smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 14911978 UVDBXFZSVHNNNX-UHFFFAOYSA-N 439.541 4.444 5 20 IIBD O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1cc(Cl)ccc1[N+](=O)[O-] 15088255 WBBNJXWLHUSBJA-UHFFFAOYSA-N 440.872 4.108 5 20 IIBD CCCCSc1nnc(S[C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])s1 17110845 CFGUYDYVQLOFNE-SNVBAGLBSA-N 428.561 4.466 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cc(C(C)C)nc2ccccc12 18023948 SABDSMMDIQXFQL-AWEZNQCLSA-N 437.452 4.459 5 20 IIBD COc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 21188462 ODFMIFNTUIKRNA-HXUWFJFHSA-N 432.885 4.325 5 20 IIBD Cc1nc(-c2cccs2)c(CC(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)s1 22037224 HHZFYUQSATVZBI-LLVKDONJSA-N 431.495 4.201 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccccc1Br 22668008 ZCZMQDDSZKDFBP-SECBINFHSA-N 427.638 4.195 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1 23599271 WLEVBHWMZOHTTP-UHFFFAOYSA-N 438.509 4.459 5 20 IIBD COc1ccc(CNc2nnc(SCCC(=O)Nc3ccc([N+](=O)[O-])cc3)s2)cc1 26416767 QGQDHGMMUKMNOC-UHFFFAOYSA-N 445.526 4.188 5 20 IIBD Cc1ccc(-c2cc(C(=O)N[C@@H](CC(=O)OC(C)C)c3ccccc3[N+](=O)[O-])on2)cc1 31224600 AWCYHQRZGLPCLT-IBGZPJMESA-N 437.452 4.371 5 20 IIBD CCN(Cc1cccc(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)c1)C(C)=O 31589517 CWLWSIIKBZYMMZ-KRWDZBQOSA-N 438.528 4.452 5 20 IIBD CCOc1cc(C(=O)Nc2nc(-c3ccccc3OC)cs2)c([N+](=O)[O-])cc1OC 31990754 CHCWMOAIJJAMOK-UHFFFAOYSA-N 429.454 4.387 5 20 IIBD CS(=O)(=O)c1ccc(NCc2ccc(Cn3cnc4ccccc43)cc2)c([N+](=O)[O-])c1 60863432 XKOHJKZXLKWQIE-UHFFFAOYSA-N 436.493 4.008 5 20 IIBD CCOc1cc(Br)c(CC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1OCC 61038698 BWNAYZMPQLAJKI-UHFFFAOYSA-N 441.253 4.475 5 20 IIBD COc1ccc(N(C)C(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1OC 64323502 APJYBTIHLIKDBD-IYBDPMFKSA-N 427.501 4.371 5 20 IIBD CC(C)[C@H](c1ccccc1)N(C)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 79035390 UBQNWURECSNVHB-QGZVFWFLSA-N 427.320 4.375 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc(N2CCSCC2)c(Cl)c1 109746382 GCFZTFUPROZHSS-UHFFFAOYSA-N 430.917 4.395 5 20 IIBD COc1cc(C(=O)N[C@H]2CCSc3c(F)cccc32)c([N+](=O)[O-])cc1OC(F)F 115378657 JNZQBSNJYXZBOO-LBPRGKRZSA-N 428.388 4.311 5 20 IIBD COc1ccc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2C)c([N+](=O)[O-])c1 219101062 MRVQLFIGMHEIRA-UHFFFAOYSA-N 431.246 4.112 5 20 IIBD COc1cccc([C@@H]2CCCN2c2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)c1 301518110 KHIHJCQXCDHGDB-SFHVURJKSA-N 426.860 4.144 5 20 IIBD CCN([C@H](c1cccnc1)c1ccc(F)c(F)c1)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] 431906182 ZORJSYDJUBLVBS-FQEVSTJZSA-N 447.463 4.377 5 20 IIBD C[C@@H]1CC[S@@](=O)CCN1C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 432448350 NVMIXJOAGDMACV-DBDZUICISA-N 438.958 4.383 5 20 IIBD COc1cccc([C@H](C)N2CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC2)c1 437162454 YZGNVJXFHUADAA-AWEZNQCLSA-N 437.418 4.141 5 20 IIBD O=C(N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 437514854 LEQYUPMXLYKKAR-KOMQPUFPSA-N 430.386 4.475 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1 439310673 VIEJPXHNOWNFTB-UHFFFAOYSA-N 441.390 4.338 5 20 IIBD COc1ccc(NC(=O)C(=O)Nc2ccc(CCCc3ccccc3)cc2)cc1[N+](=O)[O-] 439549666 NPVSCTOGFDDKSA-UHFFFAOYSA-N 433.464 4.356 5 20 IIBD O=C(NC[C@H]1CCN(CC(F)(F)F)C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 440683392 NFOOKJIWFPGFRL-CQSZACIVSA-N 439.459 4.360 5 20 IIBD COCc1nc(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1 441140109 LWHXFGZCIIONJK-UHFFFAOYSA-N 429.523 4.273 5 20 IIBD CCCN(C(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1cccc([N+](=O)[O-])c1 441471992 IEWIOUVDCWUDGT-UHFFFAOYSA-N 433.420 4.041 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 443638124 IBNTZSPDHTVVRJ-UONOGXRCSA-N 442.447 4.090 5 20 IIBD O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444087856 RMYGIGWESTZLQP-MRXNPFEDSA-N 436.414 4.380 5 20 IIBD C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 444406004 VDTCAPXEUFRRSG-BUXKBTBVSA-N 427.844 4.104 5 20 IIBD O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCN(Cc2ccc(Cl)s2)CC1 444831031 XRDDXKWQRRFFKG-UHFFFAOYSA-N 437.952 4.354 5 20 IIBD CCOc1ccc(-c2nc(C)c(-c3nc(-c4c([N+](=O)[O-])nc(C)n4C)no3)s2)cc1 445587507 LEHKIJHGEYECQF-UHFFFAOYSA-N 426.458 4.184 5 20 IIBD C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 461301229 LEWYQZHKTNYMPS-LIRRHRJNSA-N 427.432 4.032 5 20 IIBD CN(C)CCCN(Cc1ccccc1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 462472673 MNKPEKPIGRGOFG-UHFFFAOYSA-N 446.356 4.044 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Oc2ccc(Cl)cn2)cc1 464186667 XNMMCGHSQVYBNZ-UHFFFAOYSA-N 440.843 4.194 5 20 IIBD Cc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(-n2cc(Cl)cn2)n1 470313660 MZCFWNNWILEBME-UHFFFAOYSA-N 439.781 4.086 5 20 IIBD CCSCc1cc(C(=O)N(CCOC)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)no1 471347798 VSZCEAIUWQSKQO-UHFFFAOYSA-N 448.526 4.253 5 20 IIBD CC[C@H](NC(=O)c1ccc(=O)n(Cc2csc(C(C)C)n2)c1)c1cccc([N+](=O)[O-])c1 472308491 FELQGZHCEFDTSY-IBGZPJMESA-N 440.525 4.266 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1I 472928608 YMMFDLHYQAAIIK-UHFFFAOYSA-N 446.628 4.260 5 20 IIBD C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 473617857 MFYVALCNNBDITA-QUPAAXDPSA-N 427.429 4.159 5 20 IIBD O=C(NCc1nccn1CCc1ccccc1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 475187243 XBROWJNYSGLZBZ-UHFFFAOYSA-N 433.390 4.375 5 20 IIBD Cc1cc(COc2ccc(C(=O)Nc3ccc([N+](=O)[O-])c(C)n3)cc2Br)no1 475301879 WWRJDCZEPGSVFY-UHFFFAOYSA-N 447.245 4.188 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3cncc(-c4ccccc4)c3)CC2)ccc1[N+](=O)[O-] 477345350 CHQIIVIUQWVDIP-UHFFFAOYSA-N 432.480 4.018 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](CO)c1c(Cl)cccc1Cl 478488824 HHVFFRYWEPDEJH-NOZJJQNGSA-N 433.675 4.172 5 20 IIBD O=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 478552888 NTFSYIKRTSHUCH-JRGCBEDISA-N 445.441 4.285 5 20 IIBD CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 479635942 DCILGSXOCZHWSX-UHFFFAOYSA-N 431.452 4.140 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1CNCc1cccc(-c2nc(C(=O)OC)cs2)c1 480468304 ODNUSOQHDNZNGH-UHFFFAOYSA-N 427.482 4.193 5 20 IIBD O=C(Nc1cccc(I)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 480534037 XLQKMXWOHWIMAH-UHFFFAOYSA-N 437.237 4.396 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)C(=O)NCc1ccccc1 480780085 RITLYTJATFZRKQ-MRXNPFEDSA-N 435.505 4.181 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCOc3cc(Br)c(Cl)cc32)c1 482182839 VUYGMXYKKQBHOQ-UHFFFAOYSA-N 427.638 4.059 5 20 IIBD O=C(Nc1nnc(-c2ccccc2Cl)s1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 485148269 VCJPIEMXCXKLNL-UHFFFAOYSA-N 426.845 4.205 5 20 IIBD O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 485284419 JQVCAUHUVQFORK-GOSISDBHSA-N 436.295 4.464 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1 485818246 RKCUNKUYBZCNGW-LJQANCHMSA-N 449.960 4.164 5 20 IIBD O=C1CCCCN1CC1CCN(c2c([N+](=O)[O-])cnc3ccc(Br)cc23)CC1 485956071 SLYCWZWXQKFLNU-UHFFFAOYSA-N 447.333 4.134 5 20 IIBD CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] 486029536 QBQZAGJBZDAEBM-URXFXBBRSA-N 430.508 4.350 5 20 IIBD Cc1cc(C(=O)N(Cc2cc(C)nc(N3CCCCC3)n2)CC(C)C)cc([N+](=O)[O-])c1 486147522 GQHNTYVVJUPTND-UHFFFAOYSA-N 425.533 4.290 5 20 IIBD NC(=O)c1ccnc(NC[C@@H](OCc2ccccc2)c2ccc(Cl)cc2)c1[N+](=O)[O-] 488676468 OUROMTOTIQQXPF-GOSISDBHSA-N 426.860 4.112 5 20 IIBD CCc1nc(CN2CCC(CNC(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)cs1 489596727 VKIJCVLKKNWLIN-MRXNPFEDSA-N 445.589 4.195 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2ccc(OC)cc2)CC1 489898686 IPQNKMOVYFSKKP-UHFFFAOYSA-N 430.526 4.362 5 20 IIBD COc1cc(CCNC(=O)Nc2ccc(-c3ccco3)cc2F)c([N+](=O)[O-])cc1OC 490492765 OHLDUOWNUGEDOL-UHFFFAOYSA-N 429.404 4.375 5 20 IIBD Cc1cc(Br)oc1C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 492353332 IKRDTEMIOUSVOI-UHFFFAOYSA-N 436.184 4.119 5 20 IIBD CN(CC(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F)c1ccccc1[N+](=O)[O-] 493537762 ZAHCAEPVTLPGPT-MRXNPFEDSA-N 433.333 4.052 5 20 IIBD COC(=O)c1cc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)cc([N+](=O)[O-])c1 494232047 XIJSWKBGFOKSFL-QGZVFWFLSA-N 448.859 4.235 5 20 IIBD CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N[C@@H](C)c1cccc2ccccc12 497384687 HNLOTENNFRKBMK-KBXCAEBGSA-N 441.509 4.070 5 20 IIBD CCn1c(S[C@H](C)C(=O)NCCc2cccs2)nc2cc3ccccc3cc2c1=O 499428467 UONYQJSZOJEGRY-OAHLLOKOSA-N 437.590 4.471 5 20 IIBD O=[N+]([O-])c1cc(-c2nc([C@H]3CN(Cc4ccccc4)CCO3)no2)cc(C(F)(F)F)c1 500825823 GWAYQLBCRUODQM-QGZVFWFLSA-N 434.374 4.237 5 20 IIBD O=C(Nc1ccc(CCN2CCCC2)cc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 500969994 WVJHRTIMPYUGEL-UHFFFAOYSA-N 437.418 4.427 5 20 IIBD CCOc1cc(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)ccc1OC(F)F 502163173 ROTQPPRCAZRQCU-UHFFFAOYSA-N 449.454 4.128 5 20 IIBD CN(Cc1ccccc1CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 503485667 JYJRJFUSQQAKMR-UHFFFAOYSA-N 445.585 4.021 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCC(=O)N1Cc2ccccc2C1 506360643 DPVFSVBDXJOHDT-UHFFFAOYSA-N 427.526 4.149 5 20 IIBD Cn1c(COc2ccccc2Cl)nnc1Sc1ncnc2cccc([N+](=O)[O-])c12 509054143 VOWTWJAKGOPMCP-UHFFFAOYSA-N 428.861 4.050 5 20 IIBD C[C@@H]1C[C@H](CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CN1Cc1ccccc1 510128115 JZHHMRLWJFJURZ-WBVHZDCISA-N 446.345 4.388 5 20 IIBD COc1ccc([C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C(C)C)cc1 510714287 GCPUUHKXMFAYBP-LJQANCHMSA-N 436.306 4.291 5 20 IIBD Cc1cc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c2cc(Br)ccc2n1 511054891 RXTXFYROYKJZKM-UHFFFAOYSA-N 429.274 4.056 5 20 IIBD Cc1nc2ccccc2c2c(NC(=O)Cn3ncc(=O)c4ccccc43)c3ccccc3n12 512285982 MIEGLOMEQTYKJY-UHFFFAOYSA-N 433.471 4.298 5 20 IIBD CC[C@H](C)n1ncc(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)c1C 512810329 REKGEJXEZGVYLH-VIFPVBQESA-N 442.257 4.236 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 513383979 UILHZRYKYVWRAW-LLVKDONJSA-N 430.873 4.129 5 20 IIBD COc1cccc(CCNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c1 514574410 HZHPKYLDJMGOQH-UHFFFAOYSA-N 429.523 4.492 5 20 IIBD Cc1cccn2cc(-c3ccc(NC(=O)C(=O)N[C@H](C)c4cccc([N+](=O)[O-])c4)cc3)nc12 517184819 SCCUYHUIVZIZDB-MRXNPFEDSA-N 443.463 4.034 5 20 IIBD CCOc1cc(C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)n2)c([N+](=O)[O-])cc1OC 517458255 BZBHNVVWEQXCEF-UHFFFAOYSA-N 435.436 4.251 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1OCc1cn2cc(C)ccc2n1 518240749 BSZPIBGBQJYYAJ-UHFFFAOYSA-N 432.436 4.391 5 20 IIBD Cc1ncc2c(n1)CC[C@@H](NCc1ccc(-c3ccc([N+](=O)[O-])cc3Br)o1)C2 518269682 OSVSCJLCBWHXPZ-CQSZACIVSA-N 443.301 4.363 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c(Cl)c1 518354413 KGSJQHALEDXXSV-UHFFFAOYSA-N 447.904 4.034 5 20 IIBD COc1ccc(COCc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C)c2)cc1 519125190 VFURYNDKVBGSCP-UHFFFAOYSA-N 442.493 4.429 5 20 IIBD COc1cccc(Oc2ccc(CNC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)cn2)c1 520112793 VONCAHCIUAPYLQ-UHFFFAOYSA-N 432.436 4.062 5 20 IIBD COc1ccc([C@@H](Cc2ccccc2)NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 520293282 VMBGPFZNUAWHHS-JOCHJYFZSA-N 426.494 4.007 5 20 IIBD Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 520683646 XOOHVWLQSUFYJI-UHFFFAOYSA-N 447.495 4.213 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CC[C@@H](Cc4ccc(F)cc4)C3)cc2)c(C)c1[N+](=O)[O-] 522960853 ZKDGBYSHCXXKJG-FQEVSTJZSA-N 436.487 4.300 5 20 IIBD CCCCn1c(SCCOc2ccc(OC)cc2[N+](=O)[O-])nc2ccccc2c1=O 525622859 JLSTWUKMPCUWHT-UHFFFAOYSA-N 429.498 4.285 5 20 IIBD Cc1ccc(-c2ncccc2NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)s1 527091006 FSSZNGXMLYXNIC-UHFFFAOYSA-N 438.465 4.354 5 20 IIBD COC(=O)c1cc(C(=O)N(C)[C@H](c2ccc(Cl)cc2)C(F)(F)F)cc([N+](=O)[O-])c1 532087230 QXZGXOIPYQPKJS-OAHLLOKOSA-N 430.766 4.410 5 20 IIBD Cc1ccc(-c2nc(C(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)cs2)n1C 533957096 XIOJLSVMPZAYAQ-UHFFFAOYSA-N 426.498 4.049 5 20 IIBD Cc1cc(C)c(NC(=O)[C@H](C)[S@@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c(C)c1 534061168 UQBGAYNNZNOJPE-ZYSBOAIWSA-N 441.509 4.451 5 20 IIBD CSc1cccc(N(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C2CCN(C)CC2)c1 534737487 VQUKOHNXIKKXKV-UHFFFAOYSA-N 438.553 4.468 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(Br)cc1C(C)C 535506666 FQTDWIDYVRWDIQ-UHFFFAOYSA-N 429.292 4.290 5 20 IIBD CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)OC)c1ccc(F)cc1F 535689696 KZEKGFNOCCTBIA-KRWDZBQOSA-N 438.452 4.409 5 20 IIBD CN(CCCn1ccnc1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 537018229 OXJGMPJLGGFKPO-FQEVSTJZSA-N 427.892 4.147 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCO[C@H](c3cccc(Br)c3)C2)c1 538417820 VIJMGMRXDSAQJD-IBGZPJMESA-N 449.301 4.035 5 20 IIBD CC[C@@H](C)n1nc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1C 538690639 XLGNPPNJTJQSKZ-CYBMUJFWSA-N 439.438 4.052 5 20 IIBD COc1cc(C(=O)N[C@@H](CO)CC(F)(F)F)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 539982114 ISVXRCFVUAOCOT-GFCCVEGCSA-N 448.781 4.092 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 540798116 YDGDLLWDYVGSDK-UHFFFAOYSA-N 445.516 4.224 5 20 IIBD CC[C@](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1)(C(N)=O)C(C)C 541008587 JFDYWLPSOPCWGS-OAQYLSRUSA-N 449.891 4.069 5 20 IIBD C[C@@H](C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1)c1ccc([N+](=O)[O-])cc1F 542550723 HFTBDEXTWODIIH-GFCCVEGCSA-N 426.404 4.316 5 20 IIBD O=c1c2cc(Br)c(F)cc2ncn1Cc1ccc([N+](=O)[O-])cc1C(F)(F)F 543146674 POLMXTJTBGGGMF-UHFFFAOYSA-N 446.154 4.273 5 20 IIBD C[C@@H]1C[C@H](CCNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 543203329 QMRXAZJQAMCHNZ-RTBURBONSA-N 448.523 4.311 5 20 IIBD O=C(Nc1cc(-n2cnnn2)ccc1F)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 543453473 OZDLPXYRWJHLNV-UHFFFAOYSA-N 442.476 4.244 5 20 IIBD CCc1ccc([C@@H](NCc2cccc(CN3CCOCC3)c2)c2ccc([N+](=O)[O-])cc2)o1 544359184 DMZICDQSAVDXBU-VWLOTQADSA-N 435.524 4.462 5 20 IIBD CS(=O)(=O)c1cc(-c2nc(-c3ccccc3OCC3CCCC3)no2)cc([N+](=O)[O-])c1 546494398 YJFRELBUKJTNEJ-UHFFFAOYSA-N 443.481 4.284 5 20 IIBD COCCC[C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1 553580707 RRPIKNFLCVDDTL-CYBMUJFWSA-N 432.951 4.336 5 20 IIBD COCCCOc1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1OC 557461830 FTPTYDOVSPJQAS-UHFFFAOYSA-N 439.262 4.034 5 20 IIBD CCC1(CNC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CCOCC1 557727938 OMHQASMBRBWWKG-UHFFFAOYSA-N 442.537 4.484 5 20 IIBD CCN(C)C(=O)c1cccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c1 558049580 QYJNPWBMFVRSIB-IRXDYDNUSA-N 438.528 4.421 5 20 IIBD CC[C@]1(CNC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)OCCc2ccccc21 558552290 FPMCAYFIHQPLJP-RUZDIDTESA-N 448.523 4.064 5 20 IIBD CC(=O)c1cc(N2CCC(C(=O)Nc3cccc(Br)c3)CC2)ccc1[N+](=O)[O-] 561190426 WHGYFYNTAYPRHR-UHFFFAOYSA-N 446.301 4.415 5 20 IIBD O=C(N[C@@H](c1ccc(Cl)cc1)C1CCC1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 561312338 JPTIXSWSCCDSJE-OAQYLSRUSA-N 441.915 4.397 5 20 IIBD C[C@H](NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1c(F)cncc1F 561471753 ZTMLGMOCOYDIHR-OLZOCXBDSA-N 427.411 4.327 5 20 IIBD O=[N+]([O-])c1cc2c(NCc3cccc(-c4nc(CC(F)(F)F)no4)c3)ncnc2s1 566042278 ZSGDNAOYJPOTSN-UHFFFAOYSA-N 436.375 4.366 5 20 IIBD CSc1ccc([C@H](CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 566335422 XTVZVMWUMFQFRK-NRFANRHFSA-N 425.558 4.110 5 20 IIBD COc1cc([C@@H](C)NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)ccc1OC(C)C 569417198 ABRYAIOJNYIJEY-OAHLLOKOSA-N 429.473 4.056 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CNc2cccc(Oc3cnccn3)c2)c1 570205997 TYFFNTFTWXFVEG-UHFFFAOYSA-N 448.220 4.394 5 20 IIBD COc1cc(Cc2noc(Cc3csc(-c4cccs4)n3)n2)c([N+](=O)[O-])c(OC)c1 570664694 HQZIYAXABOFLQV-UHFFFAOYSA-N 444.494 4.362 5 20 IIBD O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCCc2c[nH]c3cccc(Br)c23)n1 571092511 SKVFGVDPVHEVKM-RDJZCZTQSA-N 432.322 4.351 5 20 IIBD CCCc1[nH]nc(C(=O)N[C@@H]2CCCc3c2[nH]c2ccc(Br)cc32)c1[N+](=O)[O-] 576870620 BQTIRNASOXXVFA-CQSZACIVSA-N 446.305 4.322 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(CCc2ccccc2)Cc2ccncc2)c1 579411100 KTRLBFYKVXJVRR-UHFFFAOYSA-N 425.510 4.040 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2CCC3(CCOCC3)CC2)c([N+](=O)[O-])c1 588051319 WXMSGZCPVFYSIY-UHFFFAOYSA-N 438.480 4.009 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1 590518545 ACNNRMDKUQIHKQ-UHFFFAOYSA-N 426.256 4.059 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)CSc1nnc(-c2cccs2)n1C1CC1 603906998 DMJQTWFVUMDKPK-UHFFFAOYSA-N 429.527 4.000 5 20 IIBD COc1cc(OCC(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)ccc1[N+](=O)[O-] 604457194 SAJBLIIHBJTNIO-HXUWFJFHSA-N 449.301 4.402 5 20 IIBD CC(=O)N(Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1)C1CC1 605476841 TVNFLEZVITWLQE-UHFFFAOYSA-N 439.515 4.304 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])cn1)Nc1nc2cc(Cl)ccc2n1CCCc1ccccc1 608952568 BUGVXQMRLFAYQO-UHFFFAOYSA-N 438.875 4.066 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCCNC(=O)c3cccc(C)c3)c([N+](=O)[O-])c2)cc1 608972900 SWBPGSIRTVAJSZ-UHFFFAOYSA-N 432.480 4.306 5 20 IIBD COc1ccc(CC(=O)Nc2cc(C)nn2-c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 609010196 NDOPJLZPIHBXIL-UHFFFAOYSA-N 434.374 4.298 5 20 IIBD CC(C)(C)Cc1nc2cc(NC(=O)CSc3ccc(C(N)=O)cc3[N+](=O)[O-])ccc2o1 609415673 QCBBZFZKXXQTAQ-UHFFFAOYSA-N 442.497 4.154 5 20 IIBD CCCOc1cc(NC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)c([N+](=O)[O-])cc1OCCC 609638608 PKBQGBVRYDOVCC-OAHLLOKOSA-N 431.493 4.307 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N[C@H](Cc1ccccc1)c1cccs1 609743464 PPERLXKWDHGPRC-MRXNPFEDSA-N 443.912 4.140 5 20 IIBD O=C(Nc1nn2cnnc2s1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 613559509 QODSDYMCFDCTGZ-UHFFFAOYSA-N 432.874 4.151 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 725797647 DMYPEJWNPDBCRM-UXHICEINSA-N 447.532 4.215 5 20 IIBD C[C@@H](OC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 725935555 MEPDNFIKWQXOKC-LLVKDONJSA-N 434.395 4.286 5 20 IIBD Cc1sc(NC(=O)C(C)C)c(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1C 727527204 UUUNACXCVNTVLS-UHFFFAOYSA-N 444.469 4.275 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2csc(-c3ccccc3C)n2)c([N+](=O)[O-])c1 727562154 SGXHQMQXSWZQBR-CYBMUJFWSA-N 441.465 4.219 5 20 IIBD CC(C)[C@@H](SCc1ccccc1)C(=O)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 727624440 LJCZILCQYGSKDI-QGZVFWFLSA-N 442.946 4.011 5 20 IIBD CCc1ccc(-n2nc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])c3c2CCC3)cc1 730852747 DCXOTRWDZRSJTK-HNNXBMFYSA-N 448.479 4.016 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 731269279 JRVCCSAOXTXCLY-GKCIPKSASA-N 434.448 4.431 5 20 IIBD O=C(CN1CCC([C@@H](O)c2ccc(Cl)cc2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl 731483606 GVNADUNZMRGAIS-FQEVSTJZSA-N 438.311 4.286 5 20 IIBD CN(C(=O)COC(=O)c1ccc([N+](=O)[O-])c(F)c1)[C@H](c1ccccc1)c1ccc(F)cc1 731517241 OVCXDARAFHIBJZ-JOCHJYFZSA-N 440.402 4.278 5 20 IIBD O=C(OCCOC(c1ccccc1)c1ccccc1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 731525961 MOCZDYKMWZIWEQ-UHFFFAOYSA-N 444.447 4.139 5 20 IIBD O=[N+]([O-])c1ccc(I)c(-c2nc(CCCc3ccccc3)no2)c1 731803517 WGHWNTQFQJGOFD-UHFFFAOYSA-N 435.221 4.425 5 20 IIBD CC(C)N(C)Cc1ccccc1CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] 731971667 RAZHXIZOZXIFGB-UHFFFAOYSA-N 427.473 4.043 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccc(Cl)c1 734390360 DJXSPSWEDVEULC-QFBILLFUSA-N 436.295 4.080 5 20 IIBD CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCc1cc([N+](=O)[O-])ccc1Cl 734779113 ATGZKBKZWAZOFD-JLTOFOAXSA-N 430.888 4.291 5 20 IIBD NC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)Cc1ccc(Cl)cc1[N+](=O)[O-] 734834836 AAZHBPVIWUYILH-UHFFFAOYSA-N 439.899 4.315 5 20 IIBD Cc1ccc(-n2cnnc2SCC(=O)Oc2cc([N+](=O)[O-])c(Cl)cc2C)cc1C 735646446 WYTGELYLRFLFML-UHFFFAOYSA-N 432.889 4.452 5 20 IIBD COc1ccccc1/C(C)=C/C(=O)OC1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 739382477 YDRBDQWFSJHZPT-JQIJEIRASA-N 426.469 4.228 5 20 IIBD O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 741997012 IRAJQXJNSLIYAR-CGTJXYLNSA-N 444.509 4.061 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 742775811 AZOYFQFRVGFJCG-UHFFFAOYSA-N 443.481 4.341 5 20 IIBD O=C(COC(=O)c1cc2cccc(F)c2o1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 745284518 FZIXQVIDJUGMNY-UHFFFAOYSA-N 426.278 4.294 5 20 IIBD O=C(COC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)Nc1ccc(F)c([N+](=O)[O-])c1 745348765 RWCWPOPOCUXSBO-UONOGXRCSA-N 427.215 4.326 5 20 IIBD O=Cc1ccc([N+](=O)[O-])c(OCC(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)c1 748150321 HZZNYVWGHLUTLI-HXUWFJFHSA-N 443.459 4.216 5 20 IIBD O=C(COC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(Br)cc1 750965300 QNYNITNUHUHKGL-UHFFFAOYSA-N 443.047 4.160 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1 751310303 OYSSVQABNVNCFQ-UHFFFAOYSA-N 445.884 4.302 5 20 IIBD O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1cnn(-c2ccccc2)c1C(F)(F)F 751642189 FNPOVLOWCKQWMB-UHFFFAOYSA-N 432.314 4.298 5 20 IIBD CC[C@@H](OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)C(=O)c1ccc(OC)cc1 751691168 RSDUAXIFPMDLGK-MRXNPFEDSA-N 440.221 4.323 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)NCc2ccc(OCc3ccccn3)cc2)cc1[N+](=O)[O-] 752235714 NFXFZEOPRUIILU-UHFFFAOYSA-N 447.900 4.009 5 20 IIBD Cc1ccc([C@H](C)NC(=O)CCc2nc(O)c3c4c(sc3n2)CCCC4)cc1[N+](=O)[O-] 752416204 HATJFDCFTUPNBC-ZDUSSCGKSA-N 440.525 4.302 5 20 IIBD COc1cccc(CN2CCC(Nc3ncc([N+](=O)[O-])c(C)c3Br)CC2)c1 754020032 YCZSCIWFTUVOPR-UHFFFAOYSA-N 435.322 4.146 5 20 IIBD O=C(NCc1nccn1CCc1ccccc1)Nc1ccc(Br)c([N+](=O)[O-])c1 755029972 KWPFDLHXDPVIFO-UHFFFAOYSA-N 444.289 4.118 5 20 IIBD Cc1cccc(NC(=O)[C@@H](C)OC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1C 756524823 FNOUIFCUADXEQE-CYBMUJFWSA-N 435.274 4.087 5 20 IIBD Cc1cc(F)cc(C(=O)N2CCC([C@H]3CCCN3C(=O)OC(C)(C)C)CC2)c1[N+](=O)[O-] 758463178 APAWLGHHZRKQRI-GOSISDBHSA-N 435.496 4.294 5 20 IIBD CCN(CC)CCN(CCC(F)(F)F)C(=O)c1cccc([N+](=O)[O-])c1Br 758642168 RPCOACVKLPABQA-UHFFFAOYSA-N 440.260 4.094 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)O[C@@H](C(=O)NCc1ccccc1)c1ccccc1 758730407 FIJRMSRDCNAOMW-XMMPIXPASA-N 443.459 4.220 5 20 IIBD C[C@@H](OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)Nc1ccc(C(F)(F)F)cc1 758730427 GGRMROBGIQMZQH-LLVKDONJSA-N 435.358 4.208 5 20 IIBD O=C(Nc1ccccc1C(=O)Nc1n[nH]c(C2CCC2)n1)c1ccc([N+](=O)[O-])cc1Cl 760030347 IXALNVUXUVVYIM-UHFFFAOYSA-N 440.847 4.138 5 20 IIBD COc1ccc(CSCc2nc(-c3cccc(N4CCOC4=O)c3)no2)cc1[N+](=O)[O-] 762198109 JIUAKBJCZCNHQN-UHFFFAOYSA-N 442.453 4.043 5 20 IIBD CC[C@@H](OC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1c(F)cccc1Cl 766822739 YDXFKPQQLAXGTI-MRXNPFEDSA-N 434.807 4.349 5 20 IIBD COc1ccccc1COc1cccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1C 768889068 NQGFTNILLBNKPK-UHFFFAOYSA-N 434.495 4.353 5 20 IIBD CC(=O)N1CCCCC[C@@H]1C1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 769402195 WPIILLUZBPBTSB-LJQANCHMSA-N 438.366 4.360 5 20 IIBD COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)CC3 770020323 QVRPNKWLWKTWFJ-UHFFFAOYSA-N 428.832 4.106 5 20 IIBD Cc1c(Cc2nc(CC(=O)Nc3ccc(SC(F)F)cc3)no2)cccc1[N+](=O)[O-] 770962286 KKGKIVROFZRBTQ-UHFFFAOYSA-N 434.424 4.373 5 20 IIBD CCO[C@H]1C[C@@H](OC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C12CCOCC2 770995622 OMRIKEFWTHJJHL-FCHUYYIVSA-N 440.496 4.338 5 20 IIBD CCc1nc(C(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])nn1-c1ccccc1F 776134303 AQKGFMQEMXLEFN-OAQYLSRUSA-N 447.426 4.218 5 20 IIBD CC(C)(C)OC(=O)NC[C@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCCC1 779198033 QFCHPKMLAGAXTE-SFHVURJKSA-N 445.520 4.208 5 20 IIBD C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCOC1 781029664 RPLFBFOKHCNMMM-UONOGXRCSA-N 431.876 4.045 5 20 IIBD COc1ccccc1[C@@H](C)CC(=O)Oc1cc([N+](=O)[O-])ccc1I 781748098 XVTOFXDMVKPJFU-NSHDSACASA-N 441.221 4.307 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccccc2NC(=O)OCc2ccccc2)cc([N+](=O)[O-])c1 781977243 IIRULMSRVYUMTP-UHFFFAOYSA-N 449.419 4.382 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCN(c2ncc(Cl)cc2Cl)CC1 787811737 MNWHCRNKRZBSJY-UHFFFAOYSA-N 430.679 4.304 5 20 IIBD CCN(c1ccc2[nH]ccc2c1)S(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1C 788062632 NPQKAXVRMQPZEH-UHFFFAOYSA-N 438.303 4.362 5 20 IIBD C[C@H]1C[C@@H](NC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)O1 788440190 LNCPAQICEVRODB-GXFFZTMASA-N 440.399 4.199 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1cc(Cl)ccc1N1CCOCC1 790627952 VTHVXEGEYRTZHS-UHFFFAOYSA-N 428.247 4.059 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc(F)c(F)cc1C(=O)c1ccccc1 792277437 AKQGDPJWQGHOGL-UHFFFAOYSA-N 442.330 4.369 5 20 IIBD C[C@@H](NC(=O)COc1cc(F)c([N+](=O)[O-])cc1Cl)c1ccc(Br)cc1 795247085 CLMVAARGCJKWMH-SECBINFHSA-N 431.645 4.406 5 20 IIBD Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 798788148 ZVVJSVVAEZOCJY-UHFFFAOYSA-N 429.820 4.222 5 20 IIBD C[C@H](OC(=O)[C@@H](C)Sc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 799842330 BQRYXFNHOKXLMH-WDEREUQCSA-N 426.853 4.438 5 20 IIBD CCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@H](c1cccnc1)c1ccc(F)c(C)c1 801880692 WKCPGTIHFVQBNP-NRFANRHFSA-N 426.423 4.410 5 20 IIBD CC[C@@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 804782731 PBNAFLPZFZXQAF-CYBMUJFWSA-N 430.429 4.172 5 20 IIBD CN(C)C(=O)Sc1cc(NC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)ccc1Cl 805441221 NATKGACATHKBMY-UHFFFAOYSA-N 437.890 4.279 5 20 IIBD COc1ccc(OCCOC(=O)Cc2c(C(C)=O)oc3cc(C)ccc23)c([N+](=O)[O-])c1 805665417 MKDKBYKKOCWMIF-UHFFFAOYSA-N 427.409 4.025 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 807530990 IPVHKQFHMRAIDD-UHFFFAOYSA-N 442.422 4.007 5 20 IIBD CCN(C)C(=O)CSc1ccc([C@H](C)OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 809078863 WBBVTDLQHKKEIU-KAMPRCONSA-N 428.510 4.483 5 20 IIBD O=c1c2cc(Br)ccc2ncn1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 809948679 JPKAZPHRBMSMKP-UHFFFAOYSA-N 429.057 4.422 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OC[C@H]1CCN(c2ccccc2F)C1 810919259 SFHHIGVKCCZPHO-HNNXBMFYSA-N 434.489 4.156 5 20 IIBD CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)OCc1cc(Cl)cc(Cl)c1 811100848 GOHHXSMPOYPGGU-CYBMUJFWSA-N 447.296 4.090 5 20 IIBD C[C@@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1ccc(N2CCCCC2=O)cc1 811868477 VFUSZXZUWIGMJK-MRXNPFEDSA-N 447.495 4.249 5 20 IIBD C[C@@H](C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cccc(Br)c1 812609169 YAINTPMGZJMXNW-LLVKDONJSA-N 432.230 4.254 5 20 IIBD COc1cccc(CN2CCC(NC(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC2)c1 813418060 XIFOIMYNQCTRGZ-UHFFFAOYSA-N 438.311 4.305 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 813443265 BXUBFMSJXZOMRO-LLVKDONJSA-N 432.304 4.279 5 20 IIBD O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 813846909 SJQZXOSXEPNSQP-INIZCTEOSA-N 430.766 4.361 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1ccc(N2CCCOC2=O)cc1 814350648 SDSINORKNAIYFT-GJZGRUSLSA-N 429.498 4.300 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCCCn1c(S)nc2ccccc2c1=O 843017323 BJRVMRUZRGINDN-UHFFFAOYSA-N 426.498 4.101 5 20 IIBD CCOc1ccc(C(=O)O[C@H](C(=O)Nc2cccc3ncccc23)C(C)C)cc1[N+](=O)[O-] 877878017 IUEAWVSRHLFPPT-NRFANRHFSA-N 437.452 4.362 5 20 IIBD C[C@@H](Oc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1)c1ccccc1 915810761 ILEAMTPFBBTVKU-GOSISDBHSA-N 432.480 4.092 5 20 IIBD C[C@H]1CN(Cc2ccccc2NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)C[C@H](C)O1 916448467 OTWMDWPVQQWKPM-KBPBESRZSA-N 448.317 4.219 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2c(C(N)=O)oc3ccccc23)cc1[N+](=O)[O-])c1ccccn1 919709860 RJHGATSEEQJTSD-CYBMUJFWSA-N 445.435 4.260 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 919868092 QNYFYMGQCRRAHB-UHFFFAOYSA-N 426.473 4.157 5 20 IIBD COc1cc(C(=O)Nc2ccc(N(C)C)c(C)c2)c([N+](=O)[O-])cc1OCc1cscn1 919882508 LNHOKAZNTBNXTQ-UHFFFAOYSA-N 442.497 4.266 5 20 IIBD O=C(OCCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cncc(Br)c1 920146831 LFBVDTHWZSQISR-UHFFFAOYSA-N 435.152 4.007 5 20 IIBD O=C(CCc1ccc(-c2ccccc2)o1)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 920148281 SRSTVSTUBKHMFL-UHFFFAOYSA-N 442.855 4.414 5 20 IIBD CCO[C@H](C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccccc1 920691022 VHFDXZUGPAEEPA-PXAZEXFGSA-N 440.374 4.262 5 20 IIBD COc1cc(OCC(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)ccc1[N+](=O)[O-] 921000503 OEEUPYUGRHKGSI-UHFFFAOYSA-N 435.436 4.182 5 20 IIBD Cc1c(CC(=O)NCCSc2ncc(C(F)(F)F)cc2Cl)cccc1[N+](=O)[O-] 1120715782 DYOLIXBFGBQQNF-UHFFFAOYSA-N 433.839 4.421 5 20 IIBD COc1cc(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc(Cl)c1OC 1121314042 XPFMYRREXURJIH-UHFFFAOYSA-N 431.297 4.327 5 20 IIBD O=C(c1ccc(I)c(Cl)c1)N1Cc2ccc([N+](=O)[O-])cc2C1 1252621684 CXENLTNBTYYNBH-UHFFFAOYSA-N 428.613 4.009 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](c1ccccc1)c1noc(CCNc2ccccc2[N+](=O)[O-])n1 1321814551 MWGYLWIBEAMPIN-IBGZPJMESA-N 439.472 4.247 5 20 IIBD Cc1nc(N2CCOCC2)sc1-c1nnc(-c2cc3cc([N+](=O)[O-])ccc3s2)o1 1322836172 LQKLZKRXZIALHJ-UHFFFAOYSA-N 429.483 4.128 5 20 IIBD Cc1cccc(CN2CCCC[C@@H]2C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 1328769518 GEUMCSDMTVUBOH-HXUWFJFHSA-N 445.903 4.093 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)CC1 1349584911 HMMNCKXDFUYXNJ-UHFFFAOYSA-N 430.505 4.349 5 20 IIBD O=C(CC1CCC1)NC1(c2ccc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCC4)cc2)CCC1 1790045103 FGOSHMNOFIMTNJ-UHFFFAOYSA-N 449.507 4.468 5 20 IIBD Cc1ncccc1C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)CCC1 1790621877 CZLMYVPWIGODMK-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD CC[C@H](C)CC(=O)NC1(c2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc2)CCC1 1790755696 RYJUVWNMGUGAOA-HNNXBMFYSA-N 425.485 4.484 5 20 IIBD CC(F)(F)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823610857 OQSCZTPAHVVDOG-HNNXBMFYSA-N 441.475 4.103 5 20 IIBD CC(C)(C)CC(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1823680430 VYHLRAASWPDELQ-OAQYLSRUSA-N 429.561 4.193 5 20 IIBD COc1ccc([C@@H](N[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c2ccccc2)cc1 10352046 NNKPOWMIMQVJGP-HJPURHCSSA-N 435.480 4.318 5 20 IIBD Cc1ccc(C)c(NC(=O)Cc2nc(COC(=O)c3cccc([N+](=O)[O-])c3)cs2)c1 11026079 HIDKHTGTTGKMJZ-UHFFFAOYSA-N 425.466 4.206 5 20 IIBD COc1cc(C(=O)NCCc2ccc(-c3csc(C)n3)cc2)c([N+](=O)[O-])cc1OC 12620741 BVPLGWZVJOCUKE-UHFFFAOYSA-N 427.482 4.016 5 20 IIBD COc1ccc([N+](=O)[O-])cc1OCC(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 14070053 NASJXRDJAKPJNK-MRXNPFEDSA-N 449.463 4.112 5 20 IIBD C[C@@H](OC(=O)CCc1ncc(-c2ccccc2)o1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 14401498 VZAMANVYUUQRCC-CYBMUJFWSA-N 443.843 4.406 5 20 IIBD O=C(CCc1ncc(-c2ccccc2)o1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 14529858 BTAOUUHPLMGQOL-UHFFFAOYSA-N 448.401 4.430 5 20 IIBD COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Sc2nc3ccc([N+](=O)[O-])cc3s2)c1 23214217 OPSIVPHDESIIRM-LLVKDONJSA-N 431.495 4.419 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(NC(=O)c3cccs3)c2)c1C 24103349 HITFCSHRAZBRSG-UHFFFAOYSA-N 431.495 4.326 5 20 IIBD NC(=O)c1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)c1 25332631 CWYYXEALSMJCBM-UHFFFAOYSA-N 441.896 4.428 5 20 IIBD CC(=O)Oc1ccc(-c2ccc(C(=O)O[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1 28606053 JXNCUGNPMGTADH-OAHLLOKOSA-N 448.431 4.371 5 20 IIBD O=C(Cn1nc(-c2cccs2)c2ccccc2c1=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 29465622 WWMBGUVDRLPAHR-UHFFFAOYSA-N 440.868 4.325 5 20 IIBD CC[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)N1CCc2ccccc2C1 29912252 NWEXXCQPNUWLQW-QFIPXVFZSA-N 439.559 4.108 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cccc(C(=O)N2CCCC2)c1 30479372 WAPUIZMBKCYMFO-UHFFFAOYSA-N 425.488 4.029 5 20 IIBD CCOc1cc(C(=O)NCc2cccnc2Oc2cccc(F)c2)c([N+](=O)[O-])cc1OC 58819822 KXVQUJAGPOFEDG-UHFFFAOYSA-N 441.415 4.259 5 20 IIBD Cc1nc(C2(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)CCCCCC2)no1 64908526 JZVMHEMVPSXIGT-UHFFFAOYSA-N 427.486 4.389 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NC[C@H](c3ccco3)N(C)C)cc2[N+](=O)[O-])n1 69040093 BZKUVYLXQSDALQ-OAHLLOKOSA-N 432.527 4.137 5 20 IIBD CC(C)(C)c1ccc([C@H]2CCCN2C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 71934839 JJBRJANWYIPASF-GOSISDBHSA-N 441.553 4.447 5 20 IIBD COc1ccccc1NC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 301349089 LTMMUXDXJKUJEP-UHFFFAOYSA-N 434.290 4.221 5 20 IIBD C[C@H](Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1ccc(-n2cccn2)cc1 301448530 PBMZZGLACGTQJW-AWEZNQCLSA-N 436.859 4.153 5 20 IIBD Cc1nc(N[C@@H]2CCc3c(O)cccc32)nc(N[C@H]2CCc3c(O)cccc32)c1[N+](=O)[O-] 301988005 LHTGDEIQJZXKRO-ZWKOTPCHSA-N 433.468 4.303 5 20 IIBD Cc1csc(-c2cccc(S(=O)(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)c2)n1 409500633 KUWDZFOBTAHLKC-UHFFFAOYSA-N 429.523 4.380 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)c(F)c1 409590532 CTOFNDSWAVEITG-UHFFFAOYSA-N 445.259 4.086 5 20 IIBD COc1cc(F)c(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc1OC 410028085 IWTONFBQJGPVAZ-KBPBESRZSA-N 431.464 4.486 5 20 IIBD O=C(NCc1nc(-c2cccc(Cl)c2)no1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 426474257 SUIHBLUPVFLMCG-UHFFFAOYSA-N 427.848 4.172 5 20 IIBD CC(=O)N1CCC(N(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)Cc2cncs2)CC1 430194747 KQFLEZMLBGMWGA-UHFFFAOYSA-N 440.525 4.324 5 20 IIBD CN(C)[C@H]1CCCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 430379516 UFLFQXCBJWEXCW-SFHVURJKSA-N 430.936 4.417 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(-n3ncc(C(=O)O)c3C(F)(F)F)c2)c1 431646282 BNVZETIIAXXAAW-UHFFFAOYSA-N 434.330 4.058 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H](C(=O)O)c1ccc(Cl)c(F)c1 431773021 NLQGZXMTPAGFIK-OAHLLOKOSA-N 433.244 4.075 5 20 IIBD CC(C)COc1ccc(NC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)cc1Cl 431908280 ZYFBAARNHREBEJ-UHFFFAOYSA-N 445.859 4.189 5 20 IIBD CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])cc21 432923746 UKIGBVPJOZUPSG-UHFFFAOYSA-N 440.500 4.423 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)c1[N+](=O)[O-] 432966497 LGEXDFYOBFXKOM-UHFFFAOYSA-N 432.433 4.079 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2C[C@@H](c3ccccc3)C(C)(C)C2)ccc1[N+](=O)[O-] 434245971 OQSJJPWKAWBSSP-UNMCSNQZSA-N 435.524 4.160 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 434969339 QSOAHMGJGBACFH-CYBMUJFWSA-N 428.436 4.202 5 20 IIBD Cc1c(CC(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cccc1[N+](=O)[O-] 438837693 SODSUBNYFKUEQW-UHFFFAOYSA-N 433.867 4.116 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1ccccc1)Cc1ccccc1 439822555 JZSWSMZIGUKRNT-UHFFFAOYSA-N 433.464 4.161 5 20 IIBD CC[C@@H](c1ccc(F)cc1F)N1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 441482860 DZJAGDZUOFPFOT-FQEVSTJZSA-N 443.454 4.192 5 20 IIBD Cc1cc(=O)c(C(=O)N2C[C@H](C(C)(C)C)c3ccccc32)nn1-c1ccccc1[N+](=O)[O-] 443858865 LLJHADZJEWUGLO-KRWDZBQOSA-N 432.480 4.239 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1ccnc(Oc2ccccc2Cl)c1 444503277 CDZQFYQMUYSIDX-UHFFFAOYSA-N 440.843 4.033 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1 444927476 WMORUYJRCUNDIQ-UHFFFAOYSA-N 438.831 4.005 5 20 IIBD Cc1cccc(C)c1NC(=O)Cc1noc(-c2ccc([N+](=O)[O-])cc2Br)n1 445316425 FYAOIOKOIIYAOU-UHFFFAOYSA-N 431.246 4.205 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(Cc3csc(Cc4ccc(F)cc4)n3)n2)c1 445577074 ZJNXORZKPHZJQU-UHFFFAOYSA-N 440.456 4.354 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 446012901 RBKRFUKQVYJZTD-IEBWSBKVSA-N 437.265 4.075 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](c2ccccc2Cl)OC[C@@H]1C 460229926 FIGUDYIHOQGNBR-IFXJQAMLSA-N 427.892 4.493 5 20 IIBD CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 460354929 VDLUCDFKBHHRIZ-QFIPXVFZSA-N 441.553 4.286 5 20 IIBD O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NCCc1ccccc1[N+](=O)[O-] 460501728 YUCAECXWFHNCHG-UHFFFAOYSA-N 431.901 4.185 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCC[C@H](CC(=O)OC(C)C)C3)cc2[N+](=O)[O-])CC1 463934284 YJKADJAIHQBGET-GOSISDBHSA-N 431.533 4.025 5 20 IIBD C[C@H]1SCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)[C@H]1c1ccccc1 464427196 OYWQNLNXCRWLMH-JLTOFOAXSA-N 429.523 4.010 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN(c3cccc(CO)c3)C3Cc4ccccc4C3)o2)cc1 470871785 GLKRJOSIHQABMC-UHFFFAOYSA-N 442.475 4.311 5 20 IIBD O=C(Nc1cc(Br)ccc1NC1CC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 471142618 OQMWBEOCUZBAHT-UHFFFAOYSA-N 442.273 4.370 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCc2cc(-c3ccccc3)oc2C1 473550657 LEZSUICCFXWYPR-UHFFFAOYSA-N 447.447 4.128 5 20 IIBD Cc1nc(NC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)ccc1[N+](=O)[O-] 475322712 RMVRCKGSANHLMN-UHFFFAOYSA-N 442.541 4.339 5 20 IIBD COc1ccccc1-c1nc(C2CCN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC2)no1 477802431 NNDOBTFZQXMJJI-UHFFFAOYSA-N 448.439 4.087 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NC[C@H](C)C(F)(F)F)cc1[N+](=O)[O-] 479389855 VWMAWYLWCFPRKN-NSHDSACASA-N 426.416 4.476 5 20 IIBD CCOC(=O)c1c(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)sc2c1CCCC2 480327003 LQDDSRUBCYUQDU-UHFFFAOYSA-N 441.465 4.218 5 20 IIBD CCOc1cc(CN(C)S(=O)(=O)c2c([N+](=O)[O-])ccc(C)c2C)ccc1OC(F)F 480954581 MFHPWEBCMDJFAS-UHFFFAOYSA-N 444.456 4.032 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1-c1nc(COc2ccc(I)cc2)no1 482590113 GZBHRQSQBDAWAZ-UHFFFAOYSA-N 437.193 4.137 5 20 IIBD CCOc1cc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)ccc1OC(F)F 483858485 RNYVBCNJIVARRH-UHFFFAOYSA-N 446.353 4.469 5 20 IIBD Cc1cc(N2CCCC2)ccc1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 485315289 OUYPOELIEPFOPZ-UHFFFAOYSA-N 440.319 4.067 5 20 IIBD COc1cc(OCC(=O)Nc2c(C)c(C)nn2-c2ccc(Cl)cc2)ccc1[N+](=O)[O-] 485852497 XFMUGLGDBZKGNB-UHFFFAOYSA-N 430.848 4.077 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@H](C)[C@@H](OC)c2ccccc2Cl)c(C)c([N+](=O)[O-])c1 486884286 UHYIUQZVEKWDRR-KZULUSFZSA-N 435.864 4.241 5 20 IIBD COc1ccc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1OC1CCCC1 488767433 WOFCLPMINBRGET-UHFFFAOYSA-N 440.905 4.057 5 20 IIBD CCOC(=O)[C@@H]1CCCc2sc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)nc21 493322811 RSMZWDOMKMCKDW-GFCCVEGCSA-N 435.477 4.090 5 20 IIBD CC(C)n1cc2c(n1)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)CC2 493903417 NXHGGGFZXKFHLG-LJQANCHMSA-N 433.512 4.272 5 20 IIBD O=[N+]([O-])c1ccccc1CN(C1CC1)S(=O)(=O)c1cccc(Cl)c1Br 493909378 VORNSDDGDOPXBY-UHFFFAOYSA-N 445.722 4.364 5 20 IIBD COc1cc(C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c([N+](=O)[O-])cc1OCc1cscn1 494063098 RUFCUMSEXHWHOS-RZLSGREXSA-N 431.514 4.193 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccc2nc(C(F)F)sc2c1 499510342 GFJQQYVNBVWPFC-UHFFFAOYSA-N 440.815 4.050 5 20 IIBD COc1cc(CSCc2cccc(C(=O)N(C)C)c2)c([N+](=O)[O-])cc1OCC(F)F 502646618 HFWKSELYGQCQIR-UHFFFAOYSA-N 440.468 4.383 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CC)CS(=O)(=O)c1ccccc1 503638129 RONLEKPGGMLWBM-OAHLLOKOSA-N 436.555 4.079 5 20 IIBD C[C@@H](NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)c1cc2ccccc2s1 504475220 KHAHCAFNSRDUJH-CYBMUJFWSA-N 444.538 4.100 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)nnc1-c1ccccc1OC 505228017 ZVXXJIIGCVCNDK-AWEZNQCLSA-N 441.513 4.310 5 20 IIBD COCCn1c(Sc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)nc2cc(Cl)ccc21 506831976 KZDQWVUELVLZIB-UHFFFAOYSA-N 432.889 4.280 5 20 IIBD CCCN1CC[C@H](CNc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])C1 506994922 LWNKXRYSLFGPAX-GOSISDBHSA-N 446.573 4.156 5 20 IIBD Cc1ccc(CC(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 507600516 ZOZZANPPWIUVFO-UHFFFAOYSA-N 439.493 4.194 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(Oc2ccc(F)cc2)c(Br)c1 508300402 OJIUWLJDBNRSPP-UHFFFAOYSA-N 449.236 4.432 5 20 IIBD Cc1ccc([C@H]2OCCC[C@H]2Nc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)cc1 509553724 OEBGPAZPQZNVFC-WIYYLYMNSA-N 440.887 4.435 5 20 IIBD COc1cc(CNC[C@@H](c2ccccc2)N2CCc3sccc3C2)c([N+](=O)[O-])cc1O 509602645 PFYQZEWTRGXBNE-FQEVSTJZSA-N 439.537 4.260 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 509717331 ANSTYJNHINLVGY-UHFFFAOYSA-N 434.496 4.082 5 20 IIBD CC(C)(C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1)n1cc([N+](=O)[O-])cn1 510583752 ZHFHTOMBJDONHV-UHFFFAOYSA-N 435.362 4.371 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@@H](C[C@@H]3CCOC3)c3ccccc3)cc2)c(C)c1[N+](=O)[O-] 512192421 CGTQPQOCHSKWRY-REWPJTCUSA-N 448.523 4.354 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CC[C@@](F)(c2cccc(Cl)c2)C1 512403814 FMBXEXLQORHIEJ-NRFANRHFSA-N 447.850 4.034 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)Cc1nc2cc(-c3ccc(F)cc3)sc2c(=O)[nH]1 515436173 LSMZCLSGYKUQER-UHFFFAOYSA-N 438.484 4.373 5 20 IIBD O=C(c1c(Cl)cccc1Cl)N1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1 515607327 KDLGMKHEEWDVNY-UHFFFAOYSA-N 431.279 4.412 5 20 IIBD O=C(Nc1ccccc1CS(=O)(=O)c1ccccc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 518662088 XRPLLWJVOQXCLR-UHFFFAOYSA-N 435.461 4.302 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCOc1ccc(Br)cc1 520962064 VICQTJLTCAEOON-GFCCVEGCSA-N 425.304 4.033 5 20 IIBD COc1ccc(S(=O)(=O)N(Cc2cccc(C(F)(F)F)c2)C(C)C)cc1[N+](=O)[O-] 521156299 ZBQAHTPTCMSMSN-UHFFFAOYSA-N 432.420 4.222 5 20 IIBD Cc1ccc(C[C@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ccccn2)cc1 522374393 VNESYWKXTIDPJS-SFHVURJKSA-N 431.901 4.214 5 20 IIBD COc1ccc(CC[C@H]2CCCCN2S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC 523155041 BJDIVHYYKPUAPU-GOSISDBHSA-N 448.541 4.096 5 20 IIBD Cc1cc(S(=O)(=O)N2CCC[C@H]2c2cccc(Br)c2)ccc1[N+](=O)[O-] 523758026 KQWXUWVBKKZCFG-KRWDZBQOSA-N 425.304 4.192 5 20 IIBD COc1cc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c([N+](=O)[O-])cc1OC(F)F 524027898 ZKGSUZBWDQJZPN-UHFFFAOYSA-N 441.412 4.069 5 20 IIBD Cc1nn(CCC(=O)Nc2ccc(Sc3nc4ccccc4[nH]3)cc2)c(C)c1[N+](=O)[O-] 524429244 VZBLYJCFKSGQER-UHFFFAOYSA-N 436.497 4.464 5 20 IIBD COc1cc(CNc2cccc(CS(=O)(=O)Cc3ccccc3)c2)c([N+](=O)[O-])cc1O 532742795 NDNMCFYTHQMZKL-UHFFFAOYSA-N 442.493 4.036 5 20 IIBD CN1CC[C@@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@@H]1c1ccc(Cl)c(F)c1 534975716 ITTXWZAHHGNOHX-QKKBWIMNSA-N 432.883 4.377 5 20 IIBD CCN(C(=O)[C@@H](C)[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCCC1 535512087 WRCOGIQTXGKASS-FOGNVHKLSA-N 433.530 4.068 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@H]1CCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 535552962 KNZOIDUFOYPYRN-HXUWFJFHSA-N 436.468 4.170 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2cccnc2)cs1 535663310 YTMQNIQQNKHWHN-UHFFFAOYSA-N 444.494 4.021 5 20 IIBD CCS(=O)(=O)Nc1ccc(NCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)cc1 536107396 NXORAQUTZGKQTH-UHFFFAOYSA-N 431.470 4.237 5 20 IIBD C[C@@H](NC[C@@H](O)COc1ccc(Cl)cc1Br)c1cccc([N+](=O)[O-])c1 539281256 SGAOSFYFEGSNQH-IAQYHMDHSA-N 429.698 4.101 5 20 IIBD Cc1cc(C(=O)NCC(=O)Nc2ccccc2Oc2cc(F)cc(F)c2)ccc1[N+](=O)[O-] 541097734 DSUUDTAMHRFJGW-UHFFFAOYSA-N 441.390 4.342 5 20 IIBD CC(C)(C)OC(=O)c1ccc(Br)c(NC(=O)Cc2cccc([N+](=O)[O-])c2)c1 542562029 LPHVHXWZIVZRSE-UHFFFAOYSA-N 435.274 4.494 5 20 IIBD COc1ccc(Cc2noc(-c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)n2)cc1OC(F)F 544228058 ATJIGCUPHIIKMA-UHFFFAOYSA-N 443.366 4.031 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2nc(-c3ccccc3)cs2)c([N+](=O)[O-])c1 544490533 WOXCDWKMIKDPIF-KGLIPLIRSA-N 426.498 4.405 5 20 IIBD COc1cc(-c2noc([C@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)ccc1OCCN(C)C 545572521 CBSYJZRIZISDBB-AWEZNQCLSA-N 444.513 4.447 5 20 IIBD CC(C)c1ccc([C@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])N2CCc3sccc3C2)cc1 548930249 HQAWBEDAAKBJBO-IBGZPJMESA-N 439.541 4.032 5 20 IIBD CCC1(CC)CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCOC2)CCS1 549588366 YLXCPAYQHJASOK-INIZCTEOSA-N 431.562 4.002 5 20 IIBD CCc1nc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCCO2)cs1 549998068 OCIZFEKAZOCPFS-GOSISDBHSA-N 442.545 4.078 5 20 IIBD COc1cc(C(=O)N2CC[C@](F)(c3cc(F)cc(F)c3)C2)c([N+](=O)[O-])cc1OC(F)F 551362095 IERCNGDGKUVRTI-LJQANCHMSA-N 446.328 4.194 5 20 IIBD O=C(c1ccc(NCc2ccc(OC3CCCC3)cc2)c([N+](=O)[O-])c1)N1CCOCC1 552503365 VRRBEPOGEZEHPX-UHFFFAOYSA-N 425.485 4.001 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N[C@H]2CCN(c3ccccc3F)C2)cc1[N+](=O)[O-])c1ccccn1 553623195 OLLPBBKXTMJGIE-AEFFLSMTSA-N 449.486 4.311 5 20 IIBD CCCOc1cc(NC(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4OC)c([N+](=O)[O-])cc1OCCC 554359426 NNLZCLVPUXHCBL-SPYXRDKXSA-N 433.505 4.060 5 20 IIBD COc1cc(CNC2(Cc3cccc(F)c3)CCOCC2)c([N+](=O)[O-])cc1OC(F)F 555618433 OQWMLJZUSDMGFJ-UHFFFAOYSA-N 440.418 4.225 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(N(C(C)=O)[C@@H]3C[C@H]3C)cc2)cc1SC 561374933 PSQZJPZXAWRDRY-SJKOYZFVSA-N 429.498 4.339 5 20 IIBD Cc1ccc(Cl)cc1N1CC[C@@H](CN[C@@H](c2cccc([N+](=O)[O-])c2)c2nccn2C)C1 563691262 CVPUDZXCZCFZLJ-JTSKRJEESA-N 439.947 4.496 5 20 IIBD CC(C)[C@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCCO1 576187768 AOGAFMGPHRIZIM-LJQANCHMSA-N 443.466 4.104 5 20 IIBD CCc1c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)nnn1Cc1ccc(F)cc1 580944750 GFCBOXBSAUYSPS-UHFFFAOYSA-N 425.445 4.403 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc([C@H]3C[C@@]34CCc3cc(Br)ccc34)n2)nc1 582028854 LHFPKONHXVUSSH-VQIMIIECSA-N 427.258 4.098 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)Nc1ccccc1OC(F)F)c1ccccc1[N+](=O)[O-] 584251407 OPIVHVKMTGMLNU-OAHLLOKOSA-N 437.399 4.401 5 20 IIBD C[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)c(Br)c1 590194682 FLWHRZFBQBBMLW-SECBINFHSA-N 430.661 4.439 5 20 IIBD Cc1occc1C(=O)Nc1cc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)ccc1F 603757220 YBCGMKQQYNLMNU-UHFFFAOYSA-N 449.398 4.326 5 20 IIBD COc1ccc2[nH]cc(C3=CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4Cl)CC3)c2c1 604032069 ISZAQXRSYURWJG-UHFFFAOYSA-N 447.900 4.216 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 604473570 NBUWVUBKQOOZLP-QWRGUYRKSA-N 448.385 4.345 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N(CCc1ccccn1)Cc1ccc(F)cc1 608881179 SRLUUKYYDVNKBO-UHFFFAOYSA-N 445.454 4.200 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)NCC2(c3ccc(Cl)cc3)CCC2)cc1OC 608882089 QRRKVLWCGICQLE-UHFFFAOYSA-N 448.903 4.134 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]1c1cccc2c1OCCO2 608969475 AQLKHRPADISVFU-CJNGLKHVSA-N 432.860 4.150 5 20 IIBD O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1 609880714 JGYQWYNZAWMASC-LJQANCHMSA-N 425.876 4.414 5 20 IIBD COc1ccc([C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2Br)C(C)C)cc1 609961762 DLTPQFAFHAVBLL-LJQANCHMSA-N 437.290 4.258 5 20 IIBD O=C(CSc1nnc(-c2ccc3ccccc3c2)o1)N1CCc2c1cccc2[N+](=O)[O-] 609973408 LJJACEWLOVKZJK-UHFFFAOYSA-N 432.461 4.479 5 20 IIBD O=C(NCC1(c2ccc(Br)cc2)CCCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 609981040 ZXIGSEPGRPBIGD-UHFFFAOYSA-N 447.285 4.328 5 20 IIBD CC(C)(C(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 610041031 IHHNNVGPZVNPPD-UHFFFAOYSA-N 431.492 4.484 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1I 610046854 YMZPIOBRZHHARK-UHFFFAOYSA-N 442.228 4.091 5 20 IIBD CN(CC(=O)N(C)C1CCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 611200395 LRKGJYQHSFYANW-UHFFFAOYSA-N 438.528 4.070 5 20 IIBD CCOc1ccc(C(=O)N2CCCCC2)cc1NCc1cc2c(cc1[N+](=O)[O-])OCCO2 611287976 KBEKBWIUTYWAHI-UHFFFAOYSA-N 441.484 4.003 5 20 IIBD O=C(O)C[C@@H]1CCCCN1C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 611526563 UQLOETROUVETGW-INIZCTEOSA-N 431.876 4.330 5 20 IIBD CCOC(=O)c1c(NC(=O)CSc2ccc([N+](=O)[O-])cc2F)sc(C(C)=O)c1C 618963240 KVVWBLDBEFCWKO-UHFFFAOYSA-N 440.474 4.214 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)NCCCCc2nc(-c3cccnc3)cs2)c1 619806381 QNPZDEGUUAAQMC-UHFFFAOYSA-N 426.498 4.265 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC([C@H]4CCOC4)CC3)n2Cc2cccs2)c1 619854948 RNDYOQYYSFKGTP-SFHVURJKSA-N 439.541 4.216 5 20 IIBD Cc1c(NC(=O)[C@@H](C)N2CCO[C@H](c3ccccc3Br)C2)cccc1[N+](=O)[O-] 725809363 PANXBHHUAPEEQX-KUHUBIRLSA-N 448.317 4.066 5 20 IIBD O=C(COC(=O)/C=C/c1cccc(OC2CCCC2)c1)Nc1cc([N+](=O)[O-])ccc1F 727885017 AJRGSAWVWTVUDU-DHZHZOJOSA-N 428.416 4.250 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 728384468 AZVOJZRQVKPBGQ-UHFFFAOYSA-N 438.358 4.106 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1cnc(-c2ccco2)s1 728802028 JXYICYAYVNQUDG-UHFFFAOYSA-N 439.453 4.412 5 20 IIBD O=[N+]([O-])c1ccc(-c2cnn(CN3CCC(c4nc(-c5ccccc5)no4)CC3)c2)cc1 728907405 OMNOTELAUQSRKG-UHFFFAOYSA-N 430.468 4.345 5 20 IIBD O=C(Nc1cccc2[nH]ccc12)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 729039315 UBAZZUNLBXTTED-UHFFFAOYSA-N 433.390 4.449 5 20 IIBD CC(C)Cn1nc(C(=O)OCc2cc([N+](=O)[O-])ccc2OC(C)C)c2ccccc2c1=O 729116421 PROXYQQGZDOMLQ-UHFFFAOYSA-N 439.468 4.105 5 20 IIBD Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)c1 729454643 FCRIMYJTPGWYCS-OAHLLOKOSA-N 426.498 4.497 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1CONC(=N)c1cccc(OCc2cccnc2)c1 729674524 PKGWTLKYVJXBAV-UHFFFAOYSA-N 436.468 4.403 5 20 IIBD O=[N+]([O-])c1ccc2cnn(CN3CCO[C@@H](c4cc(F)c(Cl)cc4Cl)C3)c2c1 730254966 OWJAQBMDNBYNCY-GOSISDBHSA-N 425.247 4.421 5 20 IIBD CCC1=C(C(=O)OC)[C@@H](c2cc([N+](=O)[O-])c(F)cc2F)NC(=O)N1Cc1cccs1 731431725 YQOLRARSARQKTM-QGZVFWFLSA-N 437.424 4.038 5 20 IIBD CCc1ccc(OC(=O)CCC[S@](=O)c2ccc(Br)cc2)c([N+](=O)[O-])c1 735216752 KLEVHPLLQSDGEI-SANMLTNESA-N 440.315 4.413 5 20 IIBD Cc1cc(OCc2ccccc2)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 735269400 MJWQVJLLRVHJOX-UHFFFAOYSA-N 443.437 4.191 5 20 IIBD Cc1cc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)on1 741820651 QJUCSOARQYTRQG-ZDUSSCGKSA-N 427.438 4.226 5 20 IIBD CCO[C@@H]1C[C@H](Nc2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])C12CCCC2 742425746 FRVNGNXERAOYSO-QWHCGFSZSA-N 444.282 4.424 5 20 IIBD Cc1c(C(=O)Nc2cccc(CC(=O)OC(C)(C)C)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 742896389 IQHKBOYNLUGJHP-UHFFFAOYSA-N 429.429 4.256 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1OC 742942391 IPVFSKSCGAVDHX-NSHDSACASA-N 446.847 4.197 5 20 IIBD C[C@H](OC(=O)[C@H]1C[C@@]12CCc1ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 745723083 ZQGQCOODNDWABF-LKNMKHRSSA-N 448.397 4.388 5 20 IIBD Cn1nc(-c2ccncc2)cc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 750891216 VLJJNXAOTNSHOB-UHFFFAOYSA-N 436.653 4.059 5 20 IIBD CSc1ccc(C(=O)COC(=O)c2cc([N+](=O)[O-])c(Br)cc2F)cc1 751690123 FKPJXXWKHGKKPA-UHFFFAOYSA-N 428.235 4.258 5 20 IIBD O=C(COC(=O)c1ccc(Cl)c(Br)c1)Nc1cc([N+](=O)[O-])ccc1Cl 753425711 NIIAMMDLANLDSM-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 754060041 MECCCDZLQFWWGQ-RYBIEJRYSA-N 441.440 4.106 5 20 IIBD C[C@H](C(=O)OCC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc([N+](=O)[O-])cc1F 755069931 YTFJMIUIMYFWCU-ZDUSSCGKSA-N 444.415 4.061 5 20 IIBD C[C@H](OC(=O)c1c[nH]nc1-c1ccccc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 756602551 SGURWSRMKPDPTE-JTQLQIEISA-N 449.250 4.476 5 20 IIBD O=C1CC[C@]2(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)Sc3ccc(Cl)cc3N12 756989675 CYQWINQOXKKCHN-GOSISDBHSA-N 438.292 4.147 5 20 IIBD C[C@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1CNC(=O)OC(C)(C)C 760844387 ULZKCZQOVVQTHC-HNAYVOBHSA-N 430.505 4.375 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3ccn(C4CCCC4)n3)CC2)ccc1[N+](=O)[O-] 763518354 JSTZWGSNAWUJPO-UHFFFAOYSA-N 428.489 4.131 5 20 IIBD C[C@H](OC(=O)c1ccccc1CS(=O)(=O)c1ccccc1)c1ccccc1[N+](=O)[O-] 764596388 JSKVCIAGNMDTAL-INIZCTEOSA-N 425.462 4.487 5 20 IIBD COCC(=O)Nc1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cc1 764650616 UCGSVGDQZFQJEA-UHFFFAOYSA-N 430.482 4.434 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)OCC2CCC(C(F)(F)F)CC2)ccc1[N+](=O)[O-] 770362737 ZXNSRHNWOJIIAP-PVARCSIZSA-N 442.434 4.420 5 20 IIBD C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1Cc1ccc(Br)c([N+](=O)[O-])c1 770381053 PYHNDIPQXVAENI-GXTWGEPZSA-N 428.327 4.235 5 20 IIBD C[C@@H]1C[C@@H](CNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 771327920 WVMWPGULCKOMPX-KGLIPLIRSA-N 431.876 4.045 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1C(=O)OC(C)(C)C 773774744 DYFQWTIKUXSSOS-HIFRSBDPSA-N 446.529 4.236 5 20 IIBD COC[C@@H](OC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1nccs1 774679261 YHTVGZBSUDFCDQ-SCLBCKFNSA-N 428.470 4.164 5 20 IIBD CN(C)c1ccc(N(Cc2ccccn2)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1 776385598 JDOVLEIENQGYKW-UHFFFAOYSA-N 442.479 4.089 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F 776599380 ZBTDDPYWWBQCBM-ICSRJNTNSA-N 434.418 4.324 5 20 IIBD CSc1cccc(C(=O)N2CCO[C@H](c3ccccc3Br)C2)c1[N+](=O)[O-] 777136572 VXEVRMLZGANMHB-HNNXBMFYSA-N 437.315 4.293 5 20 IIBD CCc1ccc(N(C(C)=O)c2nc(COC(=O)c3c(N)cccc3[N+](=O)[O-])cs2)cc1 778146188 UUWHWOFYRJBTOC-UHFFFAOYSA-N 440.481 4.238 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N(Cc2ccc(CO)cc2)c2ccccc2)ccc1Cl 778586803 ITRUEJKMXVKVMY-UHFFFAOYSA-N 432.885 4.136 5 20 IIBD CCOc1cc(C(=O)Oc2ccc(C(=O)Nc3ccccc3)cc2)c([N+](=O)[O-])cc1OC 779324228 MWTSJKKEOLPULA-UHFFFAOYSA-N 436.420 4.474 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 780896191 GZWGJMPBYVDNBL-WMZOPIPTSA-N 449.551 4.447 5 20 IIBD COc1ccc(-c2noc(COC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)n2)cc1 781268023 KFZDYQXIKDSXKF-UHFFFAOYSA-N 427.416 4.097 5 20 IIBD C[C@H](OC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccccc1[N+](=O)[O-] 782692851 NLMUXCKSRPWEQP-AWEZNQCLSA-N 446.506 4.304 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N[C@@H](C)c2cccc(C)c2C)cc1[N+](=O)[O-] 784708467 AHYQTGPBGBOPAW-ZDUSSCGKSA-N 434.290 4.098 5 20 IIBD CS(=O)(=O)c1cc(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)ccc1F 786197329 MWGDKDMGXJXCDW-UHFFFAOYSA-N 430.413 4.182 5 20 IIBD O=C(COC(=O)COc1ccc(-c2ccccc2)cc1)Nc1ccc([N+](=O)[O-])cc1Cl 789748493 XYSGLBDUDIJDKK-UHFFFAOYSA-N 440.839 4.476 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1cccc(N2CCN(CC3CC3)CC2)c1 790546407 JBAZLKHVXBTMQF-UHFFFAOYSA-N 446.910 4.101 5 20 IIBD CC1(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CCN(C(=O)OC(C)(C)C)CC1 790563406 DUAUAKFJZTWJKB-UHFFFAOYSA-N 443.903 4.083 5 20 IIBD Cc1coc(-c2cc(NS(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)ccc2C)n1 795336593 VCSMGJHCWJNIBY-UHFFFAOYSA-N 425.825 4.460 5 20 IIBD C[C@@H]1C(=O)CC[C@H]1CC(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 796232301 GJYKECHCWUBUNX-XLDJFRKUSA-N 444.871 4.477 5 20 IIBD Cc1onc(-c2cccc(Cl)c2)c1C(=O)OCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 796388762 JTFUGSHSYSVMLD-UHFFFAOYSA-N 429.816 4.031 5 20 IIBD CCOc1cc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)ccc1[N+](=O)[O-] 796465849 LGXSDLCQLRDUBH-HXUWFJFHSA-N 427.501 4.132 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H](F)c1ccc(C(F)(F)F)cc1 801900660 QTPLACOVFNPCGL-OAHLLOKOSA-N 425.294 4.418 5 20 IIBD COc1cc(COC(=O)c2cscc2Br)c([N+](=O)[O-])cc1OC(F)F 803773973 RDXSLANRXFNWGF-UHFFFAOYSA-N 438.202 4.386 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O 809917739 POSMILTYDNJESB-LBPRGKRZSA-N 442.781 4.194 5 20 IIBD O=C(Nc1ccc(OC(=O)[C@@H]2C[C@@H](c3ccccc3)OC2=O)cc1)c1cccc([N+](=O)[O-])c1 813384825 DKYWWKLPPPFHGB-SFTDATJTSA-N 446.415 4.057 5 20 IIBD Cc1ccc2nc(C(=O)N3CCc4c(Br)ccc([N+](=O)[O-])c4C3)ccc2c1 816603963 UKUAHKMWQIVHDQ-UHFFFAOYSA-N 426.270 4.412 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])c2nsnc2c1)c1ccc(C(F)(F)F)nc1Cl 817874569 DZGURUMAJHCREW-ZCFIWIBFSA-N 431.783 4.158 5 20 IIBD Cc1ccc([C@H](O)c2ccccn2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 819706917 PIYNRAPETPDEKO-QHCPKHFHSA-N 432.480 4.232 5 20 IIBD COC(=O)c1c(F)ccc(Cl)c1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 821665639 SURJPVGLVCTYFF-UHFFFAOYSA-N 438.842 4.373 5 20 IIBD COc1cc(Br)cc(C)c1NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F 821673275 VLNHVKUFFADIPC-UHFFFAOYSA-N 426.242 4.132 5 20 IIBD CCN(CC)C(=O)COc1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1Cl 914704744 QHYIOEGCSRKEQI-UHFFFAOYSA-N 436.921 4.304 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCCN(Cc2ccc(F)cc2)CC1 914862446 HQBIXFFJUYXVQI-UHFFFAOYSA-N 442.369 4.373 5 20 IIBD COc1ccc(CSCC(=O)O[C@@H](C)c2nc(-c3cccs3)no2)cc1[N+](=O)[O-] 914917425 LMHQXOFLWUJDTI-NSHDSACASA-N 435.483 4.253 5 20 IIBD O=C(Nc1cccc(C2SCCS2)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 915331947 VEQLDEYRIUNHMA-UHFFFAOYSA-N 430.555 4.428 5 20 IIBD COc1ccc([C@@H]2CCCN2C(=O)CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)c(OC)c1 917074697 HCIKSQGQTGIQAP-FQEVSTJZSA-N 447.919 4.061 5 20 IIBD C[C@@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)Nc1ccc(N2CCCCC2)cc1 917328841 BOBUBWPAVIRGNT-OAHLLOKOSA-N 436.468 4.250 5 20 IIBD C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)Cc1cccc(Br)c1 917841315 NAHILGIGGPKCEQ-NSHDSACASA-N 426.698 4.470 5 20 IIBD CN(C[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1)C(=O)OC(C)(C)C 920213640 WLUDFSXHZFRAJH-ZDUSSCGKSA-N 426.901 4.359 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[C@@H](C)Cc1cccc(F)c1 921000577 CLKJNGUNHWISSV-HNNXBMFYSA-N 426.448 4.400 5 20 IIBD C[C@H](OC(=O)c1cc2c(OC(F)(F)F)cccc2[nH]1)C(=O)Nc1ccccc1[N+](=O)[O-] 1317976694 IAQQSODCZNLQLZ-JTQLQIEISA-N 437.330 4.159 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc2nc(CN3CCCCC3)[nH]c2c1 1318229505 FOZBXGQXYOODMO-UHFFFAOYSA-N 436.516 4.288 5 20 IIBD Cc1ccc(-c2nnc(-c3nn(Cc4ccccc4)c(=O)c4ccccc34)o2)cc1[N+](=O)[O-] 1322025902 LNGRRTZNRTWRBO-UHFFFAOYSA-N 439.431 4.378 5 20 IIBD Cc1nn(CCc2nnc(-c3cc4c(C)nn(-c5ccccc5)c4s3)o2)c(C)c1[N+](=O)[O-] 1323916719 BGEPYFSDZHBBGY-UHFFFAOYSA-N 449.496 4.410 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]3C3CC3)cc2)CCC1 1786048663 IUERKVMPBCJZAH-FGZHOGPDSA-N 433.508 4.318 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(O)c([N+](=O)[O-])c4)CCC3)cc2)ccn1 1789751280 WAUCQYCNNJBCPE-UHFFFAOYSA-N 446.463 4.065 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)[nH]n1)c1cc2ccccc2o1 1818630991 NYZFCOOSBRZUJV-MRXNPFEDSA-N 448.439 4.012 5 20 IIBD CCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)n[nH]1 1821168119 ITKOHMWERCFHQU-KRWDZBQOSA-N 431.468 4.199 5 20 IIBD C[C@@H]1C[C@@]1(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830223984 NZQYUPKRODWVPO-NFHUAXAMSA-N 431.508 4.013 5 20 IIBD Cc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cc(Cl)cc([N+](=O)[O-])c3C)C2)s1 1845498959 NWCKAEXNOYBRLO-UHFFFAOYSA-N 433.917 4.057 5 20 IIBD COCc1c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)sc2cccc(F)c12 16601015 OOBPTBAKWSOXRL-UHFFFAOYSA-N 429.473 4.057 5 20 IIBD COC(=O)c1ccc(OCC(=O)c2cc(C)n(Cc3cccs3)c2C)c([N+](=O)[O-])c1 22223146 KMBZISXHKNHKAY-UHFFFAOYSA-N 428.466 4.171 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(Cl)ccc1N1CCN(C)CC1 24049057 HAFONSUSUVQYQP-CQSZACIVSA-N 434.949 4.119 5 20 IIBD COc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC(F)F 26452545 WVVUVICRIQZEJS-LLVKDONJSA-N 443.834 4.317 5 20 IIBD Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 28288215 DHGDAUFQQDDJHP-UHFFFAOYSA-N 433.779 4.146 5 20 IIBD C[C@H]1C[C@@H](C)CN(C(=O)COc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)C1 28609937 UVGZWGBTSIILFI-IYBDPMFKSA-N 436.464 4.252 5 20 IIBD Cc1nc(-c2ccc([C@H](C)NC(=O)[C@@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cs1 29100960 IQARJBVPCZWVDN-UONOGXRCSA-N 438.509 4.022 5 20 IIBD CCCCN1C(=O)CC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1OC 29485374 ISDXIJLSSQYIPT-UGKGYDQZSA-N 425.485 4.322 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 59786485 FWMPATWVISMNFE-UHFFFAOYSA-N 442.825 4.195 5 20 IIBD CO[C@H](C)C(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c1 65071357 ONALPXNOLBRJCK-MRXNPFEDSA-N 448.479 4.433 5 20 IIBD COc1ccc2[nH]cc(C3CCN(C(=O)c4ccc(-n5ccnc5)c([N+](=O)[O-])c4)CC3)c2c1 108890668 MBCIMCPIOAIBGX-UHFFFAOYSA-N 445.479 4.290 5 20 IIBD CS(=O)(=O)c1cccc(Oc2ncccc2CNc2c(F)cc([N+](=O)[O-])cc2F)c1 301777453 IAJJTKDVMRYKDG-UHFFFAOYSA-N 435.408 4.076 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1c1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 301832874 RQIPONFINRRQGX-FQEVSTJZSA-N 447.495 4.285 5 20 IIBD NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCc1ccc(Sc2ccc(F)cc2)cc1 302139354 DYUAYUVZPDSABH-UHFFFAOYSA-N 433.486 4.145 5 20 IIBD CC[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccccc1OCC(=O)N1CCCC1 409678443 MRRGLHUULGKKLN-LJQANCHMSA-N 440.500 4.177 5 20 IIBD O=C(NC[C@@]1(CO)C[C@H]1c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 429612435 QHPDAMJJGGBTBN-MAUKXSAKSA-N 427.354 4.040 5 20 IIBD CNC(=O)c1cc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)ccc1Cl 436058346 KHAXSKQDDGWQOY-UHFFFAOYSA-N 441.821 4.225 5 20 IIBD CCOC(=O)c1ccc(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc1 436146325 CPLRRBXLHQUINR-UHFFFAOYSA-N 436.414 4.066 5 20 IIBD CSc1ccc(C(=O)N[C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] 437334854 SRQDDRWDFICCRW-YCRPNKLZSA-N 430.526 4.372 5 20 IIBD O=C(Nc1nc(CC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cs1)c1ccccc1 437480247 XHLMQTMKNCFLTL-UHFFFAOYSA-N 436.493 4.037 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc(-c2ccncc2)no1 443870201 ROLGCEOQTSMJGT-OAHLLOKOSA-N 435.362 4.186 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 444631454 LZBXJOIQFHMAPE-CABCVRRESA-N 433.493 4.447 5 20 IIBD Cc1c(C)n(Cc2ccccc2)c2ncnc(NC(=O)COc3ccccc3[N+](=O)[O-])c12 445952080 HQFZTHWNOVJXFS-UHFFFAOYSA-N 431.452 4.022 5 20 IIBD CC(C)c1nc(-c2ccccc2NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)n[nH]1 446005518 YQROBWVKWNFOQF-UHFFFAOYSA-N 444.289 4.447 5 20 IIBD CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 446031447 MGZPMBCLQGSJJW-ADLMAVQZSA-N 441.709 4.446 5 20 IIBD O=C(c1c[nH]nc1-c1cccc(Cl)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 446269164 KWOOWELDTOEWCH-UHFFFAOYSA-N 426.860 4.322 5 20 IIBD O=C(Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])c1csc(-c2cnccn2)n1 446428540 VTIHFWPPCQVZJP-UHFFFAOYSA-N 433.449 4.340 5 20 IIBD CCOc1ccc(C2(CN[C@@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)CCOCC2)cc1 447537689 XSWDASOHYJSYHK-RTWAWAEBSA-N 428.533 4.012 5 20 IIBD Cc1cc(N2CCC(OCCN3C[C@H](C)O[C@H](C)C3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] 461963192 YVEJNCZXJYMYOQ-IYBDPMFKSA-N 445.482 4.017 5 20 IIBD CC(C)COc1ccc(CCNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 465912579 ZNWIYNDNNHVRMY-UHFFFAOYSA-N 441.528 4.425 5 20 IIBD C[C@H](NC(C)(C)CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 465920977 OFJISBLRAHIGFC-SFHVURJKSA-N 440.544 4.277 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(Sc2ccccc2Cl)nn1 468144323 MHVZERUWWURJBT-UHFFFAOYSA-N 429.889 4.031 5 20 IIBD CCC[C@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccc(F)cc1F 468378518 VUBMLXLPQPCGIR-INIZCTEOSA-N 447.467 4.424 5 20 IIBD COC(=O)C[C@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 470132002 JPSPPSUAYZUSEE-HNNXBMFYSA-N 429.326 4.179 5 20 IIBD COc1ccc(CNC(=O)C(=O)Nc2ccccc2Oc2c(C)cccc2C)cc1[N+](=O)[O-] 473233081 INSZSVKLMVFKMD-UHFFFAOYSA-N 449.463 4.267 5 20 IIBD O=[N+]([O-])c1ccc(CNCc2ncc(Br)cc2Br)c(Cl)c1 474017379 BNUDNAVKSIWHLZ-UHFFFAOYSA-N 435.503 4.458 5 20 IIBD COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 476343344 SKRPNGZIQSOFFJ-CQSZACIVSA-N 442.921 4.011 5 20 IIBD COC(=O)[C@@H]1CCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C[C@H]1C 476759814 WZBWMBFBOAZIQD-CRAIPNDOSA-N 428.510 4.326 5 20 IIBD O=c1c(Br)cn(Cc2csc(-c3ccc(Cl)cc3)n2)cc1[N+](=O)[O-] 477407868 UNTQUCXTZJQJJB-UHFFFAOYSA-N 426.679 4.344 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2oc(C)c(C)c2c1 477936086 KMRBKAYYJLYYJN-IBGZPJMESA-N 441.509 4.448 5 20 IIBD CCCC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1 479454124 JASOGRIVTGJBIS-UHFFFAOYSA-N 425.894 4.404 5 20 IIBD COCCCC[C@H](Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccccc1 480546434 GJWJCFFGWBGMGB-FQEVSTJZSA-N 427.501 4.037 5 20 IIBD COCCN(C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)[C@@H]1CC[C@H](C)C1 482673338 OIHNIEUYRVUAOX-YQVWRLOYSA-N 426.517 4.440 5 20 IIBD COc1ccc(O[C@@H](C)CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1 485731015 GVMVHVXULSPUBQ-KRWDZBQOSA-N 436.464 4.380 5 20 IIBD COc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)s2)cc1 487191238 ZEJIRXJQHKAIPV-NSHDSACASA-N 441.465 4.255 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)c(OCC(=O)N(C)C)c1 488373843 DQKFTRBVMBEJSN-UHFFFAOYSA-N 445.541 4.371 5 20 IIBD CCC[C@@H](NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)N1CCc2sccc2C1 489138253 LXAOPGLDEHUVNB-CRAIPNDOSA-N 444.557 4.079 5 20 IIBD COC(=O)c1cc(NC(=O)C2(c3cccc(Cl)c3)CCOCC2)c(C)c([N+](=O)[O-])c1 489779029 GPNTVZUMOFLZHX-UHFFFAOYSA-N 432.860 4.030 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC[C@@H]1CCN(c2ccc(F)cc2)C1 495128325 BJFWLPAFZCSSIK-ZDUSSCGKSA-N 440.397 4.078 5 20 IIBD COCCN1C(=O)CCc2cc(NCc3csc(-c4cccc([N+](=O)[O-])c4)n3)ccc21 495182788 IEHOVUSBHXGKLF-UHFFFAOYSA-N 438.509 4.256 5 20 IIBD CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2cc(CC)nc(-c3ccc([N+](=O)[O-])cc3)n2)C1 496185291 FRMVUKGTDHCZED-FUHWJXTLSA-N 425.533 4.135 5 20 IIBD O=C(NCC1(c2cccc(Cl)c2)CCOCC1)c1ccc([N+](=O)[O-])c2cccnc12 498188289 VLTCZCIXGSEQRU-UHFFFAOYSA-N 425.872 4.275 5 20 IIBD CC(C)(C)Oc1cc(F)ccc1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 498827642 RUDOCJMZBSZKSG-UHFFFAOYSA-N 431.420 4.238 5 20 IIBD CN1CCC(N(Cc2ccco2)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 501383420 ZHUJWRKIOITNPP-UHFFFAOYSA-N 426.498 4.048 5 20 IIBD CSc1cccc(N2C[C@@H](C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)CC2=O)c1 501990899 PCOSNEPUDFWAND-KRWDZBQOSA-N 427.526 4.107 5 20 IIBD COc1ccc(N(Cc2c(F)cccc2[N+](=O)[O-])S(=O)(=O)c2ccc(C)cc2)cc1 505591878 VHBSTNYQBOEWBB-UHFFFAOYSA-N 430.457 4.446 5 20 IIBD O=C(NCCCOc1ccc(C(F)(F)F)cn1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 506599464 BDILTRBMWIZJRF-UHFFFAOYSA-N 437.296 4.226 5 20 IIBD CCN(C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](C)c1cc2ccccc2o1 507953992 VAMDUPJGTBCHCT-ZDUSSCGKSA-N 427.482 4.142 5 20 IIBD Cn1cnc(-c2ccc(Br)cc2)c1NC(=O)CSc1ccccc1[N+](=O)[O-] 508402251 UMMMEZJZVGPDRU-UHFFFAOYSA-N 447.314 4.489 5 20 IIBD Cc1nnc(Sc2ccc(NS(=O)(=O)c3c(F)cccc3[N+](=O)[O-])c(C)c2)s1 509545155 YOAGGFIFVRFGQB-UHFFFAOYSA-N 440.503 4.154 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@](F)(c3cccc(Cl)c3)C2)c2ncccc12 510585967 ZIYUJVAFWHRZRM-IBGZPJMESA-N 435.864 4.056 5 20 IIBD Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)cc1[N+](=O)[O-] 511395345 QTJUYNNQOGWRCC-RDJZCZTQSA-N 435.402 4.313 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(F)cc1Br 511956755 UGUGJKCQROWVTM-UHFFFAOYSA-N 431.283 4.096 5 20 IIBD Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1 512541543 VOLUCFXZPPFXBK-QZTJIDSGSA-N 438.528 4.096 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 518282056 PNOHGNGZJYTDBB-UHFFFAOYSA-N 446.872 4.005 5 20 IIBD COc1cccc(C[C@H]2CCCN2C(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)c1 518324566 HUJGTTUYLNBJMO-GOSISDBHSA-N 430.526 4.079 5 20 IIBD COC(=O)c1cc(C(=O)N2CCC[C@H]2c2cccc(Br)c2)cc([N+](=O)[O-])c1 519067864 FPDJOEZOPMZSQL-KRWDZBQOSA-N 433.258 4.121 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cccc(COCCc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 520487191 LHJISQOWRWAJDW-SFHVURJKSA-N 447.491 4.170 5 20 IIBD CC(C)(C)n1cc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cn1 521004115 OUIHRFMUTGTMJZ-UHFFFAOYSA-N 439.438 4.420 5 20 IIBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H](c1ccccc1)c1ccc2ccccc2c1 521037217 HYBITBLDZYEWHC-VWLOTQADSA-N 439.471 4.384 5 20 IIBD Cc1ccccc1CN(Cc1ccccc1)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 521754299 XRJQOOCPUCDYQR-UHFFFAOYSA-N 427.464 4.327 5 20 IIBD C[C@@H](c1cccc(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1)N1CCOCC1 524830352 QXQFEZCITNTOAB-SFHVURJKSA-N 426.517 4.132 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(COCc3ccccc3)cc2)cc1[N+](=O)[O-] 525525932 JZFNJAYGEBYGLO-UHFFFAOYSA-N 428.466 4.121 5 20 IIBD O=C(Nc1nnc(Cc2ccc(F)cc2)s1)c1ccc(Br)cc1[N+](=O)[O-] 530711358 ITDGVIMXKPUKRA-UHFFFAOYSA-N 437.250 4.191 5 20 IIBD C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCOC(c2ccccc2)c2ccccc2)C1=O 530934456 WYFIHPPUWHDUTG-VWLOTQADSA-N 445.475 4.168 5 20 IIBD COc1cc(-c2noc(-c3csc(-c4cccc([N+](=O)[O-])c4)n3)n2)cc(OC)c1OC 531750609 UTFUSQOYGMDJGJ-UHFFFAOYSA-N 440.437 4.461 5 20 IIBD CCOc1cc(Br)c(CC(=O)N(C)c2cccc([N+](=O)[O-])c2)cc1OCC 533148366 JBRUTHPRGRLKQD-UHFFFAOYSA-N 437.290 4.360 5 20 IIBD C[C@H](NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1)c1cccc([N+](=O)[O-])c1 533617312 OUTXTFWYRPWUEQ-ZDUSSCGKSA-N 446.891 4.075 5 20 IIBD CC[C@@](C)(NC(=O)c1cc(I)cc([N+](=O)[O-])c1)c1nc(C)cs1 534286330 VGDPNNJQNNEWHX-OAHLLOKOSA-N 445.282 4.020 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccc(-c2ccc3c(c2)C[C@H](C)O3)cc1 534549006 AWNVVLQRYAMVLW-INIZCTEOSA-N 445.475 4.149 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)cc(Br)c2O)cc1OC 534704031 DLFXUIOYXFQGNV-UHFFFAOYSA-N 445.653 4.376 5 20 IIBD Cc1c(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2O)sc2nc3n(c(=O)c12)CCCCC3 537547656 WAOPXHSDNBICSN-UHFFFAOYSA-N 448.888 4.012 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCC3(c4ccncc4)CCCC3)cc2)c(C)c1[N+](=O)[O-] 538491406 XWPKWKVPXNQLDQ-UHFFFAOYSA-N 433.512 4.093 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ncc(F)cc1I 538560560 LTJOKWNJYXEARC-UHFFFAOYSA-N 447.229 4.098 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)CCC2CCCC2)CC1 540445373 JTCPUHMPVABPBV-UHFFFAOYSA-N 433.574 4.350 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)cc1OC 541056534 JXGBJHAFKIYBPO-QKLQHJQFSA-N 445.560 4.004 5 20 IIBD COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(OC)c([N+](=O)[O-])c3)s2)cc1OC 542002809 HCIZINRBVVXOEV-UHFFFAOYSA-N 429.454 4.305 5 20 IIBD COc1ccc(NC(=O)NCCc2c[nH]c3ccc(Br)cc23)cc1[N+](=O)[O-] 542384836 ZVWQDZSQVYCFIK-UHFFFAOYSA-N 433.262 4.211 5 20 IIBD Cc1ccc(Br)cc1NC(=O)CCNCc1ccc([N+](=O)[O-])cc1Cl 542471247 XQUFQTUPQVJAHT-UHFFFAOYSA-N 426.698 4.438 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1 544412574 ZQJWZMUENAFFRK-CQSZACIVSA-N 440.769 4.296 5 20 IIBD O=C(c1ccc(-c2ccccc2)cc1)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 544689498 BDZJKSSCVVSNIO-UHFFFAOYSA-N 441.491 4.491 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(Cc3c[nH]c4ccc(Br)cc34)no2)cc2c1OCO2 545686042 KKMBGILUYDSVHC-UHFFFAOYSA-N 443.213 4.208 5 20 IIBD COc1cc(Cc2noc(CCc3cc(Br)ccc3F)n2)ccc1[N+](=O)[O-] 546465570 IENQSRYMQUNUIZ-UHFFFAOYSA-N 436.237 4.264 5 20 IIBD COc1ccc(CC(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)cc1[N+](=O)[O-] 547339065 NTIOTQMRRDEHLY-MRXNPFEDSA-N 437.265 4.411 5 20 IIBD COc1cc(C(=O)N2CCc3cc(Cl)cc(Br)c32)cc([N+](=O)[O-])c1OC 549267502 LVUFCEPKDDXOQV-UHFFFAOYSA-N 441.665 4.231 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ccc(Br)cc1 551482091 VTCLAEIOZVTUHA-GFCCVEGCSA-N 448.317 4.471 5 20 IIBD CCO[C@@H]1C[C@@H](NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)[C@]12CCCO2 555007589 BVOYEHYBDJJJGF-KCZVDYSFSA-N 427.457 4.235 5 20 IIBD COc1ccc(CN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C2CC2)c(OC)c1 555074405 QEYDCBBQHSIRQX-HNNXBMFYSA-N 443.500 4.131 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)cc1SC 561343761 CXBWRPWUAUFQNN-IBGZPJMESA-N 447.557 4.145 5 20 IIBD CC(=O)N(c1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1)[C@@H]1C[C@H]1C 563471569 FPBBMSFNZCGUKV-NOZJJQNGSA-N 438.303 4.432 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2c2nc(Cc3ccc(F)cc3F)no2)ccc1[N+](=O)[O-] 573404142 DPDGKHMPEUVGOX-SFHVURJKSA-N 428.395 4.133 5 20 IIBD CC[C@H](c1cccc(OC)c1)N(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 576096473 JINIDGMOWZAPME-IRLDBZIGSA-N 439.512 4.126 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N2CCCO[C@H](C(C)C)C2)cc1[N+](=O)[O-] 577242419 BNRVCYPOIDWUKP-FQEVSTJZSA-N 442.537 4.435 5 20 IIBD COc1cc(Cc2noc(-c3ccc(Oc4ccccc4)cn3)n2)c([N+](=O)[O-])c(OC)c1 577917523 HCFKQJJMAJKMAD-UHFFFAOYSA-N 434.408 4.440 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCC(F)(F)[C@H](C)C2)c([N+](=O)[O-])c1 580806971 JNXWQUJNHQSOIJ-OAHLLOKOSA-N 439.484 4.292 5 20 IIBD O=C(N[C@H](c1cccc(F)c1)C1CCCC1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 584074041 XNTGMEHMBSHVAL-QFIPXVFZSA-N 439.487 4.273 5 20 IIBD O=C(Nc1ncc(Cc2cccc(F)c2)s1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 603649544 HWAAMTXYFOXDNR-UHFFFAOYSA-N 441.488 4.135 5 20 IIBD CNS(=O)(=O)c1ccc(N[C@@H](C)c2ccc(OC3CCCC3)c(OC)c2)c([N+](=O)[O-])c1 603861163 QBSBBKMSRFLGIB-AWEZNQCLSA-N 449.529 4.006 5 20 IIBD COc1ccc(C(=O)N(C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)cc1[N+](=O)[O-] 604018174 FALUNJJPFQDFAH-UHFFFAOYSA-N 426.391 4.434 5 20 IIBD C[C@H](NC(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1)c1cccc([N+](=O)[O-])c1 604126176 HKMCFDXBPKHAHR-INIZCTEOSA-N 425.485 4.238 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1nc2c(s1)CCN(Cc1ccccc1)C2 604477464 KJCTYCNCZWJBPZ-UHFFFAOYSA-N 447.520 4.203 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CCCc1cc(-c2ccc(F)cc2)no1 608780236 PEZJNGINVDTZGN-OAHLLOKOSA-N 426.448 4.281 5 20 IIBD O=C(Nc1ccc(-c2nc3cc(F)ccc3[nH]2)cc1)c1cc([N+](=O)[O-])cc2c1OCCO2 609263185 IUBJURCWNPJKFP-UHFFFAOYSA-N 434.383 4.301 5 20 IIBD Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 610044172 ZWVJPFIGTXZNAQ-UHFFFAOYSA-N 427.526 4.009 5 20 IIBD CCCN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H](c1ccc(F)cc1)c1cccnc1 610232956 DYIBBGKCYKNTKB-QFIPXVFZSA-N 437.427 4.499 5 20 IIBD Cc1nc2c(c(C)nn2C)c(C)c1CCc1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 612960192 LUOFPJDQNFXZLF-UHFFFAOYSA-N 445.483 4.042 5 20 IIBD C[C@H](NC(=O)N1CCO[C@H](c2ccccc2Br)C1)c1cccc([N+](=O)[O-])c1 725863234 AEPJPTGGVXPJMI-UGSOOPFHSA-N 434.290 4.201 5 20 IIBD CC[C@H](OC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2)C(N)=O 726992326 JVHASCNUVLSSOW-WMJZSHNHSA-N 445.475 4.441 5 20 IIBD Cc1cccc(NC(=O)c2ccccc2NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c1 727294838 CQBVWTFSZKLXLK-UHFFFAOYSA-N 433.420 4.179 5 20 IIBD COc1ccc2cc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4C(F)(F)F)CC3)[nH]c2c1 727399467 SZHIOVMTMYMUDQ-UHFFFAOYSA-N 448.401 4.066 5 20 IIBD O=C(O)c1ccc(Oc2ccccc2)c(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 728506899 JGEXJKFAQVSHNI-UHFFFAOYSA-N 432.385 4.025 5 20 IIBD O=C(Nc1nnc(Cc2ccc(F)cc2)s1)c1ccc(Br)c([N+](=O)[O-])c1 730194954 ZQIGKCCJZWQWFU-UHFFFAOYSA-N 437.250 4.191 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1SC 731055973 UTMSTBVXRIOLJT-FQEVSTJZSA-N 434.489 4.050 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1CCC(n2cccn2)CC1 731354765 VTKQXBMHOFAGPH-NRFANRHFSA-N 439.903 4.462 5 20 IIBD COc1ccccc1N(C(C)=O)c1nc(COC(=O)c2cc(F)cc([N+](=O)[O-])c2)cs1 731527855 NMYXLTXDVZQYIK-UHFFFAOYSA-N 445.428 4.241 5 20 IIBD C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 731892500 XWVLCEFVBXJLBK-OAHLLOKOSA-N 428.489 4.324 5 20 IIBD C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1cc([N+](=O)[O-])ccc1I 734357519 WDBHVOJIUNTLKW-JSGCOSHPSA-N 436.249 4.218 5 20 IIBD C[C@@H](CN(C)C(=O)OC(C)(C)C)c1noc(CCOc2ccc(Cl)cc2[N+](=O)[O-])n1 734976988 XTUDKKSIGWGLIF-LBPRGKRZSA-N 440.884 4.223 5 20 IIBD CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])cc2)c1 737652495 ZEWPILFUQDNXLT-UHFFFAOYSA-N 430.413 4.182 5 20 IIBD CC(C)(C)OC(=O)N[C@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 740814245 NNQMNAUVOFTITH-SFHVURJKSA-N 448.907 4.042 5 20 IIBD C[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 742517385 MLRMACZJZUROAP-FOIQADDNSA-N 425.485 4.386 5 20 IIBD CCc1ccc([C@H](C)NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 744562471 KTAIOANSDNIIOS-DLBZAZTESA-N 439.512 4.180 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cc2cc(C(F)(F)F)ccc2n1C 745630170 NAWOYLOTQNDBFV-UHFFFAOYSA-N 435.358 4.209 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)c2nc(-c3ccccc3C)no2)cc1OC 746060445 KCJMUOGJSPBCHM-CYBMUJFWSA-N 427.413 4.279 5 20 IIBD COc1ccc(CN2C(=O)/C(=C/c3ccc([N+](=O)[O-])c(O)c3)c3ccccc3C2=O)cc1 748147471 GEICMGSOCYKRIQ-UDWIEESQSA-N 430.416 4.032 5 20 IIBD O=C(COC(=O)c1cc(-c2cccc(Cl)c2)no1)Nc1ccc([N+](=O)[O-])cc1Cl 748924662 NGDXIGFRBDJCGG-UHFFFAOYSA-N 436.207 4.352 5 20 IIBD CC[C@H](C(=O)N1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1)c1ccccc1 749275421 BFHFCJBPZGGJRJ-SFHVURJKSA-N 429.904 4.163 5 20 IIBD O=C(CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccccc1)OCc1cscn1 749498511 LFVADQJKRCPTTQ-UHFFFAOYSA-N 426.479 4.226 5 20 IIBD O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)c1ccc(Br)cc1[N+](=O)[O-] 751019837 FRHCUGRBVGMAII-AWEZNQCLSA-N 434.073 4.128 5 20 IIBD COC(=O)c1occc1CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H](C)c1ccccn1 751127802 HOJNLXITRSVNMA-CYBMUJFWSA-N 443.843 4.426 5 20 IIBD CC(C)N(C(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccc(N2CCOCC2)cc1 751183244 YKBQGADFAHXGJY-UHFFFAOYSA-N 448.317 4.249 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccc(CCC(F)(F)F)cc1 751886859 IFVUAOCSIPRTTN-GFCCVEGCSA-N 440.374 4.282 5 20 IIBD COc1ccc(C(=O)COC(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cc1Br 755000433 ROYUXZMKFZEYMV-UHFFFAOYSA-N 446.612 4.198 5 20 IIBD Cc1nc(-c2cccc(NC(=O)COC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)c2)cs1 755064775 ATSCHYOMLDXABE-GFCCVEGCSA-N 443.456 4.451 5 20 IIBD CC(C)[C@@H](OC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)N[C@H]1CCOc2ccccc21 755066805 OXVASCWXENHAPI-ONTRVFCTSA-N 444.459 4.045 5 20 IIBD C[C@H](OC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccc(Br)cc1 755069158 UYUYSPKZKNGDDC-QWRGUYRKSA-N 439.237 4.170 5 20 IIBD COC(=O)CCSc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1 755415636 UIINXSMDWCBILI-UHFFFAOYSA-N 444.918 4.013 5 20 IIBD C[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@H](O)c1c(F)cccc1Cl 765203654 XHBKDFIXAIVVPQ-MGNBDDOMSA-N 431.247 4.048 5 20 IIBD Cc1ccc(OCc2nnc(S[C@@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)o2)cc1 768291304 LDSPIQGVSDXLCX-LBPRGKRZSA-N 432.433 4.124 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC(OCc2ccccc2F)CC1 768568952 FSJMTEIOWZTBCN-UHFFFAOYSA-N 442.896 4.066 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)cs1 768835032 MDFBZNWVOCPRQF-AWEZNQCLSA-N 439.515 4.275 5 20 IIBD CN(C)[C@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 769399242 NBXPSXKIUBDGAS-MRXNPFEDSA-N 431.361 4.125 5 20 IIBD O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1CCCC[C@H]1c1ccc(F)cc1F 769845506 HDJYAGSLHWJHIJ-NRFANRHFSA-N 426.423 4.281 5 20 IIBD CC1CCN(c2ccc(C(=O)N(C)c3cccc(Br)n3)cc2[N+](=O)[O-])CC1 771717519 UDUJXCDUTCOGSY-UHFFFAOYSA-N 433.306 4.265 5 20 IIBD Cc1cc(C(=O)CSc2ccc([N+](=O)[O-])cn2)c(C)n1Cc1ccc2c(c1)OCO2 772858491 RJOAMGOXTPBVGG-UHFFFAOYSA-N 425.466 4.160 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCC(N(C)C)CC2)cc1 775505891 YJDWSAQNTOGQRV-UHFFFAOYSA-N 428.558 4.490 5 20 IIBD CC(C)(C)OC(=O)Nc1ccccc1NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781617437 BVBMCCUZOIFKFC-GOSISDBHSA-N 426.429 4.074 5 20 IIBD Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)OCc3ccc([N+](=O)[O-])c(F)c3)c12 783203923 NPYIRZVRKQNTFF-UHFFFAOYSA-N 447.426 4.406 5 20 IIBD O=C(OCc1nc(Cc2cccc(F)c2)no1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 783315804 LJJXDSYSQCLQQZ-UHFFFAOYSA-N 440.412 4.188 5 20 IIBD NC(=O)c1ccc(COC(=O)[C@@H](Sc2ccc(F)cc2)c2ccccc2)c([N+](=O)[O-])c1 785874698 AIDZSOXLPNXICX-FQEVSTJZSA-N 440.452 4.410 5 20 IIBD Cc1cc(Br)ncc1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 786258801 DANVBKGKXXJQPV-UHFFFAOYSA-N 429.068 4.384 5 20 IIBD Cc1ccc(-c2nnc([C@@H](C)OC(=O)COc3ccc([N+](=O)[O-])c4cccnc34)o2)cc1 786785658 NQVQTQXJGZTFTG-CQSZACIVSA-N 434.408 4.185 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1 789908873 ROXKBQHNJBUEGR-HXUWFJFHSA-N 442.422 4.396 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCN(C(=O)c2cc3ccccc3s2)CC1 790221009 NGMIHZLEODIHSD-UHFFFAOYSA-N 429.885 4.061 5 20 IIBD COC(=O)C[C@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1ccc(SC)cc1 790647037 RSRVMGUKUUFOOV-INIZCTEOSA-N 440.880 4.072 5 20 IIBD CCOc1ccc([C@@H]2CCCN2S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1 790823248 BDKNIZUKRXEAOA-KRWDZBQOSA-N 449.485 4.044 5 20 IIBD O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 791232427 MHFUBGUHJDQICY-UHFFFAOYSA-N 444.793 4.271 5 20 IIBD CCOC(=O)C1(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CCCC1 791837016 OUTGKHQBHPQWJQ-MRXNPFEDSA-N 440.500 4.016 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N(CCCn1ccnc1)Cc1c(F)cccc1Cl 801886730 FZCMWQVCSSQNQL-UHFFFAOYSA-N 449.845 4.038 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 801897729 JLKVEQDUZMKVDJ-QGZVFWFLSA-N 444.337 4.205 5 20 IIBD Cc1nc(Cl)c(Cl)cc1C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 805721389 DXHMVZOPBBTPHK-MRVPVSSYSA-N 432.647 4.442 5 20 IIBD CC(=O)N[C@H](CC(=O)OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccc(F)cc1F 811086047 MEGBHVBHAAOPSU-MRXNPFEDSA-N 447.221 4.491 5 20 IIBD O=C(OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H](c1ccccc1)N1CCC(O)CC1 811115829 WKCNZJWFMUCASR-IBGZPJMESA-N 439.295 4.143 5 20 IIBD COc1ccc(C(=O)CCC(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 811217133 VCVKRJRMGHSUAQ-UHFFFAOYSA-N 426.450 4.433 5 20 IIBD C[C@@H](OC(=O)c1cc(N(C)C)c2ccccc2n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 811323527 WNFCLXFBHLTTOL-GFCCVEGCSA-N 442.859 4.046 5 20 IIBD O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@H](c1ccc(F)cc1)N1CCOCC1 811471470 CHQZWYZIIBMRIN-GOSISDBHSA-N 428.291 4.204 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)NCCc2c[nH]c3cccc(Br)c23)cc1[N+](=O)[O-] 811602962 PLRFGBYIMURFLD-UHFFFAOYSA-N 447.245 4.028 5 20 IIBD C[C@H](OC(=O)c1ccnc(N2CCC[C@@H](C)C2)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 812653794 QQDQXICDQBDPAN-KGLIPLIRSA-N 446.891 4.064 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Cc1cccc(Cl)c1F 812831708 XXZXJUSHCBFQFI-UHFFFAOYSA-N 432.839 4.417 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 813806166 KKRVMYUKVITKPG-IBGZPJMESA-N 444.532 4.058 5 20 IIBD COCc1ccccc1/C=C(/C)COC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 816188515 COLDSOPYWAGQSM-WTQUMQLASA-N 444.509 4.054 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC[C@H]21 817001956 HJFRGCSIBVHDFK-IAQYHMDHSA-N 444.315 4.373 5 20 IIBD COc1cc(/C=C\C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc(Br)c1O 817038053 RVOIDFWFFCXVFX-HJWRWDBZSA-N 435.274 4.136 5 20 IIBD CN(C)C(=O)OC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 818684271 YUCCQPKVYFDZLZ-UHFFFAOYSA-N 429.498 4.049 5 20 IIBD O=C(CCSCc1nc(O)c2c3c(sc2n1)CCC3)OCc1ccc([N+](=O)[O-])cc1 843446001 NGHKIYVGHJNUIC-UHFFFAOYSA-N 445.522 4.161 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccc(O)cc1O 849120230 GZJPAGHXVIMRTB-IBGZPJMESA-N 442.811 4.196 5 20 IIBD C[C@@H](OC(=O)CSc1ccccc1[N+](=O)[O-])C(=O)N[C@H](C)c1cc2ccccc2o1 856203426 NCMMJTUUTNGWDE-ZIAGYGMSSA-N 428.466 4.242 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1I)c1cccc([N+](=O)[O-])c1 915491550 ONJYXZSHCVTNJM-VIFPVBQESA-N 442.165 4.026 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1OC(=O)CCc1nc(O)c2c3c(sc2n1)C[C@H](C)CC3 917049349 YOSKJNWLUYDQCH-LLVKDONJSA-N 427.482 4.277 5 20 IIBD O=C(c1cc(-c2cccnc2)nc2ccccc12)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 917182017 DTRFVBODVKVKQO-UHFFFAOYSA-N 439.475 4.167 5 20 IIBD O=C(COC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)N[C@H](c1ccc(F)cc1)C1CCCC1 918862134 YKGFOSJODUVRTJ-XXCGLNCOSA-N 426.444 4.338 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccc(Cl)cc1Cl 919251480 UYSWFIUQTONDDU-VHSXEESVSA-N 429.231 4.463 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCc1c(F)c(F)c(F)c(F)c1F 920776685 BQKBYGOBPOOTKA-LURJTMIESA-N 425.693 4.454 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)Oc1c(Br)cccc1Br 921290142 CUFCMRIGJBYHSX-UHFFFAOYSA-N 431.036 4.104 5 20 IIBD COc1ccc(C(=O)OCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cc1-c1ccccc1 1116079637 MELBAZOZPCKLAC-UHFFFAOYSA-N 448.431 4.425 5 20 IIBD CN(C)CCOc1cc(CNCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)ccn1 1116410683 QADSZMUVQJUONW-UHFFFAOYSA-N 430.892 4.133 5 20 IIBD O=C([C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1142495826 ZJUQJWFGFKANJM-ZWKOTPCHSA-N 434.323 4.350 5 20 IIBD CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)cc2C1 1320823879 YYFVVJUSZQTURR-UHFFFAOYSA-N 437.496 4.087 5 20 IIBD O=C(CC1CC1)Nc1ccc(C2(NC(=O)c3cc([N+](=O)[O-])cc4c3OCC4)CCC2)cc1 1787824780 KWMWNZXSJPEGJV-UHFFFAOYSA-N 435.480 4.078 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)CCC1)c1ccncc1 1790622785 SLZSLVBIXCLLPU-UHFFFAOYSA-N 434.427 4.190 5 20 IIBD Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(F)c2[N+](=O)[O-])C3)cc1Cl 1792733090 JKHQWZQJPAYOGQ-MUJYYYPQSA-N 445.878 4.261 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1cccc([N+](=O)[O-])c1)c1ccccc1Cl 1793940066 OUNOKKJUQLACMB-BCDXTJNWSA-N 441.915 4.133 5 20 IIBD Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C3)c(Cl)c1 1803628766 GUNWFLSFQOEAEC-BJWYYQGGSA-N 445.878 4.261 5 20 IIBD Cc1scc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)c1C 1826183266 PBBGDNBOFSAGPZ-IBGZPJMESA-N 444.557 4.148 5 20 IIBD CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CSc3ccccc3[N+](=O)[O-])CC2)CC1 1826244055 ZHCFIUAOGPYUGV-SFHVURJKSA-N 445.585 4.107 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CC2(CCCN2C(=O)CC2CCC(C)(C)CC2)C1 1845258419 JRHVQVVVKKNUNP-UHFFFAOYSA-N 445.535 4.466 5 20 IIBD O=C(NCCNc1ccccc1[N+](=O)[O-])NCc1ccc(-c2nc3ccccc3s2)o1 10912332 DJUPUDJSADYDTC-UHFFFAOYSA-N 437.481 4.376 5 20 IIBD O=C(NC[C@H]1CC2c3ccccc3C1c1ccccc12)c1cc2c(cc1[N+](=O)[O-])OCO2 12854951 MSBZIYYFYKHYTH-UGRPMAQISA-N 428.444 4.351 5 20 IIBD O=C(c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2)N1CCOCC1 14209895 IXRCORPGYGZPHQ-OBGWFSINSA-N 429.476 4.492 5 20 IIBD Cc1cc(Cl)ccc1OCC(=O)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C 16014866 KWGXDCKVSZSFSS-UHFFFAOYSA-N 444.875 4.423 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3cc(C)cc(C)c3)o2)c([N+](=O)[O-])c1 18587032 CJRKTAKGGAZIKN-ZDUSSCGKSA-N 428.470 4.390 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)CCc1ccc(-c2ccccc2)o1 23641633 ISBNBKVXBJGXCU-OAHLLOKOSA-N 438.436 4.366 5 20 IIBD O=C(Nc1cccnc1)c1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 24899458 GRFUCUCVJZQWKT-UHFFFAOYSA-N 445.479 4.097 5 20 IIBD COc1cccc(CNC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)c1 25269620 UKQWOPYKQZDINX-UHFFFAOYSA-N 436.489 4.486 5 20 IIBD Cc1c(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cnn1-c1ccc(Cl)cc1 25773818 OQCREWLUFMVYDH-UHFFFAOYSA-N 449.250 4.191 5 20 IIBD CC(=O)NCc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)sc2C)s1 30157244 AAERTMNYCUVQDC-UHFFFAOYSA-N 430.511 4.285 5 20 IIBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H](c1ccc2c(c1)CCCC2)c1cccs1 57851806 BDIPSUOUELHKDX-HSZRJFAPSA-N 449.532 4.171 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 58059135 RQAUNEUTUQSGMF-UHFFFAOYSA-N 445.884 4.230 5 20 IIBD CC(C)OCc1ccccc1CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 61496970 VQZLGPPSBOMTLB-UHFFFAOYSA-N 426.391 4.391 5 20 IIBD COC(=O)c1ccoc1CSc1ccccc1C(=O)NCCc1ccc([N+](=O)[O-])cc1 64779097 VPJCDBHPJZDIHR-UHFFFAOYSA-N 440.477 4.239 5 20 IIBD CCn1c(-c2ccc(-c3cccc([N+](=O)[O-])c3)o2)nc2cc(S(=O)(=O)N(C)C)ccc21 216275182 CQOZNHLJUSHEOX-UHFFFAOYSA-N 440.481 4.142 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNCc1csc(N(C(C)=O)c2ccc(F)cc2)n1 237203329 WAKSJFQFYUINPR-UHFFFAOYSA-N 430.461 4.173 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(-n3ncc(C(=O)O)c3C(F)(F)F)cc2)cc1[N+](=O)[O-] 237643563 ZJWOVEFLWVLGSL-UHFFFAOYSA-N 434.330 4.058 5 20 IIBD COc1ccc([C@H](Nc2cccc(F)c2[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 301460302 IUDDQONYEQLNSH-FQEVSTJZSA-N 430.457 4.348 5 20 IIBD Cc1ccc(CNC(=O)C2CCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC2)cc1 301849377 DCTFRGLLUACVDU-UHFFFAOYSA-N 430.508 4.498 5 20 IIBD CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)Cc2ccccc2[N+](=O)[O-])nc1C 302383021 ZQACVTJSZCDHQS-UHFFFAOYSA-N 439.493 4.312 5 20 IIBD O=C(CCc1ncc(-c2ccccc2Br)o1)NCc1ccc([N+](=O)[O-])cc1 409929107 IBNAUBMBPYJOOU-UHFFFAOYSA-N 430.258 4.261 5 20 IIBD CC(C)c1ccc2c(c1)[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)CC2 427403980 LAOWQNBCVYSJJU-MRXNPFEDSA-N 433.411 4.062 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCc1ccc(Oc2cccc(F)c2)nc1 428048323 LPLIXQBQCKQOQH-UHFFFAOYSA-N 448.410 4.165 5 20 IIBD C[C@H]1CCN(CCOc2ccc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])cc2)C1 431326386 BTZWIRADOKUHFG-AWEZNQCLSA-N 448.317 4.330 5 20 IIBD CC[C@H](CNC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)Oc1cccc(C(F)(F)F)c1 431435067 YLJMUXMWFRNZJU-CQSZACIVSA-N 449.385 4.455 5 20 IIBD C[C@H]1CN(CCCNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCCO1 432367059 IFEDZWKDJMICTA-FQEVSTJZSA-N 449.555 4.038 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCn2cccc2[C@@H]1c1ccccc1 432369937 DBVUIVLYIOPBNR-IBGZPJMESA-N 426.270 4.404 5 20 IIBD O=C([C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1CC=C(c2ccc(Cl)cc2)CC1 434260108 KEDLODDRNUNHRE-QGZVFWFLSA-N 445.928 4.230 5 20 IIBD COC(=O)C[C@H]1CCCN1C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 435280436 NPVSFBFBZFRMPX-MRXNPFEDSA-N 431.876 4.028 5 20 IIBD CN(C)[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1cccs1 435814338 UBKYWKSVVMICRI-GOSISDBHSA-N 427.476 4.054 5 20 IIBD COCc1nc(CNC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c(-c2ccccc2)s1 441005437 ZGPDRKYFFVNDBD-AWEZNQCLSA-N 426.498 4.425 5 20 IIBD C[C@H]1C[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CN1Cc1ccccc1 444230324 XYKSBJXNAAQAFI-MAUKXSAKSA-N 447.485 4.352 5 20 IIBD C[C@@H]1C[C@H](NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CN1Cc1ccccc1 444230329 XYKSBJXNAAQAFI-QAPCUYQASA-N 447.485 4.352 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc2noc(-c3ccc(F)cc3)c2c1 444645965 RKANGYRVRKNHFP-UHFFFAOYSA-N 431.383 4.348 5 20 IIBD O=C(NCc1ccc(OC(F)(F)F)cc1)c1sc(Br)cc1[N+](=O)[O-] 444828844 UDWXTIYEYXLCTA-UHFFFAOYSA-N 425.182 4.247 5 20 IIBD CCCc1c(NC(=O)c2cc(C(=O)OCC)cc([N+](=O)[O-])c2)cnn1-c1cccc(C)c1 446984516 IVPZBRKVKNLTIM-UHFFFAOYSA-N 436.468 4.470 5 20 IIBD CCc1cc(N2CCC[C@@H](Nc3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])C2)ncn1 447666672 BMFKARQUUWCBME-GFCCVEGCSA-N 446.380 4.077 5 20 IIBD O=C(c1ccc(Cl)cc1)C1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1 447802739 NJLWFTNTBNDTJL-UHFFFAOYSA-N 443.931 4.180 5 20 IIBD C[C@@H](c1cnn(C)c1)N(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CCc1ccccc1 460412514 NFQFVASNWHKFTM-KRWDZBQOSA-N 431.500 4.027 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 460823104 PEMANLFMNJGNFM-UHFFFAOYSA-N 445.884 4.230 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(N3C[C@H]4CC[C@H]3c3ccccc34)n2C[C@H]2CCCO2)cc1 461181893 UMTOZFLLWWNVEA-JUXOCIIHSA-N 431.496 4.471 5 20 IIBD CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccccc1 461339139 JHFQRHPKKGOCKZ-NRFANRHFSA-N 442.475 4.080 5 20 IIBD Cc1cccc(-c2nnc(N(C)CCc3ccccc3[N+](=O)[O-])n2Cc2cccs2)n1 461479734 KPEPEIHRXOILEX-UHFFFAOYSA-N 434.525 4.345 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCc4cc(F)ccc4C3)n2C[C@H]2CCCCO2)c1 461819471 STRLMDRJFYLUEA-OAQYLSRUSA-N 437.475 4.124 5 20 IIBD CN([C@@H]1CCCN(c2ccccc2)C1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 462137031 KJCZIFWHHZITQV-OAHLLOKOSA-N 444.340 4.191 5 20 IIBD CN(C)c1cccc([C@@H]2CCCN2S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 462334159 LNBOKYLFVJXHSB-INIZCTEOSA-N 444.340 4.493 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)nc1 462503696 RXMPDRKASMDLNE-INIZCTEOSA-N 434.452 4.088 5 20 IIBD COc1ccc(Cl)cc1CN1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 462920429 ZJMYOVDSJSBAPS-UHFFFAOYSA-N 427.835 4.180 5 20 IIBD CCN(C(=O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1nc2ccccc2s1 464782019 UZXPCZUFUSZODR-UHFFFAOYSA-N 440.525 4.101 5 20 IIBD C[C@@H]1OCC[C@]12CN(C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)C[C@@H](C)O2 468526343 CFKAJRONGFEUOQ-VVBPWWLESA-N 434.558 4.286 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CC[C@H](c2c(F)cccc2F)C1 469371201 KTLLSHCJJAQKKJ-NSHDSACASA-N 430.329 4.444 5 20 IIBD C[C@@H](C(=O)NCc1cnn(-c2ccc(Br)cc2)c1)c1ccc([N+](=O)[O-])cc1F 470349527 KESMEMOYRPIZJS-GFCCVEGCSA-N 447.264 4.102 5 20 IIBD Cc1nc2c(C(=O)N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)cccc2o1 470752025 SSZWWSBVEHHYEM-UHFFFAOYSA-N 434.374 4.026 5 20 IIBD CC(C)(Cc1ccc(Cl)cc1Cl)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 471541238 KULVVTVRBXQGKO-UHFFFAOYSA-N 445.324 4.056 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[C@@]4(C3)OCc3ccccc34)cc2[N+](=O)[O-])C1 471607604 WDECPZMRFYIMTE-ATLLOTDBSA-N 435.524 4.349 5 20 IIBD COc1cc(CCNC(=O)[C@H](C)c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])cc1OC 471675876 JLEYQQVQRBYASS-LLVKDONJSA-N 427.284 4.381 5 20 IIBD CCc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1[N+](=O)[O-] 471683038 PDSZUZFDBRXVKY-UHFFFAOYSA-N 425.466 4.210 5 20 IIBD Cc1c(COc2ccccc2)cccc1NC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] 473219340 FHOITDFMSVFNBQ-UHFFFAOYSA-N 433.464 4.079 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@H](c2cccc(F)c2)C1 478221684 CPCXPYBBYHOXQP-RDJZCZTQSA-N 446.500 4.455 5 20 IIBD O=C(N[C@H]1[C@@H]2c3ccccc3C[C@H]21)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 478560174 NOBSWFYAAFAJKR-FSPWUOQZSA-N 429.263 4.155 5 20 IIBD COc1cc(CNc2cc(C)cc(N3CCN(C(C)C)CC3)c2)c([N+](=O)[O-])cc1OC 480455157 SHCVOCWBZZVKEW-UHFFFAOYSA-N 428.533 4.063 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@@H]4[C@@H](CCCN4Cc4ccccc4)C3)n2)cc1 485361513 NTRNCZCKHUXUTC-RBBKRZOGSA-N 433.512 4.131 5 20 IIBD COC(=O)c1cc(NC(=O)c2csc(Cc3ccc(C)cc3)n2)c(C)c([N+](=O)[O-])c1 485969099 XEMOWRMGFSZEJI-UHFFFAOYSA-N 425.466 4.298 5 20 IIBD CC(C)Cn1nccc1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 486335714 ABVLPZVWEBLLAJ-UHFFFAOYSA-N 444.495 4.481 5 20 IIBD CSc1cccc(C(=O)N2CC[C@@]3(CCCN(Cc4ccccc4)C3)C2)c1[N+](=O)[O-] 486428461 KMWZJHMHKKOERM-HSZRJFAPSA-N 425.554 4.445 5 20 IIBD COC(=O)c1cc(NC(=O)NCc2ccc(F)cc2C(F)(F)F)c(C)c([N+](=O)[O-])c1 486866432 IQKFVWMAYASOSQ-UHFFFAOYSA-N 429.326 4.169 5 20 IIBD Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 487019826 HMQAIBUJEUGJPN-UHFFFAOYSA-N 431.905 4.354 5 20 IIBD Cc1c(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)nnn1-c1cccc([N+](=O)[O-])c1 487279945 XADOONSRUIMCOA-VSKRKVRLSA-N 431.496 4.282 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc1[N+](=O)[O-] 487817013 KVIBNXOUFJKWQI-NWDGAFQWSA-N 427.427 4.400 5 20 IIBD CNC(=O)c1cc(Oc2ccccc2NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)ccn1 487932531 KDVMIOYBSRCRRV-UHFFFAOYSA-N 426.816 4.047 5 20 IIBD CC(C)(C)C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)c1ccc(F)cc1 487938057 FJSHYOFTQAFMLW-GOSISDBHSA-N 425.460 4.343 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N[C@@H](CO)c2ccc(Br)c(F)c2)c1Br 488727342 WRXXFPSEWWRHEF-NSHDSACASA-N 449.074 4.108 5 20 IIBD CC[C@H](C)c1nc([C@H](C)NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)n[nH]1 489169490 PKUJVVJEZWKWCR-KKUMJFAQSA-N 437.504 4.286 5 20 IIBD CCOc1ccc(C2(CNC(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CCOCC2)cc1 489357218 BNIGNWJIUZOVDA-SFHVURJKSA-N 441.528 4.411 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(C(=O)C3CCC3)cc2)ccc1[N+](=O)[O-] 489697583 BPKAJWYZGHPFNP-OAQYLSRUSA-N 435.480 4.129 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1ccccc1OCc1ccccc1 492511875 RBUCWLAWMMCXNK-MSOLQXFVSA-N 447.491 4.170 5 20 IIBD Cc1ccccc1-c1nc(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)no1 493213476 DKHJRIYOYGCAEA-UHFFFAOYSA-N 443.463 4.495 5 20 IIBD O=C(Nc1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc([N+](=O)[O-])c2cccnc12 497900016 RVEWVIKIWZRKBR-UHFFFAOYSA-N 448.460 4.196 5 20 IIBD COc1ccc(NC(=O)c2cccc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)c2)cn1 499551004 CRIYMOQZOONIST-UHFFFAOYSA-N 447.451 4.077 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC(c2ccc(Br)cc2)CC1 499649231 WPTDBQRCONRFBL-UHFFFAOYSA-N 439.331 4.067 5 20 IIBD CC(C)n1ccnc1CN1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 501298900 FGQZLGSSCNHKEY-UHFFFAOYSA-N 425.558 4.419 5 20 IIBD C[C@H]1CCCN(c2ccc(C(=O)N3CCC(n4cc(Cl)cn4)CC3)cc2[N+](=O)[O-])C1 503228829 FHQGHEBDACXPAX-HNNXBMFYSA-N 431.924 4.158 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNc3cccc(CN4CCOCC4)n3)o2)c(Cl)c1 503266999 SKENZYFHOOAKCJ-UHFFFAOYSA-N 428.876 4.348 5 20 IIBD Cc1cc(N2C[C@@H](c3nc(-c4cccc([N+](=O)[O-])c4)no3)CC2=O)ccc1Br 505031282 WAIRMPLNMZWTDZ-ZDUSSCGKSA-N 443.257 4.236 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NC3CCN(c4ccccc4)CC3)cc2[N+](=O)[O-])C1 507598247 GOJIYZDHDHCWCD-OALUTQOASA-N 436.556 4.476 5 20 IIBD C[C@H](c1cccc(Br)c1)[S@@](=O)CCC(=O)Nc1ccccc1[N+](=O)[O-] 507683411 KQGHPENWCWWXOF-YDBLSZJJSA-N 425.304 4.196 5 20 IIBD COc1ccc(CNC(=O)CCSc2ncnc3sc(C)c(C)c23)cc1[N+](=O)[O-] 509184048 LAGRFPYRHXWDSO-UHFFFAOYSA-N 432.527 4.024 5 20 IIBD COc1cc(F)c([C@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 510726211 VDDPZSIOMKUAPD-WDEREUQCSA-N 426.828 4.049 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccccc1 513867044 ZXBHPOIHMVCZQG-OTNPHJDUSA-N 441.915 4.475 5 20 IIBD CC(=O)Nc1ccc(-c2csc(NC(=O)COc3ccc([N+](=O)[O-])c(C)c3)n2)c(F)c1 514852056 WUXXHQYEUOTJOE-UHFFFAOYSA-N 444.444 4.142 5 20 IIBD CCCc1[nH]nc(C(=O)NCC2(c3ccc(Cl)cc3Cl)CCOCC2)c1[N+](=O)[O-] 517632740 GMHSSJHXIOSQED-UHFFFAOYSA-N 441.315 4.055 5 20 IIBD CCN1CC[C@@H](N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2Cc2ccccc2)[C@@H](C)C1 518634177 YFYFLOULYSZCTM-PGRDOPGGSA-N 434.544 4.068 5 20 IIBD CC(C)N(Cc1cc(Br)ccc1F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F 519891811 UJSLKBPHPRQQGB-UHFFFAOYSA-N 449.273 4.235 5 20 IIBD CCC[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 522878854 DONRUWDCHYJMHP-FQEVSTJZSA-N 444.919 4.386 5 20 IIBD C[C@H]1CN(CC2CCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 524222990 YPPMAABLUBHVQV-OALUTQOASA-N 437.540 4.151 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)N2CCCC[C@H]2c2ncc(-c3cccc(F)c3)[nH]2)c1 530441255 JFVWPVCPHYBOSC-IBGZPJMESA-N 430.461 4.040 5 20 IIBD COc1ccc(CN2CCC(C(=O)Nc3ccccc3Br)CC2)cc1[N+](=O)[O-] 533372860 DWQZTWLLZCLNOR-UHFFFAOYSA-N 448.317 4.217 5 20 IIBD CN(Cc1ccc(Cl)c(F)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 534243252 YVLYCSDLXJWPLS-UHFFFAOYSA-N 426.775 4.227 5 20 IIBD O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CCC[C@H]1c1ccsc1 535736513 PXPPROHQAXGPON-AWEZNQCLSA-N 428.251 4.238 5 20 IIBD O=C(CCc1nc2cc(Br)ccc2s1)NCCc1cccc([N+](=O)[O-])c1 536237528 GCCYBCJERMHCPH-UHFFFAOYSA-N 434.315 4.259 5 20 IIBD CCCOc1cc(NC(=O)N2CCC[C@H](c3n[nH]c(C)n3)C2)c([N+](=O)[O-])cc1OCCC 538663900 HZIBVZAAGPUURG-HNNXBMFYSA-N 446.508 4.010 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc3sc(C(=O)O)cc3c2)cc1[N+](=O)[O-] 538728998 KGMOGQYBGAAQEB-UHFFFAOYSA-N 432.479 4.388 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C3)cs1 540101463 OTCGDNRUERQVKD-UHFFFAOYSA-N 428.539 4.393 5 20 IIBD CC(=O)NCc1ccc(-c2csc(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)n2)s1 541584112 YORZLSZLMMEXLQ-JTQLQIEISA-N 448.501 4.297 5 20 IIBD CCc1ccc([C@H](NCCNC(=O)c2c(F)cccc2F)c2ccc([N+](=O)[O-])cc2)o1 542493814 BTRXZGKNBQRNAO-OAQYLSRUSA-N 429.423 4.137 5 20 IIBD COc1cccc([C@@H]2C[C@@H](C)CN2CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1 544118608 YWYAIJYSBAZNKJ-YJYMSZOUSA-N 448.317 4.388 5 20 IIBD CCOc1cccc2cc([C@@H](C)NCCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)oc12 544484614 PVTMETIFAZIUJP-CQSZACIVSA-N 427.457 4.428 5 20 IIBD O=C(c1ccc(Cl)cc1NCCc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1CCO 544640556 WRUPYCNUQHNZRO-SFHVURJKSA-N 431.920 4.280 5 20 IIBD Cn1cnnc1Sc1ccc(-c2nc(-c3cccc4cnccc34)no2)cc1[N+](=O)[O-] 545788147 WGDVIRXQQDEMAU-UHFFFAOYSA-N 431.437 4.140 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)c1 549295933 NIARVJYSZNZKTC-UHFFFAOYSA-N 431.448 4.449 5 20 IIBD COC(=O)[C@@H](NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc(Br)cc1 549527313 JTTMNFTVVKEWRP-HNNXBMFYSA-N 447.207 4.380 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC1CCN(CCc2ccccc2)CC1 550597771 ZNIWZIJVLNUBAJ-UHFFFAOYSA-N 446.345 4.103 5 20 IIBD COc1ccc(Br)c2[nH]c(C(=O)N(C)CCc3ccccc3[N+](=O)[O-])cc12 553087620 SRBHBNGZGDXKID-UHFFFAOYSA-N 432.274 4.162 5 20 IIBD CCOC(=O)c1c(Cn2cc([N+](=O)[O-])ccc2=O)nc2ccccc2c1-c1ccccc1 556291032 ZMKOHZIPXMCTCZ-UHFFFAOYSA-N 429.432 4.197 5 20 IIBD CC(C)(C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1)c1ccccc1[N+](=O)[O-] 560294247 OCXCELWZVOKIET-UHFFFAOYSA-N 445.903 4.109 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[C@H](Oc2ccc(Cl)cc2)C1 571078309 JUISSPCDKSLVKA-IBGZPJMESA-N 429.904 4.145 5 20 IIBD Cc1ccc(-c2noc([C@H]3CCO[C@@H]3c3ccnn3Cc3ccccc3)n2)cc1[N+](=O)[O-] 572522317 HDNBLPOFGRKRCL-RXVVDRJESA-N 431.452 4.443 5 20 IIBD COc1cc(CCNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)ccc1Cl 578902688 JCEILJGSRBAWDE-UHFFFAOYSA-N 435.267 4.111 5 20 IIBD CC(=O)N(c1ccc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@H]1C[C@@H]1C 580944530 UKQZQBDXDBPSIO-UGSOOPFHSA-N 431.876 4.417 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCOc2ccc(Br)cc2C1 584219704 XDWZXGFVIMQNGJ-UHFFFAOYSA-N 426.654 4.437 5 20 IIBD O=C(Nc1cccc(Br)c1Cl)N1CCOc2ccc([N+](=O)[O-])cc2C1 584261647 OICYVKNGKSCIDN-UHFFFAOYSA-N 426.654 4.437 5 20 IIBD CNC(=O)c1ccc(NC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc1 600882282 CROQXGHONTUVIO-UHFFFAOYSA-N 449.488 4.160 5 20 IIBD O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1C(F)(F)F)c1ccc([N+](=O)[O-])s1 603761226 BZJYWDVCBWREJF-GFCCVEGCSA-N 429.376 4.045 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 603769809 RACITJARTUNNTI-KURKYZTESA-N 443.569 4.001 5 20 IIBD CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 603961113 FFZZNZZKVOODEA-SNVBAGLBSA-N 425.413 4.274 5 20 IIBD COc1ccccc1[C@H](CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)N1CCCCC1 604097421 KWLSBWBYVQXQNG-UTKZUKDTSA-N 426.517 4.191 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@H](CC(=O)O)c3ccccc3)CC2)c1 604498311 KLSOBPYBWLPTNN-GOSISDBHSA-N 428.510 4.427 5 20 IIBD Cc1cccn2cc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])cc5c4OCCO5)cc3)nc12 608959792 ILGQYNYDNRZPLG-UHFFFAOYSA-N 430.420 4.241 5 20 IIBD COc1ccc(-c2nsc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 609127597 LCGQFPLUKLAFOH-JTQLQIEISA-N 434.861 4.181 5 20 IIBD CCN(CC)[C@@H](CNC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1ccccc1Cl 609489857 CKLPKMNERBGPPS-FQEVSTJZSA-N 442.903 4.315 5 20 IIBD O=C(CCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(c2ccccc2)CC1 609919226 QSMKVQMITBWHML-UHFFFAOYSA-N 448.523 4.073 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 610131471 VQPGYOIXVGTNAQ-UHFFFAOYSA-N 445.504 4.229 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2ccc(CC(F)(F)F)cc2)c1 610194303 YDXSVWLPMUWSQM-UHFFFAOYSA-N 439.209 4.263 5 20 IIBD CC(C)N(Cc1ccc(-c2ccc(F)cc2)s1)S(=O)(=O)c1cccnc1[N+](=O)[O-] 610261824 HAZVKZMVRACPGV-UHFFFAOYSA-N 435.502 4.457 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(CCNC(=O)OC(C)(C)C)cc1 726070551 PPKFVUBMOCYPHQ-UHFFFAOYSA-N 428.489 4.292 5 20 IIBD COC(=O)c1sc2cccc(F)c2c1Cn1c(C)nc([N+](=O)[O-])c1Br 726431205 RHNCATZENBJFPJ-UHFFFAOYSA-N 428.239 4.051 5 20 IIBD CCCCCC(=O)Nc1ccc(C(=O)Cn2c(C)nc([N+](=O)[O-])c2Br)cc1 726431586 CIKMQXFIHZQFBJ-UHFFFAOYSA-N 437.294 4.264 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OCCCOc2cccc(Cl)c2)ccc1[N+](=O)[O-] 726675728 VXWSJLLPZVVEPX-HXUWFJFHSA-N 446.887 4.174 5 20 IIBD C[C@@H](OC(=O)Cc1ccc(Cl)cc1Br)C(=O)Nc1ccccc1[N+](=O)[O-] 733606383 SCNKVEULPBAKMX-SNVBAGLBSA-N 441.665 4.124 5 20 IIBD CC(=O)N[C@@H](CC(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Cl)cc1 735444268 YEPCTIMDWHRNAD-IBGZPJMESA-N 443.843 4.214 5 20 IIBD O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 735905729 VNDKBUMRGIRYIS-INIZCTEOSA-N 441.292 4.160 5 20 IIBD C[C@@H](Cc1ccc(Cl)cc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 736641391 OPLOOUXKXOKRGG-NSHDSACASA-N 447.738 4.262 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 737981333 WHBISUCPAHXWLM-WAIKUNEKSA-N 426.469 4.103 5 20 IIBD C[C@@H]1CN(c2nc3ccc([N+](=O)[O-])cc3s2)CCN1C(=O)Cc1cccc(Cl)c1 742426424 UTDSQQISIJQBSO-CYBMUJFWSA-N 430.917 4.138 5 20 IIBD CCCCc1nnc(S[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)n1N 742454879 PPOMCJZKCXUUEH-IBGZPJMESA-N 440.529 4.023 5 20 IIBD CCC[C@H]1[C@H](C)CCCN1C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 742798867 YSIZVQJBBVFGIE-IERDGZPVSA-N 446.525 4.403 5 20 IIBD O=C([C@H]1C[C@]12CCc1ccccc12)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 743333301 NIQDHTVELHCEEF-KNQAVFIVSA-N 445.441 4.166 5 20 IIBD CC(C)c1ccc(C(=O)[C@H](C)OC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 745029865 QHCBODKMCMZAPQ-WMLDXEAASA-N 444.509 4.199 5 20 IIBD CC(C)C(=O)Nc1ccc(Cl)c(C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 745187154 VANLZFLVCBNVLR-UHFFFAOYSA-N 444.831 4.250 5 20 IIBD COc1cc(C(=O)Nc2ccccc2CN(C)C(=O)OC(C)(C)C)c([N+](=O)[O-])cc1OC 745340017 ZVLICOAKDNHSPT-UHFFFAOYSA-N 445.472 4.231 5 20 IIBD O=C(Cc1cc(-c2ccccc2)on1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 746174999 UKQHEJAJJPAYBP-UHFFFAOYSA-N 434.374 4.039 5 20 IIBD COc1ccc(-c2nc(COC(=O)Cc3cccc([N+](=O)[O-])c3C)cs2)cc1OC 748469261 CXTWCVHIAYDRHB-UHFFFAOYSA-N 428.466 4.330 5 20 IIBD C[C@@H](NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 750682336 DDYPGFNSXACXIB-OLZOCXBDSA-N 426.901 4.405 5 20 IIBD C[C@@H]1CN(c2ccccc2NC(=O)c2cc([N+](=O)[O-])ccc2Br)C[C@@H](C)O1 751093037 JLFZSVUXVRASAD-CHWSQXEVSA-N 434.290 4.223 5 20 IIBD CN(Cc1ccccc1-c1ccccc1)C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 751188728 ADSYXKYBXKMCTD-LJQANCHMSA-N 447.466 4.412 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1cc(F)ccc1[N+](=O)[O-] 751281696 UONWWAPUVJAWGX-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD CCCc1c(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cnn1C1CCCC1 751846989 ZPEUWOIPVAZANQ-OAHLLOKOSA-N 428.489 4.351 5 20 IIBD COc1cc(CN2CCC[C@H](C3(C)OCCO3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 753593749 GJPPZHPQSFSXFF-FQEVSTJZSA-N 442.512 4.157 5 20 IIBD CN(C)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1ccc(Cl)cc1 755020860 JHBSWVYNMJYCMG-OAHLLOKOSA-N 444.688 4.183 5 20 IIBD O=C(NCc1nnc(-c2ccccc2)s1)Nc1ccc(Br)c([N+](=O)[O-])c1 755031809 VNYKCYGJOCZSMK-UHFFFAOYSA-N 434.275 4.198 5 20 IIBD O=C(Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1)C(F)(F)c1nccs1 756704144 GZJBGPZOYIRDOB-UHFFFAOYSA-N 431.380 4.228 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 757181539 IOAPCHMZKPGNTA-HXUWFJFHSA-N 441.509 4.110 5 20 IIBD Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)cnn1C 757193147 LQVDJVKIMBQMLH-UHFFFAOYSA-N 433.512 4.348 5 20 IIBD Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c(Cl)c1 758730527 IIOJPNHIEWPDON-ZDUSSCGKSA-N 429.860 4.459 5 20 IIBD C[C@H](Cc1nc(Cc2ccccc2[N+](=O)[O-])no1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 761343558 IKKNSADTUWHRHL-WBVHZDCISA-N 430.505 4.394 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(CCc3ccc(OC(F)F)cc3)no2)ccc1-n1ccnc1 762121035 FYYVBJMAQIDXRZ-UHFFFAOYSA-N 427.367 4.217 5 20 IIBD Cc1cc(Cc2noc(-c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)n2)ccc1[N+](=O)[O-] 762298340 LUWPHXAZFNMTLC-UHFFFAOYSA-N 448.439 4.314 5 20 IIBD C[C@H](C(=O)O[C@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 763403595 NARBQDFYXRXABQ-DLBZAZTESA-N 425.485 4.259 5 20 IIBD O=C(Nc1nccc2sccc12)c1cc([N+](=O)[O-])ccc1I 763578605 JGAMWBRAEKKOHU-UHFFFAOYSA-N 425.207 4.061 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 763814003 JPOXOQSFIRXDBY-UHFFFAOYSA-N 439.833 4.064 5 20 IIBD O=C1CN(CNC2(c3cccc(Cl)c3)CCCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 764134411 RCUQIECDECMZJE-UHFFFAOYSA-N 428.876 4.033 5 20 IIBD O=C(OCc1ccc(Oc2ccccc2)nn1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 766079831 AESPMBOOAUESMR-UHFFFAOYSA-N 449.341 4.475 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1cc2ccccc2o1 766230904 OPUPTAOWNDOENI-UONOGXRCSA-N 433.420 4.312 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 767192546 AQAPHBKTTUWKLC-HNNXBMFYSA-N 430.386 4.429 5 20 IIBD COc1cc(CNC(=O)c2sc(Br)cc2[N+](=O)[O-])ccc1OC(C)C 770193699 XKJDPWKRYMVKJV-UHFFFAOYSA-N 429.292 4.145 5 20 IIBD C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)CCO1 770267462 GAWREJTWWPFXQC-GHTZIAJQSA-N 437.540 4.351 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC=C(c2ccc3c(c2)OCCO3)CC1 771461607 GXBAQPCXBNOJTP-CQSZACIVSA-N 443.887 4.136 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 772233242 QGOAVZGCHXBODP-UHFFFAOYSA-N 433.471 4.249 5 20 IIBD C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 772864296 QFMWYLJHHISNCI-ZWKOTPCHSA-N 449.551 4.011 5 20 IIBD O=C(CSc1cnc2ccccc2n1)OCc1ccc(Br)c([N+](=O)[O-])c1 773356616 YMWRKRKFIWPKPF-UHFFFAOYSA-N 434.271 4.136 5 20 IIBD Cc1ccc(N2C[C@H](C(=O)O[C@@H](c3cccnc3)c3ccccc3[N+](=O)[O-])CC2=O)cc1F 776137845 NWACYCSRXLQFAE-HXOBKFHXSA-N 449.438 4.123 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N(C)c2cccc(Br)n2)CC1 776376934 FVDQMLMYBDWTFB-UHFFFAOYSA-N 433.306 4.265 5 20 IIBD C[C@@H]1C[C@@H](C(=O)O[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)CCO1 776420396 WUGBRFQVXNOWKF-WTANOLMUSA-N 432.860 4.286 5 20 IIBD CSc1cccc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-] 777074929 QMKNDDZKQCJKRE-UHFFFAOYSA-N 449.794 4.179 5 20 IIBD CCCC1=C(C(=O)OCC)[C@H](c2ccc([N+](=O)[O-])cc2F)NC(=O)N1Cc1nccs1 777947212 RCHRPPMSGBUIAU-SFHVURJKSA-N 448.476 4.074 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 779164550 XRESHMSSYFVKLL-STQMWFEESA-N 428.327 4.092 5 20 IIBD CCOc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 781259042 GFVSWRHACBHFST-HNNXBMFYSA-N 430.460 4.264 5 20 IIBD C[C@@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCCN(C2CCC2)C1 781449739 VFKOGCMMDHAZLJ-OLZOCXBDSA-N 425.327 4.132 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(COC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)cc1OC 781648118 DGXPYMGDERMCRP-PMRDEQMMSA-N 433.501 4.467 5 20 IIBD CCN(CC)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccsc1 782165866 COZFMCNMOFHQTG-HNNXBMFYSA-N 426.336 4.232 5 20 IIBD C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 782379016 GVKIXZZFJDYKPB-JTQLQIEISA-N 446.765 4.216 5 20 IIBD NC(=O)c1c(Cl)cccc1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 783858106 JHHGADGSOXEMHD-UHFFFAOYSA-N 425.828 4.178 5 20 IIBD CC(C)n1cc2c(n1)[C@H](Nc1cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c1Cl)CCC2 785845940 VKPCNEQKNBLHRM-MRXNPFEDSA-N 428.880 4.061 5 20 IIBD O=C(NOC[C@H]1CCOC1)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 788573337 DLPACNDEZXTGPW-LBPRGKRZSA-N 431.495 4.054 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 790912631 XAOUCSGLHAXJSF-KRWDZBQOSA-N 444.793 4.131 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2nc3cccnc3s2)c2ccccc2)c([N+](=O)[O-])c1 792402656 SRBWFASDHQFVPO-SFHVURJKSA-N 448.460 4.445 5 20 IIBD O=C(Nc1ccc(OS(=O)(=O)c2ccsc2)cc1)c1cc([N+](=O)[O-])ccc1Cl 795777905 ROPOWNBJSGVTSM-UHFFFAOYSA-N 438.870 4.330 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(COC(=O)c2cc3nccnc3cc2F)cc1OC 795871432 ZCUULUNXZODLFK-ZDUSSCGKSA-N 443.431 4.468 5 20 IIBD CCc1onc(-c2ccccc2)c1C(=O)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 796663238 WLPJAGNLHMUOIH-UHFFFAOYSA-N 443.843 4.052 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@H](C)[C@@H]3OCCc4sccc43)CC2)ccc1[N+](=O)[O-] 796906009 DCVNVISHJGWJEP-SZNDQCEHSA-N 446.525 4.127 5 20 IIBD CN(CC(=O)O[C@@H](c1ncccn1)C1CCCC1)c1cc(Br)ccc1[N+](=O)[O-] 797142731 DOKHLXMPQDOKEG-GOSISDBHSA-N 449.305 4.058 5 20 IIBD CS(=O)(=O)C1(COC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CC1 799711793 WPHGOVPPRGIPJN-UHFFFAOYSA-N 441.914 4.133 5 20 IIBD CC(C)(C)OC(=O)NCc1ccc(OC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1 802955015 LZJSLQJZTPCPOD-UHFFFAOYSA-N 438.440 4.024 5 20 IIBD C[C@H](OC(=O)[C@@H](O)c1cccc(C(F)(F)F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 803809355 XSQDOYDXENCCCZ-BONVTDFDSA-N 437.330 4.001 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCN(Cc2c(F)cccc2Cl)CC1 809918731 MDHYRDZWMYEQQY-UHFFFAOYSA-N 427.263 4.390 5 20 IIBD C[C@H](OC(=O)c1ccc2c(c1)CCCCC2=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 811422115 HRPNDWMXKJTUNB-LBPRGKRZSA-N 430.844 4.341 5 20 IIBD CC(C)(CCc1noc([C@H]2CC(=O)N(c3ccc4c(c3)Cc3ccccc3-4)C2)n1)[N+](=O)[O-] 812813678 PXNGYJFEZYYUNZ-KRWDZBQOSA-N 432.480 4.149 5 20 IIBD CCOC(=O)C[C@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccc(F)cc1 812930070 HUMYKXLXZGAODX-HNNXBMFYSA-N 429.231 4.465 5 20 IIBD COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813249509 NIGIZUAUZMHYGR-RISCZKNCSA-N 425.268 4.052 5 20 IIBD COc1ccccc1N(C(=O)c1cc([N+](=O)[O-])ccc1I)C(C)C 813303488 NJWRGCKWLWXVBG-UHFFFAOYSA-N 440.237 4.263 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 814241457 PJBJRTPKWJDTKI-UHFFFAOYSA-N 446.503 4.148 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(N=S(C)(C)=O)cc2)CC1 820354190 PDABEYDRWMLQGR-UHFFFAOYSA-N 430.530 4.443 5 20 IIBD Cc1ccc(NC(=O)c2nnc(COC(=O)c3ccc(Cl)cc3[N+](=O)[O-])s2)cc1 844265529 XGZVAGSKSBGRNR-UHFFFAOYSA-N 432.845 4.017 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)CCOc1ccc2ccccc2c1 914913978 BWPQZCHRCIRGNU-OAHLLOKOSA-N 438.436 4.096 5 20 IIBD C[C@H](Nc1ccc(C(=O)OCc2nc(-c3ccco3)no2)cc1[N+](=O)[O-])c1ccccn1 920546971 MKICVNXVGATNLW-ZDUSSCGKSA-N 435.396 4.163 5 20 IIBD COc1ccc(COC(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1[N+](=O)[O-] 920572091 AYMCRTDCJGJHJZ-ZDUSSCGKSA-N 439.251 4.007 5 20 IIBD COc1ccc(C(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)c2ccc(OC)cc2)cc1 1251220650 NJAFCIJGRKGRDC-UHFFFAOYSA-N 435.480 4.243 5 20 IIBD O=C(N[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 1318132657 VADTXULIWZEWTM-LJQANCHMSA-N 445.475 4.422 5 20 IIBD Cc1ccc([C@H](C)NC(=O)NCc2ccccc2CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] 1319002603 MMTREBAAUCMWIB-INIZCTEOSA-N 442.516 4.488 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1 1322363525 NKUBIRDSROGLBC-UHFFFAOYSA-N 439.859 4.214 5 20 IIBD COc1ccc(Br)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 1324320818 CTWXUEDCGCBUGW-SECBINFHSA-N 429.654 4.425 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(O)cc([N+](=O)[O-])c4)CCC3)cc2)o1 1786492341 LACVRWZWNXMESF-UHFFFAOYSA-N 435.436 4.263 5 20 IIBD CC(C)(C)OCC(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3F)CCC2)cc1 1786636745 NKCBJWMSFNEQMZ-UHFFFAOYSA-N 443.475 4.297 5 20 IIBD C/C=C(\C)C(=O)NC1(c2ccc(NC(=O)c3cc(N(C)C)ccc3[N+](=O)[O-])cc2)CCC1 1790056567 OYEDFJTYEKNICJ-FZSIALSZSA-N 436.512 4.375 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1)c1cc2ccoc2cn1 1790186071 GBMKKZUYTKFTTQ-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD CC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCC1 1801206744 XKHQOJGLRIOLNV-MUJYYYPQSA-N 427.526 4.252 5 20 IIBD C/C=C(/C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(C)c([N+](=O)[O-])c2)CC1 1831348445 JLVQJFWKQDELKF-QNFWUTSZSA-N 427.545 4.032 5 20 IIBD CC(C)CC(=O)N1CCC([C@@H]2CCCCN2C(=O)CSc2ccccc2[N+](=O)[O-])CC1 1831775611 DBCBEBITLFXTHB-IBGZPJMESA-N 447.601 4.353 5 20 IIBD CC/C=C(\C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1832513574 ZWZDVVQVALMFKP-YVOIMTDZSA-N 427.545 4.113 5 20 IIBD O=c1c2ccccc2n2c(SCc3ccccc3[N+](=O)[O-])nnc2n1Cc1ccccc1 9947026 XDOOWBXYKLWXIQ-UHFFFAOYSA-N 443.488 4.293 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 10647018 RXWBUMRVAWGZGM-SNVBAGLBSA-N 433.392 4.181 5 20 IIBD COc1ccc([C@H]2CCCN2C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(OC)c1 11549014 IAXQCAIUMNMHDL-LJQANCHMSA-N 425.485 4.190 5 20 IIBD O=C(Nc1ccccc1F)C(=Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1F 16441695 PGKCMPFSKGETPX-UHFFFAOYSA-N 439.374 4.239 5 20 IIBD Cc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 17045117 RKIOZABXEHAVBO-OAHLLOKOSA-N 445.903 4.343 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)c1sc(COc2ccc(F)cc2)nc1C 23555316 SQSSEJTZKCDFPS-UHFFFAOYSA-N 432.429 4.443 5 20 IIBD COc1cc([C@@H](C)NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)ccc1OCC(C)C 25869634 BSLCPONGAAXTEE-MRXNPFEDSA-N 438.484 4.315 5 20 IIBD C[C@@H](OC(=O)Cc1csc(-c2ccccc2Cl)n1)C(=O)Nc1cccc([N+](=O)[O-])c1 26674356 IWJZUANMBLPMJU-GFCCVEGCSA-N 445.884 4.485 5 20 IIBD CCCCc1noc([C@H](C)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 27770114 FKCJOUITCSOMRY-ZDUSSCGKSA-N 427.427 4.222 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCc1ccccc1F 32509569 WLBVZCVFGSAEBZ-UHFFFAOYSA-N 445.472 4.198 5 20 IIBD Cc1ccc(-n2ncc(C(=O)NCCNc3ccc([N+](=O)[O-])cc3)c2C2CC2)cc1Cl 33181097 AQEQWFBVEISAET-UHFFFAOYSA-N 439.903 4.462 5 20 IIBD O=C(COC(=O)c1c2c(nc3ccccc13)CCC2)Nc1cc([N+](=O)[O-])ccc1Cl 137347818 XAZZUBLGCCQSFM-UHFFFAOYSA-N 425.828 4.081 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc([N+](=O)[O-])c1 195690351 SIAUUMSZEZPGRU-UHFFFAOYSA-N 431.514 4.029 5 20 IIBD CC[C@H](Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1 301170517 DXUHHKGQEKWETF-ZDUSSCGKSA-N 437.827 4.478 5 20 IIBD CCN(CC)C(=O)c1ccc(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cc1Cl 303429274 FJBAGZSYCQDVKK-UHFFFAOYSA-N 442.859 4.236 5 20 IIBD O=C(NCC1(c2ccc(F)cc2)CCCC1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303457671 KYSGXBARSMVENZ-KRWDZBQOSA-N 445.516 4.028 5 20 IIBD C[C@@H]1SCCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)[C@@H]1C 303684243 JYEKSAXYAYLCFV-OLZOCXBDSA-N 431.480 4.182 5 20 IIBD CC1CCN(c2ccc(C(=O)NC3(c4ccc(F)cc4)CCOCC3)cc2[N+](=O)[O-])CC1 410025330 JCQAYPIGZKLGEJ-UHFFFAOYSA-N 441.503 4.406 5 20 IIBD COC(=O)[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(OC)c(Cl)c1 428371679 GPVFPNGRJXCZFJ-GOSISDBHSA-N 447.900 4.384 5 20 IIBD O=C(COc1c(Br)cccc1[N+](=O)[O-])N(Cc1ccccc1)CC(F)(F)F 431226894 YONVHOFKDMBKPI-UHFFFAOYSA-N 447.207 4.327 5 20 IIBD Cc1c(Br)ccc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1F 433753723 MTFQCWRTQRVZBO-UHFFFAOYSA-N 437.269 4.159 5 20 IIBD O=C(Nc1ccccc1CCC(F)(F)F)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 437071446 HKDOXRIAMBIGKI-UHFFFAOYSA-N 435.402 4.219 5 20 IIBD CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437200600 PIUMVOWJXODKCO-UHFFFAOYSA-N 431.361 4.096 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 440028425 NCGMMZWCRMLXNX-UONOGXRCSA-N 433.892 4.236 5 20 IIBD COc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c2ccccc2Cl)c(OC)c1 440475372 DYZPQPNBNIGIDU-NRFANRHFSA-N 442.855 4.490 5 20 IIBD C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 440498774 UTIZHUTWDVORKS-ROUUACIJSA-N 447.495 4.296 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCc2c(ncn2CCc2ccccc2)C1 444283378 CPZNWRWYMGWLHZ-UHFFFAOYSA-N 448.526 4.319 5 20 IIBD CCc1[nH]nc(C(=O)N[C@H](c2ccc(OC)cc2C)c2ccccc2Cl)c1[N+](=O)[O-] 444289597 HTRNIQFBOBBNQX-GOSISDBHSA-N 428.876 4.370 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N[C@@H](COc1ccccc1F)c1ccccc1 444981220 OQPMRJGODGSNNI-FQEVSTJZSA-N 449.442 4.230 5 20 IIBD CCOc1cc(-c2noc(CCc3cccc([N+](=O)[O-])c3)n2)cc(Br)c1O 445415264 CSLOLDCFQRDGPY-UHFFFAOYSA-N 434.246 4.297 5 20 IIBD Cc1ccc(OC2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)CC2)cc1 445807219 GWKUVKAIWKDHJT-UHFFFAOYSA-N 433.302 4.278 5 20 IIBD CS(=O)(=O)[C@@H]1CCCCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 446842194 VEGCEQGZMBNVFE-MRXNPFEDSA-N 438.933 4.440 5 20 IIBD CCS(=O)(=O)c1cccc(CC(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 461020402 CLDNPXNLKWNOPR-UHFFFAOYSA-N 438.505 4.164 5 20 IIBD COc1cc(CN2CCO[C@@H](c3cccc(Br)c3)C2)c([N+](=O)[O-])cc1F 463513044 HUCROOOPVCSAGT-GOSISDBHSA-N 425.254 4.079 5 20 IIBD CCOc1cccc2cc([C@H](C)NC(=O)C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)oc12 464005206 JHTVMJFFLZDWOG-AWEZNQCLSA-N 425.441 4.172 5 20 IIBD O=C(Nc1ccc(Oc2ccc(Cl)cn2)cc1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 464145246 PYRROBKBYVGFHP-UHFFFAOYSA-N 436.815 4.269 5 20 IIBD C[C@@H]1SCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)[C@@H]1c1ccccc1 464427199 OYWQNLNXCRWLMH-XOBRGWDASA-N 429.523 4.010 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(I)ccc1Cl 466870014 HNUNVCHOZTWXPV-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD CC1CCN(c2ccc(C(=O)NC[C@@H](C[C@H](C)O)c3ccccc3)cc2[N+](=O)[O-])CC1 468992926 PGURXXLQOMYKRB-GHTZIAJQSA-N 425.529 4.116 5 20 IIBD COCCC1(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCC1 472190227 QIWFXIHXQQQFTC-UHFFFAOYSA-N 448.523 4.313 5 20 IIBD COC(=O)COc1ccc(CNC2(c3ccc(F)cc3F)CCCCC2)cc1[N+](=O)[O-] 473992521 DZCARBVXWJGCSD-UHFFFAOYSA-N 434.439 4.374 5 20 IIBD CCOc1ccccc1Oc1ccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)cn1 477471733 QKCJXHCHOQKBGZ-UHFFFAOYSA-N 425.416 4.179 5 20 IIBD Cc1c(Br)cc(C(=O)N[C@H](C)c2ccc(Br)cn2)cc1[N+](=O)[O-] 477793592 NSPHKALEBVGSNH-SECBINFHSA-N 443.095 4.314 5 20 IIBD O=C(NCc1cccnc1Oc1cccc(F)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 479802659 JJTSJOPBHLRVRF-UHFFFAOYSA-N 433.399 4.037 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1cc2c(cc1Cl)OCCCO2 481595346 HQLRUUUUMPYHTK-UHFFFAOYSA-N 426.256 4.427 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 481968463 ACPHBWNPUYZLQD-UHFFFAOYSA-N 431.514 4.029 5 20 IIBD O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N(CC1CC1)c1cccc(C(F)(F)F)c1 484967468 ZKYGFJZEAYNFML-UHFFFAOYSA-N 431.374 4.251 5 20 IIBD O=C(CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Nc1ccccc1C(F)(F)F 485431655 CQPGOYYCGYOJTD-UHFFFAOYSA-N 437.418 4.486 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NCC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 486190152 AQPHLJVEBFXIRG-KRWDZBQOSA-N 440.481 4.438 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)Nc2ccccc2I)cc1[N+](=O)[O-] 493185684 YUGKNZSMTFTWLP-LLVKDONJSA-N 425.226 4.391 5 20 IIBD CN(Cc1cc(Br)ccc1Cl)C(=O)NCCc1cccc([N+](=O)[O-])c1 494835278 LKLROVFRGMQBQR-UHFFFAOYSA-N 426.698 4.395 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N2C[C@H](CO)c3ccccc32)cc1[N+](=O)[O-] 498284274 DVJPWRJAPBORAE-MRXNPFEDSA-N 448.500 4.284 5 20 IIBD CNC(=O)c1ccc(Cl)c(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 500266668 BGHIQCRCCPPTSQ-UHFFFAOYSA-N 430.892 4.096 5 20 IIBD CCc1noc(C)c1CNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 500914511 GDKDLPCNUQQOOI-UHFFFAOYSA-N 440.422 4.005 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 504556787 WTQOGMOPJOMZTR-FXAWDEMLSA-N 449.479 4.077 5 20 IIBD COc1cc(CN[C@@H](C)c2cccc(N3CCCC3=O)c2)c([N+](=O)[O-])cc1OCC(F)F 505471488 KMLRHTUMCCGGMA-AWEZNQCLSA-N 449.454 4.225 5 20 IIBD CCOC[C@H]1CCCN(c2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2[N+](=O)[O-])C1 505769193 PBMHGAKVNGTRGI-SFHVURJKSA-N 447.557 4.063 5 20 IIBD CC(C)(C)c1ccc(C(C)(C)NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 508275901 SWZKAWJECXEGFS-UHFFFAOYSA-N 429.542 4.135 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCOc1ccc(I)cc1 508354548 LRVOJSZLQRWFKP-UHFFFAOYSA-N 440.237 4.306 5 20 IIBD CCN(C(=O)c1cc([N+](=O)[O-])cc(I)c1C)c1cccc(OC)c1 510478940 ODFHTHRXVLANDY-UHFFFAOYSA-N 440.237 4.183 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N1CCC(c2ccccc2)CC1 510832970 LANPUMYVUSLFBL-UHFFFAOYSA-N 436.249 4.219 5 20 IIBD CCCOc1cc(NC(=O)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OCCC 515261334 BLGOVSKIOALVAU-HRCADAONSA-N 435.521 4.052 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(F)c(NC(=O)Cc2ccccc2)c1 515444327 ZJHKVYVXKLGJQZ-UHFFFAOYSA-N 436.443 4.274 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)c1ccc(OCC(C)C)c(OC)c1 515561630 JMTAEBLANHPBGS-OAHLLOKOSA-N 443.500 4.017 5 20 IIBD Cc1cc(=N[C@@H](c2ccc(Cl)cc2)c2ccn(C)n2)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 517002894 CDJSAPVTJGRSQJ-NRFANRHFSA-N 434.887 4.371 5 20 IIBD O=C(NCc1cc(Br)c2c(c1)OCCO2)c1cc2cc([N+](=O)[O-])ccc2s1 519023056 SWSGKOWZKVWFPM-UHFFFAOYSA-N 449.282 4.273 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1nc(-c2cccc(Br)c2)cs1 519930569 XLFHKFYUZGTAOT-UHFFFAOYSA-N 436.291 4.015 5 20 IIBD CCOc1ccc([C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)c2ccccc2)cc1 520561205 FSVNAHRWVHYNNE-DEOSSOPVSA-N 436.464 4.287 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cc(F)ccc2Sc2nccn2C)cc1C 521058797 BVOVTFKHRKGKOI-UHFFFAOYSA-N 436.490 4.036 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccc(C(=O)N2CCCCC2)c(Cl)c1 521615216 BMUOGOAPXZPGHJ-UHFFFAOYSA-N 430.892 4.233 5 20 IIBD O=C(NCCC(=O)N(Cc1ccccc1)Cc1ccccc1F)c1ccc([N+](=O)[O-])cc1 521760821 NPTAGPZAFCFPQX-UHFFFAOYSA-N 435.455 4.083 5 20 IIBD Cc1c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cccc1S(=O)(=O)NC(C)(C)C 523495399 ZPUBZDABUOOWSV-UHFFFAOYSA-N 447.538 4.447 5 20 IIBD COc1ccc(CC[C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1OC 523544817 XMPDYYDXLNRNKK-SFHVURJKSA-N 448.541 4.096 5 20 IIBD COc1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])cn2C)c2ccccc2)cc1Br 524257323 FGKXWIQULNIDNX-IBGZPJMESA-N 444.285 4.224 5 20 IIBD Cc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)c1S(=O)(=O)NC1CC1 525380323 JSTYLMGLASQRMF-UHFFFAOYSA-N 445.522 4.119 5 20 IIBD COC(=O)c1ccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(F)c1 525823059 BUPRSQXUAIBPFJ-UHFFFAOYSA-N 432.351 4.270 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)c([N+](=O)[O-])c1 530388606 CHMHZGUFOPRPMJ-GOSISDBHSA-N 444.488 4.348 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1nnn(-c2cccc(Br)c2)c1C 530783770 UBVFPAILZVVDMC-UHFFFAOYSA-N 430.262 4.116 5 20 IIBD Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N(C)c1cccc([N+](=O)[O-])c1 533147461 WUKZBSPOMJCCEY-UHFFFAOYSA-N 446.385 4.262 5 20 IIBD Cn1cc(-c2ccccc2CNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cn1 534010308 LSOKUDMVJABMFZ-UHFFFAOYSA-N 447.417 4.133 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCN(c2ncccc2F)CC1 534887681 YHCVFGDGPJYORY-UHFFFAOYSA-N 437.431 4.275 5 20 IIBD CCOc1cc(NC(=O)NCc2ccccc2-c2cnn(C)c2)c([N+](=O)[O-])cc1OCC 535488872 LLQXKKBLXBSQFR-UHFFFAOYSA-N 439.472 4.114 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1[N+](=O)[O-])c1ccccn1 535862926 VUJNUMOVBBWVCZ-NAYASGRBSA-N 436.512 4.240 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[C@H](Oc2cccc(Cl)c2)C1 536247549 FLCXGAFPDCTSDT-IBGZPJMESA-N 429.904 4.145 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c1 537318834 OXBIAYXGRAKUNI-MRXNPFEDSA-N 429.542 4.414 5 20 IIBD CC(C)(C)OC(=O)C1CCC(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 537703838 QIELMBXGYHOGTR-UHFFFAOYSA-N 431.514 4.349 5 20 IIBD CC(C)(C(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc12)c1cccc(C(F)(F)F)c1 537722006 XFZJJWOIPLFHLX-UHFFFAOYSA-N 447.417 4.063 5 20 IIBD CC1CCN(S(=O)(=O)Cc2ccccc2CN[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 540151149 MUEOLKISCNMTOO-GOSISDBHSA-N 431.558 4.007 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 540843425 URHRYAAVROUCJH-GOSISDBHSA-N 436.516 4.122 5 20 IIBD O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 541006737 VKUUSHPFVAMMKC-UHFFFAOYSA-N 426.788 4.042 5 20 IIBD O=C(CN[C@H](Cc1ccc(Cl)cc1)c1ccccn1)N1CCc2cc([N+](=O)[O-])ccc21 541195148 XUDDBFJOFFSJKT-OAQYLSRUSA-N 436.899 4.106 5 20 IIBD CCc1ccc([C@H](NC[C@]2(O)CCN(Cc3ccccc3)C2)c2ccc([N+](=O)[O-])cc2)o1 542470500 ISUMPXUHNKYQIF-JWQCQUIFSA-N 435.524 4.066 5 20 IIBD O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CCC(CCCO)CC1 543019346 AHOQZWNAXVACEK-UHFFFAOYSA-N 431.920 4.485 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N(C)C[C@@H](C)c2nccs2)c([N+](=O)[O-])c1 543186912 WBNBHEFAWTZWMP-CQSZACIVSA-N 439.493 4.309 5 20 IIBD Cc1nnc(NC(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)n1C 543372488 MSZVYLBAHHLGPA-RVDMUPIBSA-N 434.481 4.211 5 20 IIBD CCc1ccc([C@@H](NC[C@@H](c2ccc(C)o2)N2CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 543406591 JUJLBDBXYJDPSJ-URXFXBBRSA-N 439.512 4.404 5 20 IIBD COc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] 543855603 GLJVJNRZFDDAIH-OAHLLOKOSA-N 438.267 4.154 5 20 IIBD COC1CCN(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 544491470 JTUKXGVKVCPVGY-UHFFFAOYSA-N 449.617 4.496 5 20 IIBD Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F 544758284 HNYKSXICLDHFBS-UHFFFAOYSA-N 440.325 4.498 5 20 IIBD Cc1c(Cc2noc([C@H](C)SCC(=O)Nc3ccc(F)cc3)n2)cccc1[N+](=O)[O-] 545068577 HZQRFXCHUIORPW-ZDUSSCGKSA-N 430.461 4.449 5 20 IIBD Cc1cc(-c2noc([C@@H](C)NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)n2)ccc1F 546536109 LAKVDCPIXTZOJJ-GFCCVEGCSA-N 430.411 4.386 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 546779049 WDWDYABEQALYBM-AWEZNQCLSA-N 442.337 4.337 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 549750656 MJXXKTISZGINMA-UHFFFAOYSA-N 440.525 4.142 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@](C)(Cc1ccccc1)[C@@H](C)O 552175996 TUDOMZWEALIZBJ-VLIAUNLRSA-N 435.318 4.025 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 552662399 MSJFSTQURIRWGH-IVZQSRNASA-N 442.541 4.236 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc([C@H]3CCCCN3C(=O)c3cccs3)n2)c1 554825790 HXTRSRCOGLGNTG-MRXNPFEDSA-N 428.470 4.006 5 20 IIBD Cn1cc2c(n1)CCC[C@H]2NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 554839102 FFTDAZMOOFVJNW-HXUWFJFHSA-N 439.903 4.401 5 20 IIBD CCOC(=O)c1cc(COC)cc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c1 561497383 CPRLUHGCCSYNCQ-UHFFFAOYSA-N 426.347 4.189 5 20 IIBD O=C(c1ccc(Oc2ccccc2Cl)nc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 562346422 WGCSDMTYRYUQTR-UHFFFAOYSA-N 427.848 4.109 5 20 IIBD COc1ccc(-c2ccc(C)c(NC(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)c2)cn1 568808395 XQQURIXJVMWXNS-UHFFFAOYSA-N 434.452 4.400 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3ccccc3n2CCc2ccccn2)c1 570868310 VHNIVDQOKPPPDX-UHFFFAOYSA-N 431.452 4.233 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC(C)(C)[C@H]2c2cnn(C)c2)cc1 574240259 JJBCTUBGXPMWDJ-OAQYLSRUSA-N 436.468 4.353 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)c1 574654300 SWMGGLNLJWENBC-IBGZPJMESA-N 435.883 4.353 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F 582390610 QFRNZZNLCQNSED-OLZOCXBDSA-N 437.418 4.423 5 20 IIBD CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 603638861 ZBVKSCYRWWKWED-INIZCTEOSA-N 441.818 4.243 5 20 IIBD O=C(NCc1ccccc1Br)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 603737014 KDIBPGAWTUKUPI-UHFFFAOYSA-N 433.180 4.228 5 20 IIBD CCc1cccc2c(C3CCN(C(=O)c4cc(C(=O)OC)cc([N+](=O)[O-])c4)CC3)c[nH]c12 604193180 AIOKZOUGYXNUKI-UHFFFAOYSA-N 435.480 4.445 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2C(=O)N(C)CC(C)(C)C)c1 608881171 SBRODDCSRDFCCS-UHFFFAOYSA-N 433.530 4.131 5 20 IIBD CC[C@H](C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)C(=O)Nc1cccc(N2CCCC2)c1 609174695 UQWNLSCZHGJZOT-IFXJQAMLSA-N 430.530 4.040 5 20 IIBD C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cc1 609761885 GWXNQEMQGCTXLD-CQSZACIVSA-N 434.452 4.116 5 20 IIBD CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609762592 JGEONBGCJNQEPY-HSZRJFAPSA-N 431.448 4.299 5 20 IIBD COc1cc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2Br)ccc1OC(F)F 610036154 OOOOTFBIUYSZFI-UHFFFAOYSA-N 445.216 4.240 5 20 IIBD O=C(Nc1nc(CN2CCCCCC2)cs1)c1ccc([N+](=O)[O-])cc1Br 610061739 XOXZGXNVDQMTRX-UHFFFAOYSA-N 439.335 4.442 5 20 IIBD O=c1c(Cl)c(NCc2ccc(-c3ccncc3)cc2)cnn1-c1ccc([N+](=O)[O-])cc1 610077148 HAGGNXYIRPPHKG-UHFFFAOYSA-N 433.855 4.468 5 20 IIBD CCCC(=O)Nc1cccc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 610262225 RGGMCKNHLWMGBI-UHFFFAOYSA-N 446.312 4.119 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Br)c(F)cc2Cl)c(F)c1 610575535 TUIUBIQMRITTAQ-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)N1CCO[C@H]([C@H]2CCCO2)C1 610687619 POXAGZITNFNRLX-MOPGFXCFSA-N 448.928 4.419 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[C@]2(C1)C(=O)Nc1ccccc12 614546817 HSVYWQBSIBSRGZ-XMMPIXPASA-N 429.432 4.123 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1cnn(-c2ccc(Cl)nn2)c1C(F)(F)F 727710280 MUXGDBXANHVFBZ-UHFFFAOYSA-N 447.160 4.148 5 20 IIBD Cc1nc(-c2ccccc2)[nH]c1C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 728727039 GSZKKIHZGZNZNE-LBPRGKRZSA-N 428.832 4.131 5 20 IIBD COc1ccccc1C/C(C)=C/C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 730346463 UOZPAGWYSSIKMD-CMPYXILNSA-N 432.860 4.316 5 20 IIBD O=C(Nc1nc2ccc(SC(F)F)cc2s1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 731456630 PKTJYJXXKYIBJE-UHFFFAOYSA-N 448.436 4.352 5 20 IIBD C[C@H](OC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])c1cccc(NC(=O)c2ccccc2)c1 731735191 LQRXJRMHRUAASD-INIZCTEOSA-N 448.431 4.343 5 20 IIBD Cc1csc(-c2cccc(OC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)c2)n1 731986809 RLIIPGNVGCCALU-OAHLLOKOSA-N 443.506 4.298 5 20 IIBD COc1ccc(-c2noc(CCCC(=O)OCc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 734887376 AEOUIHRWILLJPA-UHFFFAOYSA-N 431.832 4.373 5 20 IIBD COc1ccnc(C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)c1 734911362 NNXCOTDSZGWLRI-IBGZPJMESA-N 441.827 4.189 5 20 IIBD CC[C@H](OC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)c1ccc(Cl)cc1 744509771 UIVGQOAAMWKANR-IBGZPJMESA-N 427.844 4.411 5 20 IIBD C[C@@H](OC(=O)c1c(F)cc(F)cc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 745150091 VKOITJDDOFBHLB-SSDOTTSWSA-N 436.264 4.215 5 20 IIBD CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(Cl)ccc1[N+](=O)[O-] 746066891 ZZRYJROSIHJRTM-LJQANCHMSA-N 443.887 4.156 5 20 IIBD Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C1/N=C(c2cccc([N+](=O)[O-])c2)OC1=O 746273161 MTPBORIFSUNNKB-VCHYOVAHSA-N 440.818 4.285 5 20 IIBD CCN(c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1)C(C)C 746619088 OUJDABOEJQNAMC-HNNXBMFYSA-N 429.473 4.022 5 20 IIBD CCOc1cc(C(=O)Nc2nc(COc3ccccc3)cs2)c([N+](=O)[O-])cc1OC 747574279 UWBKGNMSGUKMGI-UHFFFAOYSA-N 429.454 4.290 5 20 IIBD Cc1ccccc1[C@@H](OC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1cccs1 748504522 DGKGKPBQBSSFPC-LJQANCHMSA-N 431.491 4.315 5 20 IIBD COc1cc(-c2noc(COC(=O)c3ccc(Br)c([N+](=O)[O-])c3)n2)ccc1C 749974942 JIBMCPYFZRHTFU-UHFFFAOYSA-N 448.229 4.081 5 20 IIBD C[C@@H](OC(=O)c1csc([N+](=O)[O-])c1)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 750131859 MKFQICACHSRRQL-LLVKDONJSA-N 445.478 4.154 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cn1 750825578 JDNHOZKIOWTLLJ-UHFFFAOYSA-N 437.250 4.352 5 20 IIBD CC[C@@H](C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1cccc(C(F)(F)F)c1 752572239 BMPBVUYASBKHSX-CQSZACIVSA-N 428.338 4.428 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c(C)c1 753430067 DXTYHAUFLBOYNQ-CYBMUJFWSA-N 435.274 4.467 5 20 IIBD COC[C@@H](N[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1ccco1 754332913 JSSWJCXAPJDFFK-YLJYHZDGSA-N 429.860 4.498 5 20 IIBD CCN(C(=O)COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)[C@@H](C)c1ccc(F)cc1 754988300 MAMBEWCPMYRODR-NSHDSACASA-N 426.803 4.293 5 20 IIBD Cc1c(C(=O)OCc2c(F)cccc2[N+](=O)[O-])c(=O)oc2ccc(Br)cc12 756591873 MYKFXHBSVHCYAA-UHFFFAOYSA-N 436.189 4.268 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCN(c2nc3ccccc3o2)CC1 760469453 FVZHJRIMGJSHHV-UHFFFAOYSA-N 448.435 4.351 5 20 IIBD CC(C)(C)Oc1cccc(CCC(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)n1 760534690 RKFSLTABJMLMII-UHFFFAOYSA-N 425.441 4.498 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])n1C)C(=O)Nc1ccccc1Sc1ccccc1 761054629 PKAAQLPHNMOFLP-AWEZNQCLSA-N 425.466 4.269 5 20 IIBD O=C(NC[C@H](O)c1cc2ccccc2s1)c1cc(F)cc([N+](=O)[O-])c1Br 762257833 GNGSERFAZIRCNY-ZDUSSCGKSA-N 439.262 4.175 5 20 IIBD Cc1cc(CN(CC(C)C)C(=O)c2cc([N+](=O)[O-])ccc2F)nc(N2CCCCC2)n1 764559858 WATBEZLNAKYSEK-UHFFFAOYSA-N 429.496 4.121 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)Nc1ccc(OC(F)(F)F)cc1 766219040 GBGJFMOAIFTXTH-LLVKDONJSA-N 449.341 4.226 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)c1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 766802720 AOZOARWOLJJQAW-INIZCTEOSA-N 439.493 4.446 5 20 IIBD Cc1nnc([C@H]2Cc3ccccc3CN2Cc2c(Br)cccc2[N+](=O)[O-])o1 768982934 NOHQJXHJTUJOBU-GOSISDBHSA-N 429.274 4.348 5 20 IIBD Cc1cc2c(cc1C)[C@@H](C(=O)N(Cc1nnc(-c3cccc([N+](=O)[O-])c3)o1)C(C)C)CO2 769759842 HDSYFKBDURFGSO-IBGZPJMESA-N 436.468 4.175 5 20 IIBD CN(C)CCOc1ccc(NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1Cl 770541462 XRLPDDJUVLZBLK-UHFFFAOYSA-N 429.908 4.201 5 20 IIBD O=C(CCC(=O)N1CCN([C@@H]2CCOC2)CC1)c1ccc2ccc3cccc4ccc1c2c34 771559432 KIXXSFWJMAXMCI-JOCHJYFZSA-N 440.543 4.480 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)cc1[N+](=O)[O-] 772993189 RHOHKGLLBDKIBY-MRXNPFEDSA-N 449.287 4.111 5 20 IIBD CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 774666801 LBXNYUVTKDVMMN-JTQLQIEISA-N 440.369 4.090 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)Nc1cccc(C(F)(F)F)n1)c1ccccc1[N+](=O)[O-] 775733466 XFZAGPZRZKTLMG-ZDUSSCGKSA-N 440.378 4.213 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC(C(=O)C(F)(F)F)CC2)c([N+](=O)[O-])c1 775849477 PYJDIRDKKPCEJP-LJQANCHMSA-N 449.429 4.426 5 20 IIBD C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776135189 RJJLYWGAXQHMJL-HNAYVOBHSA-N 429.473 4.125 5 20 IIBD CCCCN([C@H](C)c1ccccc1)S(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 777915939 WYUWWKDUDYPTBU-MRXNPFEDSA-N 447.513 4.103 5 20 IIBD Cc1c(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 778103934 CMYVYFVSVOBBTB-NSHDSACASA-N 439.255 4.127 5 20 IIBD COc1ccc(NC(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])c4nsnc4c3)cc2)cc1 778220358 DVPXRIAKHGMZPN-UHFFFAOYSA-N 449.448 4.113 5 20 IIBD CC(C)(C)OC(=O)NC[C@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCCCC1 779197700 FTNJLPBRBFZSQL-SFHVURJKSA-N 445.520 4.208 5 20 IIBD CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=S)Nc1ccc([N+](=O)[O-])cc1 780233339 ACRAKGFUCTVAAK-UHFFFAOYSA-N 430.530 4.418 5 20 IIBD CN(C[C@@H]1CCCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)OC(C)(C)C 780824907 KHBVKFHADCYKQN-KRWDZBQOSA-N 435.524 4.153 5 20 IIBD O=C(Nc1ccc(OC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cc1)c1cccs1 781562107 PXTBINGVSFZFQQ-SFHVURJKSA-N 437.433 4.007 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 781646402 NXWSDEPMVRCKLY-UHFFFAOYSA-N 430.417 4.421 5 20 IIBD C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781718970 ZAZWOQCNPSROSX-LBPRGKRZSA-N 425.363 4.202 5 20 IIBD C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 782379017 GVKIXZZFJDYKPB-SNVBAGLBSA-N 446.765 4.216 5 20 IIBD Cc1csc(SCc2ccc(C(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)cc2)n1 785325530 AWUMOLNSLREKSC-UHFFFAOYSA-N 443.554 4.326 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1ccc(F)nc1 785634268 JRUWYHQRTPLXFP-GOSISDBHSA-N 429.791 4.319 5 20 IIBD O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCC(O)(c2ccccc2)CC1 787529465 IBDDLTKGNUHNDR-UHFFFAOYSA-N 432.476 4.298 5 20 IIBD CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 787592902 HIZQHFYITNUJMN-UHFFFAOYSA-N 435.484 4.016 5 20 IIBD CCn1c(/C(Cl)=C/c2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)nc2c(F)cccc21 788733170 NDXPEVFPKFRTCL-LCYFTJDESA-N 433.823 4.392 5 20 IIBD O=C(N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)c1cc(F)c(F)cc1[N+](=O)[O-] 789714268 LDGUGBKNEIWBLF-AWEZNQCLSA-N 444.221 4.105 5 20 IIBD CCOC(=O)/C(=C/c1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1ccc([N+](=O)[O-])cn1 794713322 MTVXMKNVYYJJMM-RQZCQDPDSA-N 432.358 4.298 5 20 IIBD CCc1[nH]nc(C(=O)O[C@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1[N+](=O)[O-] 795616435 SWROPYPOFNYGPK-ZCFIWIBFSA-N 435.651 4.025 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)OCc1nc(-c2cccc(Br)c2)no1 795711602 FFERXTYMJVZLDA-UHFFFAOYSA-N 448.229 4.163 5 20 IIBD C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1ncc(-c2ccccc2)o1 795850753 AWKJPIZYQRKJEP-SNVBAGLBSA-N 425.825 4.082 5 20 IIBD Cc1ccccc1-c1noc(C)c1C(=O)O[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 796211354 NTXHOKWWWXDJRK-CYBMUJFWSA-N 427.388 4.190 5 20 IIBD CCCc1[nH]nc(C(=O)O[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)c1[N+](=O)[O-] 796260924 PUGQWVKRNPQWKL-OAQYLSRUSA-N 436.468 4.424 5 20 IIBD O=C(OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)s1 796999723 JDIOXWKMZMQUHZ-LLVKDONJSA-N 428.388 4.137 5 20 IIBD CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 798276341 DSCKQUIKVVRHDD-UHFFFAOYSA-N 439.512 4.179 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2F)cc1[N+](=O)[O-] 799127583 VTOAGNNMLMPUKY-UHFFFAOYSA-N 438.220 4.020 5 20 IIBD Cc1cc(N2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 800878800 KMVKEMWWYUAMPW-JOCHJYFZSA-N 427.505 4.101 5 20 IIBD O=C(CCc1nc(O)c2c3c(sc2n1)CCCC3)OCc1c(F)cc([N+](=O)[O-])cc1F 803209902 HTJGTBLPBQAHEX-UHFFFAOYSA-N 449.435 4.138 5 20 IIBD O=C(Cc1csc(-c2ccc3c(c2)OCO3)n1)OCc1c(F)cc([N+](=O)[O-])cc1F 803332095 LQQWYUQLHCRCGW-UHFFFAOYSA-N 434.376 4.011 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H]2c2nc(C3CCCCCCC3)no2)c1 809440880 NQSDONRCBRPJBM-SFHVURJKSA-N 434.518 4.332 5 20 IIBD CS(=O)(=O)c1cc(C(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])ccc1Cl 811049061 MTGWGZVDRVPZCF-UHFFFAOYSA-N 438.672 4.316 5 20 IIBD Cc1ccc(CN(C(=O)COC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C2CC2)o1 811374125 BFUNMXRFWWMNHT-UHFFFAOYSA-N 427.240 4.151 5 20 IIBD C[C@@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C 813462184 RQDRAJXVQIAGJD-YGRLFVJLSA-N 432.304 4.277 5 20 IIBD COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 819898611 BVFRIUJMFYPXFQ-UHFFFAOYSA-N 429.436 4.291 5 20 IIBD Nn1c(COc2c(Cl)cccc2Cl)nnc1S/C=C/c1ccc([N+](=O)[O-])o1 825297166 MLVUEIUERVXTJW-VOTSOKGWSA-N 428.257 4.142 5 20 IIBD O=C(c1ccc(CNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1)N1CCCC1 914862857 UCKLGGPOKHOHSY-UHFFFAOYSA-N 438.362 4.370 5 20 IIBD C[C@H](OC(=O)COc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 914909104 BWFLNSRSNRRFME-RYUDHWBXSA-N 441.267 4.090 5 20 IIBD CCOc1ccc(-c2nc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3C)cs2)cc1 914991470 ICZWMKCSDBHVTP-UHFFFAOYSA-N 441.465 4.221 5 20 IIBD Cc1nc(COc2ccc(F)cc2)sc1C(=O)OCCOc1ccccc1[N+](=O)[O-] 918932016 FZNIWXDEMWQXBA-UHFFFAOYSA-N 432.429 4.314 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c([N+](=O)[O-])c1 919447681 VFHSGVTWFDXVIS-CVEARBPZSA-N 444.484 4.373 5 20 IIBD C[C@@H](OC(=O)CCOc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 919490449 JOGRKKCSMIWRIM-SNVBAGLBSA-N 445.230 4.380 5 20 IIBD O=C(CCc1ccc(Cl)cc1Cl)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 920148866 OVTZTEKOFVUUBB-UHFFFAOYSA-N 445.686 4.461 5 20 IIBD O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1ccc(Br)c([N+](=O)[O-])c1 920269043 QXVSSXYSNMDJNP-INIZCTEOSA-N 431.246 4.337 5 20 IIBD CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)OCc1cc(F)ccc1[N+](=O)[O-] 920650911 CHJKRTMRONNVBW-QHCPKHFHSA-N 438.455 4.314 5 20 IIBD CCOc1cc(NC(=O)N(C)[C@@H](C)Cc2ccc(OC)cc2)c([N+](=O)[O-])cc1OCC 1115923813 DCHCSMNOHQAUQJ-HNNXBMFYSA-N 431.489 4.496 5 20 IIBD CCCN(Cc1nc(O)c2sccc2n1)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 1116235329 RTYJNQMQGHVVQA-CYBMUJFWSA-N 429.502 4.296 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2c2nnc([C@H](C)CN3CCC(C)CC3)o2)ccc1[N+](=O)[O-] 1117250680 LYLYTMGGPVXSIC-YLJYHZDGSA-N 441.532 4.099 5 20 IIBD Cc1ccc2c(c1)S[C@H](C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-])C2 1317741667 HWKZSXGFEKEMOK-PXNSSMCTSA-N 428.510 4.119 5 20 IIBD CC[C@]1(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCN(C(=O)OC(C)(C)C)C1 1319454629 WUUCGVWZVQEGLS-QHCPKHFHSA-N 447.532 4.002 5 20 IIBD Cc1nc(CN2CCN(Cc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)CC2)oc1C 1324743912 PRCRBXXSYXMFRJ-UHFFFAOYSA-N 430.892 4.431 5 20 IIBD CCOc1ccccc1-n1nnnc1SCc1ccc([N+](=O)[O-])cc1Br 1325773732 OBARXROXGMFJMT-UHFFFAOYSA-N 436.291 4.024 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N[C@@H]1CN2CCC1CC2 1347227002 LYUGDPWZQNNXTK-USUABIMMSA-N 448.548 4.346 5 20 IIBD C[C@]1(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccc([N+](=O)[O-])o4)cc3)CCC2)CC1(F)F 1786208196 MIZUPLKNJCNDRY-FHVRUZERSA-N 445.422 4.380 5 20 IIBD Cc1[nH]ccc1C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)CCC1 1790622291 RKIONJZOGBMVMR-UHFFFAOYSA-N 436.443 4.432 5 20 IIBD CC[C@@H](C)[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C2)c1ccccc1 1795574985 SOTHFZIXPRBWAP-LNBCOLIQSA-N 438.528 4.005 5 20 IIBD Cc1ccccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)[nH]n1 1820470687 WHMLHIDZTBJCRQ-OAQYLSRUSA-N 447.495 4.175 5 20 IIBD CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3cc([N+](=O)[O-])ccc3F)CC2)CCC1 1823707608 MAOREAGWJLRDSA-NRFANRHFSA-N 445.535 4.086 5 20 IIBD CSCC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 1845738473 NMQROYLTTOXVRN-UHFFFAOYSA-N 447.582 4.016 5 20 IIBD COc1cc(CCNC(=O)c2sc(-c3ccccc3)nc2C)c([N+](=O)[O-])cc1OC 11081815 DDRQUAHXCRJSFH-UHFFFAOYSA-N 427.482 4.016 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2sc(-c3cccs3)nc2C)c([N+](=O)[O-])c1 18463263 YFFNCIXIKSCPOE-LLVKDONJSA-N 447.494 4.281 5 20 IIBD CN(C)c1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)c2c[nH]c3ccccc23)cc1 22144170 CBGIRIKAZMJGKB-FQEVSTJZSA-N 431.496 4.043 5 20 IIBD Cc1ccccc1NC(=O)[C@H](C)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 25389901 YGTWLOPEWGULPM-HNNXBMFYSA-N 436.434 4.071 5 20 IIBD O=C(NC1CC1)c1ccc(N[C@@H]2CCCc3c2cnn3Cc2ccccc2)c([N+](=O)[O-])c1 25578486 LSSLQUHTAAGZDO-HXUWFJFHSA-N 431.496 4.221 5 20 IIBD CCOc1cc(CN(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1OC(F)F 26454216 DXCUXEQOCTXUCS-UHFFFAOYSA-N 443.834 4.319 5 20 IIBD O=C(Nc1nnc(SCc2ccccc2)s1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 31273939 SGRAUIHOHQKMED-UHFFFAOYSA-N 438.494 4.177 5 20 IIBD C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(NC(=O)C2CC2)cc1 31400563 UPYNQEIGBMTXBG-KRWDZBQOSA-N 439.515 4.381 5 20 IIBD COc1ccccc1OCC(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 59424621 NGGJSASSKQMABW-UHFFFAOYSA-N 435.436 4.182 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 72026949 BCKDWEXMLQBBEK-IBGZPJMESA-N 443.868 4.123 5 20 IIBD Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 107889543 RNQHDOPPGSCGBZ-HNNXBMFYSA-N 441.513 4.219 5 20 IIBD C[C@H](C(=O)O)[C@@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 237536350 QEJWSMSWQVUAEL-KSFYIVLOSA-N 433.464 4.399 5 20 IIBD CN(CCc1ccccn1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 248126862 OZEDCGNEVONQSC-UHFFFAOYSA-N 441.491 4.086 5 20 IIBD CC(C)[C@@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)Nc1ccccc1 301978112 GEJZYNRODYDNGU-GOSISDBHSA-N 427.892 4.343 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CC1(c2ccc(Br)cc2)CC1 303882184 ONSDQCXXNQAJRM-UHFFFAOYSA-N 439.331 4.018 5 20 IIBD O=C(O)[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@H]1c1ccc(Cl)cc1 427778864 KCZWIBLFNCHZHX-JKSUJKDBSA-N 430.869 4.403 5 20 IIBD C[C@H]1C[C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCN1Cc1ccccc1 430656313 FFWMNICTWKDIMV-UNMCSNQZSA-N 439.559 4.324 5 20 IIBD C[C@H](NS(=O)(=O)c1cc(Br)sc1Cl)c1cccc([N+](=O)[O-])c1 433635121 JQUPVKZYRPYALR-ZETCQYMHSA-N 425.713 4.112 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1C(=O)N(C)C 434171373 YKANQEZHQOEXEN-INIZCTEOSA-N 447.495 4.425 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1nc(COc2ccccc2F)no1 436009876 FLOHYWUEEOXIHN-UHFFFAOYSA-N 426.326 4.369 5 20 IIBD O=C(Nc1cccc(CN2CCCCC2=O)c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 436234495 YMHRQNNDMBNNFA-UHFFFAOYSA-N 425.488 4.446 5 20 IIBD O=C(c1ccccc1)c1ccc(NC2CCN(C(=O)c3ccccc3O)CC2)c([N+](=O)[O-])c1 436935145 JCJALAQMTKZIPR-UHFFFAOYSA-N 445.475 4.248 5 20 IIBD O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 437038217 NWCXXWUPJTWUNC-UHFFFAOYSA-N 441.793 4.397 5 20 IIBD COc1cccc(-c2noc([C@@H](C)NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)c1 437147731 OGLCXUDYNPGCRL-OLZOCXBDSA-N 428.470 4.011 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H](c1cccc(F)c1)c1cnn(C)c1 437252374 FMGXHOVVANHAID-GOSISDBHSA-N 436.365 4.348 5 20 IIBD COc1ccc(N(C(C)C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)cc1F 439144054 FHXVHHUNEMLXLS-UHFFFAOYSA-N 447.282 4.109 5 20 IIBD CCNC(=O)c1ccc(CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])cc1 440760539 MKTGQQTVXARQRM-UHFFFAOYSA-N 435.505 4.426 5 20 IIBD CCc1ccc2c(c1)[C@H](CCNC(=O)c1cccc3c(=O)c4cccc(F)c4[nH]c13)C(=O)N2 444013454 VBSWFJOWKOGHGZ-HNNXBMFYSA-N 443.478 4.239 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCCN2CCCC(C)(C)C2)cc1[N+](=O)[O-])c1ccccn1 444613499 KNDDVIIIWUKLCP-KRWDZBQOSA-N 425.533 4.015 5 20 IIBD Cc1ccc(NC(=O)Cc2noc(CCOc3ccc(Cl)cc3[N+](=O)[O-])n2)c(C)c1 445366200 PKKCENVAVJCMCZ-UHFFFAOYSA-N 430.848 4.051 5 20 IIBD Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 445748495 DZZDPQDGHOKIJL-INIZCTEOSA-N 428.920 4.151 5 20 IIBD COc1cc(S(=O)(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] 448168797 PDSXEGDJMUBIFX-UHFFFAOYSA-N 442.946 4.202 5 20 IIBD CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC=C(c2ccc(O)cc2)CC1 460767627 GFNINLDRWSHBSB-UHFFFAOYSA-N 449.511 4.279 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1CN1C[C@H](C)O[C@H](C)C1 462427445 LOWDTZVMZABTBW-ZVDOUQERSA-N 439.556 4.089 5 20 IIBD CO[C@@]1(C)C[C@@H](NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1(C)C 465270421 PUTWDOQIBWAORM-XLIONFOSSA-N 443.466 4.150 5 20 IIBD COC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CC1 466764964 ISQGBTLPMNSOHG-UHFFFAOYSA-N 434.901 4.425 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)NC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)n2)cc1F 467214439 FHOJKRBCKXQIMX-LLVKDONJSA-N 433.827 4.306 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1cccc(OCc2ccccc2)c1 472697919 IUSJAIAJPJFWCG-OAHLLOKOSA-N 437.427 4.129 5 20 IIBD Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 474500394 YHXFSDYANBTWBE-INIZCTEOSA-N 444.557 4.019 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@H](C)C2CCOCC2)c([N+](=O)[O-])c1 474780122 MKPBVUMJRRRQCO-MRXNPFEDSA-N 433.530 4.037 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)c(Cl)c1 476892497 AVUYMQBOCTWURV-INIZCTEOSA-N 448.888 4.214 5 20 IIBD CC(=O)N(c1ccc(Cl)cc1)c1nc(Cn2cc([N+](=O)[O-])cc(Cl)c2=O)cs1 477536513 JMWURTCDZIELTK-UHFFFAOYSA-N 439.280 4.253 5 20 IIBD COc1ccc(C(=O)Nc2cccc(OCCNCc3ccc([N+](=O)[O-])cc3F)c2)cc1 478355401 JRUMZUPXUWAUGG-UHFFFAOYSA-N 439.443 4.163 5 20 IIBD C[C@@H]1CN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C[C@]2(CCOC2)O1 478414108 UAKCWBOKYUAARG-SZNDQCEHSA-N 448.928 4.419 5 20 IIBD CCN(Cc1cccs1)C(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] 479482776 CKHJQOCVEKXTNW-UHFFFAOYSA-N 433.511 4.363 5 20 IIBD CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 479623500 POBAZYBXIWHADG-ZMZPIMSZSA-N 441.709 4.446 5 20 IIBD CCn1c(S[C@H](C)C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)nnc1-c1ccc([N+](=O)[O-])cc1 481348411 PWSRTPMMMSNEBP-JBFGMIDGSA-N 443.573 4.295 5 20 IIBD C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 483279775 SKZUFWDJCDQEPG-JTQLQIEISA-N 448.248 4.111 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(CN3CCSCC3)c2)cc1SC 483496093 DDRPQSOCCMUHFE-UHFFFAOYSA-N 433.555 4.126 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)c1cc(Cn2cccn2)on1 483950440 BLGJIUAPQNOYBS-UHFFFAOYSA-N 427.467 4.293 5 20 IIBD CC(C)(C)Oc1cc(N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)ccc1[N+](=O)[O-] 484868538 YMWHKCFVGJTDND-UHFFFAOYSA-N 441.484 4.356 5 20 IIBD CCN1C(=O)c2cc(Cl)ccc2N[C@H]1c1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] 484911282 CSAPFGMURDAAEA-GOSISDBHSA-N 441.818 4.487 5 20 IIBD CCCN(Cc1c(F)cccc1Cl)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 485603475 WFWJHPYUAHCODO-UHFFFAOYSA-N 428.247 4.418 5 20 IIBD CCc1ccccc1-n1cnnc1SCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 486146044 DBUHVFCVAHUXST-UHFFFAOYSA-N 437.525 4.021 5 20 IIBD CSc1cccc(C(=O)N2CCCN(C(=O)Nc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] 487048338 PWTCPJABQMQPEC-UHFFFAOYSA-N 448.932 4.350 5 20 IIBD Cc1nc(-c2ccc(S(=O)(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)cc2)co1 487332026 JJQZSEZJMZXGAM-UHFFFAOYSA-N 441.387 4.056 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 487416056 SOFIYPNKXZARJD-QGZVFWFLSA-N 442.541 4.402 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 488376016 MIQSJGBASXVSJM-HNNXBMFYSA-N 442.859 4.244 5 20 IIBD CN1CCC(N(Cc2ccccc2)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 489008009 IPBYSMPEYKDOOA-UHFFFAOYSA-N 434.443 4.325 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N[C@H](COc2ccccc2F)C(C)(C)C)c([N+](=O)[O-])c1 489143261 XZFBCEZXMWGENR-JLTOFOAXSA-N 433.480 4.153 5 20 IIBD C[C@@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1noc(-c2ccccc2)n1 490581002 BSFAYNVQBIWETD-LLVKDONJSA-N 436.346 4.077 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 490797023 UOTIUERBCQWQOZ-UHFFFAOYSA-N 433.512 4.391 5 20 IIBD COc1cc(C(=O)N(C)Cc2cccc(Br)c2)c([N+](=O)[O-])cc1OC(F)F 497394035 WMSOVZFSXIHQBO-UHFFFAOYSA-N 445.216 4.240 5 20 IIBD COc1cc(OCC(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)ccc1[N+](=O)[O-] 498464362 IMSVTPAEUJYFEH-UHFFFAOYSA-N 435.436 4.182 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](NCC1CCOCC1)c1ccccc1 501974180 WWOVNQULAHFCLB-IBGZPJMESA-N 448.317 4.053 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2/C=C\c2ccccc2)c(Br)c1 503845008 JTCYCZZEYPJPDN-CDNLZTBQSA-N 437.315 4.224 5 20 IIBD Cc1cc(=O)c(C(=O)N(Cc2ccccc2)CC(C)(C)C)nn1-c1ccccc1[N+](=O)[O-] 504865999 STYIQVWJXYIOKW-UHFFFAOYSA-N 434.496 4.138 5 20 IIBD COc1ccc(C(=O)Nc2c(-c3ccc(Br)cc3)ncn2C)cc1[N+](=O)[O-] 508395246 BBRRPVMRBQLLOK-UHFFFAOYSA-N 431.246 4.019 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)c1ccc2c(c1)OCCO2 509481635 UWEBKJAKEBJXEH-UHFFFAOYSA-N 427.501 4.264 5 20 IIBD COc1cc(F)c([C@H](C)NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1OC 510741946 SVRCPXSBMBFPAM-JTQLQIEISA-N 446.353 4.183 5 20 IIBD COC(=O)c1cccc([C@H](Sc2ccc(Br)cc2[N+](=O)[O-])C(=O)OC)c1 513820029 ILPYPPJTNUGFKD-HNNXBMFYSA-N 440.271 4.150 5 20 IIBD CCc1ccc(CN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C2CC2)cc1 514744471 YCKDPMORGMOFSJ-UHFFFAOYSA-N 446.301 4.049 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3nc(Cc4cccs4)no3)cc2)c1 520285524 LGPIEBVTVOHGDU-UHFFFAOYSA-N 442.478 4.098 5 20 IIBD O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 521018210 TZQXAVSVPXXFTR-QFIPXVFZSA-N 428.448 4.056 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc2c(cc1Cl)OCCCO2 521275427 FMAPQGIGNVMNCL-SNVBAGLBSA-N 427.240 4.469 5 20 IIBD CSc1cc(C(=O)COc2ccc([N+](=O)[O-])cc2Br)ccc1NC(C)=O 523110131 RQKUEPLTSUMSCC-UHFFFAOYSA-N 439.287 4.299 5 20 IIBD COc1ccc(CC(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)cc1[N+](=O)[O-] 524244369 XDBPUDGMDMNYHJ-UHFFFAOYSA-N 437.427 4.105 5 20 IIBD C[C@@H](NC(=O)c1cc2ccccc2c2cccnc12)[C@@H]1CN(Cc2ccccc2)CCO1 525464549 FTZRNCURKDXEDP-CLOONOSVSA-N 425.532 4.407 5 20 IIBD CCN(CC(=O)Nc1c(C)cccc1C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] 533388725 PRBUPANAEIKQOP-UHFFFAOYSA-N 437.443 4.282 5 20 IIBD O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NCCc1cccc([N+](=O)[O-])c1 534735473 NHSZWDOKBOHQPF-UHFFFAOYSA-N 431.901 4.185 5 20 IIBD O=C(Nc1cccc(O)c1F)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 535658848 UCWXPGLKTTZKOA-UHFFFAOYSA-N 427.354 4.313 5 20 IIBD CC[C@@H](c1ccccc1)N(CC(=O)OC)C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] 536400643 JZVIYQYJDRODNO-INIZCTEOSA-N 432.498 4.092 5 20 IIBD NS(=O)(=O)c1c(N[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] 538510210 SSSULUCPEOZQLK-UONOGXRCSA-N 429.420 4.009 5 20 IIBD COc1ccc(CNc2nnc([C@H]3CCCO3)o2)cc1OCc1ccc([N+](=O)[O-])cc1 538594171 ZDSXWZLCLXEQDU-GOSISDBHSA-N 426.429 4.029 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 538796043 KTGIEXAITNOBHN-UHFFFAOYSA-N 447.557 4.190 5 20 IIBD O=C(Nc1cccc(Oc2ccncc2)c1)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 539425936 XSPSVQJQFLAAIJ-UHFFFAOYSA-N 434.437 4.304 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 539845398 JJIAHHSMJKWEKA-UHFFFAOYSA-N 430.464 4.370 5 20 IIBD CN(c1ccccc1)c1ccc(CNc2ccc(C[C@H]3CC(=O)NC3=O)cc2)cc1[N+](=O)[O-] 539931508 OGWGNHRLTHIPLK-IBGZPJMESA-N 444.491 4.180 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1N1CCOCC1 540782934 XDAWMVWAHNYVEF-UHFFFAOYSA-N 429.542 4.254 5 20 IIBD COc1cc(Br)ccc1CCCn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O 541289792 CYSZESCWYOOCED-UHFFFAOYSA-N 444.285 4.222 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCc1ccc(-c2csc(C)n2)s1 541319956 RKRPHDMPHLNJDU-UHFFFAOYSA-N 432.527 4.139 5 20 IIBD O=C(NC[C@@H]1CCCCS1)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 543212461 LYIHDJQWCLFAMA-ZDUSSCGKSA-N 437.568 4.148 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3ccnc(OCC(F)F)c3)n2)c(Br)c1 545002893 DAYGBLKUDNYMTC-UHFFFAOYSA-N 441.188 4.037 5 20 IIBD CS[C@@H]1C(=O)Nc2ccc(-c3noc(CCOc4ccc(Cl)cc4[N+](=O)[O-])n3)cc21 546505017 KUYOMNZDPAFSSA-KRWDZBQOSA-N 446.872 4.276 5 20 IIBD O=C1CCc2cc(-c3csc(NC(=O)c4c[nH]c5cc([N+](=O)[O-])ccc45)n3)ccc2N1 546906380 SVPPNHGCIZYNOS-UHFFFAOYSA-N 433.449 4.337 5 20 IIBD Cn1ccnc1[C@@H](NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccc([N+](=O)[O-])cc1 552040714 QYKGJKNIOLJEGK-YADHBBJMSA-N 439.947 4.498 5 20 IIBD O=C(Nc1cccc(-c2nc(O)n[nH]2)c1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 552601154 GSSVXJJHRRVHAX-UHFFFAOYSA-N 433.449 4.489 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 559061721 SOSHAYCIWMGFPH-MRXNPFEDSA-N 441.793 4.473 5 20 IIBD COc1ccc(CC(=O)N2C[C@@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)cc1[N+](=O)[O-] 561446402 VBOPDCYDEAJWAY-YJYMSZOUSA-N 438.402 4.153 5 20 IIBD Cc1ccc(C2(c3noc(-c4ccn(-c5ccc([N+](=O)[O-])cc5)n4)n3)CCOCC2)cc1 564498827 RYUHEKUUDPTNCD-UHFFFAOYSA-N 431.452 4.235 5 20 IIBD CCC(CC)(OC)c1noc(-c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)n1 573411008 RAPZAHNTAZQSOX-UHFFFAOYSA-N 446.485 4.107 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCCc2ccccc21 573411556 VCNINMFZOQKORH-IBGZPJMESA-N 428.510 4.400 5 20 IIBD CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 575081473 WPAOLLHBWOYRPX-FQEVSTJZSA-N 430.508 4.251 5 20 IIBD CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c1 576317202 VJYBRDCIGYSUNZ-PMERELPUSA-N 431.514 4.069 5 20 IIBD O=[N+]([O-])c1cccc(Br)c1OC[C@H](O)COc1ccccc1C(F)(F)F 577894369 FMGHCVVRMCBFCQ-SNVBAGLBSA-N 436.180 4.195 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 578702356 XAAXXWOJLUSIRX-MRXNPFEDSA-N 428.489 4.283 5 20 IIBD COc1cc(Br)cc(C)c1NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 582247719 IFKVTFHATWNXNB-UHFFFAOYSA-N 436.262 4.101 5 20 IIBD Cc1cccn2cc(COc3ccc(C(=O)N4CCc5ccc([N+](=O)[O-])cc54)cc3)nc12 593178057 NFDMVZAAAQACMU-UHFFFAOYSA-N 428.448 4.333 5 20 IIBD CC1CCN(c2ccc(C(=O)N(C)CC(=O)Nc3cccc(Cl)c3)cc2[N+](=O)[O-])CC1 603620225 IRWGWVBPVVQAFO-UHFFFAOYSA-N 444.919 4.195 5 20 IIBD Cc1nc(-c2cccc(NC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)c2)oc1C 603934700 CQSUNTAYRBHNDU-UHFFFAOYSA-N 436.424 4.193 5 20 IIBD CCC(C)(C)NC(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1Cl 604457171 KIVRRZSBJDDPRY-UHFFFAOYSA-N 449.891 4.193 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 608810528 MYIMFQIEMNTSJK-GOSISDBHSA-N 433.390 4.321 5 20 IIBD Cc1cccc(Cc2sc(NC(=O)[C@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)nc2C)c1 608877639 OHERXMUNPSUYFW-HNNXBMFYSA-N 438.509 4.016 5 20 IIBD CC(C)(C)OC(=O)C1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 608989134 GADGQKDGIIENTJ-UHFFFAOYSA-N 439.512 4.401 5 20 IIBD COCCN(Cc1cccnc1)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1 609025893 SOIRSKTYIMJFME-UHFFFAOYSA-N 437.452 4.080 5 20 IIBD Cc1noc(C)c1CCN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 609323408 LBKIQJKORKBVAJ-HXUWFJFHSA-N 428.876 4.365 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccnn1Cc1cccc(Br)c1 609783710 FEYWLOZAAOAMJU-UHFFFAOYSA-N 449.692 4.437 5 20 IIBD COCc1cccc(CNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c1 609856704 CEGLOOWZQVMHBZ-UHFFFAOYSA-N 435.267 4.164 5 20 IIBD O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 609997146 GCHRZJPWHBLPSB-HNNXBMFYSA-N 434.851 4.278 5 20 IIBD COc1cc(C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)cc([N+](=O)[O-])c1OC 610169509 GZUSQEAXOABWLH-UHFFFAOYSA-N 443.359 4.373 5 20 IIBD CSc1cc(C(=O)COc2ccc(Br)cc2[N+](=O)[O-])ccc1NC(C)=O 610219169 GIMZRFGKYFNHBO-UHFFFAOYSA-N 439.287 4.299 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H](C)C[C@H]2CCOC2)cc1[N+](=O)[O-] 610742748 SKTCYRLOQVWVIH-LSDHHAIUSA-N 428.510 4.093 5 20 IIBD O=C(NCCO)c1cccc(NCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c1 610910686 DFSSMOCNRKJHFA-UHFFFAOYSA-N 441.871 4.375 5 20 IIBD COC(=O)c1ccc(OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1[N+](=O)[O-] 613110499 PLFVJVUJQNUWSP-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD CC[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc2c(c1)OCCO2 615142884 FQFYZMSINWEIFC-HXUWFJFHSA-N 428.488 4.193 5 20 IIBD O=C(CNc1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1C(=O)NCc1ccccc1 727101437 OQPQEDZKNBDUCZ-UHFFFAOYSA-N 438.871 4.229 5 20 IIBD C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 727220386 PTNGGTXZQRPPBB-SNVBAGLBSA-N 428.224 4.279 5 20 IIBD O=C(Cc1cccc2cccnc12)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727399478 UBSJTPCUTHSHFY-UHFFFAOYSA-N 444.413 4.053 5 20 IIBD Cc1cn(CN2CCC[C@@H]2c2nc3ccccc3s2)c(=O)n1-c1ccccc1[N+](=O)[O-] 728706811 QULNYCQZCVYQNV-LJQANCHMSA-N 435.509 4.260 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)C[C@H](c1ccccc1)N1CCOC1=O 729118705 CNQDWEPSQLZVAJ-LJQANCHMSA-N 428.441 4.009 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)O[C@@H](C)c1ccc(Cl)cc1Cl 730627567 FNARSIFOQDIWLK-JTQLQIEISA-N 428.224 4.406 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CCCc2c(Cl)ccc(F)c21 731466382 CJEUJGUNZOQVRJ-UHFFFAOYSA-N 449.685 4.291 5 20 IIBD COc1ccc(CCNC(=O)c2ccccc2N(C)C(=O)c2cccc([N+](=O)[O-])c2C)cc1 731880516 OLJTUYALPOKJRC-UHFFFAOYSA-N 447.491 4.161 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1nc(-c2ccc(F)cc2)ns1 732942340 FXZBJNQQPFASSN-UHFFFAOYSA-N 430.464 4.451 5 20 IIBD CCOc1cn(-c2ccccc2)nc1C(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 735442300 HWTJPEOWQJZQIU-UHFFFAOYSA-N 434.408 4.191 5 20 IIBD C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC[C@H]1c1ccccc1 742315187 CTXTWLBHHVWPTO-CZUORRHYSA-N 439.331 4.172 5 20 IIBD C[C@H]1CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)CC[C@@H]1c1ccccc1 742416935 JDHBGBXRLQKTRY-PXNSSMCTSA-N 429.542 4.009 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 743342304 HZXAXBKNHKSOQZ-UHFFFAOYSA-N 427.438 4.207 5 20 IIBD Cn1c(-c2ccccc2)nn(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1=S 743391769 YNAZEVGMJFABDX-UHFFFAOYSA-N 425.514 4.027 5 20 IIBD C[C@H](OC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 744740913 MXONMUXMYKNZAA-WDEREUQCSA-N 427.240 4.239 5 20 IIBD C[C@@H](OC(=O)c1cccc2cc[nH]c12)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 745541535 JIFDMRMCDCPFAH-GFCCVEGCSA-N 436.449 4.384 5 20 IIBD Cc1ccc(-c2nn(-c3ccccc3)cc2COC(=O)CCn2cc([N+](=O)[O-])cn2)cc1C 746596414 OUZXFTVJOIBDJE-UHFFFAOYSA-N 445.479 4.394 5 20 IIBD CCOc1cccc2cc([C@H](C)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)oc12 747698197 NOGVUNHMGNJAPV-HNNXBMFYSA-N 439.468 4.067 5 20 IIBD CC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 747962273 PHBSVUVGOSGBEJ-LBPRGKRZSA-N 439.449 4.105 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(Oc3ccccc3)o2)c([N+](=O)[O-])c1 748910264 OFSRWTULAQEUES-CYBMUJFWSA-N 426.381 4.173 5 20 IIBD COc1cc(-c2noc(COC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)ccc1C 749986875 MRFMBEKXKHIOCN-CYBMUJFWSA-N 429.454 4.186 5 20 IIBD CC[C@@H](C)c1ccccc1OCC(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 750427506 MQDGSWIHPZHIAP-QGZVFWFLSA-N 427.501 4.342 5 20 IIBD O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)C1(c2cccc(F)c2)CCCC1 750428596 SXNWVLKZMHHXJA-UHFFFAOYSA-N 427.476 4.401 5 20 IIBD CC(C)CN1CCC[C@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 750921267 GJFZDBWYEPPYKO-GFCCVEGCSA-N 432.746 4.109 5 20 IIBD C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H](O)c1c(F)cccc1Cl 751069122 ARTYYCSWOGVQEY-VXJOIVPMSA-N 431.645 4.002 5 20 IIBD C[C@H]1CN(Cc2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2Br)C[C@@H](C)O1 753800279 VRIQSLVEJRKWDW-OKILXGFUSA-N 448.317 4.219 5 20 IIBD C[C@@H](SCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 753943492 IOEZXDOALHTKCM-OAHLLOKOSA-N 439.493 4.378 5 20 IIBD Cc1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])c(Br)c1 754971767 MMFDPRICFZHSBJ-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD CCCCc1nc(-c2cccc(OS(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])c2)no1 755274862 MHPLYSIDLDXYHC-UHFFFAOYSA-N 437.861 4.409 5 20 IIBD COc1cc(C(=O)N(OC)[C@@H]2CCCOc3ccccc32)c([N+](=O)[O-])cc1OC(F)F 755367537 LLRJCRJKNSQJSQ-CQSZACIVSA-N 438.383 4.122 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1 755558718 KLNJSRMTTQVYKI-UHFFFAOYSA-N 438.484 4.255 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)OCCC[C@H]2CCCO2)cc1[N+](=O)[O-] 756063568 BHUNOCAFZUDBIQ-QGZVFWFLSA-N 426.469 4.008 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 756652593 OMFSKNILXCJUEQ-CHWSQXEVSA-N 433.427 4.035 5 20 IIBD C[C@H]1CN(Cc2ccccc2NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C[C@@H](C)O1 757199669 JIQHNNBWQHNOBJ-GASCZTMLSA-N 432.908 4.179 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@@H]2CC3(CCC3)Oc3ccccc32)ccc1[N+](=O)[O-] 757811412 AKROGVHRFNYBHG-CTNGQTDRSA-N 449.507 4.071 5 20 IIBD O=C(NCc1ccc(F)cc1Br)c1cccc([N+](=O)[O-])c1Br 758124112 CAINYQHAQNXTIX-UHFFFAOYSA-N 432.043 4.189 5 20 IIBD Cn1ccnc1Sc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1Br 758172172 KTAMPULZNJHFKB-UHFFFAOYSA-N 433.287 4.494 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCCCN1C(=O)c1cccs1 760483932 UOJYQTVARUUWSM-KRWDZBQOSA-N 441.465 4.049 5 20 IIBD O=[N+]([O-])c1ccc(-n2cc(-c3nc(-c4ccnc(OCc5ccccc5)c4)no3)cn2)cc1 761694213 WSWMZDRXZOXRBO-UHFFFAOYSA-N 440.419 4.472 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)C[C@@H]21 762474390 KBDKKHDSELALRE-SIXWZSSISA-N 449.523 4.163 5 20 IIBD COC(=O)c1ccc([C@H](OC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C(F)(F)F)cc1 764323998 QLJUIRQRMGDUMV-KRWDZBQOSA-N 449.341 4.028 5 20 IIBD C[C@@H](OC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 769610417 WEFQTKKULKXNHH-IUODEOHRSA-N 448.476 4.188 5 20 IIBD COc1cc(OC)cc(N2CCCN(C(=O)Nc3ccc([N+](=O)[O-])c(Cl)c3)CC2)c1 770012530 AMAMZXPHPWZKRD-UHFFFAOYSA-N 434.880 4.010 5 20 IIBD CCO[C@H]1C[C@H](OC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C12CCOCC2 770995628 OMRIKEFWTHJJHL-VXKWHMMOSA-N 440.496 4.338 5 20 IIBD Cc1cc(COC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)ns1 774768703 CLPIDPNNCGNCQV-UHFFFAOYSA-N 425.466 4.014 5 20 IIBD COC(=O)c1cc2ccc(OC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cc2o1 774888651 ZQQHBYCYZWTRPJ-UHFFFAOYSA-N 427.412 4.293 5 20 IIBD O=C(O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1cccn(Cc2ccccc2)c1=O 776133985 JGMWUFOMCMKJCS-HSZRJFAPSA-N 441.443 4.146 5 20 IIBD O=C(O[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccc([N+](=O)[O-])s1 776357599 UVBYPUPGQURUBY-CYBMUJFWSA-N 428.388 4.023 5 20 IIBD CN(C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(Br)n1 776377221 IYHHIYJVMFPPNW-UHFFFAOYSA-N 447.211 4.236 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O 777083572 MRZNPLWDZIBWHS-FQEVSTJZSA-N 441.553 4.408 5 20 IIBD CCN(Cc1cccc(-c2ccncc2)c1)S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C 778006566 FRUSXTZWLVTQBQ-UHFFFAOYSA-N 429.473 4.315 5 20 IIBD CN(CCC1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1)C(=O)OC(C)(C)C 778423148 RMIATGVKGGIIPT-UHFFFAOYSA-N 441.475 4.182 5 20 IIBD C[C@@H](OC(=O)[C@H](c1c(F)cccc1Cl)N(C)C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 780111331 YUKPDPONRRNBIT-DIFFPNOSSA-N 448.838 4.344 5 20 IIBD O=Cc1ccc(OCC(=O)N[C@H](c2cccc3ccccc23)C(F)(F)F)c([N+](=O)[O-])c1 781390184 VCGORFBVNBMYFR-HXUWFJFHSA-N 432.354 4.359 5 20 IIBD CC1(NC(=O)OC(C)(C)C)CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 781764411 HFFBPIKAHLWNBN-UHFFFAOYSA-N 431.411 4.133 5 20 IIBD COCCN(C(=O)c1c(C)noc1C1CC1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 783720732 JFLNPAKCEBDSHJ-UHFFFAOYSA-N 428.470 4.185 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCc3ccc(OC)cc3CC2)c1=S 783981087 RZTOZNIBHSEUBE-UHFFFAOYSA-N 439.541 4.076 5 20 IIBD Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1c1cccs1 784729567 FVYWJDSTQDIEBW-LBPRGKRZSA-N 431.333 4.253 5 20 IIBD CC1(C)C[C@H](OC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 785905865 MCGYHMOCTIBFDY-OAQYLSRUSA-N 435.480 4.491 5 20 IIBD O=[N+]([O-])c1ccc(Br)c(OCc2nnc(-c3ccc(Br)o3)o2)c1 786756489 BVCZESRTSUMEKO-UHFFFAOYSA-N 445.023 4.342 5 20 IIBD O=[N+]([O-])c1cccc(-c2nccc(/C=C\c3cnn(Cc4ccccc4)c3Cl)[n+]2[O-])c1 789126179 CNDQSGMAMNMZBF-KTKRTIGZSA-N 433.855 4.359 5 20 IIBD O=[N+]([O-])c1ccc(CSc2n[nH]c(-c3ccccc3Br)n2)c([N+](=O)[O-])c1 789753265 LKLSBBWBCSKZJJ-UHFFFAOYSA-N 436.247 4.343 5 20 IIBD Cc1ccc(-n2ncc(NS(=O)(=O)c3cc(C)c(F)c([N+](=O)[O-])c3)c2C(C)C)cc1 790418566 VZSLGCWTRURHHD-UHFFFAOYSA-N 432.477 4.461 5 20 IIBD O=C(O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1nc(Br)ccc1F 791692326 XVDHJASEEIMPOK-KRWDZBQOSA-N 432.205 4.233 5 20 IIBD COc1cc(C)c([C@@H](C)NC(=O)COc2cc(Cl)c(Cl)cc2[N+](=O)[O-])cc1OC 794497793 WDXMHGAKIKWXEI-LLVKDONJSA-N 443.283 4.483 5 20 IIBD O=[N+]([O-])c1cccc([C@@H](O)CN(Cc2ccncc2)[C@H]2CCCN(Cc3ccccc3)C2)c1 794801413 AKECRVGBLLDSBQ-UIOOFZCWSA-N 446.551 4.190 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 799235078 SQQZCSRZDVBQJU-LSDHHAIUSA-N 436.509 4.151 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O 800149137 JHSUYUXOOMHMRG-UHFFFAOYSA-N 444.469 4.181 5 20 IIBD CCN(C)C(=O)CSc1ccc([C@H](C)OC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 809074494 BWIIPGNYVZVLQM-AWEZNQCLSA-N 432.498 4.092 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCC(n2cc(Br)cn2)CC1 809912976 QWZUCCOWXNMJSJ-UHFFFAOYSA-N 428.674 4.076 5 20 IIBD Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)nc1 812919754 OQWYQNCCOKFISX-GFCCVEGCSA-N 437.283 4.096 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)N[C@H](C)c2ccc(C(F)(F)F)nc2Cl)c1[N+](=O)[O-] 815050393 YPAKLQWFNINBDA-SNVBAGLBSA-N 437.827 4.318 5 20 IIBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1csc(COc2ccc(F)cc2)n1 888654415 NWUAZPQOALPZEM-UHFFFAOYSA-N 445.428 4.183 5 20 IIBD O=C(CSC(F)F)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 899259150 FPLFAOZHBSSCBR-HNNXBMFYSA-N 430.816 4.427 5 20 IIBD CCn1c(SCC(=O)Oc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 899506935 GPAOFZCZBIIGEV-UHFFFAOYSA-N 448.888 4.233 5 20 IIBD CC1=C(C(=O)N(C)C)[C@@H](c2ccc(C)c([N+](=O)[O-])c2)NC(=S)N1c1ccc(C)c(C)c1 916171565 ZHHFTPJGYPQOGW-OAQYLSRUSA-N 438.553 4.318 5 20 IIBD CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)NC(=S)N1 916191903 FDHZKEWYEBTTQP-NRFANRHFSA-N 449.488 4.391 5 20 IIBD CC(C)[C@@H](OC(=O)CCOc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc2ncccc12 919491403 UNJAHKJRDXKJNW-JOCHJYFZSA-N 437.452 4.118 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Oc2ccc(N3CCOC3=O)cc2)cc1[N+](=O)[O-])c1ccccn1 920115852 MRKOJTHTLPSPRC-OAHLLOKOSA-N 448.435 4.339 5 20 IIBD CCC/C(C)=C/C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 920214674 MPERNOJSENDNTC-FOMACHKRSA-N 437.905 4.147 5 20 IIBD COc1ccc(Cn2ncc(C)c2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC 920244230 XQZCAQGYFOOMOH-UHFFFAOYSA-N 430.848 4.071 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC(=O)N(C)[C@H]1CCCc2ccccc21 920778830 WWXVLHISCALZFP-KDOFPFPSSA-N 446.887 4.095 5 20 IIBD Cc1c(-c2nnc(CSc3ccc(Cl)cc3)o2)nnn1-c1cccc([N+](=O)[O-])c1 1117212582 HHBXTNWLDCXRDB-UHFFFAOYSA-N 428.861 4.480 5 20 IIBD CC1=C(C(=O)N(C)C)[C@H](c2ccc([N+](=O)[O-])cc2Cl)NC(=S)N1c1ccc(F)cc1 1254537195 RSQPEQHQCMVSGF-SFHVURJKSA-N 448.907 4.185 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)C(=O)NCc1ccco1 1317691790 NIUDJGNACNTUGO-CQSZACIVSA-N 426.450 4.201 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(-n2cnc3ccccc32)nc1 1344558438 ZTJYASKFQWESBQ-UHFFFAOYSA-N 432.440 4.049 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)NC1(c2ccc(NC(=O)c3ccccn3)cc2)CCC1 1787297108 OODXNRFSTFFXMV-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD Cc1ccncc1C(=O)Nc1ccc(C2(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)CCC2)cc1 1788822875 MKUYGPDQCWIFHZ-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3cnccc3Cl)cc2)CCC1)c1ccc([N+](=O)[O-])[nH]1 1789679969 WOKCAXYITWXUTH-UHFFFAOYSA-N 439.859 4.033 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2ccoc2s1)c1cccc(F)c1[N+](=O)[O-] 1796582571 RZMOLCZMHASBTB-BTTYYORXSA-N 443.456 4.107 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)C3)s1 1797150982 BJPOBMGTFJOJHX-BTTYYORXSA-N 431.514 4.112 5 20 IIBD CC1=CC[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c(F)ccc([N+](=O)[O-])c2C)C3)CC1 1797695791 WMAKXGZJCXGKDP-ZJPYXAASSA-N 429.492 4.041 5 20 IIBD CC(C)=CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc(Cl)cc1[N+](=O)[O-])C2 1799986596 NJSQLWOMNFKUPK-REPLKXPHSA-N 433.936 4.175 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC2(CCCN(C(=O)/C=C/c3ccoc3)C2)CC1 1806825246 IDORKLTZOMFNTP-CDJQDVQCSA-N 449.507 4.146 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3ccoc23)[nH]n1)c1ccc([N+](=O)[O-])o1 1814312262 LNTHXMOXGNLJPC-INIZCTEOSA-N 449.423 4.277 5 20 IIBD O=C(C1=CCCC1)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830613791 DXTPKNCCJWNLCY-OAQYLSRUSA-N 429.492 4.078 5 20 IIBD Cc1ccc(CCC(=O)N2CC3(CCCN3C(=O)c3ccc([N+](=O)[O-])o3)C2)c2ccccc12 1840967469 LUULASOASMFSLL-UHFFFAOYSA-N 447.491 4.099 5 20 IIBD CCC[C@H]1CC[C@H](C(=O)N2CC3(CCCN3C(=O)CCc3cccc([N+](=O)[O-])c3)C2)CC1 1841808292 CZTIOXKMIRNKEF-XUTJKUGGSA-N 441.572 4.337 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C(=O)Nc1ccc(Cl)cc1Cl 10016970 MDSSCDNVMMTOEA-SNVBAGLBSA-N 426.256 4.152 5 20 IIBD COC(=O)c1cc(C(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)cc([N+](=O)[O-])c1 10578177 CQOADPGQGQIVJC-UHFFFAOYSA-N 427.438 4.074 5 20 IIBD COc1cc(COC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c([N+](=O)[O-])cc1OC(F)F 12484452 WKDKKUJKOZDLDB-UHFFFAOYSA-N 432.719 4.123 5 20 IIBD C[C@@H](Sc1nnnn1C1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 16295183 ARDLUQRZMCFGJF-SNVBAGLBSA-N 444.439 4.225 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 18026261 ZIDFOEZGGOJLAU-UHFFFAOYSA-N 440.412 4.349 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1OC 19357885 SWYSCQXIVHAFRW-CYBMUJFWSA-N 427.413 4.279 5 20 IIBD COc1ccccc1Nc1nnc(S[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)s1 21681204 CYEGVASKRWFKBJ-SNVBAGLBSA-N 449.489 4.457 5 20 IIBD Cc1ccc(C(=O)C2CCN(C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)CC2)c(C)c1 25303130 NCYNOODPVANSHK-UHFFFAOYSA-N 432.480 4.132 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 25309032 ILOJGHPSPBSNCB-UHFFFAOYSA-N 448.475 4.352 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccccc1C(=O)N[C@@H](C)c1ccccc1 25716088 SZDNDFYFKFHYTH-KRWDZBQOSA-N 432.480 4.445 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CN3CCCN(Cc4ccc(Cl)cc4)CC3)n2)c1 25936877 FTNCKPCZFMWXKB-UHFFFAOYSA-N 427.892 4.006 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1ccc(N2CCc3ccccc3C2)nc1 58417083 QFCXWEQJLPHYLO-UHFFFAOYSA-N 445.523 4.061 5 20 IIBD CNS(=O)(=O)c1ccc(S[C@H](C)c2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])c1 65280675 WPZFWUAXVOSBJZ-SNVBAGLBSA-N 436.433 4.255 5 20 IIBD O=C(c1csc(-c2cccc(Cl)c2)n1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 104914853 HLYMHIZCQVMYEP-UHFFFAOYSA-N 428.901 4.334 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CN1C(=O)[C@H](c2ccccc2)N(Cc2ccccc2)C1=O 106030104 IYGMAQQCRJUQRZ-QFIPXVFZSA-N 431.448 4.309 5 20 IIBD CN(C)C(=O)Sc1ccccc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 110649094 CDJLEUYETLBSEC-UHFFFAOYSA-N 428.514 4.224 5 20 IIBD COC(=O)c1cc(C(=O)Nc2cc(C)nn2-c2ccccc2C(F)(F)F)cc([N+](=O)[O-])c1 253478199 JTORORSILJMCDB-UHFFFAOYSA-N 448.357 4.147 5 20 IIBD COc1cc(N2CCN(Cc3csc(-c4ccccc4)n3)CC2)c(F)cc1[N+](=O)[O-] 301975632 VWEVDSYJPQTULN-UHFFFAOYSA-N 428.489 4.188 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@H]2CCC[C@@H]2c2ccccc2)cc(Br)cc1[N+](=O)[O-] 430324912 VZLDYJOCJKNFOE-CVEARBPZSA-N 446.301 4.057 5 20 IIBD COc1cc(CN2CCC(c3nc(-c4ccccc4OC)no3)CC2)c([N+](=O)[O-])cc1F 433161297 XPQYTPDVCBPIQY-UHFFFAOYSA-N 442.447 4.181 5 20 IIBD CC(C)c1[nH]nc(C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)c1[N+](=O)[O-] 433854396 WDALESYZJKQSKA-UHFFFAOYSA-N 443.895 4.332 5 20 IIBD C[C@@H](NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])C(=O)N1Cc2ccccc2C1 440889652 QWZWVQMIPAQGJN-MRXNPFEDSA-N 447.516 4.407 5 20 IIBD CCCN(C(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1)c1cccc([N+](=O)[O-])c1 441439030 KIMKZBYCCBRJEG-QGZVFWFLSA-N 445.541 4.215 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)N1CCCC2(CCCCCC2)C1 442691654 AEJDCPHQIXOZKV-UHFFFAOYSA-N 425.432 4.098 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc(-c2cccnc2)no1 443867131 HYAWPQREFUEWSI-OAHLLOKOSA-N 435.362 4.186 5 20 IIBD C[C@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1ccc(-n2cccn2)cc1 444122699 LBCVQICAUVMSDK-HNNXBMFYSA-N 426.451 4.497 5 20 IIBD Cc1nc2c(n1[C@@H]1CCN(C(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)C1)CCCC2 444341946 TYBYCOWYXMFJGI-MRXNPFEDSA-N 444.510 4.291 5 20 IIBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1c(F)cc(Br)cc1F 445716120 MMZTYPYNUFLFIT-UHFFFAOYSA-N 429.173 4.049 5 20 IIBD O=C(NCc1ccco1)Nc1ccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 447060007 ZWTBTSCZXKZSRT-UHFFFAOYSA-N 435.440 4.100 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCc1ccccc1CN1CCOCC1 447685349 KLDLBRAJVNIRFO-UHFFFAOYSA-N 446.376 4.088 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(c1nnc(-c3cccc(Cl)c3)n1C[C@H]1CCOC1)CC2 461520186 OPXAXGGXGWVTGB-OAHLLOKOSA-N 439.903 4.106 5 20 IIBD CCS[C@H]1CCCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCOC2)C1 461536855 NVLKSNSNUXCLQO-APWZRJJASA-N 431.562 4.002 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC[C@H]1CCN(c2ccccc2F)C1 463406791 UIDJEESCMQPMAT-CYBMUJFWSA-N 440.397 4.078 5 20 IIBD Cc1sc(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)nc1-c1ccc2c(c1)CCC(=O)N2 466614236 PRIOBNPTGYOFJY-UHFFFAOYSA-N 440.456 4.232 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl 468219573 SPMKTUORKKXRJU-RTHLEPHNSA-N 432.283 4.151 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2ccc(Br)c(Cl)c2)CC1 469020348 QAIPPBQVHNKHDO-UHFFFAOYSA-N 444.738 4.030 5 20 IIBD CCCN(Cc1c(F)cccc1Cl)C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 469104717 XGSRYWTYDXIVNO-UHFFFAOYSA-N 447.850 4.093 5 20 IIBD COc1cc(C(=O)Nc2ccc(F)c(-c3nnc4n3CCCCC4)c2)cc([N+](=O)[O-])c1C 478048465 RKJXHBAWZSGMHL-UHFFFAOYSA-N 439.447 4.288 5 20 IIBD CO[C@@]1(C)CCCN(c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])C1 480353722 HLQAUGFDMNJZMP-NRFANRHFSA-N 433.530 4.018 5 20 IIBD O=[N+]([O-])c1cccc2ncnc(N3C[C@H]4CCC[C@@]4(c4nc(-c5ccccc5)no4)C3)c12 480795635 NTOBSNYESIEAQV-WAIKUNEKSA-N 428.452 4.146 5 20 IIBD CN(C)CC1CCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 480968935 UGMFOFMUGRKYJQ-OAQYLSRUSA-N 430.936 4.202 5 20 IIBD Cn1nc([N+](=O)[O-])cc1C(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 481516386 DPRLOMPKZBBWMA-UHFFFAOYSA-N 448.361 4.243 5 20 IIBD Cc1nc(SCC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])[nH]c1Cc1ccccc1 482937414 WRAOCQTZGHMDDP-UHFFFAOYSA-N 444.944 4.322 5 20 IIBD Cc1c(CNC(=O)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cccc1[N+](=O)[O-] 483818872 LXFSNOBTTIZYSD-UHFFFAOYSA-N 449.307 4.196 5 20 IIBD O=C(NCc1nc(CN[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cs1)c1ccccc1 484282475 XMBTWXRXWJVXTD-FQEVSTJZSA-N 436.537 4.092 5 20 IIBD CCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H](C)Cc1ccccc1C(F)(F)F 485273812 KCVJTVFVYTWOKJ-CQSZACIVSA-N 437.418 4.340 5 20 IIBD CCOC(=O)c1sc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])nc1C(C)C 486458536 KGIZDHAKQWEIDQ-UHFFFAOYSA-N 448.320 4.428 5 20 IIBD COc1ccc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cc1NC(=O)C1CCCCC1 487148013 SBUMFNYMJNNOPN-UHFFFAOYSA-N 441.440 4.103 5 20 IIBD CC(C)(NC(=O)NCCCNc1ccc(C(F)(F)F)cn1)c1ccccc1[N+](=O)[O-] 487866051 GENWYJBZJVJNCE-UHFFFAOYSA-N 425.411 4.045 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)c1C 488379175 KZKWUHVDTHJGIB-AWEZNQCLSA-N 440.905 4.081 5 20 IIBD Cn1ccc([C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c2ccc(Cl)cc2)n1 490008281 VUSFBRHNVYJGMQ-IBGZPJMESA-N 427.892 4.306 5 20 IIBD COc1cc(CNCc2ccccc2-n2nc(C)cc2C)c([N+](=O)[O-])cc1OCC(F)F 493734481 IGVDMIYVSAVRLZ-UHFFFAOYSA-N 446.454 4.340 5 20 IIBD C[C@H]1[C@H](NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CCN1Cc1ccccc1 494081660 ZXWWBQJFTUEWET-OYHNWAKOSA-N 447.485 4.352 5 20 IIBD COCC(=O)N1CCc2cc(NCc3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)ccc21 494474628 KVSYANJKJCDITC-UHFFFAOYSA-N 437.452 4.011 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)cc1OC 499991341 YEJQLVOWDWUMHF-INIZCTEOSA-N 436.411 4.411 5 20 IIBD CC(C)c1ccc(C[C@H](C)NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1 500399948 ZXSSIVFRFWGPPS-INIZCTEOSA-N 425.485 4.154 5 20 IIBD O=C(N[C@@H](c1ccccc1)c1cccc(Cl)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 501411077 HVWQMRPEGLGJPP-NRFANRHFSA-N 433.855 4.348 5 20 IIBD COc1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc(OC)c1Br 502009720 YPXWLORIRZAZBM-UHFFFAOYSA-N 437.290 4.425 5 20 IIBD CCn1c(SCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])nnc1-c1ccco1 502846535 QUKGVWMRIVHIHQ-UHFFFAOYSA-N 440.428 4.411 5 20 IIBD COc1cc(C(=O)NCc2ccccc2OC2CCCC2)c([N+](=O)[O-])cc1OC(F)F 502937130 VTSGRHLCRLLJHC-UHFFFAOYSA-N 436.411 4.456 5 20 IIBD CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1OC 506652612 GYWTXXRKPGXHEV-KNQAVFIVSA-N 425.485 4.322 5 20 IIBD O=C(NCC1(c2cccs2)CCCCC1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 508833410 HHAMCOHNAMJEHV-UHFFFAOYSA-N 441.553 4.166 5 20 IIBD COc1cc([C@@H]2NC(=O)c3cccc(OC)c3O2)ccc1OCc1ccc([N+](=O)[O-])cc1 511210597 YVZHFHNRFYNGAJ-HSZRJFAPSA-N 436.420 4.012 5 20 IIBD CN(c1ccccc1)c1ccc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)cc1[N+](=O)[O-] 513667425 RMRMRWPWZSRWLH-LJQANCHMSA-N 432.528 4.280 5 20 IIBD Cn1ccnc1[C@H](NCCCc1nc(-c2ccncc2)cs1)c1cccc([N+](=O)[O-])c1 513697915 UIIRIRMSOWVPPA-OAQYLSRUSA-N 434.525 4.159 5 20 IIBD CCOc1ccc(Oc2ccccc2NC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 514642900 LJDFEMQLINQMBM-UHFFFAOYSA-N 449.463 4.463 5 20 IIBD C[C@H](NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1cccc([N+](=O)[O-])c1 515446853 HPGUJPWOADLDOF-AWEZNQCLSA-N 449.429 4.343 5 20 IIBD COc1ccccc1CN(C[C@H]1CCCO1)C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 518259738 SFFCKVPPKAXBNE-VQIMIIECSA-N 430.526 4.292 5 20 IIBD CN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@@H]1CCN(c2ccccc2Cl)C1=O 518409218 MGZSZMOXIQAMTJ-GOSISDBHSA-N 429.904 4.423 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(Cc1ccccc1F)c1ccc(F)cc1 518954361 RABQMCBYXFYTFB-UHFFFAOYSA-N 434.420 4.277 5 20 IIBD COc1cccc(OC(F)(F)F)c1CNC(=O)c1ccc([N+](=O)[O-])cc1Br 519840692 JKEKEIFSGUPBEZ-UHFFFAOYSA-N 449.179 4.195 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl 520410077 NSHLTJWBWURCGA-SNVBAGLBSA-N 426.256 4.009 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C)c(C(F)(F)F)s1 520493539 LIVBRAFXCSZIBO-UHFFFAOYSA-N 449.432 4.286 5 20 IIBD CCN(CC)C[C@@H](C)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] 520564479 PXUHWIAQTRINSS-QGZVFWFLSA-N 434.562 4.155 5 20 IIBD CCNC(=O)Nc1cccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1 521476800 ZZIFYIJIRKGDSC-IYBDPMFKSA-N 439.516 4.471 5 20 IIBD O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 523549867 WAIKKJXEFAQEBC-UHFFFAOYSA-N 431.239 4.121 5 20 IIBD COc1cc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc([N+](=O)[O-])c1OC 525003579 KNFFXBWAJVSIME-UHFFFAOYSA-N 427.482 4.242 5 20 IIBD CCOc1cc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1O[C@@H](C)C(=O)N(C)C 531206458 FHWFRMNZFKFSMG-IRXDYDNUSA-N 429.517 4.008 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 534732751 KCHDMXJJRZSOIZ-UHFFFAOYSA-N 445.401 4.044 5 20 IIBD COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)SCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1C 534794893 UKSKMCNKQOEYGD-CYBMUJFWSA-N 443.481 4.486 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(OC(F)F)cc1OC(F)F 535372780 MIOIRYNIQVGMFC-UHFFFAOYSA-N 427.310 4.460 5 20 IIBD CCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc([N+](=O)[O-])ccc1SC(C)C 537096746 JUYUESLCAPZGHJ-UHFFFAOYSA-N 431.514 4.205 5 20 IIBD O=C(NCC1CCN(c2ccncc2)CC1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 539036953 ZLRURSBTMCXZQS-UHFFFAOYSA-N 445.523 4.248 5 20 IIBD COc1ccc(NC(=O)CN[C@@H](C)[C@@H](C)c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 541637243 QOHFPYUEXUISEE-OLZOCXBDSA-N 425.407 4.343 5 20 IIBD Cc1cc(C(=O)NCC(=O)N2CC[C@@H](C)[C@H]2c2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] 542088292 NLFCZNNQBBWYOA-XCLFUZPHSA-N 449.429 4.262 5 20 IIBD C[C@@H](c1noc(-c2ccc([N+](=O)[O-])cc2I)n1)c1cccs1 546456521 KLHYHJMVURPIOS-MRVPVSSYSA-N 427.223 4.463 5 20 IIBD CC(C)CN(C(=O)c1cnc2nccnc2c1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 546756076 MJXLEYCLKSQQRC-UHFFFAOYSA-N 434.481 4.359 5 20 IIBD CCN(CC)C(=O)COc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c1 549338681 DECXRJYKJORZOB-UHFFFAOYSA-N 439.390 4.113 5 20 IIBD Cc1ccc(C)c(NC(=O)[C@H](C)[S@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1 550957457 VVIPWLLSCGGAJU-INCQDFKNSA-N 427.482 4.143 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 552782616 WOQDBJRYOLUVMY-UHFFFAOYSA-N 443.569 4.498 5 20 IIBD CNC(=O)c1cc(Oc2cccc(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)c2)ccn1 553781108 WPLGXNGTHTWZOX-CYBMUJFWSA-N 438.415 4.023 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C 555799881 NJRFYPPRLGLKKI-KRWDZBQOSA-N 447.264 4.058 5 20 IIBD Cc1ccc(C[C@H]2CCCN(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)C2)cc1 557699846 BCUDSYPNQZSCKY-RTBURBONSA-N 441.553 4.051 5 20 IIBD CC[C@H](C)n1ncc(NC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c1C 558862927 VOCRMPCGZSQRTJ-WMLDXEAASA-N 431.493 4.275 5 20 IIBD Cn1ccnc1[C@@H](NC1CCN(c2nc3ccccc3s2)CC1)c1ccc([N+](=O)[O-])cc1 560527706 NWOISYLKYZHOCU-NRFANRHFSA-N 448.552 4.286 5 20 IIBD CC(=O)c1cc(Br)ccc1OCc1nc(-c2ccc([N+](=O)[O-])cc2C)no1 569389883 IHCNJQMXRVMKOB-UHFFFAOYSA-N 432.230 4.497 5 20 IIBD CCC1(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCOCC1 570992249 BRWCDCYXWMQTMK-UHFFFAOYSA-N 448.523 4.313 5 20 IIBD CCC(CC)c1cc(CNCc2cc(I)cc([N+](=O)[O-])c2)on1 577786775 MVQGLGCFSNUDNU-UHFFFAOYSA-N 429.258 4.381 5 20 IIBD Cc1noc(C)c1CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1c(C)noc1C 578800875 DHGORBNAYQJWNF-UHFFFAOYSA-N 438.444 4.057 5 20 IIBD O=C(CCc1nnc(-c2ccccc2)o1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 603741868 BMAVZJPDAJWBJQ-UHFFFAOYSA-N 434.374 4.169 5 20 IIBD Cc1sc(NC(=O)CCc2nc(-c3ccco3)no2)nc1-c1cccc([N+](=O)[O-])c1 603997472 JZEUMQFYORSJLA-UHFFFAOYSA-N 425.426 4.241 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1cccc(Br)c1 604016158 FLLKTIRSINUVKZ-LLVKDONJSA-N 426.698 4.470 5 20 IIBD COc1ccc(CNC(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] 604084916 PUKZKAMODRYIEY-HOTGVXAUSA-N 440.500 4.043 5 20 IIBD Cc1ccc2c(C3=CCN(C(=O)c4cnn(-c5ccc([N+](=O)[O-])cc5)c4)CC3)c[nH]c2c1 604103729 LAOJWQXRDZMQKR-UHFFFAOYSA-N 427.464 4.500 5 20 IIBD COc1cccc(CN(C[C@H]2CCCO2)C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 604447666 TZWJGBXZKUJSAD-DNVCBOLYSA-N 448.903 4.232 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 604457663 VEYKHQYXDGXGOH-MRXNPFEDSA-N 447.495 4.213 5 20 IIBD Cc1nc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)nn1-c1c(Cl)cccc1Cl 609860150 SGEYRTDGOGPQAE-UHFFFAOYSA-N 432.267 4.384 5 20 IIBD O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCN(Cc2ccc(Br)s2)CC1 609873414 NGWZUNNAEAVQBL-UHFFFAOYSA-N 444.738 4.030 5 20 IIBD COc1ccc(N(Cc2ccco2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1F 610058398 AHCCJXVNVOTVGG-UHFFFAOYSA-N 440.836 4.384 5 20 IIBD COc1cc(CNc2ccc(CNC(C)=O)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 610910821 OJARZHBJYMFSHC-UHFFFAOYSA-N 435.480 4.431 5 20 IIBD O=C1CCCN1C[C@@H](NCc1c(F)cccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 611379356 JMRFDEJUKXZMJW-QGZVFWFLSA-N 425.382 4.206 5 20 IIBD C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1ccc([N+](=O)[O-])cc1I 611549783 ZZUMABVGIBMFSV-BDAKNGLRSA-N 442.175 4.002 5 20 IIBD O=C(CSc1ccc(Br)cc1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 619213846 SLGJILFCAQVPPA-UHFFFAOYSA-N 439.287 4.249 5 20 IIBD COc1ccc(C(OC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)c2ccc(OC)cc2)cc1 726733472 ATSXNZOQCAJHMZ-UHFFFAOYSA-N 439.468 4.148 5 20 IIBD O=C(CCc1ccccc1F)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727329839 RNPTXPTUVQSDJZ-UHFFFAOYSA-N 425.382 4.034 5 20 IIBD Cc1sc(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c(C(N)=O)c1C 728168177 BHAJKMGCDUDTPG-TXEJJXNPSA-N 430.530 4.107 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)c1cc(F)c(F)c(F)c1)c1cccc([N+](=O)[O-])c1 728515670 IDPNYWYDQZBILN-HNNXBMFYSA-N 436.386 4.254 5 20 IIBD C[C@H](OC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1cccc(F)c1 730035327 XSJOSYYNXYEOBD-NSHDSACASA-N 443.353 4.125 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 731038266 OUYKTVNBJBQYCV-JLTOFOAXSA-N 426.448 4.291 5 20 IIBD Cc1ccc(N(C)C(=O)c2ccc([N+](=O)[O-])cc2I)cc1Cl 733224026 UNYGIZDDTFHRMV-UHFFFAOYSA-N 430.629 4.438 5 20 IIBD C[C@@H](CC(=O)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(C(F)(F)F)cc1 733525367 ZQBQORCVYHIIIQ-ZDUSSCGKSA-N 436.386 4.240 5 20 IIBD O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1csc(-c2ccccc2F)n1 735347908 PRFOJRVVKKPRMK-UHFFFAOYSA-N 443.412 4.012 5 20 IIBD O=C(N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)C1(c2ccccc2F)CC1 736011756 TWCBPDCFKVXUCA-UHFFFAOYSA-N 437.393 4.133 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cc([N+](=O)[O-])c1 736196230 UDVLGDTXGOEMKY-UHFFFAOYSA-N 437.364 4.334 5 20 IIBD Cc1ccc([C@H](C)NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1C 740424063 XOXGIFWHKNGYKX-ZDUSSCGKSA-N 435.274 4.008 5 20 IIBD CCCCC[C@H](NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 741084880 VLFUPDVQUWNJFR-QFIPXVFZSA-N 438.528 4.384 5 20 IIBD CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 742016656 DHBGQZQALLDHCQ-HXUWFJFHSA-N 425.529 4.223 5 20 IIBD C[C@H](OC(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)c1ccccc1[N+](=O)[O-] 744066810 WUOAIXDYSBAPJE-DOTOQJQBSA-N 443.525 4.151 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3cnn(-c4ccccc4)c3)CC2)ccc1[N+](=O)[O-] 744204900 SNVGODFCPVXHME-UHFFFAOYSA-N 436.468 4.005 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)Nc2cccc(C)c2C)c([N+](=O)[O-])cc1OC(F)F 744535333 XZPJFHPBBYZMDR-GFCCVEGCSA-N 438.383 4.006 5 20 IIBD CN(CC(=O)OCc1ncc(-c2ccccc2Br)o1)c1ccccc1[N+](=O)[O-] 745614882 PVLUQYOSGAHPRQ-UHFFFAOYSA-N 446.257 4.192 5 20 IIBD Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)OCc3cc(Cl)ccc3[N+](=O)[O-])C2)c1 746068276 FGNPIVJIXLLDDR-INIZCTEOSA-N 430.888 4.461 5 20 IIBD CCN(C)C(=O)COC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 746561177 TUSWOHHRUBXUFX-VBKFSLOCSA-N 439.493 4.157 5 20 IIBD O=[N+]([O-])c1ccccc1CN(C1CC1)S(=O)(=O)c1cc2ccc(Cl)nc2cc1F 746684636 FUFUUBYZRNSJMR-UHFFFAOYSA-N 435.864 4.289 5 20 IIBD CN(C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)OC(C)(C)C 746876404 DLQANUHYZJHWTG-AWEZNQCLSA-N 431.411 4.085 5 20 IIBD C[C@H](c1ccccc1)[C@@](C)(O)C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 747350121 MUMMXOOWOXLQHX-VOIUYBSRSA-N 434.448 4.307 5 20 IIBD Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 748915169 GFWHNGOYWQLZLV-UHFFFAOYSA-N 427.844 4.150 5 20 IIBD Cc1cccc(C(=O)N2CCCC2)c1NC(=O)c1cc([N+](=O)[O-])ccc1Br 751080201 DAWGQMIDJPTHCB-UHFFFAOYSA-N 432.274 4.154 5 20 IIBD Cc1c(Br)cc(C(=O)N[C@H](C)c2ccc(N3CCOC3=O)cc2)cc1[N+](=O)[O-] 753045356 AJUKLGOINSCJPW-GFCCVEGCSA-N 448.273 4.113 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N[C@H](C)c2cccc(Cl)c2)cc1[N+](=O)[O-] 753855843 ZYMOBQLHQJJYFH-SNVBAGLBSA-N 440.681 4.135 5 20 IIBD CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCc3c2cccc3[N+](=O)[O-])c1Cl 754409004 IQGVMJVHNKTVAT-UHFFFAOYSA-N 443.308 4.288 5 20 IIBD COCCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@H](C)c1ccccc1 754995306 YNIWXFJHSBTIDL-GFCCVEGCSA-N 425.254 4.346 5 20 IIBD Cc1ccc(N2CCC[C@@H](NC(=O)c3cc(F)cc([N+](=O)[O-])c3Br)C2)cc1 755014447 STDIDXDQNGDDQR-CQSZACIVSA-N 436.281 4.204 5 20 IIBD COc1ccc(-c2nc(COC(=O)c3ccc([N+](=O)[O-])cc3OC)cs2)cc1OC 755672238 GIHBZRNKHILRGF-UHFFFAOYSA-N 430.438 4.101 5 20 IIBD C[C@H](C(=O)Nc1cc2c(cc1NC(=O)OC(C)(C)C)OCO2)c1cccc([N+](=O)[O-])c1 761998157 GSTJETPQWMOZNW-LBPRGKRZSA-N 429.429 4.413 5 20 IIBD O=C(OCc1nc(-c2cc(Br)cs2)no1)c1c[nH]c2cccc([N+](=O)[O-])c12 762908417 RVXKJNBMHOYLPK-UHFFFAOYSA-N 449.242 4.307 5 20 IIBD O=C(O[C@H]1CCCN(c2ccccc2F)C1=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 763676380 IXUFNNLECPXHAE-SFHVURJKSA-N 441.440 4.210 5 20 IIBD C[C@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1nc2cc(Br)cnc2[nH]1 764633564 QHIJBHAVKLZFSS-JTQLQIEISA-N 433.262 4.211 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)C1 765834716 BDDOOBZLVGURFV-DNVCBOLYSA-N 435.546 4.206 5 20 IIBD O=C(O[C@H]1CCOc2cc(F)ccc21)c1ccc([N+](=O)[O-])cc1I 766298299 CQPQPPDWUZCRAE-AWEZNQCLSA-N 443.168 4.019 5 20 IIBD COc1ccc(NC(=O)C2(NCc3ccc(Cl)c([N+](=O)[O-])c3)CCCC2)cc1OC 768549166 SIFJXKIYBFPVAZ-UHFFFAOYSA-N 433.892 4.307 5 20 IIBD O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)c1ccc([N+](=O)[O-])c(Cl)c1 768709812 IAHKFFBXIZPVRV-LBPRGKRZSA-N 438.709 4.267 5 20 IIBD C[C@H](OC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 772114075 OVQCQPYQKQTFNF-AWEZNQCLSA-N 443.456 4.055 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 775090795 JTJLRWDUCDOQAS-CYBMUJFWSA-N 446.481 4.051 5 20 IIBD COc1ccc([C@H]2[C@@H](COC(=O)c3cccc(SC)c3[N+](=O)[O-])CCC(=O)N2C)cc1 777320147 DTOXHYXVRVXSFJ-QRWLVFNGSA-N 444.509 4.092 5 20 IIBD Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 778149595 QUQZKRSKVVLSJW-NSHDSACASA-N 447.419 4.489 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 778756490 HDFJOWCGBUJYRN-HNNXBMFYSA-N 429.450 4.388 5 20 IIBD C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781718968 ZAZWOQCNPSROSX-GFCCVEGCSA-N 425.363 4.202 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H](CCO)c1ccccc1Br 781802044 PJNNMRIRPWOBPB-AWEZNQCLSA-N 428.670 4.256 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])c(F)c1)c1cccc(CS(=O)(=O)c2ccccc2)c1 783040399 RILJCDOEZUQTSD-UHFFFAOYSA-N 429.425 4.065 5 20 IIBD CCc1cnc(COC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)s1 785071114 RFVZVYAJCXCGBF-UHFFFAOYSA-N 439.493 4.268 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)OCc1cncc(OCc2ccccc2)c1 786788249 VEUBCVMYXPZCDE-UHFFFAOYSA-N 445.431 4.239 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)C(F)(F)F 787134468 XZTASNREAZRXNI-SFHVURJKSA-N 433.390 4.013 5 20 IIBD Cc1c(Br)ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1F 788741280 HUNREFXHNTXNIO-UHFFFAOYSA-N 437.269 4.159 5 20 IIBD Cc1cnc(COC(=O)c2cccc(OCc3cn4ccccc4n3)c2)c(C)c1[N+](=O)[O-] 789440770 MHLZYDOXDUJCHK-UHFFFAOYSA-N 432.436 4.190 5 20 IIBD O=C(c1cccc(OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)N1CCc2ccccc2C1 789588771 BTXLYNFQNLHSSY-UHFFFAOYSA-N 433.420 4.281 5 20 IIBD CN(C)Cc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1Cl 794230853 BBYXGBJUMDKODV-UHFFFAOYSA-N 430.661 4.464 5 20 IIBD CCOC(=O)/C(=C\c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccc([N+](=O)[O-])cn1 794950436 VWQFYZKLHZYRFI-WJDWOHSUSA-N 432.358 4.298 5 20 IIBD COC(=O)c1cc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c(Cl)c1 795614270 DXXYWFJCAMBCQC-UHFFFAOYSA-N 433.269 4.106 5 20 IIBD O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 798299672 LVGDENVAASFETC-QGZVFWFLSA-N 432.263 4.427 5 20 IIBD O=[N+]([O-])c1ccc(Sc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)c([N+](=O)[O-])c1 800143881 NFWZLTYAXGZFSL-OAHLLOKOSA-N 445.432 4.231 5 20 IIBD C[C@@H](COC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 800166025 YQXYZMGAECFENK-NSHDSACASA-N 444.793 4.344 5 20 IIBD Cc1c(Cl)cccc1NC(=O)Cc1noc(-c2cc([N+](=O)[O-])ccc2N2CCCC2)n1 809459996 MAMPCLQFXDWIEZ-UHFFFAOYSA-N 441.875 4.388 5 20 IIBD O=C(OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1nccn2c(Br)cnc12 811085640 VNDBGBNMVBCPHH-UHFFFAOYSA-N 446.044 4.064 5 20 IIBD COc1cc(C(=O)OCc2csc(COc3ccc(C)cc3)n2)c([N+](=O)[O-])cc1OC 811513383 HJGZIHWROCZQKC-UHFFFAOYSA-N 444.465 4.313 5 20 IIBD C[C@@H]1CN(Cc2csc(NC(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])n2)C[C@@H](C)O1 812853709 SQEXVTVCPDVZPW-NXEZZACHSA-N 445.328 4.220 5 20 IIBD CS(=O)(=O)Nc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1Cl 813404735 LVNBXNQYKPBTSL-UHFFFAOYSA-N 438.676 4.179 5 20 IIBD C[C@@H](c1ccc(F)cc1)N1CC[C@@H](OC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1=O 815236181 RJOQMWUPJKFJKE-NPMXOYFQSA-N 444.462 4.339 5 20 IIBD O=C(N[C@H](c1ccccc1)[C@@H](O)c1ccccc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 816795224 WPGMHCXNUCGDBZ-RPBOFIJWSA-N 445.519 4.402 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3cccc(OCc4cccnc4)c3)no2)cc1-n1ccnc1 904503312 QEZJWMSKGFZWLH-UHFFFAOYSA-N 440.419 4.472 5 20 IIBD C[C@H](Cc1ccco1)NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 914744900 DXIYJOCXVISNSR-CYBMUJFWSA-N 425.407 4.170 5 20 IIBD COc1ccc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1NC(=O)OC(C)(C)C 915078904 HWWZZSMUSAQIMA-UHFFFAOYSA-N 447.444 4.220 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCSc3c(F)cccc32)cc1Br 917874700 GDRDXOOYAOFMTK-ZDUSSCGKSA-N 447.307 4.012 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cc1Br 918145271 OGENMKKYHZLUFW-UHFFFAOYSA-N 441.181 4.057 5 20 IIBD C[C@H](OC(=O)c1cc(-c2ccccc2)no1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 919187450 USHGPJVBLZKLIG-NSHDSACASA-N 449.341 4.453 5 20 IIBD C[C@H](OC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1 919196431 ZYHPMBHKORCYJZ-JTQLQIEISA-N 446.765 4.373 5 20 IIBD C[C@H](OC(=O)c1ccc(O[C@H](C)c2ccccc2)nc1)C(=O)Nc1ccccc1[N+](=O)[O-] 919213635 GOXYHAZFNRTEMP-CVEARBPZSA-N 435.436 4.314 5 20 IIBD CC(=O)NCCCOC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 920513683 MKVCKNJFBIQFHW-GHRIWEEISA-N 439.493 4.205 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)CNc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl 920605152 XBNQFARDILZCLU-NWDGAFQWSA-N 440.283 4.123 5 20 IIBD CCOC(=O)[C@@H](C)NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 920744787 IRMMPTSCHLCYQQ-RGHBXIHOSA-N 439.493 4.203 5 20 IIBD O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C/c1cc([N+](=O)[O-])ccc1OC(F)F 920832610 XHANYKBWMLGDQA-WUXMJOGZSA-N 439.714 4.102 5 20 IIBD CC(C)Cn1ccc2cc(NC(=O)[C@H]3CC(=O)N(c4ccc(F)c([N+](=O)[O-])c4)C3)ccc21 921015850 GPFPFMLOZDMMGP-INIZCTEOSA-N 438.459 4.336 5 20 IIBD CN(C(=O)COC(=O)CCCOc1cccc(Cl)c1Cl)c1ccc([N+](=O)[O-])cc1 921221121 DXCGGCRPZQJERD-UHFFFAOYSA-N 441.267 4.267 5 20 IIBD O=C(c1cccc2ccccc12)N1CCC[C@@H](C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 1116156862 JWHXQKLGLJLVPJ-LJQANCHMSA-N 429.476 4.143 5 20 IIBD O=C(c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC[C@H]2CCCC[C@@H]2C1 1337821313 WTFUQCSNWKOHBX-IAGOWNOFSA-N 443.525 4.048 5 20 IIBD CC/C=C(\C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])[C@@H]1c1cccnc1 1814191521 CMVWPHUQVHPHIP-IESRTUPGSA-N 448.523 4.065 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[nH]n1)C1CC1 1823103968 KJFSQZNHTPFBNG-MRXNPFEDSA-N 439.497 4.249 5 20 IIBD O=C(CC1CCC1)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)[nH]n1 1823426339 LGIPPDCWCNRNKC-FQEVSTJZSA-N 439.516 4.133 5 20 IIBD CC(C)(C)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1826331847 XYIKDXBYOIVFBV-OAQYLSRUSA-N 429.561 4.193 5 20 IIBD C[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1)c1cccs1 1832141259 ZBDLXNPAAVJVBD-RDJZCZTQSA-N 445.541 4.286 5 20 IIBD Cc1c(Cl)cccc1C(=O)N1CC2(CCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)C1 1841806862 RFVZSIWDBZAJMA-UHFFFAOYSA-N 441.915 4.006 5 20 IIBD Cc1cc(Cl)cc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CCc2cccc([N+](=O)[O-])c2)c1 1847995352 KHDJIOLUGAATAE-SFTDATJTSA-N 441.915 4.005 5 20 IIBD Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N2[C@H](C)CCC[C@H]2C)n1 3520622 LSEHTXXQJZKMDT-ZIAGYGMSSA-N 449.554 4.457 5 20 IIBD Cc1nc2cc(F)ccc2cc1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 10859759 MBOCDQJDSCQLJU-NSHDSACASA-N 431.807 4.428 5 20 IIBD Cc1ccc(-c2csc3ncn(CCC(=O)OCc4cccc([N+](=O)[O-])c4)c(=O)c23)cc1 16167908 ZWNVBDMWWNKBIN-UHFFFAOYSA-N 449.488 4.475 5 20 IIBD C[C@@H](OC(=O)/C=C/c1cccs1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 20817092 ZSLPDYMYPCXIHV-ABZNLYFFSA-N 429.479 4.363 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Oc1ccc2cc(Br)ccc2c1 21053158 PPUKQBCXOVRCFG-UHFFFAOYSA-N 443.253 4.236 5 20 IIBD CCCCn1c(S[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nc2ccccc2c1=O 21680858 ZHLBPIZZUUVVAS-ZDUSSCGKSA-N 444.488 4.363 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccc(N2CCCCC2)cc1 22045704 IFSVVDHHUVLXEH-CQSZACIVSA-N 431.876 4.423 5 20 IIBD Cc1ccc([C@@H](NC(=O)COC(=O)c2ccc(Br)c([N+](=O)[O-])c2)C2CC2)cc1 22183813 DMTYXJDIBXFUKM-LJQANCHMSA-N 447.285 4.090 5 20 IIBD C[C@@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)Nc1cccc2ncccc12 22184268 HYZFYOCWTOMRRH-LLVKDONJSA-N 444.241 4.090 5 20 IIBD CCCC[C@@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)Nc1cc(C)on1 23437497 LCFRHYCRFCAZEN-CQSZACIVSA-N 440.250 4.008 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)NCCc1ccccc1 25986847 LZNKDJIXQZYQQF-UHFFFAOYSA-N 435.505 4.298 5 20 IIBD O=C(Nc1ccccc1)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 26799562 ULQLUEDGVKLMTG-UHFFFAOYSA-N 436.512 4.076 5 20 IIBD CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])Cc1cn(-c2ccccc2)nc1-c1ccccc1 27362841 VWRNHYJQJJFTSG-UHFFFAOYSA-N 441.491 4.178 5 20 IIBD Cn1cc(C(=O)NCc2cccc(COCc3ccco3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 64878439 ULRKYIBTEPXLLC-UHFFFAOYSA-N 446.463 4.235 5 20 IIBD CCCCNC(=O)c1ccc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 65101172 PERFJXMPQPQPMV-UHFFFAOYSA-N 438.509 4.178 5 20 IIBD Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2cc([N+](=O)[O-])ccc2Cl)c1C 69065986 FGCBQFJAYLTPJC-KRWDZBQOSA-N 445.903 4.125 5 20 IIBD CS(=O)(=O)Cc1cccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c1 116165198 DQZBSTSWWFPKMN-UHFFFAOYSA-N 425.466 4.135 5 20 IIBD NC(=O)c1cccc(CCNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c1 237755546 OGXGEUJZGUFGDN-UHFFFAOYSA-N 444.285 4.049 5 20 IIBD NS(=O)(=O)c1cccc(N[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)c1[N+](=O)[O-] 302156484 MWNNXKKMWVGBBA-OCCSQVGLSA-N 429.420 4.009 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1cc(Cl)ccc1OC1CCCC1 426660229 MSQVACJNHNHBQF-UHFFFAOYSA-N 431.876 4.167 5 20 IIBD COC(=O)c1cccc(NC2CCN(C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)c1 432469368 OCRBGPBNNPYAFE-MRXNPFEDSA-N 440.500 4.037 5 20 IIBD Cc1cc(F)cc(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 432734680 WWPZYZLPWBAYFZ-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD CCOc1ccc(-c2nc(CS(=O)(=O)Cc3ccc([N+](=O)[O-])c(OCC)c3)co2)cc1 434638860 VOQQVIPFLUKBJT-UHFFFAOYSA-N 446.481 4.162 5 20 IIBD Cc1cc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n(Cc2ccccc2)n1 435160280 FDNWWIXKAFSILR-UHFFFAOYSA-N 435.484 4.223 5 20 IIBD CN(CCCC(=O)OC(C)(C)C)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436362903 KLOISKFFOQJFDB-UHFFFAOYSA-N 430.451 4.153 5 20 IIBD O=C(O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Nc2ccccc2)cc1Cl 438806409 DJOXVNCJQBQKMU-UHFFFAOYSA-N 447.856 4.491 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N2CCC[C@H]2c2ccsc2)cc1[N+](=O)[O-] 439244183 GVYZJBUQVRJUSO-AWEZNQCLSA-N 431.333 4.253 5 20 IIBD C[C@@H](CO[C@H]1CCOC1)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 440857463 FUSNRMGHOKWVAI-BBRMVZONSA-N 436.917 4.323 5 20 IIBD Cc1cc2c(Br)ccc(C(=O)N3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)c2o1 442971210 YRXQNJNPNAWUOC-LBPRGKRZSA-N 445.273 4.134 5 20 IIBD COc1ccc2c(c1)[C@@H](NC(=O)c1cc(F)cc3c(=O)c4cccc(F)c4[nH]c13)CCO2 444319966 QWALCFJHGMKQNO-IBGZPJMESA-N 436.414 4.222 5 20 IIBD Cn1nc(-c2ccncc2)cc1NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444744788 OKJRCOGVOZWUDK-UHFFFAOYSA-N 431.402 4.007 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cc(C)n(-c4ccc(F)cc4F)n3)n2)c1 445578784 FHOJUYSRCPIHRL-UHFFFAOYSA-N 427.367 4.017 5 20 IIBD CC(=O)Nc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)cn1 447620348 SRUFARJPXIVCDH-UHFFFAOYSA-N 428.514 4.161 5 20 IIBD O=C1[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)CCN1c1cccc(Br)c1 447680432 GZXVPTNZDMAHDX-QGZVFWFLSA-N 427.258 4.123 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN(C(=O)c2cc3ccccc3s2)CC1 447732949 ZBDIERRHRYZADK-UHFFFAOYSA-N 437.521 4.333 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 460599533 RVQRMKLFAAJONJ-HNNXBMFYSA-N 432.318 4.185 5 20 IIBD CC(=O)c1cc(N[C@@H](C)c2ccc(Br)cc2OCCCO)ccc1[N+](=O)[O-] 461992411 IWLJZRYYOPGHQA-LBPRGKRZSA-N 437.290 4.494 5 20 IIBD CC(C)[C@H](Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)c1nc(-c2ccncc2)no1 462484995 BIQJGNJCPGBXEZ-FQEVSTJZSA-N 446.467 4.823 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CCO)c1ccccc1Br 462759118 WPYOXBBOWDEPFB-HNAYVOBHSA-N 435.318 4.166 5 20 IIBD O=C1Nc2ccccc2[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 463555180 VKFUCENTYXUFRL-GOSISDBHSA-N 433.386 4.202 5 20 IIBD Cc1cc(NC(=O)CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)ccc1Br 463958824 NQNAXCDRLMZOKJ-UHFFFAOYSA-N 435.278 4.043 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](C)N(Cc2ccccc2)CC1 464842888 MWSIJTMPAMPUNF-SJORKVTESA-N 430.936 4.172 5 20 IIBD Cc1cccc(COc2ccc(NC(=O)C(=O)NCCc3ccccc3[N+](=O)[O-])c(C)c2)c1 467988297 LEQFKGFLFZLFSO-UHFFFAOYSA-N 447.491 4.088 5 20 IIBD COc1cc(S(=O)(=O)N(C)[C@@H](C)c2sc(-c3ccccc3)nc2C)ccc1[N+](=O)[O-] 468820085 DEQUGQPNZGVGLC-AWEZNQCLSA-N 447.538 4.417 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(OCc2ccccc2C)c1 468893869 JTDGELWXYVTGFB-HXUWFJFHSA-N 437.500 4.353 5 20 IIBD O=C(Nc1nnc(-c2cc3ccccc3o2)s1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 470369822 QQLIQNOPGWTWMW-UHFFFAOYSA-N 432.421 4.298 5 20 IIBD Cc1ccc(SC[C@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 472253035 YWJXQDISPXQSDT-LAUBAEHRSA-N 441.553 4.113 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CN3CCC(O)(Cc4cccc(F)c4)CC3)cs2)c1 473064150 DZMKQOFNHQPBKC-UHFFFAOYSA-N 427.501 4.427 5 20 IIBD Cc1cc(-c2ncccc2NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cs1 474149530 ILDLVRCLVRZXBM-UHFFFAOYSA-N 436.493 4.156 5 20 IIBD CC(C)c1[nH]nc(C(=O)N[C@H](Cc2cccc(Br)c2)CC2CC2)c1[N+](=O)[O-] 479263512 NZXQIWDCSCDLAX-HNNXBMFYSA-N 435.322 4.345 5 20 IIBD COc1cc(C(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)cc([N+](=O)[O-])c1C 479619558 OGCZOLGXIVNSSB-UHFFFAOYSA-N 437.427 4.233 5 20 IIBD Cc1cccc(CN(Cc2ccccn2)S(=O)(=O)c2c([N+](=O)[O-])ccc(C)c2C)c1 480976789 FWPWIPGWPHOXEW-UHFFFAOYSA-N 425.510 4.306 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)cc1SC 483349957 KDVRGIAIUZRMKW-MRXNPFEDSA-N 428.470 4.305 5 20 IIBD COc1ccc([C@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)c2cccc(S(C)(=O)=O)c2)cc1 483811535 XKNAGUPTBXWGNL-MWTRTKDXSA-N 440.521 4.447 5 20 IIBD CC(C)[C@H]1OCCC[C@H]1CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 488002505 YJFHOSWPOMEBOZ-SGXKBVARSA-N 426.517 4.344 5 20 IIBD Cc1ccc([C@H](C)NC(=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)cc1[N+](=O)[O-] 488072130 UKQKMCMBNKZWCP-ZDUSSCGKSA-N 425.466 4.175 5 20 IIBD CSc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2cccc(C)c2C)cc1[N+](=O)[O-] 488248471 IXROSMOIVMWTJF-QGZVFWFLSA-N 431.539 4.087 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 488423762 YIKXFDAEMPREIQ-UHFFFAOYSA-N 437.543 4.036 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cccc(-c2noc(C(F)(F)F)n2)c1 490243390 IJMOSDQTLJANCJ-UHFFFAOYSA-N 431.330 4.257 5 20 IIBD C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 491344849 AVKVDZWYJFFXFC-RTBURBONSA-N 436.556 4.425 5 20 IIBD CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 499449980 ADFPOOOOPHHGOM-UHFFFAOYSA-N 431.905 4.190 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cc(Cl)ccc1N1CCSCC1 499513958 XKJRGWGPOSZCHH-UHFFFAOYSA-N 430.917 4.395 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1CSc1nc(CN2CCOCC2)nc2ccccc12 501147649 DGGHRVUGYJOLGT-UHFFFAOYSA-N 430.917 4.316 5 20 IIBD O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1 503454254 HCLFBXUVVQZHOS-LJQANCHMSA-N 434.564 4.238 5 20 IIBD COc1ccc(CSCC(=O)NCc2ccnc(OC3CCCCC3)c2)cc1[N+](=O)[O-] 503474939 KKXMAJBBKJSSTA-UHFFFAOYSA-N 445.541 4.260 5 20 IIBD O=C(NCc1cccc(OCc2ccccc2)c1)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 503558919 ZEYRDWQLWYRPGW-UHFFFAOYSA-N 431.452 4.050 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(CCO)Cc1ccc(Cl)c(Cl)c1 503608602 INOZHQTWOVTYPO-UHFFFAOYSA-N 426.300 4.033 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1)c1cccc([N+](=O)[O-])c1 504020218 JFDDKMCKVAODCC-SNVBAGLBSA-N 445.781 4.005 5 20 IIBD CNC(=O)c1ccc(N[C@@H](C)c2ccc(OCc3ccncc3)c(OC)c2)c([N+](=O)[O-])c1 506979662 UHCNCIYAQCXGPS-HNNXBMFYSA-N 436.468 4.110 5 20 IIBD O=C(Nc1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1I 508869426 HXPFYZVTIZCHIB-UHFFFAOYSA-N 436.127 4.471 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCc2ccccc21 509116500 BIHJRWMBNVHBKH-QGZVFWFLSA-N 436.249 4.267 5 20 IIBD O=C(N[C@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 509845110 VYFYWTVDCIONTC-HKUYNNGSSA-N 434.418 4.001 5 20 IIBD COc1ccc([C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c2ccc(F)cc2)cc1 511996260 GOZJEWBLZMUNOZ-OAQYLSRUSA-N 430.457 4.119 5 20 IIBD CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 513390502 QHQZUPFTEZDTBD-WBVHZDCISA-N 445.903 4.417 5 20 IIBD CC(C)C(=O)Nc1ccc(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 515282705 NEKJWWDRUHIOBO-UHFFFAOYSA-N 439.390 4.060 5 20 IIBD COc1cc2c(cc1Cl)CN(C(=O)C1CCN(c3ccccc3[N+](=O)[O-])CC1)CC2 515325237 QADXZKVHFVTRTI-UHFFFAOYSA-N 429.904 4.058 5 20 IIBD COCCN([C@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 519890935 WRRHDBFTQXLLLM-CQSZACIVSA-N 446.447 4.320 5 20 IIBD CCN(CC)C[C@H](C)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] 520564478 PXUHWIAQTRINSS-KRWDZBQOSA-N 434.562 4.155 5 20 IIBD Cc1cc(CNC(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)on1 522764775 CGTWNRRKVUXJRY-UHFFFAOYSA-N 434.811 4.475 5 20 IIBD COc1ccc(CSCC(=O)N2CCSC[C@@H]2c2ccc(C)cc2)cc1[N+](=O)[O-] 523847173 LGJNRJZKDYXGDQ-LJQANCHMSA-N 432.567 4.462 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Nc2cccc3c2CN([C@H](C)C(C)C)C3)c([N+](=O)[O-])c1 524323031 HQUGPBNMEKGHMW-HZPDHXFCSA-N 426.517 4.403 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(OCc3cccc(F)c3)cc2C)cc1[N+](=O)[O-] 524381431 CHNPEURXKVERQZ-UHFFFAOYSA-N 446.456 4.431 5 20 IIBD COc1cc(C(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)cc([N+](=O)[O-])c1OC 525575346 XJBZIIBUNJXCPI-UHFFFAOYSA-N 433.530 4.386 5 20 IIBD COc1ccc(NC(=O)CN2CCC[C@H]2c2ccc(Br)cc2)c([N+](=O)[O-])c1 532588409 BAUAJXREAHLCPV-KRWDZBQOSA-N 434.290 4.142 5 20 IIBD COc1ccc(C(=O)N[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)cc1[N+](=O)[O-] 532923898 DRGJPCVGWBTMRQ-IBGZPJMESA-N 448.401 4.439 5 20 IIBD Cc1cccc(OCCNC(=O)[C@H](C)SCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1 536302920 UHCKTKCQMFHKCY-INIZCTEOSA-N 441.509 4.375 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnn(S(=O)(=O)c3csc(-c4ccc(Cl)cc4)n3)c2)c1 537565419 MKNFVIBVUQVJCN-UHFFFAOYSA-N 446.897 4.472 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1 538539845 KRWFDSLUHRQBHW-ZWKOTPCHSA-N 428.432 4.369 5 20 IIBD O=C(N[C@H]1CCO[C@@]2(CCOC2)C1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 538901182 CVTYSUCNKWBXLW-BTYIYWSLSA-N 448.928 4.467 5 20 IIBD CCN(CCC1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1)CC(C)C 539135281 TTXRQRSVOSXIJN-UHFFFAOYSA-N 427.549 4.001 5 20 IIBD C[C@H](NC[C@H](O)COc1ccc(Cl)cc1Br)c1cccc([N+](=O)[O-])c1 539281261 SGAOSFYFEGSNQH-NHYWBVRUSA-N 429.698 4.101 5 20 IIBD CC(C)CO[C@H](C)c1noc(CN(C)Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 539829732 ZMEWNQQKMJLOKD-CQSZACIVSA-N 431.518 4.467 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2NC(=O)c2cccs2)c1 541801475 WWKFKMUZECBVGO-UHFFFAOYSA-N 431.495 4.326 5 20 IIBD CC(C)(C)Oc1ccc(-c2noc(CSc3ccc(C(N)=O)cc3[N+](=O)[O-])n2)cc1 544961697 RRXVULVKYABQQQ-UHFFFAOYSA-N 428.470 4.213 5 20 IIBD CCc1nc(COc2ccc(-c3nc(Cc4c[nH]c5ccc([N+](=O)[O-])cc45)no3)cc2)no1 545079361 NXMSZCLQVMHTOE-UHFFFAOYSA-N 446.423 4.241 5 20 IIBD Cc1ccc(-c2noc(C3CCN(C(=O)c4ccc(F)cc4F)CC3)n2)cc1[N+](=O)[O-] 545562260 TZDMLEMUEFLAGW-UHFFFAOYSA-N 428.395 4.251 5 20 IIBD CC1(C)C(=O)Nc2ccc(-c3nc(Cc4ccc([N+](=O)[O-])cc4Br)no3)cc21 546450161 BDEYIWUKKKEIMD-UHFFFAOYSA-N 443.257 4.228 5 20 IIBD COC(=O)c1ccc(Cl)c(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c1C 546643450 PNKLUERIVSIFIQ-UHFFFAOYSA-N 427.240 4.404 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCOC[C@H]2[C@H]2CCCCC2=O)cc1[N+](=O)[O-] 546837331 FJIYBPWWEMSHEK-MJGOQNOKSA-N 434.558 4.333 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)c(C)cc1Br 552760270 VYTCOAREIIGPOG-UHFFFAOYSA-N 439.287 4.427 5 20 IIBD COc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C2CC2)cc1 556506158 CEDAKOROGAPMLT-FQEVSTJZSA-N 425.485 4.107 5 20 IIBD C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N(C)CCc1ccccc1[N+](=O)[O-] 560720133 IPEPCJAMXSYBNL-AWEZNQCLSA-N 433.302 4.267 5 20 IIBD COc1cc(S(=O)(=O)N(Cc2ccccc2F)c2ccccc2F)ccc1[N+](=O)[O-] 568440399 YRYBBRYWHCARRG-UHFFFAOYSA-N 434.420 4.277 5 20 IIBD Cc1occc1C(=O)Nc1cc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)ccc1F 569643305 NJBPIAZQKAFEKZ-UHFFFAOYSA-N 433.342 4.347 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1c2cccc(Br)c2CC1(C)C 572385238 CFYQEENOLVBGTC-KRWDZBQOSA-N 446.301 4.044 5 20 IIBD Cc1cc(C(=O)N2CCC(C)CC2)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C 603983805 ZZYBMCPDWOIALR-UHFFFAOYSA-N 445.541 4.193 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCc3cc(Br)ccc32)c(Cl)c1 603985433 XITLECWTGDTOAT-UHFFFAOYSA-N 431.695 4.152 5 20 IIBD COc1cc(CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1OCC(F)(F)F 604076705 JIGGVZKIIORCFJ-LBPRGKRZSA-N 427.379 4.105 5 20 IIBD C[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1cccc([N+](=O)[O-])c1 604108711 LGQXPSZQVJYZGH-AWEZNQCLSA-N 443.456 4.026 5 20 IIBD COc1ccc([C@@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c2ccccc2)cc1 604433649 UIFNTIOHNYDACP-IBGZPJMESA-N 432.885 4.325 5 20 IIBD Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C1 609976589 YKGXOJMKNFPNCE-RDJZCZTQSA-N 437.525 4.201 5 20 IIBD CNc1ccc(C(=O)Nc2ccc(Oc3cccc(S(C)(=O)=O)c3)cc2)cc1[N+](=O)[O-] 609996028 KFZHUFGSUWFFKZ-UHFFFAOYSA-N 441.465 4.085 5 20 IIBD O=C(NCCCOCC1CCOCC1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 610143386 TWGGEHIHNUNIJC-UHFFFAOYSA-N 429.473 4.342 5 20 IIBD COc1ccc(Oc2ccc(NC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)cn2)cc1 610186240 KVBOMTGBHXNMLF-UHFFFAOYSA-N 431.408 4.229 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCc2cc(Cl)c(Cl)cc2[C@H]1C 610728953 XZWUFYXBIGMQQK-VXGBXAGGSA-N 436.295 4.166 5 20 IIBD CC(C)OCCNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 612633460 GPPTYUWQMWTVFL-UHFFFAOYSA-N 425.844 4.404 5 20 IIBD CC(C)c1nnc(COC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)o1 726992517 VGEOWEGRHZJNMM-UHFFFAOYSA-N 444.831 4.364 5 20 IIBD COc1ccc(Br)cc1CN(C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 728895678 CKVMOGKBHKCTGS-UHFFFAOYSA-N 431.290 4.319 5 20 IIBD C[C@@H](OC(=O)Cc1ccccc1Br)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 729731328 TXGGMDWIAHDOPJ-SNVBAGLBSA-N 441.665 4.124 5 20 IIBD O=C(COC(c1ccccc1)c1ccccc1)O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 731508195 NDVLHZSHMDIVMD-QFIPXVFZSA-N 446.459 4.050 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(-c3cccc(CN4CCCCC4)c3)no2)ccc1-n1ccnc1 731801462 GOBOFLKDHAFTFY-UHFFFAOYSA-N 430.468 4.483 5 20 IIBD O=C1CCC(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)=NN1Cc1ccc(F)cc1 731839796 NYXYOOYHWXEQPN-UHFFFAOYSA-N 438.459 4.188 5 20 IIBD CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 733250431 BUGSQRMXRKLDJT-UHFFFAOYSA-N 440.102 4.489 5 20 IIBD C[C@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)c1nc2cc(Br)cnc2[nH]1 735214714 TXVSYCQXSZMUMW-VIFPVBQESA-N 437.275 4.025 5 20 IIBD CN(c1ccc(OC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1)S(=O)(=O)c1ccccc1 735991303 PMXXOYCIHQUJJU-UHFFFAOYSA-N 446.868 4.293 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 737792182 IFSUMTMVLKOJTH-QFIPXVFZSA-N 433.464 4.221 5 20 IIBD Cn1c(SC[C@H]2CCN(C(=O)OC(C)(C)C)C2)nc2cc3ccccc3cc2c1=O 741853773 KEFHCHOFEQURPU-HNNXBMFYSA-N 425.554 4.436 5 20 IIBD C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 742626176 ULTIFEALUZFJKR-APWZRJJASA-N 446.548 4.033 5 20 IIBD O=C(Nc1ccc(-n2nccn2)cc1C(F)(F)F)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 744364094 ZLNURDJCKXQAIL-UHFFFAOYSA-N 445.279 4.465 5 20 IIBD CS(=O)(=O)c1cccc([C@@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)c1 744376317 YKIDJDWEGAIANE-FQEVSTJZSA-N 444.896 4.171 5 20 IIBD CCCn1c(=O)c2ccccc2n2c(SCc3cc(Cl)ccc3[N+](=O)[O-])nnc12 746390524 HYLPZBHIAJAIFV-UHFFFAOYSA-N 429.889 4.308 5 20 IIBD C[C@H](OC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 748907554 QSTPWNMMRJWBIO-ZDUSSCGKSA-N 432.392 4.122 5 20 IIBD CC(=O)N[C@@H](CC(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 749060580 YEDPQQWTOKLTLM-SJCJKPOMSA-N 435.274 4.229 5 20 IIBD CSc1cc2c(cc1NC(=O)c1cc([N+](=O)[O-])ccc1Br)OCCO2 751203016 TYMCCKPBSLKQPD-UHFFFAOYSA-N 425.260 4.103 5 20 IIBD CSCCNC(=S)/C(=C(/O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1ccc2c(c1)CCCC2 751538753 NEUJEPQXTOANAT-UHFFFAOYSA-O 444.602 4.233 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cccc(CN(C)Cc2ccccc2)c1 751790355 VZINWVOOLWOLFL-UHFFFAOYSA-N 447.491 4.331 5 20 IIBD C[C@@H]1CCN(C(=O)COC(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c2ccccc2S1 754991775 ZURJXGXQSCJOGS-LLVKDONJSA-N 438.864 4.462 5 20 IIBD COc1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1-c1ccccn1 755002209 BLYVGTFXTKLLJZ-OAHLLOKOSA-N 435.436 4.158 5 20 IIBD Cc1ccc(OC(=O)CCSCc2nc(O)c3c4c(sc3n2)CCC4)cc1[N+](=O)[O-] 755369369 WEUXNWQTCBGMFT-UHFFFAOYSA-N 445.522 4.331 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1F 760343904 ZYIZXAFEUCVYNU-OAHLLOKOSA-N 449.504 4.166 5 20 IIBD COc1cc(Br)ccc1C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760508607 RISFLGBOCYOKKU-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]32)cc1[N+](=O)[O-])c1ccccn1 762682259 OTBWZXCBBQFYPX-KGFWFAMKSA-N 444.582 4.272 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 763984904 YPFOVZWAZVCLBK-UHFFFAOYSA-N 435.234 4.462 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])c2cccnc12)Nc1ccc(SC(F)F)cc1 766221873 DVUNVSQRJNQDJZ-UHFFFAOYSA-N 433.392 4.253 5 20 IIBD C[C@@H](Cc1ccc(Br)cc1)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 766234987 AEVQCRUDDPXEQF-LBPRGKRZSA-N 436.258 4.146 5 20 IIBD CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1NC(=O)c1c([N+](=O)[O-])cnn1C 766873948 VEFJTUSWFLQTQU-SPYBWZPUSA-N 428.489 4.198 5 20 IIBD O=C(NCCn1cc([N+](=O)[O-])cn1)c1ccccc1Nc1ccc(SC(F)F)cc1 769380773 BENHLLNYKYEYMX-UHFFFAOYSA-N 433.440 4.280 5 20 IIBD CC[C@@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@@H]1NC(=O)OC(C)(C)C 769486618 UYJDXNGPROXISO-UZLBHIALSA-N 443.548 4.121 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@@H](c2nc(-c3ccc(Br)cc3F)no2)C1 771198956 ZGCWCKZYDVMRKU-OAHLLOKOSA-N 433.193 4.412 5 20 IIBD COc1cc(CONC(=O)Cc2cccc3ccccc23)c([N+](=O)[O-])cc1OCC(F)F 779953640 DORRPXUGNUIWIF-UHFFFAOYSA-N 446.406 4.191 5 20 IIBD O=C(COc1ccc(Oc2ccccn2)cc1)O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 780435199 AXTHGBPWPSLMRU-RBUKOAKNSA-N 438.440 4.085 5 20 IIBD O=C(Nc1ccc(CN2C(=O)CSC2=O)cc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 780529161 OBWWPXSGJAAHRW-UHFFFAOYSA-N 443.484 4.129 5 20 IIBD O=C(C[C@H](O)c1ccc(OCc2ccccc2)cc1)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 781001275 ZUFYAIXUUUMSHY-NRFANRHFSA-N 432.436 4.112 5 20 IIBD CCc1ccc([C@@H](C)NC(=O)[C@H](C)OC(=O)c2cccc([N+](=O)[O-])c2Br)cc1 781676718 WXQRWZCCEPWXCF-OLZOCXBDSA-N 449.301 4.342 5 20 IIBD CC1CCN(Cc2ccc(NC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)CC1 781684266 GETZXGSUZWODCD-UHFFFAOYSA-N 426.473 4.306 5 20 IIBD COc1ccc(-c2noc([C@@H](C)OC(=O)c3cc([N+](=O)[O-])ccc3Br)n2)cc1 783356059 NXIMOCYUVSAWIK-SNVBAGLBSA-N 448.229 4.334 5 20 IIBD COc1ccc(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c(OCc2ccccc2)c1 784172895 VLWWLRFRFMBFHE-QHCPKHFHSA-N 447.447 4.314 5 20 IIBD C[C@@H](NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 786998961 LLZCJGYBDJYDPO-QGZVFWFLSA-N 440.500 4.004 5 20 IIBD Cn1cc(C(=O)OCc2ccc(Cl)nc2C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 787662426 KRQHQZLSUGXSRP-UHFFFAOYSA-N 440.765 4.420 5 20 IIBD COC(=O)COc1ccc(CNc2ccc(N3CCCCC3)c(Cl)c2)cc1[N+](=O)[O-] 788969261 NQXDHXUCRSVCBE-UHFFFAOYSA-N 433.892 4.402 5 20 IIBD CC(C)([C@@H](OC(=O)[C@@H]1CCC(=O)c2cccn21)c1ccc(Br)cc1)[N+](=O)[O-] 789471379 HXEZOGGYUDHKLM-RDJZCZTQSA-N 435.274 4.108 5 20 IIBD Cc1cc(S(=O)(=O)Oc2ccc(-c3ncc4n3CCCC4)cc2)cc([N+](=O)[O-])c1F 790421843 HGFOKEAFPCYMNA-UHFFFAOYSA-N 431.445 4.010 5 20 IIBD CC1(c2ccc(Cl)cc2)CCN(Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)CC1 794647137 KVZOTIYEEYLNGS-UHFFFAOYSA-N 438.915 4.483 5 20 IIBD CCC(=O)Nc1ccc(C)c(NC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])c1 795254177 ZJAAZPHLNRPMEX-UHFFFAOYSA-N 449.305 4.089 5 20 IIBD CCCCOC(=O)c1c(F)cccc1OS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 795279385 HXYDDVJBNLSAQX-UHFFFAOYSA-N 448.428 4.007 5 20 IIBD CCc1[nH]nc(C(=O)OCc2csc(-c3ccc(Br)cc3)n2)c1[N+](=O)[O-] 795614224 PSECQAYASOPSME-UHFFFAOYSA-N 437.275 4.123 5 20 IIBD CCn1c(S)nnc1C1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 797435278 PNYLODHCGDYIDW-UHFFFAOYSA-N 428.493 4.080 5 20 IIBD O=C(Nc1ccc(F)cc1OCCC(F)(F)F)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 800356248 QKYUOSPIEXXVSC-KRWDZBQOSA-N 441.337 4.197 5 20 IIBD CCn1c(CSc2ccc(C)cc2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 801948392 YGBBZDTZUMRVIC-UHFFFAOYSA-N 438.557 4.134 5 20 IIBD O=[N+]([O-])c1ccc2oc(=S)n(CN3CCCC[C@@H]3c3nnc([C@H]4CCCO4)o3)c2c1 808238305 CASOEXHBFXHIHV-CZUORRHYSA-N 431.474 4.291 5 20 IIBD O=C(N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)C1(c2cccnc2)CCCC1 808354605 IJGUGFDHGAEYJD-UHFFFAOYSA-N 448.445 4.169 5 20 IIBD COc1ccc2cccc(Cc3noc(-c4cc([N+](=O)[O-])ccc4N4CCOCC4)n3)c2c1 809411634 HODPONWNBQDRQW-UHFFFAOYSA-N 446.463 4.234 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 811216938 OFBSFLRTYXZDGV-OAQYLSRUSA-N 447.513 4.409 5 20 IIBD C[C@@H](C(=O)OC[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)c1cccc([N+](=O)[O-])c1 813157667 OBXYUQYZRUPONS-HIFRSBDPSA-N 428.432 4.134 5 20 IIBD COc1cccc([C@H](CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])N2CCCC2)c1 813369594 OIDFUIKSRHEWJW-SFHVURJKSA-N 438.311 4.477 5 20 IIBD CSc1ccc(C(=O)O[C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] 816401171 PABKDWLKXUTYOI-UGSOOPFHSA-N 432.473 4.365 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC12CCC2 816853541 PWILMOKORRFHEK-INIZCTEOSA-N 442.516 4.057 5 20 IIBD CCOc1c(Br)cc(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)cc1OC 825487978 MSWAGDJCXQUTCO-UHFFFAOYSA-N 431.189 4.295 5 20 IIBD C[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 841974891 JCQAGNOBCFJPFI-PEXPKUBFSA-N 446.547 4.027 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@@H](C)c1ccc(Cl)cc1 857760839 QNSXQZKKDQBLIC-UGSOOPFHSA-N 436.917 4.404 5 20 IIBD Cc1sc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c(C(N)=O)c1-c1ccccc1 913193766 YFTMWJJDUYXUCH-UHFFFAOYSA-N 440.437 4.200 5 20 IIBD Cc1sc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c(C(N)=O)c1-c1ccccc1 913193767 YLXCBMMXVBTXEE-UHFFFAOYSA-N 440.437 4.200 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ccn(-c3ccccc3F)n2)cc1)c1cccc([N+](=O)[O-])c1 915131668 PFMNQVHZSIYFLP-UHFFFAOYSA-N 446.394 4.391 5 20 IIBD O=C1N[C@H](c2ccc(-c3ccccc3[N+](=O)[O-])s2)Nc2ccc(N3CCOCC3)cc21 917499258 ADTCLIWUXPNADN-OAQYLSRUSA-N 436.493 4.014 5 20 IIBD CC1CCN(c2ccc(C(=O)N(C)Cc3ccn(-c4ccccc4)n3)cc2[N+](=O)[O-])CC1 917767366 XYBQIZQIPLJNLO-UHFFFAOYSA-N 433.512 4.289 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)Cc1c[nH]c2ccccc12)c1cccc([N+](=O)[O-])c1 918637437 KVGXDAWPHIQSPS-IBGZPJMESA-N 435.480 4.247 5 20 IIBD O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1cc([N+](=O)[O-])ccc1N1CCCC1 919850724 AHKHWKDUPGIUEJ-UHFFFAOYSA-N 428.452 4.157 5 20 IIBD CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])s1 920317534 OXVXFXINEJGVAN-ZDUSSCGKSA-N 446.506 4.288 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2c2nnc([C@H](C)CN3CCC(C)CC3)o2)ccc1[N+](=O)[O-] 1117250679 LYLYTMGGPVXSIC-XLIONFOSSA-N 441.532 4.099 5 20 IIBD C[C@@H](OC(=O)c1cc2c(OC(F)(F)F)cccc2[nH]1)C(=O)Nc1ccccc1[N+](=O)[O-] 1317976695 IAQQSODCZNLQLZ-SNVBAGLBSA-N 437.330 4.159 5 20 IIBD O=C1C[C@H](c2nnc(-c3cccc([N+](=O)[O-])c3)o2)CN1Cc1cccc(C(F)(F)F)c1 1322282984 GEIHWNODTJKWMI-AWEZNQCLSA-N 432.358 4.180 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=CCCS1)c1cc2cc([N+](=O)[O-])ccc2s1 1793644285 DXZXQDKBIHCPSE-QDMKHBRRSA-N 443.550 4.082 5 20 IIBD CCCCC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cc([N+](=O)[O-])ccc1F 1794063546 PFHFAXJLSFPTFF-OQIJWPOYSA-N 433.524 4.131 5 20 IIBD C/C=C/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 1831365362 WXOSYBBHLDIAPA-RXPBTDQBSA-N 443.519 4.028 5 20 IIBD CC1(C)CCC(CC(=O)N2CC3(CCCN3C(=O)CCc3cccc([N+](=O)[O-])c3)C2)CC1 1841808743 QTPHNZTYSMOJIT-UHFFFAOYSA-N 441.572 4.337 5 20 IIBD C[C@H](CC(=O)N1CCCC12CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])C2)c1ccccc1 1846045615 YBNWDNHMQUIHTG-JXOMPUQVSA-N 433.508 4.005 5 20 IIBD O=C(COC(=O)CCc1ncc(-c2ccccc2F)o1)Nc1cc(Cl)ccc1[N+](=O)[O-] 12273211 SGJSAEJDACTTNB-UHFFFAOYSA-N 447.806 4.157 5 20 IIBD CCCn1c(/C(Cl)=C/c2ccc([N+](=O)[O-])cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 18065517 RQOCZMKNBGXMPO-ATVHPVEESA-N 448.932 4.342 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1 18185291 SJOSGNOBWTXKRD-UHFFFAOYSA-N 441.431 4.424 5 20 IIBD COCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1ccc(Cl)cc1[N+](=O)[O-] 25028485 UBQSHXHCCQYTTD-UHFFFAOYSA-N 448.781 4.310 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCSc1nnc(C2CC2)n1-c1ccccc1 26368934 DFYKMQQNWZUIOP-UHFFFAOYSA-N 439.497 4.182 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCSc1nnc(-c2cc(C)cc(C)c2)o1 26409112 LIFVCHBLQQCGSQ-UHFFFAOYSA-N 428.470 4.391 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCCc2ccc(OC)cc2)c([N+](=O)[O-])c1 29233360 FLKFRICYYIEBPA-UHFFFAOYSA-N 434.448 4.276 5 20 IIBD CN(CCCOc1cccc(Cl)c1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 65089946 QVLJSHUFKCJOGC-UHFFFAOYSA-N 428.876 4.190 5 20 IIBD COc1cc(C(=O)NCc2ccccc2CN(C)C2CCCCC2)c([N+](=O)[O-])cc1OC 72006069 IXFVVDJVRMIEFY-UHFFFAOYSA-N 441.528 4.307 5 20 IIBD COc1cc(C(=O)N[C@H](C)c2cc(C)oc2C)c([N+](=O)[O-])cc1OCc1cscn1 109285087 KOJKXMCEXJSZTH-GFCCVEGCSA-N 431.470 4.340 5 20 IIBD Cc1ccc(C(=O)Nc2cccc(-n3ncc(C(=O)O)c3C(F)(F)F)c2)cc1[N+](=O)[O-] 237651517 XHPHYGXXBYOHGY-UHFFFAOYSA-N 434.330 4.058 5 20 IIBD O=c1c(Cl)c(NC[C@H]2CCCO[C@@H]2c2ccccc2)cnn1-c1ccc([N+](=O)[O-])cc1 301189803 RAPYTVGKLGCDAL-IIBYNOLFSA-N 440.887 4.374 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)s1 302775992 OVUPPIUHBPCQCY-SNVBAGLBSA-N 436.342 4.057 5 20 IIBD Cc1nn(CCC(=O)N(CC(F)(F)F)c2ccc(Br)cc2)c(C)c1[N+](=O)[O-] 303750866 HUOVMWMJEBMWEC-UHFFFAOYSA-N 449.227 4.156 5 20 IIBD O=C(NCc1nc(CNc2ccc(Br)cc2[N+](=O)[O-])cs1)c1ccccc1 426883352 NTYHWACQDZEKFH-UHFFFAOYSA-N 447.314 4.356 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)Nc2ccc(CCN3CCSCC3)cc2)cc1[N+](=O)[O-] 429064816 OLXCZLJJWLVGNF-QGZVFWFLSA-N 428.558 4.377 5 20 IIBD Cc1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c(OC[C@@H]2CCCO2)c1 429848180 FGPZEZOYHTZKBV-AWEZNQCLSA-N 435.274 4.476 5 20 IIBD Cc1ccc([C@@H](C)N(C)C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc1 430324952 WGCVSARJBQCGNX-CYBMUJFWSA-N 434.290 4.132 5 20 IIBD Cc1c(Br)ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1F 432643764 QNPKQXNENLYKJC-UHFFFAOYSA-N 440.250 4.154 5 20 IIBD CC(C)(NC(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1)c1ccccc1[N+](=O)[O-] 433001169 HSGQQWQDNKFOCH-UHFFFAOYSA-N 441.879 4.158 5 20 IIBD C[C@@H](CN(C)c1ccc([N+](=O)[O-])c(N(C)C[C@H](C)c2nccs2)n1)c1nccs1 433770939 LEDQOLQFLKJHQO-KBPBESRZSA-N 432.575 4.383 5 20 IIBD C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 435997900 DPWPZJWQDBIQGE-HUUCEWRRSA-N 427.495 4.057 5 20 IIBD O=C(Nc1ccc(Cl)c(C(=O)NC2CC2)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437285385 AHIBNUZBRBXNAH-UHFFFAOYSA-N 427.766 4.412 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(Cc1csc(Br)c1)C1CC1 443734542 SNJYAUOTKNSTTJ-UHFFFAOYSA-N 431.333 4.081 5 20 IIBD Cc1ccc(CCN(Cc2ccco2)C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 446891958 FTIBYOAJFZGKRE-UHFFFAOYSA-N 433.468 4.327 5 20 IIBD CCN(C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)[C@@H](Cc1ccc(F)cc1)C(C)C 446895388 BTNFSWHTQTWHAY-FQEVSTJZSA-N 427.480 4.409 5 20 IIBD C[C@@H](c1c(F)cccc1F)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 447015264 XBSUVGXBARZMBE-VIFPVBQESA-N 435.246 4.017 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CCOc1cccc(I)c1 447318222 QRJWKEZDZSFLRL-UHFFFAOYSA-N 440.237 4.224 5 20 IIBD O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1ccnc(Oc2ccc(F)cc2F)c1 448103442 SGFKAJUPPUPQJV-UHFFFAOYSA-N 438.350 4.098 5 20 IIBD CC(C)OCc1nc([C@H](C)NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)no1 461390214 QYEOLQWFMDJSNB-HNNXBMFYSA-N 439.472 4.006 5 20 IIBD O=C(CCc1ncccn1)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 462122879 VURPDEANNDKBMI-UHFFFAOYSA-N 430.823 4.219 5 20 IIBD O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 463216884 ZAPSCVKQZJLXGY-UHFFFAOYSA-N 449.389 4.105 5 20 IIBD O=C(NCc1cc(Br)cc2c1OCC2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 463260063 UQVMYVHLRJOLKI-UHFFFAOYSA-N 446.301 4.166 5 20 IIBD Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 464054116 UISQLCMGLXKRCN-FUHWJXTLSA-N 429.904 4.081 5 20 IIBD Cc1sc(NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)nc1-c1ccc(F)cc1 465076159 CDMKAKCFCABRAW-UHFFFAOYSA-N 429.429 4.118 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2ccccc2NC(C)(C)C)cc1[N+](=O)[O-] 466442638 XXDYBYGUQBNACC-UHFFFAOYSA-N 426.502 4.337 5 20 IIBD C[C@@H](CNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])CN1CCOCC1 467789108 QPLJGGPEHPJRFR-HNNXBMFYSA-N 449.960 4.098 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 470902826 ZGWOUOFSAGBDIW-UHFFFAOYSA-N 431.404 4.046 5 20 IIBD CC[C@H](C)n1c(SCC(=O)Nc2ccc([N+](=O)[O-])c(C)n2)nnc1-c1ccccc1 475317385 CRDGVCCXZWOUJJ-ZDUSSCGKSA-N 426.502 4.259 5 20 IIBD COc1cc(C(=O)NC(C)(C)c2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])cc1OC 475770203 LLYJSWIHVLDPHQ-UHFFFAOYSA-N 428.363 4.176 5 20 IIBD O=C1[C@@H](Nc2cc(Br)ccc2N2CCCC2)CCN1c1cccc([N+](=O)[O-])c1 477551415 KKJBVQRWFCCTBF-KRWDZBQOSA-N 445.317 4.175 5 20 IIBD COC(=O)c1csc(-c2cccc(CNc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)c2)n1 477810336 LTGPEYXTPLFZSL-UHFFFAOYSA-N 438.465 4.002 5 20 IIBD C[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)c1nc(-c2ccc(Br)cc2)cs1 478499205 DDTPHZFLLOBROF-SNVBAGLBSA-N 435.303 4.310 5 20 IIBD CC(=O)N[C@@H](C)C1CCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 478695466 DNHJTORGEOSOEZ-INIZCTEOSA-N 441.553 4.431 5 20 IIBD CCc1c(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cnn1-c1cccc(Cl)c1 480193912 HRZBRWVEBKPSLE-UHFFFAOYSA-N 441.296 4.451 5 20 IIBD Cc1cc(C(=O)N2CCC(C)CC2)ccc1NS(=O)(=O)c1c([N+](=O)[O-])ccc(C)c1C 481595924 JOSVHGSSMSVGLR-UHFFFAOYSA-N 445.541 4.193 5 20 IIBD CCc1c(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)cnn1-c1ccccc1Cl 482700112 VXVWLDQJALQYOG-UHFFFAOYSA-N 428.832 4.035 5 20 IIBD O=C(Nc1ccc(CCN2CCSCC2)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 483046752 XLPCNVIQJKZFNY-UHFFFAOYSA-N 440.569 4.383 5 20 IIBD C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 485774341 RLZJVNGWELSDIS-SNVBAGLBSA-N 429.782 4.425 5 20 IIBD O=C(c1cnn(-c2ccc(Br)cc2)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 486072492 XDZPEGJEKSXYRY-UHFFFAOYSA-N 441.285 4.348 5 20 IIBD O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 486087399 JXVAXUIKGLTLPZ-CVDCTZTESA-N 435.524 4.263 5 20 IIBD O=C(Nc1cccc2cc(Br)cnc12)N1CCc2ccc([N+](=O)[O-])cc2C1 486841306 YZIHOKCMAVLOBA-UHFFFAOYSA-N 427.258 4.496 5 20 IIBD COc1c(F)cc(S(=O)(=O)N(Cc2ccc(C)o2)c2ccc(F)cc2)cc1[N+](=O)[O-] 488281410 IPVSKJDFFVVJCE-UHFFFAOYSA-N 438.408 4.179 5 20 IIBD COc1cc(N[C@@H]2CCCN(C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2)cc(OC)c1 494447099 QDBFBDMGTMHCQQ-SJLPKXTDSA-N 442.516 4.268 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 498313891 MNDXTKDGLQCTMZ-VWLOTQADSA-N 430.508 4.271 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCc2c(ncn2-c2ccc(F)cc2)C1 498781923 SMAWLJDHGGXPDI-UHFFFAOYSA-N 434.349 4.137 5 20 IIBD O=C(NC1(Cc2ccc(F)cc2)CCOCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 499187155 ILOJMJPKEQYNTG-UHFFFAOYSA-N 430.479 4.342 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 500970553 YPLPFVIKRWKNNX-KRWDZBQOSA-N 429.860 4.399 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N(Cc1ccc(F)cc1)c1nc2ccccc2s1 501763439 OISRPFFDOUUWBS-UHFFFAOYSA-N 439.472 4.472 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCCCC[C@@H]2c2noc(-c3ccccc3)n2)c([N+](=O)[O-])c1 502013123 YQFANXQJQSDJOM-QGZVFWFLSA-N 442.497 4.259 5 20 IIBD O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 503973325 PKQGTSMDDPDFOH-CYBMUJFWSA-N 443.301 4.095 5 20 IIBD CN(C(=O)CN[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 505829980 DJXWEMDJVVYVPI-MRXNPFEDSA-N 435.324 4.470 5 20 IIBD Cc1cccc(C)c1NC(=O)CN1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 506008668 DLJZXHMHRGPSJY-UHFFFAOYSA-N 448.523 4.228 5 20 IIBD Cc1nc2sccn2c(=O)c1CCSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 507097858 KQQHMJBCPPQVMQ-UHFFFAOYSA-N 428.495 4.104 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C 511802558 PXKGVVUJWFMWSF-UTKZUKDTSA-N 427.570 4.492 5 20 IIBD O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 516352736 CRHXEWFECMTXOX-UHFFFAOYSA-N 449.345 4.090 5 20 IIBD COc1ccc(F)cc1-c1csc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)n1 520100620 BOLFBGLFSMZMKS-UHFFFAOYSA-N 426.429 4.459 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@H](c1cccc(Cl)c1)N1CCCC1 520976393 LMBAZOPATVVXTA-OAQYLSRUSA-N 426.904 4.156 5 20 IIBD COc1ccccc1Oc1ccc(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1F 521601898 MCJLBKGZIMWIJB-UHFFFAOYSA-N 436.392 4.475 5 20 IIBD Cc1sc(C(=O)O)cc1S(=O)(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 522694062 XHIAPQCHOJKENC-UHFFFAOYSA-N 434.451 4.256 5 20 IIBD Cc1ccc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] 523714000 YWPSVIZWALEUIX-QFBILLFUSA-N 435.402 4.470 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCC[C@@H]1c1ccncc1 524049781 XVCBNBMSZPNDRH-QGZVFWFLSA-N 432.267 4.460 5 20 IIBD COc1cc(OCC(=O)Nc2cccc(-c3nc4ccccc4n3C)c2)ccc1[N+](=O)[O-] 525749199 QDESTDMAOZIHCQ-UHFFFAOYSA-N 432.436 4.175 5 20 IIBD O=C(Nc1ncccc1OCc1cccc(Cl)c1)c1cc([N+](=O)[O-])cc2c1OCCO2 530594596 FPRFGCIPEOLVBC-UHFFFAOYSA-N 441.827 4.246 5 20 IIBD CCOc1ccccc1Oc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 531370028 FWSSZLJKTZVVTD-UHFFFAOYSA-N 448.479 4.143 5 20 IIBD Cc1c(C(=O)N(CCc2ccc(F)cc2)C2CCCC2)nnn1-c1cccc([N+](=O)[O-])c1 531794508 UWHMGEOTZXKTKU-UHFFFAOYSA-N 437.475 4.251 5 20 IIBD COc1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3n2C)c([N+](=O)[O-])cc1OC(F)F 531831371 GXJNTSRHGLRCPV-OAHLLOKOSA-N 446.410 4.069 5 20 IIBD CSc1ccccc1NC(=O)CN(C)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 533329161 FFUXADCDAVCRAZ-UHFFFAOYSA-N 427.404 4.046 5 20 IIBD Cc1ccc(C(=O)N[C@H](CC(=O)NCCc2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 533992764 RKOMUTPYYRBYSG-HSZRJFAPSA-N 431.492 4.123 5 20 IIBD CC(C)CSCCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 535240450 VFCSNVXJDCBVCH-UHFFFAOYSA-N 439.584 4.251 5 20 IIBD COc1ccc(CNC(=O)c2[nH]c(-c3cccc(C(F)(F)F)c3)nc2C)cc1[N+](=O)[O-] 535998772 JIJQFBRQXACZJB-UHFFFAOYSA-N 434.374 4.251 5 20 IIBD O=C(COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cc2c(cc1Cl)OCCCO2 536468911 VDWBDMCPCGWZAD-UHFFFAOYSA-N 446.765 4.446 5 20 IIBD O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 538870515 KQOBNNWXUNCCDL-KRWDZBQOSA-N 431.448 4.202 5 20 IIBD Cc1c(NC(=O)CCN[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cccc1[N+](=O)[O-] 539286727 JERBOBWALRRHLL-QGZVFWFLSA-N 447.495 4.230 5 20 IIBD COc1ccc([C@H](C)NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1Br 540370136 IBIYLHKUZXYDJH-NSHDSACASA-N 433.262 4.267 5 20 IIBD O=C(N[C@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1O)c1ccccc1)c1ccccc1 540880934 NHYPQGGFVVDPKN-SFHVURJKSA-N 425.828 4.064 5 20 IIBD O=C(NC1CCC(c2ccc(F)cc2)CC1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 541003338 IVLWKPVKGYIVPI-VJFUWPCTSA-N 445.516 4.243 5 20 IIBD O=C(NC[C@@H](O)COc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 541728434 ZESICPOJZSRFSE-GOSISDBHSA-N 448.516 4.186 5 20 IIBD COC(=O)Cc1sc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)nc1-c1ccccc1 542542266 RZUGNOAMRVOOCR-GFCCVEGCSA-N 443.456 4.315 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CN3CCO[C@H](c4ccc(C(F)(F)F)cc4)C3)n2)cc1 542947715 HNSSCGRBTSDZHT-KRWDZBQOSA-N 434.374 4.237 5 20 IIBD C[C@H](C[S@](C)=O)NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 543368197 ZBWVSYZFVYZIDI-ARIVMYAQSA-N 443.550 4.018 5 20 IIBD CCc1ccc([C@H](NC[C@@H](O)COc2ccc(F)c(F)c2)c2ccc([N+](=O)[O-])cc2)o1 544361158 YEIONNRPKLFNME-OPAMFIHVSA-N 432.423 4.147 5 20 IIBD CC(C)(C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1)c1ccc([N+](=O)[O-])cc1F 545830421 WHZFLJOVASMVDM-UHFFFAOYSA-N 432.839 4.074 5 20 IIBD O=[N+]([O-])c1ccc(C(F)(F)c2nc(Cc3ccn(-c4c(F)cccc4F)n3)no2)cc1 546545218 IMMVCOGSPVXDMF-UHFFFAOYSA-N 433.321 4.173 5 20 IIBD CN(CCc1nccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1ccccc1 549184107 LUZVXPLXYYUZDX-UHFFFAOYSA-N 434.525 4.231 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N(CCc1ccccn1)Cc1ccncc1 549847398 QEKWEEXGYJQNSJ-UHFFFAOYSA-N 448.526 4.216 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 553034160 YPCCETJNAJHPTB-LMMKCTJWSA-N 431.286 4.002 5 20 IIBD COc1ccc(Cl)cc1C[C@@H]1CCCN(c2nc(O)c3cc([N+](=O)[O-])ccc3n2)C1 553080539 NPLMPVMTYQIATL-ZDUSSCGKSA-N 428.876 4.365 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)cc(I)c2)c1 553234077 VJNGWRMAGLSIPO-UHFFFAOYSA-N 426.210 4.159 5 20 IIBD CC(=O)c1cc([N+](=O)[O-])ccc1OC[C@H](O)COc1ccc(Cl)cc1Br 556026596 HJBVPRRCEMBACW-ZDUSSCGKSA-N 444.665 4.032 5 20 IIBD CN(CC(=O)NC(c1ccccc1)c1ccccc1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 557866973 SGASMTDZWRAHRP-UHFFFAOYSA-N 442.475 4.054 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](NCc1ccccc1)c1ccco1 561083674 GIWBLCMCCHTAFE-JXFKEZNVSA-N 425.510 4.316 5 20 IIBD CC(C)(C)C1CCC(O)(CNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)CC1 561893414 KGGFQKSBVWNASK-UHFFFAOYSA-N 434.924 4.173 5 20 IIBD C[C@@H](c1cccc([N+](=O)[O-])c1)c1nc(-c2cc(C(F)(F)F)ccc2-n2cncn2)no1 565567896 VIMJHDDTGHIJOU-NSHDSACASA-N 430.346 4.396 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)c1 568903540 RXJKAVVDNCASIA-UHFFFAOYSA-N 426.256 4.011 5 20 IIBD CCOc1cc(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])ccc1OCc1cccnc1 569483054 AOQUBZASTSKNDA-UHFFFAOYSA-N 435.480 4.282 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1NS(=O)(=O)c1ccccc1 572818931 LLQZHARNGHQMPF-INIZCTEOSA-N 439.493 4.446 5 20 IIBD CSc1cccc(C(=O)N[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)c1[N+](=O)[O-] 573880278 DYEVTYZYCMXAJG-LJQANCHMSA-N 440.443 4.467 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H](OC2CCOCC2)c2ccccc2)c1 574416264 MBDSDWMEYFNPJQ-ZHRRBRCNSA-N 428.485 4.049 5 20 IIBD Cc1ccc2snc(C(=O)N[C@H](CC(=O)OC(C)C)c3ccccc3[N+](=O)[O-])c2c1 582253985 HYFCOQFVCUKZFG-MRXNPFEDSA-N 427.482 4.326 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(Cc1ccc(F)cc1Cl)CC1CC1 586866645 VUMBOGILFCWLDR-KRWDZBQOSA-N 437.903 4.059 5 20 IIBD CNC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)c1C 603624441 VMWJLXBKHNQARL-UHFFFAOYSA-N 435.436 4.316 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCc3ccc(O)cc3)c([N+](=O)[O-])c2)c(C)c1 603845891 PEDHOWVWCFLRRQ-UHFFFAOYSA-N 427.482 4.330 5 20 IIBD Cc1ccc(CNC(=O)c2cccc(CNc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)c2)cc1 603861044 KZMHWNPSWYHQBE-UHFFFAOYSA-N 444.491 4.330 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1cccnc1)c1ccc(Br)cc1 603990264 KXYALDCUCGHECB-UHFFFAOYSA-N 442.269 4.365 5 20 IIBD CCOc1cc(Br)c(CC(=O)NCc2cccc([N+](=O)[O-])c2)cc1OCC 604470693 RAGGZWYBTWBAQC-UHFFFAOYSA-N 437.290 4.014 5 20 IIBD O=C(Nc1ccnn1[C@@H]1CCCc2ccccc21)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 604567510 KMEXLBXYSJGRNY-LJQANCHMSA-N 428.452 4.155 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)cc1OC 609021681 ILZDEGIXPBUGEJ-UHFFFAOYSA-N 434.861 4.426 5 20 IIBD O=C(NCC(=O)N1CCCc2ccccc21)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609780773 BIBCSFBGWQMBKJ-UHFFFAOYSA-N 446.463 4.488 5 20 IIBD O=C(Nc1ccccc1Oc1ccccc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 610140865 QHHBFHBXGAYKPA-UHFFFAOYSA-N 446.463 4.377 5 20 IIBD COC(=O)[C@@H](NC(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1)c1ccccn1 610299891 VIMJNODXZVBHOA-FQEVSTJZSA-N 437.477 4.094 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(N2CC=C(c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 612113070 BATXIDCLEUKWIP-UHFFFAOYSA-N 433.505 4.058 5 20 IIBD CC(C)OCCN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 612599669 LULZNCBKOKAOOA-SFHVURJKSA-N 436.306 4.052 5 20 IIBD CC(C)[C@@H](OC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C(N)=O 725918288 HJYDPGHQJISCLQ-WLEBTQASSA-N 439.493 4.188 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)OCc2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] 726673690 FDRBLDXFLYGWOJ-SFHVURJKSA-N 436.386 4.270 5 20 IIBD O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccc(CC[C@@H](O)c2ccccc2)cc1 727361307 UHCCAARPOZQVQW-HXUWFJFHSA-N 430.457 4.201 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CC[C@@H](CSc2ccccc2)C1 742424651 QJEFQPONPIKRII-CYBMUJFWSA-N 428.482 4.210 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)CC1 742789800 CFPHNQBHVMCJBI-JOCHJYFZSA-N 436.556 4.178 5 20 IIBD CC(C)(CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)NC(=O)OC(C)(C)C 744669043 QVIIRHQFFBRQAI-UHFFFAOYSA-N 442.516 4.240 5 20 IIBD Cc1c(F)cccc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 746040559 YYTJANUAZUVZCF-UHFFFAOYSA-N 426.370 4.415 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)N[C@H](C)c1ccc(F)cc1 747120075 WYFNSXZQXHMABV-GHMZBOCLSA-N 428.338 4.175 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)NCc1ccccc1Cl 747125757 PYGGMMQACSPWNU-JTQLQIEISA-N 430.766 4.129 5 20 IIBD COC(=O)c1oc2ccccc2c1COC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 748954042 CWMIOWLDRUUSSM-UHFFFAOYSA-N 428.353 4.010 5 20 IIBD Cc1nn(CN(C)CC2(c3ccc(Br)cc3)CC2)c2ncc([N+](=O)[O-])cc12 749954731 OZUIDKVPODKWLH-UHFFFAOYSA-N 430.306 4.032 5 20 IIBD CN(C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Br)[C@H]1CCCc2ccccc21 751093828 JROFQJVMBRKOHY-SFHVURJKSA-N 447.285 4.050 5 20 IIBD O=C(Cc1coc2ccc3ccccc3c12)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 752773057 IAQGEJMSQIGCCF-UHFFFAOYSA-N 430.416 4.169 5 20 IIBD Cc1csc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1Br 753652254 PVFPTSZBHGHJHM-UHFFFAOYSA-N 433.667 4.176 5 20 IIBD COc1ccccc1[C@@H](Nc1ncc([N+](=O)[O-])c(C)c1Br)c1nccn1C 754007959 CLOOBNBLNRZYDN-MRXNPFEDSA-N 432.278 4.004 5 20 IIBD CCOC(=O)CN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@@H](C)c1ccccc1 754393065 UJJZRZGCRBCXOA-ZDUSSCGKSA-N 435.274 4.124 5 20 IIBD O=C(Nc1ccnn1CCc1ccccc1)c1cc(F)cc([N+](=O)[O-])c1Br 754634393 DUEIKYPSBWXMHW-UHFFFAOYSA-N 433.237 4.188 5 20 IIBD C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)Oc1ccccc1Cl 755011816 LBFGBYMOCOCQDM-VIFPVBQESA-N 431.645 4.347 5 20 IIBD Cc1cc(C(=O)COC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c(C)n1-c1nccs1 755060623 DVSAYXXDHAKCJU-GFCCVEGCSA-N 431.445 4.128 5 20 IIBD O=C(O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 756353667 NVKSSSYPZZHFRX-SFHVURJKSA-N 427.438 4.017 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(-c3nc(-c4ccc(-n5ccnc5)nc4)no3)cc2[N+](=O)[O-])C1 761469433 BQVRUQXQHHBNLC-IYBDPMFKSA-N 445.483 4.375 5 20 IIBD CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 763874159 BKBOFNQNCXOPOK-HOTGVXAUSA-N 436.468 4.478 5 20 IIBD C[C@H](OC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1cccc(Br)c1 764344118 DQAWKDIVOKPWDL-LBPRGKRZSA-N 449.257 4.350 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 765522505 PLVDVDIUNKCORS-DZGCQCFKSA-N 440.412 4.426 5 20 IIBD O=C(Nc1ccc(N2CCCC2)cc1)c1cc(I)cc([N+](=O)[O-])c1 765572113 MWDGXPPPPDNBLI-UHFFFAOYSA-N 437.237 4.052 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)N1CCC[C@@H]1c1cccs1 766231103 LGCDESPDORFULX-SUMWQHHRSA-N 425.466 4.114 5 20 IIBD Cc1cn(-c2ccccc2Cl)nc1C(=O)O[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 767066396 WAIACJRRHYJXOE-GFCCVEGCSA-N 446.822 4.065 5 20 IIBD Cc1ccc(F)c(OCC(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 767530258 SPOVSPIWUVGPNX-NSHDSACASA-N 444.337 4.010 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)cc([N+](=O)[O-])c1F 768266535 SACGTLRINWJNDV-UHFFFAOYSA-N 449.504 4.248 5 20 IIBD CCOC(=O)/C(=C/c1ccc([N+](=O)[O-])c(OC)c1)c1nc(O)c2c(C)c(C)sc2n1 770565671 IGFHTGQVSNZTSA-MDWZMJQESA-N 429.454 4.034 5 20 IIBD O=C1C[C@H](C(=O)N2CCCC[C@H]2c2ccc(F)cc2F)CN1c1ccc(F)c([N+](=O)[O-])c1 770693986 VMXMUPBWJDRTBE-DJJJIMSYSA-N 447.413 4.119 5 20 IIBD COc1ccc2nc(Cl)c(C(=O)OCc3nc(-c4ccc([N+](=O)[O-])cc4)no3)cc2c1 775016088 VVJNXQAGRSCNDF-UHFFFAOYSA-N 440.799 4.212 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1sc(N2CCCC2)nc1Cl 775886368 JBASFCQWFYHNKL-UHFFFAOYSA-N 434.861 4.317 5 20 IIBD O=C(O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1ccc(CN2CCCC2=O)cc1 776132064 HWBLESHNJWQTIY-HSZRJFAPSA-N 431.448 4.059 5 20 IIBD O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1cc([N+](=O)[O-])ccc1OC(F)F 778557015 LSWLDJGYUGYZEL-UHFFFAOYSA-N 425.775 4.229 5 20 IIBD O=C(CSCc1coc(-c2ccccc2)n1)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 778788617 MJGFSATUBINIIO-FQEVSTJZSA-N 439.493 4.305 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)c1ccc(NC(=O)c2cnoc2C)cc1O 778807009 IKOAMFPYMBGHIF-GFCCVEGCSA-N 425.397 4.076 5 20 IIBD Cc1cc(Br)ccc1CC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 778902898 PAHJQTIVLPAFPB-UHFFFAOYSA-N 441.665 4.044 5 20 IIBD Nc1ccc([N+](=O)[O-])cc1-c1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cs1 780934684 YTOUJYQDKVQQEV-UHFFFAOYSA-N 444.538 4.142 5 20 IIBD Cc1ccc(-n2cnnc2SCC(=O)OCc2ccc([N+](=O)[O-])c(F)c2)cc1Cl 782267693 HVSOAYDRMADSAS-UHFFFAOYSA-N 436.852 4.112 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)C(F)(F)F 787134464 XZTASNREAZRXNI-GOSISDBHSA-N 433.390 4.013 5 20 IIBD O=C(COC(=O)c1cc(C(F)(F)F)cnc1Cl)Nc1ccc(Cl)cc1[N+](=O)[O-] 789021817 IZGUPHYIQQFXOD-UHFFFAOYSA-N 438.145 4.111 5 20 IIBD Cc1cccc(NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C(=O)NCCc1ccccc1 789669541 ZGZIYPOLGFPFBB-UHFFFAOYSA-N 434.452 4.396 5 20 IIBD C[C@@H](CCc1ccc(O)cc1)NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 790667404 LRTHQIWRJYXBNH-ZDUSSCGKSA-N 448.317 4.152 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1nc2ccccc2nc1N1CCCC1 790706387 DFORZDJUIMSCNA-UHFFFAOYSA-N 429.839 4.112 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)CC1 792330796 IZBDGWRPIXEXAC-UHFFFAOYSA-N 446.548 4.037 5 20 IIBD Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)OCc3c(F)cc([N+](=O)[O-])cc3F)C2)c1 803288864 GYCFMVHYYASTKQ-OAHLLOKOSA-N 432.423 4.085 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)O[C@H](C)c1ccc(S[C@H]2CCCCNC2=O)cc1 809045971 JSUMDKLNHNSSQV-VLIAUNLRSA-N 444.509 4.282 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 809811094 XYADZZJKDNSEJH-UHFFFAOYSA-N 448.284 4.409 5 20 IIBD O=C(O[C@@H]1CCN(c2c(F)cccc2F)C1=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811373694 KMGKDAONAKORKM-CYBMUJFWSA-N 431.178 4.142 5 20 IIBD Cc1cc(C(=O)NC2CCN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC2)c(C)o1 812966759 LEEMZJWCJZQYLD-UHFFFAOYSA-N 440.283 4.146 5 20 IIBD CC(C)(C)OC(=O)NCc1nnc(SCc2cc([N+](=O)[O-])ccc2C(F)(F)F)o1 814761609 QZTZCOOGPUHVNT-UHFFFAOYSA-N 434.396 4.314 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(C(F)(F)F)nc2Cl)c1[N+](=O)[O-] 815050392 YPAKLQWFNINBDA-JTQLQIEISA-N 437.827 4.318 5 20 IIBD COc1ccccc1NC(=O)[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C(C)C 815512431 VKXMMDAIFLNIGL-QGZVFWFLSA-N 440.374 4.442 5 20 IIBD COc1ccc(CN(C(=O)c2cc([N+](=O)[O-])c3nsnc3c2)[C@@H](C)C2CC2)c(OC)c1 820001740 APPSEYQCBJQTJK-LBPRGKRZSA-N 442.497 4.058 5 20 IIBD CC(=O)N(c1ccccc1)c1nc(/C=C2/N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cs1 912754406 BTFLQUYMKDXYGY-WOJGMQOQSA-N 434.433 4.080 5 20 IIBD O=[N+]([O-])c1cccc(-c2nccc(/C=C/c3cnn(Cc4ccccc4Cl)c3)[n+]2[O-])c1 915988397 VMTFNLMZJDDITJ-CMDGGOBGSA-N 433.855 4.359 5 20 IIBD COc1c(Cl)cccc1NC(=O)c1cc([N+](=O)[O-])ccc1I 919867728 NLYVAMXIAVUGLW-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD COc1ccc2[nH]cc(C3CCN(c4ccc([N+](=O)[O-])cc4C(=O)NC4CC4)CC3)c2c1 919964410 IQTCJBYQEGAWMA-UHFFFAOYSA-N 434.496 4.361 5 20 IIBD C[C@H](Cn1ccnc1)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 920472502 AGHTYVRVDVDTSD-LJQANCHMSA-N 447.539 4.069 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c2c(C(C)C)noc2n1 920897113 UUUJQKUDCQUQOE-UHFFFAOYSA-N 432.820 4.012 5 20 IIBD COc1c([N+](=O)[O-])cc(NCc2ccc(-n3ccnc3)cc2)c([N+](=O)[O-])c1Br 921190178 YNLIGSPLUVHBMJ-UHFFFAOYSA-N 448.233 4.072 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CC(C3CC3)C3CC3)cc2)cc1[N+](=O)[O-] 1317992836 WAEMRKJHHOOMOW-UHFFFAOYSA-N 443.525 4.469 5 20 IIBD CCOC(=O)c1ccn(-c2cccc(NC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])c2)n1 1324188444 GCKFOJZHSSVTHN-UHFFFAOYSA-N 437.456 4.014 5 20 IIBD C[C@@H](NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)c1ccc(NC(=O)c2ccncc2)cc1 1330236872 OBEPXIGILQKGHY-OAHLLOKOSA-N 431.452 4.029 5 20 IIBD CCN(Cc1ccccc1F)C(=O)c1cc([N+](=O)[O-])ccc1I 1337644207 MFRMGWRYTFTEIT-UHFFFAOYSA-N 428.201 4.001 5 20 IIBD O=C(c1cnn(-c2ncccc2Cl)c1C(F)(F)F)N1Cc2ccc([N+](=O)[O-])cc2C1 1339546799 XGYSSXDCIKMSJH-UHFFFAOYSA-N 437.765 4.004 5 20 IIBD Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4nc[nH]c4[N+](=O)[O-])cc3)CCC2)c1 1788610761 LNWYHLDKKYOUDM-UHFFFAOYSA-N 447.495 4.007 5 20 IIBD COc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cc[nH]c4C)CCC3)cc2)ccc1[N+](=O)[O-] 1792164732 SOVKUXUIQFUWTP-UHFFFAOYSA-N 448.479 4.301 5 20 IIBD O=C(/C=C/C1CCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CSc1ccccc1[N+](=O)[O-] 1802183532 JKQAFQHZRKUYOP-UNGCYLFBSA-N 443.569 4.072 5 20 IIBD Cc1csc(C(=O)N2CCCC3(CCN(C(=O)/C=C/c4ccc([N+](=O)[O-])o4)CC3)C2)c1 1806239954 KLPLGNZXTVHZKV-HWKANZROSA-N 443.525 4.116 5 20 IIBD CCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2F)n[nH]1 1821053333 WTALFGOVWPGMBG-KRWDZBQOSA-N 431.468 4.199 5 20 IIBD CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)cc1 1830075304 WJDSPYNWBJETMD-NRFANRHFSA-N 438.528 4.032 5 20 IIBD O=C(C1CC1)N1CCC([C@@H]2CCCCN2C(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)CC1 1830294498 BVGWVIOTKZVXJC-QFIPXVFZSA-N 439.556 4.046 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CC2(CCCN2C(=O)C[C@@H](C)c2ccccc2)C1 1846044237 VXWPAJOZASBPRI-MRXNPFEDSA-N 439.487 4.053 5 20 IIBD Cc1ccc(CCC(=O)N2CCCC23CN(C(=O)c2ccc([N+](=O)[O-])o2)C3)c2ccccc12 1847153045 UCXOTJQZMZVOMS-UHFFFAOYSA-N 447.491 4.099 5 20 IIBD CC(C)Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CCc2cccc([N+](=O)[O-])c2)cc1 1847994879 CSUMJPXRZGMZEE-ZEQRLZLVSA-N 449.551 4.242 5 20 IIBD CC[C@H]1CCCCN1C(=O)COC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 5972770 ATEAZZHLBVDQCL-IBGZPJMESA-N 425.485 4.155 5 20 IIBD O=C(COC(=O)CSCc1cccc(Cl)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 10147676 MMWQFCPYQQXJRZ-UHFFFAOYSA-N 429.281 4.317 5 20 IIBD CCOc1ccc(NC(=O)c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)cc1 14737902 HFTCFKWKQSSWMS-UHFFFAOYSA-N 435.436 4.263 5 20 IIBD C[C@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)Nc1ccc(F)cc1F 18591113 ZOKMETOSOHCZLP-LBPRGKRZSA-N 425.460 4.484 5 20 IIBD CCOc1ccc(C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1[N+](=O)[O-] 19005270 NRFFJELDBMBCPG-UHFFFAOYSA-N 426.454 4.328 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc(COc2ccc(F)cc2)o1 24716861 FCIDNMFTZFCCOK-UHFFFAOYSA-N 428.372 4.010 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])N(Cc1cccs1)c1ccc2c(c1)OCCO2 105553306 CWQUPQKXQWBDFE-UHFFFAOYSA-N 439.493 4.463 5 20 IIBD O=C(Nc1ccccc1I)c1cccc([N+](=O)[O-])c1Br 159043727 LPZLDVUOSVYJDT-UHFFFAOYSA-N 447.026 4.214 5 20 IIBD Cc1cc(C(=O)NCC(=O)Nc2nc(-c3ccccc3Cl)cs2)ccc1[N+](=O)[O-] 216577322 MLUDTXMXOLFAFD-UHFFFAOYSA-N 430.873 4.049 5 20 IIBD Cc1c([C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)oc2ccccc12 303428741 FGQDMGUXFIRPKO-HIFRSBDPSA-N 427.482 4.193 5 20 IIBD Cc1nc(CCNCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)sc1C(=O)O 426687678 LWBQGNJOKQMFSC-UHFFFAOYSA-N 426.498 4.158 5 20 IIBD Cc1noc(C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c2ccccc2)n1 429609556 IPMDOHNWGNNKOW-HNNXBMFYSA-N 435.362 4.411 5 20 IIBD Cc1cc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)nc(N2CCCC2)n1 430140313 NSJIGZQKEVTZAH-UHFFFAOYSA-N 427.892 4.497 5 20 IIBD O=C1CN(Cc2ccc(C(F)(F)F)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1Cl 432018790 HHHVWHSMYKVPLY-UHFFFAOYSA-N 427.766 4.231 5 20 IIBD O=C(CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccccc1)N1CCCCC1 432686886 WSGYZRWLUKMHNV-UHFFFAOYSA-N 446.301 4.017 5 20 IIBD COC(C)(C)C[C@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435822380 PKLJEFIMGDIUBP-LBPRGKRZSA-N 437.543 4.066 5 20 IIBD Cc1cccc(N2CCN(C(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)CC2)c1 435936423 MQMMWSQCPVVTNQ-UHFFFAOYSA-N 433.458 4.230 5 20 IIBD CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 435939117 UCIKBPFIPTYTKG-UHFFFAOYSA-N 443.503 4.181 5 20 IIBD Cc1nc(-c2ccc(NC(=O)C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)cc2)cs1 437036774 HZPPWCQPPMVKQK-UHFFFAOYSA-N 436.493 4.156 5 20 IIBD COc1cccc(-c2noc([C@@H](C)NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)c1 437147730 OGLCXUDYNPGCRL-CHWSQXEVSA-N 428.470 4.011 5 20 IIBD O=C(Nc1cccc(OC[C@H]2CCCO2)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 437904228 BFHAHNAHHCFUII-JOCHJYFZSA-N 441.484 4.228 5 20 IIBD O=C(NCCc1nc(-c2cccc(Cl)c2)no1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437956275 ARYMMOAPMAOFSM-UHFFFAOYSA-N 441.875 4.215 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(NC(=O)C(C)C)cc2)c([N+](=O)[O-])c1 441805559 QLYSNCOBCNZFMW-UHFFFAOYSA-N 435.502 4.012 5 20 IIBD COc1ccc([C@H](N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c2ccccc2OC)cc1 443456955 RPRXVSSNQCFSOO-VWNXMTODSA-N 447.491 4.097 5 20 IIBD Cc1c(NC(=O)[C@@H](C)N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)cccc1[N+](=O)[O-] 443661529 UKTFMZVIEDVYPB-CABCVRRESA-N 426.448 4.390 5 20 IIBD Cc1c(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cccc1C(=O)N1CCCC1 446080180 LMXGQQNELIUUNP-UHFFFAOYSA-N 438.303 4.216 5 20 IIBD O=C(Nc1ccc(F)cc1)c1ccc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 447588968 WPNDOWBITGGTLC-NHCUHLMSSA-N 437.475 4.456 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC4(CCOCC4)CC3)n2CCc2ccccc2)c1 460427384 MNRYLHKIRBFEGQ-UHFFFAOYSA-N 447.539 4.493 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC[C@@H]1CCN(c2ccccc2F)C1 463406792 UIDJEESCMQPMAT-ZDUSSCGKSA-N 440.397 4.078 5 20 IIBD CCOc1ccc([C@@H](NC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c2ccccc2)cc1 464011849 KWZLQOVJPXZSGK-QHCPKHFHSA-N 447.491 4.455 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1CCC2(CCOCC2)C1 464815664 PXOQEZSRPGEXBP-FQEVSTJZSA-N 429.904 4.431 5 20 IIBD O=C(Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccc(F)cc1[N+](=O)[O-] 467286587 WUFLSVZGTSZUOR-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD COc1ccccc1S(=O)(=O)CCCSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 467328230 UDARSJCRSYHUNW-UHFFFAOYSA-N 448.522 4.356 5 20 IIBD COc1cc(OC)cc(N(C)C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 468150583 SAOIEBSNORNGNC-UHFFFAOYSA-N 430.404 4.386 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CCc4c(F)cc(F)cc4[C@@H]3C)cc2)c(C)c1[N+](=O)[O-] 468347651 ITYFYWFVJALMPN-AWEZNQCLSA-N 440.450 4.494 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nnc(-c2cc3ccccc3o2)s1 469011760 QWMDZSZHWMBYSY-UHFFFAOYSA-N 430.467 4.277 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1ccccc1Sc1ccccc1 469358096 BVWIOQVYLRGEPX-SFHVURJKSA-N 439.541 4.295 5 20 IIBD Cc1cc(Sc2nnc(-c3ccccc3)n2Cc2ccc3c(c2)OCO3)ncc1[N+](=O)[O-] 470866013 KDYLQVIWLXVXBM-UHFFFAOYSA-N 447.476 4.485 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C(C)(C)C)nn1-c1ncccn1 474861884 RRKYEPPAEGJCRR-UHFFFAOYSA-N 437.504 4.311 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N(C)C 475211663 WCOZMMWCKHDODO-MRXNPFEDSA-N 426.395 4.047 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 481065551 YALJTESFVRDXQH-INIZCTEOSA-N 443.479 4.416 5 20 IIBD C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C[C@H](C)S1=O 481781781 OYRJBMMQMWEQAU-STQMWFEESA-N 438.958 4.381 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 484009828 ODDDEHAAGWEKHR-IBGZPJMESA-N 434.427 4.020 5 20 IIBD COc1cc(OCc2nc(-c3ccc(-n4cc(Cl)cn4)c(F)c3)no2)ccc1[N+](=O)[O-] 485984760 XWJFTJBEPIGQQW-UHFFFAOYSA-N 445.794 4.211 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)c(C)c([N+](=O)[O-])c1 486885939 OSVFREJFHCHRHE-UHFFFAOYSA-N 442.859 4.415 5 20 IIBD COC(=O)CCSc1ncccc1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 487008169 BWHIRKFVMQPSAF-UHFFFAOYSA-N 444.494 4.021 5 20 IIBD COc1cc(C(=O)N(C)C)ccc1NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 488004783 XKJJIZSNTPGNJC-UHFFFAOYSA-N 434.452 4.301 5 20 IIBD O=C(Nc1ccc(F)cc1OC1CCOCC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 488708421 NFOOBSJJNBHHGZ-UHFFFAOYSA-N 429.448 4.488 5 20 IIBD C[C@]1(c2ccc(Br)s2)NC(=O)N(Cc2c(Cl)cccc2[N+](=O)[O-])C1=O 488810080 PNTRKRMKKNIDBF-OAHLLOKOSA-N 444.694 4.039 5 20 IIBD C[C@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 488977475 RCAHDTRESMPRCH-LLVKDONJSA-N 439.287 4.485 5 20 IIBD CCc1ccc([C@H](NCc2ccncc2OC[C@@H]2CCOC2)c2ccc([N+](=O)[O-])cc2)o1 490431721 KMLRNUWHTGFJJD-MZNJEOGPSA-N 437.496 4.440 5 20 IIBD O=C(Nc1nnc(Cc2ccccc2F)s1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 494185556 LBPXURMLLZTTLX-UHFFFAOYSA-N 427.461 4.373 5 20 IIBD COc1cc(CN[C@H]2CCCN(c3cccc(F)c3)C2)c([N+](=O)[O-])cc1OCC(F)F 494697414 PIFHHWODBDWBNT-INIZCTEOSA-N 439.434 4.145 5 20 IIBD Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)ccc1NC(=O)c1ccco1 497563891 IDBBIAXPQQGVSQ-UHFFFAOYSA-N 429.454 4.166 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)N(CCO)CC1CC1 497826546 UCRONHADJXHGRV-UHFFFAOYSA-N 437.855 4.094 5 20 IIBD CC(=O)NCc1ccc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 497988539 KYIUHHXOBKCKSK-HNNXBMFYSA-N 433.468 4.051 5 20 IIBD CCNc1ccc(C(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)cc1[N+](=O)[O-] 498454422 MZBGLKPJKGVXBC-UHFFFAOYSA-N 430.464 4.482 5 20 IIBD COc1cc(C(=O)NCCc2cccc(OCc3ccccc3)c2)c([N+](=O)[O-])cc1OC 498518517 XGTHFHHNNYHYOH-UHFFFAOYSA-N 436.464 4.164 5 20 IIBD COc1cc(C(=O)N[C@@H](C)c2cccc(F)c2F)c([N+](=O)[O-])cc1OCc1cscn1 500508413 PUTGZVIKQRGIIX-NSHDSACASA-N 449.435 4.408 5 20 IIBD CC(C)(C)n1ncnc1CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 501241789 CPVCDVXVDPBOSS-UHFFFAOYSA-N 429.864 4.317 5 20 IIBD COc1cc(CCNC(=O)N[C@H]2CC(C)(C)Cc3oc(C)cc32)c([N+](=O)[O-])cc1OC 504437045 ULBQYSAHNJMKBS-INIZCTEOSA-N 431.489 4.069 5 20 IIBD O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1 505719437 LEIOOWUKUBOCFY-UHFFFAOYSA-N 435.484 4.143 5 20 IIBD CC1(C)CN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C[C@@](C)(C(F)(F)F)O1 505752503 GFMALHJIPNTEGZ-NRFANRHFSA-N 436.405 4.392 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC([C@@H](F)c2ccccc2F)CC1 506739037 WPNNUIRSCLXWOG-LJQANCHMSA-N 431.439 4.239 5 20 IIBD O=C(CC[S@](=O)Cc1csc(-c2ccccc2F)n1)Nc1ccccc1[N+](=O)[O-] 507708388 JFALQWCDFFKAIC-LJAQVGFWSA-N 433.486 4.135 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCO[C@@H]1c1ccnn1Cc1ccccc1 509418207 SCBVLWPVPUPEJC-UPVQGACJSA-N 448.523 4.056 5 20 IIBD COc1cc(C(=O)N[C@H](C)Cc2ccccc2C)c([N+](=O)[O-])cc1OCc1cscn1 509968816 HLWIDMIXXVFBTA-OAHLLOKOSA-N 441.509 4.308 5 20 IIBD Cc1ccc(C(C)C)c(Oc2ccc(CN3CCCN(C(N)=O)CC3)cc2[N+](=O)[O-])c1 512581068 FXVUUKJNBMFVFT-UHFFFAOYSA-N 426.517 4.405 5 20 IIBD COc1cc(-c2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)cc(Br)c1OC 514815634 GWBYKROSPQIEPO-UHFFFAOYSA-N 434.246 4.324 5 20 IIBD O=C(Nc1ccc(F)cc1Cl)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 515632815 BOWBVPMTNGWHHN-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD CCOc1cc(NC(=O)C(=O)N(CC)Cc2cccc(Cl)c2)c([N+](=O)[O-])cc1OCC 516012924 ZBVGBGLCALTIOQ-UHFFFAOYSA-N 449.891 4.033 5 20 IIBD O=C(c1ccccc1)c1ccc(Sc2nnc([C@@H]3CCCNC3)n2C2CC2)c([N+](=O)[O-])c1 516680324 JIBFZMQUOSXXDA-QGZVFWFLSA-N 449.536 4.370 5 20 IIBD Cc1cc(C(C)(C)C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1Br 517443016 KPCUDULBVNZRNT-HNNXBMFYSA-N 447.333 4.051 5 20 IIBD COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 518259736 SFFCKVPPKAXBNE-APWZRJJASA-N 430.526 4.292 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn(-c2cccc(Br)c2)c1C 518492808 QHXHZCUMRVHZHE-UHFFFAOYSA-N 431.246 4.112 5 20 IIBD COc1cc(OCC(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)ccc1[N+](=O)[O-] 519028751 VCGIHMZFXDBPDH-UHFFFAOYSA-N 435.436 4.182 5 20 IIBD O=C(CC(F)(F)F)N1CCC(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 520960071 FLAAHVYWRMDYTK-UHFFFAOYSA-N 427.448 4.356 5 20 IIBD CC(C)(C(=O)Nc1ccnc(Oc2ccccc2Br)c1)n1cc([N+](=O)[O-])cn1 522816502 IVJFRGXQKOZRDF-UHFFFAOYSA-N 446.261 4.115 5 20 IIBD CCCC(=O)NC[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 523847855 NLHGKPITHCABEX-QGZVFWFLSA-N 425.485 4.156 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cccc(C[S@@](C)=O)c3)cc2[N+](=O)[O-])C1 524546853 TVOBYMUPXMOSAM-VJEWJGBVSA-N 429.542 4.208 5 20 IIBD Cc1c(CN2CCSCC2)cccc1NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 538834344 MTUHIHLARIJEQZ-UHFFFAOYSA-N 437.569 4.465 5 20 IIBD Cc1cc(-c2noc(CCC(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])n2)ccc1F 539795453 YVZJGOQZPVHURL-UHFFFAOYSA-N 432.839 4.037 5 20 IIBD CCc1cnccc1[C@H](C)NC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 540198827 LIGQLKZXIJZBBG-INIZCTEOSA-N 446.507 4.340 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1 540775693 OYKRVCYHLPMEJA-UHFFFAOYSA-N 445.526 4.290 5 20 IIBD O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)Nc1ccc([N+](=O)[O-])cc1F 542713270 UGKDIZWRIUEASM-LBPRGKRZSA-N 437.269 4.144 5 20 IIBD CC(C)c1cc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])n(-c2ncccn2)n1 544074115 ZGQIUINBOJEVBO-UHFFFAOYSA-N 432.893 4.078 5 20 IIBD O=[N+]([O-])c1cccc2ncnc(Nc3cccc(CS(=O)(=O)Cc4ccccc4)c3)c12 544393075 RJDNJAXNZWRHRC-UHFFFAOYSA-N 434.477 4.397 5 20 IIBD Cc1nn(Cc2ccc(-c3nc([C@H]4OCCc5ccccc54)no3)cc2)c(C)c1[N+](=O)[O-] 545710279 PEBXWVWJYQMJHQ-NRFANRHFSA-N 431.452 4.169 5 20 IIBD Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 546083082 KBNJJVBFPSVLAT-UHFFFAOYSA-N 445.357 4.095 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)NCCc2cn3cc(Br)cc(C)c3n2)c1 546769880 YICMZIHZUXYIPR-UHFFFAOYSA-N 449.330 4.008 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 549380240 QDLIPBDGJCCLGR-SFHVURJKSA-N 447.417 4.470 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@](CO)(C(C)C)C2)c([N+](=O)[O-])c1 550433757 UVXIUPGYEJKANU-UPVQGACJSA-N 425.529 4.314 5 20 IIBD Cc1nnc(-c2cc(F)ccc2NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)o1 551637207 ZQSYSASGXUVNOE-UHFFFAOYSA-N 435.209 4.416 5 20 IIBD Cc1cc2cc(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)ccc2n(C)c1=O 553917161 QDVHGVMPXJEPQJ-UHFFFAOYSA-N 445.425 4.372 5 20 IIBD Cc1cc(CN[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)nc(C)n1 556292306 JVFFNUQAZSFXGB-FQEVSTJZSA-N 425.876 4.125 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c1 558802779 IACSQYQEYQBPDY-XOBRGWDASA-N 435.883 4.209 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 561426584 OJOHMOSCCJLWAU-IBGZPJMESA-N 440.443 4.224 5 20 IIBD COc1cccc(OC(F)(F)F)c1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] 562868204 CBSSNGHWKPETOV-UHFFFAOYSA-N 449.179 4.195 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1ccc(Oc2cccnc2)cc1 569287023 OXRSNXAVSMMTLA-MRXNPFEDSA-N 436.468 4.470 5 20 IIBD O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCCc2c[nH]c3cccc(Br)c23)n1 571092512 SKVFGVDPVHEVKM-WBVHZDCISA-N 432.322 4.351 5 20 IIBD COc1cc(Cc2noc([C@H](C)Oc3ccc(SC)cc3)n2)c([N+](=O)[O-])c(OC)c1 571847526 AATFJJCVIWSWPG-LBPRGKRZSA-N 431.470 4.448 5 20 IIBD CC(C)n1ccc(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n1 576865153 YZYRLZPIWYQAKX-UHFFFAOYSA-N 444.495 4.084 5 20 IIBD Cc1c(NC(=O)[C@@H](C)Sc2n[nH]c(COc3ccc(Cl)cc3)n2)cccc1[N+](=O)[O-] 597862546 TTXPJVRIMGOJQO-GFCCVEGCSA-N 447.904 4.373 5 20 IIBD Cc1nn(C)c2nc(C3CC3)cc(C(=O)N(Cc3ccccc3[N+](=O)[O-])CC(F)(F)F)c12 603742180 MUNZMEIEZXIZTP-UHFFFAOYSA-N 447.417 4.267 5 20 IIBD CCOc1cc(C(=O)N[C@H](C(=O)Nc2ccccc2)c2ccccc2)c([N+](=O)[O-])cc1OC 603761328 FRLPEMQYGPOXRX-QFIPXVFZSA-N 449.463 4.112 5 20 IIBD CCn1c(-c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)nc2cc(S(=O)(=O)N(C)C)ccc21 603807251 DWQGUTOHIXCLMS-UHFFFAOYSA-N 440.481 4.142 5 20 IIBD CC(C)NC(=O)c1ccc(N2CCC(C(=O)c3cc(F)ccc3F)CC2)c([N+](=O)[O-])c1 603862488 YWBFNMOECLALRY-UHFFFAOYSA-N 431.439 4.111 5 20 IIBD COc1cc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)ccc1NC(C)=O 603909017 RISHCQAEQQBYND-UHFFFAOYSA-N 434.452 4.426 5 20 IIBD Cc1ccc([C@@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)N2CCOCC2)o1 608835902 XEAVLIVNCYEJIN-HXUWFJFHSA-N 427.526 4.388 5 20 IIBD CCCc1ccc(-c2cc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)n(CCO)n2)cc1 608944382 AWKGXYPMEXSHFL-UHFFFAOYSA-N 449.511 4.230 5 20 IIBD O=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609490598 JZJKCILSFPUUBO-UHFFFAOYSA-N 429.436 4.301 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)Nc1cc(Br)cnc1OCC(F)(F)F 609636338 UVVISVZYQPCZSZ-UHFFFAOYSA-N 449.183 4.015 5 20 IIBD CSc1ccc(C(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)cc1[N+](=O)[O-] 609646483 CZXXHDNBKRWJCS-AWEZNQCLSA-N 425.432 4.344 5 20 IIBD O=C(c1csc(-c2cccc(Cl)c2)n1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 609837759 FAHGUXOTZLJRRS-CQSZACIVSA-N 429.889 4.093 5 20 IIBD COC(=O)c1ccsc1NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 609856255 UQRRJFUKNKKVKZ-UHFFFAOYSA-N 441.252 4.188 5 20 IIBD CCn1c(SCC(=O)N2CCCc3ccc([N+](=O)[O-])cc32)nnc1-c1cccc(C)c1 609859909 SXCHTOFMUBWMRF-UHFFFAOYSA-N 437.525 4.253 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CCC(c2ccccc2F)CC1 609898947 KUTQQZHUCFSVPM-UHFFFAOYSA-N 443.294 4.065 5 20 IIBD CCCn1c(Sc2nccc(C(=O)OCC)c2[N+](=O)[O-])nnc1-c1cccc(C)c1 609961004 SMNRIKOBETZVOD-UHFFFAOYSA-N 427.486 4.295 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1Br)NCc1ccccc1OC1CCCC1 609961960 OBFAOTXZYRTBNS-UHFFFAOYSA-N 449.301 4.374 5 20 IIBD O=C(Nc1cccc(Cl)c1N1CCOCC1)c1ccc([N+](=O)[O-])cc1Br 610037909 DESQELDDESMJFZ-UHFFFAOYSA-N 440.681 4.100 5 20 IIBD C[C@@H](c1cccc(O)c1)N(C)c1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] 610431905 XDUTZSPKFCDOAF-INIZCTEOSA-N 433.530 4.063 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N1CCc2c[nH]nc2C1 611011543 BJBQCOMQWYRABY-BOPFTXTBSA-N 445.504 4.443 5 20 IIBD NC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)ccc1F 611213408 WSNNRWMLYQORNR-UHFFFAOYSA-N 442.834 4.351 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C 725797494 DEFITNKZFFGLRB-MSOLQXFVSA-N 446.548 4.096 5 20 IIBD CC(C)COC(=O)N1CCC(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 726134619 KHAFKCSGSGGJKW-UHFFFAOYSA-N 432.502 4.161 5 20 IIBD CN(CCCNC(=S)/C(=C(/O)c1ccc([N+](=O)[O-])cc1)[n+]1ccccc1)c1ccccc1 726571432 INDJKKKVZGODIG-UHFFFAOYSA-O 449.556 4.210 5 20 IIBD CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)OCc1c(F)cccc1[N+](=O)[O-] 728987895 MFJZWIFLSAMHES-FDBJDISXSA-N 432.492 4.134 5 20 IIBD Cc1ccsc1C(=O)Nc1ccc(OC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 729215521 FHHAKFBGOSSEGI-UHFFFAOYSA-N 426.406 4.165 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCCc2cc(Br)cc(Cl)c21 729660172 QGVBAMWUIMJTFH-UHFFFAOYSA-N 449.692 4.340 5 20 IIBD CC[C@H](NC(=O)c1ccc(I)c([N+](=O)[O-])c1)c1ccccc1OC 730472952 DCPSZXWONYVVCX-AWEZNQCLSA-N 440.237 4.089 5 20 IIBD O=C(OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1ccc(SC(F)F)cc1 730703068 GVQCPLPYCZWSRW-CQSZACIVSA-N 436.436 4.371 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 732646749 JAALYLVEPIAIIP-KAMYIIQDSA-N 428.510 4.494 5 20 IIBD CCCCc1nc(COC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cs1 733479667 WUOKCGHMJVUWBO-SFHVURJKSA-N 431.514 4.050 5 20 IIBD C[S@](=O)Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)ccc1Cl 734403702 WAAWSJMQAUGQBK-DEOSSOPVSA-N 431.695 4.142 5 20 IIBD CC(C)(C)c1ccc([C@H](O)CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 734870334 PJBYFRMFFVXTTG-XMMPIXPASA-N 428.532 4.302 5 20 IIBD COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 741240659 UWBXFQCVCJBXFX-CQSZACIVSA-N 436.867 4.256 5 20 IIBD COc1ccc(Cl)cc1C[C@@H]1CCCN(c2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])C1 741246504 ZGMYWFXLIBAXHR-AWEZNQCLSA-N 449.891 4.425 5 20 IIBD COc1ccccc1-c1ccc([C@@H](C)NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])cc1 741726635 CDWPJBQAKZKKFR-MRXNPFEDSA-N 434.448 4.339 5 20 IIBD COc1ccc([C@@H](Cc2ccccc2C)NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1OC 742411361 OQMVMTPGRCVRDB-HXUWFJFHSA-N 435.480 4.216 5 20 IIBD CC(C)NC(=O)c1ccc(N[C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 742418858 XFJXMNXATSCSNG-IRXDYDNUSA-N 434.537 4.228 5 20 IIBD COC[C@@H](C)n1c(C)cc(C(=O)COC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C 745567096 DLSVZRBASLUYCE-GFCCVEGCSA-N 442.390 4.279 5 20 IIBD C[C@H](OC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C(=O)N[C@H](C)c1ccc2ccccc2c1 746606820 BTDJAWSPQQRBQT-CABCVRRESA-N 440.427 4.075 5 20 IIBD CC[C@@H](C(=O)N1CCC(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1)c1ccccc1 749934035 OBTWYMAEQGFSEO-QGZVFWFLSA-N 429.904 4.163 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2cccc(Cl)n2)c2ccccc2)c([N+](=O)[O-])c1 750165134 MZVVCJCYCBEGNJ-LJQANCHMSA-N 425.828 4.488 5 20 IIBD C[C@@H](Nc1ccc(C(=O)OCc2ccc(-n3ccnc3)nc2)cc1[N+](=O)[O-])c1ccccn1 750335398 WNBNLJFDXGHZFX-MRXNPFEDSA-N 444.451 4.101 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] 752022544 CAOFEOUACKNAFK-HZPDHXFCSA-N 434.537 4.299 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(Cc1ccccc1)C[C@H](O)c1ccco1 752775512 VMQBAFKRHZWWNM-BEFAXECRSA-N 444.871 4.371 5 20 IIBD CN1C(=O)CCc2cc(C(=O)COc3ccc([N+](=O)[O-])cc3Cc3ccccc3)ccc21 753760074 QTUSHOSUHQJEBO-UHFFFAOYSA-N 430.460 4.356 5 20 IIBD O=C(Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2Br)cn1)c1ccccc1 753826982 ZUQHNWKXRXULGZ-UHFFFAOYSA-N 441.241 4.257 5 20 IIBD CO[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1ccc(Cl)cc1 755012400 DOOFACVHWXXNMW-AWEZNQCLSA-N 431.645 4.267 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl 759774610 UZYHYMHCUZUZTQ-GOSISDBHSA-N 433.940 4.493 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)[C@H](C)CC(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 759852212 LXYZLMDDNQGFQJ-OCCSQVGLSA-N 432.860 4.336 5 20 IIBD COc1ccccc1OCc1ccc(C(=O)O[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)o1 759928027 FOGIGDWFZMXJPM-DLBZAZTESA-N 441.440 4.313 5 20 IIBD CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)O[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 759948287 MUDAHJUJEYRRMB-IAGOWNOFSA-N 432.452 4.256 5 20 IIBD Cc1cc(C)n(-c2ccc(CC(=O)OCc3coc(-c4ccc([N+](=O)[O-])cc4)n3)cc2)n1 760498904 XUTQFVCLRNHCJW-UHFFFAOYSA-N 432.436 4.338 5 20 IIBD COc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 762171599 PKENRKYFHJOLMA-UUOWRZLLSA-N 434.492 4.469 5 20 IIBD C[C@@H](OC(=O)c1cc(N(C)C)nc2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 763285213 VHEMGFKYLWCTMD-GFCCVEGCSA-N 442.859 4.046 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(OC(F)(F)F)cc1 763717673 PYHMXLNXKMFDDD-SNVBAGLBSA-N 446.765 4.181 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(Cc2cccc(OC)c2)CC1 763956894 SKMPUOAATMKUSG-UHFFFAOYSA-N 429.542 4.110 5 20 IIBD O=C(NC[C@H](O)c1cccc(OCc2ccccc2)c1)c1ccc([N+](=O)[O-])c2cccnc12 765864161 RGPHWUZFFYQUAN-QHCPKHFHSA-N 443.459 4.185 5 20 IIBD CCCN(CCc1cccs1)C(=O)c1cc([N+](=O)[O-])ccc1I 766657663 YVRQQCYSVZXXON-UHFFFAOYSA-N 444.294 4.356 5 20 IIBD Cn1ncc([N+](=O)[O-])c1C(=O)O[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 766974825 YHUNMNJQIALGJI-KRWDZBQOSA-N 449.250 4.172 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)cs1 768835038 MDFBZNWVOCPRQF-CQSZACIVSA-N 439.515 4.275 5 20 IIBD CC(=O)N(c1nc(COC(=O)c2cc(O)cc([N+](=O)[O-])c2)cs1)c1cccc(C)c1C 769047898 KZVCWBMGXBBYOI-UHFFFAOYSA-N 441.465 4.415 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCc3ccc([C@H](C)O)c(C)n3)cc2[N+](=O)[O-])n1 770535546 KXJWWLSAHHQLJN-ZDUSSCGKSA-N 444.538 4.198 5 20 IIBD Cc1c(C(=O)N[C@H](C)[C@H](O)c2c(Cl)cccc2Cl)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 771728906 WKKHZDNUJRUXHZ-QGHHPUGFSA-N 442.255 4.279 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@@H]1CSCCN1C(=O)OC(C)(C)C 772062928 AULSVMHONAORKS-GOSISDBHSA-N 437.562 4.074 5 20 IIBD Cc1cccc([C@@H](O)CN(Cc2ccccc2)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 772896467 AMHUKRKQYLATMX-QHCPKHFHSA-N 440.521 4.047 5 20 IIBD Cc1ccccc1C[C@H](C)N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br 774007909 HWOFCOZLFATAKW-AWEZNQCLSA-N 448.317 4.002 5 20 IIBD COc1cccc(-n2c(SC[C@@H](O)c3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)c1 776270647 FNBNDFSRZFWUJX-OAQYLSRUSA-N 449.488 4.128 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1 778783935 PJYCKJZZARKHHP-GOSISDBHSA-N 440.496 4.215 5 20 IIBD CCCN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 779351121 XGVVRIXHCPQVPZ-CQSZACIVSA-N 443.447 4.058 5 20 IIBD O=C(Nc1ccc(Cn2cnc3ccccc32)cc1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781634851 IATDQEYGKQRCDQ-HSZRJFAPSA-N 441.447 4.125 5 20 IIBD O=C(NOCc1ccc(F)cc1Br)c1ccc([N+](=O)[O-])cc1Br 781884689 SKFLJWRCXHSHGJ-UHFFFAOYSA-N 448.042 4.121 5 20 IIBD Cc1cccc([C@H](O)CN(Cc2ccccc2)c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 782961886 LGSYYEVZWJLXDF-LJQANCHMSA-N 446.550 4.108 5 20 IIBD Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c(C)c1 786783808 XCKCYUNGTXARSA-INIZCTEOSA-N 437.452 4.017 5 20 IIBD CN(CC(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1)c1ccccc1[N+](=O)[O-] 787663676 CFFGFVIPECOHDU-UHFFFAOYSA-N 445.519 4.208 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 789432310 ZQDXIRAZVGHPRV-UHFFFAOYSA-N 432.521 4.467 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Oc2cccc(Oc3ccccn3)c2)c(C)c1[N+](=O)[O-] 790822106 DBBGZPMHUCHFKA-UHFFFAOYSA-N 445.409 4.075 5 20 IIBD CC(C)n1cnnc1CN(C)[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 795625310 MNVXFNZAXHOHSU-FQEVSTJZSA-N 442.907 4.232 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)CCOc1cccc(I)c1 800145455 DSCFFIYHXWNXAV-UHFFFAOYSA-N 444.200 4.055 5 20 IIBD CC[C@](O)(C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(Cl)c1 800320032 QAGJVZODWOCHRS-FKIZINRSSA-N 431.832 4.200 5 20 IIBD CO[C@@H](COC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(Cl)cc1 801252035 VALZNROXUOYVIU-PMACEKPBSA-N 446.887 4.092 5 20 IIBD Cc1c(C(=O)OCC(=O)c2cccc(Cl)c2Cl)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 801832824 RAIDLPYOVCMQDY-UHFFFAOYSA-N 427.196 4.466 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@H](C)OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 802082299 DPAOFNVUEIXDAT-ZDUSSCGKSA-N 446.506 4.348 5 20 IIBD CC(=O)c1oc2cc(C)ccc2c1CC(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 805664983 VFMSLIDHROAMPL-UHFFFAOYSA-N 444.827 4.230 5 20 IIBD CC(C)(C)OC(=O)N1CCC(c2csc(NC(=O)c3ccc(N)c([N+](=O)[O-])c3)n2)CC1 807883641 OPNLULJHINAGRX-UHFFFAOYSA-N 447.517 4.000 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1Cl 809914098 GRGSUTZFPHFHGR-INIZCTEOSA-N 432.864 4.200 5 20 IIBD CC[C@@H](OC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(=O)Nc1ccc(OC)cc1 811373240 UCGHXZWTFFAVJK-OAHLLOKOSA-N 427.240 4.484 5 20 IIBD O=C(COC(=O)c1c(F)cc(C(F)(F)F)cc1F)Nc1cc([N+](=O)[O-])ccc1Cl 811416110 HLWTWZKMJPWVNJ-UHFFFAOYSA-N 438.692 4.341 5 20 IIBD CCc1nc2ccc(Cl)cn2c1C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 812648596 KEOUODYLPBKTNR-LLVKDONJSA-N 441.831 4.426 5 20 IIBD O=C(c1cc(Cl)ncc1Br)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 813023940 FNGQRRDROMMNDS-OAHLLOKOSA-N 428.695 4.294 5 20 IIBD C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccc(N2CCCOC2=O)cc1 814352005 PDSJLYSIYBGIDS-LBPRGKRZSA-N 448.273 4.195 5 20 IIBD O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NCc1ccnc(Oc2ccccc2)c1 814989849 XLZPWESCXIVFRH-UHFFFAOYSA-N 437.836 4.053 5 20 IIBD C[C@H](c1ccc(F)cc1)N1CC[C@@H](OC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C1=O 815235134 QDEXQZNMWNECMF-BDJLRTHQSA-N 440.349 4.272 5 20 IIBD Cc1ccc(C(C)(C)CNC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c(C)c1 815715596 NEEUGOQXWGGRBN-UHFFFAOYSA-N 448.317 4.007 5 20 IIBD O=C(Cc1c[nH]c2cccc(Cl)c12)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 815931299 XBCQQIVFAWVSTF-UHFFFAOYSA-N 428.876 4.127 5 20 IIBD COc1ccc(CCC(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1Cl 818174368 RRKPGFRVMPJIPE-UHFFFAOYSA-N 427.240 4.025 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 915787344 VUBPPPFAEZWMJV-LJQANCHMSA-N 427.819 4.232 5 20 IIBD O=C(NC1CCC2(CC1)OCCO2)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 916428202 XDHJCQSPPIARNS-UHFFFAOYSA-N 445.903 4.276 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])OCc1nnc(-c2cc3c(s2)CCCC3)o1 916486697 HFMJBYSUGUDNNW-UHFFFAOYSA-N 431.495 4.421 5 20 IIBD COc1ccc(COC(=O)c2sc(COc3ccc(F)cc3)nc2C)cc1[N+](=O)[O-] 918933475 XPMKHWBNHYMVML-UHFFFAOYSA-N 432.429 4.443 5 20 IIBD O=C(N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)C12CC3CC(CC(C3)C1)C2 919963288 XFODKFPHDKQFLA-UHFFFAOYSA-N 437.462 4.479 5 20 IIBD COC(=O)[C@@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1Cl 1317749217 OTYQXWYJYWNLCG-AWEZNQCLSA-N 428.622 4.082 5 20 IIBD COc1cc(COC(=O)C2(c3ccccc3OC)CCC2)c([N+](=O)[O-])cc1OC(F)F 1338158582 ZNMIFGWPTGIJOV-UHFFFAOYSA-N 437.395 4.379 5 20 IIBD O=[N+]([O-])c1ccc(CN[C@H](CCO)c2ccccc2Br)c(Br)c1 1338320930 UJNWYKCECMIEKD-MRXNPFEDSA-N 444.123 4.333 5 20 IIBD O=C(Cc1cc(F)ccc1[N+](=O)[O-])Nc1ccc(C2(NC(=O)C34CC(C3)C4)CCC2)cc1 1792310213 UBYVFMBACPLCKR-UHFFFAOYSA-N 437.471 4.211 5 20 IIBD CC(C)/C=C/C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 1803441506 YYADYPCEUFVTNW-KFSMGIKGSA-N 427.526 4.274 5 20 IIBD CCCCC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@H]1c1cccnc1 1812692400 DDYADTUKZBVXLC-MDKPJZGXSA-N 442.516 4.119 5 20 IIBD O=C(c1cccc(F)c1F)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823614974 ITUGBLMYGUPKCX-KRWDZBQOSA-N 447.438 4.013 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)C1c2ccccc2Oc2ccccc21 9443074 DPYQVANGCQRGGO-UHFFFAOYSA-N 434.404 4.023 5 20 IIBD O=C(NCCc1ccc(Br)s1)c1ccc(Br)c([N+](=O)[O-])c1 10501464 CTFCVHRDNQGIAL-UHFFFAOYSA-N 434.109 4.154 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Oc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 14471599 GQJFKPDIGKNRAM-UHFFFAOYSA-N 425.253 4.401 5 20 IIBD Cc1occc1-c1nnc(SCc2ccc(C(N)=O)cc2[N+](=O)[O-])n1Cc1ccccc1 16805039 VDVJMVADYLDSTC-UHFFFAOYSA-N 449.492 4.194 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)C2(c3ccccc3F)CCCC2)c([N+](=O)[O-])c1 18527112 MHOXVEGRHMODLZ-CQSZACIVSA-N 430.432 4.125 5 20 IIBD Cc1ccccc1NC(=O)[C@H](C)OC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 18968841 NBDLDHONKYMSJV-ZDUSSCGKSA-N 439.390 4.294 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 21605682 IEOTXZITPZPSMR-MRVPVSSYSA-N 431.754 4.033 5 20 IIBD CCN(C(C)=O)c1nc(COC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cs1 23559937 VIPVYBBHRMHMFV-UHFFFAOYSA-N 446.529 4.017 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1 61166675 AYDVGXYWAFLCIQ-UHFFFAOYSA-N 447.923 4.187 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NC[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-])c1ccccn1 108751731 BSUWRYQICIBQMU-UZUQRXQVSA-N 433.512 4.196 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N(C)[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 250322833 NJHPRPHYOOIKML-QGZVFWFLSA-N 440.525 4.402 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1[N+](=O)[O-] 255948651 SLJUDQOIMXIBFC-UHFFFAOYSA-N 429.542 4.401 5 20 IIBD CCC[C@@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)c1nnc2ccccn12 261399310 ZYEXQJFOZJDIAK-GOSISDBHSA-N 436.516 4.145 5 20 IIBD CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 261461089 TUHPNQXAXLPJOH-DLBZAZTESA-N 425.485 4.200 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NCc2cc3cc(Br)ccc3[nH]2)c1[N+](=O)[O-] 302206510 KNCFMYCJOUZKKD-UHFFFAOYSA-N 435.234 4.160 5 20 IIBD COC(=O)c1cc(C(=O)N[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)cc([N+](=O)[O-])c1 410051125 WLMUQGMWFIYTQV-QHCPKHFHSA-N 446.459 4.226 5 20 IIBD CN1CCC(N(Cc2ccco2)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 426263809 ABWKFBPLAGFYPN-UHFFFAOYSA-N 440.422 4.013 5 20 IIBD CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)[C@H](c1ccc(Cl)cc1)c1cnccn1 427429981 VZWKGTPWNDMIPN-HXUWFJFHSA-N 428.901 4.378 5 20 IIBD CCCc1c(NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)cnn1-c1ccc(F)cc1 429348732 XWQFLCSOHTUMDU-UHFFFAOYSA-N 428.420 4.142 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CN1CCO[C@H](c2ccc(F)c(Br)c2)C1 430208674 UXTGIUHGZLSADX-SFHVURJKSA-N 425.254 4.079 5 20 IIBD O=C(O)CSCc1cccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1 431662502 QVUABHTXYHENJB-UHFFFAOYSA-N 426.903 4.297 5 20 IIBD C[C@H](CN(C)c1ccc([N+](=O)[O-])c(N(C)C[C@@H](C)c2nccs2)n1)c1nccs1 433770942 LEDQOLQFLKJHQO-ZIAGYGMSSA-N 432.575 4.383 5 20 IIBD COC(=O)c1cccc(OCc2noc(-c3ccc4[nH]c5ccccc5c(=O)c4c3)n2)c1 435987638 YVBULDLBGJXLPG-UHFFFAOYSA-N 427.416 4.097 5 20 IIBD O=C(NCCOc1ccc(Br)cc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 436314006 QNKYDCLFXLGBBE-UHFFFAOYSA-N 437.293 4.253 5 20 IIBD CC[C@@H]1CN(S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c2ccccc2O1 438767082 PAJPWOOTRNKYJF-GFCCVEGCSA-N 441.303 4.032 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2cc(Br)ccc2C)cc1SC 438922962 PMYTYKHUPSYBKB-UHFFFAOYSA-N 425.304 4.326 5 20 IIBD C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1ccc(Br)s1 443397689 JEURKFJQUOLQTN-SNVBAGLBSA-N 436.287 4.223 5 20 IIBD CCc1[nH]nc(C(=O)N2CCCc3c(NC(=O)CC4CCCCC4)cccc32)c1[N+](=O)[O-] 444273020 ZIGWKGYEGQSEKR-UHFFFAOYSA-N 439.516 4.382 5 20 IIBD CN(C(=O)c1cn(-c2cccc(Cl)c2)nn1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 446016214 PEFSYAPJPSMAGO-UHFFFAOYSA-N 440.872 4.229 5 20 IIBD COc1cc(CN(C)Cc2cc(C(C)(C)C)n[nH]2)c([N+](=O)[O-])cc1OCC(F)(F)F 447067439 KIMDFTSHNMDESV-UHFFFAOYSA-N 430.427 4.197 5 20 IIBD COc1ccc(CSCC(=O)N2CCC[C@@H]2CC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 448435616 BKRIBBHVEHBYSM-GOSISDBHSA-N 446.500 4.240 5 20 IIBD Cc1ccc(-c2nnc(N3CCc4ccc([N+](=O)[O-])cc4C3)n2C[C@H]2CCCO2)cc1F 461061424 UXYGPESCSRGDPB-HXUWFJFHSA-N 437.475 4.043 5 20 IIBD C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 462404001 VMUVXVBJIKXJMI-IOASZLSFSA-N 439.331 4.313 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C 462601945 CDSXMWLUFCSHIE-BLLLJJGKSA-N 426.439 4.417 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1Cc2ccc(O)cc2C2(CC2)C1 462865092 VAGWHGKJAPJKBD-UHFFFAOYSA-N 432.426 4.353 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 463967998 XJWNVGMSJPPVIU-INIZCTEOSA-N 444.919 4.172 5 20 IIBD COCCOC[C@@H]1CCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 464423896 FPBWORYUKSFSJB-QGZVFWFLSA-N 430.526 4.180 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1S(=O)(=O)C1CCCC1 464570177 OLMFDFWPEQBIMQ-CQSZACIVSA-N 434.539 4.430 5 20 IIBD C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 464588982 PSGPPBHMUHINSI-KRWDZBQOSA-N 431.448 4.293 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CNC(=O)Cc2ccc(OC)cc2)cc1 464706294 DBBJDVIFIOKGGA-UHFFFAOYSA-N 447.491 4.277 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O 464721031 UVVJCZLSEHOAAZ-UHFFFAOYSA-N 446.385 4.283 5 20 IIBD CC(C)(CCO)CNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 465971310 GILVKFQVALCSEA-UHFFFAOYSA-N 439.871 4.387 5 20 IIBD COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)Cn2cc([N+](=O)[O-])c(C3CC3)n2)cc1 468102497 FOOKEGZXMIPDNO-NRFANRHFSA-N 445.479 4.055 5 20 IIBD C[C@H](O)C[C@H]1COCCN1C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 468671241 GREMAUZPYZCVIO-ZFWWWQNUSA-N 436.917 4.011 5 20 IIBD Cc1cccc([C@@H]2CCCCCN2C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)c1 469441650 XUEBFZFMLGEMBM-IBGZPJMESA-N 435.480 4.314 5 20 IIBD CN(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCOc2ccc(Br)cc21 470637012 XQZGXECWQGUEKF-QGZVFWFLSA-N 434.290 4.065 5 20 IIBD Cc1ccc(NC(=O)C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)cc1[N+](=O)[O-] 475628701 XUILIPQFMBLMPQ-UHFFFAOYSA-N 435.402 4.267 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N(CCc1ccccc1)[C@@H]1CCOC1 475650131 QIGIOJPRJNJGHR-OAQYLSRUSA-N 426.516 4.015 5 20 IIBD Cc1c(CNC(=O)N2CCC(Oc3cccc(Br)c3)CC2)cccc1[N+](=O)[O-] 480059990 JZFAUBOIYJMGPA-UHFFFAOYSA-N 448.317 4.419 5 20 IIBD CCN(CC)C(=O)Nc1ccc([C@@H](C)NS(=O)(=O)c2c([N+](=O)[O-])ccc(C)c2C)cc1 480867106 KXVCVAVORMRIOI-MRXNPFEDSA-N 448.545 4.125 5 20 IIBD C[C@H]1CN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C[C@@H](C)[S@]1=O 481767650 PCJLLCJFSIVLCO-BBUILTEJSA-N 438.958 4.381 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)NC(C)C)cc1 481881327 PSHPKUSEZNGPCI-UHFFFAOYSA-N 432.502 4.116 5 20 IIBD COc1ccc(CNC(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)cc1[N+](=O)[O-] 484439370 LQBIOXYXHORDRM-UHFFFAOYSA-N 426.448 4.313 5 20 IIBD CCc1[nH]nc(C(=O)Nc2cc(-c3ccccc3C)nn2Cc2ccccc2)c1[N+](=O)[O-] 484758090 WEFVYVBKFREJCF-UHFFFAOYSA-N 430.468 4.353 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccnn2-c2cccc(Cl)c2)cc1[N+](=O)[O-] 485964596 CDTPSAVRXPRYHJ-UHFFFAOYSA-N 432.889 4.314 5 20 IIBD O=C(c1ccc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1)C1CCC1 486090780 GUDLMJNMAFWPRK-UHFFFAOYSA-N 439.287 4.141 5 20 IIBD C[C@@]1(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCCN(C(=O)c2ccccc2)C1 486694225 BUDKMWGRSQLHDZ-OAQYLSRUSA-N 449.429 4.172 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3ccnn3Cc3ccc(F)cc3)cc2[N+](=O)[O-])CC1 486843961 MKJMTUBWCKNJRS-UHFFFAOYSA-N 437.475 4.467 5 20 IIBD O=C(Nc1ccc(F)c(Cl)c1)C1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 486964756 HPLKSNNTCSWFGW-UHFFFAOYSA-N 445.838 4.292 5 20 IIBD CN(CC(=O)NC(c1ccccc1)c1ccccc1)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] 488742155 DIAOMMALTNYLMH-UHFFFAOYSA-N 444.413 4.351 5 20 IIBD CCOc1cc(C(=O)N(C)C)ccc1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 488838320 ZNGLLMKCKYVIGA-UHFFFAOYSA-N 440.481 4.071 5 20 IIBD Cn1c(SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)nnc1-c1cccc(Cl)c1 488908753 KTKDJQUWCJGPKD-UHFFFAOYSA-N 445.888 4.134 5 20 IIBD CCCc1c(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)cnn1-c1ccc(F)cc1 489744603 MBTYLNHJCCMHSU-UHFFFAOYSA-N 440.431 4.219 5 20 IIBD CN(Cc1cccc(NS(=O)(=O)c2ccccc2)c1)Cc1ccc([N+](=O)[O-])cc1F 491083061 FOZFLVPOALFABZ-UHFFFAOYSA-N 429.473 4.167 5 20 IIBD COc1cc(CCNC(=O)c2occc2CSc2ccccc2)c([N+](=O)[O-])cc1OC 495466428 JUBHCCRVZWQPKB-UHFFFAOYSA-N 442.493 4.470 5 20 IIBD COC(=O)COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c2ccccc12 497348040 SKXLXDOVLUYXKS-UHFFFAOYSA-N 446.362 4.154 5 20 IIBD Cc1nn(CCC(=O)N2CCCC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)c(C)c1[N+](=O)[O-] 498244564 UWYZZXNCVIJSTL-LJQANCHMSA-N 440.479 4.081 5 20 IIBD COC(=O)[C@@H](c1cccc(Br)c1)N(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 500360744 GQGYCBOPOQZCDX-QGZVFWFLSA-N 447.241 4.090 5 20 IIBD O=C(Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1)c1cccs1 501800105 PYXLCHHBGXIJAP-UHFFFAOYSA-N 437.886 4.363 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CCN2CCOCC2)cc1 504092412 GZMZPZZZQCTORH-UHFFFAOYSA-N 429.542 4.224 5 20 IIBD CCOc1ccc([C@@H](C)N[C@@H](c2cc(OC)cc(OC)c2)c2nccn2C)cc1[N+](=O)[O-] 504930753 SLEQVVJOUPYRHP-QRQCRPRQSA-N 440.500 4.184 5 20 IIBD COc1ccc([C@@H](NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C(F)(F)F)cc1 505395481 KMILHUKHYATYOZ-MRXNPFEDSA-N 430.404 4.367 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)c2ncc3c(n2)-c2ccccc2SC3)cc1C 508082343 GYKQFLSWCCUQPA-UHFFFAOYSA-N 442.522 4.099 5 20 IIBD COc1ccc(S(=O)(=O)N[C@H]2CCOc3c(-c4ccccc4)cccc32)c([N+](=O)[O-])c1 509639524 URORHWWHIVQWHY-IBGZPJMESA-N 440.477 4.073 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)cc([N+](=O)[O-])c1 509791450 ZKRYKXOYCGHTSN-KRWDZBQOSA-N 448.859 4.235 5 20 IIBD Cc1cc(-c2noc([C@@H](C)NC(=O)N(C)CCc3cccc([N+](=O)[O-])c3)n2)ccc1F 511575817 AHISXDZADIIZDH-CQSZACIVSA-N 427.436 4.037 5 20 IIBD COc1ccc(C(=O)Nc2cc(-c3cc(F)cc(Br)c3)[nH]n2)cc1[N+](=O)[O-] 512363195 PXVVYJZVZWKJMS-UHFFFAOYSA-N 435.209 4.147 5 20 IIBD O=C(c1cc(C(=O)N2CCc3cc(F)ccc32)cc([N+](=O)[O-])c1)N1CCc2cc(F)ccc21 512509452 QKNVGMOMGNQHAY-UHFFFAOYSA-N 449.413 4.279 5 20 IIBD C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 513197476 QSQPPHGVNXGWDX-SNVBAGLBSA-N 431.297 4.138 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)Nc1nc(-c2ccc(Br)cc2)cs1 514902378 YSZMZPQCQRQVBU-UHFFFAOYSA-N 434.271 4.498 5 20 IIBD O=[N+]([O-])c1ccccc1-c1ccc(CNc2cccc(S(=O)(=O)NC3CC3)c2)s1 514983085 LSWBXDZQVJPFSH-UHFFFAOYSA-N 429.523 4.376 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)ccc2C)c1 516337874 VBCVMOCQRMPUNJ-GJZGRUSLSA-N 425.485 4.282 5 20 IIBD O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCc1ccc(Oc2cc(Cl)cc(Cl)c2)cc1 516586934 ZMCCARNXULNUNC-UHFFFAOYSA-N 448.262 4.172 5 20 IIBD CC(C)(c1ccccc1)c1nnc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)s1 517365441 PHVBDORNIUSVAU-UHFFFAOYSA-N 434.481 4.210 5 20 IIBD Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cc1 523141553 VUWVGGHTRNZPCM-MZNJEOGPSA-N 446.507 4.371 5 20 IIBD COc1ccc([C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c2ccc(F)cc2)cc1 524641793 GBPVCDMGCSRZCL-NRFANRHFSA-N 430.457 4.119 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)Nc2cccnc2-c2ccc(Cl)s2)cc1[N+](=O)[O-] 527342223 PGMNWKBCLOVGLX-UHFFFAOYSA-N 437.886 4.028 5 20 IIBD CN([C@@H](c1ccncc1)c1ccc(Cl)cc1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 531381295 AQOJQKDJTPCOPC-GOSISDBHSA-N 435.864 4.192 5 20 IIBD CCc1noc(CC)c1CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1 531507084 LKUCRGVYBJICGQ-UHFFFAOYSA-N 425.441 4.439 5 20 IIBD O=[N+]([O-])c1cc(CNCCS(=O)(=O)c2ccc(F)cc2)ccc1Oc1ccc(F)cc1 532209254 MTKMWSWENRUTBY-UHFFFAOYSA-N 448.447 4.229 5 20 IIBD COc1cc(CNc2ccc3oc(=O)n(C)c3c2)ccc1OCc1ccc([N+](=O)[O-])cc1 532725766 VUNNKODRTCENJW-UHFFFAOYSA-N 435.436 4.239 5 20 IIBD CN(c1ccccc1)c1ccc(CNc2ccc(NS(C)(=O)=O)cc2)cc1[N+](=O)[O-] 533209059 BAGWDJYMMHUBPG-UHFFFAOYSA-N 426.498 4.346 5 20 IIBD CC(=O)N(c1ccc(F)cc1)c1nc(CN2CCc3ccc([N+](=O)[O-])cc3C2)cs1 533346087 YKKDROJBICWMAY-UHFFFAOYSA-N 426.473 4.433 5 20 IIBD O=C(c1cn(-c2ccc(Br)cc2)cn1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 533742711 JSBBUYXZSFWUNN-UHFFFAOYSA-N 441.285 4.348 5 20 IIBD COc1cc(NC(=O)CSCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc(OC)c1 534792487 BPUREDGBFYBTID-UHFFFAOYSA-N 429.454 4.139 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 536938283 FQRUECYXXHYAJF-DNVCBOLYSA-N 443.258 4.456 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2ncccc2-c2ccccc2)c1 538849293 WEYSYDZPDKMSIS-UHFFFAOYSA-N 434.271 4.220 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(OCc2cn3ccccc3n2)c1 539447077 VOCMAKMLQRFAIQ-UHFFFAOYSA-N 432.436 4.473 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCCO2 539806613 DTIRIBVXAQEHHF-CYBMUJFWSA-N 425.890 4.394 5 20 IIBD CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 540002568 SMZDGTFTMPIEFS-QRQCRPRQSA-N 440.475 4.102 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NC[C@@H](C)c2nccs2)c([N+](=O)[O-])c1 541621191 FNNZPMDFVCGANI-OAHLLOKOSA-N 446.554 4.482 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCNc2ncnc3scc(-c4ccccc4)c23)cc1 542555638 UUGVCEMCAUKPLK-UHFFFAOYSA-N 440.506 4.152 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 542564359 ZWBLGMGFNFHZIT-YJBOKZPZSA-N 437.265 4.075 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] 542677993 TYIRZQBJUBEZEK-YLJYHZDGSA-N 434.489 4.012 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)Nc1cccc(CSC2CCCC2)c1 543252593 RFUFPXUKDHBCEO-UHFFFAOYSA-N 443.525 4.034 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)Nc1cnc2c(c1)CCCC2)c1ccccc1[N+](=O)[O-] 543891243 ZMOOZLJDEPAFAQ-IBGZPJMESA-N 426.473 4.073 5 20 IIBD CC(C)S(=O)(=O)c1ccccc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 544079159 RMTACZGMRXUMSA-UHFFFAOYSA-N 428.919 4.161 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCc2sc(-c3csc(C)n3)cc2C1 544111427 SBYMLFMIWGLXMO-UHFFFAOYSA-N 444.538 4.365 5 20 IIBD O=[N+]([O-])c1cccc(/C=C/c2nc(-c3cc(C(F)(F)F)ccc3-n3cncn3)no2)c1 545763059 AZTLMAGJWNAFSL-QPJJXVBHSA-N 428.330 4.415 5 20 IIBD Cn1c(SCc2nc3cc(C(F)(F)F)ccc3o2)nc2cc([N+](=O)[O-])ccc2c1=O 546547833 OYZXTGRAPNKCQX-UHFFFAOYSA-N 436.371 4.294 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1noc(CCCOc2ccccc2Br)n1 547085125 NIDXPMQPNPSJEF-UHFFFAOYSA-N 447.289 4.407 5 20 IIBD COC(=O)c1c(F)cc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1F 549046401 XBZRCLSCKAQWIE-UHFFFAOYSA-N 433.289 4.000 5 20 IIBD CSc1cc2c(cc1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)OCCO2 550193062 BRTNHDOEDQELAF-UHFFFAOYSA-N 439.287 4.411 5 20 IIBD O=C(Nc1ccn2ccnc2c1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 552508780 ZVYFVTZIPGWVMG-UHFFFAOYSA-N 433.390 4.116 5 20 IIBD CC(C)(NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1)c1ccccc1[N+](=O)[O-] 553715023 ZSOYJOAHAOBAQE-UHFFFAOYSA-N 445.522 4.122 5 20 IIBD Cc1cccn(Cc2c(F)cccc2N[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1=O 558425251 VPAOXHQJGDQOMO-MRXNPFEDSA-N 438.459 4.082 5 20 IIBD CC(=O)N1C[C@H]2[C@@H](NC(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)CCC[C@H]2C1 565269202 HEMLLQBRVRPGGK-USCONSEESA-N 438.484 4.156 5 20 IIBD Cc1noc([C@H](NC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)C2CCOCC2)n1 570234037 CCCQMFXULBKCAW-LJQANCHMSA-N 448.545 4.322 5 20 IIBD CCc1cncc(C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)c1 574995377 TYSWHYFEFIXDFC-UHFFFAOYSA-N 436.537 4.239 5 20 IIBD Cc1ccc(Sc2ccc(CN3CCOC[C@@H]3[C@H]3CCC[C@H]3O)cc2[N+](=O)[O-])cc1 575034872 GMJBZAVUHLLMFC-CEMLEFRQSA-N 428.554 4.416 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@](F)(c2ccccc2F)C1 576448306 PPAAQACQOOAXPE-GOSISDBHSA-N 425.229 4.136 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CN3CCc4c(Br)ccc(F)c4C3)n2)cc1 583527056 MBAZVNWEVXYHAH-UHFFFAOYSA-N 433.237 4.105 5 20 IIBD CC(C)(Cc1ccc(Cl)cc1)Cc1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 589150497 UQMCTTZKKUWKMB-UHFFFAOYSA-N 442.903 4.302 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 604520810 SOYZERUGZOFOAU-AQOAWAETSA-N 427.501 4.030 5 20 IIBD COc1ccc(CNC(=O)C[C@H](NC(=O)c2ccc(C)cc2)c2ccccc2)cc1[N+](=O)[O-] 609228129 DJMPEFGJSJLVLA-NRFANRHFSA-N 447.491 4.089 5 20 IIBD Cc1ccccc1CN(C1CC1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 609418968 VQCIAEDEAXFJNP-UHFFFAOYSA-N 425.304 4.019 5 20 IIBD Cc1cc(Br)ccc1CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 609724699 HTIRBAHRJOYMQM-UHFFFAOYSA-N 427.682 4.404 5 20 IIBD CCOC(=O)c1c(NC(=O)Cc2cccc([N+](=O)[O-])c2)sc2c1CC(C)(C)NC2(C)C 610223309 ISPWNMFGGXLEAM-UHFFFAOYSA-N 445.541 4.174 5 20 IIBD Cc1ccc2[nH]c3c(c2c1)CN(S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])CC3 610260535 VOCILTSYKJHTJP-UHFFFAOYSA-N 440.308 4.438 5 20 IIBD Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)ccc1-n1cnnn1 610935155 IVYFHDYXUMFFLA-UHFFFAOYSA-N 438.494 4.344 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1scnc1-c1ccccc1 611343767 KJXZZFLYRQGYJO-UHFFFAOYSA-N 440.300 4.282 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC[C@@H](C[C@@H]4CCOC4)C3)cc2[N+](=O)[O-])C1 611356264 XBRNZMAMBIZREI-YRPNKDGESA-N 429.561 4.356 5 20 IIBD O=C(c1ccc(-c2ccco2)s1)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 614036458 JQGVPGAPTGWILB-UHFFFAOYSA-N 437.481 4.145 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 619477788 OWEBCXIXQAUMFB-UHFFFAOYSA-N 431.297 4.264 5 20 IIBD CC(C)c1nc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cs1 726687878 LFOQXOMBKBEOGV-VIFPVBQESA-N 431.392 4.378 5 20 IIBD COc1cc(C)ccc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727591461 VPSDNSKKXTXAPJ-UHFFFAOYSA-N 438.406 4.285 5 20 IIBD C[C@@H](CN1CCOCC1)NC(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34 727756232 WIZQVVIQPGZGFG-SFHVURJKSA-N 428.532 4.384 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])cn1)O[C@H](Cc1ccccc1)c1ccc(Br)cc1 727965359 STNWKMHBODMICE-GOSISDBHSA-N 430.258 4.081 5 20 IIBD COc1ccccc1N1C(=O)/C(=C\c2ccc(OC)c([N+](=O)[O-])c2)c2ccccc2C1=O 730151280 JHDXWPIPXONZHB-AQTBWJFISA-N 430.416 4.340 5 20 IIBD O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccnc1Sc1ccccc1 731503284 XBNHRLFUZJDXIY-LJQANCHMSA-N 435.461 4.103 5 20 IIBD C[C@@H](Oc1ccc(C(=O)O[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cn1)c1ccccc1 731512573 LBKBTCOVCQEZNY-IIBYNOLFSA-N 447.447 4.092 5 20 IIBD CC1CCN(c2ccc(C(=O)N(C)c3ccc(OCCN(C)C)cc3)cc2[N+](=O)[O-])CC1 732005818 GQRRTESQWBETRG-UHFFFAOYSA-N 440.544 4.048 5 20 IIBD CC(C)n1c(S)nnc1[C@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 732169529 QOMGASIWSCQUOW-LBPRGKRZSA-N 431.543 4.290 5 20 IIBD COc1cc(C(=O)N[C@H](C)c2nc3ccc(Cl)cc3[nH]2)c([N+](=O)[O-])cc1OC(F)F 732544649 RPWMZFSSHFVPHB-MRVPVSSYSA-N 440.790 4.226 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] 732969507 ZJPIZPWUOZEHMD-INIZCTEOSA-N 445.451 4.130 5 20 IIBD CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 733106759 DCQOEKYNUXOJIF-UHFFFAOYSA-N 440.725 4.215 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 734974879 CEEMFXIHXQCEBA-ZDUSSCGKSA-N 435.839 4.375 5 20 IIBD O=[N+]([O-])c1cccc(/C(O)=C(/C(=S)NCc2cccs2)[n+]2cccc(O)c2Cl)c1 735666500 MOTDKINSAQZZNG-UHFFFAOYSA-O 448.933 4.304 5 20 IIBD C[C@@H]1c2c(F)cccc2CCN1C(=O)c1ccc(I)c([N+](=O)[O-])c1 737698361 APZJSKLKUQQTRD-SNVBAGLBSA-N 440.212 4.098 5 20 IIBD CC(=O)Nc1cccc(N=c2scc(-c3cnn(C)c3)n2Cc2cccc([N+](=O)[O-])c2)c1 741154859 KNLIGKQSUFODGK-UHFFFAOYSA-N 448.508 4.097 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N(C)c2ccccc2C(=O)N(C)CCc2ccccc2)c1 741947467 QJOXOTYMAGWUOO-UHFFFAOYSA-N 447.491 4.195 5 20 IIBD Cc1ccc(C(=O)O[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)c(O)n1 744556531 VLDJKGLYFSHMSQ-SFHVURJKSA-N 441.827 4.194 5 20 IIBD C[C@H]1CCN(CCOc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)cc2)C1 744744293 ZZZNRQYQSDIBGV-SFHVURJKSA-N 438.528 4.168 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc2nc(Cl)sc2c1 746637151 GZFPMGLJACQFKQ-UHFFFAOYSA-N 425.919 4.457 5 20 IIBD C[C@@H](Sc1ccc(Br)cc1[N+](=O)[O-])C(=O)Nc1ccccc1[N+](=O)[O-] 749134480 IKIIWFPYIWSVEI-SECBINFHSA-N 426.248 4.385 5 20 IIBD O=C(COC(=O)c1cccc(Cl)c1[N+](=O)[O-])N[C@@H](c1ccccc1)c1cccs1 750536701 UXQNBFBNLYZIHV-SFHVURJKSA-N 430.869 4.372 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1nnn(-c2ccccc2F)c1C(F)(F)F 751062180 DHOIZQLWICVYHR-UHFFFAOYSA-N 429.717 4.239 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1ccn(-c2c(F)cccc2F)n1 751654984 TUIKLPCKUWXQQO-UHFFFAOYSA-N 445.425 4.362 5 20 IIBD O=C(COC(=O)c1c(F)ccc([N+](=O)[O-])c1F)Nc1ccc(N2CCCCCC2)cc1 752558617 IJBUVWSMNOMQIV-UHFFFAOYSA-N 433.411 4.049 5 20 IIBD COc1cc(C(C)=O)c(OC)cc1OC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 753207141 MGYZTJUWZCMORE-UHFFFAOYSA-N 438.230 4.105 5 20 IIBD O=C(COC(=O)c1c[nH]nc1-c1cccc(Cl)c1)Nc1cc([N+](=O)[O-])ccc1Cl 756604010 VGVRVTNVBHXQCZ-UHFFFAOYSA-N 435.223 4.087 5 20 IIBD COc1ccc(OC2CCN(C(=O)c3cccc([N+](=O)[O-])c3Br)CC2)cc1 758087492 LFIOIUUQLHPSAE-UHFFFAOYSA-N 435.274 4.050 5 20 IIBD Cc1c(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)cnn1C 759763241 NVGBYXWUBIJYCO-UHFFFAOYSA-N 447.539 4.026 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCCc2ccc(Cl)nc2)cc1 760688145 JVDHDSGSDZFVMA-UHFFFAOYSA-N 427.844 4.417 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(C3CCCCC3)s2)c(Br)c1 761342301 IQBDPDKITVWEON-UHFFFAOYSA-N 447.336 4.057 5 20 IIBD C[C@H](Cc1nc(Cc2ccccc2[N+](=O)[O-])no1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 761343556 IKKNSADTUWHRHL-NVXWUHKLSA-N 430.505 4.394 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@H](C)Sc1nc2ccccc2s1 762906584 HYDILLGUJGQHNM-LBPRGKRZSA-N 431.495 4.175 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])c2nsnc2c1)C(=O)Nc1cc(Cl)ccc1Cl 762967358 IXBVXVZSJWOAQK-SSDOTTSWSA-N 441.252 4.090 5 20 IIBD CC(C)(C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc([N+](=O)[O-])cc1F 762987078 CKYHHOLFSZIAJB-UHFFFAOYSA-N 429.360 4.318 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCN(c3ccccc3C)CC2)c1=S 764859325 ILAZVDNRNMBNRR-UHFFFAOYSA-N 438.557 4.097 5 20 IIBD CSc1cccc(C(=O)N2CCC(O)(c3ccccc3C(F)(F)F)CC2)c1[N+](=O)[O-] 765633266 FWPVCAWYGJWTBC-UHFFFAOYSA-N 440.443 4.459 5 20 IIBD COc1ccc(Cl)cc1N1CC[C@H](NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 765645218 PVSFCWQGWNBYJZ-SFHVURJKSA-N 430.936 4.094 5 20 IIBD C[C@H]1C[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCN1C(=O)OC(C)(C)C 772248201 RNZHBIUQYGPMDX-NWDGAFQWSA-N 444.435 4.106 5 20 IIBD CC[C@H](OC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1cc(C)ccc1OC 772496323 SCJJPBIZPMJDEU-KRWDZBQOSA-N 442.497 4.500 5 20 IIBD CCC1(O)CCC(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 772881560 PWKTWYRYEYLTAW-UHFFFAOYSA-N 445.903 4.314 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cc1Cl 774517024 LKPZIWHQWPOXBZ-ZDUSSCGKSA-N 441.912 4.118 5 20 IIBD CCOC(=O)c1cc(N[C@H](C)c2cc(F)ccc2N2CCC(O)CC2)ccc1[N+](=O)[O-] 774528972 HUGBIKYIWVQYKE-CQSZACIVSA-N 431.464 4.045 5 20 IIBD CC(C)(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)OCc1ccccc1 777262834 WXOFIUUSIXOZIE-QGZVFWFLSA-N 449.301 4.245 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc(CC(=O)O[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 777332117 FARGOWUJENZNKN-ZWKOTPCHSA-N 444.488 4.408 5 20 IIBD Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1cc([N+](=O)[O-])c2nsnc2c1 778234928 UAYGNYYXJSFQSY-UHFFFAOYSA-N 433.449 4.413 5 20 IIBD C[C@H](OC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C(=O)Nc1ccccc1Cc1ccccc1 778897301 XBECZTYYJZFRGB-HNNXBMFYSA-N 448.431 4.098 5 20 IIBD COC(=O)[C@@H](NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)c1cc(F)ccc1F 779178418 KGWPIIWYPBIGKI-FQEVSTJZSA-N 432.379 4.146 5 20 IIBD O=C1NCC2(CCN(C(=O)c3ccc([N+](=O)[O-])c(Sc4ccc(Cl)cc4)c3)CC2)O1 781847080 AXWXYNPYVWDOAO-UHFFFAOYSA-N 447.900 4.114 5 20 IIBD Cc1ccsc1CNC(=O)COC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 787251786 HQXFIBWIMBSABH-UHFFFAOYSA-N 440.477 4.017 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1cc(F)c(F)cc1[N+](=O)[O-] 789043315 QDMSBFHGKFHSFX-OAHLLOKOSA-N 431.178 4.142 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Oc2cccc3ccc(Cl)nc23)c(C)c1[N+](=O)[O-] 790884292 UOBHBJDDAZBMJW-UHFFFAOYSA-N 437.817 4.089 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)c1ccc(NC(=O)Nc2ccccc2)cc1 791326120 DMBNZJYXOAEXJZ-ZDUSSCGKSA-N 437.431 4.451 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F 795094970 FLFYZLOGKSJTEC-CQSZACIVSA-N 430.404 4.148 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC(n2c(C)nc3ccccc32)CC1 795272300 HELKALVZUPPTNV-UHFFFAOYSA-N 448.932 4.241 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccc(Br)cn1 795846000 IMDKRCBMSNIDLN-QMMMGPOBSA-N 429.068 4.006 5 20 IIBD CC(C)(C)OC(=O)NCC[C@@H]1CCCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 799581734 FNPFBEOTGSDHJC-KRWDZBQOSA-N 429.521 4.043 5 20 IIBD O=C(N[C@@]1(Cc2ccc(Cl)cc2)CCOC1)c1cc([N+](=O)[O-])ccc1Br 800344721 JZZIGESUUSUZNJ-GOSISDBHSA-N 439.693 4.142 5 20 IIBD O=[N+]([O-])c1cccc(Br)c1OS(=O)(=O)c1c(Cl)ccc(F)c1F 805041518 FCTPWAPXBUNNGG-UHFFFAOYSA-N 428.594 4.057 5 20 IIBD CN(Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H](C(N)=O)c1cccc(Br)c1 809969848 DNKCLKZUMVRYDO-HNNXBMFYSA-N 447.116 4.323 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N1CC2(CCCC2)c2ccccc21 810405186 RCPRITTZSMLIOA-UHFFFAOYSA-N 444.285 4.154 5 20 IIBD O=C(NCCOC(=O)c1nc2ccccc2cc1Cl)c1ccc([N+](=O)[O-])cc1Cl 810549127 ITQROOHPLIOQQY-UHFFFAOYSA-N 434.235 4.037 5 20 IIBD CC(C)(C)c1noc(CCCC(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 811217135 VENTUUYVGIFWCQ-UHFFFAOYSA-N 430.486 4.465 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([C@H](O)c2ccc(OC)cc2)CC1 812630489 AZQQEWSKABCROU-FDDCHVKYSA-N 426.513 4.144 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 813245373 AMFSJRSXLDQDFW-ATVHPVEESA-N 436.815 4.132 5 20 IIBD CC(C)c1c(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cnn1-c1ccc(C(F)(F)F)cn1 819911070 VYMGYSNXZBUNIJ-UHFFFAOYSA-N 434.378 4.152 5 20 IIBD O=C(COC(=O)CCc1ncc(-c2ccccc2Cl)o1)Nc1ccccc1[N+](=O)[O-] 829505759 OAPXJYAWOVLZEG-UHFFFAOYSA-N 429.816 4.018 5 20 IIBD COc1cc(NC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)ccc1NC(=O)OC(C)(C)C 918037056 HOOGULKDUUYDHU-UHFFFAOYSA-N 446.460 4.281 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)cc1[N+](=O)[O-] 918382404 JJLXQVMNDIZOEH-UHFFFAOYSA-N 441.419 4.045 5 20 IIBD CCOc1cc(C(=O)O[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c([N+](=O)[O-])cc1OC 918904036 YJSLFBFPSNELPR-LBPRGKRZSA-N 445.403 4.418 5 20 IIBD Cc1ccc(C(=O)N(C)C)cc1OC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 920115342 CDCOMCCUKZONSZ-MRXNPFEDSA-N 448.479 4.392 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1sccc1C(=O)NC1CC1 921014781 GTXABWRBQLYKKQ-UHFFFAOYSA-N 445.444 4.298 5 20 IIBD COc1ccccc1C1(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCC1 1257490018 LRWKLMILIDMMCQ-UHFFFAOYSA-N 445.313 4.373 5 20 IIBD O=C(OCC(=O)c1ccc(Br)s1)c1ccc(Br)c([N+](=O)[O-])c1 1317693168 DQCIOLYXNQMRMH-UHFFFAOYSA-N 449.076 4.221 5 20 IIBD C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 1319815381 HPRQROCVVRZVTD-CYBMUJFWSA-N 449.916 4.349 5 20 IIBD O=C(NCc1ccc(-n2cnc3ccccc32)nc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 1324604650 MMXGEGAUAVDLRF-UHFFFAOYSA-N 442.479 4.203 5 20 IIBD O=C(OCc1ccccc1)N1CCC(c2nnc(COc3ccccc3[N+](=O)[O-])o2)CC1 1326072691 LYOFKRFNXAFOPX-UHFFFAOYSA-N 438.440 4.073 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2nc(C)c(C)o2)c([N+](=O)[O-])c1 1337476382 XQQNTJOLDFHRSV-UHFFFAOYSA-N 430.486 4.027 5 20 IIBD COCCCC(=O)Nc1ccc(C2(NC(=O)c3c(F)ccc([N+](=O)[O-])c3C)CCC2)cc1 1786048421 YARTXXVBMVHBJH-UHFFFAOYSA-N 443.475 4.217 5 20 IIBD CC(=O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)CCC1 1790620907 BQLNFGXDBRXRMA-UHFFFAOYSA-N 441.459 4.097 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)NC1(c2ccc(NC(=O)[C@@H]3CCCS3)cc2)CCC1 1792009548 NTSQAJLOPIXPBH-LNENJAERSA-N 441.509 4.231 5 20 IIBD Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c(F)ccc([N+](=O)[O-])c2C)C3)c1F 1792728111 BHCIJGFOGQDDKD-MUJYYYPQSA-N 443.450 4.055 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(F)c1[N+](=O)[O-])c1cc2ccccc2o1 1800529292 VKVJJPIICKNQDW-MUJYYYPQSA-N 437.427 4.046 5 20 IIBD Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccc([N+](=O)[O-])o3)CC2)o1 1824275472 AFDATFXLYBFVGX-AIADIJKESA-N 441.484 4.036 5 20 IIBD CC[C@H]1CC[C@H](C(=O)N2CCCC23CN(C(=O)c2c(F)ccc([N+](=O)[O-])c2C)C3)CC1 1846215625 DEAIRTCBFIKUDA-QAQDUYKDSA-N 431.508 4.076 5 20 IIBD CC(C)CCn1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O 11207842 ARXUVJQWRCENBM-HNNXBMFYSA-N 440.525 4.470 5 20 IIBD CC(=O)c1ccc(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c([N+](=O)[O-])c1 15168047 HVXADSGQOVUEAP-UHFFFAOYSA-N 428.798 4.191 5 20 IIBD Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc12 15924537 RDMUEHZBSIGLPX-UHFFFAOYSA-N 447.520 4.266 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1C(=O)O[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 18018101 PTPOAJHFDMMROE-NSHDSACASA-N 447.419 4.489 5 20 IIBD O=C(CSc1nc(-c2ccccc2)cs1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 21466594 IULGINBYSOYUDP-UHFFFAOYSA-N 440.550 4.159 5 20 IIBD CSc1ccc(C(=O)O[C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-] 22162231 LOKZCDVIGFIDLT-CHWSQXEVSA-N 428.466 4.486 5 20 IIBD Cc1c(NC(=O)[C@H](C)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] 26333215 SYLDDBOQBCZVGY-LBPRGKRZSA-N 439.299 4.108 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCc1cccc(Oc2ccccc2)c1 31795816 LLNUUTOTJQJTTE-UHFFFAOYSA-N 447.447 4.392 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2cccc(NC(C)=O)c2)cc1 32361364 GSGOPVDZGBGDKK-UHFFFAOYSA-N 435.436 4.284 5 20 IIBD CC(=O)N1CCc2cc(NC(=O)c3ccc(N4C[C@@H](C)C[C@@H](C)C4)c([N+](=O)[O-])c3)ccc21 60670321 UGJFJLTXEAFMAN-IYBDPMFKSA-N 436.512 4.238 5 20 IIBD Cc1ccc(CNC(=O)c2ccccc2NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 69580099 FVSBPZZNCDSFNP-UHFFFAOYSA-N 432.480 4.192 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N(C)Cc3cccnc3)c([N+](=O)[O-])c2)c(C)c1 98065882 SMLSLURCQQWTJS-UHFFFAOYSA-N 426.498 4.044 5 20 IIBD Cc1ccc(NC(=O)c2ccccc2SCc2nnnn2-c2ccccc2)cc1[N+](=O)[O-] 105004656 POBFNYRESGXGGA-UHFFFAOYSA-N 446.492 4.424 5 20 IIBD COc1cc(CNC[C@H]2CCCN(C(C)C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 237277053 HMXIUFSBBQYTAW-HXUWFJFHSA-N 427.545 4.392 5 20 IIBD O=C(Cn1ccc([N+](=O)[O-])n1)Nc1nc2cc(Cl)ccc2n1CCCc1ccccc1 303144700 FAKRHHUOQNWSLT-UHFFFAOYSA-N 438.875 4.066 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCO[C@@H](c4ccccc4F)C3)cc2[N+](=O)[O-])C1 303160255 HLPXSCNTZLEONT-SAHWJRBASA-N 441.503 4.430 5 20 IIBD CC(C)(CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1cccc(Cl)c1 303421256 CTFZUBCZDIRJKP-HNNXBMFYSA-N 435.933 4.008 5 20 IIBD CC(C)(C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1csc(-c2cccs2)n1 409956914 DFSDZJJCMDIWID-UHFFFAOYSA-N 431.543 4.118 5 20 IIBD C[C@H](C1CC1)n1cc(NC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cn1 429647620 RLQUNHJMQCMLKU-LLVKDONJSA-N 426.399 4.015 5 20 IIBD Cc1cc(OCC(=O)Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)ccc1[N+](=O)[O-] 430685302 QOTIBTKANQYUSA-HKBQPEDESA-N 438.505 4.370 5 20 IIBD O=C(Nc1nnc([C@@H]2CCCc3ccccc32)s1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 432602287 QEOIHZZOVFEQRO-LJQANCHMSA-N 446.492 4.353 5 20 IIBD CN(C)CCn1ccc2ccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)cc21 432660611 UDFBFBXRFFUWMY-UHFFFAOYSA-N 431.290 4.126 5 20 IIBD CC(C)c1[nH]nc(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)c(Cl)c2)c1[N+](=O)[O-] 434229057 QROFKQIFNGPOBO-LBPRGKRZSA-N 433.896 4.362 5 20 IIBD COc1cccc(C(=O)NCc2cccc(NC(=O)Nc3cccc(C)c3)c2)c1[N+](=O)[O-] 435565052 JGSGYYSDCOUSTH-UHFFFAOYSA-N 434.452 4.486 5 20 IIBD O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 436234364 XALSUNDQIHBLOU-KRWDZBQOSA-N 431.561 4.385 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1O 436681063 QEEWWDUPGDTMNY-UHFFFAOYSA-N 441.390 4.103 5 20 IIBD Cc1nc(O)cc(-c2ccc(NC(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)cc2)n1 437744251 JYNFVKJLAKLPCN-UHFFFAOYSA-N 449.467 4.141 5 20 IIBD Cc1ccc(NC(=O)C(=O)Nc2cccc(COCCc3ccccc3)c2)cc1[N+](=O)[O-] 438719308 FRKRBJRALKHTBR-UHFFFAOYSA-N 433.464 4.240 5 20 IIBD Cc1nc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)ccc1[N+](=O)[O-] 440413016 WOBMGWBACGJBAG-UHFFFAOYSA-N 425.754 4.408 5 20 IIBD COC(=O)c1cc(OCc2ccnc(-c3ccc(Br)cc3)n2)ccc1[N+](=O)[O-] 440880283 MDMBMUBXTSNXHZ-UHFFFAOYSA-N 444.241 4.180 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCC[C@H]2c2ccc(C)cc2)cc1OC 443898539 RETONMSLNLQGDL-AZUAARDMSA-N 442.512 4.345 5 20 IIBD CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C 443954900 DIGDDKQZFPOWPN-UHFFFAOYSA-N 427.505 4.006 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F 443973268 YTVBMUFFBNOHHK-AWEZNQCLSA-N 426.775 4.110 5 20 IIBD C[C@H]1C[C@@H](NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CN1Cc1ccccc1 444224481 JVIQLRDKBNOVNJ-FUHWJXTLSA-N 429.495 4.213 5 20 IIBD COC(=O)CCCN(Cc1ccccc1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 444233915 CLNKMRHLHMSNJZ-UHFFFAOYSA-N 428.488 4.277 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(C3(c4ccccc4)CCOCC3)n2)c(Br)c1 445237956 VLLRCOLVAZHSGR-UHFFFAOYSA-N 444.285 4.428 5 20 IIBD O=C(CCCCOc1ccc(Br)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 446441339 WEWYSRVRUXSTSE-UHFFFAOYSA-N 433.302 4.491 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(F)cc2)c(Br)c1 446946731 BEWXXOKHWBHLBM-HNNXBMFYSA-N 429.267 4.022 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OC3CCCC3)nc2)c(C(F)(F)F)c1 447010821 MOTYVQGWKNOCSK-UHFFFAOYSA-N 431.392 4.131 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)O)cc1S(=O)(=O)N(Cc1ccsc1)c1ccccc1 447323881 HVGFMQCBBGAHIM-UHFFFAOYSA-N 432.479 4.058 5 20 IIBD CC(C)(C(=O)NCc1cc(Br)cc2c1OCC2)c1ccc([N+](=O)[O-])cc1F 462203540 PZANGWNKJMYUQJ-UHFFFAOYSA-N 437.265 4.025 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 462920295 QTYNFYKJZXQPCM-UHFFFAOYSA-N 445.344 4.177 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1 463954929 LFZQANLIQXZBTE-FQEVSTJZSA-N 432.908 4.060 5 20 IIBD Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 463956975 DWMDTGPUEYJJQR-OAHLLOKOSA-N 434.827 4.046 5 20 IIBD CN1CCC(N(C[C@@H]2C[C@H]3C=C[C@H]2C3)C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 464693509 UPLDAPDGMCWRTA-JYJNAYRXSA-N 437.462 4.362 5 20 IIBD CC[C@@H](NC(=O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Cl)cc1 464772152 GBIOFMAFHOLADY-OAQYLSRUSA-N 431.920 4.359 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1c(OC(C)C)ccc2ccccc12 468939276 JBYZKCQHOZRAIR-LJQANCHMSA-N 439.516 4.084 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1C[C@@H](c2ccccc2)c2ccccc21 470215287 UXAKSYBNYAMTII-NRFANRHFSA-N 429.476 4.224 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2cccc(CCC(=O)O)c2)cc1[N+](=O)[O-])c1ccccn1 473962375 VHDWBURAPHVVES-OAHLLOKOSA-N 434.452 4.432 5 20 IIBD CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F 474397719 RFFHSHSEGRPZEV-HNNXBMFYSA-N 445.491 4.490 5 20 IIBD COC(=O)COc1ccc(CN2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1[N+](=O)[O-] 475095313 SOLNIYHRYFRBCI-MRXNPFEDSA-N 438.402 4.155 5 20 IIBD COc1c(C(=O)NCc2ccc(-n3nc(C)cc3C)cc2C(F)(F)F)cccc1[N+](=O)[O-] 475185301 VAHRUTMZKJWVPS-UHFFFAOYSA-N 448.401 4.355 5 20 IIBD CC(=O)N(c1ccc(C)cc1)c1nc(CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cs1 477036068 RZHCFIXOLOUWFZ-UHFFFAOYSA-N 431.495 4.018 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(CCN2CCSCC2)cc1 477524973 CZSQBEONLPTBQR-UHFFFAOYSA-N 448.976 4.204 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 479211678 FWBJANJSDAACTR-MRXNPFEDSA-N 449.913 4.342 5 20 IIBD COc1c(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])sc(C)c1Br 479351743 WICFDGREYSEZJE-UHFFFAOYSA-N 433.711 4.362 5 20 IIBD CC(C)(C)[C@@H]1C[C@@H](NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CCO1 480945275 LQETXKVEKOBVOY-ZBEGNZNMSA-N 441.315 4.411 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 481379668 XLGGUBIJOCVKSU-SFHVURJKSA-N 442.497 4.178 5 20 IIBD C[C@H](c1nc(-c2ccccc2)no1)N1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 484796964 WQJGNIHULGXBJK-MRXNPFEDSA-N 430.468 4.076 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(-c3ccccn3)cc2)ccc1[N+](=O)[O-] 485145450 LPNNCXFOBMMRII-JOCHJYFZSA-N 430.464 4.209 5 20 IIBD CC[C@H](C(=O)N1CCC(Nc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1)c1ccccc1 485826037 HPXFKYRSUSJPME-FQEVSTJZSA-N 435.484 4.242 5 20 IIBD Cc1ccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1OC(C)C 488468686 SLUQQLIEAITJEG-UHFFFAOYSA-N 427.486 4.222 5 20 IIBD CCOc1ccc(-n2c(SCCn3cc([N+](=O)[O-])cn3)nnc2-c2cccs2)cc1 489682866 RSKQWJWGAPYFQA-UHFFFAOYSA-N 442.526 4.292 5 20 IIBD COc1ccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1NC(=O)c1ccc(Cl)cc1F 489843494 OZGSUUQGAKIWBT-UHFFFAOYSA-N 432.795 4.229 5 20 IIBD Cc1c(NC(=O)[C@@H](C)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cccc1[N+](=O)[O-] 490020103 WHIYBAJUUMKHQH-HZPDHXFCSA-N 428.558 4.445 5 20 IIBD O=C(NCCn1c(O)nc2ccccc21)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 490122163 FBJYTVFXOJTPFT-UHFFFAOYSA-N 434.477 4.231 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)NCc1ccc(Br)cc1C(F)(F)F 490155658 RPBLNBJHEDMBDB-UHFFFAOYSA-N 435.171 4.374 5 20 IIBD CCOc1cc(C(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c([N+](=O)[O-])cc1OC 491099352 FGZYRYPOBOKUMX-CQSZACIVSA-N 445.541 4.357 5 20 IIBD COc1ccc(CNC(=O)c2cccnc2SCc2ccc(F)cc2)cc1[N+](=O)[O-] 491195697 LOVFEZIYFOHLBK-UHFFFAOYSA-N 427.457 4.360 5 20 IIBD COC(=O)c1cc(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCCO2)cc([N+](=O)[O-])c1 494232046 XIJSWKBGFOKSFL-KRWDZBQOSA-N 448.859 4.235 5 20 IIBD CC(C)(C)S(=O)(=O)N1CCC(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 494850441 LAHWUHZUKHEVLA-UHFFFAOYSA-N 437.587 4.006 5 20 IIBD O=C(Nc1cc(Cl)c(F)c(Cl)c1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 494887255 SHNQOSBBHWRPMD-UHFFFAOYSA-N 441.246 4.031 5 20 IIBD CC(C)Oc1cc(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)ccn1 502180200 MIGWSNITGPMRHV-INIZCTEOSA-N 435.484 4.275 5 20 IIBD O=[N+]([O-])c1cccc(NS(=O)(=O)c2csc(-c3cccc(Br)c3)n2)c1 502903470 NORZTNOBENUVAL-UHFFFAOYSA-N 440.300 4.282 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F 503480617 VSXJTRBJKRTROL-UHFFFAOYSA-N 438.463 4.383 5 20 IIBD CC(C)CCSc1ccc(C(=O)NCCCc2nnc3ccccn23)cc1[N+](=O)[O-] 503735454 HWXHFBWKHZXTMZ-UHFFFAOYSA-N 427.530 4.138 5 20 IIBD COc1cc(CN2CCC[C@H]2Cn2cnc3ccccc32)c([N+](=O)[O-])cc1OCC(F)F 505607605 UURZLRUKCBDIBW-INIZCTEOSA-N 446.454 4.262 5 20 IIBD Cc1ccc(CNC(=O)c2nnc(COc3cc(C)c([N+](=O)[O-])cc3Cl)s2)cc1 506548846 XFMMNRSFWJGSMZ-UHFFFAOYSA-N 432.889 4.226 5 20 IIBD COc1cc(C(=O)Nc2ccc(OCc3cccnc3)c(Cl)c2)c([N+](=O)[O-])cc1OC 509339339 VTVBINDOGDMDNG-UHFFFAOYSA-N 443.843 4.492 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 509719561 MWOMBCIDDSZCRQ-LJQANCHMSA-N 430.574 4.489 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 510658132 NARYDFOIGZLYAH-MRXNPFEDSA-N 435.864 4.136 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 511143056 ZYTPWDWODNUKBV-IBGZPJMESA-N 438.509 4.102 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)Nc2ccccc2OC[C@H]2CCCCO2)cc1[N+](=O)[O-] 511732876 BNAYBXCFXDJETQ-CQSZACIVSA-N 440.905 4.305 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2Cl)C2CCCC2)cc1[N+](=O)[O-] 513411277 SDQPLGUITYAPST-UHFFFAOYSA-N 436.917 4.237 5 20 IIBD CC(C)(Cc1ccc(Cl)cc1Cl)NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 513833561 FBZHNKXJYGGRNV-UHFFFAOYSA-N 445.324 4.056 5 20 IIBD COc1cc(CCNC(=O)N[C@H]2CCC(C)(C)c3ccccc32)c([N+](=O)[O-])cc1OC 514030276 DBPVZTBCBLPUQX-SFHVURJKSA-N 427.501 4.266 5 20 IIBD O=C(N[C@H](c1c[nH]c2ccccc12)C(F)(F)F)c1ccn(-c2ccccc2[N+](=O)[O-])n1 518414250 DJSGLQOTCQSFTK-GOSISDBHSA-N 429.358 4.295 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCCNC(=O)c3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 518758622 FHIFAAFSCPAJQF-UHFFFAOYSA-N 436.443 4.137 5 20 IIBD CC(C)Sc1ccc([C@H](C)NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 519060548 WGWINDNTFZYMDB-INIZCTEOSA-N 429.546 4.083 5 20 IIBD COc1cc(C(=O)N[C@H]2CCc3ccc(F)cc32)c([N+](=O)[O-])cc1OCc1cscn1 520731162 BOKDUAYDSCYWLP-KRWDZBQOSA-N 443.456 4.195 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCc2ccc(-c3ccccc3)o2)ccc1[N+](=O)[O-] 522596111 OPQPCRXEPWRWFK-NRFANRHFSA-N 433.464 4.084 5 20 IIBD CC(C)[C@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccncc2)no1 523980643 QJYFXRNKUCGRPG-GUYCJALGSA-N 427.486 4.034 5 20 IIBD O=C(c1cnc(-c2ccc3c(c2)OCO3)s1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 525105506 YDFDOZFOIZTEGE-HXUWFJFHSA-N 441.490 4.335 5 20 IIBD NC(=O)C1CCN(CCc2ccc(NCc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)CC1 532889673 CBWPSKDGLWYAEU-UHFFFAOYSA-N 448.523 4.207 5 20 IIBD CCn1cc(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Nc2cccc(C(F)(F)F)c2)cn1 534009867 UIKDITMMHHWCER-UHFFFAOYSA-N 447.373 4.395 5 20 IIBD Cc1c(CNC(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)cnn1C 534745390 KWWQBRJBBURSRE-BOPFTXTBSA-N 447.520 4.494 5 20 IIBD C[C@@H](C(=O)Nc1ccc(Cl)cc1)[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534796393 PZOVLIYMXIGXEF-AOAWJKDVSA-N 433.873 4.179 5 20 IIBD CC1(C)C[C@@H](NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C(C)(C)O1 537592567 MLABMFFLFAKTML-QGZVFWFLSA-N 443.466 4.292 5 20 IIBD O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 538981588 TZBMUAIYNXBSBE-UHFFFAOYSA-N 431.399 4.484 5 20 IIBD C[C@@H](CCc1ccccc1[N+](=O)[O-])NCc1ccc(Br)cc1N1CCOCC1 539061122 WCOOEBSIGJAALS-INIZCTEOSA-N 448.361 4.305 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC=C(c2ccc3c(c2)OCCO3)CC1 540048743 ZZTPCJWLPLNLCR-HNNXBMFYSA-N 434.452 4.266 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 542569248 OFTLUKYNBZXJSL-VQIMIIECSA-N 434.489 4.123 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCc1nc(-c2ccc(F)cc2)no1 544059120 QGMRAEBGSQYNLD-UHFFFAOYSA-N 430.461 4.259 5 20 IIBD CN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](c1cccc(F)c1)c1cnn(C)c1 544080404 OOINQCXOKYBWGC-FQEVSTJZSA-N 448.907 4.461 5 20 IIBD COc1ccc(CCc2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)cc1Br 545854205 FJKMLMXPNXTLCI-UHFFFAOYSA-N 432.274 4.433 5 20 IIBD Cc1cc(-c2nc(Cc3cc(Br)c4c(c3)OCCO4)no2)ccc1[N+](=O)[O-] 546367170 QPFDSRLPCZXWHZ-UHFFFAOYSA-N 432.230 4.078 5 20 IIBD Cc1csc(Sc2ccc(-c3nc(CC(=O)OC(C)(C)C)no3)cc2[N+](=O)[O-])n1 546600704 MJIJMIPMKCSEMQ-UHFFFAOYSA-N 434.499 4.445 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3cccc4cnccc34)no2)c(I)c1 547201875 MNKSECWEQSDJFL-UHFFFAOYSA-N 444.188 4.465 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)cc1[N+](=O)[O-] 552929368 GVAGDNBQGWQWFT-GUDVDZBRSA-N 449.536 4.283 5 20 IIBD COc1cc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2(C)C)cc([N+](=O)[O-])c1OC 554328319 QWDYGWMYMAMNMO-UHFFFAOYSA-N 433.892 4.006 5 20 IIBD Cc1ccc(NC(=O)N2CCN(C(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1Cl 559357830 FAEZCEDNCYJNCT-HNNXBMFYSA-N 430.892 4.036 5 20 IIBD CC(C)c1ccc(C(=O)N2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)cc1[N+](=O)[O-] 560968155 NVDVPJOGHFOZOI-OAQYLSRUSA-N 437.540 4.462 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 560994402 OXJBASKDXLYSNS-UHFFFAOYSA-N 429.561 4.241 5 20 IIBD O=C(Nc1cccc(N2C(=O)CNC2=O)c1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 566541363 GOFQNDLNGDMXDZ-UHFFFAOYSA-N 448.460 4.055 5 20 IIBD Cc1ccc(-c2noc(-c3ccc([N+](=O)[O-])cc3Br)n2)c(N2CCOCC2)c1 569045878 OEKLFNQNZSPNIS-UHFFFAOYSA-N 445.273 4.219 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(c2c[nH]c3ccc(F)cc23)CC1 572629263 NIUSJUUXPASBNH-UHFFFAOYSA-N 440.475 4.432 5 20 IIBD COCc1nc(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c(-c2ccccc2)s1 572829607 OLCHRYIVUKCPPY-UHFFFAOYSA-N 433.436 4.002 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 577554721 DZETWABAXJDFLO-UHFFFAOYSA-N 426.304 4.282 5 20 IIBD Cc1ccc(-c2ccc(CN(CCN)c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])s2)cc1 582573743 UCWOCOQMBCOUBK-UHFFFAOYSA-N 445.566 4.001 5 20 IIBD Cc1cc(Sc2ncccn2)ccc1NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 582694901 NXUUCWHTHCDHSQ-UHFFFAOYSA-N 437.481 4.271 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 584193576 VYIPKVPHOYDLRH-GOSISDBHSA-N 448.932 4.378 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN3C[C@H]4CCN(Cc5ccccc5)C[C@H]4C3)o2)c1 589300624 RGMGKMLUNZHZLJ-YADHBBJMSA-N 432.524 4.246 5 20 IIBD COc1ccc(N(Cc2cccs2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)cc1 603639957 PGNLTFXLOXBRNE-UHFFFAOYSA-N 434.495 4.069 5 20 IIBD C[C@@H](NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1cccc([N+](=O)[O-])c1 603966000 WCNJNSJSBKIIHC-QGZVFWFLSA-N 430.464 4.401 5 20 IIBD CN(C(=O)c1cccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1)c1ccccc1 603991305 NWSBKRJYJDETFP-UHFFFAOYSA-N 441.447 4.309 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 609218325 GGFUKTPXGCXAGR-HXUWFJFHSA-N 429.860 4.204 5 20 IIBD COc1ccc(C2(NCc3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])CCOCC2)cc1 609358125 KCSUJRHGJKGPDY-UHFFFAOYSA-N 438.427 4.009 5 20 IIBD O=C(NCC1(N2CCCCC2)CCOCC1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 609489323 DQCRDTBUJGZWKR-UHFFFAOYSA-N 439.512 4.152 5 20 IIBD Cc1ccc(NCCCNC(=O)c2cc3c(C(F)(F)F)cc(O)nc3o2)c([N+](=O)[O-])c1 610069198 DAXPUIDENDMSEP-UHFFFAOYSA-N 438.362 4.001 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])c(Br)cc1F 610181131 BDRHSACGWWYKGA-UHFFFAOYSA-N 443.250 4.257 5 20 IIBD Cn1cc(C(=O)Nc2cccc(CC(=O)OC(C)(C)C)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 610306023 JXLNBLVXBSBUCL-UHFFFAOYSA-N 436.468 4.132 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)N[C@H](CO)CC1CC1 611110312 MYZODOBMHWLLGV-AWEZNQCLSA-N 437.855 4.140 5 20 IIBD Nc1ccc(-c2noc(Cn3c(Cc4ccccc4)nc4ccccc43)n2)cc1[N+](=O)[O-] 612856129 MTFXKBJWAXNPLO-UHFFFAOYSA-N 426.436 4.216 5 20 IIBD O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1CCO[C@@H]([C@H]2CCCO2)C1 613400877 ACZKLVNGOOXONK-QZTJIDSGSA-N 448.928 4.419 5 20 IIBD C[C@@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ncccc1F 619573943 BCVZCGCFCWHNSZ-GFCCVEGCSA-N 440.397 4.242 5 20 IIBD O=C(NC1CC1)c1ccc(NCc2cccc(C(=O)OCc3ccccc3)c2)c([N+](=O)[O-])c1 727434974 LDGIVHVLCQJQOH-UHFFFAOYSA-N 445.475 4.456 5 20 IIBD O=C(OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 730613738 RATPFCRJYRRMHK-HOTGVXAUSA-N 435.263 4.138 5 20 IIBD O=C(OCCCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 730662942 ZTLRVHORAMGPJF-UHFFFAOYSA-N 437.330 4.290 5 20 IIBD Cc1onc(-c2ccccc2)c1C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730708517 PAOKNRPCKUJRJG-QGZVFWFLSA-N 435.436 4.020 5 20 IIBD Cn1cc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(-c2ccccc2Cl)n1 731264350 TYNSNEGNAHOKJE-UHFFFAOYSA-N 449.250 4.098 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)OCCn2nc(C)cc2C)cc1[N+](=O)[O-] 731690700 KSZLFRUSHFCCBQ-UHFFFAOYSA-N 439.493 4.218 5 20 IIBD C[C@H](Nc1ccc(C(=O)O[C@H]2CCN(c3ccccc3)C2=O)cc1[N+](=O)[O-])c1ccccn1 731717792 YQHKMQLZCSBYOB-AOMKIAJQSA-N 446.463 4.125 5 20 IIBD O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1N1CCCCC1 732300369 XGKDQXCRSLPKJE-IBGZPJMESA-N 438.311 4.355 5 20 IIBD O=C(/C=C\C1CCOCC1)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 732692223 LYLCPQULRVHJLZ-DFOOEPSASA-N 444.871 4.454 5 20 IIBD O=C(/C=C/C1CCOCC1)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 732692224 LYLCPQULRVHJLZ-JLXBBBJOSA-N 444.871 4.454 5 20 IIBD COc1ccc(NC(=O)COC(=O)C[C@@H](C)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 733524318 RWWTVDLZPNYPPJ-GFCCVEGCSA-N 440.374 4.298 5 20 IIBD CCn1cc(C(=O)O[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)cn1 734047225 DNTZXQXSYBHZQE-SFHVURJKSA-N 428.832 4.001 5 20 IIBD O=C(Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1)c1cc2ccccc2oc1=O 735637637 KWJWWZDWLMXNPY-UHFFFAOYSA-N 442.387 4.399 5 20 IIBD COCc1nc(OC)c2c(C)c(C(=O)Oc3cc([N+](=O)[O-])c(Cl)cc3C)sc2n1 735791833 YSOKFZDOBCAMAY-UHFFFAOYSA-N 437.861 4.244 5 20 IIBD CCNC(=O)c1cccc(OC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c1 736010085 OLQCZQFRMTYIHC-UHFFFAOYSA-N 449.250 4.056 5 20 IIBD CC(C)CC(=O)Nc1ccccc1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 744642231 AVZVAKSBOZBVBW-ZDUSSCGKSA-N 447.875 4.417 5 20 IIBD C[C@H](OC(=O)c1cn(C)nc1C1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 744930345 STFISJYBWOWGAC-LBPRGKRZSA-N 434.880 4.213 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(Cc2ccccc2)cc1[N+](=O)[O-] 748630837 IUFSIYVUSWSULI-UHFFFAOYSA-N 437.408 4.120 5 20 IIBD CC[C@H](Oc1ccccc1Cl)C(=O)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 749029561 RCXDCHUKMFZIPF-INIZCTEOSA-N 441.267 4.032 5 20 IIBD Cc1cc(SC(C)(C)C)ccc1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 751255381 OXVBQXPHXUGFPI-UHFFFAOYSA-N 427.482 4.029 5 20 IIBD C[C@H](Cc1ccccc1Cl)C(=O)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 754531926 YVNYMIWBTIGXDK-GFCCVEGCSA-N 425.268 4.053 5 20 IIBD CCN(CC)C(=O)c1ccccc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754994177 OJTDTHARHYQSPC-UHFFFAOYSA-N 438.253 4.231 5 20 IIBD Cc1nc(CC(C)C)c(C(=O)OC[C@@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])s1 756277705 RJYMVZSTTCANEL-HNNXBMFYSA-N 431.514 4.020 5 20 IIBD C[C@@H](OC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C(=O)Nc1ccc(N2CCCCC2)cc1 756767406 VRUNFPMLKPCQRL-OAHLLOKOSA-N 436.468 4.250 5 20 IIBD Cn1ccnc1[C@@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1 756967929 XHKUJTXVBZZKBK-KRWDZBQOSA-N 434.283 4.224 5 20 IIBD O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)N1CCC[C@H]1c1ccccc1 757744705 OWFQAAOFWFXDFR-AWEZNQCLSA-N 429.267 4.022 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1Br)OC(C)C 759195012 FMTPISBMERNONV-QGZVFWFLSA-N 437.290 4.262 5 20 IIBD CC(C)N(CCCNC(=O)c1cccc([N+](=O)[O-])c1Br)C(=O)OC(C)(C)C 760816829 WNTKUVCDDDZVBH-UHFFFAOYSA-N 444.326 4.123 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)c1ccn(C2CCCC2)n1)c1cccc([N+](=O)[O-])c1 763282932 QAMBZHSQMHJXMI-SFHVURJKSA-N 440.500 4.148 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 764194400 YANHMKFITHZEEW-UHFFFAOYSA-N 443.384 4.095 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@H](C)c1cc(C)ccc1F 764712761 GQNPPPATTMBQPW-KUHUBIRLSA-N 434.489 4.198 5 20 IIBD COc1ccccc1[C@H](OC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccccc1 766516176 HCRXTJRTMYRUMS-JOCHJYFZSA-N 430.420 4.131 5 20 IIBD O=Cc1ccc(OCC(=O)N[C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 769161330 HHAVGFSUIGGIMT-DOTOQJQBSA-N 436.386 4.257 5 20 IIBD CSc1ccc(C(=O)N2[C@H]3CCC[C@H]2CC(NC(=O)OC(C)(C)C)C3)cc1[N+](=O)[O-] 769677701 VFRIBZUGUGBILX-HOTGVXAUSA-N 435.546 4.367 5 20 IIBD COc1cc(-c2nc(CC(=O)Nc3ccc(SC(F)F)cc3)no2)ccc1[N+](=O)[O-] 770960938 FCQJTGXMEHDIEE-UHFFFAOYSA-N 436.396 4.149 5 20 IIBD C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](C)[C@H](O)c1c(Cl)cccc1Cl 773047530 VRLYIDMDBKXXCH-CLUVUEOHSA-N 426.300 4.330 5 20 IIBD COc1cc(CCC(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)ccc1OCC(F)(F)F 773987885 CJPWNZBYBAPACM-UHFFFAOYSA-N 438.402 4.375 5 20 IIBD CC(C)(C)OC(=O)N1Cc2ccc(CN[C@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)cc2C1 774368505 PBPXJPZZWLTDPX-PMACEKPBSA-N 441.532 4.316 5 20 IIBD COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 774876285 OHOFEACEMCKKFX-INIZCTEOSA-N 428.228 4.156 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C 775491878 KPZRMOXOOASKBJ-HUUCEWRRSA-N 437.562 4.471 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[C@](O)(c2ccc(F)cc2)C1 776815139 OYVXBAHLKTUMCB-LJQANCHMSA-N 432.249 4.143 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 778598720 VRMSEVYTQJBESV-MNOVXSKESA-N 448.398 4.261 5 20 IIBD COc1ccc(-n2c(C)nnc2SCC(=O)O[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 778738425 GWUJLEHJVUSGOI-AWEZNQCLSA-N 442.497 4.197 5 20 IIBD CN(C)CC1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)cc2)CC1 778774751 HGZJOTGQOKREQA-UHFFFAOYSA-N 448.470 4.227 5 20 IIBD CC(C)(C)n1ncc(C(=O)O[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)c1C(F)(F)F 778787559 NFPWBXGDQQIBPI-CQSZACIVSA-N 426.395 4.001 5 20 IIBD COc1ccccc1-c1nc(C(=O)O[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)cs1 778797751 AIAUFOWLPBRGQR-MRXNPFEDSA-N 425.466 4.163 5 20 IIBD C[C@@H](OC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)c1nc2ccccc2n1C(F)F 781571770 LHIAJYYGWVYHDR-PIGZYNQJSA-N 430.367 4.137 5 20 IIBD Cc1cc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1NC(=O)c1ccco1 781627460 UFKVHQHRRQUKCE-UHFFFAOYSA-N 438.396 4.228 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N(Cc1ccc(F)cc1)CC(F)(F)F 781684622 LQEIQUKISYESCU-UHFFFAOYSA-N 429.326 4.166 5 20 IIBD CCOC(=O)[C@H]1CCN(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)c2ccccc21 782747482 KGNMDSWBGIQLCW-AWEZNQCLSA-N 433.258 4.055 5 20 IIBD Cc1ccc(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(OCCC(C)C)c1 783328686 CKOBYDDHTWVLCR-UHFFFAOYSA-N 433.892 4.236 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1cccc(N2CCOC2=O)c1 785966813 NHOHFBREAXJELD-GFCCVEGCSA-N 448.273 4.113 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H](O)c1ccccc1C(F)(F)F 786347425 IJJHUWMNGZIJHF-OAHLLOKOSA-N 447.207 4.148 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1ccc(F)cc1Cl 792471665 BBQOVEGWPGUMJJ-UHFFFAOYSA-N 445.628 4.254 5 20 IIBD COC(=O)c1cc2c(cc1F)NC(=O)/C2=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1 794738902 IRFYFZNMABULEG-NSIKDUERSA-N 425.397 4.137 5 20 IIBD Cc1cc(-n2c(C)cc(C(=O)COC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])c2C)no1 796444942 SSKZUIAQTUXXLF-UHFFFAOYSA-N 425.441 4.002 5 20 IIBD Cc1nc(C)c([C@H](C)N(C)C(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2O)s1 798168703 NQBXRQKIBVWHDL-JTQLQIEISA-N 435.893 4.046 5 20 IIBD COc1ccc(COC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)nn1 800450691 WUGZWHUDQKLWPH-UHFFFAOYSA-N 428.832 4.016 5 20 IIBD CCCCn1c(=O)c(CCC(=O)OCc2c(F)cc([N+](=O)[O-])cc2F)nc2ccccc21 803217040 SGWRYSPHRHYAKB-UHFFFAOYSA-N 445.422 4.059 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1I)N1CCc2cc(Cl)ccc21 804346910 WXURJCPSBHQQAR-UHFFFAOYSA-N 428.613 4.056 5 20 IIBD Cc1c(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccccc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 804411008 BDSPTLBHECZJAA-QFIPXVFZSA-N 449.463 4.496 5 20 IIBD CCc1nn(C)c(Oc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)c1[N+](=O)[O-] 807916482 XANMFZMFIANAHZ-UHFFFAOYSA-N 436.380 4.365 5 20 IIBD C[C@@H](C(=O)Nc1ccc(NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1)n1cncn1 811470244 VJRCEOZEMYQQMH-NSHDSACASA-N 435.271 4.305 5 20 IIBD COc1cc(COC(=O)c2cc(C3CC3)nc3onc(C)c23)c([N+](=O)[O-])cc1OC(F)F 812878661 ASBVILRIASRBEY-UHFFFAOYSA-N 449.366 4.284 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1cccc(NC(=O)[C@@H]2CCCO2)c1 815179572 UHDQYADEUHHOPC-KRWDZBQOSA-N 438.358 4.088 5 20 IIBD CCn1nc(C)c(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)n1 815649412 PCDUCEFZNYZBBI-UHFFFAOYSA-N 433.827 4.029 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 816074219 RYKCUYCVFDJHLO-LJQANCHMSA-N 445.438 4.381 5 20 IIBD O=C(COC(=O)CCc1cccc(Br)c1)Nc1cc([N+](=O)[O-])ccc1Cl 849209690 ONOPSCBXLURMOX-UHFFFAOYSA-N 441.665 4.125 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCNC(=O)c1ccc2ccccc2c1 914467073 IUZZYSZQZSBQNM-UHFFFAOYSA-N 425.872 4.180 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c2ccccc21 916064323 KIHSRHQUFUEUJS-OAHLLOKOSA-N 438.461 4.126 5 20 IIBD CN1CCN(c2ccc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])c(C(F)(F)F)c2)CC1 916089927 UWXNTYWEPTYHNC-UHFFFAOYSA-N 442.825 4.271 5 20 IIBD O=C(O[C@@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc(Br)c([N+](=O)[O-])c1 916665085 PZZWJAHCEWLMNS-GOSISDBHSA-N 447.285 4.268 5 20 IIBD CC(C)(C)[C@H](NC(=O)COC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1cccs1 918825387 RFSNEWZRZPAWHW-LJQANCHMSA-N 431.514 4.291 5 20 IIBD C[C@@H](c1cc2ccccc2o1)N(C)C(=O)COC(=O)CSc1ccccc1[N+](=O)[O-] 918833401 HJUDHNOCUPOPAG-AWEZNQCLSA-N 428.466 4.196 5 20 IIBD CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 920552205 SWLCHCLLDODMHT-OAHLLOKOSA-N 436.468 4.304 5 20 IIBD O=C(Nc1ccc(I)cc1Cl)N1Cc2ccc([N+](=O)[O-])cc2C1 1116148882 UNULNTOKRHHEDV-UHFFFAOYSA-N 443.628 4.401 5 20 IIBD COc1ccc(-c2cc(NC(=O)[C@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)ccc2OC)cc1 1116522529 OWEOAJYSZOYAFW-HSZRJFAPSA-N 447.447 4.411 5 20 IIBD Cc1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)no1 1253794044 JYDNKYSDVNPPTH-INIZCTEOSA-N 449.511 4.236 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC)c(OCc2cn3ccccc3n2)c1 1317932725 TZNNIMBXSZAJHC-UHFFFAOYSA-N 447.451 4.124 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 1320011808 JZFGFZLBBNORKV-KGLIPLIRSA-N 427.892 4.331 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@@H](F)c3ccccc3)cc2)CCC1)c1ccc([N+](=O)[O-])[nH]1 1786614151 GFYGKYLAFPXNQP-FQEVSTJZSA-N 436.443 4.381 5 20 IIBD C[C@]1(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccc([N+](=O)[O-])o4)CCC3)cc2)CC1(F)F 1792241892 NAXDOZNGLUZBDF-FHVRUZERSA-N 445.422 4.380 5 20 IIBD C[C@@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 1804344970 PZWAWLPJPNJCIT-JGJBVQGFSA-N 447.535 4.440 5 20 IIBD CC(F)(F)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823610858 OQSCZTPAHVVDOG-OAHLLOKOSA-N 441.475 4.103 5 20 IIBD CC(C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)sc2C1 1824425441 SSKSIVHCWNBKJA-GFCCVEGCSA-N 444.538 4.148 5 20 IIBD C/C=C(\C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CSc2ccccc2[N+](=O)[O-])CC1 1831343466 YWMZEPZMXPNCBP-XOMRCUKUSA-N 445.585 4.273 5 20 IIBD C[C@@H](OC(=O)c1ccccc1OCc1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 10863981 MWHBKEQGQKSLEA-OAHLLOKOSA-N 438.411 4.497 5 20 IIBD Cc1csc(SCc2ccc(C(=O)NCCNc3ccccc3[N+](=O)[O-])cc2)n1 17642064 LHLYLJGKIBRUPG-UHFFFAOYSA-N 428.539 4.494 5 20 IIBD O=C(OCCCOC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)c([N+](=O)[O-])c1 18032272 ZSQQIKDBJNIDSZ-UHFFFAOYSA-N 443.195 4.214 5 20 IIBD COc1ccccc1Oc1ccc(NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)cc1 18238806 XDUMRSBNPLBWJW-UHFFFAOYSA-N 442.449 4.052 5 20 IIBD O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc(SCc2cn3ccccc3n2)cc1 24470131 MXNUNKQUOYEFLD-UHFFFAOYSA-N 447.520 4.377 5 20 IIBD C[C@@H](OC(=O)COc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 24840377 YBIBCQOEFASDRN-VXGBXAGGSA-N 441.267 4.090 5 20 IIBD COC(=O)c1ccc(F)c(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 26498090 MJEDBLJYPFGRBH-UHFFFAOYSA-N 432.351 4.270 5 20 IIBD O=C(c1ccccc1[N+](=O)[O-])N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 32001135 UGBBSIRVJKTPQN-UHFFFAOYSA-N 425.485 4.420 5 20 IIBD Cn1cnc([N+](=O)[O-])c1Sc1nnc(-c2cccnc2)n1-c1ccc(Cl)c(Cl)c1 58457926 ZAHACYANDQAXHS-UHFFFAOYSA-N 448.295 4.429 5 20 IIBD CCOC(=O)c1c(NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)sc2c1CCSC2 60510038 VAPNGIJTNZTQFL-UHFFFAOYSA-N 436.511 4.273 5 20 IIBD Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C 69066240 UGDSCQRMSXXTLS-QGZVFWFLSA-N 445.903 4.125 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(CN(C)Cc2ccccc2)CC1 72097322 QDJWXADHYJXBDE-KRWDZBQOSA-N 444.963 4.419 5 20 IIBD Cc1cc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c(C)o1 109308219 HAQGQQMAWVJCNU-CQSZACIVSA-N 443.481 4.096 5 20 IIBD CCN(CC)CCOc1cc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)ccc1OC 109778690 RKHOMYZXERSPPO-UHFFFAOYSA-N 426.473 4.058 5 20 IIBD O=c1c(Cl)c(NC[C@H]2CCCO[C@H]2c2ccccc2)cnn1-c1ccc([N+](=O)[O-])cc1 301189802 RAPYTVGKLGCDAL-IERDGZPVSA-N 440.887 4.374 5 20 IIBD C[C@H]1C[C@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CCN1Cc1ccccc1 301529484 JFSXLNKHZAVTJK-GOEBONIOSA-N 439.484 4.056 5 20 IIBD C[C@H](CC(C)(C)c1ccccc1)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303417673 BUBRKWZZYPNCNX-NVXWUHKLSA-N 429.542 4.134 5 20 IIBD O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1C[C@@H](CO)[C@H](c2ccc(Cl)cc2)C1 427798013 NHZXFVSXXGHNRU-PXNSSMCTSA-N 437.883 4.158 5 20 IIBD O=C(Cn1nccc1[N+](=O)[O-])N(Cc1ccc(F)cc1)c1nc(-c2ccccc2)cs1 428270363 UEVWHFJSVQLGSH-UHFFFAOYSA-N 437.456 4.287 5 20 IIBD C[C@@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H](c2cccc(C(F)(F)F)c2)O1 428936893 SKCTXVQCMPOVFB-YJYMSZOUSA-N 438.402 4.442 5 20 IIBD CN(C(=O)c1cnc(OCc2ccccc2)cn1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 429086343 GEVQKDIWXSZGMO-UHFFFAOYSA-N 447.476 4.364 5 20 IIBD CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CCN(Cc2ccccc2)CC1 430904820 AQHVPSWCGMJQAL-UHFFFAOYSA-N 432.318 4.094 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC(N2CCc3ccccc3C2)CC1 431037440 JYVXOTSTBWKSKE-UHFFFAOYSA-N 444.329 4.020 5 20 IIBD CC(C)n1c([C@H](C)NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)nc2ccccc21 432333408 GKSRVGDTOUPGAP-HNNXBMFYSA-N 433.468 4.330 5 20 IIBD CCC[C@@H]1CCc2nc(NC(=O)C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)sc2C1 435016226 KVNSOJWOZOYNQS-CQSZACIVSA-N 442.541 4.086 5 20 IIBD O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 435586938 ACJSINQQYZPGET-JCNLHEQBSA-N 428.432 4.022 5 20 IIBD COc1ccc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc1NC(C)=O 435937764 CPDXPIYAAGACDW-UHFFFAOYSA-N 437.402 4.179 5 20 IIBD Cn1ccnc1[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccc(F)cc1 435950859 SXRSLWKPQSMFMZ-QFIPXVFZSA-N 426.451 4.073 5 20 IIBD C[C@@H](COc1ccc(F)cc1F)NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436141515 ASOIPSLGRFCTPY-NSHDSACASA-N 444.384 4.435 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)NC1(c2cccc(F)c2)CCOCC1 437819522 IMRCXPPSBSRRAT-UHFFFAOYSA-N 425.363 4.163 5 20 IIBD COc1ccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c(OCc2ccccc2)c1 439016598 DMGYGDDMFXZYAC-UHFFFAOYSA-N 445.435 4.015 5 20 IIBD CC(C)c1ccc(C(=O)N[C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)cc1[N+](=O)[O-] 439113369 QTHNTMMOFSDTHL-KRWDZBQOSA-N 438.528 4.466 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N(C)[C@@H](C)c2ccccc2F)cc1[N+](=O)[O-] 439251947 YMLLOFLICBQDOI-NSHDSACASA-N 431.283 4.187 5 20 IIBD Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 441270656 PFDLIJHSJUNCPO-SJLPKXTDSA-N 447.438 4.238 5 20 IIBD O=C(NCc1ccnc(-n2cccn2)c1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 442299424 GFBMHTLGFOXAEF-UHFFFAOYSA-N 431.477 4.257 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCN(Cc2ccccc2Cl)CC1 444241121 IVSCUBOJMZZNFA-UHFFFAOYSA-N 449.913 4.432 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(-c3cccc(NS(=O)(=O)c4cccs4)c3)n2)s1 445473359 UKBVGYHHNJVMHY-UHFFFAOYSA-N 434.480 4.236 5 20 IIBD Cc1csc(Sc2ccc(-c3nc(-c4cnc5cnccn45)no3)cc2[N+](=O)[O-])n1 445636555 GVJQCCSGXJJARR-UHFFFAOYSA-N 437.466 4.271 5 20 IIBD COc1cc(NCCNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])cc(OC)c1 447676507 CIRUAIKDPAPOEL-UHFFFAOYSA-N 436.337 4.185 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(NC(=O)c2cccnc2)cc1 462503189 QUZHAYRZIDNGTO-LJQANCHMSA-N 432.480 4.127 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 462611581 ATNILJDHEQZRER-GGAORHGYSA-N 447.539 4.446 5 20 IIBD Cc1cccc(Oc2ccc(NC(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)cn2)c1C 465137911 VSIBMEGVPMHABA-UHFFFAOYSA-N 435.436 4.351 5 20 IIBD CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1 465198362 STIQZQKAFGZVJO-ZDUSSCGKSA-N 445.501 4.107 5 20 IIBD CCNc1cnc(-c2noc(-c3ccc(N[C@H](C)c4ccccn4)c([N+](=O)[O-])c3)n2)cn1 468081724 YUCZMFPVRDUDCW-CYBMUJFWSA-N 432.444 4.102 5 20 IIBD Cc1ccc2c(c1)nc(CNC(=O)c1ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c1)n2C 468862421 GKHWWIPLNIZAQH-INIZCTEOSA-N 444.495 4.288 5 20 IIBD C[C@H]1CCN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C[C@@H]1n1ccnc1 469381995 SGPLMTNWCGWAOG-SJCJKPOMSA-N 449.298 4.007 5 20 IIBD CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 469493842 LDCBHEBHKMRVMJ-MOPGFXCFSA-N 435.480 4.047 5 20 IIBD COc1cccc(C(NC(=O)NCCc2ccccc2[N+](=O)[O-])c2cccc(OC)c2)c1 470355992 QMRWIURBKHFHJB-UHFFFAOYSA-N 435.480 4.243 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C)c(C(=O)N(C)C(C)C)c2)cc1SC 470461792 IYJMUEORERPHEJ-UHFFFAOYSA-N 431.514 4.366 5 20 IIBD CCOC(=O)[C@](C)(CNC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C)c1ccccc1 470819175 FSQLNSWDTXKLIC-JOCHJYFZSA-N 430.526 4.346 5 20 IIBD COC(=O)COc1ccc(CNC(C)(C)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 474342953 BBFPRAMLZCNQQF-UHFFFAOYSA-N 426.391 4.190 5 20 IIBD O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC(c2ccccc2C(F)(F)F)CC1 474864473 ODMFBXYQCUWZML-UHFFFAOYSA-N 436.386 4.405 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN(CCO)[C@H]2CCCSC2)cc1 475511956 UVVVCONFVVRQJY-QFIPXVFZSA-N 438.553 4.137 5 20 IIBD CNC(=O)CC[C@H]1CCCCN1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 476130536 CIXPXJGPDHZZEA-QGZVFWFLSA-N 426.473 4.300 5 20 IIBD COc1ccc(-n2c(C)nnc2S[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 477061112 FMBZPIWKQOJPIP-LBPRGKRZSA-N 438.469 4.396 5 20 IIBD COc1cccc(Cl)c1-c1noc(C)c1C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 477096899 JPKPWWIAZQKHKF-UHFFFAOYSA-N 441.831 4.027 5 20 IIBD Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)c2n[nH]cc2[N+](=O)[O-])cc1C 479411730 TXNUEIGWZMULLR-UHFFFAOYSA-N 430.468 4.060 5 20 IIBD Cc1ccc(I)cc1NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 481974127 NNKUWKYRNOGBPD-NSHDSACASA-N 425.226 4.391 5 20 IIBD CCc1ccc([C@@H]2CN(C(=O)Cn3c4ccccc4c(=O)c4ccccc43)CCO2)cc1 482060590 JYTIUCRAPNHUKJ-VWLOTQADSA-N 426.516 4.317 5 20 IIBD Cc1c(-c2nc(COc3ccc(I)cc3)no2)cccc1[N+](=O)[O-] 482546855 HEZRAOHOJJTEFS-UHFFFAOYSA-N 437.193 4.137 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2C[C@@H](C(N)=O)Cc3ccccc32)cc1[N+](=O)[O-] 484370230 OKAIDQPYUARICW-KRWDZBQOSA-N 427.526 4.037 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc([N+](=O)[O-])c1 484758244 FTWYJVASZINGHM-UHFFFAOYSA-N 432.845 4.196 5 20 IIBD CN(CCCOc1ccc(S(C)(=O)=O)cc1)c1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 484941444 AEAMACIIAUVUGY-UHFFFAOYSA-N 436.530 4.081 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Sc2ccc(Br)cc2[N+](=O)[O-])cc1OC 485273369 JLVUMNZAWGLRKN-SNVBAGLBSA-N 441.303 4.494 5 20 IIBD C[C@H]1CCCN(C(=O)C2CCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)CC2)C1 485400065 QXKFULAUMPSSTC-INIZCTEOSA-N 426.492 4.271 5 20 IIBD CC(C)(C)OCc1cc(CNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])no1 485554846 YIEQIQYASDQDEO-UHFFFAOYSA-N 447.435 4.325 5 20 IIBD C[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 487299409 OTGGGQAXERKKBO-WMZOPIPTSA-N 431.920 4.044 5 20 IIBD CS(=O)(=O)c1cccc([C@@H](NCc2ccccc2[N+](=O)[O-])c2cc(F)ccc2F)c1 493229379 NCWUDUWCZUZTQB-OAQYLSRUSA-N 432.448 4.156 5 20 IIBD O=[N+]([O-])c1ccc2oc(CN3CCC[C@@H](c4nnc5ccc(C(F)(F)F)cn45)C3)nc2c1 493570697 AQIQJXMZSGGFCL-GFCCVEGCSA-N 446.389 4.177 5 20 IIBD CO[C@@H]1Cc2ccccc2N(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C1 500281464 NOEDWMVGQGTPLO-CQSZACIVSA-N 447.278 4.305 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@H]1c1c(C)nn(-c2ccccc2F)c1C 501173356 ZHQZJHZKFYFPFU-NRFANRHFSA-N 438.459 4.059 5 20 IIBD COc1cc(C2(C(=O)NCCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)ccc1C 501919276 SFWWYBOMYZIUHO-UHFFFAOYSA-N 437.418 4.191 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H](Oc2ccccc2Cl)C1 503548410 MEDOMSQZQWGPQT-GFCCVEGCSA-N 425.666 4.304 5 20 IIBD CCc1cccc2c1OCC[C@H]2Nc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-] 506754608 POZLOAWGSGDQTN-GOSISDBHSA-N 433.530 4.123 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2scc(CC(C)C)c2C(=O)OC)cc1OC 508321673 HFSJUROKOFRWCY-UHFFFAOYSA-N 436.486 4.301 5 20 IIBD CCOc1cc(C(=O)NCC[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC 510168168 PIRXRIJBZLWZJX-HKUYNNGSSA-N 441.528 4.033 5 20 IIBD Cc1ccc(NCCCNC(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])c1 511372565 JDOHZQFELKYLLF-GHTZIAJQSA-N 426.517 4.172 5 20 IIBD C[C@@H](Cc1cc(Br)ccc1F)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 511569429 ATAKBYVMHZEBBO-ZDUSSCGKSA-N 438.297 4.312 5 20 IIBD COc1ccc(CN[C@H]2CCO[C@@H]2c2cccnc2)cc1OCc1ccc([N+](=O)[O-])cc1 512339695 YXJDQORGABROHU-XUZZJYLKSA-N 435.480 4.197 5 20 IIBD CCOc1cc(NC(=O)N(Cc2ccco2)C[C@@H]2CCCO2)c([N+](=O)[O-])cc1OCC 512788041 NJCLRXKSJKMSII-INIZCTEOSA-N 433.461 4.198 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)Nc3n[nH]c(-c4ccccn4)n3)cc2[N+](=O)[O-])cc1 518459282 SQYHGJBEHJBZTN-UHFFFAOYSA-N 432.465 4.487 5 20 IIBD CO[C@@H]1CCOc2c(NCc3cc(I)cc([N+](=O)[O-])c3)cccc21 520665674 YYESMLVJDYOYNE-MRXNPFEDSA-N 440.237 4.282 5 20 IIBD COc1cc(CS(=O)(=O)Cc2ccc(F)cc2Cl)c([N+](=O)[O-])cc1OC(F)F 521548708 ZKUOLLZUMMQGDK-UHFFFAOYSA-N 439.795 4.112 5 20 IIBD CCCCNC(=O)C1(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCCCC1 522373780 RECSJLTVIBMABQ-UHFFFAOYSA-N 430.530 4.067 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(COc2cccc(F)c2)c1 522846723 RXCHARYXYZKOTM-IBGZPJMESA-N 441.463 4.184 5 20 IIBD CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc2ccccc2c2cccnc12 523143591 JNFNYADFFHNMGZ-UHFFFAOYSA-N 449.532 4.289 5 20 IIBD COc1cc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2Br)ccc1SC 523508216 PGRRCSMFBWHPFC-UHFFFAOYSA-N 425.304 4.360 5 20 IIBD COc1cc(C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)cc([N+](=O)[O-])c1OC 525044797 JHPMKDSKUJQUST-UHFFFAOYSA-N 446.353 4.281 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCCc3nnc(-c4ccccc4)o3)cc2[N+](=O)[O-])C1 531814475 IFHRPQPHKTZJQU-IRXDYDNUSA-N 449.511 4.100 5 20 IIBD C[C@@H](c1cccc2ccccc12)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 533032428 DWTLNMOCHSHYPR-KRWDZBQOSA-N 439.537 4.035 5 20 IIBD C[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)c1cccc(NC(=O)c2ccccc2)c1 534657976 WJFRQGKAZJEZCZ-QGZVFWFLSA-N 432.480 4.450 5 20 IIBD COc1ccccc1[C@@H](NC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-])c1ccccn1 534842888 CBEHISAQRBZWHA-HSZRJFAPSA-N 449.511 4.198 5 20 IIBD CCOc1cc(NC(=O)C(C)(C)Cc2nc3ccccc3[nH]2)c([N+](=O)[O-])cc1OCC 537305895 CCNLWCPJZATJND-UHFFFAOYSA-N 426.473 4.476 5 20 IIBD CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C 538226081 KFMCHKJUAQDJMS-HNNXBMFYSA-N 436.555 4.078 5 20 IIBD C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1cc2c(cc1Br)OCCO2 542720050 PSXZVUBXJGFYKZ-SECBINFHSA-N 440.225 4.150 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCCc1nc2ccccc2n1C(F)F 543279245 AHQZRBYTDFTEEA-UHFFFAOYSA-N 440.859 4.444 5 20 IIBD COc1cc(C(=O)N2CC=C(c3cccc(Br)c3)CC2)c([N+](=O)[O-])cc1OC 545110186 FXFLVNJLGSQWTP-UHFFFAOYSA-N 447.285 4.304 5 20 IIBD COc1cc(OC)cc(C2(F)CCN(C(=O)NCc3cccc([N+](=O)[O-])c3C)CC2)c1 548989039 GHMMAPMZFRQFJI-UHFFFAOYSA-N 431.464 4.091 5 20 IIBD Cc1cc(OCc2ccccc2)ccc1NC(=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 549747117 HEIADRMLLLAUBE-UHFFFAOYSA-N 447.491 4.122 5 20 IIBD CC(C)(C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1)c1ccccc1[N+](=O)[O-] 550261259 PCQRAZSONQQERJ-HNNXBMFYSA-N 432.318 4.030 5 20 IIBD CC1(C)CN(c2ccc(Cl)cc2)CCN1C(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 552655591 XLPKRRAPTWHCBM-UHFFFAOYSA-N 440.887 4.243 5 20 IIBD CN1CC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3Cl)C2)C1 553796751 UUNQGFBQFHDJOM-JOCHJYFZSA-N 428.920 4.028 5 20 IIBD C[C@H](Oc1ccccc1NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccccc1 554651876 ZXSVPYCDIZRGCN-KRWDZBQOSA-N 448.479 4.173 5 20 IIBD COc1ccccc1O[C@@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 562115604 WGZVNMMPXROVPZ-CQSZACIVSA-N 437.399 4.280 5 20 IIBD C[C@H]1C[C@H](CCNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C[C@@H](C)O1 572138037 CCBNQRJZBSEYKA-MHORFTMASA-N 426.517 4.486 5 20 IIBD NC(=O)c1cccc(N2CCC(F)(c3ccccc3OC(F)(F)F)CC2)c1[N+](=O)[O-] 572866941 ZZBWDIFOZVOXNG-UHFFFAOYSA-N 427.354 4.058 5 20 IIBD CCc1cc(=N[C@@H](C)c2ccc(S(=O)(=O)CC)cc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 588054146 LWDYRARVIVWEQE-HNNXBMFYSA-N 440.525 4.003 5 20 IIBD COc1ccc(-c2nc(Cc3cc(OC)cc(OC)c3[N+](=O)[O-])no2)c(OCC(C)C)c1 589151519 KOYUIIMHSKGALE-UHFFFAOYSA-N 443.456 4.296 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O 590539176 VVRYDSWGWTYSTJ-QUSXHRHCSA-N 439.350 4.458 5 20 IIBD Cc1ccc(C(=O)C2CCN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)CC2)c(C)c1 603875391 HIXRYMLZXMEBAI-UHFFFAOYSA-N 432.480 4.132 5 20 IIBD CCN(C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)[C@H](C)c1cccc(C(F)(F)F)c1 604430373 BEFGCWFWOCWMID-GFCCVEGCSA-N 444.431 4.240 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC2(CCCCC2)CC1 608820466 CNXOEHZPGMHYKI-IBGZPJMESA-N 433.574 4.019 5 20 IIBD O=C(Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1)c1cc([N+](=O)[O-])cc2c1OCCO2 608943003 ZNDKDOSAIDSQHH-UHFFFAOYSA-N 448.410 4.225 5 20 IIBD Cc1nc(-c2ccccc2)sc1CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 608954383 MJLZIWIPRSKQCK-UHFFFAOYSA-N 433.493 4.357 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CC(Oc4ccccc4)C3)cc2[N+](=O)[O-])n1 609030710 XHCWLBBFZXGSSJ-UHFFFAOYSA-N 427.507 4.414 5 20 IIBD COC(=O)c1sc2ccccc2c1CNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] 609129759 VWKALUYMJWLXJC-UHFFFAOYSA-N 446.506 4.257 5 20 IIBD C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCc2[nH]c3ccc(Br)cc3c2C1 609196597 ASMKIIUFTKWEPU-LBPRGKRZSA-N 443.301 4.224 5 20 IIBD COc1cc(C(=O)N2C[C@H](C)Cc3ccccc32)c([N+](=O)[O-])cc1OCc1cscn1 609219048 CPGGRLCJMYNXCD-CQSZACIVSA-N 439.493 4.478 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N2CCC(CCc3ccc(O)cc3)CC2)c([N+](=O)[O-])c1 609561460 TVTIIQBQHZXXSK-UHFFFAOYSA-N 434.496 4.114 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(-c2cn3cccc(C)c3n2)cc1 609847521 PNTVAEHFSVIPLV-SFHVURJKSA-N 447.499 4.089 5 20 IIBD O=C(CSc1nnc(-c2ccc(F)cc2)o1)NCCCCc1ccc([N+](=O)[O-])cc1 610046671 WQPPRNDCAIXORZ-UHFFFAOYSA-N 430.461 4.015 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)N1CCC[C@H](n2ccnc2)C1 610945228 UTVCDQWUFZDSIN-GHTZIAJQSA-N 439.903 4.462 5 20 IIBD C[C@H](c1nnc(SCC(=O)c2cccc([N+](=O)[O-])c2)n1-c1ccc(Cl)cc1)N(C)C 612377661 QZMXHQFMMCJXHL-CYBMUJFWSA-N 445.932 4.427 5 20 IIBD COCCn1ncc2ccc(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)cc21 681969727 ICKMGUJHEHJQOR-UHFFFAOYSA-N 448.429 4.208 5 20 IIBD CC(C)(C)OC(=O)N1CCC(N(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C2CC2)CC1 725800905 STGNUULEEJAUAP-UHFFFAOYSA-N 443.504 4.009 5 20 IIBD CCc1cc[n+](/C(C(=S)NCCc2ccccn2)=C(/O)c2ccc(C)c([N+](=O)[O-])c2)cc1 726179397 YIZCKCQXIORDCV-UHFFFAOYSA-O 449.556 4.192 5 20 IIBD Cc1[nH]c2ccccc2c1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727399465 SYLHCNOAIDBHFT-UHFFFAOYSA-N 432.402 4.366 5 20 IIBD O=C(NCCC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 728034368 NSBYXNFCGQJZJF-SFHVURJKSA-N 435.402 4.097 5 20 IIBD CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])c1 728258388 QGVNKIJFMCLMSL-UHFFFAOYSA-N 437.399 4.029 5 20 IIBD CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c1 728283654 LQBXCDRQNZBNNA-UHFFFAOYSA-N 440.456 4.232 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-n3cnc4ccccc43)nc2)cc1SC 728463171 IJYHJRRWLDASPV-UHFFFAOYSA-N 435.465 4.312 5 20 IIBD O=C(Cc1csc(-c2cccs2)n1)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 729194129 UNONHQLKHRCKJG-UHFFFAOYSA-N 444.538 4.177 5 20 IIBD CC(C)(C)OC(=O)N1CCCc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc21 729667594 QBOPFKJINWGCTL-UHFFFAOYSA-N 433.486 4.083 5 20 IIBD O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(COc2ccccc2)cc1 731501419 CZRQZAWNNVVHJF-JOCHJYFZSA-N 432.432 4.136 5 20 IIBD COc1cc(CN2C[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F 733200261 KUSXBEDQOQIMKU-BETUJISGSA-N 445.463 4.035 5 20 IIBD C[C@@H](CN(C)C(=O)OC(C)(C)C)c1noc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 733740662 KLWJFKGIVVUEPB-AWEZNQCLSA-N 431.493 4.215 5 20 IIBD CC(C)C[C@@H](CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)N(C)C 733884100 NORKHDMEHIQPSE-INIZCTEOSA-N 446.935 4.207 5 20 IIBD O=C(Nc1cc(Br)cnc1OCC(F)(F)F)c1cc(F)ccc1[N+](=O)[O-] 734114840 BFOOIGICWUQKTL-UHFFFAOYSA-N 438.131 4.085 5 20 IIBD O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccccc1OCc1ccccc1 735333467 FXRZATFTQGBJIG-UHFFFAOYSA-N 448.431 4.329 5 20 IIBD CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)Cc2ccccc2C1 736011238 DEMFSHOBHDQNAZ-UHFFFAOYSA-N 431.876 4.249 5 20 IIBD CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1Br 736484694 LKLBUZUZSCLWOS-SFHVURJKSA-N 444.326 4.027 5 20 IIBD C[C@H](Cc1ccc(Cl)cc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 736641390 OPLOOUXKXOKRGG-LLVKDONJSA-N 447.738 4.262 5 20 IIBD CC(=O)CCc1ccc(OCC(=O)OCc2ccc([N+](=O)[O-])cc2Br)cc1 739579939 JKOBMFNMXXCPOK-UHFFFAOYSA-N 436.258 4.001 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)N1c2ccccc2CC[C@H]1C 740422983 VEHIOUIQJOILRE-OLZOCXBDSA-N 447.285 4.271 5 20 IIBD CN1C(=O)CC[C@@H](COC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@@H]1c1cccc(Cl)c1 740602756 KRHXEJASKLTALB-QKKBWIMNSA-N 441.871 4.496 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc1OCC1CCOCC1 741201768 CQGPGBYBOBHQOL-UHFFFAOYSA-N 429.429 4.178 5 20 IIBD C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 741445502 MMFBHDMFODWBPM-VIFPVBQESA-N 431.659 4.417 5 20 IIBD O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2Br)C1 742393734 ALOUBZUFYZEMFU-LLVKDONJSA-N 439.697 4.261 5 20 IIBD O=C1CCCN1C[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 742411773 VJRLTUDCCRWSFN-MRXNPFEDSA-N 438.362 4.297 5 20 IIBD O=C([C@H]1C[C@@]12CCc1ccccc12)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 743333299 NIQDHTVELHCEEF-DENIHFKCSA-N 445.441 4.166 5 20 IIBD CCCN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 744365985 PBTXMHMOINCHBD-AWEZNQCLSA-N 445.438 4.475 5 20 IIBD CC(C)=CC(=O)NCc1ccc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 744367536 MSSAEYMFWIEUSI-QFIPXVFZSA-N 425.510 4.065 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)c1nc(Cc2ccc(Cl)cc2)no1 744627976 YUNXKEBPEIUFNE-GFCCVEGCSA-N 430.848 4.206 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)O[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c1 744722713 POMJPDZKQPYLNK-ZDUSSCGKSA-N 440.374 4.261 5 20 IIBD O=C(COC(=O)c1cc(Oc2ccccc2)ccn1)Nc1cc(Cl)ccc1[N+](=O)[O-] 745762168 PCDMZYMCPDDBCU-UHFFFAOYSA-N 427.800 4.231 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCCC[C@H]1C1OCCO1 750846199 FGTUKZHPPPKJMG-KRWDZBQOSA-N 432.860 4.408 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1cc(Cl)ccc1N1CCSCC1 751279346 LUEDFBPULBGQPM-UHFFFAOYSA-N 448.353 4.256 5 20 IIBD Cc1sc(=O)n(CC(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)c1-c1ccc(F)cc1 753631930 XHNXHSRHANOPCQ-UHFFFAOYSA-N 438.440 4.119 5 20 IIBD O=[N+]([O-])c1ccc(-c2ncn(CN3CCC[C@@H](COc4ccccc4Cl)C3)n2)cc1 753960556 CVNQHFZNUDVFFH-MRXNPFEDSA-N 427.892 4.255 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1c(F)cc(Br)cc1F 756596930 SBFSQJBKNLSVIM-UHFFFAOYSA-N 440.156 4.043 5 20 IIBD Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 756727062 OPWSTUWINYWHKT-ZIAGYGMSSA-N 448.520 4.195 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn23)C1 762925887 IGOWHRVQNXQVSI-ANOSYLROSA-N 445.401 4.076 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cnccc2-c2ccccc2)c(Br)c1 766133777 HYIYYWZHMNYLES-UHFFFAOYSA-N 435.255 4.187 5 20 IIBD CC(C)(C)OC(=O)NCc1noc(-c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n1 766903823 KKBRNVNSFBMPHI-UHFFFAOYSA-N 425.445 4.282 5 20 IIBD Cc1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3[N+](=O)[O-])NC2=S)cc1C 767717821 OMXKKCBBLSBQEF-NVNXTCNLSA-N 432.299 4.236 5 20 IIBD O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 768058720 CFBBCQQYDZZHSO-FQEVSTJZSA-N 441.553 4.119 5 20 IIBD CC(C)Oc1ccc2ccccc2c1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 768299060 SZBRLZZXMXMAQG-UHFFFAOYSA-N 441.871 4.444 5 20 IIBD CCn1c(SC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nnc1-c1ccc([N+](=O)[O-])cc1 768412906 UZGUEWVRSSTLTD-CQSZACIVSA-N 433.534 4.222 5 20 IIBD Cn1ccnc1[C@@H](O)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 769431532 AYDPDDFKKCECJW-FQEVSTJZSA-N 430.892 4.187 5 20 IIBD CN(c1ccccc1)c1ccc(CN2CCC([C@@H](O)c3nccn3C)CC2)cc1[N+](=O)[O-] 769435942 WAVRHFSKSJVZSU-HSZRJFAPSA-N 435.528 4.042 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 769621272 FIWVYAXVYFADDJ-UHFFFAOYSA-N 432.396 4.053 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)Cc1ccccc1I 771361624 NPIOKSCGMHCCKA-UHFFFAOYSA-N 430.629 4.342 5 20 IIBD C[C@@H](OC(=O)CCc1nc(O)c2c3c(sc2n1)CCCC3)c1ccccc1[N+](=O)[O-] 776241580 DVNLCFWUJWMHPG-GFCCVEGCSA-N 427.482 4.421 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Oc1cc2cnccc2cc1OC 778386799 XONBFCXJSHNJBK-UHFFFAOYSA-N 442.449 4.026 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NC(=O)c1c(N)cccc1[N+](=O)[O-] 779355638 GCFOTPTUGOKMAY-KRWDZBQOSA-N 426.473 4.331 5 20 IIBD CCn1cc(N=c2scc(-c3ccc(C)c([N+](=O)[O-])c3)n2Cc2nnc(C)s2)cn1 779742297 RBECVAITSSXXNQ-UHFFFAOYSA-N 441.542 4.090 5 20 IIBD COC(=O)[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1Br)c1cccc(Cl)c1 781678245 QALFJKRMQNRQEW-AWEZNQCLSA-N 428.622 4.082 5 20 IIBD O=C(Nc1nccs1)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2Br)cc1 782121809 VWCNINGLVWDBIA-UHFFFAOYSA-N 447.270 4.318 5 20 IIBD COc1ccc(-c2noc([C@H](C)OC(=O)c3cc(SC)c(OC)cc3[N+](=O)[O-])n2)cc1 783460049 CZVWFJOLFCAANX-NSHDSACASA-N 445.453 4.302 5 20 IIBD O=C(OCc1cncc(Br)c1)c1cc([N+](=O)[O-])c(Br)cc1F 785362846 QFUHDKRMNCANKX-UHFFFAOYSA-N 434.015 4.011 5 20 IIBD CCc1ccc(OCC(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 789855277 GUSNTAXOKIOPSV-LBPRGKRZSA-N 440.374 4.125 5 20 IIBD CCOC(=O)Oc1ccc(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cc1 791171568 FKZJNWVFXPSRHO-UHFFFAOYSA-N 449.257 4.091 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(OCC(F)(F)F)nc2)c(Cl)cc1Cl 791430770 FJTQQIZULMVUGL-UHFFFAOYSA-N 446.190 4.039 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2OC2CCOCC2)cc1[N+](=O)[O-] 795375841 XUHTYCCFLCHVGJ-UHFFFAOYSA-N 444.868 4.054 5 20 IIBD Cc1nc(SC(F)F)sc1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 796546518 LSQAEJKUJZDOQE-UHFFFAOYSA-N 431.442 4.017 5 20 IIBD O=[N+]([O-])c1cccc(Br)c1CN(CCc1ccccn1)Cc1cccnc1 797605122 IWJSHQPLCDOLGD-UHFFFAOYSA-N 427.302 4.392 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2c(F)ccc(F)c2N)c2ccccc2)c([N+](=O)[O-])c1 798678944 AWNXBXHWBMMCPE-HXUWFJFHSA-N 441.390 4.300 5 20 IIBD COCc1nc(C(=O)OCCOc2ccc([N+](=O)[O-])cc2C)c(-c2ccccc2)s1 799623984 SBIGXDFOCNSKTC-UHFFFAOYSA-N 428.466 4.409 5 20 IIBD CC(C)(C)OC(=O)NCC[C@@H]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 799738546 DODQZBYPGRTIEV-AWEZNQCLSA-N 442.354 4.484 5 20 IIBD CC(C)(C)OC(=O)NCC[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 799784981 FKFLHTXCTSPIBA-CYBMUJFWSA-N 445.438 4.381 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3ccc(Cl)cc3n2)c(C)c1[N+](=O)[O-] 800051548 VJSLGJXPUZBDPN-UHFFFAOYSA-N 436.833 4.122 5 20 IIBD CN(CC(=O)OC[C@H]1CCO[C@@H]1c1ccccc1)c1cc(Br)ccc1[N+](=O)[O-] 802766322 BLOOSQFIDPYLKK-FOIQADDNSA-N 449.301 4.115 5 20 IIBD CN(Cc1nc2ccccc2s1)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl 809388312 OYHXBWHTMKIRLF-UHFFFAOYSA-N 432.310 4.332 5 20 IIBD CC(C)(NC(=O)c1ccccc1)c1noc(-c2cc([N+](=O)[O-])ccc2N2CCCCC2)n1 809508825 LZGNPGLIKOQIQS-UHFFFAOYSA-N 435.484 4.300 5 20 IIBD CC[C@@](C)(NC(=O)c1ccccc1)c1noc(-c2cc([N+](=O)[O-])ccc2N2CCCC2)n1 809513386 XKEMLBFZVBPIQQ-HSZRJFAPSA-N 435.484 4.300 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 809917219 CMLJXJQNBCTQDT-UHFFFAOYSA-N 437.283 4.282 5 20 IIBD O=C(Nc1ccc(OC(=O)[C@@H](O)c2ccc(Cl)cc2)cc1)c1cccc([N+](=O)[O-])c1 813385844 ZFIPFKVMVVYIEQ-IBGZPJMESA-N 426.812 4.140 5 20 IIBD O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCC(n2c(O)nc3ccccc32)CC1 813390205 SEFMIUXJSYZTBJ-UHFFFAOYSA-N 435.267 4.434 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C2 814121932 JXDLFNDZBGTIBT-UHFFFAOYSA-N 431.533 4.122 5 20 IIBD CC(C)(NC(=O)Nc1ccc(-n2nccn2)cc1C(F)(F)F)c1ccccc1[N+](=O)[O-] 814617322 GRLFCWDAOKCROM-UHFFFAOYSA-N 434.378 4.251 5 20 IIBD C[C@@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 827005628 GRWALGYZQLMXMD-ZBFHGGJFSA-N 442.566 4.076 5 20 IIBD Cc1c(NC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cccc1[N+](=O)[O-] 915308041 BBAVGOKKVORSQH-INIZCTEOSA-N 430.417 4.016 5 20 IIBD O=C(CN1CCC(Oc2ccc(F)cc2F)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 917133784 XJMPSNBKRSKWFJ-UHFFFAOYSA-N 425.819 4.008 5 20 IIBD C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 918477431 GIFWZTXAUKVKBH-CYBMUJFWSA-N 433.892 4.068 5 20 IIBD COc1ccc(-c2nc(COC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])co2)cc1 920778786 VSBQXFKFAMKPGB-GFCCVEGCSA-N 432.816 4.423 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCc2ccc(-n3ccnc3)cc2)cc1[N+](=O)[O-])c1ccccn1 921150483 WIHDSYILEMDVBQ-QGZVFWFLSA-N 442.479 4.279 5 20 IIBD O=[N+]([O-])c1cccc(N2CCN(c3nnc(-c4ccccc4)cc3C(F)(F)F)CC2)c1 1115935999 WGIQXDKKDKKDCV-UHFFFAOYSA-N 429.402 4.397 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC([C@H]2C(=O)Nc3ccccc32)CC1 1253329371 IQYXGHUBKKPPAV-JLTOFOAXSA-N 433.468 4.154 5 20 IIBD CN1CC[C@H](CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)[C@@H]1c1ccc(Cl)c(F)c1 1319584505 UBSVTYDDSBKRBM-VLIAUNLRSA-N 432.883 4.106 5 20 IIBD Cc1cccc([C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2N)c2ccccn2)c1 1321777507 DWXBADJKGDQBEN-LJQANCHMSA-N 441.285 4.162 5 20 IIBD Cn1nc(-c2nnc(-c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)o2)c2ccccc2c1=O 1322145973 NYLMZWCPSLFBAV-UHFFFAOYSA-N 440.419 4.302 5 20 IIBD O=[N+]([O-])c1ccccc1OCc1nnc([C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)o1 1322151473 OTWZKZKXCXJFHZ-FQEVSTJZSA-N 448.401 4.263 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccc(C2(NC(=O)[C@H]3C[C@]3(F)Cl)CCC2)cc1 1786208168 JRMPLHRKGYGAMS-IGFDDSCKSA-N 447.850 4.260 5 20 IIBD COc1cc(C)cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])[nH]4)CCC3)cc2)c1 1790604193 SMHCPORTTKNCKT-UHFFFAOYSA-N 448.479 4.301 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)s1 1795041140 JCUNQULLOYSMRB-YODORZIASA-N 445.928 4.275 5 20 IIBD Cc1ccc(F)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1[N+](=O)[O-] 1804338426 OKYYZPHECJQBRJ-LDEDEHCMSA-N 437.471 4.008 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OC(C)C 9172751 YNUCCDQKQPEDBN-LBPRGKRZSA-N 436.848 4.228 5 20 IIBD C[C@@H](NC(=O)COC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(Cl)cc1 10722973 FZZOTTPTOGZPNM-MRXNPFEDSA-N 448.906 4.229 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 10992506 KOOMDEIZPXVPCX-UHFFFAOYSA-N 444.447 4.346 5 20 IIBD COc1ccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1Br 13924089 YORYIIFJAYMGHV-QPEQYQDCSA-N 437.633 4.364 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 14401199 KMKKLTXXVNQQMF-INIZCTEOSA-N 435.274 4.170 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(-c2cccc(Cl)c2)o1 21547852 AQHZTTRJCACUGQ-SNVBAGLBSA-N 434.861 4.426 5 20 IIBD COc1ccc([C@H](CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 23487039 MTIJZPZGTBGKON-KKSFZXQISA-N 429.542 4.037 5 20 IIBD COc1ccc(OCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)c([N+](=O)[O-])c1 24291178 MBYFEUMAVQZTQL-HNNXBMFYSA-N 427.438 4.015 5 20 IIBD CCS(=O)(=O)c1ccc(N2CCC(Nc3ccc([N+](=O)[O-])c4cccnc34)CC2)cc1 63992764 PKAJOMLMSOEJJK-UHFFFAOYSA-N 440.525 4.018 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)Cc1csc(Br)c1 64740443 SKIZRXQTXCMVOI-SECBINFHSA-N 433.711 4.498 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCN(c2ccccc2Cl)CC1 65081158 XQKUGDKRCJHLJO-UHFFFAOYSA-N 428.901 4.334 5 20 IIBD O=C(Nc1ccccc1)[C@@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1 109103425 ZUDOOUWEZVFRMA-NRFANRHFSA-N 429.436 4.114 5 20 IIBD O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1c[nH]c2ccc([N+](=O)[O-])cc12 109852810 KDALPLWGWLCIRQ-UHFFFAOYSA-N 433.493 4.343 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccccc2SC(=O)N(C)C)cc1[N+](=O)[O-] 111197114 ZASALMOMFYMKAC-UHFFFAOYSA-N 435.527 4.249 5 20 IIBD O=C(CCCc1cccs1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 115052281 LVABHQUKXZHZFA-UHFFFAOYSA-N 427.448 4.347 5 20 IIBD CSc1ccc(C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)cc1[N+](=O)[O-] 195666451 MPCTVAJAGAFKTF-INIZCTEOSA-N 437.315 4.293 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@@H](C)C2)c1 301762871 NQELRCJUTOCBEP-HZPDHXFCSA-N 445.541 4.131 5 20 IIBD CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cc2ccccc2c2cccnc12 428691727 OAGXBVIHNVXROD-HHHXNRCGSA-N 425.532 4.097 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@@H]3Cc4cccc(O)c4C3)cc2[N+](=O)[O-])n1 430231678 CXTORAWGRLHRFT-CQSZACIVSA-N 427.507 4.114 5 20 IIBD CCOc1cc(NC(=O)NCc2c(F)cc(F)c(F)c2F)c([N+](=O)[O-])cc1OCC 430931787 DQCWLAKDCPFJGN-UHFFFAOYSA-N 431.342 4.270 5 20 IIBD C[C@H](CN(C)C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C(=O)O 431660573 XHBIHDPNERXHBT-VQCBNXJZSA-N 439.493 4.314 5 20 IIBD COc1ccc(NC(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc1[N+](=O)[O-] 432427366 CGRKWJMAQJQPOV-CYBMUJFWSA-N 433.770 4.131 5 20 IIBD CC(C)c1nc(C2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)no1 432910873 GEVYCMCJFSRLEI-UHFFFAOYSA-N 425.392 4.114 5 20 IIBD O=C(COc1cc(F)cc([N+](=O)[O-])c1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 433643435 UMUVEEYZYRDACO-UHFFFAOYSA-N 444.440 4.179 5 20 IIBD O=C(Cn1c(=O)cnc2ccccc21)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435448981 MUCBSJMIACDCBC-UHFFFAOYSA-N 438.490 4.156 5 20 IIBD C[C@H](c1cccnc1)N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435487397 RBFSJNYDBGUIGW-CYBMUJFWSA-N 442.522 4.361 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1O)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 436485883 HLUICDPZWCQGAE-UHFFFAOYSA-N 428.338 4.300 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 437017947 IIOMKSHDEOBWRB-UHFFFAOYSA-N 437.399 4.432 5 20 IIBD Cn1c(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc2cc(F)ccc21 437160087 OQDFNLRSGQDSNU-UHFFFAOYSA-N 428.367 4.370 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 439763290 HLZKUHOAXJQQTM-SFHVURJKSA-N 431.464 4.365 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 443637983 CMWCECSWNVYKLL-CQSZACIVSA-N 442.447 4.092 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c([N+](=O)[O-])c1 443638088 HUWUYQWFOCXRRM-KGLIPLIRSA-N 442.447 4.090 5 20 IIBD O=C(CN1CCC[C@@H](c2nc3ccc(F)cc3o2)C1)Nc1ccc([N+](=O)[O-])cc1Cl 443641283 LONPHPBNTHRRQQ-GFCCVEGCSA-N 432.839 4.347 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cc(C4CC4)nc4c3cnn4C(C)C)n2)c1 445578477 CLEKVQJBLLANSG-UHFFFAOYSA-N 434.456 4.447 5 20 IIBD O=C(Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 446429517 KRJCHXYHXXYESV-UHFFFAOYSA-N 437.418 4.387 5 20 IIBD COc1cc([C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2C)C(F)(F)F)cc(OC)c1OC 446483785 FGIGWSLDUJTCFP-QGZVFWFLSA-N 443.378 4.354 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2cc([C@@H]3CCCO3)nn2C)cc1[N+](=O)[O-])c1ccccn1 447652485 GDPSQRMGJPURNM-XOBRGWDASA-N 436.472 4.000 5 20 IIBD COc1cc2c(cc1OC)CN(c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])CC2 447668271 GSIKRBNBWACQHT-UHFFFAOYSA-N 433.333 4.224 5 20 IIBD O=C(CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])N1CCCc2ccccc21 447676502 QYDATMZDPPEFNV-UHFFFAOYSA-N 430.333 4.035 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCC[C@@H]2Oc2ccccc2C)cc1OC 448192538 YKHVRCADOJAOKJ-XLIONFOSSA-N 428.485 4.431 5 20 IIBD CCC[C@@H](C)N(C(=O)c1cc([N+](=O)[O-])ccc1OC)c1nc(C)c(C(=O)OCC)s1 460115087 MTWWABOBGBMQKW-GFCCVEGCSA-N 435.502 4.380 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3C[C@@H](C)CN(C)c4ccccc43)cc2)c(C)c1[N+](=O)[O-] 460337380 CXZRJFWNYOLFQC-INIZCTEOSA-N 433.512 4.189 5 20 IIBD CC[C@@H](C)n1c(SCC(=O)NCCc2ccccc2[N+](=O)[O-])nnc1-c1ccccc1 460487922 LUBROGCHRZNLBX-MRXNPFEDSA-N 439.541 4.275 5 20 IIBD COC(=O)c1cc(C(=O)N2CCC(c3cccc(Br)c3)CC2)cc([N+](=O)[O-])c1 466789823 RJHRSAGYTOKPTP-UHFFFAOYSA-N 447.285 4.164 5 20 IIBD COc1ccc(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])c(I)c1 468127956 CSHSQUKYFRUWPP-UHFFFAOYSA-N 444.250 4.182 5 20 IIBD COc1cc(C(=O)N2CCC[C@H]2c2ncc(-c3ccc(F)cc3)[nH]2)cc([N+](=O)[O-])c1OC 468966088 OKDCKXBBIPPGEH-KRWDZBQOSA-N 440.431 4.119 5 20 IIBD Cc1ccc(-n2[nH]c(C(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc2=O)cc1 469565841 VQYXSULVRAVMNP-UHFFFAOYSA-N 430.420 4.427 5 20 IIBD O=c1c2ccc(Cl)cc2nc(SCCn2cc([N+](=O)[O-])cn2)n1C1CCCCC1 470839773 HFOOHTLEHZUZGQ-UHFFFAOYSA-N 433.921 4.452 5 20 IIBD Cn1c(O)nc2ncc(-c3cccc(C(=O)N(Cc4ccc([N+](=O)[O-])cc4)C4CC4)c3)cc21 475241237 QZBSOEIRPMHZTC-UHFFFAOYSA-N 443.463 4.054 5 20 IIBD COc1ccc(NC(=O)c2cc(I)c(C)cc2C)cc1[N+](=O)[O-] 476652963 BPCNCEWELGVYNQ-UHFFFAOYSA-N 426.210 4.077 5 20 IIBD CCCN([C@H](C)c1cc2ccccc2o1)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 476960803 XLMDVQDKDNDINT-CQSZACIVSA-N 446.481 4.274 5 20 IIBD CC(=O)c1ccc(CNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)nc1C 478042990 SKOUFTZQWBACEY-UHFFFAOYSA-N 442.522 4.347 5 20 IIBD CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc1Cl 480228387 ROKQMRCHQXKJOY-UHFFFAOYSA-N 439.921 4.148 5 20 IIBD CCn1c(SC[C@@H](O)COc2c(C)cccc2C)nnc1-c1ccc([N+](=O)[O-])cc1 480383970 MBFARVKAZYYGSC-SFHVURJKSA-N 428.514 4.022 5 20 IIBD Cc1ccc(NC(=O)N2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC2)cc1Cl 486238168 SJPTYGHURNJILV-UHFFFAOYSA-N 442.859 4.293 5 20 IIBD COc1ccc(Br)c(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 486717129 NFRWFILZMDGURO-UHFFFAOYSA-N 433.180 4.315 5 20 IIBD Cn1nccc1N1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 487446948 DRHNEWIBIYSLRP-KRWDZBQOSA-N 443.573 4.009 5 20 IIBD O=C(CN(Cc1ccc(Cl)cc1)C(=O)c1ccc([N+](=O)[O-])o1)Nc1ccccc1F 488041932 KDERNYRZTIFHQW-UHFFFAOYSA-N 431.807 4.261 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)cc1[N+](=O)[O-] 488044901 QXGFABGQMIZELB-OAHLLOKOSA-N 425.872 4.258 5 20 IIBD C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] 488480633 FAUMOYHHSREVHK-RNODOKPDSA-N 449.429 4.472 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(N2CCCCC2)CCOCC1 488649181 YSWOFEWLDROGNZ-UHFFFAOYSA-N 435.590 4.108 5 20 IIBD Cc1cc(=NCc2ccc(C(=O)N3CCCCC3)cc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 489178602 WZZOFXLMCBQGTC-UHFFFAOYSA-N 431.496 4.020 5 20 IIBD O=C1c2ccccc2N[C@H](c2cc([N+](=O)[O-])ccc2OC(F)F)N1Cc1cccnc1 489221051 DNDKFFLOZGQWQE-IBGZPJMESA-N 426.379 4.358 5 20 IIBD COc1cc(CN2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn34)C2)ccc1[N+](=O)[O-] 489976522 HHNLEWQVMHVHMR-CQSZACIVSA-N 435.406 4.045 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1nnc(/C=C/c2ccco2)s1 490233871 BDNGHWFZZZIACT-VAWYXSNFSA-N 428.473 4.408 5 20 IIBD Cc1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1S(=O)(=O)Nc1ccccc1F 493001712 AROHISAZXCOZTO-UHFFFAOYSA-N 435.458 4.157 5 20 IIBD CCN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@@H](c1cccnc1)c1ccc(F)cc1F 496522010 ZDGNNCLIHCVUDB-QFIPXVFZSA-N 427.407 4.285 5 20 IIBD O=C(c1ccc(=O)n(-c2ccccc2F)n1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 498302788 FUQWLSGQSNXUOO-UHFFFAOYSA-N 444.422 4.127 5 20 IIBD O=C(Nc1ccc(Oc2nncc3ccccc23)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc12 499119673 VSXHVODJFDUPEU-UHFFFAOYSA-N 426.392 4.459 5 20 IIBD CC(C)Cn1nc(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c2ccccc2c1=O 499487931 NTGBDUUJRLFFFX-UHFFFAOYSA-N 434.374 4.232 5 20 IIBD O=C(CN1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1)N1CCc2cc([N+](=O)[O-])ccc21 502733964 ZRJFYJSQWNATLR-JOCHJYFZSA-N 449.486 4.240 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@H](C)[C@H]3CCCOC3)c([N+](=O)[O-])c2)c(C)c1 503272906 AVAPMFJKOWMBFJ-SJORKVTESA-N 433.530 4.239 5 20 IIBD O=C(Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 505210692 NVWTYOMKPVCTOF-VXKWHMMOSA-N 425.485 4.130 5 20 IIBD C[C@@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1ccc(-n2cccn2)c(F)c1 505315989 FOWURVAGZAEFKY-OAHLLOKOSA-N 431.427 4.473 5 20 IIBD O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 505806661 JWQWEBVEXSRPQH-UHFFFAOYSA-N 430.892 4.315 5 20 IIBD C[C@H]1CCCCN1C[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 505919598 STJVTUTZOYAOOQ-IRXDYDNUSA-N 428.558 4.445 5 20 IIBD C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccc(-n2cccn2)c(F)c1 508757200 XGPAACDCVCLWFR-LBPRGKRZSA-N 447.264 4.102 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1cccc2ncccc12 509017666 WOLZWGVOHRBTKC-UHFFFAOYSA-N 433.205 4.308 5 20 IIBD COc1cc([C@H](C)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc(OC)c1OC 509297320 YCKPWOXYTIPHKO-HNNXBMFYSA-N 431.489 4.302 5 20 IIBD COc1cc(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(F)cc2)c([N+](=O)[O-])cc1OC 512405443 KWXDQWQFGVXGBJ-UHFFFAOYSA-N 442.447 4.487 5 20 IIBD CCCOc1cc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)c([N+](=O)[O-])cc1OCCC 514525340 OJXKAYHEUNEKJX-OAHLLOKOSA-N 445.447 4.376 5 20 IIBD CN(Cc1cscn1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 516355570 OGLTTXGGXDMLGZ-UHFFFAOYSA-N 433.493 4.105 5 20 IIBD CCCc1ccc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 516782879 XDSJVMUGLIULMT-UHFFFAOYSA-N 431.495 4.089 5 20 IIBD CCOc1ccc([C@@H](C)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1OCC 519016325 KBUVAJHVFSKRLY-GFCCVEGCSA-N 428.894 4.085 5 20 IIBD CS(=O)(=O)c1cc(C(=O)Nc2cccc(-c3ccc4ccccc4c3)n2)cc([N+](=O)[O-])c1 521458456 UHOWRWKVDSDNQY-UHFFFAOYSA-N 447.472 4.466 5 20 IIBD COc1ccc(CNC(=O)N(Cc2cccc(Br)c2)C(C)C)cc1[N+](=O)[O-] 523906013 AMKXYTVFLNDIEX-UHFFFAOYSA-N 436.306 4.486 5 20 IIBD O=C(NCc1ccc(OCc2cccc(F)c2)cc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 524204186 CRKLTLHXXZAJHO-UHFFFAOYSA-N 446.438 4.429 5 20 IIBD C[C@@H](c1ccccn1)N(C)C(=O)c1ccc(C(=O)N(C)[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 524352479 FAQZYNVKKHLRBF-IRXDYDNUSA-N 447.495 4.051 5 20 IIBD COCc1cccc2sc(NC(=O)NCCCNc3ccc(C)cc3[N+](=O)[O-])nc12 524829736 POCVUCLEPFDNBF-UHFFFAOYSA-N 429.502 4.283 5 20 IIBD COc1ccc([C@@H]2CCCN2C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1OC 525354464 SOORDUXMGUIQDX-FQEVSTJZSA-N 427.501 4.481 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 530802587 SNTQSCQYADGORT-QFIPXVFZSA-N 430.464 4.210 5 20 IIBD CCS(=O)(=O)c1ccc(N2CCC(N[C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)cc1 531694385 BUKGTUNFWCRNMG-KRWDZBQOSA-N 431.558 4.016 5 20 IIBD CCS[C@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)OC)C1 536469894 PPLURUFGHKOOAP-HIFRSBDPSA-N 426.560 4.044 5 20 IIBD COC(=O)COc1ccc(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])c2ccccc12 537327711 UTWQMXBEXZJAGT-UHFFFAOYSA-N 438.436 4.016 5 20 IIBD COc1cc(-c2noc(Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)n2)ccc1OC(F)F 537556371 QRNZWANJJMFSDV-UHFFFAOYSA-N 443.366 4.167 5 20 IIBD CC(C)CN(C(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 538254120 MBSYIPKZGZTYNW-OAHLLOKOSA-N 444.557 4.354 5 20 IIBD CCOc1cc(Sc2nnc(CN3CCCC3)n2-c2ccccc2)ccc1[N+](=O)[O-] 538893023 IBKWJFLSQNXMAH-UHFFFAOYSA-N 425.514 4.321 5 20 IIBD CCn1cc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c(=O)c2cc(Cl)ccc21 543691266 IJCGHHQLUQATNP-UHFFFAOYSA-N 425.872 4.388 5 20 IIBD COc1cc(-c2nc(-c3nccn3C)no2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 545754054 MEESYZNWKAXDQI-UHFFFAOYSA-N 427.804 4.500 5 20 IIBD CC(C)(C(=O)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1)c1cccc(Cl)c1 546745619 GHXONQNSUJMFPB-UHFFFAOYSA-N 441.919 4.141 5 20 IIBD CN(C)C(=O)c1cccc(-c2noc(CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)c1 546984968 ZZILCSGXOGZKHG-UHFFFAOYSA-N 449.389 4.020 5 20 IIBD COc1ccc2c(c1)C[C@H](c1nc(Cc3ccc([N+](=O)[O-])cc3Br)no1)CO2 547176556 MBAXLXODHGMFJU-ZDUSSCGKSA-N 446.257 4.058 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCOC(C)(C)C3)cc2OCC)c1 549295117 ZCMYUDROWYDUCS-UHFFFAOYSA-N 443.500 4.260 5 20 IIBD COc1cc(CN2CCC(F)(c3cccnc3)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F 556618648 MCKCYLBUHVLYEX-UHFFFAOYSA-N 443.397 4.400 5 20 IIBD Cc1[nH]c2ccc(-c3noc(-c4ccc(N5C(=O)CCC5=O)c([N+](=O)[O-])c4)n3)cc2c1C 558312557 DIOURRACTCXSJJ-UHFFFAOYSA-N 431.408 4.063 5 20 IIBD CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1ccc(F)c(F)c1 559044672 PDENVXQSIVTPDI-UHFFFAOYSA-N 431.443 4.195 5 20 IIBD CCCOC1(c2noc(-c3nn(-c4ccccc4[N+](=O)[O-])c(C)cc3=O)n2)CCCCC1 564756973 NCZOTCPEIGGWCR-UHFFFAOYSA-N 439.472 4.085 5 20 IIBD O=C(Nc1ccc(F)cc1OC1CCOCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 587384078 PVHVGQRSPBBEFA-UHFFFAOYSA-N 443.475 4.147 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 589063227 JCYOWROXRKXMAR-RRQGHBQHSA-N 432.502 4.064 5 20 IIBD O=C(c1sc2ccccc2c1Br)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 589460884 DGNAHBBPFSPFNJ-UHFFFAOYSA-N 435.303 4.246 5 20 IIBD O=C(Cc1csc(-c2ccccn2)n1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 603613717 KRJUDHQCPUHDAN-UHFFFAOYSA-N 436.415 4.247 5 20 IIBD Cc1nc2ccc(NC(=O)N[C@H](CC(=O)OC(C)C)c3ccccc3[N+](=O)[O-])cc2o1 603654770 IJZWHIBELCXIEQ-QGZVFWFLSA-N 426.429 4.249 5 20 IIBD CC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c1 604012313 WBDDWZVQZQIJLI-UHFFFAOYSA-N 441.875 4.321 5 20 IIBD CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)NCc1ccccc1[N+](=O)[O-] 604076691 HJYQPWKREOMIEF-UHFFFAOYSA-N 425.272 4.072 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 604105734 OFYCFBIQXLLDHC-ZIAGYGMSSA-N 448.932 4.001 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1csc(-c2ccc3c(c2)OCO3)n1 608804346 UYGRWPZLTMCXSH-UHFFFAOYSA-N 435.364 4.301 5 20 IIBD O=C(NCCC(=O)N(Cc1ccccc1F)c1ccccc1F)c1ccc([N+](=O)[O-])cc1 609228463 HCBPYJOFYLCCDY-UHFFFAOYSA-N 439.418 4.226 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1 609512031 WXGOSLDQJVIEJB-UHFFFAOYSA-N 431.376 4.482 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2sccc2C(=O)C(C)(C)C)cc1OC 609832256 MVYDUIXQINCQAD-UHFFFAOYSA-N 436.486 4.171 5 20 IIBD CCOc1ccccc1[C@H](CC)NC(=O)COc1ccc([N+](=O)[O-])cc1Br 609962520 KUQMMWNINSXASD-INIZCTEOSA-N 437.290 4.402 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC1CCN(c2cccs2)CC1 610672456 GMLGZXGSMZPFOU-UHFFFAOYSA-N 442.463 4.262 5 20 IIBD CC(=O)Nc1cccc2c1CCN(C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)C2 611201418 OEDBDZRSYNUYRE-UHFFFAOYSA-N 444.491 4.364 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCc2c(F)cc(Br)cc2C1 611223270 DGNANXHNHVDCNA-UHFFFAOYSA-N 430.233 4.243 5 20 IIBD Cc1csc(Oc2ccc(NC(=O)[C@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)cc2F)n1 619253909 YJNRDEXYDLVYBH-LBPRGKRZSA-N 444.444 4.048 5 20 IIBD CC(C)(C)OC(=O)N1CCc2cc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)ccc21 726511548 REEGCHJGLZPYOU-UHFFFAOYSA-N 428.401 4.053 5 20 IIBD Cc1cccc(C2(C(=O)OCCNC(=O)c3ccc([N+](=O)[O-])cc3Cl)CCCC2)c1 726859608 FUKXJSBBCLAMJG-UHFFFAOYSA-N 430.888 4.342 5 20 IIBD O=C(CCc1ccccc1OC(F)(F)F)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 727554576 NVXUXXCMEHLYAZ-UHFFFAOYSA-N 437.330 4.219 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cccc(CNC(=O)OC(C)(C)C)c2)c1 727867753 MJRFGXRPCUOAMO-UHFFFAOYSA-N 429.473 4.336 5 20 IIBD C[C@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N1c2ccccc2C[C@@H]1C 728341413 XXJXLLZVNLXCOI-KBPBESRZSA-N 437.477 4.241 5 20 IIBD CC1CCN(c2ccc(NC(=O)CCC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)cc2)CC1 730278194 ITGORSWEVFLIKW-SFHVURJKSA-N 438.528 4.427 5 20 IIBD C[C@H](Oc1ccc(C(=O)O[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cn1)c1ccccc1 731512569 LBKBTCOVCQEZNY-HRAATJIYSA-N 447.447 4.092 5 20 IIBD CCOc1ccc(NC(=O)Cn2nc(C)nc2-c2ccc3ccccc3c2)c([N+](=O)[O-])c1 731938400 PDVJJQXQRHPAKY-UHFFFAOYSA-N 431.452 4.352 5 20 IIBD O=[N+]([O-])c1ccc(Oc2cccc(NS(=O)(=O)c3cccc(F)c3[N+](=O)[O-])c2)cc1 735267291 AWXJIOLFLJJCAJ-UHFFFAOYSA-N 433.373 4.235 5 20 IIBD O=C(CCC(=O)c1ccc2ccccc2c1)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 735335577 XZXLXSDWGLNMML-UHFFFAOYSA-N 448.431 4.252 5 20 IIBD COc1ccc(CSCC(=O)Oc2cc([N+](=O)[O-])c(Cl)cc2C)cc1[N+](=O)[O-] 735643033 LBHNMUSSASCQKR-UHFFFAOYSA-N 426.834 4.312 5 20 IIBD O=C(NC(c1cccs1)c1cccs1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 737610838 IPNHWSRHBPHUQE-UHFFFAOYSA-N 429.523 4.074 5 20 IIBD COc1cc(N2CCC(OC(=O)c3sccc3Br)CC2)ccc1[N+](=O)[O-] 739384365 ICWMGMNECAORGK-UHFFFAOYSA-N 441.303 4.253 5 20 IIBD O=C(CCc1cnn(-c2ccccc2)c1)OCc1ccc([N+](=O)[O-])cc1Br 739580455 WDNSRSKQMHAAGK-UHFFFAOYSA-N 430.258 4.219 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@H](O)c3ccccc3Cl)cc2[N+](=O)[O-])C1 740930171 LXGHNJNIOPCLPQ-PZPWOCDFSA-N 431.920 4.194 5 20 IIBD CN(Cc1ccccc1NC(=O)NCCc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C 743163239 QIUGGMPJOJOBGF-UHFFFAOYSA-N 428.489 4.326 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(=O)Nc1ccc(F)cc1F 744554035 JSWILBQBMKNRRO-ZDUSSCGKSA-N 433.411 4.047 5 20 IIBD Cc1cccc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1C 744554498 QDJQDDVMURRCMR-KRWDZBQOSA-N 425.485 4.386 5 20 IIBD Cc1cc(C(=O)OCc2ncc(-c3ccccc3Br)o2)c(N)c([N+](=O)[O-])c1 744947287 RVFPWCBTHRKUSO-UHFFFAOYSA-N 432.230 4.260 5 20 IIBD C[C@@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 745334900 JFWGCJKGJGSTOL-VXGBXAGGSA-N 425.268 4.253 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2ccc(N3CCc4ccccc43)cc2)c1 745387938 MNPSXVRXXBVRLY-UHFFFAOYSA-N 431.448 4.393 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)[C@H](C)c2ccc(Br)s2)cccc1[N+](=O)[O-] 745644280 YKXKJJJGPMWDDP-GHMZBOCLSA-N 441.303 4.401 5 20 IIBD CCOc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 747125569 ZJLOARJLOKBTKJ-NSHDSACASA-N 426.347 4.196 5 20 IIBD Cc1ccc(-c2csc(NC(=O)[C@@H](C)NC(=O)OCc3ccccc3)n2)cc1[N+](=O)[O-] 747293763 HPLBKROZVBAUTD-CQSZACIVSA-N 440.481 4.280 5 20 IIBD CN(C(=O)COC(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCCc2ccccc21 750825647 IDICNVXQRIMTDQ-KRWDZBQOSA-N 447.285 4.050 5 20 IIBD C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H](OCCCc2ccccc2)C1 752336523 TZECXPMFOSXRTH-QFBILLFUSA-N 431.920 4.299 5 20 IIBD CC(C)(C)c1csc(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)n1 754635083 GYDMUFGUDDWMOI-UHFFFAOYSA-N 430.299 4.223 5 20 IIBD O=c1c2ccccc2c(-c2ccc(F)c(F)c2)nn1CN1CCc2c1cccc2[N+](=O)[O-] 754776988 XVEUMHOJCYHYHK-UHFFFAOYSA-N 434.402 4.270 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 755985384 ZALIWECNBJAFGZ-DENIHFKCSA-N 439.512 4.261 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)OCc1nc(-c2cc(Br)cs2)no1 756530027 VMNVJKGTFVMLDB-UHFFFAOYSA-N 438.259 4.145 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 758862110 LINXXDDISWBJBJ-KRWDZBQOSA-N 441.818 4.133 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(Br)o2)c(-c2cccs2)c1 758984104 UJMIKXFBHGKBIV-UHFFFAOYSA-N 430.257 4.447 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 759292615 UOWZHKAGFWJOHU-HNNXBMFYSA-N 439.493 4.438 5 20 IIBD COc1ccc(NC(=O)[C@H](OC(=O)c2ccc([N+](=O)[O-])n2C)c2ccccc2)cc1Cl 761056813 VXFJPPGEVRRWFO-LJQANCHMSA-N 443.843 4.132 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(Cc3c[nH]c4ccc(Br)cc34)no2)cc([N+](=O)[O-])c1 761948193 XXOOFSZFDYYHIY-UHFFFAOYSA-N 444.201 4.388 5 20 IIBD O=C(OCc1coc(-c2cccc(Cl)c2)n1)c1cc([N+](=O)[O-])ccc1SCCO 763743351 GRVITMRUCMNWHF-UHFFFAOYSA-N 434.857 4.345 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@H]1COc1ccc(Cl)cc1 763751574 PJNOFYGWECYENJ-INIZCTEOSA-N 426.860 4.118 5 20 IIBD O=Cc1ccc(OCC(=O)N2CC3(CCC3)c3cc(Br)ccc32)c([N+](=O)[O-])c1 765664448 XRYVVXJXYBQTAC-UHFFFAOYSA-N 445.269 4.017 5 20 IIBD O=C(Nc1ccccc1C(=O)N[C@@H]1CCO[C@H](C2CC2)C1)c1ccc([N+](=O)[O-])cc1Cl 765803197 QALBPVSASFBJPD-VLIAUNLRSA-N 443.887 4.188 5 20 IIBD O=C(c1cc(F)cc(Cl)c1O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 769015544 GTJQPAWQVSFXPN-UHFFFAOYSA-N 447.772 4.074 5 20 IIBD Cc1c(NC(=O)[C@@H](C)N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)cccc1[N+](=O)[O-] 769944631 CACOOYUINOIRNN-QGZVFWFLSA-N 448.564 4.199 5 20 IIBD O=C(OCCNc1ccc(C(F)(F)F)cn1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 770618968 AZBJOSFAIJUESG-UHFFFAOYSA-N 438.387 4.401 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)C[C@H](C)C(=O)c1ccc(Cl)cc1 777215863 KJPLZTASVKBTAO-QWHCGFSZSA-N 448.859 4.036 5 20 IIBD Cc1nc(-c2cccs2)c(CC(=O)O[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)s1 778798565 XEMIYWKOAHDLKQ-MRXNPFEDSA-N 429.523 4.453 5 20 IIBD CSc1cccc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 778886701 BQCKOSRUPQLGOU-SNVBAGLBSA-N 426.397 4.102 5 20 IIBD C[C@H](OC(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1)C(=O)Nc1ccccc1[N+](=O)[O-] 781438137 RUBQBUCLIFGFLQ-NSHDSACASA-N 440.349 4.355 5 20 IIBD O=C(O[C@@H](C(=O)N1CCCCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1Br 781675212 BZTVIDSKBLZBJB-GOSISDBHSA-N 447.285 4.268 5 20 IIBD O=C(Nc1ccccc1)C1=C(c2ccccc2)NC(=S)N[C@H]1c1ccc([N+](=O)[O-])s1 782246628 XBTATCUDVXXEMN-IBGZPJMESA-N 436.518 4.225 5 20 IIBD COc1cccc([C@H](OC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c2ccncc2)c1 782456698 LIHHPGMASGMPGO-JOCHJYFZSA-N 430.420 4.131 5 20 IIBD COC[C@H](c1ccc(Cl)cc1)N(C)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] 784812726 LRVKHFMPJBOXGC-MRXNPFEDSA-N 434.848 4.068 5 20 IIBD Cc1cc(C(=O)O[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)c(C)nn1 786024271 KMCOXGDCIFQHJI-IBGZPJMESA-N 440.843 4.192 5 20 IIBD CN(Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1N)C(=O)c1cc2ccccc2o1 787017489 CLJFFRNNDVAUET-UHFFFAOYSA-N 444.447 4.448 5 20 IIBD COc1ccccc1NC(=O)[C@H](OC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(C)C 790745884 LKUQIRQQIDJGOA-LJQANCHMSA-N 438.839 4.145 5 20 IIBD CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790811894 CBQIYTWHHZLFFP-QGZVFWFLSA-N 433.911 4.300 5 20 IIBD CCCC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)cc1 791691375 GIMRVUPWCPUDAP-AWEZNQCLSA-N 428.441 4.079 5 20 IIBD CC(C)c1n[nH]c(COC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 795288458 ZHGWYRQTCWQKNZ-UHFFFAOYSA-N 443.847 4.099 5 20 IIBD O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)Nc1c(F)cc(Cl)cc1F 795344664 YRBWHSNECROSIR-UHFFFAOYSA-N 445.600 4.229 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])Cn1nc(COc2ccc(Cl)cc2)n(C)c1=S 795645204 RIFSHNKVBHJYEJ-UHFFFAOYSA-N 447.948 4.224 5 20 IIBD COc1ccc(-c2nc(COC(=O)COc3ccc([N+](=O)[O-])c(C)c3)cs2)cc1OC 797493932 OKANUOYJPRIRRI-UHFFFAOYSA-N 444.465 4.166 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(I)c1)c1cc(Cl)ncc1Cl 801699282 CJHMKIJHCHZULD-UHFFFAOYSA-N 438.008 4.154 5 20 IIBD Cc1c(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cnc(Cl)c1Br 801711934 YERXLVCEUXEZGW-UHFFFAOYSA-N 427.686 4.421 5 20 IIBD Cc1ccccc1[C@@H](OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1cccs1 802062029 XHLDMCLMRRFYRN-LJQANCHMSA-N 431.491 4.315 5 20 IIBD COc1cc(Br)ccc1OC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] 809299600 FUSZVRQRHJJJJA-UHFFFAOYSA-N 448.172 4.195 5 20 IIBD O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCCc3cc(OC(F)F)ccc32)cc1Cl 809810858 PJRUNOBIZUZGLS-UHFFFAOYSA-N 436.795 4.130 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 812025437 AKWZVFJDDRDQHR-OAHLLOKOSA-N 436.472 4.027 5 20 IIBD CCO[C@@H]1C[C@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@H]1Oc1ccccc1 813525572 XCTFDVYVKBBUGV-LZLYRXPVSA-N 425.268 4.256 5 20 IIBD CC(C)[C@@H](NC(=O)COc1cccc(Cl)c1[N+](=O)[O-])c1ccc2c(c1)OCCCO2 814775689 SBECLDSQBVHZLP-HXUWFJFHSA-N 434.876 4.302 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)OCc2cc(Br)cnc2Cl)cc1OC 821617507 PWQCKBFNKMTYLD-UHFFFAOYSA-N 445.653 4.170 5 20 IIBD Cc1ccc(-c2nc(CC(=O)O[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cs2)o1 914967015 OHWKDTYWRGVVQB-LLVKDONJSA-N 449.872 4.386 5 20 IIBD Cc1nc(Cc2ccccc2)sc1C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 915444901 IGDCGIRCPVZLJD-AWEZNQCLSA-N 425.466 4.135 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)OCc1csc(Cc2ccc(Cl)cc2)n1 915523265 WNNZYDLNHZVOCD-UHFFFAOYSA-N 442.884 4.389 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C=C(C3CC3)C3CC3)cc2)cc1[N+](=O)[O-] 917908505 ZYLVWANOEKYHBH-UHFFFAOYSA-N 441.509 4.389 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Oc1ccc2ccccc2c1Br 918187623 GQOIEBOOZHQBPQ-UHFFFAOYSA-N 426.219 4.417 5 20 IIBD Cc1ccc(Cc2cnc(NS(=O)(=O)c3cccc(F)c3[N+](=O)[O-])s2)cc1F 918191362 DYEQCVJWCNYAIS-UHFFFAOYSA-N 425.438 4.030 5 20 IIBD CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)OCc1nc2ccccc2c2ccccc12 919472692 SXKQOVUUZVGCOE-JOCHJYFZSA-N 426.538 4.026 5 20 IIBD C[C@H](OC(=O)CCOc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](C)c1ccc2ccccc2c1 919491368 QHHFUZCAVMYCEM-IRXDYDNUSA-N 436.464 4.326 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(Cc2csc(NC(=O)c3ccco3)n2)n1 1254850189 KEABHXNDOCIJDP-UHFFFAOYSA-N 425.426 4.154 5 20 IIBD CC(C)(C)c1ccc(C2(C(=O)NS(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 1317990267 IXHDOCPQUSVZNU-UHFFFAOYSA-N 436.917 4.082 5 20 IIBD CC(C)(C)OC(=O)Nc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)ccc1F 1327865070 JGCXJMXSAZDHDO-UHFFFAOYSA-N 429.401 4.021 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccoc3Cl)CCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 1790187207 GHYSHJGDRWTYQM-UHFFFAOYSA-N 428.832 4.231 5 20 IIBD C/C=C/C(=O)Nc1ccc(C2(NC(=O)CSc3ccccc3[N+](=O)[O-])CCC2)cc1 1791215264 IRCAFNXTUYVESR-QHHAFSJGSA-N 425.510 4.397 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1)[C@H]1C[C@@H]1c1ccccc1 1822319482 COTXILBDBZQASJ-RYRKJORJSA-N 449.467 4.021 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)ccc1F 1830564056 NMHUMWQEMCNEPU-IBGZPJMESA-N 443.475 4.182 5 20 IIBD Cc1noc(C)c1COc1ccccc1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 9618127 CEFOPIVLIQEIIG-UHFFFAOYSA-N 440.408 4.002 5 20 IIBD Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 14896021 DHMXIXYHPKZGCR-UHFFFAOYSA-N 426.860 4.174 5 20 IIBD CCCN1CCC(Nc2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2[N+](=O)[O-])CC1 18058436 SQELSXCAEGGHCA-UHFFFAOYSA-N 446.573 4.096 5 20 IIBD COc1cc(CNC(=O)COc2ccc(C)cc2[N+](=O)[O-])ccc1OCc1ccccc1 19317040 QLPJGHQCTRLJCP-UHFFFAOYSA-N 436.464 4.186 5 20 IIBD Cc1ccccc1CN(C)C(=O)[C@H](C)OC(=O)Cn1c2ccccc2c(=O)c2ccccc21 28775127 MSMXBXVFAPKDMN-IBGZPJMESA-N 442.515 4.053 5 20 IIBD O=C(CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)Nc1ccccc1[N+](=O)[O-] 33665322 RWLJHJXJHRPLIH-UHFFFAOYSA-N 431.783 4.041 5 20 IIBD O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl 36676828 GMDAIUSKGSTOLF-UHFFFAOYSA-N 440.872 4.108 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CSc3ncnc4c3cnn4-c3ccc(F)cc3)n2)c1 45712895 HGJRJGREKDTWJR-UHFFFAOYSA-N 449.427 4.205 5 20 IIBD CC(C)c1ccc(OCCNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 57804256 YQWKLGJUPWAYGJ-UHFFFAOYSA-N 426.391 4.468 5 20 IIBD COc1ccc(Cl)c(NC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c1 64560358 CDKBIYYTJVKWOE-INIZCTEOSA-N 435.864 4.461 5 20 IIBD O=[N+]([O-])c1ccccc1OCCSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 71959852 HCQGXHOGLOESLS-AWEZNQCLSA-N 432.527 4.265 5 20 IIBD Cc1c(C(=O)N[C@@H](C)CCc2ccc(OC(C)C)cc2)nnn1-c1cccc([N+](=O)[O-])c1 108344047 NGWOLXFKEISTFI-INIZCTEOSA-N 437.500 4.022 5 20 IIBD Cc1c(C(=O)Nc2ccccc2N(C)Cc2ccccc2)nnn1-c1cccc([N+](=O)[O-])c1 109402635 IWWXRDAJLRGZGX-UHFFFAOYSA-N 442.479 4.373 5 20 IIBD CCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)cc1[N+](=O)[O-] 109652480 DDRQXRDROGJPIL-UHFFFAOYSA-N 431.448 4.449 5 20 IIBD C[C@@H](CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)N1CCc2ccccc21 195607310 PEBPFLBEGSQPLL-ZWKOTPCHSA-N 445.523 4.344 5 20 IIBD COc1cc(CCNC(=O)C[C@H](C)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])cc1OC 195647064 KZOYHGNFEPDBBP-ZDUSSCGKSA-N 440.418 4.483 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H](c3cccc(F)c3)N3CCOCC3)cs2)c1 237773464 WFUJUUSHFFHIIU-NRFANRHFSA-N 442.516 4.021 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NCc1ccc(-n2ccnc2)cc1 301114735 LUDKIHGJPSXWDM-UHFFFAOYSA-N 449.492 4.193 5 20 IIBD C[C@@H](Sc1nnc(NCCc2cccs2)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1 302913039 QUDKKFFRLBQAGM-LLVKDONJSA-N 435.556 4.282 5 20 IIBD Cc1ccc2oc(N3CCN(CCc4ncc(-c5cccc([N+](=O)[O-])c5)o4)CC3)nc2c1 303323872 VMJVABMCDCGQPT-UHFFFAOYSA-N 433.468 4.064 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)cc1[N+](=O)[O-])c1ccccn1 303514229 UELZKCGUWSMIKC-MOPGFXCFSA-N 447.539 4.413 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc(-c4cncnc4)cn3)cc2[N+](=O)[O-])C1 410163719 ZNNFATSCAYSWHS-HOTGVXAUSA-N 432.484 4.181 5 20 IIBD O=C(Nc1ccc2c(c1)S(=O)(=O)CC2)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 427053986 VOBFPKAHBTWOJT-UHFFFAOYSA-N 440.502 4.328 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 428927942 GLSYZBXOZZIBQN-KUHUBIRLSA-N 437.418 4.323 5 20 IIBD CC(C)NC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 429825754 YZMBIQATYLVQNY-UHFFFAOYSA-N 440.681 4.401 5 20 IIBD COc1ccncc1CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 431108532 OWHDYKVXZOOCNZ-HXUWFJFHSA-N 426.860 4.121 5 20 IIBD CCN(CC)[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])Cc1ccccc1 431168929 QVNPAMGFHALUCE-KRWDZBQOSA-N 434.334 4.040 5 20 IIBD COC(=O)c1cnc(N2C[C@@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)c([N+](=O)[O-])c1 432135425 IBIVZEOGGLYOFU-INIZCTEOSA-N 439.390 4.152 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 433694131 GEQXSCKQJOLERE-JTSKRJEESA-N 436.512 4.135 5 20 IIBD CCN(CC)[C@@H](CNC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 433994693 QBMQBJIWJBPKKC-HNNXBMFYSA-N 441.454 4.273 5 20 IIBD Cc1ccn(C2CCN(C(=O)c3ccc(N4C[C@H](C)C[C@@H](C)C4)c([N+](=O)[O-])c3)CC2)n1 434037455 QWVRKWLTVGJSRS-IAGOWNOFSA-N 425.533 4.059 5 20 IIBD COc1ccc(CC[C@@H]2CCCCN2C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1OC 434186326 HNMZPOMADHHTLD-INIZCTEOSA-N 430.505 4.086 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2nc([C@@H]3C[C@H]4CC[C@H]3C4)cs2)cc1[N+](=O)[O-] 434809992 QYPRKOWCZUIHQR-DARAHFNDSA-N 428.514 4.079 5 20 IIBD CCC(CC)[C@@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1cccs1 435486008 DFEZQHQSTSIDBE-HXUWFJFHSA-N 429.498 4.217 5 20 IIBD CCn1ccnc1[C@H]1CCCCN1C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 435999403 IYFMAKZYRKMKJZ-HXUWFJFHSA-N 425.533 4.415 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccc(Br)s1 436464236 CXAQOAJGTDHVRC-NSHDSACASA-N 440.319 4.064 5 20 IIBD O=C(NCCCO)c1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 437252015 PCJGEABMZGABLB-UHFFFAOYSA-N 429.860 4.233 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(c2cccc3cnccc23)C[C@@H]1C 439882052 ZMNARYNSPDNUKB-INIZCTEOSA-N 435.484 4.284 5 20 IIBD C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 440497031 QPIHIEQSWIGQIZ-GHTZIAJQSA-N 445.523 4.094 5 20 IIBD O=C(CC1CCCC1)NCCNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] 440717566 LHNQLEKATRWLJK-UHFFFAOYSA-N 427.526 4.172 5 20 IIBD Cc1ccnc(OC2CCN(C(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)CC2)c1 444301679 NMDCSCSGGAZSIZ-UHFFFAOYSA-N 431.467 4.207 5 20 IIBD O=C(Nc1ccccc1)Nc1ccc(C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 444644906 OIWWHTASZBTYNB-UHFFFAOYSA-N 430.424 4.045 5 20 IIBD Cc1ccccc1C1(CNC(=O)c2sc(Br)cc2[N+](=O)[O-])CCOCC1 445193808 XZBCBQLJYUSOEH-UHFFFAOYSA-N 439.331 4.205 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3ccc4c(c3)nc(O)n4C3CCCC3)n2)c1 445577533 SFNNFRJLNLBZGW-UHFFFAOYSA-N 435.440 4.415 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(Br)c1 447030708 VLZMFSCAPDSOHO-NXEZZACHSA-N 445.257 4.004 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NCCc1ccccc1[N+](=O)[O-] 460493467 RNAIETGWMNRDFA-LLVKDONJSA-N 427.682 4.137 5 20 IIBD COc1cccc([C@@H]2CCCN2c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCOC2)c1 461645650 IFTAJVZKWGLZHE-VGSWGCGISA-N 449.511 4.240 5 20 IIBD CC(C)N(Cc1cccc(F)c1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 461647683 NXGNNUBTXOTALV-GOSISDBHSA-N 439.491 4.444 5 20 IIBD CCN(CC)C(=O)c1ccc(CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)cc1 462492652 RAEBTVBZYBAITN-UHFFFAOYSA-N 434.496 4.663 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1 462768359 VFQKOEOKAAXMON-SELNLUPBSA-N 439.556 4.089 5 20 IIBD COc1ccc(Cl)cc1N1CC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 463540504 FWRCCYQPLJBDAI-ZDUSSCGKSA-N 443.809 4.284 5 20 IIBD COCc1c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cnn1-c1ccccc1 464561603 VWKISUAOIGFOCD-UHFFFAOYSA-N 435.465 4.303 5 20 IIBD O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464628220 NUONDBSSBXTBPA-UHFFFAOYSA-N 432.480 4.342 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1cccc(COC2CCCCC2)c1 465170088 QIPOWAODRGLGLU-UHFFFAOYSA-N 426.469 4.397 5 20 IIBD COc1cc(CN2CCO[C@@H](c3cccc(Cl)c3)C2)c([N+](=O)[O-])cc1OCC(F)F 467173781 DCQCPGWRQQFXKH-LJQANCHMSA-N 442.846 4.474 5 20 IIBD Cc1ccc(-c2noc([C@H](C)NC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)n2)cc1F 467214442 FHOJKRBCKXQIMX-NSHDSACASA-N 433.827 4.306 5 20 IIBD CN(C)C1(CNC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CCOCC1 467724673 JGDUIFTYKLJGCS-UHFFFAOYSA-N 449.960 4.240 5 20 IIBD Cc1cc(C(=O)NCC(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)ccc1[N+](=O)[O-] 467834648 LIXQAPHBDICHEL-SHTZXODSSA-N 436.295 4.002 5 20 IIBD Cc1ccc(Cl)cc1CNC(=O)c1ccc([N+](=O)[O-])cc1I 468180196 QCZWOWWSIWFIHJ-UHFFFAOYSA-N 430.629 4.091 5 20 IIBD CCOc1cc(C(=O)N[C@H]2C[C@@H](OCc3ccccc3)C2(C)C)c([N+](=O)[O-])cc1OC 471693096 MADSTBGQIAVNCV-LEWJYISDSA-N 428.485 4.116 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3cc(Cl)c(=O)n(C)c3)cc2[N+](=O)[O-])n1 472870655 FORBPDVPUNFYID-UHFFFAOYSA-N 436.902 4.115 5 20 IIBD C[C@H](c1ccc(Cl)c(Cl)c1)N(C)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 476903020 HQGRMMVDJFEHOT-SNVBAGLBSA-N 447.296 4.055 5 20 IIBD CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)c1cccc(C)c1[N+](=O)[O-] 478968472 DNQCGPHXKWWGFO-KRWDZBQOSA-N 435.318 4.433 5 20 IIBD CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 478968620 YDALZQVAQVGGBO-SFHVURJKSA-N 435.318 4.054 5 20 IIBD COc1cc(S(=O)(=O)Nc2cnn(-c3ccc(C)cc3)c2C(C)C)ccc1[N+](=O)[O-] 480226097 GZRVDKHGWQJTNO-UHFFFAOYSA-N 430.486 4.022 5 20 IIBD Cc1nn(CCC(=O)NC2(c3cc(C(F)(F)F)ccc3Cl)CC2)c(C)c1[N+](=O)[O-] 482175848 CKRDOBOCGGZOHD-UHFFFAOYSA-N 430.814 4.276 5 20 IIBD COc1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1NC(=O)c1cccc(F)c1 482510190 WTUQPCCEWNSSLF-UHFFFAOYSA-N 439.399 4.256 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1cccc(Br)c1 482518666 JJBRHEPGZAIBCG-UHFFFAOYSA-N 439.331 4.368 5 20 IIBD CCCOc1cc(NC(=O)N2CC[C@H]3[C@@H](CCCN3C)C2)c([N+](=O)[O-])cc1OCCC 482749382 SSBCGMWHAGAZJN-WMZOPIPTSA-N 434.537 4.120 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 485360471 ZZLPNJVPIZBRNN-OAHLLOKOSA-N 432.527 4.395 5 20 IIBD Cc1ccc(F)c(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1Br 485907581 RMAXGXBBQWREKV-UHFFFAOYSA-N 437.265 4.488 5 20 IIBD O=C(c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1)C1CCC1 486082770 YEJNAFNSMMZSLN-UHFFFAOYSA-N 428.388 4.397 5 20 IIBD CC[C@H](NC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C)c1ncc(-c2ccccc2)[nH]1 486863385 CVSYZJKXNYZLPN-INIZCTEOSA-N 437.456 4.353 5 20 IIBD Cc1ccc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1C(=O)N(C)C(C)C 488202455 NUUNFGSIGGJHPU-UHFFFAOYSA-N 435.484 4.036 5 20 IIBD Cc1nc(CN2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3SCC(C)C)CC2)cs1 488949314 UXFROYRTFFAIRH-UHFFFAOYSA-N 448.614 4.456 5 20 IIBD CCOc1ccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1Br 490494662 WZSVTLWRRDEFHW-UHFFFAOYSA-N 431.246 4.194 5 20 IIBD COc1cc(CN2C[C@H](c3ccsc3)O[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F 490600226 ZYOCHOJCZXQDNF-KZULUSFZSA-N 428.457 4.271 5 20 IIBD COc1cc([C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(F)(F)F)cc(OC)c1OC 491574321 MELWLJMLOXBJAE-MRXNPFEDSA-N 448.781 4.307 5 20 IIBD COc1cc(CNC[C@H]2CCN(c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OCC(F)F 492196392 NSLNIZLJTVNERB-CQSZACIVSA-N 439.434 4.003 5 20 IIBD CN1CC[C@@H]2CCN(C(=O)c3ccc(NCc4ccccc4Cl)c([N+](=O)[O-])c3)[C@H]2C1 493439976 QFVOLLICMULBIE-VFNWGFHPSA-N 428.920 4.027 5 20 IIBD O=C(NCc1ccnc(OC2CCOCC2)c1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 499869842 LBAYKICLSUNUSP-UHFFFAOYSA-N 449.463 4.270 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1nc2c(F)c(F)ccc2s1 500622490 CZRZNWDBOGHNAX-UHFFFAOYSA-N 428.214 4.426 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)N1CC2(CCCCC2)C1 503258117 YGPJPZCLNIFKAF-UHFFFAOYSA-N 443.525 4.110 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 504092849 OWYPGNCKLXMRMZ-HUUCEWRRSA-N 430.530 4.358 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 505220615 YMQVMTUXWPHEHM-GMVOTWDCSA-N 434.876 4.337 5 20 IIBD COCCSc1ccc([C@H](C)Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])cc1 505598511 WXFUKMQZYZUGOS-HNNXBMFYSA-N 440.525 4.471 5 20 IIBD CCC[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(N2CCCC2)c1 505957376 SLXHHFYQTOIOLE-IBGZPJMESA-N 444.919 4.386 5 20 IIBD Cc1ccc(Sc2ccc(CN(C3CC3)[C@H]3CCS(=O)(=O)C3)cc2[N+](=O)[O-])cc1 507296862 CZTMZBCCXLZZED-SFHVURJKSA-N 432.567 4.206 5 20 IIBD C[C@@H]1c2ccsc2CCN1C(=O)c1ccc([N+](=O)[O-])cc1I 508803972 QMDZDICAMSEVLN-SECBINFHSA-N 428.251 4.020 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NCc1ccc(Cl)s1 509608494 MAUZRHSKNIEAJX-UHFFFAOYSA-N 436.658 4.153 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)cc1[N+](=O)[O-] 510056300 NKKATYWUWKHEBX-INIZCTEOSA-N 435.274 4.476 5 20 IIBD Cc1c(Br)cc(C(=O)N(Cc2ccccc2)Cc2cc[nH]n2)cc1[N+](=O)[O-] 511501274 YZQRNBVCJFKGOA-UHFFFAOYSA-N 429.274 4.231 5 20 IIBD O=[N+]([O-])c1cc(CN2CCC(c3ccnn3CCO)CC2)ccc1Oc1ccc(F)cc1 512802069 QINUNYNLCYPPDM-UHFFFAOYSA-N 440.475 4.095 5 20 IIBD O=C(Nc1nc2ccccc2n1-c1ccccc1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 517641091 FNKVPTPXQLNAMR-UHFFFAOYSA-N 425.404 4.440 5 20 IIBD Cc1cccc(Oc2ncccc2NC(=O)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1C 518132792 QXXDFVAHSWXWTO-INIZCTEOSA-N 434.452 4.215 5 20 IIBD Cc1cc(C(=O)CSc2ncccc2[N+](=O)[O-])c(C)n1C[C@H]1COc2ccccc2O1 518521934 SHGUICGUQPWBKB-INIZCTEOSA-N 439.493 4.223 5 20 IIBD Cn1ccnc1[C@@H](NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C1CC1 519842253 LUSKXHPYHLZFBX-FQEVSTJZSA-N 439.903 4.475 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)N1C[C@@H](C)C[C@@H](C)C1 520038190 NURJTWMFTSCTOR-IYBDPMFKSA-N 445.541 4.076 5 20 IIBD CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 520399305 KKGFMGSHHKZYJF-UHFFFAOYSA-N 433.346 4.010 5 20 IIBD COc1cc(OCC(=O)N(Cc2ccccc2F)c2ccccc2F)ccc1[N+](=O)[O-] 520637940 QVYXKDJJOPJYLC-UHFFFAOYSA-N 428.391 4.494 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@H](C)c2nc(C(C)(C)C)cs2)ccc1[N+](=O)[O-] 520732889 VTPRLAWYVCQYQY-RHSMWYFYSA-N 444.557 4.139 5 20 IIBD COc1ccc(CC[C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1OC 522368638 APSRKDNMTOKRRU-GOSISDBHSA-N 428.485 4.248 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NCc1ccc(O)c(F)c1 523424393 XLSDTLXVLLOEOG-UHFFFAOYSA-N 446.438 4.151 5 20 IIBD Cc1c(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cccc1C(=O)N1CCCC1 523957370 VBPXZTDPHKABAJ-UHFFFAOYSA-N 431.876 4.200 5 20 IIBD COc1ccc(CC(=O)N2c3ccccc3CC[C@H]2C(=O)Nc2ccccc2)cc1[N+](=O)[O-] 524313608 BDXVLWPYWXLSDO-NRFANRHFSA-N 445.475 4.133 5 20 IIBD COc1ccc(CC(=O)N2c3ccccc3CC[C@@H]2C(=O)Nc2ccccc2)cc1[N+](=O)[O-] 524313609 BDXVLWPYWXLSDO-OAQYLSRUSA-N 445.475 4.133 5 20 IIBD CC[C@@](C)(NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-])C(F)(F)F 530615926 DJRXJOLMRSUEKC-MRXNPFEDSA-N 433.408 4.100 5 20 IIBD Cc1ccccc1O[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 533461928 LNLXUOVSERDNEX-IEBWSBKVSA-N 431.876 4.002 5 20 IIBD COc1ccc(OC2CCN(C(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)CC2)cc1 533577196 DCXBFQCBMOOSRQ-UHFFFAOYSA-N 449.301 4.358 5 20 IIBD O=C(Nc1cccc(-c2ncco2)c1)c1cc(I)cc([N+](=O)[O-])c1 536563057 FRMBIXMWAIJBOY-UHFFFAOYSA-N 435.177 4.107 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](CNC(=O)c2ccccc2)C1 537156484 MHPFMLMNXSCUCJ-KRWDZBQOSA-N 441.553 4.378 5 20 IIBD Cc1nc([C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c2ccc(Cl)cc2)no1 539992107 LPPGERJIQQFSBV-IBGZPJMESA-N 441.875 4.059 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2oc3ccc(OC)cc3c2C)c([N+](=O)[O-])c1 541653093 FPJGLLLABSRCBX-KBPBESRZSA-N 427.457 4.344 5 20 IIBD COc1ccc(-c2ccc(CNc3nnc(-c4ccc5c(c4)OCO5)o3)o2)c([N+](=O)[O-])c1 541833686 KIVDNNKIKGDYSL-UHFFFAOYSA-N 436.380 4.254 5 20 IIBD CCc1ccc([C@@H](Nc2cccc3c2CCN3C(=O)COC)c2ccc([N+](=O)[O-])cc2)o1 544572481 LHAWMTLZSFHVAO-DEOSSOPVSA-N 435.480 4.487 5 20 IIBD CCn1c([C@H]2CCCN2S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)nc2ccccc21 544665297 NNQDUEOIYITUEJ-GOSISDBHSA-N 428.514 4.107 5 20 IIBD Cc1c(Br)cc(-c2nc(-c3ccc(C(=O)NC4CC4)cc3)no2)cc1[N+](=O)[O-] 545625028 JZDBQGLKXVAWCT-UHFFFAOYSA-N 443.257 4.275 5 20 IIBD C[C@@H](c1nc(Cc2ccn(-c3c(F)cccc3F)n2)no1)c1ccc([N+](=O)[O-])cc1F 547237702 RRTHOINXTHUXIJ-LLVKDONJSA-N 429.358 4.323 5 20 IIBD O=C(Nc1cccc(C(=O)N2CCSCC2)c1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 549887124 DTHMNMPERBTRRC-UHFFFAOYSA-N 439.415 4.055 5 20 IIBD C[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccc(Br)cc1F 558581887 SBVRBCDFUPIGPZ-NSHDSACASA-N 433.237 4.173 5 20 IIBD C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 569632361 IGUUSVJIWPEMAV-NSHDSACASA-N 446.257 4.262 5 20 IIBD CC[C@H](C)c1ccc(N(Cc2nnc(C)o2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 571064440 QJCVICVKONLQLI-AWEZNQCLSA-N 430.486 4.195 5 20 IIBD COc1cc(NC(=O)c2ccc([N+](=O)[O-])s2)c(C(=O)N2[C@H](C)CCC[C@H]2C)cc1OC 603597101 YDVAFQPWVKGBCK-CHWSQXEVSA-N 447.513 4.329 5 20 IIBD COCCOc1cc(C)ccc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 603986939 YMSWIVSLJNTGPF-UHFFFAOYSA-N 428.363 4.122 5 20 IIBD COc1ccc(CNC(=O)Nc2ncc(Cc3ccc(C)c(F)c3)s2)cc1[N+](=O)[O-] 604083147 LECATFPIAONQQF-UHFFFAOYSA-N 430.461 4.420 5 20 IIBD CCN(CC)C(=O)COc1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1Cl 604095396 PEDCAGWINCQVJW-UHFFFAOYSA-N 444.875 4.229 5 20 IIBD COc1cc(C(=O)N2c3ccccc3CC[C@H]2C(=O)Nc2ccc(F)cc2)ccc1[N+](=O)[O-] 608872808 QTGIZYCAJRBYPN-NRFANRHFSA-N 449.438 4.343 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCC(C(=O)OC(C)(C)C)CC3)cc2[N+](=O)[O-])CC1 608988935 LVCTWGRDHBWGIU-UHFFFAOYSA-N 431.533 4.025 5 20 IIBD Cc1cc(Oc2ccccc2)ccc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 609452164 WNDXFGRPHXUTPE-UHFFFAOYSA-N 433.468 4.445 5 20 IIBD Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)C2)c1 610046768 GODHTIGFNKLKHA-HXUWFJFHSA-N 438.528 4.286 5 20 IIBD COc1cc(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)cc([N+](=O)[O-])c1OC 610169604 NPJUVOIVRPWCCE-UHFFFAOYSA-N 426.400 4.473 5 20 IIBD COc1ccc(OCCSc2nnc(-c3ccncc3)n2-c2ccccc2)c([N+](=O)[O-])c1 610217015 CCTSFYCLGZLNLI-UHFFFAOYSA-N 449.492 4.417 5 20 IIBD CCOc1cc(NC(=O)N[C@H]2CCOc3cc(OC)ccc32)c([N+](=O)[O-])cc1OCC 610318071 SRUYNEPRJZAWOI-HNNXBMFYSA-N 431.445 4.046 5 20 IIBD O=C(Nc1nnc(Cc2ccccc2)s1)c1sc(Br)cc1[N+](=O)[O-] 618344416 JTKSPNQVVQNNPK-UHFFFAOYSA-N 425.289 4.113 5 20 IIBD COc1ccc(NC(=O)[C@H](OC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])c2ccccc2)cc1 725934841 AKJYSYISGRYMLY-HXUWFJFHSA-N 442.374 4.418 5 20 IIBD CCc1ccc([C@H](C)NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1 725985324 KQVQLEOCQFOXBB-STQMWFEESA-N 449.301 4.342 5 20 IIBD COC1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)cc2C(F)(F)F)CC1 728083318 MFKXIXVVSBQHRD-UHFFFAOYSA-N 439.390 4.187 5 20 IIBD C[C@@H](OC(=O)CSCc1nc(O)c2c3c(sc2n1)CCC3)c1cccc([N+](=O)[O-])c1 729620626 SBBRWPAWKRMKBE-LLVKDONJSA-N 445.522 4.331 5 20 IIBD COc1ccc(CC(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)cc1[N+](=O)[O-] 730182461 GJNDNAJCLJPTQQ-UHFFFAOYSA-N 431.876 4.064 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 731057008 NIYAQUBRGOXVNE-QHCPKHFHSA-N 441.503 4.310 5 20 IIBD Nc1ccc(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)cc1[N+](=O)[O-] 731650065 ZFHLGSHZWDAPNL-UHFFFAOYSA-N 431.452 4.020 5 20 IIBD CC(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 731956950 NRYRXIMKVODFQW-UHFFFAOYSA-N 449.485 4.292 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1cccc(-c2ccccc2OC)c1 732122597 RPNDQXVJQKLHCD-UHFFFAOYSA-N 436.420 4.109 5 20 IIBD O=C(N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1cc([N+](=O)[O-])ccc1N1CCCC1 734448530 NYWJFTJJEHUIDK-MRXNPFEDSA-N 448.445 4.223 5 20 IIBD CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl 735472521 SJIPMKYSPFQISL-HXUWFJFHSA-N 427.929 4.236 5 20 IIBD COC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)c1cccc(C(F)(F)F)c1 735639031 WVDZIFXHCKSVTC-OAHLLOKOSA-N 441.362 4.256 5 20 IIBD O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccccc1SC[C@H](O)c1ccccc1 736538194 UHAAWUBPBPEKBZ-SFHVURJKSA-N 448.497 4.360 5 20 IIBD O=C(Nc1cccnc1)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 739539950 WUNIOKCHTNIZIE-UHFFFAOYSA-N 442.225 4.224 5 20 IIBD Cc1c(C(=O)NCc2ccc(C(=O)OC(C)(C)C)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 742810016 KTGKYTAEEINIJI-UHFFFAOYSA-N 429.429 4.005 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1ccnc(F)c1 743188780 JILAABKWNRIYCT-GOSISDBHSA-N 429.791 4.319 5 20 IIBD CCCCC[C@H](C)CC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 744350319 ROIIRJFGLLBOHN-ZDUSSCGKSA-N 425.532 4.429 5 20 IIBD CC1CCC(N(C(=O)COC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C2CC2)CC1 745568735 SLCQRXDDAWHCBQ-UHFFFAOYSA-N 428.407 4.340 5 20 IIBD NC(=O)c1ccccc1Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 746006904 XXNGCTHGGHFATK-UHFFFAOYSA-N 446.463 4.339 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccccc2Br)c(C(F)(F)F)c1 746613511 YLVPQBPIAOHURV-UHFFFAOYSA-N 426.166 4.144 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(c2nc(C(C)(C)C)cs2)CC1 750068296 RXSGCSJZERBRAM-UHFFFAOYSA-N 432.546 4.176 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C 750112514 RQWIIYFPYKAERW-INMHGKMJSA-N 435.546 4.076 5 20 IIBD Cc1cccnc1C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 750524194 PZLASMXUSRNNDI-LJQANCHMSA-N 425.828 4.488 5 20 IIBD O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCC(c2noc3cc(F)ccc23)CC1 753028909 ZXCMXBDWGAYNBQ-UHFFFAOYSA-N 449.236 4.052 5 20 IIBD Cn1ccnc1[C@@H](NC[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 753588004 YCGDDSHYTMOHOE-WMZHIEFXSA-N 443.548 4.045 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@@H](OC(C)(C)C)c1ccccc1 754313133 PPZHBHKXQYSVTN-KUHUBIRLSA-N 430.457 4.030 5 20 IIBD Cc1c(C(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 754717777 YYABDBHXMLBYKG-APWZRJJASA-N 431.420 4.251 5 20 IIBD CCCOC(=O)c1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1 754960161 VRHRWSRRAIMBNC-UHFFFAOYSA-N 425.210 4.316 5 20 IIBD O=C(COC(=O)c1cnc(Cc2ccccc2)s1)Nc1cc([N+](=O)[O-])ccc1Cl 756531239 AWNBJOXQGKNIPD-UHFFFAOYSA-N 431.857 4.091 5 20 IIBD CN(C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C1CCC(NC(=O)OC(C)(C)C)CC1 757256282 NEYJCOWBXFABCA-UHFFFAOYSA-N 440.928 4.226 5 20 IIBD Cc1ccc([C@@H]2C[C@H](OC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)CCO2)cc1 757490215 ZZBWJZYCKPVXBR-SQNIBIBYSA-N 444.509 4.033 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 758803362 TULIMINOQDMLDG-HKUYNNGSSA-N 448.564 4.252 5 20 IIBD Cc1c(C(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)cc([N+](=O)[O-])cc1[N+](=O)[O-] 762475735 RXUJNVIWWFNTSR-UHFFFAOYSA-N 435.318 4.268 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 764282012 FUKZHGRVQWPFRR-UHFFFAOYSA-N 428.426 4.042 5 20 IIBD Cn1ccnc1[C@@H](CCc1ccccc1)OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 764676075 AJALBGOWBCBPHZ-OAQYLSRUSA-N 431.452 4.045 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)Nc1ncc(Cl)cc1Cl 766230191 DWNDFLCZTIZYDL-VIFPVBQESA-N 435.223 4.029 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 768171232 ZQVLCFFLAUCHPE-UHFFFAOYSA-N 428.426 4.016 5 20 IIBD COc1ccc(CC(=O)N(Cc2ccccc2)C[C@H](O)c2cccc(C)c2)cc1[N+](=O)[O-] 768357642 FYJKSKCXXOOBJO-QHCPKHFHSA-N 434.492 4.217 5 20 IIBD COc1cc(C)c([C@@H](C)OC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1C 770017972 ARSXWCBWAKZSMB-GDBMZVCRSA-N 432.498 4.191 5 20 IIBD O=C(NCCOC(=O)C1(Cc2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])cc1Cl 771259009 LMSIDJRYXKVDST-UHFFFAOYSA-N 437.279 4.198 5 20 IIBD COc1ccc(CSCC(=O)Oc2ccc([C@](C)(O)C(F)(F)F)cc2)cc1[N+](=O)[O-] 772994561 BBXFOHKIIRFCJM-SFHVURJKSA-N 445.415 4.212 5 20 IIBD COc1ccc(C(=O)COC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1Cl 773601310 XAESXLDFKHZEFS-UHFFFAOYSA-N 434.651 4.121 5 20 IIBD O=C(O[C@H]1CCO[C@@]2(CCOC2)C1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 774938353 CWNLJIJSOLWIMU-JTSKRJEESA-N 446.887 4.355 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(NC(=O)Oc2ccccc2)CC1 775484435 VPEXDEDXWQPWGO-UHFFFAOYSA-N 443.525 4.489 5 20 IIBD C[C@H](OC(=O)c1cccc(Cl)c1O)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 775933105 GJHKXCBWQQQCOK-QMMMGPOBSA-N 432.738 4.157 5 20 IIBD CC(C)(C)OC(=O)N1CCCc2c(C(=O)NCCNc3ccccc3[N+](=O)[O-])cccc21 778319709 QISCWNWCGRBTMR-UHFFFAOYSA-N 440.500 4.124 5 20 IIBD CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 780659113 MEPYBSXGUFJLAM-QGZVFWFLSA-N 437.540 4.351 5 20 IIBD Cc1c(C(=O)OC[C@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])cnn1C1CCCCC1 781455647 IHWQSKUEWPHXQH-GOSISDBHSA-N 440.500 4.067 5 20 IIBD O=C(Nc1ccccc1)Nc1cccc(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c1 781594633 CXFAFVZCTVGPGO-OAQYLSRUSA-N 445.435 4.371 5 20 IIBD CC1CCN([C@@H](CNC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2)CC1 781607741 XBWATDYTZCFAIC-QFIPXVFZSA-N 440.500 4.025 5 20 IIBD Cc1ccc([C@H](C)NC(=O)COC(=O)c2cccc([N+](=O)[O-])c2Br)cc1C 781674531 HXEVYSDNDOVBBD-ZDUSSCGKSA-N 435.274 4.008 5 20 IIBD C[C@@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1cccc(OCc2ccccn2)c1 782532185 QGFYMQQFNCSJGI-MRXNPFEDSA-N 438.459 4.387 5 20 IIBD COc1ccc(-c2nc(COC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])no2)cc1 783960213 WUVXTLIWYLGURF-UHFFFAOYSA-N 435.845 4.142 5 20 IIBD CC1([C@@H]2CCCN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)C2)OCCO1 784780313 XKCHWSLQSMPZEU-QGZVFWFLSA-N 428.510 4.361 5 20 IIBD Cc1ccc(Br)nc1C(=O)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 786636446 GWIYBWIIHYZINK-SFHVURJKSA-N 428.242 4.402 5 20 IIBD COC[C@@H](C)n1c(C)cc(C(=O)COc2cc([N+](=O)[O-])ccc2Br)c1C 786746878 MMFQDFGJJDAGLD-GFCCVEGCSA-N 425.279 4.245 5 20 IIBD CC1CCN(c2nnc(SCc3ccc([N+](=O)[O-])c(F)c3)n2Cc2ccco2)CC1 787491316 OXVVJKFINUDIPN-UHFFFAOYSA-N 431.493 4.495 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccc(OCc2noc(C3CC3)n2)cc1 790553083 AXCIJQLYEALEMJ-UHFFFAOYSA-N 446.822 4.408 5 20 IIBD Cc1c(Br)cc(N)cc1C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 792399062 BOSJALVAAOKOFY-SNVBAGLBSA-N 447.245 4.216 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)cc1[N+](=O)[O-] 793019544 SCKCYGCMKNPGCJ-CRAIPNDOSA-N 445.541 4.007 5 20 IIBD C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 794805471 WUNJLYIWSTVLGG-SGTLLEGYSA-N 425.363 4.484 5 20 IIBD C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N2CCCNC2=O)cc1 794929284 JXPCZIMFSXHWMY-ZDUSSCGKSA-N 448.932 4.137 5 20 IIBD C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1nc2ccccc2n1C(F)F 795774254 OOOGLARLRYIAKY-MRVPVSSYSA-N 448.810 4.172 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Oc2ccccc2CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] 795986358 WDGKAVPTBSTHNW-UHFFFAOYSA-N 436.486 4.004 5 20 IIBD O=[N+]([O-])c1ccc(F)cc1CN[C@@H](CO)c1ccc(Br)cc1C(F)(F)F 796575136 VLYKMLWBRCPSQJ-AWEZNQCLSA-N 437.187 4.338 5 20 IIBD CC(C)(C)OC(=O)N1CCC(c2csc(NC(=O)Cc3cccc([N+](=O)[O-])c3)n2)CC1 807885715 PGVFOSZKDGLTGX-UHFFFAOYSA-N 446.529 4.347 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1ccnc(C(F)(F)F)c1 807990443 BWAYOCMTXOQLFG-UHFFFAOYSA-N 435.362 4.109 5 20 IIBD COc1cc(Br)c(C(=O)COc2ccc(Cl)c([N+](=O)[O-])c2)cc1OC 808056571 ASGYFQLIIFRZIE-UHFFFAOYSA-N 430.638 4.290 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(Cl)c(SC(=O)N(C)C)c2)cc1C 808117286 QQGRZJGZQWLOHT-UHFFFAOYSA-N 443.934 4.440 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NC[C@H](c2ccco2)N2CCCCC2)c1Cl 809387809 MBKPZFHATIXXMO-CQSZACIVSA-N 448.328 4.000 5 20 IIBD COCC[C@@H](NC(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)C(=O)OC 812393333 MFLITDGIMOHDSY-OAQYLSRUSA-N 431.488 4.241 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 813247176 YSSDVKPJLVSKHL-UHFFFAOYSA-N 449.850 4.339 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1c(O)cnc3c(Br)cccc13)CC2 813507791 UTQFLXNOVUYCBZ-UHFFFAOYSA-N 428.242 4.122 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 814152466 HTHBKZFTQUORCA-HBFSDRIKSA-N 431.533 4.021 5 20 IIBD O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NC1CCN(Cc2ccc(Cl)cc2)CC1 917016637 YIZCPJFUMGYQKD-UHFFFAOYSA-N 428.920 4.217 5 20 IIBD CCOc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)o1 917296655 FBHBXFJHCHUXJN-LLVKDONJSA-N 432.433 4.302 5 20 IIBD Cc1ccccc1NC(=O)COC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 920548228 RVSZNVPYSBKBME-INIZCTEOSA-N 434.452 4.267 5 20 IIBD CCCN(CCC)S(=O)(=O)c1ccc(-c2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1 1261569009 QOWNSKYIBRZHNF-UHFFFAOYSA-N 430.486 4.123 5 20 IIBD C[C@@H](OC(=O)c1ccccc1NC(=O)c1cccs1)C(=O)Nc1ccccc1[N+](=O)[O-] 1317772508 REEKAAWPKNMNAA-CYBMUJFWSA-N 439.449 4.093 5 20 IIBD O=C(NCc1ccc(-n2cnc3ccccc32)nc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1319121992 VAUGHIZZMTWHPE-UHFFFAOYSA-N 441.369 4.278 5 20 IIBD COc1ccc(Br)c(-c2nnc(-c3ccn(-c4cccc([N+](=O)[O-])c4)n3)o2)c1 1326301015 DQDZWUNPXDWTKS-UHFFFAOYSA-N 442.229 4.269 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccc(C2(NC(=O)C3CC(F)(F)C3)CCC2)cc1 1786205582 IJZJGOFQBCVHNQ-SOFGYWHQSA-N 445.422 4.380 5 20 IIBD Cc1c[nH]c(C)c1CCC(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1 1790184399 NPUYYLSEWKFUKS-UHFFFAOYSA-N 449.511 4.248 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)NC1(c2ccc(NC(=O)[C@H]3CCCS3)cc2)CCC1 1792009550 NTSQAJLOPIXPBH-XSFOEPMVSA-N 441.509 4.231 5 20 IIBD C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C2)c1cccs1 1802860309 NTQXWXWHTMJRBG-PAOAKCCESA-N 439.537 4.111 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccc2cc[nH]c2c1 1804342681 WNYZUMYPCMOHTD-YSUBUNCUSA-N 444.491 4.041 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC2(CCCN(C(=O)c3cc(Cl)ccc3F)C2)CC1 1805136265 KJSSIFVCKVHLOQ-UHFFFAOYSA-N 449.866 4.139 5 20 IIBD CC(C)=CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)n[nH]1 1814970225 XGFHXIVFXDWWSG-SXAWMYDMSA-N 441.488 4.363 5 20 IIBD CC(C)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830616178 UUZWGVGVFXQJQE-NRFANRHFSA-N 433.524 4.403 5 20 IIBD Cc1ccc(CC(=O)N2CCCC23CN(C(=O)CC2CCC(C)(C)CC2)C3)cc1[N+](=O)[O-] 1845205813 XNVPPXPQTXUEQA-UHFFFAOYSA-N 441.572 4.256 5 20 IIBD Cc1cc(F)cc(C(=O)N2CCCC23CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)C3)c1 1845323523 UNRUKMOUCGRVMN-UHFFFAOYSA-N 445.878 4.135 5 20 IIBD O=C(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1cc(Cl)ccc1Cl 10734062 YFIWJNYBEQZOEE-UHFFFAOYSA-N 438.267 4.297 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Sc1c(Cl)cccc1Cl 15173074 NMQUAVZDUYQFEK-UHFFFAOYSA-N 449.337 4.074 5 20 IIBD O=C(Oc1ccc(Br)cc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1 15316678 FEUYJYCRXXSUPZ-UHFFFAOYSA-N 441.665 4.067 5 20 IIBD CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 15968051 ZOJIINCZRJGCOP-RUDMXATFSA-N 441.793 4.377 5 20 IIBD O=C(c1ccccc1)c1ccc(N2CCC[C@@H](c3nnc4ccccn34)C2)c([N+](=O)[O-])c1 18175078 LEOATBTWIXTHDX-LJQANCHMSA-N 427.464 4.253 5 20 IIBD COc1ccc(Cl)cc1CC(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 24220312 NFXJAVJRPCTTOY-JTQLQIEISA-N 427.240 4.023 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC(c2nc3ccccc3[nH]2)CC1 25846524 GSWOCUZKWBEBNQ-UHFFFAOYSA-N 436.515 4.437 5 20 IIBD Cc1cc(Cl)ccc1OCC(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 28670015 UIMHTIOZIYJAIV-NSHDSACASA-N 427.240 4.159 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NCCc1ccc([N+](=O)[O-])cc1 64421365 PXQAEKJOKRMUQG-UHFFFAOYSA-N 444.466 4.488 5 20 IIBD C[C@H](Nc1cccc(COc2ccc3c(c2)OCO3)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 108418385 PYXZBTFGEOZTGK-HNNXBMFYSA-N 435.436 4.342 5 20 IIBD C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 117514982 VABXMQHJXGTOIN-IAGOWNOFSA-N 425.485 4.121 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@H](c3nc4ccccc4[nH]3)C(C)C)cc2)c(C)c1[N+](=O)[O-] 248249821 RWVFXOWUUDUSIL-NRFANRHFSA-N 446.511 4.460 5 20 IIBD CS(=O)(=O)c1cccc(NCc2cn(-c3ccccc3)nc2-c2ccccc2)c1[N+](=O)[O-] 301864291 DBYFXDSFSGNKPF-UHFFFAOYSA-N 448.504 4.463 5 20 IIBD COc1cc(N2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn34)C2)c(F)cc1[N+](=O)[O-] 301920565 FRFDZQFJTRNDPF-LLVKDONJSA-N 439.369 4.188 5 20 IIBD COC(=O)[C@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccc(C)cc1 426385948 SUCQCNJUUIGEPT-JOCHJYFZSA-N 448.475 4.169 5 20 IIBD O=[N+]([O-])c1ccc(OC(F)F)c(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)c1 427105007 UFOBCLKLBINGCO-UHFFFAOYSA-N 446.281 4.035 5 20 IIBD CC(C)(C(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1ccc([N+](=O)[O-])cc1F 430465107 OWSBYNGSQIDJBK-OFNKIYASSA-N 432.467 4.041 5 20 IIBD C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccc(NC(=O)C2CC2)cc1 431628066 MPTJQDWCQVGDIK-LLVKDONJSA-N 432.274 4.197 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3sc(C)nc3CC(C)C)CC2)ccc1[N+](=O)[O-] 432248294 YLMSUJPEKZXDPO-UHFFFAOYSA-N 447.561 4.311 5 20 IIBD Cc1nn(-c2ccc(F)cc2)cc1CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 436098669 FHKVCKOYBDTZSL-UHFFFAOYSA-N 426.451 4.245 5 20 IIBD COc1ccc(NC(=O)c2cc(Br)c(O)c(Br)c2)cc1[N+](=O)[O-] 436741207 SJBHRFMGWGNYOV-UHFFFAOYSA-N 446.051 4.086 5 20 IIBD CC(C)[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1nc(-c2ccncc2)no1 437259676 BFMPZXOKSBYYPA-HNNXBMFYSA-N 435.362 4.186 5 20 IIBD CCOc1ccc([C@@H]2C[C@H]2NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 437897701 RAFKFXIJGJUDDE-FCHUYYIVSA-N 425.485 4.102 5 20 IIBD O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1ccc2cc([N+](=O)[O-])ccc2n1 440696837 UATFSDZRILGYCW-UHFFFAOYSA-N 429.461 4.700 5 20 IIBD Cc1ccc(NC(=O)C(=O)N2CCCCC[C@@H]2c2noc(-c3ccccc3)n2)cc1[N+](=O)[O-] 442462277 UVYDIGGWBZEOQB-GOSISDBHSA-N 449.467 4.036 5 20 IIBD O=[N+]([O-])c1cc2c(c(CS(=O)(=O)[C@@H]3CCc4c(Cl)cc(Cl)cc43)c1)OCOC2 443435972 KWYIUWJPAWIGQS-QGZVFWFLSA-N 444.292 4.370 5 20 IIBD CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 444126958 MWRLFWBSQXYMCM-UHFFFAOYSA-N 440.547 4.455 5 20 IIBD CC[C@H](C)NC(=O)c1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 445178477 IBJMZFZSNSKZIB-VIFPVBQESA-N 426.292 4.199 5 20 IIBD CCOc1ccccc1Oc1ccc(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cn1 445508056 ZHMRYJYDCVPIOE-UHFFFAOYSA-N 448.479 4.449 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1 447279427 REXRBOONECCAOT-UHFFFAOYSA-N 435.402 4.365 5 20 IIBD C[C@@H]1[C@H](c2ccccc2)CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 461589165 VUQGXURPHFYGHU-KGVIQGDOSA-N 433.512 4.272 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(NC(=O)c2ccccn2)c1 462440591 LNSYKXVSQPAJRC-IBGZPJMESA-N 432.480 4.127 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H](n2cccn2)Cc2ccccc21 464422799 SGXIDLWEJJUCSQ-YOEHRIQHSA-N 426.860 4.043 5 20 IIBD C[C@@H](O)CCN(C)C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 464744392 JASWPNOYHABHDU-OVGFGYAMSA-N 425.510 4.365 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 469590315 GTVVAEOVGKMREB-INIZCTEOSA-N 444.879 4.307 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1 470138715 SEJROMARKAICON-INIZCTEOSA-N 433.440 4.340 5 20 IIBD O=C(Nc1ccc(OCc2ccccn2)c(F)c1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 470408488 PRKNUMNAZNODCT-UHFFFAOYSA-N 438.415 4.003 5 20 IIBD COC[C@@H](NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1ccc(C)o1 471507069 KKMHOOCHHSYJLF-OAHLLOKOSA-N 439.255 4.106 5 20 IIBD Cc1c(C(=O)Nc2cc3c(cc2NC(=O)c2cccs2)OCCO3)cccc1[N+](=O)[O-] 473466873 XJZRPHAHWMSWRC-UHFFFAOYSA-N 439.449 4.241 5 20 IIBD O=[N+]([O-])c1cc2ccccc2nc1Sc1nnc(CN2CCCC2)n1-c1ccccc1 473505248 AZBVNYKJKKWKLK-UHFFFAOYSA-N 432.509 4.471 5 20 IIBD C[C@@H](Sc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C)C(=O)c1ccccc1C(F)(F)F 473795528 JUSOEKRMIJZOAH-SNVBAGLBSA-N 437.399 4.224 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)OC(C)C 474143147 CJLMNKNECHHWGG-JOCHJYFZSA-N 427.501 4.444 5 20 IIBD O=[N+]([O-])c1cc(Br)cnc1N1CCO[C@@H](c2cccc(Br)c2)C1 474776817 PVJDYRCIXUTRDL-CQSZACIVSA-N 443.095 4.093 5 20 IIBD Cc1c(CNC(=O)N2CCO[C@H](c3ccc(Br)cc3)[C@@H]2C)cccc1[N+](=O)[O-] 480058102 JSIVUBYYIPDOSH-LIRRHRJNSA-N 448.317 4.337 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1[N+](=O)[O-] 480690686 SYTPAQUJVRTDDB-GFCCVEGCSA-N 449.476 4.255 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(CCc1ccccc1)Cc1ccncc1 481363952 MVEVXZUJEZHLSW-UHFFFAOYSA-N 425.510 4.040 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)CCCc1cc(-c2ccccc2)no1 481372023 MBCHEHGTQXLJHY-UHFFFAOYSA-N 429.498 4.120 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NS(=O)(=O)c1c([N+](=O)[O-])ccc(C)c1C 481605619 OFQGASSIZIQURI-CQSZACIVSA-N 445.541 4.193 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCOc1ccc(C(F)(F)F)cn1 481686710 BPZPZQGIHLUUAU-LBPRGKRZSA-N 429.420 4.075 5 20 IIBD COc1ccc(-c2ccc(NS(=O)(=O)Cc3ccccc3[N+](=O)[O-])nc2)cc1Cl 481850505 YGFWSAHTJYOPMF-UHFFFAOYSA-N 433.873 4.261 5 20 IIBD C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 482358573 QMQNIGSRBWSCNB-GOSISDBHSA-N 446.507 4.101 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)N1CCN(CC2CC2)CC1 483095743 AKIGVMIOVCJOGW-UHFFFAOYSA-N 428.920 4.028 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)c(C)c([N+](=O)[O-])c1 485962215 CGYFFNAHBDHCHV-UHFFFAOYSA-N 431.420 4.066 5 20 IIBD O=C(CCN1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1)Nc1ccc([N+](=O)[O-])cc1 486859293 YJEUKYCVQHCJRO-HOYKHHGWSA-N 447.495 4.027 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1N1CCNC1=O 488659868 VAPCXPNEUTUGDP-UHFFFAOYSA-N 445.479 4.297 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)cc1[N+](=O)[O-] 489436447 MZJSOAQMOOPYQZ-MRXNPFEDSA-N 433.468 4.111 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N[C@H]2CCN(c3ccccc3OC(F)F)C2)cc1[N+](=O)[O-] 489555715 RZFPILRNSABWPV-HOCLYGCPSA-N 434.443 4.144 5 20 IIBD COc1ccccc1[C@@H](C)CC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 490038197 YHOBBIABHYXMMS-ZDUSSCGKSA-N 425.407 4.344 5 20 IIBD CCC1(CO)CCN(C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 497353938 XIPQYKQQJUHSJO-UHFFFAOYSA-N 442.537 4.172 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2ncco2)cc1 500405768 BIJCSJLYIJWHJQ-UHFFFAOYSA-N 427.438 4.157 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N(Cc1csc(Br)c1)C1CC1 502450112 GBSNEPWFANKHCB-UHFFFAOYSA-N 447.314 4.409 5 20 IIBD COCCSc1ccc([C@@H](C)NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1 504703815 QHHINXKZYKAKRL-OAHLLOKOSA-N 426.498 4.010 5 20 IIBD COCCN(C(=O)c1cn2cc(C)nc2s1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 505381145 DGEQSNSDBXBPQM-UHFFFAOYSA-N 443.510 4.029 5 20 IIBD C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1cc2c(cc1Br)OCCO2 507015102 NPDSLVUFKNBOLD-SNVBAGLBSA-N 448.273 4.186 5 20 IIBD CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 507837436 RPQCZTXTXJNOEW-LBPRGKRZSA-N 439.390 4.317 5 20 IIBD Cc1ccc([C@@H]2OCCC[C@@H]2Nc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)cc1 509553721 OEBGPAZPQZNVFC-RXVVDRJESA-N 440.887 4.435 5 20 IIBD COc1cc(C(=O)N[C@H](C)c2c(F)cccc2F)c([N+](=O)[O-])cc1OCc1cscn1 509956988 PSAFNUOEAJPRFE-LLVKDONJSA-N 449.435 4.408 5 20 IIBD CCOc1ccc(C2(CNC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)CCOCC2)cc1 510127624 OATCFKDEALXLEJ-QGZVFWFLSA-N 444.553 4.339 5 20 IIBD O=[N+]([O-])c1cccc(N2CCN(Cc3cn(-c4ccccc4)nc3-c3ccncc3)CC2)c1 510504651 AYYODJGJSWXAPS-UHFFFAOYSA-N 440.507 4.165 5 20 IIBD CCc1cccc(Oc2ccc(NC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)cn2)c1 513277283 OOCIMAVQQCJBRJ-UHFFFAOYSA-N 441.465 4.000 5 20 IIBD O=C(Nc1ccc2nc3n(c(=O)c2c1)CCC3)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 514558623 AADHIRKNAUFQPH-UHFFFAOYSA-N 442.431 4.296 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@@H](OCC(F)(F)F)C1 515614666 FHGYJCTWWDYKIT-LLVKDONJSA-N 446.369 4.276 5 20 IIBD C[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1cccc(OCc2ccccn2)c1 515968766 VKGIFUSPWYPLQY-KRWDZBQOSA-N 443.463 4.246 5 20 IIBD Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1F 517451310 QZFAVWDDSOTJBQ-SFHVURJKSA-N 432.249 4.354 5 20 IIBD C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)NCc1ccc([N+](=O)[O-])cc1)OCCO3 517499359 VMXQSPSHMLAKMX-INIZCTEOSA-N 437.496 4.464 5 20 IIBD CCCO[C@@H]1CCCN(C(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])CC1 521725980 HTJVEEUYALRBNH-MRXNPFEDSA-N 449.529 4.060 5 20 IIBD COCCN([C@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C 521771898 IWJLSBJZPLOODA-CQSZACIVSA-N 446.447 4.320 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](Cc1ccc(C)cc1)c1ccccn1 522380206 ZOEFYBLGPBVRPP-DYESRHJHSA-N 434.496 4.207 5 20 IIBD COc1ccc(Oc2cc(CNC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)ccn2)cc1 524555002 RUKCDUMWMWSDFE-UHFFFAOYSA-N 427.844 4.303 5 20 IIBD Cc1ccccc1-c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2I)n[nH]1 527365389 LKCXMCUKGFKWIG-UHFFFAOYSA-N 448.220 4.150 5 20 IIBD CCCCn1ccnc1-c1cccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 531914887 DUPPTDNUQJQRBZ-UHFFFAOYSA-N 449.515 4.008 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](c2ccccc2Cl)OC[C@H]1C 533304352 NEXCSJRXCZTXRF-JLTOFOAXSA-N 433.892 4.047 5 20 IIBD COc1ccc([C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)c2ccccc2OC)cc1 533959003 ZHUKZCAGAQIQOM-HSZRJFAPSA-N 435.480 4.243 5 20 IIBD COc1ccc(OC)c(NC(=O)CSCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1 534792772 BYIDNESEOSZVKB-UHFFFAOYSA-N 429.454 4.139 5 20 IIBD CCSCc1ccnc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c1 535632683 DXTDQSZTYRIADZ-UHFFFAOYSA-N 425.514 4.357 5 20 IIBD CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 536480340 HYFIPMHRMIALCK-UHFFFAOYSA-N 434.418 4.299 5 20 IIBD CCOC(=O)c1sc2[nH]c([C@H](C)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)nc(=O)c2c1C 537178559 NVMGFTSKMQBAKE-STQMWFEESA-N 444.513 4.098 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3C[C@@H](O)CN3Cc3ccccc3)o2)c(Cl)c1 537321250 PJMVIRNTJYFBIB-RTBURBONSA-N 441.915 4.233 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 538236437 MOOOVZYEZXJMCN-MRXNPFEDSA-N 433.574 4.206 5 20 IIBD COc1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)ccc1[N+](=O)[O-] 538858461 WEANFFUZFJOOGV-QFIPXVFZSA-N 433.420 4.099 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 539318812 KAPIXNWCOSBYBA-PXNSSMCTSA-N 449.479 4.075 5 20 IIBD Cc1cc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])nn1-c1ccccc1Cl 539599704 XSVUGHXMDBFXAA-UHFFFAOYSA-N 427.269 4.197 5 20 IIBD CN(CCCCCc1cc(-c2ccccc2)n[nH]1)c1cc2ncnc(O)c2cc1[N+](=O)[O-] 540287538 LKAVFRFNYHXIIS-UHFFFAOYSA-N 432.484 4.483 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)c1 540610252 CIAROMMMGOTNAN-UHFFFAOYSA-N 437.471 4.478 5 20 IIBD O=C(c1ccccc1)c1ccc(NCc2ccccc2CN2CC[C@@H](O)C2)c([N+](=O)[O-])c1 542863100 BMILTXQVANFKML-JOCHJYFZSA-N 431.492 4.005 5 20 IIBD CN(C)c1cc(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2n1 544051500 URTISPHYDQZZQB-UHFFFAOYSA-N 430.917 4.271 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)NCc1ccnc(Oc2cccc(C)c2C)c1 544313756 FMWGDRJCNLAQFK-UHFFFAOYSA-N 436.468 4.407 5 20 IIBD CCc1ccc([C@@H](NC[C@H](O)COc2ccc(F)c(F)c2)c2ccc([N+](=O)[O-])cc2)o1 544361155 YEIONNRPKLFNME-AOMKIAJQSA-N 432.423 4.147 5 20 IIBD O=C(NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1)Nc1ccc([N+](=O)[O-])cc1F 544622880 YAITYGUFANDSGD-UHFFFAOYSA-N 426.379 4.447 5 20 IIBD Cc1cnc(O)n1-c1cccc(-c2noc(Cn3c4ccccc4c(=O)c4ccccc43)n2)c1 545659085 IJFCJVBVKWOBLH-UHFFFAOYSA-N 449.470 4.453 5 20 IIBD C[C@@H](Nc1ccc(-c2nc(Cc3nc4cccnc4[nH]3)no2)cc1[N+](=O)[O-])c1ccccn1 545719950 GJBGNNYHWZSMRK-CYBMUJFWSA-N 442.439 4.075 5 20 IIBD C[C@@H]1C[C@H](CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CN1Cc1ccccc1 547245943 GAXARQKUWRTNLW-MJGOQNOKSA-N 427.520 4.428 5 20 IIBD C[C@@]1(c2ccccc2)CN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CCO1 548699010 TXPIZCWIKUTRFI-VWLOTQADSA-N 434.442 4.347 5 20 IIBD O=C(NCCOc1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 549926299 SYDUHVBURBDGRE-UHFFFAOYSA-N 433.180 4.185 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@H]3CCO[C@@H]3c3ccncc3)cc2[N+](=O)[O-])n1 552678156 SQFAQDREUKRTID-MAUKXSAKSA-N 442.522 4.166 5 20 IIBD Cc1nc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)sc1C(F)(F)F 554583286 CLMGOCGOSDMSMD-UHFFFAOYSA-N 430.408 4.454 5 20 IIBD Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])C2)cc1 555738829 NPALPCABQVXCPQ-SFHVURJKSA-N 438.528 4.241 5 20 IIBD COc1ccc(OC[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)c([N+](=O)[O-])c1 559284699 CCWQHBJCUMHWNU-IBGZPJMESA-N 445.418 4.428 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)ccc1[N+](=O)[O-] 572522738 PEAJRUMNWSXQMI-JOCHJYFZSA-N 446.463 4.334 5 20 IIBD CCSc1cccc(Br)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC 589558192 RVJYDEQQJICTHV-UHFFFAOYSA-N 447.332 4.279 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(Cn2cccn2)c1 603571042 AXEWMWVLONUUDT-UHFFFAOYSA-N 433.390 4.299 5 20 IIBD Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)n1 603756106 BMMQEOPNROMUMD-UHFFFAOYSA-N 448.357 4.397 5 20 IIBD COc1cc(CCNC(=O)N(Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)c([N+](=O)[O-])cc1OC 603801969 IPXAIVAPWREBJX-RDTXWAMCSA-N 443.500 4.245 5 20 IIBD COc1cc(CCNc2nn3cc(-c4ccc(F)cc4)nc3s2)c([N+](=O)[O-])cc1OC 603844655 XWCBAMIAVAYIRD-UHFFFAOYSA-N 443.460 4.177 5 20 IIBD CC(C)Cc1ccc(C(=O)C2CCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 604032738 FXUDTCKVRZCXNG-UHFFFAOYSA-N 444.553 4.218 5 20 IIBD CCOc1ccc(NC(=O)CN(C)C[C@H]2CCCO[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 604521717 VUZSIFLISNUUKX-WZONZLPQSA-N 427.501 4.032 5 20 IIBD COc1cc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)ccc1[N+](=O)[O-] 608817372 COIWIRJAIKABHC-OAHLLOKOSA-N 442.859 4.327 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3ccc(-n4ccnn4)cc3)cc2[N+](=O)[O-])n1 608873650 BOLWNRGLGREJND-UHFFFAOYSA-N 438.494 4.344 5 20 IIBD CCN(C(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)[C@H](C)c1cccc(C(F)(F)F)c1 608879112 MQROOXCYNZVOMJ-UONOGXRCSA-N 437.418 4.342 5 20 IIBD O=C(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)N[C@H](c1ccccc1)c1cccc(Cl)c1 609053916 NHMQKUAMUGWLBS-JOCHJYFZSA-N 447.882 4.413 5 20 IIBD O=C(NCCCCc1nc(-c2cccnc2)cs1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 609152765 COMUJTOZLARSRZ-UHFFFAOYSA-N 448.508 4.052 5 20 IIBD Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 609202784 ZRYAFDMLTMOXHD-FQEVSTJZSA-N 435.484 4.077 5 20 IIBD COc1ccc(C(C)(C)CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 609263956 ZFKANDPSQCEWJW-ZDUSSCGKSA-N 436.892 4.127 5 20 IIBD C[C@H](NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C1CCN(C)CC1 609583418 HEVQTNCCJBVXSO-HNNXBMFYSA-N 430.936 4.320 5 20 IIBD COC(=O)c1cc(NC(=O)C2(c3ccc(Br)cc3)CCC2)cc([N+](=O)[O-])c1 609837084 BBPOUDNZXXNSHM-UHFFFAOYSA-N 433.258 4.204 5 20 IIBD C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 609837761 FQAIWINEZPGPIA-PXNSSMCTSA-N 432.480 4.137 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2SCC(F)F)c([N+](=O)[O-])c1 609911195 PMGJNNDPFSNQBT-UHFFFAOYSA-N 438.861 4.415 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 611345853 ZZCUSTTVYOYKHJ-AWEZNQCLSA-N 449.429 4.138 5 20 IIBD Cn1ccnc1[C@H](NC[C@@H](c1ccccc1Cl)N1CCCC1)c1cccc([N+](=O)[O-])c1 611560209 AEJKMXBALCJYHG-FCHUYYIVSA-N 439.947 4.498 5 20 IIBD CCOc1cc(NC(=O)N2CC[C@@H](Oc3cccc(F)c3)C2)c([N+](=O)[O-])cc1OCC 612295195 XYLGFZHYIWWLHU-MRXNPFEDSA-N 433.436 4.217 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CCC(c3nc(-c4ccccc4)no3)CC2)c1Br 612443229 LNGYCCNMEXYHTQ-UHFFFAOYSA-N 444.289 4.495 5 20 IIBD CCCN(C[C@H]1COc2ccccc2O1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 652221420 GIEVJEFTGGQCKT-IBGZPJMESA-N 442.515 4.233 5 20 IIBD O=C(COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])Nc1ccc(N2CCCCCC2)cc1 725934673 GYRPSOIATUXEEB-UHFFFAOYSA-N 433.411 4.049 5 20 IIBD CC[C@H](C)n1ncc2c(C(=O)OCc3nc(-c4cccc([N+](=O)[O-])c4)no3)cc(C)nc21 725955541 MUTOLNIOQOYYQE-ZDUSSCGKSA-N 436.428 4.026 5 20 IIBD O=C(c1ccc(OC(F)F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727328987 KZMVJEDSNQJIGF-UHFFFAOYSA-N 445.344 4.177 5 20 IIBD CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 727990855 AVQSZNVGWHKDNZ-VDTUPGDHSA-N 446.554 4.223 5 20 IIBD CC(C)COc1ccc(C(C)(C)C(=O)OCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 730874391 QHNHDSVOMDHBJI-UHFFFAOYSA-N 428.485 4.113 5 20 IIBD CN(Cc1ccc(OC(F)(F)F)cc1)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] 731920639 PKGDESIBYIJDIM-UHFFFAOYSA-N 440.346 4.126 5 20 IIBD CC1=C(C(=O)N(C)C)[C@H](c2ccc(C(C)C)c([N+](=O)[O-])c2)NC(=O)N1Cc1cccs1 732015987 IZLVROLJZKZNCT-FQEVSTJZSA-N 442.541 4.408 5 20 IIBD CCOc1c(C)cc(COC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1C 732502560 YOXPNPFJXBEQOI-INIZCTEOSA-N 432.498 4.020 5 20 IIBD Cn1cc(C(=O)Oc2cccc(NC(=O)c3ccco3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 734329261 SUDVEWLGLCFSLZ-UHFFFAOYSA-N 432.392 4.060 5 20 IIBD C[C@H](OC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)C(=O)N[C@H](C)c1cc2ccccc2o1 735353202 CRFDNCHYTBSSDW-OLZOCXBDSA-N 449.419 4.018 5 20 IIBD CCCn1c(=O)c2ccccc2n2c(SCc3cc([N+](=O)[O-])ccc3Cl)nnc12 735413886 QBVUOGAVZMXTAI-UHFFFAOYSA-N 429.889 4.308 5 20 IIBD COc1ccc(CSCC(=O)OCC(=O)c2ccc(F)c(Cl)c2)cc1[N+](=O)[O-] 736777563 PIYLAJYGKDQFOK-UHFFFAOYSA-N 427.837 4.055 5 20 IIBD O=C(Nc1ccc(F)c(Cl)c1)C1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 738243954 SDTMXCMVXMMRRH-UHFFFAOYSA-N 431.855 4.045 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)Nc1ccc(Cl)cc1 740409217 BPPOJCDRCKPMSO-VIFPVBQESA-N 427.638 4.195 5 20 IIBD CSc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 740421181 CZVAZSONXVRYGA-SNVBAGLBSA-N 439.287 4.263 5 20 IIBD CCc1c(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)nnn1-c1ccc(OC(C)C)cc1 741185217 UEDQOQMHBVEXQR-UHFFFAOYSA-N 429.864 4.431 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 743267586 VTXPNUTURQGJLM-GFCCVEGCSA-N 439.465 4.120 5 20 IIBD C[C@H](OC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1 744740377 DUVFQFFLLAXFTA-WDEREUQCSA-N 427.240 4.239 5 20 IIBD CCc1ccccc1NC(=O)[C@H](C)OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 747962906 WCZPOTJOOMDNPE-ZDUSSCGKSA-N 425.466 4.465 5 20 IIBD CC(C)(C)OC(=O)NCCCOC1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 748834759 HTUFODXCQQBABD-UHFFFAOYSA-N 427.929 4.144 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1C[C@H]1c1ccc(Br)cc1 748903294 NFROXZUKOYCBLY-HOTGVXAUSA-N 444.241 4.254 5 20 IIBD O=C(COC(=O)c1ccnc(Oc2ccccc2)c1)Nc1cc(Cl)ccc1[N+](=O)[O-] 749292350 OOFWTWMKVZCZAW-UHFFFAOYSA-N 427.800 4.231 5 20 IIBD Cn1cnnc1-c1cccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)c1 749422015 MFPKSYBSDKOVLA-UHFFFAOYSA-N 436.653 4.059 5 20 IIBD O=C(Nc1cccc2c1CCCN2C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 750095893 MBKOPFPZZSPJPG-HSZRJFAPSA-N 435.455 4.472 5 20 IIBD Cc1noc(C)c1[C@@H](C)CC(=O)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 753964381 ODQPIYPHJHIUMU-HNAYVOBHSA-N 443.500 4.321 5 20 IIBD O=C(N[C@@H](CCO)C1CC1)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 757086443 XPPHQZXYOAKINC-AWEZNQCLSA-N 429.523 4.247 5 20 IIBD C[C@@H]1C[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2Br)CCN1Cc1ccccc1 758417452 BBKJMONNKJVZPF-NVXWUHKLSA-N 446.345 4.482 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCCCC2)cc1 762435618 DPOGPPMAVPPLBX-UHFFFAOYSA-N 443.525 4.493 5 20 IIBD C[C@]1(c2noc(Cc3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)n2)CCCO1 763333152 MPFJYFYCEZUYLJ-HSZRJFAPSA-N 431.452 4.447 5 20 IIBD Cc1c(NC(=O)[C@H](C)Sc2nccn2-c2ccc(N(C)C)cc2)cccc1[N+](=O)[O-] 765625963 UJDXEOCTJSGDQQ-HNNXBMFYSA-N 425.514 4.274 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)NC1(c2c(Cl)cccc2Cl)CC1 765842587 AHUQRGFGKUJWKT-UHFFFAOYSA-N 428.659 4.299 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)Nc1ccccc1C(F)(F)F 766219728 HVNLMYSLIPMUNS-NSHDSACASA-N 433.342 4.346 5 20 IIBD C[C@H](C(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccc(Br)cc1 766629560 LGIRVUUHQKVZEG-AWEZNQCLSA-N 448.317 4.316 5 20 IIBD COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 768834707 KFMHLMSXVIEGQN-UHFFFAOYSA-N 448.522 4.065 5 20 IIBD C[C@H](OC(=O)[C@H](C)OCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 769193645 HQJYTIIFENQFFJ-STQMWFEESA-N 440.374 4.089 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)O)c(C(F)(F)F)c1 769631043 ROGDIGBESAMDLZ-UHFFFAOYSA-N 438.767 4.074 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c(O)c1 770074331 WMCQGWRLIJGZOU-UHFFFAOYSA-N 427.457 4.452 5 20 IIBD CC(C)N(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccc(N2CCOCC2)cc1 770529936 HXRHYYBHQYCCLW-UHFFFAOYSA-N 448.317 4.249 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3COC4(CCCC4)O3)o2)c(Br)c1 773418614 UHWWXEGWTSHIDB-OAHLLOKOSA-N 437.290 4.393 5 20 IIBD CC(C)S(=O)(=O)c1ccc(C(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])cc1 776131065 BYIMPELJBLHQGW-OAQYLSRUSA-N 440.477 4.118 5 20 IIBD O=C(Cc1csc(-c2ccccn2)n1)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776140317 WOILYEXPNCIOIZ-OAQYLSRUSA-N 432.461 4.384 5 20 IIBD COc1ccc(-n2c(SC[C@H](O)c3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)cc1 776271687 NEMQRHKPVUNMEP-NRFANRHFSA-N 449.488 4.128 5 20 IIBD O=C(O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)c1csc(-c2ccc(F)c(F)c2)n1 778782996 JFBFSSBLZNPVLT-HNNXBMFYSA-N 431.420 4.432 5 20 IIBD COc1cc(COC(=O)c2cc(F)c(F)c(F)c2F)c([N+](=O)[O-])cc1OCC(F)F 780058411 FLCNJTSBMTTWQZ-UHFFFAOYSA-N 439.264 4.161 5 20 IIBD Cc1cnn(CCCCCOC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 781258102 OEDOZOZWPKYUJU-UHFFFAOYSA-N 425.435 4.492 5 20 IIBD COc1ccc(F)cc1-c1csc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 781616673 CTSDWAFHWCYTON-UHFFFAOYSA-N 446.416 4.346 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCCCC[C@H]1C[C@@H](O)c1ccccc1 782014351 WZBWQWBLFABDKC-SIKLNZKXSA-N 441.484 4.331 5 20 IIBD Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 782853848 MJQVGEDBQGSGPN-UHFFFAOYSA-N 444.473 4.349 5 20 IIBD CCC1(COC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CCN(Cc2ccccc2)CC1 783471778 OZSGMUBVXKJTDK-UHFFFAOYSA-N 428.533 4.034 5 20 IIBD CN(C)c1ccc(COC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1[N+](=O)[O-] 784502358 VBGPUMXKGVRRIN-UHFFFAOYSA-N 428.426 4.050 5 20 IIBD C[C@@H]1[C@@H](C(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C 786458527 AZBVBFVKMGOAMB-SYNHAJSKSA-N 441.484 4.268 5 20 IIBD C[C@@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 786931733 QFAAGOVGZKYNQR-GUYCJALGSA-N 447.454 4.118 5 20 IIBD CSc1ccc(C(=O)N2CCC(CNC(=O)OCc3ccccc3)CC2)cc1[N+](=O)[O-] 787789580 HFQRXQSMHAPONS-UHFFFAOYSA-N 443.525 4.095 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(OC(F)(F)F)c(Br)c2)cs1 794593922 FYXQAIPEWGTGDL-UHFFFAOYSA-N 447.210 4.118 5 20 IIBD Cc1ccccc1NC(=O)Cc1noc(-c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)n1 795697007 MGNDJHZLZMCRQV-UHFFFAOYSA-N 435.484 4.371 5 20 IIBD COc1cc([N+](=O)[O-])ccc1COC(=O)Cc1csc(COc2ccc(C)cc2)n1 797471576 MQCRDFSOLZNSHI-UHFFFAOYSA-N 428.466 4.233 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 800051903 VSVYETLFJPYLAP-UHFFFAOYSA-N 447.419 4.235 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H](CCc1ccccc1)c1ccccc1 800599600 UDICFCQENPRKMY-FQEVSTJZSA-N 435.455 4.471 5 20 IIBD O=[N+]([O-])c1ccc(NC(=S)N2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)cc1 809160455 PYYUWHSLCNMIIG-MRXNPFEDSA-N 427.404 4.264 5 20 IIBD Cc1ccc(OCc2nc(COC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)cs2)cc1 811595712 UXAXMWQCHICPBR-UHFFFAOYSA-N 428.422 4.024 5 20 IIBD Cc1cc(Cl)c(C(=O)OCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1[N+](=O)[O-] 815406689 RHGGHDGHASDEHG-UHFFFAOYSA-N 442.859 4.155 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccc(N2CCCOC2=O)cc1 817315012 YIXAGDMWTIZAFG-MRXNPFEDSA-N 438.484 4.033 5 20 IIBD C[C@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1ccc(Cl)cc1 822598636 OKDRNNPPMNIBIT-GJZGRUSLSA-N 445.903 4.271 5 20 IIBD C[C@@H](OC(=O)CSc1ccccc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 848703721 PHSKSEDCYFUBTD-CYBMUJFWSA-N 443.506 4.381 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N(C)C2CCCCC2)cc1 867674449 SVLPHZGXKLNRAX-UHFFFAOYSA-N 432.498 4.076 5 20 IIBD Cc1cc(C)c(OC(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)c([N+](=O)[O-])c1 915826847 GAFFNNFEZRUBJP-HNNXBMFYSA-N 436.386 4.185 5 20 IIBD NC(=O)c1ccc(SCC(=O)Nc2ccccc2NC2CCCCC2)c([N+](=O)[O-])c1 916565190 GEZOLXUACHESHH-UHFFFAOYSA-N 428.514 4.169 5 20 IIBD CCCCN1C(=O)CC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]1c1ccc(OC)cc1 916757047 ODNRSRJMVUQNBT-AVRDEDQJSA-N 443.475 4.461 5 20 IIBD C[C@@H](NC(=O)c1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1F)c1ccccc1 917402977 MUIUDDGMHQNRPZ-OAHLLOKOSA-N 437.427 4.242 5 20 IIBD O=C(NS(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)c1sc2cccc(Cl)c2c1Cl 917453414 ZASMUCOINPSGKJ-UHFFFAOYSA-N 449.268 4.374 5 20 IIBD Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C 917742011 NIQCJRCFKWJCMF-HOTGVXAUSA-N 438.528 4.340 5 20 IIBD O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 917778307 LSQWGZQVPOXFJS-UHFFFAOYSA-N 436.512 4.464 5 20 IIBD COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 918096776 BPTJRGSFGBBFAY-KRWDZBQOSA-N 446.257 4.075 5 20 IIBD COc1ccc2oc(C)c(C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c2c1 919414370 CWGYQHCPCLFTSY-LLVKDONJSA-N 432.816 4.495 5 20 IIBD CC(C)(C)OC(=O)Nc1cc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)ccc1F 1317919734 IZXPZQPMJSIBAU-UHFFFAOYSA-N 429.408 4.069 5 20 IIBD C[C@H](COc1ccccc1F)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 1320341414 UOHFZWHGYUMLEC-SECBINFHSA-N 431.645 4.347 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(-c3ccc(S(=O)(=O)Nc4ccccc4F)cc3)o2)c1 1322018156 FVTBMTUAEXSLLF-UHFFFAOYSA-N 440.412 4.252 5 20 IIBD COc1ccc(Br)c(-c2nnc(-c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)o2)c1 1322401342 RUIIXBHBNZMIRQ-UHFFFAOYSA-N 442.229 4.269 5 20 IIBD CN(C)S(=O)(=O)c1cccc(-c2nnc(-c3cc4ccccc4c4cccnc34)o2)c1 1345596850 SWEHUUCJPKQKHA-UHFFFAOYSA-N 430.489 4.355 5 20 IIBD COc1ccc(NC(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c([N+](=O)[O-])c1 1526688490 YSQGMTAEYPBUNY-UHFFFAOYSA-N 438.415 4.317 5 20 IIBD CN(C)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])o4)CCC3)cc2)c1 1790267395 SVUCXPSDWYTXFC-UHFFFAOYSA-N 448.479 4.315 5 20 IIBD C[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1804344560 GUYVKWFYIKTRFR-IDDJUORISA-N 425.529 4.073 5 20 IIBD C[C@@H]1C[C@@]1(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1824841772 NWYPBTUEGLTDRD-WSUBETFTSA-N 441.572 4.193 5 20 IIBD CCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 1831293486 DZGGFWQXCDCCFX-NRFANRHFSA-N 447.551 4.332 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1 9904794 BLZFTSOASXUJMJ-UHFFFAOYSA-N 443.506 4.370 5 20 IIBD O=C(CSc1nc(C2CC2)nn1-c1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] 10080759 QUWYAWZKUZRJMD-UHFFFAOYSA-N 429.889 4.437 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1c(-c2c(F)cccc2Cl)noc1C 11444396 FPWLPNHHSHOFKV-UHFFFAOYSA-N 447.806 4.455 5 20 IIBD C[C@H](OC(=O)CCCc1ccc(Br)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1 16257282 KTDZWKZGKYQGIM-NSHDSACASA-N 441.303 4.312 5 20 IIBD CCCCCCn1c(SCc2ccc(C(N)=O)cc2[N+](=O)[O-])nc2ccccc2c1=O 16767564 JOJIKOFZKCZGHN-UHFFFAOYSA-N 440.525 4.276 5 20 IIBD O=C(OCc1nc(-c2cccc(Br)c2)no1)c1ccc([N+](=O)[O-])cc1Cl 18219587 ANKDOTQUCFBDRJ-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD CCN(CC)CCN(C(=O)c1csc([N+](=O)[O-])c1)c1cccc(Br)c1 60548183 XLPFJRMKMMLMHS-UHFFFAOYSA-N 426.336 4.407 5 20 IIBD CCc1cc(N(CC)CC(=O)Nc2c(F)cccc2F)nc(-c2ccc([N+](=O)[O-])cc2)n1 64904702 NGFPQQKVIKLUJU-UHFFFAOYSA-N 441.438 4.357 5 20 IIBD COc1cc(C(=O)NCC(C)(C)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC 72088980 WXWJBULVCFKKBL-UHFFFAOYSA-N 426.391 4.338 5 20 IIBD CCc1ccc(-c2csc(NC(=O)COC(=O)Cc3ccccc3[N+](=O)[O-])n2)cc1 106845604 IHFGFNJTFGUFEE-UHFFFAOYSA-N 425.466 4.005 5 20 IIBD NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)c3cc4ccccc4c4cccnc34)cc2)C1 110905603 MWUHYFBETIVLKM-HXUWFJFHSA-N 438.531 4.338 5 20 IIBD Cc1ccc(CNC(=O)C2CCN(c3cc(C)nc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)cc1 301483299 UMACYSAYBBDFAT-UHFFFAOYSA-N 445.523 4.201 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@H]2CCOC(C)(C)C2)c([N+](=O)[O-])c1 301838913 ZHRBDZMGXYSTEQ-INIZCTEOSA-N 433.530 4.180 5 20 IIBD CCN(C(=O)c1ccc([N+](=O)[O-])cc1I)[C@@H](C)Cc1ccsc1 426298087 HVLYFPCPHKLBBI-NSHDSACASA-N 444.294 4.354 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CCC[C@H](Nc4ccccc4)C3)cc2)c(C)c1[N+](=O)[O-] 426684643 ALEGNDWLMPGYHK-QFIPXVFZSA-N 433.512 4.173 5 20 IIBD O=C(O)[C@H](Cc1ccccc1)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 426691672 KFUVDKQVDJMWAI-SFHVURJKSA-N 445.269 4.403 5 20 IIBD CCCc1c(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cnn1-c1ccc(F)cc1 429348501 WVFJCNIYPVKZMN-UHFFFAOYSA-N 434.431 4.310 5 20 IIBD Cc1c(NC(=O)C(=O)NCc2cccc(C(C)C)c2)cc(Br)cc1[N+](=O)[O-] 430359460 ZZANEZBYRMBCFZ-UHFFFAOYSA-N 434.290 4.044 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC(N2CCc3ccccc3C2)CC1 433000680 XJNGVGTVWGAKKS-UHFFFAOYSA-N 444.329 4.020 5 20 IIBD CCCS(=O)(=O)Nc1cccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1C 437794867 DWNOYEKNYATGCR-UHFFFAOYSA-N 446.529 4.251 5 20 IIBD Cc1cc(C)c(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1Br 438666050 SFIRQFQOFSVSIH-UHFFFAOYSA-N 448.317 4.350 5 20 IIBD C[C@@H](O)CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](C)Cc1ccc(Cl)cc1 441241602 DKZNLYFOWDOFHT-HUUCEWRRSA-N 430.892 4.112 5 20 IIBD CCCN(C(=O)Cc1csc(NC(=O)c2ccoc2C)n1)c1cccc([N+](=O)[O-])c1 441470831 VGOKGGVCOCWELZ-UHFFFAOYSA-N 428.470 4.191 5 20 IIBD CC(=O)N(Cc1ccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1)C1CC1 444031557 AAEFTULLQDQTIB-UHFFFAOYSA-N 425.488 4.445 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(/C=C\c3cccc(OC)c3OC(F)F)n2)c1 445583597 OAXZCCUXANLTNA-TWGQIWQCSA-N 433.367 4.358 5 20 IIBD Cc1nnc2ccc(-c3noc(-c4ccc(N5C[C@@H](C)C[C@H](C)C5)c([N+](=O)[O-])c4)n3)cn12 445640387 RUJQDXKBLDOEFY-KBPBESRZSA-N 433.472 4.145 5 20 IIBD COCC1(C)CN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C1 447884192 YSYVHVKRXRINIA-UHFFFAOYSA-N 429.523 4.464 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(CCn3nnc4ccccc43)no2)ccc1Nc1ccccc1 460743258 SWYCFODAIPXNCI-UHFFFAOYSA-N 427.424 4.376 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ncc(I)cc1C 462629856 GLAUKWKCTPGHGC-CYBMUJFWSA-N 439.253 4.110 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1ncc(Br)cc1Br 466273850 SQDDSHGOORDTRK-UHFFFAOYSA-N 449.486 4.098 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2cccs2)n1CC 466510761 VEZBFINYXAYOHU-UHFFFAOYSA-N 433.515 4.064 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@](C)(OC)C1(C)C 467019683 BRMIJEXAMOETOD-CTNGQTDRSA-N 449.529 4.020 5 20 IIBD Cc1ccccc1-n1nc(C)c(CN(C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1C 467192192 SOGQGAATCJNNKN-IBGZPJMESA-N 435.528 4.473 5 20 IIBD CCC[C@@H]1CCCN(C(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 467722482 AKEIRZLZRFFLST-MRXNPFEDSA-N 431.514 4.048 5 20 IIBD C[C@@H](NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 467869218 WCGRNAJFFGDFHL-OAHLLOKOSA-N 427.482 4.036 5 20 IIBD C[C@@H](CC[S@@](C)=O)NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 469330716 JXPLAPLYLLFKRX-BIXPNRAVSA-N 426.947 4.286 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N[C@@H]1CCCC[C@H]1n1cccn1 470874538 RWDQTZYAMDFHIV-UYAOXDASSA-N 441.513 4.188 5 20 IIBD O=C(NCc1ccc(-c2ccc(Cl)cc2)cc1F)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 472625442 YHFUOZHCMURMOI-UHFFFAOYSA-N 445.809 4.448 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)N3CCN(c4nc5ccccc5cc4[N+](=O)[O-])CC3)n2)cc1 473522970 QREQVNFIFFEXPO-QGZVFWFLSA-N 444.495 4.385 5 20 IIBD COc1ccc([C@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)c2c[nH]c3ccccc23)cc1 475498321 XAIYKPATZMJCHO-NRFANRHFSA-N 431.448 4.352 5 20 IIBD CCOc1cc(N2CCN(Cc3ccccc3OCc3cccnc3)CC2)ccc1[N+](=O)[O-] 475514911 VIDZVFSJRXXVPK-UHFFFAOYSA-N 448.523 4.290 5 20 IIBD Cn1cc(C(=O)N2CCOc3ccc(C(F)(F)F)cc32)c(-c2ccc([N+](=O)[O-])cc2)n1 475895383 CDELTKVMJHSBLV-UHFFFAOYSA-N 432.358 4.053 5 20 IIBD Cc1ccc(-c2csc3nc(SCc4c([N+](=O)[O-])ncn4C)n(C)c(=O)c23)cc1C 476492691 VJSARNZJIWIJRU-UHFFFAOYSA-N 441.538 4.213 5 20 IIBD C[C@@H](c1cccc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1)N1CCOCC1 477476644 CEHLSOJHKCLVJF-HNNXBMFYSA-N 432.908 4.006 5 20 IIBD CO[C@]1(C)CCCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 477879475 PHKNTBMLNJHKSN-RUZDIDTESA-N 448.523 4.408 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1 481860307 HQXNQQPFOKJXFO-UHFFFAOYSA-N 449.272 4.360 5 20 IIBD O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(-c2cccc(Br)c2)cn1 481877554 XUIQBOQUPWHNLA-UHFFFAOYSA-N 434.271 4.220 5 20 IIBD O=C(NC1CCN(C2CC2)CC1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 481970616 YHJPUFJQZXBEFB-UHFFFAOYSA-N 428.920 4.217 5 20 IIBD O=C(Nc1ccccc1C(=O)N1CCOC2(CCCC2)C1)c1ccc([N+](=O)[O-])cc1Cl 483313418 WWAXESALKGWNTR-UHFFFAOYSA-N 443.887 4.286 5 20 IIBD Cc1ccc(-n2ncc(NC(=O)C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)c2C(C)C)cc1 483869867 JHOIBDUXVRBRRF-QGZVFWFLSA-N 449.511 4.337 5 20 IIBD C[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)Oc1ccccc1Br 484821705 ORDRPXLXPBACPT-CQSZACIVSA-N 448.317 4.473 5 20 IIBD COc1ccccc1CNC(=O)[C@@H](C)Sc1ccc(Br)cc1[N+](=O)[O-] 485276845 UQYXFJBJMBFGHW-LLVKDONJSA-N 425.304 4.163 5 20 IIBD COc1c(Cl)cc(NC(=O)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl 493901193 ROYCGDQOOULWBE-JTQLQIEISA-N 426.256 4.035 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)Nc1ccn(-c2ncccc2C(F)(F)F)n1 495216278 WOWDUGMBRDSNJL-UHFFFAOYSA-N 448.405 4.339 5 20 IIBD O=C(Nc1n[nH]c(C(F)(F)F)n1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 497495092 DTMOQHYCJSHGGV-UHFFFAOYSA-N 440.769 4.250 5 20 IIBD CCOC(=O)C(C)(C)c1csc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1 497634334 YLXMENAPURBFQM-UHFFFAOYSA-N 432.502 4.089 5 20 IIBD O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)[C@H](c1ccccc1)C1CC1 499131699 RONIDPNQCRPZLX-GOSISDBHSA-N 443.506 4.016 5 20 IIBD CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 502478490 MXDHVMRPHSUJNR-MZNJEOGPSA-N 433.508 4.309 5 20 IIBD CCOc1ccc(C(=O)N[C@@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C(C)C)cc1 503952717 ZAWVYUZOOQVXRY-JOCHJYFZSA-N 441.528 4.185 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 504064788 ZKLNJMSMOKEVER-OAQYLSRUSA-N 439.903 4.338 5 20 IIBD CCOc1cc(NC(=O)c2nnn(-c3ccccc3Cl)c2C)c([N+](=O)[O-])cc1OCC 504359986 PQAAJWRZSHEMQX-UHFFFAOYSA-N 445.863 4.187 5 20 IIBD Cc1cc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cnc1N1CCCC[C@@H]1C 504844967 CGIJZNGLILOTJK-INIZCTEOSA-N 434.500 4.330 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCC[C@@H](c2ncc3n2CCCC3)C1 505141065 UWZKAIRPUMIKRK-MRXNPFEDSA-N 444.510 4.373 5 20 IIBD CN(Cc1ccccc1Br)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 505992940 SPJHOSPBZMOZSZ-UHFFFAOYSA-N 429.274 4.030 5 20 IIBD C[C@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccc(Oc2ccccc2)cc1 506288988 HZEBOZULGCJFQX-INIZCTEOSA-N 429.436 4.459 5 20 IIBD CN(Cc1ccccc1-c1ccccc1)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 506543892 YFZQDJGGMGYQFM-UHFFFAOYSA-N 435.505 4.111 5 20 IIBD Cc1c(NC(=O)C(=O)N2CCC(C)(c3nc4ccccc4s3)CC2)cccc1[N+](=O)[O-] 506548064 MKTJBPONBHLVAC-UHFFFAOYSA-N 438.509 4.032 5 20 IIBD CCc1c(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)cnn1-c1cccc(C(F)(F)F)c1 508456161 LEVNATNGTZWLJX-UHFFFAOYSA-N 444.373 4.490 5 20 IIBD C[C@@H](c1ccco1)N(C(=O)c1ccc([N+](=O)[O-])cc1I)C1CC1 508567182 IBKCGASJTYAMNO-JTQLQIEISA-N 426.210 4.158 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](c1ccccc1F)c1nccn1C 509391892 FUYYVBKNFJOABK-HXUWFJFHSA-N 425.464 4.177 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)c1ccncc1F 509455522 QUQVIGCCZCOQCL-CYBMUJFWSA-N 446.460 4.111 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2C)c([N+](=O)[O-])c1 509581591 CVKMLDKYXMQTCP-MRXNPFEDSA-N 431.514 4.027 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2C)c([N+](=O)[O-])c1 509613706 OFJGVSZZYFYVID-UHFFFAOYSA-N 431.514 4.075 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)cc1[N+](=O)[O-] 509834708 KLYLBSMSTGDLHW-UHFFFAOYSA-N 434.290 4.446 5 20 IIBD COc1cc(C(=O)N[C@@H]2CCc3n[nH]cc3C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 510989926 DMFGBBPXKRGZGL-OAHLLOKOSA-N 442.859 4.060 5 20 IIBD O=C(N[C@H](C[C@H]1CCOC1)c1ccccc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 511398320 MILAROPYAFQHTC-WZONZLPQSA-N 439.512 4.316 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)NC2(c3c(Cl)cccc3Cl)CCC2)cc1[N+](=O)[O-] 513785138 GSVYZIKHJVCAMY-UHFFFAOYSA-N 443.308 4.114 5 20 IIBD C[C@@H]1CCCN(Cc2ccc(CN[C@H](c3ccc([N+](=O)[O-])cc3)c3nccn3C)cc2)C1 514089134 OSVGBUYKACLVAD-NTKDMRAZSA-N 433.556 4.439 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CSc2nnc3cc(C)nc(C)n23)cc1OC 514103956 HJVQGIKPCOWYLG-LBPRGKRZSA-N 431.518 4.375 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cc(-c2nnc3n2CCCCC3)ccc1Cl 514922554 WEFUFFVBPKUASC-UHFFFAOYSA-N 425.876 4.414 5 20 IIBD CCc1nc(CN(C)C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cs1 516801486 IXLGNFZQZMYIHZ-CQSZACIVSA-N 425.514 4.454 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N[C@H](Cc1ccccc1)c1ccccc1 518131106 GLJABQNBRZLMJQ-LJQANCHMSA-N 437.883 4.078 5 20 IIBD O=C(Nc1ccc(F)cc1)[C@@H]1CCc2ccccc2N1C(=O)c1cc(F)cc([N+](=O)[O-])c1 518282677 JUIWBUZIYGTLER-NRFANRHFSA-N 437.402 4.473 5 20 IIBD Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 520012404 MLQXHLQZXOTPHO-UHFFFAOYSA-N 447.495 4.404 5 20 IIBD O=C1C[C@@H](c2ccccc2)N(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CCN1 521062724 ZXBBLWPDFXFSMC-NRFANRHFSA-N 430.464 4.042 5 20 IIBD CC(C)CCc1ccc(NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1 521701444 ATANPDUUCFTSRS-UHFFFAOYSA-N 430.530 4.235 5 20 IIBD O=C(Cc1ccccc1)Nc1cc(N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)ccc1F 521839327 UFPJJASOWGKKLD-NRFANRHFSA-N 448.454 4.133 5 20 IIBD CSc1ccc(C(=O)N2CCCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] 522593615 AKHMNUFCYGGYDY-UHFFFAOYSA-N 448.932 4.350 5 20 IIBD COc1cc(C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)c([N+](=O)[O-])cc1OC 522709867 PKXQUHWNZIMELQ-UHFFFAOYSA-N 442.472 4.272 5 20 IIBD O=C(Nc1ccc(-c2nc[nH]n2)cc1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 522874758 BEUHAPBVDADPQE-UHFFFAOYSA-N 444.238 4.125 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@H](C)c2cccc(OC(C)C)c2)ccc1[N+](=O)[O-] 523284602 VDEVUPXBUADORY-VGOFRKELSA-N 439.512 4.172 5 20 IIBD COc1cc(C(=O)N2CCC[C@H]2c2cccc(Br)c2)cc([N+](=O)[O-])c1OC 525578754 GKFXFLLPFGGPNF-HNNXBMFYSA-N 435.274 4.352 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N2CCC[C@H](c3nc4ccccc4s3)C2)c([N+](=O)[O-])c1 532625635 DPTMBVVVJOAAGK-GJZGRUSLSA-N 440.525 4.420 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCSc1nnc(C)n1[C@@H]1CCC[C@@H](C)C1 534606329 PAGIQSNJAWXOIN-UKRRQHHQSA-N 433.534 4.375 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)NCc1ccc(Cn2cnc3ccccc32)cc1 534610896 RHCAQHZLPJICAB-UHFFFAOYSA-N 429.480 4.035 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCOc1cccc(C(F)(F)F)n1 534726270 CAIPAYMARYWXBM-UHFFFAOYSA-N 426.395 4.008 5 20 IIBD Cc1ccc2nc([C@@H]3CCCN(C(=O)COc4ccc([N+](=O)[O-])c5cccnc45)C3)[nH]c2c1 534937862 BTMVBVVMHOQUHJ-MRXNPFEDSA-N 445.479 4.113 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(CN3CCSCC3)cc2C)c1 537313235 ATNMUULAXACKGF-UHFFFAOYSA-N 429.542 4.168 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 539347853 CYVVMVMLEKGQHH-MRXNPFEDSA-N 443.573 4.433 5 20 IIBD Cc1ocnc1CNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 540414021 RVJWIXKWULJZOJ-UHFFFAOYSA-N 434.811 4.475 5 20 IIBD COC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)nc1C1CCCC1 541649446 AAISYBMPFLPLHM-UHFFFAOYSA-N 426.454 4.296 5 20 IIBD O=C(c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)N1C[C@H]2[C@@H](O)CC[C@H]2C1 543354276 DYCVTSSDQVKJLU-VBQJREDUSA-N 441.534 4.199 5 20 IIBD Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NCCn1cc([N+](=O)[O-])cn1 543503207 GBCRRTOSGJOMGO-NSHDSACASA-N 436.335 4.337 5 20 IIBD O=C(NCCC[C@@H]1CCCCO1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 544827335 ZJQMSVCCVGIULA-ZDUSSCGKSA-N 427.288 4.166 5 20 IIBD CCCS(=O)(=O)c1ccccc1S[C@H](C)c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 546486403 LQDPNIBFBCOFNR-CYBMUJFWSA-N 448.526 4.001 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccn(-c2cccc(Br)c2)n1 546665099 KPAANWTYWDEHJR-UHFFFAOYSA-N 431.246 4.194 5 20 IIBD COc1ccc(-c2ccc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)nc2)cc1Cl 548744791 VFPJBEITPRNKEB-UHFFFAOYSA-N 427.800 4.300 5 20 IIBD CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 549069929 JGVGGVOQVIDQNB-UHFFFAOYSA-N 443.511 4.056 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCOC1 549599656 XBJFXXOQTXHIHX-HNNXBMFYSA-N 427.892 4.180 5 20 IIBD Cc1onc(-c2cccnc2)c1-c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 564609622 JWRZQFCWLPGBFD-UHFFFAOYSA-N 442.229 4.357 5 20 IIBD C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1)c1cccc([N+](=O)[O-])c1 564715314 DCNWIMXJSGXUAR-INIZCTEOSA-N 445.541 4.290 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(C(=O)OC)c(Br)cc1C 571800963 FGHDIUDQJGYFNP-UHFFFAOYSA-N 437.246 4.103 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCOC[C@H]3[C@@H]3CCCO3)cc2[N+](=O)[O-])cc1 574540996 IWIMLTPOSAUUQO-PMACEKPBSA-N 428.510 4.074 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1-c1nc(-c2ccc3nc[nH]c3c2)no1 583314743 RHMAQKJUIBQPJR-UHFFFAOYSA-N 447.192 4.101 5 20 IIBD COc1ccc([C@@H]2CCCN2c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])cc1 603473111 QKKGAORJTCCFRK-FQEVSTJZSA-N 445.541 4.120 5 20 IIBD COC(=O)c1cc(C(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)cc([N+](=O)[O-])c1 603774333 KPJRISHTEKEAAA-UHFFFAOYSA-N 433.420 4.194 5 20 IIBD COc1ccc([N+](=O)[O-])cc1OCC(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 603898018 KCRIMARXJUBQIK-HXUWFJFHSA-N 445.475 4.412 5 20 IIBD CCOc1ccc(NC(=O)CN[C@H](c2ccccc2)c2ccc(OC)cc2)c([N+](=O)[O-])c1 603901171 AHJQACINRBJKJZ-XMMPIXPASA-N 435.480 4.320 5 20 IIBD O=C(NCCc1ccccc1)c1ccccc1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 604004147 MHRDECJUIZDFHL-UHFFFAOYSA-N 443.463 4.229 5 20 IIBD C[C@H](NC(=O)NCc1ccc(N2CCc3ccccc3C2)nc1)c1cccc([N+](=O)[O-])c1 604130472 JSFOXBQZUVIKDJ-KRWDZBQOSA-N 431.496 4.113 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(N2CCc3ccccc3C2)CC1 604482457 JZDPBZISYLKJMW-KRWDZBQOSA-N 425.554 4.125 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2nc(-c3cccs3)cs2)ccc1[N+](=O)[O-] 608802789 STSOIKVLYVCOCP-MRXNPFEDSA-N 442.522 4.332 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CCc1ccccn1)Cc1ccc(F)cc1 608887391 XUTQGWWWFQCHLG-UHFFFAOYSA-N 443.500 4.125 5 20 IIBD Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 609059534 JBZKNLPOJJHLBB-HXUWFJFHSA-N 442.479 4.463 5 20 IIBD O=C(c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)N1CCc2c1cccc2[N+](=O)[O-] 609971731 NWVHBVZMKUGUEH-UHFFFAOYSA-N 447.834 4.252 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1Oc1ccccc1 610103690 WKQVXQHCLXEHDU-UHFFFAOYSA-N 433.464 4.465 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N2C[C@@H](C(F)(F)F)CC[C@H]2C)cc1[N+](=O)[O-] 611542327 IDOYDBUGQSSNOX-SCZZXKLOSA-N 445.257 4.017 5 20 IIBD C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1cc(I)cc([N+](=O)[O-])c1 611549209 OOEHZNOQVUILRK-WCBMZHEXSA-N 442.175 4.002 5 20 IIBD O=C(N[C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)c1ccc([N+](=O)[O-])c2cccnc12 612132376 LRNDBLZXRBCPPA-BVYCBKJFSA-N 430.508 4.174 5 20 IIBD CCOc1ccc(-c2nc(COC(=O)CCn3nc(C)c([N+](=O)[O-])c3C)cs2)cc1 726503864 YCNJRQBTKMVMEZ-UHFFFAOYSA-N 430.486 4.064 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1cccc(C(=O)OCc2ccccc2)c1 727603850 HJNFIDMNGOYQFH-UHFFFAOYSA-N 433.464 4.293 5 20 IIBD Nc1cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1Oc1ccccc1 728636550 YRAWMCOOMWLMQM-UHFFFAOYSA-N 441.827 4.418 5 20 IIBD COc1ccccc1C/C(C)=C/C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 730346468 UOZPAGWYSSIKMD-YPDDLIOESA-N 432.860 4.316 5 20 IIBD O=C(CCc1nc2cc(Cl)ccc2s1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 730607058 SYULJJRWJUPUMG-UHFFFAOYSA-N 434.857 4.400 5 20 IIBD COc1cc(C(=O)OCc2csc(-c3ccoc3)n2)c([N+](=O)[O-])cc1OC(F)F 731065549 AMKXXIVJABMVJG-UHFFFAOYSA-N 426.353 4.278 5 20 IIBD CCN1C(=S)N[C@H](c2csc(C3CC3)n2)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)=C1C 731423145 ZXRZFYWPXITUTN-QGZVFWFLSA-N 443.554 4.093 5 20 IIBD CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(C)c([N+](=O)[O-])c2)NC(=O)N1Cc1cccs1 732038760 PDVMEKBDDAOICR-LJQANCHMSA-N 429.498 4.457 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)CC2(O)CCCCC2)c2ccccc2)c([N+](=O)[O-])c1 734195722 AMPPUQLKBZNXHD-OAQYLSRUSA-N 426.469 4.212 5 20 IIBD COc1ccc(C2=N/C(=C\c3ccc(-c4c(F)cccc4F)o3)C(=O)O2)cc1[N+](=O)[O-] 734386435 SLAJDFFTAVFKOY-GDNBJRDFSA-N 426.331 4.486 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)NC1CCN(C[C@@H]2CCCO2)CC1 735368071 IWIHFSBIDSMOCA-QFIPXVFZSA-N 440.500 4.152 5 20 IIBD Cc1ccccc1[C@@H]1C[C@H](C)N(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)C1 737414493 JVULVSWCZDGWBP-ZWKOTPCHSA-N 429.542 4.070 5 20 IIBD COc1cc(N2CCC(OC(=O)CCC(=O)c3ccc(F)cc3F)CC2)ccc1[N+](=O)[O-] 739384714 LCEXBEHYYSVSRS-UHFFFAOYSA-N 448.422 4.057 5 20 IIBD COc1cc(N2CCC(OC(=O)Cc3ccccc3OC(C)C)CC2)ccc1[N+](=O)[O-] 739386368 UGPCTVRKHLLLPD-UHFFFAOYSA-N 428.485 4.145 5 20 IIBD CN(Cc1ccco1)Cc1ccccc1CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 742410785 ARDMVANVWNQYIP-UHFFFAOYSA-N 434.496 4.324 5 20 IIBD O=C(COC(=O)Cc1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCc3ccccc32)cc1 745335908 DUHKTJPLOMRVSW-UHFFFAOYSA-N 431.448 4.013 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 747225767 IJXGAPZESYGYKI-XMMPIXPASA-N 436.512 4.044 5 20 IIBD CCN(C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)c1ccc2ccccc2c1 747664199 UQPGRUHOGCIWBZ-UHFFFAOYSA-N 428.448 4.269 5 20 IIBD O=C(NC1CC1)c1ccc(CN(Cc2ccco2)C(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 751076883 LIIGGHGVFYGDQU-UHFFFAOYSA-N 437.427 4.062 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 751360582 MOFGLVFDJKAJDK-GOSISDBHSA-N 445.324 4.036 5 20 IIBD CCc1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cnn1-c1ccccc1Cl 752929777 UMIGSWGMVCDVFR-UHFFFAOYSA-N 429.820 4.465 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2ccccc2-c2nncn2C(C)C)cc1[N+](=O)[O-] 753155742 QXNDSWCGOQAVOM-UHFFFAOYSA-N 435.893 4.197 5 20 IIBD C[C@H](C(=O)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc2ccccc2c1 753398838 UDIZDKZTEJGNGL-AWEZNQCLSA-N 426.856 4.478 5 20 IIBD CC(C)([C@H](OC(=O)c1ccc2nc(O)oc2c1)c1ccc(Br)cc1)[N+](=O)[O-] 753472098 LWWPUAIEUUFHDD-OAHLLOKOSA-N 435.230 4.249 5 20 IIBD C[C@@H](C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccc([N+](=O)[O-])cc1F 754236492 JHHHXTHLHGKFFB-CYBMUJFWSA-N 433.395 4.277 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754633839 XSNUJEUIJPRQRO-UHFFFAOYSA-N 447.264 4.229 5 20 IIBD C[C@H](C(=O)OCC(=O)NCCc1cccc(Cl)c1Cl)c1ccc([N+](=O)[O-])cc1F 755058804 BMSAEEKHJMTKDA-NSHDSACASA-N 443.258 4.046 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCCCN1C(=O)c1cccs1 755371002 IJFGTGBRHJEUEY-ZDUSSCGKSA-N 438.303 4.052 5 20 IIBD Cc1cc(NC(=O)c2ccc([N+](=O)[O-])s2)ccc1N(C)C(=O)c1ccc([N+](=O)[O-])s1 757709061 ULUPCHNOFJFWNS-UHFFFAOYSA-N 446.466 4.463 5 20 IIBD C[C@H](c1ccc(F)cc1)N(C)S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] 757744567 LDKRSCBMOUEADH-SECBINFHSA-N 435.246 4.017 5 20 IIBD Cc1cc(F)cc(C(=O)N2CCN([C@@H](C)c3nc4ccccc4s3)CC2)c1[N+](=O)[O-] 758379658 YYIBASRPIGKOSX-AWEZNQCLSA-N 428.489 4.171 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(Cc2ccccc2)C[C@H](O)c2ccsc2)c1 758477773 BFWAVFLFYBQYHA-FQEVSTJZSA-N 446.550 4.198 5 20 IIBD Cc1cc(NC(=O)c2ccco2)sc1C(=O)O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 759940906 OORRXLIARICWLC-UONOGXRCSA-N 444.469 4.347 5 20 IIBD Cc1nn(C)c(C)c1[C@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(F)(F)F 760757931 IURQZBLSYFOMMH-ZDUSSCGKSA-N 436.184 4.168 5 20 IIBD CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1cccc([N+](=O)[O-])c1Br 760812841 ODROTFAQKCYZLQ-UHFFFAOYSA-N 443.301 4.452 5 20 IIBD Cc1ccc(-c2noc(Cc3noc(-c4ccc(N5CCCC5)c([N+](=O)[O-])c4)n3)n2)cc1 761395944 DTMDYWHPXOIGTK-UHFFFAOYSA-N 432.440 4.194 5 20 IIBD O=C(OCCn1cc([N+](=O)[O-])ccc1=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1 761404672 FJKPIZVZJWJXDV-HXUWFJFHSA-N 446.431 4.112 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCCC2)c(F)c1 762494267 IKXVTICXLBJOMM-UHFFFAOYSA-N 447.488 4.242 5 20 IIBD CCCC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 763432530 GNLCHLGZYKDLEB-UHFFFAOYSA-N 432.285 4.441 5 20 IIBD O=C(NC[C@@H](O)c1ccc(-c2ccccc2)cc1)c1ccc(Br)cc1[N+](=O)[O-] 768550194 BTNSIPBUXQRGPT-HXUWFJFHSA-N 441.281 4.488 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NS(=O)(=O)c1csc([N+](=O)[O-])c1 768832198 DSOQFOKOTIHFGR-JTQLQIEISA-N 427.504 4.267 5 20 IIBD CC(=O)[C@@H](Cc1ccc(F)c(F)c1F)OC(=O)c1cccc([N+](=O)[O-])c1Br 768844933 IJNPQWFCUZKTHN-CYBMUJFWSA-N 446.175 4.132 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 770007108 OWJLVLBAETWJTJ-UHFFFAOYSA-N 437.283 4.282 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCCc2cnc(C)s2)c([N+](=O)[O-])c1 771922951 QUNHIXWLFURBBC-UHFFFAOYSA-N 425.466 4.032 5 20 IIBD COc1cc(CN(C)Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)ccc1OC(F)F 774634382 GSQGEBSUCRZLLD-UHFFFAOYSA-N 426.807 4.297 5 20 IIBD O=C(COCc1nc2ccccc2s1)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776140421 XDSFYEVFVSDSBA-JOCHJYFZSA-N 435.461 4.449 5 20 IIBD COc1cccc([C@H]2[C@H](C(=O)Nc3cc([N+](=O)[O-])c(Cl)cc3C)CC(=O)N2C2CC2)c1 776325853 OPDFCQRWTYPHLY-IERDGZPVSA-N 443.887 4.256 5 20 IIBD CCC(CC)(CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)O 776682211 JNDIYSMQEOOSLG-UHFFFAOYSA-N 447.875 4.121 5 20 IIBD COc1ccc(-c2nnc(SCC(=O)OCc3ccc([N+](=O)[O-])cc3Cl)o2)cc1 778094410 AFADQZCHYIBOFU-UHFFFAOYSA-N 435.845 4.142 5 20 IIBD CC[C@H]1C[C@@H](OC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)CCO1 779303379 OFKVTIXDCCLKIR-IRXDYDNUSA-N 426.469 4.006 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]1C 779993380 GIBAESQDVWGGJE-LSDHHAIUSA-N 437.562 4.472 5 20 IIBD O=C(NC[C@@H](O)c1ccc(Cl)c(F)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 780973271 ZFETVOHQRAYRLM-LJQANCHMSA-N 446.812 4.215 5 20 IIBD CC[C@@H]1C[C@H](CC(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 781781841 RTXUJNFRCKMODN-OUCADQQQSA-N 432.395 4.079 5 20 IIBD CC[C@H](C)n1c(SCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1 783721161 QBWRNHOHLFZPFR-HNNXBMFYSA-N 446.554 4.390 5 20 IIBD Cc1ccccc1-n1nc(C)c(CN(C)c2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])c1C 785772868 LPVYPSAVGUVXDW-UHFFFAOYSA-N 439.472 4.051 5 20 IIBD CC(=O)c1cccc(NC(=O)[C@@H](OC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C(C)C)c1 785950532 KYEVECPBFHWUKB-FQEVSTJZSA-N 432.860 4.200 5 20 IIBD O=C(COCc1nc2ccccc2s1)O[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 787022097 LJKHEXVOUPUGST-OAHLLOKOSA-N 445.472 4.072 5 20 IIBD Cc1c(-c2cc(COC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])on2)cnn1C 787247138 LYBJRLLOOMSJHI-UHFFFAOYSA-N 448.435 4.228 5 20 IIBD CC[C@](C)(NC(=O)Nc1ccc([N+](=O)[O-])c(I)c1)c1nccs1 787810284 VGDHPXNYLQJCKO-AWEZNQCLSA-N 446.270 4.103 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)O[C@H](C)C(=O)c2ccccc2Br)cc1[N+](=O)[O-] 789033480 OKSVDOMGBGUADX-SNVBAGLBSA-N 437.202 4.002 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OCC[C@H](C)OCc2ccccc2)ccc1[N+](=O)[O-] 789040694 QJIDYYSUHUQXKJ-PGRDOPGGSA-N 440.496 4.046 5 20 IIBD Cc1cc(F)c(Br)cc1NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 789290313 SYGFRKOSEIFDIH-UHFFFAOYSA-N 426.198 4.284 5 20 IIBD COc1cc(C(=O)Nc2ccc(Cl)nc2C)c([N+](=O)[O-])cc1OCc1cscn1 790252335 LNYHLQVDEUNSMY-UHFFFAOYSA-N 434.861 4.248 5 20 IIBD CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790547998 SXFJIXKDXUTSTA-UHFFFAOYSA-N 430.867 4.411 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 790556861 VIVVMKZUQXDCJP-CYBMUJFWSA-N 445.800 4.344 5 20 IIBD O=C(N[C@@H]1CCc2cc(F)ccc21)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 790690209 LGLRMBZKHZIQEH-QGZVFWFLSA-N 434.265 4.252 5 20 IIBD C[C@H]1C[C@@H](N(C)C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CCN1Cc1ccccc1 790758941 DVANEKCZMCROSW-YJBOKZPZSA-N 433.911 4.441 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCc3nc(C4CCCCC4)[nH]c3C2)cc1SC 791272211 JRIDFVLNQDMWNR-CQSZACIVSA-N 444.557 4.383 5 20 IIBD O=C(CCCc1ccc(Br)s1)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 791557197 XIOVSNXDQNJCHT-UHFFFAOYSA-N 429.248 4.393 5 20 IIBD CSc1ccc(C(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)cc1[N+](=O)[O-] 794027084 UXPGBMFFWQAYKY-KRWDZBQOSA-N 443.525 4.095 5 20 IIBD O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cn2ccc(Br)cc2n1 797040687 KPRLHGNVDUFFBL-UHFFFAOYSA-N 443.213 4.017 5 20 IIBD CCS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2ccc([N+](=O)[O-])cc2OC)c1Cl 797474491 FSWSRJOBIMPPLY-UHFFFAOYSA-N 448.280 4.061 5 20 IIBD CN(C(=O)c1ccc(Cl)cc1)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 799776409 AKQHZIUOTJZDQP-UHFFFAOYSA-N 446.868 4.293 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 800627678 PCFXNEKMLKACBE-UHFFFAOYSA-N 440.258 4.479 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 802049839 UZVZKYMOBWVBPZ-FQEVSTJZSA-N 441.919 4.477 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)O[C@@H](c2ccccc2)c2cccc(F)c2)cc1[N+](=O)[O-] 802064409 PKXOCULSNVOXRJ-FQEVSTJZSA-N 429.425 4.084 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1OCc1cnnn1-c1ccccc1 808032040 RKRAIVKDENTZAV-UHFFFAOYSA-N 426.230 4.065 5 20 IIBD O=C(N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1cc([N+](=O)[O-])ccc1Cl 809024971 BBSPGZJDLVFXIG-SFHVURJKSA-N 428.794 4.399 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(-c3ccc(-n4cnc5ccccc54)nc3)no2)cc2nsnc12 809228653 RPKLJZVSZZJIDK-UHFFFAOYSA-N 442.420 4.050 5 20 IIBD C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1nc(C2CCCCC2)no1 809822358 IUSNBOITEGCNTD-SECBINFHSA-N 449.316 4.372 5 20 IIBD C[C@H](CN([C@@H](C)CO)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1ccccc1 809847409 RSGIZCCUPQSZQO-OLZOCXBDSA-N 447.340 4.077 5 20 IIBD C[C@@H](CC(=O)OCc1cc(I)cc([N+](=O)[O-])c1)c1ccc(N)cc1 811180112 IXUBWBUWOVSXHH-NSHDSACASA-N 440.237 4.019 5 20 IIBD CC(=O)N[C@@H](CC(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(C)cc1 811216387 IVBUUDXDFOCKQE-FQEVSTJZSA-N 439.493 4.337 5 20 IIBD C[C@H](C(=O)Nc1ccc(NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1)n1cncn1 811470243 VJRCEOZEMYQQMH-LLVKDONJSA-N 435.271 4.305 5 20 IIBD COc1ccc([C@H](O)C2CCN([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cc1 812855346 JMUULFQMGFYOKV-VFNWGFHPSA-N 438.484 4.160 5 20 IIBD Cc1nc(-c2cccs2)c(CC(=O)O[C@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)s1 813171573 ZXHGQJKTSBMDOQ-KRWDZBQOSA-N 443.550 4.448 5 20 IIBD Cc1noc2nc(C(C)C)cc(C(=O)O[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c12 813365140 FCNIVJJSYOMXCJ-NSHDSACASA-N 446.847 4.400 5 20 IIBD C[C@H](N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(N2CCCOC2=O)cc1 814657293 OBXILNJLHOTKDS-LSDHHAIUSA-N 437.456 4.403 5 20 IIBD O=C(OCc1nc(COc2ccc(F)cc2)no1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 815510923 PAYHJPFIWGLHPW-UHFFFAOYSA-N 441.293 4.072 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C2)C1 817649412 BCXLXGBYJFKTBS-OALUTQOASA-N 431.533 4.023 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2 818880995 FRRPMYUBGJQFKK-JYRVWZFOSA-N 427.460 4.379 5 20 IIBD C[C@H](OC(=O)CCOc1ccccc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 914970547 WLHDPWYBOAXDSG-NSHDSACASA-N 427.240 4.241 5 20 IIBD Cc1c(NC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cccc1[N+](=O)[O-] 915308042 BBAVGOKKVORSQH-MRXNPFEDSA-N 430.417 4.016 5 20 IIBD O=C(COC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)NCC1CC1 926448264 MMPNXOKBUWNBBQ-UHFFFAOYSA-N 443.506 4.039 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)N(CC(F)(F)F)c1ccc(Cl)cc1 1317731733 GNOSCQSKLOBHMQ-UHFFFAOYSA-N 430.766 4.309 5 20 IIBD Cc1ccc(C(=O)c2ccccc2C(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc1 1318095014 MWZAZMYEZDFBMS-UHFFFAOYSA-N 443.503 4.092 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)c1cccc(NC(=O)OC(C)(C)C)n1 1321121381 DAFFKBQZLRCXKV-UHFFFAOYSA-N 431.445 4.481 5 20 IIBD CC(C)n1ncc2c1[C@@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CCC2 1325530512 OKUQNJIPWKJKIJ-INIZCTEOSA-N 439.438 4.387 5 20 IIBD COc1cc(-c2nnc(-c3ccc(Cl)nc3)o2)c([N+](=O)[O-])cc1OCc1cscn1 1333075774 ARMRBQLLZCXAGN-UHFFFAOYSA-N 445.844 4.404 5 20 IIBD O=[N+]([O-])c1ccc(N[C@H]2CCN(c3nnc(-c4ccccc4)cc3C(F)(F)F)C2)nc1 1335409927 MSYZYDPZSMYRQS-AWEZNQCLSA-N 430.390 4.156 5 20 IIBD C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1Cc1ccc([N+](=O)[O-])cc1Br 1349656759 SMTMLRZDMOJQIP-GXTWGEPZSA-N 428.327 4.235 5 20 IIBD CC(C)c1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CCC2)no1 1785748667 XQGVQXNDPCNPRC-UHFFFAOYSA-N 438.440 4.361 5 20 IIBD CC(C)CC(=O)Nc1ccc(C2(NC(=O)Cc3ccc([N+](=O)[O-])cc3F)CCC2)cc1 1787664235 AUOBPKQFDFRBCE-UHFFFAOYSA-N 427.476 4.457 5 20 IIBD O=C(CCc1ccoc1)NC1(c2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc2)CCC1 1790757322 AJELAXWMSPQLQT-UHFFFAOYSA-N 449.463 4.274 5 20 IIBD C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 1804345955 YDSBBDWVBXYHNI-WYGACTBSSA-N 433.508 4.050 5 20 IIBD Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)c1 1823614806 BRAPATLWLTYLTE-LJQANCHMSA-N 443.475 4.182 5 20 IIBD O=C(c1cccc(F)c1[N+](=O)[O-])N1CCC([C@H]2CCCCN2C(=O)c2ccccc2)CC1 1829875617 FIJPYIGRPJAYGY-OAQYLSRUSA-N 439.487 4.281 5 20 IIBD CCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1831388217 XWDQNTDQKFCASR-LJQANCHMSA-N 433.524 4.403 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccc([N+](=O)[O-])o2)C3)s1 1843558529 AZVYNFDDXNYNFE-WEVVVXLNSA-N 443.525 4.077 5 20 IIBD CC(C)c1ccc(CC(=O)N2CCCC23CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C3)cc1 1846102264 UFGNXIZKBJXMBJ-OUKQBFOZSA-N 447.535 4.178 5 20 IIBD CCCc1ccc(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccccc3[N+](=O)[O-])C2)cc1 1847058543 OYBBJNTXULENCU-BUHFOSPRSA-N 433.508 4.078 5 20 IIBD CC[C@@H](C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1)c1ccccc1 1847058873 VNRVQMGOZBUQAT-QZMUEMGWSA-N 433.508 4.005 5 20 IIBD C[C@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C(F)(F)F)c1 9352733 WHYOVSJHAYHDHO-NSHDSACASA-N 428.388 4.276 5 20 IIBD Cn1ccnc1Sc1ccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 10424230 QZHWYHXYADZRAI-UHFFFAOYSA-N 433.287 4.494 5 20 IIBD C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2csc(-c3ccc(Cl)cc3)n2)C1=O 10536751 PFQJRKBVBBDXFH-FQEVSTJZSA-N 442.884 4.339 5 20 IIBD COc1cc(CSc2nnc(-c3cccs3)n2C)c([N+](=O)[O-])cc1OC(F)F 10711028 CTQWEWJWBKXBIN-UHFFFAOYSA-N 428.442 4.354 5 20 IIBD C[C@H](OC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1cccc([N+](=O)[O-])c1 12257872 SWZLTZAWSIDQCU-ZDUSSCGKSA-N 443.843 4.406 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(C(F)(F)F)nc2ccccc12 22248038 RLLQDEYWKPBXQF-UHFFFAOYSA-N 438.387 4.296 5 20 IIBD CCOc1cc(CN(C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])ccc1OC(F)F 26454238 LJWGJHUIOCLHIQ-UHFFFAOYSA-N 443.834 4.319 5 20 IIBD CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)n2)o1 29186712 CNYFBQQSJIQYET-UHFFFAOYSA-N 442.497 4.497 5 20 IIBD O=C(NCc1ccc(Cn2cnc3ccccc32)cc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 61523399 ZKSBZTIZRZZMJM-UHFFFAOYSA-N 441.491 4.497 5 20 IIBD Cc1cc(C)c2sc(N(Cc3ccccc3)C(=O)Cn3cc([N+](=O)[O-])ccc3=O)nc2c1 109706079 JZNXTANSHDUDAA-UHFFFAOYSA-N 448.504 4.216 5 20 IIBD COc1cc(CNCc2ccccc2-n2ccnc2)c([N+](=O)[O-])cc1OCC(F)(F)F 237222664 MQSLUZUHLUNGNW-UHFFFAOYSA-N 436.390 4.020 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCC1(c2cccc(Cl)c2)CCOCC1 301356471 KNDZEDDVDBXZHR-UHFFFAOYSA-N 431.876 4.365 5 20 IIBD COc1cc(CCNC(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC 302903928 VZIOXSKUNICGMW-LBPRGKRZSA-N 441.406 4.234 5 20 IIBD O=C(Nc1nnc(Cc2cccc(F)c2)s1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 410027572 CUDSORXDPFEFLT-UHFFFAOYSA-N 441.488 4.031 5 20 IIBD CS(=O)(=O)c1cc(C(=O)NCc2ccccc2Sc2ccccc2)cc([N+](=O)[O-])c1 410362341 XVLJGWNHNAGAON-UHFFFAOYSA-N 442.518 4.080 5 20 IIBD CCSCc1cccc(NC(=O)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 427874558 QTXKJPUYVFFIKJ-UHFFFAOYSA-N 441.431 4.122 5 20 IIBD CCOc1c(Cl)cc(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1OC 429876442 KCGNYCHFBADHQS-UHFFFAOYSA-N 443.681 4.348 5 20 IIBD CCN(CC)C[C@@H]1CCCC[C@H]1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 430828081 RFKCEEIYBNLTEW-WMLDXEAASA-N 431.455 4.166 5 20 IIBD COC[C@@H](Nc1ccc(C(=O)c2ccccc2C(=O)OC)cc1[N+](=O)[O-])c1ccc(C)o1 433785885 KXMASLDLBHDHDF-LJQANCHMSA-N 438.436 4.313 5 20 IIBD CC[C@H](CSc1ccccc1[N+](=O)[O-])NC1CCN(C(=O)c2ccccc2O)CC1 436576419 LFOAEAJQGNIXHI-MRXNPFEDSA-N 429.542 4.066 5 20 IIBD O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 437071565 ZGRDLFKEBWOUIN-UHFFFAOYSA-N 441.793 4.397 5 20 IIBD Cc1ccc(C)c(-n2ncc(NC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)c2C)c1 437091457 YJLLCTHSCCEXHC-UHFFFAOYSA-N 430.468 4.359 5 20 IIBD CCN(C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C)[C@H](Cc1ccc(F)cc1)C(C)C 437119334 UQMCNWCETOMVIL-OAQYLSRUSA-N 439.491 4.352 5 20 IIBD CC(C)CCOc1ccc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 438656592 OVZBBIGCYILFHA-UHFFFAOYSA-N 427.501 4.395 5 20 IIBD COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)Cc1cccc([N+](=O)[O-])c1C 438921271 UDRJRSYBHIPAKQ-SFHVURJKSA-N 425.268 4.125 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCCC[C@@H]1c1ncc(-c2ccccc2)[nH]1 439195783 BEWIUULUILRKGE-OAQYLSRUSA-N 440.525 4.084 5 20 IIBD CC(C)CCOc1ccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 440998202 MEWRIPAGPUUNNM-UHFFFAOYSA-N 437.399 4.198 5 20 IIBD CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 442219551 TVVGALIQVFVGGV-UHFFFAOYSA-N 448.545 4.038 5 20 IIBD CC(C)(c1noc(-c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)n1)c1cccc(Cl)c1F 445587805 HVAXLUFCPAYGTE-UHFFFAOYSA-N 439.852 4.167 5 20 IIBD Cc1cc(C[C@@H](C)NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n(-c2ccccc2)n1 448527087 GZFGBJCDGQFMDC-QGZVFWFLSA-N 433.512 4.394 5 20 IIBD O=C(c1ccccc1)c1ccc(OCC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 460362716 LKOLAFMEHDWHEG-DEOSSOPVSA-N 448.500 4.479 5 20 IIBD COC[C@H]1CCCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cccs2)C1 461306426 KHKPOKQMEFWFMP-INIZCTEOSA-N 427.530 4.216 5 20 IIBD COc1ccc(Cl)cc1CN(C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 462427071 JCPVWTXLPYFMNW-UHFFFAOYSA-N 439.704 4.384 5 20 IIBD COc1cc(N[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] 462959175 SDMGNFDWXLMZQO-NRFANRHFSA-N 448.447 4.487 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1n[nH]c(-c2cc(Cl)ccc2Cl)n1 463172876 RPVXQCBAWCZFLC-UHFFFAOYSA-N 431.239 4.349 5 20 IIBD O=C(Nc1ccc(Cc2nnc3n2CCCCC3)cc1)c1ccc(Cl)cc1[N+](=O)[O-] 464190015 WRBLSUDNZGXNRU-UHFFFAOYSA-N 425.876 4.409 5 20 IIBD CC(C)N(C)Cc1ccccc1CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465568701 LCJRKJUBWRHUBN-UHFFFAOYSA-N 440.544 4.188 5 20 IIBD COc1ccc(C(=O)Nc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3OC)s2)cc1 466417833 RIVZQGLAQPYJKQ-UHFFFAOYSA-N 427.438 4.178 5 20 IIBD COC[C@@H]1CCCCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 466836237 SKHGEDZSVLJKCK-LJQANCHMSA-N 448.523 4.265 5 20 IIBD COc1cc(Br)c(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1OC 467159054 ASNXRTSFUGJKMN-UHFFFAOYSA-N 444.669 4.350 5 20 IIBD O=C(C[C@H]1CCCCCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 467531070 FJUYHLSEUPERKM-JOCHJYFZSA-N 432.480 4.438 5 20 IIBD COC(=O)[C@H](CC(F)F)NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 468004480 LUTUBUNZPZUSPC-ZDUSSCGKSA-N 444.843 4.326 5 20 IIBD Cc1cc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)nn1-c1c(F)cccc1F 469395930 QVKHPVMEFYODGC-HXUWFJFHSA-N 430.436 4.255 5 20 IIBD C[C@H](c1ccccc1)N(CC1CCC1)C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 469448620 RRECZNZAIJLNRA-MRXNPFEDSA-N 435.480 4.252 5 20 IIBD Cc1nnc(-c2cc(F)ccc2NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)o1 471384870 QAHOLJRSCMFGOE-UHFFFAOYSA-N 428.423 4.291 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](OC(C)C)c2ccccc2OC)cc1SC 471551201 LBVHSQUQHBPAKG-IBGZPJMESA-N 434.514 4.230 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc2c(c1)nc(C)n2Cc1ccsc1 472566517 UMUHAKJQIHTQBM-UHFFFAOYSA-N 436.493 4.301 5 20 IIBD Cc1nc(CC(C)C)c(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)s1 472689461 APFUQARBDXRUDA-UHFFFAOYSA-N 432.531 4.090 5 20 IIBD CS(=O)(=O)c1cc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)ccc1Cl 472756798 XJIGCLMYYPYYDQ-UHFFFAOYSA-N 437.886 4.028 5 20 IIBD Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 472903010 JJNOYFHSIGSKFI-SFHVURJKSA-N 449.511 4.085 5 20 IIBD CCCOc1cc(NC(=O)c2cc(-c3ccccn3)no2)c([N+](=O)[O-])cc1OCCC 474246475 GXMQHVOMIGMCTE-UHFFFAOYSA-N 426.429 4.475 5 20 IIBD CC(C)c1ccc(C(=O)N(C)[C@@H](C)c2ccc(N3CCCS3(=O)=O)cc2)cc1[N+](=O)[O-] 474365594 BNDDVABJYVFRIK-INIZCTEOSA-N 445.541 4.091 5 20 IIBD COc1cc(CN2CCCC23CCN(C)CC3)ccc1OCc1ccc([N+](=O)[O-])cc1 475131664 VHJSPFBWMHKFFG-UHFFFAOYSA-N 425.529 4.243 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)Cc1coc2cc(F)ccc12)c1ccccc1[N+](=O)[O-] 479509675 CCVMJAIIYNTDNF-SFHVURJKSA-N 428.416 4.222 5 20 IIBD COc1cc(C(=O)Nc2ccc(C(=O)Nc3cccnc3)c(Cl)c2)cc([N+](=O)[O-])c1C 480031167 NEFDTANRAOCOGS-UHFFFAOYSA-N 440.843 4.465 5 20 IIBD COc1cc(/C=C\c2nc(O)c3cc(Br)sc3n2)c([N+](=O)[O-])cc1OC 480038392 MIYWAWGOKXPVTF-ARJAWSKDSA-N 438.259 4.255 5 20 IIBD Cc1ccc(I)cc1NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 481974124 NNKUWKYRNOGBPD-LLVKDONJSA-N 425.226 4.391 5 20 IIBD CC(C)(C)c1ccc(C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)cc1[N+](=O)[O-] 482702745 CXQKBYQLHUPVNY-UHFFFAOYSA-N 432.480 4.470 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](c1oc2ccccc2c1C)C(C)C 483311498 OVFWSWDRQKJINU-LJQANCHMSA-N 425.441 4.110 5 20 IIBD COc1cccc(N(CC(C)C)S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 485123880 TUVGMASMSWWHPU-UHFFFAOYSA-N 443.319 4.217 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@H](c1ccccc1)C(F)(F)F 485577056 IIHZOUAZCOBPJI-CQSZACIVSA-N 431.208 4.362 5 20 IIBD COc1cc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)cc([N+](=O)[O-])c1C 485613532 KXFCUIKLDPNIOO-HNNXBMFYSA-N 427.482 4.347 5 20 IIBD C[C@H](C(=O)NC(C)(C)C)N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 485728914 NSSOZPDDWFZSAR-GFCCVEGCSA-N 438.322 4.352 5 20 IIBD Cn1nc(-c2ccncc2)cc1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 485919823 HWPQAFQVRGLBBS-UHFFFAOYSA-N 429.436 4.222 5 20 IIBD CCc1c(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cnn1-c1cccc(Cl)c1 486404430 MACIGNMLTWECCF-UHFFFAOYSA-N 430.848 4.266 5 20 IIBD CCc1ccc(-c2csc(NC(=O)Cn3cc([N+](=O)[O-])c(=O)c4ccccc43)n2)cc1 487875584 QHFKKHMCHMBSLW-UHFFFAOYSA-N 434.477 4.234 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC1CCN(c2nc3ccccc3s2)CC1 488436458 BGYSCIKBOYAZPA-UHFFFAOYSA-N 439.541 4.057 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCC2CCOCC2)cc1 489607097 UCUNFCOUKPAULC-UHFFFAOYSA-N 446.525 4.391 5 20 IIBD COC(=O)c1c(Br)ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1C 489646770 ZJLATWXQPYRYJX-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 490423467 UBJVPXLVPAWZFJ-GUYCJALGSA-N 444.431 4.073 5 20 IIBD COc1cc(CNC2CCN(C3CCCCC3)CC2)c([N+](=O)[O-])cc1OCC(F)F 493670700 UTGZTONLKZCGRS-UHFFFAOYSA-N 427.492 4.134 5 20 IIBD COc1ccc(C)c2c1N(S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)CCC2 494463221 JYJWXTWYCUNIFQ-UHFFFAOYSA-N 430.404 4.072 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCN(c2ccc3ccccc3n2)CC1 497571190 MNDCPDAXGFXMMV-UHFFFAOYSA-N 445.504 4.229 5 20 IIBD COCCOc1ccc([C@H](C)NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1OC 499940169 QJHRVAJEBYGTMW-HNNXBMFYSA-N 430.501 4.417 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 502113549 BREBBTRKZPJLAP-AWEZNQCLSA-N 435.415 4.081 5 20 IIBD COC(=O)CCSCc1cccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 504878010 ZTBMHRDXRBJQSH-UHFFFAOYSA-N 443.525 4.244 5 20 IIBD COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 504927311 YYFBZZVGOHLFIO-HNNXBMFYSA-N 435.274 4.352 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 507284991 TXPOLVJJHBEGEY-ROUUACIJSA-N 449.617 4.448 5 20 IIBD CN([C@H]1CCSc2ccc(Br)cc21)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 507544902 CMWKIXRNKCKTFC-HNNXBMFYSA-N 443.344 4.215 5 20 IIBD Cc1ccc(-c2cncc(F)c2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 509372683 BCABIRZPTOOFAN-UHFFFAOYSA-N 438.440 4.453 5 20 IIBD Cc1cc(F)ccc1-c1ccc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)o1 509814323 TZRXDIVUYPSIIU-UHFFFAOYSA-N 429.473 4.322 5 20 IIBD CCN(C(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-])c1ccccc1F 512434013 RXDTUXOLGUJCEG-UHFFFAOYSA-N 431.445 4.445 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(NC2CCOCC2)cc1 513072198 XXEGCPWMPRMTSU-UHFFFAOYSA-N 427.504 4.384 5 20 IIBD CCCOc1ccccc1Oc1ncccc1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 515514399 RIUQGJOHKBAUAA-UHFFFAOYSA-N 443.481 4.049 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N(Cc1ccc2c(c1)OCO2)c1ccccc1 517963558 KOCNHYXWBWGUDF-UHFFFAOYSA-N 446.868 4.372 5 20 IIBD COc1ccc(CNC(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)cc1[N+](=O)[O-] 518980405 WVVUMMPVBCJJBH-UHFFFAOYSA-N 426.448 4.313 5 20 IIBD CC(C)C[C@@H](CNC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)N[C@@H](C)c1ccccc1 520393766 VZNYGMOBLZRVGV-WMZOPIPTSA-N 436.512 4.344 5 20 IIBD CCOCCCN1CC[C@@H](Nc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])[C@@H](C)C1 520449306 CSSIWTXHBKKVIO-GHTZIAJQSA-N 425.529 4.375 5 20 IIBD C[C@@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cc2c(cc1Br)OCCO2 521091587 TWAVPUSANDYSHR-SECBINFHSA-N 441.665 4.273 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cccc(CSC3CCOCC3)c2)cc([N+](=O)[O-])c1 522478842 RDSUWZAOMRFSBM-UHFFFAOYSA-N 444.509 4.436 5 20 IIBD COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Nc2cccc(C(F)(F)F)c2)nn1 523102537 OSYUEMZNFJAQIE-UHFFFAOYSA-N 433.346 4.408 5 20 IIBD CC(C)N(C[C@H](O)COc1cccc2ccccc12)C(=O)NCc1cccc([N+](=O)[O-])c1 524590868 UAQVMPHNNHGIGJ-NRFANRHFSA-N 437.496 4.108 5 20 IIBD Cc1csc(Sc2ccc(NC(=O)C(=O)NCc3ccc([N+](=O)[O-])cc3)c(C)c2)n1 530604385 RMAIPCOOJDUJGQ-UHFFFAOYSA-N 442.522 4.074 5 20 IIBD O=C(Nc1cc(Cl)ccc1-c1nc(C2CC2)no1)c1cc([N+](=O)[O-])cc2c1OCCO2 530833386 GOCJAGYHSGVUIZ-UHFFFAOYSA-N 442.815 4.199 5 20 IIBD Cc1ccc([C@H](C)N[C@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)cc1[N+](=O)[O-] 531443681 JJSREEWJGSKKCH-XDHUDOTRSA-N 447.491 4.340 5 20 IIBD Cc1ccc(-c2nc(CN3CCN(C(=O)c4ccc([N+](=O)[O-])s4)CC3)cs2)cc1 535787980 FUIONRDJVKNZHY-UHFFFAOYSA-N 428.539 4.046 5 20 IIBD COc1cccc(-c2noc([C@@H](C)NC(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])n2)c1 537287556 AFTIOTQPYFESPY-CQSZACIVSA-N 445.435 4.206 5 20 IIBD Nc1c(C(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)cc(F)cc1[N+](=O)[O-] 537691292 UNHNCCMCFXBERH-UHFFFAOYSA-N 433.268 4.099 5 20 IIBD Cc1ccsc1[C@@H](Cc1ccccc1)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 541596662 FLKZHCWVUJIUJM-QGZVFWFLSA-N 439.493 4.206 5 20 IIBD CCc1ccc([C@H](NCc2ccc(NS(C)(=O)=O)cc2)c2ccc([N+](=O)[O-])cc2)o1 542474395 HOMVAVXNEZDILB-OAQYLSRUSA-N 429.498 4.001 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc(CSc2nncn2-c2cccc(Cl)c2)n1 544796621 YJPIYGMJAYZLQA-UHFFFAOYSA-N 428.861 4.480 5 20 IIBD Cc1c(-c2nc(Cc3ccccc3[N+](=O)[O-])no2)cnn1-c1ccc(Br)cc1 544912788 YNWLGBYXVRUMFY-UHFFFAOYSA-N 440.257 4.492 5 20 IIBD COc1ccc(CSCc2nc(-c3ccc(C)nc3N3CCCC3)no2)cc1[N+](=O)[O-] 545661830 JIOUOZHNWWCDQI-UHFFFAOYSA-N 441.513 4.390 5 20 IIBD COc1cccc(OC)c1OCc1noc(-c2ccc([N+](=O)[O-])cc2Br)n1 545781776 WJBORDRXRMIONW-UHFFFAOYSA-N 436.218 4.004 5 20 IIBD Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 546078481 UIAUQSIGUNCLBU-UHFFFAOYSA-N 445.357 4.095 5 20 IIBD C[C@@H]1C[C@@H](CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CN1Cc1ccccc1 547245942 GAXARQKUWRTNLW-IEBWSBKVSA-N 427.520 4.428 5 20 IIBD O=C(Nc1cc(F)c(F)cc1N1CCOCC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 561377737 DHOPHSJRPXEMDA-UHFFFAOYSA-N 440.406 4.024 5 20 IIBD CC(C)(C(=O)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1)c1ccc([N+](=O)[O-])cc1 568693492 LLSPANVYBKXUTI-SFHVURJKSA-N 438.402 4.371 5 20 IIBD C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 572623561 LIUZYFRIXVTIIA-APPDUMDISA-N 434.374 4.092 5 20 IIBD CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCSC(CC)(CC)C1 574048666 QCIWEGIYPWJMKM-UHFFFAOYSA-N 433.578 4.392 5 20 IIBD O=C(Nc1cccc(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c1)c1ccccc1 574560478 FALXGVXMZISBFI-UHFFFAOYSA-N 432.436 4.274 5 20 IIBD CCSc1cccc(Br)c1NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] 576354285 PRVQPSUMZQJFOL-UHFFFAOYSA-N 447.332 4.279 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCCOC1CCN(Cc2ccccc2)CC1 583782452 MIZVOXQJNJKDHI-UHFFFAOYSA-N 440.544 4.350 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 588177013 MGGDZAWLZLGMST-YTFSRNRJSA-N 436.556 4.079 5 20 IIBD CC(=O)N[C@H](CC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)c1ccc(Br)cc1 590550770 SCPDKXJLHQHVOP-MRXNPFEDSA-N 434.290 4.180 5 20 IIBD Cc1cccc(-n2c(SCCn3c([N+](=O)[O-])cnc3C)nc3ccccc3c2=O)c1C 601917021 QVXNKRKOBHKMFO-UHFFFAOYSA-N 435.509 4.208 5 20 IIBD COC(=O)c1ccccc1N(C)C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 602218392 MOYBSULELSTZIY-UHFFFAOYSA-N 428.388 4.155 5 20 IIBD O=C(CCCOc1ccccc1)Nc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 603761856 QRDFCTJWWQKRJU-UHFFFAOYSA-N 433.464 4.323 5 20 IIBD Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NC(=O)COc1ccccc1[N+](=O)[O-] 603977251 ZDIJIEDRSSPJOW-IYBDPMFKSA-N 425.485 4.039 5 20 IIBD O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604258197 VGXOGPXFTSWFME-GHMZBOCLSA-N 425.329 4.372 5 20 IIBD CCOc1cc(C(=O)N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OC 604519174 QAHKMFCEFJBDGP-VGOFRKELSA-N 428.485 4.242 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 604553443 VUSRRPSSTLZMEN-UHFFFAOYSA-N 444.491 4.438 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 608840298 OLAZOTYAOZDQOI-CQSZACIVSA-N 441.419 4.204 5 20 IIBD COC(=O)[C@H](C)CN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C1CC1 608851420 SJLQCUBBSYHXTB-CYBMUJFWSA-N 432.860 4.454 5 20 IIBD CC1CCN(c2ccc(C(=O)NCc3nc4ccc(Cl)cc4[nH]3)cc2[N+](=O)[O-])CC1 609532422 HPAADIHIQBZQNB-UHFFFAOYSA-N 427.892 4.291 5 20 IIBD C[C@H](NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1nc2ccccc2n1C(F)F 609547331 HDKPGYYAXSPLFH-JTQLQIEISA-N 427.367 4.084 5 20 IIBD O=C(CCCCCNC(=O)NC1CCCCC1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 609679677 ATPADBRMJQDATQ-UHFFFAOYSA-N 442.520 4.116 5 20 IIBD CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 609761497 RFCKMMZFXFJLTC-UHFFFAOYSA-N 427.438 4.146 5 20 IIBD COc1ccc(COCCC(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)cc1 609854354 BEWPLAKBYNTDIT-UHFFFAOYSA-N 434.448 4.380 5 20 IIBD C[C@H]1CCCCN1[C@@H](C)CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 609855216 QQOUMGHGRMZFME-STQMWFEESA-N 440.331 4.080 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(C(C)C)nn1-c1ccc(C)cc1 610105765 QMLUDCODNGZECD-UHFFFAOYSA-N 430.486 4.022 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 611150695 DSBHJZPVLBFJBO-OAHLLOKOSA-N 432.402 4.033 5 20 IIBD CC(C)(C)OC(=O)c1cccc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 611426899 MXFAHONRLKBETJ-UHFFFAOYSA-N 442.515 4.426 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CC(Cc2ccccc2)C1 611520599 LKERLKYJIONCNA-UHFFFAOYSA-N 431.279 4.402 5 20 IIBD C[C@H](NC(=O)N1CCO[C@@H](c2ccccc2Br)C1)c1cccc([N+](=O)[O-])c1 725863233 AEPJPTGGVXPJMI-SCLBCKFNSA-N 434.290 4.201 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)Nc1cccc(Cl)c1 725985308 KNZUXERLXGXJKL-VIFPVBQESA-N 427.638 4.195 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)OCCCOc2ccccc2Cl)ccc1[N+](=O)[O-] 726731935 KPBLMXWCLOXQKX-IBGZPJMESA-N 446.887 4.174 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@@H](OC1CCCC1)c1ccccc1 727018053 QVEKKKIBAXNBSC-BTYIYWSLSA-N 442.468 4.174 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)N1CCC[C@H](C2OCCO2)C1 728054731 AZWMETJPJPIMQK-OXJNMPFZSA-N 445.903 4.013 5 20 IIBD Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)OCc3c(F)cccc3[N+](=O)[O-])cc2)cc1 728995175 OWUZQVSJQOFMSU-UHFFFAOYSA-N 443.452 4.373 5 20 IIBD CCOC(=O)/C(=C/c1ccc(OC)c([N+](=O)[O-])c1)c1nc(O)c2c(C)c(C)sc2n1 730151543 MKPOTGOMYPZFRO-MDWZMJQESA-N 429.454 4.034 5 20 IIBD COc1cc(C(=O)OCCc2ccccc2F)c([N+](=O)[O-])cc1OCc1cscn1 731138277 NEMSPPWRQVKUIO-UHFFFAOYSA-N 432.429 4.178 5 20 IIBD CC(C)n1c(S)nnc1[C@@H]1CCCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 732166838 BRWPOUNWBSMLTG-OAHLLOKOSA-N 431.562 4.373 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](O)c1ccc(Cl)cc1Cl 732299246 XUHUZKAVNAQDDD-VFZGTOFNSA-N 433.675 4.172 5 20 IIBD O=C(OCc1ccc(Cl)cc1Cl)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 733557241 LNUGNXLRSKBYPW-CYBMUJFWSA-N 429.281 4.311 5 20 IIBD CC(C)n1ccc(COC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)n1 735123365 GSOFRWQEWYAACQ-UHFFFAOYSA-N 436.468 4.026 5 20 IIBD COc1cc(CNc2ccc(O[C@H]3CCOC3)cc2)c([N+](=O)[O-])cc1OCC(F)(F)F 740018406 OIOCDBLAUWTOHX-INIZCTEOSA-N 442.390 4.324 5 20 IIBD C[C@@H](OC(=O)C1CCN(Cc2ccccc2)CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 741330893 RYTZLBFEAXTYDS-MRXNPFEDSA-N 436.468 4.161 5 20 IIBD Cc1ccncc1C(=O)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 742702245 GPFJFWLDLFTSTI-IBGZPJMESA-N 425.828 4.488 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])cc1 742887019 JBEYTIGQPGHRDH-CQSZACIVSA-N 443.456 4.011 5 20 IIBD O=C(NC1CCN(CC2CCCCC2)CC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 744019277 KEXAIXXTBCPSRT-UHFFFAOYSA-N 443.466 4.310 5 20 IIBD COc1ccc(C2(C(=O)O[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CCCC2)cc1 744888266 PDYPHGZWGMOORW-MRXNPFEDSA-N 426.469 4.294 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)cccc1[N+](=O)[O-] 745294244 TXWJEIKVNYQXHU-AWEZNQCLSA-N 445.447 4.211 5 20 IIBD O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 746984884 GOAYBYTVNVCPNR-FQEVSTJZSA-N 446.454 4.105 5 20 IIBD COc1ccc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c(OC2CCCC2)c1 747889842 FKXMRWVOFNYXRT-UHFFFAOYSA-N 429.429 4.071 5 20 IIBD COc1ccc(NC(=O)CSc2ccc(Br)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 749132554 PHBGAIWHGFNABM-UHFFFAOYSA-N 442.247 4.005 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1cccc2c1CCN2C(=O)OC(C)(C)C 753978892 OYDSQBLWDMTUHQ-UHFFFAOYSA-N 426.473 4.251 5 20 IIBD Cc1c([N+](=O)[O-])cnc(NC[C@@H](O)c2ccc(OC(F)(F)F)cc2)c1Br 754026300 PHSYZKMVABXSAL-GFCCVEGCSA-N 436.184 4.105 5 20 IIBD CC(=O)Nc1cc(Cl)ccc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754968254 QHRSQHWFUCNYPI-UHFFFAOYSA-N 430.617 4.361 5 20 IIBD CCS[C@H](C)c1noc(CN(C)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)n1 755029747 XMKUZLXJMPSRJT-SECBINFHSA-N 444.311 4.218 5 20 IIBD C[C@@H](OC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 755763100 PMWCXNZMIOTPQH-FZKQIMNGSA-N 447.285 4.153 5 20 IIBD Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)C2)c1 756990992 ZDNHTPOOZLJTQV-INIZCTEOSA-N 429.904 4.034 5 20 IIBD O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 759997387 DLULIDUGXJATQX-UHFFFAOYSA-N 432.845 4.252 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)Nc2ccnn2CC2CC2)cc1[N+](=O)[O-] 763786570 RMTBNUROLVTLEK-UHFFFAOYSA-N 436.493 4.407 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N[C@@H](C)C[C@H](O)c2ccco2)c([N+](=O)[O-])c1 764166799 QRDDOCLLDSYSEG-XOBRGWDASA-N 438.436 4.130 5 20 IIBD CC(C)(C)OC(=O)N1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)sc2C1 764176794 ZOKOLWRELAJKRU-UHFFFAOYSA-N 438.893 4.250 5 20 IIBD Cn1ccnc1[C@@H](NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Cl)cc1 764779268 QJTJBBZZPYRFJZ-NRFANRHFSA-N 425.920 4.330 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1 765441777 AFECZVYFSRNPHP-AWEZNQCLSA-N 434.408 4.246 5 20 IIBD COc1cc(S(=O)(=O)Oc2ccc(Cc3ccccc3)cc2[N+](=O)[O-])cnc1Cl 767803204 BFPNQJODRVFHCR-UHFFFAOYSA-N 434.857 4.010 5 20 IIBD O=C(Nc1cccc(Oc2ncc(Br)cn2)c1)c1cc([N+](=O)[O-])ccc1F 770667204 UWIIGPPBMWIDAM-UHFFFAOYSA-N 433.193 4.331 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H](C)[C@H](O)c2ccc(F)cc2)cc1 771685028 JQZVNECKQQMCDX-FPTDNZKUSA-N 440.427 4.387 5 20 IIBD CCCCn1ncc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1C 772343517 VDXDHSBEXBAPTJ-LBPRGKRZSA-N 442.394 4.103 5 20 IIBD O=C(O[C@@H](C(F)F)[C@@H]1CCCO1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 774434904 HPAWNFRZYNITHO-GXTWGEPZSA-N 436.198 4.057 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 775088480 COYGOWLZLORGNP-GFCCVEGCSA-N 433.442 4.188 5 20 IIBD COc1ccc(NC(=O)c2ccccc2NC(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 775179708 JNTGZOBAFFSCSN-INIZCTEOSA-N 448.479 4.145 5 20 IIBD O=C(COC(=O)c1coc(-c2ccccc2Cl)n1)Nc1ccc([N+](=O)[O-])cc1Cl 776438761 AZHUTRULTGVCPJ-UHFFFAOYSA-N 436.207 4.352 5 20 IIBD C[C@@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@H](OC1CCOCC1)c1ccccc1 778047945 ACJRQRXXBBDKKO-QRWLVFNGSA-N 434.439 4.128 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2ccnc(SC(C)(C)C)c2)c([N+](=O)[O-])c1 778863216 RWILSYRYXUMCHF-UHFFFAOYSA-N 433.486 4.075 5 20 IIBD COc1cc(CNC2CCC(N3CCCCC3)CC2)c([N+](=O)[O-])cc1OCC(F)F 779088210 RAPDJVMNJIIBEM-UHFFFAOYSA-N 427.492 4.134 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CN3CCC(Oc4cncc(Cl)n4)CC3)cs2)c1 779190893 SAKAUQHEQMZFGM-UHFFFAOYSA-N 431.905 4.205 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](CCOC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 783185933 ZSWUVDINZGNCLV-INIZCTEOSA-N 436.508 4.485 5 20 IIBD COC(=O)c1ccccc1COC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 785228065 NHGYXCGMYVMESE-HNNXBMFYSA-N 435.436 4.307 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(Br)cc1[N+](=O)[O-] 785658473 HMVQYFOREOMHGP-UHFFFAOYSA-N 448.151 4.214 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)OCc1coc(-c2c(F)cccc2F)n1 786784667 HRZMAOKGXUKYAM-UHFFFAOYSA-N 441.346 4.198 5 20 IIBD CN(C)CCCN(C(=O)c1cc([N+](=O)[O-])ccc1N)C(c1ccccc1)c1ccccc1 786873813 JNXCXDJKSUGWQI-UHFFFAOYSA-N 432.524 4.361 5 20 IIBD Cc1cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(-c2nc3ccccc3s2)n1 789750296 PLFDMBZIHYHOFK-UHFFFAOYSA-N 449.901 4.153 5 20 IIBD CC(C)Oc1cc(F)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 790941172 WIIZCNDYJVNGEZ-UHFFFAOYSA-N 434.239 4.051 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)O[C@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC 795710440 FVJDJATWSNYYNP-GFCCVEGCSA-N 436.848 4.148 5 20 IIBD CCCc1[nH]nc(C(=O)OCc2ncc(-c3ccccc3Br)o2)c1[N+](=O)[O-] 796265800 OMFZOAJVXLKSRJ-UHFFFAOYSA-N 435.234 4.045 5 20 IIBD CCOC(=O)c1cc(C(=O)O[C@@H](c2nc3ccccc3o2)C(F)(F)F)cc([N+](=O)[O-])c1 798242149 XBOIGKVVUZYQTG-HNNXBMFYSA-N 438.314 4.373 5 20 IIBD CCOC(=O)CN(C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccc(C)cc1 798729313 AREALAITRUZORD-UHFFFAOYSA-N 440.374 4.054 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 799234853 NLCJMUMVTISFQB-AWEZNQCLSA-N 428.445 4.175 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Oc2cccc3c2CCC(C)(C)O3)cc1[N+](=O)[O-] 799412966 MXUBBISWOMAPEK-UHFFFAOYSA-N 440.481 4.197 5 20 IIBD O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ncccc1Oc1ccccc1 799605896 LLTRAAQIOHCPOB-UHFFFAOYSA-N 434.452 4.251 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NC[C@H](Cc1ccccc1)c1ccccc1 800614509 XHAHAASXQUQUDZ-IBGZPJMESA-N 435.455 4.124 5 20 IIBD CCCc1[nH]nc(-c2nc(-c3cccc(Cn4cnc5ccccc54)c3)no2)c1[N+](=O)[O-] 904490922 ZLRHBOHUZMFZCX-UHFFFAOYSA-N 429.440 4.385 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1I)N1CCC[C@H]1c1ccc(F)cc1 915279414 YPELIRHNNIQGIP-INIZCTEOSA-N 440.212 4.316 5 20 IIBD CCOc1cccc2cc([C@H](C)NC(=O)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)oc12 915744326 YGMSBJZUZJOOOK-NSHDSACASA-N 431.832 4.209 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@@H]1COc1ccc(Cl)cc1 915856508 PKGDNZHHKPICBH-LJQANCHMSA-N 426.860 4.118 5 20 IIBD Cc1c(OC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)cccc1[N+](=O)[O-] 917050177 ROLXCKAYZUJQKL-UHFFFAOYSA-N 427.463 4.009 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] 918389271 FJKUYJFHHYTWOU-UHFFFAOYSA-N 431.832 4.200 5 20 IIBD O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)OCCCOc1ccc([N+](=O)[O-])cc1 919043019 VHESEQKSIPWUAP-KRWDZBQOSA-N 436.873 4.063 5 20 IIBD C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 920147903 IFWBBYRWSRKAOM-AWEZNQCLSA-N 448.903 4.286 5 20 IIBD CN(C[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1)C(=O)OC(C)(C)C 920213639 WLUDFSXHZFRAJH-CYBMUJFWSA-N 426.901 4.359 5 20 IIBD Cc1ccc([C@@H](NC(=O)COC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C2CC2)cc1 920779000 XWJBGBAAXMEGRA-LHSJRXKWSA-N 446.887 4.135 5 20 IIBD Cc1noc([C@@H](C)OC(=O)CSc2nc3cc([N+](=O)[O-])ccc3n2-c2ccccc2)n1 925272653 OVWADPMVRNNZKE-GFCCVEGCSA-N 439.453 4.022 5 20 IIBD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(-c3ccc(SC)c([N+](=O)[O-])c3)o2)c1 1117161190 RWOIRBZELBDRHS-UHFFFAOYSA-N 448.526 4.064 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NC3CCC(O)(C(F)(F)F)CC3)cc2[N+](=O)[O-])C1 1319717769 UUTSUPZRRVOKPU-IUXSAEICSA-N 443.466 4.043 5 20 IIBD O=C(NCc1ccco1)[C@@H]1CCCN1Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 1336944188 YGGLJBGKMULMBH-SFHVURJKSA-N 429.860 4.382 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)OC[C@H]1CCC(=O)N(C)[C@H]1c1cccc(Cl)c1 1343293441 XXGLLADWQSAVCK-VLIAUNLRSA-N 431.876 4.056 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3cnccc3Cl)CCC2)cc1)c1ccc([N+](=O)[O-])o1 1785750764 QOLGGIUCEBAMTE-UHFFFAOYSA-N 440.843 4.298 5 20 IIBD CC(C)c1nc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])o4)CCC3)cc2)co1 1787025032 MVWLNJGZKOJMPO-UHFFFAOYSA-N 438.440 4.361 5 20 IIBD Cc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C24CCC(CC2)CC4)C3)cc1[N+](=O)[O-] 1800140055 PVZJGBLTKADWSY-CLZVLWOCSA-N 439.556 4.054 5 20 IIBD C[C@@H]1CCC[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 1801206847 ALEJGFBUBPJBCD-WIMVFMHDSA-N 441.553 4.498 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Sc2nc(C3CC3)nn2-c2ccccc2)c([N+](=O)[O-])c1 10203943 RWJORKFLYCKRTA-ZDUSSCGKSA-N 439.497 4.181 5 20 IIBD O=C(OCc1nc2ccccc2c2ccccc12)c1cccc(N2CCCS2(=O)=O)c1 12655316 NGDFHGNOWNYBKC-UHFFFAOYSA-N 432.501 4.285 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N2CCC(c3nc4ccccc4s3)CC2)c([N+](=O)[O-])c1 14927638 FWPKLULZVDMUMY-CQSZACIVSA-N 440.525 4.420 5 20 IIBD CCCNC(=O)[C@H](C)OC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 16941322 YNESQWUIPZTRBN-LBPRGKRZSA-N 436.848 4.121 5 20 IIBD NC1=Nc2nc3ccccc3n2[C@@H](c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)N1 18053655 YFJHBSVRLBAUAQ-IBGZPJMESA-N 434.843 4.487 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2cccc(Br)c2)o1 21322392 SYWLASHIJBPPJP-UHFFFAOYSA-N 449.286 4.447 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1OC 22021464 RIDZEEIMJGJYBX-NSHDSACASA-N 443.283 4.426 5 20 IIBD O=C(OCC(=O)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1)c1ccc([N+](=O)[O-])o1 24458851 IHJFJJYBAGWYBM-HNNXBMFYSA-N 449.375 4.062 5 20 IIBD Cc1nc(SCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)n(C2CCCCC2)c1C 26621601 FAZCPXNLWKBZIM-UHFFFAOYSA-N 432.502 4.373 5 20 IIBD CCOc1cc(CNCc2ccco2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 61002475 OHWYDEXZNFNJCJ-UHFFFAOYSA-N 440.452 4.322 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 62033015 WCDBBWUOFLECLT-UHFFFAOYSA-N 425.828 4.295 5 20 IIBD CC(C)Cc1ccc(C(=O)C2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 195536819 MRNMRZHPVNINLN-UHFFFAOYSA-N 430.526 4.077 5 20 IIBD CCOc1cc(C(=O)N[C@H](C)Cc2cccc(Br)c2)c([N+](=O)[O-])cc1OC 195678028 GDNODUBUFWYLRB-GFCCVEGCSA-N 437.290 4.126 5 20 IIBD Cc1c(CNC(=O)c2cc(Br)sc2Br)cccc1[N+](=O)[O-] 235810568 QSNIMOBDQIJDIX-UHFFFAOYSA-N 434.109 4.420 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNCCCOC3CCOCC3)o2)c(Br)c1 236568213 WVTUPKSAWFNHJA-UHFFFAOYSA-N 439.306 4.293 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N[C@@H]2COc3cc(F)c(Br)cc32)cc1[N+](=O)[O-] 410189934 PEUHKYRAHAQAJB-MEBBXXQBSA-N 438.253 4.299 5 20 IIBD NC(=O)N1CCCc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)cc21 427963105 HQRJFGHJULAKOV-UHFFFAOYSA-N 432.436 4.471 5 20 IIBD O=C(NCc1ccc(Br)c(F)c1)c1ccc(Br)cc1[N+](=O)[O-] 429851245 YRAQBQAUSOVCIQ-UHFFFAOYSA-N 432.043 4.189 5 20 IIBD CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 430432594 AMNXZHKPZWFQNE-WMZOPIPTSA-N 427.309 4.110 5 20 IIBD CCOc1ccc([C@@H]2CCCN2C(=O)COc2c(Br)cccc2[N+](=O)[O-])cc1 431222306 GJROYZVDGHXNDZ-KRWDZBQOSA-N 449.301 4.499 5 20 IIBD O=C(O)CCCOc1ccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1 431798700 QPUDEZSFSROZGK-UHFFFAOYSA-N 434.423 4.316 5 20 IIBD Cn1cnnc1Sc1ccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1 435936532 MQASCEVEJMMWKG-UHFFFAOYSA-N 445.479 4.352 5 20 IIBD O=C(Nc1ccccc1Cl)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1O 436753257 DAFYZYYNFPPKBO-UHFFFAOYSA-N 447.856 4.007 5 20 IIBD C[C@H](C(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1)n1cccn1 437134344 FZJZURWSIWMCTH-GFCCVEGCSA-N 447.373 4.262 5 20 IIBD CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 440545452 VAVKYNKSLVAPAO-ICSRJNTNSA-N 427.570 4.446 5 20 IIBD C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(Br)s1 444276359 MKBMEHSCTMCEPM-ZETCQYMHSA-N 425.713 4.112 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444308588 ABXBHXQABQMOPG-UHFFFAOYSA-N 443.793 4.451 5 20 IIBD C[C@H](NC(=O)NCc1cnn(-c2ccc(Br)cc2)c1)c1cccc([N+](=O)[O-])c1 444957566 GSOZVPBKIUUXIM-ZDUSSCGKSA-N 444.289 4.103 5 20 IIBD O=C(Cc1noc(C(F)(F)c2ccc([N+](=O)[O-])cc2)n1)Nc1ccc(F)c(Cl)c1 445368461 QPQUIWYZBMMYSB-UHFFFAOYSA-N 426.738 4.092 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 445741268 JNTBNEMFHXOQFU-UHFFFAOYSA-N 429.274 4.341 5 20 IIBD C[C@H](CCCO)NC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 447121658 MCXGGTWVHXEZQC-GFCCVEGCSA-N 425.844 4.140 5 20 IIBD CCc1nn(C)c(N2CCC[C@H](c3nc(-c4ccccc4OC)cs3)C2)c1[N+](=O)[O-] 447694470 RWSICQXLKMIDNZ-AWEZNQCLSA-N 427.530 4.407 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)NC(C)(C)COc2ncccc2C(F)(F)F)c1 448398315 ROTNPSUVKYCQMH-UHFFFAOYSA-N 429.420 4.318 5 20 IIBD COc1cc(C(=O)NC[C@H](C)Oc2ccccc2Cl)c([N+](=O)[O-])cc1OC(F)F 460446821 HULRKPKGHHLZFD-JTQLQIEISA-N 430.791 4.056 5 20 IIBD CNc1c(C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)cccc1[N+](=O)[O-] 462983464 CLRPEGDLRXOSNN-MRXNPFEDSA-N 428.247 4.296 5 20 IIBD CC(C)(C)C(=O)Nc1nc(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cs1 463764096 FPVJPYIKYHLIHZ-UHFFFAOYSA-N 445.526 4.341 5 20 IIBD CO[C@H](C)c1nc(CN2CCCN(C(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)CC2)cs1 463956354 YRFDKTTULRVDDJ-MRXNPFEDSA-N 447.561 4.115 5 20 IIBD Cc1cc(NC(=O)c2cc(COc3ccccc3F)on2)n(-c2ccc([N+](=O)[O-])cc2)n1 464561607 VYFTXHRDGXGMHL-UHFFFAOYSA-N 437.387 4.047 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1cccc(COCCc2ccccc2)c1 465171336 XYLDSIKAUDDPHY-UHFFFAOYSA-N 448.475 4.307 5 20 IIBD O=C(Nc1cncc2nncn12)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 466422330 KWFLBMWNGOSSSE-UHFFFAOYSA-N 426.845 4.089 5 20 IIBD C[C@@H](CC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)c1cccc(F)c1 468732347 GQQFYORLSXWXAM-LBPRGKRZSA-N 441.381 4.190 5 20 IIBD C[C@@H](NS(=O)(=O)c1cccc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c1)c1ccccc1 470711660 ZLMBKERTRSLIFQ-CQSZACIVSA-N 443.456 4.026 5 20 IIBD COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1cc(C)c([N+](=O)[O-])cc1C 473767465 SRHLSSCKUAFEQX-UHFFFAOYSA-N 428.894 4.081 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)cc1SC 475854928 WOYWMLDIIOXJLV-KRWDZBQOSA-N 440.880 4.332 5 20 IIBD Cc1c(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)csc1Br 476694495 TYQCEOHZZARKPI-UHFFFAOYSA-N 425.304 4.411 5 20 IIBD CCOc1cc(N2CCN(C(=O)CCc3ccc(-c4ccccc4)[nH]3)CC2)ccc1[N+](=O)[O-] 477376489 RDLHVNBGNWWYSI-UHFFFAOYSA-N 448.523 4.270 5 20 IIBD O=[N+]([O-])c1cc(I)ccc1OCc1nnc(-c2ccccc2)s1 478879309 BOIRKSOIXIHCMZ-UHFFFAOYSA-N 439.234 4.297 5 20 IIBD CCc1cccc(C)c1NC(=O)COc1ccc(I)cc1[N+](=O)[O-] 478902609 PVUKEFXGLXDNOK-UHFFFAOYSA-N 440.237 4.088 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)cc1[N+](=O)[O-] 479152112 GMNOGYAIBYMEPF-UHFFFAOYSA-N 428.854 4.015 5 20 IIBD O=C(Nc1ncn(Cc2ccc(Cl)cc2)n1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 480138937 HPMCJMIJBRQRBW-UHFFFAOYSA-N 440.872 4.264 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N(Cc1c(F)cccc1F)C1CC1 481122117 JDGOYZQJZZLRPA-UHFFFAOYSA-N 425.229 4.369 5 20 IIBD Cn1cc([C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c2ccc(F)cc2)cn1 481264891 ZGLJJBZJYVIUBA-QGZVFWFLSA-N 437.353 4.397 5 20 IIBD O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 481897317 UDDPUCBCYSZVIU-NZQKXSOJSA-N 434.540 4.296 5 20 IIBD COC(=O)c1cc(NC(=O)Cc2c[nH]c3cccc(Br)c23)c(C)c([N+](=O)[O-])c1 485965165 MUBQJHMDPSYQBB-UHFFFAOYSA-N 446.257 4.115 5 20 IIBD COc1ccc2c(c1)[C@@H](NC(=O)c1cc(OCc3ccccc3)ccc1[N+](=O)[O-])CCO2 486152211 KPDZQAHGGFEETQ-NRFANRHFSA-N 434.448 4.436 5 20 IIBD COc1cc(C(=O)N(C)C)ccc1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 486177971 MHGJDLMPHHZXNO-UHFFFAOYSA-N 449.463 4.137 5 20 IIBD COc1ccc(SCCC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1OC 486682615 GWXUKOIAPFSJPM-UHFFFAOYSA-N 444.431 4.429 5 20 IIBD O=C([C@@H](Oc1ccc(Cl)cc1)c1ccccc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 487101423 PSRZXPGJAVNZOW-NRFANRHFSA-N 440.887 4.429 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2ccccc2C(C)=O)nnc1-c1ccc([N+](=O)[O-])cc1 489390631 QDLYYQXDQBVHKQ-CQSZACIVSA-N 439.497 4.195 5 20 IIBD C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCN1Cc1ccccc1 489907525 OBMAWTCFCLRMBT-DOTOQJQBSA-N 433.455 4.321 5 20 IIBD O=C(Nc1cccc(-c2noc(C(F)(F)F)n2)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 490279787 RKZHKGQFSBVMCW-UHFFFAOYSA-N 444.329 4.102 5 20 IIBD O=C(Nc1ccccc1CN1CCOCC1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 490651183 RMTUEMDMDKCIHW-UHFFFAOYSA-N 446.507 4.291 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 490948384 IIDZZEBPTPJSAO-GOSISDBHSA-N 437.456 4.090 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)cc1[N+](=O)[O-] 491834091 XFNDNSANAKQVJN-UHFFFAOYSA-N 440.403 4.217 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1 494014460 DBMTXHAJEYKXSI-HNNXBMFYSA-N 441.406 4.083 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(OC3CCCC3)c(F)c2)cc1[N+](=O)[O-] 494017302 MDDUQAPNEPXLHO-AWEZNQCLSA-N 429.448 4.180 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccnc(-c3ccccc3)c2)ccc1[N+](=O)[O-] 500415208 IYPUMSIGBSVVBH-JOCHJYFZSA-N 430.464 4.209 5 20 IIBD CCOc1cc(C(=O)N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)c([N+](=O)[O-])cc1OC 502216986 BRKUMVIXGYEQON-LBPRGKRZSA-N 442.390 4.434 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 503447627 LPXDABKAPWWDCW-AWEZNQCLSA-N 449.529 4.389 5 20 IIBD Cc1sc(NC(=O)CCCNC(=O)[C@@H]2CC=CCC2)nc1-c1cccc([N+](=O)[O-])c1 507789523 AGPZDGNPZGPWHC-OAHLLOKOSA-N 428.514 4.218 5 20 IIBD O=C(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)NCc1ccc(-c2ccc(Cl)cc2)o1 508513322 RAUHXWPVNRKWDU-UHFFFAOYSA-N 437.843 4.083 5 20 IIBD CC(C)N(C)C(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 509588062 UMLSZWWNUPNKSH-UHFFFAOYSA-N 446.312 4.183 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)cc1[N+](=O)[O-] 510584425 MYGAHVGJZLFPQY-UHFFFAOYSA-N 440.681 4.273 5 20 IIBD CCOc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)c2c[nH]c3ccccc23)cc1OC 512700785 BZNWISAYPDBOQA-SFHVURJKSA-N 448.479 4.373 5 20 IIBD CC(C)Oc1ccc([C@@H](CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)N(C)C)cc1 512918486 PZIVXLZEQJLMNJ-HSZRJFAPSA-N 440.544 4.359 5 20 IIBD COc1cc([C@@H](C)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1OC(C)C 512964218 NMCCNDPBULBDIQ-GFCCVEGCSA-N 428.894 4.084 5 20 IIBD Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1OC(F)F 513326193 NIHGTBYWYRRCMB-QGZVFWFLSA-N 433.411 4.056 5 20 IIBD C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 513837496 BGZQXQLGSBADTI-INIZCTEOSA-N 438.505 4.499 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1Cl 514687214 SFBLIUMAHCQFNJ-UHFFFAOYSA-N 429.904 4.144 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N(C)C[C@@H]2CCCOC2)cc1[N+](=O)[O-] 517407597 YTVNECKNBUACRX-HNNXBMFYSA-N 428.510 4.046 5 20 IIBD Cc1cc(=O)c(C(=O)Nc2cc(C(F)F)ccc2Cl)nn1-c1ccccc1[N+](=O)[O-] 518610919 FSHUGRWWPCXBEK-UHFFFAOYSA-N 434.786 4.292 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] 519119837 NYCVWJWBGDQDEE-INIZCTEOSA-N 431.514 4.027 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(Cc1cc(Br)ccc1F)C1CC1 521157316 OWSVIILROUPXLE-UHFFFAOYSA-N 443.294 4.158 5 20 IIBD Cc1cc(S(=O)(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)ccc1[N+](=O)[O-] 522360692 MVBGQUZRQHYRKO-UHFFFAOYSA-N 426.454 4.348 5 20 IIBD Cc1cc(S(=O)(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)ccc1[N+](=O)[O-] 522440696 WGGDDYFVCVNELX-UHFFFAOYSA-N 433.389 4.212 5 20 IIBD COc1cc(C(=O)NCCc2nc3ccccc3n2C(C)C)c([N+](=O)[O-])cc1OC(F)F 522871947 YZQBWYJUJZLANM-UHFFFAOYSA-N 448.426 4.108 5 20 IIBD CC(=O)Nc1cccc(Nc2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)s2)c1 524689671 XIIAXFCIKBOAKW-UHFFFAOYSA-N 429.483 4.123 5 20 IIBD Cc1cc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)ccc1NC(=O)CC(C)C 525649415 NPTBZHBEUAEUOH-UHFFFAOYSA-N 427.457 4.301 5 20 IIBD COc1ccc(CSCC(=O)N[C@H](C)Cc2nc3ccccc3s2)cc1[N+](=O)[O-] 532184847 JJSUNCFGHXWNHX-CYBMUJFWSA-N 431.539 4.194 5 20 IIBD O=C(CN(CCCO)Cc1ccc(Cl)c(Cl)c1)Nc1ccc([N+](=O)[O-])cc1Cl 533417034 OUOSRBNUPCCPCK-UHFFFAOYSA-N 446.718 4.378 5 20 IIBD O=C(NCCc1ccccc1)c1ccc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cc1 534231168 UWOJNLLQXQQUHJ-UHFFFAOYSA-N 428.448 4.301 5 20 IIBD CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1cc2c(cc1OC(F)F)OCO2 535568170 ZFUOOJOOKDPAQY-UHFFFAOYSA-N 433.367 4.212 5 20 IIBD COc1cc([C@H](C)NCc2ccc(C(N)=O)cc2[N+](=O)[O-])ccc1OCc1ccccc1 537053843 GERMOSHRQFEZBA-INIZCTEOSA-N 435.480 4.132 5 20 IIBD C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 537525236 QTQMYXHTJLBLOK-JTQLQIEISA-N 445.394 4.452 5 20 IIBD COc1ccc(-c2nc(NC(=O)CN[C@H](C)c3cccc([N+](=O)[O-])c3)sc2C)cc1 538178326 AGLGJQOEADDAJM-CYBMUJFWSA-N 426.498 4.325 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)CC2CCCCC2)CC1 538191145 MELBJRDEYKAJRF-UHFFFAOYSA-N 433.574 4.350 5 20 IIBD COc1ccc(CNCc2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1[N+](=O)[O-] 540591882 OFZZMVGPNSZTBK-UHFFFAOYSA-N 426.498 4.343 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCC(OC[C@H]2CCOC2)CC1 541447006 MAFNVJHNLNVZKM-KRWDZBQOSA-N 441.484 4.437 5 20 IIBD C[C@@H](C(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)c1ccc([N+](=O)[O-])cc1F 542537583 GXWCQMYLEGLOKV-CYBMUJFWSA-N 446.431 4.448 5 20 IIBD CC[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc(F)cc(Br)c1 542679348 RSZQRENWQXTQRD-KRWDZBQOSA-N 445.310 4.011 5 20 IIBD CC(=O)NC1CCC(N(C)C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)CC1 543217549 YQCDFADGUFYTPE-UHFFFAOYSA-N 448.570 4.030 5 20 IIBD CC[C@@H](N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1nc(C(F)(F)F)cs1 543495428 AUWISTXHAFNRKD-GXSJLCMTSA-N 432.424 4.147 5 20 IIBD O=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 544017027 SJISLAZWCLIGRP-UHFFFAOYSA-N 442.357 4.237 5 20 IIBD C[C@@H](C(=O)N1C[C@@H](CC(=O)N(C)C)c2cc(Cl)ccc21)c1ccc([N+](=O)[O-])cc1F 544399997 FUIDLMORRLBESX-CHWSQXEVSA-N 433.867 4.100 5 20 IIBD O=[N+]([O-])c1cccc(/C=C\c2nc(CS(=O)(=O)c3cc(Cl)ccc3Cl)no2)c1 546237269 UZHSMIDEDVPYLG-DAXSKMNVSA-N 440.264 4.429 5 20 IIBD CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 556522136 XHAOCGVBEHHDRW-QGZVFWFLSA-N 448.317 4.084 5 20 IIBD COC(=O)c1ccc(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(Br)c1 556619762 WGINPZLSYJPITN-UHFFFAOYSA-N 447.207 4.453 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cccc(-c3nc(O)n[nH]3)c2)cc1 557085624 QCJZUGIKVRRARB-UHFFFAOYSA-N 447.407 4.139 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H](CCO)c1ccc(Cl)c(Cl)c1 557599833 WQZMKFOKBZRFCP-GOSISDBHSA-N 426.300 4.334 5 20 IIBD Cn1ccnc1[C@H](NCCc1cnc(SC2CCCC2)nc1)c1cccc([N+](=O)[O-])c1 559911380 KJAXYZLVGMSVSU-HXUWFJFHSA-N 438.557 4.075 5 20 IIBD CC(C)N(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H](C(=O)O)c1ccc(Br)cc1 562407460 YVBMEVMDTLTWOH-MRXNPFEDSA-N 436.262 4.426 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3cccnc3OCC(F)F)n2)c(Br)c1 564755233 KHPAWIZFBYGNDQ-UHFFFAOYSA-N 441.188 4.037 5 20 IIBD COc1ccc(CNC(=O)N[C@@H](C)c2ccc(Br)cc2F)cc1[N+](=O)[O-] 565923410 OZTHXLLCIGDMMG-JTQLQIEISA-N 426.242 4.065 5 20 IIBD C[C@@H](C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1)c1cccc([N+](=O)[O-])c1 569873685 OWTPKPDBPQUHAD-HUUCEWRRSA-N 432.318 4.104 5 20 IIBD C[C@@H]1CCc2c(sc3nc([C@@H](C)N4CCOc5ccc([N+](=O)[O-])cc5C4)nc(O)c23)C1 574203099 MVJMRWFUDDREOH-CHWSQXEVSA-N 440.525 4.386 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N2CCC(c3cccc(F)c3F)CC2)c([N+](=O)[O-])c1 582700402 VKFJMXIWTMVPND-UHFFFAOYSA-N 426.423 4.222 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1(c2noc(C(F)(F)F)n2)CCCC1 588837525 MJVALUGKIJZJMC-SNVBAGLBSA-N 430.408 4.063 5 20 IIBD CCOc1cc(CN2CCC3(CCC3)CC2)ccc1OCCn1c([N+](=O)[O-])cnc1C 589188158 AWCWJCAXHPGCNM-UHFFFAOYSA-N 428.533 4.344 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@H]3c3ccc(O)cc3)n2C[C@H]2CCCCO2)c1 589678431 UUGJMOOUBMWGHZ-YADHBBJMSA-N 449.511 4.470 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1nnn(-c2cccc(Br)c2)c1C 603949898 WGPBQIBULUAECM-UHFFFAOYSA-N 430.262 4.116 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C)NC(=O)c1ccc(C(C)(C)C)cc1 604369088 GQDPBOMCMLAHII-KRWDZBQOSA-N 425.529 4.448 5 20 IIBD CC[C@@H](C)n1c(SCC(=O)NCc2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1 604548322 MCMUAHCQBAZYJU-OAHLLOKOSA-N 425.514 4.233 5 20 IIBD CN(C(=O)c1ccc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cc1Cl)C1CCCCC1 608804943 OFHCOMZPLDGWSI-UHFFFAOYSA-N 447.923 4.223 5 20 IIBD Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 609141518 ALGAEOJIOOTRGD-UHFFFAOYSA-N 432.358 4.457 5 20 IIBD O=C(N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C1(c2cccc(F)c2)CC1 609640412 HIKZSIMTCUBOMZ-UHFFFAOYSA-N 437.393 4.133 5 20 IIBD CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NCc1ccc([N+](=O)[O-])cc1 609993639 VNURGRYASKNILJ-UHFFFAOYSA-N 434.562 4.084 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1ccnc(OCC(F)(F)F)c1 610169709 ZHSQHLQJZJEDSO-UHFFFAOYSA-N 445.353 4.414 5 20 IIBD O=C(NCCc1ccc(C(F)(F)F)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 610345811 VFSFPCRITNRRRK-UHFFFAOYSA-N 437.418 4.409 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@H](CO)[C@H](C)c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 611304099 VXQOQZKXSZKWEA-HYFFOGBASA-N 434.496 4.057 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)Nc3ccc(-n4cncn4)cn3)cc2[N+](=O)[O-])cc1 616634348 OKLDZGXFLGZHIO-UHFFFAOYSA-N 432.465 4.282 5 20 IIBD C[C@H]1CCc2ccccc2N1C(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Br 725985442 JMLKGRDGVZUMNG-QWHCGFSZSA-N 447.285 4.271 5 20 IIBD CC(C)(C)OC(=O)N1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c2ccccc2C1 728030254 COXSEKXYVAOSKT-UHFFFAOYSA-N 436.468 4.474 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2ccccc2SC)cc1SC 728651264 RJHGISOWPBINCN-NSHDSACASA-N 436.511 4.231 5 20 IIBD CC(C)Sc1ccc(Cl)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 729665948 NFQIPOGYFFIAPV-UHFFFAOYSA-N 431.879 4.458 5 20 IIBD Cc1oc(-c2cccs2)nc1C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730709299 UTLDUNVDWMHDOT-CQSZACIVSA-N 441.465 4.081 5 20 IIBD Cc1nn(C(C)C)c(C)c1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1Cc1ccccc1 734492225 BRZUQTWAGDDGHJ-UHFFFAOYSA-N 429.498 4.348 5 20 IIBD O=C(Cc1csc(NC(=O)c2ccccc2F)n1)OCc1cc([N+](=O)[O-])ccc1Cl 734780999 NOQUFEIYNFIOAC-UHFFFAOYSA-N 449.847 4.382 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccc(Br)cc1F 735012153 KEEBNWQAZXKCKA-UHFFFAOYSA-N 431.645 4.235 5 20 IIBD COc1ccc([C@H]2[C@H](COC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CCC(=O)N2C)cc1 735786405 XKPLBQGVRKUXHE-NYHFZMIOSA-N 438.436 4.116 5 20 IIBD CCO[C@@H](C)c1nc(CN2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cs1 736620857 XXIJHGJNSWCXQM-ZDUSSCGKSA-N 444.479 4.490 5 20 IIBD CN(C)CC1CCN(c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)cc2)CC1 737679132 QQCSBOIQAKFUCG-UHFFFAOYSA-N 430.936 4.207 5 20 IIBD NC(=O)c1ccc(COC(=O)[C@@H](Oc2ccc(Cl)cc2)c2ccccc2)c([N+](=O)[O-])c1 744587388 QIPVMFQBJYUIPP-FQEVSTJZSA-N 440.839 4.211 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)OCc2ncc(-c3ccccc3Br)o2)c1 744867379 VOCAXLKRXJNHHI-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD CCCN(Cc1ccccc1Br)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 746043269 UAZYWTZZMAAVCW-UHFFFAOYSA-N 430.306 4.486 5 20 IIBD CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)OCc1cc(Cl)ccc1[N+](=O)[O-] 746059019 JYQIZZDMJWIVAG-KRWDZBQOSA-N 436.917 4.152 5 20 IIBD Cc1c(C(=O)N[C@@H](C)c2nc3ccccc3n2C(F)F)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748616818 APEHCUYSXNWNAJ-NSHDSACASA-N 433.371 4.356 5 20 IIBD CCO[C@H]1C[C@H](OC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C1(CC)CC 749095534 VFQQWKKYSFEOBD-IRXDYDNUSA-N 434.518 4.015 5 20 IIBD COc1cc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cc(OC)c1OC 749410247 KTHVWPLVSKITNY-UHFFFAOYSA-N 445.653 4.289 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)O[C@@H]1CCN(c2cccc(Cl)c2)C1=O 750326104 ZPRGONVUHIDDNG-JOCHJYFZSA-N 446.890 4.157 5 20 IIBD CN(Cc1ccccc1-c1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 751191498 OEDTTZPQKOUDDI-UHFFFAOYSA-N 431.492 4.371 5 20 IIBD O=C(COC(=O)c1c(F)ccc([N+](=O)[O-])c1F)N[C@H](c1ccc(F)cc1)C1CCCC1 752561823 LERRHWDKNCXMSX-FQEVSTJZSA-N 436.386 4.217 5 20 IIBD Cc1ccc(Cc2nnc(NC(=O)c3cccc([N+](=O)[O-])c3Br)s2)cc1 753819189 YYIWKRGHBSKQEH-UHFFFAOYSA-N 433.287 4.360 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)OCC(=O)N[C@@H](c1ccc(C)cc1)c1cccs1 755675254 RGPVRMMSDHXWOD-NRFANRHFSA-N 440.477 4.036 5 20 IIBD COc1ccc(NC(=O)[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2OC)c2ccccc2)cc1 755677025 GJIDIIFCXKKDRK-OAQYLSRUSA-N 436.420 4.149 5 20 IIBD C[C@@H](OC(=O)Cc1ccccc1NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] 756466812 NHIUHVSQSUULAH-CQSZACIVSA-N 443.456 4.055 5 20 IIBD CC1CCN(C(=O)c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2Br)CC1 758118386 KISYWIMJFKXZAM-UHFFFAOYSA-N 446.301 4.482 5 20 IIBD C[C@H](c1ccc(Cl)cc1)N(C)C(=O)COC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 758730536 IMRNGMRHYGCVDY-CYBMUJFWSA-N 429.860 4.035 5 20 IIBD Cc1nnc(-c2cccc(C(=O)N(Cc3nnc(-c4cccc([N+](=O)[O-])c4)o3)C(C)C)c2)o1 759055125 JQLZKGRYNDWOGA-UHFFFAOYSA-N 448.439 4.054 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(CC(=O)O[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 759939146 LRGHRNKRQPJHCE-MSOLQXFVSA-N 444.488 4.408 5 20 IIBD C[C@@H](C[C@@H]1CCOC1)NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 759964592 IRTNQSDOUURBCV-KBPBESRZSA-N 431.876 4.045 5 20 IIBD Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 760072353 QPHGZNVPAWWWCK-QGZVFWFLSA-N 444.923 4.123 5 20 IIBD C[C@@H](OC(=O)c1ccc(Cl)cc1Br)C(=O)Nc1ccc([N+](=O)[O-])cc1 761281484 GJPHBNOSUXHWJO-SECBINFHSA-N 427.638 4.195 5 20 IIBD CC(C)[C@@H](NC(=O)OC(C)(C)C)c1noc(-c2ccn(-c3ccccc3[N+](=O)[O-])n2)n1 762020847 BPEWKNGJLJHVSD-MRXNPFEDSA-N 428.449 4.052 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2coc(C)n2)cc1 762461694 FIERMHGRWHNGMW-UHFFFAOYSA-N 441.465 4.466 5 20 IIBD COc1cc(COC(=O)[C@H](C)Oc2ccccc2Br)c([N+](=O)[O-])cc1F 766202492 NZXAJENHTMSWCO-JTQLQIEISA-N 428.210 4.016 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 768275028 ZONNJCAAAVDUBI-CYBMUJFWSA-N 449.504 4.024 5 20 IIBD CCN(C(=O)Cc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1)c1ccccc1 768882966 RPNHUBDXBUVTFT-UHFFFAOYSA-N 445.522 4.053 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)cs1 768883104 VBDSVICGBHSLLI-UHFFFAOYSA-N 434.933 4.113 5 20 IIBD C[C@@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 769082707 ADTIHNWIENZMRE-SJLPKXTDSA-N 446.548 4.304 5 20 IIBD CC[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H](O)c1c(F)cccc1F 771700901 FPBZBAVZELDLJH-QAPCUYQASA-N 433.436 4.239 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H](O)c2c(Cl)cccc2Cl)cc1OC 771719892 OYGZOXIYRWNQBH-YPMLDQLKSA-N 443.283 4.161 5 20 IIBD Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 773961582 HGMOWVZMUVZTMT-AWEZNQCLSA-N 429.782 4.305 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)Nc1ccc(N(C)C)cc1 775091756 VPLUNXPDSQLLON-AWEZNQCLSA-N 431.514 4.345 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCCO2)cs1 777661622 STPYZHLRFSKMBL-LBPRGKRZSA-N 432.907 4.058 5 20 IIBD Cc1nnc(SCC(=O)OCc2ccc([N+](=O)[O-])cc2Cl)n1Cc1ccccc1 778333534 ASZHLQDJDPNYEK-UHFFFAOYSA-N 432.889 4.032 5 20 IIBD Cc1cc(N2C[C@H](C(=O)O[C@H](c3cccnc3)c3ccccc3[N+](=O)[O-])CC2=O)ccc1F 780033101 RONWYXPVPFZCOA-UZUQRXQVSA-N 449.438 4.123 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@](O)(c1ccccc1)C(F)(F)F 780463148 BHCZSDOQWIEHLD-GOSISDBHSA-N 428.432 4.277 5 20 IIBD CC[C@@H]1C[C@@H](CC(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 781781844 RTXUJNFRCKMODN-SGMGOOAPSA-N 432.395 4.079 5 20 IIBD CC[C@](C)(O)CN(Cc1ccccc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br 784741840 GUDPCMKUZBITPU-IBGZPJMESA-N 439.281 4.300 5 20 IIBD Cc1c(C(=O)NCc2ccnc(Oc3ccccc3F)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 786010511 GFCMJOONDLUEIR-UHFFFAOYSA-N 440.387 4.376 5 20 IIBD C[C@H]1[C@@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)CCN1C(=O)OC(C)(C)C 786615875 WEFVRFMEWURBMD-ZFWWWQNUSA-N 445.438 4.131 5 20 IIBD CC(=O)Nc1ccc(Cl)c(C(=O)O[C@@H]2CCCN(c3ccc(F)cc3[N+](=O)[O-])C2)c1 787025402 KFNUNMLOXADYBG-OAHLLOKOSA-N 435.839 4.172 5 20 IIBD O=C(Nc1cc(Br)cnc1Cl)C1CCN(c2ccccc2[N+](=O)[O-])CC1 787950791 CCCMTTWZQISXAX-UHFFFAOYSA-N 439.697 4.261 5 20 IIBD CC(C)(C)OC(=O)NCc1cccc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)c1 787998740 MOGPICGKGTZFTQ-UHFFFAOYSA-N 437.456 4.262 5 20 IIBD O=C(Oc1ccc(Oc2ncc(Br)cn2)cc1)c1cc(F)cc([N+](=O)[O-])c1 789730945 UGYATTPTJXGAIW-UHFFFAOYSA-N 434.177 4.298 5 20 IIBD CN(Cc1cc(Br)ccc1F)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790523570 SOGLJNKGXZAGMF-UHFFFAOYSA-N 433.636 4.490 5 20 IIBD CCOCCCn1c(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])nc2ccccc21 790639738 GCKBHBRMVZFHSA-UHFFFAOYSA-N 434.855 4.345 5 20 IIBD Cc1c(CC(=O)N2CCC3(CC2)CCN(C(=O)OC(C)(C)C)CC3)cccc1[N+](=O)[O-] 791038831 PLBDOIHJJIMABK-UHFFFAOYSA-N 431.533 4.085 5 20 IIBD Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cccc1NC(=O)N(C)C 791910535 KBFUVZFNESUKNL-UHFFFAOYSA-N 425.489 4.239 5 20 IIBD Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 792282300 QWUAYFNMXSKYOM-GOSISDBHSA-N 445.428 4.121 5 20 IIBD CC(C)(C)OC(=O)Cc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F 795325447 AFQNDTWXWHOJAF-UHFFFAOYSA-N 444.868 4.072 5 20 IIBD CC(C)(C)[S@@](=O)Cc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c1 795325870 QAWBZOCVHMFVBZ-MHZLTWQESA-N 448.925 4.235 5 20 IIBD C[C@@H]1CN(c2ccc(NC(=O)N(C)CCc3ccccc3[N+](=O)[O-])cc2F)C[C@@H](C)O1 796586519 BSUZCOJWXPOWHD-HZPDHXFCSA-N 430.480 4.054 5 20 IIBD COc1cc(NC(=O)c2ccc(I)c([N+](=O)[O-])c2)c(C)cc1C 797357313 FCGJFYDXKSYKIM-UHFFFAOYSA-N 426.210 4.077 5 20 IIBD COc1ccc([C@H]2CCCN2C(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2O)cc1 798155387 LKZNPCIMYOUBOS-MRXNPFEDSA-N 442.859 4.125 5 20 IIBD CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN([C@H](C)c2nc(-c3ccc(C)cc3)no2)CC1 804343278 ZXQSQPMMXZOHPB-MRXNPFEDSA-N 435.484 4.039 5 20 IIBD COC(=O)c1cnc(NCc2cccc3c2CCCN3C(=O)OC(C)(C)C)c([N+](=O)[O-])c1 808099602 BUIOKZARZABXEW-UHFFFAOYSA-N 442.472 4.076 5 20 IIBD CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811217710 XREUFTXKHMCSIN-QGZVFWFLSA-N 431.514 4.189 5 20 IIBD CC(C)(CCc1noc([C@@H]2CCCCN2C(=O)/C=C\c2ccc(Cl)cc2)n1)[N+](=O)[O-] 812812935 YXZODZSOVZXBBS-NLZINVLXSA-N 432.908 4.478 5 20 IIBD Cc1cc(Cl)c(C(=O)OCC(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] 815407073 GOHDUJOEBOKJGO-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cc(Cl)c(F)cc1Cl 815503936 FNSCMYZGACYZDZ-QMMMGPOBSA-N 431.203 4.233 5 20 IIBD C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](OC(=O)CSc2ccc([N+](=O)[O-])cc2)C1=O 816404830 CRWMAVISIRIUAN-IFXJQAMLSA-N 432.473 4.121 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC12CCC2 816856560 JOVQZAHRYTZLAL-KRWDZBQOSA-N 431.533 4.311 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)COc1ccc(F)c(Cl)c1 911578177 JWWCXORNXQMPMA-UHFFFAOYSA-N 448.838 4.253 5 20 IIBD CCOc1ccc(C(=O)Nc2cccc(CN(CC)C(=O)C(F)(F)F)c2)cc1[N+](=O)[O-] 915160532 MWTYYCGWVHWDQN-UHFFFAOYSA-N 439.390 4.157 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2ccc(Cl)cc2)c(S(=O)(=O)N2CCCC2)c1 917053545 CRTBKKQOIDALGE-GOSISDBHSA-N 435.933 4.374 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)c1ccccc1SCc1cccs1 917445386 BOYBWAPKOGALEJ-UHFFFAOYSA-N 448.547 4.376 5 20 IIBD CCc1nc2c(s1)[C@H](N(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1N)CCC2 1116950287 WEBZBAYRUMGVLG-GFCCVEGCSA-N 439.335 4.108 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(-c3cc4c(s3)CCCCC4)o2)c1N1CCOCC1 1261427767 LZYLINIXOJLSKC-UHFFFAOYSA-N 426.498 4.479 5 20 IIBD O=C(COC(=O)c1ccc(Cn2cccc2)cc1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1321566255 OFMMNOZIIRCBKZ-UHFFFAOYSA-N 447.369 4.259 5 20 IIBD O=C1CC[C@]2(c3ccc(F)cc3)SC[C@@H](c3nnc(-c4cccc([N+](=O)[O-])c4)o3)N12 1325763441 UYRSXUOIHYUNMR-OXJNMPFZSA-N 426.429 4.047 5 20 IIBD COc1ccc(-n2cnnc2SCc2nc(-c3cc(C)c([N+](=O)[O-])cc3C)no2)cc1 1342548728 FGQHHUAHAFBLHV-UHFFFAOYSA-N 438.469 4.143 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H]1c1nc(C23CC4CC(CC(C4)C2)C3)no1 1350672001 CIEZQMVGOXPNOP-MJOKBVDLSA-N 428.514 4.484 5 20 IIBD Cc1ccn(C)c1C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])o3)cc2)CCC1 1786207744 LJGJNFWPEJSCAE-CSKARUKUSA-N 448.479 4.296 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cc([N+](=O)[O-])c(O)cc4C)CCC3)cc2)c[nH]1 1788818115 NKBJUPZYZYHXHW-UHFFFAOYSA-N 448.479 4.307 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C2(NC(=O)C3(C)CC3)CCC2)cc1 1790791529 HKYHSYASQLELJD-UHFFFAOYSA-N 436.512 4.209 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)Nc1ccc(C2(NC(=O)C3(F)CCC3)CCC2)cc1 1790808305 ZMWYVBZTKZGRTE-UHFFFAOYSA-N 441.459 4.249 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/C1CCCCC1)c1ccc([N+](=O)[O-])cc1F 1800123303 XDTIDVSNPCBCOH-SJXSPGMASA-N 429.492 4.122 5 20 IIBD Cc1ccc(F)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c(F)ccc([N+](=O)[O-])c2C)C3)c1 1800434462 APZLLVBFWOZSEN-MUJYYYPQSA-N 443.450 4.055 5 20 IIBD CC(C)(C)C(=O)N1CCCC2(CCN(C(=O)Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)C1 1809127449 PPCDKUNEHFZBCI-UHFFFAOYSA-N 435.952 4.068 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])[nH]n1)C1=CCCC1 1816703397 WPVMDIJFRRVUPH-SJFMBGHLSA-N 435.484 4.134 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCC([C@@H]2CCCCN2C(=O)CCC2CCC2)CC1 1824349419 BYPKMBLPVXIVJZ-MAIVGLDJSA-N 443.544 4.401 5 20 IIBD C/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)CC1 1831334369 KFOFKNBWXRTUKI-MTGFJVSHSA-N 433.936 4.366 5 20 IIBD C[C@H]1CCC[C@H]1C(=O)N1CCCC12CN(C(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 1843968660 GNTRHZHNZCPNPC-WMLDXEAASA-N 427.526 4.063 5 20 IIBD Cc1c(C(=O)N2CCCC23CN(C(=O)C2(F)CCCCC2)C3)cc(Cl)cc1[N+](=O)[O-] 1845499411 QVKUCGWSRPAXCQ-UHFFFAOYSA-N 437.899 4.046 5 20 IIBD CC[C@H](C)NC(=O)COC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 3455366 SNUVJKHOXKPHAJ-LBPRGKRZSA-N 436.848 4.121 5 20 IIBD Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 9718184 IFZLJFSYTDQOCH-UHFFFAOYSA-N 449.341 4.373 5 20 IIBD CC(C)OC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1[N+](=O)[O-] 15363462 MXYMBVLSHXNGGT-HXUWFJFHSA-N 442.493 4.109 5 20 IIBD Cc1cc(CSc2ccccc2C(=O)OCC(=O)Nc2c(C)cccc2[N+](=O)[O-])on1 16542393 VMWHMVGZKOEXTL-UHFFFAOYSA-N 441.465 4.287 5 20 IIBD COc1cc(CN(C)C(=O)c2ccc(OC)c([N+](=O)[O-])c2)ccc1OCc1ccccc1 18134680 ARKJFUSWWRIZFO-UHFFFAOYSA-N 436.464 4.463 5 20 IIBD CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 20013736 UYDYKYKMOKWCDN-UHFFFAOYSA-N 427.501 4.265 5 20 IIBD CCOc1ccc(C(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)cs2)cc1[N+](=O)[O-] 21903684 RRZCJSKKEAYVFW-UHFFFAOYSA-N 446.510 4.067 5 20 IIBD CC[C@H](C)NC(=O)CN(c1ccc([C@@H](C)CC)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 22353056 YLACUAZRYQPGGA-IRXDYDNUSA-N 447.557 4.218 5 20 IIBD Cc1nc(-c2cccc(NC(=O)COC(=O)c3cc(Cl)ccc3[N+](=O)[O-])c2)cs1 24046945 KXPXIWFQNUCYPT-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD Cc1nn(Cc2ccc(C(=O)OCCOc3ccccc3Cl)cc2)c(C)c1[N+](=O)[O-] 26160597 MCVMSTGGKQYLRH-UHFFFAOYSA-N 429.860 4.346 5 20 IIBD C[C@@H]1Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)cc2NC1=O 29994139 XRFDXFGUSXHRQZ-AWEZNQCLSA-N 432.436 4.179 5 20 IIBD C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 32249565 WLAXCGQSZAGKIR-IAGOWNOFSA-N 447.495 4.151 5 20 IIBD O=C(Nc1cccc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1)c1ccccc1 57778177 CVONERNTVNGLJV-UHFFFAOYSA-N 445.479 4.201 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NCc2ccnc(OCc3ccccc3)c2)c([N+](=O)[O-])c1 64113315 AVIBYDRWYYAOBZ-UHFFFAOYSA-N 443.463 4.145 5 20 IIBD CC(C)CCSc1ccc(C(=O)Nc2cccc(-c3noc(=O)[nH]3)c2)cc1[N+](=O)[O-] 110991908 NPPXQCFNPHCMHY-UHFFFAOYSA-N 428.470 4.329 5 20 IIBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1nc(-c2cccc3ccccc23)cs1 115150761 CUUJPEKPFOMVKD-UHFFFAOYSA-N 432.461 4.240 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(c2nc3cc(C(F)(F)F)ccc3s2)CC1 301348451 IAJZOOFPZBUOSE-UHFFFAOYSA-N 442.444 4.247 5 20 IIBD O=C(c1cc(N2CCO[C@@H](c3ccc(F)cc3Cl)C2)ccc1[N+](=O)[O-])N1CCCC1 302444096 RRQJDCMRMFGBML-HXUWFJFHSA-N 433.867 4.201 5 20 IIBD O=C(Nc1ccc(CCN2CCSCC2)cc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 303071639 XPDGKJNZEOQNRN-UHFFFAOYSA-N 426.542 4.013 5 20 IIBD C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1ccc2c(c1)CCCC2 303440654 BXFYVPFFQUXVHP-KSSFIOAISA-N 427.526 4.017 5 20 IIBD C[C@@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1cccc(Cl)c1Cl 303671775 JYGJBJLFJSCJMW-LLVKDONJSA-N 438.267 4.467 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2 409579013 ZSNLAMBNHLEJIA-AWEZNQCLSA-N 445.522 4.133 5 20 IIBD Cc1cc(Oc2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Br)cc2)n[nH]1 426784422 RMTNDYXILJZNCN-UHFFFAOYSA-N 431.246 4.362 5 20 IIBD O=C(Nc1c(-c2ccncc2)nc2ccccn12)c1ccc(Br)cc1[N+](=O)[O-] 430661759 BJLKPEAKRJDISK-UHFFFAOYSA-N 438.241 4.319 5 20 IIBD CCN1CCN(c2ccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)c(C)c2)CC1 431500794 UAGFICWVMWSZPN-UHFFFAOYSA-N 447.333 4.060 5 20 IIBD CC(C)(NC(=O)NCc1ccc(N2CCc3ccccc3C2)nc1)c1ccc([N+](=O)[O-])cc1 431870814 OHPHRGYOWKMBNM-UHFFFAOYSA-N 445.523 4.287 5 20 IIBD Cc1ccc(NC(=O)N(C)CC(=O)NC(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 432457611 BQAQRSWERQRXPA-UHFFFAOYSA-N 432.480 4.273 5 20 IIBD COc1cc(CNC(=O)COc2cc(F)cc([N+](=O)[O-])c2)ccc1OCc1ccccc1 433651562 XHNYIJMIDFHNBA-UHFFFAOYSA-N 440.427 4.017 5 20 IIBD Cn1cc(Br)cc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c1=O 434140300 FLVAWOJFNRXXMH-UHFFFAOYSA-N 443.257 4.052 5 20 IIBD CC(C)CNC(=O)c1ccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 438792152 OXGOHBDPMNLEFD-UHFFFAOYSA-N 446.312 4.088 5 20 IIBD CC(C)c1ccc(C(=O)N2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)cc1[N+](=O)[O-] 438970900 HUSIUDJWISRAST-SFHVURJKSA-N 435.480 4.499 5 20 IIBD C[C@@H]1CC[C@H](CCC(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)O1 439027459 XVLKZWCCZLOTOR-QZTJIDSGSA-N 443.569 4.315 5 20 IIBD O=C(Nc1c(-c2cccnc2)nc2ccccn12)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 440415979 TULCEQMGAQSOOP-UHFFFAOYSA-N 428.452 4.157 5 20 IIBD O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444187234 SSPAEXGXHMYUPY-HNNXBMFYSA-N 435.886 4.483 5 20 IIBD COC(=O)[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccc(Cl)c(F)c1 444282889 BGKIWMDCVGZDLZ-HXUWFJFHSA-N 438.842 4.118 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc(-n2ncc3ccccc32)cc1Cl 444633784 DWVNHXIPNGVCMB-UHFFFAOYSA-N 446.854 4.393 5 20 IIBD Cc1c(Cl)cccc1NC(=O)Cc1noc(-c2cc(O)nc3ccc([N+](=O)[O-])cc23)n1 445330470 AZDKGPCUASXOCR-UHFFFAOYSA-N 439.815 4.042 5 20 IIBD O=C(Cc1noc(/C=C\c2ccc([N+](=O)[O-])cc2)n1)Nc1ccccc1Br 445478462 QVRCSDMMCYPWPF-YFHOEESVSA-N 429.230 4.092 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(F)cc2OC(F)F)c(C(F)(F)F)c1 446995651 YWVWPTHGALKRQG-UHFFFAOYSA-N 430.282 4.155 5 20 IIBD CCOCCOc1cc(C)ccc1CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 447054992 CRXXGLQJKPSXPO-UHFFFAOYSA-N 427.501 4.167 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCc1cccc(CN2CCOCC2)c1 447669378 JFGWXRRMQPNSMI-UHFFFAOYSA-N 446.376 4.088 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H](Oc3ccncc3)C2)cc1 447682788 JXWNUNGFTRCCBI-HXUWFJFHSA-N 435.436 4.084 5 20 IIBD CCn1c(-c2cc(Br)c[nH]2)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 460296234 MNHZYQMVBCMBAU-UHFFFAOYSA-N 431.294 4.133 5 20 IIBD O=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)NCCc1ccccc1[N+](=O)[O-] 460482599 GTBANYLRHLRRKH-UHFFFAOYSA-N 443.459 4.495 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC2(CCC2)[C@H]1[C@H]1CCCO1 461300721 JUNSOPCJDPGTSM-RHSMWYFYSA-N 430.448 4.266 5 20 IIBD CN(Cc1nccn1Cc1ccccc1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 464277250 UXUNZCJQNVIGDH-UHFFFAOYSA-N 433.493 4.235 5 20 IIBD Cc1ccc(-c2nc(CNS(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])co2)cc1 466918795 SIUWVPUSGUJJSF-UHFFFAOYSA-N 442.280 4.344 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)Cc2ccccc2Br)cc1SC 470166937 ZHBZZRCVULQOJH-NSHDSACASA-N 439.331 4.449 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)OC(C)C 471573964 LDUVPKNULFPZKX-RUZDIDTESA-N 444.531 4.446 5 20 IIBD O=C(Nc1ccc(F)cc1-c1nc(C2CC2)no1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 471642877 NMUMFQGKZPCPSM-UHFFFAOYSA-N 434.387 4.099 5 20 IIBD CCN(C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@H](c1ccccc1)c1ccc(F)cc1 472684339 IMCAKVUADPEIMO-OAQYLSRUSA-N 439.418 4.450 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F 473773060 YHBRLZDKRRUMKP-UHFFFAOYSA-N 435.362 4.130 5 20 IIBD COC(=O)COc1ccc(CN[C@H](C)c2cc(F)c(Cl)cc2Cl)cc1[N+](=O)[O-] 474348370 HICHHYPSYRKUBU-SNVBAGLBSA-N 431.247 4.443 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@H](C)c2cc3cccc(F)c3o2)ccc1[N+](=O)[O-] 475795802 YJFVWTXETKMFPH-KUHUBIRLSA-N 439.443 4.271 5 20 IIBD O=[N+]([O-])c1cc(F)cc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCCCO2)c1 475800352 WKTDRQFANDOYEL-INIZCTEOSA-N 444.868 4.136 5 20 IIBD CCOc1cc(N2CCN(C(=O)[C@H]3CCC[C@@H](C(F)(F)F)C3)CC2)ccc1[N+](=O)[O-] 477380440 XYSOWRBWXOXCFQ-LSDHHAIUSA-N 429.439 4.011 5 20 IIBD Cc1nc(C)n(-c2ccccc2NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)n1 478227092 LEKOHCBGJYSZJY-UHFFFAOYSA-N 434.500 4.281 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N(CCCO)Cc1ccccn1 478528342 PWJSNPGUFHWKEL-UHFFFAOYSA-N 441.871 4.460 5 20 IIBD COc1cc(C(=O)NCc2nc(-c3cc4ccccc4o3)cs2)c([N+](=O)[O-])cc1OC 478991772 NNNWJLGQTYHCRP-UHFFFAOYSA-N 439.449 4.412 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)c1C 479164904 SAUXQKYCWGSUTC-UHFFFAOYSA-N 442.881 4.323 5 20 IIBD COc1ccc(-c2ccc(CN[C@@H]3CCN(Cc4ccc(C)cc4)C3=O)o2)c([N+](=O)[O-])c1 480904190 FDUPBHAXCGHCFC-OAQYLSRUSA-N 435.480 4.063 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(C(=O)c2ccccc2)CC1 481200262 NVJYVRGOLKGMPB-UHFFFAOYSA-N 441.553 4.378 5 20 IIBD CCC[C@@H](C)C(=O)NCCNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 482361718 KNKXDOYOYTXKJK-CQSZACIVSA-N 433.892 4.323 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1ccc(-c2ccc(Br)s2)nn1 484578829 ZIVWHKMIVUJMLL-UHFFFAOYSA-N 437.250 4.196 5 20 IIBD Cc1ccccc1COc1cccc(NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c1 484663193 KKFBIQMSCFVADC-UHFFFAOYSA-N 435.436 4.262 5 20 IIBD Cc1cc2n(n1)[C@H](C(F)(F)F)CCN2C(=O)Cn1c2ccccc2c(=O)c2ccccc21 485481560 UTPPDKKURZFNTP-IBGZPJMESA-N 440.425 4.200 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@H]2CCCO[C@H]2c2ccc(C)cc2)c(C)c([N+](=O)[O-])c1 486874386 PMYLMGHVLCXBCQ-PXNSSMCTSA-N 427.457 4.040 5 20 IIBD O=C(NCCNC(=O)c1ccccc1F)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 487248307 WWAHRAXVAMLFFW-UHFFFAOYSA-N 439.468 4.045 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C(=O)N2CCSCC2)c1C 488639352 FLMHUUWWPJTUSL-UHFFFAOYSA-N 445.566 4.457 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](COc1ccccc1F)C(C)(C)C 489040672 WBVGVSBAEXVCRV-JLTOFOAXSA-N 433.480 4.153 5 20 IIBD COc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1OCC(F)(F)F 497392046 PZJQBBMPUHPLOC-UHFFFAOYSA-N 439.390 4.397 5 20 IIBD Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 498154510 YFPZNOFQBQOBRR-BTYIYWSLSA-N 445.566 4.238 5 20 IIBD C[C@H](N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)[C@@H]1CCOC1 500221317 VZHKKPDHCYPVRG-OHNRDTAOSA-N 448.317 4.052 5 20 IIBD C[C@H](N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)[C@@H]1CCOC1 500221320 VZHKKPDHCYPVRG-ZBQZNYHESA-N 448.317 4.052 5 20 IIBD Cc1cccc(NC(=O)COc2ccc(CCNC(=O)c3cc([N+](=O)[O-])ccc3C)cc2)c1 502488539 PHPDYWJRPVGZNL-UHFFFAOYSA-N 447.491 4.202 5 20 IIBD CC(=O)NCCN(Cc1ccc(Br)s1)Cc1c(Cl)cccc1[N+](=O)[O-] 503240137 IKWGAQUTLZADDY-UHFFFAOYSA-N 446.754 4.211 5 20 IIBD O=C(NCCc1nc(-c2cccc(Oc3ccccc3)c2)no1)c1ccc([N+](=O)[O-])cc1 504604468 FAGSVWRNIMESPN-UHFFFAOYSA-N 430.420 4.410 5 20 IIBD COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)COc1cccc([N+](=O)[O-])c1 504856794 HXVXEGMHBCQWCS-KRWDZBQOSA-N 435.274 4.108 5 20 IIBD CCOc1ccc([C@@H](C)N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)cc1[N+](=O)[O-] 504893206 CXFNGXKTYIDWAS-SJORKVTESA-N 430.524 4.296 5 20 IIBD O=[N+]([O-])c1cc(F)c(CSc2nnc(-c3cccnc3)n2Cc2ccco2)c(F)c1 505439072 UTTZRLOTCJWPAF-UHFFFAOYSA-N 429.408 4.460 5 20 IIBD CC(=O)Nc1cc(F)c(F)cc1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 506540465 JVSUVAIPTGQOBA-UHFFFAOYSA-N 446.332 4.291 5 20 IIBD CCCCc1c(C)nc2nc(Sc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)nn2c1C 506872961 GQLMNNDHBXDIAI-UHFFFAOYSA-N 426.502 4.028 5 20 IIBD COc1cc(C)c([C@@H](C)NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1OC 510855641 YNHBJUCFZCAOCM-LLVKDONJSA-N 425.388 4.405 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H](C[C@@H]1CCOC1)c1ccccc1 512207793 WAQKYGXASHXXOM-WMZHIEFXSA-N 426.516 4.439 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc([C@@H](c3ccc(Cl)cc3Cl)N3CCOCC3)n2)cc1 515091662 NKUYQNAPUMODEJ-QGZVFWFLSA-N 435.267 4.373 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C)c1ccc(Br)cc1F 515474485 OWTCPGZUXRFAOO-SNVBAGLBSA-N 426.242 4.065 5 20 IIBD CSCC[C@H](NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C(=O)N(C)C 517259799 QQCNTDYGTCOFHI-INIZCTEOSA-N 437.949 4.340 5 20 IIBD C[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1cccc(S(=O)(=O)N(C)C)c1 518783385 KKHRYILBMZNOQJ-OAHLLOKOSA-N 445.566 4.424 5 20 IIBD CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 521602274 YLEGJSAYJQHIAU-UHFFFAOYSA-N 435.459 4.170 5 20 IIBD O=C(Cc1ccccc1)Nc1cc(N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)ccc1F 521839328 UFPJJASOWGKKLD-OAQYLSRUSA-N 448.454 4.133 5 20 IIBD O=C(Nc1nc2ccccc2nc1N1CCCC1)c1ccc([N+](=O)[O-])cc1Br 523500416 XZXVCCOEAKSQDX-UHFFFAOYSA-N 442.273 4.153 5 20 IIBD CC(C)N(Cc1ncc(-c2ccc3c(c2)OCO3)[nH]1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 534985109 IDPQXZNKIOJDOG-UHFFFAOYSA-N 447.451 4.246 5 20 IIBD COc1ccc(-c2ccc(CN3CCC(OC[C@@H]4CCCCO4)CC3)o2)c([N+](=O)[O-])c1 536664699 GKKLIVOWFXMKPB-FQEVSTJZSA-N 430.501 4.414 5 20 IIBD O=C(Nc1ccnc(OCC(F)(F)F)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 537381689 KLMIXZFNNXFBQY-UHFFFAOYSA-N 440.378 4.006 5 20 IIBD C[C@@H](Oc1ccccc1Br)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 537592050 QDFZSJKNUWFBEP-LLVKDONJSA-N 427.682 4.137 5 20 IIBD O=C(NCc1cccc(COCc2ccco2)c1)c1cc([N+](=O)[O-])ccc1OC(F)F 539805440 BPGMAXXDLYHGMR-UHFFFAOYSA-N 432.379 4.436 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCCc3nc(-c4ccccc4)sc32)cc1 541740787 QTPVSJFKPLXQSX-GOSISDBHSA-N 443.550 4.159 5 20 IIBD CCN(CC(=O)Nc1c(C)cccc1C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 544048762 SUHODWYSAXARFX-UHFFFAOYSA-N 435.933 4.444 5 20 IIBD CN1CCCN(c2ccc(-c3noc(-c4ccc(C(C)(C)C)c([N+](=O)[O-])c4)n3)cn2)CC1 544346610 XKIKQKQQMRSWFX-UHFFFAOYSA-N 436.516 4.146 5 20 IIBD O=[N+]([O-])c1ccc(-n2cc(-c3nc(Cc4ccc(F)c(Br)c4)no3)cn2)cc1 544409464 VJHUKSSUGVSQCU-UHFFFAOYSA-N 444.220 4.323 5 20 IIBD CCCc1c(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cnn1-c1cc(C)ccn1 544871021 HEOKBAUDYLZRNY-UHFFFAOYSA-N 444.289 4.451 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CSCc3ccco3)no2)c(I)c1 544920814 QQZUDARKCRGYPZ-UHFFFAOYSA-N 443.222 4.276 5 20 IIBD COc1ccc(CCc2nc(Cc3cccc([N+](=O)[O-])c3C)no2)cc1Br 545077039 UEQIBQFXEXTDRI-UHFFFAOYSA-N 432.274 4.433 5 20 IIBD Cn1c(SCc2cc(-c3ccc(Cl)cc3)no2)nc2cc([N+](=O)[O-])ccc2c1=O 545820242 SJKAJDQOOVNYGK-UHFFFAOYSA-N 428.857 4.442 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1)c1cc2c(cc1[N+](=O)[O-])OCO2 547967603 BHUFQCNRDSAXNZ-ZDUSSCGKSA-N 434.832 4.177 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1 550264945 SFIHXYJFFIJFCV-ZDUSSCGKSA-N 444.289 4.080 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H]1c2ccccc2CC12CCOCC2 554977058 KEQBGIXHDWDXRD-SFHVURJKSA-N 433.411 4.412 5 20 IIBD C[C@@]1(c2ccccc2)CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCOC2)C1 559241752 UPVVVKFLCQEBFN-KBMIEXCESA-N 447.539 4.448 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 563782416 VAOOILFWSFUUGY-UIFIKXQLSA-N 433.512 4.160 5 20 IIBD CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](c2cccc(F)c2)C1 563977420 GESDMTXKOXTSEV-IBGZPJMESA-N 439.491 4.413 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(CC(F)(F)F)cs1 569029420 RZHIDSZTKGIRPG-UHFFFAOYSA-N 449.432 4.064 5 20 IIBD CNC(=O)c1cc(Oc2ccc(NC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)cc2F)ccn1 570950323 ZMTBDODHIAIFPP-CYBMUJFWSA-N 438.415 4.023 5 20 IIBD COc1cc(-c2noc([C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)ccc1F 572522931 SWRUJHCMDRTOCH-QGZVFWFLSA-N 426.404 4.078 5 20 IIBD O=C(CCc1nc(-c2cccs2)no1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 603614342 ICAVUPWDDRDXNQ-UHFFFAOYSA-N 440.403 4.230 5 20 IIBD CCOc1cc2c(cc1CNc1ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c1)O[C@@H](C)C2 603943591 WLDRZIVVGXGSFE-HNNXBMFYSA-N 425.485 4.165 5 20 IIBD O=C(Nc1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)cc1Cl)c1ccco1 604196940 BTCKYAVMTGYCJZ-UHFFFAOYSA-N 425.788 4.222 5 20 IIBD COc1cc(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCc1ccccc1 604532200 JEHKKOOLJUGTJY-UHFFFAOYSA-N 436.464 4.243 5 20 IIBD CCCCOc1cccc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 608804720 XKYRSSZRXWHZGD-QFIPXVFZSA-N 439.512 4.003 5 20 IIBD O=C(NC[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1)Nc1cccc(F)c1 608866576 ZJDYFEIENPOZDC-ZDUSSCGKSA-N 434.855 4.061 5 20 IIBD CC(=O)N[C@H](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1c(F)cccc1F 608931509 UXXQHURLSUJFGE-MRXNPFEDSA-N 446.435 4.203 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1cc(C(F)(F)F)ccc1F 609062432 LDEHDDYKQXAMAL-UHFFFAOYSA-N 427.310 4.080 5 20 IIBD COc1cc(OCC(=O)N2CCCc3cc(Br)cc(C)c32)ccc1[N+](=O)[O-] 609102241 HKXAGDPQHIUGSV-UHFFFAOYSA-N 435.274 4.033 5 20 IIBD O=C(CCN1CCc2[nH]c3c(Br)cccc3c2C1)Nc1ccccc1[N+](=O)[O-] 609197383 RUIIQQCFFUJEML-UHFFFAOYSA-N 443.301 4.226 5 20 IIBD Cc1cc(CN2CCN(C(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)CC2)no1 609781015 KGVBXGCQIWRATL-UHFFFAOYSA-N 437.456 4.033 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(Cc3cccc(OC)c3)CC2)cc1OC 612217906 FNONVYAGLTURGK-UHFFFAOYSA-N 428.485 4.106 5 20 IIBD O=C(c1ccc(O)cc1)C1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 613182163 NGNLEXQICZNJLR-UHFFFAOYSA-N 433.464 4.374 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(Oc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)cc2N1 725785158 WXKZQTXCZVGOGG-UHFFFAOYSA-N 448.391 4.432 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)OCc2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] 726676659 VJVWTKSKQQYJQV-SFHVURJKSA-N 436.386 4.270 5 20 IIBD O=C(NCc1ccncc1)Nc1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 727745689 GDGUIDJZPXBBFJ-UHFFFAOYSA-N 425.832 4.217 5 20 IIBD CC(C)c1cccc(O[C@@H](C)C(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 729192013 DNTPUXJPJBTOLF-KRWDZBQOSA-N 427.501 4.340 5 20 IIBD O=C(CCC(=O)c1ccc(Cl)cc1)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730706341 YVBZFRHHBPGDKR-QGZVFWFLSA-N 444.871 4.059 5 20 IIBD O=C(CSc1cccc2cccc(Cl)c12)NS(=O)(=O)c1cc([N+](=O)[O-])cs1 732620308 MXTAYIWYOWNYHD-UHFFFAOYSA-N 442.927 4.060 5 20 IIBD CCN(CC)C(=O)[C@@H](Cc1ccccc1)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 733322725 SAONMIDPLBFYDB-OAQYLSRUSA-N 438.553 4.288 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])s1)Nc1cccc(CSc2ccccn2)c1 733381177 YMQHBMUIDOTWTR-UHFFFAOYSA-N 429.479 4.139 5 20 IIBD COC(=O)[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Br)c1cccc(Cl)c1 733824185 LSVSSDJWXGBZRM-CQSZACIVSA-N 428.622 4.082 5 20 IIBD O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccccc1SC(F)(F)F 735341460 VTXDFLDGJWDLNU-UHFFFAOYSA-N 442.371 4.362 5 20 IIBD Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 735444316 ZKWDKEJPXPGVIK-UHFFFAOYSA-N 449.467 4.133 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)C 735791589 TYZBKTSQCCNUAJ-SFHVURJKSA-N 443.887 4.327 5 20 IIBD O=C(CCn1cc([N+](=O)[O-])cn1)O[C@H](c1ccccc1)c1ccccc1Br 735803233 XWLYRSMCOKPRCX-LJQANCHMSA-N 430.258 4.277 5 20 IIBD CC(C)(C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 737341678 PGZGDNGCUPGCGR-QGZVFWFLSA-N 430.888 4.374 5 20 IIBD Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1NC(=O)NC(C)(C)C 741050876 OAAMTGLEVLSMLV-CQSZACIVSA-N 442.472 4.007 5 20 IIBD CCc1nc(C)c([C@H](C)N(C)S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])s1 742305700 ZBBBMNBUUXWVDU-JTQLQIEISA-N 448.364 4.066 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@H](C)Oc3cccc(C)c3)CC2)ccc1[N+](=O)[O-] 744201647 PTLFMUNQQNKEJW-KRWDZBQOSA-N 428.485 4.281 5 20 IIBD Cc1c(Cl)cccc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 744562747 RULKIUVQKJGBOL-CQSZACIVSA-N 431.876 4.341 5 20 IIBD O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(CS(=O)(=O)c2ccccc2)o1 746062041 AGKWNZDFEAQJQP-UHFFFAOYSA-N 435.841 4.172 5 20 IIBD Cn1ncc2cc(C(=O)Nc3cc(Cl)c([N+](=O)[O-])cc3OCc3ccccc3)cnc21 747297671 LBJPGQXCOGLAIV-UHFFFAOYSA-N 437.843 4.361 5 20 IIBD CCC[C@@H]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)sc2C1 748680685 NPGVABXOQJSTBH-CQSZACIVSA-N 430.530 4.045 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)cc1C 748695177 ZZOSEOXVSWMXLC-UHFFFAOYSA-N 441.962 4.219 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Oc1ccc(-c2cscn2)cc1 750754110 RELIQDITUNDAMK-UHFFFAOYSA-N 425.422 4.012 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](COC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 751637458 YSVHHGUOPUJGBK-LBPRGKRZSA-N 430.910 4.141 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cc1[N+](=O)[O-] 752246127 DBDZPKCFNOBUSD-OXJNMPFZSA-N 438.933 4.345 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Oc2ccc3c(c2)OC(C)(C)CC3=O)cc1[N+](=O)[O-] 752247160 XEQBERYDFMIIEM-UHFFFAOYSA-N 425.846 4.068 5 20 IIBD O=C(NCc1ccnc(N2CCCCC2)c1)Nc1ccc(Br)c([N+](=O)[O-])c1 755023256 DNWVZFPOESVGOT-UHFFFAOYSA-N 434.294 4.064 5 20 IIBD COC(=O)c1ccc(-c2nc(COC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)cs2)cc1 755052036 BWDXXNNFOFJZPP-LBPRGKRZSA-N 444.440 4.491 5 20 IIBD C[C@H](C(=O)NC[C@H](O)c1cccc(OCc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1F 755512082 GMAQUYMLCYLWIR-HJPURHCSSA-N 438.455 4.266 5 20 IIBD O=C(NCc1cc(Cl)c2c(c1)OCCCO2)NCc1cc([N+](=O)[O-])ccc1Cl 756916941 JQFGXAXCXJUYGP-UHFFFAOYSA-N 426.256 4.062 5 20 IIBD Cc1cc(F)cc(C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1[N+](=O)[O-] 758382514 XELCCBBWEPOUNI-UHFFFAOYSA-N 439.355 4.422 5 20 IIBD COC(=O)COc1ccc(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c2ccccc12 758654510 QYQMPAUSPVMKJZ-UHFFFAOYSA-N 443.843 4.275 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCCN(Cc2cccc(F)c2)C1 760521598 IDUOCNOPEDIPCQ-SFHVURJKSA-N 439.443 4.344 5 20 IIBD CN(C(=O)c1ccncc1)c1ccc(CNc2ccc([N+](=O)[O-])cc2OC(F)F)cc1 760541726 KLCFQDHAFIPNSW-UHFFFAOYSA-N 428.395 4.480 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])OCC(=O)N(Cc1ccco1)c1ccccc1 761766621 FVOIQWLXIGHOQV-UHFFFAOYSA-N 426.450 4.057 5 20 IIBD COc1cc(Cc2noc(-c3ccc(NC(=O)OC(C)(C)C)cc3O)n2)ccc1[N+](=O)[O-] 762308807 NZVRJKLAJCCNQB-UHFFFAOYSA-N 442.428 4.297 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cc3ccccc3nc2Br)cc1C 762505343 QOVPQKLOFNZTIA-UHFFFAOYSA-N 436.287 4.323 5 20 IIBD Cc1ccc(Cl)c(N)c1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 768044033 CGKMUYBKZLHIFY-VIFPVBQESA-N 445.781 4.342 5 20 IIBD C[C@@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(NC(=O)Nc2ccccc2)cc1 768805186 LWBXWFFMAURKTR-CYBMUJFWSA-N 446.510 4.340 5 20 IIBD C[C@H](N[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccc([N+](=O)[O-])c1 775189652 CUFQGFNNRFKEBE-QWHCGFSZSA-N 441.469 4.304 5 20 IIBD CN(C(=O)CN(C(=O)OC(C)(C)C)C1CC1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 775496105 SAQICKDBXNHEQZ-UHFFFAOYSA-N 432.502 4.081 5 20 IIBD C[C@H](OC(=O)c1sc(N2CCCC2)nc1Cl)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 775887631 UEEYBWLVGPKESH-JTQLQIEISA-N 449.876 4.273 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3cc(C)n([C@@H](C)C4CC4)n3)CC2)ccc1[N+](=O)[O-] 777327556 YTRPEYKGDJZEGQ-INIZCTEOSA-N 442.516 4.295 5 20 IIBD COC1CCC(C(=O)O[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC1 781246245 SWNFQLGHQQZVPO-WIXQSORDSA-N 426.469 4.331 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 786414347 XXMQAZJEJSWORX-UHFFFAOYSA-N 434.246 4.379 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccco2)c(C)c1[N+](=O)[O-] 790821048 FRIMIVCRNNZDDV-UHFFFAOYSA-N 445.453 4.104 5 20 IIBD COc1cc(COC(=O)[C@H](C)Oc2cccc(Cl)c2)c([N+](=O)[O-])cc1OC(F)F 791387537 VOWJNVSDMTWEGK-JTQLQIEISA-N 431.775 4.369 5 20 IIBD Cc1cccc([C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c2ccccn2)c1 795905500 WDEXALYPCRPSFA-LJQANCHMSA-N 435.864 4.159 5 20 IIBD CC(C)c1[nH]nc(C(=O)OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1[N+](=O)[O-] 796258935 XGHLGIBFMXBEGS-UHFFFAOYSA-N 435.651 4.197 5 20 IIBD COCCC[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)c1ccc(Cl)cc1 804126690 PFUVBFYBVMCIFX-HNNXBMFYSA-N 435.864 4.405 5 20 IIBD Cc1cc(NC(=O)N2CCC([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)ccc1[N+](=O)[O-] 810202282 VRBJMMOLFMIECF-QGZVFWFLSA-N 432.521 4.404 5 20 IIBD Cc1c(C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)nnn1CC1CCCC1 811219607 XCWDRDCKYMIZJA-UHFFFAOYSA-N 427.486 4.165 5 20 IIBD COCCn1c(-c2cccc3cccnc23)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 812099594 VMFFAWXDYBICMU-UHFFFAOYSA-N 444.495 4.217 5 20 IIBD O=C(NCc1ccc(OCCN2CCCC2)cc1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813449634 VZFHXXHAFXJSFW-UHFFFAOYSA-N 438.311 4.306 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C(=O)c1ccccc1C(F)(F)F 814484346 RXXPLFQDGIUQOA-JTQLQIEISA-N 428.338 4.247 5 20 IIBD CC1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Sc3nc[nH]n3)cc2)CC1 823309977 FFRWVZLKQGXPQU-UHFFFAOYSA-N 438.513 4.353 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C(=O)Nc1ccc(F)cc1Cl 846284954 QXBGDMDHVUAEKW-LBPRGKRZSA-N 435.839 4.172 5 20 IIBD Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)cc1 897526737 UAAGVHLFPMKTAQ-UHFFFAOYSA-N 436.374 4.133 5 20 IIBD CC(C)(c1nc(-c2cccc(Cn3cnc4ccccc43)c2)no1)n1cc([N+](=O)[O-])cn1 904494911 ZQMGYUNXYQLMFB-UHFFFAOYSA-N 429.440 4.023 5 20 IIBD O=C(COC(=O)CCOc1ccccc1Cl)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 914969801 PBMKMXGYCSIYGV-UHFFFAOYSA-N 446.765 4.218 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cccc(NC(=O)c2ccccc2)c1 915299860 VXQMSBRQGZFAEL-AWEZNQCLSA-N 434.408 4.246 5 20 IIBD O=C(OCc1ccc(Cl)c2cccnc12)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 915385321 ROFPLEIHBQGOAY-ZDUSSCGKSA-N 443.818 4.032 5 20 IIBD O=C(c1ccc(OCc2ccccc2)cc1)N1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 915688396 MUCWUWCWFSIRMP-UHFFFAOYSA-N 449.482 4.271 5 20 IIBD Cc1ccn(-c2ccc(C(=O)N(Cc3nnc(-c4cccc([N+](=O)[O-])c4)o3)C(C)C)cc2)n1 915824031 TZEYYYMASOFKDI-UHFFFAOYSA-N 446.467 4.190 5 20 IIBD C[C@H](NC(=S)NNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 915994423 HKMJEYYSCFGNPV-VIFPVBQESA-N 429.380 4.074 5 20 IIBD O=C(NCc1csc2ccccc12)c1cc([N+](=O)[O-])ccc1I 916081968 HVXGFQMNUDVMLW-UHFFFAOYSA-N 438.246 4.344 5 20 IIBD C[C@@H](OCc1ccccc1)C(=O)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 918634892 SNHXYNUXJPUAJC-NQIIRXRSSA-N 440.496 4.128 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CCCC2)c1 1253789883 XJLGSSYKWAVZRF-UHFFFAOYSA-N 443.525 4.098 5 20 IIBD CN(C)Cc1cc(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)no1 1262479378 YXKSEXFXVDMYEC-UHFFFAOYSA-N 448.838 4.159 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 1319831519 ZOQFXLDUIKJMNT-HNNXBMFYSA-N 440.525 4.229 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(-c2ccc(N3CCCS3(=O)=O)cc2Cl)n1 1320208268 VZTHRRWISKNVHB-UHFFFAOYSA-N 448.888 4.122 5 20 IIBD C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 1322782237 XAASWYFVWFBDEJ-RBZFPXEDSA-N 442.903 4.023 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3cccc4[nH]ncc34)cc2)CCC1)c1ccc([N+](=O)[O-])o1 1788439537 VZJYMPZUJAUYDY-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD CC(=O)C[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc(F)c3[N+](=O)[O-])cc2)CCC1 1790698766 MOQXFGOPRCTFKI-CQSZACIVSA-N 441.459 4.097 5 20 IIBD CCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1 1804343789 ADALQUGNDNIZSP-CHPVGTHUSA-N 433.508 4.122 5 20 IIBD Cc1ccc(C(=O)N2CCC3(CCCN(C(=O)Cc4cccc([N+](=O)[O-])c4)C3)CC2)cc1C 1804753776 IWHHXHBDXMRCEI-UHFFFAOYSA-N 449.551 4.299 5 20 IIBD C[C@@H]1C[C@]1(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830224816 VVLCDGCTRWPNRU-XLHILCRZSA-N 431.508 4.013 5 20 IIBD O=C(CCC1CCC1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1 1830487583 BLUFYSPLUUNKHW-FQEVSTJZSA-N 443.544 4.114 5 20 IIBD O=C(c1cccc(F)c1[N+](=O)[O-])N1CCC([C@@H]2CCCCN2C(=O)CC2CCC2)CC1 1832835668 DPJZWBBDAHLMLT-FQEVSTJZSA-N 431.508 4.157 5 20 IIBD COc1cc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)c([N+](=O)[O-])cc1OC(F)F 10980056 XFGSENMMVDFSRC-UHFFFAOYSA-N 436.289 4.398 5 20 IIBD Cc1nc(-c2cccc(NC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)c2)cs1 14940540 FCNZRQPEYGZGCF-UHFFFAOYSA-N 438.465 4.354 5 20 IIBD CCN1CCN(c2ccc(Cl)cc2NC(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1 18230968 JVCHTPZSNUESMP-UHFFFAOYSA-N 434.949 4.364 5 20 IIBD O=C(COC(=O)/C=C/Sc1ccccc1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 18803585 QHGRYTDXBFYULP-CMDGGOBGSA-N 426.372 4.401 5 20 IIBD CCn1c(SCC(=O)NCCc2ccc(F)cc2)nc2cc3ccccc3cc2c1=O 24890899 KQHLOZBEFZXPSR-UHFFFAOYSA-N 435.524 4.160 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(Sc2ccc(Br)cc2)cc1 28411179 LGDMORCBBICOPR-UHFFFAOYSA-N 433.287 4.344 5 20 IIBD COCCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nc2cc(Cl)ccc21 32881419 ZDXDRQCWTSBXON-UHFFFAOYSA-N 434.905 4.284 5 20 IIBD COc1ccccc1N(Cc1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(F)cc1 60817168 OKMJRKFBVKXLDN-UHFFFAOYSA-N 430.457 4.446 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC(Oc2cc(C)ccc2C)CC1 64632160 LYNHDPKCBUDLDO-KRWDZBQOSA-N 427.501 4.091 5 20 IIBD CCOc1cc(C(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C2CC2)c([N+](=O)[O-])cc1OC 105730116 JEJMPCRYKHWAOR-HNNXBMFYSA-N 428.485 4.452 5 20 IIBD CC1(C)CC(=O)c2sc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)nc2C1 106115257 BILHDZCCLZACFC-UHFFFAOYSA-N 431.517 4.405 5 20 IIBD O=C(Nc1cccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c1)c1ccccc1 109270823 CALTVNSDHNYEAJ-UHFFFAOYSA-N 427.420 4.285 5 20 IIBD Cc1ccc(NC(=O)CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c(Cl)c1 109402327 CCIZJDGESJKOGH-UHFFFAOYSA-N 444.919 4.161 5 20 IIBD CCCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)C(=O)Nc1cccc(N2CCCC2)c1 110116639 LCAAJCLNUCQZGW-QGZVFWFLSA-N 430.530 4.184 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc3oc(C4CC4)nc3c2)ccc1[N+](=O)[O-] 110320648 CYJQXYLDMNDDIN-LJQANCHMSA-N 434.452 4.165 5 20 IIBD CC(=O)Nc1ccc(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 195605573 ZQLUMELGCHKZNE-OAHLLOKOSA-N 433.468 4.051 5 20 IIBD Cc1nccn1C[C@@H](C)CNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 237421292 QDQZYEQHSGXROX-SFHVURJKSA-N 430.512 4.378 5 20 IIBD CCOC(=O)c1ccccc1N(CC)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 261438569 ZEMGXMUGJXLQHA-UHFFFAOYSA-N 425.485 4.041 5 20 IIBD C[C@H]1C[C@@H](C)CN(Cc2ccc(CNc3ccc([N+](=O)[O-])cc3S(C)(=O)=O)cc2)C1 302615478 FWIHEJFFAWYQOJ-CALCHBBNSA-N 431.558 4.088 5 20 IIBD CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 303825448 FSDLKFNWCVQJBL-UHFFFAOYSA-N 444.919 4.195 5 20 IIBD O=C(Nc1ccc(Br)c(I)c1)c1ccccc1[N+](=O)[O-] 312745283 KADJWMUESOZXED-UHFFFAOYSA-N 447.026 4.214 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC[C@@H]1c1cccc(Br)c1 327879761 ZEWGICXOIBJDAC-CQSZACIVSA-N 429.267 4.022 5 20 IIBD O=C(NCCn1cc([N+](=O)[O-])cn1)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F 426076211 KBNLYXIPCLPKAO-UHFFFAOYSA-N 435.362 4.424 5 20 IIBD C[C@H](NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1cccc(OCc2ccccc2)c1 426355391 ZUPPKWCSWDWMTE-SFHVURJKSA-N 449.511 4.478 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 429923055 IKFFDXXJMFUCPM-GOSISDBHSA-N 435.274 4.256 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NCCC1CC(O)C1 432472264 DYSPATNGPGLXSH-BOPFTXTBSA-N 437.521 4.412 5 20 IIBD COc1cc(-c2nnc(SCc3nc4cc([N+](=O)[O-])ccc4o3)o2)cc(OC)c1OC 434797624 ZJZALIJKELGFJO-UHFFFAOYSA-N 444.425 4.104 5 20 IIBD COC(=O)C[C@@H]1CCCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 435293201 WITRTOPLLSGXPX-HNNXBMFYSA-N 448.859 4.217 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1-c1nc(-c2ccc(CN3CCOCC3)cc2)no1 438736212 ONPBCVXUCMPOQQ-UHFFFAOYSA-N 434.374 4.163 5 20 IIBD CN(C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] 441060737 VOLIHQWOJWPDMH-YVWKXTFCSA-N 441.553 4.070 5 20 IIBD Cc1ccc(NC(=O)C(=O)NCc2ccc(Oc3ccccc3F)c(F)c2)cc1[N+](=O)[O-] 442254718 DSHWUWMTOKMJPV-UHFFFAOYSA-N 441.390 4.229 5 20 IIBD CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 444220068 BPYSSPIRMMOTKF-HSZRJFAPSA-N 442.515 4.364 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 445245784 WDYBTQTWXFFXTA-AWEZNQCLSA-N 445.863 4.004 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(CC(F)(F)F)c2)c(Br)c1 446996753 NQVWBPSFUNFXCX-UHFFFAOYSA-N 439.209 4.263 5 20 IIBD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NC2CCN(c3nc4ccccc4s3)CC2)n1 447543587 SDWSYMANHAYMAC-FUHWJXTLSA-N 426.546 4.143 5 20 IIBD CNc1c(C(=O)N2CCC(Nc3cccc(Br)c3)CC2)cccc1[N+](=O)[O-] 447695620 XRHIOWXTDZOZEB-UHFFFAOYSA-N 433.306 4.116 5 20 IIBD C[C@H](c1ccccn1)N(C)C(=O)c1cc(C(=O)N(C)[C@H](C)c2ccccn2)cc([N+](=O)[O-])c1 460662978 QETRXRYTEXUOQZ-IAGOWNOFSA-N 447.495 4.051 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 460868170 BAWIWJORXPBMRX-MRXNPFEDSA-N 426.860 4.247 5 20 IIBD C[C@@H]1C[C@@H]1[C@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(Cl)cc1 461420218 WECMEIVZWZQEDK-CILWKZBWSA-N 436.295 4.145 5 20 IIBD O=C(c1cc(-c2ccccc2C(F)(F)F)on1)N1CCOc2ccc([N+](=O)[O-])cc2C1 462459785 OFFMAPQOKGGWHO-UHFFFAOYSA-N 433.342 4.303 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2c3ccccc3CCC[C@@H]2C)cc1OC 462581832 SKCSOPZFHTWFME-OYHNWAKOSA-N 428.485 4.072 5 20 IIBD O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1CCc2ncnc(O)c2C1 466438865 ONPVXIXRWFZXNV-UHFFFAOYSA-N 442.884 4.094 5 20 IIBD O=C(c1ccnc(Oc2ccc(F)cc2F)c1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 468236470 ZDJREFLHUQXQIJ-UHFFFAOYSA-N 440.406 4.023 5 20 IIBD CCOc1cc(NC(=O)c2ccc3nc(C(F)(F)F)cn3c2)c([N+](=O)[O-])cc1OCC 472522116 UBYWEZWASDKKKR-UHFFFAOYSA-N 438.362 4.311 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3scnc3C3CCCC3)CC2)ccc1[N+](=O)[O-] 477371460 DZWKDMMIQVKEBC-UHFFFAOYSA-N 430.530 4.070 5 20 IIBD CCC1(Cc2ccccc2)CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 478305973 QJZXPLWYADBHBH-IBGZPJMESA-N 439.512 4.054 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCc2ccc(F)cn2)cc1[N+](=O)[O-] 478658003 IYTOPFMGNKBJKK-UHFFFAOYSA-N 425.441 4.012 5 20 IIBD NC(=O)[C@@H](Sc1ccc(Br)cc1[N+](=O)[O-])c1cccc(Br)c1 479212344 DZZZEAQYYKPFFP-ZDUSSCGKSA-N 446.120 4.439 5 20 IIBD O=C(c1ccc(F)c2ccccc12)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 480960824 SSSVPVIEUODBMJ-UHFFFAOYSA-N 433.443 4.116 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2CN2CCC[C@@H](C)C2)cc1OC 481631495 VZOMAGRNJZTMOR-QGZVFWFLSA-N 441.528 4.164 5 20 IIBD CCN(CC)CCOc1ccccc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 483552531 HJWYVGAOGRYHKF-UHFFFAOYSA-N 440.544 4.171 5 20 IIBD CN(Cc1ccc([S@](C)=O)cc1)C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 485743334 QTBBQPDLCQUFBQ-HKBQPEDESA-N 438.505 4.183 5 20 IIBD COC(=O)c1cc(NS(=O)(=O)c2oc3ccc(Cl)cc3c2C)c(C)c([N+](=O)[O-])c1 486009897 VJTMISCPQLLOLR-UHFFFAOYSA-N 438.845 4.199 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CSc3ncnc4c3cnn4Cc3ccccc3)o2)cc1 489777251 MGOGIFTYTCLZJU-UHFFFAOYSA-N 445.464 4.125 5 20 IIBD CCOc1ccc(C(=O)N(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)cc1[N+](=O)[O-] 490861266 VJBDSHGCWYVCHZ-UHFFFAOYSA-N 426.448 4.228 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCc3[nH]c4ccc(C)cc4c3C2)cc1SC 491565120 STOZCZXBZHDMKN-ZDUSSCGKSA-N 425.510 4.402 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](CO)Cc1ccccc1C(F)(F)F 491855501 VBQGQNCGOGPDJV-ZDUSSCGKSA-N 442.459 4.307 5 20 IIBD COCCN(Cc1ccc(Br)s1)C(=O)Nc1cc([N+](=O)[O-])ccc1C 494137606 SGYSTCNIDWAQRE-UHFFFAOYSA-N 428.308 4.408 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)c1 497048988 GFFQLLYWYGPIMP-KRWDZBQOSA-N 425.485 4.325 5 20 IIBD O=[N+]([O-])c1ccc([C@@H]2SCCN2S(=O)(=O)Cc2cccc(C(F)(F)F)c2)cc1 497937143 IIVCLWPEHVMFOA-INIZCTEOSA-N 432.445 4.191 5 20 IIBD O=C(Nc1ccccc1I)c1cc([N+](=O)[O-])ccc1OC(F)F 498244581 UZWSPVUUYFXECC-UHFFFAOYSA-N 434.136 4.053 5 20 IIBD C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 498450798 FQCOLQGKXINONS-QGZVFWFLSA-N 428.488 4.021 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(COCc2ccccc2)cc1 499285809 OPFLYWCCZIGHGW-UHFFFAOYSA-N 428.466 4.126 5 20 IIBD COc1ccccc1Oc1ccc(N[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 500290621 UGVCXFSQEVKDDC-LJQANCHMSA-N 433.420 4.140 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccc(Cl)c(CN(C)C)c3)cc2)c(C)c1[N+](=O)[O-] 500782060 ULSZVZVPPMVMFY-UHFFFAOYSA-N 441.919 4.424 5 20 IIBD CC(C)(C)NC(=O)c1cccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 502169017 PAPBKDUWAIUTAN-UHFFFAOYSA-N 439.390 4.317 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1n[nH]c(-c2ccc(OC)cc2OC)n1 502984526 LLFYBFGTVXKENP-UHFFFAOYSA-N 443.485 4.152 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2Cc2nc(C3CCOCC3)no2)cc1 504615620 TTZKXCBKCRINAA-UHFFFAOYSA-N 431.452 4.315 5 20 IIBD O=C(NCC1(c2cccs2)CCCCC1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 508851093 WDQVIEWFRSDAAU-UHFFFAOYSA-N 441.553 4.166 5 20 IIBD O=C(CSc1nnc(-c2ccc3ccccc3c2)o1)NCCc1ccc([N+](=O)[O-])cc1 509325450 BZGQDLYKPOYSFG-UHFFFAOYSA-N 434.477 4.249 5 20 IIBD Cn1cnc2cc(C(=O)Nc3cc(-c4ccco4)nn3-c3cccc([N+](=O)[O-])c3)ccc21 510228508 CZSMCZBWXJITNL-UHFFFAOYSA-N 428.408 4.180 5 20 IIBD O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 511544973 HDWFBXUCPFXTCM-MRXNPFEDSA-N 440.397 4.259 5 20 IIBD Cc1cccc(Oc2ccccc2NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c1 512910041 KGUOSMCHGXSABP-UHFFFAOYSA-N 426.450 4.351 5 20 IIBD CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)s1 513045433 DYBWDUCFFRBKMG-CHWSQXEVSA-N 445.570 4.490 5 20 IIBD CCn1cc(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)ccc1=O 516002508 RMBILBHZIRUXIK-UHFFFAOYSA-N 426.860 4.294 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCc2c(C)noc2C)cc1[N+](=O)[O-] 517901948 BSYIIDUNWHMWJT-UHFFFAOYSA-N 425.466 4.083 5 20 IIBD COc1cc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)ccc1[N+](=O)[O-] 521359596 OZBFZLWUZFEHND-UHFFFAOYSA-N 425.268 4.480 5 20 IIBD COc1cccnc1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 522170383 KPPDYHIHRIYWBH-UHFFFAOYSA-N 429.436 4.032 5 20 IIBD O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@@H]1C[C@@H]1c1cccc(Br)c1 522359008 LTTVPGUJHBRVNM-HZPDHXFCSA-N 427.258 4.490 5 20 IIBD CC(C)Oc1ccc(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c(C(F)(F)F)c1 522560024 GEDOGJFLZVVGRW-UHFFFAOYSA-N 426.347 4.060 5 20 IIBD CCOC(=O)c1cc(C(=O)NCc2sc(-c3ccccc3)nc2C)cc([N+](=O)[O-])c1 524057839 JCJRMEBPSPYSQZ-UHFFFAOYSA-N 425.466 4.133 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1cc(F)ccc1OCC(F)(F)F 531208214 ZGFJJHPGUOEQKF-UHFFFAOYSA-N 428.747 4.129 5 20 IIBD CCc1nc(CN(C)[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cs1 532925499 PPTQAKNOZMBOHC-LBPRGKRZSA-N 431.543 4.196 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCSc1nnc(C)n1[C@@H]1CCC[C@H](C)C1 534606327 PAGIQSNJAWXOIN-DZGCQCFKSA-N 433.534 4.375 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCS(=O)(=O)c1ccc(C(C)(C)C)cc1 536689505 WTRNSKZSUXWNNQ-UHFFFAOYSA-N 432.542 4.021 5 20 IIBD COc1cc(N[C@@H]2CCCN(C(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)C2)cc(OC)c1 536730675 ABIPHXADUACIQE-QGZVFWFLSA-N 427.501 4.254 5 20 IIBD Cc1c([C@@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cnn1-c1ccc(F)cc1 537160703 FDVDACACPWNMFT-GFCCVEGCSA-N 431.855 4.171 5 20 IIBD O=[N+]([O-])c1ccc2nc(NS(=O)(=O)c3cc(Br)ccc3Cl)ccc2c1 537351411 HPQOGPYKBVFKKY-UHFFFAOYSA-N 442.678 4.360 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1 538539844 KRWFDSLUHRQBHW-ROUUACIJSA-N 428.432 4.369 5 20 IIBD CC[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 539017621 AZXCQUKARKMULR-CRAIPNDOSA-N 431.514 4.107 5 20 IIBD CC(C)S(=O)(=O)c1ccccc1C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 539355690 NTHNNYCCMMKDEH-UHFFFAOYSA-N 445.522 4.177 5 20 IIBD Cc1ccc(Sc2ccc(CN[C@H]3CCC[C@H](S(C)(=O)=O)C3)cc2[N+](=O)[O-])cc1 539519871 VHEDPIZYNOFHNT-HKUYNNGSSA-N 434.583 4.500 5 20 IIBD O=C(CCCc1ccc2ccccc2c1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 540500934 DPJAEERQBJDDIU-UHFFFAOYSA-N 431.492 4.055 5 20 IIBD O=[N+]([O-])c1cccc2ncnc(NCC3(c4cccc(Br)c4)CCOCC3)c12 541590318 YTSRKBWCMSRRQD-UHFFFAOYSA-N 443.301 4.461 5 20 IIBD CC(C)CO[C@H](C)c1noc(CN(C)C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])n1 542192310 RZPJOFLMZUKVEV-GFCCVEGCSA-N 442.925 4.116 5 20 IIBD C[C@H](C(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1)c1ccc([N+](=O)[O-])cc1F 542684189 DDQCHRBAWKSUJY-SGTLLEGYSA-N 426.366 4.456 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnn1Cc1ccc(OC)cc1OC 545902302 WYFUSSBFCZJZEM-KRWDZBQOSA-N 438.484 4.064 5 20 IIBD O=C1C[C@H](c2nc(-c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3)no2)CN1CC(F)(F)F 547176470 HHJJXNUAWSWDIT-ZDUSSCGKSA-N 448.357 4.315 5 20 IIBD Cc1cccc(COc2cccc(NC(=O)C(=O)N(C)CCc3cccc([N+](=O)[O-])c3)c2)c1 549750663 MRIGDWNOASLXDH-UHFFFAOYSA-N 447.491 4.122 5 20 IIBD Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c(O[C@H]2CCOC2)c1 550272170 KNYMXRMSQDXGLR-INIZCTEOSA-N 449.301 4.072 5 20 IIBD O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 556599306 KNXQLCXHGLZRKW-UHFFFAOYSA-N 435.333 4.215 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](NCc1ccccc1)c1ccco1 561083675 GIWBLCMCCHTAFE-OXJNMPFZSA-N 425.510 4.316 5 20 IIBD CNC(=O)c1cc(Oc2cc(NC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)ccc2C)ccn1 562400373 OJOVLMHUHBWDOC-HNNXBMFYSA-N 434.452 4.192 5 20 IIBD C[C@H]1c2c(F)cccc2CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 564633646 RWBIOAVMJDFCBZ-HOTGVXAUSA-N 437.475 4.153 5 20 IIBD NS(=O)(=O)c1c(N[C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] 571309411 HIRCVBDWEARCQL-UONOGXRCSA-N 429.420 4.009 5 20 IIBD CCOc1ccccc1CN(CCCn1ccnc1)c1ncnc2sc([N+](=O)[O-])cc12 572350197 SZNTZTGYFJMKHF-UHFFFAOYSA-N 438.513 4.292 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(OC)cc(S(C)(=O)=O)c1 573154644 IDMDQIDSVOSMGY-UHFFFAOYSA-N 438.527 4.151 5 20 IIBD Cc1cccc(-c2cnc(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)s2)c1 578058540 PCACBHMHXXRPCV-CQSZACIVSA-N 442.522 4.332 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1noc(-c2cc(COc3ccccc3F)on2)n1 578676732 JAAKSDGJWZYPNE-UHFFFAOYSA-N 425.376 4.006 5 20 IIBD Cc1c(Cc2noc(Cc3cc4c(cc3Br)OCCO4)n2)cccc1[N+](=O)[O-] 580257251 ARKSGZJBGJEILK-UHFFFAOYSA-N 446.257 4.002 5 20 IIBD C[C@@H](CN[C@@H](c1cccc([N+](=O)[O-])c1)c1nccn1C)Oc1cccc(Br)c1 581959616 JBRLXMVQKWRZCY-LIRRHRJNSA-N 445.317 4.237 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)NC2(CCOCc3ccccc3)CC2)cc1[N+](=O)[O-] 585760627 AAFSPDRSMQDKEY-UHFFFAOYSA-N 439.512 4.087 5 20 IIBD O=C([C@H]1CCN(c2ccccc2Cl)C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 589437006 LKDPHLJVHHYRGD-INIZCTEOSA-N 429.904 4.145 5 20 IIBD NS(=O)(=O)c1ccc(NCc2ccc(Sc3ccc(F)cc3)cc2)cc1[N+](=O)[O-] 600847388 REWDNJVATXNDJX-UHFFFAOYSA-N 433.486 4.145 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)Nc1cccc(OC(F)F)c1)c1ccccc1[N+](=O)[O-] 603683169 RJQHDPWEBMQHIN-MRXNPFEDSA-N 437.399 4.401 5 20 IIBD COc1cc(OC)c(OC)cc1CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 603732035 QWWPHZBEHCBJFD-UHFFFAOYSA-N 438.436 4.343 5 20 IIBD COCc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(COC)c3)c([N+](=O)[O-])c2)c1 609044083 VDXUEGAAEMBVDG-UHFFFAOYSA-N 449.463 4.392 5 20 IIBD CC(C)(C(=O)N1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])cc1 610062126 PNDRIYLXZRZEEV-UHFFFAOYSA-N 444.919 4.292 5 20 IIBD O=C(NCC1CC1)c1cc(Cl)ccc1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 610132131 IVHUULSVYPHFNW-UHFFFAOYSA-N 427.848 4.050 5 20 IIBD O=C(N[C@H]1CCCN(c2ccccc2Cl)C1)c1ccc([N+](=O)[O-])cc1Br 610178750 WRSDYWVSPJYODU-LBPRGKRZSA-N 438.709 4.410 5 20 IIBD O=[N+]([O-])c1cc2c(cc1/C=C/c1nc(O)c3cc(Br)sc3n1)OCCO2 619472230 VKKMQWMMWUKUND-OWOJBTEDSA-N 436.243 4.009 5 20 IIBD CCC1(C)CCN(C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 725722938 BPGJEFJIOORNDT-UHFFFAOYSA-N 432.498 4.015 5 20 IIBD O=C(NCCCc1nc(-c2ccncc2)cs1)c1cc([N+](=O)[O-])ccc1N1CCCC1 727751190 AYELXCFYAGMZSA-UHFFFAOYSA-N 437.525 4.076 5 20 IIBD C[C@H](OC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 728318004 CENDHQINAHZKAW-JTQLQIEISA-N 428.388 4.109 5 20 IIBD O=C(OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(-c2ccc(F)cc2)cc1F 730057040 NRWCRGNWERITES-UHFFFAOYSA-N 438.386 4.286 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)OCc1nc2ccccc2c(C)c1Cl 730628414 RTZKMGZTPZBDQY-UHFFFAOYSA-N 444.827 4.048 5 20 IIBD CON(C)C(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1 731418568 NUYTZXWZNICREX-UHFFFAOYSA-N 434.452 4.093 5 20 IIBD O=C(CN(C(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccccc1)N1CCCCC1 732012350 NLJBBWQHAVYWDF-UHFFFAOYSA-N 446.301 4.017 5 20 IIBD O=C(Nc1nc2ccc(Br)cc2s1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 732260990 DEUSGXXXWUJRBB-UHFFFAOYSA-N 445.254 4.473 5 20 IIBD COc1cccc(COC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)n1 733004109 FHEYHDGSKIFGKN-UHFFFAOYSA-N 438.461 4.308 5 20 IIBD O=C(CN1C(=O)CCOc2ccccc21)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 735248951 JUXRECHZXJRDDI-UHFFFAOYSA-N 433.420 4.141 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1C 740680591 POZLDWPZBMZCSK-UHFFFAOYSA-N 439.921 4.194 5 20 IIBD CC[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)[C@H](CC)CN1CCc1ccc([N+](=O)[O-])cc1 740878788 YDEQYVPQLYOJHT-FGZHOGPDSA-N 440.544 4.463 5 20 IIBD C[C@@H]1C[C@H](c2ccccc2F)N(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 742333075 SUPBPNZGELHPGK-PIGZYNQJSA-N 443.294 4.268 5 20 IIBD C[C@H](OC(=O)[C@H]1C[C@]12CCc1ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 745723087 ZQGQCOODNDWABF-VVUGWJFESA-N 448.397 4.388 5 20 IIBD CCCn1c(/C(Cl)=C\c2cccc([N+](=O)[O-])c2)nc2cc(S(=O)(=O)N(C)C)ccc21 747191087 ZUVZYIRVVQCDOI-SFQUDFHCSA-N 448.932 4.342 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)ccc1[N+](=O)[O-] 750101351 APWJUZSXFKNEDE-UHFFFAOYSA-N 439.449 4.013 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 750576539 DZBJARQMCNUIBI-SJLPKXTDSA-N 446.548 4.103 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(OC(F)F)cc1OC(F)F 751268393 BHDKMXRXNNIGRK-UHFFFAOYSA-N 444.746 4.252 5 20 IIBD O=C(CC[C@H]1CCOC1)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 751708535 HJOXSSXQTBSVFF-VBKZILBWSA-N 432.860 4.288 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])c(Br)c1 752557341 OFDNEBMLFYPKMP-LLVKDONJSA-N 439.237 4.297 5 20 IIBD C[C@H](C(=O)Nc1cc2c(cc1Br)OCCO2)c1ccc([N+](=O)[O-])cc1F 754023995 BPGLOSMNNSJXSO-VIFPVBQESA-N 425.210 4.010 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CCc2c(Br)ccc(F)c2C1 754125801 ZKNUXSWZHAPETH-UHFFFAOYSA-N 436.237 4.016 5 20 IIBD O=C(OCCn1cc([N+](=O)[O-])ccc1=O)[C@@H](Sc1ccc(F)cc1F)c1ccccc1 761404666 FJKPIZVZJWJXDV-FQEVSTJZSA-N 446.431 4.112 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H](C)C[C@@H](O)c2ccco2)cc1 761858899 AWDQDIUNICHWFJ-IFXJQAMLSA-N 426.425 4.231 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2c1nc(CCNc2ccccc2[N+](=O)[O-])no1 761970516 USVKRHOMCHEIJG-HNNXBMFYSA-N 443.504 4.137 5 20 IIBD O=C(OCCc1ccc([N+](=O)[O-])cc1)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O 762931422 IZDDDCPDPTVIGN-UHFFFAOYSA-N 430.819 4.437 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc3c(ccn3CC(=O)O)c2)CC1 767137349 IDZPSRWTMXDYAR-UHFFFAOYSA-N 436.468 4.123 5 20 IIBD C[C@@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H](O)c1c(Cl)cccc1Cl 771715405 JMSQWJXPNMDNAR-NSPYISDASA-N 449.294 4.154 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)c1 772221800 IEJCIGILZVZFLO-UHFFFAOYSA-N 443.456 4.284 5 20 IIBD CC[C@H](NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@H](c1ccc(C)cc1)n1cncn1 773101339 BNWLFCHJZYAVKQ-BJKOFHAPSA-N 434.544 4.121 5 20 IIBD Cc1ccc2c(COC(=O)c3sc(Br)cc3[N+](=O)[O-])cc(=O)oc2c1C 773601055 FSEDTFNAOMBUKR-UHFFFAOYSA-N 438.255 4.499 5 20 IIBD CC(C)(C)OCc1ccccc1C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 773799598 XNASXJLPYCQPGW-SFHVURJKSA-N 440.496 4.372 5 20 IIBD COc1cccc([C@H]2[C@@H](C(=O)OCc3ccc(Cl)c([N+](=O)[O-])c3)CC(=O)N2C2CC2)c1 776324119 IDFJXGKPBIXZFG-UWJYYQICSA-N 444.871 4.052 5 20 IIBD O=C(Nc1ccc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1)OCC(F)(F)F 778035228 JEOZAVABARTXDC-UHFFFAOYSA-N 445.781 4.332 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)Nc1ccc(Cl)cc1Cl 778893603 WBFRFUKXKYMGPJ-UHFFFAOYSA-N 435.166 4.299 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1-n1cccn1 781588449 SVYAKJZJXHRFGN-UHFFFAOYSA-N 449.345 4.279 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)[C@H]2CCCC[C@@H]12 782809376 CZJAQOLDISZIQZ-NQERJWCQSA-N 444.509 4.013 5 20 IIBD O=C(CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)NCCN1CCCOCC1 783843164 WNGDKCYVFNQEQS-UHFFFAOYSA-N 428.532 4.385 5 20 IIBD CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCc1nc(Cl)ccc1Cl 785038735 MBPAOHDFQGDESV-UHFFFAOYSA-N 437.239 4.238 5 20 IIBD COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])c1 788363586 AQCYDDYKQWXCER-LEDOBFOHSA-N 434.448 4.443 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2cccnc2Oc2ccccc2)c(C)c1[N+](=O)[O-] 790394306 PAOOZBZJKDFVSX-UHFFFAOYSA-N 444.425 4.108 5 20 IIBD COCC[C@@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 790422719 YTNWKQHUZXYZCW-CYBMUJFWSA-N 425.315 4.019 5 20 IIBD Cc1c(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cccc1[N+](=O)[O-] 791018328 QJVJANVIDOWMRI-HNNXBMFYSA-N 435.440 4.310 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CC[C@]4(C)[C@@H](C3)C4(Cl)Cl)cc2[N+](=O)[O-])CC1 791191849 HJIVCPAIRHUHLV-IEBWSBKVSA-N 426.344 4.487 5 20 IIBD CN(C(=O)c1cccc(C(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)c1ccccc1 791856672 MUTVXASOJMANLJ-UHFFFAOYSA-N 435.392 4.137 5 20 IIBD CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 796811988 LDCXTFVXOGNAJG-MOPGFXCFSA-N 441.484 4.268 5 20 IIBD C[C@H](OC(=O)c1ccccc1Oc1cnn(C)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 801466389 NHSYNIPTEVZSLE-ZDUSSCGKSA-N 435.396 4.089 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(Cc2ccccc2F)CC1 802480590 SIHYZPDSNSWWKK-UHFFFAOYSA-N 439.491 4.098 5 20 IIBD CN(CC(F)(F)Br)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 807865324 CWJDJQKPLXPLGL-UHFFFAOYSA-N 431.183 4.019 5 20 IIBD CC(C)(CCc1noc([C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)n1)[N+](=O)[O-] 812811234 OFEHKVCCLUBPRR-CQSZACIVSA-N 427.288 4.342 5 20 IIBD COc1ccc([C@@H](O)C2CCN([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cc1 812855348 JMUULFQMGFYOKV-YCRPNKLZSA-N 438.484 4.160 5 20 IIBD O=C(Nc1nc(-c2ccccc2)co1)c1cc([N+](=O)[O-])ccc1I 816509448 PZRRZVQHLOSKOB-UHFFFAOYSA-N 435.177 4.107 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(N3CCCC3)c(F)c2)c1Cl 821158118 VLCSQUNQZUWPIG-UHFFFAOYSA-N 434.276 4.442 5 20 IIBD COc1ccc(CSCC(=O)OCc2c(C)nn(-c3ccccc3)c2C)cc1[N+](=O)[O-] 914716994 DWLGRQAAFKXOAS-UHFFFAOYSA-N 441.509 4.383 5 20 IIBD CN(Cc1ccc2ccccc2c1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 917856672 DCEBDVQIHRTTIF-UHFFFAOYSA-N 435.299 4.331 5 20 IIBD O=C(Nc1ccccc1C(=O)NCCSC(F)(F)F)c1ccc([N+](=O)[O-])cc1Cl 918591323 RUXOOPSGCBDOSI-UHFFFAOYSA-N 447.822 4.483 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cccc2ccccc12 919221249 FYBYRCUYESOULT-UONOGXRCSA-N 437.408 4.079 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC(=O)c1ccc(Br)cc1 920777165 AKXBULUFJNDIEJ-SNVBAGLBSA-N 442.649 4.204 5 20 IIBD O=C(Oc1ccc(NC(=O)c2cccs2)cc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 921274583 PPELZPYMKDCMMV-UHFFFAOYSA-N 434.433 4.314 5 20 IIBD O=C(Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)N1Cc2ccc([N+](=O)[O-])cc2C1 1318822267 KDDKVNYSAJJJHM-UHFFFAOYSA-N 443.525 4.390 5 20 IIBD COC(=O)[C@@H](NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1ccc2c(c1)CCO2 1321503962 AOVJFQDJURABPG-NRFANRHFSA-N 442.855 4.447 5 20 IIBD Cc1cc(-c2nnc(-c3ccccc3NS(=O)(=O)c3cccs3)o2)ccc1[N+](=O)[O-] 1322126682 YLPCCQYCACXPTM-UHFFFAOYSA-N 442.478 4.483 5 20 IIBD Cc1oncc1C(=O)NC1(c2ccc(NC(=O)CCc3cccc([N+](=O)[O-])c3)cc2)CCC1 1786602658 ZEDPMSGDDDLAOB-UHFFFAOYSA-N 448.479 4.272 5 20 IIBD Cc1ccnc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])cc4F)CCC3)cc2)c1 1788713922 HLPVWLZZIHRFTL-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD CCO/C=C/C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])CCC2)cc1 1791742603 LRGNOHQBMCKICD-ZIQQYUHESA-N 435.480 4.292 5 20 IIBD Cc1cc(Cl)ccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cccc([N+](=O)[O-])c1 1792474637 PPBSEPJEJUPHRM-REPLKXPHSA-N 441.915 4.051 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2cccc([N+](=O)[O-])c2)CCC1)C1CCCCC1 1800040158 KZRRBTQQJQKVQY-WKCHPHFGSA-N 439.556 4.235 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1F)c1cc2ccoc2s1 1800349370 ZBWLMLWVYUJOLB-BTTYYORXSA-N 443.456 4.107 5 20 IIBD CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[nH]n1 1816777622 UGKMWGOCXWPRNF-OAHLLOKOSA-N 427.486 4.249 5 20 IIBD O=C(CCCC(F)(F)F)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823610198 BCMWJVGFGQVYQZ-OAHLLOKOSA-N 445.438 4.154 5 20 IIBD O=C(C1=CCCC1)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc([N+](=O)[O-])ccc2F)CC1 1824947031 SWSFANKHUVNACE-QFIPXVFZSA-N 443.519 4.006 5 20 IIBD O=C(c1cccc(F)c1[N+](=O)[O-])N1CCC([C@H]2CCCCN2C(=O)C2=CCCC2)CC1 1826278015 GBQUSHQCEWEVIR-HXUWFJFHSA-N 429.492 4.078 5 20 IIBD Cc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C(F)F)CC2)cc(Cl)cc1[N+](=O)[O-] 1826411570 GTVZNIZNRXQFET-INIZCTEOSA-N 443.878 4.055 5 20 IIBD COc1cc(C(=O)OCc2coc(-c3cccs3)n2)c([N+](=O)[O-])cc1OC(F)F 10275008 JDNQKPPJOOMATC-UHFFFAOYSA-N 426.353 4.278 5 20 IIBD Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 11439271 ZRNLJSUTOBRHPY-UHFFFAOYSA-N 447.806 4.171 5 20 IIBD O=C(OCc1nc(-c2cccc(Cl)c2)no1)c1ccc(Br)c([N+](=O)[O-])c1 17718787 HMTYUOMXDXBFCB-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccccc1OC 22093961 SATOJKOEIVBOOT-CYBMUJFWSA-N 427.486 4.001 5 20 IIBD COCc1nc2ccccc2c(C)c1C(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 22871897 WJCDOHZCPIIAEU-UHFFFAOYSA-N 443.843 4.047 5 20 IIBD O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])Nc1ccc2c(c1)OC1(CCCC1)O2 25039729 XMHZIEITZCWMBN-UHFFFAOYSA-N 432.816 4.085 5 20 IIBD Cc1nn(CC(=O)N2N=C(c3cc4ccccc4o3)C[C@H]2c2ccco2)c(C)c1[N+](=O)[O-] 25486087 HAVUALXRRJSWOA-KRWDZBQOSA-N 433.424 4.125 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)Nc1ccccc1C(F)(F)F 28612467 YTLTYYZOFUSOAZ-UHFFFAOYSA-N 437.374 4.009 5 20 IIBD Cn1cnc([N+](=O)[O-])c1Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 29163710 GUEILPGHIRUFKF-UHFFFAOYSA-N 439.522 4.119 5 20 IIBD Cc1nc(-c2ccc([C@H](C)NC(=O)c3nnn(-c4cccc([N+](=O)[O-])c4)c3C)cc2)cs1 30893040 SGHFSZWEJWRAQG-ZDUSSCGKSA-N 448.508 4.407 5 20 IIBD Cn1cc(CCNC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)cn1 58409228 UZNKQJXWGPVYTQ-UHFFFAOYSA-N 439.522 4.062 5 20 IIBD CCOC(=O)c1c(NC(=O)CCn2cc([N+](=O)[O-])cn2)sc(-c2ccccc2)c1C 63570735 FUAZCIHTOPJPKP-UHFFFAOYSA-N 428.470 4.034 5 20 IIBD CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 64870650 BJEZRIHZWZQLJR-UHFFFAOYSA-N 446.435 4.097 5 20 IIBD CCNC(=O)c1cccc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 108752216 HVQWUQIZTQXPSA-OAHLLOKOSA-N 433.468 4.165 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 110918263 OGCAADSPKJNLDU-UHFFFAOYSA-N 444.447 4.226 5 20 IIBD COc1cc(CCNC(=O)NCC(C)(C)c2cccc(Cl)c2)c([N+](=O)[O-])cc1OC 195733454 HXJKHBQLONJPGM-UHFFFAOYSA-N 435.908 4.085 5 20 IIBD C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)NCc1ccco1 237569455 TXYFPUJEJYTFOA-LBPRGKRZSA-N 448.273 4.005 5 20 IIBD C[C@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(NC(=O)NC2CC2)cc1 426019074 RHYHSNPKPPXHSX-HNNXBMFYSA-N 437.500 4.314 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1I 426869432 RLGYCNQMECUFTF-SECBINFHSA-N 446.241 4.458 5 20 IIBD O=C(Nc1ccc(F)cc1I)c1ccc(NC2CC2)c([N+](=O)[O-])c1 426870662 FFZOUMJWYZNRKU-UHFFFAOYSA-N 441.200 4.165 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc3nc(C4CC4)oc3c2)ccc1[N+](=O)[O-] 430528219 XJFWBIAMCNPZHW-LJQANCHMSA-N 434.452 4.165 5 20 IIBD COc1ccccc1-c1noc(C2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)CC2)n1 431580416 WAZXYEDNMAYMPA-UHFFFAOYSA-N 441.419 4.204 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N(C)c2ncccc2F)cc1[N+](=O)[O-] 434322151 BFUJKDMEQAYARX-UHFFFAOYSA-N 425.441 4.358 5 20 IIBD O=C(NCc1ccc(N2CCCCC2)nc1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 436070770 WGHOCJVBGIYRSO-UHFFFAOYSA-N 430.483 4.136 5 20 IIBD CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 437594543 QLHWGYUACMITJE-UHFFFAOYSA-N 433.896 4.043 5 20 IIBD O=C([C@@H]1C[C@@]12CCc1ccccc12)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 438869735 IBVLTJIDTHHGQX-PGRDOPGGSA-N 445.441 4.166 5 20 IIBD COc1cc(C)c(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1OC 439235005 IHQVSJCPCNPESI-UHFFFAOYSA-N 442.493 4.316 5 20 IIBD COCCc1nc2cc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)ccc2o1 440000035 YIXZFAKGKQYJEG-UHFFFAOYSA-N 438.484 4.414 5 20 IIBD CN(C)C(=O)c1cccc(CCNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])c1 440621664 YSHOTYBSQHLCKH-UHFFFAOYSA-N 449.532 4.420 5 20 IIBD COCCO[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C1 444318285 QCCBOLOZLOFHPW-MRXNPFEDSA-N 436.917 4.277 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(/C=C\c3ccc(OC(F)F)cc3OC(F)F)n2)n1C 445609426 HJTJPECANGPTJS-XQRVVYSFSA-N 443.313 4.060 5 20 IIBD Cc1cccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 445635706 UKOBIXLAINBZQK-UHFFFAOYSA-N 427.844 4.317 5 20 IIBD CCOc1ccccc1N1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC1 447681891 SUHGUKXTDCTYEF-UHFFFAOYSA-N 446.376 4.369 5 20 IIBD COc1ccc(OCCS(=O)(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 460830970 MGVBHPAKROHNAJ-UHFFFAOYSA-N 444.465 4.216 5 20 IIBD O=[N+]([O-])c1ccccc1CN(c1nnc([C@@H]2CCCO2)n1Cc1cccs1)C1CC1 461481080 PKXICRDOUUDVNT-IBGZPJMESA-N 425.514 4.317 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(-c2ccccc2F)n1C[C@H]1CCOC1 461569862 UNSDEWRTIOZJRE-GOSISDBHSA-N 439.491 4.444 5 20 IIBD Cc1cc(N2CCCN(C(=O)c3ccccc3F)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] 461716534 FMNIXORFPWINDQ-UHFFFAOYSA-N 425.382 4.414 5 20 IIBD CCCc1[nH]nc(C(=O)NCc2ccc(OC(C)(C)C)cc2C(F)(F)F)c1[N+](=O)[O-] 464506949 AEMHDUWAICUAGD-UHFFFAOYSA-N 428.411 4.397 5 20 IIBD O=C(CCc1cccc(Br)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464657861 BXWUKKGAXQUHFZ-UHFFFAOYSA-N 433.302 4.360 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N(Cc1ccccc1C(F)(F)F)C1CC1 465037623 XGYNKEKGVXXEEQ-UHFFFAOYSA-N 436.386 4.119 5 20 IIBD Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 470245354 AGAGFKJNCCLHIS-VWNXMTODSA-N 448.523 4.415 5 20 IIBD CCc1ccc(C(=O)Nc2cc(OC)ccc2I)cc1[N+](=O)[O-] 471942428 SXFBDBLHEOWDEW-UHFFFAOYSA-N 426.210 4.023 5 20 IIBD O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@H]1c1nc(-c2ccccc2Br)no1 474778419 XGJSASCNLHZHOY-ZDUSSCGKSA-N 449.286 4.446 5 20 IIBD CO[C@]1(C)CCCN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CC1 477846962 LTRMTCJAHHLROD-GOSISDBHSA-N 427.288 4.119 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1cccc(OCC(F)(F)F)c1 478533611 FVWVPGDWEUQMEP-CYBMUJFWSA-N 428.432 4.375 5 20 IIBD Cc1cc(-c2noc([C@H](C)NCc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)n2)ccc1F 483647942 FKACYDSKOPNAPA-AWEZNQCLSA-N 436.447 4.344 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)[C@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)cn2)cc1C 483943525 QXPHPJMTKZKALI-INIZCTEOSA-N 434.452 4.156 5 20 IIBD COc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCc3sccc3C2)cc1[N+](=O)[O-] 484822300 QWPIFAVQCZZFSX-HXUWFJFHSA-N 437.521 4.194 5 20 IIBD O=C(NC[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1)c1ccccc1 485392402 UPJQNUCCPKUZPN-KRWDZBQOSA-N 434.471 4.442 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1ccc(C(=O)N2CCCC2)cc1 486657174 MNGHBZDHRSFGRG-UHFFFAOYSA-N 436.390 4.171 5 20 IIBD O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 486993064 BJISVHPCHVCZAE-UHFFFAOYSA-N 436.312 4.306 5 20 IIBD COc1ccccc1COc1cccc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1C 487374122 QZCFKIIFMAVECF-UHFFFAOYSA-N 436.420 4.472 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN(C(=O)c2cc4c(c([N+](=O)[O-])c2)OCO4)C3)cs1 490682557 BNQVAFKJWMYVNF-UHFFFAOYSA-N 429.479 4.015 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 490794994 DVBLAJCAARUVGV-UONOGXRCSA-N 449.891 4.111 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CN[C@H](c1cc(OC)c(OC)c(OC)c1)C(F)(F)F 492514787 KENJLDXWJYVYFL-GOSISDBHSA-N 430.379 4.022 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@H]1CC(=O)c1ccco1 495370698 OIMWLWATIQZJCI-MRXNPFEDSA-N 432.498 4.050 5 20 IIBD Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 498493493 WHDHNXHIDMTGOV-UHFFFAOYSA-N 439.515 4.338 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)N(Cc3ccccc3)C[C@H]2C)cc1SC 500418746 AAFSMKJBKNSEAP-HZPDHXFCSA-N 429.542 4.060 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@H]1C 500435209 IDBUODYKLCVVDF-ZWKOTPCHSA-N 443.569 4.068 5 20 IIBD Cn1cc(C(=O)N2CCC[C@@H](Oc3ccccc3Cl)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 504678949 YPTSBARUTVHNHZ-QGZVFWFLSA-N 440.887 4.332 5 20 IIBD O=[N+]([O-])c1c(NCC2(c3ccc(Br)cc3)CCOCC2)nc2sccn12 506767365 LBRSFSLCAFIZEK-UHFFFAOYSA-N 437.319 4.227 5 20 IIBD CCOc1cc(CN[C@@H]2[C@@H](C)CCC[C@H]2C)ccc1OCCn1c([N+](=O)[O-])cnc1C 507946817 ATOBHXOKRUXUIC-DTVZVWBHSA-N 430.549 4.492 5 20 IIBD O=C(NCc1ccsc1Br)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 512608705 XFYBFZNPQYTFCX-UHFFFAOYSA-N 440.319 4.172 5 20 IIBD COC(=O)COc1ccc(CNc2cc(F)c(Br)c(Cl)c2)cc1[N+](=O)[O-] 513047498 SPSZXPJSWIOEIQ-UHFFFAOYSA-N 447.644 4.314 5 20 IIBD CCN1CCN([C@H]2CCN(Cc3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)C2)CC1 513483817 GGGMAAGOCDCJHB-NRFANRHFSA-N 440.613 4.266 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)NCc2ccccc2-c2ccc(Cl)cc2)cc1[N+](=O)[O-] 513571100 FQRORRXUARQXPD-UHFFFAOYSA-N 444.896 4.249 5 20 IIBD O=C(c1cnn(-c2ccccc2F)c1-n1cccc1)N1CCCc2c1cccc2[N+](=O)[O-] 513837727 FRYNOJGZQCHKHF-UHFFFAOYSA-N 431.427 4.303 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1ccccc1)c1cc2ccccc2o1 514557185 CQOUYZYSAAPOMR-JOCHJYFZSA-N 429.432 4.494 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Sc3nncs3)cc2)c(Cl)c1 515834410 AXSRRZHEEUNWDM-UHFFFAOYSA-N 428.904 4.052 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1[N+](=O)[O-] 515848548 KEINEYNIBRMMEL-UHFFFAOYSA-N 435.845 4.203 5 20 IIBD COc1ccccc1-c1noc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)n1 517754121 FBEGPQHSDCIZBZ-JTQLQIEISA-N 436.346 4.163 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 518119532 JAHXTBNIVAADAU-FQEVSTJZSA-N 439.855 4.101 5 20 IIBD CCN(CC)C(=O)c1ccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1Cl 519098962 HAWRAXAGCFWNHR-UHFFFAOYSA-N 441.875 4.168 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 520320372 ZRZSHMCWHHDFCO-VIFPVBQESA-N 439.280 4.248 5 20 IIBD Cc1nc2ccc(NS(=O)(=O)c3cc(Br)cc([N+](=O)[O-])c3)cc2s1 521279410 CBLYRKPBZLUSRS-UHFFFAOYSA-N 428.289 4.076 5 20 IIBD CCN(CC)CC1CCN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 521801712 OBTCHSVSSPYGBK-GOSISDBHSA-N 439.560 4.357 5 20 IIBD Cc1nn(C)c(C(=O)Nc2nc(C3CC3)c(Cc3ccccc3Cl)s2)c1[N+](=O)[O-] 524266144 VUBQCVDSFJBOLM-UHFFFAOYSA-N 431.905 4.467 5 20 IIBD CCOCCCN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)[C@H](C)C1 524550884 LCSQRVVHLZTBRM-XMSQKQJNSA-N 441.528 4.254 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCC1(c2ccc3c(c2)OCCO3)CCCC1 524555853 WSLIQOTYVDSDOC-UHFFFAOYSA-N 430.888 4.190 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCN(C(=O)c3cc4occc4s3)CC2)cc1[N+](=O)[O-] 525482135 CIGOJMFQGHFIBA-UHFFFAOYSA-N 441.509 4.298 5 20 IIBD Cc1ccc(NC(=O)C2CC2)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 531261641 GQXHDVVZTLWOBY-UHFFFAOYSA-N 432.274 4.195 5 20 IIBD CN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@H](c1ccc(Cl)cc1)C(F)(F)F 532087150 CWZRQHGEOUFLHY-MRXNPFEDSA-N 439.781 4.205 5 20 IIBD O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1 532348101 FZFJNILJSMXAOQ-QGZVFWFLSA-N 432.889 4.164 5 20 IIBD CC(C)NS(=O)(=O)Cc1ccccc1CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 534144068 JHYDTIPVLIAEBP-UHFFFAOYSA-N 440.525 4.097 5 20 IIBD O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)c1cc([N+](=O)[O-])cc2c1OCCO2 536246312 WXCJKJWFLPABDW-UHFFFAOYSA-N 445.884 4.115 5 20 IIBD COc1ccc(CN[C@H](C)c2nnn(-c3cccc(Br)c3)c2C)cc1[N+](=O)[O-] 536864883 XXFOJLROUGEUBP-GFCCVEGCSA-N 446.305 4.106 5 20 IIBD O=C1NCCCN1C1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 538737013 WWBRNAHMWMIADX-UHFFFAOYSA-N 444.919 4.420 5 20 IIBD COc1ccc(CNc2nnc(Sc3ncnc4cccc([N+](=O)[O-])c34)s2)cc1 541590162 GFGGVSOXXRWWSH-UHFFFAOYSA-N 426.483 4.161 5 20 IIBD COc1cc(CNc2nnc(-c3cc(C)oc3C)o2)c([N+](=O)[O-])cc1OCC(F)(F)F 542749554 VWQSRIYZBJXXEB-UHFFFAOYSA-N 442.350 4.416 5 20 IIBD Cc1nn(-c2ccc(F)cc2)c(C)c1Cc1nc(CCNc2ccccc2[N+](=O)[O-])no1 544564391 RGTUZMVMANYPJN-UHFFFAOYSA-N 436.447 4.165 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)ccc1C(=O)NC(C)C 550313421 WRVOTFTUEGBVCL-UHFFFAOYSA-N 434.290 4.365 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(c3nnc(CC4CC4)n3Cc3cccs3)CC2)cc1 555443168 APYMQGFCJGPQGD-UHFFFAOYSA-N 439.541 4.296 5 20 IIBD CC[C@@H]1CN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C[C@H](C)[S@]1=O 557578197 OQFNJAJQGBBFIE-NSJMIIRRSA-N 449.960 4.232 5 20 IIBD O=C(c1cccc(F)c1)N1CCCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 559049374 IWLDDNXOGXAZHR-UHFFFAOYSA-N 425.382 4.101 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)N1CCC[C@H]1c1ncon1 564360880 GRCCZGIPLZOGPP-ZWKOTPCHSA-N 427.848 4.148 5 20 IIBD COc1cc(Cl)c(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1C 565800206 OEEHNSDMOQWJHB-GOSISDBHSA-N 431.876 4.117 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCC(c4nnc(O)o4)CC3)cc2[N+](=O)[O-])cc1 566587029 ACSDGQIJLITANR-UHFFFAOYSA-N 440.481 4.163 5 20 IIBD CCCOc1cc(NC(=O)N2CC[C@H](n3cc(C)cn3)C2)c([N+](=O)[O-])cc1OCCC 571811139 SPDYFKJXZUNHNE-INIZCTEOSA-N 431.493 4.156 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(-c3cccc(F)c3)on2)c(C(F)(F)F)c1 581864801 VNMGVGPCXSVRKL-UHFFFAOYSA-N 431.323 4.209 5 20 IIBD CC(C)(C(=O)NCCc1c[nH]c2cccc(Br)c12)c1ccc([N+](=O)[O-])cc1 589537780 FSCKLDXECHHVPO-UHFFFAOYSA-N 430.302 4.475 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 590550063 KZVCCNFTNDVNOA-UHFFFAOYSA-N 445.522 4.255 5 20 IIBD CCOc1cc(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)c([N+](=O)[O-])cc1OCC 593163799 VGTKMXYAZGBLIB-QGZVFWFLSA-N 430.457 4.202 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(OCc2csc(N(C(C)=O)c3ccccc3)n2)c1 603725485 SXVGMSMUJNFZFV-UHFFFAOYSA-N 427.438 4.102 5 20 IIBD COc1cc(C(=O)N2c3ccccc3CC[C@@H]2C(=O)Nc2ccccc2)ccc1[N+](=O)[O-] 608872272 MAEVIOZOCFRBBH-OAQYLSRUSA-N 431.448 4.204 5 20 IIBD CCOC(=O)CC1CCN(c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])CC1 608972584 YAJPRYWQNMGCNH-UHFFFAOYSA-N 425.485 4.325 5 20 IIBD CN(CCOc1cccc(CNc2ccc3cc([N+](=O)[O-])ccc3n2)c1)C1CCOCC1 609075145 LBVYETRRSAIRJT-UHFFFAOYSA-N 436.512 4.245 5 20 IIBD COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(OC)c([N+](=O)[O-])c2)c(OC)c1 609315896 PZETZHQXSCVFRN-QFIPXVFZSA-N 435.436 4.392 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 609467719 BBEZHMMUSFCPSK-SFHVURJKSA-N 440.283 4.064 5 20 IIBD COCCSc1ccc([C@@H](C)NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cc1 609549375 ICWJATBUKRDRFE-CYBMUJFWSA-N 427.482 4.078 5 20 IIBD Cc1noc(C)c1[C@H](C)NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 609605012 WHAHRNJIFDGYQJ-HNNXBMFYSA-N 445.479 4.472 5 20 IIBD CCn1c(SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)nnc1-c1cccc(C)c1 609749820 ARPXUNBJWUTHMO-UHFFFAOYSA-N 439.497 4.272 5 20 IIBD Cc1c(CC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)nnn1-c1ccccc1 609755375 IZIJEYROJSOUTJ-UHFFFAOYSA-N 429.436 4.457 5 20 IIBD O=C(CCNC(=O)c1n[nH]c2ccccc12)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609762684 OFHYMSVTCIYRCD-UHFFFAOYSA-N 445.435 4.022 5 20 IIBD C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 609837762 FQAIWINEZPGPIA-XLIONFOSSA-N 432.480 4.137 5 20 IIBD O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1 609880713 JGYQWYNZAWMASC-IBGZPJMESA-N 425.876 4.414 5 20 IIBD CSC[C@@H](C)N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 609901640 MLBISZVGDAZNBQ-SJKOYZFVSA-N 438.347 4.378 5 20 IIBD COc1cccc(Nc2ccccc2C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 609911415 AVBPDZZIWIWYST-KRWDZBQOSA-N 433.468 4.069 5 20 IIBD O=C(Nc1ccccc1CN1CCSCC1)c1ccc([N+](=O)[O-])cc1Br 610042353 ISWUGDBLWZIYSE-UHFFFAOYSA-N 436.331 4.158 5 20 IIBD O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 610108243 MJCUDSPZBSKYCC-UHFFFAOYSA-N 426.778 4.401 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)N(Cc1ccc2c(c1)CCO2)C1CCCC1 610403422 UIXYZLQSOLAVJY-UHFFFAOYSA-N 425.485 4.063 5 20 IIBD C[C@@H](OC(=O)c1csc(-c2ccc(O)cc2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 726646708 WLNWVYYKFFMSPD-SNVBAGLBSA-N 447.856 4.261 5 20 IIBD CCOC(=O)c1cc(C(=O)OCc2coc(-c3ccc(F)c(F)c3)n2)cc([N+](=O)[O-])c1 728617365 JLYVEOUASIZFFJ-UHFFFAOYSA-N 432.335 4.062 5 20 IIBD C[C@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)CCOC1 733122493 VBCRADXNGGWDPM-RUZDIDTESA-N 437.540 4.210 5 20 IIBD Cc1ccc(OCc2cccc(C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)c2)cn1 734055461 LAHWSNRDKJLTCD-INIZCTEOSA-N 435.436 4.061 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2CC(F)(F)F)cc1Br 742031656 WHMSJCMXFOAWOM-UHFFFAOYSA-N 439.209 4.263 5 20 IIBD C[C@H](NC(=O)c1ccccc1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 742579798 MFSWDMSGINIPDP-HNNXBMFYSA-N 437.427 4.242 5 20 IIBD C[C@H](c1ccccc1)n1cnn(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1=S 743390524 MCKULRBLKOBWIC-QGZVFWFLSA-N 439.541 4.432 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)N2CCC(c3nc4ccccc4s3)CC2)c1 745392201 VBJFKXDTUVTUTK-UHFFFAOYSA-N 439.493 4.076 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 746250711 MRYCZKRVUYFTMC-NLFFAJNJSA-N 444.506 4.409 5 20 IIBD Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C1\N=C(c2cccc([N+](=O)[O-])c2)OC1=O 746272336 CEFZEFOVUMMURL-YVLHZVERSA-N 426.791 4.226 5 20 IIBD Cc1c(C(=O)OCc2nc(-c3cccc(Cl)c3)no2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748950317 JZNIURSOQYWZMS-UHFFFAOYSA-N 432.776 4.180 5 20 IIBD COc1ccc(-n2c(SC[C@H](O)c3cccc([N+](=O)[O-])c3)nnc2-c2ccccn2)cc1 749690965 YDBNIBYEVXNFMY-FQEVSTJZSA-N 449.492 4.072 5 20 IIBD C[C@@H](OC(=O)c1cccc(Cl)c1[N+](=O)[O-])C(=O)Nc1ccc(Br)cc1 750535531 JNQJFSXGKNRKND-SECBINFHSA-N 427.638 4.195 5 20 IIBD COc1ccc2nc(C3CC3)cc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3C)c2c1 751822213 SESJWUBRQDDQOJ-UHFFFAOYSA-N 435.436 4.133 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)Nc1ccc(Br)cc1F 754985088 RPUFHKAMCXXULC-UHFFFAOYSA-N 449.591 4.084 5 20 IIBD O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1n[nH]c(-c2ccccc2)c1Br 757725686 LPJYNHBZMLGFAH-UHFFFAOYSA-N 443.213 4.246 5 20 IIBD CC(C)Cn1ncc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1C(F)F 758837946 ITUHTHNFVRNEIL-SNVBAGLBSA-N 444.822 4.222 5 20 IIBD Nn1c(SCc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1ccccc1Br 760148079 PTRBPQNXLLDIQE-UHFFFAOYSA-N 440.710 4.275 5 20 IIBD NC(=O)N[C@H](Cc1nc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)no1)c1ccccc1 761859243 UASRCWMPZZVOMO-HXUWFJFHSA-N 445.435 4.389 5 20 IIBD O=C(O)C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(Cl)c1 761895019 FOOXUNVGKOCOAJ-CYBMUJFWSA-N 429.281 4.326 5 20 IIBD COc1cc(C(=O)OCc2ccc3c(c2)COC3)c([N+](=O)[O-])cc1OCc1cscn1 762162356 LJSOZIHKTJMHDY-UHFFFAOYSA-N 442.449 4.026 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ccncc2Br)cc1)c1cccc([N+](=O)[O-])c1 763197044 YPKLRNNFUHBWBW-UHFFFAOYSA-N 442.225 4.224 5 20 IIBD C[C@H](OC(=O)c1cccnc1S[C@H](C)C(=O)N1CCCC1)c1ccccc1[N+](=O)[O-] 764597465 MKAIDURUXJJFBM-LSDHHAIUSA-N 429.498 4.011 5 20 IIBD O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1Cc2ccc(Br)cc2C1 765219457 YQOAPCWHEONANQ-UHFFFAOYSA-N 426.064 4.276 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccc(N(C)C(=O)c2ccncc2)cc1 766241045 HXVUKLOHCKXQNS-UHFFFAOYSA-N 433.468 4.205 5 20 IIBD O=C(NC[C@H](Cc1cccc2ccccc12)C(=O)O)c1cc([N+](=O)[O-])ccc1N1CCCC1 767174839 RVIWLNJOKRXBQD-IBGZPJMESA-N 447.491 4.022 5 20 IIBD Cc1cccc(-c2nc(C)c(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)[nH]2)c1 772101136 CQDTYJXAILMISY-UHFFFAOYSA-N 428.832 4.051 5 20 IIBD CC(C)(C)OC(=O)NCc1cc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)co1 780802983 UBBIJDZCUQNRHY-GOSISDBHSA-N 433.486 4.100 5 20 IIBD C[C@H](OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 781259500 FLXQHEMMIFHGGY-LLYLOPHFSA-N 432.520 4.168 5 20 IIBD CCOc1ccc(-c2nc(COC(=O)COc3ccc([N+](=O)[O-])c4cccnc34)co2)cc1 786786579 HFLHJSRHKNODPP-UHFFFAOYSA-N 449.419 4.319 5 20 IIBD O=C(NOC[C@@H]1CCOC1)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 788573332 DLPACNDEZXTGPW-GFCCVEGCSA-N 431.495 4.054 5 20 IIBD COC(=O)[C@H](OC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccsc1 788927958 ZMXXWIZPFRBKLT-ORAYPTAESA-N 441.465 4.296 5 20 IIBD Cc1cnc(COC(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)c(C)c1[N+](=O)[O-] 789431983 LSTPDYYQCWKHIL-UHFFFAOYSA-N 427.335 4.074 5 20 IIBD Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N(Cc1cccs1)C(C)C 790010474 HGFXSZDSNODZNH-UHFFFAOYSA-N 433.349 4.327 5 20 IIBD Cc1ccc(I)cc1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790569064 RVSCYSIKQCGKBG-UHFFFAOYSA-N 448.619 4.482 5 20 IIBD C[C@H](OC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(N2CCCC2)cc1 790740977 MLCOXOGECHAOMX-ZDUSSCGKSA-N 449.866 4.100 5 20 IIBD CN(CC(=O)Nc1cccc(N2CCCC2)c1)c1cc(Br)ccc1[N+](=O)[O-] 795361349 LZQFTQSOLADZTC-UHFFFAOYSA-N 433.306 4.032 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(-c3ccc(Br)o3)ncn2)c1 798237198 NPAMQHUGJHEZTG-UHFFFAOYSA-N 435.259 4.382 5 20 IIBD CC(C)(C)OC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H](c2cccc(Cl)c2)C1 801112479 UYMWNQCMKOEEMK-KRWDZBQOSA-N 434.880 4.011 5 20 IIBD C[C@H](CC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 801149859 FUXGBYKTQWQEQS-IEBWSBKVSA-N 433.549 4.269 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)Nc2ncc(-c3cccc(C)c3)s2)cc1[N+](=O)[O-] 808570032 VCVFSUJTPKBOIP-UHFFFAOYSA-N 448.482 4.006 5 20 IIBD Cc1cc(Cc2noc([C@@H]3CN(C(=O)OC(C)(C)C)CCC3(F)F)n2)ccc1[N+](=O)[O-] 809433794 RAIIPKHHQXLJHX-AWEZNQCLSA-N 438.431 4.237 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N(CC1CCOCC1)c1ccc(Br)cn1 813377274 IRWCNHRQVIMXEG-BAQGIRSFSA-N 446.301 4.225 5 20 IIBD COc1cc(Cl)cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 815459953 XGZASAJLCXJAHM-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD Cc1ccc2snc(C(=O)OCC(=O)Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2c1 815506839 LFZNGUSCXMAHBX-UHFFFAOYSA-N 439.371 4.327 5 20 IIBD C[C@@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(-n2cccn2)c(F)c1 816283160 HZTYFKRJFBUGFY-MRXNPFEDSA-N 438.459 4.440 5 20 IIBD C[C@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)N1CCN(c2ccc(F)cc2)CC1 827005636 HBTURBGCDWWBNA-ZDUSSCGKSA-N 446.529 4.173 5 20 IIBD CC(C)(C)c1ccc(NC(=O)COC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 844242862 UGJDGTKJQWYGRB-UHFFFAOYSA-N 439.512 4.291 5 20 IIBD CC(=O)NCc1ccc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cc1 919192630 IRDZRAKHRFEPOT-UHFFFAOYSA-N 448.431 4.063 5 20 IIBD Cc1cc(Br)oc1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 919379571 DZTJNUDJYSAPCW-QMMMGPOBSA-N 431.626 4.096 5 20 IIBD C[C@@H](NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C(=O)NCC(F)(F)F 1116471991 OXVFQZUWMLIOHC-LLVKDONJSA-N 431.798 4.197 5 20 IIBD CN(C)c1ccc(C2CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3N)CC2)cc1 1116950390 XMDYPSCTWCZNOK-UHFFFAOYSA-N 447.333 4.025 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1csc(Cc2ccc(Cl)cc2)n1 1317858734 SXCYUJUDMYWIJP-UHFFFAOYSA-N 445.884 4.399 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCCC[C@]32c2ccccc2)cc1OC 1319367219 CBWRFLXOWJEZAF-UUOWRZLLSA-N 440.496 4.170 5 20 IIBD COc1ccc(-c2cc(NS(=O)(=O)CCc3ccccc3[N+](=O)[O-])ccc2OC)cc1 1323207146 QDZBFRRIBLDGPT-UHFFFAOYSA-N 442.493 4.263 5 20 IIBD CCCCCn1nc(-c2nnc(-c3ccc(OC)c([N+](=O)[O-])c3)o2)c2ccccc2c1=O 1323807304 UXHIDSVLIPFSHA-UHFFFAOYSA-N 435.440 4.221 5 20 IIBD COC(=O)[C@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1Cl 1339220416 IYHRCHHMTHPTFX-MRXNPFEDSA-N 432.841 4.443 5 20 IIBD COc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2Br)c1Br 1343672985 LCFIBODSLLXVAA-UHFFFAOYSA-N 430.052 4.381 5 20 IIBD O=C(NC1(c2ccc(NC(=O)C3CCCC3)cc2)CCC1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 1787610296 OXKBAFLHYLYLPT-UHFFFAOYSA-N 447.495 4.409 5 20 IIBD CCO/C=C/C(=O)NC1(c2ccc(NC(=O)Cc3ccc(C)c([N+](=O)[O-])c3)cc2)CCC1 1790525371 UIDFAMTUTBIRHL-SDNWHVSQSA-N 437.496 4.130 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1ccc(C2(NC(=O)C3CCC3)CCC2)cc1 1791184366 SYOMUHGPHHAMEW-UHFFFAOYSA-N 425.460 4.211 5 20 IIBD C/C=C/C(=O)NC1(c2ccc(NC(=O)CSc3ccccc3[N+](=O)[O-])cc2)CCC1 1791523808 ULFBCHBJICLPCR-QHHAFSJGSA-N 425.510 4.397 5 20 IIBD Cc1cccc(Cl)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc([N+](=O)[O-])c1 1800523474 FWJWPHBNDOYFNO-BJWYYQGGSA-N 445.878 4.261 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC1CCC1)c1cc2cc([N+](=O)[O-])ccc2s1 1804204620 UNOYIVJBDCJVFS-BJWYYQGGSA-N 427.526 4.252 5 20 IIBD CC1(C(=O)N2CCCC3(CCN(C(=O)/C=C/c4ccccc4[N+](=O)[O-])CC3)C2)CCC1 1804797438 MXRYQXSHYCZYMP-CMDGGOBGSA-N 425.529 4.029 5 20 IIBD CC/C=C(\C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])[C@@H]1c1cccnc1 1813708785 WZJMJWCLFKWOTD-MOLOIUOTSA-N 448.523 4.065 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1)c1cccc2ccoc12 1821532343 FUOSJZKKAPCDRA-MRXNPFEDSA-N 449.423 4.277 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CCCC2)CC1 1826256255 UQPGTSVVUCVWPG-FQEVSTJZSA-N 443.544 4.032 5 20 IIBD Cc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3CC3)CC2)cc(Cl)cc1[N+](=O)[O-] 1830738847 VKEOTYJTWOUEBK-IBGZPJMESA-N 433.936 4.200 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2cc3c(s2)-c2ccccc2OC3)c([N+](=O)[O-])c1 9817813 JGCCTNFXOQSFSX-UHFFFAOYSA-N 440.433 4.020 5 20 IIBD C[C@@H](OC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Br)cc1 9868422 WYHUCHNMEYGLBE-LLVKDONJSA-N 448.273 4.116 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1[N+](=O)[O-] 16124920 JBFSRMMSWGTZTK-UHFFFAOYSA-N 444.309 4.442 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Sc1nnc(-c2ccccc2)o1 18055774 PCXQAJTWSOIRKD-UHFFFAOYSA-N 431.373 4.090 5 20 IIBD C[C@H](OC(=O)COc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 24840373 YBIBCQOEFASDRN-RYUDHWBXSA-N 441.267 4.090 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cccc1[N+](=O)[O-] 26342301 MUJCRIXVQWUDNH-ZDUSSCGKSA-N 429.429 4.293 5 20 IIBD Cc1ccc(OCc2nnc(SCCC(=O)Nc3ccc([N+](=O)[O-])cc3C)o2)cc1 32780090 IUCUGLDCKORMBC-UHFFFAOYSA-N 428.470 4.295 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccccc1C(=O)N1CCCC1 45748952 VVUMBYBIUDPYFL-UHFFFAOYSA-N 425.488 4.029 5 20 IIBD Cc1[nH]nc(C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccc(Cl)cc2)c1[N+](=O)[O-] 72061713 DVUNMXBUZVMVOQ-UHFFFAOYSA-N 439.859 4.011 5 20 IIBD COCC(=O)Nc1ccc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 108783073 IGMXCVVYTDYWAW-OAHLLOKOSA-N 449.467 4.000 5 20 IIBD CNc1nc(CNc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])cs1 301353253 LAJAZHHJWVDCLS-UHFFFAOYSA-N 447.542 4.123 5 20 IIBD Cc1nc(N2CCC[C@H]2c2nc(Cc3ccc(Br)cc3)no2)ccc1[N+](=O)[O-] 301656173 LCLAVUMDFIGPGK-INIZCTEOSA-N 444.289 4.376 5 20 IIBD O=C1CCCN1C[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 301754056 WMWNAYQPCSKGAW-CQSZACIVSA-N 428.798 4.438 5 20 IIBD O=C(NCc1ccc(Oc2cccnc2)c(F)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 302956583 DBVXOOIZQFZSDF-UHFFFAOYSA-N 433.399 4.037 5 20 IIBD C[C@@H](Sc1nnc(NCC(F)(F)F)s1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 303031228 XHVCVPGIUDRIRU-SSDOTTSWSA-N 432.409 4.324 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1 303688982 USNMWONRZWCFBH-NDEPHWFRSA-N 436.555 4.285 5 20 IIBD O=C(NC1(c2ccc(F)cc2)CCOCC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 409997572 JBWPMBQKVCHILH-UHFFFAOYSA-N 442.365 4.111 5 20 IIBD O=C(O)[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1ccc(OC(F)F)c(Cl)c1 426735638 GFLYVNVZQMQCHJ-INIZCTEOSA-N 439.802 4.116 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](NCC[C@@]1(O)C[C@H]2CC[C@H]1C2)c1ccccc1 427819160 QEYLEPDLUMLVAD-SSTRHAATSA-N 443.931 4.459 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCc2sccc2[C@H]1c1cccs1 429815060 YKOIJAKBMYVWIP-KRWDZBQOSA-N 447.925 4.484 5 20 IIBD Cc1ccc(C(=O)Nc2cccc(CNC(=O)COc3ccc([N+](=O)[O-])c(C)c3)c2)cc1 430403432 AHWRFDNHDJVHBV-UHFFFAOYSA-N 433.464 4.159 5 20 IIBD Cc1nn(-c2ccc(F)cc2)cc1CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 436099161 GNAVEMZWBAAYFO-UHFFFAOYSA-N 444.441 4.384 5 20 IIBD COC(=O)CCc1ccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1 436417364 FKFRTSJFNNTWOD-UHFFFAOYSA-N 436.414 4.317 5 20 IIBD Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 439808795 WQNQMRZQSWXDPL-UHFFFAOYSA-N 425.876 4.939 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C)c(Cl)c(C)c1 441856944 FTSKVOAVVQBYIH-QGZVFWFLSA-N 435.933 4.355 5 20 IIBD O=C(Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1ccc(Br)cc1[N+](=O)[O-] 442929693 GPAPAKKRFZUSKB-QZTJIDSGSA-N 435.274 4.292 5 20 IIBD CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCc1ccc(COC2CCOCC2)cc1 443881643 RZDOGYFHXARZFT-UHFFFAOYSA-N 432.448 4.218 5 20 IIBD Cn1cc([C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c2ccc(F)cc2)cn1 444330844 NUTORIQMFQRLMA-HSZRJFAPSA-N 426.451 4.073 5 20 IIBD C[C@@H](Sc1ccc(Br)cc1)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444643084 JNPAQOMGRNBTKK-SNVBAGLBSA-N 435.303 4.031 5 20 IIBD CCOC(=O)c1cccc(N(CC)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 447020630 KJTZNBBAYMNJRX-UHFFFAOYSA-N 446.403 4.006 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 448286052 STWTWWOHHSCKTH-CQSZACIVSA-N 447.944 4.150 5 20 IIBD CO[C@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 460324329 ZTERMRCBSLDXAV-MRXNPFEDSA-N 432.782 4.307 5 20 IIBD C[C@@H]1N(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2Cc2cccs2)CCC12CCOCC2 461321845 KQKXBZHGQUHCQB-INIZCTEOSA-N 439.541 4.359 5 20 IIBD C[C@H]1Cc2ccccc2CN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCO1 461659611 HHIYSORKWJLVAO-HTAPYJJXSA-N 433.512 4.374 5 20 IIBD O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 461679506 IVFQSCJOXUGSHF-XMSQKQJNSA-N 429.517 4.220 5 20 IIBD O=[N+]([O-])c1ccc(NC[C@H](c2ccccc2Cl)N2CCOCC2)cc1OC(F)F 462092773 YDFKSJNORUVOFE-QGZVFWFLSA-N 427.835 4.335 5 20 IIBD O=C1[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)CCCN1c1ccc(OC(F)F)cc1 462121644 OPTLXPYWPOKLHA-SFHVURJKSA-N 428.395 4.352 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1 466542059 LSSKIBXDKYXKDH-CQSZACIVSA-N 447.257 4.161 5 20 IIBD CS[C@H](CO)[C@H](C)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 467935528 OSIVOXJWZJKLQO-MEDUHNTESA-N 426.947 4.242 5 20 IIBD Cc1ccc2c(c1)nc(CNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])n2C 469100197 UTIFNQADTMNOLH-UHFFFAOYSA-N 438.431 4.217 5 20 IIBD CO[C@]1(C)CCCN(C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 470697654 UAEUFVSZLMCXKJ-JOCHJYFZSA-N 428.510 4.189 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)cc1OC 471556816 RRYKNFXIUYJTIH-UHFFFAOYSA-N 441.415 4.368 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1 475549086 DBADVZFHNCZAQT-HXUWFJFHSA-N 432.908 4.060 5 20 IIBD CN1CC[C@@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@@H]1c1ccc(Cl)c(F)c1 477441864 XBWFOUXZVBOWPZ-RBZFPXEDSA-N 430.867 4.291 5 20 IIBD COC(=O)[C@@H](C)NC(=O)c1ccc(N[C@H](C)c2oc3ccccc3c2C)c([N+](=O)[O-])c1 477785319 DDTWQLKLWVFBSJ-ZIAGYGMSSA-N 425.441 4.114 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)cc1SC 482050452 CPASQHJPWLYDGC-UHFFFAOYSA-N 441.465 4.101 5 20 IIBD COC(=O)c1ccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(OC(F)F)c1 484284752 XRUMHZLPVYSVPZ-UHFFFAOYSA-N 435.383 4.179 5 20 IIBD O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 484549826 FFBLEQDLUGBPRV-UHFFFAOYSA-N 427.392 4.435 5 20 IIBD CCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)[C@@H](C)Cc1ccccc1C(F)(F)F 484686697 ZBFDBWFFMNZTTR-ZDUSSCGKSA-N 426.439 4.297 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(OC(F)(F)F)cc2)cc1SC 484839728 ZMECDUOKZYMXAT-UHFFFAOYSA-N 430.404 4.496 5 20 IIBD COc1cccc(C2(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CCOCC2)c1F 487765962 MNXRJTHCWSFLDR-UHFFFAOYSA-N 430.457 4.393 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(Cl)s3)o2)c([N+](=O)[O-])c1 488858266 RJSKTFUFDFKXCE-MRVPVSSYSA-N 440.890 4.488 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 488912617 FSNKMGYJUBWJOY-UHFFFAOYSA-N 439.419 4.195 5 20 IIBD CCc1nc(CN2CCC(CNC(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)cs1 489596726 VKIJCVLKKNWLIN-INIZCTEOSA-N 445.589 4.195 5 20 IIBD Cc1cccc([C@@H](NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C(C)(C)C)c1 490475493 DVRXAIIUQKESCA-OAQYLSRUSA-N 438.528 4.158 5 20 IIBD O=C(Nc1nc2ccc(I)cc2s1)c1csc([N+](=O)[O-])c1 490945281 YUWNDMUOUUIANQ-UHFFFAOYSA-N 431.236 4.123 5 20 IIBD CCOc1cc(NC(=O)C(=O)N(C)[C@@H](c2ccccc2)C(C)C)c([N+](=O)[O-])cc1OCC 497617583 RFFJTVIFDNECIT-OAQYLSRUSA-N 443.500 4.186 5 20 IIBD Cc1ccc(NC(=O)[C@H](Oc2ccc(S(C)(=O)=O)cc2)c2ccccc2)c([N+](=O)[O-])c1 498059364 FDVNIMGAIFCPSX-OAQYLSRUSA-N 440.477 4.066 5 20 IIBD COc1ccccc1CN(C[C@H]1CCCO1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 498466425 BVORCYXHHLHDPU-LJQANCHMSA-N 447.919 4.190 5 20 IIBD COC(=O)[C@H](CNC(=O)c1cc(SC)ccc1[N+](=O)[O-])Cc1ccc2ccccc2c1 498624704 UGCCDPAHOZFXQH-SFHVURJKSA-N 438.505 4.232 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@H](C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] 500690849 WIRFUYDMJLHFKF-HNNXBMFYSA-N 431.539 4.250 5 20 IIBD O=C(c1ccccc1F)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 500715692 UZPGQYXNDUFODD-UHFFFAOYSA-N 425.485 4.420 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N(Cc1ccc(O)cc1)Cc1ccco1 502515627 JTRWJPOHQSHBNQ-UHFFFAOYSA-N 445.269 4.427 5 20 IIBD C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cnc(Sc2nccn2C)c(Cl)c1 504353859 PFZKKBYAHUPRDR-NSHDSACASA-N 429.889 4.119 5 20 IIBD C[C@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1ccc(NC(=O)c2ccncc2)cc1 505762111 GXMWDHUATVYZMN-AWEZNQCLSA-N 431.452 4.300 5 20 IIBD O=C(Nc1nnc2n1CCCC2)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 507875783 OQCNKUBOMOPQQV-UHFFFAOYSA-N 426.864 4.040 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc2c(Br)cccc2s1 508106078 ZMZCZLAJJQXPFE-UHFFFAOYSA-N 428.289 4.076 5 20 IIBD O=C(NCCCCCN1CCCC1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 508208018 ZZBYZXAKJIWBBC-UHFFFAOYSA-N 440.331 4.083 5 20 IIBD Cc1cccc(COc2ccc(CNC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)cc2)c1 509462032 HFCNCSKJHCDEAB-UHFFFAOYSA-N 434.448 4.183 5 20 IIBD C[C@]1(C2CC2)NC(=O)N(c2cccc(CNc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)c2)C1=O 515417806 CHAYWACWGGOSIQ-HXUWFJFHSA-N 448.401 4.451 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 517794706 WGRWMWLFDBVKOV-LLVKDONJSA-N 444.900 4.496 5 20 IIBD Cc1nc(NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])sc1-c1nc2ccccc2n1C(F)F 518726549 ROYSTLRDGJMHOC-UHFFFAOYSA-N 433.400 4.055 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 519566224 VJPFNKORZIRPJQ-KRWDZBQOSA-N 441.362 4.107 5 20 IIBD COc1cc(OCC(=O)N2CCC(Oc3ccc(C(C)C)cc3)CC2)ccc1[N+](=O)[O-] 519978580 UHYDFWSGFUYQET-UHFFFAOYSA-N 428.485 4.176 5 20 IIBD Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 520822817 JZRIEZVVEMTIMI-UHFFFAOYSA-N 445.947 4.251 5 20 IIBD C[C@H]1CCCCN1Cc1ccccc1CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 521466662 HLSRAECYYXMWSO-SFHVURJKSA-N 433.512 4.085 5 20 IIBD O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@@H]1C[C@@H]1c1ccc(Br)cc1 522357521 SFFOKJZZPBPRRR-HZPDHXFCSA-N 427.258 4.490 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 522651844 NKROXKMSEPQIOJ-MUUNZHRXSA-N 436.555 4.285 5 20 IIBD COC(=O)[C@@H](C)NC(=O)c1ccc(N[C@@H](C)c2cccc(Cl)c2Cl)c([N+](=O)[O-])c1 522760166 UJFFBOBBUQOODH-WDEREUQCSA-N 440.283 4.366 5 20 IIBD C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(OCc2cccnc2)cc1 524641931 ZWCKVRQBNJPUTG-CQSZACIVSA-N 447.900 4.262 5 20 IIBD CN(CC1(c2ccc(Br)cc2)CC1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 524974564 JIVBEXWRANSMIN-UHFFFAOYSA-N 432.318 4.273 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N(Cc1cccnc1)Cc1ccco1 530784894 USPFWBHBWPEFQC-UHFFFAOYSA-N 430.258 4.117 5 20 IIBD C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 532662933 SZHYPDPHVNVPCS-HNNXBMFYSA-N 427.892 4.177 5 20 IIBD CN(CC(=O)NCc1cccs1)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 539831578 FXSDKEKBPJFMBD-UHFFFAOYSA-N 429.473 4.336 5 20 IIBD Cn1cc(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 541242968 JKMYPQTWNGHINX-QGZVFWFLSA-N 434.422 4.048 5 20 IIBD CC(C)Cc1ccc(C(=O)C2CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)cc1 541280484 CHOKREZLRMNUPP-JOCHJYFZSA-N 440.540 4.128 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1nc(-c2ccccc2)cs1 541659999 DAOUBFQKNCQOME-ZIAGYGMSSA-N 426.498 4.405 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H](Cc2cccc(F)c2)c2cccc(F)c2)cc1 542255095 YKNZTZPOPBZXCO-JOCHJYFZSA-N 446.475 4.220 5 20 IIBD C[C@@H]1CSc2ccc(Cl)cc2N(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 542330617 MAZUJKXDRLDPNV-LBPRGKRZSA-N 429.889 4.218 5 20 IIBD CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F 543583666 ZDZMDUIOCUEALT-VQIMIIECSA-N 429.492 4.056 5 20 IIBD Cc1ccccc1CNc1ccccc1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 543944189 CTZYJBPQIPCDAS-UHFFFAOYSA-N 428.452 4.348 5 20 IIBD Cn1ccc(CCNC(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)n1 544875337 FGAZNDAHODPNLI-SAPNQHFASA-N 447.520 4.228 5 20 IIBD C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 545458284 ZBVIYYNWAZOUQG-IEGACIPQSA-N 429.439 4.085 5 20 IIBD CCOC(=O)[C@H](NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc(OC)c(F)c1 549553932 JKARCSCAAVJUSF-QGZVFWFLSA-N 430.354 4.155 5 20 IIBD CC(C)[C@H]1C[C@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)CCO1 552854083 WSKIMRUBHVZSPN-CZUORRHYSA-N 449.554 4.066 5 20 IIBD C[C@]1(c2ccccc2)CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 553179721 JDWXUSPVTDQBCN-MBSDFSHPSA-N 441.553 4.231 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CN3CCc4cc(Br)cc(F)c4C3)n2)c1 553406687 IXWFIOWVMGUHSR-UHFFFAOYSA-N 433.237 4.105 5 20 IIBD CC(=O)N1CCN(Cc2ccc(NCc3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)CC1 558063366 IXENTYCGMHKNJX-UHFFFAOYSA-N 434.496 4.131 5 20 IIBD CC(C)c1ccc(C(=O)Nc2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)cc1[N+](=O)[O-] 560128862 RSVVQTNGTPZPBW-QHCPKHFHSA-N 436.468 4.195 5 20 IIBD CC(C)N1CCN(c2cccc(N[C@H](c3cccc([N+](=O)[O-])c3)c3nccn3C)c2)CC1 560550551 XRSSLZFJGZSICY-HSZRJFAPSA-N 434.544 4.060 5 20 IIBD CCN(CC)CCNC(=O)c1cc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1Cl 562400987 JMIRVGNPNFEALZ-HNNXBMFYSA-N 446.935 4.062 5 20 IIBD COC(=O)c1cnc(N2CCc3nc(-c4ccccc4Cl)sc3C2)c([N+](=O)[O-])c1 567539402 AKUNHWPNGWPQOY-UHFFFAOYSA-N 430.873 4.116 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C)c2c1CCCN2 569444446 XVETZKAJCPABCD-UHFFFAOYSA-N 429.498 4.169 5 20 IIBD COC(=O)c1nc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)sc1C(C)C 573165726 ONFUDMDIQVIJTP-UHFFFAOYSA-N 435.505 4.160 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 573818716 NUCROIISZHEROW-IBGZPJMESA-N 438.509 4.102 5 20 IIBD COc1ccc([C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])c2ccc(C(F)(F)F)cc2)cc1 574009091 XVVWSGWEMRCIHP-QGZVFWFLSA-N 446.385 4.318 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1CNCc1cccc(-c2nc(CC(F)(F)F)no2)c1 574964709 SDXQMLUNIJBDOY-UHFFFAOYSA-N 436.390 4.438 5 20 IIBD Cc1ccc(NCCCNC(=O)N[C@@H]2c3ccccc3CC23CCOCC3)c([N+](=O)[O-])c1 577253831 YTFQYDKQKJEWIS-JOCHJYFZSA-N 438.528 4.099 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccc(OC2CCCCC2)cc1 589396572 JKIYWLPLCOSQSA-UHFFFAOYSA-N 425.485 4.124 5 20 IIBD C/C(=C\c1cc(I)cc([N+](=O)[O-])c1)c1nc(O)c2ccsc2n1 589554454 XFJCIJSOABUFEO-XBXARRHUSA-N 439.234 4.470 5 20 IIBD C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 590060482 RRKSWFOPHQCGSS-MRXNPFEDSA-N 438.553 4.388 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCO[C@@H](c4ccc(F)c(F)c4)C3)cc2[N+](=O)[O-])CC1 608964695 MVKGUGWBHSTECA-JOCHJYFZSA-N 445.466 4.323 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 608965166 SHGKFFNZZUAZDO-LJQANCHMSA-N 447.278 4.301 5 20 IIBD COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 609130139 HUYBCRBLZDGIBM-UHFFFAOYSA-N 436.464 4.463 5 20 IIBD CCNc1nc(SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)nc2ccccc12 609750207 BIOSQIZJRDAPAC-UHFFFAOYSA-N 425.470 4.060 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C1(S(=O)(=O)c2ccccc2)CC1 609762791 UPYUMZPBJTYIHU-UHFFFAOYSA-N 438.461 4.332 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1ccc(N2CCc3ccccc3C2)nc1 609784313 NLQHHKPDLKOGAZ-UHFFFAOYSA-N 436.899 4.065 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(NC(=O)CN2CCCCCC2)c1 609785945 UCXZHCUFBSTXAA-UHFFFAOYSA-N 444.919 4.244 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@H]1CSc2ccccc21 609805707 CCMIDOZJNSUGIV-AWEZNQCLSA-N 426.420 4.172 5 20 IIBD COC(=O)C(C)(C)c1ccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 610189593 GUEVZMAMKAIBAD-UHFFFAOYSA-N 425.466 4.421 5 20 IIBD CCOC(=O)c1cc(C(=O)N(CC)Cc2cccc(-c3ccncc3)c2)cc([N+](=O)[O-])c1 610191662 TVLDDVJUPNVPBE-UHFFFAOYSA-N 433.464 4.496 5 20 IIBD CN(C)C(=O)Nc1cccc(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 610200499 FOKJOHAMZPVLFF-UHFFFAOYSA-N 447.495 4.230 5 20 IIBD Cc1ccnc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SC3CCCC3)CC2)c1 611207386 PCPQTIDZYXVDAC-UHFFFAOYSA-N 426.542 4.295 5 20 IIBD CN1C(=O)CCc2cc(NC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])ccc21 618651726 LTOGUSZGYIRDTC-UHFFFAOYSA-N 431.448 4.335 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(Cc1cc(F)ccc1F)c1ccccc1 619484454 YVECRIZMUZYHAW-UHFFFAOYSA-N 434.420 4.277 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@@H](c1ccncc1)c1ccc(Cl)cc1 619489142 HUZNINGHDKIAEW-LJQANCHMSA-N 447.900 4.062 5 20 IIBD O=[N+]([O-])c1cccc(-c2ncn(CNC3(c4ccc(Br)cc4)CCC3)n2)c1 725772043 CUCCPARRWSBQKG-UHFFFAOYSA-N 428.290 4.242 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCc2c(ccc(Cl)c2Cl)C1 726184543 UVBQIPHZGKPHMW-UHFFFAOYSA-N 426.212 4.159 5 20 IIBD CCN(C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)[C@@H]1CCCC[C@@H]1C 727323403 XNFWRJLXLWTOPF-HRAATJIYSA-N 446.525 4.403 5 20 IIBD Cn1c(-c2cccc(OC(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)c2)nc2ccccc21 728226166 XDRBSVMHTGFADZ-UHFFFAOYSA-N 427.420 4.104 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(NC(=O)c2ccsc2)cc1 728935276 CDWFMQQJEGAASE-UHFFFAOYSA-N 432.479 4.239 5 20 IIBD CC1CCC(N(C(=O)c2ccc(I)c([N+](=O)[O-])c2)C2CC2)CC1 729262502 UETHJHNNXYQUJF-UHFFFAOYSA-N 428.270 4.383 5 20 IIBD COc1ccccc1C[C@@H](C)CC(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 730653854 IXZUROQNWXOGDR-KGLIPLIRSA-N 434.876 4.396 5 20 IIBD CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)OCCOc1cccc([N+](=O)[O-])c1)O[C@H](C)C2 730658733 YXIGKTHSYCYNRE-WNYOCNMUSA-N 427.453 4.043 5 20 IIBD COC(=O)[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])Cc1cccc2ccccc12 733178996 WLVYURFEJXGGLY-INIZCTEOSA-N 426.856 4.163 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1 735645041 ZZXSIIVFEBQTCX-UHFFFAOYSA-N 446.887 4.170 5 20 IIBD CN1C(=O)CC[C@H](COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc(Cl)c1 740599070 STZAXAQQFHGHFH-GPYIFTPPSA-N 428.872 4.414 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(CCc3nc(-c4ccccc4)no3)CC2)c(C(F)(F)F)c1 740876286 PDSOIIDKHQLOLB-UHFFFAOYSA-N 447.417 4.028 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1)[C@H]1CCOC1 741961254 CDOBGFXLKOFASB-NQIIRXRSSA-N 437.540 4.209 5 20 IIBD O=C(CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Nc1ccc(N2CCCCC2)cc1 744421432 GEIKBZZUYSCBAA-UHFFFAOYSA-N 438.528 4.067 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)N[C@@H](C)c1ccc(F)cc1 747120079 WYFNSXZQXHMABV-QWRGUYRKSA-N 428.338 4.175 5 20 IIBD O=C(COC(=O)c1ccc(Br)cc1[N+](=O)[O-])Nc1ccc(C(F)(F)F)cc1 750826607 ZLZKWVFVMUFUCI-UHFFFAOYSA-N 447.163 4.172 5 20 IIBD Cc1nc(Cl)ccc1C(=O)O[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 751772868 RICXJFQWFCHRMY-LLVKDONJSA-N 446.872 4.259 5 20 IIBD Cc1cc(F)cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-] 752554695 OXWLPRWCPLLUBS-JTQLQIEISA-N 430.310 4.125 5 20 IIBD C[C@H](NC(=O)Nc1ccc(OCCNC(=O)OC(C)(C)C)cc1)c1cccc([N+](=O)[O-])c1 752857922 MBPRCXHKYWYRFI-HNNXBMFYSA-N 444.488 4.381 5 20 IIBD Cc1c(Br)cc(C(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 753655832 AGVGGQFBFBHGIM-OAHLLOKOSA-N 447.207 4.148 5 20 IIBD CC(=O)N1CCc2sc(C(=O)CSc3nc4ccc([N+](=O)[O-])cc4s3)cc2C1 754723019 IFVIXNCUTDJSJF-UHFFFAOYSA-N 433.536 4.146 5 20 IIBD O=C(COC(=O)Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccc2ccccc2c1 756525240 IICFZGPEXKQFDN-UHFFFAOYSA-N 443.253 4.235 5 20 IIBD COc1cc(CNC[C@](C)(O)c2ccc(F)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 758600051 LZMKMZZFBIIDKM-DEOSSOPVSA-N 440.471 4.319 5 20 IIBD C[C@@H](OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)N[C@H](C)c1cc2ccccc2o1 758732633 QPEWADKVRLVXFA-ZIAGYGMSSA-N 435.436 4.174 5 20 IIBD COc1cccc(C=C2CCN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])CC2)c1 760495097 VHFWIRDFEPQOJO-UHFFFAOYSA-N 438.452 4.284 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc(Cn2cnc3sc(-c4ccccc4)cc3c2=O)n1 762072641 WSRBHKDQFOBSLR-UHFFFAOYSA-N 445.460 4.440 5 20 IIBD Cc1nccn1CCCOC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 763114251 GNTYXYGPBIVNRK-UHFFFAOYSA-N 427.844 4.231 5 20 IIBD O=C(N[C@@H]1CC[C@@H]2SCCS[C@@H]21)c1cc(Br)cc([N+](=O)[O-])c1Cl 763180608 GRBRADDLFHXGPI-SUZMYJTESA-N 437.768 4.120 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCO[C@H](c3ccccc3F)C2)c1=S 764963583 PVAOMYNJYWBMJQ-IBGZPJMESA-N 443.504 4.179 5 20 IIBD CC(C)(C)OC(=O)N1CCC(CCC(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 766235711 FNHKQHPFCXBVBI-UHFFFAOYSA-N 433.461 4.207 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)Oc1ccc(-c2cnc3ccccc3n2)cc1 766835987 UYWCCKKDQYUYIC-UHFFFAOYSA-N 435.461 4.156 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCC(CO)(Cc2ccccc2)CC1 767442417 SIHAVCMNUCOCMN-UHFFFAOYSA-N 439.390 4.343 5 20 IIBD COc1cc(CNc2ccc3c(c2)NC(=O)CO3)c([N+](=O)[O-])cc1OCc1ccccc1 770480129 FFDHKSBCKAQBEJ-UHFFFAOYSA-N 435.436 4.125 5 20 IIBD COc1cc(/C=C(\C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c2ccccc2)ccc1O 771922877 QHBLKLZMGQVWSG-QNGOZBTKSA-N 433.464 4.078 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 772308951 DQTGTIVDDKAZBR-YPMHNXCESA-N 431.411 4.131 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cnc(Cc2ccccc2F)s1 772824197 HSSNCVIEWYMZQF-UHFFFAOYSA-N 440.412 4.188 5 20 IIBD C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 775189642 CUFQGFNNRFKEBE-CHWSQXEVSA-N 441.469 4.304 5 20 IIBD O=C(Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1)c1ccn(C(F)F)n1 776078054 SSBSWOSPVWVLLG-UHFFFAOYSA-N 427.319 4.179 5 20 IIBD Cc1cc(C(=O)COC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)on1 777035539 ICZNLOOLDVEQDR-UHFFFAOYSA-N 429.816 4.196 5 20 IIBD CSc1cccc(C(=O)OCC(=O)Nc2ccc(N3CCCCC3)cc2)c1[N+](=O)[O-] 777073835 DQVMBVZAVZKROL-UHFFFAOYSA-N 429.498 4.103 5 20 IIBD O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 777972258 RGLWFGNLGAURCX-UHFFFAOYSA-N 449.417 4.251 5 20 IIBD Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] 778147255 MWTWMAOLHYVGBA-UHFFFAOYSA-N 433.392 4.100 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 778164867 DKXKEKFYDXUSPA-LLVKDONJSA-N 442.802 4.227 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)OCc2ccc(CO)cc2)cc1[N+](=O)[O-] 778739823 RYSCHCTWWRTUSN-UHFFFAOYSA-N 437.473 4.397 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2csc(Cc3cccc(F)c3)n2)cccc1[N+](=O)[O-] 780184769 QACAJFFGPDBMNB-CYBMUJFWSA-N 443.456 4.274 5 20 IIBD O=C(NC[C@H](O)c1ccc(Cl)cc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 780338472 IUOUCTDUUSWVOX-IBGZPJMESA-N 428.822 4.076 5 20 IIBD O=C(NC[C@@H](O)c1cccc(C(F)(F)F)c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 780911503 MLYWXNPOYVWFSQ-HXUWFJFHSA-N 426.394 4.164 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(COC(=O)c2cnc3ccccc3n2)cc1OC 781655067 ZTDGCGOWBLZMOL-AWEZNQCLSA-N 425.441 4.329 5 20 IIBD CCOc1ccc(C(C)(C)C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1OCC 783294016 YJVWBBSJKXJAPT-UHFFFAOYSA-N 445.468 4.280 5 20 IIBD C[C@H](OC(=O)c1c(Cl)ccc(Cl)c1N)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 785614818 LGZNIZCJEQTDTM-ZETCQYMHSA-N 432.647 4.321 5 20 IIBD O=C(Nc1ccc(Oc2ccc(Cl)nn2)cc1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 787410464 GVZXWPHBSDIZJZ-UHFFFAOYSA-N 441.831 4.126 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Oc2cccc(-c3nccs3)c2)ccc1Br 790458726 YPMNTJLXCQFWGL-UHFFFAOYSA-N 441.284 4.249 5 20 IIBD COc1ccc(OS(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)cc1[N+](=O)[O-] 790899271 VJPDUVYEDRDNGN-UHFFFAOYSA-N 426.859 4.148 5 20 IIBD CC(C)Oc1ccccc1CC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791173411 TXXDOZRCLPDKDB-UHFFFAOYSA-N 433.302 4.272 5 20 IIBD CC(C)c1noc2nc(C3CC3)cc(C(=O)OCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c12 791728536 IUSHTVZRIMJQFZ-UHFFFAOYSA-N 426.385 4.397 5 20 IIBD Cc1ccc(OC(F)F)c(COC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 795367334 CXWGBYZLSKHGEA-SFHVURJKSA-N 448.422 4.161 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 796390945 PNCBZGMNLWWPFP-LSDHHAIUSA-N 438.358 4.087 5 20 IIBD O=C(OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])C1CC(c2ccc(F)cc2)C1 796865232 TVRZRLHSPGQKIV-FAFZWHIHSA-N 426.444 4.076 5 20 IIBD Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 799035720 JQIYVRWIEXACFS-UHFFFAOYSA-N 427.354 4.177 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 801902953 SPZXQTGGMQFVFN-UHFFFAOYSA-N 428.807 4.474 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 803535623 FFMKFNPCGHXDJJ-JOCHJYFZSA-N 431.895 4.054 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2c(F)cc(C(F)(F)F)cc2F)cccc1[N+](=O)[O-] 811416757 PBXIKDWVWMLHLX-VIFPVBQESA-N 432.301 4.384 5 20 IIBD CC(C)(C)OC(=O)N1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)c2ccccc21 813278630 NIAMDPBVZTXWGG-UHFFFAOYSA-N 429.498 4.475 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)C1 814429973 ZOTMWFPUNJEVAO-PMACEKPBSA-N 445.560 4.413 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)CC1 820537579 ZHNSLGQTCDSPKQ-BGYRXZFFSA-N 434.540 4.040 5 20 IIBD CCn1c(SCC(=O)Oc2cc([N+](=O)[O-])ccc2OC)nnc1-c1ccc(Cl)cc1 899568912 HNADVZMUIZHREY-UHFFFAOYSA-N 448.888 4.233 5 20 IIBD COc1cc(CCNC(=O)Nc2cccc(C3SCCS3)c2)c([N+](=O)[O-])cc1OC 915331761 OLCQXBFLJFFAMQ-UHFFFAOYSA-N 449.554 4.455 5 20 IIBD C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 919407228 QKYODRVDNPFJQH-ZDUSSCGKSA-N 434.876 4.495 5 20 IIBD CCOC(=O)N(C)c1ccc(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1 919770506 UOMUSUIIHZRTCF-UHFFFAOYSA-N 439.371 4.050 5 20 IIBD O=[N+]([O-])c1ccc(CNC[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 1262596119 SOWPBQLRZPMPJF-JOCHJYFZSA-N 428.435 4.130 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1csc(Cc2ccc(Cl)cc2)n1 1317887366 LCKDIAYXZXYPGF-UHFFFAOYSA-N 445.884 4.399 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 1319482087 JDKUEQZPGIZVTN-KGLIPLIRSA-N 427.892 4.331 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Br)c1ccc(CSc2nc[nH]n2)cc1 1320371074 SRSDVUBTUZWVCJ-UHFFFAOYSA-N 449.286 4.125 5 20 IIBD Cc1ccccc1-c1nc(C)c(C(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)s1 1325786566 WBGZCFOOLNIZRB-UHFFFAOYSA-N 436.537 4.293 5 20 IIBD O=C(/C=C/C1CCCCC1)NC1(c2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)CCC1 1789689668 XPTHUHNNONSIPP-KPKJPENVSA-N 437.500 4.202 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(Cl)c1)C2 1800699977 RNDYAWPSCQQFRG-BJWYYQGGSA-N 445.878 4.261 5 20 IIBD CC/C=C(\C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(F)ccc([N+](=O)[O-])c2C)[nH]n1 1823097284 PWVVEAKXPBQNGY-JQTSXJCQSA-N 443.479 4.428 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cc([C@H]2CCCCN2C(=O)C2=CCCC2)[nH]n1 1823500809 LCMPZLRZYBAIDH-DRUFCSCSSA-N 435.484 4.134 5 20 IIBD CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])CC2)CC1 1826245805 XPIWTBXYINPAQR-XTXLJPNXSA-N 425.529 4.028 5 20 IIBD C[C@@H]1C[C@@]1(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1830216021 HVGYBZQOHJVOMN-YBGOQADZSA-N 441.572 4.193 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccc(SC(F)F)cc1 10764482 HWYNIUHVFAROGA-SNVBAGLBSA-N 426.397 4.102 5 20 IIBD Cc1ccc(-c2csc(NC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)n2)s1 11515502 BFMDNUUYGRKXEK-UHFFFAOYSA-N 444.494 4.415 5 20 IIBD Cc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1[N+](=O)[O-] 15410315 NHUOBSDSXBCNOD-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD NC(=O)N[C@H](CC(=O)OCc1cccc([N+](=O)[O-])c1)c1cccc(Oc2ccccc2)c1 21096909 UBJVNUAABGNXRF-OAQYLSRUSA-N 435.436 4.230 5 20 IIBD COC(=O)c1ccoc1COC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(C)cs1 23454095 CSKFSPSXKQGUOI-UHFFFAOYSA-N 434.451 4.248 5 20 IIBD C[C@@H](NC(=O)COC(=O)CSc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl 25065434 NZQPFSCXRLPBSX-LLVKDONJSA-N 443.308 4.414 5 20 IIBD Cc1cc(NCC2(c3ccc4c(c3)OCO4)CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 60861653 OAHOGLJXITUSKL-UHFFFAOYSA-N 448.479 4.249 5 20 IIBD C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)[C@@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)c2)C1 63265239 AXELSFKAOSUNMI-YVHKJVDXSA-N 439.512 4.447 5 20 IIBD O=[N+]([O-])c1cc2c(c(CN3CCC[C@@H](c4nc(-c5ccc(F)cc5)no4)C3)c1)OCOC2 110474904 LKBLYZIHNKGNQI-OAHLLOKOSA-N 440.431 4.030 5 20 IIBD O=C(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)N(CCc1ccccc1)Cc1ccccc1 116769903 TXFYVWLBSQPTJW-UHFFFAOYSA-N 441.491 4.125 5 20 IIBD CCOc1cccc(N2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn34)C2)c1[N+](=O)[O-] 302216379 JNZPQJJRMNXPDL-CYBMUJFWSA-N 435.406 4.439 5 20 IIBD CC(C)(CO)[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1 425923891 ULYCRARBKBYYMG-SFHVURJKSA-N 439.434 4.215 5 20 IIBD O=C(O)[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1ccc(-c2cccc(F)c2F)o1 426741387 FEXVPRIHCHBWOZ-IBGZPJMESA-N 441.390 4.400 5 20 IIBD CC(C)(NC(=O)c1cc(O)nc2c(Br)cccc12)c1ccc([N+](=O)[O-])cc1 430525392 NSKNBYVRHPBNGE-UHFFFAOYSA-N 430.258 4.276 5 20 IIBD CC1(C)CC(C)(C)c2cc(NC(=O)c3ccc(N4C(=O)CCC4=O)c([N+](=O)[O-])c3)ccc21 436022009 LHDKOXVKBMHZFB-UHFFFAOYSA-N 435.480 4.459 5 20 IIBD Cc1cc(=O)nc(-c2ccc(NC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)cc2)[nH]1 436315946 HWIDMHDFKBDXME-UHFFFAOYSA-N 440.434 4.131 5 20 IIBD CC[C@@H](CSc1ccccc1[N+](=O)[O-])Nc1cccc(N2CCN(C(C)=O)CC2)c1 437071296 XXOPFQROSZFLGH-SFHVURJKSA-N 428.558 4.246 5 20 IIBD COCCn1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Nc2cccc(C(F)(F)F)c2)n1 439142861 SEFHZJGIGGOFID-UHFFFAOYSA-N 449.389 4.452 5 20 IIBD Cn1cccc1CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 439579676 HUWZSOJTLJBFIU-LJQANCHMSA-N 443.301 4.165 5 20 IIBD Cc1ccc(-c2cc(NC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)n[nH]2)s1 444690101 IUBLCNMVCUUZGZ-UHFFFAOYSA-N 436.443 4.972 5 20 IIBD O=C(N[C@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1)c1cc2ccccc2o1 447195494 RJPNOBDDXAGPHP-AWEZNQCLSA-N 431.395 4.341 5 20 IIBD Cc1ccsc1-c1nnc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1C[C@H]1CCOC1 461706524 KYTLOALVBXZJFG-MRXNPFEDSA-N 439.541 4.429 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 462338124 VVRVBQRUKXPPNF-LBPRGKRZSA-N 433.288 4.294 5 20 IIBD CCCN1C(=O)C2(CCCCC2)N[C@@H]1c1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] 463026825 APDUXGRBUSTINE-KRWDZBQOSA-N 445.438 4.088 5 20 IIBD CS(=O)(=O)c1cccc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)c2ccc(Cl)cc2)c1 464368811 VPLGAAYOBNOMQC-HXUWFJFHSA-N 444.896 4.171 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CC[C@@H](c3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] 466895072 XNBFZIOZWOUTHY-JXHRLWIKSA-N 435.524 4.303 5 20 IIBD O=C(NCc1ccco1)Nc1ccc(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 467329016 FJGZOFSFRXREAM-UHFFFAOYSA-N 443.847 4.485 5 20 IIBD O=C(N[C@H]1CCc2c[nH]nc2C1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 468064554 IDWPAUPYALQSMM-AWEZNQCLSA-N 428.901 4.410 5 20 IIBD COc1cc(C(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)ccc1[N+](=O)[O-] 468585358 KZTKUHGGZATTJH-INIZCTEOSA-N 434.290 4.083 5 20 IIBD Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 471857430 CPODVMFTRNLZCR-SFHVURJKSA-N 434.500 4.063 5 20 IIBD COCCC[C@H](Cc1ccccc1)NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 472461201 XLWIZYDEZZAOJO-HXUWFJFHSA-N 441.528 4.186 5 20 IIBD CC(C)(C)OC(=O)CCc1cccc(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 472934630 ZEJCVLYEDAQZOC-UHFFFAOYSA-N 447.875 4.100 5 20 IIBD CC1CCN(c2ccc(C(=O)NC3CCN(C4CCCCC4)CC3)cc2[N+](=O)[O-])CC1 473519937 BQIBEMWQCLGYMX-UHFFFAOYSA-N 428.577 4.358 5 20 IIBD CCC[C@H](NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)C(=O)N1CCc2sccc2C1 475636667 HYJICDPXNRXLRL-INIZCTEOSA-N 430.530 4.148 5 20 IIBD C[C@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1ccc(Br)cn1 477771412 CQQPNYKQTSSEAN-NSHDSACASA-N 440.272 4.469 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1cccc(OC(F)F)c1 480678860 SFLOPIALIDXHET-LBPRGKRZSA-N 426.441 4.426 5 20 IIBD C[C@]1(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCCC[C@H]1O 480988812 OITLUCBFPGASHY-RCZVLFRGSA-N 448.523 4.047 5 20 IIBD Cc1ccc(C(=O)N[C@H](CC(=O)NCc2cccc([N+](=O)[O-])c2C)c2ccccc2)cc1 481466566 NBPCKFZESIEGRC-JOCHJYFZSA-N 431.492 4.389 5 20 IIBD CCOc1cc(N2CCN([C@H](C)c3nnc(-c4ccc(C)cc4)o3)CC2)ccc1[N+](=O)[O-] 481760928 LRDHNAAIHUMHFL-QGZVFWFLSA-N 437.500 4.235 5 20 IIBD CN1CCC(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CC1 484684333 UHYPONTVEYIUQO-UHFFFAOYSA-N 430.936 4.274 5 20 IIBD Cc1nn(CCC(=O)N(Cc2ccccc2Br)CC(C)C)c(C)c1[N+](=O)[O-] 484845550 HCRWFZWMVXSUGP-UHFFFAOYSA-N 437.338 4.246 5 20 IIBD O=C(Cc1ccc(F)cc1Br)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 486417317 ORKHLMWSZHIXJS-QGZVFWFLSA-N 425.279 4.313 5 20 IIBD COc1cc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)sc1Br 486720045 IOCIEJRSJDEVRB-UHFFFAOYSA-N 439.209 4.376 5 20 IIBD Cn1nccc1N1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 487446949 DRHNEWIBIYSLRP-QGZVFWFLSA-N 443.573 4.009 5 20 IIBD CC(C)N(Cc1cccc(F)c1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 488943110 QIEIQUNFYXTOMB-UHFFFAOYSA-N 431.283 4.096 5 20 IIBD O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1ccc([N+](=O)[O-])c2cccnc12 499726365 PBRBIWKUDFIWKJ-NRFANRHFSA-N 440.459 4.123 5 20 IIBD CN(Cc1ccco1)Cc1ccccc1CN=c1c(Br)c[nH]cc1[N+](=O)[O-] 500274928 FOTFVWBJOGUQLB-UHFFFAOYSA-N 431.290 4.011 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2 503627698 NSKOBRGMTFARRC-IRXDYDNUSA-N 447.438 4.014 5 20 IIBD CC[C@@H](CC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1 504495086 CJUONVXCONXOKA-AWEZNQCLSA-N 445.522 4.407 5 20 IIBD COCCN(C(C)=O)c1nc(COc2ccc(-c3ccccc3)cc2[N+](=O)[O-])cs1 504570998 QCBMYQCQHNVXBD-UHFFFAOYSA-N 427.482 4.297 5 20 IIBD O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1cc(O)cc([N+](=O)[O-])c1 505736772 SHCWFRFGRMFIDU-UHFFFAOYSA-N 447.856 4.007 5 20 IIBD CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 506784224 ZSZFIJRXQJBUTO-UHFFFAOYSA-N 442.449 4.139 5 20 IIBD CCc1cc(N2CCc3c(cnn3-c3ccccc3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 507109794 GWVIJKLOBUAEPF-UHFFFAOYSA-N 426.480 4.363 5 20 IIBD COc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)c(C)c1 509507029 LKGBBPIGSNCEEU-UHFFFAOYSA-N 426.210 4.077 5 20 IIBD C[C@H]1c2cccc(Br)c2CCN1C(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 509921631 ALONXGZQGNZHBG-NSHDSACASA-N 442.269 4.371 5 20 IIBD CCN(Cc1ccc(OC)c(OC)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 510860507 LEYZAIAHLVFKFU-UHFFFAOYSA-N 425.388 4.267 5 20 IIBD O=[N+]([O-])c1cc(CN2CCN(Cc3cscn3)CC2)ccc1Oc1ccc(F)cc1 511505506 LRQGOGKAWZJXFQ-UHFFFAOYSA-N 428.489 4.301 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCc3ccc(-c4ccccc4)cc32)cc1[N+](=O)[O-] 513823337 SNYYUUIOJTXMAQ-FQEVSTJZSA-N 436.489 4.083 5 20 IIBD Cc1ccc(OCCCC(=O)Nc2ccc(CNc3c([N+](=O)[O-])c(C)nn3C)cc2)cc1 515550757 HENYGTSCRUSBNC-UHFFFAOYSA-N 437.500 4.355 5 20 IIBD COC(=O)c1ccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c(OC(F)F)c1 517666146 VIHFPASBWGGAFJ-UHFFFAOYSA-N 449.391 4.359 5 20 IIBD CN(c1ccccc1)c1ccc(CNC[C@@H](O)COc2ccc(F)cc2)cc1[N+](=O)[O-] 518778157 BEEYJHSJPMSGIL-HXUWFJFHSA-N 425.460 4.031 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCC(C)(C)N[C@@H](C)c3ccccc3)cc2)c(C)c1[N+](=O)[O-] 520980773 WGAUJLGRSZYBMB-KRWDZBQOSA-N 449.555 4.316 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)cc1C 521286342 PTDUZKMVONTTBI-UHFFFAOYSA-N 426.498 4.212 5 20 IIBD O=C(Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 521336020 SRMRYDLWCHROFM-UHFFFAOYSA-N 443.398 4.110 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(CN2C(=O)CCCC2=O)cc1 522043720 PKIUSWXMVORVPQ-UHFFFAOYSA-N 438.484 4.076 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCc2ccc3c(c2)CCO3)c([N+](=O)[O-])c1 522286262 SEDHWICWLHTHQW-UHFFFAOYSA-N 432.432 4.159 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1CNC(=O)Nc1ccccc1 523243367 GJHWJVFOQRFDQO-APWZRJJASA-N 442.541 4.278 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H]1c1cccc2c1OCCO2 524067138 ZOSMUWHJZUXKNQ-SFHVURJKSA-N 437.477 4.467 5 20 IIBD COc1ccccc1Oc1ccc(CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)cc1 524263609 APGMZZJPEOEKMW-UHFFFAOYSA-N 437.452 4.274 5 20 IIBD C[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)S1 525204824 OUFSLOIGGHHINV-CHWSQXEVSA-N 433.917 4.467 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OCCN(C)C)c(Cl)c2)cc1SC 525754904 AJKFLNWTEZLPFV-UHFFFAOYSA-N 439.921 4.171 5 20 IIBD CS(=O)(=O)c1ccc(N2CCC[C@H]2c2ccc(Br)cc2)c([N+](=O)[O-])c1 530968939 SSVUYBGQJOCZPR-HNNXBMFYSA-N 425.304 4.102 5 20 IIBD COC(=O)c1cc2cc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Br)ccc2o1 531262194 YWGUGLAMDDERHM-UHFFFAOYSA-N 433.214 4.071 5 20 IIBD C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 533379063 SWNFWKYNQHZIAA-UWJYYQICSA-N 431.496 4.490 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 533958945 NLHUTXMERBONIA-QFIPXVFZSA-N 445.479 4.002 5 20 IIBD COc1cc(N[C@H]2CCCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)cc(OC)c1 534106887 WXAGJVRZKZQFOZ-KRWDZBQOSA-N 438.484 4.344 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(CSC2CCCCC2)c1 536211223 ZTFDGKAQGKURML-UHFFFAOYSA-N 441.553 4.458 5 20 IIBD COC(=O)c1c(C)[nH]c(C(=O)CSCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1C 536302046 JZWMSQDRBKFRNZ-UHFFFAOYSA-N 429.454 4.097 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(NCc3coc(-c4ccc([N+](=O)[O-])cc4)n3)cc2)C[C@@H](C)O1 536302445 OVSPHNCTCYNNKH-IYBDPMFKSA-N 436.468 4.111 5 20 IIBD CC1(C)CC[C@H](CNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c2ccccc21 539895443 VZFCECNFHXHKEK-CRAIPNDOSA-N 441.553 4.232 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@H](c2cccc(Cl)c2)C2CCCC2)cc1[N+](=O)[O-] 542064840 DIYKDGZQOIHXDO-IBGZPJMESA-N 431.876 4.243 5 20 IIBD C[C@@H](C(=O)NCCCCc1nc(-c2cccnc2)cs1)c1ccc([N+](=O)[O-])cc1F 542596316 PTGNYRNNXDKONS-CQSZACIVSA-N 428.489 4.495 5 20 IIBD COc1cc(CN[C@@H](C)c2nc(C3CCCCC3)no2)c([N+](=O)[O-])cc1OC(F)F 543542675 KRTMRGSAGYMDPW-NSHDSACASA-N 426.420 4.486 5 20 IIBD CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 544490727 UUSNVAALZKKPMN-KSSFIOAISA-N 437.265 4.489 5 20 IIBD O=C(NCc1ccco1)NCc1nc(-c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)no1 545075311 NDLBJIWGUXDQQE-UHFFFAOYSA-N 435.396 4.030 5 20 IIBD CNc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)cc1[N+](=O)[O-] 546009226 RBKVOFZDWWLDGC-UHFFFAOYSA-N 437.481 4.205 5 20 IIBD CC1(C)CN(Cc2ccccc2)CC[C@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 548933093 MSXDARQZBWQAKC-HXUWFJFHSA-N 430.936 4.077 5 20 IIBD Cc1c(Cl)cccc1N1CCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 551339372 RFCMRPLTNZSLSU-UHFFFAOYSA-N 439.903 4.095 5 20 IIBD COC(=O)c1cc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c(C)cc1Br 552411041 JVXMFRPCPAWSOQ-UHFFFAOYSA-N 446.257 4.115 5 20 IIBD CC1CCN(CCc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3SCCO)c2)CC1 552470444 QTNXGXVVVVTETM-UHFFFAOYSA-N 443.569 4.206 5 20 IIBD CS(=O)(=O)c1ccc(-c2nc(-c3ccccc3OCC3CCCC3)no2)cc1[N+](=O)[O-] 554816648 PLONRIWBMLEGIW-UHFFFAOYSA-N 443.481 4.284 5 20 IIBD CCCN(CC(=O)Nc1ccccc1OC)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F 555299743 RPNIQLSNKMLUBK-UHFFFAOYSA-N 425.407 4.473 5 20 IIBD CCOC(=O)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c2ccccc21 556456918 YOVKXZXCUYIJOM-HNNXBMFYSA-N 447.285 4.363 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCC=C(c3ccncc3)C2)cc1[N+](=O)[O-])c1ccccn1 556941702 CXIIIRVBLWFFSJ-KRWDZBQOSA-N 429.480 4.487 5 20 IIBD O=C(Nc1ccc2c(c1)OCO2)C1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 561138688 ZPKMYJJLYYZMGB-UHFFFAOYSA-N 438.267 4.485 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1c(-c2ccccc2)nc2ccccn12 567309958 DLGVFWSDFWNPQV-UHFFFAOYSA-N 439.431 4.475 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1cccc(Cl)c1OCC(F)F 568131228 SMPYJRKEZRAIRM-UHFFFAOYSA-N 427.212 4.346 5 20 IIBD COc1ccc(-c2cnc(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)n2C)cc1 569526198 VPPYGEVNACVRLP-UHFFFAOYSA-N 435.465 4.380 5 20 IIBD COc1cc(C(=O)NC2(c3cccc(Br)c3)CCOCC2)cc([N+](=O)[O-])c1C 569780030 ORRWHRKJZNAMJR-UHFFFAOYSA-N 449.301 4.110 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CC(COc2ccccc2)C1 570754220 VOPXRYQSMRZQQY-UHFFFAOYSA-N 447.278 4.238 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(F)(c3ccccc3C(F)(F)F)CC2)n1 573514978 ZMVMOVFDXBCXBY-UHFFFAOYSA-N 427.354 4.260 5 20 IIBD COC(=O)[C@H]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1 581924214 NHTPCUMWGCTRSL-GXTWGEPZSA-N 434.901 4.471 5 20 IIBD COC(=O)c1cc(NC(=O)NC[C@@H](Cc2ccccc2)C(F)(F)F)c(C)c([N+](=O)[O-])c1 583326830 PHWXCTKBOTVVQH-OAHLLOKOSA-N 439.390 4.233 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)N(C(=O)C(C)(C)C)CCO2 588237541 SOFFNWNVACXPLH-UHFFFAOYSA-N 440.500 4.073 5 20 IIBD CCCOc1ccc([C@@H](C)Nc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1OC 603861969 JSOAWMPLUWTCBR-MRXNPFEDSA-N 443.500 4.038 5 20 IIBD CCCCN(C)C(=O)C1CCN(c2c([N+](=O)[O-])cnc3ccc(Br)cc23)CC1 603871157 PRRBFVPSURQXFM-UHFFFAOYSA-N 449.349 4.380 5 20 IIBD COc1cc(OC)c(C2CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)CC2)c(OC)c1 604086645 YRZUFSHGGCYTID-UHFFFAOYSA-N 439.468 4.122 5 20 IIBD COc1ccc(CNC(=O)N2CCC[C@@H]2c2cccc(Br)c2)cc1[N+](=O)[O-] 604104734 LHDUXGNOSCNMKQ-MRXNPFEDSA-N 434.290 4.413 5 20 IIBD COc1ccc([C@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)N2CCOCC2)cc1 608835578 ZSLQIWSUGNIXAD-QHCPKHFHSA-N 437.496 4.027 5 20 IIBD Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n(-c2ccc(Cl)cc2)n1 608927088 FYNSMDMGYQKILX-UHFFFAOYSA-N 427.269 4.197 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 609430061 IPMRVEQZQZEFNK-UHFFFAOYSA-N 438.311 4.061 5 20 IIBD CO[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccccc1Cl 610789595 BETIWGLLGVOZNE-INIZCTEOSA-N 427.682 4.057 5 20 IIBD Cn1cc(C(=O)N2CCc3sc(Br)cc3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 610935090 NENUFUKGKBCJHW-UHFFFAOYSA-N 447.314 4.018 5 20 IIBD O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)C1(c2ccc3c(c2)OCCO3)CCCC1 619536070 GBYBNNFEIVHISY-UHFFFAOYSA-N 434.452 4.207 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1 619790779 RGDSRKJYYQZEGL-UHFFFAOYSA-N 426.256 4.011 5 20 IIBD CN(c1ccccc1)c1ccc(CNCCS(=O)(=O)Cc2ccccc2)cc1[N+](=O)[O-] 725848093 JMAIEFDJCWSNNU-UHFFFAOYSA-N 439.537 4.067 5 20 IIBD O=C(OCC(=O)N1c2ccccc2CCc2ccccc21)c1cc(F)c(F)cc1[N+](=O)[O-] 725935744 MXXKDSIADFQCJP-UHFFFAOYSA-N 438.386 4.493 5 20 IIBD O=C(OCc1c(F)c(F)c(F)c(F)c1F)c1cc([N+](=O)[O-])ccc1Br 725985201 IIQOOCMJPRHIJI-UHFFFAOYSA-N 426.091 4.410 5 20 IIBD CC(C)[C@H](CNC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccccc1 725985648 MCXKZBGRWCEEOH-KRWDZBQOSA-N 449.301 4.070 5 20 IIBD COc1ccc(CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c(C(F)(F)F)c1 726510781 GZJJDUCISWQFOD-UHFFFAOYSA-N 427.335 4.077 5 20 IIBD O=C(COC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)Nc1cc([N+](=O)[O-])ccc1F 727932634 VANNNVYHLCAARM-NEPJUHHUSA-N 427.215 4.326 5 20 IIBD O=C(OCc1coc(-c2ccc(F)c(F)c2)n1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 728626136 RICHRYAHJWOPJK-UHFFFAOYSA-N 426.335 4.071 5 20 IIBD Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)OCc2c(F)cccc2[N+](=O)[O-])cc1 728987535 IKXARGOBNUVMLP-UHFFFAOYSA-N 433.395 4.098 5 20 IIBD CC(=O)c1ccc(N2CCC(OC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)CC2)cc1 730415571 SIGDJYKELROGLG-MRXNPFEDSA-N 428.510 4.490 5 20 IIBD COC(=O)c1ccc(CCC(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 731571346 PQUYSILZPYTWJB-UHFFFAOYSA-N 448.431 4.172 5 20 IIBD CS(=O)(=O)Nc1ccc(COC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1 732314997 LDYJCKMNVLTBFK-UHFFFAOYSA-N 441.465 4.067 5 20 IIBD CCCCc1nc(COC(=O)c2cc([N+](=O)[O-])ccc2I)cs1 733445188 LZKFZWSELQIFRT-UHFFFAOYSA-N 446.266 4.356 5 20 IIBD CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-] 734898338 YQNGDMQBTMQAOH-JLTOFOAXSA-N 430.888 4.291 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(CSc2nnc(N3CCCCC3)n2C[C@H]2CCCO2)c1 735413112 DGGHFPUXTYCRRW-MRXNPFEDSA-N 437.953 4.301 5 20 IIBD C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC[C@H]1c1ccccc1 742315238 FSTCFWWLDLJWJT-CZUORRHYSA-N 439.331 4.172 5 20 IIBD Cc1noc(Cl)c1CCC(=O)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 744325638 RJHZDYRCGWTVFQ-MRXNPFEDSA-N 449.891 4.105 5 20 IIBD CCOC(=O)c1nc(-c2ccccc2)oc1COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] 744910916 TYTBAELBHLADRR-UHFFFAOYSA-N 432.335 4.062 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 746270837 KNDUKTZYODPQMB-CVDCTZTESA-N 441.503 4.453 5 20 IIBD COc1cccc([C@@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])c2cc(F)ccc2OC)c1 746534577 OLNLNZDVDSZQFV-OAQYLSRUSA-N 428.391 4.410 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)Nc2sc3c(c2C(N)=O)-c2ccccc2CCC3)c1 748801635 WUGSTFCPPAEPBA-UHFFFAOYSA-N 437.477 4.172 5 20 IIBD O=C(Oc1ccc(Cc2ccccc2)cc1[N+](=O)[O-])C1CCN(C(=O)N2CCCC2)CC1 749062980 AQUZTDSSMUCRQJ-UHFFFAOYSA-N 437.496 4.019 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(-n2cncn2)c(Cl)c1 749140209 ZKZAGOHPNQOHSG-UHFFFAOYSA-N 429.867 4.028 5 20 IIBD CC(C)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccc2c(c1)OCCO2 750602155 QKJFDHDFXMXPDC-GOSISDBHSA-N 435.274 4.256 5 20 IIBD O=C(NCc1cccc(OCc2ccccn2)c1)c1cc([N+](=O)[O-])ccc1Br 751087730 WFAZNKIQJYXUGW-UHFFFAOYSA-N 442.269 4.261 5 20 IIBD Cc1cccc(C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)c1I 751648093 XTTRSPMCZJCTKU-UHFFFAOYSA-N 438.177 4.006 5 20 IIBD Cn1c(CC(=O)OCc2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)nnc1-c1ccccc1 752456223 NAHNZMBIXITSLT-UHFFFAOYSA-N 444.447 4.469 5 20 IIBD C[C@@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 754320063 SDRKBDAVLRWGCR-NVXWUHKLSA-N 430.505 4.375 5 20 IIBD Cn1ccnc1[C@@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1F 755028929 IFOIZSIZCMMKAD-INIZCTEOSA-N 448.252 4.141 5 20 IIBD CC[C@@H]1CN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC[C@@H]1NC(=O)OC(C)(C)C 757340683 YDSBECQIUXJJNU-RKVPGOIHSA-N 437.562 4.227 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccc(NC(=O)NC2CC2)cc1 758074346 USWDAPLPMHVKKO-LLVKDONJSA-N 447.289 4.132 5 20 IIBD Cc1ccc(C(=O)O[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1NC(=O)c1ccco1 759931025 LYLDEOQCRAEAOE-MSOLQXFVSA-N 438.440 4.286 5 20 IIBD O=C(NC[C@@H](O)c1ccc(-c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1Br 760872846 HZZNCHRESSELEV-LJQANCHMSA-N 441.281 4.488 5 20 IIBD O=C(COC(=O)c1cc2ccccc2cc1OC(F)F)Nc1ccc(F)c([N+](=O)[O-])c1 761510464 CJRNTBYEICDSDO-UHFFFAOYSA-N 434.326 4.284 5 20 IIBD O=C(Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])c(Cl)c1 764150393 SCOKBYMDBYJKKV-UHFFFAOYSA-N 439.811 4.482 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])c2cccnc12)N[C@@H](c1ccccc1)c1cccs1 766228173 UEWHDEYNRCIRIY-NRFANRHFSA-N 447.472 4.267 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(CC[C@@H](O)c2ccccc2)cc1 766320560 HFNKSYKRTFUZSY-HXUWFJFHSA-N 442.493 4.076 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)O[C@@H]1CCOC[C@@H]1OCc1ccccc1 767013086 XLMRRSIUGRNEOR-RPBOFIJWSA-N 443.499 4.072 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)CCc2ccccc2[N+](=O)[O-])c(-c2cccs2)c1 769754268 YYQDPURPQHAJKL-UHFFFAOYSA-N 434.451 4.183 5 20 IIBD Cc1ccc(-c2nnc([C@H](C)OC(=O)c3cc(Br)ncc3[N+](=O)[O-])o2)cc1C 769835885 GYBXWGPMEJURSM-NSHDSACASA-N 447.245 4.337 5 20 IIBD CN(CCC1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1)C(=O)OC(C)(C)C 770227474 NIJQVOAJZOUSCN-UHFFFAOYSA-N 425.913 4.357 5 20 IIBD COc1cc(Cc2noc(-c3cc4cc([N+](=O)[O-])ccc4s3)n2)c([N+](=O)[O-])c(OC)c1 771748424 RLAUVHDHJWKAOX-UHFFFAOYSA-N 442.409 4.376 5 20 IIBD CC(=O)c1cc(C(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)n(C)c1 772228555 QTBYMPUOCYPMIB-UHFFFAOYSA-N 441.827 4.261 5 20 IIBD CCN(C(=O)[C@H](C)OC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 772381396 KLMWLGZOTCLMKH-ZDUSSCGKSA-N 439.390 4.010 5 20 IIBD COCCOCc1cc(C(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)ccc1F 773431051 ILJMLSYOZKOCNW-UHFFFAOYSA-N 442.237 4.016 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)Nc1ccc(N(C)C)cc1 775091757 VPLUNXPDSQLLON-CQSZACIVSA-N 431.514 4.345 5 20 IIBD COc1cc(CN[C@H](C)c2cccc(N3CCOC3=O)c2)c([N+](=O)[O-])cc1OC(F)F 775267788 BVNJELUWHUWSEU-GFCCVEGCSA-N 437.399 4.012 5 20 IIBD CN(C(=O)[C@H]1CC(c2cccc(F)c2)=NO1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 775495357 IIIHTMJTQXPLNI-GOSISDBHSA-N 426.429 4.013 5 20 IIBD O=C(NCCSCc1ccnc(Cl)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 777452362 MYVDUXWADPZOHI-UHFFFAOYSA-N 434.930 4.430 5 20 IIBD Cc1cc(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])nn1-c1ccc(Cl)cc1Cl 777484906 PZGLYMXFQPWHQO-UHFFFAOYSA-N 449.250 4.226 5 20 IIBD O=C(Nc1nc(-c2ccc(-n3cccn3)cc2)cs1)c1cc([N+](=O)[O-])c2nsnc2c1 778273897 UVTOKXDQHDVDKU-UHFFFAOYSA-N 449.477 4.161 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C(=O)N2CCCC2)cc1 779775618 GGZFBXLGRYNHNI-UHFFFAOYSA-N 427.526 4.263 5 20 IIBD Cc1cc(COC(=O)c2nn(-c3ccccc3C(F)(F)F)c(C)cc2=O)ccc1[N+](=O)[O-] 781171504 BORYMZXAJWFTIR-UHFFFAOYSA-N 447.369 4.133 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N[C@H]1CCc2c(Br)cccc21 781629076 SZMXCYMAPKRNNQ-INIZCTEOSA-N 434.246 4.002 5 20 IIBD COc1cccc([C@@H](OC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccncc2)c1 782453933 CAUNXZHKZRGPKQ-QFIPXVFZSA-N 437.408 4.172 5 20 IIBD C[C@@H]1C[C@@H](C(=O)Oc2ccc(Cl)cc2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CO1 784124225 ZJCIDSVDLLANKL-GHMZBOCLSA-N 439.251 4.484 5 20 IIBD COc1cc(Br)ccc1CCCNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] 784444945 YQLZEPUMFPAPEP-UHFFFAOYSA-N 429.217 4.007 5 20 IIBD COc1ccc(-c2nc(C(=O)OCc3ccc(N(C)C)c([N+](=O)[O-])c3)cs2)cc1OC 784493504 FYZLPOYPWFCHOQ-UHFFFAOYSA-N 443.481 4.159 5 20 IIBD O=C(Nc1cccc(CSC2CCOCC2)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 784938806 DHUQOBWNZJBIGN-UHFFFAOYSA-N 449.916 4.238 5 20 IIBD CCc1nnc(COC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 785099674 VXVAAXRMMVVPFI-UHFFFAOYSA-N 446.872 4.271 5 20 IIBD Cc1nc(-c2cccc(NC(=O)COC(=O)c3cc([N+](=O)[O-])cc(C)c3F)c2)cs1 787939159 KYAFUURIWZWJNC-UHFFFAOYSA-N 429.429 4.270 5 20 IIBD CCNC(=O)c1cc(NCc2ccc(Br)c([N+](=O)[O-])c2)nc2ccccc12 790246373 WBUHFHPJAJIMOO-UHFFFAOYSA-N 429.274 4.267 5 20 IIBD O=C(COC(=O)c1cnc2c(F)cccc2c1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 795839536 GHIIGKOSRMWJIR-UHFFFAOYSA-N 437.305 4.096 5 20 IIBD COc1ccc(NC(C)=O)cc1N(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(C)C 799462036 FLDCOTBKLIHPAJ-UHFFFAOYSA-N 437.855 4.338 5 20 IIBD CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](c2ccncc2)C1 800331709 BUFQKTZFRBBZFR-GOSISDBHSA-N 446.891 4.077 5 20 IIBD COC(=O)c1cc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c(C)cc1Br 809098123 GWSNYBHEHMFONQ-UHFFFAOYSA-N 443.200 4.183 5 20 IIBD O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1nc(N2CCCC2)ncc1Cl 811218563 GKRZMWVXXQACAQ-UHFFFAOYSA-N 445.888 4.119 5 20 IIBD C[C@H](C(=O)OC[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)c1ccc([N+](=O)[O-])cc1F 813151942 BZARPNWRJODLIT-QWHCGFSZSA-N 446.422 4.273 5 20 IIBD O=C(Nc1ccc(OC(=O)[C@H](O)c2ccc(Cl)cc2)cc1)c1cccc([N+](=O)[O-])c1 813385845 ZFIPFKVMVVYIEQ-LJQANCHMSA-N 426.812 4.140 5 20 IIBD COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Oc1cccc(Cl)c1[N+](=O)[O-] 815055855 PQPTYKAMAHNXCE-JTQLQIEISA-N 436.269 4.083 5 20 IIBD CN(C)c1cc(F)c(C(=O)N2CC(Cc3cccc(C(F)(F)F)c3)C2)cc1[N+](=O)[O-] 816871795 UIVUVRKZLUPDNI-UHFFFAOYSA-N 425.382 4.133 5 20 IIBD NC(=O)c1ccc(SCC(=O)OC2c3ccccc3Oc3ccccc32)c([N+](=O)[O-])c1 900717669 UENZIAOPPVXBBO-UHFFFAOYSA-N 436.445 4.224 5 20 IIBD Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccccc1 915019602 HTZIFUKYJPXVEI-INIZCTEOSA-N 447.447 4.340 5 20 IIBD O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(Cl)c([N+](=O)[O-])c1 916396834 MAIJULHYXADSOT-UHFFFAOYSA-N 429.782 4.356 5 20 IIBD COc1ccc(COC(=O)c2cc3cc([N+](=O)[O-])ccc3[nH]2)c(Br)c1OC 917973341 PQGZJINKRVZDGZ-UHFFFAOYSA-N 435.230 4.213 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)c1cc2ccsc2[nH]1)c1cccc([N+](=O)[O-])c1 918634418 RXYGEDCNIVIDPM-INIZCTEOSA-N 427.482 4.379 5 20 IIBD Cc1[nH]c2ccc(Br)cc2c1CC(=O)OCCOc1ccccc1[N+](=O)[O-] 919108652 ZQJQFIRLWOJGIR-UHFFFAOYSA-N 433.258 4.312 5 20 IIBD Cc1c(Cl)cccc1NC(=O)[C@H](C)OC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 920550531 LMNVGPAKQIMWKG-ZDUSSCGKSA-N 442.859 4.141 5 20 IIBD Cc1ccc(CN2CCN(Cc3nnc(-c4cc5cc([N+](=O)[O-])ccc5o4)o3)CC2)cc1 1118360553 IZRANSBOKUTPCL-UHFFFAOYSA-N 433.468 4.017 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)C2)CC1 1324300995 CYWYRXCWHRUENX-UHFFFAOYSA-N 442.516 4.329 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CN2CCC[C@H](c3nnc4n3CCC4)C2)o1 1337032476 BAPJTWZVVTUYPB-AWEZNQCLSA-N 427.892 4.426 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])[nH]4)CCC3)cc2)cc(C)c1O 1792097188 SUBROWKVAIYEKQ-UHFFFAOYSA-N 448.479 4.307 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CCC[C@@H]2CCCC[C@H]21 1792398646 UBGKZMYGZBITEW-KCTOORRSSA-N 429.517 4.046 5 20 IIBD Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2CCCCC2)C3)cc(Cl)cc1[N+](=O)[O-] 1800709844 IVESZAYIFQQIAA-BCDXTJNWSA-N 433.936 4.389 5 20 IIBD CC/C=C(\C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 1801208965 YYJFIIVNRWXCMN-VCFRUKELSA-N 427.526 4.418 5 20 IIBD Cc1cc(C)c(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C3)c(C)c1 1846793391 KGJJEZKLCPDRIA-MDZDMXLPSA-N 433.508 4.050 5 20 IIBD C[C@@H]1CCCCN1C(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 11029197 LWCAEBIHGKXRSJ-CQSZACIVSA-N 444.871 4.037 5 20 IIBD COc1cc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])cc1OC(F)F 11545180 BCQFRUYTWVPXKI-UHFFFAOYSA-N 438.427 4.311 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 14893938 QLSQNCZALJAMNK-UHFFFAOYSA-N 437.446 4.420 5 20 IIBD COc1ccc(-c2nc(CN3CCN(c4ccccc4[N+](=O)[O-])CC3)cs2)cc1OC 16565009 UFPRARUCPSKEBP-UHFFFAOYSA-N 440.525 4.058 5 20 IIBD CCCCCc1nnc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)s1 20005933 SBBHMCCWKBJAJB-UHFFFAOYSA-N 428.518 4.293 5 20 IIBD COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)n2C)cc1 21463594 SRDDGPCBBIWAFO-NSHDSACASA-N 447.904 4.172 5 20 IIBD COc1ccc([C@@H](CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 23487036 MTIJZPZGTBGKON-HRAATJIYSA-N 429.542 4.037 5 20 IIBD Cc1ccc(S(=O)(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] 26877890 NZNOQHCNSTXBCX-UWVGGRQHSA-N 434.358 4.091 5 20 IIBD CC[C@@H]1CCCCN1C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(C)cs1 28832333 SOURISMEJHWQLH-CQSZACIVSA-N 449.554 4.459 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@H](CN3CCCC3)c3ccccc3)cc2)c(C)c1[N+](=O)[O-] 29178443 GYVNFCVDBDKZJJ-HSZRJFAPSA-N 447.539 4.023 5 20 IIBD O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 64894604 LZJGVFXPPIUZDN-SFHVURJKSA-N 426.498 4.268 5 20 IIBD CNC(=O)c1ccc(Sc2nnc(-c3ccccc3)n2Cc2ccco2)c([N+](=O)[O-])c1 64905345 RQNHEEOQXOHNTQ-UHFFFAOYSA-N 435.465 4.005 5 20 IIBD Cc1cc(N2CCSCC2)ccc1NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 65024873 IKTQYSAUBFPWBO-UHFFFAOYSA-N 437.525 4.109 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ccc(I)cc1Cl 65442891 KCYXZXOPUNCVJL-UHFFFAOYSA-N 445.644 4.217 5 20 IIBD COc1ccc(CCNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1OC(F)F 110115288 AOPQDHNKBDKYJB-GFCCVEGCSA-N 426.441 4.044 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 301762874 NQELRCJUTOCBEP-IYBDPMFKSA-N 445.541 4.131 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(C)nc3cc(Br)ccc23)cc([N+](=O)[O-])c1 303765818 LXESLVFBCDQJTD-UHFFFAOYSA-N 444.241 4.253 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)N2CCC(c3ncccc3Cl)CC2)cc1[N+](=O)[O-] 428398621 KHRGOIUZKKJABG-UHFFFAOYSA-N 430.313 4.173 5 20 IIBD O=C(Nc1cccc(I)c1)c1ccc(Br)cc1[N+](=O)[O-] 429972539 SWEMWRRSHOJYOX-UHFFFAOYSA-N 447.026 4.214 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3ccc(OC)c(Cl)c3)CC2)ccc1[N+](=O)[O-] 431428109 BRGKWGSGLAJQSM-UHFFFAOYSA-N 434.880 4.010 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 432399824 KNBVGKGMPWTZDD-MRXNPFEDSA-N 444.557 4.444 5 20 IIBD CC(C)(NC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccccc1[N+](=O)[O-] 432631940 KUOMHTFQDFXUJI-UHFFFAOYSA-N 441.513 4.098 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CC3(CCCC3)c3ccccc32)cc1OC 434058581 JYCXDBYWDSVZRY-UHFFFAOYSA-N 426.469 4.101 5 20 IIBD COc1ccc(CSCC(=O)N2CCCCC[C@@H]2CC(=O)c2ccco2)cc1[N+](=O)[O-] 434242936 CHKMQGJZWSSXNQ-QGZVFWFLSA-N 446.525 4.474 5 20 IIBD CCCCCN(Cc1ccc(F)cc1)C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 435262783 LEUAYUFDXVKHOA-UHFFFAOYSA-N 441.459 4.220 5 20 IIBD Cc1cc(C)n(-c2ccc(NC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)cn2)n1 436094450 ZJBGSYFXEQGXDJ-UHFFFAOYSA-N 427.439 4.270 5 20 IIBD Cc1ncc(-c2ccccc2)cc1NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437061745 WDICZRGMHKRURU-UHFFFAOYSA-N 430.464 4.095 5 20 IIBD CC(C)Oc1ccc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(Cl)c1 437069909 RVDNGGVLBBNPES-UHFFFAOYSA-N 431.876 4.165 5 20 IIBD COc1cccc(-n2ccnc2SCC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 437497909 RULHEEXCHFNAHN-UHFFFAOYSA-N 438.509 4.072 5 20 IIBD CC[C@](C)(O)CNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 440512080 AHOINWLQYIPVLY-FPIZWNAKSA-N 425.510 4.412 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N(Cc1ccccc1Br)C1CCCC1 441902430 ZQJBVBNQZIMMSX-UHFFFAOYSA-N 446.301 4.267 5 20 IIBD Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)c1cc2ccccc2c2cccnc12 442218283 QXWKSKQTNHSVGG-UHFFFAOYSA-N 440.503 4.353 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)Nc2ccccc2)cc1 442544048 RUMHCGBZVFJHOU-HNNXBMFYSA-N 447.451 4.055 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1cc(F)cc(F)c1Br 442850155 VHJPTABBPXAIQB-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD C[C@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1nc2ccccc2n1C 444039124 KVYNZQKGNFCYLZ-LBPRGKRZSA-N 432.430 4.337 5 20 IIBD C[C@H]1C[C@H](NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CN1Cc1ccccc1 444230334 XYKSBJXNAAQAFI-YJBOKZPZSA-N 447.485 4.352 5 20 IIBD Cc1nncn1-c1cccc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1 444288121 NSMAMDRGKLBSEV-UHFFFAOYSA-N 431.402 4.101 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3cnn(-c4ccccc4F)c3)cc2)c(C)c1[N+](=O)[O-] 446425768 VESGEAQYCMCVQS-UHFFFAOYSA-N 434.431 4.034 5 20 IIBD COc1ccc(CSCC(=O)N2C[C@@H](c3ccccc3C)OC[C@@H]2C)cc1[N+](=O)[O-] 460389085 RMBNLXOJDJPRQK-KKSFZXQISA-N 430.526 4.134 5 20 IIBD CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O 460529019 XAHWSFIFYUWFAW-HXUWFJFHSA-N 448.523 4.241 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1 462513506 SBOCONRITHPLDH-KRWDZBQOSA-N 427.476 4.180 5 20 IIBD Cc1cccc(Oc2cc(CNS(=O)(=O)c3c(C)cccc3[N+](=O)[O-])ccn2)c1C 462661061 LIGIDLPDXHKGAL-UHFFFAOYSA-N 427.482 4.186 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H]1CCN(CC2CCCC2)C1 464335257 MFIGFGCSIACDPY-OAHLLOKOSA-N 431.480 4.086 5 20 IIBD O=C(CN(Cc1cccnc1)c1ccccc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464659546 KKGUYMXFCRJPJT-UHFFFAOYSA-N 446.507 4.066 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl 467557270 ZGSXKFAWWCALDM-UHFFFAOYSA-N 427.892 4.109 5 20 IIBD CC(C)(C)c1nnc(CNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])s1 467790565 WIHJGFGBMGNYSP-UHFFFAOYSA-N 447.542 4.157 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccccc1Oc1cc(F)cc(F)c1)c1cccc([N+](=O)[O-])c1 469580167 GXXPBAQQHOSZEL-CYBMUJFWSA-N 441.390 4.481 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@@H](Oc3ccncc3)C2)c([N+](=O)[O-])c1 469742387 RURAYMMOJZNWRU-OFNKIYASSA-N 432.480 4.131 5 20 IIBD O=C(Nc1cccc(CSC2CCOCC2)c1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 470351615 AGDLQOIRBHRBMY-UHFFFAOYSA-N 443.525 4.302 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2N2CCC(CN(C)C)CC2)c1 471208968 WJIDBFYAYBQEES-UHFFFAOYSA-N 428.558 4.347 5 20 IIBD C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 475195839 IEUMPNOESWUMFS-LBPRGKRZSA-N 434.378 4.419 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(O)(Cc2ccc(F)cc2)CC1 479266184 LWOBWQHGOYYXNG-UHFFFAOYSA-N 432.517 4.446 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 479835738 GTIIZIBCTDGMAP-UHFFFAOYSA-N 433.443 4.421 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)N(CCc2ccccc2)Cc2cccnc2)c1[N+](=O)[O-] 481026863 UNWLXGVBHIEPKK-UHFFFAOYSA-N 425.510 4.040 5 20 IIBD COC(=O)C[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(C(F)(F)F)cc1 481588653 YUPRVZIKNJKPMB-MRXNPFEDSA-N 425.363 4.348 5 20 IIBD CCOCCOc1ccc(Cl)cc1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 481653406 DVVQHSWEHBPMQE-UHFFFAOYSA-N 448.907 4.018 5 20 IIBD COC(=O)c1cc(OCc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)ccc1[N+](=O)[O-] 481940314 FLASGENCXPLODP-UHFFFAOYSA-N 441.461 4.102 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C 481978430 DMNQEYJVUZCAPU-KRWDZBQOSA-N 445.541 4.335 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCCOc2ccc(C(F)(F)F)cc2)cc1SC 482959772 PYUMGLHBTBPDMJ-UHFFFAOYSA-N 430.404 4.153 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(CN2CCCC2=O)c1 484476467 UHLKJBKSTQBZME-UHFFFAOYSA-N 441.553 4.395 5 20 IIBD Cc1nc2ccccc2c2c(NC(=O)[C@H]3CC34CCS(=O)(=O)CC4)c3ccccc3n12 484521845 AMJYUDGASWENSY-GOSISDBHSA-N 433.533 4.103 5 20 IIBD O=C(NCc1ccnc(OCc2ccccc2)c1)c1cc([N+](=O)[O-])ccc1OC(F)F 485359266 OUQPCXKFPATECN-UHFFFAOYSA-N 429.379 4.100 5 20 IIBD COc1ccc2c(c1)CCC[C@@H]2CNC(=O)c1sc(Br)cc1[N+](=O)[O-] 486113448 CYQLFIHHJYVECU-LLVKDONJSA-N 425.304 4.277 5 20 IIBD C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 487439913 BHRVDFFPDRMKLL-VBKZILBWSA-N 426.860 4.036 5 20 IIBD Cc1ccc(-n2cnc3c2CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C3)cc1 487461256 KJBQJNDHVAQMII-UHFFFAOYSA-N 433.512 4.180 5 20 IIBD Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Br 487476806 QDZXHSSKEGVZMX-UHFFFAOYSA-N 437.200 4.288 5 20 IIBD Cc1ccc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(OCCN(C)C)c1 488533585 PKDBALQWCKQJKV-UHFFFAOYSA-N 440.422 4.184 5 20 IIBD O=C(NC[C@H]1CCO[C@H]1c1ccccc1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 489270933 PCZHLNCJCKKRBL-MYYSRTQBSA-N 434.442 4.467 5 20 IIBD COc1cc(CNc2ccc(NC(C)=O)cc2Cl)c([N+](=O)[O-])cc1OCC(F)F 491027863 BZYFQPVNVKLIMG-UHFFFAOYSA-N 429.807 4.471 5 20 IIBD Cc1cc(Br)c2c(c1)CN(Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 494459037 WLQFSZFCEBSJLI-UHFFFAOYSA-N 429.274 4.274 5 20 IIBD Cc1ccc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cc1NC(=O)c1ccco1 499017850 VMGHKPOPAZIGBN-UHFFFAOYSA-N 431.408 4.391 5 20 IIBD C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@@H](OC1CCOCC1)c1ccccc1 499420260 ICXRONFCLQLRGX-WAIKUNEKSA-N 435.480 4.198 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc([N+](=O)[O-])c1 500273143 IZQPWEUITRBKEV-UHFFFAOYSA-N 433.420 4.276 5 20 IIBD CCCN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@H](C)CC(=O)Nc1ccccc1 500649196 KHCNPVMQKCCNFB-QGZVFWFLSA-N 435.484 4.050 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCC[C@H]2C(=O)Nc3ccccc32)cc1[N+](=O)[O-])c1ccccn1 505997304 UIYAHTJZTYDNLZ-MAUKXSAKSA-N 445.479 4.019 5 20 IIBD CC(C)CCSc1ccc(-c2nc(-c3ccc(S(N)(=O)=O)cc3)no2)cc1[N+](=O)[O-] 510679308 FTSLHDKMBCGHPH-UHFFFAOYSA-N 448.526 4.097 5 20 IIBD O=[N+]([O-])c1cccc(-n2cc(-c3nc([C@H](F)c4ccc(C(F)(F)F)cc4)no3)nn2)c1 512032880 UJCYPZGOBXVQKC-OAHLLOKOSA-N 434.309 4.303 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 513013930 CKIXADULTULZFZ-QHCPKHFHSA-N 431.492 4.157 5 20 IIBD COc1cc(CN2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c([N+](=O)[O-])cc1OC 513034472 BCLKLRBVQJNPBJ-OAHLLOKOSA-N 442.447 4.181 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(CN3CCCC[C@H]3C)cc2)cc([N+](=O)[O-])c1 515135499 XJKSIOAKHDEIMM-MRXNPFEDSA-N 425.485 4.398 5 20 IIBD COc1cc(C(=O)NCc2ccc([C@@H]3C[C@H]3C)o2)c([N+](=O)[O-])cc1OCc1cscn1 516231300 SMKWQLVHSJXHLA-IUODEOHRSA-N 443.481 4.285 5 20 IIBD O=C(NCc1ccc(CN2CCCCCC2)cc1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 517641013 DSEPUPBYIFMTBY-UHFFFAOYSA-N 434.496 4.155 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 520097322 URTVEWFHORZCTN-UHFFFAOYSA-N 447.476 4.196 5 20 IIBD O=C(Nc1ccccc1)Nc1cccc2c1CCN(C(=O)Cc1ccccc1[N+](=O)[O-])C2 521014824 VPICOOMUELBGDZ-UHFFFAOYSA-N 430.464 4.366 5 20 IIBD O=C(Nc1ccnn1Cc1ccccc1F)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 521567733 VZTHKXKDVMMASP-UHFFFAOYSA-N 438.337 4.172 5 20 IIBD CC[C@@H](C)[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)C(=O)N1CCC(Cc2ccccc2)CC1 521712268 IEHCQBLLBLRGPF-IIBYNOLFSA-N 443.569 4.282 5 20 IIBD Cc1cc(S(=O)(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)ccc1[N+](=O)[O-] 522417120 ZXJMLSXXZREGCQ-QGZVFWFLSA-N 449.287 4.111 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)Nc1cccc(C[S@](=O)c2ccccc2)c1 522451652 YONRIYRUBPWXKS-HKBQPEDESA-N 439.493 4.103 5 20 IIBD COc1cc(C(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)cc([N+](=O)[O-])c1OC 525026386 YECRVEUPIDXHOF-UHFFFAOYSA-N 447.447 4.067 5 20 IIBD COc1cc(CN(C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(SC)cc1OC 532579047 LNTZYUCPYDKADC-UHFFFAOYSA-N 433.530 4.103 5 20 IIBD CC(=O)Nc1sc(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])nc1-c1ccccc1 537363790 WQANMWDQABOFCJ-UHFFFAOYSA-N 440.481 4.393 5 20 IIBD COCCC[C@@H](C)C(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 537573779 KNERURPFRRYJFQ-QGZVFWFLSA-N 431.558 4.030 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3n[nH]c(C)n3)c(Cl)c2)cc1OC 538313185 KGPUAYSZOLPOHQ-UHFFFAOYSA-N 431.836 4.001 5 20 IIBD CCOc1ccc(NC(=O)CNc2cc(C)n(-c3ccccc3Cl)n2)c([N+](=O)[O-])c1 539639581 ZHCKFLDVMWNMDN-UHFFFAOYSA-N 429.864 4.192 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCC(OC[C@@H]2CCOC2)CC1 541447007 MAFNVJHNLNVZKM-QGZVFWFLSA-N 441.484 4.437 5 20 IIBD COc1ccccc1-c1ccc([C@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 541740165 DVCIPGXTNVYJMS-KRWDZBQOSA-N 440.521 4.395 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N(C)CCC2CCN(c3ccncc3)CC2)c1Br 543437375 ZHJVUMICBYQAIB-UHFFFAOYSA-N 434.338 4.199 5 20 IIBD CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 543515879 ARPBBAJKDKSLGX-WMZOPIPTSA-N 437.265 4.489 5 20 IIBD CC[C@H](N[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 544455371 DJFNQRFQJTUOLO-KOLCDFICSA-N 432.424 4.147 5 20 IIBD Cc1ccc(-c2noc([C@H]3CC(=O)N(Cc4cccc(C(F)(F)F)c4)C3)n2)cc1[N+](=O)[O-] 544951773 RZKXDJBZKNJDJZ-HNNXBMFYSA-N 446.385 4.488 5 20 IIBD O=C(NCc1nnc2n1CCCCC2)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 545293530 VPIFPLFBVYCOPO-UHFFFAOYSA-N 429.546 4.125 5 20 IIBD CCCS(=O)(=O)Nc1cccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c1C 545833231 YFJRNIFZVRLSMF-UHFFFAOYSA-N 437.493 4.110 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(C[C@@H]3OCCc4ccccc43)n2)c(Br)c1 546442967 WZAQXYCPUDEBCQ-KRWDZBQOSA-N 430.258 4.188 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(Cc2nc(-c3ccccc3)n[nH]2)no1 546499159 QAXSZUVRHZSWAK-LLVKDONJSA-N 426.820 4.147 5 20 IIBD COCC[C@H](Cc1cccc(Br)c1)C(=O)N(C)CCc1ccccc1[N+](=O)[O-] 552714367 PXBWTLJAWQRHNP-GOSISDBHSA-N 449.345 4.254 5 20 IIBD COc1ccc(-c2ccc(C)c(NC(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)c2)cn1 555043557 VPYJKGRHYHETJZ-UHFFFAOYSA-N 447.495 4.328 5 20 IIBD O=C(N[C@H]1CCN(c2ncccc2F)C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 559744528 WQVZEOWMQKYWAW-HNNXBMFYSA-N 438.484 4.289 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N2CCn3c(cc4c(Cl)cccc43)C2)c([N+](=O)[O-])c1 559995106 OVQWPYGYNQCCOB-ZDUSSCGKSA-N 428.876 4.054 5 20 IIBD CC1(C)CN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)[C@H]2CCC[C@H]21 561642405 WVLMTXGBLDFXHY-UXHICEINSA-N 443.525 4.046 5 20 IIBD CC(=O)c1cc(NC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)ccc1[N+](=O)[O-] 570788133 ATRBANRNLRZONN-FQEVSTJZSA-N 437.418 4.302 5 20 IIBD COc1ccc(CNCc2ccnc(N3CCCC3)c2)cc1OCc1ccc([N+](=O)[O-])cc1 578122720 HYPFVWDOLTZTDL-UHFFFAOYSA-N 448.523 4.467 5 20 IIBD COc1ccc([C@H](Cc2ccccc2)NCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 589290931 KNFUUZBXKTYHHW-QFIPXVFZSA-N 435.480 4.124 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@H]2CCOC2)cc1 590515666 ZODIGGOQXGPRJH-HNNXBMFYSA-N 430.482 4.006 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2cccnc2Oc2ccccc2)cc1[N+](=O)[O-] 603600625 BGCAANCQGJSUFA-UHFFFAOYSA-N 448.464 4.314 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 603821521 LKIIAIRZTGWQHJ-UHFFFAOYSA-N 434.452 4.094 5 20 IIBD CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)cc1 603952784 AAMLBSRBOKOLHO-CQSZACIVSA-N 439.497 4.167 5 20 IIBD COc1cc(C(=O)Nc2nc(C)c(Cc3ccccc3F)s2)c([N+](=O)[O-])cc1OC 603973087 DOQULHGQQIPNSK-UHFFFAOYSA-N 431.445 4.359 5 20 IIBD Cc1c(C(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)nnn1-c1cccc([N+](=O)[O-])c1 609065017 XOSAOXJVIADZHX-UHFFFAOYSA-N 447.495 4.004 5 20 IIBD O=C(CC1CCCCC1)Nc1cccc2c1CCCN2C(=O)CCn1cc([N+](=O)[O-])cn1 609455748 SCOLPJUCRULWAS-UHFFFAOYSA-N 439.516 4.070 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@H](c1cccc(F)c1)c1cnn(C)c1 609969618 DDPMRIDLOLWFRY-RNODOKPDSA-N 446.866 4.136 5 20 IIBD Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 609979315 AVAJHWPOBPJIMM-BTYIYWSLSA-N 427.526 4.094 5 20 IIBD CCOC(=O)c1cc(C(=O)N(Cc2ccco2)c2ccc(OC)c(F)c2)cc([N+](=O)[O-])c1 610051874 QLHLTSDKTGBOKY-UHFFFAOYSA-N 442.399 4.359 5 20 IIBD COc1ccc2c(c1)OCC[C@@H]2NCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] 610271414 AJKCXKUTCFDTDZ-HNNXBMFYSA-N 442.390 4.167 5 20 IIBD CCc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cc1S(N)(=O)=O 611213619 FCNZFUJQJQUUBW-UHFFFAOYSA-N 449.554 4.092 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)Nc2cc(N(C)C)ccn2)cc1[N+](=O)[O-] 612346606 KVEXLIKNRYLLKR-UHFFFAOYSA-N 436.493 4.261 5 20 IIBD Cn1cc(-c2nc(COc3c([N+](=O)[O-])cnc4ccc(Br)cc34)cs2)cn1 612660868 DTOWLRAIXPZQSM-UHFFFAOYSA-N 446.286 4.342 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCOCC3(CCCC3)C2)cc1 614119663 KOQNULDYCRLSRP-UHFFFAOYSA-N 426.469 4.429 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1C 725984842 FKQDXILTOFUKSY-CYBMUJFWSA-N 435.274 4.008 5 20 IIBD Cc1ccc2cccc(NC(=O)c3ccc(I)c([N+](=O)[O-])c3)c2n1 730490704 OPIYSFSVSFSAHW-UHFFFAOYSA-N 433.205 4.308 5 20 IIBD Cc1cc2occ(CC(=O)OC[C@H]3CCCN3C(=O)c3ccccc3[N+](=O)[O-])c2cc1C 730708118 NBZGFFJAHDWVNY-GOSISDBHSA-N 436.464 4.348 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc(N2CCCC2)c(Cl)c1 730840867 NPVOBAUINMZJNA-UHFFFAOYSA-N 444.875 4.175 5 20 IIBD CCc1ccc(OC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2OC)c([N+](=O)[O-])c1 734737136 MXBOTBJQILJDKF-INIZCTEOSA-N 432.860 4.029 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1SCC(=O)N1CCCC1 734781422 YFWJGKUWBJKXGU-UHFFFAOYSA-N 434.901 4.320 5 20 IIBD C[C@@H](OC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1 735147652 HAQSXYGYZQLAEM-LLVKDONJSA-N 427.240 4.241 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])OCC(=O)c1cccc(C(F)(F)F)c1 735150171 ZCQMQUIOZPNINM-UHFFFAOYSA-N 431.750 4.462 5 20 IIBD O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(CNC(=O)C2CCCC2)cc1 735443735 SMTJXJDHRFVLSO-UHFFFAOYSA-N 449.463 4.413 5 20 IIBD C[C@H](Nc1ccc(C(=O)N(C)Cc2ccc(CN(C)C)cc2)cc1[N+](=O)[O-])c1ccccn1 738519097 CYQPPWNIQUYTPV-SFHVURJKSA-N 447.539 4.497 5 20 IIBD C[C@@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 742694448 RHBCDSBPVFMVEO-FOIQADDNSA-N 425.485 4.386 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 743000069 JBTFILWSHYSMMR-SNVBAGLBSA-N 441.318 4.014 5 20 IIBD C[C@H](NC(=O)N1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 743323366 PCLXCTJKOLUCHN-OXJNMPFZSA-N 446.548 4.477 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3cccc([N+](=O)[O-])c3C)CC2)ccc1[N+](=O)[O-] 744205288 XGATWISDLQXGQY-UHFFFAOYSA-N 429.429 4.036 5 20 IIBD Cc1noc(Cl)c1CCC(=O)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 744325637 RJHZDYRCGWTVFQ-INIZCTEOSA-N 449.891 4.105 5 20 IIBD Cc1c(COC(=O)CCC[S@](=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-] 745055685 VGIWHFLOBNEOAJ-SANMLTNESA-N 440.315 4.297 5 20 IIBD COc1ccc2sc(C(=O)O[C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)c(C)c2c1 745339159 JEBQFGHBKINDGZ-KRWDZBQOSA-N 426.450 4.089 5 20 IIBD O=C(OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 745351448 QVKFGVYVTSPTRS-DLBZAZTESA-N 435.263 4.138 5 20 IIBD CCc1nc(C(=O)Oc2cc([N+](=O)[O-])ccc2OC)nn1-c1c(Cl)cccc1Cl 748609139 BCIGJUCFEFRETH-UHFFFAOYSA-N 437.239 4.273 5 20 IIBD CC(C)(C)OC(=O)NCCCOC1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 749101989 IDVWHDGYKYQBQI-UHFFFAOYSA-N 436.534 4.105 5 20 IIBD COc1ccc([C@@H](C)CC(=O)OC2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)cc1 750716998 YNXMCOZAESBPGH-INIZCTEOSA-N 428.485 4.318 5 20 IIBD O=C(NCc1nc(C(F)(F)F)cs1)c1cc(Br)cc([N+](=O)[O-])c1Cl 750887130 NAJCYCVTYMGMKP-UHFFFAOYSA-N 444.616 4.416 5 20 IIBD COC[C@@H](C)n1c(SCC(=O)Oc2cc([N+](=O)[O-])ccc2C)nnc1-c1ccccc1 751090168 ZEBZPROBXWFWMF-OAHLLOKOSA-N 442.497 4.067 5 20 IIBD Cc1nc(Cl)ccc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 751782857 OUECTPOTTMBEDN-SECBINFHSA-N 431.754 4.154 5 20 IIBD CC(C)c1cccnc1NC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 752507154 JGDMWZPEADFFNP-UHFFFAOYSA-N 441.465 4.133 5 20 IIBD C[C@H](OC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1Cl 752523762 GIDCYURLSXGWQJ-NSHDSACASA-N 426.256 4.005 5 20 IIBD CO[C@H](C)c1nc(CN2CCCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)cs1 753119627 SSZZIWUWGDQXSV-CYBMUJFWSA-N 433.559 4.081 5 20 IIBD C[C@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 754320066 SDRKBDAVLRWGCR-RDJZCZTQSA-N 430.505 4.375 5 20 IIBD O=C(Nc1ccc(OC(=O)c2csc([C@H]3CCCO3)n2)cc1)c1cccc([N+](=O)[O-])c1 755428951 FXTWXFZUFFWDJR-GOSISDBHSA-N 439.449 4.374 5 20 IIBD O=C(N[C@@H]1CCCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1)c1cc2ccccc2o1 755579462 STXUUYKZQHDLDQ-OAHLLOKOSA-N 427.844 4.029 5 20 IIBD C[C@@H](OC(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 757857653 PPOFGZKSDXOADL-MRXNPFEDSA-N 447.447 4.055 5 20 IIBD Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3cc(O)nc4ccc([N+](=O)[O-])cc34)o2)cc1C 758951708 FHEYMUUSVLNJFB-CYBMUJFWSA-N 434.408 4.433 5 20 IIBD CNC(=O)c1cc(Oc2cccc(OC(=O)c3cc(SC)ccc3[N+](=O)[O-])c2)ccn1 766722812 YHJXNXANKNJLHG-UHFFFAOYSA-N 439.449 4.083 5 20 IIBD O=C(Nc1nc(C2CCC2)cs1)c1ccc(I)c([N+](=O)[O-])c1 767102065 IRROZLMJEWKSKP-UHFFFAOYSA-N 429.239 4.176 5 20 IIBD COCCc1noc(COC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])n1 767743982 WARMIJSHKNICRN-UHFFFAOYSA-N 449.872 4.328 5 20 IIBD C[C@@H](CCc1ccccc1[N+](=O)[O-])Nc1cc(Cl)ccc1OCCS(C)(=O)=O 768515904 MZUAKNCLJXCVKJ-AWEZNQCLSA-N 426.922 4.105 5 20 IIBD C[C@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC[C@H]1NC(=O)OC(C)(C)C 769422124 DVIRAJPAMNPGQC-SWLSCSKDSA-N 428.327 4.092 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)c3sc(Br)cc3[N+](=O)[O-])cc2)C[C@@H](C)O1 770327836 NSQKDKYWFKBWMT-PHIMTYICSA-N 440.319 4.285 5 20 IIBD Cc1cc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])n([C@@H]2CCN(Cc3ccccc3)C2)n1 772268907 VGPPMBRWINHWNL-GOSISDBHSA-N 439.903 4.452 5 20 IIBD COc1ccc([C@@H](OC)[C@H](C)NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1 772416171 NSDVVDJACLCULH-GTNSWQLSSA-N 438.278 4.264 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1 775483513 KMEMAKJHYMLFMB-UHFFFAOYSA-N 437.562 4.472 5 20 IIBD O=c1c2sccc2nc(SC[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1Cc1ccccc1 776272435 SXRLNCPXLZFHIU-GOSISDBHSA-N 439.518 4.240 5 20 IIBD COc1cc(Cl)c(C(=O)COC(=O)c2cccc(SC)c2[N+](=O)[O-])cc1OC 777074741 NRNLAJAUFVYAHR-UHFFFAOYSA-N 425.846 4.027 5 20 IIBD COc1c(F)cc(S(=O)(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1[N+](=O)[O-] 777591045 KVPMQFNKCIIULB-UHFFFAOYSA-N 444.655 4.008 5 20 IIBD CCC1(COC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])CCOCC1 780645218 KHDOIKIGZCPCPI-UHFFFAOYSA-N 436.486 4.003 5 20 IIBD COc1ccc(NC(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)cc1[N+](=O)[O-] 782613533 OAMUTOXXPRYYQR-UHFFFAOYSA-N 430.461 4.315 5 20 IIBD COc1cc(NC(=O)NC(C)C)c(C(=O)O[C@@H](C)c2ccccc2[N+](=O)[O-])cc1OC 783335095 UZVKGQHIWXRJEL-ZDUSSCGKSA-N 431.445 4.060 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc(-c2ccccn2)nc2ccccc12 785443966 BXXVBXHMGVQBNN-UHFFFAOYSA-N 442.431 4.309 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)[C@H]2COc3ccccc32)c2ccccc2)c([N+](=O)[O-])c1 785772350 AHMRBTUCTBKIKA-AVRDEDQJSA-N 432.432 4.302 5 20 IIBD COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 786368398 SCLOAOQDMRXWGL-MRXNPFEDSA-N 427.682 4.470 5 20 IIBD CC[C@H](OC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(Cl)c1F 787035588 NENCDHIZVRNHHW-AWEZNQCLSA-N 426.853 4.273 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC(c2ncc3n2CCCC3)CC1 788651355 YLYBFKNLUPOYFZ-UHFFFAOYSA-N 448.321 4.302 5 20 IIBD C[C@H](OC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1Br 789084589 ANLVKTAABYFGFI-JTQLQIEISA-N 428.185 4.264 5 20 IIBD Cc1c(CNC(=O)c2c(C)c3cc(Br)ccc3oc2=O)cccc1[N+](=O)[O-] 791020470 KOZPWGCWXQDEQB-UHFFFAOYSA-N 431.242 4.011 5 20 IIBD Cc1nc2ccc(Br)cn2c1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 792900563 SMEYNIVPIGLBNO-UHFFFAOYSA-N 437.681 4.239 5 20 IIBD O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1CN(Cc1cccc(F)c1)C1CC1 795416924 LPEQBPSSYWYOLP-UHFFFAOYSA-N 434.265 4.074 5 20 IIBD COc1ccc(C2=N/C(=C/c3csc(-c4ccc(F)cc4)n3)C(=O)O2)cc1[N+](=O)[O-] 796734680 RASCXHFGFNHHDO-OQLLNIDSSA-N 425.397 4.211 5 20 IIBD O=C(COC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)Nc1ccccc1 798129337 VUMZWYLGCRYLSH-QINSGFPZSA-N 445.431 4.042 5 20 IIBD Cc1ccc(-n2ncc(NC(=O)C(=O)Nc3c(F)ccc([N+](=O)[O-])c3C)c2C(C)C)cc1 800633738 KAOIXAPQFBBGPS-UHFFFAOYSA-N 439.447 4.237 5 20 IIBD CC(C)(C)OC(=O)NCc1ccc(OC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1 802955687 CZGWBPRWWPCTDA-UHFFFAOYSA-N 438.440 4.024 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N(C)CCc2nc(-c3ccccc3)no2)CC1 804466878 QDFKSWJSKZAORZ-UHFFFAOYSA-N 449.511 4.196 5 20 IIBD COc1ccc(CSCC(=O)O[C@@H]2CCOc3c(F)cc(F)cc32)cc1[N+](=O)[O-] 806008534 UZISRWZQCQVUGD-MRXNPFEDSA-N 425.409 4.182 5 20 IIBD COc1cc(-c2noc(COc3ccc(Cl)c([N+](=O)[O-])c3)n2)ccc1OC(F)F 808057164 LKWBQZJGOSKIGD-UHFFFAOYSA-N 427.747 4.487 5 20 IIBD C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(N2CCCCC2=O)cc1 810129399 NARKBWITKULRII-AWEZNQCLSA-N 430.892 4.054 5 20 IIBD C[C@H](CC(=O)OCc1cc(I)cc([N+](=O)[O-])c1)c1ccc(N)cc1 811180109 IXUBWBUWOVSXHH-LLVKDONJSA-N 440.237 4.019 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)c1 814428171 JPWCJKVSMKRPML-SJORKVTESA-N 447.532 4.103 5 20 IIBD C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] 815036198 SMVJDQMMGHAGNV-QLJPJBMISA-N 449.287 4.191 5 20 IIBD COc1ccc(-c2nc(Cc3noc(-c4cc(OC)c(F)cc4[N+](=O)[O-])n3)co2)cc1 904330566 SFQWCZWCGNCTFC-UHFFFAOYSA-N 426.360 4.047 5 20 IIBD CCOC(=O)c1c(NC(=O)CNc2ccc(Cl)c([N+](=O)[O-])c2)sc(C(C)=O)c1C 912724136 PITQCPQLWMYTFB-UHFFFAOYSA-N 439.877 4.048 5 20 IIBD O=C(COc1ccc(-c2ccccc2)cc1)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 914797243 SZAJKORKQVCEBR-UHFFFAOYSA-N 431.404 4.434 5 20 IIBD COc1cc(OC)c2cc(C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)[nH]c2c1OC 915191475 UDTHAJSBZXMJCV-UHFFFAOYSA-N 433.848 4.028 5 20 IIBD O=C(CCOC[C@@H]1CCCO1)Nc1cc(Cl)c([N+](=O)[O-])cc1OCc1ccccc1 915829712 ZDMPRRFXCQAIAX-INIZCTEOSA-N 434.876 4.351 5 20 IIBD O=C(Nc1cccc(Cl)c1)c1ccccc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 917512382 AXARRXPDORTGNY-UHFFFAOYSA-N 439.811 4.482 5 20 IIBD O=C(NCc1ccc(OCCOc2ccccc2)nc1)c1cc(Cl)ccc1[N+](=O)[O-] 917728573 XFUPINHLWJIMRN-UHFFFAOYSA-N 427.844 4.031 5 20 IIBD O=C(OCCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(NC(=O)C2CC2)cc1 920145812 CCKJZRNMPCMVNU-UHFFFAOYSA-N 438.358 4.198 5 20 IIBD Cc1c(C(=O)O[C@@H](C)c2ccccc2[N+](=O)[O-])sc2nc3n(c(=O)c12)CCCCC3 920267489 JQPKTAQGLVGEEL-ZDUSSCGKSA-N 427.482 4.319 5 20 IIBD O=C(COc1cc(Cl)ccc1[N+](=O)[O-])NCc1cccc(COCc2ccco2)c1 920991637 BSTBXXPYVIVBBJ-UHFFFAOYSA-N 430.844 4.253 5 20 IIBD CC(=O)N1Cc2ccc(NC(=O)c3ccc(N4C[C@@H](C)C[C@@H](C)C4)c([N+](=O)[O-])c3)cc2C1 1116218054 GYOMFRUJRGVSMG-IYBDPMFKSA-N 436.512 4.192 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 1253329376 IQYXGHUBKKPPAV-XOBRGWDASA-N 433.468 4.154 5 20 IIBD CC(C)n1ncc2c1[C@H](NC(=O)N1CCC(Oc3ccc([N+](=O)[O-])cc3)CC1)CCC2 1325554862 WSNKUVPZCCOODQ-HXUWFJFHSA-N 427.505 4.003 5 20 IIBD O=[N+]([O-])c1cc(-c2nnc(Cn3nnc(-c4ccccc4)n3)o2)ccc1Nc1ccccc1 1341355561 QRDMXMCHHBAGJA-UHFFFAOYSA-N 440.423 4.090 5 20 IIBD C[C@H]1C[C@]1(C)C(=O)NC1(c2ccc(NC(=O)Cc3cc([N+](=O)[O-])ccc3F)cc2)CCC1 1786672876 VOADGMPEXKYIGG-WNSKOXEYSA-N 439.487 4.457 5 20 IIBD O=C(Cc1cccnc1)Nc1ccc(C2(NC(=O)c3cccc(F)c3[N+](=O)[O-])CCC2)cc1 1788269619 ALAQGUNOYMMYOZ-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cc(O)cc([N+](=O)[O-])c4)cc3)CCC2)ccn1 1790755935 GCCSGPDUIJSOOL-UHFFFAOYSA-N 446.463 4.065 5 20 IIBD O=C(Cc1ccc(Cl)cc1[N+](=O)[O-])NC1(c2ccc(NC(=O)C3(F)CC3)cc2)CCC1 1791151098 ZSQXXDYONRVTJM-UHFFFAOYSA-N 445.878 4.427 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc([N+](=O)[O-])o1)c1ccc(C2CC2)cc1 1793276314 QBDGOFGWJCUYPS-SBPBHMIISA-N 435.480 4.030 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2ccoc12)c1ccc([N+](=O)[O-])cc1F 1801100624 JMPRJXNURWALEK-MUJYYYPQSA-N 437.427 4.046 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc([C@@H]2CCCCN2C(=O)C2CCCCC2)[nH]n1 1814373716 BSYQWHSNVKNUHW-FQEVSTJZSA-N 439.516 4.133 5 20 IIBD O=C(c1cccs1)N1CC2(CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 1845738606 DIVXLNZUAPHODU-UHFFFAOYSA-N 427.507 4.002 5 20 IIBD COc1cc(C(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])cc1OC(F)F 10209165 ANBUMYXOMQAICC-UHFFFAOYSA-N 439.411 4.147 5 20 IIBD O=C(COC(=O)CCCOc1ccc(Cl)cc1Cl)Nc1cc([N+](=O)[O-])ccc1F 10728761 XIIKIQRFZCXTMI-UHFFFAOYSA-N 445.230 4.382 5 20 IIBD CC(C)OCc1c(C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)oc2ccccc12 11242711 IQSWGCZPUUAENH-UHFFFAOYSA-N 430.388 4.201 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1nc(-c2ccc(F)cc2)no1 11278340 ODJCFWDIGRFJTP-UHFFFAOYSA-N 429.407 4.087 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CCc1ccc(-c2ccccc2F)o1 16320337 MSQIYPXKASHYNU-UHFFFAOYSA-N 426.400 4.417 5 20 IIBD C[C@@H](Sc1nnc(NCc2ccc(F)cc2)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1 16335566 SPJSFMRBMPGGPT-LLVKDONJSA-N 433.490 4.317 5 20 IIBD Cc1nn(Cc2ccc(C(=O)O[C@@H](C)C(=O)c3ccc(F)cc3)cc2)c(C)c1[N+](=O)[O-] 17159389 AMSGVIHMNQSCJD-HNNXBMFYSA-N 425.416 4.024 5 20 IIBD Cc1nc(-c2cccs2)sc1C(=O)O[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 17831151 VNRRNXFXDKMPOM-JTQLQIEISA-N 435.458 4.411 5 20 IIBD C[C@H](OC(=O)CSc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1C(F)(F)F 18438108 VXHJEXQGAPZZPN-NSHDSACASA-N 428.388 4.276 5 20 IIBD CC(=O)Oc1ccc(-c2ccc(C(=O)OCC(=O)Nc3c(C)cccc3[N+](=O)[O-])cc2)cc1 28784529 GMWOCAITITWIHZ-UHFFFAOYSA-N 448.431 4.291 5 20 IIBD Cc1cccc(C(=O)Nc2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c1[N+](=O)[O-] 46668146 CBTFGGOXJVCFIH-UHFFFAOYSA-N 444.535 4.473 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N(Cc1cccc(F)c1)C[C@H]1CCCO1 64963385 USFSOBFZDBTMPZ-OAQYLSRUSA-N 441.503 4.158 5 20 IIBD O=c1cc(C(F)(F)F)c2ccc(OS(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2o1 71852730 IHRJHXSZWOYRAD-UHFFFAOYSA-N 449.746 4.141 5 20 IIBD CN(C(=O)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)C(c1ccccc1)c1ccccc1 72066343 SQNMGOJCGWVBRJ-UHFFFAOYSA-N 427.464 4.101 5 20 IIBD CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 97571874 KKIXOYAJUBDVHS-GOSISDBHSA-N 444.326 4.027 5 20 IIBD CCOC(=O)c1sc2cccc(F)c2c1Cn1cc(Br)c([N+](=O)[O-])n1 108275402 BXURBLZOJLJVRC-UHFFFAOYSA-N 428.239 4.133 5 20 IIBD COc1ccc([C@H](C)NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1F 115232837 BIIJREZUJCCOBJ-NSHDSACASA-N 429.370 4.441 5 20 IIBD CC(=O)Nc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(C(F)(F)F)c1 247907482 CSLLKLAYOZRWAH-UHFFFAOYSA-N 436.390 4.425 5 20 IIBD COc1ccc(-n2ccc(C(=O)Nc3nc(-c4ccc(C)c([N+](=O)[O-])c4)cs3)n2)cc1 303050511 YABXUXZZFWGZIU-UHFFFAOYSA-N 435.465 4.473 5 20 IIBD COc1ccccc1CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 303132912 CFSGGYSAIYQUBL-UHFFFAOYSA-N 447.491 4.354 5 20 IIBD COC(=O)c1cc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)cc(Br)c1F 432352627 ZHUKTOZGTVXFHU-UHFFFAOYSA-N 439.237 4.461 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NC2(c3ccc4c(c3)OCO4)CC2)cc1[N+](=O)[O-])c1ccccn1 432849944 HDOQSWZKPDWQHD-OAHLLOKOSA-N 446.463 4.311 5 20 IIBD O=C(NCc1ccccc1OC(F)F)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 435948520 ITJGFABAPKTICA-UHFFFAOYSA-N 430.357 4.491 5 20 IIBD COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 436240552 PHLMPCWUELLNGH-UHFFFAOYSA-N 434.879 4.150 5 20 IIBD CCOC(=O)c1cc(NC(=O)c2cc3ccccc3c3cccnc23)cc(S(C)(=O)=O)c1 439838709 SZCRVTARXXWNNZ-UHFFFAOYSA-N 448.500 4.221 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(COCC(F)(F)F)cc1 439877336 JDLNMHFNSKWKMM-UHFFFAOYSA-N 427.379 4.394 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCC(c2noc(C3CC3)n2)CC1 444309112 BBKRXMSQXXNOLN-UHFFFAOYSA-N 432.455 4.101 5 20 IIBD COc1cccc([C@H]2[C@@H](c3nc(Cc4ccc([N+](=O)[O-])c(C)c4)no3)CC(=O)N2C2CC2)c1 445238385 WNNJCFDKALLLDC-CVDCTZTESA-N 448.479 4.105 5 20 IIBD C[C@@H](c1nc(CC(=O)Nc2ccccc2C(F)(F)F)no1)c1ccc([N+](=O)[O-])cc1F 445418938 QELMHJKIIMWHDL-SNVBAGLBSA-N 438.337 4.469 5 20 IIBD O=C(c1cn(-c2ccc(Cl)c(Cl)c2)cn1)N1CCOc2ccc([N+](=O)[O-])cc2C1 461394645 MXVUDDDFJQHNCY-UHFFFAOYSA-N 433.251 4.122 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC(c2nc3ccccc3s2)CC1 463999404 QMSOEWHUSVXNJQ-UHFFFAOYSA-N 438.509 4.166 5 20 IIBD CSc1ncc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1-c1ccccc1 464664636 RKUGEWIHKYQCJI-UHFFFAOYSA-N 438.509 4.186 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464785524 PKVYVWJPIDPPKW-UHFFFAOYSA-N 448.317 4.148 5 20 IIBD O=C1CN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])c2ccncc2N1 466437671 DJYYQYUKLRMSAK-UHFFFAOYSA-N 440.868 4.393 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@@]2(C)CCO[C@@H]2C2CC2)cc1 466844627 WTHWAATVJAZPBD-FYYLOGMGSA-N 426.469 4.331 5 20 IIBD CC(C)n1cc(C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)cn1 469008732 NVAFFSKJGSENLL-UHFFFAOYSA-N 439.541 4.059 5 20 IIBD CCOc1cc(NC(=O)N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c([N+](=O)[O-])cc1OCC 473644356 UXFMMIATSYCQCM-AOYOOGHLSA-N 449.529 4.355 5 20 IIBD Cn1ncc([N+](=O)[O-])c1NC(=O)Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21 474775980 PZGGHQDSBHCJGF-UHFFFAOYSA-N 445.266 4.291 5 20 IIBD COC(=O)[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C[C@@H]1C 475376902 ZKCAQKRXDGEBAU-WFASDCNBSA-N 437.290 4.248 5 20 IIBD Cn1cnc([N+](=O)[O-])c1CSc1nc2ccccc2c(=O)n1Cc1ccccc1Cl 476499574 JWVLKUILMDUPPQ-UHFFFAOYSA-N 441.900 4.032 5 20 IIBD COc1c(C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)cccc1[N+](=O)[O-] 476674757 STPVZQVOURLVCL-UHFFFAOYSA-N 438.311 4.305 5 20 IIBD COc1c(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)cccc1[N+](=O)[O-] 476699294 YZHSVVGWAODOBR-UHFFFAOYSA-N 435.274 4.050 5 20 IIBD C[C@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(C)(C)CN(C)C 478316462 SQCIRQIATONSKX-SFHVURJKSA-N 449.555 4.083 5 20 IIBD Cc1c(CNC(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)cccc1[N+](=O)[O-] 478961211 NSVMTGMSJYZXFW-UHFFFAOYSA-N 442.479 4.150 5 20 IIBD COc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)cc([N+](=O)[O-])c1C 479653019 PIOWWFIRIMOMKT-UHFFFAOYSA-N 439.390 4.020 5 20 IIBD CN(C(=O)c1cccc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1)c1ccccc1 479689969 KSKNGERHJCFEII-UHFFFAOYSA-N 441.447 4.309 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC(OCCCOc2ccccc2)C1 480284650 OTOHXTDNSHIMAY-UHFFFAOYSA-N 439.493 4.028 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)cc(Br)c2O)cc1SC 482556831 QMZQVSIQQPMHET-UHFFFAOYSA-N 427.276 4.354 5 20 IIBD CCCOc1cc(NC(=O)N2CC[C@H]3[C@H](CCCN3C)C2)c([N+](=O)[O-])cc1OCCC 482749374 SSBCGMWHAGAZJN-AEFFLSMTSA-N 434.537 4.120 5 20 IIBD NC(=O)c1ccc(SCC(=O)NC2(c3cccc(Cl)c3)CCCC2)c([N+](=O)[O-])c1 483298353 QYAVZMAGRVYSON-UHFFFAOYSA-N 433.917 4.025 5 20 IIBD CCOC(=O)[C@@H](NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)c1cccc(O)c1 483358996 RUJUJBWABNIJKI-QHCPKHFHSA-N 435.480 4.462 5 20 IIBD Cc1c(CNC(=O)Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)cccc1[N+](=O)[O-] 483686567 AAYFQKJFRUPSKE-UHFFFAOYSA-N 444.491 4.357 5 20 IIBD O=C(Cc1cccs1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 485225371 UBONSMLUSWXUNH-UHFFFAOYSA-N 427.551 4.272 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 486800637 SZIRTINCDVAJKE-SNVBAGLBSA-N 429.429 4.386 5 20 IIBD CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 487786712 YYPOXOUCZMJYBJ-UHFFFAOYSA-N 436.468 4.199 5 20 IIBD COc1ccc(-c2csc(NC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)n2)cc1Cl 488150416 PFHRPCHMAHDGDS-UHFFFAOYSA-N 433.829 4.361 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 490009593 JYEWMSDUIISWAC-HXUWFJFHSA-N 443.569 4.070 5 20 IIBD O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 492076310 VXAGPIAGKIWAIB-UHFFFAOYSA-N 438.871 4.169 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CC[C@@H](C(F)(F)F)c2ccccc21 492288062 GJVVOJSNQBLXSU-OAHLLOKOSA-N 449.385 4.366 5 20 IIBD C[C@H](C1CC1)N(C(=O)c1ccc(C(=O)N(C2CC2)[C@H](C)C2CC2)c([N+](=O)[O-])c1)C1CC1 494316880 UYNUGJFJDGPKAI-HUUCEWRRSA-N 425.529 4.401 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCc2c(ncn2CCc2ccccc2)C1 495340797 ZSDIJOAIJYMDOJ-UHFFFAOYSA-N 444.413 4.251 5 20 IIBD O=C(Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 497321328 WYJNCVGVAKNNDG-NRFANRHFSA-N 437.839 4.062 5 20 IIBD COc1cc(Br)cc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 498804201 KVIAUPDSFVBUFH-UHFFFAOYSA-N 431.246 4.019 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1COCc1ccccc1 499158422 AQAVQDWTQYAAAZ-UHFFFAOYSA-N 428.466 4.126 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN3CCO[C@H](c4ccc(OC(F)F)cc4)C3)o2)c1 499244184 HXFYBDJVURLZRX-FQEVSTJZSA-N 445.422 4.467 5 20 IIBD CCCN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@H](C)CC(=O)Nc1ccccc1 500623540 ZPTHWVAORZZYJV-QGZVFWFLSA-N 435.484 4.050 5 20 IIBD C[C@@H]1C[C@@]1(NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(Cl)cc1 503417061 TZPNXFOOGJVSFJ-ZMZPIMSZSA-N 438.709 4.474 5 20 IIBD Cc1ccc(NC(=O)c2sccc2S(=O)(=O)NC2CCCCCC2)cc1[N+](=O)[O-] 509525534 ZWIYJFMRNDQRKD-UHFFFAOYSA-N 437.543 4.218 5 20 IIBD Cc1c(C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cnn1C1CCCCC1 510349181 UFUXGNQLJKCKKT-HXUWFJFHSA-N 442.516 4.418 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3ccccc3Oc3ccncc3)CC2)ccc1[N+](=O)[O-] 510795305 DUERQSSWCQRSSP-UHFFFAOYSA-N 448.479 4.143 5 20 IIBD CCCOc1ccc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1OC 510824148 IMUYDKPBASQMPN-UHFFFAOYSA-N 425.388 4.315 5 20 IIBD CN(CCOc1ccc(OCc2ccccc2)cc1)C(=O)NCc1ccc([N+](=O)[O-])cc1 512038474 AOLACEKCCJPOSN-UHFFFAOYSA-N 435.480 4.394 5 20 IIBD CC[C@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccc(Cl)s1 515470335 RPYNNKIOAQTQQZ-NSHDSACASA-N 446.710 4.278 5 20 IIBD COc1cc(C(=O)NCc2cc(F)ccc2Br)c([N+](=O)[O-])cc1OC(F)F 515506145 OXLZCZGPDRGGTE-UHFFFAOYSA-N 449.179 4.036 5 20 IIBD COc1ccc(NC(=O)c2cc([N+](=O)[O-])cn2C)cc1NC(=O)c1ccc(Cl)cc1F 515684167 XYWFJKFTOFHUHM-UHFFFAOYSA-N 446.822 4.239 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)NCc2ccc(-c3ccccc3)o2)cc1[N+](=O)[O-] 516527187 LTKJFRFQJAHDRZ-UHFFFAOYSA-N 435.465 4.065 5 20 IIBD Cc1ccc([C@@H](CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)N2CCOCC2)o1 518272881 PEUIZTYDWQUBDG-HXUWFJFHSA-N 427.526 4.388 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc4c(c3)CCC(=O)N4C)cc2[N+](=O)[O-])C1 519137758 NWNGHOMYWMXFIL-HZPDHXFCSA-N 436.512 4.238 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)N[C@@H](c1ccccc1)C1CCCC1 521513404 SABUFRYIXFVMKK-SFHVURJKSA-N 433.411 4.182 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N1CC(n2ccnc2)C1 522258035 UBUHAAXXEREHSN-GZTJUZNOSA-N 445.504 4.415 5 20 IIBD C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)CCc2cccc([N+](=O)[O-])c2)c1 531022782 LLAPJWIWTGHRFX-MRXNPFEDSA-N 442.491 4.118 5 20 IIBD CN(C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 532826121 FJWNUQPGCYIRBI-UHFFFAOYSA-N 449.492 4.250 5 20 IIBD CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)CCOc2ccccc2[N+](=O)[O-])cc1 532909912 SBJHMWYVOUYBHU-MRXNPFEDSA-N 428.489 4.115 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(Cl)c(F)c1 534235625 RDZSZSAPUINTSM-UHFFFAOYSA-N 440.880 4.315 5 20 IIBD Cc1coc(-c2cccc(NC(=O)c3cc(I)cc([N+](=O)[O-])c3)c2)n1 534293740 DIYYSKFFEOZGLR-UHFFFAOYSA-N 449.204 4.415 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 534645878 ZUCPCIVUZQBEEK-INIZCTEOSA-N 427.791 4.455 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)c1ccc([S@](C)=O)cc1 535204188 BUNUMLFOKHYFDB-MKTHODDLSA-N 437.521 4.435 5 20 IIBD O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 537499352 XUXJFKCXOSTVQL-UHFFFAOYSA-N 427.376 4.304 5 20 IIBD CCc1ccc([C@@H](NCc2ccccc2CN2CC[C@@H](O)C2)c2ccc([N+](=O)[O-])cc2)o1 541571346 PZVVVORIVHJDTM-RDGATRHJSA-N 435.524 4.196 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CN[C@@H](CCO)c3ccccc3Br)co2)cc1 542877788 CCYFUOXHMCIQIC-SFHVURJKSA-N 432.274 4.226 5 20 IIBD C[C@@H](C(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1)c1ccc([N+](=O)[O-])cc1F 543479848 DAGFVTPLVLCMLX-LLVKDONJSA-N 438.377 4.376 5 20 IIBD NC(=O)Nc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)cc1 543500263 WXBPJZGWQVGRPF-UHFFFAOYSA-N 428.514 4.298 5 20 IIBD CCCc1c(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cnn1-c1cccc(F)c1 544095826 CINQYBVDIBGXAE-UHFFFAOYSA-N 438.868 4.326 5 20 IIBD CCc1ccc([C@H](NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)c2ccc([N+](=O)[O-])cc2)o1 544381989 LDJZDZSIXPROKX-AOHZBQACSA-N 427.545 4.197 5 20 IIBD CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C[C@@H]1N1CCCC1 545877718 TZGUUVAHWPTZQJ-PZJWPPBQSA-N 427.526 4.039 5 20 IIBD O=[N+]([O-])c1ccc(Sc2ccc(-c3nc(-c4cccnc4-n4cncn4)no3)cc2)cc1 546363650 LAIKLGYBSJPFJU-UHFFFAOYSA-N 443.448 4.439 5 20 IIBD O=C(Nc1cccc(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)c1)c1cccnc1 546559168 NXTMXGOBFCQXNO-UHFFFAOYSA-N 440.419 4.364 5 20 IIBD O=C(NCc1cccc(NC(=O)N2CCCC2)c1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 549525168 UHVBKBWSGDBLJG-UHFFFAOYSA-N 436.390 4.171 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)c1 551815379 FJLDNMJVHJKBOC-UHFFFAOYSA-N 443.428 4.462 5 20 IIBD C[C@@H]1C[C@H](CCN[C@H](c2cccc([N+](=O)[O-])c2)c2nccn2C)CN1Cc1ccccc1 552062959 LIWHRXQIJZRVRA-NHCICSSKSA-N 433.556 4.308 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCCc2nc3ccccc3o2)cc1[N+](=O)[O-])c1ccccn1 552354101 PTGCLQOGOIDHDW-OAHLLOKOSA-N 431.452 4.277 5 20 IIBD CC(C)COc1ccc(C2(c3noc(CCn4cc([N+](=O)[O-])cn4)n3)CCCC2)cc1 554838627 HOSXTJJVPDHZOW-UHFFFAOYSA-N 425.489 4.312 5 20 IIBD CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1cc([N+](=O)[O-])cc(Br)c1C 555857063 CYEIRXZBZIPKLT-UHFFFAOYSA-N 448.317 4.383 5 20 IIBD Cc1ccc(C(=O)Nc2cccc(NS(=O)(=O)Cc3ccccc3)c2)cc1[N+](=O)[O-] 557914857 BYFBNECISDCZTK-UHFFFAOYSA-N 425.466 4.097 5 20 IIBD Cn1c([C@@H]2CCCCN2CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)nc2ccccc21 558168736 SJBJBPLRGIHTPV-IBGZPJMESA-N 435.484 4.007 5 20 IIBD Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 571367859 NDYJPYSKBNQANE-UHFFFAOYSA-N 438.484 4.002 5 20 IIBD COc1cc(Cc2noc(/C=C\c3ccccc3OC(F)F)n2)c([N+](=O)[O-])c(OC)c1 579551698 LDDRVYKNLIFPIP-FPLPWBNLSA-N 433.367 4.358 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)NC2(Cc3cccc(F)c3)CCC2)cc1[N+](=O)[O-] 582113060 TYLWUJJPTVJBDG-UHFFFAOYSA-N 427.476 4.252 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[C@](CO)(Cc2ccc(F)cc2)C1 584236935 DCVYOMPSEZLKPZ-IBGZPJMESA-N 441.381 4.212 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CN2CCCO[C@@H](c3ccccc3)C2)c1 589252915 CLBQWXZMQRYFIN-GOSISDBHSA-N 438.265 4.163 5 20 IIBD Cc1c(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cnn1-c1ccc(Cl)cc1 589344777 FOHMNXOAFUXRQI-UHFFFAOYSA-N 427.848 4.169 5 20 IIBD COCCOc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1OC 590158740 KPUFRAURBAQPNO-LBPRGKRZSA-N 442.390 4.138 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 590870850 MKZKVZGCSLVXFK-UHFFFAOYSA-N 449.341 4.476 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 603501381 LIJMJQUHDULGIZ-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD COc1ccc([C@@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c2ccccc2)cc1 603616506 XQIAPBRJVAFJQT-QHCPKHFHSA-N 428.448 4.309 5 20 IIBD CCOC(=O)c1sc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C(=O)OCC)c1C 603727281 LCCIDISPBUWHAI-UHFFFAOYSA-N 446.437 4.317 5 20 IIBD COc1cc([C@H](C)NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OC1CCCC1 604036140 IULSYMKIUZTOPL-HNNXBMFYSA-N 434.514 4.105 5 20 IIBD CC(C)CCSc1ccc(C(=O)Nc2cnccc2N2CCN(C)CC2)cc1[N+](=O)[O-] 604341940 GLFWIAJKTWJSFB-UHFFFAOYSA-N 443.573 4.132 5 20 IIBD O=C(N[C@@H](COc1ccccc1F)c1ccccc1)c1cc([N+](=O)[O-])cc2c1OCCO2 608938625 GJIXDRRAOLPKBK-IBGZPJMESA-N 438.411 4.055 5 20 IIBD COc1ccc(C[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1OC 608983654 FZOMCSKGJFGMQW-NRFANRHFSA-N 435.480 4.395 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(Nc3ccccc3)nc2)ccc1[N+](=O)[O-] 609110238 UZJZCCFZVMRNPB-NRFANRHFSA-N 445.479 4.285 5 20 IIBD CC[C@@H](C)[C@@H](NCc1ccc(OC)c([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 609288341 ZOIOZSAJXRDNJF-UZUQRXQVSA-N 440.544 4.347 5 20 IIBD CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609490539 FQXMIWDCPTTXMM-UHFFFAOYSA-N 432.436 4.208 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCc1cccc(OCc2ccccn2)c1 609727200 DNABADHLGHLLKN-UHFFFAOYSA-N 441.871 4.308 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccccc1NC(=O)N1CCCC1 609730218 VCFOPBHMSZNMGB-UHFFFAOYSA-N 432.864 4.284 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCC1CCN(Cc2ccccc2Cl)CC1 609793356 KHSGZRBVRLPRSZ-UHFFFAOYSA-N 436.339 4.473 5 20 IIBD CN(C(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1)c1ccccc1 609985396 JOXFKYFOMGCEKX-UHFFFAOYSA-N 445.884 4.326 5 20 IIBD COc1cc(CCNC(=O)c2cccc(OC3CCCCC3)c2)c([N+](=O)[O-])cc1OC 609985786 NFEOQIGTLCRDEH-UHFFFAOYSA-N 428.485 4.296 5 20 IIBD CC(=O)N[C@H](C)CCc1ccc(C(=O)COc2ccc(Br)cc2[N+](=O)[O-])cc1 610219134 AOOZTPQATVLZGQ-CYBMUJFWSA-N 449.301 4.076 5 20 IIBD C[C@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccc2nc(O)[nH]c2c1 618807465 ZNNKAJTVLAQSRS-AWEZNQCLSA-N 432.436 4.247 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCCCc2nc(-c3ccccc3)no2)cc1SC 728649662 PKACDPBTUYOQER-UHFFFAOYSA-N 429.454 4.165 5 20 IIBD C[C@@H](c1ccccc1)c1ccc(OC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)cc1 728849951 CYQCMAZGZNOXIN-HNNXBMFYSA-N 425.462 4.369 5 20 IIBD C[C@H](OC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)C(=O)NCc1cccs1 728943337 MOSZJFBVDMGKDF-OAGGEKHMSA-N 445.541 4.000 5 20 IIBD C[C@@H](c1cccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1)N1CCOCC1 729657730 ZKGNMEWZRRYOTQ-ZDUSSCGKSA-N 434.290 4.003 5 20 IIBD C[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1)c1cccc([N+](=O)[O-])c1 729661104 ZFQUCPLAPRELEL-CVEARBPZSA-N 432.498 4.076 5 20 IIBD CC[C@@H](C)c1ccccc1OCC(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730708482 OLSRVPSSBGUZRY-MSOLQXFVSA-N 440.496 4.335 5 20 IIBD CCCCCOc1ccc(OC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 731957499 NTHMAALKSPQYQJ-QGZVFWFLSA-N 432.498 4.436 5 20 IIBD COc1ccc(CSCC(=O)N2[C@H](C)CO[C@@H](c3ccccc3)[C@H]2C)cc1[N+](=O)[O-] 732022526 OGLGKHXKJIEGIM-XCGNWRKASA-N 430.526 4.214 5 20 IIBD CC(C)(Oc1cccc(Cl)c1)C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 733012596 SPMORYHZZPOQIT-UHFFFAOYSA-N 427.240 4.241 5 20 IIBD C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 736118511 TULKNUGFMDVRAM-QLVMHMETSA-N 444.509 4.156 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NC[C@@H](O)c2ccsc2)cc1[N+](=O)[O-] 740128025 TYTDLJLXRVSWJS-GOSISDBHSA-N 442.518 4.073 5 20 IIBD CS[C@H]1CC[C@H](NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 742739199 GGGYWBXYBDOKHU-RXVVDRJESA-N 436.537 4.390 5 20 IIBD O=[N+]([O-])c1ccc(CN(c2ccccc2)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 743343874 ZCVPZZKZCHDHHI-UHFFFAOYSA-N 427.438 4.040 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1nc(Cc2ccc(F)cc2)no1 744640053 MVXZMOKVDULEQW-UHFFFAOYSA-N 443.434 4.011 5 20 IIBD CO[C@@H](CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C 744698630 UWWHJARDVCCPAL-SFHVURJKSA-N 433.892 4.291 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 746241856 POLAHQNAFJFIRT-REWPJTCUSA-N 441.503 4.065 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 746606533 QXWBALWGFNGICQ-NRFANRHFSA-N 442.374 4.175 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1cc(F)c(F)cc1Cl 747621465 WDDXFACQCAVLGU-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)[C@H](O)c1c(F)cccc1Cl 748390986 ILZKKTMXINETIF-YMNVWFMLSA-N 431.247 4.046 5 20 IIBD C[C@@H](OC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc2c(c1)CC(=O)N2 748505910 AQRMVJOHQWHWAP-LLVKDONJSA-N 437.374 4.215 5 20 IIBD Cc1c(C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748631839 VURPLVIVOOWQJE-NXEZZACHSA-N 443.300 4.323 5 20 IIBD CC(C)(C)OC(=O)NCC1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 748775521 WJMRKNCBCCBVGV-UHFFFAOYSA-N 446.529 4.095 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1C[C@H]1c1ccc(Br)cc1 748910126 JLUQJXJSCDVYJB-JKSUJKDBSA-N 444.241 4.254 5 20 IIBD O=C(Cc1cccc2cccnc12)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 750582800 HVICVFKZIDRRBA-UHFFFAOYSA-N 426.270 4.033 5 20 IIBD COc1ccc(-c2cc(COC(=O)c3ccc(Br)cc3[N+](=O)[O-])on2)cc1 750965957 TXNHPSASWNWGIL-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD CCCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)[C@H]1CCCN(Cc2ccccc2)C1 751169711 TWLSZXVUSWLJHN-IBGZPJMESA-N 440.500 4.328 5 20 IIBD CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)OCc1nc3cc([N+](=O)[O-])ccc3o1)O[C@H](C)C2 751662810 NKLINSLKOZZACG-PVUWLOKVSA-N 438.436 4.305 5 20 IIBD O=C(OCCCOc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])c(Br)cc1F 751690500 AEVWHDHJOBBZHJ-UHFFFAOYSA-N 443.181 4.031 5 20 IIBD O=C(CN(Cc1ccccc1)C[C@H](O)c1ccco1)Nc1ccc([N+](=O)[O-])cc1Cl 752351734 DHPPGMSDPHNTGI-IBGZPJMESA-N 429.860 4.016 5 20 IIBD CC(C)(C)O[C@H](C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 754533732 JRTXERVRWBIMGV-RXVVDRJESA-N 440.496 4.299 5 20 IIBD Cc1nc(Cl)sc1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 754575904 HUPFBZWDUDCMTP-ZETCQYMHSA-N 437.783 4.216 5 20 IIBD CCOC(=O)/C=C\c1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1 754964778 CGNYMNZHAVJVQQ-YVMONPNESA-N 437.221 4.325 5 20 IIBD COC(=O)c1ccc(-c2nc(COC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)cs2)cc1 755052034 BWDXXNNFOFJZPP-GFCCVEGCSA-N 444.440 4.491 5 20 IIBD CCOc1cc(COC(=O)[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)ccc1[N+](=O)[O-] 755550603 SVADDERSNIYGRU-NSHDSACASA-N 429.395 4.216 5 20 IIBD CCOc1c(Br)cc(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc1OC 756993106 MMXRCYIDNVFNOX-UHFFFAOYSA-N 443.681 4.348 5 20 IIBD COCCN(C(=O)c1cccc([N+](=O)[O-])c1Br)c1nc2ccccc2s1 757933598 XNMHEUCYGZGPGE-UHFFFAOYSA-N 436.287 4.260 5 20 IIBD CSCc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1I 759352560 RWHJMFMXNZKNGY-UHFFFAOYSA-N 428.251 4.315 5 20 IIBD C[C@@](CO)(NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C1CC1 759536504 SPWLDINXTQJIHC-DTPJYZGHSA-N 437.521 4.412 5 20 IIBD Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 759956578 YSCZOFMSKRLLNO-PMACEKPBSA-N 441.463 4.003 5 20 IIBD O=C(Nc1ccc(F)cc1)c1ccc(CNC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1 760735193 LMMWRLIGKQIDBW-UHFFFAOYSA-N 429.354 4.194 5 20 IIBD CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cc1 764281944 ALSKUZVLYDAVGL-AWEZNQCLSA-N 433.892 4.034 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](CCN2CCCC2=O)c2ccccc21 765076842 HPBINAHRCNXZCZ-PMACEKPBSA-N 435.524 4.306 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1 765583214 ZPTKBYFHNZCNTN-SJLPKXTDSA-N 443.519 4.141 5 20 IIBD O=C(Nc1ccccc1C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1)c1ccc([N+](=O)[O-])cc1Cl 765803191 QALBPVSASFBJPD-JLTOFOAXSA-N 443.887 4.188 5 20 IIBD C[C@H](OC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 766774503 CHTLMXVCRJYNPS-KPXOXKRLSA-N 442.777 4.339 5 20 IIBD CC(=O)Nc1ccc(Cl)c(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 768099539 HEONPXFNHFBHAT-VIFPVBQESA-N 440.239 4.044 5 20 IIBD O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1COC1CCOCC1 768176392 PMXLNUUFAVQUAW-UHFFFAOYSA-N 438.436 4.302 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN3CCC(O)(c4ccccc4C(F)(F)F)CC3)o2)cc1 769836611 VBEQHQTUQLQNLO-UHFFFAOYSA-N 448.401 4.147 5 20 IIBD COCCOc1ccc(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c(Cl)c1 770006303 GDKGJYGTMKAGRJ-UHFFFAOYSA-N 429.654 4.288 5 20 IIBD COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2I)c2ncccc12 770184229 UBBGOZUAWPBXEI-UHFFFAOYSA-N 449.204 4.009 5 20 IIBD CCC(CC)n1nccc1C(=O)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 770866497 XGAOOYZGDHOWLQ-LJQANCHMSA-N 442.516 4.394 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1NC(=O)OC(C)(C)C 772292114 UYQSSVYJWXYCAP-AWEZNQCLSA-N 443.456 4.434 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)c2sc(Br)cc2[N+](=O)[O-])c(F)c1 773605982 NXDXWOCUQINOJK-QMMMGPOBSA-N 431.239 4.050 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(F)c(Br)c2)c(C(F)(F)F)c1 775738133 TYAIFNAPPCQRTR-UHFFFAOYSA-N 444.156 4.283 5 20 IIBD O=C(O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])[C@H]1CC(c2c(F)cccc2F)=NO1 776220749 MORLWJLQIQUZDX-CTNGQTDRSA-N 439.374 4.094 5 20 IIBD O=C(Nc1cccc2c1CCCN2C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 776588370 TUFVSJHPBVZIRH-QHCPKHFHSA-N 435.455 4.472 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@@](O)(c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 777735264 YKNFCYNQEMJFOM-ZCYQVOJMSA-N 449.482 4.316 5 20 IIBD O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc([N+](=O)[O-])c2nsnc2c1 778239479 YKVAISZUFRBZMP-HTQZYQBOSA-N 442.341 4.239 5 20 IIBD O=C(CCCCC(=O)c1ccc(F)cc1)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 778810721 OKNODZLXULCMRQ-SFHVURJKSA-N 432.423 4.438 5 20 IIBD O=[N+]([O-])c1ccc([C@H](O)CN[C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)cc1 779067548 XMSCDJMEVOXSGA-OFNKIYASSA-N 440.883 4.432 5 20 IIBD COc1cccc(-n2nc(C)c([C@H]3COCCN3c3ccc([N+](=O)[O-])cc3F)c2C)c1 779608690 KFCJPSIRZCENMA-OAQYLSRUSA-N 426.448 4.123 5 20 IIBD CC(C)C[C@@H](NC(=O)OC(C)(C)C)c1noc([C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 781611068 WQZOXGFTKHQLFI-WBVHZDCISA-N 445.476 4.455 5 20 IIBD Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1cccc([N+](=O)[O-])c1Br 782167683 QKPYMYYPWADUSK-UHFFFAOYSA-N 443.301 4.214 5 20 IIBD COCCOC(=O)C1=C(C)N(c2ccc(C)cc2C)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])s1 782245202 NGVKJFYCWDIDBR-LJQANCHMSA-N 445.497 4.008 5 20 IIBD O=C(CCN1CCCC[C@H]1c1nc(-c2ccccc2)no1)Nc1cc([N+](=O)[O-])ccc1F 782488132 YCMZDRAUWAKRSM-IBGZPJMESA-N 439.447 4.340 5 20 IIBD O=C(N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 782738384 GKLZEUWXDXBQBP-MRXNPFEDSA-N 430.329 4.306 5 20 IIBD CO[C@@H]1Cc2ccc(NC(=O)CSc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2C1 784219976 AIYMBGMXSZTUSZ-OAHLLOKOSA-N 426.416 4.458 5 20 IIBD COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)OC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c1 784257413 APGDGQFTPQLGIK-HUUCEWRRSA-N 444.484 4.158 5 20 IIBD CCOCN(C(=O)COC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1c(C)cccc1CC 784436221 VICQPLKUBNRJDZ-UHFFFAOYSA-N 439.468 4.131 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)NC[C@H](c2ccccc2)C(C)C)cc1[N+](=O)[O-] 784636853 DRPGHEHPBHLOPX-HNNXBMFYSA-N 448.317 4.160 5 20 IIBD C[C@H](N[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1)c1ccc(N)c([N+](=O)[O-])c1 788615186 VOHBHLUXRJAJEO-RCDICMHDSA-N 443.500 4.160 5 20 IIBD O=C(COC(=O)c1cc(C(F)(F)F)cnc1Cl)Nc1ccc(Cl)c([N+](=O)[O-])c1 789010589 AZSUMHHYFBNKRB-UHFFFAOYSA-N 438.145 4.111 5 20 IIBD CC(C)(COCc1ccccc1)C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791246184 UPQSMKMDXIWPLI-UHFFFAOYSA-N 447.329 4.485 5 20 IIBD CCOC(=O)/C(=C/c1cccc(OCc2ccccc2C(=O)O)c1)c1ccc([N+](=O)[O-])cn1 794945339 ZVYQPOLUJQQGAA-FYJGNVAPSA-N 448.431 4.371 5 20 IIBD CC(C)(C(=O)OCc1nc(O)c2ccc(C(F)(F)F)cc2n1)c1ccccc1[N+](=O)[O-] 796439924 POJAGLGOPHZDJJ-UHFFFAOYSA-N 435.358 4.283 5 20 IIBD C[C@@H](C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1OCCc2sccc21 796486060 DUNZJSUENCMSJO-QLJPJBMISA-N 426.288 4.412 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2CC[C@H](c3ccccn3)C2)c([N+](=O)[O-])c1 798415777 KYEQTTBYDDGELJ-KRWDZBQOSA-N 431.448 4.001 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 801880058 SNJBLFVLEWIRGE-HNNXBMFYSA-N 430.436 4.386 5 20 IIBD C[C@H](OC(=O)c1cscc1Br)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 803772733 WCNJPLKWZOHWNT-ZETCQYMHSA-N 433.667 4.256 5 20 IIBD Cn1cc(-c2nc([C@H]3CCCCCN3C(=O)Nc3cccc([N+](=O)[O-])c3Cl)no2)cn1 809913064 UELWGIVHJZUCMA-OAHLLOKOSA-N 445.867 4.181 5 20 IIBD O=C(COC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])Nc1cc(Cl)ccc1[N+](=O)[O-] 811374010 WUXJWSBJMCTKHG-UHFFFAOYSA-N 448.602 4.259 5 20 IIBD O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CCC(OCC2CCCCC2)CC1 815022203 ZWGZMDCTUIMMSC-UHFFFAOYSA-N 434.917 4.137 5 20 IIBD COc1cc(N2CCC(OC(=O)c3ccc(OC(C)(C)C)cn3)CC2)ccc1[N+](=O)[O-] 815957587 JDRIOLZFKLCTCG-UHFFFAOYSA-N 429.473 4.002 5 20 IIBD CSCc1cnc(CN2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)s1 816502583 HXTFBKBNBPZHNW-UHFFFAOYSA-N 432.493 4.255 5 20 IIBD Cc1cc(C)n(-c2ccc(-c3noc(-c4cc5ccccc5c([N+](=O)[O-])c4N)n3)cn2)n1 904516368 DESSXOMLEWNXDI-UHFFFAOYSA-N 427.424 4.245 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc(-c2noc(-c3cc([N+](=O)[O-])cc4c3OCCO4)n2)c1 904636311 WKJSIXAOBNJCAV-UHFFFAOYSA-N 440.412 4.430 5 20 IIBD Cc1cc(C)cc(OCCC(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)c1 912988884 QFSGJPOFYRFRPX-UHFFFAOYSA-N 438.484 4.468 5 20 IIBD CCN1CCN(c2ccc(N[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c(C)c2)CC1 913112029 NXMJJHVCDIRCDK-INIZCTEOSA-N 445.951 4.138 5 20 IIBD CC(=O)Nc1cccc(NC(=S)/C(=C(/O)c2ccc([N+](=O)[O-])cc2)[n+]2ccccc2)c1 913141376 QUDKEKYZRWSXDB-UHFFFAOYSA-O 435.485 4.164 5 20 IIBD O=C(CCOc1ccc(Cl)c(Cl)c1)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 914811954 FRQLJLOXEHXXCL-UHFFFAOYSA-N 438.223 4.464 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCc4c(cnn4-c4ccccc4)C3)cc2[N+](=O)[O-])CC1 917153418 YBHSBKIJYNNWAP-UHFFFAOYSA-N 445.523 4.215 5 20 IIBD O=C(COC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1)Nc1ccc(OC(F)F)c(Cl)c1 917330260 PFKSWFBZGQTRJG-UHFFFAOYSA-N 439.758 4.126 5 20 IIBD O=C(O[C@@H](C(=O)NCc1ccccc1)c1ccccc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 917331184 NIRQUKPJRKCCIM-JOCHJYFZSA-N 429.432 4.291 5 20 IIBD O=C(NCc1cccc(N2CCOC2=O)c1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 918093244 MBNJOMVGXYFPJG-UHFFFAOYSA-N 433.420 4.274 5 20 IIBD Cc1ccc(-c2noc([C@H](C)OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)cc1F 919227252 MBQMEOCQNYGIBG-NSHDSACASA-N 430.348 4.227 5 20 IIBD CCO[C@@H](C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccccc1 920691025 VHFDXZUGPAEEPA-YVEFUNNKSA-N 440.374 4.262 5 20 IIBD C[C@H](OC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)c1ccc(OC(F)F)cc1 920778479 SIZGARYDQRWEHQ-WDEREUQCSA-N 443.786 4.432 5 20 IIBD C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 1319482084 JDKUEQZPGIZVTN-KBPBESRZSA-N 427.892 4.331 5 20 IIBD Cn1cc(C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c(C(F)(F)F)c1 1320513761 MQDYQEAIDKQIDM-UHFFFAOYSA-N 433.342 4.424 5 20 IIBD Cc1cccc(OCc2nnc(-c3cc([N+](=O)[O-])ccc3I)o2)c1 1323867923 OPLOWFQLCVWZLC-UHFFFAOYSA-N 437.193 4.137 5 20 IIBD O=C(NCc1ccco1)[C@H]1CCCN1Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 1336944187 YGGLJBGKMULMBH-GOSISDBHSA-N 429.860 4.382 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)Cc4cccc([N+](=O)[O-])c4)CCC3)cc2)nc1 1787479126 GIESMKROCCASPW-UHFFFAOYSA-N 444.491 4.289 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)Nc1ccc(C2(NC(=O)c3ccno3)CCC2)cc1 1790770370 AJQPCHHWXVOXPG-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])NC1(c2ccc(NC(=O)C3=COCCC3)cc2)CCC1 1791640854 MAKYFLKSTJQBGQ-MDWZMJQESA-N 447.491 4.436 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)sc1Cl)c1ccc([N+](=O)[O-])o1 1798981580 RRKNRCVMIXYGLG-ILWJIGKKSA-N 444.296 4.122 5 20 IIBD C/C(=C\c1cccs1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc([N+](=O)[O-])c1 1800521478 CFJNLOOXXHIYTK-CXWYDIKBSA-N 443.500 4.151 5 20 IIBD O=C(CCC1CCC1)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)[nH]n1 1815046189 QAEPQICPKMZIGH-MZEUMTGBSA-N 441.488 4.197 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@]2(C)C[C@H]2C)n[nH]1 1820772041 PYYPWRRKALTJGC-IPTDYSPRSA-N 443.479 4.117 5 20 IIBD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2Cl)CC1 1829895475 YLTBJJBAKCAFIK-LJQANCHMSA-N 444.919 4.123 5 20 IIBD O=C(C1CCC1)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1832903050 MNFDSMSXRIXCHS-RJRNSMGGSA-N 425.529 4.028 5 20 IIBD O=C(Nc1cc2c(cc1Cl)OCCCO2)c1ccc(Br)c([N+](=O)[O-])c1 11004860 BZRNMVOFYRBOCI-UHFFFAOYSA-N 427.638 4.424 5 20 IIBD CCOc1ccc(CCC2CCN(C(=O)c3cc(C(=O)OC)cc([N+](=O)[O-])c3)CC2)cc1 11197513 RUELMMOPLCPKQF-UHFFFAOYSA-N 440.496 4.265 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)Cn1cnc2sc(-c3ccccc3)c(C)c2c1=O 17130394 DIQNVYHQAMDLTO-UHFFFAOYSA-N 434.477 4.289 5 20 IIBD COc1ccc(NC(=O)c2ccc(NC(=O)COc3ccc([N+](=O)[O-])c(C)c3)cc2)cc1 21587538 MYYRXIGFCFLJEE-UHFFFAOYSA-N 435.436 4.182 5 20 IIBD COc1cc(C(=O)NCCN2CCCCC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 58980539 TXRLTLGUQPWLJV-UHFFFAOYSA-N 433.892 4.265 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 59742082 MJCLIDVUSJIEQJ-MRXNPFEDSA-N 426.231 4.284 5 20 IIBD CCOCCOc1c(Cl)cccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1CC 62930344 CBUAEYZZZYDNDA-UHFFFAOYSA-N 428.894 4.027 5 20 IIBD COc1ccc(Cl)cc1-c1n[nH]c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)n1 68915391 HSCSOZJLAHWLNA-SNVBAGLBSA-N 433.877 4.161 5 20 IIBD Cc1c(C(=O)NC2c3ccccc3Oc3ccccc32)nnn1-c1cccc([N+](=O)[O-])c1 111076089 BOWJPXFOFQIXER-UHFFFAOYSA-N 427.420 4.109 5 20 IIBD Cc1cc(Sc2nnc(CN3CCCC3)n2-c2ccc(Cl)cc2)ncc1[N+](=O)[O-] 301413899 AVPYUTFJNYWVEW-UHFFFAOYSA-N 430.921 4.279 5 20 IIBD COC[C@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Cl)cc1 426594596 GHHFPHNUMPCPFT-FQEVSTJZSA-N 433.892 4.189 5 20 IIBD COC(=O)[C@@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(OC(F)F)cc1 428056349 HCAXFNHSYTVZCH-IBGZPJMESA-N 432.379 4.460 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@@H](OCC3CC3)C2)cc1 428112931 CDFLOESOOUJCCR-HXUWFJFHSA-N 426.469 4.427 5 20 IIBD Cn1cc(C(=O)NCc2nc(-c3ccccc3F)cs2)c(-c2ccc([N+](=O)[O-])cc2)n1 428557631 JHZSNDABWASKLZ-UHFFFAOYSA-N 437.456 4.188 5 20 IIBD Cc1cc([C@@H](C)NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c(C)s1 430313985 WKOPLFYIDDPMNY-SNVBAGLBSA-N 440.319 4.160 5 20 IIBD COc1cc(F)c([C@@H](C)NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1OC 430926468 GMZCXEIJYZVVOU-SECBINFHSA-N 427.226 4.005 5 20 IIBD CC(C)c1[nH]nc(C(=O)N[C@H]2c3cc(Br)ccc3SC[C@H]2C)c1[N+](=O)[O-] 433772427 CRYOIRAXSCBOPE-YMTOWFKASA-N 439.335 4.417 5 20 IIBD CC(C)c1[nH]nc(C(=O)N(Cc2cc(Br)ccc2F)C(C)C)c1[N+](=O)[O-] 434190222 HKBRKJVGAOWHLQ-UHFFFAOYSA-N 427.274 4.394 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC[C@H]1CCCN(c2ccccc2)C1 434417844 XLRPCDHEAJRHRH-OAHLLOKOSA-N 436.434 4.329 5 20 IIBD CC[C@@](C)(COc1ncccc1Cl)NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] 435460207 QKQAMQPDKQFXAS-IBGZPJMESA-N 439.921 4.351 5 20 IIBD O=C(NCc1cccc(OC(F)F)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436231924 IIQILDSDFPIHMA-UHFFFAOYSA-N 430.357 4.491 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 436971965 LXXLEHJZEFEAQJ-UHFFFAOYSA-N 425.268 4.429 5 20 IIBD COc1cc(C(=O)N[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)c([N+](=O)[O-])cc1OC(F)F 437492426 CCSONDIOBYATEE-MJHDQNEOSA-N 428.338 4.159 5 20 IIBD COC(=O)c1cc2cc(NC(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)ccc2o1 437780821 YRABFLHFWIOJLE-UHFFFAOYSA-N 439.424 4.203 5 20 IIBD COc1cc(CCNC(=O)Nc2ccc(CC(F)(F)F)cc2)c([N+](=O)[O-])cc1OC 438363599 LBKNCLMJEJIFSG-UHFFFAOYSA-N 427.379 4.081 5 20 IIBD Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 439111887 NRILZAANZLQVKV-HOTGVXAUSA-N 431.920 4.096 5 20 IIBD O=C(NCC(=O)N1CCCc2ccccc21)c1ccccc1Sc1ccccc1[N+](=O)[O-] 440692852 NAXVODKBEMRUAV-UHFFFAOYSA-N 447.516 4.455 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N(Cc1ncc[nH]1)c1ccc(Br)c(Cl)c1 440898774 FVOSIGFKBAISCP-UHFFFAOYSA-N 425.626 4.174 5 20 IIBD CCCN(C(=O)CSc1nnc(C)n1-c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 441474250 GGLZNUQPOSIYIO-UHFFFAOYSA-N 441.513 4.028 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCc2ccc([N+](=O)[O-])cc2C1 444228630 RONXVEOCGQIKHY-UHFFFAOYSA-N 435.386 4.066 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 444245136 KGLITDOBXHFSDB-SPLOXXLWSA-N 437.490 4.048 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C 444733965 XWVMQOBIOPDSPO-VLIAUNLRSA-N 433.892 4.047 5 20 IIBD C[C@@H](NC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1cccc(OCc2ccccn2)c1 445259830 FARBCZXUVSLUIF-OAHLLOKOSA-N 446.467 4.006 5 20 IIBD CC(C)n1cnnc1-c1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 446211042 OJUUCJSYYCGRGW-UHFFFAOYSA-N 444.289 4.378 5 20 IIBD O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 446268705 GGPLAXODRWHLIK-OAHLLOKOSA-N 449.276 4.160 5 20 IIBD O=C(C[C@@H]1CCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccc(F)cc1 448434772 IAVDAMXEYKNGRZ-INIZCTEOSA-N 435.249 4.374 5 20 IIBD Cn1ccc([C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c2ccc(Cl)cc2)n1 460233599 VDWQAXKZSZRTGX-NRFANRHFSA-N 439.903 4.445 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(-c2cccn2C)n1C[C@H]1CCCCO1 461647315 AOSPNASOCMXEHQ-HXUWFJFHSA-N 438.532 4.176 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@H](C)CC(C)(C)OC)c([N+](=O)[O-])c1 462912012 VMMXXPBLHDSSEP-MRXNPFEDSA-N 435.546 4.426 5 20 IIBD Cn1c(CCNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])nnc1-c1ccccc1 463248025 PPDMWRYHPOQPKB-UHFFFAOYSA-N 427.464 4.276 5 20 IIBD O=C(NCc1cc(Br)cc2c1OCC2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 463256039 IXTCECZGROXCAJ-UHFFFAOYSA-N 446.301 4.166 5 20 IIBD C[C@H](C(=O)Nc1ccc(Cc2nnc3n2CCCCC3)cc1)c1ccc([N+](=O)[O-])cc1F 464113395 WSGUVAMURCFVLM-HNNXBMFYSA-N 437.475 4.385 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 465783254 OLACZJHZUFWXQH-UHFFFAOYSA-N 436.443 4.028 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)NC(C)(C)c2nc(C(F)(F)F)cs2)cc1[N+](=O)[O-] 466896388 SHLIHEDPALVQLY-UHFFFAOYSA-N 443.856 4.246 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 469059294 VRIJOEWWYVIGSP-VQIMIIECSA-N 427.526 4.459 5 20 IIBD COC(=O)C[C@@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 470132003 JPSPPSUAYZUSEE-OAHLLOKOSA-N 429.326 4.179 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H]2CCCO[C@H]2c2ccc(C)cc2)cc1[N+](=O)[O-] 470256281 URHCCXXAFZKIDD-GCJKJVERSA-N 430.526 4.182 5 20 IIBD COc1c(C)cnc(CN2CCC(N(C)C(=O)Nc3ccc([N+](=O)[O-])c(C)c3)CC2)c1C 473771850 RITSKIITWWLGHX-UHFFFAOYSA-N 441.532 4.052 5 20 IIBD COc1ccc(-c2ccc(CNCCCCn3cc(Br)cn3)o2)c([N+](=O)[O-])c1 475204537 HGUYIUJLMRTWHJ-UHFFFAOYSA-N 449.305 4.392 5 20 IIBD C[C@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Br)cn1 475226926 ASPCBPPGPZEMDG-ZDUSSCGKSA-N 449.305 4.066 5 20 IIBD CCOC[C@H]1CCN(C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 477605346 BCPLWKWDIJJKOG-HNNXBMFYSA-N 428.510 4.046 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H](OC)c1ccccc1Cl 479778617 BLAWCZPMHHIBNW-DJJJIMSYSA-N 438.933 4.493 5 20 IIBD C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 480300024 LPEDAFLLZDDWMO-LLVKDONJSA-N 438.410 4.471 5 20 IIBD COCCNc1ccccc1NC(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 480809517 CISIEWOMYJBNGG-CALCHBBNSA-N 426.517 4.388 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1cc(N2CCCC2=O)ccc1Cl 481658639 PUHLKFIZFQYZPS-UHFFFAOYSA-N 437.283 4.393 5 20 IIBD COC(=O)c1csc(-c2cccc(CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)n1 481865570 LQDXQYLIEPMCSG-UHFFFAOYSA-N 431.857 4.088 5 20 IIBD CC(C)Oc1ccc(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c(F)c1 485163451 GZCAUEIMJLOPDO-UHFFFAOYSA-N 433.255 4.084 5 20 IIBD COc1ccc(NC(=O)c2cc(C(=O)O)cc([N+](=O)[O-])c2)cc1NC(=O)C1CCCCC1 485758668 WUSWRZZUICLTIT-UHFFFAOYSA-N 441.440 4.073 5 20 IIBD CCN(CC)CCNC(=O)c1cccc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 487908636 JTKAZWZWJGSDAN-UHFFFAOYSA-N 440.544 4.216 5 20 IIBD CCCOc1cc(NC(=O)c2ccccc2N2CCOCC2)c([N+](=O)[O-])cc1OCCC 488839538 PIAPHTCSUBBECQ-UHFFFAOYSA-N 443.500 4.261 5 20 IIBD COc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)s3)o2)c([N+](=O)[O-])c1 488848155 BSLUCVOXQFWHMN-UHFFFAOYSA-N 426.863 4.099 5 20 IIBD O=C(Nc1nnc(/C=C/c2ccco2)s1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 490298555 GJTZPMJXSDIDCG-BQYQJAHWSA-N 425.470 4.065 5 20 IIBD CCN(CC)Cc1cccc(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 494659947 CUTZBEZJDUCSRC-UHFFFAOYSA-N 438.450 4.455 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NCc1cc(Cl)c2c(c1)OCCO2 494688853 JCKGLNWQWWPMLN-UHFFFAOYSA-N 445.781 4.038 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1nc2c(F)cccc2n1C 495114313 ANRZCVDYMFAJRJ-UHFFFAOYSA-N 430.505 4.341 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cccc(Cl)c2OCC(F)F)cc1[N+](=O)[O-] 498975964 FRUCBURNJCJUAH-NSHDSACASA-N 441.818 4.016 5 20 IIBD Cc1ccnc(Oc2cc(NS(=O)(=O)CCc3ccccc3[N+](=O)[O-])ccc2C)c1 499282629 JXGXZXCJNYBVAL-UHFFFAOYSA-N 427.482 4.383 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccc[nH]2)c([N+](=O)[O-])cc1OC 499349669 IPZZAJILKHKYRH-UHFFFAOYSA-N 443.843 4.467 5 20 IIBD C[C@@H](Nc1ccc(CC(=O)N2CCc3ccccc32)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 501972134 UTLNCRLVAMHJKE-QGZVFWFLSA-N 444.491 4.166 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 503561618 DSKLVPNWQOZADS-AQNXPRMDSA-N 449.429 4.328 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N(Cc1cccc(F)c1)C1CC1 509004493 KGVCRXOZHCSUMR-UHFFFAOYSA-N 440.212 4.143 5 20 IIBD COc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)cc1 509155836 UJSZUBSNXFKVNR-LLVKDONJSA-N 440.237 4.007 5 20 IIBD Cn1nc(-c2cccc(C(F)(F)F)c2)cc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 509268941 RAYZWIICPMUMQQ-UHFFFAOYSA-N 430.346 4.143 5 20 IIBD COc1ccc(CN2CCC[C@@H](N3CCCC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 510516332 CHXLEXZQSYJAFI-JOCHJYFZSA-N 425.529 4.243 5 20 IIBD CC(C)S(=O)(=O)c1ccc(CC(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)cc1 511006383 AERQNOFEZBTIGC-UHFFFAOYSA-N 430.526 4.295 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 511138713 OULDVIPHLFKGEH-LJQANCHMSA-N 438.509 4.102 5 20 IIBD Cc1ccc(CN(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C(C)C)s1 512784084 UVRKIKZCELHBIN-UHFFFAOYSA-N 431.543 4.295 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)Nc2cccc(CSC3CCCC3)c2)cc1[N+](=O)[O-] 513434022 JZFNPRWFCBJRRV-UHFFFAOYSA-N 434.539 4.426 5 20 IIBD COC(=O)c1cccc([C@@H](Sc2ccc(Br)cc2[N+](=O)[O-])C(=O)OC)c1 513820030 ILPYPPJTNUGFKD-OAHLLOKOSA-N 440.271 4.150 5 20 IIBD CCC(C)(C)OCc1cccc(NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c1C 513836173 CDUYUXAHBYLUPE-UHFFFAOYSA-N 434.514 4.264 5 20 IIBD Cn1cnnc1-c1cncc(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 514041169 LETMELVWSQEZEY-UHFFFAOYSA-N 432.465 4.189 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)N1CCCCC1 516135569 LVTOPSFAGJCDEH-HXUWFJFHSA-N 429.542 4.039 5 20 IIBD CC[C@H](c1ccccc1)c1nnc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)s1 518562845 MVWUCGXOECYPHR-CYBMUJFWSA-N 426.454 4.012 5 20 IIBD C[C@H](CN1CCCC1=O)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 518986017 WPIRXANRWOICIG-CYBMUJFWSA-N 433.917 4.140 5 20 IIBD CC(C)C[C@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N[C@H](C)c1ccccc1 521380261 RSMBWMIHIVPTOG-UYAOXDASSA-N 435.528 4.276 5 20 IIBD Cc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1NC(=O)CN1CCCCC1 521392307 LGWPCWSLWYWPNB-UHFFFAOYSA-N 436.468 4.326 5 20 IIBD CC1CCN(C[C@H]2CCCN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)C2)CC1 522116804 MNKHJFIFGBXLIY-QGZVFWFLSA-N 428.558 4.302 5 20 IIBD CC(C)(C)Cc1nc(-c2cccc(C(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)c2)no1 525006999 VXQFPZWHPLNTSQ-UHFFFAOYSA-N 449.511 4.196 5 20 IIBD CC(=O)N[C@H](CC(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1)c1ccc(F)cc1F 525046505 AOJKASRQVBTUMW-OAQYLSRUSA-N 431.439 4.416 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 534781532 MKZWRONNAKYFIK-INIZCTEOSA-N 446.328 4.429 5 20 IIBD CC[C@H](NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@H](c1ccc(C)cc1)n1cncn1 535172805 IXTSOOIAKAEUBS-AGHHOFFYSA-N 436.516 4.232 5 20 IIBD COc1cc([C@H](C)NCCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cc(OC)c1OC 538126896 SICXGDKIDOQBCT-AWEZNQCLSA-N 427.457 4.169 5 20 IIBD O=C(NCCNc1ncnc2ccc([N+](=O)[O-])cc12)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 538823543 JBUQJMUAQCKRNB-CVEARBPZSA-N 446.294 4.177 5 20 IIBD COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(OCc2ccccc2)cc1 539855960 UYBUHQKHLCUYHK-UHFFFAOYSA-N 428.466 4.121 5 20 IIBD Cc1cc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])ccc1-n1nnnc1C(C)C 542275072 UMPGEKAKHAHOGR-UHFFFAOYSA-N 445.277 4.017 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 542992266 KZMNUKVNHLAAQV-IBGZPJMESA-N 446.385 4.013 5 20 IIBD O=[N+]([O-])c1ccc(SCc2nc(Cc3nc(O)c4c(C5CC5)csc4n3)no2)cc1 546284609 NVRPZKBAVCMOTI-UHFFFAOYSA-N 441.494 4.449 5 20 IIBD Cc1cc(F)ccc1-c1noc(-c2ccc([N+](=O)[O-])cc2I)n1 546495374 OQPKLGMHWLDGHP-UHFFFAOYSA-N 425.157 4.364 5 20 IIBD CCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H]1CCN(Cc2ccccc2)C1 546890713 YKTOGOWZCJRBLL-KRWDZBQOSA-N 432.318 4.094 5 20 IIBD O=c1c(Cl)c(NCc2ccc(OC(F)F)c(F)c2)cnn1-c1ccc([N+](=O)[O-])cc1 549604626 XRVCGCAXFGKAME-UHFFFAOYSA-N 440.765 4.147 5 20 IIBD COc1cc(OC)c2cc(CCCNC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])[nH]c2c1 551514675 KFIZECOKNQEMMP-UHFFFAOYSA-N 425.485 4.120 5 20 IIBD COCCC[C@@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(Cl)cc1 552241415 OODMRAJNEWDSLN-KRWDZBQOSA-N 442.903 4.374 5 20 IIBD Cc1ccc(C[C@H]2CCCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)C2)cc1 557699834 BCUDSYPNQZSCKY-MOPGFXCFSA-N 441.553 4.051 5 20 IIBD CC(C)(C(=O)N[C@H]1CCN(c2ccccc2Br)C1)c1ccccc1[N+](=O)[O-] 559743564 QEOPVNJANIXIAB-AWEZNQCLSA-N 432.318 4.030 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC4(CCOCC4)[C@@H]3C3CC3)cc2[N+](=O)[O-])C1 561592436 DCJOBCMJKRQPNU-YVHKJVDXSA-N 427.545 4.108 5 20 IIBD O=C(Nc1cccc(NS(=O)(=O)Cc2ccccc2)c1)c1cc(Cl)cc([N+](=O)[O-])c1 562874484 SRJVKWSQORQOOA-UHFFFAOYSA-N 445.884 4.442 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@]2(CO)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 564014398 ZHIKSHLGPKXNFX-OYRDERLMSA-N 446.507 4.059 5 20 IIBD Cc1c(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cnn1-c1ccc(Cl)cc1 571916943 FRAQUNOEJLDZKR-UHFFFAOYSA-N 440.891 4.096 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] 572371136 OBAZQYIUMHRZBX-UHFFFAOYSA-N 448.317 4.088 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CNc3ccc(-n4ccc(C(F)(F)F)n4)cc3)n2)cc1 573295272 KNIKYVJBUNWKEW-UHFFFAOYSA-N 430.346 4.461 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(-c3[nH]c4ccc(Br)cc4c3Cl)n2)n1C 578423796 HVPLYDMBFMFWLB-UHFFFAOYSA-N 437.641 4.251 5 20 IIBD Cc1cccc(CN(Cc2ccco2)C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)c1 603521796 IDFFFXANHAFOAR-UHFFFAOYSA-N 431.452 4.228 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)NC[C@@H](CO)Cc3ccco3)cc2[N+](=O)[O-])cc1 603551172 FMWPPPVFMTUPDT-INIZCTEOSA-N 426.494 4.228 5 20 IIBD CCNC(=O)COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cc1 603738315 JFNJQXSECYCXDV-UHFFFAOYSA-N 435.436 4.154 5 20 IIBD COc1cc(CCNC(=O)N(C)Cc2ccccc2C(F)(F)F)c([N+](=O)[O-])cc1OC 603801955 HBGKZABYWOQCSY-UHFFFAOYSA-N 441.406 4.015 5 20 IIBD O=C1CCCN1c1cccc(CN=c2c([N+](=O)[O-])c[nH]c3ccc(Br)cc23)c1 603855597 KCRPWPAQKVKGSO-UHFFFAOYSA-N 441.285 4.066 5 20 IIBD C[C@H]1CCCN(S(=O)(=O)c2ccc(CNc3ccc4cc([N+](=O)[O-])ccc4n3)cc2)C1 603869030 POHQOSZXUJFHGI-INIZCTEOSA-N 440.525 4.176 5 20 IIBD COc1cc(-c2cc3nc(-c4cccc([N+](=O)[O-])c4)[nH]c(=O)c3s2)cc(OC)c1OC 603918276 ADJVWTFWXSGEIH-UHFFFAOYSA-N 439.449 4.253 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)c(Cl)c1 603971665 ZCFWBUUDXZRXHE-UHFFFAOYSA-N 447.904 4.034 5 20 IIBD Cc1ccc(Cc2cnc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3F)s2)cc1F 604028318 UFNYZHCWJDFYOK-UHFFFAOYSA-N 425.438 4.030 5 20 IIBD Cc1nnc(CNC(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)o1 604249011 UTWXTWAMQQQHFB-GDNBJRDFSA-N 435.465 4.143 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3nnc(Cc4ccccc4)s3)cc2)c(C)c1[N+](=O)[O-] 604468090 HEMZRZKUWUNZET-UHFFFAOYSA-N 448.508 4.151 5 20 IIBD C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC/C=C/c2ccc(Br)cc2)C1=O 609749874 FLDVBHBATIJEGS-ZFDYTMOGSA-N 444.285 4.228 5 20 IIBD CCCCC(=O)N1CSC[C@H]1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609755373 IXOIENKHKYRGIP-IBGZPJMESA-N 429.498 4.417 5 20 IIBD O=C(Nc1ccnc(Oc2ccccc2Cl)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 609816249 WWJHNDVKAFFKFU-UHFFFAOYSA-N 436.815 4.269 5 20 IIBD CC[C@](C)(O)CNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 609817898 RXKSBNKLCZEKIG-IBGZPJMESA-N 425.844 4.140 5 20 IIBD Cc1ccc(NCCCNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c([N+](=O)[O-])c1 610052530 JWKZUDZMXHMJOU-UHFFFAOYSA-N 432.480 4.388 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1C[C@H]1c1cccc(F)c1F 610196199 MSTXVALSCBQPPE-STQMWFEESA-N 429.345 4.224 5 20 IIBD COc1ccc2c(c1)CC[C@@H](NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 612084530 IDFLSSJJRXOSBV-OAHLLOKOSA-N 440.443 4.388 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC([C@@H]3CCOC3)CC2)cc1 612345563 ADUCXLPSWLPHCA-QGZVFWFLSA-N 426.469 4.284 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1 725747820 UDGMSIGBVPDALM-DHZHZOJOSA-N 432.480 4.044 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)C(C)(C)c1cccc(C(F)(F)F)c1 727219953 LGZZDQKVBWBSTP-UHFFFAOYSA-N 440.374 4.082 5 20 IIBD COc1ccc(Br)cc1COC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] 728461333 XRJOZYLBTBLWFF-UHFFFAOYSA-N 442.287 4.453 5 20 IIBD Cc1cc(C(=O)NC[C@@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)cc([N+](=O)[O-])c1 728967384 AMYDWWAMFXFEJK-MRXNPFEDSA-N 436.308 4.102 5 20 IIBD O=C(NCC1(c2ccccc2Cl)CCOCC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 729982622 BSWBWHPOUCQHCV-UHFFFAOYSA-N 443.931 4.327 5 20 IIBD Cc1nc(C)c([C@H](C)N(C)C(=O)c2cc([N+](=O)[O-])ccc2I)s1 730202931 TZDVBOMXYRFNFT-VIFPVBQESA-N 445.282 4.106 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 730251256 RIJNFFQWOKYPMZ-CQSZACIVSA-N 446.529 4.095 5 20 IIBD O=Cc1ccc(OCC(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)c([N+](=O)[O-])c1 731620195 SOODNYJNFXQJSE-UHFFFAOYSA-N 441.827 4.052 5 20 IIBD O=C(Nc1nc(-c2ccc(-n3cccn3)cc2)cs1)c1cc(F)c(F)cc1[N+](=O)[O-] 732746400 LOYYAMJDQLQAMM-UHFFFAOYSA-N 427.392 4.435 5 20 IIBD C[C@@H](OC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc(Cl)ccc1F 735147204 CMIZKSIZIVPHKP-SNVBAGLBSA-N 445.230 4.380 5 20 IIBD CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)c1ccc(F)cc1F 738401693 SNZRPUZRSVUIMU-CQSZACIVSA-N 435.246 4.065 5 20 IIBD COc1cc(N2CCC(OC(=O)CCOc3ccc(C)cc3C)CC2)ccc1[N+](=O)[O-] 739380891 OXCZIJFHBJGUQD-UHFFFAOYSA-N 428.485 4.201 5 20 IIBD COc1cc(N2CCC(OC(=O)c3cccc(Br)c3)CC2)ccc1[N+](=O)[O-] 739385403 PHQQNUSHDVMBEQ-UHFFFAOYSA-N 435.274 4.192 5 20 IIBD CN(Cc1ccon1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 739803681 BIPVBPVHHQYFKY-UHFFFAOYSA-N 434.496 4.314 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)Nc1cc(Cl)ccc1F 740424113 ZKXAXZJKCONQOP-QMMMGPOBSA-N 445.628 4.334 5 20 IIBD CCN(CC)C(=O)c1ccccc1NC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] 740443793 PRUKWUGCIBUASG-UHFFFAOYSA-N 427.505 4.009 5 20 IIBD CCOC(=O)c1cc(Br)ccc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 741574272 FCBRFOWCPHUYJY-UHFFFAOYSA-N 427.638 4.440 5 20 IIBD CC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc(I)c([N+](=O)[O-])c1 741967807 ZJRIMRHZOFBQGN-OAHLLOKOSA-N 438.265 4.293 5 20 IIBD COc1ccc([C@@H](NCc2cc(F)ccc2[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 742266121 JQRLGEKTZWYNBS-JOCHJYFZSA-N 444.484 4.025 5 20 IIBD CN(C(=O)OC(C)(C)C)c1ccc(OC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1 742765287 DXFLGZRTQWEQCD-UHFFFAOYSA-N 438.440 4.371 5 20 IIBD C[C@H](OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)Nc1cccc2ccccc12 743121663 IZACXIGLGLXVGX-HNNXBMFYSA-N 430.420 4.118 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1F)c1cccc(CS(=O)(=O)c2ccccc2)c1 746967234 DRKVOVMIRZGZFC-UHFFFAOYSA-N 429.425 4.065 5 20 IIBD C[C@@H]1CC[C@@H](C)N1CCN1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 748794079 QWUGDRWLZKFEGW-ZIAGYGMSSA-N 434.890 4.262 5 20 IIBD Cc1c(C(=O)Nc2ccnn2[C@H]2CCCc3ccccc32)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 751109456 XHAPDIGQIXRYTA-SFHVURJKSA-N 435.440 4.494 5 20 IIBD CCn1c(SC[C@@H](O)c2ccccc2Br)nnc1-c1ccc([N+](=O)[O-])cc1 751579560 DSEKTZUHFSAWOI-MRXNPFEDSA-N 449.330 4.461 5 20 IIBD C[C@@H](C[C@H](O)c1cccs1)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 751942070 LQSYNUAZXWDTTO-LIRRHRJNSA-N 447.538 4.381 5 20 IIBD O=Cc1ccc(OCC(=O)NCCc2ccc(Oc3ccc(F)cc3)cc2)c([N+](=O)[O-])c1 752404228 WAVATRXBNFSBEX-UHFFFAOYSA-N 438.411 4.076 5 20 IIBD CCOc1cc(COC(=O)c2nccnc2-c2nc3ccccc3s2)ccc1[N+](=O)[O-] 755528164 DSBFSPJJBJQTNS-UHFFFAOYSA-N 436.449 4.417 5 20 IIBD CCc1nnc(C)cc1C(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 758828184 YMGVARPJHOBLTR-UHFFFAOYSA-N 440.843 4.381 5 20 IIBD CCCCCCN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 759222319 HBZCXAHORVBGHH-UHFFFAOYSA-N 440.525 4.494 5 20 IIBD O=C(CCc1cc(Br)cs1)O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 759926122 AHGQZSXYQFHPNB-UONOGXRCSA-N 428.308 4.275 5 20 IIBD CC(C)[C@@H](NC(=O)OC(C)(C)C)c1noc(-c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)n1 762026287 MNSQPJWYLCXLHV-MRXNPFEDSA-N 428.449 4.052 5 20 IIBD CC(C)(C(=O)OCc1nc(-c2cc(F)c(F)c(F)c2)no1)c1ccc([N+](=O)[O-])cc1F 762987212 DLBSWLCCIWOMGT-UHFFFAOYSA-N 439.321 4.222 5 20 IIBD COc1cc(CNC[C@@](C)(O)c2cccc(Cl)c2)c([N+](=O)[O-])cc1OCC(F)(F)F 764984389 VHTHAGDXWVKWFO-GOSISDBHSA-N 448.825 4.195 5 20 IIBD COc1cc(COC(=O)CCc2nnc(-c3cc4ccccc4o3)o2)c([N+](=O)[O-])cc1F 766202757 RXBIXJYPRHBVDY-UHFFFAOYSA-N 441.371 4.215 5 20 IIBD Cc1ncc(CCNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)s1 772215749 WQVQYPHFQUHRDJ-UHFFFAOYSA-N 447.520 4.114 5 20 IIBD COc1cc(COC(=O)c2sc(Br)cc2[N+](=O)[O-])ccc1OC(F)F 773604469 UPUAHNNUGHDOMD-UHFFFAOYSA-N 438.202 4.386 5 20 IIBD CCOc1cc(C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)ccc1OCc1cccnc1 773989941 MKVCWDINTMPLMU-UHFFFAOYSA-N 433.464 4.479 5 20 IIBD O=C(COC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)Nc1ccccc1[N+](=O)[O-] 774049625 UZXDUOAONLOAKH-UHFFFAOYSA-N 442.431 4.243 5 20 IIBD O=C(Nc1ccc(F)c(Cl)c1)C1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 774882714 ARSMFQAIPVGADY-UHFFFAOYSA-N 436.827 4.146 5 20 IIBD CC(C)(C)OC(=O)NC1(CC(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])CCC1 776134533 CTEBEXMUEMKGLH-HXUWFJFHSA-N 441.484 4.460 5 20 IIBD CN1CC[C@@H](CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 778057006 RGTFFDPKWNNYNV-SCLBCKFNSA-N 441.837 4.288 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 778767133 LAYXAIPBWRGKKI-GOSISDBHSA-N 440.830 4.435 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@H](O)c1c(Cl)cccc1Cl 778931144 RZFUQEKJTOBQPH-GLEZIHRCSA-N 435.210 4.355 5 20 IIBD C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 780947783 KFDCPTWFYHDLHN-DOTOQJQBSA-N 435.524 4.199 5 20 IIBD CC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 781258782 DJABLHLZSFKCSH-AWEZNQCLSA-N 428.444 4.068 5 20 IIBD CC(C)[C@@H]1C[C@H](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)CCO1 781629022 RCQNUQDNHILSTP-BEFAXECRSA-N 443.466 4.104 5 20 IIBD CC(C)(C)[C@H](COc1ccccc1F)NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781639472 VCTZCCCYIQTASV-IBGZPJMESA-N 433.436 4.185 5 20 IIBD COc1ccccc1-c1nc(COC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cs1 781737430 NQKKSHDHAZRTNT-UHFFFAOYSA-N 443.437 4.311 5 20 IIBD CC[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br)c1ccc(C)cc1 784611636 IUQCNCPWYJFTEP-HNNXBMFYSA-N 434.290 4.180 5 20 IIBD CC(=O)Nc1ccc(C(=O)COC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1 787247793 PIQSMICEZKZRJM-UHFFFAOYSA-N 448.431 4.172 5 20 IIBD CS(=O)(=O)CC[C@@H](C(=O)Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-])c1ccccc1 789412885 OEMJUJJLPCVUIT-HXUWFJFHSA-N 439.489 4.386 5 20 IIBD CCOc1c(Cl)cccc1CC(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 791804628 JELFHWLXCMUMQF-INIZCTEOSA-N 446.887 4.037 5 20 IIBD CC(C)(C)c1noc(-c2ccccc2C(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 791827097 WGNLPHXGPGRTFW-UHFFFAOYSA-N 426.385 4.208 5 20 IIBD C[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1OCCCO 794788834 YHYNJXIZWVSORX-SEIPJRMCSA-N 449.301 4.009 5 20 IIBD CC(C)c1[nH]nc(C(=O)O[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c1[N+](=O)[O-] 796258037 VYJWTQJPHCNMJS-LJQANCHMSA-N 426.404 4.117 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)NS(=O)(=O)CCC(F)(F)F)cc2[N+](=O)[O-])cc1 797262917 XIMIXFYNBIGAHP-UHFFFAOYSA-N 448.444 4.066 5 20 IIBD Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N(C)c1ccc(Cl)cc1F 797819104 FEOUZAYMOVAOMJ-UHFFFAOYSA-N 437.674 4.283 5 20 IIBD CO[C@@H](C)c1nc(Cc2noc(-c3cc([N+](=O)[O-])ccc3N3CCCCC3)n2)cs1 809444633 JVDITZVWZSIESW-ZDUSSCGKSA-N 429.502 4.390 5 20 IIBD CCOc1ccc([C@@H](O)C2CCN(c3ncc(Br)cc3[N+](=O)[O-])CC2)cc1 812482279 IVYXAGRFDAEHER-GOSISDBHSA-N 436.306 4.101 5 20 IIBD CCOc1ccc([C@@H](O)C2CCN([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1 812864603 RPCFDBDTGVNOEV-GAJHUEQPSA-N 441.528 4.075 5 20 IIBD Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 812989816 QAULIWWNDQVEPM-OAHLLOKOSA-N 440.308 4.364 5 20 IIBD C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](OC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1=O 816402382 IXNWSCDCFHTLIE-LHSJRXKWSA-N 439.443 4.053 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)c1 816846483 BCUOQQXDPVOBLU-AWEZNQCLSA-N 435.546 4.369 5 20 IIBD C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(N2CCCOC2=O)cc1 817314473 RNNIUDIKZQAFHR-GFCCVEGCSA-N 448.273 4.195 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CSc1nnc(-c2cc(Cl)ccc2Cl)n1N 849210061 PZJIKNIIATXBOD-UHFFFAOYSA-N 426.285 4.175 5 20 IIBD CC(C)(C)OC(=O)NC1(c2noc(-c3ccc4c(c3[N+](=O)[O-])OCCCO4)n2)CCCC1 904422222 KFSCHCHTLKNKSY-UHFFFAOYSA-N 446.460 4.100 5 20 IIBD Cc1sc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c(C(N)=O)c1-c1ccccc1 915844649 VFOMIDJILSRDSA-UHFFFAOYSA-N 447.476 4.169 5 20 IIBD Cc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)sc1Cc1ccccc1 916499394 RYGZGQSWSFBUAY-UHFFFAOYSA-N 438.509 4.039 5 20 IIBD Cc1cccc([C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2I)c1 917867439 XODBUYDLRJFXDL-QGZVFWFLSA-N 436.249 4.485 5 20 IIBD CC(=O)N1CCN(c2ccc(C(=O)O[C@H](C)c3ccc4ccccc4c3)cc2[N+](=O)[O-])CC1 917963196 WKXCVJRSPJWOKX-QGZVFWFLSA-N 447.491 4.335 5 20 IIBD CC(C)(C)[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccc(F)cc1 918627118 IVQAUTUZBJZEKL-XOBRGWDASA-N 431.439 4.130 5 20 IIBD O=C(Oc1ccc2cc(Br)ccc2c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 920088088 WMJNFHRQFFNKLO-UHFFFAOYSA-N 439.225 4.310 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Oc2cccc(C(=O)NC3CC3)c2)cc1[N+](=O)[O-])c1ccccn1 920113089 PRLCWQBDHHMUOS-OAHLLOKOSA-N 446.463 4.274 5 20 IIBD COc1ccc(-c2cc(NS(=O)(=O)c3ccc(OC)cc3[N+](=O)[O-])ccc2OC)cc1 1317817345 MULLVWLXRJVVAN-UHFFFAOYSA-N 444.465 4.088 5 20 IIBD O=C(COc1ccc(Cl)cc1Br)N1CCCc2ccc([N+](=O)[O-])cc21 1318963541 YLSWRAGYIZXNSL-UHFFFAOYSA-N 425.666 4.369 5 20 IIBD O=C(COC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1)Nc1ccc(F)c([N+](=O)[O-])c1 1319710241 AOJBUAJKUKVJPX-UHFFFAOYSA-N 425.294 4.030 5 20 IIBD O=c1c2ccccc2c(-c2nnc(-c3ccccc3[N+](=O)[O-])o2)nn1Cc1ccccc1 1326190480 VJRGWDVESCMJMV-UHFFFAOYSA-N 425.404 4.070 5 20 IIBD CN(CCC1CCN(c2ccncc2)CC1)Cc1ccc([N+](=O)[O-])cc1Br 1338317776 FBFUHBNBQULCFW-UHFFFAOYSA-N 433.350 4.491 5 20 IIBD Cc1ncsc1C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1 1785748590 WBUWXKZXOSWYEX-UHFFFAOYSA-N 426.454 4.014 5 20 IIBD COc1cc(C(=O)NC2(c3ccc(NC(=O)C4=CCCC4)cc3)CCC2)ccc1[N+](=O)[O-] 1787625115 LRHZOCWQGPXODE-UHFFFAOYSA-N 435.480 4.461 5 20 IIBD Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(C)c([N+](=O)[O-])cn4)cc3)CCC2)n1 1788764651 FZJBJWDUYDOLIX-UHFFFAOYSA-N 445.479 4.063 5 20 IIBD CCCCC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3n[nH]cc3[N+](=O)[O-])CCC2)cc1 1791314041 IHQICGDGOJSWCI-OAHLLOKOSA-N 427.505 4.282 5 20 IIBD CC[C@H](C)[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C2)c1ccccc1 1795574987 SOTHFZIXPRBWAP-WTLZFGJLSA-N 438.528 4.005 5 20 IIBD CC1(C(=O)N2CCCC3(CCN(C(=O)Cc4cc([N+](=O)[O-])ccc4F)CC3)C2)CCCC1 1804982715 NLDHAMKXALERKL-UHFFFAOYSA-N 445.535 4.088 5 20 IIBD O=C(Cc1cc(F)ccc1[N+](=O)[O-])N1CCC([C@@H]2CCCCN2C(=O)CC2CCC2)CC1 1832837943 MPWRAHKJOAKRGH-NRFANRHFSA-N 445.535 4.086 5 20 IIBD CC1CCN(c2ccc(C(=O)O[C@H](C)C(=O)Nc3cccnc3Cl)cc2[N+](=O)[O-])CC1 15816548 NJOCNPHHCBYDGA-CQSZACIVSA-N 446.891 4.064 5 20 IIBD C[C@@H](OC(=O)CCCc1ccc(Br)s1)C(=O)Nc1cccc([N+](=O)[O-])c1 16257131 YKTZHYQIZDHQTO-LLVKDONJSA-N 441.303 4.312 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)nnc1C1CC1 17827718 YIQNYYGJJMJKBQ-VIFPVBQESA-N 429.424 4.222 5 20 IIBD O=C(NC[C@H]1CCCO1)Nc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 21208036 UFNKHXOATNKQHT-QGZVFWFLSA-N 440.481 4.362 5 20 IIBD C[C@@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)Nc1ccc(Cl)cc1 24499018 RCTODTLUYNCMOQ-CQSZACIVSA-N 431.876 4.035 5 20 IIBD CCN1CCN(c2ccc(NC(=O)c3ccc(Br)c([N+](=O)[O-])c3)c(C)c2)CC1 26909087 UGQRNTGMOYJVIU-UHFFFAOYSA-N 447.333 4.060 5 20 IIBD CCCCN1C(=O)CC[C@H](C(=O)OCc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1OC 28238256 LNPQROTZALFIFZ-WMZHIEFXSA-N 440.496 4.427 5 20 IIBD Cc1c(NC(=O)C[C@@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)cccc1[N+](=O)[O-] 58163396 DYRRZEZMLDDTML-HXUWFJFHSA-N 434.452 4.434 5 20 IIBD O=[N+]([O-])c1cc(I)ccc1N1CCC(c2nc3ccccc3[nH]2)CC1 58194291 MOZJNFHXWRWZPY-UHFFFAOYSA-N 448.264 4.460 5 20 IIBD CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc1Cl 60442918 BFPRLPBWVBJBKT-UHFFFAOYSA-N 439.921 4.148 5 20 IIBD Cc1cc(F)ccc1NC(=O)c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 60487880 CGFDRVQIOMXJME-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD C[C@@H]1CN(C(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 63831387 QIFNCWATGVPBAE-OAHLLOKOSA-N 437.477 4.160 5 20 IIBD CCCc1[nH]nc(C(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)c1[N+](=O)[O-] 78773388 DPANPNYXQRZHCO-UHFFFAOYSA-N 429.380 4.074 5 20 IIBD COc1cc([C@H](C)NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)ccc1OC1CCCC1 109264273 PLMZHVLTXFJABE-AWEZNQCLSA-N 432.448 4.320 5 20 IIBD COc1ccc(C2=NN(C(=O)CNc3cccc([N+](=O)[O-])c3C)[C@@H](c3ccco3)C2)cc1 115090000 DLBFAEHKBMHTBS-OAQYLSRUSA-N 434.452 4.295 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](C)Sc1ccc(Br)cc1 195711776 YUDHRVQRLLNJMI-NSHDSACASA-N 425.304 4.163 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCC(Oc2ccccc2Cl)CC1 301836042 WXRUIXGOFCZXJB-UHFFFAOYSA-N 446.859 4.292 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 302686779 YJZHYQDENADAKX-UHFFFAOYSA-N 443.456 4.002 5 20 IIBD C[C@H](Oc1ccccc1Br)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 303455536 MCNCUFFUSBDZSS-VIFPVBQESA-N 431.189 4.365 5 20 IIBD O=[N+]([O-])c1cccc(COc2c(Br)cc(CCO)cc2Br)c1 429325225 HIHDHIXOFFBYMN-UHFFFAOYSA-N 431.080 4.234 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(SCc3cccs3)s2)cc1C 431322037 VBYSLLVNPCGDQX-UHFFFAOYSA-N 442.569 4.218 5 20 IIBD C[C@H](c1ccccc1)[C@@H](NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C(N)=O 433169918 ZBCSWWYLSDZUFT-QVKFZJNVSA-N 434.452 4.166 5 20 IIBD CCc1c(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnn1Cc1ccc(F)cc1 433961246 SKWQSCMJXURXMC-UHFFFAOYSA-N 437.353 4.207 5 20 IIBD CCc1ccc(C(C)(C)NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 434244260 RGARXSMEBZQLED-UHFFFAOYSA-N 425.514 4.102 5 20 IIBD CC(C)[C@@H](O)CNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 434380006 NYMAEGUDHPVDRI-SKTWIKFTSA-N 425.510 4.268 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)c1cccnc1 435496466 KVBZHANOXYVSFJ-LBPRGKRZSA-N 428.495 4.018 5 20 IIBD CCSCC[C@@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435834391 IPHDJWGXTXPAOE-GFCCVEGCSA-N 439.584 4.394 5 20 IIBD Cc1cc(C)c(NC(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1Br 437045161 NRLJIPNNKQEBMI-UHFFFAOYSA-N 446.301 4.104 5 20 IIBD CCOc1cc(NC(=O)N(C)[C@@H](C)Cc2ccccc2OC)c([N+](=O)[O-])cc1OCC 437609116 ZDRJTKSUSFOVRV-HNNXBMFYSA-N 431.489 4.496 5 20 IIBD C[C@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@@H](c2ccccc2)CO1 437716256 GTMWFWGREICSTJ-MEDUHNTESA-N 431.297 4.052 5 20 IIBD C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437985761 MQKBBSBXNSQANF-OALUTQOASA-N 436.556 4.425 5 20 IIBD CC(C)c1ccc(C(=O)Nc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1[N+](=O)[O-] 438969854 FLTQVUFYBNYIMP-HZPDHXFCSA-N 425.485 4.220 5 20 IIBD CN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 441829118 VZBLDZLAABRNGE-ZWKOTPCHSA-N 435.402 4.347 5 20 IIBD C[C@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1nc(C(C)(C)C)no1 444121186 KFZZVCHHLHZTNK-JTQLQIEISA-N 426.423 4.131 5 20 IIBD Cc1ccc(C(=O)N[C@H](CC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c2ccccc2)cc1 446431210 KPSLNCZEJDKYFV-XMMPIXPASA-N 443.503 4.349 5 20 IIBD O=C(NC1(c2cccc(OC(F)(F)F)c2)CCOCC1)c1c[nH]c2cccc([N+](=O)[O-])c12 446492088 FPHPSQCQXGERMM-UHFFFAOYSA-N 449.385 4.410 5 20 IIBD O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 447076023 GCPLBXPLYNVIIC-HKBQPEDESA-N 435.505 4.493 5 20 IIBD Cc1cccc(NC(=O)CN(C)c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])c1C 447669574 GSDWWXKCGZFMCN-UHFFFAOYSA-N 432.349 4.336 5 20 IIBD CSC1(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CCN(C)CC1 460974413 UUROWRJIZRBCFV-UHFFFAOYSA-N 437.631 4.434 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)N2CC3(CCC3)[C@H]2C2CC2)cc1[N+](=O)[O-] 460981389 VLMNLUQRJDDTSX-HSZRJFAPSA-N 433.508 4.297 5 20 IIBD CC(=O)c1cc(F)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c(F)c1F 461081513 AACUARMLPBEHPL-UHFFFAOYSA-N 431.164 4.158 5 20 IIBD Cc1ccc(C[C@H]2CCCN2c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCOC2)cc1 461566233 BMCOHUZTKNGGFU-IFMALSPDSA-N 447.539 4.410 5 20 IIBD Cc1c(Br)cc(C(=O)NC[C@H]2CCN(c3ccccc3F)C2)cc1[N+](=O)[O-] 462386145 BTHSTKOXRKWPRB-CYBMUJFWSA-N 436.281 4.061 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1 462488791 JBFUTLLCCFEBMD-XMSQKQJNSA-N 445.947 4.007 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1(c2cncc(Br)c2)CC1 463052103 DAJHDYDVFATABJ-UHFFFAOYSA-N 430.180 4.441 5 20 IIBD CCOC(=O)c1c(-c2ccco2)csc1NC(=O)COc1c(F)cccc1[N+](=O)[O-] 463575017 QRWUFALLQQPKPY-UHFFFAOYSA-N 434.401 4.250 5 20 IIBD Cc1ccc(C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)c2ccccn2)cc1 464409874 VVQMVWCYHPSCCT-HXUWFJFHSA-N 448.504 4.109 5 20 IIBD O=C(N[C@H]1c2ccccc2CC12CCOCC2)c1ccc(Br)cc1[N+](=O)[O-] 464707621 GUTSSVKHGDMPJL-SFHVURJKSA-N 431.286 4.181 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3ccccc3O[C@@H]3CCOC3)cc2[N+](=O)[O-])CC1 470777487 WRMMWBYMNJNDKD-GOSISDBHSA-N 425.485 4.251 5 20 IIBD CC(=O)Nc1cc(C(=O)Nc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)cc(C(F)(F)F)c1 471148800 PYSDXFMMDKYLSV-UHFFFAOYSA-N 447.373 4.318 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 472208072 QNILLXCHGPVUOE-UHFFFAOYSA-N 446.438 4.257 5 20 IIBD COCCOc1cccc(CCC(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)c1 475806997 LEGLFRXKGYKANR-UHFFFAOYSA-N 441.509 4.339 5 20 IIBD C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(Br)cn1 477786311 UNTKNTBOUWOEOP-MRVPVSSYSA-N 429.068 4.006 5 20 IIBD COC(=O)c1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1OC 478060985 OZZKWUORRJFJQT-UHFFFAOYSA-N 436.420 4.221 5 20 IIBD C[C@H](C(=O)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1F 478439099 VHBLHUUYYTWEOW-FVMDXXJSSA-N 434.773 4.359 5 20 IIBD COc1ccc(C2=NN(C(=O)CNc3cc(F)cc([N+](=O)[O-])c3)[C@H](c3ccco3)C2)cc1 480171454 TXGRALGMYRXSNG-FQEVSTJZSA-N 438.415 4.125 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1nc2ccccc2n1CCc1ccccn1 480389529 YRVYTAQEFRMTHE-UHFFFAOYSA-N 430.468 4.023 5 20 IIBD CCOc1cc(N2CCN([C@@H](C)c3nc(-c4ccccc4C)no3)CC2)ccc1[N+](=O)[O-] 481759010 FFNGLIZPFFASEB-KRWDZBQOSA-N 437.500 4.235 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCOc1cccc2ccccc12 483243381 SXADDZLEHIPNDW-UHFFFAOYSA-N 426.494 4.295 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CSc1nnc([C@@H](C)N(C)C)n1-c1ccc(F)cc1 485363778 QQXUQMWZPLFXSQ-CYBMUJFWSA-N 431.493 4.238 5 20 IIBD CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 486710211 ARBSODBSOIOTIB-UHFFFAOYSA-N 447.539 4.293 5 20 IIBD Cn1ccnc1[C@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 488200426 ORTJBADIFYWGGA-GOSISDBHSA-N 427.892 4.306 5 20 IIBD COCCN(C(=O)c1ccc(-n2cccn2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 490719844 NFTVTRGQENJNKH-UHFFFAOYSA-N 449.492 4.197 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 490948385 IIDZZEBPTPJSAO-SFHVURJKSA-N 437.456 4.090 5 20 IIBD COC(=O)[C@]1(C)CCCN1C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 494137428 QVOLOEFHJBQYIN-NRFANRHFSA-N 431.876 4.028 5 20 IIBD CCC[C@@]1(C(F)(F)F)CCCN1C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 494699683 RGHUYSZLEWTNAP-SFHVURJKSA-N 429.395 4.007 5 20 IIBD O=C(c1csc([N+](=O)[O-])c1)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1 497926245 ALVJOBJRNCNMIJ-UHFFFAOYSA-N 441.484 4.337 5 20 IIBD CC[C@H](C)Sc1ccc(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(C)c1 498442816 SVYAQDVVOMQTNP-ZDUSSCGKSA-N 427.482 4.029 5 20 IIBD C[C@H]1CN(CCCNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@@H](C)O1 500284113 SNTVYUQYWXJWJG-IYBDPMFKSA-N 447.919 4.270 5 20 IIBD COCC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1)c1ccco1 505019417 UHYCUHCAHDWNBR-IBGZPJMESA-N 426.425 4.496 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)c1 505834386 WXZXDYYLQCVSMU-UHFFFAOYSA-N 442.541 4.384 5 20 IIBD CCN(C(=O)c1cc([N+](=O)[O-])cc(I)c1C)c1ccc(OC)cc1 509148599 BEPMQHNNFRYAPY-UHFFFAOYSA-N 440.237 4.183 5 20 IIBD COc1cc(CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)ccc1OC1CCCC1 510822919 YCGHTUABKVACOT-UHFFFAOYSA-N 427.501 4.309 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)Cc2c(C)nn(-c3ccccc3C)c2C)cc1C 511924081 CDSOOZQHZBQRRY-UHFFFAOYSA-N 442.541 4.143 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(N[C@H](C[C@@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])c1 513099550 XGJQBFSCMSAIGE-LAUBAEHRSA-N 447.557 4.205 5 20 IIBD C[C@H](CCOCc1ccccc1)NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 513669717 OLWMFJFIDWQUIM-GOSISDBHSA-N 427.501 4.143 5 20 IIBD CCOc1cccc(CN[C@H](c2cccc([N+](=O)[O-])c2)c2nccn2C)c1OC(F)F 513678914 SJUOLEDVLPTRNX-GOSISDBHSA-N 432.427 4.208 5 20 IIBD COc1ccc(CNC(=O)CSc2nccn2-c2cccc(Cl)c2C)cc1[N+](=O)[O-] 516137470 XDGOGONXRIHGGD-UHFFFAOYSA-N 446.916 4.159 5 20 IIBD O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N(Cc1ccccc1Cl)C1CCCC1 517555448 ZDCWLBNSTAWRKE-UHFFFAOYSA-N 425.876 4.414 5 20 IIBD Cn1c([C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])nc2ccccc21 518643027 AQQCZAWTCMTZTP-MRXNPFEDSA-N 434.905 4.051 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)Nc2cnn(C(C)(C)C)c2)cc1[N+](=O)[O-] 521005831 APHKKGGWMJEQTN-UHFFFAOYSA-N 435.484 4.096 5 20 IIBD COc1ccc([C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2Cl)cc1 523519653 VSBAMYHLVISSDA-HXUWFJFHSA-N 432.885 4.325 5 20 IIBD Cn1cc([N+](=O)[O-])cc1C(=O)N(Cc1ccccn1)Cc1ccc(Br)cc1F 523694065 QRJXQAPCVVVOQE-UHFFFAOYSA-N 447.264 4.073 5 20 IIBD CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 530801489 NVRIQCUSKSXSLA-MRXNPFEDSA-N 428.489 4.081 5 20 IIBD CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)NCCc1cccc([N+](=O)[O-])c1 533957777 FQHSMSJTAOATGE-UHFFFAOYSA-N 439.299 4.114 5 20 IIBD COC(=O)[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)c(F)c1 534050222 FLFFPZSWLXWWEU-CQSZACIVSA-N 434.729 4.050 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC1(c2ccc(F)cc2F)CCCC1 534107391 DJSZPFNBERSAOV-UHFFFAOYSA-N 445.422 4.147 5 20 IIBD CN1CC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 534958849 IZPPJHIRLLDSOA-VLIAUNLRSA-N 440.302 4.392 5 20 IIBD C[C@H](NC(=O)C[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1Cl 535507481 MCGYXDSRDHBDHW-GNDSEDMPSA-N 447.900 4.029 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 537134569 RZRRJHXADCWXQE-UHFFFAOYSA-N 447.944 4.347 5 20 IIBD COc1ccc(CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]2CCCC[C@@H]2C)cc1OC 537854068 ORDJAPQEIDZGBF-JXFKEZNVSA-N 441.528 4.292 5 20 IIBD CCC[C@H](NC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1)c1cccc([N+](=O)[O-])c1 539072517 KNJPRZAUZJAHRG-NRFANRHFSA-N 441.528 4.348 5 20 IIBD Cc1cc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)nn1-c1ccccc1Cl 539547815 HKEUOGCHYXPGTP-UHFFFAOYSA-N 428.832 4.156 5 20 IIBD O=C(N[C@H](CO)c1c(F)cccc1F)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 539973387 AXSWIYIFSNPPSQ-LJQANCHMSA-N 430.432 4.488 5 20 IIBD CNC(=O)Cn1ccc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)cc21 540451497 DEVLEZRMFLXDBI-UHFFFAOYSA-N 426.498 4.048 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(-c3nc(C4CC4)no3)cc2C)cc([N+](=O)[O-])c1 543244131 VYCCYHXOEWSTCG-UHFFFAOYSA-N 436.424 4.260 5 20 IIBD CNC(=O)c1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)c1 543472761 JMKHILVJGDQCPI-UHFFFAOYSA-N 427.526 4.167 5 20 IIBD COc1cc(Br)ccc1CCCNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F 543508292 LQLJZKZWEOPOHU-GFCCVEGCSA-N 439.281 4.358 5 20 IIBD COc1cccc([C@H]2C[C@@H](C)CN2CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1 544118605 YWYAIJYSBAZNKJ-BFUOFWGJSA-N 448.317 4.388 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 545251100 WHRYBKGIHWVUSB-UHFFFAOYSA-N 442.497 4.052 5 20 IIBD Cc1ccc(S(=O)(=O)Cc2noc(-c3csc(-c4ccc([N+](=O)[O-])cc4)n3)n2)cc1 546238457 ZMVZMQQNUWMQRW-UHFFFAOYSA-N 442.478 4.051 5 20 IIBD COc1cc(Br)ccc1-c1noc(-c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)n1 546486792 ZAAANHLDYJAYQJ-UHFFFAOYSA-N 442.229 4.269 5 20 IIBD CC(C)(C(=O)NCc1ccc(NC(=O)c2ccco2)cc1)c1ccc([N+](=O)[O-])cc1F 547240784 MMOZGSYANQJFHE-UHFFFAOYSA-N 425.416 4.173 5 20 IIBD Cc1c(Br)cc(C(=O)N(C)CCc2nc(-c3ccccc3)no2)cc1[N+](=O)[O-] 552302558 DDEFBVNJOIGHKV-UHFFFAOYSA-N 445.273 4.030 5 20 IIBD CC(C)(NC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O)c1ccccc1[N+](=O)[O-] 553714291 LVMDAVMLZOBJDN-UHFFFAOYSA-N 445.475 4.176 5 20 IIBD Cc1ccc(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1OCC1CCOCC1 554881952 OPTMPRAQQQELRC-UHFFFAOYSA-N 427.501 4.415 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(Oc2ccc(F)cc2F)CC1 555530688 LXLLAPWKHNVMND-GFCCVEGCSA-N 439.846 4.397 5 20 IIBD C[C@H](C(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1)c1cccc([N+](=O)[O-])c1 555737589 SHJKYPJGBYXHLA-ZDUSSCGKSA-N 433.867 4.368 5 20 IIBD Cc1ccc2c(c1)[C@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)CCC2 556436479 ZXFHRXOLWYEMCJ-MRXNPFEDSA-N 446.301 4.106 5 20 IIBD CC(=O)c1cc(NCc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)ccc1[N+](=O)[O-] 557627522 XHHHEBOIJSWJBL-UHFFFAOYSA-N 443.456 4.349 5 20 IIBD Cc1ccc2nc(COc3cccc(C(=O)N(C)CCc4ccccc4[N+](=O)[O-])c3)cn2c1 560722990 OZBUKLMRIWAZRN-UHFFFAOYSA-N 444.491 4.445 5 20 IIBD CC(C)[C@H](NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)c1nncn1C 561048573 PEQLTOYXTFRTJH-IBGZPJMESA-N 442.907 4.116 5 20 IIBD Cc1cc(=O)c(C(=O)N[C@@H](C)c2ccc(F)c3ccccc23)nn1-c1ccccc1[N+](=O)[O-] 565447603 LNZPMHQJCLCBRC-HNNXBMFYSA-N 446.438 4.232 5 20 IIBD NC(=O)c1ccnc(NCc2ccc(Br)cc2Oc2ccccc2)c1[N+](=O)[O-] 569045943 IBKBSLLYXKKUPU-UHFFFAOYSA-N 443.257 4.256 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)C(c1ccccc1)c1ccccc1 570892775 VOLZDQKEAVTFTN-QGZVFWFLSA-N 431.492 4.433 5 20 IIBD COc1cc(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c([N+](=O)[O-])cc1OCC(F)(F)F 571218462 NVRGFPJZKULJKD-QAPCUYQASA-N 430.423 4.078 5 20 IIBD Cc1nc(SCC(=O)N(C)CCc2ccccc2[N+](=O)[O-])c2c(C)c(C)sc2n1 572310875 YCPXYTIZGIOEIY-UHFFFAOYSA-N 430.555 4.318 5 20 IIBD C[C@@H](CN[C@H](c1ccc([N+](=O)[O-])cc1)c1nccn1C)Oc1ccccc1Br 572980781 OEEXFUDFRNOJSE-IFXJQAMLSA-N 445.317 4.237 5 20 IIBD Cc1ccc(OCc2ccccc2)c(NC(=O)C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c1 577127446 VLKDLDLJRZBJLH-UHFFFAOYSA-N 447.491 4.122 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2nnn(Cc3ccc(C(F)(F)F)cc3)c2C)c1 582193426 GBMCOMNHHSQKOI-UHFFFAOYSA-N 449.389 4.213 5 20 IIBD C[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(Br)cc1F 582928197 HLOLOHZCYLIWJZ-LLVKDONJSA-N 433.237 4.173 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)cc1SC 584819094 ASWGJWFJSDKORR-UHFFFAOYSA-N 434.424 4.256 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 586866267 VSNYGVSVFVIFMW-UHFFFAOYSA-N 427.464 4.157 5 20 IIBD Cc1c(C(=O)Nc2cccc(NS(=O)(=O)Cc3ccccc3)c2)cccc1[N+](=O)[O-] 590048346 NRENJODAGJAZOX-UHFFFAOYSA-N 425.466 4.097 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc4c(c3)OCCCO4)cc2[N+](=O)[O-])C1 602094489 ZCYVHJNYKMTLFK-HZPDHXFCSA-N 425.485 4.491 5 20 IIBD CC[C@H](c1ccccc1)N(CC)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 603528609 NVHXZIXAYPPWJK-QGZVFWFLSA-N 425.514 4.488 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1cnc(OC(C)C)c(Cl)c1)c1ccccc1[N+](=O)[O-] 603933282 ZRDUWGZTEZGJDV-QGZVFWFLSA-N 449.891 4.243 5 20 IIBD C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1)c1cccc([N+](=O)[O-])c1 603966360 MREXABNUJDXCOC-YLJYHZDGSA-N 431.492 4.478 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 604152742 CWOSCKVZRHZSNZ-AWEZNQCLSA-N 426.860 4.074 5 20 IIBD O=C(c1cc(NC[C@H]2CCN(c3ccc(Cl)cc3)C2)ccc1[N+](=O)[O-])N1CCCC1 604466950 KOFCCFOHDQJKNX-MRXNPFEDSA-N 428.920 4.423 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN[C@@H]2CCCc3c2cnn3CCO)cc1 608782032 ITVVZHYBYUBHMB-LJQANCHMSA-N 442.903 4.397 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@@H]2CCSc3c(F)cccc32)ccc1[N+](=O)[O-] 608803098 GWXRSPIKXVZQPE-MJGOQNOKSA-N 443.500 4.000 5 20 IIBD O=C(Nc1ccc(F)cc1)[C@@H]1CCc2ccccc2N1C(=O)Cc1ccccc1[N+](=O)[O-] 608871946 HLBVTFBAPGKKIS-QFIPXVFZSA-N 433.439 4.263 5 20 IIBD COc1nc(C)cc(C)c1CNc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 608975172 UXFQFUVWBREJKP-UHFFFAOYSA-N 442.497 4.028 5 20 IIBD O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 609318269 NQHBUYTWCRSRIC-UHFFFAOYSA-N 435.362 4.109 5 20 IIBD O=C1[C@@H](Sc2nnc(-c3ccco3)n2-c2ccccc2)CCN1c1cccc([N+](=O)[O-])c1 609450099 WSPZNNMUNJRTKX-IBGZPJMESA-N 447.476 4.333 5 20 IIBD COC(=O)[C@H](c1ccccc1)N(C)C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 609861548 DKMBYOLPLLXCGB-ZHRRBRCNSA-N 448.479 4.149 5 20 IIBD Cn1ccnc1[C@H](NCCc1cccc(OCC(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 619434388 KVKNFDMHWMCDPR-LJQANCHMSA-N 434.418 4.191 5 20 IIBD Cc1cc[n+](/C(C(=S)NCCc2cccs2)=C(/O)c2cccc([N+](=O)[O-])c2)cc1 727812136 GRDCADHJMLVNBB-UHFFFAOYSA-O 426.543 4.296 5 20 IIBD O=C(Cc1coc(-c2ccc(Cl)cc2)n1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 729780447 HAEFTWVKPITMHD-UHFFFAOYSA-N 430.800 4.056 5 20 IIBD O=C(OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1ccnc(Oc2ccccc2)c1 730705468 ZAUXLHRHJRHHHS-GOSISDBHSA-N 447.447 4.244 5 20 IIBD COc1ccc(/C=C2/N=C(c3c(Cl)cccc3[N+](=O)[O-])OC2=O)cc1Br 730957731 IWCSZCIPMNOQIH-XYOKQWHBSA-N 437.633 4.364 5 20 IIBD Cn1cc(CNCCc2ccc(Br)cc2F)c(-c2ccc([N+](=O)[O-])cc2)n1 731041220 WDSIGRXCLFCJSD-UHFFFAOYSA-N 433.281 4.229 5 20 IIBD CC(C)(Oc1cccc(Cl)c1)C(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 733013411 PBTPKDPNXCDEQN-UHFFFAOYSA-N 427.240 4.241 5 20 IIBD COc1cc(C(=O)OCCc2ccc(C)cc2)c([N+](=O)[O-])cc1OCc1cscn1 735398263 SKZFGIABBAYXAB-UHFFFAOYSA-N 428.466 4.347 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(CS(=O)(=O)Cc2nc(-c3ccc(Cl)cc3)no2)c1 735561753 CZKWEKJWYFRDHC-UHFFFAOYSA-N 428.253 4.067 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 736007739 WZVUOHWQKNFLRC-UHFFFAOYSA-N 440.174 4.387 5 20 IIBD CC(=O)Nc1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2Cc2ccccc2)ccc1F 736625035 FIAQCUWZSPCIBM-UHFFFAOYSA-N 444.440 4.051 5 20 IIBD O=C(OCc1cc(=O)c(O)co1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 736769066 OHCDTDQJUJMKBE-UHFFFAOYSA-N 433.825 4.415 5 20 IIBD CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 744118015 WHBMLODJMGSPEE-IKVWTGGYSA-N 432.517 4.117 5 20 IIBD CCOc1cc(N2CCC(OC(=O)COc3ccc(C)c(C)c3)CC2)ccc1[N+](=O)[O-] 744202241 ZPYSWXLKFMWDMS-UHFFFAOYSA-N 428.485 4.201 5 20 IIBD CN(C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 744670356 KBZOAPSMHBAEQD-GOSISDBHSA-N 440.500 4.420 5 20 IIBD Cc1ccc(Br)cc1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 745252720 FCXCRQCLZJQBQD-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD Cc1ccccc1-c1noc([C@@H](C)OC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)n1 746073956 WLZOZCVLGUTQPE-CYBMUJFWSA-N 426.385 4.396 5 20 IIBD O=C(c1cccc(C(F)(F)F)c1)N1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 746657445 HTSQHYSIULIYSI-UHFFFAOYSA-N 427.810 4.225 5 20 IIBD O=C(NCCCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 746814845 WBINXNUFRIHIBN-UHFFFAOYSA-N 430.675 4.243 5 20 IIBD Cc1nn(C)c(C)c1[C@@H](OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(F)(F)F 746937102 MGZCFKQBCHJFBA-CYBMUJFWSA-N 425.285 4.424 5 20 IIBD CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] 750152624 IFFHMKXZJGTBPV-UHFFFAOYSA-N 449.891 4.135 5 20 IIBD COc1cc(Cl)c(Cl)cc1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 750436567 DNNVVSOKFUIVET-UHFFFAOYSA-N 433.631 4.359 5 20 IIBD COc1ccc(NC(=O)c2ccc(NC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])cc2)cc1 750564343 LFZUIHJUINGLQV-UHFFFAOYSA-N 427.363 4.386 5 20 IIBD C[C@@H](OC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ncc(-c2ccc(Cl)cc2)o1 751645661 FQYUUXACVKAKAB-GFCCVEGCSA-N 439.815 4.402 5 20 IIBD COc1c([N+](=O)[O-])cc(NC[C@@H](C)c2c(C)noc2C)c([N+](=O)[O-])c1Br 751941617 VQPWSHUFGHGOMI-SSDOTTSWSA-N 429.227 4.095 5 20 IIBD Cc1ccc(-c2nc([C@H](CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)no2)cc1[N+](=O)[O-] 752862811 FUKZCJHDDFQSQY-AWEZNQCLSA-N 448.476 4.251 5 20 IIBD Cc1c(Br)cc(C(=O)Oc2cccc(Oc3ncccn3)c2)cc1[N+](=O)[O-] 753129698 WKGZLEYOUSGKSE-UHFFFAOYSA-N 430.214 4.467 5 20 IIBD C[C@@H](CSc1ccc(F)cc1)C(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 756254358 FIVLQVOLAOFPOO-HNNXBMFYSA-N 433.505 4.317 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)Nc1ccc(C(=O)NCc2ccccc2)cc1 757205957 GRGCQRPKTQGMNA-UHFFFAOYSA-N 438.871 4.500 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])O[C@H]([C@H]1CCCO1)C(F)(F)F 758003508 DELKFZCKOLOREI-ZWNOBZJWSA-N 433.326 4.359 5 20 IIBD COc1ccc(-c2cncc(C(=O)OCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c2)cc1 758098473 BKQVYWAPXBUDQM-UHFFFAOYSA-N 441.827 4.114 5 20 IIBD COc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2Br)c(C(F)(F)F)c1 758235756 UNDRIAPJAHKVTE-UHFFFAOYSA-N 433.180 4.315 5 20 IIBD COc1ccc(-c2nc(C(=O)O[C@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)cs2)cc1 759954280 WMHLQTNGUYTYAJ-IRXDYDNUSA-N 428.470 4.264 5 20 IIBD CCOc1ccc([C@H]2CCCN2C(=O)COC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cc1 763719013 FMMIMPXGRWMPMR-GOSISDBHSA-N 432.860 4.167 5 20 IIBD Cc1sc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c(C(N)=O)c1-c1ccccc1 764184680 AEMVJNGXQJDPRI-UHFFFAOYSA-N 447.476 4.169 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cnn(-c3ccccc3)c1Br)CC2 765091138 JAYZKSVFDNBWCW-UHFFFAOYSA-N 427.258 4.054 5 20 IIBD Cc1noc(C)c1CCC(=O)O[C@H](c1ccc(Br)cc1)C(C)(C)[N+](=O)[O-] 774375887 VNLQSDOGSMOAKK-QGZVFWFLSA-N 425.279 4.326 5 20 IIBD CC[C@@H]1Oc2cc([C@H](C)N[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)ccc2NC1=O 775464630 UCOGAZIYKPMXNV-IUUKEHGRSA-N 446.891 4.036 5 20 IIBD Nc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 778145008 GPUHHNMQGZUPJG-OAHLLOKOSA-N 438.267 4.004 5 20 IIBD CCN(C(=O)COC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C1CCCCC1 781256304 ARDDINOSVDFGMS-UHFFFAOYSA-N 442.462 4.298 5 20 IIBD CSc1cccc(C(=O)NCc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)c1[N+](=O)[O-] 781590795 LXORUHAGKXEUSD-UHFFFAOYSA-N 443.525 4.497 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(COC(=O)c2nnc(O)c3ccccc23)cc1OC 781657257 AKLGAYJFUAMJPT-ZDUSSCGKSA-N 441.440 4.034 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1nc(-c2ccccc2)cs1 783317980 MDQNNEFKIOEPQU-LLVKDONJSA-N 430.873 4.188 5 20 IIBD COc1ccc(-c2csc(CNC(=O)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2)cc1 783331576 KXTRWABKGPSBJH-UHFFFAOYSA-N 445.884 4.240 5 20 IIBD CCS(=O)(=O)c1ccc2oc(COC(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)nc2c1 784258649 VOFWWOIKOCIOPQ-UHFFFAOYSA-N 432.454 4.010 5 20 IIBD CC(C)[C@@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCc2sccc2C1 785955987 YTSVCUOTPNYVFQ-LJQANCHMSA-N 436.917 4.005 5 20 IIBD CC(C)(NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C1CCOCC1 786324558 DQBIFFHSGVTRJT-UHFFFAOYSA-N 448.523 4.311 5 20 IIBD COc1ccc(CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C(C)(C)C)c(OC)c1 788466660 QNOYGEQPSPTPPD-UHFFFAOYSA-N 431.445 4.270 5 20 IIBD Cc1c(Br)cc(N)cc1C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 792399060 BOSJALVAAOKOFY-JTQLQIEISA-N 447.245 4.216 5 20 IIBD CCC[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@@H](O)c1ccccc1 792581395 LNNWQGOZCPPVHN-PBHICJAKSA-N 425.254 4.129 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 794111827 QHDMBGGBAUEGPP-UHFFFAOYSA-N 430.289 4.203 5 20 IIBD COc1ccc(-n2c(C)nn(CN(Cc3ccc([N+](=O)[O-])cc3)C(C)C)c2=S)cc1 794622927 IBWXQYXNCOCHDJ-UHFFFAOYSA-N 427.530 4.497 5 20 IIBD COC(=O)Nc1cccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1C 798029171 NVTZHCZGUTUGOZ-UHFFFAOYSA-N 428.445 4.157 5 20 IIBD CSc1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc1 800782644 QDIPFTMNUZHRHV-UHFFFAOYSA-N 443.525 4.349 5 20 IIBD O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H](F)c1ccc(C(F)(F)F)cc1 801895188 KYQYWAZGWNFKQT-MRXNPFEDSA-N 442.321 4.166 5 20 IIBD O=C(NC1CCCCC1)OC[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 804874842 ZDOBNQMQBXLWCF-MRXNPFEDSA-N 443.422 4.277 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([C@H](O)c2ccc(OC)cc2)CC1 812630492 AZQQEWSKABCROU-WZONZLPQSA-N 426.513 4.144 5 20 IIBD COc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1-n1nnnc1C1CC1 813045735 CBFUFJJLJSWBMD-UHFFFAOYSA-N 449.254 4.016 5 20 IIBD O=C(c1cc([N+](=O)[O-])c2nsnc2c1)N1CC[C@H](Cc2ccc(Br)cc2)C1 817768307 KBMJHNBRULIYOE-GFCCVEGCSA-N 447.314 4.067 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)CSc1ccc2c3c(cccc13)CC2 846242409 QONWUDNMLMTGFU-UHFFFAOYSA-N 436.489 4.429 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N(C)[C@H](C)C(C)(C)C)cc1 914431566 KMUWRUIQCOOQKR-OAHLLOKOSA-N 434.514 4.178 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccc(OC2CCCC2)cc1 914952222 IJNDJBIHHFTWRC-AWEZNQCLSA-N 428.441 4.109 5 20 IIBD O=C(Cc1csc(NC(=O)c2ccccc2F)n1)Nc1ccc(Cl)c([N+](=O)[O-])c1 915829473 RQFCDFFLCWORCO-UHFFFAOYSA-N 434.836 4.277 5 20 IIBD CN(C(=O)CCSc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 916990728 QIQYOGWYUBZWEP-UHFFFAOYSA-N 449.337 4.231 5 20 IIBD CCN([C@H](C)c1cccc(OC)c1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 917894259 VAZAFQKTKXUBLZ-GFCCVEGCSA-N 443.319 4.138 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)C2CC2)cc1Br 917916519 NLDUJTISUFBCBT-UHFFFAOYSA-N 445.722 4.364 5 20 IIBD COc1ccc(NC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)cc1NC(=O)OC(C)(C)C 918031583 IMCMXXBHCFRTNQ-UHFFFAOYSA-N 446.460 4.281 5 20 IIBD CCc1ccc(C(=O)Nc2sccc2C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)cc1 918676760 QIJOAXZSLPEHTM-UHFFFAOYSA-N 439.493 4.410 5 20 IIBD CC(C)NC(=O)c1ccc(NCc2ccccc2CNC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 1115938504 JEIAYWGBPFCQBR-UHFFFAOYSA-N 442.516 4.370 5 20 IIBD CC(C)(C)OC(=O)NCc1cccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 1252815218 BQTULFWUFDGGFH-UHFFFAOYSA-N 426.473 4.210 5 20 IIBD Nc1c(C(=O)N2CC[C@@H](CSc3ccccc3)C2)cc(Br)cc1[N+](=O)[O-] 1321447068 VXFBMURYFBZKTG-GFCCVEGCSA-N 436.331 4.194 5 20 IIBD O=C(c1cc2ccccc2n1CC(F)(F)F)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1339424665 XQZIKANPNIIZGX-UHFFFAOYSA-N 446.429 4.070 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CCC2)ccc1O 1785751284 YLZSGTUFKXVTNP-UHFFFAOYSA-N 435.436 4.263 5 20 IIBD COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)/C=C/C4CC4)CCC3)cc2)c([N+](=O)[O-])c1 1790570739 ILFGMFMJGFELJF-LFYBBSHMSA-N 449.507 4.246 5 20 IIBD C[C@H]1CCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3cccc([N+](=O)[O-])c3)CCC1)C2 1797919926 RIWIGKGQSQGCLO-HBFRDEGOSA-N 439.556 4.091 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@]1(C)CC=CCC1)C2 1800698826 GMIVWAJZKJLGIH-IPPNXFFKSA-N 429.492 4.041 5 20 IIBD Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)c(F)c1 1830466118 FSKXGDHNUUSNIZ-LJQANCHMSA-N 443.475 4.182 5 20 IIBD Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC2)o1 1830612698 IRYYELXGHKSMGM-HXUWFJFHSA-N 443.475 4.182 5 20 IIBD COc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CC3CCC3)CC2)ccc1[N+](=O)[O-] 1832837091 CYOCOOVNVKOSDY-HXUWFJFHSA-N 443.544 4.027 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccc(Cl)s2)o1 12249139 UDZHLINDVDTCFH-UHFFFAOYSA-N 426.863 4.099 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)c1 16196503 SJVXLFXZPIJNTG-QMMMGPOBSA-N 430.269 4.203 5 20 IIBD CCOc1cc(/C=C2\CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)cc(Cl)c1OC 16387075 MGMHHGYKSJJAQG-MDWZMJQESA-N 427.844 4.310 5 20 IIBD Cc1nc(COc2ccccc2C(=O)OCC(=O)Nc2c(C)cccc2[N+](=O)[O-])cs1 19485387 IYEOJTOBSFVAPR-UHFFFAOYSA-N 441.465 4.043 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(Cl)ccc1N1CCN(C)CC1 24049059 HAFONSUSUVQYQP-AWEZNQCLSA-N 434.949 4.119 5 20 IIBD COC(=O)CCCN(C)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 29439633 OMKSAEOLGNTLKS-UHFFFAOYSA-N 436.848 4.074 5 20 IIBD Cc1ccccc1-c1csc(NC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)n1 32561306 PXUIQWXBYDTNKQ-UHFFFAOYSA-N 447.476 4.133 5 20 IIBD Cc1cccn2cc(-c3ccc(NC(=O)c4cc5c(cc4[N+](=O)[O-])OCCO5)cc3)nc12 58382874 FLUBLZATTRIUTK-UHFFFAOYSA-N 430.420 4.241 5 20 IIBD COc1ccc(NC(=O)CNc2cc(NC(=O)c3ccccc3)ccc2C)c([N+](=O)[O-])c1 59801745 BBCXURXBXKLVFO-UHFFFAOYSA-N 434.452 4.215 5 20 IIBD O=C(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)NCCC(c1ccccc1)c1ccccc1 72086031 GXLCYRUIOJGCCI-UHFFFAOYSA-N 441.491 4.192 5 20 IIBD C[C@@H](c1cc2ccccc2o1)N(C)C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 105823226 NKLOBNCOTJSPHI-ZFWWWQNUSA-N 425.416 4.053 5 20 IIBD O=C(Nc1cccc(C(=O)N2CCCCC2)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 108233099 XPKCSAHFWWLPJT-UHFFFAOYSA-N 436.512 4.076 5 20 IIBD CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)c1nc2ccc([N+](=O)[O-])cc2s1 111189899 ZVMSIGLPTREABP-ZDUSSCGKSA-N 427.404 4.099 5 20 IIBD COc1ccc(CSCC(=O)NCCc2ccc(Br)s2)cc1[N+](=O)[O-] 116876712 NLRHYAFJGISPFA-UHFFFAOYSA-N 445.360 4.020 5 20 IIBD CC(C)(C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)n1cc([N+](=O)[O-])cn1 216622015 URTIKSRZJVTEAX-UHFFFAOYSA-N 427.848 4.071 5 20 IIBD CC(=O)c1ccc(NCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)c([N+](=O)[O-])c1 301090992 KTCQMPFORAVJMG-UHFFFAOYSA-N 449.486 4.270 5 20 IIBD O=c1c(Cl)c(NC[C@H](c2ccco2)N2CCCCC2)cnn1-c1ccc([N+](=O)[O-])cc1 301151392 DEWDPTZYPLHQNL-GOSISDBHSA-N 443.891 4.026 5 20 IIBD C[C@H](NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)C(c1ccccc1)c1ccccc1 303145334 LOKOFNKYJTZUDT-ZWKOTPCHSA-N 431.492 4.050 5 20 IIBD Cc1nc(-c2cccc(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)c2)oc1C 303412577 ALRDYLYSMSIYOF-MRXNPFEDSA-N 440.481 4.171 5 20 IIBD C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)C1 303436498 GZCKIHXHAFUXPO-HUUCEWRRSA-N 448.479 4.219 5 20 IIBD O=C(NCCSCCOc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1F 303510994 OONFTMOZFACAFC-UHFFFAOYSA-N 443.294 4.038 5 20 IIBD CCCN([C@@H](C)CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 409913916 ZADYEDOUXHJSBX-AWEZNQCLSA-N 439.921 4.066 5 20 IIBD COc1ccc([C@@H](CCC(=O)O)NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 426713889 AIPJJQWNKAYXRH-LJQANCHMSA-N 427.482 4.423 5 20 IIBD O=C(O)[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C12CC3CC(CC(C3)C1)C2 426768076 USFGOTSHIYLYOB-JRUMVTRASA-N 427.526 4.478 5 20 IIBD O=C(Nc1cc(CSCCO)ccn1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 429220617 KLKYCYUQGIXFMT-UHFFFAOYSA-N 439.493 4.047 5 20 IIBD Cc1cc(OCC(=O)NCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)ccc1[N+](=O)[O-] 430822885 LXEODDLDKRWGDB-KRWDZBQOSA-N 437.521 4.327 5 20 IIBD CCN([C@@H](c1cccnc1)c1ccc(F)cc1F)S(=O)(=O)c1cccc([N+](=O)[O-])c1C 431912824 KQDMQRDJMNBUIM-NRFANRHFSA-N 447.463 4.377 5 20 IIBD CCOc1cc(CS(=O)(=O)[C@@H](C)c2nc(-c3ccccc3C)no2)ccc1[N+](=O)[O-] 434638218 SJCWGONBSAMOFF-AWEZNQCLSA-N 431.470 4.028 5 20 IIBD C[C@@H](CO)N(CC1CCC1)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 435851305 MSPKKDMACDCYDK-HNNXBMFYSA-N 431.920 4.483 5 20 IIBD O=C(NCCCN1CCc2ccccc21)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 435927270 BVMKYYIJKQDFBK-UHFFFAOYSA-N 433.458 4.142 5 20 IIBD CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 436324129 JKHHZNCLBZMUTP-UHFFFAOYSA-N 427.504 4.045 5 20 IIBD O=C(CCCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1ccc(Cl)cc1 438001779 JBGCLFAGNNMCGQ-UHFFFAOYSA-N 430.892 4.341 5 20 IIBD COc1ccc(N(C(C)C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1F 439131954 PHPKFQBNIRKUNT-UHFFFAOYSA-N 436.383 4.365 5 20 IIBD COc1ccccc1COc1cccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1C 441847780 HREHNHTXIRXYSK-UHFFFAOYSA-N 449.463 4.376 5 20 IIBD CCSc1cc(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)ccn1 444332414 ZHPWJCWPCAYJQN-UHFFFAOYSA-N 425.460 4.397 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCc2ccc3c(n2)CCCC3)cc1[N+](=O)[O-])c1ccccn1 444551407 RWJGLIUOBWWRSX-INIZCTEOSA-N 431.496 4.367 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccccc1C(=O)N1CCCCC1 445666928 YAUKTCKLMFDDGE-UHFFFAOYSA-N 446.301 4.165 5 20 IIBD Cc1cc(Cl)cc2cc(-c3noc(CNC(=O)NCc4ccc([N+](=O)[O-])cc4)n3)oc12 445830572 WWCXJPDRJHWBMZ-UHFFFAOYSA-N 441.831 4.352 5 20 IIBD Cc1ccc(NC(=O)CCc2cccc([N+](=O)[O-])c2)cc1NS(=O)(=O)c1ccccc1 445851542 GMLJGDCWJXTDEN-UHFFFAOYSA-N 439.493 4.275 5 20 IIBD CC(C)CN1CCC[C@H](CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 448426882 VMZHUCDFSKCOLP-RBUKOAKNSA-N 439.560 4.261 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2 462599918 BYEQFWZSOYALAM-AKCHCHLHSA-N 425.485 4.150 5 20 IIBD Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cc1 464055646 WWOGFMCXNWFATG-PMACEKPBSA-N 446.507 4.166 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1Cc2ccccc2C[C@@H]1c1ccccc1 464213445 MWIBFCYNJVVQTG-GAJHUEQPSA-N 429.476 4.039 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCOc3c(Cl)cc(Br)cc32)c1 464660062 IGDQIFKZXRKRTH-UHFFFAOYSA-N 427.638 4.059 5 20 IIBD CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] 465617984 FHJVCQPJTHWWEN-LJQANCHMSA-N 429.517 4.126 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(I)c(F)cc1F 466500585 UAPSOHRJWLRPPR-UHFFFAOYSA-N 448.163 4.129 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 468931411 HTYBKPSNQDKNQQ-CQSZACIVSA-N 428.493 4.196 5 20 IIBD Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 470072715 MFRSJTCJWVBYLU-PKTZIBPZSA-N 439.512 4.376 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(c2ccc3ccccc3n2)CC1 471198663 GZVRMNYTVAZOOA-INIZCTEOSA-N 430.468 4.076 5 20 IIBD CC[C@@H](c1ccccc1)c1nnc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 471506474 HZVMCLJRZXBMAS-ZDUSSCGKSA-N 438.918 4.442 5 20 IIBD Cc1c(CNC(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)cccc1[N+](=O)[O-] 474683233 WOTMJMFCVASZNA-NTKDMRAZSA-N 447.495 4.217 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 475549084 DBADVZFHNCZAQT-FQEVSTJZSA-N 432.908 4.060 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 475884039 SYTOVLDYOHFLEW-FQEVSTJZSA-N 440.297 4.395 5 20 IIBD CN1CC[C@@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@@H]1c1ccc(Cl)c(F)c1 477006607 XFFILJRDDOQCBN-RBZFPXEDSA-N 430.867 4.291 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@@H](CCO)C2CCCCC2)cc1[N+](=O)[O-])c1ccccn1 477939032 URLLZZSCPLKBMZ-JXFKEZNVSA-N 426.517 4.224 5 20 IIBD COCCN(C(=O)c1ccn(C2CCCC2)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 479074333 ZIKCWBPAMLCREF-UHFFFAOYSA-N 441.513 4.323 5 20 IIBD COc1cc(C(=O)NCc2cccc(Cn3cnc4ccccc43)c2)cc([N+](=O)[O-])c1C 479909815 JFFLWNYCHACYNZ-UHFFFAOYSA-N 430.464 4.240 5 20 IIBD CCCN(C(=O)c1ccccc1NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(C)C 480207392 DCOBGNXKXNTBGW-UHFFFAOYSA-N 433.530 4.273 5 20 IIBD Cc1ccc(C)n1C1CCN(c2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)CC1 480484354 PIVSYBMYPGGBBP-UHFFFAOYSA-N 427.892 4.054 5 20 IIBD Cc1cc(Sc2ncccn2)ccc1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C 481978656 FINWETPIHOJCQK-UHFFFAOYSA-N 430.511 4.262 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(CN2C[C@H](C)O[C@@H](C)C2)cs1 481988960 DTNRJTHTBVNKMD-STQMWFEESA-N 436.559 4.025 5 20 IIBD COc1ccccc1OC[C@H](C)CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 482933590 RTNVALJQTXEPSB-GFCCVEGCSA-N 425.388 4.041 5 20 IIBD COc1c(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2Cl)cccc1[N+](=O)[O-] 483169907 RKXOCVICLUAVHM-UHFFFAOYSA-N 441.875 4.494 5 20 IIBD COc1ccc(-c2ccc(CN[C@H](C)c3nc(-c4cc(C)ccn4)n[nH]3)o2)c([N+](=O)[O-])c1 486792368 DTBPNOOPDVXFTR-CQSZACIVSA-N 434.456 4.203 5 20 IIBD COC(=O)c1cc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(C)cc1C 489059143 HIBMPDDUSSHHFZ-UHFFFAOYSA-N 425.363 4.339 5 20 IIBD COc1cc(NC(=O)CCN(Cc2cccc([N+](=O)[O-])c2)C2CC2)c(OC)cc1Cl 490169564 JIACBERMCYYTGQ-UHFFFAOYSA-N 433.892 4.259 5 20 IIBD COc1cc(CNC2CCC(N3CCC(C)CC3)CC2)c([N+](=O)[O-])cc1OCC(F)F 493604871 WZTHFJBVHSGLFA-UHFFFAOYSA-N 441.519 4.380 5 20 IIBD CCN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@H](c1cccnc1)c1ccc(F)cc1F 496522008 ZDGNNCLIHCVUDB-JOCHJYFZSA-N 427.407 4.285 5 20 IIBD CCc1cc(=N[C@H](c2cccc(F)c2)c2nccn2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 498825592 URVUADBUZVLKDG-OAQYLSRUSA-N 432.459 4.110 5 20 IIBD CC(C)N1CCN(c2cccc(NC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])c2)CC1 502865963 JLQVGZVIAGFPLR-UHFFFAOYSA-N 446.935 4.186 5 20 IIBD O=C(NCc1ccc(COC2CCOCC2)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 506058576 QMPDXQJOFUBGEW-UHFFFAOYSA-N 439.512 4.165 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1 508163206 SHGZBGUZLJKGDE-UHFFFAOYSA-N 441.871 4.358 5 20 IIBD O=[N+]([O-])c1cccc(OC[C@@H](O)CSc2nnc(-c3ccco3)n2C2CCCCC2)c1 508357718 HSRAYCKBKSJLPQ-QGZVFWFLSA-N 444.513 4.484 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCCc2cc(OC(F)F)ccc21 509648921 DANBWIHGGHPKIB-UHFFFAOYSA-N 431.439 4.392 5 20 IIBD CCOc1cc(CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)ccc1OC 510720198 RTFWQAMRTCJPIP-UHFFFAOYSA-N 427.501 4.168 5 20 IIBD CC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)C1 513204159 OXFSBOOOLDBWNR-QGZVFWFLSA-N 437.496 4.049 5 20 IIBD NC(=O)CCCNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2 515217301 ANFYMKSIWIZOSL-ICFOKQHNSA-N 444.491 4.015 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N[C@H]2CCCc3nc(O)ccc32)cc1[N+](=O)[O-])c1ccccn1 516575738 ZORSTNHCZYEJBC-KUHUBIRLSA-N 433.468 4.071 5 20 IIBD C[C@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccncc2)cc1 517045252 YHJPJLWHMDTNER-INIZCTEOSA-N 432.480 4.397 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N(Cc1ccc2c(c1)OCO2)c1ccccc1 520663293 CZQWOAGMNRAITF-UHFFFAOYSA-N 446.868 4.372 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccnn1Cc1ccc(Cl)c(F)c1 520928744 FURIGCKNGIVUEG-UHFFFAOYSA-N 431.855 4.463 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccc(OC2CCCCC2)nc1 522221595 OTGAWUJHDDAKFS-CQSZACIVSA-N 433.892 4.438 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCCc2cc(Br)cc(F)c21 523242354 VWTRGKVDDFLPPQ-UHFFFAOYSA-N 445.248 4.275 5 20 IIBD COC(=O)c1cc(NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)cc([N+](=O)[O-])c1 524569694 VMZSGUAQMORQCU-UHFFFAOYSA-N 437.886 4.401 5 20 IIBD Cn1cnnc1Sc1ccccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 525796893 FVWVWCITOOKKLQ-UHFFFAOYSA-N 441.516 4.073 5 20 IIBD C[C@H](c1ccccc1)N1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 531024715 DPDHEZIMORYZIU-OAHLLOKOSA-N 446.345 4.242 5 20 IIBD Cc1c(CC(=O)N[C@H](Cc2ccc(O)cc2)c2nc3ccccc3[nH]2)cccc1[N+](=O)[O-] 532700166 DTTBNTKFZKWQEA-OAQYLSRUSA-N 430.464 4.128 5 20 IIBD COc1ccccc1OCC(=O)Nc1cccc(NCc2ccc(OC)c([N+](=O)[O-])c2)c1 532730161 QTRVJNLCDPEMQZ-UHFFFAOYSA-N 437.452 4.242 5 20 IIBD O=C(Nc1ccccc1N1CCCC1)c1cc(I)cc([N+](=O)[O-])c1 534287543 MNUCJLMYMMVSQT-UHFFFAOYSA-N 437.237 4.052 5 20 IIBD COc1cc(F)c([C@H](C)NCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1OC 537084984 HBVBZNSQBWZZMY-JTQLQIEISA-N 430.379 4.212 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnn(S(=O)(=O)c3cc(Br)ccc3Cl)c2)c1 537565640 WMKYXRZRHOCZEP-UHFFFAOYSA-N 442.678 4.111 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC=C(c2ccc3c(c2)OCCO3)CC1 537809548 QAYFIOQLCJNMHO-UHFFFAOYSA-N 437.496 4.188 5 20 IIBD CCc1cnccc1[C@H](C)NC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 538013808 HPZJPAWPVSGIMG-LBPRGKRZSA-N 425.411 4.043 5 20 IIBD Cc1ccc([C@H](C)N[C@@H](C)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1[N+](=O)[O-] 538018882 YASKJFPPXVKWJY-IRXDYDNUSA-N 443.525 4.387 5 20 IIBD C[C@H](CC(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc12)c1ccccc1C(F)(F)F 538305195 BKLJLOFFHIROBF-CYBMUJFWSA-N 447.417 4.279 5 20 IIBD Cn1cc(CN2CCC3(CC2)CCN(Cc2ccccc2)C3)c(-c2ccc([N+](=O)[O-])cc2)n1 538763498 HKBUZXXAWWZDNB-UHFFFAOYSA-N 445.567 4.483 5 20 IIBD O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cc2c(cc1[N+](=O)[O-])OCO2 540624125 WBJARNOILOVPLW-AWEZNQCLSA-N 436.264 4.376 5 20 IIBD C[C@H](C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1)c1ccc([N+](=O)[O-])cc1F 542606742 ORRZCWLQULUGAS-KPZWWZAWSA-N 437.265 4.200 5 20 IIBD O=[N+]([O-])c1cccc(/C=C/c2nc(CS(=O)(=O)c3cc(Cl)ccc3Cl)no2)c1 546237270 UZHSMIDEDVPYLG-QPJJXVBHSA-N 440.264 4.429 5 20 IIBD CCOc1cc(Cc2noc(-c3cc(C(=O)OC)cc([N+](=O)[O-])c3)n2)ccc1OC(F)F 546343817 HPTWJJDVLDKOKE-UHFFFAOYSA-N 449.366 4.022 5 20 IIBD COc1cc(Cc2noc([C@H](C)SCC(=O)Nc3ccc(F)cc3)n2)ccc1[N+](=O)[O-] 546466201 FAXGKNXTCBZSBI-LBPRGKRZSA-N 446.460 4.149 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Cn3cncn3)c(F)c2)no1 547068142 UOWMPIAAFUVHAO-GFCCVEGCSA-N 426.433 4.277 5 20 IIBD CC(=O)Nc1ccc(C)cc1OCc1cc(I)cc([N+](=O)[O-])c1 554939679 JJHQVOVALAJCDD-UHFFFAOYSA-N 426.210 4.045 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 555010642 CJMNJQDEWGQXQW-HXUWFJFHSA-N 438.528 4.293 5 20 IIBD Cc1ccc(C(=O)C2CCN(S(=O)(=O)c3c(C)ccc(C)c3[N+](=O)[O-])CC2)c(C)c1 558772083 JRZOXKZORXMBQG-UHFFFAOYSA-N 430.526 4.112 5 20 IIBD CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](c2ccccc2F)C1 559084949 DANJAYXPFKPWMI-FQEVSTJZSA-N 425.464 4.226 5 20 IIBD CS(=O)(=O)c1cccc([C@H](Nc2ncnc3sc([N+](=O)[O-])cc23)c2ccccc2)c1 561205457 CUJKCHJHAMMOQH-GOSISDBHSA-N 440.506 4.205 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)COCc1cccnc1 564047102 FLBHWVDJLUGVIJ-UHFFFAOYSA-N 441.465 4.050 5 20 IIBD Cc1ccc(F)cc1C1(c2noc(-c3nn(-c4ccccc4[N+](=O)[O-])c(C)cc3=O)n2)CC1 564290621 TZYDXFOZHXRMMG-UHFFFAOYSA-N 447.426 4.027 5 20 IIBD Cc1ccc(-c2nc(CCNc3ccc([N+](=O)[O-])c(N4CCOCC4)c3F)co2)cc1 565447118 AYFRUNIABAXHDH-UHFFFAOYSA-N 426.448 4.189 5 20 IIBD CC(C)(C(=O)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1)c1ccc([N+](=O)[O-])cc1 568693491 LLSPANVYBKXUTI-GOSISDBHSA-N 438.402 4.371 5 20 IIBD O=C(Nc1nc(CN2CCCCCC2)cs1)c1cc([N+](=O)[O-])ccc1OC(F)F 572988758 RKGYFDJCTLAVDT-UHFFFAOYSA-N 426.445 4.281 5 20 IIBD Cc1cc(NC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)ccc1C(=O)OC(C)(C)C 574476400 LYWNNLUTBQTIIW-UHFFFAOYSA-N 425.445 4.057 5 20 IIBD CN1CCC(N2CCC(CCN(C)Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)CC2)CC1 578860232 MTTWQYXSCFBBLU-UHFFFAOYSA-N 442.526 4.242 5 20 IIBD CCO[C@@H](c1ccccc1)c1noc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 589150717 GBNGLQSFCLELKB-UXHICEINSA-N 436.468 4.389 5 20 IIBD O=C(Nc1cc(F)cc(F)c1Br)N1CCOc2ccc([N+](=O)[O-])cc2C1 589338057 QXCRKKRCGGJURA-UHFFFAOYSA-N 428.189 4.062 5 20 IIBD Cc1ccc(O)c(C(=O)Nc2nc(CC(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)cs2)c1 590549888 HKVIKZCYDZFBSP-UHFFFAOYSA-N 440.481 4.116 5 20 IIBD CCCCOc1ccc([C@@H](C)NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1OC 603920913 IBMVKWSAUFGDGX-MRXNPFEDSA-N 438.484 4.459 5 20 IIBD COc1cc([C@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1 604041473 AUOMIQSQWJAAKL-INIZCTEOSA-N 442.493 4.222 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCc2ccccc2CN(C)C)cc1[N+](=O)[O-])c1ccccn1 604308523 SBOVHWIIUCCXTL-KRWDZBQOSA-N 433.512 4.155 5 20 IIBD O=C(Nc1ccc(F)cc1)[C@@H]1CCc2ccccc2N1C(=O)COc1ccccc1[N+](=O)[O-] 608872885 SURYAVMZHLPPCJ-NRFANRHFSA-N 449.438 4.099 5 20 IIBD CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 608878794 JQTBPSHHGRTHNN-AWEZNQCLSA-N 437.418 4.169 5 20 IIBD CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 608966110 UJUYQHQZNXVECS-UHFFFAOYSA-N 439.434 4.260 5 20 IIBD COc1cc(CNc2cnn(Cc3ccncc3)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 608982762 UKSQYHCXWMHFJB-UHFFFAOYSA-N 445.479 4.434 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3ccccc3s2)CC1 609470703 IMYKXJUGGBRCOF-UHFFFAOYSA-N 426.498 4.173 5 20 IIBD CC(=O)N(Cc1ccc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(C)C 609726000 WHMVTZCZJAEVAF-UHFFFAOYSA-N 433.892 4.413 5 20 IIBD CSc1ccc(NC(=O)[C@@H](C)SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cc1 609770776 OPPOQVDOHCMXLY-CYBMUJFWSA-N 447.538 4.375 5 20 IIBD COC(=O)c1sccc1NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 609853698 QZZQWTQUKLXGFK-UHFFFAOYSA-N 441.252 4.188 5 20 IIBD CC1CCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 610041682 OTZKGXLPPMHTGT-UHFFFAOYSA-N 446.301 4.482 5 20 IIBD COc1ccc([C@@H]2CCCN2C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])cc1OC 610102300 RDXUMNRLATYMLW-IBGZPJMESA-N 442.516 4.269 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1OCc1nnc(C2CC2)n1C1CC1 612660819 BXPDIZPMOZRFQX-UHFFFAOYSA-N 430.262 4.288 5 20 IIBD CNC(=O)[C@H](CC(C)C)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 613517416 SCULOKZFYMMSCM-INIZCTEOSA-N 435.933 4.290 5 20 IIBD CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)OCc1cc(F)ccc1[N+](=O)[O-] 730487560 WMFPQWHSRPIDCX-CYBMUJFWSA-N 441.502 4.142 5 20 IIBD O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1c(Cl)cc(Br)cc1Cl 731216105 GPSGGEUMAXCPFQ-UHFFFAOYSA-N 427.059 4.432 5 20 IIBD C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-] 734892116 WANVYWNCSNBSEN-SECBINFHSA-N 431.659 4.417 5 20 IIBD O=[N+]([O-])c1ccc(Nc2cccc(CS(=O)(=O)c3ccc(F)cc3F)c2)c([N+](=O)[O-])c1 735301634 KKJQIZTYLPNITH-UHFFFAOYSA-N 449.391 4.499 5 20 IIBD COc1nn(C)c2nc(C)c(CCC(=O)Oc3cc([N+](=O)[O-])c(Cl)cc3C)c(C)c12 735642973 KBGXUSFRUBJBQE-UHFFFAOYSA-N 432.864 4.002 5 20 IIBD Cc1c(C(=O)Nc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 736171789 UWQAVPURSUINKS-RTBURBONSA-N 429.429 4.054 5 20 IIBD O=C(COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)Nc1ccc2c(c1)OC1(CCCCC1)O2 736865047 BUSVCZMUGWMIDQ-UHFFFAOYSA-N 446.843 4.475 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccc([N+](=O)[O-])cc1Br 739578980 RXHAHSURWHKTAW-JTQLQIEISA-N 441.259 4.490 5 20 IIBD O=C(Nc1ccccc1OCC1CC1)c1cc([N+](=O)[O-])ccc1I 740809204 ZILGWZUHNBWVPG-UHFFFAOYSA-N 438.221 4.241 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 746254182 WKRJHILHKGFCMC-GCJKJVERSA-N 427.476 4.062 5 20 IIBD O=C(Nc1cc(Br)ccc1N1CCOCC1)c1cccc(Cl)c1[N+](=O)[O-] 750167126 DVBNTZHZXICGGC-UHFFFAOYSA-N 440.681 4.100 5 20 IIBD C[C@@H](OC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 750504928 UIOZYKXLKCVFGW-KUHUBIRLSA-N 440.431 4.053 5 20 IIBD CCOC(=O)c1sc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])nc1-c1ccccc1 750564008 YASRLPBGVDMLLX-UHFFFAOYSA-N 433.392 4.426 5 20 IIBD O=C(CNC(=O)c1cc([N+](=O)[O-])ccc1Br)Nc1cc(Cl)ccc1Cl 751053519 CMDVGTVTUNIYKJ-UHFFFAOYSA-N 447.072 4.033 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 752108502 ARIUUDVUXVTAEO-DENIHFKCSA-N 449.507 4.417 5 20 IIBD COC(=O)c1cccc(-c2nc(COC(=O)c3c(F)ccc([N+](=O)[O-])c3F)cs2)c1 752568897 VFIVQTQYXCNAAB-UHFFFAOYSA-N 434.376 4.140 5 20 IIBD CO[C@@H](C)c1nc(CN2CCCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cs1 753118683 LEVVUCWCHUKCLJ-ZDUSSCGKSA-N 444.479 4.490 5 20 IIBD Cc1nn(CCC(=O)O[C@H]2CCCOc3cc(Br)ccc32)c(C)c1[N+](=O)[O-] 757990779 KRUMPBHKEFARKL-HNNXBMFYSA-N 438.278 4.018 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2cnc(Cl)c(Br)c2C)cc1[N+](=O)[O-] 759279302 GPOVLHCNGSSOCW-UHFFFAOYSA-N 429.614 4.183 5 20 IIBD Cc1cc(C)c(N2C[C@@H](C(=O)OCc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC2=O)c(C)c1 760497928 ORXLMBIEKXLQPG-SFHVURJKSA-N 449.463 4.271 5 20 IIBD O=C1Nc2ccccc2O[C@@H]1Cc1nc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)no1 761858748 ORKUDHHNQKGJRK-HXUWFJFHSA-N 444.403 4.379 5 20 IIBD CC(C)(C)OC(=O)N1CCc2c(cccc2NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)C1 763479416 ISEOBCCSZVXONS-UHFFFAOYSA-N 433.411 4.419 5 20 IIBD CC(C)(C)c1noc(COc2ccc(OC(=O)c3cc(F)c([N+](=O)[O-])cc3F)cc2)n1 763485585 SOKHCWNANFLKHB-UHFFFAOYSA-N 433.367 4.352 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 764202989 WECHCSHYFQRQQE-OAQYLSRUSA-N 440.887 4.020 5 20 IIBD CN(C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1)C(=O)OC(C)(C)C 765030597 GOENNRSEIZPAST-SFHVURJKSA-N 442.516 4.262 5 20 IIBD COc1cc(COC(=O)c2nccnc2-c2nc3ccccc3s2)c([N+](=O)[O-])cc1F 766177878 KBAMOCDANIEJEK-UHFFFAOYSA-N 440.412 4.166 5 20 IIBD CCC(=O)c1ccc(OC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c(F)c1 766539309 SLJCGJPDIFUAHG-UHFFFAOYSA-N 425.416 4.407 5 20 IIBD CCOC(=O)Nc1ccc(Br)cc1NC(=O)c1cccc(OC)c1[N+](=O)[O-] 766855310 UAMRATXNBNBMBV-UHFFFAOYSA-N 438.234 4.187 5 20 IIBD COc1ccc(OC)c2c1CN(Cc1ccc(-c3ccccc3[N+](=O)[O-])s1)C[C@H]2O 768206069 HJUALJLIGGJNBX-GOSISDBHSA-N 426.494 4.390 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)C 769694239 NNURMRKEZWNZAN-IBGZPJMESA-N 442.903 4.360 5 20 IIBD O=C(COC(=O)c1cc(Br)cc([N+](=O)[O-])c1)Nc1c(Cl)cccc1Cl 770156376 MLFRUJYYOLVBAE-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD O=C(Cc1noc([C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1)Nc1cccc2ccccc12 770987176 OGYXASPBNBGHMI-HXUWFJFHSA-N 443.419 4.178 5 20 IIBD CCc1nn(C)cc1C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 771162636 VSXUVIUWSRIPAH-LJQANCHMSA-N 442.859 4.081 5 20 IIBD COc1cc(OC)c(N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Br 777895898 XOMBGGOCBUOXRS-LLVKDONJSA-N 438.278 4.122 5 20 IIBD CC(C)(C)OC(=O)NCC1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 780530149 NLSPRYLCMVVZHL-UHFFFAOYSA-N 435.524 4.058 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)N(C)C(c1ccccc1)c1ccccc1 781380497 ONACAPWFXHYTFL-UHFFFAOYSA-N 447.491 4.066 5 20 IIBD Cn1nc(C(F)(F)F)c(COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1Cl 782309377 DVGBXXHNQCMFMT-UHFFFAOYSA-N 449.816 4.304 5 20 IIBD CSc1nc2ccc(NC(=O)C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)cc2s1 783293450 HXPQXYDFPCKGGY-UHFFFAOYSA-N 442.522 4.056 5 20 IIBD Cc1cc(CC(=O)O[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)no1 785963036 AFBANSBTRCWNPD-IBGZPJMESA-N 429.816 4.010 5 20 IIBD COc1ccc([C@@H](NC(=O)COc2cc([N+](=O)[O-])ccc2Br)C2CC2)cc1 786743767 IBMRUILLRPFMEQ-IBGZPJMESA-N 435.274 4.012 5 20 IIBD O=C(O[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1)c1csc(-c2ncccc2F)n1 787033457 VEIOEVNSHZDZHK-CYBMUJFWSA-N 446.435 4.217 5 20 IIBD CNc1ccc(C(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)cn1 794846566 IFVGCIPNLHSQEJ-UHFFFAOYSA-N 426.816 4.156 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)OC[C@@H]1CCC[C@H](O)C1 795296120 PEYQPDUXEUFNRF-VGSWGCGISA-N 435.480 4.084 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)N[C@@H](c1ccccc1)c1cccs1 795711395 NHCWBUSBSYKIJR-NRFANRHFSA-N 440.477 4.118 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F 796172048 JRJYMJSHJAZFJJ-UHFFFAOYSA-N 447.419 4.185 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 796390727 MZGOUPQBOFVWSQ-JKSUJKDBSA-N 449.341 4.390 5 20 IIBD C[C@@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)c1ccc(OC(F)F)cc1 798275023 DQZGFHYMFRECAU-CYBMUJFWSA-N 434.395 4.225 5 20 IIBD Cc1ccc(C2=NO[C@H](CNC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])C2)cc1 800668482 DKHPDSGFXOABCS-NRFANRHFSA-N 445.475 4.405 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 803408288 CYGNJVGZJLSVIA-UHFFFAOYSA-N 435.436 4.397 5 20 IIBD Cc1ccc([C@](O)(Cc2noc(C(C)(C)c3ccc([N+](=O)[O-])cc3F)n2)C(F)(F)F)o1 809450911 DUXFSGALESYLGF-GOSISDBHSA-N 443.353 4.337 5 20 IIBD Cc1ccc(Cc2noc(-c3cc([N+](=O)[O-])ccc3I)n2)s1 809535459 JCEZXBYFXUENJW-UHFFFAOYSA-N 427.223 4.210 5 20 IIBD Cc1ccc([C@@H](C)NCc2cc(I)cc([N+](=O)[O-])c2)cc1[N+](=O)[O-] 809972439 IHZOYFMSIPAHEG-LLVKDONJSA-N 441.225 4.267 5 20 IIBD C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810399826 WSXSBUCHCSCCPD-KZULUSFZSA-N 446.301 4.126 5 20 IIBD CCOc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 811374774 OYYZZHIZJKIOCH-SNVBAGLBSA-N 427.240 4.484 5 20 IIBD CCOc1ccc([C@H](O)C2CCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)CC2)cc1 812668726 IRIXJUXCZWAMHL-QFIPXVFZSA-N 430.526 4.058 5 20 IIBD Cc1nc(COc2ccc(C(=O)OCc3cc([N+](=O)[O-])ccc3C(F)(F)F)cc2)no1 815177005 CGPUPPNDJHJDNU-UHFFFAOYSA-N 437.330 4.241 5 20 IIBD C[C@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 827005627 GRWALGYZQLMXMD-HOCLYGCPSA-N 442.566 4.076 5 20 IIBD COc1ccccc1-c1nc(COC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cs1 849194663 AICVDQABIFMTPA-UHFFFAOYSA-N 436.449 4.270 5 20 IIBD COc1cc(CNc2ccc3c(c2)nc(C(F)(F)F)n3[C@@H](C)CO)c([N+](=O)[O-])cc1F 864039703 JGDUNDDUEXUWMB-JTQLQIEISA-N 442.369 4.276 5 20 IIBD C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 914507279 MWUGIPCRVILCEN-CQSZACIVSA-N 437.418 4.283 5 20 IIBD COc1cc2cc(C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)[nH]c2c(OC)c1OC 914781227 PJLYPQMZDPKTBE-UHFFFAOYSA-N 433.848 4.028 5 20 IIBD Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccccc1 915019603 HTZIFUKYJPXVEI-MRXNPFEDSA-N 447.447 4.340 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1nc(NCc2ccco2)ncc1Cl 919869256 VBHCMRLUGAKKQF-UHFFFAOYSA-N 429.864 4.294 5 20 IIBD O=[N+]([O-])c1ccccc1OCc1nnc(Cn2c(SC(F)F)nc3ccccc32)o1 1257768299 CBCDPNXHALIUQC-UHFFFAOYSA-N 433.396 4.270 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1 1318938495 LPOJSMVYBSCUMN-CQSZACIVSA-N 439.501 4.071 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CNCc2ccc3c(c2)CCS3(=O)=O)o1 1319254097 RKSCTMZBMVPZKZ-UHFFFAOYSA-N 432.885 4.128 5 20 IIBD Nc1c(C(=O)N[C@H]2CCSc3ccc(F)cc32)cc(Br)cc1[N+](=O)[O-] 1327145474 IRIWNRULCGWFTN-LBPRGKRZSA-N 426.267 4.046 5 20 IIBD Cc1cc(S(=O)(=O)Nc2cc(F)ccc2NC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] 1339142902 IDOUJAVNQUHAJI-UHFFFAOYSA-N 425.438 4.190 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(C[C@H]2CSCCN2C(=O)OC(C)(C)C)n1 1342548435 CJBYUOHNNRYHQA-AWEZNQCLSA-N 434.518 4.157 5 20 IIBD O=C(/C=C/c1ccoc1)Nc1ccc(C2(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)CCC2)cc1 1786750408 WDQUOXPVVGIHOD-XNWCZRBMSA-N 447.447 4.355 5 20 IIBD O=C(CCCC(F)(F)F)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1 1790184197 BBVIHINGYJFXFR-UHFFFAOYSA-N 438.406 4.403 5 20 IIBD Cc1nc(C)c(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])[nH]4)cc3)CCC2)s1 1790184311 CWRNBJKZNWOOSX-UHFFFAOYSA-N 439.497 4.058 5 20 IIBD CN(C)c1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])[nH]4)cc3)CCC2)cc1 1790187184 CQZSKMGVGBFMJB-UHFFFAOYSA-N 447.495 4.050 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc2)CCC1)C1=CCCS1 1790755233 JJTZWXRDOPVXCA-UHFFFAOYSA-N 439.493 4.069 5 20 IIBD CC(C)[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C2)c1ccc(F)cc1 1802146174 LWOSAVBDNKIZGQ-NYUBLWNDSA-N 443.475 4.019 5 20 IIBD Cc1cscc1C(=O)N1CCC2(CCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)CC1 1804752017 SRWOCLHJRUJBJR-UHFFFAOYSA-N 441.553 4.052 5 20 IIBD CC1(C)CCC(CC(=O)N2CCCC23CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C3)CC1 1845258660 LMJCKAKGBUSCSQ-UHFFFAOYSA-N 445.535 4.086 5 20 IIBD O=C(CCc1ccccc1)N1CC2(CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 1845738739 SJMGXOVNISPMRO-UHFFFAOYSA-N 449.532 4.259 5 20 IIBD COc1ccc(NC(=O)COC(=O)C2c3ccccc3Oc3ccccc32)c([N+](=O)[O-])c1 10799792 QLJKWRMXBSSAFR-UHFFFAOYSA-N 434.404 4.023 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)ccc1F 15408328 KOGXSDWJSZABNX-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD Cc1ccc(NC(=O)NC(=O)CSc2nc3cc4ccccc4cc3c(=O)n2C)c(C)c1 22254514 VXKZECOWAKOSOE-UHFFFAOYSA-N 446.532 4.144 5 20 IIBD Cc1ccc(NC(=O)COC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c(Cl)c1 22720668 WTQYAFUTRFMLJU-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD Cc1ccc(-n2nc(C)c(NC(=O)COC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2C)cc1 23950660 UCRIFPCPBRDYHA-UHFFFAOYSA-N 442.859 4.155 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(Cn3cncn3)cc2)cc1 24635435 WSBOVKBXGBSUDS-UHFFFAOYSA-N 445.435 4.288 5 20 IIBD COc1cccc(Nc2nnc(SCC(=O)OCc3ccccc3[N+](=O)[O-])s2)c1 25212896 IFVPHHCXMISHLR-UHFFFAOYSA-N 432.483 4.034 5 20 IIBD Cc1c(NC(=O)[C@@H](C)Nc2ccc(NC(=O)NCc3ccco3)cc2)cccc1[N+](=O)[O-] 29720292 FYVKUZDXXMCHEZ-OAHLLOKOSA-N 437.456 4.257 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N(C)CC(=O)Nc3ccccc3)cc2[N+](=O)[O-])n1 45350941 PEMXNIBLRBEBEQ-UHFFFAOYSA-N 442.522 4.222 5 20 IIBD Cc1ccc(C(=O)N(C)c2ccc(OC(=O)c3cc([N+](=O)[O-])ccc3N(C)C)cc2)cc1 60962394 OZYFMAFVUSDZEU-UHFFFAOYSA-N 433.464 4.465 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2F)c1 116710230 MTHNAXRLNFPGQP-UHFFFAOYSA-N 443.456 4.201 5 20 IIBD Cn1cc(CNC2CCN(Cc3ccc(F)c(F)c3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 237751474 AHBYWBSRQPJMCE-UHFFFAOYSA-N 441.482 4.028 5 20 IIBD O=C(c1ccccc1)c1ccc(N2CCCN(C(=O)c3ccccc3F)CC2)c([N+](=O)[O-])c1 301077706 OBYVBZHCIIPGCZ-UHFFFAOYSA-N 447.466 4.317 5 20 IIBD O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)c(Br)c1 301720404 PUJSUQIZZWHCHZ-QFBILLFUSA-N 431.334 4.243 5 20 IIBD Cc1nc(-c2c[nH]c(C(=O)N[C@H](CC(=O)OC(C)C)c3ccccc3[N+](=O)[O-])c2)cs1 302844983 LVZBOCMMOFCPPO-MRXNPFEDSA-N 442.497 4.168 5 20 IIBD COC[C@H](Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1ccc(Cl)cc1 302859661 OJOROIUHRANFMY-KRWDZBQOSA-N 435.267 4.247 5 20 IIBD CC(C)(NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(Cl)c(Cl)c1 303118490 LTPUDNGSQCNQPT-UHFFFAOYSA-N 426.256 4.094 5 20 IIBD O=C(CN1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1)Nc1ccccc1[N+](=O)[O-] 303312234 PIUFHDRYHSBSSF-KRWDZBQOSA-N 428.247 4.053 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1F)c1ccccc1[N+](=O)[O-] 303543880 UMWBOANBIAERIP-LNLFQRSKSA-N 432.423 4.176 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2cccc3c(=O)n(C)ccc23)cc1[N+](=O)[O-])c1ccccn1 410358789 KBJPTQDSIWUTOF-OAHLLOKOSA-N 443.463 4.267 5 20 IIBD CC[C@H](NC(=O)c1ccc(C(=O)N[C@H](CC)c2ccncc2)c([N+](=O)[O-])c1)c1ccncc1 426779556 JABWITVXEKNXDI-LEWJYISDSA-N 447.495 4.147 5 20 IIBD O=C(O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 426826938 UQZJUMPUPMYNTK-RKOCDCBOSA-N 432.480 4.036 5 20 IIBD COc1cc(C(=O)N2CCOc3ccncc32)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 427151835 GIWXXTLZVFSVKX-UHFFFAOYSA-N 441.827 4.483 5 20 IIBD CN(c1ccccc1)c1ccc(CN2CCC3(CC2)CCS(=O)(=O)CC3)cc1[N+](=O)[O-] 430217989 IHIBULMYQHNJJT-UHFFFAOYSA-N 443.569 4.154 5 20 IIBD CCc1ccc([C@@H](c2cccnc2)N(CC)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 431911098 XHAHNHHMKJSYQR-QFIPXVFZSA-N 425.510 4.352 5 20 IIBD Cc1c(NC(=O)NCc2ccc(CN(C)C)c(F)c2)cc(Br)cc1[N+](=O)[O-] 435330619 UWXFFQDBIAXVNT-UHFFFAOYSA-N 439.285 4.188 5 20 IIBD CSc1ccc(C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] 435374683 JQRXDQUJLKZQPH-SFHVURJKSA-N 437.525 4.213 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)c1ccc(Br)cc1[N+](=O)[O-] 437265832 DOFVBZLOHIVPIB-UONOGXRCSA-N 440.091 4.406 5 20 IIBD CC(C)(CO)[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 438165789 KCLWDLIEYAYRKL-JOCHJYFZSA-N 428.532 4.073 5 20 IIBD CCNc1ccc(C(=O)Nc2ccc(Cl)cc2-c2nc(CCOC)no2)cc1[N+](=O)[O-] 439683494 HRXKYUXMHHTSLB-UHFFFAOYSA-N 445.863 4.171 5 20 IIBD CCc1ccc(C(=O)Nc2ccc(Cl)cc2-c2nc(CCOC)no2)cc1[N+](=O)[O-] 439687052 LGFUKXOQIPFBGJ-UHFFFAOYSA-N 430.848 4.302 5 20 IIBD CCCN(C(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3)c1cccc([N+](=O)[O-])c1 441443376 UPQIMKBGTGYKPD-UHFFFAOYSA-N 440.525 4.458 5 20 IIBD O=C(NCc1cccc(N2CCC2=O)c1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 441603100 XRBRFVYZUQXUGT-UHFFFAOYSA-N 433.489 4.413 5 20 IIBD C[C@@H](SCC(=O)Nc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 443406372 DNAVAAFHZKANOB-LLVKDONJSA-N 427.404 4.313 5 20 IIBD CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 443951577 KKMPIOIWXHHFHV-KRWDZBQOSA-N 443.523 4.375 5 20 IIBD CC(C)CN1CCCC[C@@H]1CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444239817 CHKFMTDSLSJJRD-QGZVFWFLSA-N 427.495 4.200 5 20 IIBD C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 444402903 VDZHEIFRFTYVGK-JLTOFOAXSA-N 441.871 4.164 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(C3(c4cccc(Cl)c4)CCOCC3)n2)c1 445572913 FETNWNBTFBADIE-UHFFFAOYSA-N 429.860 4.327 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(-c3cc(C(F)(F)F)ccc3Br)n2)n1C 445608983 QHMQKJRCPAVADN-UHFFFAOYSA-N 432.156 4.135 5 20 IIBD C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1cccc(OC(F)F)c1 445823386 DOPUMLDNYGXXND-JTQLQIEISA-N 429.217 4.379 5 20 IIBD COc1ccccc1-c1csc([C@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3N)C2)n1 446793417 PXQKYPBCGMXBPT-AWEZNQCLSA-N 438.509 4.329 5 20 IIBD Cc1occc1C(=O)Nc1cc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)ccc1F 446821674 RPQQPZFXKVFDMA-UHFFFAOYSA-N 438.415 4.478 5 20 IIBD COc1cc(C(=O)Nc2cnn(-c3ccc(C)cc3C)c2)c([N+](=O)[O-])cc1OC(F)F 467119095 ZTVSBWRZVCUJEZ-UHFFFAOYSA-N 432.383 4.260 5 20 IIBD Cn1c(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc2c(F)cccc21 468349333 AYQMJBDQTMTDHP-UHFFFAOYSA-N 428.367 4.370 5 20 IIBD COc1ccc2c(c1)CN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)[C@@H](c1ccccc1)C2 469468463 KIXOIQPLYUEKOF-JOCHJYFZSA-N 434.496 4.133 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCO[C@]4(CCO[C@@H]4C)C3)cc2[N+](=O)[O-])cc1 470674241 KETFIGDUHFZEMU-OPAMFIHVSA-N 428.510 4.074 5 20 IIBD O=C(CCC[S@@](=O)c1ccc(Br)cc1)Nc1cc(F)cc([N+](=O)[O-])c1 470696982 KKLHFTRPXPDLAU-RUZDIDTESA-N 429.267 4.023 5 20 IIBD COc1cc(C(=O)N(C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])cc1OC 470733355 OFNXWOMZRKJKMU-NSHDSACASA-N 443.283 4.458 5 20 IIBD C[C@@H](C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1ccc([N+](=O)[O-])cc1F 471461025 YHUBZVFFMDOLQL-IJPZITHUSA-N 425.229 4.411 5 20 IIBD COc1ccc(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1I 477726338 TUXOISGYHKFLFB-NSHDSACASA-N 440.237 4.007 5 20 IIBD COc1ccc(CN(CCc2ccccn2)C(=O)CSc2ccccc2[N+](=O)[O-])cc1 478145470 VJYRQWAQAZYZIT-UHFFFAOYSA-N 437.521 4.362 5 20 IIBD C[C@@H](C(=O)Nc1cccc(Nc2ccc([N+](=O)[O-])cc2Br)c1)n1cccn1 478300864 VJHDKKGBMPDZSZ-LBPRGKRZSA-N 430.262 4.497 5 20 IIBD CCC(=O)c1ccc(NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)c([N+](=O)[O-])c1 479289054 UXLAMHGDTOLADR-UHFFFAOYSA-N 430.404 4.222 5 20 IIBD CCc1c(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cnn1-c1ccc(Cl)cc1 480191109 CMMVSTVLARZWEL-UHFFFAOYSA-N 441.296 4.451 5 20 IIBD Cc1c([C@H](C)NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 482706302 JJZAVFXPMGMRMY-HNNXBMFYSA-N 425.464 4.173 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CCO)Cc1ccc(Br)s1 482972401 ANBAYRRDZCOYLH-CQSZACIVSA-N 441.347 4.009 5 20 IIBD COCCN(Cc1sccc1Br)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 483624626 YRIGQCANPACNQX-UHFFFAOYSA-N 428.308 4.408 5 20 IIBD CNC(=O)c1cc(Oc2cc(NC(=O)NCc3cccc([N+](=O)[O-])c3C)ccc2C)ccn1 484510464 XTEPINYKOQHXKC-UHFFFAOYSA-N 449.467 4.080 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CCC(NC(=O)C2CCCC2)CC1 486695359 QBYKYDQKOQMZNB-UHFFFAOYSA-N 441.450 4.095 5 20 IIBD CCc1c(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cnn1Cc1ccccc1 486733518 IOBCFDGUZHWCRS-UHFFFAOYSA-N 432.402 4.351 5 20 IIBD CN(C[C@@H]1CCOC1)C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 487989088 OLUIWONEULYSOV-ZDUSSCGKSA-N 429.523 4.464 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] 489442334 GHXXJIMFEANGMW-UHFFFAOYSA-N 448.907 4.128 5 20 IIBD COc1cc(-c2noc(CN(Cc3cccc([N+](=O)[O-])c3)C3CC3)n2)ccc1OC(F)F 490071160 YOXUWBMBAKRUFV-UHFFFAOYSA-N 446.410 4.419 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(n2ccc(C(F)(F)F)n2)CC1 492307233 FYWORLSYUWBAAM-NSHDSACASA-N 445.829 4.128 5 20 IIBD C[C@H]1[C@@H](CO)CCN1C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 495215720 RRQZJIDQPUMNOZ-GXTWGEPZSA-N 437.855 4.092 5 20 IIBD O=C(NCCSc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 499170524 AGYNJBAQIXIMGE-UHFFFAOYSA-N 435.918 4.040 5 20 IIBD Cc1ccc2c(C3=CCN(S(=O)(=O)CCc4ccc([N+](=O)[O-])cc4)CC3)c[nH]c2c1 503502821 GGRZHGWGEOWNGR-UHFFFAOYSA-N 425.510 4.046 5 20 IIBD O=C(CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])Nc1cccc2ccccc12 506595860 KSMJMIDBLNFUKE-UHFFFAOYSA-N 447.369 4.058 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN([C@H](C)c2ccc(F)cc2F)CC1 507671714 FWDBJFMPSYZTEM-HUUCEWRRSA-N 443.454 4.363 5 20 IIBD O=C(NC1(Cc2cccc(F)c2)CCOCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 508656325 QAOQXUHIWZUDLZ-UHFFFAOYSA-N 426.366 4.274 5 20 IIBD O=C(Cn1ccc([N+](=O)[O-])n1)N(Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1 508742485 DDEBGLNYIYYTKO-UHFFFAOYSA-N 434.374 4.261 5 20 IIBD O=C(Cc1cccc(Br)c1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 508916677 BHUYGCJNIUDHKU-UHFFFAOYSA-N 431.208 4.491 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1[N+](=O)[O-] 509804151 PODMTFKLPQOBDU-QGZVFWFLSA-N 441.228 4.158 5 20 IIBD C[C@H]1C[C@H](CCNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 510114319 USSADHNEMYAETM-ICSRJNTNSA-N 447.539 4.026 5 20 IIBD Cc1nn(-c2ccccc2)cc1CCCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 510818098 STHZVXWNJYQAHB-UHFFFAOYSA-N 445.426 4.445 5 20 IIBD COc1cc(C(=O)Nc2nc(C3CC3)cs2)c([N+](=O)[O-])cc1OCc1cscn1 511147198 RMWHXVXAEINZQA-UHFFFAOYSA-N 432.483 4.225 5 20 IIBD COc1cc(CCNC(=O)c2sc(-c3ccccc3)cc2OC)c([N+](=O)[O-])cc1OC 512365652 BUGXBXXVDGTVAI-UHFFFAOYSA-N 442.493 4.322 5 20 IIBD Cc1noc(C)c1CSc1ncccc1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 512955603 RYYMGCNVICVRQP-UHFFFAOYSA-N 426.498 4.202 5 20 IIBD CC1(C)CCC[C@@H]1N(Cc1ccccc1)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 513832822 QFXGSLVDXZDHOX-FQEVSTJZSA-N 430.526 4.219 5 20 IIBD COc1cccc([C@@H](C)NC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 515778395 LNHHZWHYZQINJK-GFCCVEGCSA-N 426.395 4.095 5 20 IIBD COc1ccccc1CN(C[C@H]1CCCO1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 516526467 LADUGJHYZPMFFL-HXUWFJFHSA-N 439.512 4.025 5 20 IIBD COc1cc(OCC(=O)NCc2nc(-c3ccc(Cl)cc3)c(C)s2)ccc1[N+](=O)[O-] 519058122 KFJIYSXDYJCENY-UHFFFAOYSA-N 447.900 4.384 5 20 IIBD CN(CCCOc1ccc(F)cc1)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 520648732 KTYUVGHSRUOWTK-UHFFFAOYSA-N 430.354 4.216 5 20 IIBD O=C(Nc1cc(-c2nnc3n2CCCCC3)ccc1F)c1c[nH]c2cc([N+](=O)[O-])ccc12 521780482 XEQVIIDCHAVEDM-UHFFFAOYSA-N 434.431 4.452 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CNCc3ccc(OCCN4CCCC4)cc3)cs2)c1 522213006 XSPMGXVTPCSFBS-UHFFFAOYSA-N 438.553 4.483 5 20 IIBD COc1ccc(CNC(=O)N[C@@H](c2ccccc2)c2nc3ccccc3n2C)cc1[N+](=O)[O-] 522435525 UYNBCYROAWZBNR-QFIPXVFZSA-N 445.479 4.079 5 20 IIBD O=C(NCCOc1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1Br 523486140 XRXCQIINKGASQO-UHFFFAOYSA-N 433.180 4.185 5 20 IIBD COc1cc(C(=O)NCc2ccc(-c3nc4ccccc4[nH]3)cc2)c([N+](=O)[O-])cc1OC 524475825 LOORARFWABVIHU-UHFFFAOYSA-N 432.436 4.085 5 20 IIBD O=C(Cc1coc2ccc3ccccc3c12)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 524861961 FWONDKWZDAJGMW-UHFFFAOYSA-N 443.459 4.021 5 20 IIBD C[C@@H](O)CN(Cc1ccccc1)C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 524990082 FMUFWPKYSFFFBZ-QZTJIDSGSA-N 434.496 4.186 5 20 IIBD COc1cc(C(=O)Nc2ccnn2Cc2cccc3ccccc23)cc([N+](=O)[O-])c1OC 525044647 CVBPTLPFIAXDAY-UHFFFAOYSA-N 432.436 4.262 5 20 IIBD COC(=O)[C@H](c1ccccc1)N(C)C(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 525688846 XQMMFFPEZCGNSS-HOIFWPIMSA-N 439.512 4.063 5 20 IIBD CN1CCN(CCCNCc2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)CC1 525694606 TXNBXLKBEBOKHZ-UHFFFAOYSA-N 440.588 4.412 5 20 IIBD C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1cc2ccccc2s1 526952198 UTAANCIFJCJOLG-GXTWGEPZSA-N 429.523 4.353 5 20 IIBD O=C(CN1CCO[C@H](c2ccc(F)c(Cl)c2)C1)Nc1ccc([N+](=O)[O-])cc1Cl 532545157 SZRVVFGKNNLNNE-KRWDZBQOSA-N 428.247 4.053 5 20 IIBD COc1cc(NS(C)(=O)=O)ccc1NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 532741970 BMENCAZSBOKJJQ-UHFFFAOYSA-N 433.511 4.316 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 533899914 HDTAADPTKYHXHB-UHFFFAOYSA-N 435.459 4.239 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1csc2ccccc12 534972823 RZTLOOIOWMWMMO-UHFFFAOYSA-N 444.534 4.437 5 20 IIBD CO[C@@H](c1ccc(F)cc1)[C@H](C)Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl 536618537 DVUKTVITGDJDMD-HXPMCKFVSA-N 432.839 4.121 5 20 IIBD O=C(N[C@H]1CCCOc2cc(Cl)ccc21)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 537267465 MOMPPZDWCRBKCV-HNNXBMFYSA-N 445.888 4.161 5 20 IIBD CCN(Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)[C@H](C)CS(C)(=O)=O 537637754 SMEGDTCOVJKWEM-CQSZACIVSA-N 426.922 4.296 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)cc1[N+](=O)[O-] 537865691 YOPHZHAKFPERLM-MRXNPFEDSA-N 445.475 4.321 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2c(F)cc(Cl)cc2F)cc1[N+](=O)[O-] 539349630 RUPXZWAJMGKFSF-UHFFFAOYSA-N 425.804 4.058 5 20 IIBD COc1cc(C(=O)N2CCC[C@@H](C)[C@@H]2CO)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 539773522 JVWOAWODAOYTDH-DYVFJYSZSA-N 434.876 4.282 5 20 IIBD Cc1cccc(C2=CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)c1 539945635 XQORCLRFCRXBSB-UHFFFAOYSA-N 426.416 4.400 5 20 IIBD COc1cccc(OC)c1Oc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)cn1 542719754 LXNGZIRVADXKAI-UHFFFAOYSA-N 442.403 4.260 5 20 IIBD C[C@@H](CNC(=O)c1ccccc1)c1noc([C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n1 545037395 FSCFDAVSNQRDLL-QWHCGFSZSA-N 430.848 4.305 5 20 IIBD O=C(NCCc1nc(-c2ccc(OC3CCCCC3)cc2)no1)c1ccc([N+](=O)[O-])cc1 546360712 KPXPTDPLBGGBHT-UHFFFAOYSA-N 436.468 4.329 5 20 IIBD CC(C)Oc1cccc(-c2noc(-c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)n2)c1 546367705 GQZHSZVJTRZDQI-UHFFFAOYSA-N 438.469 4.379 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1nc(Cc2ccc(OCc3cccnc3)cc2)no1 546993316 ZRUWIULSNLQAGW-UHFFFAOYSA-N 431.452 4.197 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(Cc3ccc(C(F)(F)F)cn3)no2)c(Br)c1 547008264 SNCFEEJIMVQPJB-UHFFFAOYSA-N 429.152 4.412 5 20 IIBD COc1ccc([N+](=O)[O-])cc1OC[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 550177425 YVLCDIWTWWQNIH-FQEVSTJZSA-N 445.418 4.428 5 20 IIBD Cc1c(C(=O)Nc2cccc(OCCc3ccccc3)c2)nnn1-c1cccc([N+](=O)[O-])c1 551032672 XMUCWKYUSZEBMG-UHFFFAOYSA-N 443.463 4.358 5 20 IIBD O=[N+]([O-])c1ccc(C(F)(F)F)c(-c2nc([C@H]3CN(Cc4ccccc4)CCO3)no2)c1 551356115 UJKNOLHTZHCPSX-QGZVFWFLSA-N 434.374 4.237 5 20 IIBD C[C@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])[C@@H]1OCCc2sccc21 552267062 MOENWAIJOOHVGG-QFYYESIMSA-N 430.404 4.030 5 20 IIBD Cc1cc(NC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)ccc1-c1ccncc1 552898440 QFWQOMFTTBFFRE-UHFFFAOYSA-N 441.447 4.072 5 20 IIBD CC[C@@H]1CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@H](C)[S@@]1=O 553065360 JCPSHWVALIFZAA-RDYUYVNCSA-N 436.917 4.412 5 20 IIBD O=C(c1cc(O)cc([N+](=O)[O-])c1)N(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 553197701 ZGPCJWFHEARDCT-QFIPXVFZSA-N 446.507 4.002 5 20 IIBD C[C@@H](NC(C)(C)CNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ccccc1 556564944 UWJHDRVNICBROD-MRXNPFEDSA-N 440.544 4.076 5 20 IIBD C[C@H](NC(=O)NCCc1c[nH]c2cccc(Br)c12)c1cccc([N+](=O)[O-])c1 558601498 HVMDFUSMYBUMPY-LBPRGKRZSA-N 431.290 4.442 5 20 IIBD COc1cc(Cc2noc([C@H]3CCN(c4ccccc4Cl)C3)n2)c([N+](=O)[O-])c(OC)c1 564451744 BHCLBDAXUCBHIL-ZDUSSCGKSA-N 444.875 4.233 5 20 IIBD CC(C)(C)[C@H](NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(F)cc1F 571441347 DBESNACNPRUVNH-HXUWFJFHSA-N 445.466 4.268 5 20 IIBD CC(=O)Nc1cc(F)c(F)cc1NCc1cc(I)cc([N+](=O)[O-])c1 573029747 NOBKKQGQJHSJQH-UHFFFAOYSA-N 447.179 4.048 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CNc2ccc(SCCCO)cc2)c1 575958186 DAVGDFAVGVFXHA-UHFFFAOYSA-N 444.294 4.286 5 20 IIBD COc1cc(CNc2ccc(C(F)(F)F)nn2)ccc1OCc1ccc([N+](=O)[O-])cc1 581044934 VKZLRUDUSNLPAC-UHFFFAOYSA-N 434.374 4.603 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)Nc1cc(F)c(Cl)cc1N1CCOCC1 581155648 LVZBXRVBOSCNCZ-UHFFFAOYSA-N 443.262 4.199 5 20 IIBD CCC[C@H](NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(F)cc1F 583777496 ZPJLSNMAPGOYQQ-IBGZPJMESA-N 431.439 4.022 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F 591757973 CQTMMVJRVHWRAG-UHFFFAOYSA-N 436.390 4.403 5 20 IIBD COc1ccc(CN(C)C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc1OC 598784737 XVOZQQAPDVJPMZ-IRXDYDNUSA-N 441.528 4.367 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3ccc(NC(=O)NC4CC4)cc3)cc2[N+](=O)[O-])CC1 601973597 QXUXAUWIZVTLKW-UHFFFAOYSA-N 437.500 4.367 5 20 IIBD CCN1CCC[C@@H]1CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 603458604 YGOWCKLYVXAWBJ-MRXNPFEDSA-N 433.892 4.263 5 20 IIBD CCOc1cc(NC(=O)N[C@@H](c2ccccc2)c2nccn2C)c([N+](=O)[O-])cc1OCC 603651254 CQENJFOQKNHDOW-FQEVSTJZSA-N 439.472 4.037 5 20 IIBD COc1cc(OC)cc(-c2nnc(SCc3nc(-c4ccc([N+](=O)[O-])cc4)no3)o2)c1 603680194 JBLWMTQBRUVRLN-UHFFFAOYSA-N 441.425 4.004 5 20 IIBD COC(=O)c1ccc(OCC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 603906715 LXQIBGFCYFWIMJ-IBGZPJMESA-N 440.496 4.421 5 20 IIBD C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1cc(F)ccc1N1CCN(C)CC1 608839311 ZAUMWISNQZJUTM-CQSZACIVSA-N 442.516 4.191 5 20 IIBD CC(C)[C@H](NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc(C2CC2)no1 609022095 DVLORSIZIFJMNI-HNNXBMFYSA-N 444.435 4.480 5 20 IIBD Cc1ccccc1[C@H](CC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)NC(N)=O 609762206 QEBBYSAKQSAUIZ-NRFANRHFSA-N 434.452 4.434 5 20 IIBD O=C(NCCCOC1CCCC1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 609857024 QQHNSMDLDDAQRT-UHFFFAOYSA-N 427.288 4.166 5 20 IIBD CCOc1cc(CCCNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)ccc1OC 609865873 MGUUOTOQKBDWHJ-UHFFFAOYSA-N 441.509 4.488 5 20 IIBD O=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 609883255 MGLZBKHIHXNNQP-LLVKDONJSA-N 449.945 4.084 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N(Cc1ccccc1)CC1CCOCC1 610045086 WLYOSCNQILWKMO-UHFFFAOYSA-N 433.302 4.426 5 20 IIBD CCN1CC[C@H](N(C)C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C[C@H]1C 610125913 YMHTYGPDKACCAM-OLZOCXBDSA-N 440.331 4.032 5 20 IIBD CCC(CC)[C@H](NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 610145348 UPFHRYNMZLSGTG-QFIPXVFZSA-N 438.528 4.240 5 20 IIBD COc1ccccc1-c1ccc([C@H](C)NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1 610188915 BOSIYMUOLWAJLV-HNNXBMFYSA-N 447.447 4.056 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccn(-c2ncccc2F)n1 611163729 WKWCFTLUDJSWHT-UHFFFAOYSA-N 441.366 4.064 5 20 IIBD Cn1cnc([N+](=O)[O-])c1-c1noc(-c2ccc(-n3nccc3-c3ccc(F)cc3)cc2)n1 618418083 DJRPPOPZTOGFAG-UHFFFAOYSA-N 431.387 4.037 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl 726154725 SSFFETNPGGLUFN-UHFFFAOYSA-N 440.681 4.078 5 20 IIBD COc1ccc(CCNc2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])cc1F 728286789 GVXMBWPRAQSTRM-UHFFFAOYSA-N 444.213 4.076 5 20 IIBD COC(=O)C1CCC(NCc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])CC1 730107246 DWVISDHTPQIJFO-UHFFFAOYSA-N 428.485 4.004 5 20 IIBD C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC([C@H](O)c2ccc(F)cc2)CC1 731035728 XIRAWWISAVUTKG-RNODOKPDSA-N 435.883 4.160 5 20 IIBD COc1ccc(CNC[C@]2(O)CCCc3ccccc32)cc1OCc1ccc([N+](=O)[O-])cc1 731360944 QUGCLRGHNPAHGW-AREMUKBSSA-N 448.519 4.496 5 20 IIBD COc1ccc2cc(/C=C/C(=O)O[C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)ccc2c1 731508751 RLGRLCBXRDCAFT-MOVYNIQHSA-N 432.432 4.119 5 20 IIBD CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1cc([N+](=O)[O-])c(C=O)cc1OC 731613204 WLOCFNTUKNNREF-UHFFFAOYSA-N 441.267 4.150 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 731640044 XYKJYHUPDUNCCD-LJQANCHMSA-N 437.452 4.030 5 20 IIBD CC(C)(C)OC(=O)NCc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 732525449 KTDWTDMNNNOFOH-UHFFFAOYSA-N 441.893 4.074 5 20 IIBD COc1cccc(COC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1OC(F)F 734969876 JSNNRELIHUOBNR-SNVBAGLBSA-N 431.775 4.369 5 20 IIBD COc1ccc([C@H]2[C@@H](COC(=O)c3ccc(Cl)cc3[N+](=O)[O-])CCC(=O)N2C)cc1 735786323 WUHPGZAFXGQHGX-VLIAUNLRSA-N 432.860 4.023 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)CCCCOc1ccc(S(C)(=O)=O)cc1 736158623 NVAXTOKDEHOGLW-UHFFFAOYSA-N 440.905 4.148 5 20 IIBD O=C(CCCc1nc(O)c2ccccc2n1)OCc1ccc([N+](=O)[O-])cc1Br 739579862 MUMBIYVCMHHYQS-UHFFFAOYSA-N 446.257 4.072 5 20 IIBD O=C(Nc1ccc(C(=O)OCc2ccccc2[N+](=O)[O-])c(O)c1)c1cc(F)cc(F)c1 741009551 JMDKDKVPILQLHC-UHFFFAOYSA-N 428.347 4.188 5 20 IIBD Nc1ccc(C(=O)NCc2ccc(Oc3ccccc3C(F)(F)F)nc2)cc1[N+](=O)[O-] 742116185 WVXADXZDNMJYDD-UHFFFAOYSA-N 432.358 4.313 5 20 IIBD Cc1cc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 742426189 WNWKJZMGQUVAJQ-UHFFFAOYSA-N 435.440 4.316 5 20 IIBD C[C@@H](OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)Nc1ccc(C(C)(C)C)cc1 743122447 PIAJXAWYDASXFK-OAHLLOKOSA-N 436.468 4.262 5 20 IIBD Cc1ccc(N2CCC[C@@H](OC(=O)Cn3c4ccccc4c(=O)c4ccccc43)C2=O)cc1 744640225 WGRXYKGGCCCOPM-XMMPIXPASA-N 440.499 4.202 5 20 IIBD O=C(OCc1ncc(-c2cccc(Br)c2)o1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 744768055 WWOPYWORIYMWIP-UHFFFAOYSA-N 448.185 4.278 5 20 IIBD Cc1cc(C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)ccc1NC(=O)CC(C)C 745294087 JJHZYBONAVUWOZ-UHFFFAOYSA-N 438.440 4.295 5 20 IIBD O=C(c1ccc(Oc2ccccc2Cl)nc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 746505503 FIBJCDRIOYFAEU-UHFFFAOYSA-N 438.871 4.398 5 20 IIBD C[C@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)Nc1c(F)cccc1F 747958411 LIZUCKLJDZWFCE-JTQLQIEISA-N 433.392 4.181 5 20 IIBD Cc1c(C(=O)NCc2ccc(CN3CCCCCC3)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748727909 FMADPXPPLMXTDL-UHFFFAOYSA-N 440.500 4.426 5 20 IIBD O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCO[C@H](c2cccc(Br)c2)C1 748783071 MPIADOUBLWSSDE-INIZCTEOSA-N 425.666 4.224 5 20 IIBD Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2Br)cccc1C(=O)N1CCCC1 751126458 ZCUJNXLDDXKJKE-UHFFFAOYSA-N 432.274 4.154 5 20 IIBD CCCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)[C@@H]1CCCN(Cc2ccccc2)C1 751167667 PEJHLCJYXKVCMV-HXUWFJFHSA-N 440.500 4.328 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](CCN2CCCC2=O)c2ccccc21 751340803 WMRSFYSGFJZXRD-SJORKVTESA-N 439.537 4.218 5 20 IIBD Cc1cc(F)cc(C(=O)O[C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)c1[N+](=O)[O-] 752556692 CHVNCWWCDITSAH-ZDUSSCGKSA-N 435.477 4.410 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2cc(N3CCCC3=O)ccc2F)cc1[N+](=O)[O-] 753046577 SKNZZYNUNYOQQK-UHFFFAOYSA-N 436.237 4.184 5 20 IIBD Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2Br)n(-c2ccc([N+](=O)[O-])cc2)n1 757915652 OAYGOGXYBFSQNH-UHFFFAOYSA-N 446.217 4.012 5 20 IIBD CCCc1c(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1-c1ccc(C)cc1 758884211 KLBANSLEKKKKAV-UHFFFAOYSA-N 447.451 4.448 5 20 IIBD O=C(O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1cnn(Cc2ccccc2Cl)c1 759944954 SSWBBXRKWUZLJX-ROUUACIJSA-N 429.864 4.030 5 20 IIBD CCOC(=O)c1cc(-c2nc([C@H](NC(=O)OC(C)(C)C)C(C)C)no2)cc([N+](=O)[O-])c1 762033077 RNTXBWPCVDYWIL-OAHLLOKOSA-N 434.449 4.043 5 20 IIBD CN1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 762724775 CKFPXBNBXWZTIF-XIKOKIGWSA-N 426.275 4.464 5 20 IIBD CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc([N+](=O)[O-])cc(C)c1F 764097478 BQYMTMANWCYDRP-UHFFFAOYSA-N 427.354 4.162 5 20 IIBD CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)n2)s1 764158697 KGZXSGWZDRNVEW-UHFFFAOYSA-N 436.902 4.322 5 20 IIBD COc1ccccc1/C=C(\C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccccc1 769603969 LMQNICYXYZJRGD-UYRXBGFRSA-N 428.448 4.337 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1COC1CCOCC1 770330318 GVBBLSADZAYTQU-UHFFFAOYSA-N 435.274 4.305 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccc(Cl)cc1C(F)(F)F 770498018 MODDFBFBQVWZLP-SECBINFHSA-N 446.765 4.460 5 20 IIBD CCOc1cc(-c2noc([C@@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)n2)cc(Cl)c1O 771107072 BCCGUBRRERFAMT-INIZCTEOSA-N 430.804 4.268 5 20 IIBD Cn1nc(C(F)(F)F)c(COC(=O)c2sc(Br)cc2[N+](=O)[O-])c1Cl 773603768 QNNLBMAZTKMKKS-UHFFFAOYSA-N 448.604 4.182 5 20 IIBD CC(C)[C@@H](OC(=O)c1sc(Br)cc1[N+](=O)[O-])C(=O)N1CCCC[C@H]1C 773604963 LFBICEOXYAQETI-ZWNOBZJWSA-N 433.324 4.001 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(CCN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 774229057 YUKDRVMVWFWOIV-RBUKOAKNSA-N 429.521 4.454 5 20 IIBD CC(C)([C@@H](OC(=O)CCC(=O)c1ccccn1)c1ccc(Br)cc1)[N+](=O)[O-] 774374342 IWXVYCXBCVFYIA-SFHVURJKSA-N 435.274 4.147 5 20 IIBD C[S@](=O)c1cccc(C(=O)O[C@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])c1 774376124 YUVDSQKAHOKYEH-DXPJPUQTSA-N 440.315 4.140 5 20 IIBD O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 776588352 RXCYSWJYPFQHHQ-RTBURBONSA-N 438.311 4.428 5 20 IIBD COc1cc(COC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)c([N+](=O)[O-])cc1OCC(F)F 780060441 KQJIANSOPFXPOT-HUUCEWRRSA-N 425.359 4.233 5 20 IIBD Cc1ccc(C)c(NC(=O)COC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 781257691 MSDCCZUITBNWMX-UHFFFAOYSA-N 436.414 4.372 5 20 IIBD O=C(O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 781570311 CNSOOIOOCGOWPJ-INIZCTEOSA-N 447.422 4.164 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCc1csc(-c2ccc(F)cc2)n1 781734182 ACVGIRDWMNEBPI-UHFFFAOYSA-N 431.401 4.442 5 20 IIBD C[C@H](OC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)C12CC3CC(CC(C3)C1)C2 781736339 MAVROHGXYZXDRO-QRYOHXEKSA-N 430.457 4.153 5 20 IIBD C[C@H]1CCCCN1CCC1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)CC1 782173721 IEQMLFPANNDMJT-HNNXBMFYSA-N 438.366 4.474 5 20 IIBD CCOc1cc(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC 782427518 RUYBCNMQXQXQQJ-UHFFFAOYSA-N 429.307 4.181 5 20 IIBD O=C(Nc1cccc(SC(F)F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 784325837 MATDZYNGKMYVOT-UHFFFAOYSA-N 433.339 4.088 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3cccc(F)c3)c(F)c2)cc1[N+](=O)[O-] 784731636 CCJYMKNSGZFBAA-UHFFFAOYSA-N 432.404 4.196 5 20 IIBD CCCCCCOc1ccc(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1OC 785305849 CRIMMEIIMQAHBR-UHFFFAOYSA-N 430.505 4.236 5 20 IIBD CC1(C)C[C@H](OC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCO1 785903305 AOITYWXITWWWLT-OAHLLOKOSA-N 430.423 4.331 5 20 IIBD Cn1cc(C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c(-c2ccc(Cl)s2)n1 789289615 KPULKLNWKLKURQ-UHFFFAOYSA-N 445.844 4.117 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCC(c2ncc3n2CCCC3)CC1 790159810 LLRJUNPKOVWDQK-UHFFFAOYSA-N 437.544 4.138 5 20 IIBD O=C(COc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1N1C(=O)c2ccccc2C1=O 790264875 PPKIWEQKJKYNEI-UHFFFAOYSA-N 436.807 4.311 5 20 IIBD CC1(c2cccc(Cl)c2)CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 794344195 YQUMBLZIPPSHDR-UHFFFAOYSA-N 443.931 4.279 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCOc1cc(Cl)c(Cl)cc1[N+](=O)[O-] 794496506 KEZXXGWQOHXSFX-UHFFFAOYSA-N 428.184 4.187 5 20 IIBD COc1cc(C(=O)OCC(=O)c2csc3ccccc23)c([N+](=O)[O-])cc1OC(F)F 795376453 PWFXFCWGMORXQP-UHFFFAOYSA-N 437.376 4.459 5 20 IIBD Cn1nc(C(F)F)c2cc(C(=O)OCc3coc(-c4ccc([N+](=O)[O-])cc4)n3)sc21 795719726 CBMPBZNBCUVWSV-UHFFFAOYSA-N 434.380 4.493 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3ccc(Cl)cc3OC)CC2)ccc1[N+](=O)[O-] 797647231 BISVICPVFPKXIW-UHFFFAOYSA-N 434.880 4.010 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(Cc2ccccc2)C[C@H](O)c2ccsc2)c1 798332354 TXJAPFFTJNZAGJ-NRFANRHFSA-N 440.521 4.496 5 20 IIBD C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 799052177 FACXMVVEUZAEPT-TYRIBLQHSA-N 445.741 4.412 5 20 IIBD CCN(c1ccc(Cl)cc1F)S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 799547201 XWFQJZZZRHXEGJ-UHFFFAOYSA-N 431.829 4.128 5 20 IIBD CN(Cc1cccc(Br)c1OC[C@@H]1CCCO1)c1cc(N)ccc1[N+](=O)[O-] 800869404 OCRSVXQJBBUUEH-HNNXBMFYSA-N 436.306 4.134 5 20 IIBD COc1cccc(COc2cccc(NC(=O)c3cc([N+](=O)[O-])c(F)cc3N)c2C)c1 801931734 NUGFSHUHSBHDIH-UHFFFAOYSA-N 425.416 4.464 5 20 IIBD C[C@H](OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 802075627 ZRMLUXUQBKQCDB-LBPRGKRZSA-N 432.479 4.040 5 20 IIBD COc1ccc(COCCCc2noc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)n2)cc1 809441189 ZMQFQXBIIHPSJX-UHFFFAOYSA-N 438.484 4.403 5 20 IIBD CC[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1Cl)[C@@H]1CN(Cc2ccccc2)CCO1 809915659 AUHUWLVSBQUMKB-APWZRJJASA-N 432.908 4.049 5 20 IIBD C[C@@H](OC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(=O)N[C@H]1CCOc2ccccc21 811374700 MEVCMPQHGFVXLQ-BMIGLBTASA-N 439.251 4.087 5 20 IIBD C[C@@H](OC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(=O)NC[C@H](C)c1ccccc1 811375374 YFJOTTFYBRKLTQ-NWDGAFQWSA-N 425.268 4.367 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c(O)c1 811566129 OSEJTCXCOZIVJB-UHFFFAOYSA-N 440.456 4.101 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCC[C@](CO)(Cc2ccccc2)C1 812485440 SJGXWYYYQAHCHQ-IBGZPJMESA-N 439.390 4.343 5 20 IIBD COc1ccc([C@H](O)C2CCN(C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 812891513 IZAJTMDBLVCZGJ-ZHRRBRCNSA-N 427.501 4.128 5 20 IIBD O=C(O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)c1csc(-c2ccc(F)cc2)n1 813171793 AXLBDFKCJJQHDK-SFHVURJKSA-N 427.457 4.289 5 20 IIBD COc1cc(COC(=O)c2ccc(OC(C)(C)C)cn2)c([N+](=O)[O-])cc1OC(F)F 814518319 MVIZQIHDQICDSU-UHFFFAOYSA-N 426.372 4.134 5 20 IIBD COc1ccccc1NC(=O)[C@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(C)C 877067639 JXLBKGPBKRWBIG-OAQYLSRUSA-N 441.484 4.024 5 20 IIBD COC(=O)c1ccc(C(=O)Oc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)cc1 890072169 INBTWRSASWXHHV-UHFFFAOYSA-N 445.383 4.374 5 20 IIBD CSc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)ccc1N 913280564 QVOPNUUHRQPJDS-SECBINFHSA-N 443.403 4.102 5 20 IIBD COc1cc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)ccc1OC1CCCC1 917309113 KKOOTIKBRAIGTD-UHFFFAOYSA-N 429.425 4.148 5 20 IIBD NC(=O)c1ccc(SCC(=O)Nc2cccc(COc3ccccc3)c2)c([N+](=O)[O-])c1 917855481 WULYRXUFXZQMKS-UHFFFAOYSA-N 437.477 4.004 5 20 IIBD O=C(OCc1nc(-c2cc(Br)cs2)no1)c1ccc(Cl)cc1[N+](=O)[O-] 917967780 BRUSKSFHLRQRPY-UHFFFAOYSA-N 444.650 4.479 5 20 IIBD CSc1cc(C(=O)COC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)ccc1NC(C)=O 918875533 PCNUNMHPJNTLOC-LBPRGKRZSA-N 448.522 4.182 5 20 IIBD C[C@H](Sc1ccccc1Cl)C(=O)O[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 919508056 YMXQJHKFRRJTDK-MNOVXSKESA-N 426.853 4.438 5 20 IIBD COc1ccc(S[C@@H](C)C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 919515239 MQCBCHJZVGFXCT-STQMWFEESA-N 429.454 4.438 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@H](OC(=O)CNc1ccccc1[N+](=O)[O-])c1ccccc1 920602908 FEVRVIODVUZKSS-HSZRJFAPSA-N 449.463 4.247 5 20 IIBD C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1N)c1ncc(-c2ccccc2)o1 1322737410 VSRHMKVGAXJDSQ-SNVBAGLBSA-N 431.246 4.086 5 20 IIBD Cc1ccc(NCc2ccc([N+](=O)[O-])cc2Br)cc1-c1nnnn1C1CC1 1338293646 VCFMNCFSXIGZOU-UHFFFAOYSA-N 429.278 4.266 5 20 IIBD C/C(=C\c1cccnc1)C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1 1785751535 IAEFNHDKMJECNK-JQIJEIRASA-N 446.463 4.434 5 20 IIBD Cc1cccnc1CCC(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1 1786798581 UYIXOGBGKIBUQF-UHFFFAOYSA-N 447.495 4.007 5 20 IIBD CCc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])[nH]4)CCC3)cc2)cc(C)n1 1788839420 AWNHONRSJUJEKX-UHFFFAOYSA-N 447.495 4.250 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1)c1cc(F)cc(F)c1 1790187346 XSMAKIJPVBIKIT-UHFFFAOYSA-N 440.406 4.263 5 20 IIBD C/C=C(\C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc([N+](=O)[O-])c(OC)c3)CCC2)cc1 1791218497 FTYXJSNALNOPFG-AYSLTRBKSA-N 437.496 4.246 5 20 IIBD Cc1c(Cl)cccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C2 1792745031 GJSMSDQSJFHAQU-QDMKHBRRSA-N 445.878 4.261 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)s1)c1cccc(F)c1[N+](=O)[O-] 1795043054 ZEYLIQALNXJAGA-ZSBIGDGJSA-N 437.880 4.014 5 20 IIBD Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCC3CCC3)CC2)ncc1[N+](=O)[O-] 1824350681 NMFLSZPRIMRWQG-NRFANRHFSA-N 442.560 4.112 5 20 IIBD O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCC([C@@H]2CCCCN2C(=O)CCC2CCC2)CC1 1824353079 YEMGWZRRJWEXHL-FQEVSTJZSA-N 443.544 4.114 5 20 IIBD C/C=C/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(F)ccc([N+](=O)[O-])c2C)CC1 1830729724 USRGHFVCWOKMOI-JHEFFXGNSA-N 443.519 4.408 5 20 IIBD CCC[C@H]1CC[C@H](C(=O)N2CC3(CCCN3C(=O)c3c(F)ccc([N+](=O)[O-])c3C)C2)CC1 1845494064 HPJRZKPQCYPHHK-IYARVYRRSA-N 445.535 4.466 5 20 IIBD Cc1cc(CCCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C2CCCCC2)c([N+](=O)[O-])cc1F 1847713954 WCBSMMDIAVKDAR-SFTDATJTSA-N 445.535 4.147 5 20 IIBD C[C@@H](OC(=O)c1ccc(F)cc1Br)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 17837341 GDDWVYAPGWIETQ-SECBINFHSA-N 436.193 4.464 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCCc2cc(C(F)(F)F)ccc21 24471536 LFKIBDRSMDWFQH-UHFFFAOYSA-N 449.385 4.281 5 20 IIBD CC(C)n1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc2ccccc2c1=O 24769397 JNPBGVNLXITREN-UHFFFAOYSA-N 432.889 4.270 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Sc2nc3cc4ccccc4cc3c(=O)n2C)c(OC)c1 26580910 KKEDYBCFVCJLNQ-CQSZACIVSA-N 449.532 4.223 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 28789139 OTZOTAHGEIFUNG-UHFFFAOYSA-N 446.492 4.277 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccccc2CN(C)C2CCCCC2)cc([N+](=O)[O-])c1 45793354 MBVOTYCHBCXYSU-UHFFFAOYSA-N 425.485 4.398 5 20 IIBD CCOc1cc(C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)c([N+](=O)[O-])cc1OC 58770963 YQTGOKUMNFKBOG-MRXNPFEDSA-N 436.411 4.411 5 20 IIBD O=C(NCc1cccc(OCc2ccccn2)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 60458620 GTPGWIIFTZKVHJ-UHFFFAOYSA-N 446.507 4.102 5 20 IIBD CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 71929120 LNPHBXZVRFRWMK-QGZVFWFLSA-N 438.528 4.043 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC[C@H](O)c1ccc2ccccc2c1 78775340 IAOVWEHGCZKMDP-FQEVSTJZSA-N 447.413 4.419 5 20 IIBD CCOc1ccc2c(c1)CN(C(=O)c1ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc1)CC2 109433644 ZGPPOULYTKUFCD-UHFFFAOYSA-N 434.496 4.054 5 20 IIBD COc1cc(NCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)ccc1[N+](=O)[O-] 301377111 RXOYLXYBMYZKSF-UHFFFAOYSA-N 437.475 4.076 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H]3CCO[C@@H](C4CC4)C3)c([N+](=O)[O-])c2)c(C)c1 302191759 ZIIZSRBPFUIEJG-VGOFRKELSA-N 445.541 4.382 5 20 IIBD CS(=O)(=O)c1cc(C(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)cc([N+](=O)[O-])c1 303066639 YZGQSAYANPGSEH-HXUWFJFHSA-N 444.896 4.171 5 20 IIBD O=C(CCN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)Nc1ccccc1[N+](=O)[O-] 410030876 SGBXVKRKUXDFRY-GFCCVEGCSA-N 428.436 4.278 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C)c(OC(C)C)c1 427616534 XINSZUHWKLBKMR-IBGZPJMESA-N 445.541 4.181 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(CO)c1)N[C@@H](c1ccccc1)c1cccc(Cl)c1 428070779 NVYCSWWAPXNKRF-QFIPXVFZSA-N 426.856 4.025 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCC(c3ncccc3Cl)CC2)c(C)c([N+](=O)[O-])c1 429628327 GJAQWTPFKAFBLG-UHFFFAOYSA-N 432.864 4.150 5 20 IIBD C[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1noc(-c2ccc(Cl)cc2)n1 430482909 JYMARFDQXLWHBT-GFCCVEGCSA-N 425.832 4.130 5 20 IIBD COc1ccc(CN(CCc2ccccn2)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 431431111 DZMJGJHWPRRNSD-UHFFFAOYSA-N 436.468 4.284 5 20 IIBD CCC(C)(C)NC(=O)c1ccc(N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl 433693448 JCWKSJYFDRJKFN-LJQANCHMSA-N 444.919 4.384 5 20 IIBD COc1cc(C(=O)N2CC3(CCC3)c3cc(Br)ccc32)cc([N+](=O)[O-])c1OC 433732730 YSWGZYRPOKKEIO-UHFFFAOYSA-N 447.285 4.457 5 20 IIBD Cn1c(SCc2nc3cc([N+](=O)[O-])ccc3o2)nc2sc3c(c2c1=O)CCCC3 434810108 XEMBJZRRTVFCHQ-UHFFFAOYSA-N 428.495 4.216 5 20 IIBD COCCN(C(=O)c1cccc(OC)c1[N+](=O)[O-])[C@@H](C)c1cccc(C(F)(F)F)c1 435608954 WMKRRCNBIOASMC-ZDUSSCGKSA-N 426.391 4.472 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc(OCC(F)F)c(C(F)(F)F)c2)cc([N+](=O)[O-])c1 436293454 MURCZSYLPFPGEI-UHFFFAOYSA-N 448.300 4.296 5 20 IIBD Cc1nc(-c2ccc(Br)cc2)c(NC(=O)c2cccc([N+](=O)[O-])c2O)n1C 436666298 QIWQGAPUBVMEEU-UHFFFAOYSA-N 431.246 4.024 5 20 IIBD O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2O)CC1 436773610 SRJSCFASFBHIRX-UHFFFAOYSA-N 438.267 4.098 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1O)N(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 436864646 OUOZDCNUDZKHDR-NRFANRHFSA-N 446.507 4.002 5 20 IIBD CN(Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2O)CC1 436927586 SLZCMQRDHOZECP-UHFFFAOYSA-N 437.418 4.056 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1 439549536 ZVZZMPSAYQBTKB-UHFFFAOYSA-N 437.496 4.056 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCC([C@@H]2CCCO2)CC1 439891880 QNOICVZNRBODRP-KRWDZBQOSA-N 439.299 4.119 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N1CCOc2c(Br)cccc21 441517320 ZITUXTXWFSSNFO-UHFFFAOYSA-N 448.092 4.221 5 20 IIBD CCCOc1cc(NC(=O)C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c([N+](=O)[O-])cc1OCCC 442376074 MUTVJGBVJPMBMU-YESZJQIVSA-N 447.532 4.196 5 20 IIBD CN(C)C(=O)c1cc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)ccc1F 444233481 FDZYTWSLZARKIG-UHFFFAOYSA-N 439.393 4.053 5 20 IIBD CCN(Cc1ccc(OC)cc1OC)C(=O)c1sc(Br)cc1[N+](=O)[O-] 445254060 OTUQNJLJJYURSA-UHFFFAOYSA-N 429.292 4.098 5 20 IIBD COc1cc(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)cc([N+](=O)[O-])c1OC 461186620 OGIGWBCFIYYWNX-UHFFFAOYSA-N 438.402 4.483 5 20 IIBD O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CC2(CCC2(F)F)C1 461275966 BAXAMERTBXZCIW-UHFFFAOYSA-N 433.377 4.088 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CC[C@@H](CN3CCCCC3)C2)cc1[N+](=O)[O-])c1ccccn1 461439164 PGBGZGGGLCVQGH-MOPGFXCFSA-N 437.544 4.111 5 20 IIBD Cc1ccc(-c2nnc(N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)n2C[C@@H]2CCOC2)s1 461593076 FSAZUSUNZSHLMT-KRWDZBQOSA-N 439.541 4.429 5 20 IIBD Cc1cc(CNC(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1I 462037286 RODSUZVXONKRBE-UHFFFAOYSA-N 425.226 4.138 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C(=O)N2CCCC2)ccc1OC 462484482 SFENVMONOSJGRY-QGZVFWFLSA-N 425.485 4.047 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 463976385 MZGIGFHOXPMJHX-PMACEKPBSA-N 432.908 4.058 5 20 IIBD COc1ccc2c(c1)CCC[C@@H]2CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 464180677 CCLLGLHXZVSJEC-LJQANCHMSA-N 426.516 4.400 5 20 IIBD Cc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1NC(=O)CCN(C)C 466278895 ZGKSVHYGDGRBAS-UHFFFAOYSA-N 426.498 4.260 5 20 IIBD CCc1cc(N(C)Cc2nc([C@H](C)OCC(C)C)no2)nc(-c2ccc([N+](=O)[O-])cc2)n1 467005208 JBTZWTJPLOEUGS-HNNXBMFYSA-N 440.504 4.367 5 20 IIBD Cc1ccc(CN(Cc2cccs2)C(=O)c2c([N+](=O)[O-])cnn2C)c(Br)c1 467803225 OHROQZLKQYZEFD-UHFFFAOYSA-N 449.330 4.303 5 20 IIBD CC(C)Oc1ccc(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)c(C(F)(F)F)c1 468708644 FZGQYTFAERVVEU-UHFFFAOYSA-N 432.420 4.416 5 20 IIBD C[C@@H]1CN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C[C@@H](C2CC2)O1 470907400 SLRAQGMEXBKUCZ-PUCZYUMASA-N 429.904 4.427 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C 475548098 LVUFNYMFZUTTFV-UHFFFAOYSA-N 435.278 4.043 5 20 IIBD COc1ccc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(OCC(C)C)c1 475969461 WNGUPCKLLONIIX-UHFFFAOYSA-N 428.485 4.322 5 20 IIBD C[C@H]1CCCCN1CCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 478610643 WLTVFXJSZXUCOW-HNNXBMFYSA-N 438.366 4.474 5 20 IIBD CC(C)n1ncc2c(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])cc(C3CC3)nc21 479342708 LQBPRICMDIBDNF-UHFFFAOYSA-N 427.892 4.424 5 20 IIBD Cn1cc(CNc2ccc3c(c2)CCC(=O)N3CC2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 479617129 UTFANTLWABRWIU-UHFFFAOYSA-N 431.496 4.297 5 20 IIBD O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 479665204 KKHIKLIMVQMAMF-UHFFFAOYSA-N 442.357 4.237 5 20 IIBD Cc1cc(NC(=O)c2cnc(O)c([N+](=O)[O-])c2)n(-c2cc(C(F)(F)F)ccc2Cl)n1 484532467 WPBFVNYJFFRWRH-UHFFFAOYSA-N 441.753 4.114 5 20 IIBD C[C@H](c1cccnc1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC1 486769412 JPSWDJTXWHQKCY-LJQANCHMSA-N 445.523 4.121 5 20 IIBD O=C(CSCc1ccc(Cl)cc1Cl)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 487014366 DXXPHVFBBKAIDJ-UHFFFAOYSA-N 429.329 4.195 5 20 IIBD CCNC(=O)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CCC1 489406887 VNIFZTDOAHFAQN-UHFFFAOYSA-N 447.944 4.436 5 20 IIBD O=C(NC[C@H](Cc1ccccc1)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 494241296 KTSZLWQBCZRDCZ-SFHVURJKSA-N 437.883 4.329 5 20 IIBD CC(=O)CCc1ccc(O[C@@H](C)C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 498133351 AYFJKXHAOIVWIY-AOMKIAJQSA-N 428.510 4.158 5 20 IIBD C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)C1CC1 502847139 RJWZEJPQIDKMHE-GFCCVEGCSA-N 449.385 4.274 5 20 IIBD Cc1c(C(=O)N[C@@H](C)Cc2ccc(Cl)cc2Cl)nnn1-c1cccc([N+](=O)[O-])c1 504869477 MRWOIXQSXSUGEY-NSHDSACASA-N 434.283 4.152 5 20 IIBD COc1cc(CCNC(=O)c2c(Br)sc(C)c2C)c([N+](=O)[O-])cc1OC 507664820 WUDGNSFLSYJEKR-UHFFFAOYSA-N 443.319 4.025 5 20 IIBD Cc1ccccc1-c1nnc(N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1C 507985819 MPRRYGUULUGAFP-UHFFFAOYSA-N 446.433 4.044 5 20 IIBD CC[C@@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1cccc(Cl)c1 508749249 UYAXPAKITKEMFG-OAHLLOKOSA-N 431.905 4.409 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cc(F)c(Br)cc2F)cc([N+](=O)[O-])c1 510145082 DJNDBJNABKRKPX-UHFFFAOYSA-N 429.173 4.065 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)cc1 510456446 DXMUHLQTPGPUMQ-ZWKOTPCHSA-N 428.432 4.369 5 20 IIBD Cc1ccc(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c(OCC(F)(F)F)c1 511033600 VHOXUMDJJAETDB-UHFFFAOYSA-N 438.406 4.198 5 20 IIBD NC(=O)c1ccc(SCC(=O)N(Cc2ccccc2Cl)C2CCCC2)c([N+](=O)[O-])c1 511958057 RYDATVMBLRYIEH-UHFFFAOYSA-N 447.944 4.411 5 20 IIBD COc1ccc2[nH]cc(C3CCN(Cc4cc(OC)c(OC)cc4[N+](=O)[O-])CC3)c2c1 511991832 SBNMTKXUBJGXAC-UHFFFAOYSA-N 425.485 4.482 5 20 IIBD COc1cc(C(=O)N(C)c2nc3ccccc3o2)c([N+](=O)[O-])cc1OCc1cscn1 512657753 ICWXAYQCVQCQNS-UHFFFAOYSA-N 440.437 4.057 5 20 IIBD CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)s1 513045438 DYBWDUCFFRBKMG-STQMWFEESA-N 445.570 4.490 5 20 IIBD C[C@@H](Oc1ccccc1NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccccc1 513480384 BHNOUVOJWOSQBA-OAHLLOKOSA-N 440.477 4.391 5 20 IIBD C[C@H](NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)c1ccc(Oc2cccnc2)cc1 514180004 UTQNNPMNYCYZGM-INIZCTEOSA-N 434.452 4.316 5 20 IIBD O=C(NCCc1ccccc1)c1ccccc1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 515444083 BTPKBQQQYYRQHK-UHFFFAOYSA-N 443.463 4.229 5 20 IIBD COc1ccccc1OCC(=O)Nc1cccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1 518792125 ZKZVHJBJKFHZAO-UHFFFAOYSA-N 439.399 4.012 5 20 IIBD Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)cc1 520245127 OLGKNOFZQDDGAG-UHFFFAOYSA-N 447.451 4.146 5 20 IIBD Cc1ccccc1[C@H]1CCCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 521765735 ZABBRLGXNBBFGC-QGZVFWFLSA-N 425.304 4.192 5 20 IIBD Cc1cc(F)ccc1N1CCC[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 522676859 UTFIHLCYUNMWTR-IBGZPJMESA-N 426.492 4.041 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1CNC(=O)Nc1ccccc1 523243370 GJHWJVFOQRFDQO-VQIMIIECSA-N 442.541 4.278 5 20 IIBD O=C(CNC(=O)c1ccc(F)c(F)c1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 524224636 KFYKYPGEFOTLLJ-UHFFFAOYSA-N 427.363 4.034 5 20 IIBD O=C(NC1(c2cccc(Cl)c2)CC1)c1ccc([N+](=O)[O-])cc1I 524842904 MEJQWIMOBVDGNN-UHFFFAOYSA-N 442.640 4.272 5 20 IIBD O=C(NC[C@H](CO)Cc1ccco1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 535717253 FXZBEGOOCUGBHH-OAHLLOKOSA-N 443.887 4.034 5 20 IIBD CCN1CC[C@H](N(C)Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C[C@H]1C 536660911 HXHWPOKRFUCUNY-GCJKJVERSA-N 427.545 4.487 5 20 IIBD COc1cc(OC)c(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cc1OC 538255691 ILCYNVGOTLUQJG-UHFFFAOYSA-N 429.454 4.021 5 20 IIBD O=C(N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 540544529 UIIMUKPDSMNCQO-SJLPKXTDSA-N 431.420 4.257 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCO[C@@H](Cc3ccccc3)C2)cc1[N+](=O)[O-])c1ccccn1 540684080 KHIZMAMGSNXNOP-NQIIRXRSSA-N 446.507 4.247 5 20 IIBD CC[C@H](C)NC(=O)c1cccc(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1 541397814 CTGPEWWBQJTFGD-ZDUSSCGKSA-N 435.933 4.185 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 542034068 ZKIZZWGOZQXTOY-QGZVFWFLSA-N 439.438 4.180 5 20 IIBD COc1cc(Cc2noc(-c3ccc(OC)c([N+](=O)[O-])c3)n2)ccc1OCC(F)(F)F 544312669 KKTRMOXECSTOLV-UHFFFAOYSA-N 439.346 4.194 5 20 IIBD Cc1cc(N2C[C@@H](c3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC2=O)ccc1Br 546967531 FILRCACOVMUEGQ-ZDUSSCGKSA-N 443.257 4.236 5 20 IIBD CC(=O)c1sc(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)nc1-c1ccccc1 548604228 PGTNYSOSOSCXGM-UHFFFAOYSA-N 434.433 4.427 5 20 IIBD COc1ccc(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1OCC(F)(F)F 549194365 YJODUSFURNKVHN-UHFFFAOYSA-N 427.379 4.251 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)c2ccccc2)CC1 550197900 OLXZRKZDLRGHDS-UHFFFAOYSA-N 431.286 4.401 5 20 IIBD O=C(NCc1nc(-c2cccc(Cl)c2)no1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 550798905 OWNHRRYRSDPWMX-UHFFFAOYSA-N 426.738 4.247 5 20 IIBD COc1ccc([C@H](CN[C@@H](c2cccc([N+](=O)[O-])c2)c2nccn2C)N2CCCCC2)cc1 552225196 DANWAHMEIWRJAT-ZEQRLZLVSA-N 449.555 4.243 5 20 IIBD Cc1ccc(NC(=O)NCc2cccc(-c3nc(CC(F)(F)F)no3)c2)cc1[N+](=O)[O-] 554920433 UXZSGVRNCJRXBX-UHFFFAOYSA-N 435.362 4.380 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(OCc2ccccc2OC)CC1 558875329 PEGDJFWJJBEODJ-UHFFFAOYSA-N 437.500 4.067 5 20 IIBD O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 561181470 CEEWTHOFPWFJMZ-BHIFYINESA-N 429.476 4.302 5 20 IIBD CNC(=O)c1cc(Oc2ccc(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)cc2F)ccn1 579182369 UQEAKWGFHRVBHA-UHFFFAOYSA-N 449.398 4.014 5 20 IIBD O=[N+]([O-])c1cc(Br)cnc1N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 584676555 LZNDWSGVOXOTJZ-CQSZACIVSA-N 448.195 4.229 5 20 IIBD COc1cc(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)c([N+](=O)[O-])cc1OC 602226438 CGTQAEXRRRJURG-UHFFFAOYSA-N 435.408 4.190 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1 603501594 STXSGLMBVKDFHD-MRXNPFEDSA-N 431.514 4.027 5 20 IIBD Cc1cc(C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2C(F)(F)F)ccc1[N+](=O)[O-] 603762097 SWBRSICDWVFVFE-QGZVFWFLSA-N 437.374 4.292 5 20 IIBD CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCOc1ccccc1[N+](=O)[O-] 603951109 ALRNJIMSEUYSOC-UHFFFAOYSA-N 440.283 4.158 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1 603983287 VUZLGHKRSSAQTF-UHFFFAOYSA-N 442.428 4.087 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 604470584 RLSJGZJBJLQBQD-UKILVPOCSA-N 443.503 4.391 5 20 IIBD Cc1ccccc1-c1cc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)n(CCO)n1 608944298 VHIPZKAFCJOXSB-UHFFFAOYSA-N 449.492 4.135 5 20 IIBD COc1cccc(C(=O)NCCNc2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])c1 608972491 PBKDDHJDBOEWSC-UHFFFAOYSA-N 448.479 4.006 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N(C)[C@H]3CCCN(c4ccccc4)C3)cc2)c(C)c1[N+](=O)[O-] 609647294 GAOHWAAJVZDRSI-QHCPKHFHSA-N 447.539 4.197 5 20 IIBD Cc1cccc([C@@H]2CCCCCN2C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 609796832 MRJXDLHIJIOGHJ-SFHVURJKSA-N 429.904 4.430 5 20 IIBD COC[C@@H](C)N(C)C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 609815744 ABUDCHDNDKRWAI-GFCCVEGCSA-N 425.844 4.356 5 20 IIBD CO[C@@H](c1ccc(Cl)cc1)[C@H](C)Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] 609894577 ICNYGBDCQVVJEQ-RNODOKPDSA-N 428.876 4.401 5 20 IIBD COC[C@@H](C)n1c(C)cc(C(=O)COc2ccc(Br)cc2[N+](=O)[O-])c1C 610219193 KONCMFDMWVHAEC-GFCCVEGCSA-N 425.279 4.245 5 20 IIBD COC(=O)C[C@@H](C)NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 610917733 RDVNPKITSGWXGB-LLVKDONJSA-N 431.495 4.037 5 20 IIBD COC(=O)c1sc2ccccc2c1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F 613019781 ZOWZHMSPGILRMO-UHFFFAOYSA-N 430.457 4.329 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@@H](Oc2cccc(F)c2)C1 618833001 ZKUFXSPWLMGUGD-QGZVFWFLSA-N 427.354 4.116 5 20 IIBD C[C@H]1CN(c2ccccc2F)CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 682802434 SCQHVJXSZRGLAH-SFHVURJKSA-N 429.495 4.031 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 725818439 MAZIBWAGVYWKTB-GFCCVEGCSA-N 437.930 4.426 5 20 IIBD CC(C)C[C@H](C)N(C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc2[nH]ccc2c1 726915150 IQDBOFWVVWCHDU-HNNXBMFYSA-N 436.468 4.452 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 731464337 GYPAKTOAAQCSDH-UHFFFAOYSA-N 444.806 4.052 5 20 IIBD Cc1ccccc1[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1I)C1CC1 732745741 VUIFAHGJWYWXMG-QGZVFWFLSA-N 436.249 4.389 5 20 IIBD CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H](c1cccnc1)c1ccc(F)cc1F 732962717 DVNNNSPMOVPCBW-FQEVSTJZSA-N 442.378 4.428 5 20 IIBD O=C(Nc1ccccc1)c1cccc(COC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)c1 735352032 HMQUKLXGXQTLNM-UHFFFAOYSA-N 443.415 4.458 5 20 IIBD COc1cc(Br)c(COC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1OC 736866733 NMGNEKUJDVXRRX-UHFFFAOYSA-N 430.638 4.385 5 20 IIBD O=[N+]([O-])c1cccc(/C(O)=C(/C(=S)N[C@H]2C[C@H]3CC[C@H]2C3)[n+]2cc(O)cc(Cl)c2)c1 738012202 HPNOSPKNGGRJDY-LXIYXOSZSA-O 446.936 4.231 5 20 IIBD C[C@@H](OC(=O)c1cc(OCc2ccccc2)ccc1O)C(=O)Nc1ccccc1[N+](=O)[O-] 738728818 OTICKWWWAPSBCO-OAHLLOKOSA-N 436.420 4.063 5 20 IIBD C[C@H](OC(=O)c1ccc(N)c(Cl)c1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 738862738 VPEKGVIMDZAGPL-JTQLQIEISA-N 446.872 4.138 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 740238788 YESMQKKQBSYOLS-QGZVFWFLSA-N 443.868 4.334 5 20 IIBD C[C@@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1nc(Cc2ccccc2)no1 741820015 JLLZMPMOAKWAPI-LLVKDONJSA-N 432.230 4.249 5 20 IIBD CC(C)(C)c1ncc(/C=C\C(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)s1 744089748 ZZLIOUSFZGIFGS-SREVYHEPSA-N 430.530 4.217 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3cc(C)cc([N+](=O)[O-])c3)CC2)ccc1[N+](=O)[O-] 744204966 VWTZBXDNQNRQLI-UHFFFAOYSA-N 429.429 4.036 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)C2(c3ccccc3Cl)CCOCC2)cccc1[N+](=O)[O-] 744987746 PIJGBNDPBXFBSJ-HNNXBMFYSA-N 446.887 4.175 5 20 IIBD Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 745440398 HBKWDBQWYKYFFU-AWEZNQCLSA-N 442.859 4.235 5 20 IIBD C[C@H](OC(=O)[C@@H]1C[C@]12CCCc1ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 745715848 HGGOKXRWCPUSDR-SRMJIJMDSA-N 428.872 4.413 5 20 IIBD C[C@@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCc1ccc(Cl)cc1 747961002 BPOXWRTYKSMOSX-GFCCVEGCSA-N 445.884 4.233 5 20 IIBD O=C1/C(=C/C=C\c2ccccc2[N+](=O)[O-])NC(=S)N1c1ccc(OC(F)(F)F)cc1 747978085 YTUQNQPJGNUHOD-VUUBKFHSSA-N 435.383 4.312 5 20 IIBD CC(=O)N(c1nc(COC(=O)Cc2cccc([N+](=O)[O-])c2C)cs1)c1ccccc1F 748473342 CRFVTCPBUYQAEM-UHFFFAOYSA-N 443.456 4.469 5 20 IIBD COc1ccc(CN(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cc1F 749410945 RKRFATFPAPOFLY-UHFFFAOYSA-N 431.645 4.431 5 20 IIBD CC(C)(C)c1ccccc1NC(=O)COC(=O)c1ccc(Br)cc1[N+](=O)[O-] 750963144 CBXQAOWCOKBBSP-UHFFFAOYSA-N 435.274 4.450 5 20 IIBD Cc1ccc(S(=O)(=O)c2ccc(COC(=O)c3c(F)ccc([N+](=O)[O-])c3F)cc2)cc1 752561435 IAEQJRPOZDIOAH-UHFFFAOYSA-N 447.415 4.371 5 20 IIBD Cc1noc(C)c1CCOC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 756147117 USSCCHMYINOZSR-UHFFFAOYSA-N 428.828 4.484 5 20 IIBD O=C(NCc1cccc(NC(=O)c2ccccc2)c1)NCc1cc([N+](=O)[O-])ccc1Cl 756923126 YDKKSYSZPATDDD-UHFFFAOYSA-N 438.871 4.500 5 20 IIBD O=C(COC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H](c1ccccc1)c1cccs1 758737502 RPJDPUYRHKXZJJ-HSZRJFAPSA-N 449.488 4.129 5 20 IIBD CC(=O)N(c1nc(COC(=O)c2cccc([N+](=O)[O-])c2N)cs1)c1ccc(C)cc1C 758956031 SQHVYFPJMSHJBV-UHFFFAOYSA-N 440.481 4.292 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1 759789098 DUNWXFQCLCSVCS-KRWDZBQOSA-N 425.445 4.066 5 20 IIBD COc1ccc(Cl)cc1NCCC(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760522125 LHTJKGZLZLZHTQ-UHFFFAOYSA-N 431.832 4.457 5 20 IIBD CC(C)C[C@@H](OC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccccn1 761376639 QQAWXSSXABCZEE-QGZVFWFLSA-N 427.486 4.214 5 20 IIBD O=C(Nc1ccccc1C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]12)c1ccc([N+](=O)[O-])cc1Cl 761412110 GZHLGQRITSAFKC-QKYXUNIQSA-N 443.887 4.188 5 20 IIBD C[C@H](OC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C 762762815 RVXCGAOYCBNRNL-LBPRGKRZSA-N 433.844 4.366 5 20 IIBD O=C(O[C@@H]1CCO[C@@H]([C@H]2CCOC2)C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 763109237 HDQLCSJISTYETE-YRISNDGFSA-N 429.494 4.487 5 20 IIBD Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 765317606 QMUXBKJTVSFTNM-LBPRGKRZSA-N 427.686 4.328 5 20 IIBD CNc1c(C(=O)OCc2csc(-c3ccc(OC)cc3OC)n2)cccc1[N+](=O)[O-] 765513271 BNEKWELPTIBFFU-UHFFFAOYSA-N 429.454 4.134 5 20 IIBD COc1cc(COC(=O)c2cccnc2SCc2c(C)noc2C)c([N+](=O)[O-])cc1F 766175500 SWQXTUBQRUDSBS-UHFFFAOYSA-N 447.444 4.392 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 767195778 RGLDXTRIQMWRHM-OAHLLOKOSA-N 430.386 4.429 5 20 IIBD CC(C)Cn1ncc(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1C1CC1 768651599 RYXPRNTULYBHIP-LBPRGKRZSA-N 434.880 4.162 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccnc1Br 770274842 JLOFRECGSHKLAV-UHFFFAOYSA-N 448.199 4.005 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)c(C)c2)cc([N+](=O)[O-])c1 772146418 QMZCNRYBUZAJEH-UHFFFAOYSA-N 429.429 4.289 5 20 IIBD CC(C)c1ccc(-c2ncc(CS(=O)(=O)C[C@H](O)c3ccc([N+](=O)[O-])cc3)s2)cc1 776263264 QBIIODWTSSMSFV-FQEVSTJZSA-N 446.550 4.490 5 20 IIBD CCOC(=O)C[C@H](c1ccccc1)C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 776586575 GDSPEIGXIDFAHV-DHIUTWEWSA-N 426.513 4.077 5 20 IIBD C[C@H](OC(=O)[C@H](F)Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 778202908 QJZFWJKQRQVWQN-XHDPSFHLSA-N 428.338 4.065 5 20 IIBD CC[C@H](C)n1ncc2c(C(=O)O[C@H]3CCN(c4ccc([N+](=O)[O-])cc4F)C3)cc(C)nc21 778811293 QOBVBXXGJRTKMH-HOCLYGCPSA-N 441.463 4.194 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)[C@H]1CCCN(c2ncnc3sccc23)C1 778813090 VPEGRQHWKMARIR-CABCVRRESA-N 426.498 4.429 5 20 IIBD O=[N+]([O-])c1ccc(I)c(OCc2csc(-c3ccccn3)n2)c1 780353921 MGGLVUDWNWBNDU-UHFFFAOYSA-N 439.234 4.297 5 20 IIBD COC(=O)c1ccc(F)c(COC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 781258130 PGMSBUFDMRYAFA-UHFFFAOYSA-N 441.361 4.242 5 20 IIBD COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] 783699903 XBYJNWMENPLIKH-LIRRHRJNSA-N 430.457 4.474 5 20 IIBD Cc1ccc(CC(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1Br 784500983 OJYMPOYHKDCRBS-UHFFFAOYSA-N 448.317 4.063 5 20 IIBD Cc1nn(Cc2ccc(C(=O)O[C@H](C)c3noc(-c4ccccc4)n3)cc2)c(C)c1[N+](=O)[O-] 784654611 ZKGPNUHTVBQCQK-MRXNPFEDSA-N 447.451 4.424 5 20 IIBD Cc1cnc([C@H](C)OC(=O)c2ccc(C(=O)O[C@H](C)c3ncc(C)o3)cc2[N+](=O)[O-])o1 785312508 YSOFNVHLNSIPDX-OLZOCXBDSA-N 429.385 4.024 5 20 IIBD C[C@@H](CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Oc1ccccc1Br 790558793 VQGMTYYBDHCJLW-JTQLQIEISA-N 445.672 4.276 5 20 IIBD CC[C@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C 790904946 LRNQJXSSXFDHEW-LRDDRELGSA-N 443.903 4.082 5 20 IIBD O=C(CN[C@H](c1ccccc1)[C@@H](O)c1ccccc1)Nc1cc(Cl)ccc1[N+](=O)[O-] 794687617 FCURZYINUIXIJL-YADHBBJMSA-N 425.872 4.251 5 20 IIBD COc1ccccc1Nc1nn(CN(C)CCc2ccccc2[N+](=O)[O-])c(=S)s1 795645639 UVBALTSVILVRGU-UHFFFAOYSA-N 431.543 4.466 5 20 IIBD CCCN(C(=O)Cc1csc(NC(=O)Cc2cccs2)n1)c1cccc([N+](=O)[O-])c1 799411183 KBOIAYNYUJMMEO-UHFFFAOYSA-N 444.538 4.280 5 20 IIBD CC[C@@](O)(C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(Cl)c1 800320034 QAGJVZODWOCHRS-ODXCJYRJSA-N 431.832 4.200 5 20 IIBD Cc1ccccc1-n1c(C)nn(CNNc2cc([N+](=O)[O-])ccc2Br)c1=S 802741996 XLCYEHAPLBRBFT-UHFFFAOYSA-N 449.334 4.265 5 20 IIBD COc1ccc(CSCC(=O)O[C@H](C)c2nccn2-c2ccccc2)cc1[N+](=O)[O-] 803067796 DPKLUCJDCYXHRF-OAHLLOKOSA-N 427.482 4.327 5 20 IIBD CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1 803306959 VPIXHZFUASZJJU-UGSOOPFHSA-N 436.917 4.404 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)CC(F)(F)Br)cc1 807866754 DWDCTAFBJMVFIM-UHFFFAOYSA-N 445.216 4.455 5 20 IIBD COc1cc(Cl)c(NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1C 808126320 LWRBGSNWYINQHH-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)OCc2nc3ccc(Br)cc3o2)cc1[N+](=O)[O-] 812579451 CDMAWOYYGYLDGG-UHFFFAOYSA-N 436.174 4.072 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 813291551 SPEYVXZPCNTALF-UHFFFAOYSA-N 439.921 4.093 5 20 IIBD C[C@@H](OC(=O)Cc1c[nH]c2cccc(Cl)c12)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 814527378 RBYTVXROMURNAA-SNVBAGLBSA-N 436.251 4.496 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CC(Cc2cccc(C(F)(F)F)c2)C1 816870961 VLFMJHYZXIPVKB-UHFFFAOYSA-N 437.374 4.156 5 20 IIBD C[C@H](NC(=O)COC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl 842052469 WSMZWFQMINJAJC-LBPRGKRZSA-N 440.283 4.124 5 20 IIBD C[C@H](OC(=O)c1ccc(O)c(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 848951257 XUIJEVLXSLXNLG-QMMMGPOBSA-N 432.738 4.157 5 20 IIBD O=C(Nc1ccc2c(c1)OCO2)c1ccccc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 902930361 VCWFGDPJEIWFTL-UHFFFAOYSA-N 439.811 4.482 5 20 IIBD O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C/c1cc(Br)ccc1OC(F)F 912754620 OUKZUQGPXZLVEK-MDWZMJQESA-N 439.168 4.303 5 20 IIBD COc1ccc(CSCC(=O)OCc2noc(-c3ccc(Cl)cc3)n2)cc1[N+](=O)[O-] 914802726 CLVXDFXRIKOPQM-UHFFFAOYSA-N 449.872 4.283 5 20 IIBD C[C@@H](OC(=O)CCOc1ccccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 914970308 UQKBSIXHOGRCFH-LLVKDONJSA-N 427.240 4.241 5 20 IIBD Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3csc([N+](=O)[O-])c3)cc2)cc1 916034993 UOAOJYLAFCURKK-UHFFFAOYSA-N 432.479 4.009 5 20 IIBD CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(C(C)C)c([N+](=O)[O-])c2)NC(=S)N1 916192122 VTNXKVLLNILAOJ-HXUWFJFHSA-N 425.510 4.254 5 20 IIBD CCN(C(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 916505749 BUWDICSSDDBPBQ-UHFFFAOYSA-N 434.408 4.422 5 20 IIBD C[C@@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 917700631 MOBVPJLJFMQPKL-LLVKDONJSA-N 426.351 4.201 5 20 IIBD O=C(COc1ccccc1C(=O)OCc1cc(F)ccc1[N+](=O)[O-])Nc1ccccc1F 918811575 VBWRCTCWBOZMKN-UHFFFAOYSA-N 442.374 4.248 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 919868989 CEOLPHAOVGPCCK-UHFFFAOYSA-N 442.493 4.213 5 20 IIBD O=C(NCCOC(=O)C1(c2ccccc2F)CCCC1)c1ccc([N+](=O)[O-])cc1Cl 920148225 OHKMPQMHEFQQAQ-UHFFFAOYSA-N 434.851 4.172 5 20 IIBD Cc1cccc(CN2CCCC[C@@H]2C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 1329253767 SWZKQXBRFXPSTN-HXUWFJFHSA-N 436.468 4.051 5 20 IIBD COc1ccc(NC(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)c([N+](=O)[O-])c1 1345368705 DIPSMJPBCIQGKL-CYBMUJFWSA-N 449.305 4.014 5 20 IIBD Cc1ccc(CN2CCN(Cc3nnc(-c4cc5cc([N+](=O)[O-])ccc5s4)o3)CC2)cc1 1345995385 GBTIGLPPDFROOV-UHFFFAOYSA-N 449.536 4.486 5 20 IIBD COc1cscc1C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1 1788826523 OLGPJQPAMPAAAP-UHFFFAOYSA-N 441.465 4.319 5 20 IIBD Cc1c(Cl)cccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc([N+](=O)[O-])c1 1800520635 MLXYYENBMCZCRQ-BJWYYQGGSA-N 445.878 4.261 5 20 IIBD O=C(CCC1CCC1)Nc1cc([C@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)[nH]n1 1815045730 CEBHAPDDGCGGPZ-HXUWFJFHSA-N 439.516 4.133 5 20 IIBD C/C=C/C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[nH]n1 1821886727 NQMXNIBAAQEXAR-OUGHUQCRSA-N 439.497 4.415 5 20 IIBD Cc1csc(C(=O)N2CC3(CCCN3C(=O)c3cc(Cl)cc([N+](=O)[O-])c3C)C2)c1 1845498742 NNESZVMIMZZCIX-UHFFFAOYSA-N 433.917 4.057 5 20 IIBD CSc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3cc(C)on3)c2C)cc1[N+](=O)[O-] 9622111 QXHARBJGKGUKCA-UHFFFAOYSA-N 429.454 4.060 5 20 IIBD Cn1c(SCC(=O)c2ccc(N3CCCC3=O)cc2)nc2cc3ccccc3cc2c1=O 10670341 AYEZTXWWFQWOTC-UHFFFAOYSA-N 443.528 4.189 5 20 IIBD CN(C(=O)COC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1ccc([N+](=O)[O-])cc1 11072143 UDUFBEIUPYMKEI-UHFFFAOYSA-N 445.884 4.120 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 16099631 YVQOCYPFHMYVEK-UHFFFAOYSA-N 444.309 4.442 5 20 IIBD NC(=O)c1ccc(COC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c([N+](=O)[O-])c1 16817209 BMSNDSCJUHZVQC-UHFFFAOYSA-N 436.264 4.088 5 20 IIBD Cc1ccc(-c2nc(CC(=O)O[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)cs2)cc1 17205374 RMJBKFOEQXPBTF-CQSZACIVSA-N 425.466 4.140 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1sccc1-c1ccc(C)cc1 17897810 MMSCWSBWDXQZMA-UHFFFAOYSA-N 426.450 4.436 5 20 IIBD NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c1 23009002 YGRFOROYUSNZRJ-UHFFFAOYSA-N 445.479 4.290 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N=c3ccccn3Cc3ccccc3)cc2)c(C)c1[N+](=O)[O-] 23611024 RKBVVAXMIGGPQS-UHFFFAOYSA-N 441.491 4.047 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1 59826984 JENSKINIKCLWGF-UHFFFAOYSA-N 437.429 4.444 5 20 IIBD Cn1ccnc1[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(F)cc1 64897961 LIOLELMDNGFZNZ-GOSISDBHSA-N 437.456 4.110 5 20 IIBD COc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1OCc1cccnc1 106103844 YWQAJHXHXPRDSL-UHFFFAOYSA-N 448.479 4.430 5 20 IIBD COc1ccc(CNC2(c3noc(C)n3)CCCC2)cc1OCc1ccc([N+](=O)[O-])cc1 237348180 NHRURRVHJCEVEY-UHFFFAOYSA-N 438.484 4.433 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N1CCC(OC2CCCCC2)CC1 301129421 WYDAEVZDMAIODH-UHFFFAOYSA-N 436.452 4.206 5 20 IIBD O=[N+]([O-])c1cc(Br)cnc1NCc1ccc(N2CCc3ccccc3C2)nc1 301690147 NESOIYJZMKJIQU-UHFFFAOYSA-N 440.301 4.322 5 20 IIBD Cc1ccc(Oc2ccc(Br)cc2[N+](=O)[O-])c(I)n1 301845350 MEBJJFJNAJBEIR-UHFFFAOYSA-N 435.015 4.458 5 20 IIBD CCCc1[nH]nc(C(=O)N[C@@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)c1[N+](=O)[O-] 303475779 NTNVSLJKEQBDAU-AWEZNQCLSA-N 436.472 4.405 5 20 IIBD O=[N+]([O-])c1ccc(N[C@H]2CCN(c3ccnc4c(Br)ccc(F)c34)C2)nc1 409731924 LQQOOFDCKQVHQE-NSHDSACASA-N 432.253 4.130 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)Cc1noc(C(C)(C)c2ccccc2[N+](=O)[O-])n1 426439889 KYAKPKZUZNCBTO-UHFFFAOYSA-N 444.875 4.455 5 20 IIBD O=C(O)C[C@@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cnn(-c2ccccc2)c1 426759960 PHFMIVIVJUZDLA-OAQYLSRUSA-N 432.436 4.346 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 427853806 HWPGXKQXUWLONS-UHFFFAOYSA-N 436.173 4.175 5 20 IIBD CS(=O)(=O)c1ccc(CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])cc1Cl 428679771 KAPIKOOSCLIDNU-UHFFFAOYSA-N 444.896 4.495 5 20 IIBD O=C(O)C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 431807777 AFHJKHBIKMEWRM-ZDUSSCGKSA-N 429.281 4.326 5 20 IIBD CN1C(=O)c2cc(Br)ccc2N[C@H]1c1cc([N+](=O)[O-])ccc1OC(F)F 433389426 XDYFAKMISQETGQ-CQSZACIVSA-N 428.189 4.155 5 20 IIBD Cc1ccc(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)s1 435537238 WVLSABPDGOUZQK-UHFFFAOYSA-N 433.536 4.432 5 20 IIBD CCCNC(=O)c1cccc(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 436081275 PBFHWRIDCAKMQB-UHFFFAOYSA-N 449.457 4.029 5 20 IIBD COC(=O)CCOc1ccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1 436247777 OKEGJLFSHDUDDL-UHFFFAOYSA-N 434.423 4.015 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccc(-c2cncnc2)cc1 438763776 IHIXTSQEHXCBSB-UHFFFAOYSA-N 425.253 4.159 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@H](OC1CCOCC1)c1ccccc1 439883437 UERVUVMXHSRDNB-AOMKIAJQSA-N 443.500 4.440 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCC(OCC2CC2)CC1 440593636 GKGRIHYFCADXAP-UHFFFAOYSA-N 439.299 4.119 5 20 IIBD Cc1cc(NC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)ccc1OCC(F)(F)F 440976725 IIZIEHGGUNWBFW-UHFFFAOYSA-N 425.363 4.038 5 20 IIBD COc1cc(Cc2noc(-c3ccc(OCc4ccccc4)nc3)n2)c([N+](=O)[O-])c(OC)c1 445819921 QYBOWBQTNJYMHK-UHFFFAOYSA-N 448.435 4.227 5 20 IIBD CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 446403091 RGEVXFCUASLFAC-AWEZNQCLSA-N 433.892 4.034 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N(C2CC2)[C@H]2CCc3ccccc32)c(Br)c1 447041130 NDZCWUZGFBOKNO-KRWDZBQOSA-N 437.315 4.198 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC(Oc2ncccc2F)CC1 447686915 AYSHLJJLYGDVFR-UHFFFAOYSA-N 447.264 4.487 5 20 IIBD CCC[C@@H](CCCS(C)(=O)=O)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 448199268 UWTDZKOGFYULMD-AWEZNQCLSA-N 439.559 4.206 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@@H](c2ccccc2Cl)OC[C@H]1C 460317689 PEROXCRXWYCDKR-KUHUBIRLSA-N 427.892 4.493 5 20 IIBD C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 460345909 IGTZJQOHSRQUTK-KZULUSFZSA-N 437.315 4.399 5 20 IIBD Cc1ccc(C(C)(C)CN(C)C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1 460530863 IVUKOOFXFDJSLM-UHFFFAOYSA-N 425.485 4.028 5 20 IIBD O=[N+]([O-])c1ccccc1CN(c1nnc(CC2CCCC2)n1C[C@@H]1CCOC1)C1CC1 461622673 YDVJGVLMRALOFC-SFHVURJKSA-N 425.533 4.125 5 20 IIBD COc1ccc(Br)cc1[C@H]1CCCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] 463496232 LHCIGTPICMHMNT-MRXNPFEDSA-N 448.317 4.166 5 20 IIBD CCOc1cc(C(=O)N[C@@H](CC)c2nc(C(F)(F)F)cs2)c([N+](=O)[O-])cc1OC 465262758 WYFPTXIXYMSNME-JTQLQIEISA-N 433.408 4.359 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cnc(-c2ccc(OC)c(OC)c2)s1 466500732 YIKMQYGAEMHSPR-UHFFFAOYSA-N 429.454 4.387 5 20 IIBD Cc1ccc(-c2nc(CNC(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)co2)cc1 466774649 IWAXMJXJOGDTSG-UHFFFAOYSA-N 436.468 4.311 5 20 IIBD C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 466898052 RIRLWTRSPTZSNZ-NSHDSACASA-N 441.296 4.127 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)C1(Cc2ccccc2F)CC1)c1ccccc1[N+](=O)[O-] 467852587 QEYKBLSKSSWABW-IBGZPJMESA-N 428.460 4.256 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1ccccc1Oc1cccc(C)c1 468755980 AEALFFVVIMCSAG-LJQANCHMSA-N 437.500 4.244 5 20 IIBD COc1cc(CNC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)c([N+](=O)[O-])cc1OC 469564841 FLDKFOUEDAAHDM-QGZVFWFLSA-N 427.423 4.023 5 20 IIBD O=C1CCC(=O)N1c1ccc(C(=O)N2CCCCC[C@H]2/C=C\c2ccccc2)cc1[N+](=O)[O-] 469576448 LNJGAUMHUVIIQB-ZZLBYYGFSA-N 447.491 4.346 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C(C)(C)C)c3ccccc32)cc1OC 470275269 WDNHFVHMDRYDOT-KRWDZBQOSA-N 428.485 4.419 5 20 IIBD C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1nc(C(F)(F)F)cs1 470580791 HIIGPGBISQSYKZ-SSDOTTSWSA-N 438.225 4.253 5 20 IIBD COc1cc(C(=O)NCc2nc(C)c(-c3ccc(Cl)cc3)o2)c([N+](=O)[O-])cc1OC 473594300 VDTWSMKOOYFUBR-UHFFFAOYSA-N 431.832 4.159 5 20 IIBD COc1c(C(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cccc1[N+](=O)[O-] 474906958 RFAPRHPACZKLHA-IBGZPJMESA-N 434.427 4.264 5 20 IIBD COC(=O)C[C@@](C)(NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccncc1 475086283 GSFORGZRIJQGRI-OAQYLSRUSA-N 429.860 4.471 5 20 IIBD C[C@H](NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)c1ncnn1C 475782186 QKHYVMABXBXIND-LUYJPIOASA-N 448.508 4.141 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)cc1[N+](=O)[O-] 478221084 BDKOYTWJTONVLN-WMLDXEAASA-N 441.488 4.080 5 20 IIBD O=c1c([N+](=O)[O-])cc(Br)cn1Cc1nc(-c2ccccc2Cl)cs1 479095831 DXYFOQGOHFLNND-UHFFFAOYSA-N 426.679 4.344 5 20 IIBD CCc1ccc([C@@H](NCc2ccc(S(=O)(=O)CC)s2)c2ccc([N+](=O)[O-])cc2)o1 479450549 WLXFMPNVXJRNDO-FQEVSTJZSA-N 434.539 4.485 5 20 IIBD CN(CCNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)CC(F)(F)F 482880781 MGIJOQINYXVMGF-UHFFFAOYSA-N 431.798 4.264 5 20 IIBD CC(C)c1cc(C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)no1 488611741 STJGLCVOIOOADR-UHFFFAOYSA-N 440.525 4.393 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@H]1CCOC2(CCCCC2)C1 489067738 GQXMPQUFLLZAPF-HNNXBMFYSA-N 429.439 4.414 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCOC2(CCC2)C1 489209128 UUQKSVATGCLQJD-HXUWFJFHSA-N 446.507 4.208 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCC[C@@H]1CCCc1ccccc1 489365664 XCWUMKLPUJDCQZ-IBGZPJMESA-N 437.496 4.297 5 20 IIBD COc1c(S(=O)(=O)N(C)c2cc(C)cc(C)c2)cc(Br)c(C)c1[N+](=O)[O-] 491592639 XLISAUSATZFHCS-UHFFFAOYSA-N 443.319 4.116 5 20 IIBD C[C@@H]1[C@@H](NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CCN1Cc1ccccc1 494061220 VCCXOFVCWYXOQZ-ZHRRBRCNSA-N 429.495 4.213 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)cc1OC 495389049 BQCORFWTMMXPOR-LLVKDONJSA-N 446.847 4.197 5 20 IIBD CSc1cccc(N2C[C@H](C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)CC2=O)c1 501990900 PCOSNEPUDFWAND-QGZVFWFLSA-N 427.526 4.107 5 20 IIBD CC(=O)N(c1ccc(Cl)cc1)c1nc(Cn2cc(Cl)cc([N+](=O)[O-])c2=O)cs1 502134949 GODZRQSGTZMNBA-UHFFFAOYSA-N 439.280 4.253 5 20 IIBD CSc1ccc(C(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)cc1[N+](=O)[O-] 505234155 TUOSLZFZFDIDDM-UHFFFAOYSA-N 434.477 4.167 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCN[C@H](c3cccc(F)c3)C2)cc1[N+](=O)[O-])c1ccccn1 505542016 DWEDONZYBBWRIL-ZHRRBRCNSA-N 449.486 4.089 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(NC(=O)NC2CCCCC2)CC1 505929520 DTOSIQCWBVXXEB-UHFFFAOYSA-N 448.589 4.333 5 20 IIBD COc1cc(CN(C)C2CCN(C(C)C)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 506378511 BSUVOUUDVLOMLQ-UHFFFAOYSA-N 427.545 4.487 5 20 IIBD O=C(Nc1ccccc1)c1ccc(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 506677818 HIWSTHXFTNTVTA-UHFFFAOYSA-N 445.479 4.201 5 20 IIBD COc1cc(C)ccc1NC(=O)c1cc([N+](=O)[O-])cc(I)c1C 509583764 NWSZTCPHUWIXHS-UHFFFAOYSA-N 426.210 4.077 5 20 IIBD Cc1ccc(NCCCNC(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])c1 511372567 JDOHZQFELKYLLF-RXVVDRJESA-N 426.517 4.172 5 20 IIBD C[C@H]1COCCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)C1 513972414 BYUAMPVWEQPARS-AUUYWEPGSA-N 448.317 4.005 5 20 IIBD CSc1ccc(C(=O)NCc2ccc(OCCOc3ccccc3)nc2)cc1[N+](=O)[O-] 515611378 ZYUJCFMGBFYLLF-UHFFFAOYSA-N 439.493 4.100 5 20 IIBD CN(Cc1cc(Br)ccc1F)C(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 517716301 KSLCDSLAOQEZSU-UHFFFAOYSA-N 434.221 4.022 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCc3cn4ccsc4n3)cc2[N+](=O)[O-])n1 519963480 RPWZVMJRVMSPJZ-UHFFFAOYSA-N 431.524 4.150 5 20 IIBD COc1cc(C(=O)Nc2cc(Br)ccc2F)c([N+](=O)[O-])cc1OC(F)F 520338469 GDPBWSWLDXVXSR-UHFFFAOYSA-N 435.152 4.359 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H](C)Cc2c(C)noc2C)cc1 523089263 QCDGMUDQYWZSFM-CYBMUJFWSA-N 425.441 4.362 5 20 IIBD C[C@@H](c1ccccn1)N(C)C(=O)c1ccc(C(=O)N(C)[C@H](C)c2ccccn2)cc1[N+](=O)[O-] 524352480 FAQZYNVKKHLRBF-SJORKVTESA-N 447.495 4.051 5 20 IIBD CCc1ccc([C@H](COC)NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 525565781 AECRVSMNJNYONV-ZDUSSCGKSA-N 432.420 4.365 5 20 IIBD C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 527261887 YPWBPFCHKNKNJE-SECBINFHSA-N 436.795 4.068 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](c2ccccc2Cl)OC[C@@H]1C 533304355 NEXCSJRXCZTXRF-XOBRGWDASA-N 433.892 4.047 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1cc(Cc2ccccc2)ccc1O 534704392 IGSHLSYAGZXXFF-UHFFFAOYSA-N 429.432 4.457 5 20 IIBD Cn1cc(CN(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 535784701 OXFZGQFYANVYAK-UHFFFAOYSA-N 445.523 4.052 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCOC[C@@H]2CC(=O)c2ccco2)cc1[N+](=O)[O-] 535911949 PIHBLBSOILWNLN-KRWDZBQOSA-N 446.525 4.440 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cccc3c2CN(c2nccs2)C3)cc([N+](=O)[O-])c1 536244496 NSLMBBFYHBTKER-UHFFFAOYSA-N 438.465 4.001 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cc(F)ccc2Sc2nccn2C)c1 537314178 JQXPMMLRSCZKKD-UHFFFAOYSA-N 430.461 4.335 5 20 IIBD CC(C)(C)[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1nc(-c2nc[nH]n2)no1 537326292 UOEHRCWPJRJWAR-INIZCTEOSA-N 439.501 4.368 5 20 IIBD C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCC1(c2ccccc2Cl)CCOCC1 537975477 RIXLKMLOYOCWSJ-INIZCTEOSA-N 431.920 4.303 5 20 IIBD C[C@@H]1C[C@H](N(C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 538733122 RXOZLZZGSFYJDY-NTKDMRAZSA-N 433.556 4.480 5 20 IIBD C[C@@H](C(=O)Nc1ccc(NC(=O)CCN2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1F 541604534 JTQHYPGMLBVEJW-MRXNPFEDSA-N 442.491 4.291 5 20 IIBD CCCN(C(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)[C@H](C)c1cc2ccccc2o1 542068893 UKZOVQVDRAVNJU-CQSZACIVSA-N 425.441 4.288 5 20 IIBD O=C1NCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]1c1ccccc1Cl 542482376 LUZFKKZXEDEZQI-SFHVURJKSA-N 428.901 4.045 5 20 IIBD C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 542527922 YPROMNLXHYOJDH-DYVFJYSZSA-N 437.422 4.213 5 20 IIBD C[C@H](O)C[C@@H](C)NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 543098863 ULJXBOKWLLHJRE-XNINAAHTSA-N 425.510 4.411 5 20 IIBD COC(=O)COc1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c2ccccc12 543457210 CWJIQHCPMLFPOV-CYBMUJFWSA-N 426.400 4.181 5 20 IIBD NC(=O)c1ccc(SCc2nc(Cc3c(Cl)cccc3Cl)no2)c([N+](=O)[O-])c1 546244652 VNIJLZRBLBXEIX-UHFFFAOYSA-N 439.280 4.267 5 20 IIBD Cc1ccc(-c2noc(Cc3csc(NC(=O)c4ccccc4F)n3)n2)cc1[N+](=O)[O-] 546987532 UFEVVUQIMQRICI-UHFFFAOYSA-N 439.428 4.392 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1OCC(=O)[C@H]1CCOC1 547250668 YSJUMOLNANCDAH-NSHDSACASA-N 439.251 4.138 5 20 IIBD COc1ccc([C@H](CN[C@H](c2ccc([N+](=O)[O-])cc2)c2nccn2C)N2CCCCC2)cc1 552034180 IUGNESWLFUGNRM-BJKOFHAPSA-N 449.555 4.243 5 20 IIBD CCc1nn(-c2ccccc2)c(CC)c1CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] 553801615 LVBXTFCDDQMINU-UHFFFAOYSA-N 435.528 4.289 5 20 IIBD C[C@H](Oc1ccccc1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)C(F)(F)F 558219427 CILJIFABFRDVHS-AWEZNQCLSA-N 438.406 4.279 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Nc2ccc(Cc3nc(C(C)C)no3)cc2)cc1[N+](=O)[O-] 559154146 BXAHGHQHJZLPPV-UHFFFAOYSA-N 430.486 4.110 5 20 IIBD CC[C@H](C)Oc1ccc(NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1 560224179 GHVZVRNCGFDZTD-NSHDSACASA-N 436.262 4.112 5 20 IIBD COC(=O)C(C)(C)N(C)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 560554453 DHUUEJJWFCNGML-UHFFFAOYSA-N 436.848 4.073 5 20 IIBD Cc1nc([C@H](C)NC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)n[nH]1 561384354 HNBHKFSRBOCNND-JTQLQIEISA-N 440.510 4.273 5 20 IIBD Cc1ccccc1[C@@H]([C@@H](C)Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)N(C)C 567410195 DITCTLCNYOBVEO-QVKFZJNVSA-N 441.919 4.206 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(c2noc3cc(F)ccc23)CC1 568141251 AVVDQFSZKCHNGT-UHFFFAOYSA-N 433.461 4.006 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCOc2ccc(Br)cc2C1 568418072 DVVFGBPQTCFRHN-UHFFFAOYSA-N 436.262 4.183 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C)cc2C)c1 576657234 CGPIUWUWLHXYJZ-GOSISDBHSA-N 431.539 4.087 5 20 IIBD Cn1cc(-c2ccc3c(c2)N(CC2CN(Cc4csc([N+](=O)[O-])c4)C2)CC3(C)C)cn1 577628913 SAMLFRYFDCGPMU-UHFFFAOYSA-N 437.569 4.286 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(=O)N1CCCc2occc2C1 579522706 XZHVMXSTMIOGFK-UHFFFAOYSA-N 443.506 4.314 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 581340377 VAQLZGNYPNDYJH-UHFFFAOYSA-N 430.892 4.191 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCCC[C@H]2c2nnc(C3CCC3)o2)c(C)c([N+](=O)[O-])c1 583895923 FHRQRPVWNDOGCG-INIZCTEOSA-N 443.460 4.099 5 20 IIBD Cc1c(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)nnn1-c1cccc([N+](=O)[O-])c1 591720153 CKZODNPYISMLGZ-UHFFFAOYSA-N 445.464 4.112 5 20 IIBD CC(=O)Nc1cc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1F 602034792 IIOUOCDFXQLTJM-UHFFFAOYSA-N 428.342 4.152 5 20 IIBD COc1ccc(C(C)(C)C)cc1NC(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] 603645653 TWBBILLNUDXWCE-UHFFFAOYSA-N 431.489 4.282 5 20 IIBD CCCOc1cc(NC(=O)c2csc(-c3cnn(C)c3)n2)c([N+](=O)[O-])cc1OCCC 603780782 GZPYGJBLKYBCLS-UHFFFAOYSA-N 445.501 4.282 5 20 IIBD O=C(CN1CCCCCC1)Nc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 603911105 WWWVCSYYDORRBN-UHFFFAOYSA-N 430.892 4.315 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCc1ccc(Br)cc1Cl 604467438 KWEZRZDGXWQXGX-UHFFFAOYSA-N 440.102 4.143 5 20 IIBD COc1ccc(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c(OC)n1 604471071 BQJHRFJJSDOIEF-UHFFFAOYSA-N 432.483 4.175 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 608877401 FBHVPKIGVYRXKB-SGTLLEGYSA-N 436.295 4.384 5 20 IIBD Cc1cc(OC(C)C)ccc1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 609128504 YSTAPHLRWXGIJG-UHFFFAOYSA-N 429.292 4.254 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)N1CCO[C@H](C(F)(F)F)C1 610079294 OLFORQDLAVIAIN-DLBZAZTESA-N 443.809 4.191 5 20 IIBD CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 610293568 IWULSIURCZXMNL-SFHVURJKSA-N 441.450 4.257 5 20 IIBD CCOC(=O)CC[C@H]1CCCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C1 611047181 CIGYBJRZFOGYSU-GOSISDBHSA-N 431.533 4.027 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@H]3C[C@@H]3c3cccnc3)c([N+](=O)[O-])c2)c(C)c1 619856191 OHPOMEDERYHZNN-NQIIRXRSSA-N 438.509 4.375 5 20 IIBD Cc1nc(-c2ccsc2)ccc1C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 726232736 WLSWYGSEIZEYAC-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD C[C@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1ccc2c(c1)CC(=O)N2C 728260094 NJAVOZRAQJJIKH-HNNXBMFYSA-N 430.464 4.348 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 730108182 DLIHCRWFKQVSFC-LBPRGKRZSA-N 428.327 4.487 5 20 IIBD O=C(NC[C@@H](O)c1cccc(C(F)(F)F)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 730838346 RCUPHNWFLGMJOY-MRXNPFEDSA-N 437.399 4.201 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)C(C)(C)c2ccc(OCC(C)C)cc2)cc([N+](=O)[O-])c1C 730919728 YQRYKHVNNSSYER-UHFFFAOYSA-N 448.541 4.029 5 20 IIBD CCOc1ccc2nc(Sc3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])[nH]c2c1 731917657 WITPBTPTFXBUOM-UHFFFAOYSA-N 429.426 4.017 5 20 IIBD CC(C)n1c([C@@H]2CCCN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)C2)nc2ccccc21 733958556 NLBLXJDCPXAHIQ-MRXNPFEDSA-N 440.475 4.450 5 20 IIBD C[C@H](Nc1ccc(C(=O)OC[C@H]2Cc3cc(F)ccc3O2)cc1[N+](=O)[O-])c1ccccn1 740587652 DLVREHYJDJHIMI-KBXCAEBGSA-N 437.427 4.463 5 20 IIBD COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 741238639 ICRRPUGPJIAHOZ-CYBMUJFWSA-N 433.848 4.260 5 20 IIBD Cc1ccc2cccc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)c2n1 741384411 QHZHXZIUWKWGQO-UHFFFAOYSA-N 433.342 4.266 5 20 IIBD COc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(OCC(F)F)c2ccccc12 742287396 FHANQKHVBNAAOY-UHFFFAOYSA-N 439.392 4.168 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)cc([N+](=O)[O-])c1C 744008215 ZSOBQOIURGYGSG-HOTGVXAUSA-N 443.308 4.127 5 20 IIBD O=C(COC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 745240941 KCFYCIVMNCMFFF-NEPJUHHUSA-N 444.312 4.177 5 20 IIBD CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2cccc(-c3ccccn3)c2)NC(=S)N1 749114134 TXZYSZOKWLVGRF-NRFANRHFSA-N 445.504 4.088 5 20 IIBD COc1ccccc1CC(C)(C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754998771 TXSTWNVBBDJWPF-UHFFFAOYSA-N 425.254 4.256 5 20 IIBD Cc1cc(C)n(-c2ccc(CCNC(=O)c3cccc([N+](=O)[O-])c3Br)cc2)n1 758064025 ZLDWBVYRCKAKJG-UHFFFAOYSA-N 443.301 4.132 5 20 IIBD CCNC(=O)c1ccc(Cl)cc1NC(=O)c1cccc([N+](=O)[O-])c1Br 758087590 NDKNRZHNEABYHH-UHFFFAOYSA-N 426.654 4.013 5 20 IIBD O=C(Nc1cc(NC(=O)c2ccccc2[N+](=O)[O-])c(F)cc1F)c1ccccc1[N+](=O)[O-] 759853469 LUJLAXHUBJRBJK-UHFFFAOYSA-N 442.334 4.286 5 20 IIBD COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)c(I)c1 760499462 HGGKJTSBHYASEP-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD O=C(NC[C@@H](O)c1ccco1)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 762316914 BWLLOZZHWIWWQL-OAHLLOKOSA-N 441.490 4.412 5 20 IIBD CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])c2nsnc2c1 762969048 QMYWNFKXHJUODQ-RYUDHWBXSA-N 428.470 4.297 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1cc(=O)oc2cc(C)c(C)cc12 763810213 KWSMETARHUIVDJ-UHFFFAOYSA-N 443.477 4.414 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc(Br)c(Cl)c1 764098943 PTZQVUOURYKRLV-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD COc1cc(COC(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)c([N+](=O)[O-])cc1F 766197102 VPDAESOIHKLOKI-UHFFFAOYSA-N 438.411 4.376 5 20 IIBD O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)nc(O)n2CC(F)(F)F 766367304 VHJGUEBBKCMQKX-UHFFFAOYSA-N 429.738 4.223 5 20 IIBD O=C(CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)NCCS(=O)(=O)CC1CC1 766612516 GMRBZLCQTJEPLS-UHFFFAOYSA-N 447.556 4.488 5 20 IIBD C[C@H](OC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 766770615 KNZYMYORDNVNFV-QCZZGDTMSA-N 433.342 4.470 5 20 IIBD C[C@@H](Nc1ccc(-c2nc(CNC(=O)OC(C)(C)C)no2)cc1[N+](=O)[O-])c1ccccn1 766908866 IGTBUMCDYHBRMQ-CYBMUJFWSA-N 440.460 4.238 5 20 IIBD CC(=O)[C@H](Cc1ccc(F)cc1F)OC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 768642906 LAZFOWCJHAIQMX-VOJFVSQTSA-N 427.787 4.037 5 20 IIBD COc1cc(N[C@@H]2CCCN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)C2)cc(OC)c1 769145942 YURROGURYOBQEL-OAHLLOKOSA-N 448.907 4.052 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CN3CCN(Cc4ccc(Cl)nc4)CC3)cs2)c1 769461195 QUIFOSMEGCCMEB-UHFFFAOYSA-N 429.933 4.085 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CC[C@]3(C2)OCc2ccccc23)c1=S 769775345 CRUYNGGVFLXUHU-JOCHJYFZSA-N 437.525 4.098 5 20 IIBD COc1cc(CNc2ccc(OC)c(NC(=O)C3CCCCC3)c2)c([N+](=O)[O-])cc1O 770580989 KKQLEAYFAYYZLU-UHFFFAOYSA-N 429.473 4.449 5 20 IIBD COc1cc(CN(C)Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)c(SC)cc1OC 777958265 ZJQVDGBBHGQSLF-UHFFFAOYSA-N 428.514 4.287 5 20 IIBD Cc1c(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cnn1C1CCCCC1 781305673 BYDUPOYTKUGGLC-ZDUSSCGKSA-N 434.880 4.442 5 20 IIBD COc1cccc(C2(CNC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CCCC2)c1 781633645 ZMYOIQGCICBVSM-UHFFFAOYSA-N 427.457 4.072 5 20 IIBD O=C(CCN1CCC[C@H](c2nc3c(s2)CCCC3)C1)Nc1cc([N+](=O)[O-])ccc1F 782511991 ISYVNYKAFSUQGQ-AWEZNQCLSA-N 432.521 4.277 5 20 IIBD C[C@@H](OC(=O)Cc1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 791181039 QPRJEJWYFZOXFU-SNVBAGLBSA-N 430.766 4.380 5 20 IIBD C[C@H](OC(=O)c1c[nH]c(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 796303954 NSQQGRDVFSPPKD-ZETCQYMHSA-N 439.268 4.145 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 800144280 VVFHNBKMHVUXMW-UHFFFAOYSA-N 428.441 4.269 5 20 IIBD O=C(Oc1ccc(SC(F)(F)F)cc1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 803078310 HHNLODUMTCPBMU-GFCCVEGCSA-N 446.428 4.478 5 20 IIBD C[C@@H](CC(=O)N(C)CCc1ccccc1[N+](=O)[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 803408490 IMIUFEXWZQBEST-HKUYNNGSSA-N 433.549 4.269 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 808468712 YBYZDAUQUBMGCK-WKILWMFISA-N 444.532 4.066 5 20 IIBD C[C@@H](OC(=O)c1ccc(OC(F)F)c(F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 815484133 DRQWUHORNYZWFR-MRVPVSSYSA-N 432.738 4.173 5 20 IIBD Cn1cnc(-c2ccc(Br)cc2)c1NC(=O)c1cc(F)c([N+](=O)[O-])cc1F 818349738 QIRMZGDUAJILRP-UHFFFAOYSA-N 437.200 4.288 5 20 IIBD COc1ccc(CN(C)C(=O)[C@H](C)OC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1F 877884656 WOQGHZROXYOEJM-AWEZNQCLSA-N 446.475 4.244 5 20 IIBD Cc1nc(Cc2ccccc2)sc1C(=O)O[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 915447377 YBWIVSCTNFYLGN-ZDUSSCGKSA-N 443.456 4.274 5 20 IIBD O=C(/C=C\c1cccnc1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 916418088 BJROWMXTRZHPGJ-YFHOEESVSA-N 434.521 4.076 5 20 IIBD Cc1nccn1-c1ccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cn1 917187672 LHFNDAFMDQYKAX-IYBDPMFKSA-N 434.500 4.219 5 20 IIBD Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)o1 917218595 YMKCHJZNJDNNQG-XFXZXTDPSA-N 432.392 4.365 5 20 IIBD CCN([C@@H](C)c1cccc(OC)c1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 917893409 IFJNTUCHACLSOU-LBPRGKRZSA-N 443.319 4.138 5 20 IIBD CC(C)Oc1ccccc1[C@H](C)NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 917903482 YWKLRLVXFCIAMP-LBPRGKRZSA-N 443.319 4.184 5 20 IIBD CCN(CC)C1CCN(C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)CC1 1318337775 BZDSCPQTHYUDCX-UHFFFAOYSA-N 434.587 4.457 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 1321006840 YODAVFAEXRZFLW-HNNXBMFYSA-N 433.306 4.116 5 20 IIBD CCCCOc1ccc(-c2nnc(-c3ccc(-n4cncn4)c([N+](=O)[O-])c3)o2)cc1OC 1326186588 BCJFWSJVDYSUSE-UHFFFAOYSA-N 436.428 4.080 5 20 IIBD C[C@H]1CCCN(C(=O)CCNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 1520999875 KLCGZCDSPBVPKX-INIZCTEOSA-N 427.526 4.124 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]3c3ccccc3)CCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 1790187104 ZHXLQAKWBUBBSZ-VQTJNVASSA-N 444.491 4.474 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@@H]3C[C@@]3(F)Cl)CCC2)cc1)c1cccc(F)c1[N+](=O)[O-] 1790699253 YHTZTGIIJULPNM-BTYIYWSLSA-N 449.841 4.406 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1ccc(C2(NC(=O)c3ccc[nH]3)CCC2)cc1 1791184173 RISABQQSPFJQFE-UHFFFAOYSA-N 436.443 4.052 5 20 IIBD CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccccc1 1800522573 VHJGGIFUBNIPBR-IIZPIQPGSA-N 439.487 4.180 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1)c1cccc2cc[nH]c12 1818768556 VIVXKBOGMCVBMW-INIZCTEOSA-N 448.439 4.012 5 20 IIBD CCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)[nH]n1 1821939481 PFFCKJUZZDNJCM-QGZVFWFLSA-N 431.468 4.199 5 20 IIBD CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(O)c([N+](=O)[O-])c3)CC2)CCCC1 1830489138 QPCVHIVFGULTHC-LJQANCHMSA-N 443.544 4.114 5 20 IIBD CC(C)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 1831294390 OHHDTCXWGDVJIQ-QFIPXVFZSA-N 447.551 4.332 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC(C)C)CC1 1831382613 WZQWHXGRQSVYSL-FQEVSTJZSA-N 445.560 4.278 5 20 IIBD CC(C)Cn1c(SCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])nnc1-c1ccco1 9566579 YKOSWAQZXSWDTM-UHFFFAOYSA-N 435.893 4.487 5 20 IIBD CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 15615336 SXKRSSVLAAIPAQ-QGZVFWFLSA-N 428.510 4.470 5 20 IIBD Cc1c(Cl)cccc1NC(=O)[C@H](C)OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 15683271 XMLQYXNQXVUMCH-AWEZNQCLSA-N 431.876 4.341 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)c1 21616200 LMWIZRBWEOOPGT-UHFFFAOYSA-N 440.477 4.348 5 20 IIBD C[C@@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)Nc1ccc(F)cc1Cl 24661862 WRIFUXGEVWWUCY-CYBMUJFWSA-N 449.866 4.174 5 20 IIBD Cc1nn(Cc2ccc(C(=O)OCc3coc(-c4ccccc4)n3)cc2)c(C)c1[N+](=O)[O-] 26161530 KEYARMAMOUMJTL-UHFFFAOYSA-N 432.436 4.468 5 20 IIBD COc1ccc(C2=NN(C(=O)CN(C)Cc3ccccc3[N+](=O)[O-])[C@H](c3ccco3)C2)cc1 26347366 QTKTYDKJFQIKJS-QFIPXVFZSA-N 448.479 4.006 5 20 IIBD CC(C)(C)c1ccc(C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)cc1[N+](=O)[O-] 27449832 QJQMDJGHASWFCQ-UHFFFAOYSA-N 425.485 4.146 5 20 IIBD O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 31271945 QRESFAKIRDUXBQ-UHFFFAOYSA-N 433.449 4.347 5 20 IIBD COc1ccc(-c2nc(CSc3nc4cc5ccccc5cc4c(=O)n3C)no2)cc1 31747202 CRGASSODZMXBAC-UHFFFAOYSA-N 430.489 4.438 5 20 IIBD O=C(N[C@H]1CCN(CC(F)(F)F)C1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 61583554 PYEWPBGIQNFRKL-AWEZNQCLSA-N 443.809 4.407 5 20 IIBD Cc1nccn1-c1ccc(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1F 64935719 BJVXASGQGUMEIO-UHFFFAOYSA-N 437.456 4.282 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@H](C)N2CCc3ccccc32)cc1[N+](=O)[O-])c1ccccn1 195607307 PEBPFLBEGSQPLL-ROUUACIJSA-N 445.523 4.344 5 20 IIBD CNC(=O)c1cccc(CNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c1 237057599 LGKSSFPWHNHAMZ-UHFFFAOYSA-N 441.491 4.097 5 20 IIBD C[C@@H](c1nc(-c2cccs2)no1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 301252267 SDAPJQBUCJPOLH-AWEZNQCLSA-N 436.497 4.138 5 20 IIBD Cc1csc(-c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)cc2)n1 303532842 WXBCENHTPGPARN-HNNXBMFYSA-N 442.522 4.332 5 20 IIBD C[C@@H]1C[C@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN1Cc1ccccc1 303792930 VGPBWAIAMLUXJA-SJLPKXTDSA-N 430.936 4.172 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CCC(COc4ccccc4)CC3)cc2)c(C)c1[N+](=O)[O-] 409763551 LUWYXFXYBDBLNV-UHFFFAOYSA-N 448.523 4.388 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)N(CCCn1ccnc1)Cc1c(F)cccc1Cl 427832808 NKZXPLJELREQNE-UHFFFAOYSA-N 446.866 4.325 5 20 IIBD Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)n2)c1 428379823 BHTALXNFOTXUCK-HNNXBMFYSA-N 443.467 4.318 5 20 IIBD O=[N+]([O-])c1ccc(CCS(=O)(=O)N(Cc2cccnc2)c2ccc(Cl)cc2)cc1 431094834 SBEZGOMBJFALKC-UHFFFAOYSA-N 431.901 4.222 5 20 IIBD COc1c(F)cc(S(=O)(=O)Nc2cc(-c3cc4ccccc4s3)[nH]n2)cc1[N+](=O)[O-] 432482090 FALAKTLPHYGUKA-UHFFFAOYSA-N 448.457 4.148 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccccc2CN(C)c2ccccc2)cc1[N+](=O)[O-] 434807540 FXPDOVNOBZVGJT-GOSISDBHSA-N 446.507 4.356 5 20 IIBD CN(C)[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1cccc(F)c1 435832051 YJCBSRIXLJNALP-NRFANRHFSA-N 439.437 4.131 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl 440079899 NJSXYIZLIDXLHD-AWEZNQCLSA-N 438.267 4.043 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 441687277 LAJZFTWFRKZKPG-UHFFFAOYSA-N 438.484 4.308 5 20 IIBD CCc1cc(=NCc2ccc(COC3CCOCC3)cc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 443894094 GJPCPFVDKKFXFW-UHFFFAOYSA-N 448.523 4.344 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 444481070 PEGKBYFVIPGKDD-UHFFFAOYSA-N 431.514 4.029 5 20 IIBD Cc1c(Cl)cccc1-n1ccnc1SCc1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 445603011 ZHGYHMZOHHCZNG-UHFFFAOYSA-N 445.892 4.127 5 20 IIBD CCCc1c(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])cnn1-c1cccc(C)c1 446623829 KWXKDLUDKMOWNK-UHFFFAOYSA-N 428.514 4.026 5 20 IIBD O=C(CCSc1ccc(Br)cc1[N+](=O)[O-])Nc1ccc2c(c1)OCO2 447355365 PAWKWGKHDOSJGO-UHFFFAOYSA-N 425.260 4.207 5 20 IIBD C[C@@H]1C[C@@H]1[C@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1 460598886 OAFNHFHZAYXDSC-GQNMWPQZSA-N 443.887 4.450 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1 461454893 IPYBJBMRONKUMD-WMZOPIPTSA-N 433.430 4.208 5 20 IIBD CCOc1cc(NC(=O)N2CCC(c3noc(C4CC4)n3)CC2)c([N+](=O)[O-])cc1OCC 462256861 UNZNSXZTSXZOAH-UHFFFAOYSA-N 445.476 4.064 5 20 IIBD CSc1ccc(C(=O)Nc2ccc(Cc3nnc4n3CCCCC4)cc2)cc1[N+](=O)[O-] 464102800 BLWJDCFMMHRPIO-UHFFFAOYSA-N 437.525 4.478 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1C[C@@H](n2cccn2)Cc2ccccc21 464432916 YFNLQEIVOFXWJX-SFHVURJKSA-N 431.477 4.359 5 20 IIBD CCc1ccc(-c2csc(NC(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)n2)s1 465134253 WOEQOBXNHJUADE-UHFFFAOYSA-N 431.495 4.295 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1cc(F)c(Br)cc1Cl 466445069 CNLTZZHEYGCMMB-UHFFFAOYSA-N 445.628 4.102 5 20 IIBD CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl 467214275 PFTGVBZZYLTCAP-UHFFFAOYSA-N 427.892 4.413 5 20 IIBD CC(C)(NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1)c1ccc([N+](=O)[O-])cc1 467536110 PGLHBMJPMMEKHY-UHFFFAOYSA-N 430.507 4.154 5 20 IIBD C[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1ccc([N+](=O)[O-])cc1F 468060910 JIUPZZKQQNRENG-KSFYIVLOSA-N 435.455 4.204 5 20 IIBD Cc1nn(CCC(=O)N[C@H](c2cccc(F)c2)c2cccc(Cl)c2)c(C)c1[N+](=O)[O-] 468357034 OEAZATSINXOEFK-FQEVSTJZSA-N 430.867 4.497 5 20 IIBD C[C@H](CCc1ccccc1[N+](=O)[O-])NCCCNC(=O)c1cccc(Br)c1 468372706 JVZGFTIASRKXGC-OAHLLOKOSA-N 434.334 4.088 5 20 IIBD Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 470265678 GQLKZWUMBLJEJV-WXVAWEFUSA-N 426.516 4.500 5 20 IIBD Cc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1C(=O)N(C)C(C)C 470457953 IZEKTYUUBPYEKF-UHFFFAOYSA-N 434.290 4.398 5 20 IIBD C[C@H]1CCN(C)c2ccccc2N1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br 471235718 QGZADMXRQJZSHO-ZDUSSCGKSA-N 433.306 4.031 5 20 IIBD Cc1c(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cccc1NC(=O)N(C)C 471371551 XQJRGHDHHVLAQQ-UHFFFAOYSA-N 425.470 4.373 5 20 IIBD COc1ncc(C)cc1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 471420213 WUFPLHDYESEXPA-UHFFFAOYSA-N 443.463 4.341 5 20 IIBD CCc1ccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)cc1[N+](=O)[O-] 471928195 QRZLAGVTPLPKKY-UHFFFAOYSA-N 427.464 4.335 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 472959103 QRSBDVPWXNDRPM-UHFFFAOYSA-N 441.315 4.004 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC[C@](O)(C(F)(F)F)C3)cc2[N+](=O)[O-])n1 474861351 POWGRXQDKNHIDN-MRXNPFEDSA-N 447.460 4.040 5 20 IIBD O=C([C@@H]1CCC(F)(F)C1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 479737266 CHKMAEKXKHVODK-OAHLLOKOSA-N 435.496 4.403 5 20 IIBD Cc1c(CNC(=O)Nc2ccc(CC(=O)N(C)c3ccccc3)cc2)cccc1[N+](=O)[O-] 480056723 ANJBZVIBJWLGRX-UHFFFAOYSA-N 432.480 4.430 5 20 IIBD CCc1c(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)cnn1C(CC)CC 480203372 ZPMGDVWIJUQMNT-UHFFFAOYSA-N 445.339 4.278 5 20 IIBD COc1cc(Cl)c(Cl)cc1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 482033833 KIPBWFPLXZUZJX-UHFFFAOYSA-N 440.239 4.237 5 20 IIBD C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 482960212 GPJVMYFYRBVZID-GOSISDBHSA-N 446.507 4.101 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 485594884 QGCIMKMFOYEPKT-NJDAHSKKSA-N 449.507 4.468 5 20 IIBD O=C(O)c1cc(C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)cc([N+](=O)[O-])c1 485633192 ADJMVVSBWOCZKE-UHFFFAOYSA-N 445.859 4.261 5 20 IIBD CSc1cccc(C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] 486221329 GXHWBZLFJOLSGJ-UHFFFAOYSA-N 449.960 4.243 5 20 IIBD COC(=O)c1cc(NC(=O)NCc2ccc(Oc3ccccc3)nc2)c(C)c([N+](=O)[O-])c1 486861351 XWFHZXYCSGRKNZ-UHFFFAOYSA-N 436.424 4.199 5 20 IIBD Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 486877377 DZJIVMCKSBJZED-UHFFFAOYSA-N 449.511 4.145 5 20 IIBD Cc1nc(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)sc1Cc1c(F)cccc1F 487610603 ZETGNUVCYBYMDR-UHFFFAOYSA-N 435.456 4.071 5 20 IIBD COC(=O)c1cc(NC(=O)c2cnc(Cc3ccc(F)cc3)s2)c(C)c([N+](=O)[O-])c1 489754560 OUDDLFDENQRJPM-UHFFFAOYSA-N 429.429 4.129 5 20 IIBD Cn1c(C(=O)N2CCN(Cc3ccc(-c4ccccc4Cl)s3)CC2)ccc1[N+](=O)[O-] 490732605 LTZYCMIADLQQOJ-UHFFFAOYSA-N 444.944 4.273 5 20 IIBD Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 498748390 UDIMPYZBVPGZNE-HXUWFJFHSA-N 438.509 4.300 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N(C)[C@H](C)c2cccnc2)c([N+](=O)[O-])c1 498940467 HYTPKWYPCFHJJF-QGZVFWFLSA-N 440.525 4.402 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@H](C)c2cn(C)nc2C)c([N+](=O)[O-])c1 498940648 QWLPZSSPIDTJAM-OAHLLOKOSA-N 443.529 4.025 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1C[C@@H]1c1ccc(F)cc1F 500954269 VBWUPKNMFQFQIY-ZIAGYGMSSA-N 429.345 4.224 5 20 IIBD CCOc1cc(C(=O)NCc2ccc(Br)cc2Cl)c([N+](=O)[O-])cc1OC 502530404 QWPRNYXCJVFDJH-UHFFFAOYSA-N 443.681 4.348 5 20 IIBD CC[C@@H]1CCc2nc(NC(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)sc2C1 503010308 AZCKEMJKOBVJPA-LLVKDONJSA-N 444.542 4.098 5 20 IIBD CC(C)(C)NS(=O)(=O)c1cc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)ccc1Cl 504992603 VYWWAONCDJGDCY-UHFFFAOYSA-N 436.877 4.042 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 505320534 LSSMXFMFLVALKC-FQEVSTJZSA-N 444.451 4.198 5 20 IIBD CN(C)c1ccc(CNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)cn1 505684657 YSOMXEVNDITHIJ-UHFFFAOYSA-N 439.903 4.251 5 20 IIBD COc1ccc(CN2CCN(c3ccccc3O)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 505847767 FUWLHTPNGRPICN-UHFFFAOYSA-N 449.507 4.210 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] 506903612 QBLINCJVBXEDAG-DOTOQJQBSA-N 435.402 4.313 5 20 IIBD C[C@H]1CN(Cc2ccc(CNC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2)C[C@H](C)O1 507301735 HLWAMDDDQJTARE-HOTGVXAUSA-N 439.537 4.349 5 20 IIBD Cc1ccc(Br)cc1-c1noc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)n1 508635402 IJUXDEYOIUMBLS-LLVKDONJSA-N 431.246 4.207 5 20 IIBD CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)c1ccc(OC)cc1 508768194 FXJZVLDTQPDWEQ-INIZCTEOSA-N 440.237 4.089 5 20 IIBD CN(C)[C@@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccc(F)cc1 515929075 ZYLFIPZRJKANSR-QHCPKHFHSA-N 436.487 4.379 5 20 IIBD O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)c1ccc(Cl)cc1[N+](=O)[O-] 516545269 KTIGXGLVHVQMLO-GFCCVEGCSA-N 438.709 4.267 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 517176122 TWHSHAJJUMJASV-UHFFFAOYSA-N 442.834 4.123 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ccccc3)nc2)cc1OC 518644000 MMDIEJGWIALMRY-UHFFFAOYSA-N 439.424 4.068 5 20 IIBD COc1ccc(Nc2nnc(S[C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)s2)cc1 518789356 OKEILDGLBKYJCR-MRXNPFEDSA-N 443.510 4.096 5 20 IIBD C[C@@H](NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1ccc(OCc2cccnc2)cc1 518968436 PDBFJROHERUIIH-OAHLLOKOSA-N 444.447 4.314 5 20 IIBD CC(C)c1c(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)cnn1-c1cccc(Cl)c1 521000894 LBYFZDKRPRBWLN-UHFFFAOYSA-N 428.876 4.366 5 20 IIBD O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 523963763 ABQZFOIKUCVUKN-HKBQPEDESA-N 444.509 4.200 5 20 IIBD CC(C)c1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)nn1-c1ccccc1F 525655277 XYIUGDHBGQTJRN-UHFFFAOYSA-N 435.362 4.292 5 20 IIBD COc1ccc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)cc1NC(=O)C1CCCCC1 535445519 GMXXKWQPDLXFFG-UHFFFAOYSA-N 440.500 4.486 5 20 IIBD C[C@@](O)(CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)C(F)(F)F 535573662 BSMYANDBMFYNOL-MRXNPFEDSA-N 434.823 4.443 5 20 IIBD CCOc1cc(CN(C)C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)ccc1OC(F)F 536167198 IJAGMILRBCBGMH-UHFFFAOYSA-N 433.411 4.277 5 20 IIBD CC(C)(C(=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc12)c1ccccc1Cl 538003265 ZDSBKULNKRDKMO-UHFFFAOYSA-N 427.892 4.087 5 20 IIBD O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c1 538763765 ULILNCFUMFSYGA-QGZVFWFLSA-N 430.354 4.371 5 20 IIBD COC(=O)c1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c(OCC(F)(F)F)c1 541605220 JPSLJOKXWXPEFL-JTQLQIEISA-N 444.337 4.204 5 20 IIBD CSc1c(F)cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1F 542234738 QQOHTZLKWMMADX-UHFFFAOYSA-N 428.360 4.415 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC(c2nc3ccccc3s2)CC1 542455871 NAIRRWGBDRVHGR-UHFFFAOYSA-N 426.498 4.302 5 20 IIBD C[C@H](C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])cc1F 543590013 ZNAAGDBZYYCGNH-HNNXBMFYSA-N 449.910 4.150 5 20 IIBD Cn1c(SCc2csc(-c3ccc(F)cc3)n2)nc2cc([N+](=O)[O-])ccc2c1=O 545840017 HZUPKAPRCAPYQN-UHFFFAOYSA-N 428.470 4.397 5 20 IIBD C[C@@H]1CCCN1C(=O)c1ccc(-c2noc(-c3cc(O)nc4ccc([N+](=O)[O-])cc34)n2)cc1 545852716 JMTAUHOFIUKEFB-CYBMUJFWSA-N 445.435 4.190 5 20 IIBD CCCS(=O)(=O)c1ccccc1S[C@@H](C)c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 546486404 LQDPNIBFBCOFNR-ZDUSSCGKSA-N 448.526 4.001 5 20 IIBD C[C@@H](c1nc(-c2cccc(C(=O)NCc3ccco3)c2)no1)c1ccc([N+](=O)[O-])cc1F 546980228 AWZNGRSMLUNKGM-CYBMUJFWSA-N 436.399 4.459 5 20 IIBD CN(Cc1nc(Cc2ccc(OCc3cccnc3)cc2)no1)c1ccccc1[N+](=O)[O-] 547034536 YSQNOAMPHINWSA-UHFFFAOYSA-N 431.452 4.179 5 20 IIBD O=C(O)c1cc(N2CCN(Cc3ccc(-c4ccccc4F)s3)CC2)ccc1[N+](=O)[O-] 548774687 WBESWFMLGOXFMD-UHFFFAOYSA-N 441.484 4.483 5 20 IIBD CN1CCC(Oc2ccc(CNC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)cc2)CC1 551353024 WDCKCQRINXIDCZ-UHFFFAOYSA-N 437.418 4.017 5 20 IIBD O=C(N[C@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1)c1c[nH]nc1[N+](=O)[O-] 554871274 QVDRLTBZIAZNQF-MRXNPFEDSA-N 438.337 4.026 5 20 IIBD O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 556180298 CPDAJJHGTNEATI-UHFFFAOYSA-N 426.738 4.247 5 20 IIBD O=C(NC[C@H](NCc1ccccc1)c1ccco1)c1cc([N+](=O)[O-])ccc1OC(F)F 557459802 MDMOJYBIJRWGJO-KRWDZBQOSA-N 431.395 4.050 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@H]2CCOC3(CCOCC3)C2)cc1 557844088 NEIXCWNTGPJXCG-NRFANRHFSA-N 448.523 4.265 5 20 IIBD C[C@H](CCc1ccccc1[N+](=O)[O-])NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1 558510104 XXZOGSQKTJYPPL-QGZVFWFLSA-N 436.512 4.075 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(Cc3nc(C(C)C)no3)cc2)cc1C 559155116 TWKZCYPRVDZBGQ-UHFFFAOYSA-N 430.486 4.110 5 20 IIBD C/C=C/c1ccc(OC[C@H](O)COc2c(Br)cccc2[N+](=O)[O-])c(OC)c1 564579216 HYTUJCODJXMKQC-KQIUPUNMSA-N 438.274 4.218 5 20 IIBD COc1cc(Cc2noc(-c3nc4ccccc4cc3Cl)n2)c([N+](=O)[O-])c(OC)c1 568334521 AJXFKVXJVANTMG-UHFFFAOYSA-N 426.816 4.454 5 20 IIBD O=C(Cc1noc([C@@H]2CCC[C@H]3CCCC[C@@H]32)n1)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 569766428 JJRAVVBRMJOCSI-QLFBSQMISA-N 442.472 4.004 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H]2c3ccccc3CC23CCOCC3)cc1[N+](=O)[O-] 573381512 LFEUTWFNONGCFF-JOCHJYFZSA-N 442.537 4.047 5 20 IIBD CC(C)n1cnnc1CN(C)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 584307557 PXFKWOPDOYEMKT-UHFFFAOYSA-N 442.907 4.305 5 20 IIBD O=C(Nc1cccc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1)C1CCCCC1 603761590 VPVYBFIQJGLNLQ-UHFFFAOYSA-N 436.512 4.076 5 20 IIBD CCOc1ccc(S(=O)(=O)N(C)c2ccc(Oc3cccnc3[N+](=O)[O-])cc2)cc1 603840850 CJHOHCRMNJFTIH-UHFFFAOYSA-N 429.454 4.006 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N(Cc1cccs1)c1ccc(F)cc1F 603994335 SMSKNPLCXMENMA-UHFFFAOYSA-N 445.403 4.076 5 20 IIBD COc1cc([C@H](C)NS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1OCc1ccccc1 604041758 UTFRQFYMKAZOGQ-INIZCTEOSA-N 442.493 4.222 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 604470582 RLSJGZJBJLQBQD-ILBGXUMGSA-N 443.503 4.391 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCc2[nH]c3ccc(Br)cc3c2C1 609197132 MKCJXULHPSTLFD-UHFFFAOYSA-N 443.301 4.144 5 20 IIBD CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 609410960 XXBICNUXVHSANJ-CYBMUJFWSA-N 425.268 4.424 5 20 IIBD CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H](c1cccc(F)c1)c1cnn(C)c1 610043821 PLISZPZNQDJZKL-GOSISDBHSA-N 447.264 4.092 5 20 IIBD O=C(CCCc1nc(-c2cccs2)no1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 610210232 CDTDENWJFSBTIN-IBGZPJMESA-N 430.511 4.303 5 20 IIBD COc1ccc(CN[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 610271489 OXTQQWBKHKILBE-UEVCKROQSA-N 426.513 4.476 5 20 IIBD CCOc1ccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1OCC 610335388 ZXPRJDTVGLAAHH-UHFFFAOYSA-N 435.285 4.500 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[C@@H]1C(F)(F)F 611193738 UWDKRXBNFJSGFC-WFASDCNBSA-N 448.463 4.349 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(-c2ccccc2)nn1C(C)(C)C 619506987 OTTOPQYPJGMGNW-UHFFFAOYSA-N 430.486 4.023 5 20 IIBD Cc1nc(C)c(COC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)s1 729206560 HHGFUBXRDQNUGH-UHFFFAOYSA-N 439.493 4.322 5 20 IIBD COc1ccc(/C=C(/C(=O)NCc2ccccc2)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] 730151298 JWHMXSYWNFLGBT-QGOAFFKASA-N 428.448 4.337 5 20 IIBD Cc1cccc(OC(F)F)c1NC(=O)c1ccc(I)c([N+](=O)[O-])c1 730493242 PWYIBHWBVWRLNS-UHFFFAOYSA-N 448.163 4.362 5 20 IIBD O=C(Nc1ccccc1CS(=O)(=O)c1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 730984022 OTZZGCZXRAFQRP-UHFFFAOYSA-N 430.869 4.474 5 20 IIBD C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1nc2ccc(Cl)cc2[nH]1 732545196 JGGHBKJFMCWYSJ-CYBMUJFWSA-N 427.892 4.218 5 20 IIBD O=C(OCc1cc(Cl)cc2cccnc12)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 733559236 PDZCURDSCXUJGQ-OAHLLOKOSA-N 445.884 4.206 5 20 IIBD CC(C)n1c([C@@H]2CCCN(C(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)C2)nc2ccccc21 733957663 AKSZCPAAMLODPA-GOSISDBHSA-N 446.511 4.281 5 20 IIBD O=C(Nc1ccc(N2CCCC2)c(Cl)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 735568608 BJLDISYQRYVUOX-UHFFFAOYSA-N 429.908 4.203 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)cc([N+](=O)[O-])c1 735828087 FDIVJHHZMJYEIT-UHFFFAOYSA-N 428.404 4.244 5 20 IIBD Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)NCCc1ccccc1[N+](=O)[O-] 742138423 QSPYNGJMMBHMTR-UHFFFAOYSA-N 427.844 4.374 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 743000393 LJLOSDQGBWLTAN-UHFFFAOYSA-N 426.425 4.130 5 20 IIBD CCCOC(=O)c1ccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 743098418 QYHKCTAIWXUDBK-UHFFFAOYSA-N 427.457 4.237 5 20 IIBD Cc1ccc(-c2ocnc2C(=O)OC[C@@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])cc1 744118291 YLODIEYPTIZDRS-KRWDZBQOSA-N 435.436 4.020 5 20 IIBD COc1cccc(C2(C(=O)O[C@@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)CCCC2)c1 744991743 IBXVEWIBDSUCRK-AWEZNQCLSA-N 430.432 4.125 5 20 IIBD C[C@@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Br)c1 745070504 BOQRIJKWAGYGEI-GFCCVEGCSA-N 435.274 4.205 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@H](C)c1ccccc1C(F)(F)F 745306285 ADORMMFKZMYJQJ-NEPJUHHUSA-N 440.374 4.296 5 20 IIBD Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 745442497 WWTAMSKVMRCGLC-UHFFFAOYSA-N 439.815 4.149 5 20 IIBD Cn1c(C(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)c(Cl)c2ccccc21 750435776 JQUMUYAZRNWVSO-UHFFFAOYSA-N 428.876 4.208 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cc([N+](=O)[O-])ccc1Br 750600763 CEJLFXCBFIMMEN-UHFFFAOYSA-N 443.301 4.149 5 20 IIBD CC(C)(C)OC(=O)N1CCC(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 750782156 CASQMTZTEGMIDD-UHFFFAOYSA-N 446.529 4.095 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)c1cc([N+](=O)[O-])ccc1N(C)C 751243100 HAUNBUXOCFHHJV-UHFFFAOYSA-N 426.448 4.160 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N2CCC(OCC3CCCCC3)CC2)cc1[N+](=O)[O-] 752255464 QBCQSAJPRLESDB-UHFFFAOYSA-N 430.954 4.307 5 20 IIBD Cc1ccc(N(C)[C@H]2CCCN(C(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)C2)cc1 753048220 CKCRMKVBABSEAR-NRFANRHFSA-N 433.512 4.045 5 20 IIBD CCc1ccc([C@@H](NC[C@H](O)c2cc(OC)ccc2OC)c2ccc([N+](=O)[O-])cc2)o1 753610278 AYPOCMBZVWOHRF-REWPJTCUSA-N 426.469 4.180 5 20 IIBD C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F 754986304 VYZAUBZIZBCVIP-JTQLQIEISA-N 429.231 4.417 5 20 IIBD O=C(OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1cc(F)cc(C(F)(F)F)c1 756276198 GTOSHWMZXJGVEG-OAHLLOKOSA-N 440.349 4.214 5 20 IIBD O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1cccc([N+](=O)[O-])c1Br 758902948 BIPFJGWKBSKSNH-JTQLQIEISA-N 442.672 4.159 5 20 IIBD Cc1nn(C)c(C)c1[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Br)C(F)(F)F 760763586 VFCTYBANDSNZHV-CYBMUJFWSA-N 436.184 4.168 5 20 IIBD C[C@@H](Sc1nc2ccccc2s1)C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 762905925 GJWCASWUBGGNDU-LLVKDONJSA-N 442.478 4.479 5 20 IIBD O=C(CN1CCCCCCC1)Nc1ccc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)cc1 763441757 JLCJLEHPPAMPQJ-UHFFFAOYSA-N 446.454 4.330 5 20 IIBD CC(C)(C)OC(=O)N1CCCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 765014231 NCAHGBWWKGJYJU-UHFFFAOYSA-N 428.489 4.016 5 20 IIBD CCS[C@@H](C)c1noc(COC(=O)c2cc([N+](=O)[O-])c(Br)cc2F)n1 767365490 MZXHHEYDJNBPCA-ZETCQYMHSA-N 434.243 4.051 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 770117691 QITQSIMMYDVPLW-MRXNPFEDSA-N 441.387 4.452 5 20 IIBD C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H](O)c1c(F)cccc1Cl 771028525 ONIOERPHHFBFNY-ANRSDYALSA-N 431.645 4.002 5 20 IIBD O=C(NC[C@H](O)c1ccccc1C(F)(F)F)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 771768038 YZCOAZPAISOVFK-AWEZNQCLSA-N 437.296 4.488 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1nc(C)n(-c3c(Cl)cccc3Cl)n1)CC2 773987130 FMSWOYUVQAVWEU-UHFFFAOYSA-N 432.267 4.302 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)C(=O)O[C@H](c1ccc(Br)cc1)C(C)(C)[N+](=O)[O-] 774368410 KXNAXNNFRPDCEO-BXUZGUMPSA-N 445.310 4.002 5 20 IIBD CC(C)(C)OC(=O)N=c1cc[nH]cc1CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 775045440 OWRXGVBDPUTPOK-UHFFFAOYSA-N 443.481 4.373 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(F)c(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1 776792991 UZUVBKIVSQUJEJ-UHFFFAOYSA-N 439.465 4.065 5 20 IIBD COc1cc(COC(=O)c2cc(C)n([C@H](C)C3CC3)n2)c([N+](=O)[O-])cc1OC(F)F 777182356 DTUAGASBEOIMKQ-LLVKDONJSA-N 425.388 4.038 5 20 IIBD O=C(c1cc(F)ccc1F)C1CCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 777954841 ILYUVUNBVWRWFC-UHFFFAOYSA-N 426.423 4.289 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCN(Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)C2)CC1 777958527 QQUKWEFJNZNRCH-UHFFFAOYSA-N 441.532 4.139 5 20 IIBD C[C@@H](OC(=O)c1c(N)cccc1[N+](=O)[O-])C(=O)Nc1c(Cl)cc(Cl)cc1Cl 778141213 PQSHOUZTOZVJPT-SSDOTTSWSA-N 432.647 4.321 5 20 IIBD O=C(c1cc([N+](=O)[O-])c2nsnc2c1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 778255822 ZYZJXIMDTMEOBQ-HNNXBMFYSA-N 436.453 4.017 5 20 IIBD Cc1oc(-c2ccccc2F)nc1C(=O)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 778812185 VDWUIQATGGXHEA-CQSZACIVSA-N 429.379 4.272 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)N[C@@H](C)c1ccc(Cl)cc1 778892692 PBGWFGDFNZBIQI-QWRGUYRKSA-N 442.802 4.272 5 20 IIBD COCC[C@@H](Nc1cc([N+](=O)[O-])c(OC)c(Br)c1[N+](=O)[O-])c1ccco1 779925965 OQJFUTSXCBZQLG-SECBINFHSA-N 430.211 4.057 5 20 IIBD CC(=O)N(c1ccc(C)cc1)c1nc(COC(=O)c2cc(O)cc([N+](=O)[O-])c2)cs1 780077229 VQPPYNMYJCPERM-UHFFFAOYSA-N 427.438 4.107 5 20 IIBD C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1Br)C(=O)Nc1ccc(Cl)cc1 781678573 SSNLKTKCCFYTFV-SECBINFHSA-N 427.638 4.195 5 20 IIBD O=C(Nc1cccc(C2SCCS2)c1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 783300122 ZGFXSXFFJDLYEL-UHFFFAOYSA-N 443.550 4.203 5 20 IIBD Cc1ccc([C@@H](C)N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2Br)c(C)c1 784679775 IAFINDKMXWMVLF-CQSZACIVSA-N 448.317 4.441 5 20 IIBD O=[N+]([O-])c1ccc2c(cnn2CN(Cc2cccc(Br)c2)C2CCOCC2)c1 786104941 HRKZZSWQHPXBQA-UHFFFAOYSA-N 445.317 4.346 5 20 IIBD Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl 786898166 TZWNHGRYCRQUDG-QGZVFWFLSA-N 437.283 4.117 5 20 IIBD Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C3)cc1 786930202 OFVCMKCRNQWYKT-UHFFFAOYSA-N 445.479 4.328 5 20 IIBD Nc1ccc([N+](=O)[O-])cc1C(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 787120346 SPEYDLSGPFICCL-UHFFFAOYSA-N 430.386 4.433 5 20 IIBD CCCN(C(=O)NCc1cccc([N+](=O)[O-])c1C)C1CCN(C(=O)OC(C)(C)C)CC1 790564339 KUUMIDRCOBKILU-UHFFFAOYSA-N 434.537 4.224 5 20 IIBD Cc1c(CNC(=O)N(Cc2ccccc2)C[C@H](O)c2ccsc2)cccc1[N+](=O)[O-] 790567946 XEFNQYUDJXAVRO-NRFANRHFSA-N 425.510 4.410 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)CC1 791256027 SPCSNYVLFJAFDF-MJGOQNOKSA-N 426.344 4.487 5 20 IIBD CCC(=O)c1ccc(N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)c([N+](=O)[O-])c1 795074795 XULIGCWCBBQLQT-UHFFFAOYSA-N 427.476 4.168 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1Br 798393798 GVCXFPQNNDHDFG-KRWDZBQOSA-N 434.290 4.282 5 20 IIBD CCCCCOc1cc(C)ccc1CNC(=O)C(=O)Nc1c(F)ccc([N+](=O)[O-])c1C 800615693 RQYBQJXHMCIVIO-UHFFFAOYSA-N 431.464 4.175 5 20 IIBD CO[C@@H](COC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 801196373 QIXVARZMTSBUKH-INIZCTEOSA-N 448.888 4.072 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1cc(C(F)(F)F)cc(Br)n1 806801861 DETZBPWWFQLHFV-UHFFFAOYSA-N 433.184 4.135 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCOc2c1ccc(Cl)c2Cl 810403895 XEQJJZDPPYHZIL-AWEZNQCLSA-N 438.267 4.043 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811217962 JDLUPMCXMMPICI-UHFFFAOYSA-N 438.421 4.394 5 20 IIBD COc1ccc([C@@H](O)C2CCN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CC2)cc1 812627489 SXLPQUMMWDBVAA-RUZDIDTESA-N 442.515 4.276 5 20 IIBD C[C@@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(C(F)(F)F)nc1Cl 817869495 DNTZEOCRFGTVCR-SECBINFHSA-N 446.769 4.380 5 20 IIBD CC1(C)CCC[C@@]1(O)CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 818108347 KOCALHRDBNHOIZ-JOCHJYFZSA-N 445.903 4.172 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1c1nc(-c2cc(Br)cs2)no1 904397762 JQMWFOSKZKMTAM-VIFPVBQESA-N 439.247 4.039 5 20 IIBD CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1 916398847 RHQNSLVAHQQKJH-LBPRGKRZSA-N 434.290 4.272 5 20 IIBD COC(=O)c1ccc(C)c(OC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 920107729 HPIPFCGHWOYJJT-HNNXBMFYSA-N 435.436 4.477 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)CCc2nccs2)c2ccccc2)c([N+](=O)[O-])c1 920637626 NTCMRTQOVICAPZ-HXUWFJFHSA-N 425.466 4.216 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Oc1ccccc1I 920790447 ZDYLCGKRUCHNSJ-VIFPVBQESA-N 447.612 4.226 5 20 IIBD COc1ccc(-c2nc(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cs2)c(OC)c1 921207619 NUWAKBXPDMDDGX-UHFFFAOYSA-N 440.525 4.058 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(SC(C)(C)C)cc1C 1116739118 IRJOXZYANNGHIU-UHFFFAOYSA-N 438.527 4.381 5 20 IIBD CCOC(=O)c1ccc2c(c1)N(C(=O)c1ccc(N3CCCC3)c([N+](=O)[O-])c1)CCS2 1320632630 GJFHEQHHMZWCNM-UHFFFAOYSA-N 441.509 4.124 5 20 IIBD COc1ccc(-c2nnc(COc3ccc([N+](=O)[O-])c(OC)c3)o2)cc1Br 1322610584 IQJXPQUAQWPNGB-UHFFFAOYSA-N 436.218 4.004 5 20 IIBD COc1cc(OC)cc(-c2nnc(-c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])o2)c1 1324019679 BNGDCIDJTCHVIJ-UHFFFAOYSA-N 425.319 4.270 5 20 IIBD Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CCC2)c(O)c1 1785752025 UAAMGKSDGQUKJE-UHFFFAOYSA-N 435.436 4.263 5 20 IIBD O=C(CC(F)(F)F)Nc1ccc(C2(NC(=O)c3cccc(F)c3[N+](=O)[O-])CCC2)cc1 1787876795 XJJXRTJTFALUTR-UHFFFAOYSA-N 439.365 4.434 5 20 IIBD COCCCC(=O)NC1(c2ccc(NC(=O)Cc3ccc(C)c([N+](=O)[O-])c3)cc2)CCC1 1790523884 IPCWLAIYCVXJFW-UHFFFAOYSA-N 439.512 4.006 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc([N+](=O)[O-])o1)c1cccc2ccccc12 1793274174 OCECNHHKFLZKRM-BMUSQUIPSA-N 445.475 4.306 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])[nH]n1)[C@H]1CC=CCC1 1820832075 XVMCMFWHJKKCBC-RLOGYQLBSA-N 449.511 4.380 5 20 IIBD CC/C=C(\C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2cc(F)ccc2[N+](=O)[O-])[nH]n1 1823099263 SGCBWWQYNXBOOZ-HOWNQORCSA-N 443.479 4.048 5 20 IIBD O=C(CCC1CCC1)N1CCC([C@@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1823676943 JVFKSFXKYQNGOG-QHCPKHFHSA-N 441.572 4.337 5 20 IIBD Cc1ccc(CC(=O)N2CC3(CCCN3C(=O)[C@@H](c3ccccc3)C(C)C)C2)cc1[N+](=O)[O-] 1841407151 UURAJWXDSVQTFK-XMMPIXPASA-N 449.551 4.089 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2nc(C)sc2c1 10783957 USUCUBSZDUMWJZ-QGZVFWFLSA-N 444.538 4.003 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 10898634 OJHMXKHLBDTHEX-UHFFFAOYSA-N 448.884 4.087 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)cc1OC 15766772 LRZWPMIUTGFIAR-UHFFFAOYSA-N 441.528 4.084 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1csc(-c2cccc(Cl)c2)n1 17980776 FRRFFZKPOALDTL-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD CN(C)C(=O)c1cccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 21137948 OIWWWJYJZQWLAZ-UHFFFAOYSA-N 427.404 4.046 5 20 IIBD CS(=O)(=O)N1CCCc2cc(C(=O)OCc3nc4ccccc4c4ccccc34)ccc21 21490233 MAVZNCZAMIFNQU-UHFFFAOYSA-N 446.528 4.457 5 20 IIBD C[C@@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1Br 22467199 MQEYVXFIMBTYCC-SECBINFHSA-N 427.638 4.195 5 20 IIBD O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 31418962 XVUNRNUXQJIMLD-OAQYLSRUSA-N 439.903 4.001 5 20 IIBD C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 59813329 UOACQQRAWYJCAM-HNNXBMFYSA-N 437.427 4.242 5 20 IIBD O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)c1ccc(Cl)cc1[N+](=O)[O-] 61606924 QAUCNSXNUCYMOJ-UHFFFAOYSA-N 433.855 4.426 5 20 IIBD Cc1cccn2cc(COc3ccccc3C(=O)NCCc3ccc([N+](=O)[O-])cc3)nc12 65123990 ACQIULNPBOGVFD-UHFFFAOYSA-N 430.464 4.102 5 20 IIBD O=[N+]([O-])c1ccccc1OCCSc1nnc(N2CCCCC2)n1-c1ccccc1 71961252 GTNNHLAHKPBZFN-UHFFFAOYSA-N 425.514 4.337 5 20 IIBD Cc1ccc(Cl)cc1N1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 301119183 QWGNJCBFIVZEBY-UHFFFAOYSA-N 428.920 4.119 5 20 IIBD C[C@@H](Cc1ccc(F)c(Br)c1)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] 301929200 JEYOIDUKLYDXOC-QMMMGPOBSA-N 437.312 4.005 5 20 IIBD C[C@@H]1C(=O)Nc2cc(C(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)ccc2N1C 426327584 URVBEYXZKQLZCI-CQSZACIVSA-N 432.436 4.416 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O 430463299 JYZFLTVWRZNIAZ-UNMCSNQZSA-N 432.517 4.350 5 20 IIBD C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1nc(-c2cccc(F)c2)no1 431486819 XVBXPCKLAFSKBB-SECBINFHSA-N 435.209 4.037 5 20 IIBD CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CCN(Cc2ccccc2)CC1 431938833 NYZFIJKWVZHEQL-UHFFFAOYSA-N 432.318 4.094 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@](C)(CC)COc2ncccc2Cl)cc1OC 435452318 HPNXRWPJNXBETF-FQEVSTJZSA-N 437.880 4.028 5 20 IIBD COc1ccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1N1CCCC1=O 436114423 JTCCLAUHMWJLFP-UHFFFAOYSA-N 445.450 4.208 5 20 IIBD O=C(c1ccc(NCC2(c3ccc(C(F)(F)F)cc3)CC2)c([N+](=O)[O-])c1)N1CCOCC1 436468492 HRYFQNRXWKKGBQ-UHFFFAOYSA-N 449.429 4.230 5 20 IIBD O=C(c1cc(F)cc(Cl)c1O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 436633397 AUYJBGCISWKCLP-UHFFFAOYSA-N 447.772 4.074 5 20 IIBD CC(C)n1c([C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)C2)nc2ccccc21 437310781 YCGDKUOKJQCSPK-HNNXBMFYSA-N 446.504 4.233 5 20 IIBD Cc1c(CC(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cccc1[N+](=O)[O-] 439065782 KAWHCESQSYWVHH-NRFANRHFSA-N 432.455 4.492 5 20 IIBD CCOCc1ccc(NC(=O)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(C)C)cc1 440442798 KOQRDFWMIRUSSX-LJQANCHMSA-N 433.892 4.178 5 20 IIBD O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCn2c(nnc2-c2ccccc2)C1 440631227 XAMGAXYOIJZXOJ-UHFFFAOYSA-N 440.463 4.253 5 20 IIBD C[C@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1cccc(OC(F)(F)F)c1 440822712 QDAAJGNKVPYJKZ-LBPRGKRZSA-N 434.374 4.385 5 20 IIBD O=C(CCc1nc2cc(C(F)(F)F)ccc2s1)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444638115 JZOWLBQCLISGTR-UHFFFAOYSA-N 449.414 4.349 5 20 IIBD CCCOc1cc(NC(=O)N2CCC[C@H](c3nccn3C)C2)c([N+](=O)[O-])cc1OCCC 444836579 MBMYWMVLYQZPAY-INIZCTEOSA-N 445.520 4.317 5 20 IIBD C[C@@H](NC(=O)Cc1noc(Cn2c3ccccc3c(=O)c3ccccc32)n1)c1ccccc1 445294991 KWTXGYFBFOESNI-QGZVFWFLSA-N 438.487 4.006 5 20 IIBD O=C1C[C@H](C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])c2ccc(F)cc2N1 446433982 FVXBNPCZABAOCJ-SFHVURJKSA-N 435.411 4.377 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccnc1-c1ccc(Cl)s1 446606254 UZAPAKAMKYLRJX-UHFFFAOYSA-N 430.873 4.130 5 20 IIBD Cc1nc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)nn1-c1ccccc1C(C)C 460357161 RCLURGRYDOCJOI-JOCHJYFZSA-N 437.525 4.495 5 20 IIBD C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 460534724 SLQZVYCQQSQTSZ-QGZVFWFLSA-N 442.947 4.367 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)c1 460713032 KLKZKCMTBYOFBL-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD CC(=O)c1cc(F)c(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c(F)c1F 461099353 DTZMVLVFZNXADF-UHFFFAOYSA-N 436.264 4.408 5 20 IIBD O=C(Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 461220530 LOZROWAHVHONJX-UHFFFAOYSA-N 442.357 4.237 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(F)cc2OCC(F)(F)F)c2ncccc12 463531683 MMWFEKIKZLXMPB-UHFFFAOYSA-N 445.350 4.024 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](NC(=O)c1ccccc1Br)C(C)C 464718066 BMXVIMWHFZBAMG-SFHVURJKSA-N 448.317 4.313 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F 465305683 MQPPOEYWEVEFLN-UHFFFAOYSA-N 448.209 4.066 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 466742191 DUYNFKDHBFMZEA-CULFCCOHSA-N 427.888 4.037 5 20 IIBD CCCS(=O)(=O)Nc1cccc(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1C 467336031 NCOROIPAFLIFHQ-UHFFFAOYSA-N 440.909 4.030 5 20 IIBD COc1cc(S(=O)(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)ccc1[N+](=O)[O-] 469116188 XTPCFINUPAHQSE-UHFFFAOYSA-N 442.453 4.048 5 20 IIBD C[C@@H](CCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 470008785 KOVFFSVQJIUODL-AWEZNQCLSA-N 437.418 4.044 5 20 IIBD C[C@H](CCN1CCN(C)CC1)NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 472129196 ZCJBFENMUSFYSU-QGZVFWFLSA-N 432.952 4.156 5 20 IIBD Cc1ccc(C(=O)N[C@@H](C)c2nc(-c3ccc(Br)cc3)no2)cc1[N+](=O)[O-] 472685887 KGGIKBRPJKATEV-NSHDSACASA-N 431.246 4.207 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 475636109 FWYKYMHTSRRWDU-UXHICEINSA-N 432.908 4.058 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cc(Br)ccc1N1CCCC1 477550628 IWOUXSDJHOSYQF-UHFFFAOYSA-N 449.305 4.017 5 20 IIBD CCc1nc2c(s1)[C@@H](N(C)C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)CCC2 478277974 INYYGTCLTONZIK-HNNXBMFYSA-N 435.571 4.392 5 20 IIBD Cn1c(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)nc2cccc(Cl)c21 478475034 UZQGOXVQKJWZND-UHFFFAOYSA-N 430.895 4.011 5 20 IIBD CCCCn1ccnc1-c1cccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c1 478608930 LXTHHNFQCIBTJO-UHFFFAOYSA-N 431.456 4.091 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccccc1N1CCCC1 479459855 SOYPVLKKXVYKCI-UHFFFAOYSA-N 429.542 4.206 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCC[C@](C)(OC)CC2)c([N+](=O)[O-])c1 480859925 ZPDYGDNHUBYUMK-QFIPXVFZSA-N 447.557 4.205 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(N[C@@H](CO)c3ccc(Cl)cc3C(F)(F)F)cc2N1 481063521 XLPUYWXQCKYFGU-HNNXBMFYSA-N 429.782 4.297 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCC(O)(Cc2ccc(F)cc2)CC1 481302040 BVYSZNNZXYHEFT-UHFFFAOYSA-N 441.381 4.354 5 20 IIBD CCC[C@@H](NC1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1)c1cccc([N+](=O)[O-])c1 481733762 IXFBWSVGOZQBHA-HSZRJFAPSA-N 445.585 4.488 5 20 IIBD COc1cc(C(=O)N[C@@](C)(C2CC2)C(F)(F)F)c([N+](=O)[O-])cc1OCc1cscn1 482673395 SAKKHNDFKYEWFT-KRWDZBQOSA-N 445.419 4.100 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F 483257529 QTZJNUNOQNZWBE-KRWDZBQOSA-N 445.825 4.227 5 20 IIBD CNC(=O)c1cc(Oc2cc(NC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)ccc2C)ccn1 483558674 YOZKHPKTWXORMZ-HNNXBMFYSA-N 449.467 4.333 5 20 IIBD COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 484246022 QVDKHNHKYUJRKS-UHFFFAOYSA-N 438.267 4.040 5 20 IIBD COc1cc(C(=O)Nc2nc(C)c(Cc3ccc(F)cc3F)s2)cc([N+](=O)[O-])c1OC 487601269 GKCJZGDPRWWNNY-UHFFFAOYSA-N 449.435 4.498 5 20 IIBD CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 489398777 GHLXHXKBNFLHCQ-ZIAGYGMSSA-N 443.504 4.370 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)N1CC[C@H](CN2CCCC2)C1 489506838 BOWFTSBJTZWBTD-QGZVFWFLSA-N 442.947 4.418 5 20 IIBD CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2CC)c([N+](=O)[O-])c1 489675762 RDYCCFGJOMERJB-UHFFFAOYSA-N 445.476 4.142 5 20 IIBD Cn1ccnc1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 493954024 AWWCMCPAOMBWFX-LJQANCHMSA-N 433.512 4.035 5 20 IIBD CNC(=O)c1cccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1Br 494170504 KOPAEERQBLVKDM-UHFFFAOYSA-N 449.305 4.159 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)NC1(c2ccc(F)cc2)CCOCC1 504094687 JQHOXERXLCBECF-UHFFFAOYSA-N 425.363 4.163 5 20 IIBD CC(C)CCSc1ccc(C(=O)NCc2cccnc2-n2cccn2)cc1[N+](=O)[O-] 507803411 IGCUTIQLTQNPGW-UHFFFAOYSA-N 425.514 4.244 5 20 IIBD CCCCNC(=O)c1ccc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 509447305 HWTUFAWHNQRVCA-UHFFFAOYSA-N 426.517 4.245 5 20 IIBD C[C@H](Sc1cccc([N+](=O)[O-])c1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 509708788 UDMIAYBRYACFTL-JTQLQIEISA-N 425.388 4.080 5 20 IIBD O=C(c1cc(F)ccc1F)C1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 515246701 WURWAXVJUXRIAF-UHFFFAOYSA-N 428.395 4.018 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 515623951 FJHCEQYNWDBAOL-NOZRDPDXSA-N 443.503 4.391 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@H]2c2nc3ccccc3n2C)cc1C 516332142 XTEYVCFQSKJAJQ-GOSISDBHSA-N 428.514 4.014 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1nc2ccccc2nc1N1CCCC1 518879220 CEGUTEQCBRNIMC-ZDUSSCGKSA-N 441.875 4.198 5 20 IIBD COc1cc(OCC(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)ccc1[N+](=O)[O-] 519037795 SVGXDWPOQQOJFI-UHFFFAOYSA-N 445.859 4.183 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCCc3cc(Cl)cc(F)c32)cc1OC 520256629 RCLYPKDHGAUEEV-UHFFFAOYSA-N 438.839 4.014 5 20 IIBD O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cccc(NC(=O)Nc2cccc3c2CCCC3)c1 521789282 DZKGXIDEAJOXDX-UHFFFAOYSA-N 448.483 4.343 5 20 IIBD C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 524571064 HZUUEJVNMZDFEL-RXVVDRJESA-N 446.507 4.061 5 20 IIBD O=C(CN1CCC(C(=O)c2cc(F)ccc2F)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] 532921148 WSENDLDQMQVMKN-UHFFFAOYSA-N 437.830 4.060 5 20 IIBD O=C(CN1CCSC[C@H]1c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Br 532976908 QXFCHUFEIFCUBJ-KRWDZBQOSA-N 436.331 4.086 5 20 IIBD Cc1c(Cl)cccc1NC(=O)[C@@H](C)[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534061804 VTVCCVPHLJBXPP-BRRNQIAESA-N 447.900 4.488 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCCC(C)(C)c3ccccc32)cc1OC 534114021 FOKIQNACCHFUAS-UHFFFAOYSA-N 428.485 4.347 5 20 IIBD Cc1ccc(-c2ncco2)cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 535464843 SNPYBZMKDIOJOF-FQEVSTJZSA-N 434.452 4.110 5 20 IIBD COc1ccccc1[C@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccccn1 535541285 CJCACVBTJRAODU-QHCPKHFHSA-N 434.496 4.410 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2nc(C)no2)ccc1C 535723735 LLWQVEVUDHUFPU-UHFFFAOYSA-N 428.470 4.252 5 20 IIBD Cc1nn(CCC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c(C)c1[N+](=O)[O-] 537246691 LMBRQUBLRUYVFW-OAHLLOKOSA-N 438.328 4.237 5 20 IIBD CC(C)(C)Cc1csc(NC(=O)c2ccc([N+](=O)[O-])cc2I)n1 537335932 MOSRKPJQEDBVCM-UHFFFAOYSA-N 445.282 4.497 5 20 IIBD CCN(CC)[C@H](CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1cccc(OC)c1 537966046 RUMVHUIRMURGLE-JOCHJYFZSA-N 448.523 4.478 5 20 IIBD COc1ccc(-c2nc(NC(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)n[nH]2)c(OC)c1 539293264 JAODLZWFBAYILY-UHFFFAOYSA-N 443.485 4.150 5 20 IIBD Cc1ccc(-n2nnc(C(=O)N(C)c3nc(-c4ccccc4[N+](=O)[O-])cs3)c2C)cc1 539353169 ZEIQUQQNFNZWKL-UHFFFAOYSA-N 434.481 4.192 5 20 IIBD Cc1cc(C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])nn1C1CCCCC1 539556804 GHQAQQLFYJGTCK-LJQANCHMSA-N 442.516 4.418 5 20 IIBD CCc1nc2ccccc2n1C1CCN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)CC1 540122817 KDBOIBNTJLOICM-UHFFFAOYSA-N 438.484 4.001 5 20 IIBD CCCc1c(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cnn1-c1cc(F)c(OC)cc1F 541273429 UUPGPTSUTVDJPB-UHFFFAOYSA-N 446.410 4.281 5 20 IIBD CC(C)n1c([C@H]2CCCN2c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])nc2ccccc21 542120251 POQHFUZHXWQROP-OAHLLOKOSA-N 434.543 4.332 5 20 IIBD CCN(CC)C(=O)c1ccc(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1 542224921 YNGSKVMSOCAKLT-UHFFFAOYSA-N 435.933 4.139 5 20 IIBD C[C@@H](C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1ccc([N+](=O)[O-])cc1F 542513753 QTSBKZWNUMMJBK-CQSZACIVSA-N 440.500 4.491 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(-c2nc(Cc3nc(O)c4c(C5CC5)csc4n3)no2)c1 544954443 RMOIEICZYAMABD-UHFFFAOYSA-N 429.845 4.477 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccn(C)n1 545109240 PIKWUAHKIWVQSN-DJJJIMSYSA-N 430.917 4.368 5 20 IIBD COc1cc(Br)ccc1-c1noc(CCCNc2ccc([N+](=O)[O-])cc2)n1 546490060 APQYJIJIVDAWDB-UHFFFAOYSA-N 433.262 4.461 5 20 IIBD CC(=O)N[C@@H](Cc1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1)c1ccc(Cl)cc1 546557091 BOTOHENVJWKIGT-IBGZPJMESA-N 439.859 4.123 5 20 IIBD COCCOc1cccc(-c2noc(Cn3c4ccccc4c(=O)c4ccccc43)n2)c1 547075621 ZPOFEOWSZHAXIU-UHFFFAOYSA-N 427.460 4.278 5 20 IIBD CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] 551410991 KZZLXEGEGRIJIH-UHFFFAOYSA-N 435.324 4.363 5 20 IIBD C[C@]1(C2CC2)NC(=O)N(Cc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)C1=O 562095310 SRODZBXLOIXQOT-HXUWFJFHSA-N 433.823 4.400 5 20 IIBD O=C(NCc1cc(Cl)c2c(c1)OCCCO2)c1cc([N+](=O)[O-])ccc1C(F)(F)F 565961567 DIHNOLKWHNIZRQ-UHFFFAOYSA-N 430.766 4.358 5 20 IIBD O=C(CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1Cl 566590496 AFIMZCPUEKGSOV-UHFFFAOYSA-N 439.299 4.162 5 20 IIBD Cc1c(Br)cc(C(=O)N2Cc3cnn(-c4ccccc4)c3C2)cc1[N+](=O)[O-] 569028822 LJJGSPCSKSPWHI-UHFFFAOYSA-N 427.258 4.007 5 20 IIBD CC(C)CNC(=O)c1ccc(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc1Cl 571451933 KPKAJVSUCYGJDH-UHFFFAOYSA-N 446.891 4.061 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCN([C@@H]4C[C@@H]4C)C[C@H](C)C3)cc2[N+](=O)[O-])n1 572026858 KJXOHNPPSVBCMP-GRDNDAEWSA-N 446.598 4.313 5 20 IIBD CN1CCN(C(=O)c2ccc(NCc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)cc2)CC1 573342393 KUJQIHANFACFCV-UHFFFAOYSA-N 436.537 4.323 5 20 IIBD CN(CC(=O)NC(c1ccccc1)c1ccccc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 574978104 UKJYKGZKFQDZHH-UHFFFAOYSA-N 443.459 4.319 5 20 IIBD CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 576831155 OSPZCWIETGMBSH-ZLGUVYLKSA-N 439.537 4.123 5 20 IIBD Cc1cn2c(CN(C)C(=O)c3cc([N+](=O)[O-])cc(Br)c3C)c(C)nc2s1 578137922 DGRSESAOPGSUQN-UHFFFAOYSA-N 437.319 4.264 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CN2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)c1 578827909 OEHFVOOMXFTRBK-RCCFBDPRSA-N 444.313 4.105 5 20 IIBD Cc1noc([C@@H]2CCCN2Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n1 582514017 VBPZSGVLJQHLAF-NRFANRHFSA-N 430.468 4.476 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(-c2ccc(F)cc2Cl)n1 590409055 XETZRUFGLSGYIU-GFCCVEGCSA-N 442.834 4.206 5 20 IIBD CCC(=O)Nc1cccc(CNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 603813133 TVSWBDPQMFBAAL-UHFFFAOYSA-N 438.406 4.081 5 20 IIBD COC(=O)c1cc(C(=O)N2CCC(Oc3ccc(C(C)C)cc3)CC2)cc([N+](=O)[O-])c1 603814389 CTMOCLZGBSJQRA-UHFFFAOYSA-N 426.469 4.188 5 20 IIBD COCCOc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)cc1OC 603943960 SAEKEOMBOHYABD-MRXNPFEDSA-N 443.500 4.038 5 20 IIBD CC(C)c1ccc(OC2CCN(C(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 604146084 UPILYBVNEXUGSZ-UHFFFAOYSA-N 445.903 4.380 5 20 IIBD COc1cc(OCC(=O)Nc2cccc(OCc3ccc(F)cc3)c2)ccc1[N+](=O)[O-] 604456593 XJPOJBRODSPRTP-UHFFFAOYSA-N 426.400 4.339 5 20 IIBD CCN(Cc1cnn(C)c1)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 604481906 GLWWDFSRFSBFQJ-UHFFFAOYSA-N 427.892 4.256 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)c1C 608867363 QMZAPHBKNJBAPX-SFHVURJKSA-N 442.497 4.178 5 20 IIBD Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 609860252 PIAAVPWEIYPSGI-INIZCTEOSA-N 427.507 4.272 5 20 IIBD O=C([C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)N1CCc2c1cccc2[N+](=O)[O-] 609973049 ZMMZUGWPWOHIOS-SFHVURJKSA-N 434.279 4.096 5 20 IIBD Cc1sc2ncnc(N3CCC(C(=O)N4CCc5c4cccc5[N+](=O)[O-])CC3)c2c1C 609974017 YPLVALLEAUGGMC-UHFFFAOYSA-N 437.525 4.022 5 20 IIBD COc1cc(OCC(=O)Nc2cc(-c3ccco3)nn2-c2ccc(C)cc2)ccc1[N+](=O)[O-] 609977769 OIGFFDZHUPFTSC-UHFFFAOYSA-N 448.435 4.375 5 20 IIBD O=C(N[C@H]1C[C@H]1c1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1Br 610043907 XCYFGTLLSGMXED-ZFWWWQNUSA-N 440.091 4.406 5 20 IIBD COc1ccc(CNC(=O)N2CCC[C@@H]2c2ccccc2Br)cc1[N+](=O)[O-] 610665442 RZWOVNWLCKMMDC-MRXNPFEDSA-N 434.290 4.413 5 20 IIBD COc1cc(C(=O)Nc2ccc(Cl)cc2O)c([N+](=O)[O-])cc1OCc1cscn1 611099916 MWHGQRDJUZJITI-UHFFFAOYSA-N 435.845 4.250 5 20 IIBD C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1ccc(C(F)(F)F)cc1 615967190 SCEIDRZIAPNMKI-FZMZJTMJSA-N 441.431 4.157 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H](c2ccnn2C)C(C)C)cc1 616013927 AEDOMYMKJLMNIU-HXUWFJFHSA-N 438.484 4.299 5 20 IIBD COC(=O)C[C@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1cccs1 618633291 KYZSWHLWXMKRGT-SFHVURJKSA-N 440.477 4.270 5 20 IIBD O=C(COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])N[C@@H](c1ccccc1)C1CCCCC1 725935351 OLALDNNIJYRAAJ-NRFANRHFSA-N 432.423 4.468 5 20 IIBD CC(C)[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)N[C@H]1CCCC[C@@H]1C 725985644 LXXWDJSJTJAWIF-ZLIFDBKOSA-N 441.322 4.234 5 20 IIBD O=C(c1cncc2ccccc12)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727330504 RTBKBSUUXIYQGL-UHFFFAOYSA-N 430.386 4.124 5 20 IIBD O=C(COC(=O)c1oc2ccccc2c1CSc1ncccn1)c1ccc([N+](=O)[O-])cc1 728333764 SMZBQNPDCWGUFM-UHFFFAOYSA-N 449.444 4.463 5 20 IIBD COC(=O)c1cccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2-c2cccs2)c1C 731215321 WUHAXJSTDONSQO-UHFFFAOYSA-N 433.463 4.186 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(C(=O)N2CCc3sccc3C2)cc1 731333547 LDUISHDEPRAYJD-XCVCLJGOSA-N 434.473 4.474 5 20 IIBD O=C(Oc1ccc2oc3c(c2c1)CCCC3)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 731960639 MJSZKOBKZGKDQB-INIZCTEOSA-N 440.477 4.492 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccoc1CN1c2ccccc2C[C@@H]1C 732842824 NHBOWERCPZSKAR-INIZCTEOSA-N 449.463 4.243 5 20 IIBD C[C@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C[C@@H](C)N1C(=O)OC(C)(C)C 733117277 NABZEAYTRKFWKM-HDICACEKSA-N 449.551 4.011 5 20 IIBD Cc1cc(OC(F)F)c(C(=O)OC[C@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])s1 734083254 NROFCHZOADIXPX-GFCCVEGCSA-N 440.424 4.028 5 20 IIBD CC(C)(C)OC(=O)NCCc1ccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 735438265 XJZAZZSSHWRWFW-UHFFFAOYSA-N 447.919 4.174 5 20 IIBD C[C@H](Nc1ccc(C(=O)OCCn2ncc3ccccc32)cc1[N+](=O)[O-])c1ccccn1 737356916 IROFDVAVHWUYNA-INIZCTEOSA-N 431.452 4.370 5 20 IIBD CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Br 740410337 OEYYISHBGHPFMM-UHFFFAOYSA-N 449.301 4.341 5 20 IIBD Cc1c(C(=O)NCC2(c3ccccc3Br)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 741199018 KDTQVSAQMPUYAK-UHFFFAOYSA-N 448.273 4.344 5 20 IIBD CC(C)c1nn(C)c(Cl)c1C(=O)OCCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 744063782 PPIZPUYHTWEXMJ-UHFFFAOYSA-N 435.786 4.360 5 20 IIBD CC(C)CO[C@@H](C)c1noc(COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)n1 744640241 XFGDUGAGLDYOOR-INIZCTEOSA-N 435.480 4.015 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1ccc(N2CCc3sccc3C2)cc1 748693239 PMQNFKQPURJDKU-UHFFFAOYSA-N 433.486 4.159 5 20 IIBD O=C(Oc1ccc(Cc2ccccc2)cc1[N+](=O)[O-])c1cc(N2CCNC2=O)ccc1F 749062530 OMOXEGQFWYASGZ-UHFFFAOYSA-N 435.411 4.074 5 20 IIBD O=C(Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1)c1cc([N+](=O)[O-])ccc1Cl 749825850 INWPAPDUVAEBMG-UHFFFAOYSA-N 448.870 4.397 5 20 IIBD Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1cc([N+](=O)[O-])ccc1Br 751077749 ZIJHQYUIITWCMK-APWZRJJASA-N 430.302 4.114 5 20 IIBD CCOC(=O)Nc1ccc2c(CN[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)cc(=O)oc2c1 751921051 DHIHWHCVNQEZOB-CQSZACIVSA-N 425.441 4.429 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CCCCC[C@@H]1C[C@H](O)c1ccccc1 752108510 ARIUUDVUXVTAEO-KNQAVFIVSA-N 449.507 4.417 5 20 IIBD Cc1cc(F)cc(C(=O)OCC(=O)N[C@H](c2ccccc2)c2cccs2)c1[N+](=O)[O-] 752557915 QYJMYFRKFXVBRQ-LJQANCHMSA-N 428.441 4.166 5 20 IIBD COCCCOc1ccccc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754993704 KEIAOTHPGNVZFO-UHFFFAOYSA-N 427.226 4.164 5 20 IIBD CN(C)C(=O)Sc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1 755287183 PMTOJYPHVXSLHI-UHFFFAOYSA-N 438.303 4.312 5 20 IIBD NC(=O)c1ccccc1Oc1ccc(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc1 757239220 ARLBZEZRPIABOF-UHFFFAOYSA-N 440.843 4.461 5 20 IIBD O=[N+]([O-])c1ccc(N[C@H]2CC3(CCC3)Oc3ccccc32)c(S(=O)(=O)N2CCCC2)c1 757792208 WFACYHUCIDCFMP-IBGZPJMESA-N 443.525 4.238 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760462597 BKUKQBPVYLEJCO-GFCCVEGCSA-N 429.410 4.382 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(Br)s1 761295475 NJSNPDCFYXKMNM-UHFFFAOYSA-N 433.667 4.176 5 20 IIBD C[C@H](C(=O)N1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 761647516 OVOLEWCIWAXRGI-JXFKEZNVSA-N 431.533 4.336 5 20 IIBD O=C(N[C@@H]1CCCN(c2ccccc2F)C1)c1cc(F)cc([N+](=O)[O-])c1Br 763187668 IUFHRZZKFUVIPP-GFCCVEGCSA-N 440.244 4.034 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Br)c1ccc(OCC(F)(F)F)cn1 764842128 XORJSEBOEDPPGX-UHFFFAOYSA-N 435.152 4.050 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CCC[C@@H]1c1cc(F)cc(Br)c1 767504840 VDAUETJQVDUJQJ-OAHLLOKOSA-N 436.237 4.199 5 20 IIBD Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 767817155 HGZAYRTWQXVDTG-ZDUSSCGKSA-N 446.982 4.305 5 20 IIBD O=Cc1ccc(OCC(=O)N2CCC[C@H](Cc3csc4ccccc34)C2)c([N+](=O)[O-])c1 768646396 XYGHBYBWABYADX-MRXNPFEDSA-N 438.505 4.482 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@H](Cc2ccc(F)c(F)c2F)C(C)=O)cc1SC 768677006 HQVRVMVMZFZYFV-CQSZACIVSA-N 443.399 4.100 5 20 IIBD O=C(NC[C@@H](O)c1cccc(OCc2ccccc2)c1)c1ccc([N+](=O)[O-])c(Cl)c1 768722475 VXPWKCXXFJSVMV-OAQYLSRUSA-N 426.856 4.291 5 20 IIBD O=C(Oc1cc(F)cc([N+](=O)[O-])c1)c1cnn(-c2ncccc2Cl)c1C(F)(F)F 771483917 MMLCANCMFXWZRB-UHFFFAOYSA-N 430.701 4.206 5 20 IIBD C[C@H]1C[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCN1C(=O)OC(C)(C)C 775230887 JGFIFLREIDDHON-DOTOQJQBSA-N 432.521 4.057 5 20 IIBD COc1cc(CN[C@H](C)c2ccc(N3CCOC3=O)cc2)c([N+](=O)[O-])cc1OC(F)F 775264182 ZXNCQYONZWCBKJ-GFCCVEGCSA-N 437.399 4.012 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F 776599378 ZBTDDPYWWBQCBM-AZUAARDMSA-N 434.418 4.324 5 20 IIBD CSc1cccc(C(=O)O[C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-] 777073468 HZSXRNWZVQDCAO-SNVBAGLBSA-N 444.387 4.399 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 778074548 RODCLXLFIVWWAW-BDJLRTHQSA-N 443.244 4.342 5 20 IIBD O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1cc(OCc2ccccc2)ccn1 779203248 SVDBLLUNMAOXOT-UHFFFAOYSA-N 448.479 4.037 5 20 IIBD CCOC(=O)c1ccc(F)c(C)c1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 780303748 XLSNXUSRYMMJHL-UHFFFAOYSA-N 425.210 4.234 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])OCC1CCC(c2ccccc2)CC1 781176288 DKEJMWSYHBPPSJ-UHFFFAOYSA-N 430.888 4.495 5 20 IIBD C[C@H](c1ccccc1Br)N(C)C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781604939 WNOQNCGYHOTRJQ-GFCCVEGCSA-N 436.262 4.418 5 20 IIBD O=[N+]([O-])c1ccc(CCc2nc(Cc3cccc(Br)c3)no2)c([N+](=O)[O-])c1 781614575 NIXFIUVNMKNUQD-UHFFFAOYSA-N 433.218 4.025 5 20 IIBD O=C(Nc1ccccc1C(=O)NCCNc1ccccc1[N+](=O)[O-])OCc1ccccc1 781935112 VMZKOLHBRFQURH-UHFFFAOYSA-N 434.452 4.185 5 20 IIBD O=C(NCCCc1nc(-c2ccncc2)cs1)c1cccc([N+](=O)[O-])c1Br 782168746 CYLVGKCZRBEJIJ-UHFFFAOYSA-N 447.314 4.238 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)C1(Cc2ccccc2Cl)CC1 784283208 REXXLZPRGAXBTA-ZDUSSCGKSA-N 432.860 4.150 5 20 IIBD Cc1c(C(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 786111384 CVWLYQREYZOICX-UHFFFAOYSA-N 435.849 4.488 5 20 IIBD COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1Cl 786834368 QZEFGXHSJAANSZ-SNVBAGLBSA-N 436.269 4.083 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1scc(C)c1I)CC2 787214432 RDQGCVUGSKOIIK-UHFFFAOYSA-N 428.251 4.081 5 20 IIBD O=C(COC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])Nc1cccnc1Cl 787248576 UYCVSDSWHAOCSB-UHFFFAOYSA-N 441.827 4.018 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)c1F 787939485 GHDGFRZGQHKWCT-GFCCVEGCSA-N 429.429 4.350 5 20 IIBD CC[C@@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@@H](c1ccc(C)cc1)n1cncn1 790561325 ZTKGODRILNHTJP-WIYYLYMNSA-N 445.882 4.014 5 20 IIBD CCc1ccc([C@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)CCO2)cc1 791124856 BZPFCNBTVCLECP-QGZVFWFLSA-N 437.265 4.273 5 20 IIBD Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 791981192 BUKCPMICBUIKHS-HKUYNNGSSA-N 449.429 4.292 5 20 IIBD CC(C)(C(=O)OCC(=O)Nc1ncc(C(F)(F)F)cc1Cl)c1ccccc1[N+](=O)[O-] 796440483 AZIFMYHSVUAVNO-UHFFFAOYSA-N 445.781 4.122 5 20 IIBD COc1c(C(=O)Oc2cccc(C(=O)N3CCc4ccccc4C3)c2)cccc1[N+](=O)[O-] 796629762 NLTOIPIZQRIMLO-UHFFFAOYSA-N 432.432 4.021 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](C)[C@H](O)c2c(Cl)cccc2Cl)c1 798334187 QPJBNMOFINKIHY-BLVKFPJESA-N 427.284 4.217 5 20 IIBD CCC(CC)(CNC(=O)C(=O)Nc1c(F)ccc([N+](=O)[O-])c1C)N[C@@H](C)c1ccccc1 800607419 SSLLDIZDOHDHNF-INIZCTEOSA-N 444.507 4.007 5 20 IIBD CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 804228427 NPTVOXWPPKAFTJ-SFHVURJKSA-N 440.500 4.178 5 20 IIBD C[C@H](Nc1ccc(C(=O)N(C)CC(F)(F)Br)cc1[N+](=O)[O-])c1ccccn1 807863828 PIPSEZASXIXIOA-NSHDSACASA-N 443.248 4.223 5 20 IIBD O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCCc3cccc(OC(F)F)c32)cc1Cl 809810580 DLUYWFPNZLOZGE-UHFFFAOYSA-N 436.795 4.130 5 20 IIBD C[C@@H](C(=O)N1CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1cccc([N+](=O)[O-])c1 810950113 XEGARZFXWOENBM-APWZRJJASA-N 431.533 4.194 5 20 IIBD O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCCN(CC(F)(F)F)C1 811214731 GCSSFCMABQYURN-ZDUSSCGKSA-N 429.420 4.036 5 20 IIBD NC(=O)[C@@H](OC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccc(Br)cc1 811374022 XEWFFFZEGWQIBL-ZDUSSCGKSA-N 448.056 4.048 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O 815174246 ARAMXFWKTMCPBT-CKFHNAJUSA-N 432.473 4.120 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[C@@H](Oc2ccc(Cl)cc2)C1 818931624 DFMFPDDVDKUEBP-CYBMUJFWSA-N 443.656 4.443 5 20 IIBD O=C(OCc1csc(-c2cccs2)n1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 904221274 OAHQRYDFEWTYMR-LLVKDONJSA-N 447.469 4.015 5 20 IIBD COc1cc(-c2nc(-c3ccn(C)n3)no2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 904868581 AUZBZIOIFSYHFW-UHFFFAOYSA-N 427.804 4.500 5 20 IIBD O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cc([N+](=O)[O-])ccc1I 915280050 ZVFMFDPJEGHWDH-YNEHKIRRSA-N 428.270 4.288 5 20 IIBD COc1ccc(C2=NN(C(=O)CNc3cc([N+](=O)[O-])ccc3F)[C@@H](c3ccco3)C2)cc1 916732127 JFUMJEPMTKAGSG-HXUWFJFHSA-N 438.415 4.125 5 20 IIBD CCOc1ccc(N2C(=O)/C(=C/NCc3ccccc3[N+](=O)[O-])c3ccccc3C2=O)cc1 917603579 AUTYIIAABBVXLA-CJLVFECKSA-N 443.459 4.311 5 20 IIBD Cc1ccc(C(=O)Nc2cccc(CNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)c2)cc1 917790448 JQAMKIZNYDUDHS-UHFFFAOYSA-N 448.435 4.302 5 20 IIBD COc1ccccc1OCCN(C)C(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 917818940 BBCGRKYBVLQXPD-QZTJIDSGSA-N 441.528 4.237 5 20 IIBD Cc1cccc(C(=O)OCC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)c1[N+](=O)[O-] 918802858 HCLRDEOBSASLDS-JOCHJYFZSA-N 430.460 4.234 5 20 IIBD Cc1cccc(NC(=O)[C@@H](OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C(C)C)c1C 919225793 AOWLLKCDMMPMBK-IBGZPJMESA-N 429.429 4.248 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)ccc1F 919699233 MEHVKIADIFIKOD-ZDUSSCGKSA-N 438.415 4.341 5 20 IIBD C[C@H](OC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1Br 920511010 FNZXFIBEHOGBPV-JTQLQIEISA-N 441.665 4.045 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1 920705476 PTHNZFNBHMVKRH-ZDUSSCGKSA-N 428.441 4.016 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2cc3c(cn2)OCCC3)c2ccccc2)c([N+](=O)[O-])c1 1116533686 IFXUISIPTDLOGH-JOCHJYFZSA-N 447.447 4.160 5 20 IIBD O=C(COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cc(C2CC2)nn1-c1ccccc1 1317781091 YIUWTPITWXGCJN-UHFFFAOYSA-N 440.843 4.107 5 20 IIBD O=C(CCOc1cc(Cl)ccc1Cl)O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 1318372641 JEOSBWFEGIGGAY-MRXNPFEDSA-N 439.251 4.019 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)c1cccc(Cl)c1 1318740473 NXZQLFZSHGXIKD-GOSISDBHSA-N 431.876 4.356 5 20 IIBD CCCCCCn1nc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c2ccccc2c1=O 1319116740 NCDMLNURWCWWIJ-UHFFFAOYSA-N 434.496 4.084 5 20 IIBD CCCOc1c(Br)cc(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc1OC 1319124038 ZBUWOGVWDDGGGK-UHFFFAOYSA-N 435.274 4.311 5 20 IIBD CCCN(Cc1nc(O)c2sccc2n1)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 1322356153 AIZUYGXFJRRKJE-UHFFFAOYSA-N 438.868 4.079 5 20 IIBD C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(-c2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1 1328073298 VLXRLLWHEQZXLQ-HOTGVXAUSA-N 436.468 4.480 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)c3ncccc3F)CCC2)cc1 1785793529 CQZLFGWPVXXTOZ-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)C4=CCCS4)cc3)CCC2)ncc1[N+](=O)[O-] 1786414490 PDAHFJYPEUJLSK-UHFFFAOYSA-N 438.509 4.067 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]3C3CC3)CCC2)cc1)c1cc(O)cc([N+](=O)[O-])c1 1790755688 QPLMCVFSVPZKRV-NHCUHLMSSA-N 435.480 4.094 5 20 IIBD CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 1814845203 XHUIEKMQNVFJIE-MRXNPFEDSA-N 433.896 4.006 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)[nH]n1)[C@H]1CC=CCC1 1820828896 OIBPCMVSJMFIST-LIRRHRJNSA-N 441.463 4.119 5 20 IIBD CCOc1ccc(NC(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 3607891 DHBYOFBBTVFVFO-UHFFFAOYSA-N 442.449 4.014 5 20 IIBD CCNc1ccc(C(=O)OCC(=O)Nc2ccccc2Cc2ccccc2)cc1[N+](=O)[O-] 10530818 GBMZCXBSGFAQED-UHFFFAOYSA-N 433.464 4.413 5 20 IIBD Cc1ccc(-c2nc(C)sc2CC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 11214342 ABLBRAGFZWNPOC-UHFFFAOYSA-N 439.493 4.368 5 20 IIBD COc1ccc(C(=O)O[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 11342213 WZDWRYNCLARLBA-GHMZBOCLSA-N 441.267 4.333 5 20 IIBD O=C(CNC(=O)c1ccc(Br)c([N+](=O)[O-])c1)Nc1cc(Cl)ccc1Cl 15477821 HTHKDUVCJHSYSN-UHFFFAOYSA-N 447.072 4.033 5 20 IIBD Cc1nc(COc2cccc(C(=O)O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cs1 17737179 BNXBMZKFMGHSNV-ZDUSSCGKSA-N 441.465 4.123 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])s1)Nc1cc(-c2ccccc2)nn1-c1ccccc1 20869300 GFSCLUNUCALMJE-UHFFFAOYSA-N 448.460 4.305 5 20 IIBD O=C(CNc1ccccc1SCC(F)(F)F)Nc1cc2c(cc1[N+](=O)[O-])OCO2 26782107 QCWKGALIIZUHDZ-UHFFFAOYSA-N 429.376 4.029 5 20 IIBD O=C(CSc1nnc(C2CC2)n1-c1ccccc1)Nc1cc(Cl)ccc1[N+](=O)[O-] 28797841 PLDMDEMKNMFUOQ-UHFFFAOYSA-N 429.889 4.437 5 20 IIBD COC(=O)c1cc(C(=O)NCc2ccccc2CN(C)C2CCCCC2)cc([N+](=O)[O-])c1 59888544 LFMGSVPFJAFVDI-UHFFFAOYSA-N 439.512 4.076 5 20 IIBD Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(F)c1 60487589 FWUYJWIUYPAKJF-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 116681385 KZQSPTRVZNKKJP-AWEZNQCLSA-N 434.899 4.020 5 20 IIBD CCN1CCN(CCCNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 236944391 PCQMJPMWWCOXKH-UHFFFAOYSA-N 432.952 4.158 5 20 IIBD O=[N+]([O-])c1ccc(NCc2csc(-c3ccccc3)n2)c(S(=O)(=O)N2CCCC2)c1 301098829 XLGBAFVUQUWYHO-UHFFFAOYSA-N 444.538 4.115 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2cccc(NC(=O)C3CCCCC3)c2)s1 301943408 YHTMUYROHBBMAP-UHFFFAOYSA-N 437.543 4.191 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])c1 301954394 JEMHXKISPSWUOC-FXAWDEMLSA-N 444.850 4.294 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N(C)CCc2cccc3ccccc23)ccc1[N+](=O)[O-] 303119602 IBMMKWGMDYFESX-XMMPIXPASA-N 445.519 4.362 5 20 IIBD Cc1cnc(OCC(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)c([N+](=O)[O-])c1 426590364 DKQGUGRPJVVFGY-QGZVFWFLSA-N 448.479 4.149 5 20 IIBD CN(C(=O)CN1CCC[C@@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1)c1ccc([N+](=O)[O-])cc1 427009206 RUNXXYOJYCEBJN-HXUWFJFHSA-N 439.903 4.438 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[C@@H](Nc2ccccc2)C1 427807240 UACJBTSHJHBROA-CQSZACIVSA-N 430.313 4.167 5 20 IIBD C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 429937074 QIJAWNQRGRBVEX-NSHDSACASA-N 432.274 4.197 5 20 IIBD Cc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 429959560 BORJLXVBFSPWKS-QGZVFWFLSA-N 449.301 4.479 5 20 IIBD CCc1noc(-c2ccc(C)c(NC(=O)c3cc(SC)c(OC)cc3[N+](=O)[O-])c2)n1 430454388 KGLCWCFHAXSHDJ-UHFFFAOYSA-N 428.470 4.498 5 20 IIBD C[C@@H](Oc1ccc(F)cc1Br)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 430549176 NAKVSBVJCMEXPL-LLVKDONJSA-N 425.254 4.315 5 20 IIBD CCN([C@H](c1cccnc1)c1ccc(F)c(C)c1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 431922651 JLKWAPSLHODLOD-FQEVSTJZSA-N 447.463 4.377 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCN(C(=O)c2cc3ccccc3s2)CC1 433598079 CQZSEZIQZFUUHM-UHFFFAOYSA-N 438.509 4.416 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1ccnc(Oc2ccc(F)cc2F)c1 433758918 OJZFMHHWAIEZTM-UHFFFAOYSA-N 440.366 4.258 5 20 IIBD CC(C)[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1nc(-c2cccnc2)no1 437233427 DTNJJDAKGWDXGE-HNNXBMFYSA-N 435.362 4.186 5 20 IIBD CSc1ccc(C(=O)N[C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] 437334850 SRQDDRWDFICCRW-QVKFZJNVSA-N 430.526 4.372 5 20 IIBD CCOc1cc(NC(=O)N(CCc2ccccc2)[C@@H]2CCOC2)c([N+](=O)[O-])cc1OCC 438341339 ZZJJQYIIJKCUJH-GOSISDBHSA-N 443.500 4.258 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@H](CO)Cc2ccccc2)cc1 438361978 ZEKKCQFMIOXSMK-QFIPXVFZSA-N 428.492 4.141 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CCc1ccc(Cl)cc1)CC1CC1 439850662 DDKAIOGMOBHZTD-UHFFFAOYSA-N 445.903 4.067 5 20 IIBD CSc1ccccc1[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 441399149 WYMRDLRAGICGCF-KXBFYZLASA-N 427.526 4.107 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 444241556 FGMVUUIFHUUBNA-RCDICMHDSA-N 437.490 4.048 5 20 IIBD CCc1[nH]nc(C(=O)N(Cc2ccccc2)[C@H]2CCOc3ccc(OC)cc32)c1[N+](=O)[O-] 444257029 ODSCXZFEOSNUCH-IBGZPJMESA-N 436.468 4.055 5 20 IIBD Cc1c(C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)oc2ccc(Br)cc12 444628501 AKBGHDOMIKZBKX-UHFFFAOYSA-N 429.230 4.218 5 20 IIBD Cc1cc(=O)c(-c2nc(-c3ccc([N+](=O)[O-])s3)no2)nn1-c1ccccc1C(F)(F)F 445485306 XOZROYVXUFCRFA-UHFFFAOYSA-N 449.370 4.246 5 20 IIBD O=C(Cc1noc(-c2ccc(Sc3ccccn3)cc2)n1)NCc1ccc([N+](=O)[O-])cc1 445720785 FBXBGENRJZIVRN-UHFFFAOYSA-N 447.476 4.050 5 20 IIBD CCOc1c(Cl)cc(-c2nc(Cc3cc(OC)cc(OC)c3[N+](=O)[O-])no2)cc1OC 445817331 DCMKILSUSZHYFJ-UHFFFAOYSA-N 449.847 4.314 5 20 IIBD COc1cc([C@@H](C)NC(=O)CCc2cccc([N+](=O)[O-])c2)ccc1OCc1ccncc1 445820290 GJFXLGMECXWCNB-QGZVFWFLSA-N 435.480 4.387 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCC[C@H]2C(F)(F)F)c(Br)c1 447036093 CWKDWUCALHDRNW-MWLCHTKSSA-N 445.257 4.004 5 20 IIBD CC(C)n1cnnc1[C@@H]1CCCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 447691000 NJNNRHQVPDGYBQ-LLVKDONJSA-N 434.369 4.200 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ccc(Br)c(Cl)c1 448199534 BVHQXSUQRRJSCC-UHFFFAOYSA-N 447.072 4.033 5 20 IIBD C[C@@H](c1ccccn1)N(C)C(=O)c1cc(C(=O)N(C)[C@H](C)c2ccccn2)cc([N+](=O)[O-])c1 460662977 QETRXRYTEXUOQZ-CALCHBBNSA-N 447.495 4.051 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)CCc1cncc2ccccc12)c1ccccc1[N+](=O)[O-] 462446279 JSPWZDPUAYPYLO-NRFANRHFSA-N 435.480 4.275 5 20 IIBD COc1cc(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)c([N+](=O)[O-])cc1OC(F)F 462768168 XSRZZWSPGZWSCD-UHFFFAOYSA-N 432.383 4.260 5 20 IIBD CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 463957055 AWNVNDIFLVQMPZ-HNNXBMFYSA-N 444.454 4.256 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCc1ccccc1COCc1ccccc1 464008246 SOGRGZZPYVATGI-UHFFFAOYSA-N 447.491 4.183 5 20 IIBD CCOC(=O)c1cc(C(=O)N[C@H](CC)c2nc(C(F)(F)F)cs2)cc([N+](=O)[O-])c1 465196706 WUCWRLIYUMCVSB-GFCCVEGCSA-N 431.392 4.128 5 20 IIBD Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 468164979 QHPNLUBHUFDWPW-HNNXBMFYSA-N 442.541 4.112 5 20 IIBD Cc1cc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nn1-c1c(F)cccc1F 469417152 ZMEOUBGASOYHDM-UHFFFAOYSA-N 442.422 4.051 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CC[C@H](Oc4ccncc4)C3)cc2[N+](=O)[O-])n1 469423958 HEEIXEJOOYEVDL-INIZCTEOSA-N 442.522 4.199 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(C)c(C(=O)N(C)C(C)C)c2)c([N+](=O)[O-])cc1OC 470445177 SNQZTAHTAWEYRQ-UHFFFAOYSA-N 429.473 4.043 5 20 IIBD Cc1cc(Sc2nc3cc(Cl)ccc3c(=O)n2Cc2ccco2)ncc1[N+](=O)[O-] 470870264 SVRNRBUNOIDDKH-UHFFFAOYSA-N 428.857 4.454 5 20 IIBD Cc1ccn(CC(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)c(=O)c1[N+](=O)[O-] 471522718 MPYPRCYSNHMSDZ-UHFFFAOYSA-N 439.280 4.134 5 20 IIBD CC(C)Oc1ccc(CC[C@@H](C)NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 473384686 FGNRTUAMQHKBBH-CQSZACIVSA-N 433.892 4.111 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc3c(cc2NC(=O)c2cccs2)OCCO3)c1 474652024 XVJQCNJOIAEGOS-UHFFFAOYSA-N 439.449 4.241 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cc(Br)c(F)cc2C)cc([N+](=O)[O-])c1 475080223 CVVNBFVSQYZNNZ-UHFFFAOYSA-N 425.210 4.234 5 20 IIBD COc1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc([N+](=O)[O-])c1C 477830460 MBHFMSOREPNSEZ-UHFFFAOYSA-N 438.465 4.172 5 20 IIBD COc1cc(C)c([C@@H](C)NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)cc1OC 478368638 HCHUTNUXUZCBMX-CQSZACIVSA-N 434.514 4.040 5 20 IIBD COc1cc(C(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)cc([N+](=O)[O-])c1C 480091317 WSPLMTMCDCHWMF-UHFFFAOYSA-N 440.843 4.465 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)c1C 481596133 VHQOMMOYKKYGFV-UHFFFAOYSA-N 439.921 4.146 5 20 IIBD CCc1ccc([C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3SCCOC)CCO2)cc1 482052841 DZBQRCWCCYYXEI-FQEVSTJZSA-N 430.526 4.109 5 20 IIBD CCOc1cc(CN2Cc3ccc(C)cc3C2)ccc1OCCn1c([N+](=O)[O-])cnc1C 482432823 BOWDVYRRXKYOOE-UHFFFAOYSA-N 436.512 4.402 5 20 IIBD O=C(NCc1ccc(-n2ccnc2)c(F)c1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 485777184 YIDMOZZIGGEVAV-UHFFFAOYSA-N 446.438 4.429 5 20 IIBD O=C(NCc1nc(-c2cccs2)no1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 486474875 WOZGUOCONROAIH-UHFFFAOYSA-N 435.465 4.248 5 20 IIBD Cc1ccc(C(=O)c2c(NC(=O)CCn3cc([N+](=O)[O-])nc3C)sc3c2CCC3)cc1 488868605 SCLDVIMFTLANAR-UHFFFAOYSA-N 438.509 4.218 5 20 IIBD O=C(NCc1cccc(Cn2ccnc2)c1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 494182647 LTYNQKFZBDHSIZ-UHFFFAOYSA-N 442.475 4.349 5 20 IIBD COCCN(C(=O)CO[C@@H]1CCCC[C@H]1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 497549744 DRWJJGWCSMDNCM-DNVCBOLYSA-N 433.530 4.293 5 20 IIBD CC(C)n1c([C@@H]2CCCN2S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)nc2ccccc21 503461338 RMRHGHJVVPYGNJ-NRFANRHFSA-N 442.541 4.235 5 20 IIBD C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1C 507935953 XTYMALLQJXMCAG-HNNXBMFYSA-N 441.463 4.050 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)cc1[N+](=O)[O-] 510061200 OIEAOPSLTHESKU-UHFFFAOYSA-N 434.290 4.446 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])Cc1nc2cc(-c3ccc(F)cc3)sc2c(=O)[nH]1 511103719 CGXSULLKYLCPCH-UHFFFAOYSA-N 438.484 4.373 5 20 IIBD COC(=O)c1cc(C(=O)N(Cc2cccc(Br)c2)C(C)C)cc([N+](=O)[O-])c1 512224178 AFMDMPNYAITZAS-UHFFFAOYSA-N 435.274 4.195 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1C[C@@]12CCc1cc(Br)ccc12 513008572 HSQRZRYNKJPBMH-TZIWHRDSSA-N 429.314 4.262 5 20 IIBD C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 513205782 GBGJXTGMXQRKTD-SNVBAGLBSA-N 431.297 4.138 5 20 IIBD Cc1ccc2c(C3=CCN(C(=O)C(=O)Nc4ccc([N+](=O)[O-])cc4Cl)CC3)c[nH]c2c1 516437000 QDRJXCGOANZZGO-UHFFFAOYSA-N 438.871 4.292 5 20 IIBD CCOC(=O)CCNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 519978388 BXAACSNQFFXAGC-DTQAZKPQSA-N 439.493 4.205 5 20 IIBD CN(CCCCc1ccccc1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 520882079 OSKKHASIIZUOFP-UHFFFAOYSA-N 427.320 4.001 5 20 IIBD O=C(c1cccc(F)c1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 521972826 NZZSRUGPBAIXPN-UHFFFAOYSA-N 449.438 4.124 5 20 IIBD CN1CC[C@@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 536487936 JAWZGHHDNUSCND-YCRPNKLZSA-N 446.910 4.384 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C3)cs1 536823090 SINDGFSYKVRUGL-UHFFFAOYSA-N 428.539 4.475 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1 537711678 XIDVWHMJMKZGOL-GOSISDBHSA-N 434.290 4.142 5 20 IIBD CCN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCN(Cc2ccccc2)C1 539862300 LPPZSGUDRDGKGE-NRFANRHFSA-N 433.556 4.339 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 539911844 HGVYIILVXSOMKM-UHFFFAOYSA-N 446.510 4.030 5 20 IIBD O=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 543086426 CMQKFMIYAHNJNA-UHFFFAOYSA-N 442.357 4.237 5 20 IIBD CC(=O)Nc1cccc(Nc2nnc(Sc3ncnc4cccc([N+](=O)[O-])c34)s2)c1 543451220 UGRCGAUOTVGDPN-UHFFFAOYSA-N 439.482 4.243 5 20 IIBD COc1cc(Cc2noc(-c3cc(F)c(F)cc3Br)n2)ccc1[N+](=O)[O-] 545763376 SQVFDNRCCBNROW-UHFFFAOYSA-N 426.173 4.285 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H]2CCCN(C(=O)CCOc3ccccc3)C2)n1 546399296 DODBYILCNMLCQS-KRWDZBQOSA-N 436.468 4.128 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1nc(C)n(-c2c(Cl)cccc2Cl)n1 547373113 GLVNSPHQZFABJJ-UHFFFAOYSA-N 436.255 4.442 5 20 IIBD CC(C)COc1ccccc1CNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 551719381 AOXGXAQVOQXGLN-UHFFFAOYSA-N 427.501 4.182 5 20 IIBD C[C@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])[C@H]1OCCc2sccc21 552267061 MOENWAIJOOHVGG-MGPLVRAMSA-N 430.404 4.030 5 20 IIBD Cc1nc2ccccc2n1C[C@H]1CCCN1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 556914847 DFUCCHMPLHDGEN-OAQYLSRUSA-N 430.512 4.318 5 20 IIBD O=[N+]([O-])c1ccc2nc(N3CCC(c4ccc(Br)cc4)CC3)nc(O)c2c1 557687443 ZDDILFLYSVIZCP-UHFFFAOYSA-N 429.274 4.390 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 558885797 XXSLXIGARJRNPW-GGAORHGYSA-N 446.555 4.364 5 20 IIBD CC(C)c1ccc(C(=O)Nc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)cc1[N+](=O)[O-] 560128861 RSVVQTNGTPZPBW-HSZRJFAPSA-N 436.468 4.195 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N3CCC[C@@H]3[C@@H]3CCCO3)c([N+](=O)[O-])c2)c(C)c1 561320015 MGNIFOUUWXCPSJ-IRLDBZIGSA-N 445.541 4.160 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)n1 564545846 OIGIEYBHPURXFQ-UHFFFAOYSA-N 436.449 4.421 5 20 IIBD COc1cc(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1OCc1cscn1 569298054 PNRTWWILUHIHDL-JKIFEVAISA-N 431.514 4.432 5 20 IIBD CSc1ccc(-c2csc(NC(=O)[C@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 603451643 SCGLUMZPDUWPQU-LBPRGKRZSA-N 442.522 4.197 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 603501474 QOHIMQXSMKOTMT-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD C[C@@H](N=c1c([N+](=O)[O-])c[nH]c2ccc(Br)cc12)c1ccc2c(c1)CCC(=O)N2 603863481 DBXLAWGEBCUEOX-LLVKDONJSA-N 441.285 4.385 5 20 IIBD Cc1ccc(-c2csc3ncn(CCC(=O)NCc4ccc([N+](=O)[O-])cc4)c(=O)c23)cc1 603999359 WNMLXCGVWUHVIG-UHFFFAOYSA-N 448.504 4.048 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccnn2[C@@H]2CCCc3ccccc32)cc1OC 604454155 ZNMRXPPVYFSQIF-GOSISDBHSA-N 436.468 4.377 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 608964307 DPOUNYDOMUIRMN-GOSISDBHSA-N 431.420 4.210 5 20 IIBD CN(C)CCOc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1Cl 609736535 IUPMOAVCWPLHHV-UHFFFAOYSA-N 432.908 4.041 5 20 IIBD Cc1cc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)ccc1OCCN1CCCC1 609887158 YPFUWKIJUPRPGI-KRWDZBQOSA-N 429.542 4.497 5 20 IIBD O=C(Cc1csc(Cc2ccc(F)cc2)n1)NCCCCc1ccc([N+](=O)[O-])cc1 610046448 KQSNFJIGQUEMNE-UHFFFAOYSA-N 427.501 4.463 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)Nc1cc(F)c(F)c(F)c1)c1ccccc1[N+](=O)[O-] 610163496 QLALCIQZUIBECT-HNNXBMFYSA-N 425.363 4.217 5 20 IIBD COC(=O)c1cc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c(Br)cc1F 610182757 RXUGNHJUIQYRHI-UHFFFAOYSA-N 431.601 4.189 5 20 IIBD O=C(COc1ccc(Br)cc1[N+](=O)[O-])NCCc1cccc(Cl)c1Cl 610219493 BEKYQHRXCRXIDD-UHFFFAOYSA-N 448.100 4.402 5 20 IIBD O=C(NCc1cccc(OCc2ccccn2)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 610879529 BLEOPMDNXWHXAP-UHFFFAOYSA-N 432.480 4.443 5 20 IIBD CN(C)C(=O)COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cc1 611200097 LDCYZBVAGNJRFL-UHFFFAOYSA-N 443.525 4.349 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([C@@H]2CCCCCN2C(C)=O)CC1 613182230 RFCXTLWXWHAIOQ-REWPJTCUSA-N 429.561 4.193 5 20 IIBD CC(C)(C)OCc1ccc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 615091211 CBXAJHUEPVLIJY-UHFFFAOYSA-N 425.485 4.040 5 20 IIBD COc1cccc(C(=O)N2CCc3[nH]c4c(Br)cccc4c3C2)c1[N+](=O)[O-] 618196507 HURAMJAWPDRSNR-UHFFFAOYSA-N 430.258 4.046 5 20 IIBD Cc1ccc(OC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c(Br)c1 726498253 KOLGUQRVAWHAKZ-QGZVFWFLSA-N 447.285 4.184 5 20 IIBD O=C(OCc1c(F)cccc1[N+](=O)[O-])[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 728992751 VFHPUEXUOMXXCV-QGZVFWFLSA-N 441.242 4.389 5 20 IIBD Cc1noc2nc(C(C)C)cc(C(=O)OCC3CCN(c4ncccc4[N+](=O)[O-])CC3)c12 729194892 AZDJZBKHEWJHJD-UHFFFAOYSA-N 439.472 4.031 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OCc1csc(COc2ccc(F)cc2)n1 729613506 UBISYFKARQQBJZ-UHFFFAOYSA-N 431.445 4.192 5 20 IIBD C[C@H](CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)Sc1ccc(Br)cc1 731653550 BCWJHVUBCWZENR-GFCCVEGCSA-N 449.330 4.004 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1Nc1ccc2c(c1)nc1n2CCCCC1 731916955 BGGJWMZBAXARNW-UHFFFAOYSA-N 436.440 4.411 5 20 IIBD COc1ccc(Cl)cc1NCC(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 733502057 KCVISZMIICBBEO-NSHDSACASA-N 432.820 4.023 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1 733638774 ZGIFEXQKMOFUOR-UHFFFAOYSA-N 429.820 4.161 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@H](O)c2ccc(OC(C)C)cc2)CC1 734870969 LAMSYNBCKDGFQZ-QHCPKHFHSA-N 441.528 4.082 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(-n2nccn2)cc1C(F)(F)F 735428881 NVEIRCWBKANINA-UHFFFAOYSA-N 425.754 4.029 5 20 IIBD CC(C)(C)OC(=O)N1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)c2ccccc21 741739180 ZUVZQHPCFZVFPX-UHFFFAOYSA-N 427.457 4.152 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N2CCC(C(C)C)CC2)cc1 742116074 LCXJZOOOGZRRMT-UHFFFAOYSA-N 446.525 4.179 5 20 IIBD O=C(c1ccc(C(=O)N2CCC3(CCCC3)C2)c([N+](=O)[O-])c1)N1CCC2(CCCC2)C1 743766486 YMDDSUNIHJOUKQ-UHFFFAOYSA-N 425.529 4.407 5 20 IIBD CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 743782643 XSCSJXOZFFPPEQ-IBGZPJMESA-N 440.500 4.104 5 20 IIBD CCOc1cc(N2CCC(OC(=O)Cc3c[nH]c4ccc(F)cc34)CC2)ccc1[N+](=O)[O-] 744204019 MSBHBMFMJPYENG-UHFFFAOYSA-N 441.459 4.369 5 20 IIBD Cc1ccc([C@@H](NC(=O)COC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c2cccs2)cc1 745892775 MHOFUAHTIDNMAV-JQJJQDGNSA-N 436.489 4.427 5 20 IIBD COc1ccc(-c2nnc(SCC(=O)OCc3cc(Cl)ccc3[N+](=O)[O-])o2)cc1 746056680 UTIAMUCOBSVAHZ-UHFFFAOYSA-N 435.845 4.142 5 20 IIBD O=C(OCc1ccc(OCc2cccs2)cc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 746468511 GXJSNEXSRYVQBH-UHFFFAOYSA-N 436.449 4.173 5 20 IIBD Cc1ccc(N2C(=O)/C(=C/c3ccc(Br)c([N+](=O)[O-])c3)NC2=S)c(C)c1 747969826 FVDUIKKIBPNVHV-ZSOIEALJSA-N 432.299 4.236 5 20 IIBD CCn1cc(CC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c2ccccc21 748414295 WEGZNUTYBGCORD-UHFFFAOYSA-N 449.385 4.313 5 20 IIBD O=C(COC(=O)c1ccnc(Oc2ccccc2)c1)Nc1cc([N+](=O)[O-])ccc1Cl 749290609 HRGZWHAFYZDFOC-UHFFFAOYSA-N 427.800 4.231 5 20 IIBD COc1cc(COC(=O)Cc2nc(-c3ccco3)oc2C)c([N+](=O)[O-])cc1OC(F)F 750187220 BBCGVDSNFKEVPJ-UHFFFAOYSA-N 438.339 4.047 5 20 IIBD COC(=O)c1occc1CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C)c1ccccn1 751127804 HOJNLXITRSVNMA-ZDUSSCGKSA-N 443.843 4.426 5 20 IIBD CCCc1c(C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cnn1C1CCCC1 751846798 XZRINFURKPSGCU-UHFFFAOYSA-N 425.445 4.266 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCCCC[C@H]1C[C@H](O)c1ccccc1 752115646 YMYNIKUNKLKOST-GOTSBHOMSA-N 434.496 4.289 5 20 IIBD C[C@@H](OC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(Cc2ccccc2)C1 755868347 HUDZXVBYKJJXQM-YLJYHZDGSA-N 434.496 4.063 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)O[C@H]2CCO[C@@H](c3ccc(C)cc3)C2)cc1OC 757531285 YKHAYVYBXVJDEP-FXAWDEMLSA-N 445.468 4.014 5 20 IIBD COc1ccc(-c2cncc(C(=O)O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)c2)cc1 758102036 UUTAXKUHLAARAA-HNNXBMFYSA-N 435.436 4.158 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cncc(-c2ccc(Cl)cc2)c1 758110524 RWZRDKAYLAZVGY-UHFFFAOYSA-N 425.828 4.414 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)nc1)c1cccc([N+](=O)[O-])c1 758516690 NROIMTTXOCSWGQ-LNENJAERSA-N 443.887 4.285 5 20 IIBD COc1ccc2c(c1)CN(Cn1nc(C)c3cc([N+](=O)[O-])cnc31)[C@H](c1ccccc1)C2 759150313 XKQUZNHBJZLBNZ-QHCPKHFHSA-N 429.480 4.414 5 20 IIBD COc1ccccc1-c1nc(C(=O)O[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cs1 759945176 GTDVOVLDEXKBLJ-DOTOQJQBSA-N 428.470 4.264 5 20 IIBD C[C@H](C[C@@H]1CCOC1)NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 759964594 IRTNQSDOUURBCV-KGLIPLIRSA-N 431.876 4.045 5 20 IIBD Cc1ccc(N(Cc2ccco2)C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)cc1C 766392847 PWJVUGOJKIXPKJ-UHFFFAOYSA-N 447.447 4.305 5 20 IIBD Cc1csc(-c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc34)cc2)n1 766471050 YUEBCKFXEGIQOS-UHFFFAOYSA-N 427.463 4.343 5 20 IIBD CC(C)Oc1ccc(COC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)cc1Cl 766915649 IWBKLPAHHSOWNZ-UHFFFAOYSA-N 446.843 4.046 5 20 IIBD COc1ccc(-n2c(SCc3cc(F)ccc3[N+](=O)[O-])nnc2-c2cnccn2)cc1 768411657 LJMIFERHZUWHNI-UHFFFAOYSA-N 438.444 4.073 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Cc1ccc(F)cc1Cl 769618023 BCEBBNOMRNEJIX-UHFFFAOYSA-N 432.839 4.417 5 20 IIBD COc1ccc(CN2C(=O)/C(=C\c3ccc([N+](=O)[O-])c(OC)c3)c3ccccc3C2=O)cc1 770569175 RHPUJTKNZDAXNR-BKUYFWCQSA-N 444.443 4.335 5 20 IIBD CN(C)C(=O)NCCN(C)C(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34 775809701 DFWLKBDOAXYOMB-UHFFFAOYSA-N 429.520 4.277 5 20 IIBD COc1ccc2nc(Cl)ccc2c1S(=O)(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 776301794 ZFUBUTZPDADXNE-UHFFFAOYSA-N 444.856 4.154 5 20 IIBD Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2ncsc2c1 777609391 AKTMDCUGWDCLNY-UHFFFAOYSA-N 428.289 4.076 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)N(Cc2cccc(Cl)c2)C(C)C)cc1[N+](=O)[O-] 777885506 KLTSEVSRCHKENB-UHFFFAOYSA-N 441.893 4.026 5 20 IIBD O=C(OCc1ccc(CO)cc1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 778758238 NMUJPDHZGPHWDV-UHFFFAOYSA-N 438.402 4.066 5 20 IIBD O=C(NC[C@H](O)c1c(Cl)cccc1Cl)c1ccc2[nH]c3ccccc3c(=O)c2c1 780917251 XXEVGKWINHZIKE-IBGZPJMESA-N 427.287 4.452 5 20 IIBD COc1ccc(C[C@@H](C)C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC 781160373 CATZOEQAYNWZAF-CQSZACIVSA-N 426.425 4.189 5 20 IIBD COc1ccc(C(=O)c2ccccc2C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 781294712 CYBYOMGLFURYSP-OAHLLOKOSA-N 448.431 4.018 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)cc2)CCO1 781934479 HMYUVYJINYXZBA-AWEZNQCLSA-N 449.457 4.437 5 20 IIBD CCOCN(C(=O)COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1c(C)cccc1CC 782619377 JUKLKADKGCEQFX-UHFFFAOYSA-N 434.876 4.303 5 20 IIBD COc1cc(Br)ccc1CCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl 784447969 RCQMGZHZGYNDHQ-UHFFFAOYSA-N 427.682 4.382 5 20 IIBD CC(C)[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H](O)c1ccccc1 789253968 VTDVHWXSWXIRNZ-MSOLQXFVSA-N 425.407 4.171 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1nc(Br)ccc1Br 790110100 DJTSCCKAYQRDFP-UHFFFAOYSA-N 429.068 4.384 5 20 IIBD C[C@H]1CCCCN1CCC1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 790895247 ILCSDIHFAXZWHP-HNNXBMFYSA-N 425.932 4.433 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)ccc1[N+](=O)[O-] 792247648 QHLLTUHGQCOBHJ-NSHDSACASA-N 447.419 4.489 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NS(=O)(=O)Cc1ccc(Cl)cc1Br 800052478 YHOHWMPSQSTYCF-UHFFFAOYSA-N 437.674 4.400 5 20 IIBD C[C@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 804175758 NTCMZIQTZNZEFK-LAUBAEHRSA-N 441.528 4.498 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1cccc(Cl)c1SC(F)F 807298002 PZKCWTNLWYPXNG-UHFFFAOYSA-N 443.859 4.203 5 20 IIBD O=C(N[C@@H](c1noc(-c2cc([N+](=O)[O-])ccc2N2CCCC2)n1)C1CC1)c1ccccc1 809510150 NEDSUHYAGFLDLH-HXUWFJFHSA-N 433.468 4.126 5 20 IIBD CC(C)CC1(CNC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CCCC1 810375028 OFGBOXBLCNANOM-UHFFFAOYSA-N 426.311 4.019 5 20 IIBD COc1ccc(C(=O)NCCCC(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 811079035 QSSMVLXEJOOPRK-UHFFFAOYSA-N 441.267 4.164 5 20 IIBD CC(C)S(=O)(=O)CCNC(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34 811556465 KMUBPKFIBZNUGO-UHFFFAOYSA-N 435.545 4.486 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncc(-c3ccc(Cl)cc3)s2)c([N+](=O)[O-])c1 811836650 HIQXSIRXMSIRMC-UHFFFAOYSA-N 440.846 4.081 5 20 IIBD C[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(N2CCCNC2=O)cc1 812801338 QXGYDIUMIAFWGY-OAHLLOKOSA-N 437.525 4.489 5 20 IIBD O=C(COc1ccc2oc3ccccc3c2c1)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 853701284 HXHFUVHOVBSHGX-UHFFFAOYSA-N 446.415 4.006 5 20 IIBD CC(=O)Nc1cccc(NC(=O)[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(C)C)c1 877119159 BUAYIXVXCCZLQY-SFHVURJKSA-N 433.848 4.027 5 20 IIBD COc1ccc(NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1OCC(N)=O 916842988 IZCGTOWIECIPAK-UHFFFAOYSA-N 441.415 4.011 5 20 IIBD Cc1nc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])sc1Cc1ccc(F)cc1 918195420 RWPLMNMDZYZKIP-UHFFFAOYSA-N 425.438 4.030 5 20 IIBD Cc1ccc(C2=NN(C(=O)CN3Cc4ccc([N+](=O)[O-])cc4C3)[C@H](c3ccco3)C2)cc1 1116330202 XEDVSOUHPGKKOZ-QFIPXVFZSA-N 430.464 4.190 5 20 IIBD Cc1c(C(=O)OCC(=O)N(CC(F)(F)F)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 1317745424 HJNWZOMXCRCILQ-UHFFFAOYSA-N 430.766 4.309 5 20 IIBD Cc1cccc(NC(=O)N2CCN(Cc3ccc([N+](=O)[O-])cc3Br)CC2)c1 1320413097 ROMOQWLQIYFMJE-UHFFFAOYSA-N 433.306 4.015 5 20 IIBD Cc1ccc(/C(O)=C(/C(=S)Nc2cccc(F)c2F)[n+]2cccc(O)c2)cc1[N+](=O)[O-] 1340987857 NQIKYJMOTVLPJS-UHFFFAOYSA-O 444.439 4.498 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(-c2nnc(Cc3ccc4ccccc4c3)o2)cc1OC 1341536687 JPFJMAREDYAADL-UHFFFAOYSA-N 435.436 4.423 5 20 IIBD Cc1c(NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cccc1N1C(=O)CNC1=O 1344381659 PPWIUWJQZQDHCL-UHFFFAOYSA-N 440.843 4.485 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@H]3CCC=CO3)cc2)CCC1)c1cccc(F)c1[N+](=O)[O-] 1789503740 AEFLBOWNPSOAMI-LJQANCHMSA-N 439.443 4.174 5 20 IIBD CC(F)(F)C(=O)NC1(c2ccc(NC(=O)CSc3ccccc3[N+](=O)[O-])cc2)CCC1 1791522394 PCGZHHPHQYGJJD-UHFFFAOYSA-N 449.479 4.476 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)NC1(c2ccc(NC(=O)C3=COCCC3)cc2)CCC1 1791637269 SHEGXNXBBVQFJI-CSKARUKUSA-N 437.452 4.029 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@]3(F)CCCC=C3F)cc2)CCC1)c1ccc([N+](=O)[O-])[nH]1 1792379440 JJVNRZNQYQLSQR-QFIPXVFZSA-N 444.438 4.416 5 20 IIBD O=C(CC1CCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2cccc([N+](=O)[O-])c2)CCC1 1800040267 WICWAUDNHBTTSG-WKCHPHFGSA-N 439.556 4.235 5 20 IIBD CC1(C(=O)N2CCCC3(CCN(C(=O)c4cc(F)cc([N+](=O)[O-])c4)CC3)C2)CCCC1 1804989427 GBLVOBFTQWBVGJ-UHFFFAOYSA-N 431.508 4.159 5 20 IIBD CC/C=C(\C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])[C@@H]1c1cccnc1 1813708782 WZJMJWCLFKWOTD-IDSBSLDZSA-N 448.523 4.065 5 20 IIBD O=C(C1CC2(CCC2)C1)N1CC2(CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 1845739757 IBMBINHQPNGRKK-UHFFFAOYSA-N 439.537 4.207 5 20 IIBD C[C@@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccn1 10557686 NKYBHTWHBLJZAZ-QGZVFWFLSA-N 427.464 4.262 5 20 IIBD COc1cc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c(OC)cc1Cl 14940348 PUAKRJJYSHYZCX-UHFFFAOYSA-N 444.875 4.379 5 20 IIBD COc1ccc(CCNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1OC 15739254 CPDYOEFXBVXYRE-UHFFFAOYSA-N 435.480 4.197 5 20 IIBD COc1ccc(NC(=O)[C@H](OC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c2ccccc2)cc1 16751066 NFVKNSUFVOPKES-OAQYLSRUSA-N 436.420 4.149 5 20 IIBD CSc1ccc(C(=O)O[C@@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)cc1[N+](=O)[O-] 22162552 KNEYGDJMXPGOHI-NSHDSACASA-N 440.880 4.313 5 20 IIBD O=C(OCc1nc2ccccc2n1C(F)F)C1CCN(c2ccccc2[N+](=O)[O-])CC1 25557280 NYNOJFOOJLWBEX-UHFFFAOYSA-N 430.411 4.299 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 30392131 ZSYPFEOPWYGROE-OAHLLOKOSA-N 437.427 4.070 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cccc(N4CCCC4=O)c3)cc2[N+](=O)[O-])C1 61231305 CCMWGATYKAKAQI-CALCHBBNSA-N 436.512 4.456 5 20 IIBD COc1ccc(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1[N+](=O)[O-] 72021337 QJPIGPCUSTTYAO-UHFFFAOYSA-N 438.402 4.100 5 20 IIBD Cc1ccc([C@@H](NC(=O)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)c2cccs2)cc1 116705401 GSZONDKRTSTBLO-OAQYLSRUSA-N 433.493 4.129 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCc1ccc(F)cc1Br 301235415 KCKCAZPAFLNAHR-UHFFFAOYSA-N 439.209 4.105 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)c1[N+](=O)[O-] 301628090 HZSMPIHKZZVYGN-ZDUSSCGKSA-N 442.255 4.268 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1SC 303223395 VYXHXKODPKEVAI-UHFFFAOYSA-N 426.498 4.221 5 20 IIBD COc1ccc(OCCn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c([N+](=O)[O-])c1 303891686 KIOLOWFHZBSFAL-UHFFFAOYSA-N 437.477 4.429 5 20 IIBD O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 426121015 WROMFRWSHDLUGD-UHFFFAOYSA-N 442.369 4.466 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)cc(C)c1Br 427798261 CEWJBRPNNFJEBG-UHFFFAOYSA-N 425.304 4.311 5 20 IIBD O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1ccc(Br)cc1[N+](=O)[O-] 429874003 UBOQFGJSTMGGJV-UHFFFAOYSA-N 439.678 4.203 5 20 IIBD COc1ccc(-c2noc(COc3c(Br)cccc3[N+](=O)[O-])n2)c(OC)c1 431217041 GXENNPDTKVJJFP-UHFFFAOYSA-N 436.218 4.004 5 20 IIBD C[C@@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c2cc(Br)ccc2O1 436329833 LNHVPFWMIPEEON-LLVKDONJSA-N 430.258 4.195 5 20 IIBD O=C(c1ccc(O)c([N+](=O)[O-])c1)N(CCCn1ccnc1)Cc1c(F)cccc1Cl 436960352 CUNFKZADEAAQQV-UHFFFAOYSA-N 432.839 4.022 5 20 IIBD Cc1ccc(-c2ccncc2)cc1NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437037733 MVDFUFYXANPXKR-UHFFFAOYSA-N 430.464 4.095 5 20 IIBD CCN1CCN(c2ccc(NC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)c(C)c2)CC1 437401123 UWSKWPKWSGPFCH-UHFFFAOYSA-N 437.544 4.242 5 20 IIBD Cc1c(CC(=O)N[C@@H](C)c2nc(-c3ccc(Br)cc3)no2)cccc1[N+](=O)[O-] 438959734 AMZLGNLILCBEGS-LBPRGKRZSA-N 445.273 4.136 5 20 IIBD COCCc1noc(-c2cc(Cl)ccc2NC(=O)CSc2ccc([N+](=O)[O-])cc2)n1 439680747 GKNVMDBWAKACCW-UHFFFAOYSA-N 448.888 4.218 5 20 IIBD Cc1nc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)ccc1[N+](=O)[O-] 440414034 YJKNDXGSHZDZRX-UHFFFAOYSA-N 446.492 4.277 5 20 IIBD O=C(NCC(=O)N1CCCCC[C@@H]1/C=C\c1ccccc1)c1c(Cl)cccc1[N+](=O)[O-] 440863580 CFQJHIYVMYARIM-SWNWVQGVSA-N 441.915 4.463 5 20 IIBD CC(C)[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc(-c2ccncc2)no1 443870200 ROLGCEOQTSMJGT-HNNXBMFYSA-N 435.362 4.186 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1cc(Cl)ccc1N1CCCCC1 444818504 PLMJLRYVPNVQAM-UHFFFAOYSA-N 428.880 4.437 5 20 IIBD C[C@H](c1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1)N1CCOCC1 445170096 BHZKJUAFEBDZOA-LLVKDONJSA-N 440.319 4.064 5 20 IIBD O=C(Cc1noc(/C=C/c2ccc([N+](=O)[O-])cc2)n1)Nc1ccccc1Br 445478461 QVRCSDMMCYPWPF-JXMROGBWSA-N 429.230 4.092 5 20 IIBD CCN(C(=O)Cc1noc(-c2cc(Br)cc([N+](=O)[O-])c2)n1)c1ccccc1 445685707 UENWBXISOODMTQ-UHFFFAOYSA-N 431.246 4.003 5 20 IIBD C[C@H]1CN(c2ccccc2NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@@H](C)O1 445820819 UWDJDVVBLDDPOH-OKILXGFUSA-N 448.317 4.152 5 20 IIBD C[C@@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl 446379199 ZRUKUDLMHGNKBV-SECBINFHSA-N 430.675 4.162 5 20 IIBD CN1CCCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c2cc(Cl)ccc21 460305046 RSUUYAZTYPCJFI-UHFFFAOYSA-N 425.876 4.135 5 20 IIBD O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 461406911 MNIFAHQRTCGNRE-UHFFFAOYSA-N 432.436 4.274 5 20 IIBD Cc1nc(C)c([C@@H](C)N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCOC2)s1 461641777 SEGMVHDNOFTHKS-ZBFHGGJFSA-N 442.545 4.161 5 20 IIBD COc1ccccc1-c1ccc([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 462490726 BYQNQFLNWMJHBX-AWEZNQCLSA-N 430.457 4.449 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1C(=O)Nc1cc(C)ccc1OC 462617413 CHVJTOAXDBPJSA-RXVVDRJESA-N 439.512 4.110 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 462925314 LYEOREYEHCQPIB-SFHVURJKSA-N 443.931 4.192 5 20 IIBD COc1cc(CN[C@@H]2CCOc3c(F)ccc(F)c32)c([N+](=O)[O-])cc1OCC(F)(F)F 463041888 YWBGFTCDEMCMBV-CYBMUJFWSA-N 448.344 4.436 5 20 IIBD COc1ccc2c(c1)CCC[C@H]2CNC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 463938409 RTQQXORCDHDZMB-KRWDZBQOSA-N 430.526 4.082 5 20 IIBD COCc1nc(=NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])s[nH]1 466243292 GWBUYWGTCIQFOX-UHFFFAOYSA-N 436.902 4.072 5 20 IIBD COc1cccc(-c2noc([C@@H](C)NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2)c1 466443505 HTNAAZJKWKSSNK-OAHLLOKOSA-N 439.472 4.335 5 20 IIBD Cc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2F)nc1-c1ccc2c(c1)CCC(=O)N2 466618994 ODKYEXIOEOBWEV-UHFFFAOYSA-N 426.429 4.303 5 20 IIBD O=C([C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1CC=C(c2cccc(Cl)c2)CC1 477344868 CDCDOPFNXGSCBC-KRWDZBQOSA-N 445.928 4.230 5 20 IIBD COC(=O)C[C@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1ccc(C(F)(F)F)cc1 482158577 LLRMVHXSLVCEFH-HNNXBMFYSA-N 435.358 4.129 5 20 IIBD C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1nc(C(F)(F)F)cs1 486644246 HVQWRXXVJGISMR-LLVKDONJSA-N 428.436 4.164 5 20 IIBD Nc1c(C(=O)Nc2ccc(Cl)c(C(=O)NCc3ccccc3F)c2)cccc1[N+](=O)[O-] 486789417 UQHSTHXYXWRHJF-UHFFFAOYSA-N 442.834 4.152 5 20 IIBD CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 488383993 GHZAKNSKMCGUGJ-UHFFFAOYSA-N 427.383 4.078 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2ccnc(-c3ccccc3)n2)CC1 488865516 YEGKBJSNTZZROR-UHFFFAOYSA-N 449.536 4.126 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CC)[C@@H](c1ccc(C)cc1)n1cncn1 489131457 SPUBGVFTYMNYCV-TZIWHRDSSA-N 439.541 4.405 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(S(=O)(=O)N[C@H](C)CC)c1 489248522 DVMKBTMJOAYZRI-CYBMUJFWSA-N 437.543 4.036 5 20 IIBD CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 492394883 JRNLGYRIVMKXCD-UHFFFAOYSA-N 434.317 4.410 5 20 IIBD C[C@@H](C1CC1)N(C(=O)c1ccc(C(=O)N(C2CC2)[C@H](C)C2CC2)c([N+](=O)[O-])c1)C1CC1 494316883 UYNUGJFJDGPKAI-LSDHHAIUSA-N 425.529 4.401 5 20 IIBD O=C(Nc1c(O)c(Cl)cc(Cl)c1Cl)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 496878768 BAYGQJYJJFDEDI-UHFFFAOYSA-N 428.619 4.094 5 20 IIBD C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)Oc1ccccc1Br 498384165 SETOQKCZGSFMKL-GFCCVEGCSA-N 430.258 4.103 5 20 IIBD COc1ccc(CCNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c(Cl)c1OC 500505701 XMENJSQFUUADTM-UHFFFAOYSA-N 447.900 4.361 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@H](C)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 503430691 HHJZTCWWPMMCRV-HNNXBMFYSA-N 431.539 4.250 5 20 IIBD CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 504927003 MBJQAMVZYCOQCV-WBVHZDCISA-N 437.587 4.067 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@@H](c3ccccc3)c3nccs3)cc2)c(C)c1[N+](=O)[O-] 505076893 VYEGTRJWJZEIFM-FQEVSTJZSA-N 447.520 4.432 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@H]1OCC[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 507339985 KIEOCHSCIIETDD-UPVQGACJSA-N 446.507 4.060 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCc3ccccc3-n3ccnc3)cc2[N+](=O)[O-])C1 509077394 ASSSZYIYMJPJNT-ROUUACIJSA-N 433.512 4.193 5 20 IIBD Cn1cnnc1C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 509383184 AWBREZDIOBLRAX-UHFFFAOYSA-N 446.305 4.125 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCCCOC(F)F)c([N+](=O)[O-])c2)c(C)c1 509524114 DEYUDJCSWHJQKV-UHFFFAOYSA-N 429.445 4.054 5 20 IIBD CCCCc1nnc(NC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])s1 510208340 MUDJPZUNKRIIQR-UHFFFAOYSA-N 449.514 4.085 5 20 IIBD CCN1CCC[C@@H](CNC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 512079454 ZDZXTKVOWPARTL-INIZCTEOSA-N 441.553 4.009 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[C@H]2CCCC[C@@H]21 512699074 IFXFMWXUMTYNQI-WNMQOVRZSA-N 428.270 4.159 5 20 IIBD COc1ccc(-c2ccc(C)c(NC(=O)c3nnn(-c4cccc([N+](=O)[O-])c4)c3C)c2)cn1 513013968 CSMIMJRMIOHQGC-UHFFFAOYSA-N 444.451 4.115 5 20 IIBD C[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 518646697 CJPSJNYWOABNED-CQSZACIVSA-N 443.456 4.026 5 20 IIBD COC(=O)c1cc(C(=O)N2CCC[C@@H]2c2cccc(Br)c2)cc([N+](=O)[O-])c1 519067865 FPDJOEZOPMZSQL-QGZVFWFLSA-N 433.258 4.121 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)c1C 520842470 WZPWIBGEIXWDAT-UHFFFAOYSA-N 426.498 4.212 5 20 IIBD O=C(NCc1ccc(OC2CCCCC2)nc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 522221002 MMYRBCSOTUCPIY-UHFFFAOYSA-N 438.528 4.234 5 20 IIBD CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 522542996 CGUQIUSGCYEDCV-HOTGVXAUSA-N 435.933 4.052 5 20 IIBD C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 524865678 BIQWVBBGXFTTQL-QGZVFWFLSA-N 431.920 4.140 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1[N+](=O)[O-] 530756647 ZCFJLBWFADFSCF-INIZCTEOSA-N 436.512 4.231 5 20 IIBD COc1cc(CNCc2ncoc2-c2ccccc2)c([N+](=O)[O-])cc1OCC(F)(F)F 531661181 OGVYEYOOQJWUQA-UHFFFAOYSA-N 437.374 4.489 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cc(-c2nnc3n2CCCCC3)ccc1F 535353178 CMKVMEVQEIUUKG-UHFFFAOYSA-N 448.458 4.381 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 536292552 UEZAJPNTEWETGK-SCLBCKFNSA-N 438.452 4.277 5 20 IIBD Cc1cc(CCCC(=O)NCCCNc2ncnc3ccc([N+](=O)[O-])cc23)c(C)s1 537729604 BCSZNEFGLHAVRG-UHFFFAOYSA-N 427.530 4.157 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] 539143778 KHOVVTGXVUMOAI-SCLBCKFNSA-N 436.306 4.275 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnn(Cc3nc(Cc4cccc(Br)c4)no3)c2)c1 540858386 IRIUFHMGYHMCGP-UHFFFAOYSA-N 440.257 4.243 5 20 IIBD CCOc1ccc(-c2nc(Cc3nc(O)c4c(C5CC5)csc4n3)no2)cc1[N+](=O)[O-] 546276564 SQLBDCMXUNVHAW-UHFFFAOYSA-N 439.453 4.222 5 20 IIBD CC(C)NC(=O)Nc1ccc(-c2noc(-c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)n2)cc1 547116441 LNVIFSFXSCCAPN-UHFFFAOYSA-N 433.428 4.027 5 20 IIBD CCc1nc(C)c(NC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])s1 547967399 UPWQHFSHTKHQOK-UHFFFAOYSA-N 434.499 4.219 5 20 IIBD COc1cc(CN2CCO[C@@H](c3ccc(F)cc3F)C2)c([N+](=O)[O-])cc1OCC(F)F 548301016 XYVZBNSIKYGQQB-LJQANCHMSA-N 444.381 4.099 5 20 IIBD CCOC(=O)C(C)(C)C1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 553214598 FQNLGLOZERZLMR-UHFFFAOYSA-N 431.514 4.160 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 554062660 MCZYHZNRKKHRAW-UHFFFAOYSA-N 448.277 4.190 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2nc3cc(Br)ccc3n2CC)c1 554942401 JHHKYUOLWZYOPF-UHFFFAOYSA-N 447.289 4.056 5 20 IIBD CS(=O)(=O)c1ccc(N2CCCC[C@@H]2c2ncc(-c3ccccc3)[nH]2)c([N+](=O)[O-])c1 561308590 WLJJUGGWYIEOGI-LJQANCHMSA-N 426.498 4.120 5 20 IIBD CC[C@H](CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)OC 562231173 JYTJYZSITXKBDW-CRAIPNDOSA-N 436.306 4.052 5 20 IIBD C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 575203893 NBISFLPSFDBWKW-DLBZAZTESA-N 445.947 4.338 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2cc(C)ccn2)c([N+](=O)[O-])c1 580905712 WQNVDFULFWIBFI-UHFFFAOYSA-N 426.498 4.126 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H]2CCCCN(Cc3ccccc3)C2)c1 589485022 PPRPSRBZMVIVBV-OAQYLSRUSA-N 425.529 4.091 5 20 IIBD CC(C)(C)OC(=O)c1cccc(CNc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)c1 600846903 KUDGISRVAYZDKO-UHFFFAOYSA-N 431.464 4.138 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1 603501644 YIKSSSORKUMPSD-INIZCTEOSA-N 431.514 4.027 5 20 IIBD CCc1ccc([C@@H](NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C(C)C)cc1 603749417 FIRHCLMLSNOTEC-FQEVSTJZSA-N 444.557 4.083 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)NCCC(=O)Nc3ccccn3)cc2[N+](=O)[O-])cc1 603889855 ZTSAHNZXFLMNLC-UHFFFAOYSA-N 436.493 4.208 5 20 IIBD CCNc1ccc(C(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)cc1[N+](=O)[O-] 604006572 WKMSFZAOXMWHGP-UHFFFAOYSA-N 436.443 4.348 5 20 IIBD Cc1ccccc1NC(=O)[C@H]1CCc2ccccc2N1C(=O)COc1ccccc1[N+](=O)[O-] 608873111 VNTOSJLPBAONAA-JOCHJYFZSA-N 445.475 4.269 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C1CC1)[C@H](C)c1cccc(C(F)(F)F)c1 608878112 NFCYCQKLRHBLGE-UONOGXRCSA-N 449.429 4.484 5 20 IIBD CCCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCCN(Cc2ccccc2)C1 609102014 NURLNSVFVIBRPD-JOCHJYFZSA-N 425.529 4.338 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@H](C)C3CCN(C)CC3)c([N+](=O)[O-])c2)c(C)c1 609620304 PDIUIUCGIDIHLR-QGZVFWFLSA-N 446.573 4.155 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 609686750 BHNUGPUEPHOQEB-UHFFFAOYSA-N 429.864 4.418 5 20 IIBD CC(=O)N[C@@H](CC(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1)c1c(F)cccc1F 609858827 JOOZULSLFHCUOF-FQEVSTJZSA-N 431.439 4.416 5 20 IIBD COc1ccccc1-c1nc(C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])cs1 610052207 FSZBPXAIZZFBTK-UHFFFAOYSA-N 426.498 4.267 5 20 IIBD CC[C@@H](C)NC(=O)c1ccc(NC(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])cc1 610093644 MUHCSMAOXZFACO-MRXNPFEDSA-N 427.505 4.055 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc1SC 610597855 IEQCZPNUJFTIJK-DTORHVGOSA-N 432.342 4.138 5 20 IIBD CSc1cccc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2Br)c1 725985351 RFYNHPOLZYHCBD-JTQLQIEISA-N 439.287 4.263 5 20 IIBD O=C(CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(Br)cc1 726606799 NGOBRPFDMLGUPW-UHFFFAOYSA-N 430.258 4.346 5 20 IIBD CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)cc1 727712385 UULDMWLRSVZHMM-UHFFFAOYSA-N 445.884 4.326 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3ccc(N4CCOCC4)c(F)c3)cc2[N+](=O)[O-])CC1 727998390 GNCNCEXUQYQEKR-UHFFFAOYSA-N 442.491 4.059 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1SC 728649798 QLFYAJFSAMNIQA-AWEZNQCLSA-N 432.498 4.435 5 20 IIBD COC(=O)C1CCC(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)CC1 730107812 URJXOBGCLSMTFQ-UHFFFAOYSA-N 428.485 4.004 5 20 IIBD CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)OCc1cccc([N+](=O)[O-])c1C 730631411 OGLVOJRISPMXLF-HNNXBMFYSA-N 437.539 4.311 5 20 IIBD CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C(=O)CNc1ccccc1[N+](=O)[O-] 731026111 ZEKNUZGGVLVLHF-UHFFFAOYSA-N 440.500 4.011 5 20 IIBD O=C(Nc1ccccc1)Nc1cccc2c1CCN(c1nc3ccccn3c1[N+](=O)[O-])C2 731663270 PVHWIWRGYHMTBI-UHFFFAOYSA-N 428.452 4.449 5 20 IIBD CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)NCc3ccccc3[N+](=O)[O-])cc2C1 732434815 GAIXNHBAZDOLBK-UHFFFAOYSA-N 426.473 4.210 5 20 IIBD O=C(Oc1ccc(-c2noc(-c3cccnc3)n2)cc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 733693781 QEEUAPABSJUNEY-UHFFFAOYSA-N 427.376 4.407 5 20 IIBD CN1C(=O)CC[C@H](C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)[C@@H]1c1ccc(C(F)(F)F)cc1 734389112 NTBDFQPXFWZJRZ-KSSFIOAISA-N 439.365 4.301 5 20 IIBD C[C@@H](Oc1cccnc1)C(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 735422044 SXTVRXGJMQHKRJ-CYBMUJFWSA-N 441.827 4.268 5 20 IIBD COc1cc(N2CCC(OC(=O)Cc3cccc(Br)c3)CC2)ccc1[N+](=O)[O-] 739370813 PUAHHEWMSVEGPN-UHFFFAOYSA-N 449.301 4.121 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N2CCCC(C)(C)CC2)cc1 741641191 FSQWVIZSDKEUDE-UHFFFAOYSA-N 446.525 4.323 5 20 IIBD O=C(c1nc(NCc2ccco2)ncc1Cl)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 741956824 INMDUVIINVZZIN-GOSISDBHSA-N 445.888 4.131 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 741990834 ODUHDMQXJRLSAJ-DAYGRLMNSA-N 437.562 4.275 5 20 IIBD C[C@@H](OC(=O)c1ccccc1NC(=O)c1ccsc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 744616705 NPBWJPVITLJUKI-CYBMUJFWSA-N 439.449 4.093 5 20 IIBD Cc1cccc(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2I)c1 745100265 QXMXKKRLGTWPOZ-UHFFFAOYSA-N 438.265 4.215 5 20 IIBD CC[C@@H]1c2ccsc2CCN1C(=O)COC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 747120037 WDIWDPQHYCCGGE-OAHLLOKOSA-N 442.415 4.368 5 20 IIBD COCCOc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cc1 750844846 GDENKYNXOHDZJA-UHFFFAOYSA-N 429.654 4.288 5 20 IIBD COc1cccc2c1OCC[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 751230629 BRQNFGSRVBDQSH-IBGZPJMESA-N 425.485 4.093 5 20 IIBD Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1 751643298 OKCWFTYFDHKBPD-UHFFFAOYSA-N 444.806 4.439 5 20 IIBD Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1 751653036 STEBVSOQZQEINM-UHFFFAOYSA-N 440.843 4.478 5 20 IIBD CCOc1cc(NC(=O)N2CCN(c3ccc(C)cc3)CC2)c([N+](=O)[O-])cc1OCC 752451380 WUFREBJTALYRMC-UHFFFAOYSA-N 428.489 4.055 5 20 IIBD C[C@@H](OC(=O)c1cnn(C(C)(C)C)c1-c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] 753646900 QZNWNKQKOMMWLQ-OAHLLOKOSA-N 436.468 4.397 5 20 IIBD O=C(COC(=O)c1c[nH]nc1-c1cccc(Cl)c1)Nc1ccc([N+](=O)[O-])cc1Cl 756603044 PFOXIXLHMDTUSR-UHFFFAOYSA-N 435.223 4.087 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2c(F)cc(Br)cc2F)cccc1[N+](=O)[O-] 756605313 WUJSNIGJOFCGTH-VIFPVBQESA-N 443.200 4.128 5 20 IIBD C[C@H](OC(=O)CCc1cccc(OC(C)(C)C)n1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 759008256 DIASPGUFAXPGGA-ZDUSSCGKSA-N 449.891 4.324 5 20 IIBD Cc1cccc(-c2nc(CC(=O)O[C@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)cs2)c1 759955273 XALGEWPUBLRGOO-MSOLQXFVSA-N 426.498 4.493 5 20 IIBD COc1cc(Cc2noc([C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)ccc1[N+](=O)[O-] 762308777 MSKMKIXLPKYJKR-JTQLQIEISA-N 434.792 4.279 5 20 IIBD C[C@@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1cc(Cl)ccc1F 762988327 JEIPBUGJKCNASC-SNVBAGLBSA-N 426.803 4.374 5 20 IIBD CN(Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@H]1CCN(CC(F)(F)F)C1=O 769424107 RFQGJQNFLWSWMU-INIZCTEOSA-N 441.381 4.121 5 20 IIBD CCc1nc(-c2ccc(C(=O)O[C@@H](c3cccnc3)c3ccccc3[N+](=O)[O-])cc2)n[nH]1 770909939 WSECLHAPHACMDW-NRFANRHFSA-N 429.436 4.284 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 775172210 FJRSKFHJXHRBGL-MRXNPFEDSA-N 443.656 4.364 5 20 IIBD COc1cccc([C@@H]2[C@@H](C(=O)OCc3ccc(Cl)c([N+](=O)[O-])c3)CC(=O)N2C2CC2)c1 776324112 IDFJXGKPBIXZFG-LAUBAEHRSA-N 444.871 4.052 5 20 IIBD CNC(=O)c1cc(Oc2cccc(OC(=O)c3cccc(SC)c3[N+](=O)[O-])c2)ccn1 776882621 OIHQDKIEZDPMDZ-UHFFFAOYSA-N 439.449 4.083 5 20 IIBD CSc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)c1[N+](=O)[O-] 777074255 SPEJSQZNDLSUAE-JTQLQIEISA-N 426.397 4.102 5 20 IIBD CC1=C(C(=O)N(C)C)[C@H](c2ccc([N+](=O)[O-])cc2F)NC(=S)N1c1ccccc1Cl 777941164 AFSKRJINGJLLJQ-SFHVURJKSA-N 448.907 4.185 5 20 IIBD Cc1nc(CCC(=O)O[C@H]2CCN(c3ccc([N+](=O)[O-])cc3F)C2)oc1-c1ccccc1 778800876 GXNHIKHTOMAJNN-SFHVURJKSA-N 439.443 4.452 5 20 IIBD CN(C[C@H]1CCCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)OC(C)(C)C 780824908 KHBVKFHADCYKQN-QGZVFWFLSA-N 435.524 4.153 5 20 IIBD CC(C)[C@H](OC(=O)c1cccc([N+](=O)[O-])c1Br)C(=O)N(C)c1ccccc1 781678976 UXBGYACPLQBXGW-KRWDZBQOSA-N 435.274 4.202 5 20 IIBD C[C@@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccc(OCc2cccnc2)cc1 782530603 JFJWBWCEASNVOX-MRXNPFEDSA-N 438.459 4.387 5 20 IIBD COC(=O)c1ccc(CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c(Br)c1 785860863 JRSOIXIOXJXPHS-UHFFFAOYSA-N 436.262 4.082 5 20 IIBD CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 787606936 SJQTWHUYRWNZRK-OAHLLOKOSA-N 431.411 4.019 5 20 IIBD CSc1cccc(C(=O)N2CCC(CNC(=O)OCc3ccccc3)CC2)c1[N+](=O)[O-] 787789379 YFDAMQNOMBOMDP-UHFFFAOYSA-N 443.525 4.095 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)OCC[C@H](C)OCc2ccccc2)ccc1[N+](=O)[O-] 789040689 QJIDYYSUHUQXKJ-AVRDEDQJSA-N 440.496 4.046 5 20 IIBD COc1cc(CN(C)C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])ccc1OC(F)F 790463411 SMMKUBQGLCHHQU-UHFFFAOYSA-N 432.782 4.198 5 20 IIBD Cc1c(CNC(=O)c2cccn2C2CCN(C(=O)OC(C)(C)C)CC2)cccc1[N+](=O)[O-] 791021277 NMXLLMWMEVCBRC-UHFFFAOYSA-N 442.516 4.207 5 20 IIBD CCOCCC1(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCCC1 791244481 LIWMVYPWRVHYOS-UHFFFAOYSA-N 425.323 4.229 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)O[C@H](C)c1nc(-c2cccnc2)no1 792473296 DATBYVUMGHMMLK-SNVBAGLBSA-N 433.218 4.029 5 20 IIBD C[C@@H](CN(C)C(=O)OC(C)(C)C)c1noc(-c2cc([N+](=O)[O-])ccc2N2CCCC2)n1 795735255 DSSIRBDVCFFWQA-AWEZNQCLSA-N 431.493 4.215 5 20 IIBD CCc1onc(-c2ccccc2)c1C(=O)O[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 795928458 AIOVSFGZVMKPSI-LBPRGKRZSA-N 427.388 4.135 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)c2cscn2)cc1[N+](=O)[O-] 805331584 ONOGNSOGUCOSKC-UHFFFAOYSA-N 442.474 4.044 5 20 IIBD O=C(CCCc1ccccc1)N[C@@H]1CCCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 806121278 QMLCEFXQLYSZKG-GOSISDBHSA-N 444.919 4.384 5 20 IIBD C[C@@H](OC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccc(SCC(=O)N(C)C)cc1 809070361 MQJHRWZFBQYDDR-CYBMUJFWSA-N 438.452 4.171 5 20 IIBD O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc(Cc3ccc(Oc4ncccn4)cc3)no2)c1 809368912 SICCYFOIINQOMJ-UHFFFAOYSA-N 444.451 4.418 5 20 IIBD O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(OCC(F)(F)F)cn1 811218851 GFPMHMCXJLLQJW-UHFFFAOYSA-N 439.371 4.411 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@H](C)OC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811374323 FXKCXDUVQRJODT-JTQLQIEISA-N 427.240 4.403 5 20 IIBD COCCn1c(N[C@@H](C)[C@H](OC)c2ccccc2Cl)nnc1-c1cccc([N+](=O)[O-])c1 812091158 COKSKRAEPAXTDD-LIRRHRJNSA-N 445.907 4.341 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(-c3ccc4nc(-c5cscn5)[nH]c4c3)no2)cc([N+](=O)[O-])c1 812820541 WXKBOLCDZJWNFZ-UHFFFAOYSA-N 435.381 4.220 5 20 IIBD CC(C)[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1nc(-c2ccncc2)no1 812961930 KRMWPRYCENLEBR-CQSZACIVSA-N 436.255 4.474 5 20 IIBD Cc1cc(NC(=O)c2cnc(Cl)c(Br)c2)n(-c2ccc([N+](=O)[O-])cc2)n1 813395351 VLHFGZPTQUFYDU-UHFFFAOYSA-N 436.653 4.152 5 20 IIBD CN(c1ccc(Br)cc1F)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] 814997985 NWTNDULLEMCMDG-UHFFFAOYSA-N 441.637 4.114 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(CNc3cccc(Br)c3[N+](=O)[O-])cc2)C[C@@H](C)O1 820640665 VYTYFSWPNIBNSV-ZIAGYGMSSA-N 448.317 4.219 5 20 IIBD CC(C)[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)N[C@@H]1CCOc2ccccc21 877043384 HRJFHWBOHFTENB-MJGOQNOKSA-N 432.860 4.070 5 20 IIBD CN1c2ccccc2C(=O)N(Cc2ccco2)C12CCN(c1ccc([N+](=O)[O-])cc1)CC2 877845695 KLDBLCMAPDGTNG-UHFFFAOYSA-N 432.480 4.277 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N2CCc3ccccc32)cc1 915250359 RTJFMWOZNXFEGV-UHFFFAOYSA-N 448.431 4.142 5 20 IIBD O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)N1CCO[C@@H](c2ccc(F)cc2)C1 917170723 ARPCBXGCPMPOFS-MRXNPFEDSA-N 433.486 4.036 5 20 IIBD Cc1oc(-c2ccccc2)nc1CC(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 918941967 XTEMFDCHMSAZPH-ZDUSSCGKSA-N 443.843 4.325 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1[N+](=O)[O-])c1ccccn1 919703116 SCWOZMVKQYQWRM-CQSZACIVSA-N 433.424 4.274 5 20 IIBD C[C@H](OC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccccc1Br 920514784 UEOBSXDMPRZIGM-LBPRGKRZSA-N 449.257 4.350 5 20 IIBD CC(C)Oc1cccc(CC(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 921101449 RAXVWQTYHIRFHQ-UHFFFAOYSA-N 440.374 4.125 5 20 IIBD COc1ccc(NC(=O)N[C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)c([N+](=O)[O-])c1 1263627640 RJTYCKAKNJCLRL-BTYIYWSLSA-N 429.473 4.050 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@H](C)c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] 1319648063 JWUYWQWHDNZISU-BFUOFWGJSA-N 433.867 4.178 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)C1CCN(Cc2ccc([N+](=O)[O-])cc2Br)CC1 1320712878 QUXCDPSNHQYTLL-ZDUSSCGKSA-N 442.354 4.483 5 20 IIBD COc1cc(OCC(=O)N2CCc3cc(-c4csc(C)n4)ccc32)ccc1[N+](=O)[O-] 1321100067 SWLGEEDIKOEJFP-UHFFFAOYSA-N 425.466 4.003 5 20 IIBD COc1cc(C(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)ccn1 1323582399 FMODXSWCZZDWGE-UHFFFAOYSA-N 427.800 4.123 5 20 IIBD CC(=O)NCc1ccc(-c2csc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])n2)cc1 1324645661 IYVIKRGFBNTZSG-UHFFFAOYSA-N 438.509 4.271 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC(c2nnc(-c3cccc([N+](=O)[O-])c3)o2)CC1 1345623968 KJPHOPQZRASPOV-UHFFFAOYSA-N 442.859 4.327 5 20 IIBD CC/C=C(\C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCc1cc(C)c(F)cc1[N+](=O)[O-] 1793405440 SHLBODVENGFDPF-GDOPKQDQSA-N 445.535 4.360 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(F)c1[N+](=O)[O-])c1cccc(F)c1Cl 1800532511 ORMNTKGWMIAJNN-CLLJXQQHSA-N 449.841 4.092 5 20 IIBD CCCC(=O)N1CCCC2(CCN(C(=O)C3(c4cccc([N+](=O)[O-])c4)CCC3)CC2)C1 1809119334 ZHCQXHXFINAENG-UHFFFAOYSA-N 427.545 4.048 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3ccoc3c2)[nH]n1)c1ccc([N+](=O)[O-])o1 1814311219 AYXSAFFEQYUSDQ-INIZCTEOSA-N 449.423 4.277 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2C2CC2)[nH]n1)c1ccc([N+](=O)[O-])o1 1814313322 HTZCZJCSLXPKSV-GOSISDBHSA-N 449.467 4.408 5 20 IIBD CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CSc2ccccc2[N+](=O)[O-])CC1 1826398354 GBMJXCAKCVFUAY-SFHVURJKSA-N 433.574 4.107 5 20 IIBD Cc1cc(C(=O)CCC(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)s1 9841702 DTIAAWSJUBSGCP-NSHDSACASA-N 438.889 4.460 5 20 IIBD O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])Nc1ccc(Br)cc1Cl 10943171 SICFYUDTUQSVEK-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD Cc1csc(Sc2ccc(C(=O)O[C@@H](C(N)=O)c3ccc(F)cc3)cc2[N+](=O)[O-])n1 11737769 OEZUUOMZQNIDFG-MRXNPFEDSA-N 447.469 4.033 5 20 IIBD CC(=O)CCc1ccc2oc(C(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)c(C)c2c1 18076976 QCTYYKJVEXIHJM-UHFFFAOYSA-N 435.480 4.133 5 20 IIBD COc1ccccc1Nc1nnc(S[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])s1 21738273 IDRWNDMEEOBECA-LLVKDONJSA-N 431.499 4.318 5 20 IIBD COc1ccc(OCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)c([N+](=O)[O-])c1 24636440 DCJWBBRLXRZVPB-MRXNPFEDSA-N 443.506 4.483 5 20 IIBD Cc1ccccc1-c1csc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)n1 31789252 IBHDURCFHBZFTD-UHFFFAOYSA-N 438.465 4.354 5 20 IIBD COc1ccc(Cn2nccc2NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 64908933 DPBZKNOEKPEVDD-UHFFFAOYSA-N 435.465 4.224 5 20 IIBD CC(C)(C)OC(=O)NC1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 71968443 AKUWYOJALQPLKQ-UHFFFAOYSA-N 425.485 4.319 5 20 IIBD CCc1cc(N2CCN(C(=O)CC3CCCCC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 110199365 SFLSZHZFSFOFGM-UHFFFAOYSA-N 437.544 4.233 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 301088795 IKDDZILGOKMVJL-UHFFFAOYSA-N 430.386 4.124 5 20 IIBD CNS(=O)(=O)c1cccc([C@@H](C)Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])c1 301144136 IJIGMDGPBZLSME-SECBINFHSA-N 437.827 4.348 5 20 IIBD Cc1ccc(C(=O)NC2CCN(c3cc(C)c([N+](=O)[O-])cc3Br)CC2)s1 302684328 QCIALJBFTQQIGS-UHFFFAOYSA-N 438.347 4.434 5 20 IIBD Cc1nn(CCC(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)c(C)c1[N+](=O)[O-] 303151220 NSELWSRNJPTBMV-CVOKNGKCSA-N 430.508 4.212 5 20 IIBD COC[C@H](C)n1ccc(NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])n1 426389089 CRDQRMCUHDUSCA-ZDUSSCGKSA-N 446.916 5.056 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](c2cccc(C)c2)C(C)(C)C)cc1OC 427940731 XNERPAHEYCQVTC-OAQYLSRUSA-N 430.501 4.454 5 20 IIBD CCN(C[C@@H](O)C(F)(F)F)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 428496344 FIZZXRFXPXKPCL-MRXNPFEDSA-N 432.782 4.426 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@H](OCCCc2ccccc2)C1 430440082 RHKXAZPVSNFMCL-KRWDZBQOSA-N 433.302 4.221 5 20 IIBD C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1nc(-c2cccc(F)c2)no1 430614416 ZAPPJOPSNXDXOS-VIFPVBQESA-N 435.209 4.037 5 20 IIBD C[C@@H](OCCCNC(=O)COc1c(Br)cccc1[N+](=O)[O-])c1ccccc1 431239800 YBZSJFSTBYRBFG-CQSZACIVSA-N 437.290 4.020 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1cccc(OCc2ccccc2)c1 434043866 WJPXKDSEMSUDEU-MSOLQXFVSA-N 447.491 4.170 5 20 IIBD CSC[C@@H]1CCCN1C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435834182 IKNORDAFFWLMRT-ZDUSSCGKSA-N 437.568 4.100 5 20 IIBD Cc1nn([C@@H](C)C(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)cc1[N+](=O)[O-] 436473042 CTDPWNWJYINMFM-GUYCJALGSA-N 427.848 4.285 5 20 IIBD CN(C)C[C@@H]1CCc2ccccc2N1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 436718588 ARUWSIIKDCSCKG-FQEVSTJZSA-N 425.532 4.064 5 20 IIBD CC(C)(C)Oc1c(F)cc(NC(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1F 437033986 PAZNQWVHWCLYOT-UHFFFAOYSA-N 447.438 4.180 5 20 IIBD O=C(Nc1ccccc1Cc1ccccc1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 437048075 BVXFSCYKCLTEKN-UHFFFAOYSA-N 429.476 4.315 5 20 IIBD CCC[C@]1(C)CCCN(C(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 437370114 GKNPOYXJAWAHRE-JOCHJYFZSA-N 445.541 4.438 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 437488548 DIPJTIROYOHQMR-SJORKVTESA-N 431.920 4.139 5 20 IIBD COc1cc(C(=O)N2CCS[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1OCc1cscn1 438046065 WICRBNNQJUQCKW-KXBFYZLASA-N 449.554 4.139 5 20 IIBD Cc1ccc(CN(Cc2ccco2)C(=O)N=c2cc[nH]cc2[N+](=O)[O-])c(Br)c1 441766673 NTNMQKOXHDFHIP-UHFFFAOYSA-N 445.273 4.310 5 20 IIBD COc1cc(CN(C)Cc2cnc(C(C)C)nc2)c([N+](=O)[O-])cc1OCC(F)(F)F 443067498 LTCHWYPSZAZLOU-UHFFFAOYSA-N 428.411 4.090 5 20 IIBD Cc1ccc2oc(-c3nnc(NS(=O)(=O)c4c(C)cc([N+](=O)[O-])cc4C)o3)cc2c1 443159934 MYMIICMFWOKKHC-UHFFFAOYSA-N 428.426 4.117 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(-c3ccc(SCc4cn5ccccc5n4)cc3)n2)n1C 445602723 WNFYNIIXWVHUDB-UHFFFAOYSA-N 447.480 4.294 5 20 IIBD COc1ccc([C@@H](C)NC(=O)Cc2noc([C@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)cc1 445806393 VJTLCXPCBXLFNZ-KGLIPLIRSA-N 442.497 4.260 5 20 IIBD C[C@@H]1CCCCN1C[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 445993022 MGZHXKYGNPDFOR-CVEARBPZSA-N 438.366 4.013 5 20 IIBD O=C(CCN1C(=O)CCc2ccccc21)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] 446436132 LOLPKBVXJCKYBJ-UHFFFAOYSA-N 445.475 4.482 5 20 IIBD O=C(Nc1ccc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1)c1ccc(F)cc1 447546032 ZRUTZDIYQZJMKG-LEWJYISDSA-N 437.475 4.456 5 20 IIBD COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] 463496230 LHCIGTPICMHMNT-INIZCTEOSA-N 448.317 4.166 5 20 IIBD CCO[C@H](C)c1noc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)n1 464032069 CBLMXGUSASJBEI-CQSZACIVSA-N 426.429 4.140 5 20 IIBD Cc1nc2sccn2c1CN(C)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 464810218 PMSKULYBBIITBS-UHFFFAOYSA-N 435.509 4.497 5 20 IIBD COc1cc(C(=O)N2CC[C@@]3(CCOC3)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 465097537 WXHSAPSLOXCXSA-OAQYLSRUSA-N 432.860 4.302 5 20 IIBD COc1cc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)ccc1[N+](=O)[O-] 469006105 QUXFCMSWOQZTPR-UHFFFAOYSA-N 435.845 4.245 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CC[C@@H](c2c(F)cccc2F)C1 469371200 KTLLSHCJJAQKKJ-LLVKDONJSA-N 430.329 4.444 5 20 IIBD CCOC(=O)[C@](C)(CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 470153308 YCIDSLNXQQJVGG-JOCHJYFZSA-N 425.510 4.329 5 20 IIBD COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br 470577929 YTPOVJTURNPZBB-QGZVFWFLSA-N 441.709 4.399 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(C(=O)NCc2ccc(C)cc2)c1 470842641 VDIKHGVXMVURNM-UHFFFAOYSA-N 447.491 4.162 5 20 IIBD COc1cc(OCC(=O)N(Cc2ccc3c(c2)OCO3)C2CCCCC2)ccc1[N+](=O)[O-] 476871085 ILZAGBGTRCNWNU-UHFFFAOYSA-N 442.468 4.072 5 20 IIBD Cc1cn(-c2cccc(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)c2)c(O)n1 477813607 VNYXINNMGRPADM-UHFFFAOYSA-N 446.413 4.412 5 20 IIBD COC(=O)c1ccc(C(F)(F)F)nc1SCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 478718692 DSGLHTRSXFHFRG-UHFFFAOYSA-N 440.359 4.138 5 20 IIBD C[C@H]1CN(Cc2ccccc2NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C[C@@H](C)O1 482903467 XGQMLOVCCOCUHM-HDICACEKSA-N 438.528 4.401 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)cc([N+](=O)[O-])c1 483440299 QIYPSQBNSULDNI-UHFFFAOYSA-N 448.410 4.240 5 20 IIBD Cc1nc2ccc(Br)cn2c1C(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 484101711 QOFJEOHMHGULDI-UHFFFAOYSA-N 426.230 4.114 5 20 IIBD CC(=O)Nc1ccc(F)c(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 484374056 QDUURUWYPAQKOV-UHFFFAOYSA-N 431.367 4.442 5 20 IIBD Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1n[nH]cc1[N+](=O)[O-] 486011197 BDNWJPQAQDZCEK-UHFFFAOYSA-N 433.346 4.150 5 20 IIBD CCOc1cc(CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])ccc1OC(F)F 486300492 SWXLKSZXIALFRQ-UHFFFAOYSA-N 443.834 4.290 5 20 IIBD CN(C[C@H]1CCOC1)C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 487989085 OLUIWONEULYSOV-CYBMUJFWSA-N 429.523 4.464 5 20 IIBD COc1ccccc1-c1cccc(NS(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)c1 488218129 KOFLZNFVHYBEGA-UHFFFAOYSA-N 432.429 4.219 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 488391505 ATSDPCPVFMDVLZ-UHFFFAOYSA-N 438.918 4.108 5 20 IIBD Cc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1S(=O)(=O)N1CCCCC1 490956705 AXUDSLKWZUPWCX-UHFFFAOYSA-N 443.481 4.076 5 20 IIBD CCOc1cc(CSc2nc3ccccc3c(=O)n2Cc2cccnc2)ccc1[N+](=O)[O-] 491897069 YWVCZWFGRQCQLX-UHFFFAOYSA-N 448.504 4.439 5 20 IIBD O=C(Nc1cc(Cl)ccc1N1CCOCC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 494243351 ZNKKVUKWXVUKQV-UHFFFAOYSA-N 430.892 4.281 5 20 IIBD O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCO[C@@H](c2ccc(Br)cc2)C1 497636899 GKLLELGJXOQQGX-OAHLLOKOSA-N 425.666 4.224 5 20 IIBD CCNc1ccc(C(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)cc1[N+](=O)[O-] 499961143 DOQMNYQAFKGGJI-UHFFFAOYSA-N 439.516 4.093 5 20 IIBD COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2ccccc2[N+](=O)[O-])cc1 500803540 UQOZVIZOTHUESO-UHFFFAOYSA-N 442.475 4.445 5 20 IIBD O=C(NCCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cccc(Br)c1 500902132 RCUOLSMCRKPSEK-UHFFFAOYSA-N 444.285 4.137 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@H](Oc2ccccc2Cl)C1 504693085 YTFDBQWOJWURLW-SFHVURJKSA-N 426.860 4.118 5 20 IIBD CCOc1cc(C(=O)N[C@H](c2ccc(OC)cc2)C(F)(F)F)c([N+](=O)[O-])cc1OC 505387535 MLOCANQZSCTIJJ-QGZVFWFLSA-N 428.363 4.044 5 20 IIBD O=C(NC[C@H]1CC(=O)N(C2CC2)C1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 508116908 HWKCPGHWQLFAEH-CYBMUJFWSA-N 445.928 4.140 5 20 IIBD Cc1c(NC(=O)[C@H]2CCO[C@@H]2c2ccnn2C(C)C)cc(Br)cc1[N+](=O)[O-] 511447062 RWMACZNAZHNBDC-GUYCJALGSA-N 437.294 4.159 5 20 IIBD O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 511822216 IYQXIWZYHNHQER-INIZCTEOSA-N 432.402 4.099 5 20 IIBD CN(C(=O)c1ccccc1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCCCC1 515657435 WMCXDHTXWXZAAD-UHFFFAOYSA-N 436.512 4.001 5 20 IIBD CNC(=O)c1cc([N+](=O)[O-])ccc1NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 518263169 YRPGRYGPBUTKRG-UHFFFAOYSA-N 437.327 4.338 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)c(Cl)c1 518323899 DHBVLMPGPOLEGU-UHFFFAOYSA-N 442.884 4.447 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2ccc(-c3ccccc3)cn2)c1 521026238 DTMZUUWSPXOVKI-UHFFFAOYSA-N 434.271 4.220 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2c(C)cnn2[C@H]2CCCc3ccccc32)c1C 521659340 YQPAUZRRBVRZCJ-FQEVSTJZSA-N 440.525 4.443 5 20 IIBD CCCC[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 521835916 YOJGSUFOQZMTPA-OAQYLSRUSA-N 442.491 4.261 5 20 IIBD O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 523749228 RICMFQBFOXIVSC-JGCGQSQUSA-N 447.472 4.409 5 20 IIBD O=C(NCCOC[C@H]1CCCO1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 523756478 SXXLHUOXDUBDRV-MRXNPFEDSA-N 436.917 4.325 5 20 IIBD COc1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1NC(=O)C1CCCCC1 523830305 OOKISYLKKPNUMZ-UHFFFAOYSA-N 427.457 4.383 5 20 IIBD COC(=O)c1ccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c(OCC(F)(F)F)c1 524413338 AJITXNLAGVCKOO-UHFFFAOYSA-N 437.330 4.056 5 20 IIBD Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NS(=O)(=O)c1cccnc1[N+](=O)[O-] 525174641 FLKUJINBDUMYRA-NSHDSACASA-N 438.918 4.115 5 20 IIBD Cc1ccc(Nc2nc(CN3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)cs2)cc1 533071597 VKKSENKLULHGPE-UHFFFAOYSA-N 437.525 4.061 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CS(=O)(=O)Cc3csc(-c4ccoc4)n3)co2)cc1 534060604 OFKAYRWAUASJHR-UHFFFAOYSA-N 431.451 4.081 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](c1ccc(Br)cc1)C1CCC1 537075564 WXKGRHYXBVRWLJ-HXUWFJFHSA-N 448.317 4.435 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(F)ccc1N1CCOCC1 537420535 SFPLEKIKUAHVNC-UHFFFAOYSA-N 447.532 4.393 5 20 IIBD COc1cc(CNc2ccc([S@@](C)=O)c(F)c2)c([N+](=O)[O-])cc1OCC(F)(F)F 538820496 PEZKCQYIWYMGQJ-GDLZYMKVSA-N 436.383 4.033 5 20 IIBD CC(=O)Nc1ccc(-c2csc(NC(=O)CCOc3cc(C)ccc3[N+](=O)[O-])n2)cc1 539513292 VHNWPHYNDSHDNH-UHFFFAOYSA-N 440.481 4.393 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cnn(-c2cccc(C)c2)c1C(F)(F)F 543189203 AIDXWSZVTCXUBP-UHFFFAOYSA-N 434.374 4.046 5 20 IIBD C[C@@H](C(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl)c1ccc([N+](=O)[O-])cc1F 543456337 YNBDUQCSVIQYEQ-SNVBAGLBSA-N 449.788 4.490 5 20 IIBD Cc1ccc(-c2noc([C@H]3CCCN(C(=O)CCOc4ccccc4)C3)n2)cc1[N+](=O)[O-] 546279077 DOEKKLCNTROENA-SFHVURJKSA-N 436.468 4.128 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3nc(-c4ccccc4CN4CCOCC4)no3)cs2)cc1 546296869 ISKFZEZVAKYUAR-UHFFFAOYSA-N 449.492 4.268 5 20 IIBD COc1ccccc1N(C(C)=O)c1nc(CN(C)CCc2cccc([N+](=O)[O-])c2)cs1 549157149 WJKIHFKPVAMJDR-UHFFFAOYSA-N 440.525 4.419 5 20 IIBD C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1 551230632 ALUBGNVLIBLFKP-NSXGMPHASA-N 434.496 4.013 5 20 IIBD COc1cc(CN2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)c([N+](=O)[O-])cc1OC(F)F 556084310 VRILAPRWEVDDIP-NOVWEMISSA-N 428.476 4.356 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CN[C@@H]2COc3ccc(Cl)cc32)c1 558484354 AWCMWYRCLXZQFX-CQSZACIVSA-N 430.629 4.076 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])c1nnc(-c2cccc3cccnc23)n1C[C@@H]1CCOC1 559173300 SWELSEOJWWWIHE-KRWDZBQOSA-N 444.495 4.074 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1 562113565 MVAWAAVESYOERY-HXUWFJFHSA-N 432.908 4.006 5 20 IIBD CC(C)[C@](C)(Cc1ccc(Cl)cc1)NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 567137323 DUAYSTOZGAPLFX-NRFANRHFSA-N 449.960 4.213 5 20 IIBD O=C(Nc1ccccc1OCc1cc(I)cc([N+](=O)[O-])c1)C1CC1 574265945 NWBMHIMEYROVDQ-UHFFFAOYSA-N 438.221 4.127 5 20 IIBD NC(=O)c1ccnc(N[C@H](c2cccc(F)c2)c2cccc(Br)c2)c1[N+](=O)[O-] 577114480 CASGWYCBEZEHPA-INIZCTEOSA-N 445.248 4.192 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)NCc2ccc3sccc3c2)cc1[N+](=O)[O-] 589466368 GIGJDCKZKDTIOV-UHFFFAOYSA-N 425.495 4.019 5 20 IIBD CCOC(=O)c1c(NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)sc(C)c1C 603564754 ZGCNUYSEKWHGPG-UHFFFAOYSA-N 438.527 4.330 5 20 IIBD O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 603572790 GPKYCSRSZYUXBP-RKDXNWHRSA-N 442.312 4.005 5 20 IIBD CCOc1cc(C(=O)NCc2ccc(OC3CCCC3)c(OC)c2)c([N+](=O)[O-])cc1OC 603693116 NUOZVWFOAJJJIQ-UHFFFAOYSA-N 444.484 4.262 5 20 IIBD COc1ccc(CNC(=O)[C@H](Oc2ccccc2Br)C(C)C)cc1[N+](=O)[O-] 604018300 SJKBYBAASNRDEU-GOSISDBHSA-N 437.290 4.086 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(N3c4ccccc4C[C@@H]3C)CC2)cc1OC 604482394 DEALNFANTQXEGN-INIZCTEOSA-N 439.512 4.058 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H](C)c1ccccc1Br 604492758 KTYHQURROALFGR-CYBMUJFWSA-N 436.306 4.388 5 20 IIBD O=C(NCc1ccc(Br)c(F)c1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 604500514 OZZSHAPRIXQZRM-UHFFFAOYSA-N 434.168 4.420 5 20 IIBD CC(C)[C@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1cccc(C(F)(F)F)c1 609443709 CLHVMVSFALCHQZ-SFHVURJKSA-N 433.390 4.321 5 20 IIBD CC[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(F)cc1F 609977124 JGHHMZSHOXNKNQ-UYAOXDASSA-N 431.439 4.054 5 20 IIBD O=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccc([N+](=O)[O-])cc1Br 610041300 CIGLBMBTZSXBDZ-UHFFFAOYSA-N 438.241 4.319 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)c2ccc(Cl)s2)CC1 610046729 BIPHCTBZEWUAQZ-UHFFFAOYSA-N 449.960 4.301 5 20 IIBD O=C(NC1CCN(CCOc2ccc(F)cc2)CC1)c1cc2cc([N+](=O)[O-])ccc2s1 610111948 MOXVNQSFTAISLT-UHFFFAOYSA-N 443.500 4.222 5 20 IIBD O=C(c1ccccc1)c1ccc(N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)c([N+](=O)[O-])c1 610116470 AZDLZNQKBUBQSN-XZOQPEGZSA-N 445.519 4.121 5 20 IIBD O=C(c1ccc(Cl)c(N2CCCC2=O)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 610305518 UTQWNNYBSJMEIY-UHFFFAOYSA-N 443.887 4.059 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(C)c2cccc([N+](=O)[O-])c2)cc1 611090745 OHLHOUVWPONAMO-UHFFFAOYSA-N 439.493 4.087 5 20 IIBD C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N(C)c2cccc([N+](=O)[O-])c2)cc1 611090749 QHCUPOIPBIHAQH-IAGOWNOFSA-N 425.485 4.040 5 20 IIBD CN(C)S(=O)(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)c1 611199144 XISGUSCUSPEWPY-UHFFFAOYSA-N 449.554 4.132 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CC[C@H](OCc2ccncc2)C1 611206367 FGDAJGZXPLHITH-SFHVURJKSA-N 427.526 4.456 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCC[C@H](C[C@@H]3CCOC3)C2)cc1[N+](=O)[O-])c1ccccn1 611355792 JFTBIPQNCWWELJ-OTWHNJEPSA-N 438.528 4.442 5 20 IIBD CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1ccc(C(=O)NC2CC2)cc1 619849578 DIJVXLDLCNPLTK-UHFFFAOYSA-N 448.527 4.038 5 20 IIBD Cc1csc(-c2cccc(OC(=O)[C@@H]3CC(=O)N(c4ccc(F)c([N+](=O)[O-])c4)C3)c2)n1 726369079 XNFDWMDIZDRATR-CQSZACIVSA-N 441.440 4.124 5 20 IIBD CC(C)(C)Cc1cc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n(-c2ccccc2)n1 727252507 FEOBZQWHUSSPHY-UHFFFAOYSA-N 432.477 4.309 5 20 IIBD COc1ccc([C@H](OC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)n2cccn2)cc1 729801470 BHQSKQVPBPERFD-KSFYIVLOSA-N 447.451 4.145 5 20 IIBD Cc1cnn([C@H]2CCCc3ccccc32)c1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 730417789 SOMFHSYRYCDPLC-SFHVURJKSA-N 446.916 4.480 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1ccccc1SCC(F)(F)F 731602745 LDWAWQSDSWGVEH-UHFFFAOYSA-N 444.387 4.088 5 20 IIBD Cc1ccc(C(=O)N[C@H](CC(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 731723393 ZQRZFYZICJXBFV-JOCHJYFZSA-N 446.459 4.191 5 20 IIBD CC(C)(C)OC(=O)NC[C@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C1CCCCC1 732019827 MMNQLYIFUUSQHU-INIZCTEOSA-N 427.448 4.076 5 20 IIBD O=C(Nc1nc(-c2ccc(F)cc2)ns1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 732943536 QPPBBRKZMCJQIR-UHFFFAOYSA-N 427.461 4.108 5 20 IIBD O=C(OCc1csc(C2CCCC2)n1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 733556597 IUIGZWLFFKDCNW-CQSZACIVSA-N 435.527 4.118 5 20 IIBD COc1ccc(Cl)cc1N(C)C(=O)c1cc([N+](=O)[O-])ccc1I 733939316 URZAIBJGWSMLRV-UHFFFAOYSA-N 446.628 4.138 5 20 IIBD CN1C(=O)CC[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 737372613 DMHWLTVDZVWVPN-KXBFYZLASA-N 436.386 4.380 5 20 IIBD C[C@@H](OC(=O)c1coc(-c2ccccc2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 738842749 YBTHEZGIEAIGIR-LLVKDONJSA-N 449.341 4.453 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O 740680276 PCYXNBXTHHABRE-UHFFFAOYSA-N 442.642 4.098 5 20 IIBD CCO[C@@H]1C[C@@H](Nc2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])C12CCCC2 742425743 FRVNGNXERAOYSO-CHWSQXEVSA-N 444.282 4.424 5 20 IIBD Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1NC(=O)OC(C)(C)C 745454814 VBPGNZRNPJTKDI-AWEZNQCLSA-N 443.456 4.434 5 20 IIBD Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C1/N=C(c2cccc([N+](=O)[O-])c2)OC1=O 746272324 CEFZEFOVUMMURL-LICLKQGHSA-N 426.791 4.226 5 20 IIBD Cc1c(CC(=O)N2CCC([C@H]3CCCN3C(=O)OC(C)(C)C)CC2)cccc1[N+](=O)[O-] 747826723 LHIXRTKVYBZYSU-HXUWFJFHSA-N 431.533 4.084 5 20 IIBD COc1ccc(CN(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)c(OC)c1 749411449 XEEKBOJKXGGLGA-UHFFFAOYSA-N 443.681 4.300 5 20 IIBD O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cccc(Cl)c1[N+](=O)[O-] 749998676 WCWIPCBEWQAZCW-LLVKDONJSA-N 429.782 4.156 5 20 IIBD C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1cccc([N+](=O)[O-])c1 750841539 HGLWCRPUPVGCOM-QMMMGPOBSA-N 428.626 4.410 5 20 IIBD O=C(CCCOc1ccccc1Br)OCc1nc2cc([N+](=O)[O-])ccc2o1 751648341 PWLXNOPDBQJIIA-UHFFFAOYSA-N 435.230 4.401 5 20 IIBD Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2Br)c(OC[C@@H]2CCCO2)c1 753801302 DWKPTMDQOBYHPS-ZDUSSCGKSA-N 435.274 4.476 5 20 IIBD Cn1ccnc1[C@@H](CCc1ccccc1)OC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 754737744 HJBZZVMSMSCHDV-OAQYLSRUSA-N 431.452 4.045 5 20 IIBD O=C(COC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1nc(-c2ccc(F)cc2)cs1 754813233 SRLZTTFJGWDYPN-UHFFFAOYSA-N 435.820 4.306 5 20 IIBD O=C(COC(=O)c1cnc(Cc2ccccc2)s1)Nc1ccc(Cl)c([N+](=O)[O-])c1 756535447 NFJCCJXJISMCCZ-UHFFFAOYSA-N 431.857 4.091 5 20 IIBD Cc1c(C(=O)N(C)Cc2cc(Br)ccc2Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] 756771940 ITEVCCVACRKYMS-UHFFFAOYSA-N 442.653 4.500 5 20 IIBD C[C@H](Oc1ccccc1Br)C(=O)O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 759931621 LQQDGSMGLGEIBP-JGGQBBKZSA-N 438.278 4.048 5 20 IIBD CCCc1c(NC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)cnn1-c1ccc(F)cc1 760581445 JOIWCSOXFOGYAJ-UHFFFAOYSA-N 426.433 4.129 5 20 IIBD Cc1ncc([N+](=O)[O-])cc1-c1nc(-c2ccc(CNc3ccc4nc(O)[nH]c4c3)cc2)no1 762175943 LCBQQDMAINOOTB-UHFFFAOYSA-N 443.423 4.209 5 20 IIBD O=C(COC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)N[C@H](c1ccccc1)c1cccs1 762909774 YBPRLGGJQQWKJX-OAQYLSRUSA-N 435.461 4.200 5 20 IIBD O=C(OCc1coc(-c2ccc(F)c(F)c2)n1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 763870356 ORQGFGGHDCRJIK-UHFFFAOYSA-N 426.335 4.071 5 20 IIBD COc1cc(COC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)c([N+](=O)[O-])cc1F 766200748 IRDLCYKLVQGCGB-UHFFFAOYSA-N 441.293 4.168 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@H](C)C[C@@H](O)c2ccc(F)cc2)CC1 766716209 BYJOFQWLMISAHA-OPAMFIHVSA-N 429.492 4.212 5 20 IIBD CC(=O)c1ccc(OS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c(Cl)c1 768906279 RQQPVKSMGUGNEG-UHFFFAOYSA-N 448.678 4.289 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC(=Cc2ccc(F)c(F)c2)CC1 768909633 IANLFHINKFIEDD-UHFFFAOYSA-N 426.416 4.189 5 20 IIBD Cc1nc2sccc2c(=O)n1NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 769618978 OSGZSMPSMSYNSX-UHFFFAOYSA-N 438.490 4.210 5 20 IIBD O=[N+]([O-])c1cccc(Br)c1OS(=O)(=O)Cc1cccc(C(F)(F)F)c1 769928031 YOHONTXVDFNTSV-UHFFFAOYSA-N 440.193 4.285 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCOC[C@H]1C[C@@H](O)c1cccs1 771767088 VYOBOUBZIOQKEM-IUODEOHRSA-N 445.419 4.032 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 772861582 KIQDGABODFXBMP-UHFFFAOYSA-N 426.429 4.112 5 20 IIBD Cc1cnc(COC(=O)CCCC(=O)c2ccc(Br)cc2)c(C)c1[N+](=O)[O-] 774259730 ZSBBQRNTYAVJIM-UHFFFAOYSA-N 435.274 4.466 5 20 IIBD Cn1c(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)nc2cccc(Cl)c21 774756385 MABLYOWYIFSDRZ-UHFFFAOYSA-N 427.892 4.055 5 20 IIBD O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 775170652 CRRMZYDIEPNFSX-MRXNPFEDSA-N 443.656 4.364 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 775534575 BTIFJZRZYQFYFC-HNNXBMFYSA-N 437.562 4.424 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCc2ncc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2C1 777006241 JWZRZZAPZKTYMV-AWEZNQCLSA-N 446.891 4.278 5 20 IIBD Cc1ccc(-n2nc(C(=O)O[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2C)cc1 777157385 ZSJUFDMFIPEBLI-AWEZNQCLSA-N 442.859 4.235 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 777349839 KLDSUNZFGLMHST-LAUBAEHRSA-N 441.484 4.412 5 20 IIBD CC[C@@H]1CN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC[C@@H]1NC(=O)OC(C)(C)C 777957219 DQGGRIAAHSZLHZ-UZLBHIALSA-N 429.521 4.041 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 777990059 SLBIHYCFDNEKBT-INIZCTEOSA-N 446.460 4.008 5 20 IIBD COC(=O)[C@@H](NCc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(Cl)c(F)c1 779179915 ZZFWSRRBFYUYGS-HNNXBMFYSA-N 431.645 4.154 5 20 IIBD O=C(OCc1ccn(-c2ccccc2F)n1)c1cc([N+](=O)[O-])c(Br)cc1F 782281608 SQMXTRRXUBGFKJ-UHFFFAOYSA-N 438.184 4.178 5 20 IIBD O=C(C[C@@H](O)c1ccc(OCc2ccccc2)cc1)OCc1ccc([N+](=O)[O-])c(F)c1 784628646 HNCWLBLWXVOKII-JOCHJYFZSA-N 425.412 4.480 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)OCc1csc(-c2cccs2)n1 786782258 LCEQDUZLGBHRJU-UHFFFAOYSA-N 427.463 4.450 5 20 IIBD CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1cc([N+](=O)[O-])ccc1N 786832071 VZFQEBUEUIDERQ-UHFFFAOYSA-N 425.464 4.191 5 20 IIBD Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 787453620 NWUIZHQXWKZJHU-HOTGVXAUSA-N 439.512 4.489 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)Nc1ccccc1SC(F)F 787586598 CVGYXQWEAFWJRP-UHFFFAOYSA-N 449.357 4.183 5 20 IIBD COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790810335 FIWVAVKYEJYQBB-INIZCTEOSA-N 436.867 4.146 5 20 IIBD C[C@H](OC(=O)[C@@H]1CCC(F)(F)C1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 796382724 WPSFLSGSFJIQMU-CMPLNLGQSA-N 425.413 4.024 5 20 IIBD Cc1nc(SC(F)F)sc1CC(=O)O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 796768202 ZSFKUUHHEZWCFN-WDEREUQCSA-N 432.474 4.141 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1c1ccccc1 800376682 XCTQFVWNZNYODJ-ZWKOTPCHSA-N 445.903 4.381 5 20 IIBD C[C@H](CC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)OC(C)(C)C)CC1 801150491 WZKSMNAVGVALMY-QGZVFWFLSA-N 433.549 4.269 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cc([N+](=O)[O-])c(F)cc1N 801955441 SZGFORLLKYXAJX-SFHVURJKSA-N 444.463 4.471 5 20 IIBD Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)OCc1c(F)cc([N+](=O)[O-])cc1F 803427002 RLFHVNYWHBKPNB-UHFFFAOYSA-N 429.401 4.342 5 20 IIBD CCc1ccc([C@H](O)CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 804152357 ZQANWXBMWPOKKQ-QMHKHESXSA-N 434.496 4.189 5 20 IIBD C[C@@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(S[C@@H]2CCCCNC2=O)cc1 809049588 YQPUUMMLVKXEPF-FOIQADDNSA-N 428.510 4.203 5 20 IIBD Cc1oc(-c2ccccc2)nc1Cc1noc(-c2cccc([N+](=O)[O-])c2N2CCOCC2)n1 809276122 INMOURHDROUTPS-UHFFFAOYSA-N 447.451 4.036 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)Nc2cccc3c2COC3=O)cc1[N+](=O)[O-] 809383607 FPSABCNPVISKIH-UHFFFAOYSA-N 448.456 4.470 5 20 IIBD CC(C)(NCc1cc(I)cc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 809972854 NYHJTNUYAWBMIR-UHFFFAOYSA-N 441.225 4.133 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)C1 812351062 ZGOQKHYNICTFKI-OAHLLOKOSA-N 437.924 4.357 5 20 IIBD CCc1nnc(N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)n1Cc1cccs1 812358510 QYWGPYZRBRUUQN-UHFFFAOYSA-N 448.346 4.184 5 20 IIBD CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])o2)NC(=O)N1Cc1ccccc1 812504338 TVXQUACDLKZAQS-JOCHJYFZSA-N 447.447 4.472 5 20 IIBD O=C(c1cccc(F)c1)N1CCCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 813406549 WZSDMVGNYACMLJ-UHFFFAOYSA-N 440.258 4.029 5 20 IIBD Cc1ccccc1CN(Cc1cccnc1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] 814994894 FBKWKUYYUKYSOI-UHFFFAOYSA-N 449.891 4.482 5 20 IIBD CN(C[C@@H]1CCCO[C@H]1c1ccccc1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] 815007383 RDSBVYAOGIUBJA-LIRRHRJNSA-N 442.896 4.176 5 20 IIBD Cc1cc(Cl)c(C(=O)O[C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] 815405553 AEISWVNFHARSQM-JTQLQIEISA-N 428.775 4.342 5 20 IIBD Cc1nn(Cc2ccc(C(=O)OC(C(F)(F)F)C(F)(F)F)cc2)c(C)c1[N+](=O)[O-] 816221219 FLGJPKKLDZZKFD-UHFFFAOYSA-N 425.285 4.106 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C)C(=O)Nc1ccc(OC(F)F)cc1 916523188 OFYFQBRYCPHVBQ-NEPJUHHUSA-N 440.424 4.247 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1I)c1c(F)cccc1F 917260100 LHSKWEPGKDXESO-MRVPVSSYSA-N 433.148 4.396 5 20 IIBD C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 920546607 LKTXRLUDEZQUIC-IXDOHACOSA-N 440.500 4.109 5 20 IIBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccn(-c2ccccc2C(F)(F)F)n1 1254654722 PAWABLFXDMLJPK-UHFFFAOYSA-N 448.357 4.213 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(-c2nnc3n2CCCCCC3)cc1 1317795744 SYWCDPWXFYPNQQ-UHFFFAOYSA-N 441.513 4.079 5 20 IIBD CCc1cc(OCC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1Cl 1317945832 WTQMNIFVNXOSOU-UHFFFAOYSA-N 427.240 4.025 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(-c2ccc3ccccc3n2)o1 1328107806 AUTVEHYQZFXECX-IBGZPJMESA-N 449.492 4.417 5 20 IIBD Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ccccn4)cc3)CCC2)cc1[N+](=O)[O-] 1787295104 YVTROXFHOZVTIK-UHFFFAOYSA-N 444.491 4.289 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])o1)c1c(Cl)cccc1Cl 1792398396 QAKRVHSQUMRCJF-ZSBIGDGJSA-N 438.267 4.060 5 20 IIBD CC(C)c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc([N+](=O)[O-])o2)cc1 1793277077 SPXQPQOZQXIDGY-SBPBHMIISA-N 437.496 4.276 5 20 IIBD Cc1ccsc1C(=O)N1CCCC2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)C1 1808081887 AUAWHAJSDBXLFS-UHFFFAOYSA-N 445.516 4.262 5 20 IIBD O=C(c1cccc2ccccc12)N1CC2(CCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 1845403089 CKPOEXDLIVMUIU-UHFFFAOYSA-N 433.439 4.018 5 20 IIBD CN(C(=O)COC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C1CCCCC1 4893544 GGZYWGRLZSRPOH-UHFFFAOYSA-N 425.485 4.155 5 20 IIBD CCCc1cc(O)nc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 11443516 IZVKFANSNZRRBO-SECBINFHSA-N 430.408 4.181 5 20 IIBD COc1cc(COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c([N+](=O)[O-])cc1OC(F)F 12490321 GFZKKRCFBKWDOA-UHFFFAOYSA-N 432.719 4.123 5 20 IIBD Cc1ccc(NC(=O)CCSCCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 13983578 JNPVOXFRBWICLX-UHFFFAOYSA-N 446.485 4.210 5 20 IIBD O=C(COC(=O)c1cccc(-n2cccc2)c1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 18024985 QOVAYFDYSHNINH-UHFFFAOYSA-N 433.342 4.200 5 20 IIBD O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C/c1cc(Cl)c2c(c1)OCCCO2 18064370 GLOSEHXGSVJSKH-JYRVWZFOSA-N 425.828 4.064 5 20 IIBD Cc1nc(COc2ccccc2C(=O)O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cs1 19485709 SMTXUPPQZKQJFF-CYBMUJFWSA-N 441.465 4.123 5 20 IIBD CNc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)cc1[N+](=O)[O-] 22273151 RFPFCHJUNNXRMG-MRXNPFEDSA-N 433.464 4.411 5 20 IIBD Cc1c(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cnn1-c1ccc(Cl)cc1 25773950 NJJGKAKQXASNAL-UHFFFAOYSA-N 449.250 4.191 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(C(=O)c2ccc(C)cc2C)CC1 26644962 ALHBHKCVDRTQEB-UHFFFAOYSA-N 439.512 4.144 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)CCn1cc(C)cn1 58045065 YDXUQTYDYPVMCO-UHFFFAOYSA-N 428.470 4.034 5 20 IIBD C[C@H](c1nc(C2CC2)no1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 59386027 AEGBYJSRVHZOIG-OAHLLOKOSA-N 439.541 4.463 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCCN(Cc2ccc(F)cc2)CC1 65095517 TUOANJREPREKQJ-UHFFFAOYSA-N 440.500 4.206 5 20 IIBD CC(C)C[C@@H](C)N(C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc2[nH]ccc2c1 110047512 BMFLSTUYUVGQKV-OAHLLOKOSA-N 448.479 4.140 5 20 IIBD Cc1c(C(=O)NCCSCc2cccc3ccccc23)nnn1-c1cccc([N+](=O)[O-])c1 195612103 MTRKLDHMMUHNML-UHFFFAOYSA-N 447.520 4.300 5 20 IIBD CCc1cc(Nc2ccc(N3CCC(C(N)=O)CC3)cc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 301134221 WSHGUCSOXSTPFT-UHFFFAOYSA-N 446.511 4.060 5 20 IIBD Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 303361886 HTPIORCSZURBPB-LJQANCHMSA-N 427.526 4.355 5 20 IIBD COc1cccc(Cc2nnc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])s2)c1 410288397 LFMLHMCWEJNILZ-NSHDSACASA-N 448.888 4.105 5 20 IIBD O=C(Nc1ccccc1CN1CCSCC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 426109220 CKXNHSAKKJROPB-UHFFFAOYSA-N 426.542 4.340 5 20 IIBD CCCN(C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 426278005 UDMYGENAIVHZDK-ZACQAIPSSA-N 429.439 4.349 5 20 IIBD COc1ccccc1[C@H](NC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)c1ccco1 426980722 LYSYPPUCPURGAC-QFIPXVFZSA-N 442.493 4.344 5 20 IIBD COCCN(Cc1cc(Br)cs1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 427791828 YGWQTNVGXZXEPR-UHFFFAOYSA-N 438.303 4.189 5 20 IIBD COC(=O)[C@H](CC1CCCCC1)NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 427969829 ZVEQRTZBNDZLHV-IBGZPJMESA-N 442.462 4.201 5 20 IIBD CN(C)[C@@H]1CCCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 430379515 UFLFQXCBJWEXCW-GOSISDBHSA-N 430.936 4.417 5 20 IIBD COc1cc(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)ccc1OCC(F)(F)F 431885327 ZLVGDWMRHTVRCJ-UHFFFAOYSA-N 441.406 4.279 5 20 IIBD COCCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1nc2ccccc2s1 432207954 KWJCQNPJEDMYFP-UHFFFAOYSA-N 436.287 4.260 5 20 IIBD Cc1cc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)n([C@H]2CCN(Cc3ccccc3)C2)n1 435694533 LTVOFSSJYBMCGB-IBGZPJMESA-N 444.495 4.280 5 20 IIBD CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)c1ccc([N+](=O)[O-])cc1O 436957272 TUUYLINGKOLQFU-UHFFFAOYSA-N 434.477 4.487 5 20 IIBD CCOCCOCc1cccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 437755216 XJQQPRVCOCFQQG-UHFFFAOYSA-N 443.500 4.223 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCCC[C@H]1c1ncc(-c2ccccc2)[nH]1 439195781 BEWIUULUILRKGE-NRFANRHFSA-N 440.525 4.084 5 20 IIBD CCOC(=O)c1cnc(C)c(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 444299019 QWTNQVLMTHZREL-UHFFFAOYSA-N 437.402 4.092 5 20 IIBD C[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[C@H]1CCN(Cc2ccccc2)C1 444300808 JKDAOKVCGVGUPS-RXVVDRJESA-N 425.532 4.322 5 20 IIBD C[C@H](NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)c1ncn(C)n1 444435004 SLEPUEVRRYSNPW-LUYJPIOASA-N 448.508 4.141 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 444634001 FZRGEMMAVFNXCW-UHFFFAOYSA-N 438.793 4.491 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(-c3cc(-c4cccs4)n(-c4ccccc4)n3)n2)n1C 445620228 INYOPFMLHBNGLQ-UHFFFAOYSA-N 433.453 4.268 5 20 IIBD Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1 445933776 ZVEPQXSAIHGKQD-ICSRJNTNSA-N 433.302 4.245 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@@H]2C)cc1OC 446253055 NQGBMDYUIJMZED-RNODOKPDSA-N 434.876 4.258 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@@H](c1ccccc1F)C1CCCC1 446431054 HTYDPSPMJLIDLQ-JOCHJYFZSA-N 441.459 4.470 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 446484748 LEJQAVOCUNXXPO-INIZCTEOSA-N 425.489 4.042 5 20 IIBD CC(C)N(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@H](O)COc1ccccc1 446842070 CQKXWOGHLVVUOW-FQEVSTJZSA-N 427.526 4.369 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1 447719446 MKJVLYTTWPVJHA-CYBMUJFWSA-N 434.851 4.276 5 20 IIBD Cc1cnn([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3Cl)C2)c1 461383107 OYGUIIFWGKSISE-SFHVURJKSA-N 439.903 4.452 5 20 IIBD COc1cc(CN2Cc3ccc(O)cc3C3(CC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F 462823776 ABYXDPDXXVENGI-UHFFFAOYSA-N 438.402 4.298 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 462925313 LYEOREYEHCQPIB-GOSISDBHSA-N 443.931 4.192 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)[C@H]1SCCc2ccccc21)c1ccccc1[N+](=O)[O-] 463445272 UKIOUSDDOPDURF-RXVVDRJESA-N 428.510 4.124 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])c(C2CC2)n1)N1N=C(c2cccs2)C[C@@H]1c1cccs1 468116063 VJCHIUNAJZDYPK-CQSZACIVSA-N 427.511 4.170 5 20 IIBD COC(=O)COc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c2ccccc12 468221517 OMZPCYHGATYGFG-UHFFFAOYSA-N 449.463 4.152 5 20 IIBD C[C@@H](O)C[C@H]1COCCN1C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 468671239 GREMAUZPYZCVIO-HIFRSBDPSA-N 436.917 4.011 5 20 IIBD O=C(Nc1ccc(OC(F)F)cc1OC(F)F)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 470627136 ORHOWIMMBMPKIM-UHFFFAOYSA-N 445.325 4.093 5 20 IIBD CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cccc([N+](=O)[O-])c1OC 474420978 HRSKUIOWPBHLCT-UHFFFAOYSA-N 426.256 4.011 5 20 IIBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1-c1cc(F)c(F)c(F)c1 474549062 YYZNNFLQQVQARJ-UHFFFAOYSA-N 429.354 4.048 5 20 IIBD CCS[C@@H](C)c1noc(CN(C)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)n1 475196069 YQRCBTWNFQEJRJ-VIFPVBQESA-N 433.412 4.475 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 475866655 NXOIDYIDKOOPRU-MRXNPFEDSA-N 443.656 4.364 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)s1 477138298 WNKQLKDULNCGND-VIFPVBQESA-N 436.342 4.057 5 20 IIBD CC[C@@H]1NC(=O)N(c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)c2)C1=O 478152587 PTVOQFUSKSAZMH-KRWDZBQOSA-N 442.497 4.182 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC=C(c2ccccc2C(F)(F)F)CC1 478409541 DUVHEZUEPFAXGT-UHFFFAOYSA-N 448.397 4.243 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 485490828 AAWJOKQASDZJOF-PXNSSMCTSA-N 445.466 4.323 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@H](c3ccccc3)c3cccnc3)cc2)c(C)c1[N+](=O)[O-] 485504524 MEBSSCAZALWXGM-HSZRJFAPSA-N 441.491 4.371 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 485504752 MTIMLLWYOGEGQQ-MRXNPFEDSA-N 444.337 4.011 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N(C)[C@H](C)C(=O)NC(C)(C)C)cc2[N+](=O)[O-])cc1 485597279 DLHGLIYVRSOIEC-OAHLLOKOSA-N 429.542 4.430 5 20 IIBD CSc1cccc(C(=O)N2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)c1[N+](=O)[O-] 486468338 PJWLCYVAUFVQAJ-AWEZNQCLSA-N 446.504 4.130 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 488277349 DWCIGZIRDJCABK-GOSISDBHSA-N 442.497 4.313 5 20 IIBD Cc1ccc(-n2c(SCc3ccc(C(N)=O)cc3[N+](=O)[O-])nnc2-c2ccco2)cc1 488904825 ZWGDIKIPZQGVFJ-UHFFFAOYSA-N 435.465 4.135 5 20 IIBD O=C(N[C@@H]1CCC[C@@H](c2ccccc2)C1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 489642927 RUUBEPWLVBBCKB-KZNAEPCWSA-N 427.526 4.104 5 20 IIBD Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c(F)cc1Br 490039932 WKSQARDZSUDBAK-UHFFFAOYSA-N 434.221 4.371 5 20 IIBD CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1 490192713 HUDZSIIXLJCEIO-UHFFFAOYSA-N 427.848 4.425 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC2(CC1)OCCc1ccsc12 491920655 KWFSBUZHSMYMML-UHFFFAOYSA-N 426.416 4.379 5 20 IIBD COc1cc(CN[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F 493681296 AWMLRLKZQASHOI-LPHOPBHVSA-N 449.498 4.390 5 20 IIBD COc1cc(N[C@@H]2CCCN(C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2)cc(OC)c1 494447097 QDBFBDMGTMHCQQ-FUHWJXTLSA-N 442.516 4.268 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)c1nnc2n1CCC2 495276778 IIIVOSZEMWHAST-GFCCVEGCSA-N 443.916 4.428 5 20 IIBD O=C(Nc1n[nH]c(C(F)(F)F)n1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 497508625 USCCYVFJUXBHHK-UHFFFAOYSA-N 427.726 4.430 5 20 IIBD CS(=O)(=O)c1cccc(N2CCCN(c3ccc(Cl)c(Cl)c3)CC2)c1[N+](=O)[O-] 498908572 STNMGCONAWMQMB-UHFFFAOYSA-N 444.340 4.022 5 20 IIBD CCOCCCNC(=O)c1cccc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 501167309 DOUUCBIJJIIRHV-UHFFFAOYSA-N 427.501 4.301 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCNC(C)(C)COc1ccc(C(F)(F)F)cn1 502267992 FXUAZBRVAKMLNS-UHFFFAOYSA-N 440.422 4.093 5 20 IIBD COc1ccc(-c2ccc(CN[C@@H](CO)c3ccc(Br)cc3)o2)c([N+](=O)[O-])c1 503289912 IFDMOMCZOMOPNM-SFHVURJKSA-N 447.285 4.449 5 20 IIBD CCc1ccc([C@H](NCC(=O)N[C@@H]2CCOc3ccccc32)c2ccc([N+](=O)[O-])cc2)o1 503921578 WHOZKKZZPXBUIJ-HYBUGGRVSA-N 435.480 4.069 5 20 IIBD C[C@H](NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)[C@@H](c1ccccc1)N(C)C 505588846 VTQREGFHBKRCJZ-PSLXWICFSA-N 435.474 4.381 5 20 IIBD CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1OC 506652614 GYWTXXRKPGXHEV-SIKLNZKXSA-N 425.485 4.322 5 20 IIBD CCCn1ccc2cc(NC(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)ccc21 508992650 VNAKKAJILUCNEA-UHFFFAOYSA-N 436.497 4.492 5 20 IIBD NC(=O)C(=O)Nc1cccc(NCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c1 509411289 SFAGNEFRKSMEPG-UHFFFAOYSA-N 440.843 4.076 5 20 IIBD C[C@H]1C[C@@H](CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CN1Cc1ccccc1 510128109 JZHHMRLWJFJURZ-DOTOQJQBSA-N 446.345 4.388 5 20 IIBD Cn1cc(C(=O)Nc2ccc(NC(=O)CC(F)(F)F)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 512974652 WVOMDNLTEUVQFA-UHFFFAOYSA-N 447.373 4.139 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(OC(F)F)c1 515253199 XHWFCQPIWYHBRO-UHFFFAOYSA-N 434.321 4.449 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)NCc1ccccc1CN1CCCC[C@H]1C 515755396 HHUKNRPUSDDCSY-MSOLQXFVSA-N 440.544 4.095 5 20 IIBD Cc1csc(CCCCNCc2cc(I)cc([N+](=O)[O-])c2)n1 520293303 WDXFFAWSOQXTCI-UHFFFAOYSA-N 431.299 4.077 5 20 IIBD CC(=O)NC[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 521419149 FHLVYXXTWUIUBK-OAHLLOKOSA-N 431.876 4.029 5 20 IIBD CCOc1cc(CN[C@@H]2CCC[C@H](C)[C@H]2C)ccc1OCCn1c([N+](=O)[O-])cnc1C 521805087 SWGKGYBSFBNYLE-SQGPQFPESA-N 430.549 4.492 5 20 IIBD Cc1cccc(COc2cccc(C(=O)N3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)c2)c1 522859495 GEHXODCOPLHHBK-FQEVSTJZSA-N 432.480 4.204 5 20 IIBD CCN(CC)[C@@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1ccsc1 523296789 KCFNLFVUAUSLDX-SFHVURJKSA-N 447.948 4.351 5 20 IIBD CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)c1 523390360 CPVOFGYSOGYEFY-UHFFFAOYSA-N 427.438 4.435 5 20 IIBD CCC[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 525040335 BQTHGUGCUUOAAG-QZTJIDSGSA-N 429.542 4.179 5 20 IIBD Cc1noc(-c2ccc(C)c(NC(=O)Cc3ccc([N+](=O)[O-])cc3Br)c2)n1 531024606 CIFYGEIJPOFQOO-UHFFFAOYSA-N 431.246 4.205 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])C(F)(F)F 533245236 BLZLQFGOFJMNOE-HXUWFJFHSA-N 448.401 4.196 5 20 IIBD O=C(NCCNc1ncnc2ccc([N+](=O)[O-])cc12)c1ccc(-c2ccccc2Cl)o1 537018813 VAPGPQLTUCIGOK-UHFFFAOYSA-N 437.843 4.293 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 537393714 FGZJFPFKCPHOHB-UHFFFAOYSA-N 430.829 4.252 5 20 IIBD CCOC(=O)[C@H](c1ccc(Cl)cc1)N(CC)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 537898583 AALXHIGNURXLKL-IBGZPJMESA-N 444.875 4.425 5 20 IIBD Cc1sc(NC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)nc1-c1cccc([N+](=O)[O-])c1 538810592 UXIYZTBLDQKGLA-CYBMUJFWSA-N 428.436 4.240 5 20 IIBD CCN(CCC1CCN(C(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)CC1)CC(C)C 539135699 NPBIPONWUUHSTH-UHFFFAOYSA-N 428.533 4.069 5 20 IIBD Cc1ccc([C@@H](C)NCC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1[N+](=O)[O-] 540476410 NJFRASDTAADSKC-OSPHWJPCSA-N 441.528 4.229 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 541588457 JKKBUUMERNLPKU-JOCHJYFZSA-N 447.470 4.362 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)NCCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2)cc1F 541684014 DWAFAARCRUIUHM-CQSZACIVSA-N 427.436 4.080 5 20 IIBD CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 542552465 XXRKNGYLNOICKU-SJORKVTESA-N 433.574 4.254 5 20 IIBD O=C1CCCC[C@H]1[C@@H]1COCCN1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 544806465 CUOQKYPPCRTHGH-SFTDATJTSA-N 440.521 4.346 5 20 IIBD Cc1c(-c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)cnn1-c1cccc(Br)c1 544932328 OOPMDOYQWOIMHM-UHFFFAOYSA-N 441.245 4.151 5 20 IIBD Cc1cccc(-c2nc(Cc3cccc([N+](=O)[O-])c3C)no2)c1I 546485983 JRONYIZVEKKMOY-UHFFFAOYSA-N 435.221 4.457 5 20 IIBD CCOc1cccc(N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)c1[N+](=O)[O-] 547281619 GCWDBERNRIRARK-UHFFFAOYSA-N 443.891 4.019 5 20 IIBD CC(C)Cn1ncc(NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1C(C)C 551437036 SRNFKPKOLKLZNG-UHFFFAOYSA-N 429.521 4.445 5 20 IIBD CC(C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 551767573 BIKOUPSASUQGTI-OCCSQVGLSA-N 426.311 4.017 5 20 IIBD O=[N+]([O-])c1ccc(C(F)(F)F)c(CSc2ccc(S(=O)(=O)N3CCCC3)cn2)c1 555004515 IJXOTFPFUFFIHR-UHFFFAOYSA-N 447.460 4.085 5 20 IIBD O=C(Nc1cc(Br)cc(Cl)c1O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 560227980 OALWNWGBFANXHI-UHFFFAOYSA-N 437.637 4.154 5 20 IIBD O=C(NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)Nc1cc(F)cc([N+](=O)[O-])c1 566766080 VOAQIOCZGZREHJ-UHFFFAOYSA-N 439.325 4.210 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCc1cccc(OCc2ccccc2)c1 575841550 BCOOGMUFJUAOGM-UHFFFAOYSA-N 447.491 4.034 5 20 IIBD COc1ccc2cc(-c3noc(-c4cccc([N+](=O)[O-])c4N4CCOCC4)n3)ccc2c1 579171797 SLSROSXDCBEQFB-UHFFFAOYSA-N 432.436 4.310 5 20 IIBD COCCNC(=O)c1ccc(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1Cl 579721195 QCBQDDURZBOMKQ-UHFFFAOYSA-N 429.860 4.497 5 20 IIBD Cc1cc(Sc2nnc([C@H]3CCCNC3)n2C2CC2)c([N+](=O)[O-])cc1C(F)(F)F 590135706 JYOXBBINSXHXJX-NSHDSACASA-N 427.452 4.467 5 20 IIBD Cc1c(NC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)cccc1-n1cnnn1 600710936 QWQUGCVFQCTKPV-UHFFFAOYSA-N 426.502 4.269 5 20 IIBD Cc1cc(Br)oc1C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 603751925 UFDMLLFWFIBSPE-CYBMUJFWSA-N 439.262 4.072 5 20 IIBD COc1cc(C)ccc1Oc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cn1 604456680 ZPIPDYOBJYPIBD-UHFFFAOYSA-N 439.424 4.125 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C)cc1 608928847 SOLTYROPHYZJOE-UHFFFAOYSA-N 444.513 4.196 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3ccccc3)CC2)cc1OC 608967751 IVSQFZCRIFEVPH-GOSISDBHSA-N 428.485 4.039 5 20 IIBD O=C(Nc1cc(F)c(I)c(F)c1)c1c(Cl)cccc1[N+](=O)[O-] 609502984 SRPAPQZHUHVDGN-UHFFFAOYSA-N 438.555 4.383 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CCN(c2ccc(Cl)cc2)C1 609730636 AGVHZYOYJJIWDY-CQSZACIVSA-N 438.311 4.313 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N3CCCOC(C)(C)C3)c([N+](=O)[O-])c2)c(C)c1 609764856 BDLMAEWOGRFUPC-UHFFFAOYSA-N 433.530 4.018 5 20 IIBD CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1CCc2c1cccc2[N+](=O)[O-] 609974076 BHTHZQPXTOMBIK-DEOSSOPVSA-N 431.492 4.021 5 20 IIBD COc1ccc(Cl)cc1[C@H](CC(C)C)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 610006652 VPADDGVYVQNWSU-SFHVURJKSA-N 426.922 4.464 5 20 IIBD CN(CC(C)(C)C)C(=O)c1cccc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1 610175399 CWJHQLJMBHIRPC-UHFFFAOYSA-N 425.529 4.466 5 20 IIBD C[C@@H](c1ccc(Br)cc1)c1noc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)n1 612980643 JIJHBIKIZKVRPY-NWDGAFQWSA-N 445.273 4.383 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1I)c1cccc([N+](=O)[O-])c1 726027375 RXTRIYXMAGQFMA-SECBINFHSA-N 442.165 4.026 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)OC(C)(C)C)cc1C 726519454 RQKLWAOFWQURRZ-UHFFFAOYSA-N 447.513 4.310 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 728388673 UALIAJRVXKSOFS-UHFFFAOYSA-N 441.246 4.031 5 20 IIBD C[C@@H](OC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 728922170 MVSMYIMSDHHPGG-QGZVFWFLSA-N 446.525 4.006 5 20 IIBD CC(C)Oc1ccc(Cl)cc1C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730705607 XQHTZHQCALLXAZ-MRXNPFEDSA-N 446.887 4.497 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Oc2cccc(Cl)c2Cl)c1 731214783 OUWJXGJGFLKSBT-UHFFFAOYSA-N 427.059 4.432 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(CNC(=O)OC(C)(C)C)c2)c1C 732525897 UCRCFCVMBRNUQJ-UHFFFAOYSA-N 435.502 4.037 5 20 IIBD Cc1c(C(=O)OCc2csc(-c3ccsc3)n2)nnn1-c1cccc([N+](=O)[O-])c1 733513366 KJYOBFWJOLUDSA-UHFFFAOYSA-N 427.467 4.026 5 20 IIBD C[C@@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@@H]1NC(=O)OC(C)(C)C 740828879 HKRQEZWKQNAIBR-CJNGLKHVSA-N 446.529 4.094 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NCc2cc(F)ccc2[N+](=O)[O-])c1 742257402 ZFFPEIMBINZBIR-UHFFFAOYSA-N 439.509 4.164 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(CC(F)(F)F)c2)cc1Br 743265705 URIIJDXVBADITE-UHFFFAOYSA-N 439.209 4.263 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2c(F)cc(N)cc2F)c2ccccc2)c([N+](=O)[O-])c1 748465463 RTGYYXRVUOPVJO-HXUWFJFHSA-N 441.390 4.300 5 20 IIBD CC[C@@H](Oc1ccccc1F)C(=O)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C 748665012 VMAJSVPUFWUQIG-GOSISDBHSA-N 442.447 4.379 5 20 IIBD CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)[C@@H]1c1ccccc1OC 750542608 QCZPEXPGTOKMLM-VGSWGCGISA-N 443.475 4.461 5 20 IIBD Cc1ccc(NC(=O)COC(=O)c2ccc(Br)cc2[N+](=O)[O-])c(Cl)c1 750826857 ROCGTASVEQPXCS-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD COc1ccc2nc(C3CC3)cc(C(=O)OCC(=O)Nc3c(C)cccc3[N+](=O)[O-])c2c1 751823368 OWPMPJWUAHPIJX-UHFFFAOYSA-N 435.436 4.133 5 20 IIBD CC1(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CCN(C(=O)OC(C)(C)C)CC1 753361671 OIUSDNHMNLPGJK-UHFFFAOYSA-N 434.537 4.166 5 20 IIBD Cc1nn2cc(CCCOC(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)cnc2c1C 753554380 YGZJPOCYKZBELJ-UHFFFAOYSA-N 447.289 4.115 5 20 IIBD C[C@@H](OC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 754800949 WPXCEZFAVWBYDM-GFCCVEGCSA-N 436.346 4.035 5 20 IIBD CC(C)OCc1ccccc1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754979186 WMEBPOJLPRZMJE-UHFFFAOYSA-N 425.254 4.351 5 20 IIBD O=C(Nc1cccn(Cc2ccccc2)c1=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 755649102 MKEGEXBIMUVEQI-UHFFFAOYSA-N 432.480 4.047 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(F)c(C(F)(F)F)c(F)c2)c([N+](=O)[O-])c1 758841497 AOGPTLNSTXBLDU-MRVPVSSYSA-N 448.300 4.084 5 20 IIBD COc1ccc(-c2nnc(NC(=O)c3cccc([N+](=O)[O-])c3Br)s2)cc1 758886648 QPLCQOBYISPSID-UHFFFAOYSA-N 435.259 4.137 5 20 IIBD Cc1nn(C)c(C)c1[C@H](OC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F 760780357 JIXYPOPZNZMBRI-BMIGLBTASA-N 435.786 4.213 5 20 IIBD Cn1cc(-c2cccc(-c3nc(Cc4ccc([N+](=O)[O-])cc4Br)no3)c2)cn1 762261486 OVVZMSGHSPSCJV-UHFFFAOYSA-N 440.257 4.399 5 20 IIBD C[C@H]1[C@@H](C(F)(F)F)OC(=O)N1c1ncccc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 764311675 RAVYIYJVGXDOQJ-SDBXPKJASA-N 444.753 4.172 5 20 IIBD COc1ccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c(I)c1 765023410 QCBKMBSOIDFFNS-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 765083367 ZXINGBAUVUFVKD-KRWDZBQOSA-N 427.457 4.142 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(NCCC(=O)Nc2cc(Cl)ccc2OC)cc1Cl 765518642 SSDXBGMPBIPISF-UHFFFAOYSA-N 442.255 4.138 5 20 IIBD COc1cc(CN2CCO[C@@H](c3ccccc3Br)C2)c([N+](=O)[O-])cc1F 766756743 LAIZJLWRQLFOAK-GOSISDBHSA-N 425.254 4.079 5 20 IIBD COc1ccc(OC)c2c1CN(Cc1ccc(-c3ccccc3[N+](=O)[O-])s1)C[C@@H]2O 768206070 HJUALJLIGGJNBX-SFHVURJKSA-N 426.494 4.390 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@H]1CCCN1Cc1ccc(Br)c([N+](=O)[O-])c1 769452120 PQJOEWNXDMSJRH-QGZVFWFLSA-N 448.317 4.277 5 20 IIBD CCN(C(=O)COC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C)c1nc2ccccc2s1 769886155 FSEXFMKQQOUDSB-UHFFFAOYSA-N 427.482 4.340 5 20 IIBD CC[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H](O)c1c(F)cccc1F 771700898 FPBZBAVZELDLJH-MAUKXSAKSA-N 433.436 4.239 5 20 IIBD Cc1c(C(=O)N2CCN(c3cccc4cnccc34)C[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 773444627 YJALKEHYZPKFHP-AWEZNQCLSA-N 449.467 4.019 5 20 IIBD C[S@@](=O)c1ccc(C(=O)O[C@@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])cc1 774368385 KAEKYBZEXNCFQU-YHAMSUFESA-N 440.315 4.140 5 20 IIBD COc1cccc([C@@H]2[C@@H](C(=O)Nc3cc([N+](=O)[O-])c(Cl)cc3C)CC(=O)N2C2CC2)c1 776325846 OPDFCQRWTYPHLY-HRAATJIYSA-N 443.887 4.256 5 20 IIBD COc1cc(Cl)ccc1NC(=O)c1ccc(I)c([N+](=O)[O-])c1 776406878 BJVMFXGAMRLIQO-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD C[C@@H](Nc1ccc(C(=O)OC2CCC3(CC2)OCCO3)cc1[N+](=O)[O-])c1ccccn1 776559504 VLDAHPMIYOFDFB-OAHLLOKOSA-N 427.457 4.005 5 20 IIBD CC[C@H](C)Oc1cc(C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)ccn1 776743998 OQEDFOYHNLUARG-HNNXBMFYSA-N 439.472 4.268 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(Cc1csc(Br)c1)C1CC1 778028049 LWDQKHGOYSEKGC-UHFFFAOYSA-N 449.323 4.220 5 20 IIBD CSc1ccc(NC(=O)[C@@H](C)OC(=O)c2cccc([N+](=O)[O-])c2Br)cc1 781675604 VONWHZBFLSDAFN-SNVBAGLBSA-N 439.287 4.263 5 20 IIBD O=C(Oc1cc([N+](=O)[O-])ccc1I)[C@H]1CCC[C@H](C(F)(F)F)C1 781745180 SOQMZIDGJQBXIQ-IUCAKERBSA-N 443.159 4.474 5 20 IIBD O=C(CCc1nc(O)c2c3c(sc2n1)CCC3)OCc1ccc(Cl)c([N+](=O)[O-])c1 782240851 YHKZUBDWLZUBHL-UHFFFAOYSA-N 433.873 4.123 5 20 IIBD CC(C)COC(=O)Nc1cccc(NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 783905039 OGJIGVRLJKGOSR-UHFFFAOYSA-N 434.836 4.030 5 20 IIBD Cc1ccc(Br)cc1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 784615770 UMKMKNZYBDNTTA-UHFFFAOYSA-N 446.070 4.497 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(Cn2ccnc2[C@H](O)c2ccc(F)cc2)cc1OC 786756160 ASLMMWLWLZEXKK-OYHNWAKOSA-N 443.475 4.494 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC=C(c2cccc(Br)c2)CC1 786796151 FFWGCXPBZYJUPP-UHFFFAOYSA-N 437.315 4.055 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 788326374 BHZFTBQOVVHNHW-HSZRJFAPSA-N 445.947 4.030 5 20 IIBD O=[N+]([O-])c1ccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2)c([N+](=O)[O-])c1 789724302 DPTKWTPGYAUXTP-UHFFFAOYSA-N 434.437 4.438 5 20 IIBD Cc1c(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cccc1[N+](=O)[O-] 791018331 QJVJANVIDOWMRI-OAHLLOKOSA-N 435.440 4.310 5 20 IIBD CC[C@@H](c1ccncc1)N(CC)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O 795431128 ITMIMIPXHOKAHD-KRWDZBQOSA-N 433.306 4.139 5 20 IIBD CC(C)c1[nH]nc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1[N+](=O)[O-] 796259492 LCBVIBRKNDDQEI-MRVPVSSYSA-N 448.785 4.298 5 20 IIBD CCn1c(SCC(=O)OCc2ccc([N+](=O)[O-])cc2OC)nnc1-c1cccc(C)c1 797473130 WWEDOJNMCZBNEM-UHFFFAOYSA-N 442.497 4.026 5 20 IIBD COC[C@@H](C)Nc1ccccc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 798051106 DSIQIQDTRJMLRY-SNVBAGLBSA-N 426.242 4.196 5 20 IIBD O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)C1(c2cncc(Br)c2)CC1 798443256 CBSVURHOGNFXKI-UHFFFAOYSA-N 444.241 4.182 5 20 IIBD CC(C)CNC(=O)C1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 799538584 IWKDVIYADMJADQ-UHFFFAOYSA-N 441.553 4.370 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H]1CCc2ccc(-c3ccccc3)cc21 800625773 BQKYCSUGKBJPNQ-HXUWFJFHSA-N 433.439 4.452 5 20 IIBD COCC1(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CCN(C(=O)OC(C)(C)C)CC1 804718977 AOVFINOFPMDUQU-UHFFFAOYSA-N 445.463 4.272 5 20 IIBD C[C@H](OC(=O)[C@H](C)Cc1cncc2ccccc12)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 805682019 NUIDEYNDTDMATN-KGLIPLIRSA-N 425.416 4.031 5 20 IIBD COc1ccccc1[C@H]1CC[C@@H](C)CN1C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 807310267 DDXFVHMFFCPCPJ-CXAGYDPISA-N 431.876 4.195 5 20 IIBD C[C@@H](Oc1ccccc1NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(F)(F)F 807744672 GOMLSDGHOOYDEI-LLVKDONJSA-N 427.335 4.404 5 20 IIBD C[C@H](C(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)c1ccc(Br)s1 813171581 MGOQLMQTBRNUKD-WFASDCNBSA-N 439.331 4.340 5 20 IIBD C[C@H](N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1ccc(N)c([N+](=O)[O-])c1 815559556 KIRWTJWOKVSJBS-UGSOOPFHSA-N 436.434 4.210 5 20 IIBD CN(C(=O)c1ccccc1C(=O)OCCOc1cccc([N+](=O)[O-])c1)C1CCCCC1 915370757 GXTHZNOHBDFDIH-UHFFFAOYSA-N 426.469 4.235 5 20 IIBD C[C@H](OC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(=O)Nc1cccc2ccccc12 915469347 BHMZVVIFYZWRSY-HNNXBMFYSA-N 430.420 4.118 5 20 IIBD C[C@@H](OC(=O)c1cc(F)cc(Br)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 915592407 YVRGJXLHVWRDTI-MRVPVSSYSA-N 445.628 4.334 5 20 IIBD O=C(COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)N[C@H](Cc1ccccc1)c1ccccc1 917657186 XABNVKZLUMZEHY-HRNYAPDYSA-N 430.460 4.251 5 20 IIBD COc1cc(/C=C(\C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)ccc1O 919170583 ROIDRGXBYXSZIJ-MOSHPQCFSA-N 433.416 4.276 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)cc1[N+](=O)[O-] 920228888 DGYBBVGUMNJCDI-UHFFFAOYSA-N 426.360 4.068 5 20 IIBD COc1cc(OCC(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)ccc1[N+](=O)[O-] 921004825 NQYDZJPPZNCEBQ-UHFFFAOYSA-N 441.484 4.026 5 20 IIBD COc1cc(N2CCC(OC(=O)C3(c4ccccc4OC)CCC3)CC2)ccc1[N+](=O)[O-] 1122498720 QHWSJCGPGIWDDZ-UHFFFAOYSA-N 440.496 4.246 5 20 IIBD COc1ccc(NC(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])c1 1123372251 KBDVFRWKHCXBOZ-BFUOFWGJSA-N 436.871 4.210 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC(Nc2ccccc2Cl)CC1 1319843563 VEJREPOHLUGPEX-UHFFFAOYSA-N 425.876 4.151 5 20 IIBD O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccn(-c2ccccc2C(F)(F)F)n1 1320392742 WOVPNSMTNYQKIR-UHFFFAOYSA-N 432.314 4.298 5 20 IIBD O=C(c1ccc(Cn2cccc2)cc1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 1323069386 SIFCTPRJCCEGLS-UHFFFAOYSA-N 440.297 4.406 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1-c1nnc(CN2CCN(Cc3ccc(Cl)cc3)CC2)o1 1324240350 IKAVJOKFHMZFEE-UHFFFAOYSA-N 448.310 4.269 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1)c1ccc2n[nH]cc2c1 1785748705 BQMZAVCCIOXHQM-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3F)CCC2)cc1)c1ccncc1 1787313069 JOBNRZJVESKEGA-UHFFFAOYSA-N 434.427 4.190 5 20 IIBD Cc1ccncc1C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc([N+](=O)[O-])o3)CCC2)cc1 1788817453 KGVLDJVGARSVQK-VQHVLOKHSA-N 446.463 4.352 5 20 IIBD Cc1ocnc1C(=O)Nc1ccc(C2(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)CCC2)cc1 1789894052 XSPFEBIKSFOOGW-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD Cc1ccc(OCC(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])[nH]4)cc3)CCC2)cc1 1790184338 GZQFJFNVETZBQV-UHFFFAOYSA-N 448.479 4.058 5 20 IIBD O=C(NC1(c2ccc(NC(=O)C3(c4cccc([N+](=O)[O-])c4)CCC3)cc2)CCC1)C(F)F 1790476066 YEYGYHHJYGOVSF-UHFFFAOYSA-N 443.450 4.416 5 20 IIBD Cc1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(C)CCC3)n[nH]2)cc1[N+](=O)[O-] 1814403717 NQCJMWHJOPRTCO-SFHVURJKSA-N 439.516 4.051 5 20 IIBD Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)C(C)(C)C)CC2)cc1[N+](=O)[O-] 1826404866 OXGTVPPGAKXUOJ-HXUWFJFHSA-N 429.561 4.112 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C 10772573 AVMVJVIBLJOCKJ-UHFFFAOYSA-N 432.436 4.218 5 20 IIBD C[C@@H](OC(=O)c1cc(Cl)cc(Cl)c1N)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 10960925 DCLQJNYAQVUFDU-SSDOTTSWSA-N 432.647 4.321 5 20 IIBD COc1ccc(Cc2nnc(S[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)o2)cc1 11649215 IUVGIXKLIKITOR-NSHDSACASA-N 448.888 4.350 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2ccccc2N2CCCCC2)cc1[N+](=O)[O-] 15309408 MYKXZOXDYONPSD-UHFFFAOYSA-N 438.513 4.117 5 20 IIBD COc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2Cc2ccccc2)c([N+](=O)[O-])c1 16458742 YDLXXUMXVCMIHN-UHFFFAOYSA-N 437.408 4.120 5 20 IIBD O=C(COC(=O)COc1ccc(Cl)c2ccccc12)Nc1ccc(F)c([N+](=O)[O-])c1 19486297 KRKKVIQIPPFDEU-UHFFFAOYSA-N 432.791 4.101 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1(c2ccc(Br)cc2)CC1 26432029 RDTJEMKBWZHQJX-UHFFFAOYSA-N 444.241 4.182 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CN(Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccco1 26926661 DQEMOKUAMCJVNQ-UHFFFAOYSA-N 435.480 4.291 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](c1ccccc1)N1CCSCC1 61283597 NURRGYYSVUJXDZ-QGZVFWFLSA-N 436.331 4.086 5 20 IIBD COc1ccc(C(C)(C)CNC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 63631325 OVOJGRVOUMVYOA-UHFFFAOYSA-N 436.512 4.173 5 20 IIBD COC(=O)c1ccc(OC(C)C)c(N[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 63774829 YMKUSDAUPUHRJF-ZDUSSCGKSA-N 426.429 4.392 5 20 IIBD Cn1cc(C(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 65073554 GFEGUZJCFVKBTD-UHFFFAOYSA-N 435.871 4.329 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 109006799 VSTBHHMPZDRASS-HZPDHXFCSA-N 437.562 4.181 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)NCCc2csc3ccccc23)cc1[N+](=O)[O-] 195642888 PDBHHKWEQOOLJF-UHFFFAOYSA-N 439.522 4.062 5 20 IIBD COc1cc(CNC2CCN(CC(C)C)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 237113358 RRFNYOWIDPRFSE-UHFFFAOYSA-N 427.545 4.392 5 20 IIBD Cn1cc(CNCc2ccc(COCC(F)(F)F)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 237932121 FRYGHTMMUJRGFM-UHFFFAOYSA-N 434.418 4.364 5 20 IIBD O=c1c(Cl)c(N[C@@H](c2ccccc2)c2nccs2)cnn1-c1ccc([N+](=O)[O-])cc1 301193961 MUOLIOJFLQBVRH-SFHVURJKSA-N 439.884 4.452 5 20 IIBD CCc1ccc([C@@H](Nc2cc(C)c([N+](=O)[O-])cn2)c2cccc(S(C)(=O)=O)c2)cc1 301449879 SNWUJTABSBADKU-JOCHJYFZSA-N 425.510 4.466 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCSC[C@@H]1c1ccc(Cl)cc1 303689857 MIQYALCDWXUICY-LJQANCHMSA-N 428.901 4.364 5 20 IIBD C[C@H]1CN(Cc2ccccc2NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@H](C)O1 430024589 GJSYQJMFKNHVQU-KBPBESRZSA-N 448.317 4.219 5 20 IIBD C[C@@H](c1cccc([N+](=O)[O-])c1)N1C(=O)CN([C@H](C)c2cccc(Br)c2)C1=O 430880747 ZIRGCETWHFKLST-OLZOCXBDSA-N 432.274 4.444 5 20 IIBD CCC[C@H]1CCc2nc(NC(=O)C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)sc2C1 435016224 KVNSOJWOZOYNQS-AWEZNQCLSA-N 442.541 4.086 5 20 IIBD CC[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C1CCOCC1 435824392 HEKCUUZVCFASQL-OAHLLOKOSA-N 449.554 4.067 5 20 IIBD COc1ccc(CCNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1F 436327171 RENSIHSHQZWXIO-UHFFFAOYSA-N 426.394 4.080 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1F 438668603 YMOYCVLELRLTJE-UHFFFAOYSA-N 427.354 4.128 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCc2c([nH]c3c(F)cccc23)C1 439486056 VWBQDJSQCFICEH-UHFFFAOYSA-N 426.448 4.001 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1ccc(OCC(F)(F)F)c(F)c1 443420330 YKWIODKWNUWSCD-UHFFFAOYSA-N 428.747 4.129 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c(Cl)c1 443729879 GDQNVNZMTKISLK-LLVKDONJSA-N 439.852 4.097 5 20 IIBD O=C(N[C@H]1CC(=O)N(c2ccccc2Cl)C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444005750 YMPQQVBOKPLJRF-ZDUSSCGKSA-N 449.869 4.009 5 20 IIBD O=C(N[C@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 444080130 HJZGOWKENFVROR-NRFANRHFSA-N 445.906 4.260 5 20 IIBD O=C(NCc1nc(C(F)(F)F)cs1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444096802 QWUGXVVXHRLADD-UHFFFAOYSA-N 439.365 4.365 5 20 IIBD C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444285917 IACPJRWPDRJRRU-OAHLLOKOSA-N 435.474 4.210 5 20 IIBD COc1ccc2cc([C@H](C)c3nc(CC(=O)NCc4ccc([N+](=O)[O-])cc4)no3)ccc2c1 445727464 UXBRELAUOIKXOE-HNNXBMFYSA-N 446.463 4.150 5 20 IIBD CCOC(=O)[C@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])c2ccccc21 446250784 VQZHNSRGUWIECZ-AWEZNQCLSA-N 433.258 4.055 5 20 IIBD CCN(Cc1cccc(-c2ccncc2)c1)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 446900462 OZWUWWIOTMNFJV-UHFFFAOYSA-N 430.468 4.265 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@@H]3C3CCCCC3)n2C[C@@H]2CCOC2)c1 461583318 FMPILEKQBSMZLY-LAUBAEHRSA-N 425.533 4.439 5 20 IIBD NC(=O)c1cnc(NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])s1 464563134 FMWRYSIVIUTLFV-UHFFFAOYSA-N 434.886 4.207 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1NC(=O)CCN(C)C 466265429 RXXGBCWGEOPKSO-UHFFFAOYSA-N 438.406 4.065 5 20 IIBD O=[N+]([O-])c1cc2c(cc1Cc1nc(-c3cccnc3Oc3ccccc3)no1)OCCO2 467249477 FOHHITUHGYPMFR-UHFFFAOYSA-N 432.392 4.194 5 20 IIBD Cc1cc(C(=O)N(Cc2cccc(Br)c2)C2CCOCC2)cc([N+](=O)[O-])c1 468154133 SNWMPGTYGATXKS-UHFFFAOYSA-N 433.302 4.487 5 20 IIBD C[C@H](O)C[C@@H]1CCCCN1C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 468580231 VGSLXNLZTYEGOJ-MBSDFSHPSA-N 448.523 4.142 5 20 IIBD Cc1cccc(C(=O)N[C@@H](C)c2nc(-c3ccc(Br)cc3)no2)c1[N+](=O)[O-] 472674556 BIJSQSZXIUICFN-NSHDSACASA-N 431.246 4.207 5 20 IIBD COc1cc(C(=O)Nc2ccc(CN(C)C)c(Cl)c2)c([N+](=O)[O-])cc1OC(F)F 478043194 UNHGASALGYHEPI-UHFFFAOYSA-N 429.807 4.172 5 20 IIBD CCOc1cc(NC(=O)N2CCOC[C@@H]2c2ccc(CC)o2)c([N+](=O)[O-])cc1OCC 479937741 HDLJZEYNZIKVBD-QGZVFWFLSA-N 433.461 4.153 5 20 IIBD COc1ccc(CNC(=O)C(=O)Nc2cc(Cl)ccc2-c2ccc(C)o2)cc1[N+](=O)[O-] 483764366 PHCQFIWHMIAIOO-UHFFFAOYSA-N 443.843 4.080 5 20 IIBD O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 485821414 XKDHIGBCZKNSRE-CQSZACIVSA-N 430.258 4.112 5 20 IIBD CC(C)CCn1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1C(C)C 486127372 UPZBSYBGQJCQPJ-UHFFFAOYSA-N 431.518 4.310 5 20 IIBD CSc1cccc(C(=O)NC(C)(C)COc2ncccc2Br)c1[N+](=O)[O-] 486430974 QCRYHCFLURDRIW-UHFFFAOYSA-N 440.319 4.062 5 20 IIBD CNC(=O)c1cc(Oc2ccccc2NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccn1 487933405 MNFUUGOMUWFYPJ-UHFFFAOYSA-N 426.816 4.047 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1C(=O)N(C)C(C)C 488198176 ILSPTCMHKUMEQE-AWEZNQCLSA-N 433.892 4.443 5 20 IIBD Cc1c(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cccc1N1CCNC1=O 488659967 LCAYJTKILCQJFN-UHFFFAOYSA-N 445.479 4.297 5 20 IIBD CCOc1cc2c(cc1NC(=O)c1csc(-c3ccc([N+](=O)[O-])cc3)n1)OCCO2 490533900 IBUALWYLPBUYMC-UHFFFAOYSA-N 427.438 4.141 5 20 IIBD CC[C@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@H](O)C(F)(F)F 498580333 YQPLRBGWVPUSFY-BBRMVZONSA-N 432.782 4.472 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NCC[C@@H]1CCCCO1 504103759 MBAVWQNQVWOVSA-QFIPXVFZSA-N 434.496 4.065 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCOc2c(-c3ccccc3)cccc21 505091399 VZYYZECKBHJGTG-KSFYIVLOSA-N 445.475 4.020 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCCN([C@H](C)c2ccccc2F)C1=O 505496942 VESPFQMSPACORF-VQIMIIECSA-N 427.476 4.141 5 20 IIBD CCOc1ccc(C(=O)Nc2ccc(NC(=O)CCN3CCCCC3)cc2)cc1[N+](=O)[O-] 505831352 MHUWQVWDUNFQAF-UHFFFAOYSA-N 440.500 4.060 5 20 IIBD CC[C@@H](NCc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1OCC(=O)N1CCCC1 508966445 JWMAIFNQJNNTNB-HXUWFJFHSA-N 433.455 4.115 5 20 IIBD O=C(Nc1cc2ccc(Br)cn2n1)c1sc(Br)cc1[N+](=O)[O-] 511335774 VYNDAZIBJWWFSD-UHFFFAOYSA-N 446.080 4.081 5 20 IIBD O=C(CCCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)Nc1ccc(Cl)cc1 511539211 LQYIYUNTMCNLCS-UHFFFAOYSA-N 442.806 4.390 5 20 IIBD Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCN(C(=O)C(C)(C)C)C3)n2)cc1[N+](=O)[O-] 516362120 IZWFKSAMNZLHQV-OAHLLOKOSA-N 430.530 4.250 5 20 IIBD Cc1cc(Sc2ccccc2)ccc1NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 516712077 JWPIQHDIPFGXAU-UHFFFAOYSA-N 435.505 4.352 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1 517844225 MSIUAZDFVLHIGO-UHFFFAOYSA-N 435.362 4.335 5 20 IIBD CCOC(=O)c1c(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)sc(C)c1CC 518173282 ITSNUEUIRCQVGR-UHFFFAOYSA-N 428.470 4.142 5 20 IIBD CCCN(Cc1ccccc1Br)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 519890986 ZMLBTKCXWVEDPL-UHFFFAOYSA-N 431.283 4.097 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCc2ccc(Oc3cccc(F)c3)nc2)cc1C 520042857 JCRYQDMFHPGFLE-UHFFFAOYSA-N 431.445 4.017 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1 522537048 SBYBVSVSXYEVAS-UHFFFAOYSA-N 426.450 4.351 5 20 IIBD CC(C)C(=O)NC[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 523555147 TXQYTIQTKPXZSU-KRWDZBQOSA-N 425.485 4.012 5 20 IIBD COc1ccc([C@@H](C)CCNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 525595040 VDJJQXGJXHHZIP-ZDUSSCGKSA-N 426.391 4.468 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(F)ccc2OCC(F)(F)F)cc1OC 531454104 FQJWVIGLNLUIDU-UHFFFAOYSA-N 432.326 4.335 5 20 IIBD Cc1cc(NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)ccc1C(=O)O 531746389 QYQHTAPSNNEGNT-UHFFFAOYSA-N 447.447 4.151 5 20 IIBD COc1ccc(Br)cc1CN(C)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 532956742 PRGRKNLPSPSWPE-UHFFFAOYSA-N 448.317 4.238 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(c2ccc(Cl)cc2)CC1 534214303 HOQPYKZJBDLYDQ-UHFFFAOYSA-N 448.928 4.365 5 20 IIBD CN(C)C(=O)C[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c2ccc(Cl)cc21 534840820 GEMMIELFSYSBEG-OAHLLOKOSA-N 440.887 4.485 5 20 IIBD O=C1[C@H](NC/C=C/c2ccccc2[N+](=O)[O-])CCCN1Cc1cccc(C(F)(F)F)c1 538569830 GUMMFBUDEDUXMM-RRGNZLCHSA-N 433.430 4.408 5 20 IIBD Cc1ccc([C@H](C)NCC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1[N+](=O)[O-] 539376560 JQPJJYXOMVCLQJ-AWEZNQCLSA-N 428.489 4.379 5 20 IIBD O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)c1cc2c(cc1[N+](=O)[O-])OCCO2 540060641 NOXPATDRDBRSTJ-UHFFFAOYSA-N 435.223 4.111 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(S(=O)(=O)c1c(Cl)cc(F)cc1Br)CC2 540214268 VXMGOIGMDZWUCA-UHFFFAOYSA-N 449.685 4.210 5 20 IIBD COc1cccc(Oc2ccc(CNC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)cn2)c1 541614214 WKQFXIBPAFKGDP-CQSZACIVSA-N 425.416 4.350 5 20 IIBD CC(C)c1ccc([C@H](C)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)cc1 543138335 FOEFWAYVGJIKFM-KRWDZBQOSA-N 431.558 4.005 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCOC[C@@H]2c2noc(C(C)C)n2)cc1OC 543430726 UGUSDDWPNCKDRU-CRAIPNDOSA-N 448.520 4.108 5 20 IIBD CCOc1ccccc1CN(CCCn1ccnc1)C(=O)Nc1ccc([N+](=O)[O-])cc1F 543644225 HDSNBOUEAXCWLV-UHFFFAOYSA-N 441.463 4.454 5 20 IIBD CCOc1cc(CN(C)S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)ccc1OC(F)F 544663018 YUGRVMZVWSDSPA-UHFFFAOYSA-N 444.456 4.032 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(-c3ccc(N4CCOCC4)nc3)no2)ccc1Nc1ccccc1 545630158 GRXWLJTVZPKESD-UHFFFAOYSA-N 444.451 4.287 5 20 IIBD O=C(CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(I)cc1 546260007 VPAJRUDBYMEOFJ-UHFFFAOYSA-N 449.204 4.065 5 20 IIBD C[C@H](Nc1ccc(-c2nc(-c3ccc(NC(N)=O)cc3)no2)cc1[N+](=O)[O-])c1ccccn1 546311674 LYMWWTKSQFFDBQ-ZDUSSCGKSA-N 445.439 4.371 5 20 IIBD Cc1c(C(=O)N2CCN(c3ncnc4sc([N+](=O)[O-])cc34)CC2)sc2ccccc12 553079503 SPVALUWKLXTIMR-UHFFFAOYSA-N 439.522 4.085 5 20 IIBD O=C(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)N1N=C(c2ccco2)C[C@H]1c1ccco1 554425629 JYOVMMHENHMJLJ-IBGZPJMESA-N 431.408 4.022 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 558797742 BEBPWPOXMKGNQA-MRXNPFEDSA-N 433.892 4.370 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N2CCn3c(cc4c(Cl)cccc43)C2)c([N+](=O)[O-])c1 559995105 OVQWPYGYNQCCOB-CYBMUJFWSA-N 428.876 4.054 5 20 IIBD C[C@H](Oc1ccccc1NC(=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 563490173 IIWNRKPPJIQZJG-SFHVURJKSA-N 447.491 4.374 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cccc(C(=O)Nc4ccccc4)c3)n2)c1 576861508 ATAUVGXONJGVKV-UHFFFAOYSA-N 430.420 4.497 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCCN(Cc3ccccc3)C2)cc1SC 577686568 NWWXWXDYZKXKJA-SFHVURJKSA-N 443.569 4.357 5 20 IIBD CN1CCC(N(Cc2ccccc2Br)C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 578269917 NPJGQDIWVMJZDE-UHFFFAOYSA-N 446.345 4.023 5 20 IIBD CC[C@]1(CNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)OCCc2ccccc21 579902189 WFZYZYMUKOWMKE-JOCHJYFZSA-N 440.887 4.084 5 20 IIBD COc1cc(OC)cc(-c2nnc(S[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)o2)c1 596617238 GFAHUGJGZLGWIE-GFCCVEGCSA-N 444.469 4.090 5 20 IIBD C[C@H]1CCCCN1Cc1ccc(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1 603895724 KTYGEXFPJOZBRS-SFHVURJKSA-N 433.512 4.085 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncc(Cc3ccccc3Cl)s2)c(F)c1 604024876 USXJWOWTVGWBHM-UHFFFAOYSA-N 427.866 4.235 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 604476376 ZIMLSSLBEYUYAA-OAQYLSRUSA-N 433.443 4.324 5 20 IIBD COc1ccc(Br)c(NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)c1 604542926 MLOOKWVAEDDCKO-UHFFFAOYSA-N 441.303 4.246 5 20 IIBD COc1cccc2c1OCC[C@H]2NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 604570611 DFDSXFMHYBIXAW-CYBMUJFWSA-N 442.415 4.354 5 20 IIBD COc1cccc(N2CCN(c3ccc(C(=O)Nc4ccc(C)cc4)cc3[N+](=O)[O-])CC2)c1 608971644 MSPOFCRDIYMWPM-UHFFFAOYSA-N 446.507 4.491 5 20 IIBD CCSc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cn1 609033415 NEVSKXBBSHLSMZ-UHFFFAOYSA-N 440.447 4.083 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCc4ccccc4[C@H]3C(N)=O)cc2[N+](=O)[O-])cc1 609347769 XOMACCRJLBCVPH-QFIPXVFZSA-N 447.516 4.279 5 20 IIBD CCOC(=O)c1c(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)sc2c1CC(C)(C)NC2(C)C 609443537 WVEQCKDMIKIDEM-UHFFFAOYSA-N 449.504 4.384 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N2CCCOC(C)(C)C2)cc1[N+](=O)[O-] 609755347 IUYKBGPELUTNSR-UHFFFAOYSA-N 428.510 4.189 5 20 IIBD O=C(NCCC(=O)N1CCCCCC1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609782228 VOTAJKSIFMKRCN-UHFFFAOYSA-N 426.473 4.301 5 20 IIBD O=C(c1ccc(Oc2ccc(F)c(F)c2)cc1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 609881007 ALQRCAIAVMLIKZ-HNNXBMFYSA-N 440.406 4.387 5 20 IIBD COc1ccc(CN[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 610271488 OXTQQWBKHKILBE-PTUXOGIPSA-N 426.513 4.476 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 610598117 UCMKHZHZWLVKOG-UWVGGRQHSA-N 434.720 4.216 5 20 IIBD Cc1nn(C)cc1[C@H]1CCCN1C(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 610729335 BMOBFGXKBDJMKY-GQIGUUNPSA-N 425.533 4.096 5 20 IIBD O=c1c2snc(-c3ccccc3)c2ncn1Cc1ccc([N+](=O)[O-])cc1C(F)(F)F 610946296 IIQUIVVDJAYXIO-UHFFFAOYSA-N 432.383 4.495 5 20 IIBD Cc1ccc(CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c(N2CCCC2)n1 611582718 BOMULXUBKDSQJY-UHFFFAOYSA-N 437.544 4.065 5 20 IIBD CN(Cc1nc2ccccc2n1C)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 682003992 WABRIQNQEQILLI-UHFFFAOYSA-N 432.430 4.118 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)ccc1[N+](=O)[O-] 725946562 AOZFKSREYKBPCA-INIZCTEOSA-N 434.448 4.055 5 20 IIBD O=C1CN(CNC2(c3ccc(Cl)cc3)CCCCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 726589495 APZMBCXUTXMZAS-UHFFFAOYSA-N 442.903 4.424 5 20 IIBD O=C1CCc2cc(-c3csc(NC(=O)c4cc(F)c(F)cc4[N+](=O)[O-])n3)ccc2N1 727706603 VQGXUIGBKGLVRG-UHFFFAOYSA-N 430.392 4.134 5 20 IIBD O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccccc1C(F)(F)F 728034714 QUVXPDXIGVVVJZ-MRXNPFEDSA-N 431.374 4.172 5 20 IIBD O=C(Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1)c1ccc2nccn2c1 728457574 LFKASSHLTORDJB-UHFFFAOYSA-N 427.372 4.235 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCc2nn(-c3ccccc3)c3c2CCC3)cc1SC 728650872 MNLHQXAHDAYOKT-UHFFFAOYSA-N 439.493 4.357 5 20 IIBD O=C(N[C@@H](c1ccccc1)C1CCC1)c1cc([N+](=O)[O-])ccc1I 729380886 XELLVGNWEMTYSU-KRWDZBQOSA-N 436.249 4.471 5 20 IIBD O=[N+]([O-])c1ccc(Sc2nnc(-c3ccccc3)s2)c(S(=O)(=O)N2CCCC2)c1 729987798 SFJAEAGJHPAACE-UHFFFAOYSA-N 448.551 4.049 5 20 IIBD CN(CCc1ccc(Br)cc1)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 730186219 KYHNQRRKFAVRFO-UHFFFAOYSA-N 442.107 4.435 5 20 IIBD Cc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(I)c([N+](=O)[O-])c2)s1 730498226 UUYGECFJCBJYMF-VIFPVBQESA-N 445.282 4.106 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1SC 731055979 UTMSTBVXRIOLJT-HXUWFJFHSA-N 434.489 4.050 5 20 IIBD Cc1ccc([C@@H](NC(=O)COC(=O)c2ccc([N+](=O)[O-])c(F)c2)c2cccs2)cc1 731519571 UKZKQEZRGNBRDR-HXUWFJFHSA-N 428.441 4.166 5 20 IIBD COC(=O)[C@@H](OC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(Cl)c1 733825683 XZXWOYHRHNLBOT-QFYYESIMSA-N 428.224 4.126 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)O[C@H]1CCCN(c2cccc(F)c2)C1=O 734567843 ALXWXHVXLGTAFJ-QHCPKHFHSA-N 444.462 4.033 5 20 IIBD CS[C@H](C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccccc1 740366123 YBSLEFHOZPFGET-INIZCTEOSA-N 428.388 4.200 5 20 IIBD O=C(Nc1cc(F)c(F)c(F)c1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 741400655 FJWLHVOQIPYWDU-UHFFFAOYSA-N 448.323 4.385 5 20 IIBD COCCCCCN(c1ccccc1OC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 742348354 CFNCRNFGYWPPSC-UHFFFAOYSA-N 442.921 4.269 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3ccc(SCC)nc3)CC2)ccc1[N+](=O)[O-] 744203944 KCQIORLDHUJVOE-UHFFFAOYSA-N 431.514 4.326 5 20 IIBD C[C@H](OC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(Cc2ccccc2)no1 744869368 JCJUNPZERAJBJT-QWHCGFSZSA-N 431.832 4.294 5 20 IIBD CCCN(Cc1ccccc1F)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 746181948 DLBFXHVPAOARRX-UHFFFAOYSA-N 431.283 4.097 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1ncc(Cl)cc1Cl 747126635 VTIZNDUALGLHGW-UHFFFAOYSA-N 438.145 4.111 5 20 IIBD Cc1ccc(C)c(C(=O)CCC(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)c1 750426688 NMGCLOUAFCLIOL-UHFFFAOYSA-N 425.485 4.029 5 20 IIBD C[C@@H](OC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)Nc1cc(Cl)ccc1F 750965862 PUBFPURIJWGSAF-MRVPVSSYSA-N 445.628 4.334 5 20 IIBD CN(C)C(=O)Sc1cccc(CSc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)c1 752808373 AQZMPHVCFXDVDO-UHFFFAOYSA-N 426.541 4.064 5 20 IIBD C[C@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F)c1ccc([N+](=O)[O-])cc1F 754105041 IOHVBNMNUDUKQZ-NSHDSACASA-N 429.326 4.337 5 20 IIBD O=C(Cc1c[nH]c2cccc(Br)c12)O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 754545932 QCMBLSZEXZJNHS-CVEARBPZSA-N 447.289 4.305 5 20 IIBD O=C(C[C@H]1CCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1ccccc1 755021503 KZIBNPPKUSMYAD-CQSZACIVSA-N 435.249 4.374 5 20 IIBD COCCCOc1cccc(CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c1 755024272 LJQWRZTUHUNYKH-UHFFFAOYSA-N 438.278 4.094 5 20 IIBD C[C@@H](OC(=O)Cc1cc(Cl)cc2c1OCC2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 755093006 QIRAJELIRAXDNO-LLVKDONJSA-N 429.816 4.080 5 20 IIBD CC[C@H](OC1CCCCC1)C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 761548255 IRFXHFMRZJLXQZ-INIZCTEOSA-N 432.395 4.223 5 20 IIBD CC(C)(C(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc([N+](=O)[O-])cc1F 762453676 BCSZBMQUFYOTAI-UHFFFAOYSA-N 429.360 4.318 5 20 IIBD O=C(NC[C@H](O)c1c(F)cccc1F)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 762532252 XTXDFWCIQWLPJG-SFHVURJKSA-N 430.432 4.488 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 762968936 SWDFVYPIMLPKHK-ROUUACIJSA-N 442.516 4.470 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 764587137 VRLUOARPCHJDJX-LSDHHAIUSA-N 437.562 4.472 5 20 IIBD C[C@@H](C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)cc1 766995530 IKZDKHXSYUHTSV-SNVBAGLBSA-N 441.665 4.296 5 20 IIBD O=C(NCCCNc1ncccn1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 767920168 NTFDTSBUQPHNKK-UHFFFAOYSA-N 443.916 4.421 5 20 IIBD O=C(Nc1cccc(F)n1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 768092413 YOSGNUZMIGNNEN-UHFFFAOYSA-N 441.488 4.207 5 20 IIBD COc1cc(C)ccc1Oc1ccc(NS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cn1 768267860 XBUKWEQFOHCREL-UHFFFAOYSA-N 447.444 4.347 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 768886425 DCDAFYMSVLMTPI-LLVKDONJSA-N 427.504 4.043 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccc(N)c(Cl)n2)c2ccccc2)c([N+](=O)[O-])c1 772078102 SLUXBEQBBBYSQU-SFHVURJKSA-N 440.843 4.071 5 20 IIBD COC[C@H](OC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1nccs1 774679262 YHTVGZBSUDFCDQ-UGSOOPFHSA-N 428.470 4.164 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc2ccccc12 778887507 LFNFIWNTFBKVSW-CYBMUJFWSA-N 444.390 4.384 5 20 IIBD COc1cc([C@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C(F)(F)F)cc(OC)c1OC 779067577 YHCOWNDXKFGAAE-QBUQCISBSA-N 440.374 4.054 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1cc2c(cc1F)NC(=O)CC2 780283165 NWGUAQQWFUCDBT-UHFFFAOYSA-N 446.456 4.160 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2nnc(S)n2CC)C1 780480951 VJJKAONPSQYSSW-ZDUSSCGKSA-N 435.575 4.017 5 20 IIBD O=C(OCc1nnc(-c2ccccc2)o1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781255238 ACBOTCZLTBVRCW-UHFFFAOYSA-N 433.370 4.367 5 20 IIBD O=C(NS(=O)(=O)c1c(Cl)cccc1Cl)c1ccc2[nH]c3ccccc3c(=O)c2c1 781444852 PXKGARVDXVLFNL-UHFFFAOYSA-N 447.299 4.107 5 20 IIBD Cc1c(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cccc1C(=O)Nc1ccccc1 781637396 ZNXOMESLFHQAPZ-JOCHJYFZSA-N 444.447 4.287 5 20 IIBD Cn1nc(C(F)(F)F)c(COC(=O)c2ccc([N+](=O)[O-])cc2Br)c1Cl 782338447 WLCCXDIWORPPIP-UHFFFAOYSA-N 442.575 4.120 5 20 IIBD COc1cc(N[C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c([N+](=O)[O-])cc1OC 784316623 ZEIATSZLHAAYTA-OAHLLOKOSA-N 428.489 4.041 5 20 IIBD O=C(Cc1cccc(OCC(F)(F)F)c1)O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 784529376 GNBKOBTZJQZMEI-HOTGVXAUSA-N 427.379 4.002 5 20 IIBD CC(C)(C)OC(=O)NCc1cccc(C(=O)O[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 786958975 OZSKTQGQIGORIZ-MSOLQXFVSA-N 444.488 4.157 5 20 IIBD C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 787341054 KIYIJUQWFNZPNP-GTNSWQLSSA-N 429.370 4.064 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H](C)Sc3ccccc32)c(C)c1[N+](=O)[O-] 790391427 KJUIIUKVDJXDOU-LLVKDONJSA-N 437.499 4.199 5 20 IIBD COc1cc(C(=O)N2CCC([C@H]3CCCN3C(=O)OC(C)(C)C)CC2)cc([N+](=O)[O-])c1C 790523483 KNPWWYWDBLRJHE-GOSISDBHSA-N 447.532 4.164 5 20 IIBD CSCCCCCCNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 790813419 FSHHIHBUUYOYEV-UHFFFAOYSA-N 430.368 4.348 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)COc1ccccc1Cc1ccccc1 791168779 QTLSBZXCJPPBNR-UHFFFAOYSA-N 434.448 4.055 5 20 IIBD COc1ccc(OC(=O)CSc2nncn2-c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] 792120109 ZWLSTFGPZVASFW-UHFFFAOYSA-N 428.470 4.005 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)O[C@H](C)C(=O)c1ccc(NC(=O)C(C)C)cc1 795710554 JCOKBBHYVJSLNR-CQSZACIVSA-N 428.441 4.016 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@@H](c2nc(Cc3cc(F)cc(Br)c3)no2)C1 795737568 LZUZLXVXDYUPMW-MRXNPFEDSA-N 447.220 4.336 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)C(C)(C)C 798809102 LGHOWRCAYOABOV-CYBMUJFWSA-N 444.326 4.027 5 20 IIBD CC(C)(CC(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC(=O)c1ccccc1 799570296 LKYMDEXAORGGCN-UHFFFAOYSA-N 432.860 4.419 5 20 IIBD O=[N+]([O-])c1ccc(Br)c(NNCn2nc(-c3cccs3)oc2=S)c1 802740245 CBLVJHNTXKGYKI-UHFFFAOYSA-N 428.293 4.179 5 20 IIBD O=C(OCc1c(F)cc([N+](=O)[O-])cc1F)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 803237684 FTJHSNVYLWMGEP-UHFFFAOYSA-N 445.344 4.247 5 20 IIBD CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1 803306957 VPIXHZFUASZJJU-SCLBCKFNSA-N 436.917 4.404 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N1Cc2cccc(Cl)c2C1 807815576 NOYVTNUDPJGBJI-UHFFFAOYSA-N 428.613 4.009 5 20 IIBD O=C1C[C@@H](c2noc(-c3cc([N+](=O)[O-])ccc3N3CCCCC3)n2)CN1Cc1ccccc1 809438931 GZAMYUXMQLFOTC-GOSISDBHSA-N 447.495 4.151 5 20 IIBD CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 809934296 PDGBHSVXAUMFDD-UHFFFAOYSA-N 439.299 4.321 5 20 IIBD C[C@@H](OC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(=O)N[C@@H]1CCOc2ccccc21 811374702 MEVCMPQHGFVXLQ-MEBBXXQBSA-N 439.251 4.087 5 20 IIBD O=C(COC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1cccc(N2CCCC2=O)c1 811374907 QPQZHRRYEZTNSE-UHFFFAOYSA-N 437.235 4.068 5 20 IIBD CC(C)(CCc1noc(-c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)n1)[N+](=O)[O-] 812813526 KLUCKCLLIHJONM-UHFFFAOYSA-N 428.449 4.173 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCN(C(=O)NCc3ccc([N+](=O)[O-])cc3)C2)C1 814362198 STKCOSIIKIMKNY-OALUTQOASA-N 446.548 4.164 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)n(-c2ccc([N+](=O)[O-])cc2)n1 815298077 ZYHJVJLILHUXCY-UHFFFAOYSA-N 435.318 4.268 5 20 IIBD O=[N+]([O-])c1ccc(C(F)(F)F)cc1-c1nc(-c2ccc(CN3CCOCC3)cc2)no1 904511783 KITJZKDOCDZUMI-UHFFFAOYSA-N 434.374 4.163 5 20 IIBD COc1ccc(CN(Cc2ccccc2)C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1 915116028 SMHIEIFTQWWUOE-UHFFFAOYSA-N 430.464 4.182 5 20 IIBD C[C@H](Nc1ccc(C(=O)OCc2nc3ccccc3n2C)cc1[N+](=O)[O-])c1ccccn1 920120089 HTEACKGYDBVHTH-HNNXBMFYSA-N 431.452 4.407 5 20 IIBD Cc1ccc(N2C(=O)/C(=C\c3cc([N+](=O)[O-])ccc3OC(F)F)NC2=S)cc1Cl 920836428 HTILDBLXUBFSEG-VGOFMYFVSA-N 439.827 4.420 5 20 IIBD Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3ccc([N+](=O)[O-])s3)cc2)cc1 929089114 MRACDOSECRHMLX-UHFFFAOYSA-N 432.479 4.009 5 20 IIBD CCN(Cc1ccccc1F)S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 1318892445 BGQICFCTEGWBTN-UHFFFAOYSA-N 431.283 4.016 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2C[C@@H]3CCCC[C@]32c2ccccc2)cc1[N+](=O)[O-] 1319178123 PLYLPCZLUZJNBD-MBSDFSHPSA-N 449.536 4.416 5 20 IIBD O=C(CCCc1ccncc1)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1 1785748495 QQPANNPQIGUYFR-UHFFFAOYSA-N 448.479 4.353 5 20 IIBD COc1cc(CC(=O)Nc2ccc(C3(NC(=O)C(C)(C)C)CCC3)cc2)ccc1[N+](=O)[O-] 1790477815 IHMMFPGCWSLVRN-UHFFFAOYSA-N 439.512 4.326 5 20 IIBD C[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C2 1802635635 HPHDRAQSFTUQHI-IITNATTFSA-N 449.551 4.044 5 20 IIBD Cc1c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3CCC3)[nH]n2)cc(Cl)cc1[N+](=O)[O-] 1821291457 UVOUYWNQPWABHM-QGZVFWFLSA-N 445.907 4.386 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccsc2)CC1 1825296191 DXBLHCWYMVIFPE-JXTAAOLFSA-N 443.525 4.196 5 20 IIBD C[C@@H]1CCC[C@@H]1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830622194 TUFJVFWBHZOGRG-PLMTUMEDSA-N 445.535 4.403 5 20 IIBD CC(C)Cc1ccc(C(=O)N2CCCC23CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C3)cc1 1845464129 KFDCBXGRAIOJHT-UHFFFAOYSA-N 449.551 4.243 5 20 IIBD Cc1cscc1C(=O)N1CC2(CCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)C1 1845499476 YQUPFAUCBJFNHF-UHFFFAOYSA-N 433.917 4.057 5 20 IIBD Cc1c(C(=O)N2CC3(CCCN3C(=O)C3(C(C)C)CCC3)C2)cc(Cl)cc1[N+](=O)[O-] 1846746990 BHTPPWIMXOUMPL-UHFFFAOYSA-N 433.936 4.200 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(Nc2ccccc2F)s1 10316570 YQEFZHFABYUDNB-UHFFFAOYSA-N 435.462 4.068 5 20 IIBD Cc1ccc(-c2nc(C)sc2CC(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 11218915 SAWBYJCVIXRQHO-UHFFFAOYSA-N 443.456 4.199 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 15409410 UWAIFKRULFAJSG-INIZCTEOSA-N 431.514 4.027 5 20 IIBD C[C@@H](OC(=O)COc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 16905452 ITBOXNLYHQTLHZ-SNVBAGLBSA-N 446.765 4.216 5 20 IIBD O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NCCc1ccc(OC(F)F)cc1 18275323 JXVBYXWCPCRYFC-UHFFFAOYSA-N 439.465 4.257 5 20 IIBD O=C(COC(=O)c1ccccc1SCc1ccco1)Nc1ccc(F)c([N+](=O)[O-])c1 18410257 LVXUYHWUMUXQGD-UHFFFAOYSA-N 430.413 4.415 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 19425831 FZQUHLSSOFKNHA-UHFFFAOYSA-N 449.847 4.391 5 20 IIBD C[C@@H](Sc1nnc(-c2ccccc2F)n1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 22210965 JGVDVSHYIKMRRS-SNVBAGLBSA-N 435.868 4.302 5 20 IIBD Cc1csc(Sc2ccc(C(=O)O[C@@H](C)C(=O)NC3CCCC3)cc2[N+](=O)[O-])n1 28870773 QUFMHAZXFHKVIC-LBPRGKRZSA-N 435.527 4.115 5 20 IIBD C[C@@H]1c2cccn2CCN1C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 30264665 SUFAXPCNCJWFFC-CQSZACIVSA-N 436.434 4.235 5 20 IIBD O=C(CCn1cc([N+](=O)[O-])cn1)N(Cc1ccsc1)c1ccc(Br)cc1 63596184 JPZNSMWYDIENMM-UHFFFAOYSA-N 435.303 4.239 5 20 IIBD O=C(c1ccccc1)c1ccc(N2CCCN(C(=O)c3ccsc3)CC2)c([N+](=O)[O-])c1 71964394 HAACIHMBVNOTNO-UHFFFAOYSA-N 435.505 4.240 5 20 IIBD Cc1cc(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)n(-c2ccccn2)n1 216739071 GQHPJHNCPGHNSK-IYBDPMFKSA-N 434.500 4.219 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)s1 301933455 NJOYLHTWEHYPFU-UHFFFAOYSA-N 449.485 4.063 5 20 IIBD O=C(Nc1cccc(OC2CCCC2)c1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303411932 ALCXCJFTZUIWDE-KRWDZBQOSA-N 429.498 4.221 5 20 IIBD COc1cccc(OC)c1Oc1ccc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)cn1 409677118 CNYHXNWNFRQBQV-UHFFFAOYSA-N 438.440 4.429 5 20 IIBD CCOc1cc(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)c([N+](=O)[O-])cc1OC 426274702 AZCHWHYXIKGSEY-UHFFFAOYSA-N 448.888 4.350 5 20 IIBD CCc1cc(N2CCC(OC[C@@H]3CCCCO3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 426355989 GFMBJLXSAMRSOZ-NRFANRHFSA-N 426.517 4.169 5 20 IIBD O=C(O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 426826936 UQZJUMPUPMYNTK-GZSQKZNCSA-N 432.480 4.036 5 20 IIBD CCOC(=O)[C@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(OC)c(F)c1 428388440 ISJYUWMJDBXYLE-OAQYLSRUSA-N 428.416 4.397 5 20 IIBD C[C@H](Nc1ccc(C(=O)N(C)CC2(O)CCCCCC2)cc1[N+](=O)[O-])c1ccccn1 428617748 JFXUXBAGHPYQOE-KRWDZBQOSA-N 426.517 4.320 5 20 IIBD C[C@H](O)CN(C)C(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2 428679216 ZHYAKCWJMINMSP-CQUHBBLWSA-N 431.492 4.473 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC(C(F)(F)F)(C(F)(F)F)C1 430624515 IIFSOKHGVBCFQK-UHFFFAOYSA-N 435.118 4.314 5 20 IIBD COc1cc(C(=O)Nc2cc(Br)ccc2OC(C)C)c([N+](=O)[O-])cc1OC 434335503 NHLPBDIBMCPXIA-UHFFFAOYSA-N 439.262 4.414 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccccc1 435934021 HVWITENNKAUDJZ-HSZRJFAPSA-N 428.488 4.494 5 20 IIBD O=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437763269 WXTYMUNWTYQGCG-GOSISDBHSA-N 429.448 4.488 5 20 IIBD O=C(NC[C@H]1CCCN1C1CCCCC1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 437844013 NXFRUQUICUOUQU-GOSISDBHSA-N 439.506 4.486 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccc(OCC(F)(F)F)nc1 438814203 WAJAXOVAVKEWQQ-UHFFFAOYSA-N 446.190 4.039 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CC)Cc1cccc(-c2ccncc2)c1 440065680 BCLVXNNPHUBXNJ-UHFFFAOYSA-N 448.479 4.043 5 20 IIBD Cc1ccc(OCc2ccccc2)c(NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 442422859 VBLYMBMINNMYSZ-UHFFFAOYSA-N 434.448 4.435 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 442946388 YMQVMTUXWPHEHM-CYFNAFFESA-N 434.876 4.337 5 20 IIBD Cc1nc[nH]c1CNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 443219540 ZWVWMGBEIOMUSZ-UHFFFAOYSA-N 425.495 4.317 5 20 IIBD COc1cccc([C@@H]2[C@@H](c3nc(-c4ccc(C)c([N+](=O)[O-])c4)no3)CC(=O)N2C2CC2)c1 445214477 YRAMLIWYRAERTJ-GHTZIAJQSA-N 434.452 4.181 5 20 IIBD COc1cc(Cc2noc(-c3cc(C4CC4)n(C(C)(C)C)n3)n2)c([N+](=O)[O-])c(OC)c1 445819607 BQAZUQSNQXJPNL-UHFFFAOYSA-N 427.461 4.082 5 20 IIBD COc1ccccc1[C@H](CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)N1CCCCC1 447541766 MZIBDYDRCMRFLW-ACRUOGEOSA-N 427.549 4.100 5 20 IIBD Cc1cccc(-c2nnc(N3CCc4ccc([N+](=O)[O-])cc4C3)n2Cc2cccs2)n1 461296926 UDDLGGSPGIUGFX-UHFFFAOYSA-N 432.509 4.229 5 20 IIBD O=C(c1ccccc1SCc1cscn1)N1CCOc2ccc([N+](=O)[O-])cc2C1 461387586 OGYPGHLXTOXQFK-UHFFFAOYSA-N 427.507 4.378 5 20 IIBD Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NCc1cc([N+](=O)[O-])ccc1OC(C)C 462199672 NKBMRIAPROKUMU-UHFFFAOYSA-N 435.546 4.331 5 20 IIBD Cc1nc(C)c(CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(F)c(F)c2)s1 462558700 ZIUFFSITQIKXQV-UHFFFAOYSA-N 439.465 4.342 5 20 IIBD C[C@H]1C[C@H](c2ccccc2F)N(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 462634558 ZTKRDJZYQYGRRY-XHDPSFHLSA-N 443.294 4.268 5 20 IIBD Cc1ccc(NC(=O)C(C)(C)C)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 463531196 JMSZPASWLUWXKX-UHFFFAOYSA-N 442.497 4.237 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(Br)cc1C(F)(F)F 467427603 DROVYBWETSUPQX-UHFFFAOYSA-N 439.209 4.485 5 20 IIBD C[C@@H](NCc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O)c1cccc([N+](=O)[O-])c1 467871728 OUFZMLPEFCDGNE-QGZVFWFLSA-N 436.512 4.200 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])Nc1cc(I)ccc1Cl 467928765 WRHPFYHMBBCRJR-UHFFFAOYSA-N 431.617 4.175 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC=C(c2cccc3ccccc23)CC1 468635096 LSVJQKLXCLBXEH-NRFANRHFSA-N 433.512 4.296 5 20 IIBD CC(C)Oc1ccc(-c2cccc([C@H](C)N(C)C(=O)Cn3cc([N+](=O)[O-])ccc3=O)c2)cc1 470882143 XUENWDPLHYOBER-SFHVURJKSA-N 449.507 4.430 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CC[C@@]3(C2)OCc2ccccc23)cc1[N+](=O)[O-])c1ccccn1 471597827 RGPDLEABWZSMQD-NSYGIPOTSA-N 444.491 4.435 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(COc2ccccc2)c1C 472398955 UPPGNCZCZUEXJA-IBGZPJMESA-N 437.500 4.353 5 20 IIBD COc1ccc(C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2OC)c2ccccc2)cc1OC 475590199 VLECMHBBOVYNEC-IBGZPJMESA-N 436.464 4.334 5 20 IIBD C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCc2c([N+](=O)[O-])ncn2C)nnc1-c1ccco1 476489338 WLZKWMQMTCWUME-AJNGGQMLSA-N 428.518 4.469 5 20 IIBD CCc1c(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2)cnn1-c1ccccc1Cl 479995059 YTAWJRPGMJUTBV-UHFFFAOYSA-N 428.832 4.035 5 20 IIBD CCc1ccc([C@@H]2CN(C(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)CCO2)cc1 482032218 ZWMOIFXQEJFPGG-QHCPKHFHSA-N 448.523 4.233 5 20 IIBD COc1ccc(CSCC(=O)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)cc1[N+](=O)[O-] 482315207 KVQRCAMSDCRSRG-INIZCTEOSA-N 434.489 4.394 5 20 IIBD Cc1cc(S(C)(=O)=O)cc(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)c1C 484862733 WBBOXHUTJDPEKK-AWEZNQCLSA-N 445.541 4.104 5 20 IIBD NC(=O)c1ccc(SCC(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)c([N+](=O)[O-])c1 485678892 QQUJCRCDYIWVBO-UHFFFAOYSA-N 443.431 4.370 5 20 IIBD CC(C)NC(=O)Cc1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1 486344933 WLPUDVRWVBPKMA-UHFFFAOYSA-N 447.491 4.493 5 20 IIBD Cc1ccccc1COc1cccc(CC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 487014295 UMCSJLRLROHGLX-UHFFFAOYSA-N 434.496 4.085 5 20 IIBD CCOC(=O)c1cc(C(=O)NCc2ccnc(Oc3ccccc3F)c2)cc([N+](=O)[O-])c1 487677900 PLWIDKIKWYXMJR-UHFFFAOYSA-N 439.399 4.028 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 487773355 OYBPCBXPXVWDSS-UHFFFAOYSA-N 433.445 4.126 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)cc1[N+](=O)[O-] 488043812 ACWZGJBJWCDLJC-RHSMWYFYSA-N 449.429 4.148 5 20 IIBD COc1ccc(CCN(Cc2ccsc2)C(=O)Cc2ccccc2[N+](=O)[O-])cc1OC 488353658 VRMZMSNIGYXPQT-UHFFFAOYSA-N 440.521 4.488 5 20 IIBD CCOC(=O)c1ccnc(N2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)c1[N+](=O)[O-] 488481284 SYGDGEGWBPQBPH-BLLLJJGKSA-N 439.390 4.152 5 20 IIBD CCn1c(S[C@@H](C(=O)N2CCCC[C@@H]2C)C(C)C)nnc1-c1ccc([N+](=O)[O-])cc1 489410923 VEBJAPLRJRSOCV-MAUKXSAKSA-N 431.562 4.391 5 20 IIBD O=C(Nc1ccc2nccnc2c1Br)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 490833304 DKECHDDIVIJFMY-UHFFFAOYSA-N 442.273 4.497 5 20 IIBD CCc1cnccc1CNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 490908620 FMPWNOQPSWFDIE-UHFFFAOYSA-N 436.434 4.104 5 20 IIBD COc1ccc(CCC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1Br 493150394 IEMTUWSZLXHATF-UHFFFAOYSA-N 433.302 4.490 5 20 IIBD CCOC(=O)c1sc(N(Cc2ccc(F)cc2)C(=O)c2ccc([N+](=O)[O-])o2)nc1C 493155543 LDBRNZRFPYCCSW-UHFFFAOYSA-N 433.417 4.116 5 20 IIBD CCN([C@@H](C)Cc1ccsc1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 494568249 XFDWOFUKBYXCMT-NSHDSACASA-N 433.349 4.061 5 20 IIBD COC(=O)C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 495757052 DLJUXNCPBZNYPB-OAHLLOKOSA-N 431.876 4.028 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)NCc1ccccc1CN1CCCCCC1 497293922 NQFTXCJAYBSMSQ-GOSISDBHSA-N 440.544 4.096 5 20 IIBD O=C(NC[C@H](c1ccco1)N1CCCCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 497696269 LZJGVFXPPIUZDN-GOSISDBHSA-N 426.498 4.268 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CC(C)(C)c3c(Cl)cccc32)cc1OC 499995286 NPCRRYOGUCPBBN-UHFFFAOYSA-N 434.876 4.220 5 20 IIBD CC(C)(NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)c1nccs1 501040283 PQWFUHXAHBQNQI-UHFFFAOYSA-N 448.551 4.254 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 503240744 HRZZRIAOLHJIIL-SFHVURJKSA-N 431.901 4.214 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 505158625 LILYELCMPZQNET-OAHLLOKOSA-N 448.504 4.312 5 20 IIBD C[C@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccccc2)cc1 506335365 PXJGPDHQUDQQBX-KRWDZBQOSA-N 433.464 4.384 5 20 IIBD CC1CCN(C(=O)c2ccc(NC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)cc2)CC1 509138976 OFTGVZYVLPAVDX-UHFFFAOYSA-N 447.495 4.120 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCCC3CCOCC3)c([N+](=O)[O-])c2)c(C)c1 511652422 CIICQYIAWHOIIH-UHFFFAOYSA-N 433.530 4.241 5 20 IIBD CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 511800822 DKPQXKQSIQDKLW-LJQANCHMSA-N 433.455 4.227 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(CSc2ccccn2)c1 512660820 LHNZDPNIRKGYTM-UHFFFAOYSA-N 436.493 4.041 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@H]2c2nc3ccccc3n2C)cc1C 516332143 XTEYVCFQSKJAJQ-SFHVURJKSA-N 428.514 4.014 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cccc(-c2nc(CC(F)(F)F)no2)c1 516605184 VNJINUDUXJKKSI-UHFFFAOYSA-N 435.362 4.380 5 20 IIBD Nc1c(C(=O)N[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)cc(F)cc1[N+](=O)[O-] 517855000 VYFRCMSEIZEAIS-CQSZACIVSA-N 430.436 4.386 5 20 IIBD C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 519121863 RDICVEXHLMSFMO-ZMZPIMSZSA-N 437.315 4.335 5 20 IIBD CC(C)C[C@H](CNC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)N[C@H](C)c1ccccc1 520393765 VZNYGMOBLZRVGV-SJLPKXTDSA-N 436.512 4.344 5 20 IIBD O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 521497771 PVWDPCPBXAVZNZ-UHFFFAOYSA-N 428.342 4.096 5 20 IIBD C[C@H](c1ccc(OC(F)(F)F)cc1)[S@@](=O)Cc1cc([N+](=O)[O-])cc2c1OCOC2 521743535 CNDBOPKSKLOCIR-BFHBOCCVSA-N 431.388 4.370 5 20 IIBD Cc1cccc2c(=O)n(CC(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cnc12 522671613 WFAMYDLQYJNJMP-UHFFFAOYSA-N 430.420 4.044 5 20 IIBD COc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2Br)c(OC)cc1Cl 523110811 GDZVWPUNYZTTOP-UHFFFAOYSA-N 445.653 4.045 5 20 IIBD Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cc1 523141552 VUWVGGHTRNZPCM-BXKMTCNYSA-N 446.507 4.371 5 20 IIBD O=C(Cc1csc(-c2ccc3c(c2)OCO3)n1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 523550762 XVMLAOSKNDGPLZ-UHFFFAOYSA-N 449.448 4.018 5 20 IIBD Cc1c(C(=O)N2Cc3ccccc3-c3ccccc3C2)nnn1-c1cccc([N+](=O)[O-])c1 523612855 XEGDWGIWVUGGQR-UHFFFAOYSA-N 425.448 4.307 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@@H]3CCC[C@@H](C)C3)cc2)cc1[N+](=O)[O-] 525522817 BROUBFGZJANBLK-GDBMZVCRSA-N 431.514 4.469 5 20 IIBD CCn1c2ccccc2c2cc(NC(=O)C(=O)NCCc3cccc([N+](=O)[O-])c3)ccc21 533961048 GDDKBERRUDLKBK-UHFFFAOYSA-N 430.464 4.020 5 20 IIBD Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534796214 HPWARFYIGKFBBI-FOMLNJCSSA-N 441.509 4.073 5 20 IIBD C[S@](=O)Cc1cc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])ccc1Cl 538323452 NJPFNDOIEMLMSR-LJAQVGFWSA-N 429.885 4.441 5 20 IIBD COc1ccc(-c2ccc(CN3CCn4c(nnc4-c4ccccc4)C3)o2)c([N+](=O)[O-])c1 538763091 DYIQAYBYNUPQGR-UHFFFAOYSA-N 431.452 4.138 5 20 IIBD O=C(N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 539444629 KNEBTNYXGMRMOT-AEFFLSMTSA-N 431.420 4.257 5 20 IIBD CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@@H]1CCCC[C@H]1S(C)(=O)=O 539834269 PNWMSPDDTAVKOH-IEBWSBKVSA-N 426.922 4.296 5 20 IIBD O=C(CN[C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)Nc1ccccc1[N+](=O)[O-] 542015525 LYKNUCOIHYGCNV-OAHLLOKOSA-N 437.296 4.325 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 542584766 LOWSQKBBAYMQSU-CYBMUJFWSA-N 440.500 4.406 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 542720481 YPQNLJVDYZBXFI-UHFFFAOYSA-N 441.246 4.031 5 20 IIBD CCc1ccc(-c2noc([C@H](C)NCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)n2)cc1 543549740 WXCMAYJIQBAUBW-LBPRGKRZSA-N 429.864 4.150 5 20 IIBD CC(=O)N[C@H](C)CCc1ccc(C(=O)COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 544074558 FOYKABMNBSQLDB-CYBMUJFWSA-N 438.402 4.333 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)c1 549012350 MCXLBRYKQAJBBM-UHFFFAOYSA-N 436.386 4.146 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N(Cc2ccc(OC(F)F)c(OC)c2)C2CC2)c1 554881475 HWUPHOSWIIFAFH-UHFFFAOYSA-N 436.411 4.408 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 557564420 RXEYTHOJFOJQBJ-SVFBPWRDSA-N 435.505 4.363 5 20 IIBD CN(Cc1csc2ccccc12)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 560169046 WQPDGICOXJMVAL-UHFFFAOYSA-N 448.298 4.169 5 20 IIBD CCOC(=O)C(C)(C)C1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 561066664 BFRLGUGFMXVHGD-UHFFFAOYSA-N 428.938 4.168 5 20 IIBD O=C1NC2(CCCC2)C(=O)N1c1cccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 564434353 TZZMFOJAJDJISB-OAQYLSRUSA-N 434.496 4.131 5 20 IIBD CCOc1c(Cl)cc(CN[C@H](c2cccc([N+](=O)[O-])c2)c2nccn2C)cc1OC 569219723 ZQEYGXGLGSKUAQ-LJQANCHMSA-N 430.892 4.268 5 20 IIBD NC(=O)c1ccnc(Nc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)c1[N+](=O)[O-] 576676658 MUUGPRQRYWZRMH-UHFFFAOYSA-N 432.358 4.430 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(COc3ccc4ccccc4c3)no2)c1N1CCOCC1 579055407 KRJOYTPBDYKJRL-UHFFFAOYSA-N 432.436 4.214 5 20 IIBD O=C(NC[C@]1(CO)C[C@H]1c1ccccc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 582817260 GXNSTFQYVQRTHU-DHLKQENFSA-N 432.476 4.070 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2c2nc(Cc3ccc4ccccc4n3)no2)ccc1[N+](=O)[O-] 589089357 UYRUOURDTBGMJZ-OAQYLSRUSA-N 443.463 4.403 5 20 IIBD Cc1cc(S(N)(=O)=O)cc(NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)c1C 600848182 DTQMFEPDPJTJKU-UHFFFAOYSA-N 445.472 4.403 5 20 IIBD COc1cc([C@H]2NC(C)(C)C(=O)N2CC2CCCCC2)c([N+](=O)[O-])cc1OCC(F)F 602754962 FBBVJKHRMPYYBZ-IBGZPJMESA-N 441.475 4.037 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2N2CCCCCC2)cc1OC 603177240 OFSYJRUAFQXNBM-UHFFFAOYSA-N 443.500 4.261 5 20 IIBD Cc1cc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])n(Cc2ccccc2)n1 603737168 DNPYJFKNFOUSQZ-UHFFFAOYSA-N 434.374 4.341 5 20 IIBD C[C@@H]1CN(Cc2ccccc2CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 603769810 RACITJARTUNNTI-KZNAEPCWSA-N 443.569 4.001 5 20 IIBD O=[N+]([O-])c1ccc(OCCCSc2ncnc3c2cnn3-c2ccc(F)cc2)cc1 603946546 HFBNURLNAXDOIZ-UHFFFAOYSA-N 425.445 4.424 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]1c1cccc(Br)c1 604043337 KBKSKKCEIIBODF-INIZCTEOSA-N 425.304 4.192 5 20 IIBD CNC(=O)c1ccc(CN(C)c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])cc1 608972853 JVGIBJYDUNLLSR-UHFFFAOYSA-N 432.480 4.152 5 20 IIBD COc1cc(CN2CCC[C@H]2c2cccc3c2OCCO3)c([N+](=O)[O-])cc1OC(F)F 608977567 RZZSIXCYIAZYFO-HNNXBMFYSA-N 436.411 4.313 5 20 IIBD COc1ccccc1[C@H]1CCCN1c1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] 609039754 HVDNZKFOTJJPNC-LJQANCHMSA-N 445.541 4.120 5 20 IIBD COc1cc(OCC(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)ccc1[N+](=O)[O-] 609530009 DIUHDXZWMLJKAE-UHFFFAOYSA-N 427.432 4.009 5 20 IIBD O=C(Nc1nnc(C2CC2)s1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 609852552 LWQCAYRJJVBKKF-UHFFFAOYSA-N 425.257 4.069 5 20 IIBD CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 609853534 YGYPJYOYXUKLCY-UHFFFAOYSA-N 429.782 4.368 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Oc2ccc(OC)cc2)nc1 610194550 KQNZEYAUCRDGQW-UHFFFAOYSA-N 429.454 4.154 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](Cc1ccccc1)c1ccccc1F 619486453 SYYCSXITOICUIO-SFHVURJKSA-N 430.457 4.005 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)[C@@H](OC2CCCC2)c2ccccc2)c([N+](=O)[O-])c1 727017980 PXQPHPCRAQMYOD-BTYIYWSLSA-N 442.468 4.174 5 20 IIBD O=C(COC(=O)CCc1ccccc1OC(F)(F)F)Nc1cc(Cl)ccc1[N+](=O)[O-] 727555479 XJYRCZXCKZUDAL-UHFFFAOYSA-N 446.765 4.261 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(N[C@H](C)c2ccc(F)c(Br)c2)c1[N+](=O)[O-] 731028755 NSJQVDXTQKUTBY-SECBINFHSA-N 428.214 4.378 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1COC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 733475280 ZXIVZLPRHPGGCT-OAHLLOKOSA-N 433.486 4.275 5 20 IIBD CCN(C)C(=O)c1cccc(OC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1 733765375 SWBZBFBZTZOHGU-IAGOWNOFSA-N 439.512 4.388 5 20 IIBD CCc1ccc(OC(=O)CSc2nnc(-c3cccc(C)c3)n2CC)c([N+](=O)[O-])c1 734739750 MPKDFLMPDXTIID-UHFFFAOYSA-N 426.498 4.442 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])O[C@@H]1CCN(c2ccccc2Cl)C1=O 735147518 LZZSRWDAJNLULC-QGZVFWFLSA-N 439.251 4.019 5 20 IIBD O=C(COc1ccc(-c2ccccc2)cc1)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 735333579 BNCWKDSMQKUANJ-UHFFFAOYSA-N 448.431 4.182 5 20 IIBD O=C(CCCc1nc(C2CC2)no1)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 739684215 MSYOQNQUKOXHEU-UHFFFAOYSA-N 436.424 4.036 5 20 IIBD Cc1ccc(NCCCNC(=O)c2ccccc2N(C)C(=O)c2ccco2)c([N+](=O)[O-])c1 739814848 QOCTTYIURHYZPC-UHFFFAOYSA-N 436.468 4.005 5 20 IIBD C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Cl)cc2)no1 742940729 FXHMKSAXOPGKQA-CYBMUJFWSA-N 429.864 4.368 5 20 IIBD O=C(Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cnccn1 744282536 AGKJYHULSHKDDM-UHFFFAOYSA-N 433.207 4.163 5 20 IIBD O=C(CCc1ccccn1)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 745524683 YTPKMGPOZIEHIB-NRFANRHFSA-N 439.855 4.499 5 20 IIBD CCCCO[C@H]1C[C@H](OC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C1(C)C 749064031 DQEAXHHQGISLIT-IRXDYDNUSA-N 434.518 4.015 5 20 IIBD O=[N+]([O-])c1cccc([C@H](O)CSc2nnc(-c3ccncc3)n2Cc2ccccc2)c1 749641928 VKGNIHHZHQUGEM-HXUWFJFHSA-N 433.493 4.122 5 20 IIBD Cc1ccccc1Cc1noc(COC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1 750884191 PECYRUKHCDTLGU-UHFFFAOYSA-N 436.449 4.358 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2ccc3c(c2)ncn3C)c2ccccc2)c([N+](=O)[O-])c1 753465915 VNIQPFLOZYUOAA-JOCHJYFZSA-N 444.447 4.327 5 20 IIBD C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 755019731 KUVJSTYQRGIYJA-UCQJPZFISA-N 433.804 4.130 5 20 IIBD Cc1cc(C)c(NC(=O)CN(C)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c(C)c1 755032203 ZAJVWXPIZPCHIR-UHFFFAOYSA-N 449.305 4.385 5 20 IIBD C[C@@H]1CCN(C(=O)COC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c2ccccc2S1 756769189 SRYBNKDYUFOYKP-CYBMUJFWSA-N 425.466 4.150 5 20 IIBD COc1cc(C(=O)O[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)c([N+](=O)[O-])cc1OC 758907790 PHFCGVSOVABFLN-CYBMUJFWSA-N 427.413 4.197 5 20 IIBD C[C@H](Cc1ccccc1Br)NC(=O)c1cc([N+](=O)[O-])ccc1Br 759811161 MERKIXGFGNQMOT-SNVBAGLBSA-N 442.107 4.481 5 20 IIBD CC(C)c1nc2cc(NS(=O)(=O)c3ccc(Br)c([N+](=O)[O-])c3)ccc2o1 760337672 JXOLQWJERFXTQZ-UHFFFAOYSA-N 440.275 4.423 5 20 IIBD O=C(CN[C@@H](c1ccccc1)C(F)(F)F)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 761449102 AGKIMAITNNCCPH-SFHVURJKSA-N 435.358 4.186 5 20 IIBD CCc1noc2ncc(S(=O)(=O)Oc3ccc(Cc4ccccc4)cc3[N+](=O)[O-])cc12 762540503 YCKXNPZQKUEGSP-UHFFFAOYSA-N 439.449 4.052 5 20 IIBD CCC[C@H](CCO)CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 763006557 OXBFVUUFAKIQST-CQSZACIVSA-N 433.892 4.029 5 20 IIBD CC[C@H](C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc(F)cc1 764655752 LZLZDRNUHOPJMJ-AWEZNQCLSA-N 428.338 4.428 5 20 IIBD CC[C@H](OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1cccc(Br)c1 768173975 HCMNKCNLXYADIK-HNNXBMFYSA-N 442.287 4.069 5 20 IIBD CC(C)n1c([C@H]2CCCN(S(=O)(=O)c3csc([N+](=O)[O-])c3)C2)nc2ccccc21 768845516 FATBNMWDZOVYCL-AWEZNQCLSA-N 434.543 4.155 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)CCC(=O)c2ccccn2)c2ccccc2)c([N+](=O)[O-])c1 770490997 RKRSDWOFOHGWSC-HSZRJFAPSA-N 447.447 4.184 5 20 IIBD COc1ccc(-n2nc(C(=O)OCc3coc(-c4ccc([N+](=O)[O-])cc4)n3)cc2C)cc1 771169388 FGQJLTFHFOYCBB-UHFFFAOYSA-N 434.408 4.110 5 20 IIBD CCCC[C@H](OC(=O)c1sc(Br)cc1[N+](=O)[O-])C(=O)Nc1cc(C)on1 773614418 WGOMEKOQNZJUCS-JTQLQIEISA-N 446.279 4.070 5 20 IIBD CCOc1c(Br)cc(C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)cc1OC 773981811 KBFNIVYRRWNHBH-UHFFFAOYSA-N 435.274 4.276 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H](c1ccc(Br)cc1)C(C)(C)[N+](=O)[O-] 774373172 KXNAXNNFRPDCEO-FZMZJTMJSA-N 445.310 4.002 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(-n2cnc3ccccc32)nc1 775006668 BIILQIWWALHUMW-UHFFFAOYSA-N 441.403 4.341 5 20 IIBD C[C@H](NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1cccc(OC(F)(F)F)c1 775549551 XKISEGWXGVSDOB-LBPRGKRZSA-N 425.363 4.142 5 20 IIBD O=C(Nc1ccccc1)c1ccc(OS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 778661007 RYDUZIOMKFAWFZ-UHFFFAOYSA-N 432.841 4.268 5 20 IIBD CCOc1cc(CNc2ccc(Cl)nc2)ccc1OCCn1c([N+](=O)[O-])cnc1C 779154614 WYADSGPFXILSNF-UHFFFAOYSA-N 431.880 4.238 5 20 IIBD C[C@@H](OC(=O)c1cccc(Br)c1Cl)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 780132117 URISAFIDRHBTJR-MRVPVSSYSA-N 445.628 4.334 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC[C@H]1NC(=O)OC(C)(C)C 780776097 LNWLKLSEZWAVNV-DNVCBOLYSA-N 435.524 4.057 5 20 IIBD COc1cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(OC)c1C(C)C 781297785 IHWCJPFCENGNBE-UHFFFAOYSA-N 436.848 4.184 5 20 IIBD O=C(NCc1ccc(COCc2ccccc2)cc1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781615652 ZLOKLUUCEYAXIZ-XMMPIXPASA-N 445.475 4.121 5 20 IIBD Cc1cc(=O)c(C(=O)O[C@@H](C)c2cccc(OC(C)C)c2)nn1-c1ccccc1[N+](=O)[O-] 781670730 PRSYHNHEWBNRDQ-INIZCTEOSA-N 437.452 4.154 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCc1ccc(F)cc1Br 781736954 KCNKUFHJIQRJPX-UHFFFAOYSA-N 427.182 4.081 5 20 IIBD COC(=O)[C@](C)(NCc1ccc([N+](=O)[O-])cc1Cl)c1cccc(Br)c1 782480335 AGUORRQWXJQPKN-QGZVFWFLSA-N 427.682 4.189 5 20 IIBD O=C(NCc1ccc(N2CCOC2=O)cc1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 783548067 WWYCTYMGSWRYNN-UHFFFAOYSA-N 446.463 4.094 5 20 IIBD CC(C)n1cc2c(n1)[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)CCC2 787315396 SWNUHXBKIAIAQB-INIZCTEOSA-N 425.411 4.268 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(I)c1)c1cnc(-c2ccco2)s1 788108128 NRGBJIYODJJECS-UHFFFAOYSA-N 441.206 4.168 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NOC[C@@H]1CCOC1 788573402 DUYRELRSHFUYNF-PCJMVEANSA-N 439.493 4.220 5 20 IIBD COc1ccc(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(OC(F)F)c1 789238326 CVVDKAWIULSAIP-SNVBAGLBSA-N 435.339 4.173 5 20 IIBD CN(C)c1cc(F)c(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc1[N+](=O)[O-] 791359919 IDRSJFHVEULDQX-UHFFFAOYSA-N 428.445 4.111 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 792812582 QYEZOZRRWIXDAG-UHFFFAOYSA-N 440.500 4.213 5 20 IIBD CC1(C)C[C@@H](NCc2ccc(N3C(=O)N[C@](C)(C4CC4)C3=O)cc2)c2cc([N+](=O)[O-])ccc21 793569534 UCMZGQZJQHLGBG-PXDATVDWSA-N 448.523 4.332 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC1=CCN(C(=O)OC(C)(C)C)CC1 794172763 JECPBQUTAPEKNN-LJQANCHMSA-N 431.533 4.237 5 20 IIBD CC(C)[C@H](NC(=O)COc1cc(F)c([N+](=O)[O-])cc1Cl)c1ccc2c(c1)OCCO2 795246730 ZTFMKUNJNGVLOR-FQEVSTJZSA-N 438.839 4.051 5 20 IIBD C[C@H](NC(=O)COc1cc(F)c([N+](=O)[O-])cc1Cl)c1ccc(Br)cc1 795247088 CLMVAARGCJKWMH-VIFPVBQESA-N 431.645 4.406 5 20 IIBD COc1ccc(C2=N/C(=C\c3csc(-c4ccc(F)cc4)n3)C(=O)O2)cc1[N+](=O)[O-] 796734678 RASCXHFGFNHHDO-DHDCSXOGSA-N 425.397 4.211 5 20 IIBD O=C(c1c[nH]nc1-c1ccsc1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 803545532 HDHIPMCACAKROM-UHFFFAOYSA-N 433.287 4.007 5 20 IIBD CC(C)(C)OC(=O)NCCN(Cc1ccccc1)c1ncnc2sc([N+](=O)[O-])cc12 804618230 OOOXLXOSKCDRNA-UHFFFAOYSA-N 429.502 4.131 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1CCNC(=O)OC(C)(C)C 805299576 XTZQFRHFFIGQOH-OALUTQOASA-N 433.549 4.459 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)NCc1cccc2c1CCCN2C(=O)OC(C)(C)C 805308020 XECLIVHBAXNRTF-UHFFFAOYSA-N 441.484 4.221 5 20 IIBD O=C(Nc1ccc(C2(O)COC2)cc1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 807874718 DXMQGKDXRHQMPE-UHFFFAOYSA-N 428.510 4.347 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1 808797332 NAOMINRZCGNJFV-GOSISDBHSA-N 447.410 4.122 5 20 IIBD C[C@H](Oc1ccccc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(F)(F)F 808869639 MWTCZNCNLRLMRU-AWEZNQCLSA-N 438.406 4.279 5 20 IIBD Cc1cc(Br)ccc1-c1noc(-c2cc([N+](=O)[O-])ccc2N2CCOCC2)n1 809469739 HYIABWVXNBFTNR-UHFFFAOYSA-N 445.273 4.219 5 20 IIBD CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 811216540 NGNVCPRLZLLGSC-GOEBONIOSA-N 431.514 4.046 5 20 IIBD COc1ccc([C@@H](CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])N2CCOCC2)cc1 811471645 HNBILASDKNIDTM-LJQANCHMSA-N 440.327 4.073 5 20 IIBD CC[C@@H](c1ccccc1OC)N(C)C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O 813759568 FQDXLDAYXPCLLR-HNNXBMFYSA-N 444.875 4.371 5 20 IIBD CCOc1ccc(C(=O)O[C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] 816399571 SBHNBOUVFDZQDV-VLIAUNLRSA-N 430.432 4.042 5 20 IIBD CC(C)C(=O)Nc1cccc(NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)c1 821145152 SBUDVNJEFCYBOP-UHFFFAOYSA-N 432.285 4.297 5 20 IIBD Cc1nc(C)c(-c2nnc(S[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)o2)s1 864096449 HGQFMVAQFIDVRU-MRVPVSSYSA-N 439.906 4.491 5 20 IIBD COc1ccc([N+](=O)[O-])cc1OC(=O)c1cc(Cl)ccc1I 915276654 INNGPQWVPOFMEB-UHFFFAOYSA-N 433.585 4.081 5 20 IIBD CCn1c(SCC(=O)c2ccc3c(c2)CCN3C=O)nc2cc3ccccc3cc2c1=O 915994107 CPAUYZGWHMINPX-UHFFFAOYSA-N 443.528 4.064 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1ccc(Cl)cc1Cl 919504791 AADKCGNCQFFBQA-DTWKUNHWSA-N 444.246 4.046 5 20 IIBD CC(C)N(Cc1cccc(Br)c1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 919950711 QEGWMJWCGXJDRD-UHFFFAOYSA-N 431.283 4.096 5 20 IIBD O=C(OCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1cc2c(cc1[N+](=O)[O-])OCO2 920498984 KXRWXCXYSKZPNP-UHFFFAOYSA-N 438.179 4.037 5 20 IIBD O=C(CC1c2ccccc2Oc2ccccc21)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 1318712845 CJFUPTZXZAHUHT-INIZCTEOSA-N 430.464 4.331 5 20 IIBD O=C(COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Br)s1 1318820964 OOVLPLLXDHDDPK-UHFFFAOYSA-N 438.177 4.477 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2ccccc2CN2CCCC2=O)cc1[N+](=O)[O-] 1319459941 SCNRZHHQYWWZPY-UHFFFAOYSA-N 432.274 4.040 5 20 IIBD Cc1cccc(N2N=C(C(=O)O[C@@H](c3cccnc3)c3ccccc3[N+](=O)[O-])CCC2=O)c1 1320649645 QOEOPLZVJPLAFZ-QHCPKHFHSA-N 444.447 4.114 5 20 IIBD CS[C@H]1CC[C@H](N(C)C(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)C1 1322113969 VRUSREDQDNKRPX-IRXDYDNUSA-N 441.553 4.248 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@H]3CCCCC3(F)F)cc2)CCC1)c1ccc([N+](=O)[O-])[nH]1 1786465894 NPNSOVUQVKRMAS-MRXNPFEDSA-N 446.454 4.496 5 20 IIBD C[C@@H]1C[C@@]1(C)C(=O)Nc1ccc(C2(NC(=O)Cc3cc([N+](=O)[O-])ccc3F)CCC2)cc1 1790420346 JKGHYYXTOVKEPC-IQMFZBJNSA-N 439.487 4.457 5 20 IIBD O=C(/C=C/C1CCCC1)N1CCC2(CCCN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)C2)CC1 1805686626 SDWYQVPKWGQEMN-KZZDLZNXSA-N 441.528 4.179 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1)c1ccc2occc2c1 1818702925 QIECMJFDKMEIIE-INIZCTEOSA-N 449.423 4.277 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CC2CCC2)[nH]n1 1821285931 MLCPMWRCLBNTHF-SFHVURJKSA-N 443.479 4.262 5 20 IIBD O=C(c1ccsc1)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1824275180 UWHACSAOTFTZLM-FHHGHWCOSA-N 443.525 4.196 5 20 IIBD CCc1ccc(C(=O)N2CC3(CCCN3C(=O)C3(c4cccc([N+](=O)[O-])c4)CCC3)C2)cc1 1845143656 ZXKORUFGDMZCBZ-UHFFFAOYSA-N 447.535 4.096 5 20 IIBD Cc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C2)s1 1845738651 ITNQTPGVQMPJDW-UHFFFAOYSA-N 441.534 4.310 5 20 IIBD CCCCC[C@H](C)C(=O)N1CCCC12CN(C(=O)C1(c3cccc([N+](=O)[O-])c3)CCC1)C2 1846022887 TVTYWZPWXJJHHG-IBGZPJMESA-N 441.572 4.436 5 20 IIBD Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1[N+](=O)[O-] 14207110 AKWCJNBFOCKRAA-UHFFFAOYSA-N 435.402 4.413 5 20 IIBD Cc1cc(C)c(-c2csc(NC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)n2)cc1C 14790664 LMLSEQNCODMQSB-UHFFFAOYSA-N 445.522 4.299 5 20 IIBD O=C(Nc1ccccc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 15373091 MGHFMRHUMPDAKH-UHFFFAOYSA-N 438.871 4.342 5 20 IIBD Cc1cc(C)c(OC(=O)c2nn(-c3cccc(C(F)(F)F)c3)c(C)cc2=O)c([N+](=O)[O-])c1 18081063 PHPSVPUXTCJQRH-UHFFFAOYSA-N 447.369 4.304 5 20 IIBD CCN(Cc1cccc(F)c1)C(=O)CSc1nc2cc3ccccc3cc2c(=O)n1C 19417835 NFKNHSNBQODBBD-UHFFFAOYSA-N 435.524 4.367 5 20 IIBD Cc1nc2cc(C(=O)OCC(=O)N(C)c3ccc([N+](=O)[O-])cc3)ccc2n1-c1ccccc1 29078143 HUEADLOVMVTSFM-UHFFFAOYSA-N 444.447 4.062 5 20 IIBD CCn1c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nc2sc(C)c(C)c2c1=O 29811649 ZEGQSJBZOCTFDV-UHFFFAOYSA-N 443.510 4.345 5 20 IIBD Cc1cccc(-c2nnc(-c3ccc(C(=O)NCCNc4ccccc4[N+](=O)[O-])cc3)o2)c1 30879557 UNFVOYNQJBQQOW-UHFFFAOYSA-N 443.463 4.462 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 31556056 VJGTXGBFKNLCJG-UHFFFAOYSA-N 426.454 4.348 5 20 IIBD COc1ccc(COc2cccc(F)c2)cc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 63634807 PWQDRRICRFEQGF-UHFFFAOYSA-N 432.429 4.122 5 20 IIBD O=C1[C@H](Sc2nc(C(F)(F)F)nc3ccccc23)CCN1c1cccc([N+](=O)[O-])c1 78768279 UIGNMUXJLWVHLS-OAHLLOKOSA-N 434.399 4.454 5 20 IIBD O=C(NC[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1)Nc1cccc(F)c1 97570402 ZROTUYUONYEKMZ-ZDUSSCGKSA-N 434.855 4.061 5 20 IIBD Cc1cccc(Oc2ccc(NC(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)cc2)c1 105041694 QWBJZQVVUYKSIT-UHFFFAOYSA-N 433.420 4.060 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F 105724437 JMDPUFOUQYQXOU-UHFFFAOYSA-N 438.463 4.037 5 20 IIBD CCOc1cc(C(=O)N[C@H](C)Cc2ccc(Br)cc2)c([N+](=O)[O-])cc1OC 107600089 ILVSDXLXPHZOQE-GFCCVEGCSA-N 437.290 4.126 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N(C)C[C@H]2COc3ccccc3O2)cc1[N+](=O)[O-])c1ccccn1 108753533 QPBCLRTZAMVESV-AEFFLSMTSA-N 448.479 4.075 5 20 IIBD O=C(CN1CCN(c2cccc([N+](=O)[O-])c2)CC1)Nc1cc(C(F)(F)F)ccc1Cl 117164895 POOMTDUYGBFCTI-UHFFFAOYSA-N 442.825 4.028 5 20 IIBD O=C(Nc1ccc(CNc2ncc([N+](=O)[O-])cc2Br)cc1)c1cccnc1 301525304 IPZUBMMWNHSGNJ-UHFFFAOYSA-N 428.246 4.012 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC[C@@H](c4ccn[nH]4)C3)cc2[N+](=O)[O-])n1 303115025 HAPSRXNGURQJKT-CQSZACIVSA-N 429.527 4.254 5 20 IIBD O=C(NCc1ccc(OCCOc2ccccc2)nc1)Nc1ccc([N+](=O)[O-])cc1Cl 409756825 ZKBIAZXROSLBBG-UHFFFAOYSA-N 442.859 4.423 5 20 IIBD CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1F 410048070 JOMDUBDIPWMRDM-UHFFFAOYSA-N 443.262 4.211 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ncnc2c1c(C)c(C)n2Cc1ccccc1 427324506 NAAVHHWATKCGCA-UHFFFAOYSA-N 431.452 4.266 5 20 IIBD O=C(O)C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC(F)(F)F)cc1 431427927 AYBOTLLECJECIX-HNNXBMFYSA-N 446.765 4.022 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)Cc1c[nH]c2cccc(Cl)c12)c1ccccc1[N+](=O)[O-] 431665258 DLSJUXSNYILECM-GOSISDBHSA-N 443.887 4.471 5 20 IIBD CCN([C@@H](c1cccnc1)c1ccc(F)cc1F)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] 431912446 NJNBVGSBSXUTGP-FQEVSTJZSA-N 447.463 4.377 5 20 IIBD Cn1cc(-c2ccc(NCc3ccc(Oc4ccccc4Cl)c([N+](=O)[O-])c3)nn2)cn1 432742730 PVLQOKINSXSEPA-UHFFFAOYSA-N 436.859 4.843 5 20 IIBD CN1C(=O)c2cc(Br)ccc2N[C@H]1c1ccc(Br)cc1[N+](=O)[O-] 433374998 OICXYRRHWKIZFM-CQSZACIVSA-N 441.079 4.316 5 20 IIBD Cc1nc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(Br)s1 436865969 VPHQTRFJXKCBQZ-UHFFFAOYSA-N 425.289 4.498 5 20 IIBD COC[C@@H](C)Nc1ccccc1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 437589910 LJKAPUGYRGXRHT-OAHLLOKOSA-N 437.500 4.156 5 20 IIBD CC[C@](C)(O)CN(Cc1ccccc1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 440039176 RLQUHLIZTURIQH-MHZLTWQESA-N 428.532 4.345 5 20 IIBD CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 440530231 JMKVLYNHDMXKDB-NRFANRHFSA-N 436.556 4.179 5 20 IIBD CC(C)n1cnnc1C1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC1 444014916 YUIQKLZMWYVISV-UHFFFAOYSA-N 433.487 4.013 5 20 IIBD CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1 444076667 ROYGLRITKIXFGK-UHFFFAOYSA-N 435.505 4.085 5 20 IIBD CCc1[nH]nc(C(=O)Nc2nc(-c3cc(Br)cs3)cs2)c1[N+](=O)[O-] 444261067 DHGXLCPQVMEVDE-UHFFFAOYSA-N 428.293 4.080 5 20 IIBD O=C(NCc1ccc(OC2CCCC2)nc1)c1sc(Br)cc1[N+](=O)[O-] 445174927 CWCQNQMBWVWKBO-UHFFFAOYSA-N 426.292 4.065 5 20 IIBD O=C(Cc1noc(/C=C\c2ccccc2[N+](=O)[O-])n1)Nc1ccccc1Br 445482011 ODRZTEMVXQRCFZ-KTKRTIGZSA-N 429.230 4.092 5 20 IIBD CCc1noc(CC)c1CC(=O)N(CCOC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 445663520 HOHNDNMZIQJYLB-UHFFFAOYSA-N 444.513 4.053 5 20 IIBD CCOc1ccc([C@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1OC 445844129 YEQPCZQRXFQINQ-LBPRGKRZSA-N 437.290 4.185 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCN([C@H](C)c3ccc(Cl)cc3)CC2)cc1OC 460532562 JTNIPPIHKLSYCG-OAHLLOKOSA-N 447.919 4.175 5 20 IIBD CCc1cnc(NC(=O)c2cc(C(=O)Nc3ncc(CC)s3)cc([N+](=O)[O-])c2)s1 461025940 RYONCFIAHQYQJX-UHFFFAOYSA-N 431.499 4.137 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 462768358 VFQKOEOKAAXMON-DNVFCKCGSA-N 439.556 4.089 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 464034435 WHTFDCXSNUJQCY-UHFFFAOYSA-N 438.459 4.177 5 20 IIBD C[C@@H]1SCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)[C@H]1c1ccccc1 464427197 OYWQNLNXCRWLMH-VBKZILBWSA-N 429.523 4.010 5 20 IIBD CC(C)(CNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1CCOCC1 464569467 JOTURDZAEUHPSL-UHFFFAOYSA-N 449.960 4.240 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2sc(Cl)cc21 464705435 HYRSYDFPCINQOT-CYBMUJFWSA-N 440.930 4.382 5 20 IIBD C[C@@H](O)CCN(C)C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 464744394 JASWPNOYHABHDU-WIZMWCRPSA-N 425.510 4.365 5 20 IIBD O=C(N[C@H]1C[C@@H]1c1c(F)cccc1Cl)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465980297 JUZJIOZPJAZVQD-LPHOPBHVSA-N 433.867 4.496 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1cccc(S(=O)(=O)Cc2ccccc2)c1 466301490 XANUNLURIWFDOL-UHFFFAOYSA-N 444.896 4.152 5 20 IIBD Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 469255836 INJAZKTZSAGGQH-QZTJIDSGSA-N 438.528 4.406 5 20 IIBD C[C@@H](CCNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)N(C)Cc1ccccc1 473027333 ZBZDMXRGFTVTSD-IBGZPJMESA-N 440.544 4.058 5 20 IIBD COc1cc(OC)c(OC)cc1CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)(C)C 474162171 WATXEFMSVOWNBE-UHFFFAOYSA-N 445.516 4.168 5 20 IIBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1cc(Cl)ccc1NCc1ccccc1 474266297 KCAXTQORXHZLJW-UHFFFAOYSA-N 438.871 4.229 5 20 IIBD Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2)n1 475112558 FRMHTTASGOFDRR-UHFFFAOYSA-N 427.892 4.497 5 20 IIBD COc1ccc(CN[C@H](CO)c2ccc(Br)cc2C(F)(F)F)cc1[N+](=O)[O-] 475627278 SSDWCQUPNYXHRX-CQSZACIVSA-N 449.223 4.208 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 475636111 FWYKYMHTSRRWDU-WOJBJXKFSA-N 432.908 4.058 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2-c2nc(C3CC3)no2)c([N+](=O)[O-])c1 476422427 KHGWLUOHNOIPJY-UHFFFAOYSA-N 434.861 4.285 5 20 IIBD CC(C)(C)c1ccc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)cc1[N+](=O)[O-] 477732994 XMHPQSNLVAMSQN-UHFFFAOYSA-N 425.529 4.349 5 20 IIBD Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1cc([N+](=O)[O-])nn1C 478055679 CQQUFCZXXWCCOQ-UHFFFAOYSA-N 447.373 4.160 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 478228594 YEUVRPQVIZJISS-CQSZACIVSA-N 436.555 4.237 5 20 IIBD CC(C)(C)CC[C@H](CO)NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 478595618 PEVNSXXGPITKIJ-MRXNPFEDSA-N 445.482 4.133 5 20 IIBD C[C@@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1cccc(OCc2ccccn2)c1 479859290 DBUUKXPSGDPQSK-QGZVFWFLSA-N 443.463 4.246 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCC2)c2ccccc21 481434904 QARKQDHMFOHJAQ-UHFFFAOYSA-N 426.494 4.332 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCCc1nnc2n1CCCCC2 485871829 QJPBGMVWFIEDJR-UHFFFAOYSA-N 431.562 4.023 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1COC1CCOCC1 486700739 KAWGJORMAIASGZ-UHFFFAOYSA-N 438.402 4.239 5 20 IIBD Cc1ccnc(-n2nc(C)cc2NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1 488203319 VRBABHONDXJPQA-UHFFFAOYSA-N 430.262 4.116 5 20 IIBD C[C@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])C[C@@H](c2cccc(C(F)(F)F)c2)O1 489414196 TVKVFFCNKIJYKD-LIRRHRJNSA-N 437.418 4.328 5 20 IIBD O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1 492889644 KTGCIMGQEVJSMQ-SFHVURJKSA-N 435.267 4.035 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N[C@@H]1CCOC2(CCOCC2)C1 494133636 CKUQDYIOVQEWKJ-QGZVFWFLSA-N 427.457 4.237 5 20 IIBD CC(C)c1nccn1Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)c1 497657302 XXKMODWEQDUVOY-UHFFFAOYSA-N 440.525 4.300 5 20 IIBD O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)Nc1ccc(OC2CCCC2)c(Cl)c1 498412657 YOSSZXJXORYIOM-UHFFFAOYSA-N 446.891 4.008 5 20 IIBD Cc1cccc(C)c1Oc1ccccc1NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 498435276 VGBPOXRIHMDSDC-UHFFFAOYSA-N 448.479 4.442 5 20 IIBD COc1ccc2c(Oc3ccc(I)cc3[N+](=O)[O-])ncnc2c1F 499872282 KUQCIOMKSNHKAR-UHFFFAOYSA-N 441.156 4.083 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2csc(Br)c2)cc1OC 500589206 QQRRWDMKXYYLJE-UHFFFAOYSA-N 429.292 4.098 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CCC[C@H](Oc2ccccc2Cl)C1 504662133 JJNBELVSUVCYEV-AWEZNQCLSA-N 427.844 4.186 5 20 IIBD COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)COc3ccccc3[N+](=O)[O-])s2)cc1 505147028 PVSQZKQLRRGTOV-CYBMUJFWSA-N 427.482 4.292 5 20 IIBD COc1ccc(-c2nc(C)c([C@@H](C)NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C)s2)cc1 506252966 GNNMLMZPIUTZFH-CQSZACIVSA-N 447.538 4.383 5 20 IIBD COc1ccc(Cl)cc1NC(=O)CN(C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 506778736 RNIFCHFTGDXJTE-UHFFFAOYSA-N 446.916 4.451 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(Br)cc1F 507248904 YQBQFOVJGBMXMI-GHMZBOCLSA-N 440.269 4.183 5 20 IIBD CC(=O)N1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(C)(C)C1 508659766 VRDHLKARGGCYNM-UHFFFAOYSA-N 436.306 4.060 5 20 IIBD O=C(Cc1cc2c(ccc3ccccc32)o1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 510216025 WMKDYUNMBPDDFA-UHFFFAOYSA-N 443.459 4.021 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)Cc1ccccc1Br)c1ccccc1[N+](=O)[O-] 512004316 DFVPDSJFKSEECY-QGZVFWFLSA-N 449.301 4.099 5 20 IIBD C[C@@H]1C[C@H](N2CCCC2)CN1[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 512153882 VWPBHGVCIYGXJJ-WVBUVRCRSA-N 442.947 4.487 5 20 IIBD COc1cc(C(=O)N2CCc3c(Br)cccc3[C@H]2C)c([N+](=O)[O-])cc1OC 513262347 RSQMVAMCYZVIAN-LLVKDONJSA-N 435.274 4.134 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)N(Cc2ccco2)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 513452529 UAQUIEVUVQENEP-UHFFFAOYSA-N 434.857 4.092 5 20 IIBD COc1cc(C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)cc(OC)c1OC 514653194 CLMJZYPGRGGKJW-UHFFFAOYSA-N 429.454 4.305 5 20 IIBD CCOc1cc(NC(=O)N2CCN(Cc3ccccc3C)CC2)c([N+](=O)[O-])cc1OCC 515103926 LJLMCMKJMDSZNZ-UHFFFAOYSA-N 442.516 4.050 5 20 IIBD C[C@H](NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 516523609 QYWPUYCTXIZHLI-HNNXBMFYSA-N 437.525 4.082 5 20 IIBD CN1CC[C@@H](CNC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C1 518395239 FQGFVWMXIZHGLX-ZDUSSCGKSA-N 428.539 4.037 5 20 IIBD COc1cc(CNC[C@]2(N(C)C)CCC[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F 518764536 RLHJPFSMUXTGDQ-LIRRHRJNSA-N 433.471 4.145 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1cc(F)ccc1NC(=O)c1ccccn1 521655711 SJGXOMUYSAQTFU-UHFFFAOYSA-N 437.431 4.212 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(CSC3CCOCC3)c2)c(Cl)c1 522515975 UZLAJTHYMKTQCO-UHFFFAOYSA-N 442.946 4.461 5 20 IIBD CCCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ccccc1 522873963 AKTPXMSNQGTTBV-CABCVRRESA-N 433.892 4.281 5 20 IIBD Cc1nc(-c2ccccc2)c(NC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)s1 523349630 XFQFRSQMPRUEKG-UHFFFAOYSA-N 447.476 4.133 5 20 IIBD CCC(CC)NC(=O)[C@@H]1CN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)c2ccccc2O1 523365206 BDRMGLKAXMTXHB-IBGZPJMESA-N 443.525 4.029 5 20 IIBD Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C2)cc1 524069634 JEQYRJOFCPXQNE-HNNXBMFYSA-N 430.892 4.231 5 20 IIBD O=C(NC[C@H]1CCN(CC(F)(F)F)C1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 524223365 PBMOYMQHTHXJNA-CQSZACIVSA-N 438.406 4.393 5 20 IIBD O=C(C[C@@H]1CCCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1cccs1 531491195 ZAKMJJUBFIRQIT-KRWDZBQOSA-N 427.526 4.137 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccccn2)c2ccccc2OC)cc1SC 536349778 RQCSCDNGZMWUQW-OAQYLSRUSA-N 439.493 4.248 5 20 IIBD CCN1CC[C@@H](N(C)Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C[C@H]1C 536660913 HXHWPOKRFUCUNY-XMSQKQJNSA-N 427.545 4.487 5 20 IIBD COc1cc(CN2CCC3(CC2)CCN(Cc2ccccc2)C3)c([N+](=O)[O-])cc1OC 537658940 CTTNKBHEELBWPR-UHFFFAOYSA-N 425.529 4.100 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCNC1(c2ccc3c(c2)OCCO3)CCCC1 538141730 PALXHMBOHUALAT-UHFFFAOYSA-N 425.485 4.062 5 20 IIBD O=[N+]([O-])c1cccc(-c2ccc(CN(CCO)Cc3cnn(Cc4ccccc4)c3)o2)c1 538730613 ZFKNYDVWTUKYPZ-UHFFFAOYSA-N 432.480 4.094 5 20 IIBD COc1cc(CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 539929462 ZSBXKZWEDXJNHC-GCJKJVERSA-N 436.512 4.462 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CCc3c(ncn3CCc3ccccc3)C2)c1Br 541577295 CZOSWFPUFLHPIU-UHFFFAOYSA-N 442.317 4.063 5 20 IIBD COc1cc(Br)ccc1CCCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 542244411 ZWVDHTIBQICHKM-UHFFFAOYSA-N 446.301 4.139 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)c1ccc(OCC(F)(F)F)cc1 543200468 NWOVLPBSHKUGHQ-LBPRGKRZSA-N 427.379 4.105 5 20 IIBD NS(=O)(=O)c1cccc(N[C@@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)c1[N+](=O)[O-] 546055296 WXYNSPMVBMFBSC-OAHLLOKOSA-N 449.838 4.478 5 20 IIBD O=[N+]([O-])c1ccc2nc(O)cc(-c3nc(-c4ccc(Oc5ncccn5)cc4)no3)c2c1 547040742 ABEMPUVOTFLWOY-UHFFFAOYSA-N 428.364 4.148 5 20 IIBD O=C(NCCOc1ccc(Br)cc1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 549804242 VHAASIGNODIUEB-UHFFFAOYSA-N 433.180 4.185 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCC=C(c3cccnc3)C2)cc1[N+](=O)[O-])c1ccccn1 552059425 AHHSQVZQFFYHIM-QGZVFWFLSA-N 429.480 4.487 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC(CO)(Cc2ccccc2)CC1 552551973 IYCDCROQCBYLPR-UHFFFAOYSA-N 447.329 4.123 5 20 IIBD O=C(N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1ccc([N+](=O)[O-])cc1Cl 553691140 ALEUIWNAVHGLJN-SFHVURJKSA-N 428.794 4.399 5 20 IIBD Cc1c(NC(=O)CCN[C@@H](c2cncc(Br)c2)C2CC2)cccc1[N+](=O)[O-] 556521217 ZDIZEEVLFBCUDA-LJQANCHMSA-N 433.306 4.130 5 20 IIBD Cc1cc(C)n(-c2ccc(CCN[C@H](c3ccc([N+](=O)[O-])cc3)c3nccn3C)cc2)n1 560514115 RNRRMEMIMPDYIM-HSZRJFAPSA-N 430.512 4.053 5 20 IIBD COc1cccc(OC)c1Oc1ccc(CNc2ncnc3sc([N+](=O)[O-])cc23)cn1 561130005 MAJCVRBUBDZNCO-UHFFFAOYSA-N 439.453 4.416 5 20 IIBD O=C([C@@H]1CCC[C@@H]2CCCC[C@@H]21)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 566753749 AYHQCDMYSLVHKC-YTQUADARSA-N 425.533 4.116 5 20 IIBD COc1ccc2c(c1)CN(c1nnc(-c3cccc([N+](=O)[O-])c3)n1Cc1ccccc1)CC2 572899366 GLNKPIOYDIFVJQ-UHFFFAOYSA-N 441.491 4.473 5 20 IIBD COc1ccccc1Nc1ncccc1-c1nc(Cc2ccc([N+](=O)[O-])c(OC)c2)no1 576502833 NZHASLKBJUPMTE-UHFFFAOYSA-N 433.424 4.391 5 20 IIBD C/C(=C/c1ccccc1)CN(C)C(=O)c1cc(I)cc([N+](=O)[O-])c1 583417325 VZZNOKVAZISPCW-JYRVWZFOSA-N 436.249 4.375 5 20 IIBD COC(=O)c1cc(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)c[nH]1 583984882 CEGYXPMIKPASAS-UHFFFAOYSA-N 447.806 4.224 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2c2nc(Cc3cc(F)cc(F)c3)no2)ccc1[N+](=O)[O-] 589089626 GCRMWVRXVODPGV-GOSISDBHSA-N 428.395 4.133 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(OC(C)C)c(OC)c1 603632326 YBZHHKLUMDVNHZ-LSDHHAIUSA-N 431.489 4.077 5 20 IIBD O=C(COc1ccc(F)cc1Br)Nc1cc([N+](=O)[O-])ccc1OC(F)F 603639207 YRLKDHAZPLFJLF-UHFFFAOYSA-N 435.152 4.115 5 20 IIBD CCOc1ccc([C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccccc2)cc1 603720924 DWHLUZZXFGXSJN-QFIPXVFZSA-N 433.464 4.146 5 20 IIBD CN(Cc1cc(Br)cs1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 603762531 RBMSJNIYRFVZHJ-UHFFFAOYSA-N 438.347 4.294 5 20 IIBD COc1cc(C(=O)N(C)CCCOc2cccc(Cl)c2)c([N+](=O)[O-])cc1OC(F)F 604008037 GKDZNBVMFYERSR-UHFFFAOYSA-N 444.818 4.399 5 20 IIBD COc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)cc1[N+](=O)[O-] 604042063 KQDZTNZRATXPTE-UHFFFAOYSA-N 431.297 4.264 5 20 IIBD CC(C)Oc1ncccc1CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 604309092 DRYGKIOJGBKTEB-INIZCTEOSA-N 435.484 4.275 5 20 IIBD COc1ccccc1C(C)(C)CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl 608831109 XFTOMBZDPRSUKL-UHFFFAOYSA-N 428.876 4.192 5 20 IIBD COc1cc(Br)c(CNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc1OC 608898590 ODFQFVDPUCFHRZ-UHFFFAOYSA-N 441.303 4.026 5 20 IIBD COc1cccc(CC(=O)N2CCc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C)cc32)c1 608945028 PWDOZDZMDITEBT-UHFFFAOYSA-N 445.475 4.296 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)c1C 609406065 URTPJBIDFIXMQG-UHFFFAOYSA-N 428.514 4.381 5 20 IIBD CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 609447266 HEJSIKOVZDBGLI-HRAATJIYSA-N 433.574 4.105 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCCc2nc(C3CCCCC3)cs2)cc1OC 609493677 RNZLMXXLMPTMNH-UHFFFAOYSA-N 433.530 4.479 5 20 IIBD Cc1cc(Br)ccc1CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] 609512746 HDILVXFOWRWWIQ-UHFFFAOYSA-N 429.274 4.242 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccc(CN2CCCCC2)cc1 609729636 PMCGWWXLHCTXOH-UHFFFAOYSA-N 431.920 4.319 5 20 IIBD COc1ccc(-c2ccc(CNc3ccc(CN4CCC(O)CC4)cc3)o2)c([N+](=O)[O-])c1 609851486 OVXWZGLYCJDTET-UHFFFAOYSA-N 437.496 4.432 5 20 IIBD Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 609997864 XTYMFFOCVADKKS-QVKFZJNVSA-N 429.904 4.286 5 20 IIBD COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])cc1Br 610039971 AZDOTPMFVIBKNK-INIZCTEOSA-N 449.301 4.187 5 20 IIBD C[C@H]1CCCN(Cc2csc(NC(=O)NCCCCc3ccc([N+](=O)[O-])cc3)n2)C1 610089044 CHZYFQQIXGBNSH-INIZCTEOSA-N 431.562 4.428 5 20 IIBD CC[C@@H](c1ccccc1)c1nnc(NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)s1 610179869 OKEGYEKDEFMYKF-AWEZNQCLSA-N 428.470 4.258 5 20 IIBD Cc1ccc(NC(=O)[C@H]2CCc3ccccc3N2C(=O)Cc2cccc([N+](=O)[O-])c2)cc1 610226562 OAWVBYOMXPQFCH-HSZRJFAPSA-N 429.476 4.432 5 20 IIBD COc1ccc(CSCC(=O)N2C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] 610598257 ZLXQRVGQLYRWSL-PHIMTYICSA-N 446.369 4.036 5 20 IIBD COc1ccc(CN[C@@]2(CO)CCc3ccccc32)cc1OCc1ccc([N+](=O)[O-])cc1 610916044 AEWHZEBIIARFCB-RUZDIDTESA-N 434.492 4.106 5 20 IIBD C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 612610781 QLVJYYRBGILGDQ-CYBMUJFWSA-N 429.477 4.254 5 20 IIBD CC(C)=C[C@H]1[C@@H](C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)C1(C)C 613261739 XTZAKSBAFTWSAB-HOCLYGCPSA-N 435.527 4.061 5 20 IIBD COC(=O)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)c1ccc(F)cc1 618029189 BNQMRIBGXBNSSB-IBGZPJMESA-N 446.500 4.455 5 20 IIBD O=[N+]([O-])c1ccc2nc(NS(=O)(=O)Cc3ccc(OC(F)(F)F)cc3)sc2c1 618907901 HFBLANZGWWHUNH-UHFFFAOYSA-N 433.389 4.045 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)c1ccc(OCc2ccccc2)cc1 619468388 YOEVUKCKYZJEFR-UHFFFAOYSA-N 428.466 4.008 5 20 IIBD CC(C)(C)OC(=O)N1CCc2cc(NC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)ccc21 726508758 JTRXMFWNLUUMHT-UHFFFAOYSA-N 449.467 4.330 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 727396341 PAJDGGNOVSVJEY-MRXNPFEDSA-N 426.212 4.024 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)CCc1cccc(OC2CCCC2)c1 727889443 BAERQKSVKXSJPG-UHFFFAOYSA-N 426.469 4.339 5 20 IIBD O=C1C[C@@H](c2cccc(F)c2)CN1CN(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 728196935 YSMUXAPRWVQBRQ-MRXNPFEDSA-N 425.382 4.072 5 20 IIBD O=C(CCc1ccccc1Br)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 729192344 GKOKBBMOOVCIFX-UHFFFAOYSA-N 448.317 4.145 5 20 IIBD Cc1ccsc1C(=O)Nc1ccc(OC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)cc1 731475587 VDLALGKAOSGZNG-UHFFFAOYSA-N 449.448 4.017 5 20 IIBD CC(C)[C@@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 731918389 KLHJTZSTIWJUTJ-GOSISDBHSA-N 442.440 4.172 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCc2ccc([C@H](C)O)cc2)c([N+](=O)[O-])c1 732567657 PUEKRIPYZWIRKN-HNNXBMFYSA-N 434.448 4.278 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1OC(=O)CCC[S@@](=O)c1ccc(Br)cc1 735207902 SQEBTNWFQUUJDO-RUZDIDTESA-N 426.288 4.159 5 20 IIBD COc1ccc(C2(C(=O)OCc3cnc(-c4ccc([N+](=O)[O-])cc4)o3)CCOCC2)cc1 735445644 PJCAPHWRBYZQLR-UHFFFAOYSA-N 438.436 4.050 5 20 IIBD Cc1c(CN2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)cccc1[N+](=O)[O-] 738326852 PSIZCZRDOBTXRF-UHFFFAOYSA-N 426.517 4.484 5 20 IIBD COc1cc(N2CCC(OC(=O)CCCOc3ccccc3C)CC2)ccc1[N+](=O)[O-] 739369237 GTJPAQLITFJPCU-UHFFFAOYSA-N 428.485 4.283 5 20 IIBD COc1ccc(-n2c(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nc3ccccc32)cc1 741988636 HNJJNKWYJDMADU-UHFFFAOYSA-N 433.380 4.103 5 20 IIBD CCOc1cc(C(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)c([N+](=O)[O-])cc1OC 742944928 QTQCXXLNVDSMGV-NSHDSACASA-N 446.847 4.197 5 20 IIBD O=C(OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 745351450 QVKFGVYVTSPTRS-IRXDYDNUSA-N 435.263 4.138 5 20 IIBD O=[N+]([O-])c1ccc(NCCO)c(NCc2ncc(-c3ccc(Br)cc3)o2)c1 745992340 IZVLGSSHHUTJLD-UHFFFAOYSA-N 433.262 4.029 5 20 IIBD C[C@H](OC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 747519933 HYLGVLXTAWUAGW-NILFDRSVSA-N 433.258 4.031 5 20 IIBD COc1cccc(Cc2cnc(NC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)s2)c1 748617515 KWRZXACAXAYBNH-UHFFFAOYSA-N 442.453 4.428 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 750218040 OPNNPZVTLVLKCJ-CQSZACIVSA-N 425.285 4.355 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)OC(=O)c1cccc(Cl)c1[N+](=O)[O-] 750535784 RXZSYDQXJOUPPH-AWEZNQCLSA-N 442.859 4.235 5 20 IIBD O=C(Nc1cnn(CC(F)(F)F)c1)c1cc(Br)cc([N+](=O)[O-])c1Cl 750879990 NRYNJXLZALVPFQ-UHFFFAOYSA-N 427.564 4.022 5 20 IIBD Cc1c(C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)no2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 751244261 UESLMGNPFLOJRI-UHFFFAOYSA-N 442.403 4.310 5 20 IIBD CN(C)C(=O)Sc1cccc(COC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 752553763 LEUCFXLZJXTQMZ-UHFFFAOYSA-N 439.287 4.488 5 20 IIBD NC(=O)c1ccc(COC(=O)CCCC(=O)c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 754309886 JLJYPEKSBUJRDN-UHFFFAOYSA-N 439.251 4.097 5 20 IIBD COCCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@@H](C)c1ccccc1 754995307 YNIWXFJHSBTIDL-LBPRGKRZSA-N 425.254 4.346 5 20 IIBD C[C@H](OC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)N[C@H](C)c1cc2ccccc2o1 755068297 UPABNDYSJICSBI-MCIONIFRSA-N 428.416 4.393 5 20 IIBD COC(=O)CCCc1csc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)n1 755650423 GDONVSYRHOXVNB-UHFFFAOYSA-N 446.529 4.036 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)COc3ccc([N+](=O)[O-])c4ccccc34)cc2)C[C@@H](C)O1 756880940 GLYNLUHLGCJRQJ-CALCHBBNSA-N 435.480 4.379 5 20 IIBD Cc1cc(N2CCSCC2)ccc1NC(=O)c1cccc([N+](=O)[O-])c1Br 758172166 KIFHYBIEWIIMDB-UHFFFAOYSA-N 436.331 4.471 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 758862111 LINXXDDISWBJBJ-QGZVFWFLSA-N 441.818 4.133 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N[C@H](CO)c1ccc(C(F)(F)F)cc1 759980138 IXYHJRWSPPSLLY-CYBMUJFWSA-N 448.195 4.231 5 20 IIBD CCC[C@@H](NC(=O)c1ccccc1)c1noc(-c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)n1 762308581 OOAQFXHCCHOKAH-QGZVFWFLSA-N 432.440 4.102 5 20 IIBD CN(Cc1ncc(-c2ccccc2)[nH]1)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br 763959178 BVVGCMUPQPOGRX-UHFFFAOYSA-N 433.237 4.159 5 20 IIBD O=C(OCC(=O)N(Cc1ccco1)c1ccccc1)c1ccc([N+](=O)[O-])c2cccnc12 766230221 FWJIHDYPJCBSQW-UHFFFAOYSA-N 431.404 4.126 5 20 IIBD O=C(Oc1ccc(Cc2ccccc2)cc1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 766547290 IXOXIVLQQCZFST-UHFFFAOYSA-N 430.416 4.058 5 20 IIBD Cc1cn(-c2ccccc2Cl)nc1C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 767066545 RNSCTAZXWKQABD-UHFFFAOYSA-N 439.815 4.149 5 20 IIBD CCOc1ccc(-c2nc(COC(=O)c3cccc(OC)c3[N+](=O)[O-])cs2)cc1OC 769575121 FZKVUXVWJZZQFG-UHFFFAOYSA-N 444.465 4.491 5 20 IIBD C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 772328862 UUFRDQNPCZMJTQ-IAGOWNOFSA-N 446.548 4.103 5 20 IIBD O=C(NCc1cnc(Br)s1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 773531120 ZPTGWEWWEKOZBC-UHFFFAOYSA-N 433.287 4.487 5 20 IIBD CC(C)(C)OC(=O)N1CCC(C(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])CC1 776135931 SYDCGKJEIJTECM-HXUWFJFHSA-N 441.484 4.270 5 20 IIBD O=C(O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)C1(c2cccc(Cl)c2)CCOCC1 778804273 VQJOWLPIWSSCCD-SFHVURJKSA-N 448.878 4.258 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(Cc3cccc(Br)n3)CC2)c(C(F)(F)F)c1 779433865 JIORPPLWHNJHBI-UHFFFAOYSA-N 445.239 4.093 5 20 IIBD CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781623424 RDHVUOXXRQWKPU-AVRDEDQJSA-N 427.457 4.062 5 20 IIBD C[C@@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccc(F)c(Br)c1 782530346 YCGVFSNYUGKKHF-SNVBAGLBSA-N 428.233 4.315 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 783304596 PEQKJZNGQHHDAT-LJQANCHMSA-N 427.819 4.232 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC(CCCn2ccnc2)CC1 783644167 DDRIRDWHIALMSC-UHFFFAOYSA-N 439.285 4.026 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 784449290 ZIKWKLYHBIDBFR-LBPRGKRZSA-N 434.823 4.445 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)c1ccc(Br)nc1 786247025 YLEGFTLQPSTZLC-UHFFFAOYSA-N 429.068 4.100 5 20 IIBD Cc1cc(C(=O)COC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c(Cl)cc1F 786784191 BBVBNHXFTVGBGL-UHFFFAOYSA-N 432.791 4.049 5 20 IIBD Cc1cc(C)n(-c2ccc(COC(=O)COc3ccc([N+](=O)[O-])c4cccnc34)cc2)n1 786784735 JRPSXINVNBCWRV-UHFFFAOYSA-N 432.436 4.068 5 20 IIBD O=C(Nc1cc(Cl)nc(Cl)c1)c1cc([N+](=O)[O-])ccc1I 787936506 XOFBSVQEQYAFEW-UHFFFAOYSA-N 438.008 4.154 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC(c2nc(-c3ccccc3)no2)CC1 790649375 FIXFFAPYHNPQEF-UHFFFAOYSA-N 444.850 4.386 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)c1ccc(NC(=O)Nc2ccccc2)cc1 791326115 DMBNZJYXOAEXJZ-CYBMUJFWSA-N 437.431 4.451 5 20 IIBD Cn1ncnc1-c1ccc(OC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 792667825 AHPJZONEZUUZJS-UHFFFAOYSA-N 438.387 4.107 5 20 IIBD Cc1nc(SC(F)F)sc1CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 793580966 JDMDFCAFKYRZOW-UHFFFAOYSA-N 443.497 4.287 5 20 IIBD C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 796648177 HHDMTXLBBRNPKP-SPYBWZPUSA-N 430.505 4.373 5 20 IIBD COc1ccc(C2=N/C(=C/c3ccc(N(C)c4ccccc4)nc3)C(=O)O2)cc1[N+](=O)[O-] 797783978 JQYXSIPKCTXOCP-LDADJPATSA-N 430.420 4.111 5 20 IIBD CCN(CC1CCN(C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])CC1)C(=O)OC(C)(C)C 798329455 HFPLCRYTCRUBFJ-UHFFFAOYSA-N 449.548 4.168 5 20 IIBD CCOc1cccc(S(=O)(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 800001765 MQBIUUAQKHGWLC-UHFFFAOYSA-N 442.449 4.014 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(F)c(C(F)(F)F)cc2F)c([N+](=O)[O-])c1 805594990 VFLTZZLALRSKKZ-QMMMGPOBSA-N 448.300 4.084 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 807792814 YMMYYXXOJLLCCC-OAHLLOKOSA-N 447.207 4.148 5 20 IIBD CCc1c(C(=O)COC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])[nH]c(C)c1C(C)=O 811372996 NDJZWINLNIIZHW-UHFFFAOYSA-N 427.240 4.343 5 20 IIBD CC(C)(CCc1noc([C@@H]2CC(=O)N(c3ccc4c(c3)Cc3ccccc3-4)C2)n1)[N+](=O)[O-] 812813679 PXNGYJFEZYYUNZ-QGZVFWFLSA-N 432.480 4.149 5 20 IIBD Cc1cnc(Br)c(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 812998925 DWFCHOOCBBXEJF-UHFFFAOYSA-N 433.184 4.401 5 20 IIBD Cc1cccc(C(=O)N2CCC[C@@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)c1[N+](=O)[O-] 814426921 BIYBAHPKJAWTMC-MSOLQXFVSA-N 431.533 4.403 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)c1nc(Cc2ccc(Cl)cc2)no1 814484935 QAYFQPCYCXDNQX-LLVKDONJSA-N 448.838 4.345 5 20 IIBD CCOc1ccc(-c2nnc(S)n2CCC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc1 843033001 MXBLMCGZMIUFAG-UHFFFAOYSA-N 441.513 4.186 5 20 IIBD CC(C)(C)c1ccc(C(=O)OCC(=O)Nc2ccc(N3CCCCC3)nc2)cc1[N+](=O)[O-] 857127462 RXTJREQWHJPJKF-UHFFFAOYSA-N 440.500 4.073 5 20 IIBD Cc1c(CNc2ccc(OCCN3C(=O)c4ccccc4C3=O)cc2)cccc1[N+](=O)[O-] 864025537 XTZDYIMJYJSBLT-UHFFFAOYSA-N 431.448 4.190 5 20 IIBD Cc1ccc(C(=O)OCC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1NC(=O)c1ccccc1 915020600 MHHKPAQSGWNTSS-UHFFFAOYSA-N 447.447 4.259 5 20 IIBD CCCc1nc(C)c(C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)s1 915276045 ASVJGRBOUXRFQG-UHFFFAOYSA-N 429.502 4.413 5 20 IIBD O=Cc1c(OS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])ccc2ccccc12 917840447 GGZKOBUQZUZHLD-UHFFFAOYSA-N 436.239 4.091 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(Cl)cc2Cl)cc1Br 917843247 XBHVCLCPNGRPGL-UHFFFAOYSA-N 427.059 4.432 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@@H](C)c1ccc(F)c(F)c1 918764512 HXBQLXBTHOTSLB-SGTLLEGYSA-N 438.452 4.029 5 20 IIBD CCOc1ccc([C@@H]2CCCN2C(=O)COC(=O)c2cc(SC)ccc2[N+](=O)[O-])cc1 918921132 LIQSRXNEVMNODS-IBGZPJMESA-N 444.509 4.236 5 20 IIBD CC(=O)c1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cc1 919192543 LOLNHKZBVISOLT-UHFFFAOYSA-N 434.404 4.385 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 919926109 QGANDOAGNKPOFR-UHFFFAOYSA-N 441.362 4.495 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(N(C)C2CCN(C)CC2)cc1 920765682 DVVKOYJKLROKNF-OAHLLOKOSA-N 446.935 4.185 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccc(N2CCOC2=O)cc1 920952365 LZUXWHUNHNKWAR-MRXNPFEDSA-N 438.484 4.033 5 20 IIBD Nc1c(C(=O)NCc2ccc(Oc3ccccc3)nc2)cc(Br)cc1[N+](=O)[O-] 1321251693 PXKJJZZFTVLEET-UHFFFAOYSA-N 443.257 4.057 5 20 IIBD C[C@@H](Oc1cccc(Br)c1)c1nnc(-c2cc3c(cc2[N+](=O)[O-])OCCO3)o1 1328241118 GVJQLMOBUYLUGZ-SNVBAGLBSA-N 448.229 4.319 5 20 IIBD O=C([C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1338432283 ZJUQJWFGFKANJM-QZTJIDSGSA-N 434.323 4.350 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)NC[C@@H](CO)CC3CCOCC3)cc2[N+](=O)[O-])cc1 1339159657 OPSKTHUUMODABS-SFHVURJKSA-N 444.553 4.209 5 20 IIBD COc1cc(COC(=O)[C@H](C)c2ccc(F)c(F)c2)c([N+](=O)[O-])cc1OCC(F)F 1342007609 GBORIJOPUDOMBP-SNVBAGLBSA-N 431.338 4.372 5 20 IIBD CC(C)(C)OCC(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])o3)cc2)CCC1 1786205768 PYUMHOGRDCMDSA-PKNBQFBNSA-N 441.484 4.150 5 20 IIBD Cc1cc[nH]c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 1801207459 NHMZEXGZXZWDFR-MUJYYYPQSA-N 438.509 4.012 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCC2(CCCN(C(=O)c3ccsc3)C2)CC1 1808108828 ZECBWMUBGCVVMG-UHFFFAOYSA-N 445.516 4.262 5 20 IIBD CCOC(=O)c1c(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)sc(C)c1C 16006789 TZKMCEGBFZJGBH-UHFFFAOYSA-N 427.276 4.465 5 20 IIBD O=C(NCc1ccc(CN2CCCCC2)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 16507850 ZXMDJLGXGRERQM-UHFFFAOYSA-N 436.556 4.114 5 20 IIBD CCOc1cc(C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])cc1OC 19472765 DPACOSLFGFOBPH-UHFFFAOYSA-N 443.239 4.104 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(-c2ccc(Br)cc2)n[nH]1 21157854 HIOBBZXNURUHNK-UHFFFAOYSA-N 448.302 4.182 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3csc(C)n3)cc2)cc1OC 24757273 MSRYWLKTXVDRHO-UHFFFAOYSA-N 443.481 4.313 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(Cc2cccnc2)Cc2ccccc2C)cc1C 60510735 ONIMTXSOSMFECB-UHFFFAOYSA-N 425.510 4.306 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CNc1ccc(Br)cc1[N+](=O)[O-] 69447652 FAOCKOMQBQDOMP-UHFFFAOYSA-N 443.095 4.479 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1C(F)(F)F 107885859 BVLLDFMQJKFDSW-YPHWWSSASA-N 449.385 4.383 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CC[C@@H](Nc3ccccc3)C2)cc1[N+](=O)[O-])c1ccccn1 110885471 XTKXBAYCZUEKKH-FXAWDEMLSA-N 431.496 4.490 5 20 IIBD COc1cc(CN[C@H](C)C(=O)N2CCCC[C@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 237204245 ZVDWZEKRNUAWKG-QZTJIDSGSA-N 441.528 4.062 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(C)s1 301087457 JLWADDBTCHADSS-UHFFFAOYSA-N 433.511 4.386 5 20 IIBD Cc1cc(C)c2nc(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)sc2c1 303175132 RUDGIUWQTQQKDE-QGZVFWFLSA-N 438.509 4.373 5 20 IIBD C[C@@H]1C[C@H](N(C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCN1Cc1ccccc1 303752515 MDTMSYLKSOCRNG-VQIMIIECSA-N 430.936 4.172 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc2c(s1)C[C@H](c1ccccc1)CC2 409579014 ZSNLAMBNHLEJIA-CQSZACIVSA-N 445.522 4.133 5 20 IIBD C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1nc(-c2ccncc2)cs1 409657618 PGRZHPWDFNNQOL-OAHLLOKOSA-N 437.525 4.207 5 20 IIBD Cc1nn(Cc2ccccc2Cl)c(C)c1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 425994936 JGSMWGSNIITVCD-UHFFFAOYSA-N 428.924 4.143 5 20 IIBD CN(Cc1nc(C(F)(F)F)cs1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 426275969 FQKIUZQIAGDODB-UHFFFAOYSA-N 442.341 4.431 5 20 IIBD COc1cc(CNCc2nc3cc(Cl)ccc3n2C)c([N+](=O)[O-])cc1OCC(F)F 428482693 QHKIGHUKDGQOQR-UHFFFAOYSA-N 440.834 4.077 5 20 IIBD COC(=O)c1nc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])sc1C1CC1 429484756 BAZXJFPUNIBKCF-UHFFFAOYSA-N 427.891 4.100 5 20 IIBD CC(C)c1[nH]nc(C(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1[N+](=O)[O-] 434187880 ULHXJADYZJVROO-ZDUSSCGKSA-N 444.879 4.165 5 20 IIBD COc1ccc([C@H](CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)N2CCCC2)cc1 435817370 ILHFVFAOTIAMHR-VWLOTQADSA-N 441.531 4.257 5 20 IIBD O=C(NCCCOCCc1ccccc1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436056283 CMTWHYZTJCUPJK-UHFFFAOYSA-N 436.458 4.339 5 20 IIBD O=C(Nc1ccc(OCC(F)(F)F)nc1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 436101408 JDILTRXMVXIVRR-UHFFFAOYSA-N 431.345 4.409 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc([C@@H](C)Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])cc1 436261489 OVHFCBMYBOWECN-GFCCVEGCSA-N 446.451 4.212 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1O)N(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 436861936 GENWDJPKWSRBOW-JOCHJYFZSA-N 446.507 4.002 5 20 IIBD CN1C(=O)COc2ccc(NC(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc21 438500024 YMIXOXPDQOIYPI-UHFFFAOYSA-N 434.408 4.386 5 20 IIBD O=C(NCC(=O)N1CCCCC[C@H]1/C=C/c1ccccc1)c1c(Cl)cccc1[N+](=O)[O-] 440863576 CFQJHIYVMYARIM-JKGDOXCYSA-N 441.915 4.463 5 20 IIBD O=C(CN(Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1cc(C2CC2)nn1-c1ccccc1 441250457 FEAKUBPFANROTC-UHFFFAOYSA-N 431.496 4.261 5 20 IIBD O=C(NC[C@H]1CCCCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccccc1 444112862 QGEKACZGBKYAEX-HXUWFJFHSA-N 439.515 4.106 5 20 IIBD O=C(CN[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)N1CCc2cc([N+](=O)[O-])ccc21 444798893 GXVQGRPYMZNHTL-KRWDZBQOSA-N 431.773 4.170 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1cccc(Oc2cccnn2)c1 446030906 IHRJELIVGAHJJC-UHFFFAOYSA-N 429.230 4.121 5 20 IIBD Cc1ccc(C)c([C@@H](C)N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c1 447023730 PPPNEJVEAWBCOY-CYBMUJFWSA-N 427.320 4.356 5 20 IIBD O=C(Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 448321974 PDBOHNIYICNQKO-UHFFFAOYSA-N 442.357 4.237 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@@H]3C3CCCCC3)n2C[C@H]2CCOC2)c1 461583317 FMPILEKQBSMZLY-DYESRHJHSA-N 425.533 4.439 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@H]3c3ccsc3)n2C[C@H]2CCOC2)c1 461590378 REXDUZJUAFVTHU-BEFAXECRSA-N 425.514 4.293 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CSC[C@@H]1C(=O)Nc1cccc(C)c1C 462491792 PHIJYEVDTXOWNO-GHTZIAJQSA-N 441.553 4.321 5 20 IIBD COc1ccc(-c2nc(C)c([C@H](C)NC(=O)CN(C)c3ccccc3[N+](=O)[O-])s2)cc1 463815690 HBGSHMBZNCZMFP-AWEZNQCLSA-N 440.525 4.349 5 20 IIBD CC(C)c1nn(C)c2sc(C(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)cc12 464664537 QTDPXWDSXUNGCT-UHFFFAOYSA-N 428.514 4.350 5 20 IIBD CC[C@@H]1Oc2cc([C@@H](C)NC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])ccc2NC1=O 465373575 KSMYCRPKNWEXKX-PEBVRCNWSA-N 447.875 4.002 5 20 IIBD Nc1c(Br)cc(Br)cc1CNCCc1ccccc1[N+](=O)[O-] 468006064 SHCVVRKSIWKXOA-UHFFFAOYSA-N 429.112 4.034 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(OCc2cccc(F)c2)cc1 468697448 RVDZHOWELLDSDW-UHFFFAOYSA-N 430.457 4.329 5 20 IIBD CC[C@@H](NC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21)c1cccc([N+](=O)[O-])c1 469529459 QACNQLNTIFYSGW-JKSUJKDBSA-N 432.274 4.051 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 470198324 QNFIBQICDYLOFE-MRXNPFEDSA-N 449.385 4.275 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N(CC(=O)OC(C)(C)C)c2ccc3c(c2)OCO3)c1 475061126 FWEHQKCRQLAOGD-UHFFFAOYSA-N 446.481 4.034 5 20 IIBD CCOc1cc(NC(=O)c2ccc(OC)cc2OC(F)F)c([N+](=O)[O-])cc1OCC 475470721 RHCCUSNYJGOTCF-UHFFFAOYSA-N 426.372 4.255 5 20 IIBD COc1c(C(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)cccc1[N+](=O)[O-] 475666836 LUPJTHWIZXDLNT-UHFFFAOYSA-N 442.475 4.445 5 20 IIBD CN(CCN(C)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)CC(F)F 476732754 WLFCLRZAWUOCJA-UHFFFAOYSA-N 440.878 4.129 5 20 IIBD CO[C@]1(C)CCCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1 477868717 VVWRATFWASPDRR-HXUWFJFHSA-N 443.466 4.248 5 20 IIBD O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)c1cc2cc([N+](=O)[O-])ccc2o1 479076582 FHJYNWDPNUSWNF-UHFFFAOYSA-N 437.433 4.394 5 20 IIBD CCC(=O)c1ccc(Sc2nnc(-c3cnccn3)n2Cc2ccco2)c([N+](=O)[O-])c1 480089311 GYXRIEXYISCEKX-UHFFFAOYSA-N 436.453 4.029 5 20 IIBD CN(Cc1ccc(Br)cc1Cl)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 480768339 NTCHQMRRGAEQSY-UHFFFAOYSA-N 447.738 4.015 5 20 IIBD CCc1c(NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)cnn1-c1ccccc1Cl 482727276 HFGIXTFMDUJHPR-UHFFFAOYSA-N 430.848 4.266 5 20 IIBD CCOc1cc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c([N+](=O)[O-])cc1OC 484772632 WLYGLVSHKNIHQW-UHFFFAOYSA-N 434.861 4.426 5 20 IIBD C[C@@H]1C[C@H](CCNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CN1Cc1ccccc1 485512837 AQADSAWYUWJJSJ-WBVHZDCISA-N 433.455 4.227 5 20 IIBD CCOC(=O)[C@H](NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccccc1 485907534 RECBCMMBFZFGTP-OPAMFIHVSA-N 448.479 4.197 5 20 IIBD COC(=O)c1cc(NC(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)c(C)c([N+](=O)[O-])c1 486900436 ZWBIGLSHCRUQFY-HNNXBMFYSA-N 446.435 4.064 5 20 IIBD COc1cc(CCNC(=O)N2CCC(c3c(F)cccc3F)CC2)c([N+](=O)[O-])cc1OC 487139819 WHJFEFMHPVSKMT-UHFFFAOYSA-N 449.454 4.022 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(OC(F)F)c3ncccc23)cc([N+](=O)[O-])c1 489959573 SRINAYVIBXOWCI-UHFFFAOYSA-N 431.351 4.173 5 20 IIBD COc1cc(OC)c(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1Br 490920185 RDSFSLJJCDHYSE-UHFFFAOYSA-N 436.262 4.201 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC[C@H](c1ccccc1)N1CCCC1 491580724 FBSFKEPNVMXREZ-LJQANCHMSA-N 436.434 4.250 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)N[C@H]2CCCc3occc32)cc1[N+](=O)[O-] 493325755 ZDODMMJWFMPJFS-IBGZPJMESA-N 433.464 4.292 5 20 IIBD CCN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@H](c1ccc(C)cc1)c1cccnc1 496566964 CTJSPJIIBLBBGQ-HSZRJFAPSA-N 442.479 4.131 5 20 IIBD COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 498466420 BVORCYXHHLHDPU-IBGZPJMESA-N 447.919 4.190 5 20 IIBD Cc1ccc(NCCCNC(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)c([N+](=O)[O-])c1 499011621 FDCJZRJWHKSZQS-QFIPXVFZSA-N 437.475 4.328 5 20 IIBD CCc1ccc(C(=O)N2CCOC[C@H]2c2c(C)nn(Cc3ccccc3)c2C)cc1[N+](=O)[O-] 501198770 UKLJLRCNJWVDET-QHCPKHFHSA-N 448.523 4.233 5 20 IIBD COc1cc(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)c([N+](=O)[O-])cc1OC(F)F 502066622 LTDQVRHVPFHKJK-AWEZNQCLSA-N 438.383 4.015 5 20 IIBD CCCN(CCC)C(=O)c1ccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1 502502906 RWSLWUBDZOLHRR-UHFFFAOYSA-N 435.484 4.295 5 20 IIBD CC(C)CCSc1ccc(C(=O)NCCN2C(=O)Cc3ccccc32)cc1[N+](=O)[O-] 506345588 GZWIOGKJNFXJPH-UHFFFAOYSA-N 427.526 4.052 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NC[C@H]2CCN(c3ccccc3)C2)cc1[N+](=O)[O-])c1ccccn1 506927074 GZKTWGOSCBAGEX-RTBURBONSA-N 445.523 4.419 5 20 IIBD O=C(CCS(=O)(=O)[C@H]1CCc2c(Cl)cc(Cl)cc21)Nc1ccccc1[N+](=O)[O-] 507709382 LSTBZAJKUWJRNY-KRWDZBQOSA-N 443.308 4.333 5 20 IIBD O=[N+]([O-])c1ccc2nc(N3CCCN(c4ncc(C(F)(F)F)cc4Cl)CC3)[nH]c2c1 509821125 NOANRCTVVVSZLU-UHFFFAOYSA-N 440.813 4.255 5 20 IIBD CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc(OC)c(OC)c1 510422683 XVEZHMUYVQQTKX-CQSZACIVSA-N 448.419 4.060 5 20 IIBD CO[C@@H](C)c1nc(=NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)s[nH]1 511103937 DQCNDOHSAJJWRI-NSHDSACASA-N 447.904 4.093 5 20 IIBD COc1cc(C(=O)Nc2ccccc2C(C)=O)c([N+](=O)[O-])cc1OCc1cscn1 512370120 LGSQPFBTRGYRPE-UHFFFAOYSA-N 427.438 4.094 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(Cn2cnc3cc(F)c(F)cc3c2=O)cc1OC 513592215 NHITWZANVWSPBW-GFCCVEGCSA-N 433.411 4.065 5 20 IIBD CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCc1ccccc1[N+](=O)[O-] 515569609 VQEZJPCIMDWPCH-KRWDZBQOSA-N 438.311 4.363 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccccc1OCCc1ccccc1)c1cccc([N+](=O)[O-])c1 516443225 RRIAMDYONUIIKI-KRWDZBQOSA-N 433.464 4.032 5 20 IIBD Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 518940650 CSJCWMOGKNLRSP-UHFFFAOYSA-N 430.424 4.138 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)Cc1ccc(Br)s1 520386877 DHQASEVNKVILGL-VIFPVBQESA-N 433.711 4.498 5 20 IIBD O=C(Nc1cc(Cl)cc2cccnc12)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 521951576 JJGXZMFPTAWWKZ-CQSZACIVSA-N 430.873 4.101 5 20 IIBD Cc1cc(C)nc(Sc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)n1 523730205 HDYRBMJUKHIYSL-UHFFFAOYSA-N 430.511 4.262 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)[C@H]1CCSc2ccccc21)c1ccccc1[N+](=O)[O-] 525651719 UOISXCWGCAEKLB-FUHWJXTLSA-N 428.510 4.373 5 20 IIBD Cc1c(NC(=O)[C@H](C)N2CCO[C@H](c3ccc(Br)cc3)C2)cccc1[N+](=O)[O-] 533247548 XWHQPQILKGEHSS-LIRRHRJNSA-N 448.317 4.066 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(C[S@](=O)Cc3noc(-c4ccc(Cl)cc4)n3)co2)cc1 534061012 ZCEBJJNNOJCLEX-PMERELPUSA-N 444.856 4.402 5 20 IIBD C[C@@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1nc(-c2ccccc2)no1 534831813 OPUAMPYIZOCOST-ZDUSSCGKSA-N 435.465 4.302 5 20 IIBD CC(=O)N(CCc1ccccc1)CC(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 534876085 ZZZFOBYPONAAJB-UHFFFAOYSA-N 438.509 4.056 5 20 IIBD COc1ccc(C[C@@H](C)CN(C)C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 534896067 MKOMPBFGVFEUPO-CQSZACIVSA-N 440.418 4.495 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 535381254 BTUMXHYORLWDNN-FZKQIMNGSA-N 446.410 4.381 5 20 IIBD O=C(Nc1cnc(-c2ccccc2)s1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 535794346 KMROANPRWHYCSA-ZDUSSCGKSA-N 428.495 4.023 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1cccc2c1CN(c1nccs1)C2 536197779 OCINOPZJEMVSGW-CYBMUJFWSA-N 439.497 4.019 5 20 IIBD CN(CCC1CCN(c2ccncc2)CC1)C(=O)c1ccc([N+](=O)[O-])cc1Br 536408285 HXMLIZDFVKDDLN-UHFFFAOYSA-N 447.333 4.131 5 20 IIBD Cc1c(C(=O)NCCCNc2ncnc3ccc([N+](=O)[O-])cc23)cccc1-c1ccccn1 537730616 KUUFCEHMOUFQER-UHFFFAOYSA-N 442.479 4.140 5 20 IIBD CCc1cnccc1[C@H](C)NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] 537996721 VMGGVGTYEXJSKB-ZDUSSCGKSA-N 442.497 4.087 5 20 IIBD CN(C)C(=O)Cn1ccc2ccc(NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])cc21 541265266 JURQZCYWRGLARX-UHFFFAOYSA-N 446.916 4.022 5 20 IIBD CCc1ccc([C@H](NC[C@H](c2ccc(C)o2)N2CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 543406593 JUJLBDBXYJDPSJ-ZJSXRUAMSA-N 439.512 4.404 5 20 IIBD COc1cc(OCc2nc(-c3ccc(OCc4ccccc4)nc3)no2)ccc1[N+](=O)[O-] 544526245 HJJSVCNLSUYMBZ-UHFFFAOYSA-N 434.408 4.206 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3ccc4ncccc4c3)no2)c(I)c1 545637840 JZKGJXIBBFOADO-UHFFFAOYSA-N 444.188 4.465 5 20 IIBD Cc1ccc(NC(=O)CSCc2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)cc1 547200236 LPGODQZZZXPPMB-UHFFFAOYSA-N 437.481 4.230 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 557610546 DFFVLRXXTZRHHG-OAQYLSRUSA-N 444.329 4.096 5 20 IIBD CCOc1cc(C(=O)N2CCC[C@H](Cc3ccc(OC)cc3)C2)c([N+](=O)[O-])cc1OC 558594870 FDHIRYCRONQBET-QGZVFWFLSA-N 428.485 4.106 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)c1 558828186 HYXYBLCSLDENJX-SFHVURJKSA-N 425.407 4.045 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 559143017 RXCPJZZSVSTHMT-HNNXBMFYSA-N 434.823 4.227 5 20 IIBD CC(=O)NCC[C@@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 561652815 IJJQYNKPQSYEMK-KRWDZBQOSA-N 427.526 4.124 5 20 IIBD O=C(Cc1noc(Cn2c3ccccc3c(=O)c3ccccc32)n1)Nc1ccccc1Cl 570234603 XWIGDNGSQKYRDR-UHFFFAOYSA-N 444.878 4.421 5 20 IIBD O=C(c1ccccc1C(F)(F)F)N1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 574687058 KECWLADXJSWFIF-UHFFFAOYSA-N 445.344 4.177 5 20 IIBD COc1cc(-c2noc([C@@H](C)c3cccc([N+](=O)[O-])c3)n2)ccc1OC[C@@H]1CCCO1 575364613 ZEKYQVTYZXWUKL-KSSFIOAISA-N 425.441 4.363 5 20 IIBD Cc1cc(C)c(Cn2cc([N+](=O)[O-])cc(Br)c2=O)c(OCc2ccccc2)n1 577972730 HKBYWRIIJZBOEN-UHFFFAOYSA-N 444.285 4.158 5 20 IIBD C[C@H]1CN(C(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)CCC1(F)F 582273563 XDCOZEVJECMMOH-AWEZNQCLSA-N 431.439 4.009 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Oc2ccnc(C(=O)NC)c2)c1 584830767 OGHRXLSQSLGGOF-QGZVFWFLSA-N 448.479 4.349 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1[C@H]1CCCO1 586833847 BTARLTFIUFMQQN-DHIUTWEWSA-N 446.507 4.160 5 20 IIBD COc1cc(C(=O)NCc2ccnc(Oc3ccccc3)c2)c([N+](=O)[O-])cc1OC(F)F 603666158 STFXMMYYEOUBOB-UHFFFAOYSA-N 445.378 4.322 5 20 IIBD C[C@H](NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1)c1cccc([N+](=O)[O-])c1 603967049 WIDYJSXELDYNNB-BZSNNMDCSA-N 439.512 4.254 5 20 IIBD O=C(Nc1ccc(F)cc1Cl)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 603982299 DZUSDWDKXMDIBX-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD CSc1ccc(C(=O)NCCCc2nnc(SC)n2C2CCCC2)cc1[N+](=O)[O-] 604518279 NSQTZAVWBBRAJB-UHFFFAOYSA-N 435.575 4.108 5 20 IIBD Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 604958562 JPRXYWXMCAUJPI-HXUWFJFHSA-N 443.522 4.387 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1NC(=O)c1cccs1 608810787 CFRSWICSDWQYCB-UHFFFAOYSA-N 431.495 4.272 5 20 IIBD Cc1ccc(CN(C)C(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 609073227 BUTVXKJWHCHDKX-UHFFFAOYSA-N 445.522 4.038 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC[C@@H](N4CCCC4)C3)cc2[N+](=O)[O-])n1 609345744 BNHUSNFYINEUDE-MRXNPFEDSA-N 432.571 4.211 5 20 IIBD COC1CCN(C(C)(C)CNC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)CC1 609347078 NMKHSIBZMXJZAK-UHFFFAOYSA-N 437.606 4.352 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@H]3C[C@@H]3c3c(F)cccc3F)cc2)c(C)c1[N+](=O)[O-] 609697237 RZMYVOWBDGJUCR-LPHOPBHVSA-N 426.423 4.021 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H](C(C)(C)C)CC1 609702559 FUQNPYHAKYJBQM-PKOBYXMFSA-N 435.590 4.121 5 20 IIBD CCOC(=O)c1cc(S(=O)(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc([N+](=O)[O-])c1C 609706814 FAAORQRBIAWOHU-AWEZNQCLSA-N 446.481 4.208 5 20 IIBD CCN(C(=O)[C@H](C)SCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C1CCCCC1 609770921 UNXGRTFEJXKESJ-HNNXBMFYSA-N 435.546 4.196 5 20 IIBD O=C(c1nn(-c2ccc(F)cc2)cc1Br)N1CCCc2ccc([N+](=O)[O-])cc21 609859429 KVKZTFSFVZHSKF-UHFFFAOYSA-N 445.248 4.275 5 20 IIBD CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)NCc3cccc([N+](=O)[O-])c3)cc2)c1 610019693 LVAOTYXDPMFRIK-UHFFFAOYSA-N 441.465 4.112 5 20 IIBD COc1ccc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(Br)c1 610305508 PCVDTWGNXWGGIJ-UHFFFAOYSA-N 435.274 4.050 5 20 IIBD COc1ccc(-c2nc(NC(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)n[nH]2)cc1OC 611402579 GFXZKPOIWVNGET-UHFFFAOYSA-N 443.485 4.150 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CCCN(Cc2ccccc2)C1 611511341 FRKKGXJDZRSSLJ-GOSISDBHSA-N 430.936 4.002 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CC[C@@]4(C3)C(=O)Nc3ccccc34)c([N+](=O)[O-])c2)cc1 614524497 NCUGHHKHKAEGPX-VWLOTQADSA-N 442.475 4.256 5 20 IIBD Cc1c(C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])cnn1-c1ccccn1 615041379 FVBCFGWNYGRXMP-UHFFFAOYSA-N 429.436 4.315 5 20 IIBD CC(C)(C)OCc1ccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 615379309 NHQRWVFFFVADHH-UHFFFAOYSA-N 437.399 4.089 5 20 IIBD CCOC(=O)c1sc2[nH]c([C@@H](C)Sc3ccc([N+](=O)[O-])cc3F)nc(=O)c2c1C 618965184 SJWFNBJJJXVXIT-SECBINFHSA-N 437.474 4.370 5 20 IIBD Cn1c(SCC(=O)NCC2(c3ccccc3)CC2)nc2cc3ccccc3cc2c1=O 622146163 KFNZFXHFIVFNEE-UHFFFAOYSA-N 429.545 4.027 5 20 IIBD COc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 725834116 HQJDPSZUSAYKPS-UHFFFAOYSA-N 445.293 4.409 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(OC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)cc2)cc1 726958558 AUAPKJOVTRGMRT-UHFFFAOYSA-N 434.404 4.146 5 20 IIBD C[C@H](Oc1ccccc1C(F)(F)F)C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 727202424 JZIYMICWLMPQSY-NSHDSACASA-N 437.330 4.174 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)CCc2ccc(OC(F)(F)F)cc2)cccc1[N+](=O)[O-] 727536049 ZYKNDNYVRFJEDN-ZDUSSCGKSA-N 440.374 4.305 5 20 IIBD Cc1c(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cccc1-c1nnc2n1CCCCC2 727709229 YQCIXRVQTHUENS-UHFFFAOYSA-N 427.411 4.419 5 20 IIBD CC[C@H]1CCc2c(sc(=O)n2CN(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)C1 728046330 WUBDPZJZQHXERO-ZDUSSCGKSA-N 429.464 4.355 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1SC 728466611 XPTVWCNJBJQTNC-UHFFFAOYSA-N 429.357 4.087 5 20 IIBD O=C(NC[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1)Nc1cccc(F)c1 728522126 KSANYNBAYQHAOJ-ZDUSSCGKSA-N 434.855 4.061 5 20 IIBD C[C@@H](OC(=O)Cc1coc(-c2cccs2)n1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 730055972 RECHITATYLNMFU-SNVBAGLBSA-N 435.845 4.078 5 20 IIBD CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COC(=O)c1c(Cl)cccc1[N+](=O)[O-] 730644767 GKDIBOXQQPZIBB-UHFFFAOYSA-N 431.659 4.370 5 20 IIBD O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H]1COC(=O)C1(c2cccc(F)c2)CCCC1 730702771 HXGXFZFQEKDPEX-IBGZPJMESA-N 440.471 4.394 5 20 IIBD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc(C)c1OC(F)F 730855864 PQAAYLMIAIOTOI-LLVKDONJSA-N 426.347 4.136 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc(C)c1OC(F)F 730855865 PQAAYLMIAIOTOI-NSHDSACASA-N 426.347 4.136 5 20 IIBD O=C(CCn1cc([N+](=O)[O-])cn1)O[C@H](CC(F)(F)F)c1ccc(Br)cc1 731993971 LUEBKRNDSVVDNB-CYBMUJFWSA-N 436.184 4.181 5 20 IIBD Cc1ccc(OCc2cccc(C(=O)O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)c2)cn1 734056613 BIXZHEROZSYEQA-KRWDZBQOSA-N 449.463 4.370 5 20 IIBD Cc1cc(C)c(NC(=O)COC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c(Cl)c1 735150174 ZGAWLCMLTCLGCD-UHFFFAOYSA-N 441.267 4.469 5 20 IIBD CCOc1cc(NC(=O)[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1OCC 739500349 VXSLSSLIZXZYMW-KBPBESRZSA-N 437.493 4.024 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1nn(-c2cccc(Cl)c2)c(C)cc1=O 741567020 CMLCQDITFTVGHB-UHFFFAOYSA-N 434.235 4.284 5 20 IIBD O=C(COC(=O)c1cc(F)ccc1[N+](=O)[O-])N[C@@H](c1ccccc1)c1ccc(Cl)cc1 743197832 UECIUBDFUNSQEQ-NRFANRHFSA-N 442.830 4.450 5 20 IIBD Cc1cc(O)nc(-c2cccc(OC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)c2)n1 744218709 DVBDGGNVEDDJRA-UHFFFAOYSA-N 434.433 4.409 5 20 IIBD Cc1ccc(-c2ocnc2C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 745359438 NMXBSDMEFQFPQB-UHFFFAOYSA-N 449.341 4.373 5 20 IIBD C[C@@H](C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(Br)s1 745640135 LFDRCTZUSDOOQE-MRVPVSSYSA-N 447.694 4.358 5 20 IIBD Cc1ccc(-n2cnnc2SCC(=O)OCc2cc(Cl)ccc2[N+](=O)[O-])cc1C 746062045 AKUYZTLWOAUGNK-UHFFFAOYSA-N 432.889 4.281 5 20 IIBD COc1ccc(Br)c(/C=C\c2ccnc(-c3cccc([N+](=O)[O-])c3)[n+]2[O-])c1 747695160 HOCUPFIBPSXTDF-WAYWQWQTSA-N 428.242 4.232 5 20 IIBD Cc1nc(-c2cccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3Cl)c2)n[nH]1 749420590 AVTNANSIYCKSLT-UHFFFAOYSA-N 436.653 4.357 5 20 IIBD O=C(NO[C@H]1CCCCO1)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 749621745 CXBAVNDVTDUBRW-QHCPKHFHSA-N 439.512 4.242 5 20 IIBD CN1C(=O)CCc2cc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3Cl)ccc21 750864091 KWNBWYRHBMUSSL-UHFFFAOYSA-N 438.665 4.172 5 20 IIBD CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1 751624320 URWKHWGVCASIAL-QGZVFWFLSA-N 445.859 4.277 5 20 IIBD O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1csc(COc2ccc(F)cc2)n1 751635528 CDKUCIHVAIQWIR-UHFFFAOYSA-N 429.385 4.268 5 20 IIBD CCc1c(C(=O)COC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[nH]c(C)c1C(C)=O 751644657 QATSYNURTPDSFK-UHFFFAOYSA-N 438.889 4.168 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)cc1[N+](=O)[O-] 752055841 RPFPTDDOUPGUJE-KRWDZBQOSA-N 425.485 4.129 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 753358607 BXHBRUUGRBLBBE-QHCPKHFHSA-N 446.548 4.306 5 20 IIBD C[C@@H](C(=O)Nc1cccc(OCCNC(=O)OC(C)(C)C)c1)c1ccc([N+](=O)[O-])cc1F 754234138 DAKSBSYPKRWDIL-CQSZACIVSA-N 447.463 4.380 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCCc2c1cccc2[N+](=O)[O-] 754402160 DHWIJTRLEVKHRZ-UHFFFAOYSA-N 425.319 4.037 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Oc2cccc(NC(=O)c3cccs3)c2)cc1[N+](=O)[O-] 755107318 NBPDZJITXPMPJH-UHFFFAOYSA-N 432.479 4.293 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N(Cc1ccccc1)C[C@H](O)c1cccs1 755758720 HHRJTFAASUGYMO-NRFANRHFSA-N 448.504 4.218 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccc2c(c1)-c1ccccc1C2 755858139 BOEQVSDVKWEFHF-AWEZNQCLSA-N 432.432 4.359 5 20 IIBD CCCN(C(=O)c1cccc([N+](=O)[O-])c1Br)[C@@H](C)C(=O)Nc1ccccc1 758180034 VJWPWDOUWFQPGT-ZDUSSCGKSA-N 434.290 4.237 5 20 IIBD Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2Br)ccc1N1CCSCC1 758212674 GAZUQHGWPGSSPM-UHFFFAOYSA-N 436.331 4.471 5 20 IIBD O=C(c1cnc2ccc(F)cc2c1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 758980660 AHZNNDSCTZZVAH-UHFFFAOYSA-N 448.376 4.263 5 20 IIBD CC(C)[C@@H]1CCCN1c1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1F 760424604 NPKQOQJGFKHTRV-KRWDZBQOSA-N 429.448 4.382 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCC[C@H](O)c1ccc(Cl)c(Cl)c1 760702504 TYKYTNJMRYGFEI-SFHVURJKSA-N 426.300 4.334 5 20 IIBD O=C(NC[C@H](O)c1cccc(OCc2ccccc2)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 761607928 MNZZWMXBVZTZCZ-QFIPXVFZSA-N 431.448 4.119 5 20 IIBD O=C(NC[C@H](O)c1cccc(OCc2ccccc2)c1)c1c[nH]c2cccc([N+](=O)[O-])c12 763010271 LXFHZZIZSRHDBA-QFIPXVFZSA-N 431.448 4.119 5 20 IIBD COc1ccc(C(=O)COC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cc1Br 763716838 MCJUJTATCSFUAJ-UHFFFAOYSA-N 428.622 4.059 5 20 IIBD Cc1onc(-c2ccncc2)c1C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 764619157 AKVVGTRFLLBFJO-UHFFFAOYSA-N 444.403 4.425 5 20 IIBD CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)Oc3c(F)cccc3[N+](=O)[O-])cc2)cc1 766564656 RABTUQVXBACIAE-UHFFFAOYSA-N 430.413 4.127 5 20 IIBD O=C(Nc1ccc(Cc2nnc3n2CCCCC3)cc1)c1cc(F)c([N+](=O)[O-])cc1F 766758853 RPDQRJQTLQGDPE-UHFFFAOYSA-N 427.411 4.034 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N(Cc1cccc([N+](=O)[O-])c1)C1CC1 769758231 UQHSEJFAOXWJOH-UHFFFAOYSA-N 439.346 4.249 5 20 IIBD Cc1cc2c(cc1C)[C@H](C(=O)N(Cc1nnc(-c3cccc([N+](=O)[O-])c3)o1)C(C)C)CO2 769759843 HDSYFKBDURFGSO-LJQANCHMSA-N 436.468 4.175 5 20 IIBD CC(C)[C@H]1C[C@@H](NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 772905526 OGICDPXEWPPLGH-VBKZILBWSA-N 445.903 4.434 5 20 IIBD C[C@H](N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](O)c1c(Cl)cccc1Cl 773038747 GXNAWXVRPOZDKZ-UFYHVXEKSA-N 426.300 4.330 5 20 IIBD O=C(COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)Nc1ccccc1[N+](=O)[O-] 774112997 VZWVQGNVTQFIEE-UHFFFAOYSA-N 442.431 4.243 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2cnc(Cl)c(N)c2)c2ccccc2)c([N+](=O)[O-])c1 774998574 YDIVLNYSYKCVPP-GOSISDBHSA-N 440.843 4.071 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 775090796 JTJLRWDUCDOQAS-ZDUSSCGKSA-N 446.481 4.051 5 20 IIBD C[C@H]1C[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCN1C(=O)OC(C)(C)C 775230897 JGFIFLREIDDHON-RDJZCZTQSA-N 432.521 4.057 5 20 IIBD C[C@@H](OC(=O)[C@H](F)Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 778202902 QJZFWJKQRQVWQN-IAQYHMDHSA-N 428.338 4.065 5 20 IIBD O=C(Nc1cc(F)c(N2CCCCC2)c(F)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 778732339 RBBITHQAXZXJRB-UHFFFAOYSA-N 427.411 4.301 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)O[C@@H](C)c1cc([N+](=O)[O-])ccc1C 778762209 XHSAVKWFWZHCQV-OXJNMPFZSA-N 430.526 4.368 5 20 IIBD COc1cc(COC(=O)c2ccc([N+](=O)[O-])cc2Cl)c([N+](=O)[O-])cc1OCC(F)F 780061055 ZTGHMTXMUSTHHT-UHFFFAOYSA-N 446.746 4.166 5 20 IIBD O=C(O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1csc(Cc2cccc(F)c2)n1 780435659 DRXIBKDPZINKMJ-IAGOWNOFSA-N 430.461 4.318 5 20 IIBD Cc1ccccc1Cc1noc(COC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)n1 781258732 FDFKCAQRRPDJOB-UHFFFAOYSA-N 425.444 4.321 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N(CCc1ccccc1)Cc1ccncc1 781625549 CRFRSPXNNURNHP-UHFFFAOYSA-N 434.452 4.102 5 20 IIBD Cc1nc(CNC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)oc1-c1ccc(Cl)cc1 782009526 HSPLDXUOUBXNIZ-GOSISDBHSA-N 440.843 4.021 5 20 IIBD Cc1nc(-c2ccccc2F)sc1[C@@H](C)OC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 782599765 GJDSNLYTZRAFHK-CYBMUJFWSA-N 443.456 4.200 5 20 IIBD Cc1cc(F)ccc1-n1ccc(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1 783288299 UPPPXVQJPLLSJG-LBPRGKRZSA-N 446.822 4.065 5 20 IIBD O=C(CCOCC(F)F)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 790232802 LXJFBCVSRBSBLC-UHFFFAOYSA-N 428.775 4.078 5 20 IIBD COc1cc([C@H](NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)C(F)(F)F)cc(OC)c1OC 790926049 JUWPLCOAZCXHIE-KRWDZBQOSA-N 446.353 4.102 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 791289873 FDYYRPXEMAQPQP-TWGQIWQCSA-N 448.401 4.003 5 20 IIBD Cc1[nH]c2ccccc2c(=NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1C(C)C 792550311 HUXUIAFCBCZATC-UHFFFAOYSA-N 434.496 4.086 5 20 IIBD C[C@H](OC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1nc2cc(Br)cnc2[nH]1 796863174 GUANZVCKUABFAS-JTQLQIEISA-N 433.262 4.211 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccccc1[C@H](O)c1ccccn1 798262302 HSCKEOWKZFNXCU-FQEVSTJZSA-N 442.269 4.015 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1c(OC)ccc2nc(Cl)ccc12 799125478 FYIUVGJWRKVWBV-UHFFFAOYSA-N 437.861 4.005 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC(c2ccc(Br)cc2)CC1 800159950 FTFPFOKMPPXKTC-UHFFFAOYSA-N 443.294 4.065 5 20 IIBD CN1CCN(c2ccc(NC(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)cc2)CC1 802229209 HNYUTEUAMNUVLC-UHFFFAOYSA-N 431.496 4.343 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 803650296 CPKJGXQLQLOUFG-SFHVURJKSA-N 441.381 4.233 5 20 IIBD CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 804400857 LKVCXVPVGOMGBI-UHFFFAOYSA-N 446.301 4.415 5 20 IIBD O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CCn2c(CCc3ccccc3)nnc2C1 809963467 OEQAOLXSMBAQLZ-UHFFFAOYSA-N 432.311 4.294 5 20 IIBD O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCN(c2ccccc2Cl)C1 810589407 JYDWNAAUMUDXJM-OAHLLOKOSA-N 427.844 4.473 5 20 IIBD CCOc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 811374773 OYYZZHIZJKIOCH-JTQLQIEISA-N 427.240 4.484 5 20 IIBD O=C(COC(=O)c1ccccc1OCc1cscn1)Nc1ccc(Cl)cc1[N+](=O)[O-] 811855277 OWFVZEWRCCIEFM-UHFFFAOYSA-N 447.856 4.079 5 20 IIBD C[C@H](C(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1cccc(Br)c1 813064222 DJAAVYNXJUKSGG-AWEZNQCLSA-N 448.317 4.316 5 20 IIBD O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CCCc2cccc(OC(F)F)c21 814997747 DBZAVZTVLFHWBR-UHFFFAOYSA-N 436.795 4.130 5 20 IIBD C[C@@H](OC(=O)c1cnc2c(F)ccc(F)c2c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 815357143 PQPNWHRBWLNCFZ-SECBINFHSA-N 435.770 4.259 5 20 IIBD COc1cc(C(=O)n2ccc(C)cc2=NC2CCCCC2)c([N+](=O)[O-])cc1OC(F)F 841920701 HHXWBHMQCDNTTH-UHFFFAOYSA-N 435.427 4.237 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NC[C@H](O)c2ccccc2)cc1[N+](=O)[O-] 849208082 XLTXAZVAYDOQGN-FQEVSTJZSA-N 436.489 4.011 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 856620784 TZQMPYUSPSTESE-CVEARBPZSA-N 443.525 4.246 5 20 IIBD O=C(COC(=O)/C=C\c1ccccc1OC(F)(F)F)Nc1cc([N+](=O)[O-])ccc1Cl 914940193 GSJRNZUNWATIGI-YVMONPNESA-N 444.749 4.342 5 20 IIBD CC(C)OC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 917262787 DHECNGVQTZCNJY-CYBMUJFWSA-N 440.408 4.090 5 20 IIBD COc1cccc(Cc2cnc(NS(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])s2)c1 918743688 MBGZBBSXEJHFQO-UHFFFAOYSA-N 433.511 4.068 5 20 IIBD C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 919407413 RNYOGASUQRCIRS-AWEZNQCLSA-N 425.441 4.453 5 20 IIBD O=C(CSc1ccc2ccccc2c1)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 920147592 GHCWKEHQXMYHOC-UHFFFAOYSA-N 444.896 4.467 5 20 IIBD Cn1ccnc1[C@H](O)C1CCN(Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 1116443856 KUIYOBGOEBVDAS-HXUWFJFHSA-N 430.892 4.187 5 20 IIBD C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 1261222143 XDZLGULJJFEKIA-IGDMTRFASA-N 436.556 4.487 5 20 IIBD Cc1cc(N2CCC([C@H]3C(=O)Nc4ccccc43)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 1318219492 ZMPPCXGGQKEWGD-JOCHJYFZSA-N 429.480 4.313 5 20 IIBD CCn1nc(C(C)C)cc1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1318595564 NEHXBSMDKDLNLF-NSHDSACASA-N 442.394 4.137 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCCOc2ccc3c(c2)CCC3)cc1[N+](=O)[O-])c1ccccn1 1321931718 ICLBZVSGOLHDHW-KRWDZBQOSA-N 446.507 4.460 5 20 IIBD CCOc1ccc(-c2nnc([C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)o2)cc1OC 1322862695 MPPBXGOPKHXPTG-ZDUSSCGKSA-N 444.469 4.091 5 20 IIBD COC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c(F)ccc([N+](=O)[O-])c3C)CCC2)cc1 1786437642 BJLLMXRKLSUFGX-AWEZNQCLSA-N 443.475 4.073 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]3c3ccccc3)CCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 1790187103 ZHXLQAKWBUBBSZ-UXHICEINSA-N 444.491 4.474 5 20 IIBD Cc1cc(CCCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CC2CCC2)C3)c([N+](=O)[O-])cc1F 1793405542 TYKWQFAUCCCSLD-ACDBMABISA-N 445.535 4.193 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2occc2c1)c1cc(F)cc([N+](=O)[O-])c1 1797566627 WEWIBJRPLXYVRO-REPLKXPHSA-N 437.427 4.046 5 20 IIBD CC1=CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])C3)CC1 1797689850 QPZJFRAFUFFPGX-QLIIJSOBSA-N 445.947 4.175 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/C1CCCC1 1800119298 SCRUPQIDHZEVRR-UNGCYLFBSA-N 443.569 4.072 5 20 IIBD CC(C)(C)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2cc([N+](=O)[O-])ccc2F)n[nH]1 1815642315 JCMQRGKTDZVNOP-GOSISDBHSA-N 445.495 4.128 5 20 IIBD Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)c1F 1823608910 QXWGGTSZPCWPTC-SFHVURJKSA-N 443.475 4.182 5 20 IIBD CC(=O)N(c1ccccc1)c1nc(COC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cs1 10016937 XLBITIKGNBQGCV-UHFFFAOYSA-N 440.481 4.159 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)c1 10723295 OFYBMIPKLICTNM-GOSISDBHSA-N 428.488 4.342 5 20 IIBD COc1ccc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cn1 14797393 BGWQRZSCEGIRIN-UHFFFAOYSA-N 429.436 4.032 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN(Cc2ccc(Br)s2)CC1 18826476 WKOJLIDIIWHEDY-UHFFFAOYSA-N 444.738 4.030 5 20 IIBD CC(=O)N1CCc2cc(NC(=O)CSc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc21 22617791 WBORTPIRSWYGPW-UHFFFAOYSA-N 439.415 4.253 5 20 IIBD CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 24520986 QZDSWWWENSGERX-QGZVFWFLSA-N 427.501 4.165 5 20 IIBD C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1cccc([N+](=O)[O-])c1 26588922 CDGZEXUEUQGEFX-INIZCTEOSA-N 432.498 4.078 5 20 IIBD O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 36764979 ZLSDFZVWKFMJJQ-UHFFFAOYSA-N 438.494 4.177 5 20 IIBD Cc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1C 36802388 FSELUTYRAMPOAN-LBPRGKRZSA-N 431.905 4.471 5 20 IIBD CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 59888931 MJQBWJUWAFXMTD-UHFFFAOYSA-N 425.464 4.191 5 20 IIBD O=C(NCc1cc2ccccc2[nH]1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 60584905 RISRHEMRTPGJHI-UHFFFAOYSA-N 447.417 4.127 5 20 IIBD CCCOc1ncccc1CNc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 63859606 OGTVJQGLAPWPMH-UHFFFAOYSA-N 442.497 4.192 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)cc1[N+](=O)[O-])c1ccccn1 65072405 MURVHJCSYVIYIL-LLVKDONJSA-N 447.373 4.122 5 20 IIBD CN(C)c1c(Cl)cccc1NC(=O)c1ccc([N+](=O)[O-])cc1I 72068831 GRNJAYVOVKEJGA-UHFFFAOYSA-N 445.644 4.171 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 111176852 OYAGBYLRHHUWIA-UHFFFAOYSA-N 425.464 4.017 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(CNc3nc4ccc([N+](=O)[O-])cc4s3)cc2)C[C@@H](C)O1 111190627 JBAFRLISECTNBN-OKILXGFUSA-N 426.498 4.066 5 20 IIBD C[C@H](OC(=O)/C=C\c1nc2ccccc2s1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 205660102 CSYPZSPMOWFXJM-IQQGHNRFSA-N 431.857 4.442 5 20 IIBD O=c1c(Cl)c(N[C@@H]2CCN(c3cccc(Cl)c3)C2)cnn1-c1ccc([N+](=O)[O-])cc1 301531521 KCSXOVZRWMMZLJ-CQSZACIVSA-N 446.294 4.138 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCNC1(c2cccc(Br)c2)CCC1 303134530 CPPAHSOZYGKPQS-UHFFFAOYSA-N 448.317 4.364 5 20 IIBD O=C(Nc1ccc2[nH]c(C3CCC3)nc2c1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303579284 ZYCOQOSHCVTDDT-MRXNPFEDSA-N 439.497 4.043 5 20 IIBD C[C@@H](c1ccc(Br)cc1)[S@](=O)Cc1cc([N+](=O)[O-])cc2c1OCOC2 427178761 MZVRYFPDSGYYPH-JPQMIFPKSA-N 426.288 4.234 5 20 IIBD C[C@@H]1CCCN(Cc2ccc(CNC(=O)COc3ccc([N+](=O)[O-])c4cccnc34)cc2)C1 427925395 UBKYIEVYHNCOTL-GOSISDBHSA-N 448.523 4.070 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 428594003 VTPWOXCXLCWENS-OAHLLOKOSA-N 433.892 4.494 5 20 IIBD O=C(Nc1cc2c(cc1Cl)OCCCO2)c1cc(Br)cc([N+](=O)[O-])c1 431655637 ZOFYJAOQWMQGHR-UHFFFAOYSA-N 427.638 4.424 5 20 IIBD CCc1ccccc1N(C(C)=O)c1nc(Cn2cc(Cl)cc([N+](=O)[O-])c2=O)cs1 432232775 QKCZNQJQZUDZJS-UHFFFAOYSA-N 432.889 4.162 5 20 IIBD Cc1cc(C)c(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c(Br)c1 432517485 GEOILBUAPMXELM-UHFFFAOYSA-N 448.273 4.301 5 20 IIBD COc1ccccc1NC(=O)c1ccc(N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 433693439 CTRSOQXWQXNVGY-NRFANRHFSA-N 446.463 4.073 5 20 IIBD CN(C(=O)c1ccccc1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CCCCC1 433710552 SQUVUYIRXUDMGL-QFIPXVFZSA-N 436.512 4.217 5 20 IIBD CN(CCOc1ccccc1C(C)(C)C)C(=O)c1cc([N+](=O)[O-])ccc1SCCO 435932637 CPQBLQLFLWMIBY-UHFFFAOYSA-N 432.542 4.128 5 20 IIBD O=C(Nc1nc(C2CCC2)cs1)c1ccc([N+](=O)[O-])cc1I 436193842 ZACKJKLEXYKWNA-UHFFFAOYSA-N 429.239 4.176 5 20 IIBD Cc1ccc(C)c(NC(=O)Cc2nc(CN3CCc4ccc([N+](=O)[O-])cc4C3)cs2)c1 438525228 UXDVUTBFBHTQMM-UHFFFAOYSA-N 436.537 4.408 5 20 IIBD CO[C@H](C)c1nc(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cs1 438981923 DFQMXDVPKQQGGF-ZIAGYGMSSA-N 441.513 4.257 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 439382327 RBAHVLPRGGUPRS-UZUQRXQVSA-N 448.483 4.242 5 20 IIBD O=C(Nc1ccccc1C(=O)N1CCC2(CCOCC2)C1)c1ccc([N+](=O)[O-])cc1Cl 440607116 ZYDZRULYOAOXQY-UHFFFAOYSA-N 443.887 4.143 5 20 IIBD Cc1ccc(-n2nc(C)c(NC(=O)CN(Cc3ccccc3[N+](=O)[O-])C3CC3)c2C)cc1 441248408 AGHZVBRFEDCOEZ-UHFFFAOYSA-N 433.512 4.309 5 20 IIBD Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)o1 444090704 YXYHXMBZBVJBNO-QHCPKHFHSA-N 436.471 4.313 5 20 IIBD CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2sc(Br)cc2[N+](=O)[O-])c1 444865718 QRLPMNQWNPYAFX-SNVBAGLBSA-N 440.319 4.333 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCn2cccc2[C@@H]1c1ccccc1 446005605 ZHDHWEPEDRPXMJ-NRFANRHFSA-N 440.297 4.333 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1C[C@@H]1c1c(F)cccc1Cl 446039720 QITGLRRTPCGUJS-NHYWBVRUSA-N 427.657 4.365 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N(C[C@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F 446111401 JJRXGSCLXIILFB-FQEVSTJZSA-N 449.473 4.440 5 20 IIBD CCOC(=O)[C@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)c2ccccc21 446247699 KYVDDXDVBLSQAQ-INIZCTEOSA-N 433.258 4.055 5 20 IIBD CC(C)C(=O)Nc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 446991409 PMDQMSZMIXSSNF-UHFFFAOYSA-N 431.392 4.009 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2c2cccc(F)c2)c(Br)c1 447033844 MGHVWBCHMAUHSZ-HNNXBMFYSA-N 429.267 4.022 5 20 IIBD Cc1sc(Br)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 447340116 ITTMVUDTFREZRW-UHFFFAOYSA-N 443.247 4.129 5 20 IIBD COc1cc(C(=O)Nc2ccnc(Oc3ccc(F)cc3F)c2)cc([N+](=O)[O-])c1OC 448445483 HTMRDMWUWAKILR-UHFFFAOYSA-N 431.351 4.330 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C)c1sc(-c2ccccc2)nc1C 461964539 KPUINONKPIXPNB-XJKSGUPXSA-N 442.545 4.137 5 20 IIBD CC(C)(C)CNC(=O)c1ccc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 464629602 KLWSJKLFUPZJHX-UHFFFAOYSA-N 439.512 4.054 5 20 IIBD NC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 466430071 BZTJZDRJLXZNKU-HOCLYGCPSA-N 433.917 4.173 5 20 IIBD NC(=O)c1csc(NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])n1 466439282 QVXVAILMWOXTLH-UHFFFAOYSA-N 434.886 4.207 5 20 IIBD O=C(NCCN1CCc2ccccc2C1=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 468152792 GNTMGLRFJBWACT-UHFFFAOYSA-N 447.516 4.174 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCO[C@H](c2cccc(Cl)c2)C1 469204101 TZWMZNQTEKQREJ-NRFANRHFSA-N 429.904 4.065 5 20 IIBD CC1(C)CCC[C@@H]1N(Cc1ccccc1)C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 469539738 KAICYGQJIPPRCA-NRFANRHFSA-N 449.507 4.469 5 20 IIBD C[C@H]1CN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](C2CC2)O1 470691873 BLVZVRZDDVFQNE-GAJHUEQPSA-N 446.507 4.016 5 20 IIBD O=C(NC[C@H]1CCN(Cc2ccccc2)C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 471273712 QYXQLHQDHXWZHK-JOCHJYFZSA-N 445.519 4.426 5 20 IIBD NC(=O)C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1 472181662 JCCQHPBPBJHEAP-ZDUSSCGKSA-N 433.917 4.127 5 20 IIBD Cc1cc2sc(NC(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)nc2cc1F 478083982 GBZVWUSTDISFQY-UHFFFAOYSA-N 444.473 4.184 5 20 IIBD O=C(Nc1ccccc1)[C@@H]1CCc2ccccc2N1C(=O)Cc1ccc([N+](=O)[O-])cc1F 479103717 KQFJIJIXDODDBO-QFIPXVFZSA-N 433.439 4.263 5 20 IIBD Cc1c(CNC(=O)N2CCO[C@H](c3ccc(Br)cc3)[C@H]2C)cccc1[N+](=O)[O-] 480058101 JSIVUBYYIPDOSH-KUHUBIRLSA-N 448.317 4.337 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 481550399 ABQCWSMSXZEOHN-GOSISDBHSA-N 432.498 4.143 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1 487033461 RZWCJVINMNCSFX-HNNXBMFYSA-N 439.493 4.393 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(n2ccc(C(F)(F)F)n2)CC1 487355823 PIVPEARVTMSZSV-UHFFFAOYSA-N 446.813 4.096 5 20 IIBD CCN(C(=O)c1cc(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)ccc1Cl)C(C)C 487656983 IHVYHJIGQCQAAJ-UHFFFAOYSA-N 447.875 4.158 5 20 IIBD CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 489032689 GXNZIOWDRDTBIA-KRWDZBQOSA-N 449.511 4.277 5 20 IIBD O=C(CN1CCC[C@@H](c2nc3c(s2)CCCC3)C1)Nc1ccc([N+](=O)[O-])cc1Cl 490055944 PLUVSCKCGNXGIW-CYBMUJFWSA-N 434.949 4.402 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc([S@](C)=O)c(F)c3)cc2[N+](=O)[O-])C1 495334267 VKAHBULWYRUWJJ-GKXFIBDASA-N 433.505 4.206 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1COc2cc(F)c(Br)cc21 501296425 SRIOXGHADGHHEB-BJOHPYRUSA-N 441.278 4.227 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2nc(C)cc(C(=O)OC)c2s1 503089469 WIFIEWTUNIPVOQ-UHFFFAOYSA-N 446.510 4.449 5 20 IIBD COc1ccc(-c2n[nH]c(CNc3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])n2)cc1 505591061 QLNBPMWLERYSMK-UHFFFAOYSA-N 429.436 4.232 5 20 IIBD CC1CCC(Oc2cc(CNC(=O)c3cc(O)nc4ccc([N+](=O)[O-])cc34)ccn2)CC1 506002923 QIKUWXPQDSFFHK-UHFFFAOYSA-N 436.468 4.131 5 20 IIBD COc1ccc(N(C(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C(C)C)cc1F 509796842 XXJPQVCSEBAQGP-UHFFFAOYSA-N 428.363 4.408 5 20 IIBD O=C(N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 509845112 VYFYWTVDCIONTC-MJGOQNOKSA-N 434.418 4.001 5 20 IIBD Cc1cccc(C)c1OC[C@H](C)NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 510323873 BTWMPILIXZCZCX-KRWDZBQOSA-N 436.512 4.271 5 20 IIBD Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N(C)C 510534016 BEHOULGDKKKLAC-IFXJQAMLSA-N 439.434 4.266 5 20 IIBD Cc1cc(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c2cnn(Cc3cccs3)c2n1 512938933 GPKHWNKBNDMJCX-UHFFFAOYSA-N 435.509 4.072 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccc[nH]2)cc([N+](=O)[O-])c1 513972114 WTSDLHNTBBXTAG-UHFFFAOYSA-N 441.827 4.236 5 20 IIBD C[C@@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1cc(F)c(Cl)cc1Cl 514833883 QPWWMSNFYKPIHR-SNVBAGLBSA-N 428.247 4.038 5 20 IIBD COC(=O)c1cc(C(=O)Nc2c(C(=O)c3ccco3)oc3ccccc23)cc([N+](=O)[O-])c1 515329673 BNTNHMNNZWISNX-UHFFFAOYSA-N 434.360 4.204 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2nnc([C@H](CC)c3ccccc3)s2)cc([N+](=O)[O-])c1 517360316 GOJOJBFOPRNZMT-QGZVFWFLSA-N 440.481 4.417 5 20 IIBD COc1cccc([C@@H](CNCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)N(C)C)c1 520191882 QCWGPSWVDYFQHA-JOCHJYFZSA-N 425.485 4.265 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)Nc2cccc(COCCOC(C)C)c2)cc1[N+](=O)[O-] 520977091 OQDBKUIDKZESQQ-UHFFFAOYSA-N 442.921 4.299 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 522671125 WSKFJKSSVRGUFL-GOSISDBHSA-N 431.448 4.374 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cnn(CC(F)(F)F)c2)cc1 522823117 MYCOIGWECHDULP-UHFFFAOYSA-N 436.346 4.407 5 20 IIBD O=C(NCc1ccccc1-c1ccc(Cn2cccn2)cc1)c1ccc([N+](=O)[O-])c(O)c1 524047694 RGHDENYUBRGDMN-UHFFFAOYSA-N 428.448 4.142 5 20 IIBD CC1(C)CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c2cccc(Cl)c21 530671857 IMYUSLAFTLPYSX-CQSZACIVSA-N 433.917 4.239 5 20 IIBD CN(C)S(=O)(=O)c1ccc(Oc2ccc(Br)cc2Cl)c([N+](=O)[O-])c1 531655121 XYYORXDWYPHSKY-UHFFFAOYSA-N 435.683 4.053 5 20 IIBD C[C@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(NC(=O)c2ccncc2)cc1 531780045 BEVFCIXXKQBNNP-INIZCTEOSA-N 445.479 4.071 5 20 IIBD O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCn2c(nnc2C2CCCC2)C1 533193863 VAESAUSBOZIKBG-UHFFFAOYSA-N 446.511 4.112 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1c(C)[nH]c2ccccc12 534960770 QSYFOKXFSZTMCY-UHFFFAOYSA-N 441.509 4.012 5 20 IIBD COc1cc([C@H](C)NCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)ccc1OC(C)C 539254340 OWNRWWMQFXCOBP-HNNXBMFYSA-N 429.473 4.039 5 20 IIBD CC(C)CCN1Cc2cccc(NC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)c2C1 539539823 JZGYPQXMXHYEOO-UHFFFAOYSA-N 438.528 4.045 5 20 IIBD CCc1ccc([C@@H](NCc2ccccc2CN2CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 543407119 UVKHQOXOSWMIKD-VWLOTQADSA-N 435.524 4.462 5 20 IIBD CCc1ccc([C@@H](COC)N[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)o1 543484989 IKUWZFLEHVYNCN-CXAGYDPISA-N 444.513 4.178 5 20 IIBD C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 543857113 VMEPAAWNJZUAGP-HNNXBMFYSA-N 427.892 4.177 5 20 IIBD O=C(c1ccccc1)N(Cc1noc(-c2cc(Br)cc([N+](=O)[O-])c2)n1)C1CC1 544996097 ZOUCGXMRDWWHRT-UHFFFAOYSA-N 443.257 4.212 5 20 IIBD CC1CCN(c2ccc(-c3nc(-c4cccnc4-n4cccn4)no3)cc2[N+](=O)[O-])CC1 546339521 QJWPRKCUZDLPQV-UHFFFAOYSA-N 431.456 4.129 5 20 IIBD O=[N+]([O-])c1ccc(-n2cc(-c3nc(CCc4ccc(OC(F)F)cc4)no3)cn2)cc1 546443459 JEWYBSVAJYCXKI-UHFFFAOYSA-N 427.367 4.217 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 549182224 BCJQOWLGOAPJFB-UHFFFAOYSA-N 435.362 4.370 5 20 IIBD CCCOc1c(Cl)cc(CN2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1OC 552413451 DYDJLUNYRHWSNO-UHFFFAOYSA-N 447.919 4.004 5 20 IIBD Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 555000582 BFCQQKVWWZMPFP-UXHICEINSA-N 444.491 4.368 5 20 IIBD O=C(NCC(c1ccccc1)c1ccccc1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 555714286 QFXCHVGXCYKAIH-UHFFFAOYSA-N 443.503 4.034 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ncc(-c3ccccc3)[nH]2)c(F)c1 556394401 ZGGDTZOAUYHINM-GOSISDBHSA-N 430.461 4.040 5 20 IIBD O=[N+]([O-])c1cc2c(Sc3nnc(-c4cccnc4)n3Cc3ccco3)ncnc2s1 561099452 ANRYNAYYWIHTTB-UHFFFAOYSA-N 437.466 4.046 5 20 IIBD CCOC(=O)C(C)(C)c1csc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])n1 571954528 VOFBNYMOSNUHQZ-UHFFFAOYSA-N 443.934 4.276 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC(Oc2cccc(Br)c2)CC1 572081818 LQPLZJZWFMPIRW-UHFFFAOYSA-N 448.317 4.153 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CCC(O[C@@H]2CCOC2)CC1 578002270 NURQYQPFOUVCGY-LJQANCHMSA-N 434.558 4.287 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H]2c2cc3c(cc2OCC)C[C@H](C)O3)c1 579862762 GHVQWHKCYQFUGD-URKNILKWSA-N 426.469 4.002 5 20 IIBD O=[N+]([O-])c1cc2c(N3CCO[C@@H](c4cccc(OC(F)(F)F)c4)C3)ncnc2s1 588857372 ZPGOBCQUBWTGBI-CYBMUJFWSA-N 426.376 4.076 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@@H]3CC[C@@](O)(C(F)(F)F)C3)cc2[N+](=O)[O-])n1 590433879 UGJLZDMQSPBTSE-BZNIZROVSA-N 447.460 4.087 5 20 IIBD CCOc1cc(/C=C2/CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)ccc1OC(F)F 603781340 LFCHQMYENZTYQP-LCYFTJDESA-N 429.379 4.249 5 20 IIBD O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1cc([N+](=O)[O-])cc2c1OCCO2 608934774 CGLCQRVSXSKFIM-UHFFFAOYSA-N 431.857 4.319 5 20 IIBD Cc1cc(C(=O)NC2CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC2)c(C)o1 608949509 UTKVISFYVPVSAR-UHFFFAOYSA-N 427.501 4.137 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@@H]1c1cccc2c1OCCO2 608994158 HRANRYAEVLEMTQ-OAHLLOKOSA-N 435.383 4.336 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)cc1SC 609128887 UVPVDNITPWADPT-ZDUSSCGKSA-N 427.482 4.486 5 20 IIBD CC[C@H](C)[C@H](NC(=O)c1csc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 609174240 JAHHRHPLLYXIMF-LIRRHRJNSA-N 430.530 4.040 5 20 IIBD O=C(Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 609697820 RUFZVZJBFSIEHA-UHFFFAOYSA-N 432.223 4.196 5 20 IIBD O=C(Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)c1ccccc1[N+](=O)[O-] 609755458 KGOLHBCDZOWXPD-UHFFFAOYSA-N 432.404 4.099 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(Oc2ccccc2OC)cc1 609842032 ZBZWMVGJXHBYLT-KRWDZBQOSA-N 439.472 4.267 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Sc2cc(Br)ccc2OC)c([N+](=O)[O-])c1 610167457 BBCPBMZPVHUJSU-JTQLQIEISA-N 441.303 4.494 5 20 IIBD CCOC(=O)C[C@H](c1ccccc1)C1CCN(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 618285862 YNXMUTSQUOROCF-HXUWFJFHSA-N 436.512 4.420 5 20 IIBD COc1cc(C(F)(F)F)ncc1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 618766901 PRVZQTXNCSFTAR-UHFFFAOYSA-N 438.284 4.358 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])OCc1csc(-c2ccc3c(c2)OCO3)n1 726633599 TYPUXQFYZSJYDC-UHFFFAOYSA-N 430.463 4.283 5 20 IIBD Cc1oc(-c2ccsc2)nc1CC(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 727023663 VBMIETTURZTQKD-NSHDSACASA-N 449.872 4.386 5 20 IIBD O=C1CCC(C(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)=NN1Cc1ccccc1 728166034 USSPBMVWSZRRBX-UHFFFAOYSA-N 440.887 4.170 5 20 IIBD O=C(C[C@@H](c1ccccc1)N1CCOC1=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 728232436 UVNNRTNZZQLTND-SFHVURJKSA-N 438.465 4.240 5 20 IIBD CC(C)Oc1ccccc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 730049024 FYIAYBPDWVAWFX-UHFFFAOYSA-N 426.347 4.196 5 20 IIBD C[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)c1ccccc1F 731329296 ZXNRKPURBXRNBA-CYBMUJFWSA-N 425.382 4.205 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@@H](C)c1ccc(SC(C)C)cc1 731631138 PMZPQTWRPVCFTH-AWEZNQCLSA-N 432.498 4.173 5 20 IIBD O=C(OCc1c(F)cccc1[N+](=O)[O-])[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 733532368 VOUYWRNYRMGMIQ-LJQANCHMSA-N 426.366 4.232 5 20 IIBD CC(C)[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1I)c1ccccn1 733687995 JGQVRPMZWYVGHT-OAHLLOKOSA-N 426.210 4.149 5 20 IIBD COc1ccc([N+](=O)[O-])cc1OC(=O)c1cc(Br)sc1Br 734992747 NXKVGEPUHGKDHQ-UHFFFAOYSA-N 437.065 4.409 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CN1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 738326854 PUEMPFGOMCAPJI-UHFFFAOYSA-N 442.516 4.184 5 20 IIBD COc1cc(N2CCC(OC(=O)COc3cccc(C(C)C)c3)CC2)ccc1[N+](=O)[O-] 739380808 NQMFHMKXMVNQTH-UHFFFAOYSA-N 428.485 4.318 5 20 IIBD CC(C)[C@@H](CNC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1 740420751 APGSMTUKEZBZNZ-QGZVFWFLSA-N 449.301 4.070 5 20 IIBD C[C@@H](Oc1ccc(Cl)c(COC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)n1)c1ccccc1 744290672 JOHCHDOUCODURE-CQSZACIVSA-N 444.875 4.458 5 20 IIBD C[C@H](OC(=O)CCOc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1ccc2ccccc2c1 744731556 OXFDXULFZWNSIJ-IRXDYDNUSA-N 436.464 4.326 5 20 IIBD COC(=O)c1cc(C(=O)O[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc([N+](=O)[O-])c1 746058288 NFJPUCNBNHAVSY-JTQLQIEISA-N 431.788 4.003 5 20 IIBD COc1cc(OC)c(OC)cc1COC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 747623259 LFNSCFZXLOMYGG-UHFFFAOYSA-N 430.438 4.101 5 20 IIBD COc1ccc(-n2c(SC[C@H](O)c3cccc([N+](=O)[O-])c3)nnc2-c2ccco2)cc1 749690376 WYIJQOXKBAZEQL-SFHVURJKSA-N 438.465 4.270 5 20 IIBD C[C@H](OC(=O)c1cccc(Cl)c1[N+](=O)[O-])C(=O)Nc1c(F)c(F)c(F)c(F)c1F 750535245 IJHDHMAHSGFMNO-YFKPBYRVSA-N 438.692 4.128 5 20 IIBD CC(C)(C)OC(=O)NCCc1ccc(CNC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1 751029941 IRPJZIBODQVDOT-UHFFFAOYSA-N 430.530 4.149 5 20 IIBD CC(=O)OCCCc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 753720495 JLRGUXKWULUZTG-UHFFFAOYSA-N 425.485 4.333 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(CC(=O)Nc1ccc(NC(=O)c3cccs3)cc1)CC2 754109846 PGUVACUAIIIZQN-UHFFFAOYSA-N 436.493 4.218 5 20 IIBD COC(=O)c1c(Br)ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1C 754631618 LVXWLMFRPRULND-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD C[C@@](O)(CC(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CC1 756320466 MAZZCAWDXLLDFR-PZJWPPBQSA-N 432.860 4.022 5 20 IIBD O=C(C[C@H]1CCCCO1)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 756504229 NQGAFIZJIWVRRT-OXQOHEQNSA-N 432.860 4.430 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1c(-n2cccc2)sc2c1CCC2 758817282 SPPDVRYFNJYXPH-UHFFFAOYSA-N 425.466 4.040 5 20 IIBD O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1cc(F)c(C(F)(F)F)c(F)c1 758838761 SBCPQXQFEMFRAU-UHFFFAOYSA-N 446.284 4.047 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccccc1CCC(F)(F)F 758926284 HSCZPHHFJZKZLU-GFCCVEGCSA-N 440.374 4.282 5 20 IIBD CCc1ccc(-c2noc([C@H](C)NC(=O)c3cc([N+](=O)[O-])ccc3Br)n2)cc1 760829633 OQFBICBCEUORFC-NSHDSACASA-N 445.273 4.461 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)OCc2nc(O)c3ccc(C(F)(F)F)cc3n2)c1 761202137 NIVKEUXKMNAVLA-UHFFFAOYSA-N 439.371 4.341 5 20 IIBD O=[N+]([O-])c1ccc(/C=C\c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)cc1 762259741 CGRAPVSMZBPAET-BAQGIRSFSA-N 431.202 4.410 5 20 IIBD CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CNc2cc([N+](=O)[O-])ccc2NCCO)cc1 762782507 QOSSZELGANVYAF-QFIPXVFZSA-N 440.544 4.072 5 20 IIBD C[C@H](OC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCCCC2)cc1 763403598 NARBQDFYXRXABQ-SJORKVTESA-N 425.485 4.259 5 20 IIBD Cc1c(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC2)sc2ccccc12 764262413 WNBLPNGBQUHFQB-UHFFFAOYSA-N 443.912 4.370 5 20 IIBD CNC(=O)c1cc(Oc2cc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)ccc2C)ccn1 764280863 UYRYTLKTYZFZIL-UHFFFAOYSA-N 440.843 4.356 5 20 IIBD COc1ccc(-c2ncc(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)s2)cc1OC 766820306 OFUNCUXSQIYMOY-UHFFFAOYSA-N 433.873 4.319 5 20 IIBD Cn1cc(CNc2ccc(OCc3noc(C4CC4)n3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 770570717 JMBVELHAMGADPO-UHFFFAOYSA-N 446.467 4.447 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCCO1 777661666 UTEKPQCYMNRDOW-CYBMUJFWSA-N 444.868 4.136 5 20 IIBD COc1cc(CNc2ccc(N3CCO[C@H](C)C3)cc2)c([N+](=O)[O-])cc1OCC(F)F 779046796 MYRIKCASASDQIS-CQSZACIVSA-N 437.443 4.085 5 20 IIBD Cn1cc(C(=O)Oc2ccc(C(=O)Nc3ccccc3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 779326152 WSOOVIGLVJPSJI-UHFFFAOYSA-N 442.431 4.467 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC(OC(=O)Nc2cccc(F)c2)C1 781112613 GMQDHUKMLUUYQE-UHFFFAOYSA-N 433.461 4.308 5 20 IIBD O=C(NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc2[nH]c3ccccc3c(=O)c2c1 781441917 HWMNEZAXWMBCEG-UHFFFAOYSA-N 447.299 4.107 5 20 IIBD Cc1c(C(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 782828914 BPONCRHVPHNVMP-KRWDZBQOSA-N 439.346 4.044 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 782836591 NPUHZQTXKUWYEY-UHFFFAOYSA-N 438.406 4.152 5 20 IIBD Cc1ccc(Nc2nn(CN3CCC(n4ccc([N+](=O)[O-])n4)CC3)c(=S)s2)cc1C 782871381 OFJZUSYXOMVGNL-UHFFFAOYSA-N 445.574 4.434 5 20 IIBD COc1ccc(CC(C)(C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1 783750560 UWRJUUJITJQCAS-UHFFFAOYSA-N 425.254 4.256 5 20 IIBD CS(=O)(=O)c1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)n2)cc1 783821167 LMCXMSNOFPROIL-UHFFFAOYSA-N 437.886 4.028 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N(CCc1cccc(F)c1)C1CCCC1 785226392 GRGFADAMKYLDJA-UHFFFAOYSA-N 433.867 4.340 5 20 IIBD COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C 786724954 NIHSYVGQAGVGRD-NSHDSACASA-N 449.312 4.425 5 20 IIBD CCOC(=O)Nc1ccc(Br)cc1NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 789672893 PGLHXCGLWJJTEL-UHFFFAOYSA-N 439.222 4.446 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc(C)c1F 790915987 YQCAKJQFDLWEBC-PIGZYNQJSA-N 425.254 4.311 5 20 IIBD O=C([C@@H]1C[C@@]12CCc1ccccc12)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791173372 SQSGCOVHGWPJKJ-LAUBAEHRSA-N 427.298 4.146 5 20 IIBD COc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)c(OC)cc1Cl 791433340 UWEJFCKHRKMSER-UHFFFAOYSA-N 441.676 4.373 5 20 IIBD O=C(Nc1cccc(Cl)c1Br)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 792502782 NVWULUGTWVMSGO-UHFFFAOYSA-N 439.697 4.365 5 20 IIBD O=[N+]([O-])c1ccc(CNC2(c3cccc(Br)c3)CCOCC2)c([N+](=O)[O-])c1 792873445 SXCDNHIEKLIWEF-UHFFFAOYSA-N 436.262 4.061 5 20 IIBD O=C(NC[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1)OCc1ccccc1 795243122 LEAFXOGKWZNPOQ-INIZCTEOSA-N 435.427 4.339 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2csc(-c3ccccc3)n2)c(C)c1[N+](=O)[O-] 795385698 CBNPTKBZHOZDCB-UHFFFAOYSA-N 434.455 4.044 5 20 IIBD O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1CN1CCSC[C@H]1c1ccccc1 795429852 VKEZBVMFIQOKKP-SFHVURJKSA-N 448.342 4.061 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NS(=O)(=O)c1cc(Cl)c(Br)cc1F 795588665 YACSTUZABXDRQB-UHFFFAOYSA-N 441.637 4.398 5 20 IIBD CC(C)(C)OC(=O)NCC[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 799786331 PWFJJOPYVKSCDE-CYBMUJFWSA-N 445.438 4.381 5 20 IIBD COc1ccc(CNCc2nc(N(C)C)n(-c3ccc(C)cc3)c2Cl)cc1[N+](=O)[O-] 802644029 BKAXIPGPCPQRRN-UHFFFAOYSA-N 429.908 4.107 5 20 IIBD Cc1cc(NCc2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)c(Cl)cc1[N+](=O)[O-] 804700071 NJCSTRJVMYYQIX-NRFANRHFSA-N 428.876 4.394 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)c1ccc(S[C@H]2CCCCNC2=O)cc1 809049400 WBAFPXZHDOJFMY-XOBRGWDASA-N 444.509 4.282 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3cccc4c3COC4=O)cc2[N+](=O)[O-])n1 809380772 AZSUARKBYRDRRF-UHFFFAOYSA-N 427.463 4.434 5 20 IIBD CC(C)S(=O)(=O)c1ccc(C(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 815193699 WPNCEQSPNYHVQP-UHFFFAOYSA-N 431.388 4.153 5 20 IIBD CC(C)(C(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)c1ccccc1[N+](=O)[O-] 816544670 OYYHVXCKKHCICL-IBGZPJMESA-N 439.512 4.037 5 20 IIBD O=c1c2ccccc2nc(SC[C@H](O)c2ccc(F)cc2)n1-c1ccc([N+](=O)[O-])cc1 819958166 PGPGMNLHTKOXIZ-FQEVSTJZSA-N 437.452 4.259 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)CC1 820537580 ZHNSLGQTCDSPKQ-PMACEKPBSA-N 434.540 4.040 5 20 IIBD CN(C)c1cc(F)c(C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)cc1[N+](=O)[O-] 821670761 QLIZDXMCQWJVAI-CYBMUJFWSA-N 444.488 4.235 5 20 IIBD C[C@@H](OC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1nc2ccccc2n1C(F)F 915139625 OTRBAZAQJVGPHM-GFCCVEGCSA-N 427.367 4.443 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 916055726 MOKPYRVVHNVWFY-SCEWNMGZSA-N 447.413 4.107 5 20 IIBD CNC(=O)c1ccc(Cl)c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c1 916406732 SQWXQOYRVNTYGA-UHFFFAOYSA-N 430.892 4.096 5 20 IIBD CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)[C@H]1c1ccc(OC)cc1 916757855 DPDPQNBGRNUJRO-XMSQKQJNSA-N 443.475 4.461 5 20 IIBD O=C(NC1CC1)c1cccc(OC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 917053997 QJRBTXSJMWHPCS-UHFFFAOYSA-N 431.448 4.318 5 20 IIBD CCCCCNC(=O)C1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 917063607 KRQOTYJXGFKUAH-UHFFFAOYSA-N 432.399 4.045 5 20 IIBD Cc1nc(Oc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)c2cnn(C)c2n1 917385549 UJIPUKGOBWOXDI-UHFFFAOYSA-N 429.392 4.146 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Oc1ccc(Cl)cc1Cl 917843269 YFUOHDLTJYADFE-UHFFFAOYSA-N 427.059 4.432 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)[C@@H]1CCCN(C(=O)Nc2cccc(C)c2)C1 918538198 NDYTUIFVOOQRKJ-QGZVFWFLSA-N 441.484 4.289 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)c1cc(-c2ccccc2)[nH]n1)c1cccc([N+](=O)[O-])c1 918637860 NENJYEULRKJCPA-IBGZPJMESA-N 448.479 4.227 5 20 IIBD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)nn1C(C)(C)C 919350099 GHFBUYZWBOYPLA-LLVKDONJSA-N 442.394 4.058 5 20 IIBD C[C@H](OCC1CC1)C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 920781656 UPMBNRJRJPRXTR-ORAYPTAESA-N 432.860 4.286 5 20 IIBD COc1ccccc1N(C(C)=O)c1nc(COC(=O)c2cc(C)cc([N+](=O)[O-])c2)cs1 920900447 KLRPGNOXVGNJRG-UHFFFAOYSA-N 441.465 4.410 5 20 IIBD COc1ccccc1OCc1nnc(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 1117172327 NRBUUXAIKJIIFU-UHFFFAOYSA-N 438.362 4.239 5 20 IIBD Cc1cc(Oc2ccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3N)cc2)n[nH]1 1256686262 SUHGNNXFWHMTQM-UHFFFAOYSA-N 432.234 4.016 5 20 IIBD O=[N+]([O-])c1ccccc1OCc1nnc(-c2cnc3c(cnn3Cc3ccccc3)c2)o1 1257768434 DKERSHYHDBYHST-UHFFFAOYSA-N 428.408 4.017 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cccc(COc2cccc(C=O)c2)c1 1318313812 NHBGFTYXTCHTMG-UHFFFAOYSA-N 448.431 4.090 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(c1nnc(-c3ccccc3Cl)n1C[C@@H]1CCOC1)CC2 1324676225 DCAUBSNRCWRQEX-HNNXBMFYSA-N 439.903 4.106 5 20 IIBD O=C(N[C@H](c1ccccc1)c1nnc(COc2ccccc2[N+](=O)[O-])o1)c1ccccc1 1328233327 SPNMWLVPTFPCJI-OAQYLSRUSA-N 430.420 4.076 5 20 IIBD CCn1nc(-c2nnc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)o2)c2ccccc2c1=O 1329257225 VLSUYBGSELLOSA-UHFFFAOYSA-N 431.330 4.060 5 20 IIBD COc1cc(-c2nc([C@@H](NC(=O)OC(C)(C)C)c3ccccc3)no2)c([N+](=O)[O-])cc1F 1332044952 NPFWOAWARUYVGT-KRWDZBQOSA-N 444.419 4.407 5 20 IIBD COc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])s2)c2ccc(OC)cc2OC)cc1 1338823237 XFMBZAMKWDMRRA-FQEVSTJZSA-N 428.466 4.202 5 20 IIBD O=C(Cc1cc([N+](=O)[O-])ccc1F)NC1(c2ccc(NC(=O)c3cccnc3)cc2)CCC1 1787301365 VRHYJQSDVSWUKX-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD Cc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccccc2C2CC2)C3)cc1[N+](=O)[O-] 1800140681 FGGXOLIFCJQCEV-WKCHPHFGSA-N 447.535 4.275 5 20 IIBD O=C(Cc1cc(F)ccc1[N+](=O)[O-])N1CCC2(CCCN(C(=O)C3CCCCC3)C2)CC1 1808978221 ZFDHJRCVYFBSHN-UHFFFAOYSA-N 445.535 4.088 5 20 IIBD CC/C=C(\C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2cc(F)ccc2[N+](=O)[O-])n[nH]1 1823487526 FBYDSTXZKSVPNE-HOWNQORCSA-N 443.479 4.048 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2oc3ccccc3c2CSC)c([N+](=O)[O-])c1 9786708 XUEIXIPCAIAUTP-UHFFFAOYSA-N 444.465 4.398 5 20 IIBD C[C@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1Cl 9849087 OFUNYJBITCXWCZ-QMMMGPOBSA-N 445.628 4.334 5 20 IIBD O=C(COC(=O)CSc1cc(Cl)ccc1Cl)Nc1cc([N+](=O)[O-])ccc1F 11465548 ODXAYSSGXDJTEX-UHFFFAOYSA-N 433.244 4.315 5 20 IIBD O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccc(Br)c([N+](=O)[O-])c1 14707892 HVSWWUFHGLUYJR-UHFFFAOYSA-N 440.681 4.100 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NCCc1cccc(F)c1 15183912 RYZSYUHPRMMSMD-UHFFFAOYSA-N 444.466 4.488 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)c1C 15328823 UCOLTCKBKCREEL-UHFFFAOYSA-N 431.539 4.390 5 20 IIBD O=C(CSc1nc2ccccc2c(=O)n1C1CCCC1)Nc1ccc(F)c([N+](=O)[O-])c1 20862210 KKXBISGZLSRNBH-UHFFFAOYSA-N 442.472 4.290 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3ccc4c(c3)NC(=O)CS4)cc2[N+](=O)[O-])CC1 24295284 SEQAPDUXZAXRDD-UHFFFAOYSA-N 426.498 4.128 5 20 IIBD COc1ccc(OC)c(CNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c1 26394165 KCACGMZGKVTAEU-UHFFFAOYSA-N 445.522 4.458 5 20 IIBD C[C@H](OC(=O)c1cc(F)cc(F)c1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 28801681 YXXHIFKNYCJFBC-JTQLQIEISA-N 433.392 4.181 5 20 IIBD COc1ccc([C@H](N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c2ccccc2)cc1 60558154 JVUJHFMTLSAHBJ-WAIKUNEKSA-N 435.480 4.318 5 20 IIBD CCN(CC(=O)Nc1c(Cl)cccc1Cl)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 217103058 ZBSUPJWTGLGGRZ-GFCCVEGCSA-N 439.299 4.189 5 20 IIBD O=C(CCNCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)NCc1cccnc1 237772763 HWPMXGPTYSGCMR-UHFFFAOYSA-N 440.887 4.232 5 20 IIBD O=[N+]([O-])c1cc(CNC2CCN(C[C@H]3CCOC3)CC2)ccc1Oc1ccc(F)cc1 237880172 SXDZVJSRQWZJGG-GOSISDBHSA-N 429.492 4.117 5 20 IIBD O=C(c1cc(N2CCN(Cc3cccc4ccccc34)CC2)ccc1[N+](=O)[O-])N1CCCC1 301117636 QBNJLMGFEGBOFF-UHFFFAOYSA-N 444.535 4.306 5 20 IIBD CS(=O)(=O)c1ccc(Oc2ccc(Nc3nc4sccn4c3[N+](=O)[O-])cc2)cc1 301149327 CIOPQWAXBOMZKB-UHFFFAOYSA-N 430.467 4.243 5 20 IIBD O=C(Nc1cccc(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1)c1cccc(F)c1 409905357 GSSJUAQORQEUQB-UHFFFAOYSA-N 432.411 4.398 5 20 IIBD C[C@H](O)C[C@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccccc1 427159800 JSFTUPHBSANFMP-GHTZIAJQSA-N 434.492 4.458 5 20 IIBD Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 431444212 IDHXXLSPGDABKV-UHFFFAOYSA-N 434.290 4.304 5 20 IIBD CNC(=O)c1ccc(N2C[C@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)c([N+](=O)[O-])c1 432140297 VIULAAOSIDYGFV-GOSISDBHSA-N 437.418 4.330 5 20 IIBD CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@@H](c1cccnc1)c1ccc(F)c(F)c1 433757318 GOMQCYDSYKHNCP-LJQANCHMSA-N 429.427 4.366 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2nc3c(s2)C[C@H](C(C)(C)C)CC3)cc1[N+](=O)[O-] 434809072 MXBIHVXMSGFBIL-DZGCQCFKSA-N 444.557 4.327 5 20 IIBD O=C(C1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1)N(Cc1ccccc1)C1CC1 435032952 HMSMQVYGAHYPCK-UHFFFAOYSA-N 434.496 4.139 5 20 IIBD COc1cccc(C(=O)Nc2cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)ccc2C)c1[N+](=O)[O-] 435560078 LJTPAFHHOCRAPH-HUUCEWRRSA-N 425.485 4.282 5 20 IIBD O=C(NCC(F)(F)F)c1ccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 436106231 DRECKHIQKMGJJW-UHFFFAOYSA-N 439.393 4.226 5 20 IIBD COc1ccc(COCc2cccc(NC(=O)C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c2)cc1 438763256 ZFYCDGMEXZSKCH-UHFFFAOYSA-N 449.463 4.206 5 20 IIBD Cc1c(CC(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cccc1[N+](=O)[O-] 438895344 MYAAWEHXXICLNV-UHFFFAOYSA-N 443.809 4.215 5 20 IIBD CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 439142996 XURKQBOBHBAWGP-KXBFYZLASA-N 441.513 4.236 5 20 IIBD COc1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc(NC(C)=O)c1OC 440602401 YGPTYXKWUKPQST-UHFFFAOYSA-N 449.463 4.417 5 20 IIBD O=C(Nc1c(F)cc(Br)cc1F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 443892562 XJLHLOADMSFWRO-UHFFFAOYSA-N 426.217 4.488 5 20 IIBD COCCc1nc2cc(NC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)ccc2o1 444225563 LTRHYBGFPMZTQQ-UHFFFAOYSA-N 431.423 4.403 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(CCc3ncc(-c4ccc(Cl)cc4Cl)o3)n2)n1C 445603866 HSHAMPQISNDMEV-UHFFFAOYSA-N 449.254 4.434 5 20 IIBD COC(=O)c1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)sc(C)c1C 445662556 BKHZHJQKXFOPGS-UHFFFAOYSA-N 427.276 4.003 5 20 IIBD Cn1ccc([C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2)n1 460211037 DDHHQHXQKZBVSE-LJQANCHMSA-N 427.892 4.306 5 20 IIBD Cc1c(CSC(C)C)cccc1NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 460247912 WATKXJSTBRZOGC-UHFFFAOYSA-N 433.555 4.375 5 20 IIBD Cc1ccsc1CNC(=O)c1cc(C(=O)NCc2sccc2C)cc([N+](=O)[O-])c1 460681012 OERFGRATGRXCAS-UHFFFAOYSA-N 429.523 4.195 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(NCCOc3ccccc3)CC2)nc1OCc1ccccc1 462503197 QXWQOLDTWFEHGQ-UHFFFAOYSA-N 448.523 4.206 5 20 IIBD COc1cc(C(=O)N2CCc3c(Br)ccc(Cl)c3C2)ccc1[N+](=O)[O-] 464180694 CFJXHERVEWTXPQ-UHFFFAOYSA-N 425.666 4.218 5 20 IIBD COc1cc(C(=O)N[C@@H](C)c2nc(C3CCCCC3)no2)c([N+](=O)[O-])cc1OC(F)F 464705632 OVSUUEOCNYFNAW-JTQLQIEISA-N 440.403 4.127 5 20 IIBD O=C(NCc1ccc(F)cc1)c1nnc(COc2ccc([N+](=O)[O-])c3ccccc23)s1 464800669 BAQUXCXTUOKDDJ-UHFFFAOYSA-N 438.440 4.248 5 20 IIBD Cc1nc(CN(c2ccc(F)cc2)S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cs1 467403739 LJESFWVRCMNRCE-UHFFFAOYSA-N 427.504 4.264 5 20 IIBD CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)[C@H]1c1ccc(OC)cc1 475292091 DBNYPXGMUIBQTD-PGRDOPGGSA-N 440.500 4.025 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@@H](c2cccc(F)c2)C1 478221685 CPCXPYBBYHOXQP-WBVHZDCISA-N 446.500 4.455 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(c3cccc(Cl)c3)CC2)cc1OC 478267151 LSFBKOWMMJRPMH-UHFFFAOYSA-N 448.903 4.302 5 20 IIBD COC(=O)c1csc(-c2cccc(CNC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c2)n1 480109300 MUTQGKHJZLQDOY-UHFFFAOYSA-N 426.454 4.135 5 20 IIBD COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)ccc1NC(C)=O 480533271 VYDMWKRJFCVCAJ-UHFFFAOYSA-N 434.452 4.426 5 20 IIBD Cn1ncc2c1CCC[C@H]2NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 481770486 NXVMMTWASCHMJK-HXUWFJFHSA-N 439.903 4.401 5 20 IIBD COC(=O)c1ccc(OC(C)C)c(NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])c1 483521770 DXTODVIWUREJKO-UHFFFAOYSA-N 434.470 4.151 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)NCc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)n2)cc1F 483660054 VFCPZVZJDASCMO-CQSZACIVSA-N 436.447 4.344 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1 484416183 OSDLGXWYCQLLKS-CALCHBBNSA-N 443.569 4.246 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1nc2ccccc2n1C(F)F 484811906 OWGSQARQCVXSPA-VIFPVBQESA-N 426.326 4.432 5 20 IIBD Cc1ccnc(-n2nccc2NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1 484923414 DIXOYIPPNYSHPJ-IAGOWNOFSA-N 434.500 4.219 5 20 IIBD COc1cccc(N2CC[C@H](NC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])C2)c1 486532195 RIACDALUOAEZPJ-IBGZPJMESA-N 447.491 4.191 5 20 IIBD C[C@@H](Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(NC(=O)c2ccncc2)cc1 486971954 RGJVEUMYESDBDD-CQSZACIVSA-N 430.424 4.465 5 20 IIBD C[C@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 488011953 FRJCTMNAWJMEJW-ZDUSSCGKSA-N 430.892 4.200 5 20 IIBD O=C(N[C@H]1CCCOc2c(F)cccc21)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 488554375 ZUNGWICONSZOGS-FQEVSTJZSA-N 429.448 4.201 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCSc1nnc(-c2cccc(Cl)c2)n1C 488924843 HCYCQRRYUGYMEH-UHFFFAOYSA-N 447.904 4.173 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H](C(C)(C)C)C[C@@H]1C 491596891 OXQSKEWDTBHLOD-IEZWGBDMSA-N 435.590 4.120 5 20 IIBD O=C(NCc1cccc(Br)c1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 495135213 FXFRNIXQBAFZMF-UHFFFAOYSA-N 432.196 4.376 5 20 IIBD CCOC(=O)C(C)(C)c1csc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 497639874 RYRQPKLKHKVBBO-UHFFFAOYSA-N 432.502 4.089 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1[N+](=O)[O-] 498278770 KNASWUOXVXMDNR-KRWDZBQOSA-N 425.533 4.230 5 20 IIBD O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 501474153 QHXINANXZOMGOG-UHFFFAOYSA-N 438.871 4.285 5 20 IIBD COc1ccc(F)cc1[C@@H](C)NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 501696104 SIGVUSKXQHTLTJ-CYBMUJFWSA-N 426.448 4.095 5 20 IIBD COCCN(C)CC[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccccc1 505092443 IWVUVVIEEMLHES-LJQANCHMSA-N 427.526 4.249 5 20 IIBD CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1OC 506652611 GYWTXXRKPGXHEV-DENIHFKCSA-N 425.485 4.322 5 20 IIBD Cc1cc(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)cc([N+](=O)[O-])c1 506988028 HQSXLZDRMUCRCK-UHFFFAOYSA-N 433.302 4.144 5 20 IIBD CCOCCCNC(=O)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 507130908 AJFGSUZEVGPYKZ-UHFFFAOYSA-N 431.558 4.078 5 20 IIBD CCN(C[C@H](C)O)[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 510123238 HZJIBIGSTWOQRJ-YWZLYKJASA-N 440.525 4.101 5 20 IIBD CCOc1cc(CN2CCC[C@@H]2C2CCC2)ccc1OCCn1c([N+](=O)[O-])cnc1C 512609241 HDKXFRBSLMPLBE-HXUWFJFHSA-N 428.533 4.342 5 20 IIBD COc1ccc(C(=O)NCC(=O)N[C@@H](C)c2ccccc2Oc2ccccc2)cc1[N+](=O)[O-] 512820482 JAODKUWSQSNONT-INIZCTEOSA-N 449.463 4.003 5 20 IIBD COCCOc1cccc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1 515634922 VKWSKRJROYWJEV-IAGOWNOFSA-N 427.501 4.355 5 20 IIBD COc1cc(CNCCN2c3ccccc3C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F 518785206 RNLHTPWXFZICET-CQSZACIVSA-N 439.434 4.085 5 20 IIBD O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 520714867 QYGMVKPKLDNXOM-UHFFFAOYSA-N 433.449 4.091 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N[C@@H]2C[C@H]2c2cccc(Br)c2)c([N+](=O)[O-])c1 520755390 MYXULXNJJIYJAQ-DOTOQJQBSA-N 441.285 4.290 5 20 IIBD O=[N+]([O-])c1ccc(OC(F)F)c(CNCc2cc(Br)c3c(c2)OCCO3)c1 521848494 GMVDSTDDGKPFSU-UHFFFAOYSA-N 445.216 4.020 5 20 IIBD C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2I)[C@@H]2CCCC[C@H]12 522242527 XTVGWDQNWKXUBN-AXAPSJFSSA-N 428.270 4.240 5 20 IIBD COc1cc(CCNC(=O)C[C@H](C)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC 523128364 RRFPXHHDCDYVNH-ZDUSSCGKSA-N 440.418 4.483 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCC[C@@H]2CN2CCCCC2)cc1[N+](=O)[O-])c1ccccn1 524338754 KQMYFYDZPKYOSB-UYAOXDASSA-N 437.544 4.253 5 20 IIBD CS(=O)(=O)c1cc(SCc2cc(Cl)c3c(c2)OCCCO3)ccc1[N+](=O)[O-] 533573444 IGTDDLWVSDYRKN-UHFFFAOYSA-N 429.903 4.105 5 20 IIBD COc1cc(CNc2cncc(Br)c2)c([N+](=O)[O-])cc1OCC(F)(F)F 533804042 YSDBVEBUBUSKPP-UHFFFAOYSA-N 436.184 4.314 5 20 IIBD Cn1c(SCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)nc2sc3c(c2c1=O)CCC3 534056753 KCZAWGDADHYUIL-UHFFFAOYSA-N 440.506 4.339 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCN(c4ncccc4F)CC3)c([N+](=O)[O-])c2)cc1 534146695 IZYWHBISJJLEBK-UHFFFAOYSA-N 435.459 4.016 5 20 IIBD O=C([C@H]1COc2ccc(Br)cc21)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 534737264 QRNBIDNVHAYSJK-YJBOKZPZSA-N 435.299 4.108 5 20 IIBD O=C(CCCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)NC1CC1 536890349 QCCQMIKDTVWBRG-UHFFFAOYSA-N 433.917 4.188 5 20 IIBD COc1ccc(C2(CNC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])CCC2)cc1 542299436 CWRCZHMNZTWPMN-UHFFFAOYSA-N 438.402 4.396 5 20 IIBD O=c1c(Cl)c(N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cnn1-c1ccc([N+](=O)[O-])cc1 542555555 UMSRYRGDXCFIIH-DNVCBOLYSA-N 444.850 4.265 5 20 IIBD O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 542866099 PIPUEZXNRSETEH-XJKSGUPXSA-N 430.766 4.249 5 20 IIBD COc1cc(CNc2ccc(Cl)c(C[S@](C)=O)c2)c([N+](=O)[O-])cc1OCC(F)F 544043197 ODHGDMKUIBIZNW-LJAQVGFWSA-N 448.875 4.391 5 20 IIBD C[C@H](C(=O)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1)c1ccc([N+](=O)[O-])cc1F 544442784 GKIFVHCQJRHIKZ-LSDHHAIUSA-N 436.443 4.362 5 20 IIBD Cc1ccc(-c2noc([C@@H]3CCN(c4cccc(Br)c4)C3=O)n2)cc1[N+](=O)[O-] 545567183 RFNSWUDDIQSVHP-HNNXBMFYSA-N 443.257 4.236 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(-c3nc(-c4ccnc(OCC(F)F)c4)no3)cs2)c1 545843045 JKTWHSHTGSYCHS-UHFFFAOYSA-N 431.380 4.474 5 20 IIBD Cc1cc(-c2noc([C@H](C)NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)n2)ccc1F 546536110 LAKVDCPIXTZOJJ-LBPRGKRZSA-N 430.411 4.386 5 20 IIBD O=[N+]([O-])c1ccccc1/C=C\c1nc(Cc2nc(O)c3c4c(sc3n2)CCCC4)no1 546948008 JIBPHYFMOQKYRC-KTKRTIGZSA-N 435.465 4.328 5 20 IIBD Cc1c([N+](=O)[O-])cnc(Sc2nnc3ccc(Br)cn23)c1Br 549663443 WGPWJACPWCSEFC-UHFFFAOYSA-N 445.096 4.017 5 20 IIBD Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])C2)cc1 555738828 NPALPCABQVXCPQ-GOSISDBHSA-N 438.528 4.241 5 20 IIBD C[C@H](NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1ccc2n[nH]cc2c1 557147128 ZZLUEVLKDCDRTC-JTQLQIEISA-N 445.266 4.455 5 20 IIBD C[C@H]1CC(CCNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C[C@H](C)O1 558813413 GUTDEYNTSWBBKW-RYUDHWBXSA-N 441.315 4.411 5 20 IIBD CCCCc1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1C[C@H]1CCCCO1 559191891 UWDGDQWELMVPHA-OAQYLSRUSA-N 443.548 4.146 5 20 IIBD COc1cc(C(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)c([N+](=O)[O-])cc1OC(F)F 560276186 JWAPTQNFCFFPJR-QGZVFWFLSA-N 434.399 4.208 5 20 IIBD COc1ccc(-c2cnc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2C)cc1 590535132 UKTKIBOPYQLEMG-LBPRGKRZSA-N 430.848 4.063 5 20 IIBD CN(c1ccccc1)c1ccc(CNC2CCN(C(=O)c3ccoc3)CC2)cc1[N+](=O)[O-] 603633447 JQVXCPXQIVMNIX-UHFFFAOYSA-N 434.496 4.350 5 20 IIBD COc1ccc(CC[C@H]2CCCCN2C(=O)NCc2cccc([N+](=O)[O-])c2)cc1OC 608922679 YHXZOXGXQJHUKP-LJQANCHMSA-N 427.501 4.309 5 20 IIBD CC(=O)CCc1ccc(O[C@H](C)C(=O)Nc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)cc1 608962807 ZUWYWNZPPYFRBU-QGZVFWFLSA-N 436.468 4.017 5 20 IIBD COc1cccc2c1OC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)C2 609117263 JGWQVIGODNPXRU-MRXNPFEDSA-N 436.489 4.488 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)cc1 609198258 DHPAVXQNUJQQAZ-KRWDZBQOSA-N 433.486 4.213 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1cc(F)ccc1OC[C@@H]1CCCO1 609723848 GRBKDESZRGHZPN-HNNXBMFYSA-N 438.839 4.353 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)c([N+](=O)[O-])c1 609730520 QCSLLPYDQAZQBX-NDEPHWFRSA-N 436.555 4.285 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(C(=O)Nc2cccnc2)cc1 609730980 HKMGJALZBCHCIL-UHFFFAOYSA-N 440.843 4.303 5 20 IIBD O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](C(=O)N2CCc3c2cccc3[N+](=O)[O-])C1 609974010 XRUCPPHEOHDMCT-CQSZACIVSA-N 448.306 4.343 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCc2sc(Br)cc2C1 610934274 WSWKYCCQJOIZRO-UHFFFAOYSA-N 446.120 4.380 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(OCc2ccccc2F)CC1 611261995 GOWJXVLDQZTTRF-UHFFFAOYSA-N 448.516 4.294 5 20 IIBD CN1Cc2cc(-c3csc(NC(=O)c4cc(F)cc([N+](=O)[O-])c4)n3)ccc2NC1=O 619464448 NDAPJWAWHNQVLB-UHFFFAOYSA-N 427.417 4.087 5 20 IIBD Cc1nc(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)sc1Cc1ccccc1 619664927 WMTQAEZODFSQCT-UHFFFAOYSA-N 426.502 4.016 5 20 IIBD CCOc1ccccc1CN(CCCn1ccnc1)C(=O)c1cc(F)ccc1[N+](=O)[O-] 729399820 APEPFYGKJCVHNL-UHFFFAOYSA-N 426.448 4.062 5 20 IIBD COc1ccccc1C[C@H](C)CC(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 730653855 IXZUROQNWXOGDR-UONOGXRCSA-N 434.876 4.396 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCc1noc(-c2ccccc2)n1 733105510 FPZSDAYXZFLKSA-UHFFFAOYSA-N 439.371 4.499 5 20 IIBD C[C@H](OC(=O)[C@H]1CCCN(Cc2ccccc2)C1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 735939683 ROWAHQBKXYXTJC-LPHOPBHVSA-N 436.468 4.161 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@H]3CCC[C@@H](C(F)(F)F)C3)CC2)ccc1[N+](=O)[O-] 739386508 WUADGQXSKQXUQG-UONOGXRCSA-N 430.423 4.484 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NCC2(c3ccccc3Br)CC2)c1[N+](=O)[O-] 741243426 OYJIXWBSTMCDJD-UHFFFAOYSA-N 436.262 4.210 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1nc(-c2cccc(F)c2)no1 742920479 DTDBFBRUAPZKAA-AWEZNQCLSA-N 439.447 4.265 5 20 IIBD CC(C)c1nc(C(=O)OCCCOc2ccc([N+](=O)[O-])cc2)nn1-c1ccccc1F 745365593 STELCBYEOLOGMW-UHFFFAOYSA-N 428.420 4.064 5 20 IIBD O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1csc(-c2ccccc2F)n1 749358170 IREADCHXNBIJQS-UHFFFAOYSA-N 442.472 4.326 5 20 IIBD Cc1cc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)ccc1N1CCSCC1 749819998 AHWGIESLTONEKE-UHFFFAOYSA-N 440.569 4.312 5 20 IIBD CN1CCC(N(C)c2ccc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])cc2)CC1 750826662 VJMHWVFMDACXIL-UHFFFAOYSA-N 447.333 4.140 5 20 IIBD CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)c2c3ccccc3cc3ccccc23)CC1 754618561 JLMGPAVDABOPTP-QGZVFWFLSA-N 433.504 4.340 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Oc1cc2ccnc(O)c2cc1F 754768247 JJYMGNJKJLJOMX-UHFFFAOYSA-N 433.200 4.062 5 20 IIBD O=C(NC[C@H](O)c1cc2ccccc2s1)Nc1ccc(Br)c([N+](=O)[O-])c1 755023740 GAHVGAXXBNTXDZ-AWEZNQCLSA-N 436.287 4.427 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1csc([C@@H]2CCCO2)n1 756485289 CCTOKYAYPMEJHR-INIZCTEOSA-N 443.485 4.004 5 20 IIBD O=C(Cc1csc2nc(-c3ccccc3)cn12)NCc1cc([N+](=O)[O-])ccc1Cl 756996394 GRDCAWXZVRIDAV-UHFFFAOYSA-N 426.885 4.483 5 20 IIBD COC[C@@](C)(NC(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)C(=O)OC 757010209 PORHIZIWRGQEEW-AREMUKBSSA-N 431.488 4.241 5 20 IIBD CCCN(CC)C(=O)c1ccc(C(=O)O[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 759955530 XUBMWGWBYMYPJW-RTBURBONSA-N 428.489 4.004 5 20 IIBD CSc1ccc(C(=O)OCc2cc(=O)c(OCc3ccccc3)co2)cc1[N+](=O)[O-] 760235902 HRQQUZRSDLLCGH-UHFFFAOYSA-N 427.434 4.206 5 20 IIBD O=C1CCSc2ccc(C(=O)OCc3coc(-c4ccc([N+](=O)[O-])cc4)n3)cc2N1 760472914 FJFQRARKFCIIIX-UHFFFAOYSA-N 425.422 4.041 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1nc2ccccc2s1 762439881 ALKBLUQRIXJPLI-UHFFFAOYSA-N 432.479 4.217 5 20 IIBD CC(C)(C)OC(=O)Nc1cc2c(cc1NC(=O)c1c[nH]c3cccc([N+](=O)[O-])c13)OCO2 762998517 DSDKZKVDJFLYJM-UHFFFAOYSA-N 440.412 4.404 5 20 IIBD CCOc1cc(/C=C\C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1O 768617152 DHHWXRSOSRUGHY-ZRVMKQEGSA-N 425.397 4.067 5 20 IIBD Cc1cccc(-c2cncc(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2)c1 768682346 VYDFIJUBORZMBV-UHFFFAOYSA-N 425.828 4.414 5 20 IIBD Cc1ccc(CCC(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)c(Br)c1 772826457 OODULUUNGXJOCO-UHFFFAOYSA-N 436.258 4.208 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)c1nc(-c2cccc(F)c2)no1 775149950 OKELKQSURPZZMS-LBPRGKRZSA-N 447.444 4.440 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](O)c1ccc(OC(F)(F)F)cc1 775542052 HKJXBEVZIURNPU-INIZCTEOSA-N 444.431 4.457 5 20 IIBD Cc1ccc(-n2c(SC[C@H](O)c3ccc([N+](=O)[O-])cc3)nnc2-c2ccncc2)cc1 776273410 BCFNXYZVPJGKGX-FQEVSTJZSA-N 433.493 4.372 5 20 IIBD Cc1ccc(-n2c(SC[C@@H](O)c3ccc([N+](=O)[O-])cc3)nnc2-c2ccncc2)cc1 776273413 BCFNXYZVPJGKGX-HXUWFJFHSA-N 433.493 4.372 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccnn1Cc1cccc2ccccc12 781617258 PYLGWPSHUGPBJY-UHFFFAOYSA-N 445.435 4.472 5 20 IIBD C[C@H](OC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Cl)cc2n1C 781712368 HBUNXCILLPTTAR-NSHDSACASA-N 432.820 4.280 5 20 IIBD Cc1nc(-c2ccccc2F)sc1[C@H](C)OC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 782599766 GJDSNLYTZRAFHK-ZDUSSCGKSA-N 443.456 4.200 5 20 IIBD C[C@@H]1CC[C@@H](C)N1CC(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 785744128 OAZRFJDPGRINST-PZPWOCDFSA-N 445.903 4.344 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)OCCCN2CCCC2)cc1[N+](=O)[O-] 787970807 MEMPJMVOFPFDFY-UHFFFAOYSA-N 428.510 4.190 5 20 IIBD COC(=O)COc1ccc(CNc2ccc3c(c2)OC2(CCCCC2)O3)cc1[N+](=O)[O-] 788964015 BYGNAGUGIGQXEB-UHFFFAOYSA-N 428.441 4.190 5 20 IIBD COc1cc(C(C)=O)c(OC)cc1OC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 790849195 HLEMIBGLWHUBAV-UHFFFAOYSA-N 438.230 4.105 5 20 IIBD COC1(CC(=O)O[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)CCC1 791514843 VOQJCDIPKMIMQY-LJQANCHMSA-N 432.860 4.430 5 20 IIBD COC(=O)c1cc(NC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)c(C)c([N+](=O)[O-])c1 792632400 YJGUROIEGPBNJP-UHFFFAOYSA-N 443.456 4.218 5 20 IIBD Cc1nc2cc(F)c(F)cc2n1CC(=O)OCc1ccc([N+](=O)[O-])cc1Br 796007434 IEWJQYDOQUKKBL-UHFFFAOYSA-N 440.200 4.037 5 20 IIBD Cc1cc(OCC(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)ccc1[N+](=O)[O-] 797738561 FVJZTDKQEALMCP-HXUWFJFHSA-N 426.494 4.106 5 20 IIBD CCC[C@H](C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccccn1 799535739 GIVAWPNTRDCRDD-JSGCOSHPSA-N 439.390 4.463 5 20 IIBD O=C(c1cc(Br)ncc1Cl)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 806961259 NTVPSVOHCXYDCL-UHFFFAOYSA-N 440.681 4.089 5 20 IIBD Cc1ccc(Cc2nc(C(=O)O[C@H]3CCN(Cc4cccc([N+](=O)[O-])c4)C3)cs2)cc1 813172131 GEQWWCDVRRUBLW-FQEVSTJZSA-N 437.521 4.382 5 20 IIBD CC(C)S(=O)(=O)N(Cc1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1F 814264975 JSXAKORTRSIOJZ-UHFFFAOYSA-N 431.283 4.241 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCCN(C(=O)c2ccccc2)C1 815208554 UBGWGGHPNWYQCL-OAHLLOKOSA-N 436.386 4.209 5 20 IIBD CSc1nc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Sc3nc[nH]n3)cc2s1 825494950 ABZRHKBUMNTQBZ-UHFFFAOYSA-N 444.523 4.448 5 20 IIBD O=C(COC(=O)COc1c(Cl)cccc1Cl)Nc1cc(Cl)ccc1[N+](=O)[O-] 849200853 NSYPVQHEKOGOIU-UHFFFAOYSA-N 433.631 4.116 5 20 IIBD Cc1ccc(C)c(NC(=O)[C@@H](C)OC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 917258436 SSVRTTNJEKASEK-CYBMUJFWSA-N 440.374 4.337 5 20 IIBD O=C1N[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)Nc2ccc(N3CCOCC3)cc21 917500160 XLAZPCVWQMIUEV-NRFANRHFSA-N 436.493 4.014 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OCc2ccccc2)c1 917757014 QEOPHIZPJQCUCM-UHFFFAOYSA-N 443.437 4.191 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)OCC(=O)N(C)[C@H](C)c2cc3ccccc3o2)c1 919112009 FKKHMKDXMUPQQT-MRXNPFEDSA-N 440.452 4.181 5 20 IIBD Cc1cnn(CCC(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)c1 919638972 OWNARPWYUVWCFK-HXUWFJFHSA-N 442.859 4.066 5 20 IIBD O=C(Nc1ccccc1)c1ccccc1OS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 920314370 VTMZEFVSZBYCMA-UHFFFAOYSA-N 432.841 4.268 5 20 IIBD O=Cc1ccc(-c2ccc(C(=O)OCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])cc2)o1 1116003291 FQPOYAUQHVHRTD-UHFFFAOYSA-N 428.784 4.116 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N1CC[C@H]2OCCC[C@H]2C1 1116344238 QKAFSRXZDSBGJX-DQLDELGASA-N 429.904 4.429 5 20 IIBD Cc1ccc2c(c1)S[C@@H](C(=O)N(Cc1nnc(-c3cccc([N+](=O)[O-])c3)o1)C(C)C)C2 1119574731 LYVCKJNNWIEZIF-LJQANCHMSA-N 438.509 4.407 5 20 IIBD Cn1nc(C(C)(C)C)cc1NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 1318595536 CIDHETOYUHZCOJ-UHFFFAOYSA-N 437.287 4.371 5 20 IIBD O=C(c1ccccc1)N1CCC[C@@H](Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 1321014896 GGBQEKQJKUPXOK-CYBMUJFWSA-N 444.360 4.361 5 20 IIBD Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1N 1321293199 DDUYUFPDLZVTJH-UHFFFAOYSA-N 435.278 4.095 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Cc1coc(-c2ccccc2)n1 1332590466 GBJVUZNYKKVWKF-UHFFFAOYSA-N 447.451 4.280 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1csc(Cc2ccc(Cl)cc2)n1 1339176754 WTKDFAXJRYRYJK-UHFFFAOYSA-N 427.873 4.102 5 20 IIBD COc1ccc(C)c(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])[nH]4)CCC3)cc2)c1 1790704492 YWSRZLYKXKKLOC-UHFFFAOYSA-N 448.479 4.301 5 20 IIBD CCCCC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(C)c([N+](=O)[O-])c1 1800140022 OODFRUCKNMODKK-AYWYSENESA-N 429.561 4.300 5 20 IIBD Cc1ccc([C@H](C)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc([N+](=O)[O-])cc2F)cc1 1800352233 AYAGHVFHQBBJLJ-KANFNMMFSA-N 439.487 4.098 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCCC2(CCN(C(=O)c3cccc4ccoc34)CC2)C1 1804654226 NAZILJJLLWTBJT-UHFFFAOYSA-N 437.452 4.093 5 20 IIBD C[C@@]1(C(=O)N2CCC3(CCCN(C(=O)Cc4cccc([N+](=O)[O-])c4)C3)CC2)CC=CCC1 1804752957 NGHWBUZGZVCQOU-XMMPIXPASA-N 439.556 4.115 5 20 IIBD CC[C@H](C)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cc(F)ccc2[N+](=O)[O-])[nH]n1 1815047274 OPJMIDVECMONLH-LIRRHRJNSA-N 445.495 4.128 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CCCCN2C(=O)C2CCC2)CC1 1826251222 VRLMRRAXKXHUTQ-IBGZPJMESA-N 445.585 4.107 5 20 IIBD CC(C)=CCCC(=O)N1CC2(CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 1845739404 UFTPGEKUZQUYEK-UHFFFAOYSA-N 427.526 4.373 5 20 IIBD Cc1cccc(C(=O)OCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)c1[N+](=O)[O-] 9022384 AMJOXAKBPJYFCE-UHFFFAOYSA-N 436.468 4.182 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CCC(C(=O)c4ccccc4)CC3)cc2)c(C)c1[N+](=O)[O-] 14412956 PSIKAAODMFBTMW-UHFFFAOYSA-N 446.507 4.192 5 20 IIBD Cc1nc(COc2ccccc2C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cs1 19485277 BUYOUCHGCVSSMV-ZDUSSCGKSA-N 441.465 4.123 5 20 IIBD CCn1c(SCC(=O)OCc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1 21967877 BVCPFWOHKGMOOV-UHFFFAOYSA-N 432.889 4.362 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 23587802 WUAGGOXCHRGKRC-ZDUSSCGKSA-N 437.452 4.148 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 24227741 UMQFTQONMRPNSU-KRWDZBQOSA-N 432.860 4.152 5 20 IIBD Cc1ccc(-c2noc([C@H](C)N3CCN(c4ccc([N+](=O)[O-])c5cnccc45)CC3)n2)cc1 25494575 BVBVSDDCUQWQFQ-KRWDZBQOSA-N 444.495 4.385 5 20 IIBD Cc1ccc(S(=O)(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc1[N+](=O)[O-] 32440509 WMLQQAGSERLWQR-UHFFFAOYSA-N 429.479 4.251 5 20 IIBD CCC[C@@H](NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 303199590 YYJURUXPHCVARN-SCLBCKFNSA-N 437.418 4.390 5 20 IIBD C[C@@H](CC(C)(C)c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303417674 BUBRKWZZYPNCNX-RDJZCZTQSA-N 429.542 4.134 5 20 IIBD O=C(CC1CC(c2ccccc2)C1)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 409935590 DPOFLUYHFRDVSK-UHFFFAOYSA-N 433.512 4.094 5 20 IIBD C[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1nc(Cc2ccccc2)no1 427202313 BIRLUEQGTLCKRA-ZDUSSCGKSA-N 435.465 4.183 5 20 IIBD O=C(NC[C@]1(CO)C[C@@H]1c1ccc(F)cc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 430125898 UWAAIUFDFHVXFN-BWKNWUBXSA-N 449.482 4.242 5 20 IIBD Cc1cc(OCC(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)ccc1[N+](=O)[O-] 430393151 LCYAGGQZVRQVGL-UHFFFAOYSA-N 425.485 4.117 5 20 IIBD CC(C)NC(=O)c1ccc(N2CCC3(CCN(Cc4ccccc4)CC3)C2)c([N+](=O)[O-])c1 431502746 RHHUXMPVZPJADE-UHFFFAOYSA-N 436.556 4.226 5 20 IIBD COc1ccc(Br)c(CN(C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])c1 432902406 KVGYVKUVROZCGL-UHFFFAOYSA-N 425.279 4.015 5 20 IIBD Cc1ccc(NC(=O)N(C)C)cc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 435476090 ATEOCJYJIBZFOT-UHFFFAOYSA-N 447.300 4.104 5 20 IIBD CCn1c([C@@H]2CCCN2CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)nc2ccccc21 437656094 ZVXYZMJPOIUQLI-IBGZPJMESA-N 435.484 4.100 5 20 IIBD CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 440466222 AGKRZQIJLTVRSC-HZPDHXFCSA-N 427.526 4.123 5 20 IIBD O=C(NCCNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 440482386 CWZNMOIKPUNYIS-UHFFFAOYSA-N 439.468 4.045 5 20 IIBD CC[C@H](C)Oc1cc(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)ccn1 444284010 FPVFUUGDONMOEQ-ZDUSSCGKSA-N 437.446 4.462 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1nnc(-c2ccccc2)n1C 444763428 CYRQKRGAUZICOS-UHFFFAOYSA-N 439.541 4.255 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1cccc(C[S@](=O)c2ccccc2)c1 444898107 OOMVPFWUPMHCAM-YTTGMZPUSA-N 449.492 4.101 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(CCn2cc(Br)cn2)cc1 446036707 VBLJEBIVJZYDPR-UHFFFAOYSA-N 443.301 4.368 5 20 IIBD C[C@H](c1ccc(F)c(F)c1)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 461583460 VVAPHUAARVFCMA-HUUCEWRRSA-N 443.454 4.365 5 20 IIBD COc1cc(C)c([C@@H](C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1OC 462144059 XCPVFDUPIYYHKJ-SNVBAGLBSA-N 449.312 4.267 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OC)c(N2CCCCC2=O)c1 462443264 WZCLSTGKUDSVBB-QGZVFWFLSA-N 425.485 4.328 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)N1CC[C@@H](n2cccn2)C1 462983211 ZOYXTGLATHPVJA-QGZVFWFLSA-N 425.876 4.144 5 20 IIBD COc1cc(COc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c([N+](=O)[O-])cc1F 463435432 KSFUWUIHAHNZRG-UHFFFAOYSA-N 446.456 4.147 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Br)ccc2Cl)c2ncccc12 463534506 WDZPUAGHKPGIMC-UHFFFAOYSA-N 442.678 4.360 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1OCC(=O)Nc1cccnc1 466243180 GENBJILSKVFRLB-GOSISDBHSA-N 448.479 4.215 5 20 IIBD CN(C(=O)[C@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2)c1nc(-c2ccccc2[N+](=O)[O-])cs1 467990770 PTQMPJVKBSYNOP-KBUPBQIOSA-N 427.404 4.037 5 20 IIBD Cc1ccc(NC(=O)C(=O)N(C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 471195256 RJDNHSJQSKOFBG-GFCCVEGCSA-N 440.283 4.074 5 20 IIBD C[C@H](C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1ccc([N+](=O)[O-])cc1F 471461027 YHUBZVFFMDOLQL-SIXIKZCJSA-N 425.229 4.411 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccc1 472562671 IVRBOSWTCOHCRR-HXUWFJFHSA-N 441.846 4.426 5 20 IIBD COc1cc([C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C(F)(F)F)cc(OC)c1OC 473773703 CUEHYILHTZBZOA-KRWDZBQOSA-N 443.378 4.354 5 20 IIBD CCOc1cc(N2CCN(C(=O)N[C@@H](c3cccs3)C3CC3)CC2)ccc1[N+](=O)[O-] 474023595 RLCMVQNKSYCVGM-HXUWFJFHSA-N 430.530 4.038 5 20 IIBD COC(=O)c1cccc(OCc2noc([C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)c1 476931837 ZHLNFJVULWWJAH-NSHDSACASA-N 433.804 4.137 5 20 IIBD CC(=O)N1CCC[C@H](CNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 477309357 OXXRIYOYNFAFRK-OAHLLOKOSA-N 447.944 4.388 5 20 IIBD CC(C)c1nc2ccc(NC(=O)C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])cc2s1 477915284 VEPPSXUUDAZGQQ-UHFFFAOYSA-N 446.916 4.279 5 20 IIBD COc1cc(C(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@@H](C)C2)cc([N+](=O)[O-])c1C 478679072 QIKHYSYXTKGULI-HUUCEWRRSA-N 425.485 4.282 5 20 IIBD CCc1cc(Sc2nnc(COc3ccccc3)n2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 481809580 CDQWMHKEAYJPQV-UHFFFAOYSA-N 448.508 4.473 5 20 IIBD COc1cc(C(=O)NC2(C(=O)O)CCCC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 482218929 ZZPXJFZLGOJTID-UHFFFAOYSA-N 434.832 4.176 5 20 IIBD O=C(NCC1(c2ccc(F)cc2)CCOCC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 485440296 OTBLPHKNMRETPK-UHFFFAOYSA-N 427.476 4.156 5 20 IIBD COc1ccc(NC(=O)c2cccc(SC)c2[N+](=O)[O-])cc1Oc1ccc(C)nn1 485517254 OOCSJPQPBPNGDV-UHFFFAOYSA-N 426.454 4.468 5 20 IIBD CCOC(=O)c1cc(N[C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)ccc1[N+](=O)[O-] 485959335 PYBUHSHCPCJDIU-MRXNPFEDSA-N 440.500 4.201 5 20 IIBD CSc1cccc(C(=O)N2CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)c1[N+](=O)[O-] 487043351 ZYPDVKBMLFVSCS-UHFFFAOYSA-N 448.932 4.268 5 20 IIBD CC(C)(NC(=O)NCc1cc(F)c(F)cc1Br)c1ccccc1[N+](=O)[O-] 491031901 FXPNKIWKSGAYSX-UHFFFAOYSA-N 428.233 4.370 5 20 IIBD O=C(Nc1cccc(S(=O)(=O)C2CCCCC2)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 491892750 SBDCSQPPMJYBSX-UHFFFAOYSA-N 427.482 4.435 5 20 IIBD COc1ccc(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c(C(F)(F)F)c1 500796943 SSPDDTRMOLYIHH-UHFFFAOYSA-N 436.289 4.485 5 20 IIBD CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 501163743 JQOMCPYGXCGEBW-KRWDZBQOSA-N 448.483 4.040 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCC(CCCN(C)C)CC2)cc1[N+](=O)[O-])c1ccccn1 501651278 SCPDVWOMTLBMLY-SFHVURJKSA-N 439.560 4.357 5 20 IIBD Cc1ccc(-c2csc(Nc3ncnc4c3cnn4-c3ccncc3)n2)cc1[N+](=O)[O-] 502698311 DNRVJSUDIWCNDM-UHFFFAOYSA-N 430.453 4.294 5 20 IIBD Cc1cccc(N2CCN(CCCCNC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)c1 503241561 MVALSBYFFBDPJC-UHFFFAOYSA-N 445.951 4.281 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)c1c(-c2cccc(Br)c2)noc1C 503921868 ZAADWTMDTKVTBB-UHFFFAOYSA-N 446.257 4.259 5 20 IIBD COc1ccc(CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1Br 507006807 VBMZTLNVRRSDRO-NSHDSACASA-N 425.304 4.163 5 20 IIBD Cc1cc(C(C)(C)C)cc(C)c1CS(=O)(=O)CCC(=O)Nc1ccccc1[N+](=O)[O-] 507677480 LTLJJRQGAHQVML-UHFFFAOYSA-N 432.542 4.453 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccc(C(=O)NCCc2ccccc2)cc1 507850604 KRJXTTVCSKUATI-UHFFFAOYSA-N 435.505 4.298 5 20 IIBD COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)CSc1ccc([N+](=O)[O-])cc1 508463419 AJOPDROCCWJCDU-KRWDZBQOSA-N 443.308 4.366 5 20 IIBD CCOc1cccc(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)c1 509577838 CGHHNZDTLROFSD-UHFFFAOYSA-N 426.210 4.159 5 20 IIBD CC(C)CN(C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)C1CCN(C)CC1 509918763 UQXBGFUYPRNSHD-GOSISDBHSA-N 439.560 4.355 5 20 IIBD O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)c1ccc(Cl)cc1[N+](=O)[O-] 512138522 YWTSMNHOAMPTEM-GFCCVEGCSA-N 438.709 4.267 5 20 IIBD Cc1ccc(C(=O)NC2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)s1 512657646 GQAZZTOQPBTWLE-UHFFFAOYSA-N 442.566 4.483 5 20 IIBD CCc1cccc2c(C3CCN(S(=O)(=O)Cc4ccc([N+](=O)[O-])cc4)CC3)c[nH]c12 515724160 SETQTUWVWALDFT-UHFFFAOYSA-N 427.526 4.348 5 20 IIBD CCc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)cn2)c1 516047349 AEOGAOJHADJPOW-HNNXBMFYSA-N 434.452 4.160 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2nnc(Cc3ccccc3F)s2)cc1SC 518120591 GNXDAMLRGYNTHQ-UHFFFAOYSA-N 434.474 4.159 5 20 IIBD C[S@](=O)CCCNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 518422204 NXTCNZKTPUSMOC-QVWLHTRISA-N 443.550 4.020 5 20 IIBD Cc1ccc(-n2c(Sc3nccc(C(N)=O)c3[N+](=O)[O-])nnc2-c2cccc(C)c2)cc1 519676481 NLTRQDARTFRNCL-UHFFFAOYSA-N 446.492 4.104 5 20 IIBD CC[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 522544324 OXRLZYIMIKRQHS-CTNGQTDRSA-N 443.931 4.299 5 20 IIBD CCCN(C(=O)CSc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)c2ccccc2)CC1 523409092 FPLWCPUDDVUIFC-UHFFFAOYSA-N 441.553 4.230 5 20 IIBD O=C(NCCc1cc(Br)ccc1F)c1ccc([N+](=O)[O-])cc1Br 523508366 YIJIQZSHKPFNLP-UHFFFAOYSA-N 446.070 4.231 5 20 IIBD CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 523995847 CZINBIZRUFQEOK-UHFFFAOYSA-N 436.468 4.060 5 20 IIBD CNC(=O)c1cccc(CCNc2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])c1 524840309 UKTAPKVAAFIVPZ-UHFFFAOYSA-N 432.480 4.170 5 20 IIBD C[C@H](NC(=O)c1cc2ccccc2c2cccnc12)[C@@H]1CN(Cc2ccccc2)CCO1 525464550 FTZRNCURKDXEDP-DFBJGRDBSA-N 425.532 4.407 5 20 IIBD CCc1ccc([C@@H](COC)NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)o1 525550711 IAHZISHYVBTIDI-FOIQADDNSA-N 438.484 4.436 5 20 IIBD COc1ccc2c(c1)CN(C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)C2 532105383 ZLDNEBFEJOSIDT-JOCHJYFZSA-N 432.476 4.481 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN3CCN(c4nc5ccccc5s4)CC3)o2)c1 533956369 HORGQUIQOSWNJG-UHFFFAOYSA-N 435.509 4.224 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2ncco2)ccc1C 534241463 IHKDWPBLNKZYHH-UHFFFAOYSA-N 441.465 4.466 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 535381256 BTUMXHYORLWDNN-UGSOOPFHSA-N 446.410 4.381 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CC[C@H]4[C@H](CCC(=O)N4C4CC4)C3)c([N+](=O)[O-])c2)cc1 536393363 YWCGPNTVLAVTHK-NQIIRXRSSA-N 448.523 4.135 5 20 IIBD C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](C(=O)Nc1ccccc1)c1ccccc1 539075101 UVUMGCFQLJLMEO-SBUREZEXSA-N 432.480 4.282 5 20 IIBD CCCN1C(=O)CCc2cc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])ccc21 539153069 RERUVOHQYNLTMF-UHFFFAOYSA-N 432.274 4.299 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 539651249 VNTSTSDEZIBPTA-SFHVURJKSA-N 441.553 4.266 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCN3CCOc4cccc2c43)cc1[N+](=O)[O-])c1ccccn1 539991299 TUQOJBSZAZOCQD-INIZCTEOSA-N 445.479 4.022 5 20 IIBD Cc1sc2nc(Sc3ncc([N+](=O)[O-])c(C)c3Br)n(C)c(=O)c2c1C 541589952 RCWLGJQUNQEKCI-UHFFFAOYSA-N 441.332 4.137 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1 543139342 AAPJIIIGKUPXRE-UHFFFAOYSA-N 449.916 4.043 5 20 IIBD C[C@@H](c1ccncc1)N1CCC(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 543323686 KUELFFQRGBANCH-AWEZNQCLSA-N 434.949 4.077 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC(C(=O)N(C)C(C)C)CC2)cc1OC 543844083 CFJFGIPQMCKJAP-QGZVFWFLSA-N 435.565 4.107 5 20 IIBD NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCc1ccccc1COc1ccccc1Cl 543901072 DHILBLFMPPPGDM-UHFFFAOYSA-N 447.900 4.087 5 20 IIBD CCN(CC1CCN(c2ccccn2)CC1)c1ncc([N+](=O)[O-])c(C)c1Br 544393667 GMNRUUZVVNDFIH-UHFFFAOYSA-N 434.338 4.199 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(-c2noc(-c3ccc(SC)c([N+](=O)[O-])c3)n2)cc1 547044979 QYLATCAFQCARRF-UHFFFAOYSA-N 448.526 4.064 5 20 IIBD O=C(Nc1cccc2c1CNC2=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 553704890 RHIHLGWKTIZUOX-UHFFFAOYSA-N 436.855 4.356 5 20 IIBD CC(=O)NCC[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 554661734 AGPFEXKFDXIRKC-KRWDZBQOSA-N 433.574 4.256 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(Cc2nc(C(C)C)no2)cc1 555426878 FVHFXNWGOAPHBD-UHFFFAOYSA-N 430.486 4.110 5 20 IIBD Cn1ccnc1[C@H](N[C@H]1CCCN(c2ccccc2Cl)C1)c1cccc([N+](=O)[O-])c1 556868155 PIDGUFBDLGURKP-LAUBAEHRSA-N 425.920 4.330 5 20 IIBD COc1ccc([C@H](C)NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1Br 557757903 LQCSDRAGGYXIQX-ZDUSSCGKSA-N 436.306 4.311 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CC(=O)OC)c2ccc(C(F)(F)F)cc2)c1 558802307 GTHKFZKRPQZWAX-MRXNPFEDSA-N 440.374 4.047 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCCO)N1CC[C@@H](Sc2cccc(Cl)c2)C1 565115737 LUXVCTIINWOMSQ-MRXNPFEDSA-N 438.958 4.339 5 20 IIBD CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1 567186856 IPULDFCZCORYKE-GFCCVEGCSA-N 442.946 4.011 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](COCC(C)C)c1ccco1 569350509 YWIFDCVFDUTRBO-INIZCTEOSA-N 425.279 4.402 5 20 IIBD O=C(NCc1ccc(Cn2cncn2)cc1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 570320047 XKJKCCPJHOKMPA-UHFFFAOYSA-N 445.504 4.316 5 20 IIBD O=[N+]([O-])c1cc2c(Sc3nnc(-c4cccs4)n3C[C@@H]3CCCO3)ncnc2s1 570834369 NJRFQVKZAQJZAG-JTQLQIEISA-N 446.539 4.250 5 20 IIBD CN1C(=O)CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c2ccccc21 570994047 JTMZNKCGCBWVRC-UHFFFAOYSA-N 431.448 4.187 5 20 IIBD Cc1occc1-c1nnc(SCc2cc(I)cc([N+](=O)[O-])c2)o1 571209869 QJUVBBBXFGXZNU-UHFFFAOYSA-N 443.222 4.443 5 20 IIBD Cc1c(NCc2cc(I)cc([N+](=O)[O-])c2)cnn1C1CCCC1 579168423 JDSHGFWQEWSNQS-UHFFFAOYSA-N 426.258 4.432 5 20 IIBD O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC=C(c2c(F)cccc2F)CC1 580748143 FDVKXIDQOQHBGE-UHFFFAOYSA-N 426.423 4.396 5 20 IIBD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NC[C@H]2CCN(c3ccc(Br)cc3)C2)n1 583123369 BLHMSBXZLPECHL-AYOQOUSVSA-N 448.365 4.154 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(OCCOc3ccccc3)nc2)c1 603969600 HVWNVDGXULOAOM-UHFFFAOYSA-N 439.493 4.100 5 20 IIBD O=[N+]([O-])c1cc(I)ccc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 608974390 ZBWMTTDXCVMEMK-MRXNPFEDSA-N 446.191 4.056 5 20 IIBD Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 609090010 ZKGHGQMPKGWYPL-SFHVURJKSA-N 447.491 4.341 5 20 IIBD Cc1ccccc1C1(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 609725128 GZUVQOLJKMZZCC-UHFFFAOYSA-N 432.904 4.190 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(C(=O)NCCc2ccccc2)cc1 609784752 WXEAKYHHFSMRPF-UHFFFAOYSA-N 437.883 4.402 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2CN(C)C(=O)c2cccs2)c1 609981184 FOLVDBBUWIVGHG-UHFFFAOYSA-N 425.466 4.189 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(Br)cc1F 610327211 AHYJSHSRGPRFHO-VIFPVBQESA-N 440.225 4.166 5 20 IIBD CN(c1ccccc1)c1ccc(CN2CCC(C(N)=O)(c3ccccc3)CC2)cc1[N+](=O)[O-] 611272252 RPQJPJSHDWVHGG-UHFFFAOYSA-N 444.535 4.382 5 20 IIBD C[C@@H]1CCCCN1CCOc1ccccc1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 619773140 QDUKFKABYZSGKM-LJQANCHMSA-N 425.529 4.163 5 20 IIBD CSc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Br 725984500 ISAVJEZWOYECKI-JTQLQIEISA-N 439.287 4.263 5 20 IIBD COc1ccc(COC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)cc1[N+](=O)[O-] 726022837 AFARQNHYDZJDIP-UHFFFAOYSA-N 432.517 4.292 5 20 IIBD COc1ccc(CC(=O)OCC(=O)N2c3ccccc3CCc3ccccc32)cc1[N+](=O)[O-] 727884359 XYCXNXCSQBTGJS-UHFFFAOYSA-N 446.459 4.153 5 20 IIBD CN(C(=O)COC(=O)c1ccc(-c2ccc(F)cc2)cc1F)c1ccc([N+](=O)[O-])cc1 730058407 VQNBWNGVIARRAD-UHFFFAOYSA-N 426.375 4.360 5 20 IIBD COc1cccc(C2(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CCCC2)c1 731261572 XPQRDEDESUSIKI-UHFFFAOYSA-N 432.860 4.251 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)cc1[N+](=O)[O-] 731783646 UNZAINRFIIFLDK-UHFFFAOYSA-N 425.894 4.048 5 20 IIBD CC(C)(C)OC(=O)N1CCc2ccc(Nc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])cc2C1 732050561 CZAMCPBTAHGDBZ-UHFFFAOYSA-N 447.513 4.035 5 20 IIBD O=C(N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1cc(Cl)ccc1[N+](=O)[O-] 732137747 KFAMKQAKFXVMFV-HNNXBMFYSA-N 426.275 4.435 5 20 IIBD O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H](OC1CCCC1)c1ccccc1 735350608 YSTWWUVBKSHFAI-OAQYLSRUSA-N 440.452 4.137 5 20 IIBD COc1cc(C(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)ccc1[N+](=O)[O-] 735638718 ZPXZXOURFIUYRP-UHFFFAOYSA-N 449.379 4.210 5 20 IIBD CC(C)(C)OC(=O)NCc1ccc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)o1 744366865 BEXUPSOGSISQOK-GOSISDBHSA-N 433.486 4.100 5 20 IIBD O=C(Cn1c(SC(F)F)nc2ccccc21)N(Cc1ccccc1[N+](=O)[O-])C1CC1 746938531 WYKHQIOBCDCPTD-UHFFFAOYSA-N 432.452 4.450 5 20 IIBD O=C(COc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 747810915 FRQAYPQHBUZBRJ-KRWDZBQOSA-N 432.860 4.152 5 20 IIBD Cc1ccccc1CN(C)C(=O)[C@H](C)OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 747958311 YAYKSBNLTFGZOA-HNNXBMFYSA-N 439.493 4.231 5 20 IIBD Cc1c(CC(=O)N2CCC(=C3C(=O)Nc4cc(Cl)ccc43)CC2)cccc1[N+](=O)[O-] 749222198 LCOJUKFEDPGFMN-UHFFFAOYSA-N 425.872 4.127 5 20 IIBD C[C@H](OC(=O)c1cccc(Cl)c1[N+](=O)[O-])C(=O)Nc1ccc(OC(F)(F)F)cc1 750535758 QXZWVJHTPUZSIW-VIFPVBQESA-N 432.738 4.331 5 20 IIBD C[C@H](C[C@H](O)c1cccs1)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 751942066 LQSYNUAZXWDTTO-KUHUBIRLSA-N 447.538 4.381 5 20 IIBD COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 752415872 BTGXWNSRSXKHGW-MGPUTAFESA-N 443.500 4.355 5 20 IIBD Cc1cc(S(=O)(=O)Nc2cccc3c2CCN3C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] 753983565 JXVJEFCDMXFTFW-UHFFFAOYSA-N 433.486 4.002 5 20 IIBD O=C(NCCCOc1ncc(C(F)(F)F)cc1Cl)c1cc(F)c(F)cc1[N+](=O)[O-] 757988764 FWLIURQLFFALFQ-UHFFFAOYSA-N 439.724 4.139 5 20 IIBD Cc1cccc(C(=O)N2CCCC2)c1NC(=O)c1cccc([N+](=O)[O-])c1Br 758012998 BYVOUHBODUDJTJ-UHFFFAOYSA-N 432.274 4.154 5 20 IIBD CCc1cc(C(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)c(C)nn1 758827551 UGJNTNNDYGQSCX-UHFFFAOYSA-N 440.843 4.381 5 20 IIBD CC[C@@H](OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccc(Br)cc1 761000280 MDXABLSUNDXEGN-OAHLLOKOSA-N 442.287 4.069 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1SCCO)C(=O)C12CC3CC(CC(C3)C1)C2 763744383 LKIRCOAPSLQXPW-QRYOHXEKSA-N 433.526 4.010 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCCO[C@@H](c3ccccc3)C2)c1=S 764974519 CSXSJQLYUVCBMV-HXUWFJFHSA-N 439.541 4.430 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 765487756 GPAOLJUZKCIADO-IBGZPJMESA-N 433.549 4.269 5 20 IIBD COc1cc(COC(=O)[C@@H]2CCCN(C(=O)Nc3cccc(C)c3)C2)c([N+](=O)[O-])cc1F 766203042 SIVVXTDBBUOCAP-OAHLLOKOSA-N 445.447 4.038 5 20 IIBD CC(C)(COC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])S(C)(=O)=O 768010615 LSDIGDFUSLNSAV-UHFFFAOYSA-N 443.930 4.379 5 20 IIBD Cc1ccc(C(=O)Nc2cccc(CNC(=O)c3cc(F)c([N+](=O)[O-])cc3F)c2)cc1 769487467 VIOXQAUIWDHANW-UHFFFAOYSA-N 425.391 4.364 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNc2ccc(OCCO)cc2)cc1 770566457 LXXCILARAFCDLY-UHFFFAOYSA-N 430.464 4.431 5 20 IIBD Cn1cc(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c2ccc(F)cc21 771562596 PKJIXIONDKMHBQ-UHFFFAOYSA-N 438.228 4.100 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCSc3ccccc32)cc1Br 774715750 HCSSGEDAKSSWMX-UHFFFAOYSA-N 429.317 4.048 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1c[nH]cc1-c1ccc(C)s1 778432479 HBEWAMZWZBDENV-LBPRGKRZSA-N 429.454 4.152 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)S(=O)(=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 778559971 HRVGTCUZDSCRAS-ZDUSSCGKSA-N 431.426 4.142 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NC(=O)c1cccc([N+](=O)[O-])c1N 779356577 ONIHAOGDYOWREZ-QGZVFWFLSA-N 426.473 4.331 5 20 IIBD O=C(OCc1nc(Cc2ccccc2)no1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781257007 ISCBABJTEFLNMY-UHFFFAOYSA-N 447.397 4.290 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCCc1nc2cc(Cl)ccc2s1 781594500 NKQJNDREDDHKBS-UHFFFAOYSA-N 434.861 4.058 5 20 IIBD CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1cc(F)c([N+](=O)[O-])cc1F 781806168 FKAPEJNVHXKANW-UHFFFAOYSA-N 435.427 4.139 5 20 IIBD C[C@H](NC1(CNC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCCC1)c1ccccc1 781969934 OLBFCPDKNKFREU-KRWDZBQOSA-N 440.500 4.215 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC(CCCn2ccnc2)CC1 783076606 UKUKOCSHHQKDKV-UHFFFAOYSA-N 436.310 4.278 5 20 IIBD CC(C)(C)OC(=O)NCC1(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCCC1 785658327 FUCBPTSUUAZJFH-UHFFFAOYSA-N 445.438 4.315 5 20 IIBD O=C(O[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1)c1csc(Nc2ccccn2)n1 787031432 OAJIKTXLYHRSNY-CQSZACIVSA-N 443.460 4.155 5 20 IIBD Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 787288913 QFHJPQGECCFVOL-UHFFFAOYSA-N 435.315 4.429 5 20 IIBD C[C@H](Nc1cc(NC(=O)CN2CCCC[C@@H]2C)ccc1F)c1ccc(N)c([N+](=O)[O-])c1 788713168 UWZFQTXSHOXXFG-GJZGRUSLSA-N 429.496 4.302 5 20 IIBD COC(=O)COc1ccc(CN2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] 789514193 PTKXVKNEPFHWHR-IFMALSPDSA-N 442.512 4.015 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])O[C@@H]([C@H]1CCCOC1)C(F)(F)F 789651170 QNWOPHKDIRAOQZ-BONVTDFDSA-N 444.328 4.316 5 20 IIBD CN(C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1=O 789703778 CECRRXUNGWARTL-JOCHJYFZSA-N 444.491 4.212 5 20 IIBD Cc1c(CN2CCSCC2)cccc1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790598878 QLXGUSYEPIWEEG-UHFFFAOYSA-N 437.924 4.426 5 20 IIBD CN(C(=O)COC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@H]1CCCc2ccccc21 790745877 LFSOHYAZILLAAK-SFHVURJKSA-N 434.851 4.009 5 20 IIBD O=C(NCC1CCC(F)(F)CC1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 790854736 VGKXPGHTYNNELR-UHFFFAOYSA-N 432.265 4.251 5 20 IIBD O=C(O[C@H]([C@@H]1CCCOC1)C(F)(F)F)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 791016610 KLMMVZUTOQEZOZ-NOZJJQNGSA-N 431.285 4.050 5 20 IIBD O=C(c1cccc([C@H]2CCOC2)c1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791171990 JYCBSTMDMZYOAV-HNNXBMFYSA-N 431.286 4.060 5 20 IIBD CCOC(=O)Nc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cc1 791431678 KYRQXPUWKQQWPV-UHFFFAOYSA-N 434.257 4.271 5 20 IIBD Cc1nc(C(C)C)oc1C(=O)O[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 796198361 DTDQCLIKUDVITB-LBPRGKRZSA-N 444.469 4.322 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1 797645682 UIHATUFCBPQPOU-LJQANCHMSA-N 440.500 4.382 5 20 IIBD COc1ccc(-c2nc(COC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)cs2)c(OC)c1 798133803 ACUFDQLQNWUHSP-YHYXMXQVSA-N 426.450 4.492 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl 800606497 VXFYFCLKGSPBEY-CYBMUJFWSA-N 426.231 4.091 5 20 IIBD CCCOc1ccc(NC(=O)C(=O)Nc2c(F)ccc([N+](=O)[O-])c2C)cc1OCCC 800626526 FCEOCZHUNNKNDJ-UHFFFAOYSA-N 433.436 4.197 5 20 IIBD CCn1c(COc2ccc(C)cc2)nn(CN(C)CCc2cccc([N+](=O)[O-])c2)c1=S 800865610 GRPVIMWHJQAZLN-UHFFFAOYSA-N 441.557 4.362 5 20 IIBD CCOc1ccc(N(C)C(=O)c2cc([N+](=O)[O-])cc(I)c2C)cc1 800899655 RSTVSPXDOLMYHW-UHFFFAOYSA-N 440.237 4.183 5 20 IIBD CC(C)(C)Sc1ccc(-c2noc(-c3cc([N+](=O)[O-])ccc3N3CCOCC3)n2)nc1 809446862 BAIXYHXDMIZOIK-UHFFFAOYSA-N 441.513 4.434 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H]1CCCN(Cc2ncccn2)C1 810744414 RIQYITMWJGCYEH-KRWDZBQOSA-N 430.530 4.098 5 20 IIBD CC(C)S(=O)(=O)c1ccccc1C(=O)OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811082730 HIKLXNAVMXSXAC-UHFFFAOYSA-N 432.281 4.441 5 20 IIBD O=C(CCCNC(=O)c1ccsc1)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811220184 XIXHXGIUSZWDOC-UHFFFAOYSA-N 431.495 4.033 5 20 IIBD O=C(COC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])Nc1ncc(Cl)cc1Cl 811376699 RKCGYSTWBSNVKC-UHFFFAOYSA-N 439.038 4.399 5 20 IIBD C[C@@H](Nc1ccc(-c2nc(CCC(C)(C)[N+](=O)[O-])no2)cc1[N+](=O)[O-])c1ccccn1 812815869 CVHLTOJGRXJFLY-CYBMUJFWSA-N 426.433 4.201 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](N[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC12CCC2 813880013 ZVQJRFPJKKXBJC-BZSNNMDCSA-N 433.553 4.187 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])cc2)c(C)c1[N+](=O)[O-] 817038538 RWCJUVVWHZURGE-UHFFFAOYSA-N 437.456 4.030 5 20 IIBD CCCS(=O)(=O)Nc1ccc(NCc2c(Br)cccc2[N+](=O)[O-])c(F)c1 864038463 QHBHGQVLKZXNQJ-UHFFFAOYSA-N 446.298 4.260 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2cccs2)c2ccc(F)cc2)c([N+](=O)[O-])c1 917755881 LDNRWOAGWZDNML-UHFFFAOYSA-N 437.430 4.099 5 20 IIBD Cc1c(C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 917782450 HOPKZNCQHUCHMN-UHFFFAOYSA-N 438.371 4.455 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)OCC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 918862093 XVCUYPJFTLMICW-INYRMVIESA-N 442.471 4.326 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N[C@H](c1ccccc1)C1CCCCC1 919220242 MQMMZRAQMTVMFV-OAQYLSRUSA-N 441.440 4.098 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 919220395 SQWAWDGIXOQVCE-IBGZPJMESA-N 439.355 4.179 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@@H](C)Sc1ccccc1Cl 919506322 CURGMYGXZAXLGP-NWDGAFQWSA-N 438.889 4.308 5 20 IIBD CC(C)N(Cc1cccc(Br)c1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 919953821 BPYXNRLPDKYALZ-UHFFFAOYSA-N 430.306 4.484 5 20 IIBD Cc1ccc(SCCC(=O)OCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1C 920148745 REQWEBAYXOVQMR-UHFFFAOYSA-N 436.917 4.320 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2ccc(Br)cc2Cl)cc([N+](=O)[O-])c1 920902873 HBMRDFVZVOXLMT-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD COc1ccc(COCc2cccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)cc1 921155584 XVKHISCYXDRSHI-UHFFFAOYSA-N 437.408 4.481 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 1115987897 BRNZRKCLALZVMH-UHFFFAOYSA-N 441.491 4.478 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@H](C)CC(=O)OC(C)(C)C)cc1[N+](=O)[O-])c1ccccn1 1116052138 SYHYMGJOCYVFNF-CABCVRRESA-N 428.489 4.013 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])OCc1ccc(C(=O)N2CCCC2)cc1 1116545552 LXCVCMMWJXQIKD-UHFFFAOYSA-N 434.901 4.320 5 20 IIBD Cc1c(-c2nnc(-c3cccc([N+](=O)[O-])c3)o2)c(=O)oc2ccc(Br)cc12 1345674206 QOECNDNDOKZDIC-UHFFFAOYSA-N 428.198 4.489 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(O)cc([N+](=O)[O-])c4)CCC3)cc2)cn1 1787303076 INOWUKCXQHRSQA-UHFFFAOYSA-N 446.463 4.065 5 20 IIBD Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CC2CCCC2)cc(Cl)cc1[N+](=O)[O-] 1795412073 DHSFPJZFKMZMTH-BCDXTJNWSA-N 433.936 4.389 5 20 IIBD Cc1csc(C(=O)N2CCCC3(CCN(C(=O)c4ccc([N+](=O)[O-])cc4F)CC3)C2)c1 1806242236 HXQPLWWVHGPXHG-UHFFFAOYSA-N 445.516 4.262 5 20 IIBD CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3cc(F)ccc3[N+](=O)[O-])CC2)CCC1 1832885569 QRZIYIVYJUROEH-HXUWFJFHSA-N 445.535 4.086 5 20 IIBD Cc1cc(C)c(C(=O)N2CCCC23CN(C(=O)c2c(F)ccc([N+](=O)[O-])c2C)C3)c(C)c1 1846795117 OKGDMTFNGHEKDY-UHFFFAOYSA-N 439.487 4.098 5 20 IIBD Cc1ccccc1NC(=O)Cc1nc(COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cs1 10760011 OCXZFUXGIDEOLJ-DHZHZOJOSA-N 437.477 4.298 5 20 IIBD Cc1ccc(-c2csc3ncn(CCC(=O)OCc4ccccc4[N+](=O)[O-])c(=O)c23)cc1 16168055 QEVNMZIURDKNQW-UHFFFAOYSA-N 449.488 4.475 5 20 IIBD C[C@@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1Cl 16927349 PYJPOWHKTOFECG-SECBINFHSA-N 427.638 4.195 5 20 IIBD O=C(Nc1cccc(C2SCCS2)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 17369011 GVRQMIHZWIUCGI-UHFFFAOYSA-N 431.539 4.162 5 20 IIBD COc1ccc([C@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)N2CCCC2)cc1 17911645 LZLMLWKGANNPFY-IBGZPJMESA-N 425.510 4.385 5 20 IIBD Cc1cc(C)c(-c2csc(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)n2)c(C)c1 22559723 AJRVNQYJSPFTHS-UHFFFAOYSA-N 434.481 4.477 5 20 IIBD Cc1ccc(C2=NN(C(=O)COc3ccc([N+](=O)[O-])cc3C=O)[C@@H](c3ccco3)C2)cc1 27390976 GZJJQXWRTCYAFF-HXUWFJFHSA-N 433.420 4.065 5 20 IIBD C[C@@H](OC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C(=O)N(C)c1ccccc1 28854479 GCKHKVUPNCMJNU-QGZVFWFLSA-N 433.464 4.415 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)cc1OC 30477518 ZQDZVHHSNGJLPK-GFCCVEGCSA-N 442.390 4.138 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCCN(C(C)C)C(C)C)cc1[N+](=O)[O-] 32245060 QVXGYLGQUYLCNG-UHFFFAOYSA-N 443.569 4.396 5 20 IIBD O=C(Nc1ccc(I)cc1)c1cc([N+](=O)[O-])ccc1Br 45625394 YQSVPPMVYBXCDG-UHFFFAOYSA-N 447.026 4.214 5 20 IIBD COc1ccc([C@H](C)NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc1Br 60498012 UYJNCWRQOGDEHI-LBPRGKRZSA-N 443.319 4.022 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)NC2(c3ccc(F)cc3)CCCC2)cc1[N+](=O)[O-] 64851141 CNXAOYSHLLYJEV-UHFFFAOYSA-N 441.488 4.213 5 20 IIBD COc1ccc(CSCC(=O)Nc2cc(C)nn2Cc2ccccc2)cc1[N+](=O)[O-] 105983459 VMAXTZYBRFCEPB-UHFFFAOYSA-N 426.498 4.029 5 20 IIBD CCc1nc2ccccc2n1C1CCN(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])CC1 301957323 MLZQZOSBYDQRHN-UHFFFAOYSA-N 435.528 4.487 5 20 IIBD COc1ccccc1C[C@@H](C)N(C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 426257614 QOMVUXSSUYJFSN-CYBMUJFWSA-N 425.407 4.395 5 20 IIBD O=C(c1ncccc1Cl)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 428180099 WPYJEJIJFCZZGW-UHFFFAOYSA-N 442.928 4.330 5 20 IIBD COc1cc(CN(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)ccc1SC 431467248 XGHKKZMUIFKJIF-UHFFFAOYSA-N 425.304 4.360 5 20 IIBD O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1O 436976295 BLSVHMCADZNDMU-INIZCTEOSA-N 438.267 4.241 5 20 IIBD COc1cc(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])cc1OC(F)F 437389323 XCEOYLKNBNHNMT-TVQRCGJNSA-N 430.766 4.283 5 20 IIBD COc1cc(C(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OC(F)F 438461312 NTWYZHFIXJDRDC-ZJUUUORDSA-N 426.338 4.303 5 20 IIBD COc1ccc(CN(C(=O)Cc2cccc([N+](=O)[O-])c2C)c2nccs2)c(OC)c1 438920140 LIZGZCHMOWLIPL-UHFFFAOYSA-N 427.482 4.153 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCC[C@]2(CCCc3ccccc32)C1 440005002 UILIYOSREQZWIL-RUZDIDTESA-N 449.507 4.180 5 20 IIBD O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cc1 443965147 MCRROXKIRJVIJE-OAHLLOKOSA-N 440.802 4.153 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1ccccc1N1CCc2ccccc21 444859420 LONCPQOPKFXSTM-UHFFFAOYSA-N 428.452 4.487 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)[C@H](OC1CCOCC1)c1ccccc1 444916153 AJTTUFKXVZPCED-VFNWGFHPSA-N 429.473 4.050 5 20 IIBD COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CCc1cccc([N+](=O)[O-])c1 445648721 OTYRIAVPRIEETK-UHFFFAOYSA-N 449.463 4.436 5 20 IIBD C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccc(OC(F)F)cc1 445688303 CVRWXZMUYTZKIQ-SNVBAGLBSA-N 429.217 4.379 5 20 IIBD COc1ccc(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])c(OC)c1OC 447667765 FRJRTYDDCGUZDG-UHFFFAOYSA-N 437.321 4.282 5 20 IIBD COc1ccc(CSCC(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc1[N+](=O)[O-] 447710731 RMFUSABDEKQMQZ-UHFFFAOYSA-N 446.500 4.097 5 20 IIBD CN1CCCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c2cc(Cl)ccc21 460321273 NFQWJGQQIZXIJJ-UHFFFAOYSA-N 428.920 4.338 5 20 IIBD O=C(N[C@@H]1c2ccccc2CC12CCOCC2)c1ccc([N+](=O)[O-])cc1Br 461023364 CKHSAIMSUAOWJQ-GOSISDBHSA-N 431.286 4.181 5 20 IIBD Cc1cccc(-c2nnc(N(C)CCc3cccc([N+](=O)[O-])c3)n2Cc2cccs2)n1 461525678 XJALJZWSQGFNCL-UHFFFAOYSA-N 434.525 4.345 5 20 IIBD Cc1cc(=O)c(C(=O)N(c2ccccc2F)C2CCCC2)nn1-c1ccccc1[N+](=O)[O-] 461531142 IGGBGCRJCUGNDY-UHFFFAOYSA-N 436.443 4.178 5 20 IIBD CN(C)c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 463521665 VGICIAWZUGJXEP-UHFFFAOYSA-N 440.403 4.029 5 20 IIBD Cc1ccc(CCN(CC(F)(F)F)C(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cc1 463930608 LSCZSYZBKZNKKT-UHFFFAOYSA-N 433.386 4.404 5 20 IIBD O=C(c1csc(Cc2ccc(F)cc2)n1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464667113 UZZBONFAYMCYBA-UHFFFAOYSA-N 441.484 4.465 5 20 IIBD CN(Cc1ccccc1)c1ccccc1NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 465167662 ICWJVEXIDCMMIV-UHFFFAOYSA-N 433.464 4.184 5 20 IIBD COc1ccc(CNC[C@@]2(C)CCO[C@H]2C2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 466452600 QCUQTLUVTPLGPJ-BJKOFHAPSA-N 426.513 4.477 5 20 IIBD Cc1sc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])nc1-c1ccc2c(c1)CCC(=O)N2 467762355 AOBSBFFOYTYIHM-UHFFFAOYSA-N 440.485 4.010 5 20 IIBD CCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 470881049 BBHCDRCBRBVJPD-QGZVFWFLSA-N 435.480 4.042 5 20 IIBD COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)c1 475311402 UIPBRZCVVIWHOH-UHFFFAOYSA-N 443.463 4.471 5 20 IIBD C[C@H](CN1CCCCCC1)NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 479815962 RDNIMURAHSJZKN-QZTJIDSGSA-N 425.533 4.157 5 20 IIBD O=C(c1ccn(-c2ccc(Br)cc2)n1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 481541478 FMFRJPKHKMCGMU-UHFFFAOYSA-N 441.285 4.348 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCN(Cc2ccccc2Cl)CC1 481930521 FTFFFRLNFUASRF-UHFFFAOYSA-N 442.928 4.330 5 20 IIBD Cc1nc(-c2ccc(C)c(NC(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)n[nH]1 482815108 MLGMEYKGYUARCR-UHFFFAOYSA-N 448.405 4.456 5 20 IIBD O=C(NCc1ccccc1N1CCCCC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 482911067 LYPYOVZMFQVOCF-UHFFFAOYSA-N 437.418 4.456 5 20 IIBD COc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2Nc2cccc(C(F)(F)F)c2)nn1C 483928283 MKUHTCQBQVYAGB-UHFFFAOYSA-N 435.362 4.352 5 20 IIBD COC(=O)c1c(CC(C)C)csc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 485350761 OSUAJCQEDJDUIK-UHFFFAOYSA-N 428.470 4.079 5 20 IIBD Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)C2)c1 486136401 STMGHTXQOIYDBH-FQEVSTJZSA-N 435.524 4.255 5 20 IIBD CC(C)OC(=O)C[C@H]1CCCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 486592761 VWNXNTNEUHETFU-LJQANCHMSA-N 440.496 4.368 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)cc1[N+](=O)[O-] 488070495 PJUHZRLZBXCSKC-MPBGBICISA-N 431.901 4.363 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCC[C@H](c2ccccc2)C(F)(F)F)cc1OC 490988156 KNCDNKJQVHNELH-OAHLLOKOSA-N 426.391 4.468 5 20 IIBD CC(=O)N(C)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CC1 491943730 XAWLWZJKVCJISW-UHFFFAOYSA-N 447.944 4.482 5 20 IIBD COc1cc(CN[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC(F)F 494497918 YEOKCECJDRQEKC-KDOFPFPSSA-N 428.819 4.478 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H](c1cccc(F)c1)c1ccccn1 498887454 OTMAJKDQTUFONT-NRFANRHFSA-N 429.835 4.457 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2CN(Cc3ccccc3)CCO2)no1 500793768 NUZCDVZQHRKVOB-KXBFYZLASA-N 426.498 4.405 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)c1ccc2c(c1)CC(=O)N2 501035153 ISQNRQXPNVFTJE-HNNXBMFYSA-N 430.464 4.193 5 20 IIBD CCOc1ccc([C@@H](C)NCc2csc(CNC(=O)c3ccccc3)n2)cc1[N+](=O)[O-] 504911955 ODGKPFDXWXKRPP-OAHLLOKOSA-N 440.525 4.231 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)Nc1cccc(N2CCCC2)c1)c1ccccc1[N+](=O)[O-] 505655191 BXEFUHJGKUQMBH-FQEVSTJZSA-N 440.500 4.400 5 20 IIBD COC(=O)C1(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CCCCCC1 506134883 FGJMGYBJPFIKGU-INIZCTEOSA-N 440.500 4.159 5 20 IIBD CCOC(=O)c1c(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)sc2ccccc12 506774125 BIZWZAFUJKWVOF-UHFFFAOYSA-N 428.422 4.025 5 20 IIBD CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2cc(CC)nc(-c3ccc([N+](=O)[O-])cc3)n2)C1 506980308 WQQJSPSDNUAIJT-AEFFLSMTSA-N 425.533 4.135 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN2CCN(c3cnccn3)CC2)cc1 507434339 QPTOLJVGPUYFBG-UHFFFAOYSA-N 425.876 4.153 5 20 IIBD C[C@@H](CNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])c1nncn1C 507571806 BIKGHLQFWMLFCY-LBPRGKRZSA-N 431.905 4.061 5 20 IIBD Cc1ccc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2I)cc1 509443368 ZPWPJXWWLJLWKL-QGZVFWFLSA-N 436.249 4.485 5 20 IIBD COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])c(O)c1)CC2 509825642 LIASLHHIZOJBQB-QHCPKHFHSA-N 434.448 4.106 5 20 IIBD CCN(C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)[C@@H](C)CO 513326685 VKONCPVDNRCICN-YSKWHIJTSA-N 425.510 4.365 5 20 IIBD Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 513725198 OSTCWVXVIIGCAR-UHFFFAOYSA-N 425.819 4.120 5 20 IIBD CNC(=O)CC[C@H]1CCCCN1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 514972605 LQRMECIOLBGFRR-OAQYLSRUSA-N 447.539 4.328 5 20 IIBD O=[N+]([O-])c1c[nH]c2ccc(Br)cc2c1=NCc1ccc(N2CCCCC2)nc1 515495657 JRELJWFGQNSIBU-UHFFFAOYSA-N 442.317 4.325 5 20 IIBD COc1cccc([C@@H](C)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])c1 515555291 ZEZIIFZDDQVGSQ-MRXNPFEDSA-N 433.530 4.341 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(NCCc2nc(C(C)(C)C)cs2)c([N+](=O)[O-])c1 517874504 ZPRUCERECAWHCE-UHFFFAOYSA-N 440.591 4.034 5 20 IIBD O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCC(c2nncn2C2CC2)CC1 518943064 PJLJZUBMLPXDIS-UHFFFAOYSA-N 446.511 4.153 5 20 IIBD CS(=O)(=O)c1cc(C(=O)Nc2cccc(COC3CCCCC3)c2)cc([N+](=O)[O-])c1 521376157 HRLNGGIAEIVWGU-UHFFFAOYSA-N 432.498 4.100 5 20 IIBD CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 522260204 RXYDFIMPSBPUMK-UHFFFAOYSA-N 437.452 4.464 5 20 IIBD C[C@H]1CN(Cc2ccccc2NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 522641499 LPIBMVLHOBTTKE-HOTGVXAUSA-N 447.919 4.265 5 20 IIBD CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)cc21 522742835 ORLKPPJVELLWAC-UHFFFAOYSA-N 431.876 4.201 5 20 IIBD O=C(Nc1ccc(C2CC2)nn1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 523844858 XSJPXQNXNNWXJR-UHFFFAOYSA-N 435.406 4.136 5 20 IIBD O=C(Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1)c1cc2ccccc2c2cccnc12 524839603 UVHJLPQJWIHMMZ-UHFFFAOYSA-N 435.480 4.220 5 20 IIBD COc1cccc(CC(=O)N2CCc3ccc(NC(=O)c4cc(C)ccc4[N+](=O)[O-])cc32)c1 525657583 GDZDKTPQAGCJMK-UHFFFAOYSA-N 445.475 4.296 5 20 IIBD COc1ccc(CC(=O)N2CCCC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)cc1[N+](=O)[O-] 530405994 SRANLHYQBAJXLJ-LJQANCHMSA-N 438.459 4.429 5 20 IIBD CCS(=O)(=O)c1ccc(N2CCC(N[C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)cc1 531694386 BUKGTUNFWCRNMG-QGZVFWFLSA-N 431.558 4.016 5 20 IIBD COC(=O)CCc1csc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n1 532017277 QKAQHEYWPYZUDW-UHFFFAOYSA-N 440.481 4.021 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C(F)(F)F 533245450 NQYDTNFWKATYCN-HXUWFJFHSA-N 432.402 4.360 5 20 IIBD CC(C)NC1CCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 533375069 XLZYGCQWPJBBAK-NRFANRHFSA-N 430.936 4.390 5 20 IIBD Cc1ccc(Cl)cc1NC(=O)C[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534796783 UJVARAIHSBCFOT-GDLZYMKVSA-N 433.873 4.099 5 20 IIBD O=C(COc1cccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1)Nc1ccccc1 535348078 AYZWLYBUJVQMDU-UHFFFAOYSA-N 444.447 4.275 5 20 IIBD O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCc2ccccc2[C@@H]1Cc1ccccc1 536079775 DNWCEMIZGVNSFJ-QHCPKHFHSA-N 439.475 4.158 5 20 IIBD O=C(Nc1ccc(CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])cc1)c1ccco1 538347333 IIOFMQZOEYGHNK-UHFFFAOYSA-N 442.431 4.432 5 20 IIBD O=C(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)Nc1cc(C2CC2)nn1-c1ccccc1 538660317 MZBJNLDXJHBRNV-UHFFFAOYSA-N 428.452 4.160 5 20 IIBD NC(=O)c1ccc(SCC(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)c([N+](=O)[O-])c1 540102842 ISAQMVRRJUXSMW-UHFFFAOYSA-N 449.488 4.026 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N[C@H](CCO)c2ccccc2Br)cc1[N+](=O)[O-] 541038073 PRONFHKCOOUXDM-CXAGYDPISA-N 436.306 4.150 5 20 IIBD O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1O)c1ccc(S(=O)(=O)c2ccccc2)s1 541824289 RPFSTBACTSYASP-UHFFFAOYSA-N 438.870 4.100 5 20 IIBD O=C(NCCc1c[nH]c2ccc(Br)cc12)c1ccc([N+](=O)[O-])c2cccnc12 542426502 GJZYTLIUVGJZHL-UHFFFAOYSA-N 439.269 4.359 5 20 IIBD O=C(NCc1cccc(NC(=O)c2cccc(F)c2)c1)Nc1ccc([N+](=O)[O-])cc1F 542720119 UEXANSJIWYEDAC-UHFFFAOYSA-N 426.379 4.447 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)N1CCCCC1 544523128 TWVJBOOXZJKDIZ-IIBYNOLFSA-N 429.492 4.189 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 544750316 SCSQWKNGAHKZEF-QBHLMBNYSA-N 434.517 4.312 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N[C@@H](c2ccc(Cl)cc2)c2ccn(C)n2)cc1[N+](=O)[O-] 545160648 WVADUZJFAOPKBN-VLIAUNLRSA-N 427.892 4.440 5 20 IIBD CN(CCN1CCCC1=O)C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 545939410 FJEMWNBBBZMUHE-UHFFFAOYSA-N 433.917 4.094 5 20 IIBD O=[N+]([O-])c1ccc(Cc2nc(Cc3nc(O)c4c(C5CC5)csc4n3)no2)c(Cl)c1 546277252 VFAHBOOQUBHFDC-UHFFFAOYSA-N 443.872 4.401 5 20 IIBD O=C1CCCN1Cc1ccccc1-c1noc(-c2ccc(OC(F)F)c([N+](=O)[O-])c2)n1 546278435 RTSTYXHJVHOCRJ-UHFFFAOYSA-N 430.367 4.036 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3cc(-c4ccccn4)no3)n2)c(Br)c1 546447309 BGJKPSJPNOMOAY-UHFFFAOYSA-N 428.202 4.048 5 20 IIBD COCCN([C@@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 546879184 LIRAXMRQOSKGMQ-ZDUSSCGKSA-N 432.420 4.012 5 20 IIBD COc1ccccc1-c1ccc(CN2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 552415131 TWFBMWLEAWLXBO-UHFFFAOYSA-N 431.492 4.228 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(NCC2(C(=O)Nc3ccc(C)c(C)c3)CCCC2)n1 553152252 HQILGKYZOLBRPB-UHFFFAOYSA-N 426.473 4.004 5 20 IIBD CS(=O)(=O)c1cc(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)cc(C(F)(F)F)c1 553591375 XTOTVBYYYOGUQY-UHFFFAOYSA-N 440.346 4.231 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCc3noc(-c4cccs4)n3)cc2[N+](=O)[O-])C1 553596121 UXIDQTHPZVIVHW-KBPBESRZSA-N 441.513 4.119 5 20 IIBD C/C=C\c1ccc(OC[C@H](O)COc2c(Br)cccc2[N+](=O)[O-])c(OC)c1 564579218 HYTUJCODJXMKQC-MFBWXBCUSA-N 438.274 4.218 5 20 IIBD COCC1(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CCCCC1 572590538 AABQLFUTYZJHNZ-QGZVFWFLSA-N 426.517 4.490 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](NC[C@H]1CCCOC1)c1ccccc1 579622587 VUQGQQMTGMAGLX-KUHUBIRLSA-N 448.317 4.053 5 20 IIBD O=C(NCCc1c[nH]c2cccc(Br)c12)c1ccc([N+](=O)[O-])c2cccnc12 582756808 IKIHTCJVTFNNBB-UHFFFAOYSA-N 439.269 4.359 5 20 IIBD O=[N+]([O-])c1cc(CN[C@H](C2CC2)C2(CO)CCOCC2)ccc1Oc1ccc(F)cc1 584426455 AAUMKBCDWKCPGK-JOCHJYFZSA-N 430.476 4.184 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)NCc2ccccc2OC2CCC2)cc1[N+](=O)[O-] 585758078 IONPXYXLFDAPCI-UHFFFAOYSA-N 425.485 4.079 5 20 IIBD Cc1cc(=O)c(C(=O)N2C[C@@H](C)CC[C@H]2c2ccccc2)nn1-c1ccccc1[N+](=O)[O-] 587989122 MCNRUEPWVFQADA-LPHOPBHVSA-N 432.480 4.063 5 20 IIBD COc1cc(CN2CCC[C@H](C[C@H]3CCOC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F 589199769 GSUFYBJUSKHWJU-HUUCEWRRSA-N 432.439 4.183 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1ccc(N2CCCC2=O)cc1 589251404 OYEPRBYQGAETSF-UHFFFAOYSA-N 429.432 4.205 5 20 IIBD CCOc1cc(NC(=O)N(CC)Cc2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1OCC 603651239 CCYFGFNHOHVHQH-UHFFFAOYSA-N 431.445 4.175 5 20 IIBD CCC(CC)C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 603737400 FQKBMXYDRGHIKJ-UHFFFAOYSA-N 425.485 4.108 5 20 IIBD CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 603966495 APLXSRDIKSTLOK-MRFPIMAXSA-N 427.545 4.129 5 20 IIBD COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)NCc2cccc([N+](=O)[O-])c2)cc1 604470696 YCYBEDCTQATDBA-UHFFFAOYSA-N 442.475 4.315 5 20 IIBD CCOc1cc(Br)c(NC(=O)NCc2cccc([N+](=O)[O-])c2)cc1OCC 604475439 ZJXAVLVISGOEPT-UHFFFAOYSA-N 438.278 4.476 5 20 IIBD Cc1ccc(COc2ccc(C[C@@H](C)NC(=O)CCn3cc([N+](=O)[O-])nc3C)cc2)cc1 608899672 CDBBHWOCOMXGHS-GOSISDBHSA-N 436.512 4.125 5 20 IIBD CN(Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C1CCCCC1 608958780 JQZKSALADMKTFV-UHFFFAOYSA-N 439.512 4.061 5 20 IIBD COc1ccc(CC(=O)NCc2cccc(NC(=O)Nc3cccc(C)c3)c2)cc1[N+](=O)[O-] 609011024 SBQWCVPPWUDJGI-UHFFFAOYSA-N 448.479 4.415 5 20 IIBD CCOc1ccc(OC)cc1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 609221561 LLMODEGIBUKSLL-LLVKDONJSA-N 427.379 4.460 5 20 IIBD Cc1ccccc1Oc1ccccc1CNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 609307358 IYKMJUJDVFPERU-KRWDZBQOSA-N 433.464 4.130 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1c(C)cnn1[C@H]1CCCc2ccccc21 609321920 PUZVJRYSJOUCTH-SFHVURJKSA-N 426.498 4.135 5 20 IIBD O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 609448594 NLXJKRVRFNBLDI-OAQYLSRUSA-N 439.516 4.252 5 20 IIBD CC[C@@H](c1ccccc1)N(CC(C)C)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 609509644 HYNNPHGLYWVUDY-SFHVURJKSA-N 429.542 4.422 5 20 IIBD CO[C@H]1CCCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 611948131 XWIQVWMYMRKTMD-QFIPXVFZSA-N 434.496 4.018 5 20 IIBD O=C(c1ccc(O)cc1)C1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 672871367 LQGUSXPEYCCSGT-UHFFFAOYSA-N 426.472 4.122 5 20 IIBD Cc1ccc(NC(=O)Cc2nc(COC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])cs2)cc1 725934600 FOQKXYBBBUEFTB-UHFFFAOYSA-N 447.419 4.176 5 20 IIBD O=C(Cc1ccccc1O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 725940052 YWZMINZSWAPOBD-NRFANRHFSA-N 440.839 4.420 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)OCCCOc2ccc(Cl)cc2)ccc1[N+](=O)[O-] 726674185 JWNVNYVVAAMRJF-FQEVSTJZSA-N 446.887 4.174 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3cc(Cl)ccc3s2)cc1Br 727245615 BTWCXXAZBRTQAT-UHFFFAOYSA-N 448.707 4.421 5 20 IIBD Cc1nnc(S[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)n1CCc1cccs1 727654546 USTPSDJWDYMJCW-LLVKDONJSA-N 435.506 4.057 5 20 IIBD Cc1ccc(OS(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)c([N+](=O)[O-])c1 727834531 MYHUVXALTWTYQT-UHFFFAOYSA-N 437.367 4.088 5 20 IIBD O=C(Nc1cccc(-c2ccc3c(c2)CCO3)n1)c1cc([N+](=O)[O-])ccc1N1CCCC1 731019227 JVIMQHCNUFRUNW-UHFFFAOYSA-N 430.464 4.444 5 20 IIBD CCN1C(=S)N[C@H](c2csc(C3CC3)n2)C(C(=O)Nc2cccc([N+](=O)[O-])c2)=C1C 731421668 RCXSZKIPNFBASR-QGZVFWFLSA-N 443.554 4.093 5 20 IIBD COC(=O)c1sc(-c2ccccc2)cc1OS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 731674073 XKHCOQZJANQSDJ-UHFFFAOYSA-N 433.463 4.019 5 20 IIBD NC(=O)c1ccc(COC(=O)c2ccc(Oc3ccc(F)c(F)c3)cc2)c([N+](=O)[O-])c1 732854429 OQQXSYWXRBFHNR-UHFFFAOYSA-N 428.347 4.121 5 20 IIBD CN1C(=O)CC[C@@H](C(=O)OCc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(C(F)(F)F)cc1 734388887 KOJLWNSSTMNLOX-IEBWSBKVSA-N 436.386 4.267 5 20 IIBD COC(=O)c1cc(NC(=O)COc2ccc(C3SCCCS3)cc2)cc([N+](=O)[O-])c1 736194827 FKWYXWRRYNVMQI-UHFFFAOYSA-N 448.522 4.268 5 20 IIBD O=C(COC(=O)c1coc(-c2ccccc2)n1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 738844803 CXRLWCGIIAPPMY-UHFFFAOYSA-N 435.314 4.064 5 20 IIBD CCN(C)C[C@@H]1CCN([C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C1 744423292 CMKHAXOESIMLPS-HRAATJIYSA-N 430.936 4.202 5 20 IIBD CC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)c1nc(C(F)(F)F)cs1 744721372 CMYHBLSACRZJMY-SNVBAGLBSA-N 432.380 4.476 5 20 IIBD CC(C)[C@@H](NC(=O)COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(F)cc1 745567860 GLAHTWVALJIMMF-GOSISDBHSA-N 442.365 4.423 5 20 IIBD Cc1ccc([C@@H](NC(=O)COC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C2CC2)cc1 745568367 MFANDGIVSKSYLO-LJQANCHMSA-N 436.386 4.346 5 20 IIBD Cc1ccccc1CN(C1CC1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 746177379 CORBNTHSTOABCN-UHFFFAOYSA-N 425.304 4.019 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 746264978 QCGUJTVORMPWIJ-BOFPYLFWSA-N 436.867 4.269 5 20 IIBD Cn1nc2c(cc1=O)CN(C(=O)CCC(=O)c1ccc3ccc4cccc5ccc1c3c45)CC2 746332417 NKMPXDCUUBAXNN-UHFFFAOYSA-N 449.510 4.226 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)NC12CC3CC(CC(C3)C1)C2 747125453 LJYIIJXIXMDACM-JIEKGTPASA-N 440.418 4.244 5 20 IIBD CCOC(=O)N1CCCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 748233046 RXAIQAQCFCWOFI-UHFFFAOYSA-N 443.525 4.359 5 20 IIBD CCCNC(=O)COC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 748579002 FITIJJXXOKKDRM-FOWTUZBSSA-N 439.493 4.205 5 20 IIBD O=C(O[C@H]1CCN(c2cccc(Cl)c2)C1=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 750341022 RRHKJOFJIQCUHI-KRWDZBQOSA-N 443.868 4.334 5 20 IIBD O=C(NCc1cccc2c1OCCCO2)c1cc(Br)cc([N+](=O)[O-])c1Cl 750922685 KNVMVUSQCQHOCY-UHFFFAOYSA-N 441.665 4.102 5 20 IIBD CCNc1ccc(C(=O)N(C2CC2)C2CCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] 751101986 CCCOKUTZPCNEAT-UHFFFAOYSA-N 432.521 4.031 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCCc2cc(Br)ccc21 751273398 UQISFWFCDZLSRS-UHFFFAOYSA-N 431.695 4.152 5 20 IIBD Cc1cc(Sc2ncccn2)ccc1NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] 751282547 NGXIKLRHMZCLQG-UHFFFAOYSA-N 436.902 4.299 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[C@]2(CCc3ccccc3O2)C1 753088948 STZYVGYGYIWZDR-LJQANCHMSA-N 435.249 4.106 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1OC 755865709 BCWICSHWYGDDMP-SJLPKXTDSA-N 428.485 4.070 5 20 IIBD CC1([C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)C2)OCCO1 756210999 FSVFDOOALNHTDD-KRWDZBQOSA-N 434.558 4.492 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC(Oc2cccc(Br)c2)CC1 759287528 NZAKLNYHNRFXLH-RMKNXTFCSA-N 431.286 4.441 5 20 IIBD O=C(CCc1ncc(-c2ccccc2F)o1)O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 759950575 SMDXARLKHOIZTF-IAGOWNOFSA-N 428.420 4.245 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)c1F 760362445 HDWRGITUOVCBOU-UHFFFAOYSA-N 425.438 4.190 5 20 IIBD CC[C@@H](OC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1ccc(Br)cc1 761113072 BHSVALMZONKIKR-MRXNPFEDSA-N 442.287 4.069 5 20 IIBD CCCOc1ccc(-c2noc(CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)cc1OC 761386032 GYUYAPSUFZOYIB-UHFFFAOYSA-N 428.401 4.136 5 20 IIBD Cc1nn(CCc2nc(-c3ccc(-n4cnc5ccccc54)cc3)no2)c(C)c1[N+](=O)[O-] 761863225 IGZLJJNWPDLKLW-UHFFFAOYSA-N 429.440 4.040 5 20 IIBD O=[N+]([O-])c1ccc(I)c(-c2nc(C3Cc4ccccc4C3)no2)c1 761967334 ZATYKUAZCMGRRC-UHFFFAOYSA-N 433.205 4.132 5 20 IIBD O=C1OCCN1c1cccc(-c2noc(-c3ccc([N+](=O)[O-])cc3Br)n2)c1 762198090 BSPKPBVQQRAAQK-UHFFFAOYSA-N 431.202 4.031 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC1CCN(Cc2ccc(Br)cc2)CC1 762205337 WTSBSQYBYMDLSI-BJMVGYQFSA-N 444.329 4.151 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1 763368241 SCKDSQRDPKPSAW-UHFFFAOYSA-N 430.379 4.231 5 20 IIBD O=C(Nc1ccc(C(=O)NCc2ccccn2)c(Cl)c1)c1cc(F)c([N+](=O)[O-])cc1F 763412431 PZVVERKBFDXDJY-UHFFFAOYSA-N 446.797 4.104 5 20 IIBD CCCC(=O)Nc1ccc(Cl)c(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 763994451 WHYFWZIYSSHJGB-UHFFFAOYSA-N 445.907 4.341 5 20 IIBD Cc1nn(CCC(=O)N(c2ccc(N(C)C)cc2)[C@H](C)c2ccccn2)c(C)c1[N+](=O)[O-] 766587711 KKQHHZGDCKIDDH-QGZVFWFLSA-N 436.516 4.054 5 20 IIBD Cc1nc(-c2ccc(S(=O)(=O)Oc3c(Br)cccc3[N+](=O)[O-])cc2)co1 769924962 DETBDGVDYWMYIR-UHFFFAOYSA-N 439.243 4.088 5 20 IIBD CN1CCC(N(C)c2ccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)cc2)CC1 770155228 SMSSRJBKWZPQAY-UHFFFAOYSA-N 447.333 4.140 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c32)c1C 773018819 BVZSPXHKYAVFTF-UHFFFAOYSA-N 447.513 4.310 5 20 IIBD C[C@H]1C[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C 773794611 WAHHKZVMMAHHIM-JSGCOSHPSA-N 443.953 4.245 5 20 IIBD C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCN1C(=O)OC(C)(C)C 773799440 SKBVEYUUFJGXLL-SMDDNHRTSA-N 431.411 4.131 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c([N+](=O)[O-])c1 774867752 BENQIIHGAMHPGS-HNNXBMFYSA-N 427.392 4.072 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H]2CC(=O)c2cccs2)cc1[N+](=O)[O-] 778043364 ZLLGMKQGMYUVHA-GFCCVEGCSA-N 428.919 4.044 5 20 IIBD Cc1c(C(=O)N[C@H](CCc2ccccc2)C(F)(F)F)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 778215396 NLRRSJFWCZGDLS-MRXNPFEDSA-N 425.363 4.413 5 20 IIBD O=C(O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 778789136 UHQZPZHVIBOILL-KRWDZBQOSA-N 440.437 4.062 5 20 IIBD COc1cc(O)cc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 781024428 LDTXXNSSHLMKNU-UHFFFAOYSA-N 441.827 4.467 5 20 IIBD C[C@H]1CCCCN1Cc1ccc(CNC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 781600591 BDIURTXEXYRDMK-KRWDZBQOSA-N 440.500 4.126 5 20 IIBD CC1(NC(=O)OC(C)(C)C)CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 781767635 QPYGHKZGVKWODZ-UHFFFAOYSA-N 443.953 4.246 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N(Cc1ccccc1)C[C@@H](O)c1cccs1 782076014 XWMACRQVHYOGRQ-GOSISDBHSA-N 427.482 4.433 5 20 IIBD Cc1c(C(=O)O[C@@H](C)c2nnc(-c3ccc(F)cc3)o2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 783321320 GDXJCTGVJIAJHF-NSHDSACASA-N 430.348 4.227 5 20 IIBD C[C@@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)c1ccccc1Br 785950046 RFUATVQBDYPRLA-SNVBAGLBSA-N 426.650 4.368 5 20 IIBD CCc1nc([C@H](C)NC(=O)Nc2ccc([N+](=O)[O-])c(I)c2)cs1 787808445 GHTNIWLQRQPXTO-QMMMGPOBSA-N 446.270 4.101 5 20 IIBD Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)Sc1nc2ccc([N+](=O)[O-])cc2s1 788013367 QSNIOTQZSMMCLH-ZDUSSCGKSA-N 444.538 4.057 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)[C@H]2CCC(=O)c3cccn32)c2ccccc2)c([N+](=O)[O-])c1 789236869 ISNZNWYYSFCYKT-DENIHFKCSA-N 447.447 4.146 5 20 IIBD O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1CC[C@@H](Sc2cccc(Cl)c2)C1 793788702 GCFBWNHSBQGRTJ-LJQANCHMSA-N 442.928 4.296 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@H](C)c2ccc(Br)cn2)CC1 794168653 FVKJJDAGKUFLIK-CQSZACIVSA-N 447.333 4.480 5 20 IIBD C[C@H](C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1OCCc2sccc21 796486057 DUNZJSUENCMSJO-QFYYESIMSA-N 426.288 4.412 5 20 IIBD Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H](C)c1ccccc1F 799764046 SMEUEHMQFLGMEB-LLVKDONJSA-N 431.283 4.187 5 20 IIBD Cc1ccc(CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)c2ccc3c(c2)OCCO3)s1 801886480 DEXDTMCPIWNKRN-UHFFFAOYSA-N 443.456 4.304 5 20 IIBD C[C@](O)(CSc1cccc(F)c1)C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1 803802633 PQNBLKPKOJLFQD-KRWDZBQOSA-N 444.278 4.083 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1nc2c(C)ccc(Cl)c2s1 804922058 LLVYMAIUSACMID-UHFFFAOYSA-N 435.845 4.005 5 20 IIBD O=C(NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1)Nc1cccc([N+](=O)[O-])c1Cl 809920173 UEMYSTCZBIFWJL-GFCCVEGCSA-N 447.797 4.120 5 20 IIBD COc1cc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)c([N+](=O)[O-])cc1OC 813786024 JNCWKSPIUVTLAT-MRXNPFEDSA-N 435.521 4.024 5 20 IIBD CC(C)(CCCNC(=O)OC(C)(C)C)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 817209967 CWTYGBPYFBBGEC-UHFFFAOYSA-N 437.540 4.495 5 20 IIBD CCOc1ccc(C(=O)OCCCc2nc(-c3ccc(C)c(F)c3)no2)cc1[N+](=O)[O-] 913267225 ZBKJRUXDGWVMMO-UHFFFAOYSA-N 429.404 4.281 5 20 IIBD Cc1c(C(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 915181309 RBLUZIIYCMNMNO-OKILXGFUSA-N 440.456 4.182 5 20 IIBD C[C@@H](CCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)CC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 915827671 DXDXLALIMDXAQF-NSHDSACASA-N 436.371 4.165 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)CCCOc2cccc3ccccc23)cc([N+](=O)[O-])c1C 916776191 SXOVNHTVDLXCDM-UHFFFAOYSA-N 442.493 4.029 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1Nc1ccccc1 917723761 MEECLOOHHUTBNQ-UHFFFAOYSA-N 444.425 4.056 5 20 IIBD CCc1ccc([C@H](NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2F)c2cccs2)cc1 919251289 VAARGYNJLWXIAD-NRFANRHFSA-N 442.468 4.420 5 20 IIBD C[C@@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 919516606 SEGLEGJLAHGTHN-CYBMUJFWSA-N 437.452 4.489 5 20 IIBD CCc1cc(C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)nn1C 1116523701 HNCOOEFDQBLXNV-LJQANCHMSA-N 442.859 4.081 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(-c3nnc(CNC(=O)c4cccs4)o3)cc2[N+](=O)[O-])C1 1328415495 TXSINEFXNGTZAS-ZIAGYGMSSA-N 441.513 4.119 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Br)[C@@H](O)Cc1cccc(C(F)(F)F)c1 1338735207 ILGBZLVTSJMXBB-HNNXBMFYSA-N 448.191 4.023 5 20 IIBD O=[N+]([O-])c1ccccc1CN(c1nnc(C2CCCCC2)n1C[C@H]1CCOC1)C1CC1 1348720682 MINIGJDXQYGSMW-QGZVFWFLSA-N 425.533 4.440 5 20 IIBD CC(C)(C)OCC(=O)Nc1ccc(C2(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)CCC2)cc1 1786636814 XKSXXAYJVHUJMP-UHFFFAOYSA-N 443.475 4.297 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)Cc4ccccc4)cc3)CCC2)ncc1[N+](=O)[O-] 1787742425 ANGFIYDRNQLIJM-UHFFFAOYSA-N 444.491 4.289 5 20 IIBD Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2CC(C)(C)C2)C3)cc(Cl)cc1[N+](=O)[O-] 1800713008 RSOUBSJZJACICG-BJWYYQGGSA-N 433.936 4.245 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCCC2(CCN(C(=O)C3CC4(CCC4)C3)CC2)C1 1805685596 KPSSCKINQHKGRH-HWKANZROSA-N 441.528 4.013 5 20 IIBD CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(F)c3[N+](=O)[O-])[nH]n2)CCCC1 1814531385 MEXMVABLLMSHKV-QGZVFWFLSA-N 443.479 4.343 5 20 IIBD CC1(C)CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])cc3F)[nH]n2)C1 1822476174 ZLYMGELXPOEUIR-GOSISDBHSA-N 443.479 4.199 5 20 IIBD CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)CCCC1 1823848340 RWSYNGJOTATEGV-OAQYLSRUSA-N 443.544 4.114 5 20 IIBD O=C(CC1CCC1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830615920 APFOJLFHIPFWLA-NRFANRHFSA-N 431.508 4.157 5 20 IIBD CC(C)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1831381619 GMEXGEXWEZZJSB-OAQYLSRUSA-N 433.524 4.403 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC([C@@H]2CCCCN2C(=O)C2CC2)CC1 1832527979 NIOUIRLRJUGDQE-IBGZPJMESA-N 441.553 4.453 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1 3295514 YGKKLHGAAHUQAI-UHFFFAOYSA-N 429.420 4.405 5 20 IIBD CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1[N+](=O)[O-] 9904243 NOZQMKODHUMVOG-UHFFFAOYSA-N 441.465 4.047 5 20 IIBD O=[N+]([O-])c1cc2c(c(CSc3nnc(-c4ccncc4)n3-c3ccccc3)c1)OCOC2 16208261 UGUKJQHQCZAQIT-UHFFFAOYSA-N 447.476 4.396 5 20 IIBD CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)ccc21 16811005 DWUGYONGGNIHNJ-LBPRGKRZSA-N 438.461 4.147 5 20 IIBD O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)CC3 20987651 JUSPEEHPLLKEDD-SDNWHVSQSA-N 429.388 4.207 5 20 IIBD CC(=O)Nc1ccc(C(=O)[C@H](C)Sc2nc3cc4ccccc4cc3c(=O)n2C)cc1 22254574 HCKRTCMGINYPJB-AWEZNQCLSA-N 431.517 4.409 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccc(COc2ccc(F)cc2)o1 25019215 GOZYRGTXQKMZQT-UHFFFAOYSA-N 428.372 4.010 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)NC2CCC(c3ccccc3)CC2)cc1[N+](=O)[O-] 25097868 IGXWUBOTVUDSMD-UHFFFAOYSA-N 437.525 4.331 5 20 IIBD Cc1ccc(Cc2cnc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)s2)cc1F 29879008 BSNROBLZFMGEAE-UHFFFAOYSA-N 429.429 4.113 5 20 IIBD COc1ccc(-c2nnc(SCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)o2)cc1OC 68683045 IQMWWIPXCQCZTK-UHFFFAOYSA-N 441.425 4.004 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCN(c2cccc(Cl)c2)CC1 71942867 ZTHMKQCLLASTNP-UHFFFAOYSA-N 426.807 4.204 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])Nc1nc2c(s1)CN(Cc1ccccc1)CC2 117501370 ZQTPLJQFWMCNTF-UHFFFAOYSA-N 438.509 4.017 5 20 IIBD COc1cc(C)c(CN(C)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC 215706118 ONXPYBXSEKLOOS-UHFFFAOYSA-N 427.482 4.316 5 20 IIBD Cc1cnc([C@@H](Nc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])C2CC2)s1 301350626 JWDYFYWKMBSYJK-SFHVURJKSA-N 436.559 4.098 5 20 IIBD O=[N+]([O-])c1cncc(Br)c1NC1CCN(Cc2ccc(F)c(F)c2)CC1 301884443 LMMOANPRCVSJPL-UHFFFAOYSA-N 427.249 4.107 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccccc1-c1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 426657126 LSCNAZDOCOYTPH-ZDUSSCGKSA-N 425.391 4.356 5 20 IIBD COc1ccc(NC(=O)CCN2CCC[C@@H]2c2nc3ccccc3s2)c([N+](=O)[O-])c1 433959256 SWNILHQLWRCKAL-QGZVFWFLSA-N 426.498 4.379 5 20 IIBD O=C(NCc1cccnn1)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 436215923 CGDAEVYJHWGOFT-UHFFFAOYSA-N 434.399 4.485 5 20 IIBD Cc1nc(-c2ccc(NC(=O)C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)cc2)cs1 437054612 YKHMXQYICQTEIK-UHFFFAOYSA-N 436.493 4.156 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 440170418 BMKZHSRJCMJPRO-SFHVURJKSA-N 425.533 4.135 5 20 IIBD O=C(NCCOc1ccccc1Cl)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444238180 OJIQKIKVOCPXJA-UHFFFAOYSA-N 428.822 4.422 5 20 IIBD O=C(N[C@@H]1COc2ccc(Cl)cc21)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444245602 YKBDGGOGZIHKCA-QGZVFWFLSA-N 426.806 4.476 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(-c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)n2)s1 445478641 HRDUORFKHZNBTJ-UHFFFAOYSA-N 446.441 4.313 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CCOc2c(Cl)cccc21 445918273 DAGGUSKQYAHNKZ-HNNXBMFYSA-N 425.666 4.193 5 20 IIBD COC(=O)c1c(C2CC2)csc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 446207943 VJERFCVMPAQCOG-UHFFFAOYSA-N 439.287 4.264 5 20 IIBD Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)sc1Cc1ccc(F)c(F)c1F 446946172 ODVCODPURUUXAL-UHFFFAOYSA-N 443.428 4.169 5 20 IIBD Cc1ccc([C@H](C)N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c(C)c1 447021905 VYRVMKUTGCIPAW-ZDUSSCGKSA-N 427.320 4.356 5 20 IIBD C[C@H]1C[C@H](c2ccccc2F)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 447036874 HJAQRFRISGKMAJ-MEDUHNTESA-N 443.294 4.268 5 20 IIBD CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 460457607 DTDQUWAFHMWMMM-NRFANRHFSA-N 443.459 4.345 5 20 IIBD C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 460534723 SLQZVYCQQSQTSZ-KRWDZBQOSA-N 442.947 4.367 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C(=O)NCc2ccccn2)c1 462433328 RTPZEJLHXFQOSL-SFHVURJKSA-N 432.480 4.127 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(c2ccc(OC)cc2)CCOCC1 462498087 CJWZUIOIYUYZBC-LJQANCHMSA-N 426.513 4.037 5 20 IIBD O=C(N[C@@H]1CCOc2c(F)ccc(F)c21)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 462991539 KITHNQCPCGKBSM-CYBMUJFWSA-N 432.301 4.068 5 20 IIBD O=C(NCCCSc1ccc(F)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465410957 PIGYDUOXBFXNSN-UHFFFAOYSA-N 433.505 4.469 5 20 IIBD O=C(NCc1ccc(OC2CCCC2)nc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465526021 XCERNOFBDKZGJI-UHFFFAOYSA-N 440.500 4.064 5 20 IIBD COc1ccc(CN2CCCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2=O)cc1 468685074 YKSGFZYWPPAVRS-UHFFFAOYSA-N 435.480 4.098 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 468785890 BGUJFMVFRSIHLM-OAHLLOKOSA-N 448.508 4.441 5 20 IIBD O=C(Nc1cc(Br)ccc1NC1CC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 468866997 HCQQLEZDSZQPNC-UHFFFAOYSA-N 442.273 4.370 5 20 IIBD CN(C)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1cccc(C(F)(F)F)c1 470599850 KVHPGJNLTLNXKM-QGZVFWFLSA-N 429.826 4.229 5 20 IIBD CC[C@@H](Cc1ccccc1Br)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 470737881 RBGRRYCQNVNEIN-ZDUSSCGKSA-N 437.290 4.126 5 20 IIBD Cc1c(C(=O)N(C)[C@H](C)[C@@H](C)c2ccc(Cl)cc2)nnn1-c1cccc([N+](=O)[O-])c1 474726409 GZWSGVQKOWZGFR-ZIAGYGMSSA-N 427.892 4.402 5 20 IIBD CN1CC[C@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 477514436 RHDPAPWDUPSAKG-ZHRRBRCNSA-N 448.926 4.389 5 20 IIBD O=C(NCCCCc1ccc(F)c(F)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 477751298 RCKVDAILJBLDKQ-UHFFFAOYSA-N 433.455 4.449 5 20 IIBD O=[N+]([O-])c1cc2c(cc1S(=O)(=O)Nc1c(Cl)cc(Cl)cc1Cl)OCCO2 479137379 DZKLYSFENDZPBJ-UHFFFAOYSA-N 439.660 4.127 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@@H](CCc1ccccc1)C(F)(F)F 482053207 UDMNZVHEKLYEPN-SFHVURJKSA-N 433.386 4.202 5 20 IIBD Cn1cc([C@@H]2CSCCN2C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cn1 482398157 AKJUJPQJQPUILP-FQEVSTJZSA-N 440.550 4.410 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(SC)c(OC)c1 486614519 JXWHYBYSOQNMMY-UHFFFAOYSA-N 436.555 4.336 5 20 IIBD Cc1cc(N2CCC(c3nc(-c4ccccc4Br)no3)CC2)ncc1[N+](=O)[O-] 487144476 ZFNVBXROOYCMAK-UHFFFAOYSA-N 444.289 4.495 5 20 IIBD CC(C)(NC(=O)NCc1ccc(COCC(F)(F)F)cc1)c1ccccc1[N+](=O)[O-] 488163338 OZZMERLYGNVUFF-UHFFFAOYSA-N 425.407 4.408 5 20 IIBD C[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(NC(=O)NC2CC2)cc1 489619038 FUNKBJYOOSZKRP-OAHLLOKOSA-N 437.500 4.314 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)c([N+](=O)[O-])c1 490032299 KNLWPCAGVGYZBO-GJZGRUSLSA-N 444.557 4.145 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(C(=O)CCc2ccccc2)CC1 490103804 HQCRVFOUFBRBSM-UHFFFAOYSA-N 441.553 4.014 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 491084081 JLEUGCFSKMNFBZ-SFHVURJKSA-N 443.569 4.070 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(S(=O)(=O)C2CCCCC2)c1 491541450 PFRDNHRTIDCTLB-UHFFFAOYSA-N 434.539 4.432 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CC[C@H](C(F)(F)F)c2ccccc21 492288061 GJVVOJSNQBLXSU-HNNXBMFYSA-N 449.385 4.366 5 20 IIBD CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cc1 499029238 HZZQNJGTSRFINM-GFCCVEGCSA-N 425.470 4.063 5 20 IIBD COc1cc(C(=O)Nc2ccc(F)cc2OCCC(F)(F)F)cc([N+](=O)[O-])c1OC 500195218 AIUHVPBSUAXWBN-UHFFFAOYSA-N 432.326 4.335 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1 500961301 BPYHJGKXLCMQTK-UHFFFAOYSA-N 428.432 4.155 5 20 IIBD CCOc1cc(NC(=O)Nc2ccc(NC(C)=O)c(OC)c2)c([N+](=O)[O-])cc1OCC 502327500 SUZQWZKFGSEWJK-UHFFFAOYSA-N 432.433 4.003 5 20 IIBD CN(Cc1cccc(Br)c1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 503273396 FCULMASBSSLAPU-UHFFFAOYSA-N 429.274 4.030 5 20 IIBD O=c1onc(-c2ccc([N+](=O)[O-])cc2)n1Cc1csc(Cc2ccc(Cl)cc2)n1 509071877 SJCULVOZJAKGAT-UHFFFAOYSA-N 428.857 4.161 5 20 IIBD C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cc([N+](=O)[O-])ccc1SCCO 509430690 GLSATMQEZXFQJQ-GFCCVEGCSA-N 428.432 4.059 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2cccc([C@@H](C)N3CCOCC3)c2)cc1[N+](=O)[O-] 509887158 QFFBFKNPGYWZQY-CQSZACIVSA-N 448.317 4.311 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CCC(N2CCc3cc(F)ccc32)CC1 511848287 CHSAFFHNKANDDB-UHFFFAOYSA-N 432.883 4.124 5 20 IIBD C[C@@H](NC(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cccc([N+](=O)[O-])c1 512084885 VFRANPLMGZTDPX-UKRRQHHQSA-N 438.406 4.133 5 20 IIBD COCCOc1ccccc1NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 512121302 HUSWVVLBOINZJN-MRXNPFEDSA-N 436.468 4.440 5 20 IIBD COc1cc(C(=O)N2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)cc([N+](=O)[O-])c1OC 512425003 WEJSSXXAHPNZTC-LJQANCHMSA-N 442.365 4.342 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C1CCCC1 513049331 TXOJFPMIGXYBGS-INIZCTEOSA-N 428.270 4.303 5 20 IIBD COc1ccc(CNC(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1[N+](=O)[O-] 515830047 RVCCBOGIVCGUKB-MRXNPFEDSA-N 448.479 4.416 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccccc3)c(CC(=O)OC)s2)c1 516162153 AWAVQOVKPDSVGZ-UHFFFAOYSA-N 441.465 4.085 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F 518603672 HRGRHJSTYKVMKJ-UHFFFAOYSA-N 441.753 4.109 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C/C=C\c1ccccc1)c1ccc2c(c1)OCCO2 518924661 VQCOCNLPPXKCIT-YVMONPNESA-N 448.479 4.008 5 20 IIBD CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 520106061 UEJRRXHSMIZHMB-UHFFFAOYSA-N 434.418 4.299 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(I)c1 521271477 QWFHNXJVWYPGAE-VIFPVBQESA-N 446.628 4.259 5 20 IIBD C[C@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C(c1ccccc1)c1ccccc1 521843041 WUMDVCIKAXXDGJ-KRWDZBQOSA-N 427.464 4.126 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1SC 523384932 PTWATKQBQWEYMP-AWEZNQCLSA-N 432.473 4.200 5 20 IIBD COC(=O)c1c(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])sc2c1CCC2 524184442 PJIRRQFJXMUUKN-UHFFFAOYSA-N 444.387 4.125 5 20 IIBD COc1cc([C@H](C)NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)ccc1OC1CCCC1 524296390 WQDVPUOXHMCDIU-AWEZNQCLSA-N 442.468 4.187 5 20 IIBD Cc1nc([C@@H](C)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)oc1-c1ccc(Cl)cc1 532421440 UPAIZXWKBIIOSV-OAHLLOKOSA-N 427.892 4.490 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc3[nH]c(-c4cccs4)nc3c2)c([N+](=O)[O-])c1 533937768 GNMRDFCTMPYIIU-UHFFFAOYSA-N 430.467 4.009 5 20 IIBD CCCC[C@@]1(c2ccccc2)NC(=O)N(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1=O 534053870 JHPKGACVMWEMAR-QHCPKHFHSA-N 434.452 4.387 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CN3CCC(c4nc(-c5ccccn5)no4)CC3)co2)cc1 534122211 XGPFMWBGPRSPOD-UHFFFAOYSA-N 432.440 4.074 5 20 IIBD O=C(NC1CC1)c1ccc(CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C2CC2)cc1 534811973 LNZDFGBTDKMSQL-UHFFFAOYSA-N 432.480 4.307 5 20 IIBD CCCn1c(NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)OC)nc2ccccc21 535662854 XQDSHUTTZTWCFO-UHFFFAOYSA-N 442.497 4.262 5 20 IIBD CC(C)c1ccc([C@@H]2CCCN2C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 536291531 PHOFLKYEHXFBIX-SFHVURJKSA-N 429.904 4.465 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2cccc(Cn3cnc4ccccc43)c2)c1 537312436 WTEWCCKIXINLOA-UHFFFAOYSA-N 444.491 4.387 5 20 IIBD COc1cc(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])ccc1OC1CCCC1 539842170 ABLPATKOXNIQGX-UHFFFAOYSA-N 426.516 4.002 5 20 IIBD COc1cccc([C@H]2C[C@@H](C)CN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 542242231 VDMKMJFWRCKUGF-SJKOYZFVSA-N 444.431 4.394 5 20 IIBD C[C@H](C(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1)c1ccc([N+](=O)[O-])cc1F 544435832 PXCGPBWVGNTFLR-INIZCTEOSA-N 442.491 4.291 5 20 IIBD Cc1c(-c2nc(Cc3ccc(OC(F)(F)F)cc3)no2)nnn1-c1cccc([N+](=O)[O-])c1 545002670 CXRSNJWTRVESHZ-UHFFFAOYSA-N 446.345 4.023 5 20 IIBD CC(=O)N1CCc2c(NC(=O)c3ccc(N4C[C@H](C)C[C@@H](C)C4)c([N+](=O)[O-])c3)cccc21 545307016 JYKBDQWSVUJHEG-HZPDHXFCSA-N 436.512 4.238 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3ccc(C(F)(F)F)cn3)n2)c(Br)c1 545742146 IWYOQXXBKKXOFQ-UHFFFAOYSA-N 429.152 4.412 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)c1 545832387 NFVGCKPTUYUYPP-UHFFFAOYSA-N 440.403 4.217 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc(Cn3cncn3)c(F)c2)no1 547091421 CTYNMESVMRFRTH-NSHDSACASA-N 444.810 4.217 5 20 IIBD CC(=O)Nc1cc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)ccc1C 547149662 SAWIWHSCVQYUGY-UHFFFAOYSA-N 431.246 4.265 5 20 IIBD O=C(N[C@H](Cc1cccc(Br)c1)CC1CC1)c1cc2c(cc1[N+](=O)[O-])OCO2 548144652 FEICFYRNEOCGGL-HNNXBMFYSA-N 447.285 4.227 5 20 IIBD Cc1ccsc1-c1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C[C@H]1CCCCO1 549659888 BJIACMQROHJZEH-QGZVFWFLSA-N 427.530 4.429 5 20 IIBD CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 553026154 CRYLIWQLRVWSDK-UHFFFAOYSA-N 445.882 4.281 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1nc2c(s1)CSCC2 553302550 NHNCGLXBEXXOFK-UHFFFAOYSA-N 432.449 4.300 5 20 IIBD COc1ccc(CN2CC[C@H]3[C@H](CCCN3C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 557014097 NIBMMKPEEHAPQD-IRLDBZIGSA-N 425.529 4.099 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)cc1 557441901 LCOOYIYFCNHYFK-DRSNIGMVSA-N 439.512 4.198 5 20 IIBD C[C@H](Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-])c1c(F)cncc1F 557733166 OPQGHBGYFVRHIL-ZDUSSCGKSA-N 440.472 4.006 5 20 IIBD CC(C)[C@@](C)(Cc1ccc(Cl)cc1)NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 567137324 DUAYSTOZGAPLFX-OAQYLSRUSA-N 449.960 4.213 5 20 IIBD Cc1c(Cc2noc(CSc3nnc(C)n3Cc3ccccc3)n2)cccc1[N+](=O)[O-] 567975299 OTRSOIZWXNNFBO-UHFFFAOYSA-N 436.497 4.118 5 20 IIBD O=C(c1ccccc1)c1ccc(NCc2ccncc2OC[C@H]2CCOC2)c([N+](=O)[O-])c1 568316770 QBSYPAUGPXZDNW-KRWDZBQOSA-N 433.464 4.248 5 20 IIBD COc1ccc(CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H](C)C2CC2)c(OC)c1 569556059 WCKRZIDVEPWLCU-OAHLLOKOSA-N 438.484 4.463 5 20 IIBD Cc1ccc2ncc(-c3noc(-c4ccc(Cn5nc(C)c([N+](=O)[O-])c5C)cc4)n3)n2c1 571392340 VEIRWKZOKYHFKQ-UHFFFAOYSA-N 429.440 4.130 5 20 IIBD O=[N+]([O-])c1ccc(N2CC[C@@](CO)(Cc3ccc(F)cc3)C2)nc1OCc1ccccc1 574478102 SHOPYZQWGLRTFG-XMMPIXPASA-N 437.471 4.139 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 580666006 XBTCVYDOTXFDMY-JPYJTQIMSA-N 425.554 4.200 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N(Cc1ccc(-n2cncn2)cc1)C1CC1 583334548 YPJMGUHOMPWHMB-UHFFFAOYSA-N 443.916 4.112 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCCc4sccc4C3)n2C[C@H]2CCCCO2)c1 589679882 FAYBSZNLIWSUCY-LJQANCHMSA-N 439.541 4.437 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3C[C@]4(CCCO4)[C@H]3C3CC3)cc2[N+](=O)[O-])n1 590531972 MDNOFCJUBROCEC-YLJYHZDGSA-N 431.539 4.295 5 20 IIBD Cc1c(C(=O)N[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] 603668609 APRRXHZVDCNXLK-QGZVFWFLSA-N 435.402 4.016 5 20 IIBD O=C(NCCc1ccc(OC(F)F)cc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 603682324 HCCRTSSIYHZRBR-UHFFFAOYSA-N 434.317 4.110 5 20 IIBD CC1CCN(c2nnc(SCCOc3cccc([N+](=O)[O-])c3)n2Cc2ccco2)CC1 603724412 SUFZDXRIWFAZKE-UHFFFAOYSA-N 443.529 4.235 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@H](c3ccccc3)C(F)(F)F)cc2)c(C)c1[N+](=O)[O-] 603810432 WLDBFTOQADXTHH-LJQANCHMSA-N 432.402 4.490 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC[C@H](OCC(F)(F)F)C3)cc2[N+](=O)[O-])C1 603981800 NGRQGXGGFINGFE-UXLLHSPISA-N 443.466 4.261 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1cccc(Br)c1 604016159 FLLKTIRSINUVKZ-NSHDSACASA-N 426.698 4.470 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 604117675 DXPVVSQPZZDECA-UHFFFAOYSA-N 435.845 4.203 5 20 IIBD COc1ccc(NC(=O)CCN(C)C[C@H]2CCCO[C@H]2c2ccccc2)c([N+](=O)[O-])c1 604520802 RIBSAIXIUPZGFG-JPYJTQIMSA-N 427.501 4.032 5 20 IIBD CCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)cn1 608807973 DCSDNSKFZJDCPR-JTQLQIEISA-N 428.670 4.226 5 20 IIBD COc1ccc(CC(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)cc1[N+](=O)[O-] 609010647 PWQBQWMSNAOMHM-UHFFFAOYSA-N 441.387 4.335 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(N2CCc3ccccc3C2)cc1 609135765 NXMXFDBDMUHRGZ-UHFFFAOYSA-N 440.463 4.195 5 20 IIBD O=C(NC[C@@H]1CCOc2ccccc21)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 609858906 RNUUAPKJUZOVBI-LBPRGKRZSA-N 447.278 4.383 5 20 IIBD COc1ccc(NC(=O)c2cccc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)c2)cn1 609861443 KCEUCRWZTXKAPT-UHFFFAOYSA-N 426.816 4.156 5 20 IIBD CC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c(C)c1 610042802 VERLJLPTZQIHJS-LBPRGKRZSA-N 434.290 4.446 5 20 IIBD C[C@H](C(=O)O)N(C)C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 610891814 AVFVMVXSNCYOQZ-LKKYZFDUSA-N 425.466 4.067 5 20 IIBD CN(Cc1ccsc1)C(=O)c1cc(C(=O)N(C)Cc2ccsc2)cc([N+](=O)[O-])c1 613099437 OOLULESTLOEAIH-UHFFFAOYSA-N 429.523 4.262 5 20 IIBD COC1(CNC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CCOCC1 613401281 LHXUVUVVDDPGNL-UHFFFAOYSA-N 436.917 4.325 5 20 IIBD O=C(O)COc1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cc1 617725453 KWGOTYZKWHFCHY-UHFFFAOYSA-N 444.509 4.065 5 20 IIBD COc1cn(-c2ccccc2)nc1C(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 619729697 OWMUYVKFCDBWGY-UHFFFAOYSA-N 435.465 4.473 5 20 IIBD Cc1nc([N+](=O)[O-])c(Br)n1CCOc1ccc(Cl)cc1Br 726431787 KHDOXFXNBBRGHT-UHFFFAOYSA-N 439.491 4.357 5 20 IIBD C[C@H](Oc1ccccc1C(F)(F)F)C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 727205630 XJPYOEPALJWWEG-NSHDSACASA-N 437.330 4.174 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cccc(CNC(=O)OC(C)(C)C)c2)cc([N+](=O)[O-])c1 727867927 PYONMGGFGOFHKE-UHFFFAOYSA-N 443.456 4.049 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCc2nnc(-c3cccc(Cl)c3)o2)cc1SC 730305223 XKXHMDIVIXDTTJ-UHFFFAOYSA-N 435.845 4.386 5 20 IIBD CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2cc([N+](=O)[O-])c(F)cc2F)NC(=S)N1C 731430015 FSFORXXQBOMLRF-IBGZPJMESA-N 446.479 4.264 5 20 IIBD COC(=O)C1=C(C)N(Cc2cccs2)C(=O)N[C@@H]1c1ccc(C(C)C)c([N+](=O)[O-])c1 732002855 MUFXFGIPFJOSHR-LJQANCHMSA-N 429.498 4.493 5 20 IIBD CN(C)CCCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)C(c1ccccc1)c1ccccc1 732070318 NPWBJZHTBYBPIB-UHFFFAOYSA-N 432.524 4.361 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCC[C@H](c3nnc(S)n3C3CC3)C2)cc1[N+](=O)[O-] 732171314 JUBSIQLZDJGRAT-AWEZNQCLSA-N 429.546 4.127 5 20 IIBD Cc1nn(C)c(Cl)c1COC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 736864036 QDRCCTRGEIQNJH-UHFFFAOYSA-N 444.662 4.140 5 20 IIBD CN1C(=O)C[C@H](COC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@H]1c1cccc(Cl)c1 737383429 YXOHTBQPMKZSKV-VLIAUNLRSA-N 428.828 4.371 5 20 IIBD O=C(CCn1cc([N+](=O)[O-])cn1)O[C@@H](c1ccccc1)c1cccc(Br)c1 741115025 ABSDCVDRXRPUMW-IBGZPJMESA-N 430.258 4.277 5 20 IIBD Cc1cc(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)cc(C)c1OCC(=O)N1CCCCC1 741528866 CENDOZZRAJUUBP-UHFFFAOYSA-N 447.438 4.133 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)[C@](C)(O)Cc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 745145145 IDPKSMPSKHZNRE-RCZVLFRGSA-N 448.475 4.120 5 20 IIBD CN(CC(=O)OCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1[N+](=O)[O-] 745615556 MCNUYMVJMDMNJJ-UHFFFAOYSA-N 437.239 4.131 5 20 IIBD O=C(COC(=O)c1ccc(Oc2ccccc2Cl)nc1)Nc1ccccc1[N+](=O)[O-] 747035301 SMSDSKIGJPYEDR-UHFFFAOYSA-N 427.800 4.231 5 20 IIBD C[C@@H](OC(=O)c1ccccc1NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 748336347 USWPUDMEGMDUDS-GFCCVEGCSA-N 447.419 4.265 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(OC(=O)CC[C@@H](C)c2ccccc2)c([N+](=O)[O-])c1 750316067 OUIMXWSBEOQNRE-MRXNPFEDSA-N 434.514 4.115 5 20 IIBD O=C1NC[C@@H](COC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])O1 752146228 NDMUNKUMXWYSFK-NSHDSACASA-N 442.371 4.030 5 20 IIBD COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 752415876 BTGXWNSRSXKHGW-YWZLYKJASA-N 443.500 4.355 5 20 IIBD O=C1N(CN2CCC[C@@H](c3nc4ccccc4s3)C2)CCN1c1ccccc1[N+](=O)[O-] 752786427 NXOBZWJILBSGHI-MRXNPFEDSA-N 437.525 4.284 5 20 IIBD CN(Cc1ccccc1N1CCCC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754632115 PXJIXHPEYCYKOC-UHFFFAOYSA-N 436.281 4.369 5 20 IIBD O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1CN1CCc2sccc2[C@@H]1c1cccs1 755257428 YUJLZDHHENNHME-GOSISDBHSA-N 440.506 4.140 5 20 IIBD COc1ccc(CSCC(=O)OCc2noc(-c3cccc(Cl)c3)n2)cc1[N+](=O)[O-] 756372019 ORIDSPVBTRQWNV-UHFFFAOYSA-N 449.872 4.283 5 20 IIBD O=C(NCc1cccc(OCc2ccccn2)c1)c1cccc([N+](=O)[O-])c1Br 758072492 IAQKZLDBOOVAIT-UHFFFAOYSA-N 442.269 4.261 5 20 IIBD COc1cc2c(cc1NC(=O)COC(=O)c1ccc(F)cc1[N+](=O)[O-])oc1ccccc12 758113720 JZCOKZKZNIUMNK-UHFFFAOYSA-N 438.367 4.437 5 20 IIBD CN(C(=O)c1cccc([N+](=O)[O-])c1Br)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 759140491 FHJGVPWASDOJFE-YOEHRIQHSA-N 437.265 4.489 5 20 IIBD O=[N+]([O-])c1cccc(N(Cc2cnc(Cl)s2)S(=O)(=O)c2ccc(F)c(F)c2)c1 760348557 KYVNISNUNBBTHD-UHFFFAOYSA-N 445.856 4.378 5 20 IIBD O=C(c1cccc([C@@H]2CCOC2)c1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 761419236 XLAIXVXDMMOWNG-QGZVFWFLSA-N 449.429 4.080 5 20 IIBD O=[N+]([O-])c1cccc(Oc2ccc(-c3noc(Cc4csc(-c5nc[nH]n5)n4)n3)cc2)c1 762308781 MWRFQILQZIOGEP-UHFFFAOYSA-N 447.436 4.270 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1nnc(-c2ccccc2Cl)o1 764234426 RNKQXRSBXIFOCT-UHFFFAOYSA-N 449.872 4.394 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(C)CCN(C(=O)OC(C)(C)C)CC1 765111670 WBYDEAZAIMKGCM-SFHVURJKSA-N 433.549 4.317 5 20 IIBD COc1ccc(C(=O)OCC(=O)N(C)C(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 765258252 PZPUYKINIVXGMI-UHFFFAOYSA-N 434.448 4.008 5 20 IIBD O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1CCc2c(Cl)cc(Cl)cc2C1 765455063 SGPQJOTTWODKQM-UHFFFAOYSA-N 431.279 4.141 5 20 IIBD Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 767326525 FSFZDFPFMWDCFZ-GOSISDBHSA-N 437.418 4.163 5 20 IIBD CC(C)(C)OC(=O)N1CCCc2cc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)ccc21 768880248 AVIGTJFGHASQNW-UHFFFAOYSA-N 439.515 4.145 5 20 IIBD Cc1cccc(O[C@@H]2CCCC[C@H]2NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 772545761 UCMMARLCYQLVPZ-IEBWSBKVSA-N 431.876 4.002 5 20 IIBD Cc1cc(C(=O)O[C@H]2CCN(c3ccc([N+](=O)[O-])cc3F)C2)c2c(C(C)C)noc2n1 778810321 MZWZUELAZYULGP-AWEZNQCLSA-N 428.420 4.138 5 20 IIBD CC(C)(C)OC(=O)N1CC=C(CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 779450452 ZWBBUUPAIPWNOQ-UHFFFAOYSA-N 444.410 4.302 5 20 IIBD CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 780901316 YTZLEJBBXKGAQF-KRWDZBQOSA-N 437.540 4.495 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(CCN2CCCCC2)cc1 781625362 ZZTWFZIEXZBZDH-UHFFFAOYSA-N 426.473 4.103 5 20 IIBD COc1cccc([C@@H](OC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c2ccncc2)c1 782455853 JVPILCUDMRGBTI-QFIPXVFZSA-N 430.420 4.131 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 782727857 YPLXAAKQYONZLM-QUCCMNQESA-N 446.548 4.101 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 783333994 CTFUBEIPTPDFOB-SFHVURJKSA-N 445.262 4.141 5 20 IIBD O=C(C[C@H](O)c1ccc(OCc2ccccc2)cc1)OCc1ccc([N+](=O)[O-])c(F)c1 784628649 HNCWLBLWXVOKII-QFIPXVFZSA-N 425.412 4.480 5 20 IIBD C[C@@H](OC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(=O)c1ccccc1Br 789041733 KPUIYRRTWFUKEF-GFCCVEGCSA-N 431.242 4.127 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1cc2ccccc2o1 790746446 SZJLOIBWRWDZNA-NWDGAFQWSA-N 448.834 4.485 5 20 IIBD CCOC(=O)/C(=C\C1=Cc2cc(Br)ccc2OC1)c1ccc([N+](=O)[O-])cn1 791428935 WCMMBGWKBREGEU-PXNMLYILSA-N 431.242 4.175 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cc3nccnc3cc2F)cc1)c1cccc([N+](=O)[O-])c1 791456606 GEMMTPHPPUOBCD-UHFFFAOYSA-N 432.367 4.149 5 20 IIBD COc1cc(COC(=O)c2cc3sc(N4CCCC4)nc3s2)c([N+](=O)[O-])cc1F 796312507 DFTRJJUXEVZFTD-UHFFFAOYSA-N 437.474 4.371 5 20 IIBD COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 797579572 ONWGKECWAHJWMX-UHFFFAOYSA-N 428.184 4.157 5 20 IIBD O=C(NC[C@@H](O)c1cccc(C(F)(F)F)c1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 798299752 MUJLCOJKEYJGNA-QGZVFWFLSA-N 431.370 4.139 5 20 IIBD COc1ccccc1-n1ncc(C(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])c1C 798492970 GVHNUAFWXGZJQG-QHCPKHFHSA-N 444.447 4.439 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] 799375001 UXMYEYSNTRXROW-SJORKVTESA-N 434.537 4.301 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccc(F)cc2OCCC(F)(F)F)cc([N+](=O)[O-])c1F 799931890 GSQUHEJVYCWFEN-UHFFFAOYSA-N 440.346 4.313 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC(N2CCc3ccccc32)CC1 800581293 BYVVPFOKOOCUGE-UHFFFAOYSA-N 448.292 4.164 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)OCc1nc2cc(Br)ccc2o1 803321675 ODIMITQGECEHQC-UHFFFAOYSA-N 430.214 4.197 5 20 IIBD CC(C)[C@H](C(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)N(C)C 803701967 FNVXPSMQIYKWEX-MOPGFXCFSA-N 433.892 4.057 5 20 IIBD CC(=O)c1oc2cc(C)ccc2c1CC(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 805664346 PUNMDGXZHVWKCL-UHFFFAOYSA-N 435.392 4.188 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2-c2nc(-c3ccc(-n4ccnc4)nc3)no2)CC1 809273924 MCGUPCKRXXAPIO-UHFFFAOYSA-N 431.456 4.129 5 20 IIBD CCCN(C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCc2ccccc21 810355902 FJBJQYVEVZUOIB-KRWDZBQOSA-N 446.301 4.222 5 20 IIBD C[C@H]1CCCc2ccccc2[C@H]1NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810399828 WSXSBUCHCSCCPD-SGTLLEGYSA-N 446.301 4.126 5 20 IIBD CC[C@@H]1[C@@H](C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCN1C(=O)OC(C)(C)C 811302593 QEWNMPLHHMPHGA-ZWKOTPCHSA-N 445.472 4.329 5 20 IIBD O=C(c1cccc(NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1)N1CCC[C@H](CO)C1 811470069 RSGZEMNAKMOOBH-ZDUSSCGKSA-N 438.311 4.358 5 20 IIBD Cc1cc(F)cc(C(=O)NCc2cccc(-c3nc(CC(F)(F)F)no3)c2)c1[N+](=O)[O-] 813255691 QSHUFFJXOTVZBS-UHFFFAOYSA-N 438.337 4.127 5 20 IIBD COc1c(Br)cc(Cl)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C 833633119 BPBMSMHYTCICND-UHFFFAOYSA-N 428.670 4.338 5 20 IIBD CC(C)[C@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@H]1CCOc2ccccc21 877031407 QVIFBDDELHSLNL-LPHOPBHVSA-N 432.860 4.070 5 20 IIBD CN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccccc1Cl 912629152 LVEIVWYMIZRTTL-OAQYLSRUSA-N 430.936 4.271 5 20 IIBD Cc1ccc(-c2nn(-c3ccccc3)cc2COC(=O)Cn2cc([N+](=O)[O-])cn2)cc1C 913301652 REGPVXOJNIUFCC-UHFFFAOYSA-N 431.452 4.004 5 20 IIBD O=C(/C=C/c1ccccc1OC(F)(F)F)OCc1cc([N+](=O)[O-])cc2c1OCOC2 914806305 ALBXJINEECDTPR-AATRIKPKSA-N 425.315 4.117 5 20 IIBD COc1cc(CNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc(OC)c1OC 914863212 OQXMNSCUVDLACN-UHFFFAOYSA-N 431.323 4.160 5 20 IIBD CC(C)[C@H](OC(=O)COc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(F)(F)F 915365343 ICLBTGGOMZGWLO-SFHVURJKSA-N 440.374 4.199 5 20 IIBD COc1ccc(N(Cc2cc([N+](=O)[O-])ccc2OC)S(=O)(=O)c2ccccc2)cc1 915671214 OFSJVJGGLGGHRH-UHFFFAOYSA-N 428.466 4.008 5 20 IIBD C[C@@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccc(NC(=O)NC2CC2)cc1 916071788 SQWNCKHOBLGBHN-LLVKDONJSA-N 447.289 4.132 5 20 IIBD O=C(NS(=O)(=O)/C=C\c1ccccc1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 916782541 VGLRHFRKLISNOU-YPKPFQOOSA-N 440.502 4.477 5 20 IIBD CCCCc1c(C)nc2nc(SCC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])nn2c1C 917258971 AAZAPBPSOJMKAQ-UHFFFAOYSA-N 448.936 4.376 5 20 IIBD O=C(Nc1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1)c1ccccc1 917907865 WBAPLRJVZFKFOK-UHFFFAOYSA-N 432.841 4.268 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)c1ccc(-n2cccn2)cc1)c1cccc([N+](=O)[O-])c1 918635247 DAYNBHVNCQMJIW-FQEVSTJZSA-N 448.479 4.022 5 20 IIBD CCOc1ccccc1[C@H](CC)NC(=O)COC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 919212487 SLKLGTLZQZEAPB-KRWDZBQOSA-N 426.425 4.164 5 20 IIBD CC(C)(C)C[C@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(F)cc1 919219590 ITGVUSGWWYHRNG-SFHVURJKSA-N 447.419 4.093 5 20 IIBD CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 921016541 RWFCWCHWMLURTP-GOSISDBHSA-N 449.551 4.061 5 20 IIBD C[C@H](Cc1cccc(F)c1)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 921110447 SJOYPWMDXIEUGQ-LLVKDONJSA-N 428.338 4.113 5 20 IIBD Cn1c(COc2ccc(Cl)cc2)nn(CN2CCc3ccc([N+](=O)[O-])cc3C2)c1=S 1319127705 QYYFZTDGFGNIHC-UHFFFAOYSA-N 445.932 4.107 5 20 IIBD O=C(c1ccccc1NCc1ccccc1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1324591609 KSUDBAJNVBONRW-UHFFFAOYSA-N 430.508 4.165 5 20 IIBD Cc1nccn1-c1ccncc1NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 1328356282 RYUKIQLJSFRBTG-HOTGVXAUSA-N 434.500 4.219 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2-c2nnc(CCCNC(=O)OC(C)(C)C)o2)CC1 1328432232 NZJIBYDOGSTHQZ-UHFFFAOYSA-N 445.520 4.338 5 20 IIBD COc1cc(COC(=O)c2cnn(C3CCCC3)c2C)c([N+](=O)[O-])cc1OC(F)F 1341348410 DRDGJWZBTASDRK-UHFFFAOYSA-N 425.388 4.182 5 20 IIBD CCN(CC)C(=O)Nc1ccc([C@H](C)NCCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 1353230603 DPFNPJYGVZOSMY-INIZCTEOSA-N 427.505 4.148 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)NC1(c2ccc(NC(=O)C3=CCCS3)cc2)CCC1 1786411997 QUYDLSKEWVAQQN-UHFFFAOYSA-N 437.521 4.292 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccs4)cc3)CCC2)ncc1[N+](=O)[O-] 1787276100 AEBBXXIDSLNIQN-UHFFFAOYSA-N 436.493 4.421 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCCCC1(F)F 1793718716 IOLNFNHWXAZHQM-LFMOKJQNSA-N 447.482 4.072 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(C)CCC2)[nH]n1 1821283080 DWKLCKOAXVYZRS-KRWDZBQOSA-N 443.479 4.262 5 20 IIBD CC(C)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)[nH]n1 1821933575 WURXLMBOWSYOTR-SFHVURJKSA-N 431.468 4.199 5 20 IIBD O=C(Cc1ccc(Cl)cc1[N+](=O)[O-])N1CCC([C@@H]2CCCCN2C(=O)C2CCC2)CC1 1826243029 ISKCSJDPJYXYLK-FQEVSTJZSA-N 447.963 4.211 5 20 IIBD C[C@@H]1C[C@]1(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830499348 ULVAMJZEMTXHLX-OFSQETHSSA-N 431.508 4.013 5 20 IIBD CCC[C@H]1CC[C@H](C(=O)N2CCCC23CN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)C3)CC1 1846078107 YTCRODLRHGAHTM-IYARVYRRSA-N 443.544 4.027 5 20 IIBD Cc1c(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cccc1[N+](=O)[O-] 9929572 ZBSHPLLCWQPPHS-UHFFFAOYSA-N 446.492 4.277 5 20 IIBD Cc1cc(C)c(C(=O)[C@@H](C)OC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1C 19430996 AIJDQELYTGRKDG-MRXNPFEDSA-N 440.452 4.023 5 20 IIBD C[C@H](OC(=O)c1occc1COc1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 21724049 SJBFECQNJIYDSR-ZDUSSCGKSA-N 428.372 4.090 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)C(C)(C)Oc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] 22188704 XOILNELEOQHFHW-GOSISDBHSA-N 432.448 4.091 5 20 IIBD Cc1cc(C)c(-c2csc(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)n2)cc1C 22559674 XKMZGJYFSFIWMM-UHFFFAOYSA-N 434.481 4.477 5 20 IIBD O=C(c1ccc(OC(F)F)cc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 22920068 AHUBVOWXJAEZKY-UHFFFAOYSA-N 445.344 4.177 5 20 IIBD COc1cc(CC(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)ccc1C 26249219 OFULZLSJDROTDZ-LBPRGKRZSA-N 440.374 4.044 5 20 IIBD CCn1c(C)cc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1C 26618461 MRUACIOIERTNLA-CQSZACIVSA-N 442.497 4.341 5 20 IIBD O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 32572128 LRKOPMGVXYOAAL-MRXNPFEDSA-N 432.860 4.152 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1C 60443303 RIMVILZUTHHLEC-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD CCN(CCC(=O)OC)C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 64301986 AYGXPEUTEGFAHP-UHFFFAOYSA-N 445.522 4.381 5 20 IIBD O=[N+]([O-])c1cc(F)c(N2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn34)C2)c(F)c1 301783465 KJZNQCGDAAIPAB-SNVBAGLBSA-N 427.333 4.319 5 20 IIBD Cc1cc(N2CCC[C@H](c3nnc4n3CCCCC4)C2)c(Br)cc1[N+](=O)[O-] 302684321 QCCZUNCKDMTNST-AWEZNQCLSA-N 434.338 4.368 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1 303270588 RCOCRRVRCVGGTM-SNVBAGLBSA-N 433.383 4.388 5 20 IIBD CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303435595 GTMQVEFFCDWNHF-AWEZNQCLSA-N 442.324 4.226 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)[C@H]1C[C@H]1c1cccc(F)c1F)c1ccccc1[N+](=O)[O-] 303930637 VJGXDMMQYNABGP-BQFCYCMXSA-N 432.423 4.176 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NC[C@H]3CCCO[C@H]3c3ccccc3)cc2)c(C)c1[N+](=O)[O-] 409557942 NPQJYJPTUHDTAP-VWNXMTODSA-N 448.523 4.354 5 20 IIBD COc1ccc(C[C@@H](NC(=O)c2cc(OC)ccc2[N+](=O)[O-])c2ccc(OC)cc2)cc1 409947035 KKMXIJWUFCUXQW-JOCHJYFZSA-N 436.464 4.334 5 20 IIBD Cc1c(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cccc1N1CCNC1=O 427980226 LMLVQVRFIBAPBR-UHFFFAOYSA-N 448.429 4.050 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCC[C@H](OCC2CC2)C1 428110916 CXBDYZRTUXIPFM-AWEZNQCLSA-N 439.299 4.119 5 20 IIBD O=C(Nc1nnc(Cc2cccc(F)c2)s1)c1ccc(Br)cc1[N+](=O)[O-] 430936682 VUSYSDLCHJGSBK-UHFFFAOYSA-N 437.250 4.191 5 20 IIBD COc1ccc([C@@H]2CCCN2C(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1OC 431773079 NUFUIUQZPDRLMN-INIZCTEOSA-N 435.274 4.352 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 433328295 WALMFAZVPFHSBG-UHFFFAOYSA-N 435.933 4.467 5 20 IIBD O=C(NC1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC1)C1CCCCC1 436308741 CQICDEUOJUAGGU-UHFFFAOYSA-N 449.526 4.122 5 20 IIBD Cc1nc(-c2ccccc2)sc1NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437044097 PXXLUEDWEIOZIT-UHFFFAOYSA-N 436.493 4.156 5 20 IIBD CCCCOc1ccc(NC(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c(C)c1 437070975 WFVZSZPYOFMQQY-UHFFFAOYSA-N 425.485 4.212 5 20 IIBD O=C(c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)N(CCO)C1CCC1 440150244 LXNLSTRZFQJDME-UHFFFAOYSA-N 429.523 4.343 5 20 IIBD O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 440684142 ZUVZUNPKRHRFPH-UHFFFAOYSA-N 438.399 4.196 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1ccccc1F)c1ccc2nc(O)[nH]c2c1 440722065 NHBCFNZCWUIAGP-UHFFFAOYSA-N 449.442 4.270 5 20 IIBD CCc1ncsc1C(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 440769750 IFPFVYAXZMVJPF-UHFFFAOYSA-N 442.566 4.300 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(F)(F)F)c(C)c2)cc1OC 441113118 LEFVKBSPXHUTOP-UHFFFAOYSA-N 428.363 4.208 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCO[C@H](CCc2ccccc2)C1 444312444 LUHZECRCXVKGJW-LJQANCHMSA-N 448.469 4.433 5 20 IIBD Cc1nn(Cc2ccccc2)c2sc(C(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)cc12 444635561 LCVHIPFMNFLGEI-UHFFFAOYSA-N 446.492 4.169 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 444641496 VFVLKWWWMURYOM-NHCUHLMSSA-N 442.475 4.470 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccccc1 445255260 SIANOGIYBKTDHX-GFCCVEGCSA-N 441.303 4.232 5 20 IIBD CSc1nnc(-c2noc(-c3ccc(N[C@@H](C)c4ccccn4)c([N+](=O)[O-])c3)n2)s1 445617663 BMYVNSNKSSHIRQ-JTQLQIEISA-N 441.498 4.453 5 20 IIBD CCOc1cc2c(cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)O[C@H](C)C2 445716245 NXNNDOCKFNPDPR-LLVKDONJSA-N 435.274 4.261 5 20 IIBD COCCCCN(Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 447041515 WNVBYUNRLDCLNJ-UHFFFAOYSA-N 446.447 4.231 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1cccc2nccn12 460342392 HGHYIROSGYSLKS-UHFFFAOYSA-N 438.447 4.276 5 20 IIBD O=C(C1CCN(c2nc3ccccc3o2)CC1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 460362904 GRDJPFHCSNAACC-OAQYLSRUSA-N 438.509 4.227 5 20 IIBD CC1(C)CN(C(=O)c2cc(C(=O)N3CC(C)(C)[C@H]3C3CC3)cc([N+](=O)[O-])c2)[C@H]1C1CC1 460976866 KNIWEGQEYQJSGL-BGYRXZFFSA-N 425.529 4.116 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1C[C@@H](CO)[C@H](c2ccc(Cl)cc2)C1 461273287 RNTCZJREQPKIJR-UWJYYQICSA-N 432.907 4.183 5 20 IIBD Cc1cnn([C@H]2CCN(C(=O)c3ccc(Sc4nc(C)cs4)c([N+](=O)[O-])c3)C2)c1 461388011 ZARSYMQQUMPKAX-HNNXBMFYSA-N 429.527 4.103 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@H]3c3cccs3)n2C[C@@H]2CCOC2)c1 461585636 ZTKGPMYDWLCLGV-YJBOKZPZSA-N 425.514 4.293 5 20 IIBD CCCO[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCCO2)CC1 461671203 RWQIXEUMWCMGKA-NHCUHLMSSA-N 443.548 4.208 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(NC(=O)c2ccncc2)c1 462496931 XDJWSMCZKJQSBA-IBGZPJMESA-N 432.480 4.127 5 20 IIBD CC(=O)Nc1cccc2c1CCCN2S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 462551099 YPOXPXBLOMJYET-UHFFFAOYSA-N 444.296 4.002 5 20 IIBD COCCOCc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)cc1 463059407 YRBGPWPYPLCCIN-UHFFFAOYSA-N 448.273 4.161 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)C[C@@H]1CCN(Cc2ccccc2)C1 464834828 HKLBITPADJTFRP-AEFFLSMTSA-N 430.936 4.029 5 20 IIBD Cc1nn(CCC(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)c(C)c1[N+](=O)[O-] 465042774 JTEJAIKZYRFBIK-UHFFFAOYSA-N 437.230 4.023 5 20 IIBD CC(C)c1ccc(-n2cnnc2SCC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 466305106 CGIJMVPMUUJIEL-UHFFFAOYSA-N 445.932 4.361 5 20 IIBD C[C@@H]1OCC[C@@]12CN(C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)C[C@@H](C)O2 468526345 CFKAJRONGFEUOQ-ZMPRRUGASA-N 434.558 4.286 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1cccc(NC(=O)Nc2ccccc2)c1 468707266 NNHYVWJRLGZAAD-UHFFFAOYSA-N 440.481 4.254 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1ccccc1Oc1ccc(C)cc1 469363219 VPMOUJCOVASGJW-LJQANCHMSA-N 437.500 4.244 5 20 IIBD COc1cc(CN(C)C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)ccc1O 473891915 WKYGIGAXGFFWJU-UHFFFAOYSA-N 445.522 4.497 5 20 IIBD C[C@@H](C(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1F 477264571 NJXPRYNDFCXEMW-CHWSQXEVSA-N 425.382 4.251 5 20 IIBD C[C@@H](C(=O)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1)c1ccc2ccccc2c1 478078948 HWIMYCBOBRDAED-QGZVFWFLSA-N 443.507 4.467 5 20 IIBD Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)N2CCOCC2)o1 478292257 WQSGYGGVXJPPPA-LJQANCHMSA-N 447.557 4.048 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NCc1cccc([N+](=O)[O-])c1C 479727210 ZCRRXFZUXSHNDE-SCLBCKFNSA-N 436.306 4.241 5 20 IIBD CCC(=O)c1ccc(Sc2nnnn2-c2ccc(Br)cc2)c([N+](=O)[O-])c1 480103943 HGYIMJCTFCFKCL-UHFFFAOYSA-N 434.275 4.077 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1csc(Br)c1 480709505 XKEONSAODNOGRG-UHFFFAOYSA-N 431.333 4.087 5 20 IIBD COC(=O)c1cc(OCC(=O)N(C)C(c2ccccc2)c2ccccc2)ccc1[N+](=O)[O-] 481946189 URICJXLUOASOLX-UHFFFAOYSA-N 434.448 4.008 5 20 IIBD O=C(Nc1cccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1)c1ccncc1 482446550 KXAMFCFCRLZPSF-UHFFFAOYSA-N 431.452 4.095 5 20 IIBD O=c1nc(Cc2ccc([N+](=O)[O-])cc2Br)[nH]c2cc(Cl)c(Cl)cc12 485369823 JVQLRWIFFAFQMY-UHFFFAOYSA-N 429.057 4.491 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccnn1Cc1ccc(F)cc1 486882485 TZQAHLRUHYZRJQ-UHFFFAOYSA-N 426.451 4.177 5 20 IIBD Cc1cc(Br)cc2cc(C(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)oc12 486986632 MGOJVMAJWOSDEW-UHFFFAOYSA-N 433.262 4.086 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 487664581 WVQUUFCILMQQOZ-UHFFFAOYSA-N 448.401 4.430 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2ccc(F)c(F)c2)nnc1-c1ccc([N+](=O)[O-])cc1 489447215 PHQIYKYPIIMOPW-LLVKDONJSA-N 433.440 4.271 5 20 IIBD O=C(N[C@@H]1CCC[C@H](c2ccccc2)C1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 489642929 RUUBEPWLVBBCKB-RCCFBDPRSA-N 427.526 4.104 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1[N+](=O)[O-] 491595492 AOCDEXWEBKBCSX-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD CCCN(C(=O)c1cc(OC)c(OCCOC)cc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 500010726 UEPQHSMZXAMHAC-LJQANCHMSA-N 428.485 4.168 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(F)cc2OCCC(F)(F)F)cc([N+](=O)[O-])c1 500240137 YVLMETWVDIHKOY-UHFFFAOYSA-N 444.337 4.494 5 20 IIBD C[C@H]1CN(Cc2ccccc2NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[C@@H](C)O1 501424187 NQOUADFUMZIFGS-HDICACEKSA-N 438.528 4.057 5 20 IIBD CC[C@H](c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1-c1ccc(OC)cc1)N(C)C 501709971 RUEAVWNOWDRFHU-LJQANCHMSA-N 427.530 4.489 5 20 IIBD Cc1cc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cn2ccnc12 502749514 SKQHLMGBKDTEFO-UHFFFAOYSA-N 447.417 4.425 5 20 IIBD O=C(Nc1ccc(Br)cn1)c1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1 505110800 QCPYUFHWLHYSHR-UHFFFAOYSA-N 441.241 4.257 5 20 IIBD Cn1cc(C(=O)Nc2nc(CN3CCCCCC3)cs2)c(-c2ccc([N+](=O)[O-])cc2)n1 507260898 FPWVTDKFYKDQHK-UHFFFAOYSA-N 440.529 4.080 5 20 IIBD Cc1ccccc1[C@@H]([C@@H](C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)N(C)C 510527926 ZDOIBCRABGYYBL-NIYFSFCBSA-N 427.548 4.271 5 20 IIBD COc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)N2CCCC2)cc1 510739123 BSOKBZXRGYVIIE-QHCPKHFHSA-N 438.528 4.088 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1-c1nc(COc2ccccc2)no1 511260771 WRVSYQLMPXPMIA-UHFFFAOYSA-N 437.193 4.137 5 20 IIBD Cc1cc(Br)ccc1N(C)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 511687406 MEYIJZYXTXEMBR-UHFFFAOYSA-N 433.711 4.453 5 20 IIBD CC(C)(CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1c(Cl)cccc1Cl 517854768 JWPXAKCUYZVFEQ-UHFFFAOYSA-N 445.324 4.013 5 20 IIBD C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 521722931 MGYFQCWZHBLCAW-LLVKDONJSA-N 443.809 4.216 5 20 IIBD COCCOc1ncccc1CNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 522708075 CNKIKEFVSMCHHX-UHFFFAOYSA-N 438.440 4.129 5 20 IIBD CCOC(=O)c1ccnc(N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)c1[N+](=O)[O-] 523113818 UMDQPXWVZPCZBV-OAHLLOKOSA-N 444.246 4.190 5 20 IIBD C[C@H](O)C[C@H](C)CNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 525397178 LCMNCCFVZOTKJM-STQMWFEESA-N 431.539 4.493 5 20 IIBD CC1(C)CC(=O)c2sc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Br)nc2C1 531022998 MYXUEYRUJUAGBY-UHFFFAOYSA-N 438.303 4.150 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1ccc(-n2cnc3ccccc32)cc1 534683835 LFWRZDVXHGRUNE-UHFFFAOYSA-N 425.448 4.274 5 20 IIBD O=C(CSc1nnc(-c2ccc3ccccc3c2)o1)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 535461048 VHUXWRKSPBUPIM-UHFFFAOYSA-N 446.448 4.405 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1SCCc2ccccc21 535665522 IFFVEQDKGJUICD-LJQANCHMSA-N 446.550 4.010 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Sc2nnc(C)n2[C@H]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 536090658 NTKVFHUPEOGPDG-YDHLFZDLSA-N 433.534 4.374 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)c1 539519739 OVBCUXOROJBURE-UHFFFAOYSA-N 425.485 4.373 5 20 IIBD O=C(NCCCNc1ncnc2ccc([N+](=O)[O-])cc12)c1ccc(Oc2ccccc2)o1 540417791 UWYZHRDLINGZOA-UHFFFAOYSA-N 433.424 4.155 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N(c1cccc(F)c1)C1CCOCC1 540767039 ZAYBQBBIAKXAHI-UHFFFAOYSA-N 437.265 4.251 5 20 IIBD C[C@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)Oc1cccc(Br)c1 541579873 GUUIHGKEJAKQFK-VXGBXAGGSA-N 425.254 4.184 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1CN(Cc2ccccc2)CCO1 541867715 IGUASKUQBYROMS-DYESRHJHSA-N 443.569 4.116 5 20 IIBD C[C@@H]1C[C@H](c2cccnc2)N(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 542527921 YPROMNLXHYOJDH-CXAGYDPISA-N 437.422 4.213 5 20 IIBD CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C1CC1 542550252 HNGOOHRPCQRACN-QVKFZJNVSA-N 428.460 4.003 5 20 IIBD CCc1cnccc1[C@@H](C)N[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 543053245 ZZTKBTXYBNEBDL-ZIAGYGMSSA-N 425.514 4.354 5 20 IIBD C[C@H](CNC(=O)CSc1ccccc1[N+](=O)[O-])Oc1ccccc1Br 543121047 LMZXIJSKVYLCPU-GFCCVEGCSA-N 425.304 4.033 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1ccc(F)c(Cl)c1F)c1ccccc1[N+](=O)[O-] 544817795 ZQUATMREUAUHOJ-CQSZACIVSA-N 426.803 4.339 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1-c1nc(Cc2cccc(F)c2I)no1 545146335 AJWFYHKRMDJCNK-UHFFFAOYSA-N 439.184 4.288 5 20 IIBD COc1cc(CN(C)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)ccc1OC(F)F 545228005 QQGQFORJTKVZSO-UHFFFAOYSA-N 429.807 4.200 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 545366054 GTQGNOSQKRUXRH-IAGOWNOFSA-N 428.432 4.369 5 20 IIBD Cc1c(Cc2noc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)n2)cccc1[N+](=O)[O-] 547197272 KHVNLJVJAZJXDI-INIZCTEOSA-N 430.873 4.186 5 20 IIBD O=[N+]([O-])c1cc(CNC2(Cc3ccc(F)cc3Cl)CCOCC2)c2c(c1)COCO2 549922924 GWIYHJWSUYIVCK-UHFFFAOYSA-N 436.867 4.135 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nnc(N(C)C)o2)cc1 550715065 KUMFZHKWIRMRIE-UHFFFAOYSA-N 446.261 4.034 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc3c(Cl)cccc3n2)ccc1[N+](=O)[O-] 553099217 MARLHUXXFKEFLG-LJQANCHMSA-N 438.871 4.348 5 20 IIBD C[C@]1(C2CC2)NC(=O)N(c2cccc(CNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O 553226648 XBCXZKUHRUUMIY-HXUWFJFHSA-N 448.401 4.451 5 20 IIBD CCn1c(CSc2ccc(C)cc2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 555022475 VJBLXQAPDFQSCA-UHFFFAOYSA-N 438.557 4.134 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCCN2Cc2ccccc21 556378330 YLSSLSIYDLBMTJ-OAHLLOKOSA-N 430.302 4.291 5 20 IIBD CC(C)(C)c1nc(CN2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)cs1 557141755 JNVKFBMLSUDRCK-UHFFFAOYSA-N 426.489 4.272 5 20 IIBD NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 557693362 MPIHOAUTEVFETE-HUUCEWRRSA-N 429.420 4.009 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)c1 558869161 YVONHBWYEYJXLK-UHFFFAOYSA-N 446.891 4.027 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ncc(-c4ccccn4)s3)cc2)c(C)c1[N+](=O)[O-] 561017393 PYAONGWVKDOKPS-UHFFFAOYSA-N 434.481 4.227 5 20 IIBD O=[N+]([O-])c1cc2c(N3CCC[C@@H](c4nnc5ccc(C(F)(F)F)cn45)C3)ncnc2s1 561102087 UTLVXPCWYRXYKI-SNVBAGLBSA-N 449.418 4.045 5 20 IIBD NS(=O)(=O)c1cc(N[C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1 561359185 VTMHEUYVFAECHY-IRXDYDNUSA-N 429.420 4.009 5 20 IIBD CCCNC(=O)[C@@H]1CCCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 561788498 ZAKLTGSADJZIQN-MRXNPFEDSA-N 426.473 4.157 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1 562567748 KEYSQDXCFQLKQZ-UHFFFAOYSA-N 435.665 4.962 5 20 IIBD O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCC[C@H](OCC(F)(F)F)C1 579459820 ZCGVOOSSWGGEJA-KRWDZBQOSA-N 438.402 4.357 5 20 IIBD Cn1cc([C@H]2C[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3SC3CCCC3)CCO2)cn1 590402196 BVXNYKHORQDOEQ-HNAYVOBHSA-N 430.530 4.013 5 20 IIBD O=C(CNc1ccc(Br)c(C(F)(F)F)c1)N1CCc2ccc([N+](=O)[O-])cc21 595313800 YXHYISQCMSIPAZ-UHFFFAOYSA-N 444.207 4.377 5 20 IIBD Cc1cc(C)cc(-n2c(SCCn3c([N+](=O)[O-])cnc3C)nc3ccccc3c2=O)c1 601916482 LDVNOZODAGBQSP-UHFFFAOYSA-N 435.509 4.208 5 20 IIBD Cc1sc(NC(=O)c2ccccc2S(=O)(=O)C(C)C)nc1-c1cccc([N+](=O)[O-])c1 603997902 YDKSRAJCNSWPNW-UHFFFAOYSA-N 445.522 4.461 5 20 IIBD COc1ccc(C(=O)NCC(=O)N[C@@H](CCC(C)C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 604103995 XHADJIVBHAVQFC-SFHVURJKSA-N 447.919 4.280 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCc1ccc(Br)cc1 604946256 VQBCUUWJMCAYSZ-UHFFFAOYSA-N 435.321 4.276 5 20 IIBD Cc1nn(CCC(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)c(C)c1[N+](=O)[O-] 608806562 OZGYMBOWZOZMNZ-UHFFFAOYSA-N 436.447 4.043 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H](C)C2CCN(C)CC2)cc1[N+](=O)[O-] 609583898 ZPGWPVZVDOWCJX-OAHLLOKOSA-N 441.553 4.008 5 20 IIBD Cc1cc(=O)c(C(=O)N[C@H](c2ccccc2Cl)C(C)C)nn1-c1ccccc1[N+](=O)[O-] 609645121 BZAFLSZVCAZPHA-FQEVSTJZSA-N 440.887 4.230 5 20 IIBD Cc1c(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cccc1C(=O)N1CCSCC1 610043265 ADEGBOUWAFSXKH-UHFFFAOYSA-N 427.526 4.009 5 20 IIBD CCCOc1cc(NC(=O)C(=O)NC2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])cc1OCCC 610104873 AJCROECLPWJRKC-HUUCEWRRSA-N 435.521 4.052 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(OCc2ncc(-c3ccccc3Br)o2)c1 610218099 VKMAFOMPLFOGHQ-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD O=C(NCc1ccc(Cn2cncn2)cc1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611198817 VLIXHSWXXNMBSL-UHFFFAOYSA-N 437.525 4.199 5 20 IIBD C[C@@H](N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC1)C(F)(F)F 611206636 FUGLQLMSHRHBKD-CYBMUJFWSA-N 431.480 4.338 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(OCc2ccc(F)cc2)CC1 611261846 JTGMALDIANQVSJ-UHFFFAOYSA-N 448.516 4.294 5 20 IIBD O=C(Nc1ccc(F)c(Cl)c1)C1CCN(c2ncnc3ccc([N+](=O)[O-])cc23)CC1 611705869 IKFQCQPFFYLOQG-UHFFFAOYSA-N 429.839 4.186 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 615691547 USJRXZJNXJYWKZ-MYJAWHEDSA-N 434.358 4.320 5 20 IIBD O=C(N[C@H]1COc2cc(F)cc(F)c21)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 672955254 VLEMWFVGECBTFZ-KRWDZBQOSA-N 428.341 4.101 5 20 IIBD C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 684858747 BATAHFLKKDLSFK-UWBTVBNJSA-N 432.564 4.333 5 20 IIBD C[C@@H](OC(=O)CC[C@H](O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 726870669 JHWBJDBUYPICLP-QRWLVFNGSA-N 428.485 4.276 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1OS(=O)(=O)c1cc(Br)ccc1Cl 727680412 BZKSGCOKYWPLJR-UHFFFAOYSA-N 427.059 4.432 5 20 IIBD O=C(Nc1ccccc1Br)c1ccc(I)c([N+](=O)[O-])c1 727746189 FQZMFZDOGKLJFS-UHFFFAOYSA-N 447.026 4.214 5 20 IIBD COC(=O)c1cc(C(=O)Nc2cccc(CC[C@@H](O)c3ccccc3)c2)cc([N+](=O)[O-])c1 727760372 ICTYHAWFYOODMC-JOCHJYFZSA-N 434.448 4.300 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1c(F)cccc1-n1cccn1 730197315 YMONUPJJARCCII-UHFFFAOYSA-N 437.353 4.379 5 20 IIBD O=C(OCC(=O)c1cccc([N+](=O)[O-])c1)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 731699536 XPWQQDNENIEMBM-QFIPXVFZSA-N 429.432 4.328 5 20 IIBD Cc1cccc(COc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c1 732048461 KIPGICVJALEBKD-UHFFFAOYSA-N 443.437 4.191 5 20 IIBD COc1cc(F)c([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1OC 733939103 GWXJRKPDTXWRJK-AWEZNQCLSA-N 431.464 4.232 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)O[C@@H]1CCCN(c2cccc(F)c2)C1=O 734567841 ALXWXHVXLGTAFJ-HSZRJFAPSA-N 444.462 4.033 5 20 IIBD Cc1cc(OCC(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)no1 735456963 ASHBFXRNDTVHON-UHFFFAOYSA-N 435.795 4.171 5 20 IIBD C[C@H](OC(=O)c1cccc(Oc2cnccn2)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 736925206 RRKQCGOHBBPMHU-LBPRGKRZSA-N 442.815 4.015 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc(OC2CCCCC2)c(F)cc1N 741034420 LRXGINSWHSZMRO-UHFFFAOYSA-N 445.447 4.132 5 20 IIBD O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 741739904 GDOZKCVEKWFFLY-MRXNPFEDSA-N 438.259 4.153 5 20 IIBD O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 741997009 IRAJQXJNSLIYAR-BPQIPLTHSA-N 444.509 4.061 5 20 IIBD C[C@H]1CCN(CCOc2ccc(NCc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)cc2)C1 744447747 WKMNZUWIVJZLGN-SFHVURJKSA-N 435.528 4.328 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccccc2CN(C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 745382890 KIDPYHDRFXUFEN-UHFFFAOYSA-N 435.502 4.071 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN(c2ccc(N(C)C)cc2)CC1 745869397 FIQYDEVQIWPMMA-UHFFFAOYSA-N 439.560 4.250 5 20 IIBD CSc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 748950073 YKEREEJWUSTQFA-GFCCVEGCSA-N 433.442 4.026 5 20 IIBD O=C(Nc1ccc(OC(=O)[C@@H]2CC23CCOCC3)cc1)c1cc([N+](=O)[O-])ccc1Cl 749341105 VLAGNUICOINNMP-KRWDZBQOSA-N 430.844 4.223 5 20 IIBD O=C(Nc1ccc2c(c1)OCCCO2)c1cc(Br)cc([N+](=O)[O-])c1Cl 749410882 PWVTZGLZEMOFFQ-UHFFFAOYSA-N 427.638 4.424 5 20 IIBD CCc1ccc(C(=O)Nc2cc3c(cc2NC(=O)OC(C)(C)C)OCO3)cc1[N+](=O)[O-] 750086074 SGWBZVDPIHXWAA-UHFFFAOYSA-N 429.429 4.485 5 20 IIBD Cc1cc(Br)ccc1NC(=O)COC(=O)c1cccc(Cl)c1[N+](=O)[O-] 750535553 KAWKWMNCMULQAD-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(Cc2ccccc2)C[C@@H](O)c2ccsc2)c1C 751494249 NGJDHVBUPBWSAY-HXUWFJFHSA-N 446.550 4.198 5 20 IIBD COc1ccc(CSCC(=O)OCc2ccn(-c3ccc(F)cc3F)n2)cc1[N+](=O)[O-] 753383519 BRIBZHPZRGDWSE-UHFFFAOYSA-N 449.435 4.044 5 20 IIBD Cc1nn(C)c(C)c1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 755041944 XYVFWOSIEPWJSY-UHFFFAOYSA-N 446.529 4.023 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 756747846 NGAVGSVQNCCPDN-CHWSQXEVSA-N 434.518 4.230 5 20 IIBD CC[C@@H](C)n1ncc(C(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)c1C1CC1 760980829 MOWWTTWDUXTTDE-OAHLLOKOSA-N 427.505 4.108 5 20 IIBD Cc1nn(Cc2ccc(C(=O)O[C@H](c3ncccn3)C3CCCC3)cc2)c(C)c1[N+](=O)[O-] 761405394 JJXJRVFYKNYBIJ-NRFANRHFSA-N 435.484 4.335 5 20 IIBD CN1CCN(c2ccc(C(F)(F)F)cc2CNCc2ccc([N+](=O)[O-])c(Cl)c2)CC1 761526456 MNBNYAUFIHJDSR-UHFFFAOYSA-N 442.869 4.309 5 20 IIBD CC1(CNC(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)OCCO1 769023795 PZULUDKDURFYQG-VBKFSLOCSA-N 439.493 4.014 5 20 IIBD O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1cc(F)c([N+](=O)[O-])cc1F 770653993 JITUCCSAFABBCZ-UHFFFAOYSA-N 444.356 4.370 5 20 IIBD C[C@H](NC(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)[C@@H]1CN(C)CCO1 771766142 TYWICRZBTCIZTA-XDHUDOTRSA-N 428.532 4.382 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(N3CCC[C@H](c4nc(C(F)(F)F)cs4)C3)cc2N1 771926189 CMDBJVREVBBDHY-NSHDSACASA-N 426.420 4.339 5 20 IIBD O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCCCN1C(=O)c1ccccc1 773341986 BBBPPFGPZJRNIZ-QGZVFWFLSA-N 447.285 4.095 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 775173467 RWEQSWTYZYKWBC-CYBMUJFWSA-N 433.390 4.189 5 20 IIBD COc1cc(Cl)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1I 775358620 RPYDOODVPBSSRW-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD O=C(C[C@@H](O)c1ccc(OCc2ccccc2)cc1)OCc1nc2cc([N+](=O)[O-])ccc2o1 781281011 FXUUFMNAQVJLLP-OAQYLSRUSA-N 448.431 4.482 5 20 IIBD C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)[C@H]1CCCN(C2CCC2)C1 781402316 PRFMEGKUWCTJOG-NEPJUHHUSA-N 444.757 4.394 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ncc(Cc2ccc(F)cc2F)s1 781629097 URYQSGOTHCMUSL-UHFFFAOYSA-N 448.407 4.400 5 20 IIBD CC(C)[C@@H]1C[C@H](CC(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)CCO1 781952385 UMIHLPXTBBFXOC-CBQOVEMMSA-N 446.544 4.364 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1[C@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)CC2 782464986 VWXGLCNTGSVTGY-HOCLYGCPSA-N 435.546 4.321 5 20 IIBD COc1ccc(NC(=O)COc2cc(OCc3ccccc3)ccc2C=O)c([N+](=O)[O-])c1 783926837 RCXDYDDHMKDMCY-UHFFFAOYSA-N 436.420 4.012 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)C[C@H]21 784028024 AVLDZYXQCWPLDD-DUXKGJEZSA-N 441.532 4.041 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 784527949 LTWNRKUMZYBOGZ-HNNXBMFYSA-N 430.386 4.429 5 20 IIBD CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)c1cc([N+](=O)[O-])cc(C)c1F 790139388 KHQZTPFPNXICDI-UHFFFAOYSA-N 432.839 4.397 5 20 IIBD Cc1ccc(F)cc1-c1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)s1 792537475 FRISMSPZVMZHPX-UHFFFAOYSA-N 427.461 4.413 5 20 IIBD Cc1nn(CN2C[C@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)c2ncc([N+](=O)[O-])cc12 793709167 ZXBSJDKWBUEEHF-SGTLLEGYSA-N 435.406 4.086 5 20 IIBD O=C(NC[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2OC(F)F)C1)OCc1ccccc1 795241549 JQFGMPMITJYTMW-MRXNPFEDSA-N 435.427 4.339 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1nc(Br)ccc1Br 798542183 JLJVWIYWTAEVQJ-UHFFFAOYSA-N 445.067 4.166 5 20 IIBD Cc1cncc(N(Cc2ccc(F)cc2)C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c1 799402407 QZGWSGCKMXZDFM-JOCHJYFZSA-N 434.427 4.164 5 20 IIBD CCC(CC)(CNC(=O)C(=O)Nc1c(F)ccc([N+](=O)[O-])c1C)N[C@H](C)c1ccccc1 800607420 SSLLDIZDOHDHNF-MRXNPFEDSA-N 444.507 4.007 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C1(S(=O)(=O)c3ccc(F)cc3)CCCCC1)CC2 808694256 BHHRFPZXLICTCW-UHFFFAOYSA-N 446.500 4.108 5 20 IIBD CC(C)(C(=O)OCCn1ccc([N+](=O)[O-])n1)c1csc(-c2c(F)cccc2Cl)n1 811362079 IQADJTZKSKKBPO-UHFFFAOYSA-N 438.868 4.228 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(NC2CCN(C(=O)c3ccc(C)cc3)CC2)cc1Cl 811802990 GCHLZZMLVQOGBK-UHFFFAOYSA-N 431.876 4.060 5 20 IIBD O=C(COc1cccc(Cl)c1[N+](=O)[O-])NCc1cccc(COCc2ccco2)c1 814774655 XXRMMVVVBOIJOQ-UHFFFAOYSA-N 430.844 4.253 5 20 IIBD C[C@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(C(F)(F)F)nc1Cl 817869496 DNTZEOCRFGTVCR-VIFPVBQESA-N 446.769 4.380 5 20 IIBD CC(C)(C)OC(=O)NCCN1C(=O)c2ccccc2N[C@@H]1c1cc([N+](=O)[O-])ccc1Cl 877855754 ZXKSRYJSKAVMBQ-SFHVURJKSA-N 446.891 4.339 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NCc2ccc(CN3C[C@H](C)C[C@@H](C)C3)cc2)c1[N+](=O)[O-] 917075595 JKMSGBNKCUEIGT-HZPDHXFCSA-N 442.516 4.394 5 20 IIBD CCc1cccc(N2C(=S)N[C@H](c3ccc(C)c([N+](=O)[O-])c3)C(C(=O)N(C)C)=C2C)c1 918059315 RHASHOKARVSOAL-OAQYLSRUSA-N 438.553 4.264 5 20 IIBD O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 918537894 ZQMSXRJPQZXTQY-KRWDZBQOSA-N 449.438 4.305 5 20 IIBD C[C@H](OC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1)c1cccc([N+](=O)[O-])c1 919437165 GHOXOYNBOHTMSK-NYHFZMIOSA-N 432.432 4.455 5 20 IIBD C[C@H](Sc1ccc(Br)cc1)C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] 919468417 NBSMFZHQWJBFEF-NSHDSACASA-N 439.287 4.020 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)N[C@@H](c2ccc(C)cc2)c2cccs2)c1 920704763 GHCMOWVQDFMZJN-NRFANRHFSA-N 440.477 4.036 5 20 IIBD O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CCc2c(ncn2-c2ccccc2)C1 929078972 WZUDFNVCVKMDNH-UHFFFAOYSA-N 425.448 4.041 5 20 IIBD COc1ccc2c(c1)c(C(=O)OCC(=O)Nc1c(C)cccc1[N+](=O)[O-])c(C)n2C1CC1 1317912898 FPXUQZXBQMMJBT-UHFFFAOYSA-N 437.452 4.305 5 20 IIBD O=[N+]([O-])c1ccc(NS(=O)(=O)c2c(F)cccc2Br)cc1C(F)(F)F 1325158685 GAVXLRRKUGPFQS-UHFFFAOYSA-N 443.172 4.316 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@H]3Cc4ccc(C)cc4S3)CC2)ccc1[N+](=O)[O-] 1343346741 DXJQYKJRADABGT-OAQYLSRUSA-N 428.510 4.141 5 20 IIBD O=C(O[C@@H]1CCCS(=O)(=O)C1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 1347170287 HRFCOYJDGBRTIT-CQSZACIVSA-N 441.914 4.133 5 20 IIBD CCc1cc(OCC(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)ccc1Cl 1356002774 DLZYNFNNVCOLSV-UHFFFAOYSA-N 433.892 4.044 5 20 IIBD CC(=O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(F)c3[N+](=O)[O-])CCC2)cc1 1786279337 LZODJTJQHKOUKX-UHFFFAOYSA-N 441.459 4.097 5 20 IIBD CC(C)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)CC2 1825135648 OYYDZLCXKMJSQQ-INIZCTEOSA-N 444.557 4.032 5 20 IIBD Cc1cc(CCCC(=O)N2CC3(CCCN3C(=O)CCC3CCC3)C2)c([N+](=O)[O-])cc1F 1841492936 WZGLEVOXZBEVFJ-UHFFFAOYSA-N 445.535 4.149 5 20 IIBD O=C([C@@H]1CCC[C@@H]2CCCC[C@@H]21)N1CC2(CCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])C1 1845405543 BPEDMBQKLHMGND-OKZBNKHCSA-N 443.519 4.157 5 20 IIBD Cc1c(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccsc2)C3)cc(Cl)cc1[N+](=O)[O-] 1845498800 UDUKYWSEXORFPS-ONEGZZNKSA-N 445.928 4.149 5 20 IIBD O=C(c1cccc2ccccc12)N1CC2(CCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 1847057332 HBBXGTCACNBFQU-BUHFOSPRSA-N 441.487 4.278 5 20 IIBD COc1ccc(CC(=O)O[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)cc1 10716454 BMUBOYRFPVECOT-HSZRJFAPSA-N 434.448 4.378 5 20 IIBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H](CCCc1ccccc1)c1ccccc1 11078387 TVCRLQPRUAPZFJ-QHCPKHFHSA-N 431.492 4.205 5 20 IIBD COc1cc(NC(=O)c2ccc([N+](=O)[O-])s2)c(OC)cc1NC(=O)c1ccccc1 11651969 WZLFSMAGPWBEBX-UHFFFAOYSA-N 427.438 4.178 5 20 IIBD Cc1ccc(NC(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@H]3C)cc2)cc1[N+](=O)[O-] 15409715 GWYNJILFAYJJST-IAGOWNOFSA-N 425.485 4.324 5 20 IIBD Cc1nn(-c2ccccc2)c(Cl)c1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 21157538 LJAUGJUZEAACRX-UHFFFAOYSA-N 449.250 4.191 5 20 IIBD Cc1cc(OCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)ccc1[N+](=O)[O-] 21589372 FGBJEXXZLCXILJ-UHFFFAOYSA-N 440.477 4.348 5 20 IIBD COc1ccc(CSCC(=O)Nc2cccc(OCC(F)(F)F)c2)cc1[N+](=O)[O-] 27076359 SLKIFOBDHNRXNX-UHFFFAOYSA-N 430.404 4.416 5 20 IIBD O=C(OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1csc(-c2ccc(Cl)cc2)n1 28164611 IJBSJCCURXYDCP-UHFFFAOYSA-N 443.868 4.118 5 20 IIBD Cc1ccc(S(=O)(=O)NCc2ccc(COCc3ccccc3)cc2)cc1[N+](=O)[O-] 32441781 XTPYDKFOKGYRBY-UHFFFAOYSA-N 426.494 4.099 5 20 IIBD COc1ccc(CSCC(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)cc1[N+](=O)[O-] 61502823 IHNNISJWZMWOOH-NRFANRHFSA-N 443.569 4.098 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)cccc1[N+](=O)[O-] 62000013 BEHMIOJBGWIRQJ-QFIPXVFZSA-N 429.432 4.494 5 20 IIBD CNC(=O)c1ccc(Sc2nnc(-c3ccncc3)n2-c2ccccc2C)c([N+](=O)[O-])c1 64905310 UOHLVSLLNXTFJX-UHFFFAOYSA-N 446.492 4.057 5 20 IIBD C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 65140535 QSRQMLFPHDZMSG-TZIWHRDSSA-N 425.532 4.106 5 20 IIBD COc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 72068098 XMOPECSHGAURPQ-UHFFFAOYSA-N 444.447 4.474 5 20 IIBD O=C(Cn1ccc([N+](=O)[O-])n1)N(CCc1ccccc1)c1nc(-c2ccccc2)cs1 107827561 VBKSYWSDQVIJDH-UHFFFAOYSA-N 433.493 4.191 5 20 IIBD C[C@H](NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1)c1cccc([N+](=O)[O-])c1 108290244 VIXCWRTXYIPREJ-AWEZNQCLSA-N 436.917 4.212 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)Cn1ccc2ccc(Cl)cc21)c1ccccc1[N+](=O)[O-] 108785985 CAVPNBBRVATPPQ-GOSISDBHSA-N 443.887 4.402 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(N3CCCCC3)cc2)ccc1[N+](=O)[O-] 110315633 RSXPWBLZHWKVJP-JOCHJYFZSA-N 436.512 4.137 5 20 IIBD CCNc1ccc(C(=O)N[C@H](c2ccccc2)c2nc3ccccc3n2C)cc1[N+](=O)[O-] 116147728 MRZQUDYUZXJOKQ-JOCHJYFZSA-N 429.480 4.433 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CSc3nnc(NCCc4ccccc4)s3)n2)cc1 117232015 BLDOMRWJONNBLJ-UHFFFAOYSA-N 440.510 4.443 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c1Br 381029661 WTTLECJHYRVNRA-DLBZAZTESA-N 431.334 4.019 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)c1ccc(S(C)(=O)=O)cc1 409736248 IHNAKXQZYPBTHN-UHFFFAOYSA-N 426.450 4.067 5 20 IIBD C[C@H]1CCCCN1C[C@@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 426264017 PDKAMGINOAROFF-HOTGVXAUSA-N 442.482 4.410 5 20 IIBD O=C(NC1CC1)c1ccc(N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c([N+](=O)[O-])c1 428693411 ZGJBSTZMDLQQDI-GOSISDBHSA-N 425.876 4.358 5 20 IIBD C[C@@H](C1CC1)n1cc(NC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cn1 429647621 RLQUNHJMQCMLKU-NSHDSACASA-N 426.399 4.015 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CNC1(c2cccc(OC(F)(F)F)c2)CCOCC1 430247640 WBGKNHABDKQZDE-UHFFFAOYSA-N 426.391 4.298 5 20 IIBD Cc1ccc(C[C@@H](C)N(C)C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc1 430302505 HPUUPRYHRXNYHD-CYBMUJFWSA-N 448.317 4.002 5 20 IIBD CCCn1ccnc1CCCN(C)C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 430506447 WTSHQCNQPRFKQK-UHFFFAOYSA-N 427.549 4.142 5 20 IIBD C[C@H]1C[C@@H](N(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCN1Cc1ccccc1 431494386 LIWFSWSFQAZNQI-KXBFYZLASA-N 446.345 4.482 5 20 IIBD COCCOc1c(Cl)cccc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 431814267 WKVAIIOOOMMWBS-UHFFFAOYSA-N 429.654 4.288 5 20 IIBD C[C@@H]1CN(CCCNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CCCO1 432581659 SBXSUPYSIZLBPD-QGZVFWFLSA-N 435.590 4.108 5 20 IIBD COc1cc(NC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c(C)cc1C 434899854 KNDVORJXPPKRNY-GOSISDBHSA-N 429.473 4.425 5 20 IIBD C[C@H]1CN(C(C)(C)CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C[C@H](C)O1 440421713 KMOUEIVBTHKBFK-IRXDYDNUSA-N 443.569 4.364 5 20 IIBD O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ncc(-c4ccccc4Br)o3)C2)nc1 440488402 BQCVEPBYLIIFLK-ZDUSSCGKSA-N 444.289 4.094 5 20 IIBD Cc1c(NC(=O)NCc2ccncc2OCC(F)F)cc(Br)cc1[N+](=O)[O-] 441761968 MPOUBVFQLYMRBJ-UHFFFAOYSA-N 445.220 4.026 5 20 IIBD CN1CCc2nc(NC(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])sc2C1 442293692 PIRXHSUCVCPMHX-UHFFFAOYSA-N 426.523 4.443 5 20 IIBD Cc1ccccc1[C@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@@H](C)CO1 444185024 QJFAVUULNDKBHU-IFXJQAMLSA-N 448.317 4.066 5 20 IIBD Cc1csc(NC2CCN(C(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)CC2)n1 444340254 QOTBESPIBNKTSX-UHFFFAOYSA-N 436.512 4.302 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N(Cc1cccc(Br)c1)C1CC1 446894337 LKXOBMQATJSPIX-UHFFFAOYSA-N 444.289 4.108 5 20 IIBD CC1(C)CC(=O)c2sc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)nc2C1 446966908 QELFQCINBINGJZ-UHFFFAOYSA-N 449.432 4.026 5 20 IIBD Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)cccc1C(F)(F)F 446990171 PVFGWYSUFVEQEM-UHFFFAOYSA-N 439.209 4.485 5 20 IIBD O=C(CCCC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccc(Br)cc1 461403964 FFSLBKVLSMMQKW-UHFFFAOYSA-N 447.285 4.132 5 20 IIBD CC(C)N(Cc1cccc(F)c1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 461647684 NXGNNUBTXOTALV-SFHVURJKSA-N 439.491 4.444 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)c(Cl)c1Cl 462357578 BYUOOBIONGEJAV-UHFFFAOYSA-N 428.253 4.259 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(N[C@H](C)c2ccccc2)CCOCC1 462999494 YBYNENNXFAUMBR-CTNGQTDRSA-N 439.556 4.180 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3C[C@H]4CCC(=O)c5cccc3c54)cc2)c(C)c1[N+](=O)[O-] 464454022 WIDZUIXPZWYNLE-GOSISDBHSA-N 430.464 4.177 5 20 IIBD COc1cc(CN(C(=O)NCCc2ccccc2[N+](=O)[O-])C2CC2)ccc1OC(F)F 466152463 DWJRJXLGRYAXCI-UHFFFAOYSA-N 435.427 4.122 5 20 IIBD Cc1ccc(CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(OC[C@@H]2CCCO2)c1 466550086 BUHOXZDNEBOCEQ-PXNSSMCTSA-N 427.501 4.330 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCCOc2ncccc2Cl)cc1[N+](=O)[O-])c1ccccn1 472231576 SUWLDNNCJRLMOK-CQSZACIVSA-N 441.875 4.020 5 20 IIBD CCc1ccc(-c2noc([C@H](C)NC(=O)c3ccc(Br)cc3[N+](=O)[O-])n2)cc1 472365562 BZHOLXCWYPQDGO-NSHDSACASA-N 445.273 4.461 5 20 IIBD COc1ccc(CNC(=O)C(=O)Nc2cc(-c3ccccc3)ccc2Cl)cc1[N+](=O)[O-] 472536679 FJSROIASOSSRGH-UHFFFAOYSA-N 439.855 4.179 5 20 IIBD O=C(NC[C@H](O)C(F)F)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 475219231 ZWQNCTFIULQMIT-LBPRGKRZSA-N 436.358 4.121 5 20 IIBD CCC(=O)[C@@H]1CCCCN1C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 477620033 DRUVDSOGXQAADP-KRWDZBQOSA-N 441.450 4.190 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCC(O[C@H]2CCOC2)CC1 481117355 WOHNDIIHXKQINV-IBGZPJMESA-N 446.887 4.451 5 20 IIBD Cc1c(CNC(=O)c2cn(C3CC3)c3cc(Cl)c(F)cc3c2=O)cccc1[N+](=O)[O-] 481464844 IEUZEAXXCAJDNX-UHFFFAOYSA-N 429.835 4.276 5 20 IIBD CC[C@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 481644040 LJNCSLSAWQXXLB-GUYCJALGSA-N 425.938 4.267 5 20 IIBD CCOc1cc(NC(=O)c2nn(-c3ccccc3)cc2OCC)c([N+](=O)[O-])cc1OCC 481934329 XYBTYYNWZZULRO-UHFFFAOYSA-N 440.456 4.229 5 20 IIBD CCc1c(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cnn1-c1ccccc1Cl 482714320 OUJCGCTUYHZNNR-UHFFFAOYSA-N 436.859 4.434 5 20 IIBD Cc1c(NC(=O)CCN[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)cccc1[N+](=O)[O-] 483253384 KONUUCXUDFJULV-INIZCTEOSA-N 445.825 4.227 5 20 IIBD Cc1nn(C)cc1[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 484816703 DKZMHYUZXPTLLE-ZDUSSCGKSA-N 427.892 4.393 5 20 IIBD Cc1cc(NC(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)n(-c2ccc([N+](=O)[O-])cc2)n1 486505424 OQAWYJZCCPDBOY-UHFFFAOYSA-N 449.448 4.193 5 20 IIBD Cc1cc(-c2noc([C@H](C)NC(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])n2)ccc1F 487822988 YETYZHBETRNOEE-LBPRGKRZSA-N 447.854 4.349 5 20 IIBD C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 488043683 OBJKLVLCRJRMKK-KRWDZBQOSA-N 441.553 4.071 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] 489230891 BFVBCEMZDKTQGM-INIZCTEOSA-N 440.521 4.379 5 20 IIBD C[C@H]1C[C@H]1c1cc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n[nH]1 490250954 SATBFWVBANDRHR-SMDDNHRTSA-N 437.422 4.315 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc2nc(N3CCCC3)sc2c1 491088944 KYJBEJKVDWTSBL-UHFFFAOYSA-N 438.918 4.259 5 20 IIBD CN1CC[C@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 493919854 KFWTZXBWFXFYRW-QRWLVFNGSA-N 433.911 4.474 5 20 IIBD O=C(NCc1ccnc(N2CCCCC2)c1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 494325595 CYTXBRSAATTWKH-UHFFFAOYSA-N 446.507 4.489 5 20 IIBD COC(=O)c1cc(C(=O)N(C)Cc2cc(Br)ccc2Cl)cc([N+](=O)[O-])c1 494856046 IOKSBDMCVMBFAE-UHFFFAOYSA-N 441.665 4.070 5 20 IIBD CCC1(CO)CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CC1 497341371 KLWAMXANAHMZLT-UHFFFAOYSA-N 431.920 4.485 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OC)c(OCC(F)(F)F)c2)cc1OC 497411614 LPAWKYQHOOLKAE-UHFFFAOYSA-N 444.362 4.204 5 20 IIBD CNC(=O)c1cc(Oc2cccc(Oc3ncc(Br)cc3[N+](=O)[O-])c2)ccn1 499670615 NDGGMEZOUDUZAI-UHFFFAOYSA-N 445.229 4.092 5 20 IIBD Cc1cc(=NCc2ccc(NC(=O)c3cccnc3)cc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 500504390 PKSACJLLVNKUJX-UHFFFAOYSA-N 440.463 4.042 5 20 IIBD CCCN(CCC)C(=O)c1ccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1 502564333 FOGVLEWTOAYARL-UHFFFAOYSA-N 435.484 4.295 5 20 IIBD C[C@H]1CCCCN1C[C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 505919596 STJVTUTZOYAOOQ-DLBZAZTESA-N 428.558 4.445 5 20 IIBD CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)C1 508802200 PZPWOILIKXDNRV-CJNGLKHVSA-N 430.530 4.250 5 20 IIBD COc1ccccc1N1CC[C@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 509704714 QGZMYMAXMKZCKH-LJQANCHMSA-N 426.517 4.050 5 20 IIBD COc1ccc(CN(CC2CCC2)C(=O)NCc2cc([N+](=O)[O-])ccc2OC)c(OC)c1 510896252 KGADSEFHBXEORV-UHFFFAOYSA-N 443.500 4.133 5 20 IIBD O=C(Nc1cc2ccc(Br)cn2n1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 511366397 TYQWKCDTABOHLK-UHFFFAOYSA-N 444.270 4.381 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1sc2c(c1C(=O)c1ccc(F)cc1)CCC2 511514731 JJYSMCHUSAOTIO-UHFFFAOYSA-N 442.472 4.049 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](CCO)c1ccc(Cl)c(Cl)c1 512163691 GXCUIOWETOBUEP-KRWDZBQOSA-N 426.300 4.252 5 20 IIBD CC(C)c1ccc(CC2CCN(C(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)CC2)cc1 513665660 GUCCLAUDYVTZFU-UHFFFAOYSA-N 444.553 4.217 5 20 IIBD CCN(C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 514396445 BZZGVWFZNUJLGA-UHFFFAOYSA-N 449.532 4.424 5 20 IIBD O=C(NCC1(c2ccc(F)cc2)CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 516720992 YTOUBRLNTLBGAX-UHFFFAOYSA-N 433.867 4.344 5 20 IIBD COCCc1noc(-c2cc(Cl)ccc2NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)n1 518008166 SQRIJIXQMFFOQB-NSHDSACASA-N 448.838 4.368 5 20 IIBD C[C@@H]1CCCN(CCCCNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 518029312 ONOSPELPVAVXNQ-RTBURBONSA-N 439.560 4.405 5 20 IIBD CN(CCn1cccn1)C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 518395019 CGBLCQKVPFPQRR-UHFFFAOYSA-N 439.522 4.324 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCc3ncc(-c4ccccc4)o3)cc2)c(C)c1[N+](=O)[O-] 521203774 MYAOWCGSSQDXND-UHFFFAOYSA-N 431.452 4.041 5 20 IIBD C[C@@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)COCc1ccccc1 522620276 XQQRVXXJSKPCHZ-HNNXBMFYSA-N 428.876 4.059 5 20 IIBD CC[C@H](C)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)Nc1cccc(N2CCCC2)c1 524334444 XJXAELVNLYIJCN-AOMKIAJQSA-N 438.528 4.287 5 20 IIBD O=C(CSc1nnc(-c2cccc3ccccc23)o1)N1CCc2ccc([N+](=O)[O-])cc21 525004832 HGVKBPZKTBVKLA-UHFFFAOYSA-N 432.461 4.479 5 20 IIBD COc1ccc(C[C@H](C)CNC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 533991635 GLYMWIPNHXDISW-INIZCTEOSA-N 436.512 4.074 5 20 IIBD Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br 534463584 UKALYCLCZRVFBC-HNNXBMFYSA-N 443.301 4.320 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C3)cs1 536688804 YWNVJAPPDNMFMQ-UHFFFAOYSA-N 435.552 4.144 5 20 IIBD O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 538050179 HXCXBTHZAWRTCA-PXNSSMCTSA-N 433.867 4.248 5 20 IIBD O=C(N[C@@H]1CCCOc2cc(F)ccc21)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 538555687 UZBHHMSCNYAQIU-HXUWFJFHSA-N 429.448 4.201 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C3)cs1 538941994 YLTLKMUDGMJMFY-UHFFFAOYSA-N 435.552 4.144 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1SC 539152699 LUFCOEGJAGTYLU-KSSFIOAISA-N 440.880 4.378 5 20 IIBD O=C(N[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 539696163 BZWLAGNEMABINA-SJORKVTESA-N 445.401 4.260 5 20 IIBD COc1cc(C(=O)N(C)C[C@@H](O)C(F)(F)F)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 540882109 IYLQKQBUDGYPMU-MRXNPFEDSA-N 448.781 4.044 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 541706316 SPEDXPPCHFHGAG-DYVFJYSZSA-N 425.363 4.377 5 20 IIBD CCc1ccc([C@@H](NC[C@@]2(O)CCN(Cc3ccccc3)C2)c2ccc([N+](=O)[O-])cc2)o1 542470499 ISUMPXUHNKYQIF-DQEYMECFSA-N 435.524 4.066 5 20 IIBD O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 542926269 PDAUMKPBCLGRRL-UHFFFAOYSA-N 436.795 4.070 5 20 IIBD Cc1cc(C(=O)NCC(=O)N(Cc2ccccc2)[C@@H](C)c2cccs2)ccc1[N+](=O)[O-] 542986372 VQDHNMJGYPPPTA-KRWDZBQOSA-N 437.521 4.485 5 20 IIBD O=[N+]([O-])c1ccccc1/C=C\c1nc(CS(=O)(=O)c2cc(Cl)ccc2Cl)no1 545529619 XXGVQRRVWMECFI-YVMONPNESA-N 440.264 4.429 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCCC[C@@H]2CCCCO2)c([N+](=O)[O-])c1 546879748 JKWDJXMPLFOKNC-KRWDZBQOSA-N 426.469 4.374 5 20 IIBD NC(=O)c1ccc(SCc2nc(-c3ccc(C(F)(F)F)c(F)c3)no2)c([N+](=O)[O-])c1 547110265 NZEPDGRGFUDMMS-UHFFFAOYSA-N 442.350 4.194 5 20 IIBD CC(C)OC(=O)C[C@H]1CCCN(C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)C1 547358979 YGMZLZDRFPQXMJ-GUDVDZBRSA-N 445.560 4.271 5 20 IIBD CC(C)[C@H]1C[C@@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)CCO1 552854084 WSKIMRUBHVZSPN-XJKSGUPXSA-N 449.554 4.066 5 20 IIBD O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)N1CCOc2ccc([N+](=O)[O-])cc2C1 554960327 MCLLDGMILCRAHO-UHFFFAOYSA-N 425.441 4.453 5 20 IIBD CCn1c(CCCc2cccs2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 555091477 GKECONZYUIRFAN-UHFFFAOYSA-N 441.557 4.491 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 558011134 DCYOMKSBCQTOPK-GOEBONIOSA-N 436.917 4.044 5 20 IIBD CCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1ccccc1Br 558063336 ICRIWXJOWRFBJB-UHFFFAOYSA-N 436.306 4.217 5 20 IIBD COC(=O)c1cc(F)c(Br)cc1NC(=O)c1cc(SC)ccc1[N+](=O)[O-] 569288013 UZTUWCMDPQBTMU-UHFFFAOYSA-N 443.250 4.257 5 20 IIBD C[C@H]1CCc2c(sc3nc([C@H](C)N4CCOc5ccc([N+](=O)[O-])cc5C4)nc(O)c23)C1 574203102 MVJMRWFUDDREOH-STQMWFEESA-N 440.525 4.386 5 20 IIBD Cc1cc(S(=O)(=O)n2cc(-c3cccc([N+](=O)[O-])c3)cn2)c(C)cc1Br 583399245 FWEDIFYBZVAMHC-UHFFFAOYSA-N 436.287 4.075 5 20 IIBD C[C@@H](NC(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1)C(F)(F)F 588905724 VFQFDWHUAYZJNP-CYBMUJFWSA-N 442.463 4.101 5 20 IIBD CCOC(=O)c1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])ccc1Cl 604443651 HHDVTZAIQIXTOL-JTQLQIEISA-N 427.240 4.484 5 20 IIBD COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)NCc1cccc([N+](=O)[O-])c1 608782716 CKYLUOCCEJLNRY-KRWDZBQOSA-N 434.290 4.413 5 20 IIBD O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1Cc1nnc(-c2c(Cl)cccc2Cl)o1 608801497 PMGWQGUXVLTFHG-UHFFFAOYSA-N 444.234 4.224 5 20 IIBD CC(=O)CCc1ccc(O[C@@H](C)C(=O)Nc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)cc1 608962806 ZUWYWNZPPYFRBU-KRWDZBQOSA-N 436.468 4.017 5 20 IIBD O=C(Nc1ccc(OCc2cccc(F)c2)c(F)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 609127937 ICXWFWQHLCKKLB-UHFFFAOYSA-N 428.347 4.433 5 20 IIBD Cc1cc(-c2csc(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)n2)c(C)o1 609501198 XQPUHPSFQCYXSS-CQSZACIVSA-N 446.510 4.233 5 20 IIBD Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)n(-c2cccc(C(F)(F)F)c2)n1 609657599 CJNLFYZDBIJQOJ-UHFFFAOYSA-N 440.403 4.217 5 20 IIBD CSc1cccc(NC(=O)[C@@H](C)SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c1 609770303 KZAWZFKBJICDOM-CYBMUJFWSA-N 447.538 4.375 5 20 IIBD O=C(NCc1cc(F)ccc1F)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 609857954 SQCFCEZMYNVHCG-UHFFFAOYSA-N 427.194 4.296 5 20 IIBD CCOC(=O)c1ccnc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c1[N+](=O)[O-] 609963492 RGYBDALSRVJBCK-HNNXBMFYSA-N 426.256 4.051 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1 609981167 CXDOXTWVRWEGKZ-UHFFFAOYSA-N 426.450 4.351 5 20 IIBD O=C1c2cc(Cl)ccc2N[C@@H](c2cc3c(cc2[N+](=O)[O-])OCCO3)N1c1ccncc1 610285256 GRPIHOLARVJJJO-HXUWFJFHSA-N 438.827 4.186 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(COC(C)(C)C)cc2)ccc1[N+](=O)[O-] 610624706 XKFIBZFQNCVELU-NRFANRHFSA-N 439.512 4.462 5 20 IIBD CCc1ccc([C@H](C)NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1 725985323 KQVQLEOCQFOXBB-QWHCGFSZSA-N 449.301 4.342 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 726142411 IUOCXQMPFMCSCO-UHFFFAOYSA-N 446.503 4.392 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2cccc(SC(F)F)c2)ccc1[N+](=O)[O-] 727344885 KXDRIAAFSNLSKM-KRWDZBQOSA-N 435.452 4.461 5 20 IIBD CON(C)C(=O)c1ccc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 729249538 FEOIHYSKYVUIDZ-OAHLLOKOSA-N 449.467 4.049 5 20 IIBD COc1ccc([C@@H](OC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C)n2cccn2)cc1 729801686 BSPHSTRVHGWUJH-ZHRRBRCNSA-N 447.451 4.145 5 20 IIBD O=Cc1ccc(OCC(=O)OCc2csc(-c3ccc(Cl)cc3)n2)c([N+](=O)[O-])c1 731733343 GYERWAQALBXFAU-UHFFFAOYSA-N 432.841 4.306 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(-c2nc(C3CCCC3)no2)cc1 731794401 WFROPFISGVJXGW-UHFFFAOYSA-N 429.454 4.379 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1F 732524843 OEUIBAAVKJXBMY-UHFFFAOYSA-N 425.438 4.190 5 20 IIBD COc1ccc(C2=N/C(=C\c3ccc(Oc4cccnc4)c(C)c3)C(=O)O2)cc1[N+](=O)[O-] 732726989 ZECCUOSHDNHDCU-WQRHYEAKSA-N 431.404 4.444 5 20 IIBD O=C(OCc1nc(-c2ccc(Br)s2)no1)c1cc2cc([N+](=O)[O-])ccc2[nH]1 734030340 ZYHXTKUVKLXLMT-UHFFFAOYSA-N 449.242 4.307 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H](O)c2ccc(OC(C)C)cc2)CC1 734870967 LAMSYNBCKDGFQZ-HSZRJFAPSA-N 441.528 4.082 5 20 IIBD C[S@@](=O)CCNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2 735052319 WUIUERAMMIKGKT-LHYBPEEOSA-N 449.532 4.128 5 20 IIBD O=C(Nc1ccc(NCc2cc(F)ccc2[N+](=O)[O-])c(C(F)(F)F)c1)[C@H]1CCCO1 742259182 OOFHSMDWYPQSEV-QGZVFWFLSA-N 427.354 4.482 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 743342297 HWEFIJVANVOUDS-UHFFFAOYSA-N 427.438 4.207 5 20 IIBD C[C@]1(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCc2ccccc2C1 745668336 JQMHKXDHBBXANF-FQEVSTJZSA-N 436.386 4.291 5 20 IIBD O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 745749839 OQBKXTJUDUPRAN-OAHLLOKOSA-N 438.223 4.119 5 20 IIBD COC(=O)c1ccc([C@@H](OC(=O)CSc2ccc([N+](=O)[O-])cc2)C(F)(F)F)cc1 747214982 OFLQEISGPKKZHY-MRXNPFEDSA-N 429.372 4.320 5 20 IIBD C[C@H](c1nnc(SC[C@H](O)c2cccc([N+](=O)[O-])c2)n1-c1ccc(Cl)cc1)N(C)C 749637940 FWAYICJFXLGQIF-ACJLOTCBSA-N 447.948 4.277 5 20 IIBD CC[C@@H](Oc1cccc(C)c1)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 750404115 FAUSWQZTWOKRHH-QGZVFWFLSA-N 440.374 4.261 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CCO[C@H](c2ccccc2)C1 750844333 XWGPANIRVCSSIM-HNNXBMFYSA-N 425.666 4.224 5 20 IIBD O=C(OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cc(-c2ccccn2)ccc1Cl 754996196 BPGBQXVADAMMBC-UHFFFAOYSA-N 437.839 4.056 5 20 IIBD O=C(NCC1(c2ccccc2)CCOCC1)Nc1ccc(Br)c([N+](=O)[O-])c1 755021330 DVUJRQCEHOUFJK-UHFFFAOYSA-N 434.290 4.227 5 20 IIBD COC(=O)c1cccc(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c1Br 755507073 YFAUVAMRECPMKT-UHFFFAOYSA-N 442.653 4.119 5 20 IIBD COc1cc(OCC(=O)OCc2nc(C)c(-c3ccc(Cl)cc3)o2)ccc1[N+](=O)[O-] 757060465 NIKHAODNQUXYHG-UHFFFAOYSA-N 432.816 4.342 5 20 IIBD C[C@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc12)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 759800411 KOAPMEDJAWLMSY-SCLBCKFNSA-N 439.472 4.312 5 20 IIBD Cc1c(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)cccc1-c1nnc2n1CCCCC2 763406300 LQSHWQLNAKTDDU-UHFFFAOYSA-N 427.411 4.419 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1cc(Cl)ccc1C 763810788 OKBWGMKHMPCOKD-UHFFFAOYSA-N 438.889 4.091 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)Nc1cccc(Cl)c1 763810896 QZURTGGJTFUEEO-GFCCVEGCSA-N 438.889 4.171 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)Nc1c(C)cc(C)cc1C 763811866 UPSNYLNMZQZCFN-MRXNPFEDSA-N 446.525 4.443 5 20 IIBD CCCN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C1CCN(C(=O)c2ccccc2)CC1 764220601 IDBAQVLPMYZZHB-UHFFFAOYSA-N 429.904 4.405 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Oc1cc(C(=O)N2CCSCC2)ccc1C 765019984 NTVOUGBVHPWYCU-GOSISDBHSA-N 442.537 4.267 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)C(F)(F)F 768740640 CRYJPCFNEURYRW-QUCCMNQESA-N 434.418 4.324 5 20 IIBD COc1cccc([C@H](O)CN(Cc2ccccc2)Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 769733223 KYWUXUOTCLDXCS-HSZRJFAPSA-N 432.480 4.216 5 20 IIBD C[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(S(=O)(=O)NCc2ccco2)cc1 773038005 YQDCPBDWPCDSIK-AWEZNQCLSA-N 449.916 4.171 5 20 IIBD CN(C(=O)COC(=O)c1cn(Cc2ccccc2)c2ccccc12)c1ccc([N+](=O)[O-])cc1 774179029 NALLNOMQJFHYOB-UHFFFAOYSA-N 443.459 4.418 5 20 IIBD O=C(OCc1coc(-c2ccc(Cl)cc2)n1)c1cccc([N+](=O)[O-])c1N1CCOCC1 776451685 YJCFIBZHLPIFKI-UHFFFAOYSA-N 443.843 4.097 5 20 IIBD Cc1cc(Cl)ccc1NC(=O)COc1cc([N+](=O)[O-])ccc1I 780345489 JNCOEHYAIZPKNG-UHFFFAOYSA-N 446.628 4.179 5 20 IIBD CC(C)n1cc2c(n1)[C@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])CCC2 780397034 HPRUXGNOXCBNBZ-CQSZACIVSA-N 432.424 4.155 5 20 IIBD CC1(NC(=O)OC(C)(C)C)CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 780636511 DRIVIFKKYXDSFV-UHFFFAOYSA-N 442.516 4.452 5 20 IIBD COc1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)cc1[N+](=O)[O-] 782813433 DWTIFCCXNODVMO-KRWDZBQOSA-N 435.864 4.461 5 20 IIBD C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 784088306 LHXBFVYEFNMCFW-TZMCWYRMSA-N 443.953 4.245 5 20 IIBD CCOc1ccc(NC(=O)COc2cc([N+](=O)[O-])ccc2Br)cc1OCC 786745497 JAYRVRYPPCXAPL-UHFFFAOYSA-N 439.262 4.172 5 20 IIBD C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 789648287 NFJXNOKKTFSUEX-NWDGAFQWSA-N 449.847 4.192 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1 789907913 KEDJWYUGQZBBAO-HXUWFJFHSA-N 448.458 4.228 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 791975342 NRYOFOMDNQJTEE-SWLSCSKDSA-N 429.192 4.261 5 20 IIBD Cc1c(F)cccc1NC(=O)CCN1CCc2c(Br)ccc([N+](=O)[O-])c2C1 792899894 CHWPZQXWWNIDHM-UHFFFAOYSA-N 436.281 4.192 5 20 IIBD COc1c(C(=O)N(Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)cccc1[N+](=O)[O-] 793727776 KOOJDOQVMHNXSR-VWLOTQADSA-N 432.476 4.080 5 20 IIBD COc1cc([N+](=O)[O-])ccc1COC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 797476277 QAHJKZGOYBZJEJ-UHFFFAOYSA-N 440.358 4.233 5 20 IIBD CCCOc1ccccc1Oc1ncccc1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N 801824316 DBCFRNFEEZKQHI-UHFFFAOYSA-N 440.431 4.222 5 20 IIBD CO[C@H](C)CN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 804841276 XNBXJJACNJIYJY-GOSISDBHSA-N 425.529 4.161 5 20 IIBD O=C(OCc1c(F)cc([N+](=O)[O-])cc1F)c1cccc(-c2noc(C(F)(F)F)n2)c1 805633009 BIYKEXUCYBEDMN-UHFFFAOYSA-N 429.257 4.299 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ccnc(C(F)(F)F)c2)cc1)c1cccc([N+](=O)[O-])c1 807952483 JIUXHFPQNYUFBT-UHFFFAOYSA-N 431.326 4.480 5 20 IIBD Cc1nn(C)c(C)c1CCC(=O)Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1 809751733 JNDNDMHSGVFLAP-UHFFFAOYSA-N 447.447 4.257 5 20 IIBD C[C@@H](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1cccc(S(=O)(=O)N(C)C)c1 809972623 XUJAAQMUDOFYNR-LLVKDONJSA-N 432.329 4.003 5 20 IIBD O=C(Nc1cc(F)c(F)cc1N1CCCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 810309020 JGKMAXKRYYBHDS-UHFFFAOYSA-N 445.470 4.217 5 20 IIBD CCc1cc(=N[C@@H](C)c2ccc(N3CCCNC3=O)cc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 812487995 YVORTHZXOFOIMC-INIZCTEOSA-N 446.511 4.129 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCCn2c(cc3ccccc32)C1 813789704 BEFFVSRIDKHKDY-UHFFFAOYSA-N 432.249 4.497 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCc2ccc(C(F)(F)F)cc2C1 864023405 VKTDRXVGXARPCU-UHFFFAOYSA-N 436.358 4.173 5 20 IIBD O=C(Nc1ccc(C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1)c1ccccc1 914900065 AKJMOSPVEPPPIF-UHFFFAOYSA-N 444.403 4.254 5 20 IIBD CCCCOc1ccc(OC)cc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 915344114 QEUBNKLPZRWDQE-UHFFFAOYSA-N 428.489 4.136 5 20 IIBD CCc1cc2oc(=O)cc(COC(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)c2cc1Cl 915525368 XVLPYRYCFVQDJQ-UHFFFAOYSA-N 441.827 4.010 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Oc2cccc(S(C)(=O)=O)c2)cc1 916083863 FFAJEYPEBLYDEN-UHFFFAOYSA-N 443.433 4.018 5 20 IIBD CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 917262788 DHECNGVQTZCNJY-ZDUSSCGKSA-N 440.408 4.090 5 20 IIBD CC(C)(C)OC(=O)N1CCCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 917391118 MBEHDSFPXCRLQX-UHFFFAOYSA-N 425.485 4.273 5 20 IIBD COc1ccccc1OCCN(C)C(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 917818941 BBCGRKYBVLQXPD-ROUUACIJSA-N 441.528 4.237 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)N(Cn1nc(-c3ccncc3)n(Cc3ccccc3)c1=S)CC2 919947758 OAWUDHQBCHYFNS-UHFFFAOYSA-N 444.520 4.453 5 20 IIBD O=C(NCCc1cc(Br)ccc1F)c1cc([N+](=O)[O-])ccc1N1CCCC1 920886295 GQIWHONRCCANPH-UHFFFAOYSA-N 436.281 4.069 5 20 IIBD CN(c1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1)S(=O)(=O)c1ccccc1 929966217 YWUYCSHXYJVAKP-UHFFFAOYSA-N 446.868 4.293 5 20 IIBD Cc1ccc(-c2csc(NC(=O)c3ccccc3N3CCN(C)CC3)n2)cc1[N+](=O)[O-] 1318508972 FBKSRNPGJJDGIJ-UHFFFAOYSA-N 437.525 4.031 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@H](Cc3nccn3C)C2)cc1OC 1319989278 ROROOXBQCFFCQD-QZTJIDSGSA-N 430.549 4.217 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CCO[C@H](c2ccc(Cl)s2)C1 1320890845 RKNRQRJWBXUXIO-NSHDSACASA-N 431.695 4.286 5 20 IIBD Cc1cc(Cl)ccc1OCCCc1nnc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)o1 1322102252 WNEGAGRFNPHGMX-UHFFFAOYSA-N 440.847 4.199 5 20 IIBD O=C(c1cc2c(s1)-c1ccccc1OC2)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1324434831 JWJMQSYDJQOZJO-UHFFFAOYSA-N 435.505 4.174 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1cccc(I)c1C 1338570178 JHGQNQPOMHVULZ-UHFFFAOYSA-N 427.198 4.160 5 20 IIBD CCOC(=O)c1ccc2c(c1)N(C(=O)c1ccc(NC3CC3)c([N+](=O)[O-])c1)CCS2 1338784772 FKIHFKBJLCIFAV-UHFFFAOYSA-N 427.482 4.098 5 20 IIBD Nc1c(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)cc(Br)cc1[N+](=O)[O-] 1341727952 DSJHMRNRPXXCQC-UAGQMJEPSA-N 430.302 4.348 5 20 IIBD Cc1ccccc1NCC(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1 1785748635 VOQWQONBCMNGHI-UHFFFAOYSA-N 448.479 4.356 5 20 IIBD C/C=C/C=C\C(=O)Nc1ccc(C2(NC(=O)Cc3ccc([N+](=O)[O-])c(OC)c3)CCC2)cc1 1791246374 YGFRPRBYNSCYGZ-BZDQXIRASA-N 449.507 4.412 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc(C2CC2)cc1 1793940929 WUAGUMGBWGTSRZ-NUNAXRQHSA-N 447.535 4.357 5 20 IIBD CC(C)[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 1800662862 PFILHJFVLIGJFX-FWIIZBITSA-N 443.544 4.015 5 20 IIBD Cc1cc(C)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc([N+](=O)[O-])o3)n[nH]2)c1 1814311754 OBYPUHRKRRJOLF-KRWDZBQOSA-N 437.456 4.147 5 20 IIBD CCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cc(F)ccc2[N+](=O)[O-])[nH]n1 1821940066 NKDZTDQPUMGBAG-SFHVURJKSA-N 445.495 4.128 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ccc(OC(F)F)cc1 9878898 PPMSVWBCJKIJPK-UHFFFAOYSA-N 448.348 4.126 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Br 14643777 KKZOWHHNCXFTRU-VIFPVBQESA-N 429.654 4.425 5 20 IIBD CCNc1nnc(S[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)s1 18662941 FUYAVOSQYHAPSJ-SECBINFHSA-N 436.544 4.121 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1cc(C)n(Cc2cccs2)c1C 19284792 PCTSZWRVJOJZSP-UHFFFAOYSA-N 428.466 4.171 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nc3ccccc3o2)cc1 21530665 YISURZKRRMCKHE-UHFFFAOYSA-N 430.420 4.162 5 20 IIBD CCCCc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 21737763 YNRNZJIHQIWDSH-CQSZACIVSA-N 426.502 4.032 5 20 IIBD O=C(Nc1cccc(-n2cnnn2)c1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 27228500 SDZXUUWXKWFKSO-UHFFFAOYSA-N 449.858 4.088 5 20 IIBD COc1cc(CN2CCN(Cc3cccc(Cl)c3)CC2)c([N+](=O)[O-])cc1OC(F)F 27359059 XWCBRASATRLCRE-UHFFFAOYSA-N 441.862 4.176 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NC[C@@H](c2ccccc2)N(C)C)c([N+](=O)[O-])c1 29254790 XXGIZUBMBBWIQJ-QHCPKHFHSA-N 447.491 4.327 5 20 IIBD Cc1ccccc1CC(=O)N1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 60338951 RPOPIZLMBAZRTK-UHFFFAOYSA-N 443.503 4.026 5 20 IIBD CN(C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1Oc1ccccc1 64315788 NIHOLPJKDLCRMJ-UHFFFAOYSA-N 437.477 4.241 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)cc1SC 97548865 RMCKHMLPSOHCNH-LJQANCHMSA-N 429.542 4.201 5 20 IIBD O=C(COc1ccc(CCNC(=O)c2cc3ccccc3c3cccnc23)cc1)NC1CC1 108347866 VNEVBGNFFICVBW-UHFFFAOYSA-N 439.515 4.018 5 20 IIBD CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 116161166 UOGYQOFLMFCWKN-VQTJNVASSA-N 437.496 4.468 5 20 IIBD O=C(Nc1cccc(CNc2cc3ncnc(O)c3cc2[N+](=O)[O-])c1)c1ccc(F)cc1 301118809 ZIVAYABQRBSWRK-UHFFFAOYSA-N 433.399 4.247 5 20 IIBD CCc1cc(NCC2(N3CCCCC3)CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 301358550 ZMHDGEFDDCUSGZ-UHFFFAOYSA-N 425.533 4.061 5 20 IIBD O=C(Nc1ccc(F)cc1I)c1cc2cc([N+](=O)[O-])ccc2o1 426854325 RXOQPPQMFLMVLW-UHFFFAOYSA-N 426.141 4.337 5 20 IIBD O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)c1 426993983 FRDFJYYLSSGUJT-GHTZIAJQSA-N 442.903 4.215 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 427103556 KNIAYAVKHYWGIY-UHFFFAOYSA-N 428.832 4.112 5 20 IIBD O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 429167119 YFDAILQTSNHPAW-ISKFKSNPSA-N 441.503 4.182 5 20 IIBD CCOC(=O)c1nnsc1NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 429253576 KOFIDMQOLBMLFN-UHFFFAOYSA-N 430.467 4.027 5 20 IIBD Cc1c(NC(=O)C(=O)Nc2csc3ccccc23)cc(Br)cc1[N+](=O)[O-] 430334878 AAWUZKYXUYMDBE-UHFFFAOYSA-N 434.271 4.458 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(SCc3cccs3)s2)c1C 431319384 QVQQQMQWDQWIQL-UHFFFAOYSA-N 442.569 4.218 5 20 IIBD COc1cc(S(=O)(=O)Nc2cc(-c3cc4ccccc4s3)[nH]n2)ccc1[N+](=O)[O-] 432487378 DXOHHELBTYUJKP-UHFFFAOYSA-N 430.467 4.009 5 20 IIBD COC(=O)C1(N(C)C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)CCCC1 432856263 ZFTSMVAAMNITHK-UHFFFAOYSA-N 435.527 4.069 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(CN[C@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)cc2)C[C@@H](C)O1 433173754 LIQNMHDEUKBNHY-QZMQVMSPSA-N 437.540 4.356 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2csc(CCc3ccccc3)n2)cc1SC 434361954 AUXJMGULVIWPLF-UHFFFAOYSA-N 443.550 4.497 5 20 IIBD CCNC(=O)Nc1cccc(NCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])c1C 435057340 BMHSOLUKHHXNJC-UHFFFAOYSA-N 438.431 4.309 5 20 IIBD Cc1cc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])n([C@H]2CCN(Cc3ccccc3)C2)n1 435293826 CXIWUTPOVSVXJP-KRWDZBQOSA-N 439.903 4.452 5 20 IIBD COc1ccc(CCN(Cc2ccsc2)C(=O)c2cc([N+](=O)[O-])ccc2O)cc1OC 436971605 KHOFJZUPESCZJV-UHFFFAOYSA-N 442.493 4.264 5 20 IIBD CN1CCN(C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccc(F)cc21 437110692 XDKBAUVBOVIVIA-UHFFFAOYSA-N 429.395 4.328 5 20 IIBD O=C(Nc1ccc(OC(F)F)c(F)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 437814040 IRUMLGKZQKDXDR-UHFFFAOYSA-N 425.363 4.411 5 20 IIBD COc1cc(C(=O)N2CCS[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1OCc1cscn1 438046063 WICRBNNQJUQCKW-HNAYVOBHSA-N 449.554 4.139 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)c([N+](=O)[O-])c1 438763353 ZVDVUSIJSYERPA-UHFFFAOYSA-N 435.845 4.245 5 20 IIBD Cc1ccc(Sc2ccc(CNc3ccc(-c4nncn4C)cn3)cc2[N+](=O)[O-])cc1 438836879 OSSKEPPIAJXSGA-UHFFFAOYSA-N 432.509 4.857 5 20 IIBD Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 439798147 CPMVVNQURJZUTC-UHFFFAOYSA-N 425.876 4.939 5 20 IIBD CC[C@@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])Oc1cccc(F)c1 439833324 FOUUFZMTKIVVOS-ZDUSSCGKSA-N 430.354 4.262 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCC1CCN(c2ccncc2)CC1 439896761 GPNODFHPNNEHCN-UHFFFAOYSA-N 427.505 4.159 5 20 IIBD Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 441270654 PFDLIJHSJUNCPO-AEFFLSMTSA-N 447.438 4.238 5 20 IIBD Cn1ccnc1-c1csc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)n1 444240352 PRGIZRHJDVAPIQ-UHFFFAOYSA-N 437.431 4.069 5 20 IIBD COc1cc(CCNC(=O)CCC(=O)c2csc3ccccc23)c([N+](=O)[O-])cc1OC 445755160 GDNAVKXYMXBSLJ-UHFFFAOYSA-N 442.493 4.149 5 20 IIBD O=C(NC1CC1)c1cc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])ccc1Cl 446108593 NIPYZEXCEQMHOF-UHFFFAOYSA-N 444.694 4.217 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 446426882 WCOAMENRCZDKAB-LLVKDONJSA-N 439.693 4.363 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(C(F)(F)F)c1 447024985 AVBGLDTUGGJTKU-NXEZZACHSA-N 434.358 4.261 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc([C@@H](C)N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 447505828 GGYHDMIVFMTVLQ-OPAMFIHVSA-N 431.558 4.354 5 20 IIBD O=[N+]([O-])c1ccc2nc(N3CCCN(Cc4ccc(Cl)c5cccnc45)CC3)[nH]c2c1 460356780 PJGVXHMXLUGETH-UHFFFAOYSA-N 436.903 4.385 5 20 IIBD CCOCCCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H](C(F)(F)F)[C@H]1C 460682879 DYDOTXOUHKBOHD-PBHICJAKSA-N 441.454 4.447 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1C[C@@H](CO)[C@H](c2ccc(Cl)cc2)C1 461271574 LYDFQTQVARQULV-AVRDEDQJSA-N 446.934 4.043 5 20 IIBD COc1cc(CNc2cccc(CS(=O)(=O)c3ccccc3)c2)c([N+](=O)[O-])cc1F 464066261 BTXJORDBXPKPPS-UHFFFAOYSA-N 430.457 4.329 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)Nc1cc2c(cn1)CCCC2)c1ccccc1[N+](=O)[O-] 464069560 ZJSVWNNBAXIESF-GOSISDBHSA-N 426.473 4.073 5 20 IIBD Cc1cc(C(=O)NCC(=O)N2CCCC[C@@H]2c2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] 470598620 GHTYJVQWKMDJEU-LJQANCHMSA-N 449.429 4.406 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 472696898 FTJMAXSQLAMGIH-SJORKVTESA-N 439.365 4.144 5 20 IIBD Cc1sc(NC(=O)Cn2cc([N+](=O)[O-])cc(Cl)c2=O)nc1-c1ccc(Cl)cc1 477532352 SLPDGKYTGRXANK-UHFFFAOYSA-N 439.280 4.134 5 20 IIBD CC(C)n1cnnc1-c1ccccc1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 477572080 LKOASKSXPBTVBY-UHFFFAOYSA-N 428.880 4.452 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CC[C@@H](c2ccc(F)cc2)C1 478189016 WYYSPKONGJRHLV-FOIQADDNSA-N 447.894 4.158 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)c1ccc([N+](=O)[O-])cc1Br 478217979 KVUCGXUZVDPBCC-DZGCQCFKSA-N 427.201 4.245 5 20 IIBD Cc1nnc(-c2ccccc2-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)o1 478610239 VEEPMBDRUDCWJO-UHFFFAOYSA-N 442.229 4.357 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 480606053 BWPLLPMGEACJJI-UHFFFAOYSA-N 449.554 4.135 5 20 IIBD CCn1c(S[C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)nnc1-c1ccc([N+](=O)[O-])cc1 481357641 HZJCOINSWCJQOA-BASYENTBSA-N 431.562 4.295 5 20 IIBD CC(C)(C)c1ccc(Oc2ccc(CNC[C@@H](CO)[C@@H]3CCOC3)cc2[N+](=O)[O-])cc1 481817806 STMQIDXFMHIERD-MOPGFXCFSA-N 428.529 4.419 5 20 IIBD CCOC(=O)c1csc([C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 482960599 MMVZGDVJJDJWFB-CQSZACIVSA-N 443.403 4.224 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CN[C@@H](CO)c3ccc(Cl)cc3C(F)(F)F)n2)c1 483272900 SCNPFSWAVGEGCA-HNNXBMFYSA-N 442.781 4.140 5 20 IIBD CCOc1cc(-c2nnc(Sc3ccc([N+](=O)[O-])nc3)o2)cc(OCC)c1OCC 483926358 MODQCPQMAYEMAY-UHFFFAOYSA-N 432.458 4.387 5 20 IIBD O=C(Nc1n[nH]c(-c2cc3ccccc3o2)n1)c1ccc(Br)cc1[N+](=O)[O-] 485143052 ORNCIYIOBQLFBM-UHFFFAOYSA-N 428.202 4.141 5 20 IIBD COc1ccc(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1OC1CCCC1 485412964 UWEXQOSLQLJVCA-UHFFFAOYSA-N 436.468 4.041 5 20 IIBD CCCN(Cc1ccccc1Br)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C 485568029 IGEFDZWSOUASAJ-UHFFFAOYSA-N 434.290 4.043 5 20 IIBD CCOc1nc(C)ccc1C(=O)N(CCOC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 485614805 OPMNQGHEGQFTSE-UHFFFAOYSA-N 442.497 4.114 5 20 IIBD COc1ccc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1Br 486749172 YURPAEYKVVSENY-UHFFFAOYSA-N 433.180 4.315 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCC(c3ccc(OC)cc3)CC2)c(C)c([N+](=O)[O-])c1 486868236 QYIQNHUDKNLYMC-UHFFFAOYSA-N 427.457 4.110 5 20 IIBD O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCC[C@@H](c2nnc3n2CCC3)C1 487607984 MYIKUURFUYSTCJ-QGZVFWFLSA-N 449.536 4.304 5 20 IIBD CC(C)c1c(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)cnn1-c1ccccc1 489394788 CKFSRBBTMZEVDT-UHFFFAOYSA-N 431.452 4.470 5 20 IIBD COCCN(Cc1ccc(Br)s1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 494069429 OYMDYNXQIWIBTH-UHFFFAOYSA-N 444.307 4.108 5 20 IIBD C[C@H]1CN(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)CC[C@@H]1O 497826671 WOUDHBQRHUVFPW-SJCJKPOMSA-N 437.855 4.092 5 20 IIBD O=[N+]([O-])c1ccc([C@H]2SCCN2S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1 497940082 WCZPFHXJQOOSAF-OAHLLOKOSA-N 436.408 4.189 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@@H](C)[C@H](n3ccnc3)C2)c([N+](=O)[O-])c1 503094645 JZXVWYSIFZYDCT-YSZBQJHXSA-N 433.512 4.363 5 20 IIBD C[C@@H](Oc1ccccc1NC(=O)C(=O)N(C)CCc1ccccc1[N+](=O)[O-])c1ccccc1 506745054 UTWZDGIRHJJJGF-GOSISDBHSA-N 447.491 4.374 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCN(CCCc2ccccc2)CC1 507134700 BRYIVJCKBRGGSK-GOSISDBHSA-N 445.947 4.183 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N(CC(F)(F)F)c3ccccn3)cc2)c(C)c1[N+](=O)[O-] 508585016 AJSYQBZZDZXNBB-UHFFFAOYSA-N 433.390 4.061 5 20 IIBD O=C(NCC1(c2ccc(Cl)cc2Cl)CCOCC1)c1ccc([N+](=O)[O-])c(O)c1 508757711 DXRQLTSSOSRCAL-UHFFFAOYSA-N 425.268 4.085 5 20 IIBD Cc1cc(=O)c(C(=O)N(c2ccc(Cl)cc2)C(C)C)nn1-c1ccccc1[N+](=O)[O-] 509167757 DZRXJSVZXZAORL-UHFFFAOYSA-N 426.860 4.158 5 20 IIBD COc1ccc(-c2ccccc2)cc1CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 509796885 DSOSOHZRTYXNBH-UHFFFAOYSA-N 437.521 4.290 5 20 IIBD O=C(Cc1ccccc1)N1CCC[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 509945787 UKPULGHKJXIAMG-IBGZPJMESA-N 436.537 4.042 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCCc3ccccc3O)c([N+](=O)[O-])c2)c(C)c1 511684517 DBGDQBHXQKPERH-UHFFFAOYSA-N 441.509 4.373 5 20 IIBD COc1ccc(CNC(=O)c2cc(C)nc3ccc(Br)cc23)cc1[N+](=O)[O-] 511788059 PZJSJOHHFYJISP-UHFFFAOYSA-N 430.258 4.153 5 20 IIBD C[C@H](NC(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cccc([N+](=O)[O-])c1 512084887 VFRANPLMGZTDPX-ZFWWWQNUSA-N 438.406 4.133 5 20 IIBD COc1cc(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)ccc1OC1CCCC1 513694517 RLTOBXFFGJDEDG-UHFFFAOYSA-N 436.411 4.456 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](CO)Cc1ccccc1C(F)(F)F 515924503 FELNHSVPAHRJFY-ZDUSSCGKSA-N 425.407 4.149 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1ccc(S(C)(=O)=O)cc1 519157625 KICVWKJJENVQJF-UHFFFAOYSA-N 442.518 4.426 5 20 IIBD CCN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@@H](c1cccnc1)c1ccc(F)c(F)c1 520503527 WGSWQKGFUVVTPZ-JOCHJYFZSA-N 427.407 4.285 5 20 IIBD CC1CCN([C@@H](C)CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 520857754 SHCOYOHZMJHOMZ-ROUUACIJSA-N 425.533 4.013 5 20 IIBD Cn1cnnc1Sc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 522862801 HDKJWYCESZBYJA-UHFFFAOYSA-N 441.516 4.073 5 20 IIBD Cc1ccc(NCCCNC(=O)N[C@@H](c2ccccc2)c2nccs2)c([N+](=O)[O-])c1 524724031 QUTWBFXSQHHDKN-IBGZPJMESA-N 425.514 4.251 5 20 IIBD Cc1ccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1OCC1CCOCC1 525481406 SALMYRUGDKTKSV-UHFFFAOYSA-N 440.905 4.163 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(COCc2ccccc2)cc1 525535725 NAOKYHDJYLXWFG-UHFFFAOYSA-N 428.466 4.121 5 20 IIBD COc1cc(-c2noc(-c3cc(Br)cc([N+](=O)[O-])c3)n2)cc(OC)c1OC 533200502 JJWGAFMQNDZCKH-UHFFFAOYSA-N 436.218 4.100 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H](CO)c1ccc(C(F)(F)F)cc1 534778629 ZRUYOXLOUGLCDV-ZDUSSCGKSA-N 435.305 4.070 5 20 IIBD CCN(CC)C(=O)[C@H](c1ccccc1)[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534796741 UIKNITZRZQVUSU-PKHCJMHPSA-N 441.509 4.108 5 20 IIBD C[C@H](NC(=O)C[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1Cl 535507474 MCGYXDSRDHBDHW-FZPQWHJUSA-N 447.900 4.029 5 20 IIBD CN(C(=O)CCc1nnc(C2CCCC2)o1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 537152485 YBFUTGFIVUEMDE-UHFFFAOYSA-N 427.486 4.355 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(Br)cc1N1CCOCC1 537960490 XVTYAUFBALOZFF-HNNXBMFYSA-N 434.334 4.353 5 20 IIBD Cc1ccc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)n2)cc1C 538449217 NHDGYUMZNUFZKC-UHFFFAOYSA-N 438.509 4.424 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(C(=O)NC2CC2)c1 539637079 IJNFWBLIYHGSLH-UHFFFAOYSA-N 427.526 4.309 5 20 IIBD O=C(Nc1nc(Cc2ccccc2)cs1)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 540569515 UOEXSNWYIRHZJN-UHFFFAOYSA-N 438.494 4.164 5 20 IIBD C[C@H](C(=O)N[C@@H](C)[C@@H](OC1CCOCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1F 541599399 LBBYGUZJAREKCI-PONJGIIJSA-N 430.476 4.279 5 20 IIBD COc1ccc(NC(=O)c2cc(I)cc(C)c2C)cc1[N+](=O)[O-] 541992068 KHWRGEROBFQNEM-UHFFFAOYSA-N 426.210 4.077 5 20 IIBD COc1ccc(C2(CNC(=O)CSCc3ccc(OC)c([N+](=O)[O-])c3)CCC2)cc1 542299076 SAAZJKKOOQCKQC-UHFFFAOYSA-N 430.526 4.083 5 20 IIBD COc1ccc(NC(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)cc1[N+](=O)[O-] 542959238 APYZVPYQMXCTAI-CYBMUJFWSA-N 449.305 4.014 5 20 IIBD O=[N+]([O-])c1cc(CN[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c2c(c1)COCO2 543448110 SVFVYCNIMAGUNS-JOCHJYFZSA-N 448.454 4.481 5 20 IIBD CC(C)CCSc1ccc(C(=O)N(C)c2ccc(N3CCOCC3)nc2)cc1[N+](=O)[O-] 543515252 MYCRFIOLTAXVKO-UHFFFAOYSA-N 444.557 4.241 5 20 IIBD C[C@H]1CCCCN1C[C@@H]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 544223924 VWUSYWJTAMGORS-HOTGVXAUSA-N 425.982 4.453 5 20 IIBD O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 546021549 AGAJJLHETWTMPL-OAHLLOKOSA-N 440.399 4.273 5 20 IIBD COc1cc(Cc2noc(-c3cccc(F)c3Br)n2)c([N+](=O)[O-])c(OC)c1 551065291 BFHUXXSUPRVITN-UHFFFAOYSA-N 438.209 4.154 5 20 IIBD CCOC(=O)c1cc(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c(F)cc1C 551357411 INAUPADYBAJFKR-UHFFFAOYSA-N 442.346 4.081 5 20 IIBD O=[N+]([O-])c1ccccc1OC[C@H](O)CNC[C@H](c1ccccc1)c1c[nH]c2ccccc12 551818785 WXWVZLHNVNYLBQ-TZIWHRDSSA-N 431.492 4.238 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 553039279 KWGBWALMBFLVHU-DYXWJJEUSA-N 435.505 4.363 5 20 IIBD CC(=O)Nc1ccc(C)c(NCc2cc(I)cc([N+](=O)[O-])c2)c1 554978783 LZZVQEVDQMMSMG-UHFFFAOYSA-N 425.226 4.078 5 20 IIBD Cc1ccc(NC(=O)C(=O)N[C@@H]2c3cccc(Br)c3CC2(C)C)cc1[N+](=O)[O-] 556421872 JVSPZHPHCLADSA-QGZVFWFLSA-N 446.301 4.044 5 20 IIBD CC(C)C[C@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccccc1 556506059 IQQQNDANEMQCIL-KRWDZBQOSA-N 434.290 4.199 5 20 IIBD O=C(NC[C@@H](NCc1ccccc1)c1ccco1)c1cc([N+](=O)[O-])ccc1OC(F)F 557459803 MDMOJYBIJRWGJO-QGZVFWFLSA-N 431.395 4.050 5 20 IIBD O=C(Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1)c1cc(F)cc([N+](=O)[O-])c1 561332961 LCEDXPZGKIFPRG-UHFFFAOYSA-N 428.323 4.403 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1nccn1-c1ccccc1 564020762 PYNDVWPZWWBHAS-ZDUSSCGKSA-N 429.274 4.342 5 20 IIBD CC[C@@H](c1cccc(OC)c1)N(C)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 564093985 GSQCNUFQBNXDPK-KRWDZBQOSA-N 443.319 4.138 5 20 IIBD CC(C)(C)c1ccc(C(=O)Nc2ccc(I)cn2)cc1[N+](=O)[O-] 566886763 CBOKEAVPUFJGSD-UHFFFAOYSA-N 425.226 4.144 5 20 IIBD Cc1nn(CCC(=O)N[C@@H]2c3cc(Br)ccc3CC2(C)C)c(C)c1[N+](=O)[O-] 569034924 SDZPSKCOTCYVRP-GOSISDBHSA-N 435.322 4.001 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(c3nnc(C4CCC4)n3C[C@@H]3CCCCO3)CC2)cc1 576090946 ZPEPDBGXKAIIAQ-NRFANRHFSA-N 441.532 4.071 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(CC)[C@H]2c2ccc(Cl)c(F)c2)c1 578135602 KSRGTPCWOVIALM-QUCCMNQESA-N 435.883 4.351 5 20 IIBD Cc1c(Br)cc(-c2nc(-c3cn(Cc4ccccc4)nn3)no2)cc1[N+](=O)[O-] 578816924 OUPPKWFPLBIARH-UHFFFAOYSA-N 441.245 4.023 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(N(C(C)=O)[C@@H]3C[C@@H]3C)cc2)cc1[N+](=O)[O-] 584134146 ZFOHEKXKUPYQKE-IFXJQAMLSA-N 443.525 4.237 5 20 IIBD CCSc1cccc(Br)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC 589558158 GLXAJMBDNVKNBU-UHFFFAOYSA-N 447.332 4.279 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)Cc1ccc(Br)cc1 595553118 CTUIMMVRUNGBNK-LLVKDONJSA-N 427.682 4.437 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(Cl)c3cccnc23)cc1[N+](=O)[O-] 602028154 XNRYXIDOXASWRY-UHFFFAOYSA-N 440.872 4.328 5 20 IIBD Cc1c(C(=O)Nc2nc3c(C(F)(F)F)cccc3s2)nnn1-c1cccc([N+](=O)[O-])c1 603564911 OJRSVCIIIXKIQT-UHFFFAOYSA-N 448.386 4.365 5 20 IIBD Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)CCNc1ccccc1[N+](=O)[O-] 603976961 NJLWALYOZXDGCS-IAGOWNOFSA-N 438.528 4.462 5 20 IIBD CCOc1cc2c(cc1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])O[C@H](C)C2 604445359 YRFVSSLRXIFRRK-OLZOCXBDSA-N 434.876 4.054 5 20 IIBD CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 604519280 ZEKCTTVMXPCCSX-QPPBQGQZSA-N 437.540 4.438 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1 609027043 FQTLIBRXGDXTGG-UHFFFAOYSA-N 425.182 4.177 5 20 IIBD CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)cc1 609726592 QWVPORIJRCTDPH-LEWJYISDSA-N 444.532 4.093 5 20 IIBD CCN1CC[C@@H](N(C)C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C[C@@H]1C 610125914 YMHTYGPDKACCAM-QWHCGFSZSA-N 440.331 4.032 5 20 IIBD COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 611098109 IYCSJIQAGIHRGJ-OAHLLOKOSA-N 437.456 4.067 5 20 IIBD CCOC(=O)c1nc(NC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)c[nH]1 619448343 NHAAGUFLDGYRBO-UHFFFAOYSA-N 426.454 4.207 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1 619491996 KIQSSPSIJRBBDN-UHFFFAOYSA-N 439.493 4.019 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccccc1Cl 725985316 KPVUMERHVJZHTN-SNVBAGLBSA-N 441.665 4.045 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CC2(CCC2)c2c(F)cccc21 726155241 JKSLPCUDCFFLMO-UHFFFAOYSA-N 441.278 4.127 5 20 IIBD O=C(NC1CCN(Cn2c(=S)oc3ccc([N+](=O)[O-])cc32)CC1)Oc1ccccc1 727428134 QARHLSOMJFUCMG-UHFFFAOYSA-N 428.470 4.082 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCc2cc(Cl)c3c(c2)OCCCO3)cc1SC 728461030 XWUDGOVVFIYESS-UHFFFAOYSA-N 439.873 4.497 5 20 IIBD Cc1[nH]nc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] 729347464 ODHFSTJGDSFDRM-UHFFFAOYSA-N 433.346 4.150 5 20 IIBD COc1cc(COC(=O)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1SC 731688485 LUJCCMFJSMQDMU-UHFFFAOYSA-N 430.404 4.499 5 20 IIBD CO[C@H](CN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C(F)(F)F 733323072 DQSKXJSQTGTXAX-CVEARBPZSA-N 431.798 4.095 5 20 IIBD CC(C)n1ccc(CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 735076787 GRFREMWCJVJUDI-UHFFFAOYSA-N 434.905 4.421 5 20 IIBD CSc1cccc(NC(=O)[C@H](C)OC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c1 735150104 XOTPJFJPKRFCIC-LBPRGKRZSA-N 438.889 4.309 5 20 IIBD CCc1nnc(COC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)n1C 735800045 UEUMQVUYZAWTMQ-UHFFFAOYSA-N 446.847 4.097 5 20 IIBD CCOC(=O)N1[C@H](C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@@H]1c1ccc(C)o1 736462318 WWVZOGBVLZNRAP-MSOLQXFVSA-N 449.891 4.470 5 20 IIBD C[C@H](OC(=O)c1cccc(Oc2cnccn2)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 736925217 RZNKRZBYAHPLKW-ZDUSSCGKSA-N 433.380 4.145 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCCC3)c1 741887273 AXHVXQDKBGUJJX-CQSZACIVSA-N 443.525 4.005 5 20 IIBD CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NCc1csc([N+](=O)[O-])c1 742259240 WPNWTGPNGBGHKB-UHFFFAOYSA-N 426.564 4.121 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[C@@H]1C[C@@]12CCc1ccccc12 744353840 HNCOBNPRDVJERZ-GBXCKJPGSA-N 432.480 4.286 5 20 IIBD Cc1ccc([C@@](O)(CC(=O)OCc2cc([N+](=O)[O-])ccc2OC(C)C)C(F)(F)F)o1 744657412 UMOWFZPHDQPCGY-SFHVURJKSA-N 431.363 4.167 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1c[nH]cc1-c1ccc(Cl)s1 744831550 AOWWVJQQSBJJCP-SNVBAGLBSA-N 449.872 4.497 5 20 IIBD CCCC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 745071095 IUKZHAXSHRLTKC-OAHLLOKOSA-N 426.469 4.426 5 20 IIBD C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccc(-c2ccncc2)cc1 746408372 FCFKMSONGBNKQI-KXBFYZLASA-N 448.454 4.026 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F 748547516 RQTWJMAUERIFNU-PIGZYNQJSA-N 448.850 4.295 5 20 IIBD CC(C)Oc1ccccc1CC(=O)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C 748608026 PLMDYIPLICUKIK-UHFFFAOYSA-N 438.484 4.412 5 20 IIBD CC(=O)Nc1cccc(COC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 749081985 DLGCVVUTUHGQMU-HNNXBMFYSA-N 434.452 4.478 5 20 IIBD CCCCOc1ccc(NC(=O)c2c3c(cc([N+](=O)[O-])c2[N+](=O)[O-])OCCO3)c(C)c1 751244556 GPGYLWVADJFBAS-UHFFFAOYSA-N 431.401 4.014 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CCOc2c1ccc(Cl)c2Cl 753066828 QPABTQUYWOYNDA-CQSZACIVSA-N 426.256 4.233 5 20 IIBD CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cccc([N+](=O)[O-])c1Br 753791740 TWUMVGBRGDSAOT-UHFFFAOYSA-N 434.290 4.157 5 20 IIBD Cc1nccc(NCc2cccc(C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)c2)n1 754919169 DBPOGNYRFQJGTR-UHFFFAOYSA-N 425.876 4.231 5 20 IIBD COC(=O)CCSc1cccc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1 756047482 NOTIAYYLXQSOBJ-UHFFFAOYSA-N 433.442 4.027 5 20 IIBD CC(C)(C)OC(=O)N1CCC(n2cc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])cn2)CC1 756230846 ZNLIDHFSBWMVRO-UHFFFAOYSA-N 449.895 4.269 5 20 IIBD O=C(C[C@@H]1CCCCO1)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 756504228 NQGAFIZJIWVRRT-OXJNMPFZSA-N 432.860 4.430 5 20 IIBD CN(Cc1cc(Br)ccc1Cl)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 756771886 HXQDWCBKUPYTED-UHFFFAOYSA-N 428.626 4.191 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2cc(F)c(C(F)(F)F)c(F)c2)c([N+](=O)[O-])c1 758853812 GQHGDDIMKWRKSU-UHFFFAOYSA-N 448.300 4.086 5 20 IIBD O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)c1cc(Br)cc([N+](=O)[O-])c1Cl 759788485 FDXGQLCDKQGYHK-UHFFFAOYSA-N 440.597 4.048 5 20 IIBD Cn1nc(-c2nc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)no2)c2ccccc2c1=O 761858730 OISGWNHQXXVYDD-UHFFFAOYSA-N 441.403 4.351 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 761887435 YVTHVSHNTMUJBU-UHFFFAOYSA-N 444.296 4.138 5 20 IIBD Cc1cc(Br)ccc1Cc1noc(Cn2ncc3ccc([N+](=O)[O-])cc32)n1 762310443 YITGPXUYSMJGGZ-UHFFFAOYSA-N 428.246 4.038 5 20 IIBD COc1ccc2c(C)c(CCc3nc(Cc4cccc([N+](=O)[O-])c4C)no3)c(=O)oc2c1 762313400 ATKLYCFYCMSIDM-UHFFFAOYSA-N 435.436 4.086 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 762621154 DOQFAGPAVLUYPF-HUUCEWRRSA-N 437.512 4.163 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1COCC[C@H]1NCCCCc1ccc([N+](=O)[O-])cc1 762769219 ZXNOZUYPDYONAZ-BHDDXSALSA-N 447.576 4.312 5 20 IIBD O=C(OCc1cc(=O)n2ccsc2n1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 763797948 SVVGCVRQVFTPLY-UHFFFAOYSA-N 431.495 4.056 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc2cc(C(F)(F)F)ccc2n1C 764537613 YLBQKMKXQRMAFV-SECBINFHSA-N 438.318 4.327 5 20 IIBD COc1ccc([C@@H](C)OC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1Cl 764618286 OXXXPSCYFKUPMD-RISCZKNCSA-N 438.889 4.227 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(NCc2ccc(NC(=O)c3cccnc3)cc2)cc1Cl 765483617 VMAWZIKUZNPEGV-UHFFFAOYSA-N 440.843 4.294 5 20 IIBD COc1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)c1[N+](=O)[O-] 766405574 LSVOGUXVMLAXQG-UHFFFAOYSA-N 426.816 4.156 5 20 IIBD COC(=O)c1oc([C@@H](C)OC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1C 767273440 WNVXNLCGMFAIAQ-OAHLLOKOSA-N 441.440 4.062 5 20 IIBD COC(=O)c1cc(C(=O)N(Cc2ccccc2)C[C@H](O)c2cccc(C)c2)cc([N+](=O)[O-])c1 768362018 SMMBEIQOELRZJL-QHCPKHFHSA-N 448.475 4.066 5 20 IIBD Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c1 768363105 XDPKCVGAFXJGIV-QHCPKHFHSA-N 449.463 4.496 5 20 IIBD O=C(CCc1ccccc1)N1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 769136052 QOYYWLGFBCBAIN-UHFFFAOYSA-N 446.345 4.024 5 20 IIBD Cc1cccc(-c2nc(C)c(C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)[nH]2)c1 772108324 KNWACNZWFKJGOO-ZDUSSCGKSA-N 442.859 4.439 5 20 IIBD O=[N+]([O-])c1ccc([C@H](O)CSc2nnc(-c3cccnc3)n2Cc2ccccc2)cc1 776272419 SSAOBCHLOJKTFD-HXUWFJFHSA-N 433.493 4.122 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nn1-c1ccccc1Cl 776436786 UVWLVMIKVRPFJD-UHFFFAOYSA-N 449.250 4.191 5 20 IIBD CCOc1cc(Cl)ccc1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 778891992 CUMDATWVBINXLW-JTQLQIEISA-N 427.240 4.484 5 20 IIBD Cc1ccc([C@@H](NC(=O)COC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C2CC2)cc1 781258234 ARTKWHVIYYBPSU-RUZDIDTESA-N 440.499 4.414 5 20 IIBD O=C(Cc1cccc(OCC(F)(F)F)c1)O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 784529372 GNBKOBTZJQZMEI-CVEARBPZSA-N 427.379 4.002 5 20 IIBD O=[N+]([O-])c1ccn(C2CCN(Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)CC2)n1 787289859 ZMWZGLZTEDGCAS-UHFFFAOYSA-N 441.419 4.468 5 20 IIBD CCOc1cc(C(=O)Nc2cc(Br)cnc2Cl)c([N+](=O)[O-])cc1OC 787956914 QAAOYTQDPVHSDW-UHFFFAOYSA-N 430.642 4.065 5 20 IIBD O=[N+]([O-])c1ccc(CN(Cc2ccco2)S(=O)(=O)/C=C/c2ccccc2)c([N+](=O)[O-])c1 789566967 QCXXZFRLDCOMAJ-ZRDIBKRKSA-N 443.437 4.099 5 20 IIBD Cc1nc(-c2ccc(OS(=O)(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)cc2)cs1 790845434 DOTMDUMPTPQOAP-UHFFFAOYSA-N 449.466 4.319 5 20 IIBD O=C(CCc1cc(F)ccc1Br)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 792134809 SEDNVJQAUHOZKR-UHFFFAOYSA-N 427.182 4.081 5 20 IIBD CC(C)([C@@H](OC(=O)c1ccc(-c2nc[nH]n2)cc1)c1ccc(Br)cc1)[N+](=O)[O-] 793203127 INUFFOUYFUIPLR-INIZCTEOSA-N 445.273 4.188 5 20 IIBD CCC(=O)c1ccc(N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)c([N+](=O)[O-])c1 795073855 RXHJZMDFLSWBRF-UHFFFAOYSA-N 436.295 4.457 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Oc1cc(NC(=O)OC(C)(C)C)ccc1C 795151500 RDGALTVTDBJZNA-UHFFFAOYSA-N 438.458 4.027 5 20 IIBD Cc1ccccc1-c1noc(C)c1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 796216780 RWIDYFIJBGIMMC-UHFFFAOYSA-N 429.816 4.316 5 20 IIBD CCCc1[nH]nc(C(=O)O[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)c1[N+](=O)[O-] 796260921 PUGQWVKRNPQWKL-NRFANRHFSA-N 436.468 4.424 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 797511697 GKZJWTMOUJSVBP-UHFFFAOYSA-N 449.250 4.191 5 20 IIBD O=[N+]([O-])c1ccccc1Cn1c(Br)nc(Br)c1Br 799176060 CBNYNVUESDGTCE-UHFFFAOYSA-N 439.889 4.127 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 800145593 YCEQWWDIKLNSHO-UHFFFAOYSA-N 433.395 4.091 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)c(C)c(C)c1O 801199779 UNIMWUUCIMYJRB-UHFFFAOYSA-N 440.237 4.391 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 802401845 BXZAKEMMBDTREM-UHFFFAOYSA-N 435.406 4.155 5 20 IIBD C[C@H](Cn1ccc2ccccc21)C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 803794084 MWVCERDWJMVNGD-ZIAGYGMSSA-N 429.860 4.409 5 20 IIBD C[C@H](c1ccc(F)cc1)N1CC[C@@H](OC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1=O 815180889 YNGAKBAHDQRSDN-SJKOYZFVSA-N 428.441 4.468 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1cc(N2CCOC2=O)ccc1F 815214884 UGFOSOMZOJYPJZ-UHFFFAOYSA-N 428.294 4.066 5 20 IIBD Cc1ccc([C@@H](OC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c2cncn2C)cn1 816320761 CAVSNFMSVMMNKU-GOSISDBHSA-N 445.273 4.049 5 20 IIBD O=C(Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1)[C@@H]1CSCCS1 890280105 ANYOLQSJKHJVDV-SFHVURJKSA-N 429.475 4.122 5 20 IIBD COc1cc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)ccc1OCC(C)C 914868968 TUHVFKIIRDOZNB-AWEZNQCLSA-N 431.445 4.346 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)O[C@@H](C(=O)NC(C)(C)C)C(C)C)cc1 915250436 STUKLLQOJQRJJW-HXUWFJFHSA-N 444.484 4.492 5 20 IIBD CC1=C(C(=O)N(C)C)[C@@H](c2ccc(C)c([N+](=O)[O-])c2)NC(=S)N1c1cc(C)ccc1C 916169244 XHMCNXYVRLLKEQ-OAQYLSRUSA-N 438.553 4.318 5 20 IIBD COc1ccccc1OCC(=O)Nc1cccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 917090323 ICXFOLXJIPERCR-UHFFFAOYSA-N 438.396 4.273 5 20 IIBD CCc1ccc(N2C(=S)N[C@H](c3ccc(C)c([N+](=O)[O-])c3)C(C(=O)N(C)C)=C2C)cc1 918030723 VNHJRTNOHHWNMP-OAQYLSRUSA-N 438.553 4.264 5 20 IIBD O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)Oc1cc(Cl)ccc1[N+](=O)[O-] 921135150 XMXUHHZEYCPINV-UHFFFAOYSA-N 441.852 4.292 5 20 IIBD COc1cccc(C(NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c2cccc(OC)c2)c1 1116204148 CTYBKSDZSGMNKB-UHFFFAOYSA-N 433.464 4.427 5 20 IIBD COc1ccc2cc(/C=C/C(=O)N3CCN(Cc4cccc([N+](=O)[O-])c4)CC3)ccc2c1 1119529618 HEHZDSRIOJSYIV-UXBLZVDNSA-N 431.492 4.114 5 20 IIBD COc1ccc(NC(=O)N(Cc2ccc(Cl)cc2)Cc2cnn(C)c2)c([N+](=O)[O-])c1 1123371849 IOBMYNGMIFRZNA-UHFFFAOYSA-N 429.864 4.225 5 20 IIBD Cc1cc(C(=O)NC2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)CC2)no1 1319705309 IPHGBEWPWSUGOR-UHFFFAOYSA-N 444.875 4.199 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1320011810 JZFGFZLBBNORKV-UONOGXRCSA-N 427.892 4.331 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1Br 1325786485 SIUXGOWIZRNKRU-SFHVURJKSA-N 448.317 4.277 5 20 IIBD CCCCC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)CCC1 1789691438 GCJIUCLITKUTRP-OAHLLOKOSA-N 427.505 4.282 5 20 IIBD Cc1ccc(-c2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3ccc([N+](=O)[O-])o3)c[nH]2)cc1 1792395952 MHCGNRXSXKAUGW-REPLKXPHSA-N 448.479 4.057 5 20 IIBD C[C@@H]1CCC[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2cccc([N+](=O)[O-])c2)CCC1 1800040991 STWXJHQPOKNLNE-QKYBYQKWSA-N 439.556 4.091 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccccc3o2)[nH]n1)c1ccc([N+](=O)[O-])o1 1814309645 SJHWWEVELRXXFR-HNNXBMFYSA-N 449.423 4.277 5 20 IIBD Cc1cccc(C)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823614964 IAPIFSDDZGHXEL-LJQANCHMSA-N 439.512 4.352 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCCCN2C(=O)/C=C/C2CC2)CC1 1824210167 PZWLXGVUQJKEPK-SRLUVNLFSA-N 439.556 4.113 5 20 IIBD O=C(c1cccs1)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1824274845 NWAISUDDOHJKMR-JHTBKMLMSA-N 443.525 4.196 5 20 IIBD Cc1nn(CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)c(C)c1[N+](=O)[O-] 8986623 PSRRZEUFUMUIIE-KRWDZBQOSA-N 427.848 4.032 5 20 IIBD C[C@@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)Nc1ccc(Cl)cc1 11277655 HQABXOVFDQSLRL-OAHLLOKOSA-N 434.879 4.379 5 20 IIBD COc1c([N+](=O)[O-])cc(NCCc2c[nH]c3ccccc23)c([N+](=O)[O-])c1Br 14206515 ZXXFJVFCFCSORM-UHFFFAOYSA-N 435.234 4.410 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O 18077071 NWHZJGQMKCVLDK-UHFFFAOYSA-N 432.358 4.029 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)COc1ccc(Cl)c2ccccc12 19486400 YTWNDESSOLVBFM-UHFFFAOYSA-N 428.828 4.271 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3nnc(-c4ccccc4)s3)cc2)c(C)c1[N+](=O)[O-] 20016080 VPNNEYOTVCKDDR-UHFFFAOYSA-N 434.481 4.227 5 20 IIBD CC(C)Cn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nc2ccc(Cl)cc2c1=O 22040937 HWTXROMAQZIQQP-UHFFFAOYSA-N 446.916 4.345 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c([N+](=O)[O-])c1 22412346 VKPJNZAPKKFXAT-UHFFFAOYSA-N 442.453 4.048 5 20 IIBD Cc1cccc(N(Cc2ccccc2)C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 26904238 CHTMLCQDHWBLMN-UHFFFAOYSA-N 435.505 4.328 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)NCC(F)(F)F 27404504 FIHUQKNEBMSEBW-LLVKDONJSA-N 427.404 4.006 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H](CN1CCCC1)c1ccccc1 29179345 NBBOLSKKKBNNDN-QHCPKHFHSA-N 425.532 4.108 5 20 IIBD O=C(NCCC(c1ccccc1)c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 31731745 YMYYDIXQRXOSNH-UHFFFAOYSA-N 445.523 4.044 5 20 IIBD Cc1nc(CSc2ccccc2C(=O)NCCNc2ccc([N+](=O)[O-])cc2)cs1 33180025 VWBHPZZSZZDQSY-UHFFFAOYSA-N 428.539 4.494 5 20 IIBD CCCOc1c(Cl)cc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1OC 59057062 QHKQZZSGXYDNTG-UHFFFAOYSA-N 433.892 4.008 5 20 IIBD O=C(NCCNc1nc2ccccc2s1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 65099806 QSARCSIVEGVVDA-UHFFFAOYSA-N 425.495 4.170 5 20 IIBD Cc1cc(OC[C@@H](O)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)c(C(C)C)cc1Cl 71949857 IOVDPVBVAFWPAF-KRWDZBQOSA-N 430.892 4.378 5 20 IIBD O=C1[C@@H](Sc2nn(-c3ccccc3)c(=S)s2)CCN1c1cccc([N+](=O)[O-])c1 78768090 YKOPGJXLAGPOAQ-HNNXBMFYSA-N 430.536 4.469 5 20 IIBD COc1ccc([C@@H]2CCN(C(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)cc1 109931213 XIPRBHFZVTVNNA-OAHLLOKOSA-N 437.418 4.440 5 20 IIBD Cc1cc(F)ccc1N1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 301252356 AHYZEXZVTHPLBV-LJQANCHMSA-N 426.492 4.359 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)s1 301944341 ZGLDSCZWDBSNHL-AWEZNQCLSA-N 447.941 4.101 5 20 IIBD Cc1cc(C)c2nc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)sc2c1 303175131 RUDGIUWQTQQKDE-KRWDZBQOSA-N 438.509 4.373 5 20 IIBD O=C(Nc1nc(-c2ccccc2F)cs1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303540543 YKFYAXTYUSJNDO-AWEZNQCLSA-N 446.485 4.162 5 20 IIBD CC[C@@H](NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1OCC(=O)N1CCCC1 409680170 UVVBZFZETOJSKS-LJQANCHMSA-N 440.500 4.177 5 20 IIBD O=C(Nc1ccc(Oc2cccc(F)c2F)nc1)c1cc([N+](=O)[O-])ccc1SCCO 427795402 GVNAQTVNPXJGCZ-UHFFFAOYSA-N 447.419 4.397 5 20 IIBD O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCn2c(nnc2C2CCCC2)C1 428261138 OWXUNTBPMFSRMK-UHFFFAOYSA-N 432.484 4.244 5 20 IIBD C[C@@H](N1CCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1)C(F)(F)F 428901460 PQFULNOTQWRBKA-CQSZACIVSA-N 438.406 4.487 5 20 IIBD COc1cccc(Cn2nccc2NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1OC 429529316 RBPDJAKNXWRRGP-OAHLLOKOSA-N 439.472 4.048 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 431113953 WFQVLZLMYQQRKG-HXUWFJFHSA-N 429.904 4.194 5 20 IIBD C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CC[S@](=O)C1 432581779 YSIQFRSKRLYAIW-QYSRSOONSA-N 438.958 4.240 5 20 IIBD Cc1noc(C2CN(C(=O)c3cccc(Sc4ccc(Cl)cc4)c3[N+](=O)[O-])C2)n1 434383409 AECATCADPKIEIS-UHFFFAOYSA-N 430.873 4.330 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 436484093 DNDXXVICYVZPDV-UHFFFAOYSA-N 428.338 4.300 5 20 IIBD COc1ccc(CCN(Cc2ccsc2)C(=O)c2ccc([N+](=O)[O-])cc2O)cc1OC 436993124 YQVPLQSMSSXHMT-UHFFFAOYSA-N 442.493 4.264 5 20 IIBD COC(=O)COc1c(C)cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1C 437299060 PYEDEQSKHICALV-UHFFFAOYSA-N 441.465 4.139 5 20 IIBD O=C(Nc1cccc(OCC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1)c1ccco1 437471640 JKNWSEBDFNOPAJ-UHFFFAOYSA-N 435.436 4.010 5 20 IIBD C[C@@H]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 438171894 FOWHVRIYKKYTOQ-VLIAUNLRSA-N 449.429 4.343 5 20 IIBD O=C(Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444234903 WODIZORKSDLMIF-UHFFFAOYSA-N 434.377 4.741 5 20 IIBD O=C(CCSc1ccc(Br)cc1)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444633526 UGAHQOCRYFZWHS-UHFFFAOYSA-N 435.303 4.032 5 20 IIBD COc1cc(-c2nc(-c3cnn(-c4cccc(Cl)c4)c3)no2)cc([N+](=O)[O-])c1OC 445649748 JQLCWMBNYIBONO-UHFFFAOYSA-N 427.804 4.168 5 20 IIBD Cc1cc(NC(=O)c2c(F)cc(Br)cc2F)n(-c2ccc([N+](=O)[O-])cc2)n1 445717779 ITDMVHPNBOGVQC-UHFFFAOYSA-N 437.200 4.382 5 20 IIBD CCN(CC)Cc1cccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1 445841631 GVRPLGHHSFDFPM-UHFFFAOYSA-N 434.334 4.058 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N(CCc1ccc(Cl)cc1)CC1CC1 446904320 KVVHPJSYJFJPSA-UHFFFAOYSA-N 427.892 4.289 5 20 IIBD CCc1nc2ccccc2n1C1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1 447812479 RNKCOPHAECVKJG-UHFFFAOYSA-N 449.555 4.181 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C(=O)NCC(F)(F)F)ccc1C 462430019 SFRDIVXUARWNAZ-HNNXBMFYSA-N 437.418 4.403 5 20 IIBD C[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)Oc1cccc(Br)c1 462934437 BDFYNTNRVXKAPR-CQSZACIVSA-N 448.317 4.473 5 20 IIBD COc1ccc(O[C@@H](C)CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1 464147329 ZUTBUDOGFCXUKP-KRWDZBQOSA-N 435.480 4.413 5 20 IIBD C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1I)Sc1ccccc1 464245762 PAYHKDGOCKVLRY-LLVKDONJSA-N 442.278 4.110 5 20 IIBD CCN(C)C[C@@H]1CCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 464793772 ORBARLDIAZNVKQ-KKSFZXQISA-N 430.936 4.202 5 20 IIBD CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 466438780 PTQHPRJHLAXXLK-OLZOCXBDSA-N 435.933 4.432 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cnc(Sc2nccn2C)c(Cl)c1 466523518 YCKSNRFHSXWTLU-UHFFFAOYSA-N 433.877 4.179 5 20 IIBD CN(CC(C)(C)O)C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 467677297 HBFMNBQTJDACNE-VBKFSLOCSA-N 425.510 4.365 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Sc1nnc(-c2ccc3ccccc3c2)o1 468715786 RURDDXOWNOQYQK-UHFFFAOYSA-N 427.463 4.353 5 20 IIBD C[C@@H]1OCC[C@@]12CN(C(=O)c1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)CCO2 470656844 CONCHBIGKXFBSV-LHSJRXKWSA-N 432.860 4.061 5 20 IIBD COc1cc(C(=O)N[C@H]2CCCO[C@@H]2c2ccc(C)cc2)c([N+](=O)[O-])cc1OC(F)F 470772903 MCJUGDXTCZXTAX-HNAYVOBHSA-N 436.411 4.163 5 20 IIBD COc1cccc([C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])c2cc(F)ccc2OC)c1 472055627 WQYWYAKGQWAGTR-QHCPKHFHSA-N 439.443 4.069 5 20 IIBD O=C1CCC[C@H]1[C@H]1COCCN1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 475127408 FCVUJIOJKHXBFR-XZOQPEGZSA-N 446.507 4.018 5 20 IIBD CCn1c(SCc2c([N+](=O)[O-])ncn2C)nc2scc(-c3cccs3)c2c1=O 476515464 PGSMEUANFXJEQO-UHFFFAOYSA-N 433.540 4.140 5 20 IIBD C[C@H](C(=O)Nc1c(Cl)cc(Cl)cc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 477057559 JFVDPGNGQVBPBF-MRVPVSSYSA-N 437.688 4.356 5 20 IIBD COC1(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CCC(C)CC1 477326973 PGPMQJSMFLPWBO-BNGSBABLSA-N 426.517 4.488 5 20 IIBD COc1cc(C(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])c1C 477772299 KWRYKBMZVQPOEA-UHFFFAOYSA-N 427.284 4.243 5 20 IIBD O=C(Nc1cccc(-n2cc(C(F)(F)F)cn2)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 477913529 ZWWKTXSOOBEBLJ-UHFFFAOYSA-N 442.357 4.237 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 478981883 JCZHNJUBPCPCQX-UHFFFAOYSA-N 449.960 4.258 5 20 IIBD CCn1nc(C)c([N+](=O)[O-])c1Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 480016488 NTRVDDYRVNSOGA-UHFFFAOYSA-N 436.440 4.115 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1nc2ccccc2n1CCc1ccccn1 480370647 HMTYTSNMXXBWCV-UHFFFAOYSA-N 440.463 4.176 5 20 IIBD Cc1c(C2CCCCC2)noc1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 485524574 SRNVXKQMKOIRAS-UHFFFAOYSA-N 428.445 4.266 5 20 IIBD COc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)cc([N+](=O)[O-])c1C 485543330 IUZLCEAXNJZHTJ-UHFFFAOYSA-N 449.394 4.104 5 20 IIBD CN1C(=O)C[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(Cl)c(Cl)c1 485608682 NZNGBGDRAJFNDH-DIFFPNOSSA-N 426.231 4.199 5 20 IIBD COC(=O)c1cc(NC(=O)NC[C@H]2CCCO[C@H]2c2ccc(C)cc2)c(C)c([N+](=O)[O-])c1 486860200 RVGQLSUXYIBJHU-UTKZUKDTSA-N 441.484 4.288 5 20 IIBD COc1cc(-c2noc(-c3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)cc(OC)c1OC 486973787 WVZWRARRTQKQDQ-UHFFFAOYSA-N 425.319 4.356 5 20 IIBD O=C(c1ccc(Br)c(C(F)(F)F)c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 487019680 ZEZVCSFPSCHZIU-UHFFFAOYSA-N 447.211 4.050 5 20 IIBD CC(C)CCn1ncc(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1C(C)C 487602610 DIFQZLDPMOZVKT-UHFFFAOYSA-N 428.537 4.315 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C 488464659 KGSSCTPETKKDOC-GJYPPUQNSA-N 431.920 4.042 5 20 IIBD C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 488976631 HWOWDNAJLBOZRM-SFHVURJKSA-N 449.511 4.034 5 20 IIBD CCOc1ccc(NC(=O)CNc2ccc(NC(C)=O)cc2C(F)(F)F)c([N+](=O)[O-])c1 493064323 ZEZWQIRSXWGWEC-UHFFFAOYSA-N 440.378 4.021 5 20 IIBD COc1ccc(C[C@@H](NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])c2ccc(OC)cc2)cc1 499053832 HRBDHTUPTXYYLQ-JOCHJYFZSA-N 449.507 4.433 5 20 IIBD CNC(=O)c1ccc(Cl)c(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1 500313583 FNYDZMQMDYSUDB-ZIAGYGMSSA-N 444.919 4.342 5 20 IIBD Cc1ccc(-c2cc(NC(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)n[nH]2)s1 500841267 WDGVYSGEDVEGDV-UHFFFAOYSA-N 436.497 4.469 5 20 IIBD COc1ccc(CNC(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)cc1[N+](=O)[O-] 502303643 GEIRNLBPVNSHEZ-IBGZPJMESA-N 440.887 4.435 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 502404851 IAWSDHRWAIWPGO-DOMZBBRYSA-N 438.839 4.351 5 20 IIBD Cn1cc(C(=O)NCCc2nc3cc(Cl)ccc3s2)c(-c2ccc([N+](=O)[O-])cc2)n1 506068109 BCYCFUFTQWGRRD-UHFFFAOYSA-N 441.900 4.231 5 20 IIBD CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1OC 506652616 GYWTXXRKPGXHEV-UGKGYDQZSA-N 425.485 4.322 5 20 IIBD CC(C)c1cnc(-c2ccc(NC(=O)C(=O)N(C)CCc3ccccc3[N+](=O)[O-])cc2)o1 506761634 JAAFAYRBDFTPIP-UHFFFAOYSA-N 436.468 4.013 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CCN2C[C@H](C)O[C@H](C)C2)CC1 507284989 TXPOLVJJHBEGEY-HDICACEKSA-N 449.617 4.448 5 20 IIBD O=C(Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1)c1coc(C2CCOCC2)n1 509399628 AEIACLIMPBIABF-UHFFFAOYSA-N 449.423 4.175 5 20 IIBD O=C(N[C@@H](C[C@H]1CCOC1)c1ccccc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 512290274 SPLKXRWXRIBEJA-KDOFPFPSSA-N 438.402 4.434 5 20 IIBD Cc1ccnc(Oc2cc(NC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)ccc2C)c1 513445229 RXFGZHVKJJXMGE-UHFFFAOYSA-N 441.465 4.055 5 20 IIBD O=C(NC[C@@H](c1ccccc1)N1CCc2sccc2C1)c1n[nH]c2ccc([N+](=O)[O-])cc12 514174403 MHRVWJUOYFWUNY-FQEVSTJZSA-N 447.520 4.062 5 20 IIBD COc1ccc(CNC(=O)NCc2ccccc2CN(C)C2CCCCC2)cc1[N+](=O)[O-] 516150219 IIDIOGNMMOHPIH-UHFFFAOYSA-N 440.544 4.367 5 20 IIBD CCCc1[nH]nc(C(=O)N[C@@H](C)c2ccc(OCc3ccccc3)c(OC)c2)c1[N+](=O)[O-] 518335490 KLAZHIZOIFXWMD-HNNXBMFYSA-N 438.484 4.349 5 20 IIBD O=C(NCc1n[nH]cc1Br)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 518817277 MNQKYJDSVKCTAL-UHFFFAOYSA-N 433.287 4.162 5 20 IIBD COc1cc(C(=O)Nc2ccc3nc(N(C)C)ccc3c2)c([N+](=O)[O-])cc1OC(F)F 520262842 YIGYGHGEGZCKFG-UHFFFAOYSA-N 432.383 4.071 5 20 IIBD CCCc1[nH]nc(C(=O)N[C@@H](C)c2ccc(OCc3ccc(F)cc3)cc2)c1[N+](=O)[O-] 521889913 POBDGWZOVVMBTO-AWEZNQCLSA-N 426.448 4.480 5 20 IIBD CCOC(=O)Cn1ccc2cc(NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)ccc21 522723961 PXWAVEUYBTWKMG-AWEZNQCLSA-N 427.482 4.232 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3c4ccccc4C[C@H]3O)o2)c(Br)c1 530773864 WDSZQTCACHJNNE-UYAOXDASSA-N 429.270 4.365 5 20 IIBD COc1ccccc1[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccn1 534107480 BGHAPJRUVKKHMS-MHZLTWQESA-N 449.510 4.464 5 20 IIBD O=C(NCc1cccc(COCc2ccco2)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 534273003 MQWVPKYFNGPGGX-UHFFFAOYSA-N 432.436 4.020 5 20 IIBD O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 535561298 MOLVSDZBDHVUKY-INIZCTEOSA-N 443.463 4.115 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CCN2CCCC2)c1 535812930 VUGVHDSQNGABRK-UHFFFAOYSA-N 429.542 4.224 5 20 IIBD COc1cc([C@@H](C)NCc2ccc(C(N)=O)cc2[N+](=O)[O-])ccc1OCc1ccccc1 537053844 GERMOSHRQFEZBA-MRXNPFEDSA-N 435.480 4.132 5 20 IIBD Cc1c(Br)cc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] 537246190 CIOGKDVQKMRCSL-WBVHZDCISA-N 441.228 4.204 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](Cc1cccc(F)c1)c1cccc(F)c1 538212811 XUUJRJOYEWUMNH-OAQYLSRUSA-N 441.434 4.394 5 20 IIBD COc1ccc(-n2ccc(C(=O)N(C)c3nc(-c4ccccc4[N+](=O)[O-])cs3)n2)cc1 538251122 DHKIPYKRPCMQJQ-UHFFFAOYSA-N 435.465 4.189 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O 539292042 IVPZLJQPYNBGIB-MRXNPFEDSA-N 433.917 4.284 5 20 IIBD COc1cc(F)c([C@@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC 540392874 CILZPPZXRHWHOD-GHMZBOCLSA-N 425.844 4.082 5 20 IIBD Cc1cccc([C@H]2CCN(C(=O)c3cc(I)cc([N+](=O)[O-])c3)C2)c1 541390335 PQBJWUJHOMYYMG-AWEZNQCLSA-N 436.249 4.138 5 20 IIBD COc1ccc2oc([C@H](C)NCCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)c(C)c2c1 543510889 QJLAUSFAYQIDNJ-AWEZNQCLSA-N 427.457 4.346 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1CCN2C(=O)COC 543511833 KSUQJZJGOLEGGO-UHFFFAOYSA-N 443.525 4.275 5 20 IIBD O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 545340207 XYQCVRHMMQNCCK-XMSQKQJNSA-N 443.475 4.207 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CN2C(=O)CCCC2=O)cc1 546161683 FVSFPRQNXHUMLM-UHFFFAOYSA-N 441.509 4.388 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NC1Cc2ccccc2C1 547241350 JWCKXVZRHYCMCE-UHFFFAOYSA-N 438.487 4.274 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cccn(Cc2ccccc2)c1=O 555850158 HUJRKOKXFKZZQB-UHFFFAOYSA-N 442.269 4.128 5 20 IIBD COC(=O)c1cc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)n2)c[nH]1 555963903 AAHKWWKJJJWGAE-UHFFFAOYSA-N 440.359 4.104 5 20 IIBD C[C@@H](C(=O)N1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1)c1cccc([N+](=O)[O-])c1 562395378 YFFPVENOEHMVMN-OAHLLOKOSA-N 430.892 4.118 5 20 IIBD O=[N+]([O-])c1cc2c(NCCCOC3CCN(Cc4ccccc4)CC3)ncnc2s1 567188380 NXYWQNWNVOCTBC-UHFFFAOYSA-N 427.530 4.083 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1c(Cl)cccc1-n1ccnc1 573022352 BXTNNSXIPGITBF-UHFFFAOYSA-N 449.692 4.055 5 20 IIBD O=C(Nc1ccc(I)cc1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 575884440 DMYWEEOGHIJSGV-UHFFFAOYSA-N 436.127 4.471 5 20 IIBD O=C(NCCn1cc(Br)cn1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 577307297 KULUGKDEEJQKCP-UHFFFAOYSA-N 447.314 4.135 5 20 IIBD O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)Nc1ccccc1Oc1ccccc1 581274792 HCQJWPNKNTUMBV-UHFFFAOYSA-N 444.447 4.166 5 20 IIBD C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C1 587989443 QUNOYYFMFLNKAM-CRAIPNDOSA-N 437.525 4.488 5 20 IIBD O=C(N[C@H]1CC[C@@](O)(C(F)(F)F)C1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 590433156 SGONHVYOYVDRPK-UGSOOPFHSA-N 432.464 4.453 5 20 IIBD Cc1ccc(-n2c(SCCn3c([N+](=O)[O-])cnc3C)nc3ccccc3c2=O)cc1C 601915627 BITZQSRBECSOPP-UHFFFAOYSA-N 435.509 4.208 5 20 IIBD COCCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@@H](C)c1cccc(C(F)(F)F)c1 603530180 NQVKPBUTLCVGIV-ZDUSSCGKSA-N 426.391 4.472 5 20 IIBD O=C(CCCOc1ccccc1)Nc1ccc(CNC(=O)c2ccc([N+](=O)[O-])s2)cc1 603761599 JTGPZDACXUWGMU-UHFFFAOYSA-N 439.493 4.384 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 604475568 XMBKGCJSHFZETA-UHFFFAOYSA-N 425.828 4.295 5 20 IIBD O=C(c1csc(-c2ccccc2Cl)n1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 608937935 ONOIBTFKGHAXBV-UHFFFAOYSA-N 428.901 4.334 5 20 IIBD COc1cccc(CC(=O)N2CCc3ccc(Nc4nc5sccn5c4[N+](=O)[O-])cc32)c1 608973891 UYWYBOIZSPGYMG-UHFFFAOYSA-N 449.492 4.188 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCCN(Cc2cscn2)CC1 608974246 YSIOVBJZQTZIMW-UHFFFAOYSA-N 448.346 4.074 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ncccc2OC(F)F)cc1[N+](=O)[O-])c1ccccn1 609025330 DEIIUPNICYUJNE-GFCCVEGCSA-N 429.383 4.412 5 20 IIBD CCCCC(=O)N1CSC[C@@H]1C(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 609055701 QFDJVTWJOUYXIM-MRXNPFEDSA-N 434.543 4.057 5 20 IIBD CSc1nnc(CCCNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)n1C1CCCC1 609085121 YCJLJQNYYOOVRU-AWEZNQCLSA-N 432.550 4.016 5 20 IIBD CN1CCN(c2ccc(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)c(C(F)(F)F)c2)CC1 609463175 XBOCHNLXUGVJEO-UHFFFAOYSA-N 447.417 4.099 5 20 IIBD COc1ccc(S(=O)(=O)N(Cc2ccccc2F)c2ccc(F)cc2)cc1[N+](=O)[O-] 609542808 XFDCTAPQQRHFPZ-UHFFFAOYSA-N 434.420 4.277 5 20 IIBD CN(Cc1cn[nH]c1)C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 609624466 DZYYRMLTQSZILN-UHFFFAOYSA-N 425.495 4.351 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1O[C@H](C)c1ccccc1 609667028 ZCSWGHYNUUILPH-IAGOWNOFSA-N 433.464 4.492 5 20 IIBD CSC[C@@](C)(O)CNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 609998498 FVPXBYJPHQJYQM-IBGZPJMESA-N 449.579 4.200 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3c4ccccc4N(C)CC[C@H]3C)cc2)c(C)c1[N+](=O)[O-] 610209382 VMWOBXCTDAIFPF-MRXNPFEDSA-N 433.512 4.332 5 20 IIBD Cc1ccccc1CN(Cc1ccccn1)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] 610211082 RKJOCQGYGHKMKZ-UHFFFAOYSA-N 441.491 4.470 5 20 IIBD CCOC(=O)c1cc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])ccc1Cl 610570777 MSSFYYLZILZUCG-UHFFFAOYSA-N 427.638 4.440 5 20 IIBD CN(C[C@H](O)C1CC1)C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 610707585 HVKDMBRVQDOYBP-KRWDZBQOSA-N 437.855 4.092 5 20 IIBD O=C(Nc1cccc(CN2CCCC2=O)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 681958209 DATDQJFYOPHHCD-UHFFFAOYSA-N 447.441 4.334 5 20 IIBD COc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 725793488 DMAABXDBJPHDRW-INIZCTEOSA-N 449.463 4.112 5 20 IIBD C[C@@H](NC(=S)/C(=C(/O)c1ccc([N+](=O)[O-])cc1)[n+]1cccc(O)c1)c1cccs1 726579426 KCYKLHFJIOJKDL-CYBMUJFWSA-O 428.515 4.211 5 20 IIBD O=C(Cc1cc(Cl)ccc1Cl)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730705704 ZDOHIDYYKHQUPK-OAHLLOKOSA-N 437.279 4.292 5 20 IIBD Cc1nn(Cc2ccc(C(=O)O[C@H]3CCCc4ccccc4C3=O)cc2)c(C)c1[N+](=O)[O-] 731507719 HMLDPLLYQOSEOE-NRFANRHFSA-N 433.464 4.201 5 20 IIBD CC(C)n1c(S)nnc1C1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 731639710 YDANSFPSEJOBFI-UHFFFAOYSA-N 431.562 4.373 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1Nc1ccc(OCC(F)(F)F)cc1 731921474 BSWCYRLEWPDEPM-UHFFFAOYSA-N 426.319 4.276 5 20 IIBD C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1csc2ccccc12 731990255 IMTLUAHJEFXESF-WFASDCNBSA-N 429.523 4.353 5 20 IIBD O=C(O[C@H](Cc1ccc(Cl)cc1)C(F)(F)F)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 733946519 AHXLLIOPFLOMDY-MRXNPFEDSA-N 440.765 4.159 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@H](c2c(F)cccc2F)N(C)C)CC1 734442585 APXYQVIKLVGUMY-OAQYLSRUSA-N 446.498 4.142 5 20 IIBD CCNC(=O)c1ccc(OC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 734777199 CWPMUENSIOJCIE-HNNXBMFYSA-N 434.452 4.132 5 20 IIBD C[C@H](OC(=O)[C@@H]1CCCN(Cc2ccccc2)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 735941302 ZCLREJGTDNHPGS-DOTOQJQBSA-N 445.903 4.031 5 20 IIBD CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)c1ccc(F)cc1F 738401692 SNZRPUZRSVUIMU-AWEZNQCLSA-N 435.246 4.065 5 20 IIBD COc1cc(N2CCC(OC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC2)ccc1[N+](=O)[O-] 739383687 BDPUZLWEDZQXIV-UHFFFAOYSA-N 441.396 4.084 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccncc1F 741376709 KXAPTYHRXXQFIC-SFHVURJKSA-N 429.791 4.319 5 20 IIBD COc1ccc(NC(=O)CNc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)c([N+](=O)[O-])c1 742264258 VVQGLLAZOXRYLA-CQSZACIVSA-N 444.488 4.240 5 20 IIBD Cc1ccc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1NC(=O)OC(C)(C)C 742476570 ATQGDJWLONVZDH-UHFFFAOYSA-N 440.500 4.213 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)c1cc(F)c(F)cc1F)c1cccc([N+](=O)[O-])c1 747391710 SVOHBSYXZBLXFN-AWEZNQCLSA-N 436.386 4.254 5 20 IIBD CC[C@@H](OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(NC(C)=O)cc1 748870261 QOUKATFMFHSJFC-ORAYPTAESA-N 430.482 4.239 5 20 IIBD C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-] 750574771 AHUADLBAFCYUCK-NSHDSACASA-N 445.884 4.119 5 20 IIBD Cc1ccc(-n2c(SCc3nc4cc([N+](=O)[O-])ccc4o3)nc3ccccc3c2=O)nc1 751465920 JTIVGSKQAPSAQY-UHFFFAOYSA-N 445.460 4.431 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1[N+](=O)[O-] 752025460 YEIMDJIYACBUKP-HNNXBMFYSA-N 428.445 4.125 5 20 IIBD O=C(Nc1ccc(OC(=O)c2csc([C@@H]3CCCO3)n2)cc1)c1cccc([N+](=O)[O-])c1 755428952 FXTWXFZUFFWDJR-SFHVURJKSA-N 439.449 4.374 5 20 IIBD CSc1cc(C)ccc1CNC(=O)c1cc([N+](=O)[O-])ccc1I 756996721 LGNQEDFPIXHVKA-UHFFFAOYSA-N 442.278 4.160 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N2CCCCC[C@H]2C[C@H](O)c2ccco2)c([N+](=O)[O-])c1 759248560 PRDUKDBCPKLTDK-PXNSSMCTSA-N 438.484 4.025 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N1CCC2(CCOC2)CC1 761059750 RCBKQKYWLCMVAV-FQEVSTJZSA-N 429.904 4.431 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1NCCCCc1ccc([N+](=O)[O-])cc1 762769240 ZXNOZUYPDYONAZ-YPAWHYETSA-N 447.576 4.312 5 20 IIBD C[C@H](C(=O)OCc1nnc(-c2ccc(Br)cc2)o1)c1cccc([N+](=O)[O-])c1 763420368 NNPXBTFPWAHECZ-NSHDSACASA-N 432.230 4.254 5 20 IIBD O=C(Nc1ccc(CNC(=O)c2cc(F)c([N+](=O)[O-])cc2F)cc1)c1ccc(F)cc1 763429483 GBOJHUCJTNVBIQ-UHFFFAOYSA-N 429.354 4.194 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)Nc1cccc(Cl)c1 763810897 QZURTGGJTFUEEO-LBPRGKRZSA-N 438.889 4.171 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 764200655 YOYZSPYCFNANRF-IBGZPJMESA-N 431.533 4.369 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN(C)CCCOc2ccccc2)c1=S 764892253 YYVSDNSZUUBGJD-UHFFFAOYSA-N 427.530 4.368 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)cc1Cl 765490598 SOSYXDNMTXUCNU-UHFFFAOYSA-N 441.912 4.118 5 20 IIBD CCCc1nc(C(=O)OCc2cc(OC)c(F)cc2[N+](=O)[O-])nn1-c1ccccc1Cl 766201729 QKDGCVOHTNQNHY-UHFFFAOYSA-N 448.838 4.286 5 20 IIBD O=C(c1ccc(N2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)c([N+](=O)[O-])c1)N1CCOCC1 767210566 VNTALXJINRCAFV-QGZVFWFLSA-N 449.429 4.080 5 20 IIBD CN(c1ccccc1)c1ccc(CN2CCC([C@H](O)c3nccn3C)CC2)cc1[N+](=O)[O-] 769435944 WAVRHFSKSJVZSU-QHCPKHFHSA-N 435.528 4.042 5 20 IIBD CN(CCC1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1)C(=O)OC(C)(C)C 770196906 JQTOLSYODDEIJB-UHFFFAOYSA-N 430.505 4.185 5 20 IIBD O=C(O[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1c(Cl)cccc1[N+](=O)[O-] 770369795 ICCCSCXCMOWOFW-AWEZNQCLSA-N 428.750 4.229 5 20 IIBD CC[C@@H](C)c1ccc(NC(=O)Cc2noc(COc3ccc([N+](=O)[O-])c(F)c3)n2)cc1 771061716 QTAIXBUTEDIJEZ-CYBMUJFWSA-N 428.420 4.391 5 20 IIBD O=C(Cc1csc(NC(=O)c2ccccc2F)n1)OCc1cc(Cl)ccc1[N+](=O)[O-] 775850634 XFPZLSDVYFTCBD-UHFFFAOYSA-N 449.847 4.382 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(-n2ccnc2C)nc1 777366621 IDSJZHJWMCXMEM-UHFFFAOYSA-N 425.514 4.306 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)Nc1cc(Cl)ccc1F 778890992 MFIQTGWUDDVCBA-MRVPVSSYSA-N 432.738 4.173 5 20 IIBD Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 781735898 DCYJXHDDKBOFPC-ZDUSSCGKSA-N 449.847 4.276 5 20 IIBD Cc1ccc([C@H](C)NCC2(CN[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)COC2)cc1[N+](=O)[O-] 782497979 RGLWJNMENBHGBT-HDICACEKSA-N 442.516 4.138 5 20 IIBD Cc1cc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)ccc1N1CCOCC1 783075486 IEFJRYJGKYZULQ-UHFFFAOYSA-N 434.290 4.063 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCSc2nnc(-c3ccc4ccccc4c3)o2)cc1 783893658 DAVDBYYAVYUZOW-UHFFFAOYSA-N 441.490 4.364 5 20 IIBD Cc1cc(F)cc(C(=O)OCc2nnc(-c3ccccc3Br)o2)c1[N+](=O)[O-] 784053976 JEZUBMYXHOYSMX-UHFFFAOYSA-N 436.193 4.212 5 20 IIBD C[C@@H]1CC(=O)Oc2cc(OC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])ccc21 785377541 DNCQGGYITQVOSP-SNVBAGLBSA-N 425.315 4.168 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccc(F)nc1 785636794 IZVONPUAVKBXTB-SFHVURJKSA-N 429.791 4.319 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1C(=O)N(C)C(C)C 785700507 ZAGVACVKCZVTOF-UHFFFAOYSA-N 428.445 4.161 5 20 IIBD Cc1cc(F)cc(C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)c1[N+](=O)[O-] 789718217 ZZMMYNGMYXKIAF-HNNXBMFYSA-N 440.258 4.275 5 20 IIBD Cc1cc(Br)oc1C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791175163 VZZNJVVYLCRNFX-UHFFFAOYSA-N 444.079 4.220 5 20 IIBD C[C@H](CC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C(=O)c1cccc(F)c1 791175380 ZXSCIIOWPNHHFG-GFCCVEGCSA-N 449.276 4.290 5 20 IIBD O=C(OCc1ccccc1)[C@H]1CCCCN1C(=O)c1ccc(Br)c([N+](=O)[O-])c1 791961693 OWDLGUHBRBWVSX-QGZVFWFLSA-N 447.285 4.095 5 20 IIBD Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 792473827 SSMYBWCPRFXOAC-ZDUSSCGKSA-N 435.274 4.467 5 20 IIBD CCN(c1ccc(NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1)C(C)C 793037430 ZTNMAVYWFCMGCL-UHFFFAOYSA-N 449.305 4.169 5 20 IIBD Cc1cc(F)cc(C(=O)N2CCC([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1[N+](=O)[O-] 794029118 LTAZANZHWVEJPV-MRXNPFEDSA-N 435.496 4.152 5 20 IIBD O=[N+]([O-])c1cc(Cl)c(OS(=O)(=O)c2cc3ccc(Cl)nc3cc2F)cc1F 796212647 RCCZULCLTUFAJG-UHFFFAOYSA-N 435.191 4.496 5 20 IIBD CC(C)(C)OC(=O)NCC[C@H]1CCCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 799582955 SDYWSMLKDQPJTL-QGZVFWFLSA-N 429.521 4.043 5 20 IIBD O=C(OC[C@@H]1CCN(C(=O)c2ccccc2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 801247917 OTKVDGFCADBUFN-OAHLLOKOSA-N 437.477 4.037 5 20 IIBD COc1cc(COC(=O)c2cncc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OCC(F)F 808616920 XOPJGMVZSGEIKF-UHFFFAOYSA-N 436.289 4.018 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 808725197 PPHXKKREFCLHCW-VJANTYMQSA-N 435.569 4.196 5 20 IIBD CNC(=O)OC[C@@H]1CCCCN1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 809263716 DMCWCPVYZRIYNH-KRWDZBQOSA-N 429.498 4.097 5 20 IIBD CCN(C)C(=O)CSc1ccc([C@@H](C)OC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1 809320569 KAIAIPHNLNHLDZ-GFCCVEGCSA-N 438.452 4.361 5 20 IIBD CO[C@](C)(C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CC1 812664453 JCZPKLKEULHHPN-NQIIRXRSSA-N 432.860 4.286 5 20 IIBD Cc1cc(Nc2ccc(NC(=O)[C@@H](C)n3cncn3)cc2)c([N+](=O)[O-])cc1C(F)(F)F 814821839 ADNABZBJEZUVOD-GFCCVEGCSA-N 434.378 4.457 5 20 IIBD O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 814986062 DRNITVJYUQRZRL-NSHDSACASA-N 439.852 4.097 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2cc3ccc(C(C)C)cc3[nH]2)c([N+](=O)[O-])c1 914669069 RPOJUGVBLYGDMR-UHFFFAOYSA-N 425.441 4.394 5 20 IIBD O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1cc([N+](=O)[O-])ccc1I 915280047 ZVFMFDPJEGHWDH-FRRDWIJNSA-N 428.270 4.288 5 20 IIBD CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 916499187 XMDPYMNGMPWGAG-UHFFFAOYSA-N 430.892 4.239 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(OCc3nccn3C)cc2)CC1 917690031 UJIUWXQVQFMMSE-UHFFFAOYSA-N 449.511 4.396 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1Br 918142968 TUAFJRCLSNXKKP-UHFFFAOYSA-N 426.075 4.465 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2cc(C(C)(C)C)n[nH]2)c2ccccc2)c([N+](=O)[O-])c1 919320711 KOVJWLJANBFUCA-HXUWFJFHSA-N 436.468 4.461 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2c([N+](=O)[O-])c(C)nn2C)c2ccccc2)cc1Cl 920660935 JKLVYPOWXLZBGO-IBGZPJMESA-N 442.859 4.135 5 20 IIBD COc1ccc2cc(CN(C)C(=O)[C@@H](C)OC(=O)c3cc(C)cc([N+](=O)[O-])c3)ccc2c1 920906317 VTPKXMCOTUQSHJ-MRXNPFEDSA-N 436.464 4.269 5 20 IIBD CC(=O)c1ccc(OCC(=O)N(CC(F)(F)F)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 1253450552 ZQJZKOLTMGFSBU-UHFFFAOYSA-N 430.766 4.425 5 20 IIBD CCS(=O)(=O)c1cccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 1328716321 SKFQTOVFOYSPFN-UHFFFAOYSA-N 448.444 4.138 5 20 IIBD O=C(Nc1n[nH]c(-c2cccc(Cl)c2)n1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 1338208964 NQJHMPTWWAHROW-UHFFFAOYSA-N 426.845 4.409 5 20 IIBD COc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccccn4)cc3)CCC2)ccc1[N+](=O)[O-] 1787298173 VDJMAMSWCYTHEL-UHFFFAOYSA-N 446.463 4.060 5 20 IIBD COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])o4)CCC3)cc2)cc1 1787765208 OQNODAMRHHZBSD-UHFFFAOYSA-N 449.463 4.187 5 20 IIBD O=C(NC1(c2ccc(NC(=O)C3(C(F)(F)F)CC3)cc2)CCC1)c1ccc([N+](=O)[O-])o1 1789194310 JSLLNYFZSLIZLW-UHFFFAOYSA-N 437.374 4.278 5 20 IIBD C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(C2(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)CCC2)cc1 1789214616 WMGXVMZROAHABA-VFNWGFHPSA-N 437.496 4.484 5 20 IIBD Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ccc[nH]4)cc3)CCC2)cc1[N+](=O)[O-] 1789687904 YUDYPAWLLHMKDA-UHFFFAOYSA-N 432.480 4.222 5 20 IIBD CC(F)(F)C(=O)NC1(c2ccc(NC(=O)Cc3cc(F)ccc3[N+](=O)[O-])cc2)CCC1 1792311188 YKOJKFKCWGEABT-UHFFFAOYSA-N 435.402 4.066 5 20 IIBD CC(C)c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 1800524015 PKTRUZXNSYFBQD-WKCHPHFGSA-N 439.487 4.423 5 20 IIBD C[C@@]1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CSc2ccccc2[N+](=O)[O-])CC=CCC1 1802185869 SDKSQLWLOSZJFW-OIMFZILRSA-N 443.569 4.072 5 20 IIBD COc1cc(C(=O)N2CCC3(CCCN(C(=O)C4CCCCC4)C3)CC2)ccc1[N+](=O)[O-] 1808977858 QQFZAJRHTPZCOD-UHFFFAOYSA-N 443.544 4.029 5 20 IIBD C[C@@H]1CCC[C@H]1C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1828481122 WDUWZNTUFAEXQO-KFTXNAAESA-N 443.544 4.257 5 20 IIBD Cc1cc(CCCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CCC(C)C)c([N+](=O)[O-])cc1F 1847714891 WAVJRCQNGIYYKP-PMACEKPBSA-N 433.524 4.003 5 20 IIBD Cc1cc(C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c2c(C)noc2n1 12832647 OJMLZMGDMLWXJM-UHFFFAOYSA-N 432.392 4.219 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(C)n1CC(F)(F)F 16406094 PIBPHYGQJRFOKA-NSHDSACASA-N 447.797 4.413 5 20 IIBD C[C@@H](OC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 16685660 ZVZCLFYGWHRPQB-LLVKDONJSA-N 439.384 4.045 5 20 IIBD Cc1c(C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)nnn1-c1cccc([N+](=O)[O-])c1 25935510 NPYUHSUDQCTMKP-UHFFFAOYSA-N 430.424 4.269 5 20 IIBD COCCn1c(SCCC(=O)Nc2ccccc2[N+](=O)[O-])nc2cc(Cl)ccc21 26407804 XGBFKMYAAQNYBS-UHFFFAOYSA-N 434.905 4.365 5 20 IIBD Cc1nccc(-c2cccc(NC(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)c2)n1 32025388 RXYXKJQYLHBBBW-UHFFFAOYSA-N 442.479 4.474 5 20 IIBD O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 32039177 LAOLEPJDIUTCDD-UHFFFAOYSA-N 443.467 4.018 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCCOc3cccc4ccccc34)cc2)c(C)c1[N+](=O)[O-] 59581614 OWUILNOPGSJGEP-UHFFFAOYSA-N 444.491 4.418 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 64518941 AVJHORRXSYAVJW-UHFFFAOYSA-N 440.422 4.218 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 65864689 HYJPPLQGIVAGRK-UHFFFAOYSA-N 425.529 4.449 5 20 IIBD O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 106255178 BAHABIHGETVDCR-JOCHJYFZSA-N 442.947 4.415 5 20 IIBD C[C@@H](Nc1cccc(COc2ccc3c(c2)OCO3)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 108418387 PYXZBTFGEOZTGK-OAHLLOKOSA-N 435.436 4.342 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc3c4c(cccc24)CC3)ccc1[N+](=O)[O-] 110326646 YGBYSNRBTCDSBD-QFIPXVFZSA-N 429.476 4.398 5 20 IIBD Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3cc(-c4cccc([N+](=O)[O-])c4)n[nH]3)C2)c1 116303862 XNHJNMVUWUCTDO-GOSISDBHSA-N 447.495 4.093 5 20 IIBD C[C@H]1C[C@H](C)CN(Cc2ccc(CNc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])cc2)C1 301095866 MRNCFPIRLDVQEP-IRXDYDNUSA-N 431.558 4.088 5 20 IIBD Cc1cc(N2CCN(Cc3nc(O)c4c(C)c(C)sc4n3)CC2)c(Cl)cc1[N+](=O)[O-] 301461740 ZTVVKAPDWREXRU-UHFFFAOYSA-N 447.948 4.206 5 20 IIBD O=[N+]([O-])c1cnc(Sc2nnc(NCCc3cccs3)s2)c(Br)c1 301513686 DTOSTOIYHMXBHV-UHFFFAOYSA-N 444.361 4.471 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[C@@H]2c2cc(F)cc(Br)c2)s1 302208548 LKIPUCCIEWQFKJ-GFCCVEGCSA-N 449.323 4.303 5 20 IIBD CCCn1ccc2cc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)ccc21 303508206 SJYNTIOCKOBNPG-KRWDZBQOSA-N 426.498 4.264 5 20 IIBD COc1ccc(OC(F)F)c(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 426008877 DFNYIIQCNJUOKM-UHFFFAOYSA-N 449.332 4.223 5 20 IIBD O=C(O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(-c2ccc(Br)cc2)o1 426799685 JFJGRTXVLUOABJ-SFHVURJKSA-N 445.269 4.403 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 427269177 HGBAFVCQJFGDJM-AWEZNQCLSA-N 437.427 4.486 5 20 IIBD O=c1c(Br)cn(Cc2cccc3c(Br)cccc23)cc1[N+](=O)[O-] 428063500 UEFWSOQGVQYRDM-UHFFFAOYSA-N 438.075 4.483 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N(CCc1ccccc1)Cc1cccnc1 432488951 MOCSSBRZELMDRK-UHFFFAOYSA-N 442.475 4.188 5 20 IIBD Cc1noc(C2CN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccc(Cl)cc3)C2)n1 434373831 MXYWEDKCOCWWDJ-UHFFFAOYSA-N 430.873 4.330 5 20 IIBD O=[N+]([O-])c1ccc2oc(CN3CCCN(Cc4ccc(C(F)(F)F)cc4)CC3)nc2c1 434833634 XNEWALVJAVEMEA-UHFFFAOYSA-N 434.418 4.463 5 20 IIBD COc1cc(CNC[C@H]2CCCN(c3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)F 435019826 GHFOBDNGGUGGOG-MRXNPFEDSA-N 435.471 4.254 5 20 IIBD CCNc1ccc(C(=O)Nc2cc(C)nn2[C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] 435285273 PFODTFKDEIWPGW-FQEVSTJZSA-N 448.527 4.231 5 20 IIBD O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 435934896 IDPKGKIFJADIKN-SFHVURJKSA-N 425.488 4.172 5 20 IIBD CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 435940348 XYVKXYHGJQJKDS-UHFFFAOYSA-N 435.430 4.060 5 20 IIBD O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437127944 BPCQOXHAKVMLGW-UHFFFAOYSA-N 440.765 4.290 5 20 IIBD COc1ccc(NC(=O)C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)cc1[N+](=O)[O-] 438646233 DYGFKLMPIHXMFF-UHFFFAOYSA-N 433.848 4.155 5 20 IIBD CCOc1cc(-c2noc(CN(C)c3ccccc3[N+](=O)[O-])n2)cc(Br)c1O 438745524 HMGOPKUHDLKSOK-UHFFFAOYSA-N 449.261 4.148 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(C(=O)c2ccc(OC)cc2)CC1 439885040 ZYYUZMWUOSTQGB-UHFFFAOYSA-N 427.457 4.129 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CC=C(C)C)Cc1ccc(Cl)cc1 440119210 PKSLNQUNZZIHMN-UHFFFAOYSA-N 431.876 4.190 5 20 IIBD COc1ccc(OCCSCc2nc(-c3ccc(C)c(OC)c3)no2)c([N+](=O)[O-])c1 441407581 UQSREYUXUPSVQD-UHFFFAOYSA-N 431.470 4.283 5 20 IIBD CC[C@]1(C)CN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 443579210 UBSHFLQZZNWVAQ-OAQYLSRUSA-N 431.876 4.142 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c1C 443725218 PXSSBLYJUQLNSH-CQSZACIVSA-N 433.461 4.060 5 20 IIBD COc1ccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1[N+](=O)[O-] 444290735 IMUNMOLUVFBGPV-UHFFFAOYSA-N 425.347 4.129 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O 444482531 VKTXFQIABHRJDA-UHFFFAOYSA-N 440.506 4.350 5 20 IIBD Cc1nc2cc(C(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)ccc2n1Cc1ccsc1 444629302 CKPJWQVCEHCHJU-UHFFFAOYSA-N 446.492 4.169 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(-c3ccc(S(=O)(=O)Nc4ccccc4F)cc3)n2)s1 445475197 XUCRWPYTWVJULH-UHFFFAOYSA-N 446.441 4.313 5 20 IIBD Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 446404796 GLXYVIHNDPKLOX-UHFFFAOYSA-N 427.411 4.470 5 20 IIBD C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1nc(C2CCCCC2)no1 447037567 LEHRLOMELMHFLR-SNVBAGLBSA-N 448.423 4.084 5 20 IIBD COC(=O)c1cc(C(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)cc([N+](=O)[O-])c1 448182726 YKCCGXBZRHKRBU-UHFFFAOYSA-N 434.901 4.432 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1 460264652 PLHFORKHTUHPLC-ZDUSSCGKSA-N 440.843 4.302 5 20 IIBD CCc1ncsc1NC(=O)c1cc(C(=O)Nc2scnc2CC)cc([N+](=O)[O-])c1 461032221 ZIRPRFRCCQXWSP-UHFFFAOYSA-N 431.499 4.137 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCC[C@](CO)(Cc3ccccc3)C2)cc1[N+](=O)[O-] 462923144 CTQRUHDZVYAFBA-NRFANRHFSA-N 447.329 4.123 5 20 IIBD Cc1noc(-c2ccccc2)c1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 463773092 DDFQCCRAKDIRDX-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)c2cc3ccccc3c3cccnc23)cc1 464281564 ZZXXTUDCWIKHHU-MRXNPFEDSA-N 441.487 4.322 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](NC(=O)c1ccccc1Br)C(C)C 464718065 BMXVIMWHFZBAMG-GOSISDBHSA-N 448.317 4.313 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N1CCc2c(Cl)cccc21 465278371 SUQKZGKIIZQSAJ-UHFFFAOYSA-N 428.613 4.056 5 20 IIBD O=C(NCCc1nc(C(F)(F)F)cs1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 466479288 SXOURAWYZVXZDN-UHFFFAOYSA-N 426.323 4.036 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccc(Br)cc2C(F)(F)F)ccc1[N+](=O)[O-] 467429914 RBLPVJLIHADBLP-UHFFFAOYSA-N 439.209 4.485 5 20 IIBD CCOc1c(Cl)cc(NC(=O)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1Cl 467473311 BZLPRUGYHKKADR-JTQLQIEISA-N 426.256 4.116 5 20 IIBD C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c2ccccc2S1 468903718 JKSRLOYZBNBQOF-SNVBAGLBSA-N 429.317 4.047 5 20 IIBD O=C(Nc1cccnc1-c1ccc(Cl)s1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 474511395 DNOLCAYNCIBCDW-UHFFFAOYSA-N 426.845 4.205 5 20 IIBD Cc1nc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)ccc1[N+](=O)[O-] 475319765 IDZHQSDVSIZCNX-CYBMUJFWSA-N 437.283 4.096 5 20 IIBD CC(=O)N(c1ccc(C)c(C)c1)c1nc(CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cs1 477042022 HDIJQGBHZUOCLC-UHFFFAOYSA-N 445.522 4.327 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F 478469210 REYYUKZOOYXELM-MRXNPFEDSA-N 441.793 4.072 5 20 IIBD CC(C)[C@@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 480376617 NFDYWXUYAFDVEJ-OAQYLSRUSA-N 436.468 4.140 5 20 IIBD Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 481336189 ATOSGFRWTAFPBQ-UHFFFAOYSA-N 433.287 4.494 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1ccc(OC(F)(F)F)cc1 482798182 XMZXWARNWOOIHP-NSHDSACASA-N 430.404 4.069 5 20 IIBD O=C(Nc1cccc(N2CCCNC2=O)c1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 485728448 ZLBBJUKVMQBSBU-UHFFFAOYSA-N 446.463 4.346 5 20 IIBD Cn1cnc([N+](=O)[O-])c1CSc1nc2cc(F)ccc2n1CCOc1ccccc1 486029306 OEHJPBVFNIKBBO-UHFFFAOYSA-N 427.461 4.188 5 20 IIBD C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 486843173 HKXARJPFIXIGCH-NVTAWBTOSA-N 447.495 4.026 5 20 IIBD O=[N+]([O-])c1cc(CNCc2cnc3ccc(Br)cn23)cc(C(F)(F)F)c1 487183921 FNNPVWROAZAMIZ-UHFFFAOYSA-N 429.196 4.314 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 488309288 WLHDTTMHBVCXCK-UHFFFAOYSA-N 427.892 4.093 5 20 IIBD Cc1cccc(Oc2ccc(NC(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)cn2)c1C 488515326 LJEFUOMHHRLERM-UHFFFAOYSA-N 436.472 4.464 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1sc2c(c1C(=O)c1ccco1)CC[C@@H](C)C2 488862411 FNLSJQVDNIRBGQ-GFCCVEGCSA-N 442.497 4.139 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 489297195 VTOKXJQUVQUSKX-UHFFFAOYSA-N 435.271 4.313 5 20 IIBD CCn1c(S[C@@H](C(=O)NC2CCCCC2)C(C)C)nnc1-c1ccc([N+](=O)[O-])cc1 489434167 HZUNNYVVQPUMNG-GOSISDBHSA-N 431.562 4.439 5 20 IIBD CCCN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H](C)C(=O)Nc1ccccc1C 490052277 FNZJVETUNRIREU-SFHVURJKSA-N 426.517 4.279 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N[C@H]1CCc2ccc(-c3ccccc3)cc21 490465619 VVFPXULDHLLXOK-FQEVSTJZSA-N 449.894 4.449 5 20 IIBD COc1c(F)cc(S(=O)(=O)N(C)[C@H](C)c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 490704483 KRXAKNVHDCBUGI-SECBINFHSA-N 437.276 4.431 5 20 IIBD CCN(CC1CCN(c2ccccn2)CC1)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 493279531 IRBBWEOYSYFTGS-GOSISDBHSA-N 425.533 4.307 5 20 IIBD O=C(c1cc(N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)ccc1[N+](=O)[O-])N1CCCC1 497558836 ZGGWJZTUZRVIME-HXUWFJFHSA-N 447.438 4.010 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1cccc(COc2ccc(F)cc2)c1)c1cccc([N+](=O)[O-])c1 498111448 IOVPQZZBSXKQCW-OAHLLOKOSA-N 437.427 4.129 5 20 IIBD O=C(Cc1cc(Br)ccc1F)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 498139738 CGEXJGHWHNWNKA-QGZVFWFLSA-N 425.279 4.313 5 20 IIBD Cc1ccc(-c2ccc(CN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C(C)C)s2)cc1 499459973 VDZQNFUITJUAMH-UHFFFAOYSA-N 425.510 4.231 5 20 IIBD COc1cccc(OC)c1OC1CCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 501959744 XJHIAGWNYGRGME-OAHLLOKOSA-N 446.525 4.163 5 20 IIBD COCCC[C@@H](CNC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc(Cl)cc1 503536668 IPWFLGRMQQOGHJ-HNNXBMFYSA-N 445.907 4.134 5 20 IIBD COc1cc(C(=O)N2CCO[C@H](c3ccccc3Cl)C2)c([N+](=O)[O-])cc1OC(F)F 505140890 FOSCOZACUGKCRP-KRWDZBQOSA-N 442.802 4.072 5 20 IIBD O=C(CC[S@](=O)Cc1coc(-c2ccc(Cl)cc2)n1)Nc1ccccc1[N+](=O)[O-] 507702906 ASNYCOPHIJWBGB-LJAQVGFWSA-N 433.873 4.181 5 20 IIBD O=C(c1ccc(Br)c(OC(F)(F)F)c1)N1CCc2c1cccc2[N+](=O)[O-] 509405920 VMXXRXZEMRPDFD-UHFFFAOYSA-N 431.164 4.459 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(NC(=O)c2cccnc2)cc1 509704695 QFVPABPTFOYQEJ-UHFFFAOYSA-N 447.495 4.362 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C(=O)N2CCSCC2)c1 509944293 OQONHICGFOILTA-UHFFFAOYSA-N 442.541 4.226 5 20 IIBD COc1ccc(NC(=O)CN[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)c([N+](=O)[O-])c1 511553447 JTBIQOIGFWSZJG-IBGZPJMESA-N 439.390 4.181 5 20 IIBD CCOc1cc(-c2nnc(Sc3c([N+](=O)[O-])c(C)nn3C)o2)cc(OCC)c1OCC 513621721 YJQDFGJSYCULFI-UHFFFAOYSA-N 449.489 4.034 5 20 IIBD CCOC(=O)CN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@H](C)c1ccccc1 513906298 WFQUOLTUELIZCI-LJQANCHMSA-N 442.515 4.308 5 20 IIBD Cn1ccnc1[C@H](NCc1ccc(COCC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 514089405 PRDCXXLUOBLHPP-LJQANCHMSA-N 434.418 4.286 5 20 IIBD Cn1ccnc1[C@@H](NCc1ccnc(OCc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 514090907 XBHDQCPHVMOKBO-QHCPKHFHSA-N 429.480 4.182 5 20 IIBD C[C@@H]1CCCN(Cc2ccccc2CN[C@H](c2ccc([N+](=O)[O-])cc2)c2nccn2C)C1 514095913 TWIAARIILHNJLO-NTKDMRAZSA-N 433.556 4.439 5 20 IIBD Cc1ccc(-n2nc(C(=O)Nc3cc(C)nn3-c3ccc([N+](=O)[O-])cc3)c3c2CCC3)cc1 514538537 MLLPXJDGIXUSKI-UHFFFAOYSA-N 442.479 4.324 5 20 IIBD Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)c12 520255866 KELRLGXAXHDPIG-UHFFFAOYSA-N 439.516 4.335 5 20 IIBD Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 522244435 ZOUAWZRZTBXLIY-KRWDZBQOSA-N 433.464 4.298 5 20 IIBD Cc1csc(Sc2ccc(NC(=O)C(=O)N(C)Cc3ccccc3[N+](=O)[O-])cc2)n1 522450929 SQKAAMBDWOEGET-UHFFFAOYSA-N 442.522 4.108 5 20 IIBD CCN(CC)[C@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1ccsc1 523296788 KCFNLFVUAUSLDX-GOSISDBHSA-N 447.948 4.351 5 20 IIBD Cc1ccc(NC(=O)c2ccccc2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 523730381 QNAJAOGSRVDLJC-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CCNC(=O)Nc1cccc([N+](=O)[O-])c1C 523895712 ZBCBYGMBKDNFKV-UHFFFAOYSA-N 435.278 4.124 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCc2cc(Br)cc(F)c2C1 527028678 GKBPRGAZXSHLPQ-UHFFFAOYSA-N 436.281 4.273 5 20 IIBD O=c1ccn(-c2ncnc3scc(-c4ccc(Br)cc4)c23)cc1[N+](=O)[O-] 531581908 MESFXQIHMFRLEH-UHFFFAOYSA-N 429.255 4.180 5 20 IIBD O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H](O)COc2ccccc2Br)o1 531702289 KUTXHKDRTUQCPH-CQSZACIVSA-N 447.285 4.147 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC=C(c2c[nH]c3ncccc23)CC1 533343990 PSXKCFKLZHCMAL-ZDUSSCGKSA-N 425.876 4.241 5 20 IIBD COc1ccc(NC(=O)CCSc2nnc(C)n2[C@@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 534607554 IIOCMZONWCIFJD-UKRRQHHQSA-N 433.534 4.375 5 20 IIBD COc1cc(CNc2cccc(-c3n[nH]c(C)n3)c2)c([N+](=O)[O-])cc1OCC(F)(F)F 535184355 CZCWWYMGTJPPGO-UHFFFAOYSA-N 437.378 4.250 5 20 IIBD CC(C)[C@@H](NC(=O)C[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 536305532 UGRFAJMPUYHZHL-ROTAYESASA-N 441.509 4.012 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC2(c3ccccc3Cl)CCOCC2)c1 537311049 ITYDDVYDSYDPFC-UHFFFAOYSA-N 432.904 4.190 5 20 IIBD CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 538336146 SZZKCNJQQLXVSA-QRQCRPRQSA-N 440.475 4.102 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)c1 538429288 YBNGHQZPWSHHMZ-AWEZNQCLSA-N 428.420 4.047 5 20 IIBD CCOc1ccc(NC(=O)CN[C@@H](CC(F)(F)F)c2ccc(F)cc2)c([N+](=O)[O-])c1 539274953 BQYMQQRZNNYEFV-INIZCTEOSA-N 429.370 4.354 5 20 IIBD O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CCCc2ccc(F)c(F)c21 539894251 GGQUKEVYSGFQAV-UHFFFAOYSA-N 444.175 4.071 5 20 IIBD CCSCc1ccc(C(=O)NCCCNc2ncnc3ccc([N+](=O)[O-])cc23)cc1 539923369 JENFQHPZGFRPAQ-UHFFFAOYSA-N 425.514 4.023 5 20 IIBD CC(=O)c1cc(Br)cc(F)c1OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 541301900 KVFDGCXAYCLHJC-UHFFFAOYSA-N 445.628 4.370 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC(c3cc(C)[nH]n3)CC2)c([N+](=O)[O-])c1 542047717 QGUAFJDNZOYWBL-QHCPKHFHSA-N 433.512 4.494 5 20 IIBD CC(C)N1CCc2nc(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)sc2C1 542209533 HIZJVABYKFZYHN-UHFFFAOYSA-N 429.527 4.194 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)c1C 542839027 ONKUKOOQPMGTTN-UHFFFAOYSA-N 440.403 4.217 5 20 IIBD Cc1cc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)c2c(C)noc2n1 545009272 WTENWHRLRZOFPD-UHFFFAOYSA-N 430.218 4.151 5 20 IIBD COc1ccccc1-c1nc(CSc2nc3cc([N+](=O)[O-])ccc3c(=O)n2C)cs1 546547149 CSANKBMWMGOYBQ-UHFFFAOYSA-N 440.506 4.266 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(-c3cc(OC)ccc3OC)cs2)c1 549211271 VSNYWSWVJAFKBP-UHFFFAOYSA-N 429.454 4.387 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CC[C@@H](c4ccccc4)C3)n2C[C@@H]2CCCCO2)c1 549651726 SPWBHZPSSDWSDZ-IRLDBZIGSA-N 433.512 4.416 5 20 IIBD CC[C@@H]1CCCC[C@@H]1c1noc([C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)n1 551532010 JPSINQKTPODUHE-GJYPPUQNSA-N 448.545 4.230 5 20 IIBD Cn1ccnc1[C@H](NCc1cccc(NC(=O)C2CCCC2)c1)c1cccc([N+](=O)[O-])c1 552037840 SCFIVLHVOPOCEZ-JOCHJYFZSA-N 433.512 4.336 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[C@@]12CCc1cc(Br)ccc12 552272018 BSIVEHZTFQFWMH-GHTZIAJQSA-N 429.314 4.262 5 20 IIBD O=C(Nc1cc(C2CC2)ccn1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 555009930 BQYZEYCYIIDYNB-UHFFFAOYSA-N 435.406 4.240 5 20 IIBD C[C@H](CN[C@H](c1ccc([N+](=O)[O-])cc1)c1nccn1C)Oc1ccc(Br)cc1 556873643 ZSTBVHRNEZSNHS-AUUYWEPGSA-N 445.317 4.237 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccncc1OCc1ccccc1 557070089 GEIRCCMZAYZXMA-OAHLLOKOSA-N 441.871 4.306 5 20 IIBD Cn1c([C@H]2CCCCN2CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)nc2ccccc21 558168737 SJBJBPLRGIHTPV-LJQANCHMSA-N 435.484 4.007 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N3CCC[C@H]3[C@H]3CCCO3)c([N+](=O)[O-])c2)c(C)c1 561320016 MGNIFOUUWXCPSJ-RBBKRZOGSA-N 445.541 4.160 5 20 IIBD COc1ccc(CC(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)O[C@H](C)C2)cc1[N+](=O)[O-] 561446399 VBOPDCYDEAJWAY-BFUOFWGJSA-N 438.402 4.153 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2nccs2)cc1[N+](=O)[O-] 573151976 CHQKRBCASAQJSE-GOSISDBHSA-N 438.509 4.193 5 20 IIBD O=[N+]([O-])c1ccn(C2CCN(c3nnc(CC4CCCCC4)n3Cc3ccccc3)CC2)n1 574620878 QKHXKDYUWIWDRE-UHFFFAOYSA-N 449.559 4.395 5 20 IIBD CC1(C)CN(CC2CN(C(=O)CCOc3ccccc3[N+](=O)[O-])C2)c2cc(C3CC3)ccc21 577006615 AXZOMCPMIVUVIW-UHFFFAOYSA-N 449.551 4.497 5 20 IIBD CN(c1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)[C@H]1CC[C@@H](C(F)(F)F)CC1 578465113 XIIXKVCYUZZZJQ-TXEJJXNPSA-N 430.814 4.351 5 20 IIBD O=[N+]([O-])c1cc(I)cc(-c2nc(-c3cccc4ncccc34)no2)c1 585731481 KESCQXJMGGNLOK-UHFFFAOYSA-N 444.188 4.465 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 603500742 VQAFGOYRDRHEQS-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 603758351 UYANOLCIVLJUDC-UHFFFAOYSA-N 429.404 4.234 5 20 IIBD C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 603961278 VOCZMCKRMPYEEB-CYBMUJFWSA-N 448.882 4.453 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1ccn(-c2cccc(F)c2)n1 604430489 ZQCYRERCLWXNKU-UHFFFAOYSA-N 430.395 4.403 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(CNCc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)C[C@H](C)O1 608836522 OLILBPIUDAGILA-ROUUACIJSA-N 449.507 4.394 5 20 IIBD Cc1nc(C(C)(C)NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)sc1C 609909014 UBEAOTJRRRUJMY-UHFFFAOYSA-N 427.530 4.195 5 20 IIBD CCc1nc([C@@H]2CCCCN2C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)no1 609975197 KJPZADABLABWIU-BXWFABGCSA-N 441.532 4.390 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1 611199934 IOXLEUWCQULESC-UHFFFAOYSA-N 449.532 4.458 5 20 IIBD CC[C@@H](CC(F)(F)F)NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 612815115 LPOFOGQTNHMRPF-LBPRGKRZSA-N 442.360 4.176 5 20 IIBD CCOc1ccc2c(c1)[C@H](NC(=O)N1CCC(Oc3ccc([N+](=O)[O-])cc3)CC1)CCO2 614013751 LKEFKHOUSRZEBH-OAQYLSRUSA-N 441.484 4.070 5 20 IIBD CC(C)(C)OC(=O)c1ccccc1C1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 615295833 IFKZTOSSBLKVRR-UHFFFAOYSA-N 425.485 4.152 5 20 IIBD O=[N+]([O-])c1ccc(NCC2(c3ccc(Br)cc3)CCOCC2)c([N+](=O)[O-])c1 725791516 OQUXSZGVRCFDLC-UHFFFAOYSA-N 436.262 4.426 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCO[C@@H](c2ccccc2Br)C1 725808522 KEQQWZZQBBKWCF-LJQANCHMSA-N 448.317 4.068 5 20 IIBD CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccc(OCC(C)C)cc2)NC(=S)N1 730203839 XZQNFKDBUAUELM-FQEVSTJZSA-N 440.525 4.061 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 731832681 MWHAIFDRVQLWPD-QFIPXVFZSA-N 427.888 4.175 5 20 IIBD O=C(OCCCOc1ccccc1Br)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 734288120 NJOLASKFXBOTOH-UHFFFAOYSA-N 446.257 4.169 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)O[C@@H](c1ccc(Br)cc1)C1CC1 734727927 QKHSCSTYINXPAY-LJQANCHMSA-N 447.285 4.172 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cc1)c1ccsc1 735272090 QSIRMNFLLRRLLX-UHFFFAOYSA-N 435.417 4.382 5 20 IIBD Cc1ccc(C(=O)COC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)s1 736863877 ODAPUTYHNAMMFQ-UHFFFAOYSA-N 440.264 4.497 5 20 IIBD CS[C@H]1CC[C@@H](NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 742742593 RQOWTDNRWLSIJF-CABCVRRESA-N 431.480 4.230 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(=O)NCc1ccccc1Cl 744554911 YBOWXHWHBRJYHP-OAHLLOKOSA-N 445.903 4.100 5 20 IIBD O=C(CCn1cc([N+](=O)[O-])cn1)OCc1csc(-c2ccc(C(F)(F)F)cc2)n1 746595157 SHUKJMMFAIVCNG-UHFFFAOYSA-N 426.376 4.067 5 20 IIBD COc1ccc(CN(Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)[C@H](C)C2CC2)cc1 747073411 BEULKXQEIRIUPI-QGZVFWFLSA-N 434.496 4.085 5 20 IIBD O=C(OCC[C@@H]1CCCC1=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 748168722 KVPQFXYOXBIRJQ-ZDUSSCGKSA-N 428.407 4.133 5 20 IIBD C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H](O)c1c(F)cccc1Cl 748402745 YGEKYOUIIYAQLO-BMLIUANNSA-N 435.864 4.363 5 20 IIBD COc1ccc(-c2cc(COC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)on2)cc1 748951362 PSJXMUMYSJPZEF-UHFFFAOYSA-N 427.369 4.140 5 20 IIBD COC(=O)N(C)c1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cc1 749422389 SRHFUOKUKNXPCA-UHFFFAOYSA-N 442.653 4.466 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cccc(Cl)n3)cc2)cc1[N+](=O)[O-] 749561445 QNPPNLZSTXTWQR-UHFFFAOYSA-N 446.872 4.005 5 20 IIBD COc1c([N+](=O)[O-])cc(N[C@H](C)C[C@H](O)c2cccs2)c([N+](=O)[O-])c1Br 751943848 YXGGRQCRJDDFFM-KCJUWKMLSA-N 446.279 4.260 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)cc1[N+](=O)[O-] 752948984 CLIUCQAMXZDXQB-CVEARBPZSA-N 444.507 4.125 5 20 IIBD Cn1ccnc1[C@@H](NCC1(C)CCN(C(=O)OC(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1 753587759 VHLSEIODJSPTFR-IBGZPJMESA-N 443.548 4.045 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccnc2-c2ccccc2)ccc1Br 754764542 KWNUVJRQVISQNO-UHFFFAOYSA-N 434.271 4.220 5 20 IIBD C[C@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1cccc(-n2cccn2)c1 755029941 KIWXCTSTKUYIRA-LBPRGKRZSA-N 430.262 4.426 5 20 IIBD Cc1c(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c(=O)oc2ccc(Br)cc12 755155282 UCEPJTQXJYWOID-UHFFFAOYSA-N 431.242 4.044 5 20 IIBD CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 755750475 LLDZOAVBJIRSEB-CQSZACIVSA-N 448.907 4.426 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@H](O)c1cc2ccccc2s1 757567278 YANUMVLHYFQKRE-NRFANRHFSA-N 428.513 4.219 5 20 IIBD Cc1cc(F)cc(C(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)c1[N+](=O)[O-] 758387628 AADRRNJDBCTKJY-UHFFFAOYSA-N 440.500 4.124 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 758802028 ZWBUYCUFJIGHAM-YQQAZPJKSA-N 445.520 4.331 5 20 IIBD COc1cc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2C(F)(F)F)ccc1[N+](=O)[O-] 759257827 DFGGFUZXBXBGNI-OAHLLOKOSA-N 430.404 4.148 5 20 IIBD CCCc1c(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cnn1-c1ccc(F)cc1 759452910 RXXLDWJLRUCVKE-UHFFFAOYSA-N 427.392 4.341 5 20 IIBD Cc1cc(C(=O)COC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c(Cl)cc1F 761014215 KOTHLCLWIUQPEL-UHFFFAOYSA-N 434.851 4.338 5 20 IIBD C[C@H](C(=O)O[C@H](C)C(=O)N(c1nccs1)C1CCCCC1)c1cccc([N+](=O)[O-])c1 763397191 DMNUWFANOMLZLZ-LSDHHAIUSA-N 431.514 4.452 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 765056098 IQVREPLGFRLETR-AEFFLSMTSA-N 442.516 4.451 5 20 IIBD CCn1c(COc2ccc(Cl)cc2)nnc1Sc1nc2ccccn2c1[N+](=O)[O-] 765565468 IUMVIKIPONUJEL-UHFFFAOYSA-N 430.877 4.238 5 20 IIBD O=C1Nc2cc(Cl)ccc2C1=C1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 766153305 YLVQQGAXUHHROY-UHFFFAOYSA-N 448.866 4.438 5 20 IIBD COc1cc(COC(=O)CCOc2ccccc2Br)c([N+](=O)[O-])cc1F 766189304 XVOILLDYSOECIN-UHFFFAOYSA-N 428.210 4.017 5 20 IIBD COc1cc(COC(=O)c2nc(C)n(-c3ccccc3C(C)C)n2)c([N+](=O)[O-])cc1F 766200204 JOJBQXSHBUAFLI-UHFFFAOYSA-N 428.420 4.112 5 20 IIBD Cc1cc(F)cc(C(=O)Nc2cc(C)n(CCCOc3ccc(F)cc3)n2)c1[N+](=O)[O-] 768033909 HDSPCXPCMREMSK-UHFFFAOYSA-N 430.411 4.408 5 20 IIBD CC(C)Cc1ccc(C(=O)C2CCN(S(=O)(=O)c3csc([N+](=O)[O-])c3)CC2)cc1 768806366 ZPQKOUMNFLSQOV-UHFFFAOYSA-N 436.555 4.138 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCC(=Cc2ccc(F)c(F)c2)CC1 769638742 DERLKZLIGTVTNF-UHFFFAOYSA-N 443.450 4.029 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc([C@H](C)[C@H](NC(=O)OC(C)(C)C)c3ccccc3)n2)n1C 771463570 MOFSHXGWZFOYQY-DOMZBBRYSA-N 442.476 4.056 5 20 IIBD Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 771468396 KARYFIKILGEZDG-RUCTVCJSSA-N 431.496 4.199 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@](O)(c1ccccc1)C(F)(F)F 775538691 NOWVMNYEYYXHLK-GOSISDBHSA-N 428.432 4.275 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 777321438 NDOQOGVLUJHERQ-QFIPXVFZSA-N 445.472 4.330 5 20 IIBD Cc1ccc(C(=O)N2CCSCC2)cc1NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 777662111 BCXBRHREEDDKPO-UHFFFAOYSA-N 440.569 4.173 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)C1(c2cccc(Cl)c2)CCOCC1 778804267 VQJOWLPIWSSCCD-GOSISDBHSA-N 448.878 4.258 5 20 IIBD Cc1nc(-c2ccc(NC(=O)c3ccc(Br)c([N+](=O)[O-])c3)cc2Cl)n[nH]1 779464695 PZBPIAKPIXKUSO-UHFFFAOYSA-N 436.653 4.357 5 20 IIBD COc1ccc(CN(C)[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1F 779480139 SRKUMGABOPHWBL-ZDUSSCGKSA-N 444.488 4.325 5 20 IIBD COc1cc(COC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c([N+](=O)[O-])cc1OCC(F)F 780058495 FDIBDOCRWAJJRY-UHFFFAOYSA-N 446.746 4.166 5 20 IIBD CCO[C@@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)OCc2cccc([N+](=O)[O-])c2C)C1(C)C 781429490 REXLGQDXOJZAKV-VGOFRKELSA-N 436.505 4.045 5 20 IIBD CC(C)(C)OC(=O)NCCOc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 784129204 MNDHPYSOMHNYHU-UHFFFAOYSA-N 449.891 4.333 5 20 IIBD C[C@@H](C(=O)OCc1nnc(-c2ccccc2Br)o1)c1cccc([N+](=O)[O-])c1 784994722 XKQXXOFRWUAGDO-LLVKDONJSA-N 432.230 4.254 5 20 IIBD COC(=O)Nc1cc(C(=O)OCc2ncc(C)c([N+](=O)[O-])c2C)cc(C(F)(F)F)c1 789443587 FOHHSSRMTWSETI-UHFFFAOYSA-N 427.335 4.161 5 20 IIBD CCOc1ccc(CCC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cc1 791172870 RAMNSTLWAZMJDR-UHFFFAOYSA-N 433.302 4.274 5 20 IIBD Cc1cc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c(C(=O)NCC(F)(F)F)cc1F 793990395 YBRHPJVGCNXWKI-UHFFFAOYSA-N 438.337 4.068 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1N1CCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 794767705 PJIRLGJZGOJOHL-UHFFFAOYSA-N 448.445 4.176 5 20 IIBD CN(C[C@H]1CCCO[C@H]1c1ccccc1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F 795811202 IPIUWMZNEUTCRX-KUHUBIRLSA-N 442.896 4.176 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCCC[C@@H]1c1ncc(-c2ccccc2)[nH]1 798222404 MLIWSFPXXFGLDJ-QGZVFWFLSA-N 430.461 4.040 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 799235054 SQQZCSRZDVBQJU-CABCVRRESA-N 436.509 4.151 5 20 IIBD CCC[C@@H](C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccccn1 799535737 GIVAWPNTRDCRDD-GXTWGEPZSA-N 439.390 4.463 5 20 IIBD Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C(F)(F)F)C1(C)C 799818058 RFIWDRPASDHWSA-LBPRGKRZSA-N 445.257 4.017 5 20 IIBD CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 803405721 GORQOHKLRPLGTA-UHFFFAOYSA-N 441.362 4.035 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1nc2c(Br)cccc2s1 804870871 KUJDYSNIZMDKPL-UHFFFAOYSA-N 426.223 4.124 5 20 IIBD C[C@H](OC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(S[C@H]2CCCCNC2=O)cc1 809049470 WYEZLXUIUDZPDR-DJJJIMSYSA-N 432.473 4.413 5 20 IIBD CC(C)(C)OC(=O)Nc1ccccc1CCc1nc(Cc2ccc([N+](=O)[O-])cn2)no1 809436655 IYGPTXGIDNQZPK-UHFFFAOYSA-N 425.445 4.096 5 20 IIBD O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@H](c1cccc(F)c1)N1CCOCC1 811475912 CWOYEIIKCFFHNV-GOSISDBHSA-N 428.291 4.204 5 20 IIBD Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1C 812837642 GUKGMSGKFFZSCN-UHFFFAOYSA-N 446.312 4.021 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC[C@](CO)(Cc2ccccc2)C1 812957334 QYRYZRZZQVQUMO-FQEVSTJZSA-N 448.317 4.206 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1cc(S(=O)(=O)C2CCCC2)ccc1F 813245273 NYDYJWMZEIBZPQ-UHFFFAOYSA-N 426.853 4.356 5 20 IIBD CC(C)n1c(S)nnc1[C@@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 813449571 UFFZVNQMLTUSRQ-SNVBAGLBSA-N 444.344 4.383 5 20 IIBD C[C@H](N[C@@H](C)c1ccc(N2CCCOC2=O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 814249626 LYYCNRVIJVNSSX-KBPBESRZSA-N 446.891 4.273 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)C1 814646325 YMQYXARWWDGUKN-UHFFFAOYSA-N 442.516 4.473 5 20 IIBD CN(C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)[C@@H]1CC(C)(C)OC1=O 816728089 BGFUYPPRWORJEB-GOSISDBHSA-N 431.876 4.026 5 20 IIBD C[C@@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)c1cccc([N+](=O)[O-])c1 915037792 IPUAHMYUUFRGNH-GDBMZVCRSA-N 448.422 4.353 5 20 IIBD Cc1c(C(=O)NCc2cccc(COCc3ccccc3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 915298985 HIOXLDJYSWXZKG-UHFFFAOYSA-N 435.436 4.458 5 20 IIBD O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)Nc1cc(Cl)ccc1OCC(F)(F)F 917735846 FUVIVVLZUCSUQS-UHFFFAOYSA-N 428.747 4.129 5 20 IIBD Cc1ccc(-c2noc(CCC(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)n2)cc1F 918227988 JXEJLZXWGDZVSG-UHFFFAOYSA-N 432.839 4.337 5 20 IIBD COC(=O)N1CCC(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 920039193 CMMVMNVRYWEIOY-UHFFFAOYSA-N 433.848 4.001 5 20 IIBD O=C(Nc1ccc2nc(CN3CCCCC3)[nH]c2c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 1116495393 VFPFWWSCAKXVAU-UHFFFAOYSA-N 429.427 4.188 5 20 IIBD O=C(NCCc1nc(-c2ccccc2COc2ccccc2)no1)c1ccc([N+](=O)[O-])cc1 1116583192 PJTOXFQXNWQTTH-UHFFFAOYSA-N 444.447 4.196 5 20 IIBD CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] 1117869609 ASBIJOMVRCNGOS-UHFFFAOYSA-N 427.501 4.214 5 20 IIBD O=C(CCc1nc(-c2ccccc2)no1)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 1320649683 RMPBNUDRCOYVSX-QFIPXVFZSA-N 430.420 4.305 5 20 IIBD O=C(Nc1ccc(Cl)cc1)N1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 1320897837 PXKZRIRMXUZUKA-UHFFFAOYSA-N 441.875 4.253 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1ccc(-n2cccn2)c(F)c1 1321565770 HINRFUUNCBIGCE-UHFFFAOYSA-N 430.395 4.403 5 20 IIBD CCc1cc(OCC(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1Cl 1323974883 UTFLCGSLDNPGMJ-UHFFFAOYSA-N 427.240 4.025 5 20 IIBD O=C(OCc1cccc([N+](=O)[O-])c1)c1sccc1S(=O)(=O)NC1CCCCCC1 1523824877 VFSZIVSYFCMBNZ-UHFFFAOYSA-N 438.527 4.014 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)C(Cl)(Cl)Cl)CCC2)cc1)c1ccc([N+](=O)[O-])o1 1785751840 LMCUYZYEVVNZOU-UHFFFAOYSA-N 446.674 4.306 5 20 IIBD Cc1nc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])o4)CCC3)cc2)cs1 1787525736 PLOVCBDXVATMAI-UHFFFAOYSA-N 426.454 4.014 5 20 IIBD CCc1cnc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])[nH]4)CCC3)cc2)s1 1789654442 WXRRKDSNACVFBS-UHFFFAOYSA-N 439.497 4.003 5 20 IIBD C[C@@H]1C[C@@]1(C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc([N+](=O)[O-])cc3F)CCC2)cc1 1790424446 HZNCEEWZQKOTRZ-IQMFZBJNSA-N 439.487 4.457 5 20 IIBD CCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C3)cc1 1799729734 DNMDKLJMQNEFDB-CHPVGTHUSA-N 433.508 4.122 5 20 IIBD C/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)CC1 1830734363 DYFXCNGDFZKSAB-NAASZUNDSA-N 433.936 4.366 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC2CCC2)CC1 1830792371 PCJZBJFSZIVTEA-FQEVSTJZSA-N 443.544 4.032 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1F)N1CC2(CCCN2C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)C1 1843939206 PXRDZDKBHYEMTQ-YTQUADARSA-N 443.519 4.157 5 20 IIBD CC[C@H]1CC[C@H](C(=O)N2CCCC23CN(C(=O)CSc2ccccc2[N+](=O)[O-])C3)CC1 1846216207 QOIVTVMNZUDYMI-IYARVYRRSA-N 445.585 4.107 5 20 IIBD CC(C)CCn1c(SCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O 9655441 KHECXRHMZBFSIK-UHFFFAOYSA-N 440.525 4.106 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1I 9768145 FSIKKVWYIRIGIA-UHFFFAOYSA-N 437.237 4.334 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CN(C)Cc1cc([N+](=O)[O-])ccc1Cl 11012296 NZLRJKLCUULYLS-UHFFFAOYSA-N 426.698 4.390 5 20 IIBD O=C(COC(=O)c1cc(Br)ccc1Cl)Nc1ccc(Cl)cc1[N+](=O)[O-] 11481665 SXRSUZZAILUAOJ-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD CCc1ccccc1NC(=O)[C@@H](C)OC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 21753005 LPIQSVHSLSMPGE-GFCCVEGCSA-N 439.390 4.158 5 20 IIBD Cc1cccc(-c2nc(CC(=O)O[C@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cs2)c1 26212403 ZWAFSSFQCPHECG-CYBMUJFWSA-N 443.456 4.279 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)c1 29253414 HTHNQQOELKWNKD-UHFFFAOYSA-N 435.505 4.068 5 20 IIBD COc1cc(CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)ccc1OC(F)F 61058892 CLTLTHRIXIUKSB-UHFFFAOYSA-N 449.454 4.371 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCN(Cc2ccc(F)cc2)CC1 65095498 OBNQPKFFEPWBNY-UHFFFAOYSA-N 440.500 4.206 5 20 IIBD Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1Br 110315668 ZQKXNCGTUKYKCS-SFHVURJKSA-N 446.301 4.217 5 20 IIBD CNS(=O)(=O)c1ccc(N[C@H](c2ccc(Cl)cc2)c2ccsc2)c([N+](=O)[O-])c1 301305170 ZOVYMMJOUHQMMZ-GOSISDBHSA-N 437.930 4.419 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn23)C1 302899027 OMEPKDOTDIHGHW-LBPRGKRZSA-N 434.378 4.068 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NC[C@@H]3CCCO[C@H]3c3ccccc3)cc2)c(C)c1[N+](=O)[O-] 409557941 NPQJYJPTUHDTAP-UPVQGACJSA-N 448.523 4.354 5 20 IIBD COCc1ccc([C@@H]2CCCN2C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)o1 426281794 DVLYCFNEQCLMEE-INIZCTEOSA-N 427.379 4.400 5 20 IIBD C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1CCC(=O)Nc1ccccc1[N+](=O)[O-] 428796006 ZQSFLANSMGQSHA-LIRRHRJNSA-N 437.418 4.404 5 20 IIBD CC(C)(C(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1)c1ccccc1[N+](=O)[O-] 429863500 GDYJCWHCIBGZSI-UHFFFAOYSA-N 425.872 4.375 5 20 IIBD O=C(NCC(=O)N1Cc2ccccc2C1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 432164571 RABPIUXYQHOVIG-UHFFFAOYSA-N 432.436 4.051 5 20 IIBD CCN1CCN(Cc2ccc(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)cc2)CC1 436110841 NTXYDWAPZIYWJY-UHFFFAOYSA-N 440.547 4.071 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 436977646 GCNPPRBGSJCFCR-ZDUSSCGKSA-N 428.832 4.024 5 20 IIBD Cc1ccc(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c(OC[C@H]2CCCO2)c1 437980284 QTIYOCWFGGHPFN-OAQYLSRUSA-N 439.512 4.335 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N(Cc2ccccc2)C2CC2)cc1[N+](=O)[O-] 439231558 ITSBLSLILWBKHS-UHFFFAOYSA-N 425.304 4.019 5 20 IIBD COC(=O)C[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccc(Cl)cc1 444107011 IBNRJPAGUSCYCH-NRFANRHFSA-N 434.879 4.369 5 20 IIBD CCc1n[nH]c(C(=O)Nc2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2)c1[N+](=O)[O-] 444267077 TWQMNJBXCGMNMP-IBGZPJMESA-N 433.468 4.110 5 20 IIBD Cc1nc(-c2ccc(CNC(=O)c3sc(Br)cc3[N+](=O)[O-])o2)cs1 444826583 GPJURGQHFQBEBD-UHFFFAOYSA-N 428.289 4.374 5 20 IIBD Cc1cccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1NC(=O)c1ccccc1F 446881426 QQJARVHHAPBWCX-UHFFFAOYSA-N 433.439 4.493 5 20 IIBD CC[C@H](NC(=O)c1cc(C(=O)N[C@@H](CC)c2ccncc2)cc([N+](=O)[O-])c1)c1ccncc1 461025076 VDYPPEJNUYIXIE-VXKWHMMOSA-N 447.495 4.147 5 20 IIBD Cc1c(CN[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] 462188990 JLZMBUGTYBNZRW-JOCHJYFZSA-N 446.475 4.464 5 20 IIBD CCc1cc(N(C)Cc2nccn2Cc2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 463088170 XDOXEFGATOXMLG-UHFFFAOYSA-N 428.496 4.495 5 20 IIBD COc1ccc(CSCC(=O)NC[C@H]2CCCO[C@H]2c2ccc(C)cc2)cc1[N+](=O)[O-] 464716820 ZHTUVCMZYJICMV-XXBNENTESA-N 444.553 4.429 5 20 IIBD CC(C)(CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1c(Cl)cccc1Cl 465131291 DQTNBGBFDDTVED-UHFFFAOYSA-N 439.295 4.309 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)cc([N+](=O)[O-])c1 466905223 DQVBPPWOZFXOTD-UHFFFAOYSA-N 431.404 4.366 5 20 IIBD COC[C@@H]1CCCCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)C1 467955036 UYBJKOCIVNCPSY-CQSZACIVSA-N 449.554 4.021 5 20 IIBD O=C(NCC(F)(F)CO)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 468715633 MQKHRALJDKZVSG-UHFFFAOYSA-N 436.358 4.122 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(NCc3ccc(C(=O)Nc4ccc(F)cc4)cc3)cc2N1 471734286 GEQSTMZYCZBWIK-UHFFFAOYSA-N 434.427 4.483 5 20 IIBD Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O 475771809 JLGIOOAULUXWOO-CYBMUJFWSA-N 442.686 4.399 5 20 IIBD CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 477060418 OKXNONLLHMRXDN-OAQYLSRUSA-N 440.477 4.147 5 20 IIBD O=C(N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1)c1ccc([N+](=O)[O-])c2cccnc12 477233026 STPNKMFPSPUVCL-CYBMUJFWSA-N 430.386 4.171 5 20 IIBD Cc1nncn1-c1cccc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 478375324 VNRJUNPPDLVWAB-OAHLLOKOSA-N 443.467 4.304 5 20 IIBD O=C1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 478482557 HPYFZYBWATUIMC-MLGOLLRUSA-N 437.283 4.061 5 20 IIBD C[C@H]1CCCCN1Cc1ccc(CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1 479162281 COJVWRJVTJAWAW-SFHVURJKSA-N 433.512 4.085 5 20 IIBD CCOc1cc(O)ccc1NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 481517475 JVSJIKNRJKNGQV-UHFFFAOYSA-N 437.239 4.444 5 20 IIBD C[C@@H]1CN(C(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1CO 481929074 BMTMSDARIMRZKH-OLZOCXBDSA-N 440.443 4.465 5 20 IIBD CCOc1cc(NC(=O)C(=O)N[C@H](c2ccccc2C)C(C)C)c([N+](=O)[O-])cc1OCC 483222444 JFRZUIQKRJGAIS-NRFANRHFSA-N 443.500 4.153 5 20 IIBD COc1ccc([C@@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)c2cccc(S(C)(=O)=O)c2)cc1 483811537 XKNAGUPTBXWGNL-WAIKUNEKSA-N 440.521 4.447 5 20 IIBD O=C(NCC[C@@H]1C(=O)Nc2ccccc21)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 485744056 DUKUUMWNFWCDSG-IBGZPJMESA-N 431.448 4.030 5 20 IIBD C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1sc(Br)cc1[N+](=O)[O-] 486186383 BBIQNYZSPGJHTG-JSGCOSHPSA-N 438.347 4.059 5 20 IIBD C[C@H](NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1cccc([N+](=O)[O-])c1 486212822 FLRGBYUZKVQUNF-APPDUMDISA-N 437.283 4.067 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)cc1[N+](=O)[O-] 488071677 SLVCPXBCBRNREG-LLVKDONJSA-N 437.353 4.133 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 488388790 QXDQRYSDBQVHNV-LLVKDONJSA-N 447.296 4.118 5 20 IIBD COc1cc(CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1OCC(F)(F)F 489906427 CCGZRFABZUTICE-CYBMUJFWSA-N 441.406 4.413 5 20 IIBD CCOc1ccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1Br 493976058 HMWZEGFTSWDEBA-UHFFFAOYSA-N 431.246 4.194 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 501045262 QCEUQVOMHCHZJL-UHFFFAOYSA-N 440.974 4.377 5 20 IIBD COc1cc(C(=O)N2CCN(C(=O)c3cc4ccccc4c4cccnc34)CC2)ccc1C 502563844 RZAZZVFQDXGYBU-UHFFFAOYSA-N 439.515 4.303 5 20 IIBD Cn1cnc(-c2ccc(Br)cc2)c1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 508405946 OAYLPHJNEHTLLA-UHFFFAOYSA-N 440.257 4.491 5 20 IIBD NC(=O)c1ccc(SCC(=O)N(Cc2ccc3ccccc3c2)C2CC2)c([N+](=O)[O-])c1 509021587 HYFFTYPLRJFGAA-UHFFFAOYSA-N 435.505 4.130 5 20 IIBD CCCN(C(=O)c1cc(OC)c(OCCOC)cc1[N+](=O)[O-])[C@H]1CCc2ccccc2C1 511384266 OPOTUUOPYKTTDN-IBGZPJMESA-N 442.512 4.038 5 20 IIBD CC(C)n1c([C@H]2CCCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)nc2ccccc21 512267526 XLUZLVJLWLHYNE-ICSRJNTNSA-N 438.528 4.145 5 20 IIBD CC(C)[C@H]1C[C@@H](CC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCO1 513710311 RCQRGPPNMZBIRI-HNAYVOBHSA-N 443.466 4.104 5 20 IIBD O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 518288841 RPRNWVWYIQMZPD-GOSISDBHSA-N 432.267 4.460 5 20 IIBD C[C@H](c1cccc(O)c1)N(C)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 518813362 NSGKFWVPTIFVQW-GFCCVEGCSA-N 426.395 4.134 5 20 IIBD Cc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1NC(=O)CN1CCCCC1 520062498 BYDYZKDEKUTDSA-UHFFFAOYSA-N 430.892 4.233 5 20 IIBD CC(C)CNC(=O)c1ccc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1Cl 521551972 NKVQYCWNENHBTQ-UHFFFAOYSA-N 428.876 4.227 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1CC[C@@H](N2CCCCC2)C1 521695638 AWKPCURDEMVACT-KNQAVFIVSA-N 442.947 4.488 5 20 IIBD Cc1c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)nnn1-c1cccc2cnccc12 521753301 MLRHDOVBIIYSQL-UHFFFAOYSA-N 430.468 4.083 5 20 IIBD COc1ccc([C@H](CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)N2CCOCC2)cc1 521823287 SPAQRIDASFYOEB-QHCPKHFHSA-N 437.496 4.027 5 20 IIBD COc1ccc([C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c2ccc(F)cc2)cc1 523757704 WDLYFKHEXBQGFW-OAQYLSRUSA-N 430.457 4.119 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 523956866 GVUIJPMMMPHSRM-GOSISDBHSA-N 430.848 4.384 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 525583626 JQWISCJGAGCWLA-UHFFFAOYSA-N 443.506 4.126 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(c2ncc(Cl)cc2Cl)CC1 532473418 RNRTZDWHCDJKKC-GFCCVEGCSA-N 449.298 4.230 5 20 IIBD COc1cc(CNc2cccc(CS(=O)(=O)C3CCCCC3)c2)c([N+](=O)[O-])cc1O 533220141 SCXUSYNPYKVRRU-UHFFFAOYSA-N 434.514 4.169 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC1CCN(Cc2ccc(Cl)cc2)CC1 533923209 DVLHMYVHQSQOGS-UHFFFAOYSA-N 426.904 4.053 5 20 IIBD COc1ccc([C@H](C)N(C)C(=O)c2cc(I)cc([N+](=O)[O-])c2)cc1 535023474 CKFVDGHARVCOPX-NSHDSACASA-N 440.237 4.041 5 20 IIBD CC[C@@H](CCO)NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 535911402 UTAZTOHINSPKAE-NOCRFKNCSA-N 425.510 4.412 5 20 IIBD CS[C@H](CO)[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 536411588 AAIPHHCCRQRFRU-APPDUMDISA-N 426.947 4.242 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N[C@H](CO)C1CCCCC1 536474283 PQTUSWHCYJNQOQ-HSZRJFAPSA-N 448.523 4.047 5 20 IIBD Cc1ccc2nc([C@@H]3CCCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4Cl)C3)[nH]c2c1 537163033 UHEHUQCGDSBMHL-CYBMUJFWSA-N 434.905 4.001 5 20 IIBD NS(=O)(=O)c1ccc(N[C@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)c([N+](=O)[O-])c1 538006289 RCWBZKFCDBATHW-INIZCTEOSA-N 449.838 4.478 5 20 IIBD O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 538870952 GXSGKMWFRHSNEH-IBGZPJMESA-N 444.491 4.022 5 20 IIBD O=C(NCc1ccnc(N2CCCCCC2)c1)c1ccc([N+](=O)[O-])cc1Br 539016157 JLEXAKSQSJXPAS-UHFFFAOYSA-N 433.306 4.063 5 20 IIBD COc1c(C)cnc(CN2CCC(N(C)Cc3ccc([N+](=O)[O-])cc3Cl)CC2)c1C 541120199 MHRQENCOSDFADM-UHFFFAOYSA-N 432.952 4.365 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@@H](c1ccccc1Cl)C(C)C 542256639 VQMXEHLLICMDJJ-GOSISDBHSA-N 440.905 4.053 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCn2ccc(-c3cc(Cl)ccc3Cl)n2)cc1 543119278 FHSVMICUZXRHEH-UHFFFAOYSA-N 426.281 4.239 5 20 IIBD COc1ccc([C@@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2OC)c2ccc(F)cc2)cc1 544106864 FVMPMCJLFTWXLL-QFIPXVFZSA-N 439.443 4.340 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC(Oc2cccc(Br)c2)CC1 544705183 ZVSGLMMIITWIEW-UHFFFAOYSA-N 448.317 4.153 5 20 IIBD C[C@@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1OCc1ccccc1 544725330 GZEUYQOGPAKIDB-QGZVFWFLSA-N 426.494 4.354 5 20 IIBD Cc1c(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cccc1C(=O)N1CCSCC1 547242349 JYMGGDBMVOHESJ-UHFFFAOYSA-N 445.516 4.148 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N1CCn2nccc21 552782292 DQZDJEJASKXOLY-SSZFMOIBSA-N 431.477 4.379 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(F)c(N2CCOCC2)cc1F 553409743 ILGMGTHMYCIQAT-UHFFFAOYSA-N 437.468 4.464 5 20 IIBD C[C@H](C(=O)N(C)CC(=O)NC(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1F 553917630 VWWACWQBYGHHAU-KRWDZBQOSA-N 449.482 4.202 5 20 IIBD C[C@H](NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)c1nc2ccccc2n1C 554808232 GPWKWQFWAPISCT-ZACQAIPSSA-N 435.528 4.455 5 20 IIBD O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCC[C@@H]1[C@H]1CCCO1 557167801 DIBPTABSRMHTQX-IEBWSBKVSA-N 441.450 4.000 5 20 IIBD CCC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 559875874 DIBPNMDFXNZLTQ-HOTGVXAUSA-N 448.545 4.086 5 20 IIBD O=C1CSc2ccc(N[C@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)cc2N1CC(F)F 560267844 VJCDABLXVRDOGT-UONOGXRCSA-N 437.472 4.091 5 20 IIBD COc1ccc([C@H](Nc2nc(O)c3cc([N+](=O)[O-])ccc3n2)c2ccccc2OC)cc1 561276192 RPGVPUVUYBOULP-NRFANRHFSA-N 432.436 4.462 5 20 IIBD CC(C)(C)c1ccc(C(=O)Nc2cccc(S(=O)(=O)C3CCOCC3)c2)cc1[N+](=O)[O-] 564018788 CNJOTBLUXIUCME-UHFFFAOYSA-N 446.525 4.097 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)c1 565432676 ONTFBDCMBKTFDU-UHFFFAOYSA-N 431.920 4.289 5 20 IIBD C[C@@H](NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(-c2ccncc2)cc1 571594203 NNGBKLJORFBUMG-QGZVFWFLSA-N 444.491 4.025 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H]2CCO[C@@H]2c2ccnn2Cc2ccccc2)n1 571921662 CSIDZDQJKISVGN-FPOVZHCZSA-N 431.452 4.443 5 20 IIBD O=C(N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F)N1CCOc2ccc([N+](=O)[O-])cc2C1 573610381 KVFIAKZYTDWZOA-SFHVURJKSA-N 434.374 4.284 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(-c2nc(CC(=O)Nc3ccccc3C(F)(F)F)no2)c1 573842463 GXENVZLAEXNBHV-UHFFFAOYSA-N 436.346 4.244 5 20 IIBD COc1ccc(-c2nc(C)c(C(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)s2)cc1 579783452 UAYZIBKNBWGDDH-UHFFFAOYSA-N 425.466 4.070 5 20 IIBD COc1cc(CN2CCOc3cc(O)ccc3C2)ccc1OCc1ccc([N+](=O)[O-])cc1 580128429 GSNFNJXWISPRNA-UHFFFAOYSA-N 436.464 4.283 5 20 IIBD Cc1c(C(=O)NC(C)(C)c2cccc(C(F)(F)F)c2)nnn1-c1cccc([N+](=O)[O-])c1 580457408 RGJICXFULRLQRX-UHFFFAOYSA-N 433.390 4.168 5 20 IIBD COc1cc([C@H](NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C(F)(F)F)cc(OC)c1OC 581585261 UOLYPNQAQAVPHV-ZMZPIMSZSA-N 442.390 4.144 5 20 IIBD C[C@H](Oc1ccccc1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C(F)(F)F 589008620 RMSBOFZFXTXFJL-AWEZNQCLSA-N 438.406 4.279 5 20 IIBD CC(C)CN(Cc1ccccc1)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 603531123 XRTLLTOISJRSHI-UHFFFAOYSA-N 425.514 4.173 5 20 IIBD COc1ccc(CNC(=O)NCc2ccc(COCc3ccccc3)cc2)cc1[N+](=O)[O-] 604105042 LHZAFBXLFACGJQ-UHFFFAOYSA-N 435.480 4.320 5 20 IIBD CN(Cc1ccc(Cl)cc1Cl)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 604155764 HZXJBTCZPYMMHT-UHFFFAOYSA-N 448.209 4.100 5 20 IIBD CCN(CCNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1cccc(C)c1 608830334 ASZQEOULXWPOMF-UHFFFAOYSA-N 427.892 4.041 5 20 IIBD CC(C)N[C@@H]1CCCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 609135881 YOBZOGFXQTUQEJ-GOSISDBHSA-N 430.936 4.463 5 20 IIBD CN(Cc1cccc(Br)c1)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 609722828 AERIUWJYUTXTRW-UHFFFAOYSA-N 427.682 4.438 5 20 IIBD O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1ccc([N+](=O)[O-])cc1Br 610041601 VHGVRHAEKIWICZ-UHFFFAOYSA-N 432.274 4.236 5 20 IIBD COc1ccc(Oc2ccc(S(=O)(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)cc2)cc1 610161625 BOQZQCWJXSGIAA-HNNXBMFYSA-N 428.466 4.435 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCC(F)(F)C1 610785930 GBNGGPZUKYRUGB-GFCCVEGCSA-N 427.429 4.004 5 20 IIBD O=C1CCCN1C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)c1cccc(C(F)(F)F)c1 611379226 HGYPVIVQOLUWEI-QGZVFWFLSA-N 448.401 4.208 5 20 IIBD Cc1nc([C@@H]2COCCN2Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)no1 611532739 LDOJXHOKELGOER-KRWDZBQOSA-N 430.848 4.305 5 20 IIBD O=[N+]([O-])c1ccc2ncnc(N3CCC(Oc4cccc(Br)c4)CC3)c2c1 612665057 SWPIRFUYHZCJAJ-UHFFFAOYSA-N 429.274 4.348 5 20 IIBD COC(=O)C[C@](C)(NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)c1ccccn1 614428171 UTABRYMBUFVFBN-QFIPXVFZSA-N 443.525 4.233 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc1OC 619564823 RMURGAFUJFDUDI-ZDUSSCGKSA-N 445.497 4.072 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccccc3N3CCOC3=O)cc2[N+](=O)[O-])C1 726506398 AZGIKTHTDRUHRG-HOTGVXAUSA-N 438.484 4.286 5 20 IIBD O=C(COC(=O)[C@@H](OC1CCCC1)c1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] 727017479 MUTCJNRZKJWLHH-FQEVSTJZSA-N 432.860 4.430 5 20 IIBD O=C(/C=C\c1cccc(OC2CCCC2)c1)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 727887744 SOQGKWGCAFUJLG-FLIBITNWSA-N 436.464 4.062 5 20 IIBD O=C(COC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)Nc1cc([N+](=O)[O-])ccc1F 730614073 RQHZPLBCOUUVMJ-STQMWFEESA-N 427.215 4.326 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1CS(=O)(=O)c1ccccc1 731162528 DHXMGDMVISAQFG-UHFFFAOYSA-N 430.869 4.474 5 20 IIBD Cc1nc(-c2ccc([C@@H](C)NC(=O)COc3ccc(C=O)cc3[N+](=O)[O-])cc2)cs1 731602143 ACCFWSOYYSJSDX-CYBMUJFWSA-N 425.466 4.095 5 20 IIBD COc1cc(N2CCC(OC(=O)C3(c4cccc(F)c4)CCC3)CC2)ccc1[N+](=O)[O-] 739382511 YOOUDZDZVLAJPO-UHFFFAOYSA-N 428.460 4.376 5 20 IIBD Cc1c(F)cccc1S(=O)(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 742272431 BKCFPZPNQYZQMW-UHFFFAOYSA-N 430.413 4.062 5 20 IIBD Cc1cc(S(=O)(=O)N2c3ccccc3N(C(=O)OC(C)(C)C)C[C@H]2C)ccc1[N+](=O)[O-] 743345827 MEJCAWRJOXWXCZ-OAHLLOKOSA-N 447.513 4.242 5 20 IIBD Cc1nc(-c2cccc(C(=O)OCC3CCN(c4ncccc4[N+](=O)[O-])CC3)c2)cs1 744086421 DVKRCIFTUYSUNC-UHFFFAOYSA-N 438.509 4.495 5 20 IIBD C[C@@H](OC(=O)c1c(N)cccc1Cl)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 745007635 SYOCOUQXZYFEMP-SNVBAGLBSA-N 446.872 4.138 5 20 IIBD Cc1cccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)c1C(=O)NCCc1ccccc1 745116819 CWEBOKCREGWIJE-UHFFFAOYSA-N 443.463 4.004 5 20 IIBD C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccc(-c2ccncc2)cc1 746408370 FCFKMSONGBNKQI-DNVCBOLYSA-N 448.454 4.026 5 20 IIBD Cc1c(CC(=O)O[C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)cccc1[N+](=O)[O-] 748476656 MCTROSWTDSWBQE-HNNXBMFYSA-N 431.514 4.200 5 20 IIBD CC[C@H](Oc1ccccc1F)C(=O)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C 748665013 VMAJSVPUFWUQIG-SFHVURJKSA-N 442.447 4.379 5 20 IIBD Cn1c(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])ccc1-c1ccc(F)cc1 749330513 BVMREEXESGOXCS-UHFFFAOYSA-N 431.807 4.188 5 20 IIBD Cc1nc(CCCC(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cs1 749912307 XYMRNNXYNCNZOY-IBGZPJMESA-N 445.541 4.311 5 20 IIBD C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 750682264 AJICMOHQYXMLRH-CHWSQXEVSA-N 426.901 4.405 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(CCNC(=O)OC(C)(C)C)cc2)c1 751228132 BGGRIVSIGRQLHG-UHFFFAOYSA-N 445.541 4.314 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N(C)Cc2cc(Br)cs2)cc1[N+](=O)[O-] 752235007 POZIKDVABFTHLA-UHFFFAOYSA-N 439.740 4.201 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1CCN(CC(C)(C)O)C2 753123222 YNMMRCLSNXXRKM-UHFFFAOYSA-N 443.569 4.477 5 20 IIBD O=C(NCc1ccccc1Br)c1cc(F)cc([N+](=O)[O-])c1Br 754977722 QDNILYKVJDJJDQ-UHFFFAOYSA-N 432.043 4.189 5 20 IIBD O=C(OCC(=O)N1CCC(Cc2ccccc2)CC1)c1cc([N+](=O)[O-])cc(Cl)c1F 754989268 OWQBBJQUIWCISR-UHFFFAOYSA-N 434.851 4.025 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 755386080 VXYOWJIXHZBYNM-OAHLLOKOSA-N 448.100 4.056 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@H]2Cn2c(C)nc3ccccc32)cc1[N+](=O)[O-] 755967786 RIFHZDQCNAWTHP-HNNXBMFYSA-N 448.932 4.068 5 20 IIBD COc1cccc(NC(=O)[C@H](OC(=O)CCc2cccc([N+](=O)[O-])c2)c2ccccc2)c1 756529201 SNIVQLZKZBQMAF-HSZRJFAPSA-N 434.448 4.459 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 758845440 ISRODEUCWZRANK-KBPBESRZSA-N 440.928 4.083 5 20 IIBD CCOC(=O)c1ccnc(N2CCC[C@H]2c2c(C)nn(CC(C)C)c2Cl)c1[N+](=O)[O-] 759714946 RPYFWKWMCSCVLC-HNNXBMFYSA-N 435.912 4.322 5 20 IIBD O=c1c2ccccc2nc(SCc2ccc(Cl)c([N+](=O)[O-])c2)n1C[C@H]1CCCO1 760150864 RNEIUVDKLXFTJR-CQSZACIVSA-N 431.901 4.429 5 20 IIBD O=C(COC(=O)c1ccc(Cl)cc1Br)Nc1ccc([N+](=O)[O-])cc1Cl 761280416 CLWWIZOCBVVKHM-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD Cc1nn(CN2CCO[C@@H](c3ccc(Br)cc3)C2)c2cc([N+](=O)[O-])ccc12 761288541 QMNSZYHPZPETJH-LJQANCHMSA-N 431.290 4.046 5 20 IIBD COCCCOc1cc(C)ccc1-c1noc([C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 762264909 KWTMTMBQEOZGLP-HXUWFJFHSA-N 438.440 4.234 5 20 IIBD C[C@H](OC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N(C)Cc1ccc(Br)cc1 763401405 GHLYZWPWEBOFKD-KGLIPLIRSA-N 449.301 4.051 5 20 IIBD CC(C)(C)OC(=O)N1CCc2cc(NC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)ccc21 763572156 QXZCJPGNJLJJSC-UHFFFAOYSA-N 449.467 4.330 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)cc([N+](=O)[O-])c1 764391922 LXUUNPYLBIPWBH-IFMALSPDSA-N 440.496 4.280 5 20 IIBD O=C(NC[C@H](O)c1c(F)cccc1F)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 768156686 JMORWEHZMTVQEH-IBGZPJMESA-N 430.432 4.488 5 20 IIBD COc1cccc(C(=O)OCC(=O)N2c3ccccc3CCc3ccccc32)c1[N+](=O)[O-] 769573669 CMKIXDALICIJTK-UHFFFAOYSA-N 432.432 4.224 5 20 IIBD O=C(Cc1noc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1)Nc1ccc(Cl)cc1Cl 771031611 QWQDXNVSWCPENG-UHFFFAOYSA-N 438.183 4.041 5 20 IIBD O=C(OCc1ccc(OCC(F)(F)F)nc1)c1ccc(Br)cc1[N+](=O)[O-] 775021713 GXHOQTBOKYVFPG-UHFFFAOYSA-N 435.152 4.050 5 20 IIBD CCN(CC)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C 775471969 AMKYAVQQWRZTGY-HXUWFJFHSA-N 443.569 4.305 5 20 IIBD CN(C)c1ccc(C2CCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])CC2)cc1 775977401 CGOKBBIVIREQQH-UHFFFAOYSA-N 432.318 4.443 5 20 IIBD O=C(Nc1ccccc1)Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)c1 778256058 ROQFVIVRHHYMAH-UHFFFAOYSA-N 448.464 4.174 5 20 IIBD C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)OCc1ccc([N+](=O)[O-])cc1Cl 778335145 UEPLTKFYCMQRRG-SECBINFHSA-N 431.659 4.417 5 20 IIBD CN(C[C@@H]1CCCC[C@@H]1O)C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 778501383 MFGRZYVLWNHBOP-XOBRGWDASA-N 445.903 4.124 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1csc(N(C(C)=O)C2CC2)n1 780282663 JJNPLWOJWUFFMD-UHFFFAOYSA-N 435.527 4.426 5 20 IIBD CCO[C@H](C)c1nc(COc2cc([N+](=O)[O-])ccc2I)cs1 780353164 FCKRKXNMWKQIGC-SECBINFHSA-N 434.255 4.332 5 20 IIBD CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 781811334 ZDNLYQYXWQEJKX-UHFFFAOYSA-N 449.454 4.339 5 20 IIBD COC(=O)c1scc(C)c1S(=O)(=O)Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-] 785489931 WBSVEPJVUKKZGK-UHFFFAOYSA-N 433.463 4.186 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)OCC(=O)N(Cc1ccco1)c1ccccc1 785950420 YKOJITPMGVKEHV-UHFFFAOYSA-N 428.828 4.160 5 20 IIBD Cc1nc(Cl)ccc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 788806549 FKUGKJLDVOHING-UHFFFAOYSA-N 443.813 4.325 5 20 IIBD C[C@H]1C[C@@H](CCNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CN1Cc1ccccc1 790556203 CMDWYPYNZRWUTH-DOTOQJQBSA-N 433.911 4.347 5 20 IIBD COc1cc(C(=O)OC[C@H]2CCC(=O)N(C)[C@H]2c2cccc(Cl)c2)cc([N+](=O)[O-])c1C 791810868 IWPGXOQOFYSGGX-VFNWGFHPSA-N 446.887 4.332 5 20 IIBD COc1cc(CN2CC[C@]3(C)[C@@H](C2)C3(Cl)Cl)c([N+](=O)[O-])cc1OCC(F)F 792908280 LZHFZSFCGVTULE-GDBMZVCRSA-N 425.259 4.263 5 20 IIBD NC(=O)c1cccnc1COC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 793274618 ZJJJTCJBPYCWCG-UHFFFAOYSA-N 443.868 4.250 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3ccnc(SC(C)(C)C)c3)CC2)ccc1[N+](=O)[O-] 794050116 XKSCNLJYCGHNLL-UHFFFAOYSA-N 444.557 4.242 5 20 IIBD Cc1cc(OCC(=O)OCC(=O)Nc2ccccc2Cc2ccccc2)ccc1[N+](=O)[O-] 797492644 GUCOGWHTUJTGLE-UHFFFAOYSA-N 434.448 4.055 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C(C)(C)C1 801052827 FXZGWIOHIOOWSM-MRXNPFEDSA-N 443.903 4.082 5 20 IIBD O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)[C@H](F)c1ccc(C(F)(F)F)cc1 802064783 AMDVZRVWGDXAOV-QGZVFWFLSA-N 441.381 4.479 5 20 IIBD C[C@@H](NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)c1nc2ccccc2[nH]1 806324280 LQKRAMWRFAHONJ-LLVKDONJSA-N 444.289 4.063 5 20 IIBD CC(C)CN(CCc1ccccc1)C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810357829 HJRPMNLBXVQDRT-UHFFFAOYSA-N 448.317 4.023 5 20 IIBD C[C@H]1CCCN(c2cc(C(=O)O[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)ccn2)C1 812653793 QQDQXICDQBDPAN-KBPBESRZSA-N 446.891 4.064 5 20 IIBD COC(=O)CCCOc1ccc(CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 812997361 RZPDAICWNXYGLI-UHFFFAOYSA-N 441.267 4.164 5 20 IIBD CNc1c(C(=O)N2CCC[C@@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cccc1[N+](=O)[O-] 817653568 YWFKTOZDVXPGHO-IAGOWNOFSA-N 446.548 4.136 5 20 IIBD COc1cc(N2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)c([N+](=O)[O-])cc1C 820686949 NQPCBAJUAIQMGX-UHFFFAOYSA-N 426.391 4.298 5 20 IIBD CC(=O)c1cccc(NC(=O)[C@H](OC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C(C)C)c1 877872483 GEDQSYSPPXLJSE-MGPUTAFESA-N 444.509 4.485 5 20 IIBD COc1ccc(C2=NN(C(=O)CNc3ccc(F)c([N+](=O)[O-])c3)[C@H](c3ccco3)C2)cc1 912724089 NBLLWTPGCOKEMX-FQEVSTJZSA-N 438.415 4.125 5 20 IIBD COc1ccc(/C=C/C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cc1 918637450 LCMSIMPXPFNCPE-YPNIWSFNSA-N 438.480 4.245 5 20 IIBD CC(C)(C)[C@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1cccs1 918975341 FVXMWUUUSZTGQP-HXUWFJFHSA-N 445.541 4.317 5 20 IIBD COc1cccc(Cc2cnc(NC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)s2)c1 919744265 WKMYGMAZSFEZFI-UHFFFAOYSA-N 449.492 4.304 5 20 IIBD CCN(CC)C(=O)c1ccccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 919874048 CBTMRPPGZUOZRX-UHFFFAOYSA-N 427.504 4.275 5 20 IIBD CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)OCc1ccc(Cl)c(Cl)c1 920116658 OPYOXYLKOIWRNQ-CYBMUJFWSA-N 447.296 4.090 5 20 IIBD Cc1c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cnn1C1CCCC1 1319601079 ZMJLFIRIAMNPBX-UHFFFAOYSA-N 440.378 4.029 5 20 IIBD COc1cc([C@@H](C)NCc2ccc([N+](=O)[O-])cc2Br)cc(OC)c1OC 1320407824 GJABRFPACPXEIO-LLVKDONJSA-N 425.279 4.234 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)NC1(c2ccc(NC(=O)c3ccc[nH]3)cc2)CCC1 1789684947 FBWOYUISMDJRSM-UHFFFAOYSA-N 436.443 4.432 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]3F)CCC2)cc1 1790772421 ONQPRJDPWUHPNY-RDJZCZTQSA-N 429.423 4.148 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(F)c1[N+](=O)[O-])c1c(F)cccc1Cl 1800532072 JNHGEQSZYUUHSI-CLLJXQQHSA-N 449.841 4.092 5 20 IIBD C[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C3)CC1 1803223459 SAIRXMQPDOENQQ-IDDJUORISA-N 425.529 4.073 5 20 IIBD Cc1ccc(-c2ccccc2C(=O)N2CC3(CCCN3C(=O)c3ccc([N+](=O)[O-])o3)C2)cc1 1840966722 IKAVWWLRUJPZDO-UHFFFAOYSA-N 445.475 4.294 5 20 IIBD Cc1ccc(Cl)cc1N1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 15949961 DTUFVMMBAFPFQI-UHFFFAOYSA-N 442.947 4.122 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)/C=C/c1ccc2ccccc2n1)c1ccccc1[N+](=O)[O-] 16144745 LURIJCZLCJTSKF-QZMUEMGWSA-N 433.464 4.355 5 20 IIBD Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 24813801 VHXWLFCNWFFRAF-HOTGVXAUSA-N 438.528 4.062 5 20 IIBD COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1OCc1cn2ccccc2n1 59362313 BTYLDMTXVILLSN-UHFFFAOYSA-N 432.436 4.391 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(OCc2csc(C3CCCC3)n2)c([N+](=O)[O-])c1 60211062 GOQZAQQBRYCHTA-UHFFFAOYSA-N 439.559 4.318 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCN(c2ccccc2Cl)CC1 61468381 YKCKVLSVBVJNSA-UHFFFAOYSA-N 443.809 4.152 5 20 IIBD CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] 63765255 OEWPGBOAWYTFFT-UHFFFAOYSA-N 431.283 4.016 5 20 IIBD CN(C)CCN(C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 63829512 RFWYLGRVMXYFSG-UHFFFAOYSA-N 427.448 4.301 5 20 IIBD O=C(Nc1ccc(NC(=O)c2cccs2)cc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 109911483 WBYZDWLEKKKDPR-UHFFFAOYSA-N 433.449 4.347 5 20 IIBD COc1ccc([C@H]2CCN(C(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)C2)cc1 109928324 MGTWPRJRIPGISN-NRFANRHFSA-N 434.496 4.095 5 20 IIBD CCN1CCN([C@@H](C)CNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 236973602 RIJTUGGOXCPEFZ-KRWDZBQOSA-N 432.952 4.156 5 20 IIBD COc1ccc(CN(C)C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c(OC)c1 255939788 BUBMLSLPQRRCRM-IAGOWNOFSA-N 441.528 4.367 5 20 IIBD O=C(c1cc(NCc2cc(Cl)c3c(c2)OCCCO3)ccc1[N+](=O)[O-])N1CCCC1 301129060 YTDIMJQEKSEVCS-UHFFFAOYSA-N 431.876 4.258 5 20 IIBD Cn1c(Sc2ncc(Br)cc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 301694124 OWVPKHIODYCQRR-UHFFFAOYSA-N 426.683 4.352 5 20 IIBD O=[N+]([O-])c1cc(Cl)cnc1Sc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 301727857 BOCCJXDLBHPGDL-AWEZNQCLSA-N 435.868 4.371 5 20 IIBD O=C(c1cc(N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)ccc1[N+](=O)[O-])N1CCCC1 301904883 PUHGSDPBKFAXBD-HNNXBMFYSA-N 432.883 4.314 5 20 IIBD CCCN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@@H]1C[C@@H](OCC)C12CCCC2 303892946 SBWSQKHVIXGIDQ-NHCUHLMSSA-N 426.517 4.371 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)c1C 409868543 WNMNVNMXMQGGLZ-UHFFFAOYSA-N 431.514 4.075 5 20 IIBD Cc1cnc(OCC(=O)N(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)c([N+](=O)[O-])c1 426590363 DKQGUGRPJVVFGY-KRWDZBQOSA-N 448.479 4.149 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3ccnn3[C@H](C)CC(C)C)CC2)ccc1[N+](=O)[O-] 432409438 YWBPPDAKRQRQHS-QGZVFWFLSA-N 444.536 4.151 5 20 IIBD O=[N+]([O-])c1ccc([C@H]2SCCN2S(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc1 435437288 JZZJPCHJOFTAEO-OAHLLOKOSA-N 437.301 4.477 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](CC)[C@@H](c1ccc(C)cc1)n1cncn1 439924524 FIQFVIWJHNLMDN-GHTZIAJQSA-N 438.488 4.083 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1ccccc1)[C@H]1CCCC1(C)C 441995440 YGTZENJMFQDTGQ-FQEVSTJZSA-N 425.485 4.149 5 20 IIBD O=C(Nc1cccc(-c2cnn[nH]2)c1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 443678235 WHRJRNXWUBUCGS-UHFFFAOYSA-N 444.238 4.125 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCC[C@@H]2c2ccc(C)cc2)cc1OC 443898567 RETONMSLNLQGDL-QUCCMNQESA-N 442.512 4.345 5 20 IIBD O=C(NCC1(c2ccc(C(F)(F)F)cc2)CC1)c1cc([N+](=O)[O-])ccc1SCCO 444531084 IOUYFAWIJAQPNH-UHFFFAOYSA-N 440.443 4.160 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@H](CCO)c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 444571067 BVNMBBOSNZDAKU-PXNSSMCTSA-N 434.496 4.059 5 20 IIBD CCc1ccc(-c2nc(CC(=O)Nc3cc(C)nn3-c3ccc(C)cc3)no2)cc1[N+](=O)[O-] 445499227 AUGJTQWLVGMUKL-UHFFFAOYSA-N 446.467 4.191 5 20 IIBD CSc1nnc(-c2noc(-c3ccc(N4C[C@@H](C)C[C@@H](C)C4)c([N+](=O)[O-])c3)n2)s1 445609253 RVQYQTMBGUSOLJ-PHIMTYICSA-N 432.531 4.368 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)c2nc[nH]n2)cc1[N+](=O)[O-] 446681403 JRNAFMUQXZYKCU-PXAZEXFGSA-N 448.405 4.190 5 20 IIBD C[C@H]1CCO[C@H]1c1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1C[C@@H]1CCCCO1 461655417 NNGGFHIVOIXPAT-ORYQWCPZSA-N 441.532 4.022 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCCc1c[nH]c2cccc(Br)c12 462123753 YJAQDYZFZPDDDG-UHFFFAOYSA-N 431.290 4.223 5 20 IIBD COc1cc(CNc2ccccc2CS(=O)(=O)c2ccccc2)c([N+](=O)[O-])cc1F 464092380 KTPQRJOGMVGWJE-UHFFFAOYSA-N 430.457 4.329 5 20 IIBD O=C(N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1(c2cccc(Cl)c2)CCOCC1 464625535 CBOPZTOKNRDELW-UHFFFAOYSA-N 444.915 4.366 5 20 IIBD CCN(CC)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)C1 464652378 VYULEJHVOXAPAG-QGZVFWFLSA-N 427.501 4.200 5 20 IIBD COc1cc(F)c([C@@H](C)NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1OC 465931112 PSWXDBCXNTXEIT-CQSZACIVSA-N 447.463 4.065 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Cc1ncc(Cl)cc1Cl 467004599 DLJKVBHYRINLAU-UHFFFAOYSA-N 426.075 4.033 5 20 IIBD Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)c12 470703018 JDHWAIXOUWUXEH-UHFFFAOYSA-N 432.415 4.301 5 20 IIBD NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 471408997 JFFOXSUFRYVXSF-ODYMNIRHSA-N 445.928 4.125 5 20 IIBD C[C@@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1noc(-c2ccccc2)n1 472673984 ZMRXHXKQYNTVCL-GFCCVEGCSA-N 449.389 4.343 5 20 IIBD CN(C)c1noc(CNCc2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)n1 475103304 XNJPYLZHMWFODG-UHFFFAOYSA-N 425.489 4.423 5 20 IIBD COc1c(C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)cccc1[N+](=O)[O-] 476417425 JGAXUOHKHUUEKX-UHFFFAOYSA-N 429.476 4.131 5 20 IIBD O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 478791541 ZFXNRHMVFZLSKO-UHFFFAOYSA-N 444.835 4.344 5 20 IIBD CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cc2ccccc2c2cccnc12 478805059 SLRNHULWYNKMFR-UHFFFAOYSA-N 441.487 4.260 5 20 IIBD CCOc1cc(Br)ccc1NC(=O)c1cc(OC)c(OCC)cc1[N+](=O)[O-] 479204880 KDMWESFIVTZZBY-UHFFFAOYSA-N 439.262 4.416 5 20 IIBD CC[C@H](Cc1ccccc1Br)N(C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 479787149 WMHNVKBSIFBILA-CQSZACIVSA-N 435.274 4.179 5 20 IIBD COc1ccc(CNC(=O)[C@H](C)Cc2ccc(F)c(Br)c2)cc1[N+](=O)[O-] 480563324 LCMYDKUROGITLX-LLVKDONJSA-N 425.254 4.000 5 20 IIBD O=[N+]([O-])c1ccc2nc(N3CCCN(Cc4csc(-c5ccsc5)n4)CC3)[nH]c2c1 481182434 PRUATWYUPWLSHK-UHFFFAOYSA-N 440.554 4.368 5 20 IIBD COCCN(C(=O)c1cc(F)c(F)c(F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 482297848 VQLWLOADAOGLTP-UHFFFAOYSA-N 437.399 4.429 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)Cc1ccc(Br)cc1Cl 484648643 LCCNDJVBLLXHAO-UHFFFAOYSA-N 426.698 4.390 5 20 IIBD O=C(c1ccc(Cl)s1)N1CCC(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 486046739 SOTXWXOLAVJALT-UHFFFAOYSA-N 447.944 4.353 5 20 IIBD COC(=O)c1cc(NC(=O)NCc2cc(Cl)ccc2OC(F)F)c(C)c([N+](=O)[O-])c1 486879699 KARSCDHRHCPXMX-UHFFFAOYSA-N 443.790 4.266 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 488376330 MIQSJGBASXVSJM-OAHLLOKOSA-N 442.859 4.244 5 20 IIBD CC(C)NC(=O)c1ccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 489385163 GJVALZRVAKGRLK-UHFFFAOYSA-N 441.431 4.483 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1coc(-c2ccc(C)cc2)n1 489984815 XOMCZRZOXXYNJP-UHFFFAOYSA-N 427.482 4.227 5 20 IIBD COc1cc([C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2C)C(F)(F)F)cc(OC)c1OC 491328120 DTGGPICLCKGTJU-QGZVFWFLSA-N 443.378 4.354 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)cc1[N+](=O)[O-] 492957770 GXSBGCLLKGLUMO-DNVCBOLYSA-N 441.488 4.086 5 20 IIBD CO[C@H]1CCN([C@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c2ccccc2)C1 494894804 QOMNPLQEKKCCFH-ICSRJNTNSA-N 438.509 4.119 5 20 IIBD COc1cc(F)c([C@H](C)NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1OC 495182015 FPFINUWMZBENJV-JTQLQIEISA-N 445.369 4.330 5 20 IIBD Cc1ccnc([C@@H](NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C2CC2)n1 497496917 ZXNNQBQHBZKNIW-INIZCTEOSA-N 447.282 4.067 5 20 IIBD O=c1c2cc([N+](=O)[O-])ccc2ncn1Cc1nc2cc(Cl)ccc2n1Cc1ccccc1 498022291 AFNMZNOLMYQIIJ-UHFFFAOYSA-N 445.866 4.404 5 20 IIBD C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 500190264 OKRZLULSLSCZOE-AWEZNQCLSA-N 435.933 4.018 5 20 IIBD CCc1ccc([C@H](NCc2cc(S(C)(=O)=O)ccc2F)c2ccc([N+](=O)[O-])cc2)o1 502594930 LMCBWZZDVQQHDK-OAQYLSRUSA-N 432.473 4.172 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CCC[C@@H](Oc2ccccc2Cl)C1 504662138 JJNBELVSUVCYEV-CQSZACIVSA-N 427.844 4.186 5 20 IIBD Cc1cc(C(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)cc([N+](=O)[O-])c1 504975049 NDWCASHVGRUPIT-UHFFFAOYSA-N 446.301 4.157 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2cccc(-c3nnco3)c2)cc1[N+](=O)[O-])c1ccccn1 506186994 COTFPDKYFIXDLC-CQSZACIVSA-N 430.424 4.465 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc2c(c1)NC(=O)CS2 507120954 MBNRGYVMIPECTF-UHFFFAOYSA-N 440.403 4.099 5 20 IIBD O=C(O)CCNC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 509202452 JPEZGMYLXKOMIJ-DTQAZKPQSA-N 431.448 4.224 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@](F)(c3cccc(Cl)c3)C2)c2ncccc12 510585968 ZIYUJVAFWHRZRM-LJQANCHMSA-N 435.864 4.056 5 20 IIBD COc1ccc(C2(CNC(=O)COc3ccccc3[N+](=O)[O-])CCCCC2)cc1OC 510614204 UAHGCKPZHSDJBW-UHFFFAOYSA-N 428.485 4.009 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)cc1O 513622257 PBHMXARVOPTDLP-UHFFFAOYSA-N 432.601 4.119 5 20 IIBD CC(=O)Nc1cccc2c1CCCN2C(=O)Cn1c2ccccc2c(=O)c2ccccc21 515591614 JNYHGTORCLFLIK-UHFFFAOYSA-N 425.488 4.093 5 20 IIBD Cc1c(NC(=O)[C@H](C)NCc2ccccc2CN2C[C@@H](C)C[C@@H](C)C2)cccc1[N+](=O)[O-] 515758039 WDXYZHZFSMPBRZ-NSHGMRRFSA-N 438.572 4.498 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc2ccccc12 515917215 WBHSLVQLLCJCFV-GFCCVEGCSA-N 429.379 4.165 5 20 IIBD Cc1nc(-c2ccc([C@H](C)NC(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)cc2)cs1 518285042 CRDHYGGDFFGESJ-ZDUSSCGKSA-N 434.481 4.098 5 20 IIBD C[S@@](=O)CCCNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 518422201 NXTCNZKTPUSMOC-NQTOLJISSA-N 443.550 4.020 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N3C[C@H](C)OC(C)(C)C3)c([N+](=O)[O-])c2)c(C)c1 521328929 XHBZMRPIJYKEJV-INIZCTEOSA-N 433.530 4.016 5 20 IIBD O=C(NC1(c2noc(-c3cc(Br)cc([N+](=O)[O-])c3)n2)CCC1)c1ccccc1 521685555 GNJVOJIRPZPODN-UHFFFAOYSA-N 443.257 4.217 5 20 IIBD O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 522051339 QDCYYZPWNXJZFB-UHFFFAOYSA-N 431.433 4.477 5 20 IIBD CCc1nc(CCNc2ccc(C(=O)c3ccccc3C(=O)OC)cc2[N+](=O)[O-])cs1 523297060 XLWYDABBZXFKMJ-UHFFFAOYSA-N 439.493 4.286 5 20 IIBD COc1cc(C(=O)NCC(C)(C)c2ccc(OCC(C)C)cc2)cc([N+](=O)[O-])c1OC 525562517 MQINWPQAWMHSDF-UHFFFAOYSA-N 430.501 4.354 5 20 IIBD COc1ccccc1COC1CCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 535815421 IWFWTYGHGKKJFG-MRXNPFEDSA-N 430.526 4.292 5 20 IIBD CC[C@@H](C)N(CC(=O)OC(C)(C)C)C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 536453534 FMYUNQROTORSOJ-OAHLLOKOSA-N 444.532 4.039 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl 538197750 KNMYTVXZHSBCHX-UHFFFAOYSA-N 428.919 4.405 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN2CCN(C3CCOCC3)CC2)cc1 538721279 ZQUYZXGQFUZHRW-UHFFFAOYSA-N 431.920 4.337 5 20 IIBD Cn1cc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 539155333 UUXINRANUDVFGB-AZUAARDMSA-N 444.850 4.048 5 20 IIBD CCCOc1cc(NC(=O)N2CCC[C@@H]2Cn2ccnc2)c([N+](=O)[O-])cc1OCCC 539545166 IBPIKRYDHXAXDZ-MRXNPFEDSA-N 431.493 4.065 5 20 IIBD C[C@H](C(=O)Nc1cc(C(N)=O)ccc1NCc1ccccc1)c1ccc([N+](=O)[O-])cc1F 542649266 CVYLQMHALPBGRQ-AWEZNQCLSA-N 436.443 4.187 5 20 IIBD COCCOc1ccc(Cc2noc(Cn3c4ccccc4c(=O)c4ccccc43)n2)cc1 545072252 GAIVOOUMEWLIJL-UHFFFAOYSA-N 441.487 4.202 5 20 IIBD COCCC(C)(C)CNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 545362415 XNBOKJMSVVISPX-UHFFFAOYSA-N 436.512 4.169 5 20 IIBD CCOC(=O)c1cc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])c(F)cc1C 551346538 SAHWQNYKKYPQNA-UHFFFAOYSA-N 431.239 4.295 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 552210380 ZUEWQKFZAQGHSB-NSHDSACASA-N 439.465 4.344 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N(Cc1ccccc1Cl)CC1CC1 552880716 RZNSOIXNSMNLMP-UHFFFAOYSA-N 443.887 4.375 5 20 IIBD Cc1cc(N2CCCCCC2)ccc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 554531618 RXEPUECTFJOUAX-UHFFFAOYSA-N 438.532 4.033 5 20 IIBD Cc1c(CNC(=O)N2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)cccc1[N+](=O)[O-] 554695815 GVYGFXNPAZYDPR-GOSISDBHSA-N 439.390 4.085 5 20 IIBD O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)Nc1cccc(-c2ccccc2)c1 559909358 XMIPBDISYCYFDL-UHFFFAOYSA-N 428.448 4.041 5 20 IIBD CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 560793530 MYEWXNJRHRSGKV-CWFSZBLJSA-N 447.329 4.367 5 20 IIBD CCOc1cc(C(=O)Nc2cncc(Cl)c2Br)c([N+](=O)[O-])cc1OC 561818126 YVJPNZSEUVUMEL-UHFFFAOYSA-N 430.642 4.065 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCn2c(cc3c(Cl)cccc32)C1 562595872 PJMIUKKVHJCDPB-UHFFFAOYSA-N 428.876 4.056 5 20 IIBD CCN(CC)[C@H](c1cccc(C(F)(F)F)c1)c1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 568813671 WNDGBQKFZDNSCC-CQSZACIVSA-N 438.410 4.137 5 20 IIBD COc1ccc(C2(NC(=O)C(=O)Nc3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CCCC2)cc1 572806149 WTNFBNIQTPKMLN-UHFFFAOYSA-N 439.512 4.425 5 20 IIBD COc1ccc(C(=O)Nc2cccc(OCCNc3ccc([N+](=O)[O-])c(N)c3F)c2)cc1 575795472 MJVZACSXQRGBQB-UHFFFAOYSA-N 440.431 4.068 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@](C(=O)OC)(c2ccccc2)C1 577050359 YROLBTQUVWXRTA-QFIPXVFZSA-N 428.510 4.054 5 20 IIBD O=c1c2ccccc2[nH]c2ccc(-c3nc(-c4cnc(OCC(F)(F)F)cn4)no3)cc12 579458621 OHJADFPEBVAMNZ-UHFFFAOYSA-N 439.353 4.129 5 20 IIBD COc1cc(CCNC(=O)NCc2ccc(-c3ccco3)cc2F)c([N+](=O)[O-])cc1OC 584509649 MKMDXCLBQDJTCA-UHFFFAOYSA-N 443.431 4.053 5 20 IIBD CC1(C)C[C@H](NCc2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)c2cc([N+](=O)[O-])ccc21 585765423 BUNFHHKMENBYDF-OFVILXPXSA-N 448.523 4.332 5 20 IIBD CN1CCC(N2CC[C@H](N(C)Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)C2)CC1 589196066 VHKXIXWJTNQBLH-NRFANRHFSA-N 442.535 4.127 5 20 IIBD COCCC1(C)CN(C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 589531894 WNABFWZYAYAUPD-UHFFFAOYSA-N 428.510 4.046 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccnn1Cc1ccc(C(F)(F)F)cc1 591273447 DTIBJCGCHVUBDP-UHFFFAOYSA-N 433.390 4.299 5 20 IIBD CC(C)Oc1ccccc1[C@H](C)Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 603862389 OODAYQAFXUJSGT-INIZCTEOSA-N 433.530 4.340 5 20 IIBD O=C(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)N[C@@H](c1ccccc1)c1cccc(Cl)c1 608869662 ATAABGMKVCEWHE-QFIPXVFZSA-N 447.882 4.413 5 20 IIBD CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])ccc1Cl 609164664 ANJMONDXFAJOCB-UHFFFAOYSA-N 441.875 4.194 5 20 IIBD O=C(c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC(O)CC1 609595934 PLPZIVZKTAMZNB-UHFFFAOYSA-N 426.416 4.362 5 20 IIBD COc1ccc(-c2nc(CSCCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)co2)cc1 609769117 BDZOWVWLWGGSNA-UHFFFAOYSA-N 441.465 4.490 5 20 IIBD CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 610271037 IFUITBMQGMQCLP-NRFANRHFSA-N 434.521 4.252 5 20 IIBD CCOCCCN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)[C@H](C)C1 611206223 ZPOKTRATEISASQ-DYESRHJHSA-N 449.617 4.496 5 20 IIBD O=C(NCc1nnc(C2CC2)n1C1CC1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 613531486 ZDTQAGZOVADNKQ-UHFFFAOYSA-N 427.530 4.363 5 20 IIBD CCOc1ccc2c(c1)[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)CCO2 618828512 XTANGEWBAFDGRP-QGZVFWFLSA-N 439.390 4.335 5 20 IIBD CCOc1cc(NC(=O)CCCc2nc(O)c3ccccc3n2)c([N+](=O)[O-])cc1OCC 619213161 YDVKNCAGRUOBLG-UHFFFAOYSA-N 440.456 4.002 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1 619478708 MSIWGWHPDWNXOI-QGZVFWFLSA-N 438.914 4.386 5 20 IIBD O=C(Nc1c(Cl)ccc2c1CCO2)c1cc(I)cc([N+](=O)[O-])c1 619522057 PJGAMSCCTIRXFZ-UHFFFAOYSA-N 444.612 4.040 5 20 IIBD Cc1onc2c(=O)n(CN(C)Cc3cc([N+](=O)[O-])ccc3Cl)nc(-c3ccccc3)c12 725768017 HGYRVZNSSUHLCP-UHFFFAOYSA-N 439.859 4.011 5 20 IIBD O=C(Nc1cc(F)ccc1F)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727586395 NPKQCHQDIRIRMK-UHFFFAOYSA-N 430.333 4.246 5 20 IIBD COc1ccc(CC(=O)O[C@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)cc1[N+](=O)[O-] 727885698 FHPGELBBXRPYHN-MRXNPFEDSA-N 440.452 4.020 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](Cc3ccccc3)C2)cc1Br 730016410 CLVMTSZTHYKFOK-OAHLLOKOSA-N 439.331 4.001 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(OCCCN(C)C)cc2)CC1 730510873 LYBGOMGPLLEQET-UHFFFAOYSA-N 440.544 4.414 5 20 IIBD CSCc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2I)c1 731586459 BRNCOAZPGJXRKJ-UHFFFAOYSA-N 428.251 4.315 5 20 IIBD C[C@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H](C)N1C(=O)OC(C)(C)C 733624590 MBJMHFJNERRXAL-TXEJJXNPSA-N 444.435 4.058 5 20 IIBD O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 734141439 CBKFSHRBCKVCRH-UHFFFAOYSA-N 447.413 4.004 5 20 IIBD COc1cc(Br)ccc1C(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 735443026 ORFVFDSCKZURNE-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD COc1cc(N2CCC(OC(=O)c3cc(SC)ccc3[N+](=O)[O-])CC2)ccc1[N+](=O)[O-] 739382159 VZVYTDBPXXELOD-UHFFFAOYSA-N 447.469 4.059 5 20 IIBD CN(CC1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1)C(=O)OC(C)(C)C 740483432 RNQVQSZVWJQXKS-UHFFFAOYSA-N 448.564 4.206 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 744354732 AMQMYDPBJXWZEJ-KRWDZBQOSA-N 446.237 4.192 5 20 IIBD Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 744515299 CAQUTAXMQUCEFL-HNNXBMFYSA-N 440.431 4.029 5 20 IIBD COC(=O)c1cccc(-c2nc(COC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])cs2)c1 744910930 UEXFHSGWQHMSCU-UHFFFAOYSA-N 434.376 4.140 5 20 IIBD CC(C)C(=O)Nc1ccc(Cl)c(C(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c1 745185774 AKJGPBDBURELRX-LBPRGKRZSA-N 433.848 4.027 5 20 IIBD Cn1c(C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc2cc(C(F)(F)F)ccc21 745631310 YWZBVJXSPIKYRA-UHFFFAOYSA-N 439.321 4.040 5 20 IIBD O=C(COC(=O)c1ccc(OCc2cccnc2)cc1)Nc1cc(Cl)ccc1[N+](=O)[O-] 746953306 JRLCMLVEMBVKTC-UHFFFAOYSA-N 441.827 4.018 5 20 IIBD Cc1c(C(=O)O[C@@H](C)C(=O)N2c3ccccc3CC[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748947510 MPTHYXLAEKMKPB-DOMZBBRYSA-N 441.440 4.033 5 20 IIBD CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cccc(Cl)c1[N+](=O)[O-] 750160713 LNUQKELXCXPNAD-UHFFFAOYSA-N 429.782 4.156 5 20 IIBD O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 750630300 BMMZLXAZCHBRQV-UHFFFAOYSA-N 435.362 4.109 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Oc1ccc(N2CCCC2=O)cc1 750895530 CXZPPKZKRWIZQX-UHFFFAOYSA-N 440.399 4.438 5 20 IIBD Cc1cc(F)cc(C(=O)OCc2nc(-c3cc(Br)cs3)no2)c1[N+](=O)[O-] 752558789 PPNGXXOPZYXYRW-UHFFFAOYSA-N 442.222 4.273 5 20 IIBD COC(=O)c1ccc(-c2nc(COC(=O)c3c(F)ccc([N+](=O)[O-])c3F)cs2)cc1 752567300 RXBJOPMOAVJRSQ-UHFFFAOYSA-N 434.376 4.140 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)Nc1ccc(Br)cc1 754987086 IANBLEYJSBRUDR-MRVPVSSYSA-N 445.628 4.334 5 20 IIBD CCOC(=O)c1nc(-c2ccccc2)oc1COC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F 755066897 HHZXBXUMPTZEDA-ZDUSSCGKSA-N 442.399 4.413 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 755672378 QBLPWQYHYHCXGN-UHFFFAOYSA-N 433.892 4.497 5 20 IIBD C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1ccc([S@@](C)=O)cc1 756039593 IQDXVHXIVUQFHT-UVJXUPGXSA-N 445.722 4.239 5 20 IIBD Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 759773502 HEQNGUJZBKNENG-GOSISDBHSA-N 433.940 4.209 5 20 IIBD COc1ccc(C(=O)CC(C)(C)CC(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)cc1 759824668 QHACMKNQJNJJPB-UHFFFAOYSA-N 426.425 4.477 5 20 IIBD COc1cc(C(=O)OCCc2ccnn2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 759914198 FGJONOMLTKIQDV-UHFFFAOYSA-N 431.832 4.182 5 20 IIBD COc1cccc(Br)c1OC(=O)c1ccc(Br)c([N+](=O)[O-])c1 769716464 LESSLGDSMRLUHQ-UHFFFAOYSA-N 431.036 4.348 5 20 IIBD COc1ccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1-n1nnnc1C1CC1 770601178 FDLZBVLUBLXXEF-UHFFFAOYSA-N 449.496 4.192 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1nc(Cc2ccc3c[nH]nc3c2)no1 771480916 ABKJPLSUNHDGSO-UHFFFAOYSA-N 432.362 4.118 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 771769321 WBCXPMXQRPYQNI-LBPRGKRZSA-N 446.426 4.382 5 20 IIBD CC(C)(C)C(=O)c1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2Br)cc1 775202459 SHZYXOMQJJVVET-UHFFFAOYSA-N 441.303 4.387 5 20 IIBD C[C@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(OCC(F)(F)F)cc1 775216037 FHPVNHHCZRPEEL-NSHDSACASA-N 431.798 4.479 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCC[C@](C)(O)c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 778014897 ZUEQFESPCATSRQ-OSPHWJPCSA-N 434.496 4.191 5 20 IIBD COc1cc(C)ccc1Oc1ccc(NC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)cn1 778237133 SWEWPKAZQSVHQE-UHFFFAOYSA-N 437.437 4.356 5 20 IIBD O=C(Oc1cc([N+](=O)[O-])ccc1I)c1cc(Cl)cc(Cl)n1 782665607 UYJCPVKJWXCLQR-UHFFFAOYSA-N 438.992 4.120 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N(Cc2cccs2)C(C)C)cc1[N+](=O)[O-] 783312801 JDLBKHCVQYEGEL-UHFFFAOYSA-N 440.319 4.103 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1cccc(CC[C@H](O)c2ccccc2)c1 786774347 IFLMLDUTLMXMOP-NRFANRHFSA-N 426.494 4.408 5 20 IIBD O=C(NC[C@@H](O)c1ccc(Cl)c(F)c1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 787479586 GRVQYOVCGQFERI-OAQYLSRUSA-N 444.846 4.430 5 20 IIBD COc1ccc([C@H](NC(=O)OC(C)(C)C)C(=N)NOCc2c(F)cccc2[N+](=O)[O-])cc1 789633573 SBELCFBCSNHCSR-SFHVURJKSA-N 448.451 4.007 5 20 IIBD CC(C)[C@H]1C[C@H](CC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCO1 791173204 BNXWMZJQWBBNPT-FZKQIMNGSA-N 425.323 4.083 5 20 IIBD COc1c(C(=O)O[C@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)cccc1[N+](=O)[O-] 796309509 OSOIMIVUHNPLHK-GOSISDBHSA-N 448.475 4.378 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 797777732 YCEPTIUZNOAFHJ-HAQNSBGRSA-N 441.228 4.077 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)c1cc([N+](=O)[O-])ccc1I 798009426 LHGHSCWHLQQFAX-SWLSCSKDSA-N 442.640 4.139 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCC(C)(C)c1ccc(C(F)(F)F)cc1 800633438 XHYBISXCVKOJOV-UHFFFAOYSA-N 441.381 4.094 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 803650295 CPKJGXQLQLOUFG-GOSISDBHSA-N 441.381 4.233 5 20 IIBD Cc1c(C(=O)NC[C@H](OCC2CC2)c2ccc(Cl)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 804126261 FFSKKTAVASLNMZ-IBGZPJMESA-N 433.848 4.363 5 20 IIBD O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1cc(F)c(C(F)(F)F)cc1F 805872023 LLCUSNAOXCCVLB-UHFFFAOYSA-N 445.344 4.360 5 20 IIBD O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 807788587 CPXKPYXFCYUJAK-LJQANCHMSA-N 437.418 4.067 5 20 IIBD COc1cc(NC(C)=O)c(C(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1OC 811031195 XFUYSBATYITVNQ-UHFFFAOYSA-N 443.239 4.234 5 20 IIBD O=C(Nc1cccc(OS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])c1)c1ccco1 815014203 ZAQKNQFXHGJYEI-UHFFFAOYSA-N 440.792 4.000 5 20 IIBD C[C@H](OC(=O)CSc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Br)cc1 819017186 YZIZRYXPNYLBIH-NSHDSACASA-N 439.287 4.020 5 20 IIBD Nc1ccc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1[N+](=O)[O-] 819899627 RPBLYRGPNWHFSI-UHFFFAOYSA-N 443.813 4.099 5 20 IIBD Cc1cc(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)ccc1NS(=O)(=O)C(F)(F)F 819989874 JXILFTVSLBOPKV-UHFFFAOYSA-N 431.392 4.034 5 20 IIBD O=[N+]([O-])c1cc(CN2CCC(Oc3cncc(Cl)c3)CC2)ccc1Br 821278951 HJPGDJAAAFNJQS-UHFFFAOYSA-N 426.698 4.449 5 20 IIBD CCC[C@H](NC(=O)[C@H](C)OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccc1 917219160 ASEMRLNYXCDLIN-PXNSSMCTSA-N 439.512 4.398 5 20 IIBD Cc1ccn2c(=O)cc(COC(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)nc2c1 917257184 LDJGHEGRYBUBDB-UHFFFAOYSA-N 431.404 4.060 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2COCc2ccccc2)c([N+](=O)[O-])c1 917746091 JAQFCXDBSNLHLZ-UHFFFAOYSA-N 443.437 4.021 5 20 IIBD CC(C)[C@H](OC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C(=O)N1CCCC[C@H]1C 919195852 OBUVFBWRKOIJPD-DYVFJYSZSA-N 446.422 4.118 5 20 IIBD Cc1cccc(NC(=O)[C@H](OC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C(C)C)c1C 919227365 SRYPCFBCRHXNMG-LJQANCHMSA-N 429.429 4.248 5 20 IIBD COc1cccc(N2CCC(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)c1 1318113405 KOGDGZVAEWAEQY-UHFFFAOYSA-N 438.509 4.126 5 20 IIBD O=C(CC1c2ccccc2Oc2ccccc21)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 1318712849 CJFUPTZXZAHUHT-MRXNPFEDSA-N 430.464 4.331 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 1327874659 AAZOVTDBUBCKEH-FRIKZZABSA-N 432.524 4.251 5 20 IIBD O=[N+]([O-])c1ccccc1OCc1nnc(-c2cnn(-c3ccccc3)c2C(F)(F)F)o1 1345520195 VAFHNPFNTHCWFA-UHFFFAOYSA-N 431.330 4.428 5 20 IIBD Cn1cnnc1Sc1ccc(-c2nnc(-c3cc4c(s3)CCC4)o2)cc1[N+](=O)[O-] 1345603450 ZBTDANQZBVEWAU-UHFFFAOYSA-N 426.483 4.142 5 20 IIBD COc1ccc(NC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)c([N+](=O)[O-])c1 1517294224 JOTSDSYVRMQOPG-QGZVFWFLSA-N 426.395 4.047 5 20 IIBD C/C=C(\C)C(=O)NC1(c2ccc(NC(=O)Cc3cc([N+](=O)[O-])ccc3F)cc2)CCC1 1786671293 BRIOJNGJLLYZJP-CRKCGEKBSA-N 425.460 4.377 5 20 IIBD COc1cc(CC(=O)NC2(c3ccc(NC(=O)c4ccco4)cc3)CCC2)ccc1[N+](=O)[O-] 1787271362 OWEYHAMCZHOVPI-UHFFFAOYSA-N 449.463 4.187 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccsc3)CCC2)cc1)c1cc(O)cc([N+](=O)[O-])c1 1790755404 UTNNZDUPKVYGEL-UHFFFAOYSA-N 437.477 4.423 5 20 IIBD Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc([N+](=O)[O-])o2)oc2ccccc12 1793274218 UVQXPTKNNXHGKG-FXVHVQRGSA-N 449.463 4.208 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2ccccc12 1797288877 DDBUOSFIBPKJTD-WKCHPHFGSA-N 443.503 4.243 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2ccoc2c1)c1cc(F)cc([N+](=O)[O-])c1 1800991214 LTEGXKRXRQRRNP-REPLKXPHSA-N 437.427 4.046 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CC(C)(C)C)n[nH]1 1816763900 WTFFALPKNMSFEH-MRXNPFEDSA-N 443.504 4.074 5 20 IIBD C/C=C(/C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(F)ccc([N+](=O)[O-])c2C)n[nH]1 1821285299 AQKOFMSCHINXAB-NFVXFYCRSA-N 429.452 4.038 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CC2(CCCN2C(=O)c2ccc(C(C)C)cc2)C1 1844950740 YNCRGTKMEQUNPH-UHFFFAOYSA-N 439.487 4.297 5 20 IIBD C[C@@H](OC(=O)CCC(=O)c1cccs1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 10531548 PECODMPDXUQSEY-SNVBAGLBSA-N 444.387 4.208 5 20 IIBD Cc1ccc(OC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c([N+](=O)[O-])c1 11747803 CSSCECARXGANGW-UHFFFAOYSA-N 436.386 4.380 5 20 IIBD CCCOc1c(Cl)cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1OCC 14667488 WKTOSGCWDAHDIN-UHFFFAOYSA-N 447.919 4.398 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 15171924 WQDXKVPJIIXDKT-INIZCTEOSA-N 426.498 4.378 5 20 IIBD COCCN(C(=O)Cc1cc(C)ccc1OC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 17346248 HNQVOCPBNUXYPZ-UHFFFAOYSA-N 441.509 4.257 5 20 IIBD CCOc1ccc(C(=O)O[C@@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-] 25387738 BFFKLZRUONPPJX-KGLIPLIRSA-N 426.425 4.162 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nnc(-c2ccc(Cl)cc2)n1C 26234679 MHESGVJWFVPIGV-UHFFFAOYSA-N 447.904 4.173 5 20 IIBD C[C@@H](Sc1nc(-c2ccccc2Br)n[nH]1)C(=O)Nc1cccc([N+](=O)[O-])c1 28806402 YATJXYSJNNRSGS-SNVBAGLBSA-N 448.302 4.262 5 20 IIBD O=S1(=O)CC[C@H](Cc2nnc(SCc3nc4ccccc4c4ccccc34)o2)C1 45493919 GKAHEVPJUKYSKB-CQSZACIVSA-N 425.535 4.041 5 20 IIBD Cc1nc(-c2ccc(CCNC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)cc2)cs1 109276451 BAUSBQFYQIVGEU-UHFFFAOYSA-N 433.493 4.185 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCCSc2ccc(Cl)cc2)ccc1[N+](=O)[O-] 110317729 GBLCSQDYRZRBIC-IBGZPJMESA-N 447.944 4.070 5 20 IIBD CC(C)NC(=O)c1ccc(N2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)c([N+](=O)[O-])c1 301711271 KMOZUPZULNVHSZ-YADHBBJMSA-N 436.556 4.224 5 20 IIBD Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 303737757 XWTQOKUGJLHXNH-LLVKDONJSA-N 449.945 4.463 5 20 IIBD CSc1ccccc1N(C)S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 425948236 BHWNXXJMYPMVSJ-UHFFFAOYSA-N 431.333 4.213 5 20 IIBD CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 426265561 HNVJLNUWPKRAJX-UHFFFAOYSA-N 438.450 4.407 5 20 IIBD O=C(Nc1ccc(F)cc1NC1CC1)c1ccc([N+](=O)[O-])cc1I 426933403 SJIGWWDYKZGOET-UHFFFAOYSA-N 441.200 4.165 5 20 IIBD CCN(CC)C(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 429932766 LGMRWSHQAORFEI-UHFFFAOYSA-N 434.290 4.021 5 20 IIBD CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 430446152 FNVYUCGGHHPOBM-AEFFLSMTSA-N 429.687 4.214 5 20 IIBD O=C(NCCc1ccc(Br)cc1)c1ccc(Br)cc1[N+](=O)[O-] 430609685 IKBXWJSXEJGFRZ-UHFFFAOYSA-N 428.080 4.092 5 20 IIBD Cc1nc2ccccc2n1CCCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436115331 OFAXRINWLORMQJ-UHFFFAOYSA-N 446.457 4.438 5 20 IIBD O=C1Nc2ccccc2[C@H]1C1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 436359022 JPHSNXUQOOUMJT-XMMPIXPASA-N 437.499 4.269 5 20 IIBD O=C(NCC1CCN(Cc2cccs2)CC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437214960 IYLAXMZUGHAHPD-UHFFFAOYSA-N 427.448 4.317 5 20 IIBD CC[C@@H](CNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1)Oc1ccccc1C(F)(F)F 439653989 WCOLMRKQOLWYAN-ZDUSSCGKSA-N 442.390 4.218 5 20 IIBD O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3coc(-c4ccc(Br)cc4)n3)C2)nc1 440502515 HMIYOFSQRPETAX-HNNXBMFYSA-N 444.289 4.094 5 20 IIBD CCOc1cc(NC(=O)C(=O)Nc2ccc(OC(C)C)c(C)c2)c([N+](=O)[O-])cc1OCC 441554571 KDHYWLDVSLLQCN-UHFFFAOYSA-N 445.472 4.065 5 20 IIBD Cc1c(C)n(C[C@H]2CCCO2)c2ncnc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c12 445952708 LETANTXZPMWZQT-MRXNPFEDSA-N 435.440 4.134 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cnn(C)c3C(F)(F)F)cc2[N+](=O)[O-])C1 446375484 ZXIBXSJHNGTYDP-VXGBXAGGSA-N 425.411 4.082 5 20 IIBD O=C([C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 446425209 JDXBIELWGXZEIZ-IBGZPJMESA-N 448.306 4.091 5 20 IIBD CCc1noc(CC)c1CNc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 447072163 HDKKAFATBZWYPC-UHFFFAOYSA-N 430.486 4.121 5 20 IIBD Cc1cnn([C@@H]2CCN(C(=O)c3ccc(Sc4nc(C)cs4)c([N+](=O)[O-])c3)C2)c1 461388021 ZARSYMQQUMPKAX-OAHLLOKOSA-N 429.527 4.103 5 20 IIBD O=C(c1ccc(C(=O)N2CCc3c(F)cccc32)c([N+](=O)[O-])c1)N1CCc2c(F)cccc21 461860840 DPMFEKVCKILJAT-UHFFFAOYSA-N 449.413 4.279 5 20 IIBD O=C(c1c(Cl)cccc1I)N1CCc2ccc([N+](=O)[O-])cc21 463646012 XHDRFKFNIJEVDW-UHFFFAOYSA-N 428.613 4.056 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C)C(c1ccccc1)c1ccccc1 464015473 YENKYVDPHLQCGS-SFHVURJKSA-N 431.492 4.487 5 20 IIBD C[C@@H](CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)Oc1cccc(Br)c1 464681589 GAOSNCUAOFKQPP-QWHCGFSZSA-N 439.331 4.422 5 20 IIBD CC(C)[C@@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1nc2ccccc2[nH]1 465458062 YFYYILINEYAGGI-OAQYLSRUSA-N 437.500 4.421 5 20 IIBD CC(=O)N1CCC(CNC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CC1 466747253 GUPHLAAUGUUEAR-UHFFFAOYSA-N 447.944 4.388 5 20 IIBD Cc1sc(S(=O)(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1[N+](=O)[O-] 467404341 YOAKBKFPLJMSKW-INIZCTEOSA-N 426.566 4.424 5 20 IIBD CC(C)(CNC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1cccc(Cl)c1F 470607012 QWEDUPWEKIGBRB-UHFFFAOYSA-N 426.897 4.179 5 20 IIBD O=c1c2c(C3CC3)csc2nc(SCCn2cc([N+](=O)[O-])cn2)n1-c1ccccc1 470841193 RSWUXDDSWKSHCG-UHFFFAOYSA-N 439.522 4.222 5 20 IIBD COCCC[C@@H](Cc1ccccc1)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 471304107 MLAUFYVHHVVJMN-SFHVURJKSA-N 425.510 4.486 5 20 IIBD C[C@H]1CCc2c(sc3nc(CCC(=O)Nc4cc(F)cc([N+](=O)[O-])c4)nc(O)c23)C1 473347694 GTUPGWWEWJJHLH-JTQLQIEISA-N 430.461 4.140 5 20 IIBD Cc1cc(NC(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)ccc1[N+](=O)[O-] 473773329 NXRUMBXEFYICTD-UHFFFAOYSA-N 437.283 4.200 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(OCCN2CCCC2)cc1 477595420 DVCXNTBECMWBID-UHFFFAOYSA-N 440.544 4.190 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(Br)cc1 478958280 VJSGNRSMHIKTOG-UHFFFAOYSA-N 439.331 4.368 5 20 IIBD Cc1ccc([C@@H](C)N[C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)cc1[N+](=O)[O-] 479408360 NDEOTNUNVSGVSV-GHMZBOCLSA-N 432.329 4.269 5 20 IIBD C[C@H](NC(=O)N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1cccc([N+](=O)[O-])c1 481064652 XUGBOYYYZJDOEZ-VBKZILBWSA-N 437.418 4.376 5 20 IIBD O=C(Nc1nc([C@H]2C[C@H]3CC[C@H]2C3)cs1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 482355323 XCIJJQGZRIGGEV-ABHRYQDASA-N 446.554 4.260 5 20 IIBD COc1cc(C(=O)NC[C@@H]2CCC[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1OCc1cscn1 482682849 KUYFHFUTVAYBPM-KFWWJZLASA-N 433.530 4.441 5 20 IIBD CCNC(=O)c1ccc(C)c(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c1 482909128 UCSRQBKNWJLBGF-HOTGVXAUSA-N 438.528 4.388 5 20 IIBD Cc1c(CNC(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)cccc1[N+](=O)[O-] 483697240 DXMVXDZOLPQHIL-UHFFFAOYSA-N 430.464 4.428 5 20 IIBD Cc1c(CNC(=O)C(=O)Nc2cccc(CO[C@H]3CCC[C@@H](C)C3)c2)cccc1[N+](=O)[O-] 483813200 BXTUMJRVPLDRPR-IERDGZPVSA-N 439.512 4.253 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)cc1SC 484804361 IGQMASVWWFJAHD-UHFFFAOYSA-N 449.960 4.327 5 20 IIBD CO[C@H](C)C(=O)Nc1cccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 485745880 HVIJXOSWQAMMKX-MRXNPFEDSA-N 449.463 4.400 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 488244673 FDXQOMMXXYKAGC-CQSZACIVSA-N 440.905 4.081 5 20 IIBD C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 488755128 WRZSGYPCCKIRKV-QGZVFWFLSA-N 435.484 4.248 5 20 IIBD CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)CCOc1ccccc1[N+](=O)[O-] 489005040 QRAAXILZYMUTNS-QGZVFWFLSA-N 427.501 4.246 5 20 IIBD CCc1c(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cnn1-c1ccccc1Cl 489081252 VIOLVCMUNYSBDD-UHFFFAOYSA-N 443.895 4.062 5 20 IIBD CN(C)CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CC1 489549657 OPCLZYOGYXWVSO-UHFFFAOYSA-N 430.936 4.274 5 20 IIBD Cc1ccc([C@H](C)NC(=O)NCC2(N[C@H](C)c3ccccc3)CCOCC2)cc1[N+](=O)[O-] 489567491 WZYYFBRGNJSTKD-RBUKOAKNSA-N 440.544 4.163 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)cc1[N+](=O)[O-] 492975563 GJDDGEZMNLYCCA-UHFFFAOYSA-N 438.918 4.108 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1[N+](=O)[O-] 494028263 QBNPOEVMJIMAKT-CQSZACIVSA-N 449.492 4.095 5 20 IIBD CCN(C(=O)COc1ccccc1[N+](=O)[O-])[C@@H](c1cccnc1)c1ccc(F)cc1F 496572961 NDOLCOCHOXNIGO-QFIPXVFZSA-N 427.407 4.285 5 20 IIBD COc1cc(Br)ccc1CCCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] 499247824 YWOZOQUKQZRTDZ-UHFFFAOYSA-N 435.318 4.393 5 20 IIBD COc1cc(CCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OC 499678755 SPWGDXVNKGZAPO-GJZGRUSLSA-N 439.295 4.381 5 20 IIBD Cc1cc(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)ccc1NC(=O)c1ccco1 501150266 RWXUNFQBTYFYOU-UHFFFAOYSA-N 449.467 4.103 5 20 IIBD Cc1cc(NC(=O)CSc2ccccc2[N+](=O)[O-])nn1CCCOc1ccc(F)cc1 504360022 QCZJMZOQRMECAD-UHFFFAOYSA-N 444.488 4.439 5 20 IIBD CC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3cc(C(=O)O)cc([N+](=O)[O-])c3)CC2)cc1 506808416 XNYHECVJLKHYSZ-UHFFFAOYSA-N 438.480 4.227 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)NCc1cccc(NC(=O)Nc2ccccc2)c1 506820825 ILLIDIRFHJFLRI-UHFFFAOYSA-N 433.468 4.281 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1Cn1cncn1 507792888 UEPVFRQIBLKPQX-UHFFFAOYSA-N 425.514 4.057 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H](C)c2ccc(-n3cccn3)c(F)c2)cc1[N+](=O)[O-] 508833409 HGZWTFRLCLFJDU-AWEZNQCLSA-N 444.488 4.039 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1Cc1c(F)cc([N+](=O)[O-])cc1F 509007516 SCDAMOOIHMJWRX-QFIPXVFZSA-N 442.466 4.308 5 20 IIBD COc1cc(CNCc2cccc(C(=O)N(C)C)c2)c([N+](=O)[O-])cc1OCc1ccccc1 509605410 YMBJZKMYOUCPAS-UHFFFAOYSA-N 449.507 4.174 5 20 IIBD O=C(N[C@H]1CCN(C(=O)Nc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 512924462 NCTVOHINRFRQAQ-SFHVURJKSA-N 446.463 4.423 5 20 IIBD C[C@@H](NCC1(c2ccc(F)cc2)CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 513196616 PYOLIOHALQHZJB-CQSZACIVSA-N 435.883 4.052 5 20 IIBD Cc1ccc(C(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)c(C)c1 516786017 LWSCPAOPILZPNW-UHFFFAOYSA-N 436.917 4.149 5 20 IIBD C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 518372353 QFDMUXFZAINOLL-ZDUSSCGKSA-N 448.882 4.453 5 20 IIBD COc1cc(C(=O)N[C@@H](c2ccccc2)c2ccncc2)c([N+](=O)[O-])cc1OC(F)F 520507642 DBEAEWMPEDNYFI-IBGZPJMESA-N 429.379 4.119 5 20 IIBD O=C(NCc1cccc(COCc2ccco2)c1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 521067328 HOPBUUVJJKJLOQ-UHFFFAOYSA-N 433.420 4.088 5 20 IIBD CCCCc1nc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2[nH]1 522569088 DBYUWNUQAXXAMX-NRFANRHFSA-N 449.511 4.365 5 20 IIBD CC(=O)N(CCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1)Cc1ccccc1 523184167 NPDFVLWABAEFRJ-UHFFFAOYSA-N 438.509 4.404 5 20 IIBD Cc1ccc(NCCCNC(=O)C2CCC(NC(=O)CC3CCCC3)CC2)c([N+](=O)[O-])c1 523511018 POUAGEIXDWBFNZ-UHFFFAOYSA-N 444.576 4.077 5 20 IIBD O=C(NCCCc1nc(-c2ccncc2)cs1)c1ccc([N+](=O)[O-])cc1Br 523547119 WCDZREDXODQVED-UHFFFAOYSA-N 447.314 4.238 5 20 IIBD CN(Cc1cc(Br)cs1)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 523877065 FFICPDNPJQPLQZ-UHFFFAOYSA-N 433.711 4.500 5 20 IIBD CC[C@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccc(F)cc1F 524583147 HSVBDZGWBWFAOS-HNNXBMFYSA-N 433.440 4.034 5 20 IIBD O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 524744908 HOJDUBSNFDQYFR-UHFFFAOYSA-N 425.876 4.346 5 20 IIBD C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 526020154 XEYFBXICXMNFRO-OAHLLOKOSA-N 426.450 4.188 5 20 IIBD Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 533744705 BAJVLFOHIVCETJ-QGZVFWFLSA-N 442.903 4.366 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN3CCS(=O)(=O)C4(CCCCC4)C3)o2)c(Cl)c1 535802259 TWLNFFAMURDEHN-UHFFFAOYSA-N 438.933 4.442 5 20 IIBD CC(C)[C@H](NC(=O)C[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 536305523 UGRFAJMPUYHZHL-BGOLNKOXSA-N 441.509 4.012 5 20 IIBD COc1ccccc1COC1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 539884131 OHKMGOAZARVJMM-UHFFFAOYSA-N 441.528 4.317 5 20 IIBD COc1ccc(CNC(=O)c2ccccc2C(=O)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] 541235596 TXKUUSJKUATWLU-UHFFFAOYSA-N 426.375 4.043 5 20 IIBD COc1ccc(NC(=O)N[C@@H](C)[C@H](OC)c2ccc(Br)cc2)cc1[N+](=O)[O-] 542029757 UTEHIAQREDHPEU-GTNSWQLSSA-N 438.278 4.264 5 20 IIBD CCc1ccc([C@@H](NCCNC(=O)c2c(F)cccc2F)c2ccc([N+](=O)[O-])cc2)o1 542493807 BTRXZGKNBQRNAO-NRFANRHFSA-N 429.423 4.137 5 20 IIBD CN(C)C(=O)Nc1ccc(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)c(Cl)c1 545669339 SKAGTUOCQGMVTF-UHFFFAOYSA-N 430.852 4.046 5 20 IIBD O=[N+]([O-])c1cccc(OCc2nc(Cc3c[nH]c4ccc(Br)cc34)no2)c1 545694865 LONOBJLVYJJFLS-UHFFFAOYSA-N 429.230 4.391 5 20 IIBD NC(=O)c1ccc(Oc2ccc(-c3nc(CCNc4ccccc4[N+](=O)[O-])no3)cc2)cc1 547086058 FUDWTURQIAWRJG-UHFFFAOYSA-N 445.435 4.191 5 20 IIBD O=[N+]([O-])c1ccc(/C=C(\Cc2nc(-c3nc[nH]n3)no2)c2nc3ccccc3s2)cc1 547299631 RPTPRUSUSUBGAP-UKTHLTGXSA-N 431.437 4.156 5 20 IIBD O=[N+]([O-])c1ccn(C2CCN(c3nnc(C4CCCC4)n3CCc3ccccc3)CC2)n1 549179550 WUERFZZSRHMZJE-UHFFFAOYSA-N 435.532 4.125 5 20 IIBD O=[N+]([O-])c1ccn(C2CCN(c3nnc(CC4CCCC4)n3Cc3cccs3)CC2)n1 549568922 KOAFHDTXGLQGSN-UHFFFAOYSA-N 441.561 4.067 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CC(F)(F)F)CC1 552786320 XDIVORPRGPRYAF-UHFFFAOYSA-N 434.436 4.055 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CC[C@]4(CCc5ccccc5O4)C3)cc2)c(C)c1[N+](=O)[O-] 555079711 KJLPDOSTFGLVNU-RUZDIDTESA-N 446.507 4.066 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCc1nc(C(C)(C)C)cs1 555879086 BUDZMAAYAPSQGL-UHFFFAOYSA-N 426.336 4.392 5 20 IIBD CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 557071797 PVLQQNYDUIMKGK-UHFFFAOYSA-N 437.418 4.408 5 20 IIBD CC(C)n1cnnc1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 561943704 DKOGAKSTOGEQQD-UHFFFAOYSA-N 442.907 4.305 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@@]2(CCc3ccccc3O2)C1 563781900 UBPIHVYIOFWJPY-SFHVURJKSA-N 443.308 4.060 5 20 IIBD O=C(Nc1nnc(C2CCOCC2)s1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 563835442 KZBKDRAVBBBSEW-UHFFFAOYSA-N 425.470 4.336 5 20 IIBD CCOc1ccccc1C(=O)N1CCC[C@@H]1c1nc(Cc2cccc([N+](=O)[O-])c2C)no1 565625920 LNBJXCCRYSCOLC-LJQANCHMSA-N 436.468 4.253 5 20 IIBD Cc1cc(OCc2nc(-c3ccc(N(C)C(=O)c4ccncc4)cc3)no2)ccc1[N+](=O)[O-] 567516118 BJTVKHQQCMNPBQ-UHFFFAOYSA-N 445.435 4.204 5 20 IIBD COC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c1Cl 575369902 FLMIOGNFUALQNV-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD CCS(=O)(=O)c1ccc([C@@H](C)Nc2ncc([N+](=O)[O-])c(C)c2Br)cc1 577783391 PLPJPAHDRNAJLK-LLVKDONJSA-N 428.308 4.027 5 20 IIBD CCOc1ccc(NC(=O)CNc2ccccc2O[C@H](C)C(F)(F)F)c([N+](=O)[O-])c1 577797829 OQFFTOLXLYEJJB-GFCCVEGCSA-N 427.379 4.374 5 20 IIBD O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)Nc1ccc2oc3ccccc3c2c1 579522497 SYBZEUJCMFVVQT-UHFFFAOYSA-N 442.431 4.273 5 20 IIBD Cn1ccnc1[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 579647336 KUVDACHCWIGUBP-CYBMUJFWSA-N 431.290 4.340 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)[C@H](C)c1ccccc1C(F)(F)F 582390612 QFRNZZNLCQNSED-STQMWFEESA-N 437.418 4.423 5 20 IIBD Cc1ccc(NC(=O)Nc2cccc3c2CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C3)cc1 582742796 NEXBJCZRJWLDOC-UHFFFAOYSA-N 445.479 4.209 5 20 IIBD O=[N+]([O-])c1cccc(OC[C@@H](O)CNC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)c1 583708582 HEYZEOWLFIYZNE-REWPJTCUSA-N 431.492 4.238 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CCC(C(=O)c3ccc(C)cc3C)CC2)cc([N+](=O)[O-])c1 603576890 ZLSQFHARCGNBAR-UHFFFAOYSA-N 438.480 4.123 5 20 IIBD Cc1ccc(C(=O)N(C)C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 603759807 ROQVKHRLXAPFJX-UHFFFAOYSA-N 432.480 4.469 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604258125 SXKLPCZJDIXVRH-BETUJISGSA-N 439.356 4.398 5 20 IIBD CNc1ccc(C(=O)N2CCc3[nH]c4c(Br)cccc4c3C2)cc1[N+](=O)[O-] 604334061 SNOCMXGBHJBQQP-UHFFFAOYSA-N 429.274 4.079 5 20 IIBD COc1ccc(CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC(C)C)cc1OC 609672516 HZBQARUTHSSCRG-UHFFFAOYSA-N 430.501 4.179 5 20 IIBD COC(=O)c1cc(NC(=O)CCSc2ccccc2Br)cc([N+](=O)[O-])c1 609838710 HWZAYZWMZNVLOY-UHFFFAOYSA-N 439.287 4.265 5 20 IIBD Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c(OC[C@H]2CCCO2)c1 610041906 LJAUEKUCDRENCG-CQSZACIVSA-N 435.274 4.476 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@H](Cc1ccccc1)c1ccccc1F 610149441 LFTQGPVLJHCBDH-HXUWFJFHSA-N 441.846 4.426 5 20 IIBD COc1cc(C)ccc1Oc1ccc(NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)cn1 610171687 SAEPRCXWUXDVIV-UHFFFAOYSA-N 439.424 4.369 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc2c(c1)NC(=O)CC2 610203987 CDRFVFZMROQIPH-UHFFFAOYSA-N 425.388 4.229 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CCC(OCCN2CCCC2)CC1 611211124 RRKFYUHZBLFCCJ-UHFFFAOYSA-N 447.601 4.347 5 20 IIBD COc1cc(C(F)(F)F)ncc1NC(=O)c1sc(Br)cc1[N+](=O)[O-] 618473834 UZTMRQTVBSMVSN-UHFFFAOYSA-N 426.170 4.094 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N1CCCCc2sccc21 619557973 TXTMXVIMGSBPFJ-UHFFFAOYSA-N 428.251 4.244 5 20 IIBD O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCO[C@H](c2ccccc2Br)C1 725729555 WURFYJNLJYGKIZ-SFHVURJKSA-N 430.258 4.052 5 20 IIBD CC(C)[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)N(C)c1ccccc1 725984728 AXXWVIPSVDYCLA-QGZVFWFLSA-N 435.274 4.202 5 20 IIBD CCOC(=O)N(C)C1CCN(c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])CC1 727432641 PLOYZPAPCYZZDP-UHFFFAOYSA-N 440.500 4.213 5 20 IIBD COCCCN1Cc2cccc(N[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2C1 728066592 RRSGUGRSVSHTBB-AWEZNQCLSA-N 432.908 4.039 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)C1CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 730259093 ORIZIWFUADURRA-INIZCTEOSA-N 429.521 4.041 5 20 IIBD O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H]1COC(=O)C1(c2ccc(F)cc2)CCCC1 730703841 MUBGSAGMDNRXGT-IBGZPJMESA-N 440.471 4.394 5 20 IIBD C[C@@H](OC(=O)[C@@H](C)Oc1ccc(F)cc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 733565916 XLPAXBMQSUXSFU-NXEZZACHSA-N 445.230 4.378 5 20 IIBD CC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccc(Cl)s1 733937177 OSPQEHXGRUTKQB-MFKMUULPSA-N 425.869 4.069 5 20 IIBD Cc1cc(C)c(N2C[C@@H](C(=O)OCc3cnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2=O)c(C)c1 735445510 JJOOXZASXBFDGG-SFHVURJKSA-N 449.463 4.271 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)NC[C@H](O)c1ccco1 735586184 LJTRZQUWCJVDDO-INIZCTEOSA-N 449.822 4.305 5 20 IIBD COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)CC1=O 735801209 ASCXUENFYNZYGS-LLVKDONJSA-N 438.267 4.210 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)CCCNC(=O)OC(C)(C)C)cc2[N+](=O)[O-])C1 736044016 NIDNBBLCTDBXQN-IRXDYDNUSA-N 448.564 4.064 5 20 IIBD Cc1ccc(-c2cc(C(=O)N3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)c3ccccc3n2)o1 736165235 ANXGJKZADFDJJV-INIZCTEOSA-N 443.463 4.433 5 20 IIBD COCC[C@H](Cc1cccc(Br)c1)C(=O)Oc1ccc(OC)cc1[N+](=O)[O-] 741173974 WSJNTOLJJIKSMV-CQSZACIVSA-N 438.274 4.167 5 20 IIBD Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1NC(=O)OC(C)(C)C 745453634 FMTXWYWJMPGYRU-AWEZNQCLSA-N 443.456 4.434 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)c(C(F)(F)F)c1 748307235 JORBAUUGDZWKNP-KRWDZBQOSA-N 449.477 4.047 5 20 IIBD CCCCCCNC(=O)[C@H]1CCCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 748318196 NIVIAEHPOYCIBR-AEFFLSMTSA-N 429.521 4.114 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 748529796 QFAJICGNIGKBJO-ROUUACIJSA-N 442.516 4.470 5 20 IIBD O=C(CCN1CCCCC1)Nc1ccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1 749943498 ZHGHRXCYDDITKK-UHFFFAOYSA-N 430.892 4.315 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCC(OC[C@H]2CCCO2)CC1 751345516 XIFFHQSFFVTJQT-OAQYLSRUSA-N 439.512 4.007 5 20 IIBD CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1 751635004 MZTCKGQLFNHAJH-GFCCVEGCSA-N 436.873 4.113 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[C@@H](OCCCc2ccccc2)C1 752430196 PLNNETMHSZXPGH-JOCHJYFZSA-N 437.540 4.449 5 20 IIBD C[C@H](CC(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1F 752494155 BTAHHEIENQCLCA-GDBMZVCRSA-N 432.423 4.215 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)cc1[N+](=O)[O-] 753066010 NTUJBXVWWHGHSH-INIZCTEOSA-N 436.877 4.085 5 20 IIBD Cc1cc(Br)ncc1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 753184051 YRPVARQFSOUZDQ-UHFFFAOYSA-N 429.068 4.384 5 20 IIBD C[C@H](C(=O)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1F 754429665 WNCNDVSWGBBIQI-HNNXBMFYSA-N 437.512 4.333 5 20 IIBD O=C(N[C@@H]1CCOc2c(Cl)cccc21)c1cc(F)cc([N+](=O)[O-])c1Br 754636881 RQMHZSJEQPUKAT-GFCCVEGCSA-N 429.629 4.403 5 20 IIBD O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc(-c2ccccn2)ccc1Cl 754996912 HGARICHASPJQQI-FQEVSTJZSA-N 437.839 4.273 5 20 IIBD Cc1cc(-c2noc([C@@H](C)NCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)n2)ccc1F 755169152 XOECYKSZNZSPPU-LLVKDONJSA-N 433.827 4.035 5 20 IIBD C[C@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 757194769 DCCZYUJLOVZBEB-KBPBESRZSA-N 440.928 4.083 5 20 IIBD C[C@H](OC(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 757856328 LYHUDBLWQSHBPP-INIZCTEOSA-N 447.447 4.055 5 20 IIBD CCN(CC)CCOc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2Br)cc1 757926288 ZHOICORQZKLNAK-UHFFFAOYSA-N 436.306 4.330 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)Oc1cccc2ccc(N3CCCCC3)nc12 759012629 XALVBKRRRKZGLY-UHFFFAOYSA-N 427.482 4.042 5 20 IIBD CC(=O)Nc1ccc(C)c2c1CCCN2C(=O)c1cccc([N+](=O)[O-])c1Br 759055178 RURDSNVAPMIPJZ-UHFFFAOYSA-N 432.274 4.217 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(-c4ccc(N5CCCC5)c([N+](=O)[O-])c4)n3)c2c1 762309210 OLLBOYGVXZZXSP-UHFFFAOYSA-N 434.412 4.225 5 20 IIBD O=C(Nc1ccccc1OCC(F)F)c1cc([N+](=O)[O-])ccc1I 762381140 SBRGPIGOPSCDIA-UHFFFAOYSA-N 448.163 4.096 5 20 IIBD C[C@H](Oc1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cc1)C(N)=O 764271860 CPHCOLQAMHTEDA-ZDUSSCGKSA-N 430.482 4.101 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)O[C@H](Cc1ccccc1)c1cccnc1 766500653 VAMVEUTVITYWKT-OAQYLSRUSA-N 447.447 4.205 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Oc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 767596834 MKFMCIOBVXBRTB-CQSZACIVSA-N 436.486 4.257 5 20 IIBD CN(c1ccccc1)c1ccc(CN2CCC[C@@H]([C@H](O)c3nccn3C)C2)cc1[N+](=O)[O-] 770333431 XPGYQQGWHLGMED-XXBNENTESA-N 435.528 4.042 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCc1nc(-c2cc3ccccc3o2)cs1 772988572 HMFXOMKDZSVYMZ-UHFFFAOYSA-N 433.442 4.082 5 20 IIBD COC[C@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 774049992 LMFANQZQNVGISD-AWEZNQCLSA-N 430.205 4.145 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCc1csc(Cc2ccccc2)n1 781736258 GUDZVYYMHUGMES-UHFFFAOYSA-N 427.438 4.226 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN[C@@H](C)c2ccc3c(c2)CC(=O)N3C)cc1OC 782054073 WNHPHKIKLQBUEG-HOTGVXAUSA-N 441.528 4.398 5 20 IIBD Cc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2Br)c1C(=O)N1CCCC1 782122636 IEAQSIUTRFTBQU-UHFFFAOYSA-N 432.274 4.154 5 20 IIBD O=[N+]([O-])c1ccc2cnn(Cc3nc(-c4ccc(-n5cc(Cl)cn5)c(F)c4)no3)c2c1 784212596 AWRMSGYRISIEMG-UHFFFAOYSA-N 439.794 4.021 5 20 IIBD O=C(OCc1ncc(Br)s1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 785030156 OMCJJBBWPYJJBF-UHFFFAOYSA-N 426.273 4.294 5 20 IIBD Cn1c(COC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)nnc1-c1ccc(F)cc1 789708433 ANZFYOWTZRRVFX-UHFFFAOYSA-N 439.428 4.010 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC(C(=O)c2cc(F)ccc2F)CC1 790267455 SCKLCIDDFZAYCR-UHFFFAOYSA-N 438.814 4.412 5 20 IIBD Cc1nc(C(F)(F)F)ccc1C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791173255 DPSBALWZYIQQBZ-UHFFFAOYSA-N 444.207 4.278 5 20 IIBD CC[C@@H](OC1CCCCC1)C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791246715 YDVDITKAVRHGSW-GOSISDBHSA-N 425.323 4.370 5 20 IIBD CN(C)c1cc(F)c(C(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)cc1[N+](=O)[O-] 791385377 MHXUPGZOPKSFOQ-HXUWFJFHSA-N 443.500 4.237 5 20 IIBD O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1CN1CCC(c2ccccc2)CC1 795400355 JITLHRXBTORSCE-UHFFFAOYSA-N 430.302 4.150 5 20 IIBD CC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC)CC[C@H]1NC(=O)OC(C)(C)C 801917353 ZZYDNOHCDOQRDA-CRAIPNDOSA-N 444.536 4.003 5 20 IIBD O=C(NC1CCCCC1)OC[C@H]1CCCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 805829830 RLLDTGFZPMFXSC-LJQANCHMSA-N 443.504 4.058 5 20 IIBD COc1cc2ccncc2cc1OS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 809833715 XHGNDNHEDAVZDC-UHFFFAOYSA-N 429.237 4.226 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 810206613 TYTCXGGQTJLWEH-KRWDZBQOSA-N 432.521 4.404 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(-c2nc(-c3ccoc3C)no2)cc1 810320163 SPDHYEJPGHPLSB-UHFFFAOYSA-N 441.421 4.289 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2c(F)cc(C(F)(F)F)cc2F)cccc1[N+](=O)[O-] 811416756 PBXIKDWVWMLHLX-SECBINFHSA-N 432.301 4.384 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3ncc(C(C)(C)O)s3)cc2[N+](=O)[O-])n1 811617084 ZBDFNQPTOFZYNL-UHFFFAOYSA-N 436.540 4.447 5 20 IIBD O=[N+]([O-])c1ccc2cnn(Cc3nc(-c4ccc5nc(-c6cscn6)[nH]c5c4)no3)c2c1 812820454 TUQCGQYNKMFUDW-UHFFFAOYSA-N 444.436 4.043 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 815495915 RGDQMWQGQRIPTD-LBPRGKRZSA-N 445.438 4.379 5 20 IIBD Cc1nn(C)c(C)c1C(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 821795436 ZOEKOAMKPDIEBM-UHFFFAOYSA-N 428.832 4.070 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC=C(c2c[nH]c3ncccc23)CC1 840405644 RWTYUPMNTBIUDY-CYBMUJFWSA-N 425.876 4.241 5 20 IIBD COc1cc(-c2noc(-c3cc(-c4ccc([N+](=O)[O-])cc4)[nH]n3)n2)cc(Cl)c1OC 904404440 GJVZNEWLZOERTL-UHFFFAOYSA-N 427.804 4.373 5 20 IIBD CC(C)OCc1ccccc1CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] 913410994 YFYKHICGMFROAJ-UHFFFAOYSA-N 432.420 4.425 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N(C)CC(=O)Nc2cccc(Cl)c2)CC1 915196289 ZZVXILZPRHGOKF-UHFFFAOYSA-N 444.919 4.195 5 20 IIBD O=C(c1cc(-c2ccco2)nc2ccccc12)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 916071088 OGKUQPDKZOQDKH-UHFFFAOYSA-N 428.448 4.365 5 20 IIBD O=C(OCC(=O)N1CCC(C(=O)N2CCCC2)CC1)c1c2ccccc2cc2ccccc12 918868193 PXBPXZPIARXEEH-UHFFFAOYSA-N 444.531 4.011 5 20 IIBD O=C(OCC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)c1csc([N+](=O)[O-])c1 919371925 TZKIGUKGHALJTP-IBGZPJMESA-N 428.491 4.049 5 20 IIBD COc1cccc([C@@H](C)C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)c1 919850160 RFMKDDMNHYMNQJ-XLIONFOSSA-N 440.496 4.335 5 20 IIBD C[C@@H](CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)N(C)C(=O)OC(C)(C)C 1116048678 UWGKYOAAGMZMCX-ZDUSSCGKSA-N 434.518 4.094 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(F)c(NC(=O)OC(C)(C)C)c1 1251792862 CQEMBNJLCSCZKL-UHFFFAOYSA-N 439.465 4.444 5 20 IIBD O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C/c1cccc(OCc2cccc(C(=O)O)c2)c1 1318372875 OHAZAONSLGBUQR-CIAFOILYSA-N 444.399 4.217 5 20 IIBD O=C(COC(=O)c1ccc(Oc2ccc(Cl)cn2)cc1)Nc1cc([N+](=O)[O-])ccc1F 1318423959 WOWCAVKRMLPRIK-UHFFFAOYSA-N 445.790 4.370 5 20 IIBD C[C@H](CC(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)c1ccccc1C(F)(F)F 1318828804 QTSNPNLXKUFEFI-MRXNPFEDSA-N 435.446 4.452 5 20 IIBD C[C@@H](CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1319258881 SOOBOGWWNIHKDQ-FUHWJXTLSA-N 431.533 4.153 5 20 IIBD CS(=O)(=O)Cc1ccc(CNCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1 1319862753 IFPXGHWGBDICKJ-UHFFFAOYSA-N 434.901 4.343 5 20 IIBD O=C(CCc1ccccc1)N1CCCN(Cc2ccc([N+](=O)[O-])cc2Br)CC1 1320713561 XDCJVAMNXFTNHQ-UHFFFAOYSA-N 446.345 4.024 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)OC[C@@H]1CCC(=O)N(C)[C@H]1c1cccc(Cl)c1 1343293442 XXGLLADWQSAVCK-XOBRGWDASA-N 431.876 4.056 5 20 IIBD O=c1c2ccccc2n(Cc2nnc(COc3ccccc3[N+](=O)[O-])o2)c2ccccc12 1345518163 CDZRSXOHZQTELN-UHFFFAOYSA-N 428.404 4.073 5 20 IIBD C[C@H]1C[C@]1(C)C(=O)Nc1ccc(C2(NC(=O)Cc3cc([N+](=O)[O-])ccc3F)CCC2)cc1 1790420348 JKGHYYXTOVKEPC-WNSKOXEYSA-N 439.487 4.457 5 20 IIBD C/C=C/C=C\C(=O)Nc1ccc(C2(NC(=O)c3cc([N+](=O)[O-])cc4c3OCC4)CCC2)cc1 1791240915 JJPJTRPBUCJAMQ-ZPYFUIHZSA-N 447.491 4.410 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1)c1ccccc1Cl 1820423102 PQDMDEQJUGDILG-HNNXBMFYSA-N 443.847 4.184 5 20 IIBD O=C(c1ccccc1)N1CCC([C@@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1823679402 GCHGSWUKRJQFMM-QHCPKHFHSA-N 435.524 4.071 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccsc2)CC1 1827101119 DQSPBVXTTSHHPD-SFHVURJKSA-N 445.541 4.115 5 20 IIBD CCC[C@H]1CC[C@H](C(=O)N2CC3(CCCN3C(=O)c3cccc(F)c3[N+](=O)[O-])C2)CC1 1845406450 CILAMGVCSQGBTC-QAQDUYKDSA-N 431.508 4.157 5 20 IIBD O=[N+]([O-])c1ccc(Sc2c(Cl)cccc2Cl)c(S(=O)(=O)N2CCOCC2)c1 15173076 NIGVURHJSKLGAO-UHFFFAOYSA-N 449.337 4.074 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 19160969 OEHZIGNUCJLTAE-UHFFFAOYSA-N 431.514 4.109 5 20 IIBD C[C@@H](OC(=O)Cc1csc(-c2ccccc2Cl)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 26674908 LSFBGOZHWBEWJR-GFCCVEGCSA-N 445.884 4.485 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)cc1C 57755572 LNQBCGVDHCXNLG-KRWDZBQOSA-N 441.509 4.225 5 20 IIBD Nc1c(C(=O)Nc2cccc(COCCOc3ccccc3)c2)cc(F)cc1[N+](=O)[O-] 58479293 UAYHAMYUGYTTGC-UHFFFAOYSA-N 425.416 4.164 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)c1C 107508889 IGVKTVUEGAGLID-QGZVFWFLSA-N 441.509 4.225 5 20 IIBD Cc1nn(CCC(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)c(C)c1[N+](=O)[O-] 164086444 OELNRHOYZPLTBG-UHFFFAOYSA-N 437.428 4.162 5 20 IIBD O=C(Cn1cnc([N+](=O)[O-])n1)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 221810845 NDFWNQYSVXZXSJ-WLIHBRIUSA-N 442.479 4.010 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(CNc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)cc2)C[C@H](C)O1 301458995 YCKPKBQGRMSIMQ-KBPBESRZSA-N 437.418 4.475 5 20 IIBD O=[N+]([O-])c1cc2c(O)ncnc2cc1N1CCN(C2c3ccccc3-c3ccccc32)CC1 301778202 QBIZSYUKKDIXDS-UHFFFAOYSA-N 439.475 4.136 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2ccc(Br)cc2Cl)s1 301944372 ZHPQZFGKLFYWCZ-UHFFFAOYSA-N 425.713 4.088 5 20 IIBD COc1ccc2c(c1)nc(CNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])n2C 302264190 QLLJCPHUIGWVRG-UHFFFAOYSA-N 425.323 4.029 5 20 IIBD COc1cc(CNC[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)c([N+](=O)[O-])cc1O 426696004 QDGRTNVCBNXWLP-HXUWFJFHSA-N 436.464 4.009 5 20 IIBD CC(C)(NCC(=O)Nc1ccc(Br)cc1Cl)c1ccccc1[N+](=O)[O-] 429253057 HHXFQKMQVSIFCA-UHFFFAOYSA-N 426.698 4.474 5 20 IIBD CC(C)(NCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)c1ccccc1[N+](=O)[O-] 429261461 QHLFRMPFDIWCIT-GOSISDBHSA-N 438.509 4.452 5 20 IIBD CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1ccc(S(C)(=O)=O)c(Cl)c1 429413024 RUOJWZWGLYIMKD-AWEZNQCLSA-N 428.963 4.312 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCc2sccc2[C@@H]1c1cccs1 429820855 ZHXUPEOGLQRHDR-GOSISDBHSA-N 427.507 4.139 5 20 IIBD O=C(NCc1nccn1CCCc1ccccc1)c1ccc([N+](=O)[O-])cc1Br 434375453 VZLQZCOSVWFKDL-UHFFFAOYSA-N 443.301 4.117 5 20 IIBD COc1cccc(C(=O)Nc2ccc(I)cc2Cl)c1[N+](=O)[O-] 435540728 DDGDHOVUKCPBAV-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccccc2-c2ccccc2C(=O)OC)c(C)c([N+](=O)[O-])c1 435967210 NGRINCJBYDODMZ-UHFFFAOYSA-N 448.431 4.396 5 20 IIBD C[C@H](COc1cccc(F)c1)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436143795 YAFAEINECZYHSP-GFCCVEGCSA-N 426.394 4.296 5 20 IIBD C[C@H](CO[C@@H]1CCOC1)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 440857465 FUSNRMGHOKWVAI-CZUORRHYSA-N 436.917 4.323 5 20 IIBD CC[C@H](Cc1ccccc1Br)NC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 445214978 MTAPUAMEDMJXQC-CYBMUJFWSA-N 446.305 4.054 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(C3=NN(c4ccccc4)[C@H](c4ccccc4)C3)n2)n1C 445620910 MRWUAZSRVZDLFG-SFHVURJKSA-N 429.440 4.042 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 445748188 CEFYGCWGYHEFGN-GOSISDBHSA-N 449.301 4.099 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]1c1cccc2c1OCCO2 445789176 GMLNCICPTUIAQS-KRWDZBQOSA-N 447.285 4.035 5 20 IIBD Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1 445933777 ZVEPQXSAIHGKQD-QUCCMNQESA-N 433.302 4.245 5 20 IIBD COc1ccc(CSCC(=O)N2C[C@@H](c3ccccc3C)OC[C@H]2C)cc1[N+](=O)[O-] 460389081 RMBNLXOJDJPRQK-IERDGZPVSA-N 430.526 4.134 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 462932628 TZUBRIFTOJWOGI-KRWDZBQOSA-N 442.491 4.115 5 20 IIBD CC(C)OC(=O)[C@@H](C)CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 464198777 JCBRFTQDTYLOJJ-AWEZNQCLSA-N 433.892 4.178 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c2ncccc12 464412737 WPROAOUITRAPGX-UHFFFAOYSA-N 447.885 4.116 5 20 IIBD COc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)c2ccccc2Cl)c(OC)c1 464550936 QLUWKPJSHPFXFZ-HXUWFJFHSA-N 429.860 4.123 5 20 IIBD CC(C)(C)c1nc2ccc(NC(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)cc2s1 464853380 CXDPFYHAVMSQQC-UHFFFAOYSA-N 426.454 4.049 5 20 IIBD O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCC[C@@H](Cc2csc3ccccc23)C1 466726789 FAQFAFNTJJZKNN-INIZCTEOSA-N 447.520 4.485 5 20 IIBD Cc1ccc(C(=O)Nc2ccccc2)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 466964595 LGBTVLOBTMIBFS-UHFFFAOYSA-N 431.495 4.326 5 20 IIBD CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 470734952 DGCYLILQGDZXBO-UHFFFAOYSA-N 435.358 4.018 5 20 IIBD CCCOc1cc(F)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1I 470883041 HIRJIUZNUCEKPX-UHFFFAOYSA-N 444.200 4.380 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 471388332 BRNIUYSGZLNARQ-KDURUIRLSA-N 425.554 4.299 5 20 IIBD CCc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2OCC(F)(F)F)cc1[N+](=O)[O-] 471898953 WYPHSZWLIATCSJ-UHFFFAOYSA-N 426.347 4.137 5 20 IIBD CC[C@@H](NC(=O)c1ccc(=O)n(Cc2csc(C(C)C)n2)c1)c1cccc([N+](=O)[O-])c1 472308493 FELQGZHCEFDTSY-LJQANCHMSA-N 440.525 4.266 5 20 IIBD CC(C)c1ccc(C(=O)Nc2cccc(C[S@@](=O)C3CCOCC3)c2)cc1[N+](=O)[O-] 473587654 DYQPJSNBLOZDHE-SSEXGKCCSA-N 430.526 4.398 5 20 IIBD C[C@@H](NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)c1ncnn1C 475782187 QKHYVMABXBXIND-VQCBNXJZSA-N 448.508 4.141 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N(CCO)CC(F)F 477407644 RQWDDGMKCICMHU-PTNGSMBKSA-N 447.463 4.221 5 20 IIBD COC(=O)[C@H](C)NC(=O)c1ccc(N[C@@H](C)c2oc3ccccc3c2C)c([N+](=O)[O-])c1 477713674 DDTWQLKLWVFBSJ-KBPBESRZSA-N 425.441 4.114 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccs1)N1CCOCC1 478965946 YXLUJHKUIHBDAN-GOSISDBHSA-N 449.598 4.208 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCN(Cc2cccs2)CC1 479560478 XZXGUFRAELSDOT-UHFFFAOYSA-N 436.537 4.226 5 20 IIBD C[C@@H](NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1)c1ccc([N+](=O)[O-])cc1 481324308 RCUNGIANTFPSIN-GOSISDBHSA-N 435.503 4.306 5 20 IIBD COc1ccc(-c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3OC)nc2)cc1Cl 481850498 YEPMAQNMANUYDJ-UHFFFAOYSA-N 449.872 4.128 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(NC(=O)c2ccco2)cc1 481950275 CECLHZUYMVZHIR-UHFFFAOYSA-N 425.466 4.482 5 20 IIBD COc1cc(C(=O)NC[C@@H]2CCC[C@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OCc1cscn1 482682850 KUYFHFUTVAYBPM-KKUMJFAQSA-N 433.530 4.441 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C)cc2OC[C@@H]2CCCO2)cc1SC 483376779 OOEYELVSSQCBLC-AWEZNQCLSA-N 432.498 4.444 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(NCCOc3ccccc3)CC2)nc1-c1ccc(F)cc1 485398166 HFAZJHAUCPTCAJ-UHFFFAOYSA-N 436.487 4.433 5 20 IIBD COC(=O)c1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c(OC)c1 485715748 ISVQEJPIVMMORC-UHFFFAOYSA-N 436.420 4.221 5 20 IIBD CC[C@H](NC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)c1ncc(-c2ccccc2)[nH]1 489591317 DLFARLLNPKVJBY-KRWDZBQOSA-N 440.525 4.494 5 20 IIBD Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 490484720 BKYFATCGDYPTLQ-UHFFFAOYSA-N 446.920 4.064 5 20 IIBD CN(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C1CCN(Cc2ccccc2)CC1 498482920 CWRKSFDZYMUCOH-UHFFFAOYSA-N 430.936 4.097 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 498882599 ZGXCTQKURMXLQX-HNNXBMFYSA-N 429.546 4.358 5 20 IIBD COc1ccc(C(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1[N+](=O)[O-] 499537883 JZYFFWLDAWWRCZ-IBGZPJMESA-N 434.427 4.264 5 20 IIBD C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 500465211 QOPKMSWIHSACFB-HNNXBMFYSA-N 437.477 4.354 5 20 IIBD O=C(NCc1ccc(N2CCc3ccccc3C2)nc1)c1cc2cc([N+](=O)[O-])ccc2o1 501366617 YEJUPUFZFORTBI-UHFFFAOYSA-N 428.448 4.229 5 20 IIBD CCOc1ccc([C@H](NC(=O)c2c([N+](=O)[O-])c(C)nn2C)c2cccc(Cl)c2)cc1 502355536 QFMYCNVHVSQAFC-SFHVURJKSA-N 428.876 4.208 5 20 IIBD CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 502373127 DBMABMFQORPBCX-PMACEKPBSA-N 438.509 4.222 5 20 IIBD CC(=O)Nc1cccc(-n2c(SCc3c(F)cccc3[N+](=O)[O-])nnc2C2CC2)c1 504519249 SMXDNKBOEBXSML-UHFFFAOYSA-N 427.461 4.443 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCO[C@H](c2ccccc2Cl)C1 505129642 JNSBCPVYLODAEH-QHCPKHFHSA-N 432.907 4.408 5 20 IIBD Cc1ccc(C)c(OCc2nnc(Sc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)o2)c1 506809220 RJZAMQLGNZGMRK-UHFFFAOYSA-N 426.454 4.210 5 20 IIBD CCc1nc(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)sc1C 509544438 VSLQMUORMHTMBR-UHFFFAOYSA-N 431.255 4.087 5 20 IIBD C[C@@H]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3I)sc2C1 511498750 PCXQIVRKEORPJJ-MRVPVSSYSA-N 443.266 4.033 5 20 IIBD Cc1ccc(Sc2ccc(CN3CCC(N4CCNC4=O)CC3)cc2[N+](=O)[O-])cc1 511764200 WURPKYFJYQCHII-UHFFFAOYSA-N 426.542 4.044 5 20 IIBD O=C(NCCc1nc([C@@H](F)c2ccc(C(F)(F)F)cc2)no1)c1ccc([N+](=O)[O-])cc1 512063784 XOGUVWUUCMITDR-INIZCTEOSA-N 438.337 4.028 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc(Br)cc(Br)c1 513004075 MJBOAYHYFMLVPL-UHFFFAOYSA-N 442.107 4.435 5 20 IIBD COc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cc1F 516117008 UQIDZGRARHUBOT-UHFFFAOYSA-N 437.427 4.292 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCCc2cc(Br)ccc21 516343683 OKUOALPCGRTHGE-UHFFFAOYSA-N 431.695 4.152 5 20 IIBD C[C@@H](NC(=O)C[C@H](NC(N)=O)c1cccc(Oc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 516523070 RHVOAICSBOKPIH-ZHRRBRCNSA-N 448.479 4.364 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1csc(-c2ccoc2)n1)c1ccccc1[N+](=O)[O-] 517432979 FECSPRBWMJSZSR-HNNXBMFYSA-N 429.454 4.124 5 20 IIBD C[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC(C)(C)O1 519954162 QCXXZAJZVBCNSB-CYBMUJFWSA-N 431.876 4.140 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 520073784 QBSQKVISZMEVFI-OAHLLOKOSA-N 431.539 4.335 5 20 IIBD Cc1ccc([C@H](CC(=O)OC(C)C)NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 523484145 RQRBGFJMTZEIED-SFHVURJKSA-N 449.301 4.479 5 20 IIBD CC(C)N(C)S(=O)(=O)c1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 524680790 YLNMYKMSRKPSTD-UHFFFAOYSA-N 443.525 4.174 5 20 IIBD COc1ccc(CNC[C@H]2CCCn3cc(C)nc32)cc1OCc1ccc([N+](=O)[O-])cc1 525696362 KCDBIPOKPMFBED-HXUWFJFHSA-N 436.512 4.355 5 20 IIBD O=C(CCc1ccccc1)N1CC[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 532302457 PKRILUPIJUJJFC-IBGZPJMESA-N 436.537 4.042 5 20 IIBD COc1cc(CNc2cccc(-n3nnnc3C)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 532725401 QJKDRLJIQKAFMR-UHFFFAOYSA-N 446.467 4.079 5 20 IIBD COc1ccccc1CN(C)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 532761055 UBLNVVZGTPUDDF-AWEZNQCLSA-N 426.498 4.186 5 20 IIBD NC(=O)Cc1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1 532890388 JQOMEFONEXAVHZ-UHFFFAOYSA-N 430.258 4.257 5 20 IIBD O=C(CN1CCN(c2cccc([N+](=O)[O-])c2)CC1)Nc1c(Cl)cc(Cl)cc1Cl 532921010 FFRSWZMKOXOMAN-UHFFFAOYSA-N 443.718 4.316 5 20 IIBD COc1cc(CN(C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 533220949 VDEXXEIJRUJUKF-UHFFFAOYSA-N 449.507 4.277 5 20 IIBD CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H](c1cccc(F)c1)c1cnn(C)c1 533311951 MIOPWTSSPFRACG-HSZRJFAPSA-N 435.459 4.386 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C)c2ncccc12 534212948 VKSLXBRKWVHHQP-UHFFFAOYSA-N 425.466 4.359 5 20 IIBD CC[C@H]1c2ccsc2CCN1C(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)OC 534971828 IKVNWSGZMLDVPR-INIZCTEOSA-N 434.539 4.461 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(c2cccc(Cl)c2)CC1 535664455 AASLLVZAYGAQMW-UHFFFAOYSA-N 448.928 4.365 5 20 IIBD COc1ccc(NC(=O)CN[C@H](COc2ccccc2F)c2ccccc2)c([N+](=O)[O-])c1 537065304 IODJWIPFEHKAOE-HXUWFJFHSA-N 439.443 4.091 5 20 IIBD COc1cc(CNC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])cc1OC 537360941 MPNIZULBBCSXHD-LHSJRXKWSA-N 437.899 4.187 5 20 IIBD O=C(Nc1cncc(Cl)c1Cl)c1cc(I)cc([N+](=O)[O-])c1 537589172 UMPIHTMNOIZOAQ-UHFFFAOYSA-N 438.008 4.154 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O 540391035 QLPWSLZVHYGYNG-UHFFFAOYSA-N 439.493 4.354 5 20 IIBD CC(=O)c1cccc(O[C@H](C)C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)c1 540451100 GWUMKHMGWWGGNG-CQSZACIVSA-N 425.466 4.351 5 20 IIBD CCn1c(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)nc2cc(C)ccc21 540560602 NXOBHSXUSSBPFF-UHFFFAOYSA-N 432.484 4.387 5 20 IIBD O=C(NC1CCC(c2ccc(F)cc2)CC1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 541003341 IVLWKPVKGYIVPI-VMWRSERWSA-N 445.516 4.243 5 20 IIBD C[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C(c1ccccc1)c1ccccc1 542555993 IGHPHVFLEOKTMT-INIZCTEOSA-N 433.464 4.072 5 20 IIBD CCOc1cc(NC(=O)c2cnc(OCC3CC3)c(Cl)c2)c([N+](=O)[O-])cc1OCC 543122931 ZCLZYVIAPGHQQV-UHFFFAOYSA-N 435.864 4.482 5 20 IIBD COc1ccc(Cl)cc1N1C[C@H](c2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)CC1=O 545146148 WFPWCKCPZIFTDA-CQSZACIVSA-N 442.859 4.060 5 20 IIBD C[C@@H](c1ccc(Br)cc1)c1noc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)n1 545839022 KZVCBZIMPYUPDL-NSHDSACASA-N 441.245 4.140 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cn2cc(Br)cc(C)c2n1 546113729 AHKSDZKBJXTXAB-UHFFFAOYSA-N 449.330 4.355 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1Cc1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 547201795 ZPHWPALBASMHTR-UHFFFAOYSA-N 434.378 4.016 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Br)c(C(=O)OC)c2C)c1 549267916 DUWKZHIMHLQUGE-UHFFFAOYSA-N 437.246 4.103 5 20 IIBD CCN(Cc1ccccc1)C(=O)Cc1noc(-c2cc([N+](=O)[O-])ccc2C(F)(F)F)n1 556327530 ZEWOBHYRQAITEF-UHFFFAOYSA-N 434.374 4.255 5 20 IIBD CC(C)N(C)CC1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 565575445 IINXMUNBKMCHQW-UHFFFAOYSA-N 425.529 4.366 5 20 IIBD CCNc1ccc(C(=O)NCc2cccc(-c3nc(CC(F)(F)F)no3)c2)cc1[N+](=O)[O-] 571456924 OWUYTXVDSDTRGA-UHFFFAOYSA-N 449.389 4.111 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN(c2ccccc2)C1 579265965 NWBHQUXEDCBSSQ-HNNXBMFYSA-N 432.318 4.312 5 20 IIBD COCc1nc(Cc2noc(-c3ccc(N4C[C@H](C)C[C@@H](C)C4)c([N+](=O)[O-])c3)n2)cs1 582812205 ALJWQZBKWBUHEQ-ZIAGYGMSSA-N 443.529 4.321 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccncc1OC[C@@H]1CCOC1 582985990 ZSUYZNAPDMSNEE-MRXNPFEDSA-N 445.541 4.083 5 20 IIBD COc1ccc(NC(=O)N[C@](C)(C(=O)O)c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 583850167 DXNHYRRNDKMIKO-KRWDZBQOSA-N 428.228 4.032 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2ccn(Cc3ccccc3)n2)[nH]n1 584801436 PWAXUJMYWWHTPM-UHFFFAOYSA-N 448.508 4.594 5 20 IIBD O=[N+]([O-])c1cc2c(N3CCC(Oc4cccc(Br)c4)CC3)ncnc2s1 588017353 RLIABMCPYSCTQC-UHFFFAOYSA-N 435.303 4.410 5 20 IIBD C[C@@H]1CN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCC1(F)F 589538759 AAEMBSDQHQGFLO-MRXNPFEDSA-N 440.450 4.494 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N(CC)Cc2cccc(Br)c2)cc1OC 603524858 ZJBFZIMXASLLTC-UHFFFAOYSA-N 437.290 4.427 5 20 IIBD Cc1c(NC(=O)C(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)cccc1[N+](=O)[O-] 603697472 VDJGRFKAUVDMSU-LJQANCHMSA-N 442.475 4.271 5 20 IIBD COc1ccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1OCc1ccncc1 603738193 CPPBRMMOTMWQTD-UHFFFAOYSA-N 445.435 4.015 5 20 IIBD O=C(NCc1cccc(N2CCCC2=O)c1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 603742701 COYHLPSSDSHRPC-UHFFFAOYSA-N 431.448 4.444 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604028682 FTZUTWASBNWSDX-NXEZZACHSA-N 434.358 4.091 5 20 IIBD CCCCOc1ccc(NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c(C)c1 604230887 PJJABDRXKLLLMH-UHFFFAOYSA-N 446.529 4.134 5 20 IIBD COc1cc(OCC(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)ccc1[N+](=O)[O-] 604457193 SAJBLIIHBJTNIO-FQEVSTJZSA-N 449.301 4.402 5 20 IIBD COc1ccc(CNC(=O)c2cc(-c3ccco3)nc3onc(C(C)C)c23)cc1[N+](=O)[O-] 609020360 RHTJMYYGOUSFHO-UHFFFAOYSA-N 436.424 4.453 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(COCc3ccccc3)cc2)c([N+](=O)[O-])c1 610194618 QIEVMLCIULACLS-UHFFFAOYSA-N 428.466 4.121 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 610605757 BWIYTFQSWYJICV-DTORHVGOSA-N 435.118 4.170 5 20 IIBD Cc1ccc2nc([C@H]3CCCN3c3ccc(C(=O)c4nccn4C)cc3[N+](=O)[O-])[nH]c2c1 610709044 CFBNIBPIRKBGBA-LJQANCHMSA-N 430.468 4.086 5 20 IIBD O=C(NC1CCN([C@H]2CCCC[C@@H]2O)CC1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611213440 CKVRPWWCBORULV-SFTDATJTSA-N 447.601 4.127 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)N1CC[C@H](n2cncn2)C1 614439663 VEIXQQSLMRTYAZ-HNNXBMFYSA-N 429.889 4.078 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCC(OCc3ccc(F)cc3)CC2)c(C)c([N+](=O)[O-])c1 617019892 JPZPGHHLZCRYOM-UHFFFAOYSA-N 445.447 4.042 5 20 IIBD Cc1c(C(=O)Nc2cccc(C(=O)Nc3ccccn3)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 725717330 KBIRHQBBEZHZHA-UHFFFAOYSA-N 435.396 4.019 5 20 IIBD CC(=O)[C@@H]1CC(C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)=NN1c1ccccc1 727054761 ICTOOZUTAXXGHV-FQEVSTJZSA-N 449.492 4.189 5 20 IIBD COc1cccc2cc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4C(F)(F)F)CC3)oc12 727328789 FVFNWUVKYOTBKD-UHFFFAOYSA-N 449.385 4.331 5 20 IIBD CCCN1CCN(c2ccc(NC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])cc2Cl)CC1 727710367 JEVQRQDVDRNGNF-UHFFFAOYSA-N 438.862 4.311 5 20 IIBD COC(=O)c1cc(C(=O)Nc2cccc(CC[C@H](O)c3ccccc3)c2)cc([N+](=O)[O-])c1 727760373 ICTYHAWFYOODMC-QFIPXVFZSA-N 434.448 4.300 5 20 IIBD CCc1nc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)nn1-c1c(Cl)cccc1Cl 728341365 WSHPFYGOYWKTSQ-UHFFFAOYSA-N 449.250 4.084 5 20 IIBD O=C(COC(=O)CCc1cc(Br)cs1)Nc1cc([N+](=O)[O-])ccc1Cl 730648008 QJOWIPPYLMUFFK-UHFFFAOYSA-N 447.694 4.187 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)NCc3nnc(S)n3C3CC3)cc2[N+](=O)[O-])cc1 731227956 GLARFZLCUSVFNM-UHFFFAOYSA-N 441.538 4.200 5 20 IIBD O=C(COC(=O)[C@H]1C[C@H]1c1c(F)cccc1F)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 734917062 LRQYCGHFKNDXDB-MNOVXSKESA-N 444.312 4.177 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(CN2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)c1 735492683 SIVAEPJUCRJLKN-UHFFFAOYSA-N 448.310 4.269 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c(Br)c1 738404463 WEYQHJLNEFNJHM-UHFFFAOYSA-N 444.156 4.283 5 20 IIBD CCOC(=O)C1=C(C)N(Cc2cccs2)C(=O)N[C@@H]1c1cc(Cl)ccc1[N+](=O)[O-] 739668029 YLFLOMCVMKPRTF-QGZVFWFLSA-N 435.889 4.413 5 20 IIBD C[C@H]1CCc2ccccc2N1C(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1Br 740422985 VEHIOUIQJOILRE-QWHCGFSZSA-N 447.285 4.271 5 20 IIBD O=[N+]([O-])c1ccc(F)cc1OS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 742267482 XMVVCOYOCNNIOH-UHFFFAOYSA-N 444.156 4.283 5 20 IIBD Cc1ccc(S(=O)(=O)N2c3ccccc3N(C(=O)OC(C)(C)C)C[C@H]2C)cc1[N+](=O)[O-] 743345998 NLVPKJSKACYVCA-OAHLLOKOSA-N 447.513 4.242 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@H](C)CCOc3ccccc3)CC2)ccc1[N+](=O)[O-] 745950801 HYILLCZYJXFFTO-QGZVFWFLSA-N 428.485 4.221 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 746262621 IZYSCAOGYKIAFK-KBXCAEBGSA-N 437.265 4.225 5 20 IIBD Cc1ncsc1CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 748096802 XVDVSFHNOFLVKZ-UHFFFAOYSA-N 437.930 4.451 5 20 IIBD Cc1c(C(=O)O[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748948469 CBZLFJOTKSCTRC-CHWSQXEVSA-N 449.847 4.196 5 20 IIBD C[C@H](Nc1ccc(C(=O)OCc2cn(-c3ccccc3)nn2)cc1[N+](=O)[O-])c1ccccn1 750891630 XUIWKNFCUNYTKZ-INIZCTEOSA-N 444.451 4.101 5 20 IIBD CCc1ccc([C@H](c2cccnc2)N(CC)S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 751124703 AJKZIUWBYLAHJA-OAQYLSRUSA-N 443.500 4.492 5 20 IIBD O=C(CCNc1ncc(C(F)(F)F)cc1Cl)OCc1nc2cc([N+](=O)[O-])ccc2o1 751668779 RXFGJFMARJBDHG-UHFFFAOYSA-N 444.753 4.349 5 20 IIBD C[C@H](c1nn(CN2CCc3c2cccc3[N+](=O)[O-])c(=S)n1-c1ccc(F)cc1)N(C)C 754776288 JLZYRPZGUIMTCN-CQSZACIVSA-N 442.520 4.093 5 20 IIBD COc1ccc(OC(F)F)c(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 756985355 SZTFDKHIHULNHN-UHFFFAOYSA-N 435.427 4.125 5 20 IIBD O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1cccc([N+](=O)[O-])c1Br 758104865 OFUCVUVFJKUFME-UHFFFAOYSA-N 438.241 4.319 5 20 IIBD O=C(CSCc1coc(-c2ccccc2)n1)O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 759950471 PVEXIVOLLDLHNQ-ROUUACIJSA-N 442.497 4.407 5 20 IIBD CC(C)(C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1F 762467615 RYUBDMNMESYAFA-UHFFFAOYSA-N 426.198 4.321 5 20 IIBD CCOc1ccc(-c2noc(COC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)n2)cc1 762997912 IDLAUKKAEKCVAE-UHFFFAOYSA-N 429.404 4.204 5 20 IIBD O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CNC1(c2cccc(C(F)(F)F)c2)CCC1 764136456 YURSZCJUOLTJCG-UHFFFAOYSA-N 444.413 4.464 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 764150346 RHUFPJNNZJJHLB-UHFFFAOYSA-N 449.216 4.278 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 764221072 KLPQQBSNZHQBMH-UHFFFAOYSA-N 440.681 4.078 5 20 IIBD O=C([C@H](O)c1cc(Cl)cc(Cl)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 765117836 UYSHHVMTLZSFBH-GOSISDBHSA-N 425.268 4.005 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 766108870 JVZPOFVCIMXMLU-XUZZJYLKSA-N 448.567 4.322 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@H]2[C@@H](NC(=O)OC(C)(C)C)CCC[C@H]2C1 766243418 JHTZQFDWUXKWPR-BBWFWOEESA-N 432.521 4.369 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])OCCCSc1ccccc1Cl 767339376 HLJQFQZQKOKYOS-UHFFFAOYSA-N 443.308 4.357 5 20 IIBD Cc1c(O)nc(SCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])nc1-c1ccccc1 767432758 BPFYPMOJTWSHQY-UHFFFAOYSA-N 430.873 4.450 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2c(C)cnn2Cc2ccccc2F)cc1[N+](=O)[O-] 768884085 QCEGQNIHDHZZBW-UHFFFAOYSA-N 438.868 4.050 5 20 IIBD O=C(NCCn1cc([N+](=O)[O-])cn1)c1ccc(CSc2nc3ccccc3s2)cc1 769380875 DRACPYSDKGLNLD-UHFFFAOYSA-N 439.522 4.123 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N(Cc1ccccc1)C[C@@H](O)c1ccco1 771004494 IFKJWSCHXCEXFS-GOSISDBHSA-N 445.269 4.326 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(CS(=O)(=O)Cc2nn(-c3ccccc3)c3c2CCC3)c1 771590395 BKRAKJBYPQMHEQ-UHFFFAOYSA-N 431.901 4.038 5 20 IIBD Cc1cc(S(=O)(=O)N2CC=C(c3c(C)[nH]c4ccccc34)CC2)cc([N+](=O)[O-])c1F 771747243 STARYIBUQTYHSJ-UHFFFAOYSA-N 429.473 4.310 5 20 IIBD CCCCn1ncc(C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)c1C 772020179 XOFCLIOFEGHVJT-UHFFFAOYSA-N 426.477 4.001 5 20 IIBD C[C@H]1CN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C 774666655 JZUPPVXGGZZLIV-JTQLQIEISA-N 440.369 4.090 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c(OC)c1 775084363 CYWQGKSYLAFKKB-ZDUSSCGKSA-N 448.497 4.297 5 20 IIBD C[C@@H](NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1cccc(OC(F)(F)F)c1 775549550 XKISEGWXGVSDOB-GFCCVEGCSA-N 425.363 4.142 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Oc2cccc(Oc3cccnc3)c2)cc1[N+](=O)[O-] 777341565 NFNQPUJYFYTFKE-UHFFFAOYSA-N 449.448 4.281 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O 778800682 KYEVQVMJTRFGFR-UGSOOPFHSA-N 445.859 4.066 5 20 IIBD CN(C)C(=O)c1cccc(COC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 781257293 SUGGAILGCUJGOT-UHFFFAOYSA-N 436.414 4.018 5 20 IIBD O=S(=O)(c1ccc(NCc2c3ccccc3cc3ccccc23)nc1)N1CCOCC1 783638238 LKAITFRFMYZTGX-UHFFFAOYSA-N 433.533 4.021 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)C[C@H]21 784553220 DCAKVBFOJDMZLR-ATZDWAIDSA-N 431.533 4.024 5 20 IIBD C[C@@H](OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)no1 785675556 IOALXXOLBFTOIU-GFCCVEGCSA-N 439.815 4.402 5 20 IIBD COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 787466597 CEAHLLZNXDGZHM-LBPRGKRZSA-N 437.836 4.141 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)OCC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)c1F 787938476 HWTUKYXMJRRXCP-JTQLQIEISA-N 429.231 4.383 5 20 IIBD COc1ccc(OC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)cc1[N+](=O)[O-] 792121320 MVPBCMWYPUPMQC-UHFFFAOYSA-N 442.497 4.047 5 20 IIBD CCN(CC)C(=O)c1cccc(NC(=O)COc2cc(Cl)c(Cl)cc2[N+](=O)[O-])c1 794495484 QDHGFARLZRVPAL-UHFFFAOYSA-N 440.283 4.401 5 20 IIBD CCC(=O)c1ccc(Oc2cc([N+](=O)[O-])ccc2I)c([N+](=O)[O-])c1 795156050 AOCMNLBPAKNTOG-UHFFFAOYSA-N 442.165 4.493 5 20 IIBD C[C@H](OC(=O)c1sc(N2CCOCC2)nc1-c1ccccc1)c1ccccc1[N+](=O)[O-] 799563170 PUMRTJUCNCAIAN-HNNXBMFYSA-N 439.493 4.473 5 20 IIBD CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 799784982 FKFLHTXCTSPIBA-ZDUSSCGKSA-N 445.438 4.381 5 20 IIBD Cc1c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)cccc1[N+](=O)[O-] 800377403 SQDMIAQFWQGORD-RBUKOAKNSA-N 425.485 4.036 5 20 IIBD C[C@@]1(C2CC2)NC(=O)N(c2ccc(CNc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)cc2)C1=O 804701815 WPEXRCUJABUVII-FQEVSTJZSA-N 448.401 4.451 5 20 IIBD Cc1cc(=O)oc2cc(N(C)C(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc12 805356024 RDQCJKHNIDLVCI-UHFFFAOYSA-N 449.385 4.493 5 20 IIBD O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(CN2CCCC2=O)cc1 811218365 XGJRVOHHKHOBGS-UHFFFAOYSA-N 437.477 4.198 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)OCCC[C@H]1CCCCC1=O 813960955 UIMZQFDTYLTLIY-GFCCVEGCSA-N 445.253 4.204 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc([N+](=O)[O-])c1 814432608 RDUBVTVAEUPIIO-MSOLQXFVSA-N 431.533 4.403 5 20 IIBD CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F 814484852 NCMXXCXTCJXRAV-KBPBESRZSA-N 431.464 4.497 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O 815174248 ARAMXFWKTMCPBT-TYILLQQXSA-N 432.473 4.120 5 20 IIBD O=C(NOCc1ccc(F)cc1Br)c1cc([N+](=O)[O-])ccc1C(F)(F)F 816343533 IXRMFZSZPDQGQF-UHFFFAOYSA-N 437.143 4.377 5 20 IIBD CNc1ccc(C(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1[N+](=O)[O-] 856842613 SXZVWVWGBQZRGD-UHFFFAOYSA-N 445.519 4.425 5 20 IIBD CSc1ccc(C(=O)O[C@H](C(=O)Nc2cccc(C(C)=O)c2)C(C)C)cc1[N+](=O)[O-] 876684844 SQSBONQTFMMZLL-IBGZPJMESA-N 430.482 4.339 5 20 IIBD COc1cc(COC(=O)Cc2ccc(-n3cccc3)cc2)c([N+](=O)[O-])cc1OC(F)F 914975701 NPIUHALFHJBZBC-UHFFFAOYSA-N 432.379 4.281 5 20 IIBD C[C@H](OC(=O)c1cc(-c2ccccc2Cl)[nH]n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 914998927 QUAIXDXWQQJYJY-JTQLQIEISA-N 449.250 4.476 5 20 IIBD COc1cc([C@@H](C)NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)ccc1OC1CCCC1 916074632 PYLPLSXMRUZZJZ-OAHLLOKOSA-N 438.484 4.152 5 20 IIBD C[C@@H]1CN(Cc2ccccc2NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)C[C@@H](C)O1 916448470 OTWMDWPVQQWKPM-ZIAGYGMSSA-N 448.317 4.219 5 20 IIBD Cc1ccccc1-c1noc(COC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])n1 917259188 GBFKUTGYEYQIRE-UHFFFAOYSA-N 437.330 4.251 5 20 IIBD CCOC(=O)C1=C(c2ccc([N+](=O)[O-])cc2)N(CC2CC2)C(=O)N[C@H]1c1cccs1 918075875 LLUOARXIJMXZEE-SFHVURJKSA-N 427.482 4.107 5 20 IIBD CCOc1ccc([C@@H]2CCCN2C(=O)COC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 918863250 CINFDXNCWLIOSA-SFHVURJKSA-N 432.860 4.167 5 20 IIBD O=C(OCCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(Cn2cccn2)cc1 920144865 DHDDKIBTHDFBFJ-UHFFFAOYSA-N 435.358 4.094 5 20 IIBD Cc1cccc(CN2CCCC[C@H]2C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 1116095020 QCPTTYFZPBJECW-FQEVSTJZSA-N 445.903 4.093 5 20 IIBD COc1ccccc1C1(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CCC1 1116171404 SXDXQWHXDIAKTO-ZDUSSCGKSA-N 432.860 4.249 5 20 IIBD O=[N+]([O-])c1ccccc1-n1ccc(-c2nnc(-c3ccc(F)cc3Br)o2)n1 1257918165 MTZSIAKYJXQVHP-UHFFFAOYSA-N 430.193 4.399 5 20 IIBD CC(C)c1oc(-c2ccccc2)nc1C(=O)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 1317975671 QBEGXSJDWRBNSB-UHFFFAOYSA-N 449.872 4.145 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nnc(CCN2CCN(c3ccccc3)CC2)o1 1345702344 OGZVLORPYVYNNJ-QGZVFWFLSA-N 439.541 4.196 5 20 IIBD Cc1nc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccccc4[N+](=O)[O-])CCC3)cc2)co1 1787397615 OBSWHVAPDWMLTO-KPKJPENVSA-N 446.463 4.352 5 20 IIBD COc1ccc(CC(=O)NC2(c3ccc(NC(=O)CC4CC4)cc3)CCC2)c([N+](=O)[O-])c1 1787824402 UJANRWPYCXYQFJ-UHFFFAOYSA-N 437.496 4.080 5 20 IIBD Cc1nc(C(=O)NC2(c3ccc(NC(=O)Cc4ccc(C)c([N+](=O)[O-])c4)cc3)CCC2)co1 1790526018 IMBSYUNVXOLPBW-UHFFFAOYSA-N 448.479 4.190 5 20 IIBD Cc1ccccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)[nH]n1 1820471943 OQAIUNRATVZPGG-JARZOMNASA-N 449.467 4.239 5 20 IIBD O=C(c1cccc(F)c1[N+](=O)[O-])N1CCC([C@@H]2CCCCN2C(=O)c2cccs2)CC1 1825778860 GVIUXTKSEVDXQF-SFHVURJKSA-N 445.516 4.343 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c2cnn(C(C)C)c2n1 10206643 YTOYLAKJGZNWMI-LBPRGKRZSA-N 445.863 4.066 5 20 IIBD NC(=O)c1ccc(COC(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)c([N+](=O)[O-])c1 12714717 INNOQWIFCQSMDV-UHFFFAOYSA-N 436.386 4.268 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(NCc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 16738888 HSDHRFWTDNYHEW-UHFFFAOYSA-N 431.436 4.256 5 20 IIBD Cn1c(SCc2ccc(C(N)=O)cc2[N+](=O)[O-])nnc1-c1ccc(C(C)(C)C)cc1 16815039 HDKDZFURODTHGG-UHFFFAOYSA-N 425.514 4.079 5 20 IIBD Cc1c(C(=O)OCC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)cccc1[N+](=O)[O-] 18224177 PIWZMIKLFYOBAT-HXUWFJFHSA-N 428.441 4.166 5 20 IIBD CCOCCCN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 23994541 GJANAZULPBKKKQ-SFHVURJKSA-N 436.306 4.053 5 20 IIBD CC1CCN([C@@H](CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c2cccs2)CC1 31209187 IVHVWPHIXWAIEO-FQEVSTJZSA-N 439.541 4.045 5 20 IIBD C[C@H](OC(=O)/C=C\c1ccccc1F)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 33504472 RRRVQDDCTATQPM-XPSMFNQNSA-N 441.440 4.441 5 20 IIBD COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 64918483 ZXWOUCLRJSLKAK-UHFFFAOYSA-N 445.884 4.187 5 20 IIBD CC1CCN(Cc2ccc(NC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)cc2)CC1 65062287 SHHAWJWIMZWSLY-UHFFFAOYSA-N 433.512 4.480 5 20 IIBD Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)C2)cc1 97570401 QVOHXCDXEBOJND-OAHLLOKOSA-N 430.892 4.231 5 20 IIBD CSc1cc2c(cc1NC(=O)Cn1c3ccccc3c(=O)c3ccccc31)OCCO2 110115897 PTIHHLMOKKHOHR-UHFFFAOYSA-N 432.501 4.287 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccccc1I 217717139 JUFPVTFLSYKIKJ-UHFFFAOYSA-N 436.127 4.471 5 20 IIBD COc1ccc(CNCC(=O)Nc2ccc(F)cc2)cc1OCc1ccc([N+](=O)[O-])cc1 237326792 MBTIUJIDJJTLKH-UHFFFAOYSA-N 439.443 4.050 5 20 IIBD Cc1c(NC(=O)c2ccc(-n3ncc(C(=O)O)c3C(F)(F)F)cc2)cccc1[N+](=O)[O-] 237826726 JWIWOWVHUVNDEX-UHFFFAOYSA-N 434.330 4.058 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1N1CCC(c2nc(-c3ccccn3)no2)CC1 301647508 DMASJOIFKDQLOW-UHFFFAOYSA-N 430.262 4.186 5 20 IIBD O=[N+]([O-])c1cc(Cl)cnc1Sc1nnc(CN2CCCCC2)n1-c1ccccc1 301726956 AYDNDRQXAWOFSB-UHFFFAOYSA-N 430.921 4.361 5 20 IIBD C[C@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1cc(F)ccc1N1CCC(O)CC1 301968317 XZQZSBNRDZSZRF-LBPRGKRZSA-N 425.407 4.470 5 20 IIBD O=[N+]([O-])c1cnc(N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c(Br)c1 302146985 GVTCPLZCANJUKS-AWEZNQCLSA-N 432.196 4.349 5 20 IIBD O=C(c1ccccc1C(F)(F)F)N1CCC(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 302466628 VZRMQCURTNHQFM-UHFFFAOYSA-N 438.362 4.239 5 20 IIBD CC(C)NC(=O)Nc1ccc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 302938460 KLBJHPBCRKDFIA-UHFFFAOYSA-N 442.519 4.001 5 20 IIBD O=C(C[C@@H]1C=CCC1)Nc1ccccc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 303337030 UVRILVBUXZBKDS-MRXNPFEDSA-N 431.452 4.328 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(CNC(=O)c2cccs2)cc1 303755909 CZGZHATWDBOXER-UHFFFAOYSA-N 437.521 4.339 5 20 IIBD O=C(O)C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cnn(-c2ccccc2)c1 426752520 ANNPPMCRLMZYGI-OAQYLSRUSA-N 432.436 4.346 5 20 IIBD COc1cc(CCNC(=O)Nc2ccc(C(=O)C(C)(C)C)cc2)c([N+](=O)[O-])cc1OC 428864208 CBIWFXXFJYDFLI-UHFFFAOYSA-N 429.473 4.205 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1cccc(NC(=O)C2CCCCC2)c1 429200695 QTZINBCEHLDBSS-UHFFFAOYSA-N 425.489 4.347 5 20 IIBD CC(C)[C@H](NC(=O)CNC(C)(C)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCCO2 429258337 ULYHAAABFXWBTI-QHCPKHFHSA-N 441.528 4.094 5 20 IIBD Cn1cc(C(=O)N2CCC(c3ncccc3Cl)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 429261234 ZVFZIIAWSUXIPA-UHFFFAOYSA-N 425.876 4.064 5 20 IIBD CC1(C)CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H](c2cccc(C(F)(F)F)c2)O1 432295155 GRGGQCQNLCVVHA-INIZCTEOSA-N 444.431 4.154 5 20 IIBD O=C(Nc1cc(N2CCCC2=O)ccc1Cl)c1cc(Br)cc([N+](=O)[O-])c1 432644516 SZHNHUULXLTTRL-UHFFFAOYSA-N 438.665 4.390 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cc(Br)ccc1OC(C)C 433509660 NLBUHRSNEPYNRP-UHFFFAOYSA-N 438.278 4.204 5 20 IIBD O=[N+]([O-])c1ccc(/C=C\c2nc(O)c3cnn(-c4cccc(Br)c4)c3n2)cc1 434936600 XSJXOYRIYHMILT-TWGQIWQCSA-N 438.241 4.362 5 20 IIBD Cc1c(NC(=O)NC[C@@](C)(CO)Cc2ccccc2)cc(Br)cc1[N+](=O)[O-] 435326835 DZOGSLSROFTNPJ-IBGZPJMESA-N 436.306 4.029 5 20 IIBD COc1cccc(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2Cl)c1[N+](=O)[O-] 435658162 XJTWMVMLDNUBPX-UHFFFAOYSA-N 441.875 4.494 5 20 IIBD CCN(CC)CCOc1ccccc1CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 436061900 QITVVMSUDWJLJU-UHFFFAOYSA-N 443.547 4.332 5 20 IIBD C[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccc(NC(=O)NC2CC2)cc1 436063435 DFNPAYIMVXQMLA-OAHLLOKOSA-N 440.503 4.456 5 20 IIBD CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1 436079833 SOFZHLJGLRWOBO-HNNXBMFYSA-N 445.494 4.279 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)N(C[C@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F 440419002 UWFXBQPAODRHOD-IBGZPJMESA-N 435.446 4.050 5 20 IIBD O=C(NCCNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])c1ccccc1F 440686775 VOSGVVAJGJSQEC-UHFFFAOYSA-N 439.468 4.045 5 20 IIBD COCc1nc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c(-c2ccccc2)s1 442872566 IFNYMOCPJLCSBP-SJLPKXTDSA-N 427.530 4.335 5 20 IIBD C[C@H](c1nc(-c2cccs2)no1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 443193526 WDOGLCDIOUBFAO-MRVPVSSYSA-N 444.288 4.004 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 443650485 HPVKDQVTMLOJHF-CQSZACIVSA-N 442.447 4.092 5 20 IIBD Cc1ccnc(OC2CCN(C(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)CC2)c1 444302071 PKDCDUBHONGTLF-UHFFFAOYSA-N 449.457 4.347 5 20 IIBD CC(C)c1nc2ccccc2n1Cc1noc(-c2ccn(-c3ccccc3[N+](=O)[O-])n2)n1 445660607 UIDFKGYNPXIOCE-UHFFFAOYSA-N 429.440 4.352 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@H](c1ccccc1F)C1CCCC1 446431056 HTYDPSPMJLIDLQ-QFIPXVFZSA-N 441.459 4.470 5 20 IIBD CCn1ncc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C(F)(F)F 466498456 CJEHUCKXAKUEID-UHFFFAOYSA-N 439.316 4.290 5 20 IIBD C[C@H]1c2cc(F)cc(F)c2CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br 468124107 LKTXGLGKKYWPRD-JTQLQIEISA-N 440.244 4.193 5 20 IIBD Cc1ccc(NC(=O)c2cccc(Oc3ccc([N+](=O)[O-])cc3S(C)(=O)=O)c2)cc1 468717854 SSMGCIYQXFIACN-UHFFFAOYSA-N 426.450 4.351 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C)nc1-n1cc(Cl)cn1 470330448 MENGYRMVECIMPM-UHFFFAOYSA-N 431.905 4.179 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 470716413 LOVIGRHQWAEBJW-CYBMUJFWSA-N 448.262 4.449 5 20 IIBD O=C(Cc1csc2ccc(Br)cc12)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 471156555 KYSJVHCVQYPRPN-UHFFFAOYSA-N 449.330 4.175 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CC[C@]3(C2)OCc2ccccc23)cc1[N+](=O)[O-])c1ccccn1 471597825 RGPDLEABWZSMQD-CRICUBBOSA-N 444.491 4.435 5 20 IIBD CC(C)c1nc(Cn2cc(C(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)ccc2=O)cs1 472305894 OCWNGJPHDVOIGM-UHFFFAOYSA-N 440.525 4.050 5 20 IIBD CCN(C)C[C@@H]1CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 478295892 AVKTVWQAEHOUNV-INIZCTEOSA-N 430.936 4.274 5 20 IIBD O=C(Nc1cc(-c2ccc(OC(F)F)cc2)no1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 478536904 IKCGUTFKJZDOSX-UHFFFAOYSA-N 441.350 4.289 5 20 IIBD CCn1c(SC[C@@H](O)COc2ccccc2Cl)nnc1-c1ccc([N+](=O)[O-])cc1 480387514 VXTJGNREJRFUBW-HNNXBMFYSA-N 434.905 4.059 5 20 IIBD CN(C)C(=O)c1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)c1 481629936 VEBDVJQCCAUNRD-UHFFFAOYSA-N 435.505 4.378 5 20 IIBD CCOc1ccc(CN(C(=O)c2cc([N+](=O)[O-])nn2C)c2ccc(OC)c(Cl)c2)cc1 481864144 ITFLECQKOWDUBU-UHFFFAOYSA-N 444.875 4.236 5 20 IIBD Cc1ccc(-n2ncc(NC(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)c2C(C)C)cc1 481885059 YODGSCIVPYPGJE-UHFFFAOYSA-N 431.456 4.045 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 481964289 BTNVLZPPCOEKHA-UHFFFAOYSA-N 439.493 4.289 5 20 IIBD COc1cc(CN[C@@H](CO)c2c(Cl)cccc2Cl)c([N+](=O)[O-])cc1OC(F)F 483227225 HLGNYEIGVWUEDZ-LBPRGKRZSA-N 437.226 4.335 5 20 IIBD Cc1c(CNC(=O)C(=O)Nc2cccc(CO[C@@H]3CCC[C@@H](C)C3)c2)cccc1[N+](=O)[O-] 483813202 BXTUMJRVPLDRPR-IIBYNOLFSA-N 439.512 4.253 5 20 IIBD COc1ccc(NC(=O)CNC2(c3cc(C(F)(F)F)ccc3Cl)CC2)c([N+](=O)[O-])c1 485024526 HYEMJTQHYJMRKL-UHFFFAOYSA-N 443.809 4.493 5 20 IIBD COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)s2)cc1 487191237 ZEJIRXJQHKAIPV-LLVKDONJSA-N 441.465 4.255 5 20 IIBD O=C(NCc1nc(-c2cccc(Cl)c2)no1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 487292311 UMUAOFNVSWVMRY-UHFFFAOYSA-N 427.848 4.172 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1C 488640257 HZLKWFQLSPNKHX-UHFFFAOYSA-N 443.525 4.130 5 20 IIBD Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 488909557 NFLLCMBZJWNDRS-ZWKOTPCHSA-N 447.539 4.499 5 20 IIBD O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 488973042 BQYBVAKQVMXJGW-ZWKOTPCHSA-N 449.467 4.259 5 20 IIBD COc1ccc([C@H](NCCn2cc([N+](=O)[O-])ccc2=O)c2ccc(C(F)(F)F)cc2)cc1 492425439 RXRBHNUNAAWPDX-OAQYLSRUSA-N 447.413 4.163 5 20 IIBD O=C(Nc1ccc(Oc2ccc(Cl)cc2)cn1)c1cc2c(cc1[N+](=O)[O-])OCCO2 494496906 QSGISCXCBAZXDQ-UHFFFAOYSA-N 427.800 4.459 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@H]1c2ccccc2CC[C@@H]1n1ccnc1 494550126 UAXKGXJZNBXFBM-GOTSBHOMSA-N 433.512 4.342 5 20 IIBD CC(C)CCSc1ccc(C(=O)NC2CCN(C3CCN(C)CC3)CC2)cc1[N+](=O)[O-] 497426408 OUSFLDLRYREFQC-UHFFFAOYSA-N 448.633 4.021 5 20 IIBD CCOc1ccc(Oc2cc(CNC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)ccn2)cc1 498733206 HBFMSXAZHFBHBR-UHFFFAOYSA-N 446.463 4.452 5 20 IIBD CN(CC(C)(C)CN1CCOCC1)C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 501091350 HBMAXCQIILBPEW-UHFFFAOYSA-N 443.569 4.176 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1Sc1ccccc1 501131050 OQLLOZKEHFYSEB-MRXNPFEDSA-N 435.505 4.181 5 20 IIBD Cc1ccc(CNC(=O)COc2c([N+](=O)[O-])cnc3ccc(Br)cc23)cc1F 508163524 OCSUVBVYSMVBNT-UHFFFAOYSA-N 448.248 4.048 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCCCc2nccs2)cc1[N+](=O)[O-] 508311666 KVJFRTKIEUFMMR-UHFFFAOYSA-N 441.534 4.367 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3OC)c(F)c2)c([N+](=O)[O-])c1 511709472 AOUZJBPOBRTCQP-UHFFFAOYSA-N 448.428 4.344 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Oc2cccnc2)cc1 511745548 RJYYSUUGVAXRMT-ZDUSSCGKSA-N 440.843 4.251 5 20 IIBD O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1ccc(Cl)cc1[N+](=O)[O-] 511858389 JQVIBZKMPCOYLS-LBPRGKRZSA-N 429.782 4.156 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)Cc1c(F)cccc1F 511889056 ROFBAYJUAYYARD-UHFFFAOYSA-N 446.191 4.058 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)nnc1-c1cccc(C)c1 514210976 MCJNMMAZOSTHOO-CQSZACIVSA-N 441.513 4.310 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 516734710 BBNNRZMZXBOWCD-ZDUSSCGKSA-N 431.876 4.386 5 20 IIBD CC[C@@H](C)N(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(C(N)=O)cc1 520163787 ZRFRQGVSKLODHZ-QGZVFWFLSA-N 427.504 4.085 5 20 IIBD CCOc1cc(C(=O)N[C@H]2C[C@@H]2c2cccc(Br)c2)c([N+](=O)[O-])cc1OC 520347429 FEASAROPINQRHS-HIFRSBDPSA-N 435.274 4.051 5 20 IIBD CC[C@H](c1ccccc1)c1nnc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)s1 520729025 POFUIRLAGDBODP-QGZVFWFLSA-N 434.481 4.426 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cccc(COc2ccc3c(c2)OCO3)c1 520968514 RGKJCPAWRHWQBG-UHFFFAOYSA-N 445.431 4.496 5 20 IIBD O=C(Cc1csc(-c2ccc3c(c2)OCO3)n1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 522241943 XKWYCDNCUHQEHQ-UHFFFAOYSA-N 449.391 4.230 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccnn1Cc1ccccc1Br 522739782 QCXIWGJVUHVBCI-UHFFFAOYSA-N 449.692 4.437 5 20 IIBD CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c1 523414919 XFMDJEUTHNFBMJ-UHFFFAOYSA-N 441.875 4.167 5 20 IIBD Cc1c([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Br)cnn1-c1ccc(F)cc1 523509747 UZEXPRNJQCCDQD-LLVKDONJSA-N 447.264 4.482 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCSC[C@@H]1c1ccc(Cl)cc1 523847016 FHVFBDBTODEWGD-LJQANCHMSA-N 428.901 4.364 5 20 IIBD COc1cc(C(=O)Nc2c(C)cnn2[C@H]2CCCc3ccccc32)c([N+](=O)[O-])cc1OC 524378294 MTUXSZSGXLWVCQ-SFHVURJKSA-N 436.468 4.295 5 20 IIBD Cc1ccc(NCCCNC(=O)NC2CCN([C@H](C)c3ccccc3)CC2)c([N+](=O)[O-])c1 524801296 CQYFAUXMWMVAHZ-LJQANCHMSA-N 439.560 4.230 5 20 IIBD COc1ccc(CC[C@@H]2CCCCN2CC(=O)Nc2ccccc2[N+](=O)[O-])cc1OC 533266942 VKOSTALOVCPPGG-SFHVURJKSA-N 427.501 4.038 5 20 IIBD CC[C@H](NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@H](c1ccc(C)cc1)n1cncn1 535172823 IXTSOOIAKAEUBS-XJABCFGWSA-N 436.516 4.232 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 535352847 AVMPODSJVADIRE-UHFFFAOYSA-N 446.438 4.326 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC=C(c2ccc3c(c2)OCCO3)CC1 536151040 NEJBWYZEIMRIRL-UHFFFAOYSA-N 449.488 4.419 5 20 IIBD CCS[C@@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)OC)C1 536469895 PPLURUFGHKOOAP-UKRRQHHQSA-N 426.560 4.044 5 20 IIBD CN(CCCO)C1CCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 538740070 GZSNFXUSZXTBBK-UHFFFAOYSA-N 433.936 4.319 5 20 IIBD O=C(Nc1ccc(F)cc1)c1nnc(COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 542216023 WUTLHPZBJWABCE-UHFFFAOYSA-N 442.350 4.436 5 20 IIBD CC[C@@H]1Oc2cc([C@@H](C)Nc3ncc([N+](=O)[O-])c(C)c3Br)ccc2NC1=O 542508470 TUTVRXHQIICPHH-YGRLFVJLSA-N 435.278 4.343 5 20 IIBD C[C@H](C(=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1)c1ccc([N+](=O)[O-])cc1F 542684187 DDQCHRBAWKSUJY-KPZWWZAWSA-N 426.366 4.456 5 20 IIBD CCc1nc(COc2ccc(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)cc2)no1 542928803 XGDXNMQBQQRHHK-UHFFFAOYSA-N 436.346 4.390 5 20 IIBD CCCn1c(SC[C@H](O)COc2ccccc2[N+](=O)[O-])nnc1-c1cccc(C)c1 543121145 UJWYUTOOPJJCOU-QGZVFWFLSA-N 428.514 4.104 5 20 IIBD Cc1cnc([C@@H](C)CNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)s1 543501656 VRMOXXYYGFAUSA-VIFPVBQESA-N 440.312 4.386 5 20 IIBD COc1ccccc1-c1noc([C@@H](C)N[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1 543546666 UYNAUNBGNVHLCE-CHWSQXEVSA-N 436.428 4.115 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F 543639079 BIJAHRZZUAVEIL-QLJPJBMISA-N 426.242 4.394 5 20 IIBD Cc1cc(NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)ccc1-n1nnnc1C(C)C 544367809 AGNFMBRVRUOONF-UHFFFAOYSA-N 432.488 4.015 5 20 IIBD O=[N+]([O-])c1ccc(/C=C/c2nc(CS(=O)(=O)c3cc(Cl)ccc3Cl)no2)cc1 544906341 OLQCAOAGHQSQAO-FPYGCLRLSA-N 440.264 4.429 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccccc2)c(Br)c1 544940985 NJFSHEHJRYLVJY-INIZCTEOSA-N 425.304 4.273 5 20 IIBD COc1cc(Cc2noc(Cn3c4ccccc4c(=O)c4ccccc43)n2)ccc1[N+](=O)[O-] 545057190 GBSRXSXYHJFBMJ-UHFFFAOYSA-N 442.431 4.094 5 20 IIBD CC(C)(C)OC(=O)Cc1noc(-c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)n1 546599944 OVPDSKOHGYXXFN-UHFFFAOYSA-N 440.243 4.022 5 20 IIBD CCC[C@@H](NC(=O)c1ccccc1)c1noc(-c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)n1 547197188 GPXPAHYVOOAEPR-GOSISDBHSA-N 432.440 4.102 5 20 IIBD COc1ccccc1O[C@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 553568090 DORVFZWXQCEOKA-IBGZPJMESA-N 442.515 4.233 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1OCCc2sccc21 554205693 RCVPKOFHAKBMTA-QFYYESIMSA-N 425.304 4.160 5 20 IIBD CN(Cc1nc(-c2cccs2)no1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 557063260 VDYPVBBERDQUJO-UHFFFAOYSA-N 427.467 4.102 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])c1nnc(CCCc2cccs2)n1C[C@H]1CCOC1 559220658 NCYKGDKLFTZAJS-QGZVFWFLSA-N 441.557 4.096 5 20 IIBD CC(C)(CO)[C@H](NCc1cc(I)cc([N+](=O)[O-])c1)c1ccccc1 562066758 LTTCEJTVQWTGAJ-QGZVFWFLSA-N 440.281 4.049 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(Cc3ccc4ccccc4c3)o2)c1C 567676186 CIPQTGQFLONLRX-UHFFFAOYSA-N 438.465 4.139 5 20 IIBD Cc1[nH]nc(C(=O)N[C@@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)c1[N+](=O)[O-] 573468157 OLDSHEJCNFOOMI-HNNXBMFYSA-N 444.373 4.041 5 20 IIBD CO[C@H](C)c1nc(Cc2noc(-c3cc([N+](=O)[O-])cc(Br)c3C)n2)cs1 575093502 XZKDOSLUUVSMDU-SECBINFHSA-N 439.291 4.470 5 20 IIBD O=[N+]([O-])c1cc(I)cc(Cn2nc(C(F)(F)F)c3cnccc32)c1 575220607 OEDPPPFXJRQBHQ-UHFFFAOYSA-N 448.142 4.011 5 20 IIBD CN(C)C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(Cl)cc1 581442209 SYPYZRUJJTZQHM-QGZVFWFLSA-N 444.841 4.369 5 20 IIBD Cc1ccc(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc1OCC1CCOCC1 589330042 PAWYSZYJWZCIJE-UHFFFAOYSA-N 441.484 4.135 5 20 IIBD O=C(N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)N1CCOc2ccc([N+](=O)[O-])cc2C1 589337294 ZUIWSCKRZPGBBB-INIZCTEOSA-N 429.782 4.456 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccccc2OCC(F)(F)F)cc1[N+](=O)[O-] 603568530 REFXELDCDZNVKB-UHFFFAOYSA-N 430.404 4.416 5 20 IIBD Cc1ccc(S(=O)(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] 603584242 NZNOQHCNSTXBCX-URLYPYJESA-N 434.358 4.091 5 20 IIBD CC(C)CNC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Cl 603982837 CPBIQVZWHIRLRU-UHFFFAOYSA-N 446.312 4.088 5 20 IIBD O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 603991116 YCVHAXSHONZCLQ-UHFFFAOYSA-N 433.468 4.049 5 20 IIBD COCCOc1ccc(C(F)(F)F)cc1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 604006592 YKWYPSKDESTTDH-UHFFFAOYSA-N 438.362 4.301 5 20 IIBD Cc1ncsc1CNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 609182942 ZZWQFMRQUIGRMZ-UHFFFAOYSA-N 433.493 4.071 5 20 IIBD CCOC(=O)c1cc(S(=O)(=O)N(C)Cc2csc3ccccc23)cc([N+](=O)[O-])c1C 609706558 FUAQUFRQPAOVCY-UHFFFAOYSA-N 448.522 4.115 5 20 IIBD Cc1ccc(-n2nc(-c3ccco3)cc2NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)cc1 609977667 FLQSCIRYXLGVDM-UHFFFAOYSA-N 434.456 4.191 5 20 IIBD CCOc1cc2c(cc1CNC(=O)c1ccc([N+](=O)[O-])cc1Br)O[C@@H](C)C2 610037326 AYLATELHAJXWLB-NSHDSACASA-N 435.274 4.009 5 20 IIBD Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)s2)cc1 610104369 UFACDKBWNOZRAR-HNNXBMFYSA-N 438.509 4.493 5 20 IIBD Cc1ccncc1[C@H](C)NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 611300555 PYLBXXZDSCTZKK-AWEZNQCLSA-N 436.434 4.411 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCn2c(nnc2C(F)F)C1 619582074 WMDIKTOFELVPEH-UHFFFAOYSA-N 449.801 4.226 5 20 IIBD C[C@H](NC(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1ccccc1 727296307 LNWUUDXBSIGIDR-HNNXBMFYSA-N 447.447 4.109 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N2CCC[C@@H]2C2CCC2)cc1 728191750 PRAXVXNZPWYYTJ-HXUWFJFHSA-N 444.509 4.076 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1 728477750 JVYACOOLNULFCH-UHFFFAOYSA-N 433.445 4.370 5 20 IIBD Cc1cc(C(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)c2c(C(C)C)noc2n1 729192367 GXWXJVWFAKATJP-UHFFFAOYSA-N 439.472 4.031 5 20 IIBD Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 729244844 MFTQAZXFLUTIQL-UHFFFAOYSA-N 436.859 4.239 5 20 IIBD C[C@@H](c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)c1)N1CCOCC1 729656801 AKWZTPGZIUBVBM-ZDUSSCGKSA-N 434.290 4.003 5 20 IIBD O=C(NS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H](Sc1ccccc1F)c1ccccc1 730074866 YBGLOKYMCFNFJX-IBGZPJMESA-N 446.481 4.072 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)no1 730857028 AVAFLJFPMYMDKL-UHFFFAOYSA-N 449.341 4.373 5 20 IIBD COc1cc(F)c([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1OC 733940104 XKZZGHASWGFRCL-SECBINFHSA-N 427.226 4.005 5 20 IIBD CC1(C)[C@@H](OC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)[C@@H]2CCCO[C@H]21 744191068 XXPQKQUYHYCVRC-LQAWEQHXSA-N 440.283 4.448 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@@H](OCC)c3ccccc3)CC2)ccc1[N+](=O)[O-] 744201569 OSCVSOYOXKHSOY-QFIPXVFZSA-N 428.485 4.283 5 20 IIBD CC(C)c1ccc(C(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cc1 744645112 OUQJBJHDXAZPMP-PBHICJAKSA-N 442.443 4.025 5 20 IIBD Cn1ncc(C(=O)Oc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)c1C1CC1 747111751 PELONSADJGAZGZ-UHFFFAOYSA-N 431.404 4.198 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 747124669 QBWNSIJIMCUNOZ-LLVKDONJSA-N 426.347 4.115 5 20 IIBD O=C(O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 747250108 BZNKSFGYNWIROZ-KGLIPLIRSA-N 428.323 4.059 5 20 IIBD COc1c(C)cnc(CNC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c1C 747675136 IDMAOZZYCPTKHC-GJZGRUSLSA-N 426.517 4.028 5 20 IIBD Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c(C)c1 748946344 GLTBHRMZMXXMJS-OAHLLOKOSA-N 429.429 4.229 5 20 IIBD Cc1c(CC(=O)Oc2ccc(C(=O)N3CCc4sccc4C3)cc2)cccc1[N+](=O)[O-] 749123484 HOVALVAJLYAFNB-UHFFFAOYSA-N 436.489 4.311 5 20 IIBD O=C(NCCCOc1ccc(F)cc1)c1cc(Br)cc([N+](=O)[O-])c1Cl 749418767 IFMGNBZVGQTDHX-UHFFFAOYSA-N 431.645 4.349 5 20 IIBD Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2c(F)ccc([N+](=O)[O-])c2F)cs1 752557642 DEGVHDVPDDPJHG-UHFFFAOYSA-N 447.419 4.176 5 20 IIBD CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)OC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] 752558006 RTCYVYGAJARBQL-LBPRGKRZSA-N 428.372 4.175 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2c(F)ccc([N+](=O)[O-])c2F)c(Br)c1 752561322 GTMNFWKGGXKMQB-SECBINFHSA-N 443.200 4.128 5 20 IIBD Cc1ccc(C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)nc1 753481429 LTUARTNPVRTJDU-IBGZPJMESA-N 425.828 4.488 5 20 IIBD O=C(NC[C@@H](O)c1ccc2ccccc2c1)Nc1ccc(Br)c([N+](=O)[O-])c1 755025499 OTLVHZYNVRTVEW-GOSISDBHSA-N 430.258 4.366 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)OCc1csc(N(C(C)=O)c2ccc(F)cc2)n1 755676414 ZTWICBKFVCSWSN-UHFFFAOYSA-N 445.428 4.241 5 20 IIBD C[C@H](Nc1ccc(C(=O)OC2CCN(CC(F)F)CC2)cc1[N+](=O)[O-])c1ccccn1 755864952 IOSZKMLZEHSMDU-AWEZNQCLSA-N 434.443 4.049 5 20 IIBD Cc1noc(C)c1-c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1 758232610 HLHRCSCGRSMIJY-UHFFFAOYSA-N 447.425 4.159 5 20 IIBD O=C(O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1cccc(NC(=O)c2cccs2)c1 759937957 JFUYJZNSOSKFAP-IAGOWNOFSA-N 440.481 4.446 5 20 IIBD Cc1nn(Cc2ccc(C(=O)O[C@@H](C)C(=O)c3ccc(F)cc3F)cc2)c(C)c1[N+](=O)[O-] 760448924 PGUVRCKSXMDHJH-AWEZNQCLSA-N 443.406 4.163 5 20 IIBD O=C1OCCN1c1ccc(-c2noc(Cn3c4ccccc4c(=O)c4ccccc43)n2)cc1 761738930 SIXJGUUSOLZXFD-UHFFFAOYSA-N 438.443 4.210 5 20 IIBD Cn1c2ccccc2c2cc(C(=O)OCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)sc21 762208757 VABVGSOKCOBKKQ-UHFFFAOYSA-N 427.413 4.236 5 20 IIBD COc1ccc(CSCc2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)cc1[N+](=O)[O-] 762307694 ZOXMDYTZZLRIFS-UHFFFAOYSA-N 430.442 4.227 5 20 IIBD C[C@H](C(=O)Nc1cccnc1N1C(=O)O[C@@H](C(F)(F)F)[C@H]1C)c1cccc([N+](=O)[O-])c1 763184089 WBYJMRFGWSCZEV-FIXISWKDSA-N 438.362 4.008 5 20 IIBD O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1cc(F)c([N+](=O)[O-])cc1F 763382940 JJDHRZDYDYGMTF-UHFFFAOYSA-N 446.435 4.085 5 20 IIBD O=C(OCc1nc2cc(C(F)(F)F)ccc2o1)c1cc([N+](=O)[O-])ccc1SCCO 763745276 UDMUIGNPRFFJMW-UHFFFAOYSA-N 442.371 4.196 5 20 IIBD C[C@@H](OC(=O)c1ccn(-c2ccc(F)cc2F)n1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 766815625 WISDVBQPOHCGRW-LLVKDONJSA-N 441.350 4.027 5 20 IIBD O=C(CSc1cccc(Br)c1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 767023198 LRFLLEISVQJIES-UHFFFAOYSA-N 440.271 4.059 5 20 IIBD O=C1CN(c2ccc(NCc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)cc2)CCN1 770489066 OWBNBRVUCYHSPW-UHFFFAOYSA-N 426.860 4.057 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2 770867005 CZLHQNVWFHPPHG-HOTGVXAUSA-N 436.842 4.267 5 20 IIBD C[C@@H](CSCc1ccccc1)C(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 772976038 SLOXHBVXHJJPLQ-KRWDZBQOSA-N 429.542 4.319 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 774345484 YMZFCWOBCDDSOV-UHFFFAOYSA-N 432.738 4.106 5 20 IIBD O=C(CC[C@@H]1Cc2ccccc2NC1=O)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776134329 AWHJOQURNDPGCT-HXOBKFHXSA-N 431.448 4.214 5 20 IIBD Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(-c2cnco2)c1 777611966 NVXQTQVCJWPPDF-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)Nc1c(F)cc(Cl)cc1F 777648363 QCNQSVAXRZYPRA-UHFFFAOYSA-N 441.637 4.398 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)OCc1ccc(CO)cc1 778763299 GVRXUPRVZJPRTI-UHFFFAOYSA-N 443.459 4.226 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 780409050 UKVVJKZAKDBDSW-OAHLLOKOSA-N 437.562 4.474 5 20 IIBD C[C@H](OC(=O)c1cccc([N+](=O)[O-])c1Br)C(=O)Nc1ccc(F)cc1Cl 781673130 JGYLLAFIOFHEQC-QMMMGPOBSA-N 445.628 4.334 5 20 IIBD CC(C)[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1Br)C(=O)N1C[C@H](C)C[C@@H](C)C1 781678653 UADRTOSJRRPXGH-PBFPGSCMSA-N 441.322 4.043 5 20 IIBD COc1ccc(NC(=O)COC(=O)C(C)(C)CC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 781750371 VMMNAZDDJPSWCU-UHFFFAOYSA-N 448.859 4.038 5 20 IIBD O=C(NC[C@H](O)c1c(Cl)cccc1Cl)c1cccc([N+](=O)[O-])c1Br 782172915 WCMUGUSGKQELHB-LBPRGKRZSA-N 434.073 4.128 5 20 IIBD Cc1nnc([C@H](C)OC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)s1 782544895 DFIWQGQQPGAYQR-AWEZNQCLSA-N 449.492 4.454 5 20 IIBD COc1ccc(CN(C)C(=O)[C@H](C)OC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)cc1F 784256809 HPIWTYOINNBQDY-AWEZNQCLSA-N 432.448 4.070 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2CC(F)(F)F)c(C)c1[N+](=O)[O-] 790393343 GVZWIHMXAFURKN-UHFFFAOYSA-N 433.364 4.025 5 20 IIBD CC(C)[C@@H]1C[C@H](CC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCO1 791173202 BNXWMZJQWBBNPT-ACJLOTCBSA-N 425.323 4.083 5 20 IIBD CCOc1c(Cl)cccc1CC(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 791795998 RADJJJBCQDZESR-UHFFFAOYSA-N 433.892 4.044 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1 796081427 MBKXVJAKPONGRE-HXUWFJFHSA-N 446.912 4.173 5 20 IIBD C[C@H](OC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C(=O)N(C)Cc1c(F)cccc1Cl 796445716 QGPJBGJGCOSVLW-ZDUSSCGKSA-N 436.867 4.255 5 20 IIBD CC(C)[C@H]1CCCN1c1ccc(NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)cc1F 801183412 KMRQXWVFMOPAHG-QGZVFWFLSA-N 449.504 4.015 5 20 IIBD COc1cc(CCNC(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])cc1OC 801799514 DYLCTTVBVAQYPR-QGZVFWFLSA-N 430.354 4.000 5 20 IIBD O=[N+]([O-])c1ccc(Br)c2c1CN(c1ccc3ncccc3c1[N+](=O)[O-])CC2 804703761 YKZCYYBFMIEZIG-UHFFFAOYSA-N 429.230 4.376 5 20 IIBD O=C(COC(=O)c1ccnc(-c2ccc(Cl)cc2)n1)Nc1cc(Cl)ccc1[N+](=O)[O-] 805659231 MGSUEMBHIXWWKD-UHFFFAOYSA-N 447.234 4.154 5 20 IIBD O=C(NCCc1ccc(-c2ccccc2)cc1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 809285020 UTOPATAWQVCQIU-UHFFFAOYSA-N 443.503 4.112 5 20 IIBD CN([C@@H]1CCO[C@H](c2ccc(F)cc2)C1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] 815032587 JZYHHBDHERYGLM-DYVFJYSZSA-N 446.859 4.067 5 20 IIBD O=[N+]([O-])c1c(Br)cccc1N1CCc2c(ncn2CCc2ccccc2)C1 820681351 IPWMGUSGOACUAM-UHFFFAOYSA-N 427.302 4.359 5 20 IIBD Cc1cc([C@H]2CCCN2c2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])no1 913047200 RYRQQZRQJKNWSL-GOSISDBHSA-N 428.470 4.034 5 20 IIBD Cc1sc(-c2ccco2)nc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 913309690 VFSSUIUYIBKRQV-SECBINFHSA-N 435.845 4.457 5 20 IIBD Cc1cc(C)c(OC(=O)[C@@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)c([N+](=O)[O-])c1 914869384 LCOKGVKWMKVWFM-OAHLLOKOSA-N 448.422 4.271 5 20 IIBD COc1ccc(CSCC(=O)O[C@H](C)c2nnc(-c3cccs3)o2)cc1[N+](=O)[O-] 914917822 RPCTUHHYTYJYEX-LLVKDONJSA-N 435.483 4.253 5 20 IIBD O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1cc([N+](=O)[O-])ccc1I 915280049 ZVFMFDPJEGHWDH-RWMBFGLXSA-N 428.270 4.288 5 20 IIBD CN(C)S(=O)(=O)c1ccc(NCc2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1 917075269 KPAMTTZYVJOTGH-UHFFFAOYSA-N 441.509 4.036 5 20 IIBD CN(c1ccccc1)c1ccc(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cn1 919209299 AUTSTFIQABSLIM-UHFFFAOYSA-N 431.408 4.165 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1Oc1ccc(F)cc1Br 1116022899 CCSPGAXSSFPRPX-UHFFFAOYSA-N 426.166 4.285 5 20 IIBD C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Br)CC[C@@H]1NC(=O)OC(C)(C)C 1116673858 NXVFRORYBAESRV-WBMJQRKESA-N 428.327 4.092 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)Nc1nc(-c2c[nH]c3ccccc23)cs1 1261219734 PMLNVDHJERNOBZ-UHFFFAOYSA-N 445.460 4.153 5 20 IIBD COc1ccc(-c2ccc(CN[C@H]3CCCN(C(=O)c4ccccc4)C3)o2)c([N+](=O)[O-])c1 1322611250 OQTDSNWLEZNPAI-SFHVURJKSA-N 435.480 4.258 5 20 IIBD O=C(Nc1ccnn1Cc1cccc(Br)c1)N1Cc2ccc([N+](=O)[O-])cc2C1 1325926250 FPADDTDHWWIOFY-UHFFFAOYSA-N 442.273 4.150 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(-c2ccnc(CNC(=O)OC(C)(C)C)c2)n1 1327289714 WVYONLHPDUPWQF-UHFFFAOYSA-N 425.445 4.348 5 20 IIBD CCCN(CC(=O)Nc1ccccc1OC)Cc1ccc([N+](=O)[O-])cc1Br 1342932590 OEYFCSOOASHPIO-UHFFFAOYSA-N 436.306 4.217 5 20 IIBD Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)C(C)(C)F)cc3)CCC2)cc1[N+](=O)[O-] 1787941449 GVVVFELTEOPSAX-UHFFFAOYSA-N 427.476 4.328 5 20 IIBD CC(C)O[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(F)c3[N+](=O)[O-])CCC2)cc1 1789597097 PSXDOXZNDRPERI-HNNXBMFYSA-N 443.475 4.295 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C3(NC(=O)C45CC(C4)C5)CCC3)cc2)c1 1790056041 BNYZINGORKNLQL-UHFFFAOYSA-N 448.523 4.209 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)Nc1ccc(C2(NC(=O)c3ccccn3)CCC2)cc1 1790771124 QOGVCXQLJMWXAO-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD C[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1)c1ccccc1 1792312201 SVOOVFYLETWIBW-MRXNPFEDSA-N 432.480 4.474 5 20 IIBD CCCCC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc([N+](=O)[O-])o2)n[nH]1 1814312460 OQZRQANTBLUKIT-GDBMZVCRSA-N 431.493 4.433 5 20 IIBD CC(C)(C)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)n[nH]1 1821841211 FEOIZSIHSSXXRT-SFHVURJKSA-N 445.495 4.128 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=CCCC2)CC1 1830729367 LFOOPYDHUADNSW-OAQYLSRUSA-N 443.519 4.386 5 20 IIBD CC(C)[C@H](C(=O)N1CCCC12CN(C(=O)CCc1cccc([N+](=O)[O-])c1)C2)c1ccccc1 1841404404 QTFLICJIHNUEPC-DEOSSOPVSA-N 449.551 4.171 5 20 IIBD COc1ccc(Cl)cc1CN(C)C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] 11915513 GVCXLYWYXNRYLY-UHFFFAOYSA-N 430.791 4.139 5 20 IIBD COc1cc(CCNC(=O)COc2ccccc2-c2ccccc2)c([N+](=O)[O-])cc1OC 16143356 LMPNRTZIGPQDKR-UHFFFAOYSA-N 436.464 4.017 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)c2cc(C)n(Cc3ccco3)c2C)c1 16196460 WHVSQHLZQNGSRP-UHFFFAOYSA-N 428.466 4.416 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 18026141 QSEZHJUEEDWUAF-UHFFFAOYSA-N 449.847 4.391 5 20 IIBD C[C@@H](C(=O)Nc1cccc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1)n1cccn1 31612339 AUOFCODEAAFHPX-LSDHHAIUSA-N 439.497 4.110 5 20 IIBD CCN(C(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1)c1ccccc1 32369608 NOVYIQQUIUABIK-UHFFFAOYSA-N 439.493 4.371 5 20 IIBD CCOC(=O)c1cc(C(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)cc([N+](=O)[O-])c1 32676593 OEIQMIMFUAHOSA-MRXNPFEDSA-N 449.463 4.237 5 20 IIBD O=[N+]([O-])c1ccc(-c2ncn(C[C@@H](O)COc3ccc(Oc4ccccc4)cc3)n2)cc1 58733573 NSYCHQKVEVFYBX-LJQANCHMSA-N 432.436 4.086 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3cccc(Cl)c3N(C)C)cc2)c(C)c1[N+](=O)[O-] 58909115 DPUMIHLKKYPESJ-UHFFFAOYSA-N 427.892 4.428 5 20 IIBD COCCOc1cc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)ccc1OC 64908481 IKLVLSWNOXRREI-UHFFFAOYSA-N 429.454 4.004 5 20 IIBD O=C(NCC1CCN(Cc2ccccc2)CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 65125020 WDTCLMADTIMXNK-UHFFFAOYSA-N 436.537 4.360 5 20 IIBD Cc1nc2c(cnn2C(C)C)cc1C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 107799353 XZHFDAZHJZRMBU-UHFFFAOYSA-N 435.406 4.434 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N(C)CCOc3cccc(Cl)c3)cc2)c(C)c1[N+](=O)[O-] 247969797 HGMAUQFZPQVVIO-UHFFFAOYSA-N 442.903 4.261 5 20 IIBD COc1cc(CCNC(=O)c2csc(-c3cccc(Cl)c3)n2)c([N+](=O)[O-])cc1OC 302796744 FXNZKLKANJEDQA-UHFFFAOYSA-N 447.900 4.361 5 20 IIBD O=C(C[C@@H]1C=CCC1)Nc1ccccc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 409982836 XLJIQCDUHCTZRT-MRXNPFEDSA-N 431.452 4.328 5 20 IIBD C[C@@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])c1cccc(NC(=O)c2ccccc2)c1 410312072 MVMURTINCAFJLP-QGZVFWFLSA-N 447.495 4.319 5 20 IIBD CCOc1ccc([C@H](C)NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)cc1OCC 427902420 NWYYVNFGSMISGG-HNNXBMFYSA-N 439.468 4.197 5 20 IIBD O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1n[nH]c2ccc([N+](=O)[O-])cc12 428019570 BBNPOVSZISXITJ-UHFFFAOYSA-N 434.309 4.067 5 20 IIBD CCN([C@@H](c1cccnc1)c1ccc(F)c(F)c1)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] 431906183 ZORJSYDJUBLVBS-HXUWFJFHSA-N 447.463 4.377 5 20 IIBD COc1cccc([C@H](NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c2cc(F)ccc2OC)c1 434027112 JEIPYIKYCHPMKD-IBGZPJMESA-N 442.447 4.117 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1nc(COc2cccc(F)c2)no1 435979234 CJBNFNHBHUXOIC-UHFFFAOYSA-N 426.326 4.369 5 20 IIBD CCCCOc1ncccc1CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436310500 VKSHYZNCGNHRKO-UHFFFAOYSA-N 437.446 4.463 5 20 IIBD CCc1ccccc1-n1cnnc1SCC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437096253 LBTAYUPPBBADCW-UHFFFAOYSA-N 437.525 4.021 5 20 IIBD CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437244259 LQFGQWNFNYJDNW-UHFFFAOYSA-N 448.300 4.216 5 20 IIBD Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 438916472 JUTAKZKMABXXKM-UHFFFAOYSA-N 446.301 4.366 5 20 IIBD COc1ccc(C(=O)NCC(=O)N[C@@H](CC(C)(C)C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 439317476 FYYIAMNKQODQSX-KRWDZBQOSA-N 447.919 4.280 5 20 IIBD CC(C)N1CCC(N[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 439651198 FUVQNOJNIAEJFJ-NRFANRHFSA-N 430.936 4.390 5 20 IIBD CC(C)(NC(=O)NCc1cccc(COCC(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 442281508 HFAMYVWYWPDFJC-UHFFFAOYSA-N 425.407 4.408 5 20 IIBD O=C(NCc1ccc(COCc2ccccc2)cc1)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444851349 PQUDYGDSQOULIW-UHFFFAOYSA-N 445.479 4.187 5 20 IIBD COc1ccc(NC(=O)Cc2noc(-c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)n2)cc1OC 445374054 JEEWSKRZISFSFQ-UHFFFAOYSA-N 440.456 4.141 5 20 IIBD Cc1ccc(CNC(=O)Cc2noc(-c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)n2)cc1 445568951 ONIFFHPOYVFAAR-UHFFFAOYSA-N 449.511 4.048 5 20 IIBD CC(C)COC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccco1 446123546 UHMGUTGUSWVHLR-MRXNPFEDSA-N 425.279 4.023 5 20 IIBD CCCOc1c(Br)cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1OC 446431761 QKAXGZFTTSLCHN-UHFFFAOYSA-N 449.301 4.353 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)NCc1nc(-c2cc3ccccc3o2)cs1 446900544 ZJCZUNXONJGHAN-UHFFFAOYSA-N 448.464 4.340 5 20 IIBD CC(C)[C@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 447861776 QQLOKJIGQFZGHG-LJQANCHMSA-N 443.504 4.483 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)CC(=O)Nc1c(Cl)cccc1Cl 460223650 BZBFTLCICBTVQN-UHFFFAOYSA-N 449.298 4.255 5 20 IIBD CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 460448057 MLSPUQXCJSOMMO-IBGZPJMESA-N 439.512 4.461 5 20 IIBD COc1cc(C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c([N+](=O)[O-])cc1OCc1cscn1 460577377 SKTOKVRUJACEID-SOUVJXGZSA-N 431.514 4.338 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](c1ccc(Cl)cc1)c1ccn(C)n1 462605778 IPMAUCKTARFTAB-HRAATJIYSA-N 426.904 4.456 5 20 IIBD COc1ccc2c(c1)CCC[C@H]2CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br 463541603 CKPSWPPSYASLRM-HNNXBMFYSA-N 433.302 4.145 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCc1ccc(OCc2ccccc2)cc1 464022351 UVZRTHHSVXBXPC-UHFFFAOYSA-N 433.464 4.046 5 20 IIBD CN1CCN(C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2cc(F)ccc21 464296761 OGRAYDHULYOSLO-UHFFFAOYSA-N 429.395 4.328 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)N1CCOc2c(Cl)cc(Br)cc21 464655655 IXCSHNIXJFQXOX-UHFFFAOYSA-N 427.638 4.059 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N(Cc1ccc(F)cc1)C1CCCCC1 465131160 XMXYGRGSOQKSOZ-UHFFFAOYSA-N 428.460 4.409 5 20 IIBD CC[C@H]1Oc2cc([C@H](C)NC(=O)NCCCCc3ccc([N+](=O)[O-])cc3)ccc2NC1=O 466759202 UNTIKLYQYDPZRR-MGPUTAFESA-N 440.500 4.087 5 20 IIBD COc1cc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC(F)F 468400695 YNXLCPXKVGOQHV-UHFFFAOYSA-N 441.330 4.198 5 20 IIBD CC(C)OC(=O)C[C@@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1ccccc1 471258604 RPLBVOVVJUXWFZ-LJQANCHMSA-N 436.468 4.054 5 20 IIBD CCCc1cccc(C(C)C)c1NC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 471888604 MBLQTDKCRSFCDI-UHFFFAOYSA-N 433.530 4.266 5 20 IIBD C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F 475639907 QUBJQEWXMHUOSP-PIGZYNQJSA-N 445.825 4.307 5 20 IIBD CCOC[C@@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C(C)C 475890708 BVPZUAZBFNNJIA-MRXNPFEDSA-N 431.455 4.007 5 20 IIBD COc1ccc(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)c(OCCOC(C)C)c1 475899537 STHITRQJBFYJQU-UHFFFAOYSA-N 425.441 4.208 5 20 IIBD COc1c(C(=O)N[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)cccc1[N+](=O)[O-] 476397096 LJHKVENAIXRWMP-LJQANCHMSA-N 448.401 4.439 5 20 IIBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cccnc1OCc1ccccc1F 477891611 YFUBHTUXDCRUTR-UHFFFAOYSA-N 439.399 4.122 5 20 IIBD COc1cc(CCNC(=O)N(Cc2cccc(C)c2)CC(C)C)c([N+](=O)[O-])cc1OC 480597483 WKTCGXHBZTVBEH-UHFFFAOYSA-N 429.517 4.331 5 20 IIBD CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)cc1 480716325 AYFLUTHIDUHPNP-AWEZNQCLSA-N 431.514 4.114 5 20 IIBD O=C(Nc1ccc(Cc2nnc3n2CCC3)cc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 481117927 RJHCLCGHNURFJV-UHFFFAOYSA-N 435.487 4.062 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](c1ccccc1)c1nc2ccccc2n1C 481413302 KDDQBISEFGUKIL-HSZRJFAPSA-N 429.480 4.108 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 482136907 CPHIQRVDVGQZEL-CYBMUJFWSA-N 425.411 4.375 5 20 IIBD COCCN(C(=O)COC1CCC(C)CC1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 483090530 QHFAAVYQDBHRED-UHFFFAOYSA-N 433.530 4.293 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 483650358 HCEGOFXFQXKVAA-SECBINFHSA-N 447.316 4.031 5 20 IIBD CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 485528673 PUCRZVXPMBDVNF-UHFFFAOYSA-N 431.514 4.135 5 20 IIBD CCOc1ccc(Br)cc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 486996972 AXJGQFZVFZCCRZ-UHFFFAOYSA-N 431.246 4.194 5 20 IIBD O=C(c1ccc(Oc2ccc(F)c(F)c2)cc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 487059241 UBIVUOSLOBHNPP-UHFFFAOYSA-N 428.395 4.339 5 20 IIBD C[C@@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 487209609 KQBSWCWCEXWUPN-SCSAIBSYSA-N 430.227 4.385 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@](C)(C(=O)OC)c1ccc(F)cc1 487611710 WEYVJDXTZIHUJJ-OAQYLSRUSA-N 434.489 4.097 5 20 IIBD Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 490012980 YWXPNBNYYWPDDT-UHFFFAOYSA-N 449.511 4.155 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)NC1CCN(c2nc3ccccc3s2)CC1 490031504 GZYOFBWYEOLHLV-UHFFFAOYSA-N 428.539 4.082 5 20 IIBD COc1ccc(CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1OC1CCCC1 492447348 QVARCPRBRZNBMB-UHFFFAOYSA-N 427.501 4.309 5 20 IIBD COc1cc(CN[C@@H]2CCCN(c3ccccc3F)C2)c([N+](=O)[O-])cc1OCC(F)F 493712222 YMTSHJJNWKMQSW-OAHLLOKOSA-N 439.434 4.145 5 20 IIBD CCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)[C@H](c1ccc(Cl)cc1)c1ccccn1 497906811 ZMROJGLKKHNSOT-OAQYLSRUSA-N 427.892 4.176 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3C[C@H](CO)c4ccccc43)cc2[N+](=O)[O-])n1 498337430 WRLXDLXXYPZPGH-CQSZACIVSA-N 427.507 4.247 5 20 IIBD CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1ccccc1CN1CCC(O)CC1 504905539 JZHFGMDHOFBENX-HXUWFJFHSA-N 429.586 4.212 5 20 IIBD CC(C)(C)n1ncnc1CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 506225909 DBVDKLBSTHHNSL-UHFFFAOYSA-N 442.907 4.137 5 20 IIBD CC(C)c1ccc(CSc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)cc1 506740487 BRJVQLAOZSWYLW-UHFFFAOYSA-N 436.555 4.031 5 20 IIBD Cn1cnc(-c2ccc(Br)cc2)c1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 508401595 IUIJUTDLRDIRNP-UHFFFAOYSA-N 440.257 4.491 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](C)CC[C@@H]1c1ccccc1OC 510185064 LYFZKZXICJMKCC-OXJNMPFZSA-N 427.501 4.414 5 20 IIBD COc1cc(C(=O)N2CCSc3ccccc32)c([N+](=O)[O-])cc1OCc1cscn1 512394792 KICXZZFBGVQRMZ-UHFFFAOYSA-N 443.506 4.391 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CCC[C@@H]2CCc2ccccc2)cc1[N+](=O)[O-] 516131653 VIPMWTRAHNYJIN-GOSISDBHSA-N 437.525 4.112 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 516343951 HUXKNOPQHQMDEO-GFCCVEGCSA-N 447.296 4.260 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H](Oc2ccc(Cl)cc2)C1 517421012 JQJOFWAMJLERQV-INIZCTEOSA-N 425.666 4.304 5 20 IIBD O=C(NC1CCC(c2ccccc2)CC1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 521092198 MEDDZSCZUQAFSC-ABHNRTSZSA-N 427.526 4.104 5 20 IIBD COc1ccc(COc2cccc(F)c2)cc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 521534579 AUEOCFKVQFQCBR-UHFFFAOYSA-N 440.383 4.303 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1C[C@@H]1c1c(F)cccc1F 522546360 JPJADCBFTPQUJZ-RYUDHWBXSA-N 429.345 4.224 5 20 IIBD Cn1c(C(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)ccc1[N+](=O)[O-] 523891058 FMEIBSMYSHFUKT-UHFFFAOYSA-N 434.239 4.140 5 20 IIBD CC(C)c1ccc(C(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1[N+](=O)[O-] 525886724 WODVNHJHTQOTQT-UHFFFAOYSA-N 449.429 4.335 5 20 IIBD O=C(Nc1ccccc1Br)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 533050351 XRLAOOMYHBVBEZ-UHFFFAOYSA-N 432.318 4.251 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC(NC(=O)Nc2ccc(F)cc2)CC1 533344113 FYAWFBISRJFUOM-UHFFFAOYSA-N 430.480 4.307 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)NCC1CCN(Cc2ccccc2Cl)CC1 535364679 HNAKNKRFMIVEMX-UHFFFAOYSA-N 430.936 4.002 5 20 IIBD O=C(Nc1cccc2c1CN(c1nccs1)C2)c1cc(O)nc2ccc([N+](=O)[O-])cc12 535499935 NRROUTRTTOQJAE-UHFFFAOYSA-N 433.449 4.078 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cccc(OCc2cn3ccccc3n2)c1 536187036 OPMCPBAYLOLBOR-UHFFFAOYSA-N 441.447 4.484 5 20 IIBD Cc1cc(C)cc(-n2nc(NC(=O)c3cc([N+](=O)[O-])ccc3SCCO)cc2C)c1 539711991 YOAFCEPCAQCOEH-UHFFFAOYSA-N 426.498 4.042 5 20 IIBD COc1cc(C(=O)N2CCN(C)[C@@H](C)[C@H]2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 540014077 XUIWEJOSOYVZDA-UONOGXRCSA-N 433.892 4.214 5 20 IIBD CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1cc([N+](=O)[O-])ccc1SC(C)C 540399555 VPHQCNHAHCEJJG-UHFFFAOYSA-N 431.514 4.205 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 542569246 OFTLUKYNBZXJSL-LPHOPBHVSA-N 434.489 4.123 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCO[C@@H](CCc3ccccc3)C2)cc1[N+](=O)[O-] 543597639 HJGOHBNREBCSAO-KRWDZBQOSA-N 433.302 4.140 5 20 IIBD CCn1c(SC[C@H](O)COc2ccccc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 544047817 MQBMCOBRODWEKH-OAHLLOKOSA-N 434.905 4.059 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)C2(c3nc(Cc4ccccc4[N+](=O)[O-])no3)CCCC2)c1 546239116 FSAXPINGCJMPDN-UHFFFAOYSA-N 441.509 4.429 5 20 IIBD CCOC(=O)Cn1ccc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)ccc21 550316132 SRXNMTVLRPKUAA-UHFFFAOYSA-N 435.358 4.384 5 20 IIBD O=[N+]([O-])c1ccc(OCc2nc(Cc3c(F)ccc(Br)c3F)no2)cc1 551066472 MKKFJJCIRPJARB-UHFFFAOYSA-N 426.173 4.188 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)N[C@H]1CCCc2sc(Cl)cc21 551255204 SHDCPFSDZVDXBG-JTQLQIEISA-N 445.831 4.043 5 20 IIBD C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)CCOc1ccccc1[N+](=O)[O-] 552837841 ZQXVWXTWMAFZCU-LIRRHRJNSA-N 438.402 4.371 5 20 IIBD Cc1cc(N2CCCCCC2)ccc1NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 553297746 JYORAWXQFXEIFN-UHFFFAOYSA-N 438.528 4.373 5 20 IIBD CC(C)c1nc(Cn2cc(C(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])ccc2=O)cs1 553709413 IJESLEHRVKNMJI-UHFFFAOYSA-N 440.525 4.050 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@](F)(c3ccccc3F)C2)c(C(F)(F)F)c1 554913814 LVGWMXNNTDVCBK-INIZCTEOSA-N 436.358 4.012 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(C(=O)c2cc3occc3s2)CC1 562805156 AOGNMFYXOQWHGZ-UHFFFAOYSA-N 434.861 4.046 5 20 IIBD COc1ccc([C@H](Cc2ccccc2)NC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1 564498309 NTPYUBJUDBAPHJ-NRFANRHFSA-N 447.491 4.259 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1cc(Br)ccc1F 571947932 ULXGANPPEMNHBM-SECBINFHSA-N 431.645 4.234 5 20 IIBD O=C(Nc1cc(F)c(Br)c(Cl)c1)c1cc([N+](=O)[O-])ccc1SCCO 574780759 ZZZANFKCKKBQSQ-UHFFFAOYSA-N 449.685 4.487 5 20 IIBD CCC[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C 576295168 CBEPULWCSDVFKI-GXTWGEPZSA-N 426.311 4.079 5 20 IIBD O=[N+]([O-])c1ccccc1Sc1ccccc1-c1nc(-c2cccnc2-n2cncn2)no1 577798310 JHGAAJGHILTKAP-UHFFFAOYSA-N 443.448 4.439 5 20 IIBD Cn1nc([N+](=O)[O-])cc1-c1nc(-c2ccc(Oc3ccccc3C(F)(F)F)nc2)no1 580799949 QUSXGCBQSWACPO-UHFFFAOYSA-N 432.318 4.251 5 20 IIBD COc1ccc(F)cc1-c1csc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)n1 603672607 OTEBBLXYSGWLFB-UHFFFAOYSA-N 439.428 4.304 5 20 IIBD Cc1nc(C)c(-c2csc(NC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)n2)s1 603770221 WWHOCMVKXQVRNW-UHFFFAOYSA-N 426.483 4.230 5 20 IIBD COc1cc(CCNC(=O)N(C)[C@H](C)c2cc3ccccc3o2)c([N+](=O)[O-])cc1OC 603801944 GGOFWLFYMYPNPT-CQSZACIVSA-N 427.457 4.303 5 20 IIBD CCOc1ccc(Oc2ccc(NC(=O)C(=O)NCc3cccc([N+](=O)[O-])c3)cc2)cc1 604475490 MPURZJFQFBATHE-UHFFFAOYSA-N 435.436 4.041 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)C[C@H]1CCCO[C@H]1c1ccccc1 604520733 IRQXCXQZIUFYBD-JPYJTQIMSA-N 427.501 4.032 5 20 IIBD CSCCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2I)cc1 609013970 BWLAGNJLXMHPRZ-UHFFFAOYSA-N 442.278 4.357 5 20 IIBD CCOc1ccc(OC)cc1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 609221563 LLMODEGIBUKSLL-NSHDSACASA-N 427.379 4.460 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ccc(OCc2ccccc2)cc1 609393932 DYQFYDVQHZUIEI-UHFFFAOYSA-N 439.855 4.196 5 20 IIBD O=C(NCCCc1ccc(O)cc1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 609885067 AZIWIQOZLVJUQQ-UHFFFAOYSA-N 435.267 4.156 5 20 IIBD CCOC(=O)c1ccnc(N2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)c1[N+](=O)[O-] 609964518 OVEUYRNYSPHBCI-MRXNPFEDSA-N 437.500 4.481 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1C 610800167 LQURODVVBRVHAI-GHMZBOCLSA-N 448.385 4.399 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(OCc3ccccc3)nc2)no1 612912015 MENKZBXDUQYEMR-HNNXBMFYSA-N 445.435 4.110 5 20 IIBD CN(CC(=O)N1CCCC1)C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 613443310 ZRXOSQQQOGJAFX-UHFFFAOYSA-N 433.917 4.094 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1csc(C(C)(C)C)n1 726500042 QWFYOZFJBDSSEG-UHFFFAOYSA-N 429.502 4.450 5 20 IIBD O=C1CN(CN2CCC(c3cccc4ccccc34)CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 726590278 VVLIAIPJQMBDPA-UHFFFAOYSA-N 444.491 4.354 5 20 IIBD C[C@@H](OC(=O)c1csc(Cc2ccc(F)cc2)n1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 727018630 FFZQQVSHUYNCBL-LLVKDONJSA-N 447.419 4.104 5 20 IIBD O=C(Nc1cc(F)ccc1N1CCCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 727030749 XCRIVOBBJZESGI-UHFFFAOYSA-N 427.480 4.078 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCSCC3)c(C)c2)cc1SC 728473386 PAMAJGPQVNPPBF-UHFFFAOYSA-N 433.555 4.439 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)c2ccc(OC(F)F)cc2)cc1SC 728650171 DNCOFLDPQSBVGO-SNVBAGLBSA-N 441.408 4.355 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N(Cc1ccc2c(c1)OCO2)c1ccccc1 729853783 LHOXDCFOUBFCRW-UHFFFAOYSA-N 446.868 4.372 5 20 IIBD O=C(O[C@H](c1ccc(Cl)cc1)c1cccnc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 730428713 KCRNQYYETNUAQS-HXUWFJFHSA-N 435.827 4.170 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3nc(-c4cccc(F)c4)no3)cc2)c1 731805833 FVAWHGIKWLUPFW-UHFFFAOYSA-N 440.412 4.252 5 20 IIBD CC(C)c1ocnc1C(=O)O[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 732385914 HUNKVVLQCMDLHG-LLVKDONJSA-N 430.442 4.014 5 20 IIBD CC(C)(C)OC(=O)Nc1ccccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 732524798 LWEHWDSFLZLJJM-UHFFFAOYSA-N 427.866 4.396 5 20 IIBD Cc1sc(NC(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)nc1-c1cccc([N+](=O)[O-])c1 732635126 XCQQFCAYPQZYQZ-KRWDZBQOSA-N 444.419 4.437 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1cc2cc([N+](=O)[O-])ccc2o1 733449694 KRQZCJCYPRHFSQ-MRXNPFEDSA-N 434.326 4.322 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H]1CC(c2c(F)cccc2F)=NO1 735990565 XASCFULSHYQMFA-INIZCTEOSA-N 430.392 4.128 5 20 IIBD C[C@@H](OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 736865139 FANCGIQRZIIVRH-RXMQYKEDSA-N 438.692 4.128 5 20 IIBD Cc1csc(-c2cccc(C(=O)OCC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])c2)n1 740407648 PHXFQQHBONILLK-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD O=C(COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(OC(F)F)cc1 745565931 XOXZYSSVNZKGCH-UHFFFAOYSA-N 434.273 4.011 5 20 IIBD CC[C@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 745943958 MBIUPBYQKZHMGI-QMMMGPOBSA-N 429.829 4.153 5 20 IIBD O=C(CC1(O)CCCCC1)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 746107091 YYCZSPCAMLBYDQ-UHFFFAOYSA-N 432.860 4.491 5 20 IIBD CC(C)(CCO)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 746223443 FCGCHZKGNXTOMJ-UHFFFAOYSA-N 439.556 4.192 5 20 IIBD COC(=O)c1ccc([C@H](OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C(F)(F)F)cc1 747210256 MJKGPXIFBKNOPU-HNNXBMFYSA-N 442.302 4.058 5 20 IIBD CNC(=O)c1cc(Oc2cc(C)ccc2NC(=S)Nc2ccc([N+](=O)[O-])cc2)ccn1 749007198 NVZZCDGYXALNGN-UHFFFAOYSA-N 437.481 4.259 5 20 IIBD CCCN1CCC[C@H]1C(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 749563876 TVWRJDZTHFRKEM-IBGZPJMESA-N 431.876 4.280 5 20 IIBD Cc1ccc(-n2c(SC[C@@H](O)c3cccc([N+](=O)[O-])c3)nnc2N2CCCCC2)cc1 749667514 YLDCHFHJVNFOPP-HXUWFJFHSA-N 439.541 4.300 5 20 IIBD CC(C)(O)COc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cc1 750900636 RIGYFZQNJFYNNW-UHFFFAOYSA-N 443.681 4.413 5 20 IIBD COc1ccc(CC(=O)N(Cc2ccccc2)C[C@]2(O)CCc3ccccc32)cc1[N+](=O)[O-] 752461304 KZCZRBWWRNWJAK-AREMUKBSSA-N 446.503 4.009 5 20 IIBD O=[N+]([O-])c1cccc(-c2ncn(CN(Cc3csc(Br)c3)C3CC3)n2)c1 752801747 YEPJPXDYJGBPON-UHFFFAOYSA-N 434.319 4.299 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]1c1ccccc1Br 755631848 JEXYLZRGEPUZEI-QGZVFWFLSA-N 429.274 4.071 5 20 IIBD CCOc1cc(C(=O)O[C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC 755864994 DPLKAHBLZGRXAB-WMZOPIPTSA-N 428.485 4.070 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1c[nH]nc1-c1ccccc1Cl 756604285 GLNOXIFYUWLBOD-UHFFFAOYSA-N 425.788 4.045 5 20 IIBD Cc1cc(F)cc(C(=O)Nc2cccc(CS(=O)(=O)c3ccccc3)c2)c1[N+](=O)[O-] 758483024 KQYBYSOCAWUNPM-UHFFFAOYSA-N 428.441 4.269 5 20 IIBD CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1Br 758694726 YJOYAAPBEDRJAN-OAHLLOKOSA-N 449.301 4.040 5 20 IIBD Cc1c(C(=O)Nc2nnc([C@@H]3CCCc4ccccc43)s2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 762511567 HSTPKOLJYBGXNO-OAHLLOKOSA-N 439.453 4.383 5 20 IIBD COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(I)c1 765023349 NQYLBIAXDYZTHN-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](CCN2CCCC2=O)c2ccccc21 765076847 HPBINAHRCNXZCZ-UXHICEINSA-N 435.524 4.306 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccccc2OC(F)(F)F)c(Br)c1 767244966 RJPOSLSEVLCFEJ-UHFFFAOYSA-N 442.165 4.024 5 20 IIBD O=C(c1cc(F)cc2cccnc12)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 767338487 FTAXSXQJHSEPKH-UHFFFAOYSA-N 448.376 4.263 5 20 IIBD NC(=O)c1ccc(SCC(=O)OCc2ccc(-c3ccsc3)cc2)c([N+](=O)[O-])c1 768487980 NJDLROPJVFZCCJ-UHFFFAOYSA-N 428.491 4.258 5 20 IIBD C[C@@H](CCSc1ccccc1)OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 770027151 XCLMAMUCPLDXPE-GOEBONIOSA-N 434.539 4.375 5 20 IIBD C[C@H](NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)[C@@H](O)c1c(Cl)cccc1Cl 771716326 LOWMLVBRWCPLOW-NIVTXAMTSA-N 436.251 4.007 5 20 IIBD Cc1ccc(Br)nc1C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1 773472992 XLMANPSGLJRLCQ-UHFFFAOYSA-N 430.052 4.180 5 20 IIBD COC(=O)[C@@](C)(NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)c(Cl)c1 776402271 FYXIKWYJDVUGQM-KRWDZBQOSA-N 431.659 4.373 5 20 IIBD C[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)Cc2ccccc2F)c1 776606409 WSRAFXFWMIXJIG-QMHKHESXSA-N 437.471 4.299 5 20 IIBD COc1ccc(-c2nc(C(=O)O[C@H]3CCN(c4ccc([N+](=O)[O-])cc4F)C3)cs2)cc1 778800395 XRDGFVSDJLBXLH-INIZCTEOSA-N 443.456 4.302 5 20 IIBD COc1ccc([N+](=O)[O-])cc1OC(=O)c1coc(-c2ccc(Br)cc2F)n1 779197641 ZFCZHHNOEPRLEU-UHFFFAOYSA-N 437.177 4.379 5 20 IIBD Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 781626750 MBSGORXGHYPDNP-OAHLLOKOSA-N 446.891 4.040 5 20 IIBD O=C(COC(=O)c1cccc([N+](=O)[O-])c1Br)Nc1c(Cl)cccc1Cl 781677493 HWUJCMNIGOOBES-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD COc1ccc(NC(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1[N+](=O)[O-] 782814071 HJBVNXODNPRFMA-UHFFFAOYSA-N 447.447 4.081 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 783304595 PEQKJZNGQHHDAT-IBGZPJMESA-N 427.819 4.232 5 20 IIBD CCN1C(=S)N[C@H](c2scnc2C2CC2)C(C(=O)Nc2cccc([N+](=O)[O-])c2)=C1C 783654508 OMKHOGUTVAVISZ-KRWDZBQOSA-N 443.554 4.093 5 20 IIBD CC1(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCN(C(=O)OC(C)(C)C)CC1 784378001 HCSVRJSGGLHEKB-UHFFFAOYSA-N 440.928 4.085 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccc(F)nc1 785636792 IZVONPUAVKBXTB-GOSISDBHSA-N 429.791 4.319 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H](O)c1c(F)cccc1Cl 786413150 LWTIHVOUKACFKT-XXFAHNHDSA-N 445.672 4.310 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)OCc1cn2cc(Cl)cc(Cl)c2n1 786782621 HZDJVCRUSUBVHC-UHFFFAOYSA-N 447.234 4.220 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)OCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1F 787941297 YWJKQQZNFPPMNZ-SNVBAGLBSA-N 429.231 4.383 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@H](C)c2cccc(Cl)c2)c(C)c1[N+](=O)[O-] 790829423 IQMDBSJYCGJORD-GFCCVEGCSA-N 427.866 4.155 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Oc1ccc(-c2noc([C@H]3CCCO3)n2)cc1 790903300 YYLLDQIQOCBJKX-QGZVFWFLSA-N 447.806 4.437 5 20 IIBD Cc1c(Br)cccc1CC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 791504683 GXAVWUYTSYHAGV-UHFFFAOYSA-N 441.665 4.044 5 20 IIBD Cc1nc2ccccc2n1C1CCN(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 797214299 BRGCSJGZWKCITP-UHFFFAOYSA-N 443.301 4.493 5 20 IIBD Cc1nn(C)c(C)c1[C@@H](OC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])C(F)(F)F 798246231 GCAXUFTWALFWCY-GOSISDBHSA-N 434.374 4.468 5 20 IIBD O=C(COC(=O)c1ccc(Oc2ccccc2)cn1)Nc1cc([N+](=O)[O-])ccc1Cl 799554232 MXKOOQUVBUIERB-UHFFFAOYSA-N 427.800 4.231 5 20 IIBD CCOc1ccc(Br)cc1S(=O)(=O)Nc1c(F)ccc([N+](=O)[O-])c1C 800052174 JZLBXCVOVRPZNP-UHFFFAOYSA-N 433.255 4.004 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1 800633654 HGJZDPLTVYRRJM-UHFFFAOYSA-N 439.365 4.195 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1 801736160 XQLLQUZHBBTHPS-UHFFFAOYSA-N 428.489 4.326 5 20 IIBD O=C(COC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 801896963 BHVFKYMXOWLUGZ-HNNXBMFYSA-N 434.729 4.460 5 20 IIBD O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)c1cccc([N+](=O)[O-])c1Br 802600682 AYYTVYPTQFNFFL-UHFFFAOYSA-N 444.207 4.488 5 20 IIBD O=C(N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1cc(Cl)ccc1[N+](=O)[O-] 809028754 FVOXPWQASJVELN-SFHVURJKSA-N 428.794 4.399 5 20 IIBD COc1ccc([C@@H]2CCCN2S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)cc1 809387600 IRWHOGSAANDKSW-AWEZNQCLSA-N 431.297 4.436 5 20 IIBD CC(C)(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810361808 MRQFHVDQARZXLZ-UHFFFAOYSA-N 448.317 4.371 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Oc3ccc(-c4nncs4)cc3)cc2)c(C)c1[N+](=O)[O-] 810820800 VTLPQOPQFCENHT-UHFFFAOYSA-N 435.465 4.194 5 20 IIBD CCOc1ccc([C@H](O)C2CCN(C(=O)c3cc(SC)ccc3[N+](=O)[O-])CC2)cc1 812666064 HYRKTTVCMHBGBN-NRFANRHFSA-N 430.526 4.301 5 20 IIBD C[C@](O)(C(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CCC1 812680558 ZIHHHDXHKFYIHA-GHTZIAJQSA-N 432.860 4.022 5 20 IIBD O=C(Nc1ccc(CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1)c1cccnc1 812955414 HPVWDDRGYSATGG-UHFFFAOYSA-N 445.262 4.479 5 20 IIBD CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c2ccccc21 813278998 AVNFGKGMFXIKIU-UHFFFAOYSA-N 449.467 4.182 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 814429598 WUANPFVNBFXFOD-DLBZAZTESA-N 447.532 4.103 5 20 IIBD C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(N2CCCOC2=O)cc1 817290725 GSNVPVVVXADKRT-LBPRGKRZSA-N 448.273 4.195 5 20 IIBD CCN(c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2nc[nH]n2)cc1)C(C)C 821955279 GSEXTTZPLJJIQO-UHFFFAOYSA-N 426.502 4.351 5 20 IIBD CCN(Cc1ccccc1)C(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 823259708 PIMZKGZDMNYSKJ-GOSISDBHSA-N 439.512 4.179 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)COc2c(Cl)cccc2Cl)cccc1[N+](=O)[O-] 855152382 IHFYZGAOCGPKKO-LLVKDONJSA-N 427.240 4.159 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N(Cc1ccccc1C(F)(F)F)C1CC1 914487470 MZPUOLKOQBENIY-UHFFFAOYSA-N 449.429 4.255 5 20 IIBD CSc1nc2ccc(NC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2s1 915312226 NNSZBGDCAXAYGK-UHFFFAOYSA-N 429.527 4.281 5 20 IIBD C[C@H](OC(=O)c1[nH]c2ccccc2c1Br)C(=O)Nc1ccc([N+](=O)[O-])cc1 915510008 VKLABWNSWPKLJY-JTQLQIEISA-N 432.230 4.023 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=S)NC3CCCCC3)cc2)cc1[N+](=O)[O-] 916120172 WBEYFRWENOTIFJ-UHFFFAOYSA-N 448.570 4.323 5 20 IIBD CC[C@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1OC(F)F 916495349 LXTLKUFUOJHTTH-SFHVURJKSA-N 434.443 4.179 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)CSc2cc(Cl)ccc2Cl)cc([N+](=O)[O-])c1C 916773359 OYQYAIOIHRQWNE-UHFFFAOYSA-N 449.337 4.116 5 20 IIBD CCN(Cc1cccc(NC(=O)COc2ccccc2[N+](=O)[O-])c1)C(=O)OC(C)(C)C 918104430 OPLDEGRCBXCMKP-UHFFFAOYSA-N 429.473 4.369 5 20 IIBD Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)on2)cc1 919101376 AJLCCXQGJQGTKE-GFCCVEGCSA-N 429.816 4.396 5 20 IIBD CC(C)(CCNC(=O)c1cc([N+](=O)[O-])ccc1I)c1ccccc1 919996461 YZLBPERHTPPANH-UHFFFAOYSA-N 438.265 4.297 5 20 IIBD Cc1ccccc1[C@H](C)NC(=O)[C@H](C)OC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 920780346 YUIAFFFRFJZMRN-KKUMJFAQSA-N 434.876 4.133 5 20 IIBD O=C(CNS(=O)(=O)c1ccc(Cl)cc1)OCc1nc2ccccc2c2ccccc12 921249870 HKLABHZJZYKPNN-UHFFFAOYSA-N 440.908 4.063 5 20 IIBD Cc1ccc(Cn2ncc3c(C(=O)OCC(=O)c4ccc([N+](=O)[O-])cc4)cc(C)nc32)cc1 1115817785 OXDYUZLZYIYVRX-UHFFFAOYSA-N 444.447 4.044 5 20 IIBD COc1cc(N2CCC(OC(=O)c3csc(-c4ccco4)n3)CC2)ccc1[N+](=O)[O-] 1122407050 RXHYXTRFMAKGEP-UHFFFAOYSA-N 429.454 4.146 5 20 IIBD CCOc1ccc(CN(C)C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1OC 1319441108 DMDUJUAXNWZWAX-UHFFFAOYSA-N 437.290 4.345 5 20 IIBD CS(=O)(=O)c1cc(SCc2ccc(OCc3ccccn3)cc2)ccc1[N+](=O)[O-] 1320124586 XWJGCIIKFLNTAJ-UHFFFAOYSA-N 430.507 4.265 5 20 IIBD O=C(NCCCCOc1ccccc1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 1342155720 DSIFPLHSVXXCPT-UHFFFAOYSA-N 448.317 4.284 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])NC1(c2ccc(NC(=O)c3ccno3)cc2)CCC1 1787372559 QEIHFVXGJVUFAR-IZZDOVSWSA-N 432.436 4.044 5 20 IIBD Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ocnc4C)cc3)CCC2)cc1[N+](=O)[O-] 1787475229 KGKQZTGWDXJVOL-UHFFFAOYSA-N 448.479 4.190 5 20 IIBD C[C@H]1C[C@]1(C)C(=O)Nc1ccc(C2(NC(=O)c3cc([N+](=O)[O-])cc4c3OCC4)CCC2)cc1 1790427319 PLWDOFULYOKAQI-OWJWWREXSA-N 449.507 4.324 5 20 IIBD O=C(/C=C/c1ccco1)NC1(c2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc2)CCC1 1790755561 ZXFFSYGKZBBNII-CMDGGOBGSA-N 447.447 4.355 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])[nH]n1)[C@@H]1C[C@H]1C1CC1 1814762634 FSJRXPRXMXBMHI-KVWRDYLNSA-N 449.511 4.070 5 20 IIBD C/C=C/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(F)ccc([N+](=O)[O-])c2C)[nH]n1 1821915596 SCMDHLQYRQZYPH-VGTMYVJWSA-N 441.463 4.204 5 20 IIBD O=C(C1CCCC1)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830494030 UGXJDMDMLBAMSJ-OAQYLSRUSA-N 431.508 4.157 5 20 IIBD CC1(C)CCC(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1847654668 HBGWOVODHZUWHW-LWHVHZMOSA-N 429.517 4.009 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Sc2nc(/C=C/c3ccccc3)n[nH]2)c([N+](=O)[O-])c1 12837066 FDPKZEXSYHCUDB-YKWSONSWSA-N 425.470 4.011 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Oc1ccc(C(=O)c2ccccc2)cc1 18078941 SMIXCQBJVXEVGY-UHFFFAOYSA-N 446.415 4.120 5 20 IIBD O=[N+]([O-])c1ccc(Sc2nnc(-c3ccccc3)n2Cc2ccc3c(c2)OCO3)nc1 23615183 GYGHJMFAIDKUDF-UHFFFAOYSA-N 433.449 4.177 5 20 IIBD CC(C)c1ccc(CN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C2CC2)cc1 24377015 OLYWBMWUJLBXCR-UHFFFAOYSA-N 427.526 4.100 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)Nc1c(Cl)cccc1Cl 28612461 HDSFNUMBUYHUFT-UHFFFAOYSA-N 438.267 4.297 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N[C@@H]3CCc4nc(C)ncc4C3)cc2[N+](=O)[O-])cc1 30779984 QGBSIJICPWCYCY-GOSISDBHSA-N 434.521 4.440 5 20 IIBD C[C@@H]1CCCN(Cc2ccccc2CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 60475206 TVGPNXHDVQGQSD-LJQANCHMSA-N 436.556 4.357 5 20 IIBD O=C(NCc1cccc(NC(=O)C2CCC2)c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 64907951 BZFMHHFTFWGXQL-UHFFFAOYSA-N 436.493 4.387 5 20 IIBD Cc1nc(C)c([C@H](C)N(C)C(=O)c2ccc([N+](=O)[O-])cc2I)s1 78609443 XMIMCUDZHSISCI-VIFPVBQESA-N 445.282 4.106 5 20 IIBD CCOc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)cc1[N+](=O)[O-] 116494055 VVPPFPRGHRLEIY-MRXNPFEDSA-N 440.431 4.202 5 20 IIBD O=[N+]([O-])c1cc(I)ccc1NCc1cccc(Cn2ccnc2)c1 301063126 BHVXKHLZAUBQQL-UHFFFAOYSA-N 434.237 4.056 5 20 IIBD Cc1cc(N[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)ncc1[N+](=O)[O-] 301443516 PRZNGQVVIKPRQM-HXUWFJFHSA-N 433.436 4.181 5 20 IIBD C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)Nc1ncc(Br)cc1[N+](=O)[O-] 301748251 RWPAMKRWVNESJA-CYBMUJFWSA-N 448.321 4.182 5 20 IIBD CCCN([C@@H](C)CC(=O)Nc1ccccc1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 409895732 LUPPNQDSISJZJY-AWEZNQCLSA-N 439.921 4.066 5 20 IIBD COc1c(Cl)cc(Cl)cc1CN[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)O 426737264 NFZDNNGTCWBOKH-QGZVFWFLSA-N 438.267 4.177 5 20 IIBD COc1cccc([C@H](CC(=O)O)NCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)c1 426797843 GVRYVECXWDTDBP-IBGZPJMESA-N 426.425 4.178 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(C)cc1Sc1nnc(COc2cc(C)ccc2C)o1 429215949 NTHQBDMRLUTFOK-UHFFFAOYSA-N 429.454 4.420 5 20 IIBD COc1ccc(CN2CCOC[C@@H](C3CCC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 430169130 SORPWNAANBKHJC-NRFANRHFSA-N 426.513 4.431 5 20 IIBD CCSc1cccc(NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1 430318757 URNRHPPCCJIANQ-UHFFFAOYSA-N 438.303 4.355 5 20 IIBD C[C@H](Cc1ccc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)C(=O)O 432003933 VPRAUJRRWSCDQK-GFCCVEGCSA-N 439.390 4.318 5 20 IIBD CCc1cnc(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)s1 435845421 LSYPLJAEPCQLAP-UHFFFAOYSA-N 448.551 4.081 5 20 IIBD COc1cc([C@@H](C)NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc(OC)c1OC 436109750 QXGWHRQYIRWDGA-CQSZACIVSA-N 432.476 4.198 5 20 IIBD C[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@H](OC1CCOCC1)c1ccccc1 437342806 GXHBGKLVWYRMMS-MWTRTKDXSA-N 439.512 4.224 5 20 IIBD CC(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 438758701 PAYJWOHUOORBOY-UHFFFAOYSA-N 438.676 4.314 5 20 IIBD COC[C@H]1CN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C[C@@H](C)O1 439953172 WETJLHNFJAZEOY-UKRRQHHQSA-N 436.917 4.275 5 20 IIBD COc1cc(-c2noc(CN(Cc3ccccc3[N+](=O)[O-])C3CC3)n2)ccc1OC(F)F 441267782 WETAYRKSFMZJTB-UHFFFAOYSA-N 446.410 4.419 5 20 IIBD Cc1cncc(N(Cc2ccc(F)cc2)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c1 441389611 WRWQGKIIMJQCCD-UHFFFAOYSA-N 431.427 4.470 5 20 IIBD CN(C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[C@@H]1CCCN(Cc2ccccc2)C1 444097456 BLZTZFMQXHFXCY-OAQYLSRUSA-N 425.532 4.418 5 20 IIBD C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444316791 NHPRIOYURZXTCN-AOMKIAJQSA-N 429.495 4.071 5 20 IIBD COc1ccc(NC(=O)NC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1[N+](=O)[O-] 444937623 RHBMJHZRRORBGX-UHFFFAOYSA-N 439.390 4.450 5 20 IIBD COc1ccc2cc([C@@H](C)c3nc(CC(=O)NCc4ccc([N+](=O)[O-])cc4)no3)ccc2c1 445727466 UXBRELAUOIKXOE-OAHLLOKOSA-N 446.463 4.150 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)NCC1(c2ccc(Br)cc2)CCOCC1 446159407 XNDUXNJFEDHASV-UHFFFAOYSA-N 447.329 4.155 5 20 IIBD COc1cccc(-c2nn(C(C)(C)C)cc2CNCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 446850022 UEYXLFFHOZVOMJ-UHFFFAOYSA-N 434.500 4.388 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CCn2c(cc3c(Cl)cccc32)C1 447816117 IVTONSYUFFROJV-UHFFFAOYSA-N 426.904 4.055 5 20 IIBD O=C(Nc1ccc(NC(=O)c2ccccc2)nc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 460286405 FIBVUPYQRFQUHU-UHFFFAOYSA-N 431.452 4.095 5 20 IIBD CC(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)[C@@H](C)c1ccc(-n2cncn2)cc1 460588563 WBMJRMJRPPBJOC-KRWDZBQOSA-N 446.515 4.287 5 20 IIBD Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)n1 461605367 RNNHVBGYRUTGFQ-SFHVURJKSA-N 433.512 4.489 5 20 IIBD O=C(c1ccccc1)C1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 462439532 GTXMUJKDMHMEPT-UHFFFAOYSA-N 443.308 4.185 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCOC(C)(C)C2)cc1OC 462612835 CUEXABIVTSQEDY-GOSISDBHSA-N 441.528 4.426 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN([C@@H](C)c2cccc(OC)c2)CC1 462983398 BVMSPKWFYSGXEJ-AZUAARDMSA-N 425.529 4.078 5 20 IIBD C[C@H](O)CCN(C)C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 464744393 JASWPNOYHABHDU-SUCHYCSPSA-N 425.510 4.365 5 20 IIBD O=C(C[C@@H]1CCCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccco1 467303086 SERIHSMMAZHPPX-ZDUSSCGKSA-N 426.878 4.048 5 20 IIBD CC(C)CO[C@H]1CCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 468796530 CMLRJJAEIJSQGZ-INIZCTEOSA-N 445.903 4.388 5 20 IIBD Cc1coc(-c2ccc(C)c(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)n1 470145450 VFPZPJKOTHSLDG-NRFANRHFSA-N 448.479 4.418 5 20 IIBD Cc1cccc(CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)Cc2ccccn2)c1 471168484 JSYGSVFISWOTHG-UHFFFAOYSA-N 432.480 4.299 5 20 IIBD Cc1ccn(CC(=O)N(Cc2ccccc2)c2nc3c(C)cccc3s2)c(=O)c1[N+](=O)[O-] 471524957 DKKRYQMLCRUWOS-UHFFFAOYSA-N 448.504 4.216 5 20 IIBD COCCC1(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCC1 472187041 IVLCXSPNMBJSCI-UHFFFAOYSA-N 443.466 4.153 5 20 IIBD C[C@H](CCNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)N(C)Cc1ccccc1 473027334 ZBZDMXRGFTVTSD-LJQANCHMSA-N 440.544 4.058 5 20 IIBD C[C@H](NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccc([N+](=O)[O-])cc1 474413284 OQGWPJNGMODHSK-HNNXBMFYSA-N 429.473 4.386 5 20 IIBD C[C@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)cn1 474669082 PJIQXZWOCWDSQL-JTQLQIEISA-N 427.686 4.009 5 20 IIBD C[C@@H](NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)c1ncnn1C 475782184 QKHYVMABXBXIND-DSQDWWTGSA-N 448.508 4.141 5 20 IIBD C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)c2ccccc2N(Cc2ccccc2)C1=O 477751228 QQKFWWILDIISNW-QGZVFWFLSA-N 447.466 4.493 5 20 IIBD O=C(NCc1csc(-c2ccco2)n1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 479578673 LSZXJOPYUXWTPV-UHFFFAOYSA-N 428.470 4.064 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc2c(c1)NC(=O)CO2 481770460 NOBFUIBKKDAYEG-ZDUSSCGKSA-N 429.498 4.165 5 20 IIBD COC(=O)c1cc(OCc2csc(-c3ccc(OC)c(OC)c3)n2)ccc1[N+](=O)[O-] 481896285 FFSFYHUVSQUWOH-UHFFFAOYSA-N 430.438 4.101 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 483126264 YQQJKIIKTPSQTR-CYBMUJFWSA-N 448.932 4.246 5 20 IIBD CCc1c(NC(=O)NCc2cc([N+](=O)[O-])ccc2OC)cnn1-c1ccc(Cl)cc1 485331936 PJGYJNVDPYTGFE-UHFFFAOYSA-N 429.864 4.327 5 20 IIBD O=C(Nc1nc2ccccc2n1CCCn1ccnc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 485356310 UDQSLCMSHAILRT-UHFFFAOYSA-N 445.483 4.058 5 20 IIBD CCNC(=O)c1ccc(CNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 486824351 RKFMZSFIHZIXLS-UHFFFAOYSA-N 435.505 4.426 5 20 IIBD O=[N+]([O-])c1cc(CNS(=O)(=O)Cc2ccc(F)c(Cl)c2)cc(C(F)(F)F)c1 487360091 FOPFYXKJBDCNAM-UHFFFAOYSA-N 426.775 4.026 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)C(C)(C)C)cc2)cc1OC 487942524 PPUBILLNJUGENW-UHFFFAOYSA-N 430.457 4.110 5 20 IIBD C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 488976625 XSWQRJPAMIAVPH-NSHDSACASA-N 445.829 4.128 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCS[C@@H]4COCC[C@@H]43)cc2[N+](=O)[O-])cc1 489022600 XTZQSIBAXWEOAU-FXAWDEMLSA-N 430.551 4.401 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 489182009 CDTQQSLDKHXKFC-CQSZACIVSA-N 443.978 4.076 5 20 IIBD C[C@@H](CO)N(C[C@H](C)c1ccccc1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 489468541 IQSGQNQCJDJSML-HOTGVXAUSA-N 425.510 4.345 5 20 IIBD CN(C)CCCOC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 490038287 ZCSWZOQARLIHEW-UHFFFAOYSA-N 443.569 4.319 5 20 IIBD CN(Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 490103256 GFGICTKICLGCCJ-UHFFFAOYSA-N 427.448 4.412 5 20 IIBD Cn1cc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)cc(Cl)c1=O 490587777 PXFFXZPPSGYXFO-UHFFFAOYSA-N 447.278 4.465 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cccc(COCc3ccco3)c2)cc1[N+](=O)[O-] 493959638 FJGDPMMPMWXAKF-INIZCTEOSA-N 437.452 4.029 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(COCc3ccccc3)cc2)cc1[N+](=O)[O-] 494078491 LBQPIALNBGQVCM-GOSISDBHSA-N 447.491 4.436 5 20 IIBD CC(C)Nc1cccc(F)c1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 498030479 HSGQGFOYSODWSQ-UHFFFAOYSA-N 432.271 4.118 5 20 IIBD C[C@]1(CN[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)CCOC1 500250658 AMKXIEWVZRWULA-UYAOXDASSA-N 448.317 4.053 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 502129059 SRPMFQYAUSCUQT-HNNXBMFYSA-N 435.415 4.081 5 20 IIBD COc1ccccc1NC(=O)c1ccc(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc1 505079247 BBMRGMQZRMARSF-UHFFFAOYSA-N 449.467 4.089 5 20 IIBD Cc1c(NC(=O)CCc2nnc(-c3cc(F)ccc3Br)o2)cccc1[N+](=O)[O-] 508768996 MBNLOMPSMIAHHZ-UHFFFAOYSA-N 449.236 4.426 5 20 IIBD COc1cc(-n2cccc2)c(Cl)cc1C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 508784347 HEXDXDAIYSKBEO-UHFFFAOYSA-N 443.843 4.461 5 20 IIBD O=C(NCCc1ccc(Br)s1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 510849727 BDDPIOYYXJUSLS-UHFFFAOYSA-N 436.234 4.384 5 20 IIBD C[C@@H](C(=O)Nc1ccc(Cl)c(F)c1N1CCOCC1)c1ccc([N+](=O)[O-])cc1F 512919277 BUEBMVNUNCOXPX-LLVKDONJSA-N 425.819 4.105 5 20 IIBD COc1cc(CNc2cccc3c2oc(=O)n3C)ccc1OCc1ccc([N+](=O)[O-])cc1 513501083 QQDLECRVXUINEI-UHFFFAOYSA-N 435.436 4.239 5 20 IIBD O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(Cc3cn4ccccc4n3)CC2)s1 515479663 AIJXODZLEMSSKH-UHFFFAOYSA-N 433.537 4.289 5 20 IIBD CC(C)NC(=O)c1ccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc1 515691917 JDDZQKVODYLIMB-IRXDYDNUSA-N 438.528 4.468 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)Nc1cccc(NC(=O)c2cccs2)c1 517595766 GERCLENZKMTQSQ-UHFFFAOYSA-N 426.454 4.109 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N(Cc3ccccc3)Cc3cc[nH]n3)cc2)c(C)c1[N+](=O)[O-] 518750540 UDKKRHKLHDXHNH-UHFFFAOYSA-N 444.495 4.022 5 20 IIBD CC(C)N(Cc1cc(Br)ccc1F)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 520156101 PBBGOGBMOPCNLD-UHFFFAOYSA-N 445.310 4.237 5 20 IIBD Cc1cc(COc2ccc(C(=O)NCc3ccc([N+](=O)[O-])cc3)cc2Br)no1 520684818 XBUDUXJDDHXIQJ-UHFFFAOYSA-N 446.257 4.163 5 20 IIBD O=C(NC1(c2cccc(Br)c2)CCOCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 521569945 UDSVVQKEKVHTPT-UHFFFAOYSA-N 444.285 4.274 5 20 IIBD C[C@H](NC(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1)c1cccc([N+](=O)[O-])c1 523523638 PTLYAZIENAHWER-GJZGRUSLSA-N 447.333 4.244 5 20 IIBD O=C(NCCCc1ccc(Br)cc1F)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 523848264 RVDOCZVBHQLOKD-UHFFFAOYSA-N 447.264 4.045 5 20 IIBD CCOC(=O)c1ccnc(Oc2ccc(NC(=O)c3ccccc3OC)cc2)c1[N+](=O)[O-] 524104541 ADYQJUCBOJSVJI-UHFFFAOYSA-N 437.408 4.220 5 20 IIBD O=C(NCCOc1ccccc1-c1ccccc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 524450605 SUROJCLIVQWDJH-UHFFFAOYSA-N 428.448 4.256 5 20 IIBD Cc1cc(Br)cc2c1N(C(=O)c1ccn(-c3ccc([N+](=O)[O-])cc3)n1)CCC2 524456561 ATUALCIISKUGTC-UHFFFAOYSA-N 441.285 4.444 5 20 IIBD CC(C)(C)c1csc(CNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 524711953 TYQACBUVXXQNLN-UHFFFAOYSA-N 430.452 4.486 5 20 IIBD Cc1ccc(NC(=O)c2cc3ccccc3c3cccnc23)cc1S(=O)(=O)NC1CC1 525374691 VXHUXYRBCOKEDQ-UHFFFAOYSA-N 431.517 4.389 5 20 IIBD COCC[C@H](Cc1cccc(Br)c1)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] 525472208 BQVAENYMURMJAE-MRXNPFEDSA-N 435.318 4.211 5 20 IIBD Cc1cc(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1C(=O)OC(C)(C)C 527427440 SOJCOZJNIFOTHC-UHFFFAOYSA-N 433.848 4.089 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)N1CCC(n2ccnc2)CC1 530711321 SHUMXFGXOCPVLD-OAQYLSRUSA-N 439.903 4.462 5 20 IIBD COc1ccc(C(=O)N2CCC[C@@H](C(=O)N(C)c3cccc([N+](=O)[O-])c3)C2)c2ccccc12 532827111 IBDMLQUKLXCQMZ-QGZVFWFLSA-N 447.491 4.272 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC2(CCN(Cc3ccccc3)C2)CC1 534250308 WYJVOPXUVADOGW-UHFFFAOYSA-N 427.932 4.305 5 20 IIBD C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 535461060 VQSHLUQIWLNWBK-IYBDPMFKSA-N 434.496 4.375 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[C@H](OCc2ccccn2)C1 535510723 KUUFZKZGASBEEX-HNNXBMFYSA-N 429.274 4.096 5 20 IIBD O=C(NCCc1cccs1)C1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 535592216 CJKQCAGWBDCBDX-UHFFFAOYSA-N 436.537 4.294 5 20 IIBD Cc1cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)nn1-c1cccc(F)c1 537331015 UGRSLFSAPWJKHD-UHFFFAOYSA-N 426.451 4.427 5 20 IIBD COc1cc(CN2CC[C@H](C3CCOCC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 537619769 JDUCYCMBOBOPPG-FQEVSTJZSA-N 426.513 4.431 5 20 IIBD C[C@H](c1ccc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])cc1)N1CCOCC1 539447749 BPGVGUAZWLPWJY-QGZVFWFLSA-N 432.480 4.302 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 540239352 HFFYJWWAVKTHFY-VOJFVSQTSA-N 432.274 4.345 5 20 IIBD C[C@H](c1ccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCOCC1 544077496 VZKPVLVCNXBOMY-CQSZACIVSA-N 435.933 4.372 5 20 IIBD Cc1nnnn1-c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)c1 544431713 VUOUUVQKYIBOBW-UHFFFAOYSA-N 438.513 4.414 5 20 IIBD Cc1c(Cc2noc(-c3ccc(OCC(F)(F)C(F)F)nc3)n2)cccc1[N+](=O)[O-] 545784478 DBMQWCGKOXZFBA-UHFFFAOYSA-N 426.326 4.218 5 20 IIBD COc1ccc(-c2nnc(SCc3nc(-c4ccc(C)c([N+](=O)[O-])c4)no3)o2)cc1 546270152 XJCMNDLZQRAMLN-UHFFFAOYSA-N 425.426 4.304 5 20 IIBD O=[N+]([O-])c1ccc2[nH]nc(-c3nc(Cc4ccc(OCc5ccncc5)cc4)no3)c2c1 546331109 VKAROSIQMUWYEQ-UHFFFAOYSA-N 428.408 4.086 5 20 IIBD Cc1c(Cc2nc(-c3ccc(N(C)C(=O)c4ccncc4)cc3)no2)cccc1[N+](=O)[O-] 546423342 STMXQANDVWTFEJ-UHFFFAOYSA-N 429.436 4.216 5 20 IIBD CC(=O)c1cccc(OCc2cc(-c3nc(Cc4ccc([N+](=O)[O-])c(C)c4)no3)no2)c1 547263172 PVAMQUXCWSOHMY-UHFFFAOYSA-N 434.408 4.314 5 20 IIBD O=C(Nc1ccc(CC(F)(F)F)cc1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 551476324 UJMMWPOBBBODPC-UHFFFAOYSA-N 446.179 4.039 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@H](CO)c3ccc(F)cc3)cc2[N+](=O)[O-])n1 552329770 DVTAJYGVPSQLHT-OAHLLOKOSA-N 433.486 4.113 5 20 IIBD CC(C)c1ccc(Cn2nccc2NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 554985049 FNLYUTXHLNMKTC-UHFFFAOYSA-N 435.484 4.390 5 20 IIBD COc1cc(CN2CCC[C@](CO)(C(C)C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 560618384 CNCUDRLMKHLKCQ-DEOSSOPVSA-N 428.529 4.413 5 20 IIBD COCCNC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c1 569637277 ICFUEDKRCXJTHL-UHFFFAOYSA-N 435.436 4.016 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 572769757 RDQXJXVOTVRGKP-AWEZNQCLSA-N 431.880 4.088 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1cc(F)c(F)cc1N1CCCCC1 574685188 SLEDVELLILCJBL-UHFFFAOYSA-N 431.848 4.318 5 20 IIBD COc1ccc([C@H](Cc2ccccc2)NCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 577989522 GSUVDNLYUHVERU-QFIPXVFZSA-N 435.480 4.124 5 20 IIBD C[C@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)[C@@H]1OCCc2sccc21 581088776 FFDLGCUGKXKYII-SAHAZLINSA-N 440.471 4.453 5 20 IIBD C[C@@H](Oc1ccccc1NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)C(F)(F)F 583723033 ZCFRJZPQXTWVND-GFCCVEGCSA-N 425.363 4.351 5 20 IIBD CCOc1cccc2cc([C@@H](C)NC(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)oc12 603797679 MLZNUEOECVUPSH-MRXNPFEDSA-N 438.484 4.333 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nc(C(C)C)no3)cc2)cc1OC 608799968 WHXARKFXEWJSOH-UHFFFAOYSA-N 426.429 4.428 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCc2ccc(OC(C)(C)C)cc2)ccc1[N+](=O)[O-] 608806456 JZTYOZZGCNRLPO-OAQYLSRUSA-N 439.512 4.002 5 20 IIBD Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n(-c2cccc(C(F)(F)F)c2)n1 608928197 ZNMULZXHWXRKML-UHFFFAOYSA-N 440.403 4.217 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCc1nc(-c2ccncc2)cs1 609027591 JHUQNZZIOQCRCC-CQSZACIVSA-N 428.539 4.343 5 20 IIBD COc1cc(CCNC(=O)[C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC 609514236 MJKQSVNLVGNKKH-JKSUJKDBSA-N 438.402 4.093 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C)c1c(C)noc1C 609613613 PZYFSUVTYFNXON-LBPRGKRZSA-N 446.485 4.182 5 20 IIBD Cc1ccc([C@@H]2COCCN2C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)o1 609728925 FGOUAVBXYFDRFV-ZOCZFRKYSA-N 427.501 4.192 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 609783096 YFULATUONGSXEW-UHFFFAOYSA-N 443.809 4.285 5 20 IIBD O=C(CCC(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1)N1CCc2sccc2C1 609859104 ILUVNFMMUZLWEV-UHFFFAOYSA-N 427.526 4.297 5 20 IIBD O=C(Nc1cccc(Cl)c1)N1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 609874953 WWHXXOZTMMVLOZ-UHFFFAOYSA-N 437.283 4.282 5 20 IIBD CC(=O)N(Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1)C1CC1 610046325 VSACRYJWERKEHP-UHFFFAOYSA-N 432.274 4.121 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCC(F)(F)C1 610785931 GBNGGPZUKYRUGB-LBPRGKRZSA-N 427.429 4.004 5 20 IIBD CCN1CCN(C(=O)Cc2ccc(NCc3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)CC1 610911591 HBLGCXCDRSGWMW-UHFFFAOYSA-N 448.523 4.174 5 20 IIBD CCOc1cc(CN2CC=CCC2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 611521137 FPUDPKGPZINPRN-UHFFFAOYSA-N 426.469 4.201 5 20 IIBD CC(=O)c1ccc(N2CCC(C(=O)Nc3cccc(Br)c3)CC2)c([N+](=O)[O-])c1 725789146 DKMGYRFPCRBCBW-UHFFFAOYSA-N 446.301 4.415 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2NCc2ccccc2)c([N+](=O)[O-])c1 726831530 SNELFZRYHNDZQU-MRXNPFEDSA-N 449.463 4.400 5 20 IIBD COc1ccc(Cl)cc1CC(=O)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C 728083879 VJMQQUBATCJVKM-UHFFFAOYSA-N 444.875 4.287 5 20 IIBD O=C(O[C@@H](c1cccc(Cl)c1)C(F)(F)F)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 730420472 HGRWNXZWFVUVOO-HNNXBMFYSA-N 426.738 4.289 5 20 IIBD O=Cc1ccc(OCC(=O)N[C@H](c2ccc(F)cc2)c2ccccc2Cl)c([N+](=O)[O-])c1 731612388 SPKXQVVOHSKLPJ-JOCHJYFZSA-N 442.830 4.484 5 20 IIBD O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1cccnc1SC(F)(F)F 733687328 CEUVWIVJRHFRDN-UHFFFAOYSA-N 442.419 4.070 5 20 IIBD Cc1ccc(OCc2cccc(C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)c2)cn1 734055464 LAHWSNRDKJLTCD-MRXNPFEDSA-N 435.436 4.061 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)[C@H](C)SCC(=O)Nc1ccc(F)cc1 735644784 RRUWQOIUHBQHPN-NSHDSACASA-N 426.853 4.362 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)c1ccc(C(C)(C)C)cc1 737715390 MJCKJCYHSVVBSH-GOSISDBHSA-N 443.456 4.143 5 20 IIBD COc1cc(N2CCC(OC(=O)CCC(=O)c3ccc(C)cc3)CC2)ccc1[N+](=O)[O-] 739384272 HECGZENFMVYOQB-UHFFFAOYSA-N 426.469 4.087 5 20 IIBD C[C@@H]1CCN(CCOc2ccc(NCc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)cc2)C1 744447746 WKMNZUWIVJZLGN-GOSISDBHSA-N 435.528 4.328 5 20 IIBD Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 744554936 ZBZLBPQNOYXQQX-QGZVFWFLSA-N 425.485 4.386 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C(=O)Nc1cc(Cl)ccc1F 744562707 QPKIHGCCYSTGQC-LBPRGKRZSA-N 435.839 4.172 5 20 IIBD C[C@@H](OC(=O)c1ccccc1-c1nc(C(C)(C)C)no1)C(=O)Nc1cccc([N+](=O)[O-])c1 744933328 PFAUUBSZLHDROT-CYBMUJFWSA-N 438.440 4.126 5 20 IIBD COc1ccc(NC(=O)COC(=O)C[C@H](C)c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 745223430 QDGFRFRIYZVDQX-LBPRGKRZSA-N 440.374 4.298 5 20 IIBD Cc1sc(CCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)nc1-c1ccccc1 748323310 IGUQLUXWVBSRTM-UHFFFAOYSA-N 426.454 4.216 5 20 IIBD CCCOC(=O)c1cc(-c2cncnc2)ccc1NC(=O)CCc1cccc([N+](=O)[O-])c1 749161171 DDAWVYOTMSEXBT-UHFFFAOYSA-N 434.452 4.190 5 20 IIBD O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 750096155 NUZOHEPLYWAFCA-RTBURBONSA-N 438.311 4.428 5 20 IIBD O=C(CCCOc1ccc(Cl)cc1)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 750425575 GXESYAWFIXMXLH-UHFFFAOYSA-N 433.892 4.262 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cc(Cl)c(Cl)cc1OC 750440456 NOVYVUVWBUOTKR-VIFPVBQESA-N 443.239 4.103 5 20 IIBD C[C@H](NC(=O)COC(=O)c1c(F)ccc([N+](=O)[O-])c1F)c1ccc(Cl)c(Cl)c1 752558621 IKAKBLNAASUVRQ-QMMMGPOBSA-N 433.194 4.214 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N(C)C2CCC(NC(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] 753042909 ZLGATCCSSFMSBF-FAEJEUNOSA-N 434.537 4.442 5 20 IIBD CC[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)Oc1cccc(C)c1 755014606 BLUSEPSUXKAXQE-ZDUSSCGKSA-N 425.254 4.392 5 20 IIBD C[C@@H](C(=O)OCC(=O)N(C)[C@H](C)c1cc2ccccc2o1)c1ccc([N+](=O)[O-])cc1F 755069103 QCJFEXVWTUNDHJ-ZIAGYGMSSA-N 428.416 4.346 5 20 IIBD CN(Cc1ccc(Br)c(F)c1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 755271541 UTVORFDLLZVYNJ-UHFFFAOYSA-N 430.661 4.491 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CN(Cc3ccccc3)C[C@H](O)c3ccsc3)n2)cc1 756904567 HVVDVRCBFLSEKD-FQEVSTJZSA-N 436.493 4.442 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 757090480 KTPKBWAWAIVVCL-JOCHJYFZSA-N 448.504 4.218 5 20 IIBD COc1ccc(COC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c(Br)c1OC 758738360 VJQWMQYXQHYNOY-UHFFFAOYSA-N 449.257 4.142 5 20 IIBD O=C(COC(=O)c1cc(F)c(C(F)(F)F)c(F)c1)Nc1ccc([N+](=O)[O-])cc1Cl 758843177 OKORGRCTJCCFMH-UHFFFAOYSA-N 438.692 4.341 5 20 IIBD O=C(Nc1cc(Cl)c([N+](=O)[O-])cc1OCc1ccccc1)c1cc2n(n1)CCCO2 762963677 VQZLYGUFGMYPHV-UHFFFAOYSA-N 428.832 4.059 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCC[C@H](CC(=O)OC(C)C)C2)c1=S 766029421 ALZGZGNDZJIGFB-MRXNPFEDSA-N 447.561 4.020 5 20 IIBD CC[C@@H](NC(=O)COC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccc(Cl)cc1 766234054 VSVRMVHNRODTFK-QGZVFWFLSA-N 427.844 4.221 5 20 IIBD Cc1ccc([C@@](O)(Cc2noc([C@@H](C)c3ccc([N+](=O)[O-])cc3F)n2)C(F)(F)F)o1 770905710 WLISIGWDOFIDOD-BTDLBPIBSA-N 429.326 4.163 5 20 IIBD CC[C@@H]1CCCC[C@@H]1OCCOC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 770953623 YMDDLDHNKGLSQP-PBHICJAKSA-N 434.518 4.017 5 20 IIBD COc1cc(Cc2noc(/C(C)=C/c3ccc([N+](=O)[O-])cc3)n2)c([N+](=O)[O-])c(OC)c1 771747542 NXPPFXFGHOTGJR-XYOKQWHBSA-N 426.385 4.055 5 20 IIBD Cc1c(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)csc1Br 772460502 LIFLJAKHTWPFCE-UHFFFAOYSA-N 433.667 4.176 5 20 IIBD O=C(COC(=O)c1sc(Br)cc1[N+](=O)[O-])Nc1cc(Cl)ccc1F 773600239 BFEOWYOVPVCUMJ-UHFFFAOYSA-N 437.630 4.007 5 20 IIBD COc1ccc(-c2ccncc2)cc1/C=C1/N=C(c2ccc(OC)c([N+](=O)[O-])c2)OC1=O 773900627 MMYAAVDJNPLCCL-LDADJPATSA-N 431.404 4.019 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)C[C@@](C)(O)c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 778348610 YMAZGQCNXVPAFR-UKILVPOCSA-N 448.475 4.424 5 20 IIBD COc1cc([C@@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C(F)(F)F)cc(OC)c1OC 779059625 CILYSMRVLBNWJL-MRXNPFEDSA-N 448.781 4.307 5 20 IIBD O=C(C[C@H](O)c1ccc(OCc2ccccc2)cc1)OCc1ccc([N+](=O)[O-])cc1F 781280917 DGHZRCRBFDMBOX-QFIPXVFZSA-N 425.412 4.480 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 785124776 GXKQVLLPCMFNBY-GFCCVEGCSA-N 441.793 4.222 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 785223952 WHYXTDAMZVFVBO-OXQOHEQNSA-N 445.903 4.082 5 20 IIBD CC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(I)c1)c1c(C)noc1C 787809888 SQFCFFIXBOMRJE-LBPRGKRZSA-N 444.229 4.077 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)OCC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)c1F 787938477 HWTUKYXMJRRXCP-SNVBAGLBSA-N 429.231 4.383 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)c1F 788308453 IRNWRNDTOBPTNX-UHFFFAOYSA-N 437.265 4.488 5 20 IIBD CCC[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C)c1F)C(=O)Nc1cccc(N2CCCC2)c1 790420039 HKNBNKAVHLCMHM-FQEVSTJZSA-N 442.491 4.180 5 20 IIBD Cc1ccc2cccc(C(=O)N3CCc4c(Br)ccc([N+](=O)[O-])c4C3)c2n1 791168311 PNVOWQIRSQPBPR-UHFFFAOYSA-N 426.270 4.412 5 20 IIBD O=C(C[C@@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1ccccc1 791423090 QEIHFSBCDGUMFU-ZDUSSCGKSA-N 443.308 4.328 5 20 IIBD CC(C)(C)OC(=O)N1CC=C(CCNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 793405257 FIYXPASTWPZDHP-UHFFFAOYSA-N 444.532 4.226 5 20 IIBD C[C@H]1CN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](c2cccc(C(F)(F)F)c2)O1 793707762 WEAUQYPJFTXKQH-IFXJQAMLSA-N 447.417 4.292 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)C1=Cc2cc(Br)ccc2OC1 794867286 WELWBRMDUGJGHR-UHFFFAOYSA-N 439.287 4.149 5 20 IIBD CCOc1ccc(N(CC)S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])cc1 795307221 XIYHDWDVIYJMPI-UHFFFAOYSA-N 447.282 4.110 5 20 IIBD CCCc1c(NC(=O)C(=O)Nc2c(F)ccc([N+](=O)[O-])c2C)cnn1-c1ccc(C)cc1 800633879 QPWHNHYMPSNXAU-UHFFFAOYSA-N 439.447 4.066 5 20 IIBD C[C@@H](c1ccccc1)n1cnn(CNNc2cc([N+](=O)[O-])ccc2Br)c1=S 802740696 HMCRJCZNRIISDI-LBPRGKRZSA-N 449.334 4.268 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 808725195 PPHXKKREFCLHCW-MKXGPGLRSA-N 435.569 4.196 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(-c2ccc(N3CCOC3=O)cc2)no1 809334291 GLPSFSNONGCVOT-UHFFFAOYSA-N 445.229 4.339 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3Cl)C[C@@H]21 809919482 LDAMPKQTLMUEDW-HZSPNIEDSA-N 438.912 4.405 5 20 IIBD CC(C)(C)OC(=O)N1CCc2ccc(-c3nc(CCC(C)(C)[N+](=O)[O-])no3)cc2CC1 812814262 ZQKZPPNLQWZZAQ-UHFFFAOYSA-N 430.505 4.060 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F 813241700 APSYHHSYUFYJPU-CQSZACIVSA-N 439.802 4.093 5 20 IIBD Cc1cc(C(=O)Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)c(C)n1Cc1ccc(F)cc1 813579672 CYXYUQIKLSGBNG-UHFFFAOYSA-N 433.439 4.398 5 20 IIBD C[C@H]1CN(Cc2ccc(CNC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc2)C[C@H](C)O1 915307742 RGAJGDKZJJEIPF-GJZGRUSLSA-N 432.908 4.179 5 20 IIBD CC(C)[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1N)C(=O)Nc1cc(Cl)ccc1Cl 915366681 UONSOVIHUHQOKR-INIZCTEOSA-N 426.256 4.304 5 20 IIBD COc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)cc1 915729572 PCCYUOQFFNZKDE-FQEVSTJZSA-N 439.855 4.101 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1Br 917866101 KUKUZUNQENSINC-CYBMUJFWSA-N 447.307 4.012 5 20 IIBD Cc1c(C(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 918176106 MXJHWMZHGCJZFY-UHFFFAOYSA-N 440.456 4.468 5 20 IIBD COc1ccccc1Nc1ncccc1C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 918795926 SDEMDSHPGFMEFJ-UHFFFAOYSA-N 447.407 4.149 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 919898981 CAUWNKAPNPNIMS-UHFFFAOYSA-N 437.283 4.282 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1cccc(N2CCCC2=O)c1 920947903 YPUYKWUTQGIJLT-QGZVFWFLSA-N 436.512 4.203 5 20 IIBD COc1ccc(C(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c2ccc(OC)cc2)cc1 921269332 DYWYWVMOHUNLQH-UHFFFAOYSA-N 440.427 4.036 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCc2ccc(Br)o2)cc1[N+](=O)[O-])c1ccccn1 1116706542 CVWHTJYXHLCOEH-GFCCVEGCSA-N 445.273 4.448 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1-c1nc([C@H](NC(=O)OC(C)(C)C)c2ccccc2)no1 1119616592 URRXWXHFAWIPRB-GOSISDBHSA-N 439.472 4.325 5 20 IIBD COc1c(Br)cc(Cl)cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 1317736123 QYWQQPFPVXGBBN-UHFFFAOYSA-N 444.625 4.488 5 20 IIBD O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)N1Cc2ccc([N+](=O)[O-])cc2C1 1329963490 QAPVWFKDIPHNBR-UHFFFAOYSA-N 435.337 4.486 5 20 IIBD CCCCC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3nc[nH]c3[N+](=O)[O-])cc2)CCC1 1788613196 LVRODTCSWJEDCL-OAHLLOKOSA-N 427.505 4.282 5 20 IIBD Cc1ccnc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C)c([N+](=O)[O-])cn4)CCC3)cc2)c1 1788712215 ZROPZRRUZJNFME-UHFFFAOYSA-N 445.479 4.063 5 20 IIBD Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])[nH]4)cc3)CCC2)cc1 1790184588 ZXEGMKVJCHACMI-UHFFFAOYSA-N 432.480 4.222 5 20 IIBD Cc1cc(CCCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C(C)(C)C)C3)c([N+](=O)[O-])cc1F 1793402248 RSWBEESBXHPGHP-BCDXTJNWSA-N 433.524 4.049 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2occ(Cl)c2c1)c1ccc([N+](=O)[O-])o1 1799323771 FXTNTTSLVCSZSJ-BTTYYORXSA-N 443.843 4.153 5 20 IIBD O=C(CC1CCCC1)N1CCCC2(CCN(C(=O)c3cccc(F)c3[N+](=O)[O-])CC2)C1 1808939409 YTQAZXAIDSJDSN-UHFFFAOYSA-N 431.508 4.159 5 20 IIBD CC(C)C1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc([N+](=O)[O-])o3)n[nH]2)CCC1 1814313352 KCYUTMGORANMRI-HNNXBMFYSA-N 429.477 4.043 5 20 IIBD CCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2cc([N+](=O)[O-])ccc2F)n[nH]1 1815645749 SZGCDNLROISKGX-SFHVURJKSA-N 445.495 4.128 5 20 IIBD CC[C@H](C)CC(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1823676975 LMPAEKAATZMPDQ-PGRDOPGGSA-N 429.561 4.193 5 20 IIBD CC(C)(C)CC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1823680429 VYHLRAASWPDELQ-NRFANRHFSA-N 429.561 4.193 5 20 IIBD CN(C(=O)CSc1nnc(-c2ccccc2Br)o1)c1ccc([N+](=O)[O-])cc1 11869569 PVHLRHKTFHOTCB-UHFFFAOYSA-N 449.286 4.162 5 20 IIBD O=C(COC(=O)c1occc1COc1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] 12189311 CVHGKNZHTHPCDC-UHFFFAOYSA-N 430.800 4.216 5 20 IIBD CCn1c2ccccc2c2cc(NC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)ccc21 15569038 SJWWXRDAFVZSJJ-UHFFFAOYSA-N 437.477 4.378 5 20 IIBD CCCN(C(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 15971688 JCAHJSZOBPJAIV-KRWDZBQOSA-N 448.566 4.094 5 20 IIBD O=C(Cc1csc(-c2cccs2)n1)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 17935481 CUFXLIOOFMASPO-UHFFFAOYSA-N 428.451 4.116 5 20 IIBD O=C(COc1cccnc1[N+](=O)[O-])Nc1sc2c(c1C(=O)c1ccccc1)CCCC2 18532560 ZTFGVTAORGWWBP-UHFFFAOYSA-N 437.477 4.179 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(Oc2ncnc3c2oc2ccccc23)c([N+](=O)[O-])c1 23709136 CJXVDDLKJZZXDI-UHFFFAOYSA-N 442.453 4.107 5 20 IIBD CCn1c(SCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])nc2ccccc2c1=O 24968662 UALPUPXZVSWKMB-UHFFFAOYSA-N 437.424 4.227 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)cc1OC 32465826 LMNSDDKAEIAXCO-UHFFFAOYSA-N 442.472 4.055 5 20 IIBD O=C1[C@@H](c2ccccc2)N(Cc2ccccc2)C(=O)N1CCOc1ccc([N+](=O)[O-])cc1 60816175 LKEIHXPTKHJSFV-JOCHJYFZSA-N 431.448 4.179 5 20 IIBD CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 64897414 SAUNJXPQWWBMQU-UHFFFAOYSA-N 427.482 4.398 5 20 IIBD COc1cccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)c2c[nH]c3ccccc23)c1OC 68788641 VTSDXWQRTGBLTJ-KRWDZBQOSA-N 435.436 4.248 5 20 IIBD COc1ccc(Cl)cc1-c1n[nH]c(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)n1 68914789 KNXTXCADUCOEQI-JTQLQIEISA-N 433.877 4.161 5 20 IIBD CCCC[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)C(=O)Nc1cccc(N2CCCC2)c1 110116637 LCAAJCLNUCQZGW-KRWDZBQOSA-N 430.530 4.184 5 20 IIBD Cn1cc(CNCCc2cc(Br)ccc2F)c(-c2ccc([N+](=O)[O-])cc2)n1 237920550 YCVQIKYXHXPCOY-UHFFFAOYSA-N 433.281 4.229 5 20 IIBD Cc1ccc(-c2nnc(-c3ccc(C(=O)NCCNc4ccccc4[N+](=O)[O-])cc3)o2)cc1 248086520 LDAXTFJCTYSUFP-UHFFFAOYSA-N 443.463 4.462 5 20 IIBD O=c1c(Cl)c(N[C@@H](CN2CCCC2)c2ccccc2)cnn1-c1ccc([N+](=O)[O-])cc1 301350563 MPPNPMLXJLCRDE-FQEVSTJZSA-N 439.903 4.043 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1Cl 301652805 GSQUNOYGJLTCSJ-UHFFFAOYSA-N 435.839 4.029 5 20 IIBD O=c1c(Cl)c(N[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cnn1-c1ccc([N+](=O)[O-])cc1 302018960 MVKIBDYHBVVXGQ-QFBILLFUSA-N 448.813 4.014 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] 302182798 SHVIIJPXESAJCN-ZDUSSCGKSA-N 425.363 4.316 5 20 IIBD O=C(Nc1cccc(N2CCCCCC2)c1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303800489 GRHLNBQOSWDVSS-GOSISDBHSA-N 442.541 4.280 5 20 IIBD COc1ccc(C(=O)COc2c(Br)cccc2[N+](=O)[O-])cc1Br 391470543 QLPHNWRVZUCRNE-UHFFFAOYSA-N 445.063 4.390 5 20 IIBD COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)c1 409544605 LNWCGRQOWKGOSB-DOTOQJQBSA-N 438.402 4.307 5 20 IIBD Cc1cc(CN2CCN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)CC2)no1 410207088 NNAOSNYZQZREGM-UHFFFAOYSA-N 438.509 4.000 5 20 IIBD CC[S@](=O)[C@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)C1 427346406 VLGGPTVKIIJHEL-PFUDXUENSA-N 446.525 4.205 5 20 IIBD Cc1c(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cccc1C(=O)N1CCCC1 429793218 YERWJTVVODUGRQ-UHFFFAOYSA-N 432.274 4.154 5 20 IIBD CC(C)(NC(=O)Nc1ccccc1I)c1ccc([N+](=O)[O-])cc1 431093643 MIWHAQWADZWNTO-UHFFFAOYSA-N 425.226 4.256 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(SCc3ccccc3)s2)cc1C 431353451 VWGXVNCBYNAVHD-UHFFFAOYSA-N 436.540 4.156 5 20 IIBD Cc1nn(CCC(=O)NCC2(c3cccc(Br)c3)CCCC2)c(C)c1[N+](=O)[O-] 434336364 XOKCTYNKVDZJQH-UHFFFAOYSA-N 449.349 4.189 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)c1ccccn1 435520924 UIXHSDZHNDPZAF-GFCCVEGCSA-N 428.495 4.018 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1ccccc1CCC(F)(F)F 438661222 NGSLOOZAZIHWEP-UHFFFAOYSA-N 437.418 4.465 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CC)[C@H](C)c1cc2ccccc2o1 439771604 TVTROLQVJSHKOL-CQSZACIVSA-N 425.441 4.288 5 20 IIBD C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(Br)s1 442729251 MKBMEHSCTMCEPM-SSDOTTSWSA-N 425.713 4.112 5 20 IIBD C[C@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1cccc(N2CCCC2=O)c1 445197026 YBWOPTHERSIFGO-JTQLQIEISA-N 438.303 4.037 5 20 IIBD Cc1cc(-c2noc(-c3ccc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)cc3)n2)c(C)o1 445848061 FLHWWQIRLYTPCA-UHFFFAOYSA-N 440.437 4.322 5 20 IIBD O=C(CCCc1csc2ccccc12)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 446028110 IEDFDYOGHDLOFE-UHFFFAOYSA-N 437.521 4.117 5 20 IIBD O=C(c1nc(-c2cccs2)n(-c2ccccc2)n1)N1CCc2ccc([N+](=O)[O-])cc2C1 446427081 ZETNCIWTPYQRLB-UHFFFAOYSA-N 431.477 4.103 5 20 IIBD COc1cc(C(=O)N2C[C@H](c3ccccc3C)OC[C@H]2C)c([N+](=O)[O-])cc1OC(F)F 460405003 XWKXYJVVZLQEKW-BFUOFWGJSA-N 436.411 4.115 5 20 IIBD COc1ccc([C@H](Cc2ccccc2)NC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 460661309 AGABAGJZCFVYRR-NRFANRHFSA-N 445.479 4.263 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CNc3nnc(-c4cccc(OC(F)F)c4)o3)cs2)c1 461209203 BWVWPEIOZPRGPK-UHFFFAOYSA-N 445.407 4.982 5 20 IIBD Cc1ccc(C[C@H]2CCCN2c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCOC2)cc1 461566235 BMCOHUZTKNGGFU-RBBKRZOGSA-N 447.539 4.410 5 20 IIBD Cc1cc(C)c2c(c1)CN(c1nnc(-c3cccc([N+](=O)[O-])c3)n1C[C@@H]1CCOC1)CC2 461643426 YVZBJYSCNWHMRG-SFHVURJKSA-N 433.512 4.069 5 20 IIBD CCOC(=O)c1cc(Br)ccc1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 462245946 PQKLSLYXRIAUJJ-UHFFFAOYSA-N 447.245 4.196 5 20 IIBD O=[N+]([O-])c1ccc(NS(=O)(=O)c2cc(Br)ccc2Cl)c2cccnc12 462381543 WCFQTWUDWQLVRQ-UHFFFAOYSA-N 442.678 4.360 5 20 IIBD O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1CCC(F)(F)[C@@H](CO)C1 462677664 IKMDMCGYEVDQQE-GFCCVEGCSA-N 442.871 4.489 5 20 IIBD CCOCCCNC(=O)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 463125883 GAWSMNPSRDHWDS-UHFFFAOYSA-N 439.390 4.022 5 20 IIBD O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 463725317 YUEHXANDNXBNFP-UHFFFAOYSA-N 426.738 4.247 5 20 IIBD O=C(Nc1ccc(Oc2ccc(Cl)cn2)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 464150013 JGDNPMCCZXHTAO-UHFFFAOYSA-N 427.800 4.459 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CN(CCCOc3ccccc3)C3CCOCC3)n2)c1 464587759 BATPMNSZQVWXBB-UHFFFAOYSA-N 438.484 4.095 5 20 IIBD CCN(Cc1cccc(-c2ccncc2)c1)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 465110187 JYCVYIASIONIIU-UHFFFAOYSA-N 433.464 4.019 5 20 IIBD Cc1nn(-c2ccccc2)cc1CCCNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl 466569820 KHTNSIOAVZZCGO-UHFFFAOYSA-N 427.892 4.174 5 20 IIBD CCO[C@@H]1COCC[C@H]1NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 466736568 XADWZVKUDGCKJI-IAGOWNOFSA-N 436.917 4.323 5 20 IIBD CC(C)(C)c1nnc(CNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 467336540 XDEIPOCXRIVWHJ-UHFFFAOYSA-N 434.465 4.171 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)c1ccccc1Oc1ccccc1 468886394 HJOGFRBCCWLGER-BEFAXECRSA-N 437.500 4.497 5 20 IIBD CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@H](CC)Nc1c([N+](=O)[O-])c(C)nn1C 469342287 HHOQTWCGLOZKGX-HOCLYGCPSA-N 442.347 4.272 5 20 IIBD CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 470364537 UKFOPNJEQRIDLV-UHFFFAOYSA-N 446.891 4.024 5 20 IIBD COC(=O)c1cc(C(=O)Nc2cc(Cl)ccc2-c2nc(C3CC3)no2)cc([N+](=O)[O-])c1 471516576 QIARLNSZQSZCGM-UHFFFAOYSA-N 442.815 4.215 5 20 IIBD COc1ccc(F)c2[nH]c(C(=O)N[C@@H](CC(=O)OC(C)C)c3ccccc3[N+](=O)[O-])cc12 474431780 KUMJEFZRLJPDAA-INIZCTEOSA-N 443.431 4.037 5 20 IIBD O=c1ccc([N+](=O)[O-])cn1C[C@@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 474665785 XSBOGQRVPYFPMD-LJQANCHMSA-N 449.290 4.230 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(OC(F)F)cc1 478975828 LRHHJYRAERTQRO-UHFFFAOYSA-N 426.441 4.207 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(Br)cs1 480488166 FVNQNLFUZLMLHU-UHFFFAOYSA-N 431.333 4.087 5 20 IIBD COc1cc(I)c(Cl)cc1CNCc1cccc([N+](=O)[O-])c1 481725078 NXIDOKYEOVUSNG-UHFFFAOYSA-N 432.645 4.151 5 20 IIBD CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 482132813 IHRLVVIKQDXANU-OAQYLSRUSA-N 435.528 4.207 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3nc(NC(C)=O)sc3c2)cc1SC 482978898 AKDCZDCMUSBLIY-UHFFFAOYSA-N 432.483 4.146 5 20 IIBD CCc1[nH]nc(C(=O)Nc2ccc(Oc3cccc(Br)c3)nc2)c1[N+](=O)[O-] 484731954 XETTZNIQVHEIRG-UHFFFAOYSA-N 432.234 4.082 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(CNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)s1 484838962 WSZRBCSFWHYKNC-UHFFFAOYSA-N 441.575 4.476 5 20 IIBD Cc1cc(S(C)(=O)=O)cc(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)c1C 484862734 WBBOXHUTJDPEKK-CQSZACIVSA-N 445.541 4.104 5 20 IIBD CCCOc1c(Cl)cc(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)cc1OC 485988897 ZGYMMLULDIAPKE-UHFFFAOYSA-N 436.848 4.393 5 20 IIBD COc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(Br)cc1Br 486131143 VJSDCBCHSRXSRI-UHFFFAOYSA-N 444.079 4.310 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cc(N2CCCC2=O)ccc1Cl 486746970 SMANKOZCRQTVLV-UHFFFAOYSA-N 441.793 4.324 5 20 IIBD O=C(C1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1)N(Cc1ccccc1)C1CC1 486926988 PPTRMUWQFBPXLQ-UHFFFAOYSA-N 447.495 4.052 5 20 IIBD CN(CC(=O)OC(C)(C)C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 487004645 YXQSUGZITLMZEV-LJQANCHMSA-N 433.892 4.202 5 20 IIBD CC(C)c1cc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n(-c2ncccn2)n1 488654608 CLBMPXZGCUFBRI-UHFFFAOYSA-N 449.393 4.034 5 20 IIBD CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c1 490134610 CQQAXOHCDDARLL-UHFFFAOYSA-N 427.848 4.425 5 20 IIBD O=C([C@@H]1CCCN(c2ncnc3sccc23)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 490401113 RYABERJNCUWOHW-MRXNPFEDSA-N 437.525 4.007 5 20 IIBD O=C(N[C@H](c1c[nH]c2ccccc12)C(F)(F)F)N1CCN(c2ccccc2[N+](=O)[O-])CC1 490800819 VCHHZGYXPMPWRT-LJQANCHMSA-N 447.417 4.211 5 20 IIBD COc1cc(CN[C@H]2CCN([C@H](C)c3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)F 494699069 YUPMDEMETDCYJB-QAPCUYQASA-N 435.471 4.172 5 20 IIBD COc1cc(CSc2nccc(C(F)(F)F)n2)c([N+](=O)[O-])cc1OCC(F)F 502897910 BLBLZQDSOTXUKB-UHFFFAOYSA-N 425.335 4.348 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(CN2CCCC2=O)cc1 504078968 WRSIUHHTKWEUNU-UHFFFAOYSA-N 427.526 4.149 5 20 IIBD Cc1c(C(=O)N[C@@H](C)c2ccc(SC(C)C)cc2)nnn1-c1cccc([N+](=O)[O-])c1 504739680 DMSXSXQIWNGZCK-AWEZNQCLSA-N 425.514 4.475 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCCCO[C@H]2CCCc3ccccc32)cc1OC 505549177 ADPPDHXLEMBWMP-FQEVSTJZSA-N 428.485 4.216 5 20 IIBD C[C@@H](NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)[C@@H](c1ccccc1)N(C)C 505588844 VTQREGFHBKRCJZ-FATZIPQQSA-N 435.474 4.381 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 507277200 FREJIUYIIJRJMS-MRXNPFEDSA-N 428.558 4.447 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)c2ncc3c(n2)-c2ccccc2SC3)c1 508092613 DUHWAAMXFMQULA-UHFFFAOYSA-N 442.522 4.099 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 509155971 VQVGXEXLVUSNFS-OAHLLOKOSA-N 428.432 4.323 5 20 IIBD Cc1cccc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1C(=O)N1CCCC1 509650939 KQZMDEDCLXACMV-UHFFFAOYSA-N 446.301 4.462 5 20 IIBD Cn1cc(CN2CCN(C(=O)CCC3CCCCC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 510455885 MGQSPWIDTRDHPL-UHFFFAOYSA-N 439.560 4.000 5 20 IIBD CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 512285858 PRWRIRUJJIXXEE-OAHLLOKOSA-N 440.475 4.113 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2ccc3c(c2)oc2ccccc23)CC1 513287270 RMYFCZUEBNGHGQ-UHFFFAOYSA-N 429.432 4.092 5 20 IIBD CCOc1cc(C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)c([N+](=O)[O-])cc1OC 520347428 FEASAROPINQRHS-DZGCQCFKSA-N 435.274 4.051 5 20 IIBD CC(C)(C)c1ccc(S(=O)(=O)CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 520766207 NWNOZHHJXLIVRC-UHFFFAOYSA-N 446.550 4.311 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 521545883 GQEZFOACLAJPNF-UHFFFAOYSA-N 448.458 4.312 5 20 IIBD Cc1ccc([C@@H]2COCCN2C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)o1 523973657 JMWRLDAWOKJOJX-KKSFZXQISA-N 436.468 4.278 5 20 IIBD COc1ccc([C@H](NC(=O)COc2ccc(Br)cc2[N+](=O)[O-])C(C)C)cc1 525114431 WELVFFBYJDLGSJ-LJQANCHMSA-N 437.290 4.258 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1C(F)(F)F 525279153 JKNIYKIDLGUOPJ-SECBINFHSA-N 447.316 4.031 5 20 IIBD Cc1cc(S(=O)(=O)N(C)[C@H](c2ccncc2)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] 530664356 QWPMEKFHOYDRED-FQEVSTJZSA-N 431.901 4.362 5 20 IIBD CC[S@](=O)[C@H]1CCC[C@@H](NCc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 531172070 GOAAERRNWYXOHN-RZYGYNCFSA-N 446.569 4.352 5 20 IIBD Cc1cccc(NC(=O)Nc2cccc(CNC(=O)c3cc(C(=O)O)cc([N+](=O)[O-])c3)c2)c1 531748985 BNOIHUUHLKTESZ-UHFFFAOYSA-N 448.435 4.175 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1nc(COc2ccc(F)cc2)no1 532199723 YUNGROGKKHOPOF-UHFFFAOYSA-N 426.326 4.369 5 20 IIBD O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCc2ccsc2C1 534072768 NFJBZUKZNKVXOF-UHFFFAOYSA-N 439.459 4.476 5 20 IIBD COc1cc(Br)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Cl 534206931 DOZOGBLFLHLNAU-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD O=C(N[C@H]1CCCN(c2ccccc2F)C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 536494334 YMZXUEGJIJRKAT-ZDUSSCGKSA-N 441.381 4.074 5 20 IIBD O=C(N[C@H]1CCCOc2cc(Cl)ccc21)C1CCN(c2ccccc2[N+](=O)[O-])CC1 537283339 RHFASXHOLSGZAO-SFHVURJKSA-N 429.904 4.495 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 540858102 GGYWSJLQIUURDE-CYBMUJFWSA-N 426.439 4.213 5 20 IIBD Cn1ccnc1[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 544049319 DVWLIUMNUBPCFB-GOSISDBHSA-N 434.880 4.119 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)NCc1ccc(-c2nc3ccccc3s2)o1 544111957 JOUYDYNVSAOVKM-UHFFFAOYSA-N 438.465 4.473 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 544483414 MNMKRWUREHJNAD-CYBMUJFWSA-N 428.489 4.479 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2nnn(-c3cccc(Br)c3)c2C)n1 545689168 KNKHLCCQGZZZNX-UHFFFAOYSA-N 441.245 4.272 5 20 IIBD CC[C@@H](C)Oc1ccc(-c2noc(CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)n2)cc1 545748123 SJDQGMCUQZUDBT-CQSZACIVSA-N 438.440 4.363 5 20 IIBD O=[N+]([O-])c1ccc(N2CCO[C@H](c3ccc(F)cc3F)C2)nc1OCc1ccccc1 548614107 IPHDUZCHVUMWEP-FQEVSTJZSA-N 427.407 4.425 5 20 IIBD O=C(Nc1ccc2c(Cl)cccc2n1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 552796472 BZNFNBMWBFINGD-AWEZNQCLSA-N 430.873 4.101 5 20 IIBD CC[C@H]1CN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C[C@@H](C)S1(=O)=O 558029056 CEMMCAIMVIIMOF-QAPCUYQASA-N 448.566 4.092 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(Oc3cccnc3)cc2)c([N+](=O)[O-])c1 567080374 KHGYRCBBASHXCA-HOTGVXAUSA-N 436.468 4.469 5 20 IIBD Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)cs1 568147644 PECIHOKLDATCHK-UHFFFAOYSA-N 439.472 4.958 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1cc(F)ccc1SCC(F)F 571329014 WPSXZECEUFYRPQ-UHFFFAOYSA-N 447.822 4.113 5 20 IIBD CC(=O)c1ccc(OC[C@H](O)COc2ccc(Cl)cc2Br)c([N+](=O)[O-])c1 574049413 DJLAGKFBDAHVKY-CYBMUJFWSA-N 444.665 4.032 5 20 IIBD C[C@@H](C(=O)Nc1ccc(C(=O)NCc2ccccn2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 578708920 KSHVILZDIFILQX-CQSZACIVSA-N 438.871 4.315 5 20 IIBD Cc1cccc([C@@H](C)S(=O)(=O)Cc2cc(I)cc([N+](=O)[O-])c2)c1 580746800 DBBPNODLEGHULJ-GFCCVEGCSA-N 445.278 4.184 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)c1 581142840 HHZODBAYLNNCCN-UHFFFAOYSA-N 443.463 4.171 5 20 IIBD CCOc1ccc(C2(CNC(=O)Nc3cc([N+](=O)[O-])ccc3CC)CCOCC2)cc1 583351510 CORBAEZPKDVTTP-UHFFFAOYSA-N 427.501 4.426 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)NCCc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] 585756836 ALHUHAPTGLUFJJ-UHFFFAOYSA-N 437.418 4.209 5 20 IIBD O=C(Nc1ncc(-c2ccc(Br)cc2)s1)c1cc2c(cc1[N+](=O)[O-])OCO2 589081344 XFSCGGYAEPCBOL-UHFFFAOYSA-N 448.254 4.462 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C2(c3cccc(Br)c3)CC(=O)C2)cc1[N+](=O)[O-] 589441614 OJTBOFIUHZIEMR-ZDUSSCGKSA-N 431.286 4.144 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 604448037 DFHANQHNLFIEHJ-OAGGEKHMSA-N 447.919 4.263 5 20 IIBD COc1cc(OCC(=O)Nc2ccc3nc(-c4cccc(F)c4)[nH]c3c2)ccc1[N+](=O)[O-] 604457190 QRVPNNQDWHANBH-UHFFFAOYSA-N 436.399 4.303 5 20 IIBD Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4ccc([N+](=O)[O-])cc4F)cc3C2=O)c1 608873229 ZVVZVHISIVLFHZ-UHFFFAOYSA-N 433.395 4.404 5 20 IIBD CC(=O)N[C@@H](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1c(F)cccc1F 608931507 UXXQHURLSUJFGE-INIZCTEOSA-N 446.435 4.203 5 20 IIBD O=C(CCc1nc2cc(Cl)ccc2s1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 609326884 WJASGRPBECUAKD-UHFFFAOYSA-N 430.917 4.139 5 20 IIBD CC1CCN([C@H](CNC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)c2cccs2)CC1 609489915 HOHNNFKXEGNXMP-LJQANCHMSA-N 440.525 4.113 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(O[C@@H]4CCOC4)cc3)cc2[N+](=O)[O-])C1 610051822 NSCIKBJNVQKQHT-CBGDNZLLSA-N 439.512 4.497 5 20 IIBD CCOC(=O)c1cc(F)c(F)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Br 610186882 IBYOJXZWNKBFHC-UHFFFAOYSA-N 429.173 4.065 5 20 IIBD COc1ccc([C@H](CC(=O)O)NCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)cc1 617339747 VSSWPUXENGTAKG-IBGZPJMESA-N 426.425 4.178 5 20 IIBD COc1cc(Cc2noc(-c3ccc(OCc4cccnc4)cc3)n2)c([N+](=O)[O-])c(OC)c1 618438762 MLKOKNHNRKWWSG-UHFFFAOYSA-N 448.435 4.227 5 20 IIBD O=C(COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])Nc1ccc(Cl)cc1C(F)(F)F 725934956 BZPWGCVIFRTBSA-UHFFFAOYSA-N 438.692 4.341 5 20 IIBD Nc1ccc(C(=O)Nc2cc(-c3cc(Br)ccc3Cl)[nH]n2)cc1[N+](=O)[O-] 728073447 UNLOZUDKOYKSTE-UHFFFAOYSA-N 436.653 4.235 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@H](C(=O)N2C[C@@H](C)C[C@@H](C)C2)C(C)C)cc1SC 728649199 GDISSHVGCFOZHZ-KSMMKXTCSA-N 438.546 4.011 5 20 IIBD Cc1ccsc1C(=O)Nc1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 729375212 UJKFPFTXCSJZTR-UHFFFAOYSA-N 427.394 4.344 5 20 IIBD O=C(Nc1sccc1C(=O)NCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1O 730214812 OPAWUTSVMMDKGJ-UHFFFAOYSA-N 431.857 4.198 5 20 IIBD Cc1oc(-c2ccccc2)nc1C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730702832 DWDDGNAHNILOIY-KRWDZBQOSA-N 435.436 4.020 5 20 IIBD CCOc1ccc(NC(=O)CN2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 731483323 DWUGSAQORJJIHB-JOCHJYFZSA-N 447.919 4.031 5 20 IIBD O=C(Cc1coc2ccc3ccccc3c12)O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 731504160 JJDXCUGNCFKUMO-NRFANRHFSA-N 430.416 4.385 5 20 IIBD Cc1cc(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])ccc1N1CCCC1 731781626 BZQLFHYKIOOMIV-UHFFFAOYSA-N 440.319 4.067 5 20 IIBD Cc1ccc(OCc2cccc(C(=O)O[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cn1 734056641 XDKOSBSZWOZGDP-MRXNPFEDSA-N 435.436 4.061 5 20 IIBD CC[C@@H](C)NC(=O)[C@H](C)OC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 741828350 GAWJBRXLCZGJJY-KGLIPLIRSA-N 444.509 4.008 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@]1(C)CCCN(C(=O)c2ccccc2)C1 741896072 NZQWECJRXYMVGX-JOCHJYFZSA-N 429.904 4.149 5 20 IIBD CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 742186577 OGQARQRCSMHATO-IBGZPJMESA-N 435.546 4.206 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)cc1 743227483 UZIWJLWSINMVEF-HNNXBMFYSA-N 444.488 4.381 5 20 IIBD CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)c1 745171796 MFMHORYEYOSMHD-UHFFFAOYSA-N 448.859 4.456 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)CCn2cc([N+](=O)[O-])cn2)c2ccccc2)cc1Cl 746596845 UHIKAVPBGHXCNL-FQEVSTJZSA-N 442.859 4.066 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1[N+](=O)[O-] 749130689 LLSLLJPURDFATK-UHFFFAOYSA-N 426.410 4.378 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N2CCC(Oc3ccccc3Cl)CC2)cc1[N+](=O)[O-] 754034608 DNIVEQRBYMUBLH-UHFFFAOYSA-N 445.324 4.442 5 20 IIBD C[C@H](C(=O)Nc1ccc(N2CCC(N(C)C)CC2)c(F)c1)c1ccc([N+](=O)[O-])cc1F 754236230 HDKPUAGMQATEGD-AWEZNQCLSA-N 432.471 4.146 5 20 IIBD CN(Cc1ccc(Br)o1)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754627623 DMLUBQDZZSIDSP-UHFFFAOYSA-N 436.031 4.124 5 20 IIBD Cc1cccc(Cl)c1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 757679698 RTEDZPPLOIPRMJ-UHFFFAOYSA-N 431.876 4.342 5 20 IIBD Cc1c(C(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 760083946 HXSMEOFWTJDBGA-ZDUSSCGKSA-N 440.239 4.412 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCN(CCCc3nc(-c4cccs4)no3)CC2)cc1Cl 761505131 GEFBAAJGPYHEOH-UHFFFAOYSA-N 447.948 4.110 5 20 IIBD CC(C)CN(C[C@H](O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 762548496 GDUJUEDOOPGMKD-QFIPXVFZSA-N 429.492 4.166 5 20 IIBD CC(C)C(=O)Nc1ccc(C(=O)COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cc1 762990689 SARPTWQUIHPXRV-UHFFFAOYSA-N 430.432 4.032 5 20 IIBD C[C@@H](c1cc2ccccc2o1)N(C)C(=O)COC(=O)c1ccc([N+](=O)[O-])c2cccnc12 766229344 CXAGZKUFPOFGLC-AWEZNQCLSA-N 433.420 4.266 5 20 IIBD CC(=O)[C@@H](Cc1c(F)cccc1F)OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 768650886 YWBRFVGKQHIEKW-GOSISDBHSA-N 432.404 4.354 5 20 IIBD O=C(Nc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1)c1ccc(Cl)cc1 768880954 HNBOWRIRCACICN-UHFFFAOYSA-N 437.886 4.363 5 20 IIBD CC(C)CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[C@H](O)c1ccc(F)cc1 769447568 YEFZTEKCQWKSED-QFIPXVFZSA-N 426.492 4.326 5 20 IIBD COC(=O)Nc1cccc(NCc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])c1 770492678 UJPNABCLVFCZCY-UHFFFAOYSA-N 429.351 4.335 5 20 IIBD Cc1ccc(CCC(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(Br)c1 772826412 NWIGORNIHHSXDG-UHFFFAOYSA-N 446.257 4.392 5 20 IIBD CC(C)(C)OC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])c3nsnc3c2)c2ccccc21 773843373 WMCXUKVQMVWKCM-UHFFFAOYSA-N 441.469 4.001 5 20 IIBD C[C@@H](Nc1ccc(C(=O)OC[C@H]2CCCN2CC(F)F)cc1[N+](=O)[O-])c1ccccn1 774644194 JZZSUOJWGVURGI-GDBMZVCRSA-N 434.443 4.049 5 20 IIBD CC(=O)N(c1nc(COC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cs1)C1CC1 775088364 BVUQBWSVTTULJY-UHFFFAOYSA-N 435.527 4.424 5 20 IIBD O=C(Oc1cc(Cl)cnc1Br)c1ccc(Br)cc1[N+](=O)[O-] 775506137 BOEIIUFVHWITRC-UHFFFAOYSA-N 436.443 4.387 5 20 IIBD Cc1nc(COc2cccc(C(=O)O[C@@H](c3cccnc3)c3ccccc3[N+](=O)[O-])c2)no1 776134970 FDZPEJTYWGSNAT-QFIPXVFZSA-N 446.419 4.207 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)CCc1ccc2[nH]ccc2c1 776187001 CBFLPKRSIORYSW-UHFFFAOYSA-N 433.468 4.496 5 20 IIBD CSc1cccc(C(=O)O[C@H]2CCCN(C(=O)c3ccccc3Cl)C2)c1[N+](=O)[O-] 777308723 DHDCSEVXHSRICU-ZDUSSCGKSA-N 434.901 4.432 5 20 IIBD C[C@@H](CO)N(CC1CCC1)C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 779569357 BWKWZGCNBSFHFP-AWEZNQCLSA-N 445.903 4.124 5 20 IIBD COc1cc(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc(OC)c1C(C)C 781292562 RKMRFKYSEPJLNL-UHFFFAOYSA-N 427.413 4.142 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 781437290 VFMPZDCQCVPYQE-UHFFFAOYSA-N 440.349 4.275 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@@H](c2nc(-c3cccc(CN4CCCCC4)c3)no2)C1 781609491 DFDRTFHBTOWOHF-OAQYLSRUSA-N 433.468 4.496 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cc(Br)ccc1Cl 781627631 CMIQIEHVOQUGFM-UHFFFAOYSA-N 428.626 4.490 5 20 IIBD C[C@@](NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])(c1ccc(F)cc1)C(F)(F)F 781869908 RAGPXHLUDOBOIY-QGZVFWFLSA-N 429.326 4.169 5 20 IIBD O=C(N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1cccc([N+](=O)[O-])c1Br 782123458 NIPHLICQMPELRH-GOSISDBHSA-N 433.258 4.010 5 20 IIBD O=C(Oc1cc([N+](=O)[O-])ccc1I)[C@@H]1SCCc2sccc21 782664467 INTYRFQAUXVAKW-CYBMUJFWSA-N 447.275 4.197 5 20 IIBD CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 786357495 BHWQYODDGCRPKG-MRRJBJDNSA-N 446.422 4.469 5 20 IIBD CC(C)n1cc2c(n1)[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)CCC2 787315398 SWNUHXBKIAIAQB-MRXNPFEDSA-N 425.411 4.268 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](C)[C@@H](O)c2c(Cl)cccc2Cl)c1 798334189 QPJBNMOFINKIHY-CWTRNNRKSA-N 427.284 4.217 5 20 IIBD O=C(Nc1ccccc1C(=O)OCc1cnc(Cl)cn1)c1ccc([N+](=O)[O-])cc1Cl 798580129 LJQQEBDBIPRLEI-UHFFFAOYSA-N 447.234 4.301 5 20 IIBD COc1ccc(CN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)C2CC2)c(OC)c1 800858001 HILQOLBFTNPFPP-INIZCTEOSA-N 437.500 4.129 5 20 IIBD CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N 801841242 JUBVBPINYBBHTR-UHFFFAOYSA-N 443.454 4.330 5 20 IIBD C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](c2nc(CCNc3ccccc3[N+](=O)[O-])no2)C1 809387853 FVPUDEMTFYZQEQ-PBHICJAKSA-N 431.493 4.341 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2-c2nc(CC(=O)Nc3ccccc3F)no2)CC1 809459330 UDXZJDXNEFRPLF-UHFFFAOYSA-N 439.447 4.201 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ncc1Br)c1ccc(Oc2cccnc2)cc1 813819083 AEYNHYVLYHWTOX-GFCCVEGCSA-N 443.257 4.431 5 20 IIBD CCc1nc(C(C)C)ccc1COC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 815209628 ADNKTPYULHGCCC-QGZVFWFLSA-N 431.514 4.085 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 815847486 OWMCHQSOJKEYKP-RDTXWAMCSA-N 426.366 4.481 5 20 IIBD COc1ccc(OC2CCN(C(=O)c3ccc(Br)c([N+](=O)[O-])c3)CC2)cc1 916485665 SFCHVBVQQZOKCW-UHFFFAOYSA-N 435.274 4.050 5 20 IIBD C[C@H](c1ccc(F)c(F)c1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 917870222 PLTSVSFJPRAAAZ-SECBINFHSA-N 435.246 4.017 5 20 IIBD COC(=O)N(C)c1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 919892895 PTUSRTNKKHJJBK-UHFFFAOYSA-N 426.473 4.286 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)ccc1Cl 919959283 CDPOQYPVGUQFKT-LBPRGKRZSA-N 447.296 4.260 5 20 IIBD CSc1ccc(NC(=O)[C@H](C)OC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 920778590 LNVHPPKOCWSELJ-RYUDHWBXSA-N 438.889 4.308 5 20 IIBD CN(c1ccc(OC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 929968640 DYZSJHUTORFHBF-UHFFFAOYSA-N 446.868 4.293 5 20 IIBD COc1ccc(CSCC(=O)Nc2cc(C)nn2-c2ccc(C)cc2)cc1[N+](=O)[O-] 1115837832 HEFGTIROBXUVBV-UHFFFAOYSA-N 426.498 4.278 5 20 IIBD CC(C)(C)OC(=O)N[C@H](c1ccccc1)c1noc(COc2ccccc2[N+](=O)[O-])n1 1322831492 JFFRRPQWDQRIQS-GOSISDBHSA-N 426.429 4.171 5 20 IIBD Nc1c(C(=O)N2CCc3c2cccc3C(F)(F)F)cc(Br)cc1[N+](=O)[O-] 1327166374 AVCPZDRIRNHZCO-UHFFFAOYSA-N 430.180 4.161 5 20 IIBD O=C(O[C@H]1CCCS(=O)(=O)C1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 1347170284 HRFCOYJDGBRTIT-AWEZNQCLSA-N 441.914 4.133 5 20 IIBD O=C(CC(F)(F)F)Nc1ccc(C2(NC(=O)Cc3cccc([N+](=O)[O-])c3)CCC2)cc1 1787873670 DNCHVBFIWKJGRG-UHFFFAOYSA-N 435.402 4.224 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccoc4)CCC3)cc2)ncc1[N+](=O)[O-] 1788767234 DVQLFROCWAIYJI-UHFFFAOYSA-N 448.479 4.272 5 20 IIBD Cc1occc1C(=O)NC1(c2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc2)CCC1 1790754868 JBZYCZRAWPSQPV-UHFFFAOYSA-N 435.436 4.263 5 20 IIBD COc1cc(C(=O)NC2(c3ccc(NC(=O)C4(F)CCC4)cc3)CCC2)ccc1[N+](=O)[O-] 1792057228 CCZRCGFYIIOYDB-UHFFFAOYSA-N 441.459 4.243 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)c1ccccc1 1793965546 OCVFHDTYKJYILR-KYFSNAEOSA-N 443.450 4.005 5 20 IIBD O=C(Cc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CC2(CCC2)C1 1803380382 ATWZCSNZSZERBG-REPLKXPHSA-N 445.947 4.009 5 20 IIBD C/C=C(/C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 1814846101 KKLKQYBMOUSOKE-GGNHSKRRSA-N 445.907 4.172 5 20 IIBD CC(C)(C)CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830614269 PKMHDNOVDMYGLQ-FQEVSTJZSA-N 433.524 4.403 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)Cc1ccc(Cl)c(Cl)c1 11119627 PQCQXOWJIUXJKL-SNVBAGLBSA-N 427.240 4.023 5 20 IIBD Cc1c(Cl)cccc1NC(=O)[C@H](C)OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 17044995 CDZNGOBLSRRMLJ-HNNXBMFYSA-N 445.903 4.343 5 20 IIBD CCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] 22410205 AEVDJQKHSXHHRY-UHFFFAOYSA-N 434.392 4.212 5 20 IIBD CCOC(=O)c1cc(C(=O)OCC(=O)c2sc3ccccc3c2C)cc([N+](=O)[O-])c1 24417643 WDSNNKPFWUSPCF-UHFFFAOYSA-N 427.434 4.334 5 20 IIBD COc1ccc(Cl)cc1CN1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 25202409 JNNUQYDAYUINGJ-UHFFFAOYSA-N 445.928 4.430 5 20 IIBD COc1ccc(NC(=O)CNc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c([N+](=O)[O-])c1 25715756 JYMOKTMUEWOLOX-INIZCTEOSA-N 448.479 4.145 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1 105780295 AYBIRJLNNANNMX-UHFFFAOYSA-N 433.631 4.359 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccccc1OCc1cn2cccc(C)c2n1 195711590 ZVRXQJFHGZIPSY-UHFFFAOYSA-N 446.463 4.069 5 20 IIBD Cc1ccc(Sc2ccc(CNCCN3CCC(N(C)C)CC3)cc2[N+](=O)[O-])cc1 237086928 UCBFEGHJNJZRJL-UHFFFAOYSA-N 428.602 4.170 5 20 IIBD CN(Cc1csc(Br)c1)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] 301278355 WWTBZZBVWMILOH-UHFFFAOYSA-N 441.275 4.052 5 20 IIBD C[C@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1cccc(NC(=O)c2ccccc2)c1 301927110 HZYQAPVNWIMXIR-ZDUSSCGKSA-N 445.522 4.485 5 20 IIBD Cc1cccc(C2(C(=O)N3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)CCCCC2)c1 303823182 KIVKSJAGLACWQJ-UHFFFAOYSA-N 435.524 4.090 5 20 IIBD COc1cc(Br)cc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])c1 409545056 OHVWKDNXPQSNNJ-UHFFFAOYSA-N 436.081 4.442 5 20 IIBD COc1cccc([C@@H]2C[C@H](O)CN2c2c([N+](=O)[O-])cnc3ccc(Br)cc23)c1 409653367 QLTLKBVAMZZBDL-KSSFIOAISA-N 444.285 4.226 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N[C@@H]2COc3cc(F)c(Br)cc32)cc1[N+](=O)[O-] 410189937 PEUHKYRAHAQAJB-ZUZCIYMTSA-N 438.253 4.299 5 20 IIBD CCOc1cc(NC(=O)c2ccc(C(F)(F)F)nc2OCC)c([N+](=O)[O-])cc1OCC 428300405 ZDRPVHFYQYJVIN-UHFFFAOYSA-N 443.378 4.457 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cn1 428593382 LJJPYOQCEBNXHU-CYBMUJFWSA-N 440.843 4.193 5 20 IIBD O=C(c1cc(NC[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)ccc1[N+](=O)[O-])N1CCCC1 428679482 INIOPQDQMYJYIW-VWNXMTODSA-N 441.503 4.156 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(Br)c(Cl)c2F)cc([N+](=O)[O-])c1 435861282 ISPDHWHRFGLQNQ-UHFFFAOYSA-N 431.601 4.189 5 20 IIBD Cc1csc(-c2ccc(NC(=O)C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)cc2)n1 437034289 PLBWIQBGCVXQCH-UHFFFAOYSA-N 436.493 4.156 5 20 IIBD COc1cc(Oc2ccccc2)ccc1NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 437910765 ZBFQWKXTNXIMLQ-UHFFFAOYSA-N 442.449 4.052 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cc(F)c(Br)cc1Cl 439608881 CNPNIQLUTVEAPK-UHFFFAOYSA-N 432.633 4.480 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H]1CCC[C@H]1c1ccc(C)cc1 439997135 HKELIOVVKYHOIG-AZUAARDMSA-N 425.485 4.035 5 20 IIBD O=C(NCCc1cn2c(n1)SCC2)c1ccccc1Sc1ccccc1[N+](=O)[O-] 440873667 JVXVYHCFSWRLNR-UHFFFAOYSA-N 426.523 4.021 5 20 IIBD C[C@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1ccccc1-n1cccn1 444226032 OECLFGLNEVRBJU-HNNXBMFYSA-N 426.451 4.497 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2nc3ccccc3n2C(F)F)c([N+](=O)[O-])c1 444663469 OUJLGRUVWJLDMR-NWDGAFQWSA-N 433.415 4.026 5 20 IIBD O=C(Cc1noc(-c2ccn(-c3cccc([N+](=O)[O-])c3)n2)n1)Nc1cccc2ccccc12 445336186 WKLSJJCAJWWWQT-UHFFFAOYSA-N 440.419 4.165 5 20 IIBD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NC[C@H]2CCN(c3cccc(Br)c3)C2)n1 447544670 VKKUOGKSZQVGDY-AYOQOUSVSA-N 448.365 4.154 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(c1nnc(CCc3ccco3)n1CCc1ccccc1)CC2 460444340 BRFQSZJIFDQBIJ-UHFFFAOYSA-N 443.507 4.370 5 20 IIBD CC(C)(C)n1cc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c(-c2ccc(F)cc2F)n1 460778597 MWLLWYQAJYZXFL-UHFFFAOYSA-N 443.454 4.333 5 20 IIBD C[C@@H]1C[C@H](c2ccccc2)CN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 461574009 TVPJGOHVDOWHRS-OPYAIIAOSA-N 433.512 4.272 5 20 IIBD CCCN(CCc1cccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 461638994 CAQGUYRTJAFNLG-QGZVFWFLSA-N 441.557 4.410 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCOC1 461706297 STCIZZJVTABPFR-IBGZPJMESA-N 441.557 4.290 5 20 IIBD COc1ccc(N(Cc2cc(OC)c(F)cc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1 463441022 QGVFEBHHEJKWFK-UHFFFAOYSA-N 446.456 4.147 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)N1CC[C@H](n2cccn2)C1 463445910 ROAWQRUCJUHLTP-FXAWDEMLSA-N 425.876 4.072 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccn(-c2ccc(F)cc2F)n1 463636047 RQRURCKSSRFEGH-UHFFFAOYSA-N 427.392 4.435 5 20 IIBD C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1nc(C2CCCCC2)no1 464714650 XHGVGUGBPXQYBQ-INIZCTEOSA-N 430.508 4.463 5 20 IIBD CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 469509399 XUQXZMFGANMUQW-QFIPXVFZSA-N 438.572 4.084 5 20 IIBD CCN1CC[C@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@H]1c1cc(F)c(F)c(F)c1 470144789 PCMQKAJRFSLTSQ-FUHWJXTLSA-N 426.370 4.108 5 20 IIBD O=C(Nc1nnc(-c2cc3ccccc3o2)s1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 470385967 GNJCHOSWYKLDNU-UHFFFAOYSA-N 432.421 4.298 5 20 IIBD C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 475962028 ZACSSQXFERYZTI-JKSUJKDBSA-N 431.920 4.349 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 478917238 ZHLUGLLSHSARBS-IVZQSRNASA-N 437.431 4.370 5 20 IIBD COc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3n2C(C)C)c([N+](=O)[O-])c1 481452720 UBQAODGVNJPPPJ-SFHVURJKSA-N 444.513 4.060 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NC[C@@H]3CCC4(CCCCC4)O3)cc2)c(C)c1[N+](=O)[O-] 481625784 GFHCLMNCXKKMTC-FQEVSTJZSA-N 426.517 4.068 5 20 IIBD COC(=O)CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nc2ccccc2o1 484339004 VHIRSOBOHNSCDL-UHFFFAOYSA-N 425.422 4.161 5 20 IIBD COC(=O)CCn1c(S[C@H](C)c2cc([N+](=O)[O-])ccc2C)nc2ccccc2c1=O 484670649 PXYISXGHXWFDOG-CQSZACIVSA-N 427.482 4.030 5 20 IIBD O=[N+]([O-])c1cccc(-c2ccc(CN3CCN(c4nnc(C(F)(F)F)s4)CC3)o2)c1 485704154 ZAIXZUZGRIQVNK-UHFFFAOYSA-N 439.419 4.047 5 20 IIBD CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 485795227 YPUXBQDABONXEK-UHFFFAOYSA-N 448.504 4.268 5 20 IIBD CCOC(=O)[C@H](NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccccc1 485907532 RECBCMMBFZFGTP-KSFYIVLOSA-N 448.479 4.197 5 20 IIBD CC[C@@H](c1ccccc1)N(CC(=O)OC)C(=O)c1sc(Br)cc1[N+](=O)[O-] 486288593 CCHYDBHLEVENIS-LBPRGKRZSA-N 441.303 4.185 5 20 IIBD CC[C@H](NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])c1cc(F)cc(Br)c1 486604269 NYRNRLULGMAART-AWEZNQCLSA-N 441.253 4.395 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 486843156 RBEAIBPDSLEYMC-BUKPSGGLSA-N 447.495 4.026 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1ccnn1Cc1ccc(F)cc1 488616967 SAHKXGXDYKEKCJ-UHFFFAOYSA-N 437.353 4.319 5 20 IIBD O=C(CN1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1c(-c2ccccc2)[nH]c2ccccc12 489036244 GXLVIAGMEIFHEY-UHFFFAOYSA-N 429.480 4.459 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(CCN2CCSCC2)cc1 489471657 CQAAWPJJFXAYLY-MRXNPFEDSA-N 431.583 4.305 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(C)n(-c3ccccc3Cl)n2)c(C)c([N+](=O)[O-])c1 489760709 QYCZNXGSALYOKR-UHFFFAOYSA-N 428.832 4.090 5 20 IIBD CCCN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)C(=O)Nc1ccccc1C 490033987 NOWIYTWKGNYICV-HNNXBMFYSA-N 432.908 4.234 5 20 IIBD CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 490096516 QZFAWWOHFXHFTC-PCECOYNLSA-N 429.542 4.017 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)Nc2ccc(N3CCOCC3)c3ccncc23)cc1[N+](=O)[O-] 493075494 FUJGLKHKMALNQN-MRXNPFEDSA-N 435.484 4.171 5 20 IIBD O=C(N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)c1n[nH]c2ccc([N+](=O)[O-])cc12 493559212 VPRIVPBSIHXFKC-AWEZNQCLSA-N 430.289 4.106 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc1[N+](=O)[O-] 493953525 UVJBKFRULYVZLC-HNNXBMFYSA-N 439.468 4.151 5 20 IIBD O=C(Nc1nc(CN2CCCCC2)cs1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 497500652 WNMVJJQCHOAZTE-UHFFFAOYSA-N 429.527 4.413 5 20 IIBD COc1cc(C(=O)NCc2ccc(Br)c(F)c2)c([N+](=O)[O-])cc1OC(F)F 500273714 YOCZPGGAPLLKDF-UHFFFAOYSA-N 449.179 4.036 5 20 IIBD Cc1cccc(Oc2ncccc2NC(=O)C(=O)N(C)CCc2ccccc2[N+](=O)[O-])c1C 506761860 PSTIYCNPGTXBHR-UHFFFAOYSA-N 448.479 4.039 5 20 IIBD CCOC(=O)c1c(-c2ccco2)csc1NC(=O)COc1ccc([N+](=O)[O-])cc1OC 509073029 YJBMARXORXMHHU-UHFFFAOYSA-N 446.437 4.119 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N1CCC[C@H]1c1cccc(F)c1 509384309 ROVWHORLBYWDPW-INIZCTEOSA-N 440.212 4.316 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)c([N+](=O)[O-])cc1OC 509616013 HHMJEMBLFRGBTH-UHFFFAOYSA-N 441.484 4.317 5 20 IIBD C[C@H](NC(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)c1cccc([N+](=O)[O-])c1 509702055 ZBJAJAPHTCHUSQ-LBPRGKRZSA-N 437.481 4.486 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 509718558 IAMBBBHKVIENSF-OALUTQOASA-N 425.529 4.255 5 20 IIBD CCOc1cc(NC(=O)N2CCO[C@]3(CCc4ccccc43)C2)c([N+](=O)[O-])cc1OCC 510639337 WDGDVUZYGRTPCV-HSZRJFAPSA-N 441.484 4.098 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC1(c2cccc(Cl)c2)CCOCC1 512112106 MARHBFGTFQGIQC-UHFFFAOYSA-N 431.920 4.181 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CSc2nnc(NC(C)=O)s2)cc1OC 514104164 IROVTELYMMGTOL-JTQLQIEISA-N 426.520 4.131 5 20 IIBD Cc1cc(OCc2nc(CC(=O)Nc3cccc(C(F)(F)F)c3)no2)ccc1[N+](=O)[O-] 515330655 BWUWFULIGJLBRT-UHFFFAOYSA-N 436.346 4.065 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3ccc(N4CCCC4)nc3)cc2[N+](=O)[O-])C1 515498463 JSPYWUJGHRXGCI-HDICACEKSA-N 437.544 4.002 5 20 IIBD CCCCc1c(C)nc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)nn2c1C 515570937 QXQURCLRKQTEOU-UHFFFAOYSA-N 448.936 4.376 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 515576238 WJLSKYAWIKCKDS-UHFFFAOYSA-N 448.458 4.015 5 20 IIBD CCN(CC)C(=O)COc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)cc1Cl 516515398 PUVMCRORCMROSN-UHFFFAOYSA-N 438.843 4.279 5 20 IIBD COc1cc(C(=O)NC[C@H](C2CC2)N(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 518061532 DWQXFHDIYYIAAC-QGZVFWFLSA-N 433.892 4.119 5 20 IIBD COc1ccc(S(=O)(=O)N(Cc2ccccc2F)c2ccc(F)cc2)c([N+](=O)[O-])c1 518423552 CZMKECDPKOAMAG-UHFFFAOYSA-N 434.420 4.277 5 20 IIBD COc1ccc(CNCCc2ccc3c(c2)OCO3)cc1OCc1ccc([N+](=O)[O-])cc1 521821181 CRLVFBHSAUSGMY-UHFFFAOYSA-N 436.464 4.243 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 522651613 AHPHCBKYWNIBLJ-MUUNZHRXSA-N 436.555 4.285 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N(Cc1ccc2c(c1)CCO2)C1CCCC1 524461532 ASCMDCABUHMJDI-UHFFFAOYSA-N 432.480 4.300 5 20 IIBD COCCN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(OC)c(OC)c1 525594236 NAYADIPJYWTLPW-UHFFFAOYSA-N 443.481 4.029 5 20 IIBD O=C(Nc1ccc(OCc2cccnc2)c(Cl)c1)c1cc([N+](=O)[O-])cc2c1OCCO2 530855043 RTDUABVTCKYHDQ-UHFFFAOYSA-N 441.827 4.246 5 20 IIBD COc1ccc(CC[C@H]2CCCCN2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1OC 532527724 WRQFHYTYLBICMC-HXUWFJFHSA-N 441.528 4.062 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(c2c[nH]c3ncccc23)CC1 533517702 CQQIWGAVTAXSBI-CYBMUJFWSA-N 427.892 4.331 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Cc2ccccc2)CC1 534230972 UCVZWYFCULUFLJ-UHFFFAOYSA-N 442.537 4.345 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(c2ccccc2)CCCC1 534949350 WWQXHOSKCTWNRP-UHFFFAOYSA-N 442.537 4.492 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nn(C(C)C)cc2c1 534975867 IOGVSXOCXFTZHJ-UHFFFAOYSA-N 442.497 4.433 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(NCc3coc(-c4ccc([N+](=O)[O-])cc4)n3)cc2)C[C@@H](C)O1 536302442 OVSPHNCTCYNNKH-HZPDHXFCSA-N 436.468 4.111 5 20 IIBD COc1cc(N2CCOC(C)(C)C2)ccc1N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 537457469 LBCLWPASSVPUJE-MRXNPFEDSA-N 442.516 4.048 5 20 IIBD C[C@H](N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H](OC1CCOCC1)c1ccccc1 537946354 AVIAIBGRPAVRPC-YTZAWJCFSA-N 441.528 4.227 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 538041763 ALLSDPFQDFFOLB-CWTRNNRKSA-N 444.285 4.412 5 20 IIBD O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCO[C@H](c3cccc(OC(F)F)c3)C2)c1 538763764 ULILNCFUMFSYGA-KRWDZBQOSA-N 430.354 4.371 5 20 IIBD O=C(Nc1ccccc1)C1CCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC1 539047596 UORHOSNOPYSBNB-UHFFFAOYSA-N 430.464 4.148 5 20 IIBD CC(=O)N[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(F)cc1F 541068888 XBLSBOMSMBWZAA-HNNXBMFYSA-N 431.317 4.098 5 20 IIBD CCOC(=O)c1csc(N(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C2CC2)n1 541259834 BHTWJNASBICCSQ-UHFFFAOYSA-N 441.918 4.169 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CN[C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 541281449 DLDKCLGAXNCUPM-QHCPKHFHSA-N 435.480 4.390 5 20 IIBD Cc1nnc(NC(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)n1C 543372487 MSZVYLBAHHLGPA-PTNGSMBKSA-N 434.481 4.211 5 20 IIBD COc1cc(C(=O)NC(C)(C)c2cnn(C)c2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 545289870 DQXLYBRHYUSYAJ-UHFFFAOYSA-N 444.875 4.448 5 20 IIBD Cc1c(Br)cc(-c2nc([C@H]3CC(=O)N(c4ccccc4)C3)no2)cc1[N+](=O)[O-] 545719206 OIARJHXIOYPHQT-ZDUSSCGKSA-N 443.257 4.236 5 20 IIBD COc1cc(/C=C\c2nc(CCNc3ccccc3[N+](=O)[O-])no2)ccc1OC(F)F 546375191 AMTRBXGNRRXWTK-CLFYSBASSA-N 432.383 4.413 5 20 IIBD CC(C)[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 551711148 JZHKUADBGQCBPV-IBGZPJMESA-N 437.500 4.221 5 20 IIBD COc1cccc(C(=O)NCC2(c3ccc(Br)s3)CCC2)c1[N+](=O)[O-] 553065022 UHWMTANVLSWHQE-UHFFFAOYSA-N 425.304 4.279 5 20 IIBD CCc1[nH]nc(C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)c1[N+](=O)[O-] 553642155 AKKKZPDBNXNKGJ-UHFFFAOYSA-N 426.285 4.487 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)NCc2ccccc2N2CCCCC2)cc1[N+](=O)[O-] 556529130 OQNMCDOEGMLCQQ-UHFFFAOYSA-N 438.528 4.138 5 20 IIBD COc1cccc([C@H](C)N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)CC2)c1 559564340 JXKHJONYAGTFJB-AWEZNQCLSA-N 437.418 4.141 5 20 IIBD Cc1ccc(C(C)C)c(Oc2ccc(CNC[C@@H]3CCCS3(=O)=O)cc2[N+](=O)[O-])c1 561564962 PGQBJWPHLLCCLQ-SFHVURJKSA-N 432.542 4.486 5 20 IIBD CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)c3ccc(SCCC(C)C)c([N+](=O)[O-])c3)[C@H]2C1 561753408 RAMZKZYRPPTXHX-FHWLQOOXSA-N 433.574 4.110 5 20 IIBD COC(=O)Cc1sc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 562395256 POGMEXWLDOVGFU-CYBMUJFWSA-N 425.466 4.176 5 20 IIBD C[C@@H](NC(=O)N[C@](C)(C(=O)O)c1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 562415850 QKAHGFXWVZMKMR-MGNBDDOMSA-N 426.256 4.262 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])NCCC(=O)Nc1cc(Cl)cc(Cl)c1 563975058 QGVWMSOEOZFENH-UHFFFAOYSA-N 428.297 4.139 5 20 IIBD COc1ccc(-c2ccc(CN(CCNC(C)=O)Cc3ccsc3)o2)c([N+](=O)[O-])c1 568088470 DFAARQQFWZQCSV-UHFFFAOYSA-N 429.498 4.063 5 20 IIBD CN(Cc1nc(Cc2cn3cc(Cl)cc(Cl)c3n2)no1)c1ccccc1[N+](=O)[O-] 575101262 BYEGNPQRMBONNZ-UHFFFAOYSA-N 433.255 4.160 5 20 IIBD O=[N+]([O-])c1cnn(C[C@H](O)COc2ccc(-c3nc4ccccc4s3)cc2Cl)c1 575335212 TWDOGUGQUGIDAF-AWEZNQCLSA-N 430.873 4.161 5 20 IIBD O=[N+]([O-])c1ccc(Sc2nnc3ccc(Br)cn23)c(Br)c1 577891678 KXDHJHWXILZPEA-UHFFFAOYSA-N 430.081 4.314 5 20 IIBD COc1ccc(CNCc2ccc3cnn(C)c3c2)cc1OCc1ccc([N+](=O)[O-])cc1 580926140 PHJQRSDEZKMRGJ-UHFFFAOYSA-N 432.480 4.359 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)NCc2ccnc(Oc3ccccc3)c2)cc1[N+](=O)[O-] 585756557 KGLNOIIGCGNBBD-UHFFFAOYSA-N 448.479 4.335 5 20 IIBD O=C(Nc1csc(-c2ccccc2)n1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 588079283 IHKJBSCMPLNPAT-ZDUSSCGKSA-N 428.495 4.023 5 20 IIBD COCCN1C(=O)C2(CC2)N[C@@H]1c1ccc(Oc2cc(C)ccc2C(C)C)c([N+](=O)[O-])c1 602757722 OBOPTQMZQTXFIU-QFIPXVFZSA-N 439.512 4.428 5 20 IIBD COc1ccc([C@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c2ccccc2)cc1 603616505 XQIAPBRJVAFJQT-HSZRJFAPSA-N 428.448 4.309 5 20 IIBD Cc1ccc(F)c(NC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 603645654 TZYTWUGRKXXPDI-UHFFFAOYSA-N 426.370 4.415 5 20 IIBD C[C@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(NC(=O)Cc2ccccc2F)c1 603860861 BSHSBGZNMRDLBH-AWEZNQCLSA-N 436.443 4.187 5 20 IIBD C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCCc1cc(-c2ccc(F)cc2)no1 608780171 HHUVBWIJIPSIJV-OAHLLOKOSA-N 426.448 4.281 5 20 IIBD CCN(C)C(=O)[C@H]1CSCN1C(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 608818910 JNLZLYOJVFISJX-GOSISDBHSA-N 445.566 4.048 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(OCc3cscn3)c2)c(Cl)c1 608908995 JLNCHZOHOMZZCN-UHFFFAOYSA-N 425.875 4.085 5 20 IIBD CCn1nc(C)c(CNc2ccc(C(=O)c3ccccc3C(=O)OC)cc2[N+](=O)[O-])c1C 608973660 BOGGSMVKMGXJPC-UHFFFAOYSA-N 436.468 4.058 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCc2c(C)cc(C)nc2OC)c([N+](=O)[O-])c1 608975207 XABNCICCJMZFDR-UHFFFAOYSA-N 449.463 4.245 5 20 IIBD Cc1cc(Br)ccc1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 609505453 AADKBWIKIXZGMP-LLVKDONJSA-N 427.682 4.403 5 20 IIBD O=C([C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1CCC(=Cc2cccc(F)c2)CC1 609515788 DWWZWHZXRJFAKP-SFHVURJKSA-N 443.500 4.106 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N1CCCC2(CCCCC2)C1 609535604 SNGFNJNBOGXNBK-UHFFFAOYSA-N 428.270 4.386 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 610155875 XOTPXBKPYHGGKK-UHFFFAOYSA-N 441.915 4.292 5 20 IIBD COC(=O)c1ccc(OCc2ncc(-c3cccc(Br)c3)o2)c([N+](=O)[O-])c1 610217246 LXMKIEBTEPZRBB-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD CN(C)CCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cc1 611201171 YRJRENWPUYBECB-UHFFFAOYSA-N 443.569 4.500 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(CCc2ccccc2Br)no1 612947428 VYCYIYQEWUXVMY-LBPRGKRZSA-N 445.273 4.017 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 617761743 KDSRJJUAJJAHDU-KSFYIVLOSA-N 434.496 4.101 5 20 IIBD Cc1cc(C)c(NC(=O)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(Cl)c1 618867495 WJZSWQBSTAVOBN-UHFFFAOYSA-N 429.782 4.139 5 20 IIBD COc1ccc([C@@H]2CCCCCN2C(=O)COC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1 725935106 LJZQWDQEWFFZKB-IBGZPJMESA-N 448.422 4.182 5 20 IIBD Cc1nc(CCC(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)oc1-c1ccccc1 730335899 MQNLYMZAQIDERG-MRXNPFEDSA-N 437.452 4.370 5 20 IIBD CC(C)C[C@@H](C)n1nccc1NC(=O)c1ccc(I)c([N+](=O)[O-])c1 730473172 FPVNXSFBIMAOFI-LLVKDONJSA-N 442.257 4.255 5 20 IIBD Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)c3c(Cl)cccc3[N+](=O)[O-])C2=O)cc1 731958305 RBLBMPIXNFZIGS-LFIBNONCSA-N 445.884 4.023 5 20 IIBD CC(C)[C@@H]1CCCCN1C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 735262287 BRMAKUGIFWOQST-FQEVSTJZSA-N 432.498 4.013 5 20 IIBD COc1ccc(-c2nc(CS(=O)(=O)Cc3cc([N+](=O)[O-])ccc3Cl)cs2)cc1 735561573 AEMJPPVBPHVJKH-UHFFFAOYSA-N 438.914 4.495 5 20 IIBD CC(C)(C(=O)OCc1nc(O)c2ccc(C(F)(F)F)cc2n1)c1ccc([N+](=O)[O-])cc1 740394920 OZUNJJNAYRQJSZ-UHFFFAOYSA-N 435.358 4.283 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1 743277699 BLCPWPVVRPVXAB-GOSISDBHSA-N 448.520 4.247 5 20 IIBD CC(C)COc1ccc(C(C)(C)C(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 744985365 IMISHJNBARJXLT-INIZCTEOSA-N 428.485 4.478 5 20 IIBD O=C(OCCn1ccccc1=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 745566151 DQVWTOVFWYFRRA-UHFFFAOYSA-N 430.869 4.418 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)cccc1[N+](=O)[O-] 745744299 BJPCNXVPSFZZJO-DIFFPNOSSA-N 441.267 4.204 5 20 IIBD COc1ccc2cc([C@H](C)OC(=O)CSc3ccc(C(N)=O)cc3[N+](=O)[O-])ccc2c1 745954769 AXHKBTHJDBFKOI-ZDUSSCGKSA-N 440.477 4.252 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1ccccc1OC[C@H]1CCCO1 747141597 IZJBDNAMXSSICZ-HXUWFJFHSA-N 443.499 4.456 5 20 IIBD CNC(=O)c1cc(Oc2cc(C)ccc2NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)ccn1 748807590 ICBZZRHRMOTNSV-POHAHGRESA-N 432.436 4.102 5 20 IIBD O=C(Oc1ccccc1I)c1cc([N+](=O)[O-])ccc1Br 751082587 CBIBXIWDAKKINK-UHFFFAOYSA-N 448.010 4.181 5 20 IIBD CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 751310670 UBSFXQFLPDZLFV-VFNWGFHPSA-N 443.931 4.206 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 752104238 JXANMNKUDIZDFX-NVXWUHKLSA-N 437.290 4.459 5 20 IIBD CCN(CC)[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1ccsc1 754631945 ORWDPZUJZIBLLC-HNNXBMFYSA-N 444.326 4.371 5 20 IIBD Cn1ccnc1COc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1 754636877 RMKDJQOJJSXCLD-UHFFFAOYSA-N 449.236 4.061 5 20 IIBD CC(C)n1c(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)nc2ccccc21 754975644 CLBFTZIEYGTQSZ-UHFFFAOYSA-N 435.253 4.357 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F 755063684 NSAULRVMSBABID-RYUDHWBXSA-N 438.839 4.378 5 20 IIBD CC[C@@H](NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccc(C)cc1)n1cncn1 756266438 AKACPECLIIMOMW-MJGOQNOKSA-N 428.880 4.338 5 20 IIBD O=C(NC[C@H](O)c1cc2ccccc2s1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 758315697 BPONKYVNLKGNGE-INIZCTEOSA-N 425.491 4.396 5 20 IIBD CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 758738894 KEGQBKIEINWGDU-ZDUSSCGKSA-N 449.419 4.138 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(COCC3CC3)c2)ccc1Br 760341485 BEQSXADYHLUIOU-UHFFFAOYSA-N 441.303 4.085 5 20 IIBD O=C(NC[C@H](O)c1cccc(OCc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1Cl 761598823 IWCFDHPWMIUEME-NRFANRHFSA-N 426.856 4.291 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2cc(NC(=O)OCC(F)(F)F)ccc2O)n1 762068491 GNSRXNSEFTYLER-UHFFFAOYSA-N 438.318 4.437 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 764581180 MHYWBDJNVZQUDX-UHFFFAOYSA-N 439.346 4.249 5 20 IIBD CC(C)(C)OC(=O)N1CC(CCOC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 764804486 LEGIYTHQGLKKDN-UHFFFAOYSA-N 433.486 4.132 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)CCCCCO[C@@H]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1C 766613995 NCIHTBQBMCVFQM-MAUKXSAKSA-N 440.562 4.172 5 20 IIBD Cc1sc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1[N+](=O)[O-] 767792723 ANCWUPOWVXDCQM-UHFFFAOYSA-N 433.467 4.268 5 20 IIBD CC(=O)[C@H](Cc1ccc(F)cc1F)OC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 768643339 LAZFOWCJHAIQMX-ZMZPIMSZSA-N 427.787 4.037 5 20 IIBD CCCc1c(C(=O)OCC(=O)Nc2c(C)cccc2[N+](=O)[O-])cnn1-c1cccc(C)c1 769644606 COUJDRDNTIPZDN-UHFFFAOYSA-N 436.468 4.145 5 20 IIBD Cc1cnc(CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(F)c(F)c2)s1 771654753 PUKIKANFWIUGQS-UHFFFAOYSA-N 425.438 4.033 5 20 IIBD Cc1nc(CN(c2ccc(F)cc2)S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cs1 771735068 PAERKNQPKQULKS-UHFFFAOYSA-N 439.465 4.342 5 20 IIBD O=C(Nc1ccc(OC(=O)[C@@H](O)Cc2ccccc2Cl)cc1)c1cccc([N+](=O)[O-])c1 771936501 BFXLEEOUCYVIAQ-FQEVSTJZSA-N 440.839 4.010 5 20 IIBD O=C(O)CCCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 773220579 KDOSBKNCXVRYDL-UHFFFAOYSA-N 439.512 4.039 5 20 IIBD O=C1CCCN1c1ccc(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])cc1 774656449 CGCCCTCKZHFMQL-UHFFFAOYSA-N 430.333 4.383 5 20 IIBD CSc1cccc(C(=O)O[C@@H](C)c2nc3cc(Br)cnc3[nH]2)c1[N+](=O)[O-] 777313223 VPPMVFFSDCOGDQ-QMMMGPOBSA-N 437.275 4.269 5 20 IIBD O=[N+]([O-])c1cc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCCCO2)ccc1F 777594794 WJXPKJMTBLKVAA-AWEZNQCLSA-N 444.868 4.136 5 20 IIBD O=C(O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)C1(c2cccc(Cl)c2)CCOCC1 778783961 RWPRXIOJLOTCHA-FQEVSTJZSA-N 430.888 4.119 5 20 IIBD Cc1noc2nc(C(C)C)cc(C(=O)O[C@@H]3CCN(c4ccc([N+](=O)[O-])cc4F)C3)c12 778809872 KORHXUKLZVUPCP-CQSZACIVSA-N 428.420 4.138 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@H](C)[C@H]2CCCN(C3CCC3)C2)CC1 781212573 YBFDWQZZGVNZIK-MOPGFXCFSA-N 428.577 4.214 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(COC(=O)c2cnc3ccccc3n2)cc1OC 781655068 ZTDGCGOWBLZMOL-CQSZACIVSA-N 425.441 4.329 5 20 IIBD O=C1NCC2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccc(Cl)cc3)CC2)O1 781857857 WUSAFTOHVSIPDE-UHFFFAOYSA-N 447.900 4.114 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCCC[C@H]2CN2CCCC2=O)cc1OC 782043031 WYHVUDQUULGDJG-HKUYNNGSSA-N 433.549 4.005 5 20 IIBD O=C(CCN1CCCCC[C@@H]1C[C@H](O)c1ccccc1)Nc1cc([N+](=O)[O-])ccc1F 782511519 XJQKZPRPVQYGKG-GCJKJVERSA-N 429.492 4.431 5 20 IIBD O=C(COC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H](c1ccccc1)c1cccs1 785948615 ABOCXFOHGAPWMF-NRFANRHFSA-N 444.896 4.301 5 20 IIBD O=C(c1ccc(O)cc1)C1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 786795408 KRQZEWCAOVLKJG-UHFFFAOYSA-N 439.346 4.327 5 20 IIBD O=C(NCC1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1)OCc1ccccc1 787786999 NHLLISDDNQCKQQ-UHFFFAOYSA-N 431.876 4.027 5 20 IIBD C[C@H](OC(=O)c1ccnc(Oc2ccc(F)cc2F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 789045640 SCLSFHUAMJUPDD-LBPRGKRZSA-N 443.362 4.244 5 20 IIBD O=C(NC[C@H]1CCCC(F)(F)C1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 790855622 ZHHBQAFZKQUHII-NSHDSACASA-N 432.265 4.251 5 20 IIBD Cc1cc(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)nn1[C@H](C)C1CC1 791236447 XRYGXQYQJGNVQP-GFCCVEGCSA-N 433.306 4.032 5 20 IIBD CCc1c(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cnn1-c1ccccc1Cl 791576790 NSGFHRBMTCOJFX-FQEVSTJZSA-N 439.859 4.128 5 20 IIBD O=C(COc1cc(F)c([N+](=O)[O-])cc1Cl)N1N=C(c2ccco2)C[C@@H]1c1ccco1 795257208 SINXBEKBPCGSJV-OAHLLOKOSA-N 433.779 4.330 5 20 IIBD CCCc1[nH]nc(C(=O)O[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)C(C)C)c1[N+](=O)[O-] 796260834 WKJPPORZIJKDRT-MRXNPFEDSA-N 443.287 4.397 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)CC(C)(C)CC(=O)c2ccccc2)cccc1[N+](=O)[O-] 799568429 MPUSEAQQCXQPDC-MRXNPFEDSA-N 426.469 4.463 5 20 IIBD CC(C)[C@@H](NC(=O)COC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 800776291 HRGKNGZICGZSDU-GOSISDBHSA-N 435.274 4.028 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCCC(=O)OC2CCCCC2)cc1[N+](=O)[O-])c1ccccn1 801081940 UXOZUUUXYHDOGX-INIZCTEOSA-N 440.500 4.159 5 20 IIBD Cc1c(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])c(=O)oc2ccc(Br)cc12 804178132 FCRYMSLMXAJLRI-UHFFFAOYSA-N 445.269 4.087 5 20 IIBD O=C(COC(=O)C1(c2cccnc2)CCCC1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 808565070 AVVJPEQJEWWJOE-UHFFFAOYSA-N 437.374 4.002 5 20 IIBD O=C(N[C@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1)c1cc2ccccc2o1 809919558 CBXSDAQHDQOLTR-AWEZNQCLSA-N 442.859 4.421 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(N3CCCCC3=O)cc2)cc1SC 811007774 SEGKRPKOVNBNDB-CQSZACIVSA-N 443.525 4.333 5 20 IIBD CCOc1ccc([C@H](O)C2CCN(C(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)CC2)cc1 812675282 DMPMURSWNBWCCE-ZHRRBRCNSA-N 444.553 4.446 5 20 IIBD O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)Nc1cccc([N+](=O)[O-])c1Cl 813243795 YSJKUAOEXHQRER-UHFFFAOYSA-N 446.897 4.387 5 20 IIBD CN(C)c1cc(F)c(C(=O)OCc2nc3cc(Br)ccc3o2)cc1[N+](=O)[O-] 814484951 QTZJBVDYONEQPW-UHFFFAOYSA-N 438.209 4.061 5 20 IIBD Cc1cc(Cl)c(C(=O)OCc2csc(-c3ccc(C(N)=O)cc3)n2)cc1[N+](=O)[O-] 815407229 LTIKZQGGLBCLPP-UHFFFAOYSA-N 431.857 4.136 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)Nc1ccccc1OC(F)F 815510288 QSHFMRDKPAXRJD-UHFFFAOYSA-N 434.273 4.011 5 20 IIBD CC(C)(C)OC(=O)N1CCc2nc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])sc2C1 861220296 SAQPNZTZCQRFDS-UHFFFAOYSA-N 438.893 4.250 5 20 IIBD Cc1cccc(-n2ncc(C(=O)O[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2C)c1 900173320 BPQUQESNXWVVJF-AWEZNQCLSA-N 442.859 4.235 5 20 IIBD Cc1c(C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cnn1-c1ccc(Cl)cc1 914800425 DFALQEDHIUVUDT-UHFFFAOYSA-N 439.815 4.149 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 915663303 JIWBONOXURIKPG-LBPRGKRZSA-N 440.374 4.033 5 20 IIBD CCOc1cc(C(=O)Nc2cc(Cl)ccc2C(=O)NC(C)C)c([N+](=O)[O-])cc1OC 916498127 NPMZUQQDRFRBMG-UHFFFAOYSA-N 435.864 4.046 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1C)NC(=O)OC(C)(C)C 916669171 OWZAXEHIJYZUCS-QGZVFWFLSA-N 444.488 4.299 5 20 IIBD O=[N+]([O-])c1ccc(OC(F)F)c(NS(=O)(=O)c2ccc(OC3CCCC3)cc2)c1 917739510 IKDWOQPLXBJLMF-UHFFFAOYSA-N 428.413 4.318 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2OC(F)(F)F)cc1Br 918153931 UUJAZPFWOADKLM-UHFFFAOYSA-N 441.181 4.057 5 20 IIBD Cc1ccc(S(=O)(=O)N(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c2ccc(O)cc2)cc1 920152307 OKHAFQOIBVQOFP-GIDUJCDVSA-N 438.461 4.044 5 20 IIBD COc1ccc(C(=O)COC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 920546487 KFNDKYLYMOADSL-HNNXBMFYSA-N 435.436 4.211 5 20 IIBD Cc1cc(C(=O)N(c2ccc(O)cc2)S(=O)(=O)c2ccc(C)s2)cc([N+](=O)[O-])c1 920840204 VBYRZLUKGNOCID-UHFFFAOYSA-N 432.479 4.014 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CNC[C@@H](O)COc2ccc(F)c(F)c2)o1 1116013598 IUGKWMYTBXZBBV-CYBMUJFWSA-N 438.814 4.316 5 20 IIBD COC(=O)Nc1cc(-c2nnc(COc3ccccc3[N+](=O)[O-])o2)cc(C(F)(F)F)c1 1322151733 SCDQEYRJKWXTJL-UHFFFAOYSA-N 438.318 4.421 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(c1nnc(CCc3ccccc3)n1C[C@@H]1CCCCO1)CC2 1323988234 NNGZRWQAGNLAND-QHCPKHFHSA-N 447.539 4.103 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc(F)s3)cc2)CCC1)c1ccc([N+](=O)[O-])o1 1786976795 GUEMOHXWSMIGMZ-UHFFFAOYSA-N 429.429 4.450 5 20 IIBD O=C(Cc1cc(F)ccc1[N+](=O)[O-])Nc1ccc(C2(NC(=O)[C@H]3CC3(F)F)CCC2)cc1 1792308889 YJVUNPGWFIDMGE-QGZVFWFLSA-N 447.413 4.066 5 20 IIBD O=C(Cc1ccc(Cl)cc1[N+](=O)[O-])N1CCCC2(CCN(C(=O)C3=CCCC3)CC2)C1 1805480675 UTJIUJMQFCJQEV-UHFFFAOYSA-N 445.947 4.132 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC2(CCCN(C(=O)c3cc4ccoc4s3)C2)CC1 1810502888 ZUNTUTDNYKUGAU-UHFFFAOYSA-N 443.481 4.154 5 20 IIBD O=C(c1ccccc1Cl)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823614345 XUHMMVPRXPCBKL-GOSISDBHSA-N 445.903 4.388 5 20 IIBD Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)cc1 1830058656 QTISFMXNRARLHR-DEOSSOPVSA-N 449.551 4.379 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccco2)CC1 1830728406 LJETWEVZFWFTDY-IBGZPJMESA-N 443.475 4.182 5 20 IIBD C/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)CC1 1831335143 SZLFSRGYDURLQM-AZFAAHJESA-N 439.556 4.212 5 20 IIBD CC/C=C(\C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1832519499 GWLHWSDIKLCWPN-GFZYJOBSSA-N 431.508 4.324 5 20 IIBD Cc1ccc(C)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)c1 1832568976 FYNUXSFNOJBRIV-NRFANRHFSA-N 438.528 4.087 5 20 IIBD C[C@@H](C(=O)N1CCCC12CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C2)c1ccc(Cl)cc1 1841198996 JUKBYLXGQNPIQQ-CQSZACIVSA-N 445.878 4.008 5 20 IIBD C[C@H](C(=O)N1CC2(CCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1)c1ccc(Cl)cc1 1845402306 ONADKTLSCHBXMY-AWEZNQCLSA-N 445.878 4.008 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)Cc1ccc(Br)cc1 3540530 MXNYKYTWBOFDNI-LLVKDONJSA-N 426.698 4.470 5 20 IIBD CCCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nc2cc(Cl)ccc2c1=O 9398687 HZNDRKJOBUTVMD-UHFFFAOYSA-N 446.916 4.407 5 20 IIBD O=C(CSc1nnc(NCc2ccccc2)s1)Nc1ccc(Cl)c([N+](=O)[O-])c1 11410121 RRUSAOHITRWOTR-UHFFFAOYSA-N 435.918 4.443 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NCC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1 15084967 NDOHTEUCUYLUDW-HXUWFJFHSA-N 434.452 4.295 5 20 IIBD O=C(Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccccc1[N+](=O)[O-] 15630472 HCLIEHOEJISXCY-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD Cc1ccc(-c2nnc([C@H](C)OC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)o2)cc1 17727229 FDVOUMULGRQMLE-INIZCTEOSA-N 436.468 4.474 5 20 IIBD O=C(COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)N[C@H](c1ccc(F)cc1)c1cccs1 18187404 MFRMAPAVQDCEKY-HLTWJZBHSA-N 440.452 4.258 5 20 IIBD C[C@H](OC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1Br 22243450 SWNKLNVDPBKJRS-NSHDSACASA-N 448.273 4.116 5 20 IIBD Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCc2nc(CC(C)C)no2)n1 22526073 REXPSOHORGGZJT-UHFFFAOYSA-N 434.499 4.449 5 20 IIBD COc1ccc(OCC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)c([N+](=O)[O-])c1 24636448 DCJWBBRLXRZVPB-INIZCTEOSA-N 443.506 4.483 5 20 IIBD COc1ccccc1[C@@H](C)NC(=O)[C@H](C)OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 25374963 ONDOCYSDPMSIMP-OLZOCXBDSA-N 428.466 4.241 5 20 IIBD O=C(COC(=O)Cc1coc2cc3c(cc12)CCC3)Nc1ccc([N+](=O)[O-])cc1Cl 28918481 OEKCUQNILMJENH-UHFFFAOYSA-N 428.828 4.208 5 20 IIBD COc1ccc(CN(C)C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1OC(F)F 33079507 LDEWLGCTFDHAJT-GFCCVEGCSA-N 426.441 4.344 5 20 IIBD CCCCN(CC)C(=O)c1ccccc1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C 63492327 XTGFLHXKGQOOAP-UHFFFAOYSA-N 433.530 4.275 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1nn(-c2ccccc2)c2c1CCC2 64421483 BJEAMTNAYVZSJW-CQSZACIVSA-N 440.887 4.006 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCc2cccc(CN(C)C)c2)cc1[N+](=O)[O-])c1ccccn1 64860577 XTUFXKMXMHQSHY-KRWDZBQOSA-N 433.512 4.155 5 20 IIBD CN(C(=O)CN(CCCO)C(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 111217952 ZSMPKFDNLFTJCN-UHFFFAOYSA-N 433.508 4.032 5 20 IIBD C[C@H](NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)NCc1ccco1 237555589 HOTQMANYMLUUQN-AWEZNQCLSA-N 429.860 4.428 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCC(Oc2ccc(F)nc2)CC1 302701456 ICALLIDKOZCGLN-UHFFFAOYSA-N 430.314 4.104 5 20 IIBD C[C@H](CCc1ccc(Br)cc1)NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 303458398 KRAMGSNGEFZNSM-GFCCVEGCSA-N 444.285 4.362 5 20 IIBD COc1ccc(CSCC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1[N+](=O)[O-] 409585948 ROFMUURUFBQFTC-UHFFFAOYSA-N 435.527 4.087 5 20 IIBD CN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@H](c1ccc(Cl)cc1)c1cnccn1 427439168 OAALSUOHSSPPGP-OAQYLSRUSA-N 425.876 4.088 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1 427785817 REKDVBXUUVUELG-UHFFFAOYSA-N 439.493 4.019 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccnn1Cc1ccc(Br)cc1 429571926 FJSFEZMPVLVBEK-UHFFFAOYSA-N 444.289 4.266 5 20 IIBD COc1cccc(C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)c1[N+](=O)[O-] 435915475 QZHPHCDGWUWYNA-UHFFFAOYSA-N 445.229 4.201 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCCN(c2ccccc2)CC1 436081526 PVXRAPFGSIBEMB-UHFFFAOYSA-N 433.458 4.312 5 20 IIBD CC(C)Oc1cc(Br)cc(NC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 436104376 UYEKNZIFCYZBMG-UHFFFAOYSA-N 448.277 4.343 5 20 IIBD CCO[C@@H]1C[C@H](NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])[C@]12CCCO2 441280834 DFBGASWMISOFMA-TUNNFDKTSA-N 428.510 4.202 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 443949752 SVQDPRXGTNOZPV-IAGOWNOFSA-N 426.517 4.143 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccccc1CN1C[C@H](C)O[C@H](C)C1 443951292 SZOFCFIGNYACIO-CALCHBBNSA-N 426.517 4.143 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCC[C@H](Cn2ccnn2)C1 443959333 HUZFAQMTJKXNPZ-HNNXBMFYSA-N 441.875 4.184 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N(CCCO)[C@@H]1CCCc2ccccc21 444024685 XSIPNGPTPGSMQD-GOSISDBHSA-N 435.427 4.490 5 20 IIBD CCc1ccc(NC(=O)Cc2noc(CSCc3ccc(OC)c([N+](=O)[O-])c3)n2)cc1 445318020 FTPYTETXQLGGQY-UHFFFAOYSA-N 442.497 4.163 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(CC(F)(F)F)[C@H]3CCCOC3)cc2[N+](=O)[O-])C1 446202829 XYNGVJIDLCDGAL-INMHGKMJSA-N 443.466 4.261 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@H](C(C)C)c2ccccc21 446913935 WKMMPVAFWADUAR-UXHICEINSA-N 441.553 4.233 5 20 IIBD O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 446925078 LOIVKXBSOGGCMS-UHFFFAOYSA-N 431.374 4.390 5 20 IIBD O=C(Nc1ccccc1CN1CCOCC1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 447394187 KYEZMTDSAJWURY-UHFFFAOYSA-N 447.491 4.258 5 20 IIBD CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CC(F)(F)F)CC1 460786825 MQMJUTJFALMTJV-UHFFFAOYSA-N 441.454 4.449 5 20 IIBD Cn1cc(C(=O)NCC(C)(C)c2c(F)cccc2Cl)c(-c2ccc([N+](=O)[O-])cc2)n1 464147259 YZPJULGBCKGIHC-UHFFFAOYSA-N 430.867 4.495 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])N(CCCOc1ccccc1)C1CCOCC1 464174744 COQRUUABIBOECP-UHFFFAOYSA-N 430.526 4.164 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(Oc3ccccn3)c2)cc1OC 464904827 PPJVUPGDTQKMCJ-UHFFFAOYSA-N 439.424 4.068 5 20 IIBD Cn1cc(C(=O)NCc2cc(Cl)ccc2OC(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 465285711 PCHKRDPAAOUNOD-UHFFFAOYSA-N 436.802 4.180 5 20 IIBD CCCN(Cc1c(F)cccc1Cl)C(=O)[C@H](CC)Nc1c([N+](=O)[O-])c(C)nn1C 468530712 ULZKPLGGWCBQLO-INIZCTEOSA-N 425.892 4.059 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)c1 469493786 KLVPCVUBFHQLLB-QGZVFWFLSA-N 427.448 4.368 5 20 IIBD COC(=O)COc1ccc(CN2CC[C@H](c3cccc(C(F)(F)F)c3)C2)cc1[N+](=O)[O-] 475095312 SOLNIYHRYFRBCI-INIZCTEOSA-N 438.402 4.155 5 20 IIBD CCOc1cc(N2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3Cl)CC2)ccc1[N+](=O)[O-] 477379822 MWKKFNYKENUJIE-ROUUACIJSA-N 429.904 4.099 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cc(Br)ccc1N1CCCC1 478224608 HPXMCDMWKIFBJY-UHFFFAOYSA-N 434.290 4.365 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3ccc(CC(=O)NC(C)C)cc3)cc2[N+](=O)[O-])CC1 482394556 ONKYSAGPKCTPGF-UHFFFAOYSA-N 438.528 4.151 5 20 IIBD CCCCn1ncc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c1C(C)C 482721808 KWXKKYXUMFDJCW-HNNXBMFYSA-N 433.534 4.020 5 20 IIBD C[C@H](NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc[nH]n1 483090817 DFODBYIPZVDZIA-JTQLQIEISA-N 437.403 4.374 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)cc1SC 483350303 MLAODIZYOPBIHD-UHFFFAOYSA-N 443.525 4.133 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(CC(=O)Nc2ccc(F)cc2)C(C)(C)C)cc1SC 484213151 RQELNRPOEHQYIT-UHFFFAOYSA-N 449.504 4.344 5 20 IIBD O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 484530081 DZFWEIWEHAZNGX-NRFANRHFSA-N 439.903 4.001 5 20 IIBD O=C(Cn1cccn1)Nc1cccc(CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)c1 485402420 INWBNVJZSHZMFD-UHFFFAOYSA-N 446.442 4.243 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)cc1NS(C)(=O)=O 485968315 RPRUFPCLCDFAIK-UHFFFAOYSA-N 437.543 4.275 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(C3CC3)nc3onc(C(C)C)c23)c(C)c([N+](=O)[O-])c1 485972323 ANEGLGBMRSOJJQ-UHFFFAOYSA-N 438.440 4.479 5 20 IIBD CSc1cccc(C(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)c1[N+](=O)[O-] 486212195 HQAZDFCLTNYNHX-UHFFFAOYSA-N 434.477 4.167 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2CCC[C@@H]2c2cccnc2)c([N+](=O)[O-])c1 486437523 XAMPSJMTVULWBO-HXUWFJFHSA-N 431.448 4.349 5 20 IIBD CCOC(=O)c1ccnc(N2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)c1[N+](=O)[O-] 488481285 SYGDGEGWBPQBPH-LRDDRELGSA-N 439.390 4.152 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccc(C)cc3C)o2)c([N+](=O)[O-])c1 488809955 OUGDDBXWRLTEOD-ZDUSSCGKSA-N 428.470 4.390 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCSC[C@@H]1c1ccc(Cl)cc1 489896577 ADJQKAITXDESHW-LJQANCHMSA-N 428.901 4.364 5 20 IIBD CCN(CC)c1nc2sc(C(=O)Nc3n[nH]c(-c4cccc([N+](=O)[O-])c4)n3)cc2s1 490361252 DQGVOQBPURQSFR-UHFFFAOYSA-N 443.514 4.150 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)N1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 491060456 KTTHQYMGYKZATQ-ZCLUNYJNSA-N 427.888 4.110 5 20 IIBD C[C@H]1Oc2ccc(C(=O)C3CCN(Cc4c(Cl)cccc4[N+](=O)[O-])CC3)cc2NC1=O 491852349 OICJBPKSCSHAHJ-CYBMUJFWSA-N 443.887 4.063 5 20 IIBD C[C@@H](CCN(C)C)NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 498648512 IBEYUTWCFVEDCR-ZDUSSCGKSA-N 430.555 4.426 5 20 IIBD CC[C@@H](NC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1)c1cccc([N+](=O)[O-])c1 499105121 ZNVVDBDPMNPEKF-GDBMZVCRSA-N 439.438 4.387 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N(C1CC1)[C@H]1CCCc2ccccc21 500231044 AGRGYRWLPNLJND-FQEVSTJZSA-N 435.480 4.352 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N(Cc2cccc(F)c2)C2CCCC2)cc1OC 500576735 LHQGDZVACXGEIH-UHFFFAOYSA-N 446.475 4.353 5 20 IIBD COc1cc(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)ccc1OCC(F)(F)F 500723655 WJHRZJOKOVJOCZ-GFCCVEGCSA-N 444.431 4.342 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] 500919398 OIVWEGUHMGCOBG-CQSZACIVSA-N 449.529 4.389 5 20 IIBD CN(c1ccccc1)S(=O)(=O)c1cccc(NCc2c(F)cc([N+](=O)[O-])cc2F)c1 506282905 PNBQJRRSRQPCLS-UHFFFAOYSA-N 433.436 4.310 5 20 IIBD CCCOc1ccc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1OC 506781028 RBNDXJJOCCGIIE-UHFFFAOYSA-N 430.504 4.269 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1 508160077 NJDOLLOYCUFCDY-UHFFFAOYSA-N 441.871 4.358 5 20 IIBD Cc1cc(C)n2nc(CC(=O)Nc3c4ccccc4n4c(C)nc5ccccc5c34)nc2n1 509654264 CNWUTRZHXFSVOU-UHFFFAOYSA-N 435.491 4.185 5 20 IIBD Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)cc1 509953152 QTMDSOWOOBKMNV-UHFFFAOYSA-N 440.459 4.195 5 20 IIBD CCSc1ccc([C@H](C)NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 510227096 HEDSFCXDDNHRQM-NSHDSACASA-N 439.440 4.124 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NC[C@@H](CC(C)C)N(C)C)cc1[N+](=O)[O-] 511062382 KAYSYOSIZVFZFJ-QGZVFWFLSA-N 443.569 4.254 5 20 IIBD CCCN(C(=O)c1cc(OC)c(OCCOC)cc1[N+](=O)[O-])[C@@H]1CCc2ccccc2C1 511384267 OPOTUUOPYKTTDN-LJQANCHMSA-N 442.512 4.038 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)CCCC(F)(F)F 511400777 WPICBCBEZHVIQM-MRVPVSSYSA-N 444.191 4.359 5 20 IIBD Cc1nn(C)c(C(=O)Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)c1[N+](=O)[O-] 512952767 MHAYKLOBVFNMFH-UHFFFAOYSA-N 428.836 4.186 5 20 IIBD Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 512961687 UAWBHUIMGZZWAE-UHFFFAOYSA-N 426.904 4.294 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 514213060 CSFMVJSTVOXZPN-IBGZPJMESA-N 434.899 4.066 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl 515113556 NXBWPBSVGLASKF-UHFFFAOYSA-N 427.244 4.013 5 20 IIBD C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 518367911 VHNMKZIICYUJML-VFNWGFHPSA-N 429.904 4.451 5 20 IIBD O=C(CCN1CCCCC1)Nc1cccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1 518741817 LOTJQIOAXMTKCE-UHFFFAOYSA-N 435.484 4.143 5 20 IIBD CCOc1ccc([C@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2CC)c2ccccc2)cc1 519786815 ARYZVRUKNXLYAH-HSZRJFAPSA-N 447.491 4.400 5 20 IIBD CCOc1cc(NC(=O)NCc2ccccc2Br)c([N+](=O)[O-])cc1OCC 520171672 YBZRSGSCZMNKBB-UHFFFAOYSA-N 438.278 4.476 5 20 IIBD C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] 521488813 YSFORGQOQCPGJJ-ZMZPIMSZSA-N 436.331 4.369 5 20 IIBD CNc1ccc(C(=O)N2CCCC[C@@H]2CCc2ccc(OC)c(OC)c2)cc1[N+](=O)[O-] 523834723 HIEZPEGIPKPCEZ-GOSISDBHSA-N 427.501 4.281 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2nnc(-c3cc(C)cc(C)c3)s2)cc([N+](=O)[O-])c1 524510989 MBBIJVFDBWADBA-UHFFFAOYSA-N 426.454 4.159 5 20 IIBD COc1ccc(N(C(C)C)S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1F 525882975 HXZLSKFALGCUNJ-UHFFFAOYSA-N 447.282 4.109 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCCc3nnc(-c4ccccc4)o3)cc2[N+](=O)[O-])C1 531814474 IFHRPQPHKTZJQU-IAGOWNOFSA-N 449.511 4.100 5 20 IIBD CN(C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 535804608 LVEXDGYGVYLSTN-KKLQWCBXSA-N 429.492 4.210 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 537558037 QUFAHQCEXIGTGW-ADLMAVQZSA-N 442.463 4.348 5 20 IIBD CN(CCc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1)C1CC1 538132614 ZYXLJCOUFJEOJR-UHFFFAOYSA-N 443.447 4.051 5 20 IIBD CC(=O)c1cccc(OCc2cc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)no2)c1 538859068 HUUPHDZCDCFWBN-UHFFFAOYSA-N 435.436 4.169 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O 540782260 QLVHTLVDHJEXOX-LJQANCHMSA-N 427.526 4.018 5 20 IIBD CC[C@@H](N[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1c(C)noc1C 541638915 ZXRWPIFTFDKAAL-MLGOLLRUSA-N 429.502 4.391 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2oc3ccc(OC)cc3c2C)c([N+](=O)[O-])c1 541653094 FPJGLLLABSRCBX-KGLIPLIRSA-N 427.457 4.344 5 20 IIBD COc1ccc(CSCC(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] 542590393 QPKQZCLWKWHWSA-WIYYLYMNSA-N 448.516 4.354 5 20 IIBD C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 543130883 XMBYXPVUVRNKFD-DOTOQJQBSA-N 433.961 4.367 5 20 IIBD C[C@@H](C(=O)N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1)c1ccc([N+](=O)[O-])cc1F 543489083 NFSKOBNLGALHFK-KOSHJBKYSA-N 425.504 4.352 5 20 IIBD COc1ccc(CSCC(=O)N2CCc3c2cccc3C(F)(F)F)cc1[N+](=O)[O-] 544718386 FAXRBRPBXDJXCV-UHFFFAOYSA-N 426.416 4.445 5 20 IIBD COc1ccc(-c2nnc(Sc3ncc([N+](=O)[O-])cn3)n2C2CCCCC2)cc1OC 544857890 XZMQDQJMUPTORO-UHFFFAOYSA-N 442.501 4.317 5 20 IIBD COc1ccc(Cc2noc(-c3ccn(-c4cccc([N+](=O)[O-])c4)n3)n2)c(Cl)c1OC 546366724 NXIVDEXSDWUDHH-UHFFFAOYSA-N 441.831 4.092 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(COc3ccc4cc(Br)ccc4c3)n2)nc1 547191380 BBONJFVAEBPYOH-UHFFFAOYSA-N 441.241 4.458 5 20 IIBD CCN(Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)C(C)=O 550200229 CDWXGFMSXIPZAC-UHFFFAOYSA-N 434.290 4.286 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCCc3ccc4n[nH]cc4c3)cc2[N+](=O)[O-])n1 552218562 YIDXGFZEHFLSEA-UHFFFAOYSA-N 439.522 4.360 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 555862444 PBZXZYTWIBYMCN-MZHQLVBMSA-N 439.331 4.236 5 20 IIBD C[C@H](NC(C)(C)CNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ccccc1 556564943 UWJHDRVNICBROD-INIZCTEOSA-N 440.544 4.076 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cc(Br)sc1Br 557363250 JKBJMMWGZNNISS-UHFFFAOYSA-N 448.136 4.496 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1ccc(F)cc1F)C1CCCC1 565511683 VAHIWHWCHUGXSL-UHFFFAOYSA-N 431.439 4.345 5 20 IIBD C[C@H](C(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccco1)c1cccc([N+](=O)[O-])c1 567826038 TVZLWRYJAJMAQT-KRWDZBQOSA-N 447.491 4.413 5 20 IIBD O=C(c1csc([N+](=O)[O-])c1)N(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 573470753 QAIWHVAJXLKKJH-OAQYLSRUSA-N 436.537 4.358 5 20 IIBD O=C(NCc1ccc(C2CCCCC2)cc1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 577014367 AQQVCUNZPPROPK-UHFFFAOYSA-N 435.480 4.226 5 20 IIBD COc1ccc([C@@H](Cc2ccccc2)NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 581160684 GIFKJJQAGDWNRP-HSZRJFAPSA-N 431.492 4.066 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H](CN1CCCCC1)c1ccccc1 589881027 GIUJNGYJKMRNKF-XMMPIXPASA-N 439.559 4.498 5 20 IIBD O=C(N=c1cc(-c2ccccc2)[nH]c2ccccc12)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 603549272 NLMROUNCQNMZPC-UHFFFAOYSA-N 436.431 4.065 5 20 IIBD CC[C@@H]1CN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)CCO1 603553756 QTQOVCYLODNEQD-APWZRJJASA-N 448.317 4.148 5 20 IIBD COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 603933548 JUGXYYLJAMVJMH-UHFFFAOYSA-N 442.493 4.003 5 20 IIBD CC(C)N(Cc1ccc(Br)cc1)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 608934975 FJBLCZWXFDGTDS-UHFFFAOYSA-N 435.274 4.179 5 20 IIBD CCCc1ccc(-c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)n(CCO)n2)cc1 608943839 INZWHUCYJUEPQF-UHFFFAOYSA-N 428.876 4.309 5 20 IIBD CCOc1cc(C(=O)NCCCc2cccc(Br)c2)c([N+](=O)[O-])cc1OC 609410793 ZAQOYQJNMCHDEF-UHFFFAOYSA-N 437.290 4.127 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1 609557688 WXWSTDWZOKHKTD-UHFFFAOYSA-N 439.855 4.082 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O 609616269 YWLQPTJSEXEXTJ-HNNXBMFYSA-N 442.781 4.194 5 20 IIBD CC(C)(NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1nccs1 609699532 BVVWMVWTSDRTIQ-UHFFFAOYSA-N 442.463 4.338 5 20 IIBD O=C(NCC(=O)N(Cc1cccc(F)c1)C1CCCC1)c1c(Cl)cccc1[N+](=O)[O-] 609766638 WHDPOEALTBMWNN-UHFFFAOYSA-N 433.867 4.089 5 20 IIBD Cc1cccc([C@H]2CCCCCN2C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 609795991 KJFIXAVZZHGADN-GOSISDBHSA-N 427.526 4.238 5 20 IIBD COC[C@H](NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 609817320 UOVLXJCNTBNTPY-AWEZNQCLSA-N 444.431 4.462 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(C[C@@H](O)COc3ccc(Cl)c(Cl)c3)CC2)cc1 610336874 TYPOYHWIFPBIJP-OAHLLOKOSA-N 441.311 4.185 5 20 IIBD O=C(CCc1nc(O)c2ccccc2n1)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] 615040789 KXQQTXNONIORHF-UHFFFAOYSA-N 444.447 4.394 5 20 IIBD C[C@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccc2nc(O)[nH]c2c1 681961777 OWNOVLRHOFUFCI-JTQLQIEISA-N 434.402 4.032 5 20 IIBD Cc1ccc(-c2cc(COC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)on2)cc1 726675131 QKFQYGUCQCISPO-JOCHJYFZSA-N 449.463 4.215 5 20 IIBD O=C(COC(=O)CCc1ccc(OC(F)(F)F)cc1)Nc1ccc(Cl)cc1[N+](=O)[O-] 727534669 IPPDMACENJNLIU-UHFFFAOYSA-N 446.765 4.261 5 20 IIBD COc1cc(CNC[C@@]2(O)CCCc3ccccc32)ccc1OCc1ccc([N+](=O)[O-])cc1 731360580 JHGFHOIIDQGVNC-SANMLTNESA-N 448.519 4.496 5 20 IIBD Cc1[nH]c2ccc(Br)cc2c1CC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 731708681 HPTNBSPNLGFPSO-UHFFFAOYSA-N 431.242 4.116 5 20 IIBD CC1=C(C(=O)N(C)C)[C@@H](c2ccc(C)c([N+](=O)[O-])c2)NC(=S)N1c1ccc(C)c(F)c1 732088788 XEDNKMLJJSSYJS-HXUWFJFHSA-N 442.516 4.149 5 20 IIBD Cc1c(C(=O)Nc2cccc(CNC(=O)OC(C)(C)C)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 732124689 PVZHMVRHUAKQGL-UHFFFAOYSA-N 430.417 4.088 5 20 IIBD COC(=O)CCN(Cc1ccc(F)c(F)c1)Cn1c(=S)oc2ccc([N+](=O)[O-])cc21 732181723 KUZSJRMSRVBBIS-UHFFFAOYSA-N 437.424 4.173 5 20 IIBD CCN(C(=O)COC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1cccc2ccccc12 735352946 PMYWGBRIJDVPJU-UHFFFAOYSA-N 445.431 4.212 5 20 IIBD CC(C)(C)c1nnc(COC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)o1 736864971 WWEATUXPNKOGIF-UHFFFAOYSA-N 440.243 4.125 5 20 IIBD CCc1nc(C)c([C@H](C)OC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)s1 741951711 WXWDFAQOUVILNO-YOEHRIQHSA-N 431.514 4.140 5 20 IIBD COc1ccc(OC(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c([N+](=O)[O-])c1 744034377 HIJJDZRJJLTOET-KUHUBIRLSA-N 430.457 4.411 5 20 IIBD C[C@@H](CCc1ccccc1F)C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 744116876 NFXGLXABDMJJLX-WMZOPIPTSA-N 428.460 4.151 5 20 IIBD Cc1cc(O)nc(-c2cccc(OC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)c2)n1 744218137 VYLQVMSSJXYVHX-UHFFFAOYSA-N 434.433 4.409 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1 745548408 ZGCSAPJYIMEVSX-UHFFFAOYSA-N 428.319 4.071 5 20 IIBD CCN(CC1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1)C(=O)OC(C)(C)C 745987383 DAHORCLKKZCEIW-UHFFFAOYSA-N 448.564 4.201 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2cc(C(C)C)n(C)n2)c2ccccc2)c([N+](=O)[O-])c1 747014909 PJYZXXHOAIJWFH-NRFANRHFSA-N 436.468 4.297 5 20 IIBD CC(C)N1CCN(c2ccc(C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)cc2)CC1 749161662 DHURBDZFYODEGB-UHFFFAOYSA-N 430.936 4.051 5 20 IIBD Cc1ccccc1-n1c(SC[C@H](O)c2cccc([N+](=O)[O-])c2)nnc1-c1ccncc1 749640178 ONNKBMAVYPAZPJ-FQEVSTJZSA-N 433.493 4.372 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)O[C@@H](c2cccc(Cl)c2)C(F)(F)F)cc1[N+](=O)[O-] 750216015 IXVPICLCHMYBCD-AWEZNQCLSA-N 437.779 4.112 5 20 IIBD O=C(NCCc1ccc(OC(F)(F)F)cc1)c1cc([N+](=O)[O-])ccc1Br 751089134 HEZKGBRNRVJVPT-UHFFFAOYSA-N 433.180 4.228 5 20 IIBD O=C(Oc1cccc(Oc2ncccn2)c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 751193076 ZVWHLJUPGQRWBE-UHFFFAOYSA-N 435.314 4.337 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCC(OC[C@@H]2CCCO2)CC1 751345514 XIFFHQSFFVTJQT-NRFANRHFSA-N 439.512 4.007 5 20 IIBD CSc1nc2ccc(NC(=O)C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)cc2s1 752136842 OSMOEESRNORLBT-NSHDSACASA-N 430.511 4.051 5 20 IIBD C[C@@H](OC(=O)Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 752883632 LJASXUACRCRCDH-SNVBAGLBSA-N 430.766 4.380 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N[C@H](C)c2cc(F)ccc2N2CCC(O)CC2)cc1[N+](=O)[O-] 752949008 CLIUCQAMXZDXQB-HZPDHXFCSA-N 444.507 4.125 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)OCc2cc3c(Cl)cccc3[nH]2)cc1[N+](=O)[O-] 754715223 LRCAMZBJOUHKIK-UHFFFAOYSA-N 443.872 4.366 5 20 IIBD CCOc1cc(CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC)ccc1[N+](=O)[O-] 754900916 MOYXUDZHMJCMPX-UHFFFAOYSA-N 429.458 4.472 5 20 IIBD C[C@H](OC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(Cc2ccccc2)C1 755868331 HUDZXVBYKJJXQM-FXAWDEMLSA-N 434.496 4.063 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 758803363 TULIMINOQDMLDG-IEBWSBKVSA-N 448.564 4.252 5 20 IIBD CCC(CC)(C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(OC)c(OC)c1 759826810 IRWLXEMPOGMHEX-UHFFFAOYSA-N 445.468 4.280 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC1CCC(O)(c2ccccc2)CC1 760620619 ZAIDQAWAWWWELZ-UHFFFAOYSA-N 445.324 4.010 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1nc2ccccc2s1 762463176 OBKLXSWWSUTBOQ-UHFFFAOYSA-N 431.495 4.136 5 20 IIBD COC(=O)Nc1cc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc(C(F)(F)F)c1 763449873 ZXXUZYKJVMWJSX-UHFFFAOYSA-N 425.363 4.457 5 20 IIBD CCN(CC1CCN(c2ccccn2)CC1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 764278405 DYSDXGVCBGLXOE-INIZCTEOSA-N 445.951 4.209 5 20 IIBD O=C(NC[C@@H](O)c1ccsc1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 764327525 ZJNYXDDYYXJBMT-LJQANCHMSA-N 431.901 4.385 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)O[C@H](C)c1ccccc1[N+](=O)[O-] 764600706 ZOFLESDSGPIWJA-ACJLOTCBSA-N 432.860 4.166 5 20 IIBD CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 765653452 XYBDIPWRNMRFHQ-KRWDZBQOSA-N 440.374 4.090 5 20 IIBD CN(Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H](CO)c1cccc(Br)c1 769528026 LFEVVTGGQDVRFV-MRXNPFEDSA-N 444.123 4.285 5 20 IIBD COc1cccc(C(=O)O[C@@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)c1[N+](=O)[O-] 769601414 CDXARZDYAUYSMO-HNNXBMFYSA-N 426.425 4.091 5 20 IIBD CC(C)(C)C(=O)c1ccc(S(=O)(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1 769636534 XLKPGJZCUWZDTC-UHFFFAOYSA-N 441.303 4.387 5 20 IIBD COc1ccc(S(=O)(=O)Oc2cc(NC(=O)OC(C)(C)C)ccc2C)cc1[N+](=O)[O-] 769672621 WMJYBABHPFRNIH-UHFFFAOYSA-N 438.458 4.027 5 20 IIBD CCc1nc(CN2CCC(CNC(=O)Nc3ccc([N+](=O)[O-])c(Cl)c3)CC2)cs1 770008679 MLGFEIPOTNQIOL-UHFFFAOYSA-N 437.953 4.301 5 20 IIBD CNC(=O)COc1ccc(NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 770562843 GCQOAQWCEYMKGC-UHFFFAOYSA-N 425.416 4.263 5 20 IIBD COc1cc(SC)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1I 773252242 MYWFQCJBWIBHHW-UHFFFAOYSA-N 444.250 4.182 5 20 IIBD COc1ccc([C@@H](C)OC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c(Br)c1 776355105 WVCDOGZDSQDNMM-LLVKDONJSA-N 434.246 4.020 5 20 IIBD C[C@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@H](OC1CCOCC1)c1ccccc1 778047948 ACJRQRXXBBDKKO-YWZLYKJASA-N 434.439 4.128 5 20 IIBD CN(Cc1ccco1)Cc1ccccc1CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 778288664 GBKHLLPOEQNENI-UHFFFAOYSA-N 429.423 4.228 5 20 IIBD C[C@H](OC(=O)c1cccc([N+](=O)[O-])c1Br)C(=O)N1c2ccccc2CC[C@@H]1C 781673901 XWHGVOGGSVVOPZ-STQMWFEESA-N 447.285 4.271 5 20 IIBD CC(C)[C@@H](CNC(=O)COC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccccc1 781674241 FCDJNKAXAVSTFK-MRXNPFEDSA-N 449.301 4.070 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1[N+](=O)[O-] 782876354 BKPJIWWXZZITFD-KRWDZBQOSA-N 439.346 4.044 5 20 IIBD COc1ccc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c(OCc2ccccc2)c1 784169433 LSKLQQADZLXIDT-UHFFFAOYSA-N 432.436 4.171 5 20 IIBD O=C(COC(=O)Cc1nc(-c2ccc(F)cc2)cs1)Nc1ccc([N+](=O)[O-])cc1Cl 787006926 AFKNBHTVGFRTGX-UHFFFAOYSA-N 449.847 4.235 5 20 IIBD O=C(O[C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1)c1csc(-c2ccccn2)n1 787026458 OSHFYMYPWCZWMI-AWEZNQCLSA-N 428.445 4.078 5 20 IIBD CC(C)CCn1c(=O)c2ccccc2n2c(SCc3ccc([N+](=O)[O-])c(F)c3)nnc12 787488049 FNRRWUPFZYZBRX-UHFFFAOYSA-N 441.488 4.430 5 20 IIBD Cc1nc2c(C(=O)N3CCCC[C@@H]3CCOC(=O)c3cccc([N+](=O)[O-])c3)cccc2o1 792066036 HNEKTJFJOIEEIC-QGZVFWFLSA-N 437.452 4.286 5 20 IIBD CCC(=O)Nc1ccc(C(=O)COC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1 792474954 MSCZGMXCVONYEC-UHFFFAOYSA-N 449.257 4.054 5 20 IIBD CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]2CCCC[C@@H]21 792870079 HLMBYFTWGQXVQT-OFDAHSHWSA-N 432.521 4.187 5 20 IIBD CNc1c(C(=O)OC[C@H]2CCC(=O)N(C)[C@H]2c2cccc(Cl)c2)cccc1[N+](=O)[O-] 793159695 XTRYWQYOFLNBBS-VLIAUNLRSA-N 431.876 4.056 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2Cc3ccccc3O[C@@H](C)C2)c1=S 793778266 CLWXETHCPKPQLD-HNNXBMFYSA-N 425.514 4.250 5 20 IIBD CCCc1[nH]nc(C(=O)O[C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)c1[N+](=O)[O-] 796260415 UDKCUQLAQRAFIV-SECBINFHSA-N 439.350 4.257 5 20 IIBD CN(C(=O)COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(c1ccccc1)c1ccccc1 798129398 NWUWSKYFUXWYLJ-SAPNQHFASA-N 430.460 4.399 5 20 IIBD COc1ccc(C2=NO[C@H](CNC(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)C2)cc1F 801360353 CLLIPHKOTLACKU-HNNXBMFYSA-N 447.488 4.166 5 20 IIBD COc1ccc(C[C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)c2ccc(OC)cc2)cc1 801798830 LLPFCYIIZUXGRM-OAQYLSRUSA-N 439.443 4.047 5 20 IIBD C[C@@H](OC(=O)c1cccc(C(=O)Nc2ccccc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 803910357 ZYFVPUIIMNVNRM-OAHLLOKOSA-N 433.420 4.031 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3Cc4cc(Br)ccc4O3)n2)c1 809476942 ZZLUSZUQWQJLSA-INIZCTEOSA-N 432.230 4.016 5 20 IIBD CCN(CC)C(=O)c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cc1 809821663 POZUMMQLAGBTAQ-UHFFFAOYSA-N 447.296 4.151 5 20 IIBD CS(=O)(=O)CC[C@@H](C(=O)OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccccc1 811085533 QUBIWFINRLXIEF-OAHLLOKOSA-N 446.308 4.163 5 20 IIBD O=C(OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1cc(N2CCNC2=O)ccc1Cl 811085976 JFYZVWBIPKVUGL-UHFFFAOYSA-N 444.658 4.442 5 20 IIBD CS(=O)(=O)c1ccccc1-n1cc(NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cn1 811487853 YSFUCHZPFVKALN-UHFFFAOYSA-N 441.296 4.103 5 20 IIBD CCCCNS(=O)(=O)c1cccc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 812836022 JGNNCBJRPLPZAH-UHFFFAOYSA-N 446.312 4.232 5 20 IIBD C[C@H](NCc1ccc([N+](=O)[O-])c(F)c1)c1ccc(Br)cc1OCCCO 812884940 FPGIWSVCJNZALE-LBPRGKRZSA-N 427.270 4.108 5 20 IIBD C[C@@H](c1ccc(F)cc1)N1CC[C@H](OC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1=O 815223652 WXLCKTDCVDZMGT-GTNSWQLSSA-N 440.349 4.272 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C(=O)NCc1ccc(Cl)cc1 815510664 GZJKJHYYGISQDL-SNVBAGLBSA-N 430.766 4.129 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1C(C)C 844187942 QZKDFPGZLNMXDA-UHFFFAOYSA-N 427.379 4.408 5 20 IIBD COc1ccc2cc(CN(C)C(=O)[C@@H](C)OC(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc2c1 854576024 WKICFHGJBMPENV-MRXNPFEDSA-N 436.464 4.269 5 20 IIBD C[C@@H](OC(=O)c1ccccc1C(=O)c1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 900676756 HUVUZVXDBGYBFO-CQSZACIVSA-N 436.395 4.149 5 20 IIBD O=C(NCc1nc(-c2cccnc2Oc2ccccc2)no1)Nc1cccc([N+](=O)[O-])c1 904453633 HGAUNHFUYPIIIL-UHFFFAOYSA-N 432.396 4.154 5 20 IIBD O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 916477258 WALZAUUKBJSSEL-UHFFFAOYSA-N 431.298 4.172 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)NS(=O)(=O)c1ccc(C2CCCCC2)cc1 916812704 CMWKUDVPMKOYIZ-UHFFFAOYSA-N 434.539 4.240 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3nc(-c4cccs4)n[nH]3)cc2[N+](=O)[O-])C1 917127816 OBYCKRXEFOCECL-STQMWFEESA-N 426.502 4.176 5 20 IIBD CC(C)[C@@H](OC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C(=O)N1CCCC[C@@H]1C 919195854 OBUVFBWRKOIJPD-SUMWQHHRSA-N 446.422 4.118 5 20 IIBD C[C@@H](OC(=O)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F)c1cccc([N+](=O)[O-])c1 920157990 MTQYNPZLLXNYRK-CXAGYDPISA-N 434.395 4.105 5 20 IIBD CC(C)OCc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c1 920482276 LDQTWRDHRNFVII-UHFFFAOYSA-N 429.292 4.083 5 20 IIBD C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Br)CC[C@H]1NC(=O)OC(C)(C)C 1116673857 NXVFRORYBAESRV-MLGOLLRUSA-N 428.327 4.092 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CC(Cc2c(F)cccc2Cl)C1 1319268242 MOOJTZVVJVMFIN-UHFFFAOYSA-N 434.823 4.063 5 20 IIBD Nc1c(C(=O)Nc2cccc(Oc3ccncc3)c2)cc(Br)cc1[N+](=O)[O-] 1321446634 QPNPVFYJLFWMLF-UHFFFAOYSA-N 429.230 4.379 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1nc(C2CC2)n(-c2ccccc2)n1 1323070322 CFDXGPMIMMJJTF-UHFFFAOYSA-N 431.408 4.065 5 20 IIBD COc1cc(CNC(=O)c2c3ccccc3cc3ccccc23)ccc1OCC(=O)N(C)C 1323426942 HITVJIISVLCHET-UHFFFAOYSA-N 442.515 4.399 5 20 IIBD CC(C)(C)OC(=O)N[C@H](CCC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 1330116019 YONMKUFYPKOSIX-HXUWFJFHSA-N 425.485 4.483 5 20 IIBD Cc1c(C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cnn1C1CCCC1 1341340835 DLKXVUMGOCQUSK-LJQANCHMSA-N 428.489 4.028 5 20 IIBD Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cnoc4C)cc3)CCC2)cc1[N+](=O)[O-] 1787451203 YMCMSSSOKWKPEN-UHFFFAOYSA-N 448.479 4.190 5 20 IIBD O=C(/C=C/c1cccs1)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1 1788163522 DIMRAVCBBCZVSH-DHZHZOJOSA-N 436.493 4.446 5 20 IIBD C[C@H](C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1)c1ccc(O)cc1 1790187270 PPTRPKFXBTVPGV-HNNXBMFYSA-N 448.479 4.180 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1)c1cc2cc([N+](=O)[O-])ccc2s1 1799517712 QPEAZDSWDOVRQT-BCDXTJNWSA-N 435.505 4.375 5 20 IIBD C[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1[N+](=O)[O-])c1cccs1 1804344943 OBJXDYOAAGVDGG-FVUZNRHOSA-N 439.537 4.111 5 20 IIBD CCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)[nH]n1 1821934752 FIPUNFHADRMOME-DZZUKKPASA-N 429.477 4.053 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(C)CCC2)CC1 1823709813 PSHDAAQAPGPAFY-FQEVSTJZSA-N 445.535 4.466 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2C2CC2)CC1 1824073530 YECKFMJTAMELLO-SJBKTWHCSA-N 443.519 4.013 5 20 IIBD CC(C)CC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 1824162350 VLTPLZPMZXTGEN-FQEVSTJZSA-N 449.979 4.457 5 20 IIBD CC1(C)CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)CC2)C1 1831928329 BUAFARMXWAHXGX-CPSHHHPTSA-N 443.544 4.257 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 15271198 IXYNKTOZKCDMCJ-HOTGVXAUSA-N 441.484 4.024 5 20 IIBD Cc1csc(Sc2ccc(C(=O)OCC(=O)Nc3ccc(O)cc3)cc2[N+](=O)[O-])n1 18333679 TYWBCVHISIIDGV-UHFFFAOYSA-N 445.478 4.012 5 20 IIBD C[C@H](OC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(=O)N[C@@H]1CCOc2ccccc21 26342631 IPSCQCZFCYMNCH-KBXCAEBGSA-N 426.469 4.078 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 60483035 VDSPLIMYZHEREG-CQSZACIVSA-N 445.903 4.179 5 20 IIBD O=C(Nc1nc2cc3c(cc2s1)OCCCO3)c1ccc(NC2CC2)c([N+](=O)[O-])c1 60612332 FCOYBBKKUZEVAC-UHFFFAOYSA-N 426.454 4.192 5 20 IIBD CCSc1cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)ccn1 64692500 AUSKWRQFNUTMPW-UHFFFAOYSA-N 440.447 4.083 5 20 IIBD O=C(Nc1ccccc1)[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1 109103427 ZUDOOUWEZVFRMA-OAQYLSRUSA-N 429.436 4.114 5 20 IIBD Cc1ccc(OCc2ccc(C(=O)N3CCN(Cc4cccc([N+](=O)[O-])c4)CC3)o2)c(C)c1 109332194 XMPLEVHPLNYJJD-UHFFFAOYSA-N 449.507 4.342 5 20 IIBD Cc1cc(C(=O)Nc2ccccc2NS(=O)(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1 195694053 RWSLDAUPEAMXFR-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD C[C@H](Cc1nnc(SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)o1)c1ccccc1 261431056 KCNAOXNSBSPRRP-CQSZACIVSA-N 440.481 4.414 5 20 IIBD C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1ccc2c(c1)CCCC2 303440648 BXFYVPFFQUXVHP-KBXCAEBGSA-N 427.526 4.017 5 20 IIBD Cc1c(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)oc2ccc(Br)cc12 303659053 ARNKDPYTNVPWLE-ZDUSSCGKSA-N 445.273 4.134 5 20 IIBD O=[N+]([O-])c1cnn(CCSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)c1 303877817 ISBGNBGHILIADA-UHFFFAOYSA-N 426.889 4.485 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)cccc1[N+](=O)[O-] 410415121 SPPXONZHGKZOSJ-QHCPKHFHSA-N 445.475 4.073 5 20 IIBD O=C(NCc1ccc(OCc2ccccn2)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 426044715 MHUHCMQDZCOCGP-UHFFFAOYSA-N 432.480 4.443 5 20 IIBD O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 426826333 DTBLDJOMWFILKA-JLMKVHRTSA-N 435.274 4.206 5 20 IIBD COCCN(Cc1cc(Br)cs1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 427748692 PGOFRPAYCOQLDX-UHFFFAOYSA-N 433.711 4.361 5 20 IIBD CCCc1c(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cnn1-c1ccc(C)cc1 432548943 ZKAQXVNTSOTYTQ-UHFFFAOYSA-N 430.468 4.479 5 20 IIBD C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 436314396 FAFKLTDNQNBNCJ-INIZCTEOSA-N 447.485 4.479 5 20 IIBD O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 436348844 NRXQBRJVVCQAJF-IBGZPJMESA-N 443.522 4.115 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](C)c1nc(-c2cccc(F)c2)no1 437134396 DQXXHGUQQSCGJX-MNOVXSKESA-N 434.811 4.082 5 20 IIBD CC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 438810568 XKGVYNRBWGKGIN-UHFFFAOYSA-N 438.676 4.314 5 20 IIBD Cc1c(NC(=O)C(=O)N(C)[C@@H](c2ccncc2)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 441848771 YPDALPVGCQFMES-HXUWFJFHSA-N 438.871 4.138 5 20 IIBD O=C1[C@@H](Nc2cccc(C[S@@](=O)c3ccccc3)c2)CCN1c1cccc([N+](=O)[O-])c1 442118605 FWUYKUVRFORMAI-WKRVVKTRSA-N 435.505 4.120 5 20 IIBD Cc1ccc(-c2nc(-c3c([N+](=O)[O-])nc(C)n3C)no2)cc1NC(=O)c1ccccc1F 445611865 CXYLZGWPFMBLRV-UHFFFAOYSA-N 436.403 4.054 5 20 IIBD CC(C)N(C)c1ccccc1CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl 445613186 NLIJOHBFGAYERE-UHFFFAOYSA-N 427.892 4.251 5 20 IIBD Cc1ccc([C@@H](C)N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c(C)c1 447021904 VYRVMKUTGCIPAW-CYBMUJFWSA-N 427.320 4.356 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC(c2ncc3n2CCCC3)CC1 447669146 FBLORZODEUBEJG-UHFFFAOYSA-N 426.520 4.234 5 20 IIBD CC(C)(C)OC(=O)C1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC1 447677936 INXMORDTYVJKGO-UHFFFAOYSA-N 425.354 4.202 5 20 IIBD CCCC[C@H](C)N(C)C(=O)c1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 461433893 ZNLRKOAGAFTFIX-HNNXBMFYSA-N 449.529 4.055 5 20 IIBD Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)nn1-c1cccc(Cl)c1 463798608 KNHYHYINKOFKFA-UHFFFAOYSA-N 443.872 4.091 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C1(CC)CCN(C(=O)c2ccccc2)CC1 466504744 NRRLZYLTJOYKIC-UHFFFAOYSA-N 425.485 4.265 5 20 IIBD COc1ccc(CSCC(=O)NCc2ccc(C(F)(F)F)cc2C)cc1[N+](=O)[O-] 467015290 RDMITPFUPZMVGJ-UHFFFAOYSA-N 428.432 4.480 5 20 IIBD O=C(Nc1cccc(-n2cnnc2O)c1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 474910045 KKWNQBPJKXMVCH-UHFFFAOYSA-N 439.497 4.416 5 20 IIBD CN(Cc1cc(Br)cn1C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 475183467 JWBLRLCPVFVQJQ-UHFFFAOYSA-N 435.200 4.379 5 20 IIBD O=C(c1cc(NCCCOc2ccc(C(F)(F)F)cn2)ccc1[N+](=O)[O-])N1CCCC1 477690024 DXVPUEJJHQPQTM-UHFFFAOYSA-N 438.406 4.126 5 20 IIBD COC(=O)C[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(Cl)cc1 477788856 KARODDIKNYEMMC-ZDUSSCGKSA-N 443.790 4.276 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccc([S@](C)=O)c(F)c2)cc1[N+](=O)[O-])c1ccccn1 477789728 LRKFLBIKPVYKCB-QJCAQRTLSA-N 442.472 4.292 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 477986150 GVPCBXPZVOGTMD-RKDXNWHRSA-N 433.230 4.306 5 20 IIBD O=C(N[C@H]1CCN2CCC[C@@H]2C1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 480508968 ACDAGZHELOJAQU-DLBZAZTESA-N 428.920 4.217 5 20 IIBD COc1cc(C(=O)N2CCc3cc(C)ccc3C2)c([N+](=O)[O-])cc1OCc1cscn1 480981308 HUJMCBSTJHYCBG-UHFFFAOYSA-N 439.493 4.146 5 20 IIBD COCCOc1c(Cl)cccc1NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] 483379206 NTRVIOGCPNHICG-UHFFFAOYSA-N 426.878 4.256 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCc1c[nH]c2cc(Cl)cc(Cl)c12 484473614 MQACTVRYUGJXMP-UHFFFAOYSA-N 449.294 4.297 5 20 IIBD CS(=O)(=O)c1cccc(N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)c1[N+](=O)[O-] 485423721 UQYKEEUOZOGFNP-HAQNSBGRSA-N 443.294 4.258 5 20 IIBD COc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)c2ccccc2)cc1Br 487352396 IRYXTDRHXAKSOM-SFHVURJKSA-N 430.258 4.213 5 20 IIBD CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 487712297 XZYRPXKAMRSADY-DLBZAZTESA-N 427.526 4.123 5 20 IIBD COc1ccc(-c2nc(CC(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)cs2)cc1OC 488088041 HLZVMVNDKNFSPB-CQSZACIVSA-N 441.509 4.464 5 20 IIBD Cc1nc(CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)oc1-c1ccc(Cl)cc1 489490849 OJVGQPQPJMHRMQ-NRFANRHFSA-N 440.843 4.179 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)cc1[N+](=O)[O-] 493050819 KGEVLYYKMAGABI-UHFFFAOYSA-N 432.527 4.190 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)[C@@H]1[C@@H](c2ccccc2)C1(F)F)c1ccccc1[N+](=O)[O-] 493181361 NUOJXGBEAGWSOO-AHRSYUTCSA-N 432.423 4.143 5 20 IIBD CN(Cc1cc(Br)ccc1Cl)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 494856707 LODMUVDGQVGOSS-UHFFFAOYSA-N 427.638 4.012 5 20 IIBD COC(=O)[C@H](CNC(=O)c1cc(SC)ccc1[N+](=O)[O-])Cc1cccc2ccccc12 498641421 XFBVGOGTIXKHMI-KRWDZBQOSA-N 438.505 4.232 5 20 IIBD COc1cc(C(=O)N2CCN(C)CC2(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 500487479 QJYZYTZZLSOIDE-UHFFFAOYSA-N 433.892 4.215 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)nc1 500572577 IMLIJJLOIBGJQU-CYBMUJFWSA-N 438.465 4.000 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@H](C)c3ccc4c(c3)CC(=O)N4)cc2[N+](=O)[O-])C1 501038927 ZMDOMELCJQDALB-OWCLPIDISA-N 436.512 4.063 5 20 IIBD CC[C@H](C)N[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccco1 503533393 SAVWDKXCGDMIHR-LRDDRELGSA-N 428.411 4.135 5 20 IIBD C[C@H](Sc1ccc(S(C)(=O)=O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 504356039 RLYOOSFITDBOMI-JTQLQIEISA-N 448.444 4.136 5 20 IIBD O=C(CN[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)N1CCc2cc([N+](=O)[O-])ccc21 505874904 PHAFLAZHINQBII-QGZVFWFLSA-N 447.335 4.396 5 20 IIBD Cc1ccc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2I)cc1 509443367 ZPWPJXWWLJLWKL-KRWDZBQOSA-N 436.249 4.485 5 20 IIBD COc1cccc(OC(F)(F)F)c1CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 510786973 HUXGELQVNVIEHW-UHFFFAOYSA-N 439.390 4.376 5 20 IIBD C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1=O 513481271 AMNIGRVJDHZYQF-JLTOFOAXSA-N 445.466 4.019 5 20 IIBD C[C@H](N[C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccc(OCC(=O)NC2CC2)cc1 513785676 RAQRJWZZBAWDOM-GEQKSPFYSA-N 437.540 4.314 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 517441111 LZTPOQRUEMASOF-SFHVURJKSA-N 437.258 4.337 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N[C@H](C(=O)O)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 520325186 YZGYAUGVYJKFOZ-QFYYESIMSA-N 426.256 4.396 5 20 IIBD O=C(Nc1ccc(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1Cl)c1ccco1 521012691 XFPYPYXBYXEXJQ-UHFFFAOYSA-N 439.808 4.033 5 20 IIBD C[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(N2CCCC2=O)c1 522639890 IFRZMXVRWGKUKE-AWEZNQCLSA-N 431.876 4.021 5 20 IIBD Cc1cccnc1[C@@H](NC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)C 523716084 GKFCNVUHPUMZNG-KRWDZBQOSA-N 439.438 4.425 5 20 IIBD COc1ccc(CCN(CC(C)(C)C)C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)cc1 523761462 KQEYHHZXTJAZIK-UHFFFAOYSA-N 429.517 4.412 5 20 IIBD CC[C@@H](C)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)Nc1cccc(N2CCCC2)c1 524334447 XJXAELVNLYIJCN-ZHRRBRCNSA-N 438.528 4.287 5 20 IIBD CCN(Cc1ccccc1)c1ccc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 524574340 MBQNQGYMFNGNSZ-NRFANRHFSA-N 445.523 4.343 5 20 IIBD O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1 530445565 YOCMSLZSNNRSQR-RXVVDRJESA-N 440.475 4.091 5 20 IIBD COc1ccc(CSCC(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] 537143509 FWQAMEZRENKZQD-OXJNMPFZSA-N 436.917 4.136 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC=C(c2ccc3c(c2)OCCO3)CC1 538942932 JAVBJUMAIXWCMA-AWEZNQCLSA-N 443.887 4.136 5 20 IIBD COc1cc(C(=O)N2CCN(C)[C@@H](C)[C@@H]2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 540014075 XUIWEJOSOYVZDA-KBPBESRZSA-N 433.892 4.214 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 543458535 BPCWCFGPYCYEBB-ZYHUDNBSSA-N 438.410 4.432 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CCO)c1ccccc1Br 543834635 DNKJPJBQMPPLRA-SJKOYZFVSA-N 439.331 4.078 5 20 IIBD C[C@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccc(NC(=O)c2ccncc2)cc1 544442782 GKIFVHCQJRHIKZ-GJZGRUSLSA-N 436.443 4.362 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC(c1ccccc1C)c1ccccc1C 545489296 MWVDTLIFPOLXMW-UHFFFAOYSA-N 433.464 4.065 5 20 IIBD O=[N+]([O-])c1ccc2nc(O)cc(-c3nc(Cc4nc5ccccc5n4C(F)F)no3)c2c1 546323300 RZCLAOJXGDRRLN-UHFFFAOYSA-N 438.350 4.234 5 20 IIBD CCc1ccc(NC(=O)[C@H](CCSC)NC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 552358399 WRXGMOODYIYSNG-SFHVURJKSA-N 435.933 4.301 5 20 IIBD COc1ccc(CC(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)cc1[N+](=O)[O-] 552827132 MJSNHZIECFJKGY-ORAYPTAESA-N 438.402 4.153 5 20 IIBD O=C(c1cc(I)cc([N+](=O)[O-])c1)N1Cc2cccc(Cl)c2C1 554026632 JYBLCRBTMGWGOQ-UHFFFAOYSA-N 428.613 4.009 5 20 IIBD COc1cc(CNCCc2nc3ccccc3s2)c([N+](=O)[O-])cc1OCC(F)(F)F 554877033 DICKVMPINGMHLZ-UHFFFAOYSA-N 441.431 4.487 5 20 IIBD CCOC(=O)c1cc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c(F)cc1C 556480514 GWDDGLIGHFZSHU-UHFFFAOYSA-N 425.210 4.234 5 20 IIBD CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 560805704 MGZVDNYYGZCDJU-ZFGGDYGUSA-N 437.540 4.279 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 561189349 GRENGISUDDVLQD-HZSPNIEDSA-N 437.315 4.064 5 20 IIBD COc1cc(F)c(F)cc1NC(=O)c1cc([N+](=O)[O-])cc(I)c1C 568615108 ZMFUBPSKOMLDTQ-UHFFFAOYSA-N 448.163 4.047 5 20 IIBD COc1cc(Cc2noc(C[C@@H](C)Cc3ccccc3OC)n2)c([N+](=O)[O-])c(OC)c1 569432266 HMBHXWYDGBGMTK-AWEZNQCLSA-N 427.457 4.016 5 20 IIBD CCN(Cc1ccc(OC)cc1OC)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 603737482 KEDLJGVDXIVNCU-UHFFFAOYSA-N 442.390 4.215 5 20 IIBD COC(=O)c1cc2cc(NC(=O)CSCc3ccc(OC)c([N+](=O)[O-])c3)ccc2o1 603771690 TUDDEHQOMWFWIK-UHFFFAOYSA-N 430.438 4.008 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccc(Br)c2)cc1[N+](=O)[O-] 604043293 BJQCRGMNZLVFCV-MRXNPFEDSA-N 425.304 4.192 5 20 IIBD CC(C)c1ccc(CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C2CC2)cc1 604162020 CQSIJGZMXVNUIL-UHFFFAOYSA-N 447.438 4.449 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N(CCc1ccccc1)Cc1cccnc1 608879897 FIZDCDMCMUQGIT-UHFFFAOYSA-N 427.464 4.061 5 20 IIBD CCOCCOc1ccc(Cl)cc1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 609106346 DAYAXIRMTSPEES-UHFFFAOYSA-N 435.285 4.118 5 20 IIBD CCOc1ccc(S(=O)(=O)N(C)c2ccc(Oc3nccc(C)c3[N+](=O)[O-])cc2)cc1 609668963 HZNVALCTDVWZGQ-UHFFFAOYSA-N 443.481 4.314 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSCc1csc(-c2ccccn2)n1 609769546 JKZMKEVATMETRM-UHFFFAOYSA-N 428.495 4.345 5 20 IIBD C[C@@H]1CN(CCCNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C[C@@H](C)O1 609780993 IROYMTOSLSBOSK-IAGOWNOFSA-N 428.489 4.008 5 20 IIBD O=C(CS(=O)(=O)Cc1ccc(Cl)s1)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 609859102 IIVZLCVJSKOLGT-UHFFFAOYSA-N 442.946 4.200 5 20 IIBD O=C(CCSc1ccc2c(c1)OCCCO2)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 610153525 WBMVRBRHEGNHBM-UHFFFAOYSA-N 440.481 4.063 5 20 IIBD O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 610155800 PIVSSPQJGNHUPY-UHFFFAOYSA-N 441.915 4.292 5 20 IIBD COc1ccc(-c2csc(NC(=O)c3cc(OC)c(OC)c([N+](=O)[O-])c3)n2)cc1OC 610167953 GBXDTEULOJUHBK-UHFFFAOYSA-N 445.453 4.005 5 20 IIBD Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Br 725986168 TYVMWHIVIUATKP-OLZOCXBDSA-N 435.274 4.088 5 20 IIBD Cc1ccc(NC(=O)c2cccc(OS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)cc1 727459892 DOYBAHQIODYBLT-UHFFFAOYSA-N 426.450 4.232 5 20 IIBD COc1ccc(CC(=O)OCc2cc(Cl)c(OC(F)F)c(OC)c2)cc1[N+](=O)[O-] 727661917 FOHDWDTUCAUPGM-UHFFFAOYSA-N 431.775 4.153 5 20 IIBD Cc1ccc(CCC(=O)OC[C@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])cc1Cl 730702490 AKBVCCLZRLFICX-QGZVFWFLSA-N 430.888 4.337 5 20 IIBD COc1cc2ccccc2cc1C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730704472 NZQBQDYYMNWSBQ-GOSISDBHSA-N 434.448 4.218 5 20 IIBD COc1ccc(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)cc1NC(=O)OC(C)(C)C 731752828 QRWYNUTVPAGFDA-UHFFFAOYSA-N 446.460 4.151 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)O[C@@H](Cc1ccc(Cl)cc1)C(F)(F)F 733948714 XXPIPLQWDAICIK-INIZCTEOSA-N 444.793 4.085 5 20 IIBD COc1ccc(C)cc1-n1ccc(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)n1 735442740 HCDINLWENAZKPU-UHFFFAOYSA-N 434.408 4.110 5 20 IIBD CCCCCCOc1ccc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 740790526 LZKUSDYSPRHSCQ-UHFFFAOYSA-N 439.512 4.152 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(Cn3[nH]c(-c4cc(F)cc(F)c4)nc3=S)CC2)cc1 743390979 QWDVVKMPYNQSDZ-UHFFFAOYSA-N 447.467 4.295 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)O[C@@H](C(=O)NCc1ccccc1)c1ccccc1 744615440 QUSZNIWVJXIGME-XMMPIXPASA-N 443.459 4.150 5 20 IIBD C[C@H](OC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(=O)Nc1ccc(C(F)(F)F)cc1 744616575 SIEDTEMRZCRLAG-LBPRGKRZSA-N 435.358 4.139 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)CCOc1cccc([N+](=O)[O-])c1)c1cccc2ccccc12 744731166 LRNVUQRBJCWEML-DLBZAZTESA-N 436.464 4.326 5 20 IIBD COc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 747123201 FDCVCVZYJSRRHI-VIFPVBQESA-N 446.765 4.460 5 20 IIBD COC(=O)c1cc(Br)ccc1OC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 747385219 FATFZXKQEDRACW-SNVBAGLBSA-N 440.271 4.230 5 20 IIBD CCOc1cccc2cc([C@H](C)Nc3ccc([N+](=O)[O-])cc3S(=O)(=O)N(C)OC)oc12 748272222 LRJIDNDNAFUGQP-ZDUSSCGKSA-N 449.485 4.095 5 20 IIBD C[C@H](OC(=O)c1cc(Cl)ccc1OC(F)F)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 748918684 SYFWGBSYVZXDRK-QMMMGPOBSA-N 432.738 4.173 5 20 IIBD Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c(C)c1 748946342 GLTBHRMZMXXMJS-HNNXBMFYSA-N 429.429 4.229 5 20 IIBD O=C(NC1(c2noc([C@@H]3CCOC3)n2)CCCCCC1)c1cc([N+](=O)[O-])ccc1Cl 749166025 LOXYHEJAVCLVAH-CYBMUJFWSA-N 434.880 4.115 5 20 IIBD O=C(COc1ccc(F)c(Cl)c1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 750664182 PXOCJTUMUXZOFG-UHFFFAOYSA-N 443.656 4.114 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCCC[C@H]1C[C@@H](O)c1cccs1 750839330 UEOOMGDTKOHGJZ-QFBILLFUSA-N 447.557 4.362 5 20 IIBD C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1ccc2nc(O)[nH]c2c1 750841531 GQULPPYDYUZIRO-ZETCQYMHSA-N 439.653 4.084 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCCCC[C@H]1C[C@H](O)c1ccco1 752104240 JXANMNKUDIZDFX-RDJZCZTQSA-N 437.290 4.459 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C2(NC(=O)OC(C)(C)C)Cc3ccccc3C2)cc1[N+](=O)[O-] 752417452 YWIDYWMGOCZDLF-MRXNPFEDSA-N 439.512 4.143 5 20 IIBD Cc1c(Br)cc(C(=O)OCc2nccn2Cc2ccccc2)cc1[N+](=O)[O-] 753430719 GJJRZDYMERJNRS-UHFFFAOYSA-N 430.258 4.268 5 20 IIBD O=C(N[C@H]1CCCOc2ccc(F)cc21)c1cc(F)cc([N+](=O)[O-])c1Br 754994621 UPOPBJYABYCZOP-ZDUSSCGKSA-N 427.201 4.279 5 20 IIBD COc1cc(-c2nc(COC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)cs2)ccc1O 755059744 DLIMLHGFPPVWGK-NSHDSACASA-N 432.429 4.419 5 20 IIBD Cc1noc(C)c1CCOC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 756164880 ROJTWEGMALYTMG-UHFFFAOYSA-N 446.463 4.381 5 20 IIBD O=C(Nc1cnc(Br)c(Br)c1)c1c(Cl)cccc1[N+](=O)[O-] 757822738 BLICEEHISYJJLY-UHFFFAOYSA-N 435.459 4.421 5 20 IIBD C[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1nc(-c2ccc(Cl)cc2)no1 759216179 KSEPKGKCGALIQW-NSHDSACASA-N 425.832 4.199 5 20 IIBD CN(Cc1cccc(C(F)(F)F)c1)C1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 759230641 XKZASVZYGIIUFS-OAQYLSRUSA-N 437.462 4.243 5 20 IIBD Cc1cc(F)cc(C(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c1[N+](=O)[O-] 760733913 IPIWERBQOWKDDI-UHFFFAOYSA-N 425.391 4.364 5 20 IIBD CC(C)NC(=O)Nc1cccc(-c2noc([C@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)n2)c1 761739082 JUGUEMDGYROQQH-GOSISDBHSA-N 436.428 4.040 5 20 IIBD C[C@@H](OC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C 762762812 RVXCGAOYCBNRNL-GFCCVEGCSA-N 433.844 4.366 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC[C@H]1CCCCN1C(=O)c1cccn1C 765604576 QVSULPNSNATJQL-WOJBJXKFSA-N 441.528 4.130 5 20 IIBD C[C@H](NC(=O)c1ccccc1NC(=O)COc1c(F)cccc1[N+](=O)[O-])c1ccccc1 766416541 ZYKIFVDMBKLPFM-HNNXBMFYSA-N 437.427 4.242 5 20 IIBD CCOC(=O)c1cc(C(=O)OCc2nc3cc(C(F)(F)F)ccc3o2)cc([N+](=O)[O-])c1 767269154 IYHDJPMKCIEWMW-UHFFFAOYSA-N 438.314 4.289 5 20 IIBD Cc1nn(-c2ccc(C(=O)O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)c(C)c1Cl 769403991 LTNVYQCCUZRASD-AWEZNQCLSA-N 442.859 4.235 5 20 IIBD COc1ccccc1[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccco1 769755809 HQTNHWAGWCIDOA-SFHVURJKSA-N 431.242 4.478 5 20 IIBD C[C@H](Cc1noc(-c2ccc(Br)cc2[N+](=O)[O-])n1)N(C)C(=O)OC(C)(C)C 771128296 WEKXYAIXNGFICK-SNVBAGLBSA-N 441.282 4.205 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3ccc(NC(=O)OC(C)(C)C)cc3O)n2)c1 771388555 CZHAFRASHRMEJV-UHFFFAOYSA-N 442.428 4.297 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN(Cn2cnc(-c4cccc([N+](=O)[O-])c4)n2)C3)cs1 771623556 UCQZEORTRNWNPQ-UHFFFAOYSA-N 438.538 4.363 5 20 IIBD C[C@@](O)(C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 773438352 FBROGPMQXHNFBL-INIZCTEOSA-N 448.191 4.327 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 777954749 PFHJZBMLPFPZPU-CYBMUJFWSA-N 435.502 4.220 5 20 IIBD Cc1cc(Cl)ccc1O[C@H](C)C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 778679014 LFZCFHJMOXRBJX-LLVKDONJSA-N 427.240 4.159 5 20 IIBD COc1ccc(CN(C)[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1F 779480138 SRKUMGABOPHWBL-CYBMUJFWSA-N 444.488 4.325 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ncc(Cc2cccc(F)c2)s1 781609243 JMUNWTLJXNZALV-UHFFFAOYSA-N 430.417 4.261 5 20 IIBD O=C(OCc1nnc2n1CCCC2)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 782069625 JOKJOLBULIJYTQ-UHFFFAOYSA-N 428.832 4.325 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC(c2ccccc2Br)CC1 784055127 GJRKXTGNSSDOON-UHFFFAOYSA-N 443.294 4.065 5 20 IIBD O=C(OCc1ccccc1)[C@@H](CNc1cc2ncnc(O)c2cc1[N+](=O)[O-])c1ccccc1 786822726 DTGYOAJXMJGZKR-IBGZPJMESA-N 444.447 4.183 5 20 IIBD C[C@H](Nc1cc(Br)cc(C(=O)N2CCCC2)c1)c1ccc(N)c([N+](=O)[O-])c1 788796085 DLHQJWFFBKTNDX-LBPRGKRZSA-N 433.306 4.349 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)N(Cc2ncc(-c3ccc4c(c3)OCO4)[nH]2)C(C)C)c1F 790519676 QZQHAUCRYVJMHD-UHFFFAOYSA-N 440.431 4.212 5 20 IIBD CN(Cc1nc(COc2ccc(F)cc2)no1)c1cc(Br)ccc1[N+](=O)[O-] 794669337 SWHRLQGBYXJMCE-UHFFFAOYSA-N 437.225 4.095 5 20 IIBD COc1ccc(F)c2[nH]c(C(=O)O[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc12 796199997 HIQNUMSYJVKABO-SECBINFHSA-N 435.795 4.061 5 20 IIBD C[C@@H](CC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 801149861 FUXGBYKTQWQEQS-PKOBYXMFSA-N 433.549 4.269 5 20 IIBD C[C@@H](OC(=O)c1ccccc1Oc1ccncc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 801501183 CEFPZYPZGMBBIF-CYBMUJFWSA-N 425.372 4.105 5 20 IIBD O=C(Nc1ccc2nc(C(F)F)sc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 804722647 LGCQEWFVQROZDK-UHFFFAOYSA-N 434.424 4.231 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CS(=O)(=O)Cc3cc(Cl)nc(Cl)c3)co2)cc1 806643617 KZLVAYZDZBKAKB-UHFFFAOYSA-N 428.253 4.067 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NS(=O)(=O)c1c(F)cccc1OC(F)(F)F 808092580 BAKKEKAWVSFNJE-UHFFFAOYSA-N 428.747 4.395 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N[C@H]1CCCC[C@@H]1c1ccccc1 810356563 MMMBXZXMVNRQSA-WBVHZDCISA-N 446.301 4.138 5 20 IIBD C[C@H]1CN(c2ccc([N+](=O)[O-])c(N3CCC(F)(F)[C@@H](C)C3)c2[N+](=O)[O-])CCC1(F)F 811848885 YLEODDOEVWJVDI-RYUDHWBXSA-N 434.390 4.466 5 20 IIBD CC(=O)c1cc(Br)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1Cl 813245551 VDTZTOQVMKPBRN-UHFFFAOYSA-N 427.638 4.231 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc(Cl)cc1 815511129 WTMGIKMKHJUPGO-SNVBAGLBSA-N 430.766 4.301 5 20 IIBD C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O 815652606 JNQJETODJPDFRH-UZUQRXQVSA-N 440.519 4.045 5 20 IIBD CCOc1ccc(-c2nnc(S)n2CCC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1 819990161 PCHFSYORKDOEPV-UHFFFAOYSA-N 441.513 4.186 5 20 IIBD C[C@H](OC(=O)COc1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 830306242 AYDKDYVLXOOCLI-INIZCTEOSA-N 436.420 4.336 5 20 IIBD C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 914796614 ACGQWBKGPUEOJE-CQSZACIVSA-N 425.441 4.453 5 20 IIBD O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 917954816 SARYDPVTDUQPHY-UHFFFAOYSA-N 428.448 4.301 5 20 IIBD O=C(NCCc1ccc(F)c(Br)c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 918663104 JZJKJVQYLLOUNP-UHFFFAOYSA-N 436.281 4.069 5 20 IIBD C[C@@H](OC(=O)CCNC(=O)Nc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 919365519 BZKMMGTZHNOPSV-GFCCVEGCSA-N 436.262 4.173 5 20 IIBD C[C@@H](OC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)c1cccc([N+](=O)[O-])c1 920158486 ODHMRRWVDXZIGH-OCCSQVGLSA-N 433.258 4.015 5 20 IIBD O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc([N+](=O)[O-])c2cccnc12 1116425286 XRLJMQKHVFWPCJ-FQEVSTJZSA-N 427.464 4.195 5 20 IIBD O=[N+]([O-])c1ccc(F)cc1-c1nnc(-c2ccccc2NS(=O)(=O)c2cccs2)o1 1341364952 AVVXELWYCLEHDH-UHFFFAOYSA-N 446.441 4.313 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1)c1ccc(Cl)nc1 1785758307 OKXPIJPIBRPQIN-UHFFFAOYSA-N 439.859 4.033 5 20 IIBD C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(C2(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)CCC2)cc1 1789204997 AVSCBELZWBQYQE-BEFAXECRSA-N 437.496 4.484 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccoc3Cl)cc2)CCC1)c1ccc([N+](=O)[O-])o1 1790203334 PHOGJVFCIFKOCN-UHFFFAOYSA-N 429.816 4.496 5 20 IIBD COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)CC(C)C)CCC3)cc2)c([N+](=O)[O-])c1 1790571345 QWUGOVIAPLFILJ-UHFFFAOYSA-N 439.512 4.326 5 20 IIBD Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccccc2[N+](=O)[O-])c(C)c1 1804343845 INEQRCDMKWDJKU-LGMYYNHISA-N 433.508 4.177 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cc([C@H]2CCCCN2C(=O)C2=CCCC2)[nH]n1 1815537849 WHBJEZDYGMNJBO-HXUWFJFHSA-N 437.500 4.053 5 20 IIBD O=C(CCC1CCC1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 1830704332 GNXHXXBGDUDTAQ-JOCHJYFZSA-N 443.544 4.114 5 20 IIBD C/C=C(\C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 1831337248 YNVLUBQCQBKGKR-VYFWZWAVSA-N 447.963 4.377 5 20 IIBD CC(C)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1831382561 PPEJJNIOQKPHGP-NRFANRHFSA-N 433.524 4.403 5 20 IIBD CC(C)/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1832512011 JGZHSOBJKAWTCA-JLXBBBJOSA-N 431.508 4.179 5 20 IIBD Cc1ccc(Cl)cc1N1CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 15413685 PSGDGKUJRQHMRK-HNNXBMFYSA-N 427.892 4.490 5 20 IIBD COc1cc(CCNC(=O)CCSc2nc3ccccc3s2)c([N+](=O)[O-])cc1OC 16143687 FAQJTQACPXYNMP-UHFFFAOYSA-N 447.538 4.063 5 20 IIBD CCCCc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 21737760 YNRNZJIHQIWDSH-AWEZNQCLSA-N 426.502 4.032 5 20 IIBD CS(=O)(=O)c1ccc(NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 25572351 QOYWRUAWMXVGFW-IUCAKERBSA-N 434.358 4.320 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nnc1-c1ccc(C)cc1 26824727 VIEHMNUIIYQGIZ-CYBMUJFWSA-N 429.477 4.440 5 20 IIBD COc1ccc([C@@H](CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)N2CCCCC2)cc1 27667913 LLZPROMOYISJCD-VGOFRKELSA-N 443.569 4.427 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc2ccccc2c1=O 28606573 DCCPWCXLSSMSBW-LLVKDONJSA-N 432.889 4.097 5 20 IIBD Cc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C 57530750 QYFCWUMVFVYNSW-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD C[C@@H](CCc1ccc(Br)cc1)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 59987975 UFCHSHXGPZRAMB-AWEZNQCLSA-N 443.301 4.294 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)cc1C 60443534 DMVOVXDMRUFNQS-UHFFFAOYSA-N 439.493 4.289 5 20 IIBD CCOC1CCN(c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])CC1 60451123 FOWVIJNTHQQRFA-UHFFFAOYSA-N 433.530 4.018 5 20 IIBD CCOc1cccc2cc([C@@H](C)NC(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)oc12 61970626 RMMSDWGZIZYRMZ-LLVKDONJSA-N 431.832 4.209 5 20 IIBD CC1CCN(Cc2ccc(CNC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)cc2)CC1 64822146 DPFBKSXCINUOLY-UHFFFAOYSA-N 447.539 4.157 5 20 IIBD COc1cc(C(=O)Nc2ccc(Sc3nc(C)cc(C)n3)cc2)c([N+](=O)[O-])cc1OC 105519478 VXCOBBMMXXQKER-UHFFFAOYSA-N 440.481 4.422 5 20 IIBD Cc1c(C(=O)NCc2cccc(Oc3ccccc3)c2)nnn1-c1cccc([N+](=O)[O-])c1 106296671 QEQWNXCUEJOHFD-UHFFFAOYSA-N 429.436 4.206 5 20 IIBD C[C@H]1C[C@H](C)CN(Cc2ccc(CNc3ccc([N+](=O)[O-])cc3S(C)(=O)=O)cc2)C1 302615482 FWIHEJFFAWYQOJ-IRXDYDNUSA-N 431.558 4.088 5 20 IIBD C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Cl)cc1Cl 303464733 MJHSRWOABZGTPS-IINYFYTJSA-N 442.324 4.445 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])ccc1Br)C1CCN(Cc2ccccc2)CC1 312872758 ULUTZDZRNKUUEU-UHFFFAOYSA-N 432.318 4.094 5 20 IIBD Cc1c(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Br)cccc1[N+](=O)[O-] 410351102 DHMICXRTDPAXGZ-UHFFFAOYSA-N 439.209 4.485 5 20 IIBD Cc1cc(OCC(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)ccc1[N+](=O)[O-] 430831748 DCGCMVZMMPRRBD-GFCCVEGCSA-N 429.420 4.164 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)n2)cc1F 431499291 FWEJWFIPRVZWKJ-SNVBAGLBSA-N 449.236 4.346 5 20 IIBD O=C(NC1CCN(CC2CCCC2)CC1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436227513 LQYBNBSKEOXLOP-UHFFFAOYSA-N 439.506 4.344 5 20 IIBD CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)Oc1ccc(C(C)=O)cc1[N+](=O)[O-] 440864408 DWYDANVTOQGMII-GFCCVEGCSA-N 434.470 4.004 5 20 IIBD C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)s1 442731436 UJJIRLXHRMRTQO-SSDOTTSWSA-N 425.713 4.112 5 20 IIBD COc1ccc(C[C@H](C)CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1OC 444282357 BSADUUZOZSDJIZ-HNNXBMFYSA-N 448.494 4.446 5 20 IIBD Cc1ccccc1[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 447025108 BGISRTZIVVFTCL-MRXNPFEDSA-N 425.304 4.192 5 20 IIBD CC(C)CN(C(=O)c1ccnn1CC(F)F)c1nc(-c2ccccc2[N+](=O)[O-])cs1 448341413 JMJASAXEYSLCNS-UHFFFAOYSA-N 435.456 4.483 5 20 IIBD Cc1cc(N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c(C(F)(F)F)cc1[N+](=O)[O-] 461773517 IMSUFXYCWBMXBL-LBPRGKRZSA-N 431.436 4.345 5 20 IIBD COc1ccccc1-c1ccc([C@H](C)NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 462495584 POTWOZNGDCHLEL-HNNXBMFYSA-N 442.493 4.319 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC[C@@](CO)(Cc2ccccc2)C1 462922697 CXFTVWNXRJFDCG-HHHXNRCGSA-N 426.516 4.139 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)c(OC(F)F)c2)c2ncccc12 463780973 JSZRYSIGVNSIRL-UHFFFAOYSA-N 429.788 4.199 5 20 IIBD CN(C(=O)[C@@H]1CCN(c2ccccc2F)C1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 464277127 CDBGFUVSSRGDSS-CQSZACIVSA-N 426.473 4.347 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)N(CC2CC2)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 464715107 XMKQHBDZKXSKLB-UHFFFAOYSA-N 442.415 4.074 5 20 IIBD COc1ccc(NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1Cc1ccccc1 465055180 CXIGTXZNAAICQD-UHFFFAOYSA-N 434.448 4.147 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])NCc1cc(Br)ccc1OC(F)F 465799834 JJRNRMNPXQLEQD-UHFFFAOYSA-N 444.232 4.001 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 466516088 QGSIXMVJBWEUBK-UHFFFAOYSA-N 431.404 4.046 5 20 IIBD CCOc1cc(C(=O)Nc2cc(F)cc(F)c2Br)c([N+](=O)[O-])cc1OC 468280349 JDQFVFUIJQCNDC-UHFFFAOYSA-N 431.189 4.295 5 20 IIBD O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 469150456 VTHJMWVPRNRHAY-UHFFFAOYSA-N 429.314 4.464 5 20 IIBD O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCSC[C@H]1c1cccc(C(F)(F)F)c1 473180006 AKQWRTFQODAZLF-WMZOPIPTSA-N 442.459 4.143 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NCC1(CCO)CCCC1 473576888 RQMYZXRNHZPCCY-UHFFFAOYSA-N 448.523 4.049 5 20 IIBD CCn1c(SCc2ccc(Cl)cc2-n2cncn2)nnc1-c1ccc([N+](=O)[O-])cc1 475893285 VNQJKDSSLAVORT-UHFFFAOYSA-N 441.904 4.400 5 20 IIBD O=C(Nc1ccc(OCCO)cc1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 476407668 XIELSTPVLPCBRR-UHFFFAOYSA-N 441.871 4.484 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c1[N+](=O)[O-] 480699329 OVSFJLQXPMEHMS-INIZCTEOSA-N 434.905 4.267 5 20 IIBD COc1ccc(CN(c2ccncc2)S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc1 480738028 PHUMRJRZEFENPZ-UHFFFAOYSA-N 427.482 4.011 5 20 IIBD CC(C)n1ncc2c1C[C@@H](NC(=O)c1cc(F)cc3c(=O)c4cccc(F)c4[nH]c13)CC2 481450135 IRCGHIBYCJUZRJ-HNNXBMFYSA-N 436.462 4.024 5 20 IIBD COC(=O)c1cc(OCc2csc(N(C(C)=O)c3ccc(F)cc3)n2)ccc1[N+](=O)[O-] 481894413 ASZMDHDGTBNZQI-UHFFFAOYSA-N 445.428 4.241 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 481956260 CFAYPSINHVVRMA-UHFFFAOYSA-N 436.917 4.149 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 483599147 ZMSJEAPMQBNOHH-DENIHFKCSA-N 427.932 4.304 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 485228332 FQAFEWJCDUQBBH-OAHLLOKOSA-N 449.960 4.386 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCC(Cc3ccc(F)cc3)CC2)c(C)c([N+](=O)[O-])c1 486860030 RQUUVYSCUCUKGG-UHFFFAOYSA-N 429.448 4.316 5 20 IIBD COC(=O)c1cc(NC(=O)N2CC[C@@H](Oc3cccc(Cl)c3)C2)c(C)c([N+](=O)[O-])c1 486864937 FPBMGRCEADCDTB-MRXNPFEDSA-N 433.848 4.028 5 20 IIBD Cc1ccc(-n2cnnc2SCC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl 488104912 JWYSVXBWWKEIJB-AWEZNQCLSA-N 445.932 4.415 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(OC[C@@H](OC(C)C)c2ccccc2)c([N+](=O)[O-])c1 488262496 LIXKHXRPVFNKGV-OAQYLSRUSA-N 436.530 4.170 5 20 IIBD COc1c(F)cc(S(=O)(=O)Nc2cc(F)ccc2SCC(F)F)cc1[N+](=O)[O-] 488269267 YEUVGKKAXGOJES-UHFFFAOYSA-N 440.396 4.040 5 20 IIBD COCCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@@H](C)c1cccc(C(F)(F)F)c1 488496003 PWZQGUCOSZEBPQ-LBPRGKRZSA-N 440.374 4.192 5 20 IIBD CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1-c1ccc([N+](=O)[O-])cc1 489396553 WJOWSBBWGCVYQK-UHFFFAOYSA-N 447.904 4.266 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O 489926356 BVYNSRPMFCTLIV-KRWDZBQOSA-N 433.917 4.238 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(C)c(S(=O)(=O)C2CCCC2)c1 491075679 HYMABJXICLTABJ-UHFFFAOYSA-N 432.498 4.271 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1OC1CCCC1 494252061 VJUXTFQTOXCMCQ-UHFFFAOYSA-N 431.876 4.328 5 20 IIBD CS(=O)(=O)c1cccc(N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)c1[N+](=O)[O-] 502780856 MMDJSASXOIPIMW-GOSISDBHSA-N 431.901 4.443 5 20 IIBD COCC[C@H](Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])c1ccco1 503301818 WREFHEJHBVDOQO-SFHVURJKSA-N 431.470 4.178 5 20 IIBD COc1cc(C(=O)N[C@H](c2ccccc2)c2nccs2)c([N+](=O)[O-])cc1OC(F)F 505088489 ZMRBLYNQAXRJTE-MRXNPFEDSA-N 435.408 4.181 5 20 IIBD O=C(N[C@@H]1CCOc2c(-c3ccccc3)cccc21)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 505139813 PGFRHIQDAMHSLC-HXUWFJFHSA-N 441.447 4.096 5 20 IIBD O=C(Nc1ccc(F)cc1OCCC(F)(F)F)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 505845457 OSCBJECLNAFLHN-UHFFFAOYSA-N 445.373 4.131 5 20 IIBD O=C(CC[S@@](=O)Cc1csc(-c2ccccc2F)n1)Nc1ccccc1[N+](=O)[O-] 507708387 JFALQWCDFFKAIC-GDLZYMKVSA-N 433.486 4.135 5 20 IIBD COc1ccc(CN2CCC[C@H](c3nc(C)no3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 509347726 CPZRZPZZYRIBMG-IBGZPJMESA-N 438.484 4.253 5 20 IIBD COc1ccc(CSCC(=O)Nc2cc(N3CCCC3=O)ccc2Cl)cc1[N+](=O)[O-] 509422891 UOCLMFQNVNEYBH-UHFFFAOYSA-N 449.916 4.256 5 20 IIBD COc1ccc(C2(CNC(=O)c3ccc([N+](=O)[O-])c(OC)c3)CCCCC2)cc1OC 510572977 MGFQXIATLWCVCB-UHFFFAOYSA-N 428.485 4.253 5 20 IIBD CN(C)C(=O)C[C@@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 512135447 KFXKDBZJWQHRLB-JOCHJYFZSA-N 446.507 4.156 5 20 IIBD CC[C@@](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)(C(=O)OC)c1ccc(Cl)cc1 512290779 ASAJJHJHDHEHBU-NRFANRHFSA-N 429.860 4.471 5 20 IIBD O=C(Nc1ccc(-c2nc3ccccc3s2)cn1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 517558997 NLAGWYKQJREXNV-UHFFFAOYSA-N 443.448 4.100 5 20 IIBD Cc1[nH]nc(C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2F)c1[N+](=O)[O-] 517818169 YHTCPFZEMLBWAT-OAHLLOKOSA-N 433.237 4.047 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)c([N+](=O)[O-])c1 518013249 FSUCQUFKOUKYFX-XJKSGUPXSA-N 449.891 4.254 5 20 IIBD O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCc3nc(-c4ccccc4Cl)sc3C2)c1 521503192 VNXBNJRBIZQRCJ-HNNXBMFYSA-N 445.928 4.170 5 20 IIBD CC[C@H]1CN(C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C[C@@H](C)O1 521991393 JNNCKYBRQDDKSJ-ZBFHGGJFSA-N 428.510 4.187 5 20 IIBD O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 524058359 LQDYYVRFQWOQQQ-UHFFFAOYSA-N 430.386 4.261 5 20 IIBD CC(C)N(Cc1ccc(-c2cccc(F)c2)s1)S(=O)(=O)c1cccnc1[N+](=O)[O-] 525699890 XGZVBNWXRQCMGV-UHFFFAOYSA-N 435.502 4.457 5 20 IIBD CN(Cc1ccco1)Cc1ccccc1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 534674231 NOXMUTPGIILYNK-UHFFFAOYSA-N 432.480 4.160 5 20 IIBD C[C@]1(c2ccc(F)cc2Cl)NC(=O)N(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1=O 534767230 KCZDLGBPCAVKHY-HXUWFJFHSA-N 444.806 4.010 5 20 IIBD O=C(CC1CCCCC1)Nc1cccc2c1CCCN2CCn1cc([N+](=O)[O-])ccc1=O 535583077 NPJRNQAHPKVPDS-UHFFFAOYSA-N 438.528 4.118 5 20 IIBD Cc1nc([C@@H](NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2)no1 536525751 PTWOVSHYDPDULX-DIFFPNOSSA-N 432.889 4.326 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(CN2CCOCC2)cs1 537518668 OZXHPNYZBVMLJW-UHFFFAOYSA-N 436.559 4.028 5 20 IIBD O=C(NC1(C(F)(F)F)CCC1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 537570844 OEVHZVCCEIIIIE-UHFFFAOYSA-N 439.356 4.431 5 20 IIBD COc1cc(C(=O)N2CC[C@@H](C)C3(CCC3)C2)c([N+](=O)[O-])cc1OCc1cscn1 537831748 OSBYYQMEAXBHFO-CQSZACIVSA-N 431.514 4.291 5 20 IIBD COc1cccc(-c2noc([C@@H](C)N[C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)n2)c1 542611400 IZHHIQZHPABNSN-OLZOCXBDSA-N 436.428 4.115 5 20 IIBD Cc1ccc(-c2noc([C@H](C)NCCC(=O)Nc3cccc([N+](=O)[O-])c3C)n2)cc1F 542617227 SZKLAGDTOJVKEL-AWEZNQCLSA-N 427.436 4.080 5 20 IIBD C[C@@H](N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)c1ccon1 542649143 USUWADOJRFIICB-KZULUSFZSA-N 445.273 4.376 5 20 IIBD COC(=O)[C@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 543209613 PLKACVTYHVRLFL-CQSZACIVSA-N 449.193 4.147 5 20 IIBD COc1cc(C(=O)N(C[C@@H](C)C(=O)O)C2CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 543710886 XUKJUINZQFIDTK-GFCCVEGCSA-N 448.859 4.374 5 20 IIBD COc1ccc(Br)cc1-c1noc(COc2ccc([N+](=O)[O-])c(OC)c2)n1 545631228 GSTZVNTZMVYKJU-UHFFFAOYSA-N 436.218 4.004 5 20 IIBD O=C1C[C@H](c2noc(-c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)n2)CN1CC1CCC1 545798435 QIJYMFZHECLDOK-IBGZPJMESA-N 447.495 4.373 5 20 IIBD CC(C)[C@H](Sc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C)C(=O)Nc1ccccc1Cl 547252505 PXZNVJRHNJLRDL-KRWDZBQOSA-N 446.916 4.251 5 20 IIBD Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 556952694 AFZYXGFISYAHRV-UHFFFAOYSA-N 431.330 4.706 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1 558761783 JCDDXNUBPMKICZ-UHFFFAOYSA-N 434.452 4.192 5 20 IIBD C[C@]1(c2ccccc2)CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCOC2)C1 559241750 UPVVVKFLCQEBFN-CLOONOSVSA-N 447.539 4.448 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCc1cccc(NC(=O)C2CCC2)c1 559517636 RZDJMNAPKYHPMV-UHFFFAOYSA-N 446.301 4.334 5 20 IIBD COCCCOc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1OC 560738116 MUOIBGUCLOMLPC-UHFFFAOYSA-N 439.262 4.034 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N(C)C[C@H](O)Cc3ccccc3)cc2[N+](=O)[O-])n1 560770545 KOTHTUYLGSKXNZ-QGZVFWFLSA-N 443.550 4.187 5 20 IIBD CNC(=O)c1cc(Oc2ccc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)cc2F)ccn1 564522482 XPDRDWCEIXCGHK-UHFFFAOYSA-N 444.806 4.187 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCC(F)(c2cccnc2)CC1 567742656 OYPBSNRKVNSUQT-UHFFFAOYSA-N 437.421 4.456 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1nc2ccc(Cl)cc2n1Cc1ccccc1 569958790 MXNKVTROLQPNJG-UHFFFAOYSA-N 438.875 4.180 5 20 IIBD COC(=O)c1c(F)ccc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1F 582516738 KTAFETUQLGHMNG-UHFFFAOYSA-N 433.289 4.000 5 20 IIBD O=C(NC[C@@]1(CO)C[C@@H]1c1ccccc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 582817261 GXNSTFQYVQRTHU-RCZVLFRGSA-N 432.476 4.070 5 20 IIBD COc1ccc(CC[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1OC 583654253 DXXGAFGCMSHJNQ-GOSISDBHSA-N 448.541 4.096 5 20 IIBD CNc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] 603575565 CQLYTXLGFKFJEM-MRXNPFEDSA-N 437.283 4.187 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1OCC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 603725997 VOURKWUHJZEVQQ-UHFFFAOYSA-N 440.477 4.348 5 20 IIBD COc1ccc(CN(C)c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)cc1OC(F)F 603943407 COQNTAWMZSZNCX-UHFFFAOYSA-N 435.427 4.077 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)c1C 603983029 DIALYONDIUXYLZ-OAHLLOKOSA-N 431.514 4.027 5 20 IIBD O=C(Nc1ccc(F)cc1)[C@@H]1CCc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])s1 608872335 MRYYLFJBVYIHEY-KRWDZBQOSA-N 425.441 4.396 5 20 IIBD COc1cc(C(=O)NCc2ccccc2-c2ccc(Cn3cccn3)cc2)ccc1[N+](=O)[O-] 608913390 FVZAPZDCUWJDIP-UHFFFAOYSA-N 442.475 4.445 5 20 IIBD O=C(CCCCc1ccc(I)cc1)NCc1cccc([N+](=O)[O-])c1 609020596 JQBBGZNNZGTYCZ-UHFFFAOYSA-N 438.265 4.229 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1ccc(Cl)c2cccnc12 609128369 IFRQVEDIDHJXHR-UHFFFAOYSA-N 442.678 4.360 5 20 IIBD COc1cc(C(=O)Nc2cccc(-c3nccc(C)n3)c2)c([N+](=O)[O-])cc1OC(F)F 609646272 BKTYUQFXCDOGBL-UHFFFAOYSA-N 430.367 4.223 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCCc1ccc(F)c(Br)c1 609723732 YOEZHUMEUUGWFO-UHFFFAOYSA-N 445.672 4.278 5 20 IIBD COc1ccc(CC(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)cc1OC 609816592 AEYABFYHPFDKDM-UHFFFAOYSA-N 448.435 4.239 5 20 IIBD COC(=O)c1cc(NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)cc([N+](=O)[O-])c1 609884728 BGWHEMDOHAARMS-UHFFFAOYSA-N 431.857 4.340 5 20 IIBD CC(C)c1cc(Br)ccc1NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 611181304 XTRWOWQZMSSKLR-GFCCVEGCSA-N 434.290 4.238 5 20 IIBD COC[C@H](NCCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1cccc(C(F)(F)F)c1 611396775 KEGIPKWFVDIPKU-KRWDZBQOSA-N 425.407 4.228 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 611562228 VRQKUIXWZRTZLX-KSFYIVLOSA-N 449.511 4.241 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H](Cn2cnc3ccccc32)C1 619544703 WGHGSVSQHDLUIL-MRXNPFEDSA-N 442.903 4.306 5 20 IIBD COc1ccc2ccc(OC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2c1 726497736 BSTJAGJPISFKHS-JOCHJYFZSA-N 434.448 4.275 5 20 IIBD C[C@H](OC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 728318643 DMSRXVANKBJCHG-JTQLQIEISA-N 430.766 4.301 5 20 IIBD COc1ccc(CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)cc1OC1CCCC1 728569005 FWELRKOOHNPWSO-UHFFFAOYSA-N 425.485 4.429 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 728896874 IXQDUISHRHRCCH-HNNXBMFYSA-N 437.562 4.181 5 20 IIBD O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 729832018 FVJBHOWQVZXNJG-UHFFFAOYSA-N 445.344 4.338 5 20 IIBD COc1ccc2oc([C@H](C)NC(=O)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c(C)c2c1 730387817 NVQKXBRXAAQKDL-NSHDSACASA-N 431.832 4.127 5 20 IIBD CC(C)Oc1ccc(Cl)cc1C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730705605 XQHTZHQCALLXAZ-INIZCTEOSA-N 446.887 4.497 5 20 IIBD O=C(COC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)no1)Nc1ccccc1[N+](=O)[O-] 730857447 HDAYAWCAUGHNNH-UHFFFAOYSA-N 435.314 4.064 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCO[C@@H](c2cccc(Br)c2)C1 732578755 PZRYPWAWIUVUTE-MRXNPFEDSA-N 425.666 4.224 5 20 IIBD C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC[C@@H]1c1ccccc1 742315185 CTXTWLBHHVWPTO-BBRMVZONSA-N 439.331 4.172 5 20 IIBD Cc1ccc([C@@H](O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 743259285 VDFQWFHRPKMVLF-NRFANRHFSA-N 446.912 4.486 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC(F)F 744534472 RLEQGQJZJSFGMK-VIFPVBQESA-N 444.774 4.042 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc(CN(C)C(=O)C(C)C)cc1 745172483 TUIYYQJWORRXEP-UHFFFAOYSA-N 428.485 4.353 5 20 IIBD CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 747963694 OMUBBIPEMLWLFI-CYBMUJFWSA-N 439.449 4.105 5 20 IIBD CCCCCC(=O)NC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)CC1 748191773 PSNLPEAMRVNTDL-UHFFFAOYSA-N 444.576 4.132 5 20 IIBD CC(C)[C@H](OC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)N1CCc2sccc2C1 754989327 PSGDCDCFSBISDS-KRWDZBQOSA-N 440.880 4.215 5 20 IIBD COc1ccc([C@@H](NC(=O)COC(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C(C)C)cc1 754991661 XSYAOHWUAXPUQR-IBGZPJMESA-N 438.839 4.066 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC[C@H]1c1cccc2c1OCCO2 755026927 ASOMBTNXQSHADL-HNNXBMFYSA-N 448.273 4.498 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@@H](C)c1cc(F)cc(F)c1 756325458 PLQRXUUCNBOTOZ-SGTLLEGYSA-N 438.452 4.029 5 20 IIBD C[C@H](OC(=O)c1cnc(Cc2ccccc2)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 756534270 JUPCELRLEJUSGU-LBPRGKRZSA-N 445.884 4.480 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 756652596 OMFSKNILXCJUEQ-OLZOCXBDSA-N 433.427 4.035 5 20 IIBD Cc1cc(F)cc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)c1[N+](=O)[O-] 758473186 APRGXHNDJUZVFT-LJQANCHMSA-N 449.910 4.278 5 20 IIBD COc1ccc2nc(Cl)ccc2c1S(=O)(=O)Oc1c(Cl)cccc1[N+](=O)[O-] 760616469 KVFOEBZUBRYYKE-UHFFFAOYSA-N 429.237 4.226 5 20 IIBD CCCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c(OC(F)F)c1 760702977 LVDOYCKNTBBZMP-UHFFFAOYSA-N 439.371 4.132 5 20 IIBD O=C(Cc1ccccc1)NCCc1nc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)no1 761857408 INHQTUXYDXZNRV-UHFFFAOYSA-N 444.447 4.339 5 20 IIBD Cc1cc(Cc2noc(-c3nc(NCc4ccco4)ncc3Cl)n2)ccc1[N+](=O)[O-] 762301150 XTGPMVGHFGIILO-UHFFFAOYSA-N 426.820 4.193 5 20 IIBD Cc1nccn1CCCOC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 763111685 JXKNRHKRCCIIKD-UHFFFAOYSA-N 442.859 4.253 5 20 IIBD C[C@H]1[C@H](C(F)(F)F)OC(=O)N1c1ncccc1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] 764301080 PGQIXZBOQOUYBD-ISVAXAHUSA-N 444.753 4.172 5 20 IIBD C[C@H](Sc1ncccc1C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)N1CCCC1 764597456 MKAIDURUXJJFBM-GJZGRUSLSA-N 429.498 4.011 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 765544819 HGSVUZFETXIWCM-CTNGQTDRSA-N 436.512 4.042 5 20 IIBD O=[N+]([O-])c1c(Sc2nnc(COc3ccccc3)n2Cc2ccco2)nc2ccccn12 765553123 NXJHUTZEIBMVBT-UHFFFAOYSA-N 448.464 4.206 5 20 IIBD CC(C)CO[C@H](C)c1noc(CN(C)Cc2c(Br)cccc2[N+](=O)[O-])n1 769559251 WKXDIRPEUVJMPZ-GFCCVEGCSA-N 427.299 4.106 5 20 IIBD C[C@H]1C[C@@H](CNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 771327918 WVMWPGULCKOMPX-KBPBESRZSA-N 431.876 4.045 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c32)c1 773023350 ZVXBIHFAFIYVML-UHFFFAOYSA-N 447.513 4.310 5 20 IIBD CCCN1C(=O)CCc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3Br)ccc21 773397174 MBDUJLZJKHMWBS-UHFFFAOYSA-N 432.274 4.299 5 20 IIBD O=C(O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])[C@H]1CC(c2cc(F)ccc2F)=NO1 776131227 DWGPEHKOZNSYCQ-NHCUHLMSSA-N 439.374 4.094 5 20 IIBD Cc1c(C(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])cnn1Cc1ccccc1 776134942 DMTKCOYCXWNXDR-HSZRJFAPSA-N 428.448 4.489 5 20 IIBD CCN(CC)c1ccc(-c2nnc(SC[C@@H](O)c3ccc([N+](=O)[O-])cc3)n2C)cc1 776277175 PLMVSYRZJIQLTN-LJQANCHMSA-N 427.530 4.062 5 20 IIBD O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 776588393 UIDWSZMLPHXVRH-QFBILLFUSA-N 428.876 4.211 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1NC(=O)c1cccs1 777933452 NRKZYWPVMFRUGJ-UHFFFAOYSA-N 435.458 4.157 5 20 IIBD O=C(OCc1nc(-c2cccc(C(F)(F)F)c2)no1)C(F)(F)c1ccc([N+](=O)[O-])cc1 778166574 QLRVCCXSEPCJQJ-UHFFFAOYSA-N 443.284 4.499 5 20 IIBD O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)c1cc([N+](=O)[O-])c2nsnc2c1 778284454 WEZMSMKVLMVUCJ-SSEXGKCCSA-N 438.490 4.160 5 20 IIBD Cc1nc(COc2ccccc2C(=O)O[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)cs1 778793719 YAPVXZJUIAXOIF-LJQANCHMSA-N 439.493 4.374 5 20 IIBD COc1ccc(C(=O)c2ccccc2C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 781294633 AYIZIOPKSFPEGV-HNNXBMFYSA-N 448.431 4.018 5 20 IIBD O=C(NCCOc1ccccc1-c1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 783312701 YFUOGYNZYAXXJL-UHFFFAOYSA-N 439.855 4.049 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1cccc(C2SCCS2)c1 783890508 XKUFSCDNWXWUKL-UHFFFAOYSA-N 445.566 4.449 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)OCc1nnc(-c2ccccc2Br)o1 784085103 NNWMIKALXUJCHR-UHFFFAOYSA-N 432.230 4.083 5 20 IIBD COc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c(OCc2ccccc2)c1 784169410 KCVODXCSPIIJCF-UHFFFAOYSA-N 426.400 4.339 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c(C)cc1C 788569225 HMVNZAIOXDFEIE-UHFFFAOYSA-N 425.210 4.152 5 20 IIBD CC(=O)Nc1cccc(-n2c(SCc3ccc([N+](=O)[O-])c(F)c3)nnc2C2CC2)c1 789908995 SWGLXGNEENZZGJ-UHFFFAOYSA-N 427.461 4.443 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccccc1I 790616308 VGKJHZWVSNAAJC-UHFFFAOYSA-N 434.592 4.173 5 20 IIBD CC(C)(C)OC(=O)N1CC=C(CCNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 793413590 JOIOSNDIEVLAMT-UHFFFAOYSA-N 444.532 4.226 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(-c3ccc(Cl)cc3)ncn2)ccc1Cl 795571524 ITMGIQRJCCXWAD-UHFFFAOYSA-N 425.253 4.159 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])Cn1[nH]c(-c2ccccc2Br)nc1=S 795644177 JNKXLSZYSDNERP-UHFFFAOYSA-N 448.346 4.410 5 20 IIBD Cc1noc(-c2cc(Cl)ccc2OS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)n1 795935313 ARRSDBUTVGOUEM-UHFFFAOYSA-N 448.215 4.167 5 20 IIBD COc1c(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cccc1[N+](=O)[O-] 796311525 WYXHPEJZCNEKPB-VIFPVBQESA-N 446.765 4.460 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cc2sc(N3CCCC3)nc2s1 796312688 DOGDFRJDGAEVRU-UHFFFAOYSA-N 447.494 4.090 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@H](CCO)c1ccc(Cl)c(Cl)c1 806948933 BBXOCOKBOFUHHH-MRXNPFEDSA-N 432.691 4.478 5 20 IIBD CC(C)Oc1cccc(CNCc2cc(I)cc([N+](=O)[O-])c2)c1 810130643 ACHARFFPKPJGOJ-UHFFFAOYSA-N 426.254 4.276 5 20 IIBD Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)c12 813332876 FOHHMWDHIFTMRH-UHFFFAOYSA-N 435.367 4.285 5 20 IIBD C[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(C(F)(F)F)nc1Cl 816763062 MKIXGJSIFYEKND-JTQLQIEISA-N 439.781 4.339 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1I)N1CCC[C@@H](c2ccccc2)C1 817108038 UKEHTFFMDANIEB-CQSZACIVSA-N 436.249 4.219 5 20 IIBD C[C@H](OC(=O)c1ccc(NS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1)c1ccccc1 842651615 RPSAZTDRDQSHDT-AWEZNQCLSA-N 442.449 4.019 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)OC(c1ccc(F)cc1)c1ccc(F)cc1 848949283 NXIUOOYDZWWCLU-UHFFFAOYSA-N 440.402 4.326 5 20 IIBD COc1ccccc1NC(=O)[C@@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(C)C 877067638 JXLBKGPBKRWBIG-NRFANRHFSA-N 441.484 4.024 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2csc(Cc3ccccc3)n2)cccc1[N+](=O)[O-] 915455133 WWULIBIGNHLAOD-AWEZNQCLSA-N 425.466 4.135 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Oc1cccc(C(=O)NC2CC2)c1 916480893 MSLKTKIQVKTTMM-UHFFFAOYSA-N 440.399 4.204 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1cccc(COCCc2ccccc2)c1 920832303 KIVBSGXUNQZFKH-UHFFFAOYSA-N 430.457 4.294 5 20 IIBD C[C@H](COc1ccccc1F)NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 1115885713 YRGVVQLNRNGRCU-HZPDHXFCSA-N 438.459 4.499 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H](C)CC(=O)OC(C)(C)C)cc1 1116056373 ZFOKCBZXCTZCJK-CQSZACIVSA-N 430.457 4.246 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(Br)cc(Br)c1O 1120568362 XVHGNQYGXOUROO-UHFFFAOYSA-N 444.079 4.098 5 20 IIBD Cc1c(C(=O)N2CC(Cc3ccccc3C(F)(F)F)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 1319035382 LFZOKYWCNPQHOR-UHFFFAOYSA-N 437.374 4.453 5 20 IIBD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(-c3cc(SC)ccc3[N+](=O)[O-])o2)c1 1322359924 GBZFBSFANZJVDV-UHFFFAOYSA-N 448.526 4.064 5 20 IIBD COc1cccc2cc(CNCc3cc(I)cc([N+](=O)[O-])c3)oc12 1323922792 GYJNXNHWLAATJF-UHFFFAOYSA-N 438.221 4.244 5 20 IIBD CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1c1nnc(COc2ccccc2[N+](=O)[O-])o1 1326073752 ZUXNAEKPWMUUKQ-KXBFYZLASA-N 436.468 4.229 5 20 IIBD Cc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2N)cc1NC(=O)C(C)(C)C 1340032136 QYHZYNKEJYGLNI-UHFFFAOYSA-N 449.305 4.485 5 20 IIBD CCc1ncccc1C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1 1787091726 MAXBFNWQRFGDBS-UHFFFAOYSA-N 434.452 4.207 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(Cl)c2)[nH]n1)c1ccc([N+](=O)[O-])o1 1814311382 HVIALLNQYRFCAD-OAHLLOKOSA-N 443.847 4.184 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@H]2CCCCN2C(=O)C2(F)CCCCC2)CC1 1828407783 AAVOPKOEJODRTC-QGZVFWFLSA-N 435.496 4.094 5 20 IIBD CCC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)CCC1 1830704921 RRHRGSGKIFSIKD-OAQYLSRUSA-N 443.544 4.114 5 20 IIBD O=C(CCC1CCC1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 1847702527 OTXJVKSRQVYXFH-ROUUACIJSA-N 427.526 4.205 5 20 IIBD CCN(CC)c1ccc(-c2nnc(SCC(=O)N(C)c3ccc([N+](=O)[O-])cc3)o2)cc1 10350697 JCUJQFJKDKLYBI-UHFFFAOYSA-N 441.513 4.246 5 20 IIBD C[C@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccn1 10557685 NKYBHTWHBLJZAZ-KRWDZBQOSA-N 427.464 4.262 5 20 IIBD COc1cc(C(=O)O[C@@H](C(=O)Nc2ccccc2)c2ccccc2)c([N+](=O)[O-])cc1OC 11322261 XRASNTTXVPXVTL-OAQYLSRUSA-N 436.420 4.149 5 20 IIBD Cc1ccc(-c2cnc(CCC(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)o2)cc1 11643515 ANLBMMAUOKEYEL-UHFFFAOYSA-N 443.843 4.326 5 20 IIBD COc1ccc(CNc2nnc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)s2)cc1 16324413 SAHVTCABKBLTIA-LBPRGKRZSA-N 445.526 4.186 5 20 IIBD Cc1ccc(-c2csc3ncn(CCC(=O)Nc4ccc([N+](=O)[O-])cc4)c(=O)c23)cc1 26858380 DTGUYFNRLQKGEC-UHFFFAOYSA-N 434.477 4.370 5 20 IIBD CC(C)c1noc(COC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 29137770 GZSHOWDMSXLIGT-UHFFFAOYSA-N 429.816 4.343 5 20 IIBD O=C(CCCc1nc2ccccc2[nH]1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 29259974 YWJKCRWMRPLMDL-UHFFFAOYSA-N 435.406 4.041 5 20 IIBD O=C(CCn1cnc2ccccc21)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 29475533 IPQSKAOGCRJWKM-UHFFFAOYSA-N 430.420 4.193 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1cc(-c2ccccc2F)on1)c1ccccc1[N+](=O)[O-] 30034453 GGTBVXYIZLAKMI-QGZVFWFLSA-N 441.415 4.202 5 20 IIBD COc1ccc(CSCC(=O)Nc2cccc(Oc3cnccn3)c2)cc1[N+](=O)[O-] 33138516 ONZPLNRKPIXSOI-UHFFFAOYSA-N 426.454 4.058 5 20 IIBD COc1ccc(-n2c(SCC(=O)c3cccc([N+](=O)[O-])c3)nnc2-c2ccncc2)cc1 34868863 RRWCKCFKVMTSOO-UHFFFAOYSA-N 447.476 4.221 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCCCOCC3CC3)c([N+](=O)[O-])c2)c(C)c1 61174455 KMWMDCWKUVZHEH-UHFFFAOYSA-N 433.530 4.241 5 20 IIBD CN(C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Oc2ccccc2)cc1 63829682 PXSBGLJOVVGECO-UHFFFAOYSA-N 437.477 4.241 5 20 IIBD COC(=O)c1ccc(OCC(=O)N(C)C(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 69820427 VIUOAEIVCJBNDS-UHFFFAOYSA-N 434.448 4.008 5 20 IIBD O=C(c1ccc(Oc2ccccc2)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 117055816 ITGOGSHNWBRNTR-UHFFFAOYSA-N 437.477 4.047 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC[C@H]2c2nc(Cc3ccc(Br)cc3)no2)nc1 301223807 DOZAYIHGTSTVFX-HNNXBMFYSA-N 430.262 4.068 5 20 IIBD CC1(C)CC[C@@H](NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c2ccccc21 303417707 BUTKKPKQDVKDRO-IAGOWNOFSA-N 427.526 4.190 5 20 IIBD O=C(Nc1ccc(-c2cncnc2)cn1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 410163535 ZEKMCRYMOKZGPE-UHFFFAOYSA-N 427.420 4.278 5 20 IIBD CCc1ncsc1NC(=O)c1ccc(C(=O)Nc2scnc2CC)c([N+](=O)[O-])c1 427058249 ZPYAPILDGKBCBA-UHFFFAOYSA-N 431.499 4.137 5 20 IIBD O=C(Nc1cccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1)c1ccncc1 429930181 HVLNLJPWSIEPCI-UHFFFAOYSA-N 441.241 4.257 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@H](c2ccccc2)C2CCC2)cc(Br)cc1[N+](=O)[O-] 430317494 RITDANKTQXJMHD-GOSISDBHSA-N 446.301 4.262 5 20 IIBD CC(=O)N[C@H](C)CCc1ccc(C(=O)COc2c(Br)cccc2[N+](=O)[O-])cc1 431218101 KSLUZRAXKMTPJO-CYBMUJFWSA-N 449.301 4.076 5 20 IIBD C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CC[S@@](=O)C1 432616889 LRRUHXUUIHKWTF-CFJPQMKISA-N 438.958 4.240 5 20 IIBD CN(Cc1cccs1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435483842 UAZVQCYYLLXTQY-UHFFFAOYSA-N 433.536 4.466 5 20 IIBD CC[C@H](c1ccccc1)N(CC(C)C)C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 435855640 KREFNLXNMMTNKN-LJQANCHMSA-N 437.496 4.498 5 20 IIBD C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 436133224 LZSOMGKNZBKZNJ-FUHWJXTLSA-N 429.495 4.386 5 20 IIBD Cc1ccccc1CN(Cc1cccnc1)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 437714207 GBNOBLSQRVGSAO-UHFFFAOYSA-N 438.871 4.119 5 20 IIBD CC(C)c1ccc(C(=O)Nc2ccc(C(=O)N3CCOCC3)c(Cl)c2)cc1[N+](=O)[O-] 438963730 SZRDAEJUWZGTTM-UHFFFAOYSA-N 431.876 4.096 5 20 IIBD C[C@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1)n1nnc(-c2ccccc2)n1 440608789 BMRUDWUWRZQPLJ-QGZVFWFLSA-N 428.452 4.043 5 20 IIBD CN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 441955252 QVYDLUPGNULZTG-KRWDZBQOSA-N 436.917 4.146 5 20 IIBD Cc1ccc2oc(-c3nnc(NS(=O)(=O)c4cc(Cl)c(C)c([N+](=O)[O-])c4)o3)cc2c1 443153914 FLMJSTAENFOJRI-UHFFFAOYSA-N 448.844 4.462 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCc1ccc(I)s1 443950214 HEVCHQYIJMOZFU-UHFFFAOYSA-N 445.282 4.242 5 20 IIBD Cn1c(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)nc2cc(Cl)ccc21 444327950 LPJRTPXDPMUYRY-UHFFFAOYSA-N 434.858 4.291 5 20 IIBD CC[C@H](C)c1ccc(NC(=O)Cc2noc(-c3cc(OC)c(OC)c([N+](=O)[O-])c3)n2)cc1 445273295 NHYBTHKGLCHTMW-ZDUSSCGKSA-N 440.456 4.357 5 20 IIBD CC[C@@H](Cc1ccccc1Br)C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 461411566 OXCWBGZAXNJAGH-AWEZNQCLSA-N 433.302 4.347 5 20 IIBD Cc1cc(-c2nnc(N3CCc4ccc([N+](=O)[O-])cc4C3)n2C[C@@H]2CCCCO2)c(C)o1 461657798 CZSFKIJZKNPRAM-FQEVSTJZSA-N 437.500 4.195 5 20 IIBD C[C@@H]1C[C@H](c2cccc(F)c2)N(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 462721365 SMFSXXHDNCQECV-IAQYHMDHSA-N 443.294 4.268 5 20 IIBD C[C@@H](c1ccsc1)N1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 463031860 GKPGIBPMJKWQGH-AWEZNQCLSA-N 428.539 4.299 5 20 IIBD COc1ccc(S(=O)(=O)N(C)[C@H](c2ccc(Cl)cc2)C(F)(F)F)cc1[N+](=O)[O-] 464408000 ZWKBSSILRXYKTI-OAHLLOKOSA-N 438.811 4.181 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)c1 466545744 SYNFDIBBAWHZHT-INIZCTEOSA-N 429.267 4.022 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 468728371 YGIFNFFNKLVRJP-KRWDZBQOSA-N 441.912 4.040 5 20 IIBD O=C(c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)N1C[C@H](c2ccccc2)c2ccccc21 470211935 OGFXJPXSDXXZIE-LJQANCHMSA-N 441.443 4.041 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N2C[C@H](C3CC3)O[C@H](C)C2)cc1[N+](=O)[O-] 470694294 PXOQFDRPFILRCM-JLTOFOAXSA-N 440.521 4.187 5 20 IIBD Cc1nc(Sc2nnc(-c3ccccc3)n2Cc2ccc3c(c2)OCO3)ccc1[N+](=O)[O-] 471612550 TWNJRNWOZSZVQL-UHFFFAOYSA-N 447.476 4.485 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCc1ccccc1-c1ccc(Cl)cc1Cl 472223891 PPICICWYGMOUDC-UHFFFAOYSA-N 432.263 4.047 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCCc2nc(C)c(C)s2)c([N+](=O)[O-])c1 477148340 BTUPZJKCGLLARX-UHFFFAOYSA-N 439.493 4.340 5 20 IIBD COC(=O)c1cnc(N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)c([N+](=O)[O-])c1 477749825 VXPCAVAMUCGMTR-UHFFFAOYSA-N 440.283 4.269 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc1SC 479782567 GMYZNNWPSDUIMO-SECBINFHSA-N 446.451 4.192 5 20 IIBD COc1ccc(CSCC(=O)NCCOc2ccc3ccccc3c2)cc1[N+](=O)[O-] 481827388 YXYZAPLTWMARSK-UHFFFAOYSA-N 426.494 4.185 5 20 IIBD CC1CCN(c2ccc(C(=O)NCc3cnn(Cc4ccccc4)c3)cc2[N+](=O)[O-])CC1 481952936 OGERWLQYNHPTRX-UHFFFAOYSA-N 433.512 4.006 5 20 IIBD COc1cc(OC)c(OC)cc1NC(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 483397275 RDPMTVVVZBCQPD-GASCZTMLSA-N 443.500 4.355 5 20 IIBD C[S@](=O)Cc1cc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])ccc1Cl 485472691 XKESBQKZQHBHRA-QHCPKHFHSA-N 437.724 4.203 5 20 IIBD CSc1cccc(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)c1[N+](=O)[O-] 486210337 AUKRNGSUMZQPFP-UHFFFAOYSA-N 433.445 4.370 5 20 IIBD CC(C)n1nnnc1-c1ccccc1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 488592269 DOKPRIHDFZGIFX-UHFFFAOYSA-N 449.393 4.170 5 20 IIBD Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 489292186 MZVTVCWJKWZATH-UHFFFAOYSA-N 428.861 4.148 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)cc1OC 490225025 PEMAUGWWJMFOPC-NRFANRHFSA-N 441.528 4.205 5 20 IIBD O=C(c1ccc(S(=O)(=O)c2ccccc2)s1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 490439239 YHKGJCDBKFGSJZ-UHFFFAOYSA-N 442.518 4.294 5 20 IIBD CC(C)n1c([C@H](C)NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)nc2ccccc21 495477091 FJLHETAXRWJINI-HNNXBMFYSA-N 432.484 4.417 5 20 IIBD COc1ccccc1[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)N1CCCCC1 498187011 DUIAZKMEHMDSDK-NRFANRHFSA-N 434.496 4.109 5 20 IIBD Cn1cc(C(=O)NCC2(c3ccc(F)cc3Cl)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 498797168 CHICNGQBQSMIMK-UHFFFAOYSA-N 428.851 4.249 5 20 IIBD COc1ccc(CNC(=O)CCOc2ccc(Cl)cc2Br)cc1[N+](=O)[O-] 501700547 KIOCHJNIKBNPLI-UHFFFAOYSA-N 443.681 4.105 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 502138102 CLDLTLNAUWVUHN-GFCCVEGCSA-N 436.399 4.149 5 20 IIBD CC[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc2c(c1)OCCO2 502204925 RMLPNOVUXSXJIG-INIZCTEOSA-N 425.466 4.371 5 20 IIBD CCOc1ccc([C@@H](NC(=O)CCn2cc([N+](=O)[O-])nc2C)c2cccc(Cl)c2)cc1 502368281 UKTZYVRLFMIURT-JOCHJYFZSA-N 442.903 4.448 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1 505333981 UUPDEOQQIXKKBD-CYBMUJFWSA-N 449.866 4.032 5 20 IIBD O=C(COc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)NCC1CC1 507793413 MDSGUUKGLPUDGV-UHFFFAOYSA-N 438.267 4.059 5 20 IIBD COc1cc(C(=O)N2CCC(CN(C)C)CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 509940982 VUMMHMJLECMJFK-UHFFFAOYSA-N 447.919 4.463 5 20 IIBD O=C(N[C@@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 512886698 KGAPQGCPLYGGLC-HXUWFJFHSA-N 445.479 4.375 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)c1cccs1 513061374 LOOMMWUJMZOBDJ-SNVBAGLBSA-N 430.267 4.403 5 20 IIBD Cc1ccc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccs2)cc1[N+](=O)[O-] 514550302 MXWVTCXFZHJDBG-SFHVURJKSA-N 429.885 4.462 5 20 IIBD COC(=O)[C@@H](C)NC(=O)c1ccc(NC2CCC(c3ccccc3)CC2)c([N+](=O)[O-])c1 515545035 GWIAUKVZHGTZLB-LSJNQWAISA-N 425.485 4.024 5 20 IIBD O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 518442850 BHKJGXXLKOSKMR-UHFFFAOYSA-N 444.451 4.086 5 20 IIBD CCN1CC[C@@H](N(C)C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)C[C@@H]1C 519038486 FGRUUOXEHAQMDY-GOEBONIOSA-N 434.587 4.456 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCc3nc(-c4cccs4)no3)cc2[N+](=O)[O-])C1 521634976 HRZJKJRSOAQFOU-KBPBESRZSA-N 441.513 4.119 5 20 IIBD COCCN(C(=O)CO[C@@H]1CCC[C@H](C)C1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 522157539 GAZHRUJMIKMXAC-MAUKXSAKSA-N 433.530 4.293 5 20 IIBD COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c(Br)c1 523508311 UYLVVZXYXKNJIT-UHFFFAOYSA-N 430.052 4.381 5 20 IIBD COC(=O)[C@H](C)CNC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 523911109 QJDVCMGSGLKUTN-LLVKDONJSA-N 442.415 4.304 5 20 IIBD CC[C@@H](c1ccc(F)cc1)S(=O)(=O)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] 524251462 DAILZVFXZWLKOK-KRWDZBQOSA-N 433.404 4.410 5 20 IIBD O=C1c2ccccc2N[C@H](c2ccc(Br)cc2[N+](=O)[O-])N1C[C@@H]1CCCO1 532263610 KCKDISODWRLGAI-UGSOOPFHSA-N 432.274 4.103 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC(c3nc(C)no3)CC2)c([N+](=O)[O-])c1 532486432 BMMYIVKISADCPD-NRFANRHFSA-N 435.484 4.154 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CS(=O)(=O)Cc3cc(-c4ccccc4)on3)co2)cc1 535507149 KSZGLGZAEHNEBR-UHFFFAOYSA-N 425.422 4.020 5 20 IIBD CN1CC[C@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 535675668 NLWRFKNSCGASFP-VLIAUNLRSA-N 437.924 4.289 5 20 IIBD CO[C@@H]1CCC[C@H]1CNC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 537141245 OHBGIMJOFLZHPE-HNAYVOBHSA-N 428.510 4.093 5 20 IIBD COc1cccc([C@H](Cc2cc(C)cc(C)c2)NCc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 537159241 JXGBHFQNYHXXNS-QHCPKHFHSA-N 433.508 4.393 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCNC1(c2ccc3c(c2)OCCO3)CCCC1 538142516 BMTNMZJPTORXFS-UHFFFAOYSA-N 425.485 4.062 5 20 IIBD COc1ccc(-c2nc(NC(=O)CN[C@@H](C)c3cccc([N+](=O)[O-])c3)sc2C)cc1 538178330 AGLGJQOEADDAJM-ZDUSSCGKSA-N 426.498 4.325 5 20 IIBD Cc1ccc(-c2csc(NC(=O)CCCNC(=O)[C@H]3CC=CCC3)n2)cc1[N+](=O)[O-] 538409659 UHSLLXHAHCRSKG-HNNXBMFYSA-N 428.514 4.218 5 20 IIBD Cc1ccc(-c2ccsc2C(=O)NCCNc2ncnc3ccc([N+](=O)[O-])cc23)cc1 538819668 MWAQHUMGUYZMGA-UHFFFAOYSA-N 433.493 4.417 5 20 IIBD Cc1ccc([C@@H](C)N[C@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1[N+](=O)[O-] 539122810 XWFHDKPQKYRRFZ-QZTJIDSGSA-N 431.558 4.490 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNC3CCN([C@@H]4CCCC[C@@H]4O)CC3)o2)c(Cl)c1 539525263 GDOYVHIYNNXWMH-RTWAWAEBSA-N 433.936 4.366 5 20 IIBD CCCc1[nH]nc(C(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)c1[N+](=O)[O-] 539893101 UWRYJAUSXLWBHB-UHFFFAOYSA-N 432.309 4.053 5 20 IIBD CC(C)Cn1cc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(C(F)F)n1 540113492 VIFSLIBVPKVMKL-UHFFFAOYSA-N 437.447 4.460 5 20 IIBD C[C@@]1(c2ccc(Br)s2)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2Cl)C1=O 541075482 BZPSXOAAXPSLOK-HNNXBMFYSA-N 444.694 4.039 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(I)c1 545959249 UOWJHZZFLPLPDX-UHFFFAOYSA-N 426.210 4.159 5 20 IIBD Cc1ccnc2[nH]c(Cc3noc(-c4ccc(N5CCC[C@@H](C)C5)c([N+](=O)[O-])c4)n3)nc12 547187167 VPHAJLOJFBBHOM-CYBMUJFWSA-N 433.472 4.052 5 20 IIBD Cn1ccnc1[C@@H](N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1ccc([N+](=O)[O-])cc1 556885058 KYKZMDIQNNOISR-YWZLYKJASA-N 429.883 4.079 5 20 IIBD C[S@](=O)Cc1ccc(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1 557760694 IHHDVXUWQWIGBA-HKBQPEDESA-N 437.521 4.015 5 20 IIBD CN1CCN(c2ccccc2-c2noc(-c3cc([N+](=O)[O-])ccc3C(F)(F)F)n2)CC1 559951722 ZNPADTZBWXVGJM-UHFFFAOYSA-N 433.390 4.082 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCCCc2nccs2)c([N+](=O)[O-])c1 570124140 VMGWGUJBHDXUSO-UHFFFAOYSA-N 425.466 4.114 5 20 IIBD COc1cnc(N(C)C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)nc1 570229330 QYFHEEWBMLKNQY-UHFFFAOYSA-N 444.831 4.124 5 20 IIBD CC(C)CCSc1ccc(-c2nc(Cc3ccc(C(N)=O)cc3)no2)cc1[N+](=O)[O-] 576556749 PXVLERFKQGVFQO-UHFFFAOYSA-N 426.498 4.473 5 20 IIBD O=C(Nc1ccc(Oc2cccnc2)nc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 577304057 ZFRNAIPHNVWGHY-UHFFFAOYSA-N 435.440 4.252 5 20 IIBD C[C@@H](c1cccc([N+](=O)[O-])c1)c1nc(Cc2cc(Br)c3c(c2)OCCO3)no1 581751587 HJCHSBOABGVURE-NSHDSACASA-N 446.257 4.254 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)N(C(=O)Cc2ccccc2)CC3)c1 583136339 RILQTMMHARNUAP-UHFFFAOYSA-N 445.475 4.378 5 20 IIBD C[C@H](Nc1ncnc2ccc([N+](=O)[O-])cc12)c1ccc(Br)cc1OCCCO 589697053 KJBXWSGWSIZMPW-LBPRGKRZSA-N 447.289 4.235 5 20 IIBD COc1cc(C(=O)Nc2cc(Cl)cc(Br)c2OC)c([N+](=O)[O-])cc1OC 590768120 OEZRMURCWCPGJK-UHFFFAOYSA-N 445.653 4.289 5 20 IIBD CC(C)(C)c1ccc(Oc2ccc(CNC[C@@H]3CCS(=O)(=O)C3)cc2[N+](=O)[O-])cc1 603495862 NBQSTPDLBLPNIH-KRWDZBQOSA-N 432.542 4.209 5 20 IIBD O=C(NC[C@@H](CO)Cc1ccco1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 603551331 SPUGEJUWCZPIRS-AWEZNQCLSA-N 430.844 4.215 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1cc(C)c(OCC(F)(F)F)c(C)c1 604018198 HJLWBXPUTQSYQI-UHFFFAOYSA-N 426.391 4.434 5 20 IIBD O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 604198080 JMUBBAWBMFCEQJ-UHFFFAOYSA-N 438.871 4.169 5 20 IIBD COc1cccc2c1OCC[C@H]2NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 604571076 VQOVPADCFQYOGW-CQSZACIVSA-N 439.390 4.064 5 20 IIBD COc1cc([C@@H](C)N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCCC(C)C 609450940 CVOSVFRCMRYGLW-UTKZUKDTSA-N 441.528 4.484 5 20 IIBD Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 609838279 XKYRCYMWNUCBPI-GFCCVEGCSA-N 445.838 4.072 5 20 IIBD COC(=O)c1cc(NC(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)cc([N+](=O)[O-])c1 609838705 HLYSQIYVNJPRIA-UHFFFAOYSA-N 442.859 4.149 5 20 IIBD O=C(Nc1nc(CC(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)cs1)c1ccco1 609860162 NLZLTODBFABPKG-UHFFFAOYSA-N 440.481 4.415 5 20 IIBD COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 610159578 FRKNQAUZJSBSDR-ZDUSSCGKSA-N 432.860 4.080 5 20 IIBD CCOC(=O)c1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)s1 610894368 OJOUEEULAXKKCW-UHFFFAOYSA-N 430.467 4.027 5 20 IIBD CCOc1cc(NC(=O)NCc2ccc(C)nc2N2CCCC2)c([N+](=O)[O-])cc1OCC 611582490 AUQOARYSMCRZSZ-UHFFFAOYSA-N 443.504 4.018 5 20 IIBD COc1cccc([C@H](Nc2ncc([N+](=O)[O-])c(C)c2Br)c2nccn2C)c1 612439315 MYPVTJISEBTKFQ-INIZCTEOSA-N 432.278 4.004 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@H](Oc2cccc(F)c2)C1 618833000 ZKUFXSPWLMGUGD-KRWDZBQOSA-N 427.354 4.116 5 20 IIBD CCSc1ccc(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cn1 727800122 RRSKAAOLTNAXKL-GOSISDBHSA-N 443.525 4.344 5 20 IIBD CCOCCOc1ccc(Cl)cc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 728392330 HNOYHPSOSKJKHA-UHFFFAOYSA-N 448.907 4.018 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2cc(Br)c(F)cc2F)c(Cl)c1 728577277 UMLZVBZVTXBGLP-UHFFFAOYSA-N 428.594 4.057 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2ccccc2C(C)(C)C)cc1SC 728655128 BJBJTFDWGZSOAV-UHFFFAOYSA-N 432.498 4.418 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCC2CCN(C(=O)OC(C)(C)C)CC2)cc1SC 728768728 KQSJCXZHXXYACZ-UHFFFAOYSA-N 440.518 4.129 5 20 IIBD Cc1ccccc1-c1nc(C(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)cs1 729196367 ZMQBEPXAVHGIOH-UHFFFAOYSA-N 438.509 4.495 5 20 IIBD O=C(Cc1ccc(C(F)(F)F)cc1)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730702468 GGEGCYKFXQHNCD-MRXNPFEDSA-N 436.386 4.004 5 20 IIBD C[C@H](CSc1ccccc1)C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 732504790 DLJKRRGLGZSFPJ-IAGOWNOFSA-N 428.510 4.171 5 20 IIBD CCOC(=O)C1=C(C)N(CC(C)C)C(=O)N[C@H]1c1csc(-c2cccc([N+](=O)[O-])c2)n1 733122129 VFEZBJLGXPETMW-SFHVURJKSA-N 444.513 4.278 5 20 IIBD CCc1ccc(OC(=O)C[C@H](NC(C)=O)c2ccc(Br)cc2)c([N+](=O)[O-])c1 734739207 AEWFSBZREVDDAQ-INIZCTEOSA-N 435.274 4.093 5 20 IIBD CC(C)Oc1cccc([C@@H](O)CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 735121587 SGQPCXJYHJSYOV-DEOSSOPVSA-N 449.507 4.458 5 20 IIBD C[C@@H](OC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl 735149061 PMAVLUNRHARHPL-LLVKDONJSA-N 427.240 4.241 5 20 IIBD CC(C)Oc1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2I)cc1 735254167 WGBNMBYMPXPUOK-UHFFFAOYSA-N 427.194 4.206 5 20 IIBD CN(C)C(=O)c1cccc(OC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c1 736003244 VWHJUKSHPLMHFW-UHFFFAOYSA-N 449.250 4.008 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])OCCCc1cccc2ccccc12 736821682 WFDAZOHJLUJNQK-UHFFFAOYSA-N 426.856 4.307 5 20 IIBD COc1ccc([C@@H]2[C@H](COC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)CCN2C)cc1 741120132 AOYRLCLLNRJZSG-WMZHIEFXSA-N 439.512 4.053 5 20 IIBD COc1cc(/C=C2/N=C(c3c(Cl)cccc3[N+](=O)[O-])OC2=O)c(SC)cc1OC 741169505 TYXDZIKCPWBCBQ-KPKJPENVSA-N 434.857 4.332 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 741555387 DKSMGDSPUPTLBR-CQSZACIVSA-N 448.932 4.139 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1)[C@H]1CCOC1 741961255 CDOBGFXLKOFASB-RXVVDRJESA-N 437.540 4.209 5 20 IIBD CCOc1cccc(NC(=S)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 742979197 FNGYJZRDIIUDRW-UHFFFAOYSA-N 428.436 4.411 5 20 IIBD Cc1cc(C2=N/C(=C\c3cc(Cl)ccc3OC[C@@H]3CCCO3)C(=O)O2)ccc1[N+](=O)[O-] 743280766 IMWDERBZIOFCCJ-PBXDPIQXSA-N 442.855 4.459 5 20 IIBD Cc1nc2ccc(C(=O)N(Cc3nnc(-c4cccc([N+](=O)[O-])c4)o3)C(C)C)cc2nc1C 744001391 FMYBUMOUQMQTEK-UHFFFAOYSA-N 446.467 4.256 5 20 IIBD O=C(NCc1cc(Cl)ccc1OC(F)F)c1cc([N+](=O)[O-])ccc1N1CCCC1 744781019 KVHDTUYYOOQNPA-UHFFFAOYSA-N 425.819 4.380 5 20 IIBD Cc1cc(=O)c(C(=O)OCc2ccc(Cl)cc2[N+](=O)[O-])nn1-c1cccc(Cl)c1 745224393 NYPFAPPMTQYOGN-UHFFFAOYSA-N 434.235 4.113 5 20 IIBD O=C(COC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)Nc1cc([N+](=O)[O-])ccc1F 745346760 LFAGJPMBSIRYMP-UONOGXRCSA-N 427.215 4.326 5 20 IIBD C[C@H](CC(=O)c1ccccc1F)C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 745486702 KHNIAGQONDHCHI-CHWSQXEVSA-N 427.388 4.297 5 20 IIBD O=C(Nc1cc2c(cc1NC(=O)c1cc(F)ccc1[N+](=O)[O-])OCCO2)c1cccs1 746884107 PGORLWMCGMFWOE-UHFFFAOYSA-N 443.412 4.071 5 20 IIBD Cc1c(CC(=O)N(C)c2ccccc2C(=O)N(C)CCc2ccccc2)cccc1[N+](=O)[O-] 747869384 HTHPABSOYIQTMU-UHFFFAOYSA-N 445.519 4.423 5 20 IIBD O=C(Nc1ccc(-n2cncn2)c(Cl)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 749139559 ZHAWHVWZZTYLDV-UHFFFAOYSA-N 426.845 4.205 5 20 IIBD CN(CCOc1ccccc1F)C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 749411475 YPAFPZVWDRTJJB-UHFFFAOYSA-N 431.645 4.301 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c(C)c1 750616730 QZFQGKRBNLIPPW-CQSZACIVSA-N 432.318 4.359 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)cc1[N+](=O)[O-] 752416794 NXHMQPFEABMHIU-ZFMLPXDISA-N 444.451 4.025 5 20 IIBD C[C@H](OC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccccc1Br 755063658 NECZRQRUIWKCCL-MNOVXSKESA-N 439.237 4.170 5 20 IIBD Cc1nn(CCC(=O)OCc2coc(-c3ccc(C(F)(F)F)cc3)n2)c(C)c1[N+](=O)[O-] 756179231 UBFAXZZAZYACIZ-UHFFFAOYSA-N 438.362 4.215 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N(Cc1ccc(F)cc1)C1CCOCC1 759341875 NVYUCDXYNAZLET-UHFFFAOYSA-N 437.265 4.318 5 20 IIBD O=[N+]([O-])c1ccc(I)c(-c2nc(-c3cccc4[nH]ccc34)no2)c1 761663174 PASGXFITJHVKTM-UHFFFAOYSA-N 432.177 4.398 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@H](c2nc(-c3ccnc(OCc4ccccc4)c3)no2)C1 761681937 ODTNXWMGXTYPSJ-FQEVSTJZSA-N 443.419 4.485 5 20 IIBD O=[N+]([O-])c1ccc(OCc2nc(-c3cc(Cl)ccc3O[C@@H]3CCOC3)no2)cc1F 762303681 KZGJHNMMVXWACB-CYBMUJFWSA-N 435.795 4.184 5 20 IIBD CNc1c(C(=O)O[C@H](C)C(=O)N(c2nccs2)C2CCCCC2)cccc1[N+](=O)[O-] 765523445 WKWMWJMEYFBRFE-CYBMUJFWSA-N 432.502 4.004 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1[N+](=O)[O-] 767177003 GPNZTBHGUFKHMO-UHFFFAOYSA-N 440.268 4.139 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1CCC2(CC1)OCCO2 767297902 DACXALAABVBWNR-UHFFFAOYSA-N 434.901 4.379 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)Cc1cccc(OCc2cccnc2)c1 770622396 AWZXZQGVDGVDAV-UHFFFAOYSA-N 425.872 4.423 5 20 IIBD CCN1C(=S)N[C@@H](c2ccc([N+](=O)[O-])c(OC)c2)C(C(=O)Nc2ccccc2C)=C1C 770622459 DGGKEVOCALJXAE-FQEVSTJZSA-N 440.525 4.076 5 20 IIBD C[C@@H](OC(=O)c1cnc(Oc2ccccc2)cn1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 773682446 SFNFEEMURURMET-GFCCVEGCSA-N 442.815 4.015 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC(C(=O)C(F)(F)F)CC3)cc2[N+](=O)[O-])C1 775435879 ZKYRUCZVRAHCFH-KBPBESRZSA-N 441.450 4.061 5 20 IIBD C[C@H](NC(=O)CC1CCCCC1)C(=O)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776131914 BHBVIOIGUWSJMG-AOMKIAJQSA-N 425.485 4.098 5 20 IIBD Cc1nc(-c2cnn(C)c2)sc1C(=O)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776133557 NMVHTSNJVILVRT-SFHVURJKSA-N 435.465 4.102 5 20 IIBD CCc1nc(C(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])nn1-c1ccccc1F 776134301 AQKGFMQEMXLEFN-NRFANRHFSA-N 447.426 4.218 5 20 IIBD O=C(COC(=O)c1c(C(F)(F)F)ccnc1Cl)Nc1ccc([N+](=O)[O-])cc1Cl 776470013 WHORENHFHNHFKP-UHFFFAOYSA-N 438.145 4.111 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NC(=O)c1ccc(N)c([N+](=O)[O-])c1 779350198 BNLSGOVEOISRRY-GOSISDBHSA-N 426.473 4.331 5 20 IIBD C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781624141 IJDWZIXQBINBQJ-NSHDSACASA-N 426.256 4.490 5 20 IIBD COc1ccccc1[C@@H](OC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccn1 781826956 USOLREZSDWFPSX-JOCHJYFZSA-N 437.408 4.172 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CC(Cc2ccc(C(F)(F)F)cc2)C1 782006274 MXCHSEQMYWZAIP-UHFFFAOYSA-N 437.374 4.156 5 20 IIBD O=C(NCc1nccn1CCCc1ccccc1)c1cccc([N+](=O)[O-])c1Br 782172973 YHZZJMOJOAWMII-UHFFFAOYSA-N 443.301 4.117 5 20 IIBD COc1cc(C(=O)Oc2ccc(F)c3c2C(=O)C[C@H]3C)c([N+](=O)[O-])cc1OC(F)F 786819044 XTZWSOLRKWLZDR-MRVPVSSYSA-N 425.315 4.253 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)Nc1cccc(SC(F)F)c1 787587266 IUPSFMHGJDUUGL-UHFFFAOYSA-N 449.357 4.183 5 20 IIBD CN(Cc1cccc(F)c1)C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 787810417 XPOOWHZRTKCTNW-UHFFFAOYSA-N 429.189 4.002 5 20 IIBD COc1ccc([C@H](CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])N2CCCCC2)cc1 790471863 CWUKOBIVQCJXMK-NRFANRHFSA-N 449.910 4.282 5 20 IIBD C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790953257 YPJMMHFQUHHCQF-HUUCEWRRSA-N 433.911 4.203 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(CC(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 791444793 ZTKXIAJCKDGXQY-UHFFFAOYSA-N 431.401 4.136 5 20 IIBD CCc1c(NC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)cnn1-c1ccc(Cl)cc1 791579442 GLBSQOVHSOWKRR-UHFFFAOYSA-N 428.861 4.253 5 20 IIBD COc1cc(COC(=O)[C@@H](C)[C@@H]2OCCc3sccc32)c([N+](=O)[O-])cc1OC(F)F 796502136 BRMYLYRZRZOGKN-BTDLBPIBSA-N 443.424 4.260 5 20 IIBD CC(C)N(C(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(CC(=O)N(C)C)cc1 799448544 URHCFTRSDJUJFA-UHFFFAOYSA-N 448.317 4.043 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)c(C)c1[N+](=O)[O-] 800170125 MAVCFDPBDGROBS-QZTJIDSGSA-N 443.481 4.129 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(N2CCC(c3c[nH]c4ccc(F)cc34)CC2)c1[N+](=O)[O-] 808109828 HPKASYDOGWCBQQ-UHFFFAOYSA-N 428.420 4.308 5 20 IIBD O=C(Cc1ccc(O)cc1)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 808893156 VAQSFLSVLSHJIJ-OAQYLSRUSA-N 440.839 4.420 5 20 IIBD C[C@H](CO)N(C)Cc1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1 809745952 OKGQMRNOUPJMRQ-LLVKDONJSA-N 434.499 4.077 5 20 IIBD O=C(Nc1cc(F)cc(NC(=O)c2csc([N+](=O)[O-])c2)c1)c1csc([N+](=O)[O-])c1 813322997 RVJWCJXYCIBHSW-UHFFFAOYSA-N 436.402 4.270 5 20 IIBD O=C(CCC(=O)N1CCC(c2ccccc2)=N1)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F 815169617 GLFJWISZTDFUFS-UHFFFAOYSA-N 449.385 4.074 5 20 IIBD C[C@H](OC(=O)/C=C\c1ccc(O)cc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 847134659 ZEOYCCQWWHSCBE-SZNGSJQDSA-N 439.449 4.008 5 20 IIBD C[C@@H](OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(=O)Nc1cccc2ccccc12 849194162 CWDMSCFGFYQMEJ-OAHLLOKOSA-N 430.420 4.118 5 20 IIBD O=[N+]([O-])c1ccc(CNc2cc(N3CCOCC3)ccc2Br)c(Cl)c1 864012798 GGIBXFCOZWOYAN-UHFFFAOYSA-N 426.698 4.459 5 20 IIBD CC(C)[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@@H]1CCOc2ccccc21 877121060 XFGTXOAOTNYSSP-MJGOQNOKSA-N 432.860 4.070 5 20 IIBD NC(=O)c1ccc(COC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)c([N+](=O)[O-])c1 900285804 AYNMDUKJPGZCLO-UHFFFAOYSA-N 449.444 4.434 5 20 IIBD CCCN(Cc1ccccc1Br)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 915114548 AUECSPFXSJSOAC-UHFFFAOYSA-N 431.290 4.146 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CN(c1ccccc1OC)S(=O)(=O)c1ccc(F)cc1 915671749 WMBGENICIPQNFZ-UHFFFAOYSA-N 446.456 4.147 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3ccc(-n4ccnc4)cc3)cc2[N+](=O)[O-])C1 921148406 GLHFGBXOLOTQMK-HDICACEKSA-N 433.512 4.193 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CC[C@@H]4CCCC[C@H]4C3)n2C[C@H]2CCCCO2)c1 1116960576 WTIDPNUJISULNQ-HFSMHLIXSA-N 425.533 4.439 5 20 IIBD O=C(CSc1ccc(Br)cc1)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 1321667029 MBEYYOVAIDEMQX-UHFFFAOYSA-N 433.287 4.274 5 20 IIBD CCOc1ccc(O[C@@H](C)c2nnc([C@H](CC)Nc3c([N+](=O)[O-])c(C)nn3C)o2)cc1 1322341826 OPPVELBLLOJOBB-BBRMVZONSA-N 430.465 4.122 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN3CCN(Cc4ccccc4Cl)CC3)o2)c(Cl)c1 1322638122 MGLBLLXPQIFFSD-UHFFFAOYSA-N 448.310 4.269 5 20 IIBD CC(C)CO[C@@H](C)c1noc(CN(C)Cc2ccc([N+](=O)[O-])cc2Br)n1 1325785702 LECBOIXZXCTPPV-LBPRGKRZSA-N 427.299 4.106 5 20 IIBD O=C1C[C@H](Cc2ccc(NCc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)cc2)C(=O)N1 1340718047 VEBRWECPTBFOEB-AWEZNQCLSA-N 439.855 4.326 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)c2ccc(Br)cc2)c(Br)c1 1346153134 QXDVDHARWQCUDT-UHFFFAOYSA-N 435.093 4.094 5 20 IIBD COc1ccccc1[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1N)c1ccco1 1347527317 GQSHGSFEZBQVMG-GOSISDBHSA-N 446.257 4.061 5 20 IIBD COc1ccsc1C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1 1785750120 SKWYYGODRBRROC-UHFFFAOYSA-N 441.465 4.319 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1)c1cc2ncccc2[nH]1 1790838433 KDGJXZXNDBFISR-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD COc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])[nH]4)CCC3)cc2)c1C 1792077119 PDFDJMJZTYCXJD-UHFFFAOYSA-N 448.479 4.301 5 20 IIBD CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccc([N+](=O)[O-])o3)CC2)CCCC1 1824276489 SLLJOGGSXIKKHO-JCOOBLOPSA-N 443.544 4.401 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2)CC1 1829874068 XJFHCSXDCRHDFP-JOCHJYFZSA-N 439.487 4.281 5 20 IIBD CCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1831383857 DAXUQFTWOVCJHX-OAQYLSRUSA-N 429.561 4.193 5 20 IIBD COc1cc(C(=O)N2CC3(CCCN3C(=O)CC3CCC(C)(C)CC3)C2)ccc1[N+](=O)[O-] 1845258837 CPPGBCGVFREXNP-UHFFFAOYSA-N 443.544 4.027 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC12CN(C(=O)[C@H]1CC[C@H](C(C)C)CC1)C2 1845494159 RNDSCMMPHKEJAS-IYARVYRRSA-N 445.535 4.322 5 20 IIBD CCCn1c(SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])nnc1-c1ccncc1 9813443 AZYRZAJYQPNBMP-UHFFFAOYSA-N 432.893 4.043 5 20 IIBD Cc1ccc(Cl)c(OCC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c1 14377376 ZOSCWOAOMZZDOY-QGZVFWFLSA-N 434.876 4.135 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)C2(c3cccc(F)c3)CCCC2)c([N+](=O)[O-])c1 17017971 SOQXKDWTKGKWPS-CQSZACIVSA-N 430.432 4.125 5 20 IIBD Cc1nc(-c2ccccc2)sc1C(=O)O[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 17828498 JVLWRIOVVOFRIF-LBPRGKRZSA-N 429.429 4.350 5 20 IIBD Cn1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nc2cc3ccccc3cc2c1=O 22253600 SODAEIHKVFKAGA-UHFFFAOYSA-N 435.461 4.154 5 20 IIBD CCc1ccc(CCC(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 22424207 UGDSDRJGWOVWFJ-UHFFFAOYSA-N 445.522 4.018 5 20 IIBD O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccc(Br)c([N+](=O)[O-])c1 23660268 NZLYCZDDBWACRG-UHFFFAOYSA-N 448.254 4.462 5 20 IIBD O=C(COc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1)NCc1ccccc1F 24035055 ABTDWNIZSLZRSU-UHFFFAOYSA-N 448.406 4.203 5 20 IIBD COc1cc(C(=O)NCCCSc2ccc(F)cc2)c([N+](=O)[O-])cc1OC(F)F 24730854 CWLRUZMRFOXURW-UHFFFAOYSA-N 430.404 4.256 5 20 IIBD C[C@@H](Sc1nnc2n1CCCCC2)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 24833582 DQVYFZDCNLDYAR-GFCCVEGCSA-N 444.542 4.156 5 20 IIBD O=C(CSc1ncnc2sccc12)Nc1ccc([N+](=O)[O-])cc1Br 28382461 KWQDKFYVRWXPHX-UHFFFAOYSA-N 425.289 4.093 5 20 IIBD COC(=O)[C@@H](C)NC(=O)c1ccc(NC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 29067610 UAGCCGNUYLZCSE-MRXNPFEDSA-N 433.464 4.088 5 20 IIBD Cc1cccc(OCc2nnc(SCc3nc(-c4cccc([N+](=O)[O-])c4)no3)o2)c1 31836389 LENMMWJIJXUTAB-UHFFFAOYSA-N 425.426 4.208 5 20 IIBD CCCOc1ncccc1CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 63718978 ROXPGEZNKDVZQY-MRXNPFEDSA-N 435.484 4.277 5 20 IIBD COc1ccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1N1CCCC1=O 64909109 KXYSHLVUOYXECS-UHFFFAOYSA-N 438.465 4.106 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1cccc(CN2CCCC2)c1)c1ccccc1[N+](=O)[O-] 108965426 KVKWSBQFMBXIAA-OAQYLSRUSA-N 439.512 4.003 5 20 IIBD COc1cc(C(=O)Oc2ccc(Br)cc2F)c([N+](=O)[O-])cc1OC(F)F 115379486 VUQMZEIBMIINFR-UHFFFAOYSA-N 436.136 4.326 5 20 IIBD COc1ccc([C@@H](C)NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1Br 216747409 PVXKFQMLNOTWOS-LLVKDONJSA-N 433.262 4.267 5 20 IIBD Cc1ccccc1C1(CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CCOCC1 301231620 HXJMWRRYWBGIKI-UHFFFAOYSA-N 440.468 4.060 5 20 IIBD COc1ccc(NC(=O)Cn2cc(Nc3ccc([N+](=O)[O-])c(-c4ccccc4)n3)cn2)cc1 301881446 WBESMJUGRHOOJN-UHFFFAOYSA-N 444.451 4.244 5 20 IIBD O=C(c1cc(NCc2cc(Br)cc3c2OCC3)ccc1[N+](=O)[O-])N1CCCC1 302155632 DWIBCIBVAJRPEU-UHFFFAOYSA-N 446.301 4.140 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 426218408 DRCXIGXHDNBRNA-WMZOPIPTSA-N 441.381 4.472 5 20 IIBD C[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1nc(Cc2ccccc2)no1 427202312 BIRLUEQGTLCKRA-CYBMUJFWSA-N 435.465 4.183 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C(=O)O)[C@H](c2ccc(Cl)cc2)C1 427754486 RSEVVSVWFRMYQZ-DLBZAZTESA-N 434.901 4.301 5 20 IIBD Cc1cc([C@H]2CCCN2C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)ccc1Br 431137136 KBIPQEXJCZREKU-QGZVFWFLSA-N 435.322 4.233 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H](OCCCc2ccccc2)C1 431478135 PUYYIOMKRCIHLD-IBGZPJMESA-N 433.302 4.221 5 20 IIBD O=c1c(Cl)c(NC[C@H]2CCCN(c3ccccc3)C2)cnn1-c1ccc([N+](=O)[O-])cc1 432924085 JRNUYGPRMAQHSD-MRXNPFEDSA-N 439.903 4.123 5 20 IIBD COc1ccc(C[C@@H](NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c2ccc(OC)cc2)cc1 433711211 DATCOMZELNHWON-LJQANCHMSA-N 438.484 4.172 5 20 IIBD CCn1nccc1C1CCN(C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 434008669 PPXFCSVNVZKYNC-UHFFFAOYSA-N 442.463 4.328 5 20 IIBD COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c1 434405826 UWJKXCBEPSYJLY-UHFFFAOYSA-N 438.440 4.059 5 20 IIBD CC[C@H](C)NC(=O)c1ccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 437834984 GCAUZTJIRURVHC-INIZCTEOSA-N 440.500 4.198 5 20 IIBD CC[C@@](C)(O)CNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 440512086 AHOINWLQYIPVLY-MCZSENPKSA-N 425.510 4.412 5 20 IIBD C[C@H](c1ccc(Cl)cc1)N1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 441381853 SHCKOFDSMRZZPP-OAHLLOKOSA-N 427.892 4.177 5 20 IIBD Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 443882281 KMFAKXABUUZERX-MRXNPFEDSA-N 439.415 4.076 5 20 IIBD COc1cc(C(=O)N2C[C@@H](C)Oc3ccc(Cl)cc32)c([N+](=O)[O-])cc1OC(F)F 443974556 VPJSHZKDJUWCSQ-SECBINFHSA-N 428.775 4.286 5 20 IIBD CC(C)CN1CCCC[C@@H]1CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444252351 NEODSXKLCZJXQU-MRXNPFEDSA-N 427.495 4.200 5 20 IIBD CC(C)OC(=O)c1ccc(Cl)c(NC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 444904164 ZOAXWWOTVVKZGK-UHFFFAOYSA-N 431.836 4.011 5 20 IIBD COc1cc(/C=C\c2nc(-c3c([N+](=O)[O-])ncn3C)no2)cc(Cl)c1OCC(C)C 445570954 KCYIYVFRYJKKIC-WAYWQWQTSA-N 433.852 4.246 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc([C@H](C)SCC(=O)Nc3ccc(F)cc3)n2)c1 445579457 KQUYSGJONPNDNG-LBPRGKRZSA-N 446.460 4.149 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc([C@H]3CC(=O)N(c4cccc5ccccc45)C3)n2)c1 445579589 OXOOIYGLRPOVDM-KRWDZBQOSA-N 444.447 4.251 5 20 IIBD COc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c(OC)cc1Cl 445651737 DUGKKJHLWOOMON-UHFFFAOYSA-N 429.654 4.209 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc(-c2ccc(F)cc2F)nn1C 447650318 RIIZPKMMJALHOH-SNVBAGLBSA-N 436.802 4.333 5 20 IIBD CCN(Cc1nc(O)c2ccccc2n1)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] 447680596 RPWUKVIPSLCLHG-UHFFFAOYSA-N 443.332 4.319 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1nc(-c2cccc(Br)c2)no1 447916591 PGNHMFHXYDBWLH-UHFFFAOYSA-N 432.234 4.037 5 20 IIBD NC(=O)c1ccc(SCC(=O)Nc2ccc(-c3ccc(Cl)s3)cn2)c([N+](=O)[O-])c1 448514430 WYPAXCGWJJJSCJ-UHFFFAOYSA-N 448.913 4.201 5 20 IIBD Cc1cccn2cc(COc3ccccc3C(=O)NCCc3ccccc3[N+](=O)[O-])nc12 460507026 IZLRJCOMUOYLEP-UHFFFAOYSA-N 430.464 4.102 5 20 IIBD COCc1nc(CNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)cs1 460953487 FIPLANPBKHBKOG-UHFFFAOYSA-N 436.540 4.044 5 20 IIBD C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)CC1 461382728 CVMWWTILTPYMIR-AWEZNQCLSA-N 440.887 4.021 5 20 IIBD CC[C@H](c1ccccc1)c1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1C[C@H]1CCOC1 461560737 MLZQMJQEBFNPKX-DENIHFKCSA-N 449.555 4.444 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 463951932 CBKCSACNWHZGAT-UHFFFAOYSA-N 431.452 4.454 5 20 IIBD C[C@@H](c1nccs1)N1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 464343269 ZAOTZPGRSHBHSI-INIZCTEOSA-N 437.525 4.314 5 20 IIBD CCC(CC)(CNC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccccc1 464685043 UZIAKONQWYXTCJ-UHFFFAOYSA-N 439.541 4.362 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(F)c(F)cc1I 464720603 RHRDROQRRGMURG-UHFFFAOYSA-N 432.164 4.292 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CS(=O)(=O)Cc3ncc(Cl)cc3Cl)co2)cc1 467016924 XYNYRSOYKLPJAY-UHFFFAOYSA-N 428.253 4.067 5 20 IIBD C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCc1ccc([N+](=O)[O-])cc1Cl 468043870 YOIKSKKLOKZWQZ-CYBMUJFWSA-N 430.892 4.104 5 20 IIBD Cc1c(CC(=O)N(Cc2cccc(Br)c2)C2CCOCC2)cccc1[N+](=O)[O-] 468154204 CNBOUFODQJLSIS-UHFFFAOYSA-N 447.329 4.416 5 20 IIBD COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 470504691 XXONYEKVLGXWPL-HNNXBMFYSA-N 448.907 4.016 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cc(F)cc(NCC(F)(F)F)c2)cc([N+](=O)[O-])c1 473261272 UBMJLRKWFTUIHG-UHFFFAOYSA-N 429.326 4.137 5 20 IIBD CC(=O)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC12CCCCC2 475223949 KOESLRRRSJDHAB-UHFFFAOYSA-N 428.411 4.013 5 20 IIBD CCCCn1c(=O)c2ccccc2n2c(SCc3ccc([N+](=O)[O-])cc3F)nnc12 476498899 GBSSQUYPFBPQFM-UHFFFAOYSA-N 427.461 4.184 5 20 IIBD CCOc1cc(N2CCN(C(=O)[C@H]3CCCC[C@@H]3C(F)(F)F)CC2)ccc1[N+](=O)[O-] 477348990 HFZPOXBOJVEVHY-HOTGVXAUSA-N 429.439 4.011 5 20 IIBD O=[N+]([O-])c1cc(I)ccc1OCc1ccc(Oc2ccccc2)nn1 479159556 IXKNMVPBYFYHMU-UHFFFAOYSA-N 449.204 4.361 5 20 IIBD CCC[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 481948145 ZALOMYBBQHVNHE-SFHVURJKSA-N 438.509 4.184 5 20 IIBD CCCN(C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])[C@@H](C)C(=O)Nc1ccccc1 483530910 QROQQTQLERLDMD-AWEZNQCLSA-N 431.514 4.205 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C(=O)N1c1ccccc1 485736968 JXSNQPPVNJVDCZ-VGOFRKELSA-N 445.475 4.098 5 20 IIBD C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 487131872 VNQZTYDVKRFUBB-UZLBHIALSA-N 430.936 4.001 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 488244672 FDXQOMMXXYKAGC-AWEZNQCLSA-N 440.905 4.081 5 20 IIBD COCCN(C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)[C@@H]1CCC[C@@H]1C 489774016 CSASCJPWGVFHJB-CSODHUTKSA-N 426.517 4.440 5 20 IIBD Cn1cc(C(=O)NCC(C)(C)c2ccc(F)cc2Cl)c(-c2ccc([N+](=O)[O-])cc2)n1 497932904 YBOMEVXLLAICJF-UHFFFAOYSA-N 430.867 4.495 5 20 IIBD COc1cc(C(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)c([N+](=O)[O-])cc1OC 498042036 LDWCACNEAQOFEJ-CQSZACIVSA-N 449.301 4.079 5 20 IIBD Cc1ccc(NC(=O)COc2ccc(CCNC(=O)c3cc([N+](=O)[O-])ccc3C)cc2)cc1 501627415 KVMJXDQYLOPYRB-UHFFFAOYSA-N 447.491 4.202 5 20 IIBD COc1cc(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)c([N+](=O)[O-])cc1OC(F)F 502066623 LTDQVRHVPFHKJK-CQSZACIVSA-N 438.383 4.015 5 20 IIBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1csc(Cc2cccc(F)c2)n1 502546212 LLKCCUDCWWAQIC-UHFFFAOYSA-N 429.429 4.195 5 20 IIBD O=[N+]([O-])c1ccc(-c2cnn(Cc3nc(Cc4cccc(Br)c4)no3)c2)cc1 504549802 WWTBQYWDDFTCAN-UHFFFAOYSA-N 440.257 4.243 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 506580930 PPWRGBIGURIEAY-CQSZACIVSA-N 435.440 4.133 5 20 IIBD Cc1cccc(Oc2ccccc2NC(=O)C(=O)N(C)CCc2ccccc2[N+](=O)[O-])c1 506694869 FNLIIBJQQQIYDR-UHFFFAOYSA-N 433.464 4.335 5 20 IIBD COc1ccnc(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)c1 508052872 IIOPIGZJKOHMNZ-UHFFFAOYSA-N 443.843 4.383 5 20 IIBD COc1cc(CNc2nccn2Cc2ccccc2)c([N+](=O)[O-])cc1OCC(F)(F)F 508459700 WMTKORHDKJSJBD-UHFFFAOYSA-N 436.390 4.401 5 20 IIBD O=C(N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 509845111 VYFYWTVDCIONTC-IEBWSBKVSA-N 434.418 4.001 5 20 IIBD Cc1cccc(C(=O)N2CCCC2)c1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 510600629 OLVBYOKPHFQRIV-UHFFFAOYSA-N 446.301 4.462 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2c(ncn2-c2ccc(F)cc2)C1 511750303 GZVPRKPGMGIQFJ-UHFFFAOYSA-N 426.473 4.230 5 20 IIBD C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 512529796 WBBJGKJGOWSPLW-CALCHBBNSA-N 447.495 4.151 5 20 IIBD Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N(C)CCc3cccc([N+](=O)[O-])c3)c12 512932749 FYUXBUAVDOQNTP-UHFFFAOYSA-N 435.509 4.228 5 20 IIBD COc1ccc(CNC(=O)NCc2ccccc2CN2C[C@@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] 515454393 WNBTYXJMXMRJRP-HDICACEKSA-N 440.544 4.081 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCCN(c2ccccc2)CC1 515665527 QSHQAMPXOMZWEN-UHFFFAOYSA-N 439.459 4.445 5 20 IIBD CN1C(=O)C[C@H](c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)[C@@H]1c1ccc(Cl)c(Cl)c1 517055884 QIKUUKNSYBAUNF-GTNSWQLSSA-N 448.266 4.221 5 20 IIBD COc1ccc(CC(=O)NC[C@@H](C)Sc2ccc(Br)cc2)cc1[N+](=O)[O-] 520247386 GSZVJHJOMBWBSS-GFCCVEGCSA-N 439.331 4.205 5 20 IIBD COc1ccc(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)cc1[N+](=O)[O-] 520337720 AAIFLBWDWBHCRF-UHFFFAOYSA-N 435.259 4.137 5 20 IIBD CCCOc1ccc([C@@H](C)NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc1OC 521130537 GXULCSTYDVGYFM-OAHLLOKOSA-N 429.473 4.057 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)Nc1ccc(CCn2cc(Br)cn2)cc1 525232988 ZQONSEVFIGGUSE-UHFFFAOYSA-N 444.289 4.118 5 20 IIBD CCn1cc(S(=O)(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)c([N+](=O)[O-])n1 534497896 MFCYYVKMRLGSQG-UHFFFAOYSA-N 447.473 4.028 5 20 IIBD Cc1ncc(-c2ccccc2)cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 536318324 AOKXKQBVLRSEES-SFHVURJKSA-N 436.493 4.270 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1 538255007 YWPFMBNMGAWARN-LAUBAEHRSA-N 443.569 4.115 5 20 IIBD COc1cc(C(=O)N2CCN(C)[C@H](C)[C@H]2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 540014078 XUIWEJOSOYVZDA-ZIAGYGMSSA-N 433.892 4.214 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 540114168 JDBSGQZAEYKXQO-UHFFFAOYSA-N 443.332 4.489 5 20 IIBD O=C(CCc1ncc(-c2ccc(F)cc2F)o1)NCCc1ccc(Cl)cc1[N+](=O)[O-] 540893996 MJDGYNUKLMXHCC-UHFFFAOYSA-N 435.814 4.473 5 20 IIBD C[C@H](C(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1)c1ccc([N+](=O)[O-])cc1F 542639299 GGBJAQQSKXGDDM-GOEBONIOSA-N 429.496 4.409 5 20 IIBD COc1ccccc1-c1noc([C@H](C)N[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1 543546673 UYNAUNBGNVHLCE-QWHCGFSZSA-N 436.428 4.115 5 20 IIBD CCN([C@@H](c1cccnc1)c1ccc(F)c(C)c1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] 546068776 DOXKBDUSQVFBBE-JOCHJYFZSA-N 443.500 4.379 5 20 IIBD CCN1CCN(c2ccc(-c3noc([C@H](C)Sc4ccc([N+](=O)[O-])cc4)n3)cn2)CC1 547099065 VTBLLXXBPDDSOM-HNNXBMFYSA-N 440.529 4.035 5 20 IIBD COc1ccc(-c2nc(-c3ccc(N4CCCN(C)CC4)c(Cl)c3)no2)cc1[N+](=O)[O-] 547187844 WCUOESGUOQPVEZ-UHFFFAOYSA-N 443.891 4.116 5 20 IIBD CCC(=O)N1CCCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC1 547341077 IDJIMHKLADPSSO-UHFFFAOYSA-N 447.944 4.484 5 20 IIBD CCC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 552506310 CYKOOLQXSDJJGM-ZDUSSCGKSA-N 439.921 4.109 5 20 IIBD COc1cc(C(=O)Nc2cccc3cc(Br)cnc23)cc([N+](=O)[O-])c1OC 553154019 UFKHLUBXXSQBET-UHFFFAOYSA-N 432.230 4.175 5 20 IIBD COc1ccc(Br)cc1C(=O)CCC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] 553724784 BYNPMIJPLMWVNM-UHFFFAOYSA-N 449.301 4.380 5 20 IIBD O=C(c1ccccc1[N+](=O)[O-])N1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1 554680352 RDXMGSIOBYBDDS-UHFFFAOYSA-N 441.915 4.045 5 20 IIBD O=[N+]([O-])c1cc2c(N3CCC[C@@H](c4nc(-c5ccc(F)cc5)no4)C3)ncnc2s1 557570843 ULPJMEGDLPTKID-GFCCVEGCSA-N 426.433 4.173 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCN(Cc2ccccc2)C1 559553254 RTCKJSLEOJRRIF-KRWDZBQOSA-N 446.345 4.260 5 20 IIBD CC12CC3(C)CC(C)(C1)CC(C(=O)N1CCN(C(=O)c4ccccc4[N+](=O)[O-])CC1)(C2)C3 564046654 RDGNEYWEPLJKNG-UHFFFAOYSA-N 439.556 4.266 5 20 IIBD O=C(Nc1nc(C2CCOCC2)cs1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 567458208 UODAXWVXZXHPLT-UHFFFAOYSA-N 431.392 4.139 5 20 IIBD O=[N+]([O-])c1ccccc1Cc1noc([C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)n1 567647910 GBNXZPABUXVVQI-LJQANCHMSA-N 449.294 4.297 5 20 IIBD COc1cc(Cc2noc(-c3ccccc3OCc3c(C)noc3C)n2)ccc1[N+](=O)[O-] 578800018 PHHNLNHZVDBZAU-UHFFFAOYSA-N 436.424 4.428 5 20 IIBD C[C@H]1CS(=O)(=O)C[C@H]1NCc1ccc(Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 583255498 OKJLDIQUBLMJQP-HNAYVOBHSA-N 432.542 4.207 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1[C@H]1CCCO1 586833850 BTARLTFIUFMQQN-XZOQPEGZSA-N 446.507 4.160 5 20 IIBD Cc1c(C(=O)Nc2ccccc2O[C@@H](C)C(F)(F)F)nnn1-c1cccc([N+](=O)[O-])c1 589093890 MWOVAEXHKFBSBU-LBPRGKRZSA-N 435.362 4.066 5 20 IIBD Cc1nn(-c2ccc(C(=O)N3CCc4cc([N+](=O)[O-])ccc43)cc2)c(C)c1Br 603566414 NQLYHCDQDAKRMM-UHFFFAOYSA-N 441.285 4.363 5 20 IIBD Cc1ccccc1Nc1nc(CN2C(=O)N[C@](C)(c3cccc([N+](=O)[O-])c3)C2=O)cs1 603677473 UQDHTXIKBBDRAX-OAQYLSRUSA-N 437.481 4.071 5 20 IIBD O=C(c1ccccc1)C1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC1 603685474 WQQRTDUYVASPIB-UHFFFAOYSA-N 436.386 4.271 5 20 IIBD CCC(C)(C)NC(=O)c1ccc(NCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1Cl 604009356 DOUPNYLMXKQQPC-UHFFFAOYSA-N 448.907 4.226 5 20 IIBD COc1ccc(CNC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1[N+](=O)[O-] 604018426 FFUWANDOFFRKAE-UHFFFAOYSA-N 434.477 4.448 5 20 IIBD CCOCCCn1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])nc2ccccc21 609063055 UHNAJIIBKXOISK-CQSZACIVSA-N 446.891 4.431 5 20 IIBD C[C@@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 609420372 CEBKNRVSIRZWRG-ZDUSSCGKSA-N 439.331 4.347 5 20 IIBD COc1ccc(OCCSc2ncnc3c2cnn3-c2ccc(F)cc2)c([N+](=O)[O-])c1 610217381 AIEOOHSEQBWDTO-UHFFFAOYSA-N 441.444 4.043 5 20 IIBD O=C(c1ccc(OCc2cccnc2)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 610305574 AANYGPPNPZPRPK-UHFFFAOYSA-N 433.464 4.252 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CCCN(C[C@H]2CCCO2)CC1 612532734 PDABVRXSGZZSSI-HXUWFJFHSA-N 447.601 4.204 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 619467278 XQSOBGVJNPMVTM-UHFFFAOYSA-N 435.845 4.245 5 20 IIBD C[C@@H](OC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C(=O)Nc1nc(-c2ccccc2)cs1 725935099 DOTNOTXOIBJNQD-SNVBAGLBSA-N 433.392 4.181 5 20 IIBD Cn1c(S)nnc1Cc1csc(NC(=O)c2cc3ccccc3c3cccnc23)n1 728602153 ZDSRHBSUDHEFBS-UHFFFAOYSA-N 432.534 4.105 5 20 IIBD Cc1c(C(=O)N(C)CCc2ccc(Br)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 730187709 YODPMYHQIOUJKM-UHFFFAOYSA-N 436.262 4.197 5 20 IIBD CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)OCCOc1ccccc1[N+](=O)[O-])O[C@@H](C)C2 730654497 WOSZYDHQYRIECW-ZVZYQTTQSA-N 427.453 4.043 5 20 IIBD Cc1ccc(-n2nc(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)c3c2CCCC3)cc1 731086272 RYZKGVFOCVRTQJ-UHFFFAOYSA-N 449.463 4.191 5 20 IIBD Cc1c(C(=O)N[C@H](C)Cc2ccc(C(F)(F)F)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 732038404 MOWXLAPZPBTWRL-SNVBAGLBSA-N 425.363 4.500 5 20 IIBD O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 735992071 QDOTXNNLWNHETM-UHFFFAOYSA-N 440.174 4.387 5 20 IIBD Cc1csc(-c2cccc(C(=O)OCCNC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)n1 740541963 OAMWPCLLKOAORN-UHFFFAOYSA-N 445.884 4.267 5 20 IIBD COc1c([N+](=O)[O-])cc(NC[C@@H](C)Oc2cccc(C)c2)c([N+](=O)[O-])c1Br 742418554 VPVRZINCKSGWCK-LLVKDONJSA-N 440.250 4.462 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 742430177 IGENJNGMFILWJX-MGPUTAFESA-N 429.429 4.178 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 743266922 HOXCYCRVOUFWJD-AWEZNQCLSA-N 435.502 4.290 5 20 IIBD C[C@@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCCC2)cc1 745074853 WPAROQVCFXALEJ-MRXNPFEDSA-N 425.485 4.043 5 20 IIBD O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])C1CCN(C(=O)CCc2ccccc2)CC1 746064335 MMCJCOXSBBCZEA-UHFFFAOYSA-N 430.888 4.163 5 20 IIBD CC(C)[C@@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)N1CCC[C@@H](C)C1 747958301 XUYGCKQDQPZASY-RDTXWAMCSA-N 431.514 4.158 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)c1nc(C(C)C)n(-c2ccccc2Cl)n1 748417579 BYMRSPKAYNJEDR-UHFFFAOYSA-N 430.848 4.318 5 20 IIBD COc1ccc(-n2c(SC[C@H](O)c3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)cc1 749640253 RMWFEPHVSOYWDH-NRFANRHFSA-N 449.488 4.128 5 20 IIBD O=C(Nc1ccc(Br)cc1)C1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 749910695 WNYXUOFVEVIBAE-UHFFFAOYSA-N 436.281 4.347 5 20 IIBD O=C(OCc1coc(-c2c(F)cccc2F)n1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 751671549 LQHZZDKNIQTINM-UHFFFAOYSA-N 426.335 4.071 5 20 IIBD O=C(OCc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1)c1cc2c(nc1O)CCCC2=O 752216365 IZQKVQOOZLJAKY-UHFFFAOYSA-N 434.404 4.364 5 20 IIBD Cc1c(Br)cc(C(=O)O[C@H](C)c2nc(-c3cccnc3)no2)cc1[N+](=O)[O-] 753433376 QYQGNJVNUMBUES-SNVBAGLBSA-N 433.218 4.029 5 20 IIBD COc1cccc(NC(=O)[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2OC)c2ccccc2)c1 755671050 BPVTUTBFEYYWHL-OAQYLSRUSA-N 436.420 4.149 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 759132413 RUVBFBHOIHTDCI-QFIPXVFZSA-N 427.888 4.244 5 20 IIBD CC[C@H](OC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccc(Br)cc1 761048947 VSGUOGSIBXUOEX-KRWDZBQOSA-N 431.246 4.246 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)n1 762073155 XOHKGTMGWKIQBZ-UHFFFAOYSA-N 434.412 4.390 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCCC2)c(C)c1 762459859 XQMGSLYWPPRZJH-UHFFFAOYSA-N 443.525 4.411 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1SCCO)C(=O)Nc1ccc(C(C)(C)C)cc1 763742923 DRLHEEURFCWKHA-AWEZNQCLSA-N 446.525 4.161 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 764089183 XBEGRKBYABYVQB-LSDHHAIUSA-N 437.562 4.472 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 764395557 TVIWVZWKIXTLRA-NFBKMPQASA-N 434.496 4.289 5 20 IIBD Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)O[C@@H]2CCCN(C(C)C)C2=O)n1 764489852 VPEJBWUEKLDSER-OAHLLOKOSA-N 435.527 4.067 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2C[C@H](C)OC[C@@H]2c2ccccc2)c1=S 765047734 AHLIAGNETNLUHA-OXJNMPFZSA-N 439.541 4.429 5 20 IIBD O=[N+]([O-])c1cccc(Br)c1CN1CCC(c2nc(-c3ccccn3)no2)CC1 769209626 BTRPUJCIIFBTIR-UHFFFAOYSA-N 444.289 4.182 5 20 IIBD CSc1ccc(C(=O)Nc2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc1[N+](=O)[O-] 773407350 YJFIPNKHGLXYTI-UHFFFAOYSA-N 444.513 4.257 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)O[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O 776366941 VWBZRHPCDXWXQS-KRWDZBQOSA-N 436.386 4.270 5 20 IIBD COC(=O)N1CCC([C@@H](C)NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 776941270 XJMNPQIDRJFAAU-OAHLLOKOSA-N 442.472 4.376 5 20 IIBD O=C(c1cc(Cl)cc(Cl)n1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 777789690 DWQRJBCWVUXEJX-UHFFFAOYSA-N 449.216 4.278 5 20 IIBD O=C1OCCN1c1ccc(S(=O)(=O)Oc2ccc(C3CCCCC3)cc2)cc1[N+](=O)[O-] 777854326 CKGYXQKNEUCYFG-UHFFFAOYSA-N 446.481 4.367 5 20 IIBD O=C(N[C@@H]1CCCOc2c(F)cccc21)c1cc(F)cc([N+](=O)[O-])c1Br 778494509 VYIXGDTUXAMOTK-CYBMUJFWSA-N 427.201 4.279 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1nc(C)sc1-c1ccccc1 778857526 JWKYLLMAFURRJS-GFCCVEGCSA-N 441.465 4.219 5 20 IIBD C[C@H](OC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)c1nc2ccccc2n1C(F)F 781571760 LHIAJYYGWVYHDR-APPDUMDISA-N 430.367 4.137 5 20 IIBD CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 781640144 COJDXRMYTVBVNL-UHFFFAOYSA-N 448.863 4.208 5 20 IIBD CN(C)c1ccc(COC(=O)CCc2nnc(-c3cc4ccccc4o3)o2)cc1[N+](=O)[O-] 784501945 OYGUMHJUBAYPFW-UHFFFAOYSA-N 436.424 4.133 5 20 IIBD Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)N(C)C 785858175 QQKMLWHHJRALHJ-SGTLLEGYSA-N 438.297 4.226 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCSCc1ccnc(Cl)c1 786502213 KFTNGDAYVBIRLO-UHFFFAOYSA-N 444.738 4.377 5 20 IIBD CSc1cc(C(=O)COc2cc([N+](=O)[O-])ccc2Br)ccc1NC(C)=O 786746295 VFJHGBKAJSCNJG-UHFFFAOYSA-N 439.287 4.299 5 20 IIBD O=C(OCc1ccc(Cl)nc1C(F)(F)F)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 787643713 XILWCUDRJNDHIG-UHFFFAOYSA-N 426.738 4.205 5 20 IIBD Cc1cnc(COC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)c(C)c1[N+](=O)[O-] 789441107 CLZBVRJJSLIWOX-IBGZPJMESA-N 447.491 4.355 5 20 IIBD CN(Cc1ccco1)Cc1ccccc1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790556471 SBURTECFIKKZCG-UHFFFAOYSA-N 445.878 4.471 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 790565866 VHSYKNNKUYTZPL-LLVKDONJSA-N 434.777 4.009 5 20 IIBD O=C(c1cc(Br)cc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)c1)N1CCCC1 790618215 OQAWULHEVLDDTK-UHFFFAOYSA-N 449.330 4.402 5 20 IIBD COCC1(CNCc2cc(Cl)ccc2[N+](=O)[O-])CCN(C(=O)OC(C)(C)C)CC1 790652568 JVTLWUHSGQZIKQ-UHFFFAOYSA-N 427.929 4.002 5 20 IIBD O=C(c1ncsc1C(F)(F)F)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791234467 KFBJWGMAUXNPNL-UHFFFAOYSA-N 436.209 4.031 5 20 IIBD COCc1ncsc1C(=O)O[C@H](c1ccc(Br)cc1)C(C)(C)[N+](=O)[O-] 793203068 HAKUQEVVNNFIGA-CQSZACIVSA-N 429.292 4.005 5 20 IIBD Cc1nc(SC(F)F)sc1CC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 793558760 AWIPTRXKFAEVQN-AWEZNQCLSA-N 431.511 4.491 5 20 IIBD CCCc1[nH]nc(C(=O)OCc2ncc(-c3ccc(Br)cc3)o2)c1[N+](=O)[O-] 796261313 KXRSAWYXMJNANL-UHFFFAOYSA-N 435.234 4.045 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@@H](C)[C@H]3OCCc4sccc43)CC2)ccc1[N+](=O)[O-] 796906004 DCVNVISHJGWJEP-LHSJRXKWSA-N 446.525 4.127 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 799235345 WSRMCFLFLYGWPL-XIRDDKMYSA-N 448.520 4.151 5 20 IIBD Cc1nc(-c2ccc(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2)cs1 799518402 JUNCICWVPPXTCB-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD C[C@@H](OC(=O)C(C)(C)COCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 800290579 JQTVMWJGXNYXDU-CQSZACIVSA-N 434.876 4.361 5 20 IIBD C[C@@H](C(=O)NC[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1F 808468557 RISZVKINBNYUHD-BZUAXINKSA-N 437.512 4.285 5 20 IIBD CN1CCO[C@H]([C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)c2ccc(Cl)cc2)C1 809914393 DLEOCALHSUDGFW-WMZOPIPTSA-N 439.299 4.095 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)[C@@H](C)c2cccc(Br)c2)cccc1[N+](=O)[O-] 812609025 XKOIWXDQKACPRK-AAEUAGOBSA-N 435.274 4.340 5 20 IIBD CC[C@@H]1[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCN1C(=O)OC(C)(C)C 812910580 KBAGHEDDHIKAJW-GXTWGEPZSA-N 429.420 4.170 5 20 IIBD CCOc1ccc(-c2nc(COC(=O)c3cc([N+](=O)[O-])c(N(C)C)cc3F)co2)cc1 814482593 DQRJBNPOINBQOD-UHFFFAOYSA-N 429.404 4.211 5 20 IIBD O=C(c1cnc2c(F)ccc(F)c2c1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 816603543 KNMSTADYGNNIOS-UHFFFAOYSA-N 448.223 4.382 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NCc2cccc([N+](=O)[O-])c2C)c1 863996774 CLCMZJBPCHFXHD-UHFFFAOYSA-N 446.573 4.146 5 20 IIBD C[C@H]1CO[C@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 918587918 LCINDOQREUYVSA-RBUKOAKNSA-N 437.540 4.303 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)c1cc2c(F)cccc2[nH]1)c1cccc([N+](=O)[O-])c1 918633478 NWKNRGJJRLHWQS-MRXNPFEDSA-N 439.443 4.457 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)OCc3cccc(C(=O)N(C)C)c3)cc2[N+](=O)[O-])C1 918834664 PWRGJPDFULJHLI-IAGOWNOFSA-N 439.512 4.136 5 20 IIBD C[C@@H](Nc1ccc(C(=O)OCc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-])c1ccccn1 920329444 GEINTQIREYPMBU-OAHLLOKOSA-N 435.436 4.291 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2[nH]c3ccc(C)cc3c2Cl)c([N+](=O)[O-])c1 1317847110 ZCSICZDHTSTKSM-UHFFFAOYSA-N 431.832 4.232 5 20 IIBD O=C([C@H](c1ccc(Br)cc1)N1CCCC1)N1Cc2ccc([N+](=O)[O-])cc2C1 1319443572 MROXQSIHOZFCQM-IBGZPJMESA-N 430.302 4.037 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@@H]3CCCc4cnn(C(C)C)c43)cc2)c(C)c1[N+](=O)[O-] 1321180786 BUFMEJXUESNXLC-HXUWFJFHSA-N 436.516 4.041 5 20 IIBD O=C(COc1ccc2ccccc2c1Br)N1Cc2ccc([N+](=O)[O-])cc2C1 1323284376 UHTYCLIEBAOEQE-UHFFFAOYSA-N 427.254 4.432 5 20 IIBD Cc1cc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])o4)CCC3)cc2)ccn1 1786737243 HGPCCYVJXZUTQA-UHFFFAOYSA-N 448.479 4.272 5 20 IIBD CC(=O)CCC(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])CCC2)cc1 1787692875 CKYWOOVBBMGPPD-RIYZIHGNSA-N 435.480 4.111 5 20 IIBD Cc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)CC(C)(C)C)n[nH]2)cc1[N+](=O)[O-] 1816760265 AKECFRACPTYNJT-GOSISDBHSA-N 441.532 4.297 5 20 IIBD CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 1826392263 XVGLIRXMCRZYTQ-LJQANCHMSA-N 435.952 4.211 5 20 IIBD CC/C=C(\C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cc([N+](=O)[O-])ccc2F)CC1 1832518092 TXMBGKZVLXLKEQ-PIMOAMBUSA-N 445.535 4.252 5 20 IIBD O=C([C@@H]1CCC[C@H]2CCCC[C@@H]21)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)C1 1845314865 NYELZPQLFRZQQX-NZSAHSFTSA-N 443.519 4.157 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCCC12CN(C(=O)C1(F)CCCCC1)C2 1845739170 SUYJFFBUKAKWLN-UHFFFAOYSA-N 445.516 4.299 5 20 IIBD O=C(COC(=O)c1ccccc1NCc1ccco1)Nc1ccc([N+](=O)[O-])cc1Cl 9023054 SXXQXKXIZKVYIM-UHFFFAOYSA-N 429.816 4.249 5 20 IIBD CCOc1ccc(NC(=O)CSc2nc(Cc3ccccc3)c(C)[nH]2)c([N+](=O)[O-])c1 9946845 KSRJPADPERHHBN-UHFFFAOYSA-N 426.498 4.347 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCCc3ccc(C(F)(F)F)cc3)cc2)c(C)c1[N+](=O)[O-] 14940159 QQQBWESMISQKNQ-UHFFFAOYSA-N 446.429 4.448 5 20 IIBD O=C(COC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)Nc1ccc(N2CCCC2)cc1 16800311 YCTPGHPSRCTHGI-UHFFFAOYSA-N 425.466 4.205 5 20 IIBD Cc1ccc(-c2nc(CC(=O)O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)cs2)cc1 17205376 RMJBKFOEQXPBTF-AWEZNQCLSA-N 425.466 4.140 5 20 IIBD Cc1cc(OCC(=O)Nc2ccc(Br)cc2Br)ccc1[N+](=O)[O-] 21587435 PFNRELYWLZVNSL-UHFFFAOYSA-N 444.079 4.446 5 20 IIBD O=C(CN[C@@H](c1ccccc1)c1ccccn1)Nc1ccc([N+](=O)[O-])cc1Br 25415816 GZZJYEKDYCUSAW-FQEVSTJZSA-N 441.285 4.070 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)cccc1[N+](=O)[O-] 27004291 BXKYNHQOFMEQRC-AWEZNQCLSA-N 443.456 4.434 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)C(c1ccccc1)c1ccccc1 32435315 FIHSAQKHNYNMFP-INIZCTEOSA-N 426.494 4.102 5 20 IIBD O=[N+]([O-])c1cc(I)ccc1NCc1ccccc1Cn1cccn1 58194284 YIFVQSKGLXJDBV-UHFFFAOYSA-N 434.237 4.056 5 20 IIBD O=C(NCc1cc(Br)c2c(c1)OCO2)c1cc2cc([N+](=O)[O-])ccc2s1 63715605 UYJFBAVMSYGUKH-UHFFFAOYSA-N 435.255 4.231 5 20 IIBD O=C1CCCN1Cc1ccc(CNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1 71964502 XPDPIPRORXFCRO-UHFFFAOYSA-N 438.362 4.256 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)cc1OC 195623530 ZKXIOGDDJCWJFC-UHFFFAOYSA-N 436.468 4.454 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc(SCc2cn3ccccc3n2)cc1 195711596 WKXZFFJCHCJRLX-UHFFFAOYSA-N 448.504 4.473 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1ccc(NC(=O)c2ccncc2)cc1 301305297 XWVOAEQCELBQAQ-OAHLLOKOSA-N 445.479 4.307 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N[C@H]1CCCc2c1cnn2Cc1ccccc1 301364428 PNDZRCNRUGWOMG-IBGZPJMESA-N 433.468 4.286 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCc1ccc(N2CCc3ccccc3C2)nc1 301385313 WRHWBDKYKOTFEG-UHFFFAOYSA-N 445.479 4.121 5 20 IIBD O=[N+]([O-])c1cc(Br)cnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 301679509 IZKHADXKVSNJKM-MRXNPFEDSA-N 426.698 4.356 5 20 IIBD CCOc1cc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)c([N+](=O)[O-])cc1OC 303750464 LMZGXSSXJOBYGE-IEBWSBKVSA-N 441.528 4.127 5 20 IIBD CCOc1cc(NC(=O)N2C[C@H](C)O[C@H](c3ccccc3)C2)c([N+](=O)[O-])cc1OCC 409657972 DODNANYMZQAXAK-BTYIYWSLSA-N 429.473 4.386 5 20 IIBD COc1ccccc1[C@@H](NC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)c1ccco1 426980721 LYSYPPUCPURGAC-JOCHJYFZSA-N 442.493 4.344 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(Cc1ccc(F)cc1)C1CCOCC1 427736734 YORSIYRFSPLLMY-AWEZNQCLSA-N 436.867 4.362 5 20 IIBD CC(C)(C(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1F 430465108 OWSBYNGSQIDJBK-REWPJTCUSA-N 432.467 4.041 5 20 IIBD O=C(NCc1ccc(N2CCCCCC2)nc1)c1cc(Br)cc([N+](=O)[O-])c1 431655917 RKTSXHKZPAFGSW-UHFFFAOYSA-N 433.306 4.063 5 20 IIBD COc1ccccc1-c1noc(C2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC2)n1 432479369 PYFPTWPUIQBKGO-UHFFFAOYSA-N 448.435 4.419 5 20 IIBD CCOC(=O)c1cnc(/C(C)=C/c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)nc1O 432697647 SFCKJFOELWGHKW-FMIVXFBMSA-N 425.397 4.096 5 20 IIBD C[C@@H](c1nnc(SCc2nc3cc([N+](=O)[O-])ccc3o2)n1-c1ccc(F)cc1)N(C)C 434806374 YUOIUCRTUZXMKV-LBPRGKRZSA-N 442.476 4.371 5 20 IIBD O=C(c1cccc(Cl)c1Cl)N1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 434837108 RMNQDUSQLSPBFF-UHFFFAOYSA-N 435.267 4.001 5 20 IIBD COc1cccc(C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3F)cs2)c1[N+](=O)[O-] 435669173 IWTJRLCUHNJQDB-UHFFFAOYSA-N 430.417 4.077 5 20 IIBD O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 435934895 IDPKGKIFJADIKN-GOSISDBHSA-N 425.488 4.172 5 20 IIBD CCOC(=O)C[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccc(F)cc1 436310656 RWNXENYHEPWEQX-QFIPXVFZSA-N 432.451 4.245 5 20 IIBD CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 440537646 PVTSPOCAIXKODD-HKUYNNGSSA-N 445.947 4.386 5 20 IIBD CC(C)(C)OC(=O)[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccccc1 444231443 FDBBBGMDKOYYSZ-JOCHJYFZSA-N 428.488 4.494 5 20 IIBD C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 444254958 WGEBGDPMANKWJU-QGZVFWFLSA-N 426.520 4.032 5 20 IIBD CC[C@@H](Cc1ccccc1Br)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444630306 GJNJZADVEPCZCD-LBPRGKRZSA-N 431.290 4.119 5 20 IIBD Cc1cc(Cl)cc2cc(-c3noc(-c4cc([N+](=O)[O-])cc(S(C)(=O)=O)c4)n3)oc12 445727317 VWZMIWGNUYSUSD-UHFFFAOYSA-N 433.829 4.423 5 20 IIBD O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NC2CCN(c3nc4ccccc4s3)CC2)n1 447543589 SDWSYMANHAYMAC-WMZOPIPTSA-N 426.546 4.143 5 20 IIBD CN(CCCOCc1ccccc1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 461885905 PFCPKHQOECKOTR-UHFFFAOYSA-N 433.313 4.129 5 20 IIBD CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 464189032 WMXIKANCDOJNHP-IIBYNOLFSA-N 445.541 4.436 5 20 IIBD O=C(NC1CC1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 464569230 VYVMSAWMMBUNHM-GOSISDBHSA-N 445.928 4.283 5 20 IIBD O=C(NC[C@@H](c1cccs1)N1CCCC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465421326 GHFXZUNWKHBBAP-FQEVSTJZSA-N 444.557 4.046 5 20 IIBD CCc1c(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cnn1-c1ccccc1 468193032 TYXNWTWTDYDPSU-UHFFFAOYSA-N 432.383 4.205 5 20 IIBD C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C[C@@]2(CCO[C@@H]2C)O1 468526344 CFKAJRONGFEUOQ-XCGNWRKASA-N 434.558 4.286 5 20 IIBD O=C(NCCC(=O)N1CCCC[C@@H]1c1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 470207677 WNBGJPHBBDSYSB-LJQANCHMSA-N 449.429 4.487 5 20 IIBD Cc1ccc(-c2noc([C@H](C)NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)cc1F 472531110 QEIUBPFXTXQRJT-QWHCGFSZSA-N 430.461 4.450 5 20 IIBD O=C(NCC1(c2ccc(Cl)cc2Cl)CCC1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 472700874 PETBNYNTSQTDPD-UHFFFAOYSA-N 440.258 4.217 5 20 IIBD CN(C)CC1CCN(c2ccccc2NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 473266239 UVYKTFFSOPKWIX-UHFFFAOYSA-N 439.560 4.204 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1I 477045312 IFOLUGBWKVUBJH-UHFFFAOYSA-N 443.216 4.045 5 20 IIBD Cn1cc([C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c2ccc(F)cc2)cn1 479644252 PDSCDTSXZUDQFL-LJQANCHMSA-N 437.456 4.110 5 20 IIBD CCn1c(S[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)nnc1-c1ccc([N+](=O)[O-])cc1 481357642 HZJCOINSWCJQOA-LUXYFRNMSA-N 431.562 4.295 5 20 IIBD CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(OC)cc1 481685788 QHPKLVQKDQZXJE-UNMCSNQZSA-N 425.485 4.322 5 20 IIBD COc1cc(I)c(Cl)cc1CNCc1ccccc1[N+](=O)[O-] 481740597 MTEFCJBXYWKEHN-UHFFFAOYSA-N 432.645 4.151 5 20 IIBD Cc1nn(CCC(=O)Nc2ccc(-c3cccc(Br)c3)cn2)c(C)c1[N+](=O)[O-] 482512516 UTNHMEKKJBCNLJ-UHFFFAOYSA-N 444.289 4.261 5 20 IIBD CC(C)(C(N)=O)c1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1 485514927 JULPQEKCGVCOSC-UHFFFAOYSA-N 433.464 4.189 5 20 IIBD CCOC(=O)[C@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccccc1 485894219 ANKXBWCISPOVFB-JOCHJYFZSA-N 434.448 4.208 5 20 IIBD COc1ccc(/C=C\c2nc3ccc(Br)cn3c(=O)c2Cl)cc1[N+](=O)[O-] 486031649 ZNQWYXOBOUUVJN-DJWKRKHSSA-N 436.649 4.198 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC2CCOCC2)cc1 486136332 SDXUYUAFCJBISV-UHFFFAOYSA-N 431.514 4.177 5 20 IIBD O=C(NCCn1cc([N+](=O)[O-])cn1)c1oc2ccccc2c1COc1ccccc1Cl 491000838 JFXSVYQZUFJBSS-UHFFFAOYSA-N 440.843 4.200 5 20 IIBD COc1cc(CN2CCC[C@@H]2c2nc3ccccc3n2C)c([N+](=O)[O-])cc1OCC(F)F 491116045 TUYSWRNBIZENES-QGZVFWFLSA-N 446.454 4.471 5 20 IIBD COc1c(S(=O)(=O)N(C)[C@@H](C)c2ccccc2)cc(Br)c(C)c1[N+](=O)[O-] 491592598 XCZGRPUNISHVAE-LBPRGKRZSA-N 443.319 4.056 5 20 IIBD CS(=O)(=O)c1cccc([C@H](NCCc2ccccc2[N+](=O)[O-])c2ccc(F)c(F)c2)c1 493277466 QZOSOULDGGTSKJ-QFIPXVFZSA-N 446.475 4.198 5 20 IIBD CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CSc1ccccc1[N+](=O)[O-] 497515920 GGVCGJJQUUIXAE-UHFFFAOYSA-N 441.431 4.193 5 20 IIBD Cc1ccc(NC(=O)c2cccc(Oc3cccc(S(C)(=O)=O)c3[N+](=O)[O-])c2)cc1 497531661 GTFPIHJWJJIMNA-UHFFFAOYSA-N 426.450 4.351 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)c1coc(-c2ccc(Br)cc2F)n1 497797605 BZCKKYGKXYHPJG-UHFFFAOYSA-N 436.193 4.412 5 20 IIBD CCOc1cc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])cc1OCC 504882938 QSBVXYDHDFKXSX-GOSISDBHSA-N 442.516 4.178 5 20 IIBD COc1ccccc1SC[C@H](C)CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 505073210 FFXCWZOPTBJWMZ-MRXNPFEDSA-N 429.542 4.362 5 20 IIBD COc1ccc(OC)c(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 506138494 SWHSKQCOFRFBFO-HNNXBMFYSA-N 436.468 4.110 5 20 IIBD COCCOc1cccc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 507420551 BETALIBGEBAZNR-MRXNPFEDSA-N 436.468 4.440 5 20 IIBD COc1cc(C(=O)NCCc2nccnc2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 511847063 OVYZRXKHDREULF-UHFFFAOYSA-N 442.859 4.120 5 20 IIBD C[C@@H](NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1ccc(OCC(F)(F)F)cc1 512079054 WRGNBSPGBOXFSQ-CQSZACIVSA-N 425.407 4.481 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@H](c1ccc(Cl)cc1)c1ccsc1 512256851 CHHRMIRBTSPEMW-HXUWFJFHSA-N 443.912 4.335 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2OC2CCCC2)cc1[N+](=O)[O-] 513824838 RGGGZWAVNKUHNT-UHFFFAOYSA-N 438.889 4.225 5 20 IIBD O=C(Nc1cccc(C(=O)N2CCCc3c2cccc3[N+](=O)[O-])c1)[C@H]1Cc2ccccc2O1 513840469 CGTZSZQHNUWTPA-HSZRJFAPSA-N 443.459 4.130 5 20 IIBD CC(C)N(C)Cc1cccc(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 517685497 OULWZWIWPITDNC-UHFFFAOYSA-N 439.434 4.306 5 20 IIBD CCCCN(CCOC)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 518832159 VINVXSFPODWCGZ-UHFFFAOYSA-N 431.455 4.105 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 521172419 QOPMTKNYXSGEIE-CQSZACIVSA-N 428.489 4.336 5 20 IIBD CCOc1cc(CN[C@@H]2CCC[C@H](C)[C@@H]2C)ccc1OCCn1c([N+](=O)[O-])cnc1C 521805084 SWGKGYBSFBNYLE-ABSDTBQOSA-N 430.549 4.492 5 20 IIBD CC(=O)N(CCC(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1)Cc1ccccc1 523184087 IPIKXHVXDNYJAX-UHFFFAOYSA-N 438.509 4.404 5 20 IIBD CCC[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 524644253 CUTBJVIULSDDBN-GGAORHGYSA-N 437.540 4.426 5 20 IIBD CCn1cnnc1-c1ccccc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 524706911 PVGMVZZSQRJOQX-UHFFFAOYSA-N 434.500 4.362 5 20 IIBD COc1ccc2[nH]cc(C3=CCN(C(=O)c4cc(OC)c(OC)c([N+](=O)[O-])c4)CC3)c2c1 525576856 BDCNGWIWNUBEQH-UHFFFAOYSA-N 437.452 4.031 5 20 IIBD CCN([C@@H](C)c1cccc(OC)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 533328647 XRIVAOIHFYFXJW-LBPRGKRZSA-N 432.420 4.394 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CCO[C@H](c3cccc(OC(F)F)c3)C2)cc1[N+](=O)[O-] 533917202 GEAVDZDDYOODQS-KUHUBIRLSA-N 435.427 4.349 5 20 IIBD O=C(Nc1ccc2ncsc2c1)c1cc(I)cc([N+](=O)[O-])c1 534286505 SZVHDHADMUKULJ-UHFFFAOYSA-N 425.207 4.061 5 20 IIBD Cc1ccccc1-c1cnc(CS(=O)(=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)o1 534796962 FWRBHACLZMLZJJ-UHFFFAOYSA-N 439.449 4.328 5 20 IIBD CCOC(=O)c1ccc(NC(=O)CSCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 535509168 WOZUPZIOBSMWTR-UHFFFAOYSA-N 441.465 4.298 5 20 IIBD O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1c[nH]c2cccc([N+](=O)[O-])c12 536514495 UTRLZOSQEREVJK-FQEVSTJZSA-N 428.448 4.056 5 20 IIBD CN(Cc1cc(Br)cs1)C(=O)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 537046975 XFFGJHZTVFBRBK-UHFFFAOYSA-N 443.710 4.081 5 20 IIBD O=C(N[C@H]1CCCOc2cc(F)ccc21)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 537485556 DKTXZEYPPYFAOO-HNNXBMFYSA-N 428.338 4.319 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNc3nnc([C@@H]4CCCO4)o3)o2)c(Br)c1 539693490 BBTBBYDZSISOGB-HNNXBMFYSA-N 435.234 4.464 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC3(CCN(Cc4ccccc4)C3)CC2)c1 540620552 DCCCANRGUHWGNC-UHFFFAOYSA-N 437.540 4.187 5 20 IIBD COc1cc(/C=C\c2nc(Cc3ccc([N+](=O)[O-])c(OC)c3)no2)ccc1OC(F)F 546488559 SEGOBZWRTMKCOH-YVMONPNESA-N 433.367 4.358 5 20 IIBD C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)CCOc1ccccc1[N+](=O)[O-] 552837838 ZQXVWXTWMAFZCU-AUUYWEPGSA-N 438.402 4.371 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(S(=O)(=O)CC)ccc1O 553953210 OYMFZADGGKJGNK-UHFFFAOYSA-N 438.527 4.239 5 20 IIBD Cc1ccccc1-c1nnc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1Cc1cccs1 555439094 CSHFIUFIBVXRDR-UHFFFAOYSA-N 449.540 4.310 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@](F)(c2cc(F)cc(F)c2)C1 557187560 HROHAVACBZNNMI-QGZVFWFLSA-N 429.192 4.346 5 20 IIBD O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 558494251 IBQFQPJQKBYGSJ-UHFFFAOYSA-N 447.373 4.226 5 20 IIBD CC(C)(C)c1nnc2sc(SCc3cc([N+](=O)[O-])ccc3C(F)(F)F)nn2c1=O 558808978 ZGAFDWIJDNIIKG-UHFFFAOYSA-N 445.448 4.063 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC(F)(c2cccnc2)CC1 560131113 BIRIDWLJVJYWFK-UHFFFAOYSA-N 440.397 4.298 5 20 IIBD Cc1ccc(Cl)cc1N1CC[C@@H](CN[C@H](c2cccc([N+](=O)[O-])c2)c2nccn2C)C1 563691225 CVPUDZXCZCFZLJ-HTAPYJJXSA-N 439.947 4.496 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1ccc(Oc2cccnc2)cc1 569287020 OXRSNXAVSMMTLA-INIZCTEOSA-N 436.468 4.470 5 20 IIBD C[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 573277808 GEGDOHOLLMSRFI-HNNXBMFYSA-N 425.466 4.138 5 20 IIBD COc1ccc(-c2nsc(NC(=O)c3sc(Br)cc3[N+](=O)[O-])n2)cc1 576972597 BHVFCARAJHPBJS-UHFFFAOYSA-N 441.288 4.198 5 20 IIBD COc1cc(-c2noc(-c3cc(OC)c(C)c([N+](=O)[O-])c3)n2)ccc1OC[C@@H]1CCCO1 577101506 IOVKBMWTSZXDPR-INIZCTEOSA-N 441.440 4.195 5 20 IIBD O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 578290374 AKNWHEBFCPKMND-PMACEKPBSA-N 446.866 4.241 5 20 IIBD O=C(NCc1ccccc1Oc1cccc(F)c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 580268854 NUEPOHWMAATZTK-UHFFFAOYSA-N 439.447 4.269 5 20 IIBD COc1cnc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c(Br)c1 581095895 DTRFMGDKYXDAFT-UHFFFAOYSA-N 445.067 4.084 5 20 IIBD O=[N+]([O-])c1ccc(NC2CCN(Cc3ccc(Cl)cc3)CC2)c(F)c1N1CCOCC1 582511545 KFOPIUYXQNMOFD-UHFFFAOYSA-N 448.926 4.300 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@@H](NC(N)=O)c1cccc(Oc2ccccc2)c1 603569174 WVUUFEXNVDRPPU-OAQYLSRUSA-N 448.479 4.145 5 20 IIBD COc1cc([C@@H](C)Nc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])ccc1OC(C)C 603627855 KGPXIXNWYKMYAF-MRXNPFEDSA-N 443.500 4.036 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c(Br)c1 608900614 NAESLLCAWYPFSW-VIFPVBQESA-N 429.654 4.425 5 20 IIBD CCC[C@@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2sccc2C1 608901430 WBXBEVCXDRFHHV-RDTXWAMCSA-N 447.582 4.007 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CCC[C@H](c3ccccc3)CC2)cc1[N+](=O)[O-] 608968011 LPTJIYSINWJALQ-KRWDZBQOSA-N 437.525 4.284 5 20 IIBD O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(Sc2nncs2)c(Cl)c1 609107905 BSGUIWSYELEFJN-UHFFFAOYSA-N 428.904 4.052 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(Cc1ccc2c(c1)OCO2)c1ccccc1 609233332 DZIAVPVEFJMBLE-UHFFFAOYSA-N 426.450 4.027 5 20 IIBD C[C@H](Oc1ccccc1NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1ccccc1 609652289 KEDRTVOBYWEUMK-HNNXBMFYSA-N 440.477 4.391 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H](C(C)(C)C)CC1 609702558 FUQNPYHAKYJBQM-MJGOQNOKSA-N 435.590 4.121 5 20 IIBD CCOc1c(Cl)cc(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 609723668 SCONULIBLLJPHS-UHFFFAOYSA-N 443.283 4.394 5 20 IIBD COc1ccc(CSCC(=O)N(c2cccc(F)c2)C2CCOCC2)cc1[N+](=O)[O-] 610110650 BRYKFZODIBXBSZ-UHFFFAOYSA-N 434.489 4.188 5 20 IIBD COc1cc(CCNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1C 610154862 NIJYTFONQSEUNY-UHFFFAOYSA-N 425.407 4.092 5 20 IIBD CCC[C@@H](CCc1ccccc1)NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 610180849 SFNOWCIKJVTINN-SFHVURJKSA-N 439.541 4.406 5 20 IIBD CC[C@@H](CO)NC(=O)Cc1ccc(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1 610911275 YLXXXVQUSSENBZ-KRWDZBQOSA-N 439.537 4.365 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(SCc2ccccc2)cn1 619507472 ZNMZMHPHUVCMHY-UHFFFAOYSA-N 431.495 4.092 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCN[C@H](c3ccccc3Cl)C2)cc1[N+](=O)[O-] 619777854 DFAFEWRNNOLEMJ-INIZCTEOSA-N 438.709 4.106 5 20 IIBD Cc1cccc([C@@H](CNC(=O)c2cc3ccccc3c3cccnc23)N2CCOCC2)c1 643177198 KOAUKPPONCVIIR-RUZDIDTESA-N 425.532 4.500 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1Cc2ccccc2-c2ccccc2C1 726174287 QUPIZBOZOKFMBE-UHFFFAOYSA-N 429.476 4.254 5 20 IIBD O=C(CSc1nnc(-c2cccs2)n1C1CC1)OCc1cc(F)ccc1[N+](=O)[O-] 728469661 ASXZVBKSTGUGBE-UHFFFAOYSA-N 434.474 4.224 5 20 IIBD O=C(Cc1coc(-c2ccc(Cl)cc2)n1)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 729778281 BWAQROUEGDWZTK-UHFFFAOYSA-N 440.799 4.239 5 20 IIBD CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)OCc1c(F)cccc1[N+](=O)[O-] 730630847 LESGNNLQHWFTCD-CYBMUJFWSA-N 441.502 4.142 5 20 IIBD COc1ccc(CSCC(=O)Nc2cccc(SC(=O)N(C)C)c2)cc1[N+](=O)[O-] 731417001 DFPUCULTCCUWIB-UHFFFAOYSA-N 435.527 4.249 5 20 IIBD CC(C)(C)OC(=O)NCCc1ccc(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 731987702 UVLOTQVCIKKXKD-UHFFFAOYSA-N 433.892 4.245 5 20 IIBD C[C@@H](CC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)c1ccccc1 732861534 XYWVGQLISLATJR-LBPRGKRZSA-N 438.358 4.004 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 735307928 OTVHOVFAYMYQNU-UHFFFAOYSA-N 438.396 4.355 5 20 IIBD COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 741238640 ICRRPUGPJIAHOZ-ZDUSSCGKSA-N 433.848 4.260 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 741990836 ODUHDMQXJRLSAJ-MPGHIAIKSA-N 437.562 4.275 5 20 IIBD O=C(OCc1cccc([N+](=O)[O-])c1)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 744360096 PGHMWEQYXHQUHP-GOSISDBHSA-N 425.268 4.018 5 20 IIBD CCC[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(C)cs1 744500602 QOHDWBYEOKBXGM-DGCLKSJQSA-N 437.543 4.361 5 20 IIBD C[C@H](Oc1cccc(Cl)c1Cl)C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 744740911 MXONMUXMYKNZAA-MNOVXSKESA-N 427.240 4.239 5 20 IIBD C[C@H](OC(=O)[C@@H](C)c1ccc(Br)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1 745640229 SETGCBDMVXWYQG-UWVGGRQHSA-N 427.276 4.093 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)cc1SC 746266232 YSLWOKSSIVOZLL-QAPCUYQASA-N 434.489 4.193 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCc1ccc(Oc2cccnc2)c(F)c1 746719553 HZVXGERIVQSDOJ-UHFFFAOYSA-N 442.359 4.228 5 20 IIBD CC(C)(C)c1ncsc1C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 747056141 JQBVXSSKGFLKRR-UHFFFAOYSA-N 431.392 4.163 5 20 IIBD Cc1sc(NC(=O)[C@@H](C)NC(=O)OCc2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 747301169 FYXMJXHDDBUTLH-CYBMUJFWSA-N 440.481 4.280 5 20 IIBD C[C@H]1Cc2ccccc2N1C1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 747805260 YSKNNOJSRYDEKJ-SFHVURJKSA-N 434.540 4.251 5 20 IIBD COc1ccc(NC(=O)COc2ccc(Cc3ccccc3)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 748636732 XFWPXKHBMGOZNC-UHFFFAOYSA-N 437.408 4.120 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])O[C@H](c1ccccc1)c1nc(-c2ccccc2)no1 749056514 ACHUDPCVZQYGTF-OAQYLSRUSA-N 431.404 4.356 5 20 IIBD O=C(NC1CC1)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)ccc1Cl 751095600 RPYZGXNZFSREST-UHFFFAOYSA-N 438.665 4.155 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CCC(c3cccc(F)c3)CC2)ccc1[N+](=O)[O-] 752405600 PEUDICUCNYMIDP-JOCHJYFZSA-N 439.487 4.053 5 20 IIBD Cc1cc(F)cc(C(=O)O[C@@H](C)C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1[N+](=O)[O-] 752558626 WCFUNKSPJAOKDZ-ZDUSSCGKSA-N 430.432 4.455 5 20 IIBD C[C@H](OC(=O)c1c(F)ccc([N+](=O)[O-])c1F)C(=O)Nc1ccc(N2CCCCC2)cc1 752559222 MPKRZRGZIQHJSK-ZDUSSCGKSA-N 433.411 4.047 5 20 IIBD CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1C(C)C 753504001 OECUDUXXZRDUIR-GFCCVEGCSA-N 435.864 4.395 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 754435453 UKJGTVGDLHYDCZ-UHFFFAOYSA-N 429.429 4.274 5 20 IIBD COc1ccc(C(C)(C)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1 754995299 YKTYDPVUNZFJRX-UHFFFAOYSA-N 425.254 4.213 5 20 IIBD CCN1CCC(N(c2ccccc2)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 755105358 FGSKRZAWVXLPSF-UHFFFAOYSA-N 437.949 4.236 5 20 IIBD Cc1ccc(-n2nc(Br)cc2C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)cc1 755145222 FVLRECMRJJAGGM-UHFFFAOYSA-N 437.200 4.382 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1ccc(Br)cc1[N+](=O)[O-] 755911708 XHIJIJADLFASII-UHFFFAOYSA-N 426.248 4.305 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 756966898 IUABXXHGBIMURO-QGZVFWFLSA-N 428.247 4.324 5 20 IIBD C[C@@H](OC(=O)c1ccc(F)cc1[N+](=O)[O-])C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 758113870 JLGGKPYXDOXEHV-NXEZZACHSA-N 429.231 4.463 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 758620005 PLXYVYKAFXPXSO-QAPCUYQASA-N 442.896 4.237 5 20 IIBD CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 759105799 BQLJNWVJNWGRSC-QFIPXVFZSA-N 432.521 4.064 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H](c2noc(CCCNc3ccc([N+](=O)[O-])cc3)n2)C1 761877886 HDCAKUQYXJTZFE-HNNXBMFYSA-N 431.493 4.137 5 20 IIBD CC(C)(C(=O)N1C[C@H](CCN2CCCC2=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1F 762455768 DRHURTGKTNPBLZ-INIZCTEOSA-N 439.487 4.154 5 20 IIBD O=Cc1ccc(OCC(=O)Nc2ccc(CC[C@H](O)c3ccccc3)cc2)c([N+](=O)[O-])c1 763001789 MCSFEJNCWWHXMQ-QFIPXVFZSA-N 434.448 4.091 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 764194371 VYWQYDUXYSKFGU-NRFANRHFSA-N 448.516 4.058 5 20 IIBD CC(C)(C)OC(=O)N1CC(CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 764322981 LZWMRSUVFADAFU-UHFFFAOYSA-N 435.546 4.226 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCO[C@@H](c2ccccc2Br)C1 765748273 KJXPHXKLGQSXOQ-GOSISDBHSA-N 442.269 4.119 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)c1ccc(OS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 767599387 VRXOWCYSLNEBJH-LBPRGKRZSA-N 440.449 4.087 5 20 IIBD COC(=O)c1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)c(Cl)cc1Cl 768866990 WKPABJWQQJMUIX-UHFFFAOYSA-N 439.660 4.142 5 20 IIBD COC(=O)c1cccc(NC2CCN(C(=O)Nc3ccc([N+](=O)[O-])c(Cl)c3)CC2)c1 770010364 SSZZITWXFLBDCH-UHFFFAOYSA-N 432.864 4.143 5 20 IIBD CCNc1ncc(C(=O)O[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)s1 770091986 BUCZWTCRWHMWON-SFHVURJKSA-N 440.481 4.328 5 20 IIBD COC(=O)Nc1ccc(NCc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])cc1 770491846 LVUHZNMYXCAATR-UHFFFAOYSA-N 429.351 4.335 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)/C=C\c1ccc2ccccc2n1)c1ccccc1[N+](=O)[O-] 771581748 LURIJCZLCJTSKF-DZFTYQQFSA-N 433.464 4.355 5 20 IIBD O=C(O[C@H]1CCN(c2cccc(Cl)c2)C1=O)c1sc(Br)cc1[N+](=O)[O-] 773600426 SRLVMIJNNDEWKU-NSHDSACASA-N 445.678 4.035 5 20 IIBD Cc1cc(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)c(C)c(C)c1O 774823600 JJXURLOZUHSGRB-UHFFFAOYSA-N 426.210 4.083 5 20 IIBD C[C@H]1Sc2ccc(C(=O)O[C@H](c3cccnc3)c3ccccc3[N+](=O)[O-])cc2NC1=O 776137258 YYLNIOGFUHSKAU-ZUOKHONESA-N 435.461 4.369 5 20 IIBD COc1cc(C(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c32)c([N+](=O)[O-])cc1OC 776404720 QKEZJEUJJVBKPQ-UHFFFAOYSA-N 443.456 4.162 5 20 IIBD CSc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-] 777073467 HZSXRNWZVQDCAO-JTQLQIEISA-N 444.387 4.399 5 20 IIBD O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1cc([N+](=O)[O-])c2nsnc2c1 778230684 CRMMNCCJTBHVEO-UHFFFAOYSA-N 432.311 4.055 5 20 IIBD O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 778231658 GMFQDTRFBYTJTN-UHFFFAOYSA-N 447.419 4.126 5 20 IIBD COc1cc(CNCc2ccc(Br)cc2F)c([N+](=O)[O-])cc1OCC(F)F 779085434 MVVHUJILRSOIDJ-UHFFFAOYSA-N 449.223 4.439 5 20 IIBD Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 782261309 NBMUYRNPLDSBAQ-UHFFFAOYSA-N 449.341 4.373 5 20 IIBD COC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)OC(=O)c1cc([N+](=O)[O-])ccc1Cl 783097711 YKTTVGXWNSDSGT-HNNXBMFYSA-N 431.750 4.208 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC(CCCn3ccnc3)CC2)CC1 783644489 HFMXMMIWZLUMHG-UHFFFAOYSA-N 439.560 4.360 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC(COc2ccc(Cl)nc2)CC1 790093892 JCYCATULTGRWKG-UHFFFAOYSA-N 432.908 4.153 5 20 IIBD CC[C@@H](NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)c1c(C)noc1C 790797194 PLMBHQFYQFCURQ-OAHLLOKOSA-N 437.294 4.181 5 20 IIBD O=C(c1ncoc1-c1ccccc1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791246751 ZDRAFDNKIDXHNE-UHFFFAOYSA-N 428.242 4.211 5 20 IIBD Cn1ncc(I)c1C(=O)OCc1nc2ccccc2c2ccccc12 796605507 YRJYFASVEVPBLH-UHFFFAOYSA-N 443.244 4.083 5 20 IIBD Cc1cc(NC(=O)c2cccnc2)ccc1OC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 799469459 PUKKCZVMHJOHBB-UHFFFAOYSA-N 443.818 4.491 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)OCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 800979193 VACJNKIGYOSHJQ-UHFFFAOYSA-N 445.415 4.299 5 20 IIBD CS(=O)(=O)c1cc(COC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc(C(F)(F)F)c1 800979804 ZBFKHJHZUQNOEB-UHFFFAOYSA-N 437.779 4.028 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@H]1CCc2cc(Cl)ccc21 803256147 FUAZMBUKCBUMCD-OALUTQOASA-N 448.928 4.330 5 20 IIBD C[C@H](OC(=O)[C@H](C)Cn1ccc2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 803794152 NYWDLYATIXVJGU-KGLIPLIRSA-N 429.860 4.409 5 20 IIBD CCN(C(=O)Cc1noc(-c2cc([N+](=O)[O-])ccc2N2CCCCC2)n1)c1ccccc1 809486147 NAFMLGKZZSQBBV-UHFFFAOYSA-N 435.484 4.231 5 20 IIBD CC[C@H]1[C@@H](c2nc(CCNc3ccccc3[N+](=O)[O-])no2)CCN1C(=O)OC(C)(C)C 810289366 UYOXXUSQNHELKR-HOCLYGCPSA-N 431.493 4.135 5 20 IIBD CCOc1cc(Br)c(F)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C 813305826 ICUZYGIFRFGLMV-UHFFFAOYSA-N 426.242 4.213 5 20 IIBD O=C(Nc1cc(Cl)cnc1Br)C1CCN(c2ccccc2[N+](=O)[O-])CC1 813372033 SOJMMSTXASIXBQ-UHFFFAOYSA-N 439.697 4.261 5 20 IIBD CC(C)Oc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)N(C)C)cc1 813680530 DJIGMCUTABRHKX-QHCPKHFHSA-N 440.544 4.015 5 20 IIBD Cc1cccc(C(=O)N2CCC[C@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)c1[N+](=O)[O-] 814426924 BIYBAHPKJAWTMC-ZWKOTPCHSA-N 431.533 4.403 5 20 IIBD Cc1ccc(C(=O)N2CCC[C@@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1[N+](=O)[O-] 814432138 OYFVJJVRVYQNNE-MOPGFXCFSA-N 431.533 4.403 5 20 IIBD COc1ccc(OC(=O)C2CCN(c3noc4ccc(Cl)cc34)CC2)c([N+](=O)[O-])c1 815912010 VZZCVOCPDGISLV-UHFFFAOYSA-N 431.832 4.220 5 20 IIBD O=[N+]([O-])c1ccc(-n2ccc(-c3nc(-c4ccccc4Br)no3)n2)c(F)c1 904963203 UCBZJJSQSKXDHI-UHFFFAOYSA-N 430.193 4.399 5 20 IIBD O=C(Nc1ccc(-c2cnc(C3CC3)o2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 914526940 CRGYKOSTEUOMAZ-UHFFFAOYSA-N 434.452 4.216 5 20 IIBD C[C@H](OC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)c1cccc([N+](=O)[O-])c1 914636336 POEGRGXZIRPUNX-JSGCOSHPSA-N 433.258 4.015 5 20 IIBD O=C(Cc1csc(-c2cccs2)n1)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 914798344 XKIHJFXMKBMLQL-UHFFFAOYSA-N 428.451 4.116 5 20 IIBD CCc1cccc(CC)c1NC(=O)[C@@H](C)OC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 915469334 AOQWCVIZTCMZKU-OAHLLOKOSA-N 436.468 4.089 5 20 IIBD COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)ccc1NC(C)=O 916087918 PBRPLJRWTQUPQE-UHFFFAOYSA-N 426.473 4.050 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1[N+](=O)[O-] 916189818 FXBKSJLPDKAHGW-SNVBAGLBSA-N 449.337 4.196 5 20 IIBD COc1cc(CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)ccc1OCC(F)(F)F 917079549 FDNSQDOCISNNFE-UHFFFAOYSA-N 439.390 4.049 5 20 IIBD O=C(OCc1nnc(-c2ccc(Br)s2)o1)c1cc2cccc([N+](=O)[O-])c2[nH]1 917330579 BBDPHGUGVFLWOK-UHFFFAOYSA-N 449.242 4.307 5 20 IIBD CC1=C(C(=O)N(C)C)[C@H](c2csc([N+](=O)[O-])c2)NC(=S)N1c1cc(C)ccc1C 917377608 DYQBOPURERJGJX-SFHVURJKSA-N 430.555 4.071 5 20 IIBD CC[C@@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1OCC(=O)N1CCCC1 917742918 KINGKWYUOBGRBN-GOSISDBHSA-N 445.903 4.131 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cc1[N+](=O)[O-] 917779996 SADKRILTQLYFMD-ZDUSSCGKSA-N 426.429 4.078 5 20 IIBD Cc1ccc2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(Br)c3)sc2c1 917845196 MDCZONNTEHNMQD-UHFFFAOYSA-N 428.289 4.076 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1cccc(C(=O)NCc2ccco2)c1 917959935 DVDGQQUBDVWKPM-HNNXBMFYSA-N 440.477 4.342 5 20 IIBD COc1ccc(OC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1 919678887 HIGQXQALBKNQOY-CYBMUJFWSA-N 438.396 4.299 5 20 IIBD O=C(NC[C@H](O)c1ccccc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1N1CCCCC1 921078129 BAMYEHIMIUMPQO-IBGZPJMESA-N 437.418 4.067 5 20 IIBD COCCOc1c(Cl)cccc1N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 921198177 YRMOBOPBDHRRPM-LLVKDONJSA-N 428.272 4.366 5 20 IIBD COc1cccc(Cc2cnc(NC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)s2)c1 921278628 XXOLQZDWJOSDFT-UHFFFAOYSA-N 435.465 4.089 5 20 IIBD COc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c2ccc(OC)cc2OC)cc1 1318670653 LJFRKZLKEMUFNX-HSZRJFAPSA-N 436.464 4.448 5 20 IIBD Cc1cccc([C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2N)c2ccccn2)c1 1321777497 DWXBADJKGDQBEN-IBGZPJMESA-N 441.285 4.162 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1-c1nnc(-c2cccc([N+](=O)[O-])c2)o1 1328070107 KRTNUYPUHAYTSB-HNNXBMFYSA-N 442.497 4.183 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccccc4F)CCC3)cc2)ncc1[N+](=O)[O-] 1788766901 MNDZESUTGGFCCR-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1ccc(C2(NC(=O)CC3CC3)CCC2)cc1 1791184242 RVQAZUDMDDAYKV-UHFFFAOYSA-N 425.460 4.211 5 20 IIBD Cc1ccc(-c2cc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3ccc([N+](=O)[O-])o3)C4)c[nH]2)cc1 1794586784 KRWZDZMPDVFXOR-REPLKXPHSA-N 448.479 4.057 5 20 IIBD Cc1cccc(Cl)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C2 1800491551 LEZGCBCRONALSW-BJWYYQGGSA-N 445.878 4.261 5 20 IIBD CC1(C(=O)N2CCCC3(CCN(C(=O)/C=C/c4ccc([N+](=O)[O-])o4)CC3)C2)CCCC1 1804983164 NPULHBOWOHCESG-FNORWQNLSA-N 429.517 4.013 5 20 IIBD Cc1ccc(CC(=O)N2CCC3(CCCN(C(=O)c4cccs4)C3)CC2)cc1[N+](=O)[O-] 1808073294 WPYCIPLCGDIRKR-UHFFFAOYSA-N 441.553 4.052 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])[nH]n1)c1ccccc1 1820403439 AFMHWQBCQUFFOF-SFHVURJKSA-N 437.431 4.077 5 20 IIBD CC(C)/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1824841920 DUSNXCTTYKSQPS-NMXNWIABSA-N 441.572 4.359 5 20 IIBD Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)C3=CCCC3)CC2)cc1[N+](=O)[O-] 1830363356 XHKZYMVKIATAJO-QFIPXVFZSA-N 439.556 4.176 5 20 IIBD Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C(C)C)CC2)cc1[N+](=O)[O-] 1830364144 LBMLVPUAFSAUCI-HWWNHIDJSA-N 441.572 4.278 5 20 IIBD C[C@H](OC(=O)CCNc1ccccc1[N+](=O)[O-])C(=O)N(c1nccs1)C1CCCCC1 11366733 IFNQLYOVYCSKNG-HNNXBMFYSA-N 446.529 4.151 5 20 IIBD Cc1c(C(=O)OCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)cccc1[N+](=O)[O-] 11397762 XGIYLWHZGSGVKO-UHFFFAOYSA-N 436.468 4.182 5 20 IIBD COC(=O)c1cc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc([N+](=O)[O-])c1 15697408 CWQMMDRRNJAZEZ-ZDUSSCGKSA-N 425.466 4.011 5 20 IIBD C[C@@H](OC(=O)c1ccc(Br)cc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 18612091 WASFIOICGMXNPQ-MRVPVSSYSA-N 445.628 4.334 5 20 IIBD CCOc1cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)c([N+](=O)[O-])cc1OC 19472805 ZOTRFTZCSORENL-UHFFFAOYSA-N 443.239 4.104 5 20 IIBD CN(C)C(=O)c1cccc(NC(=O)COC(=O)c2c3ccccc3cc3ccccc23)c1 22787316 YWHTUQABSVOSOA-UHFFFAOYSA-N 426.472 4.490 5 20 IIBD O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 22983189 AYAZQTVJUSHSGO-UHFFFAOYSA-N 443.687 4.086 5 20 IIBD O=C(NC1CC1)c1cc(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nc2ccccc12 23107370 MGWOGNBGPIMHFT-UHFFFAOYSA-N 447.476 4.378 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(Br)s2)cc1OC 24396799 PCAAFACNFXMGDX-UHFFFAOYSA-N 429.292 4.098 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2ccc(NC(C)=O)cc2)cc1 30710289 YZXAWXREYFXFOG-UHFFFAOYSA-N 435.436 4.284 5 20 IIBD Cn1c(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)nnc1-c1ccc(Cl)cc1 31838466 MJAGYKQJEGJHSV-UHFFFAOYSA-N 428.861 4.386 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 36245563 YOMGDQZTUZTNER-UHFFFAOYSA-N 448.445 4.176 5 20 IIBD CCN(CC)CCN(C(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(Br)c1 60548227 PPOVKFIJAYGZKX-UHFFFAOYSA-N 434.334 4.275 5 20 IIBD Cc1cc(N2CCN(C(=O)CCC3CCCCC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 60860787 TUNUFHYNXFZPQN-UHFFFAOYSA-N 437.544 4.369 5 20 IIBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(Oc2cccc(Cl)c2)cc1 61634311 NNPLBTQYAJUORQ-UHFFFAOYSA-N 425.828 4.409 5 20 IIBD CN(Cc1ccccc1CNC(=O)CCOc1ccccc1[N+](=O)[O-])C1CCCCC1 62281323 IMXLTFYOZCQHES-UHFFFAOYSA-N 425.529 4.445 5 20 IIBD O=C(Nc1ccccc1)c1ccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1 63950369 AVERQHOGZLHCMN-UHFFFAOYSA-N 427.420 4.285 5 20 IIBD CNC(=O)c1ccc(Sc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)c([N+](=O)[O-])c1 64905513 AAXWLPYYGJZBOO-KRWDZBQOSA-N 438.509 4.148 5 20 IIBD O=C(NCCNc1nc2ccccc2s1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 65099808 FNOGPJJTIHSOLY-UHFFFAOYSA-N 425.495 4.170 5 20 IIBD Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3F)cc2)cc1 68927378 FKAJWYPRGIFORC-UHFFFAOYSA-N 443.456 4.120 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 104737250 HKHCPOIPRYMCNB-UHFFFAOYSA-N 443.456 4.024 5 20 IIBD C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 195708857 UBOADOXJHIFGRP-HOTGVXAUSA-N 435.484 4.375 5 20 IIBD O=[N+]([O-])c1ccccc1/C=C/CNC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 237902995 WJBRKVJKJHEMOR-LAEWNIMASA-N 435.446 4.290 5 20 IIBD C[C@@H]1CCCN(C(=O)C2CCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])CC2)C1 301074342 IMTSRQCKELHAMH-GOSISDBHSA-N 435.524 4.301 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 301157936 QUZABIXSXLQHCZ-OAHLLOKOSA-N 433.289 4.378 5 20 IIBD CS(=O)(=O)c1ccc(N2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)c([N+](=O)[O-])c1 301541905 CPXUMQZZRDGBJT-ZDUSSCGKSA-N 445.324 4.353 5 20 IIBD O=C(Cc1cccs1)Nc1ccccc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 409990866 DSGADBMBGLFDGR-UHFFFAOYSA-N 447.476 4.276 5 20 IIBD C[C@@H](COc1cccc(F)c1)NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 410087361 IBBCANCDKFUQGQ-HOTGVXAUSA-N 438.459 4.499 5 20 IIBD O=C(O)[C@@H](CNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)Oc1ccc(F)cc1 426628241 KXHJYSWSBFOIKB-OAQYLSRUSA-N 444.390 4.287 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC(c3noc4cc(F)ccc34)CC2)c1 426779779 LFBBTPCQXBKSAL-UHFFFAOYSA-N 427.432 4.359 5 20 IIBD COC(=O)c1cccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c1Br 427186436 MTSVUTFWPFYYLC-UHFFFAOYSA-N 439.237 4.199 5 20 IIBD Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)n2)c1 428361667 KPNYVKFNOFBZGK-CYBMUJFWSA-N 426.502 4.075 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1)c1n[nH]c2ccc([N+](=O)[O-])cc12 428881302 KXHCXHNNJDQKLF-AWEZNQCLSA-N 430.848 4.325 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CN[C@H](C)c1nc(-c2ccc(Br)cc2)no1 430221270 RDMZMMHPDYESKB-LLVKDONJSA-N 433.262 4.267 5 20 IIBD Cc1c(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cccc1S(=O)(=O)NC(C)(C)C 431208181 BBQSBRHMGKJGHZ-UHFFFAOYSA-N 448.545 4.037 5 20 IIBD COc1cc(NC(=O)COc2c(Br)cccc2[N+](=O)[O-])c(OC)cc1Cl 431216834 FSWSFCZNCASTDZ-UHFFFAOYSA-N 445.653 4.045 5 20 IIBD O=C(NCc1ccn(-c2ccccc2)n1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436084385 YBOLXOYGUFPSIU-UHFFFAOYSA-N 430.414 4.075 5 20 IIBD CN(C(=O)c1ccc(NCc2cc([N+](=O)[O-])ccc2OC(F)F)cc1)C1CCOCC1 437262130 JDMPQKZKYWMCHG-UHFFFAOYSA-N 435.427 4.059 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1 438424625 HIMDZXPJOSAHRK-KSSFIOAISA-N 447.417 4.206 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] 439244162 GQIRNXLGHSJRRT-MRXNPFEDSA-N 425.304 4.192 5 20 IIBD O=C(NC1(c2noc([C@@H]3CCOC3)n2)CCCCCC1)c1cc2cc([N+](=O)[O-])ccc2o1 439931671 VWAQKLXVUWGBLF-CQSZACIVSA-N 440.456 4.207 5 20 IIBD CCNC(=O)c1cccc(CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])c1 440729687 IDYGFICJRATILC-UHFFFAOYSA-N 435.505 4.426 5 20 IIBD CC(=O)c1ccc(OCC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccco2)c([N+](=O)[O-])c1 440872716 RIEVHKANWASFIG-HXUWFJFHSA-N 447.447 4.456 5 20 IIBD C[C@@H](c1ccc(Cl)cc1)N1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 444170638 NGGXHMVHZISQKR-HNNXBMFYSA-N 427.892 4.177 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cccc(NC(=O)C2CCCCC2)c1 444919687 JQNMMTHXOIHSKR-UHFFFAOYSA-N 426.473 4.444 5 20 IIBD NC(=O)c1ccc(SCc2nc(-c3ccc(Cl)cc3Cl)no2)c([N+](=O)[O-])c1 445463744 KMADPROCZZCKRW-UHFFFAOYSA-N 425.253 4.343 5 20 IIBD COc1ccc(NC(=O)CN[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 445997389 XEHKOOGYYRWNFM-SJORKVTESA-N 437.418 4.487 5 20 IIBD COc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c(Br)c1 446153941 MTXOGSIMDWWVOT-UHFFFAOYSA-N 444.079 4.310 5 20 IIBD O=C(Nc1ccc(OCc2noc(C3CC3)n2)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 447058915 JCQXFNLAVCXJIJ-UHFFFAOYSA-N 435.440 4.024 5 20 IIBD COCCN(C(=O)c1sc(Br)cc1[N+](=O)[O-])c1nc2ccccc2s1 447315344 QIVOLTZZAIUXAX-UHFFFAOYSA-N 442.316 4.322 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCn2c(cc3ccc(Cl)cc32)C1 447392210 HHFGTICPTPAZRL-CYBMUJFWSA-N 428.876 4.054 5 20 IIBD Cc1c(NC(=O)NCc2nc(-c3cccc(Br)c3)no2)cccc1[N+](=O)[O-] 447910896 GMQUWGWSCIFMCD-UHFFFAOYSA-N 432.234 4.037 5 20 IIBD C[C@H](c1ccncc1)N(C)C(=O)c1cc(C(=O)N(C)[C@H](C)c2ccncc2)cc([N+](=O)[O-])c1 460670780 JNCOXSSIWAKENN-IAGOWNOFSA-N 447.495 4.051 5 20 IIBD CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 462944764 KRFNCRZCEWWHHC-GFCCVEGCSA-N 439.381 4.214 5 20 IIBD Cc1nc2ccccc2c2c(NC(=O)c3cn(C4CCOCC4)nn3)c3ccccc3n12 463157903 UGZQPROUVKNINQ-UHFFFAOYSA-N 426.480 4.144 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)cc([N+](=O)[O-])c1 463926434 MXRFJQZOJMJDIJ-UHFFFAOYSA-N 435.314 4.308 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cc(F)cc(F)c2Br)cc([N+](=O)[O-])c1 468274910 RWNDOMPOKPENSI-UHFFFAOYSA-N 429.173 4.065 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCCC[C@H]1/C=C/c1ccccc1 469363906 QGUWBRFAXLWDGA-DXRVJIQQSA-N 444.509 4.028 5 20 IIBD O=C(Nc1cc(Cl)ccc1N1CCSCC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 470340862 RRLHIHJVIIGFLW-UHFFFAOYSA-N 448.932 4.097 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3ccc(F)c(C(F)(F)F)c3)CC2)ccc1[N+](=O)[O-] 477367769 SMJNZTCICIQUME-UHFFFAOYSA-N 441.381 4.114 5 20 IIBD COc1cc(CN[C@H]2CCN(Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F 481192542 SRTLSDNSYMSONQ-APWZRJJASA-N 449.498 4.248 5 20 IIBD O=C(NCc1ccc(OCCSc2ccc(Cl)cc2)cc1)c1n[nH]cc1[N+](=O)[O-] 485188983 DYHLTSFDZUUAEP-UHFFFAOYSA-N 432.889 4.072 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)c1 485809793 AYJXWUGPAPUHKC-ZDUSSCGKSA-N 436.331 4.088 5 20 IIBD Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)Cn1cc([N+](=O)[O-])c(=O)c2ccccc21 487886609 WZQHMXXFBQXOLF-UHFFFAOYSA-N 435.524 4.183 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)c([N+](=O)[O-])cc1OC 489328074 ZDUGQTQNMJPRIE-UHFFFAOYSA-N 443.500 4.119 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(CNC(C)=O)cc2)cc1 497993066 IRQUPTTVOSJNKN-UHFFFAOYSA-N 435.436 4.284 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(C(=O)Nc2ccccn2)c1 505811945 KRVJKKXYVIDMAX-CYBMUJFWSA-N 440.843 4.302 5 20 IIBD Cc1c(NC(=O)c2ccc(=O)n(CCOc3ccccc3Cl)c2)cccc1[N+](=O)[O-] 508154825 OCOYRETVXDELDW-UHFFFAOYSA-N 427.844 4.050 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCc3cccc(OCC(C)C)c3)cc2)c(C)c1[N+](=O)[O-] 510173841 BXLSDVRTKDKSAD-UHFFFAOYSA-N 436.512 4.421 5 20 IIBD Cc1c(Br)cc(C(=O)N(C)C2CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-] 510444407 PNTYEVNDKBULED-UHFFFAOYSA-N 446.345 4.402 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1 511571427 GUCMXVYLEXFGGQ-OAHLLOKOSA-N 439.802 4.152 5 20 IIBD CC(C)n1ncc2c(C(=O)N(C)CCc3cccc([N+](=O)[O-])c3)cc(-c3ccco3)nc21 512965722 CYSAZPXAZNXRJC-UHFFFAOYSA-N 433.468 4.495 5 20 IIBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccc(Br)cc1Cl 515602066 OTDCSRKMXOYWMX-UHFFFAOYSA-N 427.638 4.424 5 20 IIBD Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 515681497 AEEALLWVLZBZJU-OAHLLOKOSA-N 428.448 4.093 5 20 IIBD Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 515788276 XNWDJMHGQPSRJV-UHFFFAOYSA-N 442.472 4.198 5 20 IIBD CC(C)C[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccs1 518184334 BJFRAIIPUNCVDF-CYBMUJFWSA-N 427.429 4.100 5 20 IIBD O=C(Nc1ccc(OCc2ccccn2)c(Cl)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 520098647 GVBAZLZKLFYIOL-UHFFFAOYSA-N 427.800 4.203 5 20 IIBD COc1cccc(Oc2ccc(NC(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)cc2)c1 521841661 YVZMRXJRAMZADD-UHFFFAOYSA-N 431.408 4.229 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1 521966158 OROHWYJWVVNBKU-UHFFFAOYSA-N 448.366 4.089 5 20 IIBD CCCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)C(=O)Nc1ccccc1 522873966 AKTPXMSNQGTTBV-LSDHHAIUSA-N 433.892 4.281 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)NC3CCC(S(C)(=O)=O)CC3)cc2[N+](=O)[O-])cc1 525550895 PCKBTXONGQBFBI-UHFFFAOYSA-N 448.566 4.140 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@@H](c2nc3ccccc3s2)C1 533013154 ZRNYFXJQGXBVNS-OAHLLOKOSA-N 438.509 4.382 5 20 IIBD CC(C)(C)c1nc(CN2CCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)cs1 534113377 DRIGZGNSOZDYTK-UHFFFAOYSA-N 441.557 4.322 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 538041760 ALLSDPFQDFFOLB-BUXKBTBVSA-N 444.285 4.412 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ncn(Cc2ccc(Br)cc2)n1 538811978 REJDVJMPUYFJHG-UHFFFAOYSA-N 444.289 4.175 5 20 IIBD O=C(CCCNC(=O)[C@H]1CC=CCC1)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 540609081 WWSOLXIVWCFJGF-SFHVURJKSA-N 435.480 4.017 5 20 IIBD O=C1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 541548362 IQBSHYNIGFCBKN-MJGOQNOKSA-N 444.871 4.251 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2cccc(-c3ncn(C)n3)c2)cc1[N+](=O)[O-])c1ccccn1 542176561 CNOZYURFVCPBHR-HNNXBMFYSA-N 443.467 4.211 5 20 IIBD COc1ccc(NC(=O)C(=O)N(C)[C@@H](C)c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] 543001305 LOTOMZPBCZCHOI-INIZCTEOSA-N 433.464 4.429 5 20 IIBD CSCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1I 546060843 QWUMROKVJOJRHM-UHFFFAOYSA-N 428.251 4.315 5 20 IIBD O=C(Nc1cnn(-c2ccccc2)c1C(F)(F)F)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 546539706 TVPFYJADAJYKCJ-UHFFFAOYSA-N 442.357 4.237 5 20 IIBD O=[N+]([O-])c1cnc(Sc2nnc(COc3ccccc3Cl)n2-c2ccccc2)nc1 546858810 KZULVVFBNJHYJI-UHFFFAOYSA-N 440.872 4.349 5 20 IIBD CCOC(=O)C(C)(C)C1CCN(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 553187499 UHOQUVHKUWBGNV-QGZVFWFLSA-N 445.560 4.273 5 20 IIBD O=[N+]([O-])c1cc2ccccc2nc1N(CCn1ccnc1)Cc1ccc(Br)o1 553242862 MZXQHDAWFSQUFV-UHFFFAOYSA-N 442.273 4.402 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 561426651 RJWRYMHGWZEDCU-OAQYLSRUSA-N 447.413 4.155 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3ccc4[nH]c5ccccc5c(=O)c4c3)n2)c1 564497610 PNGCLDODOOCFDZ-UHFFFAOYSA-N 428.404 4.239 5 20 IIBD O=C(N[C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 569483709 BIWLUFGSAVJXQI-GDBMZVCRSA-N 436.386 4.451 5 20 IIBD COC(=O)CCN(Cc1cccc(Br)c1)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 574352008 OVDBUJBTCFFQRH-CQSZACIVSA-N 449.301 4.053 5 20 IIBD COc1cc2c(cc1Cl)CN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])CC2 576426008 UZAIGVDZOOWSAM-LLVKDONJSA-N 425.268 4.262 5 20 IIBD O=C(Nc1cc(F)c(Cl)cc1N1CCOCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 589114701 YQTZSXYIECRARL-UHFFFAOYSA-N 447.772 4.495 5 20 IIBD C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 589300747 DATWKAFGYDBILP-ZMYBRWDISA-N 442.541 4.079 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1c(OC(C)C)ccc2ccccc12 589411432 VSNZUOBMSWQBDH-UHFFFAOYSA-N 435.480 4.353 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(N(C(C)=O)[C@H]3C[C@@H]3C)cc2)c([N+](=O)[O-])cc1OC 590530146 OBPNZKHLNSOMGS-UGSOOPFHSA-N 427.457 4.016 5 20 IIBD COc1ccc(Cl)cc1[C@H](CC(C)C)Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 600849569 RCYHMGMDXCLOBL-HNNXBMFYSA-N 427.910 4.104 5 20 IIBD COc1cc(C)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Nc2ccccc2)cc1OC 603550979 VQOSFPKXSBBBBF-UHFFFAOYSA-N 443.481 4.465 5 20 IIBD Cc1cc(C)n(-c2ccc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)cn2)n1 603577152 SPEYWVDTIKLBDY-UHFFFAOYSA-N 434.500 4.281 5 20 IIBD Cc1ccc(Sc2ccc(CNCC(C)(C)N3CCN(C)CC3)cc2[N+](=O)[O-])cc1 603633612 XXBUFIJOZHGOPY-UHFFFAOYSA-N 428.602 4.170 5 20 IIBD O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1C(F)(F)F)c1ccc([N+](=O)[O-])s1 603761231 BZJYWDVCBWREJF-LBPRGKRZSA-N 429.376 4.045 5 20 IIBD Cc1ccc(-c2csc(NC(=O)CCc3c(C)nc4ccnn4c3C)n2)cc1[N+](=O)[O-] 603952329 QPHFHHIMRUNDIB-UHFFFAOYSA-N 436.497 4.258 5 20 IIBD COc1ccc([C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cc1 604020131 FYXSZXSKARIMCV-FQEVSTJZSA-N 432.885 4.325 5 20 IIBD O=C(Nc1cc(C2CCCC2)nn1-c1ccccc1)c1cc([N+](=O)[O-])cc2c1OCCO2 608935087 KWJFQOITQOTCII-UHFFFAOYSA-N 434.452 4.462 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCO[C@H](c2cccc(F)c2)C1 608965302 UPVJRZIGOWIJSE-SFHVURJKSA-N 441.381 4.155 5 20 IIBD C[C@@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1cccc([N+](=O)[O-])c1 609471260 LXAHMGGEBYXMAU-VGSWGCGISA-N 432.480 4.205 5 20 IIBD O=C(Nc1cccc(-c2ccc3c(c2)CCO3)n1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609549452 AYLCCNLRJBGRFU-UHFFFAOYSA-N 428.404 4.098 5 20 IIBD COC(=O)c1occc1CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H](C)c1ccccn1 609861943 WPIPNXGMBKHUBZ-ZDUSSCGKSA-N 443.843 4.426 5 20 IIBD CCOc1cc(C(=O)N(Cc2ccc(OC)cc2)c2ccncc2)c([N+](=O)[O-])cc1OC 610111595 DXPMMQUVRAYGMQ-UHFFFAOYSA-N 437.452 4.253 5 20 IIBD O=C1CCCC[C@@H]1[C@@H]1CCCCCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 610886522 NYNDDGNLLBBDHR-UXHICEINSA-N 427.545 4.342 5 20 IIBD COc1cc(CNc2ccc(-n3cnnn3)c(C)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 610910149 PBIOADOLLXQTNU-UHFFFAOYSA-N 446.467 4.079 5 20 IIBD COc1cc(C(=O)N2CCC[C@@H](CCO)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 610927774 WWZBLALHGRJADY-AWEZNQCLSA-N 434.876 4.284 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(CCc2ccccc2)[nH]n1 611207874 SMTZPIGWYIIESZ-UHFFFAOYSA-N 426.498 4.094 5 20 IIBD CCOc1cc(CN2C3CCCC2CCC3)ccc1OCCn1c([N+](=O)[O-])cnc1C 611274153 YDFSWTBRXQFOKN-UHFFFAOYSA-N 428.533 4.484 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(OCc2ccccc2F)CC1 611514152 IBRWSZVQPJRJCP-UHFFFAOYSA-N 435.883 4.321 5 20 IIBD COc1ccc(CC[C@@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1OC 726150182 DEMXFUVQHDNCRF-KRWDZBQOSA-N 443.456 4.148 5 20 IIBD Cc1ccc(NC(=O)c2cccc(OC(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)c2)cc1 727327765 LTVWVVURIWEELK-UHFFFAOYSA-N 430.420 4.111 5 20 IIBD C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 731514546 WSYWTKFLZYGHIX-PIGZYNQJSA-N 439.251 4.018 5 20 IIBD CC[C@H]1c2ccccc2CCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 734003339 KQGCLPOHEDURII-HNNXBMFYSA-N 425.304 4.055 5 20 IIBD C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cc([N+](=O)[O-])ccc1I 734357518 WDBHVOJIUNTLKW-GXTWGEPZSA-N 436.249 4.218 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccc(Cl)c1 734390358 DJXSPSWEDVEULC-APWZRJJASA-N 436.295 4.080 5 20 IIBD CCc1ccc(OC(=O)c2ccc(CNC(=O)Cc3ccc(OC)cc3)cc2)c([N+](=O)[O-])c1 734740165 SWQUAACPMAXYGO-UHFFFAOYSA-N 448.475 4.244 5 20 IIBD C[C@]1(c2ccc(Br)cc2)CC(=O)N(Cc2ccc(Cl)cc2[N+](=O)[O-])C1=O 734834339 IUGRDQOGBSNFNW-GOSISDBHSA-N 437.677 4.228 5 20 IIBD CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 735000877 PMFODJUTINAOIV-UHFFFAOYSA-N 440.283 4.447 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 741184727 IPOPNXURXVGWBA-UHFFFAOYSA-N 430.869 4.474 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)CN2CCc3ccccc32)c2ccccc2)c([N+](=O)[O-])c1 741331496 GMTRUKDUKDHCGO-DEOSSOPVSA-N 445.475 4.189 5 20 IIBD COCC[C@H](Cc1cccc(Br)c1)C(=O)OCc1c(F)cccc1[N+](=O)[O-] 741370032 LKDDKEWUIMMZHR-CQSZACIVSA-N 440.265 4.435 5 20 IIBD COC(=O)c1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc([N+](=O)[O-])c1 743789851 YMEOBFLZRGIZHB-UHFFFAOYSA-N 435.392 4.137 5 20 IIBD CCOC(=O)c1cc(C(=O)O[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc([N+](=O)[O-])c1 746060240 OKZQFIPUIZJHHE-LLVKDONJSA-N 445.815 4.393 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1 746140191 SNMUCLMBNJNECR-GOSISDBHSA-N 446.527 4.374 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 746270836 KNDUKTZYODPQMB-AUSIDOKSSA-N 441.503 4.453 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(N2CCc3sccc3C2)cc1 748692151 GNQZESCNCLGXCD-UHFFFAOYSA-N 429.523 4.328 5 20 IIBD C[C@H]1CCCN(CCCCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 749568297 HVLFULLBXCJFMR-LBPRGKRZSA-N 432.746 4.253 5 20 IIBD O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)c1cccc(Cl)c1[N+](=O)[O-] 749909733 AJBWXUJVJFGXQB-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD O=C(COC(=O)c1cc(F)c(F)cc1Br)Nc1cc(Cl)ccc1[N+](=O)[O-] 750196239 MOUDHBACPVXASF-UHFFFAOYSA-N 449.591 4.084 5 20 IIBD O=[N+]([O-])c1ccc(-c2ncn(CN(Cc3csc(Br)c3)C3CC3)n2)cc1 752801044 RJKWUQZQKZNFPG-UHFFFAOYSA-N 434.319 4.299 5 20 IIBD O=C(OCCOC1CCOCC1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 755953261 LSXFZWVBIGCMJO-UHFFFAOYSA-N 434.876 4.213 5 20 IIBD Cc1n[nH]c(C)c1[C@H](C)CC(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 759815696 ONSHGJLJRARZLA-BXKDBHETSA-N 442.394 4.018 5 20 IIBD Cc1cc(-c2noc([C@@H](C)NC(=O)c3ccc(Br)c([N+](=O)[O-])c3)n2)ccc1F 760822778 DANKBNSBGSGMHS-SNVBAGLBSA-N 449.236 4.346 5 20 IIBD CN(C(=O)C(C)(C)C)c1ccc(OS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 765201829 DUQFMHQSTCFPCA-UHFFFAOYSA-N 426.878 4.025 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(NCC2(N[C@@H](C)c3ccccc3)CCOCC2)cc1Cl 765504854 BLQUCEVQHATNJR-HNNXBMFYSA-N 447.919 4.347 5 20 IIBD CN(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](CO)c1cccc(Br)c1 766306301 GODXLXWOJHVBEM-HNNXBMFYSA-N 428.670 4.208 5 20 IIBD C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 766719978 MALNODWPOLEBEM-SGTLLEGYSA-N 443.397 4.183 5 20 IIBD Cc1nc(-c2ccccc2)ncc1C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 767624107 NMXPZHRWJQQVBW-CYBMUJFWSA-N 440.843 4.198 5 20 IIBD C[C@H](NC(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)[C@H]1CN(C)CCO1 771766135 TYWICRZBTCIZTA-BXKMTCNYSA-N 428.532 4.382 5 20 IIBD COC(=O)CC(C)(C)CC(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 776186747 YOIHTTFHBZBANL-UHFFFAOYSA-N 448.859 4.385 5 20 IIBD CC[C@@H](C)n1ncc2c(C(=O)O[C@H]3CCN(c4ccc([N+](=O)[O-])cc4F)C3)cc(C)nc21 778811294 QOBVBXXGJRTKMH-ZBFHGGJFSA-N 441.463 4.194 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 780035681 PEMPQCDZXULAHG-HUUCEWRRSA-N 437.562 4.472 5 20 IIBD CC(C)[C@H](OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)NCc1ccccc1F 781260853 REUXSJBKJAXAHO-DEOSSOPVSA-N 446.478 4.318 5 20 IIBD Cc1ccc(N2CCNC2=O)cc1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 785951081 WGEVQNULFWODOU-UHFFFAOYSA-N 445.479 4.297 5 20 IIBD C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 789086231 SBVLNLVAEKNNBO-CYBMUJFWSA-N 432.864 4.107 5 20 IIBD CS(=O)(=O)CC[C@H](C(=O)Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-])c1ccccc1 789412884 OEMJUJJLPCVUIT-FQEVSTJZSA-N 439.489 4.386 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 790557165 AUWIEJLFGDIDPV-NSHDSACASA-N 430.238 4.117 5 20 IIBD O=C(NC[C@H]1[C@H]2c3ccccc3C[C@H]21)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 790776587 CUOMDKRATPCAEL-YRNRMSPPSA-N 442.313 4.011 5 20 IIBD COc1cc(OS(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)ccc1[N+](=O)[O-] 795223998 SJLCAZJQBQJSSJ-UHFFFAOYSA-N 426.859 4.148 5 20 IIBD COc1c(C(=O)OCc2coc(-c3ccc(Br)cc3)n2)cccc1[N+](=O)[O-] 796310170 DDSOYHNQUZZPHE-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD COc1ccccc1OCC(=O)Nc1cccc(Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])c1 804360200 GMVIRHNEIBEQSD-UHFFFAOYSA-N 438.396 4.273 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 804536333 SVCKVJNFAWPANO-AREMUKBSSA-N 448.567 4.323 5 20 IIBD CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 809192037 IZVRVVACVVGZOE-ZDUSSCGKSA-N 443.447 4.106 5 20 IIBD Cc1ccccc1[C@H](C(C)C)N(C)C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810364472 XSWYQSONZNEFIV-SFHVURJKSA-N 448.317 4.460 5 20 IIBD COc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c(OC)c1 811372852 JDFHNGVYCGGXEO-SECBINFHSA-N 428.224 4.347 5 20 IIBD CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])s1 811505586 FSYLSHKTEDOTAJ-RKDXNWHRSA-N 432.333 4.068 5 20 IIBD COCCn1c(-c2cn(C)c3ccccc23)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 812108845 CUOJDHHMOYROAS-UHFFFAOYSA-N 446.511 4.160 5 20 IIBD CC(C)NC(=O)CSc1ccccc1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 812210034 HHADYEDRUZBGGT-UHFFFAOYSA-N 435.933 4.137 5 20 IIBD Cc1c(C(=O)N[C@H](C)c2ccc(N3CCCCC3=O)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 812386450 ULTOUSYHJRWEPE-OAHLLOKOSA-N 440.456 4.128 5 20 IIBD C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(N2CCCCC2=O)cc1 812389056 OQCWOYFGSDITJK-CYBMUJFWSA-N 446.301 4.365 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1ccc(=O)n(CCOc2ccccc2Cl)c1 813245366 AABJZBGSBMBQNA-UHFFFAOYSA-N 448.262 4.395 5 20 IIBD C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 816819632 KNPBFTMSUFSYQY-DIFFPNOSSA-N 439.346 4.124 5 20 IIBD C[C@@H](OC(=O)COc1cccc2ccccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 844161318 BSVLVTXPGWUICW-CYBMUJFWSA-N 428.828 4.351 5 20 IIBD C[C@H](OC(=O)c1ccccc1C(=O)c1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 900676755 HUVUZVXDBGYBFO-AWEZNQCLSA-N 436.395 4.149 5 20 IIBD CN(Cc1c(Cl)cccc1Cl)C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 914501461 JJGJBCPILPSRMK-LLVKDONJSA-N 440.258 4.052 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCc2[nH]c3ccc(Br)cc3c2C1 914510908 VWDFYTWZYBVRSH-BAQGIRSFSA-N 426.270 4.437 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc2ccc(Br)cc2s1 915184862 CEUFKXIRIUACEY-UHFFFAOYSA-N 428.289 4.076 5 20 IIBD C[C@@H](OC(=O)c1[nH]c2ccccc2c1Br)C(=O)Nc1ccc([N+](=O)[O-])cc1 915510009 VKLABWNSWPKLJY-SNVBAGLBSA-N 432.230 4.023 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1I)N1CCCc2cc(F)cc(F)c21 917694987 JJGIOYPHFBOEPV-UHFFFAOYSA-N 444.175 4.071 5 20 IIBD C[C@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(=O)N(C)Cc1c(F)cccc1Cl 919210969 KMAIGSYOIBXPFC-NSHDSACASA-N 434.807 4.337 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccccc3C(=O)NC(C)(C)C)cc2)c(C)c1[N+](=O)[O-] 919858831 ROPNFYBPLIMDDU-UHFFFAOYSA-N 449.511 4.237 5 20 IIBD COc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)c2ccc(OC)cc2OC)cc1 1251768184 RZADFTWFFJGOMG-QFIPXVFZSA-N 440.427 4.279 5 20 IIBD Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 1319423328 YNNMLJPFBGHEKW-UHFFFAOYSA-N 449.250 4.098 5 20 IIBD O=C(c1ccccc1)c1ccc(N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c([N+](=O)[O-])c1 1325578553 CXBNQHHKFDVVFP-UHFFFAOYSA-N 446.463 4.056 5 20 IIBD Cc1cncc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C)c([N+](=O)[O-])cn4)CCC3)cc2)c1 1787429829 HNIRPKYTZIROPT-UHFFFAOYSA-N 445.479 4.063 5 20 IIBD COc1cc(CC(=O)NC2(c3ccc(NC(=O)C(C)(C)C)cc3)CCC2)ccc1[N+](=O)[O-] 1787704362 SGRDMCZLWICSJO-UHFFFAOYSA-N 439.512 4.326 5 20 IIBD O=C(CCC1CCCC1)NC1(c2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)CCC1 1789687931 OROULTJZXCIJTE-UHFFFAOYSA-N 425.489 4.036 5 20 IIBD CC(=O)C[C@H](C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])CCC2)cc1 1791543484 YQJKDKGWEPYXIG-YJJOXIQCSA-N 449.507 4.357 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1 1793939539 UICPVIUHZHIUMI-ACDBMABISA-N 447.491 4.226 5 20 IIBD Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2c(F)ccc([N+](=O)[O-])c2C)c1F 1800697345 QEPNQZXHMIFFCM-MUJYYYPQSA-N 443.450 4.055 5 20 IIBD O=C(/C=C/C1CCCC1)N1CCC2(CCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)CC1 1804753793 KDYGMTJYXAAUGF-MDZDMXLPSA-N 439.556 4.115 5 20 IIBD CC(C)(C)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)[nH]n1 1816760256 AADUTVGZQMHWBV-QGZVFWFLSA-N 431.468 4.199 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2)[nH]n1)c1ccc([N+](=O)[O-])cc1F 1821052321 IZHKYTSTVVXSJE-LJQANCHMSA-N 437.431 4.077 5 20 IIBD Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3)CC2)cc1[N+](=O)[O-] 1830364757 GTJNEFQADUCJJM-HSZRJFAPSA-N 449.551 4.379 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCC([C@@H]2CCCCN2C(=O)CC2CCC2)CC1 1832830949 LTDPXUOBMIORFS-JCOOBLOPSA-N 429.517 4.011 5 20 IIBD C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 10898601 ZFIDXAQQXLEXSC-LBPRGKRZSA-N 439.896 4.106 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)CSc1ccc([N+](=O)[O-])cc1 16720216 OKQZLMWKCXNECX-GFCCVEGCSA-N 438.889 4.228 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nnc1-c1cccc(C)c1 20168420 NROQIHSTAVUOBX-CYBMUJFWSA-N 429.477 4.440 5 20 IIBD COCCN(C(=O)Cc1noc2ccccc12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 61438721 HBWVCJVVDYDLDF-UHFFFAOYSA-N 438.465 4.082 5 20 IIBD C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)c2)C1 62922594 YOAOTEUAMLOTSQ-BEFAXECRSA-N 446.525 4.346 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@H]1CCCN1C(=O)c1cccs1 69157873 BNRZWUHLWGAABC-OAHLLOKOSA-N 428.495 4.023 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCN(Cc2cccc3ccccc23)CC1 104919941 GJCPRBFLZWVHFY-UHFFFAOYSA-N 444.535 4.306 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 109249338 YOPAARMZNRKRKA-KRWDZBQOSA-N 447.495 4.356 5 20 IIBD Cc1c(NC(=O)CCN2CCO[C@@H](c3cccc(Br)c3)C2)cccc1[N+](=O)[O-] 109818467 RNZIZDBRQILNIA-LJQANCHMSA-N 448.317 4.068 5 20 IIBD Cc1ccc(NC(=O)c2ccc(-n3ncc(C(=O)O)c3C(F)(F)F)cc2)cc1[N+](=O)[O-] 237721813 XVOBFQJKCXPKHK-UHFFFAOYSA-N 434.330 4.058 5 20 IIBD O=C(c1cc(N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)ccc1[N+](=O)[O-])N1CCCC1 301142209 GSINCKQZNARPHS-FQEVSTJZSA-N 433.867 4.201 5 20 IIBD CNC(=O)c1ccc(N2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)c([N+](=O)[O-])c1 301207233 RAOCJAHTIMRLIA-UHFFFAOYSA-N 445.479 4.161 5 20 IIBD Cn1ccnc1C(=O)c1ccc(Nc2ccc(OCC3CCOCC3)cc2)c([N+](=O)[O-])c1 301345319 SHWBJLJHTFUUJB-UHFFFAOYSA-N 436.468 4.108 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(c3nc(-c4ccccn4)no3)CC2)c(Br)c1 301418968 RRBSCKLMXDJGRY-UHFFFAOYSA-N 430.262 4.186 5 20 IIBD COC(=O)c1nc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])sc1C(C)C 426371655 LVRGJYLFPVEYPR-UHFFFAOYSA-N 426.454 4.276 5 20 IIBD COCCN(C(=O)c1ccc([N+](=O)[O-])cc1OC)[C@@H](C)c1cccc(C(F)(F)F)c1 427181294 DXNYLJBDDZGORM-ZDUSSCGKSA-N 426.391 4.472 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(C)cc1Sc1nnc(COc2ccccc2Cl)n1C 429211169 JTBXNGMSURKAHU-UHFFFAOYSA-N 448.888 4.202 5 20 IIBD O=C(NC[C@@]1(CO)C[C@@H]1c1ccc(F)cc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 430125902 UWAAIUFDFHVXFN-PXDATVDWSA-N 449.482 4.242 5 20 IIBD COc1ccccc1CN(Cc1cccs1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] 431070511 YMZSHGOAYCQYEZ-UHFFFAOYSA-N 446.550 4.240 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(C[S@@](=O)Cc3noc(-c4ccc(F)cc4F)n3)co2)cc1 435930052 MHVCOQMTUVVXEK-WJOKGBTCSA-N 446.391 4.027 5 20 IIBD CCc1nc(CN2CCC(CNc3cc(C(F)(F)F)ncc3[N+](=O)[O-])CC2)cs1 436406079 IJYAVFZGBKODQY-UHFFFAOYSA-N 429.468 4.352 5 20 IIBD O=C(c1ccc(O)c([N+](=O)[O-])c1)N(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 436866080 WLCIOVBDDVTJPA-JOCHJYFZSA-N 446.507 4.002 5 20 IIBD Cc1ccc([C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H](C)S(C)(=O)=O)cc1 437839279 MGSNFLCUQIBCMX-YJYMSZOUSA-N 432.523 4.022 5 20 IIBD Cc1nn(-c2ccccc2)cc1CCCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437998273 GSYYHHGWFRALQS-UHFFFAOYSA-N 433.512 4.396 5 20 IIBD COC(=O)c1ccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1Cl 438496879 YYBSCAUSBSBAPZ-UHFFFAOYSA-N 433.848 4.110 5 20 IIBD CS(=O)(=O)c1ccc(CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])s1 440859799 MPUDESZKXLZTCS-UHFFFAOYSA-N 448.547 4.141 5 20 IIBD COc1cccc([C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2Cl)c1 441957002 TUZSXZGWSPEVFI-HXUWFJFHSA-N 439.855 4.101 5 20 IIBD CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 444342443 LIHIOUVRQDZBOY-UHFFFAOYSA-N 445.541 4.340 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 444921141 MNKCKOIDDFVQFV-UHFFFAOYSA-N 427.244 4.013 5 20 IIBD Cc1ccc(-n2nc(C)cc2NC(=O)Cc2noc(/C=C\c3ccccc3[N+](=O)[O-])n2)cc1 445504802 PZJWTKCBIPBXID-XFXZXTDPSA-N 444.451 4.132 5 20 IIBD O=C(Nc1cccn(Cc2ccccc2)c1=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 446507422 KBTLLFLVBIGLHS-UHFFFAOYSA-N 432.461 4.181 5 20 IIBD COc1ccc(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])cc1NC(C)=O 447675094 KEVRJRVAHWWIAO-UHFFFAOYSA-N 434.321 4.223 5 20 IIBD O=C(c1ccc(F)cc1)C1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 447710160 NGGAYCCBZQFTST-UHFFFAOYSA-N 442.490 4.415 5 20 IIBD O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1C[C@H](O)Cc2ccccc21 447718206 YWZARUXMMCDQJJ-GOSISDBHSA-N 437.883 4.424 5 20 IIBD COc1cccc(-n2c(NC(=O)c3cc(OC)c(OC)cc3[N+](=O)[O-])nc3ccccc32)c1 460383145 DGFAESBCWVZYIK-UHFFFAOYSA-N 448.435 4.212 5 20 IIBD O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CC[C@@H](n2cccn2)C1 462398043 PLQPNHDHGCVUAM-QGZVFWFLSA-N 425.876 4.144 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2ccccc2n1CCCn1ccnc1 462493207 YVKVSXHIFREONP-LJQANCHMSA-N 446.511 4.439 5 20 IIBD NC(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)o1 466436877 RSIAYEMJPZIODI-UHFFFAOYSA-N 431.857 4.021 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN3CCN(c4c(Cl)cccc4Cl)CC3)o2)cc1 467223882 RWELZVYBXNMINU-UHFFFAOYSA-N 434.283 4.274 5 20 IIBD CCOc1ccccc1[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 470246543 GUJAEZHAEKGDTD-JXFKEZNVSA-N 427.501 4.015 5 20 IIBD COc1cc(CCNC(=O)N2CC=C(c3cccc(Cl)c3)CC2)c([N+](=O)[O-])cc1OC 473998383 FCDCTAQMLDIIAJ-UHFFFAOYSA-N 445.903 4.307 5 20 IIBD O=c1c(Br)cc([N+](=O)[O-])cn1CC/C=C/c1ccc(Br)cc1 474351406 LHFWRIKQYHYVRS-HNQUOIGGSA-N 428.080 4.385 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCCOC1CCN(Cc2ccccc2)CC1 475653286 SLQRXYAXRNPPBG-UHFFFAOYSA-N 440.544 4.404 5 20 IIBD COC(=O)[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@@H]1C 476781291 VLIZDJCXUIIWFB-SUMWQHHRSA-N 432.860 4.312 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)CCc1ccc(I)cc1 477691499 IWVIVHFILGTCBA-CYBMUJFWSA-N 438.265 4.259 5 20 IIBD CCOc1cc(C(=O)N[C@@H](CCc2ccccc2)C(F)(F)F)c([N+](=O)[O-])cc1OC 479761732 ZUOMHWTWPMLSSU-SFHVURJKSA-N 426.391 4.296 5 20 IIBD O=C(CN[C@H](c1cc(F)cc(Br)c1)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 481731577 VQBLIRNFDQEBDI-FQEVSTJZSA-N 448.292 4.126 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(C)c2C(=O)N2CCCC2)cc1SC 482905567 FTCDIPGRJJVUAW-UHFFFAOYSA-N 429.498 4.122 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)cc1[N+](=O)[O-] 484303132 DGRBSRMBKXKLJI-SFHVURJKSA-N 433.574 4.111 5 20 IIBD CCOC(=O)c1nc(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)oc1C 484473768 YTTBIFPNTBDIKO-UHFFFAOYSA-N 448.482 4.236 5 20 IIBD Cc1ccc(-n2ncc(NC(=O)C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)c2C(C)C)cc1 484603033 IUSMZPWNMMGIMM-UHFFFAOYSA-N 435.484 4.406 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)N[C@H](C)C(C)C)CC1 486268669 GZJFQBQGDXZSNM-MRXNPFEDSA-N 435.590 4.356 5 20 IIBD CS(=O)(=O)c1cccc(N[C@H]2CSc3ccc(Br)cc32)c1[N+](=O)[O-] 486511901 XHCYJEHQKULYHA-LBPRGKRZSA-N 429.317 4.020 5 20 IIBD O=C(Cc1cccc(OCc2cccnc2)c1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 486712419 YEKZPIQYMYVTMT-UHFFFAOYSA-N 445.397 4.447 5 20 IIBD Cn1c(SCCC(=O)Nc2cc(F)cc(F)c2)nc2cc3ccccc3cc2c1=O 488766026 MJGJINLEIRFUIA-UHFFFAOYSA-N 425.460 4.486 5 20 IIBD O=C(Nc1cccc(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1)C1CCCCC1 488893493 SEBIOQIIABTBKR-UHFFFAOYSA-N 440.504 4.179 5 20 IIBD O=C(Nc1nc2ccc(OCC(F)(F)F)cc2s1)c1cc2c(c([N+](=O)[O-])c1)OCO2 489361239 SSAMEUDQIBXDMG-UHFFFAOYSA-N 441.343 4.127 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2 489982154 NHNOUUNBHLFDRF-YVEFUNNKSA-N 429.498 4.307 5 20 IIBD CC(C)(C)[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc(F)c1 493945110 NRNKROZFQWFGLL-INIZCTEOSA-N 439.390 4.177 5 20 IIBD COC(=O)c1cccc(NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1Br 495046331 GICOMVPCPUFMTN-LLVKDONJSA-N 436.262 4.335 5 20 IIBD C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CC[C@@H](Nc2ccccc2)C1 495058381 JBAGMEHYOHVHJY-CRAIPNDOSA-N 437.525 4.232 5 20 IIBD CSc1ccc(N(C)C(=O)c2ccc([N+](=O)[O-])cc2I)cc1 496248844 XTZOJSSEDWYYMK-UHFFFAOYSA-N 428.251 4.198 5 20 IIBD O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 500256778 BPKKYHRBVIUSQT-UHFFFAOYSA-N 447.447 4.112 5 20 IIBD O=C(CCN1CCC(Oc2cccc(Br)c2)CC1)Nc1ccccc1[N+](=O)[O-] 501038097 RPPWXNQZHCPBTP-UHFFFAOYSA-N 448.317 4.229 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccc(C)cc1)N1CCOCC1 504076700 OOUNZCUGHFBXNW-NRFANRHFSA-N 443.569 4.209 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 504556790 WTQOGMOPJOMZTR-YLJYHZDGSA-N 449.479 4.077 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC(CCCN2CCCC2)CC1 505270469 IJDFCJVWDIJEPP-UHFFFAOYSA-N 431.580 4.269 5 20 IIBD Cc1cc(OCC(=O)NCc2cccc(OCC(F)(F)F)c2)c(Cl)cc1[N+](=O)[O-] 506432594 KMXNQJGBZCZOOZ-UHFFFAOYSA-N 432.782 4.193 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCC(=O)N1CCc2ccccc21 506510761 IJLVOTUGRCWVBU-UHFFFAOYSA-N 427.526 4.196 5 20 IIBD CCOC(=O)CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H](C)c1cccc(Br)c1 508313310 AFEBKBJEPZOKLO-CQSZACIVSA-N 449.301 4.053 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 510364860 QTLHAFZKOBXTHU-UHFFFAOYSA-N 435.322 4.261 5 20 IIBD C[C@H]1CN(CC2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)C[C@@H](C)O1 512181647 PLBRPMCRTKWCMG-CALCHBBNSA-N 430.574 4.040 5 20 IIBD Cc1c(NC(=O)[C@H](C)NCc2ccccc2CN2C[C@@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] 515758037 WDXYZHZFSMPBRZ-BJLQDIEVSA-N 438.572 4.498 5 20 IIBD COc1ccc([C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c2c[nH]c3ccccc23)cc1 516466075 LHKNNUYIXSJNKR-IBGZPJMESA-N 448.454 4.368 5 20 IIBD C[C@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 519121862 RDICVEXHLMSFMO-VOJFVSQTSA-N 437.315 4.335 5 20 IIBD Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 524379075 QKDRFCKSOJASCY-IBGZPJMESA-N 434.452 4.049 5 20 IIBD CCCC(=O)Nc1cccc(CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 525256938 OZJDTIYONGVCPY-UHFFFAOYSA-N 440.500 4.086 5 20 IIBD Cc1ccc([C@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])c2ccc(F)cc2Cl)cc1 525687849 XCRSSPJLRKGABG-SFHVURJKSA-N 435.864 4.159 5 20 IIBD C[S@@](=O)Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)ccc1Cl 530786341 GHUZPHQHSOZZNK-RUZDIDTESA-N 445.722 4.070 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC=C(c2ccc3c(c2)OCCO3)CC1 537763748 LFHXWMWXPHKPDG-HNNXBMFYSA-N 426.494 4.163 5 20 IIBD O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cccc([N+](=O)[O-])c1N1CCOCC1 539552902 TXZPJKHIVCZIHQ-UHFFFAOYSA-N 444.900 4.461 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@H](C)c2cccnc2)CC1 539672605 QOYYVPDLJBKHPI-QGZVFWFLSA-N 428.558 4.401 5 20 IIBD COc1ccc(NC(=O)CN2CCc3sc(-c4csc(C)n4)cc3C2)c([N+](=O)[O-])c1 540099140 PPMOPSXYYBZSHU-UHFFFAOYSA-N 444.538 4.094 5 20 IIBD C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 540132718 FOXAJPATQOOUMT-LLVKDONJSA-N 432.267 4.242 5 20 IIBD COc1ccc2[nH]cc(C3=CCN(C(=O)CCOc4cc(C)ccc4[N+](=O)[O-])CC3)c2c1 540600570 UBWJLXNYYSMMMV-UHFFFAOYSA-N 435.480 4.478 5 20 IIBD CC(C)C[C@@H]1C[C@H](NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CCO1 540766013 URQXIXYQNDSATN-TZMCWYRMSA-N 441.315 4.411 5 20 IIBD COc1ccc(NC(=O)CN[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)c([N+](=O)[O-])c1 541193681 JCZMXHYPBMIGFS-FQEVSTJZSA-N 440.887 4.164 5 20 IIBD COc1ccc(NC(=O)c2cccc(OCc3cn4cc(C)ccc4n3)c2)cc1[N+](=O)[O-] 542000580 QRFOJBUXJAASLS-UHFFFAOYSA-N 432.436 4.391 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)c1 542714766 VRGKUONVVZFQGR-UHFFFAOYSA-N 432.527 4.190 5 20 IIBD CCOc1cc(CN(C)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)ccc1OC(F)F 542958820 IRBJQFVHKFAFDF-UHFFFAOYSA-N 425.388 4.267 5 20 IIBD C[C@@H](NC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)[C@@H]1CCOC1 543081282 RWAVVXVGSQLNTN-TZMCWYRMSA-N 437.855 4.404 5 20 IIBD O=[N+]([O-])c1ccccc1OC[C@H](O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 543119732 CGAPYQSDWCIAEU-IBGZPJMESA-N 448.504 4.375 5 20 IIBD C[C@@H](C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])cc1F 543590014 ZNAAGDBZYYCGNH-OAHLLOKOSA-N 449.910 4.150 5 20 IIBD C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2nnc3n2CCCCC3)c1 544002779 YYDKGFARAHYBEC-MRXNPFEDSA-N 434.500 4.409 5 20 IIBD Cc1cc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])n(-c2cccc(C(F)(F)F)c2)n1 546794836 LZSLRTPDVQRUKG-UHFFFAOYSA-N 440.403 4.050 5 20 IIBD CNS(=O)(=O)c1ccc(N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)c([N+](=O)[O-])c1 549256306 OLUMTVVXYXHOPE-QGZVFWFLSA-N 429.420 4.085 5 20 IIBD COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1OC[C@H](O)CO[C@H](C)c1ccc(Cl)cc1 550206140 HCUHNHFNVMBEOW-IAQYHMDHSA-N 444.267 4.206 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CC[C@@](F)(c2ccccc2F)C1 558820985 HDDVTLLDPFFBIR-SFHVURJKSA-N 430.329 4.386 5 20 IIBD CN(CCc1nc(-c2ccccc2)no1)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 561418022 OEYIADWOEZZGKN-UHFFFAOYSA-N 431.452 4.298 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(F)c3ccccc23)cc1OC 561628445 FPWKIFLECNNXQP-CQSZACIVSA-N 442.443 4.412 5 20 IIBD CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC(C(=O)Nc2cccc(Br)c2)CC1 569846347 VHBNUORMUDPEFF-UHFFFAOYSA-N 446.301 4.415 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c1 579449028 JQBOMLTWVZHCKP-OAHLLOKOSA-N 434.452 4.132 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(CNc3ccc(C(F)(F)F)c([N+](=O)[O-])c3)cc2)C[C@@H](C)O1 589110360 LJPVHZAMWQEYJF-ZIAGYGMSSA-N 437.418 4.475 5 20 IIBD COc1cc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c(OC)cc1Cl 603731582 XIKIRXZQQQCLML-UHFFFAOYSA-N 434.754 4.459 5 20 IIBD CC(C)OC(=O)c1c(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)sc2c1CC[C@@H](C)C2 603761394 GOWGHYFLWWLHLF-LLVKDONJSA-N 446.481 4.327 5 20 IIBD CCOc1ccc(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)cc1[N+](=O)[O-] 603977702 LSJRAZPERZIXGA-UHFFFAOYSA-N 435.436 4.263 5 20 IIBD O=C(NC[C@H]1CCN(c2ccc(Cl)cc2)C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 604466739 ZKFVVDAUTBNQQE-QGZVFWFLSA-N 442.947 4.107 5 20 IIBD Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 604534408 BQSZSJDCOHPZQV-CYBMUJFWSA-N 449.305 4.055 5 20 IIBD COc1ccc(CC(=O)N(C)CCCc2cc(-c3ccc(F)cc3)no2)cc1[N+](=O)[O-] 609012251 RUIXPBTVLABAJP-UHFFFAOYSA-N 427.432 4.031 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)c([N+](=O)[O-])c1 609069778 QMPSQEXUHXEMJN-UHFFFAOYSA-N 443.456 4.024 5 20 IIBD CCCn1c2ccccc2c2nnc(S[C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)nc21 609449947 HWOIGEABVYJGKM-SFHVURJKSA-N 448.508 4.195 5 20 IIBD COC(=O)c1sc2[nH]c(/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc(=O)c2c1C 610413889 FMOYTNTVVKWKAL-CSKARUKUSA-N 437.433 4.418 5 20 IIBD O=C(Nc1ccc(F)cc1)Nc1cccc(OC[C@H](O)COc2ccccc2[N+](=O)[O-])c1 612031638 CGOPAGJCNRCINZ-SFHVURJKSA-N 441.415 4.197 5 20 IIBD CCOC(=O)c1sc(-c2ccc(OC)cc2)cc1NC(=O)c1ccc([N+](=O)[O-])n1C 612607540 QHLXCAZZOBUZJA-UHFFFAOYSA-N 429.454 4.099 5 20 IIBD COc1ccc2c(c1)nc(CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)n2C 613689589 OQHQBMNBPZFGLZ-UHFFFAOYSA-N 440.525 4.455 5 20 IIBD COc1cc(C(=O)Nc2cc(CO)c(C)cc2C)c([N+](=O)[O-])cc1OCc1cscn1 615893852 OQBXAKCGYJKQAB-UHFFFAOYSA-N 443.481 4.000 5 20 IIBD CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)NCc3cccc([N+](=O)[O-])c3C)cc2)cc1 616438304 MEKKUYUEQVQHDK-UHFFFAOYSA-N 439.493 4.007 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC4(CCCCC4)CC3)n2C[C@@H]2CCOC2)c1 619856942 JEFTUOJNXCAWDA-SFHVURJKSA-N 425.533 4.441 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Oc1ccc2c(c1)OCCCO2 726761003 IARAYNBUGAQZIV-UHFFFAOYSA-N 426.347 4.183 5 20 IIBD CC(C)(C)c1noc(-c2ccccc2C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)n1 726841095 GVVRGSNJWQXJFM-UHFFFAOYSA-N 449.423 4.349 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 730382536 STXDJCWTKWHRSS-UHFFFAOYSA-N 442.497 4.233 5 20 IIBD O=C(COC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1cc(C2CC2)nn1-c1ccccc1 730643033 LKXGBKPGMZQJGL-UHFFFAOYSA-N 440.843 4.107 5 20 IIBD CC[C@@H](C)N1C(=O)N[C@@H](c2csc(-c3cccc([N+](=O)[O-])c3)n2)C(C(=O)OC)=C1C 733122318 XRIPGAAQBDPEHU-DIFFPNOSSA-N 430.486 4.030 5 20 IIBD CCOc1nnc(COC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)s1 733443434 QPRTUNJZFDGVGH-UHFFFAOYSA-N 431.426 4.003 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)Cc1ccc(Cl)cc1Br 733602024 RCUCADYSITUDCI-UHFFFAOYSA-N 441.665 4.044 5 20 IIBD COc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1NC(=O)C1CCCCC1 734779392 GIAAOVCXJMWOMQ-UHFFFAOYSA-N 442.428 4.283 5 20 IIBD Cc1ccc(SCCC(=O)OCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cc1C 735339499 HHCYNUHVIJCHHZ-UHFFFAOYSA-N 430.482 4.235 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 735702284 LIARSNZLYBDJPJ-OAQYLSRUSA-N 441.314 4.311 5 20 IIBD CC(=O)Nc1cccc(N=c2scc(-c3cnn(C)c3)n2Cc2ccccc2[N+](=O)[O-])c1 741154658 BBBSTBIFSFUVKL-UHFFFAOYSA-N 448.508 4.097 5 20 IIBD Cc1ccc([C@@H]2OCCC[C@@H]2CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])cc1 742431490 ZJRWTEKMCUZJBX-BEFAXECRSA-N 440.468 4.479 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(=O)Nc1ccccc1Cl 744554197 LTKWELHRGFEFBI-AWEZNQCLSA-N 431.876 4.423 5 20 IIBD O=C(OCc1nnc(-c2cccc(F)c2)o1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 744762342 KYEUANASTPMWEC-UHFFFAOYSA-N 441.293 4.082 5 20 IIBD Cn1c(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc2cc(C(F)(F)F)ccc21 745629000 AQWALWODELHWDA-UHFFFAOYSA-N 439.321 4.040 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Oc1ccc(-c2cnc3ccccc3n2)cc1 747286922 DXUVKAROHUAPAQ-UHFFFAOYSA-N 425.397 4.112 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1/C=C1/N=C(c2ccc(OCC)c(OCC)c2)OC1=O 748597756 MMMUERJEXFSENH-SFQUDFHCSA-N 426.425 4.135 5 20 IIBD CC[C@@H](Oc1ccccc1Cl)C(=O)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 749029563 RCXDCHUKMFZIPF-MRXNPFEDSA-N 441.267 4.032 5 20 IIBD O=C(NC1(c2noc([C@@H]3CCOC3)n2)CCCCCC1)c1cccc(Cl)c1[N+](=O)[O-] 749167600 ULHVDFLJPBBZTD-CYBMUJFWSA-N 434.880 4.115 5 20 IIBD C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 750682266 AJICMOHQYXMLRH-QWHCGFSZSA-N 426.901 4.405 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cccc(CN(C)Cc2ccccc2)c1 751787904 BPDZZZOZZVXOEW-UHFFFAOYSA-N 447.491 4.331 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N2CCC(c3c[nH]c4ncccc34)CC2)cc1[N+](=O)[O-] 752236363 UPMRIVDMNNWUHM-UHFFFAOYSA-N 434.905 4.001 5 20 IIBD O=C(COC(=O)c1cnc(Cc2ccccc2)s1)Nc1cc(Cl)ccc1[N+](=O)[O-] 756538922 BATSDAPNALKXFB-UHFFFAOYSA-N 431.857 4.091 5 20 IIBD O=C(O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 759932775 NNZFGYAYDMBYJB-HZPDHXFCSA-N 443.441 4.164 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)Cc1cccc(I)c1 760323340 POEZZEFAFQRXAT-UHFFFAOYSA-N 444.656 4.054 5 20 IIBD C[C@@H](C(=O)Nc1cnc(Br)c(Br)c1)c1cccc([N+](=O)[O-])c1 762024009 FJOSOCMUUHRZPU-MRVPVSSYSA-N 429.068 4.257 5 20 IIBD CCN(CCO)Cc1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1 768140804 LDEXOYOFIZCWJY-UHFFFAOYSA-N 434.499 4.078 5 20 IIBD C[C@@H](COC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)Cc1ccc(F)cc1 771030021 AEXGSMXXFXDPQT-CYBMUJFWSA-N 430.461 4.049 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2cccn2[C@H](C)Cc2ccccc2)c([N+](=O)[O-])c1 773718314 HDGOIEIENZVSEU-MRXNPFEDSA-N 437.452 4.004 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 775087819 RGXOEAATZJRIOK-UHFFFAOYSA-N 434.426 4.227 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 775088953 XCAIVJDODQVIMR-LBPRGKRZSA-N 432.454 4.008 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)c(-c3ccccc3)s2)cc1[N+](=O)[O-] 777666814 JLGNWKRHHDLZLL-UHFFFAOYSA-N 448.482 4.006 5 20 IIBD CC(C)(C)n1ncc(C(=O)O[C@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)c1C(F)(F)F 778776920 NFPWBXGDQQIBPI-AWEZNQCLSA-N 426.395 4.001 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 779163272 SDVORVGNNGYPST-JSGCOSHPSA-N 428.327 4.092 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] 780047633 RYXMPHIAGUGAQH-FQEVSTJZSA-N 440.887 4.264 5 20 IIBD O=C(OCc1nccn1CC(F)(F)F)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781257620 LIQLAVLPMXSXSB-UHFFFAOYSA-N 437.324 4.075 5 20 IIBD C[C@H](OC(=O)[C@@H]1CCC(=O)[C@H](C)C1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 781321812 YIASMICXMWUYGH-GVXVVHGQSA-N 444.406 4.125 5 20 IIBD COc1cccc([C@H]2C[C@@H](C)CN2c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])c1 784181256 MALFZGHDTXFJMK-SJKOYZFVSA-N 426.441 4.187 5 20 IIBD Cc1cc(NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1C(=O)OC(C)(C)C 785159699 RPXQDMJYOGQXKM-UHFFFAOYSA-N 433.848 4.089 5 20 IIBD CC(C)(C)c1cnc(CCC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)o1 786213209 CGGRSNOVKLWPKV-UHFFFAOYSA-N 443.378 4.014 5 20 IIBD COc1cccc([C@H](C)NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c1 790672592 KZYWUWKHUFBOHG-LBPRGKRZSA-N 434.290 4.195 5 20 IIBD Cc1cccc(C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)c1[N+](=O)[O-] 794810071 SNHIPMVRWMEQFW-UHFFFAOYSA-N 427.457 4.285 5 20 IIBD Cc1nc(SC(F)F)sc1CC(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 795942917 ZFYLSDOOPSAREV-UHFFFAOYSA-N 442.425 4.010 5 20 IIBD CC(C)(C)OC(=O)NCc1ccccc1OS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 795988462 ZWGPUKVXILZHJC-UHFFFAOYSA-N 442.877 4.041 5 20 IIBD CC(C)(C(=O)OCc1nnc(-c2ccccc2Br)o1)c1ccccc1[N+](=O)[O-] 796442445 NNOTZJJLCOYMST-UHFFFAOYSA-N 446.257 4.428 5 20 IIBD C[C@H](NC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])c1nc2ccccc2s1 796484409 YGUFSMQHZPMTMW-NSHDSACASA-N 449.330 4.281 5 20 IIBD CC(C)[C@H](C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1cccnc1 797904636 PTVKQTPSVKMHPK-PXAZEXFGSA-N 439.390 4.319 5 20 IIBD CC(C)(C)OC(=O)NCc1nc(COc2ccc(Cc3ccccc3)cc2[N+](=O)[O-])no1 799887526 BEUCWYNJYREDDO-UHFFFAOYSA-N 440.456 4.172 5 20 IIBD O=C(Nc1cccc(Br)c1)C1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 801522642 XYAKMIZFUBGAMZ-UHFFFAOYSA-N 436.281 4.347 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCC[C@H]2COC(=O)NC2CCCCC2)cc1[N+](=O)[O-] 805172905 RZLGYGAVCAWAFG-LPHOPBHVSA-N 432.521 4.197 5 20 IIBD Cc1cc(Br)c(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1Cl 805600389 NIGWTKLWOVTTFD-UHFFFAOYSA-N 445.628 4.254 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCCN2c3ccccc3C[C@@H]2C1 809883777 SEIRKIOFVASDJB-OAHLLOKOSA-N 431.290 4.026 5 20 IIBD C[C@H](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccc(S(=O)(=O)N(C)C)cc1 809972133 RPOBKRKOIGGJBJ-NSHDSACASA-N 432.329 4.003 5 20 IIBD CC(C)c1cccc(C(=O)OCc2cc(I)cc([N+](=O)[O-])c2)n1 811038794 QZMVBVAEYVNXFL-UHFFFAOYSA-N 426.210 4.075 5 20 IIBD Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 812989991 VSHZKPUCINBBQT-OAHLLOKOSA-N 440.308 4.364 5 20 IIBD O=C(O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)[C@H](F)c1ccc(C(F)(F)F)cc1 813172213 HMCXZJRFKTTXOZ-ZWKOTPCHSA-N 426.366 4.442 5 20 IIBD O=C(O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)c1cc(OCc2ccccc2)ccn1 813172428 LRJDCJSPGSQQLB-QFIPXVFZSA-N 433.464 4.000 5 20 IIBD CC(C)(C)OC(=O)NC[C@@]1(C)CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 813246588 FDYAZZCBEMFMEX-GOSISDBHSA-N 432.304 4.279 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc(N2CCCNC2=O)cc1 816782315 RQVAPXQLHAYBTB-LBPRGKRZSA-N 436.390 4.024 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cccc(C4OCCO4)c3)cc2[N+](=O)[O-])C1 819532023 PRBYKEGHUVROFD-IYBDPMFKSA-N 425.485 4.375 5 20 IIBD CC(C)Oc1ccc(NC(=N)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 849055915 KZGPJBHZXFBVIX-UHFFFAOYSA-N 425.411 4.449 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1cc(C2CC2)[nH]n1 913344918 CVVJGHIFZFNAHI-LJQANCHMSA-N 440.843 4.386 5 20 IIBD O=C(c1cc(-c2ccccn2)nc2ccccc12)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 917182583 QOQNHBFLUXMKGF-UHFFFAOYSA-N 439.475 4.167 5 20 IIBD Cc1ccc(OS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c([N+](=O)[O-])c1 919927563 ZAWXJAGWHXLKQG-UHFFFAOYSA-N 430.413 4.062 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(CCC[S@](=O)c3ccc(Br)cc3)o2)c1 1261425600 FAYAWTKZTCTHGE-SANMLTNESA-N 436.287 4.148 5 20 IIBD O=C(NCc1ccc(-n2cnc3ccccc32)nc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 1319366137 ZAQGXWIWZDTFLG-UHFFFAOYSA-N 442.479 4.203 5 20 IIBD Cc1ccc(OS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)c2c1[C@H](C)CC2=O 1319380515 QQTJYRFBFBYTMP-SNVBAGLBSA-N 440.271 4.123 5 20 IIBD COc1ccc2[nH]c(C)c(C(=O)O[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2c1 1340853524 DOKIYPNKVVXLKO-LLVKDONJSA-N 431.832 4.231 5 20 IIBD O=C(Nc1nc(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)cs1)c1ccccc1F 1341252153 CNUWSHMSFVHYCC-UHFFFAOYSA-N 425.401 4.084 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccoc3Cl)CCC2)cc1)c1ccc([N+](=O)[O-])o1 1785749674 HTSUIGGSJVWBHL-UHFFFAOYSA-N 429.816 4.496 5 20 IIBD CCOCCC(=O)NC1(c2ccc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])cc2)CCC1 1792319206 KTPXFCJHXDJDKK-MDWZMJQESA-N 437.496 4.169 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2occc2c1)c1cccc(F)c1[N+](=O)[O-] 1797566309 KSPTYWTTXCOWML-BJWYYQGGSA-N 437.427 4.046 5 20 IIBD Cc1cccc(Cl)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1F 1800353329 UZNVDPGJFVEATR-QDMKHBRRSA-N 445.878 4.261 5 20 IIBD Cc1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(C)CCC3)[nH]n2)cc1[N+](=O)[O-] 1820915890 FFNJTDDSHMOTHB-SFHVURJKSA-N 439.516 4.051 5 20 IIBD C/C=C(/C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CSc2ccccc2[N+](=O)[O-])CC1 1831352045 YWMZEPZMXPNCBP-VONMMYEESA-N 445.585 4.273 5 20 IIBD Cc1cc(C)cc(C(=O)N2CC3(CCCN3C(=O)C3(c4cccc([N+](=O)[O-])c4)CCC3)C2)c1 1845143633 WSDPRWMOEBEIPL-UHFFFAOYSA-N 447.535 4.151 5 20 IIBD C[C@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Br)cc1 1931523 VQBSJQVEWWSBGK-VIFPVBQESA-N 427.638 4.195 5 20 IIBD Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N2CCCCCC2)n1 3520594 WWUOPACPVWDWGS-UHFFFAOYSA-N 435.527 4.070 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCOCC2)c2ccncc12 9681931 DQWOBUJEVNIPTO-OAHLLOKOSA-N 438.509 4.099 5 20 IIBD Cc1sc2nc([C@@H](C)OC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)[nH]c(=O)c2c1C 10734029 NGEXPVQFRUSAGD-GFCCVEGCSA-N 442.497 4.028 5 20 IIBD CSc1ccc(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1[N+](=O)[O-] 12393105 UDVUPUOHDQVJKC-UHFFFAOYSA-N 439.459 4.294 5 20 IIBD CNc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1[N+](=O)[O-] 15344458 UUAJURQXZWGMFW-UHFFFAOYSA-N 430.508 4.184 5 20 IIBD O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 15383381 SWLZGKULMLEOGZ-UHFFFAOYSA-N 449.216 4.278 5 20 IIBD O=C(CN1CCN(c2ccccc2[N+](=O)[O-])CC1)Nc1c(Cl)cc(Cl)cc1Cl 16565217 PDZDZLTWYIKYTA-UHFFFAOYSA-N 443.718 4.316 5 20 IIBD O=C(CSc1nc2ccccc2c(=O)n1C1CC1)Nc1cc([N+](=O)[O-])ccc1Cl 18964444 JMRUEFYYRQEVHV-UHFFFAOYSA-N 430.873 4.024 5 20 IIBD COc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)cc1OC 29143900 JZCSATFMBUQKCJ-UHFFFAOYSA-N 444.425 4.204 5 20 IIBD Cc1cc(C)c(-c2cc(NC(=O)Cn3cnc([N+](=O)[O-])c3)n(-c3ccccc3)n2)cc1C 31804631 PFNBBMNHGHOQNN-UHFFFAOYSA-N 430.468 4.208 5 20 IIBD Cc1nc2ccccc2n1CCNC(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 61528950 SGICOMPBQRWKRF-CALCHBBNSA-N 435.528 4.165 5 20 IIBD O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 63594181 PQLJAQQIQJZDEP-UHFFFAOYSA-N 447.373 4.091 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1 64725521 XAJISMDPRXIUKU-OAHLLOKOSA-N 442.903 4.497 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2nnc(-c3ccc(C)cc3C)s2)cc([N+](=O)[O-])c1 65083791 BAKVCFKGTJCSKC-UHFFFAOYSA-N 426.454 4.159 5 20 IIBD O=C(Nc1cccc(COCCc2ccccc2)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 65092894 ZHMBBSYKWRCHGB-UHFFFAOYSA-N 443.463 4.187 5 20 IIBD CCOc1cc(C(=O)NC2(c3ccc(Br)cc3)CC2)c([N+](=O)[O-])cc1OC 71945291 SEOLEJVOHISERW-UHFFFAOYSA-N 435.274 4.184 5 20 IIBD Cc1cc(=O)c(C(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)nn1-c1ccccc1[N+](=O)[O-] 107891401 VGINCAYBFDDWHM-OAQYLSRUSA-N 438.459 4.105 5 20 IIBD O=C(N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 195719563 XAZOGMABKGGUBF-QHCPKHFHSA-N 438.447 4.176 5 20 IIBD O=C(NCc1cccc(NC(=O)C2CCCCC2)c1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 303466677 MRZFWOLRWDDLQG-UHFFFAOYSA-N 448.479 4.297 5 20 IIBD COc1cc(CN[C@H](C)[C@@H]2OCCc3sccc32)c([N+](=O)[O-])cc1OCC(F)F 429121530 GXBWTCOTNLMBSN-WYRIXSBYSA-N 428.457 4.101 5 20 IIBD CC(=O)Nc1ccc(NC(=O)CNC(C)(C)c2ccccc2[N+](=O)[O-])c(C(F)(F)F)c1 429241655 XXBBVBQELOXTOC-UHFFFAOYSA-N 438.406 4.035 5 20 IIBD Cc1cccc(-c2ccc(CNC(=O)c3ccc(N4C(=O)CCC4=O)c([N+](=O)[O-])c3)cc2)c1 431776952 VGXZJCJBRHGJJO-UHFFFAOYSA-N 443.459 4.154 5 20 IIBD Cn1ccnc1[C@@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 431869700 QUWNFRQQBPXYML-SFHVURJKSA-N 427.892 4.306 5 20 IIBD O=C(NCc1nccn1CCc1ccccc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 434377204 LPXSXFMOQAPJMO-UHFFFAOYSA-N 433.493 4.088 5 20 IIBD COc1ccc(C2(NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)CCOCC2)cc1F 436460087 TXXJKRARXWUYHO-AWEZNQCLSA-N 434.489 4.045 5 20 IIBD C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H](OC1CCOCC1)c1ccccc1 437816337 ABUMPDUBHFWGMP-QRQCRPRQSA-N 432.904 4.232 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl 439764185 JKSWHKIKWGNAOO-SECBINFHSA-N 444.246 4.255 5 20 IIBD Cc1cc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)nn1-c1cccc(F)c1 444288603 LTBGAHKIELYXOO-UHFFFAOYSA-N 448.404 4.845 5 20 IIBD Cc1c(Br)cc(-c2nc(COCC(F)(F)C(F)F)no2)cc1[N+](=O)[O-] 445766439 LOFUWQSVZFXVHD-UHFFFAOYSA-N 428.136 4.133 5 20 IIBD COc1cc(C(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)c([N+](=O)[O-])cc1OCc1cscn1 460577372 SKTOKVRUJACEID-QLFBSQMISA-N 431.514 4.338 5 20 IIBD Cc1ccccc1-c1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1C[C@@H]1CCCCO1 461815867 OPAJWAHOSMMEOG-NRFANRHFSA-N 433.512 4.294 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1CNc1cccc(S(=O)(=O)N2CCCCC2)c1 462196417 AQFBTFHLIWJPJG-UHFFFAOYSA-N 433.530 4.169 5 20 IIBD CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 463061720 RPCXGVGYBXHOIY-VFNWGFHPSA-N 429.904 4.054 5 20 IIBD Cc1ccc(-c2nnc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc34)s2)c(C)c1 464416751 JZOJYZNMKLYLDM-UHFFFAOYSA-N 441.494 4.079 5 20 IIBD NC(=O)c1cc(NC(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)c[nH]1 465045617 CWEQBXGMTPLMDN-ZROIWOOFSA-N 447.476 4.201 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N[C@@H](c1cccc(F)c1)C1CCCC1 465279389 YRJFZUCGOXSMOQ-HXUWFJFHSA-N 433.867 4.165 5 20 IIBD Cc1cc(=O)c(C(=O)Nc2ccc(OCCC(C)C)cc2)nn1-c1ccccc1[N+](=O)[O-] 465350248 MKNDKSDRZROYRD-UHFFFAOYSA-N 436.468 4.126 5 20 IIBD CC(C)c1cnc(-c2ccc(NC(=O)C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)cc2)o1 467842916 SYEOHZRUBMCVMP-UHFFFAOYSA-N 442.859 4.282 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(C)c(I)c1 470730236 QCKREDAPBZJUQH-UHFFFAOYSA-N 426.210 4.159 5 20 IIBD Cc1c(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cccc1NC(=O)N(C)C 471338901 YDKUVHCEKBZYJL-UHFFFAOYSA-N 435.278 4.320 5 20 IIBD COc1ccc(CNC(=O)Nc2cccc(CCC(=O)OC(C)(C)C)c2)cc1[N+](=O)[O-] 471354201 RTNFSGARTHMYSW-UHFFFAOYSA-N 429.473 4.199 5 20 IIBD O=C(CN1CCCC[C@H]1c1ncc(-c2ccccc2)[nH]1)N1CCc2ccc([N+](=O)[O-])cc21 472609289 QFZBHABWKWYDOC-NRFANRHFSA-N 431.496 4.101 5 20 IIBD CCOc1cc(NC(=O)NC(C)(C)c2nc3ccccc3n2C)c([N+](=O)[O-])cc1OCC 473489047 QPIAGCUGZDQAMG-UHFFFAOYSA-N 441.488 4.336 5 20 IIBD O=[N+]([O-])c1ccc(CCS(=O)(=O)NCc2nc(-c3cc4ccccc4o3)cs2)cc1 476204422 ZIBRDHZSXJZFBJ-UHFFFAOYSA-N 443.506 4.127 5 20 IIBD Cn1cnc([N+](=O)[O-])c1CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 476500217 NUZFHUHDQFZSTO-UHFFFAOYSA-N 440.916 4.446 5 20 IIBD O=C(CN1CCO[C@@H](c2ccc(F)cc2Cl)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] 481593914 GCENGDAQNMABDW-QGZVFWFLSA-N 428.247 4.053 5 20 IIBD Cc1nc2cc(F)c(F)cc2n1CC(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 483984654 SSEMAUOINXLIEV-UHFFFAOYSA-N 443.435 4.318 5 20 IIBD COc1cc(C(=O)Nc2ncc(Cl)cc2C)c([N+](=O)[O-])cc1OCc1cscn1 485084354 HOTZRJZOACSAPK-UHFFFAOYSA-N 434.861 4.248 5 20 IIBD COc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)c2ccccc2)cc1Br 485261705 YVNVXMYWBFEJGS-SFHVURJKSA-N 431.242 4.478 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)S(=O)(=O)Cc1ccc(I)cc1 485315576 HIOSNINGSBEZOH-LBPRGKRZSA-N 445.278 4.184 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CN1C(=O)[C@@H](c2ccccc2)N(Cc2ccccc2)C1=O 485378521 YDTPPHWWYVHXRN-JOCHJYFZSA-N 431.448 4.309 5 20 IIBD COC(=O)COc1ccc(CNc2ccc(Oc3cccc(F)c3F)nc2)cc1[N+](=O)[O-] 485977232 SYZLKZNIASPHTB-UHFFFAOYSA-N 445.378 4.224 5 20 IIBD CCCc1nc(C)c(CNc2ccc(C(=O)c3ccccc3C(=O)OC)cc2[N+](=O)[O-])o1 488765320 LTLJNSFBUTWISF-UHFFFAOYSA-N 437.452 4.473 5 20 IIBD CCOC(=O)[C@H](Cc1ccccc1)Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC 489436617 YEMCNYJBRLXYRV-SFHVURJKSA-N 426.498 4.140 5 20 IIBD COc1cc(CN(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c([N+](=O)[O-])cc1OCC(F)F 490428295 CUDLATRDLBGMPQ-GNDSEDMPSA-N 442.484 4.178 5 20 IIBD COc1ccccc1NC(=O)C1CCN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 493153254 LWNQUGCPIZNUGE-INIZCTEOSA-N 440.500 4.033 5 20 IIBD Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] 493408653 CYHXKITWBGQFJP-UHFFFAOYSA-N 436.917 4.149 5 20 IIBD COc1cc(CN[C@H]2CCN([C@@H](C)c3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)F 494699070 YUPMDEMETDCYJB-YJBOKZPZSA-N 435.471 4.172 5 20 IIBD COc1cc(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)ccc1OCc1ccccc1 497420215 XPHIUXOWIZCWRE-UHFFFAOYSA-N 445.475 4.454 5 20 IIBD COc1cc(CCNC(=O)N2CCC[C@@H](c3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1OC 498135338 GVGOAQNVVRDTHD-MRXNPFEDSA-N 445.491 4.273 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3)cc1 501040458 ZYKFYYFXBPUIGC-AWEZNQCLSA-N 447.447 4.381 5 20 IIBD COc1cc(CN2CCC[C@@H]2Cn2cnc3ccccc32)c([N+](=O)[O-])cc1OCC(F)F 505607606 UURZLRUKCBDIBW-MRXNPFEDSA-N 446.454 4.262 5 20 IIBD COc1cc(CCNC(=O)NCCc2cccc(Cl)c2Cl)c([N+](=O)[O-])cc1OC 506179936 ZPOADYGFMRQHIS-UHFFFAOYSA-N 442.299 4.003 5 20 IIBD COc1c(F)cc(S(=O)(=O)Nc2ccc3nc(C(F)F)sc3c2)cc1[N+](=O)[O-] 507615301 YLRJFJSHSSEJSS-UHFFFAOYSA-N 433.389 4.091 5 20 IIBD CCc1nc(NC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])sc1C 509960175 UOOXXRCSVNESMI-UHFFFAOYSA-N 434.499 4.219 5 20 IIBD Cc1ccccc1-c1cc(NC(=O)CCn2cc([N+](=O)[O-])cn2)n(Cc2ccccc2)n1 511622160 BONIDSQJCLMYAY-UHFFFAOYSA-N 430.468 4.040 5 20 IIBD Cc1c(Br)cc(C(=O)NCCc2nc(-c3ccccn3)cs2)cc1[N+](=O)[O-] 511854286 PNMLKGAYEMXHQH-UHFFFAOYSA-N 447.314 4.157 5 20 IIBD CS(=O)(=O)c1cc(C(=O)N(Cc2ccccc2Cl)C2CCCC2)cc([N+](=O)[O-])c1 511893754 ZGRBIOFQCKHNLD-UHFFFAOYSA-N 436.917 4.237 5 20 IIBD O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 512076075 KZNVFGMHDUOERS-UHFFFAOYSA-N 432.402 4.053 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CC(N(C)Cc3ccccc3)C2)cc1[N+](=O)[O-])c1ccccn1 512416789 WHXCVLPNOGPXOW-GOSISDBHSA-N 445.523 4.119 5 20 IIBD COC(=O)COc1ccc(CNc2ccc(N3CCCCCC3)cc2C)cc1[N+](=O)[O-] 512869189 OPBOANOJZMVTLE-UHFFFAOYSA-N 427.501 4.448 5 20 IIBD CO[C@@H](C)CN(C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 513252444 KRALTOSZUAVPTG-SCLBCKFNSA-N 436.306 4.004 5 20 IIBD C[C@H](NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccccc1Oc1ccccc1 513556078 BPBBHHNFCOXFEN-HNNXBMFYSA-N 440.477 4.282 5 20 IIBD C[C@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 516342147 RVLMKZUKUURJQW-ZDUSSCGKSA-N 437.905 4.064 5 20 IIBD COc1cc(CN2CC[C@]3(CCc4ccccc4O3)C2)c([N+](=O)[O-])cc1OCC(F)F 517440296 OVRAYTNIAIQBET-JOCHJYFZSA-N 434.439 4.217 5 20 IIBD CN(Cc1cccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])c1)Cc1cscn1 518897096 WZCHNXHTEABOJM-UHFFFAOYSA-N 426.498 4.091 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(Cc1ccccc1)CC1CCOCC1 518899733 GHOFCFYKAOCRJD-INIZCTEOSA-N 432.904 4.471 5 20 IIBD C[C@H](NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc(Br)cc1F 520663559 OEGTXBONUMNPHV-NSHDSACASA-N 438.253 4.145 5 20 IIBD Cc1ccc(C[C@@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c2ccccn2)cc1 522329042 ODLJVHIBTOHEHK-HSZRJFAPSA-N 427.464 4.198 5 20 IIBD COc1ccc(-c2nc(C)c([C@H](C)NC(=O)Cc3ccc(OC)c([N+](=O)[O-])c3)s2)cc1 524322032 VOBYLJBIKJQKRX-ZDUSSCGKSA-N 441.509 4.464 5 20 IIBD CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H](c1ccc(C)cc1)n1cncn1 533754805 LFXLYAURYZWBPC-OALUTQOASA-N 447.417 4.312 5 20 IIBD O=C(N[C@@H](C(=O)O)c1ccc(Cl)c(F)c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 537365136 DQGLKUGJEOAJER-OAHLLOKOSA-N 435.820 4.067 5 20 IIBD COc1cc(CN2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c([N+](=O)[O-])cc1OC 537620934 KJPZMHHRKDALEX-LLVKDONJSA-N 431.436 4.467 5 20 IIBD Cc1ccc(C(C)C)c(Oc2ccc(CN3CCc4nn(C)c(=O)cc4C3)cc2[N+](=O)[O-])c1 537687090 BNZKKEACXSIQES-UHFFFAOYSA-N 448.523 4.471 5 20 IIBD COc1cc(C(=O)Nc2cccc(CCN3CCCC3)c2)c([N+](=O)[O-])cc1OC(F)F 537699361 NIZGNVAQXGZYRA-UHFFFAOYSA-N 435.427 4.095 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 541890464 KCUKGWPBXKMSOI-UHFFFAOYSA-N 443.934 4.374 5 20 IIBD O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 542866096 PIPUEZXNRSETEH-BBRMVZONSA-N 430.766 4.249 5 20 IIBD O=[N+]([O-])c1cc2c(cc1Cc1nc(Cc3c[nH]c4cc(Cl)ccc34)no1)OCCO2 544345577 DOOZJVPETXDANP-UHFFFAOYSA-N 426.816 4.065 5 20 IIBD O=C1CCCN1Cc1ccccc1-c1noc(-c2ccc([N+](=O)[O-])cc2Br)n1 545569644 MSCDBCAZVMOTOB-UHFFFAOYSA-N 443.257 4.197 5 20 IIBD COc1ccc(CSCc2nc(-c3ccc(N4CCCC4)cn3)no2)cc1[N+](=O)[O-] 547200301 LNJFDIACSYILFB-UHFFFAOYSA-N 427.486 4.082 5 20 IIBD O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C(=O)NCc1cccc([N+](=O)[O-])c1 550619099 PYWRDLXMYMCXKJ-QGZVFWFLSA-N 437.283 4.214 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] 551767981 IQSCALNPAIXKER-PXNSSMCTSA-N 443.475 4.006 5 20 IIBD COc1ccc(Cn2cc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)cn2)cc1 552458224 XLMULAWUEGELAU-UHFFFAOYSA-N 449.511 4.337 5 20 IIBD O=C(Cc1ccc(Nc2ncnc3sc([N+](=O)[O-])cc23)cc1)N1CCc2ccccc21 552998258 YNJRKULUDWRZIV-UHFFFAOYSA-N 431.477 4.475 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)Nc1nc(O)c2cc([N+](=O)[O-])ccc2n1 553363502 NLHRVDLPJVWVCC-LLVKDONJSA-N 425.445 4.988 5 20 IIBD CC(C)Oc1ccc([C@@H](CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 554038224 CXLJSKVAJPEJFU-HRAATJIYSA-N 431.558 4.282 5 20 IIBD O=C(C1CCN(c2ncnc3sc([N+](=O)[O-])cc23)CC1)N(Cc1ccccc1)C1CC1 557587846 FITQIMQZRDGQAF-UHFFFAOYSA-N 437.525 4.007 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O 559319572 WKPVTNUPOGKWHG-UHFFFAOYSA-N 445.431 4.037 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)NCc2ccc(F)cc2C(F)(F)F)cc1[N+](=O)[O-] 560169506 BGEIWDXPACNDFY-UHFFFAOYSA-N 441.381 4.305 5 20 IIBD CCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 569735241 PTRVGADSAPQVGR-UHFFFAOYSA-N 425.388 4.377 5 20 IIBD COc1cc(CCNC(=O)C2(c3ccccc3OC)CCCCC2)c([N+](=O)[O-])cc1OC 571770948 OIPAGHNJYJWOHH-UHFFFAOYSA-N 442.512 4.181 5 20 IIBD CCCc1[nH]nc(C(=O)N[C@H]2CCCc3c2[nH]c2ccc(Br)cc32)c1[N+](=O)[O-] 576870619 BQTIRNASOXXVFA-AWEZNQCLSA-N 446.305 4.322 5 20 IIBD CC1CCN([C@@H](CN[C@@H](c2ccc([N+](=O)[O-])cc2)c2nccn2C)c2ccccc2)CC1 581899899 PJSLXXIGANAUIY-ZEQRLZLVSA-N 433.556 4.481 5 20 IIBD COc1cc(C(=O)N2CCC(Oc3ccc(C(C)C)cc3)CC2)c([N+](=O)[O-])cc1OC 603814388 CFCWHARBQBELIN-UHFFFAOYSA-N 428.485 4.419 5 20 IIBD O=C(NCCc1ccc(OCc2ccccc2)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 603909439 NILCJRIBCFPVFY-UHFFFAOYSA-N 442.475 4.332 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)cc1C 604277146 QCUBWYUWVTZKJZ-UHFFFAOYSA-N 439.465 4.338 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC2(CCCCC2)CC1 608820470 CNXOEHZPGMHYKI-LJQANCHMSA-N 433.574 4.019 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)Cc1c[nH]c2cc(Cl)ccc12)c1ccccc1[N+](=O)[O-] 609019753 JERGMXOGPSYZMT-LJQANCHMSA-N 443.887 4.471 5 20 IIBD O=C([C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)N1CCc2c1cccc2[N+](=O)[O-] 609974028 ZQBDDJJZENPWQT-GOSISDBHSA-N 434.279 4.096 5 20 IIBD CCc1cc(O)nc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3Br)c2)n1 610041063 OGQYCSNHODGTPQ-UHFFFAOYSA-N 443.257 4.335 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCc2sc(Br)cc2C1 610935043 ARBJAXPEVQPDKY-VIFPVBQESA-N 445.722 4.424 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC[C@@H](C(C)(C)C(=O)O)C3)cc2[N+](=O)[O-])C1 611478426 BBDYUUWSOBAYHC-JFIYKMOQSA-N 431.533 4.040 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(F)ccc2N2CCCCC2)c2ncccc12 613340855 ACCQMUGOAKNTDD-UHFFFAOYSA-N 430.461 4.073 5 20 IIBD O=C(Nc1cccc(Cn2cccn2)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 681959669 XQLGLMVBUSDRJZ-UHFFFAOYSA-N 430.414 4.457 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc1[N+](=O)[O-] 727490943 XFXSBYDNLGLFIT-QGZVFWFLSA-N 440.239 4.332 5 20 IIBD Cc1ccc(Cn2nc(C)c(CCC(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)c2C)cc1 733552110 TUIZAPDNXIOPNW-UHFFFAOYSA-N 435.480 4.124 5 20 IIBD O=C(O[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1cc(Cl)ccc1[N+](=O)[O-] 733820438 ZAJICDAAYROFAS-HNNXBMFYSA-N 444.749 4.109 5 20 IIBD O=C(Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1)c1cc(F)cc([N+](=O)[O-])c1 735637219 DTQRCMNYTRKLAN-UHFFFAOYSA-N 437.343 4.340 5 20 IIBD CN(Cc1ccccc1NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C 737001213 VVTFUSRAWFLOEC-UHFFFAOYSA-N 443.504 4.195 5 20 IIBD COc1cc(N2CCC(OC(=O)CSCc3cccc(C)c3)CC2)ccc1[N+](=O)[O-] 739383634 AAWFHJCOSKCUFY-UHFFFAOYSA-N 430.526 4.357 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Br)cc2)C[C@@H](C)O1 739535730 DHCPRPGDIKSILT-BETUJISGSA-N 434.290 4.223 5 20 IIBD C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 741999269 OEAPXKLYIHZCDH-LXYJIPTKSA-N 444.329 4.276 5 20 IIBD Cc1cc([C@](C)(O)CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c(C)o1 743508293 NMVSVYWVPAAWOP-NPMXOYFQSA-N 438.484 4.010 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3c(C)nn(C(C)(C)C)c3C)CC2)ccc1[N+](=O)[O-] 744205255 WSJKQSOQLPJVOA-UHFFFAOYSA-N 444.532 4.388 5 20 IIBD COc1ccc(OCCOC(=O)c2ccc(NC(=O)c3cccs3)cc2)c([N+](=O)[O-])c1 744511160 VHFUJQRNNZTZEF-UHFFFAOYSA-N 442.449 4.153 5 20 IIBD COc1ccc(CSCC(=O)OCC(=O)Nc2sc(C)c(C)c2C)cc1[N+](=O)[O-] 744695263 JIHJHKBBUNUEAY-UHFFFAOYSA-N 438.527 4.005 5 20 IIBD O=C(COC(=O)c1ccc(OCc2cccnc2)cc1)Nc1ccc([N+](=O)[O-])cc1Cl 746953744 KENSAHCDFZIIPW-UHFFFAOYSA-N 441.827 4.018 5 20 IIBD O=C(NCCc1ccc(F)c(Br)c1)c1cc([N+](=O)[O-])ccc1Br 751099673 ZCJKXOOSJRYARB-UHFFFAOYSA-N 446.070 4.231 5 20 IIBD Cc1csc(-c2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(F)c([N+](=O)[O-])c4)C3)cc2)n1 751237475 JEMYFLNLSCUMCW-AWEZNQCLSA-N 440.456 4.157 5 20 IIBD O=C(N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1cc(F)cc([N+](=O)[O-])c1Br 753758584 ACDPEVOJUHNGMN-LRDDRELGSA-N 437.265 4.394 5 20 IIBD O=C(OCC[C@@H]1CCOC1=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 754071355 XHGZVTPATFWRFN-LBPRGKRZSA-N 444.490 4.466 5 20 IIBD Cc1cc(-n2c(C)cc(C(=O)COC(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)c2C)no1 754991758 ZRPYJIXPHZQHNI-UHFFFAOYSA-N 435.795 4.131 5 20 IIBD C[C@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1nc(-c2ccccc2)no1 756526656 KWFFRJBLNHTBMI-NSHDSACASA-N 432.230 4.254 5 20 IIBD O=C(COC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccccc1-c1ccccc1 758738566 RONFPGOEEPGXJY-UHFFFAOYSA-N 429.432 4.468 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)c1F 760341632 DXANMQWBLPKAFM-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1F 764162482 STBNPTMQHSPTFF-IBGZPJMESA-N 442.447 4.290 5 20 IIBD O=C(NCc1cccc(N2CCCS2(=O)=O)c1)c1c2ccccc2cc2ccccc12 765225354 OIBYGILSMLJCCH-UHFFFAOYSA-N 430.529 4.463 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 765524354 KOEBWTRTUOBLMK-IEBWSBKVSA-N 439.512 4.334 5 20 IIBD O=C(c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2)N1CCc2c(-c3ccccc3)cccc21 766676006 ORBJPECNNRWOST-UHFFFAOYSA-N 447.403 4.144 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)cc([N+](=O)[O-])c1F 768271664 FCPLAHNRWDHPDY-UHFFFAOYSA-N 438.824 4.079 5 20 IIBD Cc1cc(-c2noc(-c3ccc(OS(=O)(=O)c4cccc([N+](=O)[O-])c4)cc3)n2)c(C)o1 771616547 SJOMFWDLTRUHEI-UHFFFAOYSA-N 441.421 4.289 5 20 IIBD COc1cc(Cc2noc(-c3nc(-c4ccccc4F)oc3C)n2)c([N+](=O)[O-])c(OC)c1 771749869 YZJCUFMLBYHZCF-UHFFFAOYSA-N 440.387 4.355 5 20 IIBD CCOc1ccc(-c2nc(CS(=O)(=O)Cc3cc([N+](=O)[O-])ccc3Cl)co2)cc1 772840030 DARMAEYICXDRIU-UHFFFAOYSA-N 436.873 4.417 5 20 IIBD CC(C)(C)OC(=O)N1CCc2ncc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2C1 773404929 DEZRQJNTCMPJGN-UHFFFAOYSA-N 432.864 4.189 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)OC[C@@H]1CC(=O)N(Cc2ccccc2)C1 775248430 CAOCPGBGKFXILX-QGZVFWFLSA-N 428.510 4.301 5 20 IIBD O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 776399217 NGXHAJSPUMHMPE-UHFFFAOYSA-N 447.709 4.199 5 20 IIBD CSc1cccc(C(=O)OCC(=O)N[C@@H](c2ccccc2)c2cccs2)c1[N+](=O)[O-] 777075799 ZQKPDOCBUFWYRX-IBGZPJMESA-N 442.518 4.441 5 20 IIBD COc1cc(CN2CCC[C@H]2C[C@H](O)c2cccs2)c([N+](=O)[O-])cc1OCC(F)F 779027933 DYPFTPLXEMKQJO-HOCLYGCPSA-N 442.484 4.397 5 20 IIBD COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1 782811558 VAWOJAHBTAGUDS-UHFFFAOYSA-N 439.399 4.256 5 20 IIBD O=c1cc(-c2ccccc2)c2ccc(OC[C@@H](O)COc3ccccc3[N+](=O)[O-])cc2o1 783915463 JJDSMLOLFNKVCV-QGZVFWFLSA-N 433.416 4.187 5 20 IIBD COc1ccc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(OCC(C)C)c1 789222031 IVNPULUFENYTQY-UHFFFAOYSA-N 436.848 4.087 5 20 IIBD O=[N+]([O-])c1ccc(CSc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)c([N+](=O)[O-])c1 789697818 VLPYEFJSZFFSBO-AWEZNQCLSA-N 447.498 4.294 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@@H]3CCC(=O)c4ccccc43)CC2)ccc1[N+](=O)[O-] 793162522 ZBOZTJSZZBFCQK-HXUWFJFHSA-N 438.480 4.266 5 20 IIBD Cc1ccc(F)c(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c1Br 795361061 IIQRVZLNZCNCPT-UHFFFAOYSA-N 441.637 4.398 5 20 IIBD COc1ccc(NC(=O)[C@H](OC(=O)c2cccc([N+](=O)[O-])c2OC)c2ccccc2)cc1 796305688 MCJQBOLGJCNHCV-HXUWFJFHSA-N 436.420 4.149 5 20 IIBD O=C(OCc1nc2ccc(Br)cc2o1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 803090688 NFLPVHUGTIBRBI-UHFFFAOYSA-N 443.213 4.041 5 20 IIBD CCN(CC)CCOC(=O)c1cccc(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 808827830 CFQZECBLZMZCSH-UHFFFAOYSA-N 433.892 4.308 5 20 IIBD CC(C)Cn1c(-c2ccc[nH]2)nnc1N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 812211045 RWDQCIROWFRQIQ-UHFFFAOYSA-N 445.321 4.163 5 20 IIBD CCOC(=O)c1cc([N+](=O)[O-])c(NCc2ccc3cnn(C)c3c2)cc1Br 812477900 HITUQDKXLWPCNA-UHFFFAOYSA-N 433.262 4.033 5 20 IIBD Cc1c(Br)cc(C(=O)OCc2ccnc(Br)c2)cc1[N+](=O)[O-] 815222939 SYDYYXHQYGDYAF-UHFFFAOYSA-N 430.052 4.180 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@H](c1ccccc1)[C@@H](O)c1ccccc1 816791644 YMEVNOWDHNIQDQ-NOZRDPDXSA-N 443.459 4.113 5 20 IIBD COc1ccc(CN(C)C(=O)[C@H](C)Sc2nc3ccc([N+](=O)[O-])cc3s2)cc1OC 827007041 YLRLOVBFRYOPNU-LBPRGKRZSA-N 447.538 4.361 5 20 IIBD Cc1cccc(-n2ncc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)c2C(F)(F)F)c1 904900901 SLKCWATUQLHQPR-UHFFFAOYSA-N 433.342 4.147 5 20 IIBD O=C(Cc1ccccc1[N+](=O)[O-])N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 912889833 XLKHBVKMWHMBAN-UHFFFAOYSA-N 430.504 4.312 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(Cc1ccc(F)cc1F)C1CCCC1 915663667 OMBGFBULZNWAHO-UHFFFAOYSA-N 448.422 4.044 5 20 IIBD C[C@@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(=O)NC12CC3CC(CC(C3)C1)C2 916541146 ZPQGSICKECRACK-HCVBEMKVSA-N 428.510 4.440 5 20 IIBD O=C(NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H](Sc1ccccc1)c1ccccc1 916783892 ANNZKAVLGLCDAV-HXUWFJFHSA-N 442.518 4.074 5 20 IIBD CCc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cnn1-c1ccc(Br)cc1 917608674 BEKRYXNCCQRNKW-UHFFFAOYSA-N 433.237 4.497 5 20 IIBD COc1ccc(OC(=O)[C@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)c([N+](=O)[O-])c1 919979087 RDQOKKMKJQRCOJ-HSZRJFAPSA-N 436.464 4.046 5 20 IIBD C[C@@H](Cc1nnc(COc2ccccc2[N+](=O)[O-])o1)C1CCN(C(=O)OC(C)(C)C)CC1 1118071187 QZHAYZWIWXPWCL-HNNXBMFYSA-N 446.504 4.383 5 20 IIBD Cc1cc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])nc(C)c1Br 1325137560 WWQQDBWKDCWFOC-UHFFFAOYSA-N 429.068 4.384 5 20 IIBD O=[N+]([O-])c1ccc(SC2CCCC2)c(-c2nnc(Cn3nnc(-c4ccccc4)n3)o2)c1 1341355762 UWXFJBQNHPHMGB-UHFFFAOYSA-N 449.496 4.381 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Oc3ccc(N4CCOC4=O)cc3)cc2[N+](=O)[O-])C1 1341788228 UWJZTBOSAAMNDX-HZPDHXFCSA-N 439.468 4.253 5 20 IIBD O=C(Cc1ccc(F)cc1)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1 1787760306 FAYPWHAHRZGGIB-UHFFFAOYSA-N 437.427 4.317 5 20 IIBD Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)C4(F)CC4)CCC3)cc2)cc1[N+](=O)[O-] 1790525173 FQEMYBUMPGYSDU-UHFFFAOYSA-N 425.460 4.082 5 20 IIBD Cc1ccoc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)cc([N+](=O)[O-])c1C 1800711102 SHEFJYLIHGOFBL-MUJYYYPQSA-N 431.876 4.024 5 20 IIBD Cc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccccc2C2CC2)cc1[N+](=O)[O-] 1803517948 FRFCEQAUOZUEJK-WKCHPHFGSA-N 447.535 4.275 5 20 IIBD Cc1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccccc3)[nH]n2)cc1[N+](=O)[O-] 1820918032 BSRWVTJICXAWDC-HXUWFJFHSA-N 447.495 4.175 5 20 IIBD O=C(C1CCCC1)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc([N+](=O)[O-])ccc2F)CC1 1824947331 ZAKYMMYNNMJOOQ-QFIPXVFZSA-N 445.535 4.086 5 20 IIBD Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)Cn1c2ccccc2c(=O)c2ccccc21 10723360 QOQQOZDAOYHGKB-SFHVURJKSA-N 428.488 4.342 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccc(O)cc1 11077734 YTWDOFLUOPZMNO-LJQANCHMSA-N 426.812 4.491 5 20 IIBD C[C@@H](Sc1nnc(N2CCCCC2)n1C1CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 11380214 RYOIWIQSLKKEMV-CYBMUJFWSA-N 441.517 4.415 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Sc1cc(Cl)ccc1Cl 15165940 UNBSITZUGKZRCY-UHFFFAOYSA-N 449.337 4.074 5 20 IIBD COc1ccc(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)cc1[N+](=O)[O-] 16011384 VVQHLELOPNJOHR-UHFFFAOYSA-N 430.848 4.358 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Sc2nnc(Nc3cccc(F)c3)s2)c([N+](=O)[O-])c1 18466886 CAOVWUMIPPWKOV-SNVBAGLBSA-N 449.489 4.457 5 20 IIBD COc1ccc(NC(=O)CCSc2nnc(NCc3ccccc3)s2)c([N+](=O)[O-])c1 26363381 HBZBUZYTHBGQBI-UHFFFAOYSA-N 445.526 4.188 5 20 IIBD CCOc1cc(C(=O)OCCOc2cccc(Br)c2)c([N+](=O)[O-])cc1OC 28000050 YNIWASXAVVAEBX-UHFFFAOYSA-N 440.246 4.000 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cnc3c(c2)c(C)nn3C)cc1 32952339 MRJWKBWUEAVLDE-UHFFFAOYSA-N 433.424 4.238 5 20 IIBD Cc1ccc(N(Cc2ccccc2)C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 36776582 RFJRWUQNBAIGBO-UHFFFAOYSA-N 435.505 4.328 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1cn(-c2ccccc2)nc1-c1ccncc1 61341324 IKIDFCYLCSWSCG-UHFFFAOYSA-N 445.504 4.251 5 20 IIBD C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 64897409 RJRITHOTGIFXQF-AWEZNQCLSA-N 434.481 4.132 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNCc3cccnc3N3CCOCC3)o2)c(Cl)c1 237818737 VZKAMXBEPCRLMC-UHFFFAOYSA-N 428.876 4.030 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCc3nc4ccccc4[nH]3)cc2[N+](=O)[O-])n1 255937894 VTWQKNFGUROWDN-UHFFFAOYSA-N 425.495 4.317 5 20 IIBD O=[N+]([O-])c1cc(Cl)c(N2CCN(c3nnc(C(F)(F)F)s3)CC2)c(Cl)c1 302495392 UINXETFPWIKUBV-UHFFFAOYSA-N 428.223 4.099 5 20 IIBD CC1(C)CC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c2ccccc21 303417709 BUTKKPKQDVKDRO-SJORKVTESA-N 427.526 4.190 5 20 IIBD CCS[C@H](C)c1noc(CN(C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 409701904 OICRHTICHNHQML-LLVKDONJSA-N 433.515 4.188 5 20 IIBD Cc1cnc([C@@H](C)NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)s1 427057036 MOJZJBGTBFLQID-CQSZACIVSA-N 438.509 4.148 5 20 IIBD COc1cccc(-n2ccnc2SCC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 427578309 OKOJQBHAELMVJM-UHFFFAOYSA-N 438.509 4.072 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@@H](c2ccccc2)C(F)(F)F)c2ncccc12 432307446 QNYMBNUPARHOKB-HNNXBMFYSA-N 439.415 4.158 5 20 IIBD CCn1cccc(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c1=O 433659271 JUIFDLSBBAEBQU-UHFFFAOYSA-N 427.844 4.152 5 20 IIBD Cc1c(NC(=O)NCCc2ccc(-n3cccn3)cc2)cc(Br)cc1[N+](=O)[O-] 435327383 GZVNKDZGLOIRBH-UHFFFAOYSA-N 444.289 4.216 5 20 IIBD COc1cccc(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)c1[N+](=O)[O-] 436021340 IBVYTXRFZSFOPJ-UHFFFAOYSA-N 435.274 4.050 5 20 IIBD O=C(Nc1ccc(CN2CCCC2=O)cc1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436070379 APQXYXMSSLJFJX-UHFFFAOYSA-N 447.441 4.334 5 20 IIBD CC(C)(C)c1nc(CN2CCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])CC2)cs1 436304338 DFOATLNPPFUVEL-UHFFFAOYSA-N 429.468 4.085 5 20 IIBD C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H](OC1CCOCC1)c1ccccc1 437816330 ABUMPDUBHFWGMP-IVZQSRNASA-N 432.904 4.232 5 20 IIBD CNC(=O)CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 439272542 KXFBNBFIHJHUJL-UHFFFAOYSA-N 437.418 4.125 5 20 IIBD C[C@H]1CN(c2ccc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc3)cn2)C[C@@H](C)O1 440592094 ADAPAGXKVLJVKO-KDURUIRLSA-N 446.507 4.450 5 20 IIBD Cc1cc(N2CCNC2=O)ccc1NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 443032351 AMEMRAIAEFUNQA-UHFFFAOYSA-N 448.429 4.050 5 20 IIBD Cn1c(CCCNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)nc2ccccc21 444036145 XUTVLQPIUWIKAK-UHFFFAOYSA-N 446.457 4.209 5 20 IIBD C[C@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@@H](C)CN1Cc1ccccc1 444299469 VKESKXIQVUMLLL-OALUTQOASA-N 425.532 4.416 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1nc2ccccc2n1C(F)F 444664725 NAXLYNMORTYJJF-LBPRGKRZSA-N 433.415 4.028 5 20 IIBD CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)[C@@H]2CCCC[C@H]12 444670520 YFZWOYVXCAUJAD-PATGGNKXSA-N 427.549 4.155 5 20 IIBD O=C(Cc1noc([C@@H]2CC[C@H]3CCCC[C@H]3C2)n1)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 445489753 GGUNFUQPIMEMRF-QLFBSQMISA-N 442.472 4.004 5 20 IIBD Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1sc(Br)cc1[N+](=O)[O-] 446021173 QNMPVGAEYJIIAN-UHFFFAOYSA-N 426.292 4.118 5 20 IIBD Cc1sc(NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)N3C)nc1-c1cccc([N+](=O)[O-])c1 446026380 RBJYECNFXPBADM-LLVKDONJSA-N 437.481 4.056 5 20 IIBD COc1ccc(OC(C)C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 447000602 MCNVKTDGUDDHKW-UHFFFAOYSA-N 434.392 4.210 5 20 IIBD CCc1c(NCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cnn1-c1ccccc1Cl 447891262 PSVYEFOYELUUDU-UHFFFAOYSA-N 429.864 4.056 5 20 IIBD CN(c1ccccc1)c1ccc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cn1 464632814 QJQJAZPPDFELTB-UHFFFAOYSA-N 432.480 4.441 5 20 IIBD Cc1nsc(N2CCCN(C(=O)c3ccc(SCCC(C)C)c([N+](=O)[O-])c3)CC2)n1 464689203 SKBAQVMTNUPWEV-UHFFFAOYSA-N 449.602 4.245 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(F)c3C)cc2)cc1[N+](=O)[O-] 465274304 KITPXEOTXIZHDT-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD Cc1nc(C)c(NC(=O)c2ccc(C(=O)Nc3sc(C)nc3C)c([N+](=O)[O-])c2)s1 465394649 LSCMTDPBODOWRV-UHFFFAOYSA-N 431.499 4.246 5 20 IIBD CC(C)(C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1ccc([N+](=O)[O-])cc1 468096279 KBARBMIJDLUQGU-JOCHJYFZSA-N 431.492 4.239 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nc2ccccc2n1CCc1ccccn1 470997468 ZBWRSUGUKXEGAP-UHFFFAOYSA-N 431.452 4.233 5 20 IIBD O=C(NCCc1cccc(-c2ccccc2)c1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 472197004 MZPXFTZODBTGBP-FQEVSTJZSA-N 449.532 4.287 5 20 IIBD CCCCOc1ccc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(Cl)c1 472301394 VAMWUOIUGODDMC-UHFFFAOYSA-N 445.903 4.025 5 20 IIBD CCc1ccc(-c2noc([C@@H](C)NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)n2)cc1 472664818 GXONBBJJAWLTKY-MRXNPFEDSA-N 449.511 4.301 5 20 IIBD Cc1cc(Br)c(F)cc1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 473863438 IYSLJCYMDSMYDG-UHFFFAOYSA-N 437.269 4.159 5 20 IIBD COC(=O)C[C@H](NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])c1ccc(Cl)cc1 477509110 QYCNYMIZIPOETK-AWEZNQCLSA-N 438.889 4.013 5 20 IIBD Cc1cccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1Br 478343464 PIYMVOYCRAXVPK-UHFFFAOYSA-N 425.304 4.019 5 20 IIBD O=C(CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)Nc1cccc(Br)c1 478354001 RFDYEZFBSQPJTE-UHFFFAOYSA-N 447.314 4.209 5 20 IIBD CCCCn1ccnc1-c1cccc(NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)c1 478636684 RQRPUGLEWIBQNY-UHFFFAOYSA-N 445.483 4.400 5 20 IIBD CCOC(=O)[C@@H](NCc1cccc([N+](=O)[O-])c1C)c1ccc(Br)cc1F 479485910 WEOAJSFMRRPJFC-KRWDZBQOSA-N 425.254 4.199 5 20 IIBD O=[N+]([O-])c1ccc(OC(F)F)c(NS(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1 480242613 SHNUQOFUJQHFJH-UHFFFAOYSA-N 426.319 4.102 5 20 IIBD CN(C[C@@H]1CCCC[C@@H]1O)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 481358201 HPHFAFURBJSKOL-ORYQWCPZSA-N 431.920 4.411 5 20 IIBD Cn1c([C@H](NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2)nc2ccccc21 481420434 XTSMONYQDGEWQP-JOCHJYFZSA-N 449.898 4.453 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3cccc(Br)c3)cn2)s1 481867937 BSMKKKOTYCQXFJ-UHFFFAOYSA-N 440.300 4.282 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CC[C@H]4[C@H](CCCN4C)C3)cc2[N+](=O)[O-])n1 483560087 OCAYHLVKJWFMNJ-CVEARBPZSA-N 432.571 4.067 5 20 IIBD CC(C)(C)OC(=O)[C@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccccc1 486306704 ZGJFVQUAWJGILZ-CYBMUJFWSA-N 441.303 4.232 5 20 IIBD O=C(CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 487833122 HSWPYYSMPKLGEN-KRWDZBQOSA-N 443.308 4.039 5 20 IIBD COCCCOc1ccccc1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 488365351 JBJXSFCXJVPRAG-UHFFFAOYSA-N 427.379 4.351 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CCC[C@@H]1CCc1ccccc1 488891962 QHTADXHZWIZORW-MRXNPFEDSA-N 439.331 4.143 5 20 IIBD CC[C@@H](Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC)C(=O)Nc1ccc(OC)cc1 489398527 STZHGJRLXXLRLY-GOSISDBHSA-N 441.513 4.391 5 20 IIBD COc1c(S(=O)(=O)Nc2c(C)cccc2C)cc(Br)c(C)c1[N+](=O)[O-] 491769685 YMPGCMPOMDVYQW-UHFFFAOYSA-N 429.292 4.092 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](CO)Cc1ccccc1C(F)(F)F 491855500 VBQGQNCGOGPDJV-CYBMUJFWSA-N 442.459 4.307 5 20 IIBD O=C(Nc1n[nH]c(-c2ccccc2Cl)n1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 497570387 CQGOBQFCZAHWDA-UHFFFAOYSA-N 426.845 4.409 5 20 IIBD O=C(NCc1ccc(F)cc1)c1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 501952347 PMWZELICEGAMFA-UHFFFAOYSA-N 448.454 4.491 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](NCc1cnn2ccccc12)c1ccccc1 507272962 ONSZAEIFYRPDFM-OAQYLSRUSA-N 435.871 4.366 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 507284990 TXPOLVJJHBEGEY-QZTJIDSGSA-N 449.617 4.448 5 20 IIBD C[C@@H]1CN(Cc2ccc(CNC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)cc2)C[C@@H](C)O1 507311765 HGSFIFFDSZVCSW-KZNAEPCWSA-N 443.569 4.001 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1 507901328 HYODXMZGMSAPIL-AEFFLSMTSA-N 428.432 4.369 5 20 IIBD CCCN(CCC)C(=O)c1ccccc1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C 509528335 YYSYFAWNXOCHRH-UHFFFAOYSA-N 433.530 4.275 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccnc(Oc3ccccc3)c2)cc1OC 509839267 LPDSBPBTXNVLRI-UHFFFAOYSA-N 439.424 4.068 5 20 IIBD COCCCn1c(SCCc2ccc([N+](=O)[O-])cc2)nc2cc(Cl)ccc2c1=O 515289142 JWSGKCOLMVJLQO-UHFFFAOYSA-N 433.917 4.329 5 20 IIBD CCN(Cc1ccc2ccccc2c1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 516280302 VDCSHXYBDVMQFC-UHFFFAOYSA-N 443.406 4.337 5 20 IIBD CCOc1ccc(Oc2ccccc2NC(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1 516447229 CEUHRDNWIYPPGM-UHFFFAOYSA-N 449.463 4.383 5 20 IIBD O=C(c1cc(C(=O)N2CC[C@@H](CC3CC3)C2)cc([N+](=O)[O-])c1)N1CC[C@H](CC2CC2)C1 517613499 ZKOVFVOMHHECFH-KDURUIRLSA-N 425.529 4.119 5 20 IIBD CC[C@@H](c1ccccc1)c1nnc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)s1 518562846 MVWUCGXOECYPHR-ZDUSSCGKSA-N 426.454 4.012 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCN(c2ccc(Cl)cn2)CC1 520025192 APUZGVZBGLZDKC-UHFFFAOYSA-N 448.708 4.281 5 20 IIBD O=C(CN1CCCCCC1)Nc1ccc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1 521550999 BHDHFWLWSJDPDY-UHFFFAOYSA-N 449.511 4.003 5 20 IIBD Cc1ccc2nc([C@@H]3CCCN3C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)[nH]c2c1 522041632 NNOMLCRYEBVWGV-QFIPXVFZSA-N 433.512 4.360 5 20 IIBD CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)cc1 522873658 LASZBTPOZZKMME-INIZCTEOSA-N 445.541 4.261 5 20 IIBD COc1cc(C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)c([N+](=O)[O-])cc1OC 524544777 DMYLLVCZFCSVRF-WJOKGBTCSA-N 440.477 4.172 5 20 IIBD COc1ccc(Cl)cc1C[C@H]1CCCN(c2cc3ncnc(O)c3cc2[N+](=O)[O-])C1 524638693 VDLYXPCJKVLMKS-CYBMUJFWSA-N 428.876 4.365 5 20 IIBD CC(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)c1 525549482 KYPAIYBIPAWSDF-UHFFFAOYSA-N 427.848 4.281 5 20 IIBD CC(=O)c1ccc(OCc2csc(CC(=O)Nc3ccccc3C)n2)c([N+](=O)[O-])c1 533069134 AETYCZXTXFTBEF-UHFFFAOYSA-N 425.466 4.323 5 20 IIBD COc1cccc(COc2cccc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)c2C)c1 533777180 AKIDKNQLWBNDRQ-UHFFFAOYSA-N 436.420 4.472 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1cccc(NC(=O)C2CCCCC2)c1 534621495 BTEUGOGDFJOVHD-UHFFFAOYSA-N 434.496 4.454 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 538248688 WFMOOLNGNTWVGH-UHFFFAOYSA-N 447.944 4.347 5 20 IIBD COc1ccc(-c2cc(-c3nc(Cc4c[nH]c5ccc([N+](=O)[O-])cc45)no3)n[nH]2)cc1OC 545079116 IDCMKOBWRNSCJV-UHFFFAOYSA-N 446.423 4.124 5 20 IIBD CC(C)(C(=O)NCc1ccc(COCC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1F 545827526 GHSVORBOKODISD-UHFFFAOYSA-N 428.382 4.407 5 20 IIBD CN(C)C(=O)C[C@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c2ccc(Cl)cc21 545832421 OYCDIPHIPRPXSP-ZDUSSCGKSA-N 447.894 4.274 5 20 IIBD COc1cc(/C=C/c2nc(Cc3ccc([N+](=O)[O-])c(OC)c3)no2)ccc1OC(F)F 546488555 SEGOBZWRTMKCOH-VMPITWQZSA-N 433.367 4.358 5 20 IIBD COc1cc(Cc2noc(C3CCN(c4nc5ccccc5o4)CC3)n2)ccc1[N+](=O)[O-] 547173616 PWOQYUHHKFBBRU-UHFFFAOYSA-N 435.440 4.102 5 20 IIBD Cc1ccc(-c2cncc(F)c2)cc1NC(=O)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 549717460 VCNKMYPPVUSFDL-HNNXBMFYSA-N 436.443 4.229 5 20 IIBD COc1cccc(-c2nc(Cc3c[nH]c4cc(Br)ccc34)no2)c1[N+](=O)[O-] 554811888 SCDJMWMZLDPFKE-UHFFFAOYSA-N 429.230 4.488 5 20 IIBD O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 556358114 NUMAFQMBEGIBBO-SFHVURJKSA-N 444.431 4.060 5 20 IIBD O=[N+]([O-])c1ccc2nc(CN3CCCN(Cc4ccc(C(F)(F)F)cc4)CC3)[nH]c2c1 561595869 LONNIQBLADFDNT-UHFFFAOYSA-N 433.434 4.198 5 20 IIBD CCOc1cc(Br)c(F)cc1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 564446624 NWUDMOQQQVDQLB-UHFFFAOYSA-N 438.253 4.485 5 20 IIBD Cc1nc2cc(CNC(=O)Cc3ccc([N+](=O)[O-])cc3Br)ccc2n1C1CC1 565976366 CTNDSHXSXOSKNP-UHFFFAOYSA-N 443.301 4.209 5 20 IIBD CC[C@@H](NC(=O)Cc1noc(-c2cc([N+](=O)[O-])ccc2C(F)(F)F)n1)c1ccccc1 574589188 JHFVAXHJTNAUGL-MRXNPFEDSA-N 434.374 4.474 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(N(C(C)=O)[C@@H]3C[C@H]3C)cc2)c([N+](=O)[O-])cc1OC 590530144 OBPNZKHLNSOMGS-FZKQIMNGSA-N 427.457 4.016 5 20 IIBD O=C(Nc1ccc2n[nH]cc2c1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 596619328 IEDDRDPPFZENQG-UHFFFAOYSA-N 433.390 4.345 5 20 IIBD COC(=O)c1ccc(C)c(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c1 603454188 CEHNWMMZMYFIKV-GJZGRUSLSA-N 425.485 4.424 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2C)ccc1C 603501481 QYHBBYHHFOPHBR-KRWDZBQOSA-N 445.541 4.335 5 20 IIBD O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1csc(-c2ccc(Br)cc2)n1 603824282 QLSJLMMIPWUKMD-UHFFFAOYSA-N 444.266 4.277 5 20 IIBD C[C@@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(NC(=O)Cc2ccccc2F)c1 603860862 BSHSBGZNMRDLBH-CQSZACIVSA-N 436.443 4.187 5 20 IIBD Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)COc1ccccc1[N+](=O)[O-] 603977246 ZDIJIEDRSSPJOW-HOTGVXAUSA-N 425.485 4.039 5 20 IIBD O=C(N[C@H](c1ccc(Br)cc1)C1CCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 604017724 UCPRONDBUHHENM-SFHVURJKSA-N 433.258 4.357 5 20 IIBD Cc1ccc2nc([C@H]3CCCN(C(=O)C4CCN(c5ccccc5[N+](=O)[O-])CC4)C3)[nH]c2c1 604539137 NYPHJNJLNWYFIU-IBGZPJMESA-N 447.539 4.402 5 20 IIBD Cc1cc(C)nc(Sc2ccc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)cc2)n1 608935423 SZPHCACMTDRJMZ-UHFFFAOYSA-N 438.465 4.176 5 20 IIBD O=C(N[C@H]1CCC[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1I 609511234 LZTSKHBMRSPJML-PBHICJAKSA-N 436.249 4.266 5 20 IIBD Cc1c(C[S@@](C)=O)cccc1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 609728117 LYCZYKUOMLPCGD-SSEXGKCCSA-N 443.447 4.241 5 20 IIBD CC[C@@H]1c2ccsc2CCN1C(=O)COc1ccc([N+](=O)[O-])cc1Br 609961764 DTOKJMGPRVCRNP-CQSZACIVSA-N 425.304 4.334 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCO[C@@H](C(F)(F)F)C3)cc2[N+](=O)[O-])cc1 610067326 HINXTWFDBSYIFE-QGZVFWFLSA-N 426.416 4.458 5 20 IIBD Cc1ccc(-c2noc([C@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)n2)c(Br)c1 612932756 IDPMBRAMIVSYFQ-NSHDSACASA-N 431.246 4.207 5 20 IIBD CCn1nc(C)c(C(=O)Oc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)c1C 727038127 FUKCRXCKHIBUAG-UHFFFAOYSA-N 433.420 4.421 5 20 IIBD O=C(c1c(F)cccc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727329672 NTGLFSDPAMOIQX-UHFFFAOYSA-N 431.773 4.369 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(Cl)nc3)cc2)cc1[N+](=O)[O-] 729268642 OJSJQDIKJIHAPG-UHFFFAOYSA-N 446.872 4.005 5 20 IIBD COC(=O)C1CCC(NCc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)CC1 730107582 MSHPVEGGPYVDIW-UHFFFAOYSA-N 428.485 4.004 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cnn(-c2ncccc2Cl)c1C(F)(F)F 730469955 UAXSSWWHDHGJCZ-UHFFFAOYSA-N 429.717 4.239 5 20 IIBD Cc1ccc(-n2nc(C)c(NC(=O)COC(=O)c3c(Cl)cccc3[N+](=O)[O-])c2C)cc1 730643054 GLNVOWMFFHRJHT-UHFFFAOYSA-N 442.859 4.155 5 20 IIBD COC(=O)c1cc(-c2nc([C@@H](CC(C)C)NC(=O)OC(C)(C)C)no2)cc([N+](=O)[O-])c1 731799001 WNCIWOWUXINTOJ-OAHLLOKOSA-N 434.449 4.043 5 20 IIBD CN(C[C@H]1CCCO[C@@H]1c1ccccc1)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] 732009624 KNWGKYNYGNCYMT-DNVCBOLYSA-N 440.468 4.195 5 20 IIBD O=C(NCC[S@](=O)Cc1ccccc1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 732097485 IUMWKFARQQAWHH-PMERELPUSA-N 440.546 4.425 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 734852492 VFBHTNJRBVDCCR-OAHLLOKOSA-N 433.338 4.380 5 20 IIBD C[C@H](OC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)C(=O)Nc1cccc2ccccc12 735352030 HLIRXMXCTLZTPS-ZDUSSCGKSA-N 431.404 4.186 5 20 IIBD Cc1ccc(-c2cc(C(=O)N3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)c3ccccc3n2)o1 736165236 ANXGJKZADFDJJV-MRXNPFEDSA-N 443.463 4.433 5 20 IIBD C[C@H](OC(=O)Cc1csc(-c2ccoc2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 738853858 CTSAOTTWHSWAJW-JTQLQIEISA-N 435.845 4.078 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Br)c1ccc(CN2CCCCC2=O)cc1 739578986 SEJIPVPPHKKCLS-UHFFFAOYSA-N 447.285 4.227 5 20 IIBD CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C 741936718 PXOZKHGDSYOMOG-XCLFUZPHSA-N 429.904 4.495 5 20 IIBD CCCN(Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)[C@@H]1CCCN(Cc2ccccc2)C1 742148451 VDFBUSMJTYTBMF-JOCHJYFZSA-N 434.544 4.187 5 20 IIBD COc1ccc([C@@H]2CCCCCN2C(=O)COC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 743197385 NNFSXEUALPAZJJ-IBGZPJMESA-N 430.432 4.043 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)[C@H]1C[C@]12CCc1ccccc12)c1cccc([N+](=O)[O-])c1 743315323 ZKJVBYQKVVSCGB-CLLDFNAGSA-N 448.519 4.427 5 20 IIBD C/C(=C/C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1cccc(C(F)(F)F)c1 745482242 CRJJIJPCGAQZKD-XFFZJAGNSA-N 426.322 4.338 5 20 IIBD C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 745565652 VBYUVNHVQMJHDK-YTORKDELSA-N 428.407 4.100 5 20 IIBD CC(=O)c1cc(Br)c(F)cc1OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 746578843 ROLROSDLXIGCQR-UHFFFAOYSA-N 445.628 4.370 5 20 IIBD C[C@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N1CCCc2ccccc21 747963062 WYMSVIYCVUOYOB-AWEZNQCLSA-N 437.477 4.243 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2ccccc2NC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] 748335133 QHDNYPAILSZVBQ-AWEZNQCLSA-N 443.456 4.434 5 20 IIBD CCOc1c(Cl)cc(C(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1OC 750434019 ONUJYXXUWVNAAC-UHFFFAOYSA-N 449.891 4.124 5 20 IIBD COCc1cc(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)ccc1F 750864881 NSIDRCPWOYPASF-UHFFFAOYSA-N 431.645 4.226 5 20 IIBD CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Br 751095875 LITYBOVIIXQAJH-UHFFFAOYSA-N 440.681 4.401 5 20 IIBD COc1c([N+](=O)[O-])cc(NC[C@H](C)c2c(C)noc2C)c([N+](=O)[O-])c1Br 751941619 VQPWSHUFGHGOMI-ZETCQYMHSA-N 429.227 4.095 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H](OCCCc2ccccc2)C1 752336524 TZECXPMFOSXRTH-VQIMIIECSA-N 431.920 4.299 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)cc1[N+](=O)[O-] 753076899 CLSDDQLAGYNXLV-ZDUSSCGKSA-N 444.868 4.054 5 20 IIBD Cc1cc(F)cc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c1[N+](=O)[O-] 758487330 UPCHERKYSHDDCI-UHFFFAOYSA-N 426.429 4.303 5 20 IIBD COc1ccc(Oc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3F)cn2)cc1 760360623 NFVKEGTUAUOEGU-UHFFFAOYSA-N 433.417 4.039 5 20 IIBD C[C@H](C(=O)OCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cccc([N+](=O)[O-])c1 763393337 LSCPBDPSDKXMAJ-HNNXBMFYSA-N 440.452 4.312 5 20 IIBD O=C(NC1(c2noc([C@@H]3CCOC3)n2)CCCCCC1)c1ccc([N+](=O)[O-])c(Cl)c1 764323978 PIJLHOQVLUTRRG-CQSZACIVSA-N 434.880 4.115 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)N1CCC[C@H]1c1cccs1 766231099 LGCDESPDORFULX-DYVFJYSZSA-N 425.466 4.114 5 20 IIBD COc1cc(C)c([C@@H](C)OC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1C 770018013 ARSXWCBWAKZSMB-ZBFHGGJFSA-N 432.498 4.191 5 20 IIBD C[C@@H](OC(=O)c1cccc(OCC(F)(F)F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 770135183 OVVNHLSPMOFCTK-SNVBAGLBSA-N 446.765 4.373 5 20 IIBD CC(C)(C)OC(=O)N1CCC(C(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)CC1 773379591 GIEAXRWKWDWMAI-UHFFFAOYSA-N 443.294 4.048 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 775169791 JNXUATSBKDYZAX-JEUDQZORSA-N 435.249 4.110 5 20 IIBD Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 775175026 CXHZWLSBOBKXNZ-IBGZPJMESA-N 436.434 4.429 5 20 IIBD C[C@@H]1[C@@H](C)N(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1C(=O)OC(C)(C)C 776514122 UYGGDWAUMXFHSM-ZIAGYGMSSA-N 446.529 4.188 5 20 IIBD CC(C)(C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)OCc1ccccc1 777256854 UCAFBDPFFZVERP-QGZVFWFLSA-N 449.301 4.245 5 20 IIBD CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccc([N+](=O)[O-])cc2F)NC(=O)N1 777942903 AEKUSKNRCNFFAR-INIZCTEOSA-N 438.337 4.019 5 20 IIBD Cc1c(C(=O)Nc2cc(F)c(N3CCCCC3)c(F)c2)nnn1-c1cccc([N+](=O)[O-])c1 779126890 GIZIWPGKWGLBOJ-UHFFFAOYSA-N 442.426 4.005 5 20 IIBD Cc1cc(COC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)ccc1[N+](=O)[O-] 781469362 IXQJMIBYOJHWNQ-UHFFFAOYSA-N 438.509 4.256 5 20 IIBD CO[C@@]1(C(F)(F)F)CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)C1 781788390 SYXKIOHAWWSCNR-IBGZPJMESA-N 429.439 4.015 5 20 IIBD O=C(OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1ncsc1-c1ccccc1 783089367 DCTHXRGNUZHPFT-MRXNPFEDSA-N 437.477 4.180 5 20 IIBD Cc1ccc(N2CC[C@@H](NC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])C2=O)cc1 783761511 OHUZRHWAIPTOSN-JOCHJYFZSA-N 445.475 4.018 5 20 IIBD CN(CCOc1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1N1CCOC1=O 786824049 GFDLEJLWVULVAW-UHFFFAOYSA-N 425.363 4.085 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(COC(=O)[C@@H]2CCC(=O)c3cccn32)cc1OC 789225881 BNKNOGRCIRTENO-PBHICJAKSA-N 430.457 4.091 5 20 IIBD COc1nc(Br)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 789698740 OKJNNKVOTFWWQN-UHFFFAOYSA-N 435.278 4.004 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC1CCC(O)(c2ccccc2)CC1 790950576 FHTOKTHFCZHGMX-UHFFFAOYSA-N 433.302 4.226 5 20 IIBD CC1(c2ccc(Cl)cc2)CCN(CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 794648252 YDJGDJWIXAYZQP-UHFFFAOYSA-N 442.903 4.028 5 20 IIBD CC(C)(NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1ccccc1[N+](=O)[O-] 795220523 RECYCHCZBNPOHU-UHFFFAOYSA-N 432.480 4.311 5 20 IIBD COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c1 797435206 DGJMIUUDXZSWKP-UHFFFAOYSA-N 431.445 4.276 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 800148657 POFLLRFFTVAFBU-UHFFFAOYSA-N 438.440 4.119 5 20 IIBD O=C(COC(=O)c1ccccc1Oc1ccncc1)Nc1cc(Cl)ccc1[N+](=O)[O-] 801501039 IPSGMCWRWYPDRY-UHFFFAOYSA-N 427.800 4.231 5 20 IIBD CC(=O)c1cc([N+](=O)[O-])ccc1NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1 804499442 DBSMKNANXPANOY-UHFFFAOYSA-N 441.465 4.000 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1nc2ccccc2cc1Br 808704692 ILCQSOSFPPQWGN-UHFFFAOYSA-N 444.241 4.009 5 20 IIBD CCN(CC)CCOC(=O)c1cccc(C)c1NC(=O)c1cc([N+](=O)[O-])cc(C)c1F 808827900 DFGJAOYPICORKB-UHFFFAOYSA-N 431.464 4.102 5 20 IIBD CN(C[C@@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1)C(=O)OC(C)(C)C 809917386 GFMHRTILXPOVQU-ZDUSSCGKSA-N 426.901 4.359 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 810345301 FNYWGCKLJDSSMP-GFCCVEGCSA-N 446.301 4.052 5 20 IIBD O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2 811214794 HWZZPPFAQOUHTD-APIJFGDWSA-N 428.388 4.117 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)OC(=O)c3cc([N+](=O)[O-])c(N(C)C)cc3F)n2)cc1F 814483614 POSRQYJOZIDZKH-LLVKDONJSA-N 432.383 4.215 5 20 IIBD C[C@H](c1ccc(F)cc1)N1CC[C@H](OC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C1=O 815235135 QDEXQZNMWNECMF-BZNIZROVSA-N 440.349 4.272 5 20 IIBD COc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 846283203 FNHMBIJJEFBIKN-CYBMUJFWSA-N 447.875 4.041 5 20 IIBD COc1cc(-c2nc(-c3cccc(Cn4nc(C)cc4C)c3)no2)c([N+](=O)[O-])cc1OC 904525855 XQMWWRKPEDSTCK-UHFFFAOYSA-N 435.440 4.191 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NCC1(c2ccccc2)CCOCC1 915213117 RBQHUHDVKFUTQN-UHFFFAOYSA-N 444.431 4.049 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 915301930 UOMPKRVSGUFJTN-KRWDZBQOSA-N 430.417 4.016 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)cc2F)C[C@H](C)O1 916411887 AEJQARJQWWLBFS-KBPBESRZSA-N 428.464 4.174 5 20 IIBD O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 916467059 MKYYUYCMFKFGHL-HXUWFJFHSA-N 425.485 4.395 5 20 IIBD CCOc1cc(C(=O)O[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c([N+](=O)[O-])cc1OC 918903995 YJSLFBFPSNELPR-GFCCVEGCSA-N 445.403 4.418 5 20 IIBD C[C@@H](OC(=O)CCOc1ccccc1[N+](=O)[O-])C(=O)N(c1nccs1)C1CCCCC1 919492644 GWVQVLKMWGBORB-OAHLLOKOSA-N 447.513 4.118 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)c1 920705419 OTUPWIJYPPXJCS-INIZCTEOSA-N 434.448 4.055 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1 920854492 MLBUDRMZTROZLP-GOSISDBHSA-N 441.440 4.053 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCO[C@H](c2ccc(Cl)s2)C1 1116242788 DEMPWWHDZUWJHH-NSHDSACASA-N 449.685 4.425 5 20 IIBD O=C(N[C@H]1CCCN(C(=O)c2ccccc2)C1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 1318132656 VADTXULIWZEWTM-IBGZPJMESA-N 445.475 4.422 5 20 IIBD O=C(NCCc1coc(-c2ccccc2)n1)Nc1ccc(Br)c([N+](=O)[O-])c1 1322981862 BQQYJZYZPBPJMA-UHFFFAOYSA-N 431.246 4.377 5 20 IIBD Cc1cc(F)cc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])[nH]4)cc3)CCC2)c1 1790187326 VHKZKOHELLZHFN-UHFFFAOYSA-N 436.443 4.432 5 20 IIBD CC[C@H](C)[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C2)c1ccccc1 1795566419 AMXQXRCEAKMLEF-WTLZFGJLSA-N 439.512 4.270 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1C1CC1 1803519019 MDHFZGJRGVVASF-BCDXTJNWSA-N 449.507 4.052 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)[nH]n1)c1ccccc1C1CC1 1823134035 IZPOYEODUGSWLE-IBGZPJMESA-N 448.483 4.143 5 20 IIBD CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)CCCCC1 1823618265 SFWIBQVGSKKKAN-SFHVURJKSA-N 431.533 4.392 5 20 IIBD C/C=C(\C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1824843177 PSWPAXUIRNZSBH-GERYVEDWSA-N 427.545 4.113 5 20 IIBD COc1ccc(/C=C/C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 10899924 VTRZDUOXFZEKPR-SBKJXLNCSA-N 438.358 4.206 5 20 IIBD O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])Nc1c(F)cc(F)cc1Br 10943179 WUSPTTWRXXYMAL-UHFFFAOYSA-N 449.591 4.084 5 20 IIBD CN(CC(=O)Nc1ccc(Br)cc1F)Cc1cc([N+](=O)[O-])ccc1Cl 11011763 JCKAIZBMGZVBSI-UHFFFAOYSA-N 430.661 4.220 5 20 IIBD COCCN(C(=O)COc1cc(C)cc(C)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 14790607 MYTYFPZLONLHRI-UHFFFAOYSA-N 441.509 4.394 5 20 IIBD COc1cc(CCNc2nc(-c3cccnc3)nc3ccccc23)c([N+](=O)[O-])cc1OC 15141889 MEYIQJBMHGQIKG-UHFFFAOYSA-N 431.452 4.272 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)cc1OC 22021462 CJRLIGLNWNDAEA-UHFFFAOYSA-N 443.283 4.208 5 20 IIBD CSc1ccc(C(=O)O[C@H](C)C(=O)N(C)Cc2nc3ccccc3s2)cc1[N+](=O)[O-] 22162591 RHQGYGGVYKXSGY-GFCCVEGCSA-N 445.522 4.130 5 20 IIBD COc1cc(C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)c([N+](=O)[O-])cc1OC 22893552 IYUOLIABHIOJGH-CYBMUJFWSA-N 443.481 4.048 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1Oc1cccc(-c2nnco2)c1 30519907 ZUHDEWXBBQHIQP-UHFFFAOYSA-N 444.469 4.002 5 20 IIBD COc1ccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1OCc1ccncc1 32242859 MUIZFYMXWHEYIL-UHFFFAOYSA-N 445.435 4.015 5 20 IIBD CC(C)CC(=O)Nc1cccc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 64421642 VXRMBIQOZCRFNU-AWEZNQCLSA-N 433.892 4.317 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(=O)n(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)c1 106200661 PDQVSQIYHOEDPE-UHFFFAOYSA-N 442.418 4.434 5 20 IIBD COc1ccc(C(=O)N(C)C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 108346489 PMOKFXOGHFZMAP-UHFFFAOYSA-N 435.436 4.350 5 20 IIBD Cc1ccc([C@H](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)N2CCCC2)cc1 109503987 URXKWRAMMGSZTI-SANMLTNESA-N 439.559 4.416 5 20 IIBD Cc1nc2ccccc2nc1CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 216826651 YHVLCLJJAKZSMV-UHFFFAOYSA-N 431.418 4.187 5 20 IIBD Cn1ccnc1C(=O)c1ccc(Sc2nnc(-c3ccc(Cl)s3)o2)c([N+](=O)[O-])c1 301406457 HAAVFXZVJCCISN-UHFFFAOYSA-N 447.885 4.475 5 20 IIBD O=C(c1cccnc1)N1CCc2cc(Nc3ncc([N+](=O)[O-])cc3Br)ccc21 301541928 OHFKWMNPJVQHSD-UHFFFAOYSA-N 440.257 4.094 5 20 IIBD CSc1ccc(C(=O)N[C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)cc1[N+](=O)[O-] 301688891 UVDJXCBQNJTDKC-QGZVFWFLSA-N 427.526 4.035 5 20 IIBD Cc1cc(N2CCCN(C(=O)c3ccccc3F)CC2)c(Br)cc1[N+](=O)[O-] 302697385 TXLSIGZTWFCKCD-UHFFFAOYSA-N 436.281 4.157 5 20 IIBD COC(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 302968338 QLSIDGTXOZBSGF-HOTGVXAUSA-N 437.496 4.067 5 20 IIBD O=C(NC1CCCCC1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 409866975 NTXZASWYMQOIMK-UHFFFAOYSA-N 437.905 4.112 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cccc4c(=O)n(C)ccc34)cc2[N+](=O)[O-])C1 410351496 FNEPECKKHWAAPH-HZPDHXFCSA-N 434.496 4.181 5 20 IIBD COc1cccc([C@@H](CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)N2CCCC2)c1 426235465 CPTNAYMQXWHPEV-HSZRJFAPSA-N 438.528 4.115 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(CO)c1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 428067280 SAKJDZFLGWHAIH-QGZVFWFLSA-N 425.268 4.136 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCC(Cn2cncn2)CC1 428316716 AJTDWDBUINMYLL-UHFFFAOYSA-N 441.875 4.184 5 20 IIBD C[C@@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1cccc(O)c1 430248547 KBVUYQZKYLLPBY-CYBMUJFWSA-N 437.418 4.413 5 20 IIBD Cc1ccccc1[C@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)C(C)(C)C 430535960 GHPOFBHDPGRRCG-NRFANRHFSA-N 425.485 4.495 5 20 IIBD O=C(O)CCN(Cc1ccc(F)c(F)c1)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 431441447 ATUXVPBAKZZCTG-UHFFFAOYSA-N 444.843 4.122 5 20 IIBD Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c(OC[C@@H]2CCCO2)c1 432478992 QTUUELSIPRBKSK-INIZCTEOSA-N 437.452 4.027 5 20 IIBD CCOc1cc(CN2CCC[C@H]2c2ccc[nH]2)ccc1OCCn1c([N+](=O)[O-])cnc1C 435772209 DECPRWAGNFMWLA-FQEVSTJZSA-N 439.516 4.243 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCN(c2ccccc2Cl)C1=O 437226399 HJXAFSNFJFUNLT-MRXNPFEDSA-N 441.793 4.145 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1I 437376209 RPWMUDURPLTXFD-DZGCQCFKSA-N 442.640 4.139 5 20 IIBD O=C(Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 437548079 QRRLYFPPHSHYRN-UHFFFAOYSA-N 443.419 4.070 5 20 IIBD Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 437925258 IAVAWNNLFHQKRK-UHFFFAOYSA-N 440.378 4.190 5 20 IIBD Cc1cc(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1OCC(F)(F)F 440970421 CAXJUARBDCOGAS-UHFFFAOYSA-N 431.754 4.075 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 441080814 QCFKBPIXITYMHF-LBPRGKRZSA-N 428.436 4.197 5 20 IIBD CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])CC2 442717024 RQTSRJPKVXOLFT-NHCUHLMSSA-N 442.537 4.138 5 20 IIBD COc1cc(CN2CCN([C@H](C)c3ccsc3)CC2)c([N+](=O)[O-])cc1OC(F)F 462452802 ASCXFCLDYOZSGA-CYBMUJFWSA-N 427.473 4.145 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 462922668 BENBTTWXMHTIEJ-MRXNPFEDSA-N 444.919 4.089 5 20 IIBD O=C(N[C@H]1C[C@H]1c1c(F)cccc1Cl)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465980296 JUZJIOZPJAZVQD-APWZRJJASA-N 433.867 4.496 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCc2nc3ccc(F)cc3[nH]2)cc1[N+](=O)[O-])c1ccccn1 467502407 LFYNRGNUGPZUTN-ZDUSSCGKSA-N 434.431 4.108 5 20 IIBD Cc1c(C(=O)N2CCCCC[C@H]2CC(=O)c2ccccc2)nnn1-c1cccc([N+](=O)[O-])c1 467534167 VEHCHBKRDSHAHV-IBGZPJMESA-N 447.495 4.142 5 20 IIBD C[C@@H](c1nc(-c2cccs2)no1)N1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 473536917 YERULYYWZQGWTC-AWEZNQCLSA-N 436.497 4.138 5 20 IIBD COC(=O)c1ccc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1F 474544899 XUWIDZBCSYTDTN-ZDUSSCGKSA-N 438.415 4.341 5 20 IIBD O=C(c1c(F)cccc1Cl)N1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 476497765 WGSOOVFCJXRZAY-UHFFFAOYSA-N 442.672 4.112 5 20 IIBD C[C@H]1CCCN(Cc2csc(NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)n2)C1 479973847 XOWHPCHMKUJTHV-HNNXBMFYSA-N 429.546 4.480 5 20 IIBD O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 479974113 ZDUDBGBZLCZBGY-UHFFFAOYSA-N 443.467 4.018 5 20 IIBD CCN([C@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 481453162 MNMDKETTZGQAMX-JOCHJYFZSA-N 425.510 4.240 5 20 IIBD CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cc1Cl 481960761 DUFODIZOTZNJIK-UHFFFAOYSA-N 439.921 4.148 5 20 IIBD Cc1ccc(OCCCC(=O)Nc2ccc(CNC(=O)c3ccc([N+](=O)[O-])o3)cc2)cc1 482236022 DRJBWVGEPSNUMU-UHFFFAOYSA-N 437.452 4.224 5 20 IIBD COc1ccccc1-c1nc(C2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)no1 483622196 VKUYIGIJHTVWRC-UHFFFAOYSA-N 437.456 4.373 5 20 IIBD CN(C[C@H]1CCCC[C@@H]1O)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 484461919 CEMANOYACFGEJM-IERDGZPVSA-N 431.920 4.483 5 20 IIBD COC(=O)[C@H](C)N(C(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(Br)cc1C 484821557 LNYHYSNLOGFRNS-ZDUSSCGKSA-N 435.274 4.182 5 20 IIBD C[C@H](c1nc(-c2cccs2)no1)N1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 485175448 TUKKKFBEYWKCAO-CQSZACIVSA-N 436.497 4.138 5 20 IIBD CN(Cc1cccc(F)c1)C(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 486026358 DWPQHXUUCQTGKY-UHFFFAOYSA-N 435.455 4.303 5 20 IIBD CC(C)(C)c1ccc([C@H](CC(=O)O)NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cc1 486040449 SQJWNNCASTZCEY-IBGZPJMESA-N 437.452 4.092 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)cc1[N+](=O)[O-] 489197982 YOADGSIAMYPBJF-CYBMUJFWSA-N 429.864 4.210 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)NCCCNc2ccc(C(F)(F)F)cn2)cc1[N+](=O)[O-] 489325019 VZFZPXXZNIVMQU-CYBMUJFWSA-N 425.411 4.179 5 20 IIBD COc1cc(CNCc2ccc(Br)s2)c([N+](=O)[O-])cc1OCC(F)F 491036672 YXWFUEFEASQWDN-UHFFFAOYSA-N 437.262 4.361 5 20 IIBD COc1c(S(=O)(=O)Nc2ccc(Cl)cc2C)cc(Br)c(C)c1[N+](=O)[O-] 491611239 YJKHOWISLJOVPE-UHFFFAOYSA-N 449.710 4.437 5 20 IIBD COc1ccc(-c2cc(NCc3ccc(-c4ccccc4[N+](=O)[O-])o3)n(CCO)n2)cc1 492191744 BTVQHCPAFMVFPH-UHFFFAOYSA-N 434.452 4.331 5 20 IIBD C[C@@H]1[C@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CCN1Cc1ccccc1 494068827 KPXUGQHBHQZMCQ-IVZQSRNASA-N 447.485 4.352 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccccc2NC(=O)c2ccccc2)cc1C 497551422 HNZMHMBALPACQR-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCOC[C@@H]2c2nc3ccccc3s2)cc1SC 500654870 QZJVDEPGYRVGJF-OAHLLOKOSA-N 445.522 4.149 5 20 IIBD COc1cc(C(=O)NCCc2ccccc2C(F)(F)F)c([N+](=O)[O-])cc1OC(F)F 502791272 TVMMJYQOZJTMAH-UHFFFAOYSA-N 434.317 4.196 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 503223854 DHEIJPCTVCTZCG-KRWDZBQOSA-N 446.301 4.217 5 20 IIBD COc1ccc([C@H]2C[C@H](NCc3cc(OC)c(OCC(F)F)cc3[N+](=O)[O-])C2)cc1F 504576306 YTXJKSXAKRRRFI-CTYIDZIISA-N 440.418 4.431 5 20 IIBD Cc1c(CNC(=O)C2CCN(c3noc4ccc(Cl)cc34)CC2)cccc1[N+](=O)[O-] 506179158 NNKZTDHBRKNHBM-UHFFFAOYSA-N 428.876 4.231 5 20 IIBD COc1cc(C(=O)NCc2nnc(C3CC3)o2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 506390185 VRZDNGQSWWJOSI-UHFFFAOYSA-N 444.831 4.240 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCCC[C@@H]1c1ncc(-c2ccccc2)[nH]1 507282718 PSBHDZJPRYXROA-LJQANCHMSA-N 448.479 4.052 5 20 IIBD CC1(C)CN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C[C@]2(C[C@@H]3CC[C@H]2C3)O1 507726323 NQFVMWGOWKTSFD-CKNLXJGOSA-N 442.434 4.346 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)cc1[N+](=O)[O-] 510056308 NKKATYWUWKHEBX-MRXNPFEDSA-N 435.274 4.476 5 20 IIBD COc1ccc([C@@H](C)NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1Br 510880463 HWUVSIOUPZCSDW-CYBMUJFWSA-N 436.306 4.311 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 510892332 ISZPVKWCYXBMJO-UHFFFAOYSA-N 436.443 4.328 5 20 IIBD CCOc1cc(Br)c(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1OCC 511587274 JGLAZGMXHCXGHQ-UHFFFAOYSA-N 439.262 4.172 5 20 IIBD CCOCCCN1CC[C@@H](Nc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])[C@H](C)C1 520449309 CSSIWTXHBKKVIO-WIYYLYMNSA-N 425.529 4.375 5 20 IIBD CC(C)C(=O)NC[C@@H]1CCCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 522708906 OPAWFTXBHTUTPJ-KRWDZBQOSA-N 440.500 4.403 5 20 IIBD COc1cc(C(=O)Nc2cccc(Cl)c2O)c([N+](=O)[O-])cc1OCc1cscn1 522975834 RNYFZAMBFGWXKY-UHFFFAOYSA-N 435.845 4.250 5 20 IIBD Cc1ccc(NCCCNC(=O)c2cccc(OCc3csc(C)n3)c2)c([N+](=O)[O-])c1 523512185 MWLIRFABVBIGIJ-UHFFFAOYSA-N 440.525 4.479 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)S(=O)(=O)c1cccc(C(F)(F)F)c1 526046309 AJKNSPBEGATHCA-JTQLQIEISA-N 427.360 4.199 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc3cn(C(C)C)nc3c2)ccc1[N+](=O)[O-] 532268490 KFUFIXDZUUITNR-OAQYLSRUSA-N 435.484 4.077 5 20 IIBD COc1ccc(C(=O)N2CCC[C@H](C(=O)N(C)c3cccc([N+](=O)[O-])c3)C2)c2ccccc12 532827110 IBDMLQUKLXCQMZ-KRWDZBQOSA-N 447.491 4.272 5 20 IIBD CN1CC(=O)N(c2cccc(NCc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)c2)C1=O 533211582 KFSSHLMZASPHRM-UHFFFAOYSA-N 445.479 4.373 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2C(C)C)cc1[N+](=O)[O-] 534057449 JWLOGNQGVGFOTJ-UHFFFAOYSA-N 429.292 4.290 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CS(=O)(=O)c3nc(-c4ccc(F)cc4)cs3)co2)cc1 534796613 MTQXVFUMRGFKMC-UHFFFAOYSA-N 445.453 4.486 5 20 IIBD Cc1nc([C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccc(Cl)cc2)no1 536553363 SQWLLPCFWWDHKD-OAHLLOKOSA-N 440.765 4.478 5 20 IIBD O=C(Nc1ccc(OC2CCCC2)c(F)c1)c1cccc([N+](=O)[O-])c1N1CCOCC1 537360155 JCDPQUHVPLPHJW-UHFFFAOYSA-N 429.448 4.144 5 20 IIBD O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1cc(Br)cc([N+](=O)[O-])c1 539350000 XXQLQPXEFQWHCV-CVEARBPZSA-N 425.666 4.271 5 20 IIBD C[C@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1cccc(N2CCCC2=O)c1 539448435 VGEGMRPGDVAPBJ-INIZCTEOSA-N 430.464 4.275 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCC3(Cc4ccc(F)cc4)CC3)cc2)c(C)c1[N+](=O)[O-] 539978478 VKUFAWGLJFZKST-UHFFFAOYSA-N 436.487 4.348 5 20 IIBD CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 540002559 SMZDGTFTMPIEFS-IVZQSRNASA-N 440.475 4.102 5 20 IIBD Cc1cccc(Nc2nnc(Sc3sc(S(C)(=O)=O)cc3[N+](=O)[O-])s2)c1 542102824 FGQRBEPDXALNOB-UHFFFAOYSA-N 428.542 4.115 5 20 IIBD O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)Nc1ccc([N+](=O)[O-])cc1F 542719749 LQZHPAIAQGEJCE-LBPRGKRZSA-N 437.269 4.144 5 20 IIBD C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1O 543678048 FQTPUMCNLCYZFQ-ZETCQYMHSA-N 432.647 4.018 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1[N+](=O)[O-] 543908863 WPLYVPVBFPVUGG-DZGCQCFKSA-N 425.411 4.226 5 20 IIBD Cn1ccc([C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c2ccc(Cl)cc2)n1 545108981 URPPMQVJBCSFGP-KRWDZBQOSA-N 449.692 4.264 5 20 IIBD Cc1csc(Sc2ccc(-c3nc([C@H]4CN(C5CC5)CCO4)no3)cc2[N+](=O)[O-])n1 547207731 IWWQDDVAJICLJP-OAHLLOKOSA-N 445.526 4.097 5 20 IIBD CC(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCc2ccccc2C1 549684437 AWONLCDCRXNEBM-HXUWFJFHSA-N 435.446 4.426 5 20 IIBD O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N(Cc1ccccc1)CC1CCC1 551421631 HQIKOPJABBVSBV-UHFFFAOYSA-N 446.301 4.125 5 20 IIBD COCCOc1c(Cl)cccc1NC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] 552996706 CZRNRLFPJZVPJH-UHFFFAOYSA-N 446.790 4.136 5 20 IIBD C[C@H](O)C[C@H]1CCCCCN1C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 553047657 PGCFRWIDOSQSAN-YQVWRLOYSA-N 426.517 4.319 5 20 IIBD Cc1cc2cc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)ccc2n(C)c1=O 553565939 IZHUGUODOWCKOS-UHFFFAOYSA-N 434.496 4.244 5 20 IIBD CC(C)Oc1ccc([C@H](CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 554038225 CXLJSKVAJPEJFU-IERDGZPVSA-N 431.558 4.282 5 20 IIBD COc1ccc(CN(C(=O)NCc2cccc([N+](=O)[O-])c2C)[C@H](C)C2CC2)c(OC)c1 555204359 OBJAVNXIPIEHJN-MRXNPFEDSA-N 427.501 4.431 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)NCc2ccccc2OC2CCCC2)cc1[N+](=O)[O-] 556517532 GAXBILYRTYOMNR-UHFFFAOYSA-N 439.512 4.469 5 20 IIBD Cn1ccnc1[C@H](N[C@H]1CCCN(c2ccccc2Cl)C1)c1ccc([N+](=O)[O-])cc1 556868504 WPZJOMUYPUPMHS-LAUBAEHRSA-N 425.920 4.330 5 20 IIBD Cc1cccn2cc(COc3ccc(C(=O)N(C)CCc4ccccc4[N+](=O)[O-])cc3)nc12 557074246 JJOWRTLERORCEK-UHFFFAOYSA-N 444.491 4.445 5 20 IIBD Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] 557076116 KRZQJRXKRSVVEM-UHFFFAOYSA-N 443.301 4.166 5 20 IIBD C[C@@H](CNc1nc(O)c2cc([N+](=O)[O-])ccc2n1)Sc1ccc(Br)cc1 557573801 NDLZDFNSQHUNEQ-JTQLQIEISA-N 435.303 4.599 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1C[C@H](O)C[C@H]1c1cccc(F)c1 557726603 QRKLZLPXVHRHOE-PBHICJAKSA-N 432.249 4.357 5 20 IIBD CC(=O)Nc1ccc(Cl)c(NCc2cc(I)cc([N+](=O)[O-])c2)c1 564551687 DZURJIDKFLEELS-UHFFFAOYSA-N 445.644 4.423 5 20 IIBD COc1cc(Br)c(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1OC 578789236 BUBBBWZAFRBHMO-UHFFFAOYSA-N 438.278 4.081 5 20 IIBD CC(=O)Nc1ccc(Cl)cc1NCc1cc(I)cc([N+](=O)[O-])c1 582519836 VQQLHJKQMDDTSQ-UHFFFAOYSA-N 445.644 4.423 5 20 IIBD O=C(N[C@H](c1noc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1)C1CC1)c1ccccc1 583051275 HXHHEUTZZRRYES-FQEVSTJZSA-N 433.468 4.126 5 20 IIBD O=C(c1cc(Br)c2ccccc2c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 590098416 HKPMXQUOSGASNP-UHFFFAOYSA-N 429.274 4.184 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc2ccccc2n(C)c1=O 590447957 SXORTGFFJHNAMG-UHFFFAOYSA-N 425.510 4.125 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)Cc3ccccc3F)cc2)cc1[N+](=O)[O-] 603501785 GYXPYSWXFORTEL-UHFFFAOYSA-N 443.456 4.024 5 20 IIBD CN(CCc1ccccc1)C(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 603517771 PRGLGVZBUVRMOE-UHFFFAOYSA-N 431.492 4.207 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCC(=Cc2cccc(F)c2)CC1 603928610 QZMWMSXWYZFPMI-UHFFFAOYSA-N 439.443 4.128 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 604472346 RNTSJEFPWGSHAJ-WMZOPIPTSA-N 431.920 4.044 5 20 IIBD COc1cc(CNCCc2cccc3cccnc23)c([N+](=O)[O-])cc1OCC(F)(F)F 604532157 ATUNZEJNRZVZLK-UHFFFAOYSA-N 435.402 4.425 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 608964671 LUUSICNLHZLRBE-IBGZPJMESA-N 447.278 4.301 5 20 IIBD Cc1c(NC(=O)[C@@H](C)Sc2nnc(C)n2CCc2cccs2)cccc1[N+](=O)[O-] 609009341 SQBKUSCPYKSCCQ-CYBMUJFWSA-N 431.543 4.227 5 20 IIBD CCOc1ccc(Br)cc1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 609081182 QQYZCYCUZVYJQL-UHFFFAOYSA-N 449.305 4.110 5 20 IIBD C[C@@H](NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)c1nnnn1-c1ccccc1 609677595 NFZBCXZVJPKEPZ-QGZVFWFLSA-N 429.484 4.189 5 20 IIBD Cc1ccc([C@H](C)NC(=O)CSCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cc1C 609770794 PHVZKVHTDCLNRC-INIZCTEOSA-N 443.525 4.120 5 20 IIBD COc1ccc(C(=O)Nc2ccc(Oc3cccc(S(C)(=O)=O)c3)cc2)cc1[N+](=O)[O-] 609981190 GAHWUKXUJKNSTI-UHFFFAOYSA-N 442.449 4.052 5 20 IIBD COC(=O)c1cc(C(=O)Nc2cc(Br)c(F)cc2Cl)cc([N+](=O)[O-])c1 610578669 WOYLHRZDFZMNHI-UHFFFAOYSA-N 431.601 4.189 5 20 IIBD O=C1CCCC[C@H]1[C@H]1CCCCCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 610886523 NYNDDGNLLBBDHR-VQTJNVASSA-N 427.545 4.342 5 20 IIBD O=[N+]([O-])c1ccc(OCCCN2[C@H]3CC[C@H]2CC(O)(Cc2ccc(F)cc2F)C3)cc1 611374499 VIHRTNJWOOFYPZ-PMACEKPBSA-N 432.467 4.243 5 20 IIBD CCc1nn(C)c2n[nH]c(NC(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)c12 612544113 UPGVWTIBRNPRJW-UHFFFAOYSA-N 428.518 4.302 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C(C)(C)C)ccc2OC)cc1OC 619564099 RCHFNSPDLIRWME-UHFFFAOYSA-N 432.473 4.187 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1[N+](=O)[O-] 725948290 QBQLRJWRPOPWLJ-GOSISDBHSA-N 448.475 4.378 5 20 IIBD CC(C)Oc1ccc(CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c(C(F)(F)F)c1 726517964 DIHIKLQHSZDYEC-UHFFFAOYSA-N 430.354 4.235 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N(CCc1ccccn1)Cc1ccc(F)cc1 726977159 XMXYXQOMTXQQFK-UHFFFAOYSA-N 449.891 4.216 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(CC[C@H](O)c2ccccc2)cc1 727360250 IPCXMWSXOSIUCQ-NRFANRHFSA-N 426.494 4.370 5 20 IIBD Cc1ccccc1NC(=O)[C@H](C)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727436562 DPPMRZQXUDGLOF-HNNXBMFYSA-N 436.434 4.071 5 20 IIBD CC[C@@H](NC(=O)c1ccc(I)c([N+](=O)[O-])c1)c1ccc(OC)cc1 727747989 CNWWWPJOQXDZIP-OAHLLOKOSA-N 440.237 4.089 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(N)c([N+](=O)[O-])c1 727899816 NWHALTZNFVQOJY-VIFPVBQESA-N 445.781 4.342 5 20 IIBD Cc1cccc2[nH]cc(CC(=O)N(Cc3nnc(-c4cccc([N+](=O)[O-])c4)o3)C(C)C)c12 728801581 AGNZOBAARWPPEQ-UHFFFAOYSA-N 433.468 4.414 5 20 IIBD CC(C)(C)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)n(-c2ccccn2)n1 730970099 SCPSBKXFQZCCKL-UHFFFAOYSA-N 444.289 4.488 5 20 IIBD CCC1=C(C(=O)OC)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1Cc1cccs1 732043464 NMGQCQCHJSALSV-QGZVFWFLSA-N 435.889 4.413 5 20 IIBD Cc1cc(Br)ccc1CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] 732048801 IFEXPIMIGCOKMQ-UHFFFAOYSA-N 435.246 4.274 5 20 IIBD Cc1c(C(=O)OCc2csc(-c3ccccc3F)n2)nnn1-c1cccc([N+](=O)[O-])c1 733512224 BEMPEUMPRLFSRT-UHFFFAOYSA-N 439.428 4.104 5 20 IIBD COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 734811921 PEZLPLMZFIMEEJ-IFXJQAMLSA-N 429.473 4.047 5 20 IIBD CCCC(=O)Nc1ccc(C(=O)COC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 740423667 UPPRWCSJWBMOMP-UHFFFAOYSA-N 449.257 4.136 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1SC(F)(F)F 740503629 RYMZNXMGLZIYPQ-UHFFFAOYSA-N 441.431 4.284 5 20 IIBD COCC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 741174989 BCPVAYMSUGFPGK-ZDUSSCGKSA-N 425.254 4.330 5 20 IIBD CCCN(Cc1ccccc1Br)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 742146831 NZQDEWVKBAIQEN-UHFFFAOYSA-N 430.306 4.486 5 20 IIBD CN(Cc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1)C(=O)C(F)(F)F 742535562 VHMZKKQXXUOJNH-UHFFFAOYSA-N 449.307 4.387 5 20 IIBD CC(C)[C@@H](OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)Nc1ccc2c(c1)CCC2 743122345 HOLBSZASMMMXEY-JOCHJYFZSA-N 448.479 4.089 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 744267534 NUNAQWMKUGOOPN-UHFFFAOYSA-N 432.742 4.017 5 20 IIBD COC(=O)Nc1cccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)c1 750808838 NIMVLIBXWWUPMO-UHFFFAOYSA-N 428.626 4.441 5 20 IIBD O=C(COC(=O)c1c(F)ccc([N+](=O)[O-])c1F)Nc1ccccc1Oc1ccccc1 752567371 TWTVGWMWKBEFJQ-UHFFFAOYSA-N 428.347 4.461 5 20 IIBD O=C(COC(=O)c1c(F)ccc([N+](=O)[O-])c1F)c1ccc(OCc2ccccc2)cc1 752567761 VHGRAQUVUYFBPT-UHFFFAOYSA-N 427.359 4.492 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 754096227 CKCWQYSIXXCLMW-CXAGYDPISA-N 430.404 4.062 5 20 IIBD CC(C)n1c(S)nnc1CCNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 755298697 MCMNCUXFLFZQRD-UHFFFAOYSA-N 449.602 4.311 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(I)ccc1Cl 757747231 YPVQMHSNHJSPDN-UHFFFAOYSA-N 445.644 4.171 5 20 IIBD O=[N+]([O-])c1ccc(CCc2nc(Cc3ccc(Br)cc3)no2)c([N+](=O)[O-])c1 761314909 XVOAIUDPBZECKO-UHFFFAOYSA-N 433.218 4.025 5 20 IIBD CC(C)(C)OC(=O)N[C@H](CCc1nc(Cc2ccc([N+](=O)[O-])cn2)no1)c1ccccc1 762324837 OLYSJRARBNQXRS-GOSISDBHSA-N 439.472 4.162 5 20 IIBD C[C@H](C(=O)OCC(=O)Nc1ccc(Br)cc1Cl)c1cccc([N+](=O)[O-])c1 763406557 XYPKYZORLWULFT-JTQLQIEISA-N 441.665 4.296 5 20 IIBD COc1c([N+](=O)[O-])cc(N[C@H]2CCO[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])c1Br 764178384 HVLKPXSHPCTFHO-JOYOIKCWSA-N 432.271 4.280 5 20 IIBD CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1F 766492032 KNCZDZHIXRUVNY-UHFFFAOYSA-N 432.452 4.293 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@@H](C4OCCO4)C3)o2)c(Br)c1 769308954 CFVFYEIAPYNTFT-CYBMUJFWSA-N 437.290 4.202 5 20 IIBD CCc1cc(N2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 771931372 QCGOKBQLBDETPT-CRAIPNDOSA-N 441.532 4.496 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1cccc(N2CCCC2=O)c1 775087867 SFJBHZZNPUXRMQ-UHFFFAOYSA-N 442.493 4.262 5 20 IIBD O=C(N[C@@H]1CCCOCC1)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 776381893 MRSXAMUGEKMZBB-OAQYLSRUSA-N 437.540 4.353 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1coc(-c2ccccc2Cl)n1 776439325 HTIVOQDFNFRLFG-UHFFFAOYSA-N 426.772 4.310 5 20 IIBD O=C(N[C@@H]1CCCOc2cc(F)ccc21)c1cc(F)cc([N+](=O)[O-])c1Br 777499393 GHAIBWDTCSNQDX-CYBMUJFWSA-N 427.201 4.279 5 20 IIBD COc1c(F)cc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1[N+](=O)[O-] 777930966 GQAYQVDJPYNKPN-OAHLLOKOSA-N 448.394 4.287 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Oc2cccc(OC(F)(F)F)c2)ccc1[N+](=O)[O-] 778069291 HEQCXVKUAIHPFI-KRWDZBQOSA-N 438.358 4.012 5 20 IIBD O=C(Nc1cc(F)c(N2CCCCC2)c(F)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 778732505 LTSKIWSTBNXTCJ-UHFFFAOYSA-N 427.411 4.301 5 20 IIBD Cc1oc(-c2ccsc2)nc1CC(=O)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 778802535 GHJPLXQKPWMMSL-OAHLLOKOSA-N 431.445 4.123 5 20 IIBD Cc1nc2cc(NS(=O)(=O)c3ccc(Br)c([N+](=O)[O-])c3)ccc2s1 781117810 VAMAQWXPHLWKHT-UHFFFAOYSA-N 428.289 4.076 5 20 IIBD C[C@@H](OC(=O)c1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1)c1cccc([N+](=O)[O-])c1 784853093 WRKDAERMKJPQBZ-DNVCBOLYSA-N 444.488 4.281 5 20 IIBD O=Cc1ccc([N+](=O)[O-])c(OS(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)c1 786846832 KJKQIOKNKDLUEF-UHFFFAOYSA-N 425.846 4.007 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 789440445 PPSGSIWBTYSVND-QGZVFWFLSA-N 444.444 4.324 5 20 IIBD O=[N+]([O-])c1ccc(CSc2nnc(-c3ccncc3)n2Cc2ccccc2)c([N+](=O)[O-])c1 789750273 OSLUIFGQHRBVGF-UHFFFAOYSA-N 448.464 4.497 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(-c3ncc4n3CCCC4)cc2)c(Cl)c1 790420800 DIPWGAZUDPDFRN-UHFFFAOYSA-N 433.873 4.216 5 20 IIBD COc1ccc(C[C@@H](C)C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cc1 791172324 MUVPQPIKGHWVLF-CYBMUJFWSA-N 433.302 4.129 5 20 IIBD CCC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 795151327 OIIZXFOQGZPSPN-GOSISDBHSA-N 440.930 4.277 5 20 IIBD Cc1ccc(CNC(=O)c2nnc(COc3cc(F)c([N+](=O)[O-])cc3Cl)s2)cc1 795261588 ORLXBHZDTGZVNO-UHFFFAOYSA-N 436.852 4.056 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2)c(Cl)c1 796083048 CNVWJABGUQHQGF-HXUWFJFHSA-N 446.912 4.173 5 20 IIBD C[C@H](OC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C(=O)Nc1ncc(Cl)cc1Cl 796441009 IDVKWYLTKRQXGF-JTQLQIEISA-N 426.256 4.145 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(I)c1)c1ccc(-c2cnco2)cc1 801698944 NWBANAPWPJJJNI-UHFFFAOYSA-N 435.177 4.107 5 20 IIBD COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)cc1 802906654 XMTLADLUXVCNFX-UHFFFAOYSA-N 449.398 4.123 5 20 IIBD CC(=O)c1cc(Br)ccc1OCC(=O)OCc1cc(Cl)ccc1[N+](=O)[O-] 803802168 NBONVHDRSSXZSP-UHFFFAOYSA-N 442.649 4.336 5 20 IIBD CC(C)Oc1ccc([C@H](CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)N(C)C)cc1 806175535 BZSNNFFKAVPLFT-DEOSSOPVSA-N 426.561 4.243 5 20 IIBD O=C(COC(=O)C1(c2cccnc2)CCCC1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 808565350 XNSFVNISGLUKNZ-UHFFFAOYSA-N 437.374 4.002 5 20 IIBD COCc1ccc([C@@H]2CCCN2S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1 809832735 SDWOKHGLMLUSFP-ZDUSSCGKSA-N 435.285 4.167 5 20 IIBD CCOc1ccc([C@@H](O)C2CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)cc1 812864998 WIYNZQAQXQTUDL-XMMPIXPASA-N 441.528 4.076 5 20 IIBD C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] 815036195 SMVJDQMMGHAGNV-HWPZZCPQSA-N 449.287 4.191 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 817655696 DXOAWFORWBBMQB-ZWKOTPCHSA-N 431.533 4.403 5 20 IIBD Cc1ccc(Cl)cc1N(C)C(=O)c1cc([N+](=O)[O-])ccc1I 818814772 FDLGSCNNFBXBHN-UHFFFAOYSA-N 430.629 4.438 5 20 IIBD O=C(c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CC(C2CCCCC2)C1 819009793 QNHNTKIAHMJTON-UHFFFAOYSA-N 444.509 4.015 5 20 IIBD CN(C(=O)CSc1ccccc1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)C1CCCCC1 819892277 BYWISGWCCUPUDQ-UHFFFAOYSA-N 442.541 4.313 5 20 IIBD C=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 823991592 XXIHUGWMPVWEBS-UHFFFAOYSA-N 441.443 4.281 5 20 IIBD O=C(COC(=O)CCc1cccc(Br)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 849209521 FGCADVSAIFWYGI-UHFFFAOYSA-N 441.665 4.125 5 20 IIBD O=[N+]([O-])c1cccc(N2CCN(C(=S)Nc3ccc(OC(F)(F)F)cc3)CC2)c1 916012306 KXCXUSFDTDHUFD-UHFFFAOYSA-N 426.420 4.012 5 20 IIBD CCOc1ccc(Br)cc1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1Cl 916100101 LMCHZAJRZWZPRC-UHFFFAOYSA-N 436.667 4.177 5 20 IIBD O=C(NS(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H](Sc1ccccc1)c1ccccc1 917448086 TZCUWDRNRRGWGT-LJQANCHMSA-N 446.481 4.072 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1I)c1cc(F)ccc1F 917974882 VWVJCKPSMZXBSA-QMMMGPOBSA-N 433.148 4.396 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)Cc1csc(NC(=O)c2cccs2)n1 918538663 ONWKZFWAMSTQCK-UHFFFAOYSA-N 447.494 4.050 5 20 IIBD CC(C)[C@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(=O)N1CCc2sccc2C1 919210129 GGXWOMQOWUCUEI-IBGZPJMESA-N 428.466 4.169 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)c1 920704040 SEBVMVGLOYFVRW-FQEVSTJZSA-N 440.496 4.421 5 20 IIBD COc1ccc(NC(=O)[C@@H](OC(=O)c2cc(OC)ccc2[N+](=O)[O-])c2ccccc2)cc1 920705446 PDEQYEFKJYBTAX-NRFANRHFSA-N 436.420 4.149 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)O[C@H](c2ccccc2)c2ccncc2)cc1[N+](=O)[O-] 920771361 UZSUETKBFHGFIX-HXUWFJFHSA-N 447.476 4.216 5 20 IIBD C[C@H](OC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1Cl 920779678 VXIYOLDBIMETQA-UWVGGRQHSA-N 445.230 4.378 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cn2)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1116027164 GSJVNKDAXBYWJZ-UHFFFAOYSA-N 438.871 4.398 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@@H](c2nnc(-c3ccc(F)cc3Br)o2)C1 1322557478 QXAASFIEXUZZSA-OAHLLOKOSA-N 433.193 4.412 5 20 IIBD COc1ccc(-c2nnc(N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)n2C[C@H]2CCOC2)cc1 1324676901 LPSXKHSTGZEXDG-GOSISDBHSA-N 449.511 4.067 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1ccc(C(F)(F)F)cn1 1332590839 OHPNWFZWPYLGCB-UHFFFAOYSA-N 435.362 4.109 5 20 IIBD O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1338692214 ZWYGHVJICWHQTG-RTBURBONSA-N 434.323 4.350 5 20 IIBD Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)cc1 1343771034 DRTRHCLWJKBNBO-UHFFFAOYSA-N 443.459 4.404 5 20 IIBD CCN(CC)Cc1csc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)n1 1350431065 DYEVUOOHKYFZOD-UHFFFAOYSA-N 442.545 4.007 5 20 IIBD Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc(F)c4[N+](=O)[O-])cc3)CCC2)nc1 1790698420 PTRSIYDGMXAERL-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD CC(C)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])[nH]n1 1821932491 BATKZDMGEHAQHD-QGZVFWFLSA-N 431.468 4.199 5 20 IIBD CCOC(=O)c1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2-c2cccs2)cc1 15359184 LHEADRUGPXQELI-UHFFFAOYSA-N 433.463 4.268 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)C2c3ccccc3Oc3ccccc32)c([N+](=O)[O-])c1 15705334 OFILZYKXMHXOKU-AWEZNQCLSA-N 448.431 4.411 5 20 IIBD CSc1ccc(C(=O)Nc2cc3c(cc2Br)OCCO3)cc1[N+](=O)[O-] 16008677 VABPAONBOCYZPC-UHFFFAOYSA-N 425.260 4.103 5 20 IIBD CC(=O)Nc1cc2ccccc2cc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 16413221 NHBGVUNDWQZGOV-UHFFFAOYSA-N 441.827 4.155 5 20 IIBD CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 18189055 NMQFSMBCATUQLW-UHFFFAOYSA-N 431.659 4.370 5 20 IIBD Cc1ccc(C=C(C(=O)Nc2ccccc2[N+](=O)[O-])C(=O)Nc2ccccc2[N+](=O)[O-])cc1 20859744 YOJRBJVOZWREHS-UHFFFAOYSA-N 446.419 4.472 5 20 IIBD COc1ccc2cc(CN(C)C(=O)[C@H](C)OC(=O)c3cccc([N+](=O)[O-])c3C)ccc2c1 22911821 QPLIIUKGHPHKJA-INIZCTEOSA-N 436.464 4.269 5 20 IIBD CN(C)Cc1ccc(-c2ccccc2CNC(=O)CCNc2ccccc2[N+](=O)[O-])cc1 45892752 ZIJIVTGEKLMMGT-UHFFFAOYSA-N 432.524 4.442 5 20 IIBD O=C(N[C@H]1CCN2CCCC[C@@H]12)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 58299030 ZDZHRYPZFQEYFR-PMACEKPBSA-N 428.920 4.217 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] 64113175 XLCBCVXEHJATPV-UHFFFAOYSA-N 444.495 4.033 5 20 IIBD CCn1c(Sc2cc(-c3ccccc3)nc3ncnn23)nnc1-c1ccc([N+](=O)[O-])cc1 301702601 GYTZOAYXCUWYPA-UHFFFAOYSA-N 444.480 4.129 5 20 IIBD O=[N+]([O-])c1cc(Br)cnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 302170009 LWWCCJKWZXFUOB-AWEZNQCLSA-N 432.196 4.349 5 20 IIBD COc1ccc(NC(=O)c2cc(Br)ccc2Br)c([N+](=O)[O-])c1 319361511 XKOQXSXMSLREJZ-UHFFFAOYSA-N 430.052 4.381 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1cccc(NC(=O)C2CCCCC2)c1 427450600 VAGBJOVZEOLXHL-UHFFFAOYSA-N 439.468 4.066 5 20 IIBD O=C(Nc1nc(CN2CCCCC2)cs1)c1cc(Br)cc([N+](=O)[O-])c1 432910289 CJTJHNJFYXTGBN-UHFFFAOYSA-N 425.308 4.052 5 20 IIBD Cc1cccc(N2CCC(NC(=O)Nc3cc(Br)cc([N+](=O)[O-])c3C)CC2)n1 435332448 LHQOQSOOXOLSPR-UHFFFAOYSA-N 448.321 4.160 5 20 IIBD Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)c1 435627682 SCIYCQDJJBVCMA-UHFFFAOYSA-N 443.459 4.404 5 20 IIBD O=C(NCc1cccc(Cn2ccnc2)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436083822 BBBARACZXJVURO-UHFFFAOYSA-N 444.441 4.134 5 20 IIBD COc1ccc(-c2nnc(SCc3cc(O)ccc3[N+](=O)[O-])n2C[C@H]2CCCO2)cc1 436477461 XAUOHTJOMACTJO-GOSISDBHSA-N 442.497 4.039 5 20 IIBD Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C3)cc1 436973652 UHPNQMAILKSQEE-UHFFFAOYSA-N 446.463 4.451 5 20 IIBD O=C(Nc1n[nH]cc1-c1ccc2c(c1)OCO2)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 437099663 ZUABIBSDEKWOBH-UHFFFAOYSA-N 443.419 4.710 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)NC1(c2noc([C@H]3CCCO3)n2)CCCCCC1 437403289 FWMLUPFSMMBSEN-QGZVFWFLSA-N 445.476 4.209 5 20 IIBD CCc1ccnc(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c1 437705744 FNOLIJNMHASSBR-UHFFFAOYSA-N 441.491 4.264 5 20 IIBD O=C(Nc1ccc(CCN2CCSCC2)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437796395 HSDZRIRLPJBTPJ-UHFFFAOYSA-N 440.569 4.383 5 20 IIBD COc1cc(NC(=O)CCn2ccnc2-c2ccc([N+](=O)[O-])cc2)c(OC)cc1Cl 438841779 MJIVBZNFSSWTQJ-UHFFFAOYSA-N 430.848 4.158 5 20 IIBD C[C@@H](c1ccncc1)N1CCC(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 439737045 XCNXIUCATLPVME-HNNXBMFYSA-N 437.525 4.069 5 20 IIBD CCCN(C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)c1cccc([N+](=O)[O-])c1 441442170 PXMKSPBOKURCTJ-UHFFFAOYSA-N 445.541 4.072 5 20 IIBD C[C@H](NC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1cccc([N+](=O)[O-])c1 443581406 LXAHMGGEBYXMAU-HTAPYJJXSA-N 432.480 4.205 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C 444921488 BYQGNPHDSPSEHW-INIZCTEOSA-N 426.395 4.047 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(-c3ccc(S(=O)(=O)Nc4ccccc4)cc3)n2)s1 445479017 FFIUGTRUINICAV-UHFFFAOYSA-N 428.451 4.174 5 20 IIBD O=C(CCSc1ccc(Br)cc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 461404314 DBTSEUFMKBJFAA-UHFFFAOYSA-N 437.315 4.261 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C(=O)N2CCSCC2)ccc1C 462492827 VGCDRQPDSZJLLT-SFHVURJKSA-N 441.553 4.300 5 20 IIBD CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)c1 462629538 URXFBFBEXZHCGS-LPHOPBHVSA-N 447.557 4.020 5 20 IIBD COc1ccc(CN([C@@H](C)C2CC2)S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 463697824 SKDHIAGRTMMOMK-HNNXBMFYSA-N 441.509 4.141 5 20 IIBD CN(C)[C@@H](CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1Cl 465480179 RTRKIXMFRNLTEO-NRFANRHFSA-N 446.935 4.104 5 20 IIBD O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)NCc1ccc([N+](=O)[O-])cc1Cl 466518337 YCRGGNMZKXETIZ-HNNXBMFYSA-N 426.281 4.021 5 20 IIBD CC[C@@H]1Oc2cc([C@H](C)N=c3cc(C)[nH]c(-c4ccc([N+](=O)[O-])cc4)n3)ccc2NC1=O 467013001 LFQXKESBFQHWBU-LIRRHRJNSA-N 433.468 4.065 5 20 IIBD CC[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC[C@@H]1c1ccccc1 470203507 CMLHUBUFQJBYNV-NEWSRXKRSA-N 441.553 4.303 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)ccc2O[C@H](C)COC)cc1OC 471183002 VVEZANKNFSTGEW-GFCCVEGCSA-N 438.864 4.322 5 20 IIBD COCc1cc([N+](=O)[O-])ccc1NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 474147207 NBFNKGJZMDPZHA-FQEVSTJZSA-N 439.434 4.245 5 20 IIBD CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 475549599 STWGYTBKOIYYSS-OAHLLOKOSA-N 444.454 4.256 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 475641181 RJJAYAIWFARLJE-HXUWFJFHSA-N 432.908 4.060 5 20 IIBD Cc1cc(-c2csc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)n2)c(F)cc1F 476937168 BYYXMEKLHNEACX-UHFFFAOYSA-N 446.435 4.064 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c1[N+](=O)[O-] 480682905 PRSQDXQWNSODMD-OAHLLOKOSA-N 435.571 4.115 5 20 IIBD CCn1c([C@H]2CCCN2S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])nc2ccccc21 481018747 GOOUZBRWPBYDNB-GOSISDBHSA-N 428.514 4.107 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(NC(=O)c2ccco2)cc1 481597274 LOOJINMJZFKPEC-UHFFFAOYSA-N 428.832 4.458 5 20 IIBD CC[C@H](CN(CC)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 482268759 ZTIQSPYIHIGBDA-AEFFLSMTSA-N 429.542 4.303 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCc1nnc(SC)n1C1CCCC1 483102584 VMRZLQVCUGHRIW-UHFFFAOYSA-N 449.602 4.498 5 20 IIBD O=C(NC1(c2ccc3c(c2)OCO3)CC1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 486323667 HCLVHBQZVLXWLW-UHFFFAOYSA-N 432.432 4.322 5 20 IIBD COC(=O)c1cc(NC(=O)N2C[C@@H](C)C[C@@H]2c2cccc(OC)c2)c(C)c([N+](=O)[O-])c1 486869706 CFZPOWWBCKPGBI-RNODOKPDSA-N 427.457 4.313 5 20 IIBD CC1(C)CN(c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])[C@@H]1c1cccnc1 488533989 QJCUHMKCHGVCKE-OAQYLSRUSA-N 444.557 4.142 5 20 IIBD C[C@H](Sc1nnc(COc2ccccc2)n1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 488878057 JIRLJADIYSIBKI-ZDUSSCGKSA-N 438.469 4.206 5 20 IIBD CCn1c(S[C@H](C(=O)N2CCC[C@@H](C)C2)C(C)C)nnc1-c1ccc([N+](=O)[O-])cc1 489410936 VGLSGTYDCNFTSS-QAPCUYQASA-N 431.562 4.248 5 20 IIBD Cc1ccc(S(=O)(=O)N(Cc2nnc(C(C)C)o2)c2cccc([N+](=O)[O-])c2)c(C)c1 489529370 UUQDBUIOVQVKLH-UHFFFAOYSA-N 430.486 4.114 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1nc(-c2cccc(OC)c2)no1 489927997 GUGKQPAIXUDANO-GFCCVEGCSA-N 428.470 4.256 5 20 IIBD COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 490780835 DCSJFHYHGYWPHC-OAQYLSRUSA-N 431.920 4.311 5 20 IIBD CCOC(=O)[C@@H]1CCCc2sc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc21 493304656 OGKBVNNWBDBXQO-LLVKDONJSA-N 443.403 4.305 5 20 IIBD O=C(NCc1cccc(COCc2ccccc2)c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 494692626 VGQNURSJSBLQIT-UHFFFAOYSA-N 449.511 4.055 5 20 IIBD C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CCC[C@@H](c2nccs2)C1 494821551 SQQAYNAOZVREPC-UKRRQHHQSA-N 443.554 4.381 5 20 IIBD O=[N+]([O-])c1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1 497949129 CVSKGEPIAWQLHI-HNNXBMFYSA-N 436.408 4.189 5 20 IIBD CC(C)(C)S(=O)(=O)Cc1ccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1 498035259 DZWUAGIGAJNIBF-UHFFFAOYSA-N 433.530 4.139 5 20 IIBD O=C(COc1cccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1)Nc1ccccc1 498168402 BYXYDYIOUMYMGN-UHFFFAOYSA-N 442.431 4.413 5 20 IIBD CCCN(Cc1ccc(F)cc1)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 499521869 WZDXEDCNZLLLTO-UHFFFAOYSA-N 429.477 4.066 5 20 IIBD CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)c1c(N)cccc1[N+](=O)[O-] 499633106 BIHBOZJQNGLUCM-UHFFFAOYSA-N 426.448 4.456 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(I)c(Cl)c1 501197724 RZHQLRUHOSRUHN-UHFFFAOYSA-N 430.629 4.091 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1cnc(-c2ccco2)s1)c1ccccc1[N+](=O)[O-] 504386436 AFCCMJNVNCEFHA-AWEZNQCLSA-N 429.454 4.124 5 20 IIBD C[C@@H](NC(=O)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)c1ccc(OC(F)(F)F)cc1 504555923 PWLVHDPNIUSEQA-CYBMUJFWSA-N 434.374 4.234 5 20 IIBD CC(C)(CCCc1ccccc1)CNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 505974810 CDKDXUNGELDAEA-UHFFFAOYSA-N 431.920 4.143 5 20 IIBD CCOC(=O)c1cc(C(=O)N(C)c2ccc(Br)cc2Cl)cc([N+](=O)[O-])c1 508155892 BRUALJSVGDZWOS-UHFFFAOYSA-N 441.665 4.464 5 20 IIBD COCCOc1ccc(C(F)(F)F)cc1NC(=O)CSc1cccc([N+](=O)[O-])c1 509649166 CQOGAJYZYHVAID-UHFFFAOYSA-N 430.404 4.370 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 509781711 GXGWXJBXSMPCBO-CYBMUJFWSA-N 431.876 4.327 5 20 IIBD O=C(c1cccc(CS(=O)(=O)c2ccccc2)c1)N1CCCc2ccc([N+](=O)[O-])cc21 509961391 XKOQTDFEKSQRSW-UHFFFAOYSA-N 436.489 4.162 5 20 IIBD COc1cc(C(=O)Nc2ccccc2-n2nc(C)cc2C)c([N+](=O)[O-])cc1OC(F)F 512332006 MIAPVTCQQNNYBP-UHFFFAOYSA-N 432.383 4.260 5 20 IIBD O=C(Nc1ccc(O)cc1)C1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 512630117 VBBCCOOUWRMBMV-UHFFFAOYSA-N 438.509 4.275 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)c(C)c1O 513806918 RJXSAEFEKHWWJD-UHFFFAOYSA-N 426.210 4.083 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)ccc1O 513807468 BLKWNQRPWAGYCY-UHFFFAOYSA-N 432.601 4.119 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)c1ccc(Oc2cccnc2)cc1 514696830 MSJBJTFGJLLLMH-OAHLLOKOSA-N 434.452 4.160 5 20 IIBD O=C(Nc1ccnn1Cc1ccc(Cl)c(F)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 520187481 PDEOCNHWYDPMSI-UHFFFAOYSA-N 443.866 4.485 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 522585446 OVNHGROWYKEMSM-CYBMUJFWSA-N 430.823 4.457 5 20 IIBD Cc1ccc(-n2nc(C(C)C)cc2NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)cc1 523516447 GLXQNYRLSUKVMH-UHFFFAOYSA-N 445.483 4.354 5 20 IIBD CC[C@@H]1Oc2cc([C@@H](C)N[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)ccc2NC1=O 524721786 ATJRRYNPCWKXMA-FMTVUPSXSA-N 446.891 4.036 5 20 IIBD COc1cc(C(=O)Nc2ccc(F)c(NC(=O)c3ccoc3C)c2)cc([N+](=O)[O-])c1OC 525042852 QZDZGQJWYZJKBN-UHFFFAOYSA-N 443.387 4.157 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@@H](c1ccncc1)c1ccc(Cl)cc1 530904118 IRWMNFQRUKQJMY-HXUWFJFHSA-N 447.900 4.062 5 20 IIBD CC[C@H](CCO)NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 535911403 UTAZTOHINSPKAE-VZVUQDNOSA-N 425.510 4.412 5 20 IIBD O=C1NCCN1[C@H]1CCCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 536652754 LBWIUMCJZJIBFT-INIZCTEOSA-N 430.892 4.030 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1CN1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 536681192 BPNYLLGQBXFQEY-UHFFFAOYSA-N 437.540 4.397 5 20 IIBD CCc1ccc(C2=CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1 537888516 LTYFTWMFILNNKZ-LJQANCHMSA-N 439.537 4.139 5 20 IIBD CCC[C@H](NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 537918215 FMJFUZTTZKJGHZ-QFIPXVFZSA-N 431.558 4.400 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2CCO[C@H](C(C)C)C2)cc1[N+](=O)[O-] 537922561 MUNWUCYNHGRALJ-UZLBHIALSA-N 442.537 4.481 5 20 IIBD COc1cc(CNc2cnccc2-n2cccn2)ccc1OCc1ccc([N+](=O)[O-])cc1 538446054 BPKFUIHAGHSLMP-UHFFFAOYSA-N 431.452 4.375 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(Cc2ccc(Cl)cc2)Cc2cnn(C)c2)c1 539587351 ALIKXZNKUYUEFQ-UHFFFAOYSA-N 442.903 4.288 5 20 IIBD O=C1CCCN1[C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 539834171 GVVZMKBUCDVPQP-HNNXBMFYSA-N 448.317 4.204 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2nncn2-c2ccccc2)cc1 540613402 SAARBMVYXMZNIT-UHFFFAOYSA-N 431.408 4.229 5 20 IIBD Cc1nc(NC(=O)[C@@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] 540655565 DMCNKNQJAVZUJD-BFUOFWGJSA-N 434.855 4.027 5 20 IIBD O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)Nc1cc(Cl)cc([N+](=O)[O-])c1O 540846351 PBWBDUSRZTWKKY-ZDUSSCGKSA-N 428.253 4.049 5 20 IIBD Cc1ccnc(OC2CCN(C(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)CC2)c1 541071585 FYMPSQRNYFNNPJ-UHFFFAOYSA-N 438.528 4.218 5 20 IIBD C[C@H](C(=O)Nc1nc2ccccc2n1CCc1ccccn1)c1ccc([N+](=O)[O-])cc1F 541732086 VOOWBYXTJGFWAD-HNNXBMFYSA-N 433.443 4.464 5 20 IIBD COC(=O)C[C@@H](NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)c(F)c1 542527129 QKMGQQGZWQTGIX-BMLIUANNSA-N 426.803 4.051 5 20 IIBD C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1F 542540576 HLAFLPBKSSBUAL-LBPRGKRZSA-N 441.381 4.332 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@@H](C)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 542589017 RNHFSXBUIBPNJV-GFCCVEGCSA-N 440.481 4.045 5 20 IIBD O=[N+]([O-])c1ccc2nc(O)cc(-c3nc(-c4cc(F)cc(Br)c4)no3)c2c1 544948286 BJUPDYNNLAGRGZ-UHFFFAOYSA-N 431.177 4.467 5 20 IIBD COC(=O)CCC(C)(C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 547290319 MOFKJKXQEQXCLH-UHFFFAOYSA-N 425.279 4.439 5 20 IIBD CC(C)c1noc(Cc2ccc(NC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)cc2)n1 549268576 SWQJDCBECZKFLH-UHFFFAOYSA-N 432.440 4.130 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccccn2)cc1[N+](=O)[O-] 551404150 UXXUBVSORYPUIT-OAQYLSRUSA-N 432.480 4.132 5 20 IIBD CC(C)(c1cccc(C(F)(F)F)c1)c1noc(CCNC(=O)c2ccc([N+](=O)[O-])cc2)n1 560049711 XNYYBJMEXXWMMZ-UHFFFAOYSA-N 448.401 4.295 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)c1 567069551 LCLOEKMHXMDBJM-NSHDSACASA-N 428.436 4.089 5 20 IIBD O=C(c1ccccc1)c1ccc(NCc2ccncc2OC[C@@H]2CCOC2)c([N+](=O)[O-])c1 568316771 QBSYPAUGPXZDNW-QGZVFWFLSA-N 433.464 4.248 5 20 IIBD COc1cc([C@H]2Nc3cccc(C)c3C(=O)N2CCc2ccccc2)cc([N+](=O)[O-])c1O 570069562 WUHYDRHBPDYBBU-QHCPKHFHSA-N 433.464 4.427 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 570432021 ZDOMLMICPSLYJP-HNNXBMFYSA-N 444.850 4.386 5 20 IIBD COc1cc(Cc2noc(-c3cccc(Cn4nc(C)cc4C)c3)n2)c([N+](=O)[O-])c(OC)c1 583123214 BXASJFKILANFIO-UHFFFAOYSA-N 449.467 4.114 5 20 IIBD O=C(N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 591724058 CQTKTTRBGPUJCK-HSZRJFAPSA-N 438.447 4.176 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NCc2cccc(C(=O)OC(C)(C)C)c2)c([N+](=O)[O-])c1 600847588 VMMALIRDNJYFMC-UHFFFAOYSA-N 436.468 4.127 5 20 IIBD COC(=O)CNC(=O)c1ccc(N[C@@H](C)c2cc(F)c(Cl)cc2Cl)c([N+](=O)[O-])c1 603455998 IEZOZJVPDWXGAI-VIFPVBQESA-N 444.246 4.117 5 20 IIBD O=C(Nc1nc2ccc(OCC(F)(F)F)cc2s1)c1cc2c(cc1[N+](=O)[O-])OCO2 603621671 MVGHAOIDZHYIEQ-UHFFFAOYSA-N 441.343 4.127 5 20 IIBD CCS(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cc1 603734740 LXQBJFSSOBELCE-UHFFFAOYSA-N 426.450 4.433 5 20 IIBD Cc1cccc(-n2nnc(C(=O)Nc3ccc([N+](=O)[O-])cc3C(=O)c3ccccc3)c2C)c1 603953031 VKFHKLMDBVVXKL-UHFFFAOYSA-N 441.447 4.276 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(OCc2cccc(F)c2)c1 604254389 PTPOTOXUIMLTQR-OAHLLOKOSA-N 437.427 4.070 5 20 IIBD CC(C)NC(=O)c1ccc(N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 604270612 CBUKVIAUTUHYPU-VXGBXAGGSA-N 427.345 4.300 5 20 IIBD COc1cc(OCC(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)ccc1[N+](=O)[O-] 604456905 IBYANCNYUWFIBA-MTLSGOKSSA-N 444.487 4.396 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 608877400 FBHVPKIGVYRXKB-KZULUSFZSA-N 436.295 4.384 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1 609469682 RDXZVNXCGPSGIR-UHFFFAOYSA-N 428.272 4.327 5 20 IIBD CCCOc1ccc([C@@H](C)NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cc1OC 609548056 QJZGISHOJKFSMQ-CYBMUJFWSA-N 425.441 4.137 5 20 IIBD CC(C)c1cc(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)on1 609621604 OJQBNFTUEJZJCM-UHFFFAOYSA-N 440.422 4.258 5 20 IIBD Cc1c(C[S@](C)=O)cccc1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 609728116 LYCZYKUOMLPCGD-PMERELPUSA-N 443.447 4.241 5 20 IIBD O=C(Nc1ccc(-c2ncon2)cc1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 609857514 SZWADEOEIANXKF-UHFFFAOYSA-N 445.222 4.390 5 20 IIBD CCOc1cc(NC(=O)C(=O)N2CCCCC[C@H]2c2ccco2)c([N+](=O)[O-])cc1OCC 609958910 PUQTZBUQYMDLHT-INIZCTEOSA-N 445.472 4.068 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 610046570 HCWNYGDCQQTVRV-UHFFFAOYSA-N 449.429 4.493 5 20 IIBD CCOC(=O)c1cc(F)c(F)cc1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 610187177 VWBNWQKFLFFNAD-UHFFFAOYSA-N 433.392 4.426 5 20 IIBD Cc1c(Br)cc(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] 611073069 ZALZTMTWVFCLFV-IUCAKERBSA-N 449.145 4.479 5 20 IIBD CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 611253266 OJSQLLKFVTWHQP-UHFFFAOYSA-N 440.283 4.133 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1 619772866 VYNGBMOIJQEFHU-UHFFFAOYSA-N 441.491 4.216 5 20 IIBD CC(=O)c1ccc(N(C)Cc2cccc(NS(=O)(=O)c3ccccc3)c2)c([N+](=O)[O-])c1 727826874 HNYGSVOHIOGIBB-UHFFFAOYSA-N 439.493 4.235 5 20 IIBD CC(C)COc1ccc(CC(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 730370228 RCHGPQWTWWFRSI-CQSZACIVSA-N 434.876 4.396 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 731992879 TVFNBDUNTQYSKG-LBPRGKRZSA-N 445.875 4.183 5 20 IIBD COc1ccc2[nH]cc(CCNC(=O)c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c2c1 733173598 UFAOPKJMBSLHIH-UHFFFAOYSA-N 436.512 4.294 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 738748176 XYNQGPBZPISZQX-LBPRGKRZSA-N 440.374 4.298 5 20 IIBD O=C(O[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 740238243 VHUPDCDMDVGTHG-KRWDZBQOSA-N 443.868 4.334 5 20 IIBD C[C@@H](OC(=O)CCCc1ccccn1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 741335872 CBVWBQIYVUFMSZ-CQSZACIVSA-N 440.481 4.006 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1SC 741956792 HSYHLEPGOIDEFY-SFHVURJKSA-N 435.483 4.121 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccsc2-n2c(C)ccc2C)c([N+](=O)[O-])c1 744516534 RCJUCUQEMRANBV-AWEZNQCLSA-N 443.481 4.256 5 20 IIBD COc1ccc(OCCOC(=O)c2cc(C3CC3)nc3ccc(F)cc23)c([N+](=O)[O-])c1 745594602 UHQTVSOYWZLOQK-UHFFFAOYSA-N 426.400 4.404 5 20 IIBD COc1cccc(N(CC(C)C)S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c1 745833798 FBZGJFUKICZMAE-UHFFFAOYSA-N 443.319 4.217 5 20 IIBD COC[C@@H](C)n1c(SCC(=O)Oc2ccc(C)cc2[N+](=O)[O-])nnc1-c1ccccc1 751062059 BUSTZFGDQJZWQY-OAHLLOKOSA-N 442.497 4.067 5 20 IIBD COc1ccc(CC(=O)OCc2cccc(Br)c2OC(F)F)cc1[N+](=O)[O-] 751704013 MQGIUFXGDVZXLF-UHFFFAOYSA-N 446.200 4.253 5 20 IIBD COc1ccc(C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1OC1CCCC1 751974449 CCLOOQKODWVUKD-UHFFFAOYSA-N 439.424 4.332 5 20 IIBD O=C(COC(=O)c1ccc(F)cc1[N+](=O)[O-])NCCC(c1ccccc1)c1ccccc1 758112985 IBHIMWNKEHMFJF-UHFFFAOYSA-N 436.439 4.229 5 20 IIBD CC(C)(C)c1ccc(C(=O)OCc2ccc(S(=O)(=O)C(F)F)cc2)cc1[N+](=O)[O-] 760424627 APFGEJWGAVMXME-UHFFFAOYSA-N 427.425 4.246 5 20 IIBD O=C1Nc2cc(Cl)ccc2C1=C1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 761069476 GAVGDEMPBBOLNF-UHFFFAOYSA-N 436.855 4.371 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(NCc2nccn2CCCc2ccccc2)cc1Cl 764161091 CHYUIMYRPFUPBN-UHFFFAOYSA-N 428.876 4.476 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@H](C)Cc1ccc(Br)cc1 766239298 YAVYDPYLZMBQKQ-CYBMUJFWSA-N 435.274 4.026 5 20 IIBD CCOc1ccc2ccccc2c1COC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 766387373 UFRIQCPQWNRQQC-UHFFFAOYSA-N 448.431 4.157 5 20 IIBD Cc1ccc(C(=O)N(C)c2ccc(OS(=O)(=O)c3cc([N+](=O)[O-])c(C)s3)cc2)cc1 767663990 IUFSXQIKHVHPRQ-UHFFFAOYSA-N 446.506 4.317 5 20 IIBD CN(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Cc1nnc2ccccn12 769205189 XOYPTUCVLURNMC-UHFFFAOYSA-N 439.479 4.122 5 20 IIBD C[C@H](OC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 769674576 YAHJMIHIVHEHTJ-JTQLQIEISA-N 437.235 4.473 5 20 IIBD Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3cc(Br)ncc3[N+](=O)[O-])o2)cc1 769825964 NWDYXBCOBXNWDV-SNVBAGLBSA-N 433.218 4.029 5 20 IIBD Cc1nn(C)c(C)c1[C@@H](OC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(F)(F)F 770607719 QBLSDDLAVXMHDD-CYBMUJFWSA-N 436.184 4.168 5 20 IIBD C[C@H](NC(=O)COC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccc(Cl)cc1 773601253 WTXXSALVZVRZKP-QMMMGPOBSA-N 447.694 4.106 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cc(-c3ccccc3)nc3c1c(C)nn3C)CC2 773991083 USWBRZFYQWUERS-UHFFFAOYSA-N 427.464 4.363 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCc2ncc(NC(=S)Nc3ccc([N+](=O)[O-])cc3)cc2C1 776732618 OBZKTTFMUNXMDQ-OAHLLOKOSA-N 443.529 4.181 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 778053761 CYXUGWPJCRYUGB-QMMMGPOBSA-N 449.227 4.475 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)CCNC(=O)c1ccc(Br)cc1 778749415 TYSRSIJKBUEEMY-ZDUSSCGKSA-N 435.274 4.090 5 20 IIBD COC(=O)[C@H](NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)c1cc(F)ccc1F 779178420 KGWPIIWYPBIGKI-HXUWFJFHSA-N 432.379 4.146 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 779897321 VLUHZPLBGHJPBN-OAHLLOKOSA-N 437.562 4.474 5 20 IIBD CCOC(=O)c1ccc(NC(=S)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 782388821 XKUIDMPCWBDYNG-UHFFFAOYSA-N 427.404 4.277 5 20 IIBD CCc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc([N+](=O)[O-])cc1Cl 783939770 QABRGZMTAHYKKB-GOSISDBHSA-N 430.917 4.242 5 20 IIBD O=C(Nc1cnc(Cl)c(Br)c1)c1sc(Br)cc1[N+](=O)[O-] 784248696 SAWZCWVQFHVECE-UHFFFAOYSA-N 441.488 4.482 5 20 IIBD O=C(Cc1cccc(OCC(F)(F)F)c1)O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 784529378 GNBKOBTZJQZMEI-HZPDHXFCSA-N 427.379 4.002 5 20 IIBD Cc1nn(C)c(Nc2cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)c1[N+](=O)[O-] 784655929 AHJYUQWOSIJSMJ-UHFFFAOYSA-N 429.399 4.424 5 20 IIBD CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 785382272 XCHVKODCRKFOQO-IBGZPJMESA-N 433.386 4.194 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(-c2ccncc2)nc2ccccc12 785417631 FPQDZWIJKOBKBV-UHFFFAOYSA-N 442.431 4.309 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H](O)c1c(F)cccc1Cl 786413146 LWTIHVOUKACFKT-JDNHERCYSA-N 445.672 4.310 5 20 IIBD CN1CCC2(CC1)C[C@@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1ccccc1O2 790524950 OCPROAUTHOCSHG-GOSISDBHSA-N 447.894 4.034 5 20 IIBD COc1ccc(NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)cc1OCc1cccnc1 791212223 SEJFGVQBTFDAGD-UHFFFAOYSA-N 440.431 4.035 5 20 IIBD COc1ccccc1C/C(C)=C/C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791246698 YCGBFNUECKNCPH-WYMLVPIESA-N 445.313 4.440 5 20 IIBD O=[N+]([O-])c1ccc(Br)c2c1CN(Cc1cccc(Br)n1)CC2 794551718 ABOIAXXMWRTROU-UHFFFAOYSA-N 427.096 4.073 5 20 IIBD CCOC(=O)/C(=C\c1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)c1ccc([N+](=O)[O-])cn1 794949948 RLVRHEXDIBQXPS-YVLHZVERSA-N 439.380 4.270 5 20 IIBD CC(C)(C)OC(=O)N1CC=C(CCNc2ncc([N+](=O)[O-])cc2Br)CC1 795257047 INVZPBWEKVAJPZ-UHFFFAOYSA-N 427.299 4.122 5 20 IIBD COc1ccc(-c2nc(COC(=O)c3cccc([N+](=O)[O-])c3OC)cs2)c(OC)c1 796306869 XEKRKJUYJBULAE-UHFFFAOYSA-N 430.438 4.101 5 20 IIBD CC(C)O[C@H](C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 796413621 KHHUAXHURCUYKV-SFHVURJKSA-N 440.374 4.262 5 20 IIBD C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(O)(c2scnc2Br)CC1 797603887 DWJZNRCGFMDZBV-UKTHLTGXSA-N 438.347 4.201 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(C)(C)C 798807157 SPAZRNIYWCSFFN-CQSZACIVSA-N 444.326 4.027 5 20 IIBD Cc1nc(-c2ccc(C(=O)OCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])cc2)cs1 799518974 NKBBQSMFBQMFFC-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F 800620777 BWGXNXZRROSQHW-PWSUYJOCSA-N 441.381 4.308 5 20 IIBD C[C@@H](OC(=O)c1nc2ccccc2cc1Br)C(=O)Nc1cccc([N+](=O)[O-])c1 808703389 LSTBWMUPHHDJKU-LLVKDONJSA-N 444.241 4.090 5 20 IIBD O=C(c1cccc(F)c1)N1CCCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 809935980 UFEMIJCTXOEUFY-UHFFFAOYSA-N 426.275 4.389 5 20 IIBD COc1cccc(CO[C@@H](C)C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 811220918 UYKKDRBMODSMHU-AWEZNQCLSA-N 428.466 4.375 5 20 IIBD CC[C@H](C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)n1nnc(-c2ccc(Cl)cc2)n1 811932827 MHNITJWDALYREF-QGZVFWFLSA-N 449.298 4.165 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC12CCC2 813878356 NCWOXSSCXJNEHY-LJQANCHMSA-N 444.576 4.475 5 20 IIBD C[C@H](C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1)c1ccc([N+](=O)[O-])cc1F 816854529 NOAVHCYTXWSPIC-GJZGRUSLSA-N 435.496 4.276 5 20 IIBD O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)Nc1ccc(F)c([N+](=O)[O-])c1 844139928 XAWMYOJMSJYAQK-UHFFFAOYSA-N 438.824 4.080 5 20 IIBD Cc1cccc(O[C@@H](C)C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 848977143 IJTMJBVZNGBICM-STQMWFEESA-N 440.374 4.260 5 20 IIBD COc1ccc(CSc2nnc(-c3cc(Cl)ccc3Cl)n2N)cc1[N+](=O)[O-] 915792074 KBTZVXMJRBTQFR-UHFFFAOYSA-N 426.285 4.175 5 20 IIBD CC1=C(C(=O)N(C)C)[C@H](c2ccc(C)c([N+](=O)[O-])c2)NC(=S)N1c1cc(C)cc(C)c1 916169230 SKBFZKCKRSGIAU-NRFANRHFSA-N 438.553 4.318 5 20 IIBD COC(=O)CCc1c(C)nn(-c2ccc(C(=O)Oc3cc([N+](=O)[O-])ccc3C)cc2)c1C 916402648 XFHXVQZHLPCWBL-UHFFFAOYSA-N 437.452 4.031 5 20 IIBD CCN(C(=O)c1ccccc1[N+](=O)[O-])c1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1 916505839 HZNSQNUYXAZWDO-UHFFFAOYSA-N 434.408 4.422 5 20 IIBD O=C(OCc1nc(O)c2ccc(C(F)(F)F)cc2n1)c1cc2cc([N+](=O)[O-])ccc2[nH]1 919516806 ZSWUNTSKIVJBQE-UHFFFAOYSA-N 432.314 4.101 5 20 IIBD Cc1c(C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cnn1C1CCCC1 1116414736 SWEBRBAUYJOVQB-UHFFFAOYSA-N 440.378 4.029 5 20 IIBD CCCN(C[C@H]1COc2ccccc2O1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 1263697443 YUICJYURGIKHAY-IBGZPJMESA-N 439.512 4.277 5 20 IIBD O=C1C[C@H](c2nnc(COc3ccccc3[N+](=O)[O-])o2)CN1c1cccc2ccccc12 1322151642 QHKKAUQHPOFRGR-INIZCTEOSA-N 430.420 4.231 5 20 IIBD O=[N+]([O-])c1ccccc1OCc1nnc(-c2csc(COc3ccc(F)cc3)n2)o1 1345740399 NZCGRFMVOAOBKH-UHFFFAOYSA-N 428.401 4.398 5 20 IIBD Cc1nc(F)ccc1C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1 1785750092 PJSJYOULFNORQZ-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD CCc1oncc1C(=O)Nc1ccc(C2(NC(=O)Cc3cccc([N+](=O)[O-])c3)CCC2)cc1 1787553194 SWPIEMICKMFUPI-UHFFFAOYSA-N 448.479 4.136 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@H]3CC3(F)F)CCC2)cc1)c1cc(F)cc([N+](=O)[O-])c1 1790696606 NNSJPCRZCQFJEW-QGZVFWFLSA-N 433.386 4.137 5 20 IIBD CC(C)CC(=O)NC1(c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3F)cc2)CCC1 1791183308 DQYRNHGXUAMRBL-UHFFFAOYSA-N 427.476 4.457 5 20 IIBD O=C(CCC1CCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(Cl)cc1[N+](=O)[O-] 1793073867 BRLLYRVBNFWIAY-ACDBMABISA-N 447.963 4.399 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CCCCN2C(=O)CC2CC2)CC1 1826610960 NHFCDQPRXDXHNY-ZJVMWOEPSA-N 425.529 4.028 5 20 IIBD CC1(C)CCC(CC(=O)N2CC3(CCCN3C(=O)/C=C/c3ccccc3[N+](=O)[O-])C2)CC1 1847058727 UQLMVWOVPXYHTQ-CMDGGOBGSA-N 439.556 4.418 5 20 IIBD Cc1ccc(C(=O)c2ccccc2C(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 10863402 WYKYZUWFTJEYBK-INIZCTEOSA-N 432.432 4.318 5 20 IIBD O=C(COC(=O)c1cc(Br)ccc1Cl)Nc1cc([N+](=O)[O-])ccc1Cl 11481671 DQZMMDNVCKGYGR-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)C2c3ccccc3Oc3ccccc32)c([N+](=O)[O-])c1 15705331 OFILZYKXMHXOKU-CQSZACIVSA-N 448.431 4.411 5 20 IIBD O=C(OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1SCc1ccco1 16155988 WTTCYJQKYPBTFU-UHFFFAOYSA-N 438.461 4.226 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccc(Cl)cc3)n2C)c([N+](=O)[O-])c1 16731753 CTXYDSJTLJPDAB-NSHDSACASA-N 447.904 4.172 5 20 IIBD Cc1cccc(N2CCN(Cc3ccc(NC(=O)c4ccc([N+](=O)[O-])c(O)c4)cc3)CC2)c1 32018662 KLGSWBHNBTUUGX-UHFFFAOYSA-N 446.507 4.183 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1Oc1ccc(Cl)cc1 63208739 HKGKWDCEAJICCZ-UHFFFAOYSA-N 439.855 4.338 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@H]3CCN([C@@H](C)c4ccccc4)C3)cc2)c(C)c1[N+](=O)[O-] 65140723 GOALMCJOEGNEBT-MBSDFSHPSA-N 447.539 4.022 5 20 IIBD CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)CCn2cc([N+](=O)[O-])nc2C)c1 116173224 VDMUKQSPFMMPOZ-QGZVFWFLSA-N 449.511 4.238 5 20 IIBD COc1ccc(-c2ccc(CNC[C@H]3CCN(c4ccccc4OC)C3)o2)c([N+](=O)[O-])c1 237416866 YELDENXBKJHUGY-QGZVFWFLSA-N 437.496 4.488 5 20 IIBD O=C(O)CCN(Cc1ccc(F)c(F)c1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 238136721 WKEHMPTVMAKGTE-UHFFFAOYSA-N 447.419 4.114 5 20 IIBD O=C(c1ccc(Cl)cc1)N1CCCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 301656414 HXSWDDPZCYTTHJ-UHFFFAOYSA-N 438.709 4.363 5 20 IIBD O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 303635318 PMQJNNAQOYKYDO-JGCGQSQUSA-N 446.488 4.341 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C 428795907 UESFZNYXNUVPEG-KSSFIOAISA-N 437.418 4.323 5 20 IIBD COCCOc1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1Cl 429838571 PCGMTGGKHIAWRK-UHFFFAOYSA-N 429.654 4.288 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O 430487555 XQUZKWWNVMMPIS-GNSUPJDDSA-N 432.517 4.105 5 20 IIBD COc1ccc([C@H]2CCCN2C(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1OC 431773080 NUFUIUQZPDRLMN-MRXNPFEDSA-N 435.274 4.352 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N[C@H]3CC[C@@H](C(=O)N4CCCC4)C3)c([N+](=O)[O-])c2)cc1 435592206 JQHFGQMKUUZMOJ-QUCCMNQESA-N 436.512 4.359 5 20 IIBD Cc1cccc([C@@H]2CCCCN2C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)c1C 435812143 YPJXWYAGGISYCN-IBGZPJMESA-N 435.480 4.232 5 20 IIBD Cc1ccc([C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H](C)S(C)(=O)=O)cc1 437351071 XKPFNWDAOJEVGP-ZHRRBRCNSA-N 428.510 4.427 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 441079665 LRVZDLVDSUOBGE-GFCCVEGCSA-N 428.436 4.197 5 20 IIBD C[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1ccc(C(F)(F)F)cc1 443401075 YLVZZDNYPYGFLY-ZDUSSCGKSA-N 433.386 4.461 5 20 IIBD Cn1cc(-c2ccccc2CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cn1 444260556 OROOLKBAIZTWEG-UHFFFAOYSA-N 444.441 4.290 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1cn(-c2ccccc2)nc1-c1cccs1 444648567 YMJLWSCDXKDIMU-UHFFFAOYSA-N 444.476 4.315 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 444898759 PNBNHHIQVGJHQK-ZDUSSCGKSA-N 449.305 4.014 5 20 IIBD CCOC(=O)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)c2ccccc21 446250884 YIUIDUOCIHZENA-CQSZACIVSA-N 433.258 4.055 5 20 IIBD O=C([C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)N1CCc2ccc([N+](=O)[O-])cc2C1 446432265 VFTQYXKUHUPUMA-IBGZPJMESA-N 448.306 4.091 5 20 IIBD O=C(CCNC(=O)c1ccc(F)cc1)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] 446432484 WPMVUQZLPYCMLJ-UHFFFAOYSA-N 437.427 4.072 5 20 IIBD COc1cc(CNc2ccc(C(=O)N(C)C)c(C)c2)c([N+](=O)[O-])cc1OCC(F)(F)F 446885656 AQDFBYOOKQUBPT-UHFFFAOYSA-N 441.406 4.167 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1F 447633803 GQPBXGATETWROX-UHFFFAOYSA-N 447.419 4.235 5 20 IIBD CN(C(=O)c1ccc(O[C@H]2CCOC2)cc1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 448342470 QQVAFJRNHCOZBP-INIZCTEOSA-N 425.466 4.163 5 20 IIBD Cc1cc(C(=O)N2CCN([C@@H](C)c3ccc(Br)cc3)CC2)cc([N+](=O)[O-])c1 460578839 VQNYKTSCHPLYGK-HNNXBMFYSA-N 432.318 4.185 5 20 IIBD CNc1c(C(=O)Nc2ccc(OC)c(OCc3cn4ccccc4n3)c2)cccc1[N+](=O)[O-] 462932258 ZVCASYUUTWDQGU-UHFFFAOYSA-N 447.451 4.124 5 20 IIBD Cc1cnc([C@@H](NC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C2CC2)s1 465626393 IDDPPQFQMCBFRS-HNNXBMFYSA-N 443.451 4.241 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ccc2nc(Cc3ccccc3)oc2c1 466913810 MCGFCWFRALNDAW-UHFFFAOYSA-N 445.431 4.279 5 20 IIBD Cc1nc(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)oc1-c1ccc(Cl)cc1 467079204 NEDNKKPRHIARNG-UHFFFAOYSA-N 427.891 4.060 5 20 IIBD O=C(N[C@@H]1CCc2c[nH]nc2C1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 467636779 MJKMBSROPPGOEP-CQSZACIVSA-N 428.901 4.410 5 20 IIBD C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)no1 472669339 SLWSIBAAXQYNRE-LBPRGKRZSA-N 445.273 4.217 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 475640368 QYBVUKJFRVOSTQ-UHFFFAOYSA-N 437.500 4.143 5 20 IIBD C[C@@H](CCCO)NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 477693143 IZDRITVBJXKQFS-SUCHYCSPSA-N 425.510 4.412 5 20 IIBD Cn1cc([C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c2ccc(F)cc2)cn1 479614245 HDAWDUPFMBOHCK-IBGZPJMESA-N 437.456 4.110 5 20 IIBD CCOc1cc(N2CCN(c3nc(C(F)F)nc4ccccc34)CC2)ccc1[N+](=O)[O-] 480631993 UATOLJKLKDFFDQ-UHFFFAOYSA-N 429.427 4.201 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)c1C 480990139 PCRWITFRTYIIKY-UHFFFAOYSA-N 443.500 4.179 5 20 IIBD CCCCN1C(=O)C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H]1c1ccc(OC)cc1 481661807 WTYFYQDQAHJHCC-UGKGYDQZSA-N 425.485 4.240 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)Nc2ccn(CC(F)F)n2)cc1[N+](=O)[O-] 482614554 BCYPPXRDGCLOFL-UHFFFAOYSA-N 446.435 4.262 5 20 IIBD CCOC(=O)c1ccc(N2CCCN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)CC2)nc1 484883170 UQSATBQOQWPMKE-UHFFFAOYSA-N 442.516 4.061 5 20 IIBD Cc1ccc(C(=O)N(CC(=O)Nc2ccc(Cl)cc2)Cc2cccnc2)cc1[N+](=O)[O-] 486143279 BMTQOQWXMHTNDO-UHFFFAOYSA-N 438.871 4.233 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@H](c2ccc(OC)cc2)C(F)(F)F)c(C)c([N+](=O)[O-])c1 486874544 XQLZGNFXUIPROY-MRXNPFEDSA-N 441.362 4.124 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)cc1[N+](=O)[O-] 487398231 AEEAJGKCPCWSQS-KRWDZBQOSA-N 442.541 4.402 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(n2ccc(C(F)(F)F)n2)CC1 492307232 FYWORLSYUWBAAM-LLVKDONJSA-N 445.829 4.128 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2cc3c(cc2F)NC(=O)CC3)cc1[N+](=O)[O-])c1ccccn1 492908900 AYLJIEBVKVEAIP-ZDUSSCGKSA-N 449.442 4.439 5 20 IIBD CN(CC(=O)Nc1cccc(F)c1)c1c([N+](=O)[O-])cnc2ccc(Br)cc12 502085719 YJRXIOBRKJZYBZ-UHFFFAOYSA-N 433.237 4.120 5 20 IIBD COCC[C@@H](NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1ccco1 504981280 QRBFQVNHQJNCFY-CQSZACIVSA-N 439.255 4.188 5 20 IIBD COc1cc(OCC(=O)N[C@@H]2CCOc3c(-c4ccccc4)cccc32)ccc1[N+](=O)[O-] 505152317 WVQQBUOFDMCUAW-HXUWFJFHSA-N 434.448 4.289 5 20 IIBD COc1ccc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1NC(C)=O 506146532 DELZZEUKFBDZNU-AWEZNQCLSA-N 449.467 4.382 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CCOC[C@@H]2c2nc3ccccc3s2)cc1[N+](=O)[O-] 507588030 SXGQCUQWWSANDO-RDTXWAMCSA-N 426.498 4.357 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCN(c2cncc3ccccc23)CC1 507847818 ZBFNRXRHXSWWSW-UHFFFAOYSA-N 430.386 4.124 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CCCN2CCOCC2)CC1 507853729 WRBGGSZTMFOQQY-UHFFFAOYSA-N 449.617 4.452 5 20 IIBD COc1cc(CCNC(=O)N2CCC[C@H]2/C=C/c2ccccc2)c([N+](=O)[O-])cc1OC 508054661 TUBCROGKFFLPEG-VYENPZKTSA-N 425.485 4.042 5 20 IIBD COc1ccc(C)cc1C1(CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CCOCC1 510514200 LNVFHWNXWBNGAI-KRWDZBQOSA-N 427.501 4.020 5 20 IIBD CCOc1cc(NC(=O)c2ccc(N3CCCCCC3)nc2)c([N+](=O)[O-])cc1OCC 512028220 ZKQZXVDUHHYRNT-UHFFFAOYSA-N 428.489 4.420 5 20 IIBD C[C@H]1CN(C(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1O 512101296 SRNJTFGZUIRWHZ-XHDPSFHLSA-N 426.416 4.218 5 20 IIBD CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 512303058 PXYKKDRXVCSZOZ-HNNXBMFYSA-N 446.548 4.089 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3ccc(Cn4ccnc4)cc3)cc2[N+](=O)[O-])C1 513784738 XVLMBEIPCHDJTH-KDURUIRLSA-N 447.539 4.252 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 515623953 FJHCEQYNWDBAOL-ZCYQVOJMSA-N 443.503 4.391 5 20 IIBD COc1cc(OCC(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)ccc1[N+](=O)[O-] 519027368 KFMZCTJKAUZQKP-MRXNPFEDSA-N 449.463 4.112 5 20 IIBD COc1cc(OCC(=O)Nc2nc3c(C(F)(F)F)cccc3s2)ccc1[N+](=O)[O-] 519974332 SVKOXVVWFFOMKS-UHFFFAOYSA-N 427.360 4.249 5 20 IIBD COc1cc(OCC(=O)Nc2cccc(OCc3cccc(F)c3)c2)ccc1[N+](=O)[O-] 519980857 UITKCKXTJFSLIL-UHFFFAOYSA-N 426.400 4.339 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNC[C@@H](CO)Cc2ccccc2)cc1 520945802 OQDFADNNYRZDRL-NRFANRHFSA-N 442.519 4.388 5 20 IIBD CCC(CC)NC(=O)[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c2ccccc2O1 522222291 SHGJAQFGBMHHCA-NRFANRHFSA-N 437.452 4.054 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](Cc1ccc(C)cc1)c1ccccn1 522380207 ZOEFYBLGPBVRPP-LAUBAEHRSA-N 434.496 4.207 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NC2CCC(c3ccccc3)CC2)ccc1[N+](=O)[O-] 522472158 BYORREDDELRBOX-POOLCLQXSA-N 435.524 4.350 5 20 IIBD COC[C@@H]1CCN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C1 523492721 JXDODBJMYJJCIS-CYBMUJFWSA-N 429.523 4.464 5 20 IIBD CCOC(=O)c1cc(S(=O)(=O)N(Cc2ccco2)c2ccccc2)cc([N+](=O)[O-])c1C 523820784 CWODPWYRAVVWNS-UHFFFAOYSA-N 444.465 4.068 5 20 IIBD Cc1ccc(C(=O)NCCNc2ccccc2[N+](=O)[O-])cc1NC(=O)Nc1ccccc1 524917463 MHASEXHRHQJIAD-UHFFFAOYSA-N 433.468 4.389 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)cc1OC 535681188 MVBIGZKOABYOMU-UHFFFAOYSA-N 449.463 4.184 5 20 IIBD CCOc1cc(C(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)c([N+](=O)[O-])cc1OC 537458376 YQKYZBYZCSUGDV-UHFFFAOYSA-N 434.408 4.458 5 20 IIBD COc1ccc(C[C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c2ccccc2)cc1OC 538161113 YJAZKKKUANXPFM-JOCHJYFZSA-N 449.507 4.433 5 20 IIBD CC[C@@H](C)n1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2O)nnc1-c1ccccc1 538872216 OZQVCSWABUMIRQ-CYBMUJFWSA-N 427.486 4.261 5 20 IIBD Cc1cc(OCC(=O)O)ccc1NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 539572930 IMPFUNSPLIBULY-GJZGRUSLSA-N 441.484 4.101 5 20 IIBD Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] 539599696 XKVMAIVFAUBAOI-UHFFFAOYSA-N 442.541 4.371 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(c2cc(C)nc(C)n2)CC1 540758197 AHFPHJKAESHGRA-UHFFFAOYSA-N 443.573 4.293 5 20 IIBD COCCN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 542191826 SFJZPQIUYQPWAW-UHFFFAOYSA-N 440.905 4.037 5 20 IIBD Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F 542542033 LKTGLSQACWGKBP-LLVKDONJSA-N 427.354 4.077 5 20 IIBD Nc1ccc(-c2noc([C@@H]3CC(=O)N(c4cc(Cl)cc(Cl)c4)C3)n2)cc1[N+](=O)[O-] 545548794 HKXCSKBBSXXQHR-SNVBAGLBSA-N 434.239 4.054 5 20 IIBD O=[N+]([O-])c1ccccc1Cc1noc([C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)n1 546947561 MNQFMKYNFRYCIH-HXUWFJFHSA-N 432.402 4.275 5 20 IIBD COC(=O)CCN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1C 547226467 OHRZMUWGLVHNIV-UHFFFAOYSA-N 425.466 4.237 5 20 IIBD CC[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1cc(F)cc(Br)c1 548601760 WZWLYXWEMQOBNC-ZDUSSCGKSA-N 425.210 4.106 5 20 IIBD O=c1c(Cl)c(N2CC[C@@](F)(c3ccccc3F)C2)cnn1-c1ccc([N+](=O)[O-])cc1 548986698 DBFZXQBSSPHQLJ-FQEVSTJZSA-N 432.814 4.008 5 20 IIBD O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C(=O)NCc1cccc([N+](=O)[O-])c1 550619098 PYWRDLXMYMCXKJ-KRWDZBQOSA-N 437.283 4.214 5 20 IIBD COCCc1nc2cc(NC(=O)c3cc([N+](=O)[O-])cc(Br)c3C)ccc2o1 550656357 AEJCLURXSXVXNH-UHFFFAOYSA-N 434.246 4.248 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC[C@@](O)(C(F)(F)F)CC1 553636229 PTIXTCIBVLDXRL-HNNXBMFYSA-N 434.212 4.189 5 20 IIBD Cc1c(NC(=O)C(=O)NCc2cc3ccccc3s2)cc(Br)cc1[N+](=O)[O-] 560287353 UICOFIDEUCEEHJ-UHFFFAOYSA-N 448.298 4.135 5 20 IIBD O=C(CCC(F)(F)F)N1CCC[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 564128679 MMSCXZHBXMNYOC-OAHLLOKOSA-N 425.407 4.278 5 20 IIBD O=C(CN1CCOc2ccc([N+](=O)[O-])cc2C1)N1CCc2sccc2[C@H]1c1ccccc1 568804107 FXQMLMGNOSAEIR-XMMPIXPASA-N 449.532 4.025 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1CNc1ccc(Oc2ccnc(C(=O)NC)c2)c(F)c1 570860953 CAEMGQWMMVMTOG-UHFFFAOYSA-N 440.431 4.292 5 20 IIBD CCCOc1cc(NC(=O)N2CC[C@@H](n3cc(C)cn3)C2)c([N+](=O)[O-])cc1OCCC 571811141 SPDYFKJXZUNHNE-MRXNPFEDSA-N 431.493 4.156 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 573303941 QSUHFLPDYJZNHY-KRWDZBQOSA-N 440.374 4.106 5 20 IIBD COCCC[C@H](CNC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1ccc(Cl)cc1 575031062 LWMOMCQDDWXLGW-OAHLLOKOSA-N 443.887 4.442 5 20 IIBD O=C(Nc1ncc(Cc2ccccc2F)s1)N1CCOc2ccc([N+](=O)[O-])cc2C1 576625686 IMIDOLJJMCYOBM-UHFFFAOYSA-N 428.445 4.208 5 20 IIBD O=[N+]([O-])c1cc(CN[C@@H](C2CC2)C2(CO)CCOCC2)ccc1Oc1ccc(F)cc1 584426456 AAUMKBCDWKCPGK-QFIPXVFZSA-N 430.476 4.184 5 20 IIBD COC(=O)c1ccnc(NCc2cn(Cc3ccccc3)nc2-c2ccccc2)c1[N+](=O)[O-] 590570039 PWJCMLNIOQPEHM-UHFFFAOYSA-N 443.463 4.300 5 20 IIBD NC(=O)CCCNC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 603639559 LNINTVACZGESCQ-SAPNQHFASA-N 444.491 4.015 5 20 IIBD O=C(Nc1cc(Br)ccc1N1CCOCC1)c1cc2cc([N+](=O)[O-])ccc2o1 603732289 GWDBTQRKGCGPGH-UHFFFAOYSA-N 446.257 4.192 5 20 IIBD CCC[C@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(=O)N1CCc2sccc2C1 608899797 DPAJGEPHIOEJDW-SFHVURJKSA-N 443.569 4.437 5 20 IIBD O=C(Nc1ccc(-c2nc3cc(F)ccc3[nH]2)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 609263352 PISIONRZSCLFFP-UHFFFAOYSA-N 434.383 4.301 5 20 IIBD C[C@H](NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1cc2ccccc2o1 609417991 PTWUJDIZJWYRJK-JTQLQIEISA-N 425.260 4.143 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCS[C@@H](c2ccccc2)C1 609790006 UMTFQOLBFLNIGD-QGZVFWFLSA-N 426.416 4.466 5 20 IIBD O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1ccc([N+](=O)[O-])cc1Br 610041444 PVFYDHJIVAOVAM-UHFFFAOYSA-N 438.241 4.319 5 20 IIBD O=C(NC1CCN(Cc2cccnc2)CC1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611206423 WXANMQYFSFYOKB-UHFFFAOYSA-N 440.569 4.419 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cc2c(C(F)(F)F)cc(O)nc2o1 611506635 AVDRAXGKBBVILG-UHFFFAOYSA-N 429.738 4.086 5 20 IIBD COC(=O)C(C)(C)[C@H]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 614863172 UBAUKVHZXSDBCJ-ZDUSSCGKSA-N 442.462 4.011 5 20 IIBD O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCCOc2ncc(C(F)(F)F)cc2Cl)n1 618571963 ZVYSELRCQRQVBL-KGLIPLIRSA-N 433.818 4.011 5 20 IIBD Cc1ccc(C(=O)N2CCC[C@@H](COC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C2)o1 726358831 OPVMUEUEAROCKH-CQSZACIVSA-N 428.466 4.420 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cn1 727339834 VBDLGUAMIYKVHB-UHFFFAOYSA-N 441.488 4.192 5 20 IIBD C/C=C\c1ccc(OS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c(OC)c1 731215248 SQPXQGAPXQIUIV-ARJAWSKDSA-N 428.260 4.167 5 20 IIBD O=C(OCc1ccc(Cl)c(Cl)c1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 731959286 HKGFVRPVJLNSHW-ZDUSSCGKSA-N 429.281 4.311 5 20 IIBD CC(C)C[C@H](C)Oc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2Br)ccn1 732306953 HJTRZFKOYOKQRJ-ZDUSSCGKSA-N 436.306 4.496 5 20 IIBD O=C(NCCOc1cccnc1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 733940846 JVSPJHUQRXNDLX-UHFFFAOYSA-N 426.860 4.064 5 20 IIBD O=C(COC(=O)CCc1cc(Cl)cs1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 736935116 DHHUWTWUZBURNX-UHFFFAOYSA-N 436.795 4.443 5 20 IIBD CC(C)[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)NC1CCCCCC1 740409138 AJFSBTIRVYVJEL-KRWDZBQOSA-N 441.322 4.378 5 20 IIBD COc1cccc(Oc2ncccc2CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1 741240986 ZUQQGGVJGKIAHN-UHFFFAOYSA-N 448.479 4.321 5 20 IIBD CC[C@@H](c1ccc(F)cc1F)N1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 742418799 ZJYPRUBEMQYGSV-IBGZPJMESA-N 430.455 4.031 5 20 IIBD O=C(OCCc1ccc(C(F)(F)F)cc1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 744218073 SJUKPNCPKRMNKQ-AWEZNQCLSA-N 442.415 4.066 5 20 IIBD CCO[C@@H]1C[C@H](OC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C12CCCCC2 744226888 NLRRZFJQYWRAQH-MSOLQXFVSA-N 446.529 4.159 5 20 IIBD COc1cc(C(=O)OCc2ncc(-c3ccccc3F)o2)c([N+](=O)[O-])cc1OC(F)F 744535426 YXDJFWYJVPQCBW-UHFFFAOYSA-N 438.314 4.356 5 20 IIBD C[C@H](OC(=O)[C@H](C)c1ccc(Br)s1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 745636956 FTPFQRLIWZNAHL-BDAKNGLRSA-N 445.266 4.232 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cccc(-c2csc(C)n2)c1 745673567 NXNVFLZCVGDMTM-LBPRGKRZSA-N 441.465 4.219 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 746864768 HXFINUKIWQFKSG-AREMUKBSSA-N 448.567 4.323 5 20 IIBD CC(C)c1ccc(C(=O)Nc2sccc2C(=O)OCCn2cc([N+](=O)[O-])cn2)cc1 748116167 MVPJLJORSUAFNG-UHFFFAOYSA-N 428.470 4.086 5 20 IIBD Cc1c(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748608465 KNQOZEWDTJNROV-LJQANCHMSA-N 429.429 4.018 5 20 IIBD O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 751219489 QGRAQOFBNMIBRM-UHFFFAOYSA-N 448.602 4.487 5 20 IIBD C/C(=C/C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc([N+](=O)[O-])cc1 752348314 JRGRXPHYSZEGPE-UCQJPZFISA-N 433.804 4.130 5 20 IIBD CC(=O)NCc1ccc(-c2csc(NC(=O)c3cc(F)cc(C)c3[N+](=O)[O-])n2)s1 753352818 LXOJGSOBIKMYII-UHFFFAOYSA-N 434.474 4.116 5 20 IIBD O=C(OCc1cc2c(Cl)cccc2[nH]1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 754722072 VTVHYEHKIHQVCF-HNNXBMFYSA-N 433.873 4.139 5 20 IIBD C[C@H](N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1nc(-c2cccc(F)c2)no1 755040194 QHYGLTLFEKAAPR-MNOVXSKESA-N 433.827 4.115 5 20 IIBD CCOc1cc(COC(=O)c2csc(-c3ccc(OC)c(OC)c3)n2)ccc1[N+](=O)[O-] 755508928 DKEUBFJKAWWJCW-UHFFFAOYSA-N 444.465 4.491 5 20 IIBD O=C(OCc1nnc(-c2ccccc2Br)o1)c1c[nH]c2cc([N+](=O)[O-])ccc12 756765575 IXEYBTYTCPHLBG-UHFFFAOYSA-N 443.213 4.246 5 20 IIBD COc1cc(C(=O)OCc2ccc(Cl)nc2C)c([N+](=O)[O-])cc1OCc1cscn1 757983867 ZZDPKMAQSCYAAF-UHFFFAOYSA-N 449.872 4.353 5 20 IIBD C[C@@H](OC(=O)c1ccc(F)cc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 758114361 PMGBNQWSEXETOQ-CYBMUJFWSA-N 444.415 4.350 5 20 IIBD CC(=O)c1cc([N+](=O)[O-])ccc1OS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1 758407015 FMXUHDAHMXMDFT-UHFFFAOYSA-N 439.392 4.095 5 20 IIBD CC(C)Cn1ncc(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1C(F)F 758850158 PAXVUABPWOWWAB-LLVKDONJSA-N 435.387 4.353 5 20 IIBD COc1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(I)c1 760305336 UNQJPYJOTFJCHY-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 761899174 WWMSSKBVVNMMTQ-MHZLTWQESA-N 444.962 4.405 5 20 IIBD Cc1ccc(C(=O)N2CCSCC2)cc1OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F 762442470 GDZBXZCSBDRZIH-UHFFFAOYSA-N 446.500 4.115 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC=C(c2ccc(C)cc2)CC1 762458391 PLDPWCRAVKOEDF-UHFFFAOYSA-N 440.521 4.488 5 20 IIBD CC(C)(C(=O)OCC(=O)Nc1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1F 762988252 IGFJQWIUWAJGJN-UHFFFAOYSA-N 428.338 4.212 5 20 IIBD O=C(c1cc(F)c([N+](=O)[O-])cc1F)N(C[C@H]1CCCO1)c1ccc(Br)cc1 763425746 HNUJPXWBIOXJDL-CYBMUJFWSA-N 441.228 4.461 5 20 IIBD COc1ccc([C@H](OC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C2CC2)c(C)c1 766610486 XGSNTCLHQFDZBB-JOCHJYFZSA-N 440.452 4.294 5 20 IIBD O=C(N[C@H](Cc1ccc(Cl)cc1)c1ccccn1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 767991667 RSVLGCCNAHHNFA-LJQANCHMSA-N 426.816 4.265 5 20 IIBD Cc1ccc(Sc2ccc(-c3nc(-c4c([N+](=O)[O-])ncn4C)no3)cc2[N+](=O)[O-])cc1 771392719 YVJGVHCFFZNXRW-UHFFFAOYSA-N 438.425 4.413 5 20 IIBD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NC[C@@H](O)c2cccc(OCc3ccccc3)c2)n1 774222026 BGKZRUHDEAZOAA-YTFSRNRJSA-N 436.512 4.177 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N1CCC(O)(C(F)F)CC1 778309763 WBSHJBGDOZBVEU-QGZVFWFLSA-N 439.846 4.020 5 20 IIBD COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34 781448243 JVYYFFPFBUFEFZ-NVQXNPDNSA-N 443.499 4.072 5 20 IIBD CC(C)S[C@@H]1CCCC[C@H]1OC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 781493524 OXMTVZORIFOIKP-NVXWUHKLSA-N 436.559 4.484 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC1(c2ccc(Br)cc2)CCC1 781626828 VYEYUKQOUFJXCL-UHFFFAOYSA-N 448.273 4.394 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@H](N3CCCCC3=O)C2)cc1OC 782042832 VYGGNAMFORGSSD-HKUYNNGSSA-N 433.549 4.005 5 20 IIBD COc1ccc(NC(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1[N+](=O)[O-] 782814498 JHUOBJAXNQJWHU-KUHUBIRLSA-N 429.473 4.444 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)OCc1nnc(-c2ccc(F)cc2)n1C 789715346 ICOKZHHNSNHAKG-UHFFFAOYSA-N 430.461 4.387 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCc2cc(Br)ccc2C1 790570020 HLNKPEUPRONERE-UHFFFAOYSA-N 427.657 4.277 5 20 IIBD CN(C)c1cc(F)c(C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)cc1[N+](=O)[O-] 791218774 MXDVNCNSJYHXIM-UHFFFAOYSA-N 443.479 4.460 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc([N+](=O)[O-])c1C 791689896 PTKNCHTYIQBJHE-INIZCTEOSA-N 441.484 4.086 5 20 IIBD Cc1nc2ccccc2n1C1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 794039964 BULZRIXNQWSMGA-UHFFFAOYSA-N 430.867 4.452 5 20 IIBD CNC(=O)Oc1cccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1 795013460 ZZZCDNKMEMTFJS-GASCZTMLSA-N 426.473 4.048 5 20 IIBD O=C(Cc1noc(-c2cc([N+](=O)[O-])ccc2N2CCCCC2)n1)Nc1ccc(Cl)cc1 795690582 VTMMVJSQLSMOFF-UHFFFAOYSA-N 441.875 4.470 5 20 IIBD O=C(CCSCc1ccccc1)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 796699913 NGOSXVKDPDJELL-GOSISDBHSA-N 428.510 4.066 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 801973579 PNBZOBFAGVDHIT-RDJZCZTQSA-N 444.536 4.003 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cc(Br)ncc1Cl 805625486 WXWKTUDECSJNII-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)c(Cl)cc1Cl 809810306 SLWOKNAIVXGCBE-ACJLOTCBSA-N 445.324 4.348 5 20 IIBD CC[C@H](C)Oc1ccc(NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1 810392869 GIFYURCLPZXIEQ-NSHDSACASA-N 436.262 4.112 5 20 IIBD O=C(Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 812969554 UVCRODXAJNWSCY-UHFFFAOYSA-N 434.235 4.160 5 20 IIBD COCCNC(=O)c1ccc(Cl)c(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 812970720 SOTOJTSFAADFKW-UHFFFAOYSA-N 446.674 4.184 5 20 IIBD COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)O[C@@H](C)C[N+](=O)[O-])s1 814039104 XTFFVJMXSOAGFG-AWEZNQCLSA-N 427.482 4.313 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCC(OC[C@H]2CCCO2)CC1 815347249 XVFKYBQMLYQGKW-RRWXTXHCSA-N 430.457 4.047 5 20 IIBD CC[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C(=O)Nc1ccc(OC)cc1 815512484 XANRDTDCVATLJY-MRXNPFEDSA-N 426.347 4.196 5 20 IIBD CCNc1ccc(C(=O)O[C@@H](C)C(=O)Nc2c(C(C)=O)oc3ccccc23)cc1[N+](=O)[O-] 821855414 UXYCBVUELDOISK-ZDUSSCGKSA-N 439.424 4.159 5 20 IIBD CCOC(=O)c1c(C)oc2ccc(OC(=O)c3cc(OC)c(OC)cc3[N+](=O)[O-])cc12 913016833 CFNIEUKDOOQBFW-UHFFFAOYSA-N 429.381 4.063 5 20 IIBD C[C@@H](OC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 913268311 ZKUBQSIAAXLRND-OAHLLOKOSA-N 448.435 4.423 5 20 IIBD CC(C)Cc1ccc(C(=O)C2CCN(C(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)cc1 915604826 SKOKIHLOQIIYOG-UHFFFAOYSA-N 448.523 4.265 5 20 IIBD O=C(Nc1ccccc1COc1ccccc1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 917866666 GYVNONAROIZXPQ-QGZVFWFLSA-N 449.438 4.305 5 20 IIBD COc1cc(C(=O)N2Cc3ccccc3[C@H](C)C2)c([N+](=O)[O-])cc1OCc1cscn1 919883618 KKNWPPJQNHKEKQ-CQSZACIVSA-N 439.493 4.398 5 20 IIBD Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)Oc1ccc(-c3ccccc3)cc1[N+](=O)[O-])C2=O 920330445 DQNLJDPEKFECKD-OAHLLOKOSA-N 430.416 4.160 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC(=O)Nc1cccc2ccccc12 920776826 DULYGCALECHGNI-ZDUSSCGKSA-N 428.828 4.351 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])OCc1nn(-c2ccc(F)cc2)c2c1CCC2 921092562 ZARSNQAGIXHXAZ-UHFFFAOYSA-N 427.457 4.244 5 20 IIBD COc1ccc(OC)c(COC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 921245202 FYNLDHBUMABIQZ-UHFFFAOYSA-N 431.388 4.466 5 20 IIBD CN(C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Br)C1)C(=O)OC(C)(C)C 1321393293 CQUIYSFISIDMSQ-ZDUSSCGKSA-N 428.327 4.046 5 20 IIBD CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 1322339432 OOZSMPVFVHRPFF-UHFFFAOYSA-N 425.485 4.459 5 20 IIBD CC(C)n1ncc2c1[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)CCC2 1323866930 MZZJMNDALPVUDN-CYBMUJFWSA-N 433.317 4.035 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3nccc4[nH]ccc34)CCC2)cc1)c1ccc([N+](=O)[O-])o1 1785748821 JTOFQZITOYVEHR-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD CO/C=C(\C)C(=O)Nc1ccc(C2(NC(=O)CCc3cccc([N+](=O)[O-])c3)CCC2)cc1 1789428829 FQUYOSZEUIBTCC-WUKNDPDISA-N 437.496 4.212 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cc(F)cc([N+](=O)[O-])c4)cc3)CCC2)c[nH]1 1790696459 HKEMSNQULARNDA-UHFFFAOYSA-N 436.443 4.432 5 20 IIBD CCO/C=C/C(=O)NC1(c2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2)CCC1 1790699019 HTCZLVHVJILVRW-DHZHZOJOSA-N 427.432 4.032 5 20 IIBD Cc1ocnc1C(=O)NC1(c2ccc(NC(=O)c3cccc(F)c3[N+](=O)[O-])cc2)CCC1 1790701632 YMXKVQSSNCYDQX-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C2(NC(=O)C34CC(C3)C4)CCC2)cc1 1790795435 UXLGINUUGGJGON-UHFFFAOYSA-N 448.523 4.209 5 20 IIBD Cc1csc(CCC(=O)N2CCC3(CCCN(C(=O)c4ccc([N+](=O)[O-])o4)C3)CC2)c1 1804643229 CXQLSBAMNKIQNA-UHFFFAOYSA-N 445.541 4.035 5 20 IIBD Cc1cc(C)c(C(=O)N2CCC3(CCCN(C(=O)c4ccc([N+](=O)[O-])o4)C3)CC2)c(C)c1 1804650049 OOTGIOKBIRIPJL-UHFFFAOYSA-N 439.512 4.272 5 20 IIBD CCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(C)c([N+](=O)[O-])c2)[nH]n1 1821938817 JQYIJKJRCUGVLO-SFHVURJKSA-N 441.532 4.297 5 20 IIBD O=C([C@@H]1C[C@@H]1C1CC1)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830612901 LLZFVXJEETWOIQ-YPAWHYETSA-N 443.519 4.013 5 20 IIBD CC[C@H](C)CC(=O)N1CC2(CCCN2C(=O)CCCc2cc(C)c(F)cc2[N+](=O)[O-])C1 1841506150 KLMXFDLCSCRSLD-INIZCTEOSA-N 433.524 4.005 5 20 IIBD Cc1cc(Cl)ccc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCc1cccc([N+](=O)[O-])c1 1847362414 UALDCSQGTRFBFQ-SFTDATJTSA-N 441.915 4.005 5 20 IIBD Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)n2C)cc1 10263776 LTAYSGSPVXVDMS-GFCCVEGCSA-N 431.905 4.471 5 20 IIBD CN(C(=O)CSc1nnc(-c2ccccc2)n1Cc1ccco1)c1ccc([N+](=O)[O-])cc1 12344625 NUQISDIZAIGTDJ-UHFFFAOYSA-N 449.492 4.250 5 20 IIBD COc1cc(CCNC(=O)c2ccc(SC(F)(F)F)cc2)c([N+](=O)[O-])cc1OC 16143935 JEKYCOHCRZLSNE-UHFFFAOYSA-N 430.404 4.196 5 20 IIBD CCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC(=O)Nc1c(Cl)cccc1Cl 27563372 ZGVYFRQULNJHQN-UHFFFAOYSA-N 439.299 4.109 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)c1cccc(C(C)C)c1 62527674 YGBWYNVURBSAEB-FQEVSTJZSA-N 429.542 4.233 5 20 IIBD CNc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)cc1[N+](=O)[O-] 69063758 UKBDPKYLKZDEQT-DEOSSOPVSA-N 447.491 4.442 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1OCc1nnnn1-c1ccc(Cl)cc1C(F)(F)F 72013805 MSUHBYDKBGYWAZ-UHFFFAOYSA-N 434.161 4.475 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCc1ccccc1N1CCCCC1 302034149 JJISBOFEJCOFMQ-UHFFFAOYSA-N 425.457 4.194 5 20 IIBD O=C(NC1CC1)c1ccc(NCc2cc3cc(Br)ccc3[nH]2)c([N+](=O)[O-])c1 302234102 ZWRJIHOEIXMMPT-UHFFFAOYSA-N 429.274 4.343 5 20 IIBD COc1ccc(CSCC(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)cc1[N+](=O)[O-] 409560110 BBBLHATYHLOKNH-XMSQKQJNSA-N 430.526 4.121 5 20 IIBD O=C(Nc1ccc(Cl)c(N2CCNC2=O)c1)c1cccc2c(=O)c3ccccc3[nH]c12 410156518 SJUVZIMCHPGMLY-UHFFFAOYSA-N 432.867 4.117 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3ccc(Cl)cc3n2)c(Br)c1 410325740 LDDQRDLDSYWRIC-UHFFFAOYSA-N 442.678 4.360 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 426184818 AKEYSTDCVHYJDE-IRXDYDNUSA-N 445.344 4.221 5 20 IIBD O=C(Nc1ccnn1Cc1ccc(F)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 429579494 LXHHWLYRZMDZOG-UHFFFAOYSA-N 439.447 4.054 5 20 IIBD COC(=O)c1nc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)sc1C1CC1 430384745 KHXRXDLZANPIIG-UHFFFAOYSA-N 437.452 4.193 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N(CCn1ccnc1)Cc1cccc(Cl)c1 431437811 DANZKZOKLCZICQ-UHFFFAOYSA-N 429.864 4.188 5 20 IIBD CC1CCN(Cc2csc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)n2)CC1 432910698 FKDJNPSHAPUVNC-UHFFFAOYSA-N 439.335 4.298 5 20 IIBD Cc1ccccc1CN1CCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CC1 435836788 QZNPZJNAPNQYLK-UHFFFAOYSA-N 447.485 4.226 5 20 IIBD CCCC1CCC(N(C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)C(C)C)CC1 435876309 IHSSNTUWVQLVAF-UHFFFAOYSA-N 429.517 4.458 5 20 IIBD CCN(CC)c1ccc(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cn1 436064227 LXRRPPISLOSFQJ-UHFFFAOYSA-N 436.462 4.131 5 20 IIBD CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)c1cccc([N+](=O)[O-])c1O 436762024 BAQRLMGUYMECBL-UHFFFAOYSA-N 434.477 4.487 5 20 IIBD Cc1ccc([C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@H](C)S(C)(=O)=O)cc1 437351067 XKPFNWDAOJEVGP-KSFYIVLOSA-N 428.510 4.427 5 20 IIBD Cc1ccc(-c2cnc(SC[C@@H](O)Cn3cc([N+](=O)[O-])cn3)n2-c2ccccc2)cc1 438792964 PPLITPGKEADAKE-FQEVSTJZSA-N 435.509 4.106 5 20 IIBD CC(C)OC(=O)[C@@H](C)CN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 439650935 RDDTWHBANSJLLW-LIRRHRJNSA-N 433.892 4.105 5 20 IIBD COc1ccc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc1[N+](=O)[O-] 444296351 QHSBAVDJSSWDLV-UHFFFAOYSA-N 425.347 4.129 5 20 IIBD COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1 444297146 IIDLYZODFSFLOV-SHACYNPGSA-N 434.467 4.335 5 20 IIBD C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 444408119 GGAUGQRGNJCFLH-JLTOFOAXSA-N 426.860 4.036 5 20 IIBD COCCO[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1 444466009 UXXAZTDUZQBGIY-MRXNPFEDSA-N 436.917 4.277 5 20 IIBD CCN(CC)C(=O)Cc1ccc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1 444853998 FIVVNSVNFXVJIM-UHFFFAOYSA-N 427.504 4.345 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)NCC1(c2c(F)cccc2F)CCCC1 445023649 ZQOHPIGPQRNZQF-UHFFFAOYSA-N 429.427 4.061 5 20 IIBD O=C(Cc1noc(-c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1)Nc1ccc(Cl)cc1 445300834 LUARWZQJCVXSHD-UHFFFAOYSA-N 426.738 4.498 5 20 IIBD C[C@@H](CC1CCCCC1)c1nc(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)no1 445497838 HXBFDYNTNJDHGB-ZDUSSCGKSA-N 430.461 4.004 5 20 IIBD O=C(NCc1ccncc1)Nc1cccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 447544927 VXDSUSIFMKRYTI-HSZRJFAPSA-N 431.496 4.479 5 20 IIBD CC[C@H](C)C(=O)Nc1cccc(CNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])c1 447803796 UQKNVIHOPOVRCR-KRWDZBQOSA-N 426.517 4.024 5 20 IIBD CS(=O)(=O)CC[C@@H](C(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1)c1ccccc1 448348730 NVKZNAKHKSOZID-OAQYLSRUSA-N 430.526 4.089 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1noc(-c2ccccc2)c1Br 448538284 OEGHYSFLPYKXQJ-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnn1Cc1cccc(OC)c1OC 462431455 XDQPTZJLNXBATF-KRWDZBQOSA-N 438.484 4.064 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCc2cc(-c3cccc(F)c3)ccc21 464870905 BTTNRROVXJMVQK-OAHLLOKOSA-N 433.439 4.109 5 20 IIBD CC[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1nc(C(F)(F)F)cs1 465270351 YXUBGPBNBFEPFN-LBPRGKRZSA-N 425.392 4.137 5 20 IIBD O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H]1c1cc(F)cc(Br)c1 467199193 XXWOZPIMVHRARJ-SJORKVTESA-N 439.281 4.073 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 468358643 OFXBKXQVTFJBMK-UHFFFAOYSA-N 449.510 4.089 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2c(ccn2CC(=O)N(CC)CC)c1 470890245 URBYAQYVFJGKGV-UHFFFAOYSA-N 438.484 4.069 5 20 IIBD Cc1cc(C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c(C(F)(F)F)o1 472538722 ZQNPDQZHRDJCJD-CQSZACIVSA-N 428.363 4.328 5 20 IIBD O=C(N[C@@H]1CC[S@](=O)C1)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 474945005 RRJNWNCCKQPNOZ-ZNNHIBJESA-N 444.456 4.016 5 20 IIBD O=C(NCCc1nnc(-c2ccccc2)o1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 475905740 ABSMJHDEWJIYDB-UHFFFAOYSA-N 430.420 4.410 5 20 IIBD Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)cc1S(=O)(=O)Nc1ccccc1 477324524 RSRNSPZWLMFUKO-UHFFFAOYSA-N 443.456 4.024 5 20 IIBD Cc1cc2sc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)nc2cc1F 478074809 HVDAOJSMMWCJLZ-KRWDZBQOSA-N 442.472 4.204 5 20 IIBD CCOc1cc(NC(=O)N(C)Cc2ncc(-c3ccccc3)[nH]2)c([N+](=O)[O-])cc1OCC 478926841 NVWIDTRELPKXCP-UHFFFAOYSA-N 439.472 4.446 5 20 IIBD Cc1cc(OCC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)c(F)cc1[N+](=O)[O-] 479175702 SQKAVPBDFIKCDI-MRXNPFEDSA-N 429.429 4.454 5 20 IIBD COCCSc1ccc([C@H](C)NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1 479810258 YVNIJFOIQOOPRU-HNNXBMFYSA-N 426.498 4.010 5 20 IIBD O=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 482958371 CIYXXDAJRTZIRC-LJQANCHMSA-N 429.448 4.488 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N1CCOc2ccc(C(F)(F)F)cc21 486331266 XFHMQISFPXQLLT-UHFFFAOYSA-N 437.193 4.477 5 20 IIBD C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccncc2)cc1 486770137 LJKJLLCZYNEOBP-INIZCTEOSA-N 432.480 4.397 5 20 IIBD COC(=O)c1cc(NC(=O)N(C)Cc2ccccc2OC(F)(F)F)c(C)c([N+](=O)[O-])c1 486878744 JOZPTUVUCIZQKH-UHFFFAOYSA-N 441.362 4.252 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1 489903207 YFZDUILBWLXKHX-LJQANCHMSA-N 429.542 4.074 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ncc(I)cc1C 489960181 VJGYFNQSOQXUEJ-UHFFFAOYSA-N 443.266 4.267 5 20 IIBD C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1OCCc2sccc21 490373283 NNGFSGQFFCYACS-QLJPJBMISA-N 429.420 4.177 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 498868803 SZMFOMMUTDDVOW-UHFFFAOYSA-N 431.246 4.194 5 20 IIBD CCCN(CCc1cccc(F)c1)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 499552888 KTGGOVXHONWRQQ-QFIPXVFZSA-N 441.503 4.128 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCOC[C@@H]1c1nc2ccccc2s1 500647750 AZTZLOWGYYGVEP-MRXNPFEDSA-N 447.900 4.227 5 20 IIBD O=C(COc1ccc(-c2ccccc2)cc1[N+](=O)[O-])N1CCN(Cc2ccsc2)CC1 501954894 NTYLTUSWXQUFTC-UHFFFAOYSA-N 437.521 4.047 5 20 IIBD CCOc1cc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OC 502081525 YORQCICLALGWEO-UHFFFAOYSA-N 427.379 4.462 5 20 IIBD Cc1cnc(O)n1-c1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)cc1 502302768 KYIQVYDBKODFAQ-MRXNPFEDSA-N 435.484 4.204 5 20 IIBD O=C(CN1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1)N1CCc2ccc([N+](=O)[O-])cc21 502735676 BUGGYVBJKRFWIS-NRFANRHFSA-N 449.486 4.240 5 20 IIBD COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)COc1ccccc1[N+](=O)[O-] 504938016 YQWBOUJZUPVOSX-HNNXBMFYSA-N 435.274 4.108 5 20 IIBD Cn1cc(C(=O)NCCCO[C@H]2CCCc3ccccc32)c(-c2ccc([N+](=O)[O-])cc2)n1 505539901 ZMDCXJSRKHIRAS-QFIPXVFZSA-N 434.496 4.209 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)C[C@@H]3OCCc4ccccc43)cc2[N+](=O)[O-])C1 506324621 DLZRELAWVFXVJB-RHGYRFJNSA-N 437.540 4.463 5 20 IIBD COc1cc(CCNC(=O)N2CCC[C@@H]2/C=C\c2ccccc2)c([N+](=O)[O-])cc1OC 508054659 TUBCROGKFFLPEG-OEIFXAAASA-N 425.485 4.042 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3nc4ccc(Cl)cn4n3)cc2[N+](=O)[O-])C1 508318763 VKURBNCLYLNQMA-STQMWFEESA-N 428.880 4.026 5 20 IIBD Cc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 508853154 AGOZKJWHOUEVQT-MRXNPFEDSA-N 447.495 4.425 5 20 IIBD O=C(N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 509974463 WMTQPMKXGXQRGF-RDJZCZTQSA-N 445.401 4.260 5 20 IIBD CCOC(=O)c1c(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)sc2c1CCCC2 518123690 TUODUPGCUXOZIV-UHFFFAOYSA-N 440.481 4.150 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cc(Br)ccc1-n1cccn1 519506317 RHZHCJFXBHPUHQ-UHFFFAOYSA-N 440.257 4.136 5 20 IIBD O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 524054798 XXJHHHYDDNMQTQ-UHFFFAOYSA-N 430.386 4.261 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@H](c2ccccc2Cl)C1 524198586 XKJJOYKTODUZMF-SFHVURJKSA-N 425.268 4.271 5 20 IIBD O=[N+]([O-])c1cc2c(c(CN3CCO[C@H](c4ccc(Cl)c(Cl)c4)C3)c1)OCOC2 524305660 APEOPYLDCSKWOG-SFHVURJKSA-N 425.268 4.342 5 20 IIBD CC1(C)[C@H](NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)[C@@H]2CCCO[C@H]21 525082684 YKAHILTYVOSJPR-YMRXKLBXSA-N 439.299 4.021 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1[N+](=O)[O-] 531220251 HQCYANKJCQKWHY-AWEZNQCLSA-N 436.434 4.411 5 20 IIBD Cc1ccnc(-c2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)c2)n1 533327321 PIFDKJAFHABYBT-UHFFFAOYSA-N 438.387 4.180 5 20 IIBD O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 535709758 SJKNSXSSMQPJOQ-NRFANRHFSA-N 439.903 4.001 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)OC(C)(C)O2 536512908 GQDNLBTVPFRWJU-UHFFFAOYSA-N 432.454 4.010 5 20 IIBD CSc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(N(C)C(=O)c2ccccc2)C3)cc1[N+](=O)[O-] 538579442 ULOJEMZPWNABCS-ROUUACIJSA-N 439.537 4.225 5 20 IIBD CC1(C)CC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c2ccccc21 539895445 VZFCECNFHXHKEK-MAUKXSAKSA-N 441.553 4.232 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC[C@H](O)COc1ccccc1[N+](=O)[O-] 541657158 JNJYTAVZDGKFHK-DYVFJYSZSA-N 431.489 4.256 5 20 IIBD COCC(=O)N1CCc2c(NCc3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)cccc21 542691392 NTPSFMMZFOBTIF-UHFFFAOYSA-N 437.452 4.011 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 542986011 NDGOXYSNIQHWHK-IUODEOHRSA-N 436.394 4.258 5 20 IIBD C[C@H](CC(=O)O)c1ccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 543166514 SHDGQAXEDVANCC-SECBINFHSA-N 433.269 4.281 5 20 IIBD C[C@@H](C(=O)NC(C)(C)COc1ccc(C(F)(F)F)cn1)c1ccc([N+](=O)[O-])cc1F 543455815 CVPWPZJDCAYBMI-LLVKDONJSA-N 429.370 4.225 5 20 IIBD C[C@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)Oc1ccccc1Br 543481090 RZDRZFICDMXORG-VXGBXAGGSA-N 425.254 4.184 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3cnc([C@@H]4CCCO4)s3)n2)c(Br)c1 544999264 IWUYPUVHUSTZBO-LBPRGKRZSA-N 437.275 4.306 5 20 IIBD Cc1c(Br)cc(-c2nc(-c3ccnc(N4CCCC4)c3)no2)cc1[N+](=O)[O-] 545050991 UJKYANZTXXRUGK-UHFFFAOYSA-N 430.262 4.378 5 20 IIBD Cc1c(Cl)cccc1-n1ccnc1SCc1nc(Cc2ccc([N+](=O)[O-])cn2)no1 547201460 WACKSJHYZXKOJG-UHFFFAOYSA-N 442.888 4.403 5 20 IIBD Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NCC(=O)Nc1ccc([N+](=O)[O-])cc1C 551350474 RWTQZEIMSWCGBF-HOTGVXAUSA-N 438.528 4.380 5 20 IIBD CCCN(CC(=O)Nc1ccccc1OC)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 552651206 DRLXXTLFMLPTIL-OAHLLOKOSA-N 439.472 4.065 5 20 IIBD Cc1noc(C)c1C(C)(C)NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 557777213 WFKGZGPWXKHYAU-UHFFFAOYSA-N 438.271 4.357 5 20 IIBD CSc1ccc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)cc1[N+](=O)[O-] 558726816 RMSJRIBDYQAFDF-UHFFFAOYSA-N 449.916 4.167 5 20 IIBD CC(C)CN(CCc1ccccc1)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 560180803 NCSDJHRLQUKMQH-UHFFFAOYSA-N 448.317 4.023 5 20 IIBD O=C(NCCCCc1ccc(Cl)s1)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 560749117 WWTADHMMJNUCND-UHFFFAOYSA-N 437.934 4.332 5 20 IIBD Cn1cc(C(=O)N2CCC(c3cccc(F)c3F)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 565515182 XUGALCOTJGABGX-UHFFFAOYSA-N 426.423 4.293 5 20 IIBD CCCCN(C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)[C@H]1CCC[C@@H](C)C1 570878893 JOXQUGXSWMOXNM-AEFFLSMTSA-N 426.517 4.270 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCN(C(=O)c3cccs3)CC2)cc1OC 576374995 IIIUJKIRZSBPKN-MRXNPFEDSA-N 447.557 4.048 5 20 IIBD CC(=O)N(c1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1)[C@H]1C[C@@H]1C 579607509 PLABOUNBXHEBPX-VOJFVSQTSA-N 432.274 4.371 5 20 IIBD O=C(Nc1nncn1-c1cccnc1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 584312025 FGBXPQLZHHVEHE-UHFFFAOYSA-N 449.858 4.088 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CSc3ncnc4c3cnn4-c3ccc(F)cc3)n2)cc1 603679368 ADQVABXUROVRHD-UHFFFAOYSA-N 449.427 4.205 5 20 IIBD COc1cc([C@@H](C)NS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1OCc1ccccc1 604041759 UTFRQFYMKAZOGQ-MRXNPFEDSA-N 442.493 4.222 5 20 IIBD O=C(Nc1nnc(-c2ccsc2)s1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 604118731 FVWFFJZCJBNYNP-UHFFFAOYSA-N 430.389 4.368 5 20 IIBD CCOc1ccc(C(=O)Nc2ccc3c(ccn3CC(=O)N(CC)CC)c2)cc1[N+](=O)[O-] 604530502 FFJIEFVAFDWJKO-UHFFFAOYSA-N 438.484 4.069 5 20 IIBD CCOc1ccccc1Oc1ccc(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)cn1 604533011 PWOQMBAOECQARR-UHFFFAOYSA-N 437.452 4.242 5 20 IIBD C[C@H](CC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C(=O)c1ccccc1 609568199 CBMFFORCPZTRPT-OAHLLOKOSA-N 449.429 4.171 5 20 IIBD COC(=O)COc1cccc(CNc2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])c1 609670102 HFNUAOAPCUMCRR-UHFFFAOYSA-N 449.463 4.319 5 20 IIBD COc1ccc(-c2nsc(NC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 609724277 NRWOMMFARMCIND-UHFFFAOYSA-N 434.861 4.183 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N(Cc1ccc2c(c1)CCO2)C1CCCC1 609762105 FEDNFFVXWDVBJV-UHFFFAOYSA-N 433.464 4.369 5 20 IIBD O=C(c1ccc(Oc2ccncc2)c(Cl)c1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 609882469 VKKJWXQUUKPLBH-HNNXBMFYSA-N 439.859 4.157 5 20 IIBD Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C1 609976588 YKGXOJMKNFPNCE-NVXWUHKLSA-N 437.525 4.201 5 20 IIBD Cc1ccc(NCCCNC(=O)Nc2ccc(Oc3ncccn3)cc2C)c([N+](=O)[O-])c1 610094638 SWYSBBXTJJSIBM-UHFFFAOYSA-N 436.472 4.418 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1cnc(-c2ccccc2)s1 611254357 LOTWPCINXAZJKD-UHFFFAOYSA-N 440.300 4.282 5 20 IIBD COc1c(F)cc(S(=O)(=O)Nc2ccc(F)cc2OC2CCCC2)cc1[N+](=O)[O-] 614485126 RROYJVMZPNEUFB-UHFFFAOYSA-N 428.413 4.004 5 20 IIBD COc1cc(CNC[C@@H](O)c2cccc(F)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 725848509 VDELZZAMHKNQQN-OAQYLSRUSA-N 426.444 4.145 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(CC[C@H](O)c3ccccc3)cc2)c([N+](=O)[O-])c1 727359851 ATFSLRXESZEOQU-NRFANRHFSA-N 442.493 4.070 5 20 IIBD O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 727624630 ZBEZLJQHLNYEOE-UHFFFAOYSA-N 441.793 4.054 5 20 IIBD O=C(OCc1c(Cl)cccc1Cl)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 733557573 DNPNUPFLJUHOLB-CYBMUJFWSA-N 429.281 4.311 5 20 IIBD CCCCCC[C@H](C)C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 741881378 PZHFXTVZSRNDQQ-ZDUSSCGKSA-N 425.532 4.429 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c(Cl)c1 742267962 OEYIHUNCMHLZLE-UHFFFAOYSA-N 427.605 4.231 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCc1ccc(Oc2ccccc2F)c(F)c1 742315909 VEIGUPZXNPPCBD-UHFFFAOYSA-N 438.383 4.283 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@@H]3SCCc4ccccc43)CC2)ccc1[N+](=O)[O-] 744174433 KTQWZZVUGKGSAO-OAQYLSRUSA-N 428.510 4.146 5 20 IIBD C[C@@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1c(F)cccc1Cl 745073634 JTTGIMQKAWVVOY-CYBMUJFWSA-N 436.867 4.255 5 20 IIBD Cc1ccc(CN(C(=O)COC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C2CC2)cc1 745567992 YCCGPFBNKXRMSQ-UHFFFAOYSA-N 436.386 4.270 5 20 IIBD CCc1nc(C)c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)s1 747952648 BHPBXNAEYPLHKQ-SECBINFHSA-N 431.392 4.125 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1C[C@@H]1c1ccc(Br)cc1 748908979 FHNFJRQAAGQHJF-SJORKVTESA-N 434.242 4.071 5 20 IIBD C[C@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 751270978 DVOAAKRTIYPBEQ-ZDUSSCGKSA-N 437.905 4.064 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2nc(CN3CCC(C)CC3)cs2)cc1[N+](=O)[O-] 752190070 GSNYPWPMUFMCGO-UHFFFAOYSA-N 444.966 4.046 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCC1([C@@H](O)c2ccccc2)CC1 752353855 LBFCLMNALXRELM-IBGZPJMESA-N 437.418 4.046 5 20 IIBD COC(=O)c1cc(C(=O)N2CCCc3cc(C)c(Br)cc32)cc([N+](=O)[O-])c1 754182881 RHIWQTLBVCSFNS-UHFFFAOYSA-N 433.258 4.045 5 20 IIBD C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)Oc1cccc(Cl)c1 755013205 OBSJLWZXEFTGKL-SECBINFHSA-N 431.645 4.347 5 20 IIBD CC[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)Oc1cccc(C)c1 755014604 BLUSEPSUXKAXQE-CYBMUJFWSA-N 425.254 4.392 5 20 IIBD COc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)CCc2cccc([N+](=O)[O-])c2)c1 755204955 HIFQMKRADRIROV-XMMPIXPASA-N 434.492 4.298 5 20 IIBD CCOc1cc(COC(=O)c2ccccc2SCC(=O)N2CCCC2)ccc1[N+](=O)[O-] 755506965 IGLIKJHVQVCNMP-UHFFFAOYSA-N 444.509 4.065 5 20 IIBD CNc1nc(C(=O)O[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)cs1 756214710 FWPOJKOUCNGUAH-MRXNPFEDSA-N 446.872 4.283 5 20 IIBD CN1C(=O)C[C@H](COC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]1c1cccc(Cl)c1 759367197 XSMLRDNGOYHGMJ-IVZQSRNASA-N 441.871 4.035 5 20 IIBD O=C(OCc1cc(Br)cc2cccnc12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 759883146 GOIIDZMYDNUJKI-UHFFFAOYSA-N 432.186 4.171 5 20 IIBD CCCN(CCC)C(=O)c1cccc(C(=O)O[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 759948513 MMICWDUTCQYZJM-PMACEKPBSA-N 442.516 4.394 5 20 IIBD COc1ccc(-c2nn(-c3ccccc3)cc2COC(=O)c2cc([N+](=O)[O-])cn2C)cc1 761020691 FYJHIKOWIFKZMH-UHFFFAOYSA-N 432.436 4.152 5 20 IIBD Cc1csc2ncc(-c3nc(-c4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)no3)c(=O)n12 761858773 OVGFTXQQAYDSLR-UHFFFAOYSA-N 447.432 4.482 5 20 IIBD COc1cc(COC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)ccn1 762752772 ALOREESWSDVTMA-UHFFFAOYSA-N 438.461 4.308 5 20 IIBD O=C(Nc1cc(-c2ccc(OC(F)F)cc2)no1)c1cc([N+](=O)[O-])c2nsnc2c1 762814898 IIKGMBBFOAHJGT-UHFFFAOYSA-N 433.352 4.108 5 20 IIBD O=C(O[C@H]1CCCN(c2ccccc2F)C1=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 763696484 MXDUYQMYNKZTAU-INIZCTEOSA-N 426.322 4.105 5 20 IIBD CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1OCC(=O)N1CCCC1 764202887 VCEJLJBTLWFOQY-SFHVURJKSA-N 445.903 4.131 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1Cc2ccc(Br)cc2C1 765206063 DJYFZPBVRMMMKW-SNVBAGLBSA-N 425.666 4.320 5 20 IIBD COc1cccc(NC(=O)[C@@H](OC(=O)c2cccc(OC)c2[N+](=O)[O-])c2ccccc2)c1 769603328 PBAVGBLTAPHHGE-NRFANRHFSA-N 436.420 4.149 5 20 IIBD CC(=O)CCc1ccc(O[C@@H](C)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1 770321020 WZKSKOCQOPGZTO-ZDUSSCGKSA-N 435.274 4.285 5 20 IIBD CC[C@H]1CCCC[C@H]1OCCOC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 770953628 YMDDLDHNKGLSQP-WMLDXEAASA-N 434.518 4.017 5 20 IIBD CC[C@@H](C)c1ccc(-c2nc(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCO4)no2)cc1 771056660 NVGIDXOVHVLZRJ-CYBMUJFWSA-N 438.440 4.111 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1ccc(COc2ccccc2)cc1 774034310 XASAHLARNWBVER-UHFFFAOYSA-N 436.420 4.012 5 20 IIBD Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)c1cccc([N+](=O)[O-])c1Br 774952345 HDZUFVAVLWPUFO-UHFFFAOYSA-N 437.200 4.288 5 20 IIBD C[C@@H](OC(=O)c1ccc(-c2cncnc2)cc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 775095085 MKEIOZLCQVPRMB-LLVKDONJSA-N 444.806 4.028 5 20 IIBD CC[C@H](C)N(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Cc1nc(O)c2ccccc2n1 776151462 OUEDSIYBRZDIQS-ZDUSSCGKSA-N 443.891 4.136 5 20 IIBD CSc1cccc(C(=O)OC[C@H]2CC(=O)N(C)[C@@H]2c2cccc(Cl)c2)c1[N+](=O)[O-] 777320662 ASLNKGRRTGVCNA-FZKQIMNGSA-N 434.901 4.347 5 20 IIBD O=C(Nc1cccc(CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c1)c1ccc(F)cc1 777945234 CDVUIRVWEVZFRZ-UHFFFAOYSA-N 443.381 4.394 5 20 IIBD O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1cc(Cl)ccc1[N+](=O)[O-] 778005374 NKDSTPDQCJDXPS-AWEZNQCLSA-N 428.659 4.090 5 20 IIBD Cc1cccc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1NC(=O)c1ccncc1 778462208 JCJMYRBZPDIIRJ-UHFFFAOYSA-N 438.871 4.176 5 20 IIBD CN(C(=O)c1cccc(C(=O)O[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)c1)c1ccccc1 778791892 SJPDWDVUMCPYJB-HSZRJFAPSA-N 445.475 4.307 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 779383356 CHDIWJBNCOFJGS-AZUAARDMSA-N 435.883 4.228 5 20 IIBD CC(C)[C@H]1C[C@@H](CC(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)CCO1 781563451 KKPPIRZDVPBHEV-QFBILLFUSA-N 430.505 4.223 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCC1(c2c(F)cccc2F)CCCC1 781623214 BFRMSBQEFDZHLH-UHFFFAOYSA-N 433.411 4.342 5 20 IIBD COc1cc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)ccc1F 782091948 AUHSWBAEERMCKK-UHFFFAOYSA-N 442.369 4.115 5 20 IIBD C[C@H](OC(=O)c1cc(-c2cnn(C)c2)ccc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 782411575 LZJVGSQFOXOXEK-LBPRGKRZSA-N 437.387 4.102 5 20 IIBD COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccc([N+](=O)[O-])c(F)c1 783698003 LQVHPWDQMVMQPV-SFHVURJKSA-N 434.420 4.052 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N(Cc1cccc(Br)c1)CC1CC1 788925593 RJPYOUSOPFDGEG-UHFFFAOYSA-N 443.294 4.097 5 20 IIBD COc1ccc(OC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] 792118589 FURKKWQTIKNRRN-HNNXBMFYSA-N 439.251 4.120 5 20 IIBD CC(C)([C@H](OC(=O)c1ccc(-c2nc[nH]n2)cc1)c1ccc(Br)cc1)[N+](=O)[O-] 793203129 INUFFOUYFUIPLR-MRXNPFEDSA-N 445.273 4.188 5 20 IIBD CCOc1cc(N2CCN(C(=S)N[C@@H](CC)c3cccs3)CC2)ccc1[N+](=O)[O-] 795012961 OFWCWVLOWZYTJG-INIZCTEOSA-N 434.587 4.203 5 20 IIBD O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)Nc1ccc(F)cc1Cl 795278528 AHVHJCRMZOFBMD-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD Cc1ccc(Oc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)cc2)nn1 795329221 LSXJTOYFOAPDRU-UHFFFAOYSA-N 438.824 4.079 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 796442002 FKPBWMJMWKPNQA-UZUQRXQVSA-N 442.947 4.173 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CSc1nc2ccccc2c(=O)n1-c1ccc(C)cn1 797407238 LNFKXDKXOSUMFG-UHFFFAOYSA-N 434.477 4.298 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@H]1c1ccccc1 800013356 VPGWUCPTDHWLAT-QFBILLFUSA-N 444.463 4.259 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1cccc2c1CN(CC(F)(F)F)C2 800540735 MVDSDEJZWWHLQN-UHFFFAOYSA-N 431.773 4.446 5 20 IIBD CC(C)(C)c1ncsc1C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 801698690 HUAGGZVXLNURQC-UHFFFAOYSA-N 431.255 4.206 5 20 IIBD Cc1sc(S(=O)(=O)Oc2cccc3cc(Br)cnc23)cc1[N+](=O)[O-] 805124020 FAKSIAIXYBCLKM-UHFFFAOYSA-N 429.273 4.043 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H]2COC(=O)NC2CCCCC2)cc1[N+](=O)[O-] 805172904 RZLGYGAVCAWAFG-APWZRJJASA-N 432.521 4.197 5 20 IIBD Cc1nc([C@@H](C)OC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)no1 811055681 HJVRGXQIXXOFGS-SNVBAGLBSA-N 430.804 4.110 5 20 IIBD COc1ccc2c(c1)OC[C@@H](C(=O)OCc1csc(-c3cccc([N+](=O)[O-])c3)n1)C2 811214935 JUIJNRYNOVGFEE-HNNXBMFYSA-N 426.450 4.021 5 20 IIBD CCOc1ccc([C@@H](O)C2CCN(C(=O)c3cccc(SC)c3[N+](=O)[O-])CC2)cc1 812679214 IDWABORJOCHUDN-OAQYLSRUSA-N 430.526 4.301 5 20 IIBD Cc1nc(SC(F)F)sc1CC(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 813173259 ZNLMJRNHSCUVQW-AWEZNQCLSA-N 443.497 4.035 5 20 IIBD COc1ccc(C2(C(=O)OCc3cc([N+](=O)[O-])ccc3C(F)(F)F)CCOCC2)cc1 815196536 PQRFSOVZSRQRFU-UHFFFAOYSA-N 439.386 4.414 5 20 IIBD C[C@H](OC(=O)CSc1ccccc1[N+](=O)[O-])C(=O)Nc1nc(-c2ccccc2)cs1 819015513 IKNYXOPMAKUIAR-ZDUSSCGKSA-N 443.506 4.381 5 20 IIBD O=c1c2ccccc2nc(SC[C@H](O)c2ccccc2F)n1-c1ccc([N+](=O)[O-])cc1 914580866 XTTOAMBDHLWVIH-FQEVSTJZSA-N 437.452 4.259 5 20 IIBD C[C@@H](OC(=O)[C@@H](C)Oc1ccc2c(c1)CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 915485981 RUICKIJPSDZZBQ-CHWSQXEVSA-N 432.860 4.075 5 20 IIBD C[C@@H](OC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(=O)Nc1ccc2ccccc2c1 915513574 BRXLZSDWNJPTCZ-OAHLLOKOSA-N 430.420 4.118 5 20 IIBD CCNC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 916500043 ITJYIJYEBNHUQU-UHFFFAOYSA-N 426.654 4.013 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 916702939 JVIDFQIXLIGORT-UDWIEESQSA-N 430.424 4.095 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)Nc1ccccc1Cc1ccccc1 919221309 JDETXZNJONDPJW-OAHLLOKOSA-N 449.419 4.278 5 20 IIBD O=C(C=C1CCCCC1)NCCN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 919979397 VCVWQPCVTUBVAN-BOPFTXTBSA-N 449.916 4.291 5 20 IIBD C[C@H](Nc1ccc(C(=O)OCCc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-])c1ccccn1 920546236 WNUNRQPBNKINDQ-HNNXBMFYSA-N 436.424 4.471 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)Oc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 921278068 WYXQEONCSWFKNF-UHFFFAOYSA-N 432.479 4.009 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(Cn1nc(-c3ccco3)n(Cc3ccco3)c1=S)CC2 1322629979 LPUOKWDYPMJNPZ-UHFFFAOYSA-N 437.481 4.239 5 20 IIBD COc1c(Br)cc(Cl)cc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 1327133877 HZNRUVYOKBIKFF-UHFFFAOYSA-N 444.625 4.488 5 20 IIBD CC(C)[C@]1(CO)CCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 1343483652 GGWBTAFJDSMXRE-IFMALSPDSA-N 431.920 4.268 5 20 IIBD Cc1cnoc1C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)CCC1 1790625621 ANBIFOQKJHBCSL-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD Cc1ncoc1C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])cc2)CCC1 1792315681 PSYYIYZPJVLDOA-KPKJPENVSA-N 446.463 4.352 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(F)cccc1Cl)c1cc(F)cc([N+](=O)[O-])c1 1799543040 PEAKKAIFLSRKCX-QDMKHBRRSA-N 449.841 4.092 5 20 IIBD C/C=C/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCc1cc(C)c(F)cc1[N+](=O)[O-])C2 1801628613 NGDIBDMBZSSVDK-MLDRHHQXSA-N 443.519 4.136 5 20 IIBD CCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3cccc([N+](=O)[O-])c3)CCC1)C2 1801653741 JLNYLZCXODKDNQ-REPLKXPHSA-N 427.545 4.091 5 20 IIBD CC(C)(C)CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830614270 PKMHDNOVDMYGLQ-HXUWFJFHSA-N 433.524 4.403 5 20 IIBD CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc([N+](=O)[O-])cc3F)CC2)CCC1 1831290185 BDKCNAGLQJLFAH-NRFANRHFSA-N 445.535 4.086 5 20 IIBD O=C(CC1CC1)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1832902958 HLHZRVSKMLXHAK-RQWLHQTBSA-N 425.529 4.028 5 20 IIBD CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 9663311 OCRPYDIDFLAUJV-CYBMUJFWSA-N 429.477 4.055 5 20 IIBD CCCC[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)Nc1cc(C)on1 10723558 CXMOJDTVJTZBPY-NRFANRHFSA-N 447.491 4.192 5 20 IIBD COc1cc(CSc2nnc(-c3ccccc3F)n2C)c([N+](=O)[O-])cc1OC(F)F 12723977 MVYNYKKNAYSSGD-UHFFFAOYSA-N 440.403 4.432 5 20 IIBD CCOc1cc(C(=O)OCC(=O)Nc2c(C)cc(C)cc2Cl)c([N+](=O)[O-])cc1OC 19474427 TTYLVAGOUXTUNR-UHFFFAOYSA-N 436.848 4.068 5 20 IIBD Cc1nn(-c2ccccc2)c(Cl)c1C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 21111455 MBHVEZMDHVPQNX-UHFFFAOYSA-N 449.250 4.191 5 20 IIBD C[C@@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(Br)c1 23445087 GIDSZRYHUABHBL-SECBINFHSA-N 427.638 4.195 5 20 IIBD Cc1cc(OCC(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)ccc1[N+](=O)[O-] 26332441 NMKKJTDHPKGTLL-UHFFFAOYSA-N 437.374 4.288 5 20 IIBD CCCn1c(SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])nc2ccccc2c1=O 28359999 MRAYZPFCVMSJAM-UHFFFAOYSA-N 432.889 4.099 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(CCN2CCSCC2)cc1 61572390 XXSFQUAJOUMQRF-UHFFFAOYSA-N 428.558 4.017 5 20 IIBD NC(=O)c1ccc(CN[C@H](c2ccccc2)c2ccc(Br)cc2)c([N+](=O)[O-])c1 65277426 RSIDMZGYHYEZJW-HXUWFJFHSA-N 440.297 4.335 5 20 IIBD C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 69525131 YBGDOAAIQADDCX-CYBMUJFWSA-N 437.905 4.064 5 20 IIBD COc1cccc(C[C@@H]2CCCN2C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c1 108363943 FTYFUOYUPQRHJB-QFIPXVFZSA-N 448.523 4.312 5 20 IIBD C[C@@H](OC(=O)c1ccccc1Oc1cccnc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 109711287 ZHDGTQOYLNADQS-CYBMUJFWSA-N 425.372 4.105 5 20 IIBD O=C(CCc1ncc(-c2ccccc2Br)o1)NCc1cccc([N+](=O)[O-])c1 195716025 HGCMWYHAJIZJMJ-UHFFFAOYSA-N 430.258 4.261 5 20 IIBD CCS(=O)(=O)C[C@H](C)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 237011331 MMQDWTYSIYDZKG-LBPRGKRZSA-N 430.885 4.092 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N2CCC[C@H]2c2nc3ccccc3s2)c([N+](=O)[O-])c1 255360975 WQULONDSZNLEPK-DYVFJYSZSA-N 426.498 4.377 5 20 IIBD C[C@H]1C[C@H](c2ccc(F)cc2)CN1c1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl 301322760 IJGBQPNNGWYLFF-ZFWWWQNUSA-N 428.851 4.316 5 20 IIBD Cc1cnc(N[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 301465192 WURMBTDIIJDDBX-LJQANCHMSA-N 433.436 4.181 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 303004280 IKWJJWYMVJJAOF-QGZVFWFLSA-N 449.477 4.047 5 20 IIBD CCCc1ccc([C@H](NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C(C)C)cc1 303720357 WATSMNAQGGTSPA-OAQYLSRUSA-N 431.920 4.444 5 20 IIBD COc1ccccc1C[C@@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)O 426631842 ZPBWAXYISOASOU-KRWDZBQOSA-N 426.494 4.365 5 20 IIBD O=C1Nc2cc(Cl)ccc2S[C@@H]1CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 427586844 GISGTNUUZBUAIP-GOSISDBHSA-N 431.901 4.242 5 20 IIBD O=C1Nc2cc(Cl)ccc2S[C@H]1CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 427586845 GISGTNUUZBUAIP-SFHVURJKSA-N 431.901 4.242 5 20 IIBD O=C(Cn1nccc1[N+](=O)[O-])N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 428272467 KKTQRHBXFSHUEA-UHFFFAOYSA-N 437.456 4.287 5 20 IIBD Cc1ccc(C(=O)Nc2cc(O)c(Br)cc2Br)cc1[N+](=O)[O-] 431459109 SOHVVFWPZIHYGM-UHFFFAOYSA-N 430.052 4.386 5 20 IIBD O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)[C@H]1CCCc2sccc21 433707955 OWPNZGZBIMHJKL-AWEZNQCLSA-N 449.535 4.004 5 20 IIBD CCn1nccc1C1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1 434006955 DVZYWLYYZLNLDQ-UHFFFAOYSA-N 425.533 4.067 5 20 IIBD O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 435821021 ZYELJPONTWNWPO-UHFFFAOYSA-N 433.895 4.424 5 20 IIBD O=C1CCC(=O)N1c1ccc(-c2nc(-c3c(Cl)cccc3Cl)no2)cc1[N+](=O)[O-] 436110084 BNBXDWBSWZTPGC-UHFFFAOYSA-N 433.207 4.272 5 20 IIBD C[C@H]1CN(Cc2ccccc2NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@@H](C)O1 437385053 MIOMOHHZNZOBTG-HDICACEKSA-N 438.528 4.401 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N(CCc1ccccc1F)C1CCCC1 437457666 APMHOBCKPSPYCC-UHFFFAOYSA-N 433.867 4.340 5 20 IIBD Cc1nc(CNc2ccc(S(=O)(=O)NC3CCC(C)CC3)cc2[N+](=O)[O-])sc1C 439702181 ZTXIZRYLJIIMKZ-UHFFFAOYSA-N 438.575 4.137 5 20 IIBD C[C@@H](CO[C@@H]1CCOC1)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 440857466 FUSNRMGHOKWVAI-XJKSGUPXSA-N 436.917 4.323 5 20 IIBD COc1cc(OC)cc(OCCCN(C)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 440954702 RSZUNLXUJUAZFO-INIZCTEOSA-N 431.489 4.092 5 20 IIBD CCN(c1ccccc1)c1ccc(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 442365937 SKSVBWRORVMRIV-UHFFFAOYSA-N 448.479 4.016 5 20 IIBD COc1ccc(C(=O)N2CCCC2)cc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 443857755 KBWZVIVKMSKCKZ-UHFFFAOYSA-N 437.374 4.111 5 20 IIBD COc1ccc([C@@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c2ccccc2OC)cc1 443884087 MLUXQAZEKHIZRS-JOCHJYFZSA-N 442.493 4.217 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCC(Oc2ccccn2)CC1 444089064 URPWOXOPOVEKMP-UHFFFAOYSA-N 435.430 4.038 5 20 IIBD C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 444209581 CJXDEKMXKXWZED-MEDUHNTESA-N 431.297 4.052 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CC[C@@]2(C1)OCc1ccccc12 444324753 DOFJLOYZYKIGKU-VWLOTQADSA-N 432.426 4.231 5 20 IIBD Cc1c(NC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cccc1C(=O)Nc1ccccc1 445244092 ZZBHUKUNTWHUOM-UHFFFAOYSA-N 444.451 4.354 5 20 IIBD CN(c1ccccc1)S(=O)(=O)c1cccc(-c2nc(-c3ccc([N+](=O)[O-])s3)no2)c1 445468211 DJWADWUEQCNCHY-UHFFFAOYSA-N 442.478 4.198 5 20 IIBD CN(CC1(N(C)C)CCC1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 445847725 DRKUJGCMBPRRQI-FQEVSTJZSA-N 430.936 4.344 5 20 IIBD CCc1cc(O)nc(-c2cccc(NC(=O)c3sc(Br)cc3[N+](=O)[O-])c2)n1 446109717 VJCJFKFPUHTVEH-UHFFFAOYSA-N 449.286 4.396 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NC[C@@H](c1ccccc1)N1CCOCC1 447673311 XIHPKVFFRYUYKR-HNNXBMFYSA-N 446.376 4.129 5 20 IIBD O=[N+]([O-])c1ccc(CN(c2nnc(-c3ccccc3F)n2C[C@H]2CCOC2)C2CC2)cc1 461428427 QQDIEARTKYKUTC-QGZVFWFLSA-N 437.475 4.198 5 20 IIBD Cc1nc(NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)sc1Cc1ccccc1F 465029608 FRNPYTZSBMACAL-UHFFFAOYSA-N 443.456 4.042 5 20 IIBD COc1cc(C(=O)Nc2ccc3cccc(Br)c3n2)cc([N+](=O)[O-])c1OC 465061395 XQLFZYGMRCXCNH-UHFFFAOYSA-N 432.230 4.175 5 20 IIBD O=C(NCCCc1nc2c(s1)CCCC2)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465854658 KSNQABBDJKNNHJ-UHFFFAOYSA-N 444.557 4.116 5 20 IIBD O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1Cl)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465980298 JUZJIOZPJAZVQD-QFBILLFUSA-N 433.867 4.496 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1C 466501023 YGERBHCWLMAMLJ-UHFFFAOYSA-N 445.431 4.355 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1nc(-c2ccc(SC)cc2)cs1 468930205 IZHXEGABICSFLX-AWEZNQCLSA-N 446.558 4.311 5 20 IIBD CCOc1cc(C(=O)N(C)CCOc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])cc1OC 469518526 FZKSOASOTKTFJP-UHFFFAOYSA-N 442.390 4.172 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(CN(C)Cc2cscn2)c1 470951412 WIZGJWWOUDWETP-UHFFFAOYSA-N 426.498 4.334 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC(c2cccc3ccccc23)CC1 476147210 KSBWCLPKLIYSQY-QGZVFWFLSA-N 431.492 4.273 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1 476379267 QACUQCJEACAWTK-UHFFFAOYSA-N 432.433 4.025 5 20 IIBD CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 476404695 QDQDLSGVASBAFM-UHFFFAOYSA-N 438.509 4.082 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3cnc(-c4ccccc4)s3)CC2)ccc1[N+](=O)[O-] 477392169 KWRZDQDSHOAMKQ-UHFFFAOYSA-N 438.509 4.079 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)s1 478097032 PLQVQWYUTROYFI-UHFFFAOYSA-N 427.530 4.183 5 20 IIBD Cc1nc(CCNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)sc1C 478197212 DNHOCVCAVQFFQV-UHFFFAOYSA-N 440.312 4.133 5 20 IIBD COC(=O)[C@](C)(NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)c(Cl)c1 479264965 GQFHRDJPTJGLEA-GIGQVBGESA-N 443.258 4.349 5 20 IIBD CN(Cc1ccc(Br)cc1Cl)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] 480772928 XRIANMBJXNQLEA-UHFFFAOYSA-N 447.738 4.015 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NS(=O)(=O)c1c([N+](=O)[O-])ccc(C)c1C 481610143 PBNYJSOKRWFMQV-MRXNPFEDSA-N 445.541 4.335 5 20 IIBD CCN(CC)C(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)c1 481948250 UEIYOIXYRVTENR-UHFFFAOYSA-N 431.514 4.068 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2cc(Br)cs2)cc1SC 482815867 YFIJWEZMYWUPCE-UHFFFAOYSA-N 431.333 4.422 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCSC[C@@H]2c2cnn(C)c2)cc1OC 484789589 MARBXVNWWMGNNE-DNVCBOLYSA-N 434.562 4.052 5 20 IIBD CCS[C@H](C)c1noc(CN(C)C(=O)Cn2c3ccccc3c(=O)c3ccccc32)n1 484910859 PQGKQZORHLZZSF-OAHLLOKOSA-N 436.537 4.010 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CSc1nnc(N2CCC[C@@H](C)C2)n1Cc1ccco1 485376451 PFSFMEDVUUHHJA-OAHLLOKOSA-N 443.529 4.365 5 20 IIBD CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 485405866 MUXQWFPLXLVFJL-IRXDYDNUSA-N 445.495 4.301 5 20 IIBD COc1ccc(Cn2ncc(C)c2NC(=O)c2cccc(SC)c2[N+](=O)[O-])cc1OC 486237144 VREITMGSYYAICR-UHFFFAOYSA-N 442.497 4.139 5 20 IIBD O=C(NCc1ccc(-n2cccn2)cc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 486346773 GNDCWPMLHAOQEH-UHFFFAOYSA-N 428.448 4.290 5 20 IIBD O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCN(c2ccc(O)cc2)CC1 486462922 RGOPVRQSBFXUEQ-UHFFFAOYSA-N 435.505 4.414 5 20 IIBD COC(=O)c1cc2cc(NC(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)ccc2o1 488377518 HLKOESYKAINTSM-UHFFFAOYSA-N 437.330 4.468 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc2ccccc2n1C(C)C 489224933 JNIDPWSALWPBAE-UHFFFAOYSA-N 428.514 4.194 5 20 IIBD COc1cc(CN(C)[C@@H](C)c2ccc([S@](C)=O)cc2)c([N+](=O)[O-])cc1OCC(F)F 490428292 CUDLATRDLBGMPQ-FZPQWHJUSA-N 442.484 4.178 5 20 IIBD CNC(=O)c1cc(Oc2cccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c2)ccn1 493905114 GNKUNPYCDRJPHY-UHFFFAOYSA-N 441.831 4.439 5 20 IIBD O=C(Nc1nnc(Cc2cccc(F)c2)s1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 494069279 NVCFTPVJJQIPLR-UHFFFAOYSA-N 427.461 4.373 5 20 IIBD CCCCOc1ccc([C@@H](C)NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1OC 494655022 PDPRUUMCBVDKLL-MRXNPFEDSA-N 445.520 4.087 5 20 IIBD O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1cc([N+](=O)[O-])ccc1SCCO 497647734 NOBBWPVNNOMIJH-UHFFFAOYSA-N 429.429 4.258 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCC[C@@H]3[C@@H]3C[C@H](C)CC[C@H]3O)cc2[N+](=O)[O-])CC1 500349403 QZZNTLDYDVWDMW-RKCFAAOBSA-N 429.561 4.233 5 20 IIBD Cc1c(NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cnn1CC(C)C 501364977 LSFZQYDUUVKURM-UHFFFAOYSA-N 449.511 4.305 5 20 IIBD O=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 502404391 GMFDVRVNAHZGHV-GOSISDBHSA-N 443.475 4.147 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC)c(N2CCCC2=O)c1 504093616 RPHISBMRKUBRPE-UHFFFAOYSA-N 429.498 4.485 5 20 IIBD C[C@H](NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccccc1Oc1ccccc1 506170145 IZHBYHYRGYLWHN-KRWDZBQOSA-N 448.479 4.064 5 20 IIBD COc1cc(CNc2cnn(-c3ccccc3F)c2)c([N+](=O)[O-])cc1OCC(F)(F)F 507865219 RRFLFDGNCKKTEB-UHFFFAOYSA-N 440.353 4.481 5 20 IIBD CC(=O)c1ccc(F)cc1NC(=O)c1cc([N+](=O)[O-])cc(I)c1C 509311554 ASKYYMHZIGFLGC-UHFFFAOYSA-N 442.184 4.102 5 20 IIBD Cc1noc(C)c1CN1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 509399168 KZTLOASVYDARDU-UHFFFAOYSA-N 430.892 4.431 5 20 IIBD CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 509747873 YGXKNHHFMSCZEM-INIZCTEOSA-N 448.545 4.125 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NC[C@H](CO)C2CCCCC2)cc1[N+](=O)[O-])c1ccccn1 509808039 JTUMDTOQZOIUGX-VQIMIIECSA-N 426.517 4.082 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1nc(-c2ccc(F)c(Cl)c2)cs1 511621027 AZBZZBVHYXFLIE-UHFFFAOYSA-N 448.819 4.057 5 20 IIBD COc1ccc(CS(C)(=O)=O)cc1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 512852142 SNLQFYPZPIVJPJ-UHFFFAOYSA-N 432.523 4.489 5 20 IIBD C[C@H](Cc1nc2ccccc2s1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 513848714 MCFDIABVKOXWDQ-SNVBAGLBSA-N 445.444 4.133 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNc1ccc(NC(=O)[C@H]2CCCO2)cc1C(F)(F)F 517967071 BIXWFJGGTFRXAK-GOSISDBHSA-N 439.390 4.352 5 20 IIBD CC(C)CCOC1CCN(c2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])CC1 520747894 LNBAQDITVVGKNQ-UHFFFAOYSA-N 447.557 4.427 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNC[C@H](CO)Cc2ccccc2)cc1 520945803 OQDFADNNYRZDRL-OAQYLSRUSA-N 442.519 4.388 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C(=O)c2sc3ccccc3c2C)CC1 524993514 SEOGQCZNBIYMAQ-UHFFFAOYSA-N 438.509 4.416 5 20 IIBD CCOc1cc(C(=O)NCCc2nc3cc(Cl)ccc3s2)c([N+](=O)[O-])cc1OC 531035075 PYBYXYWUXUXWLZ-UHFFFAOYSA-N 435.889 4.238 5 20 IIBD COc1ccc(CNc2ccc3c(c2)C(=O)N(C)CC3)cc1OCc1ccc([N+](=O)[O-])cc1 532742391 BWKLREYVLHRECS-UHFFFAOYSA-N 447.491 4.423 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CC(=O)Nc3ccc(Br)cc32)cc1[N+](=O)[O-] 535962440 GQVVVEGOHBMTLP-UHFFFAOYSA-N 432.274 4.254 5 20 IIBD COc1cc(CNc2nnc([C@H]3CCCO3)o2)ccc1OCc1ccc([N+](=O)[O-])cc1 537489031 CDXREDGOQYMWPU-GOSISDBHSA-N 426.429 4.029 5 20 IIBD CC(C)(CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1ccc2c(c1)OCCO2 539448530 WHTPJBWXEIHWMH-UHFFFAOYSA-N 433.464 4.136 5 20 IIBD Cc1nc(NC(=O)[C@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] 540655566 DMCNKNQJAVZUJD-DJJJIMSYSA-N 434.855 4.027 5 20 IIBD CC1CCN(C[C@H]2CCCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 541426134 GFMPPLXICMKIEH-MRXNPFEDSA-N 425.982 4.311 5 20 IIBD CC(=O)c1cc(Br)ccc1NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 542346537 WRLVOLIKLBOSPO-UHFFFAOYSA-N 443.257 4.213 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CCN(Cc2cccnc2)CC1 542567555 CMAGEZWRZSVLPT-UHFFFAOYSA-N 440.569 4.230 5 20 IIBD O=C1Nc2ccccc2O[C@@H]1Cc1nc(-c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)no1 545050088 DHLJJULZBJLAAZ-HXUWFJFHSA-N 444.403 4.379 5 20 IIBD O=[N+]([O-])c1ccc(-n2cc(-c3nc(-c4cnc(Oc5ccccc5)cn4)no3)cn2)cc1 545107169 UBOVTJITIKLGGC-UHFFFAOYSA-N 427.380 4.080 5 20 IIBD CCSCc1noc(-c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)n1 545731491 FEMWDWCIVILFOT-UHFFFAOYSA-N 434.499 4.007 5 20 IIBD COc1ccc(Cc2noc(-c3ccc(NC4CC4)c([N+](=O)[O-])c3)n2)cc1OC(F)F 546377074 HFYIPACNBIDRTO-UHFFFAOYSA-N 432.383 4.420 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1OCCc1nc(-c2ccccc2Cn2cccn2)no1 546994135 JXKSSTMFXUJKDN-UHFFFAOYSA-N 425.832 4.165 5 20 IIBD Cc1c(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)nnn1Cc1ccccc1F 549023901 XRYZMDGZQRSONG-UHFFFAOYSA-N 426.452 4.125 5 20 IIBD Cc1ccsc1-c1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C[C@@H]1CCCCO1 549659887 BJIACMQROHJZEH-KRWDZBQOSA-N 427.530 4.429 5 20 IIBD Cn1ccnc1[C@@H](NCc1cc2cc(Br)ccc2[nH]1)c1ccc([N+](=O)[O-])cc1 552282705 JZPLKPLWWXNRJK-IBGZPJMESA-N 440.301 4.451 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CCN(C2CCC2)C1 553862291 RANJNKKAOGQNRN-ZWKOTPCHSA-N 437.544 4.109 5 20 IIBD COc1cc(CN2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)c([N+](=O)[O-])cc1OC(F)F 556084313 VRILAPRWEVDDIP-SCNOPHJPSA-N 428.476 4.356 5 20 IIBD COCC[C@H](NC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 556404262 LDAQYXWDFAGNCV-INIZCTEOSA-N 442.299 4.487 5 20 IIBD CC[C@@H]1CN(C)CCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 557914607 BVPKAZXDJVABEB-MRXNPFEDSA-N 433.892 4.215 5 20 IIBD CC[C@@H](C)n1ncc(NC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c1C 558862925 VOCRMPCGZSQRTJ-PBHICJAKSA-N 431.493 4.275 5 20 IIBD CN(CCc1ccc(Cl)cc1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 559241943 PFRSZTZBDVDAHH-QGZVFWFLSA-N 441.919 4.222 5 20 IIBD Cc1c(NC(=O)CCNC2(Cc3ccc(F)cc3Cl)CCOCC2)cccc1[N+](=O)[O-] 559410965 ZHCQFFDOVZWIMW-UHFFFAOYSA-N 449.910 4.406 5 20 IIBD CCOC(=O)c1c(Cn2cccc([N+](=O)[O-])c2=O)nc2ccccc2c1-c1ccccc1 559981682 NRUUYVRDBGMXEB-UHFFFAOYSA-N 429.432 4.197 5 20 IIBD COC(=O)Cc1sc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 562395260 POGMEXWLDOVGFU-ZDUSSCGKSA-N 425.466 4.176 5 20 IIBD Cc1c(CNC(=O)C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(C)C)cccc1[N+](=O)[O-] 569252367 HMCAWDVMBWYMDD-GOSISDBHSA-N 437.418 4.052 5 20 IIBD COc1cc(Cc2noc(-c3cc(C)nc4ccc(OC)cc34)n2)c([N+](=O)[O-])c(OC)c1 573787299 RMVFYHWFAABNGD-UHFFFAOYSA-N 436.424 4.118 5 20 IIBD CO[C@@H](C)c1nc(Cc2noc(-c3cc([N+](=O)[O-])cc(Br)c3C)n2)cs1 575093503 XZKDOSLUUVSMDU-VIFPVBQESA-N 439.291 4.470 5 20 IIBD CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 580825287 WEEVIHQOYCLDKG-UYAOXDASSA-N 427.526 4.169 5 20 IIBD CC(=O)N1C[C@H]2[C@@H](Nc3ccc(C(=O)Nc4ccc(C)cc4)cc3[N+](=O)[O-])CCC[C@H]2C1 581153043 FNHCGRLLTQRUPH-TYPHKJRUSA-N 436.512 4.214 5 20 IIBD CC(C)NC(=O)c1ccc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 603993382 RVYWLTAULHPKMK-UHFFFAOYSA-N 438.406 4.193 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(CCN3CCCCC3)cc2)cc([N+](=O)[O-])c1 604028333 VFQJDSARMVKKCE-UHFFFAOYSA-N 425.485 4.052 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N(Cc2ccccc2)CC2CCC2)ccc1[N+](=O)[O-] 608805701 AIMKSOYRPSTRHU-QHCPKHFHSA-N 435.524 4.337 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N(CCc1ccccc1)Cc1cccnc1 608880176 YTCQNLSKJQVSDB-UHFFFAOYSA-N 430.508 4.475 5 20 IIBD Cc1ccc(Oc2ccccc2CNC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 609307243 DMJZCKUAJCGRTM-QGZVFWFLSA-N 433.464 4.130 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCc2sccc2[C@H]1c1cccs1 609640019 MIXJGXVFVUIDRY-IBGZPJMESA-N 429.523 4.454 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](Cc1ccc(C)cc1)c1ccccn1 609676174 OVFOOKJQDJACQO-NRFANRHFSA-N 425.510 4.123 5 20 IIBD Cc1cc(Cl)cc2c1N(C(=O)c1nn(-c3ccccc3[N+](=O)[O-])c(C)cc1=O)CCC2 609788529 CKYHEJXBSNGBAC-UHFFFAOYSA-N 438.871 4.004 5 20 IIBD Cc1cccc([C@@H]2CCCCCN2C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 609795992 KJFIXAVZZHGADN-SFHVURJKSA-N 427.526 4.238 5 20 IIBD COc1cc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)ccc1NC(=O)c1cccnc1 609855207 QLYHJOOCNDRXSA-UHFFFAOYSA-N 426.816 4.156 5 20 IIBD C[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Br)CCN1Cc1ccccc1 610046018 PCYZNQRRESVHPT-WBVHZDCISA-N 446.345 4.482 5 20 IIBD CCOC(=O)CCc1ccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 610050049 PFSSQGKEMDXPBR-UHFFFAOYSA-N 425.466 4.466 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1cccc(N2CC=CC2)c1 610116906 UQQBGYYKDIGJCO-UHFFFAOYSA-N 434.418 4.108 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCc3coc(-c4ccccc4)n3)cc2)c(C)c1[N+](=O)[O-] 610183990 IXCAEFKIDUTWOC-UHFFFAOYSA-N 431.452 4.041 5 20 IIBD Cc1noc(C)c1N(C)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 610414242 BWVHTXHTBIIMSI-UHFFFAOYSA-N 426.395 4.098 5 20 IIBD C/C=C\c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2I)c(OC)c1 726319839 DPAZEUGEQZQUGK-ARJAWSKDSA-N 439.205 4.460 5 20 IIBD C[C@H](OC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)C(=O)Nc1cccc([N+](=O)[O-])c1 729783154 JWLWKMMMIUCUIJ-LBPRGKRZSA-N 429.816 4.016 5 20 IIBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1Nc1ccccc1 731054635 IVTLYSNYAWXRPR-UHFFFAOYSA-N 444.425 4.056 5 20 IIBD C[C@@H](OC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 731528754 GCHHOHNYHXNCCX-CYBMUJFWSA-N 444.415 4.350 5 20 IIBD CC(C)(C)OC(=O)N1CCc2c(cccc2NC(=O)NCc2cccc([N+](=O)[O-])c2)C1 734208515 CBIFSZNEECAOFD-UHFFFAOYSA-N 426.473 4.210 5 20 IIBD COC(=O)N(C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 735256126 GGKMQVXUJGBYEC-UHFFFAOYSA-N 426.473 4.036 5 20 IIBD O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCO[C@H](c2ccccc2Br)C1 736073465 FENVKYNSNMRWLN-INIZCTEOSA-N 425.666 4.224 5 20 IIBD O=C1CCSc2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3Br)cc2N1 740582505 ZXXCHLIIKYGWEF-UHFFFAOYSA-N 437.271 4.149 5 20 IIBD COc1ccc(C(=O)OC[C@@H]2CCC(=O)N(C)[C@H]2c2cccc(Cl)c2)cc1[N+](=O)[O-] 740606214 UKQUPBSGSLWRMD-YWZLYKJASA-N 432.860 4.023 5 20 IIBD Cc1cc(C)c(NC(=S)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(Cl)c1 740628698 KAMZKUYCJPZDHG-UHFFFAOYSA-N 432.933 4.020 5 20 IIBD O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 740657192 ZXDUKXHABMVZOF-UHFFFAOYSA-N 438.452 4.109 5 20 IIBD CSc1ccc(O[C@@H](C)C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 740995954 OQMBMLWDTZMZNF-STQMWFEESA-N 429.454 4.438 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F 743758931 DBMLWFQLAFIUPR-RCMYXZNBSA-N 448.319 4.193 5 20 IIBD CCOc1ccc(CC(=O)OC2CCN(c3ccc([N+](=O)[O-])c(OCC)c3)CC2)cc1 744203952 KFXDDOKAQZQSJT-UHFFFAOYSA-N 428.485 4.147 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[C@H]1C[C@@]12CCc1ccccc12 744353841 HNCOBNPRDVJERZ-HYBUGGRVSA-N 432.480 4.286 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCc1cc(Cl)ccc1OC1CCCC1 744378018 ICFZAVYAEDYIOT-UHFFFAOYSA-N 446.843 4.221 5 20 IIBD CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 745073519 ITCZONNNOAVFQK-HNNXBMFYSA-N 442.468 4.008 5 20 IIBD O=C(c1cccc2ccccc12)N1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 745439356 KOUFDVAMFDTOCL-UHFFFAOYSA-N 440.297 4.473 5 20 IIBD O=Cc1c(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)ccc2ccccc12 746604337 GMRFGGAYEDJAPO-UHFFFAOYSA-N 425.340 4.347 5 20 IIBD CN(Cc1c(F)cccc1Cl)C(=O)COC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 747122899 CDXPCDZCWDYJQO-UHFFFAOYSA-N 448.756 4.222 5 20 IIBD O=C1C[C@H](Nc2ccc(OCc3ccccc3F)cc2)C(=O)N1c1cccc([N+](=O)[O-])c1 747458704 RQXQNGNYSXEEMF-NRFANRHFSA-N 435.411 4.057 5 20 IIBD C[C@@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCCC1=CCCCC1 747960703 ADSYWTIWBPTNQX-CQSZACIVSA-N 429.498 4.270 5 20 IIBD CCn1cc(CC(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc21 748420995 OIHQCTGFRATZEP-UHFFFAOYSA-N 449.385 4.313 5 20 IIBD O=C(OCCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@H](c1ccccc1)n1cccn1 750667891 HVHDWWORUYXUJN-SFHVURJKSA-N 435.358 4.022 5 20 IIBD C[C@@H](OC(=O)c1c(F)ccc([N+](=O)[O-])c1F)C(=O)Nc1ccc(N2CCCCC2)cc1 752559221 MPKRZRGZIQHJSK-CYBMUJFWSA-N 433.411 4.047 5 20 IIBD O=C(CCOC1CCOCC1)Nc1cc(Cl)c([N+](=O)[O-])cc1OCc1ccccc1 753185283 PQIJJZFYRCGFNI-UHFFFAOYSA-N 434.876 4.351 5 20 IIBD O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 753628987 FEAASPVJZXJPEG-IZZDOVSWSA-N 430.464 4.034 5 20 IIBD O=C(NC1(c2ccc3c(c2)OCCO3)CCCC1)c1cccc([N+](=O)[O-])c1Br 753816748 AZKFSLGPKDKQLE-UHFFFAOYSA-N 447.285 4.328 5 20 IIBD CN(CC(=O)Nc1cccc(Cl)c1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 755029012 KBGCDRADMAXLQQ-UHFFFAOYSA-N 441.669 4.113 5 20 IIBD CC[C@H](NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCO1 756105604 SFSINTKTKKYYPL-HKUYNNGSSA-N 431.876 4.188 5 20 IIBD CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)O[C@H](C)C2 756993749 YJDJQSZOESPXTI-PUECVXPYSA-N 430.888 4.390 5 20 IIBD COc1ccc2c(c1)CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H](c1ccccc1)C2 759470030 PLOJDJBVBQOIBW-QFIPXVFZSA-N 433.420 4.451 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@@H](c2nc(Cc3ccc(Br)s3)no2)C1 761639478 TXMLCVXANNOOGM-CYBMUJFWSA-N 435.259 4.258 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1 763434034 IDTNLMLGJSUEIU-UHFFFAOYSA-N 431.489 4.011 5 20 IIBD C[C@H](OC(=O)COc1ccccc1Br)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 763862824 WCGSYMLWHOKGFX-NSHDSACASA-N 448.229 4.091 5 20 IIBD Cc1nn(CN2CCO[C@@H](c3ccc(Br)cc3)C2)c2ccc([N+](=O)[O-])cc12 764915165 LKEVKGWYINIBTG-LJQANCHMSA-N 431.290 4.046 5 20 IIBD Cc1ccc(C(=O)NC2CCN(Cc3ccc(Br)c([N+](=O)[O-])c3)CC2)s1 769193388 YVTDYRURQBBXRA-UHFFFAOYSA-N 438.347 4.122 5 20 IIBD Cc1noc2nc(C3CC3)cc(C(=O)OCc3ccc(Br)c([N+](=O)[O-])c3)c12 773383067 SXSQUJBZRBFMHH-UHFFFAOYSA-N 432.230 4.436 5 20 IIBD Cc1c(C(=O)Nc2ccnc(OCC(F)(F)C(F)F)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 776219559 PHJOBINKDZIQQA-UHFFFAOYSA-N 446.313 4.046 5 20 IIBD CCCCn1c(SC[C@H](O)c2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(OC)cc1 776271701 NMVHYCQXZLAGSV-IBGZPJMESA-N 428.514 4.488 5 20 IIBD C[C@@H](CC(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)C(=O)c1ccc(Cl)cc1 777316116 MWIMYNBKKWKNPS-HNNXBMFYSA-N 445.903 4.312 5 20 IIBD O=C(Nc1ccccc1)C1=C(c2ccccc2)NC(=S)N[C@H]1c1ccc([N+](=O)[O-])cc1F 777943373 HIZXBXSABIVVCH-NRFANRHFSA-N 448.479 4.303 5 20 IIBD NC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 779338343 SNKNVAJLPWAIAB-UHFFFAOYSA-N 433.392 4.276 5 20 IIBD COc1cc(COC(=O)c2ccc3nc(C)c(C)nc3c2)c([N+](=O)[O-])cc1OCC(F)F 780061842 JBKVOOJFLPYVOJ-UHFFFAOYSA-N 447.394 4.164 5 20 IIBD Cc1cc(COC(=O)[C@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)ccc1[N+](=O)[O-] 781171785 FUMMQYDYTNPDEX-INIZCTEOSA-N 448.422 4.100 5 20 IIBD O=C(CCN1CC[C@]2(CCCN(Cc3ccccc3)C2)C1)Nc1cc([N+](=O)[O-])ccc1F 782507597 IWWOVQLBMIAAIV-XMMPIXPASA-N 440.519 4.051 5 20 IIBD CS(=O)(=O)CCSc1cc(Br)ccc1/C=C/c1ccc([N+](=O)[O-])cn1 783710219 CNDDOWRKVFFWQH-HWKANZROSA-N 443.344 4.059 5 20 IIBD O=[N+]([O-])c1cn(CN2CCC(c3ccccc3Br)CC2)nc1-c1ccncc1 783984626 PSFOUZZCXNUMNG-UHFFFAOYSA-N 442.317 4.453 5 20 IIBD Cc1ccc([C@@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2Br)C2CC2)cc1 784621384 CGVUWPJWUOGTOW-GOSISDBHSA-N 446.301 4.180 5 20 IIBD Cc1ccc(F)c(C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1Br 785113580 HQWXHWSLFDOESG-UHFFFAOYSA-N 436.193 4.212 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc2ccccc2n1CC(F)(F)F 787193485 WDHAUDXNYVIXHF-UHFFFAOYSA-N 435.358 4.216 5 20 IIBD CCOC(=O)C1([C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CCN(C(=O)OC(C)(C)C)CC1 788639423 BUWBYOCSXHRYTF-DLBZAZTESA-N 449.548 4.214 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(C)c1F)NC(=O)OC(C)(C)C 790292669 QFJLBJWEUSXKFI-QGZVFWFLSA-N 447.463 4.047 5 20 IIBD CN(CC(=O)N1CCCCC[C@@H]1c1ccncc1)c1cc(Br)ccc1[N+](=O)[O-] 795245228 ZPVVQYSKKWQYSJ-QGZVFWFLSA-N 447.333 4.332 5 20 IIBD COc1cc(OCC(=O)Oc2cc(F)c(Cl)cc2Br)ccc1[N+](=O)[O-] 797325735 SJRTXUMSAJHKKJ-UHFFFAOYSA-N 434.601 4.143 5 20 IIBD C[C@H](OC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])c1ccc(Cl)cn1 802790261 YZBUZEFEUPDASD-JTQLQIEISA-N 428.670 4.146 5 20 IIBD COc1ccc(-c2nc(C(=O)OCc3c(F)cc([N+](=O)[O-])cc3F)cs2)cc1OC 803243280 NCVCBITUADUPAS-UHFFFAOYSA-N 436.392 4.371 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1(c2cc(F)cc(Br)c2)CC1 803789939 JPILIXOFCDIYMH-UHFFFAOYSA-N 439.193 4.180 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1Cl 809914101 GRGSUTZFPHFHGR-MRXNPFEDSA-N 432.864 4.200 5 20 IIBD C[C@H](N[C@@H]1c2ccccc2CC12CCOCC2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 810080197 XMHIFWWHMWMVOM-VBKZILBWSA-N 429.904 4.259 5 20 IIBD CSc1ccc(C(=O)OC[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)cc1[N+](=O)[O-] 813156944 GDHWTODAVAEDKX-CYBMUJFWSA-N 446.472 4.366 5 20 IIBD COc1cc(C(=N)NOCc2ccc(Br)c([N+](=O)[O-])c2)cc(Cl)c1OC 814265589 UZTOHIIZVKNKHG-UHFFFAOYSA-N 444.669 4.075 5 20 IIBD COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)c1 815237978 SONXUPLPTFOUDI-ZBFHGGJFSA-N 425.359 4.478 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)C1(Cc2ccc(F)cc2)CCOCC1 816030868 FHESIROPIQELSE-LJQANCHMSA-N 446.450 4.034 5 20 IIBD CSc1ccc(C(=O)O[C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] 816401168 PABKDWLKXUTYOI-ACJLOTCBSA-N 432.473 4.365 5 20 IIBD CCc1cccc(CC)c1NC(=O)[C@@H](C)OC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 915512568 WQBIPFRKVUPZLW-OAHLLOKOSA-N 436.468 4.089 5 20 IIBD O=C(CCCNC(=O)OCc1ccccc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 917547336 QLWPVIAGBKMELO-UHFFFAOYSA-N 440.481 4.363 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c2c(C(C)C)noc2n1 920896300 MWLNFQUCCOFLHU-ZDUSSCGKSA-N 426.429 4.055 5 20 IIBD COc1ccc(NC(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])c1 1123372253 KBDVFRWKHCXBOZ-ORAYPTAESA-N 436.871 4.210 5 20 IIBD CCOc1ccc2c(c1)CN(S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])CC2 1319108050 HBCVGHJXXONCCG-UHFFFAOYSA-N 431.297 4.047 5 20 IIBD CC(C)(C)OC(=O)NCc1ccccc1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 1321336010 ZTUWTZPCPIRXFV-UHFFFAOYSA-N 426.473 4.116 5 20 IIBD O=C(c1cccs1)C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 1322457917 SZEDICZCSYLREJ-UHFFFAOYSA-N 441.278 4.293 5 20 IIBD O=C(Nc1cc(Br)ccc1-n1cccn1)N1Cc2ccc([N+](=O)[O-])cc2C1 1323432896 NVVIUMKFEPHFTC-UHFFFAOYSA-N 428.246 4.091 5 20 IIBD COc1ccc2c(c1)c(C(=O)N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)c(C)n2C1CC1 1323442221 LITPXNHWLLQYSN-UHFFFAOYSA-N 434.496 4.164 5 20 IIBD O=C1CC[C@@]2(c3ccc(F)cc3)SC[C@@H](c3nnc(-c4cccc([N+](=O)[O-])c4)o3)N12 1325763438 UYRSXUOIHYUNMR-JXFKEZNVSA-N 426.429 4.047 5 20 IIBD CCn1c(SCC(=O)c2cnn(-c3ccccc3)c2C)nnc1-c1ccc([N+](=O)[O-])cc1 1345380564 MAWMPCPOSYAINC-UHFFFAOYSA-N 448.508 4.342 5 20 IIBD Cc1cccc(/C=C/C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])o4)CCC3)cc2)n1 1785823792 FGBCASWYWBQJBF-ZRDIBKRKSA-N 446.463 4.352 5 20 IIBD O=C(Cn1ccc2ccc([N+](=O)[O-])cc21)Nc1ccc(C2(NC(=O)C3CCC3)CCC2)cc1 1786277823 WLJJTMAKEMCMSF-UHFFFAOYSA-N 446.507 4.484 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)NC1(c2ccc(NC(=O)c3cccnc3)cc2)CCC1 1787304656 JDNBGGCEGVQSHF-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD COc1ccc(CC(=O)NC2(c3ccc(NC(=O)C(C)(C)F)cc3)CCC2)c([N+](=O)[O-])c1 1787941752 ZOEUAQPHGJMZOI-UHFFFAOYSA-N 443.475 4.028 5 20 IIBD O=C(Cc1ccccc1F)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1 1790184552 VGHQTOPMSIEABC-UHFFFAOYSA-N 436.443 4.052 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@H]3C[C@@]3(F)Cl)cc2)CCC1)c1cc(F)cc([N+](=O)[O-])c1 1791677519 LVHAWAOAFWMRSV-UTKZUKDTSA-N 449.841 4.406 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(C2(NC(=O)[C@@H]3CC3(F)F)CCC2)cc1 1792317655 BCMFSHKBTZSLFD-QKIXSCASSA-N 441.434 4.397 5 20 IIBD CC[C@H](C)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCc1cc(C)c(F)cc1[N+](=O)[O-] 1793402161 NFHBCWXBRXYDEJ-QLIIJSOBSA-N 447.551 4.439 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cccc(F)c2s1)c1ccc([N+](=O)[O-])o1 1797444992 BXGLSKRUSAEGFX-BTTYYORXSA-N 443.456 4.107 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cc2ccccc2o1 1800522754 FLFFVVVZEWRRDO-BCDXTJNWSA-N 437.427 4.046 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1C1CC1)C2 1800803874 JZGGVMAOSJYSQV-BCDXTJNWSA-N 449.507 4.052 5 20 IIBD C[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C2)c1ccccc1 1801756143 RYGUWSYIYNHESZ-JGJBVQGFSA-N 447.535 4.440 5 20 IIBD CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCc2cc(C)c(F)cc2[N+](=O)[O-])[nH]n1 1816771629 OCRULGKABRUVMO-SFHVURJKSA-N 445.495 4.190 5 20 IIBD CCC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(F)cc([N+](=O)[O-])c3)[nH]n2)CCC1 1818951048 YSRFRLUSICUVSZ-GOSISDBHSA-N 443.479 4.343 5 20 IIBD C[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1)c1cccs1 1829835982 ODZXYEGJTGIAHF-QAPCUYQASA-N 444.557 4.021 5 20 IIBD Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CC(C)C)CC2)cc1[N+](=O)[O-] 1830363412 ZLHZVPVRTXRWQA-OAQYLSRUSA-N 429.561 4.112 5 20 IIBD CCCOc1c(Cl)cc(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 12251753 WPGHFBAPCLGVGK-LBPRGKRZSA-N 436.848 4.230 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)CCc1ncc(-c2ccccc2Cl)o1 12252800 URCMHAIKPFXUSW-UHFFFAOYSA-N 443.843 4.326 5 20 IIBD C[C@@H](OC(=O)COc1ccc(Br)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 17538801 LXCDLWGXZMTYIE-LLVKDONJSA-N 448.229 4.091 5 20 IIBD CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(NC)c([N+](=O)[O-])c1 18004278 NXEQZFJTCZVZLX-UHFFFAOYSA-N 439.299 4.434 5 20 IIBD C[C@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)c1cccs1 24768787 AWYRGOGWSYABNC-HNNXBMFYSA-N 439.493 4.303 5 20 IIBD Nn1c(COc2c(Cl)cccc2Cl)nnc1SCc1cccc([N+](=O)[O-])c1 25822919 LCLWLYRRJFHDTC-UHFFFAOYSA-N 426.285 4.078 5 20 IIBD C[C@H]1c2cccn2CCN1C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 30264662 SUFAXPCNCJWFFC-AWEZNQCLSA-N 436.434 4.235 5 20 IIBD CCOc1cc2c(cc1OCC)CN(C(=O)CCOc1cc(C)ccc1[N+](=O)[O-])CC2 31582755 GJDMDEIAZPLMMT-UHFFFAOYSA-N 428.485 4.054 5 20 IIBD O=C(Nc1ccc2nc[nH]c(=O)c2c1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 58285605 UPBBVEVWPVJMEA-UHFFFAOYSA-N 449.854 4.349 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccc(OCc2ccccn2)cc1 64421235 JRMRHFTXIZONRP-HNNXBMFYSA-N 441.871 4.306 5 20 IIBD Cn1ccnc1[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(F)c1 64898120 XCCXAUPDEOBWOZ-SFHVURJKSA-N 437.456 4.110 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(ccn3CC(C)C)c2)cc1OC 109207324 PIKRUFKSOQBAEO-UHFFFAOYSA-N 441.484 4.492 5 20 IIBD C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 217376001 AACTVHVRMVVQLN-JTQLQIEISA-N 427.244 4.269 5 20 IIBD O=C1COc2ccccc2N1CCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 237817722 YAFZQYUCLLMUNW-UHFFFAOYSA-N 441.871 4.414 5 20 IIBD COc1ccc([C@@H](Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c2ccc(F)cc2)cc1 301931936 MGABSDVKQNLCNT-SFHVURJKSA-N 436.486 4.409 5 20 IIBD CCc1cccc2c(C3CCN(c4ccc([N+](=O)[O-])cc4S(C)(=O)=O)CC3)c[nH]c12 302655046 NXMUSFREBNTMOL-UHFFFAOYSA-N 427.526 4.426 5 20 IIBD Cc1cc(NC(=O)CCc2ccccc2Br)n(-c2ccc([N+](=O)[O-])cc2)n1 302931934 DJNVAFFPNUTMFH-UHFFFAOYSA-N 429.274 4.423 5 20 IIBD CCCc1[nH]nc(C(=O)N(C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)c1[N+](=O)[O-] 303354249 HVVHMXPZNRHMDX-UHFFFAOYSA-N 428.411 4.101 5 20 IIBD CCCn1nccc1C1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 410279844 RWBNSDVBGZTLPJ-UHFFFAOYSA-N 425.514 4.345 5 20 IIBD Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)NCCn1cc([N+](=O)[O-])cn1 426074552 DRMXBWBRBPENIS-UHFFFAOYSA-N 429.864 4.154 5 20 IIBD Cc1cnc(OCC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)c([N+](=O)[O-])c1 426582168 YGQDXRUWYXEZBE-UHFFFAOYSA-N 434.168 4.097 5 20 IIBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cc(Br)c(F)cc1F 428309147 JTKYIZSQASPUCY-UHFFFAOYSA-N 429.173 4.049 5 20 IIBD C[C@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H](c2cccc(C(F)(F)F)c2)O1 428934191 WCAVGAFSFIYNPK-IFXJQAMLSA-N 437.418 4.038 5 20 IIBD COC(=O)c1cc(NC(=O)c2cccc(SC)c2[N+](=O)[O-])cc(Br)c1F 432350715 DZMQLGUDWFPYLC-UHFFFAOYSA-N 443.250 4.257 5 20 IIBD CC(C)c1[nH]nc(C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)c1[N+](=O)[O-] 433837625 FZXFMUKXBPWDNM-UHFFFAOYSA-N 444.495 4.283 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCCN(Cc2ccc(F)cc2)CC1 435936301 MBHNLHBDLFMMQX-UHFFFAOYSA-N 447.485 4.308 5 20 IIBD CC(C)n1c([C@H]2CCCN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])C2)nc2ccccc21 437302362 IQAPYFCXWQILDK-HNNXBMFYSA-N 446.504 4.233 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccc(Br)cc1 438808689 JXNVFDNYTPWFLC-UHFFFAOYSA-N 426.075 4.465 5 20 IIBD Cc1c(NC(=O)N[C@H](CO)c2cccc(Cl)c2F)cc(Br)cc1[N+](=O)[O-] 439409800 NINWJEGPMCJFTK-CYBMUJFWSA-N 446.660 4.313 5 20 IIBD Cn1cccc1CN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 439579675 HUWZSOJTLJBFIU-IBGZPJMESA-N 443.301 4.165 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC=C(c2ccc3c(c2)OCCO3)CC1 439906993 XBCWDMGLLITIKE-UHFFFAOYSA-N 425.441 4.086 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)c1cccc(Cl)c1Cl 440044302 LLCFPSZSVBOVKB-SNVBAGLBSA-N 426.256 4.116 5 20 IIBD COC(=O)c1cc(-c2nc(C3(c4cccc(Br)c4)CC3)no2)cc([N+](=O)[O-])c1 442686942 MEAZPRBMOBIBHV-UHFFFAOYSA-N 444.241 4.274 5 20 IIBD CC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 443908544 ULIXDYMNMAKKKD-UHFFFAOYSA-N 427.354 4.242 5 20 IIBD C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)Oc1ccccc1F 444094725 KPJKXJTUBLAURW-LBPRGKRZSA-N 426.394 4.296 5 20 IIBD Cc1cc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)nn1-c1ccccc1 444300011 XNBBHEWOJMOAOO-UHFFFAOYSA-N 430.414 4.706 5 20 IIBD Cc1nccc(-c2cccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Br)c2)n1 445514360 PGIDAOMIRLKQST-UHFFFAOYSA-N 427.258 4.304 5 20 IIBD COc1cc(/C=C/c2nc(-c3c([N+](=O)[O-])ncn3C)no2)cc(Cl)c1OCC(C)C 445570953 KCYIYVFRYJKKIC-AATRIKPKSA-N 433.852 4.246 5 20 IIBD CC(=O)N(CCc1ccccc1)CC(=O)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] 446427357 DEUWFXRXVVENGO-UHFFFAOYSA-N 447.491 4.204 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(Cc1ccccc1OC)C[C@H]1CCCO1 460298717 VVZCBIQSMPAPSQ-HXUWFJFHSA-N 437.500 4.067 5 20 IIBD CCCC[C@H](C)N(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 461426398 YGFKUGDNOFSKKO-INIZCTEOSA-N 433.530 4.355 5 20 IIBD COc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)c2ccccc2Cl)c(OC)c1 464550935 QLUWKPJSHPFXFZ-FQEVSTJZSA-N 429.860 4.123 5 20 IIBD C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464770612 CFHLAEUDWQQFFV-CQSZACIVSA-N 435.427 4.067 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCOc2ccc(Br)cc21 468206103 UGIJDLWTQUKSGS-UHFFFAOYSA-N 442.063 4.159 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCCC[C@H]1/C=C\c1ccccc1 469363914 QGUWBRFAXLWDGA-JYBLJSLWSA-N 444.509 4.028 5 20 IIBD Cc1cn([C@H](C)c2ccccc2)nc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 471581229 NDJCNURHZMCAHG-CQSZACIVSA-N 434.905 4.472 5 20 IIBD COC(=O)COc1ccc(CNc2ccc(N3CCCC[C@H]3C)cc2C)cc1[N+](=O)[O-] 473981634 DJMGXOCENCGBPI-QGZVFWFLSA-N 427.501 4.446 5 20 IIBD C[C@@H](NC(=O)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1)c1ccccc1[N+](=O)[O-] 474652454 YQLCFYVBKNCGLW-BUKPSGGLSA-N 447.495 4.469 5 20 IIBD COc1ccccc1C[C@@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C(C)C 478383655 AEQLJDOFRSRUFN-JOCHJYFZSA-N 441.528 4.424 5 20 IIBD Cc1c(CNC(=O)N[C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)cccc1[N+](=O)[O-] 479749797 QUIPTOJSMAXTJR-HTAPYJJXSA-N 427.501 4.028 5 20 IIBD CCn1c(S[C@H]2CCN(c3cccc(Cl)c3)C2=O)nnc1-c1ccc([N+](=O)[O-])cc1 481338525 CCBDKGGBZBEYSD-KRWDZBQOSA-N 443.916 4.424 5 20 IIBD CC(C)S(=O)(=O)Cc1cccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 484166459 KEUARLAZPYCDFJ-UHFFFAOYSA-N 431.514 4.115 5 20 IIBD CN(Cc1ccccc1Br)C(=O)CNc1cc([N+](=O)[O-])ccc1OC(F)F 486426520 FPBQCYZICRDZKG-UHFFFAOYSA-N 444.232 4.029 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1cccc(SC)c1[N+](=O)[O-])c1ccc(Cl)c(F)c1 486437390 VDCTWNZMCNPWSE-CQSZACIVSA-N 426.853 4.143 5 20 IIBD O=C(Nc1cccc(C[S@@](=O)C2CCCCC2)c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 487208864 JVHPEJCLRHWXHN-SSEXGKCCSA-N 430.482 4.157 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CS(=O)(=O)Cc1cc(F)c(C(F)(F)F)cc1F 488979623 VJLKEEQYVGKRGH-UHFFFAOYSA-N 425.331 4.015 5 20 IIBD Cc1ccc(OCc2nnc(S[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)o2)cc1 489128915 MEZQFRXSDAVVLH-AWEZNQCLSA-N 428.470 4.293 5 20 IIBD CS(=O)(=O)c1cccc([C@H](NCc2ccccc2[N+](=O)[O-])c2ccc(F)c(F)c2)c1 493231984 RXNXHQANMPTKBH-NRFANRHFSA-N 432.448 4.156 5 20 IIBD CC[C@@H](NCc1c(Cl)cccc1[N+](=O)[O-])c1ccccc1OCC(=O)N1CCCC1 494815360 GWOLGKIZINFJLG-LJQANCHMSA-N 431.920 4.490 5 20 IIBD Cc1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cccc1C(=O)N1CCCC1 499537476 FATQPDQKDJALHZ-CQSZACIVSA-N 431.876 4.199 5 20 IIBD Cn1c([C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c2ccccc2)nc2ccccc21 500030537 CKEACUZGODWTCC-JOCHJYFZSA-N 425.448 4.482 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](c2cccc(F)c2)c2ccccn2)cc1OC 500125130 YOXGJWXKFMFXLT-OAQYLSRUSA-N 425.416 4.056 5 20 IIBD O=[N+]([O-])c1ccc2nc(NS(=O)(=O)c3ccc(Cl)cc3Br)ccc2c1 500476557 UTVLOXSSGHBJQU-UHFFFAOYSA-N 442.678 4.360 5 20 IIBD O=C(NCC(=O)N1CC=C(c2cccc3ccccc23)C1)c1c(Cl)cccc1[N+](=O)[O-] 501574155 YFSOTIXYNOUHRP-UHFFFAOYSA-N 435.867 4.057 5 20 IIBD O=C(NCc1cc(Cl)c2c(c1)OCCO2)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 502226581 NPRGXYDIPQWXNB-UHFFFAOYSA-N 431.857 4.073 5 20 IIBD CN(CCCN1CCCC1)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 508416577 GFDGBXDZZMSWFZ-UHFFFAOYSA-N 430.936 4.418 5 20 IIBD NC(=O)C(=O)Nc1cccc(NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)c1 509412713 CWXKUNIHYXHVDE-UHFFFAOYSA-N 440.843 4.076 5 20 IIBD O=C(Nc1ccc(O)cc1F)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 509560586 WHCPASQYALFWMT-UHFFFAOYSA-N 427.354 4.313 5 20 IIBD Cc1c(Br)cc(C(=O)N(C)[C@H](C)c2ccc([S@](C)=O)cc2)cc1[N+](=O)[O-] 510498097 XYVHPUWLSCWQGI-RYZVSIALSA-N 439.331 4.236 5 20 IIBD C[C@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 516025088 CBOSALRWXJRMOE-SNVBAGLBSA-N 427.791 4.008 5 20 IIBD C[C@@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(F)c2ccccc12 516108905 RSAHTJJHTFVRNN-GFCCVEGCSA-N 429.835 4.148 5 20 IIBD COc1cc(CNCCc2ccc([N+](=O)[O-])cc2)cc(Br)c1OC(F)F 518778204 FTDUCDAUGGGVCB-UHFFFAOYSA-N 431.233 4.300 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 520768996 VGLFDZVZTWMWLD-UHFFFAOYSA-N 431.514 4.021 5 20 IIBD C[C@H](NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1nc(C(C)(C)C)cs1 521297234 DBXMWFHYVUECDY-VIFPVBQESA-N 448.364 4.151 5 20 IIBD O=C(Nc1nc(Sc2ccccc2)ns1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 521360822 GPIZWWIZXSLZHE-UHFFFAOYSA-N 441.538 4.453 5 20 IIBD CCC(CC)(CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)N[C@@H](C)c1ccccc1 522064741 OUROBPTXSNNKFN-INIZCTEOSA-N 427.501 4.005 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2cccc(COCC3CC3)c2)ccc1[N+](=O)[O-] 522535771 GQAVNFKJMPBNAQ-QFIPXVFZSA-N 437.496 4.073 5 20 IIBD CCc1ccc([C@@H](NC(=O)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)c2cccs2)cc1 524029925 HYHCEXORCIGZOH-JOCHJYFZSA-N 447.520 4.383 5 20 IIBD O=C(C[C@H]1CCCCCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccco1 532460328 TVSKNGOAYFFZAM-LJQANCHMSA-N 439.512 4.448 5 20 IIBD COc1cc(Br)c(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1OC 533920175 WUNRRPRQWUVZGD-UHFFFAOYSA-N 434.246 4.037 5 20 IIBD Cc1ccc(Br)c(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 534897192 JSVCVPLCSKRUAO-SFHVURJKSA-N 446.301 4.217 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1c[nH]c2cccc([N+](=O)[O-])c12 534989755 MSMMWIUYRIOKOB-UHFFFAOYSA-N 436.449 4.129 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1nnc(SCc2ccccc2)s1 536129303 YSFQVNJQONPCJS-UHFFFAOYSA-N 425.495 4.401 5 20 IIBD COc1ccc([C@H](C)NCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Br 540371123 YDHQVPFUDBQWHZ-ZDUSSCGKSA-N 436.306 4.354 5 20 IIBD C[C@H]1CN(CCCCNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C[C@H](C)O1 541670823 YYVHKRCSBQLCSU-ROUUACIJSA-N 449.617 4.496 5 20 IIBD O=c1c(Cl)c(N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cnn1-c1ccc([N+](=O)[O-])cc1 542555561 UMSRYRGDXCFIIH-HNAYVOBHSA-N 444.850 4.265 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1CCN2S(C)(=O)=O 542586394 DIIUUDBIUMWHEK-UHFFFAOYSA-N 449.554 4.061 5 20 IIBD O=C(N=c1cc[nH]cc1[N+](=O)[O-])N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 543767642 QOBWHLPZRZVDPI-UHFFFAOYSA-N 431.374 4.060 5 20 IIBD Cn1cc([N+](=O)[O-])cc1-c1nc(-c2ccccc2-c2ccc(CN3CCOCC3)cc2)no1 544589434 XTSNMOUOKLNNCW-UHFFFAOYSA-N 445.479 4.150 5 20 IIBD Cc1cc(Cc2noc(COc3cccc(NC(=O)c4ccco4)c3)n2)ccc1[N+](=O)[O-] 545854938 XACRXODEJZRLAU-UHFFFAOYSA-N 434.408 4.301 5 20 IIBD CCN(C[C@@H]1CCCN1CC)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 548454920 YOLICVXHZOZHEQ-HKUYNNGSSA-N 425.533 4.109 5 20 IIBD CCOc1ccc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1CO 556631014 SGTPPJOBKHVXMV-HZPDHXFCSA-N 427.501 4.220 5 20 IIBD COc1ccccc1-c1nc(C2CCN(c3ncnc4sc([N+](=O)[O-])cc34)CC2)no1 557683871 HSUJUPDLYACGJD-UHFFFAOYSA-N 438.469 4.042 5 20 IIBD CCOc1cc(Br)c(F)cc1NC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 558515320 JEVCMTMYHWVLHL-UHFFFAOYSA-N 442.241 4.225 5 20 IIBD NC(=O)c1cccc(N2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)c1[N+](=O)[O-] 561194006 VFZOVXZYRPECIY-UHFFFAOYSA-N 449.442 4.040 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 562200322 PLGOKJAQFZAPSN-OAQYLSRUSA-N 430.936 4.269 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CC(C2CCCCC2)C1 564002230 FYJGFTHEPNMAQJ-UHFFFAOYSA-N 428.270 4.160 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)NCc1ccccc1Oc1cccc(F)c1 567834710 FKXIZKSQUKNGKB-UHFFFAOYSA-N 435.415 4.402 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cnn(-c3ccc(F)cc3)c2C(F)(F)F)c([N+](=O)[O-])c1 569657123 ZTFALADATDPOPL-UHFFFAOYSA-N 444.366 4.048 5 20 IIBD O=[N+]([O-])c1ccc(/C=C/c2nc(-c3cc(C(F)(F)F)ccc3-n3cncn3)no2)cc1 572569872 YXBOYNYCRJMNHI-FPYGCLRLSA-N 428.330 4.415 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1C[C@H]2CCCCN2c2ccccc21 574428651 BQARNCKMNRAWGF-MRXNPFEDSA-N 430.302 4.306 5 20 IIBD O=C1CCC(=O)N1c1ccc(-c2nc(CCCc3ccccc3Cl)no2)cc1[N+](=O)[O-] 578577614 CFXMGOIIZBIQQY-UHFFFAOYSA-N 440.843 4.127 5 20 IIBD COc1cc(Cc2noc(-c3cnn(-c4ccc(C)cc4)c3C)n2)c([N+](=O)[O-])c(OC)c1 578591352 LYXCSTWOTFOTHN-UHFFFAOYSA-N 435.440 4.055 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N[C@@H](c3nncn3C)C(C)C)cc2[N+](=O)[O-])cc1 581327343 WVKUFEOIQVEHPL-LJQANCHMSA-N 425.514 4.310 5 20 IIBD CC(C)c1[nH]nc(C(=O)N2CCc3nc(-c4ccccc4Cl)sc3C2)c1[N+](=O)[O-] 583892931 BMCVNTUVKCDCIO-UHFFFAOYSA-N 431.905 4.417 5 20 IIBD COC(=O)C[C@H](C)NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 601917383 SSGRAZFQZFAILP-NSHDSACASA-N 442.415 4.446 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 603981326 YXMOBRGMWPUWMP-UHFFFAOYSA-N 436.383 4.121 5 20 IIBD CN(Cc1ccccc1CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1CCCCC1 604193458 YGYAGYYCGODJQT-UHFFFAOYSA-N 447.539 4.475 5 20 IIBD CCOc1ccc(Oc2cc(CNCc3cc4c(cc3[N+](=O)[O-])OCCO4)ccn2)cc1 604532764 DUVRFRHWESHAFI-UHFFFAOYSA-N 437.452 4.242 5 20 IIBD O=[N+]([O-])c1ccc(NCCc2ccc(I)s2)c2ccncc12 608885704 VGNWMQBXDQODHD-UHFFFAOYSA-N 425.251 4.464 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(-c3nc(CC(=O)NC4CCCCC4)no3)cc2[N+](=O)[O-])C1 609473713 UIUNNROHLGRVBD-HZPDHXFCSA-N 441.532 4.119 5 20 IIBD O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1I 609511239 LZTSKHBMRSPJML-RHSMWYFYSA-N 436.249 4.266 5 20 IIBD CN(C)C(=O)COc1ccc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1Cl 609652191 AFFPUPYZCKXDQF-UHFFFAOYSA-N 433.892 4.265 5 20 IIBD O=C(Cc1csc(-c2cnccn2)n1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609755073 BTPIDWPCOKKWLY-UHFFFAOYSA-N 433.449 4.482 5 20 IIBD CC(C)COc1ccc(C(C)(C)NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 609762560 ZSVDGHWXSYFJSI-UHFFFAOYSA-N 447.919 4.064 5 20 IIBD CC(C)CNC(=O)c1cccc(CSCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c1 609769150 CFXOPKZCZZZPMA-UHFFFAOYSA-N 443.525 4.212 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NCc2ccc([N+](=O)[O-])cc2)c1 610002646 DCNBUGAOKVOKLC-UHFFFAOYSA-N 441.509 4.431 5 20 IIBD O=C(Nc1nccs1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 610039019 GYALYEWMFYHQPY-UHFFFAOYSA-N 447.270 4.318 5 20 IIBD CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1)CC2 610159817 MMGWSFYRPYBWIC-WOJBJXKFSA-N 436.574 4.125 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CCC[C@@H](c2nnc3n2CCC3)C1 611204283 CKJYSJKBQSLUIS-OAHLLOKOSA-N 441.557 4.187 5 20 IIBD COc1cc(CCc2cc(NC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)n[nH]2)cc(OC)c1 611281183 UXJMNCTWNFWXDV-UHFFFAOYSA-N 438.484 4.298 5 20 IIBD C[C@@H](C(=O)Nc1nc2c(s1)CCN(Cc1ccccc1)C2)c1ccc([N+](=O)[O-])cc1F 612458885 XBDWREIWLOBQCF-CQSZACIVSA-N 440.500 4.491 5 20 IIBD COc1ccccc1/C(C)=C/C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 727577204 DZRBOEBWSCRUCF-FMIVXFBMSA-N 438.358 4.207 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 727985270 DCXHCXSRPAJCDW-GOSISDBHSA-N 431.489 4.185 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N1CCC[C@H](n2ccnc2)C1 729266508 IIXGCCOQSCTGNO-GHTZIAJQSA-N 439.903 4.462 5 20 IIBD CC(C)(C)OC(=O)NCc1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 730270724 JUZYRFOOFWSPCN-UHFFFAOYSA-N 442.877 4.041 5 20 IIBD CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)OCCOc1cccc([N+](=O)[O-])c1)O[C@@H](C)C2 730658729 YXIGKTHSYCYNRE-DCPHZVHLSA-N 427.453 4.043 5 20 IIBD Cc1cc(C(=O)OC[C@@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])cc(C)c1OC(F)F 730929737 QMEZMFRQPJYYBP-INIZCTEOSA-N 448.422 4.275 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)c([N+](=O)[O-])c1 731276527 MTKVIRJDULMZEM-VHKYSDTDSA-N 434.448 4.431 5 20 IIBD CC(C)(C)c1csc(C2CCN([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC2)n1 731479979 GEJOABMMLVZTPY-GOSISDBHSA-N 428.558 4.334 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(N3CCCC3=O)c(F)c2)CC1 732646886 KQVVUODOGGSLHK-UHFFFAOYSA-N 440.475 4.349 5 20 IIBD O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1cccc(OCc2cccnc2)c1 733688192 OBMRKODQWXQCRR-UHFFFAOYSA-N 448.479 4.037 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O[C@@H]1CCN(c2ccc(Cl)cc2)C1=O 740236914 DWFOVHNHIMOXAF-PIGZYNQJSA-N 439.251 4.018 5 20 IIBD O=[N+]([O-])c1cccc(/C(O)=C(/C(=S)N[C@@H]2CCOc3ccccc32)[n+]2ccccc2)c1 742143324 IJQTVASGIMLAEQ-LJQANCHMSA-O 434.497 4.207 5 20 IIBD CS[C@H]1CC[C@@H](NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 742739195 GGGYWBXYBDOKHU-NQIIRXRSSA-N 436.537 4.390 5 20 IIBD CN(C(=O)OC(C)(C)C)c1ccc(OC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cc1 742766952 VEXKBHZZVMYKAH-UHFFFAOYSA-N 439.424 4.439 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(C[C@H](O)c3cccc(Cl)c3)CC2)c(C(F)(F)F)c1 743269817 AXQRIEGVYMDQMH-SFHVURJKSA-N 429.826 4.123 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)Nc1ccccc1OC(F)F 747118125 AVXKAQKGIXNBIA-VIFPVBQESA-N 448.300 4.399 5 20 IIBD Cc1ccccc1[C@@H](OC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)c1cccs1 748504134 XNJQQROYKWMWLZ-JOCHJYFZSA-N 438.461 4.023 5 20 IIBD O=C(COc1ccc2ccc(=O)oc2c1)Oc1ccc(Cc2ccccc2)cc1[N+](=O)[O-] 749062574 QRTQAWAYEXREEY-UHFFFAOYSA-N 431.400 4.276 5 20 IIBD COc1cc(C(C)=O)ccc1OC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 750685399 SQFUTDJRIKRRDI-UHFFFAOYSA-N 426.347 4.232 5 20 IIBD COc1c([N+](=O)[O-])cc(NCCC2CCC(OC)CC2)c([N+](=O)[O-])c1Br 754097583 PMYRVQWKVATFKM-UHFFFAOYSA-N 432.271 4.281 5 20 IIBD O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cc(F)cc([N+](=O)[O-])c1Br 754990036 PTPLBKXAUGKEML-NVXWUHKLSA-N 441.228 4.286 5 20 IIBD CCOc1cc(COC(=O)c2nc(C(C)C)n(-c3cccc(F)c3)n2)ccc1[N+](=O)[O-] 755549789 RJUJPULMLXGXKS-UHFFFAOYSA-N 428.420 4.194 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC(Oc2cccc(Br)c2)CC1 759287531 NZAKLNYHNRFXLH-TWGQIWQCSA-N 431.286 4.441 5 20 IIBD Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 759806578 VSPQEPMSUPTQSC-CQSZACIVSA-N 444.916 4.074 5 20 IIBD CCN(C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 763006158 DWGIGOQMMBYPRH-LBPRGKRZSA-N 430.404 4.045 5 20 IIBD C[C@H](C(=O)OCC(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 763419680 JXJKQWUYPSPDCB-QWHCGFSZSA-N 440.374 4.018 5 20 IIBD O=C(OCc1nc(CC(F)(F)F)no1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 763797483 POXZPROGMPKMCB-UHFFFAOYSA-N 431.392 4.474 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(NCc3ccc(OCCOc4ccccc4)nc3)CC2)cc1 765127688 QYLGOCCAOAGEDG-UHFFFAOYSA-N 448.523 4.206 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1Cc2ccc(Br)cc2C1 765215734 YNSQPJQRXZTPSE-UHFFFAOYSA-N 430.302 4.116 5 20 IIBD C[C@H](OC(=O)c1cc(Br)ncc1[N+](=O)[O-])C(=O)Nc1ccc2ccccc2c1 769830603 BPJGMVLTTISFJY-NSHDSACASA-N 444.241 4.090 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2nnc(SCc3ccccc3)s2)ccc1Cl 769844856 IPNIYIFLEVRQCT-UHFFFAOYSA-N 442.931 4.193 5 20 IIBD COCCCCN(Cc1ccccc1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C 769897857 YJPRFTFZQVAWEV-UHFFFAOYSA-N 426.922 4.174 5 20 IIBD C[C@H](Cc1noc(-c2cc(Br)cc([N+](=O)[O-])c2)n1)N(C)C(=O)OC(C)(C)C 771125298 MTROYPYZUAVEBE-SNVBAGLBSA-N 441.282 4.205 5 20 IIBD COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3N)C2)n1 773671888 YRLIVXLVIHOUHJ-CQSZACIVSA-N 438.509 4.329 5 20 IIBD C[C@@H](C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1cn(C)c2ccccc12 774077221 LJOZXKRHXRDLCW-SJORKVTESA-N 435.480 4.038 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NS(=O)(=O)c1ccc(Cl)cc1F 775240091 AKAGIUFXQUQAGM-UHFFFAOYSA-N 432.882 4.007 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(O)(c3c(F)cccc3F)CC2)nc1OCc1ccccc1 777818508 KERKFOKPDGXGHM-UHFFFAOYSA-N 441.434 4.335 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)OC[C@H]1CC(=O)N(Cc2ccccc2)C1 780388322 OVHCUJZHWOSQPN-KRWDZBQOSA-N 428.510 4.302 5 20 IIBD CC(C)(C(=O)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1 781841851 NYEMBDMSLWAPJO-UHFFFAOYSA-N 442.468 4.184 5 20 IIBD NC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 785105685 LZDARFSTEMJTDE-CQSZACIVSA-N 438.383 4.082 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC[C@H](O)c1cc2ccccc2s1 787339566 VMJMUXVMGKBETO-HNNXBMFYSA-N 439.415 4.361 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCOc2ccc(Br)cc21 791009111 RYQUBBBIIKGANW-UHFFFAOYSA-N 429.629 4.118 5 20 IIBD C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 791030402 UPLOFNXDJSWLMJ-LBPRGKRZSA-N 437.374 4.403 5 20 IIBD COc1ccc(OC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)cc1[N+](=O)[O-] 792116899 RONUYGWAMNNZBK-UHFFFAOYSA-N 440.412 4.271 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)[C@H](C)Oc2ccc3ccccc3c2)c([N+](=O)[O-])c1 795724698 ZCBVLVZIZSIIRB-GJZGRUSLSA-N 438.436 4.094 5 20 IIBD CC(C)c1[nH]nc(C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1[N+](=O)[O-] 796252861 HURAETXFTFSCRC-UHFFFAOYSA-N 435.651 4.197 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)C1(Cc2ccccc2Br)CC1 796384022 BEYZEVDCJHFOMN-UHFFFAOYSA-N 447.285 4.170 5 20 IIBD COc1ccc(CN2CCCC3(CCN(C)CC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 798957837 PTKMPKCGAYGCAH-UHFFFAOYSA-N 439.556 4.490 5 20 IIBD O=C(NC[C@H](O)COc1cccc(F)c1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 799691283 IPAQTMSRRYRGPV-INIZCTEOSA-N 442.468 4.055 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@]1(Cc2ccc(Cl)cc2)CCOC1 800345009 ZRAYNDVMMLMDPA-LJQANCHMSA-N 427.259 4.101 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)C[C@@H](O)c1ccc(OCc2ccccc2)cc1 804176300 JWIZNFCPNYXVSE-XMMPIXPASA-N 434.492 4.298 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1CCNC(=O)OC(C)(C)C 805299111 TYYCWERLZPORGI-HZPDHXFCSA-N 437.562 4.371 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c(F)c1N1CCOCC1 809353704 NSQAQPTUPNMASO-JOCHJYFZSA-N 449.910 4.174 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(Oc2cc(C=O)cc(C(F)(F)F)c2)c([N+](=O)[O-])c1 811860432 NUEIGRJDKRYEHH-UHFFFAOYSA-N 446.403 4.249 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N[C@H]1C[C@H](c2ccc(Br)cc2)C1 812557634 ITSWHTPZVNZOTN-KOMQPUFPSA-N 448.273 4.261 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)cc1OC 813580949 PBOCFIMQKQXCOK-AWEZNQCLSA-N 441.440 4.300 5 20 IIBD CN(C(=O)c1ccncc1)c1ccc(CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1 813648838 QMYOBEPMLOICHD-UHFFFAOYSA-N 447.495 4.001 5 20 IIBD CCc1noc(C)c1CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 818003466 SDTQOLMUHVKUTA-UHFFFAOYSA-N 442.859 4.289 5 20 IIBD COc1ccccc1Nc1ncccc1C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 914879760 DATIGJUPJBGDEZ-UHFFFAOYSA-N 447.407 4.149 5 20 IIBD COc1cc(CC(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)ccc1C 918632413 HGCSIILGQWOJPB-HXUWFJFHSA-N 440.496 4.083 5 20 IIBD CSc1cc(C(=O)COC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1NC(C)=O 919209522 CFQDNWPRZAHCJV-UHFFFAOYSA-N 428.422 4.061 5 20 IIBD C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 919443379 OHGAKKILDRQDPE-MNOVXSKESA-N 427.240 4.239 5 20 IIBD O=C(Nc1ccc(CCC(=O)N2CCCC2)cc1)c1ccc(Br)c([N+](=O)[O-])c1 920014049 NSYQNKLUVNEOHC-UHFFFAOYSA-N 446.301 4.165 5 20 IIBD COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COc2ccc([N+](=O)[O-])c(F)c2)cc1 921267132 JYXDQLQMYPOIFB-QHCPKHFHSA-N 449.438 4.499 5 20 IIBD O=[N+]([O-])c1cccc(CN2CCN(c3nnc(-c4ccccc4)cc3C(F)(F)F)CC2)c1 1251482580 KLDNFLUKNDGJSE-UHFFFAOYSA-N 443.429 4.393 5 20 IIBD CCN(Cc1ccc([N+](=O)[O-])cc1Br)CC1CCN(c2ccccn2)CC1 1255183560 AYTSZJVEVURLQM-UHFFFAOYSA-N 433.350 4.491 5 20 IIBD COc1ccc(C(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c2ccc(OC)cc2)cc1 1318026840 RKFILLQQEIZNTP-UHFFFAOYSA-N 445.475 4.473 5 20 IIBD COC(=O)c1ccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c(C)c1 1337884849 MOYBBXWNRBHZNU-GASCZTMLSA-N 425.485 4.424 5 20 IIBD CC(=O)N1Cc2ccc(NC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])cc2C1 1339424028 WCQHFGWDAAPVFS-UHFFFAOYSA-N 431.448 4.288 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1)c1ccc(O)c(F)c1 1785751012 FGVQRCHFORLKKW-UHFFFAOYSA-N 439.399 4.094 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1)c1ccc2c(c1)COC2 1789035510 VASLGGAECZOWDW-UHFFFAOYSA-N 446.463 4.015 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3[nH]cc4c3CCC4)cc2)CCC1)c1ccc([N+](=O)[O-])o1 1790001620 MPCOWZPBTMHTPR-UHFFFAOYSA-N 434.452 4.066 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)NC1(c2ccc(NC(=O)c3ccc(O)cc3)cc2)CCC1 1790302892 GHMBLUOOAGNTQC-UHFFFAOYSA-N 445.475 4.291 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1ccc(C2(NC(=O)[C@@H]3CC3(F)F)CCC2)cc1 1791184531 YEBRMSIIEDMZIO-KRWDZBQOSA-N 447.413 4.066 5 20 IIBD O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1 1791323912 OIBDHKPFDCYEHY-IXDOHACOSA-N 436.512 4.497 5 20 IIBD O=C(Cc1cc(F)ccc1[N+](=O)[O-])Nc1ccc(C2(NC(=O)c3ccccn3)CCC2)cc1 1792308245 CNUKLSNAYMIYSX-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc(F)c1Cl 1800353282 OULGHOLQRNWWKB-CLLJXQQHSA-N 449.841 4.092 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@]1(C)CC=CCC1 1803281489 YYWVRWQRNKGSDE-BMCPXHGSSA-N 429.492 4.041 5 20 IIBD C/C=C/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830615519 JKTDACWDOSMCKN-MESDEOKJSA-N 429.492 4.100 5 20 IIBD CCC[C@H]1CC[C@H](C(=O)N2CC3(CCCN3C(=O)Cc3cc(F)ccc3[N+](=O)[O-])C2)CC1 1847049624 OXLXNHYTPPHMJF-IYARVYRRSA-N 445.535 4.086 5 20 IIBD O=C(COC(=O)CSc1nc2ccccc2s1)Nc1cc(Cl)ccc1[N+](=O)[O-] 21137475 HKRLIIUAYDWUSF-UHFFFAOYSA-N 437.886 4.132 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCC[C@@H](C)C3)cc2)cc1[N+](=O)[O-] 29997982 DNDUJLXGKSBJFY-DNVCBOLYSA-N 445.541 4.355 5 20 IIBD CS(=O)(=O)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c1 58735030 ZSODHIJVZHDPQB-UHFFFAOYSA-N 439.493 4.004 5 20 IIBD Cc1ccc(N2C(=O)C[C@@H](C(=O)NCc3ccc([N+](=O)[O-])cc3)[C@@H]2c2cccs2)cc1 59786370 NHTJSWOIQOEJHA-DENIHFKCSA-N 435.505 4.375 5 20 IIBD Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 63304814 XTXLURHZOLBULC-UHFFFAOYSA-N 439.493 4.194 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2cccc(COCC3CC3)c2)cc1[N+](=O)[O-] 65080410 HIDWVSCOALWOEX-UHFFFAOYSA-N 439.497 4.053 5 20 IIBD O=[N+]([O-])c1ccc(N2CCO[C@H](c3ccc(F)c(F)c3)C2)nc1OCc1ccccc1 302149006 ARVXGEDJHITDJX-FQEVSTJZSA-N 427.407 4.425 5 20 IIBD Cc1cccc(Oc2ccccc2CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c1 303320323 RCDUAJMCDNSCTJ-UHFFFAOYSA-N 429.436 4.206 5 20 IIBD CS(=O)(=O)c1cccc(Oc2ncccc2CNc2c(Cl)cccc2[N+](=O)[O-])c1 432330169 YEDWXIPHUYJXII-UHFFFAOYSA-N 433.873 4.451 5 20 IIBD CN(C)c1ccc(-c2cncc(C(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCCO4)c2)cc1 434006362 ASNUANICAHGUGZ-UHFFFAOYSA-N 434.452 4.136 5 20 IIBD C[C@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 436152826 NWLPDALKYLGQCR-GASCZTMLSA-N 441.522 4.446 5 20 IIBD O=C(Nc1ccc(Cc2nnc3ccccn23)cc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437276918 PDARNGLTFPFARO-UHFFFAOYSA-N 441.369 4.499 5 20 IIBD CCOC(=O)CCc1ccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 438775949 RJZDOLVVXFUBSC-UHFFFAOYSA-N 447.296 4.198 5 20 IIBD Cc1ccc(-c2ccnn2C)cc1NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 439968872 QFGRLWPTJVWCAM-UHFFFAOYSA-N 435.484 4.379 5 20 IIBD CCO[C@H]1C[C@](O)(CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1(C)C 442750619 GQIBETINUICXRN-UGKGYDQZSA-N 430.526 4.042 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCc2c(F)ccc(F)c2C1 444238872 OVDWRWIVHFFFBE-UHFFFAOYSA-N 426.369 4.436 5 20 IIBD COc1ccc(-c2ncc(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3O)s2)cc1OC 444351950 MAVBRENUUHLAEL-UHFFFAOYSA-N 435.845 4.347 5 20 IIBD Cc1c(C(=O)N(C)c2ccc(OCc3ccccc3)cc2)nnn1-c1cccc([N+](=O)[O-])c1 444462638 GDZGWIDIVKYMAX-UHFFFAOYSA-N 443.463 4.340 5 20 IIBD COc1cccc(C(=O)c2ccc(C(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCCO4)cc2)c1 445565829 VVGXCWWHOQHTCY-UHFFFAOYSA-N 448.431 4.248 5 20 IIBD Cc1c(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cccc1-n1cnnc1O 461082743 OYEZZRZATBLTOQ-UHFFFAOYSA-N 444.451 4.054 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N(Cc3ccc(F)cc3)C3CC3)n2C[C@H]2CCOC2)c1 461362278 ISLTUYNPHLSLRS-QGZVFWFLSA-N 437.475 4.198 5 20 IIBD O=C(CCC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1cc(Cl)sc1Cl 461406988 LTOZXNZVTWURKK-UHFFFAOYSA-N 429.281 4.347 5 20 IIBD CNc1c(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)cccc1[N+](=O)[O-] 462934385 AHVMENLFEYIRPE-UHFFFAOYSA-N 437.418 4.134 5 20 IIBD NC(=O)c1ccc(N[C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)c([N+](=O)[O-])c1 463075912 GKKLEKMRYKGYBB-OAQYLSRUSA-N 439.855 4.320 5 20 IIBD COc1ccccc1CN(Cc1cccs1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] 463314486 MQKLCBBUCBPIAS-UHFFFAOYSA-N 425.510 4.330 5 20 IIBD CCCCOc1ccc([C@H](C)NC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1OC 464037845 HSJFEBSQORSROV-INIZCTEOSA-N 443.500 4.215 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2nc3cc(Cl)ccn3n2)cc1 464641068 ASRLNFPSSUPLOZ-UHFFFAOYSA-N 439.815 4.344 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 464706328 DFTFCLBRFJGDIV-UHFFFAOYSA-N 439.493 4.235 5 20 IIBD COc1ccccc1-c1ccc([C@@H](C)NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 465109162 GXKLIKGZPCGWSI-MRXNPFEDSA-N 448.475 4.462 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 468133458 YSMHWRXUCIHPOC-MRXNPFEDSA-N 435.912 4.441 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C[C@]2(CCO[C@@H]2C)O1 468537569 RFEKFNSPICDRMZ-MCFFVMPBSA-N 428.510 4.155 5 20 IIBD O=C(CN1CC[C@H](c2c(F)cccc2F)C1)Nc1ccc([N+](=O)[O-])cc1Br 469462434 IKWASMLCBIRIOJ-NSHDSACASA-N 440.244 4.064 5 20 IIBD O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)Nc1cc(F)cc([N+](=O)[O-])c1 470152175 MCOPOEPYIKYUSK-UHFFFAOYSA-N 432.415 4.303 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccccc1CN1CCSCC1 477515031 YXOJQVKUOJEXRP-UHFFFAOYSA-N 434.949 4.161 5 20 IIBD C[C@H](NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)c1ccc(NC(N)=O)cc1 480347045 FMDCKGYVJHAPAP-OAGGEKHMSA-N 439.516 4.059 5 20 IIBD COC(=O)[C@H](CNC(=O)c1cccc(SC)c1[N+](=O)[O-])Cc1ccc2ccccc2c1 486231571 NIEVDMYNVYAAGI-SFHVURJKSA-N 438.505 4.232 5 20 IIBD O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 487754620 GGMVMAZZCFPOPK-UHFFFAOYSA-N 426.388 4.129 5 20 IIBD COC[C@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 488123116 HNVHSKJWAGGUCU-HNNXBMFYSA-N 432.782 4.307 5 20 IIBD O=C(N[C@H]1CCOC2(CCC2)C1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 489246382 BLVYXCONBPAHGU-INIZCTEOSA-N 441.450 4.048 5 20 IIBD O=C(Nc1nc2ccc(Br)cc2[nH]1)c1cc([N+](=O)[O-])ccc1OC(F)F 489797513 SCCXRJABKONYLS-UHFFFAOYSA-N 427.161 4.087 5 20 IIBD Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)cc2)n1 489799856 LEPCXAVBSFUKPK-AWEZNQCLSA-N 430.411 4.490 5 20 IIBD CC[C@H](NC(=O)Nc1nnc(Cc2cccc(OC)c2)s1)c1cccc([N+](=O)[O-])c1 489920061 BKGVRJSQDPIFMG-KRWDZBQOSA-N 427.486 4.319 5 20 IIBD Cc1ccc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cc1S(=O)(=O)C1CCCC1 491343048 MMCMWCLUFRSHSM-UHFFFAOYSA-N 427.482 4.353 5 20 IIBD CN(CC(C)(C)O)[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 495038917 PANIXJLCUUNQLY-LJQANCHMSA-N 440.525 4.101 5 20 IIBD O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1cc([N+](=O)[O-])ccc1OC(F)F 498185394 XUDJXMSJVZNRNZ-ZDUSSCGKSA-N 426.347 4.145 5 20 IIBD O=C(N[C@H](CC1CCC1)c1ccccc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 498344664 KEDVCWNGKGJUGW-GOSISDBHSA-N 442.541 4.055 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1c2ccccc2CC[C@@H]1n1ccnc1 498470902 FXMKQZAFNRBUOC-FPOVZHCZSA-N 439.903 4.215 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CCCC[C@H]2c2nnc(C3CCOCC3)o2)cc1[N+](=O)[O-] 499105945 LXNJUSGUEONOMS-QAPCUYQASA-N 443.504 4.178 5 20 IIBD O=[N+]([O-])c1ccccc1-c1ccc(CN2CCOC[C@@H]2c2noc(-c3ccccc3)n2)o1 501740209 FZRNVJBBAQCJOV-HXUWFJFHSA-N 432.436 4.478 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1cc2c(cc1Br)OCCO2 502009212 KAMDCSUSLUFBDV-UHFFFAOYSA-N 449.301 4.108 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccc(COC2CCOCC2)cc1 502101137 PVHLZUZZOMUMKE-UHFFFAOYSA-N 448.903 4.029 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 504064787 ZKLNJMSMOKEVER-NRFANRHFSA-N 439.903 4.338 5 20 IIBD CCOc1ccc([C@@H](C)NCC(=O)N2CCC(Cc3ccccc3)CC2)cc1[N+](=O)[O-] 504925979 GDBUIWSQNVLBML-GOSISDBHSA-N 425.529 4.125 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 509228732 YJWXNPPBCRLGRF-HXUWFJFHSA-N 426.473 4.155 5 20 IIBD CCN(CC)C(=O)c1ccc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 509346884 YNIBRDSXKBSDDT-UHFFFAOYSA-N 426.517 4.197 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 511296309 ONOZBYRZQPKDSI-GOSISDBHSA-N 444.431 4.107 5 20 IIBD Cc1ccsc1C(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 511399855 QEJSWFLHDUCWCW-UHFFFAOYSA-N 432.479 4.413 5 20 IIBD Cc1c(Br)cc(C(=O)NC[C@H](c2ccccc2)C(C)(C)CO)cc1[N+](=O)[O-] 511613724 QELYMQOBPYAKDF-MRXNPFEDSA-N 435.318 4.198 5 20 IIBD O=C(NCCCc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1I 512073454 DWUVNJPWHWTFRL-UHFFFAOYSA-N 444.656 4.215 5 20 IIBD COc1ccc(-c2ccc(C)c(NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)c2)cn1 513020771 UIQKNBNLPOCPPY-UHFFFAOYSA-N 429.436 4.412 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@@H](COc2ccccc2Cl)C1 513881148 KSQFNUAHIPJCQH-MRXNPFEDSA-N 440.887 4.365 5 20 IIBD Cc1ccc([C@H]2CCCN2S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 518200841 VWTKGFDQJXZMGD-QGZVFWFLSA-N 425.304 4.192 5 20 IIBD O=c1c2ccccc2[nH]c2ccc(-c3nc(Cc4cc(Br)cnc4O)no3)cc12 520457343 JNHYSJXEJXFYBM-UHFFFAOYSA-N 449.264 4.185 5 20 IIBD Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)s2)cc1 520971248 CKTBCKXMAYRFRP-CQSZACIVSA-N 448.508 4.407 5 20 IIBD Cc1ccc(CN(C(=O)CNc2ccccc2[N+](=O)[O-])c2ccc3c(c2)OCCO3)s1 521141278 VGKLAARWMGVQPT-UHFFFAOYSA-N 439.493 4.381 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2Cc3ccccc3-c3ccccc3C2)cc1OC 522435499 SVCZWXNOVSLFBI-UHFFFAOYSA-N 448.475 4.452 5 20 IIBD COc1cc(OCC(=O)Nc2cccc(CSC3CCOCC3)c2)ccc1[N+](=O)[O-] 523795989 RYEOHOOPDNLWAA-UHFFFAOYSA-N 432.498 4.033 5 20 IIBD COCCN(CCOc1ccc(F)cc1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 524568972 JMEYSEGOEPNMDD-UHFFFAOYSA-N 445.472 4.025 5 20 IIBD COc1cc(C(=O)N2CCCc3cc(Br)cc(C)c32)cc([N+](=O)[O-])c1OC 525032080 TWSBGMXAJVAGHB-UHFFFAOYSA-N 435.274 4.276 5 20 IIBD O=[N+]([O-])c1cc2c(c(CN3CC[C@H](Oc4ccc(Cl)c(Cl)c4)C3)c1)OCOC2 532107579 WDZSEACCCNAONC-INIZCTEOSA-N 425.268 4.421 5 20 IIBD Cc1ccccc1CCNC(=O)c1ccc(C(=O)NCCc2ccccc2C)c([N+](=O)[O-])c1 532349347 SKSICCAQZOWCKW-UHFFFAOYSA-N 445.519 4.157 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CS(=O)(=O)Cc3cccc(C(F)(F)F)c3)co2)cc1 534060921 UHSLTQZIMRWENY-UHFFFAOYSA-N 426.372 4.384 5 20 IIBD C[C@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccc(OCc2cccnc2)cc1 534268996 MIXVSLCVIXBLDO-KRWDZBQOSA-N 443.463 4.246 5 20 IIBD Cc1ccc2nc(COc3cccc(C(=O)NCCc4cccc([N+](=O)[O-])c4)c3)cn2c1 534732064 PZSCTLQPZGIBJP-UHFFFAOYSA-N 430.464 4.102 5 20 IIBD CC[C@@H](NC(=O)c1cc(SC)ccc1[N+](=O)[O-])[C@H](c1ccc(C)cc1)n1cncn1 535206846 UNSVWMWADZTPRT-QUCCMNQESA-N 425.514 4.015 5 20 IIBD CN(Cc1ccc(Cl)s1)C(=O)c1cc(I)cc([N+](=O)[O-])c1 535739349 JRUHQQJVBHSQHQ-UHFFFAOYSA-N 436.658 4.187 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNCc3ccc(N4CCOCC4)nc3)o2)c(Cl)c1 537212353 YCVBLGVDSZUESN-UHFFFAOYSA-N 428.876 4.030 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(C)=O)C2(CCCCC2)C1 538552423 ZRQQVSGQHZVSIT-UHFFFAOYSA-N 433.574 4.494 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1 539688081 OMDFCCXZURWRMJ-UHFFFAOYSA-N 441.506 4.250 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1ccc(Cl)c(F)c1 541959322 VGGZIHMIRGFQBC-CYBMUJFWSA-N 446.765 4.023 5 20 IIBD COc1ccc(OC(F)F)c(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1 544093867 NKUZCAAPICCMLA-UHFFFAOYSA-N 432.832 4.267 5 20 IIBD COC(=O)c1ccc(Br)c(C)c1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F 544400266 SLURXKCRRQPLQI-SECBINFHSA-N 439.237 4.334 5 20 IIBD Cc1[nH]c2ccc(-c3noc(-c4nn(-c5ccccc5[N+](=O)[O-])c(C)cc4=O)n3)cc2c1C 545644768 YVZGQOQKXIOABN-UHFFFAOYSA-N 442.435 4.264 5 20 IIBD O=C(NCCOC[C@H]1CCCO1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 545939532 XTZVBZYBBKVMIO-OAHLLOKOSA-N 436.917 4.325 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3nc(-c4cccc(OCC(F)F)n4)no3)cs2)cc1 546550401 GBULWWNXHPBBEZ-UHFFFAOYSA-N 431.380 4.474 5 20 IIBD COc1ccc(Cc2noc(-c3ccn(-c4ccccc4[N+](=O)[O-])n3)n2)cc1OC(F)F 547054638 ZZRCTKYJCWGLKN-UHFFFAOYSA-N 443.366 4.031 5 20 IIBD CC(C)(C(=O)NC1CCN(c2nc3ccccc3s2)CC1)c1ccc([N+](=O)[O-])cc1F 547274507 CJNMTPWYYNEDMA-UHFFFAOYSA-N 442.516 4.406 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 552762256 XYWHVPBRXBKJNJ-YLJYHZDGSA-N 442.516 4.194 5 20 IIBD Cc1ccc(Cl)c2sc(NC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)nc12 553824203 BNKRGSXXRBTOLY-UHFFFAOYSA-N 446.872 4.493 5 20 IIBD O=[N+]([O-])c1cc2c(O)ncnc2cc1N1CCC(c2ccc(Br)cc2)CC1 554522387 KGFGCIIKKUXXJD-UHFFFAOYSA-N 429.274 4.390 5 20 IIBD CSc1cccc([C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])c2ccc(F)c(F)c2)c1 565572337 ZOMWPIUOZUDESJ-QGZVFWFLSA-N 430.436 4.290 5 20 IIBD CCS(=O)(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)cc1 566696244 LGOAYANVHNDDHS-UHFFFAOYSA-N 436.555 4.067 5 20 IIBD CN(C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)c1ccc(Cl)c(C(F)(F)F)c1 568561034 RMHVLJWDGXTUAO-UHFFFAOYSA-N 443.809 4.380 5 20 IIBD Cc1c(Cl)cccc1NC(=O)CCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 590201725 NRLHVQAMHKUKQH-UHFFFAOYSA-N 429.782 4.334 5 20 IIBD Cc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)nc(N2CCCC2)n1 590453658 IKLQWHGJYSKXOO-UHFFFAOYSA-N 441.557 4.258 5 20 IIBD CCc1ccccc1NC(=O)CN(C)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 600874862 DSVLGWYOBOUHTB-UHFFFAOYSA-N 446.507 4.480 5 20 IIBD COC(=O)C1(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CCCC1 603496147 IMZSHGRWQWFCLO-UHFFFAOYSA-N 431.876 4.076 5 20 IIBD COCCN(C(=O)c1cnn(C(C)(C)C)c1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603750577 VDFUQXXSLYALGM-UHFFFAOYSA-N 443.529 4.271 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1 603826196 YLINFOAQLDOXJP-UHFFFAOYSA-N 429.436 4.163 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@H](NCc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 604048034 YLEBMGYAIUNZKM-HSZRJFAPSA-N 435.480 4.390 5 20 IIBD CSc1ccc(C(=O)Nc2cc(-c3ccc(Cl)cc3)nn2CCO)cc1[N+](=O)[O-] 608944983 MBDVMRMIJVTCFZ-UHFFFAOYSA-N 432.889 4.078 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CC2)cc1OC 608948703 QAJXDLBTPPLPFI-UHFFFAOYSA-N 438.402 4.483 5 20 IIBD CCC(CC)N(C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C1CC1 609129410 HELKDMVABAHJDV-UHFFFAOYSA-N 431.514 4.189 5 20 IIBD Cn1c([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2Br)nc2ccccc21 610042904 HAOMXJHCNFUISH-KRWDZBQOSA-N 429.274 4.221 5 20 IIBD CCOC(=O)C[C@H](NC(=O)c1cc(C)ccc1[N+](=O)[O-])c1ccc(Br)cc1 610227300 JLDPGZQVWLYIBZ-INIZCTEOSA-N 435.274 4.090 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CCC(CCN2CCOCC2)CC1 611202247 APYXWGHXVFEBBE-UHFFFAOYSA-N 447.601 4.204 5 20 IIBD CCCn1cc(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)nn1 611228445 AXMQXOHXSQYVDC-UHFFFAOYSA-N 433.827 4.111 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 611531462 HXYXNRRSVCQZPT-FQEVSTJZSA-N 433.468 4.112 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)ccc1[N+](=O)[O-] 725948164 PAMKHMYTSMVIJE-ZDUSSCGKSA-N 428.441 4.016 5 20 IIBD O=C(COC(=O)c1ccc(OCc2ccccc2)nc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 725982427 ZZQRSHPJSRJRKM-UHFFFAOYSA-N 441.827 4.018 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2csc(-c3c(F)cccc3F)n2)cccc1[N+](=O)[O-] 726219492 OBWZLLARHLOYOG-LLVKDONJSA-N 447.419 4.489 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)c2ccccc2)cc1 726646659 CETVYRWLRZRIED-QFIPXVFZSA-N 436.468 4.030 5 20 IIBD O=C(COC(=O)[C@@H](OC1CCCC1)c1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl 727017382 MCFKTZIBHAJMNW-FQEVSTJZSA-N 432.860 4.430 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(CC[C@@H](O)c2ccccc2)c1 727361217 BYXBUFBHRCFEQO-OAQYLSRUSA-N 426.494 4.370 5 20 IIBD CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])cc2)cc1 727711955 ADJPAHOFZUIFFU-UHFFFAOYSA-N 448.403 4.321 5 20 IIBD Cc1nc(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])sc1Cc1ccccc1Cl 731612308 UAAMRRJCALDHIQ-UHFFFAOYSA-N 445.884 4.434 5 20 IIBD COc1cc(C(=O)N[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)c([N+](=O)[O-])cc1OC(F)F 732544650 RPWMZFSSHFVPHB-QMMMGPOBSA-N 440.790 4.226 5 20 IIBD C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 732840895 KMHPUYYIKTWYJE-JKSUJKDBSA-N 449.463 4.323 5 20 IIBD O=[N+]([O-])c1ccc2nc(Sc3ccc(CNC[C@H](O)C4CC4)cc3[N+](=O)[O-])sc2c1 733900925 QAIYHKUPSHEZID-INIZCTEOSA-N 446.510 4.124 5 20 IIBD Cc1csc(Nc2cccc(NC(=O)CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])c2)n1 735271619 PMPQBEQKHFNSKT-UHFFFAOYSA-N 445.888 4.125 5 20 IIBD Cc1csc(-c2cccc(C(=O)OCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])c2)n1 740408304 UHTGSORMNFBVOQ-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD CC(C)N(CCCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OC(C)(C)C 742636857 STWIYGQQIHBHAB-UHFFFAOYSA-N 433.427 4.379 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)C[C@H](C)c2ccccc2C(F)(F)F)cc([N+](=O)[O-])c1C 744005984 BMJIWLJWUIWHEE-LBPRGKRZSA-N 444.431 4.229 5 20 IIBD O=C1/C(=C\c2ccccc2)N=C(SCCn2ccc([N+](=O)[O-])n2)N1c1ccc(F)cc1 748616022 LHLGWGCVGNZHPQ-NBVRZTHBSA-N 437.456 4.108 5 20 IIBD CC[C@H](OC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(NC(C)=O)cc1 748870264 QOUKATFMFHSJFC-YJYMSZOUSA-N 430.482 4.239 5 20 IIBD CC(C)(C)c1ccc(C(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1[N+](=O)[O-] 749357075 ALTDGSWKWUXXBW-UHFFFAOYSA-N 442.472 4.269 5 20 IIBD Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2cccc(Cl)c2[N+](=O)[O-])c1C 750155896 MEZXHLRQRFYEQH-INIZCTEOSA-N 445.903 4.125 5 20 IIBD O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1ccc(Oc2cccnc2)cc1 750434668 LKVYEKZRPOOJFW-UHFFFAOYSA-N 434.452 4.251 5 20 IIBD O=C1CCCN1CC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc21 751275223 PPHQXGJMUMKLQI-CQSZACIVSA-N 428.876 4.396 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)Nc1ccc(F)c(Cl)c1 751693253 XLBYOOGYHZIURG-UHFFFAOYSA-N 449.591 4.084 5 20 IIBD CC(C)(C)C[C@H](O)C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 751770511 DAZLZMCZTSCHIE-ZWKOTPCHSA-N 434.876 4.268 5 20 IIBD CCOc1cc(NC(=O)NCC2([C@@H](O)c3ccccc3)CC2)c([N+](=O)[O-])cc1OCC 752172595 GHXZKRCGLNOOAC-FQEVSTJZSA-N 429.473 4.028 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cc(NC(=O)OC(C)(C)C)ccc1C 753912200 VIVSPPYCQYEXEF-UHFFFAOYSA-N 430.461 4.309 5 20 IIBD CN(Cc1cc(Br)ccc1F)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 756965725 PTMZSFJXKQIHJP-UHFFFAOYSA-N 430.661 4.491 5 20 IIBD O=C(COC(=O)c1ccc(F)cc1[N+](=O)[O-])Nc1cccc(CSc2ccccn2)c1 758112474 GXJYAVDGTROALN-UHFFFAOYSA-N 441.440 4.217 5 20 IIBD CCOc1cc(NC(=O)N2CCC[C@H]2C[C@H](O)c2ccco2)c([N+](=O)[O-])cc1OCC 758521511 HHXUUKOIAPHYCJ-YOEHRIQHSA-N 433.461 4.105 5 20 IIBD CC[C@@H](C)c1ccc(N(CCC2OCCCO2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 760416531 KAWCGCFCCJZEIB-QGZVFWFLSA-N 448.541 4.457 5 20 IIBD Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)OCCn1cc([N+](=O)[O-])ccc1=O 761370901 CPLRGZCVNWQGKX-UHFFFAOYSA-N 443.459 4.066 5 20 IIBD Cc1onc(-c2ccccc2Cl)c1C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 763029161 MRMHKKLWLJEBFP-GFCCVEGCSA-N 429.816 4.396 5 20 IIBD C[C@@H](NC(=O)COC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 763408515 RYGSGSHEOXMWLH-VXGBXAGGSA-N 425.268 4.426 5 20 IIBD O=C(c1cnn(-c2ccccc2)c1Br)N1CCCc2c1cccc2[N+](=O)[O-] 765088104 HZUNLPMIUMBHQO-UHFFFAOYSA-N 427.258 4.136 5 20 IIBD CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)cc1Cl 769630380 IKKKIDUNCVQPFQ-UHFFFAOYSA-N 436.248 4.108 5 20 IIBD CSc1ccc(C(=O)N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] 769762791 FKYHQJUSGXMYRC-UHFFFAOYSA-N 437.562 4.426 5 20 IIBD CCOC(=O)N1CC[C@@H](NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 770104861 LGXAODXHMSFNOU-CQSZACIVSA-N 449.916 4.360 5 20 IIBD O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 771929339 XHNBWCOPYDOEDM-NSHDSACASA-N 440.447 4.346 5 20 IIBD Cc1cc(C(F)(F)F)c(Oc2ccc(I)cc2[N+](=O)[O-])nn1 775539755 GJJFGNBKKCKEOQ-UHFFFAOYSA-N 425.104 4.109 5 20 IIBD COc1ccc(NC(=O)CCN[C@H](C)c2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])c1 775549722 ZTPGNSTXTHCSFS-GFCCVEGCSA-N 427.379 4.181 5 20 IIBD O=C(NCCCCc1nc(-c2cccnc2)cs1)C(F)(F)c1ccc([N+](=O)[O-])cc1 778258231 YWWCODGYEXIZJB-UHFFFAOYSA-N 432.452 4.344 5 20 IIBD O=C(OCc1noc(-c2ccc(F)cc2F)n1)c1ccc(Br)cc1[N+](=O)[O-] 781192289 KCBQVBUOIOESMX-UHFFFAOYSA-N 440.156 4.043 5 20 IIBD CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCc1ccc([N+](=O)[O-])c(C)c1 781470288 OLUASZAWARAHOB-QGZVFWFLSA-N 436.917 4.152 5 20 IIBD O=C(CCN1CCCCC[C@H]1C[C@H](O)c1ccccc1)Nc1cc([N+](=O)[O-])ccc1F 782511518 XJQKZPRPVQYGKG-AVRDEDQJSA-N 429.492 4.431 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1ncc(Br)s1 785026439 IJZZWNLUQOMHTG-UHFFFAOYSA-N 429.295 4.117 5 20 IIBD COc1cc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc(Br)c1OC 785750621 XQNRCVMIBINLLP-UHFFFAOYSA-N 443.681 4.300 5 20 IIBD Cc1ccc2nc(-c3cccnc3)cc(C(=O)OCC(=O)Nc3ccccc3[N+](=O)[O-])c2c1 785798163 QKDNOUDFBJHPFT-UHFFFAOYSA-N 442.431 4.309 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Oc2ccc(F)c(C(F)(F)F)c2)ccc1[N+](=O)[O-] 786656009 NDSRCQPXNBQVPX-QGZVFWFLSA-N 440.349 4.271 5 20 IIBD O=C(Cc1nc(-c2ccc(F)cc2)cs1)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 786999939 JBKJWSYKYVMPHJ-UHFFFAOYSA-N 440.412 4.193 5 20 IIBD Cc1nc2cc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)ccc2n1Cc1ccsc1 788211303 BRRJHJGKPGJFBZ-UHFFFAOYSA-N 435.461 4.402 5 20 IIBD Cc1cc(N2CCCC2)ccc1NC(=O)COC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790741528 NNWBSYBOPYRIOD-UHFFFAOYSA-N 449.866 4.020 5 20 IIBD CC(C)(C)[C@H]1C[C@H](NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCO1 790798570 CRLCXSQJEFQFFX-SJKOYZFVSA-N 440.338 4.019 5 20 IIBD CN(C)c1cc(F)c(C(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)cc1[N+](=O)[O-] 791357718 RRWPORCGLFZHQR-UHFFFAOYSA-N 429.477 4.230 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCc1cnc(-c2ccc(Cl)cc2)s1 793102964 WQLJZGHAQCSOFJ-UHFFFAOYSA-N 448.863 4.074 5 20 IIBD O=C(Oc1ccc(Cc2ccccc2)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)c2ccccc21 793161297 SLJUMFGBMQPDEH-LJQANCHMSA-N 437.473 4.052 5 20 IIBD COc1ccc([C@@H]2CCCN2CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)cc1 795406079 OTBPSMXLSDITKL-SFHVURJKSA-N 446.301 4.116 5 20 IIBD Cc1cc(OCC(=O)Nc2ccccc2CN(C)C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] 797440652 SKHZPWVJSVDXCB-UHFFFAOYSA-N 429.473 4.288 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCc1nnc(-c2ccccc2Br)o1 798129022 LKQDSABYEGWZOT-JXMROGBWSA-N 430.214 4.164 5 20 IIBD Cc1ccc(NC(=O)Cc2nc(COC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)cs2)cc1 798130103 HZBUWELOWJJZPT-WDZFZDKYSA-N 437.477 4.298 5 20 IIBD CCOCC1(C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 799558679 MPFYBQRWXSBPSZ-SFHVURJKSA-N 432.860 4.288 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2cccc(C(=O)Nc3ccccc3)c2)cccc1[N+](=O)[O-] 803906486 FDZKGKNMUMKJJA-MRXNPFEDSA-N 447.447 4.340 5 20 IIBD Cc1ccc(CNC(=O)C2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3Cl)CC2)cc1 809912971 QUOXTPXASNZIBN-UHFFFAOYSA-N 430.892 4.117 5 20 IIBD CN1CCC(N(C)[C@@H]2CCCC[C@@H]2N(C)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 809917502 MIZQWGIRUXIHMC-MSOLQXFVSA-N 437.972 4.049 5 20 IIBD Cc1ccc(CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c(O[C@H]2CCOC2)c1 813053492 KOVMJBSOOQZXKN-AWEZNQCLSA-N 425.268 4.308 5 20 IIBD O=C(NC1CCCCC1)OC[C@H]1CCCCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 813728729 KDDZXFVNDMBWPN-QGZVFWFLSA-N 428.489 4.130 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC12CCC2 816857417 GXJAQRABVKOESG-OAHLLOKOSA-N 428.489 4.128 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)CC2)C1 817208348 UCTDHUFUSZPGGP-UHFFFAOYSA-N 437.924 4.040 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1ccc(N2CCCOC2=O)cc1 817312473 FCBXGKOWGCVFEO-FUHWJXTLSA-N 425.485 4.388 5 20 IIBD CNc1c(C(=O)N2CCC[C@@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cccc1[N+](=O)[O-] 817653570 YWFKTOZDVXPGHO-SJORKVTESA-N 446.548 4.136 5 20 IIBD CC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c(C(F)(F)F)c1 832920071 QAICJAOKWFYLQY-UHFFFAOYSA-N 426.307 4.041 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1 912930701 PTXJAABHXCVNPJ-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N(C[C@H](O)Cc2ccccc2)c2ccccc2)ccc1Cl 913116683 GHJTYNSYYSZAAW-GOSISDBHSA-N 446.912 4.047 5 20 IIBD CC(C)[C@H](C)N(C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C1CC1 914779000 WPRAQJZBDZFCJD-HNNXBMFYSA-N 432.498 4.012 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1(c2ccc(Br)cc2)CC1 914800933 GUULJNJHLBNENF-UHFFFAOYSA-N 444.241 4.182 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cccc(-c3cn4c(n3)CCCC4)c2)cc([N+](=O)[O-])c1 917496866 GKGAKQWMFLKREZ-UHFFFAOYSA-N 434.452 4.224 5 20 IIBD C[C@H](c1cccc(Cl)c1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 917922913 FOHJKBQEYDFPRR-SNVBAGLBSA-N 433.711 4.392 5 20 IIBD O=C(Cn1c(COc2ccccc2)nc2ccccc21)OCCc1ccc([N+](=O)[O-])cc1 918818957 ZFONOLPPXFGXPT-UHFFFAOYSA-N 431.448 4.309 5 20 IIBD CCC(=O)c1ccc(OC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])cc1 919975000 HOXDTVAXXRZHAV-UHFFFAOYSA-N 442.449 4.451 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)c2cccs2)CC1 1327390962 IOLDZWNOZLMBQC-UHFFFAOYSA-N 437.315 4.462 5 20 IIBD CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc([N+](=O)[O-])cc5c4OCC5)CCC3)cc2)CC1 1787601136 DFZHIBLBBKKDPE-UHFFFAOYSA-N 435.480 4.078 5 20 IIBD Cc1c[nH]cc1C(=O)Nc1ccc(C2(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)CCC2)cc1 1788732440 CNMHFZXOAVVNPP-UHFFFAOYSA-N 436.443 4.432 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C3(NC(=O)CCC(C)C)CCC3)cc2)n1 1788854082 BHNREQHUGNXVQO-UHFFFAOYSA-N 440.500 4.182 5 20 IIBD O=C(Cc1cc(F)ccc1[N+](=O)[O-])NC1(c2ccc(NC(=O)[C@H]3CC3(F)F)cc2)CCC1 1789137860 URILVCKXEDXFTC-QGZVFWFLSA-N 447.413 4.066 5 20 IIBD CC[C@H](C(=O)NC1(c2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)CCC1)c1ccccc1 1789687940 PQFXSMIOZPMLKT-IBGZPJMESA-N 447.495 4.259 5 20 IIBD O=C(CC1CCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(Cl)cc1[N+](=O)[O-] 1793074456 QAXZCZBEHTZKKH-REPLKXPHSA-N 433.936 4.009 5 20 IIBD CC1=CC[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CSc2ccccc2[N+](=O)[O-])C3)CC1 1797699371 UIOIBJFJNFZFAM-AKHDSKFASA-N 443.569 4.072 5 20 IIBD CC(C)[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1800530651 SEHJFEKZBFLNEE-YCEIQTCASA-N 445.535 4.448 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc3ccoc23)[nH]n1)c1ccc([N+](=O)[O-])o1 1814312263 LNTHXMOXGNLJPC-MRXNPFEDSA-N 449.423 4.277 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CC=CCC2)CC1 1824105261 LBVOHXMJTXQCFM-GCJKJVERSA-N 443.519 4.324 5 20 IIBD Cc1ccoc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1827737033 UCPPVJNFJFLJSC-WSSFADSRSA-N 441.484 4.036 5 20 IIBD Cc1cscc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 1827802055 VQCKCGGMJBTRRY-KRWDZBQOSA-N 431.514 4.105 5 20 IIBD Cc1cccc(C(=O)N2CC3(CCCN3C(=O)c3cc(Cl)cc([N+](=O)[O-])c3C)C2)c1F 1845498485 NDQDFEUDFOUNIU-UHFFFAOYSA-N 445.878 4.135 5 20 IIBD CCCCC[C@@H](C)C(=O)N1CCCC12CN(C(=O)Cc1ccc(Cl)cc1[N+](=O)[O-])C2 1846019761 NXQJKRZLRZCIHN-MRXNPFEDSA-N 435.952 4.211 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N(Cc2ccccc2)c2ccccn2)cc1[N+](=O)[O-] 10779842 JQTWQHDWPZLVOB-UHFFFAOYSA-N 446.492 4.117 5 20 IIBD CCCOc1c(Cl)cc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1OC 15381963 DQUBHMIUWGRFIH-UHFFFAOYSA-N 433.892 4.008 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 16868150 RCCYTCWTYNURCD-NWDGAFQWSA-N 438.889 4.308 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)C2(c3ccc(F)cc3)CCCC2)c([N+](=O)[O-])c1 17054609 MXIMANWMHODGKC-AWEZNQCLSA-N 430.432 4.125 5 20 IIBD CSc1ccc(C(=O)N(C)CCOc2ccc(Br)cc2)cc1[N+](=O)[O-] 18047346 PYANLNCRNQGFQG-UHFFFAOYSA-N 425.304 4.230 5 20 IIBD CN(C)c1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c2c[nH]c3ccccc23)cc1 21621395 RAORTTQZWNZEOB-FQEVSTJZSA-N 444.491 4.410 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc2cc3ccccc3cc2c(=O)n1C 22253298 OJFQDAMUQFYEKR-UHFFFAOYSA-N 434.477 4.034 5 20 IIBD Cc1ccc(Nc2nnc(SCC(=O)N3CCc4ccc([N+](=O)[O-])cc43)s2)cc1C 23208771 KOCFRWYOOQSNSR-UHFFFAOYSA-N 441.538 4.488 5 20 IIBD O=C(Nc1nc2ccccc2nc1N1CCCC1)c1ccc(Br)c([N+](=O)[O-])c1 58492751 WPPJQAWOKVOERL-UHFFFAOYSA-N 442.273 4.153 5 20 IIBD Cc1ccc(SCCNC(=O)CSc2nc3cc4ccccc4cc3c(=O)n2C)cc1 60987129 OOCXZPAOIVHKEG-UHFFFAOYSA-N 449.601 4.396 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)cc1C 63200474 KLIDILOWXRDRNJ-ZDUSSCGKSA-N 432.420 4.192 5 20 IIBD Cc1cccc(NC(=O)Nc2cccc(CNC(=O)c3cc(F)cc([N+](=O)[O-])c3N)c2)c1 64996628 QVTPPAVBDUZRKN-UHFFFAOYSA-N 437.431 4.199 5 20 IIBD Cc1c(C(=O)Nc2c(-c3ccccc3)nc3ccccn23)nnn1-c1cccc([N+](=O)[O-])c1 97213490 YIIZBMMDNQZXLJ-UHFFFAOYSA-N 439.435 4.051 5 20 IIBD COc1ccc(NC(=O)c2cccc(OCc3cn4cc(C)ccc4n3)c2)c([N+](=O)[O-])c1 218138566 JAEHHLBQGJKGNF-UHFFFAOYSA-N 432.436 4.391 5 20 IIBD O=C(c1cccc(Cl)c1Cl)N1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 301106963 QEDQSSBGWSSXHC-UHFFFAOYSA-N 431.279 4.412 5 20 IIBD O=c1c(Cl)c(N2Cc3cccc(Br)c3C2)cnn1-c1ccc([N+](=O)[O-])cc1 302244911 KHNJFKIVYYQZHU-UHFFFAOYSA-N 447.676 4.077 5 20 IIBD O=C(NCC1(c2cccc(Br)c2)CC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 303665895 XNOOOYWQOINVPV-UHFFFAOYSA-N 441.285 4.005 5 20 IIBD COC(=O)COc1ccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c2ccccc12 426130861 XVRLYTDHBMAUOG-UHFFFAOYSA-N 449.463 4.496 5 20 IIBD CCC[C@@H](C)N(C(=O)c1ccc([N+](=O)[O-])cc1OC)c1nc(C)c(C(=O)OCC)s1 427604750 RLKZHGSWEAKTLX-GFCCVEGCSA-N 435.502 4.380 5 20 IIBD O=C(Nc1nccs1)c1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 429964756 SDVQLMWJUYINPV-UHFFFAOYSA-N 447.270 4.318 5 20 IIBD Cc1cc(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)n(Cc2ccccn2)n1 430816315 ZBABVSBFUVKYHQ-INIZCTEOSA-N 434.500 4.032 5 20 IIBD C[C@H](CCO)CNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 434402626 HMOMIJWSDFAVSZ-UHVIJJLKSA-N 425.510 4.270 5 20 IIBD O=C(Nc1cccc(N2CCCC2=O)c1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 435836066 OPEKFWNUAOAYKX-UHFFFAOYSA-N 433.414 4.339 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 437051525 RTSSLSBQRKESHS-AULYBMBSSA-N 441.793 4.268 5 20 IIBD Cc1cc(C(=O)NC(C)C)ccc1NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 437899192 VRCNCMXUKVGIOK-UHFFFAOYSA-N 440.500 4.117 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@@H](C)c3ccc(-n4cccn4)cc3)cc2)c(C)c1[N+](=O)[O-] 440597320 LNXNZOPYKAEZMR-INIZCTEOSA-N 444.495 4.133 5 20 IIBD Cc1ccc([C@@H]2CCCCCN2C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)o1 440965062 GMKIBELUISSBHL-HNNXBMFYSA-N 437.399 4.180 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 443532891 PARXHMGXUHPMHX-IBGZPJMESA-N 425.485 4.149 5 20 IIBD Cc1cccc(C)c1NC(=O)Cc1noc(Cn2c3ccccc3c(=O)c3ccccc32)n1 445331660 FPTWGOAIZPTYRG-UHFFFAOYSA-N 438.487 4.384 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2cnc(OCC(F)(F)F)cn2)no1 445763086 CPRGJLXULNKUTQ-MRVPVSSYSA-N 445.741 4.169 5 20 IIBD CCOc1ccc(-n2c(Sc3ncc(C)cc3[N+](=O)[O-])nnc2-c2ccncc2)cc1 463057126 SKNZKIIFEOJSOS-UHFFFAOYSA-N 434.481 4.491 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Nc1cccc(C(F)(F)F)c1)c1cc2n(n1)CCO2 463129393 UFTOUBGNNKMAOL-UHFFFAOYSA-N 433.346 4.198 5 20 IIBD Cc1ccc([C@H](NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c2cccc(S(C)(=O)=O)c2)cc1 464373500 CYIWCNWOIPLHHC-QFIPXVFZSA-N 438.505 4.135 5 20 IIBD COCCOC[C@H]1CCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 464423895 FPBWORYUKSFSJB-KRWDZBQOSA-N 430.526 4.180 5 20 IIBD CNC(=O)[C@H]1CCC[C@H]1NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 466537977 DNISDSJOOPKENB-GOEBONIOSA-N 433.917 4.044 5 20 IIBD CC[C@@H]1Oc2cc([C@@H](C)NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)ccc2NC1=O 466767670 SJWAMPOZIPCBMH-QRWLVFNGSA-N 440.500 4.386 5 20 IIBD Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 466806026 ZDQMKSKZXJWNLT-LBPRGKRZSA-N 435.267 4.802 5 20 IIBD COc1cc(OC)cc(N(C)C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 468158211 FZVNNDUTPHXQAN-HNNXBMFYSA-N 436.468 4.457 5 20 IIBD O=C(CCCc1ccc(O)c(F)c1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 468569803 LQGVKQTUZKJIQN-UHFFFAOYSA-N 429.370 4.009 5 20 IIBD CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 470655384 GKYPKQSPSNJCJF-UHFFFAOYSA-N 443.325 4.283 5 20 IIBD C[C@@H]1CN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](C2CC2)O1 470691877 BLVZVRZDDVFQNE-UZUQRXQVSA-N 446.507 4.016 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1N1CCC(CN(C)C)CC1 471219650 SQANMOSXYBSZKU-QGZVFWFLSA-N 442.585 4.492 5 20 IIBD O=C(NC[C@@H]1CCCCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1 472261360 UYCHDYIADLZWMD-NRFANRHFSA-N 434.496 4.077 5 20 IIBD O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 472281489 ZURQDOXYOSUCOB-OAQYLSRUSA-N 433.855 4.348 5 20 IIBD COC(=O)Cn1ncc(NCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c1C 475428589 FBBWOYALYHUIIH-UHFFFAOYSA-N 430.848 4.331 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC1(N[C@H](C)c2ccccc2)CCOCC1 475551860 ZBKPMPUUUJUBOR-GOSISDBHSA-N 426.517 4.233 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(Cl)ccc1-c1nc(C2CC2)no1 476376685 KSGXPDPWMNZDFV-UHFFFAOYSA-N 434.861 4.285 5 20 IIBD COc1cccc(Cc2nnc(NC(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])s2)c1 477475147 XEWUXTRKJXVZJF-UHFFFAOYSA-N 447.904 4.063 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1ccc(OCC(F)(F)F)nc1 478131469 JBMIOKSCENTVNJ-UHFFFAOYSA-N 445.353 4.414 5 20 IIBD Cc1c(CNC(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)cccc1[N+](=O)[O-] 478921057 BMHOAVKPIVHWRE-UHFFFAOYSA-N 436.443 4.294 5 20 IIBD Cc1cc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)ccc1NC(=O)c1ccco1 481977746 PODPZKMOPUMGNX-UHFFFAOYSA-N 429.454 4.166 5 20 IIBD Cn1cc(CN2CCO[C@@H](c3ccc(F)cc3Cl)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 482282848 NPPXUSKIIFBQSU-HXUWFJFHSA-N 430.867 4.361 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 483157725 NMYQPAQDHYILQS-UHFFFAOYSA-N 443.525 4.258 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N(CCc2ccccn2)Cc2cccnc2)c1Br 485419112 IYMOOVMGRCGIHG-UHFFFAOYSA-N 428.290 4.100 5 20 IIBD Cc1cc(C[C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)n(-c2ccccc2)n1 485539909 FNFHEEOQPKGOID-CYBMUJFWSA-N 430.411 4.051 5 20 IIBD O=C(N[C@H](C[C@H]1CCOC1)c1ccccc1)c1sc(Br)cc1[N+](=O)[O-] 486433106 IVDBZMLJPFZELV-DGCLKSJQSA-N 425.304 4.317 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1COc2ccc(Br)cc21 486701323 RZIOIYTZSFOWPD-CQSZACIVSA-N 445.191 4.169 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H](C)Cc2ccncc2)cc1[N+](=O)[O-] 487826919 YZFRFNDTSZUIPE-OAHLLOKOSA-N 435.505 4.304 5 20 IIBD O=C(NCCc1nc2ccc(F)cc2[nH]1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 491053701 ULYSVSSGCRHQEY-UHFFFAOYSA-N 433.443 4.195 5 20 IIBD COc1ccc(NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1N1CCCCC1=O 493156501 OWDAGPKTSJDNAV-OAHLLOKOSA-N 426.473 4.311 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N(C)C(C)(C)CN3CCCCCC3)cc2)c(C)c1[N+](=O)[O-] 494007464 RODCXWGEZXMIER-UHFFFAOYSA-N 441.576 4.183 5 20 IIBD CS(=O)(=O)c1cc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cn2)cc([N+](=O)[O-])c1 494513567 URPSAUMNVKTWDU-UHFFFAOYSA-N 447.856 4.091 5 20 IIBD Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 497797449 BDUTWFLTLOHXJT-UHFFFAOYSA-N 433.411 4.429 5 20 IIBD CC(C)NC(=O)c1ccc(Cl)c(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 497797959 BEYVANZBUGZMJA-UHFFFAOYSA-N 427.791 4.240 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1cccc(Cl)c1Oc1cccnc1 499151673 ADJCDTAARRZGBG-UHFFFAOYSA-N 433.873 4.420 5 20 IIBD COc1cc(COc2ccc(C(=O)N3CCCC3)cc2)c([N+](=O)[O-])cc1OCC(F)F 503296753 BPHVRYCACORGOU-UHFFFAOYSA-N 436.411 4.062 5 20 IIBD Cn1cc(C(=O)Nc2nnc(CC3CCCCC3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 504565731 JSWFZAXQXQRKPN-UHFFFAOYSA-N 426.502 4.222 5 20 IIBD O=C(Nc1ccc(Oc2ccncc2)c(Cl)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 505773489 PLWPMIMMJTYGLA-UHFFFAOYSA-N 427.800 4.459 5 20 IIBD CSc1cccc(-c2nc(CNC(=O)c3ccc(Br)cc3)no2)c1[N+](=O)[O-] 514692384 YGSUZEXNDHKBGY-UHFFFAOYSA-N 449.286 4.059 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N[C@@H]2CCCc3nc(O)ccc32)cc1[N+](=O)[O-])c1ccccn1 516575736 ZORSTNHCZYEJBC-AUUYWEPGSA-N 433.468 4.071 5 20 IIBD CCCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 518135790 NQIWYDOVURCOPD-GFCCVEGCSA-N 439.390 4.218 5 20 IIBD CN1CCN(CCCCNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 518266382 UJYOWTQHXQQGCX-UHFFFAOYSA-N 432.952 4.158 5 20 IIBD C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 520503320 HWCUQCZRXTZWRO-NSHDSACASA-N 449.236 4.088 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 520859425 OGEYLAISPRNYLY-UHFFFAOYSA-N 426.075 4.465 5 20 IIBD C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)CNc1ccccc1[N+](=O)[O-])OCCO3 520952593 XJHNJZDVMGMJII-MRXNPFEDSA-N 437.496 4.193 5 20 IIBD CN(C)C(=O)c1ccc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1Cl 523892460 SVUUEQWVVWDJRX-UHFFFAOYSA-N 426.256 4.011 5 20 IIBD O=C(NC[C@@H](O)COc1ccc(F)cc1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 524223299 LRACAJVWMUAOSH-GOSISDBHSA-N 441.415 4.088 5 20 IIBD Cn1ccnc1[C@H]1CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 533701475 GVNICIDWPPLRBN-KRWDZBQOSA-N 439.903 4.224 5 20 IIBD COCCOc1cc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)nc2ccccc12 534000853 OBUKLUXGUCCLFF-JOCHJYFZSA-N 439.493 4.056 5 20 IIBD C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1cc(I)cc([N+](=O)[O-])c1 535742485 QVEDFDPBRCUGKA-SJKOYZFVSA-N 436.249 4.218 5 20 IIBD Cc1cccc(CN(Cc2ccccn2)c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])c1 535839311 UJUAMAMYAVDZNO-UHFFFAOYSA-N 441.491 4.470 5 20 IIBD O=c1c(Br)cn(Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)cc1[N+](=O)[O-] 535917254 CLJVZUIJEPEXJX-UHFFFAOYSA-N 444.163 4.241 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCN(Cc2ccsc2)CC1 536012277 XICWYLMPSPUZCM-UHFFFAOYSA-N 436.537 4.226 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](Cc2ccccc2)[C@H]1C 536468866 UFBCPONKKPYZRZ-AEFFLSMTSA-N 442.537 4.343 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1cnn(-c2ccc(F)cc2)c1C 537167677 XPSKTFNVGABFKJ-OAHLLOKOSA-N 425.464 4.216 5 20 IIBD C[C@H](C(=O)Nc1cccc(NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1)n1cccn1 539922322 GLPDGJUPJVYSRA-MRXNPFEDSA-N 445.483 4.004 5 20 IIBD Cc1cc(C(=O)NCC(=O)Nc2ccccc2O[C@@H](C)c2ccccc2)ccc1[N+](=O)[O-] 541149580 KCORXYATDOTJBD-KRWDZBQOSA-N 433.464 4.412 5 20 IIBD Cc1cc(NC(=O)CSc2ccccc2[N+](=O)[O-])n(-c2ccc(C(F)(F)F)cn2)n1 542217152 GXFQJYGORGCDQD-UHFFFAOYSA-N 437.403 4.234 5 20 IIBD CCCc1c(NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)cnn1-c1cccc(F)c1 543382884 KZIVYARMUNMDTL-UHFFFAOYSA-N 428.420 4.142 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)CCc1c(C)nc2c3ccccc3nn2c1C 546665355 IQOZMWUZTXATGF-UHFFFAOYSA-N 433.468 4.378 5 20 IIBD COc1ccc(OCc2ccccn2)c(/C=C/c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)c1 546963960 KBMWGVFCJSQYAD-UXBLZVDNSA-N 445.435 4.380 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC(Oc2cncc(Cl)c2)CC1 552173930 MJVRAXAZRGJYKP-UHFFFAOYSA-N 447.922 4.273 5 20 IIBD COc1ccc(CN2CCC[C@](CO)(C(C)C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 552407876 IFAQFQZVEHSOGS-DEOSSOPVSA-N 428.529 4.413 5 20 IIBD COCc1nc(CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])c(-c2ccccc2)s1 553813643 KKKJTQLUTRSDNP-UHFFFAOYSA-N 440.525 4.249 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@@](F)(c2cccc(Cl)c2)C1 558722341 DPKVJAALJJESRO-NRFANRHFSA-N 429.835 4.273 5 20 IIBD COc1cc(CN2C[C@@H](N3CCCC3)C[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 564306817 LXOUKHAISGCQIH-AVRDEDQJSA-N 425.529 4.241 5 20 IIBD Cc1c(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(Cl)cc1 566822381 HWUSNYDAVASGIE-UHFFFAOYSA-N 436.859 4.395 5 20 IIBD O=C(Nc1ccccc1-c1ncc2n1CCCC2)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 566921812 FYKKRNUKVMCYOS-UHFFFAOYSA-N 428.452 4.233 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 568334548 AUOFPAMACWZDLF-KOMQPUFPSA-N 435.402 4.177 5 20 IIBD Cc1ccc(CNC(=O)c2cccc(CNC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)c2)cc1 569654907 NZNGIJPVSNOSKH-SFHVURJKSA-N 431.492 4.253 5 20 IIBD O=C(Nc1ccccc1-c1ncc2n1CCCC2)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 571054539 IURDJJOBIXPIMU-UHFFFAOYSA-N 428.452 4.233 5 20 IIBD Cc1cc(=O)c(-c2nc(-c3ccc(C(C)(F)F)cc3)no2)nn1-c1ccccc1[N+](=O)[O-] 573647088 DEYKLPAKLFVDNJ-UHFFFAOYSA-N 439.378 4.278 5 20 IIBD Cn1cc(C(=O)NC[C@H](Cc2ccccc2)C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 583077206 KBYHJHFDXOFWOY-INIZCTEOSA-N 432.402 4.146 5 20 IIBD C[C@H](C(=O)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1)c1cccc([N+](=O)[O-])c1 584563919 BKZUKKYQQQQMMY-KRWDZBQOSA-N 434.496 4.134 5 20 IIBD C[C@@H]1CCCCN1Cc1ccc(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1 603895682 BOVUMCSMPFURQY-GOSISDBHSA-N 433.512 4.085 5 20 IIBD COC(=O)c1ccoc1COc1cccc2c1N(C(=O)c1cccc([N+](=O)[O-])c1)CCC2 608944944 RHXOFNMFMCSSNW-UHFFFAOYSA-N 436.420 4.146 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)cc1OC 609372557 CTOZUJGFMNYDTJ-UHFFFAOYSA-N 439.472 4.133 5 20 IIBD COc1cc(CNC[C@H](C)Sc2ccc(Br)cc2)c([N+](=O)[O-])cc1O 609467466 VHQBVFUEFUSWJB-NSHDSACASA-N 427.320 4.342 5 20 IIBD O=C(CCn1c2ccccc2c2ccccc21)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 609880997 ADPJCQRKMJVDKW-QGZVFWFLSA-N 429.480 4.201 5 20 IIBD O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1)N1CCCCC1 610044968 KHGXBBIMVSWVNU-UHFFFAOYSA-N 446.301 4.017 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC(Oc3ccccn3)CC2)cc1 610110994 DBWMRFORAIUMJA-UHFFFAOYSA-N 449.463 4.474 5 20 IIBD COc1ccccc1-n1c(NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)nc2ccccc21 610235650 CKHMSVGXSFZHCV-UHFFFAOYSA-N 432.436 4.132 5 20 IIBD Cc1cc(Br)ccc1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] 610570921 LGPMQTSKAKLSAS-UHFFFAOYSA-N 428.080 4.358 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)no1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 611268242 UQABZFZQWXXXEX-UHFFFAOYSA-N 427.432 4.225 5 20 IIBD Cc1ccc(-c2noc(CSc3ccc(C(N)=O)cc3[N+](=O)[O-])n2)cc1Br 612931887 NAVSDXOWLRAHQO-UHFFFAOYSA-N 449.286 4.107 5 20 IIBD Cc1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1Cl 725985556 MSYYZIAWKOXDBS-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD O=C(/C=C\Sc1ccccc1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 728155284 IVMXTZKUBRZYHJ-KHPPLWFESA-N 447.519 4.129 5 20 IIBD Cc1cc(C)cc(OCc2nnc(SCc3cc([N+](=O)[O-])ccc3OC(C)C)n2N)c1 729152790 VFBIAMJYTBACON-UHFFFAOYSA-N 443.529 4.175 5 20 IIBD COc1ccc(/C=C(/Cl)c2nnc(C(=O)NCc3ccc(F)cc3)s2)cc1[N+](=O)[O-] 730149812 KWJDJRXCRDDKCV-RIYZIHGNSA-N 448.863 4.261 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(C)c1OC(F)F 730855121 CTYULLKJWNQQAR-UHFFFAOYSA-N 428.775 4.262 5 20 IIBD COc1cc(CNC[C@]2(O)CCCc3ccccc32)ccc1OCc1ccc([N+](=O)[O-])cc1 731360579 JHGFHOIIDQGVNC-AREMUKBSSA-N 448.519 4.496 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2C[C@@H](N(C)C)Cc3ccccc32)cc1[N+](=O)[O-])c1ccccn1 731465665 KSTLHMXZSBPEKB-XLIONFOSSA-N 445.523 4.296 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)CC[C@H]2CCCCO2)c2ccccc2)c([N+](=O)[O-])c1 732379285 DFJWDUGBHDXWCH-XMSQKQJNSA-N 426.469 4.476 5 20 IIBD COc1ccc(NC(=O)COC(=O)C2(Sc3ccccc3)CCCC2)c([N+](=O)[O-])c1 733557054 WVXKNEHHZDCAKM-UHFFFAOYSA-N 430.482 4.190 5 20 IIBD O=C(OCc1csc(-c2ccsc2)n1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 733557589 FARFGRLSDQTVOI-CYBMUJFWSA-N 449.535 4.189 5 20 IIBD C[C@H](OC(=O)Cc1ccc(Cl)cc1Br)C(=O)Nc1ccc([N+](=O)[O-])cc1 733601210 BUNCAWLZPFKVRG-JTQLQIEISA-N 441.665 4.124 5 20 IIBD Cc1sc(=O)n(CC(=O)OCc2ccc(Cl)cc2[N+](=O)[O-])c1-c1ccc(F)cc1 734891372 NRUNTRJPRBJAEC-UHFFFAOYSA-N 436.848 4.329 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1OC(=O)CCC[S@](=O)c1ccc(Br)cc1 735207903 SQEBTNWFQUUJDO-VWLOTQADSA-N 426.288 4.159 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)OC[C@H]2CCC(=O)N(C)[C@H]2c2cccc(Cl)c2)c1 740599451 TXFQIMIQXOARPK-VLIAUNLRSA-N 432.860 4.023 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)[C@H](C)N2CCCCCC2)c2ccccc2)c([N+](=O)[O-])c1 741028933 JQBVSUQXAVWBDT-AVRDEDQJSA-N 439.512 4.391 5 20 IIBD Cc1cc(C2=N/C(=C/c3cc(Cl)ccc3OC[C@@H]3CCCO3)C(=O)O2)ccc1[N+](=O)[O-] 743280768 IMWDERBZIOFCCJ-SZLZGVTBSA-N 442.855 4.459 5 20 IIBD C[C@@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1nc(Cc2ccccc2)no1 744636298 AJWKESPNABVOGY-QGZVFWFLSA-N 439.471 4.433 5 20 IIBD COc1ccc(COC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1SC(F)(F)F 744745555 XHTZABNQEWFFEP-UHFFFAOYSA-N 441.387 4.308 5 20 IIBD CC(=O)NCc1ccc(-c2nc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])sc2C)s1 751079543 GXEACISAYOBHCT-UHFFFAOYSA-N 434.474 4.116 5 20 IIBD Cc1cc(CCC(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1Br 751717128 HFQATEPGOGUDRN-UHFFFAOYSA-N 446.257 4.392 5 20 IIBD CCCc1c(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cnn1C1CCCC1 751846792 XUIBCJFMLPGZQR-UHFFFAOYSA-N 434.880 4.308 5 20 IIBD CCO[C@@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C12CCCCC2 755011793 ALBXFBQOUGLHLA-LSDHHAIUSA-N 429.286 4.354 5 20 IIBD C[C@H]1CCN(c2ccc([N+](=O)[O-])c(N3CCS[C@@H](C)CC3)c2[N+](=O)[O-])CCS1 755055015 IYEIAOLESAPEDF-KBPBESRZSA-N 426.564 4.167 5 20 IIBD CCOc1cc(COC(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@H](C)CC)ccc1[N+](=O)[O-] 755550130 UVQJHGKOPBBFQU-IIBYNOLFSA-N 440.496 4.036 5 20 IIBD C[C@@H](OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)c1ccc(Br)cc1 758737163 LXUISSNJEOBNBY-LLVKDONJSA-N 431.242 4.196 5 20 IIBD Cc1ccc(-c2nnc([C@H](C)OC(=O)c3cc(O)nc4ccc([N+](=O)[O-])cc34)o2)cc1C 758951711 FHEYMUUSVLNJFB-ZDUSSCGKSA-N 434.408 4.433 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N2CCCCC[C@H]2C[C@@H](O)c2ccco2)c([N+](=O)[O-])c1 759248559 PRDUKDBCPKLTDK-FXAWDEMLSA-N 438.484 4.025 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCCCN1C(=O)c1cccs1 760483934 UOJYQTVARUUWSM-QGZVFWFLSA-N 441.465 4.049 5 20 IIBD CC[C@@H](C)n1ncc(C(=O)OC[C@@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])c1C1CC1 760988170 SWTROMOBWSGKMI-WBVHZDCISA-N 440.500 4.101 5 20 IIBD COc1cc(Cc2noc([C@@H]3CC(=O)N(c4c(C)cc(C)cc4C)C3)n2)ccc1[N+](=O)[O-] 762309834 VNORMCFLYHLYPW-QGZVFWFLSA-N 436.468 4.023 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2nnc(S)n2C(C)C)C1 764217513 BBPAZKQTPZHKFX-CYBMUJFWSA-N 435.575 4.188 5 20 IIBD Cc1cn(-c2ccccc2Cl)nc1C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 767064165 BFPSTYQXAVTYQB-UHFFFAOYSA-N 439.815 4.149 5 20 IIBD CCCN(C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)C1CCN(C(=O)OC(C)(C)C)CC1 769029339 VBTLSTCDYLGFNL-MRXNPFEDSA-N 434.537 4.477 5 20 IIBD C[C@@H]1C[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCN1C(=O)OC(C)(C)C 772376090 FXBLJFHFHGMGNQ-SJLPKXTDSA-N 434.537 4.005 5 20 IIBD O=C(NC[C@H]1CC1(Cl)Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 772473210 OAZCSVASDGOJAW-SECBINFHSA-N 446.337 4.056 5 20 IIBD Cc1cc2ncc(C(=O)O[C@H](c3ccc(Br)cc3)C(C)(C)[N+](=O)[O-])c(C)n2n1 774366653 KXKHEAJNQDJSCP-QGZVFWFLSA-N 447.289 4.062 5 20 IIBD CO[C@@H]1[C@@H](C)[C@H](NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1(C)C 775979472 WPTQZLFJIAGBNK-YXKWSERDSA-N 445.903 4.290 5 20 IIBD CC(C)[C@H]1CCCN1c1ccc(NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)cc1F 777837888 WQKSQJANBPERDD-LJQANCHMSA-N 449.504 4.015 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)Nc1ccc(SC(F)F)cc1 778888539 VSTBMTDBDOBIAF-UHFFFAOYSA-N 448.350 4.306 5 20 IIBD Cc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781258109 OJOJKRHYIIJCQL-CYBMUJFWSA-N 436.414 4.452 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)Nc2ccc3ccccc3c2)cc1[N+](=O)[O-] 782806879 BWFLLGNUKYBSHV-UHFFFAOYSA-N 428.242 4.396 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(Nc2ccc(Oc3ccc(Cl)nn3)cc2)s1 782951945 GBAGMUOOUNXTDN-UHFFFAOYSA-N 426.863 4.039 5 20 IIBD C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 783315530 IJTGWHIVGQGRCE-SNVBAGLBSA-N 440.681 4.169 5 20 IIBD O=C(OCC1CCN(c2cnccn2)CC1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 786534485 NIYYCESDVDYTAX-UHFFFAOYSA-N 448.479 4.037 5 20 IIBD C[C@H](OC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)C(=O)c1ccccc1C(F)(F)F 786785661 NUHHQDVAJYMXBD-LBPRGKRZSA-N 448.353 4.355 5 20 IIBD CC(C)(C)OC(=O)N1CCC(CC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 787606228 OZBZCYNCHCVVRI-UHFFFAOYSA-N 445.438 4.267 5 20 IIBD CCCn1c(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc2ccccc21 787870155 RYQUUVGRBQWLAS-AWEZNQCLSA-N 425.441 4.152 5 20 IIBD O=C(c1cnc(Br)c(Cl)c1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 790569534 UZKIBHVZTAWFCE-HNNXBMFYSA-N 428.695 4.294 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCCCC(=O)OCc1ccccc1 790933461 JBLCDDQWEIROAR-UHFFFAOYSA-N 449.301 4.309 5 20 IIBD CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 790959698 RDCDSUOXTMSPQV-UHFFFAOYSA-N 441.484 4.164 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)cc2)c(C)c1[N+](=O)[O-] 791202008 RRIPKWQYQVYCAF-QFBILLFUSA-N 437.327 4.112 5 20 IIBD O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791245820 FTHVYDGWWKWDOO-UHFFFAOYSA-N 440.637 4.117 5 20 IIBD CCOC(=O)c1cc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c(F)cc1C 791318703 XEVWZPNALMOWHB-UHFFFAOYSA-N 425.210 4.234 5 20 IIBD COCCC[C@@H](Cc1ccccc1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 792549377 BTGXBTPIAMGUCA-HNNXBMFYSA-N 439.281 4.264 5 20 IIBD COc1cc(-c2noc(-c3cc([N+](=O)[O-])ccc3N3CCCCC3)n2)cc(OC)c1OC 795759814 DHPDEPMOOHMQSM-UHFFFAOYSA-N 440.456 4.328 5 20 IIBD O=C(OC1CCC(N2CCCC2=O)CC1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 799680551 QMKLFZDIDXEVPG-UHFFFAOYSA-N 437.496 4.297 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](CSc2ccccc2)C1 802411442 OJRSPKJNANHZEY-QGZVFWFLSA-N 439.541 4.118 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)N(CC(F)F)c2cccc(Cl)c2)c(C)c1[N+](=O)[O-] 802754569 CGLPJFAEBZQHJF-UHFFFAOYSA-N 449.819 4.234 5 20 IIBD O=C(NC1CCCCC1)OC[C@H]1CCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 804878427 WXNBREZTHKVFCW-QGZVFWFLSA-N 431.514 4.473 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 808361523 SNQMWURVYAIQHQ-WGSAOQKQSA-N 448.564 4.110 5 20 IIBD CN(C(=O)C(C)(C)C)c1ccc(OS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cc1 809826844 SEHJBYZIXOZRRR-UHFFFAOYSA-N 444.868 4.164 5 20 IIBD O=C(N[C@@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1)c1cc2ccccc2o1 809919559 CBXSDAQHDQOLTR-CQSZACIVSA-N 442.859 4.421 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OC[C@@H]1CCN(c2ccccc2Cl)C1 811130736 NSYPVJHMXBQJKR-CQSZACIVSA-N 433.848 4.159 5 20 IIBD COc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811376849 VFADPWIDFVITPD-UHFFFAOYSA-N 433.631 4.359 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)CC2)C1 811944089 RPOLRNUSTJAUKQ-QGZVFWFLSA-N 442.516 4.185 5 20 IIBD COc1ccc(-c2nnc(SCC(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)o2)cc1 812209702 DXUINJSWBILWEV-UHFFFAOYSA-N 448.888 4.058 5 20 IIBD C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](C)c1ccc(N2CCCOC2=O)cc1 815635173 YHTRCUSBCSPZCR-HZPDHXFCSA-N 426.473 4.009 5 20 IIBD O=C(COC(=O)COc1c(Cl)cccc1Cl)Nc1ccc(Cl)c([N+](=O)[O-])c1 849201593 OLIQFLBAMWAZOP-UHFFFAOYSA-N 433.631 4.116 5 20 IIBD COc1ccc2cc(CN(C)C(=O)[C@H](C)OC(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc2c1 854576019 WKICFHGJBMPENV-INIZCTEOSA-N 436.464 4.269 5 20 IIBD CC(=O)Nc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)cc1 859477767 LEZMFXWBEFZPQI-UHFFFAOYSA-N 441.425 4.146 5 20 IIBD COc1ccc(C2=N/C(=C\c3c(C)nn(Cc4ccc(C)cc4)c3C)C(=O)O2)cc1[N+](=O)[O-] 920392388 QZVLFDYTROKGQZ-NDENLUEZSA-N 446.463 4.118 5 20 IIBD CSc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 920778589 LNVHPPKOCWSELJ-NEPJUHHUSA-N 438.889 4.308 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCCN(c3ncnc4sc([N+](=O)[O-])cc34)C2)CC1 1258134677 WPIVZIOKNLNZPH-UHFFFAOYSA-N 433.534 4.217 5 20 IIBD O=C(Nc1ccc2nc(CN3CCCCC3)[nH]c2c1)c1ccc([N+](=O)[O-])c2cccnc12 1319738866 ZJLRSXNMPQXVNA-UHFFFAOYSA-N 430.468 4.258 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 1321725586 KVAGLZPPDLGGSF-UHFFFAOYSA-N 426.473 4.182 5 20 IIBD O=[N+]([O-])c1ccccc1OCc1nnc(Cc2csc(Cc3ccc(F)cc3)n2)o1 1328230441 AXQPYRALTDGXEM-UHFFFAOYSA-N 426.429 4.334 5 20 IIBD O=C(NCCc1nc(Cc2ccccc2)no1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 1336781996 GZHAACRVFSRCBI-UHFFFAOYSA-N 443.463 4.285 5 20 IIBD COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ccco4)cc3)CCC2)c([N+](=O)[O-])c1 1787271322 LFWDAPNHLGBRHI-UHFFFAOYSA-N 449.463 4.187 5 20 IIBD C[C@@]1(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccc([N+](=O)[O-])o4)CCC3)cc2)CC1(F)F 1792241893 NAXDOZNGLUZBDF-JCOOBLOPSA-N 445.422 4.380 5 20 IIBD CC[C@@H](C)[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1 1792397465 MCZSKOKBAYIRGX-LNBCOLIQSA-N 439.512 4.270 5 20 IIBD CC(C)=CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CSc1ccccc1[N+](=O)[O-])C2 1799992814 SAISSPCNNPJYTI-BCDXTJNWSA-N 431.558 4.072 5 20 IIBD CCCCC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc([N+](=O)[O-])c(O)cc1C)C2 1801715642 GNUFQKSMOMZLRN-OWLYRPNTSA-N 431.533 4.077 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCCC2(CCN(C(=O)c3ccccc3C3CC3)CC2)C1 1804650002 MQOXREFTIPVQMI-UHFFFAOYSA-N 437.496 4.224 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc([C@@H]2CCCCN2C(=O)CCC2CCC2)[nH]n1 1814372965 IZFCLYAMPSNISV-FQEVSTJZSA-N 439.516 4.133 5 20 IIBD Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3)CC2)cc1[N+](=O)[O-] 1829873622 IUDRRDFNTPISIV-QHCPKHFHSA-N 449.551 4.379 5 20 IIBD CCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1831383851 DAXUQFTWOVCJHX-NRFANRHFSA-N 429.561 4.193 5 20 IIBD C/C(=C\c1cccs1)C(=O)N1CCCC12CN(C(=O)c1c(F)ccc([N+](=O)[O-])c1C)C2 1841038725 RWQPDOZDSRBZQZ-SDNWHVSQSA-N 443.500 4.024 5 20 IIBD Cc1ccc(S(=O)(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1C 14100287 OYGSYIHDFANSFA-UHFFFAOYSA-N 426.450 4.232 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 16597933 JOAAWJNUXUKHRD-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD CCCn1c(SCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)nnc1-c1cccc(C)c1 16813903 CNAYENRUCMATIZ-UHFFFAOYSA-N 437.525 4.253 5 20 IIBD O=C(COC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)Nc1ccc(F)cc1F 28612751 RUFALLNBUJAEIZ-UHFFFAOYSA-N 441.390 4.281 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1 29706132 DTSYAXSIVHDLIB-UHFFFAOYSA-N 441.875 4.251 5 20 IIBD CC(=O)c1cc2c(cc1NC(=O)c1ccc(N3CCC(C)CC3)c([N+](=O)[O-])c1)OCO2 36798643 YJLAUXZVDGMRPB-UHFFFAOYSA-N 425.441 4.015 5 20 IIBD COc1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c(OC)c1 63610867 ZVHKPMUJARXLGX-UHFFFAOYSA-N 435.480 4.197 5 20 IIBD COC(=O)c1ccc(OC(C)C)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 63622452 ZBQAHRHNMIHANQ-LBPRGKRZSA-N 436.848 4.228 5 20 IIBD O=C(c1ccc(O)cc1)C1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 65308551 NOYLTCKYBNNURS-UHFFFAOYSA-N 437.477 4.159 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC[C@@H](O)c1ccc2ccccc2c1 78775339 IAOVWEHGCZKMDP-HXUWFJFHSA-N 447.413 4.419 5 20 IIBD C[C@@H]1c2cccn2CCN1C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 105880913 DOYRBFKHIJKEPY-GOSISDBHSA-N 441.491 4.395 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 109006802 VSTBHHMPZDRASS-HOTGVXAUSA-N 437.562 4.181 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCC(c2cc3ccccc3[nH]2)CC1 109348307 HVJXSEIMCLNLQH-UHFFFAOYSA-N 448.479 4.170 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(OCc3cscn3)c2)ccc1Cl 110026223 CKGZNPOHDMIPOR-UHFFFAOYSA-N 425.875 4.085 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N2CCC(c3nc4ccccc4o3)CC2)c([N+](=O)[O-])c1 111220901 PDZYVAMFNBHHQJ-UHFFFAOYSA-N 431.452 4.085 5 20 IIBD COc1cccc(Oc2ncccc2CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 237525307 GFWHWBOQLDFYLK-UHFFFAOYSA-N 445.479 4.481 5 20 IIBD COc1ccc([C@H]2CCCN2C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1OC 248127238 GYDGSEGWYAHUKC-GOSISDBHSA-N 425.485 4.190 5 20 IIBD COc1cc(C(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)c([N+](=O)[O-])cc1OC(F)F 261440963 MHZRRQCSMVDVKT-AWEZNQCLSA-N 438.280 4.377 5 20 IIBD CCc1cc(N2CCC[C@@H](c3nnc4ccccn34)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 301110787 OCCVYXFRWSHXQE-QGZVFWFLSA-N 429.484 4.041 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NC[C@@H](O)c2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])c1 301303795 XAUYXYKMCKOQJE-QGZVFWFLSA-N 435.267 4.012 5 20 IIBD CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)COc1cccc([N+](=O)[O-])c1 302683261 CLFOIULODUNPIV-UHFFFAOYSA-N 430.848 4.114 5 20 IIBD COc1ccc(CSCC(=O)N(C)Cc2ccccc2N2CCCC2)cc1[N+](=O)[O-] 303540168 HSVPODPRYYWPEQ-UHFFFAOYSA-N 429.542 4.095 5 20 IIBD O=C(CCSCc1cccc(C(=O)N2CCCCC2)c1)Nc1ccccc1[N+](=O)[O-] 409845042 UJBJNABEGAGDQN-UHFFFAOYSA-N 427.526 4.483 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C)c(OC(C)C)c1 427616535 XINSZUHWKLBKMR-LJQANCHMSA-N 445.541 4.181 5 20 IIBD O=C(NCC(F)(F)F)[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 428487516 YWDUKYWMGSJIRD-NSHDSACASA-N 431.798 4.009 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CN[C@@H](c1cc(OC)c(OC)c(OC)c1)C(F)(F)F 430214705 FDPUXAFQKVWRNH-SFHVURJKSA-N 430.379 4.022 5 20 IIBD CCN([C@@H](c1cccnc1)c1ccc(F)cc1F)S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] 431909700 RIJCFNWOKUBHLE-NRFANRHFSA-N 447.463 4.377 5 20 IIBD COc1cc(CCNC(=O)N2CCCC[C@H]2c2ccc(F)cc2F)c([N+](=O)[O-])cc1OC 432566353 CCPOGEJGHGDUQB-SFHVURJKSA-N 449.454 4.370 5 20 IIBD Cc1ccccc1N1CCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CC1 435824228 CRIWKPOPNYUZGS-UHFFFAOYSA-N 433.458 4.230 5 20 IIBD COc1cc(C(=O)Nc2c(C)cccc2OC)c([N+](=O)[O-])cc1OCc1cscn1 436213854 ZAHQDRZTLAHQBM-UHFFFAOYSA-N 429.454 4.208 5 20 IIBD COc1cccc(C(C)(C)CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 441601465 JNXMZAWQFWQYCO-UHFFFAOYSA-N 427.501 4.134 5 20 IIBD O=C(NCc1cccc(COCC(F)(F)F)c1)c1ccc(Br)cc1[N+](=O)[O-] 441731015 RUORTMONYSZFIZ-UHFFFAOYSA-N 447.207 4.366 5 20 IIBD COc1ccc(NC(=O)C(=O)N(Cc2ccccc2)[C@H]2CCCC2(C)C)cc1[N+](=O)[O-] 442016089 XRGMLHANFMDHEN-FQEVSTJZSA-N 425.485 4.149 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CC(Cc2ccc(F)c(F)c2)C1 443670844 WRJXOYRFNAZDGS-UHFFFAOYSA-N 430.329 4.129 5 20 IIBD Cc1cc(=O)c(-c2nc(-c3ccc([N+](=O)[O-])s3)no2)nn1-c1cccc(C(F)(F)F)c1 445486364 LTZXDEZRPKXGQM-UHFFFAOYSA-N 449.370 4.246 5 20 IIBD O=C(Cc1noc(-c2cccc(OC3CCCCC3)c2)n1)NCc1ccc([N+](=O)[O-])cc1 445713172 ASSWGVGNXPDXFZ-UHFFFAOYSA-N 436.468 4.215 5 20 IIBD O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 445716356 PEIMAGFTJDQTNM-UHFFFAOYSA-N 429.904 4.064 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](c3cccc(Cl)c3)OC[C@@H]2C)cc1OC 446253054 NQGBMDYUIJMZED-RBZFPXEDSA-N 434.876 4.258 5 20 IIBD O=C(CCC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1cc(Cl)sc1Cl 446311341 IVNLFENEQFDOPP-JTQLQIEISA-N 443.312 4.034 5 20 IIBD COc1cc(C(=O)NCC(C)(C)c2ccccc2Br)cc([N+](=O)[O-])c1OC 448188777 JUXQNEKURKUFJS-UHFFFAOYSA-N 437.290 4.082 5 20 IIBD CCn1c(COc2ccc(OC)cc2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 460320786 ZCTQHDPKZSZRGR-UHFFFAOYSA-N 425.489 4.209 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccccc1OC)C[C@H]1CCCO1 462438052 RGJVSVMTTPXHBR-SIKLNZKXSA-N 426.513 4.380 5 20 IIBD COc1cc(CN2CCO[C@H](c3ccc(Br)cc3)C2)c([N+](=O)[O-])cc1F 463483282 NAQNEYPHBIDNFM-SFHVURJKSA-N 425.254 4.079 5 20 IIBD O=C(Nc1nnc(Cc2ccccc2F)s1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 463803533 YOKVNCXGSUJJBR-UHFFFAOYSA-N 426.351 4.447 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl 464204182 GOBKTJVPLBSTFS-QHCPKHFHSA-N 438.867 4.468 5 20 IIBD O=C(Nc1cccn(CC(F)(F)F)c1=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 465138612 LPZPYCUGOJVDPY-UHFFFAOYSA-N 433.342 4.363 5 20 IIBD CN(Cc1cccc(Br)c1OC[C@H]1CCCO1)C(=O)c1ccccc1[N+](=O)[O-] 468069896 ROAPWXPDRZEUJW-OAHLLOKOSA-N 449.301 4.187 5 20 IIBD COc1cc(S(=O)(=O)N2CCc3sccc3[C@@H]2c2cccs2)ccc1[N+](=O)[O-] 468966263 NDMUYUWNFSTNKC-GOSISDBHSA-N 436.536 4.063 5 20 IIBD Cc1ccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c(-c2nc(C3CC3)no2)c1 471658588 MUMDOMIXVVKSQD-UHFFFAOYSA-N 430.424 4.269 5 20 IIBD CO[C@H](C)c1nc(CN2CCCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)cs1 473508723 MBRILTQTWFIAIW-OAHLLOKOSA-N 427.530 4.019 5 20 IIBD C[C@@H]1CN(c2ccc(NC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)cn2)C[C@@H](C)O1 477170246 ULCHUWUXSYGQIN-HUUCEWRRSA-N 446.482 4.081 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc2c(c1)NC(=O)CO2 481770459 NOBFUIBKKDAYEG-CYBMUJFWSA-N 429.498 4.165 5 20 IIBD Cc1cc(-c2csc(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)n2)c(F)cc1F 482590202 HNRYVRPMAKQSTB-UHFFFAOYSA-N 442.407 4.138 5 20 IIBD O=[N+]([O-])c1ccc(NCc2nc3cc(Br)cnc3[nH]2)nc1-c1ccc(F)cc1 485403076 JCESZINSBFNKIH-UHFFFAOYSA-N 443.236 4.442 5 20 IIBD CSc1cccc(C(=O)NC[C@@H](C)Oc2ccccc2Br)c1[N+](=O)[O-] 486417304 OPRCFVMAUMFSSB-LLVKDONJSA-N 425.304 4.277 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCC(Oc3ccc(C)cc3)CC2)c(C)c([N+](=O)[O-])c1 486859256 YFMCSNKBXGRPHR-UHFFFAOYSA-N 427.457 4.074 5 20 IIBD COC(=O)c1cc(NC(=O)NC2(c3ccc(Br)cc3)CC2)c(C)c([N+](=O)[O-])c1 486869834 QQGAOHYJSWNSCU-UHFFFAOYSA-N 448.273 4.263 5 20 IIBD COc1cc(SC)ccc1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 487489294 VQTDMVOAJLZRDZ-UHFFFAOYSA-N 426.498 4.439 5 20 IIBD CCCCN(C(=O)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C)[C@H](C)c1ccccc1 487809627 YZNLURPBRALOBH-MRXNPFEDSA-N 441.484 4.018 5 20 IIBD O=c1c([N+](=O)[O-])cn(Cc2ncc(-c3ccc(Br)cc3)o2)c2ccccc12 487918268 LWPJKILWASKYCX-UHFFFAOYSA-N 426.226 4.376 5 20 IIBD CC[C@H](C)c1nc([C@H](C)NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)n[nH]1 489197915 XUTVUJCXPCTBAZ-QWRGUYRKSA-N 425.439 4.082 5 20 IIBD O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1cc([N+](=O)[O-])ccc1OC(F)F 489417725 GBJAFGQBGGWOFD-UHFFFAOYSA-N 426.788 4.042 5 20 IIBD CCOc1cccc(-c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)n2)c1 489503105 SWIKLFVSJACCKB-UHFFFAOYSA-N 448.479 4.144 5 20 IIBD CC(F)(F)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2I)cc1 490292383 XAJXKQFOLSJLQX-UHFFFAOYSA-N 446.191 4.241 5 20 IIBD CCOc1ccc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1Br 490496192 PESQDRPMHCYLHL-UHFFFAOYSA-N 431.246 4.194 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccccc2-c2n[nH]c(C(C)C)n2)cc1[N+](=O)[O-] 492593643 WVTDUXWKQNUATG-UHFFFAOYSA-N 441.513 4.384 5 20 IIBD C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)c2)C1 499192320 QJIRGEIVCPLYCE-HNAYVOBHSA-N 439.468 4.237 5 20 IIBD O=[N+]([O-])c1cccc2c1CCCN2S(=O)(=O)c1c(Cl)cc(F)cc1Br 503213059 SHSQDLCRDAAGQH-UHFFFAOYSA-N 449.685 4.291 5 20 IIBD COCCSc1ccc([C@H](C)NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1 504702971 LIBBHBJQMZSKLD-HNNXBMFYSA-N 426.498 4.010 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1ccc(F)cc1OCC(F)(F)F 505303908 CZMQYXJNVFMUBF-UHFFFAOYSA-N 428.747 4.129 5 20 IIBD COC(=O)CNC(=O)c1ccc(N[C@H](C)c2ccc(SC(C)C)cc2)c([N+](=O)[O-])c1 505590379 MIUIXOVRHAVOHX-CQSZACIVSA-N 431.514 4.171 5 20 IIBD Cc1ccc(NC(=O)C2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)nc1 508039830 JDNCOMSMJHIVPR-UHFFFAOYSA-N 437.525 4.272 5 20 IIBD COc1cc(CN2CC[C@@H](Nc3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F 512604015 BZNOZMXLNMYGQZ-MRXNPFEDSA-N 425.407 4.231 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)nn1-c1cccc(Br)c1 515071400 AZMGDDODAQIAOF-UHFFFAOYSA-N 431.246 4.112 5 20 IIBD CCCOc1cc(NC(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)c([N+](=O)[O-])cc1OCCC 515081588 LCQJQGCFYDJUIK-SJORKVTESA-N 434.537 4.263 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccc(OC(F)F)c(F)c3)cc2)c(C)c1[N+](=O)[O-] 515690388 SNMBQEBCSHMWGB-UHFFFAOYSA-N 434.374 4.449 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](CCc1ccccc1)c1ccccc1 516440940 PJJXTFVTLKYPTR-HXUWFJFHSA-N 433.464 4.032 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)c2ccsc2)cccc1[N+](=O)[O-] 516742100 FIZSDQCWHKGFON-GOSISDBHSA-N 429.885 4.462 5 20 IIBD CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 517659682 RCFHDVGRTOQZLG-UHFFFAOYSA-N 436.468 4.199 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1N1CCCCC1)c1cccc([N+](=O)[O-])c1 518136124 SIKQYOBNVNSKJP-AWEZNQCLSA-N 430.892 4.054 5 20 IIBD COc1cc(OCC(=O)NCCSCc2cccc3ccccc23)ccc1[N+](=O)[O-] 519992002 DHMXUOGSBABOKT-UHFFFAOYSA-N 426.494 4.185 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC(c2nc3ccccc3s2)CC1 520691268 ITPHUBNTUQDNDM-UHFFFAOYSA-N 433.493 4.410 5 20 IIBD C[C@H]1CCCN(Cc2ccccc2CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 520867706 JTVXIQGGDNTRTN-SFHVURJKSA-N 447.539 4.403 5 20 IIBD COCCN([C@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 521155461 ABEFRHYUBWNMCO-CYBMUJFWSA-N 432.420 4.012 5 20 IIBD CCN(CC)CCNC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 522402494 WNQATHAOOYUMMV-UHFFFAOYSA-N 425.407 4.478 5 20 IIBD COCCOc1ccc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1Cl 522640947 HFVSRKDLUANGOK-UHFFFAOYSA-N 429.256 4.334 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1cc(F)cc2c1OCOC2 523997194 OZOWURKXPUGEFR-UHFFFAOYSA-N 446.378 4.028 5 20 IIBD O=C(N[C@H]1C[C@@H]1C1CCCCC1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 525600260 OTUJGBQUJNDXCL-RTWAWAEBSA-N 443.525 4.094 5 20 IIBD Cc1ccc(Nc2nc(CN3CCN(C(=O)c4ccc([N+](=O)[O-])s4)CC3)cs2)cc1 532470742 PGKSDWWXDXGENC-UHFFFAOYSA-N 443.554 4.123 5 20 IIBD CN(C)c1cccc(CNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)n1 533708063 MUCFPFCSULUGRM-UHFFFAOYSA-N 439.903 4.251 5 20 IIBD Cc1cccn2cc(COc3ccc(C(=O)NCCc4cccc([N+](=O)[O-])c4)cc3)nc12 533995522 WGJLFRGIXODIRF-UHFFFAOYSA-N 430.464 4.102 5 20 IIBD CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 537485517 CZAACMJJEJZWIP-CBQGHPETSA-N 435.524 4.167 5 20 IIBD CCN(C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@H](C)c1cccc(C(F)(F)F)c1 541097201 QNEXUYPLDNXTKS-CQSZACIVSA-N 437.418 4.262 5 20 IIBD CSc1c(F)cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)cc1F 542232703 ZDYIAUKBYAWAOU-UHFFFAOYSA-N 439.259 4.158 5 20 IIBD O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(c2nc3cc(Cl)ccc3s2)CC1 544069730 NNJJLDPYMUPMLM-MRXNPFEDSA-N 447.944 4.477 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(-c3ccc(Cn4cncn4)c(F)c3)no2)cc(C(F)(F)F)c1 547070626 QKGVFOSEHZMKRM-UHFFFAOYSA-N 434.309 4.110 5 20 IIBD CC(=O)Nc1ccc(/C=C/c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)cc1 547169821 LBDGNVJDWJTYEH-RUDMXATFSA-N 443.257 4.460 5 20 IIBD COc1ccc(OC)c(CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(C)(C)C)c1 554950645 UICWSIZXOPRDMO-UHFFFAOYSA-N 425.485 4.463 5 20 IIBD CC(C)C[C@@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)c1cccs1 556512593 JXYHILMPDAMPCX-CQSZACIVSA-N 440.319 4.261 5 20 IIBD COc1cc(OCC(=O)N[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)ccc1[N+](=O)[O-] 557504621 YXAJFAFTJBSAOG-IBGZPJMESA-N 440.374 4.148 5 20 IIBD NC(=O)C[C@H](NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 559340917 KDTYIZONLHTQOI-QHCPKHFHSA-N 441.491 4.154 5 20 IIBD CC(C)(C)Oc1ccc(CNCc2cc(I)cc([N+](=O)[O-])c2)cn1 567033792 CNASTVPKRSFCMP-UHFFFAOYSA-N 441.269 4.062 5 20 IIBD CN(C(=O)Cc1csc(-c2cccc(Br)c2)n1)c1ccc([N+](=O)[O-])nc1 571003207 WSWAIZOPNMRHIK-UHFFFAOYSA-N 433.287 4.081 5 20 IIBD Cc1cc(C(=O)N(Cc2ccccc2Br)C2CCN(C)CC2)cc([N+](=O)[O-])c1 572451572 ZSHHHMQVWLIVCM-UHFFFAOYSA-N 446.345 4.402 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2Cl)cc1[N+](=O)[O-] 575008462 LKVGAHVVMNZQDR-LRDDRELGSA-N 433.867 4.296 5 20 IIBD COCC1(c2noc(-c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)n2)CCCCC1 576911143 IHGWATXLFCWZIF-UHFFFAOYSA-N 425.489 4.355 5 20 IIBD CCc1ccc(C(=O)NCc2cccc(-c3nc(CC(F)(F)F)no3)c2)cc1[N+](=O)[O-] 577804361 CWBAXCLOQBLANE-UHFFFAOYSA-N 434.374 4.242 5 20 IIBD C[C@H](C(=O)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1)c1cccc([N+](=O)[O-])c1 579459870 JTAXYPOAKYLPGW-KRWDZBQOSA-N 429.476 4.469 5 20 IIBD CC(=O)Nc1cc(S(=O)(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)ccc1C 580917945 MXVHJBILCXDULL-UHFFFAOYSA-N 441.465 4.455 5 20 IIBD Cc1ccc(C(C)(C)CNC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c(C)c1 582861157 VPBUJFHXRLZAJN-UHFFFAOYSA-N 448.317 4.007 5 20 IIBD COc1cc(Cc2noc(-c3scc(C)c3Br)n2)c([N+](=O)[O-])c(OC)c1 589151503 GMHWJNJUTUVBSG-UHFFFAOYSA-N 440.275 4.385 5 20 IIBD CCOC(=O)c1sc(N(C(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)nc1C 603739005 QHGOLYZOWUTZRP-UHFFFAOYSA-N 425.466 4.444 5 20 IIBD Cc1cc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc(C)c1OCc1cccnc1 603760965 IZVQKLVGFXXYNX-UHFFFAOYSA-N 446.507 4.148 5 20 IIBD Cc1nc(NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)sc1Cc1ccccc1 603816831 HDKQQAWRCLCMOF-UHFFFAOYSA-N 434.481 4.092 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@H]3CCN4CCC[C@H]4C3)c([N+](=O)[O-])c2)c(C)c1 603864970 SXORLLIJIFJUFF-ROUUACIJSA-N 444.557 4.051 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)c1C 609657999 CRWMNNWRGMUDDE-GDLZYMKVSA-N 444.534 4.320 5 20 IIBD C[C@H](SCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(=O)Nc1ccc(Cl)cc1 609770882 SCZGGQLSSGGWBI-LBPRGKRZSA-N 435.889 4.307 5 20 IIBD CN(C)C(=O)C1(CNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CCCC1 609773370 YLLDDMITIQWUSG-UHFFFAOYSA-N 426.473 4.157 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c(OCCN(C)C)c1 609979319 AYIDMGYGZRDYDU-UHFFFAOYSA-N 440.544 4.332 5 20 IIBD O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CCO[C@H](C(F)(F)F)C1 610067508 MVPJXXGCHIWRMM-KRWDZBQOSA-N 443.809 4.264 5 20 IIBD O=C(Nc1ccc(NC[C@H]2CCCO2)c(F)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 610076022 YNNSHWAOULWLEK-GOSISDBHSA-N 442.491 4.180 5 20 IIBD CC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1)c1cccc([N+](=O)[O-])c1 610556070 BTHZMUZBBWBLAU-SFTDATJTSA-N 433.464 4.022 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] 725946313 QWTUIVGTISUDEM-QWRGUYRKSA-N 441.267 4.333 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)OCCOc2cccc3ccccc23)ccc1[N+](=O)[O-] 726673305 AASJOIAGPTVQCT-QFIPXVFZSA-N 448.475 4.283 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 727710301 OJOFWQPLYZYROA-SNVBAGLBSA-N 438.665 4.002 5 20 IIBD Cc1ncsc1COC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 727770881 MTIFJDDQIAARNL-UHFFFAOYSA-N 425.466 4.014 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H](OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 727959032 BFKMAAJCKSCVLE-KRWDZBQOSA-N 436.508 4.097 5 20 IIBD C[C@H](OC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 729779919 SCNDZDJUMMXLQL-INIZCTEOSA-N 447.447 4.055 5 20 IIBD CC(=O)Nc1cc(S(=O)(=O)Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])ccc1C 736330094 RYHWCMKYFZNZIO-UHFFFAOYSA-N 426.450 4.296 5 20 IIBD C[C@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@@H]1NC(=O)OC(C)(C)C 740829287 KPPPNMBNOACPBH-BBRMVZONSA-N 446.529 4.094 5 20 IIBD Cc1nn(Cc2ccc(C(=O)O[C@@H](C)C(=O)c3ccc4c(c3)CCC4)cc2)c(C)c1[N+](=O)[O-] 742412066 YFBDQPMUQPVHPM-KRWDZBQOSA-N 447.491 4.373 5 20 IIBD CC(C)(C)OC(=O)NC1CCC(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 742696171 PTVGRAKYNFLBFD-UHFFFAOYSA-N 431.411 4.179 5 20 IIBD O=C(OCc1cc(Cl)ccc1Cl)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 744644880 LWMJPVQCEJYICA-JTQLQIEISA-N 427.215 4.137 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)OCc1ncc(-c2cccc(Br)c2)o1 744694642 SEHAYINDGFLQOP-UHFFFAOYSA-N 433.214 4.135 5 20 IIBD CC(C)n1cc(Br)cc1C(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 745459549 CXEDRVKKFVQMGU-UHFFFAOYSA-N 444.669 4.189 5 20 IIBD C[C@H](Cc1ccncc1)NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 749493266 ZDRHBVYBMCFZGF-CQSZACIVSA-N 438.871 4.257 5 20 IIBD C[C@@H]1CCCCN1CCCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 749568561 NMOAFIDNPJNUNX-GFCCVEGCSA-N 432.746 4.395 5 20 IIBD Cc1ccc(F)cc1NC(=O)[C@@H](C)OC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 751634348 JSHNEOMYJCBIPH-LLVKDONJSA-N 426.853 4.358 5 20 IIBD O=C(OC1CCN(c2nncc3ccccc23)CC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 751856086 BKLLORFZSQSNPU-UHFFFAOYSA-N 446.385 4.383 5 20 IIBD CCNc1ccc(C(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)cc1[N+](=O)[O-] 755694610 NMHOBAMNMJCSEC-UHFFFAOYSA-N 428.489 4.346 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cc(F)c(C(F)(F)F)c(F)c1 758857553 ZXVQUPXOLHDKKI-UHFFFAOYSA-N 429.257 4.299 5 20 IIBD CC(C)(C)[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1F 759061558 QPXDZMOCBYSJSE-INIZCTEOSA-N 425.819 4.369 5 20 IIBD Cc1cc(-c2noc([C@H](C)NC(=O)c3ccc(Br)c([N+](=O)[O-])c3)n2)ccc1F 760822773 DANKBNSBGSGMHS-JTQLQIEISA-N 449.236 4.346 5 20 IIBD CC(=O)N(Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)cc1)C(C)C 761899018 TUUNCWGWFKTDET-UHFFFAOYSA-N 439.921 4.114 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2cccc(N3CCOC3=O)c2)no1 762197233 ZCRBOPYCIOXBKX-NSHDSACASA-N 430.804 4.395 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CCCCC[C@H]2C[C@H](O)c2ccccc2)cc([N+](=O)[O-])c1 764391925 LXUUNPYLBIPWBH-UNMCSNQZSA-N 440.496 4.280 5 20 IIBD Cc1nn(CN2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c2ccc([N+](=O)[O-])cc12 764961593 DFPSYJQSHOXQDC-MRXNPFEDSA-N 436.447 4.279 5 20 IIBD CN(C(=O)C(C)(C)C)c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 765201791 CKLFFUHAMAHCNQ-UHFFFAOYSA-N 426.878 4.025 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3ccnn3C3CCCC3)CC2)ccc1[N+](=O)[O-] 766376647 XQPRLAMJTIPQLX-UHFFFAOYSA-N 428.489 4.131 5 20 IIBD CCCN(Cc1cc(OC)c(F)cc1[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 766798030 GILGPHAJGWXFPV-UHFFFAOYSA-N 425.501 4.354 5 20 IIBD COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1NC(=O)OC(C)(C)C 767449738 KWVUZZOQXKAGIW-UHFFFAOYSA-N 443.503 4.121 5 20 IIBD CC[C@H](OC(=O)c1cc(Br)ncc1[N+](=O)[O-])C(=O)c1ccc(Cl)cc1 769835136 UZENWPWBRRGKAH-ZDUSSCGKSA-N 427.638 4.224 5 20 IIBD Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C 770280436 JCIOFJARBVCFLH-UHFFFAOYSA-N 427.526 4.270 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1Br 770324356 JHDQXBYRMVFCJC-UHFFFAOYSA-N 445.023 4.280 5 20 IIBD CC(C)c1cc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nn1-c1ccccc1 772367995 YTGBSQFOGLLJAL-UHFFFAOYSA-N 442.859 4.353 5 20 IIBD COc1cccc(C(=O)OC[C@@H]2CCC(=O)N(C)[C@H]2c2cccc(Cl)c2)c1[N+](=O)[O-] 774114499 ATLMPOLXZOMTHC-LIRRHRJNSA-N 432.860 4.023 5 20 IIBD CN(C(=O)c1cc(N2CCOC2=O)ccc1F)c1nc(-c2ccccc2[N+](=O)[O-])cs1 775496871 WXCKXKGBWNIYAG-UHFFFAOYSA-N 442.428 4.091 5 20 IIBD CSc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2OC(F)F)c1[N+](=O)[O-] 777073559 JJOVONBAQCLFCK-JTQLQIEISA-N 426.397 4.102 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Oc1cccc(Oc2cccnc2)c1 777340204 IDTDGGYRTRSCAG-UHFFFAOYSA-N 435.392 4.076 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 779018915 MWTFOQDZZUXOLO-LSDHHAIUSA-N 437.562 4.471 5 20 IIBD O=C(COC(=O)c1cccc([N+](=O)[O-])c1Br)Nc1ccccc1C(F)(F)F 781673359 LHYYZLHSCFYUQR-UHFFFAOYSA-N 447.163 4.172 5 20 IIBD O=C(N[C@H]1CCCC2(C1)OCCO2)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 782856942 JXQREBNOSCTVQJ-KRWDZBQOSA-N 445.903 4.276 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1 784148552 ZGDVUPOWJALILX-GOSISDBHSA-N 428.432 4.224 5 20 IIBD Cc1ccc(NC(=O)COC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c(Br)c1 785955700 WWIMERCFOJBCIN-UHFFFAOYSA-N 441.665 4.044 5 20 IIBD COc1cc(COC(=O)c2nc(Br)ccc2C)c([N+](=O)[O-])cc1OC(F)F 786385924 TXFIHEPZEWCWSF-UHFFFAOYSA-N 447.188 4.028 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)c1cnc(O)c2ccccc12)c1cccc([N+](=O)[O-])c1 786795442 MFAHBEWMPOYUGK-QGZVFWFLSA-N 449.463 4.090 5 20 IIBD Cn1ccnc1[C@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 787293515 AYRMYKJNAXHMSH-QGZVFWFLSA-N 435.362 4.135 5 20 IIBD COc1cc(C(=O)NN2CCC(C(C)(C)C)CC2)c([N+](=O)[O-])cc1OCc1cscn1 788172631 KZJZNCSACDPQBI-UHFFFAOYSA-N 448.545 4.042 5 20 IIBD CCC(O)(CC)CCNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 788571758 QBWBMGQRBSXADH-UHFFFAOYSA-N 433.892 4.172 5 20 IIBD C[C@H](OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(=O)c1ccccc1C(F)(F)F 789078914 NBMHAGQJCZIGAO-LBPRGKRZSA-N 433.342 4.228 5 20 IIBD CC(C)c1ccc(C(=O)COC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 789860510 HYTCGMSFBMNWIV-UHFFFAOYSA-N 440.481 4.038 5 20 IIBD O=C(COc1cc(F)c(Br)cc1[N+](=O)[O-])Nc1ccccc1Br 790295557 KOXXGSOYRAMKGA-UHFFFAOYSA-N 448.042 4.276 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC1CCN(c2nc3ccccc3s2)CC1 790548624 XLDSPNHCOPMORB-UHFFFAOYSA-N 448.907 4.325 5 20 IIBD O=C(Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2)c1cc([N+](=O)[O-])ccc1Cl 791223480 IHZAAVXCXLUCSL-UHFFFAOYSA-N 427.816 4.204 5 20 IIBD Cc1ccc([C@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c2ccccn2)cc1 795965529 XUVBQFUDJHFGTH-IBGZPJMESA-N 435.864 4.159 5 20 IIBD O=C(N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 798022555 UXZOLWSTVZWTQW-JCNLHEQBSA-N 449.429 4.126 5 20 IIBD O=C(N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 798032973 DYNSLZUKWFWQKB-JCNLHEQBSA-N 449.429 4.126 5 20 IIBD O=C(c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O)N1CCCCC[C@H]1c1ccncc1 798280088 JLMRPMKBGJWCDM-INIZCTEOSA-N 441.875 4.292 5 20 IIBD COC(=O)[C@@H](OC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccccc1C(F)(F)F 800468376 AIHALXQJYAAZFU-HWPZZCPQSA-N 429.322 4.314 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3C[C@H](C)CCN3C(=O)OC(C)(C)C)n2)c1 809476259 KIIKNRUMNOEAFC-DYVFJYSZSA-N 432.477 4.285 5 20 IIBD COc1ccc(OC)c(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 811373720 LFXLAAZUNAYPNV-SECBINFHSA-N 443.239 4.103 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 811550119 GRJSGYWIJJPSPS-HDJSIYSDSA-N 425.913 4.309 5 20 IIBD O=C1C[C@H](c2cccc(Cl)c2)CN1CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 812284654 IGTPRFGIJLBNKR-KRWDZBQOSA-N 429.904 4.065 5 20 IIBD CC(C)(CCc1noc([C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)n1)[N+](=O)[O-] 812815813 ACKNPVJARLHQDD-CYBMUJFWSA-N 441.315 4.384 5 20 IIBD COc1ccccc1[C@H](CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)NC(=O)OC(C)(C)C 815561419 GQQXXTGASBLIJG-KDOFPFPSSA-N 430.505 4.102 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)c1 816850072 OAXWSQAFKQRAJZ-KRWDZBQOSA-N 447.532 4.111 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC12CCC2 816856561 JOVQZAHRYTZLAL-QGZVFWFLSA-N 431.533 4.311 5 20 IIBD CCN(CC)C(=O)COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2Cl)cc1Cl 816859819 MRGAFFSYGBZNJV-UHFFFAOYSA-N 440.283 4.401 5 20 IIBD CC[C@@H](C)NC(=O)[C@H](C)OC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 854987952 NEYWSEIOXJGDOK-KGLIPLIRSA-N 433.892 4.320 5 20 IIBD CC(C)(C)OC(=O)[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccccc1 888039257 TXKMDQRZXORHPD-INIZCTEOSA-N 435.274 4.170 5 20 IIBD Cc1ccc(-n2ncc(C(=O)O[C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c2C)cc1 900653735 ONVALRZRNXZGGR-HNNXBMFYSA-N 433.424 4.365 5 20 IIBD O=C(Oc1cccc([N+](=O)[O-])c1)c1cccc(NC(=O)c2ccc(Br)o2)c1 916031898 KAVRGVRMVIMSGQ-UHFFFAOYSA-N 431.198 4.422 5 20 IIBD CCOC(=O)Nc1cccc(OC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 916163720 NMACCEGKDGXSMT-UHFFFAOYSA-N 428.319 4.324 5 20 IIBD CN1CCC(N(C)c2ccc(NC(=O)c3ccc(Br)c([N+](=O)[O-])c3)cc2)CC1 917793816 YXXJRTNLNYUZCC-UHFFFAOYSA-N 447.333 4.140 5 20 IIBD C[C@H](c1ccc(Cl)cc1)N(C)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 918974628 AFFYRZBPCOMOHO-OAHLLOKOSA-N 445.903 4.225 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OC1CCCC1 919449511 UVLPOHZMMKOCBX-OAHLLOKOSA-N 442.468 4.417 5 20 IIBD C[C@@H](OC(=O)CCOc1cc(Cl)ccc1Cl)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 1318016120 NXULTWBJBWVXBU-SNVBAGLBSA-N 445.230 4.380 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 1318199425 KUAAITYRASEJTC-UHFFFAOYSA-N 439.516 4.093 5 20 IIBD Cc1cc(N2C[C@@H](c3nnc(-c4cccc([N+](=O)[O-])c4)o3)CC2=O)ccc1Br 1329060546 HVXJCSIUSKJOQW-ZDUSSCGKSA-N 443.257 4.236 5 20 IIBD CCOc1cc(NC(=O)NCCc2coc(-c3ccccc3)n2)c([N+](=O)[O-])cc1OCC 1338327326 CLWABLPAMRTHKW-UHFFFAOYSA-N 440.456 4.411 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1)c1ccc2[nH]ccc2n1 1785750659 LYRQIEFFLGMXNX-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD C[C@H](Cc1ccco1)C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1 1791911386 WDIKBSGRGONWHQ-OAHLLOKOSA-N 436.468 4.142 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)cc1 1799675809 AGGDUFJTNGLKAL-ACDBMABISA-N 441.915 4.133 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(F)c1Cl)c1ccc([N+](=O)[O-])cc1F 1800457008 WMVJMVBTXRCBKY-CLLJXQQHSA-N 449.841 4.092 5 20 IIBD Cc1cc(CCCC(=O)N2CCCC3(CCN(C(=O)C(C)C)CC3)C2)c([N+](=O)[O-])cc1F 1805821604 XUJPAAUMRCECFQ-UHFFFAOYSA-N 447.551 4.252 5 20 IIBD O=C(CCC1CCC1)N1CCC2(CCCN(C(=O)Cc3cc([N+](=O)[O-])ccc3F)C2)CC1 1806655881 OUPLEXSCCZDSEL-UHFFFAOYSA-N 445.535 4.088 5 20 IIBD O=C(CC1CCCC1)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)[nH]n1 1816690227 RSGOEVWKFUUGOY-IBGZPJMESA-N 443.479 4.343 5 20 IIBD O=C(CCc1ccccc1)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823611997 QFMIBZNDZOXRSD-HXUWFJFHSA-N 439.512 4.054 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1ccc([N+](=O)[O-])o1 3502760 AECZOYAYLCYQFV-QGZVFWFLSA-N 445.771 4.286 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1C 9459181 KHLIOZRTLMXCQI-LLVKDONJSA-N 447.904 4.172 5 20 IIBD CNc1ccc(C(=O)O[C@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)cc1[N+](=O)[O-] 9924145 VDKQHBYYZUKBPW-QFIPXVFZSA-N 449.463 4.490 5 20 IIBD Cc1ccc(C)c(NC(=O)Cc2nc(COC(=O)c3ccc([N+](=O)[O-])cc3)cs2)c1 10647162 ZNEBHSRWOBKIPG-UHFFFAOYSA-N 425.466 4.206 5 20 IIBD COc1cc(OC)c(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1Cl 10962170 BHINVDJWCBJQOH-UHFFFAOYSA-N 432.763 4.128 5 20 IIBD COc1ccc(CCNC(=O)COc2ccc([N+](=O)[O-])cc2-c2cccs2)cc1OC 16324932 OBWDPLLZOJXIDJ-UHFFFAOYSA-N 442.493 4.078 5 20 IIBD Cc1ccc([C@H](NC(=O)COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c2cccs2)cc1 17526838 MHOFUAHTIDNMAV-NWMLYGLHSA-N 436.489 4.427 5 20 IIBD COCc1c(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)sc2cccc(F)c12 17937475 KRXWCYIRHDCBRR-NSHDSACASA-N 432.429 4.279 5 20 IIBD O=C(OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1csc(-c2cccc(Cl)c2)n1 26847347 BWBQKGKKLKHZHN-UHFFFAOYSA-N 443.868 4.118 5 20 IIBD Cc1cccc(Oc2ncccc2NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c1C 59576496 MIZSPTRYKRYSLS-UHFFFAOYSA-N 430.424 4.232 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 60302758 CVJOWIKYPSXUCB-UHFFFAOYSA-N 448.310 4.421 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@H](C)C2)cc([N+](=O)[O-])c1C 60487690 GQJHNPJGTLPNGN-GJZGRUSLSA-N 445.541 4.131 5 20 IIBD O=C(Nc1cc(-c2ccoc2)nn1-c1ccccc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 65064807 CZWROPNZEFYZCI-UHFFFAOYSA-N 440.419 4.479 5 20 IIBD CC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl 69525105 MIGNMBGUSLWKDL-UHFFFAOYSA-N 446.312 4.231 5 20 IIBD CN(Cc1ccccc1N1CCOCC1)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] 105134083 OQLDAEFKWAUSMX-UHFFFAOYSA-N 431.492 4.299 5 20 IIBD Cc1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1Br 110315665 ZQKXNCGTUKYKCS-GOSISDBHSA-N 446.301 4.217 5 20 IIBD O=C(NCc1ccccc1OCCN1CCOCC1)c1cc2ccccc2c2cccnc12 195723229 ACQDFCSZDUSSNQ-UHFFFAOYSA-N 441.531 4.029 5 20 IIBD COc1ccc(-c2ccc(CN[C@@H](Cc3ccccc3)C(=O)N3CCCC3)o2)c([N+](=O)[O-])c1 237424154 NIEDMUNYSCHTCB-QFIPXVFZSA-N 449.507 4.187 5 20 IIBD Cn1cc(CNCc2ccc(OCc3ccccn3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 237777650 WDPPGWYNMSHFNJ-UHFFFAOYSA-N 429.480 4.259 5 20 IIBD Cc1ccc(CNC(=O)C2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)cc1 301486926 YCKNRXHPVZLNHY-UHFFFAOYSA-N 432.318 4.199 5 20 IIBD O=C(CCc1ccccc1)N1CCCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 301537869 BEBUKWCKCZFXBU-UHFFFAOYSA-N 432.318 4.029 5 20 IIBD CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCc1cc(C)nc2ccccc12 303544881 KPQJDWJZLMDVRF-UHFFFAOYSA-N 432.436 4.393 5 20 IIBD CCCS(=O)(=O)Nc1cccc(NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1C 429069815 KVJOQKXCYFYLJJ-HNNXBMFYSA-N 434.518 4.246 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N[C@H](CO)CC(F)F 430524637 LWJCTOSFLAGYMY-MZLJFPOFSA-N 447.463 4.268 5 20 IIBD O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 431520138 OATDVBZGDLYGHE-UHFFFAOYSA-N 427.416 4.072 5 20 IIBD C[C@H]1CC[S@@](=O)CCN1C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 432448349 NVMIXJOAGDMACV-CFJPQMKISA-N 438.958 4.383 5 20 IIBD O=[N+]([O-])c1ccc2oc(CSc3nnc(N4CCCCC4)n3Cc3ccco3)nc2c1 434800396 AJEAMNGQFPGUJX-UHFFFAOYSA-N 440.485 4.251 5 20 IIBD O=[N+]([O-])c1cc(/C=C/c2nc(O)c3cnn(-c4cccc(Br)c4)c3n2)cs1 434938172 NKQAXRWSSGMGES-SNAWJCMRSA-N 444.270 4.424 5 20 IIBD CC(C)(C)c1nc2cc(NC(=O)C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)ccc2o1 437038083 OTDQFIQHMOADPW-UHFFFAOYSA-N 436.468 4.163 5 20 IIBD COc1cc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)ccc1OCc1cscn1 437489394 HDHRQHNWBYLBNR-UHFFFAOYSA-N 439.493 4.444 5 20 IIBD CN1CCC2(CC1)C[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1O2 437920323 PUZHAKZAXBIKDP-SFHVURJKSA-N 449.429 4.332 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1cc(F)c(Br)cc1Cl 439645725 VKNOMTYSJXDMTD-UHFFFAOYSA-N 442.632 4.348 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)Nc1cccc(CSC2CCOCC2)c1 440899513 HNTPPOYTLNROGG-UHFFFAOYSA-N 443.525 4.201 5 20 IIBD COc1ccccc1[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1Cl 441961953 CJBHUEJSOOOURF-FQEVSTJZSA-N 439.855 4.101 5 20 IIBD O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444323147 BCQQPHVOHWLDCW-OYLFLEFRSA-N 434.442 4.467 5 20 IIBD CCS(=O)(=O)c1ccc(-c2noc(-c3csc(-c4ccc([N+](=O)[O-])cc4)n3)n2)cc1 445592821 NHGJQTKXPKPMPZ-UHFFFAOYSA-N 442.478 4.229 5 20 IIBD C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 446578784 WXXOYBUUZPMXJZ-CYBMUJFWSA-N 431.286 4.151 5 20 IIBD O=C(CN1CCCCCC1)Nc1ccc(N[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 447587433 RCYFBJXBUFOXTC-NHCUHLMSSA-N 440.548 4.202 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)N2CCSC(C)(C)CC2)cc1[N+](=O)[O-] 447638952 HPBFRFRSQIYSCJ-UHFFFAOYSA-N 441.553 4.250 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(N3CCc4ccc(Cl)cc4C3)n2C[C@@H]2CCCO2)cc1 461123587 AJOFLSWMYMRAED-FQEVSTJZSA-N 439.903 4.248 5 20 IIBD COc1cccc([C@@H]2CCCN2S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 462467284 ZKLPHTZGCYCKKL-HNNXBMFYSA-N 431.297 4.436 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1 462593672 LUFYKYDVFQDUBU-UHFFFAOYSA-N 431.297 4.134 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@](CO)(c3ccccc3)C2)c([N+](=O)[O-])c1 463427549 CIBRDUPBDOSMCV-RSXGOPAZSA-N 445.519 4.219 5 20 IIBD CC(C)(C)Oc1c(F)cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1F 463783948 RJLHEHHEGLIKBB-UHFFFAOYSA-N 437.424 4.399 5 20 IIBD Cc1ccc(CCN(CC(F)(F)F)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1 463922268 CSDFJIQCZLVVBD-UHFFFAOYSA-N 432.402 4.336 5 20 IIBD COc1cc(CNC(=O)NCCc2ccccc2[N+](=O)[O-])ccc1OCc1ccccc1 465584192 ZUTQUDKJXBHHEZ-UHFFFAOYSA-N 435.480 4.224 5 20 IIBD CC(C)COC[C@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccco1 465820019 UCNKCXXFOUZEQH-FQEVSTJZSA-N 431.489 4.155 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 467230392 NJJFTMMUHSOSNX-AWEZNQCLSA-N 444.797 4.025 5 20 IIBD CSC[C@@](C)(O)CNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 467792021 ZHHABVIZEBKBME-SFHVURJKSA-N 426.947 4.243 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2cccc(OC(F)(F)F)c2)cc1SC 470716220 AETRMHGQBQKEHY-UHFFFAOYSA-N 430.404 4.496 5 20 IIBD CN(C)C(=O)Nc1cccc(CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 475235345 OWEFVRFBFYVPDW-UHFFFAOYSA-N 425.367 4.029 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@](C)(CC(C)C)c1cccc(Br)c1 477991057 LCCNKARNOOYJCG-LJQANCHMSA-N 437.338 4.330 5 20 IIBD C[C@H]1CN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C[C@]2(CCOC2)O1 478414098 UAKCWBOKYUAARG-QKKBWIMNSA-N 448.928 4.419 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)cc1[N+](=O)[O-])c1ccccn1 478974013 XLDIXURHDYFDQA-CQSZACIVSA-N 446.467 4.393 5 20 IIBD CC(=O)Nc1sc(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)nc1-c1ccccc1 479365839 YQTMNAXWGRCSMO-UHFFFAOYSA-N 449.448 4.183 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 479562443 KTIODLVZAGDPHX-ZDUSSCGKSA-N 425.411 4.375 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1[N+](=O)[O-])c1ccccn1 482043765 GTXCNJLRHDJMCT-SFHVURJKSA-N 437.544 4.253 5 20 IIBD C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 484978504 HAEPSCQPNNGMDN-IFXJQAMLSA-N 449.429 4.343 5 20 IIBD CCN(C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[C@@H](C)Cc1ccccc1C(F)(F)F 485272171 HZQYVCQFJJHISH-AWEZNQCLSA-N 437.418 4.340 5 20 IIBD CC[C@@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1cc(F)cc(Br)c1 485931269 IPRMHMBXKYCZDQ-MRXNPFEDSA-N 445.310 4.110 5 20 IIBD Cc1cc(C(C)(C)C)ccc1OCCCC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 486995399 IAEBXNJUIXNNJG-UHFFFAOYSA-N 428.533 4.420 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCC3(CC2)OCCc2ccsc23)cc1SC 487417796 GOJJCNZXCGTFBP-UHFFFAOYSA-N 434.539 4.091 5 20 IIBD COCCOc1ccc(F)cc1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 488288317 RNHKIBSJYKPEDZ-UHFFFAOYSA-N 431.342 4.100 5 20 IIBD CCCC[C@H](Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC)C(=O)Nc1cc(C)on1 489456792 OWOVXEDVIWPNIJ-INIZCTEOSA-N 444.517 4.459 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)c1ccc([N+](=O)[O-])cc1Cl 501252737 TXMTWIBAXBZJFI-UHFFFAOYSA-N 434.832 4.472 5 20 IIBD Cc1cc(C)n(-c2ccc(CNC(=O)Cc3ccccc3[N+](=O)[O-])c(C(F)(F)F)c2)n1 501820940 CKHJJRBTBDPYNF-UHFFFAOYSA-N 432.402 4.275 5 20 IIBD Cc1sc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)nc1-c1c[nH]c2ncccc12 503897068 GWXNDQJUJYMCKY-UHFFFAOYSA-N 445.464 4.341 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccc2c1CN(CC(F)(F)F)C2 504860249 YLQVRXUFSAVMPW-UHFFFAOYSA-N 442.825 4.490 5 20 IIBD Cc1ccc(OCc2ccccc2)c(NC(=O)C(=O)N(C)CCc2ccccc2[N+](=O)[O-])c1 506733476 AUYMGKKUYMRKLL-UHFFFAOYSA-N 447.491 4.122 5 20 IIBD O=C(CCc1ncc(-c2ccccc2Br)o1)NCCc1ccc([N+](=O)[O-])cc1 507835493 YBCRRTUNAJIXJO-UHFFFAOYSA-N 444.285 4.304 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCCOc2cncc(Cl)c2)cc1[N+](=O)[O-])c1ccccn1 508805134 CTJKGHGDWSUZGP-CQSZACIVSA-N 441.875 4.020 5 20 IIBD CN(Cc1ccc(Br)o1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 509446471 GKRDIOZHLGJYGA-UHFFFAOYSA-N 425.282 4.169 5 20 IIBD COc1cc(CNCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c([N+](=O)[O-])cc1OC 509597396 ADXCVDFAECIKDM-UHFFFAOYSA-N 436.390 4.106 5 20 IIBD CN(CCCCCc1cc(-c2ccccc2)no1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 509664691 KCPBTBIYYUFPKB-UHFFFAOYSA-N 443.525 4.424 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(C(=O)NCc2ccccc2F)cc1 511106779 DFXSIFOPARYPSF-UHFFFAOYSA-N 436.443 4.023 5 20 IIBD CN(Cc1ccccc1Cl)C(=O)c1ccc([N+](=O)[O-])cc1I 511562984 AFFZFOFVUDGZAK-UHFFFAOYSA-N 430.629 4.125 5 20 IIBD COc1ccc(NC(=O)c2sc(-c3ccc(OC)c(OC)c3)nc2C)c([N+](=O)[O-])c1 511748815 URYWTHHHXHBOGZ-UHFFFAOYSA-N 429.454 4.305 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CSc2nnc3nc(C)cc(C)n23)cc1OC 513620644 STBRIYSMCQCCKN-LBPRGKRZSA-N 431.518 4.375 5 20 IIBD O=[N+]([O-])c1cc(I)ccc1NCc1ccc(Cn2cccn2)cc1 515547439 ZAPWFFKLABVNKA-UHFFFAOYSA-N 434.237 4.056 5 20 IIBD C[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc(NC(=O)c2ccccc2)c1 517359292 MPMOTOQUCRXGFH-CQSZACIVSA-N 433.420 4.067 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 517909859 PWHBZJDIKNGHPJ-QGZVFWFLSA-N 444.340 4.017 5 20 IIBD CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 518125702 GCBKSDKKFDPYOD-UHFFFAOYSA-N 448.209 4.100 5 20 IIBD Cc1cc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)n([C@H]2CCN(Cc3ccccc3)C2)n1 519576452 OPOIJVUYOMGAQS-AVRDEDQJSA-N 433.512 4.289 5 20 IIBD CCNC(=O)Nc1cccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 520062061 VJKRXBWOBDTMTJ-UHFFFAOYSA-N 425.489 4.225 5 20 IIBD Cc1ccc(NC(=O)C(=O)N[C@H](C)c2sc(-c3ccc(F)cc3)nc2C)cc1[N+](=O)[O-] 521558316 DGZDYTLNGNQBCI-GFCCVEGCSA-N 442.472 4.290 5 20 IIBD C[C@@H](NC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1)c1cccc([N+](=O)[O-])c1 532457699 FXEWIKVAXHHRGN-OAHLLOKOSA-N 449.492 4.405 5 20 IIBD O=C(CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1c(Cl)cc(Cl)cc1Cl 532707250 SAKKLGROJHGQKQ-NSHDSACASA-N 444.706 4.075 5 20 IIBD COC(=O)CCSc1cccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 534446654 FWJGCAXWVMCZOI-UHFFFAOYSA-N 446.528 4.449 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H](CO)c1ccc(C(F)(F)F)cc1 535025023 DWMZVQYADHQDTE-IBGZPJMESA-N 440.421 4.023 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 535674144 FHWACFNLOMUMMJ-DJJJIMSYSA-N 436.871 4.210 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] 539143768 KHOVVTGXVUMOAI-ACJLOTCBSA-N 436.306 4.275 5 20 IIBD COc1ccc(C2=NN(C(=O)CN[C@H](C)c3cccc([N+](=O)[O-])c3)[C@H](c3ccco3)C2)cc1 539277217 VVBCAPFDAQZTMN-ZHRRBRCNSA-N 448.479 4.225 5 20 IIBD CC[C@@H]1Oc2cc([C@H](C)N[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)ccc2NC1=O 539361091 IAZOXUOHFJBRGO-JCGVRSQUSA-N 437.456 4.166 5 20 IIBD COc1cc(CN2CC[C@H]3[C@@H](CCCN3C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 539899730 JTUFMOZRLOYGBX-UNMCSNQZSA-N 425.529 4.099 5 20 IIBD Cc1ccc(S(=O)(=O)NC[C@@H](NCc2cccc([N+](=O)[O-])c2)c2ccccc2)c(C)c1 540457952 KGIATJCUXQGYRP-JOCHJYFZSA-N 439.537 4.021 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)c1 541802705 WXYALRNBZGGBSJ-UHFFFAOYSA-N 439.921 4.052 5 20 IIBD C[C@H](C(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1)c1ccc([N+](=O)[O-])cc1F 542542171 ISBZZFUEGCEFOP-ZDUSSCGKSA-N 429.835 4.340 5 20 IIBD Nc1ccc(-c2noc(Cn3c(COc4ccccc4)nc4ccccc43)n2)cc1[N+](=O)[O-] 544930569 HLDFKZIPULNLTH-UHFFFAOYSA-N 442.435 4.204 5 20 IIBD Cc1ccc(-c2noc(-c3nn(Cc4ccccc4)c(=O)c4ccccc34)n2)cc1[N+](=O)[O-] 544951627 SUPAAEJHEKSERB-UHFFFAOYSA-N 439.431 4.378 5 20 IIBD O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 545340205 XYQCVRHMMQNCCK-GCJKJVERSA-N 443.475 4.207 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)NCCOc1c(Cl)cc(Cl)cc1Cl 545353883 HDXWHDRCODIBJN-UHFFFAOYSA-N 439.704 4.053 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])cnc1N)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 545384723 LKJXXRGLEOZOGG-UHFFFAOYSA-N 433.346 4.055 5 20 IIBD COc1cc(Cc2noc(-c3csc(-c4ccc5c(c4)OCO5)n3)n2)ccc1[N+](=O)[O-] 547179311 UXAJWPUIXYKHPN-UHFFFAOYSA-N 438.421 4.096 5 20 IIBD CO[C@@H](C)c1noc(CCc2nc(-c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3)no2)n1 547190351 FTMFTOUOTGWGGE-ZDUSSCGKSA-N 437.412 4.313 5 20 IIBD COc1ccc(CN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C2CC2)c(OC)c1 548944993 WLAFZMNLELGBNR-INIZCTEOSA-N 427.501 4.160 5 20 IIBD Cc1cc(N2CCCN(C(=O)c3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1C(F)(F)F 549466083 SZMYXRYQLBJNOR-UHFFFAOYSA-N 425.382 4.414 5 20 IIBD CC(C)c1noc(Cc2ccc(NC(=O)COc3ccc([N+](=O)[O-])c4cccnc34)cc2)n1 555144044 XVJLVUGRZZDYJE-UHFFFAOYSA-N 447.451 4.258 5 20 IIBD CSC[C@H]1CCCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 558127398 QHGZCSNDTCQNSH-AWEZNQCLSA-N 445.507 4.432 5 20 IIBD CN(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(Cl)cc1 558974172 XZRAURWXLXLAKU-INIZCTEOSA-N 426.698 4.043 5 20 IIBD C[C@H](C(=O)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1)c1cccc([N+](=O)[O-])c1 559374611 DVJJCFJMBYIJPS-SFHVURJKSA-N 435.524 4.128 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(Nc2ncccn2)cc1 560137141 GDRYNSQLFDMNEI-UHFFFAOYSA-N 428.246 4.452 5 20 IIBD COc1ccc(CN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)[C@@H](C)C2CC2)cc1 562398249 JYAACRFVOWIXPC-INIZCTEOSA-N 435.480 4.358 5 20 IIBD CSc1ccc([C@@H](CN[C@H](c2ccc([N+](=O)[O-])cc2)c2nccn2C)N(C)C)cc1 567395989 NIVJVKMJDBHMPK-NHCUHLMSSA-N 425.558 4.032 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 573410944 OFIXROQHJYGBSG-OAHLLOKOSA-N 443.479 4.362 5 20 IIBD C[C@H]1CCc2c(sc3nc([C@@H](C)N4CCOc5ccc([N+](=O)[O-])cc5C4)nc(O)c23)C1 574203101 MVJMRWFUDDREOH-QWHCGFSZSA-N 440.525 4.386 5 20 IIBD Cn1cc(CNC[C@@H]2CCCCN(Cc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 577381390 WOKDMXOTIJOKOW-NRFANRHFSA-N 433.556 4.387 5 20 IIBD C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2ccccc2)C[C@@H](C2CC2)O1 581025062 ZSNFOSOWCDVXSX-JTSKRJEESA-N 433.512 4.100 5 20 IIBD CN(c1ccccc1)c1ccc(CNc2ccc(C(=O)NCCCO)cc2)cc1[N+](=O)[O-] 581144451 JUBVXEIXQLHKLT-UHFFFAOYSA-N 434.496 4.087 5 20 IIBD Cc1ccccc1[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCOC2)C1 581476641 DOAMRTWIXAILNC-QUCCMNQESA-N 433.512 4.192 5 20 IIBD Cc1ccc(NC(=O)N2CCN(Cc3ccc(Br)s3)CC2)cc1[N+](=O)[O-] 603643398 FJAMUIPMECPBKT-UHFFFAOYSA-N 439.335 4.077 5 20 IIBD O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C/c1ccc(OCc2ccncc2)cc1 603748146 CHZAZBSTVSNAKX-AQTBWJFISA-N 426.432 4.223 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(-c4cc(O)n[nH]4)cc3)cc2[N+](=O)[O-])C1 603879283 PDOFAIXYOXBFNN-GASCZTMLSA-N 435.484 4.425 5 20 IIBD CNC(=O)C1CCC(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 608837153 TZTLABITXPWXGD-UHFFFAOYSA-N 436.306 4.012 5 20 IIBD O=C(Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 609702953 AABDHUTZMQLIEW-HKBQPEDESA-N 438.461 4.025 5 20 IIBD CC(C)n1cc([C@H](C)NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cn1 609859893 RCPAEHZPRBWPQM-NSHDSACASA-N 437.287 4.356 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC(c1cccs1)c1cccs1 609978283 JYLNKJNXZJZMHG-UHFFFAOYSA-N 443.506 4.312 5 20 IIBD Cc1ccc(-c2nsc(NC(=O)c3ccc([N+](=O)[O-])cc3Br)n2)s1 610044125 UVVFIGSABZHAMQ-UHFFFAOYSA-N 425.289 4.498 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1cccc2c1OCCO2 610105576 MAKYZODMCAZAIE-FQEVSTJZSA-N 425.485 4.235 5 20 IIBD O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 610144629 MKQACCQHSNYJEL-UHFFFAOYSA-N 446.463 4.377 5 20 IIBD C[C@@H]1CCCN(c2ccc(C(=O)NC3CCN(c4cccs4)CC3)cc2[N+](=O)[O-])C1 610672527 ZIVXJAZOEFQRTR-MRXNPFEDSA-N 428.558 4.291 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CN3CCc4c(F)cc(Br)cc4C3)n2)cc1 610729050 FCVNLORHXIJPSJ-UHFFFAOYSA-N 433.237 4.105 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)Nc1cccc([N+](=O)[O-])c1C 611530068 LIBIAJPMJKIJBZ-NRFANRHFSA-N 435.484 4.311 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 612131509 DOTDLEZILFUSFG-IHLLOCCUSA-N 432.524 4.036 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]1c1cccc(F)c1 619773152 HGPKWJLNGRPXEE-MRXNPFEDSA-N 440.212 4.234 5 20 IIBD CC(C)(C)c1ccc([C@H](O)CCC(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 726873595 WSIJJHIWTPMPGM-LJQANCHMSA-N 432.448 4.027 5 20 IIBD CCC[C@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C(=O)Nc1cccc(N2CCCC2)c1 727711781 DDQPKOWZRWDICK-IBGZPJMESA-N 446.454 4.010 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2C)cc1SC 728651813 XYGBKFHOTSTINL-LLVKDONJSA-N 438.889 4.471 5 20 IIBD O=C(Nc1sccc1C(=O)NCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1O 730209394 AEDQDFKBJBYJQX-UHFFFAOYSA-N 431.857 4.198 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 730645391 VUNUSKDNZVYIOL-SNVBAGLBSA-N 446.765 4.181 5 20 IIBD CCc1ccccc1NC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1cc([N+](=O)[O-])c(F)cc1F 731432259 STAVNZUMVILKGF-LJQANCHMSA-N 446.479 4.209 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccoc1CN1c2ccccc2C[C@H]1C 732840439 HTTRNDPUPPSQFP-MRXNPFEDSA-N 449.463 4.243 5 20 IIBD Cc1c(C(=O)NCCCO[C@@H]2CCCc3ccccc32)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 733761195 LMDGQTJNIZEISK-HXUWFJFHSA-N 427.457 4.334 5 20 IIBD CCc1ccc(OC(=O)CCNC(=O)Nc2ccc(Br)cc2)c([N+](=O)[O-])c1 734737831 SGHFFDNEEJVBGH-UHFFFAOYSA-N 436.262 4.037 5 20 IIBD Cc1cc(S(=O)(=O)N(C)Cc2ccc(Cl)cc2[N+](=O)[O-])ccc1Br 734834397 MSDKIVLTDZYTCB-UHFFFAOYSA-N 433.711 4.140 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-] 734891412 SIKMLTJDJMEOCG-KRWDZBQOSA-N 434.876 4.427 5 20 IIBD CC(C)C[C@@H](O)CNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 735587421 VCQKTKGFRHHZDZ-OAHLLOKOSA-N 439.871 4.386 5 20 IIBD Cc1ccc(NCCCNC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)c([N+](=O)[O-])c1 740443278 DRNNGIGTWUEHHN-ROUUACIJSA-N 441.532 4.141 5 20 IIBD CC[C@H](c1ccc(F)cc1F)N1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 742418442 RRDMIZHYKACXEV-OAQYLSRUSA-N 444.482 4.039 5 20 IIBD CC(C)c1nn(C)c2sc(C(=O)OCC3CCN(c4ccc([N+](=O)[O-])cn4)CC3)cc12 744090684 ZFHXYMTZAUTVKH-UHFFFAOYSA-N 443.529 4.135 5 20 IIBD Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)ccc1C(F)(F)F 744374238 NLJNQARUDPXDLR-LLVKDONJSA-N 425.338 4.053 5 20 IIBD COc1ccc(OCCOC(=O)c2csc(Cc3ccccc3F)n2)c([N+](=O)[O-])c1 745057137 ROGVKGBQYVBKIN-UHFFFAOYSA-N 432.429 4.026 5 20 IIBD COc1ccc(-c2ncc(C(=O)O[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)s2)cc1 745556080 DKDHLZLOBYOOPD-CYBMUJFWSA-N 441.465 4.219 5 20 IIBD O=C(Nc1cccnc1)c1ccc(OC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 746849684 DJCDLMNUWIWWPD-UHFFFAOYSA-N 431.326 4.480 5 20 IIBD O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 750096880 RILAHKGMYQHVKP-RTBURBONSA-N 438.311 4.428 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(C2CC2)nc2c(C)cc(C)cc12 752579178 IRVKDTSUWKOUNV-UHFFFAOYSA-N 449.463 4.441 5 20 IIBD COC(=O)C[C@H]1CN(C(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)CCO1 752745528 BGFZQFGYGQYBEA-FQEVSTJZSA-N 443.499 4.337 5 20 IIBD Cc1c(Br)cc(C(=O)NC[C@H](O)c2cc3ccccc3s2)cc1[N+](=O)[O-] 753646524 DGURCBLXUBSJDO-HNNXBMFYSA-N 435.299 4.344 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N[C@H](CO)C[C@H](O)c3ccccc3)c([N+](=O)[O-])c2)cc1 754087962 VPXFUAWHJJOYBK-REWPJTCUSA-N 435.480 4.052 5 20 IIBD C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br 755023170 ZRGATFBZMCEIEE-SKVICXGVSA-N 443.294 4.067 5 20 IIBD COc1cc(CNCc2cn(-c3ccccc3)nn2)ccc1OCc1ccc([N+](=O)[O-])cc1 756141627 VUQINCDORRBXII-UHFFFAOYSA-N 445.479 4.053 5 20 IIBD COc1ccccc1[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)NC(=O)OC(C)(C)C 758336035 AVAGMZNJUCJVNC-KRWDZBQOSA-N 448.451 4.130 5 20 IIBD CC(C)[C@H](OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)Nc1ccccc1Cl 758737674 OROPXDWCGVNFJQ-FQEVSTJZSA-N 429.860 4.479 5 20 IIBD O=C(Nc1cnc(Cl)c(Br)c1)c1ccc([N+](=O)[O-])cc1Br 759163836 RYDYBTDYRPKCRF-UHFFFAOYSA-N 435.459 4.421 5 20 IIBD O=C(Nc1c(F)cccc1NC1CC1)c1cc([N+](=O)[O-])ccc1I 759234518 AIVGLSJPYZNYJL-UHFFFAOYSA-N 441.200 4.165 5 20 IIBD Cc1c(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cnc(Cl)c1Br 759285371 SWIQVJJTTUKNNP-UHFFFAOYSA-N 436.653 4.152 5 20 IIBD O=C(Cc1csc(-c2cccc(F)c2)n1)O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 759935197 BHOLCMGTLNJHLH-IAGOWNOFSA-N 430.461 4.324 5 20 IIBD CN1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 762724771 CKFPXBNBXWZTIF-SGTLLEGYSA-N 426.275 4.464 5 20 IIBD CC(C)(C)OC(=O)N1CCC(N(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C2CC2)CC1 762965783 BWASLAAEYQVGTQ-UHFFFAOYSA-N 428.489 4.080 5 20 IIBD C[C@@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C(=O)NC12CC3CC(CC(C3)C1)C2 762991786 WUAGHSAPOGBEQY-TWLOVUBOSA-N 432.492 4.028 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 765110271 IDSLNEIMMUPOSC-MBSDFSHPSA-N 433.549 4.317 5 20 IIBD Cc1nc(-c2cccc(NC(=O)COC(=O)c3ccc([N+](=O)[O-])c4cccnc34)c2)cs1 766234805 ZAWNSLOHNYHTCO-UHFFFAOYSA-N 448.460 4.370 5 20 IIBD C[C@@H](OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)cs1 767980852 OKFGLDGPBFWTCI-CQSZACIVSA-N 425.466 4.143 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1 769048892 NENMAWIUMVJSNW-NRFANRHFSA-N 436.420 4.154 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Cl)nc1C(F)(F)F 769197342 KTEAKQUDTLRKHW-UHFFFAOYSA-N 428.710 4.069 5 20 IIBD O=[N+]([O-])c1ccc2nc(Sc3ccc(CN4CCOCC4)cc3[N+](=O)[O-])sc2c1 771929223 VINCRCDMSZSRQE-UHFFFAOYSA-N 432.483 4.096 5 20 IIBD O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cc([N+](=O)[O-])c2nsnc2c1 778239480 YKVAISZUFRBZMP-YUMQZZPRSA-N 442.341 4.239 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 780289733 RTIQXPMEQIANPU-UHFFFAOYSA-N 434.426 4.229 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2sc(C)nc2c1 781408352 AMLOFIORXBPMEV-INIZCTEOSA-N 444.538 4.003 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC1(c2ccc(Br)cc2)CC1 781625895 LMIQCHCSALJFNH-UHFFFAOYSA-N 434.246 4.004 5 20 IIBD CC1(NC(=O)OC(C)(C)C)CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 781783178 UCBBFVMGBKJHQT-UHFFFAOYSA-N 435.524 4.201 5 20 IIBD O=C(OCc1nc(Cc2cccc(F)c2)no1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 782368404 FTJKSFVUGGZJBI-UHFFFAOYSA-N 440.431 4.055 5 20 IIBD COc1cc(C(=O)N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)ccc1[N+](=O)[O-] 787673679 OBFHMCRLULKAAD-UHFFFAOYSA-N 432.476 4.394 5 20 IIBD CN(C(=O)COC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@@H]1CCCc2ccccc21 790745876 LFSOHYAZILLAAK-GOSISDBHSA-N 434.851 4.009 5 20 IIBD CC(C)c1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2cnn(C(C)C)c2n1 791603958 NWVZMJBETLNWCD-UHFFFAOYSA-N 427.417 4.309 5 20 IIBD CCOC(=O)N(C)c1ccc(NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 793040286 PCCCKXJDNVMKHR-UHFFFAOYSA-N 442.472 4.062 5 20 IIBD CCC(=O)c1ccc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])c1 795074758 VRZOFGCVORQAOI-UHFFFAOYSA-N 435.402 4.169 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)O[C@H](C)C(=O)c1cc(C)n(Cc2ccco2)c1C 795710011 TVWBKCIKWHXYJG-MRXNPFEDSA-N 440.452 4.481 5 20 IIBD Cc1nc(SC(F)F)sc1CC(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 795935941 BPTPEKYRIONYQN-SNVBAGLBSA-N 445.469 4.096 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 797510758 PHYOBSGDPIEPRN-UHFFFAOYSA-N 449.250 4.191 5 20 IIBD NC(=O)[C@@H](OC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 799554075 XKQVFKSHNXBBKH-IBGZPJMESA-N 426.425 4.269 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1 801089502 MSSKZEMLSDWLGZ-UHFFFAOYSA-N 425.363 4.020 5 20 IIBD CC1(C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)[C@H]1c1cccs1 805149594 JWSIOOKWRQCGAK-AWEZNQCLSA-N 431.333 4.191 5 20 IIBD COc1cc(COC(=O)c2ccnc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OCC(F)F 808665194 QIFKMTSZMQZPLS-UHFFFAOYSA-N 436.289 4.018 5 20 IIBD CN1CCO[C@H]([C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)c2ccc(Cl)cc2)C1 809914391 DLEOCALHSUDGFW-FUHWJXTLSA-N 439.299 4.095 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)O[C@@H]2CCN3CCC[C@H]3C2)cc1[N+](=O)[O-] 810848366 TXRFFQJWIADIEG-DLBZAZTESA-N 440.521 4.331 5 20 IIBD CC(C)CO[C@H](C)c1noc(CN(C)C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])n1 813034192 CLMOIHHKLCJJDY-SNVBAGLBSA-N 431.276 4.290 5 20 IIBD COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Oc1cccc(Cl)c1[N+](=O)[O-] 815055856 PQPTYKAMAHNXCE-SNVBAGLBSA-N 436.269 4.083 5 20 IIBD C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 816996489 OJWSWZJQTVHXQG-GTNSWQLSSA-N 439.346 4.124 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 825487974 MLOABYUDEULDTD-UHFFFAOYSA-N 430.333 4.142 5 20 IIBD O=C(CC1(CC(=O)Nc2cccc([N+](=O)[O-])c2)CCCC1)Nc1cccc([N+](=O)[O-])c1 864598339 DZHZLEXPCKWWDV-UHFFFAOYSA-N 426.429 4.421 5 20 IIBD C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 914497390 HHUYEAPNBJIIIV-CQSZACIVSA-N 437.418 4.283 5 20 IIBD Cc1c([C@H](C)NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cnn1-c1ccc(F)cc1 914528675 KMTMKGSJNZGYFI-NSHDSACASA-N 447.264 4.482 5 20 IIBD C[C@@H](OC(=O)CCOc1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 915590510 MBSZFNYVRABBNI-LLVKDONJSA-N 427.240 4.241 5 20 IIBD Cc1ccc(C(C)C)c(OCc2nnc(SCCOc3cccc([N+](=O)[O-])c3)n2N)c1 915793279 ORSVOLOUSLNFSB-UHFFFAOYSA-N 443.529 4.082 5 20 IIBD CC(C)Oc1ccc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)cc1 917904418 CJCCVEOYSDOBRH-GFCCVEGCSA-N 443.319 4.184 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCC(=O)N1CCc2sccc2[C@H]1c1ccccc1 918861503 MKIYJERAHLPLEU-NOENIZQJSA-N 448.500 4.387 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@@H](C)Sc1ccccc1Cl 919506323 CURGMYGXZAXLGP-VXGBXAGGSA-N 438.889 4.308 5 20 IIBD C[C@H](OC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1cccc([N+](=O)[O-])c1 920158728 PEFSHEHOXHDJIW-AWEZNQCLSA-N 444.440 4.453 5 20 IIBD CS(=O)(=O)c1cc(C(=O)OCc2sc3ccccc3c2Cl)cc([N+](=O)[O-])c1 920278662 OVWZBQRNJYWGCG-UHFFFAOYSA-N 425.871 4.223 5 20 IIBD O=C1/C(=C\c2cc([N+](=O)[O-])ccc2OC(F)F)NC(=S)N1c1ccccc1Cl 920833551 KCXZFEFGCBZZIZ-XYOKQWHBSA-N 425.800 4.112 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)NCc2ccc(Br)cc2Cl)cc1[N+](=O)[O-] 921158943 JEHZEMSYLIGPMJ-UHFFFAOYSA-N 428.626 4.157 5 20 IIBD O=C(c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc2C1 1116242432 OPBBXPZAFATVNI-UHFFFAOYSA-N 439.475 4.405 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1SCc1nccn1C(F)F 1252666500 UUAFJAIQILLSQU-UHFFFAOYSA-N 446.501 4.043 5 20 IIBD COc1cccc2cc(CNc3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])oc12 1318281327 PRFHRWWYUIEDRU-UHFFFAOYSA-N 445.497 4.136 5 20 IIBD Cc1cc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)ccc2n(C)c1=O 1324360172 TVTRDLSSWAXFBI-UHFFFAOYSA-N 434.496 4.244 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1F)c1cc(F)cc(Cl)c1 1800352226 SLWWGRZZMFOPTF-MUJYYYPQSA-N 449.841 4.092 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@H]1C[C@@H]1C1CC1 1801205715 AGBIZCJPGZPREE-DARIXABFSA-N 439.537 4.107 5 20 IIBD Cc1c[nH]cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 1801207191 WSVIOLXXQVZCRJ-MUJYYYPQSA-N 438.509 4.012 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc3cc[nH]c23)[nH]n1)c1ccc([N+](=O)[O-])o1 1814310040 YWVHQPOMBVMGFT-MRXNPFEDSA-N 448.439 4.012 5 20 IIBD C/C=C/C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)n[nH]1 1821294647 SJONVDJIJHHRNU-WUTVXBCWSA-N 431.880 4.162 5 20 IIBD COc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CC(C)(C)C)[nH]n2)ccc1[N+](=O)[O-] 1823281214 ADBDBSKKCAGSDT-MRXNPFEDSA-N 443.504 4.069 5 20 IIBD CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)CC1 1824160883 DZKGMUSXSRDJOX-LJQANCHMSA-N 447.963 4.211 5 20 IIBD C[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)Nc1cccc(Cl)c1 10722659 IUPWDKNELMPWFP-HNNXBMFYSA-N 434.879 4.379 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 25908053 VLQUXEVSHFAACV-UHFFFAOYSA-N 438.415 4.045 5 20 IIBD O=C(COC(=O)c1cnc2ccccc2c1C(F)(F)F)Nc1cc([N+](=O)[O-])ccc1F 25985363 NLOSINCLESSWLJ-UHFFFAOYSA-N 437.305 4.096 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCN(c2nccs2)CC1 26721984 YYATVJFTJVLUAO-UHFFFAOYSA-N 426.523 4.165 5 20 IIBD COc1ccc(-c2nc(COC(=O)c3ccc(OC)c([N+](=O)[O-])c3)cs2)c(OC)c1 28184255 ZPVDBLCFZVJGGS-UHFFFAOYSA-N 430.438 4.101 5 20 IIBD O=C(COC(=O)Cc1coc2cc3c(cc12)CCC3)Nc1ccc(Cl)cc1[N+](=O)[O-] 28918453 IRZINRAQAAVLBX-UHFFFAOYSA-N 428.828 4.208 5 20 IIBD CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)c1C(F)(F)F 33158719 QYJVKKFIOBGKAE-UHFFFAOYSA-N 448.357 4.228 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCOc1cccc(Br)c1 59851627 YSYILBXCEWTGMM-GFCCVEGCSA-N 425.304 4.033 5 20 IIBD CNC(=O)c1ccc(Sc2nc3sc(C)c(C)c3c(=O)n2C(C)C)c([N+](=O)[O-])c1 64904975 BFWZGVFWTLSWBN-UHFFFAOYSA-N 432.527 4.075 5 20 IIBD CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 65127715 MTXPNZQAGOXLQW-UHFFFAOYSA-N 428.489 4.061 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 69726047 AJSXSOGQXIKRPC-YCRPNKLZSA-N 437.883 4.272 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCC2(c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] 72091274 SNYXZQUWHULOAY-FQEVSTJZSA-N 441.915 4.009 5 20 IIBD COc1ccc(CCNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1OC(F)F 110115286 AOPQDHNKBDKYJB-LBPRGKRZSA-N 426.441 4.044 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@H](C)CC(C)(C)c2ccccc2)ccc1[N+](=O)[O-] 110318760 GSJNDHWVSFBELX-XMSQKQJNSA-N 437.540 4.380 5 20 IIBD COCCCN1CCC(NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 237211021 ZWNSVYALERKKOI-UHFFFAOYSA-N 449.555 4.038 5 20 IIBD COc1ccc(-c2ccc(CNCc3cccnc3OCC(F)(F)F)o2)c([N+](=O)[O-])c1 237436001 DBOMIFPFEDRZPH-UHFFFAOYSA-N 437.374 4.489 5 20 IIBD O=C(c1ccncc1)N1CCC(Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 301107277 QHXSPQITUBTTHY-UHFFFAOYSA-N 428.798 4.379 5 20 IIBD Nc1nc(Sc2nnc(-c3ccccc3Cl)n2Cc2ccccc2)ncc1[N+](=O)[O-] 301153108 LQJQUZVPFSTAHK-UHFFFAOYSA-N 439.888 4.078 5 20 IIBD C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)c1cccc(N2CCCC2)c1 301541378 CGUZRJOTFYJORP-QGZVFWFLSA-N 444.557 4.153 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1OC 302840945 BYNNHBJUZALIDT-UHFFFAOYSA-N 447.919 4.050 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 428931553 HZFDJVRHFPNUGL-KDOFPFPSSA-N 437.418 4.323 5 20 IIBD CCOc1cc(NC(=O)C(=O)N2CCCC[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OCC 430223305 HLZYVOWUJOUSFA-SFHVURJKSA-N 441.484 4.085 5 20 IIBD CC(C)(NC(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1)c1ccc([N+](=O)[O-])cc1 431661064 MBMSXZSWOUOFAZ-OAHLLOKOSA-N 434.443 4.009 5 20 IIBD CC(C)C[C@@H]1C(=O)NCCCN1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 433164637 FVDBCSYZALVLTO-HXUWFJFHSA-N 426.473 4.156 5 20 IIBD O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 433938050 BNPMYMHYLQNOBP-UHFFFAOYSA-N 433.468 4.377 5 20 IIBD CCC[C@H]1CCc2nc(NC(=O)C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)sc2C1 434913697 KXOXAOUAAJOFLZ-INIZCTEOSA-N 444.557 4.034 5 20 IIBD O=C(Nc1ccc(Cn2cccn2)cc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436063216 XRWHVZYDPWRGSP-UHFFFAOYSA-N 430.414 4.457 5 20 IIBD Cc1ccc(C(C)C)c(Oc2ccc(CN3CCC(S(N)(=O)=O)CC3)cc2[N+](=O)[O-])c1 443860499 UUQGVSAEFCTLLD-UHFFFAOYSA-N 447.557 4.072 5 20 IIBD O=C(CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1)N1CCCCC1 443878970 LZSGACXITXYKAY-UHFFFAOYSA-N 435.402 4.273 5 20 IIBD CS(=O)(=O)c1cccc(Oc2cccc(CNC(=O)Nc3ccccc3)c2)c1[N+](=O)[O-] 443954002 AAMWEHSTNPGEQE-UHFFFAOYSA-N 441.465 4.112 5 20 IIBD C[C@H]1C[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCN1Cc1ccccc1 444163922 DFSSMTCFJFJUPL-GHTZIAJQSA-N 425.532 4.464 5 20 IIBD O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 446915171 CBFJEYYYTFBMCT-UHFFFAOYSA-N 433.346 4.254 5 20 IIBD CN(Cc1ccccc1N1CCOCC1)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] 447686611 RHZZFYIZGSHQMC-UHFFFAOYSA-N 446.376 4.117 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1ccc(O[C@H]2CCOC2)cc1 448135324 SQYYCXMJPBNETN-FQEVSTJZSA-N 432.432 4.246 5 20 IIBD CCOc1cc(C(=O)N2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])cc1OC 460521785 CCQFKIYUEJOWBD-HNNXBMFYSA-N 447.919 4.175 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CSC[C@H]1C(=O)Nc1cccc(C)c1C 462491794 PHIJYEVDTXOWNO-RXVVDRJESA-N 441.553 4.321 5 20 IIBD COc1cc(CN2CCN(Cc3csc(-c4ccccc4)n3)CC2)c([N+](=O)[O-])cc1F 463469212 JQVUQJAQVMISLI-UHFFFAOYSA-N 442.516 4.184 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 464720825 SJGHSLOLLOLELX-HNNXBMFYSA-N 435.402 4.163 5 20 IIBD CC[C@@H]1c2ccsc2CCN1C(=O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464779527 UBVVBJNPTLDOAC-HXUWFJFHSA-N 429.542 4.036 5 20 IIBD CCOc1cccc(CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])c1OC(F)F 465052652 DJUXDBVRKUBOGS-UHFFFAOYSA-N 446.410 4.172 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 466291745 ZQMVQFWJXWVDRO-UHFFFAOYSA-N 439.449 4.136 5 20 IIBD CCOc1c(Cl)cc(NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 466316524 GOLDSCGHHQMHCD-JTQLQIEISA-N 426.256 4.057 5 20 IIBD NC(=O)[C@H]1CCCC[C@H]1NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 466430070 BZTJZDRJLXZNKU-GOEBONIOSA-N 433.917 4.173 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N(CCO)Cc1cccnc1 467924826 QMLYZXVBMQGQGV-UHFFFAOYSA-N 443.912 4.429 5 20 IIBD O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccc(S(=O)(=O)C2CCCC2)cc1 468884686 HQCXBDWYNDXFTH-UHFFFAOYSA-N 425.466 4.112 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl 469201487 OOVGAVCSBUMYLI-JTQLQIEISA-N 447.296 4.070 5 20 IIBD CCOC(=O)[C@@](C)(CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1ccccc1 470837154 UCANAEJNBRQTMJ-SANMLTNESA-N 446.478 4.071 5 20 IIBD CN(C)CC1CCN(c2ccccc2NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 471244767 RTVPOPLZQVHAHN-UHFFFAOYSA-N 435.528 4.035 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(O)(Cc3cccc(F)c3)CC2)nc1OCc1ccccc1 472658505 FMJNZXWCISLQJN-UHFFFAOYSA-N 437.471 4.282 5 20 IIBD O=C(Nc1ccccc1)Nc1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)s1 474481493 XNKFQSXEMGWYOO-UHFFFAOYSA-N 425.470 4.142 5 20 IIBD CC(C)(NC(=O)c1cc(I)ccc1F)c1ccc([N+](=O)[O-])cc1 474957756 SQCRUGGVPPUOCL-UHFFFAOYSA-N 428.201 4.004 5 20 IIBD O=C(c1ccc2nc(-c3ccccc3)oc2c1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 476049774 JRTQMHLVZVOUQL-QGZVFWFLSA-N 429.436 4.125 5 20 IIBD CC1(C)CN(C(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)CCN1 477310196 SIQWFEKFGITASJ-LGMDPLHJSA-N 436.537 4.346 5 20 IIBD CN1CC[C@@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@H]1c1ccc(Cl)c(F)c1 477441865 XBWFOUXZVBOWPZ-RNODOKPDSA-N 430.867 4.291 5 20 IIBD CCOc1cc(CN[C@@H]2CC(C)(C)OC2(C)C)ccc1OCCn1c([N+](=O)[O-])cnc1C 478260724 WEMTUMFVPGZQSY-HXUWFJFHSA-N 446.548 4.013 5 20 IIBD Cc1ccc(I)cc1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 478643742 CZXIJTDOYHHJKB-UHFFFAOYSA-N 433.205 4.308 5 20 IIBD COc1cccc(C(NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2cccc(OC)c2)c1 480344986 SZWKQPVBFMOFEJ-UHFFFAOYSA-N 435.480 4.238 5 20 IIBD CC(C)(C)OC(=O)c1ccc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c(F)c1 480719334 GDJPTBZBACZASO-UHFFFAOYSA-N 444.463 4.043 5 20 IIBD COc1ccc(-c2ccc(NS(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)nc2)cc1Cl 481856322 GBDNNFZBQGCXRQ-UHFFFAOYSA-N 449.872 4.128 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCC(OCCCN(C)C)CC3)c([N+](=O)[O-])c2)cc1 484826363 BQYLPGVBYVUJPB-UHFFFAOYSA-N 440.544 4.093 5 20 IIBD COC(=O)c1cc(NC(=O)c2csc(Cc3cccc(F)c3)n2)c(C)c([N+](=O)[O-])c1 485960037 UHBQGCVNWBFJCV-UHFFFAOYSA-N 429.429 4.129 5 20 IIBD CCOc1ccc(NC(=O)CNC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)cc1 485989725 MJUAYWVXFGSLBE-UHFFFAOYSA-N 431.514 4.110 5 20 IIBD Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 486734633 NNTSVHRJMCMKDV-KBPBESRZSA-N 439.468 4.002 5 20 IIBD Cc1cc(-c2noc([C@H](C)NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)n2)ccc1F 488183077 PVXZRSHTQCUIGM-JTQLQIEISA-N 436.346 4.185 5 20 IIBD Cc1ccccc1C1(CNC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCCCC1 494877577 IIXZULRDDSPPSI-UHFFFAOYSA-N 425.533 4.348 5 20 IIBD O=C(Nc1nc(-c2ccccc2)c(Br)s1)c1cc2c(c([N+](=O)[O-])c1)OCO2 497735754 OZMVEYGEPHCLDL-UHFFFAOYSA-N 448.254 4.462 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)cc1[N+](=O)[O-] 498231493 LLROPFSYGPWOFP-AUUYWEPGSA-N 435.427 4.349 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC(CCCN2CCCC2)CC1 500850908 DFPRBANKTQULMO-UHFFFAOYSA-N 438.366 4.014 5 20 IIBD C[C@@H](NC(=O)CSc1ccccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccncc2)cc1 505959106 MRLQVYDENXGANG-OAHLLOKOSA-N 436.493 4.212 5 20 IIBD O=C(NC1CCN(Cc2coc(-c3ccccc3)n2)CC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 506133673 YIWKVVDSLXYSLQ-UHFFFAOYSA-N 445.479 4.126 5 20 IIBD COCCC[C@@H](CNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)c1ccc(Cl)cc1 506215651 PGAMPUMECGQMAD-KRWDZBQOSA-N 447.919 4.130 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(-c3ccc(F)cc3C(F)(F)F)no2)c1N1CCOCC1 508038031 JUJZGJTYCMGDDS-UHFFFAOYSA-N 438.337 4.306 5 20 IIBD CCOC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)nc1-c1ccccc1 508763449 MRFSGRYMXQOYAC-UHFFFAOYSA-N 427.438 4.156 5 20 IIBD O=C(Nc1cc2ccc(Br)cn2n1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 511280861 JSEVMNHWCCUPQY-UHFFFAOYSA-N 429.152 4.276 5 20 IIBD CCOC(=O)c1sc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)nc1C 514620529 QKXHQTJAGSLHQY-STQMWFEESA-N 446.529 4.271 5 20 IIBD C[C@H](N[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1)c1cccc([N+](=O)[O-])c1 515717380 GORNZRACHBESHU-HJPURHCSSA-N 433.464 4.032 5 20 IIBD COc1ccc(CNC(=O)c2cccc(OCc3cn4cc(C)ccc4n3)c2)cc1[N+](=O)[O-] 515730082 QIOJAECBVPHNJB-UHFFFAOYSA-N 446.463 4.069 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](CCC(C)C)c1ccc(Cl)cc1 518146228 YJDJZHPUJRCJMQ-KRWDZBQOSA-N 433.892 4.489 5 20 IIBD O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 518284493 SIJLLOWQSNTZPO-UHFFFAOYSA-N 426.392 4.236 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)cc1[N+](=O)[O-])c1ccccn1 518355153 TXLZRYZDMCJGIF-LBPRGKRZSA-N 439.859 4.168 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@H]2CCCN(C(C)C)C2)cc1 519886178 RJWXGTBTIDJVHF-QGZVFWFLSA-N 427.501 4.246 5 20 IIBD O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccco1 521012312 DCYYRIONTCMSKR-UHFFFAOYSA-N 439.808 4.033 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1 521562807 BTTKARHYYGTEBQ-UHFFFAOYSA-N 445.522 4.004 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)N1CC[C@H](N2CCCCC2)C1 521695639 AWKPCURDEMVACT-SIKLNZKXSA-N 442.947 4.488 5 20 IIBD Cc1nc(-c2ccco2)ccc1C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 522391323 POMLASRQLQMRLQ-IBGZPJMESA-N 437.452 4.371 5 20 IIBD CC(C)n1cc([C@@H](C)NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cn1 523661526 TWZKYSOHWRABDZ-MRXNPFEDSA-N 449.511 4.160 5 20 IIBD O=C(NC1(c2cccc(Br)c2)CCC1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 524696804 GWVINWSLJNHOGC-UHFFFAOYSA-N 442.269 4.420 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCc2cccc(N3CC=CC3)c2)cc1[N+](=O)[O-])c1ccccn1 524825116 YQSBOJUOIMBNES-SFHVURJKSA-N 443.507 4.469 5 20 IIBD COc1cc(C(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)cc([N+](=O)[O-])c1OC 525626730 UAUFWOYWWWGZQF-NRFANRHFSA-N 432.436 4.008 5 20 IIBD CCOc1ccc(NC(=O)CN2CCCC[C@H]2c2nc3ccccc3n2C)c([N+](=O)[O-])c1 533524787 RDXOTGWZAOMREZ-FQEVSTJZSA-N 437.500 4.046 5 20 IIBD COC(=O)CCSc1cccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 533737138 RHYLBZIKCUFNJK-UHFFFAOYSA-N 439.287 4.265 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(Nc2cn(CC(C)C)nc2C(F)F)c([N+](=O)[O-])c1 534148021 MZQCWORWTQYWSB-UHFFFAOYSA-N 445.492 4.159 5 20 IIBD Cn1cc(C(=O)Nc2ccc3c(c2)nc(C(C)(C)C)n3C)c(-c2ccc([N+](=O)[O-])cc2)n1 535527118 ARQMWNIQMZKQGQ-UHFFFAOYSA-N 432.484 4.432 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N(C)Cc3cc(F)c(F)c(F)c3)cc2)c(C)c1[N+](=O)[O-] 537477802 LWMBXPHIUXJIEF-UHFFFAOYSA-N 432.402 4.146 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC(CN3CCCCC3=O)CC2)cc1OC 541059198 HJOQULFNVZYGLZ-GOSISDBHSA-N 447.576 4.253 5 20 IIBD O=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 543099338 DXAVFVQWMOIEAZ-UHFFFAOYSA-N 443.341 4.305 5 20 IIBD CCc1ccc([C@H](NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)o1 543425336 SMSREAPPSQQTHX-SGIRGMQISA-N 435.524 4.065 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3cc(C(F)(F)F)ccc3Br)n2)nc1 545076678 LDSOPRXLHDECMN-UHFFFAOYSA-N 429.152 4.412 5 20 IIBD O=C1C[C@H](c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)CN1c1ccc(Cl)cc1 546557913 IJPKCIKAUDAOSV-ZDUSSCGKSA-N 437.843 4.224 5 20 IIBD CC[C@@H](Cc1ccccc1Br)N(C)C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 548151415 WWIDKHJGANDNEO-INIZCTEOSA-N 435.318 4.388 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)c1 549210668 FZFSDDMCCSIKLF-HNNXBMFYSA-N 427.482 4.429 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC([C@@H]4CCCO4)CC3)n2Cc2cccs2)c1 555439514 GKDNZIVPRSTROQ-FQEVSTJZSA-N 439.541 4.359 5 20 IIBD CNC(=O)c1cc(Oc2cccc(NC(=O)c3ccc(SC)c([N+](=O)[O-])c3)c2)ccn1 557793993 BGBMQINPBHWKJO-UHFFFAOYSA-N 438.465 4.116 5 20 IIBD COc1cc(-c2noc(COc3ccc([N+](=O)[O-])c(C)c3)n2)ccc1OC[C@@H]1CCCO1 558295073 YXTUWTXUMWCXAO-KRWDZBQOSA-N 441.440 4.099 5 20 IIBD COc1ccc([C@H](Cc2ccccc2)NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])cc1 558479721 PTALBXKXDDERLO-QFIPXVFZSA-N 440.521 4.049 5 20 IIBD CCc1c(-c2nc(Cc3ccccc3[N+](=O)[O-])no2)nnn1-c1ccc(OC(C)C)cc1 567648299 YAPLGQOMDYNLHW-UHFFFAOYSA-N 434.456 4.166 5 20 IIBD COCC[C@@H](NC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 573344982 NJGBSPDRQPUBQI-OAHLLOKOSA-N 443.283 4.426 5 20 IIBD O=C(CN1CCc2cc(Br)cc(F)c2C1)Nc1ccc([N+](=O)[O-])cc1Cl 576131309 KBIIMRLGSLIHBP-UHFFFAOYSA-N 442.672 4.147 5 20 IIBD COc1ccc(C[C@H]2CCCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)C2)cc1 581916701 NGOADQZZEVMBNL-HXUWFJFHSA-N 437.540 4.301 5 20 IIBD CCn1cc(S(=O)(=O)N[C@H](c2ccccc2)c2ccc3ccccc3c2)c([N+](=O)[O-])n1 583570322 MNFLUYSXPAVYMA-OAQYLSRUSA-N 436.493 4.032 5 20 IIBD C[C@@H](CC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)c1cccc(C(F)(F)F)c1 583833785 DNYODYBYLHLHEU-HNNXBMFYSA-N 449.429 4.092 5 20 IIBD NS(=O)(=O)c1ccc(N[C@@H](c2cccc(F)c2)c2cccc(Cl)c2)cc1[N+](=O)[O-] 600848241 BORHBBVINAVGHA-LJQANCHMSA-N 435.864 4.236 5 20 IIBD O=C(NC[C@H](CO)Cc1ccco1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 603552024 ZRBJGHVUOAAZTF-OAHLLOKOSA-N 443.887 4.034 5 20 IIBD COc1ccc(CSCC(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] 603565512 YVKKYATVGVUIAU-UHFFFAOYSA-N 426.441 4.097 5 20 IIBD CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1OCC(=O)N1CCCC1 603977430 ULHFTROPCSSQLU-IBGZPJMESA-N 445.903 4.131 5 20 IIBD COc1ccc(CNC(=O)COc2ccc3ccccc3c2Br)cc1[N+](=O)[O-] 604018313 UDRXDGHRCKJZRS-UHFFFAOYSA-N 445.269 4.214 5 20 IIBD COc1cc([C@@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1 604041475 AUOMIQSQWJAAKL-MRXNPFEDSA-N 442.493 4.222 5 20 IIBD O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)c1n[nH]c2ccc([N+](=O)[O-])cc12 604236552 NPTLYVQUTILSGW-UHFFFAOYSA-N 425.420 4.381 5 20 IIBD COCCN1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1 609269142 LXOVEQTTWXUTJF-MRXNPFEDSA-N 449.960 4.240 5 20 IIBD CC(C)(C)c1cc(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)n(-c2ccc(F)cc2)n1 609448651 POTGLCLCCNJALK-UHFFFAOYSA-N 449.446 4.050 5 20 IIBD C[C@@H](CC(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1)S(=O)(=O)c1ccc(F)cc1 609859054 DSXADDLXWWVEGZ-HNNXBMFYSA-N 434.489 4.262 5 20 IIBD O=C(OCc1nc2ccccc2s1)c1ccc(I)c([N+](=O)[O-])c1 727522377 DYHVPULYFAQHJN-UHFFFAOYSA-N 440.218 4.166 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Oc2cccc(CNC(=O)OC(C)(C)C)c2)c1C 730271898 WZMPCVFFOPQLMU-UHFFFAOYSA-N 436.486 4.004 5 20 IIBD O=C1OCCN1c1cccc(CNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c1 732568199 UHPDXVMFKHDCAT-UHFFFAOYSA-N 426.307 4.091 5 20 IIBD CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 733106701 AAEJKUWUIKHYBW-UHFFFAOYSA-N 429.826 4.471 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)cc1OC(F)F 734119599 BOFIJXCZYINCEU-UHFFFAOYSA-N 437.218 4.068 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCCCCNC(=O)NC1CCCCC1 734394566 XZEUKQJVMBKENZ-UHFFFAOYSA-N 438.956 4.399 5 20 IIBD COC(=O)[C@@](C)(NCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(Br)c1 734839420 YRDGYIACZPNQKU-KRWDZBQOSA-N 427.682 4.189 5 20 IIBD O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])C1CCN(C(=O)CCc2ccccc2)CC1 734890875 XTDULZUJOPXFJB-UHFFFAOYSA-N 430.888 4.163 5 20 IIBD O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 735699159 LCOXAFFFQLTTPP-INIZCTEOSA-N 438.292 4.489 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)Cc1csc(NC(=O)c2ccoc2C)n1 735802558 BEYHWXOACGJBGT-UHFFFAOYSA-N 434.861 4.348 5 20 IIBD O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 741205680 IYMNNUZMJPEKDN-UHFFFAOYSA-N 441.915 4.292 5 20 IIBD CC[C@H](C)[C@H](C(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C)N1C(=O)c2ccccc2C1=O 741935393 YUCNUFHQGUOTBQ-BBATYDOGSA-N 429.860 4.206 5 20 IIBD CCCc1ncc(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)s1 742050688 KFDBRJLQPWNUSQ-MRXNPFEDSA-N 431.514 4.246 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[C@H]1SCCc2ccccc21 744353772 DZXOXOOMPIGQAT-FQEVSTJZSA-N 438.509 4.412 5 20 IIBD CCC[C@@H](NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccccc1 744562507 LVABGVKRZMHKEB-DYESRHJHSA-N 439.512 4.398 5 20 IIBD O=C(CCc1nc(O)c2c3c(sc2n1)CCC3)OCc1cc(Cl)ccc1[N+](=O)[O-] 746062397 HLYAZPIZIOPILS-UHFFFAOYSA-N 433.873 4.123 5 20 IIBD CC(C)N(Cc1ccc(F)cc1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 746182178 LKUCGJSDUNFRAI-UHFFFAOYSA-N 431.283 4.096 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1ccccc1OC(F)F 747125094 UNRVMTDASJSHGG-UHFFFAOYSA-N 434.273 4.011 5 20 IIBD C[C@@]1(CNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCC[C@@H]1O 748584112 DERQYIBJMQOKPE-UGKGYDQZSA-N 445.903 4.172 5 20 IIBD CCc1nc(C(=O)Oc2ccc(OC)cc2[N+](=O)[O-])nn1-c1c(Cl)cccc1Cl 748607916 SHUZPVXNBMGNQP-UHFFFAOYSA-N 437.239 4.273 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Cc1c[nH]c2cc(F)ccc12 751057420 POKHNSNGUSHFDC-UHFFFAOYSA-N 437.431 4.245 5 20 IIBD Cc1cc(F)cc(C(=O)O[C@@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)c1[N+](=O)[O-] 752558273 NXQJUVJOVPVGRX-NSHDSACASA-N 426.803 4.039 5 20 IIBD CC(C)N(C)Cc1ccccc1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754627277 BTOGBTYEMOFYEN-UHFFFAOYSA-N 438.297 4.267 5 20 IIBD COC(=O)c1cc(Cl)cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c1 755006241 NJZVWYWECYDAPD-UHFFFAOYSA-N 431.601 4.189 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c(C)c1 756530912 YSFSQGJXGOWAOR-ZDUSSCGKSA-N 435.274 4.087 5 20 IIBD CCOC(=O)c1cc(F)c(F)cc1NC(=O)c1cccc([N+](=O)[O-])c1Br 758479183 FNWKYBLIDLQMPO-UHFFFAOYSA-N 429.173 4.065 5 20 IIBD Cc1ccc(-c2ncco2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 759100916 BFAUXWLZWDCZNE-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD CCCN(CC)C(=O)c1ccc(C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 760517267 XQXNYHYEGFPTTE-UHFFFAOYSA-N 437.452 4.479 5 20 IIBD C[C@@H](OC1CCCCCC1)C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 761335675 QOAKVVFKUJTCIK-GFCCVEGCSA-N 432.395 4.223 5 20 IIBD O=C(NCCc1nc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)no1)c1ccsc1 761858238 NKECCVHUHYKCPN-UHFFFAOYSA-N 436.449 4.471 5 20 IIBD O=[N+]([O-])c1ccc(Oc2ccc(-c3noc(-c4ccc(-n5ccnc5)nn4)n3)cc2)cc1 761860244 WDVMEKUCFOEFAO-UHFFFAOYSA-N 427.380 4.080 5 20 IIBD O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)CC1 763469895 DKVVNZYUTQKRMQ-UHFFFAOYSA-N 441.793 4.156 5 20 IIBD COc1ccc(Br)c(OC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])c1 763540905 MCJUAXWYDGBOKM-UHFFFAOYSA-N 428.260 4.316 5 20 IIBD COc1cc(CONC(=N)c2ccc(Oc3ccc(F)cc3)nc2)c([N+](=O)[O-])cc1F 766070248 WZDLWXLCWNVQNZ-UHFFFAOYSA-N 430.367 4.116 5 20 IIBD Cc1cccc(C(=O)N2CCCN(Cc3c(Br)cccc3[N+](=O)[O-])CC2)c1 768251137 HERLYOYUTFZCMN-UHFFFAOYSA-N 432.318 4.014 5 20 IIBD O=C(OCCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1csc(-c2ccccn2)n1 768782284 DCPOTKYQFLBZAC-UHFFFAOYSA-N 439.371 4.368 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)[C@H](C)Oc2cccc3ccccc23)c([N+](=O)[O-])c1 769376409 BEZQTJCJXGFLNX-GJZGRUSLSA-N 438.436 4.094 5 20 IIBD CC1(OCC(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCC1 773212892 YGQZVVIGCOLOCY-IBGZPJMESA-N 432.860 4.430 5 20 IIBD O=C(Cc1cc(Cl)c2c(c1)OCCO2)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776131947 BWYNCBYZHHJTLI-NRFANRHFSA-N 440.839 4.290 5 20 IIBD CN(C)c1ccc(N(Cc2ccccn2)C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1 776389800 GPVUUWFUWZZVPB-UHFFFAOYSA-N 429.480 4.244 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H](O)c1ccc(Cl)cc1Cl 778736104 GRMCLKMKOCFBQC-MRXNPFEDSA-N 432.691 4.130 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)Nc1ccccc1C(F)(F)F 778888541 VVNIRKLXUPVAKC-VIFPVBQESA-N 448.300 4.399 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCC(Oc2cncc(Cl)n2)CC1 779449710 OMSLRYBTCYLPEK-UHFFFAOYSA-N 445.785 4.132 5 20 IIBD O=C(N[C@H](c1ccc(F)cc1)c1cccs1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781582948 YSGWSQKMPZVBCJ-AZUAARDMSA-N 425.441 4.194 5 20 IIBD CC(C)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(N3CCCC3=O)c2)cc1[N+](=O)[O-] 784257854 WKZSSAPIIZQTRT-HNNXBMFYSA-N 439.468 4.029 5 20 IIBD Cc1cnc(Br)cc1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 785976578 RWGYEBNBXYTFKT-UHFFFAOYSA-N 433.184 4.401 5 20 IIBD COc1ccc(-c2noc([C@@H](C)OC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])n2)cc1 790745054 LELWVBJWXVCSHA-SNVBAGLBSA-N 435.795 4.293 5 20 IIBD COC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1F 790940714 XTDOMHFANFKHCF-UHFFFAOYSA-N 426.198 4.235 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)NCc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)c1F 790985131 KLQZGIVVOSQQAR-UHFFFAOYSA-N 429.448 4.223 5 20 IIBD O=C([C@H]1C[C@@H]1c1c(F)cccc1F)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791174482 LXQLCBSGOFNCSD-RYUDHWBXSA-N 437.240 4.324 5 20 IIBD C[C@H](OC(=O)COc1ccccc1Cc1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] 791189152 VVXYTBRYFXOENO-KRWDZBQOSA-N 434.448 4.135 5 20 IIBD CC(C)(C)OC(=O)NCCc1nc(C(=O)OCc2cc([N+](=O)[O-])ccc2Cl)cs1 795898246 BAOAKGIHFLLUKS-UHFFFAOYSA-N 441.893 4.129 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 797645845 MITVEVCOSHYICU-SFHVURJKSA-N 426.473 4.074 5 20 IIBD COc1c([N+](=O)[O-])cc(NCCc2ccc3[nH]ccc3c2)c([N+](=O)[O-])c1Br 799330000 BRZUCPIDVDZAPD-UHFFFAOYSA-N 435.234 4.410 5 20 IIBD CC(C)N(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(CC(=O)N(C)C)cc1 799448800 CHKWKZGZEUDOTB-UHFFFAOYSA-N 449.960 4.413 5 20 IIBD O=C(COC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])Cc1ccccc1Cl 800137981 ANYBIAQSXXYEHK-UHFFFAOYSA-N 431.750 4.158 5 20 IIBD Cc1nc(Cl)ccc1NC(=O)c1cc([N+](=O)[O-])cc(I)c1C 800967841 SIXFCIZFGZDDNM-UHFFFAOYSA-N 431.617 4.117 5 20 IIBD CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1 803306955 VPIXHZFUASZJJU-FZKQIMNGSA-N 436.917 4.404 5 20 IIBD C[C@H](OC(=O)c1cc(F)c(Br)c(Cl)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 803735045 VWXOEQUXVNXIGK-QMMMGPOBSA-N 445.628 4.334 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@H](CCO)c1ccc(Cl)c(Cl)c1 804521140 MTAFZRIJOQIXLN-OAHLLOKOSA-N 435.666 4.477 5 20 IIBD CN(C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 806949723 HPNWWSMIOJJBFN-IAGOWNOFSA-N 444.702 4.355 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(Cc3noc([C@@H]4Cc5cc(Br)ccc5O4)n3)c2c1 809433793 NEQNLFORSFNZFD-KRWDZBQOSA-N 441.241 4.489 5 20 IIBD O=C(/C=C/c1ccc(Cl)nc1)OCc1cc(I)cc([N+](=O)[O-])c1 811039189 NTOPUXXNFIDACB-DUXPYHPUSA-N 444.612 4.004 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 813882510 AFBOWHUKXDELOI-SHTZXODSSA-N 439.940 4.238 5 20 IIBD Cc1c(CC(=O)N2CCC[C@@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cccc1[N+](=O)[O-] 814428733 NCNVLTMXVYWCOA-WOJBJXKFSA-N 445.560 4.331 5 20 IIBD Cc1ccc(-c2noc([C@H](C)OC(=O)c3cc([N+](=O)[O-])c(N(C)C)cc3F)n2)cc1F 814483623 POSRQYJOZIDZKH-NSHDSACASA-N 432.383 4.215 5 20 IIBD O=C(OCCOc1ccccc1[N+](=O)[O-])C1CCN(c2noc3ccc(Cl)cc23)CC1 815372407 KGLCNKNBGHQZEJ-UHFFFAOYSA-N 445.859 4.228 5 20 IIBD O=C1CCCN1CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c2ccccc21 815767807 CMBBLTMNPHAYSP-CQSZACIVSA-N 447.413 4.370 5 20 IIBD COc1c([N+](=O)[O-])cc(NCCCOc2ccccc2F)c([N+](=O)[O-])c1Br 836189629 NHLMIWNFDKJCTR-UHFFFAOYSA-N 444.213 4.294 5 20 IIBD CCn1ccnc1Sc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] 836580671 NDOHGCIVLJJQKK-UHFFFAOYSA-N 432.527 4.380 5 20 IIBD O=C(Cc1ccccc1[N+](=O)[O-])Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1 890350492 LIJXWAMIDPDCGY-UHFFFAOYSA-N 446.371 4.425 5 20 IIBD CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 914501749 LWYFPKBEKCUHHS-HNNXBMFYSA-N 433.867 4.177 5 20 IIBD COc1ccc(Br)c(CNC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1 916502271 QGWOHHFAPMZSAV-UHFFFAOYSA-N 444.079 4.058 5 20 IIBD Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)OCc3ccccc3[N+](=O)[O-])cc2)cc1 917291781 GTTRCJFGRMWKQW-UHFFFAOYSA-N 425.462 4.234 5 20 IIBD CCOc1ccc2cc(C(=O)O[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)[nH]c2c1 919467662 IKVXZFKEXJDTRL-LLVKDONJSA-N 431.832 4.312 5 20 IIBD C[C@@H](OC(=O)CCOc1ccccc1[N+](=O)[O-])C(=O)Nc1nc(-c2ccccc2)cs1 919493385 YGYGWQVPOWYKKA-CQSZACIVSA-N 441.465 4.058 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N2CCO[C@H](c3ccc(Cl)s3)C2)cc1[N+](=O)[O-] 1116226058 KHWUCPXQTIQJCU-LBPRGKRZSA-N 437.326 4.034 5 20 IIBD CC(C)(C)OC(=O)NCc1ccccc1CNc1ncc([N+](=O)[O-])cc1Br 1319562336 QGWIGECRVJKKDC-UHFFFAOYSA-N 437.294 4.389 5 20 IIBD Nc1c(C(=O)N2CCC(c3ccc(F)c(F)c3)CC2)cc(Br)cc1[N+](=O)[O-] 1321890609 INQPEGAMKNIFRW-UHFFFAOYSA-N 440.244 4.238 5 20 IIBD Cc1ncc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccccc4[N+](=O)[O-])CCC3)cc2)[nH]1 1786507961 IMEZXXCLXIKUBR-KPKJPENVSA-N 445.479 4.087 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)NC1(c2ccc(NC(=O)CC(C)C)cc2)CCC1 1787664545 YGPOEHCODBAHDH-UHFFFAOYSA-N 425.485 4.403 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccncc3Cl)CCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 1790186938 WNISCBCBCQMURX-UHFFFAOYSA-N 439.859 4.033 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4F)cc3)CCC2)c[nH]1 1790621669 CEVYABYOAGTHJR-UHFFFAOYSA-N 436.443 4.432 5 20 IIBD CC(C)c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)C3)cc1 1799709193 ZRQJCROPCJOCRI-SBPBHMIISA-N 437.496 4.276 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@@H]1C[C@@H]3CC[C@H]1C3)C2 1800698909 JKFNHAKUFSQMBN-BPCAWRKVSA-N 443.519 4.120 5 20 IIBD Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccccc2[N+](=O)[O-])ccc1F 1804345724 VSLCNWWKZSBKTH-LDEDEHCMSA-N 437.471 4.008 5 20 IIBD CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccc(Cl)cc3[N+](=O)[O-])[nH]n2)CC1 1816657160 JKXAGSXBMNXORY-INIZCTEOSA-N 445.907 4.006 5 20 IIBD Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)CC3CCC3)CC2)cc1[N+](=O)[O-] 1832833313 LHYDRIKYSWBWCS-JOCHJYFZSA-N 441.572 4.256 5 20 IIBD Cc1ccc(F)cc1C(=O)N1CC2(CCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)C1 1845498444 JNWUCXLCHXNQNV-UHFFFAOYSA-N 445.878 4.135 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCC(F)(F)C1 1847222774 ZXVAVCBOWLQLTQ-KCXAZCMYSA-N 449.479 4.060 5 20 IIBD CCCCn1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nnc1[C@@H](CC)N(C)C 3551071 XVHVYHCBWHLRFK-QGZVFWFLSA-N 435.550 4.158 5 20 IIBD Cc1cc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)no1 9032252 ZKUMFQNMRYYTJV-UHFFFAOYSA-N 447.856 4.491 5 20 IIBD C[C@@H](OC(=O)COc1ccccc1-c1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 10593845 VWFIMLVQDFJQRU-OAHLLOKOSA-N 438.411 4.350 5 20 IIBD CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C(F)(F)F)c1 11265286 LQAIYBLLXMEUTR-UHFFFAOYSA-N 437.783 4.026 5 20 IIBD O=C(COC(=O)CCc1ncc(-c2ccccc2F)o1)Nc1cc([N+](=O)[O-])ccc1Cl 12273076 UKMMXGZPUNVNAJ-UHFFFAOYSA-N 447.806 4.157 5 20 IIBD COc1ccc(-c2nc(C(=O)OCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cs2)cc1 19175993 NBMBHUUNFBIMQD-UHFFFAOYSA-N 447.856 4.176 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(Sc2nnc(-c3ccccc3C)o2)c([N+](=O)[O-])c1 20667726 VJFUOIQDPOVBSZ-UHFFFAOYSA-N 448.526 4.135 5 20 IIBD Cc1nn(-c2ccccc2)c(Cl)c1C(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 21157533 PPLXZJGXUKOLMA-UHFFFAOYSA-N 449.250 4.191 5 20 IIBD Cc1cccc(NC(=O)[C@H](C)OC(=O)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C 21752749 BIGJFJWVOLOJBX-ZDUSSCGKSA-N 439.390 4.213 5 20 IIBD Cc1ccc(NC(=O)Cc2nc(COC(=O)/C=C\c3ccccc3[N+](=O)[O-])cs2)cc1 33527707 ICQSBTWJVPRQKN-FLIBITNWSA-N 437.477 4.298 5 20 IIBD COc1ccc2c(C)cc3nnc(SCc4nc(-c5ccc([N+](=O)[O-])cc5)no4)n3c2c1 107841929 KRPRXMVYVOSWHL-UHFFFAOYSA-N 448.464 4.450 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(Cc3nnc(-c4ccc(Cl)cc4Cl)o3)CC2)cc1 108965161 JXKRZFYULOQLJH-UHFFFAOYSA-N 434.283 4.274 5 20 IIBD O=c1c(Cl)c(NC[C@@H](c2ccco2)N2CCCCC2)cnn1-c1ccc([N+](=O)[O-])cc1 301151394 DEWDPTZYPLHQNL-SFHVURJKSA-N 443.891 4.026 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCO[C@H](c2ccc(F)c(F)c2)C1 301157934 QUZABIXSXLQHCZ-HNNXBMFYSA-N 433.289 4.378 5 20 IIBD COC(=O)[C@@H](C)NC(=O)c1ccc(N2Cc3ccccc3-c3ccccc3C2)c([N+](=O)[O-])c1 301158869 GUAFKPCIGBWXDS-MRXNPFEDSA-N 445.475 4.073 5 20 IIBD Cc1nnc(Sc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])n1[C@@H]1CCC[C@H](C)C1 301823948 CTKIGNGJBWLGEK-XJKSGUPXSA-N 440.529 4.362 5 20 IIBD O=[N+]([O-])c1ccc(N[C@H]2CCN(c3nn4cc(-c5ccc(Cl)cc5)nc4s3)C2)nc1 302406336 GMOGHTDSUKJOIC-AWEZNQCLSA-N 441.904 4.105 5 20 IIBD CC(C)(c1ccccc1)c1nnc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)s1 303338280 VNNUHUIEWLWUMY-UHFFFAOYSA-N 434.481 4.210 5 20 IIBD CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1(C)C 303807182 HUSITWYJUYTVQM-GQWLDOHISA-N 426.517 4.439 5 20 IIBD COC(=O)c1cccc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1Br 427783370 VBRNTEJMBKYCAM-JTQLQIEISA-N 439.287 4.263 5 20 IIBD Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)n2)c1 428379824 BHTALXNFOTXUCK-OAHLLOKOSA-N 443.467 4.318 5 20 IIBD O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1ccc2[nH]c3ccccc3c(=O)c2c1 430476481 IMIMIQOBFSSJMT-SHQCIBLASA-N 444.506 4.324 5 20 IIBD CCN(CC)C[C@H]1CCCC[C@@H]1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 430828077 RFKCEEIYBNLTEW-PBHICJAKSA-N 431.455 4.166 5 20 IIBD CCCS(=O)(=O)Nc1cccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1C 431183678 YNZLALHTUJSMET-UHFFFAOYSA-N 434.518 4.112 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(CC3CCC3)C(C)C)cc2)cc1[N+](=O)[O-] 431590802 WRKNAPXFMOFQIJ-UHFFFAOYSA-N 445.541 4.355 5 20 IIBD C[C@@H](CNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)CC(=O)O 431816282 VDPRBLAADYFVMP-DSQDWWTGSA-N 439.493 4.362 5 20 IIBD C[C@@H](CNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)CC(=O)O 431816285 VDPRBLAADYFVMP-VQCBNXJZSA-N 439.493 4.362 5 20 IIBD Cc1cc(=O)c(-c2nc(-c3ccc(O)c4ccccc34)no2)nn1-c1ccccc1[N+](=O)[O-] 436614471 XYQIBMXPFYECGY-UHFFFAOYSA-N 441.403 4.025 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCO[C@@H]3C[C@@H](N(C)C)CC[C@@H]32)cc1[N+](=O)[O-] 437942935 WIAQYVZMNSYGOW-CMKODMSKSA-N 435.590 4.057 5 20 IIBD NC(=O)c1cccc(NCc2cn(Cc3ccccc3)nc2-c2ccccc2)c1[N+](=O)[O-] 439097646 JLOZJAMSXAPAHL-UHFFFAOYSA-N 427.464 4.218 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N2CCC3(CCOCC3)C2)cc1[N+](=O)[O-] 440616038 RHMJPPKHCMOYTM-UHFFFAOYSA-N 440.521 4.190 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCO[C@@H](c2cccs2)C1 444230572 ZWOVWZHACWFLQJ-QGZVFWFLSA-N 426.444 4.235 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ncn(Cc2cccc(F)c2)n1 444533379 CELXCPZWZHXCHV-UHFFFAOYSA-N 443.504 4.052 5 20 IIBD Cc1cc(SCC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c(C)cc1Br 444641827 HGCNOHIAPSIFIF-UHFFFAOYSA-N 449.330 4.259 5 20 IIBD O=C(CCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1cc(Cl)sc1Cl 445642140 LAZSRZRWWSQWGW-UHFFFAOYSA-N 442.324 4.275 5 20 IIBD COc1ccc(NC(C)=O)cc1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 447206290 DZYDARJVKXUKTE-UHFFFAOYSA-N 435.436 4.393 5 20 IIBD CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1Cc1ccccc1 460778154 PIQJYBGQHNAFPQ-NRFANRHFSA-N 435.528 4.491 5 20 IIBD Cc1ccccc1-c1cc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n(C)n1 462086301 UWLZWKAVDXFDKE-UHFFFAOYSA-N 435.484 4.379 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1 462920778 BICQGDJOONTUNP-SFHVURJKSA-N 444.601 4.262 5 20 IIBD CN(C(=O)CNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C1CCCCC1 465262823 YTYFGGNUBFWSFS-UHFFFAOYSA-N 426.473 4.300 5 20 IIBD CC1(C)CN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C[C@H]1O 468551305 CZIRLIKMHUBNAI-QGZVFWFLSA-N 429.523 4.199 5 20 IIBD CC[C@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccccc1OCC(=O)N1CCCC1 470151345 HPCGMYOAPZABDT-IBGZPJMESA-N 444.463 4.008 5 20 IIBD C[C@H](Cc1ccccc1Br)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 470162793 LEANLEKCUDYMPC-OAHLLOKOSA-N 446.345 4.321 5 20 IIBD COc1cc(C(=O)Nc2nnc(-c3cc4ccccc4o3)s2)cc([N+](=O)[O-])c1OC 470375985 PUJUPPOYQCVPIC-UHFFFAOYSA-N 426.410 4.129 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)NC1CCC2(CCCCC2)CC1 470925704 JRUXIZXIGGPFAG-UHFFFAOYSA-N 425.432 4.144 5 20 IIBD Cc1ccccc1-c1nc(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)no1 476359294 XZMDZYZVKDZMAX-UHFFFAOYSA-N 428.423 4.109 5 20 IIBD O=C(N[C@@H](CO)Cc1ccncc1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 476962356 KTXZKHLJVUTNKL-MRXNPFEDSA-N 443.912 4.128 5 20 IIBD CC(C)(C(=O)NCc1noc(-c2cccc(Br)c2)n1)c1ccc([N+](=O)[O-])cc1 477160990 HJSJIIPWDZBVKJ-UHFFFAOYSA-N 445.273 4.001 5 20 IIBD COC(=O)c1cnc(N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)c([N+](=O)[O-])c1 478286619 DVLPHEUSOAEOEP-UHFFFAOYSA-N 443.463 4.266 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H](CO)c1c(Cl)cccc1Cl 478470559 UQZNKONQYMQEDC-GOSISDBHSA-N 441.314 4.311 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)c1C 479152204 QOYYUIKWLKOJAD-UHFFFAOYSA-N 442.881 4.323 5 20 IIBD COc1ccc(Cl)cc1-c1cc(NS(=O)(=O)c2c([N+](=O)[O-])ccc(C)c2C)n[nH]1 481600592 AXDYWVPLIDDELA-UHFFFAOYSA-N 436.877 4.065 5 20 IIBD COC(=O)c1csc(-c2cccc(CNC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)c2)n1 481641198 LWXVUGWXZRSKEZ-GFCCVEGCSA-N 443.456 4.064 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 481892221 LDJLOMSMQOUMJB-UGKGYDQZSA-N 425.554 4.200 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 481988689 CWMAKKLMIZTDCD-UHFFFAOYSA-N 444.538 4.405 5 20 IIBD O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1cc([N+](=O)[O-])ccc1OC(F)F 485568942 LLNJXHKWVHRKHC-HOCLYGCPSA-N 430.766 4.249 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 486817257 GVSGSVQDDOLSTM-QGZVFWFLSA-N 443.569 4.289 5 20 IIBD O=[N+]([O-])c1cc(CNS(=O)(=O)c2ccccc2C(F)(F)F)cc(C(F)(F)F)c1 487418074 ZFONYFYWDKYAAL-UHFFFAOYSA-N 428.310 4.111 5 20 IIBD CCc1cc(N2CCC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3SCC(C)C)C2)ncn1 487593196 QZDBURUXGYHNTE-KRWDZBQOSA-N 443.573 4.094 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1ccccc1O[C@H]1CCOC1 488929055 CDZNQTSSHNBPGT-HNNXBMFYSA-N 425.363 4.103 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCC[C@H]1CCCc1ccccc1 489365665 XCWUMKLPUJDCQZ-LJQANCHMSA-N 437.496 4.297 5 20 IIBD Cc1ccoc1C(=O)NCCCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 489515070 ASOSRZGXSIDJKH-UHFFFAOYSA-N 439.493 4.197 5 20 IIBD O=C(NC1CCN(Cc2ccc(F)cc2)CC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 489606628 SACJNKFCWSNJNX-UHFFFAOYSA-N 426.492 4.073 5 20 IIBD Cn1ccc([C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c2ccc(Cl)cc2)n1 490008284 VUSFBRHNVYJGMQ-LJQANCHMSA-N 427.892 4.306 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 490609699 BVDMDUDIJUEYPQ-MRVPVSSYSA-N 436.337 4.063 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)cc1[N+](=O)[O-] 491650344 APFYLBFNUFGHTN-UHFFFAOYSA-N 446.529 4.420 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)[C@@H]1[C@@H](c2ccccc2)C1(F)F)c1ccccc1[N+](=O)[O-] 493181362 NUOJXGBEAGWSOO-DBVUQKKJSA-N 432.423 4.143 5 20 IIBD COCCN(Cc1ccc(Br)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1F 493278069 CGEQOOZDBNTJLQ-UHFFFAOYSA-N 432.271 4.238 5 20 IIBD COC(=O)c1cc(C(=O)N[C@H](COc2ccccc2F)c2ccccc2)cc([N+](=O)[O-])c1 500716580 LUWFHHPMSVUOGK-HXUWFJFHSA-N 438.411 4.071 5 20 IIBD C[C@]1(F)CCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)C1 501432966 DVVPHSVEYWCYMJ-HKUYNNGSSA-N 436.281 4.471 5 20 IIBD COc1cc(CNc2cc(Cl)ccc2NC(C)=O)c([N+](=O)[O-])cc1OCC(F)F 502655454 RPPHNICGDILBMH-UHFFFAOYSA-N 429.807 4.471 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCOc2c(-c3ccccc3)cccc21 509638586 RWMUKKKGZNMFEE-LJQANCHMSA-N 440.477 4.073 5 20 IIBD Cc1c(Br)cc(C(=O)N(C)c2ccc(-c3ccccc3)nn2)cc1[N+](=O)[O-] 511319521 LCSJHARCKYNLER-UHFFFAOYSA-N 427.258 4.399 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(Cc3ccco3)C[C@@H]3CCCO3)cc2[N+](=O)[O-])C1 511585239 AOYMYTGDSZSIQP-OPYAIIAOSA-N 441.528 4.492 5 20 IIBD COc1cc(C(=O)N2CCCc3cc(OC(F)F)ccc32)c([N+](=O)[O-])cc1OC(F)F 511627938 MKGLNXJGTYRLHQ-UHFFFAOYSA-N 444.337 4.399 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@H]2CCN(c3ccccn3)C2)cc1 513544592 KCKSNTDPPICEFG-NRFANRHFSA-N 440.507 4.211 5 20 IIBD COc1ccccc1SC[C@@H](C)CN[C@H](c1cccc([N+](=O)[O-])c1)c1nccn1C 513656765 XHIHTXXFUPXFCF-HRAATJIYSA-N 426.542 4.444 5 20 IIBD CC(C)C(=O)Nc1cccc(NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 514875123 FMDYKEZFLAZYTK-UHFFFAOYSA-N 426.473 4.064 5 20 IIBD O=C(Nc1cc(Br)ccc1-n1cccn1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 517510791 OITVHFREJNBAFP-UHFFFAOYSA-N 442.273 4.370 5 20 IIBD O=C(c1ccccc1)c1ccc(N2CCCN(C(=O)CC3CCCC3)CC2)c([N+](=O)[O-])c1 518068864 ZEHOHNWAFCSZLV-UHFFFAOYSA-N 435.524 4.445 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@H](c2nc3ccccc3s2)C1 520074139 CUDHWBINFKHICF-HNNXBMFYSA-N 433.493 4.410 5 20 IIBD Cc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Sc2nccn2C)ccc1[N+](=O)[O-] 522435889 KLJXKVIPKRVSOF-UHFFFAOYSA-N 438.918 4.242 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 522577757 ZNSIXRWZFMPRPB-QGZVFWFLSA-N 449.442 4.145 5 20 IIBD O=C1COc2ccc([N+](=O)[O-])cc2N1CC(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 522676129 MLWAKUKCCXSMNG-SFHVURJKSA-N 443.887 4.118 5 20 IIBD CCC[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 525040337 BQTHGUGCUUOAAG-ZWKOTPCHSA-N 429.542 4.179 5 20 IIBD C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 527260835 YGBIGPAMIDFIST-HNNXBMFYSA-N 426.450 4.188 5 20 IIBD COc1cc(CNc2cnn(-c3ccccn3)c2)c([N+](=O)[O-])cc1OCc1ccccc1 535785245 JAWXBGNKHOVVCD-UHFFFAOYSA-N 431.452 4.375 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CN(c3nccs3)S(=O)(=O)c3ccccc3)co2)cc1 536300621 OQMGNSURDRPGOA-UHFFFAOYSA-N 442.478 4.102 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 538781819 YIRFMLWOPQABRT-SFHVURJKSA-N 435.480 4.301 5 20 IIBD COc1cc(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])cc(OC)c1Br 539525382 OIVGJGRLIHAQAT-UHFFFAOYSA-N 439.262 4.091 5 20 IIBD CCOc1ccc(C(=O)Nc2c(F)cc(C)cc2I)cc1[N+](=O)[O-] 540003518 VHRHSRGODBZUCK-UHFFFAOYSA-N 444.200 4.298 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 540250161 PCLOISYDHJEGKQ-XIWSCHCOSA-N 443.258 4.454 5 20 IIBD C[C@H](N[C@@H](C)c1cccc(N2CCCC2=O)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 540408627 SWKAPYOSURRLAH-KBPBESRZSA-N 430.892 4.053 5 20 IIBD COc1ccc(NC(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1[N+](=O)[O-] 542034302 YQHGTTAYFYKNIN-CQSZACIVSA-N 435.440 4.133 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2cccc(NC(=O)Nc3ccccc3)c2)s1 542103770 GSHMSBXESZLKBL-UHFFFAOYSA-N 446.510 4.316 5 20 IIBD COC(=O)COc1ccc(N(C)C(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)cc1 544151918 GZXKDNJRULSAKZ-UHFFFAOYSA-N 432.498 4.171 5 20 IIBD COc1ccc(CSCc2nc(-c3cccc(N4CCCC4=O)c3)no2)cc1[N+](=O)[O-] 544956273 ZIXTXTCMEPJNHN-UHFFFAOYSA-N 440.481 4.214 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 545387624 ZRHWUOHNWSAGII-SFHVURJKSA-N 439.331 4.318 5 20 IIBD O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1CCN(C(=O)C2CC2)CC1 546647915 AGKVDVHAGURPSH-UHFFFAOYSA-N 445.928 4.094 5 20 IIBD COc1cc(-c2nc(Cc3ccc(-n4nc(C)cc4C)cc3)no2)cc([N+](=O)[O-])c1OC 546954534 ZNMGVRIGEFLZHF-UHFFFAOYSA-N 435.440 4.055 5 20 IIBD CC(C)OC[C@@H]1CN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 547442308 UGFASIFSHAZYGC-QHCPKHFHSA-N 436.512 4.073 5 20 IIBD CC(C)(C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1)c1ccccc1[N+](=O)[O-] 550261260 PCQRAZSONQQERJ-OAHLLOKOSA-N 432.318 4.030 5 20 IIBD O=C(c1cccc(Cl)c1)N1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 551415761 QZGHCBOMOZNCTR-UHFFFAOYSA-N 440.887 4.251 5 20 IIBD CC[C@@H]1CCCC[C@@H]1c1noc([C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)n1 551532013 JPSINQKTPODUHE-MDZRGWNJSA-N 448.545 4.230 5 20 IIBD C[C@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@@H](c2cccc(C(F)(F)F)c2)O1 553723481 VXUSYWZVZUZHDA-LIRRHRJNSA-N 438.402 4.371 5 20 IIBD COc1cc(C(=O)NCC(F)(F)c2ccccc2)c([N+](=O)[O-])cc1OCc1cscn1 555113841 DCTIOKANVZGUGQ-UHFFFAOYSA-N 449.435 4.161 5 20 IIBD O=C(C1CCC(OC[C@@H]2CCCO2)CC1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 565373537 IZAHBVBGYVLJGH-VJFUWPCTSA-N 444.450 4.240 5 20 IIBD C[C@@]1(CNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])OCCc2sccc21 568337673 VUTYVOMMRZESSW-KRWDZBQOSA-N 446.472 4.372 5 20 IIBD Cn1cc(-c2ccc3c(c2)N(CC2CN(Cc4ccc([N+](=O)[O-])cc4)C2)CC3(C)C)cn1 569473612 YYKVQPDISICZQG-UHFFFAOYSA-N 431.540 4.225 5 20 IIBD COc1cc(-c2noc(-c3cc(OC)c(C)c([N+](=O)[O-])c3)n2)ccc1OC[C@H]1CCCO1 577101507 IOVKBMWTSZXDPR-MRXNPFEDSA-N 441.440 4.195 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@H](c2c(Cl)cccc2Cl)C2CC2)cc1[N+](=O)[O-] 582331158 CHUKEQYJSMMXNY-KRWDZBQOSA-N 438.267 4.116 5 20 IIBD O=C(CCN1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1)Nc1ccc([N+](=O)[O-])cc1 583889032 OTFSHVYEZJMIRL-SFHVURJKSA-N 442.274 4.443 5 20 IIBD COc1ccc(NC(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)c([N+](=O)[O-])c1 603565736 OPQUUUREYSKWPN-UHFFFAOYSA-N 445.273 4.421 5 20 IIBD COC(=O)c1cc(C(=O)NCc2ccc(Oc3cc(C)ccc3C)nc2)cc([N+](=O)[O-])c1 603667778 JRFHAVXDWYZJQM-UHFFFAOYSA-N 435.436 4.116 5 20 IIBD O=C(CN1C(=O)[C@@H](c2cccs2)N(Cc2ccccc2)C1=O)c1cccc([N+](=O)[O-])c1 603677905 KUALJQUHXUUOAT-HXUWFJFHSA-N 435.461 4.045 5 20 IIBD CCOc1cc(NC(=O)Cc2ccc(-n3nc(C)cc3C)cc2)c([N+](=O)[O-])cc1OCC 603733943 QABUPIJSVCLGLD-UHFFFAOYSA-N 438.484 4.376 5 20 IIBD CCOc1ccc(C(=O)Nc2nc3c(s2)CCN(Cc2ccccc2)C3)cc1[N+](=O)[O-] 603756473 QXHJBIBYTSTKRY-UHFFFAOYSA-N 438.509 4.261 5 20 IIBD COc1cc(-c2noc(CCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2)cc(Cl)c1OC 604111648 JAHUNBCSEVFFEX-UHFFFAOYSA-N 446.847 4.195 5 20 IIBD Cc1c(C(=O)Nc2cccc(-c3n[nH]c4c3CCCC4)c2)nnn1-c1cccc([N+](=O)[O-])c1 604240610 CJWHUHYSNRNFLV-UHFFFAOYSA-N 443.467 4.005 5 20 IIBD Cc1c(C(=O)Nc2ccccc2NC(=O)c2cccs2)nnn1-c1cccc([N+](=O)[O-])c1 608809147 TZZUUIQTHHJNQF-UHFFFAOYSA-N 448.464 4.050 5 20 IIBD O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1cc([N+](=O)[O-])cc2c1OCCO2 608930791 BKZFJYWNCGYGPM-FQEVSTJZSA-N 443.459 4.409 5 20 IIBD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 609448746 VSHOQEIVCUIGEU-HXUWFJFHSA-N 439.516 4.252 5 20 IIBD NC(=O)c1ccc(SCC(=O)Nc2nc(/C=C/c3ccccc3)cs2)c([N+](=O)[O-])c1 609757040 FYRHVTINFTUEMN-SOFGYWHQSA-N 440.506 4.051 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(CSc2ccccn2)c1 609847986 QXVJCJJRIQDSHL-KRWDZBQOSA-N 440.529 4.153 5 20 IIBD O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)s1 610137645 SRLRFKVJGKDOOH-UGKGYDQZSA-N 437.565 4.296 5 20 IIBD CC(=O)N[C@H](CC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 610210453 SGFAFUGZPXOTJG-QUCCMNQESA-N 433.917 4.090 5 20 IIBD C[C@@H](c1nc2ccccc2s1)N1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 610512185 PYRDQWPMARJPFE-LBPRGKRZSA-N 448.346 4.245 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@H]1c1ccccc1Br 610665425 FDQMFVWDKDXHEY-KRWDZBQOSA-N 434.290 4.413 5 20 IIBD COc1ccc([C@@H](CC(=O)O)NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1 610841576 SSOQYCMJIQUWQF-OAQYLSRUSA-N 449.463 4.161 5 20 IIBD COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 611333004 JIEUFYYJQSXOBX-JENIJYKNSA-N 445.560 4.129 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H](C)[C@@H]2CCCCO2)cc1[N+](=O)[O-] 611476479 HTZSBTLGGZQKAG-KUHUBIRLSA-N 428.510 4.235 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]1c1nc2ccccc2n1C(C)C 619489054 ZLXOAHTVOWVEIA-GOSISDBHSA-N 444.513 4.060 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Br)Nc1cc(Cl)ccc1Cl 725985690 WJAXQSDSFGXFFO-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)c(N)c([N+](=O)[O-])c1 727900170 PYVSHFJCGMSBAL-INIZCTEOSA-N 433.464 4.260 5 20 IIBD Cc1nc(C(=O)OCCOc2ccc([N+](=O)[O-])cc2)nn1-c1c(Cl)cccc1Cl 728381147 MCORKQHCNPKTQA-UHFFFAOYSA-N 437.239 4.027 5 20 IIBD COc1cc(C(=O)OCc2ncc(-c3cccs3)o2)c([N+](=O)[O-])cc1OC(F)F 731507210 KIEIFVKKLYTOBQ-UHFFFAOYSA-N 426.353 4.278 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(N2CCCC2=O)c(Cl)c1 734995821 UZVHASKBHCNPEV-UHFFFAOYSA-N 438.267 4.436 5 20 IIBD CC(C)OC(=O)NCc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 735023727 SQTHATXFWUHOMZ-UHFFFAOYSA-N 443.503 4.428 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 735638094 QPLIYDBRJAHGEN-UHFFFAOYSA-N 433.380 4.130 5 20 IIBD C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(c2c[nH]c3ncccc23)CC1 735871718 UHNKMDQMNAOPJT-ZDUSSCGKSA-N 427.892 4.331 5 20 IIBD CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1 736013956 VLGICZNOLLBRAU-UHFFFAOYSA-N 435.864 4.404 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCC(CN(C)C)CC2)cc1 737672046 PKJTWWHTIWNGKS-KRWDZBQOSA-N 442.585 4.492 5 20 IIBD C[C@@H](OC(=O)c1ccc(N)c(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 738862304 PDOXUUUNSJIDQT-MRVPVSSYSA-N 431.754 4.033 5 20 IIBD Cc1noc2nc(C3CC3)cc(C(=O)OCc3ccc([N+](=O)[O-])cc3Br)c12 739579837 LQRCLZODYCXIDX-UHFFFAOYSA-N 432.230 4.436 5 20 IIBD O=C(OCCOCCO)c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2 740175217 COISWXFSBLPMMW-FBMGVBCBSA-N 448.475 4.186 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)OC[C@H]2CCC(=O)N(C)[C@@H]2c2cccc(Cl)c2)c1 740599445 TXFQIMIQXOARPK-JLTOFOAXSA-N 432.860 4.023 5 20 IIBD CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C 741933948 CIFLURKONDOXJZ-KRWDZBQOSA-N 431.876 4.199 5 20 IIBD C[C@@H](OC(=O)c1cc(Br)cs1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 743042405 LDYFFCJEGVRVDQ-SSDOTTSWSA-N 433.667 4.256 5 20 IIBD CC(C)(C(=O)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc2ccccc2c1 744074394 MPNOVHLTFQWEPB-UHFFFAOYSA-N 432.885 4.184 5 20 IIBD C[C@@H](OC(=O)COc1cccc([N+](=O)[O-])c1)c1ccc(N(C)Cc2ccccn2)c(F)c1 744204274 PPWPBDAUCBTGGK-MRXNPFEDSA-N 439.443 4.449 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)Cc1ccn(C(C)C)n1 744352574 BTJUSSVGWHPGDZ-UHFFFAOYSA-N 442.497 4.459 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(Cl)c(C(F)(F)F)c1 747115887 KSISSFFDKODTFV-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD COc1ccc(Cl)cc1NC(=O)COC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 747126659 XBQNNRCGNFLCQV-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD Cc1c(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748623173 JPDFDVZQCIYQHR-UHFFFAOYSA-N 440.456 4.388 5 20 IIBD O=[N+]([O-])c1c(NC[C@@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)nc2sccn12 748794088 REDKHYHNICMIDV-CYBMUJFWSA-N 440.325 4.185 5 20 IIBD O=C(COC(=O)c1cc(Cl)ccc1OC(F)F)Nc1ccc(Cl)cc1[N+](=O)[O-] 748918863 RHCVXIPYWRHXEJ-UHFFFAOYSA-N 435.166 4.299 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2cccc(Cl)n2)c2ccccc2)c([N+](=O)[O-])c1 750165132 MZVVCJCYCBEGNJ-IBGZPJMESA-N 425.828 4.488 5 20 IIBD CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 750184762 DZHMJQAZQBQTDU-AWEZNQCLSA-N 434.899 4.020 5 20 IIBD O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCC(OC[C@H]2CCCO2)CC1 751340784 WLWSMVTUTVQECJ-HXUWFJFHSA-N 425.485 4.139 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(-n3cnc4ccccc43)nc2)cc1[N+](=O)[O-] 752196179 VIQFKTAXPNDUCZ-UHFFFAOYSA-N 443.872 4.091 5 20 IIBD O=C(NC1CCCC1)OC[C@@H]1CCCCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 753004794 ZCHVBWAMJLBKSZ-IBGZPJMESA-N 447.535 4.345 5 20 IIBD COc1cc(OCC(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2C)ccc1[N+](=O)[O-] 754220620 SMOUKQOHFDSRGN-UHFFFAOYSA-N 431.445 4.276 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)Nc1ccccc1Br 754986313 VZFSACAYXVDHPD-QMMMGPOBSA-N 445.628 4.334 5 20 IIBD C[C@H]1CN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C[C@H](c2ccsc2)O1 755026619 UKGAOURZPUBCJU-ZUZCIYMTSA-N 426.292 4.413 5 20 IIBD COc1ccc(-c2cc(COC(=O)Cc3ccc([N+](=O)[O-])cc3Br)on2)cc1 756526648 KVKQOHPGROSRFW-UHFFFAOYSA-N 447.241 4.307 5 20 IIBD O=C(NCc1cc(Cl)c2c(c1)OCCCO2)c1cccc([N+](=O)[O-])c1Br 757874041 MTANFZHSPRRUBJ-UHFFFAOYSA-N 441.665 4.102 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Oc2cccc(Br)c2)CC1 759289233 XRVDSOCZNNQJBK-UHFFFAOYSA-N 448.317 4.107 5 20 IIBD CCCN(CC)C(=O)c1ccc(C(=O)O[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 759955527 XUBMWGWBYMYPJW-RBUKOAKNSA-N 428.489 4.004 5 20 IIBD O=C(Nc1ccccc1C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc([N+](=O)[O-])cc1Cl 761412115 GZHLGQRITSAFKC-ZTNFWEORSA-N 443.887 4.188 5 20 IIBD O=c1c2ccsc2ncn1Cc1nc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)no1 761858097 KBZSTDMAQJBAEJ-UHFFFAOYSA-N 447.432 4.257 5 20 IIBD CO[C@H](c1ccc(Br)cc1)c1noc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 762387246 LRKLAIDRIYJOIJ-CQSZACIVSA-N 435.190 4.051 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)c1ccc(C(C)C)cc1 763746544 PLFGRMHPIMPRNR-FQEVSTJZSA-N 429.542 4.233 5 20 IIBD CN1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)c(C(F)(F)F)c2)CC1 764198951 OBNWJBBVUBEHRQ-UHFFFAOYSA-N 442.825 4.271 5 20 IIBD CNc1c(C(=O)OCc2csc(-c3cccc(OC)c3OC)n2)cccc1[N+](=O)[O-] 765522321 NCTAHEWPQWKCID-UHFFFAOYSA-N 429.454 4.134 5 20 IIBD CC(C)n1cc2c(n1)[C@@H](NC(=O)N1CCC(Oc3ccc([N+](=O)[O-])cc3)CC1)CCC2 765920460 FVMCUXLEBJUFCI-FQEVSTJZSA-N 427.505 4.003 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)N(CCNC(=O)OC(C)(C)C)Cc1ccccc1 767033040 AKVJTDZHGGMBRY-UHFFFAOYSA-N 428.489 4.462 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1cc(F)c(N2CCCC2)c(F)c1 769487012 INXDBEAVQRUVJR-UHFFFAOYSA-N 428.395 4.039 5 20 IIBD Cc1cc(S(=O)(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)cc([N+](=O)[O-])c1F 771733129 UZOQQSSKCBNBNN-HNNXBMFYSA-N 445.472 4.056 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCc3c(ncn3-c3ccccc3)C2)CC1 778454331 IVVDYKNXYYXQNC-UHFFFAOYSA-N 445.523 4.215 5 20 IIBD COc1ccccc1-c1nc(C(=O)O[C@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)cs1 778784451 AIAUFOWLPBRGQR-INIZCTEOSA-N 425.466 4.163 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccc(CNC(=O)OC(C)(C)C)nc1C 779052816 MBUKJTZCQRFQJB-CQSZACIVSA-N 430.505 4.182 5 20 IIBD CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 780485141 VYAGSYKARUCJFG-QGZVFWFLSA-N 435.524 4.201 5 20 IIBD O=[N+]([O-])c1ccc(CCc2nc(-c3cccc(CN4CCCCC4)c3)no2)c([N+](=O)[O-])c1 781610465 NGIUPTDJKTZAOD-UHFFFAOYSA-N 437.456 4.324 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(c2ncnc3ccc([N+](=O)[O-])cc23)CC1 782135734 LPRVCHDJMFBHQU-IBGZPJMESA-N 427.505 4.154 5 20 IIBD Cc1c(C(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 782716575 MXBVKAVGWIQZDO-BBATYDOGSA-N 433.848 4.375 5 20 IIBD COc1cc(CNc2ccc(N3CCOCC3)c(C)c2)c([N+](=O)[O-])cc1OCC(F)F 783603387 RSMBKEAUNFYNFD-UHFFFAOYSA-N 437.443 4.004 5 20 IIBD CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 787607989 ZQDRVOYSKCCRDN-NHYWBVRUSA-N 433.427 4.169 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 801091010 RESRQZJVUIIHCH-QHCPKHFHSA-N 430.460 4.364 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 801888901 RINSICYEQCYPPO-UHFFFAOYSA-N 449.442 4.159 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1 805883457 DWCZWFHYDIUUPM-UHFFFAOYSA-N 432.281 4.368 5 20 IIBD C[C@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C(=O)C1(c2ccccc2)CC1 808526335 OJOVRRHXSQYLDD-ZDUSSCGKSA-N 432.270 4.132 5 20 IIBD O=C(N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1cccc(Cl)c1[N+](=O)[O-] 809028186 NVIRGBQIDARTNA-SFHVURJKSA-N 428.794 4.399 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCSC[C@@H]2c2ccccc2)c(Cl)cc1Cl 809817447 BFLQTEOLVRCGJQ-OAHLLOKOSA-N 433.338 4.380 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 810318787 NBMSSIYNHVEQEJ-UHFFFAOYSA-N 432.521 4.412 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)OCC(=O)c1ccc(C(F)(F)F)nc1Cl 811069011 YAYXVAYPTGRYEV-UHFFFAOYSA-N 434.779 4.180 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Cl)cc(Br)c1OC 811723749 XBSJYUXFKJNGRJ-UHFFFAOYSA-N 449.710 4.383 5 20 IIBD C[C@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])c1ccc(-n2cccn2)c(F)c1 814919150 NAAYQTIJLAQUQC-NSHDSACASA-N 440.403 4.089 5 20 IIBD O=C(NCc1nccnc1Cl)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 819741368 HVACGLGXWIXHLA-UHFFFAOYSA-N 432.267 4.234 5 20 IIBD Cc1c(C(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 915294804 NPLLLIZDYJLCTC-HNNXBMFYSA-N 436.424 4.276 5 20 IIBD COc1ccc(OC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c([N+](=O)[O-])c1 915812198 FZWLQLYUQZQMSR-UHFFFAOYSA-N 441.823 4.472 5 20 IIBD C[C@H](NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC(F)(F)F)cc1 918855454 SAKNLBWODJWGKN-JTQLQIEISA-N 446.765 4.181 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cc(C2CC2)nn1-c1ccccc1 918888715 WMFSFWTWNOJIKH-UHFFFAOYSA-N 431.408 4.065 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1F)N[C@@H](c1ccccc1)c1cccc(Cl)c1 919251009 KFLWZFSFWSOGRS-NRFANRHFSA-N 442.830 4.450 5 20 IIBD Cn1c2ccccc2c2cc(C(=O)NS(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])sc21 920332412 ZEWIQICMXGQCGL-UHFFFAOYSA-N 449.897 4.073 5 20 IIBD C[C@H](OC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)C(=O)NCc1ccccc1 920549298 XAGNQRLJGLLTEI-IRXDYDNUSA-N 448.479 4.025 5 20 IIBD CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Oc2cc(Cl)ccc2[N+](=O)[O-])cc1 921135220 ZBYSCUIDMMVMFO-UHFFFAOYSA-N 446.868 4.293 5 20 IIBD COc1ccc(NC(=O)N(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)c([N+](=O)[O-])c1 1263646914 RDYNQRGXZBALFM-UHFFFAOYSA-N 427.436 4.229 5 20 IIBD COc1cc(C(=O)O[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)ccn1 1317952097 NLJMWNHLJOEZDE-IBGZPJMESA-N 441.827 4.189 5 20 IIBD COC(=O)[C@H](OC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1Cl 1318579681 FITLMVPSHVXNOU-QGZVFWFLSA-N 428.224 4.128 5 20 IIBD Cn1c(COc2ccc(Cl)cc2)nn(CN2Cc3ccc([N+](=O)[O-])cc3C2)c1=S 1318893465 NAZPNYGLINRUEQ-UHFFFAOYSA-N 431.905 4.065 5 20 IIBD C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1N)c1cccc(N2CCCC2)c1 1321774450 JINZSOQTXSQLAS-LBPRGKRZSA-N 433.306 4.031 5 20 IIBD Cc1csc(Nc2ccc(C(=O)N3CCN(Cc4cccc([N+](=O)[O-])c4)CC3)cc2)n1 1324159263 SXDJIUQGAQEKLK-UHFFFAOYSA-N 437.525 4.061 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(-c2nnn(-c3cccc4cccnc34)c2C)n1 1337927944 CXOLSFRYDJERNI-UHFFFAOYSA-N 427.424 4.366 5 20 IIBD Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2ccsc2)cc(Cl)cc1[N+](=O)[O-] 1796269072 ODRFNEWTTSHQJG-BJWYYQGGSA-N 447.944 4.113 5 20 IIBD Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2CCC[C@@H]2C)C3)cc(Cl)cc1[N+](=O)[O-] 1800712307 ZINLFTIQHPBBIR-LKIBZCMFSA-N 433.936 4.245 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C2CC2)cc1)c1cccc(F)c1[N+](=O)[O-] 1800730126 ICFJYZKRDRVUPZ-REPLKXPHSA-N 437.471 4.177 5 20 IIBD CC(C)/C=C/C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])[nH]n1 1823089914 XYNYOWUIUMACLA-UFQYPZOWSA-N 437.500 4.236 5 20 IIBD C[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1)c1cccs1 1829835984 ODZXYEGJTGIAHF-YJBOKZPZSA-N 444.557 4.021 5 20 IIBD C[C@H]1CCC[C@H]1C(=O)N1CC2(CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 1845739054 HHYIKMITVQNGNB-WMLDXEAASA-N 427.526 4.063 5 20 IIBD O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 10593211 LIZZCONAGAZSAM-UHFFFAOYSA-N 428.876 4.228 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 12216999 LQPJRVXUOQFGMW-UHFFFAOYSA-N 439.493 4.371 5 20 IIBD COc1cc(C(=O)NCCc2ccc(-c3csc(C)n3)s2)c([N+](=O)[O-])cc1OC 12396368 UHBHQXKAJQFKKS-UHFFFAOYSA-N 433.511 4.078 5 20 IIBD CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccc(F)cc1 14081580 QLQFXUBWZPXKKK-UHFFFAOYSA-N 435.868 4.397 5 20 IIBD Cc1ccc(F)cc1NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 15592056 HBVRPFUJTDYBGL-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD C[C@@H](Sc1nnc(NC2CCCCC2)s1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 21681863 APRBDLYBQPCAIZ-SNVBAGLBSA-N 425.511 4.449 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)COc2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-] 22465817 HVMPONVJXSIUAH-LLVKDONJSA-N 427.240 4.159 5 20 IIBD O=C(CSc1ccccc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 22924109 LXSIBSODXFFLPO-UHFFFAOYSA-N 425.432 4.055 5 20 IIBD COc1ccc(C2=NN(C(=O)COc3ccc([N+](=O)[O-])c(C)c3)[C@@H](c3ccco3)C2)cc1 23268126 BWSYBHQJTZKTGW-OAQYLSRUSA-N 435.436 4.262 5 20 IIBD O=C(c1cc(NCC2CCN(Cc3cccs3)CC2)ccc1[N+](=O)[O-])N1CCCC1 60864704 VFJLAJHPXXKWKD-UHFFFAOYSA-N 428.558 4.216 5 20 IIBD CCOC(=O)CN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(F)cc1 64933747 QWLCOBVQSGFFPI-UHFFFAOYSA-N 429.429 4.067 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCCCCOCc1ccccc1 65229695 TXHQTOIAGZIDAT-UHFFFAOYSA-N 447.557 4.178 5 20 IIBD CCN(Cc1ccc(CN(C)C)cc1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 72092510 UHABAXSCPKDIEU-UHFFFAOYSA-N 427.548 4.265 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@@H]1c1nc2ccccc2s1 98069252 SWEDFQDNIZRYFY-SUMWQHHRSA-N 426.498 4.377 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(C)c(C(F)(F)F)c2)ccc1[N+](=O)[O-] 110323160 UCBDXBXNQGDFFC-GOSISDBHSA-N 435.402 4.474 5 20 IIBD O=C(NCCNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1cccs1 238128512 FKJBJPVGXXLGPE-UHFFFAOYSA-N 447.520 4.029 5 20 IIBD Cc1nnc(Sc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])n1[C@@H]1CCC[C@@H](C)C1 301823947 CTKIGNGJBWLGEK-CZUORRHYSA-N 440.529 4.362 5 20 IIBD COc1cc(Br)ccc1CCCNc1cc2ncnc(O)c2cc1[N+](=O)[O-] 302143001 JYYJODAFENJGAI-UHFFFAOYSA-N 433.262 4.059 5 20 IIBD CN(C(=O)CSc1nnc(-c2ccc(Br)cc2)o1)c1ccc([N+](=O)[O-])cc1 302922260 SIWVIKYXUJHVIT-UHFFFAOYSA-N 449.286 4.162 5 20 IIBD C[C@@H](c1ccc(Br)cc1)[S@](=O)CCC(=O)Nc1ccccc1[N+](=O)[O-] 427186391 RQKOYPFCQCCOHJ-UOXLDJKESA-N 425.304 4.196 5 20 IIBD Cc1c(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cccc1N1CCNC1=O 427984426 MYDIVSPJHUNFAJ-UHFFFAOYSA-N 448.429 4.050 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)ccc1Oc1ccncc1 428199196 LZLAFBADMARZBO-UHFFFAOYSA-N 425.466 4.427 5 20 IIBD Cc1cccc(S(=O)(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1Br 430083274 VJFZUNILZRLWOE-UHFFFAOYSA-N 428.289 4.076 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(=O)N[C@@H]1C[C@H]1c1ccccc1 430529037 CXAHVLKKBCGICB-JKSUJKDBSA-N 439.518 4.418 5 20 IIBD COc1ccc(CNC(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)cc1[N+](=O)[O-] 430643829 MKZJHYLEOJOBCE-UHFFFAOYSA-N 445.431 4.167 5 20 IIBD CCOc1cc(CS(=O)(=O)Cc2csc(-c3ccc(OC)cc3)n2)ccc1[N+](=O)[O-] 434637172 LZLMFILOQVGKRK-UHFFFAOYSA-N 448.522 4.241 5 20 IIBD O=C(Nc1nc([C@H]2C[C@H]3CC[C@H]2C3)cs1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 435015840 IZSDHBFLYQQXTN-YEWWUXTCSA-N 440.525 4.085 5 20 IIBD CCn1nccc1C1CCN(Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])CC1 435035538 IEGNTCKEJBKNSN-UHFFFAOYSA-N 442.438 4.141 5 20 IIBD COc1cc(NC(C)=O)ccc1NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 435439877 XQDPSZUURVRHRN-GJZGRUSLSA-N 440.500 4.296 5 20 IIBD O=C(NCCc1cnn(-c2ccccc2)c1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 435950135 PLBLWECVBSVLDJ-UHFFFAOYSA-N 444.441 4.118 5 20 IIBD C[C@@H]1CSc2ccccc2N1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 439140525 KBQIWZZTXRTWNC-SNVBAGLBSA-N 429.317 4.047 5 20 IIBD CC[C@@H](Cc1ccccc1Br)N(C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C 441878345 KNWLMUXTCIAESK-HNNXBMFYSA-N 448.317 4.084 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Cc1cc(-c2cccs2)on1 443201845 SZEAQTMMKGZJLC-UHFFFAOYSA-N 429.273 4.048 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCc2ccc(F)c(F)c2C1 444251051 PVJXLWWWMBQPFZ-UHFFFAOYSA-N 426.369 4.436 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cn(C)c2cc(Cl)ccc12 444434443 KGTRDZVGMZMKFL-UHFFFAOYSA-N 447.944 4.451 5 20 IIBD Cc1cccc(C)c1NC(=O)Cc1noc(CCOc2ccc(Cl)cc2[N+](=O)[O-])n1 445319145 PVQGZOQDCODQQN-UHFFFAOYSA-N 430.848 4.051 5 20 IIBD O=C(Cc1noc([C@H]2C[C@H]2c2cccc(C(F)(F)F)c2)n1)NCc1ccc([N+](=O)[O-])cc1 445714558 SSZSGIAHTUSUIY-IRXDYDNUSA-N 446.385 4.127 5 20 IIBD Cc1cc(Br)c(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)cc1Cl 445959321 HOCCUKFYBTVGBQ-UHFFFAOYSA-N 436.653 4.152 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2cnn(C)c2C(F)(F)F)cc1[N+](=O)[O-])c1ccccn1 446368437 GAIVAMSRDRJUNB-NSHDSACASA-N 434.378 4.168 5 20 IIBD CN(CC1CCN(c2ccncc2)CC1)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] 447680312 NWOCPNRSPXNGII-UHFFFAOYSA-N 445.392 4.392 5 20 IIBD C[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)Oc1ccc(Br)cc1 462953007 LTMRUHJVOMJVOH-AWEZNQCLSA-N 448.317 4.473 5 20 IIBD CNc1c(C(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)cccc1[N+](=O)[O-] 462995908 QRBMBASSNGPAEQ-UHFFFAOYSA-N 425.832 4.190 5 20 IIBD COC(=O)c1cc(-c2nc(-c3ccc4nc(-c5cscn5)[nH]c4c3)no2)cc([N+](=O)[O-])c1 463192242 RMSSYVPKJQREBJ-UHFFFAOYSA-N 448.420 4.098 5 20 IIBD CC(C)(C)Oc1cccc(CCC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 467325391 APKHXETXPHSZRY-UHFFFAOYSA-N 427.501 4.170 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC1(Sc2ccccc2)CCCC1 469064751 VLOBVKDUNVFSKS-KRWDZBQOSA-N 431.562 4.049 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](OCc2ccccc2)C1(C)C 471690666 YHMDYFXAWYPJSW-RTWAWAEBSA-N 444.553 4.447 5 20 IIBD CO[C@@H](C)C(=O)Nc1cccc(NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 475223674 KURICCSCEOHNSB-JTQLQIEISA-N 426.351 4.231 5 20 IIBD O=C(c1ccc(-c2ccccc2Cl)o1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 478567083 YLTRZTJVVOEURC-UHFFFAOYSA-N 445.884 4.168 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)NCCCOc2ccc(C(F)(F)F)cn2)cc1[N+](=O)[O-] 479704513 WVPKJRSINDDAJM-CYBMUJFWSA-N 426.395 4.146 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 484144197 JZQHUUCTAMNNIW-MRXNPFEDSA-N 427.526 4.222 5 20 IIBD O=C(Nc1ccnn1Cc1cccc2ccccc12)c1ccn(-c2ccccc2[N+](=O)[O-])n1 485872071 UYHJKEYDSSZHCH-UHFFFAOYSA-N 438.447 4.431 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1SC 487284654 FCMXEEGWNGFKPX-UHFFFAOYSA-N 444.435 4.018 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 488282940 RPBNPMAOWWUOFJ-GASCZTMLSA-N 443.525 4.209 5 20 IIBD CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 488388655 XMNDSZJWRDKNQC-IBGZPJMESA-N 444.963 4.344 5 20 IIBD COc1cccc(CN(C[C@H]2CCCO2)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 493007170 XNPDIJPMUDIUJH-DYESRHJHSA-N 427.501 4.364 5 20 IIBD O=C(CN[C@H]1CCC[C@@H]1Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Br 493388823 RZLYRUSXQWVHFO-QAPCUYQASA-N 432.318 4.297 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 494510482 VFOQQQJJZUQFDZ-CQSZACIVSA-N 442.859 4.102 5 20 IIBD CN(C)[C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1Cl 496389899 HMLWRJVVKGCBJJ-GOSISDBHSA-N 430.917 4.404 5 20 IIBD CO[C@H](C)CN(C)C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 497825704 HCNNWDTXIUBMHE-GFCCVEGCSA-N 425.844 4.356 5 20 IIBD O=C(Cc1ccccc1[N+](=O)[O-])N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1 497929990 NUKXRSOPVLFFQC-UHFFFAOYSA-N 449.482 4.204 5 20 IIBD O=C(CCN1CCCCC1)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 498286956 ITSKBNFPFHOHFZ-UHFFFAOYSA-N 447.495 4.210 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](c1cccc(F)c1)c1ccccn1 498878873 FJIGBAQAKYXTOJ-RBZFPXEDSA-N 429.835 4.455 5 20 IIBD Cc1ccc(C[C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 500135342 GIFTZWHKLKMBRC-MRXNPFEDSA-N 439.331 4.062 5 20 IIBD Cc1cc(C(=O)N2CCOC[C@H]2c2c(C)nn(-c3ccccc3F)c2C)cc([N+](=O)[O-])c1 501199630 NXEZHQROVNJYSP-NRFANRHFSA-N 438.459 4.059 5 20 IIBD CC(C)N1CCN(c2cccc(NCc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)c2)CC1 503267123 SZUGXBCLUSWWKA-UHFFFAOYSA-N 434.544 4.138 5 20 IIBD COc1ccc(CN2CCC(N3CCCC3)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 506434317 UWAPOMNVSZGABH-UHFFFAOYSA-N 425.529 4.243 5 20 IIBD O=C(Nc1cccc(Br)c1)C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 507279580 OIAHKDCLSZGNQM-UHFFFAOYSA-N 448.317 4.087 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)c([N+](=O)[O-])c1 509575461 WBOCWSSLTGNNGO-UHFFFAOYSA-N 443.456 4.024 5 20 IIBD O=C(Nc1c(-c2cccs2)nc2ccccn12)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 509809139 QGRJAEJWILBTAC-UHFFFAOYSA-N 430.449 4.409 5 20 IIBD COc1cc(C(=O)N[C@H](C)c2ccc(F)cc2F)c([N+](=O)[O-])cc1OCc1cscn1 509879184 RGDMWSPGNWQDAU-LLVKDONJSA-N 449.435 4.408 5 20 IIBD Cc1c(C(=O)N(Cc2ccc3ccccc3c2)C2CC2)nnn1-c1cccc([N+](=O)[O-])c1 510113065 OEYLESXSKGMZHS-UHFFFAOYSA-N 427.464 4.442 5 20 IIBD Cc1ccc(-c2csc3ncn(Cc4nc(-c5cccc([N+](=O)[O-])c5)no4)c(=O)c23)cc1 514904210 ZMDQPUHSWFPFKD-UHFFFAOYSA-N 445.460 4.440 5 20 IIBD C[C@H]1CCCCN1CCCNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 516382189 HEEXJFPBNWDNIF-ZWKOTPCHSA-N 425.533 4.157 5 20 IIBD COc1ccc(CNC(=O)CCSc2ccccc2Br)cc1[N+](=O)[O-] 516536408 GTERPGVLUUWJKG-UHFFFAOYSA-N 425.304 4.165 5 20 IIBD O=C(Nc1cccc(CSc2ccccn2)c1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 517560204 XPVIIDNOXMWZFO-UHFFFAOYSA-N 432.465 4.115 5 20 IIBD CC(C)N(CC(=O)Nc1ccnn1Cc1ccccc1Cl)Cc1ccc([N+](=O)[O-])cc1 517832090 SYBOFMYQSJCRSW-UHFFFAOYSA-N 441.919 4.342 5 20 IIBD Cc1nn(CCC(=O)N[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)c(C)c1[N+](=O)[O-] 519133200 QBZNKRQIFIBHNU-INIZCTEOSA-N 443.504 4.255 5 20 IIBD COc1cc(CNCc2cn3ccc(C)cc3n2)c([N+](=O)[O-])cc1OCc1ccccc1 520214724 WZFAGRDRSHIMNI-UHFFFAOYSA-N 432.480 4.428 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1 521250988 YZHNWVUVDGHWRQ-OAHLLOKOSA-N 445.903 4.209 5 20 IIBD Cc1ccc(Br)cc1NC(=O)CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 522841335 XEDBTGDZXDYUCI-UHFFFAOYSA-N 441.669 4.079 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OCCc3ccccc3)nc2)cc1OC 522946035 IYUNMBWZWLLGNU-UHFFFAOYSA-N 437.452 4.271 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCNC(=O)[C@H]2c2ccccc2)cc1[N+](=O)[O-] 523321307 CRRFMDXMFKXSGP-HXUWFJFHSA-N 427.526 4.046 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 524339115 WYTGAYJXRGODOU-HNNXBMFYSA-N 436.295 4.070 5 20 IIBD CC[C@@H](C)[C@H](NC(=O)c1cc(C)ccc1[N+](=O)[O-])C(=O)Nc1cccc(N2CCCC2)c1 525650601 DSVSOSCOIFHFNH-VGSWGCGISA-N 438.528 4.287 5 20 IIBD CCOC(=O)[C@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc21 527082852 FRLDJXGLGZUICN-HNNXBMFYSA-N 434.901 4.424 5 20 IIBD CN([C@H](c1ccncc1)c1ccc(Cl)cc1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 531381296 AQOJQKDJTPCOPC-SFHVURJKSA-N 435.864 4.192 5 20 IIBD COc1ccc(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c(I)c1 532110713 ZYUDLNVMHSTRDK-UHFFFAOYSA-N 426.210 4.077 5 20 IIBD CCC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1 534050098 HLOWFPRCULMONG-ZDUSSCGKSA-N 439.921 4.109 5 20 IIBD O=C(Cc1csc(COc2ccc(Cl)cc2)n1)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 534745030 DPIRRGQAGPDCER-UHFFFAOYSA-N 443.872 4.341 5 20 IIBD CCOc1ccccc1Oc1ccc(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)cn1 535338536 YTPBWKFGAXUKQY-UHFFFAOYSA-N 436.468 4.223 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCC1(c2ccc(F)cc2F)CC1 535641905 CPMANRHOLDXXOS-UHFFFAOYSA-N 425.229 4.026 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 535801866 BFBLCZWCMVJYRA-UHFFFAOYSA-N 430.289 4.143 5 20 IIBD NC(=O)c1ccc(NCc2ccccc2)c(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c1 536512910 GVAMCJNESQYRSV-UHFFFAOYSA-N 429.436 4.039 5 20 IIBD COc1cc(F)c([C@@H](C)NCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1OC 537084985 HBVBZNSQBWZZMY-SNVBAGLBSA-N 430.379 4.212 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cccc(CN3CCSCC3)c2C)c1 537271465 PIBLHIAVKXSSTF-UHFFFAOYSA-N 429.542 4.168 5 20 IIBD COc1cc(CNc2nnc(Cc3ccsc3)o2)c([N+](=O)[O-])cc1OCC(F)(F)F 537490886 SUOKZACFVOYJAF-UHFFFAOYSA-N 444.391 4.192 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 537639831 NKPWHYOLZCAWMI-OAHLLOKOSA-N 430.892 4.059 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN(C(=O)c2cc([N+](=O)[O-])cc4c2OCCO4)C3)cs1 539033036 UJAKNRCRPSMSPU-UHFFFAOYSA-N 443.506 4.058 5 20 IIBD O=C(N[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 539697562 RACLYMXFRTUKIL-ZBFHGGJFSA-N 436.386 4.451 5 20 IIBD O=C(c1ncoc1-c1cccc(C(F)(F)F)c1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 541294619 VNDSUASDOXRNJF-UHFFFAOYSA-N 446.385 4.231 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 542423552 GTLYPGYENRGZNY-FQMRQNGRSA-N 449.532 4.365 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)cc1 542682814 UVUOTGLEXSUDJK-GOSISDBHSA-N 429.325 4.416 5 20 IIBD COc1ccc(CSCc2nc([C@@H]3CCN(C)c4ccccc43)no2)cc1[N+](=O)[O-] 546350913 HZEJLWGLGSZGCY-MRXNPFEDSA-N 426.498 4.392 5 20 IIBD COc1cc(CCNC(=O)N2CCCCC[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OC 549931041 IZVBIIHAASNFCN-IBGZPJMESA-N 427.501 4.481 5 20 IIBD CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c1 550596947 DFATXQMPBSOLLE-GFCCVEGCSA-N 448.317 4.124 5 20 IIBD C[C@H](CC(C)(C)c1c[nH]c2ccccc12)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 550901482 IJUAEXOUQHLPIM-MRXNPFEDSA-N 429.542 4.196 5 20 IIBD O=C(CN1CCC(F)(c2cccnc2)CC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 551734766 LMAXPMBUODCNQH-UHFFFAOYSA-N 441.488 4.013 5 20 IIBD CC(C)(C(=O)N1CCOc2ccc(Br)cc2C1)c1ccc([N+](=O)[O-])cc1F 555203320 CMYPYCLPONZPLH-UHFFFAOYSA-N 437.265 4.195 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCCN(c2ccccc2Cl)CC1 560514189 UGUSDBHLDIUZDQ-UHFFFAOYSA-N 442.947 4.204 5 20 IIBD COc1ccccc1[C@@H](CN[C@H](c1ccc([N+](=O)[O-])cc1)c1nccn1C)N1CCCCC1 560518700 RYTHOTHPESSKBS-ISKFKSNPSA-N 449.555 4.243 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)OC)CC1 561281005 QRXAEXIKADZHMS-UHFFFAOYSA-N 445.541 4.273 5 20 IIBD NC(=O)c1ccc(OCC(F)F)c(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 562080449 WAZXQQDCADFPSL-UHFFFAOYSA-N 434.424 4.073 5 20 IIBD O=C1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C2(CCC2)N1 566394678 WCOBACDSXSEUKA-GOSISDBHSA-N 445.928 4.331 5 20 IIBD C[C@H](C(=O)Nc1cccc(NS(=O)(=O)Cc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 568783756 CKUJYCRQMFNATR-INIZCTEOSA-N 439.493 4.279 5 20 IIBD Cc1cc(N2CCCCCC2)ccc1NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 572067318 QPWNRDHOBDQDLT-UHFFFAOYSA-N 442.541 4.113 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2c2nc(-c3ccc(N(C)C)cc3F)no2)ccc1[N+](=O)[O-] 583466533 LXHDVCLFMHUTEO-IBGZPJMESA-N 439.447 4.136 5 20 IIBD COc1cccc(C(F)(F)CNC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)n1 588038242 ZCYQBAVYSAVDJE-UHFFFAOYSA-N 425.457 4.268 5 20 IIBD O=C(NC[C@H](CO)c1ccc(Cl)cc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 588786857 YWRXCAKJFVSGJJ-GOSISDBHSA-N 440.883 4.333 5 20 IIBD CSC1(CNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CCN(C)CC1 589477218 NMWKWTIRAMIQDM-UHFFFAOYSA-N 431.583 4.303 5 20 IIBD COc1cc(OC)cc(-c2nnc(S[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)o2)c1 596617268 GFAHUGJGZLGWIE-LBPRGKRZSA-N 444.469 4.090 5 20 IIBD COc1cc(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)c([N+](=O)[O-])cc1OC(F)F 603496559 UOIFZNIWBRUPOP-AWEZNQCLSA-N 438.383 4.015 5 20 IIBD COc1ccc(CCN(Cc2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 608913296 RAGIRLNULFZWPU-UHFFFAOYSA-N 426.494 4.037 5 20 IIBD Cn1cc(C(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 608963438 RTDMBEYURCAKTJ-LJQANCHMSA-N 444.850 4.002 5 20 IIBD COc1ccc(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)cc1OCc1ccc2ccccc2n1 609067025 XMFXDWAOUDWBRD-UHFFFAOYSA-N 447.451 4.025 5 20 IIBD CCOCCOc1ccc(Cl)cc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 609103746 WLOQIYPXOUSGHU-UHFFFAOYSA-N 430.848 4.102 5 20 IIBD COc1ccc(S(=O)(=O)Nc2nc3ccccc3n2C2CCCCC2)cc1[N+](=O)[O-] 609322021 SBJPJJIVCKHRIS-UHFFFAOYSA-N 430.486 4.259 5 20 IIBD CCc1ccc(-c2csc(NC(=O)[C@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)n2)s1 609414132 DWEVOEYNQYKBBL-NSHDSACASA-N 430.511 4.099 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(OC)c(Cc2ccccc2)c1 609841841 SBCQSDFERARSIV-IBGZPJMESA-N 437.500 4.065 5 20 IIBD COc1cc(Cl)c(C(=O)COc2ccc([N+](=O)[O-])cc2Br)cc1OC 609961725 CHUDBPQCDMKWTN-UHFFFAOYSA-N 430.638 4.290 5 20 IIBD CN(Cc1ccccc1NC(=O)CCNc1ccccc1[N+](=O)[O-])C(=O)c1cccs1 609981515 LPHXTTZSPUJNAG-UHFFFAOYSA-N 438.509 4.369 5 20 IIBD CC(C)(C(=O)N1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1)c1ccc([N+](=O)[O-])cc1 610063369 DCTZVNRUPLPALI-INIZCTEOSA-N 442.491 4.072 5 20 IIBD COCCN(C(=O)c1c(C)noc1C(F)F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 610432170 PMMHTEDVQQBLHH-UHFFFAOYSA-N 438.412 4.246 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 610498886 DNDRWQLISSJKBK-LJQANCHMSA-N 425.485 4.149 5 20 IIBD COc1ccc(CSCC(=O)NCc2c(C(=O)O)sc3ccccc23)cc1[N+](=O)[O-] 610851889 HCXWQGYONAYZMK-UHFFFAOYSA-N 446.506 4.066 5 20 IIBD CS(=O)(=O)c1cccc([C@@H](Nc2ncnc3ccc([N+](=O)[O-])cc23)c2ccccc2)c1 611709984 YMLRCGJDXBOGKE-NRFANRHFSA-N 434.477 4.143 5 20 IIBD COc1cc(Cc2noc(-c3cc(-c4ccccc4F)on3)n2)c([N+](=O)[O-])c(OC)c1 618438701 CWSKVXGVOUXYBO-UHFFFAOYSA-N 426.360 4.047 5 20 IIBD COc1cc(C(=O)OCC(=O)N[C@H](c2ccccc2)C2CCCCC2)ccc1[N+](=O)[O-] 725946591 WUOQWIAHMDOSPI-JOCHJYFZSA-N 426.469 4.198 5 20 IIBD CC[C@@H](C)n1ncc2c(C(=O)OCc3nc(-c4ccc([N+](=O)[O-])cc4)no3)cc(C)nc21 725960364 SWNJCLJAAHGHMF-CYBMUJFWSA-N 436.428 4.026 5 20 IIBD Cc1cc(C)c(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Br)c(Cl)c1 725985038 NYXVFSOUMKXEPH-UHFFFAOYSA-N 441.665 4.423 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cn1 727339306 GVVBADAMKUUZDC-UHFFFAOYSA-N 437.250 4.352 5 20 IIBD O=C(CCn1cc(Br)cn1)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 728164977 FGMBFZSQYQQDEW-UHFFFAOYSA-N 427.686 4.041 5 20 IIBD O=C(c1ccc(I)c([N+](=O)[O-])c1)N(Cc1ccccc1F)C1CC1 729258544 BJDGZGYPIHDICF-UHFFFAOYSA-N 440.212 4.143 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1C 730688765 LIZIBBUIGKEMOF-GJZGRUSLSA-N 443.308 4.127 5 20 IIBD O=C(CSCc1cccc(Cl)c1)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730705514 PARRHGIYQBFGBJ-QGZVFWFLSA-N 448.928 4.329 5 20 IIBD CC(=O)c1ccc(-c2ccc(C(=O)O[C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)o2)cc1 731502445 NFQNANBCQVZOLB-HXUWFJFHSA-N 434.404 4.020 5 20 IIBD C[C@@H](OC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1nc2ccc(Cl)cc2[nH]1 732520081 AZNUAVBHFHBOOT-LLVKDONJSA-N 425.832 4.443 5 20 IIBD CC(C)OC(=O)N1CCC(OC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 733062449 OMAFWJATXHLYTP-UHFFFAOYSA-N 441.484 4.373 5 20 IIBD CCc1ccc(OC(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)c([N+](=O)[O-])c1 734739680 KJYBVZBWQVOUCY-UHFFFAOYSA-N 440.905 4.059 5 20 IIBD C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-] 734886590 BUYDCVUPHBRFDZ-NSHDSACASA-N 426.853 4.191 5 20 IIBD COCc1nc(OC)c2c(C)c(C(=O)OCc3ccc(Cl)c([N+](=O)[O-])c3)sc2n1 735902522 DKMYAYQYWAGQPW-UHFFFAOYSA-N 437.861 4.073 5 20 IIBD CSCC[C@@H](C)NC(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 736406639 FOJXLDHGCODLOU-MRXNPFEDSA-N 448.614 4.292 5 20 IIBD CN1C(=O)C[C@@H](COC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@@H]1c1cccc(Cl)c1 737382962 UZAZQYHEIOSJSN-RBZFPXEDSA-N 427.844 4.106 5 20 IIBD O=C(NCc1ccc(Br)cc1F)c1ccc([N+](=O)[O-])cc1Br 739568332 UIXUQMGZYITBDW-UHFFFAOYSA-N 432.043 4.189 5 20 IIBD O=C1CC[C@@]2(C(=O)OCc3ccc([N+](=O)[O-])cc3Br)Sc3ccccc3N12 739579869 NDBXHQQTTCNEDN-SFHVURJKSA-N 449.282 4.030 5 20 IIBD CC(C)[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)N[C@H]1CCCC[C@@H]1C 740410341 OFUWDLBBLHFWKK-ZLIFDBKOSA-N 441.322 4.234 5 20 IIBD O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)c1cc([N+](=O)[O-])ccc1Br 741585931 DDLNOQNJMNQDMR-GFCCVEGCSA-N 438.709 4.410 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N2C[C@H](C)CCC[C@H]2C)cc1 741609243 ABIOUJHIEPSJSP-NVXWUHKLSA-N 446.525 4.322 5 20 IIBD C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 741999277 OEAPXKLYIHZCDH-VBGPOXQHSA-N 444.329 4.276 5 20 IIBD COc1ccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1N1CCOC1=O 742713340 IGANTAPNKOYFGZ-UHFFFAOYSA-N 426.454 4.296 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cccc(Cl)c3C(N)=O)cc2[N+](=O)[O-])C1 742832314 NXFPBYDIAJLIFL-STQMWFEESA-N 430.892 4.082 5 20 IIBD Cc1ccc(S(=O)(=O)c2ccc(COC(=O)Cc3cccc([N+](=O)[O-])c3)cc2)cc1 745332123 VHKMEYKIOCNQPM-UHFFFAOYSA-N 425.462 4.022 5 20 IIBD O=C(COc1cccc(NC(=O)c2ccco2)c1)OCc1cc(Cl)ccc1[N+](=O)[O-] 746066174 ZEMPTXHTMIZUIZ-UHFFFAOYSA-N 430.800 4.216 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] 749953689 IMEVYHKACITNGR-UHFFFAOYSA-N 440.681 4.078 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C 750575826 BEVAAPHCMFFXGU-VKJFTORMSA-N 437.562 4.370 5 20 IIBD O=C(OCc1cccc(C(=O)N2CCCCC2)c1)c1ccc(Br)cc1[N+](=O)[O-] 750962977 BPRDJLRWQCQIPB-UHFFFAOYSA-N 447.285 4.340 5 20 IIBD C[C@H](OC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)Nc1cccc2ncccc12 750964147 HWMBEHBBRGBMNV-NSHDSACASA-N 444.241 4.090 5 20 IIBD CC(C)C1CCC(N2CCN([C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CC2)CC1 753426430 XEMPRVZFJDWETL-WWDZGPRUSA-N 436.984 4.408 5 20 IIBD C[C@H](N[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 754311055 DORWCUZLCZUYPG-HLLBOEOZSA-N 445.520 4.331 5 20 IIBD COC[C@H](N[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1ccco1 754332907 JSSWJCXAPJDFFK-FXAWDEMLSA-N 429.860 4.498 5 20 IIBD CCOC(=O)c1nc(-c2ccccc2)oc1COC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F 755066890 HHZXBXUMPTZEDA-CYBMUJFWSA-N 442.399 4.413 5 20 IIBD C[C@@H](C(=O)OCC(=O)Nc1ncc(C(F)(F)F)cc1Cl)c1ccc([N+](=O)[O-])cc1F 755067148 UESSCIXFAAEJMX-MRVPVSSYSA-N 449.744 4.087 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1cc(F)ccc1Oc1ccccc1 757277217 SXQJGZHHPVORSM-UHFFFAOYSA-N 443.818 4.435 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 758620003 PLXYVYKAFXPXSO-CRAIPNDOSA-N 442.896 4.237 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N2CCCCC[C@@H]2C[C@H](O)c2ccco2)c([N+](=O)[O-])c1 759248561 PRDUKDBCPKLTDK-XLIONFOSSA-N 438.484 4.025 5 20 IIBD CC(C)c1c(C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cnn1-c1ccccn1 760498738 USMFJJWPJQKXOR-UHFFFAOYSA-N 433.424 4.311 5 20 IIBD CC(C)=CC(=O)NCc1ccc(C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 760527209 DMQAVPQGOBGIEN-UHFFFAOYSA-N 435.436 4.189 5 20 IIBD Cn1c(C(=O)OCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)ccc1[N+](=O)[O-] 761053100 DMHIDTSVJHBXLB-UHFFFAOYSA-N 441.054 4.342 5 20 IIBD Cc1ccc([C@H](C)NC(=O)c2ccnc(Cl)c2I)cc1[N+](=O)[O-] 764514080 TYQNXYFULNXOKJ-VIFPVBQESA-N 445.644 4.047 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnc(-c3ccccc3)s2)cc1Br 768283913 WPAZKAXJCVNBEU-UHFFFAOYSA-N 440.300 4.282 5 20 IIBD CC(C)OC[C@@H]1CN([C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)CCO1 770706596 ADFLAISOQPVLNO-GHTZIAJQSA-N 447.919 4.054 5 20 IIBD COc1cc(CN(C)Cc2ncc(Cl)n2C)ccc1OCc1ccc([N+](=O)[O-])cc1 779160613 GLGQMWMUKPXRJU-UHFFFAOYSA-N 430.892 4.201 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)c1noc2c1CCCCC2)c1cccc([N+](=O)[O-])c1 780401855 MKUXWQCCGUJFSY-QGZVFWFLSA-N 441.484 4.094 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 780772669 DZZGSEITTDBONR-UHFFFAOYSA-N 426.473 4.476 5 20 IIBD CC(C)(C)OC(=O)NCc1cc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)co1 780802984 UBBIJDZCUQNRHY-SFHVURJKSA-N 433.486 4.100 5 20 IIBD COc1cc(NC(=O)c2ccco2)c(C(=O)OCc2ccc([N+](=O)[O-])c(C)c2)cc1OC 781468421 GMZIIEGBCXUVQN-UHFFFAOYSA-N 440.408 4.123 5 20 IIBD O=C(c1ncoc1-c1cccc(C(F)(F)F)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 783715317 WCWIMABPGZCLFY-UHFFFAOYSA-N 446.385 4.231 5 20 IIBD C[C@H](OC(=O)c1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1)c1cccc([N+](=O)[O-])c1 784853095 WRKDAERMKJPQBZ-KXBFYZLASA-N 444.488 4.281 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)Nc2cccc3ccsc23)cc1[N+](=O)[O-] 785278071 ODJSMKDQWDXQTN-UHFFFAOYSA-N 434.271 4.458 5 20 IIBD Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 786116279 PEVBXMBHTKEFNW-UHFFFAOYSA-N 435.849 4.190 5 20 IIBD O=C(O[C@@H]1CCO[C@H](C2CCOCC2)C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 786496672 KYGXLGGIQRNYON-OFNKIYASSA-N 441.480 4.305 5 20 IIBD C[C@H](Nc1ccc(C(=O)Oc2ccc(-c3ncn(C)n3)cc2)cc1[N+](=O)[O-])c1ccccn1 787097896 FCAZQLYEKLSWEO-HNNXBMFYSA-N 444.451 4.178 5 20 IIBD CN(Cc1ccc(F)cc1Br)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790570009 HGVCMVBOWQMUPY-UHFFFAOYSA-N 433.636 4.490 5 20 IIBD CCS[C@@H](C)c1noc(CN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)n1 792914621 QKRGTYYHQGKTQM-JTQLQIEISA-N 427.324 4.113 5 20 IIBD CCN(Cc1c(F)cccc1F)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O 795420719 GMCGIZVSISXYLP-UHFFFAOYSA-N 440.244 4.071 5 20 IIBD CCc1[nH]nc(C(=O)O[C@@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1[N+](=O)[O-] 795616434 SWROPYPOFNYGPK-LURJTMIESA-N 435.651 4.025 5 20 IIBD O=C(COC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Cc1cccc(Br)c1 795643389 WDEGSAIFXOLGPZ-UHFFFAOYSA-N 444.640 4.047 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H](c1ccc(F)cc1)c1cccs1 800596061 PYYNUEKKZATQGG-GOSISDBHSA-N 431.420 4.087 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)c1F 803458166 HDMPXYRHCUUPQB-HNNXBMFYSA-N 429.448 4.217 5 20 IIBD CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl 805297722 JVJWUMKVPSSAKH-HNNXBMFYSA-N 425.913 4.087 5 20 IIBD C[C@H](C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H](C)NC(=O)OC(C)(C)C 811216017 CQXSOTJBAITHQR-QWHCGFSZSA-N 435.502 4.311 5 20 IIBD O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 811480986 LOWCEQNUHBXTSX-CQSZACIVSA-N 433.675 4.149 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@H](C)[C@H](O)c3ccccc3)cc2[N+](=O)[O-])n1 811538925 SYSGOYVKOUWQOR-ACJLOTCBSA-N 429.523 4.363 5 20 IIBD COCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 812064534 CEGYGKPBJMKQBM-UHFFFAOYSA-N 446.511 4.035 5 20 IIBD COc1ccc(-c2cnc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)n2C)cc1 819422093 UOKIGKYIOCRYMV-UHFFFAOYSA-N 435.484 4.247 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 828786774 NMXYDWUJKZRQGR-UHFFFAOYSA-N 446.868 4.406 5 20 IIBD CC(C)[C@@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)N(C)c1ccccc1 876754957 VOLPFYZDRKTPQW-QGZVFWFLSA-N 435.274 4.202 5 20 IIBD C[C@@H](c1ccccc1Br)N(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 914495921 LRWMDXCOBQVQGX-AWEZNQCLSA-N 448.317 4.027 5 20 IIBD CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 915511188 ACNKRIRCTXKVRM-HOTGVXAUSA-N 436.468 4.478 5 20 IIBD O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1ccccc1Cc1nc(O)c2ccccc2n1 918935650 UHRDSENBVDNXJJ-UHFFFAOYSA-N 433.395 4.331 5 20 IIBD COc1ccc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cc1OC 919192813 ODGNXDZIRVITJA-UHFFFAOYSA-N 437.404 4.444 5 20 IIBD Cc1cccc(NC(=O)[C@H](C)OC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 919196031 QWCJIUDISAGFTI-LBPRGKRZSA-N 426.347 4.028 5 20 IIBD C[C@@H](OC(=O)CCc1ccc(OC(F)F)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 919267122 DSRGELFJPAMAQG-LLVKDONJSA-N 442.802 4.353 5 20 IIBD CCCc1c(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[nH]c(C)c1C(C)=O 919482773 OWBAOYMIXRDJAJ-ZDUSSCGKSA-N 426.429 4.354 5 20 IIBD O=C(OCc1nc(O)c2ccc(C(F)(F)F)cc2n1)c1cc2cccc([N+](=O)[O-])c2[nH]1 919523467 VLGMCOZGIGXRIK-UHFFFAOYSA-N 432.314 4.101 5 20 IIBD CC(C)Oc1ncc(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1Cl 919551851 KUYXQEFSCYLWQZ-NSHDSACASA-N 432.820 4.398 5 20 IIBD O=C(Nc1sc2c(c1C(=O)NCc1ccc([N+](=O)[O-])cc1)CCCC2)c1cccnc1 919882523 RYBJWNCKELJYKD-UHFFFAOYSA-N 436.493 4.112 5 20 IIBD COc1ccc2c(c1)c(C(=O)N1CCN(c3cccc([N+](=O)[O-])c3)CC1)c(C)n2C1CC1 1116037200 QJDJKSOQMWJQFQ-UHFFFAOYSA-N 434.496 4.164 5 20 IIBD Cc1ccc(Cn2ncc3c(C(=O)N4Cc5ccc([N+](=O)[O-])cc5C4)cc(C)nc32)cc1 1116154671 JBMDRBJFJYSNDS-UHFFFAOYSA-N 427.464 4.161 5 20 IIBD COc1ccc([C@@H](NC(=O)c2cc(C)cc([N+](=O)[O-])c2)c2ccc(OC)cc2OC)cc1 1318468468 NTSYOFAULAYNDM-HSZRJFAPSA-N 436.464 4.448 5 20 IIBD CC(=O)N1Cc2ccc(NC(=O)c3ccc(N[C@H](C)c4ccccn4)c([N+](=O)[O-])c3)cc2C1 1323578207 QLRJAMDCNPYXAQ-OAHLLOKOSA-N 445.479 4.277 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3nnc(-c4ccncc4)s3)cc2[N+](=O)[O-])C1 1324057428 HPTLLRFVIAGMGD-ZIAGYGMSSA-N 438.513 4.243 5 20 IIBD COc1cc(C(=O)N[C@H](C)c2noc(C)n2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 1324156875 YKRZCMQXVVJCPZ-SNVBAGLBSA-N 432.820 4.232 5 20 IIBD Cc1nc(CSCC(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)cs1 1334948273 OJJSYWJVWDVIIV-UHFFFAOYSA-N 447.542 4.080 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(Br)ccc2OC)cc1OC 1337581867 IMMZEVOJLNAHCG-UHFFFAOYSA-N 425.235 4.026 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)C3CCC3)CCC2)cc1)c1cc([N+](=O)[O-])cc2c1OCC2 1790046946 UWEPVZRTXIZXFT-UHFFFAOYSA-N 435.480 4.078 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)Nc1ccc(C2(NC(=O)c3cc[nH]c3C)CCC2)cc1 1790805720 BRSJHOMKQFDRLM-UHFFFAOYSA-N 448.479 4.307 5 20 IIBD Cc1cc(Cl)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2cccc([N+](=O)[O-])c2)c1 1792481502 YSHCECIKHGFXBJ-ACDBMABISA-N 441.915 4.051 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@@H]1C[C@@H]1C1CC1 1801205720 AGBIZCJPGZPREE-LMCLKVLCSA-N 439.537 4.107 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC2(CCCN(C(=O)CC3CCCC3)C2)CC1 1808945196 DQQIWNWFQARTCM-ZHACJKMWSA-N 439.556 4.420 5 20 IIBD CC[C@H](C)CC(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cc(F)ccc2[N+](=O)[O-])CC1 1832884582 BAIINPPBBSUAJA-LAUBAEHRSA-N 447.551 4.332 5 20 IIBD O=C(c1cccc(F)c1[N+](=O)[O-])N1CC2(CCCN2C(=O)c2cc3sccc3s2)C1 1844033654 LBJQLZGYAFHGMQ-UHFFFAOYSA-N 445.497 4.141 5 20 IIBD C[C@H](C(=O)N1CCCC12CN(C(=O)C1(c3cccc([N+](=O)[O-])c3)CCC1)C2)c1ccccc1 1847051496 DGLNEWKLYVQKBG-IBGZPJMESA-N 447.535 4.024 5 20 IIBD CC(C)[C@@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 1847615227 AKAHRNFJMZPHSF-UMWLIVJTSA-N 447.535 4.250 5 20 IIBD Cc1nc2cc(C(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)ccc2n1-c1ccccc1 15759434 KZUHKBHNAYJYHU-UHFFFAOYSA-N 441.491 4.205 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1sc(-c2cccs2)nc1C 17830783 CHNIXVJMVJBQRA-NSHDSACASA-N 447.494 4.281 5 20 IIBD Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)OC(=O)c1ccc(Br)c([N+](=O)[O-])c1 22184033 YNUAVGHROLLMDP-QWHCGFSZSA-N 435.274 4.088 5 20 IIBD O=C(CSc1nccn1-c1ccc(Br)cc1)Nc1ccccc1[N+](=O)[O-] 24525119 INKVZKGBBQARPK-UHFFFAOYSA-N 433.287 4.274 5 20 IIBD CC(=O)Nc1cc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1F 25511461 OTULECPMJRUVFO-UHFFFAOYSA-N 431.367 4.442 5 20 IIBD CC(=O)c1ccc(Sc2nc3ccccc3c(=O)n2-c2ccc(C)cn2)c([N+](=O)[O-])c1 29072553 WBHSEGOAAPJRNX-UHFFFAOYSA-N 432.461 4.351 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCC[C@H]1c1ccc(Cl)cc1 30365742 LKDSBVGRFGWWAF-KRWDZBQOSA-N 429.860 4.300 5 20 IIBD CN(Cc1ccccc1OC(F)(F)F)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 30918975 JHZYBGBWVYSYJS-UHFFFAOYSA-N 437.418 4.368 5 20 IIBD O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 78659729 BLDLHBVZVWRGDS-KRWDZBQOSA-N 429.448 4.144 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(-c3nccs3)cc2)ccc1[N+](=O)[O-] 110317671 FFRJGTOBVJKSGE-LJQANCHMSA-N 436.493 4.270 5 20 IIBD Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1 115881630 AJVPMAZQXXKWOU-UHFFFAOYSA-N 431.495 4.326 5 20 IIBD O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H](c2cccc(Cl)c2)N2CCOCC2)c1 237822713 LOIPKZVBDNXZES-SFHVURJKSA-N 441.862 4.013 5 20 IIBD O=C1[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1c1ccccc1Cl 237915439 UXLATBMJASWOOE-QGZVFWFLSA-N 428.901 4.267 5 20 IIBD COc1ccc(-c2nnc(Sc3ccc(Br)cc3[N+](=O)[O-])[nH]2)c(OC)c1 301168130 JDOLDSWWHGGDIL-UHFFFAOYSA-N 437.275 4.311 5 20 IIBD COc1cccc(OC)c1OC1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 301386197 XBCKWQUVKYJBHD-UHFFFAOYSA-N 437.290 4.422 5 20 IIBD C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)Nc1ncc([N+](=O)[O-])cc1Br 301749262 SXLJMIMQQMWKGH-ZDUSSCGKSA-N 448.321 4.182 5 20 IIBD CC(C)(C)Oc1cc(N2CCN(CC(=O)Nc3ccccc3Cl)CC2)ccc1[N+](=O)[O-] 301885175 OLCGYGFLAAVVAA-UHFFFAOYSA-N 446.935 4.186 5 20 IIBD CC(C)CCOCCNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 302939229 AFLRCHAYEKDQSQ-UHFFFAOYSA-N 431.455 4.009 5 20 IIBD O=C(NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 429167124 YFDAILQTSNHPAW-UPVQGACJSA-N 441.503 4.182 5 20 IIBD C[C@H]1C[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCN1Cc1ccccc1 431408154 UEOWZUOXEJEOCU-GOEBONIOSA-N 434.443 4.371 5 20 IIBD CCn1c(SCc2noc(-c3ccc(F)cc3F)n2)nnc1-c1ccc([N+](=O)[O-])cc1 436038948 DWLPXBBLTUSGPX-UHFFFAOYSA-N 444.423 4.494 5 20 IIBD O=C(NCc1cccnc1OCC(F)(F)F)c1cccc2c(=O)c3cccc(F)c3[nH]c12 436092115 PSYHLNFSWZXINR-UHFFFAOYSA-N 445.372 4.087 5 20 IIBD O=C(NC[C@H]1CCCN(Cc2cccs2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 438020252 QMXAUNDIZZDWKB-QGZVFWFLSA-N 428.558 4.243 5 20 IIBD CC[C@](C)(O)CNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 440512083 AHOINWLQYIPVLY-KFGZODLXSA-N 425.510 4.412 5 20 IIBD COc1cc(C(C)=O)ccc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1Br 441950413 AAWTYARDBDZEKV-UHFFFAOYSA-N 439.287 4.299 5 20 IIBD CC(=O)N[C@H](CC(=O)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])c1cccs1 446426028 NPLVHSNKVAOFJR-LJQANCHMSA-N 439.493 4.441 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1 462569110 GXRRZGVLCKQUIW-UHFFFAOYSA-N 431.297 4.134 5 20 IIBD COc1cc(CN2CC[C@@](CO)(c3ccccc3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 463021767 CFQHWKWBFVFOAX-AREMUKBSSA-N 448.519 4.318 5 20 IIBD C[C@@H](CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)Oc1ccccc1F 463925593 KGZBJSNYHIMQFS-HOTGVXAUSA-N 438.459 4.499 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCc1ccc(OC2CCCCC2)cc1 464045442 ODFJIIBBMMUSKN-UHFFFAOYSA-N 425.485 4.178 5 20 IIBD O=C(N[C@@H]1CCCc2sccc21)c1ccc([N+](=O)[O-])cc1I 466265375 RSQRUYSKJJLCDN-CYBMUJFWSA-N 428.251 4.068 5 20 IIBD CC(C)c1[nH]nc(C(=O)NCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)c1[N+](=O)[O-] 468724198 JMCJQUUAADEBLM-AWEZNQCLSA-N 425.514 4.100 5 20 IIBD O=C(Nc1nnc(-c2cc3ccccc3o2)s1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 470370442 YJLBENZPXAPZNR-UHFFFAOYSA-N 432.421 4.298 5 20 IIBD Cc1ccc(Br)cc1NC(=O)CCNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 473768662 KRMSWWOSPSJYFG-UHFFFAOYSA-N 435.278 4.124 5 20 IIBD CN(C)C(=O)C[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])c2ccc(Cl)cc21 474781732 BWFRLRSXGONSLZ-SNVBAGLBSA-N 439.697 4.119 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)Nc2ccc(CCO)cc2)cc1[N+](=O)[O-] 476099221 MXVCUXDZSBBRSY-UHFFFAOYSA-N 436.489 4.335 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Nc1cc(Cl)ccc1-c1nc(C2CC2)no1 476427486 LYLNVPAQTPTBEY-UHFFFAOYSA-N 438.824 4.116 5 20 IIBD CCOc1cc(N2CCN(C(=O)[C@@H]3C[C@@H]3c3cccc(Cl)c3)CC2)ccc1[N+](=O)[O-] 477354248 NVOMCMNTWYAOAY-RTBURBONSA-N 429.904 4.099 5 20 IIBD COC(=O)c1cnc(NCc2cn(Cc3ccccc3)nc2-c2ccccc2)c([N+](=O)[O-])c1 478283563 RREBTKAFXJBQEP-UHFFFAOYSA-N 443.463 4.300 5 20 IIBD COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)c1 478640993 YHZIMOVIWYOQRB-UHFFFAOYSA-N 438.411 4.281 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3ccc(Br)cc3)CC2)ccc1[N+](=O)[O-] 478897788 MNSBLAJCTYMLEA-UHFFFAOYSA-N 449.305 4.110 5 20 IIBD CN1Cc2cc(NC(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)ccc2NC1=O 478971606 MTZYSYJCOCBHQB-UHFFFAOYSA-N 431.452 4.437 5 20 IIBD CC[C@@H](Cc1ccccc1Br)N(C)C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 479763248 HNASTYATNUZSDL-INIZCTEOSA-N 449.301 4.237 5 20 IIBD Cc1ccc(NC(=O)N2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)cc1[N+](=O)[O-] 479768677 DBDDWASEPICILQ-HNNXBMFYSA-N 429.452 4.108 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 481229742 NTNQRDDFOSQAJW-UHFFFAOYSA-N 426.498 4.270 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 481892217 LDJLOMSMQOUMJB-SIKLNZKXSA-N 425.554 4.200 5 20 IIBD C[C@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)NC2CC2)cc1 483302255 WZRILJSNQDRLHD-UONOGXRCSA-N 428.514 4.237 5 20 IIBD CCN(C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1ccc(Br)cn1 485723607 HMGGGYLSDAZPDN-UHFFFAOYSA-N 427.258 4.481 5 20 IIBD CSc1ccc(C(=O)N(CC(=O)N2CCCCC2)c2cccc(C)c2)cc1[N+](=O)[O-] 485983751 AJIPQBMJPBCCIC-UHFFFAOYSA-N 427.526 4.284 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 487295471 FPFLKRUOHWQTAG-SOLBZPMBSA-N 431.920 4.042 5 20 IIBD O=C(N[C@H]1CS(=O)(=O)c2ccccc21)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 487714766 AUBSLFFYEHPSIH-IBGZPJMESA-N 440.502 4.004 5 20 IIBD COc1cc(CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])ccc1OCC(F)(F)F 488183806 YMPYWEXQUIRWLL-UHFFFAOYSA-N 441.406 4.279 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCc1ccc(-n2cnc3ccccc32)cc1 489225606 OROBTQLVSVMSAC-UHFFFAOYSA-N 429.480 4.318 5 20 IIBD COc1cc(Br)c(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1O 490571937 UKLDAMKNDDPWLJ-UHFFFAOYSA-N 437.290 4.115 5 20 IIBD COc1cc(OC)c(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1Br 491032207 FJJOBQQKYDEICY-UHFFFAOYSA-N 432.230 4.175 5 20 IIBD COc1cccc(CN(C[C@H]2CCCO2)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 493007172 XNPDIJPMUDIUJH-LAUBAEHRSA-N 427.501 4.364 5 20 IIBD C[C@H]1CCCN(CCCCNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 494275974 DSCSTBWRGPPGPU-IBGZPJMESA-N 425.529 4.416 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@H]1CCOC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 494778115 FNKMPSDEDQHJPF-AWEZNQCLSA-N 442.859 4.102 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 496519775 LVBHGNQCFXXHSH-IIBYNOLFSA-N 435.480 4.003 5 20 IIBD C[C@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccc(Cl)cc1 498119664 PTBSGIGAEUVTKF-ZDUSSCGKSA-N 442.946 4.122 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)c1cnn2ccncc12 498383575 BSRGMRIAYQDWJP-UHFFFAOYSA-N 441.806 4.152 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCC2(N[C@@H](C)c3ccccc3)CCCC2)cc1OC 499931215 PHHSIQHOFPAGAA-KRWDZBQOSA-N 441.528 4.396 5 20 IIBD CCc1ccc(NC(=O)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1Cl 500892812 RZOLGNSRVABINH-UHFFFAOYSA-N 429.782 4.084 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 503711428 JUZNSQFYTAPVOZ-UHFFFAOYSA-N 425.391 4.137 5 20 IIBD COCCSc1ccc([C@@H](C)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 504710422 BGWSBHINJIBOPI-MRXNPFEDSA-N 429.542 4.425 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1nc(-c2ccc(OCc3ccccc3)cc2)cs1 505088876 FSPCRLMIZKLCPW-UHFFFAOYSA-N 449.492 4.441 5 20 IIBD CC(C)(C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1)c1ccccc1[N+](=O)[O-] 508586811 IQUNVDFEYVHCEM-HNNXBMFYSA-N 432.318 4.030 5 20 IIBD COc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1[N+](=O)[O-] 508942547 RMMHYSZBWUZIIA-MRXNPFEDSA-N 438.267 4.154 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 509030924 JHYUIKLKIVHSPR-UHFFFAOYSA-N 429.542 4.306 5 20 IIBD O=C(CCN1C(=O)CSc2ccccc21)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 509293528 HIJIJEQBVKJDQJ-UHFFFAOYSA-N 440.506 4.186 5 20 IIBD C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 509742096 XVDDBRVFWXKOLA-LLVKDONJSA-N 443.809 4.295 5 20 IIBD COc1ccc(-c2ccc(CN[C@H]3CCN(C(=O)Nc4ccccc4)C3)o2)c([N+](=O)[O-])c1 510003872 FWTMOOCOEREAMY-KRWDZBQOSA-N 436.468 4.259 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)cc1OC 511745924 WBBGRORSEPFNQX-JOCHJYFZSA-N 441.528 4.033 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C 511802559 PXKGVVUJWFMWSF-UWJYYQICSA-N 427.570 4.492 5 20 IIBD C[C@@H]1CN(CC2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)C[C@@H](C)O1 512181648 PLBRPMCRTKWCMG-IAGOWNOFSA-N 430.574 4.040 5 20 IIBD O=C(Nc1n[nH]c(-c2cccc3ccccc23)n1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 513732209 CNDLELNYBBVJFW-UHFFFAOYSA-N 442.479 4.388 5 20 IIBD Cc1ccc(CNC(=O)C2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1F 517805714 DEDHEGAUOWSOSC-UHFFFAOYSA-N 448.882 4.256 5 20 IIBD O=C(Nc1nc2cc(Cl)ccc2s1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 518903730 RLZZFGIZKCNXJJ-LLVKDONJSA-N 436.902 4.163 5 20 IIBD CC(=O)NCc1ccc(-c2nc(NC(=O)c3cc([N+](=O)[O-])ccc3C)sc2C)s1 519092986 RKVZQRJWGUBTBR-UHFFFAOYSA-N 430.511 4.285 5 20 IIBD Cc1cccc(C(=O)N2CCCC2)c1NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 520439696 NBWNSOYJXXODSF-AWEZNQCLSA-N 431.876 4.199 5 20 IIBD O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 520665868 DIUJAVJLCQCGDF-UHFFFAOYSA-N 446.442 4.061 5 20 IIBD CN1CCN(CCCCNCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 520947871 AMBNDNKIYKGYSX-UHFFFAOYSA-N 432.952 4.158 5 20 IIBD O=C(CCc1cc(Br)cs1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 521676342 GHIYWKPRBIOCEU-UHFFFAOYSA-N 427.276 4.151 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cnc2c(cnn2Cc2ccccc2)c1 523497679 ZOLIVUVGXJKTON-UHFFFAOYSA-N 429.480 4.141 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)cc1[N+](=O)[O-] 531214250 QLLGWANFGRVCID-MRXNPFEDSA-N 443.463 4.034 5 20 IIBD C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cc(I)cc([N+](=O)[O-])c1 536553057 YSKXVOSEXXZAND-IUODEOHRSA-N 436.249 4.218 5 20 IIBD C[C@@H]1CN(CCOc2ccc(CCNC(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2)C[C@@H]1C 537140487 INMVKRPCSGMERW-CALCHBBNSA-N 445.947 4.187 5 20 IIBD O=C(Nc1ccc(-c2cnc(C3CC3)o2)cc1)c1cccc([N+](=O)[O-])c1N1CCOCC1 538510736 GQTYMUFBFFKRQA-UHFFFAOYSA-N 434.452 4.216 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 538539842 KRWFDSLUHRQBHW-MSOLQXFVSA-N 428.432 4.369 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(c2ccccc2OC)C1=O 538560648 QHJBUOVUUSYJRX-KRWDZBQOSA-N 443.525 4.031 5 20 IIBD CCN(CCC1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1)CC1CC1 540013815 TUIRNEJVURJAOX-UHFFFAOYSA-N 442.604 4.172 5 20 IIBD CSc1ccc(NC(=O)Cn2cc(Nc3ccc([N+](=O)[O-])c(OC(F)F)c3)cn2)cc1 540034441 SUIDGMNWUVJRFL-UHFFFAOYSA-N 449.439 4.497 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCCCc3c(Cl)cccc32)cc1OC 542560753 JXGWFKUULMEJCZ-UHFFFAOYSA-N 434.876 4.265 5 20 IIBD Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)ccc1-n1nnnc1C(C)C 544142982 RHRUXJABYMBPEU-UHFFFAOYSA-N 445.277 4.017 5 20 IIBD COc1cccc(OC)c1OCc1noc(-c2cc(Br)cc([N+](=O)[O-])c2)n1 545079452 ONAMUQLBLYICHE-UHFFFAOYSA-N 436.218 4.004 5 20 IIBD O=C(Cc1cccc(F)c1)NCc1nc(-c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)no1 545780199 REDJXAVRPGUARP-UHFFFAOYSA-N 448.410 4.435 5 20 IIBD COc1ccc(-n2c(Sc3ncc([N+](=O)[O-])cn3)nnc2-c2ccccc2)cc1Cl 546898943 OFVLNQKOKYASBP-UHFFFAOYSA-N 440.872 4.446 5 20 IIBD CCCc1c(NC(=O)c2cc(OC)c(OCC)cc2[N+](=O)[O-])cnn1-c1cc(C)ccn1 546902214 AYTAOUULHITEQB-UHFFFAOYSA-N 439.472 4.096 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1-c1nc(CS(=O)(=O)c2cc(Cl)ccc2Cl)no1 546942936 XYDCEEGTSSZMIH-UHFFFAOYSA-N 428.253 4.234 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)c1 549210669 FZFSDDMCCSIKLF-OAHLLOKOSA-N 427.482 4.429 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 549381698 RWCVZPJKNOVQAJ-GOSISDBHSA-N 445.426 4.053 5 20 IIBD CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(Oc2ncccc2F)CC1 549431157 JQWFSRNROLGRCU-UHFFFAOYSA-N 440.479 4.091 5 20 IIBD Cc1c(Cl)cccc1N1CCCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 551671934 LQABCPVMRQFEAM-UHFFFAOYSA-N 439.903 4.095 5 20 IIBD COc1cc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc(OC)c1OC 555313780 JXPULRUNPHDQMO-SNVBAGLBSA-N 428.363 4.130 5 20 IIBD C/C(=C/c1ccccc1)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 555474649 IFGZIACFSGYNIO-MTGKDYNDSA-N 433.512 4.430 5 20 IIBD CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)c4ccc(NCc5ccccc5Cl)c([N+](=O)[O-])c4)[C@H]1[C@H]3C2 557534490 XYVWTEVSHYFKBV-LYHMAKQNSA-N 441.915 4.356 5 20 IIBD O=C(CN[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1)Nc1ccc([N+](=O)[O-])cc1Cl 560534852 BUSQCWJLQRPXMO-ZWKOTPCHSA-N 425.819 4.055 5 20 IIBD COc1ccc(Cn2cc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cn2)cc1 560839433 CASLDYZTXQNESU-UHFFFAOYSA-N 438.487 4.047 5 20 IIBD COc1ccc(-c2nc(Cc3cc(OC)cc(OC)c3[N+](=O)[O-])no2)c(OCC2CC2)c1 566530133 IAVPWYQOBLLCND-UHFFFAOYSA-N 441.440 4.050 5 20 IIBD C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 572623562 LIUZYFRIXVTIIA-DIFFPNOSSA-N 434.374 4.092 5 20 IIBD Cc1cc(C(C)(C)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)ccc1Br 572656351 AAJNKVQNVGXQCK-UHFFFAOYSA-N 435.322 4.004 5 20 IIBD C[C@H](C(=O)Nc1cc(NC(=O)CN2CCCC[C@@H]2C)ccc1F)c1cccc([N+](=O)[O-])c1 577333288 KEMYEVBOOIDJIX-HOTGVXAUSA-N 442.491 4.289 5 20 IIBD COc1nnccc1NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 583525231 FBSGOMROWOMKKZ-UHFFFAOYSA-N 439.478 4.407 5 20 IIBD Cc1cc(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)nn1-c1c(F)cccc1F 583960455 CLNNGFOKSUFPGI-UHFFFAOYSA-N 436.378 4.489 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(C(=O)NC4CC4)cc3)cc2[N+](=O)[O-])C1 589735314 DGBWGSJFCDPXRG-IYBDPMFKSA-N 436.512 4.222 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N[C@H]1CC[C@@](O)(C(F)(F)F)C1 590118698 ZPTXAWGXUWOIQK-UGSOOPFHSA-N 425.363 4.355 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 598404260 PQDLRVHBEDOSCB-CZUORRHYSA-N 432.860 4.150 5 20 IIBD Cc1cc(Br)ccc1C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 603953573 QJFAEZVJOZCNPF-KRWDZBQOSA-N 449.301 4.479 5 20 IIBD COc1cc(C(=O)Nc2cc(NC(C)=O)ccc2Cl)c([N+](=O)[O-])cc1OC(F)F 604012358 ZJZRJFWJBVLJKS-UHFFFAOYSA-N 429.763 4.069 5 20 IIBD COc1ccc(CNC(=O)NCc2ccccc2-c2ccc(CN(C)C)cc2)cc1[N+](=O)[O-] 604081751 NPVCRRMUIACUGC-UHFFFAOYSA-N 448.523 4.331 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccccc1OCC(F)(F)F 604443634 DWDHIOPXLOIVKV-LLVKDONJSA-N 432.782 4.273 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 608817771 CATLBKRKFXXKCV-INIZCTEOSA-N 426.860 4.247 5 20 IIBD Cc1ccc(C(=O)Nc2nc3ccc(NC(=O)c4cc([N+](=O)[O-])cn4C)cc3s2)s1 608817851 HWRAABNBASQVIB-UHFFFAOYSA-N 441.494 4.418 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)CCCC(=O)OC(C)(C)C)cc2[N+](=O)[O-])C1 608970678 FVGHFWULNLNEQM-IAGOWNOFSA-N 433.549 4.271 5 20 IIBD CCOc1cc2c(cc1CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])O[C@@H](C)C2 609722290 QKKMOSICCBSFAW-ZDUSSCGKSA-N 434.876 4.056 5 20 IIBD O=C(CSCC(=O)N1CCCCC1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609762712 PSWYKKDCGYYLBD-UHFFFAOYSA-N 429.498 4.071 5 20 IIBD CCOc1ccc(C(=O)NCC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 609771505 IVFDDXISXPUFPO-UHFFFAOYSA-N 435.436 4.154 5 20 IIBD Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)o1 609978288 KBAPMXVBSCTUSM-IBGZPJMESA-N 447.476 4.350 5 20 IIBD CSc1ccc(C(=O)N2C[C@@H](CC(=O)N(C)C)c3cc(Cl)ccc32)cc1[N+](=O)[O-] 610178367 SDBXYKSIOCPUFH-CYBMUJFWSA-N 433.917 4.192 5 20 IIBD C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 611143917 IOXLBPHHSXNIKL-OAHLLOKOSA-N 449.536 4.134 5 20 IIBD CC(C)(C)c1ncc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)s1 727330005 KQRXSHHHXWXINV-UHFFFAOYSA-N 442.463 4.330 5 20 IIBD C[C@@H](OC(=O)c1cnn(-c2ccc(Cl)nn2)c1C(F)(F)F)c1cccc([N+](=O)[O-])c1 728167746 SVENFDUAFISBKM-SECBINFHSA-N 441.753 4.161 5 20 IIBD Cc1cc(Br)cc2c1N(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)CCC2 728180829 GZPDQFKTIRVTTC-UHFFFAOYSA-N 434.246 4.475 5 20 IIBD O=C(COC(=O)c1c(Cl)cccc1[N+](=O)[O-])N[C@H](c1ccccc1)c1cccs1 730643004 KLNIZMKORQCSIQ-LJQANCHMSA-N 430.869 4.372 5 20 IIBD COc1c([N+](=O)[O-])cc(NC[C@@H]2CCOc3ccccc32)c([N+](=O)[O-])c1Br 731208759 NHDRUQHHCHHFKS-JTQLQIEISA-N 438.234 4.252 5 20 IIBD CCOC(=O)c1cc(-c2nc(C3(NC(=O)OC(C)(C)C)CCCC3)no2)cc([N+](=O)[O-])c1 731798859 QZVCJQGYWJTNOR-UHFFFAOYSA-N 446.460 4.116 5 20 IIBD O=C(Nc1cccc(C2SCCS2)c1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 731963229 FYGXBUTTWYGDFY-AWEZNQCLSA-N 449.579 4.378 5 20 IIBD CC(C)n1c([C@H]2CCCN(C(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)C2)nc2ccccc21 733957664 AKSZCPAAMLODPA-SFHVURJKSA-N 446.511 4.281 5 20 IIBD C[S@@](=O)CCNC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2 735052120 INKKPXKIXCSBOG-ITJTYRFCSA-N 449.532 4.128 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl 735468143 HYFUKNSOBZEKGD-GUYCJALGSA-N 425.913 4.085 5 20 IIBD Cc1nonc1CNC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 736154153 ZFNNOMROWFVTMA-UHFFFAOYSA-N 438.387 4.386 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OC[C@@H]1CC(=O)N(C)[C@@H]1c1cccc(Cl)c1 737384826 IVUKHGOEBPTGDA-ZQGRQUNCSA-N 448.928 4.492 5 20 IIBD O=C(c1ccc(F)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 742399545 MVMVXCJNAUTWMT-UHFFFAOYSA-N 442.672 4.112 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[C@@H](SC)C1 742421692 QOPVAGAKJMJSPG-DZGCQCFKSA-N 437.543 4.100 5 20 IIBD Cc1cccc2c(CCC(=O)OC[C@H]3CCCN3C(=O)c3ccccc3[N+](=O)[O-])c[nH]c12 744115421 AVBYYMSVYFLMGF-GOSISDBHSA-N 435.480 4.165 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)C2(c3cccs3)CCCCC2)c([N+](=O)[O-])c1 745067301 NBJNGTGITYOYCW-AWEZNQCLSA-N 432.498 4.437 5 20 IIBD C[C@H](OC(=O)[C@H]1C[C@]12CCCc1ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 745715843 HGGOKXRWCPUSDR-GZOOOWMASA-N 428.872 4.413 5 20 IIBD O=Cc1ccc(OCC(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 746294482 SLAIGKCFWWOJNY-UHFFFAOYSA-N 434.901 4.223 5 20 IIBD CO[C@H](C)c1noc(COC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1 747678173 VUNYEBHLOPMEKG-LLVKDONJSA-N 433.804 4.488 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1cc(Cl)ccc1OC(F)F 749087437 GHXMICDNSWUKMZ-VIFPVBQESA-N 449.815 4.171 5 20 IIBD Cc1nc(CCCC(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cs1 750565416 VFJKIMOOSWOVEP-JTQLQIEISA-N 445.419 4.272 5 20 IIBD CC(C)Oc1cc(Br)cc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c1 752050459 VKPJPKIYLCGOCB-UHFFFAOYSA-N 433.262 4.133 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2nc3c(F)c(F)c(F)cc3s2)cc1[N+](=O)[O-] 752192443 WQDDEERNIKIALX-UHFFFAOYSA-N 437.808 4.384 5 20 IIBD O=C1C[C@@H](C(=O)N(CC2CCCCC2)c2ccccn2)CN1c1ccc(F)c([N+](=O)[O-])c1 752857733 BAICNQSCXVHIOI-QGZVFWFLSA-N 440.475 4.095 5 20 IIBD CN(CCOc1ccc(Cl)cc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754639595 KRJJVPHPJVPVKS-UHFFFAOYSA-N 431.645 4.301 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 754983867 ATZKZQLJJLECGC-SSDOTTSWSA-N 446.174 4.133 5 20 IIBD CC(C)C(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cc1 754984836 GEDUBPQESCEOSS-LLVKDONJSA-N 436.823 4.410 5 20 IIBD CN1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c2cc(F)ccc21 755015128 WWPVKPOFSFYMBI-UHFFFAOYSA-N 426.217 4.122 5 20 IIBD C[C@@H](C(=O)OCC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc([N+](=O)[O-])cc1F 755069930 YTFJMIUIMYFWCU-CYBMUJFWSA-N 444.415 4.061 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Oc1cccc(Oc2ncccn2)c1 755260044 FZTXDEPMNHFOHR-UHFFFAOYSA-N 430.214 4.088 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)O[C@H](C)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 755673152 MGMUWYFZRMGIPX-CYBMUJFWSA-N 428.441 4.016 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@@H](C)c2ccc([S@](C)=O)cc2)CC1 756028145 BJXFNEQOCWLQBX-DFYVNMARSA-N 429.542 4.060 5 20 IIBD CCOC(=O)Cn1ccc2cc(NC(=O)NCc3cc([N+](=O)[O-])ccc3Cl)ccc21 757223123 WZYMSJVFLKIQIX-UHFFFAOYSA-N 430.848 4.088 5 20 IIBD O=C(COC(=O)c1cc(Br)c(F)cc1F)Nc1ccc(Cl)cc1[N+](=O)[O-] 759026122 FDKBBAMIBPBTJI-UHFFFAOYSA-N 449.591 4.084 5 20 IIBD C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)O[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 759852138 LPVUYGCTHHJLFS-NWDGAFQWSA-N 436.823 4.167 5 20 IIBD CC1(O)CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)CC1 760007215 CUJQUZCZXNSFMS-UHFFFAOYSA-N 437.540 4.041 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1[N+](=O)[O-] 760148335 XFIGYWUVOBUCKO-CYBMUJFWSA-N 440.239 4.412 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1nc2cc(Cl)ccc2n1C 763810893 QTVCSCNGNBXPAV-UHFFFAOYSA-N 435.889 4.230 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](c2nnc(S)n2C(C)C)C1 765516656 VJBIMANLSOEXDZ-SJORKVTESA-N 431.562 4.031 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 766243421 JHTZQFDWUXKWPR-YESZJQIVSA-N 432.521 4.369 5 20 IIBD CN(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](CO)c1cccc(Br)c1 766306302 GODXLXWOJHVBEM-OAHLLOKOSA-N 428.670 4.208 5 20 IIBD Cn1cc(CNC[C@H](O)c2ccc(-c3ccccc3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 766469417 RNMJAEKDIUJMBD-DEOSSOPVSA-N 428.492 4.486 5 20 IIBD O=C(CN(CCCOc1ccccc1)C1CCOCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 766929770 KAMIGVDLIIEVNK-UHFFFAOYSA-N 447.919 4.137 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@@H]1c1cc(F)cc(Br)c1 767152953 GJLWEMAJYRWFTC-MRXNPFEDSA-N 438.209 4.382 5 20 IIBD Cc1nc(-c2ccccc2)ncc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 767626381 DOKOBMLKKKODCV-CYBMUJFWSA-N 440.843 4.198 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN(Cn2c(=O)oc4ccc([N+](=O)[O-])cc42)C3)cs1 771621390 JAXUANLOZIZPJU-UHFFFAOYSA-N 428.495 4.012 5 20 IIBD CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc([N+](=O)[O-])cc2F)NC(=O)N1CC1CC1 777946125 AZKNBILBBLDQSE-NRFANRHFSA-N 438.459 4.431 5 20 IIBD COC(=O)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(C(F)(F)F)cc1 778143923 NCWPIUQOMLXDIO-HNNXBMFYSA-N 430.766 4.301 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)c1cc([N+](=O)[O-])c2nsnc2c1 778244228 PCIRRYZSCOZIQS-LBPRGKRZSA-N 439.497 4.032 5 20 IIBD Cc1nnc(-c2ccccc2C(=O)OCCOc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)o1 780329378 NIAIJUGIRCUQQS-UHFFFAOYSA-N 437.330 4.208 5 20 IIBD CC(C)C[C@H](NC(=O)OC(C)(C)C)c1noc([C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 781611065 WQZOXGFTKHQLFI-DOTOQJQBSA-N 445.476 4.455 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCc1ccc(Oc2cccnc2)c(F)c1 781628982 QHOSXVSHUJYDBX-UHFFFAOYSA-N 440.387 4.078 5 20 IIBD CCCC(=O)Nc1ccc(C(=O)COC(=O)c2cccc([N+](=O)[O-])c2Br)cc1 781672704 FXTUHGVWWMAFEU-UHFFFAOYSA-N 449.257 4.136 5 20 IIBD O=C(Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2Br)cc1)c1ccco1 782120728 BVKWSTQUKRPVNT-UHFFFAOYSA-N 430.214 4.455 5 20 IIBD C[C@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccccc1C(F)(F)F 785947254 ICHHIOZADYPDGW-JTQLQIEISA-N 430.766 4.380 5 20 IIBD Cc1cnccc1C(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 786043466 BYNISIBIFXIBJV-IBGZPJMESA-N 425.828 4.488 5 20 IIBD C[C@@](O)(CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccccc1Cl 787527611 LECGXSUFKIJUBF-HSZRJFAPSA-N 440.883 4.465 5 20 IIBD O=C(c1cc(N2CCC(COc3ccc(Cl)nc3)CC2)ccc1[N+](=O)[O-])N1CCCC1 788561850 TWRLKQXXMYIDFC-UHFFFAOYSA-N 444.919 4.175 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790562854 XGBNARNBLURDNQ-WBMJQRKESA-N 443.903 4.130 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3cc4ccccc4c(Cl)n3)CC2)ccc1[N+](=O)[O-] 794046851 FLHSYMOHVXCTIS-UHFFFAOYSA-N 440.887 4.158 5 20 IIBD O=c1oc(-c2ccccc2[N+](=O)[O-])nn1CNC1(c2cccc(C(F)(F)F)c2)CCC1 794639979 NQJDUWGPJMFXIV-UHFFFAOYSA-N 434.374 4.057 5 20 IIBD COc1c(C(=O)OCC(=O)N[C@H](c2ccc(C)cc2)c2cccs2)cccc1[N+](=O)[O-] 796311601 KVUAPNDMJTZTDO-HXUWFJFHSA-N 440.477 4.036 5 20 IIBD COc1cc(COC(=O)[C@H](C)[C@@H]2OCCc3sccc32)c([N+](=O)[O-])cc1OC(F)F 796502138 BRMYLYRZRZOGKN-QGHHPUGFSA-N 443.424 4.260 5 20 IIBD C[C@H](N[C@@H]1[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 796646660 CCEOCBHEZKVLPU-OIPACUDHSA-N 445.520 4.329 5 20 IIBD CN(C(=O)[C@@H]1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1)c1ccccc1 797440388 TXZXETAYHPDMLQ-GFCCVEGCSA-N 438.362 4.011 5 20 IIBD CCOC(=O)N1[C@H](c2ccc(C)o2)CC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1OCC 798542128 ICABTOHOPOZGSM-DLBZAZTESA-N 431.445 4.196 5 20 IIBD CCOC(=O)N1[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2OCC)CC[C@@H]1c1ccc(C)o1 798542129 ICABTOHOPOZGSM-IAGOWNOFSA-N 431.445 4.196 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 798783659 JNAMDKJCQLTVAC-NEPJUHHUSA-N 440.374 4.296 5 20 IIBD COc1ccc(-c2ccc(C)c(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)c2)cn1 801088116 FMQSCTFCCVVNTR-UHFFFAOYSA-N 448.479 4.063 5 20 IIBD Cc1cc(F)cc(C(=O)N2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)c1[N+](=O)[O-] 801248607 AWGBOAFDQWHCON-UHFFFAOYSA-N 442.365 4.065 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 801881575 SVHQAMJNXMEVPS-RYGJVYDSSA-N 449.463 4.099 5 20 IIBD CCN(C)C(=O)CSc1ccc([C@@H](C)OC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 809074497 BWIIPGNYVZVLQM-CQSZACIVSA-N 432.498 4.092 5 20 IIBD Cc1ccc(-c2noc(-c3cc([N+](=O)[O-])ccc3N3CCOCC3)n2)c(Br)c1 809402534 BSBPDZWZCBYEAO-UHFFFAOYSA-N 445.273 4.219 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC[C@H]21 814155730 ZJTPOYBVTSBXAR-SJLPKXTDSA-N 431.533 4.364 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C(=O)NCc1ccccc1Cl 815510600 DIXQSIMAMJTACK-JTQLQIEISA-N 430.766 4.129 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N(CC(F)(F)F)c2ccccc2)cc1Br 820798952 RDMXEAZCVJVTRV-UHFFFAOYSA-N 439.209 4.115 5 20 IIBD O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 914490645 ALCKRWAVVUGTQL-HSZRJFAPSA-N 435.455 4.090 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cccc(N4CCOC4=O)c3)cc2[N+](=O)[O-])C1 914726437 SSWPOYYVGPVYNX-IYBDPMFKSA-N 438.484 4.286 5 20 IIBD CC(C)[C@H](OC(=O)COc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(Cl)ccc1Cl 915368409 GKPJWNBFJKQCBG-SFHVURJKSA-N 441.267 4.487 5 20 IIBD O=C(NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(SCc2ccccc2)cc1 916786694 YWIJTNMCZLRLRI-UHFFFAOYSA-N 442.518 4.147 5 20 IIBD Cc1cc(C)cc(NC(=O)[C@@H](C)OC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 917257851 IBUKWXHPSMVEMV-CYBMUJFWSA-N 440.374 4.337 5 20 IIBD C[C@@H](Oc1ccccc1F)C(=O)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 918635792 UQSUKBPBSNQUKU-AEFFLSMTSA-N 444.459 4.129 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] 918672343 IFBKPOZHCFLNQL-NXEZZACHSA-N 429.273 4.014 5 20 IIBD O=C(NCC1(c2cccc(Cl)c2)CCOCC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 919864593 PFCSIBIMDIMDKA-UHFFFAOYSA-N 443.931 4.327 5 20 IIBD CSc1ncc(Cl)c(C(=O)OCCOc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)n1 920145391 ISJQSUOVAWAWLF-UHFFFAOYSA-N 437.783 4.015 5 20 IIBD COc1ccc(-c2ccc(CN(C)Cc3nc(O)c4sccc4n3)o2)c([N+](=O)[O-])c1 1255002038 OHVMAMVTJXBTHI-UHFFFAOYSA-N 426.454 4.206 5 20 IIBD C[C@H](OC(=O)c1ccc(Cn2cccc2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 1318508401 CMSYCNSYHNHGMC-AWEZNQCLSA-N 427.844 4.282 5 20 IIBD COc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)c1Br 1320628652 QPOLCEZGWGISAJ-UHFFFAOYSA-N 430.052 4.381 5 20 IIBD Cc1nc(N2CCOCC2)sc1-c1nnc(-c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)o1 1322262045 SZZPBRHUBDSFAJ-UHFFFAOYSA-N 429.502 4.211 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cn2cccc2)cc1 1326712248 STYHSUAUNNFZQQ-UHFFFAOYSA-N 432.402 4.305 5 20 IIBD O=[N+]([O-])c1ccn(C2CCN(Cc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)CC2)n1 1339392944 LDSRSEYMKMZDHG-UHFFFAOYSA-N 431.836 4.450 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)C3=COCCC3)CCC2)cc1 1786601437 OSYZCPDWTPTQFI-UHFFFAOYSA-N 449.507 4.356 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)C34CC(F)(C3)C4)CCC2)cc1)c1cccc(F)c1[N+](=O)[O-] 1790699796 MJTWWEXYTMLNOL-UHFFFAOYSA-N 441.434 4.374 5 20 IIBD CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc([N+](=O)[O-])o1)c1ccccc1 1793271697 QKBLSKOGCWKGAD-KVGUICHISA-N 437.496 4.033 5 20 IIBD CC/C=C(\C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])[C@@H]1c1cccnc1 1814191522 CMVWPHUQVHPHIP-IFMRTVAZSA-N 448.523 4.065 5 20 IIBD Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)cc1C 1829834633 QVGIFVNPRLMFHK-NRFANRHFSA-N 438.528 4.087 5 20 IIBD COc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C(C)C)CC2)ccc1[N+](=O)[O-] 1832697192 HZGKPYXSXAZGME-JRMCHAMMSA-N 443.544 4.049 5 20 IIBD CC1(C)CCC(CC(=O)N2CCCC23CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C3)CC1 1845258494 TVHYHUHHKDLIHT-UHFFFAOYSA-N 431.508 4.157 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccccc1C(=O)c1ccccc1 3504389 ZCZBCSYYHKNGCU-OAHLLOKOSA-N 448.431 4.018 5 20 IIBD C[C@@H](OC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 12259396 MNHKPLMOQZCLOJ-CYBMUJFWSA-N 443.843 4.406 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c2)cc1F 15409597 JDPYJMRPRQTBJQ-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD COc1ccc(-c2nnc(Sc3ccc(F)cc3[N+](=O)[O-])n2C[C@@H]2CCCO2)cc1 25369739 OOLZRJPUGUVSEM-INIZCTEOSA-N 430.461 4.331 5 20 IIBD COc1ccccc1-c1nn(CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)c(=S)n1C 27533190 WTXLSNGRTMKDEI-UHFFFAOYSA-N 433.921 4.278 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC(c2nc3ccccc3s2)CC1 32041211 NCUHHHPKCAAQLG-UHFFFAOYSA-N 433.493 4.410 5 20 IIBD CCOc1ccc([C@@H](C)NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1OC 46623717 MZYGVUXJINHAAC-QGZVFWFLSA-N 430.504 4.439 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)cc1C 60443576 YMAKANRXPMQRPO-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD CCN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccc(Br)cn1 110041246 BHRYUTWGRWMPAM-UHFFFAOYSA-N 429.068 4.182 5 20 IIBD C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 111040712 YUIFKYHTVWJJTO-HNNXBMFYSA-N 425.464 4.016 5 20 IIBD C[C@@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 301288007 ZXZLHOSBVXVWFB-LLVKDONJSA-N 439.440 4.113 5 20 IIBD O=[N+]([O-])c1ccc(Nc2cccc(C[S@](=O)C3CCOCC3)c2)cc1OC(F)F 301967717 WPBUZKOTVJBEQH-LJAQVGFWSA-N 426.441 4.368 5 20 IIBD Cc1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)ccc1F 303125264 ADIIXWCEHMCZPK-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD COc1ccc(CCN(Cc2ccccc2)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)cc1 303174064 SAFCPRKCBZKGJD-UHFFFAOYSA-N 430.464 4.365 5 20 IIBD Cc1ccccc1COc1cccc(CC(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 303819918 XISPXKOUDDTFDB-NRFANRHFSA-N 446.507 4.133 5 20 IIBD CCOc1cc(C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)c([N+](=O)[O-])cc1OC 409477728 BZMGXMOKEBFLOI-UHFFFAOYSA-N 441.415 4.259 5 20 IIBD CC[C@H](NC(=O)c1ccc(C(=O)N[C@@H](CC)c2ccncc2)c([N+](=O)[O-])c1)c1ccncc1 426779559 JABWITVXEKNXDI-SFTDATJTSA-N 447.495 4.147 5 20 IIBD Cc1cc(NC(=O)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c2cccnc2c1C 427897831 UMUCOYIVZUEUHZ-UHFFFAOYSA-N 446.385 4.034 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)c1cccc(O)c1 429938112 DWDYWONQWKZNOZ-GFCCVEGCSA-N 443.506 4.329 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)cc1 430021192 QSMMNWBOXGXNER-MRXNPFEDSA-N 429.267 4.022 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CN[C@H](CO)c1ccc(Br)cc1C(F)(F)F 430236907 CHQWGYSNEFWIGG-OAHLLOKOSA-N 449.223 4.208 5 20 IIBD C[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C[C@]2(CCCOC2)O1 432163696 OXLSLITVXILCMY-ZHRRBRCNSA-N 427.457 4.189 5 20 IIBD CCCN(C(=O)c1ccccc1NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(C)C 433596306 NFYNNUFBGNNCBF-UHFFFAOYSA-N 433.530 4.273 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](C)c1nc(-c2cccc(F)c2)no1 437134298 DQXXHGUQQSCGJX-GHMZBOCLSA-N 434.811 4.082 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(NC)c(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c1 439133856 UFDLGECLFBOWOQ-UHFFFAOYSA-N 448.545 4.043 5 20 IIBD C[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C[C@@]2(CCO[C@@H]2C)O1 442807245 DSCSOUZXIVZOIF-XCGNWRKASA-N 428.510 4.155 5 20 IIBD Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 443797920 FHCBRCKGTACLGV-AWEZNQCLSA-N 446.301 4.157 5 20 IIBD C[C@H](C(=O)Nc1ccc(C(=O)NC2CCCCC2)c(O)c1)c1ccc([N+](=O)[O-])cc1F 444396178 XPAWAXNVTRCTNI-ZDUSSCGKSA-N 429.448 4.244 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc([C@H](C)Oc3cccc(Br)c3)n2)c1 445573560 WBUFDBNXIIEGNI-NSHDSACASA-N 434.246 4.480 5 20 IIBD COc1nc(C)c(Br)cc1-c1noc(Cn2ccc3cc([N+](=O)[O-])ccc32)n1 445996445 PURCWJINOVZURT-UHFFFAOYSA-N 444.245 4.122 5 20 IIBD O=C1N[C@@](c2ccccc2)(C(F)(F)F)C(=O)N1Cc1ccc([N+](=O)[O-])cc1C(F)(F)F 448101773 QHEPAHXDSUUNHD-MRXNPFEDSA-N 447.291 4.123 5 20 IIBD CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 460448862 NWQZQNBEEBHWAC-SFHVURJKSA-N 425.485 4.071 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)cc1[N+](=O)[O-] 460485700 FLDDUSGNCZKVMI-UWWQBHOKSA-N 429.477 4.136 5 20 IIBD CCN(Cc1ccc(CN(C)C)cc1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 462157284 RXWKBQOBYIRNQW-UHFFFAOYSA-N 446.356 4.174 5 20 IIBD O=[N+]([O-])c1ccc(OC(F)F)c(CNCc2cc(Br)cc3c2OCC3)c1 462521865 DQRLUEIHDDMDOZ-UHFFFAOYSA-N 429.217 4.183 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NC[C@H](OC)c2ccccc2)c([N+](=O)[O-])c1 462778934 QFQBQTDFMSVDQR-QFIPXVFZSA-N 434.448 4.412 5 20 IIBD COc1ccc(-c2ncc(C(=O)Nc3cc(C)nn3-c3ccc([N+](=O)[O-])cc3)s2)cc1 463547338 NURZFGMFGWSBFD-UHFFFAOYSA-N 435.465 4.473 5 20 IIBD CCCCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 464074115 NZQSMJFMYPTVEW-UHFFFAOYSA-N 445.419 4.408 5 20 IIBD CCOc1ccc(C(=O)CCC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 464664536 QSZQCYVTFKJGCE-UHFFFAOYSA-N 426.469 4.026 5 20 IIBD Cc1cccc(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1I 466292732 FHQOEIVCULYHNH-UHFFFAOYSA-N 430.629 4.091 5 20 IIBD O=C1CC[C@@]2(C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)Sc3ccc(Cl)cc3N12 466302371 FQZPSJZIPQJZCC-SFHVURJKSA-N 438.292 4.147 5 20 IIBD CN(Cc1cccc(Br)c1OCC(C)(C)O)c1ncc(Cl)cc1[N+](=O)[O-] 466410077 QENHYENYNLMQTI-UHFFFAOYSA-N 444.713 4.192 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 467216789 LJSBGUKZJPUVQY-QGZVFWFLSA-N 428.247 4.324 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccccc1Oc1cc(F)cc(F)c1 469710205 OXURUOXVNPXLOL-UHFFFAOYSA-N 441.346 4.212 5 20 IIBD CCN1CCN(c2cccc(NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])c2)CC1 471619715 GVFDETWKQRVKQB-UHFFFAOYSA-N 434.949 4.121 5 20 IIBD Cc1cc(-c2noc([C@@H](C)NC(=O)c3ccc(Br)cc3[N+](=O)[O-])n2)ccc1F 472394237 DYQFTIFSKYUQMC-SNVBAGLBSA-N 449.236 4.346 5 20 IIBD C[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])c1nc(-c2ccc(Br)cc2)no1 472669343 SOZXNTMDYDNZOO-SECBINFHSA-N 435.209 4.037 5 20 IIBD O=C(Nc1cccc(N2C(=O)CCCC2=O)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 473653878 ZDQCYGFYZYSRBI-UHFFFAOYSA-N 436.449 4.014 5 20 IIBD COc1cccc(N(C)Cc2cccc(NS(=O)(=O)c3ccccc3)c2)c1[N+](=O)[O-] 475426294 ZHUZEUHLUOWHTF-UHFFFAOYSA-N 427.482 4.041 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](CO)c1c(Cl)cccc1Cl 478488827 HHVFFRYWEPDEJH-ZANVPECISA-N 433.675 4.172 5 20 IIBD CC(C)Oc1ccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1C(N)=O 478536017 QHFKPSQYEQWBFR-UHFFFAOYSA-N 434.452 4.477 5 20 IIBD COCCN(Cc1sccc1Br)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 478793182 HWINDFIERMOYBO-LBPRGKRZSA-N 442.335 4.338 5 20 IIBD COc1cc(C(=O)N2CCO[C@H](c3ccc(Br)cc3)[C@@H]2C)cc([N+](=O)[O-])c1C 478840554 SOOGUIHSRODXTN-DJJJIMSYSA-N 449.301 4.277 5 20 IIBD CCOc1cc(N2CCN([C@H](C)c3nc(-c4ccccc4C)no3)CC2)ccc1[N+](=O)[O-] 481759012 FFNGLIZPFFASEB-QGZVFWFLSA-N 437.500 4.235 5 20 IIBD CC(=O)NCC1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 483075412 VRAGLAVTSCLFPF-UHFFFAOYSA-N 431.876 4.029 5 20 IIBD COc1cccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])c1 483319290 AFKLMBQLUPHUPV-KRWDZBQOSA-N 446.525 4.155 5 20 IIBD Cc1ccc(-c2ccc(Cl)cc2NC(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])o1 483678156 CKUKKOZBDPPQQU-UHFFFAOYSA-N 427.844 4.414 5 20 IIBD COc1ccc([C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c2cccc(S(C)(=O)=O)c2)cc1 483811534 XKNAGUPTBXWGNL-HJPURHCSSA-N 440.521 4.447 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCC[C@H](c2ccc(F)cc2)CC1 484374570 QPDXPXBDYMLRDU-INIZCTEOSA-N 441.459 4.218 5 20 IIBD COC(=O)CSCc1cccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 485258441 SWIWHFGVHHCJAH-UHFFFAOYSA-N 443.506 4.377 5 20 IIBD O=C(NCc1ccccc1Cn1cccn1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 486364287 GIFVXLUPWPJVGR-UHFFFAOYSA-N 442.475 4.349 5 20 IIBD Cc1cc(C)n(Cc2cccc(C(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)c2)n1 486744115 LTFVHRQCEYEMAD-UHFFFAOYSA-N 432.402 4.405 5 20 IIBD COC(=O)c1c(Br)ccc(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1C 486765428 WRLWSKGDKCHONU-LLVKDONJSA-N 436.262 4.335 5 20 IIBD CC(=O)N[C@@H](CC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(Br)cc1 488086985 FKYGEZMYXGLWBW-ACJLOTCBSA-N 448.317 4.110 5 20 IIBD COc1ccc(OCCSc2nnc(-c3ccco3)n2Cc2ccco2)c([N+](=O)[O-])c1 489422379 HDPKVUUTQJPNBL-UHFFFAOYSA-N 442.453 4.267 5 20 IIBD NS(=O)(=O)c1ccc(NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)cc1 490065075 DUAOLYMOVBSIHT-UHFFFAOYSA-N 433.873 4.300 5 20 IIBD O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 494294717 BWJXKPLEOXGEOK-UHFFFAOYSA-N 433.255 4.073 5 20 IIBD O=C(c1ccc2c(c1)nc(O)n2CC(F)(F)F)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 497581074 SMIHJXDZGAOLDR-UHFFFAOYSA-N 434.374 4.017 5 20 IIBD CCCc1[nH]nc(C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1[N+](=O)[O-] 497830296 APNBNADXUMFTQU-ZDUSSCGKSA-N 439.447 4.153 5 20 IIBD O=C(NCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1sc2ccccc2c1Cl 498038069 IYTFWZUQTGUXRO-UHFFFAOYSA-N 443.912 4.384 5 20 IIBD COc1cc(C(=O)Nc2cccc(C(=O)N3CCCC3)c2C)c([N+](=O)[O-])cc1OC(F)F 499585900 NRQBYGNVVNJMSA-UHFFFAOYSA-N 449.410 4.002 5 20 IIBD Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 499874367 UVNIGCPMSHZJAY-UHFFFAOYSA-N 429.230 4.379 5 20 IIBD Cc1[nH]c2ccccc2c1C1=CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 500698646 ZXAAYNQOOBZYBL-UHFFFAOYSA-N 425.510 4.046 5 20 IIBD O=C(Nc1ccc(CC(=O)N2CCc3ccccc32)cc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 502243486 NPLUKHZECCJUOF-UHFFFAOYSA-N 440.459 4.460 5 20 IIBD COc1ccc(CSCC(=O)N2CC[C@H](Oc3ccccc3Cl)C2)cc1[N+](=O)[O-] 502312521 QCCHRHUOCFGUKP-HNNXBMFYSA-N 436.917 4.170 5 20 IIBD COC(=O)C[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(Br)cc1 503973964 JTLWPFDVKAKYDQ-INIZCTEOSA-N 436.262 4.092 5 20 IIBD COc1ccc(-c2nc(C)c([C@H](C)NC(=O)COc3ccc([N+](=O)[O-])cc3)s2)cc1 505136121 QHVGHIWFORFECU-ZDUSSCGKSA-N 427.482 4.292 5 20 IIBD CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 509432272 LYQQKTSNWHERSF-MGPUTAFESA-N 431.514 4.094 5 20 IIBD Cc1nn(CCC(=O)N2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)c(C)c1[N+](=O)[O-] 509835974 CKUASCWSDURGTB-GOSISDBHSA-N 438.532 4.135 5 20 IIBD COc1cc(C)c([C@H](C)NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1OC 510855642 YNHBJUCFZCAOCM-NSHDSACASA-N 425.388 4.405 5 20 IIBD O=C1NCCN1C1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 511759330 UCAALCZUVAFQLT-UHFFFAOYSA-N 430.892 4.030 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N(Cc1ccccc1Cl)C1CCCC1 511912791 SGEZCLFXPOCTFJ-UHFFFAOYSA-N 429.860 4.128 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)Nc1ccc(OC(F)F)cc1)c1ccccc1[N+](=O)[O-] 515223827 LZKKVQQFCOKPPO-MRXNPFEDSA-N 437.399 4.401 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2cn3ccc(C)cc3n2)cc1 515985815 NKDSHBUAKGOYTA-UHFFFAOYSA-N 432.436 4.282 5 20 IIBD COc1ccc(Br)c(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 522893137 NOQWUUFCOOCSGH-UHFFFAOYSA-N 434.290 4.221 5 20 IIBD CCN(C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])c1ccc(Br)cn1 523997179 OKLMDSNNKVBKHQ-UHFFFAOYSA-N 446.204 4.029 5 20 IIBD COc1cc(C(=O)NCCCOc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1OC 525066371 PBHYAWZXTFAMQG-UHFFFAOYSA-N 429.256 4.118 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(-c3noc(CC(C)(C)C)n3)cc2)cc([N+](=O)[O-])c1 525584954 JFDNHSWPHDMLDG-UHFFFAOYSA-N 438.440 4.272 5 20 IIBD COc1cc(C(=O)N2CCC[C@H]2c2ccc(Br)cc2)cc([N+](=O)[O-])c1OC 530743597 ZPKXEPQCMZJMEJ-HNNXBMFYSA-N 435.274 4.352 5 20 IIBD Cn1cc(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C2CCCCC2)n1 531125792 TZWVYUSCVLSLPW-UHFFFAOYSA-N 439.438 4.237 5 20 IIBD CCOc1cc(N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)ccc1[N+](=O)[O-] 531388047 AURNNHCNISNBOI-UHFFFAOYSA-N 443.891 4.019 5 20 IIBD Cc1ccc(-c2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)n[nH]2)s1 532612381 ULRYSIODBKBWEO-UHFFFAOYSA-N 432.405 4.174 5 20 IIBD COc1ccccc1CN(C)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 532761056 UBLNVVZGTPUDDF-CQSZACIVSA-N 426.498 4.186 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 534694300 CEJPLCCAYZNHJK-CYBMUJFWSA-N 428.436 4.202 5 20 IIBD COc1ccccc1COc1cccc(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)c1C 534733011 ARIIJGPACXFGDX-UHFFFAOYSA-N 438.484 4.333 5 20 IIBD C[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 536805953 LHBQILRJORINQE-JKSUJKDBSA-N 429.498 4.078 5 20 IIBD O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1O)c1cccc(NS(=O)(=O)c2ccccc2)c1 537545171 GGLGVHNZFAQNAB-UHFFFAOYSA-N 447.856 4.007 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCO[C@@H](C(C)C)C1 537837354 QSDUPTXWMAACMW-FOIQADDNSA-N 449.529 4.020 5 20 IIBD COc1ccccc1-c1nc(Cn2cc([N+](=O)[O-])c(C)c(Br)c2=O)cs1 542217276 OURBAYAYFZGGNC-UHFFFAOYSA-N 436.287 4.008 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)cc1 542255096 YKNZTZPOPBZXCO-QFIPXVFZSA-N 446.475 4.220 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)c1c(C)nn(Cc2ccc(Cl)cc2)c1C 542261291 JTQCJRKXHBLFIA-UHFFFAOYSA-N 428.876 4.048 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)Cc1c(C)nn(-c2ccccc2C)c1C 542451787 PGFGRIOBWDHBEF-UHFFFAOYSA-N 437.500 4.056 5 20 IIBD O=C(CCCOc1ccc2c(c1)CCC(=O)N2)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 542927833 PRAVAXNLXZHIGB-UHFFFAOYSA-N 437.374 4.296 5 20 IIBD Nc1cccc([N+](=O)[O-])c1C(=O)Nc1nc(Cc2ccccc2Br)cs1 543306467 LOTWINBUCFVQQS-UHFFFAOYSA-N 433.287 4.239 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)[C@@H](C)c1ccccc1C(F)(F)F 544461759 JZHQEAOOCUBPRB-CHWSQXEVSA-N 425.407 4.343 5 20 IIBD O=[N+]([O-])c1ccc(OCc2nc(Cc3c[nH]c4ccc(Br)cc34)no2)cc1 544739981 WWPYREPQRCEFAZ-UHFFFAOYSA-N 429.230 4.391 5 20 IIBD NC(=O)c1ccc(Cc2noc(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)n2)cc1 546335126 XXAMCQMFGSDHMK-UHFFFAOYSA-N 432.461 4.486 5 20 IIBD COc1ccc(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)cc1Br 547196672 YULVETHWMAPFPN-UHFFFAOYSA-N 429.230 4.488 5 20 IIBD CC(C)CCN(C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CCCC1 551750811 USPXYRVHJOTQFA-UHFFFAOYSA-N 426.311 4.113 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCOC[C@H]1[C@H]1CCCO1 553016380 UFMMFAUZADBVRT-RBUKOAKNSA-N 432.860 4.061 5 20 IIBD CC1(C)C(=O)N[C@@H]1C1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 554650666 KQXHHHHXINSQFN-HXUWFJFHSA-N 439.537 4.123 5 20 IIBD COc1cc(Cc2noc(-c3ccc(OC(C)C)c(OC)c3)n2)c([N+](=O)[O-])c(OC)c1 556016201 KBYBXDYBSGSDAF-UHFFFAOYSA-N 429.429 4.049 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(Oc2cncc(Cl)c2)CC1 567201055 ILIZPCYVFISCFJ-UHFFFAOYSA-N 442.324 4.459 5 20 IIBD Cc1cnc(-c2cnn(C)c2NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 572182532 CSXWFILLGJMYRT-UHFFFAOYSA-N 441.391 4.041 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCc3nc(-c4ccccc4Cl)sc3C2)cc1 572828909 CRDVDHLKMPRKCC-UHFFFAOYSA-N 449.941 4.260 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)NCCc2c[nH]c3cccc(Br)c23)c1 574126797 GHQHLHNALZONNI-UHFFFAOYSA-N 432.274 4.210 5 20 IIBD CCC[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 579067601 MVKZGFKFUFOJMK-HTAPYJJXSA-N 438.528 4.222 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2csc(-c3ccccc3)n2)ccc1[N+](=O)[O-] 588080156 GXZFXLZFHPXENR-SFHVURJKSA-N 436.493 4.270 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2c2nc(-c3ccnc(OC(C)C)c3)no2)ccc1[N+](=O)[O-] 589112133 WDBMWJMSKSNEOB-GOSISDBHSA-N 437.456 4.113 5 20 IIBD O=C(c1ccccc1)N(Cc1noc(-c2cc([N+](=O)[O-])ccc2C(F)(F)F)n1)C1CC1 590270745 NQCWXLQYMBTMMR-UHFFFAOYSA-N 432.358 4.468 5 20 IIBD C[C@H](Oc1ccc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cn1)c1ccccc1 603729827 SSHYEZAITJOCKF-SFHVURJKSA-N 432.480 4.092 5 20 IIBD COc1cc(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)ccc1OC1CCCC1 603761942 YVBSFVBZDBGMKF-UHFFFAOYSA-N 425.485 4.429 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)Nc1ccc(Cl)cc1 603943397 CAPYCOQEYXALIN-UHFFFAOYSA-N 430.892 4.315 5 20 IIBD Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NC(=O)CCOc1ccccc1[N+](=O)[O-] 603977253 ZFRFIKPRKOFDLU-CALCHBBNSA-N 439.512 4.429 5 20 IIBD CCOc1ccc(-c2nc(NC(=O)CCn3nc(C)c([N+](=O)[O-])c3C)sc2C)cc1 608802646 MMMSBKOEVOYJDK-UHFFFAOYSA-N 429.502 4.268 5 20 IIBD O=C(N[C@H]1CCCc2occc21)c1ccc(C(=O)N[C@@H]2CCCc3occc32)c([N+](=O)[O-])c1 609043671 IFHZOQIJVDFJLG-RBUKOAKNSA-N 449.463 4.396 5 20 IIBD CSc1nnc(CCCNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)n1C1CCCC1 609085122 YCJLJQNYYOOVRU-CQSZACIVSA-N 432.550 4.016 5 20 IIBD Cc1ccc(-c2ccncc2)cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 609503606 FCMZVZHELIXBHQ-SFHVURJKSA-N 436.493 4.270 5 20 IIBD O=C(N[C@H]1CCCN(c2cccc(F)c2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 609698772 CGGMFEHJQSCLRW-INIZCTEOSA-N 426.473 4.256 5 20 IIBD COC(=O)c1ccc2nc(S[C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)oc2c1 609751929 BXNJWLTWBYSHHO-JTQLQIEISA-N 426.410 4.426 5 20 IIBD C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cc1 609761884 GWXNQEMQGCTXLD-AWEZNQCLSA-N 434.452 4.116 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(OCC2CCOCC2)cc1 609908536 BKWDUASIQOKFQL-UHFFFAOYSA-N 434.876 4.461 5 20 IIBD COc1cc(C(=O)NCc2ccc(-c3ccncc3)cc2)c([N+](=O)[O-])cc1OC(F)F 610052369 GAQFAOIXWDWVFA-UHFFFAOYSA-N 429.379 4.197 5 20 IIBD CN(C(=O)CCc1nc(-c2cc(Br)cs2)no1)c1cccc([N+](=O)[O-])c1 611090382 STWZWUBIJTVVQI-UHFFFAOYSA-N 437.275 4.064 5 20 IIBD COc1ccc(CN(C)[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cn1 611209132 GXDMKGGNMPPMKL-OAQYLSRUSA-N 440.887 4.464 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(Cc2nc3cc(Cl)ccc3s2)no1 612884645 UJUITFJYCWHTQC-SNVBAGLBSA-N 443.872 4.323 5 20 IIBD O=C(N[C@@H]1COc2c(Cl)cccc21)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 672868035 QQBHXOZEOQXPGO-GOSISDBHSA-N 426.806 4.476 5 20 IIBD O=C1CN(CN(Cc2ccc3ccccc3c2)C2CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 726587114 UVDQXDWFTQZOBL-UHFFFAOYSA-N 430.464 4.139 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(OCc2ccccc2Oc2ccccc2)c([N+](=O)[O-])c1 728444365 WXBREYIMHIWACJ-UHFFFAOYSA-N 444.421 4.278 5 20 IIBD COc1ccc([N+](=O)[O-])cc1OC(=O)C[C@H](NC(=O)c1ccc(C)cc1)c1ccccc1 729825532 JXWSOUXHHQJLSS-FQEVSTJZSA-N 434.448 4.379 5 20 IIBD CCOc1ccc(NC(=O)c2ccc(I)c([N+](=O)[O-])c2)c(C)c1 730480833 FDWMIWMPUZFRIF-UHFFFAOYSA-N 426.210 4.159 5 20 IIBD C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F 730634712 DIFVXLHNLNLUFB-JTQLQIEISA-N 429.231 4.401 5 20 IIBD C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(c2nc3ccccc3[nH]2)CC1 731843515 MZTZMMFPOFXEAJ-ZDUSSCGKSA-N 427.892 4.331 5 20 IIBD O=C(Nc1ccc(Oc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])cc1)c1ccco1 731905865 YUNJEAXXWGCSMQ-UHFFFAOYSA-N 438.364 4.229 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc(-c2cccc(Br)c2)s1 732016028 JJDBFUKWUBVWHC-UHFFFAOYSA-N 448.302 4.194 5 20 IIBD CCOc1cc(NC(=O)c2cc(Cl)nc(N3CCCC3)c2)c([N+](=O)[O-])cc1OCC 732931617 ACPZXOCSRUVADT-UHFFFAOYSA-N 434.880 4.293 5 20 IIBD COC(=O)NCc1ccc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 735259772 YHBWKRFBRXGGAG-OAHLLOKOSA-N 449.467 4.271 5 20 IIBD O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H]1C[C@@H]1c1ccc2ccccc2c1 735351253 XAGTYYVZWPLRCS-UXHICEINSA-N 432.432 4.393 5 20 IIBD CCOC(=O)N[C@H]1CCCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 735367916 FDJSSHCOPAAVTJ-INIZCTEOSA-N 428.445 4.130 5 20 IIBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)OCc1ccc(Oc2ccccc2F)c(F)c1 736734736 DXEBVEGEPSHAJV-UHFFFAOYSA-N 442.374 4.139 5 20 IIBD O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 741439968 LTHLQJLHTJHANJ-UHFFFAOYSA-N 449.850 4.363 5 20 IIBD Cc1sc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2Br)c(C)c1C 745072724 SFVHBOKBGWTMSQ-UHFFFAOYSA-N 427.276 4.140 5 20 IIBD C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NC12CC3CC(CC(C3)C1)C2 745567602 NDDXUWQSVYXNDY-ABROSTTOSA-N 440.418 4.244 5 20 IIBD O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCO[C@@H](c2cccc(Br)c2)C1 749935287 UZBDFUQRXIEPAF-OAHLLOKOSA-N 425.666 4.224 5 20 IIBD O=C(NCc1ccccn1)c1ccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1Cl 750185096 YGJDNHKVWJJBLM-UHFFFAOYSA-N 445.262 4.479 5 20 IIBD CC(=O)Nc1cccc(NC(=O)[C@H](OC(=O)c2cccc(Cl)c2[N+](=O)[O-])C(C)C)c1 750541540 QPFOHEGUSWUWIX-GOSISDBHSA-N 433.848 4.027 5 20 IIBD CC[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](O)c1c(F)cccc1F 752615335 JILWMKLWOMGBNG-SCLBCKFNSA-N 430.860 4.247 5 20 IIBD COc1cc(N)c([N+](=O)[O-])cc1C(=O)O[C@H](c1ccccc1)c1nc(-c2ccccc2)no1 753455921 WSTHGRQZEPYLHN-HXUWFJFHSA-N 446.419 4.182 5 20 IIBD Cc1c(Br)cc(C(=O)N[C@H](C)C[C@@H](O)c2ccc(F)cc2)cc1[N+](=O)[O-] 753657651 XWGFCAWMOZKBIH-BMLIUANNSA-N 425.254 4.047 5 20 IIBD COC(=O)C(C)(C)c1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1 755013464 LEADDULHVGUVBC-UHFFFAOYSA-N 439.237 4.199 5 20 IIBD C[C@H](OC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccccc1Br 755063659 NECZRQRUIWKCCL-QWRGUYRKSA-N 439.237 4.170 5 20 IIBD O=C(OCc1cnn(Cc2ccccc2)c1)c1cc([N+](=O)[O-])c(Br)cc1F 757716760 IHPWOULXCDRKEH-UHFFFAOYSA-N 434.221 4.098 5 20 IIBD O=C(NC1CC1)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2Br)ccc1Cl 758093712 SACQDEGGEJDCNR-UHFFFAOYSA-N 438.665 4.155 5 20 IIBD COc1ccc([C@H](OC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](C)n2cccn2)cc1 759314510 WVQQYIGMGAKRIR-IQMFZBJNSA-N 434.452 4.369 5 20 IIBD O=C(NCC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 760735141 XLGTWAMAUZROTL-LJQANCHMSA-N 438.311 4.355 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(Cc3ccc(Br)cc3)no2)ccc1-n1ccnc1 761308873 PFFGYNXYOVUOEK-UHFFFAOYSA-N 426.230 4.184 5 20 IIBD O=C(OC[C@H]1CC2(CC2)C(=O)O1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 763049396 CVDVUGJIGYQVPU-OAHLLOKOSA-N 430.844 4.113 5 20 IIBD O=C(COC/C=C/c1ccccc1)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 763196720 WBOGSFMLKNMDOF-VMPITWQZSA-N 432.432 4.483 5 20 IIBD Cc1ccc(S(=O)(=O)N(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c2ccc(O)cc2)cc1 763953349 HTEYSAIOHKJPOM-MRXNPFEDSA-N 440.477 4.134 5 20 IIBD CC(C)Oc1cncc(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)c1 764929634 ISCMJPJHIOUPTD-LJQANCHMSA-N 441.484 4.019 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C)C(=O)Nc1ncc(Cl)cc1Cl 765528172 UEEZSPZKLVFDTE-YPMHNXCESA-N 440.283 4.436 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 766243118 ZTUHPYUCHCBFDD-QGZVFWFLSA-N 444.444 4.324 5 20 IIBD Cc1sc(S(=O)(=O)Oc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)cc1[N+](=O)[O-] 767596947 NSFLCUWDKLUZMH-NSHDSACASA-N 442.515 4.318 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)[C@@H](O)c1ccccc1 768640795 QGPIZWNRFIAEJF-PMACEKPBSA-N 440.839 4.205 5 20 IIBD O=C(CCC(=O)c1ccc(Cl)cn1)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 769313392 UGZCBTHOONASCQ-OAQYLSRUSA-N 425.828 4.334 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@@H](F)c3ccccc3)cc2)cc1[N+](=O)[O-] 769537780 LUJKYYWGMFBHQW-FQEVSTJZSA-N 443.456 4.353 5 20 IIBD COc1ccc(NC(=O)[C@@H](OC(=O)c2cccc(OC)c2[N+](=O)[O-])c2ccccc2)cc1 769599948 ARWMYSGQDDGMAY-NRFANRHFSA-N 436.420 4.149 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1cc(N2CCCC2=O)ccc1Cl 770321978 BMCZRNYEUFADDT-UHFFFAOYSA-N 438.665 4.390 5 20 IIBD Cc1cc(C(=O)Nc2nc(-c3ccc(Br)cn3)cs2)c(N)c([N+](=O)[O-])c1 774321444 KXEPKNUWIPJLTP-UHFFFAOYSA-N 434.275 4.019 5 20 IIBD Cc1ccc(C(=O)NCC(F)(F)F)cc1NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 777634414 KWBUSMXCBXWPQH-UHFFFAOYSA-N 436.434 4.276 5 20 IIBD C[C@H](OC(=O)c1csc(-c2ccc(F)c(F)c2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 780134273 FPEHWRGLNNDILX-JTQLQIEISA-N 433.392 4.181 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])c(F)c1)C1(c2ccc(Br)cc2)CCOCC1 783354985 MDOMLCYNCYVDOI-UHFFFAOYSA-N 438.249 4.288 5 20 IIBD CC(C)(C(=O)OCc1nnc(-c2ccccc2Br)o1)c1ccc([N+](=O)[O-])cc1 783765649 RTLXIAFFPUQKGJ-UHFFFAOYSA-N 446.257 4.428 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 784531547 QXNQPPNOGAQRNN-OAHLLOKOSA-N 430.386 4.429 5 20 IIBD C[C@@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@H](C)c1cc2ccccc2o1 785949245 OHKPQCULZDRHFL-CHWSQXEVSA-N 430.844 4.346 5 20 IIBD COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 786879238 HFKITESSBLOSMP-SNVBAGLBSA-N 435.285 4.116 5 20 IIBD Cc1cccnc1C(F)(F)C(=O)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 787069027 GPCQFUZYTTUBQG-KRWDZBQOSA-N 447.438 4.018 5 20 IIBD CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl 788215141 PMCHNLBDFUDFNQ-QGZVFWFLSA-N 442.903 4.101 5 20 IIBD O=C(CN[C@H](c1cncc(Br)c1)C1CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 792935923 SDGXEFVXXAOCJK-KRWDZBQOSA-N 439.697 4.085 5 20 IIBD Cc1ccc(CC2CCN(Cn3nc(-c4cccc([N+](=O)[O-])c4)ccc3=O)CC2)cc1C 793516165 AURLTGHUZCBECR-UHFFFAOYSA-N 432.524 4.348 5 20 IIBD CCc1[nH]nc(C(=O)O[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)C(C)C)c1[N+](=O)[O-] 795611304 FZYLZZNVQNRLIB-OAHLLOKOSA-N 429.260 4.007 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N(Cc1cc(Br)ccc1F)C1CC1 801808180 KWIHJAYIQINARP-UHFFFAOYSA-N 426.217 4.023 5 20 IIBD O=C(COC(=O)c1cc(F)c(C(F)(F)F)cc1F)Nc1ccc([N+](=O)[O-])cc1Cl 805594146 NBCCTUIWKOEYAF-UHFFFAOYSA-N 438.692 4.341 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)CCc2cncs2)c2ccccc2)c([N+](=O)[O-])c1 814584394 BAFJZGZWPCZTHB-FQEVSTJZSA-N 425.466 4.216 5 20 IIBD CCOC(=O)c1cc(C(=O)O[C@H](C(=O)Nc2cccc(C)c2C)C(C)C)cc([N+](=O)[O-])c1 877019787 RPSJCVLPANSACD-FQEVSTJZSA-N 442.468 4.208 5 20 IIBD CCOc1ccc(-c2noc(COC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)cc1 913229734 LLCUFFSSADHMCB-CYBMUJFWSA-N 429.454 4.268 5 20 IIBD C[C@@H](OC(=O)COc1ccccc1C(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 914981776 ZJYPYVQCWZEIEJ-SNVBAGLBSA-N 446.765 4.216 5 20 IIBD COc1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)cc1NC(=O)OC(C)(C)C 915077402 MONIAWKDYLPHNX-UHFFFAOYSA-N 427.417 4.079 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2cc(C(=O)N(C)C)ccc2Cl)CC1 915150431 GFLVLYRUCFBNEV-UHFFFAOYSA-N 444.919 4.439 5 20 IIBD O=C(OCc1csc(Cc2ccc(Cl)cc2)n1)c1cc2c(cc1[N+](=O)[O-])OCCO2 915232280 PPAFATKYZPASAK-UHFFFAOYSA-N 446.868 4.424 5 20 IIBD CC1=C(C(=O)N(C)C)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1c1ccc(C)cc1 916162860 ZKLDFEPLUCBZRB-IBGZPJMESA-N 428.876 4.190 5 20 IIBD Cc1cc(NC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])ccc1[N+](=O)[O-] 916994931 FPZDPKWMGIFUOU-INIZCTEOSA-N 430.417 4.016 5 20 IIBD Cc1c(C(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 917756837 QOQGGSPBBLBWGK-HNNXBMFYSA-N 436.424 4.276 5 20 IIBD Cn1c(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cc2ccccc21 918634345 RQKGNWCHPJJPRV-LJQANCHMSA-N 435.480 4.328 5 20 IIBD Cc1ccc(-c2noc(CN3CCN(c4ccc([N+](=O)[O-])cc4C(F)(F)F)CC3)n2)cc1 918755492 PXCXGJHALQVHCQ-UHFFFAOYSA-N 447.417 4.294 5 20 IIBD C[C@@H](OC(=O)c1cc(-c2ccccc2)no1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 919187449 USHGPJVBLZKLIG-LLVKDONJSA-N 449.341 4.453 5 20 IIBD COc1ccc(S[C@@H](C)C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 919515237 MQCBCHJZVGFXCT-OLZOCXBDSA-N 429.454 4.438 5 20 IIBD C[C@@H](c1ccc(Cl)cc1)N(CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)C1CC1 920305772 OZLHUPYVXAZKBK-RCDICMHDSA-N 442.903 4.198 5 20 IIBD COc1cc(C2SCCS2)ccc1OC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 921001146 QBKIUYFSJXQTMP-UHFFFAOYSA-N 437.495 4.075 5 20 IIBD CO[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1ccc(F)cc1 1116413348 KTSSKPZFBHJXSM-AWEZNQCLSA-N 431.645 4.267 5 20 IIBD O=C1[C@@H](c2ccccc2)N(Cc2ccccc2)C(=O)N1CN1Cc2ccc([N+](=O)[O-])cc2C1 1318895080 WNWBIDKFMBULSN-HSZRJFAPSA-N 442.475 4.074 5 20 IIBD CCN(CC)Cc1ccc(-c2nnc([C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)o2)o1 1322321555 RHMWCCFNSFMLMA-AWEZNQCLSA-N 445.501 4.118 5 20 IIBD Cc1c(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cnn1-c1ccccc1 1324233886 PHVAMIKXEFIEGP-UHFFFAOYSA-N 433.342 4.147 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)c3ccncc3F)CCC2)cc1 1785792119 SDIMDLQRXFYRCJ-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD Cc1onc(C(=O)Nc2ccc(C3(NC(=O)Cc4cccc([N+](=O)[O-])c4)CCC3)cc2)c1C 1786536543 DCPPKAGGMOMAOD-UHFFFAOYSA-N 448.479 4.190 5 20 IIBD Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc[nH]4)CCC3)cc2)cc1[N+](=O)[O-] 1790524778 OSPCJPDLCHGCJK-UHFFFAOYSA-N 432.480 4.222 5 20 IIBD C[C@@H]1CC[C@H](C(=O)NC2(c3ccc(NC(=O)c4cc(F)cc([N+](=O)[O-])c4)cc3)CCC2)O1 1790697418 IUSVVYSKXLUQHJ-JLTOFOAXSA-N 441.459 4.049 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)NC1(c2ccc(NC(=O)[C@@H]3C[C@]3(F)Cl)cc2)CCC1 1791670717 PDQOCSVVMSJXQY-PGRDOPGGSA-N 445.878 4.196 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2CCCC2)n[nH]1 1816680673 LLCSONUJUUFZLV-GOSISDBHSA-N 443.479 4.262 5 20 IIBD O=C(CCc1ccccc1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823611995 QFMIBZNDZOXRSD-FQEVSTJZSA-N 439.512 4.054 5 20 IIBD O=C(CC1CCC1)N1CCC([C@H]2CCCCN2C(=O)Cc2cc([N+](=O)[O-])ccc2F)CC1 1824948478 ZXRQZLFTHCVIPR-JOCHJYFZSA-N 445.535 4.086 5 20 IIBD O=C(CC1CCCC1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1 1830490885 OUYBUYDFXYQMAR-HXUWFJFHSA-N 443.544 4.114 5 20 IIBD O=C([C@@H]1C[C@@H]1C1CC1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830612899 LLZFVXJEETWOIQ-VSKRKVRLSA-N 443.519 4.013 5 20 IIBD Cc1cc(CCCC(=O)N2CCCC23CN(C(=O)CC2CCCC2)C3)c([N+](=O)[O-])cc1F 1841506281 GVNNVZHBYCLZFL-UHFFFAOYSA-N 445.535 4.149 5 20 IIBD Cc1c(C(=O)N2CCCC23CN(C(=O)C(C)(C)C(C)(F)F)C3)cc(Cl)cc1[N+](=O)[O-] 1845498843 YMTUOQLWQYLMHH-UHFFFAOYSA-N 443.878 4.055 5 20 IIBD C[C@H]1CC[C@H](C(=O)N2CCCC23CN(C(=O)c2cc4cc([N+](=O)[O-])ccc4s2)C3)CC1 1846687164 FINTULCTXOVTCY-WKILWMFISA-N 441.553 4.453 5 20 IIBD CC(C)c1ccc(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccccc3[N+](=O)[O-])C2)cc1 1847058040 CCFHZIUSOIIREK-OUKQBFOZSA-N 433.508 4.249 5 20 IIBD CCOc1ccc(CC(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 9033244 KHLPUQFDXQMLPW-GFCCVEGCSA-N 440.374 4.125 5 20 IIBD C[C@@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] 9638014 FUUMPLLFVKDDLU-GFCCVEGCSA-N 427.461 4.447 5 20 IIBD C[C@@H](NC(=O)COC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1Cl 10722980 BOAOUURWOGWKPE-MRXNPFEDSA-N 448.906 4.229 5 20 IIBD COc1cc(COC(=O)[C@H]2COc3ccc(Cl)cc3C2)c([N+](=O)[O-])cc1OC(F)F 10918232 JOLIPGSNORIEMN-GFCCVEGCSA-N 443.786 4.153 5 20 IIBD CC(=O)Nc1cc2ccccc2cc1C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 16413185 AOXMHNPCJHWTPJ-UHFFFAOYSA-N 441.827 4.155 5 20 IIBD CCOc1cc(C(=O)OCc2csc(-c3cccc(OC)c3)n2)c([N+](=O)[O-])cc1OC 19473769 WCKWIKLLBMQOON-UHFFFAOYSA-N 444.465 4.491 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)c([N+](=O)[O-])cc1OC 21901109 AKUOBWIRERPMSF-UHFFFAOYSA-N 441.362 4.232 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)nc2cc3ccccc3cc2c1=O 22178259 GLWSZORGVFUMFS-CQSZACIVSA-N 447.516 4.418 5 20 IIBD C[C@H](Oc1cccc(Cl)c1)C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 24898119 IFTXJYCQWRWNMF-MNOVXSKESA-N 427.240 4.239 5 20 IIBD Cc1csc(N(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c2ccccc2)n1 26768454 KZZDHDJNJYGHAN-UHFFFAOYSA-N 438.465 4.413 5 20 IIBD C[C@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(Br)cc1 28631668 MDNQAWAWZMWKFE-VIFPVBQESA-N 427.638 4.195 5 20 IIBD CCCCOc1ccccc1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 59828149 ZUHCDDPENVPEFX-UHFFFAOYSA-N 427.486 4.306 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 60190460 GUVBILFPYXQDRU-INIZCTEOSA-N 426.231 4.284 5 20 IIBD C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 64758134 TZDVOUQLXGNMSI-OAHLLOKOSA-N 438.450 4.448 5 20 IIBD CCCOc1ccc([C@@H](C)NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1OC 65061810 WNDULJBFECQTJN-OAHLLOKOSA-N 438.484 4.284 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccccc2N2CCOC2=O)cc1[N+](=O)[O-])c1ccccn1 110324334 WMSFYXSTLDVEDR-OAHLLOKOSA-N 447.451 4.372 5 20 IIBD O=C(NC1CC1)c1ccc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c([N+](=O)[O-])c1 301160390 RSFFGCDNADDQRA-IBGZPJMESA-N 436.295 4.372 5 20 IIBD C[C@H](c1ccccc1)N1CCC(Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC1 301317624 OOZLTRIHWDDNCR-QGZVFWFLSA-N 433.512 4.197 5 20 IIBD O=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1ccc(Br)c([N+](=O)[O-])c1 302751555 DGYWLTZIWONZDO-UHFFFAOYSA-N 427.258 4.284 5 20 IIBD CCS[C@@H](C)c1noc(CN(C)C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])n1 409687034 LEPSRVCLSGDXCB-JTQLQIEISA-N 448.423 4.005 5 20 IIBD COc1cc(Cc2noc([C@@H](C)[C@H]3OCCc4sccc43)n2)c([N+](=O)[O-])c(OC)c1 426606073 SXVBVTHEOYESPJ-JEOXALJRSA-N 431.470 4.065 5 20 IIBD CCN(C[C@H](O)C(F)(F)F)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 428496342 FIZZXRFXPXKPCL-INIZCTEOSA-N 432.782 4.426 5 20 IIBD COc1ccc(CNC(=O)CCc2cc(Cl)ccc2Br)cc1[N+](=O)[O-] 429818006 BNGBQQATAGYVMT-UHFFFAOYSA-N 427.682 4.268 5 20 IIBD CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 430143535 FPIIDRIFSFFBRU-UHFFFAOYSA-N 440.283 4.076 5 20 IIBD COc1ccc(C[C@H]2CCCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C2)cc1 431324182 UPHIDLRAHSBEOL-OAHLLOKOSA-N 433.302 4.461 5 20 IIBD Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)c2cccc([N+](=O)[O-])c2O)C3)cc1 436783155 KUSNMWOKMDQIBW-UHFFFAOYSA-N 446.463 4.451 5 20 IIBD O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 436977621 SCEFBIFMOIVONQ-UHFFFAOYSA-N 425.268 4.429 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1[N+](=O)[O-] 438790655 IGTPVDDJRPTDQD-QMMMGPOBSA-N 446.348 4.048 5 20 IIBD COc1ccc(-c2csc3ncnc(N4CC[C@H](Nc5ccc([N+](=O)[O-])cn5)C4)c23)cc1 443892719 ZONBILYLDMHVQW-HNNXBMFYSA-N 448.508 4.361 5 20 IIBD O=C(Nc1cc([C@H]2C[C@H]3CC[C@H]2C3)[nH]n1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444090045 XEMXTYNCQNELRG-HUBLWGQQSA-N 434.446 4.839 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1CCN(CC(F)(F)F)CC1 444407240 CPTQYQSKSAVHBW-UHFFFAOYSA-N 433.496 4.491 5 20 IIBD COc1ccc(C2(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CCOCC2)cc1F 444755301 CSTNMPYYWLRJCS-UHFFFAOYSA-N 446.478 4.265 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@@H](c3nccn3C)C2)c([N+](=O)[O-])c1 444799374 HYOGOXAYJLQGMI-DENIHFKCSA-N 433.512 4.196 5 20 IIBD CCCOc1ccc(-c2nc(-c3nc(-c4c([N+](=O)[O-])nc(C)n4C)no3)cs2)cc1 445618547 DCMKWUAQGBEJLE-UHFFFAOYSA-N 426.458 4.266 5 20 IIBD CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 446031450 MGZPMBCLQGSJJW-ZMZPIMSZSA-N 441.709 4.446 5 20 IIBD COC(=O)c1occc1CN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccccn1 446124439 AMKYVCYLQLTSQB-INIZCTEOSA-N 437.452 4.092 5 20 IIBD O=[N+]([O-])c1ccc2nc(CNCc3cn(-c4ccccc4)nc3-c3cccnc3)[nH]c2c1 446850094 VLNIOJKBMDMMNL-UHFFFAOYSA-N 425.452 4.009 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCC1(N2CCCCC2)CCOCC1 447672511 UREUMONZTZSVIY-UHFFFAOYSA-N 438.397 4.091 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)c1 460716784 HVOIGTPNZZAAHP-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD COc1cc2c(cc1OC)CN(c1nnc(-c3cccc([N+](=O)[O-])c3)n1CC(C)C)CC2 460737446 PIOHUQIAJMOOHJ-UHFFFAOYSA-N 437.500 4.089 5 20 IIBD CC[C@@H]1Oc2cc([C@@H](C)NC(=O)[C@H](CC)Cc3ccc([N+](=O)[O-])cc3)ccc2NC1=O 462599919 BYEQFWZSOYALAM-KKVAFCGZSA-N 425.485 4.150 5 20 IIBD C[C@@H](NC/C=C\c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1OCCCO 463029034 QABOFVTVQHSSPI-IJVDHGTGSA-N 435.318 4.483 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 463947504 GLQOOHGHNVGYLX-FQEVSTJZSA-N 432.908 4.060 5 20 IIBD CC(C)(C)c1nc2ccc(NC(=O)CSc3ccc(C(N)=O)cc3[N+](=O)[O-])cc2s1 464168158 NIOFQIALVOVBJQ-UHFFFAOYSA-N 444.538 4.332 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1cccc(NC(=O)Nc2ccccc2)c1 465051060 ORSIOHVCMPDAAE-UHFFFAOYSA-N 448.435 4.191 5 20 IIBD COc1cc(CN(C)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c(SC)cc1OC 467218093 NZNOPMJUEBGDBK-UHFFFAOYSA-N 439.921 4.329 5 20 IIBD O=C(c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)N1CCC[C@@H](CCCc2ccccc2)C1 469690419 KVKYVNGTZGFDRK-LJQANCHMSA-N 449.507 4.123 5 20 IIBD C[C@@H]1CN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H](C2CC2)O1 470691875 BLVZVRZDDVFQNE-HXOBKFHXSA-N 446.507 4.016 5 20 IIBD COc1cc(C(=O)Nc2ncccc2OCc2cccc(Cl)c2)cc([N+](=O)[O-])c1OC 471558683 GXQCSGKSJMQBET-UHFFFAOYSA-N 443.843 4.492 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@H](Cc1ccccc1Cl)c1ccccc1 472636348 FXADKFMOEJYNSV-HXUWFJFHSA-N 441.846 4.426 5 20 IIBD O=C(NC1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1)c1ccsc1 475218274 FZSPMROQKNHQGF-UHFFFAOYSA-N 442.419 4.101 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H](CO)Cc1ccccc1OC(F)(F)F 475547156 JBLQGZCFWONDNM-CQSZACIVSA-N 441.406 4.083 5 20 IIBD NC(=O)c1ccccc1Oc1ccc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1 477378947 WBGKVBPUXHOSKW-UHFFFAOYSA-N 430.420 4.079 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1N1C(=O)c2ccccc2C1=O 478552861 NGUXPZZOMXLCSM-UHFFFAOYSA-N 436.807 4.311 5 20 IIBD CCn1c(S[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)nnc1-c1ccc([N+](=O)[O-])cc1 481363372 JWRWQRCFVQOPCU-HUUCEWRRSA-N 437.525 4.332 5 20 IIBD CC(C)n1cc2c(n1)C[C@H](NC(=O)c1ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c1)CC2 481891366 JSNKTUFGEZMNSX-QFBILLFUSA-N 448.527 4.228 5 20 IIBD Cc1c(CNC(=O)Nc2cc(Br)ccc2-n2cccn2)cccc1[N+](=O)[O-] 484137942 WSYJDJZFDXGOFP-UHFFFAOYSA-N 430.262 4.173 5 20 IIBD COc1cc(CCNC(=O)C[C@@H](c2ccccc2)C(F)(F)F)c([N+](=O)[O-])cc1OC 484890756 GZQXRQGFYZTQRA-HNNXBMFYSA-N 426.391 4.007 5 20 IIBD O=C(CCSc1ccnc2cc(Cl)ccc12)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 487007666 RCQKOPKVAUJNOH-UHFFFAOYSA-N 445.932 4.339 5 20 IIBD Cc1cnc(N2CCN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)CC2)s1 487724765 PTGWJKIGQUYWOQ-UHFFFAOYSA-N 440.550 4.473 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)cc1Br 488596668 YCBZGTXEOSWOOR-UHFFFAOYSA-N 429.267 4.487 5 20 IIBD C[C@@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])C[C@H](c2cccc(C(F)(F)F)c2)O1 489414193 TVKVFFCNKIJYKD-AUUYWEPGSA-N 437.418 4.328 5 20 IIBD COc1cc(CN[C@@H]2CCN([C@H](C)c3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)F 494699067 YUPMDEMETDCYJB-CRAIPNDOSA-N 435.471 4.172 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCCC(=O)Nc3ccccc3)cc2[N+](=O)[O-])n1 499524141 ZWEIFKLWMSUJDL-UHFFFAOYSA-N 442.522 4.270 5 20 IIBD CC[C@@H](C)Sc1ccc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c(C(F)(F)F)c1 499594680 GMVATQLJRCALFY-LLVKDONJSA-N 429.420 4.305 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1cccc(OCc2cccc(F)c2)c1)c1cccc([N+](=O)[O-])c1 502695535 YCTMVNVSTGYABI-OAHLLOKOSA-N 437.427 4.129 5 20 IIBD COc1c(C)cnc(CN2CCC(N(C)C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2)c1C 503510989 OVISFMWCQBRQGC-UHFFFAOYSA-N 441.532 4.052 5 20 IIBD Cc1nn(C)c(C)c1CN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 505988715 XMFSUGJPOCIKMS-FQEVSTJZSA-N 427.892 4.068 5 20 IIBD Cc1nc2ccccc2c2c(NC(=O)C3CCN(C(=O)N(C)C)CC3)c3ccccc3n12 508385508 WPOSCNBKTBRIQX-UHFFFAOYSA-N 429.524 4.281 5 20 IIBD COc1ccccc1-c1csc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)n1 512706881 FWHSVUJZAZVARV-UHFFFAOYSA-N 435.465 4.380 5 20 IIBD O=C(Nc1nc2c(Br)cccc2s1)N1CCOc2ccc([N+](=O)[O-])cc2C1 515096424 KFMALBRLRAWKBF-UHFFFAOYSA-N 449.286 4.394 5 20 IIBD COc1ccc(CNC(=O)N[C@@H](C)CCc2ccc(Br)cc2)cc1[N+](=O)[O-] 518403909 XKQCYOYMGSBMNE-ZDUSSCGKSA-N 436.306 4.186 5 20 IIBD CSc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)n2)cc1 518652513 FHUMXGCHSXZRHJ-UHFFFAOYSA-N 449.535 4.096 5 20 IIBD O=[N+]([O-])c1cccc(-n2cc(-c3nc(-c4ccc(Oc5ccc(F)cc5)nc4)no3)nn2)c1 520297617 RVIRWBUSYODZFR-UHFFFAOYSA-N 445.370 4.219 5 20 IIBD CCCn1ccc2cc(NC(=O)c3cc(OC)c(OCCOC)cc3[N+](=O)[O-])ccc21 522161875 JFYIKKNSVHENRU-UHFFFAOYSA-N 427.457 4.246 5 20 IIBD CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 524451243 QHCAVVJCHVJXQB-UHFFFAOYSA-N 447.264 4.344 5 20 IIBD C[C@@H](C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc(F)c(F)c1 525116826 QAVHEDXGJPYOOT-GFCCVEGCSA-N 443.372 4.344 5 20 IIBD COc1ccc(-n2c(NC(=O)Cc3ccc(OC)c([N+](=O)[O-])c3)nc3ccccc32)cc1 525163185 GFUZGSZFVUSKSC-UHFFFAOYSA-N 432.436 4.132 5 20 IIBD COC(=O)[C@H](c1ccccc1)N(C)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 531595510 UTXBBVKUHSNQJI-QFIPXVFZSA-N 433.464 4.193 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1I 531623667 KDBBRHFRJJQWLQ-UHFFFAOYSA-N 431.617 4.175 5 20 IIBD Cc1cc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)n([C@H]2CCN(Cc3ccccc3)C2)n1 532527690 RIULNTTXQQNROF-IBGZPJMESA-N 444.495 4.280 5 20 IIBD O=C(Nc1nnc(Cc2ccc(F)cc2)s1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 532860364 FFKUCTLFQBORRE-UHFFFAOYSA-N 427.461 4.373 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC2(CC1)CCN(Cc1ccccc1)C2 534233106 ZPONQKLTEGQZJE-UHFFFAOYSA-N 436.556 4.220 5 20 IIBD Cc1nc(C)c([C@H](C)N(C)C(=O)c2cc(I)cc([N+](=O)[O-])c2)s1 534288007 JAFPWWWULJFMHD-VIFPVBQESA-N 445.282 4.106 5 20 IIBD CCS(=O)(=O)c1ccc(CCC(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)cc1 534594269 BQCIHERKHFNHBK-UHFFFAOYSA-N 430.526 4.297 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 536101658 ANCCJPJTIGXPRG-UHFFFAOYSA-N 440.415 4.058 5 20 IIBD O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 536252530 HCDSACVSDCZQMS-UHFFFAOYSA-N 426.820 4.136 5 20 IIBD CCOC(=O)c1sc2[nH]c([C@@H](C)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)nc(=O)c2c1C 537178558 NVMGFTSKMQBAKE-QWHCGFSZSA-N 444.513 4.098 5 20 IIBD O=C1C[C@H](Cc2ccc(NCc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)cc2)C(=O)N1 537729111 FDOFREABDOLWFB-AWEZNQCLSA-N 439.855 4.326 5 20 IIBD O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 538194753 LFTPAIXMTYRZAF-SFTDATJTSA-N 445.903 4.331 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)CCN(C)C)cc1 540391497 QYOGEYUYKBHILF-UHFFFAOYSA-N 430.530 4.238 5 20 IIBD Cc1cc(C(=O)NCC(=O)N2C[C@@H](C)C[C@@H]2c2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] 541148323 WUDJKEQMGSPQLR-ORAYPTAESA-N 449.429 4.262 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc(OC(F)F)cc1OC(F)F 541420348 XCSXQFJKXIWFFI-UHFFFAOYSA-N 433.314 4.128 5 20 IIBD COCC[C@H](N[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccco1 542529383 AUHUCVSHEXQMLN-BBRMVZONSA-N 430.486 4.006 5 20 IIBD COc1ccc(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)cc1[N+](=O)[O-] 542922991 FJGSYSZFASMVOR-UHFFFAOYSA-N 433.873 4.474 5 20 IIBD COC(=O)c1cnc(O)c(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)c1 543466472 FKPSDKHOWXXQCW-UHFFFAOYSA-N 431.470 4.017 5 20 IIBD O=C(CCNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)NC1CCCCC1 543470214 FMIXLFNXQZUBNV-UHFFFAOYSA-N 433.574 4.446 5 20 IIBD O=C1NCCc2ccc(CNC(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)cc21 544481627 KTUCPJWRCWYLID-UHFFFAOYSA-N 439.537 4.093 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(-c3ccc(S(=O)(=O)Nc4ccccc4F)cc3)n2)cc1 546259808 NKTFUFXZIUUFFY-UHFFFAOYSA-N 440.412 4.252 5 20 IIBD Cc1cccc(Oc2cc(CNS(=O)(=O)Cc3ccccc3[N+](=O)[O-])ccn2)c1C 546768307 BRCBADHTICLKKU-UHFFFAOYSA-N 427.482 4.019 5 20 IIBD CC(C)(NC(=O)c1nn(-c2ccc(F)cc2)cc1Br)c1ccccc1[N+](=O)[O-] 553719577 OVIOLTIFHWGQEG-UHFFFAOYSA-N 447.264 4.347 5 20 IIBD O=C(NCc1ccc(F)cc1)C1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 559130910 UJUVVSKVCREWLC-UHFFFAOYSA-N 439.409 4.281 5 20 IIBD COc1cccc([C@@H](C)N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)CC2)c1 559564341 JXKHJONYAGTFJB-CQSZACIVSA-N 437.418 4.141 5 20 IIBD COCCNC(=O)c1ccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1Cl 559993910 ZPTFLZWZZCWCMA-UHFFFAOYSA-N 446.916 4.360 5 20 IIBD CC1CCN(Cc2cccc(CN[C@H](c3cccc([N+](=O)[O-])c3)c3nccn3C)c2)CC1 569338521 CNGVTWNBUCBGJL-XMMPIXPASA-N 433.556 4.439 5 20 IIBD CCC[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C 576295171 CBEPULWCSDVFKI-TZMCWYRMSA-N 426.311 4.079 5 20 IIBD COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 591860643 DJGJNQPKMGSHHW-UHFFFAOYSA-N 442.493 4.003 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1Cc2ccccc2-c2ccccc21 603817338 BPGUNDIBZDTPTD-UHFFFAOYSA-N 429.432 4.497 5 20 IIBD O=C(c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CCC[C@@H]1C1CCCC1 604192927 NIRXKQOXGQIEDZ-OAQYLSRUSA-N 443.525 4.190 5 20 IIBD CCCCOc1ccc([C@@H](C)NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC 604470433 YQZVUSWGSYRWLP-MRXNPFEDSA-N 438.484 4.459 5 20 IIBD COc1cc(C(=O)NCCc2c[nH]c3cc(Cl)ccc23)c([N+](=O)[O-])cc1OC(F)F 604487019 JXJOGJCTUZVOIA-UHFFFAOYSA-N 439.802 4.312 5 20 IIBD Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 608819438 ZYJQVLFWXGJIOP-OAHLLOKOSA-N 428.920 4.387 5 20 IIBD COc1ccc(CC(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2C)cc1[N+](=O)[O-] 609009969 IATYIOXPFVVPSI-UHFFFAOYSA-N 435.484 4.078 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CCC(Cc2ccccc2)CC1 609030118 GQJNBYCUUMRDQH-UHFFFAOYSA-N 439.331 4.001 5 20 IIBD O=C(CC[C@H]1CCCCO1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 609502397 ZRWRCDRLJSYWGX-GOSISDBHSA-N 443.569 4.317 5 20 IIBD Cc1cc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)nnc1C 609644536 DFNIJWIINGEEIT-UHFFFAOYSA-N 428.452 4.036 5 20 IIBD COc1ccc(Br)c(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c1 609723538 BFTYRRAZKHXQEN-UHFFFAOYSA-N 443.681 4.105 5 20 IIBD COC(=O)c1ccc2nc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)oc2c1 609751984 MKISYLUNUPDKGE-VIFPVBQESA-N 435.845 4.295 5 20 IIBD CCOC(=O)c1ccnc(Nc2ccc(OC)c(NC(=O)C3CCCCC3)c2)c1[N+](=O)[O-] 609963701 HECCYUMJMHSJDZ-UHFFFAOYSA-N 442.472 4.438 5 20 IIBD COc1ccc(-c2nc(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)cs2)cc1OC 610046417 HWFFOTAFJJYWJV-UHFFFAOYSA-N 441.509 4.488 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(O[C@@H]4CCOC4)cc3)cc2[N+](=O)[O-])C1 610051824 NSCIKBJNVQKQHT-LLGFUMIMSA-N 439.512 4.497 5 20 IIBD C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CCC[C@@H](C[C@@H]2CCOC2)C1 611350814 TUNHFQRIIJQZEU-IKGGRYGDSA-N 444.557 4.184 5 20 IIBD CC[C@@H](C)n1ncc2c(C(=O)OCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cc(C)nc21 725954014 FECYCTZJLWCRST-CYBMUJFWSA-N 436.428 4.026 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)c([N+](=O)[O-])c1 727247754 LKPCTTRMZKLSQP-UHFFFAOYSA-N 449.253 4.220 5 20 IIBD CC(C)Cc1nc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cs1 727329991 KGGHUGZWSLWVCQ-UHFFFAOYSA-N 442.463 4.231 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc(CNC(=O)C2CCCC2)cc1 727801625 ZDHNJHDZUHKHKI-UHFFFAOYSA-N 429.904 4.327 5 20 IIBD COc1ccc(CC(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1[N+](=O)[O-] 727883911 RWHFSWWEIOQVRB-UHFFFAOYSA-N 446.765 4.000 5 20 IIBD CC(C)(C)OC(=O)N1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)c2ccccc2C1 728005765 YSZWAKLXVFBCQK-UHFFFAOYSA-N 443.525 4.471 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)O[C@H](c1ccccc1)c1cccnc1 728418541 ODGFHKAZZDYLQK-JOCHJYFZSA-N 433.420 4.011 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@H](C(=O)N[C@H]2CCCC[C@@H]2C)C(C)C)cc1SC 728649257 IBXZUYUNLRYYJH-RFUYNDQBSA-N 438.546 4.202 5 20 IIBD O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccc(Oc2cccnc2)cc1 729192016 DPBJFLYKMUZAST-UHFFFAOYSA-N 434.452 4.251 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])c(F)c1)N[C@@H](c1ccccc1)c1cccc(Cl)c1 731516812 JXJKMOHORIPOAI-NRFANRHFSA-N 442.830 4.450 5 20 IIBD O=C(Nc1ccc(N2CCCC2)c(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 731898875 USJRFGHCTQOLDB-UHFFFAOYSA-N 429.908 4.203 5 20 IIBD O=[N+]([O-])c1ccc(/C(O)=C(/C(=S)NC(C2CC2)C2CC2)[n+]2cccc(O)c2Cl)cc1 735667262 UMCSWNGOUSEBEF-UHFFFAOYSA-O 446.936 4.231 5 20 IIBD Cc1nc(-c2cccc(NC(=O)COC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)c2)cs1 740390520 FLZQUYFCCHLLCP-UHFFFAOYSA-N 439.493 4.486 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)CCNc1ncc(C(F)(F)F)cc1Cl 741449914 GHWHSVJAODCHJP-UHFFFAOYSA-N 433.770 4.216 5 20 IIBD Cc1sc(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])nc1-c1ccc2c(c1)CCC2 742806509 NSQPXQXHPLYDRM-UHFFFAOYSA-N 437.477 4.345 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C 744395301 QTJCEMGXOXQQDP-UXHICEINSA-N 446.548 4.096 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)[C@@H](O)c1c(F)cccc1Cl 748390974 ILZKKTMXINETIF-FJHFEUQMSA-N 431.247 4.046 5 20 IIBD C[C@]1(CNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCC[C@@H]1O 748584110 DERQYIBJMQOKPE-SIKLNZKXSA-N 445.903 4.172 5 20 IIBD C[C@H](OC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 748909912 SOZNZYUJQZDVSU-YMRXKLBXSA-N 433.258 4.031 5 20 IIBD Cc1cc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1NC(=O)c1ccco1 748986670 TVWWGJPISHMDOH-UHFFFAOYSA-N 449.467 4.103 5 20 IIBD CC(C)(C)OC(=O)NCCCOC1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 749104200 NINIHZUKVGVQKR-UHFFFAOYSA-N 430.505 4.043 5 20 IIBD O=C(Nc1ccccc1C(=O)Nc1ccc2nn[nH]c2c1)c1ccc([N+](=O)[O-])cc1Cl 750186705 FOJSNBNXSMQMEY-UHFFFAOYSA-N 436.815 4.024 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2nc(COc3ccccc3)cs2)cc1OC 750733864 VDOOBRTZJSNWER-UHFFFAOYSA-N 429.454 4.290 5 20 IIBD C[C@H](OC(=O)[C@@H](C)c1ccccc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 751973736 MJLFNJJEDIMQKF-KBPBESRZSA-N 425.466 4.392 5 20 IIBD O=C(OCc1ccc(OC2CCOCC2)nc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 752527774 PTAYDRFQBHVCGJ-UHFFFAOYSA-N 441.465 4.028 5 20 IIBD O=C(C[C@@H]1CSCCS1)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 752815993 ADXISHGZECPLKN-OAHLLOKOSA-N 430.511 4.218 5 20 IIBD COc1ccc(C2(CNC(=O)c3cc(F)cc([N+](=O)[O-])c3Br)CCC2)cc1 753229107 OIXXQTKKIILFAS-UHFFFAOYSA-N 437.265 4.357 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN(Cc1ccccc1)C[C@@H](O)c1cccs1 756054754 DFNBCSIXPOSKKX-LJQANCHMSA-N 425.510 4.139 5 20 IIBD CCOC(=O)c1cc(C(=O)N(Cc2ccc[nH]2)c2ccc(N(C)C)cc2)cc([N+](=O)[O-])c1 757985980 NLQVDTQEQPLASK-UHFFFAOYSA-N 436.468 4.013 5 20 IIBD CCn1c(S[C@H]2CCCN(Cc3ccccc3)C2=O)nnc1-c1ccc([N+](=O)[O-])cc1 760264517 VGMQBBCOKUJPBK-IBGZPJMESA-N 437.525 4.157 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ncoc1-c1ccc2c(c1)OCCO2 760525961 KLPOPLKGCUCNHX-UHFFFAOYSA-N 449.375 4.033 5 20 IIBD O=C(NC1CCC(O)(c2ccccc2)CC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 760698186 QFMBTSHHFFQYGY-UHFFFAOYSA-N 438.402 4.096 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H](c2noc(-c3cc(O)nc4ccc([N+](=O)[O-])cc34)n2)C1 761872937 RYDHKCIGJVWBEK-GFCCVEGCSA-N 441.444 4.013 5 20 IIBD Cc1nccn1-c1ccc(-c2noc(-c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)n2)cn1 761917296 FKGJVMILPBONRG-UHFFFAOYSA-N 445.483 4.437 5 20 IIBD Cc1sc(=O)n(Cc2nc(Cc3cccc([N+](=O)[O-])c3C)no2)c1-c1ccc(F)cc1 762321799 SAEUHHUOPXPVLW-UHFFFAOYSA-N 440.456 4.263 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@@H](c2nc(-c3cnc(Oc4ccccc4)cn3)no2)C1 762379665 YKNPXENDXGTBRQ-GOSISDBHSA-N 430.380 4.093 5 20 IIBD O=C(NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)ccc1Cl 762725125 AEUNPNRYNJLDLR-UHFFFAOYSA-N 444.896 4.218 5 20 IIBD O=C(Nc1nc2ccc(Br)cc2s1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 763487493 UDBRCJSRXCHABJ-UHFFFAOYSA-N 444.270 4.405 5 20 IIBD O=C(Nc1cc(F)c(F)cc1I)c1ccc([N+](=O)[O-])c(Cl)c1 764275884 PEHQVGPIKQAZMP-UHFFFAOYSA-N 438.555 4.383 5 20 IIBD CC(C)CNC(=O)C1CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 767865924 PHUFMWJAFREWJH-UHFFFAOYSA-N 441.553 4.370 5 20 IIBD O=C(CCCc1ccccc1)N1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 769232680 LEUTVMLARJFOJV-UHFFFAOYSA-N 446.345 4.024 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc(Cl)cc(Br)c1F 769514539 IHPBMQMNVQOJQD-UHFFFAOYSA-N 445.628 4.254 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)OCC(=O)Nc1ncc(C(F)(F)F)cc1Cl 769889696 QXFFIQJQZVEZFU-UHFFFAOYSA-N 445.781 4.383 5 20 IIBD CCOC(=O)N(C)c1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 770261552 JLAFXXKQYAPBBT-UHFFFAOYSA-N 428.264 4.264 5 20 IIBD CCc1c(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cnn1-c1ccccc1C 770561676 PFYXNSNSGWICKU-UHFFFAOYSA-N 442.859 4.100 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 770565761 DSSRGOZURVVKOV-INIZCTEOSA-N 438.259 4.153 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)OCc2ncc(Cl)s2)cc1[N+](=O)[O-] 771862905 UYHQIUCASXKJIK-UHFFFAOYSA-N 445.884 4.359 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCN1C(=O)OC(C)(C)C 772248200 RNZHBIUQYGPMDX-NEPJUHHUSA-N 444.435 4.106 5 20 IIBD Cc1nc2c(cnn2C(C)C)cc1C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1 773358367 AJAOJGDHWCVIAV-UHFFFAOYSA-N 433.262 4.348 5 20 IIBD Cc1sc(NC(=O)COC(=O)c2sc(Br)cc2[N+](=O)[O-])c(C)c1C 773603015 DYNBWXBHIQPQGQ-UHFFFAOYSA-N 433.305 4.201 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C 773794614 WAHHKZVMMAHHIM-OCCSQVGLSA-N 443.953 4.245 5 20 IIBD CC(C)([C@H](OC(=O)c1ccc(N2CCCC2)nc1)c1ccc(Br)cc1)[N+](=O)[O-] 774368482 ZYBWUMVTLQDDHE-GOSISDBHSA-N 448.317 4.398 5 20 IIBD CC(C)([C@@H](OC(=O)Cc1ccc2c(c1)COC2)c1ccc(Br)cc1)[N+](=O)[O-] 774373164 KQQPOBNNCNHCNQ-IBGZPJMESA-N 434.286 4.362 5 20 IIBD O=C(OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(C(F)(F)F)cc1Cl 775102821 CKJVXFCTMIYADT-UHFFFAOYSA-N 428.750 4.013 5 20 IIBD COCCN(C(=O)/C=C/c1scnc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 776738964 GDIWRXPECFTEJG-BQYQJAHWSA-N 430.511 4.176 5 20 IIBD CC[C@@H]1CN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC[C@H]1NC(=O)OC(C)(C)C 777957215 DQGGRIAAHSZLHZ-OXQOHEQNSA-N 429.521 4.041 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(NC(=O)Oc2ccccc2)CC1 779905224 JBXUXWZJWRCWSI-UHFFFAOYSA-N 443.525 4.490 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 781363002 OXRFDYIPEWRUKY-HNNXBMFYSA-N 446.529 4.238 5 20 IIBD COc1ccc(Br)cc1C(=O)CCC(=O)OCc1ccc([N+](=O)[O-])c(F)c1 781847223 OUMAKJBPUOUAIV-UHFFFAOYSA-N 440.221 4.211 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(OCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)n1 782055086 BSPMJFXYGFCCEO-QGZVFWFLSA-N 448.479 4.115 5 20 IIBD CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccc2c(c1)OCCO2 782116531 AMWIPQWMKZRLCY-SFHVURJKSA-N 435.274 4.256 5 20 IIBD CCN(Cc1ccccc1)C(=O)[C@@H](C)OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 783315195 GYDJHEVZTCHWKY-OAHLLOKOSA-N 439.493 4.312 5 20 IIBD CCO[C@@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)O[C@@H](C)c2ccccc2[N+](=O)[O-])C1(C)C 784847422 AFTHPHQCKNPEOS-WTBBCNCBSA-N 436.505 4.298 5 20 IIBD C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 790203103 QXJAUAYYEYDVKM-GFCCVEGCSA-N 448.273 4.147 5 20 IIBD CC(C)NC(=O)c1ccc(Cl)c(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c1 790845121 HWFXBXWTLGLMBK-UHFFFAOYSA-N 428.247 4.360 5 20 IIBD CCCc1[nH]nc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1[N+](=O)[O-] 796265849 PEFSYCHCSRGGJN-QMMMGPOBSA-N 448.785 4.127 5 20 IIBD CC[C@@](O)(C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(Cl)c1 800320273 VPGFJBYUZQOLPS-WYRIXSBYSA-N 441.267 4.070 5 20 IIBD C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 804846436 YCIDPVJNDYWACY-MCFFVMPBSA-N 449.551 4.445 5 20 IIBD CC[C@@H](c1cccc(OC)c1)N(C)C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 807542540 XDPZXTDITAOJQE-IBGZPJMESA-N 427.501 4.449 5 20 IIBD COc1cc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)cc([N+](=O)[O-])c1C 809428707 KWJCOTIWEUGFJC-UHFFFAOYSA-N 449.217 4.223 5 20 IIBD O=C(Cc1ccn(-c2ccc(F)cc2)n1)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811220368 IAWQCLWOMSZHGA-UHFFFAOYSA-N 438.440 4.329 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c(OC)c1 811374499 IPJFHUCKHNRUQJ-VIFPVBQESA-N 443.239 4.103 5 20 IIBD CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2cscc2C(F)(F)F)NC(=S)N1 811674657 YXJMRNBURNSUEP-AWEZNQCLSA-N 442.444 4.107 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)CC12CCC2 816852524 SXVCMOJLMXUDSI-OAHLLOKOSA-N 435.546 4.125 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CCCCCn1c(S)nc2ccccc2c1=O 843030632 HFFKVSQFJFPBAM-UHFFFAOYSA-N 440.525 4.409 5 20 IIBD COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C 884284651 PYATXSFJEZCPCN-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD O=[N+]([O-])c1cc2c(c(-c3nc(-c4ccc(Oc5ccc(F)cc5)nc4)no3)c1)OCCO2 904507543 ABBHXYAWISSHJL-UHFFFAOYSA-N 436.355 4.409 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cc(-c3cccnc3)on2)cc1)c1cccc([N+](=O)[O-])c1 915811359 QAWKKHMWGXVCRG-UHFFFAOYSA-N 430.376 4.116 5 20 IIBD C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 916536158 YCKKJIGZYKOJSJ-CYBMUJFWSA-N 434.876 4.495 5 20 IIBD O=C(COC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1ccc([N+](=O)[O-])cc1 917280818 JNQBZXMDXBTLCW-JOCHJYFZSA-N 431.400 4.089 5 20 IIBD CCC(C)(C)NC(=O)c1ccc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1Cl 917760459 BHKPYSYPYMMRIZ-UHFFFAOYSA-N 443.891 4.155 5 20 IIBD Cc1cc(C)n(-c2ccc(CC(=O)O[C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)n1 919182580 AGLAFZAPUOGZGR-INIZCTEOSA-N 447.451 4.294 5 20 IIBD Cc1c(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 919228030 WSLQLXWBSNRXFN-VIFPVBQESA-N 442.211 4.302 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1 919687116 VMTJUANWIBJHRJ-DIBVOSKASA-N 443.887 4.290 5 20 IIBD C[C@@H](c1cccc(C(F)(F)F)c1)N(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C1CC1 920306438 ZVDXTSFPODGCKW-LBPRGKRZSA-N 433.386 4.393 5 20 IIBD CCc1ccc(-c2noc(COC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 920777280 JGDSFFRBWPOWGH-GFCCVEGCSA-N 431.832 4.371 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(COCC3CC3)c2)cc1Br 920832136 BXTGTYAOLKUQCR-UHFFFAOYSA-N 441.303 4.085 5 20 IIBD O=[N+]([O-])c1ccc(CNc2ccccc2CN2CCC(CO)CC2)c(Br)c1 1255157067 PSHVRKPNGINCBT-UHFFFAOYSA-N 434.334 4.174 5 20 IIBD CN(C)S(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)nc2c1 1317899664 BHUHDILTXAYHCC-UHFFFAOYSA-N 446.872 4.302 5 20 IIBD CC[C@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCN(C(=O)OC(C)(C)C)C1 1319974097 MLJQOTBDKQGMJR-IBGZPJMESA-N 429.420 4.172 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(-c2nnc([C@H](C)Oc3cccc(Cl)c3)o2)cc1OC 1326377220 UEQRHOFZFOTGFC-LBPRGKRZSA-N 449.847 4.472 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(-c3ccc(Cn4nnc(-c5ccccc5)n4)cc3)o2)c(F)c1 1328196565 JWNCPFCCTQCTDN-UHFFFAOYSA-N 443.398 4.153 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[C@H](C)c1ccc(F)c(F)c1 1332102179 DVXKFIMYWRVCFK-CYBMUJFWSA-N 430.411 4.464 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])NC1(c2ccc(NC(=O)[C@H]3CCCCO3)cc2)CCC1 1785890848 YDSIARAKJCVNSP-UBLKFNIESA-N 449.507 4.311 5 20 IIBD Cn1cccc1C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])CCC2)cc1 1787266550 UYOPMHUZDLWKEE-NTEUORMPSA-N 444.491 4.394 5 20 IIBD Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)COC(C)C)CCC3)cc2)cc1[N+](=O)[O-] 1790524702 QYWBULUDSKCBTE-UHFFFAOYSA-N 439.512 4.005 5 20 IIBD Cc1ccc(/C=C/C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(F)c2[N+](=O)[O-])C3)s1 1802908138 WZOMFZQUUQOUMO-OUYFJKQZSA-N 443.500 4.069 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCC([C@H]2CCCCN2C(=O)C2CCCC2)CC1 1826257399 VZMWVDSJKYIHBA-JOCHJYFZSA-N 445.535 4.086 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)Cc1coc2c(C)c(C)ccc12 9784209 GILSGXMKOMRKCU-CQSZACIVSA-N 426.425 4.079 5 20 IIBD CCOc1ccc(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1 10593248 DHZURNFTUZZDTJ-UHFFFAOYSA-N 434.455 4.242 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)C1(c2ccc(F)cc2)CCCC1 10799059 XKMZBYLTIDXTHL-AWEZNQCLSA-N 430.432 4.125 5 20 IIBD Cc1ccc(C(=O)Oc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cc1[N+](=O)[O-] 15965536 IELZNRFGHWFOSY-UHFFFAOYSA-N 432.479 4.009 5 20 IIBD CCOc1ccc(C(=O)OCc2cc(OC)c(OC)cc2Br)cc1[N+](=O)[O-] 17204985 GBQWHYGJRPHLSV-UHFFFAOYSA-N 440.246 4.130 5 20 IIBD C[C@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N(C)Cc1c(F)cccc1Cl 22469864 RPCBIAIPWZSVRY-JTQLQIEISA-N 429.231 4.245 5 20 IIBD COc1cc(C(=O)Nc2cccc(OCc3ccccn3)c2)c([N+](=O)[O-])cc1OC(F)F 26249383 XNKAAJUBBALPGB-UHFFFAOYSA-N 445.378 4.431 5 20 IIBD COc1ccc(CNC(=O)COC(=O)c2c3ccccc3cc3ccccc23)cc1OC 28301455 OHHROGCFQTUPAQ-UHFFFAOYSA-N 429.472 4.483 5 20 IIBD Cc1c(NC(=O)[C@@H](C)NCC2(c3ccc(Cl)cc3)CCOCC2)cccc1[N+](=O)[O-] 62240523 QSBGTCADZBWNAU-MRXNPFEDSA-N 431.920 4.222 5 20 IIBD COc1cc(CNCc2nncn2-c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 237231448 SZMLWBKOVSOBSO-UHFFFAOYSA-N 445.479 4.053 5 20 IIBD Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N[C@H](C)c3ccccc3)c2)cc1[N+](=O)[O-] 301317113 YJCFVMJDFAGZJA-MRXNPFEDSA-N 439.493 4.195 5 20 IIBD CC[C@@H](C(=O)N1CCC(Nc2ncc([N+](=O)[O-])cc2Br)CC1)c1ccccc1 301564694 VHOUFURDQQHUQZ-QGZVFWFLSA-N 447.333 4.349 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(Sc2nnc(-c3ccco3)n2-c2ccccc2)s1 302142094 FSMLUZQWDBZBSA-UHFFFAOYSA-N 448.507 4.052 5 20 IIBD C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] 302546735 PDFIRLFXVHSAFJ-DIFFPNOSSA-N 446.859 4.211 5 20 IIBD Cc1cc(N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(Br)cc1[N+](=O)[O-] 302632497 CHGGPLNFLVLCAR-LBPRGKRZSA-N 427.320 4.267 5 20 IIBD O=C(Cc1cccs1)Nc1ccccc1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 303253438 BXFAFTRKEBWNJU-UHFFFAOYSA-N 435.465 4.500 5 20 IIBD Cc1csc(-c2cccc(S(=O)(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)c2)n1 409485433 OGWSONCKTIICDI-UHFFFAOYSA-N 429.523 4.380 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1cccc2[nH]ccc12 427747044 KCWYQUHSUKVILJ-UHFFFAOYSA-N 427.482 4.004 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@H](OCCCc2ccccc2)C1 430450758 BRNCWAIVNUTKIO-QFIPXVFZSA-N 440.543 4.405 5 20 IIBD Cc1cc(OCC(=O)Nc2ccc(C(=O)Nc3cccnc3)c(Cl)c2)ccc1[N+](=O)[O-] 430529939 JIAWWSHPBUPPOE-UHFFFAOYSA-N 440.843 4.221 5 20 IIBD O=C(c1c(Cl)cccc1Cl)N1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 434834873 WDXQECAYHNWPLL-UHFFFAOYSA-N 435.267 4.001 5 20 IIBD CCOC(=O)C[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccc(F)cc1 436310654 RWNXENYHEPWEQX-JOCHJYFZSA-N 432.451 4.245 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@@H]3C[C@H]3c3cc(F)c(F)c(F)c3)cc2)c(C)c1[N+](=O)[O-] 437366319 WAAFOLOBMKZVFZ-QFBILLFUSA-N 444.413 4.160 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](CC)[C@H](c1ccc(C)cc1)n1cncn1 439924525 FIQFVIWJHNLMDN-NQIIRXRSSA-N 438.488 4.083 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(Br)s2)cc1OC 440855072 MOKHASDUDLHMMA-VIFPVBQESA-N 429.292 4.317 5 20 IIBD CSc1ccccc1[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 443096950 WPWZPJXKPOIDCT-JTQLQIEISA-N 431.333 4.119 5 20 IIBD C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 444212361 KPRDMLHUQRMQPD-BDJLRTHQSA-N 431.297 4.052 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(CSc3ccc(C(F)(F)F)cn3)n2)c1 445576449 VNAAMRAGWTWHIE-UHFFFAOYSA-N 426.376 4.283 5 20 IIBD Cc1nn(Cc2ccccc2)c2sc(-c3nc(-c4c([N+](=O)[O-])nc(C)n4C)no3)cc12 445607601 LXSKVGFNLDVFKU-UHFFFAOYSA-N 435.469 4.122 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 446089195 HWGMSRXGJPBRAV-UHFFFAOYSA-N 433.302 4.144 5 20 IIBD CN(Cc1ccc(OC(F)F)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 446971159 JPRLYUDUDVAWMX-UHFFFAOYSA-N 440.346 4.036 5 20 IIBD COC(=O)[C@@H](CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])c1ccc(F)cc1 447689881 UQPRMMBBHWQEGN-NSHDSACASA-N 437.296 4.152 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 461454891 IPYBJBMRONKUMD-FUHWJXTLSA-N 433.430 4.208 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H]1CCOc2c(-c3ccccc3)cccc21 464050859 MBOXKIUTDJQWEQ-FQEVSTJZSA-N 445.475 4.457 5 20 IIBD COc1ccc2oc([C@H](C)NC(=O)C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)c(C)c2c1 464051876 WCUJEFDPXMLDMI-AWEZNQCLSA-N 425.441 4.091 5 20 IIBD CN([C@H](c1ccc(Cl)cc1)C(F)(F)F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F 464431991 XLERLRRMHIWMDP-CQSZACIVSA-N 426.775 4.311 5 20 IIBD O=C([C@@H]1C[C@H]1c1ccccc1OC(F)F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464644992 UPXGWRQVEDVRDR-RBUKOAKNSA-N 432.423 4.370 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1nc2cc(Cl)ccn2n1 464653121 MKKGDNBIGLQFCC-UHFFFAOYSA-N 431.783 4.041 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1cccc(COc2cccc(F)c2)c1 465029514 DBWJRNQKLRXTAA-UHFFFAOYSA-N 438.411 4.265 5 20 IIBD O=C(NCc1cc2cc(Br)ccc2[nH]1)c1ccc([N+](=O)[O-])c2cccnc12 466333728 VQRGFQSQPHGJMH-UHFFFAOYSA-N 425.242 4.317 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 466509868 KGXYYHJYTBFHBE-UHFFFAOYSA-N 437.905 4.199 5 20 IIBD C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 468674749 LOMBDDRTRFQKFB-ZDUSSCGKSA-N 428.491 4.081 5 20 IIBD CC[C@H](C)[C@@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 469466843 OOJOQFRAWGLDMO-YEJXKQKISA-N 443.887 4.419 5 20 IIBD O=C(c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)N1CCC[C@H](CCCc2ccccc2)C1 469690418 KVKYVNGTZGFDRK-IBGZPJMESA-N 449.507 4.123 5 20 IIBD CC[C@H](Nc1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1[N+](=O)[O-])C1CCOCC1 470869743 JUNKMQRRIOCASK-FQEVSTJZSA-N 447.557 4.427 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 472562507 MHEIETVBAGVXQE-LJQANCHMSA-N 427.819 4.232 5 20 IIBD Cc1nc(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)ccc1[N+](=O)[O-] 475310438 CHQWHRBZKPZIJZ-UHFFFAOYSA-N 433.287 4.365 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1cc(F)cc(NCC(F)(F)F)c1 475812342 NCHATRUAXOTIHU-UHFFFAOYSA-N 427.763 4.162 5 20 IIBD O=C(N[C@H]1CCN(c2ccccc2C(F)(F)F)C1)c1ccc([N+](=O)[O-])c2cccnc12 477233027 STPNKMFPSPUVCL-ZDUSSCGKSA-N 430.386 4.171 5 20 IIBD CC(=O)C[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 478225696 AQXQEJPZVWAMOD-MRXNPFEDSA-N 434.901 4.220 5 20 IIBD COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 478631478 IEQWJFCMMAOMAR-UHFFFAOYSA-N 436.420 4.221 5 20 IIBD COc1ccc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 480549285 HRZCCDBIEAZIEL-KPZWWZAWSA-N 438.267 4.068 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](c1ccccc1)c1nc2ccccc2n1C 481421612 FZACDQRCDRCIPH-HSZRJFAPSA-N 429.480 4.108 5 20 IIBD Cc1nc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c(Cl)cc1Cl 481965338 QLMGMJADQMSRIB-UHFFFAOYSA-N 441.090 4.168 5 20 IIBD CC(=O)c1ccc(NC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c([N+](=O)[O-])c1 484159063 DBXXDLYMYALLQY-FQEVSTJZSA-N 437.418 4.302 5 20 IIBD CN(Cc1ccccc1)[C@H](CNC(=O)c1sc(Br)cc1[N+](=O)[O-])C1CC1 485751038 JJIOTFNXQIXPFA-OAHLLOKOSA-N 438.347 4.059 5 20 IIBD CCNC(=O)Nc1ccc(C)c(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1 487698846 VBEYOHOFLPZAGZ-UHFFFAOYSA-N 435.278 4.368 5 20 IIBD CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 488676137 UYKQWUWNTWVEAW-QGZVFWFLSA-N 442.535 4.031 5 20 IIBD Cc1ccc(C(C)C)c(OCc2ccc(NC(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)cc2)c1 489508006 HETDNJXMIIHIPW-UHFFFAOYSA-N 435.480 4.406 5 20 IIBD CN(CCCn1ccnc1)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 491853754 LBKOQEPDVFINEH-UHFFFAOYSA-N 427.892 4.219 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccccc2COCc2ccccc2)cc1[N+](=O)[O-] 493937392 PSMSTDSBHFDNIE-SFHVURJKSA-N 447.491 4.436 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 494228408 VUZBLFSOQRFSIP-UHFFFAOYSA-N 447.417 4.416 5 20 IIBD CN(CCC1CCN(c2ccncc2)CC1)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 497356755 FKIRIEQNSDTTJH-UHFFFAOYSA-N 436.434 4.387 5 20 IIBD CC[C@H](C)Sc1ccc(NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)c(C)c1 498627363 PPRWCFOMYSVDGN-HNNXBMFYSA-N 430.530 4.232 5 20 IIBD COc1ccc(C[C@@H](NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccc(OC)cc2)cc1 499052720 BQNFLWSXBAONQE-XMMPIXPASA-N 449.507 4.433 5 20 IIBD CC[C@@H](CSc1ccccc1)NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 501689848 AKGLVFCHNLGFCE-HNNXBMFYSA-N 443.554 4.175 5 20 IIBD CN(C)[C@@H](CNc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])c1ccsc1 502113061 OKVUXROLNKIDLF-FQEVSTJZSA-N 446.554 4.172 5 20 IIBD O=C(Cn1cc(Cl)cc([N+](=O)[O-])c1=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 502140804 GQVCZLUONQCIRI-AWEZNQCLSA-N 430.675 4.080 5 20 IIBD Cc1c(CNC(=O)N[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cccc1[N+](=O)[O-] 503134664 KIIOAHGTBZCHFQ-FQEVSTJZSA-N 437.418 4.123 5 20 IIBD O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 505438293 AMEXRDBPBXOVDI-INIZCTEOSA-N 426.301 4.092 5 20 IIBD CCCOc1cc(NC(=O)N2CCc3ccc(O)cc3C2)c([N+](=O)[O-])cc1OCCC 505764890 GMGYAFVLTYNDJH-UHFFFAOYSA-N 429.473 4.468 5 20 IIBD CC(C)Oc1ccc(CNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])cn1 510125883 VVCBMBJZCBZGLP-UHFFFAOYSA-N 442.497 4.190 5 20 IIBD O=C(CCCc1ccccc1)N[C@@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 510613395 GBRSULDWSWNEHY-OAQYLSRUSA-N 448.523 4.353 5 20 IIBD Cc1nc2ccccc2n1CCNC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 512593123 SGICOMPBQRWKRF-IRXDYDNUSA-N 435.528 4.165 5 20 IIBD CC(C)Oc1ccc(NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c(C(F)(F)F)c1 513410908 NUKPIFQTGMKLDH-UHFFFAOYSA-N 446.403 4.057 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1nc2cc(F)ccc2o1 514831436 NQPNQBWRBJSDFZ-UHFFFAOYSA-N 426.326 4.012 5 20 IIBD O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCCN1C(=O)Cc1ccccc1[N+](=O)[O-] 516503882 KRJYAHPGEMQTNA-GOSISDBHSA-N 436.295 4.464 5 20 IIBD CCNc1ccc(C(=O)Nc2cccc(NC(=O)CCN3CCCCC3)c2)cc1[N+](=O)[O-] 519507441 YJBXVBVLENCKAP-UHFFFAOYSA-N 439.516 4.093 5 20 IIBD CCC(CC)(CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H](C)c1ccccc1 523119306 WZDIIBIUXULPRJ-OAHLLOKOSA-N 446.935 4.213 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)c1 525073029 FQJSYFHNSCBJDT-UHFFFAOYSA-N 445.273 4.057 5 20 IIBD CC(C)c1ccc([C@H]2CCCN2C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 535496459 BVIDGOXWGYFISI-GOSISDBHSA-N 427.526 4.273 5 20 IIBD COc1ccc(-c2nnc(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)s2)cc1 535686041 NKRJIWNRZCWZLO-UHFFFAOYSA-N 439.478 4.498 5 20 IIBD C[C@H]1CN(CCOc2ccc(CCNC(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2)C[C@@H]1C 537140489 INMVKRPCSGMERW-IRXDYDNUSA-N 445.947 4.187 5 20 IIBD C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 537945103 APJSQYLLJFZVOV-RQVMVGKASA-N 448.926 4.387 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCN1C(=O)COc2ccccc21 538574785 UWNFGJLDGDMRJD-UHFFFAOYSA-N 443.525 4.033 5 20 IIBD COc1cc(CNc2cc(NC(C)=O)ccc2C)c([N+](=O)[O-])cc1OCC(F)(F)F 538824888 WMIFIZSDPQMYRG-UHFFFAOYSA-N 427.379 4.423 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 539642139 NQRRRCXRPQJEFD-IAGOWNOFSA-N 435.402 4.313 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnn(S(=O)(=O)c3ccc(Br)c(Cl)c3)c2)c1 539768244 OWVGPZGWUSHKET-UHFFFAOYSA-N 442.678 4.111 5 20 IIBD Cc1ccc([C@@H](C)NCC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1[N+](=O)[O-] 540476408 NJFRASDTAADSKC-MZNJEOGPSA-N 441.528 4.229 5 20 IIBD CCOc1cccc([C@@H]2C[C@@H]2NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c1 540537607 FDDAULJGLUQPFX-VXKWHMMOSA-N 434.496 4.141 5 20 IIBD CN(C(=O)COc1ccc([N+](=O)[O-])c2cccnc12)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 542681970 DDQKAVSPSOHFGE-LAUBAEHRSA-N 439.443 4.040 5 20 IIBD COc1cc(C(=O)Nc2cc(F)ccc2C(C)=O)c([N+](=O)[O-])cc1OCc1cscn1 543271339 YOXZMTRVOQYCFK-UHFFFAOYSA-N 445.428 4.233 5 20 IIBD COc1ccc(C2(c3nc(Cc4ccc([N+](=O)[O-])c(OC)c4)no3)CCC2)cc1OC 547172310 MAOJGCPGRBFYHI-UHFFFAOYSA-N 425.441 4.064 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c1 549036290 PTKRGCNOLLFZRB-HNNXBMFYSA-N 440.431 4.202 5 20 IIBD CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c1 549177530 VKEVMJMRSPJSJO-UHFFFAOYSA-N 432.908 4.435 5 20 IIBD Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 550663495 LXJXTTLTOPLAHK-UHFFFAOYSA-N 446.301 4.462 5 20 IIBD CC(=O)N(c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@H]1C[C@@H]1C 554660767 OLNOMQNTDJDCIR-LXIYXOSZSA-N 431.876 4.416 5 20 IIBD Cc1c(CNC(=O)N2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)cccc1[N+](=O)[O-] 554695816 GVYGFXNPAZYDPR-SFHVURJKSA-N 439.390 4.085 5 20 IIBD Cn1nccc1[C@@H]1CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2Cc2ccccc2)C1 555177380 FUEGQJAYKQSOOK-HXUWFJFHSA-N 443.511 4.019 5 20 IIBD C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 556538617 HBRAEWXRLQCVCK-XIKOKIGWSA-N 446.301 4.126 5 20 IIBD COc1cc(Br)c(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1OC 558331272 RETRGGNPBJTHHY-UHFFFAOYSA-N 438.278 4.081 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](NCc1ccccc1)c1ccco1 561083678 GIWBLCMCCHTAFE-OXQOHEQNSA-N 425.510 4.316 5 20 IIBD O=[N+]([O-])c1cc2c(O)ncnc2cc1N1CC[C@H](Cc2ccc(Br)cc2)C1 562403737 NMMNMHGNPCYLIO-CYBMUJFWSA-N 429.274 4.075 5 20 IIBD Cc1ccc(NC(=O)N(CC(=O)O)[C@@H](C)c2cccc(Br)c2)cc1[N+](=O)[O-] 577930898 XGYAOOVEJZGWOX-LBPRGKRZSA-N 436.262 4.345 5 20 IIBD COc1cc(Cc2noc(-c3cccc(Br)c3F)n2)c([N+](=O)[O-])c(OC)c1 583051098 ZPQUVURGURXOOH-UHFFFAOYSA-N 438.209 4.154 5 20 IIBD O=C(Nc1nccn1Cc1ccccc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 584202579 ZEUXBHAVLMIZMQ-UHFFFAOYSA-N 430.414 4.457 5 20 IIBD O=C(Nc1ccc2c(c1)OCO2)C1CCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 589106260 QCBAXXDPROYXBV-UHFFFAOYSA-N 437.374 4.197 5 20 IIBD O=C(NC1(c2noc(-c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)n2)CCCC1)c1ccccc1 589153831 KLVYBHQATITQKD-UHFFFAOYSA-N 444.451 4.030 5 20 IIBD Cc1ccc(C)c(OCc2nnc(S[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)o2)c1 594640996 QZPKGKSPGCGCDJ-AWEZNQCLSA-N 428.470 4.293 5 20 IIBD Cc1ccc(-n2c(SCCn3c([N+](=O)[O-])cnc3C)nc3ccccc3c2=O)c(C)c1 601915607 AISULHRFJCNQSS-UHFFFAOYSA-N 435.509 4.208 5 20 IIBD Cc1cc(F)ccc1N(Cc1ccco1)C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C 603569512 LHANRXUWZOHNGM-UHFFFAOYSA-N 435.415 4.371 5 20 IIBD C[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(OCc2cccnc2)cc1 603854788 UVLXFVOKWIFDJY-OAHLLOKOSA-N 427.482 4.145 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(CCCc2ccccc2)c1 608865805 WFDLASXCEGAKBP-UHFFFAOYSA-N 431.492 4.068 5 20 IIBD CNc1ccc(C(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)cc1[N+](=O)[O-] 609143487 SAFFXMMDVHMMBO-UHFFFAOYSA-N 441.491 4.478 5 20 IIBD CC[C@H](C)[C@H](NCc1ccc(OC)c([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 609288340 ZOIOZSAJXRDNJF-SBUREZEXSA-N 440.544 4.347 5 20 IIBD O=C(CNCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)NCCc1ccccc1 609544512 YSQOTPIVKBZWEO-UHFFFAOYSA-N 439.899 4.489 5 20 IIBD O=C(Nc1nccn1Cc1ccccc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 609664912 MTLRQJCYXWMOGI-UHFFFAOYSA-N 425.876 4.346 5 20 IIBD COc1cc(CCNC(=O)Nc2cccc(Cl)c2OC(C)C)c([N+](=O)[O-])cc1OC 609827501 XZDOOKMUZVIYBO-UHFFFAOYSA-N 437.880 4.417 5 20 IIBD CCOC(=O)c1cnn(-c2cccc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)c2)c1C 609855649 PULAIFRXPCBRRZ-UHFFFAOYSA-N 428.832 4.171 5 20 IIBD COc1cc(C(=O)N(C)CCCCN(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 610473661 WCJHRZFJAACAND-UHFFFAOYSA-N 435.908 4.463 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(cnn2C(C)C)c1 611193484 KXANHZDHNAGCRS-UHFFFAOYSA-N 442.497 4.433 5 20 IIBD COc1cc(CN(C)CCCc2cc(-c3ccc(F)cc3)no2)c([N+](=O)[O-])cc1OC 611268240 SWSOCUMRFQQTDQ-UHFFFAOYSA-N 429.448 4.471 5 20 IIBD COc1ccc([C@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c2ccccc2)cc1 725817475 GTRUQODDIZCLNA-HXUWFJFHSA-N 432.885 4.325 5 20 IIBD COc1cc(-n2cccc2)c(Cl)cc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 725944310 AKJFRZCSFYKDLX-ZDUSSCGKSA-N 443.843 4.232 5 20 IIBD COc1cc(C(=O)Nc2ccc3c(c2)CCN3C(=O)OC(C)(C)C)c([N+](=O)[O-])cc1OC 726511415 UBFKKEPXQOADCX-UHFFFAOYSA-N 443.456 4.162 5 20 IIBD O=C(COc1ccc(-c2noc([C@H]3CCCO3)n2)cc1)Nc1cc([N+](=O)[O-])ccc1Cl 728788578 QHLRAXRAASYTHT-QGZVFWFLSA-N 444.831 4.167 5 20 IIBD O=C(c1ccc(I)c([N+](=O)[O-])c1)N(Cc1ccco1)c1ccccn1 730477959 LCQZRYDHIIMHOM-UHFFFAOYSA-N 449.204 4.034 5 20 IIBD O=C(Nc1ccc2scnc2c1)c1ccc(I)c([N+](=O)[O-])c1 730490299 LNUUQXGHWRDPPR-UHFFFAOYSA-N 425.207 4.061 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2ccc3nccn3c2)c2ccccc2)c([N+](=O)[O-])c1 731907956 OBFBGYQXXIGVFJ-OAQYLSRUSA-N 430.420 4.088 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)NS(=O)(=O)c2ccc(-c3ccccc3)cc2)c1 732615555 JDPSQVODEXENMG-UHFFFAOYSA-N 428.491 4.102 5 20 IIBD COc1ccc(CCN(Cn2cc(Br)c([N+](=O)[O-])n2)CC(C)(C)C)cc1 734475555 BPNIAIWWLRBKAS-UHFFFAOYSA-N 425.327 4.111 5 20 IIBD Cc1nnnn1/C(=C/c1ccccc1)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 735251847 SCTCZWUWHQBQII-HYARGMPZSA-N 442.435 4.319 5 20 IIBD C[C@@H](Sc1ccccc1Cl)C(=O)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 735345957 XULLPKQMVKYCPF-GFCCVEGCSA-N 436.873 4.270 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)[C@@H](C)N2CCCCCC2)c2ccccc2)c([N+](=O)[O-])c1 741028934 JQBVSUQXAVWBDT-GCJKJVERSA-N 439.512 4.391 5 20 IIBD COc1ccc([C@@H]2[C@@H](COC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)CCN2C)cc1 741120130 AOYRLCLLNRJZSG-AUSIDOKSSA-N 439.512 4.053 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@@H]3C[C@]34CCc3ccccc34)CC2)ccc1[N+](=O)[O-] 744204547 PMGJJMRECMHUIA-OFVILXPXSA-N 436.508 4.410 5 20 IIBD CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 744365933 SVRURQPOGKJTKY-CYBMUJFWSA-N 433.427 4.283 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)Nc2cc(C)ccc2C)c([N+](=O)[O-])cc1OC(F)F 744532880 DAFKPYGZKJBDNP-GFCCVEGCSA-N 438.383 4.006 5 20 IIBD C[C@H](OC(=O)c1ccccc1NC(=O)c1ccsc1)C(=O)Nc1ccccc1[N+](=O)[O-] 744616015 FCOXAJPJQLLSIU-ZDUSSCGKSA-N 439.449 4.093 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)cc1SC 746266233 YSLWOKSSIVOZLL-YJBOKZPZSA-N 434.489 4.193 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 746269924 BQYNIJWFKWBSAP-CRAIPNDOSA-N 437.265 4.225 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(SC(F)F)c2)c(Br)c1 746590606 BKWARFDDMKBXMH-UHFFFAOYSA-N 439.259 4.473 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)c(Br)c1 746665211 PKOKYAYPGBWOPQ-HNNXBMFYSA-N 447.257 4.161 5 20 IIBD COC(=O)c1cc(Br)ccc1OC(=O)c1ccc(SC)c([N+](=O)[O-])c1 747385693 XXHQOWFMDASSTJ-UHFFFAOYSA-N 426.244 4.085 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1ccc(NC(=O)N2CCCCCC2)cc1 748287432 BIMJTJVQGWZDEP-UHFFFAOYSA-N 430.436 4.159 5 20 IIBD O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 749919305 GNYGWTSWKNWDGW-UHFFFAOYSA-N 442.686 4.153 5 20 IIBD COc1ccc(OC2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Br)CC2)cc1 751097442 YFLKZNXBPUDCNY-UHFFFAOYSA-N 435.274 4.050 5 20 IIBD Cc1noc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)n1 751115102 BZXMWCJWZIQFKG-INIZCTEOSA-N 449.511 4.236 5 20 IIBD CN(C)C(=O)Sc1cccc(COC(=O)c2ccc([N+](=O)[O-])cc2Br)c1 752555816 SNIDRQIQFUWXRW-UHFFFAOYSA-N 439.287 4.488 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1Br 754062463 USPCPYHCGBXKBH-QWHCGFSZSA-N 443.342 4.190 5 20 IIBD C[C@H](C(=O)N1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1F 754373197 FOCNMCHSJWYZHZ-YWZLYKJASA-N 449.523 4.476 5 20 IIBD O=C(N[C@H]1CCCN(c2cccc(F)c2)C1)c1cc(F)cc([N+](=O)[O-])c1Br 754635034 FSHOSYSNWYAATG-ZDUSSCGKSA-N 440.244 4.034 5 20 IIBD CCOc1cc(COC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)ccc1[N+](=O)[O-] 755531147 PMIBNMYUFXJHKM-KRWDZBQOSA-N 436.873 4.193 5 20 IIBD CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760472671 VHTZTOFZAYQEEC-OAQYLSRUSA-N 433.420 4.257 5 20 IIBD C[C@H](C(=O)OCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cccc(C(=O)c2ccccc2)c1 761489242 IRSISZBYKJSOSB-KRWDZBQOSA-N 446.459 4.136 5 20 IIBD COc1cc(C(=O)Nc2ccsc2C(N)=O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 761740706 PGBAFHLHGYAKHE-UHFFFAOYSA-N 447.856 4.462 5 20 IIBD CC(C)[C@H](NC(=O)OC(C)(C)C)c1noc([C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 762023550 GWWCCXDICHWVOU-HOTGVXAUSA-N 431.449 4.065 5 20 IIBD CN1CCC(N(C)[C@H]2CCCC[C@H]2N(C)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 762237180 IRECNJSWMFJPPE-RBUKOAKNSA-N 437.972 4.049 5 20 IIBD C[C@@H](OC(=O)c1c[nH]c2ccc(F)cc12)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 764174182 VMDMQXMPZQOPFO-SECBINFHSA-N 439.321 4.418 5 20 IIBD C[C@@H](OC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1)c1ccccc1[N+](=O)[O-] 764595592 FZMFGBHPCSUPLM-NPQOUYBPSA-N 431.408 4.144 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 765110269 IDSLNEIMMUPOSC-FDDCHVKYSA-N 433.549 4.317 5 20 IIBD C[C@@H](C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Br)cc1 766997503 PYYFXWCSLSSDJV-SNVBAGLBSA-N 441.665 4.296 5 20 IIBD Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 773908604 QUEQWOHVKGBYLB-UHFFFAOYSA-N 445.884 4.123 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCC1(c2ccccc2)CCOCC1 774374999 OMDILYIZZLQXMI-UHFFFAOYSA-N 427.500 4.446 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCc2ncc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2C1 777236420 PDYRVBQJBCVZAR-ZDUSSCGKSA-N 446.891 4.278 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 781718562 JTIUUVBKZNJDIE-UHFFFAOYSA-N 435.295 4.116 5 20 IIBD Cc1c(C(=O)OCc2cc(F)ccc2[N+](=O)[O-])nnn1Cc1ccc(C(F)(F)F)cc1 782933702 DLQDUOHEAZLJFX-UHFFFAOYSA-N 438.337 4.058 5 20 IIBD CSc1cccc(NC(=O)COC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 783357313 QDKFGWYARQZNGD-UHFFFAOYSA-N 443.525 4.349 5 20 IIBD C[C@@H](OC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1nnc(-c2cccc(Cl)c2)o1 783708027 MGDBYDSQJVYHPJ-SNVBAGLBSA-N 440.799 4.470 5 20 IIBD C[C@@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccc(N2CCCCC2)cc1 785951036 VYKHBINWOJJMKL-OAHLLOKOSA-N 445.903 4.351 5 20 IIBD Cc1cnc(COC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)c(C)c1[N+](=O)[O-] 789446434 QZKHWXRTQDDJPT-UHFFFAOYSA-N 433.468 4.095 5 20 IIBD C[C@@H](NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)c1cccc([N+](=O)[O-])c1 790689731 KDPNHGRSGGDOOL-LLVKDONJSA-N 449.261 4.094 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@@H](O)c1ccc(-c2ccccc2)cc1 790937862 HSMMKRJHTBBXSU-OAQYLSRUSA-N 428.847 4.447 5 20 IIBD O=[N+]([O-])c1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Br)ccc1F 799119562 CSXZMZVISDDWHK-UHFFFAOYSA-N 443.172 4.316 5 20 IIBD Cc1sc(Br)c(C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1C 799540802 PCFBNBHPRPDIPS-UHFFFAOYSA-N 438.259 4.443 5 20 IIBD O=C(N[C@]1(Cc2ccc(Cl)cc2)CCOC1)c1cccc([N+](=O)[O-])c1Br 800344351 FJXATPDLECDXLY-SFHVURJKSA-N 439.693 4.142 5 20 IIBD CCc1[nH]nc(C(=O)N[C@@H](c2c[nH]c3ccccc23)C(Cl)(Cl)Cl)c1[N+](=O)[O-] 804579750 MWEKPMZPKVFSOF-AWEZNQCLSA-N 430.679 4.203 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(Cc1ccc(F)cc1Cl)CC1CC1 807297989 PCMSGZDLIQKBLW-UHFFFAOYSA-N 437.830 4.212 5 20 IIBD C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C[C@H](c2ccsc2)O1 809826015 RVDVKEHUPAKLCL-YMTOWFKASA-N 437.326 4.114 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 810318148 QSLTZTJUUQZBRN-SFHVURJKSA-N 444.444 4.270 5 20 IIBD CCC1CCC(N(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C2CC2)CC1 810392883 GWJDCWUALYENNC-UHFFFAOYSA-N 438.322 4.256 5 20 IIBD O=C(Cc1cccc(OCc2cccnc2)c1)O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 810628298 CSVYJSVMFPPERC-SFTDATJTSA-N 436.468 4.035 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H](c1ccccc1)[C@@H](O)c1ccccc1 813716026 SLEUBVHFUIOFJY-MOPGFXCFSA-N 432.885 4.001 5 20 IIBD COc1cc(C(=O)N[C@]2(C)CC(C)(C)OC2=O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 820560627 PICAVYBZMBHGLN-OAQYLSRUSA-N 448.859 4.263 5 20 IIBD CN1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c(C(F)(F)F)c2)CC1 916089079 GLNDJSZABAGLSB-UHFFFAOYSA-N 442.825 4.271 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2F)C[C@@H](C)O1 916413333 ROKFEFISMAMBCA-IYBDPMFKSA-N 442.491 4.200 5 20 IIBD Cn1c(SCc2csc([N+](=O)[O-])c2)nnc1SCc1csc([N+](=O)[O-])c1 917428881 ZKQTWBYAOGBYTD-UHFFFAOYSA-N 429.530 4.339 5 20 IIBD O=C(Cc1cc2ccccc2nc1O)OCCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 920147604 SDEKWYKPBBXXKY-UHFFFAOYSA-N 436.342 4.032 5 20 IIBD CC(C)(C)OC(=O)N1Cc2ccc(CNC(=O)N3Cc4ccc([N+](=O)[O-])cc4C3)cc2C1 1320637557 ZJQIXWXFMJZFMS-UHFFFAOYSA-N 438.484 4.071 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1nnc(-c2ccc3c(c2)OCCO3)o1 1326196920 JPBWGUNITHBESI-UHFFFAOYSA-N 436.346 4.089 5 20 IIBD O=C1COc2ccc([N+](=O)[O-])cc2N1Cc1nnc(-c2cc3c(s2)CCCCCC3)o1 1341570908 MVELHAKWUXUSKW-UHFFFAOYSA-N 440.481 4.291 5 20 IIBD C[C@H]1C[C@@]1(C)C(=O)Nc1ccc(C2(NC(=O)Cc3cc([N+](=O)[O-])ccc3F)CCC2)cc1 1790420347 JKGHYYXTOVKEPC-NPMXOYFQSA-N 439.487 4.457 5 20 IIBD COc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@H]4C4CC4)CCC3)cc2)ccc1[N+](=O)[O-] 1792163947 NOOLEOMTICYSLN-PMACEKPBSA-N 449.507 4.397 5 20 IIBD Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1F 1804343868 KZGVJLBPAVONTJ-FCJRBGQTSA-N 437.471 4.008 5 20 IIBD CC(C)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 1831294387 OHHDTCXWGDVJIQ-JOCHJYFZSA-N 447.551 4.332 5 20 IIBD CC/C=C(\C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1832519584 LINUGOFUGYQFJP-QDGSLSSCSA-N 431.508 4.324 5 20 IIBD CC1(C(=O)N2CC3(CCCN3C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C2)CCCC1 1845738282 RLYJQERRWJJKAG-UHFFFAOYSA-N 427.526 4.207 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)c([N+](=O)[O-])cc1OC 3498232 LQRFSXOTJRGCAY-VIFPVBQESA-N 443.239 4.103 5 20 IIBD CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1Cl 14791306 HXLHADOPQXKAFS-UHFFFAOYSA-N 446.312 4.184 5 20 IIBD O=C(NCc1ccccc1)C(=Cc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NCc1ccccc1 16409312 LZWRXOLTTQHOLD-UHFFFAOYSA-N 449.894 4.264 5 20 IIBD CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)Oc3cc(F)ccc3[N+](=O)[O-])cc2)cc1 16727227 AVOPWDCNPIOGAV-UHFFFAOYSA-N 430.413 4.127 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 19285073 FVPMTYZKVIVPEA-CYBMUJFWSA-N 428.441 4.016 5 20 IIBD O=C(c1cc(Cl)c(Cl)[nH]1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 23690500 FOWBUZWYYBCOOX-UHFFFAOYSA-N 437.205 4.211 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(Cc3csc(Cc4ccc(Cl)cc4)n3)CC2)cn1 29820701 JHWWPJDECFGSRN-UHFFFAOYSA-N 429.933 4.013 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2C(=O)N(C)c2ccccc2)c1 63446239 ZJXOMRJHIDNRQV-UHFFFAOYSA-N 439.493 4.289 5 20 IIBD Cc1cc(NC(=O)CCCc2nc(-c3cccs3)no2)n(-c2ccc([N+](=O)[O-])cc2)n1 106284654 ZZWZGSAVKTZMIB-UHFFFAOYSA-N 438.469 4.162 5 20 IIBD CCN(c1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1)C(C)C 110312591 NIQHWCQRDNLKNK-QFIPXVFZSA-N 438.528 4.381 5 20 IIBD CCOc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] 115926728 SZMKYNXKASBXSY-UHFFFAOYSA-N 439.434 4.216 5 20 IIBD Cc1cc(C(=O)NCC2(c3cccc(Br)c3)CCOCC2)cc([N+](=O)[O-])c1 195692620 HQCCSPNYBRZMIH-UHFFFAOYSA-N 433.302 4.144 5 20 IIBD CS(=O)(=O)c1ccc(CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 237452360 VBBMVPZAYGJNRO-UHFFFAOYSA-N 430.457 4.220 5 20 IIBD COc1cc(N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)c(F)cc1[N+](=O)[O-] 301978960 XELQJUGHPVHMHW-UHFFFAOYSA-N 428.247 4.012 5 20 IIBD C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 302398760 JLUTZFLBHSOJGI-ZDUSSCGKSA-N 443.447 4.351 5 20 IIBD CN(Cc1cccc(Cl)c1Cl)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303550253 ZUSRRWNOSYNAQV-ZDUSSCGKSA-N 442.324 4.226 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CCOC[C@@H]2c2nc3ccccc3s2)c1Br 409670819 IIJKZLMKNNAJKS-CYBMUJFWSA-N 435.303 4.248 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 426218403 DRCXIGXHDNBRNA-FUHWJXTLSA-N 441.381 4.472 5 20 IIBD CCc1ccccc1NC(=O)CN(C)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 435817637 JOUSOEYCWDFHRW-UHFFFAOYSA-N 449.457 4.233 5 20 IIBD COc1ccccc1CCNC(=O)CN[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 436284489 BDEVTTRMGVACFK-INIZCTEOSA-N 439.537 4.341 5 20 IIBD Cc1ccc(NC(=O)N2CCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])CC2)cc1Cl 436400935 RDZDFTHOUPHEHU-UHFFFAOYSA-N 443.813 4.325 5 20 IIBD Cc1ccc(NC(=O)C2CC2)cc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 438817688 ZSHUVXGAIYTFPH-UHFFFAOYSA-N 444.296 4.359 5 20 IIBD COc1cc(CN[C@H]2CCOc3c(F)cccc32)c([N+](=O)[O-])cc1OCC(F)(F)F 443000852 OLAKMPJFSIUJHW-AWEZNQCLSA-N 430.354 4.297 5 20 IIBD CCOc1ccc(NC(=O)CN2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c([N+](=O)[O-])c1 443637768 HANXAZDKRKEDQY-AWEZNQCLSA-N 442.447 4.092 5 20 IIBD COC(=O)COc1ccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1Cl 444254381 XCPWJRFJJJDDNG-UHFFFAOYSA-N 436.851 4.139 5 20 IIBD CC(C)(C)Cc1nc(-c2cccc(C(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)c2)no1 444636924 OPPIBIBPIJAIGR-UHFFFAOYSA-N 434.456 4.040 5 20 IIBD COc1cccc(CC(=O)N2CCc3ccc(NC(=O)c4c(C)cccc4[N+](=O)[O-])cc32)c1 446089076 FDSRYHSAVBWZQL-UHFFFAOYSA-N 445.475 4.296 5 20 IIBD O=C(NC1(c2cccc(C(F)(F)F)c2)CCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 460530399 ZTTQTFPWSRQETE-UHFFFAOYSA-N 431.374 4.004 5 20 IIBD O=C(CCc1cc(Cl)ccc1Br)N1CCOc2ccc([N+](=O)[O-])cc2C1 461395589 GSCDYZAZGLHJEG-UHFFFAOYSA-N 439.693 4.365 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nnc(Cc2cccc(OC)c2)s1 462492370 VRTRHBJFFCHWTM-MRXNPFEDSA-N 426.498 4.253 5 20 IIBD CS(=O)(=O)C[C@@H](NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccccc1 463058709 VMHIOMWELYVQQF-HXUWFJFHSA-N 444.484 4.402 5 20 IIBD COc1ccc(C[C@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])c2ccccc2)cc1OC 463566033 OCPRTYUJZAHUCH-FQEVSTJZSA-N 449.507 4.148 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCCCC[C@@H]1c1noc(-c2cnn(C)c2)n1 463958529 PEOZLIGZQSGYMB-QGZVFWFLSA-N 439.476 4.144 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ccccc1-c1nc2ccccc2[nH]1 465127345 HSZWZFOTQVMBLW-UHFFFAOYSA-N 430.420 4.091 5 20 IIBD Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl 466332427 FSTPNSYSXCSUDO-UWJYYQICSA-N 440.887 4.136 5 20 IIBD O=C1CC2(CCN(C(=O)c3cccc(Sc4ccc(Cl)cc4)c3[N+](=O)[O-])CC2)CN1 466523409 WUJWQGOLIQRRLG-UHFFFAOYSA-N 445.928 4.142 5 20 IIBD Cc1c(-c2nc(-c3ccc(N4CCCCC4)cc3)no2)nnn1-c1cccc([N+](=O)[O-])c1 467254415 RJMRHSPLZALZRH-UHFFFAOYSA-N 431.456 4.191 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)C1CCN(c2cccnn2)CC1 468244813 DQIIVSQFBNBGRQ-UHFFFAOYSA-N 449.536 4.277 5 20 IIBD C[C@@H]1CN(c2cccc3cnccc23)CCN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 470424676 HGTYLKWFSRJCBB-CQSZACIVSA-N 442.422 4.095 5 20 IIBD COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 470500741 OPSAADBAIMZGAZ-HNNXBMFYSA-N 448.907 4.016 5 20 IIBD COc1ccc2c(c1)CN(C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@H](c1ccccc1)C2 472718722 XDBBNMFJSCPHJD-QFIPXVFZSA-N 449.438 4.007 5 20 IIBD Cc1cc(NC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)ccc1[N+](=O)[O-] 473774078 QSEDOBFPBHXLJU-UHFFFAOYSA-N 432.864 4.145 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O 475562970 ARNSZWOLFMUKKO-CQSZACIVSA-N 436.390 4.157 5 20 IIBD CCOc1cc(N2CCN(Cc3coc(-c4ccc(F)c(F)c4)n3)CC2)ccc1[N+](=O)[O-] 481763416 VOGLOKSDTSEFJP-UHFFFAOYSA-N 444.438 4.249 5 20 IIBD C[C@@H](Sc1ccc(Br)cc1[N+](=O)[O-])C(=O)N1CCc2sccc2C1 485303622 YAUGFGFWDDJVJU-SNVBAGLBSA-N 427.345 4.484 5 20 IIBD COc1cc(C(=O)N(c2cccc(SC)c2)C2CCN(C)CC2)cc([N+](=O)[O-])c1C 485522100 SGTTXNKMSWTVTI-UHFFFAOYSA-N 429.542 4.375 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)Nc1nc2ccc(I)cc2s1 485749870 HDWWQQXDTLWUJK-UHFFFAOYSA-N 439.234 4.370 5 20 IIBD CSc1cccc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c1[N+](=O)[O-] 485752362 NCLIPYOEFBNYDR-UHFFFAOYSA-N 430.511 4.015 5 20 IIBD COCC(C)(C)N(Cc1ccccc1)C(=O)c1sc(Br)cc1[N+](=O)[O-] 485760463 RKCDLCMPZWERRE-UHFFFAOYSA-N 427.320 4.486 5 20 IIBD O=C([C@@H]1COc2ccc(Cl)cc2C1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 486070582 PIUQRUJXZILGOL-AWEZNQCLSA-N 428.794 4.390 5 20 IIBD CCn1c(SCC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)nnc1-c1cccc(C)c1 488099677 XSAZIJKNJOZFQW-INIZCTEOSA-N 439.541 4.460 5 20 IIBD O=C(NCc1nc(-c2cccc(F)c2)no1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 488600034 WFFRSYTVPLBLSA-UHFFFAOYSA-N 425.298 4.124 5 20 IIBD Cc1ccc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c(-c2nc(C3CC3)no2)c1 489873222 QWTMLRSRSVIZEF-UHFFFAOYSA-N 430.424 4.269 5 20 IIBD Cc1c(C(=O)Nc2ccc(OCc3ccccc3F)cc2)nnn1-c1cccc([N+](=O)[O-])c1 493601761 JUSURHKUSSKWEE-UHFFFAOYSA-N 447.426 4.454 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCc2c(Br)cc(C)cc2C1 494414315 WDDCEMIQWNBNJD-UHFFFAOYSA-N 448.317 4.061 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NCc1ccc(Br)s1 494710003 OZIZFERJBPLTFW-UHFFFAOYSA-N 438.225 4.437 5 20 IIBD CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 494870228 GZMDTBNFJNLGKW-OAHLLOKOSA-N 440.331 4.466 5 20 IIBD CCCc1[nH]nc(C(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)c1[N+](=O)[O-] 497850558 BKJFHIGIJQXPAA-OAHLLOKOSA-N 440.422 4.282 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1NC(=O)CCN(C)C 500389703 JDEBSTWOBJMHMJ-UHFFFAOYSA-N 438.406 4.065 5 20 IIBD CCCOc1cc(NC(=O)c2ccc(-c3ncn(C)n3)cc2)c([N+](=O)[O-])cc1OCCC 502569744 MORCLHFSIVLUHS-UHFFFAOYSA-N 439.472 4.220 5 20 IIBD COC1(CN[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)CCC1 502600808 GCBQEPBOTYPDMU-GOSISDBHSA-N 448.317 4.196 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 502869410 GNJIQRNJUWYERJ-UHFFFAOYSA-N 425.485 4.420 5 20 IIBD O=c1c2ccccc2nc(SCc2c(F)cc([N+](=O)[O-])cc2F)n1C[C@@H]1CCCO1 505438363 ONEOQUKPFDAADY-ZDUSSCGKSA-N 433.436 4.054 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C 507556668 XKANNMHLFKVJIL-CYBMUJFWSA-N 448.508 4.407 5 20 IIBD COc1cc(CNCCC(=O)N2CCCCCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 507945152 KGTYDDGVHGNPRR-UHFFFAOYSA-N 441.528 4.065 5 20 IIBD COc1cc([C@@H](NCc2c(F)cc([N+](=O)[O-])cc2F)C(F)(F)F)cc(OC)c1OC 509034047 SMTYTBLUTXMVMH-QGZVFWFLSA-N 436.333 4.292 5 20 IIBD CCOc1cc(C(=O)Nc2cc(F)c(Br)cc2F)c([N+](=O)[O-])cc1OC 510190443 DWQPGFHAAJLEHY-UHFFFAOYSA-N 431.189 4.295 5 20 IIBD COc1ccc(OC2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)cc1 515468652 VLGGDZBLRHIIHF-UHFFFAOYSA-N 437.399 4.280 5 20 IIBD COc1ccc([C@@H](NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c2ccc(F)cc2)cc1 518699975 CAHBMITUXVMXOA-DEOSSOPVSA-N 435.455 4.011 5 20 IIBD NC(=O)c1ccc(SCC(=O)Nc2cccc(COC3CCCCC3)c2)c([N+](=O)[O-])c1 519077092 XHAARLSPYWNKIO-UHFFFAOYSA-N 443.525 4.274 5 20 IIBD CCOc1cc(C(=O)N[C@H]2C[C@H]2c2cccc(Br)c2)c([N+](=O)[O-])cc1OC 520347431 FEASAROPINQRHS-ZFWWWQNUSA-N 435.274 4.051 5 20 IIBD CC(C)(NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 520721685 IVXBWPFZBOFNOS-UHFFFAOYSA-N 439.493 4.061 5 20 IIBD O=[N+]([O-])c1cccc(CS(=O)(=O)Cc2cc(Br)ccc2OC(F)F)c1 521184088 RFXSQYJPHXDHJH-UHFFFAOYSA-N 436.230 4.074 5 20 IIBD CCOC(=O)Cn1ccc2cc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])ccc21 522787286 WJUJOCFKFSYBDV-ZDUSSCGKSA-N 445.859 4.172 5 20 IIBD COc1ccc([C@H](NC(=O)CCn2cc([N+](=O)[O-])nc2C)c2ccccc2Cl)cc1 523513657 RKIPIVHTUPEZIO-NRFANRHFSA-N 428.876 4.058 5 20 IIBD C[C@H](Nc1ccc(C(=O)N(Cc2ccccc2)C[C@@H](C)O)cc1[N+](=O)[O-])c1ccccn1 524990067 FMUFWPKYSFFFBZ-MSOLQXFVSA-N 434.496 4.186 5 20 IIBD CC(C)(C)c1nc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)cc2[nH]1 530287297 DBYZTVKSFDGKOB-OAHLLOKOSA-N 441.513 4.073 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(c2ncc(Cl)cc2Cl)CC1 532473420 RNRTZDWHCDJKKC-LBPRGKRZSA-N 449.298 4.230 5 20 IIBD O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3nc(O)c4cc(-c5ccccc5)sc4n3)C2)nc1 532706934 GLMHWSHBHNPAGW-OAHLLOKOSA-N 448.508 4.054 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cnc(-c3ccccc3)s2)cc1OC 534350076 FAUKLQSCVNWYBH-UHFFFAOYSA-N 429.454 4.004 5 20 IIBD Cc1cc(C(=O)N[C@@H](C)c2ccccc2NS(=O)(=O)c2cccs2)cc([N+](=O)[O-])c1 535122787 ZUBZBGQFHBANQQ-AWEZNQCLSA-N 445.522 4.257 5 20 IIBD C[C@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 538797927 FLQXBUNUHRDRLB-QWHCGFSZSA-N 441.488 4.162 5 20 IIBD C[C@@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(OCc2cccnc2)cc1 539227053 XWUISVNUYZFSIC-MRXNPFEDSA-N 431.452 4.470 5 20 IIBD O=C(NCCC1CCN(CC(F)(F)F)CC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 540587960 YUSUWXCAEYKTBU-UHFFFAOYSA-N 436.434 4.051 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)c1ccc(OCC(C)C)c(OC)c1 544110819 SIPNUGADFSSXFY-HNNXBMFYSA-N 431.489 4.207 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(Cc3nnc4n3CCCCC4)no2)ccc1NCc1ccccc1 544941217 RNQWHCNQGHCPNU-UHFFFAOYSA-N 445.483 4.166 5 20 IIBD CN(Cc1nnc2n1CCC2)C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 545219722 IABDRAYSCZRDDC-UHFFFAOYSA-N 443.916 4.209 5 20 IIBD COCCOc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)cc1 545757429 SFMVQICXGQCAKB-UHFFFAOYSA-N 434.246 4.023 5 20 IIBD CS[C@H]1C(=O)Nc2ccc(-c3noc(CCOc4ccc(Cl)cc4[N+](=O)[O-])n3)cc21 546505018 KUYOMNZDPAFSSA-QGZVFWFLSA-N 446.872 4.276 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 548925937 RTVBDPARYRFMSH-UHFFFAOYSA-N 437.402 4.182 5 20 IIBD O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 553176009 NPQPPMWUROXGPO-AREMUKBSSA-N 442.519 4.395 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccnc(N3CCc4ccccc4C3)c2)cc1OC 553259523 SYXUUCPZKHFUST-UHFFFAOYSA-N 448.479 4.212 5 20 IIBD CCc1c(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)nnn1Cc1ccc(F)cc1 554909164 VOQSIPRRSOFMBK-UHFFFAOYSA-N 440.479 4.081 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1)C(C)(C)CO 555884512 CVUIGLONYUCEDX-KRWDZBQOSA-N 435.318 4.198 5 20 IIBD COc1ccccc1O[C@@H]1CCCN(C(=O)c2sc(Br)cc2[N+](=O)[O-])C1 557142742 DPAXLOSYKKTQRF-LLVKDONJSA-N 441.303 4.111 5 20 IIBD CC(C)c1[nH]nc(C(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)c1[N+](=O)[O-] 557438781 UHRSFNLJOXRUNY-FZMZJTMJSA-N 426.395 4.062 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccccc2-c2ccc(Cn3cccn3)cc2)n1 561185087 NQGGTIZIWSTPOB-UHFFFAOYSA-N 443.463 4.300 5 20 IIBD CC[C@@H](CN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)OC 562231176 JYTJYZSITXKBDW-YJBOKZPZSA-N 436.306 4.052 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1ccc2c(c1)CCCCC2=O)c1ccccc1[N+](=O)[O-] 572207984 XBSNNJVQLLMXSO-FQEVSTJZSA-N 438.480 4.317 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 575076230 JLYZNSISSJKVCD-CQSZACIVSA-N 447.333 4.016 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCC[C@H](c4nnc(O)o4)C3)cc2[N+](=O)[O-])cc1 579527104 CZICXLBIBQYSNR-HNNXBMFYSA-N 440.481 4.163 5 20 IIBD NC(=O)Cc1ccc(CNCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1 589320684 DPQMZWKPMNDWNI-UHFFFAOYSA-N 425.872 4.358 5 20 IIBD CCOc1c(Cl)cc(C(=O)Nc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)cc1OC 592946750 CVJIQZHJGAVHRV-UHFFFAOYSA-N 430.848 4.402 5 20 IIBD O=C(c1ccc(NCC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1)N1CCOCC1 603473047 XFAMROZNGDZXSQ-UHFFFAOYSA-N 431.492 4.311 5 20 IIBD CCCCOc1ccc(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1OC 603893696 WTHPFRDSBUOLBC-UHFFFAOYSA-N 427.501 4.313 5 20 IIBD O=C(Nc1ccc(OCc2ccccc2)nc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 603971514 UEAAJBZPKZHDGP-UHFFFAOYSA-N 432.480 4.424 5 20 IIBD COc1ccc(-c2ccc(CNC[C@@H](O)COc3c(C)cccc3C)o2)c([N+](=O)[O-])c1 608836673 DKPTWUQMQHBHFF-QGZVFWFLSA-N 426.469 4.010 5 20 IIBD CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2F)nnc1-c1ccc(Cl)cc1 608870535 JAHRLSLHKWJTAF-UHFFFAOYSA-N 435.868 4.397 5 20 IIBD CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 609053217 IGTSLRCLARONRP-UHFFFAOYSA-N 440.433 4.481 5 20 IIBD O=C(Nc1ccc(F)cc1-c1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 609137659 SZTMWKMSMRFNIK-UHFFFAOYSA-N 439.422 4.289 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1 609454504 USEHRVBXZLZYAU-NRFANRHFSA-N 447.495 4.106 5 20 IIBD CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@@H]1CCN(c2ccccc2Cl)C1=O 609527223 WVNSTUBDAQUEHU-MRXNPFEDSA-N 429.885 4.340 5 20 IIBD O=C(Nc1ccccc1-c1ccccc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 610140853 OXLZXWJHPAKGJD-UHFFFAOYSA-N 430.464 4.252 5 20 IIBD CCC(CC)C(=O)N1CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 610858756 ULHMVOLYNLOEHH-UHFFFAOYSA-N 441.553 4.467 5 20 IIBD COC[C@@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1cccc(C(F)(F)F)c1 611396601 BHUHXDRTTJLPFK-GOSISDBHSA-N 425.407 4.228 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 611529845 MDQKKUPPYHNKLI-NRFANRHFSA-N 445.479 4.092 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H](Cn2cnc3ccccc32)C1 619544454 KSPYHEMGFNOWPT-AWEZNQCLSA-N 443.301 4.259 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc1OC 619564822 RMURGAFUJFDUDI-CYBMUJFWSA-N 445.497 4.072 5 20 IIBD C[C@@H](OC(=O)c1cccc2c1ccn2C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 727027771 OCLVJILLTGCDPY-LLVKDONJSA-N 435.358 4.289 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N1CC[C@H](N2CCCC2)C1 727160175 WYNSLAJODXPKLO-GHTZIAJQSA-N 428.920 4.098 5 20 IIBD O=C(OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(-c2ccc(F)cc2)cc1F 730056210 JZYOPKPYMYWKJG-UHFFFAOYSA-N 438.386 4.286 5 20 IIBD CC(C)c1ocnc1C(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 731973961 QGOWSFSCCIATJC-UHFFFAOYSA-N 440.525 4.393 5 20 IIBD O=C(NC1(C(F)(F)F)CCCCC1)c1cc([N+](=O)[O-])ccc1I 733966584 DTTVHQDCLNZUFM-UHFFFAOYSA-N 442.175 4.194 5 20 IIBD C[C@H](Nc1cccc2c1CCN(C(=O)OC(C)(C)C)C2)C(=O)Nc1ccc([N+](=O)[O-])cc1 734158013 GMAKKATZWPRLLG-HNNXBMFYSA-N 440.500 4.327 5 20 IIBD CC(C)(C)OC(=O)N1CCc2c(cccc2NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 734212772 HJAFLHILNQQVTH-UHFFFAOYSA-N 440.500 4.252 5 20 IIBD COc1cccc(-c2nc(COC(=O)c3cc(O)nc4ccc([N+](=O)[O-])cc34)cs2)c1 735351568 ADNGINLJESHVGE-UHFFFAOYSA-N 437.433 4.338 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2cc(Cl)sc2Cl)c(Br)c1 738403131 FYPLUBOMGGRKOM-UHFFFAOYSA-N 433.088 4.493 5 20 IIBD O=C(O[C@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1Br 740422393 JFYDZVZDRQTJOR-SFHVURJKSA-N 447.285 4.268 5 20 IIBD CCCNC(=O)c1cccc(C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 741173868 WQACLHHLDVVFGZ-UHFFFAOYSA-N 447.447 4.206 5 20 IIBD O=C(OCc1ccccc1)N1CCO[C@@H](c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 743052809 OXLIYPOVAPNBPQ-LJQANCHMSA-N 425.466 4.428 5 20 IIBD Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cccc1N1CCOC1=O 743789452 LWFHPIDEXPRTEK-UHFFFAOYSA-N 438.484 4.348 5 20 IIBD COc1ccc(NC(=O)COC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])c1 745350712 MZKGQZMZPPDQNI-HUUCEWRRSA-N 439.251 4.196 5 20 IIBD Cn1cc(COC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)cn1 745937037 CGPWWCZMIRHYRI-UHFFFAOYSA-N 426.479 4.446 5 20 IIBD O=C(N[C@H](Cc1ccccc1)C(=O)OCc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 746058402 JBJRSYBBVNYEAY-HXUWFJFHSA-N 438.867 4.333 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC3(CCC3)Oc3ccccc32)c(C(F)(F)F)c1 746669276 MKKAYCZIRJMZAK-OAHLLOKOSA-N 442.415 4.338 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 747418744 MEFNIANWNOBUCU-FUHWJXTLSA-N 426.366 4.481 5 20 IIBD C[C@@H](OC(=O)c1ccccc1NC(=O)OC(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 748330822 DDXDOXBBVLHTJE-CYBMUJFWSA-N 429.429 4.126 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)[C@@H](O)c1c(F)cccc1Cl 748391161 IZRPYEGPBZUBEC-RNODOKPDSA-N 435.883 4.230 5 20 IIBD CC(C)c1cccc(O[C@H](C)C(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)c1 750427728 OINKHNJOOPXFNF-QGZVFWFLSA-N 427.501 4.340 5 20 IIBD O=C(NCc1ccco1)c1ccccc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 750820211 XXAIOCROBICOKU-UHFFFAOYSA-N 444.241 4.133 5 20 IIBD O=C(CCc1nnc(-c2cc3ccccc3o2)o1)OCc1nc2cc([N+](=O)[O-])ccc2o1 751658324 QUFCQYANZCDEFI-UHFFFAOYSA-N 434.364 4.208 5 20 IIBD COC[C@H](OC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(F)(F)F 752539896 FRVGPOFNZSLNTE-SFHVURJKSA-N 449.385 4.111 5 20 IIBD COc1ccc2cc(CN(C)C(=O)COC(=O)c3cc(F)cc(C)c3[N+](=O)[O-])ccc2c1 752557191 HJJFVXREQLMCHP-UHFFFAOYSA-N 440.427 4.020 5 20 IIBD C[C@@H](OC(=O)c1ccc(Cl)c(Br)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 753424602 CXNAHRTZXKPFMQ-SECBINFHSA-N 427.638 4.195 5 20 IIBD O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cc(F)cc([N+](=O)[O-])c1Br 754968192 VLBNQJUYXWHRRB-MRXNPFEDSA-N 436.281 4.063 5 20 IIBD COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 756996941 MRHLZZILYZBJMK-GOSISDBHSA-N 449.891 4.139 5 20 IIBD CCN(CC1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1)C(=O)OC(C)(C)C 759234122 OSPNOTZIFQPAIR-UHFFFAOYSA-N 444.532 4.114 5 20 IIBD Cc1ccc(Oc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3C)cc2)nn1 761897025 BGXXNMJYFXKJKQ-UHFFFAOYSA-N 434.861 4.248 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)Nc1ccccc1C(F)(F)F 766219726 HVNLMYSLIPMUNS-LLVKDONJSA-N 433.342 4.346 5 20 IIBD Cc1ccc(F)c(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1F 766977579 GWZYLAAHVMMWQO-VIFPVBQESA-N 432.301 4.384 5 20 IIBD COc1cccc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1[N+](=O)[O-] 769605872 PNWFIPKEFDRNDO-SECBINFHSA-N 446.765 4.460 5 20 IIBD CC(=O)CCc1ccc(O[C@H](C)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1 770321019 WZKSKOCQOPGZTO-CYBMUJFWSA-N 435.274 4.285 5 20 IIBD COC(=O)[C@@H](Cc1ccc(Cl)cc1)OC(=O)c1sc(Br)cc1[N+](=O)[O-] 773600451 UCZXVCKHGFUGIT-LLVKDONJSA-N 448.678 4.013 5 20 IIBD Cc1nc(Br)ccc1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 773709516 GUHUFKKIRJADLJ-UHFFFAOYSA-N 444.289 4.175 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)CC2 773984225 BFIIRNZDYVIXCX-GOSISDBHSA-N 425.485 4.448 5 20 IIBD O=C(OCC1CCN(c2cnccn2)CC1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 774561455 KRADJDNOILZFJG-UHFFFAOYSA-N 434.452 4.251 5 20 IIBD COc1ccc(OC)c(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c1 775086040 JUHYFBQCAMZEGH-CYBMUJFWSA-N 448.497 4.297 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1SCC(=O)N1CCCC1 778092855 CEHLFRARIVDQII-UHFFFAOYSA-N 434.901 4.320 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 778761748 SKMCDVDWWHLANI-BANJIEJESA-N 444.484 4.237 5 20 IIBD Cc1nc(CCC(=O)O[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3F)C2)oc1-c1ccccc1 778800875 GXNHIKHTOMAJNN-GOSISDBHSA-N 439.443 4.452 5 20 IIBD CCCc1[nH]nc(C(=O)N[C@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)c1[N+](=O)[O-] 779353002 YVIQKPPEOQKOMD-INIZCTEOSA-N 443.504 4.425 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 779742841 TWQXYGROBXONRQ-UHFFFAOYSA-N 428.558 4.491 5 20 IIBD O=C(OC1CCN(C(=O)c2ccccc2F)CC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 781470833 GFAFOKWIWYUTDR-UHFFFAOYSA-N 444.462 4.282 5 20 IIBD O=C(Cc1csc(NC(=O)c2cccs2)n1)OCc1ccc(Cl)cc1[N+](=O)[O-] 782307972 AMJPSKBAWVWBRW-UHFFFAOYSA-N 437.886 4.304 5 20 IIBD O=C(NCc1ccccc1Oc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 783316320 OAEHTDDQBBUYOL-UHFFFAOYSA-N 425.828 4.295 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(N2CCc3c(ncn3CCc3ccccc3)C2)cc1Cl 784168648 ZGGACURAYKIJNZ-UHFFFAOYSA-N 440.887 4.037 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)CC(=O)Nc1ccccc1Cl 785700813 RSCTWPQRCJJOLC-UHFFFAOYSA-N 440.681 4.030 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)/C=C/c2cncc(F)c2)c2ccccc2)c([N+](=O)[O-])c1 785860196 YHUUCYLSRALWOF-RCHCNPRSSA-N 435.411 4.374 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(C(=O)c2cc3ccccc3s2)CC1 788548768 NLIDPBYBRDRLRY-UHFFFAOYSA-N 444.900 4.453 5 20 IIBD COC(=O)COc1ccc(CN2CCCCC[C@H]2C[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] 789514195 PTKXVKNEPFHWHR-RBBKRZOGSA-N 442.512 4.015 5 20 IIBD Cc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790742442 RDSKFPGIXUVFBW-JTQLQIEISA-N 429.231 4.462 5 20 IIBD C[C@@H](OC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1Cl 790745759 PGTBHWVDFAVLOE-MRVPVSSYSA-N 433.194 4.293 5 20 IIBD Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790903803 BEXZSXKBPWXEGL-OAHLLOKOSA-N 430.867 4.279 5 20 IIBD COc1cc(C(=O)OC[C@@H]2CCC(=O)N(C)[C@H]2c2cccc(Cl)c2)cc([N+](=O)[O-])c1C 791810862 IWPGXOQOFYSGGX-BTYIYWSLSA-N 446.887 4.332 5 20 IIBD C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 794805472 WUNJLYIWSTVLGG-XIKOKIGWSA-N 425.363 4.484 5 20 IIBD Cc1nc(C(C)C)oc1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 796213450 YWPHRDHSBWVWQO-JTQLQIEISA-N 429.351 4.217 5 20 IIBD C[C@H](OC(=O)[C@H](C)[C@H]1OCCc2sccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 796479451 DFMLWSHGJBGXBL-VGTOOOLASA-N 438.889 4.130 5 20 IIBD CC(C)(C)OC(=O)NCC[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 799738497 BUULHGLLZJYIJP-AWEZNQCLSA-N 429.464 4.323 5 20 IIBD CCCN1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])cc(C)c3F)c(OCC)c2)CC1 808796789 RBDGSUZGMZTEJZ-UHFFFAOYSA-N 444.507 4.225 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N[C@H](c2ccccc2)c2nccs2)c(Cl)cc1Cl 809814983 JUWHLEBDBLAKEQ-OAHLLOKOSA-N 444.321 4.426 5 20 IIBD COC(=O)c1cccc(NC2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3Cl)CC2)c1 809913476 LEMKAHRKCYCZNY-UHFFFAOYSA-N 432.864 4.143 5 20 IIBD O=C(O[C@H]1CCN2CCC[C@H]2C1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 810846910 JOKPDZIPRBWRIG-IRXDYDNUSA-N 441.450 4.000 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Nc2ccccc2)c([N+](=O)[O-])c1 817978814 FCPLGXIRIWRAHS-UHFFFAOYSA-N 444.425 4.056 5 20 IIBD CCNc1ccc(C(=O)O[C@H](C(=O)Nc2cccc(C(C)=O)c2)C(C)C)cc1[N+](=O)[O-] 877039280 ISUGPBAGASCPFU-FQEVSTJZSA-N 427.457 4.049 5 20 IIBD C[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)c1cccc([N+](=O)[O-])c1 914636339 POEGRGXZIRPUNX-TZMCWYRMSA-N 433.258 4.015 5 20 IIBD COc1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1OCC(F)(F)F 914742401 FWYWSNWQIZGTLE-UHFFFAOYSA-N 429.307 4.013 5 20 IIBD C[C@@H](OC(=O)c1cc2c(F)cccc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 915471782 GHGAWSUYDVMOQV-SECBINFHSA-N 439.321 4.418 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1OC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 916402613 SNIQOYBLBKOSFI-UHFFFAOYSA-N 447.285 4.124 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC(C2CCCCC2)CC1 917336783 MBXPIPWZBFOOLU-OAQYLSRUSA-N 447.601 4.265 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 918193516 JMYQQZLZRDMPKO-UHFFFAOYSA-N 439.852 4.097 5 20 IIBD Cc1nccn1-c1ccc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cn1 919749280 ZZPMUUCNJMZOBH-HNNXBMFYSA-N 443.467 4.304 5 20 IIBD CCOCc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Br)cc2C)cc1 1116667465 OXPULXUJDUCDOM-UHFFFAOYSA-N 429.292 4.003 5 20 IIBD O=C(CCc1nc(-c2ccccc2)no1)OCc1ccc([N+](=O)[O-])cc1Br 1320368333 ZJEYUFFYNKIQGJ-UHFFFAOYSA-N 432.230 4.083 5 20 IIBD CCOc1ccc(-c2nnc(CSCc3ccc(OC)c([N+](=O)[O-])c3)o2)cc1OC 1341471611 LOSXOMUNOBFTEY-UHFFFAOYSA-N 431.470 4.494 5 20 IIBD Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCC=CO4)CCC3)cc2)cc1[N+](=O)[O-] 1790523885 AFBZSIYIPSPSRC-QFIPXVFZSA-N 449.507 4.273 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C2CC2)cc1 1800732472 GEBSQTRIFJECSM-DVRPQVHLSA-N 445.519 4.437 5 20 IIBD C/C=C(\C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(F)ccc([N+](=O)[O-])c2C)CC1 1830729319 MIEWHIHDTFKVNR-QXAHNEEPSA-N 431.508 4.242 5 20 IIBD COc1cc(C(=O)OCC(=O)Nc2ccccc2C(C)C)c([N+](=O)[O-])cc1OC(F)F 10209085 AKZHFJZDCSRNON-UHFFFAOYSA-N 438.383 4.124 5 20 IIBD C[C@@H](OC(=O)CCSc1ccc(F)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 21183137 ZRWSPEMEFVUNIH-LLVKDONJSA-N 426.853 4.440 5 20 IIBD Cc1ccc(F)cc1NC(=O)[C@@H](C)OC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 21752974 VUMFONALUQNYKR-LLVKDONJSA-N 443.353 4.043 5 20 IIBD COc1ccc(C2=NN(C(=O)COc3cc(F)ccc3[N+](=O)[O-])[C@H](c3ccco3)C2)cc1 22114034 NFEFAPABIBQHTN-IBGZPJMESA-N 439.399 4.092 5 20 IIBD CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nc2cc3ccccc3cc2c1=O 24890890 PPWHXKGQULXSOA-UHFFFAOYSA-N 434.477 4.209 5 20 IIBD Cc1ccc([C@H](NC(=O)COC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 24997569 LKKZXTDORFWDJH-BTYIYWSLSA-N 428.510 4.195 5 20 IIBD C[C@@H](Sc1nnc2n1CCCCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 25020390 SEBCEPUTHGNPTB-SNVBAGLBSA-N 429.424 4.051 5 20 IIBD COc1cc([C@H](C)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1OC(C)C 26953524 JKIPTHPACRDLNA-INIZCTEOSA-N 427.501 4.482 5 20 IIBD CN(Cc1ccccc1)C(=O)COc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1 28609939 ZBWPMPOTSCTINS-UHFFFAOYSA-N 444.443 4.406 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N(C)Cc3nccn3C(F)F)cc2[N+](=O)[O-])n1 29181790 QSWHUDWQYCPEKH-UHFFFAOYSA-N 439.469 4.375 5 20 IIBD CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c1 34889858 NBCXZKCDCLBVKZ-QINSGFPZSA-N 437.477 4.072 5 20 IIBD CC(C)c1ccc(-c2nc(COc3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])cs2)cc1 58573752 GJVAUIXSLNTJQB-UHFFFAOYSA-N 433.511 4.068 5 20 IIBD O=C(Cc1csc(-c2cccc(Br)c2)n1)NCCc1ccc([N+](=O)[O-])cc1 64778619 YBPQVRPAOPLPGM-UHFFFAOYSA-N 446.326 4.382 5 20 IIBD Cc1cc(C)n(-c2ccc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)c(C)s3)cn2)n1 195704304 UUGYXYIHZXUWJG-UHFFFAOYSA-N 434.481 4.477 5 20 IIBD O=C(Nc1cccc(OC2CCCC2)c1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303411935 ALCXCJFTZUIWDE-QGZVFWFLSA-N 429.498 4.221 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCCc2c(C)noc2C)cc1[N+](=O)[O-] 410041077 LAPIUCKDEIJCNK-UHFFFAOYSA-N 439.493 4.125 5 20 IIBD COC(=O)c1cc(C(=O)N2CCC(c3ccc(Br)cc3)CC2)cc([N+](=O)[O-])c1 410386343 FHSKMTPDWKGKBD-UHFFFAOYSA-N 447.285 4.164 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 426861778 MONNWSMZIWPMJD-NRFANRHFSA-N 425.876 4.007 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCC(OC[C@H]4CCCCO4)CC3)cc2[N+](=O)[O-])CC1 427137796 SXARLDTYOMTHBN-OAQYLSRUSA-N 445.560 4.021 5 20 IIBD CS(=O)(=O)CC1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 430144873 IBSYGJNUSNHLNX-UHFFFAOYSA-N 438.933 4.297 5 20 IIBD CCCC1CCC(NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CC1 430337826 HBHBFSDCWPTRAP-UHFFFAOYSA-N 426.311 4.079 5 20 IIBD C[S@@](=O)Cc1cc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])ccc1Cl 430601693 FCEQHEOWBASTPY-XMMPIXPASA-N 431.695 4.142 5 20 IIBD Cc1cc(NC(=O)COc2c(Br)cccc2[N+](=O)[O-])n(-c2ccc(F)cc2)n1 431225267 RAQPLBXYAIDMIB-UHFFFAOYSA-N 449.236 4.008 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3c(CC)cccc3CC)CC2)ccc1[N+](=O)[O-] 431427233 MORQSKJWYCPJHF-UHFFFAOYSA-N 426.517 4.472 5 20 IIBD CC(C)(C)c1cc(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)n(C(C)(C)C)n1 431570862 MVXXKEICHDZKNU-UHFFFAOYSA-N 425.489 4.410 5 20 IIBD CCOc1cc(C)ccc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1 431899282 CHLKCDSGLXLXRB-UHFFFAOYSA-N 428.489 4.055 5 20 IIBD COc1ccc(C2=NN(C(=O)COc3cc(F)cc([N+](=O)[O-])c3)[C@@H](c3ccco3)C2)cc1 433415079 ZMIJGLSOZMTNPE-HXUWFJFHSA-N 439.399 4.092 5 20 IIBD CS(=O)(=O)c1cccc([C@@H](Nc2ncc(Cl)cc2[N+](=O)[O-])c2ccc(F)cc2)c1 434954030 FSCWDTKDCHUXMF-SFHVURJKSA-N 435.864 4.387 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cc1C 435228738 XTLDOTHMNQODCF-LBPRGKRZSA-N 449.476 4.255 5 20 IIBD CN(CCOc1ccc(F)cc1)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 435938636 FDDXJXMVRUJEHB-UHFFFAOYSA-N 426.394 4.250 5 20 IIBD CN(CCOc1ccc(F)cc1)C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 435939966 PHENTEIJLSECBN-UHFFFAOYSA-N 426.394 4.250 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc([C@H](C)Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])cc1 436261492 OVHFCBMYBOWECN-LBPRGKRZSA-N 446.451 4.212 5 20 IIBD O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1O 436976297 BLSVHMCADZNDMU-MRXNPFEDSA-N 438.267 4.241 5 20 IIBD O=C(Nc1ccc(OC2CCCC2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 437534854 FEYPVLGXOAKFHR-UHFFFAOYSA-N 435.383 4.095 5 20 IIBD C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437985763 MQKBBSBXNSQANF-RTBURBONSA-N 436.556 4.425 5 20 IIBD Cc1cc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)ccc1Br 438656294 PALZVDGQMRGNDX-UHFFFAOYSA-N 434.290 4.041 5 20 IIBD CO[C@H](C)c1nc(CNC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cs1 438989381 ZANUXDHALLJLRU-SOUVJXGZSA-N 432.546 4.171 5 20 IIBD C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 440498773 UTIZHUTWDVORKS-QZTJIDSGSA-N 447.495 4.296 5 20 IIBD CNC(=O)c1cccc(CCNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])c1 440618500 AUMXZTDLSKJCBC-UHFFFAOYSA-N 435.505 4.078 5 20 IIBD COc1ccc(NC(C)=O)cc1N(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(C)C 441603277 ODDKKQDEPUCTGT-UHFFFAOYSA-N 426.473 4.191 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCC(n2cc(Cl)cn2)CC1 444286616 AQZQBNIFYNNQEH-UHFFFAOYSA-N 442.853 4.287 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NC[C@@H](CCO)c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 444571070 BVNMBBOSNZDAKU-YLJYHZDGSA-N 434.496 4.059 5 20 IIBD COc1ccc(NC(=O)CN[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)c([N+](=O)[O-])c1 444811083 HDSFJCRJSJUOMJ-MRXNPFEDSA-N 435.761 4.228 5 20 IIBD CCCS(=O)(=O)Cc1noc(-c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1 445459253 YYVHEMGKXMLXFW-UHFFFAOYSA-N 437.861 4.415 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(-c3cccc(NS(=O)(=O)c4ccccc4)c3)n2)s1 445485043 ZSYRKDXBKBTNPS-UHFFFAOYSA-N 428.451 4.174 5 20 IIBD Cc1ccc(-c2csc(NC(=O)c3ccc(O[C@@H]4CCOC4)cc3)n2)cc1[N+](=O)[O-] 448126861 DZPYGRIPLQBGMK-QGZVFWFLSA-N 425.466 4.447 5 20 IIBD CCc1ccccc1NC(=O)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)C 460616969 YOYFWNRZOMSNDD-UHFFFAOYSA-N 436.516 4.147 5 20 IIBD O=C(NCC1(c2cccc(C(F)(F)F)c2)CCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 461187875 RQTLTYHADZKZRN-UHFFFAOYSA-N 445.401 4.046 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1CNc1ccc(C(=O)N2CCOCC2)c(Cl)c1 462235887 UVTIZGQLICWJDR-UHFFFAOYSA-N 433.892 4.120 5 20 IIBD O=C1CC[C@@]2(C(=O)Nc3ccc([N+](=O)[O-])c4ncccc34)Sc3ccc(Cl)cc3N12 463134714 LZUURECVWQGUCK-FQEVSTJZSA-N 440.868 4.364 5 20 IIBD CCOC(=O)c1cc(C(=O)N(CCc2ccc(C)cc2)CC(F)(F)F)cc([N+](=O)[O-])c1 463935830 YQMSYEQUWVDFOW-UHFFFAOYSA-N 438.402 4.327 5 20 IIBD C[C@H](NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1c(Cl)ccc(F)c1Cl 465076113 WMPNDKWCCVIKHS-VIFPVBQESA-N 429.231 4.232 5 20 IIBD CC[C@H]1Oc2cc([C@@H](C)NC(=O)NCCCCc3ccc([N+](=O)[O-])cc3)ccc2NC1=O 466759201 UNTIKLYQYDPZRR-FOIQADDNSA-N 440.500 4.087 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N(C)CCCOCc3ccccc3)cc2)c(C)c1[N+](=O)[O-] 466771479 KIHJHKBIQAAHDW-UHFFFAOYSA-N 436.512 4.135 5 20 IIBD CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 466901032 XHZLYVRAZJNREJ-QMMMGPOBSA-N 429.829 4.153 5 20 IIBD Cc1nc(CN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c2ccc(F)cc2)cs1 466994890 NRPBLKSYSCDBQG-UHFFFAOYSA-N 443.456 4.046 5 20 IIBD O=C(NCc1nc2c(s1)C[C@H](c1ccccc1)CC2)c1n[nH]c2ccc([N+](=O)[O-])cc12 468733198 JTPCAECEWVWKPX-CQSZACIVSA-N 433.493 4.130 5 20 IIBD CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 469493843 LDCBHEBHKMRVMJ-OALUTQOASA-N 435.480 4.047 5 20 IIBD Cc1ccc([C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c2ccccn2)cc1 471388291 BJJUHCRCVJKEHZ-DEOSSOPVSA-N 430.508 4.420 5 20 IIBD C[C@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)c1ccc(Cl)c(Cl)c1 471803309 GUKQNXVKPKCKGE-NSHDSACASA-N 442.324 4.051 5 20 IIBD Cc1cc(C(=O)Nc2cc3c(cc2NC(=O)c2cccs2)OCCO3)ccc1[N+](=O)[O-] 473456973 ADSDVGVHSIFZLM-UHFFFAOYSA-N 439.449 4.241 5 20 IIBD CS(=O)(=O)c1ccc(N2CCC(c3ccccc3C(F)(F)F)CC2)c([N+](=O)[O-])c1 474775171 MMZMYGJCBJTVNN-UHFFFAOYSA-N 428.432 4.401 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCN(c2cccc(O)c2)CC1 479471333 UPDQUAPNGIMTBI-UHFFFAOYSA-N 435.505 4.414 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2nnc3n2CCCC3)CC1 479806679 PNFZXOPKNOVZHQ-UHFFFAOYSA-N 443.573 4.291 5 20 IIBD C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCCn2ccc([N+](=O)[O-])n2)nnc1-c1ccco1 481251497 AAKAAQLPAIFFLC-YHUYYLMFSA-N 428.518 4.432 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2ccccc2OC)nnc1-c1ccc([N+](=O)[O-])cc1 481362382 GCJYWEOEQOAPLH-CYBMUJFWSA-N 427.486 4.001 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C 481982786 QUYQLPJJJVSVBT-AWEZNQCLSA-N 445.541 4.193 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2cccc(Br)c2)cc1SC 482468011 USGCGBWFYSTJRM-UHFFFAOYSA-N 425.304 4.360 5 20 IIBD COc1cc(C(=O)Nc2cc(CCc3ccccc3C)[nH]n2)c([N+](=O)[O-])cc1OC(F)F 484851936 RXRMEDAVISVCIE-UHFFFAOYSA-N 446.410 4.274 5 20 IIBD C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 484978505 HAEPSCQPNNGMDN-KUHUBIRLSA-N 449.429 4.343 5 20 IIBD O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1sc(Br)cc1[N+](=O)[O-] 486137950 OGVJWBPCEAMOTA-WCQYABFASA-N 429.267 4.208 5 20 IIBD COC(=O)c1sc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])nc1C(C)(C)C 486201363 CNQFHPPTHQASOY-UHFFFAOYSA-N 448.320 4.212 5 20 IIBD CSc1cc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)ccc1NC(C)=O 486680908 BKMISIBTWVFADS-UHFFFAOYSA-N 427.404 4.224 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C(C)(C)c1ccccc1 487012543 ONKMXDHKFGKWAS-OAHLLOKOSA-N 430.526 4.346 5 20 IIBD CC(C)OCCN1CCC(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 488134933 FJKRJYQFHSIVNZ-UHFFFAOYSA-N 443.569 4.365 5 20 IIBD CCn1cnnc1-c1ccccc1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 488277831 HGOBDAHWZSSNMY-UHFFFAOYSA-N 434.378 4.214 5 20 IIBD CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 489149491 SVXMCJKTLPKZQS-KRWDZBQOSA-N 449.511 4.277 5 20 IIBD COc1ccc(NC(=O)CN[C@H](c2ccccc2OC(F)F)C(F)(F)F)c([N+](=O)[O-])c1 491379472 ISFZNPQDBCKNRP-MRXNPFEDSA-N 449.332 4.037 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)Cc1cc(Br)ccc1Cl 494268192 MUXFDTRGQXBFGS-UHFFFAOYSA-N 442.697 4.090 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC1CCN(CC2CCCC2)CC1 495168267 AUUJMVCNRNYQJN-UHFFFAOYSA-N 428.455 4.067 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)cc1[N+](=O)[O-] 495902539 NACVTTDNNJTTSF-MJGOQNOKSA-N 445.585 4.349 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 501979584 OVWVCHJEYYOFDG-IBGZPJMESA-N 427.476 4.023 5 20 IIBD CC(C)N1CCN(c2cccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])c2)CC1 502867042 JUPWAJHHJNLJBW-INIZCTEOSA-N 446.935 4.185 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCO[C@@H](c2ccccc2Cl)C1 505148330 HKJZRCGLCPLLDY-KPZWWZAWSA-N 425.268 4.269 5 20 IIBD CCOc1cc(NC(=O)N2CC[C@@H](c3ccc(OC)cc3)C2)c([N+](=O)[O-])cc1OCC 506121917 IOPJCNMCGWOGMM-MRXNPFEDSA-N 429.473 4.422 5 20 IIBD C[C@H](NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccncc2)cc1 506822766 RSVXGVRABKETKR-HOTGVXAUSA-N 433.468 4.364 5 20 IIBD CC(C)Cc1nnc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)s1 507266302 UITZOCXPOYPZOV-ZDUSSCGKSA-N 426.502 4.465 5 20 IIBD Cc1ccc(NC(=O)COc2ccc(CCNC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)cc1 508339836 PGHQZXGGYAAVRZ-UHFFFAOYSA-N 447.491 4.202 5 20 IIBD O=C(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)N(Cc1ccc(F)cc1)C1CCCCC1 508510735 LXGZRWSVNYQMCL-UHFFFAOYSA-N 437.475 4.354 5 20 IIBD COc1ccc(CN(CC2CCC2)C(=O)NCCc2ccc([N+](=O)[O-])cc2)c(OC)c1 512136430 AENWVBLUPXBFQM-UHFFFAOYSA-N 427.501 4.166 5 20 IIBD COc1ccc(S(=O)(=O)N(C)C)cc1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 512586971 MPSQXTBYYXNNOI-UHFFFAOYSA-N 447.538 4.194 5 20 IIBD CCc1nnc(NC(=O)[C@H](C)[C@H](C)NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)s1 513090950 XJPYFEWNEZTVPB-OLZOCXBDSA-N 429.502 4.022 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@H](COc2ccccc2Cl)C1 513881147 KSQFNUAHIPJCQH-INIZCTEOSA-N 440.887 4.365 5 20 IIBD CC1CCN(c2ccc(C(=O)N(Cc3ccco3)C3CCN(C)CC3)cc2[N+](=O)[O-])CC1 514525685 YKYQHOAYEPTKIK-UHFFFAOYSA-N 440.544 4.161 5 20 IIBD CCOc1ccc(NC(=O)c2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)cc2)cc1 516021854 AXHZRKISIJXQFQ-UHFFFAOYSA-N 438.415 4.219 5 20 IIBD CCOc1ccc(Oc2cc(CNC(=O)NCCc3ccc([N+](=O)[O-])cc3)ccn2)cc1 516165171 RFOFIVCQDNOISL-UHFFFAOYSA-N 436.468 4.223 5 20 IIBD O=C(CNc1ccccc1[N+](=O)[O-])NCc1cn(Cc2ccccc2)nc1-c1ccccc1 517894449 BYGLULLGBOKJEE-UHFFFAOYSA-N 441.491 4.235 5 20 IIBD Cc1ccc(C(=O)C2CCN(C(=O)c3cc(O)nc4ccc([N+](=O)[O-])cc34)CC2)c(C)c1 518967568 UNTPWMHDMOQURN-UHFFFAOYSA-N 433.464 4.201 5 20 IIBD COc1ccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1OCc1ccncc1 520020466 GWHYOXJQFKDYFD-UHFFFAOYSA-N 445.435 4.015 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 520563572 GAUXFFNTKKZJIA-HNNXBMFYSA-N 435.484 4.437 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 520831731 VNZZYXCGBAWUCJ-UHFFFAOYSA-N 431.427 4.330 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)Nc2cccc(F)c2F)cc1[N+](=O)[O-] 520847263 HWSBNUSSTBHFDU-UHFFFAOYSA-N 425.391 4.422 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2nc3cc(Cl)ccc3s2)c1 520925026 JUHRGFGELVFDCT-UHFFFAOYSA-N 448.707 4.421 5 20 IIBD O=C(Nc1c(N2CCCC2)cccc1N1CCCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 524343940 HJSWKQZMTSXOCA-UHFFFAOYSA-N 446.511 4.233 5 20 IIBD COc1ccc(-c2cc(C(=O)N3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)sc2C)cc1 524578303 LJFRDHYLAMLXHR-MRXNPFEDSA-N 438.509 4.362 5 20 IIBD CC(C)(C)Cc1nc(-c2cccc(C(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)c2)no1 525045230 VKPSVEWLBNAMPT-UHFFFAOYSA-N 449.511 4.196 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)[C@H](c1ccncc1)c1ccc(Cl)cc1 531141797 LFVSZQDPMGYRHN-IBGZPJMESA-N 431.901 4.362 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 531266205 LECUCLSHENJFQE-IBGZPJMESA-N 449.429 4.026 5 20 IIBD CCC(C)(C)OCc1cccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1C 531423618 PNLZZLNZFVVDIW-UHFFFAOYSA-N 441.532 4.358 5 20 IIBD NC(=O)c1ccc(SCC(=O)N(Cc2ccccc2F)C2CCCCC2)c([N+](=O)[O-])c1 532504634 PJUBWTPQTVRJHS-UHFFFAOYSA-N 445.516 4.286 5 20 IIBD CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H](c1ccc(C)cc1)n1cncn1 533754807 LFXLYAURYZWBPC-RTBURBONSA-N 447.417 4.312 5 20 IIBD Cc1ccc(NC(=O)C(=O)NCc2ccc(-c3ccc4c(c3)C[C@@H](C)O4)cc2)cc1[N+](=O)[O-] 533838957 OZFDAEBFEVLCPO-MRXNPFEDSA-N 445.475 4.149 5 20 IIBD Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 535198082 VONSVNJWTJJOQU-GFCCVEGCSA-N 438.937 4.086 5 20 IIBD Cc1cc(NC(=O)COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n(-c2ccc(F)cc2)n1 535665471 IHVRNLYRPUXDHE-UHFFFAOYSA-N 438.337 4.264 5 20 IIBD COC(=O)CCSc1cccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 535935409 HAUYWYPBTDBLQX-UHFFFAOYSA-N 439.287 4.265 5 20 IIBD Cc1c(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)cnn1-c1cccc(C(F)(F)F)c1 536253239 MQRPRAZGZYSANR-UHFFFAOYSA-N 430.346 4.236 5 20 IIBD CC(C)CN(C(=O)CCOC[C@H]1CCCO1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 537152577 FGCFQVDXWSLEOT-MRXNPFEDSA-N 433.530 4.293 5 20 IIBD COc1cc(C(=O)Nc2cccc(CCN(C)C3CC3)c2)c([N+](=O)[O-])cc1OC(F)F 538233338 QNDRLNANRTXTBY-UHFFFAOYSA-N 435.427 4.094 5 20 IIBD C[C@@H](C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1ccc([N+](=O)[O-])cc1F 542532902 MJEIHVHZYWBMFO-QGHHPUGFSA-N 440.258 4.066 5 20 IIBD COc1ccccc1C(=O)Nc1ccc(Oc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 543031056 XNZZJYWTGKNZKI-UHFFFAOYSA-N 448.478 4.113 5 20 IIBD Cc1cc(N2CCCN(C(=O)c3ccccc3F)CC2)c([N+](=O)[O-])cc1C(F)(F)F 549466162 WJCVNTDSTVABPV-UHFFFAOYSA-N 425.382 4.414 5 20 IIBD CC(C)c1[nH]nc(C(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)O[C@H](C)C2)c1[N+](=O)[O-] 553380721 KMFLAVLNTVEOMO-BXUZGUMPSA-N 426.395 4.062 5 20 IIBD CCOCc1nc([C@@H](C)NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)no1 554985350 MKLAAMLEZUWOND-CYBMUJFWSA-N 427.417 4.189 5 20 IIBD CN(Cc1cc2ccccc2o1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 559171935 KIMRZFYXERGKOW-MRXNPFEDSA-N 433.468 4.272 5 20 IIBD COc1ccc(Cc2nc(CC(=O)Nc3cc(Cl)cc(Cl)c3)no2)cc1[N+](=O)[O-] 564037355 YHNJXUSVJKCLNA-UHFFFAOYSA-N 437.239 4.065 5 20 IIBD O=C(NCCc1nc(C2(c3c(F)cccc3F)CCCC2)no1)c1ccc([N+](=O)[O-])cc1 565918030 USHRSJJCBYSYCX-UHFFFAOYSA-N 442.422 4.089 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@H](c3ccccc3)C[C@H]2OC)cc1OC 569269892 ZKJNHLDLFOKPGG-ILZDJORESA-N 428.485 4.083 5 20 IIBD CCSc1nnc(SCc2cc(I)cc([N+](=O)[O-])c2)s1 573489162 LPOAYJRVGHQDLD-UHFFFAOYSA-N 439.325 4.455 5 20 IIBD O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@](F)(c2cc(F)cc(F)c2)C1 580496713 DOMOCDSOWXDLRD-OAQYLSRUSA-N 432.402 4.177 5 20 IIBD O=[N+]([O-])c1cccc(OC[C@H](O)CNC[C@H](c2ccccc2)c2c[nH]c3ccccc23)c1 583708579 HEYZEOWLFIYZNE-NFBKMPQASA-N 431.492 4.238 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc(-c4nc[nH]n4)cc3F)cc2[N+](=O)[O-])C1 584748211 UJHLYXPOGOQKHB-KBPBESRZSA-N 438.463 4.254 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@H](Oc2cncc(Br)c2)C1 590390185 NGYCCKCPXSSZEA-AWEZNQCLSA-N 448.298 4.261 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 592674863 ZQVFOOVLKFHYRN-UHFFFAOYSA-N 437.525 4.460 5 20 IIBD CC(C)C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCOCC1 593235820 VTAKQILQDNEFOU-LJQANCHMSA-N 443.569 4.223 5 20 IIBD COc1ccc(CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)cc1[N+](=O)[O-] 603722887 VISJWCKGHNRNHN-CQSZACIVSA-N 432.527 4.395 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCc2cccc(NC(C)=O)c2)c([N+](=O)[O-])c1 603856272 IMXMYTDXXZAABV-UHFFFAOYSA-N 447.447 4.183 5 20 IIBD COc1ccc(C(=O)NCC(=O)Nc2ccc(Oc3cc(C)cc(C)c3)cc2)cc1[N+](=O)[O-] 604189890 UQWJOFAMOLTEDN-UHFFFAOYSA-N 449.463 4.381 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H](C)c2ccc3nc(O)[nH]c3c2)cc1 604244133 ZKNLCQWVDFKBGY-CYBMUJFWSA-N 448.435 4.469 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCCc1cc(-c2ccc(F)cc2)no1 608784485 ANPXEXFIUXZAAM-UHFFFAOYSA-N 428.420 4.494 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)c1 608866493 SEJDSPBAUARXNQ-INIZCTEOSA-N 442.541 4.299 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCC1(c2ccc(Cl)cc2)CCC1 608881901 MAFVLITYLZAXGF-UHFFFAOYSA-N 443.887 4.174 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CCC[C@@H](c3ccccc3)CC2)ccc1[N+](=O)[O-] 608968192 OSYMRMKFTJLPGL-OFNKIYASSA-N 435.524 4.304 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@@H](c3nc(C4CC4)no3)C(C)C)cc2[N+](=O)[O-])CC1 609022447 MWLZCTFUDZUUCB-LJQANCHMSA-N 427.505 4.219 5 20 IIBD CCOCCCn1c(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)nc2ccccc21 609063123 ZEZWPEYHYFOLOZ-HNNXBMFYSA-N 428.514 4.490 5 20 IIBD NC(=O)c1ccc(NCc2ccc(OCCOc3ccc(Cl)cc3)cc2)c([N+](=O)[O-])c1 609112098 UGQBGZCYUMVYES-UHFFFAOYSA-N 441.871 4.417 5 20 IIBD C[C@@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(OCc2cccnc2)cc1 609467540 CMPMICYBUSKRQX-QGZVFWFLSA-N 436.468 4.008 5 20 IIBD NC(=O)C1(c2ccccc2)CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 609665431 OFBRVIIDJUIRRK-UHFFFAOYSA-N 445.475 4.046 5 20 IIBD COc1ccc(OC)c(S(=O)(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1 609761135 FTIMUAJACZXTGX-UHFFFAOYSA-N 430.438 4.205 5 20 IIBD Cc1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1OCCC(C)C 610097767 QPGSMOMMWHIIPV-UHFFFAOYSA-N 427.505 4.077 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1OCc1nnc(-c2ccc(Br)o2)o1 610270577 PYHZHRSCURHOMZ-UHFFFAOYSA-N 445.023 4.342 5 20 IIBD CCCN(Cc1ccccc1F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 610956261 UEWQUTHYWIQFEP-UHFFFAOYSA-N 431.283 4.097 5 20 IIBD CCCOc1cc(NC(=O)N2CCC([C@H]3CCOC3)CC2)c([N+](=O)[O-])cc1OCCC 612294961 IDMPQARUBVCISM-KRWDZBQOSA-N 435.521 4.453 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Oc3cccnc3)cc2)no1 612917944 ZLMKXIWUBORXGW-CQSZACIVSA-N 431.408 4.323 5 20 IIBD COc1cc(CN2CCN([C@@H](C)c3nc4ccccc4s3)CC2)c([N+](=O)[O-])cc1F 613286184 YDBMLPJQSJIFFS-AWEZNQCLSA-N 430.505 4.231 5 20 IIBD CN(CCOC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)c1ccc([N+](=O)[O-])cc1 726329326 QXTJOTJIXMGORL-UHFFFAOYSA-N 445.560 4.220 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(Cn3cnc4cc(F)c(F)cc43)CC2)c(C(F)(F)F)c1 727429132 TTXUEAOLLSNBAH-UHFFFAOYSA-N 441.360 4.021 5 20 IIBD CON(C)C(=O)c1ccc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 729249537 FEOIHYSKYVUIDZ-HNNXBMFYSA-N 449.467 4.049 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@@H](O)c1cccc(C(F)(F)F)c1 730834529 ONUFXYXCXHZKKA-OAQYLSRUSA-N 440.421 4.023 5 20 IIBD C[C@H](OC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 731528028 SISLBAJDKAYAOY-ZJUUUORDSA-N 429.231 4.463 5 20 IIBD COC(=O)c1sc(-c2ccccc2)cc1OS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] 731673812 PRPGBJPNVULGEX-UHFFFAOYSA-N 433.463 4.186 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NC[C@@H](O)c3ccc4ccccc4c3)cc2)c(C)c1[N+](=O)[O-] 731829152 FLHXDEVHICSRCX-HSZRJFAPSA-N 444.491 4.073 5 20 IIBD CN(Cc1ccccc1Br)C(=O)CCNc1nc2ccc([N+](=O)[O-])cc2s1 732049516 POYGMBAYTCSXDZ-UHFFFAOYSA-N 449.330 4.428 5 20 IIBD COC(=O)NCc1ccc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1 735276037 JYEMJUXHJYGIIW-UHFFFAOYSA-N 434.452 4.315 5 20 IIBD O=C(COc1cccc(Br)c1)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 735444586 YLIPVXQGFUOAJZ-UHFFFAOYSA-N 433.214 4.135 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@@H](c2ccccc2Br)C1 735468733 QDQYLKINANKHGB-QGZVFWFLSA-N 439.693 4.153 5 20 IIBD COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F 735996494 GZMPKTWEURTMTA-QGZVFWFLSA-N 437.399 4.086 5 20 IIBD CN1C(=O)C[C@@H](COC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@H]1c1cccc(Cl)c1 737382964 UZAZQYHEIOSJSN-RNODOKPDSA-N 427.844 4.106 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1ccccc1CC(F)(F)F 742031456 SRTZOCHAVIQPHY-UHFFFAOYSA-N 439.209 4.263 5 20 IIBD COc1cccc(Oc2ccc(CNc3ccc([N+](=O)[O-])cc3N3CCOC3=O)cn2)c1 742393736 SRLAWIARZNNCBE-UHFFFAOYSA-N 436.424 4.359 5 20 IIBD COc1ccc(OCCOC(=O)c2sc(NC(=O)c3ccco3)cc2C)c([N+](=O)[O-])c1 744635286 NTBFUXLPPCYFSC-UHFFFAOYSA-N 446.437 4.054 5 20 IIBD O=C(COC(=O)[C@H]1C[C@H]1c1cccc(F)c1F)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 745240574 JCTWIZSHAMGZMJ-RYUDHWBXSA-N 444.312 4.177 5 20 IIBD Cc1ccc(F)c(N2CCC[C@@H](OC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)c1 745567537 BPTVJXNWSMWZGE-QGZVFWFLSA-N 440.349 4.414 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(F)cc1 745567764 SGZUNGISOYKINH-WDEREUQCSA-N 428.338 4.175 5 20 IIBD COC(=O)c1ccc([C@@H](OC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C(F)(F)F)cc1 747211701 CMOACMVYRGGCLS-QGZVFWFLSA-N 449.341 4.028 5 20 IIBD CC(=O)Nc1cccc([C@H](C)NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)c1 750843078 IWUYHSUXBXLDQC-VIFPVBQESA-N 440.681 4.460 5 20 IIBD C[C@H](OC(=O)CCn1cc([N+](=O)[O-])cn1)c1ncc(-c2ccc(Cl)cc2Cl)o1 753353149 LEECGJAIBKBZTB-JTQLQIEISA-N 425.228 4.448 5 20 IIBD Cc1c(C(=O)N2CC(Cc3ccc(C(F)(F)F)cc3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 754411141 LCRADKXAOSMSLB-UHFFFAOYSA-N 437.374 4.453 5 20 IIBD Cc1cc(F)cc(C(=O)OCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1[N+](=O)[O-] 754833034 QXEGDMNDNBUXRJ-UHFFFAOYSA-N 433.392 4.100 5 20 IIBD O=C(OCC(=O)N(Cc1ccco1)c1ccccc1)c1cc([N+](=O)[O-])cc(Cl)c1F 754985014 CSTVXLZIUVSOFS-UHFFFAOYSA-N 432.791 4.371 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)Nc1cccc(Br)c1 754991003 VBRJZXPMOYZMMK-MRVPVSSYSA-N 445.628 4.334 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N(CCCO)[C@H]1CCc2ccccc21 755031252 ULGFYMPLQDNTDW-KRWDZBQOSA-N 434.290 4.261 5 20 IIBD O=C(COC(=O)c1c(F)cc(Br)cc1F)Nc1ccc(Cl)cc1[N+](=O)[O-] 756598222 GMVUGOCRIDKSCI-UHFFFAOYSA-N 449.591 4.084 5 20 IIBD C[C@@H](OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1nnc(-c2ccc(Cl)cc2Cl)o1 758008899 ATUTZWXJDQPIDX-SECBINFHSA-N 440.243 4.188 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)OC[C@H]1CC12CCOCC2 758018973 DWXAPMFWDJLQRO-HXUWFJFHSA-N 447.491 4.350 5 20 IIBD CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cccc([N+](=O)[O-])c1Br 758334382 IJSCYUZUXMLMTE-GFCCVEGCSA-N 444.326 4.027 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2cc(Br)c(F)cc2F)cccc1[N+](=O)[O-] 759024794 CSGLUFGQOXDQLT-VIFPVBQESA-N 443.200 4.128 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@H](C)C[C@H](O)c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 759088116 OOICNGHBWRCDKB-DGGJZMOXSA-N 434.496 4.405 5 20 IIBD C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@H](c2ccsc2)O1 759967167 VLLKBJPFVMHWEC-LKFCYVNXSA-N 429.267 4.160 5 20 IIBD COc1ccc(Br)c(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1 760556995 RPWCDFQEAWEIBQ-UHFFFAOYSA-N 448.317 4.238 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 761451241 JZIPGOMNNACYNK-SFHVURJKSA-N 445.262 4.141 5 20 IIBD CC(=O)Nc1cccc(NC(=O)[C@H](OC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C(C)C)c1 763720056 NQHLMEBLZDQXDV-GOSISDBHSA-N 433.848 4.027 5 20 IIBD O=C(COC(=O)c1ccc(Br)c(Cl)c1)Nc1cc([N+](=O)[O-])ccc1Cl 764098161 BUYGQINWLFEZCG-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCN(CC3CCCCC3)CC2)c1=S 764924776 LZVVZVNEAWXTAW-UHFFFAOYSA-N 444.605 4.165 5 20 IIBD Cc1nn(CN2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c2ccc([N+](=O)[O-])cc12 765013567 OHUFUJGWMGRGNR-UHFFFAOYSA-N 445.882 4.354 5 20 IIBD C[C@@H]1CN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC[C@H]1NC(=O)OC(C)(C)C 765036900 WQOKOEQYJKANJT-SJLPKXTDSA-N 442.516 4.308 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 765544827 HGSVUZFETXIWCM-PZJWPPBQSA-N 436.512 4.042 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2nnc(CC(F)(F)F)s2)CC1 766788636 JCMWBYGBLKDXDI-UHFFFAOYSA-N 429.424 4.040 5 20 IIBD CCCc1csc(NC(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)n1 768016032 NLMPDFHWQPKHLH-UHFFFAOYSA-N 447.494 4.024 5 20 IIBD CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)Cc1nnc2ccccn12 769202872 KUCPJICZAFJAAY-UHFFFAOYSA-N 442.273 4.292 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3cncc(OC(C)C)c3)CC2)ccc1[N+](=O)[O-] 770136647 ATTSXTVNTVQOPE-UHFFFAOYSA-N 429.473 4.002 5 20 IIBD COC(=O)c1cccc(NC2CCN(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC2)c1 770206074 CSJTXAGGBCROGV-UHFFFAOYSA-N 432.864 4.143 5 20 IIBD O=C(N[C@@H](c1ccccc1)C1CCOCC1)c1sc(Br)cc1[N+](=O)[O-] 772281461 CSEYDTCWPQWSCU-HNNXBMFYSA-N 425.304 4.317 5 20 IIBD CSc1cccc(C(=O)NS(=O)(=O)c2ccc(-c3ccccc3)cc2)c1[N+](=O)[O-] 777313178 FWHVMLUYSSFDNS-UHFFFAOYSA-N 428.491 4.102 5 20 IIBD O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781674636 OBONYCNBNUFJEI-MRXNPFEDSA-N 443.765 4.321 5 20 IIBD COc1ccc(-c2noc([C@H](C)OC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 783204864 UIRLNIRXZLYASB-RYUDHWBXSA-N 447.831 4.379 5 20 IIBD Cc1nnc([C@H](C)OC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)s1 783725965 NKOMVLLHQYOQNK-ZETCQYMHSA-N 428.257 4.165 5 20 IIBD Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 786516604 BZBNHVHTEANDJU-UHFFFAOYSA-N 446.920 4.064 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)c1F 788287980 LVNQEPKDAZLZSP-UHFFFAOYSA-N 425.391 4.364 5 20 IIBD O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)c1cccc(Cl)c1[N+](=O)[O-] 789717422 UZOCMHTULTYIOI-CQSZACIVSA-N 442.686 4.480 5 20 IIBD COc1ccc(C2(C(=O)OCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CCCC2)cc1OC 792112472 YLLUVVUKFWQUIJ-UHFFFAOYSA-N 430.413 4.075 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(CC[C@H](O)c2ccccc2)c1 794860496 JNLDAHWARFRZII-FQEVSTJZSA-N 442.493 4.070 5 20 IIBD Cc1ccc(NC(=O)C(C)C)cc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F 795298458 YNZUGGJFIGFOAA-UHFFFAOYSA-N 429.857 4.091 5 20 IIBD Cc1nc2ccccc2n1C1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)CC1 795622327 IOUWJDHLKYKODZ-UHFFFAOYSA-N 443.301 4.493 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2CC[C@@H](c3ccccn3)C2)c([N+](=O)[O-])c1 798415778 KYEQTTBYDDGELJ-QGZVFWFLSA-N 431.448 4.001 5 20 IIBD CC(C)N(C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(CC(=O)N(C)C)cc1 799447162 PCMGQSHDOBEWAN-OAHLLOKOSA-N 447.919 4.088 5 20 IIBD Cc1sc(Br)c(C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1C 799544029 AGQWLZZGFPGTDX-UHFFFAOYSA-N 438.259 4.443 5 20 IIBD COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 804323464 SVMXSNDQHSLQOR-KXBFYZLASA-N 427.457 4.444 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(Cl)c(SC(=O)N(C)C)c2)c1 808117682 YGGPRPASUHCUGB-UHFFFAOYSA-N 443.934 4.440 5 20 IIBD O=C1CCCN1Cc1ccc(-c2noc(-c3cc([N+](=O)[O-])ccc3N3CCCCC3)n2)cc1 809408096 YKVITAORUAKYDF-UHFFFAOYSA-N 447.495 4.425 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)C1 809433013 BMHLYPKASOFRAJ-ZHRRBRCNSA-N 439.472 4.164 5 20 IIBD CC[C@H](NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1nc(C(F)(F)F)cs1 809823080 XTLMVYKNRGAYHK-QMMMGPOBSA-N 447.819 4.292 5 20 IIBD COc1cc(COC(=O)c2cnnc(-c3ccccc3)c2)c([N+](=O)[O-])cc1OCC(F)F 811287766 DSSSLLIREUZHAK-UHFFFAOYSA-N 445.378 4.061 5 20 IIBD O=C(NC[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2OC(F)F)C1)Nc1cccc(F)c1 811802594 DXXXIKOVBORGEG-ZDUSSCGKSA-N 438.406 4.373 5 20 IIBD CON(C)C(=O)C1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 812778453 GMVLSNUIIQOTTB-UHFFFAOYSA-N 433.892 4.272 5 20 IIBD CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 813062870 JNCDGAPJEKCQAS-SNVBAGLBSA-N 446.312 4.231 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 813153035 OIRVYQDASCXHIU-QWRGUYRKSA-N 432.304 4.277 5 20 IIBD COc1cc(C(=O)N2CCC[C@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)ccc1[N+](=O)[O-] 814427127 CPHQNASBGQXHKZ-ZWKOTPCHSA-N 447.532 4.103 5 20 IIBD O=C(c1ccccc1[N+](=O)[O-])N1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 819211642 CVAVCCWKMNKOKR-UHFFFAOYSA-N 429.885 4.061 5 20 IIBD COc1ccc(OCC(=O)c2cc(C)n(Cc3ccc4c(c3)OCO4)c2C)c([N+](=O)[O-])c1 848943835 JHBNCSLINVJRRW-UHFFFAOYSA-N 438.436 4.060 5 20 IIBD C[C@H](OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(=O)Nc1cccc2ccccc12 849194161 CWDMSCFGFYQMEJ-HNNXBMFYSA-N 430.420 4.118 5 20 IIBD COc1ccc(-c2nc(COC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)cs2)cc1 849195739 ZONCHTCBKCTQOF-UHFFFAOYSA-N 436.449 4.270 5 20 IIBD CCOc1ccc(N2C(=O)/C(=C/Nc3cc([N+](=O)[O-])ccc3O)c3ccccc3C2=O)cc1 912744684 GQIZGAAWHCBKJL-XSFVSMFZSA-N 445.431 4.339 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)O[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)c1 915442244 HFNMKYJBQNDYOP-CYBMUJFWSA-N 440.374 4.261 5 20 IIBD CCN(C(=O)COc1cc([N+](=O)[O-])c(C=O)cc1OC)C(c1ccccc1)c1ccccc1 915663802 RXUOBOSPIBMMJA-UHFFFAOYSA-N 448.475 4.433 5 20 IIBD COc1ccc(Cl)cc1NC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc([N+](=O)[O-])cc1 916170353 NUWSEPXBMAMPEA-SFHVURJKSA-N 446.916 4.031 5 20 IIBD C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)[C@@H](C)CO1 918587916 LCINDOQREUYVSA-OALUTQOASA-N 437.540 4.303 5 20 IIBD COc1cccc(CN2CCC(NC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC2)c1 918654041 WFHGMNWMPBMCIV-UHFFFAOYSA-N 425.529 4.295 5 20 IIBD O=C(NCc1cccc(NC(=O)C2CCCC2)c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 918662330 RSROCHCSDMNSKK-UHFFFAOYSA-N 436.512 4.254 5 20 IIBD CC(C)n1ncc2c(C(=O)OCc3nc(-c4ccc([N+](=O)[O-])cc4)no3)cc(C3CC3)nc21 918992820 NXFIFQGOFCRQPH-UHFFFAOYSA-N 448.439 4.205 5 20 IIBD COc1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c([N+](=O)[O-])cc1OC(F)F 919926808 YSWBSRLIADVZRS-UHFFFAOYSA-N 439.371 4.164 5 20 IIBD O=C1Nc2ccccc2[C@@H]1C1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 1116545023 CAJRJWSTDRABTQ-FQEVSTJZSA-N 445.928 4.315 5 20 IIBD CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NC)CC1 1319113006 PPSXHJMJIVXOQS-HXUWFJFHSA-N 439.512 4.226 5 20 IIBD COc1cc(-c2nnc(-c3ccc(Br)cc3[N+](=O)[O-])o2)cc(OC)c1OC 1326068656 MGWRHGDZPMTUNL-UHFFFAOYSA-N 436.218 4.100 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1334110777 NXIXDMCHLJEMCK-GFCCVEGCSA-N 429.274 4.253 5 20 IIBD COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CCC2)cc1 1785748430 MSNFJJPYIYCTCS-UHFFFAOYSA-N 449.463 4.187 5 20 IIBD CC(C)c1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CCC2)n[nH]1 1785750119 SKVGPLQPSBDANX-UHFFFAOYSA-N 437.456 4.096 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccccc1C1CC1 1800525773 NBDJVWWNIHAFHH-REPLKXPHSA-N 437.471 4.177 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc(Cl)c1)c1cccc(F)c1[N+](=O)[O-] 1803671958 OQTOUOLZIKOTTP-MUJYYYPQSA-N 449.841 4.092 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCCC2(CCN(C(=O)[C@@H]3CC=CCC3)CC2)C1 1806486619 QOCMVLHGTYKOSF-OAQYLSRUSA-N 439.556 4.115 5 20 IIBD CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCc2cc(C)c(F)cc2[N+](=O)[O-])n[nH]1 1815071422 QXBDMCNYHWSEOW-GOSISDBHSA-N 445.495 4.190 5 20 IIBD C[C@@H]1CCC[C@H]1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)[nH]n1 1818959062 NCCMEEUNJWXNLM-XVSDVWIESA-N 443.479 4.199 5 20 IIBD CC(C)=CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)[nH]n1 1820800884 WVPZQNWKARJISR-SXAWMYDMSA-N 441.488 4.363 5 20 IIBD O=C(c1ccc(F)cc1F)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823615033 LGVJZYDEBXKLFL-GOSISDBHSA-N 447.438 4.013 5 20 IIBD C[C@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Br)cc1 10665031 LZZFRJZQBOXBIY-JTQLQIEISA-N 441.665 4.045 5 20 IIBD COc1ccc(Nc2nnc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)s2)cc1 10786649 BZINYVRPBDRADL-NSHDSACASA-N 431.499 4.318 5 20 IIBD COc1ccc(Cc2nnc(S[C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)o2)cc1 17740593 SQZFAVRNQADSAS-LBPRGKRZSA-N 439.453 4.481 5 20 IIBD Cc1ccc(-c2cc(NC(=O)COC(=O)c3ccc([N+](=O)[O-])o3)n(-c3ccccc3)n2)cc1 20816641 XKXLRMORLKXWAV-UHFFFAOYSA-N 446.419 4.144 5 20 IIBD O=C(Nc1ccccc1C(=O)Nn1cnc2ccccc21)c1ccc([N+](=O)[O-])cc1Cl 25668006 ZKVQMGPANSZVFV-UHFFFAOYSA-N 435.827 4.234 5 20 IIBD CCn1c(Cc2ccccc2)nnc1SCCC(=O)Nc1ccc([N+](=O)[O-])cc1C 26343611 MAOSVVRIQSIMGQ-UHFFFAOYSA-N 425.514 4.226 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2cccc(OCc3cscn3)c2)cccc1[N+](=O)[O-] 28286307 RIHBYUQAGVBICY-AWEZNQCLSA-N 441.465 4.123 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1 28423762 JDBYTPMJIHMAQQ-QHCPKHFHSA-N 436.439 4.447 5 20 IIBD Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)nnc1-c1ccccc1 28811495 GOFANMSSMOSJCT-UHFFFAOYSA-N 437.403 4.140 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](NCCOCC(F)(F)F)c1ccccc1 30006460 FVXWQQWAUBKABN-MRXNPFEDSA-N 431.798 4.097 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 32589776 ZKZCDVPKUKPLGA-UHFFFAOYSA-N 426.454 4.348 5 20 IIBD COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1NC(=O)c1cccc(F)c1 46844358 SQQYDRGSCMETMJ-UHFFFAOYSA-N 439.399 4.256 5 20 IIBD O=C(NCCCOc1ccc(Cl)cc1Cl)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 63261529 AHEGUUZKFCFHGN-UHFFFAOYSA-N 435.267 4.286 5 20 IIBD CCOc1cc(NC(=O)NC2CCN(CC3CCCC3)CC2)c([N+](=O)[O-])cc1OCC 63390001 TWXZOTTVDVIZGJ-UHFFFAOYSA-N 434.537 4.168 5 20 IIBD CC(C)N(CC(=O)N[C@H](C)c1ccc(Br)cc1)Cc1ccc([N+](=O)[O-])cc1 64350335 FDNOGXQAKRXQSX-OAHLLOKOSA-N 434.334 4.445 5 20 IIBD COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 64918469 HKAHNZWPGBAGSW-UHFFFAOYSA-N 445.884 4.187 5 20 IIBD CCc1ncc(C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)s1 65065998 FIKLQDZFQJHOHS-UHFFFAOYSA-N 442.566 4.300 5 20 IIBD CCN(CC)c1ccc(-c2nnc(SCCOc3ccccc3[N+](=O)[O-])n2C)cc1 71961151 ZVQXTNSUXYAHMH-UHFFFAOYSA-N 427.530 4.408 5 20 IIBD COc1ccc(OC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)c([N+](=O)[O-])c1 105114926 NEYGEXQGOLRRCL-UHFFFAOYSA-N 439.420 4.419 5 20 IIBD COc1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1OC(F)F 110112846 CITAYRFWKPQPIW-UHFFFAOYSA-N 449.454 4.168 5 20 IIBD C[C@@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 301067321 DHBXVJBRASQMQU-CQSZACIVSA-N 433.468 4.081 5 20 IIBD CC(C)(CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1Br 301933462 NJWOZBQNRKGMFF-UHFFFAOYSA-N 433.349 4.212 5 20 IIBD CC(C)(C)c1nc(CN2CCCN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)CC2)no1 302279514 JVCCDQINPIVSNV-UHFFFAOYSA-N 428.320 4.294 5 20 IIBD C[C@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)Sc1ccc(Br)cc1 303407901 QLCQXTKXDULDRN-GFCCVEGCSA-N 425.304 4.033 5 20 IIBD C[C@H](NC(=O)c1cc(Cl)ccc1I)c1cccc([N+](=O)[O-])c1 318547072 XDHDKPTWBVFSKD-VIFPVBQESA-N 430.629 4.344 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NC(C)(C)COCc3ccccc3)cc2)c(C)c1[N+](=O)[O-] 409898397 QRTAOLGAANYNRN-UHFFFAOYSA-N 436.512 4.182 5 20 IIBD COc1ccc(-c2nc(C)c(C(=O)Nc3ccc4cc([N+](=O)[O-])ccc4n3)s2)c(F)c1 409969421 ZDAJNJSMQGXHJH-UHFFFAOYSA-N 438.440 4.975 5 20 IIBD CC(=O)Nc1ccc(Cl)c(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 410224014 MOZMYCRXJYJFJU-UHFFFAOYSA-N 444.797 4.067 5 20 IIBD COCCN(Cc1cc(Br)cs1)C(=O)CSc1ccccc1[N+](=O)[O-] 427740784 LAUXAVGWKPCEBN-UHFFFAOYSA-N 445.360 4.186 5 20 IIBD CCN(C[C@H](O)C(F)(F)F)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 428500226 QKUMQRBEUYQVST-KRWDZBQOSA-N 445.825 4.246 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 428555822 ZTSGUJXANZXCFB-LJQANCHMSA-N 429.542 4.306 5 20 IIBD COc1ccc(NC(=O)c2ccc(N[C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)cc2)cc1 433733846 SNJFZWXIOMXANE-QFIPXVFZSA-N 446.463 4.073 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(Sc3ccncc3)cc2)cc1[N+](=O)[O-] 435837848 UVJPRNWOPTTYSD-OAHLLOKOSA-N 436.493 4.265 5 20 IIBD COc1ccc(CCCNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1OC 436309371 OSRWQYGGNLDWRQ-UHFFFAOYSA-N 434.467 4.200 5 20 IIBD Nc1c(C(=O)NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc(F)cc1[N+](=O)[O-] 437026587 WDEZPLCJRFFANO-UHFFFAOYSA-N 440.378 4.388 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)Nc2cccc(COC(C)C)c2)cc1[N+](=O)[O-] 438806292 AYGXIJSUGIVMNS-UHFFFAOYSA-N 443.319 4.392 5 20 IIBD O=C(N1CCCC1)N1CCC[C@@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)C1 440593544 FUGOSGLBHWHAAW-HXUWFJFHSA-N 436.512 4.056 5 20 IIBD CCCN(C(=O)[C@H]1CCCN(c2ncnc3sccc23)C1)c1cccc([N+](=O)[O-])c1 441448386 GIRBFTDLUQALTI-HNNXBMFYSA-N 425.514 4.259 5 20 IIBD Cc1cc(N2CCNC2=O)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 441500250 BBPBQLCNILTECX-UHFFFAOYSA-N 432.436 4.477 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(Cc1csc(Br)c1)C1CC1 443737157 MSLLIRWYWBOXIU-UHFFFAOYSA-N 431.333 4.081 5 20 IIBD O=C(Nc1ccccc1I)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 443849119 JLDPUINPKLCZHT-UHFFFAOYSA-N 436.127 4.471 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N1CCC(OCc2ccccc2)CC1 444824474 HJEBNQYRLAWQLS-UHFFFAOYSA-N 425.304 4.240 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2cnc(OCC(F)(F)F)cn2)no1 445798703 JRHVYPXGBACHMM-SECBINFHSA-N 427.364 4.229 5 20 IIBD C[C@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[C@H](OC1CCOCC1)c1ccccc1 446881038 MBIIEFPWEODJHL-WNSKOXEYSA-N 425.485 4.217 5 20 IIBD Cc1nc(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])oc1-c1ccc(Cl)cc1 447651819 BIBLECXTEHWBHG-UHFFFAOYSA-N 442.280 4.344 5 20 IIBD CC(C)Cn1c(COc2ccccc2F)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 460750976 GYPVAVRTTFHELG-UHFFFAOYSA-N 425.464 4.123 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCCc1c[nH]c2cccc(Br)c12 462121695 PHMNJIBIFFXAJU-UHFFFAOYSA-N 445.317 4.265 5 20 IIBD COc1ccc(S(=O)(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c(Cl)c1Cl 462357941 NUDVYWXHFPSSND-UHFFFAOYSA-N 433.313 4.211 5 20 IIBD O=C(Nc1ccc(Oc2ccc(Cl)cn2)cc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 464150694 MOMVLUIKHGWRAD-UHFFFAOYSA-N 436.815 4.269 5 20 IIBD Cc1cc(C2CC2)nc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 464593698 NFPNNJYILNXMGX-UHFFFAOYSA-N 449.433 4.445 5 20 IIBD C[C@@H](C(=O)Nc1ccccc1Br)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464780888 YAEAZQYKAKOABQ-AWEZNQCLSA-N 448.317 4.228 5 20 IIBD CCOc1cc(NC(=O)NC2(c3noc(C)n3)CCCCCC2)c([N+](=O)[O-])cc1OCC 465172689 UCFFOAFEQORPRS-UHFFFAOYSA-N 447.492 4.455 5 20 IIBD CC[C@@H]1Oc2cc([C@@H](C)NC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])ccc2NC1=O 465373579 KSMYCRPKNWEXKX-QFSBIZTOSA-N 447.875 4.002 5 20 IIBD Cc1c(NCC(C)(C)C)cccc1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 465394047 DMLIFJBTPHIEHF-UHFFFAOYSA-N 444.557 4.021 5 20 IIBD CCOc1cc(C(=O)NCc2cc3cc(Br)ccc3[nH]2)c([N+](=O)[O-])cc1OC 466328950 XFADLNWIGHHQBS-UHFFFAOYSA-N 448.273 4.176 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc2nc(N3CCOCC3)sc2c1 467098106 WELJLNAWXMOCEO-UHFFFAOYSA-N 447.904 4.016 5 20 IIBD O=C(NC[C@H]1CC(=O)N(C2CC2)C1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 468178190 NBPGHAVZEUONKQ-CYBMUJFWSA-N 445.928 4.140 5 20 IIBD COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 470381721 HYOOIJXOQJZYEQ-ZDUSSCGKSA-N 430.848 4.100 5 20 IIBD COc1ccc(CNCc2ncnn2-c2ccccc2)cc1OCc1ccc([N+](=O)[O-])cc1 475292705 HLDPGGHAAXPVNJ-UHFFFAOYSA-N 445.479 4.053 5 20 IIBD Cc1nc(-c2ccccc2NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)cs1 475839584 YSWBWTULMBLHLV-UHFFFAOYSA-N 426.479 4.376 5 20 IIBD CCc1ccc([C@@H](C)CC(=O)N2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)cc1 478095763 JUVOCBZSYLUZGZ-KRWDZBQOSA-N 435.528 4.266 5 20 IIBD CN1Cc2cc(NC(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc2NC1=O 479006453 MSWGKLXESQPIEF-UHFFFAOYSA-N 437.378 4.032 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 479562442 KTIODLVZAGDPHX-CYBMUJFWSA-N 425.411 4.375 5 20 IIBD COc1cc(C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)cc([N+](=O)[O-])c1C 479940653 MYZVZUTWKANVPN-UHFFFAOYSA-N 431.448 4.367 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H](C)C(=O)Nc2ccccc2)cc1 480175523 CRNKBHMHLOOHKC-OAHLLOKOSA-N 435.436 4.153 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)N1CCCc2ccccc21 484097288 KWNLPUIQSMLGES-UHFFFAOYSA-N 427.526 4.052 5 20 IIBD O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cc([N+](=O)[O-])ccc1OC(F)F 485041985 ATKXHSUZWDZYFB-UHFFFAOYSA-N 443.410 4.433 5 20 IIBD COc1cc(C(=O)N(Cc2c(F)cccc2F)C2CC2)c([N+](=O)[O-])cc1OC(F)F 485771004 PAKSGYKKWBBPNX-UHFFFAOYSA-N 428.338 4.288 5 20 IIBD O=C(c1csc(I)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 486155851 VQHGUBXQAQEPDJ-UHFFFAOYSA-N 428.251 4.066 5 20 IIBD Cn1cc(C(=O)N2CCn3c(cc4ccc(Cl)cc43)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 487247528 TWMWNNUQDKYIPL-UHFFFAOYSA-N 435.871 4.259 5 20 IIBD O=C(C[C@H]1C=CCC1)Nc1ccccc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 487386953 IOFHEBVBHNJWGY-INIZCTEOSA-N 431.452 4.328 5 20 IIBD Cc1ccc(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(Sc2ccccc2)n1 487710428 QRENHDCZGDUAEU-MRXNPFEDSA-N 435.509 4.171 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3Cl)o2)c([N+](=O)[O-])c1 488787561 RTIPCSUDVNFBQQ-SNVBAGLBSA-N 434.861 4.426 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cn2)cc([N+](=O)[O-])c1 488831999 XQLYQPWEXQTWBW-UHFFFAOYSA-N 434.433 4.305 5 20 IIBD COc1ccccc1-c1noc([C@H](C)NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 489483569 SNTFXTDFWXUPNQ-KGLIPLIRSA-N 425.445 4.083 5 20 IIBD O=C(N[C@H]1CSc2ccc(Br)cc21)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 489632392 QDJGUKXMMLCASG-AWEZNQCLSA-N 445.298 4.120 5 20 IIBD Cc1ccc(OCc2ccc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)o2)c(C)c1 490359045 AYRYOKXKXTZCAV-UHFFFAOYSA-N 433.424 4.421 5 20 IIBD CC(C)(C(=O)NCCc1c[nH]c2ccc(Br)cc12)c1ccccc1[N+](=O)[O-] 499194938 JANQQKFOLALPMK-UHFFFAOYSA-N 430.302 4.475 5 20 IIBD C[C@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ccc(OCC(=O)NC2CC2)cc1 501467819 PGRZJCSNQQFPLX-HNNXBMFYSA-N 439.512 4.041 5 20 IIBD Cn1c(-c2cc(Cl)ccc2Cl)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 508170265 BMRDNVRXCWNEPZ-UHFFFAOYSA-N 433.299 4.024 5 20 IIBD Cc1nn(C)c(C(=O)Nc2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)c1[N+](=O)[O-] 512195207 KZPWPGRYWWJIPU-UHFFFAOYSA-N 435.484 4.439 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]1c1cccc2c1OCCO2 523971799 ZCWXKPKOPFHXRL-MRXNPFEDSA-N 432.860 4.152 5 20 IIBD O=C(c1ccccc1)c1ccc(NC[C@H]2CC(=O)N(Cc3ccccc3)C2)c([N+](=O)[O-])c1 534630855 PPZYPMZSWOAMSK-LJQANCHMSA-N 429.476 4.286 5 20 IIBD CC[C@H](C)n1c(SCC(=O)NCCc2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1 535445692 HOTIHHJSPRJBSH-INIZCTEOSA-N 439.541 4.275 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 537558051 QUFAHQCEXIGTGW-ZMZPIMSZSA-N 442.463 4.348 5 20 IIBD COc1cc(CN2CC[C@H](C)[C@H](n3ccnc3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 537724764 KRRVPPKXDLOMDK-PGRDOPGGSA-N 436.512 4.462 5 20 IIBD CC(C)CN(C(=O)c1ccc(N(C)C)nc1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 538251648 LOOZURDERBVQBJ-UHFFFAOYSA-N 425.514 4.482 5 20 IIBD COC(=O)[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccc(OC(F)F)cc1 539347293 PKHHTEPGGYPSBP-INIZCTEOSA-N 436.392 4.055 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 541137700 PKFCSFUCYUXLMX-QGZVFWFLSA-N 428.794 4.410 5 20 IIBD CC[C@H]1C[C@H](C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)CC(=O)N1 541729796 FAVACLSOUNXUOE-KBPBESRZSA-N 449.866 4.101 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ncc(C3CCCCC3)s2)cc1OC 542000120 MKUQLBZXKVKMQC-UHFFFAOYSA-N 435.502 4.385 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 542066394 AQEANTZPMQVMCV-LJQANCHMSA-N 433.386 4.168 5 20 IIBD CC[C@H](N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1nc(C(F)(F)F)cs1 543495431 AUWISTXHAFNRKD-ONGXEEELSA-N 432.424 4.147 5 20 IIBD O=[N+]([O-])c1cnc(N[C@@H](CCO)c2ccccc2Br)c(Br)c1 543790633 VQDBAOMUQKGEIU-ZDUSSCGKSA-N 431.084 4.050 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 543924900 YKQZNJHOXOUYGE-LJQANCHMSA-N 446.385 4.013 5 20 IIBD CC(C)C[C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])N[C@@H](C)c1ccccc1 543978619 WAJGLZBOVLMHDM-GOEBONIOSA-N 425.576 4.237 5 20 IIBD O=C(NCCC[C@@H]1CCCCO1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 545452900 YMXPQXPHYUVZOI-KRWDZBQOSA-N 443.466 4.296 5 20 IIBD Cc1ccc(-c2noc(CSc3nncn3-c3cccc(Cl)c3)n2)cc1[N+](=O)[O-] 546279327 HEHORFSBPDPVSE-UHFFFAOYSA-N 428.861 4.480 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)C(=O)N(C)CCc3cccc([N+](=O)[O-])c3)cn2)cc1C 549344047 KHUZUQLITPVQHM-UHFFFAOYSA-N 448.479 4.039 5 20 IIBD CSc1ccc(C(=O)N2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)cc1[N+](=O)[O-] 553020278 UUBAAKNVABNRTH-LJQANCHMSA-N 441.553 4.060 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CC[C@@H](N4CCCC4)[C@H]3C)cc2[N+](=O)[O-])n1 553776604 ORJJTHJSFNDPEG-GDBMZVCRSA-N 432.571 4.210 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1[N+](=O)[O-] 556551528 KSADAOQGAJZRHO-UHFFFAOYSA-N 432.480 4.455 5 20 IIBD COCCC[C@@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1 557678952 AVPPCJINBGFPIX-HNNXBMFYSA-N 426.922 4.274 5 20 IIBD COC[C@@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1cccc(Cl)c1 570195560 MNNSBIYFCSXYMJ-HXUWFJFHSA-N 433.892 4.189 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1[N+](=O)[O-] 571336600 BRWQZVTZCAQKMG-MRXNPFEDSA-N 431.489 4.323 5 20 IIBD O=C(NCCC(=O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1)c1ccc([N+](=O)[O-])cc1 573153774 ZCZDWGRFEORIFD-QGZVFWFLSA-N 449.429 4.140 5 20 IIBD COCc1nc(CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c(-c2ccccc2)s1 582399087 RDEACESTVGVOFO-UHFFFAOYSA-N 438.509 4.133 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)N1CCOc2ccc([N+](=O)[O-])cc2C1 589326070 LUTPINWPTINZDG-KRWDZBQOSA-N 447.875 4.233 5 20 IIBD Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N(C)Cc1ccccc1[N+](=O)[O-] 603575533 LOHSXRBEGBZDJR-UHFFFAOYSA-N 430.917 4.493 5 20 IIBD O=C(CNc1cccc(OCc2cccc(F)c2)c1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 604010447 KHQIUZOLEYOCOG-UHFFFAOYSA-N 439.399 4.092 5 20 IIBD O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 608817402 QZAUXRRKIMVFPP-AWEZNQCLSA-N 435.415 4.285 5 20 IIBD COc1c(Br)cc(Cl)cc1NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 609210925 UOAUZHYLFKNJOC-UHFFFAOYSA-N 443.685 4.253 5 20 IIBD O=C(N[C@@H]1CCN(c2ccc(F)cc2F)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 609305031 VRVAWELHLYBTGL-CQSZACIVSA-N 430.436 4.005 5 20 IIBD COc1ccc(C2(NC(=O)NCCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 609470361 ARETXYSMTYSLLB-UHFFFAOYSA-N 438.406 4.023 5 20 IIBD Cc1c(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)n[nH]c1C(F)(F)F 609874646 BXFZOEWJLDJZRV-UHFFFAOYSA-N 449.176 4.390 5 20 IIBD O=C(Nc1ccc2c(c1)Cc1ccccc1-2)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 610140543 APONVRZEAAVRGI-UHFFFAOYSA-N 442.475 4.156 5 20 IIBD CCOC(=O)c1sc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c(C(=O)OC(C)(C)C)c1C 610223182 WYLIKAAAZRMOOS-UHFFFAOYSA-N 448.497 4.278 5 20 IIBD CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c(F)c1 610338442 WRIKYODPKOFRSW-UHFFFAOYSA-N 443.456 4.088 5 20 IIBD CCOC(=O)c1nnc(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)s1 610896139 YFRBSGKEJVKMEV-UHFFFAOYSA-N 430.467 4.027 5 20 IIBD Cn1ccnc1[C@H](NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc([N+](=O)[O-])cc1 611560457 IZHKORXDLZDOLR-HRAATJIYSA-N 425.920 4.187 5 20 IIBD CO[C@H]1CCCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 611988399 NWTZHXYFPGXJIS-HNNXBMFYSA-N 431.876 4.142 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)c2ncccc12 613338692 VSQAYLLAMNPWBW-INIZCTEOSA-N 436.493 4.193 5 20 IIBD Cc1ccccc1CN1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 681958711 LHVOLUJPBHIQJY-UHFFFAOYSA-N 425.532 4.338 5 20 IIBD O=C(Nc1ccccc1N1CCCC1)c1ccc(I)c([N+](=O)[O-])c1 727748441 SAGLWMRJQPHQGT-UHFFFAOYSA-N 437.237 4.052 5 20 IIBD C[C@@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N1c2ccccc2C[C@H]1C 728341421 XXJXLLZVNLXCOI-ZIAGYGMSSA-N 437.477 4.241 5 20 IIBD CN(CCCc1cc(-c2ccccc2)n[nH]1)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 728927091 XGXNFCNMRKWLGW-UHFFFAOYSA-N 427.892 4.141 5 20 IIBD CC(C)(C)OC(=O)N1CCCc2cc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])ccc21 729666814 CCJSFHLHBGXXEF-UHFFFAOYSA-N 433.486 4.083 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 730223826 SQCQODQFKBQROM-SFHVURJKSA-N 442.274 4.320 5 20 IIBD CC(C)(C)OC(=O)NC1(c2noc(-c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)n2)CCCC1 731800245 XISXBUDFDVGQQK-UHFFFAOYSA-N 440.460 4.125 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc2nc(N3CCOCC3)sc2c1 733615439 YSUVCJAQIYJJMN-UHFFFAOYSA-N 433.877 4.339 5 20 IIBD O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 735743675 HPSGEVQDGJJVIZ-CYBMUJFWSA-N 436.198 4.358 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCc2ccc([N+](=O)[O-])cc21 735997458 VCFAZUREHXYJPE-UHFFFAOYSA-N 448.222 4.198 5 20 IIBD O=[N+]([O-])c1cccc(/C(O)=C(/C(=S)N[C@@H]2CCc3ccccc3C2)[n+]2ccccc2)c1 743056376 ZKFCJLXKVCKLKP-HXUWFJFHSA-O 432.525 4.241 5 20 IIBD COc1ccc(CC(=O)OCc2cc(Cl)ccc2OC[C@@H]2CCCO2)cc1[N+](=O)[O-] 744346930 WZIRHGSVVKUQQU-KRWDZBQOSA-N 435.860 4.101 5 20 IIBD COc1ccc(OCCOC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)c([N+](=O)[O-])c1 744903036 VMDJIUCHXXSORE-HZPDHXFCSA-N 436.258 4.092 5 20 IIBD O=C([C@@H]1CC(=O)N(c2ccc(F)cc2F)C1)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 745344367 BQIOFJSGWWGVCF-CYBMUJFWSA-N 449.841 4.323 5 20 IIBD Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 745437699 IHTCANLDLSAJJE-UHFFFAOYSA-N 449.250 4.191 5 20 IIBD COCc1nc(OC)c2c(C)c(C(=O)OCc3cc(Cl)ccc3[N+](=O)[O-])sc2n1 746061496 TUZSAMSXOHYDAP-UHFFFAOYSA-N 437.861 4.073 5 20 IIBD O=C(NC1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1)Oc1ccccc1 746840551 PUMTVWPKEBBOIU-UHFFFAOYSA-N 437.374 4.007 5 20 IIBD C[C@@H]1CN(c2ccc(NC(=O)c3ccc(Br)c([N+](=O)[O-])c3)cc2)C[C@@H](C)O1 747397139 XKCZXAITUCSVKJ-CHWSQXEVSA-N 434.290 4.223 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c(Cl)c1 748951445 RITBYIZYSKFJIV-LBPRGKRZSA-N 435.820 4.266 5 20 IIBD C[C@@H]1CCCN(CCCCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 749568296 HVLFULLBXCJFMR-GFCCVEGCSA-N 432.746 4.253 5 20 IIBD CC(C)c1c(C(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cnn1-c1ccccc1 750436014 ONLVAGMUQLMRLT-UHFFFAOYSA-N 449.511 4.372 5 20 IIBD CC(C)(NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)C(=O)Nc1ccccc1 750864050 DMUWXGNMTIQDPF-UHFFFAOYSA-N 440.681 4.158 5 20 IIBD O=[N+]([O-])c1cc(CN[C@@H](CO)C[C@H](O)c2ccccc2)ccc1Oc1ccc(F)cc1 754084253 WGTUJHAXYJGNHZ-KNQAVFIVSA-N 426.444 4.100 5 20 IIBD Cc1noc(C)c1[C@@H](C)CC(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 754294027 XZQUZXATGAAJPU-JOYOIKCWSA-N 443.378 4.282 5 20 IIBD CC(C)[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1nc2ccccc2[nH]1 754964530 BGCLFFZZYMUEPB-INIZCTEOSA-N 435.253 4.500 5 20 IIBD Cc1cccc(NC(=O)CN(C)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c1C 755024689 HMCKTQOZFILMMU-UHFFFAOYSA-N 435.278 4.077 5 20 IIBD COC(=O)[C@H](C)[C@@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 755031107 SLUBHLAFPGPATK-BDJLRTHQSA-N 436.262 4.029 5 20 IIBD O=C(Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O)N1c2ccccc2Sc2ccccc21 755247932 NEAFLLORRUBFIG-UHFFFAOYSA-N 446.444 4.241 5 20 IIBD COC(=O)CCSc1cccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1 756694702 YXZUXJWUMVBAQP-UHFFFAOYSA-N 439.287 4.265 5 20 IIBD Cc1cccc(Cl)c1NC(=O)COC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 757709400 FFVKPWKXJBAAPY-UHFFFAOYSA-N 427.240 4.161 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)c1 758150534 MWVZWEFKBUKAFZ-UHFFFAOYSA-N 434.861 4.248 5 20 IIBD C[C@H](C(=O)O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccc(Br)s1 759930393 JENWMEQGMQHVFI-SDDRHHMPSA-N 428.308 4.446 5 20 IIBD CC(C)(C)OC(=O)NCC1(C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCCC1 760532993 JUPMYXHZAUDSAD-UHFFFAOYSA-N 445.472 4.378 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1)N1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 761505088 FIWBQLVEZFARGG-UHFFFAOYSA-N 427.810 4.225 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@H](O)c1cccc(OCc2ccccc2)c1 761609949 XHNHULWUOHKMCQ-QFIPXVFZSA-N 438.505 4.116 5 20 IIBD C[C@H](CC(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 764057646 PQIAFSRLDSAUQC-CABCVRRESA-N 447.488 4.453 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC(O)(c2ccccc2Cl)CC1 765249837 AFJCOFRSLJCISX-UHFFFAOYSA-N 441.818 4.365 5 20 IIBD O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC(O)(c2ccccc2C(F)(F)F)CC1 765619070 PIOQJXDFBJDQAW-UHFFFAOYSA-N 428.794 4.391 5 20 IIBD COc1c(F)cc(S(=O)(=O)Oc2cc(Cl)c(Cl)cc2C(C)=O)cc1[N+](=O)[O-] 766177799 ATABIGHUORBOMI-UHFFFAOYSA-N 438.216 4.020 5 20 IIBD COc1cc(COC(=O)c2ccc(CNC(=O)c3cccs3)cc2)c([N+](=O)[O-])cc1F 766188440 UXNPOUCAKUNXFI-UHFFFAOYSA-N 444.440 4.091 5 20 IIBD Cc1cc(OC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)ccc1Br 766562972 HSCZSGMHWQNOCC-UHFFFAOYSA-N 449.286 4.165 5 20 IIBD COCc1ccc(NC(=O)c2cc(C(=O)Nc3ccc(COC)cc3)cc([N+](=O)[O-])c2)cc1 767205685 OHYRPGQYWOHEGT-UHFFFAOYSA-N 449.463 4.392 5 20 IIBD CC[C@@H](C[C@H](C)CO)NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 768882352 RWZYUWZDYLTBTP-KBPBESRZSA-N 433.892 4.027 5 20 IIBD C[C@@H](OC(=O)[C@H](C)c1cn(C)c2ccccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 772834375 JSNPAZBDEKHYGE-CHWSQXEVSA-N 429.860 4.414 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(=O)c1cc3cc([N+](=O)[O-])ccc3o1)C2 773364047 LNSSEQLKYZXFKM-UHFFFAOYSA-N 429.473 4.204 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cccc2c1ccn2CC(C)C 773722610 MKOKJYHSVCRLND-UHFFFAOYSA-N 425.441 4.010 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1cccc(OC(F)(F)F)c1 775546782 FUONIOTWOBZMJR-GFCCVEGCSA-N 427.379 4.181 5 20 IIBD Cc1ccnc(-n2c(SCc3nc4ccc([N+](=O)[O-])cc4[nH]3)nc3ccccc3c2=O)c1 776432870 XTWXCWKHLGROEE-UHFFFAOYSA-N 444.476 4.166 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)Nc1cc(Cl)ccc1Cl 778887289 JQNUKNXKHAJTHE-UHFFFAOYSA-N 435.166 4.299 5 20 IIBD CN(Cc1ncc(Cl)n1C)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 778987195 QFPQIBNTITVSBL-IBGZPJMESA-N 448.310 4.447 5 20 IIBD C[C@H](OC(=O)c1cccc(Br)c1Cl)C(=O)Nc1ccccc1[N+](=O)[O-] 780130133 XHUNQJJJNAPFLN-VIFPVBQESA-N 427.638 4.195 5 20 IIBD CC(C)c1nccn1Cc1cccc(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c1 781649669 CTMUXURJMLPZDZ-NRFANRHFSA-N 433.468 4.095 5 20 IIBD C[C@@H](OC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1c(F)cccc1-n1cccn1 781735053 KGMGCXWHTXYCSI-CYBMUJFWSA-N 428.376 4.065 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 783032767 NBZUIRKESGCPIS-IAGOWNOFSA-N 432.521 4.105 5 20 IIBD CC(C)(CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(C(F)(F)F)cc1 787909611 WXCPOQHSYPEXTH-UHFFFAOYSA-N 443.809 4.300 5 20 IIBD Cc1cnc(COC(=O)c2sc(COc3ccc(F)cc3)nc2C)c(C)c1[N+](=O)[O-] 789429072 AJIJSHQTFMFSOW-UHFFFAOYSA-N 431.445 4.447 5 20 IIBD CN(Cc1ccc(Cl)s1)C(=O)COc1cc(F)c(Br)cc1[N+](=O)[O-] 790297030 XCSCDRWZVXGLLV-UHFFFAOYSA-N 437.674 4.249 5 20 IIBD O=C([C@H]1C[C@]12CCc1ccccc12)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791173374 SQSGCOVHGWPJKJ-UTKZUKDTSA-N 427.298 4.146 5 20 IIBD COc1ccccc1OCc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 791744245 ISVSAFSTQRMDDH-UHFFFAOYSA-N 428.353 4.041 5 20 IIBD O=[N+]([O-])c1ccc(Br)c2c1CN(Cc1csc(-c3ccccn3)n1)CC2 792901140 XVHFQUVIZYMDLK-UHFFFAOYSA-N 431.315 4.434 5 20 IIBD Cn1nc(C(F)F)c2cc(C(=O)O[C@@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)sc21 796765648 MFDRLYQSEHTXOS-GHMZBOCLSA-N 425.417 4.018 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 799784149 PZQJTGCDEJPOHC-JKSUJKDBSA-N 437.562 4.229 5 20 IIBD CCN(C)C(=O)CSc1ccc([C@H](C)OC(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1 809074899 LYUHXHDCEKJQAX-AWEZNQCLSA-N 432.498 4.092 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 809404827 UNGCUGQKVRBVSA-SFHVURJKSA-N 437.412 4.147 5 20 IIBD O=C(Nc1cccc(OS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)c1)C1CC1 809808640 BWQRBCCXMBWXGW-UHFFFAOYSA-N 431.253 4.018 5 20 IIBD CSc1nc(C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c2ccccn12 811215954 BXWVHKTZUMYHFI-UHFFFAOYSA-N 426.479 4.445 5 20 IIBD CSc1cccc(C(=O)NC[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)c1[N+](=O)[O-] 811551791 MSYNTTZGIRLIHP-SHTZXODSSA-N 437.562 4.378 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2nnc3n2CCCCCC3)cc1 812561005 ZNUBPJFIINGHSM-UHFFFAOYSA-N 441.513 4.079 5 20 IIBD CN(C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 813083803 XJEJIEBAMAHDJG-CYBMUJFWSA-N 449.699 4.156 5 20 IIBD CCOC(=O)[C@@](C)(CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccccc1 813214965 SFGMHFWNZQZYAT-IBGZPJMESA-N 425.268 4.152 5 20 IIBD C[C@H](OC(=O)C1CCC(OC[C@H]2CCCO2)CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 815342988 IYCFENNDXITKNL-MTYUVTTFSA-N 445.472 4.003 5 20 IIBD Cc1cc(C)n(Cc2cccc(-c3noc(-c4cc([N+](=O)[O-])c5nsnc5c4)n3)c2)n1 904526286 WFLNTXDNTWEZOP-UHFFFAOYSA-N 433.453 4.178 5 20 IIBD Cc1cc(C)n(-c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)cn2)n1 915152667 ZDODUVAWSYJOAC-UHFFFAOYSA-N 434.500 4.281 5 20 IIBD CC1=C(C(=O)N(C)C)[C@H](c2cc([N+](=O)[O-])ccc2Cl)NC(=S)N1c1ccccc1 916161842 QVVDQIHCADDTHG-SFHVURJKSA-N 430.917 4.046 5 20 IIBD Cc1ccccc1[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 917924351 OFUBRKBNYVIXTB-MRXNPFEDSA-N 425.304 4.192 5 20 IIBD O=C(OCc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 919090464 UVPXAWXYRGMANY-QGZVFWFLSA-N 441.242 4.389 5 20 IIBD Cc1ccc(C(=O)N(C)c2ccc(OC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)cc2)cc1 921243710 LFIANTTYEHSKIX-UHFFFAOYSA-N 434.404 4.128 5 20 IIBD CC(=O)NCc1ccc(-c2csc(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)n2)cc1 1116557675 UCSQQZIEQXJVGL-GFCCVEGCSA-N 442.472 4.236 5 20 IIBD CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1N 1116947604 ACKZCOLJIQXIDL-KUHUBIRLSA-N 448.317 4.179 5 20 IIBD COc1ccc([C@@H](O)C2CCN(Cc3ccc([N+](=O)[O-])cc3Br)CC2)cc1 1117661299 KJFHZMGTUSZFEN-HXUWFJFHSA-N 435.318 4.312 5 20 IIBD CCc1ccc(-c2n[nH]c(SCCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)n2)cc1 1318544907 NQALJFNAXKACNO-UHFFFAOYSA-N 425.470 4.033 5 20 IIBD CC1=C(C(=O)N(C)C)[C@@H](c2cc(Cl)ccc2[N+](=O)[O-])NC(=S)N1c1ccc(C)cc1 1318651382 PPYHROAPQCGYBF-LJQANCHMSA-N 444.944 4.355 5 20 IIBD O=[N+]([O-])c1ccc(CN[C@@H](CO)c2ccccc2OC(F)(F)F)c(Br)c1 1322483683 DKXMYVFNNXHTSP-AWEZNQCLSA-N 435.196 4.079 5 20 IIBD CC1(C(=O)Nc2ccc(C3(NC(=O)c4nc5cc([N+](=O)[O-])ccc5[nH]4)CCC3)cc2)CC1 1787601681 NWNVNCZHFLMNGQ-UHFFFAOYSA-N 433.468 4.019 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)NC1(c2ccc(NC(=O)[C@H]3CC3(F)F)cc2)CCC1 1789130125 UJVWUXXLGFBGEX-LJQANCHMSA-N 443.450 4.317 5 20 IIBD COc1cc(CC(=O)NC2(c3ccc(NC(=O)C45CC(C4)C5)cc3)CCC2)ccc1[N+](=O)[O-] 1792036226 NIRXWBVIWWWYAB-UHFFFAOYSA-N 449.507 4.080 5 20 IIBD CC(C)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2F)[nH]n1 1821932386 HTWSUAHCBYUXFR-IBGZPJMESA-N 445.495 4.128 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cc([C@@H]2CCCCN2C(=O)C2CCCC2)[nH]n1 1823501200 PITFTKCWDVPJDI-SJFMBGHLSA-N 437.500 4.214 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CC=CCC2)CC1 1824105262 LBVOHXMJTXQCFM-XMSQKQJNSA-N 443.519 4.324 5 20 IIBD CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CSc3ccccc3[N+](=O)[O-])CC2)CC1 1831776169 JYVSSIJDKDPJNH-SFHVURJKSA-N 445.585 4.107 5 20 IIBD Cc1ccc(OCC(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c(C)c1 10091017 ONGJWKCNJAHSFE-ZDUSSCGKSA-N 440.374 4.180 5 20 IIBD Cc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)cc1 10264074 JINNUOXVCVHICT-LBPRGKRZSA-N 431.905 4.471 5 20 IIBD O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1cc(Cl)ccc1-n1cncn1 10592508 SCVIDIFMCIUQLD-UHFFFAOYSA-N 446.901 4.169 5 20 IIBD CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 14345408 HADCGIZUZXSYCS-SIIHOXLZSA-N 426.897 4.207 5 20 IIBD Cc1ccc(-c2csc3ncn(Cc4cc([N+](=O)[O-])cc5c4OCOC5)c(=O)c23)cc1 15551713 WCIFVCFPHDSLMT-UHFFFAOYSA-N 435.461 4.256 5 20 IIBD Cc1c(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cccc1[N+](=O)[O-] 15790794 DZNLKWZEPBQTRT-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD Cc1nc(-c2cccs2)sc1C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 17830996 INWJRJCXVRNADG-UHFFFAOYSA-N 428.451 4.495 5 20 IIBD COc1cc(NC(=O)c2cccs2)c(C(=O)OCc2ccccc2[N+](=O)[O-])cc1OC 18274879 XLSWNLRTUXGYJV-UHFFFAOYSA-N 442.449 4.283 5 20 IIBD O=C(COC(=O)/C=C/c1ccc2ccccc2n1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 21106960 UOSHRFHUINHZHH-JXMROGBWSA-N 445.353 4.357 5 20 IIBD CCn1c(SCC(=O)N[C@H]2CCOc3ccccc32)nc2cc3ccccc3cc2c1=O 27792302 LYHOTUUYZGIRGC-FQEVSTJZSA-N 445.544 4.302 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2cnn(-c3ccc(Cl)cc3)c2C)cccc1[N+](=O)[O-] 28966276 AHIAOADSWRFTJF-AWEZNQCLSA-N 442.859 4.235 5 20 IIBD Cc1ncc(-c2ccc(NC(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)cc2)o1 29203878 GHHLTBRSXKFUIT-UHFFFAOYSA-N 436.453 4.090 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(NC(=O)[C@@H](C)n2cccn2)c1 31612336 AUOFCODEAAFHPX-CABCVRRESA-N 439.497 4.110 5 20 IIBD C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)OCCO3 71885531 GRQKIYYWCKUWQX-AWEZNQCLSA-N 448.479 4.271 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 108414531 JLQCJKLGMRODGW-UHFFFAOYSA-N 435.889 4.266 5 20 IIBD Cc1occc1C(=O)Nc1cc(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1F 108417113 ULPLNGMPBDVWGU-LBPRGKRZSA-N 426.404 4.327 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccccc2OC[C@H]2CCCCO2)cc1[N+](=O)[O-] 108915021 BFGFJIKOPYGVSA-QGZVFWFLSA-N 446.525 4.423 5 20 IIBD O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 109746900 GMAYAUFJDXHMBS-UHFFFAOYSA-N 443.916 4.239 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NCc2cccc(NC(=O)C3CCCCC3)c2)c1[N+](=O)[O-] 301123473 OSSVJKIJWRNWAR-UHFFFAOYSA-N 442.472 4.435 5 20 IIBD COc1cccc(OC)c1OC1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 301694996 YGVQPHDQEWIJKH-UHFFFAOYSA-N 437.290 4.422 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1 303649864 TXFBWYLYOQBAFY-NDEPHWFRSA-N 430.507 4.012 5 20 IIBD CC[C@H](C(=O)N1CCC(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 409565070 HMKYIFOUXIHZEG-VGSWGCGISA-N 438.528 4.140 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc2c(s1)C[C@H](c1ccccc1)CC2 409576704 OUHAHTIRJGQURB-OAHLLOKOSA-N 429.523 4.433 5 20 IIBD O=C(CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])Nc1cc(Cl)ccc1Cl 429821109 NBVJOSNFSFZQLV-UHFFFAOYSA-N 447.072 4.033 5 20 IIBD O=C(NC[C@H]1CSCCN1Cc1ccccc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 430105778 QBKPRYWGLMFDFM-FQEVSTJZSA-N 443.572 4.029 5 20 IIBD Cc1c(NC(=O)C(=O)N2CCC[C@H]2c2cccs2)cc(Br)cc1[N+](=O)[O-] 430316295 GIOZPQXYWARXLQ-ZDUSSCGKSA-N 438.303 4.029 5 20 IIBD CC(=O)Nc1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cn1 433200265 PBHCMQFWBBQHJD-UHFFFAOYSA-N 442.479 4.091 5 20 IIBD CC1CCN(c2nnc(SCc3cc(O)ccc3[N+](=O)[O-])n2Cc2ccco2)CC1 436473228 FUEFKPODEZDMBY-UHFFFAOYSA-N 429.502 4.062 5 20 IIBD Cc1cc(C)c(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(Br)c1 438659120 BZWJQGNFFSQMAF-UHFFFAOYSA-N 448.317 4.350 5 20 IIBD CC(C)c1ccc(C(=O)Nc2ccc(Br)cc2S(C)(=O)=O)cc1[N+](=O)[O-] 438944931 FOWRYPQNLRFIEC-UHFFFAOYSA-N 441.303 4.137 5 20 IIBD CCO[C@H]1C[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C12CCCC2 444112790 DANDRMHAVXKGIS-MOPGFXCFSA-N 426.463 4.427 5 20 IIBD CCOCCOCc1cccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])c1 445194284 UHVVMTZZVROHGE-UHFFFAOYSA-N 429.292 4.224 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)c(Br)c1 447009134 XHDHRVHGANAEBW-UHFFFAOYSA-N 441.181 4.057 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1Nc1cccc(CN2CCOCC2)c1 447686441 QLBYPTFUSSZQDH-UHFFFAOYSA-N 432.349 4.220 5 20 IIBD CC(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 460860613 RRDQZZBFJCGQTH-PMACEKPBSA-N 427.549 4.324 5 20 IIBD CC(C)c1cnc(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)s1 461276863 NDAIVCDCRNIZQM-UHFFFAOYSA-N 446.510 4.228 5 20 IIBD C[C@@H]1Cc2ccccc2CN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCO1 461659614 HHIYSORKWJLVAO-VGOFRKELSA-N 433.512 4.374 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(Nc2cc(OC)cc(OC)c2)CC1 462774781 OPGJTNNTYZNWKS-SFHVURJKSA-N 441.528 4.284 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(N[C@H](C)c2ccccc2)CCOCC1 462999497 YBYNENNXFAUMBR-TZIWHRDSSA-N 439.556 4.180 5 20 IIBD COc1cc(CSc2nnc(COc3ccc(Cl)cc3)n2C)c([N+](=O)[O-])cc1F 463409440 KPHIEOSNQOOOLL-UHFFFAOYSA-N 438.868 4.396 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@@](CO)(Cc2ccccc2)C1 463491141 FRPIWZYAZQTISK-OAQYLSRUSA-N 435.427 4.045 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 464219981 FHFHUCXWMSFMED-OAHLLOKOSA-N 427.457 4.430 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(O[C@H](C)c2ncc(C(C)(C)C)o2)c([N+](=O)[O-])c1 464789698 BUOQNVBWMYNRIU-CYBMUJFWSA-N 425.507 4.051 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc2c(cc1OC(F)F)OCO2 465232875 RJRSVDCARKBLMP-UHFFFAOYSA-N 437.399 4.045 5 20 IIBD Cc1sc(S(=O)(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)cc1[N+](=O)[O-] 466958857 YQOIXYMGNFHADY-UHFFFAOYSA-N 441.506 4.423 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2N)cc1Oc1ncccc1Br 468597962 QIGMNSCFADQRQL-UHFFFAOYSA-N 444.245 4.083 5 20 IIBD O=C(NCCc1ncc[nH]1)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 469345554 ZJQHVVAWFVUNIT-UHFFFAOYSA-N 425.495 4.051 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1ccccc1-c1ccc(Cl)cc1 469390331 GAJNOPSQAWDVRS-IBGZPJMESA-N 441.919 4.464 5 20 IIBD CC[C@H]1CN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC[C@@H]1c1ccccc1 470001157 VDJZHWUEZWAADL-PXNSSMCTSA-N 437.496 4.325 5 20 IIBD C[C@H](NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(-c2ccncc2)cc1 470464812 FJOACTUJHRVEHI-SFHVURJKSA-N 431.496 4.250 5 20 IIBD CCOC(=O)[C@@](C)(CNC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C)c1ccccc1 470819276 FSQLNSWDTXKLIC-QFIPXVFZSA-N 430.526 4.346 5 20 IIBD O=C(Nc1ccc(N2CCCCC2)c2ncccc12)c1cc2c(cc1[N+](=O)[O-])OCCO2 471424852 QFMXDUWAURCXBA-UHFFFAOYSA-N 434.452 4.157 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 473499190 PJFLIGGJQNZAOS-QHCPKHFHSA-N 427.932 4.305 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1 474857854 RYGFAAYLZSYFEB-GFCCVEGCSA-N 443.381 4.436 5 20 IIBD CCOC(=O)[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)Cc2ccccc21 475195609 XSQLSQBOZPTBTQ-OAHLLOKOSA-N 437.374 4.308 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)C[C@H](O)COc1ccccc1C(F)(F)F 475650906 NXQZCCQVMMSLDE-AWEZNQCLSA-N 441.406 4.134 5 20 IIBD Cc1ccnc([C@H](NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)C2CC2)n1 478501885 FMIJXPGKQSOUDM-QGZVFWFLSA-N 441.538 4.490 5 20 IIBD O=[N+]([O-])c1cc(I)ccc1OCc1ncc(-c2cccs2)o1 478900599 KWGAQGNJUGDRMF-UHFFFAOYSA-N 428.207 4.495 5 20 IIBD CC[C@@H](C)c1ccc([C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)c2cccs2)cc1 479469045 ONFZFCCXQVJPJA-IVZQSRNASA-N 425.510 4.237 5 20 IIBD COc1ccc(CSCC(=O)N[C@H](C)[C@@H](OC)c2ccccc2Cl)cc1[N+](=O)[O-] 479696583 UTCMOFOKIYAEDZ-ZUOKHONESA-N 438.933 4.382 5 20 IIBD Cc1cc(CN(CC(C)C)C(=O)NCc2ccccc2[N+](=O)[O-])nc(N2CCCCC2)n1 480244287 AJXZUCFHLMYSQN-UHFFFAOYSA-N 440.548 4.051 5 20 IIBD COC(=O)c1ccc([C@@H](NCCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C(F)(F)F)cc1 481410529 CWLJWXAEGGHJPS-LJQANCHMSA-N 449.385 4.472 5 20 IIBD O=[N+]([O-])c1cc(CN2CCS(=O)(=O)c3ccccc3C2)ccc1Oc1ccc(F)cc1 482493280 FQOOUALKBZWNBH-UHFFFAOYSA-N 442.468 4.316 5 20 IIBD O=[N+]([O-])c1cccc(F)c1CN[C@H](CO)c1ccc(Br)cc1C(F)(F)F 483240334 HFIYJNPZEKHWBQ-CQSZACIVSA-N 437.187 4.338 5 20 IIBD CC[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)c1cccc(S(N)(=O)=O)c1 485393552 OCCNEBBYRAXGMD-QGZVFWFLSA-N 430.461 4.007 5 20 IIBD COc1cccc(Oc2ccc(CNC(=O)c3cccc(SC)c3[N+](=O)[O-])cn2)c1 485736695 VEPQJNFBBWTJBB-UHFFFAOYSA-N 425.466 4.443 5 20 IIBD C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 486017948 OGAIQIAQFLHZKF-ZDUSSCGKSA-N 443.447 4.351 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 486616223 RMKWOFJGQPTFDJ-INIZCTEOSA-N 449.598 4.037 5 20 IIBD Cn1c(=O)n(C)c2cc(NC(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)ccc21 487333851 KWTPDEDDIZGEQL-UHFFFAOYSA-N 434.477 4.189 5 20 IIBD COCCN1C(=O)CCc2cc(Nc3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)ccc21 490052595 GOWGWTDUMOQFEP-UHFFFAOYSA-N 448.479 4.238 5 20 IIBD CCOc1cc(CN2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)ccc1[N+](=O)[O-] 492515869 SJWZFJUBNGUYBK-IBGZPJMESA-N 426.517 4.336 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@@H](CN1CCCC1)c1ccccc1 494719488 LTCVTJZCYPEABY-IBGZPJMESA-N 436.434 4.250 5 20 IIBD CN(C)CCOc1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1 495091580 FFGSZUQXMSZRDT-UHFFFAOYSA-N 435.480 4.367 5 20 IIBD O=C(Nc1ccc(I)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 495119853 LUNWZADILIDQML-UHFFFAOYSA-N 437.237 4.396 5 20 IIBD O=C(Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 497328217 CZVZZHLEOGODEP-UHFFFAOYSA-N 449.263 4.179 5 20 IIBD C[C@H]1CN(CCCNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@H](C)O1 500284111 SNTVYUQYWXJWJG-HOTGVXAUSA-N 447.919 4.270 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCOC[C@@H]2c2noc(C(C)C)n2)cc1[N+](=O)[O-] 501928099 YHJPAZWKTBUGCP-QGZVFWFLSA-N 448.545 4.453 5 20 IIBD O=C(N[C@H](COc1ccccc1)c1ccccc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 502344059 UDYDXHYUCMWVDW-OAQYLSRUSA-N 428.448 4.331 5 20 IIBD COc1ccc(CNC(=O)N(Cc2csc(Br)c2)C2CC2)cc1[N+](=O)[O-] 502538322 BNCZGYMTCFSDRG-UHFFFAOYSA-N 440.319 4.302 5 20 IIBD COc1cc(CNc2cc(C(=O)N(C)C)ccc2Cl)c([N+](=O)[O-])cc1OCC(F)F 502653658 NBHYSWNKZDMWDK-UHFFFAOYSA-N 443.834 4.215 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2/C=C\c2ccccc2)c(C(F)(F)F)c1 503787819 ISQMTDYYGJILHR-WHLNPGIBSA-N 426.416 4.480 5 20 IIBD COC(=O)c1cc(C(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)cc([N+](=O)[O-])c1 503829409 NIZTYQYRHUSVNI-FQEVSTJZSA-N 439.855 4.144 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCN[C@@H](c2cccnc2)C1 505483453 JBNLAJGVXZGFTQ-LJQANCHMSA-N 438.871 4.222 5 20 IIBD C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1cccc(NC(=O)Cc2ccccc2F)c1 505783964 UYYRVEGFSWQHDU-AWEZNQCLSA-N 437.427 4.112 5 20 IIBD C[C@@H](NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccccc2)cc1 506253481 LBHZVLWCQILJRT-QGZVFWFLSA-N 448.479 4.064 5 20 IIBD Cc1sc(S(=O)(=O)Nc2cccc3cc(Br)cnc23)cc1[N+](=O)[O-] 507640040 YWJRGHPBZAFOCZ-UHFFFAOYSA-N 428.289 4.076 5 20 IIBD Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 508575920 JQENYKZHRJFAJV-UHFFFAOYSA-N 443.891 4.004 5 20 IIBD CCN1CCN([C@H](C)CNCc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 509594890 WDMMXUWAIRQLSU-LJQANCHMSA-N 428.602 4.170 5 20 IIBD CCN1CCN(c2ccc(Cl)cc2NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 509602838 UBIUZSZOFBBKIV-OAHLLOKOSA-N 431.924 4.273 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1[N+](=O)[O-] 509655182 YUAVGJYLVNTEDK-UHFFFAOYSA-N 432.274 4.154 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2cccc(CN3CCCCC3=O)c2)cc1[N+](=O)[O-] 509678801 MEZPGGMVWFKKBC-UHFFFAOYSA-N 446.301 4.431 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N(Cc1ccccc1)C[C@H]1CCCO1 516632513 ZLBLUNBKJQQEHI-OAQYLSRUSA-N 426.516 4.363 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N(CC(F)F)C1CC1 517353221 KYVBHBNNMXAIFP-UHFFFAOYSA-N 426.423 4.246 5 20 IIBD O=C(CCc1nc2cc(C(F)(F)F)ccc2s1)NCCOc1ccc([N+](=O)[O-])cc1 518309227 JBDJHIUSSAFSBO-UHFFFAOYSA-N 439.415 4.351 5 20 IIBD CC[C@@H]1CCCN(C(=O)c2ccccc2NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C1 518801983 QSIDCAYOYZCHQG-QGZVFWFLSA-N 445.541 4.275 5 20 IIBD COc1ccc(Br)c(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 520389837 QMUMRGLRCCWJQC-JTQLQIEISA-N 443.681 4.103 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1cccc(COC2CCCCC2)c1)c1cccc([N+](=O)[O-])c1 520927433 FLVBLTNTSQETDL-MRXNPFEDSA-N 425.485 4.260 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(Cl)c(C[S@](C)=O)c2)cc1[N+](=O)[O-] 522350431 MERGXWNCVTVUTJ-NDEPHWFRSA-N 442.946 4.007 5 20 IIBD CCOC(=O)Cn1ccc2cc(NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)ccc21 522723962 PXWAVEUYBTWKMG-CQSZACIVSA-N 427.482 4.232 5 20 IIBD COc1ccc(CC(=O)NCc2ccccc2CN(C)C2CCCCC2)cc1[N+](=O)[O-] 524314319 NHPTYNJQEDGTHG-UHFFFAOYSA-N 425.529 4.227 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCC1(c2ccc(F)cc2)CCOCC1 524839141 WFXNVRQYCFHUMX-UHFFFAOYSA-N 429.492 4.104 5 20 IIBD COc1cc(C(=O)N2CCC(OCC3CCCCC3)CC2)c([N+](=O)[O-])cc1OC(F)F 525671776 JKTGAEWBEVPUNJ-UHFFFAOYSA-N 442.459 4.406 5 20 IIBD C[C@H](Cc1cc(Br)ccc1F)NC(=O)CCOc1ccccc1[N+](=O)[O-] 533688600 XONQMXSBYHKRFA-GFCCVEGCSA-N 425.254 4.013 5 20 IIBD CC[C@H](Nc1ncc([N+](=O)[O-])cc1Br)[C@@H](c1ccc(C)cc1)n1cncn1 534419618 XMAJFPBXTCGNLS-DLBZAZTESA-N 431.294 4.132 5 20 IIBD COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534841057 KMIIZQOTIXUJNI-SFHVURJKSA-N 435.358 4.013 5 20 IIBD CC[C@H](NC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1)[C@@H]1CCCO1 535142551 LJEFBUXRDBDOFU-HKUYNNGSSA-N 428.510 4.235 5 20 IIBD Cc1nc2ccccc2c2c(NC(=O)c3coc(S(=O)(=O)N(C)C)c3)c3ccccc3n12 535203211 SXSLSPSXAXGMKB-UHFFFAOYSA-N 448.504 4.045 5 20 IIBD CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)cc1 536734003 UYJXUBGNQRRIPH-GOSISDBHSA-N 441.528 4.306 5 20 IIBD CN(C(=O)Cc1ccn(-c2ccc(F)cc2)n1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 538251555 AWTCNEMLLDSJDP-UHFFFAOYSA-N 437.456 4.249 5 20 IIBD Cc1nc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])sc1Cc1cccc(F)c1 538498360 YVHNHIHPCYZZIN-UHFFFAOYSA-N 435.502 4.074 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3cc(C)n(-c4cccc(F)c4)n3)cc2)c(C)c1[N+](=O)[O-] 539534845 UAIPQBRLYPFETL-UHFFFAOYSA-N 448.458 4.342 5 20 IIBD Cn1cnnc1[C@H]1CCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 539822096 IKQCXRPOZYHIMN-MRXNPFEDSA-N 432.278 4.083 5 20 IIBD CCc1nc2ccccc2n1C1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 540056010 AFKXJPVLDJJHBT-KRWDZBQOSA-N 435.528 4.479 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC(CN3CCCCC3=O)CC2)cc1OC 541059199 HJOQULFNVZYGLZ-SFHVURJKSA-N 447.576 4.253 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCC(c3ccccc3C(F)(F)F)CC2)cc1 541350737 OBFKRFUNIRKVTF-UHFFFAOYSA-N 442.459 4.267 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(Nc2cccc(COCCOc3ccccc3)c2)s1 542104138 KSDFXTHIOXADIA-UHFFFAOYSA-N 448.522 4.399 5 20 IIBD COc1cc(Br)ccc1CCCNC(=O)c1cc(SC)ccc1[N+](=O)[O-] 544101967 VSIMJKVEZZXRDN-UHFFFAOYSA-N 439.331 4.450 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(n2c(O)nc3ccccc32)CC1 544208981 XIQKNYFKGAMMNU-UHFFFAOYSA-N 446.916 4.259 5 20 IIBD CN1CCC2(CC1)C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1ccccc1O2 545156190 MJQYGZXNWPXJPJ-HXUWFJFHSA-N 441.503 4.116 5 20 IIBD C[C@@H]1CCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)c2c(O)cccc21 545246618 IDZPASCHHXKOQL-SNVBAGLBSA-N 438.221 4.059 5 20 IIBD CCCOc1cn(-c2ccccc2)nc1-c1nc(CCNc2ccccc2[N+](=O)[O-])no1 546382886 HKUFSPAMCOWUAW-UHFFFAOYSA-N 434.456 4.274 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(Cc2cc(Br)cnc2O)no1 547179623 UFEWAZJIHVWMSE-SECBINFHSA-N 437.275 4.285 5 20 IIBD O=C1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)[C@H](C2CC2)N1 551333108 VAOLKLQNAMMQJJ-UZLBHIALSA-N 445.928 4.186 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1nc(C2CCCCC2)no1 551430619 HBCUEQWEPAWBIQ-CYBMUJFWSA-N 443.504 4.139 5 20 IIBD CCOc1cc(NC(=O)N(C)Cc2nc(-c3cccs3)no2)c([N+](=O)[O-])cc1OCC 554068166 YIIHMJVQEVULEG-UHFFFAOYSA-N 447.473 4.168 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CC[C@@H](C(F)(F)F)[C@H](CO)C1 557548154 VQPRDCMNVOXKGL-SUMWQHHRSA-N 440.443 4.379 5 20 IIBD O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@@H]1c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 569409171 RDFXNIBQYAOQLC-MRXNPFEDSA-N 448.266 4.248 5 20 IIBD C[C@H](C(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 573544233 KZCQBAULVUIKJV-INIZCTEOSA-N 445.541 4.290 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNc3cnccc3-n3ccnn3)o2)c(Br)c1 578574628 UEWVAHSZQJLFEX-UHFFFAOYSA-N 441.245 4.205 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(-c2ccccc2OCCN(C)C)no1 579643058 LQPSEVDKNNQVQL-UHFFFAOYSA-N 447.289 4.323 5 20 IIBD Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 584428375 SZBMWCKAFJQZEL-QGZVFWFLSA-N 430.936 4.267 5 20 IIBD CCOc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c2ccccc2)cc1 603721222 MSLQLGUXQRUPGQ-QFIPXVFZSA-N 433.464 4.146 5 20 IIBD CCNc1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CCSC3)cc1[N+](=O)[O-] 603820449 XILGVYPJOHPBER-UHFFFAOYSA-N 435.527 4.306 5 20 IIBD O=C(NC1(c2ccc(Br)cc2)CCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 604000862 LOWUKWQPESEFKY-UHFFFAOYSA-N 441.285 4.352 5 20 IIBD COc1ccc(C(=O)NCC(=O)N[C@H](CCC(C)C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 604103992 XHADJIVBHAVQFC-GOSISDBHSA-N 447.919 4.280 5 20 IIBD COc1ccc(-c2csc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)n2)cc1Cl 604468420 LXATZKBWSYQHAW-UHFFFAOYSA-N 433.829 4.361 5 20 IIBD CCN(CCC(F)(F)F)C(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] 604524117 UCWCWBUNGDHFCL-UHFFFAOYSA-N 433.408 4.053 5 20 IIBD O=C(NCc1ccccc1COCc1ccccc1)c1cc([N+](=O)[O-])cc2c1OCCO2 608937896 OOKDXDXGZIKDSA-UHFFFAOYSA-N 434.448 4.013 5 20 IIBD O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 609187065 AHMQDHHGXZHIRH-INIZCTEOSA-N 426.473 4.463 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@@H]3CCN(C4CCCC4)C3)cc2[N+](=O)[O-])n1 609310201 WUAVTYAIKKPBBX-OAHLLOKOSA-N 432.571 4.258 5 20 IIBD O=C(Nc1nc(-c2ccccc2Cl)cs1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 609443528 WCWQDSDXASVTRD-UHFFFAOYSA-N 426.845 4.205 5 20 IIBD Cc1ccc(NCCCNC(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)c([N+](=O)[O-])c1 610093096 SUUGZMBPHBPWDG-IBGZPJMESA-N 428.489 4.085 5 20 IIBD O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)Nc1cccc(CSC2CCCC2)c1 610127647 GVTDOHGVIBZUAT-UHFFFAOYSA-N 442.541 4.209 5 20 IIBD Cc1ccc(C(=O)N2CCC[C@H](C(=O)N3CCS[C@@H]3c3ccc([N+](=O)[O-])cc3)C2)cc1 610210520 ZGRKVEYYTPECDW-WMZHIEFXSA-N 439.537 4.030 5 20 IIBD CCOc1ccc(OC(C)(C)C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 610305517 SPZHODYZDLIEJO-UHFFFAOYSA-N 428.485 4.221 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCc2c(F)cc(Br)cc2C1 611154108 UVQOYSOAMBTAPG-UHFFFAOYSA-N 432.249 4.105 5 20 IIBD O=C(OCc1nc2cccnc2[nH]1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 726387251 IMDIGCGAEHCEPG-UHFFFAOYSA-N 437.843 4.489 5 20 IIBD COc1ccc(CC(=O)OCC(=O)N[C@H](c2ccccc2)C2CCCCC2)cc1[N+](=O)[O-] 727884415 VPFCFDKHYWFPDO-XMMPIXPASA-N 440.496 4.127 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCC(=O)N[C@H](C)c2ccccc2Cl)cc1SC 728649977 AMJXSYACBKEDIS-LLVKDONJSA-N 438.889 4.013 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)CCCc1nc(O)c2ccccc2n1 729116860 LCXXHCKLBIPQGA-UHFFFAOYSA-N 425.441 4.097 5 20 IIBD C[C@H](c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1)N1CCOCC1 729409477 ZAJGPMVAHYYFFH-GOSISDBHSA-N 438.528 4.231 5 20 IIBD C[C@@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1csc2ccccc12 729987023 SLQKDTKMNRJTDR-CQSZACIVSA-N 447.538 4.004 5 20 IIBD Cn1c(C(=O)O[C@@H](c2cc(Br)ccc2F)C(F)(F)F)ccc1[N+](=O)[O-] 730403886 BOLZBRZVLFBZIF-LBPRGKRZSA-N 425.132 4.295 5 20 IIBD O=C(OCc1cc2ccccc2nc1Cl)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 733558934 ONJKPCFWBHCAKP-OAHLLOKOSA-N 445.884 4.206 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)Cn1c(-c2ccc(F)cc2)c(C)sc1=O 735642987 KIJVBCHFTVELMH-UHFFFAOYSA-N 436.848 4.500 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 742624796 VIVNFZHFWGRTKG-IBGZPJMESA-N 446.548 4.035 5 20 IIBD C[C@@H](OC(=O)C1(c2ccccc2F)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 745065433 ZNZFZBDOYYVKEE-LLVKDONJSA-N 440.349 4.355 5 20 IIBD CCN1CCN(CCNC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)CC1 746257889 HJJHJOKSSKIAQI-UHFFFAOYSA-N 441.575 4.301 5 20 IIBD CN(C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1)C(=O)OC(C)(C)C 746827470 YJCVWJLVHATYTR-CYBMUJFWSA-N 445.438 4.333 5 20 IIBD CC[C@H](OC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)c1ccc(NC(C)=O)cc1 748884720 GMYSKIVNOHSVKU-XIKOKIGWSA-N 448.859 4.179 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)cccc1[N+](=O)[O-] 748908249 OWYKQRDXYISBGG-MAZHCROVSA-N 447.285 4.340 5 20 IIBD CC(C)OC(=O)C[C@@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])c1ccccc1 749146578 IDHJOHGBESRXCB-MRXNPFEDSA-N 442.440 4.086 5 20 IIBD CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1cccc(N2CCCC2)c1 751243547 FTZWZVQLGAPTJZ-HXUWFJFHSA-N 444.919 4.386 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)c1nc(-c2ccccc2)no1 751692058 ZJGSYSDNPADHFI-VIFPVBQESA-N 436.193 4.464 5 20 IIBD Cc1ccc([C@@H](NC(=O)COC(=O)c2c(F)ccc([N+](=O)[O-])c2F)c2cccs2)cc1 752568577 QRROKLVEVHWWFH-HXUWFJFHSA-N 446.431 4.306 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1cn(-c2ccc(Cl)cc2)nn1 753646339 CQTDPRNBHFFAQY-UHFFFAOYSA-N 444.878 4.132 5 20 IIBD O=C(NCc1cccnc1OCC(F)(F)F)Nc1ccc(Br)c([N+](=O)[O-])c1 755030420 QYKAJVWLPUIECS-UHFFFAOYSA-N 449.183 4.015 5 20 IIBD CCOc1cc(COC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)ccc1[N+](=O)[O-] 755519120 GJYBWYUIMNMBHA-UHFFFAOYSA-N 431.832 4.373 5 20 IIBD CC(C)(C)OC(=O)N1CCC(n2cc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)cn2)CC1 756240627 SYFCGRXXXWAMFK-UHFFFAOYSA-N 449.895 4.269 5 20 IIBD COC(=O)c1cccc(-c2nc(COC(=O)CCc3cccc([N+](=O)[O-])c3)cs2)c1 756538805 YYXNTFSDSLAAQV-UHFFFAOYSA-N 426.450 4.181 5 20 IIBD O=C(COC(=O)c1c[nH]nc1-c1ccccc1Cl)Nc1ccc([N+](=O)[O-])cc1Cl 756605426 QGUOXTXRPUUQRA-UHFFFAOYSA-N 435.223 4.087 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)N1CCCN(C(=O)OC(C)(C)C)c2ccccc21 756716264 ROUIYDOHKJJODF-UHFFFAOYSA-N 427.457 4.395 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)OCc1ncc(-c2cccc(Br)c2)o1 758076625 OCVLQCRREGCYCS-UHFFFAOYSA-N 436.193 4.091 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 758166702 PZTZKDHQAZOIIY-CQSZACIVSA-N 425.913 4.244 5 20 IIBD CC(=O)N1CC[C@H](COC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1 758543544 ARNFFLQSNXOVIG-AWEZNQCLSA-N 434.901 4.425 5 20 IIBD O=Cc1ccc(OCC(=O)N[C@H](c2cccc(F)c2)c2cccc(Cl)c2)c([N+](=O)[O-])c1 758738322 PGWGVBZKUACARK-QFIPXVFZSA-N 442.830 4.484 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 759076733 OSAIIGXCUKGGJG-UHFFFAOYSA-N 436.346 4.118 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 759364953 RBMICTIZMMLGCE-HNNXBMFYSA-N 445.472 4.330 5 20 IIBD CC(C)n1cc(Br)cc1C(=O)O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 759947193 WGZRCOWATCMOJW-DZGCQCFKSA-N 425.283 4.277 5 20 IIBD COc1cc(CN(C)S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)ccc1SC 762278366 DNNLUJVEEAFKRR-UHFFFAOYSA-N 430.935 4.108 5 20 IIBD C[C@@H]1CCCN1C(=O)c1ccc(-c2noc([C@@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)n2)cc1 762310609 XTCDPICFKDHNGB-VLIAUNLRSA-N 447.451 4.135 5 20 IIBD CN1CC[C@@H](CNC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 762736299 SXOCWBLBJPBQGQ-BBATYDOGSA-N 427.810 4.088 5 20 IIBD Cc1cc(=O)c(C(=O)O[C@H](C)c2ccccc2[N+](=O)[O-])nn1-c1ccccc1C(F)(F)F 764595024 FDBAXGGJBPYMFX-CYBMUJFWSA-N 447.369 4.386 5 20 IIBD C[C@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(NC(=O)Nc2ccccc2)cc1 768805187 LWBXWFFMAURKTR-ZDUSSCGKSA-N 446.510 4.340 5 20 IIBD O=C(Nc1cccc(F)c1)C1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 769231630 CHDQYIOKSLTKJE-UHFFFAOYSA-N 436.281 4.347 5 20 IIBD Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)OC(=O)c1sc(Br)cc1[N+](=O)[O-] 773600486 VASFHYWDSXWFPR-WDEREUQCSA-N 441.303 4.150 5 20 IIBD O=C1CCCN1C[C@H](NCc1cc(F)ccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 774919263 MVNPMATVVFTSMR-KRWDZBQOSA-N 425.382 4.206 5 20 IIBD Cc1nc(COc2ccc(C(=O)O[C@H](c3cccnc3)c3ccccc3[N+](=O)[O-])cc2)no1 776130637 BMIJDVSNTFORCK-JOCHJYFZSA-N 446.419 4.207 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776137028 MDURANYMGACNDU-JOCHJYFZSA-N 432.392 4.186 5 20 IIBD COC(=O)C[C@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 778144145 QDRGNDYWFUSCHL-HNNXBMFYSA-N 446.328 4.126 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)Nc1ccccc1SC(F)F 778887315 KQENNVNTKFNEOV-UHFFFAOYSA-N 448.350 4.306 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 781343732 QULWMLRUVNTTPE-HNNXBMFYSA-N 446.529 4.238 5 20 IIBD C[C@@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccccc1Br 785950355 XSEQZXBCKRNQOC-SNVBAGLBSA-N 441.665 4.124 5 20 IIBD Cc1cnc(COC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)c(C)c1[N+](=O)[O-] 789441108 CLZBVRJJSLIWOX-LJQANCHMSA-N 447.491 4.355 5 20 IIBD Cc1c(C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)cnn1-c1ccccc1 790122041 HSSIPJIYULMTFO-UHFFFAOYSA-N 446.467 4.190 5 20 IIBD COc1ccc(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cc1C1CC1 791172909 RKSWSPNJKQKKTQ-UHFFFAOYSA-N 431.286 4.442 5 20 IIBD C[C@H](OC(=O)Cc1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 791181035 QPRJEJWYFZOXFU-JTQLQIEISA-N 430.766 4.380 5 20 IIBD O=C(c1sccc1OC(F)F)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791246651 XEMMYGALNLJQBR-UHFFFAOYSA-N 433.230 4.219 5 20 IIBD CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1 792471640 AHFYXLZGZFCNAY-LBPRGKRZSA-N 449.257 4.052 5 20 IIBD CCCN(CC)C[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 794218276 GYGBYELPWRSJKF-OAHLLOKOSA-N 446.935 4.351 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)OCc3cncn3CC(F)(F)F)cc2[N+](=O)[O-])C1 797120667 DOPIQNOMDGFUJQ-OKILXGFUSA-N 440.422 4.193 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@@H](c3cccnc3)C(C)C)CC2)ccc1[N+](=O)[O-] 797952909 SSHQQQWZECGZTP-JOCHJYFZSA-N 427.501 4.340 5 20 IIBD Cc1ccc(COc2cccc(NC(=O)C(=O)N(C)CCc3ccccc3[N+](=O)[O-])c2)cc1 807297700 JRHQQRIWDTXDHW-UHFFFAOYSA-N 447.491 4.122 5 20 IIBD COc1cc(Br)ccc1OC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 809056697 JDGQFWYCYQDAAE-VIFPVBQESA-N 430.638 4.392 5 20 IIBD C[C@@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccc(SCC(=O)N(C)C)cc1 809071027 TUXZEDUBDMKVET-OAHLLOKOSA-N 430.526 4.357 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)c(Cl)cc1Cl 809810806 NVOGDWQFOFKKRH-AWEZNQCLSA-N 445.324 4.272 5 20 IIBD CN(C[C@H]1CCCO[C@@H]1c1ccccc1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F 809812916 LYKADCDNXLKZRN-AUUYWEPGSA-N 442.896 4.176 5 20 IIBD C[C@H](Sc1ccccc1C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(N)=O 811218820 FMTNJQWGBKRJGL-LBPRGKRZSA-N 443.506 4.041 5 20 IIBD CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 812647862 ZNOXVWNULMBMTM-GOSISDBHSA-N 431.832 4.445 5 20 IIBD CC(C)(C)OC(=O)Nc1cnc(C(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)cn1 815232819 QLAWWEXWGXKBKA-UHFFFAOYSA-N 442.350 4.108 5 20 IIBD Cc1cc(C)cc([C@H](OC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C(F)(F)F)c1 818664057 OMLOEXPHAGSCRZ-KRWDZBQOSA-N 442.415 4.249 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Oc2ccc(Oc3ccccn3)cc2)cc1[N+](=O)[O-] 874990621 ODUBDKOQUZUPBP-UHFFFAOYSA-N 449.448 4.281 5 20 IIBD Cc1cccc(OCCC(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)c1C 914463550 LVISNYXDDNZOMT-UHFFFAOYSA-N 438.484 4.468 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N(C)Cc2ccc(Br)o2)CC1 915081828 LIDBHQDBIRDINV-UHFFFAOYSA-N 436.306 4.459 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)Oc1ccc(S(=O)(=O)c2ccccc2)cc1 916443977 PKKJXMKAEJIXQK-UHFFFAOYSA-N 429.475 4.125 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 917068896 BAWANPWKCNDVRS-UHFFFAOYSA-N 447.753 4.370 5 20 IIBD COc1cc(C(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)c([N+](=O)[O-])cc1OC(F)F 917769779 VXDUMRKJEXZXCV-UHFFFAOYSA-N 443.353 4.336 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)OCCNC(=O)c3ccncc3)cc2[N+](=O)[O-])cc1 917943325 WDXAVBGBTMFIPK-UHFFFAOYSA-N 437.477 4.036 5 20 IIBD COc1ccc(CNC(=O)NC2CCN(c3ccc(C(C)(C)C)cc3)CC2)cc1[N+](=O)[O-] 919791709 GGGBBVGIYVBTSU-UHFFFAOYSA-N 440.544 4.369 5 20 IIBD CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)OCc1cc(F)ccc1[N+](=O)[O-] 920650909 CHJKRTMRONNVBW-HSZRJFAPSA-N 438.455 4.314 5 20 IIBD C[C@H](OCC1CC1)C(=O)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 920781279 MHUXPOPUEMDSLW-DJJJIMSYSA-N 432.860 4.286 5 20 IIBD COc1cc(F)cc(F)c1S(=O)(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 1318650788 OWLCYMMEVUVLPZ-UHFFFAOYSA-N 436.392 4.475 5 20 IIBD O=[N+]([O-])c1ccc(CNc2ccc(OCCO)cc2C(F)(F)F)c(Br)c1 1320691579 CMOSBCFDDMLICK-UHFFFAOYSA-N 435.196 4.359 5 20 IIBD C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1328985442 PNNQMOFAFJGFQV-INIZCTEOSA-N 435.446 4.137 5 20 IIBD C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1N)c1nc(C(C)(C)C)cs1 1344705830 GKBFUWCVLKDSOD-MRVPVSSYSA-N 427.324 4.185 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1)c1cc(C2CC2)on1 1785963873 ZEXBJQFLGTULQX-UHFFFAOYSA-N 436.424 4.115 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)NC1(c2ccc(NC(=O)c3ccncc3)cc2)CCC1 1787306979 VNWNAQPYRNWBKJ-UHFFFAOYSA-N 444.491 4.370 5 20 IIBD CC(C)[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C2)c1ccccc1 1793204888 NETWQDOCRJHUTC-WTEVXDJOSA-N 449.551 4.215 5 20 IIBD Cc1ccc([C@@H](C)C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C3)cc1 1801778095 LKCSQRJFOCQLRQ-HUJKARHJSA-N 439.487 4.098 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(C)CCCC3)CC2)ncc1[N+](=O)[O-] 1827827697 SNSJEARUTUEYPP-HXUWFJFHSA-N 442.560 4.112 5 20 IIBD CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)CCCCC1 1831798756 XMJQXGALDDISLB-IBGZPJMESA-N 430.549 4.127 5 20 IIBD CC(=O)Oc1ccc(-c2ccc(C(=O)OCC(=O)N(C)c3ccc([N+](=O)[O-])cc3)cc2)cc1 10955729 XEZOJIKIUROAJZ-UHFFFAOYSA-N 448.431 4.007 5 20 IIBD Cc1cc(-c2cc(C(=O)NCCNc3ccc([N+](=O)[O-])cc3)c3c(C)noc3n2)c(C)o1 14529089 AGAQMPQQFMAOSH-UHFFFAOYSA-N 435.440 4.158 5 20 IIBD Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 16823024 HJEIVDRDKMHGFN-ZDUSSCGKSA-N 439.390 4.213 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(SCc3cccnc3)cc2)c([N+](=O)[O-])c1 25146878 WDZQKTYYDLORSW-UHFFFAOYSA-N 431.495 4.092 5 20 IIBD O=C(COC(=O)CSc1ccccc1[N+](=O)[O-])N[C@@H](c1ccccc1)c1cccs1 27737564 HEOMQHIYKGHGGE-NRFANRHFSA-N 442.518 4.197 5 20 IIBD CCS(=O)(=O)c1ccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1 32618705 UKHUPHHTWIXVOT-IYBDPMFKSA-N 445.541 4.123 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2ccc3c(c2)OCCO3)cc1 32685882 MGMQHXQPSOXSHR-UHFFFAOYSA-N 436.420 4.097 5 20 IIBD C[C@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 33178155 SWICEKIPBANQKC-INIZCTEOSA-N 449.532 4.123 5 20 IIBD C[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1cccc(NC(=O)c2ccccc2)c1 58233953 IYARUWFWSYNKEG-OAHLLOKOSA-N 447.447 4.109 5 20 IIBD CCOc1ccc([C@@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C(C)C)cc1OCC 61995075 FUQBZOYQBMILAS-NRFANRHFSA-N 443.500 4.153 5 20 IIBD Cc1ccc(C[C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2I)c(C)c1 78718074 CPMICIZPUGHMBE-ZDUSSCGKSA-N 438.265 4.177 5 20 IIBD O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc12 78777345 UYXGITIVZZGERS-UHFFFAOYSA-N 426.841 4.466 5 20 IIBD O=C(COc1cccc(NC(=O)C2CC2)c1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 106061300 SGTKFGMEOMHFCQ-UHFFFAOYSA-N 438.465 4.084 5 20 IIBD C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccc(F)cc2)cc1 108423925 GONAZXVBDOAKNL-OAHLLOKOSA-N 437.427 4.242 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2cccc(OC3CCCC3)c2)ccc1[N+](=O)[O-] 110321303 RGIYXNPZVYDVOI-QFIPXVFZSA-N 437.496 4.468 5 20 IIBD O=C(Nc1ccc(CC(=O)N2CCSCC2)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 116335419 HQPJDZJXZMSYIP-UHFFFAOYSA-N 441.534 4.180 5 20 IIBD O=C(c1cc2ccccc2c2cccnc12)N1CCN(c2ncnc3sccc23)CC1 195661036 AKLIGDMRTBXQNP-UHFFFAOYSA-N 425.517 4.355 5 20 IIBD NC(=O)c1cnc(Oc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)c(Cl)c1 301174437 LPDKYQMJYKRAEL-UHFFFAOYSA-N 437.795 4.308 5 20 IIBD O=C(NC1CC1)c1ccc(N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c([N+](=O)[O-])c1 301712023 IFAFBVNCXHXKQJ-OAHLLOKOSA-N 426.542 4.206 5 20 IIBD Cc1nn(CCC(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)c(C)c1[N+](=O)[O-] 410101420 TVCVHCZPHZNKFP-UHFFFAOYSA-N 442.413 4.304 5 20 IIBD COc1cc(OCC(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)ccc1[N+](=O)[O-] 410412243 BHNIDYFDPZSRKX-UHFFFAOYSA-N 434.754 4.215 5 20 IIBD CCc1noc(-c2ccc(CCNC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)cc2)n1 425955995 VFDKWRFLIZOVJZ-UHFFFAOYSA-N 435.484 4.124 5 20 IIBD O=C(N=c1nc(-c2ccsc2)[nH]s1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 426301213 BXRWRHHPUXALEQ-UHFFFAOYSA-N 438.490 4.428 5 20 IIBD COCCOc1ccc(CC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)cc1 428273369 CMXLHYKLSLFBEX-UHFFFAOYSA-N 427.482 4.233 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCCN(CCCc2ccccc2)CC1 431026778 YOTNIXKQRQDTGC-UHFFFAOYSA-N 446.345 4.138 5 20 IIBD O=C(c1ccc(NCC[C@@H](c2ccccc2)C(F)(F)F)c([N+](=O)[O-])c1)N1CCOCC1 432143010 KBYHSRCOWVXMNT-KRWDZBQOSA-N 437.418 4.215 5 20 IIBD Cc1nc(-c2cccc(NC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)c2)n[nH]1 436076847 RMGXJINUHUVGLG-UHFFFAOYSA-N 431.402 4.305 5 20 IIBD CC(C)(CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCc2ccccc2C1 436096708 GVXMFCPIUKYXAP-UHFFFAOYSA-N 443.522 4.387 5 20 IIBD C[C@H](c1cccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1)N1CCOCC1 436322681 ONNHDJHWARFCMW-MRXNPFEDSA-N 445.494 4.466 5 20 IIBD Cc1cc(NC(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)ccc1Oc1cccnc1 437076527 VHPPPSRPUMYVRM-UHFFFAOYSA-N 446.463 4.220 5 20 IIBD COc1ccc(CNC(=O)N2CCC(c3ccccc3Br)CC2)cc1[N+](=O)[O-] 439120475 RGAAXMDTXYMINY-UHFFFAOYSA-N 448.317 4.455 5 20 IIBD Cc1cc(N2CCC(NC(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)CC2)n[nH]1 439862149 UKUIYZSAXYZVSA-UHFFFAOYSA-N 443.573 4.307 5 20 IIBD C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 443933836 AYFJUOHXORNZEM-MRXNPFEDSA-N 443.459 4.077 5 20 IIBD COCCn1c(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)nc2ccccc21 444323391 KOVYZDGZPKFQKD-UHFFFAOYSA-N 448.429 4.208 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N(Cc1c(C)noc1C)Cc1c(C)noc1C 444893852 HBOOBKVHEODRFT-UHFFFAOYSA-N 429.433 4.047 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)Cc1noc(/C=C\c2ccc(F)cc2[N+](=O)[O-])n1 445324581 SQRBVVCIUHPRFA-XQRVVYSFSA-N 446.822 4.439 5 20 IIBD COc1cccc(Oc2ccc(CNC(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)cn2)c1 445503066 JHFVCMSKGKPLAD-UHFFFAOYSA-N 434.452 4.059 5 20 IIBD Cc1cc(NC(=O)c2ccccc2Cl)sc1-c1nc(-c2c([N+](=O)[O-])ncn2C)no1 445572239 QKCMQWKVQPXXAD-UHFFFAOYSA-N 444.860 4.321 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@H]1CCCO[C@H]1c1ccccc1 445923130 HBFPJZLBHKHBAJ-UZLBHIALSA-N 433.302 4.184 5 20 IIBD CCc1c(NC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cnn1-c1cccc(Cl)c1 446269357 MQHAZYKKHHYKNW-UHFFFAOYSA-N 439.863 4.194 5 20 IIBD Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)c12 446433450 SVUGDTIVFGTRKS-UHFFFAOYSA-N 432.411 4.444 5 20 IIBD COc1ccccc1-c1nnc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1C[C@H]1CCOC1 461590154 BCNJKFWXHFBFHL-QGZVFWFLSA-N 449.511 4.067 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCO[C@@H](C2CC2)C1 462175715 LVLCXVCNQBTNKG-NFBKMPQASA-N 446.507 4.064 5 20 IIBD CCCCN(C)C(=O)CS[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 462390010 ACHQIYPDJGYQBY-ZDUSSCGKSA-N 436.559 4.037 5 20 IIBD O=C(NCc1cc(Cl)c2c(c1)OCCCO2)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 463443676 KJRZYLNCCQZAFM-UHFFFAOYSA-N 430.766 4.358 5 20 IIBD CO[C@H](CNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(C)(C)C 465199236 QUDRMDFJQOXMHL-OAQYLSRUSA-N 436.512 4.167 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@H](c2cccc(Cl)c2)C1 469022191 PJGXIVBKQOKJFR-SFHVURJKSA-N 425.268 4.271 5 20 IIBD C[C@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(-c2ccncc2)cc1 470004272 QRXHHHBRQXRDRX-INIZCTEOSA-N 446.463 4.222 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N(C)c3ccc(-c4ccccc4)nn3)cc2)c(C)c1[N+](=O)[O-] 471999105 PEXQHGKUGITUTG-UHFFFAOYSA-N 442.479 4.190 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)c2cc(I)ccc2F)cc1[N+](=O)[O-] 474769515 SMRHVLFMJHHRFI-SNVBAGLBSA-N 428.201 4.138 5 20 IIBD Cc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c(O[C@@H]2CCOC2)c1 475192534 UFYZNWZXOJVJDO-OAHLLOKOSA-N 439.390 4.411 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(N2C(=O)CNC2=O)c1C 478264594 FWJKJMZQVUVICD-UHFFFAOYSA-N 442.497 4.104 5 20 IIBD COc1cc(C(=O)N[C@H](C)[C@H](OC)c2ccccc2Cl)c([N+](=O)[O-])cc1OC(F)F 479697540 XOXQKANIDXLFJJ-QGHHPUGFSA-N 444.818 4.364 5 20 IIBD CCO[C@H]1C[C@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C12CCCCC2 479833068 XLPHKXVLWFTSAA-IRXDYDNUSA-N 430.423 4.394 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1CN1C[C@H](C)O[C@H](C)C1 480464431 OITHVZMEQGTJPW-CALCHBBNSA-N 443.569 4.246 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N[C@@H](C)C(=O)N3Cc4ccccc4C3)c([N+](=O)[O-])c2)cc1 480849122 VRQYFJXTAHEUCK-KRWDZBQOSA-N 444.491 4.498 5 20 IIBD O=C(N[C@H](C(=O)Nc1ccccc1)c1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 482103711 LKZDAWZQVQUNRE-QHCPKHFHSA-N 444.491 4.305 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H](Cc1ccc(Cl)cc1Cl)C(C)C 482722972 LIYLHYGGTYXZRS-HNNXBMFYSA-N 427.332 4.428 5 20 IIBD Cc1nc(-c2ccc(Br)cc2)c(NC(=O)CNc2ccccc2[N+](=O)[O-])n1C 485020858 XGLXYBONGMWSOX-UHFFFAOYSA-N 444.289 4.117 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(Cl)cc1I 486878622 IQESBGGWSRIJAI-UHFFFAOYSA-N 430.629 4.091 5 20 IIBD CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 489146564 HIUGRHAWYCCLLX-KRWDZBQOSA-N 449.511 4.277 5 20 IIBD O=C(Cc1csc(-c2ccc(Cl)s2)n1)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 490347209 WGTULQYSZLTSFD-UHFFFAOYSA-N 446.901 4.400 5 20 IIBD O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1c(F)cc(F)cc1Br 490822809 RRGKWZSWPJURDH-UHFFFAOYSA-N 440.244 4.239 5 20 IIBD Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])CC3 491540902 DXCKEXQXCYCYBK-CYBMUJFWSA-N 428.286 4.434 5 20 IIBD CCN(c1cccc(F)c1)S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC 491583571 KZPBXYCTCBBJDO-UHFFFAOYSA-N 447.282 4.029 5 20 IIBD O=C(c1ccc(F)c(I)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 492961409 NVGTUTFHHFYHEA-UHFFFAOYSA-N 440.212 4.143 5 20 IIBD C[C@@H]1[C@@H](CO)CCN1C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 495215723 RRQZJIDQPUMNOZ-TZMCWYRMSA-N 437.855 4.092 5 20 IIBD CCCn1c2ccccc2c2nnc(S[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)nc21 495456067 WHXYCNBYIWBPDD-ZDUSSCGKSA-N 436.497 4.417 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3ncc(-c4ccccc4)[nH]3)cc2[N+](=O)[O-])C1 497527155 QOOLLJXHFZQYNL-IAGOWNOFSA-N 433.512 4.397 5 20 IIBD COc1ccc(NC(=O)c2coc(-c3ccc(Br)cc3F)n2)c([N+](=O)[O-])c1 498234222 DRCPHYHRFRNUGC-UHFFFAOYSA-N 436.193 4.412 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 498250335 IKPMWJMNIDSOMP-FQEVSTJZSA-N 449.454 4.302 5 20 IIBD CCNc1ccc(C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)cc1[N+](=O)[O-] 498466507 CDNVHYOZFGGMRJ-UHFFFAOYSA-N 430.464 4.482 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CC3(CCCC3)c3c(F)cccc32)cc1OC 500153362 RCPXHSHNMSGFFT-UHFFFAOYSA-N 444.459 4.240 5 20 IIBD CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H](CO)c1cccc(Br)c1 501438568 ZTEQXNWJEBIUQE-GOSISDBHSA-N 432.274 4.178 5 20 IIBD COc1cc(C(=O)N2CC[C@H](Oc3ccccc3Cl)C2)c([N+](=O)[O-])cc1OC(F)F 502315103 WPYCUGGLMALMIY-NSHDSACASA-N 442.802 4.152 5 20 IIBD Cc1nn(Cc2nc(Cc3cccc(Br)c3)no2)c2ccc([N+](=O)[O-])cc12 502913225 VIXCYYJDNLTASL-UHFFFAOYSA-N 428.246 4.038 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCCC3CCN(C)CC3)c([N+](=O)[O-])c2)c(C)c1 503983186 AAWPOWWQWDETPN-UHFFFAOYSA-N 446.573 4.156 5 20 IIBD Cc1cc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cnc1N1CCCC[C@H]1C 504844968 CGIJZNGLILOTJK-MRXNPFEDSA-N 434.500 4.330 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn23)C1 506128420 FMORBUAQJABBRM-CQSZACIVSA-N 449.433 4.435 5 20 IIBD NC(=O)Cc1ccc(N[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cc1 506281433 FUKRNENNEXVIOV-OAQYLSRUSA-N 438.871 4.068 5 20 IIBD Cn1cc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(-c2ccc3c(c2)OCCCO3)n1 507153522 CLEXCAHLPUYXSR-UHFFFAOYSA-N 434.496 4.321 5 20 IIBD CCNC(=O)c1ccc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c(C)c1 509245002 DQTZKLZCAYIMEP-MRXNPFEDSA-N 447.495 4.473 5 20 IIBD O=C(c1cccc(Cl)c1Cl)N1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 509295798 XJSCILCPKLCLAJ-UHFFFAOYSA-N 430.238 4.138 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1[N+](=O)[O-] 509850120 GAPAODCNWMYEMD-UHFFFAOYSA-N 432.274 4.154 5 20 IIBD CCOCc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)cc1 510075147 YPSIEMQKHMEOGD-UHFFFAOYSA-N 440.237 4.297 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 511975008 BIOYFCPFXKUNLE-INIZCTEOSA-N 436.434 4.076 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)c(F)c2N2CCOCC2)c1 512887027 POJQDFHSQKMFIT-UHFFFAOYSA-N 425.869 4.198 5 20 IIBD C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)COc1ccc([N+](=O)[O-])cc1 514525217 ZQSAJNPMZVFTRS-QGZVFWFLSA-N 433.464 4.446 5 20 IIBD Cc1ccccc1CN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 516323778 OTOKTCMZBXGCFY-UHFFFAOYSA-N 438.505 4.149 5 20 IIBD COc1cc(CN[C@H]2c3ccccc3CC23CCOCC3)c([N+](=O)[O-])cc1OC(F)F 518842741 CIYRCZGVZIBPLA-FQEVSTJZSA-N 434.439 4.389 5 20 IIBD CCCCc1nc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)cc2[nH]1 518907331 ZPKLYAJXUOLZOH-INIZCTEOSA-N 441.513 4.119 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CNC1(Cc2ccc(F)cc2Cl)CCOCC1 519633186 SKEIGQHRDJFLDE-UHFFFAOYSA-N 435.883 4.016 5 20 IIBD CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 520989712 DXAZNECYMLRLMQ-UHFFFAOYSA-N 444.963 4.055 5 20 IIBD CCC(CC)(CNC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)N[C@H](C)c1ccccc1 521177473 BKTCCNJHNHBIGJ-MRXNPFEDSA-N 436.512 4.488 5 20 IIBD COc1cc(C(=O)NCC(C)(C)c2ccc(OCC(C)C)cc2)c([N+](=O)[O-])cc1OC 521628056 VNFHCPIIZQWUQV-UHFFFAOYSA-N 430.501 4.354 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@H](C)C[C@H]2CCCO2)c([N+](=O)[O-])c1 523297851 SUYLSHJPGGDOPB-SJLPKXTDSA-N 433.530 4.180 5 20 IIBD COc1ccc(CC(=O)N2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)cc1[N+](=O)[O-] 523692954 FGLRWRUYZFYCOL-SFHVURJKSA-N 436.512 4.483 5 20 IIBD COc1cc(C(=O)Nc2c(C)cnn2[C@@H]2CCCc3ccccc32)c([N+](=O)[O-])cc1OC 524378293 MTUXSZSGXLWVCQ-GOSISDBHSA-N 436.468 4.295 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(F)(F)F)cc1Cl 524808973 LGLCYZHKDOVXDL-UHFFFAOYSA-N 443.809 4.345 5 20 IIBD CCOC(=O)c1sc(N(C(=O)Cc2cccc([N+](=O)[O-])c2)c2ccccc2)nc1C 525667450 NPIOBZJYWPZJHS-UHFFFAOYSA-N 425.466 4.444 5 20 IIBD CCC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1 534050097 HLOWFPRCULMONG-CYBMUJFWSA-N 439.921 4.109 5 20 IIBD C[C@@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1nc(-c2ccccc2)no1 535545958 OMIRQHNYVJZWNO-ZDUSSCGKSA-N 435.465 4.302 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1CCCN(c2ccccc2F)C1 535696383 QHDRVMRIJOXNAF-GOSISDBHSA-N 429.495 4.079 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccc(F)cc1Cl 536470122 APOIMRRUMHZESL-UHFFFAOYSA-N 440.880 4.015 5 20 IIBD O=C(NCCCNc1ncnc2ccc([N+](=O)[O-])cc12)[C@@H]1C[C@H]1c1c(F)cccc1Cl 537018802 UBYXFXILOKAFJO-ZIAGYGMSSA-N 443.866 4.052 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCOCC2)nc1C 537461662 KVLCWLYKYBIZDV-UHFFFAOYSA-N 430.530 4.279 5 20 IIBD CCOc1ccccc1-c1cccc(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 537924828 RNNRMNZKEDMQKS-LJQANCHMSA-N 432.480 4.382 5 20 IIBD O=C(CSCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)Nc1ccc(F)cc1 538627853 HCIIYKPNCCAECT-UHFFFAOYSA-N 431.367 4.063 5 20 IIBD COc1cc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc(OC)c1Br 539412828 WIIAPFVTSDDPGJ-UHFFFAOYSA-N 427.276 4.105 5 20 IIBD COc1ccccc1COC1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 539905428 SFTOJUOZPIXYQA-HNNXBMFYSA-N 448.903 4.232 5 20 IIBD COc1ccc(C(=O)NCC(=O)N(C)[C@H](C)c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] 542022609 XRXDSKHVHGJLRI-QGZVFWFLSA-N 447.491 4.220 5 20 IIBD C[C@H](C(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1ccc([N+](=O)[O-])cc1F 544444978 HLYZSKSKSVBSNC-STQMWFEESA-N 441.381 4.131 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnn1Cc1ccc(OC)cc1OC 545902303 WYFUSSBFCZJZEM-QGZVFWFLSA-N 438.484 4.064 5 20 IIBD Cc1ccc(-c2noc(C3CCN(C(=O)CCOc4ccccc4)CC3)n2)cc1[N+](=O)[O-] 546986790 MIGUXXOAUIJNSN-UHFFFAOYSA-N 436.468 4.128 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC(c2nc(Cc3ccncc3)no2)CC1 547007653 CIEOAMJUXRSKFO-UHFFFAOYSA-N 433.390 4.366 5 20 IIBD O=C(NC1CC1)c1ccc(/C=C\c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)cc1 547197443 RLBPOTPIZBECBU-KMKOMSMNSA-N 429.436 4.113 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)NCc2csc(-c3ccccc3)n2)cc1[N+](=O)[O-] 551442190 LDOYGLXZPFTMNM-UHFFFAOYSA-N 438.509 4.271 5 20 IIBD CCCOc1ccc(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c(OC(F)F)c1 556975541 VHVGSCVURDTVRG-UHFFFAOYSA-N 436.458 4.062 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1 568822217 UULHVPDSHFYSNH-UHFFFAOYSA-N 431.500 4.050 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](COCc1ccccc1)c1ccccc1 574266396 ZBALZHHQCGZPGJ-QHCPKHFHSA-N 447.491 4.170 5 20 IIBD CN(C)C(=O)C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)c2ccc(Cl)cc21 577782576 CSPOTNFGNAOZNB-GFCCVEGCSA-N 439.846 4.432 5 20 IIBD CN(C)C[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(Cl)cc1 581442208 SYPYZRUJJTZQHM-KRWDZBQOSA-N 444.841 4.369 5 20 IIBD O=C(c1ccccc1OC(F)F)N1CCC[C@@H]1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 581908911 AZABKAVNQFXPCB-OAHLLOKOSA-N 430.367 4.224 5 20 IIBD O=[N+]([O-])c1cc(CNCc2cn3ccc(Br)cc3n2)cc(C(F)(F)F)c1 583841820 MAGGODNXAPXUEJ-UHFFFAOYSA-N 429.196 4.314 5 20 IIBD CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 586865421 URWDYXMVMAPUKT-UHFFFAOYSA-N 435.358 4.062 5 20 IIBD O=[N+]([O-])c1ccc(CN(c2nnc(CCc3ccccc3)n2C[C@H]2CCOC2)C2CC2)cc1 589672299 KITGGYYPGKBJJL-OAQYLSRUSA-N 447.539 4.177 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1 591335565 IMQDGWOXKUVALG-UHFFFAOYSA-N 440.419 4.295 5 20 IIBD O=C(Nc1ncc(Cc2cc(F)cc(F)c2)s1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 603617235 MBQNRNHVLPHCNH-UHFFFAOYSA-N 441.419 4.358 5 20 IIBD CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 603941387 MAWXDZIGIQNLPM-UHFFFAOYSA-N 440.433 4.481 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl 604445804 NDKMOPCDCHHNPU-VIFPVBQESA-N 446.674 4.077 5 20 IIBD CC[C@@H](NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-])c1nc(C)cs1 609191800 IEYUHOJWEBWIHN-CQSZACIVSA-N 448.526 4.285 5 20 IIBD O=C(Nc1ccc(-c2nc3cc(F)ccc3[nH]2)cc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 609263335 OOANAXMMJQJDIZ-UHFFFAOYSA-N 443.398 4.110 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)NC1CCN(C[C@H]2CCOC2)CC1 609930628 WCDMXSDQURMGIX-QGZVFWFLSA-N 440.500 4.010 5 20 IIBD Cc1cc(CNC(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)n[nH]1 610026114 OATOSDPFHBQWPI-UHFFFAOYSA-N 433.827 4.211 5 20 IIBD O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)c1ccc([N+](=O)[O-])cc1Br 610062766 ZBFNEMMNWXZRQD-ZDUSSCGKSA-N 438.347 4.061 5 20 IIBD CS(=O)(=O)[C@@H]1CCC[C@@H](NCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 610137668 VUISACOWQIXORN-SJLPKXTDSA-N 438.933 4.486 5 20 IIBD COc1ccc2c(c1)OCC[C@H]2NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 610234100 FOLIAUDYTDPHLH-JOCHJYFZSA-N 433.464 4.469 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1OC1CCCC1 610904471 MBXXEBBEBRPMML-UHFFFAOYSA-N 443.475 4.133 5 20 IIBD Cc1sc(S(=O)(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] 613469715 PCWNOFCNQIFZCG-BRPSZJMVSA-N 440.387 4.153 5 20 IIBD CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 725750667 ODDOTGDAKCTMDY-SFHVURJKSA-N 446.548 4.057 5 20 IIBD O=C(COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1Cl 725937740 SHSNBGYBXZDCCA-UHFFFAOYSA-N 438.692 4.341 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C 726521299 VIXAXVVDZKPCHQ-UHFFFAOYSA-N 433.486 4.002 5 20 IIBD Cc1ccc(NC(=O)c2cccc(OS(=O)(=O)c3c(C)cccc3[N+](=O)[O-])c2)cc1 727460553 KEHUBEINTXJYMI-UHFFFAOYSA-N 426.450 4.232 5 20 IIBD O=C(OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1csc(-c2ccccc2Cl)n1 727562883 ABDKSTUMPRYVSX-UHFFFAOYSA-N 443.868 4.118 5 20 IIBD CCSc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cn1 727925232 YKTGGERCSTZFHH-JTQLQIEISA-N 443.403 4.305 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)cc1SC 728657875 RCDQKZSPKHLOQQ-NSHDSACASA-N 438.889 4.471 5 20 IIBD Cc1ccccc1-n1cc(C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)cn1 732628204 PNCYLINAUPZPOC-UHFFFAOYSA-N 446.467 4.190 5 20 IIBD Cc1ccc(NC(=O)COC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c(Cl)c1 735007840 RFHLTXGVJDHRBG-UHFFFAOYSA-N 427.240 4.161 5 20 IIBD CC(=O)N(Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1)C(C)C 735017632 BAQZUEUFRJQGEF-UHFFFAOYSA-N 428.445 4.129 5 20 IIBD CN(C)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1Cl 735059693 CJPHZSXAPGXPMQ-UHFFFAOYSA-N 446.935 4.431 5 20 IIBD Cc1nc(-c2ccsc2)ccc1C(=O)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 735350454 XMTKFBOOEAPHEF-UHFFFAOYSA-N 439.449 4.182 5 20 IIBD COC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)c1cccc(C(F)(F)F)c1 735639034 WXSZDLMTYUMPSJ-OAHLLOKOSA-N 447.207 4.494 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2cc(-c3ccccc3Br)no2)cc1[N+](=O)[O-] 736681727 XXQSWMHIRNQVPD-UHFFFAOYSA-N 447.201 4.481 5 20 IIBD CC(C)(C)OC(=O)NCc1cccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 739381310 FZNLNRKAMRDXJN-UHFFFAOYSA-N 441.893 4.074 5 20 IIBD COCC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F 741174455 BRABLWMINHCVAD-LBPRGKRZSA-N 443.244 4.469 5 20 IIBD COCC[C@H](Cc1cccc(Br)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1F 741174963 ATQLAFZXFBRJAV-CYBMUJFWSA-N 425.254 4.330 5 20 IIBD CC(C)(C)c1cc(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)no1 742051293 QHPCMVFVBLPQEY-MRXNPFEDSA-N 429.473 4.122 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 742396188 LIEZXWASKDGFDA-UWVGGRQHSA-N 427.301 4.119 5 20 IIBD CCc1cnc(COC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)o1 744590783 AQJGATALIXADRU-UHFFFAOYSA-N 432.436 4.284 5 20 IIBD O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1nn(Cc2ccccc2)c(=O)c2ccccc12 746056530 NXMGSORLZZUSAB-UHFFFAOYSA-N 449.850 4.363 5 20 IIBD C[C@H](c1ccccc1)[C@](C)(O)C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 747350118 MUMMXOOWOXLQHX-GYCJOSAFSA-N 434.448 4.307 5 20 IIBD COc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1OC(F)F 748617085 FQFCLCMUGPQAEY-UHFFFAOYSA-N 439.371 4.002 5 20 IIBD O=C(CSc1nc2cc(C(F)(F)F)ccc2s1)NC(=O)c1cccc([N+](=O)[O-])c1 753854966 SXOVPLMRIKTTMS-UHFFFAOYSA-N 441.412 4.272 5 20 IIBD COc1ccc(CN(C)C(=O)[C@H](OC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C(C)C)cc1 755069953 ZHNLJUPSXIUVCV-YCRPNKLZSA-N 446.475 4.072 5 20 IIBD Cc1cc(F)cc(C(=O)Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)c1[N+](=O)[O-] 758464099 AACPLBNQSCJIBO-UHFFFAOYSA-N 433.439 4.426 5 20 IIBD CC(C)(C)OC(=O)NC[C@](C)(NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 759608956 MBMQADWYRIUEOY-IBGZPJMESA-N 444.435 4.011 5 20 IIBD Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 759672764 DYIILHQHCHRWRD-SFHVURJKSA-N 433.940 4.498 5 20 IIBD Cc1c(Cl)cccc1NC(=O)CCNC(=O)c1cccc([N+](=O)[O-])c1Br 760809928 CBNUVDYZUBTMFF-UHFFFAOYSA-N 440.681 4.078 5 20 IIBD CC1CCN(c2ccc(C(=O)NC[C@@H](O)c3ccc(Cl)c(F)c3)cc2[N+](=O)[O-])CC1 763215802 NMOTWAHCBBDYTC-HXUWFJFHSA-N 435.883 4.087 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1noc(-c2ccc(Cl)cc2)n1 763810442 NPBSJLUBLOEFLJ-UHFFFAOYSA-N 449.872 4.394 5 20 IIBD COC(=O)Cc1sc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)nc1-c1ccccc1 764208773 ANKGCOOKDUEFQS-UHFFFAOYSA-N 431.857 4.340 5 20 IIBD O=C(Nc1cccc(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1)c1ccccn1 765252689 VTWKPLVSGHNLFG-UHFFFAOYSA-N 431.496 4.001 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 765841589 RCCFIEFEYRPKTO-MJGOQNOKSA-N 447.557 4.206 5 20 IIBD O=C(Nc1ccc(Sc2ccncc2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 772219387 CBMFENUFBSHFIQ-UHFFFAOYSA-N 436.493 4.230 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCCN(C)CC2)cc1 775482171 UBNIDLVTINPDRI-UHFFFAOYSA-N 428.558 4.490 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)ccc1Cl 776751772 GFWGORHYDZXLKR-UHFFFAOYSA-N 430.829 4.252 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)c1cccc(SC)c1[N+](=O)[O-] 777074672 ZEXLQFMAGBCSGO-LLVKDONJSA-N 438.889 4.471 5 20 IIBD CCCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)OC)c([N+](=O)[O-])c2)cc1Cl 777612322 VBKNUTMOTGJROC-UHFFFAOYSA-N 443.865 4.016 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(N(C)C(=O)OC(C)(C)C)cc1 778011312 ZHCXZVAOZYSBHY-UHFFFAOYSA-N 440.449 4.181 5 20 IIBD CC(C)(C)Sc1cc(C(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)ccn1 779202872 PCTWQMBZDOKKAI-UHFFFAOYSA-N 430.530 4.349 5 20 IIBD COc1cc(COC(=O)c2cccc(Cl)c2[N+](=O)[O-])c([N+](=O)[O-])cc1OCC(F)F 780067533 VXBTVLNHQNIDQS-UHFFFAOYSA-N 446.746 4.166 5 20 IIBD COC(=O)C[C@H]1CN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c2ccccc21 780786079 FQMNTDGWYDFDOQ-ZDUSSCGKSA-N 448.425 4.267 5 20 IIBD CC(=O)Nc1ccc(OC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c(F)c1 780818627 LQZKNEGBRNZSBF-UHFFFAOYSA-N 426.350 4.276 5 20 IIBD CC(C)(C)c1ccccc1NC(=O)COC(=O)c1cccc([N+](=O)[O-])c1Br 781677042 BFDBBKFXELGQBR-UHFFFAOYSA-N 435.274 4.450 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 783032766 NBZUIRKESGCPIS-DLBZAZTESA-N 432.521 4.105 5 20 IIBD O=C1C[C@@H](c2ccccc2F)CN1CN(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 783971797 BYHYQJVLLXYTHI-OAHLLOKOSA-N 425.382 4.072 5 20 IIBD COc1cc(C(=O)OCc2c(C)nn(-c3ccccc3)c2C)c([N+](=O)[O-])cc1OC(F)F 786664510 BTRLNCFDVLDYBG-UHFFFAOYSA-N 447.394 4.364 5 20 IIBD C[C@@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1nnnn1C1CCCCC1 787677298 HGVSHNJIWXMEDA-GFCCVEGCSA-N 428.474 4.128 5 20 IIBD CC(C)(NC(=O)c1nc(Br)ccc1Br)c1ccc([N+](=O)[O-])cc1 790739003 NHPMCWPHYDSJIF-UHFFFAOYSA-N 443.095 4.180 5 20 IIBD Cc1nc2cc(C(=O)N3CCCC[C@H]3CCOC(=O)c3cccc([N+](=O)[O-])c3)ccc2o1 792066673 PUPABFPRKJVFHT-SFHVURJKSA-N 437.452 4.286 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1occc1CSc1ccccc1 792737069 GGIIVVLIRITUFO-UHFFFAOYSA-N 442.449 4.284 5 20 IIBD O=C1CC(C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)(c2cccc(Cl)c2)C1 798684826 AIKZXVYBPKTVLZ-UHFFFAOYSA-N 426.812 4.247 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 800144162 NDXXFNCPEIYRGW-UHFFFAOYSA-N 435.411 4.210 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)Nc1ccc(CN2CCc3ccccc32)cc1 800628988 HTIROUUNYUZCFH-UHFFFAOYSA-N 448.454 4.182 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)Cn1nc(-c2ccc(F)cc2)c2ccccc2c1=O 800865992 OEJAJTMPYPJYCY-UHFFFAOYSA-N 432.455 4.243 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-])c1ccccn1 801091271 RVROAXFRKZLAPB-MRXNPFEDSA-N 449.467 4.386 5 20 IIBD CC[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1I)c1ccc(F)cn1 803047930 DUQTYEPOCMXZPY-AWEZNQCLSA-N 430.173 4.042 5 20 IIBD O=C(OCc1c(F)cc([N+](=O)[O-])cc1F)c1cn(-c2ccc(Br)cc2)cn1 803407681 MVXUZLMUKVKORI-UHFFFAOYSA-N 438.184 4.178 5 20 IIBD Cc1nc(-c2ccccc2)[nH]c1C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 803545831 OFXYHXNATCLTBT-UHFFFAOYSA-N 441.285 4.254 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)c(Cl)cc1Cl 809832747 SGFNFAPDLVEVGR-BLLLJJGKSA-N 431.297 4.100 5 20 IIBD C[C@H](N[C@@H](C)c1ccc(N2CCCCC2=O)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 810127742 FPYAJQPTILIKDJ-GJZGRUSLSA-N 444.919 4.443 5 20 IIBD CCOc1ccc(C(=O)N2CCC([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1[N+](=O)[O-] 810945420 IGUDCUCCJROQSB-SFHVURJKSA-N 447.532 4.103 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)CC2)C1 810949402 PDKYSHPIPBGOFT-WMHRWZGDSA-N 429.517 4.104 5 20 IIBD C[C@@H](C(=O)OC[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)c1cccc([N+](=O)[O-])c1 813157670 OBXYUQYZRUPONS-UKRRQHHQSA-N 428.432 4.134 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CC3(CCC3)[C@H]2c2ccccc2)c(C)c1[N+](=O)[O-] 814399636 WOGXUSLJVGTGNL-LJQANCHMSA-N 431.470 4.036 5 20 IIBD C[C@H](N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(N2CCCOC2=O)cc1 814657291 OBXILNJLHOTKDS-GJZGRUSLSA-N 437.456 4.403 5 20 IIBD Cc1cc(Cl)c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1[N+](=O)[O-] 815406786 VOBRBDVWHVHULF-SECBINFHSA-N 442.211 4.302 5 20 IIBD O=C(COC(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1)Nc1cccc([N+](=O)[O-])c1 818117754 GRBPFIDAEZKNGN-SJORKVTESA-N 437.477 4.436 5 20 IIBD COc1ccc(CCC(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1Cl 818173860 BVVKDQQVTTWQGN-UHFFFAOYSA-N 427.240 4.025 5 20 IIBD CN(Cc1cnn(C)c1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 818953528 JXAXXLBLIYWTJQ-UHFFFAOYSA-N 447.539 4.060 5 20 IIBD O=C(NCc1nc(-c2ccsc2C(F)(F)F)no1)c1c(Cl)cccc1[N+](=O)[O-] 904923801 YXOBCFYCKPHNOG-UHFFFAOYSA-N 432.767 4.309 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1)c1ccccc1 915811497 VRVJFFFNCIFEAW-UHFFFAOYSA-N 428.404 4.252 5 20 IIBD CCCN1C(=S)N[C@@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)Nc2cccnc2Cl)=C1C 917372876 AWVBMFRDONHVFI-KRWDZBQOSA-N 445.932 4.197 5 20 IIBD O=C(COc1ccccc1-c1ccccc1)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 918837907 KTLLULYRSCSJMZ-UHFFFAOYSA-N 431.404 4.434 5 20 IIBD CN(c1ccccc1)c1ccc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cn1 919210467 MAUSEQYVQNRIRU-UHFFFAOYSA-N 440.843 4.207 5 20 IIBD COc1ccc(-c2nn(CN(Cc3ccc([N+](=O)[O-])cc3)C(C)C)c(=S)n2C)cc1 919950459 OBGLXKBADICGAS-UHFFFAOYSA-N 427.530 4.403 5 20 IIBD COCCNC(=O)c1cccc(NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c1 1117137633 KVRNNOUXENYCFZ-UHFFFAOYSA-N 429.860 4.497 5 20 IIBD COc1cccc2cc(CNc3cnn(-c4ccc([N+](=O)[O-])cc4)c(=O)c3Cl)oc12 1318225631 DMHHTAMFCQFJRX-UHFFFAOYSA-N 426.816 4.161 5 20 IIBD C[C@@H](OC(=O)c1ccc(Cn2cccc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 1318264414 NZQUXXSUIRPZOB-CQSZACIVSA-N 427.844 4.282 5 20 IIBD Cc1cccc(-c2nnc([C@@H](C)OC(=O)c3cc(Br)cc([N+](=O)[O-])c3N)o2)c1 1321372587 ZZFNAUJZVDHERU-SNVBAGLBSA-N 447.245 4.216 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3nc4ccccc4o3)CCC2)cc1)c1ccc([N+](=O)[O-])o1 1785751041 JRLNZTJLWMPPHY-UHFFFAOYSA-N 446.419 4.391 5 20 IIBD CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(F)cc([N+](=O)[O-])c3)[nH]n2)CCCC1 1814531205 LXPIESRDJNIXHP-GOSISDBHSA-N 443.479 4.343 5 20 IIBD CC(C)[C@H]1CC[C@H](C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccccc3[N+](=O)[O-])C2)CC1 1847058308 GRJWXPWYHIRADI-UYDWFISKSA-N 439.556 4.274 5 20 IIBD C[C@H](OC(=O)c1ccc(Br)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 3508655 PRESQHVCMXUDHA-VIFPVBQESA-N 427.638 4.195 5 20 IIBD C[C@@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1 9848905 MZCNMQYBHLHWOS-SECBINFHSA-N 427.638 4.195 5 20 IIBD COc1ccc(Cc2nnc(S[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)o2)cc1 11649221 IUVGIXKLIKITOR-LLVKDONJSA-N 448.888 4.350 5 20 IIBD Cc1csc(Sc2ccc(C(=O)O[C@H](C(N)=O)c3ccc(F)cc3)cc2[N+](=O)[O-])n1 11737767 OEZUUOMZQNIDFG-INIZCTEOSA-N 447.469 4.033 5 20 IIBD O=C(c1cc(-c2ccco2)nc2ccccc12)N1CCN(c2ccccc2[N+](=O)[O-])CC1 15382330 GYWBPRAGYTWGLL-UHFFFAOYSA-N 428.448 4.365 5 20 IIBD Cc1ccc(NC(=O)CN(C)C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 15917054 PAXGSZBABNYSJY-UHFFFAOYSA-N 441.431 4.111 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)Cc2coc3cc(C)c(C)cc23)c([N+](=O)[O-])c1 17008059 BONDYAKKIAQYCW-CQSZACIVSA-N 426.425 4.079 5 20 IIBD O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 19825563 ZIOJDSXHNNPVFU-UHFFFAOYSA-N 431.477 4.272 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccccc1Br 22668011 ZCZMQDDSZKDFBP-VIFPVBQESA-N 427.638 4.195 5 20 IIBD CN(C)C(=O)COc1ccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1 25656996 UWJHFWDXEJBCJM-UHFFFAOYSA-N 434.452 4.058 5 20 IIBD Cc1nnc(COC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)o1 26426743 MIQWWVNOFCVLAR-UHFFFAOYSA-N 428.451 4.404 5 20 IIBD CCOc1ccc(C(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)cc1[N+](=O)[O-] 28416025 ZZHZDZBKANTTJR-GOSISDBHSA-N 435.883 4.353 5 20 IIBD Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 59775507 GIHHFBJDUNVCOT-HOTGVXAUSA-N 425.485 4.039 5 20 IIBD CCCCn1c(Sc2ccc(C(=O)NC)cc2[N+](=O)[O-])nc2sc(C)c(C)c2c1=O 64904889 UUGPTWCLIGRKHH-UHFFFAOYSA-N 446.554 4.294 5 20 IIBD Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 71976406 SPYPZBHAJHCTER-OKILXGFUSA-N 440.456 4.182 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1Oc1cccnc1 108944250 NBGUEJJDKOHWNH-UHFFFAOYSA-N 434.452 4.179 5 20 IIBD C[C@@H](CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)CN1CCCCC1 109116836 JGOBPMKNMFVZSG-ROUUACIJSA-N 425.533 4.015 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CNCCCN3CCN(c4ccccc4)CC3)cs2)c1 238006147 XVHYYMZWNROSAO-UHFFFAOYSA-N 437.569 4.020 5 20 IIBD COc1ccc([C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)c2cccc(S(C)(=O)=O)c2)cc1 301459386 IOPMIBYKXIDXDQ-LJQANCHMSA-N 447.900 4.257 5 20 IIBD O=c1c(Cl)c(N[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)cnn1-c1ccc([N+](=O)[O-])cc1 302018958 MVKIBDYHBVVXGQ-LPHOPBHVSA-N 448.813 4.014 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(CSCc2ccccc2)c1 409455500 XNHXEIFWHMEQAB-UHFFFAOYSA-N 435.505 4.283 5 20 IIBD C[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCCN(C2CCC2)C1 426189107 YEDTWCLLAMRAQB-DZGCQCFKSA-N 428.455 4.066 5 20 IIBD CC1CCN(Cc2ccc(CNC(=O)COc3ccc([N+](=O)[O-])c4cccnc34)cc2)CC1 427916285 VXEJOQCQNODGAR-UHFFFAOYSA-N 448.523 4.070 5 20 IIBD CN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 428707047 GPVOTHAWEJIVNF-RXVVDRJESA-N 442.947 4.417 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCc2ccc3c(c2)COC3)c([N+](=O)[O-])c1 432051233 TXPQFLGZAZDCMW-UHFFFAOYSA-N 432.432 4.255 5 20 IIBD COc1cc(CN(C)Cc2cn3c(n2)CCCC3)ccc1OCc1ccc([N+](=O)[O-])cc1 432785385 LESDHFJFQJIZNK-UHFFFAOYSA-N 436.512 4.347 5 20 IIBD C[C@]1(CCc2ccccc2)CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C1 434234891 FUQZDADWAWHINH-JPYJTQIMSA-N 441.553 4.132 5 20 IIBD O=C(NCc1nccn1CCCc1ccccc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 434379929 NIGRWYCTQHFYFW-UHFFFAOYSA-N 447.520 4.478 5 20 IIBD CC[C@](C)(COc1ncccc1Cl)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 435456646 BGWAJGDEXLAZOM-JOCHJYFZSA-N 446.935 4.224 5 20 IIBD Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C 436350348 UZLBRBVPQIOSSH-QGZVFWFLSA-N 433.390 4.216 5 20 IIBD CCCC(=O)Nc1cccc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1C 438670522 LACYIHWCFCRBTM-UHFFFAOYSA-N 440.500 4.018 5 20 IIBD CO[C@H]1CCN(C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)[C@H](C)C1 441445405 VXRISNWWOIPOAD-ZBFHGGJFSA-N 428.510 4.187 5 20 IIBD O=C(N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1(Cc2ccc(C(F)(F)F)cc2)CC1 444021153 NDCMUTOONHMZPM-INIZCTEOSA-N 434.418 4.044 5 20 IIBD Cn1cnc(-c2cccc(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)c2)n1 444304500 XJQIVYAJPXLBQG-UHFFFAOYSA-N 431.402 4.007 5 20 IIBD C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444630284 GFAUQUJNTJFHJO-NSHDSACASA-N 441.900 4.470 5 20 IIBD O=C(NCc1ncc(-c2ccccc2)[nH]1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444642961 YODFLKWBISXNLA-UHFFFAOYSA-N 430.414 4.280 5 20 IIBD O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)c1sc(Br)cc1[N+](=O)[O-] 445177092 WIZZSTGKXVRKCA-WFASDCNBSA-N 425.304 4.317 5 20 IIBD O=C(Cc1noc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1)Nc1ccccc1F 445307567 MZQISXVXZRAFLA-UHFFFAOYSA-N 425.401 4.089 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC(c2nc(-c3ccc([N+](=O)[O-])s3)no2)CC1 445475057 WMEODTDWYZKMKK-UHFFFAOYSA-N 448.888 4.388 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc([C@H]3CCCN(Cc4cccc(F)c4)C3)n2)c1 445578201 DGJVYOWCIPGYSI-INIZCTEOSA-N 426.448 4.096 5 20 IIBD Cn1ncc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C(F)(F)F 446370759 TXNZMMGFEZBLNT-UHFFFAOYSA-N 428.314 4.097 5 20 IIBD COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 446428211 QHCSTKOUPDJJKR-QGZVFWFLSA-N 447.329 4.137 5 20 IIBD C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ncc(-c2ccccc2)o1 447018872 AMMKJUTWNOMEBW-LLVKDONJSA-N 441.387 4.308 5 20 IIBD COc1cc(C(=O)NC[C@H](C)Oc2cccc(Cl)c2)c([N+](=O)[O-])cc1OC(F)F 460423640 CRUKSSTYOZBHJI-JTQLQIEISA-N 430.791 4.056 5 20 IIBD CC(C)c1ccc(C[C@@H]2CCN(C(=O)CSc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)cc1 461161834 NUCZKQJDOFSTJT-KRWDZBQOSA-N 441.553 4.000 5 20 IIBD Cc1cccnc1-c1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1C[C@H]1CCOC1 461557740 NLWWCBGKGOSWPH-LJQANCHMSA-N 436.516 4.008 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H](n3cc(Cl)cn3)C2)cc1 461637223 UBIUNKIDZPXCSK-MRXNPFEDSA-N 442.859 4.333 5 20 IIBD CS(=O)(=O)c1ccc(N[C@H]2C[C@H](c3ccc(Br)cc3)C2)c([N+](=O)[O-])c1 461865144 NXHCQBOMJPECRS-MQMHXKEQSA-N 425.304 4.119 5 20 IIBD Cc1cc(C(=O)N2CCSCC2)ccc1NCc1cc([N+](=O)[O-])ccc1OC(C)C 462251130 ZIZMJRDGCDJLLG-UHFFFAOYSA-N 429.542 4.492 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC(=O)Nc1ccc(Br)cc1 462427584 MWXIXWPLQPVOEI-HNNXBMFYSA-N 448.317 4.071 5 20 IIBD COc1cc(CN2C(=O)[C@@H](c3ccccc3)N(Cc3ccccc3)C2=O)c([N+](=O)[O-])cc1F 463446518 UCJYCWWSKIGERD-JOCHJYFZSA-N 449.438 4.448 5 20 IIBD CS(=O)(=O)c1cccc([C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c2ccccc2)c1 464357841 FDJATFSUPFKUGA-HXUWFJFHSA-N 444.896 4.171 5 20 IIBD Cc1nc(NC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)ccc1-c1ccccc1 464661708 KNPLKTFVEZARRM-UHFFFAOYSA-N 441.447 4.072 5 20 IIBD C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 466894936 XAEYBJOKJSHHJB-NJAFHUGGSA-N 427.526 4.056 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@H]2N(C)CCCC2(C)C)cc1[N+](=O)[O-])c1ccccn1 468464595 CBQNCNUUNPKXME-HRAATJIYSA-N 425.533 4.013 5 20 IIBD COc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1 469122863 JUQQLHUTNAKBJJ-UHFFFAOYSA-N 442.493 4.003 5 20 IIBD CN(Cc1ccc(Br)cc1Cl)C(=O)NCCc1ccccc1[N+](=O)[O-] 470363847 QRJQASPLJNXKDD-UHFFFAOYSA-N 426.698 4.395 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(CC(=O)N(C)c2ccccc2)cc1 470833308 TVTLQPRSVKGFAP-UHFFFAOYSA-N 433.464 4.451 5 20 IIBD O=C(Nc1cc(Br)ccc1NC1CC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 471144928 VAMKASAUJVAOEP-UHFFFAOYSA-N 442.273 4.370 5 20 IIBD O=C(Nc1cc(-c2ccccc2)ns1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 475488599 SLYSONAXPIXPAF-CQSZACIVSA-N 428.495 4.023 5 20 IIBD COC(=O)COc1ccc(CN(C)[C@@H](C)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 475563771 WAORPRTUMYZFRT-ZDUSSCGKSA-N 426.391 4.358 5 20 IIBD C[C@@H]1CCC[C@H](n2c(SCc3c([N+](=O)[O-])ncn3C)nc3ccccc3c2=O)[C@@H]1C 476478928 BVOXMOFOHXRYFK-CPUCHLNUSA-N 427.530 4.328 5 20 IIBD COc1cc(C)c([C@@H](C)NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1OC 478374671 UBRXBKZSHZKBSC-LLVKDONJSA-N 440.399 4.021 5 20 IIBD CC(=O)Nc1sc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)nc1-c1ccccc1 479358352 MCBMZCSDRCMSNU-UHFFFAOYSA-N 435.465 4.339 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 480566512 KCIZWKKOBCDEQL-KRWDZBQOSA-N 447.601 4.454 5 20 IIBD O=C(Nc1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cn1)c1ccccc1 485903538 FOGIZQNZJMBUKC-UHFFFAOYSA-N 447.270 4.318 5 20 IIBD O=C(NCc1nc(CNc2ccc([N+](=O)[O-])cc2Br)cs1)c1ccccc1 487085767 JLHULIHBIUUHND-UHFFFAOYSA-N 447.314 4.356 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCc2ccc(Br)cc21 487518772 XPQORPIOQRUWAO-SNVBAGLBSA-N 425.666 4.367 5 20 IIBD O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCn2c(nnc2C(F)(F)F)C1 488205085 SVOFDOKAZLHJBI-UHFFFAOYSA-N 449.414 4.012 5 20 IIBD C[C@@H](Sc1nnc(Cc2c(F)cccc2Cl)o1)C(=O)Nc1cccc([N+](=O)[O-])c1 488816972 OFKOMYTZULSSML-SNVBAGLBSA-N 436.852 4.480 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1[N+](=O)[O-] 493985957 QQZCWFMBYFCMTN-SNVBAGLBSA-N 429.782 4.391 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN3CCO[C@@H](c4ccc(OC(F)F)cc4)C3)o2)c1 499244187 HXFYBDJVURLZRX-HXUWFJFHSA-N 445.422 4.467 5 20 IIBD CCC(=O)N[C@@H]1CCCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 499532304 IAULRNNDHQTFCO-QGZVFWFLSA-N 427.526 4.185 5 20 IIBD CCOC[C@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 505159848 SEHWXNSNFXWBDL-INIZCTEOSA-N 442.537 4.436 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCN[C@@H](c3cccc(F)c3)C2)cc1[N+](=O)[O-])c1ccccn1 505542015 DWEDONZYBBWRIL-OPAMFIHVSA-N 449.486 4.089 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CC[C@@]4(CCCN(C)C4)C3)cc2[N+](=O)[O-])n1 505652994 AADBYWNIJWVHCF-HXUWFJFHSA-N 432.571 4.069 5 20 IIBD Cn1c(-c2cc3c(s2)CCCCCC3)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 507949214 KQDVVAFDNJAWJW-UHFFFAOYSA-N 441.561 4.149 5 20 IIBD COCCC[C@H](c1ccc(Cl)cc1)c1noc(CCn2nc(C)c([N+](=O)[O-])c2C)n1 508679563 MPTQOACLHQVXMA-QGZVFWFLSA-N 433.896 4.246 5 20 IIBD CC[C@H](C)c1ncc(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)cn1 510763407 BQOXSNFYNXSLGC-VIFPVBQESA-N 440.241 4.064 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(N[C@H]3CCN(c4cccc(OC(F)(F)F)c4)C3)cc2N1 511659046 OLSGBGQLHRPOMW-ZDUSSCGKSA-N 436.390 4.069 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 512207792 WAQKYGXASHXXOM-CVDCTZTESA-N 426.516 4.439 5 20 IIBD C[C@H](Nc1nc2sccn2c1[N+](=O)[O-])c1cc2c(cc1Br)OCCO2 513697925 UJWWBTAMNAFITQ-QMMMGPOBSA-N 425.264 4.011 5 20 IIBD Cc1ccc(-c2noc(-c3cccnc3S[C@@H](C)C(=O)N3CCCC3)n2)cc1[N+](=O)[O-] 515537783 SMQOHPSWEJGQPE-AWEZNQCLSA-N 439.497 4.118 5 20 IIBD CCOc1ccc(CN(CCCn2ccnc2)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1 517857547 KIEBJNIEHQWREB-UHFFFAOYSA-N 447.495 4.404 5 20 IIBD CCOc1ccc(CNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])cc1 517963188 QCXXOHJUWHISQB-UHFFFAOYSA-N 427.482 4.406 5 20 IIBD CCN(CC)CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cccc(Br)c1 518285773 VNYYSJSRVMZUNY-UHFFFAOYSA-N 438.297 4.485 5 20 IIBD C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)c2)C1 520126851 IKGYRPBUZCRKRY-VGSWGCGISA-N 439.512 4.449 5 20 IIBD COc1ccc2c(C)cc3nnc(S[C@H]4CCN(c5cccc([N+](=O)[O-])c5)C4=O)n3c2c1 520224880 DZYOBUPBUPCSCP-IBGZPJMESA-N 449.492 4.005 5 20 IIBD CC[C@@H](C)[C@H](NC(=O)c1csc([N+](=O)[O-])c1)C(=O)N1CCC(Cc2ccccc2)CC1 521712267 IEHCQBLLBLRGPF-IERDGZPVSA-N 443.569 4.282 5 20 IIBD CCOC(=O)c1cc(C(=O)N[C@@H](Cc2ccc(C)cc2)c2ccccn2)cc([N+](=O)[O-])c1 522333973 CIOBKAANSABLJA-QFIPXVFZSA-N 433.464 4.189 5 20 IIBD CC(C)N1CCC(N(C)C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 523014101 ITWKPCIABUZEGH-QGZVFWFLSA-N 425.533 4.108 5 20 IIBD Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 524621476 GFEKWHRQCFNEDO-INIZCTEOSA-N 427.507 4.272 5 20 IIBD C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br 524865857 LOJFWBUKQWNCEY-OAHLLOKOSA-N 432.318 4.094 5 20 IIBD C[C@H](O)CN(Cc1ccccc1)C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 524990086 FMUFWPKYSFFFBZ-ZWKOTPCHSA-N 434.496 4.186 5 20 IIBD COc1ccc([C@H](OC)[C@H](C)NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 536774630 ATGQOLUQWUZWFH-MRDQGFSESA-N 430.504 4.056 5 20 IIBD CCOCCN(C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 537858129 VBJLTMRIEGIBKD-GOSISDBHSA-N 436.306 4.005 5 20 IIBD C[C@H](c1nc(-c2ccccc2)no1)N1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 539992386 AXFNRECGMWDCOF-CQSZACIVSA-N 445.426 4.129 5 20 IIBD C[C@H](C(=O)NCc1ccc(OCCOc2ccccc2)nc1)c1ccc([N+](=O)[O-])cc1F 541609675 BWDLNUZPIVYLAL-INIZCTEOSA-N 439.443 4.007 5 20 IIBD CC[C@](C)(CO)NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 541993949 YZXXBNVCVMTGRU-MCZSENPKSA-N 425.510 4.412 5 20 IIBD Cc1nc2ccc(-c3noc(-c4nn(-c5ccccc5[N+](=O)[O-])c(C)cc4=O)n3)cc2s1 545007531 CGUHDEYXGKURRA-UHFFFAOYSA-N 446.448 4.084 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(F)c(-c3nnc4n3CCCCC4)c2)c1 549212450 NEFRJOWAMFXVQT-UHFFFAOYSA-N 439.447 4.370 5 20 IIBD COc1cccc(OC(F)(F)F)c1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 553578318 FEGQISMJJWXDNV-UHFFFAOYSA-N 438.280 4.451 5 20 IIBD CCc1c(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cnn1-c1ccc(C(F)(F)F)cc1 555498783 GTSHSRXFXLJMHO-UHFFFAOYSA-N 448.357 4.343 5 20 IIBD CC1CCN([C@H](CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])c2cccs2)CC1 561433924 DOFALJYZGMNTRR-HXUWFJFHSA-N 430.574 4.313 5 20 IIBD O=C(NCc1ccncc1C(F)(F)F)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 561922612 PKODDKAQLDDCBC-UHFFFAOYSA-N 433.336 4.303 5 20 IIBD C[C@@H](C(=O)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn23)C1)c1cccc([N+](=O)[O-])c1 574229773 SWKRIBGKXRAMFH-UKRRQHHQSA-N 447.417 4.166 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)Oc1cc(F)cc(F)c1 575344347 BLCOZZIAGVZOHW-UHFFFAOYSA-N 440.468 4.199 5 20 IIBD Cc1cccc(CNC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1Br 580056051 OJURXTLYWOXAIC-UHFFFAOYSA-N 448.317 4.218 5 20 IIBD COCCOc1c(Cl)cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Cl 588838213 GCNJHICFEHCHDF-UHFFFAOYSA-N 435.285 4.036 5 20 IIBD CCC[C@@H](NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(F)cc1F 589027351 GJRFTGYCWKREMN-HXUWFJFHSA-N 431.439 4.022 5 20 IIBD CCOC(=O)c1sc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)nc1C 603467535 NJECWGQMYOYAKF-UHFFFAOYSA-N 440.481 4.401 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1nc2c(s1)CCN(Cc1ccccc1)C2 603672671 TUMMMWPOGGIUHT-UHFFFAOYSA-N 437.525 4.050 5 20 IIBD CCO[C@@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 604427938 MIEAGNLCFCAUBG-MRXNPFEDSA-N 428.510 4.189 5 20 IIBD C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 604476860 SNCIWTLGMYGNOM-MRXNPFEDSA-N 449.536 4.065 5 20 IIBD COc1ccccc1CN(Cc1cccs1)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 608932790 WWBPQDAZEVBQAA-UHFFFAOYSA-N 440.477 4.279 5 20 IIBD COc1ccc(C[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])c2ccccc2)cc1OC 608949020 PESNJHCJXJREOJ-LJQANCHMSA-N 436.464 4.091 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)cc1[N+](=O)[O-] 609319787 LIPIOXUPLVXGEE-KRWDZBQOSA-N 449.287 4.111 5 20 IIBD CC(C)(C)[S@](=O)Cc1cccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 609700607 AHYKOBDHWJYPOK-AREMUKBSSA-N 430.935 4.096 5 20 IIBD COC(=O)c1sccc1S(=O)(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609761191 KYZMMDGYBPZLKU-UHFFFAOYSA-N 434.451 4.036 5 20 IIBD C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609782222 VIRRBWYKYQPGKJ-JKSUJKDBSA-N 426.473 4.298 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N3CCS[C@@H](C)[C@@H]3C)c([N+](=O)[O-])c2)c(C)c1 609823349 UXXNECLMTGTTQL-HOTGVXAUSA-N 435.571 4.343 5 20 IIBD O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc(Cl)cc([N+](=O)[O-])c1 609855183 AXPLTVXJQHVCEG-UHFFFAOYSA-N 429.782 4.356 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 610069448 MHARMIYUELRIIY-IUODEOHRSA-N 437.855 4.384 5 20 IIBD COc1cc(C(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)cc([N+](=O)[O-])c1OC 610176088 VDXKAJGMHXJJNY-HKBQPEDESA-N 440.477 4.172 5 20 IIBD O=C(c1cc(N2C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)ccc1[N+](=O)[O-])N1CCCC1 610587492 CUECOEKWQMXAPP-BETUJISGSA-N 425.329 4.008 5 20 IIBD Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)sc1Cc1ccccc1 613342121 KEUTZQLEZBFKFX-UHFFFAOYSA-N 440.506 4.300 5 20 IIBD COc1ccc(C(C)(C)C)cc1NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 615091894 MAQRSGGLJAUGQR-UHFFFAOYSA-N 425.485 4.031 5 20 IIBD CC(C)(C)OC(=O)c1ccccc1C1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 615179816 CFRQSXIBUQIEQQ-UHFFFAOYSA-N 425.485 4.033 5 20 IIBD COc1ccc(CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@H](C)C2CC2)c(OC)c1 619820106 GCUURBQEYYBSIX-MRXNPFEDSA-N 427.501 4.165 5 20 IIBD CCCCOc1ccc(-c2nnc(COC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])o2)cc1 725934596 FGRSTUMUTBEBEY-UHFFFAOYSA-N 433.367 4.459 5 20 IIBD COc1cc(C(=O)OCC(=O)c2cc(C)n(Cc3cccs3)c2C)ccc1[N+](=O)[O-] 725949242 XRUPOSOHOHWHHS-UHFFFAOYSA-N 428.466 4.171 5 20 IIBD O=C(CCc1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727330017 VSPBKGJASGAYDO-UHFFFAOYSA-N 425.382 4.034 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCC(N(C)C)CC2)c(F)c1 728256443 CGABTDRVRVYFOL-HNNXBMFYSA-N 446.548 4.384 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 729112430 DDGDDPYSSBKBPH-KRWDZBQOSA-N 444.459 4.117 5 20 IIBD O=C(CC1=CCCCC1)NCCN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 730162493 LZVBHCIMIJIPHJ-BOPFTXTBSA-N 449.916 4.291 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)no1 730859656 VJJVQQSWRWKMCN-UHFFFAOYSA-N 449.341 4.373 5 20 IIBD O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc(C2SCCS2)cc1 735332687 DEGROGQARAZRRS-UHFFFAOYSA-N 446.506 4.228 5 20 IIBD C[C@@H](OC(=O)c1csc(Cc2ccccc2F)n1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 735557427 DNLCNKQUZNSVDL-LLVKDONJSA-N 447.419 4.104 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NC[C@H](C)CC3(C)OCCO3)cc2[N+](=O)[O-])n1 740748272 AZVQCQLCXHDUJC-GFCCVEGCSA-N 437.543 4.030 5 20 IIBD CCCCC[C@@H](NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 741084879 VLFUPDVQUWNJFR-JOCHJYFZSA-N 438.528 4.384 5 20 IIBD Cc1cc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)ccc1NC(=O)CC(C)C 745294478 OVDYOQNFXVHFBE-UHFFFAOYSA-N 428.441 4.111 5 20 IIBD C[C@@H](CC(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cccc(F)c1 746085570 LRWPANKBMDHISY-NWDGAFQWSA-N 436.823 4.167 5 20 IIBD Cc1noc(C(F)(F)F)c1C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 746106532 OCDVQTQPVAGHCO-UHFFFAOYSA-N 435.314 4.382 5 20 IIBD CC(C)[C@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NC1CCCCC1 747963656 XOCOTKXZRVOJEC-SFHVURJKSA-N 431.514 4.349 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(-c3cccc(Cl)c3)no2)c([N+](=O)[O-])c1 748926679 WUYOLCXJXJEGFN-NSHDSACASA-N 445.815 4.096 5 20 IIBD Cc1c(C(=O)O[C@H](C)C(=O)c2ccc(OC(F)F)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748947441 LJNFWGXJQHLQCO-LLVKDONJSA-N 438.339 4.149 5 20 IIBD CCCCN1C(=O)CC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]1c1ccccc1OC 750549176 PMPYTDIADNRKQR-VGSWGCGISA-N 443.475 4.461 5 20 IIBD COCC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 751143737 GSACGPJSVXSEAF-GOSISDBHSA-N 425.529 4.209 5 20 IIBD Cc1c(Br)cc(C(=O)OCC(=O)Nc2ccc(F)cc2Cl)cc1[N+](=O)[O-] 753433178 PGIYVCKVFYJOBF-UHFFFAOYSA-N 445.628 4.254 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)c(C(F)(F)F)c1 755108101 RTUNPJRTZNMVGH-WFASDCNBSA-N 441.431 4.403 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC1CCN(CC2CCCCC2)CC1 755248117 SFUXVSNHJSEBRX-UHFFFAOYSA-N 438.366 4.061 5 20 IIBD COc1cc(C(=O)N[C@H]2CC3(CCC3)Oc3ccccc32)c([N+](=O)[O-])cc1OC(F)F 757811373 ACAOTNIKGLLCBZ-AWEZNQCLSA-N 434.395 4.381 5 20 IIBD CC(C)(C)OC(=O)N(CC1CC1)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 758360377 FHEZZWHMWNQPRY-UHFFFAOYSA-N 436.484 4.377 5 20 IIBD C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1N)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 758962161 FSUVRPFMPIXOGV-SSDOTTSWSA-N 432.647 4.321 5 20 IIBD Cc1cc(-c2noc([C@H](C)NC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)n2)ccc1F 760824852 LARWWZMWSMASDC-LBPRGKRZSA-N 443.391 4.108 5 20 IIBD Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1Br 760854490 IVVFYLNQSQEOQS-CQSZACIVSA-N 443.301 4.320 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@H](c2nc(-c3ccc(Oc4ncccn4)cc3)no2)C1 761510601 LGKITWQNVAJXSS-SFHVURJKSA-N 430.380 4.093 5 20 IIBD O=C(NC[C@@H](O)c1cccc(OCc2ccccc2)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 761607927 MNZZWMXBVZTZCZ-JOCHJYFZSA-N 431.448 4.119 5 20 IIBD C[C@@H](Sc1nc2ccccc2s1)C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 762911577 YTLBOOQVVDCEOR-LLVKDONJSA-N 442.478 4.479 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c1 764144680 ZAFGEABMOBSXGO-UHFFFAOYSA-N 446.312 4.184 5 20 IIBD Cc1nc(-c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc34)cc2)cs1 766486623 FEOUHPRQAUGTOF-UHFFFAOYSA-N 427.463 4.343 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(N2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)c1[N+](=O)[O-] 767208705 GCTALNYNBDUBAS-ZDUSSCGKSA-N 425.363 4.316 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cs1 768844392 RRLFKWVPXKGFJC-UHFFFAOYSA-N 449.457 4.277 5 20 IIBD CC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c1 769636492 WLUFGMLJEJVNNG-UHFFFAOYSA-N 433.667 4.014 5 20 IIBD CC(C)[C@H](OC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)Nc1ccccc1F 770158062 VXSFSOOYEOHMEG-INIZCTEOSA-N 439.237 4.317 5 20 IIBD Cn1cc(COC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c(C(F)F)n1 770376496 WNXCZUXUEOWZPK-UHFFFAOYSA-N 446.197 4.115 5 20 IIBD CC[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 772444728 MYDXHGICIMESGQ-NVXWUHKLSA-N 432.498 4.074 5 20 IIBD C[C@H](Oc1cccc2ccccc12)C(=O)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 774061205 AVXDZLDAVLSAJN-AWEZNQCLSA-N 442.855 4.142 5 20 IIBD COc1cc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cc2c1O[C@@H](C)C2 775495582 MAXAGHOFZPMRGJ-LBPRGKRZSA-N 425.466 4.327 5 20 IIBD Nc1nc(-c2ccccc2)c(CC(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)s1 775878827 ITGXGXFMAITXRS-UHFFFAOYSA-N 436.449 4.241 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)c1cccc(CS(=O)(=O)NC(C)(C)C)c1 778790526 JVIYMGQYELXGJV-OAHLLOKOSA-N 434.514 4.039 5 20 IIBD COc1cc(COC(=O)Cc2coc3cc(F)ccc23)c([N+](=O)[O-])cc1OCC(F)F 780066168 MPXKRHVGTGFTCQ-UHFFFAOYSA-N 439.342 4.419 5 20 IIBD C[C@H](OC(=O)c1csc(-c2ccc(F)c(F)c2)n1)C(=O)Nc1cccc([N+](=O)[O-])c1 780134824 TTXLQIVQNSOWLM-JTQLQIEISA-N 433.392 4.181 5 20 IIBD O=C(OCc1cncc(Br)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781257694 MYGXECMINQPGKS-UHFFFAOYSA-N 445.219 4.474 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(Oc2ccc(Cl)nn2)cc1 781669746 LYURFKGDFDFNDU-UHFFFAOYSA-N 443.803 4.310 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N[C@@H](c1c(F)cccc1F)C(F)(F)F 781849844 MVBCYOFCBHARNY-INIZCTEOSA-N 433.289 4.134 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1C)NC(=O)OC(C)(C)C 782837976 WKVCCISYOPSDFI-GOSISDBHSA-N 444.488 4.299 5 20 IIBD CCCOc1ccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OCCC 782891714 BTULEPLHZOSHBX-UHFFFAOYSA-N 435.864 4.403 5 20 IIBD CN(C(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N)cc1Cl)C1CCCCC1 786796926 MWQPOEBIOWWLKT-UHFFFAOYSA-N 430.892 4.487 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccnc(Oc2ccc(F)cc2F)c1 789042388 BTZDSOJHDYURJL-UHFFFAOYSA-N 443.362 4.164 5 20 IIBD O=[N+]([O-])c1ccc(CN(Cc2ccco2)S(=O)(=O)/C=C\c2ccccc2)c([N+](=O)[O-])c1 789566964 QCXXZFRLDCOMAJ-BENRWUELSA-N 443.437 4.099 5 20 IIBD O=[N+]([O-])c1ccc(CNc2ccccc2CS(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1 789670715 FPPVBIQHSQXSJQ-UHFFFAOYSA-N 427.438 4.089 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC(COc2ccc(Cl)nc2)CC1 790092667 AXBJBFXQBIKAQT-UHFFFAOYSA-N 441.818 4.176 5 20 IIBD C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 790199107 ZMTVAONWORPNHE-LSDHHAIUSA-N 429.498 4.252 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)n([C@@H]2CCN(Cc3ccccc3)C2)n1 790865537 HZOVSVZYPJJFAX-GOSISDBHSA-N 437.475 4.247 5 20 IIBD CCCNc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1I 790871223 VZBCWSWMGZASBZ-UHFFFAOYSA-N 425.226 4.274 5 20 IIBD C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 791030796 XHVDTSHKKZZQFH-LBPRGKRZSA-N 448.273 4.147 5 20 IIBD O=[N+]([O-])c1ccc(N2CCOCC2)c(-c2nc(-c3ccc(F)cc3C(F)(F)F)no2)c1 795704354 YFJNPFOQTUYFPB-UHFFFAOYSA-N 438.337 4.306 5 20 IIBD O=C(CCN(Cc1ccccc1)C[C@H](O)c1ccccc1)Nc1cc([N+](=O)[O-])ccc1F 796357337 NJNYAGYOBPIULF-QHCPKHFHSA-N 437.471 4.298 5 20 IIBD CC[C@](O)(C(=O)OCc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])c1cccc(Cl)c1 800321217 OVXPUGXFVKZRCC-LJQANCHMSA-N 445.802 4.199 5 20 IIBD Cc1cc(S(=O)(=O)N[C@@H](C)c2ccc(Oc3cccnc3)cc2)cc([N+](=O)[O-])c1F 808325679 SFOWDPLOOHMNHL-AWEZNQCLSA-N 431.445 4.269 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H](O)c2cc3ccccc3s2)c(Cl)cc1Cl 809825778 MHZSCCHXCMTJBP-CYBMUJFWSA-N 447.321 4.128 5 20 IIBD C[C@@H]1[C@H](C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1C(=O)OC(C)(C)C 811220276 ZTCJFTGGCAVUHR-CXAGYDPISA-N 447.513 4.407 5 20 IIBD CC(=O)c1cc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cs1 815284690 XWKLTEUHYTUSIX-NSHDSACASA-N 445.478 4.166 5 20 IIBD C[C@@H](OC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(-n2cccn2)c(F)c1 816284289 BTMVGKLERIEQPQ-CYBMUJFWSA-N 428.376 4.065 5 20 IIBD CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 849194442 NISNWMJKWDTUBL-HOTGVXAUSA-N 436.468 4.478 5 20 IIBD COc1cc([C@H]2NC(=O)c3cc(F)c(F)cc3N2)ccc1OCc1ccc([N+](=O)[O-])cc1 877858437 HEQHXMKZDZDKAE-OAQYLSRUSA-N 441.390 4.315 5 20 IIBD Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Nc2ccccc2)cc1 917359351 OGXVVSSNFCUGRA-UHFFFAOYSA-N 447.480 4.265 5 20 IIBD COc1ccccc1OCCN(C)C(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 917818939 BBCGRKYBVLQXPD-HDICACEKSA-N 441.528 4.237 5 20 IIBD COc1cc(CCNC(=O)N(CC[C@H]2C[C@H]3CC[C@H]2C3)C2CC2)c([N+](=O)[O-])cc1OC 918059975 NHFJLJHFMDTPSU-ULQDDVLXSA-N 431.533 4.155 5 20 IIBD C[C@@H](OC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 919505271 PJYWROXRHZPTNX-SSDOTTSWSA-N 449.744 4.172 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccc(N2CCCC2=O)cc1 920947007 XNQVHQRNLARXEH-KRWDZBQOSA-N 436.512 4.203 5 20 IIBD C[C@H](C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc(F)c(F)c1 1318832081 AKPMFSOWNXGJNW-VIFPVBQESA-N 432.301 4.177 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(Cn1nc(-c3ccccn3)n(-c3ccccc3)c1=S)CC2 1319282280 KFXJQZRYMYAOPT-UHFFFAOYSA-N 444.520 4.389 5 20 IIBD C[C@@H](C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 1322188078 FCSBTQZIQDMYKM-SECBINFHSA-N 432.301 4.177 5 20 IIBD CCOc1cc(-c2nnc(-c3cc4c(cc3[N+](=O)[O-])OCO4)o2)cc(OCC)c1OCC 1323793466 HFTVPWRNRACGCJ-UHFFFAOYSA-N 443.412 4.237 5 20 IIBD Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cc(Br)cc([N+](=O)[O-])c3N)[nH]c2c1 1327146780 YSRGGYWJRWLYDL-HNNXBMFYSA-N 444.289 4.102 5 20 IIBD Cc1cc[nH]c1C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3F)CCC2)cc1 1787102861 DTNUXUJTMMAYOR-UHFFFAOYSA-N 436.443 4.432 5 20 IIBD C[C@@H](Nc1ccccc1)C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1 1789467906 FEZAFQMJNANVQP-MRXNPFEDSA-N 447.495 4.171 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])[nH]n1)[C@H]1CC=CCC1 1820832074 XVMCMFWHJKKCBC-MDFWECQCSA-N 449.511 4.380 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)C2CCCCC2)[nH]n1)c1cc(F)cc([N+](=O)[O-])c1 1821163606 AXIMXGHCPSHWIP-LJQANCHMSA-N 443.479 4.343 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2)CC1 1829876458 YDCWDOKEOKJQRR-QFIPXVFZSA-N 439.487 4.281 5 20 IIBD C/C=C(\C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(C)c([N+](=O)[O-])c2)CC1 1830364459 QNUDLGDBPUZVEV-ALPJNHHUSA-N 427.545 4.032 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CC2(CCCN2C(=O)C[C@H](C)c2ccccc2)C1 1846044236 VXWPAJOZASBPRI-INIZCTEOSA-N 439.487 4.053 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CC(c1ccccc1)c1ccccc1 11398958 DMWQRCMDICAYKP-UHFFFAOYSA-N 434.448 4.307 5 20 IIBD O=C(COC(=O)c1cc(Br)ccc1Cl)Nc1ccc(Cl)c([N+](=O)[O-])c1 11481678 KXHHFJMPFOGMCM-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD O=C(N[C@H](c1ccc(F)cc1)c1cccs1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 17369752 VWNBIYDXFQBUEZ-OAQYLSRUSA-N 441.484 4.151 5 20 IIBD O=C(COC(=O)c1cccc(-n2cccc2)c1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 18024973 JWAIWEMOYPQYQE-UHFFFAOYSA-N 433.342 4.200 5 20 IIBD COc1cccc(NC(=O)[C@@H](OC(=O)c2cc([N+](=O)[O-])ccc2OC)c2ccccc2)c1 19284583 AQCDXPHLVCGPPC-NRFANRHFSA-N 436.420 4.149 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])s1)C(=O)Nc1ccc(OCc2ccccc2)cc1 22053630 PHEJCRKTVGLEJQ-CQSZACIVSA-N 426.450 4.419 5 20 IIBD CSc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2Br)cc1[N+](=O)[O-] 22160951 ZKVLWVMPUFFKHT-SNVBAGLBSA-N 439.287 4.263 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)Nc1ccccc1Cc1ccccc1 27007349 UEPLCSSVXIZHGJ-MRXNPFEDSA-N 434.448 4.378 5 20 IIBD O=[N+]([O-])c1cccc(OS(=O)(=O)c2csc(-c3ccc(Br)cc3)n2)c1 60296949 DOOYKWZFVMZXLO-UHFFFAOYSA-N 441.284 4.249 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCc1csc2ccccc12 109172940 DITQTHNFSJSQFF-SFHVURJKSA-N 444.534 4.404 5 20 IIBD COc1cc(C(=O)Nc2ccc(-c3nc4ccccc4n3C)cc2)c([N+](=O)[O-])cc1OC 110578120 DBFCCWHJXZIXEN-UHFFFAOYSA-N 432.436 4.418 5 20 IIBD COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1ccc(C)c([N+](=O)[O-])c1 219077523 BNXGFWAIRUCVNF-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD CSCC[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1nnc2ccccn12 237349128 WQOGUEOYIVZAOU-KRWDZBQOSA-N 440.554 4.345 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC2CCN(C(C)(C)C)CC2)cc1[N+](=O)[O-])c1ccccn1 302988253 KUFCPNHBRFKCAT-INIZCTEOSA-N 425.533 4.156 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc(Br)c2c(c1)OCCO2 303029390 PGCRHOJSHZGNGU-UHFFFAOYSA-N 435.274 4.179 5 20 IIBD C[C@H](NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1ccc(OCC(F)(F)F)cc1 303488661 RRJODKAIBACNPL-NSHDSACASA-N 435.358 4.281 5 20 IIBD O=C(c1ccccc1)c1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c1 303501296 RLJYBPOOJZXUTE-GOSISDBHSA-N 449.488 4.131 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 426914264 OJTGSEVCRFMKGQ-QGZVFWFLSA-N 429.231 4.263 5 20 IIBD CN(CC(=O)O)C(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2 427745384 WZQRUVOAHQWAIB-VBKFSLOCSA-N 431.448 4.177 5 20 IIBD C[C@@H](O)CN(C)C(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 428676663 ZHYAKCWJMINMSP-APVMCDBPSA-N 431.492 4.473 5 20 IIBD CSc1cc2c(cc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-])OCCO2 429797136 SZMSLVYNWVDMNW-UHFFFAOYSA-N 425.260 4.103 5 20 IIBD O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccc(Br)cc1[N+](=O)[O-] 429947397 DLJAUSRHPPLIDA-UHFFFAOYSA-N 440.681 4.100 5 20 IIBD CC(C)(NC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O)c1ccc([N+](=O)[O-])cc1 430575133 JZTXBYHXTHMJBC-UHFFFAOYSA-N 445.475 4.176 5 20 IIBD CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 431471021 JRZJGRYAHWHRNB-QGZVFWFLSA-N 446.345 4.342 5 20 IIBD CCOc1ccc(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1OC 436093709 OYTBYPYMJHGQLM-UHFFFAOYSA-N 438.430 4.297 5 20 IIBD COc1ccc(CCNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1OC(F)F 438010527 IZGBYIWHVOBVAM-UHFFFAOYSA-N 435.427 4.122 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1ccccc1F)C1CCCC1 440071662 MGZKQPBFNLKIEA-FQEVSTJZSA-N 429.448 4.119 5 20 IIBD O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)Nc1ccc([N+](=O)[O-])cc1 440796617 CKVFUUNFGGJRJD-UHFFFAOYSA-N 430.262 4.441 5 20 IIBD CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 441228316 JPDPNWWAQYDLEX-INIZCTEOSA-N 449.454 4.313 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1 445164959 LXQHNVIKHXPXJU-UHFFFAOYSA-N 435.484 4.344 5 20 IIBD COc1nc(C)c(Br)cc1-c1noc(-c2cc(Cl)cc([N+](=O)[O-])c2)n1 445998414 JQHCTCTTYBPPEX-UHFFFAOYSA-N 425.626 4.440 5 20 IIBD COc1cc(OC)c(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1F 446202068 PFJPCJLPUPFIIA-ZIAGYGMSSA-N 431.464 4.486 5 20 IIBD CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 446853085 NXTJOVFDJTZWAN-UHFFFAOYSA-N 430.892 4.319 5 20 IIBD Cc1ccccc1-c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)n[nH]1 446966786 OPRXLOQWUAKKDR-UHFFFAOYSA-N 426.376 4.113 5 20 IIBD Cc1cc(NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)c2cccc([N+](=O)[O-])c2n1 447687953 KJJHSANCPNKDHS-UHFFFAOYSA-N 439.415 4.486 5 20 IIBD C[C@@H](c1ccccn1)N(C)C(=O)c1cc(C(=O)N(C)[C@@H](C)c2ccccn2)cc([N+](=O)[O-])c1 460662979 QETRXRYTEXUOQZ-IRXDYDNUSA-N 447.495 4.051 5 20 IIBD CC[C@@H](C)N(C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)c1ccc(C(N)=O)cc1 463616792 UAGJCKIHCVDWMQ-DLBZAZTESA-N 438.528 4.375 5 20 IIBD O=C(Nc1nnc(Cc2cccc(F)c2)s1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 463790659 UNDMGBMFNACWEW-UHFFFAOYSA-N 426.351 4.447 5 20 IIBD CC[C@H]1Oc2cc([C@H](C)NC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])ccc2NC1=O 465356052 FDYSPKGSYSGPCG-YVEFUNNKSA-N 447.875 4.004 5 20 IIBD Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 467826992 QNPRJMBVUZNRHJ-UHFFFAOYSA-N 437.843 4.308 5 20 IIBD CN1C(=O)CC[C@H](C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@@H]1c1ccc(C(F)(F)F)cc1 470698556 ZCVMZICTPACSIU-WMZOPIPTSA-N 439.365 4.301 5 20 IIBD Cc1cc(-c2noc([C@@H](C)NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)ccc1F 472381732 MPPCYDKTHMWCGJ-OLZOCXBDSA-N 430.461 4.450 5 20 IIBD COc1cc(CN2CC[C@@]3(C2)OCc2ccccc23)c([N+](=O)[O-])cc1OCC(F)(F)F 473120717 GGMCBSOSTPMLOF-FQEVSTJZSA-N 438.402 4.176 5 20 IIBD Cc1cc(N2CCC(n3cc(Br)cn3)CC2)c(Br)cc1[N+](=O)[O-] 473523974 HTVUWLFZYDYUSH-UHFFFAOYSA-N 444.127 4.466 5 20 IIBD O=C(Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1cc([N+](=O)[O-])ccc1OC(F)F 476314660 OBKISPKMIPSQML-UHFFFAOYSA-N 431.395 4.138 5 20 IIBD COc1cc(CN(C)C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc(OC)c1 477149937 LTQBJMLATWFYCW-IRXDYDNUSA-N 441.528 4.367 5 20 IIBD Cc1cc(N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(N2CCN(C(C)C)CC2)c1 479548023 VWHOWVCOKHVCKF-LJQANCHMSA-N 439.560 4.181 5 20 IIBD Cc1c(CNC(=O)N(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] 480066674 ZGNCFHGZKXDUSA-UHFFFAOYSA-N 438.450 4.195 5 20 IIBD COc1cc(C(=O)NCc2cccc(COCc3ccccc3)c2)c([N+](=O)[O-])cc1OC 480377981 QJBDKMYRSHWXLY-UHFFFAOYSA-N 436.464 4.259 5 20 IIBD CC1(C)CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC[C@@H]1C(F)(F)F 484345946 QQFNVSPOYYKYRC-ZDUSSCGKSA-N 438.244 4.206 5 20 IIBD C[C@H](NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc(OC(F)(F)F)cc1 484871897 GTNKEUMYELHGOG-LBPRGKRZSA-N 425.363 4.142 5 20 IIBD C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 484977314 RLRICSVCKVAPMA-ACJLOTCBSA-N 445.401 4.418 5 20 IIBD CSc1cccc(C(=O)Nc2ccc(I)cc2C)c1[N+](=O)[O-] 485743653 CAGFHCBOUDHSEX-UHFFFAOYSA-N 428.251 4.482 5 20 IIBD COC(=O)c1cc(NC(=O)[C@H](C)Oc2ccccc2C(F)(F)F)c(C)c([N+](=O)[O-])c1 485939477 IPDDJIAMVGVRAI-NSHDSACASA-N 426.347 4.115 5 20 IIBD O=C(Nc1cccn(CC(F)(F)F)c1=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 486194152 UGJKORUIOGEIPN-UHFFFAOYSA-N 447.369 4.150 5 20 IIBD O=C(Cc1ccc(F)cc1Br)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 486417316 ORKHLMWSZHIXJS-KRWDZBQOSA-N 425.279 4.313 5 20 IIBD CC(C)C(=O)N(C)Cc1ccc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 486685665 QLVSRJORGRIHTM-UHFFFAOYSA-N 437.418 4.158 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC1(c2cccc(C(F)(F)F)c2)CCOCC1 486882147 OUSNEKAKOZIIQX-UHFFFAOYSA-N 447.413 4.460 5 20 IIBD O=C(c1cc(Cl)ccc1OC1CCCC1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 487078644 ZMYDGLSSNPOZJV-OAHLLOKOSA-N 430.892 4.291 5 20 IIBD CCC(=O)Nc1ccc(C(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC)cc1 489411956 JQBBKYUTJADQEZ-UHFFFAOYSA-N 439.497 4.197 5 20 IIBD C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 489861807 QINOYMLTGNGPMV-KGLIPLIRSA-N 433.306 4.164 5 20 IIBD O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H](Oc1cc(Cl)ccc1Cl)c1ccccc1 492935851 FXONIZAKMHXYBF-SFHVURJKSA-N 435.267 4.035 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] 493106048 OBWQJFXXVAEAQJ-HNNXBMFYSA-N 428.464 4.164 5 20 IIBD COCCN(Cc1cc(Br)cs1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] 494061561 XRGFKLSZRNSBQY-UHFFFAOYSA-N 433.299 4.215 5 20 IIBD O=C(CN[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)Nc1ccc(Cl)cc1[N+](=O)[O-] 494497587 XHNHHUHNTJEYGS-CRAIPNDOSA-N 428.247 4.099 5 20 IIBD O=C(N[C@]1(Cc2ccc(Cl)cc2)CCOC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 500326496 VETXJCWLDRXFKV-SFHVURJKSA-N 428.794 4.399 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 501992109 VYDJYEKZXVYTQM-HXUWFJFHSA-N 431.920 4.440 5 20 IIBD COc1ccc(-c2ccc(CN[C@H](CO)c3ccc(Br)cc3)o2)c([N+](=O)[O-])c1 503289911 IFDMOMCZOMOPNM-GOSISDBHSA-N 447.285 4.449 5 20 IIBD Cc1ccc(CN(CCN(C)C)C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)o1 504023894 NUNYUVPSMFNNNK-UHFFFAOYSA-N 436.512 4.312 5 20 IIBD Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 504108261 FZVPJLQWIXFUFS-INIZCTEOSA-N 449.511 4.202 5 20 IIBD CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC1CCC(C(=O)N2CCSCC2)CC1 504927923 WLLUXJZTBOSRHS-ADKAHSJRSA-N 437.631 4.189 5 20 IIBD Cc1csc([C@@H]2CCCCN2CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)n1 505282046 VIVWOTYSUHYYRS-HNNXBMFYSA-N 439.335 4.288 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCN[C@H](c2ccncc2)C1 505579400 QUXSYVNUGUKYDW-IBGZPJMESA-N 438.871 4.222 5 20 IIBD O=C(Nc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccc(Cl)cc1 511202380 FXIDERUPLVJQJK-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 512130224 LIZMQDDYOSQYFT-ZDUSSCGKSA-N 444.285 4.360 5 20 IIBD O=C(c1cc(F)c(F)cc1I)N1CCCc2c1cccc2[N+](=O)[O-] 513835986 YDNKMNRWFCHOEA-UHFFFAOYSA-N 444.175 4.071 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccc(NC(=O)[C@H]2CCCO2)c1 515338531 GKVLUJNAUZQHSY-GOSISDBHSA-N 438.465 4.088 5 20 IIBD COc1ccc(C(=O)N(C)C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 515445339 MDYDFVXFLXFBDU-UHFFFAOYSA-N 448.479 4.170 5 20 IIBD COc1cc(CCNC(=O)N(Cc2ccccc2)CC2CCC2)c([N+](=O)[O-])cc1OC 516263885 MYTDPCZNMJIPIM-UHFFFAOYSA-N 427.501 4.166 5 20 IIBD O=C(NCC(=O)N1CCCc2ccccc21)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 517758508 CSGSNDOVMIHNGJ-UHFFFAOYSA-N 430.464 4.048 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 518285503 NTIXZCVIGYMJLT-ZDUSSCGKSA-N 434.481 4.098 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC1(c2ccc(F)cc2)CCOCC1 520408548 ATHSAYKATGVWLH-AWEZNQCLSA-N 436.867 4.019 5 20 IIBD COc1cc(CNCCc2ccc3c(c2)OCO3)ccc1OCc1ccc([N+](=O)[O-])cc1 520954205 JWOIUUSYANSJKF-UHFFFAOYSA-N 436.464 4.243 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC(OC2CCCC2)CC1 523344265 OEQQFRUAHZXSJY-UHFFFAOYSA-N 444.454 4.159 5 20 IIBD O=C(Nc1cccc2ccncc12)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 531518987 OUBCVGFWKPMIIA-UHFFFAOYSA-N 448.460 4.196 5 20 IIBD CCOc1ccc(Cl)cc1CCNC(=O)c1ccc([N+](=O)[O-])cc1Br 534481439 IAYFZWIOSZPNJH-UHFFFAOYSA-N 427.682 4.382 5 20 IIBD Cc1ccc([C@H](C)NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] 535378590 RFORUQZELSGITI-NRKGENKXSA-N 433.867 4.093 5 20 IIBD CCC[C@H]1CN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 535498000 BZJOAWYFNCFFBT-QFIPXVFZSA-N 434.496 4.018 5 20 IIBD COc1ccc(C[C@H](C)CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 536238801 MFUSQQVBRYQVSL-ZDUSSCGKSA-N 426.391 4.153 5 20 IIBD CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 536318238 AWOFUFVPUUEDLT-JKSUJKDBSA-N 448.545 4.004 5 20 IIBD CC(C)CC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2nc[nH]n2)cc1 536870070 NCIIISFCHQYPMC-UHFFFAOYSA-N 440.485 4.101 5 20 IIBD CCC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c1 537054899 BDEIGZBEKSWUOF-HOTGVXAUSA-N 448.545 4.086 5 20 IIBD O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CCO[C@H](c2ccc(F)c(F)c2)C1 537242165 TYEOJGLBNGOWJS-IBGZPJMESA-N 425.391 4.149 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cccc(NC(=O)NCc3ccncc3)c2)c1 538413609 MWMXECNDLXMNQS-UHFFFAOYSA-N 449.467 4.028 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C3)cs1 538941555 CEYXCUNVTNAXDQ-UHFFFAOYSA-N 449.579 4.019 5 20 IIBD CCCS(=O)(=O)Nc1cccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1 542360209 JTCROXDJHOADTO-UHFFFAOYSA-N 443.934 4.131 5 20 IIBD COCC[C@H](Cc1ccco1)NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 544063104 WDABATSJYVZWOJ-OAHLLOKOSA-N 447.538 4.482 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(c2ccccc2OC)CCC1 544858189 DCVOAPOMUQWETF-UHFFFAOYSA-N 430.526 4.194 5 20 IIBD COc1cccc(OC)c1OCc1noc(-c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 545779373 LQTSLKFXRNMGAY-UHFFFAOYSA-N 425.319 4.260 5 20 IIBD Cc1cc(Cc2noc(C3CCN(C(=O)c4ccc(F)cc4F)CC3)n2)ccc1[N+](=O)[O-] 545852931 CCDOSHZVZURZFP-UHFFFAOYSA-N 442.422 4.175 5 20 IIBD CCOc1cc(Cc2noc(-c3n[nH]c4ccc([N+](=O)[O-])cc34)n2)ccc1OC(F)F 546351875 MRUVEKCOUSOYCI-UHFFFAOYSA-N 431.355 4.112 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCc3ncn(-c4ccccc4)n3)c([N+](=O)[O-])c2)cc1 549632427 OBIGJSVAXPMIDM-UHFFFAOYSA-N 428.452 4.348 5 20 IIBD CC1(C)CN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)[C@@H]1[C@H]1CCCO1 555110550 NYCWAZPYOKNNKI-NVXWUHKLSA-N 439.299 4.117 5 20 IIBD C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] 555726870 GTKMVWJBBUYRLT-KRWDZBQOSA-N 438.528 4.006 5 20 IIBD CC(C)[C@H](NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)c1ncon1 557015803 PUGPQDKCFDXRLM-SFHVURJKSA-N 429.864 4.370 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)cc(I)c2)c1 560777626 PKSFPWCVBXVOBD-UHFFFAOYSA-N 428.251 4.482 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)N(C(=O)C(C)(C)C)CCO2 569506526 DQWZYCYVGTZLNR-UHFFFAOYSA-N 440.500 4.073 5 20 IIBD CC(C)[C@H]1N(C(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC12CCC2 570621055 QKTWNNNSHIYAFV-HXUWFJFHSA-N 443.525 4.046 5 20 IIBD CC(=O)c1cc(NC[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)ccc1[N+](=O)[O-] 570788134 ATRBANRNLRZONN-HXUWFJFHSA-N 437.418 4.302 5 20 IIBD O=C(NCCc1ccc(F)c(Br)c1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 580727942 YRKUGBJYAKADEU-UHFFFAOYSA-N 435.171 4.488 5 20 IIBD O=C1CCCc2cc(-c3nc(Cc4ccc([N+](=O)[O-])cc4Br)no3)ccc2N1 589133821 RGIOTMNYWVPTMI-UHFFFAOYSA-N 443.257 4.273 5 20 IIBD Cc1cc(OCc2nc(CC(=O)Nc3cc(Cl)ccc3Cl)no2)ccc1[N+](=O)[O-] 589145257 VDUAYOZVGCQUHQ-UHFFFAOYSA-N 437.239 4.353 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(OCC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)c1 603912168 MHNMICJBDJFVGP-UHFFFAOYSA-N 426.469 4.075 5 20 IIBD Cc1nc2ccnn2c(C)c1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 603953371 WPNRBYMIZNMGGR-UHFFFAOYSA-N 443.463 4.057 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc2ccc(OCC(F)(F)F)cc2s1 608928668 WILVGSOOPZHYJL-UHFFFAOYSA-N 447.416 4.255 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](COC)c2cccc(C(F)(F)F)c2)cc1OC 609816541 CZDYOXDCBWCPDC-HNNXBMFYSA-N 442.390 4.138 5 20 IIBD Cc1cc(=O)c(C(=O)N(CC2CCC2)[C@@H](C)c2ccccc2)nn1-c1ccccc1[N+](=O)[O-] 610122506 LHBFJTBEKRGYGG-SFHVURJKSA-N 446.507 4.453 5 20 IIBD Cc1cccc(NC2CCN(C(=O)NCCCNc3ccc(C)cc3[N+](=O)[O-])CC2)c1 610163811 GIOFJZYTRGOKEH-UHFFFAOYSA-N 425.533 4.300 5 20 IIBD O=C(Nc1ccc(F)cc1)Nc1cccc(OC[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 612031637 CGOPAGJCNRCINZ-GOSISDBHSA-N 441.415 4.197 5 20 IIBD CCOc1cc(Br)c(NC(=O)c2cccc([N+](=O)[O-])c2NC)cc1OCC 613229039 DDMBOSMNYQZIFI-UHFFFAOYSA-N 438.278 4.449 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)ccc2N2CCN(CC)CC2)c1 619790807 DWVAWKKNFGYBSM-UHFFFAOYSA-N 432.908 4.041 5 20 IIBD C[C@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccccc1Cl 725985313 KPVUMERHVJZHTN-JTQLQIEISA-N 441.665 4.045 5 20 IIBD CC(C)(C)c1ccc([C@@H](O)CCC(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 726870542 CIKLCBAVVCGVKU-IBGZPJMESA-N 439.468 4.499 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)O[C@H]2CCc3ccc(Cl)cc32)ccc1[N+](=O)[O-] 727961397 MMDGDMVPIUPVNM-UXHICEINSA-N 428.872 4.392 5 20 IIBD COC1CCN(c2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2C(F)(F)F)CC1 728013208 WAENEJSMFPNOSJ-UHFFFAOYSA-N 437.418 4.410 5 20 IIBD O=C(OCc1c(F)cccc1[N+](=O)[O-])C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 728991940 YNWTZOPDSHFCQZ-UHFFFAOYSA-N 441.864 4.217 5 20 IIBD Cc1ccc(-n2nc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3C)c3c2CCCC3)cc1 731086269 RWJKUCSYLWVFEA-UHFFFAOYSA-N 448.479 4.072 5 20 IIBD O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)OCC(=O)c1cccc([N+](=O)[O-])c1 731709094 JSHOTMIYNRNZKM-UHFFFAOYSA-N 429.816 4.047 5 20 IIBD Cn1c(Sc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])nc2cc(Cl)ccc21 731977168 KMUHOVRGWRFKKX-UHFFFAOYSA-N 433.845 4.282 5 20 IIBD Cc1cc(OC(F)F)c(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)s1 734059035 QAVNYNYBRCNLGM-QMMMGPOBSA-N 434.804 4.404 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1 739731711 AYYJJKSXVZLJPB-UHFFFAOYSA-N 425.754 4.408 5 20 IIBD Cc1cccc(NC2CCN(c3ccc(S(=O)(=O)C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 740870669 FYUNODDIRUOGGR-UHFFFAOYSA-N 443.447 4.278 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)cc1[N+](=O)[O-] 742028638 YAZXHGSZSWHIMQ-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD CCc1ccc(OC(=O)[C@H]2CCCN(C(=O)N3CCc4sccc4C3)C2)c([N+](=O)[O-])c1 744150827 GSXOTVRMDNZSQY-KRWDZBQOSA-N 443.525 4.014 5 20 IIBD CCc1ccc(OC(=O)[C@@H]2CCCN(C(=O)N3CCc4sccc4C3)C2)c([N+](=O)[O-])c1 744150831 GSXOTVRMDNZSQY-QGZVFWFLSA-N 443.525 4.014 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@H]3Cc4ccccc4S3)CC2)ccc1[N+](=O)[O-] 744203394 IIWXYUWRRJYWJN-OAQYLSRUSA-N 428.510 4.223 5 20 IIBD CC/C(=C\C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1cccc(Cl)c1 744592013 YQVJWKBTUNJRHA-FOCLMDBBSA-N 427.888 4.026 5 20 IIBD Cc1cc(C(=O)COC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc(C)c1F 744762409 MGJKAUQHDBFPSM-UHFFFAOYSA-N 429.322 4.332 5 20 IIBD C[C@@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Br)cc1 745074388 RITNTFBADGLBLZ-GFCCVEGCSA-N 435.274 4.205 5 20 IIBD Cc1ccc2c(CCC(=O)OC[C@H]3CCCN3C(=O)c3ccccc3[N+](=O)[O-])c[nH]c2c1 745951364 DKMMCMHRDAQNLF-GOSISDBHSA-N 435.480 4.165 5 20 IIBD CC(C)n1c([C@@H]2CCCN2C(=O)COc2ccc([N+](=O)[O-])c(F)c2)nc2ccccc21 748376653 QDZMYTYJGNAYBL-FQEVSTJZSA-N 426.448 4.407 5 20 IIBD C/C(=C/C(=O)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(C(F)(F)F)cc1 748384353 DHHXLKFXSXPHTN-RAXLEYEMSA-N 434.370 4.149 5 20 IIBD O=C(Nc1ccc(N2CCOC2=O)cc1)c1cc(Br)cc([N+](=O)[O-])c1Cl 749422606 VLQMEVSONJPNHK-UHFFFAOYSA-N 440.637 4.220 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)c(Cl)cc2OC)c([N+](=O)[O-])c1 750436370 BPHVCIASIAIJIN-SECBINFHSA-N 443.239 4.103 5 20 IIBD COC(=O)c1sc2ccccc2c1S(=O)(=O)Oc1c(Cl)cccc1[N+](=O)[O-] 751502093 PSHUSPOHSVLQFC-UHFFFAOYSA-N 427.843 4.017 5 20 IIBD COc1cc(C(=O)N(Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)ccc1[N+](=O)[O-] 752463783 YXJSWEGUPABQPB-VWLOTQADSA-N 432.476 4.080 5 20 IIBD C[C@@H](C(=O)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1F 754420383 MNKMXBBLWZFLQS-ZUOKHONESA-N 425.372 4.473 5 20 IIBD O=C(NCc1ccc(N2CCCCC2)nc1)Nc1ccc(Br)c([N+](=O)[O-])c1 755024337 MQOLZRMPBLWBJH-UHFFFAOYSA-N 434.294 4.064 5 20 IIBD CC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1NC(=O)OC(C)(C)C 756918521 PVDCGCREOPUOHS-IUODEOHRSA-N 426.901 4.405 5 20 IIBD CCN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 760657956 PUVAHUYZMVDZHO-QGZVFWFLSA-N 432.318 4.094 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(Br)s1 761291164 AQMMOCIPGJCVOQ-UHFFFAOYSA-N 433.667 4.176 5 20 IIBD Cc1nn(Cc2ccccc2)c2sc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)cc12 762155167 NPJXQUOJFSQIJG-UHFFFAOYSA-N 435.461 4.402 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](CCc1nc(Cc2ccc([N+](=O)[O-])cn2)no1)c1ccccc1 762324838 OLYSJRARBNQXRS-SFHVURJKSA-N 439.472 4.162 5 20 IIBD Cc1ccc(-c2noc([C@H](C)OC(=O)c3cc([N+](=O)[O-])c4nsnc4c3)n2)cc1F 762975100 JFNZMAYSBFKNJX-VIFPVBQESA-N 429.389 4.015 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)cs1 768882620 UJYYDUITBOPEBR-SANMLTNESA-N 428.557 4.039 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(-c2nc(-c3c(Cl)nc4sccn34)no2)c1 771323771 HIDRVXRKUMPLPG-UHFFFAOYSA-N 426.639 4.437 5 20 IIBD COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 772459835 JOMLUCBPZQDCBX-OPAMFIHVSA-N 427.501 4.100 5 20 IIBD Cc1cccc(-c2nnc([C@H](C)N3CCCN(c4nc5ccc([N+](=O)[O-])cc5[nH]4)CC3)o2)c1 775672405 FNTLOZPESKIVMN-INIZCTEOSA-N 447.499 4.103 5 20 IIBD CCn1c(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)nc2ccc(F)cc21 779008261 QYALYHOKGWNRLI-UHFFFAOYSA-N 425.189 4.257 5 20 IIBD CC(C)(C)OC(=O)N1CCOC[C@H]1c1noc(-c2cc3cc([N+](=O)[O-])ccc3s2)n1 779580910 ACXLWPMALPUAKO-ZDUSSCGKSA-N 432.458 4.168 5 20 IIBD CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 780709251 IWINSWJAHRQODH-VWLOTQADSA-N 437.540 4.351 5 20 IIBD COC(=O)c1cc(COC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)oc1C 781256008 IVYRLFRFTYYOAL-UHFFFAOYSA-N 427.359 4.005 5 20 IIBD CCOc1cccc2cc([C@H](C)NC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])oc12 781583543 GQDZKWCTKOMNDL-ZDUSSCGKSA-N 427.413 4.458 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(Br)c(Cl)c1 781709747 VEJCQGVCIKYZDF-UHFFFAOYSA-N 428.626 4.490 5 20 IIBD COc1ccccc1CN1C(=O)N[C@@H](c2ccc([N+](=O)[O-])s2)C(C(=O)OC(C)C)=C1C 782248721 XDISCTHYVQCWOQ-IBGZPJMESA-N 445.497 4.157 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1ccccc1NCc1ccccc1C 782781294 MEZKLTMQZGMZBR-UHFFFAOYSA-N 449.463 4.354 5 20 IIBD CS(=O)(=O)CCSc1cc(Br)ccc1/C=C\c1ccc([N+](=O)[O-])cn1 783710220 CNDDOWRKVFFWQH-HYXAFXHYSA-N 443.344 4.059 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)OCc3nnc(-c4ccco4)o3)cc2[N+](=O)[O-])C1 787428025 RQNMWKGKUYQLMO-ZIAGYGMSSA-N 426.429 4.077 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)nc1 791610255 YUKHHFBFRDDWLJ-IBGZPJMESA-N 444.513 4.154 5 20 IIBD CSc1ccc(NC(=O)CN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cc1 792911889 JAVLJRMKPPFCNX-UHFFFAOYSA-N 436.331 4.076 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 796174397 KZVNOHZNRGFULV-AWEZNQCLSA-N 443.456 4.434 5 20 IIBD COc1cc([N+](=O)[O-])ccc1COC(=O)CC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 797474136 CJGVYYAXOIYBFT-ZXFUBFMLSA-N 434.489 4.215 5 20 IIBD O=C(O[C@@H]1CCO[C@@H]([C@H]2CCOC2)C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 799625162 NSKPPJPFRBQRKC-FRQCXROJSA-N 429.494 4.487 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C1C[C@@H]2CCC[C@H](C1)C2NC(=O)OC(C)(C)C 808011780 DRZAOCPULADJIK-WWMCIYDGSA-N 433.505 4.262 5 20 IIBD CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 809914773 NWBDPNFZGQGKKF-ZDUSSCGKSA-N 426.901 4.407 5 20 IIBD Cc1ccc([C@H]2C[C@H](C)N(C(=O)C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)C2)cc1 810406738 FZZRRSBQRYTSEY-ZFWWWQNUSA-N 446.301 4.009 5 20 IIBD C[C@H](C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc(Br)c1 812608117 GMLYGOCRLWVDLO-JTQLQIEISA-N 441.665 4.296 5 20 IIBD CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1Cl 813245590 VZNSOQNYPXDYCV-KRWDZBQOSA-N 428.876 4.052 5 20 IIBD C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N2CCCOC2=O)cc1 814355633 PFVNGHDYEXYCNL-UONOGXRCSA-N 447.875 4.240 5 20 IIBD CC(C)(C)C(=O)NC1CCC(C(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 815243394 ZIXDMAQSHRSMEC-UHFFFAOYSA-N 430.423 4.378 5 20 IIBD CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C 914502068 CVQPJKVAAHVKDR-UHFFFAOYSA-N 433.390 4.165 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)Nc2ccc(C(N)=O)cc2C)cc1[N+](=O)[O-] 915180121 QWGKVLVVFYPJOQ-UHFFFAOYSA-N 449.488 4.207 5 20 IIBD C[C@H](COc1ccccc1)NC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 918348361 XVNGZPAKHJTNDN-QGZVFWFLSA-N 447.491 4.089 5 20 IIBD Cn1cc(-c2nc(COC(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)cs2)cn1 918870023 SOGYTVROQYSKQJ-UHFFFAOYSA-N 449.492 4.421 5 20 IIBD O=C1CC[C@@]2(C(=O)Nc3cc([N+](=O)[O-])c(F)cc3F)Sc3ccc(Cl)cc3N12 920817511 YQABGAGRQNTXTM-KRWDZBQOSA-N 425.800 4.094 5 20 IIBD O=C(CN1Cc2ccc([N+](=O)[O-])cc2C1)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 1253346372 MLFFBIBOUWDICR-QHCPKHFHSA-N 440.503 4.340 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(-c3cccc(S(=O)(=O)N4CCc5ccccc54)c3)o2)c1 1257629003 AIVNCKJRHGBPTN-UHFFFAOYSA-N 448.460 4.063 5 20 IIBD CN(Cc1cccc(NCc2ccc([N+](=O)[O-])cc2Br)c1)C(=O)C(F)(F)F 1320520432 YQMDKJATOHCYNS-UHFFFAOYSA-N 446.223 4.490 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1Oc1cnc(F)cc1Cl 1323218618 INKURHFFPDFYPX-UHFFFAOYSA-N 429.857 4.139 5 20 IIBD COc1ccc(NC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)c([N+](=O)[O-])c1 1344460538 QZVVAZHMOCNAEC-UHFFFAOYSA-N 432.908 4.291 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3cccc(F)c3[N+](=O)[O-])CCC2)cc1)c1cscn1 1787420257 SDGPPJNFFAOIJE-UHFFFAOYSA-N 440.456 4.252 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])cc4F)CCC3)cc2)c[nH]1 1788815214 KUTFGUQOTIUFAU-UHFFFAOYSA-N 436.443 4.432 5 20 IIBD CC(C)O[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc([N+](=O)[O-])o3)CCC2)cc1 1789592785 WGHVFVSOIRKFGL-SOGBHIHOSA-N 441.484 4.149 5 20 IIBD CCCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nc2cc(Cl)ccc2c1=O 9398685 NYLKBOTZJZPRQH-UHFFFAOYSA-N 446.916 4.407 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 10124994 ZJOLFNYRJPVVLS-UHFFFAOYSA-N 435.402 4.413 5 20 IIBD COc1ccccc1Nc1nnc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)s1 21681207 MZKWXKXBWQRYHK-NSHDSACASA-N 431.499 4.318 5 20 IIBD O=C(Nc1cccc(OC2CCCC2)c1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 23073594 KWIORXWWJSDOKQ-AWEZNQCLSA-N 427.432 4.047 5 20 IIBD O=C(COC(=O)c1ccccc1OC(F)F)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 24772780 KKWCRUUFJQOTAC-UHFFFAOYSA-N 434.273 4.011 5 20 IIBD CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(SC)ccc1[N+](=O)[O-] 26855152 LYVQBIPSSDJCKZ-UHFFFAOYSA-N 441.431 4.436 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2cccc(OCc3cscn3)c2)cccc1[N+](=O)[O-] 28286304 RIHBYUQAGVBICY-CQSZACIVSA-N 441.465 4.123 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1 61733063 XJDRTVQDNPMMDY-UHFFFAOYSA-N 444.451 4.173 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3cc(C(N)=O)ccc3C)cc2[N+](=O)[O-])n1 63947879 SCMJKOFAQKOKMR-UHFFFAOYSA-N 428.495 4.171 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-n2cccc2)cc1[N+](=O)[O-] 110389650 LYHHSHAPNNTRRD-UHFFFAOYSA-N 441.387 4.214 5 20 IIBD COc1cc(CCNC(=O)c2ccc(-c3ccc(F)cc3)s2)c([N+](=O)[O-])cc1OC 138012975 NBNHYLKTONDYDB-UHFFFAOYSA-N 430.457 4.452 5 20 IIBD CS(=O)(=O)c1ccc(N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)c([N+](=O)[O-])c1 301196302 ODYCMSFLLJTXKB-KRWDZBQOSA-N 449.287 4.022 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N(C)Cc3nccs3)c([N+](=O)[O-])c2)c(C)c1 301461471 ZAYPWEYLMFPWGR-UHFFFAOYSA-N 432.527 4.105 5 20 IIBD COc1ccccc1[C@@H]1CCCN1c1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl 301533648 KXXFBTSDMHIWKC-KRWDZBQOSA-N 426.860 4.144 5 20 IIBD O=[N+]([O-])c1cnc(N2CCCN(Cc3ccc(Cl)cc3)CC2)c(Br)c1 301540386 NULHABWQSJKDRW-UHFFFAOYSA-N 425.714 4.118 5 20 IIBD CC(C)n1c([C@H]2CCCN(c3ccc([N+](=O)[O-])cc3S(C)(=O)=O)C2)nc2ccccc21 302619388 GOAOLLIEDBAROO-INIZCTEOSA-N 442.541 4.313 5 20 IIBD O=C(NCC1(c2cccc(Br)c2)CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 303590833 HNULWHONDMTCBO-UHFFFAOYSA-N 444.329 4.419 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 303653830 FRHMQVHMTPDKOB-IBGZPJMESA-N 439.512 4.453 5 20 IIBD Cc1ccc(-c2ccnn2C)cc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 410416439 HEFVASQJVOGCCJ-UHFFFAOYSA-N 441.296 4.411 5 20 IIBD COc1ccccc1[C@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCCC1 426222752 ODQPQDCAVUMUTA-QFIPXVFZSA-N 438.528 4.115 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1cccc(OCc2cccnc2)c1 427912947 CRDSEIULNDEWNM-UHFFFAOYSA-N 430.420 4.135 5 20 IIBD COc1ccc(CN(C)C(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1OC(F)F 429936070 KVBUXGUQFFKZGF-UHFFFAOYSA-N 445.216 4.240 5 20 IIBD COc1cccc(C(=O)N(C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)c1[N+](=O)[O-] 435542714 QSNQTLMNGDZNNC-UHFFFAOYSA-N 426.391 4.434 5 20 IIBD Cc1cc(C)c2nc(C3CC3)cc(C(=O)N3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)c2c1 438312330 BBYFRLLNEWVDQW-KRWDZBQOSA-N 431.496 4.359 5 20 IIBD CC(C)N(C[C@H](O)COc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 444953599 IMGJJUODVPHDJG-HNNXBMFYSA-N 441.406 4.296 5 20 IIBD Cc1cccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])c1C(=O)N1CCCC1 445202962 HGFLVVGUSRABFC-UHFFFAOYSA-N 438.303 4.216 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCc1nc(-c2ccc(OC(C)C)cc2C(F)(F)F)no1 445232803 WFERCQVNRNGQRL-UHFFFAOYSA-N 425.367 4.198 5 20 IIBD Cc1c(Cl)cccc1NC(=O)Cc1noc(-c2ccc(NC3CC3)c([N+](=O)[O-])c2)n1 445332098 NGXPPCUGYUETJH-UHFFFAOYSA-N 427.848 4.362 5 20 IIBD O=c1ccc(-c2nc(-c3ccc([N+](=O)[O-])s3)no2)cn1CCOc1ccccc1Cl 445477368 NPAVXYCQHGPOBH-UHFFFAOYSA-N 444.856 4.267 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2OC(F)(F)F)c(Br)c1 446999806 GYCYZCOYZSEAQE-UHFFFAOYSA-N 441.181 4.057 5 20 IIBD CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 460448059 MLSPUQXCJSOMMO-LJQANCHMSA-N 439.512 4.461 5 20 IIBD CCS(=O)(=O)c1cccc(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)c1 460695897 TYFGSJOSYRWYDW-UHFFFAOYSA-N 445.522 4.002 5 20 IIBD O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 461679504 IVFQSCJOXUGSHF-GCJKJVERSA-N 429.517 4.220 5 20 IIBD O=[N+]([O-])c1ccc(Oc2cccc(NCc3ccc(S(=O)(=O)N4CCCC4)o3)c2)cc1 462232302 ZNPYDMOLEXWJKU-UHFFFAOYSA-N 443.481 4.377 5 20 IIBD O=C(c1ccc(CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)cc1)N1CCCCC1 462438459 WQENVCOCWYNREY-UHFFFAOYSA-N 446.507 4.807 5 20 IIBD Cc1cc(I)ccc1NC(=O)Cn1ccc2c([N+](=O)[O-])cccc21 462636072 BCQSZMZQPVSECF-UHFFFAOYSA-N 435.221 4.101 5 20 IIBD O=C(c1cc(Cl)cc(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 462923643 LCSXBWRIWIQVMH-UHFFFAOYSA-N 446.237 4.465 5 20 IIBD C[C@@H]1CCN(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)CC12CCCCC2 463209002 HOGDURBTJREMIG-OAHLLOKOSA-N 429.546 4.307 5 20 IIBD CN(CC(=O)Nc1nc(-c2ccccc2OC(F)F)cs1)c1ccccc1[N+](=O)[O-] 463483029 FNOVAEXSDZWIEU-UHFFFAOYSA-N 434.424 4.395 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)cc1 464195805 ASDGFJIKNJYENP-QGZVFWFLSA-N 447.513 4.354 5 20 IIBD CCc1ccc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)c2cccc(S(C)(=O)=O)c2)cc1 464363165 SEZXPHHHRNFLHD-QFIPXVFZSA-N 438.505 4.080 5 20 IIBD CC[C@@H](C)n1ncc2c(C(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)cc(C)nc21 464644160 RNSJQDYVSPCFND-MRXNPFEDSA-N 437.500 4.303 5 20 IIBD CN(C(=O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F)c1nc(-c2ccccc2[N+](=O)[O-])cs1 467990772 PTQMPJVKBSYNOP-TUVASFSCSA-N 427.404 4.037 5 20 IIBD COCCC[C@H](Cc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 471307027 KUODVUHZBMSHHS-GOSISDBHSA-N 425.510 4.486 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2N(C)C2CCCC2)cc1OC 475197021 LZRYVDRWBVRRBU-UHFFFAOYSA-N 443.500 4.260 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(n2c(O)nc3ccccc32)CC1 478238390 QHXIHXUEFJWYAI-UHFFFAOYSA-N 426.498 4.239 5 20 IIBD O=C(NCc1ccccc1COCc1ccccc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 480214738 OPDVPENPASKREA-UHFFFAOYSA-N 442.475 4.427 5 20 IIBD COc1cccc(C(NC(=O)CCNc2ccccc2[N+](=O)[O-])c2cccc(OC)c2)c1 480419882 SDVIFKMTRAQLQE-UHFFFAOYSA-N 435.480 4.320 5 20 IIBD CCn1cc(S(=O)(=O)N2CCCCC[C@H]2c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])n1 480613759 PYPBZFOGVPDHSX-HNNXBMFYSA-N 446.451 4.136 5 20 IIBD COc1cccc(CNC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1OC 481075417 KXHOOJQKLPYZNQ-IYBDPMFKSA-N 427.501 4.024 5 20 IIBD CC(C)Oc1cccc([C@H](C)NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1 481261509 SCQNZFKNUYREIX-AWEZNQCLSA-N 441.513 4.153 5 20 IIBD Cc1ccc([C@@H](C)NCc2cccc(OCCN(C)C3CCOCC3)c2)cc1[N+](=O)[O-] 482233449 XWQORXTUNUQZDT-LJQANCHMSA-N 427.545 4.244 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CN[C@@H](CO)c3ccc(Cl)cc3C(F)(F)F)n2)cc1 483270963 OWXBPPQRAIGKCA-HNNXBMFYSA-N 442.781 4.140 5 20 IIBD O=C(c1c([N+](=O)[O-])cccc1C(F)(F)F)N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1 484952067 UXISBMHDNITUEX-IRXDYDNUSA-N 433.430 4.208 5 20 IIBD O=[N+]([O-])c1ccn(C2CCN(c3nc(-c4cccnc4)nc4sc5c(c34)CCC5)CC2)n1 486005465 LANQUDQRXXWHLL-UHFFFAOYSA-N 447.524 4.188 5 20 IIBD O=C(c1ccc(N2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])c1)N1CCOCC1 486037666 MXLKGWQPNDBVOE-BHDDXSALSA-N 435.524 4.230 5 20 IIBD Cc1c(C(=O)N(CC(=O)Nc2ccc(Cl)cc2)Cc2cccnc2)cccc1[N+](=O)[O-] 486169666 ATOJSOHGCGEMAO-UHFFFAOYSA-N 438.871 4.233 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCC1CCN(Cc2ccccc2)CC1 486248327 FFXDGPDYZDCONU-UHFFFAOYSA-N 430.936 4.002 5 20 IIBD Cc1ccc(C[C@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c2ccccn2)cc1 486821473 SCVHWRHHUCLCRX-NRFANRHFSA-N 427.464 4.198 5 20 IIBD COc1cc(OCC(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)ccc1[N+](=O)[O-] 487132532 XHIYNVKSCMHDLL-UHFFFAOYSA-N 431.351 4.086 5 20 IIBD CCN(Cc1cccc(-c2ccncc2)c1)C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C 487977588 KEASGDGTWZZSPR-UHFFFAOYSA-N 442.479 4.208 5 20 IIBD CCC[C@@H](NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)N1CCc2sccc2C1 489138254 LXAOPGLDEHUVNB-MAUKXSAKSA-N 444.557 4.079 5 20 IIBD CN(CC(=O)NCc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 489520741 QTIQSTZLSVGAJQ-UHFFFAOYSA-N 435.505 4.134 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F 490835433 RXHHHFFXCKEKTJ-KRWDZBQOSA-N 432.362 4.055 5 20 IIBD COc1cc(CN[C@H]2CCN(c3ccccc3F)C2)c([N+](=O)[O-])cc1OCC(F)(F)F 492206900 FGMXHTXNSGHCFM-AWEZNQCLSA-N 443.397 4.052 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl 502016478 ZSNHVAVQAYGXAB-CYBMUJFWSA-N 438.311 4.457 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccccc1N1CCOCC1 502572882 VVSOPLUMAYLBCH-UHFFFAOYSA-N 429.542 4.206 5 20 IIBD COCCCN(C(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 504096043 NFIGBKRPRILDGG-AZWHEMLRSA-N 439.512 4.152 5 20 IIBD CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 504927001 MBJQAMVZYCOQCV-RDJZCZTQSA-N 437.587 4.067 5 20 IIBD CCCOc1cc(NC(=O)N2CCC[C@@H](N3CCCC3)C2)c([N+](=O)[O-])cc1OCCC 509744224 DQJHBEYTGGADQB-QGZVFWFLSA-N 434.537 4.265 5 20 IIBD COc1cc([C@@H](C)NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc(OC)c1OC 510860318 JYRYUEZLWKMMNP-SNVBAGLBSA-N 441.387 4.105 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](c1cccc2ccccc12)C(F)(F)F 511811103 UBTJEVKXZCPTJM-ORAYPTAESA-N 445.397 4.286 5 20 IIBD CCOc1cccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2I)c1 511986636 HKYHMQALAUVRNU-LLVKDONJSA-N 440.237 4.089 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2ccccc2NC(=O)NC(C)C)cc1[N+](=O)[O-] 512271425 RUOAZHASCUXYHB-UHFFFAOYSA-N 435.278 4.448 5 20 IIBD CN(c1ccccc1)c1ccc(CNCc2ccccc2CN2CC[C@H](O)C2)cc1[N+](=O)[O-] 514249990 NHOBXGZALAWFHP-DEOSSOPVSA-N 446.551 4.219 5 20 IIBD O=C(c1c(Cl)cccc1Cl)N1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 515434130 SJJINXPSBSTSSJ-UHFFFAOYSA-N 431.279 4.412 5 20 IIBD Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 518200826 VWTKGFDQJXZMGD-KRWDZBQOSA-N 425.304 4.192 5 20 IIBD O=[N+]([O-])c1ccc(OCCSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)cc1 519989794 ONQICJREZSJFJM-MRXNPFEDSA-N 432.527 4.265 5 20 IIBD O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)N1CCN(c2ccccc2[N+](=O)[O-])CC1 521912172 QOTJHEAOGLENQX-GOSISDBHSA-N 446.454 4.105 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(CSCc2ccccc2)c1 522605981 VRZQPHYTOLFZGF-UHFFFAOYSA-N 449.532 4.326 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Nc2cccc3c2CN([C@H](C)C(C)C)C3)c([N+](=O)[O-])c1 524323032 HQUGPBNMEKGHMW-JKSUJKDBSA-N 426.517 4.403 5 20 IIBD COc1cc(CN(C)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c(SC)cc1OC 525467613 QSKXNAAOIZBTIO-UHFFFAOYSA-N 431.514 4.180 5 20 IIBD CNC(=O)c1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c(Cl)c1 534386675 QEWKASZJBKFQGK-UHFFFAOYSA-N 430.892 4.096 5 20 IIBD CC(C)Oc1cccc(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 534408989 ITOXRNCYTUSAPO-UHFFFAOYSA-N 432.420 4.222 5 20 IIBD COc1cc(CN2CCO[C@@H](c3cccc(F)c3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F 536682620 MNSITBPPEHHRBO-LJQANCHMSA-N 444.381 4.257 5 20 IIBD O=C(Nc1ccccc1COCc1ccccc1)c1cccc([N+](=O)[O-])c1N1CCOCC1 537342296 AQZOMDPCCXXPQE-UHFFFAOYSA-N 447.491 4.401 5 20 IIBD CC(C)(C(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1)c1ccc([N+](=O)[O-])cc1 537550751 NWOMSTRJWFSWCX-KRWDZBQOSA-N 425.533 4.444 5 20 IIBD CCOc1cc(C(=O)Nc2cc(C)n(-c3cccc(Cl)c3)n2)c([N+](=O)[O-])cc1OC 538587704 VNYXMWQRIFCFSN-UHFFFAOYSA-N 430.848 4.402 5 20 IIBD Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] 539642713 AVXARRFLBUZARJ-IAGOWNOFSA-N 435.402 4.313 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CNCCNc3ccc(-c4ccccc4)nn3)cs2)c1 539710346 OQVULKFQYHPHLV-UHFFFAOYSA-N 432.509 4.377 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 541271103 HBGZFKFXERONGQ-RDTXWAMCSA-N 428.844 4.265 5 20 IIBD O=C(NCCC(=O)N1CCCCCC1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 542617923 FNQHUQJLQLCHGK-UHFFFAOYSA-N 433.574 4.400 5 20 IIBD CS(=O)(=O)c1cccc([C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)c2ccccc2)c1 543640076 RVIDVVZEZIOQRA-HXUWFJFHSA-N 443.456 4.049 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@@H](C)c2nnc(C)s2)c([N+](=O)[O-])c1 544703041 FWIVKJIPYLUQIJ-ZDUSSCGKSA-N 447.542 4.143 5 20 IIBD O=C(NC1CC1)N[C@H]1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 546264852 YOCUWNMINILLMR-INIZCTEOSA-N 430.892 4.076 5 20 IIBD Cc1cc(CN(C)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc(C)c1OCC(F)(F)F 546798564 DPCVTGXQHFRTCP-UHFFFAOYSA-N 446.447 4.115 5 20 IIBD CCn1c(Sc2ncc([N+](=O)[O-])cn2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 546899313 LADKXYYROGJEPC-UHFFFAOYSA-N 443.485 4.442 5 20 IIBD CC(C)OC(=O)C[C@H]1CCCN(C(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)C1 547358978 YGMZLZDRFPQXMJ-CEXWTWQISA-N 445.560 4.271 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1OCCn1ccnc1 555787276 OYQBPGNTGOCZFW-UHFFFAOYSA-N 445.273 4.194 5 20 IIBD Cc1cc(N2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 557743361 YUBUGCSVSSFCMU-OAHLLOKOSA-N 446.433 4.497 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2 560127086 YWWRUZQZUPOZBU-UHFFFAOYSA-N 439.465 4.029 5 20 IIBD Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1cc(I)cc([N+](=O)[O-])c1 564267466 ZNNWLQXJIBRCGV-UHFFFAOYSA-N 448.220 4.150 5 20 IIBD COc1ccc([C@@H](CN(C)C)NCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)cc1 574590591 YTQMUTBIOGDOIW-OAQYLSRUSA-N 425.485 4.265 5 20 IIBD COc1ccc(C(=O)C2CCN(C(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 604443061 WTEZDKLDWUNYCB-CQSZACIVSA-N 446.887 4.146 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@H](C)C(=O)N3CCCC[C@@H]3C)cc2[N+](=O)[O-])n1 608838707 AUKXBUMPPBCTED-UONOGXRCSA-N 448.570 4.030 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(F)cc1 608928263 BVVIKBUUJHMINF-UHFFFAOYSA-N 448.476 4.027 5 20 IIBD CC(C)N[C@H]1CCCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 609385587 BXEYYSQEYSAOBU-UWJYYQICSA-N 430.936 4.390 5 20 IIBD O=C(Nc1cc(C(F)(F)F)ccc1F)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 609504049 PWWZRMFMNXTKAO-GFCCVEGCSA-N 431.367 4.058 5 20 IIBD COC(=O)c1cc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])ccc1Cl 610335492 KFRVFRQHHJKXDR-UHFFFAOYSA-N 439.660 4.142 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2c2ccccc2Br)c(F)c1 610679606 RNDKZQZDFDKFKI-HNNXBMFYSA-N 429.267 4.022 5 20 IIBD O=C(C1CCCC1)N1CC[C@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 610771700 WRHHVYHHAACVDY-IBGZPJMESA-N 427.476 4.407 5 20 IIBD C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 611195077 ZRXIDSLLVHUVNP-CQSZACIVSA-N 435.509 4.205 5 20 IIBD CCOC(=O)c1nc(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)c[nH]1 618919326 HKPOXDLATCKCDF-UHFFFAOYSA-N 443.847 4.012 5 20 IIBD CCN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1OC 619477644 RXBLKWLZNCDHPD-UHFFFAOYSA-N 426.494 4.404 5 20 IIBD O=C(Nc1nc2ccccc2s1)c1ccc(I)c([N+](=O)[O-])c1 727746480 MTNODZUDTWKHSC-UHFFFAOYSA-N 425.207 4.061 5 20 IIBD COc1cc(COC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])ccc1OC(F)F 728463155 HMKFKWXACWLJPJ-UHFFFAOYSA-N 429.397 4.292 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)c1cnc(C2CC2)s1)c1cccc([N+](=O)[O-])c1 729324786 HULKODHVVHOJEH-INIZCTEOSA-N 429.498 4.171 5 20 IIBD Cc1nn(-c2ccccc2)c(Cl)c1C[S@](=O)Cc1cc([N+](=O)[O-])cc2c1OCOC2 730059890 CIPSFHUXBFWEFU-SSEXGKCCSA-N 447.900 4.058 5 20 IIBD Cc1c(C(=O)OC[C@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])oc2c(F)cccc12 730705929 SXIRQUGDZLBHKR-CQSZACIVSA-N 426.400 4.250 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 740483144 OEDKKDRIGHVGFF-GOSISDBHSA-N 426.300 4.257 5 20 IIBD O=C(Nc1nc2ccccc2n1C1CCCC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 740808629 CHFJUSXXCVWDAF-UHFFFAOYSA-N 435.484 4.149 5 20 IIBD Cc1ccc([C@@H](C)C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)o1 745663676 IUCHXMZGQBVQMV-CHWSQXEVSA-N 429.454 4.294 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C 750060786 BGPSURIHOSYSHS-KYJSFNMBSA-N 443.504 4.180 5 20 IIBD COc1ccc2c(c1)OCC[C@H]2NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 750889389 AANVDQALUPXGLV-CYBMUJFWSA-N 441.665 4.273 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] 753038141 NPOVJTDSMVGDKU-SJORKVTESA-N 434.537 4.253 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H]1CCOc2c1ccc(Cl)c2Cl 754073690 VNGJZFLBUUXCMR-ZDUSSCGKSA-N 438.267 4.097 5 20 IIBD CCn1ncc(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1-c1ccccc1 755723044 ISZICQLBANQRRF-CQSZACIVSA-N 433.424 4.446 5 20 IIBD O=C(NCCc1ccc(Br)cc1F)c1cccc([N+](=O)[O-])c1Br 758301199 CRKIZBIADDTXNR-UHFFFAOYSA-N 446.070 4.231 5 20 IIBD CN(CCC1CCN(c2ccncc2)CC1)C(=O)c1cccc([N+](=O)[O-])c1Br 758964650 SODNZCBXIGQUOQ-UHFFFAOYSA-N 447.333 4.131 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cnc(Cl)c(Br)c1 759162992 UEURJTRMSMVENX-ZETCQYMHSA-N 435.061 4.465 5 20 IIBD CN1CCC(N(C)[C@@H]2CCCC[C@H]2N(C)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 762237181 IRECNJSWMFJPPE-RTBURBONSA-N 437.972 4.049 5 20 IIBD CC(C)COC(=O)N1CCC(c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)CC1 762310769 XTZMBLCDIINBNN-UHFFFAOYSA-N 427.461 4.022 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)C[C@@H]21 762474396 KBDKKHDSELALRE-URLQWDBASA-N 449.523 4.163 5 20 IIBD Cn1nccc1CCNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 762490080 CRIUCIVSHLKYOV-UHFFFAOYSA-N 439.522 4.062 5 20 IIBD C[C@@H](OC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2)C(N)=O 765363456 NADLZEZJVHRXEB-UMWKZLPKSA-N 431.448 4.051 5 20 IIBD O=C(COC(=O)c1ccc(C(F)(F)F)nc1Cl)Nc1ccc([N+](=O)[O-])cc1Cl 766125046 GHSUWVKPYFXOMY-UHFFFAOYSA-N 438.145 4.111 5 20 IIBD C[C@H](NC(=O)COC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccc2c(c1)CCCC2 766221681 DBQZDUNXABANJV-HNNXBMFYSA-N 433.464 4.056 5 20 IIBD Cc1cccc(NC(=O)Nc2cccc(CNS(=O)(=O)c3csc([N+](=O)[O-])c3)c2)c1 768817977 UTSZGTDUFCXSCE-UHFFFAOYSA-N 446.510 4.087 5 20 IIBD O=C(Nc1cccc(COc2ccc3c(c2)OCO3)c1)c1cc(F)c([N+](=O)[O-])cc1F 769490433 ISYDWGRCCOBKPS-UHFFFAOYSA-N 428.347 4.433 5 20 IIBD CC(C)N1CCC(Nc2ccc([N+](=O)[O-])c(NC3CCN(C(C)C)CC3)c2[N+](=O)[O-])CC1 771148784 WTDTZCHZMMUMGX-UHFFFAOYSA-N 448.568 4.072 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 772202796 UJQADLQUYHPSLQ-HIFRSBDPSA-N 446.529 4.236 5 20 IIBD CCc1nc2ccccc2n1[C@@H]1CCCN(C(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)C1 773190134 RBLAVTWUXDCGNP-MRXNPFEDSA-N 445.479 4.238 5 20 IIBD O=C(O[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cc(F)ccc1[N+](=O)[O-] 776379966 TZZITABLKCWUDE-KRWDZBQOSA-N 440.349 4.101 5 20 IIBD Cc1nc([C@@H](NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccc(Cl)cc2)no1 777304191 MYVVUBOKYXXWMN-FQEVSTJZSA-N 427.892 4.288 5 20 IIBD COCc1cccc(CC(=O)O[C@@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])c1 778724959 PPBFUMIIJNOPLI-IBGZPJMESA-N 436.302 4.478 5 20 IIBD CC(C)(C)OC(=O)N1Cc2ccc(CNC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)cc2C1 781591144 ORVUWHWLKVEMMK-UHFFFAOYSA-N 436.468 4.257 5 20 IIBD O=C(Nc1ccc(N2CCc3sccc3C2)cc1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781636009 ORPWWJFJTALCII-OAQYLSRUSA-N 448.504 4.351 5 20 IIBD CN(C)c1ccc(COC(=O)CSCc2coc(-c3ccccc3)n2)cc1[N+](=O)[O-] 784498689 PXYLICNNXUGHKQ-UHFFFAOYSA-N 427.482 4.292 5 20 IIBD CC(C)Nc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cn1 787252319 LYQUIOOLYFEXDI-LLVKDONJSA-N 440.378 4.013 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)OCc2nc(-c3cccc(C(F)(F)F)c3)no2)c1F 787942595 DQXNWLRUNWRIPG-UHFFFAOYSA-N 425.294 4.468 5 20 IIBD CC1CCN(c2ccc(C(=O)O[C@@H]([C@@H]3CCCOC3)C(F)(F)F)cc2[N+](=O)[O-])CC1 789647765 CNUPRGPWIKJTIK-QAPCUYQASA-N 430.423 4.345 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)cc2[N+](=O)[O-])CC1 791191851 HJIVCPAIRHUHLV-PKOBYXMFSA-N 426.344 4.487 5 20 IIBD Cc1cc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])n(-c2ccc([N+](=O)[O-])cc2)n1 798243725 JMGSESDNSMRUOR-UHFFFAOYSA-N 444.407 4.311 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CCOC[C@@H]1c1nc2ccccc2s1 800236127 CHTWWZMHBZIRCS-CQSZACIVSA-N 448.298 4.181 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 803407955 SWWBXRWIVXDXAR-HSZRJFAPSA-N 430.460 4.364 5 20 IIBD O=C(NC1CCCCC1)OC[C@H]1CCCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 804875235 QJJBWLJUAGAPMS-LJQANCHMSA-N 447.535 4.345 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F 809125890 BOAYURAOUYKXAX-CQSZACIVSA-N 425.285 4.355 5 20 IIBD O=c1cc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)oc2cc(F)ccc12 809428208 GQLURSGVTHMUAV-UHFFFAOYSA-N 446.188 4.244 5 20 IIBD COc1ccc(CCCN(C)S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cc1 809810787 NJCOXEWKPRFENL-UHFFFAOYSA-N 433.313 4.164 5 20 IIBD O=[N+]([O-])c1cccc(NS(=O)(=O)c2cccc(Cl)c2Br)c1Cl 811831245 BWVNNKQKWIFWMR-UHFFFAOYSA-N 426.075 4.465 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N1CC[C@H](n2cccn2)C1 812874997 KVCAXYBCVGPKIP-FXAWDEMLSA-N 425.876 4.072 5 20 IIBD O=C1CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c2cc(Br)ccc2N1 813093825 PBJXIFPPGVCKGE-UHFFFAOYSA-N 445.056 4.263 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H](CO)c1ccc(Br)c(F)c1 814486433 MHICIDRVNNZWBG-ZDUSSCGKSA-N 432.633 4.005 5 20 IIBD CCOC(=O)[C@@H]1CCCc2sc(NC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])nc21 817501283 KDBSNRNATVFMOI-SNVBAGLBSA-N 441.868 4.008 5 20 IIBD Cc1cccc(C(=O)Nc2ccccc2C(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c1 847394727 BOGHEFRONVUGMX-INIZCTEOSA-N 447.447 4.340 5 20 IIBD Cc1cc(C)n2ncc(-c3noc(-c4cc([N+](=O)[O-])ccc4N4CCC(C)CC4)n3)c2n1 904378244 GRPSKQNDDSRTKE-UHFFFAOYSA-N 433.472 4.208 5 20 IIBD CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)NC(=S)N1 916191584 LKRLPFQJDMLMJX-LJQANCHMSA-N 445.472 4.271 5 20 IIBD O=C(c1ccnc(Cl)c1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 916419503 LDRACLOINUHWEK-UHFFFAOYSA-N 442.928 4.330 5 20 IIBD CC(C)CCOc1ccc(C(=O)N(C)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 916991801 SQVSCOINNWUZHD-UHFFFAOYSA-N 440.905 4.134 5 20 IIBD Cc1c(C(=O)Nc2cccc(COc3ccccc3)c2)nnn1-c1cccc([N+](=O)[O-])c1 917854164 FHJDAKWLZQUUKP-UHFFFAOYSA-N 429.436 4.315 5 20 IIBD CC(C)(C)c1ccc([C@H]2CCCN2C(=O)COC(=O)COc2ccccc2[N+](=O)[O-])cc1 918853498 CYKQQOJEWYMCGD-LJQANCHMSA-N 440.496 4.178 5 20 IIBD C[C@H](OC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1cccc([N+](=O)[O-])c1 919286949 DKAUMQVYXYSQMN-XJKSGUPXSA-N 436.386 4.267 5 20 IIBD CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CC(=O)N1CCc3ccc([N+](=O)[O-])cc3C1)C2 1116240594 CTHHWPXUSJYJKU-OALUTQOASA-N 429.517 4.048 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1I)c1ccc(Cl)c(F)c1 1253924216 YIZDXBYZHMQIDV-MRVPVSSYSA-N 448.619 4.483 5 20 IIBD Cc1ccc(NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(Cl)c1Cl 1323085015 MSEAHNNJADTSJG-UHFFFAOYSA-N 437.283 4.200 5 20 IIBD Cc1cccc(CN2CCCC[C@@H]2C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 1323350761 KWPJDKOLYILOML-XMSQKQJNSA-N 439.512 4.137 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1 1323520839 JTFPPRJJXWZRGF-NRFANRHFSA-N 433.512 4.101 5 20 IIBD Cc1cncc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(F)c4[N+](=O)[O-])CCC3)cc2)c1 1787433064 YOEIIGZXCFCMKK-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD C/C=C/C=C\C(=O)NC1(c2ccc(NC(=O)Cc3ccc(OC)cc3[N+](=O)[O-])cc2)CCC1 1790571769 JFLYDZAOXFMIII-BZDQXIRASA-N 449.507 4.412 5 20 IIBD O=C(CCc1ccco1)NC1(c2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2)CCC1 1790618572 HRGOFVKRXRVTFN-UHFFFAOYSA-N 449.463 4.274 5 20 IIBD C[C@H](Cc1ccccc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C2 1802635638 HPHDRAQSFTUQHI-TWHAJKEOSA-N 449.551 4.044 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCC2(CCCN(C(=O)CC3CCCC3)C2)CC1 1808938678 LWLPBMQRJUREKE-UHFFFAOYSA-N 443.544 4.034 5 20 IIBD CC(C)=CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 1830257549 SSDKRWIYEZSEHI-JOCHJYFZSA-N 443.544 4.280 5 20 IIBD C/C=C/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(C)c([N+](=O)[O-])c2)CC1 1830364576 STNCMTNJYWDLGW-RJNGPHDSSA-N 439.556 4.198 5 20 IIBD CC/C=C(\C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830497990 OZRQOKDRQBXWKJ-GFZYJOBSSA-N 431.508 4.324 5 20 IIBD CCOC(=O)c1cc(C(=O)OCc2csc(-c3cccc(OC)c3)n2)cc([N+](=O)[O-])c1 10858185 HXLAHKBPFPIKPP-UHFFFAOYSA-N 442.449 4.261 5 20 IIBD Cc1cc(Br)c(NC(=O)COc2ccc([N+](=O)[O-])cc2)c(Br)c1 11035177 NFDPOIYLVGJUKQ-UHFFFAOYSA-N 444.079 4.446 5 20 IIBD CC1CCN(c2nnc(S[C@@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)n2C2CC2)CC1 11985587 OLENWWRQRMLJTM-ZDUSSCGKSA-N 448.524 4.016 5 20 IIBD Cc1c(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)cccc1[N+](=O)[O-] 15744238 FETMRCLTTSTOQV-UHFFFAOYSA-N 447.419 4.235 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)nnc1C1CC1 17827720 YIQNYYGJJMJKBQ-SECBINFHSA-N 429.424 4.222 5 20 IIBD COc1ccc([C@@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)c2c[nH]c3ccccc23)cc1 18074506 DCQAPLGWGGDQMJ-LJQANCHMSA-N 430.464 4.229 5 20 IIBD CC(=O)NCCCc1ccc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3C)n2)cc1 18706392 TZFYMMKESSWZED-UHFFFAOYSA-N 438.509 4.348 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccc(Cl)cc3)n[nH]2)c([N+](=O)[O-])c1 24075018 UTAHIQHWYXZMJU-SNVBAGLBSA-N 433.877 4.161 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 26120971 IWWXDTLYMCMDCA-HXUWFJFHSA-N 428.441 4.166 5 20 IIBD Cc1ccc([C@@H](OC[C@@H](O)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)c2ccccc2)cc1 59374297 NKGPLMONIFUXPT-ZEQRLZLVSA-N 444.491 4.329 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(N3CCCCC3)cc2)ccc1[N+](=O)[O-] 110315636 RSXPWBLZHWKVJP-QFIPXVFZSA-N 436.512 4.137 5 20 IIBD Cc1nnnn1-c1cc(NC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)ccc1F 110720426 SGUWUQQUMHLJKJ-UHFFFAOYSA-N 444.492 4.409 5 20 IIBD CC(C)NC(=O)c1ccc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 301164934 HDXVWSJUJVNCCB-NRFANRHFSA-N 431.920 4.336 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C3)cs1 301963071 UEUADNOGAGWCSK-UHFFFAOYSA-N 441.581 4.116 5 20 IIBD CCc1oc2ccccc2c1CN(C)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 302795702 ZXBSCVJKTRMMAZ-UHFFFAOYSA-N 437.452 4.250 5 20 IIBD COc1cc(C(=O)N2CCC(c3ccc(Br)cc3)CC2)cc([N+](=O)[O-])c1OC 410414565 QFVMOSWAHAWMBO-UHFFFAOYSA-N 449.301 4.394 5 20 IIBD COc1ccc(CN[C@@H](Cc2csc(-c3ccccc3Cl)n2)C(=O)O)cc1[N+](=O)[O-] 426738732 YKCVVEQTDQBILM-INIZCTEOSA-N 447.900 4.166 5 20 IIBD COCc1cc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc(C(=O)O)c1 427679605 QHCNCLXNASWFPX-UHFFFAOYSA-N 435.436 4.304 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CCC(O)(C(F)F)CC2)cc1 428474246 RHOUIGVNGYBSAK-UHFFFAOYSA-N 428.439 4.040 5 20 IIBD CCCC[C@@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)C1CCC1 430307057 URSDGWRNPSBNGN-CQSZACIVSA-N 426.311 4.079 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 431777038 WCEAXMFBRBPTTQ-INIZCTEOSA-N 433.258 4.106 5 20 IIBD CC(C)(C(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)c1ccccc1[N+](=O)[O-] 431830837 DJMMXQZSRADZHT-UHFFFAOYSA-N 442.468 4.483 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1NC1(Cc2ccc(F)cc2Br)CCOCC1 432169154 JNFUNRKQLSHUKN-UHFFFAOYSA-N 441.301 4.225 5 20 IIBD C[C@@H](c1ccccc1Cl)N(C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)C1CC1 435610744 MFSKLRWZCTZFPL-ZDUSSCGKSA-N 441.871 4.267 5 20 IIBD O=C(c1cccnc1)N1CCc2cc(Nc3cc(C(F)(F)F)ncc3[N+](=O)[O-])ccc21 436403577 JCTPLKNLBNXODO-UHFFFAOYSA-N 429.358 4.350 5 20 IIBD Cc1cc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)ccc1C(=O)NC(C)C 438053096 SXRBMMSZKAPQQR-UHFFFAOYSA-N 440.500 4.117 5 20 IIBD Cc1c(CC(=O)Nc2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)cccc1[N+](=O)[O-] 438826963 AASUXYSAQDAWJN-UHFFFAOYSA-N 445.541 4.038 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N[C@@H]2CCSc3ccccc32)cc1[N+](=O)[O-] 439243325 DJUKPXNTWDOJKI-CQSZACIVSA-N 443.344 4.181 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl 440079900 NJSXYIZLIDXLHD-CQSZACIVSA-N 438.267 4.043 5 20 IIBD COCc1nc(CN[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1 442864628 GKYVVHVKBLIFJL-HNNXBMFYSA-N 440.525 4.372 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCC(CO)(Cc2ccccc2)CC1 444619664 KQFHDFZDHOASGZ-UHFFFAOYSA-N 444.506 4.278 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@H]1CCOc2ccc(Br)cc21 445901847 ZTJHUHNGQIZTLJ-HNNXBMFYSA-N 434.290 4.060 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(Cc2cccc3ccccc23)o1 446767711 JDLVELLHPGRAOH-UHFFFAOYSA-N 438.465 4.085 5 20 IIBD COC(=O)CCNC(=O)c1ccc(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1 446883044 HZHHTKKBZUULLR-UHFFFAOYSA-N 439.493 4.228 5 20 IIBD Cc1cccc([C@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c1 447018991 VRAZMHROVYSUFN-MRXNPFEDSA-N 425.304 4.192 5 20 IIBD O=C(C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(F)cc1 448448068 ZHYWOCXYBKZVNC-CQSZACIVSA-N 435.249 4.374 5 20 IIBD CCn1c(-c2ccc(F)cc2Br)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 460291781 SBXAMGBWLCGWPQ-UHFFFAOYSA-N 446.280 4.338 5 20 IIBD O=C(c1ccc(OCC(F)(F)C(F)F)nc1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 460349827 IWYMWACIYNZPKC-MRXNPFEDSA-N 445.394 4.157 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CC[C@@H](COCc2ccccc2)C1 460507992 DNMFIAJSWXLMIT-MRXNPFEDSA-N 438.402 4.215 5 20 IIBD CCc1cc(NC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)nc(C)n1 460646156 CEITVDVZJMPBOD-UHFFFAOYSA-N 436.493 4.461 5 20 IIBD CC[C@H](c1ccccc1)c1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1C[C@H]1CCOC1 461546266 BGCXPHKLZVGWFR-WZONZLPQSA-N 447.539 4.327 5 20 IIBD CCO[C@H](C)c1noc(CN(C)c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])n1 463070481 NYJBRKFGDKADGE-OAHLLOKOSA-N 439.472 4.272 5 20 IIBD COc1cccc(OC)c1OC1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 463953783 WZCLSCCNRABOQW-UHFFFAOYSA-N 429.473 4.304 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1CS(=O)(=O)c1ccccc1 466270849 JGYOCDFGJMCMDK-UHFFFAOYSA-N 444.896 4.152 5 20 IIBD O=C(NCc1ccnc2ccnn12)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 466280491 ZNLKEXZILMXVMY-UHFFFAOYSA-N 439.884 4.372 5 20 IIBD COc1cc(C(=O)Nc2cc(-c3ccnn3C)ccc2C)c([N+](=O)[O-])cc1OC(F)F 466560878 CVDOAHAVUDUSJA-UHFFFAOYSA-N 432.383 4.166 5 20 IIBD CC[C@H](Cc1ccccc1Br)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 467583913 LUSWWAMTFMYMDJ-GDBMZVCRSA-N 447.333 4.034 5 20 IIBD O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 468660968 UBLXBNSBIJTDPY-NRFANRHFSA-N 438.871 4.205 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CC[C@@H](c4c(F)cccc4F)C3)cc2)c(C)c1[N+](=O)[O-] 469377385 QDJQPGPHLICKNH-GOSISDBHSA-N 440.450 4.364 5 20 IIBD COc1ccc(CNC(=O)Nc2ccc(OCc3ccccn3)c(F)c2)cc1[N+](=O)[O-] 472936131 CPEUASVHMHYONI-UHFFFAOYSA-N 426.404 4.038 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)[C@H]1CCCC[C@H]1N(C)C1CCN(C)CC1 475566130 RRFCWCLDRRYBQK-RTWAWAEBSA-N 431.581 4.013 5 20 IIBD Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 477598731 PJSDVASSBCZHCX-UHFFFAOYSA-N 432.908 4.307 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(Cc2nc3ccccc3s2)CC1 479025642 WJIATOKDAHSBFA-UHFFFAOYSA-N 442.566 4.275 5 20 IIBD CC(=O)Nc1sc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)nc1-c1ccccc1 479343857 JXSHUGRLWMNYHD-UHFFFAOYSA-N 433.449 4.477 5 20 IIBD Cc1c(CNC(=O)N(C)[C@@H]2CCOc3ccc(Br)cc32)cccc1[N+](=O)[O-] 480076208 VMLLULSTMXBDOC-QGZVFWFLSA-N 434.290 4.331 5 20 IIBD CN(Cc1nc(O)c2sccc2n1)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 481550473 BINZABZGZHJAGB-UHFFFAOYSA-N 449.492 4.189 5 20 IIBD C[C@H](CC(N)=O)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2 482288539 UKKGVZCWEUAYPO-ARSNJYAISA-N 444.491 4.014 5 20 IIBD C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 484978503 HAEPSCQPNNGMDN-AUUYWEPGSA-N 449.429 4.343 5 20 IIBD CCOC(=O)c1cc(NC2CCN(C(=O)[C@H](CC)c3ccccc3)CC2)ccc1[N+](=O)[O-] 485832310 XWRLQRADZRRHQD-HXUWFJFHSA-N 439.512 4.368 5 20 IIBD CC(=O)N1CC[C@@H](NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c2ccccc21 486442282 OOLVUOYXEWBVGP-JOCHJYFZSA-N 445.475 4.402 5 20 IIBD C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 487017255 RKISKQVYPKHPID-GOSISDBHSA-N 434.496 4.013 5 20 IIBD CC(C)(NC(=O)NCCc1cccc(OCC(F)(F)F)c1)c1ccccc1[N+](=O)[O-] 490352746 LFCBSSXFXVFHBC-UHFFFAOYSA-N 425.407 4.313 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cc(F)ccc2SCC(F)F)cc1[N+](=O)[O-] 494036962 HUIGQGXXPRGTRT-NSHDSACASA-N 441.431 4.215 5 20 IIBD CS(=O)(=O)c1cccc([C@H](NCCc2cccc([N+](=O)[O-])c2)c2ccc(F)c(F)c2)c1 495009946 RSPGGUIGSTUXJA-QFIPXVFZSA-N 446.475 4.198 5 20 IIBD COc1ccc(Oc2cc(CNC(=O)c3ccc([N+](=O)[O-])c4cccnc34)ccn2)cc1 498169619 ICUNVIPYUFOTBL-UHFFFAOYSA-N 430.420 4.269 5 20 IIBD COc1cc(OCC(=O)N[C@H](C)[C@H](C)c2ccccc2C(F)(F)F)ccc1[N+](=O)[O-] 500145637 SRFXYGGOXWWNAM-QWHCGFSZSA-N 426.391 4.309 5 20 IIBD Cc1c(-c2ccccc2)sc2ncn(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)c12 500914637 ADQJDESLTISHRY-UHFFFAOYSA-N 445.460 4.440 5 20 IIBD COc1cccc(Oc2ccc(CNC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)cn2)c1 501331706 WYMALWNEWSPGAI-UHFFFAOYSA-N 434.452 4.295 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N(Cc1csc(Br)c1)C1CC1 502392686 OLRBRLMQOLLWCP-UHFFFAOYSA-N 447.314 4.409 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)NC[C@H](OCC1CC1)c1ccc(Cl)cc1 503541780 NFZTYJZETCXBCM-IBGZPJMESA-N 443.891 4.092 5 20 IIBD Nc1c(C(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)cc(F)cc1[N+](=O)[O-] 505362031 KCKNKIQLQBQGAF-UHFFFAOYSA-N 445.454 4.158 5 20 IIBD Cn1cc(C(=O)N[C@H]2C[C@H]2c2ccccc2C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 505563645 APMTUDYOJVCUOJ-YJBOKZPZSA-N 430.386 4.300 5 20 IIBD O=C(NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)c1cc(O)cc([N+](=O)[O-])c1 506679541 QUGRCTKBRWMJPM-UHFFFAOYSA-N 433.342 4.437 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 506725200 OWLUICJJXQFBER-UHFFFAOYSA-N 444.900 4.011 5 20 IIBD CCOc1cc(C(=O)N[C@H](C)c2ccc(F)c(Br)c2)c([N+](=O)[O-])cc1OC 507725607 QVIDSBCQHQFDTK-SNVBAGLBSA-N 441.253 4.395 5 20 IIBD Cc1ccc(Cl)cc1C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 508407055 RFYRJNSMBNWHAW-UHFFFAOYSA-N 437.886 4.098 5 20 IIBD Cc1c(Br)cc(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)cc1[N+](=O)[O-] 510479911 QPLNVTRNHTZOJF-AWEZNQCLSA-N 447.333 4.016 5 20 IIBD CCCCn1ncc(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)c1C 512861781 UQEQJPDFJCXYQM-UHFFFAOYSA-N 442.257 4.065 5 20 IIBD CCOc1cc(NC(=O)N2CC[C@@H](n3ncc4ccccc43)C2)c([N+](=O)[O-])cc1OCC 512907767 URSSGTLYYPMQED-MRXNPFEDSA-N 439.472 4.221 5 20 IIBD O=C(Nc1ccccc1)c1cccc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)c1 514884496 KBDDSEQQMKZYGA-UHFFFAOYSA-N 427.420 4.285 5 20 IIBD COc1ccccc1N(Cc1ccc(OC)c([N+](=O)[O-])c1)S(=O)(=O)c1cccs1 515594239 JHOGQGPNVIZZNZ-UHFFFAOYSA-N 434.495 4.069 5 20 IIBD C[C@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] 515662992 VNWAOSFAESMMJP-OKILXGFUSA-N 444.919 4.362 5 20 IIBD COc1cc2c(cc1OC)CN(C(=O)COc1ccc(-c3ccccc3)cc1[N+](=O)[O-])CC2 517915401 GBEZXSJYDBSSQK-UHFFFAOYSA-N 448.475 4.243 5 20 IIBD CS(=O)(=O)c1cc(C(=O)Nc2nc3ccccc3n2C2CCCCC2)cc([N+](=O)[O-])c1 518621746 NZQFLUXLSQARGP-UHFFFAOYSA-N 442.497 4.106 5 20 IIBD C[C@@H](Cc1cccc(Br)c1)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 519121481 ITFWHRUCRNRUPP-ZDUSSCGKSA-N 443.301 4.119 5 20 IIBD C[C@@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(Cc2ccc(Cl)cc2[N+](=O)[O-])C1=O 522502002 VIQGTENTTHFNII-KRWDZBQOSA-N 427.766 4.234 5 20 IIBD CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2)c1 523092972 ASKZVUIYKNHYHB-UHFFFAOYSA-N 430.413 4.182 5 20 IIBD O=C(N[C@H](c1ccc(Cl)cc1)C1CCCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 524554552 NDWKXPVGDPXEAA-FQEVSTJZSA-N 425.876 4.490 5 20 IIBD CC[C@H](c1ccccc1)N(CC(=O)OC)C(=O)Cc1ccc([N+](=O)[O-])cc1Br 534888332 KHZXIEQSDYELOG-GOSISDBHSA-N 449.301 4.053 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@H]1Cn1cnc2ccccc21 535967893 BANYBQPBSRHFHW-AWEZNQCLSA-N 431.399 4.242 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NC[C@H]2CCO[C@H](C)C2)cc1[N+](=O)[O-] 536148344 CBQFDLDPQOOYAL-CABCVRRESA-N 428.510 4.093 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](c2ccccc2)c2nc3ccccc3n2C)c1 538414538 LKVBSPJGNNZGBC-XMMPIXPASA-N 444.491 4.465 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(S(C)(=O)=O)cc1 538521016 DUXMTIZWLHPDKK-UHFFFAOYSA-N 436.555 4.163 5 20 IIBD COc1ccc(-n2nc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)cc2C)cc1 538843675 XFBFEKNKLNQIBJ-UHFFFAOYSA-N 435.465 4.473 5 20 IIBD C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 542190689 QBOJLJBZSUWZLK-BIXPNRAVSA-N 426.947 4.297 5 20 IIBD COC(=O)c1sc2ccccc2c1CSc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C 545111327 RLOOEHRQHWQKLN-UHFFFAOYSA-N 441.490 4.135 5 20 IIBD O=[N+]([O-])c1ccccc1Cc1noc(-c2ccc(-n3cc(Br)cn3)cc2)n1 546942535 QMKPMIOHJANQHG-UHFFFAOYSA-N 426.230 4.184 5 20 IIBD O=[N+]([O-])c1cccc(-n2ccc(-c3nc(Cc4nc5ccccc5n4C(F)F)no3)n2)c1 547030882 XQZDQRCTECQGKE-UHFFFAOYSA-N 437.366 4.166 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@@H](CO)c1ccc(C(F)(F)F)cc1 548116183 ZZMXLPZNPUFGDZ-ZDUSSCGKSA-N 437.296 4.488 5 20 IIBD CC(C)[C@H](c1ccccc1)N(C)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 551495356 KEKJBJYWPGPKOG-QGZVFWFLSA-N 434.290 4.152 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc(F)c(F)cc1Br 552717348 ZRLKHUYOOMVQHG-SECBINFHSA-N 431.258 4.433 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ncnc2c1c(C)c(C)n2C[C@@H]1CCCO1 554792895 CGWVKEQVLQYYDO-KRWDZBQOSA-N 437.500 4.313 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(c2noc3cc(F)ccc23)CC1 558465490 DIHXFLGSISZODN-UHFFFAOYSA-N 426.448 4.392 5 20 IIBD CCOC1(C)CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)CC1 559922872 QAHBDQDMKFYUBZ-UHFFFAOYSA-N 449.554 4.164 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cccnc3OCc3ccccc3F)n2)c1 565859873 GXDDDSMWIZMBJO-UHFFFAOYSA-N 436.399 4.357 5 20 IIBD C[C@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(Cc2ccc(Cl)cc2[N+](=O)[O-])C1=O 569028690 PWALKYQLEPZYBN-QGZVFWFLSA-N 427.766 4.234 5 20 IIBD Cc1cc(=O)c(-c2nc(-c3ccccc3OCC(C)C)no2)nn1-c1ccccc1[N+](=O)[O-] 569399590 XLFUGDMXDNVHJJ-UHFFFAOYSA-N 447.451 4.201 5 20 IIBD CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 577753712 CASKBSUTCNMQPM-GTNSWQLSSA-N 425.254 4.311 5 20 IIBD O=C(c1ccc[nH]1)c1cc(Cl)ccc1NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 578472848 QMIMDAXYKUIUGV-UHFFFAOYSA-N 440.843 4.234 5 20 IIBD COc1cc(Cc2noc(-c3ccc(Oc4cccnc4)cc3)n2)c([N+](=O)[O-])c(OC)c1 581646599 QYNSGNAPZCZALP-UHFFFAOYSA-N 434.408 4.440 5 20 IIBD CCOc1cc(C(=O)N[C@H](C)c2nc3ccccc3n2C(F)F)c([N+](=O)[O-])cc1OC 590644475 NDPYGXLJMGDGSH-LLVKDONJSA-N 434.399 4.238 5 20 IIBD O=C(Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 604077457 OLWCEYCJMXTEIZ-UHFFFAOYSA-N 434.431 4.452 5 20 IIBD Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)cc([N+](=O)[O-])c1 604450223 RWTYFGUBCKPAAL-UHFFFAOYSA-N 431.514 4.109 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1csc(-c2ccc3c(c2)OCO3)n1 608806531 PESRUFDJNVVRRB-UHFFFAOYSA-N 425.466 4.498 5 20 IIBD COc1cc(C(=O)NCc2ccc(OC(C)C)cc2C(F)(F)F)c([N+](=O)[O-])cc1OC 608810280 YSTLBVZCWBOJIO-UHFFFAOYSA-N 442.390 4.348 5 20 IIBD Cc1cc(NS(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)n(-c2ccc([N+](=O)[O-])cc2)n1 608927001 WIFJELBIUSBZFK-UHFFFAOYSA-N 440.403 4.217 5 20 IIBD COc1ccc(CC(=O)N(CC(=O)Nc2ccccc2)c2cc(C)cc(C)c2)cc1[N+](=O)[O-] 609218308 FGTCJMPMBTVFJI-UHFFFAOYSA-N 447.491 4.435 5 20 IIBD Cc1c(C(=O)Nc2cccc(CS(=O)(=O)c3ccc(F)cc3F)c2)cccc1[N+](=O)[O-] 609755295 HPKOJLIOPKXRKL-UHFFFAOYSA-N 446.431 4.408 5 20 IIBD COCCOc1ccccc1C(=O)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 609817668 WCLIHYJTGOIPCK-UHFFFAOYSA-N 448.435 4.318 5 20 IIBD O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 609839346 QLUPNKXQCGHXLV-UHFFFAOYSA-N 442.903 4.003 5 20 IIBD Cc1ccc(CN(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C2CC2)cc1C 610118602 BIEPDRRFJIWADE-UHFFFAOYSA-N 437.525 4.296 5 20 IIBD CC[C@H](CCO)NC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 610145933 IYJRVGKPEHDMHN-CYBMUJFWSA-N 425.844 4.140 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)c1 612133382 ZBPFFYBLSDNGQQ-DUXKGJEZSA-N 425.554 4.347 5 20 IIBD CC(C)OCCCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O 612386171 MUMSNANVEIPUKS-UHFFFAOYSA-N 441.509 4.095 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 617281584 UHQBZXLMGGZOMK-UHFFFAOYSA-N 430.258 4.046 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2C)c1 725716664 YACZMCRBGGATNG-UHFFFAOYSA-N 448.435 4.302 5 20 IIBD Cn1c(COC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)nnc1C1CC1 727181143 MSDDVLZFCPRSPJ-UHFFFAOYSA-N 441.875 4.223 5 20 IIBD O=C(OCc1nc(-c2cccc(Br)c2)no1)c1c(Cl)cccc1[N+](=O)[O-] 730643583 MGOPQHYDVUHWSC-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD C[C@@H](CC(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)c1ccccc1 732858652 KUUSUPUQVMRFFM-LBPRGKRZSA-N 438.358 4.004 5 20 IIBD COc1ccc(OC(F)F)c(COC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1 734327989 ISKMXSSEYDKQGV-UHFFFAOYSA-N 432.173 4.324 5 20 IIBD C[C@H](C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O)C(C)(C)C 734389760 WWFKQHDQTCIDEB-HGLKBHAMSA-N 439.921 4.083 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])OCc1cccc(C(=O)N2CCCCC2)c1 735148462 QGDFBPMEASEWPW-UHFFFAOYSA-N 446.887 4.387 5 20 IIBD O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](c1ccccc1)N1CCCCC1=O 735601541 ZODFUMVQDMWJIS-NRFANRHFSA-N 435.436 4.047 5 20 IIBD COC(=O)CN(C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1)c1ccccc1 736034965 NYXHIOAQYVPIII-UHFFFAOYSA-N 443.506 4.331 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)CN(C)C(=O)c1ccc(Br)s1 736161224 VCOPXEDGDGWWQO-UHFFFAOYSA-N 446.710 4.091 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 739471997 UFRSKDZHNBBCEH-HUUCEWRRSA-N 432.502 4.350 5 20 IIBD C/C(=C/C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(C(F)(F)F)cc1 740790226 GQYAAKWZBHZPSK-PFONDFGASA-N 447.413 4.002 5 20 IIBD COc1cccc(-n2c(NC(=O)COc3ccc([N+](=O)[O-])c(F)c3)nc3ccccc32)c1 741988542 GJMCRCJZLDQIAZ-UHFFFAOYSA-N 436.399 4.099 5 20 IIBD C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC1 741995392 BFGQWUCKTDZVOI-CYBMUJFWSA-N 436.281 4.015 5 20 IIBD C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)(C)CN(C)C 742185497 NUEGLOFKHVMSEZ-CQSZACIVSA-N 446.935 4.207 5 20 IIBD CCOC(=O)c1nc(-c2ccccc2)oc1COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 744476203 ZZSLZZKXXWUDLR-UHFFFAOYSA-N 430.800 4.437 5 20 IIBD O=C(OCc1nc(CC(F)(F)F)no1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 744493361 ACZGPGRFDYQFEO-UHFFFAOYSA-N 436.346 4.052 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)Nc2cc(C)cc(C)c2)c([N+](=O)[O-])cc1OC(F)F 744532901 DNRQTOWAKPJFSV-LBPRGKRZSA-N 438.383 4.006 5 20 IIBD Cc1ccc(N2CCC[C@@H](OC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)C2=O)cc1 744895805 WFICOGPZTQECSV-LJQANCHMSA-N 437.477 4.379 5 20 IIBD O=C(C[C@H]1Oc2ccccc2NC1=O)OCc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1 752216222 GYEPFCOBBVYZGB-OAQYLSRUSA-N 434.404 4.220 5 20 IIBD O=C(OCC1CCS(=O)(=O)CC1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 753576170 UIYPYYUQKDBFTE-UHFFFAOYSA-N 439.873 4.022 5 20 IIBD Cn1cc(CCC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c2ccccc21 756663820 CIEGFKGVRCEVJX-UHFFFAOYSA-N 449.385 4.220 5 20 IIBD O=C(COC(=O)c1cnc2ccc(F)cc2c1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 758633834 QSVNLAIFLKMPHC-UHFFFAOYSA-N 437.305 4.096 5 20 IIBD O=C(OCCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cnc(-c2ccccn2)s1 759268730 NXVONAFPRBAUDZ-UHFFFAOYSA-N 439.371 4.368 5 20 IIBD COCCOc1cc(C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)nc2ccccc12 760542280 LRPXJNJYBNCYSY-UHFFFAOYSA-N 449.419 4.180 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3cccc([C@H]4CCOC4)c3)CC2)ccc1[N+](=O)[O-] 762063692 KCLHKDCQIAYGMR-IBGZPJMESA-N 440.496 4.323 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn23)C1 762925888 IGOWHRVQNXQVSI-WSVPDTOYSA-N 445.401 4.076 5 20 IIBD O=C(O[C@@H]1CCO[C@@H](C2CCOCC2)C1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 763125688 SOYPUELTVBYSKQ-DENIHFKCSA-N 426.469 4.469 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1Cl 763811125 SQRKRGIHCDXORS-LBPRGKRZSA-N 438.889 4.171 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 764586734 VRLUOARPCHJDJX-CABCVRRESA-N 437.562 4.472 5 20 IIBD CCCN1CCN(c2ccc(NC(=O)c3cccc(OC)c3[N+](=O)[O-])cc2Cl)CC1 766477886 LIBQSVVAEREMQQ-UHFFFAOYSA-N 432.908 4.041 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)c1ccc(OS(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1 767597606 OSCCPCJGDXJCCX-CQSZACIVSA-N 436.486 4.089 5 20 IIBD CC(C)(C)OC(=O)C1CCC(NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 770077522 NRQPDHCRTJWKBO-UHFFFAOYSA-N 442.310 4.379 5 20 IIBD CC(C)(C)OC(=O)N1CCc2ncc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)cc2C1 773407265 VPSMADKBOGANHN-UHFFFAOYSA-N 444.513 4.014 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@H]3CCc4c(Cl)cccc43)CC2)ccc1[N+](=O)[O-] 776090287 IWGCZGWMKVYITO-SFHVURJKSA-N 430.888 4.499 5 20 IIBD O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1C[C@H](O)c1ccc([N+](=O)[O-])cc1 776278594 UNWAFNJLCJYEMZ-KRWDZBQOSA-N 427.869 4.420 5 20 IIBD C[C@H](OC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)c1nc2ccccc2n1C(F)F 776288292 FAFKFLFTGRQJBA-ZDUSSCGKSA-N 446.410 4.094 5 20 IIBD O=C(Nc1ccccc1)c1ccc(OC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1 779323991 JLJPXKMCUCQMDC-UHFFFAOYSA-N 428.404 4.252 5 20 IIBD COc1cc(COC(=O)C2(c3cccc(F)c3)CC2)c([N+](=O)[O-])cc1OCC(F)F 780066535 CIKVCIPMHLPGGZ-UHFFFAOYSA-N 425.359 4.161 5 20 IIBD C[C@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@@H]1CNC(=O)OC(C)(C)C 780851926 KNETZTYOGFJHED-KSFYIVLOSA-N 449.551 4.447 5 20 IIBD O=C(O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1cn(-c2cccc(Cl)c2)nn1 781537593 GDDGTGMUCPVKAC-HXUWFJFHSA-N 435.827 4.170 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N(Cc1ccc(F)cc1F)C1CCCC1 783399193 RAZHWNCAVAZVPA-UHFFFAOYSA-N 437.830 4.436 5 20 IIBD CCCCN(C)c1ccc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 783889883 NXKIHVYJNKAGKS-UHFFFAOYSA-N 426.517 4.207 5 20 IIBD O=C(N[C@@H]1CC[C@@H]2SCCS[C@@H]21)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 784466589 DIBVSHATEGOGBQ-YZGWKJHDSA-N 430.551 4.283 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@@H]1C[C@H](O)c1cccs1 787340567 HDLVMGHJXZPSCS-ZBFHGGJFSA-N 443.447 4.473 5 20 IIBD COc1ccc(N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1OCC(=O)NC1CC1 788589051 KLPMGDQPRKXKKV-IBGZPJMESA-N 425.485 4.095 5 20 IIBD CSc1ccccc1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1I 791899721 KUSXKJDVCIVVRK-UHFFFAOYSA-N 442.278 4.194 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCCC(c1ccccc1)c1ccccc1 800595427 CVKULYFWCAIHIV-UHFFFAOYSA-N 435.455 4.319 5 20 IIBD O=C(COC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)Nc1ccc([N+](=O)[O-])cc1Cl 801898655 RJDLEEIMZRWSQQ-HNNXBMFYSA-N 434.729 4.460 5 20 IIBD CC(C)(c1ccccc1)[C@H](OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C(F)(F)F 802125873 KADRPNJNXIKQOX-KRWDZBQOSA-N 445.415 4.064 5 20 IIBD Cc1c(NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)ccnc1Cl 810299574 NBTVOHMZDVDLEM-UHFFFAOYSA-N 425.670 4.304 5 20 IIBD O=C(N[C@H]1c2ccccc2CC12CCOCC2)c1cccc([N+](=O)[O-])c1Br 812315504 YKSVDICJTMMYIM-SFHVURJKSA-N 431.286 4.181 5 20 IIBD CCS(=O)(=O)Nc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1C 813417901 ZOWFWRNYUXOTCS-UHFFFAOYSA-N 432.285 4.224 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 912654812 BFHRJZAAGRBGTH-UTCJRWHESA-N 440.809 4.024 5 20 IIBD CCOc1cc(NC(=O)N(C)Cc2ccn(-c3ccccc3)n2)c([N+](=O)[O-])cc1OCC 916674327 ZSAUJLNMKFNJNS-UHFFFAOYSA-N 439.472 4.242 5 20 IIBD CCn1c(-c2cccc(C)c2)nn(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1=S 917456989 PAHVUHUNOUKHGT-UHFFFAOYSA-N 438.557 4.097 5 20 IIBD CC(C)Cc1ccc(C(=O)C2CCN(Cn3cc(Br)c([N+](=O)[O-])n3)CC2)cc1 917615813 WEWDLNCXZCHXJE-UHFFFAOYSA-N 449.349 4.305 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)Nc1nc(Cc2ccc(Br)cc2)cs1 917714501 SJFWSJKORGREFT-UHFFFAOYSA-N 448.298 4.422 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 917943566 VMKHTIXCPKUHJP-UHFFFAOYSA-N 436.346 4.163 5 20 IIBD Nc1cc([N+](=O)[O-])ccc1C(=O)OCC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 918800214 MYLFVNFWPDFHKZ-QGZVFWFLSA-N 438.267 4.004 5 20 IIBD C[C@H](OC(=O)c1cccc(NC(=O)c2ccco2)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 919529949 NJCGCBVWYDNNKN-ZDUSSCGKSA-N 448.391 4.408 5 20 IIBD C[C@H](OC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(OC(F)F)cc1 920551637 BTIROIJLWZBPMY-LBPRGKRZSA-N 445.378 4.025 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Oc1ccc(C(=O)Nc2cccnc2)cc1 921008901 UMMITFZTVHZDRI-ZDUSSCGKSA-N 441.827 4.268 5 20 IIBD C[C@@H](OC(=O)c1csc(Cc2ccc(Cl)cc2)n1)C(=O)Nc1ccccc1[N+](=O)[O-] 1248655128 ZRFSARJQCQPFBB-GFCCVEGCSA-N 445.884 4.480 5 20 IIBD CCOC(=O)c1ccn(-c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3SCC)c2)n1 1319703065 YVXXDRUUYDQIQV-UHFFFAOYSA-N 440.481 4.322 5 20 IIBD Cc1ccc(CNC(=O)C2CCN(Cc3ccc([N+](=O)[O-])cc3Br)CC2)cc1 1324150022 IAEVUOFLPGKCJG-UHFFFAOYSA-N 446.345 4.194 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)c3ccns3)CCC2)cc1 1785792078 PRTMCKPGZXPEDD-UHFFFAOYSA-N 436.493 4.042 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)NC1(c2ccc(NC(=O)c3cscn3)cc2)CCC1 1787415986 GRRASVRIHYVGJN-SOFGYWHQSA-N 438.465 4.105 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@H]3CCC=CO3)cc2)CCC1)c1cc(F)cc([N+](=O)[O-])c1 1789504112 IHGIBKUIKLRUAJ-HXUWFJFHSA-N 439.443 4.174 5 20 IIBD CC(=O)NC1(c2ccc(NC(=O)c3ccc(Br)c([N+](=O)[O-])c3)cc2)CCC1 1790642511 ZKWVPMPXKZQCHK-UHFFFAOYSA-N 432.274 4.125 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)NC1(c2ccc(NC(=O)[C@H]3[C@H]4SC=C[C@H]43)cc2)CCC1 1791083555 DXICJWYQPZNIGH-NNWRFLSQSA-N 449.532 4.147 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC2(CCC2)C1 1793080725 ADBDQLARKCXOLI-REPLKXPHSA-N 445.947 4.009 5 20 IIBD CC[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2cc([N+](=O)[O-])ccc2F)CC1 1794062772 FPVWMASFNNKJGX-FWIIZBITSA-N 445.535 4.131 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(F)ccc2s1)c1ccc([N+](=O)[O-])o1 1798085597 CXVCVVTVXJWGAA-QDMKHBRRSA-N 443.456 4.107 5 20 IIBD Cc1ccccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1829943388 RTVSRKARTHJKFV-XMMPIXPASA-N 449.551 4.379 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CC2(CCCN2C(=O)c2cc3c(Cl)cccc3s2)C1 1843803837 YBUYBZADOIVBAJ-UHFFFAOYSA-N 445.884 4.187 5 20 IIBD CC(C)C1(C(=O)N2CCCC23CN(C(=O)C2(c4cccc([N+](=O)[O-])c4)CCC2)C3)CCC1 1846746099 PDSBRPVXUAIPGY-UHFFFAOYSA-N 439.556 4.046 5 20 IIBD CC(C)(C)CCCCCC(=O)N1CC2(CCCN2C(=O)Cc2cc(F)ccc2[N+](=O)[O-])C1 1847049875 WYJDKSGAPMLBBZ-UHFFFAOYSA-N 447.551 4.476 5 20 IIBD O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)Nc1cccc([N+](=O)[O-])c1 3596405 LUCBQBHKBCZPFW-UHFFFAOYSA-N 435.465 4.225 5 20 IIBD Cc1oc(-c2ccccc2)nc1C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 9717887 SNYCFSWIQBVHMQ-GFCCVEGCSA-N 429.816 4.396 5 20 IIBD C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)COc1ccc([N+](=O)[O-])cc1)OCCO3 10366497 ZHZDKOSYXRBFNQ-INIZCTEOSA-N 438.480 4.160 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2[N+](=O)[O-])n1 15345469 SNRSEFPHNWAULX-UHFFFAOYSA-N 440.550 4.473 5 20 IIBD CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 15389816 MIYKRTUGUNSAOG-INIZCTEOSA-N 442.324 4.392 5 20 IIBD Cc1ccc(CC(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 17949013 SFCAHMJQKNIRHV-AWEZNQCLSA-N 425.466 4.140 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 19163136 VWOPSRFWMMQWKW-UHFFFAOYSA-N 443.456 4.201 5 20 IIBD C[C@H](Sc1nc(COc2ccc(Cl)cc2)n[nH]1)C(=O)Nc1ccccc1[N+](=O)[O-] 21747849 OOPGCKYDSVCTHS-NSHDSACASA-N 433.877 4.065 5 20 IIBD COc1ccc2cc(CN(C)C(=O)[C@@H](C)OC(=O)c3ccc([N+](=O)[O-])s3)ccc2c1 23345003 CTTXEVFGBZCWEK-CYBMUJFWSA-N 428.466 4.022 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 28789129 CTSAZMOQJNKFHD-UHFFFAOYSA-N 435.465 4.475 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 29773642 WONKMNXSRZHEPG-INIZCTEOSA-N 433.961 4.463 5 20 IIBD O=C(N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 64934335 YMJCADBPLRNGEW-HXUWFJFHSA-N 437.477 4.371 5 20 IIBD CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 72045698 NUDVTYXJDITPDE-UHFFFAOYSA-N 447.966 4.399 5 20 IIBD Cc1cc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)n(-c2ccc([N+](=O)[O-])cc2)n1 105583819 WJOAGICNGFGGAV-UHFFFAOYSA-N 446.217 4.012 5 20 IIBD COc1cccc(C(=O)NCCNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)c1 237336918 TXHZUJSBOCITFN-UHFFFAOYSA-N 439.443 4.054 5 20 IIBD Cc1cccc(C)c1NC(=O)CN1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 301869523 IGBPDSCQHCNKJP-UHFFFAOYSA-N 440.544 4.150 5 20 IIBD COc1cc(C(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)c([N+](=O)[O-])cc1OC 303441926 CFGIHJFDEAYINQ-UHFFFAOYSA-N 427.432 4.252 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1 427461408 ZRFMVJDYRIYSPL-UHFFFAOYSA-N 426.816 4.156 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cccc(F)c3-c3nc[nH]n3)cc2[N+](=O)[O-])C1 428231961 SPEJWBADPNVUKW-OKILXGFUSA-N 438.463 4.254 5 20 IIBD Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 430152953 UMTCNJYGVYOTGQ-UHFFFAOYSA-N 435.484 4.214 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@@H]2c3ccccc3CC[C@@H]2C)cc(Br)cc1[N+](=O)[O-] 430347781 YAGBBABILGEVAO-VOJFVSQTSA-N 446.301 4.044 5 20 IIBD Cc1c(Cl)cccc1NC(=O)CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] 431034245 UVZKGKFCLDSYGL-UHFFFAOYSA-N 440.681 4.078 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccc2sc(C(=O)O)cc2c1 431546260 QDLRGBGOMBTZIR-UHFFFAOYSA-N 435.255 4.451 5 20 IIBD Cc1ccc(C(=O)Nc2ccccc2)cc1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 433701895 IOAWJAOVQHLXPO-NRFANRHFSA-N 430.464 4.373 5 20 IIBD COc1ccc(C[C@@H](NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c2ccccc2)cc1OC 433945623 IZDZUUYCEILZLN-QGZVFWFLSA-N 438.484 4.172 5 20 IIBD O=C(Cc1ccccc1)NCCC(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435448934 MIUQJGJAXRBKPE-UHFFFAOYSA-N 441.534 4.495 5 20 IIBD Cc1cc(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 435512528 XUAIGNJWFOCHPG-XMSQKQJNSA-N 448.527 4.429 5 20 IIBD O=C(NCc1ccc(CN2CCCC2)cc1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 435835385 MXLLKHGPFTUTDM-UHFFFAOYSA-N 447.485 4.485 5 20 IIBD O=C(NCc1ccnc(N2CCCCC2)c1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436066798 OOPMUGNAEWCJRZ-UHFFFAOYSA-N 448.473 4.275 5 20 IIBD Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c(C)c1 436105371 PMLZFRZTWHKHOQ-UHFFFAOYSA-N 427.504 4.317 5 20 IIBD COc1cc(N[C@H]2CCCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])C2)cc(OC)c1 436401890 YLEGINKTOVVBOM-LBPRGKRZSA-N 426.395 4.107 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(Br)c(O)c(Br)c1 436734561 ASDYAIFJFGIZLY-UHFFFAOYSA-N 444.079 4.098 5 20 IIBD CCOc1cc(-c2noc([C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)ccc1O 436870079 OABWWEPCIYOSQS-QGZVFWFLSA-N 438.440 4.035 5 20 IIBD CCCN(C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)C)c1cccc([N+](=O)[O-])c1 441444368 WDKRFWKRULWJEG-QFIPXVFZSA-N 436.512 4.203 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCCc1c[nH]c2ccc(Cl)cc12 446254618 DAOYZLUZXDEGEE-UHFFFAOYSA-N 436.693 4.393 5 20 IIBD Cc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])c2c(C)nn(C)c2n1 446426639 SMNCTGXZVKWHCS-UHFFFAOYSA-N 431.452 4.325 5 20 IIBD CCOC(=O)c1cc(C(=O)N[C@@H](C)c2ccc(-n3nc(C)cc3C)cc2)cc([N+](=O)[O-])c1 461595361 SZOXLZUSSGVSDX-INIZCTEOSA-N 436.468 4.065 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN3CCC(F)(F)[C@H](CO)C3)o2)c(Br)c1 462862404 NRIMHDDTTYHZJV-NSHDSACASA-N 431.233 4.067 5 20 IIBD Cn1cncc1CNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 464704720 FQZDKDCKCRXDOU-MHWRWJLKSA-N 433.493 4.185 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 467230393 NJJFTMMUHSOSNX-CQSZACIVSA-N 444.797 4.025 5 20 IIBD C[C@H]1OCC[C@@]1(O)CN(Cc1ccccc1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 468735198 QABGFRCRDCFUDM-MZNJEOGPSA-N 426.513 4.075 5 20 IIBD Cc1ccc(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1NC(=O)C(C)(C)C 470363575 IUAQCLAJLZSVIZ-UHFFFAOYSA-N 426.473 4.183 5 20 IIBD C[C@@H]1OCC[C@]12CN(C(=O)c1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)CCO2 470656845 CONCHBIGKXFBSV-QKKBWIMNSA-N 432.860 4.061 5 20 IIBD CN(Cc1ccc(Br)cc1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] 470956304 BXAYWXXWLIQOGP-UHFFFAOYSA-N 428.080 4.392 5 20 IIBD Cc1cccc(-n2c(SCc3c([N+](=O)[O-])ncn3C)nc3cc(Cl)ccc3c2=O)c1 476476488 OLLQGCGDLXJLOV-UHFFFAOYSA-N 441.900 4.282 5 20 IIBD C[C@H]1[C@H](C)CCC[C@H]1n1c(SCc2c([N+](=O)[O-])ncn2C)nc2ccccc2c1=O 476478929 BVOXMOFOHXRYFK-JKIFEVAISA-N 427.530 4.328 5 20 IIBD C[C@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C(F)(F)F 479387772 RWGHRFPYBNJJMS-SNVBAGLBSA-N 427.345 4.145 5 20 IIBD O=C1CCc2cc(NC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)ccc2N1CC1CC1 482579618 HZJJMVAKVADFGD-UHFFFAOYSA-N 434.496 4.481 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[C@H]2c2ccc(Br)c(F)c2)s1 485404244 JGVWEMRILUJNRD-LBPRGKRZSA-N 449.323 4.303 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3cc(COC(C)(C)C)on3)cc2[N+](=O)[O-])C1 485542016 PTCRGDZYYQUXSB-IYBDPMFKSA-N 444.532 4.310 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cccc2cc(Br)cnc12 486785499 JDEVRCLUZMEQFJ-UHFFFAOYSA-N 431.246 4.236 5 20 IIBD COC1CCN(C(C)(C)CNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 487648123 PRPDTHNOVCCKCU-UHFFFAOYSA-N 443.569 4.365 5 20 IIBD Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 487998670 ZLVFNZHJXMIFJZ-SFHVURJKSA-N 441.919 4.323 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)cc1[N+](=O)[O-] 488043810 ACWZGJBJWCDLJC-PBHICJAKSA-N 449.429 4.148 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCn2c(nnc2C(F)(F)F)C1 489510108 NDLCOIGQHVITEF-UHFFFAOYSA-N 449.414 4.012 5 20 IIBD COc1cc(OC)c(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1Br 491074220 GRMYTHKGLURISB-SNVBAGLBSA-N 441.303 4.494 5 20 IIBD O=C(Nc1ccc(-n2cncn2)nc1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 491489600 ASQIGTMKKHZACR-UHFFFAOYSA-N 449.858 4.088 5 20 IIBD C[C@H]1[C@H](NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CCN1Cc1ccccc1 494061218 VCCXOFVCWYXOQZ-KSFYIVLOSA-N 429.495 4.213 5 20 IIBD C[C@@H]1CN(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)CC[C@@H]1O 497826670 WOUDHBQRHUVFPW-PXAZEXFGSA-N 437.855 4.092 5 20 IIBD COc1ccc(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cc1Oc1ccc(C)nn1 498776448 HQPHPTBJOQLFBD-UHFFFAOYSA-N 447.407 4.000 5 20 IIBD CCOC(=O)c1cc(C(=O)N(CC)Cc2cccc(Br)c2)cc([N+](=O)[O-])c1 498933053 XBCRRGLLYSDLAE-UHFFFAOYSA-N 435.274 4.196 5 20 IIBD CCCc1noc2nc(CC)cc(C(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)c12 499886584 MYXKDVPLSONWNB-UHFFFAOYSA-N 438.484 4.330 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCCN(CC(F)F)CC3)cc2[N+](=O)[O-])cc1 501613402 AFLIRMNLTQNSCE-UHFFFAOYSA-N 435.496 4.467 5 20 IIBD CCOC(=O)c1cc(C(=O)NCc2ccc(Oc3cccc(F)c3)nc2)cc([N+](=O)[O-])c1 501746594 QEUDDNOOVCPSGH-UHFFFAOYSA-N 439.399 4.028 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[C@@H](Oc2ccccc2Cl)C1 502339441 JAFWBUCOQVQBPB-QGZVFWFLSA-N 429.904 4.145 5 20 IIBD COc1ccccc1-c1ccc([C@H](C)NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)cc1 503503439 IVYTZXREMMCCFG-KRWDZBQOSA-N 440.521 4.494 5 20 IIBD CCOC(=O)c1cc(C(=O)N(C)[C@@H](C)c2ccccc2Br)cc([N+](=O)[O-])c1 503652536 KGRKIYHLLBDOFL-LBPRGKRZSA-N 435.274 4.367 5 20 IIBD CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cc1ccc([N+](=O)[O-])cc1F 503737525 JHLVJEZLYWNCBT-UHFFFAOYSA-N 432.839 4.417 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 506742546 HSNWXVKGFOYEKQ-QFIPXVFZSA-N 443.459 4.058 5 20 IIBD O=C(Nc1ccc2c(c1)COC2)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 508412254 OWYNUQBTTIVXTP-UHFFFAOYSA-N 435.402 4.499 5 20 IIBD COc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1[N+](=O)[O-] 508942546 RMMHYSZBWUZIIA-INIZCTEOSA-N 438.267 4.154 5 20 IIBD Cc1ccc(C(C)C)c(Oc2ccc(CNC[C@@H](O)CN3CCCC3)cc2[N+](=O)[O-])c1 509602373 NZAODMLBJRETCQ-HXUWFJFHSA-N 427.545 4.365 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)CCCc2cc(-c3ccccc3)no2)cc1C 509679365 HXOUIFXJNXLOLT-UHFFFAOYSA-N 429.498 4.120 5 20 IIBD COc1ccc(CN(CC2CCC2)C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)c(OC)c1 510835847 GPDBZPCUPWNXGJ-UHFFFAOYSA-N 443.500 4.133 5 20 IIBD CCN(Cc1ccccc1Br)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 512281089 PXRDDFGIPCNIHM-UHFFFAOYSA-N 429.274 4.205 5 20 IIBD Cn1cc(CN2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 512532098 LPUYVAMVVCHLKF-UHFFFAOYSA-N 443.511 4.160 5 20 IIBD Cn1ccnc1[C@@H](NCC1(c2ccc3c(c2)OCCO3)CCCC1)c1cccc([N+](=O)[O-])c1 513702820 NJNYMHDMRIVEBI-QHCPKHFHSA-N 448.523 4.291 5 20 IIBD O=C(c1cc2occc2s1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 514181006 YSNBBXAHTFPYGB-UHFFFAOYSA-N 425.388 4.384 5 20 IIBD Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 515631518 ZTYZCBGRQRFPLV-GJZGRUSLSA-N 445.541 4.131 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cccc(OCc2cn3ccccc3n2)c1 518298223 GNGKIGGMHRHQTE-UHFFFAOYSA-N 432.436 4.229 5 20 IIBD O=C(N[C@@H](COc1ccccc1F)c1ccccc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 520027309 DMLKKRNAAKNNLF-QFIPXVFZSA-N 446.438 4.470 5 20 IIBD CCOc1ccccc1[C@@H](CC)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 522570568 YLZHMFFCHCEBOG-CTNGQTDRSA-N 439.512 4.174 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(Cl)c1SCC(F)F 522958601 ZVLIPCQSQLNBGH-UHFFFAOYSA-N 438.861 4.415 5 20 IIBD COc1ccccc1-c1ccc([C@H](C)NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1 525594122 ITGILCIQHRQKKE-INIZCTEOSA-N 443.463 4.342 5 20 IIBD CC(C)(C)c1nc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)cc2[nH]1 530287295 DBYZTVKSFDGKOB-HNNXBMFYSA-N 441.513 4.073 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(Oc3ccccc3Cl)nc2)cc([N+](=O)[O-])c1 530590923 HRQFYKPTXNWQMM-UHFFFAOYSA-N 427.800 4.474 5 20 IIBD CC(C)N1CCC(O)(CNCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 531609361 DASXYLXXNRKORY-UHFFFAOYSA-N 433.936 4.365 5 20 IIBD Cc1onc(-c2cccc(Br)c2)c1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 533097330 XXZPUPNXRVKYJK-UHFFFAOYSA-N 446.257 4.130 5 20 IIBD CC(C)[C@@H](NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)c1nc(-c2nc[nH]n2)no1 533104255 GYZWJDKJDMQBCR-LJQANCHMSA-N 448.487 4.018 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2nc(C)co2)c1 534214760 IFAIAEXHHJLVSM-UHFFFAOYSA-N 441.465 4.466 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2cc(-c3cccnc3)[nH]n2)cc1[N+](=O)[O-])c1ccccn1 535120930 SWUXXVRHOXMFAC-CQSZACIVSA-N 429.440 4.200 5 20 IIBD CC(C)Cn1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c(C(F)F)n1 536444762 KQZASRZZKBVLEA-UHFFFAOYSA-N 431.237 4.329 5 20 IIBD COc1cc(CN(C)Cc2c(C)nc3sccn23)c([N+](=O)[O-])cc1OCC(F)(F)F 537637698 NGOFRPMNFMCEFM-UHFFFAOYSA-N 444.435 4.194 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 537642855 DBOYLKHDFDGQFK-KRWDZBQOSA-N 433.302 4.496 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] 539143776 KHOVVTGXVUMOAI-FZKQIMNGSA-N 436.306 4.275 5 20 IIBD Cc1ccc(CN2CCOCC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C 539359209 GQFQXCDFFAVOTC-UHFFFAOYSA-N 429.542 4.488 5 20 IIBD O=C(Nc1ccnc(OCC(F)(F)C(F)F)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 539430324 UCUVIBDBDVMKTR-UHFFFAOYSA-N 442.369 4.466 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)c1 539526284 WJMKLURPNHBSMU-UHFFFAOYSA-N 433.464 4.241 5 20 IIBD CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 539681822 CABFTTHBKDCYNQ-UFRUDQCGSA-N 433.464 4.249 5 20 IIBD O=C(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)Nc1nc2c(F)c(F)c(F)cc2s1 539756581 JIGUYOMQPYUFRO-UHFFFAOYSA-N 433.371 4.124 5 20 IIBD O=C(NCCc1c(Cl)cccc1Cl)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 540511346 OIMMHPSHNHZHNM-UHFFFAOYSA-N 438.296 4.143 5 20 IIBD COc1cc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)ccc1NC(=O)c1cccnc1 541613406 DMVKOMATXPXGKM-ZDUSSCGKSA-N 438.415 4.132 5 20 IIBD CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 542033137 MFYMTTVWASXWDE-UHFFFAOYSA-N 445.863 4.350 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H](c2cccc(C(F)(F)F)c2)C2CC2)cc1 543599731 YPFTVZVYRXTXKZ-SFHVURJKSA-N 428.432 4.128 5 20 IIBD Cc1nc(COc2ccc(F)cc2)sc1-c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 545786100 LZPKBQFLDJDPDC-UHFFFAOYSA-N 427.417 4.114 5 20 IIBD O=C(Nc1ccccc1-c1noc(-c2cc(Br)cc([N+](=O)[O-])c2)n1)C1CC1 546991661 IZJDFDSOQNMHAQ-UHFFFAOYSA-N 429.230 4.423 5 20 IIBD Cc1c(Cc2noc(Cc3csc(NC(=O)c4ccccc4)n3)n2)cccc1[N+](=O)[O-] 547198274 ICTUCBVRRBOBGV-UHFFFAOYSA-N 435.465 4.177 5 20 IIBD Cc1c(CNC(=O)C(=O)N[C@H](C)c2ccccc2Oc2ccccc2)cccc1[N+](=O)[O-] 553013962 ZZGBSDDFBKLPJB-QGZVFWFLSA-N 433.464 4.189 5 20 IIBD CCN(CC(=O)N1CCCCCC1)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 553645065 DHZUFRPWVVERBD-UHFFFAOYSA-N 438.528 4.072 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] 556540894 JLJPVISRSIOBMD-QWHCGFSZSA-N 429.439 4.316 5 20 IIBD COc1cc(CNCc2ccsc2Br)c([N+](=O)[O-])cc1OCC(F)F 559074269 YRXNWNLHXPONDW-UHFFFAOYSA-N 437.262 4.361 5 20 IIBD COCC[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(Cl)c(Cl)c1 560191860 ICTFBPVHUZRCKQ-MRXNPFEDSA-N 440.283 4.043 5 20 IIBD COc1ccc(NC(=O)Cc2noc(C(C)(C)c3ccc([N+](=O)[O-])cc3F)n2)cc1Cl 564268046 UJMSCDMVYUTVGM-UHFFFAOYSA-N 448.838 4.286 5 20 IIBD CCOc1ccc(O[C@@H](C)c2nnc(N(Cc3ccccc3[N+](=O)[O-])C3CC3)n2C)cc1 565980482 XTAIVAUOGVUEPG-INIZCTEOSA-N 437.500 4.431 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2nccn2Cc2ccccc2Cl)cc1OC 571117683 RHKRTOZUCHZOHU-UHFFFAOYSA-N 430.848 4.153 5 20 IIBD CC(C)[C@H](NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(Cl)cc1F 571475885 LUJIWFGBWUZRJP-FQEVSTJZSA-N 447.894 4.392 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 571488836 QERAFEAQRZGITF-UHFFFAOYSA-N 438.484 4.253 5 20 IIBD Cn1cc(-c2nc(-c3ccc(N4CCCCC4)nc3)no2)c(-c2ccc([N+](=O)[O-])cc2)n1 572086494 ONYNEFVPTMGNHK-UHFFFAOYSA-N 431.456 4.098 5 20 IIBD CC[C@@](C)(NC(=O)c1ccccc1)c1noc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 574197945 MKHZFNDVRHNWLC-HSZRJFAPSA-N 435.484 4.300 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)cc1[N+](=O)[O-] 575008463 LKVGAHVVMNZQDR-MLGOLLRUSA-N 433.867 4.296 5 20 IIBD C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)c1cccc([N+](=O)[O-])c1 577697539 RVCQDMFVRCLAHU-YVEFUNNKSA-N 436.295 4.317 5 20 IIBD Cc1cnc(-c2cnn(C)c2NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)o1 578369104 VDFRDXAEMULNDQ-ZIAGYGMSSA-N 438.488 4.026 5 20 IIBD O=C1COc2c(cccc2NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)N1 583844663 VHVVHPURSPNFKV-UHFFFAOYSA-N 427.482 4.460 5 20 IIBD Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NCc3ccc(-c4nc5ccccc5s4)o3)cc21 585703443 PIRWGCFCFPTYOV-UHFFFAOYSA-N 435.465 4.267 5 20 IIBD COc1cc(CN[C@H]2CC[C@](O)(C(F)(F)F)C2)c([N+](=O)[O-])cc1OCc1ccccc1 589938513 UTFSIQPCGZOALI-OXJNMPFZSA-N 440.418 4.118 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(Sc3nncs3)cc2)cc1[N+](=O)[O-] 604116635 BBRGGORNMANQTR-UHFFFAOYSA-N 442.931 4.360 5 20 IIBD CC1(C)CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 609418535 WCWCEGHAHBRKCE-MRXNPFEDSA-N 425.304 4.129 5 20 IIBD NC(=O)c1ccc(N2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)c([N+](=O)[O-])c1 609513248 VTHNQWMASJDBLL-UHFFFAOYSA-N 449.442 4.040 5 20 IIBD COc1cc(C(=O)NCc2cccc(COCc3ccccc3)c2)cc([N+](=O)[O-])c1OC 610171983 ZWTIUIBDOJUETD-UHFFFAOYSA-N 436.464 4.259 5 20 IIBD COc1ccc(Oc2ccc(NC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)cn2)cc1 610186129 FARZEQQZEQSCEP-UHFFFAOYSA-N 445.435 4.444 5 20 IIBD C[C@H](OCCCNC(=O)COc1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 610219577 SKZJZCJQABWWFF-AWEZNQCLSA-N 437.290 4.020 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@H]1c1nc(C(C)(C)C)cs1 610301575 MNIZDOCKHSNWTQ-YOEHRIQHSA-N 444.557 4.221 5 20 IIBD CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 612997990 SLHNCVVYVXLNKP-OAQYLSRUSA-N 433.524 4.041 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([C@H]2CCCCCN2C(C)=O)CC1 613182222 RFCXTLWXWHAIOQ-NFBKMPQASA-N 429.561 4.193 5 20 IIBD CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])CC1 618188481 CXSDPLMQKGXMNQ-FQEVSTJZSA-N 440.496 4.193 5 20 IIBD CCOCCNC(=S)/C(=C(/O)c1ccc([N+](=O)[O-])cc1)[n+]1ccc(C(C)(C)C)cc1 725762138 FTZLQCSGKXIODV-UHFFFAOYSA-O 430.550 4.017 5 20 IIBD COc1cc(OC)c2cc(C(=O)OCc3cc([N+](=O)[O-])ccc3OC(C)C)[nH]c2c1OC 729117833 MTYQVPSKFHAHJZ-UHFFFAOYSA-N 444.440 4.246 5 20 IIBD COc1ccc(NC(=O)COC(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 730636531 XUWWSAGLJSJTJX-NSHDSACASA-N 441.267 4.271 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](CCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 733328623 WPUJVDFCDQSORW-OAHLLOKOSA-N 432.546 4.455 5 20 IIBD CC[C@H](C)c1ccc(C(=O)COC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 733558548 LCQHZCXJIVHNLO-YOEHRIQHSA-N 444.509 4.201 5 20 IIBD O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 734896611 SYXXDRNYICVSFU-INIZCTEOSA-N 441.292 4.160 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@H](c2ccccc2Br)C1 735468731 QDQYLKINANKHGB-KRWDZBQOSA-N 439.693 4.153 5 20 IIBD C[C@@H](CC(=O)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccc(C(F)(F)F)c1 738740542 ASARMZPBWFSTKD-ZDUSSCGKSA-N 436.386 4.240 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Br)c1ccc(OC2CCOCC2)cc1 741946593 ISYLQJGOXGLRHO-UHFFFAOYSA-N 436.258 4.272 5 20 IIBD COC(=O)C[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(Cl)c1 743795962 SKYPYUCCQNYFBG-HNNXBMFYSA-N 441.267 4.091 5 20 IIBD O=C(Nc1nc2ccc(Br)cc2[nH]1)c1ccc(Br)c([N+](=O)[O-])c1 744379498 OMDAAPUGOKBKSI-UHFFFAOYSA-N 440.051 4.248 5 20 IIBD C[C@H](OC(=O)[C@H](C)c1cccc(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 745364534 HLUCROUJTOEPQU-MNOVXSKESA-N 428.338 4.427 5 20 IIBD Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1NC(=O)OC(C)(C)C 745454815 VBPGNZRNPJTKDI-CQSZACIVSA-N 443.456 4.434 5 20 IIBD C[C@H](c1nc(-c2ccccc2)no1)N1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 746659797 ZHFYKRACINOMBR-OAHLLOKOSA-N 427.892 4.177 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl 747121987 CINBKEWKOLBLOT-GFCCVEGCSA-N 429.329 4.414 5 20 IIBD COc1cc(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)ccc1OC(C)C 747639733 RNHQRFKFCFLWMV-UHFFFAOYSA-N 427.482 4.444 5 20 IIBD O=C(Nc1ccccc1C(=O)Nc1ccn(CC(F)F)n1)c1ccc([N+](=O)[O-])cc1Cl 748762557 KCSRRWDGCISKJX-UHFFFAOYSA-N 449.801 4.214 5 20 IIBD Cn1ccnc1[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1ccccc1 750829285 MOUGYPLOSNPZMX-MRXNPFEDSA-N 449.692 4.264 5 20 IIBD CCO[C@@H](C)c1nc(COC(=O)c2cc([N+](=O)[O-])c(Br)cc2F)cs1 751692247 NZVVMLXXKDGSQG-QMMMGPOBSA-N 433.255 4.407 5 20 IIBD COc1ccccc1N1CC[C@H](CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 755026147 SKMIBMMIQCDQFS-CYBMUJFWSA-N 449.305 4.014 5 20 IIBD CCOc1cc(COC(=O)c2cc([N+](=O)[O-])c(Br)cc2F)ccc1[N+](=O)[O-] 755546844 XPLRCZXQUYKLAE-UHFFFAOYSA-N 443.181 4.160 5 20 IIBD CCc1ccc(C(=O)Nc2cnc(Br)c(Br)c2)cc1[N+](=O)[O-] 757833101 GMOFDQQKFDIVSB-UHFFFAOYSA-N 429.068 4.330 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] 758835066 UGDTTXCDGBTOGY-JZXOWHBKSA-N 434.537 4.299 5 20 IIBD CC(C)C(=O)Nc1ccc(Cl)c(C(=O)O[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 759949664 OKRPTIWSLMKQBJ-IAGOWNOFSA-N 434.880 4.380 5 20 IIBD CC(C)(C)OC(=O)N(CC(=O)O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 761116020 YXZKKXOZTRXIHS-QZTJIDSGSA-N 444.488 4.260 5 20 IIBD COc1cc(C(=O)OCCCn2ccnc2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 763287357 MAMIDTYTJUKJEH-UHFFFAOYSA-N 431.832 4.493 5 20 IIBD C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 766719967 MALNODWPOLEBEM-KPZWWZAWSA-N 443.397 4.183 5 20 IIBD O=C(N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 767991666 RSVLGCCNAHHNFA-IBGZPJMESA-N 426.816 4.265 5 20 IIBD O=C(COC(=O)c1cc(Br)cc([N+](=O)[O-])c1)Nc1cccc2ccccc12 770158243 YOSFKLJRIYROJO-UHFFFAOYSA-N 429.226 4.306 5 20 IIBD O=C(c1ccc(I)c([N+](=O)[O-])c1)N1CCCc2ccc(F)c(F)c21 770387386 ZPFPVQJHUIIXFM-UHFFFAOYSA-N 444.175 4.071 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1c(C)nn(Cc3ccc(F)cc3)c1Cl)CC2 774222009 GMHZGERPIGLMQL-UHFFFAOYSA-N 428.851 4.452 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)OCc1ccc(C(F)(F)C(F)(F)F)cc1 777800631 MPVMPIKHXZOHNN-UHFFFAOYSA-N 446.328 4.112 5 20 IIBD O=C(CN1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] 777808727 QDMJIIWROBWNHH-HNNXBMFYSA-N 446.939 4.232 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])c2nsnc2c1)c1ccc(OCc2cccnc2)cc1 778235415 OTFHHTMMOMMFHM-ZDUSSCGKSA-N 435.465 4.065 5 20 IIBD O=C(c1cc([N+](=O)[O-])c2nsnc2c1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 778268183 CPOJBCVANQRGIO-UHFFFAOYSA-N 425.445 4.240 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)Nc1ccc(C(F)(F)F)cc1 778892532 MLWNUJLBORXTHZ-UHFFFAOYSA-N 434.273 4.011 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCCO1)c1cc([N+](=O)[O-])c2nsnc2c1 779336322 ZIMVYCADORNSFP-CYBMUJFWSA-N 448.888 4.453 5 20 IIBD C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1Br)C(=O)Nc1ccccc1Cl 781675216 CBJWXRPXUAQFHO-SECBINFHSA-N 427.638 4.195 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 783312109 APSYMQFVGOOJQG-UHFFFAOYSA-N 445.809 4.371 5 20 IIBD COc1cccc([C@H]2C[C@H](C)CN2c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])c1 784181259 MALFZGHDTXFJMK-YVEFUNNKSA-N 426.441 4.187 5 20 IIBD CC[C@H](OC1CCCC1)C(=O)O[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 785931251 DVFZKKAYFNOFOE-ACJLOTCBSA-N 447.513 4.326 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)OCc1nc(-c2cc(F)c(F)c(F)c2)no1 785955498 UWLJCEUUPMHPJB-UHFFFAOYSA-N 427.722 4.001 5 20 IIBD CC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(I)c1)c1c(C)noc1C 787809887 SQFCFFIXBOMRJE-GFCCVEGCSA-N 444.229 4.077 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)cc1[N+](=O)[O-] 789068822 RXXYNVZDSMSAAJ-HZPDHXFCSA-N 426.473 4.323 5 20 IIBD O=[N+]([O-])c1cc(Br)c(F)cc1OC[C@@H](O)c1ccccc1Br 790140473 UDNUCBZOQLVDAU-CYBMUJFWSA-N 435.043 4.371 5 20 IIBD COC(=O)c1csc(-c2cccc(CNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2)n1 792683967 MSJRBHMERKPABT-UHFFFAOYSA-N 431.857 4.088 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)NOCc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] 793010886 RWSYZXYPMCWCSB-UHFFFAOYSA-N 439.390 4.098 5 20 IIBD Cc1ccccc1-c1noc(C)c1C(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 796220462 VQJJNHIUCJARQS-UHFFFAOYSA-N 429.816 4.316 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cc3ccccc3c(=O)o2)cc1)c1cccc([N+](=O)[O-])c1 797702867 MHOMJLDCZWSDMU-UHFFFAOYSA-N 430.372 4.173 5 20 IIBD Cc1c(Br)cc(C(=O)O[C@@H](c2ccccc2)c2cnn(C)c2)cc1[N+](=O)[O-] 799640595 WEYBHJYPSATCSP-SFHVURJKSA-N 430.258 4.346 5 20 IIBD O=C(NCc1cnc(-c2ccc(Cl)cc2)s1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 803673224 MAEQQVRAOFLQGE-GOSISDBHSA-N 442.884 4.181 5 20 IIBD COc1cc(C(=O)Nc2ccc(F)c([C@@H](C)O)c2)c([N+](=O)[O-])cc1OCc1cscn1 804804574 ZEVSPMFAASQJKS-LLVKDONJSA-N 447.444 4.084 5 20 IIBD CCc1nn(C)c(Nc2ccc(N3CCC(OC)CC3)c(C(F)(F)F)c2)c1[N+](=O)[O-] 807959011 MDHDQPIWNRUVBF-UHFFFAOYSA-N 427.427 4.268 5 20 IIBD COc1c(-c2nc(CC(=O)Nc3ccc(SC(F)F)cc3)no2)cccc1[N+](=O)[O-] 809456601 VFEYPNXGZRTKMH-UHFFFAOYSA-N 436.396 4.149 5 20 IIBD COCCn1c(-c2c[nH]c3ccccc23)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 812064005 HVAVUKXWDBKGSE-UHFFFAOYSA-N 432.484 4.150 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](CNC(=O)C(F)(F)F)C1 812277136 SAMGUPCYESSIBQ-CYBMUJFWSA-N 447.479 4.018 5 20 IIBD CN1C(=O)C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@H]1c1ccc(Cl)c(F)c1 813247246 PSLKVRBEUPBTHP-DYZYQPBXSA-N 426.231 4.199 5 20 IIBD O=C(N[C@H](c1ccc(F)cc1)c1cccs1)c1cc([N+](=O)[O-])ncc1Br 823742544 RFOKKYJTKSQGME-MRXNPFEDSA-N 436.262 4.472 5 20 IIBD CC[C@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccc(Cl)cc1 847136914 ASVBPQXTUUSTIE-IBGZPJMESA-N 445.903 4.273 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cccnc2N2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 915811609 ZPSROIWMLNMDRE-UHFFFAOYSA-N 446.463 4.452 5 20 IIBD CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccc(Cl)cc1 918557213 GRPGWBLIDVKNND-VLIAUNLRSA-N 433.867 4.254 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 919868095 QSIXSYGWJGQEGC-GOSISDBHSA-N 429.904 4.034 5 20 IIBD CCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 920225348 XZDTZQQCWXJFBC-UHFFFAOYSA-N 439.390 4.101 5 20 IIBD Cc1c(Cl)cccc1NC(=O)COC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 920776908 FKSNJGQLADNMHL-NSHDSACASA-N 427.240 4.159 5 20 IIBD Cc1ccc(C2=NN(C(=O)COC(=O)c3cc(C)cc([N+](=O)[O-])c3)[C@H](c3ccco3)C2)cc1 920901415 SATGRFGCFXWZQN-NRFANRHFSA-N 447.447 4.339 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2Cc2nnc(Cc3cccnc3)o2)cc1 1325809870 HBKDVSFZCRDZFW-UHFFFAOYSA-N 438.447 4.407 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc(Cl)cc3C(N)=O)cc2[N+](=O)[O-])C1 1335915315 WKSQMJMSRWOIOP-STQMWFEESA-N 430.892 4.082 5 20 IIBD COc1cc(-c2nnc([C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])o2)cc(OC)c1OC 1349920865 BNMWWIHOOQVONQ-JTQLQIEISA-N 435.820 4.464 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC1(c2ccc(NC(=O)c3ccco3)cc2)CCC1 1787271984 CSDHHGNREYHTBI-UHFFFAOYSA-N 448.479 4.315 5 20 IIBD C[C@@H]1CC[C@H](C(=O)NC2(c3ccc(NC(=O)c4cccc(F)c4[N+](=O)[O-])cc3)CCC2)O1 1790701030 JTUCHEXALPGUFJ-AUUYWEPGSA-N 441.459 4.049 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)Nc1ccc(C2(NC(=O)C(C)(F)F)CCC2)cc1 1790771242 XENCYBDECOFOCR-UHFFFAOYSA-N 435.402 4.445 5 20 IIBD C[C@@]1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])C3)CC=CCC1 1803268892 UBTYTORBWVKMFQ-ISJRUSPKSA-N 445.947 4.175 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccc2occc2c1 1804344404 FVNGKFVAJACKNN-IYUUKPBGSA-N 445.475 4.306 5 20 IIBD CC(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[nH]n1 1816735211 XVXRHUAAVXTFME-MRXNPFEDSA-N 441.513 4.495 5 20 IIBD O=C(CC1CCCC1)N1CCC([C@@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1823679279 DPRPFFWVERNDJK-QHCPKHFHSA-N 441.572 4.337 5 20 IIBD O=C(c1ccco1)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1824839158 ZGUWMVZESNTSNW-NRFANRHFSA-N 439.512 4.054 5 20 IIBD O=C(CC1CCCC1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1 1830490884 OUYBUYDFXYQMAR-FQEVSTJZSA-N 443.544 4.114 5 20 IIBD CCCCC[C@H](C)C(=O)N1CC2(CCCN2C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])C1 1841331387 ZVEGRIOMYAEEIQ-INIZCTEOSA-N 435.952 4.211 5 20 IIBD CCN(CC)C(=O)COC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 3455370 SKWSNSHUOVSWIF-UHFFFAOYSA-N 436.848 4.074 5 20 IIBD CCCn1c(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccncc1 9667183 QJSMVVNYSOBNBJ-GFCCVEGCSA-N 446.920 4.431 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2ccccc2OC)c([N+](=O)[O-])c1 15209469 BPVUNDXQPNUCDJ-UHFFFAOYSA-N 441.509 4.431 5 20 IIBD COc1cc(CCNC(=O)CCC(=O)c2ccc3ccccc3c2)c([N+](=O)[O-])cc1OC 16143985 KKQMTZJBZSHMKC-UHFFFAOYSA-N 436.464 4.087 5 20 IIBD C[C@@H]1CCCC[C@H]1NC(=O)COc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1 21283812 FNKKHFXDURJXHX-QVKFZJNVSA-N 436.464 4.442 5 20 IIBD Cc1cccc(OCCC(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 21349396 UJKGIHUDUPUZMA-ZDUSSCGKSA-N 440.374 4.261 5 20 IIBD CSCC[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)OCc1ccc(C)cc1 22677501 DJWLNZUFMYSRLP-QGZVFWFLSA-N 436.917 4.152 5 20 IIBD O=C(NCc1ccccc1Cn1cccn1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 24623308 HTSRIMRAERFIFQ-UHFFFAOYSA-N 441.491 4.382 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1ccc(F)c(C(F)(F)F)c1 97548732 OLTIJIRZMWKPOS-UHFFFAOYSA-N 443.172 4.316 5 20 IIBD COC(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)cc([N+](=O)[O-])c1 108362241 FIAQMXXJCRKDOF-QGZVFWFLSA-N 433.258 4.121 5 20 IIBD COc1ccc(CCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c(OC)c1OC 237263234 CABYAIPYJXXIOV-UHFFFAOYSA-N 429.498 4.076 5 20 IIBD C[C@@H](c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 301466795 QFNZROUFTIRRKP-KRWDZBQOSA-N 442.947 4.367 5 20 IIBD CS(=O)(=O)c1cc(C(=O)N(Cc2ccccc2F)c2ccc(F)cc2)cc([N+](=O)[O-])c1 303241392 BRXJQOWXHTYWTQ-UHFFFAOYSA-N 446.431 4.124 5 20 IIBD Cc1c(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)oc2ccc(Br)cc12 303659051 ARNKDPYTNVPWLE-CYBMUJFWSA-N 445.273 4.134 5 20 IIBD CCOc1cc(NC(=O)N2C[C@H](c3ccccc3)O[C@H](C)C2)c([N+](=O)[O-])cc1OCC 409657973 DODNANYMZQAXAK-QVKFZJNVSA-N 429.473 4.386 5 20 IIBD C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)NCc1ccccc1[N+](=O)[O-])OCCO3 410156975 VVOUIEZJSFQRLF-INIZCTEOSA-N 437.496 4.464 5 20 IIBD C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cnn(Cc2ccccc2)c1 425939072 YSEHWJDCBJTMNM-CQSZACIVSA-N 447.417 4.419 5 20 IIBD COc1ccccc1[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccco1 426960705 SZLMDBLCURACQY-SFHVURJKSA-N 431.242 4.478 5 20 IIBD Cc1c(NC(=O)C(=O)N(C)[C@@H](C)C2CCCCC2)cc(Br)cc1[N+](=O)[O-] 430360062 RASOZSAECWBSMJ-LBPRGKRZSA-N 426.311 4.031 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2ccnc3c([N+](=O)[O-])cccc23)CC1 432332221 VMOGOQFUKVPEDH-UHFFFAOYSA-N 430.386 4.124 5 20 IIBD Cn1cc(C(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 436164072 JJCUPDHLCIDNPV-UHFFFAOYSA-N 442.479 4.447 5 20 IIBD Cc1nn(-c2ccccc2)c2nc(C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)ccc12 437497564 ZZZURVRLMQYHEI-UHFFFAOYSA-N 427.464 4.442 5 20 IIBD COc1ccc(NC(=O)C(=O)Nc2cccc(CO[C@@H]3CCC[C@@H](C)C3)c2)cc1[N+](=O)[O-] 438729141 ZUAQRBHQHLFVBE-DNVCBOLYSA-N 441.484 4.276 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCc2ccc(-c3ccccc3)cc21 439819319 IKTOGWUOESQSSY-OAQYLSRUSA-N 445.475 4.403 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2cccc(N3CCC3=O)c2)cc1 441609873 JUXCTWWMPLURPU-UHFFFAOYSA-N 447.447 4.062 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Cc1sccc1Br 443192414 JKSBVRXGPBKIHD-UHFFFAOYSA-N 441.122 4.155 5 20 IIBD O=[N+]([O-])c1cccc(-c2ncn(Cc3cccc(Br)c3OC(F)F)n2)c1 443522037 LFWWCAJPTAKTNT-UHFFFAOYSA-N 425.189 4.266 5 20 IIBD CN(C)CCCC1CCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CC1 444282779 CPZUVLKBFRFXLJ-UHFFFAOYSA-N 427.495 4.154 5 20 IIBD O=C(NC1CCCCC1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1O 444360350 CXGZWKXKWPOTHT-UHFFFAOYSA-N 434.452 4.163 5 20 IIBD CC(C)CN1N=C(c2nc(-c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3)no2)CCC1=O 445229211 QSVVMKBXICGFSX-UHFFFAOYSA-N 435.440 4.420 5 20 IIBD COc1cc(-c2noc(/C=C\c3ccc(F)cc3[N+](=O)[O-])n2)cc(Br)c1O 445397994 OMXZSQBGKIJGTM-HYXAFXHYSA-N 436.193 4.431 5 20 IIBD CCO[C@H](c1ccccc1)c1noc(-c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)n1 445776864 NPXNKYHSUYGSPT-QGZVFWFLSA-N 438.469 4.050 5 20 IIBD O=C(Nc1ncc(-c2ccc(Cl)cc2)s1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 461099113 CVFGTLXMVYKQRO-UHFFFAOYSA-N 426.845 4.205 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@@H]3CCO[C@H](c4ccccc4)C3)cc2)c(C)c1[N+](=O)[O-] 462910669 DMFMVSSGTRAYEU-YADHBBJMSA-N 434.496 4.107 5 20 IIBD CCN(C(=O)Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2NC)cc1)c1ccccc1 462933237 QFYNYELOIIMIMM-UHFFFAOYSA-N 432.480 4.484 5 20 IIBD NC(=O)c1cccc(Oc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])cn2)c1 463591214 CDGWEVMJIJLSSP-UHFFFAOYSA-N 446.341 4.152 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)NC1(c2cccc(Br)c2)CCCCC1 464403994 OOCKNLAWPPBSKH-UHFFFAOYSA-N 435.322 4.228 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O 467736794 FTNNZUNXSNNJAV-KPOBHBOGSA-N 426.463 4.115 5 20 IIBD COc1ccccc1Oc1ccc(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)cc1 468726002 QTWWXIFYNBYMKR-UHFFFAOYSA-N 428.466 4.411 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@H](OCc2ccccc2F)C1 470687268 CKUIUNULYFQRTK-HNNXBMFYSA-N 437.265 4.318 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N[C@H]1CCCC[C@@H]1n1cccn1 470874536 RWDQTZYAMDFHIV-ICSRJNTNSA-N 441.513 4.188 5 20 IIBD Cc1cc(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C(F)(F)F)o1 473487824 LLAJTMQOXSYOPJ-UHFFFAOYSA-N 425.285 4.376 5 20 IIBD Cc1cc(NCc2cccc(NC(=O)Cn3cccn3)c2)c(Br)cc1[N+](=O)[O-] 473528963 IKYWKIZFQQHVRD-UHFFFAOYSA-N 444.289 4.113 5 20 IIBD CC(C)Sc1ccccc1NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 473839742 BEDURGMNKPYTLT-UHFFFAOYSA-N 428.514 4.085 5 20 IIBD COC(=O)COc1ccc(CN[C@@H](C)c2nc(-c3ccccc3)cs2)cc1[N+](=O)[O-] 474367570 DXXXHTROOIVDCW-AWEZNQCLSA-N 427.482 4.121 5 20 IIBD O=C(NCc1ccccc1CN1CCCC1=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 475208568 YMRFUMXLBLXCCV-UHFFFAOYSA-N 436.390 4.058 5 20 IIBD CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)c1ccc(F)cc1[N+](=O)[O-] 475693813 LCDDOERTBRVMOX-INIZCTEOSA-N 439.281 4.264 5 20 IIBD Cc1c(C(=O)N[C@H](CO)c2ccc(Br)cc2C(F)(F)F)cccc1[N+](=O)[O-] 478439087 OXZJRUDMLHUBKV-CQSZACIVSA-N 447.207 4.148 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCc2cc(Br)ccc2C1 480817542 LRECJDINUFFPDA-UHFFFAOYSA-N 444.329 4.159 5 20 IIBD O=C(NC1CCN(CC2CC2)CC1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 483147506 CVEJWVBDOPPRNZ-UHFFFAOYSA-N 442.947 4.465 5 20 IIBD Cc1ccccc1[C@@H](CC(C)C)NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 485542145 JLBZGKNPXPKKSD-LJQANCHMSA-N 425.485 4.495 5 20 IIBD C[C@H](NC(=O)c1ccccc1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1 486530099 JBAYZCRIBLFVCT-KRWDZBQOSA-N 444.491 4.087 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCc1nccn1CCCc1ccccc1 487857722 PLCUWPJUVSWYDN-UHFFFAOYSA-N 441.919 4.119 5 20 IIBD C[C@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 488345311 KAPVHDVQPZYRNF-LPHOPBHVSA-N 430.936 4.001 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1 488585727 WANWHDBKTFWMSW-FQEVSTJZSA-N 443.301 4.158 5 20 IIBD Cn1cc(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 489371769 RLJNWQDSMAUFPY-UHFFFAOYSA-N 449.511 4.112 5 20 IIBD Cc1ccn2c(CN3CCN(C(=O)c4ccc(C(C)(C)C)c([N+](=O)[O-])c4)CC3)c(C)nc2c1 490827645 OEMHYSXYXRLSTG-UHFFFAOYSA-N 449.555 4.115 5 20 IIBD O=C(c1ccc(Cl)s1)N1CCC(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 492873533 MUSWPCJOPPHNHE-UHFFFAOYSA-N 447.944 4.353 5 20 IIBD O=C(c1csc(-c2ccc3c(c2)OCCO3)n1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 493177773 CYCZAZWNOWYGAV-UHFFFAOYSA-N 437.477 4.294 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3c(C)cc(OC)c(C)c3C)CC2)ccc1[N+](=O)[O-] 494733160 XIKQGMJKPFGORT-UHFFFAOYSA-N 442.516 4.281 5 20 IIBD CCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)[C@@H](c1cccnc1)c1ccc(F)cc1F 496565543 ANLJOONGAWBGLH-NRFANRHFSA-N 437.406 4.396 5 20 IIBD O=C(c1ccc(CN2CCSCC2)cc1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 498147159 OFRAWOTUAFOSPT-NRFANRHFSA-N 429.567 4.031 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCNC(C)(C)COc1ccc(C(F)(F)F)cn1 502268337 GHHNOGDCFDFHRR-UHFFFAOYSA-N 440.422 4.093 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC(c2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 505003498 UXOVZBHJGGVCSC-UHFFFAOYSA-N 442.859 4.327 5 20 IIBD CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2cc(CC)nc(-c3ccc([N+](=O)[O-])cc3)n2)C1 506980309 WQQJSPSDNUAIJT-SJLPKXTDSA-N 425.533 4.135 5 20 IIBD O=C(Cc1ccc(OCc2ccccn2)cc1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 507530524 LSUFIGFDLWPKKT-QHCPKHFHSA-N 435.505 4.386 5 20 IIBD O=C(N[C@@H](c1ccccc1)c1ccncc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 510031028 ZPHJTUGYWSUADK-IBGZPJMESA-N 431.370 4.450 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N(Cc2ccccn2)c2ccc(F)cc2)cc1OC 511075706 NBIRZTIPFDLPCA-UHFFFAOYSA-N 425.416 4.383 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]2c2ccc(Cl)cc2)c(Br)c1 511257605 BOMONJIZCCMSLD-CQSZACIVSA-N 431.695 4.146 5 20 IIBD CC[C@@H]1CN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C[C@H](C)[S@@]1=O 512468123 IDJWQVHLNPGTDN-CVNHILBLSA-N 449.960 4.159 5 20 IIBD Cn1ccnc1[C@@H](NCc1cc(Cl)c2c(c1)OCCCO2)c1ccc([N+](=O)[O-])cc1 513658985 AFBYJTMBKLDVRP-IBGZPJMESA-N 428.876 4.022 5 20 IIBD O=C(NC[C@@H]1CCCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1)c1ccco1 514194395 YHOUSSDPIUFXAY-KRWDZBQOSA-N 448.479 4.214 5 20 IIBD CN(Cc1ccccc1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 514926990 RBCKFGSZTKOKGN-UHFFFAOYSA-N 438.528 4.118 5 20 IIBD COc1cc(CSCc2cccc(C(=O)N(C)C)c2)c([N+](=O)[O-])cc1OC(F)F 517297314 AJLFFDCSMQZMCR-UHFFFAOYSA-N 426.441 4.340 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NC[C@@H](C2CCCCC2)N(C)C)cc1[N+](=O)[O-])c1ccccn1 518784638 KVCNGFPARRRGGC-HXOBKFHXSA-N 439.560 4.403 5 20 IIBD COc1cc(OCC(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)ccc1[N+](=O)[O-] 519018460 OJRLRBLHWXSICQ-UHFFFAOYSA-N 443.359 4.129 5 20 IIBD CC(C)Sc1ccc(Cl)cc1NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 519136033 MVRXFJXYYBQQMZ-UHFFFAOYSA-N 435.889 4.113 5 20 IIBD O=[N+]([O-])c1ccc(NCc2cccc(Cl)c2Cl)c(S(=O)(=O)N2CCCC2)c1 521147944 ILDZHIXAZQYHNP-UHFFFAOYSA-N 430.313 4.298 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)cc1[N+](=O)[O-])c1ccccn1 521199519 UTFKOHLUWKQDRB-HNNXBMFYSA-N 445.479 4.307 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 521303314 DRNWLAMIXKQZGJ-UHFFFAOYSA-N 436.415 4.208 5 20 IIBD C[C@@H](CN1CCN(C)CC1)NCc1ccc(Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 521843034 WPTHIUGUYORDGB-IBGZPJMESA-N 440.588 4.410 5 20 IIBD O=C(Nc1ccccc1Br)C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 532696426 DKIPISWBPYDUGN-UHFFFAOYSA-N 448.317 4.087 5 20 IIBD COc1ccc(CC(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1[N+](=O)[O-] 532786447 WQCDODWOVQQPMB-UHFFFAOYSA-N 443.503 4.060 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 534658430 LCKHFHQXOCGDEU-RUZDIDTESA-N 432.524 4.133 5 20 IIBD COc1cc(CN(C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)ccc1OC(F)F 535067073 ATDAVCHWXNWAOQ-UHFFFAOYSA-N 432.427 4.237 5 20 IIBD CC(C)(C)c1ccc(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)cc1 535953092 HOZWXEXIRKSFRT-UHFFFAOYSA-N 432.542 4.003 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] 537143511 FWQAMEZRENKZQD-UZLBHIALSA-N 436.917 4.136 5 20 IIBD O=C(Nc1cc(F)c(Br)c(F)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 539354643 ISSHDACPOBVPPV-UHFFFAOYSA-N 440.244 4.491 5 20 IIBD Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] 539642714 AVXARRFLBUZARJ-IRXDYDNUSA-N 435.402 4.313 5 20 IIBD COc1cc(C(=O)NCCN2CC=CCC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 539921348 SUJFQPSXLKVUOV-UHFFFAOYSA-N 431.876 4.041 5 20 IIBD O=C(CN[C@H](Cc1ccc(Cl)cc1)c1ccccn1)N1CCc2ccc([N+](=O)[O-])cc21 541194335 FPYMKSTVZCDLGY-OAQYLSRUSA-N 436.899 4.106 5 20 IIBD C[C@@]1(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCO[C@H]1C1CC1 541406040 LUPZKZNMHCAYKT-LOSJGSFVSA-N 446.507 4.064 5 20 IIBD COCC[C@@H](N[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccco1 542529386 AUHUCVSHEXQMLN-XJKSGUPXSA-N 430.486 4.006 5 20 IIBD C[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H](C)c1ccccc1C(F)(F)F 542561014 PZDWLCAIIIZCJT-RYUDHWBXSA-N 439.390 4.063 5 20 IIBD COc1ccc(-c2nc(C)c([C@@H](C)NCC(=O)N(C)c3ccc([N+](=O)[O-])cc3)s2)cc1 542570507 YSMQYDKIWVTBFS-CQSZACIVSA-N 440.525 4.349 5 20 IIBD Cc1ncc2c(n1)CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)C2 542611254 BUDKRYORFNAFDB-KRWDZBQOSA-N 426.542 4.263 5 20 IIBD O=C(N[C@@H]1COc2ccccc2C1=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 542648019 HHDUOXWWTFEZOO-GOSISDBHSA-N 426.494 4.251 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccccc1C(=O)N1C[C@@H](C)C[C@@H](C)C1 543288476 MBXURMKRBUMNQL-IYBDPMFKSA-N 440.500 4.043 5 20 IIBD Cn1ccc([C@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)c2ccc(Cl)cc2)n1 545163678 RPTYXMKOAVIRPA-OAQYLSRUSA-N 439.903 4.419 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 545370417 WKHQGUVBJDSQIH-UHFFFAOYSA-N 437.930 4.034 5 20 IIBD CC(=O)N1CCc2c(NC(=O)c3ccc(N[C@@H](C)c4ccccn4)c([N+](=O)[O-])c3)cccc21 546012654 NCTKNXGSEWIPIF-HNNXBMFYSA-N 445.479 4.324 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc(Cc2csc(NC(=O)c3ccccc3F)n2)n1 546395005 USDMWPTVIRHRSV-UHFFFAOYSA-N 439.428 4.392 5 20 IIBD Cc1cc(-c2noc(Cn3c4ccccc4c(=O)c4ccccc43)n2)ccc1-n1cncn1 547174271 VSFQVVYVAKXTSV-UHFFFAOYSA-N 434.459 4.142 5 20 IIBD COc1cc(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)cc(OC)c1OC(F)F 547266910 FEQCTCDEMUYNLD-UHFFFAOYSA-N 446.366 4.336 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC(OCC4CC4)CC3)n2CCc2ccccc2)c1 549184222 QLELUVATWSAUGK-UHFFFAOYSA-N 447.539 4.491 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1noc(C2(Cc3cccc(F)c3)CCOCC2)n1 551367341 GQNISWULDPTBRM-UHFFFAOYSA-N 426.448 4.062 5 20 IIBD CCOc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1OC 551710208 YUQPUUKWEYMFEK-CQSZACIVSA-N 443.500 4.116 5 20 IIBD C[C@@H](NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccc(Br)cc1F 555161005 PMHYHFXPTVJETE-LLVKDONJSA-N 438.253 4.162 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 559519465 OKIAYPFTXZWFBN-QGZVFWFLSA-N 448.273 4.036 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCN(Cc2ccccc2)C1 559553255 RTCKJSLEOJRRIF-QGZVFWFLSA-N 446.345 4.260 5 20 IIBD CC(C)(C)[C@@H](NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(F)cc1F 566761535 GOPCXTTXCGSCAN-FQEVSTJZSA-N 445.466 4.268 5 20 IIBD COc1cc(OC)cc(C2(F)CCN(C(=O)c3cc(SC)ccc3[N+](=O)[O-])CC2)c1 566808941 IJMCWFQUNWOOER-UHFFFAOYSA-N 434.489 4.435 5 20 IIBD Cc1cc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(F)cc1Br 571681837 NTTBCIJIQNNSLB-UHFFFAOYSA-N 433.237 4.458 5 20 IIBD C[C@H](c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(N(C)C(=O)c3ccncc3)cc2)no1 579525650 HSMFQELVPVBXLF-OAHLLOKOSA-N 429.436 4.468 5 20 IIBD C[C@@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(F)c2ccccc12 588798872 SLKSZMKDSZSHDS-CQSZACIVSA-N 437.427 4.453 5 20 IIBD O=C(c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1C[C@@H]2[C@@H](CO)[C@@H]2C1 590420806 FTSDMXZNRJNHMO-FICVDOATSA-N 438.427 4.075 5 20 IIBD CC(C)OC(=O)c1c(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)sc2c1CCCC2 603624748 OJHQLWORXAEIBO-UHFFFAOYSA-N 432.454 4.081 5 20 IIBD Cc1cc(CN2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)CC2)no1 604484827 JFIHSBRQVMODPP-UHFFFAOYSA-N 438.509 4.000 5 20 IIBD Cc1cc(=NCc2nn(-c3ccccc3)c3c2CCC3)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 604508394 SPIGWALSKWROCS-UHFFFAOYSA-N 426.480 4.069 5 20 IIBD O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N[C@H](c1ccc(Cl)cc1)C1CCCC1 609182292 ICULOXPZPLMNLT-NRFANRHFSA-N 444.919 4.095 5 20 IIBD O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609550966 PSVNORRJJSWHFA-UHFFFAOYSA-N 431.370 4.329 5 20 IIBD C[C@H](NC(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1)c1cccc([N+](=O)[O-])c1 609634676 ONNGJNJPPGTODX-LBPRGKRZSA-N 435.402 4.378 5 20 IIBD COc1cccc(NC2CCN(C(=O)c3cc(SC)c(OC)cc3[N+](=O)[O-])CC2)c1 609921695 MFMCHXMYIVLETE-UHFFFAOYSA-N 431.514 4.051 5 20 IIBD Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C1 609976590 YKGXOJMKNFPNCE-WBVHZDCISA-N 437.525 4.201 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC(c2nc3ccccc3[nH]2)CC1 610038321 NSRNWIYGFGYPST-UHFFFAOYSA-N 429.274 4.253 5 20 IIBD CC(C)(C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1ccc([N+](=O)[O-])cc1 610064818 BXKUPOACOHZTKM-SFHVURJKSA-N 433.911 4.446 5 20 IIBD CS(=O)(=O)c1cc(C(=O)Nc2cccc(CSC3CCCC3)c2)cc([N+](=O)[O-])c1 610126657 LUPXXOQDJPHCKZ-UHFFFAOYSA-N 434.539 4.426 5 20 IIBD C[C@H](O)CN(Cc1ccccc1)C(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 610163790 MCJRSQMMCLAPIZ-FHWLQOOXSA-N 425.529 4.100 5 20 IIBD COc1cc(C(=O)Nc2cc(Br)c(F)cc2Cl)c([N+](=O)[O-])cc1OC 610578631 NYGCKYCBPFAUPT-UHFFFAOYSA-N 433.617 4.419 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC(CN2CCCCCC2)CC1 610667292 IGJKGBGKVCOGSV-UHFFFAOYSA-N 438.366 4.014 5 20 IIBD O=C(NC[C@@H]1Cc2ccccc21)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 610937141 XFMMRHDEZISXEZ-AWEZNQCLSA-N 439.518 4.202 5 20 IIBD CNC(=O)c1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cc1 611198604 AMFZWDHMZRBQIN-UHFFFAOYSA-N 427.526 4.261 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 611529714 CAKLCXZVRSUCSQ-OAQYLSRUSA-N 445.479 4.092 5 20 IIBD COc1ccc(NC(=O)N2CCc3[nH]c4c(Br)cccc4c3C2)cc1[N+](=O)[O-] 611823418 HGGKOKIBZUTULW-UHFFFAOYSA-N 445.273 4.437 5 20 IIBD C[C@@H](c1nnc(SCC(=O)c2cccc([N+](=O)[O-])c2)n1-c1ccc(Cl)cc1)N(C)C 612377662 QZMXHQFMMCJXHL-ZDUSSCGKSA-N 445.932 4.427 5 20 IIBD O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1csc(COc2ccc(F)cc2)n1 726194716 XNHMOAXCIFCLGG-UHFFFAOYSA-N 439.428 4.412 5 20 IIBD Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C1 726547249 ZDNBAMZZAICMGH-CQSZACIVSA-N 432.864 4.030 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=S)Nc1ccc(Cl)nc1 727069785 INUIETSPIPUWEF-UHFFFAOYSA-N 432.893 4.301 5 20 IIBD COc1ccc(CC(=O)Oc2c(Br)cccc2Br)cc1[N+](=O)[O-] 727667121 FUYUQCWKGRAXKZ-UHFFFAOYSA-N 445.063 4.277 5 20 IIBD O=C(COC(=O)C[C@@H](c1ccccc1)C(F)(F)F)Nc1cc([N+](=O)[O-])ccc1Cl 728652327 GZPRFWRTGNSMCO-ZDUSSCGKSA-N 430.766 4.466 5 20 IIBD C[C@@H](OC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccccc1[N+](=O)[O-] 729782318 ZCXMTOJSVHHVER-GFCCVEGCSA-N 429.816 4.016 5 20 IIBD CCOc1ccc(NC(=O)CN2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 731483324 DWUGSAQORJJIHB-QFIPXVFZSA-N 447.919 4.031 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1nc(-c2ccc(-n3cnc4ccccc43)nc2)no1 731804294 WIRFQJNYBALDSX-UHFFFAOYSA-N 427.424 4.033 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCc1noc(Cc2ccc(Br)cc2)n1 732313026 FRFTWKYJJHOTHS-BJMVGYQFSA-N 444.241 4.088 5 20 IIBD CC(C)(C(=O)N(c1ccc(O)cc1)S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 740539163 NMZMUELOJZCZEK-UHFFFAOYSA-N 440.477 4.000 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NC[C@@](C)(O)c3ccsc3)cc2[N+](=O)[O-])n1 740937927 GKAOTEQZJFTSJW-GOSISDBHSA-N 435.552 4.210 5 20 IIBD Cn1cc([N+](=O)[O-])cc1C(=O)N(c1ccccc1F)C1CCN(C(=O)OC(C)(C)C)CC1 741957064 IPWSZMSXEKPKGT-UHFFFAOYSA-N 446.479 4.119 5 20 IIBD CC(C)(C)c1cc(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)no1 742051292 QHPCMVFVBLPQEY-INIZCTEOSA-N 429.473 4.122 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc(OS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 742317445 GMYYTWWSVCTORW-UHFFFAOYSA-N 428.850 4.363 5 20 IIBD Cc1cccc(-c2nn(CN3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)c(=S)n2C)c1 743391436 UTLHKZFWGTUORJ-UHFFFAOYSA-N 439.541 4.336 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2)c([N+](=O)[O-])cc1OC(F)F 744534916 VCILXRLKHXVJRI-SECBINFHSA-N 444.774 4.042 5 20 IIBD COc1ccc(OCCOC(=O)c2sc(Cc3ccc(F)cc3)nc2C)c([N+](=O)[O-])c1 744717653 ZICOZCLXAOZTLT-UHFFFAOYSA-N 446.456 4.334 5 20 IIBD C[C@@H](OC(=O)CCOc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)c(Cl)c1 744732248 STYBBKKFXKTJQB-LLVKDONJSA-N 427.240 4.241 5 20 IIBD Cc1cc2oc(=O)cc(COC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)c2cc1C(C)C 747680283 BEDWHNCRDRZJKF-UHFFFAOYSA-N 448.435 4.071 5 20 IIBD Cc1c(C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748628746 AAFUUSGJUHWKDK-UHFFFAOYSA-N 447.875 4.251 5 20 IIBD Cc1c(C(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748638393 BHYYCCRVCUSCQJ-QGZVFWFLSA-N 431.420 4.080 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cc(-c2cccc(Cl)c2)no1 748926924 UBNKEMYXBZIDEI-UHFFFAOYSA-N 426.772 4.310 5 20 IIBD Cc1nc(-c2ccccc2)sc1C(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 750434057 PTLBTTBIGUMJGA-UHFFFAOYSA-N 438.509 4.495 5 20 IIBD Cc1cccnc1C(=O)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 750518356 VBZFRXNAIYBQFN-IBGZPJMESA-N 425.828 4.488 5 20 IIBD C[C@@H](OC(=O)CCc1ccc(F)cc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 751851186 COEGIOMTLPNDCS-SNVBAGLBSA-N 446.328 4.395 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] 752022543 CAOFEOUACKNAFK-HOTGVXAUSA-N 434.537 4.299 5 20 IIBD C[C@@H](C(=O)Nc1ccc(OCCNC(=O)OC(C)(C)C)cc1)c1ccc([N+](=O)[O-])cc1F 754479195 ZSIGBFDRFMJKQX-CQSZACIVSA-N 447.463 4.380 5 20 IIBD C[C@H]1C[C@H](N(C)C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCN1Cc1ccccc1 757264566 ZWGBYAKIWMYUAZ-QFBILLFUSA-N 430.936 4.443 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1cncc(Cl)n1 758637370 DJGIDSKDBGHQEA-KRWDZBQOSA-N 447.234 4.228 5 20 IIBD C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 760200667 QHHDGHAZCQHBFN-OAHLLOKOSA-N 445.903 4.312 5 20 IIBD CC[C@@H](C)n1ncc(C(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)c1C1CC1 760979861 HHLXRUBOXFZOHM-OAHLLOKOSA-N 427.505 4.108 5 20 IIBD Cn1c(SCc2cccc(NC(=O)OC(C)(C)C)c2)nc2cc([N+](=O)[O-])ccc2c1=O 762478206 VJOBSRZJJGMIQU-UHFFFAOYSA-N 442.497 4.481 5 20 IIBD CC[C@@H]1CCCC[C@@H]1OCC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 766811154 ONCSBVLMAYEKLN-WBMJQRKESA-N 432.395 4.081 5 20 IIBD Cc1cc(C)n2nc(SCc3ccccc3C(=O)OCc3ccccc3[N+](=O)[O-])nc2n1 768427831 WMAICACTXAZXBI-UHFFFAOYSA-N 449.492 4.299 5 20 IIBD COc1ccc(-c2ncc(C(=O)OCc3ccc(OC)c([N+](=O)[O-])c3)s2)cc1OC 769413662 AICXEKUYLGCFAU-UHFFFAOYSA-N 430.438 4.101 5 20 IIBD COc1cccc(C(=O)OCc2ncc(-c3ccc(Br)cc3)o2)c1[N+](=O)[O-] 769600330 LOVCWMXTROXZLJ-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD Cc1cc(N2CCCC2)ccc1NC(=O)COC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C 769886870 GGLBUYPNTADORE-UHFFFAOYSA-N 425.485 4.224 5 20 IIBD CC[C@@](C)(COc1ncccc1Cl)NC(=O)c1cc([N+](=O)[O-])ccc1Br 772241667 IUIACRUTISXGCU-KRWDZBQOSA-N 442.697 4.383 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2cnc(Cc3ccccc3F)s2)cccc1[N+](=O)[O-] 772824239 IQCODHGGDRMPDS-ZDUSSCGKSA-N 443.456 4.274 5 20 IIBD O=C(O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1cccc(OC[C@H]2CCCO2)c1 776132484 FEXLHAWNBCTXQF-OFNKIYASSA-N 434.448 4.494 5 20 IIBD O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 776588391 UIDWSZMLPHXVRH-LPHOPBHVSA-N 428.876 4.211 5 20 IIBD O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1cc([N+](=O)[O-])ccc1Cl 778006689 WWLVEDHJIZDFTJ-OAHLLOKOSA-N 428.659 4.090 5 20 IIBD COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)c1 778256407 IWPORYBDYXAZDI-UHFFFAOYSA-N 445.457 4.207 5 20 IIBD CC(C)(C)Sc1cc(C(=O)OCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccn1 779197933 AGCOHAPZEBQNDP-UHFFFAOYSA-N 437.905 4.121 5 20 IIBD COc1ccccc1OCCOC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781257877 WWKHHLFABQOPNQ-UHFFFAOYSA-N 425.387 4.204 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])O[C@H](c1ccncc1)c1ccc(F)cc1 781799363 CSNMQXMSVZUTSL-NRFANRHFSA-N 425.372 4.303 5 20 IIBD CCCOc1cccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2Br)c1 783226094 ZUZHSMNWQUDLJV-UHFFFAOYSA-N 436.262 4.032 5 20 IIBD CCC[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br 784705412 YGTPEZXZDUERMU-GXTWGEPZSA-N 426.311 4.079 5 20 IIBD CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)c1cc([N+](=O)[O-])ccc1N 786846244 YCJUTBKBESLYIR-UHFFFAOYSA-N 426.448 4.456 5 20 IIBD Cc1cccnc1C(F)(F)C(=O)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 787069028 GPCQFUZYTTUBQG-QGZVFWFLSA-N 447.438 4.018 5 20 IIBD C[C@@H](CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)Cc1cccs1 790753360 LXVKNCZAMVBPGF-GFCCVEGCSA-N 438.347 4.365 5 20 IIBD O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@@H]12)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 790776585 CUOMDKRATPCAEL-RZQQEMMASA-N 442.313 4.011 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc(C)c1F 790915983 YQCAKJQFDLWEBC-GTNSWQLSSA-N 425.254 4.311 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)c1cccc(Br)n1 790956601 VYVTYBADZDOGRK-UHFFFAOYSA-N 429.068 4.100 5 20 IIBD COc1ccc(OC(=O)[C@@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)cc1[N+](=O)[O-] 792123743 OOKYWKDQQCLBFC-LLVKDONJSA-N 449.510 4.158 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCc1cc(F)cc2c1OCOC2 792472386 IUJCRIQWPQPPEN-UHFFFAOYSA-N 426.194 4.028 5 20 IIBD O=[N+]([O-])c1cccc([C@H](O)CN(Cc2ccncc2)[C@@H]2CCCN(Cc3ccccc3)C2)c1 794801410 AKECRVGBLLDSBQ-CLJLJLNGSA-N 446.551 4.190 5 20 IIBD O=C(Nc1ccc(CNc2ccccc2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 806981763 DYGCOFXGDYSEDV-UHFFFAOYSA-N 432.480 4.296 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2-c2nc(COCC(F)(F)C(F)F)no2)CC1 809485987 MDDUSUBQQFSGNM-UHFFFAOYSA-N 432.374 4.298 5 20 IIBD COc1cc(Cc2noc(-c3c(-c4ccc(F)cc4)noc3C)n2)c([N+](=O)[O-])c(OC)c1 809489222 AIRYMNKYUGOISJ-UHFFFAOYSA-N 440.387 4.355 5 20 IIBD COc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 809814650 VVYYXJLCTMOWCK-AWEZNQCLSA-N 431.297 4.436 5 20 IIBD O=C(NC[C@@H]1CCCCN1C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccccc1 813036655 NXZLYQNUMODXDW-HNNXBMFYSA-N 436.295 4.326 5 20 IIBD CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 813159080 XEDHAQOQELBBHH-RZIFZGNASA-N 426.416 4.044 5 20 IIBD CCOc1cc(Br)c(F)cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 813306008 KZHMAEPJOOSWIL-UHFFFAOYSA-N 442.197 4.364 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C2)C1 814428592 LIPZUBOECAATLQ-HZPDHXFCSA-N 435.496 4.233 5 20 IIBD Cc1cc(Cl)c(C(=O)OCC(=O)Nc2ccccc2Br)cc1[N+](=O)[O-] 815406354 FDFGGWPQMIAJBZ-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cccc1[N+](=O)[O-] 815510420 WICIBCYAOVBVIU-SNVBAGLBSA-N 441.318 4.014 5 20 IIBD COc1cc(CNc2ccc(N(C(C)=O)C3CC3)cc2)c([N+](=O)[O-])cc1OCC(F)F 816661420 MXEYPDRCVQOUFA-UHFFFAOYSA-N 435.427 4.375 5 20 IIBD O=C(c1cc(F)ccc1[N+](=O)[O-])N(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 816820103 ZJDGIGNMEDWABN-QFIPXVFZSA-N 448.498 4.436 5 20 IIBD O=C(Nc1ccc(C(=O)NCc2ccccn2)c(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1 916086211 VFYGQESINGJPMN-UHFFFAOYSA-N 445.262 4.479 5 20 IIBD CN(C(=O)CCCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 916993199 GATSZMWYYTZHGR-UHFFFAOYSA-N 431.297 4.072 5 20 IIBD C[C@H](NC(=O)c1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1F)c1ccccc1 917402969 MUIUDDGMHQNRPZ-HNNXBMFYSA-N 437.427 4.242 5 20 IIBD C[C@@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cccc(NC(=O)c2ccccc2)c1 918193411 DZDOXGWFPJOEMN-CQSZACIVSA-N 443.456 4.026 5 20 IIBD C[C@@H](OC(=O)c1cccn1Cc1cccs1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 919620145 WLKRYTUUNAPJJG-GFCCVEGCSA-N 433.873 4.344 5 20 IIBD O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1 919686600 QQKJWNUXTVMYCU-HJLMUGLJSA-N 431.851 4.420 5 20 IIBD CCOc1ccccc1CN(CCCn1ccnc1)C(=O)c1cc([N+](=O)[O-])ccc1F 919687126 VQAHWFMSQJSYKT-UHFFFAOYSA-N 426.448 4.062 5 20 IIBD C[C@@H](Sc1ccccc1Cl)C(=O)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 920148016 OSEIYRQUPNLLKP-LLVKDONJSA-N 443.308 4.355 5 20 IIBD CN(c1ccccc1)c1ccc(CNC[C@H](O)COc2cccc(F)c2)cc1[N+](=O)[O-] 920183026 ZZJOBWMOSAXEHF-FQEVSTJZSA-N 425.460 4.031 5 20 IIBD C[C@@H](OC(=O)c1cc2c(nc1O)CCC(C)(C)C2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 1116342502 VNEVSIOUSKCWCI-LLVKDONJSA-N 447.875 4.048 5 20 IIBD COc1ccc(Br)cc1N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 1251127000 XIAWGOLCKRZGGB-VIFPVBQESA-N 428.670 4.458 5 20 IIBD COc1ccc(N(Cc2ccccc2)C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1OC 1317821351 QWIWERKXLGXGSC-UHFFFAOYSA-N 446.463 4.195 5 20 IIBD CCOc1cc(OCC(=O)N2CCc3cc(-c4csc(C)n4)ccc32)ccc1[N+](=O)[O-] 1320699599 IAGUCKXPHUULFN-UHFFFAOYSA-N 439.493 4.394 5 20 IIBD CNS(=O)(=O)c1cccc(NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c1C 1321849216 IHWNZRZSLKXNKQ-UHFFFAOYSA-N 435.889 4.337 5 20 IIBD CCCOc1cc(NC(=O)c2ccc3nnc(C(F)F)n3c2)c([N+](=O)[O-])cc1OCCC 1322715822 VNUUMXDMFBEIOE-UHFFFAOYSA-N 449.414 4.405 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCO[C@@H](c2ccc(Cl)s2)C1 1323721601 WSYPIWJGJJPHJX-CYBMUJFWSA-N 445.722 4.215 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3ccc4cc(OC)ccc4c3)CC2)ccc1[N+](=O)[O-] 1324998712 DZLMTQZJWCORNW-UHFFFAOYSA-N 435.480 4.118 5 20 IIBD COc1cc(C(=O)Nc2ccc(C)nc2Cl)c([N+](=O)[O-])cc1OCc1cscn1 1355130596 QLQHIVNRCXOOCC-UHFFFAOYSA-N 434.861 4.248 5 20 IIBD C/C=C(\C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])c(OC)c3)cc2)CCC1 1790479170 AIOJAGAMMYHYDI-AYSLTRBKSA-N 437.496 4.246 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)CCC1)c1cncs1 1790624002 VCYRWXPQALQIII-UHFFFAOYSA-N 440.456 4.252 5 20 IIBD Cc1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C3)cc1 1801768284 HZKNVROLNUEVHB-DVRPQVHLSA-N 447.535 4.187 5 20 IIBD Cc1ccc(CC(=O)N2CC3(CCCN3C(=O)Cc3ccc(C(C)C)cc3)C2)cc1[N+](=O)[O-] 1846101340 LMUFZMRUDSSCBP-UHFFFAOYSA-N 449.551 4.015 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1c(Cl)cc(Cl)cc1Cl 10051182 FQNGVYPTCYKHPX-UHFFFAOYSA-N 446.674 4.417 5 20 IIBD Cc1ccc(-c2nc(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCCO4)cs2)cc1 10965597 YXLXTJAKVNNLIT-UHFFFAOYSA-N 425.466 4.369 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc([N+](=O)[O-])c1 10972633 ZTEZWWFLQPWWIB-UHFFFAOYSA-N 431.857 4.334 5 20 IIBD Cc1csc(Sc2ccc(C(=O)OCC(=O)c3cc(C)[nH]c3C)cc2[N+](=O)[O-])n1 23454053 LPIUEOAMHFICSD-UHFFFAOYSA-N 431.495 4.496 5 20 IIBD CN(C)S(=O)(=O)c1cccc(CNc2cc([N+](=O)[O-])ccc2Nc2ccccc2)c1 23626175 LLZIHEQCBPSXOS-UHFFFAOYSA-N 426.498 4.201 5 20 IIBD C[C@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)Nc1ccc(Cl)cc1 24499023 RCTODTLUYNCMOQ-AWEZNQCLSA-N 431.876 4.035 5 20 IIBD COc1ccccc1N(C(C)=O)c1nc(COC(=O)c2c(C)cccc2[N+](=O)[O-])cs1 26119239 VLVRKERAIVSOIG-UHFFFAOYSA-N 441.465 4.410 5 20 IIBD COc1cccc([C@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)N2CCCC2)c1 27341114 ZAFCXICNZKVXIP-IBGZPJMESA-N 425.510 4.385 5 20 IIBD CCN(C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1cccc(Br)c1 27678777 JOBPAZLZICCBIV-UHFFFAOYSA-N 448.273 4.099 5 20 IIBD O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)c1cc2ccccc2c2cccnc12 58916269 ZYLKMVXCHKSRQN-UHFFFAOYSA-N 447.516 4.130 5 20 IIBD Cc1cccc(C(=O)Nc2cc(NC(=O)CN3CCCC[C@H]3C)ccc2F)c1[N+](=O)[O-] 58988343 UZSZUMMMWPSZBO-OAHLLOKOSA-N 428.464 4.108 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 111040891 GUFAXMMMIGGMQL-UHFFFAOYSA-N 439.491 4.326 5 20 IIBD COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)CCn1cc([N+](=O)[O-])nc1C 116548411 ZMXLUCIOXWSWMG-GOSISDBHSA-N 436.512 4.158 5 20 IIBD COc1cc(CN[C@@H](C)C(=O)N2CCCC[C@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 237141288 ZVDWZEKRNUAWKG-MSOLQXFVSA-N 441.528 4.062 5 20 IIBD O=C(NC1(c2cccc(Br)c2)CCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 302962211 GQAHVAYCPCZCOA-UHFFFAOYSA-N 441.285 4.352 5 20 IIBD Cn1c(CCNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)nc2cc(F)ccc21 303464726 MJCJTZLKERNQQO-UHFFFAOYSA-N 434.427 4.385 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 303827771 QHPFPCHJUWKQOW-UHFFFAOYSA-N 440.450 4.300 5 20 IIBD COc1c(C(=O)Nc2ccc(I)cc2Cl)cccc1[N+](=O)[O-] 389374021 MBJYQWLBRHRKOT-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(F)cc1I 426852987 FBHPPNBJWWELPY-UHFFFAOYSA-N 434.592 4.173 5 20 IIBD Cc1cc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(C)n1Cc1ccccn1 427604205 OANWVRIODSMVTE-UHFFFAOYSA-N 432.402 4.405 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@](CO)(Cc2ccccc2)C1 428557437 CNYQWLJNVFSMHH-NRFANRHFSA-N 434.945 4.184 5 20 IIBD CCOc1ccc([C@H](C)NC[C@H](CO)Cc2ccccc2Br)cc1[N+](=O)[O-] 429420690 VZFLEWGIYXHKTM-LSDHHAIUSA-N 437.334 4.258 5 20 IIBD CCC[C@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)c1ccccc1 430358734 PEWQNMOZGLEBJW-HNNXBMFYSA-N 434.290 4.262 5 20 IIBD CC(=O)N1CCN(Cc2cccc(NCc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c2)CC1 436403997 AYAZMOZZONIPLP-UHFFFAOYSA-N 434.496 4.131 5 20 IIBD O=C(Nc1cccc(Cl)c1N1CCOCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437362135 BUSKBQGAMYBFEX-UHFFFAOYSA-N 429.782 4.356 5 20 IIBD CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 439517824 GIJQXVDNMBWOOT-INIZCTEOSA-N 443.466 4.371 5 20 IIBD CC(C)[C@H](NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1ccc(C(F)(F)F)cc1 439656866 WJSXLYSRZOBQFY-KRWDZBQOSA-N 444.431 4.144 5 20 IIBD O=C(NCc1cccc(COc2ccccc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 445773015 KJRLXMYPWFUVKT-UHFFFAOYSA-N 439.855 4.082 5 20 IIBD O=C(CN(Cc1ccccc1F)C(=O)Cc1cccc([N+](=O)[O-])c1)Nc1ccccc1F 460739042 WIJBJBHFRJXEGA-UHFFFAOYSA-N 439.418 4.083 5 20 IIBD CNc1c(C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)cccc1[N+](=O)[O-] 462776892 SKEKNTKEPGLSRF-UHFFFAOYSA-N 444.245 4.234 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNc2cccnc2-n2cncn2)cc1 463247458 NUWUTIPPMSSQLZ-UHFFFAOYSA-N 438.451 4.035 5 20 IIBD COc1cc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)c([N+](=O)[O-])cc1F 463442076 GARFKVKXXCKHED-UHFFFAOYSA-N 441.444 4.330 5 20 IIBD CCOc1ccc(C(=O)N2CCCCC2)cc1NCc1cc(OC)c(F)cc1[N+](=O)[O-] 464085241 ONWAXQBJHOHGAJ-UHFFFAOYSA-N 431.464 4.379 5 20 IIBD CN1CCC(N(C[C@H]2C[C@H]3C=C[C@H]2C3)C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 464682159 FHESKERTSFKOGK-HRCADAONSA-N 448.361 4.106 5 20 IIBD COc1ccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1OCc1cn2ccccc2n1 466308413 NTORYAOQNLSTNG-UHFFFAOYSA-N 436.399 4.222 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCc2cc3cc(Br)ccc3[nH]2)cc1OC 466343501 LLYABMRBFWHQIJ-UHFFFAOYSA-N 448.273 4.176 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N(C)C3CCN(c4cccnn4)CC3)c([N+](=O)[O-])c2)cc1 467444688 PQSYBPLJBHSOLR-UHFFFAOYSA-N 446.511 4.051 5 20 IIBD Cc1ccc(-c2csc(NC(=O)c3cn(Cc4cccc(F)c4)nn3)n2)cc1[N+](=O)[O-] 468830749 DIOXMCWBGXSLMJ-UHFFFAOYSA-N 438.444 4.058 5 20 IIBD C[C@H](C(=O)NCc1cnn(-c2ccc(Br)cc2)c1)c1ccc([N+](=O)[O-])cc1F 470349528 KESMEMOYRPIZJS-LBPRGKRZSA-N 447.264 4.102 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1 470876635 XASSOCAOCRWBIV-UHFFFAOYSA-N 445.475 4.378 5 20 IIBD COc1ccccc1-c1ccc([C@H](C)NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1 472605546 IVSKEYMRWDBULB-AWEZNQCLSA-N 437.427 4.225 5 20 IIBD O=C(Nc1cc(-c2ccc(OC(F)F)cc2)no1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 478537291 IZQIAJZMFUCKTO-UHFFFAOYSA-N 441.350 4.289 5 20 IIBD COCCCC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccccc1 480631665 RZCCOPCDMMSCRM-KRWDZBQOSA-N 446.447 4.450 5 20 IIBD CCN(CC)C(=O)COc1cccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 482873774 ZIUCAYDNVIOIFW-UHFFFAOYSA-N 440.500 4.039 5 20 IIBD CCOc1ccc(Oc2ccc(NC(=O)C(=O)NCc3cccc([N+](=O)[O-])c3C)cc2)cc1 483811874 XKIFUJPFKSBFME-UHFFFAOYSA-N 449.463 4.349 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Sc1nnc(N2CCOCC2)n1-c1cccc(F)c1 484512671 GYEDHSZMVFCVCA-OAHLLOKOSA-N 443.504 4.313 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(OCCc2ccccc2)CC1 486423318 QTUBEWPYGLTKJS-UHFFFAOYSA-N 444.553 4.197 5 20 IIBD C[C@]1(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCCN(C(=O)c2ccccc2)C1 486694224 BUDKMWGRSQLHDZ-NRFANRHFSA-N 449.429 4.172 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H](C)Cc2ccncc2)cc1[N+](=O)[O-] 487826918 YZFRFNDTSZUIPE-HNNXBMFYSA-N 435.505 4.304 5 20 IIBD CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)n[nH]1 489197913 XUTVUJCXPCTBAZ-GHMZBOCLSA-N 425.439 4.082 5 20 IIBD C[C@@H]1C[C@@H]1c1cc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n[nH]1 490244461 KSOWACWHHIGSTE-QRWLVFNGSA-N 442.479 4.475 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)cc1[N+](=O)[O-] 491722432 XYCFJPMBNXENDC-UHFFFAOYSA-N 439.921 4.052 5 20 IIBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)[C@@H]1C[C@H]1c1cccc(Br)c1 494066288 NUATXIGOBAHECW-UONOGXRCSA-N 433.258 4.261 5 20 IIBD CCOC(=O)c1ccc(N(CC2CC2)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1 497797942 BCPGHAKGHDBAMU-UHFFFAOYSA-N 434.395 4.430 5 20 IIBD CC(C)[C@H](NC(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1Cl 497988567 LEDSIGYAMKCFAD-SFHVURJKSA-N 438.311 4.074 5 20 IIBD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)ccc21 498274858 FEFNGVHJKJGFOQ-UHFFFAOYSA-N 445.479 4.218 5 20 IIBD CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)n2)cc1 498280963 AFERHHYCSOTBOT-UHFFFAOYSA-N 433.449 4.477 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)C1CCN(Cc2ccccc2)CC1 499378436 QLLMMFCURIMBEX-MRXNPFEDSA-N 431.920 4.139 5 20 IIBD O=C(N[C@@H](c1ccc(Cl)cc1)c1cccs1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 500788623 TXQAKTSKUNUXSZ-IBGZPJMESA-N 439.884 4.410 5 20 IIBD CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H](CO)c1cccc(Br)c1 501435475 OHWYACSPMKAUHV-SFHVURJKSA-N 446.301 4.220 5 20 IIBD Cc1cnc(O)n1-c1ccc([C@@H](C)NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 501858605 VIVJSZHYUYPHAU-HUUCEWRRSA-N 426.498 4.153 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCO[C@@H](c2ccccc2Cl)C1 505149661 WVQQCKQDOCXMGF-QGZVFWFLSA-N 444.793 4.403 5 20 IIBD CCOC(=O)c1ccc(F)c(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1Br 505440760 UDRLIDUBKAJQEE-UHFFFAOYSA-N 425.210 4.234 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)c1ccc(F)cc1 505642556 WWGHYWZTFHWTRJ-LJQANCHMSA-N 443.475 4.004 5 20 IIBD COc1ccc([C@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c2ccccc2OC)cc1 506701060 NEECZYMRPBPFPA-DEOSSOPVSA-N 447.491 4.469 5 20 IIBD COc1ccc(CSCC(=O)N(C)c2ccc(Br)cc2F)cc1[N+](=O)[O-] 509715699 XJDQNEPKFWBIBY-UHFFFAOYSA-N 443.294 4.401 5 20 IIBD C[C@H]1C[C@@H](CCNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 510114316 USSADHNEMYAETM-AZUAARDMSA-N 447.539 4.026 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 513519770 LLWDMXXZZNVLOO-MRXNPFEDSA-N 435.868 4.284 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 513806475 JSNLJMHONZCNBI-QGZVFWFLSA-N 444.431 4.144 5 20 IIBD C[C@@H]1CCCN(c2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2Cc2ccco2)C1 514490798 LJAHTAJBRMPHJS-OAHLLOKOSA-N 441.513 4.039 5 20 IIBD COc1ccc2[nH]cc(C3=CCN(C(=O)c4cc(OC)c(OC)cc4[N+](=O)[O-])CC3)c2c1 515217399 XNAMUEBELHLYCX-UHFFFAOYSA-N 437.452 4.031 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3cccc(OCCCN(C)C)c3)cc2[N+](=O)[O-])CC1 518898998 NDLXHLDACHFDAH-UHFFFAOYSA-N 440.544 4.414 5 20 IIBD O=C(CNc1cccc(COC2CCCCC2)c1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 520029472 AQGSYDMYYHNBNW-UHFFFAOYSA-N 427.457 4.223 5 20 IIBD Cc1ccc(Sc2ccc(CN[C@H](C)C(=O)NCc3ccco3)cc2[N+](=O)[O-])cc1 521173600 CFQJOTLHZDOIQM-MRXNPFEDSA-N 425.510 4.442 5 20 IIBD Cc1ccc(S(=O)(=O)CCC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 522670810 FMLRTIUGDBZNMV-UHFFFAOYSA-N 440.477 4.498 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC=C(c2c[nH]c3cc(F)ccc23)CC1 532661668 OPRPNHRJAJGNEJ-UHFFFAOYSA-N 436.443 4.303 5 20 IIBD COc1ccccc1CN(C[C@H]1CCCO1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 533464631 KEXZMVWVTVMDOK-GOSISDBHSA-N 438.402 4.444 5 20 IIBD COc1ccccc1C(=O)N1[C@H](C(=O)N(C)c2cccc([N+](=O)[O-])c2)C[C@@H]2CCCC[C@H]21 533606779 YZFXDUKLGXSAAD-DQLDELGASA-N 437.496 4.040 5 20 IIBD O=[N+]([O-])c1cc2c(O)ncnc2cc1NCCCOc1ncc(C(F)(F)F)cc1Cl 535229475 MRBSWKGXDXVFLW-UHFFFAOYSA-N 443.769 4.192 5 20 IIBD COC(=O)CCSc1cccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 535944466 YQTRXOVJXYKFIJ-UHFFFAOYSA-N 443.525 4.105 5 20 IIBD O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCN(c2ccc(F)cn2)CC1 537169100 JBIIZDUMEHSZNZ-UHFFFAOYSA-N 438.484 4.243 5 20 IIBD Cc1ccc([C@H](C)NCC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] 537178575 OZPHGHKLLAJLMR-KBPBESRZSA-N 425.407 4.330 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cc1SC 539152687 LUFCOEGJAGTYLU-KBXCAEBGSA-N 440.880 4.378 5 20 IIBD COc1ccc(-c2ccc(CNc3nnc(CCOc4ccccc4)o3)o2)c([N+](=O)[O-])c1 539693628 JOQGPOFLDJJBOQ-UHFFFAOYSA-N 436.424 4.480 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(N2CCOC[C@H]2c2c(C)nn(-c3ccccc3F)c2C)n1 542864362 WBDXWFIRYPXPTR-IBGZPJMESA-N 425.464 4.126 5 20 IIBD CCc1ccc([C@H](Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)c2ccc([N+](=O)[O-])cc2)o1 543428133 LACPBZUOYDYPQJ-LADGPHEKSA-N 448.523 4.401 5 20 IIBD C[C@H](C(=O)N1C[C@@H](CC(=O)N(C)C)c2cc(Cl)ccc21)c1ccc([N+](=O)[O-])cc1F 544400001 FUIDLMORRLBESX-QWHCGFSZSA-N 433.867 4.100 5 20 IIBD CN(C(=O)CN[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 544409856 JYBOZHZGYWPVCO-QFIPXVFZSA-N 447.470 4.078 5 20 IIBD O=C1CCCN1Cc1ccccc1-c1noc(CCOc2ccc(Cl)cc2[N+](=O)[O-])n1 546276246 NHCDAUVZOSXFBB-UHFFFAOYSA-N 442.859 4.042 5 20 IIBD COCCOc1ccccc1S(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 546522038 QBNLCIRRIPYEQC-UHFFFAOYSA-N 442.493 4.016 5 20 IIBD Cc1cc(=O)c(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)nn1-c1ccccc1[N+](=O)[O-] 546996737 AWELSBVJPZUEPD-UHFFFAOYSA-N 443.341 4.185 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)c1ccc(-c2ccccc2)nn1 551643487 ASSDJCBHWMNHGQ-UHFFFAOYSA-N 427.258 4.399 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CC[C@@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] 553325557 CSSNLNWNRCZRTQ-OAHLLOKOSA-N 429.889 4.115 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)cc1[N+](=O)[O-] 553608746 NRHXOEXWFORKNE-OMXJDXKCSA-N 439.516 4.063 5 20 IIBD CCOC(=O)CN(C(=O)c1cc([N+](=O)[O-])cc(Br)c1C)c1ccccc1F 556378834 KJROOJHYKXQLSF-UHFFFAOYSA-N 439.237 4.015 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1-c1nc(-c2n[nH]c(-c3cccc(Br)c3)n2)no1 559986574 FEDUMGPIFVPMAQ-UHFFFAOYSA-N 427.218 4.168 5 20 IIBD COCc1cnc(NC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)s1 561072181 IVEFEXBPISSDJI-UHFFFAOYSA-N 443.506 4.403 5 20 IIBD Cn1nncc1CSc1nc2cc([N+](=O)[O-])ccc2n1-c1cccc(C(F)(F)F)c1 562040376 KFTRTQVIVYKGNM-UHFFFAOYSA-N 434.403 4.373 5 20 IIBD COCCOc1ccc(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)c(Cl)c1 564268892 KTXYUSLTWOCRGE-UHFFFAOYSA-N 428.832 4.396 5 20 IIBD O=[N+]([O-])c1ccc(C(F)(F)F)c(CN[C@H](CO)c2ccc(Br)c(F)c2)c1 570811571 IBBKRHVSRHKEEP-OAHLLOKOSA-N 437.187 4.338 5 20 IIBD CCN(CC)[C@H](c1cccc(C(F)(F)F)c1)c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 571721412 RHYXDLQANJZGKR-GOSISDBHSA-N 435.406 4.414 5 20 IIBD CCOc1cc(CSc2nnc(N3CCCCC3)n2C[C@@H]2CCCO2)ccc1[N+](=O)[O-] 579176945 LQLCXCJKEOYCIE-KRWDZBQOSA-N 447.561 4.047 5 20 IIBD O=C(Nc1cccc(-c2noc(-c3ccn(-c4cccc([N+](=O)[O-])c4)n3)n2)c1)c1ccco1 583966222 RWHRRRHCYJUYBG-UHFFFAOYSA-N 442.391 4.343 5 20 IIBD COc1cc(CNc2cccc(S(C)(=O)=O)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 600847995 BOVHQHKTHFNSFH-UHFFFAOYSA-N 442.493 4.198 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(-c4cc(O)n[nH]4)cc3)cc2[N+](=O)[O-])C1 603879286 PDOFAIXYOXBFNN-HUUCEWRRSA-N 435.484 4.425 5 20 IIBD O=C(CN[C@H](c1ccccc1)c1cccc(Cl)c1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 604009152 BTCWWRIFSSONJK-JOCHJYFZSA-N 439.855 4.295 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(CCC(C)C)C3CC3)cc2)cc1[N+](=O)[O-] 608853228 VORCFQZXZOIPQM-UHFFFAOYSA-N 445.541 4.355 5 20 IIBD CC(C)OC(=O)c1ccc(Cl)c(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c1 608897866 BUIDYTYWXAIOFV-UHFFFAOYSA-N 428.832 4.251 5 20 IIBD O=C(Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1cc([N+](=O)[O-])cc2c1OCCO2 608936984 RKMKEXUJGYTLFO-UHFFFAOYSA-N 449.391 4.343 5 20 IIBD O=[N+]([O-])c1ccc(OCCNCc2cn(Cc3ccccc3)nc2-c2cccnc2)cc1 609466537 GLUDNOFUGYHPTA-UHFFFAOYSA-N 429.480 4.070 5 20 IIBD CCOc1ccc(NC(=O)CNc2ccc(C)c(NC(=O)C(C)(C)C)c2)c([N+](=O)[O-])c1 609535953 WHNGDQDIPFBEHI-UHFFFAOYSA-N 428.489 4.337 5 20 IIBD CCN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H](c1cccnc1)c1ccc(F)c(F)c1 609580051 IWJIPUYXJKKJPD-OAQYLSRUSA-N 441.390 4.248 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H](c2cccc(F)c2)c2cnn(C)c2)cc1SC 609969689 ITKJDVRORLKXFG-HXUWFJFHSA-N 444.488 4.060 5 20 IIBD COc1ccc(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1N1CCCCC1=O 610094215 NZAVVKMPBHQXSF-UHFFFAOYSA-N 440.500 4.265 5 20 IIBD C[C@H](CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1cccc(C(F)(F)F)c1 610118292 PAWNOQAZDJKQCW-OAHLLOKOSA-N 449.429 4.092 5 20 IIBD COC(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccccc2Br)cc([N+](=O)[O-])c1 610672465 JFFOLJHTLPYPEI-QGZVFWFLSA-N 433.258 4.121 5 20 IIBD COc1ccc2c(c1)OCC[C@@H]2NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 618669188 MERNMSIASZWBQS-NRFANRHFSA-N 434.448 4.436 5 20 IIBD COc1cc(C(=O)N2CC([C@@H]3CCOC3)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 619423019 PSBGOSJMBVWIRU-CQSZACIVSA-N 432.860 4.158 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1 619607650 NZJIMXPNCHEDSU-CQSZACIVSA-N 426.498 4.458 5 20 IIBD Cc1nc(-c2ccsc2)ccc1C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 726229323 BYSATJNXIQSHFF-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD COc1ccc(NC(=S)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)cc1F 726450369 VZYRCFOHXSLTHA-UHFFFAOYSA-N 445.476 4.400 5 20 IIBD O=C(COC(=O)[C@H](OC1CCCC1)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl 727017288 LHSPJHIQVUTBBD-HXUWFJFHSA-N 432.860 4.430 5 20 IIBD COC(=O)Nc1cc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)ccc1F 727334544 YTXXWGQYCBPTSE-UHFFFAOYSA-N 430.436 4.401 5 20 IIBD O=C(Nc1ccccc1OC(F)F)c1ccc(I)c([N+](=O)[O-])c1 727747798 UEFHTJOBPCAENM-UHFFFAOYSA-N 434.136 4.053 5 20 IIBD O=C(c1ccc(I)c([N+](=O)[O-])c1)N1CCCSc2ccccc21 727747922 AOWKNPNXOAKTNC-UHFFFAOYSA-N 440.262 4.342 5 20 IIBD CCOc1ccccc1CCNc1cc([N+](=O)[O-])c(OC)c(Br)c1[N+](=O)[O-] 727826169 AYWAKOPZFWXNTH-UHFFFAOYSA-N 440.250 4.327 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCC(=O)c2cccc(C(F)(F)F)c2)cc1SC 728657814 QFUZHSOJQOIEDI-UHFFFAOYSA-N 429.372 4.384 5 20 IIBD O=C(OCc1c(F)cccc1[N+](=O)[O-])C1CCN(c2ccc(C(F)(F)F)cn2)CC1 728989225 UMCWDRQWOUYAFP-UHFFFAOYSA-N 427.354 4.108 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ccc(N2CCOC2=O)cc1 729048753 KINNYMKZZUVNJL-MRXNPFEDSA-N 426.473 4.233 5 20 IIBD COc1ccc(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1OC 729960221 NTXNOMQFTWVBQE-UHFFFAOYSA-N 437.290 4.082 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 731057007 NIYAQUBRGOXVNE-HSZRJFAPSA-N 441.503 4.310 5 20 IIBD CC1=C(C(=O)Nc2cccc(C)c2C)[C@H](c2cc([N+](=O)[O-])c(F)cc2F)NC(=S)N1C 731432266 SVJOMXJTKJZTNH-IBGZPJMESA-N 446.479 4.264 5 20 IIBD O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 731455222 FUJGYIKDZQBBAM-UHFFFAOYSA-N 426.864 4.072 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccc(-c3nc(-c4cccc(F)c4)no3)cc2)c1 731806088 LQORIUBMROOAMV-UHFFFAOYSA-N 441.396 4.219 5 20 IIBD CC1CCN(c2ccc(C(=O)NC[C@H](O)c3ccc4ccccc4c3)cc2[N+](=O)[O-])CC1 731829788 WOHXPNDYLZVKER-DEOSSOPVSA-N 433.508 4.448 5 20 IIBD COc1ccc(COC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])c(OC(F)F)c1 734325559 QBHBQHJEYDSOJL-UHFFFAOYSA-N 429.397 4.292 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccccc1)c1ccccc1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 735354614 VLCOFFZYNPGQDL-QFIPXVFZSA-N 443.415 4.385 5 20 IIBD O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc(Br)c2c(c1)OCO2 735441955 BNLPOUCVVVEQBB-UHFFFAOYSA-N 447.197 4.098 5 20 IIBD CN(C(=O)[C@H](Cc1ccccc1)NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 741868618 VQTZBRDPUMUPMJ-NRFANRHFSA-N 434.521 4.156 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 742342632 WAUVDBKJCQZATJ-QGZVFWFLSA-N 441.440 4.053 5 20 IIBD COc1ccc(OCCOC(=O)c2ccccc2C(=O)c2cccs2)c([N+](=O)[O-])c1 744513404 OQAZTLOFVWEMKI-UHFFFAOYSA-N 427.434 4.132 5 20 IIBD CO[C@@]1(C)C[C@H](NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1(C)C 744722521 AGZCFJSBZZMWPJ-AVRDEDQJSA-N 445.903 4.434 5 20 IIBD CC(C)CC(=O)Nc1ccc(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1F 745289779 VDFRUNSOVDYEOV-UHFFFAOYSA-N 442.403 4.126 5 20 IIBD Cc1cc(-n2c(C)cc(C(=O)O[C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c2C)no1 746175404 DFRIYKCRINOVTB-AWEZNQCLSA-N 437.412 4.267 5 20 IIBD Cc1c(C(=O)N[C@@H](C)COc2ccccc2C(F)(F)F)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748630534 NQULCNGXISLOMB-JTQLQIEISA-N 441.362 4.336 5 20 IIBD COC(=O)c1cc(Br)cc(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])c1Cl 749175854 DTNCTIVALFGYHN-UHFFFAOYSA-N 445.628 4.497 5 20 IIBD CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CCC(NC(=O)OC(C)(C)C)CC1 749442109 HNZCMIFOAKEIRM-UHFFFAOYSA-N 432.521 4.077 5 20 IIBD C[C@@H](OC(=O)c1cccc(Cl)c1[N+](=O)[O-])C(=O)N(C)Cc1nc2ccccc2s1 750533229 NYCMYICQUJDUJW-LLVKDONJSA-N 433.873 4.062 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 750832320 BFMNNXUEGJTZED-MRXNPFEDSA-N 446.548 4.033 5 20 IIBD Cc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)ccc1C(=O)NC(C)C 754999211 AHBDJQFULYYUNZ-UHFFFAOYSA-N 438.253 4.195 5 20 IIBD C[C@H](C(=O)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1F 755473117 SQCWJRGZZFUOTM-DYZYQPBXSA-N 434.773 4.057 5 20 IIBD C[C@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(NC(=O)NC2CC2)cc1 756967180 JZUNSWKLOIACEJ-LBPRGKRZSA-N 431.880 4.093 5 20 IIBD Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1cccc([N+](=O)[O-])c1Br 758173591 VSFGJICQXCSAPK-UHFFFAOYSA-N 432.274 4.154 5 20 IIBD O=C(NC[C@H](O)c1ccc(Cl)c(F)c1)Nc1ccc(Br)c([N+](=O)[O-])c1 762971647 NVFCPBQELHXCKX-AWEZNQCLSA-N 432.633 4.005 5 20 IIBD CCCn1c(C)nnc1COC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(C)cs1 763618359 TXIBAVCRLKHAOW-UHFFFAOYSA-N 433.515 4.178 5 20 IIBD COc1ccc([C@H](OC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)[C@H](C)n2cccn2)cc1 764622233 VKHBEEMEKGUGHA-KSFYIVLOSA-N 447.451 4.145 5 20 IIBD Cc1oc2ccccc2c1CNC(=O)c1cc([N+](=O)[O-])ccc1I 767241386 XNRXKFLJFCPMLH-UHFFFAOYSA-N 436.205 4.184 5 20 IIBD COc1cc(Cl)ccc1NC(=O)c1cc(I)cc([N+](=O)[O-])c1 772912164 LHKMDPJLXKWMGE-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](C)[C@@H](O)c1c(Cl)cccc1Cl 773038745 GXNAWXVRPOZDKZ-HNYWDRBLSA-N 426.300 4.330 5 20 IIBD CCc1ccc(NC(=O)[C@H](C)OC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 773596013 AXDJUXINPWOKAP-VIFPVBQESA-N 427.276 4.165 5 20 IIBD CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C[C@H](O)c1ccc([N+](=O)[O-])cc1 776580108 VYMNJNBJFRNCQL-SFHVURJKSA-N 426.300 4.286 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)c1csc(Cc2ccccc2F)n1 778799003 JMQNBUCTANOXTD-OAHLLOKOSA-N 445.447 4.356 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2cnn(CC(C)C)c2)c2ccccc2)c([N+](=O)[O-])c1 781688881 GOTIASTVIKGYEK-OAQYLSRUSA-N 436.468 4.293 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCc1ccc(C(=O)Nc2ccccc2)cc1 781735420 OKHRALHNJCGPTP-UHFFFAOYSA-N 449.419 4.431 5 20 IIBD O=C(C[C@H]1CCCCCN1C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccco1 782009103 KZMNUWYMCYVNRV-MRXNPFEDSA-N 429.429 4.073 5 20 IIBD CC1=C(C(=O)N(C)C)[C@H](c2ccc([N+](=O)[O-])s2)NC(=O)N1c1ccc(F)c(Cl)c1 782248034 LODSGXZCMDYYRZ-INIZCTEOSA-N 438.868 4.082 5 20 IIBD COC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)OC(=O)c1cc([N+](=O)[O-])ccc1Cl 783097723 YKTTVGXWNSDSGT-OAHLLOKOSA-N 431.750 4.208 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)cc2)nc1 783297343 FSJXEGYFAHUTEA-UHFFFAOYSA-N 446.463 4.220 5 20 IIBD CCNc1ccc(C(=O)OCc2nnc(-c3cc4c(s3)CCCC4)o2)cc1[N+](=O)[O-] 784317671 JCXCTAWIUJBVCE-UHFFFAOYSA-N 428.470 4.374 5 20 IIBD COc1ccc(-c2noc([C@H](C)OC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)n2)cc1 784585031 IDBJOSJFWZSPHU-JTQLQIEISA-N 435.339 4.173 5 20 IIBD CCCC1CCC(NC(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2Br)CC1 784686158 LESFOSNYEQZFSC-UHFFFAOYSA-N 426.311 4.079 5 20 IIBD Cc1c(C(=O)N[C@H]2CSc3ccc(Br)cc32)cc([N+](=O)[O-])cc1[N+](=O)[O-] 786021670 RFJGNRWLCUTNNO-ZDUSSCGKSA-N 438.259 4.151 5 20 IIBD COC(=O)N(C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1 786196780 KYQPHOUCKDYALW-UHFFFAOYSA-N 436.262 4.116 5 20 IIBD Cc1cnc(CC(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)s1 787021764 CDJBEVIXNDEQFJ-IBGZPJMESA-N 445.884 4.479 5 20 IIBD O=C(c1cc(-c2ccncc2)nc2ccccc12)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 787502428 KPNARSAQOXHAPU-UHFFFAOYSA-N 426.432 4.108 5 20 IIBD C[C@@H](OC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(=O)c1ccccc1C(F)(F)F 789022156 BQJIULMZPMVLRG-GFCCVEGCSA-N 433.342 4.228 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 790881716 DTALGCRKDCISQX-STQMWFEESA-N 443.903 4.082 5 20 IIBD CN(Cc1cccc(Br)c1)C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 792966398 ZTNKYXLESCPAFK-UHFFFAOYSA-N 448.317 4.252 5 20 IIBD C[C@@H](C(=O)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(C(F)(F)F)cc1 798820028 SECQMYZVSDVHRO-LLVKDONJSA-N 444.793 4.344 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 801951353 DUVIAHWHHQWQHF-MRXNPFEDSA-N 429.395 4.265 5 20 IIBD COCc1cnc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 804305583 SGCSIGGIEYWOET-UHFFFAOYSA-N 446.872 4.356 5 20 IIBD COc1ccc(-c2ocnc2C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 808643226 VBJJWNSUSQWQOD-NSHDSACASA-N 445.815 4.096 5 20 IIBD CN(CC(=O)N(C)c1cccc2ncccc12)c1cc(Br)ccc1[N+](=O)[O-] 808646606 QHCHTGCLCZFWST-UHFFFAOYSA-N 429.274 4.005 5 20 IIBD CCn1ccnc1[C@@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 809844053 TZZNXFZQNZGOGS-ZDUSSCGKSA-N 433.317 4.034 5 20 IIBD O=C(CCN1C(=O)CCc2ccccc21)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811217044 UEYMMNUJDZHPIX-UHFFFAOYSA-N 437.477 4.131 5 20 IIBD C[C@@H](NC(=O)OCc1ccccc1)C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811220730 NVLDDFIMSIOAQN-CQSZACIVSA-N 441.465 4.076 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@@H](C)OC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811374324 FXKCXDUVQRJODT-SNVBAGLBSA-N 427.240 4.403 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)CC2)C1 811810152 VAEZXCALAOBASY-OAHLLOKOSA-N 436.484 4.235 5 20 IIBD CN(Cc1ccc(Br)s1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] 814979451 OLCILHALAYBWRX-UHFFFAOYSA-N 443.703 4.032 5 20 IIBD CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 816571475 FUFFZFYHXHLQSY-ZDUSSCGKSA-N 445.438 4.381 5 20 IIBD CCOC(=O)c1cnn(-c2cccc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])c2)c1C 915157784 RCEQJAZQAFLBNU-UHFFFAOYSA-N 428.832 4.171 5 20 IIBD C=C1c2ccccc2C(=O)N1CCC(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 915864889 GUWRZNIODQKPTO-UHFFFAOYSA-N 433.386 4.003 5 20 IIBD O=C(Nc1ccc(Cl)cc1)C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 916953395 PJCBLUXNOXBPNP-UHFFFAOYSA-N 439.811 4.045 5 20 IIBD O=c1c2c3c(sc2nc(Sc2ccc([N+](=O)[O-])nc2)n1Cc1ccco1)CCCC3 917090283 FTRMDBXSAPWUCK-UHFFFAOYSA-N 440.506 4.433 5 20 IIBD O=C(OCC(=O)c1cc(Br)sc1Br)c1ccc([N+](=O)[O-])cc1 917218239 CTDPFLBZHGILMI-UHFFFAOYSA-N 449.076 4.221 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)c1ccc(OC(F)F)cc1)c1cccc([N+](=O)[O-])c1 918638985 XZLKTGSTPBUJKG-QGZVFWFLSA-N 448.422 4.438 5 20 IIBD O=C(Cc1csc(NC(=O)c2ccccc2F)n1)Oc1cc(Cl)ccc1[N+](=O)[O-] 921135232 ZJKVTKOGMMJCGZ-UHFFFAOYSA-N 435.820 4.244 5 20 IIBD CCc1cc(OC(=O)[C@@H](CCSC)NC(=O)c2cccc([N+](=O)[O-])c2)ccc1Cl 928989139 QRLPQIJAYHSFNY-GOSISDBHSA-N 436.917 4.268 5 20 IIBD C[C@H](CC(=O)OC(C)(C)C)NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 1116052140 SYHYMGJOCYVFNF-HUUCEWRRSA-N 428.489 4.013 5 20 IIBD Cc1cc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)ccc1N1CCCC1=O 1253554020 GGJNZVQHNGXCHT-UHFFFAOYSA-N 432.274 4.353 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCO[C@H](c3ccc(Cl)s3)C2)cc1SC 1319213632 CJQQPVGSDLLHOG-ZDUSSCGKSA-N 428.919 4.254 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(O)(Cc2ccccc2F)CC1 1320934258 WXYVBASSYIWZCB-UHFFFAOYSA-N 438.908 4.076 5 20 IIBD Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1N 1321294335 PGNHBYMZGXGLGN-UHFFFAOYSA-N 449.305 4.485 5 20 IIBD O=C(NCc1ccc(NC(=O)C2CC2)cc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 1322252564 OVXKYWUJPYBMEX-UHFFFAOYSA-N 445.475 4.452 5 20 IIBD COc1ccc(NC(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)c([N+](=O)[O-])c1 1517710262 YEDQIZNDOJFFAV-UHFFFAOYSA-N 426.473 4.444 5 20 IIBD CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)Cc3cc(F)ccc3[N+](=O)[O-])CCC2)cc1 1787705409 MWAHVKHSSUIZOV-UHFFFAOYSA-N 427.476 4.457 5 20 IIBD Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)[C@@H]4CCC=CO4)cc3)CCC2)cc1[N+](=O)[O-] 1789504470 MAEJSXWJJPCODD-QFIPXVFZSA-N 449.507 4.273 5 20 IIBD O=C(CCc1ccccc1)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1 1790184526 QWWUFNWQFUYTKF-UHFFFAOYSA-N 432.480 4.303 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)NC1(c2ccc(NC(=O)C3=COCCC3)cc2)CCC1 1791636789 AREWUOVXCOXNGX-UHFFFAOYSA-N 449.507 4.356 5 20 IIBD Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)cc1 1800711202 AXKMAIOURQVQLC-REPLKXPHSA-N 441.915 4.431 5 20 IIBD CC(C)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1824278253 CELUHASZVXZNBD-JRMCHAMMSA-N 431.533 4.257 5 20 IIBD O=C([C@H]1CC=CCC1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830618059 JTGQRZZGBUQIEQ-AVRDEDQJSA-N 443.519 4.324 5 20 IIBD COc1cccc(Nc2nnc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)s2)c1 10267562 LRVNUGJPKFTNNF-LLVKDONJSA-N 431.499 4.318 5 20 IIBD C[C@@H](OC(=O)/C=C/c1ccccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 11442426 PMMBBHJIBLKCLA-OALRPVAKSA-N 426.322 4.336 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 15027193 MYMBCCGVSRGUMQ-GOSISDBHSA-N 435.274 4.256 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1Br 15033390 OSWNPSCTFGERRH-UHFFFAOYSA-N 432.196 4.218 5 20 IIBD Cc1ccc(NC(=O)[C@@H](Sc2nnnn2C(C)(C)C)c2ccccc2)c([N+](=O)[O-])c1 16290414 KEGWOTOKBRHIOL-KRWDZBQOSA-N 426.502 4.117 5 20 IIBD CCN(CCCNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)c1ccccc1 18232813 WFEQILPUOMBVHF-UHFFFAOYSA-N 435.528 4.103 5 20 IIBD COc1ccc(-c2csc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)n2)cc1Cl 20017902 XIURTFSKXLWBKF-UHFFFAOYSA-N 447.856 4.404 5 20 IIBD C[C@H](Oc1cccnc1[N+](=O)[O-])C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 21233927 KAKXSXNBEVDZMB-GUYCJALGSA-N 440.843 4.381 5 20 IIBD COc1ccc(C2=NN(C(=O)COc3ccc([N+](=O)[O-])c(C)c3)[C@H](c3ccco3)C2)cc1 23268130 BWSYBHQJTZKTGW-NRFANRHFSA-N 435.436 4.262 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)cccc1[N+](=O)[O-] 27004289 BXKYNHQOFMEQRC-CQSZACIVSA-N 443.456 4.434 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2ccc(OCC(F)(F)F)cc2s1 31826263 HWHALQNSVHXXRK-UHFFFAOYSA-N 427.360 4.407 5 20 IIBD COC(=O)CCNC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 32990214 YUBFGHJRCJGPMX-UHFFFAOYSA-N 428.388 4.058 5 20 IIBD C[C@@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1ccc(NC(=O)NC2CC2)cc1 64113357 LNWCLMSGPSVAPN-CQSZACIVSA-N 448.483 4.016 5 20 IIBD C[C@H](NC1(CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCCC1)c1ccccc1 78775988 WXNDJFZHPHOSSV-SFHVURJKSA-N 433.512 4.174 5 20 IIBD C[C@H](OC(=O)c1[nH]c2ccccc2c1Br)C(=O)Nc1ccccc1[N+](=O)[O-] 107537039 VLRYNQCNLQYIHM-JTQLQIEISA-N 432.230 4.023 5 20 IIBD CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 109885956 RPUSPQCSLNTYKL-CQSZACIVSA-N 434.899 4.020 5 20 IIBD O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(Cc3nccn3C(F)F)CC2)s1 195601580 QCJDVYMKKRNPMB-UHFFFAOYSA-N 433.484 4.233 5 20 IIBD CCN(CC)[C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1cccc(OC)c1 248260040 VLOWLWUXPGMLAA-QHCPKHFHSA-N 440.544 4.017 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H]3CCC[C@@H]4OCC[C@@H]43)c([N+](=O)[O-])c2)c(C)c1 301684525 WKGIJNFZTVFJLV-JUXOCIIHSA-N 445.541 4.382 5 20 IIBD CC(=O)c1ccc(Oc2cc([N+](=O)[O-])ccc2I)c([N+](=O)[O-])c1 302553635 QZXIXKUYUKHWML-UHFFFAOYSA-N 428.138 4.103 5 20 IIBD Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1NC(=O)Cn1ccc([N+](=O)[O-])n1 304060069 QMFQGNKLXVVWDV-UHFFFAOYSA-N 436.447 4.475 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCSC[C@@H]1c1nccs1 426266928 MSLJFIFWZKKQQB-CYBMUJFWSA-N 432.449 4.070 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N(Cc3ccc(O)cc3)CC3CC3)cc2)c(C)c1[N+](=O)[O-] 427872642 YHINFQUAORCOQK-UHFFFAOYSA-N 434.496 4.214 5 20 IIBD C[C@H](Oc1ccc(F)cc1Br)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 430549177 NAKVSBVJCMEXPL-NSHDSACASA-N 425.254 4.315 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(SCc2cccs2)s1 431323109 ZKSGFKFSBGDKOW-UHFFFAOYSA-N 442.569 4.163 5 20 IIBD O=C(Nc1cccc(CN2CCSCC2)c1)c1cc(Br)cc([N+](=O)[O-])c1 432682143 XYUPCUGWLMGCEU-UHFFFAOYSA-N 436.331 4.158 5 20 IIBD CC(C)CN(C(=O)c1cc2n(n1)CCCO2)c1nc(-c2ccccc2[N+](=O)[O-])cs1 432992290 IYQVGQPNVQEWBE-UHFFFAOYSA-N 427.486 4.000 5 20 IIBD Cc1cc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])n([C@@H]2CCN(Cc3ccccc3)C2)n1 435293827 CXIWUTPOVSVXJP-QGZVFWFLSA-N 439.903 4.452 5 20 IIBD COc1cccc(C(=O)Nc2ncnc3c2c(C)c(C)n3Cc2ccccc2)c1[N+](=O)[O-] 436017456 YKTIOVWOFFNLTP-UHFFFAOYSA-N 431.452 4.266 5 20 IIBD COc1cccc([C@@H](C)N2CCN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CC2)c1 436316361 JCKAKRHCODPTDV-GOSISDBHSA-N 441.531 4.209 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCO[C@H](c2cccc(F)c2)C1 436340266 IKZOFGNPKUPDBV-FQEVSTJZSA-N 438.405 4.312 5 20 IIBD CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H]2CCCC[C@H]12 439988334 MVMNJZQWEKJDBO-WEAICFBNSA-N 444.576 4.026 5 20 IIBD Cc1ccc(NC(=O)C(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)cc1[N+](=O)[O-] 441656489 NXPSPHBLEQOHCF-UHFFFAOYSA-N 430.464 4.095 5 20 IIBD O=C(Nc1cc(F)c(F)cc1I)c1cc(Cl)cc([N+](=O)[O-])c1 443964289 UZLYSRBLHZTRAB-UHFFFAOYSA-N 438.555 4.383 5 20 IIBD COc1ccc(Cl)cc1NC(=O)CCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 444101343 PBWJCPZSERUUTE-UHFFFAOYSA-N 449.894 4.102 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CN1Cc1ccccc1 444222255 FMWZJZWSXSHBTM-DNVCBOLYSA-N 447.485 4.352 5 20 IIBD O=C(Nc1n[nH]c(-c2ccccc2F)n1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444689452 FYVQDKQUNIUBPG-UHFFFAOYSA-N 435.365 4.136 5 20 IIBD CCN(CC)[C@@H](CNC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccccc1 444829437 RLHVYAKFOIAMCG-AWEZNQCLSA-N 426.336 4.232 5 20 IIBD C[C@H](NC(=O)Cc1noc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1)c1ccccc1 445291689 NAUOXHRRUIKPEA-ZDUSSCGKSA-N 435.465 4.188 5 20 IIBD CCOC(=O)[C@H]1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc21 446248133 MXZQHRFSYSUZOT-BBRMVZONSA-N 432.860 4.099 5 20 IIBD Cn1nc(C(C)(C)C)cc1NC(=O)CSc1ccc(Br)cc1[N+](=O)[O-] 447353688 HBSCXVKVTMKTLU-UHFFFAOYSA-N 427.324 4.119 5 20 IIBD COc1ccc(C[C@](C)(N)CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])cc1 447681493 ZZAYLZDHAZQKFT-INIZCTEOSA-N 434.365 4.025 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1nc(-c2cccc(Br)c2)no1 448003442 HQZFOQVHRJAYLN-UHFFFAOYSA-N 446.261 4.346 5 20 IIBD O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@H]2[C@H](CCCN2C2CC2)C1 448451470 YIFKIRUXIJYQGW-OFNKIYASSA-N 434.540 4.296 5 20 IIBD C[C@@H](c1cccnc1)N(C)C(=O)c1cc(C(=O)N(C)[C@H](C)c2cccnc2)cc([N+](=O)[O-])c1 460672591 NWNCFQMVSFSGEM-CALCHBBNSA-N 447.495 4.051 5 20 IIBD CC(C)N(Cc1cccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 461577605 JXZDMYQDQWZNOR-MRXNPFEDSA-N 427.530 4.366 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1CNc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 462242925 HOHRRKZTRSKNBR-IAGOWNOFSA-N 427.501 4.244 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(Br)ccc1-n1cncn1 462493927 YMTYLTKQGSOYFP-CQSZACIVSA-N 444.289 4.145 5 20 IIBD O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 462868970 CYGGLUHHENSWPG-UHFFFAOYSA-N 440.312 4.466 5 20 IIBD COc1ccc(-c2nn(Cc3cc(OC)c(F)cc3[N+](=O)[O-])c(=O)c3ccccc23)cc1 464073556 IRPGGNBMSBMOOP-UHFFFAOYSA-N 435.411 4.176 5 20 IIBD CC(C)CN(C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])C1CCN(C)CC1 464576793 MNCIUZRTOQZXEB-UHFFFAOYSA-N 425.529 4.366 5 20 IIBD O=C(c1ccc(OCc2ccccc2)nc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464664589 REXSSEJGNQARQZ-UHFFFAOYSA-N 433.464 4.252 5 20 IIBD CC[C@@](NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])(C(N)=O)C(C)C 466249305 LEKFMUBOLMXHHQ-FQEVSTJZSA-N 435.933 4.419 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 466742192 DUYNFKDHBFMZEA-FVESOWDASA-N 427.888 4.037 5 20 IIBD O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H]1c1cc(F)cc(Br)c1 467199191 XXWOZPIMVHRARJ-IAGOWNOFSA-N 439.281 4.073 5 20 IIBD C[C@@]1(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCCS1 467321370 LYVYBNRAEKNCFF-SFHVURJKSA-N 431.480 4.232 5 20 IIBD C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)c1cc2ccccc2o1 468272327 VHRYWNIGGDBDLY-JTQLQIEISA-N 436.205 4.437 5 20 IIBD COc1cc(S(=O)(=O)N[C@@H](C)c2sc(-c3ccccc3)nc2C)ccc1[N+](=O)[O-] 469197740 XVQYJHFAJZRNPA-ZDUSSCGKSA-N 433.511 4.075 5 20 IIBD O=C(N[C@@H]1CSc2ccc(Br)cc21)c1ccc([N+](=O)[O-])c2cccnc12 470525220 FKYHRZWGEWHHDJ-CQSZACIVSA-N 430.283 4.482 5 20 IIBD C[C@H](NS(=O)(=O)c1cccc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c1)c1ccccc1 470711659 ZLMBKERTRSLIFQ-AWEZNQCLSA-N 443.456 4.026 5 20 IIBD O=C(c1cc(F)ccc1-c1ccoc1)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 472509495 YAIAUTILKPAWEB-UHFFFAOYSA-N 449.442 4.223 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@H](c1ccc(Cl)cc1)c1cccs1 472558972 IYVWPDWUVMAGMQ-QGZVFWFLSA-N 433.848 4.293 5 20 IIBD CC(=O)N(c1nc(Cn2cc([N+](=O)[O-])c(C)cc2=O)cs1)c1c(C)cc(C)cc1C 474391354 NMNLVJYWHVYUJO-UHFFFAOYSA-N 426.498 4.180 5 20 IIBD Cc1ccc([C@H](C)NC(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] 474672701 LOPHWYPSCWJQOG-NSHDSACASA-N 425.272 4.209 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@H](CCO)c2ccccc2)cc1 476092373 UTKAGINNDOKMTB-SFHVURJKSA-N 436.464 4.292 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)c([N+](=O)[O-])c1 481864485 ZCBUGYMXUVJHHE-UHFFFAOYSA-N 428.854 4.015 5 20 IIBD O=C(Nc1ccc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)cc1)c1ccccc1 483849601 VFZLAJOSOXQYSU-UHFFFAOYSA-N 433.420 4.261 5 20 IIBD CCOc1cc(NC(=O)C(=O)N[C@@H](C)[C@H](C)C2CCCCC2)c([N+](=O)[O-])cc1OCC 484097062 QJYUFKVXUYAGLC-GJZGRUSLSA-N 435.521 4.052 5 20 IIBD O=C(O)C[C@@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccc(F)cc1 485537568 ALDHINURKBELKN-HXUWFJFHSA-N 437.427 4.292 5 20 IIBD Cc1ccc([C@H]2OCCC[C@H]2NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 486188174 DRPNUDKCVUIOHB-IUODEOHRSA-N 425.304 4.377 5 20 IIBD COC(=O)[C@@H](CNC(=O)c1cccc(SC)c1[N+](=O)[O-])Cc1ccc2ccccc2c1 486231568 NIEVDMYNVYAAGI-GOSISDBHSA-N 438.505 4.232 5 20 IIBD O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 487042546 ONENXXIPUSIGFC-SFHVURJKSA-N 436.537 4.013 5 20 IIBD CS(=O)(=O)c1cc(C(=O)NC2(c3c(Cl)cccc3Cl)CCC2)cc([N+](=O)[O-])c1 487225447 WIQCPHRFRPZAPB-UHFFFAOYSA-N 443.308 4.114 5 20 IIBD C[C@H]1CN(c2cccc3cnccc23)CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 487629165 FDEIRSGGZPLPCN-INIZCTEOSA-N 431.496 4.068 5 20 IIBD CC1CCN(C(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)cc2)CC1 487646389 PUCDPKLLCCPFBD-UHFFFAOYSA-N 433.411 4.321 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H](C)Cc3ccncc3)c([N+](=O)[O-])c2)c(C)c1 487662772 GQDXRVVYSXXAFF-KRWDZBQOSA-N 440.525 4.451 5 20 IIBD CC(=O)N(c1ccc(C)cc1)c1nc(Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)cs1 487884037 DYCRTNKVBDFRAY-UHFFFAOYSA-N 434.477 4.408 5 20 IIBD CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 488890318 LTMRMFYTOCHTML-UHFFFAOYSA-N 433.711 4.222 5 20 IIBD Cc1ccc2nc([C@H]3CCCN(C(=O)c4cc([N+](=O)[O-])ccc4OC(F)F)C3)[nH]c2c1 489625283 QGCHGYJITYTAGQ-ZDUSSCGKSA-N 430.411 4.401 5 20 IIBD COc1c(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc(Br)c(C)c1[N+](=O)[O-] 491605019 RGORYUSTSBJVTG-UHFFFAOYSA-N 443.319 4.400 5 20 IIBD COC(=O)c1cc(NC(=O)NCc2cccc([N+](=O)[O-])c2C)c(C)cc1Br 494439881 MDYPVYPPSMYYAI-UHFFFAOYSA-N 436.262 4.082 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1ccccc1Nc1c(F)cccc1F 495305790 XIOCUUMPVBWXPY-UHFFFAOYSA-N 440.406 4.214 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc3nc(C(F)F)sc3c2)cc1[N+](=O)[O-] 498986443 WELHWXQNXDWICW-SNVBAGLBSA-N 434.424 4.266 5 20 IIBD Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 499018561 GFYMIAQPXRHALN-UHFFFAOYSA-N 434.431 4.108 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1cc(-c2ccoc2)nn1-c1ccccc1 499285257 NPUKYFXUNAJPMT-UHFFFAOYSA-N 438.465 4.025 5 20 IIBD COc1cc(OCC(=O)N[C@H](C)[C@@H](C)c2ccccc2C(F)(F)F)ccc1[N+](=O)[O-] 500145635 SRFXYGGOXWWNAM-CHWSQXEVSA-N 426.391 4.309 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCOC[C@@H]1c1c(C)nn(-c2ccccc2F)c1C 501172835 FPLMWZWPBZKXOR-OAQYLSRUSA-N 438.459 4.059 5 20 IIBD Cc1cc(CN(C)C(=O)c2c([N+](=O)[O-])cnn2C)cc(C)c1OCc1ccccc1Cl 501722493 ILHZSLLDPJYHNN-UHFFFAOYSA-N 442.903 4.450 5 20 IIBD CC(C)(C)c1ccc(C(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)cc1[N+](=O)[O-] 501890790 CBSOYCMZALBHMK-UHFFFAOYSA-N 430.549 4.129 5 20 IIBD Cc1csc([C@H]2CCCCN2CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)n1 505282047 VIVWOTYSUHYYRS-OAHLLOKOSA-N 439.335 4.288 5 20 IIBD O=C(CC1CCCC1)NCCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 506648377 VFUMPQZDSVCQAD-UHFFFAOYSA-N 427.526 4.172 5 20 IIBD O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 507305932 WKNYQIYAWLHPOU-UHFFFAOYSA-N 425.268 4.429 5 20 IIBD CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)C1 508814910 YTOKIGKDLJWBTC-FUHWJXTLSA-N 437.496 4.049 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c([N+](=O)[O-])c1 509638363 LKZLCFMFQMRMBG-INIZCTEOSA-N 439.493 4.195 5 20 IIBD C[C@H](NC(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 510142639 AFXQCWQINCVJQY-INIZCTEOSA-N 434.452 4.495 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2OC[C@H]2CCCCO2)cc1OC 511374998 CHDJJVXOWLBLGX-OAHLLOKOSA-N 430.457 4.202 5 20 IIBD COc1ccc(C)cc1C1(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CCOCC1 511548462 YXSZVLSNWQPKDB-QGZVFWFLSA-N 444.553 4.257 5 20 IIBD COC(=O)c1c(F)cc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1F 512555680 RIFANQVNDRLTPP-UHFFFAOYSA-N 442.374 4.491 5 20 IIBD CCOc1cc(NC(=O)NC[C@H](c2ccco2)N2CCCCC2)c([N+](=O)[O-])cc1OCC 514504221 WAPMTWDRYKLDEX-GOSISDBHSA-N 446.504 4.334 5 20 IIBD CCCOc1cc(NC(=O)N2CCN(Cc3ccco3)CC2)c([N+](=O)[O-])cc1OCCC 515375346 PYUVAFVMNLIVIC-UHFFFAOYSA-N 446.504 4.115 5 20 IIBD Cc1cn2nc(N3CCN(Cc4ccc(-c5ccccc5[N+](=O)[O-])s4)CC3)sc2n1 515481029 WFJTUAPWQAZBDB-UHFFFAOYSA-N 440.554 4.058 5 20 IIBD O=C(NC1CCCCC1)c1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1Cl 515693016 NRMDNFCKKJLRAS-UHFFFAOYSA-N 437.905 4.112 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1 516302328 FSOALXYUQFDUIQ-GOSISDBHSA-N 429.885 4.462 5 20 IIBD CN1CCN(C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c2ccccc2)CC1 517551312 DIVLDNHTXRSIGI-HSZRJFAPSA-N 436.581 4.402 5 20 IIBD O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 520776925 DHLFYTWSFLQBJN-NRFANRHFSA-N 439.903 4.001 5 20 IIBD CCc1cc(N2CCC(C(=O)NC3CCCCC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 520979257 KFMKGFZEBCGRIB-UHFFFAOYSA-N 437.544 4.280 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 521008123 SVNKRJXCWSESGT-UHFFFAOYSA-N 437.836 4.162 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 522238131 KYMMTJQBTCQSJE-UHFFFAOYSA-N 431.514 4.164 5 20 IIBD O=C(Nc1ccc(-c2nn[nH]n2)cc1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 522251717 DGXNXBHCVLPZEK-UHFFFAOYSA-N 436.815 4.473 5 20 IIBD O=C(c1cc(N[C@H]2CCN(c3ccccc3OC(F)F)C2)ccc1[N+](=O)[O-])N1CCCC1 522646510 UFUDBZLACNOVSN-INIZCTEOSA-N 446.454 4.123 5 20 IIBD O=C(Nc1nnc(Cc2ccc(F)cc2)s1)c1ccc([N+](=O)[O-])cc1Br 524254174 RVJFSEBERVJJMY-UHFFFAOYSA-N 437.250 4.191 5 20 IIBD O=C(Nc1cc(Br)cc(C(F)(F)F)c1)c1cc([N+](=O)[O-])cc2c1OCCO2 525285399 GEJSWALBQIVNHY-UHFFFAOYSA-N 447.163 4.400 5 20 IIBD Cc1ccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1OCC1CCOCC1 525468014 GSDILQJVSABWDM-UHFFFAOYSA-N 436.468 4.147 5 20 IIBD CN1CC[C@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@H]1c1ccc(Cl)c(F)c1 534975719 ITTXWZAHHGNOHX-SPLOXXLWSA-N 432.883 4.377 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc(Cc2ccc(F)cc2)s1 535010995 DBFSMUZCTRWPOT-UHFFFAOYSA-N 448.501 4.167 5 20 IIBD O=C1NCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H]1c1ccc(C(F)(F)F)cc1 536279974 GRTUTGOSWJUXLW-QGZVFWFLSA-N 449.410 4.142 5 20 IIBD O=C(CSc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1O)NCC1CCCCC1 536312976 AQUZSFLMZFZIIB-UHFFFAOYSA-N 443.525 4.341 5 20 IIBD O=C(NCc1ccnc(N2CCCCCC2)c1)c1cc(Br)cc([N+](=O)[O-])c1 537916487 VXEGCULKVOKZNR-UHFFFAOYSA-N 433.306 4.063 5 20 IIBD C[C@H](N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](OC1CCOCC1)c1ccccc1 537953175 JIYHKTPOGGUWJR-NXMSCROESA-N 441.528 4.227 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 538870773 YDKBNERMQSTIIR-UHFFFAOYSA-N 447.856 4.007 5 20 IIBD C[C@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 539492686 HDDCRQCBTPBYRQ-YUNKPMOVSA-N 431.876 4.087 5 20 IIBD CCOc1ccc([C@@H](C)Nc2cccc(CS(=O)(=O)N[C@@H](C)CC)c2)cc1[N+](=O)[O-] 540827477 XIVZXGBMFCVMFX-JKSUJKDBSA-N 435.546 4.385 5 20 IIBD Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 540899429 KTBSDEHLRKOMOD-UHFFFAOYSA-N 430.867 4.091 5 20 IIBD CO[C@@H](C)c1nc(CN2CCCN(c3cc(C)nc4ccc([N+](=O)[O-])cc34)CC2)cs1 541190861 QLJZJJISKGWBJI-INIZCTEOSA-N 441.557 4.328 5 20 IIBD CC(C)[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccncc2)no1 541288271 HKMQAKDWXDTAAW-KRWDZBQOSA-N 447.904 4.299 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 542713240 SZYCGOUZGKDVCW-AWEZNQCLSA-N 426.370 4.149 5 20 IIBD Cc1c([C@H](C)N[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cnn1C 543519939 XLZCWCKPLFPSIP-RNODOKPDSA-N 427.892 4.321 5 20 IIBD COc1ccc(CSCc2nc(-c3ccccc3NC(=O)C3CC3)no2)cc1[N+](=O)[O-] 545588506 NITGPZJOHWHQIJ-UHFFFAOYSA-N 440.481 4.435 5 20 IIBD Cc1nc(COc2cccc(/C=C/c3nc(Cc4ccc([N+](=O)[O-])cn4)no3)c2)cs1 545786551 XEAZBLYWUVHDAN-VMPITWQZSA-N 435.465 4.478 5 20 IIBD CC1CCN(c2ccc(-c3nc(-c4ccnc(-n5cccn5)c4)no3)cc2[N+](=O)[O-])CC1 546317255 VMTWUPGNSAUHDL-UHFFFAOYSA-N 431.456 4.129 5 20 IIBD CC[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1cc(F)cc(Br)c1 548601757 WZWLYXWEMQOBNC-CYBMUJFWSA-N 425.210 4.106 5 20 IIBD COc1cc(OC)c(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1Br 549002153 OIASXJHIZQWFSS-UHFFFAOYSA-N 438.278 4.081 5 20 IIBD Cc1ncc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cccs2)s1 549954332 DODLSJUPXJHXMK-UHFFFAOYSA-N 426.527 4.364 5 20 IIBD Cn1ccnc1[C@H](NCc1cccc(NC(=O)C2CCCC2)c1)c1ccc([N+](=O)[O-])cc1 552234893 WRPGXXWGMAXBAL-JOCHJYFZSA-N 433.512 4.336 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N(C(C)=O)[C@@H]2C[C@H]2C)cc1 554659712 HJQPUOAGTHCHAU-JLTOFOAXSA-N 443.525 4.347 5 20 IIBD C[C@@H](NC1(Cc2ccc(F)cc2)CCOCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 555571956 DLZGTITVNKHRON-OAHLLOKOSA-N 426.448 4.226 5 20 IIBD CC(C)(NC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)c1ccccc1[N+](=O)[O-] 557974892 NXTGMDPZRUOVLQ-CYBMUJFWSA-N 436.295 4.306 5 20 IIBD O=C(CN1C[C@H]2CCCCN2c2ccccc21)Nc1ccc([N+](=O)[O-])cc1Br 559418932 DWJLWLGLFHWRBQ-OAHLLOKOSA-N 445.317 4.175 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](NCc1ccccc1)c1ccco1 561083681 GIWBLCMCCHTAFE-UZLBHIALSA-N 425.510 4.316 5 20 IIBD Cc1ccc(Cl)cc1N1CC[C@H](CN[C@H](c2cccc([N+](=O)[O-])c2)c2nccn2C)C1 563691266 CVPUDZXCZCFZLJ-VGOFRKELSA-N 439.947 4.496 5 20 IIBD CC(C)[C@H](NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(Cl)cc1F 565736340 GSRBPYFDFKGQBD-FQEVSTJZSA-N 447.894 4.392 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNCc3ccncc3OC[C@H]3CCOC3)s2)cc1 567078719 LXYWAGSONYGXMY-INIZCTEOSA-N 425.510 4.423 5 20 IIBD O=C(Nc1ccc2c(Cl)cccc2n1)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 567259049 FGVQXJCLMWPBHF-UHFFFAOYSA-N 426.845 4.318 5 20 IIBD CCOc1ccccc1Nc1nnc(Sc2ncnc3sc([N+](=O)[O-])cc23)s1 567398343 UPWVKUMTLNWDLV-UHFFFAOYSA-N 432.512 4.745 5 20 IIBD O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCOC2(CCOCC2)CC1 568833138 BPTRFZJWMHMBPM-UHFFFAOYSA-N 428.510 4.158 5 20 IIBD C/C(=C/c1ccccc1OC(F)F)CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 574612586 VSIFRHULKQXZAU-PEZBUJJGSA-N 431.439 4.058 5 20 IIBD O=C(Nc1cccc(CN2CCC(CO)CC2)c1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 581325809 UZLKTLMXHOXNRL-UHFFFAOYSA-N 437.418 4.070 5 20 IIBD CCOc1ccc(NC(=O)CN[C@H](C)c2ccc(F)c(Br)c2)c([N+](=O)[O-])c1 590194065 YWQFDZNNUKNVMM-LLVKDONJSA-N 440.269 4.184 5 20 IIBD O=C(NC[C@H]1CCCN(CC(F)(F)F)C1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 590402098 RGRUFXYDAKTUDH-OAHLLOKOSA-N 437.418 4.391 5 20 IIBD CCOC(=O)c1c(NC(=O)CCNc2ccccc2[N+](=O)[O-])sc2c1CCSC2 591722243 SGOKHPVTXMXDHQ-UHFFFAOYSA-N 435.527 4.063 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])[C@@H]1CC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O 603585086 DPEFNTRXBPFDEG-MRXNPFEDSA-N 441.793 4.031 5 20 IIBD CN(C)S(=O)(=O)c1ccc(NCc2ccc(COc3ccccc3)cc2)c([N+](=O)[O-])c1 603855826 VBYMINPLAXBSNK-UHFFFAOYSA-N 441.509 4.036 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)c1C 603983381 OABLKLMLAGEERR-UHFFFAOYSA-N 431.514 4.029 5 20 IIBD CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)cc2)cc1 604040643 NAQSCUAGFDFEFM-OAHLLOKOSA-N 439.493 4.260 5 20 IIBD CCn1c(CCNC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)nc2ccccc21 604482746 GCRUXMGDFKTEAZ-QZTJIDSGSA-N 449.555 4.419 5 20 IIBD COc1ccc(C(C)(C)CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)cc1OC 609269008 HSVOKOVOEQBLPM-UHFFFAOYSA-N 427.501 4.238 5 20 IIBD COC(=O)c1ccc2nc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)oc2c1 609751982 MKISYLUNUPDKGE-SECBINFHSA-N 435.845 4.295 5 20 IIBD CC[C@H](C(=O)N1CCC(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1)c1ccccc1 609874817 HCPHNMUDGWYMKZ-FQEVSTJZSA-N 429.904 4.163 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1CCO[C@@H](C(F)(F)F)C1 610079297 OLFORQDLAVIAIN-SJORKVTESA-N 443.809 4.191 5 20 IIBD C[C@@H](OC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C(=O)N[C@H](C)c1ccc2ccccc2c1 725936728 HYCYWQYMHJEZKY-CHWSQXEVSA-N 428.391 4.449 5 20 IIBD CC(C)(Cc1ccc(Br)cc1)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 727340957 BEUYLWLPNZEYAA-UHFFFAOYSA-N 425.254 4.013 5 20 IIBD O=C(NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 727957459 OFUUAAPEGWRCHE-UWVGGRQHSA-N 449.699 4.164 5 20 IIBD CCOc1ccc([C@@H]2CCCN2C(=O)COC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 730644346 BLQXPPQMZSGINU-KRWDZBQOSA-N 432.860 4.167 5 20 IIBD COc1ccccc1CC(C)(C)C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 733052973 AZKPYHKKYCEFHP-SFHVURJKSA-N 440.496 4.020 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1COC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 733473565 DKUOIAMNFOZCGD-HNNXBMFYSA-N 433.486 4.275 5 20 IIBD CC(C)(C)OC(=O)N1CCc2c(cccc2NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 734109948 JKZOMIYROBZZFS-UHFFFAOYSA-N 445.447 4.045 5 20 IIBD O=C(NCC1(c2cccc(Br)c2)CC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 734442183 ABDAMKIZWCGUSL-UHFFFAOYSA-N 444.329 4.419 5 20 IIBD Cc1ccc(N(Cc2ccco2)C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1C 735273556 WBLMVZVTEAUPEK-UHFFFAOYSA-N 441.871 4.421 5 20 IIBD Cc1nc(Cc2ccccc2)sc1[C@@H](C)OC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 739592980 YHDXQQHZAHJCHM-OAHLLOKOSA-N 449.492 4.449 5 20 IIBD COc1ccc([C@@H]2[C@@H](COC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)CCC(=O)N2C)cc1 740561507 GTQJNUBRDFMJHT-VGOFRKELSA-N 440.496 4.034 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)C[C@@H](Cc2ccccc2)c2ccccc2)ccc1[N+](=O)[O-] 744152378 OICNRNPRLUSTFJ-HXUWFJFHSA-N 438.505 4.125 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2cnn(-c3ccccc3)c2C2CC2)cccc1[N+](=O)[O-] 744672797 BPSRYYUTDWAYJH-HNNXBMFYSA-N 434.452 4.150 5 20 IIBD CC(C)c1nn(C)c2sc(C(=O)OCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc12 745535219 IRSXOSUUNSWXJT-UHFFFAOYSA-N 436.877 4.115 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(OCc2ccc(C)cc2)c1 746246377 KMHMYUBOTWIJMF-FQEVSTJZSA-N 437.500 4.353 5 20 IIBD CCc1ccc(-c2nc(COC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)cs2)cc1 747683818 AZWDSVQLRTVNPF-UHFFFAOYSA-N 435.465 4.218 5 20 IIBD O=Cc1ccc([N+](=O)[O-])c(OCC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)c1 748150747 KZZAIWXQDZLEOT-UHFFFAOYSA-N 447.163 4.206 5 20 IIBD O=C1CCc2cc(OCC(=O)Oc3ccc(Cc4ccccc4)cc3[N+](=O)[O-])ccc2N1 749063007 AVPMFSMDBJDPMQ-UHFFFAOYSA-N 432.432 4.055 5 20 IIBD CC(C)(C)OC(=O)Nc1cc2c(cc1NC(=O)CCOc1ccccc1[N+](=O)[O-])OCO2 750085315 GKJBQNAVPSDPCQ-UHFFFAOYSA-N 445.428 4.078 5 20 IIBD O=C(NCCCOc1ccccc1F)c1cc(Br)cc([N+](=O)[O-])c1Cl 750828706 CAFRKGMRGGKQCU-UHFFFAOYSA-N 431.645 4.349 5 20 IIBD COc1ccc(OC(=O)C2(c3ccc(Br)cc3)CCOCC2)c([N+](=O)[O-])c1 751057257 YVEKRKSXLGRVEY-UHFFFAOYSA-N 436.258 4.020 5 20 IIBD CCCc1c(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cnn1C1CCCC1 751849014 MKRBNTDVGYDSLI-UHFFFAOYSA-N 434.880 4.308 5 20 IIBD COC(=O)COc1c(C)cc(C(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)cc1C 752299251 WZFDAWMFFJKZLV-UHFFFAOYSA-N 446.887 4.474 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)[C@@H]1CC(=O)N(c2ccccc2Br)C1 752974885 DKGZPEKCINBTBP-SNVBAGLBSA-N 438.665 4.002 5 20 IIBD CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1 753431227 TYPBGSRKLHTEMA-GFCCVEGCSA-N 449.257 4.052 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)Nc1ccc(OC(F)(F)F)cc1 755002610 XGFOATVJTLYQDL-UHFFFAOYSA-N 436.701 4.081 5 20 IIBD Cc1ccc(OC(=O)CCC[S@@](=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 755251413 XPSAWOJXYFIYBL-RUZDIDTESA-N 426.288 4.159 5 20 IIBD CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 755369287 DKEZFONYYREBJO-KRWDZBQOSA-N 430.258 4.260 5 20 IIBD CC1(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)CC2)OCCO1 755476296 WZSDYFKEWAWZAX-UHFFFAOYSA-N 434.558 4.492 5 20 IIBD C[C@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1nnc(-c2cccs2)o1 756524217 BOQNJGZRIHYYJZ-VIFPVBQESA-N 438.259 4.316 5 20 IIBD C[C@@H](CONC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)NC(=O)OC(C)(C)C 756606770 BHOGXMMVTRJRAT-AWEZNQCLSA-N 446.460 4.353 5 20 IIBD CCOC(=O)c1sc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)nc1C(C)C 758022696 NOSWXGNSIUDUSR-UHFFFAOYSA-N 442.291 4.366 5 20 IIBD CC(C)(C)OC(=O)NCCc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)cc1 758355466 VVCFDXKOLFBNGH-UHFFFAOYSA-N 432.452 4.123 5 20 IIBD COc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])cc1Cl 758444077 BMSGOTKMQAJIML-SNVBAGLBSA-N 439.873 4.416 5 20 IIBD O=C(/C=C\c1ccc(Cl)nc1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 758981667 HVZRXCTWOOGWGN-KXFIGUGUSA-N 440.809 4.024 5 20 IIBD Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCCn1cc([N+](=O)[O-])ccc1=O 761348301 DGLPSHIFYYMHOI-UHFFFAOYSA-N 429.432 4.137 5 20 IIBD C[C@@H](Sc1nc2ccccc2s1)C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F 762899818 HGVXSNMMIZRCNX-SNVBAGLBSA-N 435.458 4.006 5 20 IIBD CCOc1ccc([C@@H]2CCCN2C(=O)COC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cc1 763719017 FMMIMPXGRWMPMR-SFHVURJKSA-N 432.860 4.167 5 20 IIBD CCOC(=O)Nc1ccc(Br)cc1NC(=O)c1cc(F)ccc1[N+](=O)[O-] 764539151 UUZWTICKVOIFMF-UHFFFAOYSA-N 426.198 4.317 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)Cn1nc(COc2ccccc2)n(C)c1=S 764866069 KDQVANDOJULHQI-UHFFFAOYSA-N 433.921 4.181 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCO[C@H](c2ccccc2Br)C1 765748275 KJXPHXKLGQSXOQ-SFHVURJKSA-N 442.269 4.119 5 20 IIBD O=C(OCc1ccc(-c2ccccc2)cc1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 766358164 CJNPWYLPESTEGK-UHFFFAOYSA-N 430.416 4.272 5 20 IIBD C[C@H](OC(=O)[C@H](C)c1ccc(Br)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 767002986 ZOWYVWFALAYDHA-MNOVXSKESA-N 439.237 4.170 5 20 IIBD COC(=O)N1CCC(NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC1 767250897 PMTFSXBGEADDMT-UHFFFAOYSA-N 449.916 4.360 5 20 IIBD O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 770272961 XQBSPWYFAOGZEV-UHFFFAOYSA-N 445.260 4.286 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(CS(=O)(=O)Cc2nn(-c3ccc(F)cc3)c3c2CCC3)c1 771592601 SMQHHKDEWOXEDV-UHFFFAOYSA-N 449.891 4.177 5 20 IIBD Cc1cc(=O)c(C(=O)OCc2cccc(Cl)c2Cl)nn1-c1ccccc1[N+](=O)[O-] 773355409 DSKAIYZSDIZRRP-UHFFFAOYSA-N 434.235 4.113 5 20 IIBD CC(=O)Nc1ccc(-c2csc(NC(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)n2)cc1 777878762 ZRUJZJFENUASPZ-UHFFFAOYSA-N 432.408 4.407 5 20 IIBD Cc1cc(C(=O)CCC(=O)OC[C@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])c(C)s1 783380003 XQSJIHMFXYUZJM-MRXNPFEDSA-N 444.509 4.084 5 20 IIBD C[C@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@H](C)c1cc2ccccc2o1 785949246 OHKPQCULZDRHFL-OLZOCXBDSA-N 430.844 4.346 5 20 IIBD O=C(CN1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1)Nc1ccccc1[N+](=O)[O-] 785973988 LEKVGXUNZYWHHH-UHFFFAOYSA-N 431.492 4.184 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)OCc1ccc(OCC(F)(F)F)cc1 786786657 KMJSFPHSHRFUGU-UHFFFAOYSA-N 436.342 4.206 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)NC2(c3cccc(C(F)(F)F)c3)CCOCC2)c1F 791036406 XPTZQLNBPLNBKR-UHFFFAOYSA-N 426.366 4.497 5 20 IIBD O=C(c1ccc(CN2CCCC2)cc1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791247579 IVOOMMCEUBTJLR-UHFFFAOYSA-N 444.329 4.152 5 20 IIBD COc1c(C(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)cccc1[N+](=O)[O-] 796690713 VPLKXACCRCTRDU-UHFFFAOYSA-N 449.379 4.210 5 20 IIBD COc1cc(N2CCC(OC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])CC2)ccc1[N+](=O)[O-] 796908556 MSMHPAVSKKHUIS-UHFFFAOYSA-N 443.456 4.001 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cc(S(=O)(=O)C2CCCC2)ccc1F 797457296 ZZIACVJVLCVBSK-UHFFFAOYSA-N 448.516 4.203 5 20 IIBD O=C(COC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)Nc1cc(C(F)(F)F)ccc1Cl 798130632 XANGDTSJWZGREP-BAQGIRSFSA-N 428.750 4.462 5 20 IIBD CSc1ccc([C@H](C)OC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cc1 798664365 AZXWJTKYOKKRKW-AWEZNQCLSA-N 425.466 4.089 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)C(C)(C)c1ccccc1Br 798730896 IMTYFOLSUPJMRS-UHFFFAOYSA-N 435.274 4.125 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)CC1 799053255 OVMFCSJJPNFFBS-KMGZYFLFSA-N 429.561 4.233 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 800634718 DUWVMJNLKLMLRP-MQMHXKEQSA-N 439.365 4.062 5 20 IIBD C[C@]1(c2ccc(Cl)s2)NC(=O)N(Cc2ccc(Br)c([N+](=O)[O-])c2)C1=O 800834495 ZFESRINACWNGMS-OAHLLOKOSA-N 444.694 4.039 5 20 IIBD C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](c2nc(CCNc3ccccc3[N+](=O)[O-])no2)C1 809387854 FVPUDEMTFYZQEQ-RHSMWYFYSA-N 431.493 4.341 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1noc([C@@H]2Cc3cc(Br)ccc3O2)n1 809389040 NVYOSFROOXVQNE-INIZCTEOSA-N 431.246 4.071 5 20 IIBD COC(=O)c1cc(-c2nc(-c3c(Cl)nc4cc(Cl)ccn34)no2)cc([N+](=O)[O-])c1 809526062 LTDVQHDVSBOTDE-UHFFFAOYSA-N 434.195 4.053 5 20 IIBD CC(C)n1cc2c(n1)[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)CCC2 809831878 CUNMOIJUTVCDQZ-ZDUSSCGKSA-N 433.317 4.035 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(N(C)Cc2ccccc2)cc1 810392928 HPPPNXVLQIURRO-UHFFFAOYSA-N 432.480 4.371 5 20 IIBD CN(C(=O)OC(C)(C)C)c1ccc(C(=O)O[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)s1 810699015 MYUYEBDWHSBSJT-MRXNPFEDSA-N 447.513 4.463 5 20 IIBD COc1ccc([C@@H](O)C2CCN(c3cc(C)nc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)cc1 812480320 MUWHJWXHMKXGNW-HSZRJFAPSA-N 434.496 4.319 5 20 IIBD CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](COC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 813158611 VTNDARDCKSRGOS-CYBMUJFWSA-N 446.472 4.122 5 20 IIBD O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 815004731 LRTQPLSNEWDORD-UHFFFAOYSA-N 437.880 4.437 5 20 IIBD Cc1ccc(NC(=O)NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c(C)c1 815405714 GSXVDFMTMDMHCM-CYBMUJFWSA-N 433.848 4.067 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC[C@H]21 816999205 VLVOQYQKBWVHGR-IUODEOHRSA-N 443.422 4.085 5 20 IIBD O=C1CCCCN1c1cccc(NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)c1 821145211 SVVDPPFIQIHJHV-UHFFFAOYSA-N 444.296 4.219 5 20 IIBD CCN(C(=O)c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1)C1CCCCC1 844138763 UMRCRFVGASMZFN-UHFFFAOYSA-N 446.525 4.466 5 20 IIBD CCOC(=O)c1cc([N+](=O)[O-])c(N2CCOc3cccc(F)c3C2)cc1Br 864017188 XQXDBSWBHJIVQA-UHFFFAOYSA-N 439.237 4.072 5 20 IIBD CCOCCOc1ccc(Br)cc1NCc1cc([N+](=O)[O-])ccc1OC 864022925 VWTBRTHQDRKFOC-UHFFFAOYSA-N 425.279 4.393 5 20 IIBD O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 912769417 QANRXOLODHIKFX-UHFFFAOYSA-N 442.686 4.153 5 20 IIBD C[C@@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(OC(F)(F)F)cc1 917218669 OSURQFXFQMMABK-SECBINFHSA-N 432.738 4.331 5 20 IIBD CN(Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)c1)C(=O)OC(C)(C)C 918108217 AYZJEBCKSZBIAN-UHFFFAOYSA-N 428.489 4.280 5 20 IIBD CCOc1ccccc1OC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] 919977419 WSMRJSTZEDDVFI-UHFFFAOYSA-N 430.438 4.257 5 20 IIBD Cc1ccc(C(C)C)c(OC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)c1 920107197 LIDYUBAYJKTMKR-KRWDZBQOSA-N 446.525 4.033 5 20 IIBD Cc1ccc(-n2c(SCCOc3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)nc1 921263669 BYGRFECNMONSAX-UHFFFAOYSA-N 434.477 4.168 5 20 IIBD C[C@@H](OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1nc2ccccc2n1C(F)F 921275638 BLCNAKYITXUVQR-GFCCVEGCSA-N 427.367 4.443 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@@H](c2ccc(Cl)s2)C1 1116333657 QJTGIRCECSQJPM-QMTHXVAHSA-N 430.313 4.364 5 20 IIBD O=C(CSc1cnc2ccccc2n1)OCc1ccc([N+](=O)[O-])cc1Br 1320367565 SYUAQQTZSWUSNU-UHFFFAOYSA-N 434.271 4.136 5 20 IIBD O=C1CCCN1CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Br)c2ccccc21 1324150645 LDYWAJPLKYOQEP-HNNXBMFYSA-N 444.329 4.474 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1c1cccc(Cl)c1 1325967163 BMFVEKLMPCHYCQ-LJQANCHMSA-N 427.892 4.495 5 20 IIBD O=C(N[C@@H]1CN2CCC1CC2)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 1353753049 BCYCBQALBAVDSM-MRXNPFEDSA-N 440.550 4.180 5 20 IIBD COC(=O)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)c1cccc(Cl)c1 1355034393 MBRRVUZUAWXTSF-HNNXBMFYSA-N 441.665 4.045 5 20 IIBD CCCC(=O)Nc1ccc(C2(NC(=O)c3cc(OC)c(OC)c([N+](=O)[O-])c3)CCC2)cc1 1787698686 XKSOJYXJGFYCED-UHFFFAOYSA-N 441.484 4.160 5 20 IIBD COc1cscc1C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1 1788829570 APSLLDLJUGODAB-UHFFFAOYSA-N 440.481 4.055 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C2(NC(=O)/C=C/C3CC3)CCC2)cc1 1790792001 PTNRRBXWEIFALL-AWNIVKPZSA-N 448.523 4.375 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCCC1)c1cc2cc([N+](=O)[O-])ccc2s1 1795407822 WLSSPUUMXDWMGZ-BJWYYQGGSA-N 427.526 4.252 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC2CCC2)CC1 1830728930 HEYCVGAONNMJKH-OAQYLSRUSA-N 445.535 4.466 5 20 IIBD O=C(CC1CCC1)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 1831292656 CZCXHXJPAWIICO-JOCHJYFZSA-N 445.535 4.086 5 20 IIBD CCCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccncc1 9813524 HHNFYOODIGEJEK-UHFFFAOYSA-N 432.893 4.043 5 20 IIBD Cc1ccc(OCC(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c(C)c1 10091019 ONGJWKCNJAHSFE-CYBMUJFWSA-N 440.374 4.180 5 20 IIBD CC(C)(Oc1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 11481914 VSPGTMKDGBNLOL-UHFFFAOYSA-N 427.240 4.241 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)ccc1F 15411229 QALOIARZJBXYOQ-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(C3SCCS3)cc2)c([N+](=O)[O-])c1 16833156 YYVWWWRCFLTFRX-GFCCVEGCSA-N 448.522 4.266 5 20 IIBD COc1ccccc1Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 18238818 BFCLDNPPGYALQM-UHFFFAOYSA-N 449.463 4.485 5 20 IIBD O=C(Nc1cccc2cnccc12)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 21219496 SEAGELCPWZDJIX-UHFFFAOYSA-N 448.460 4.196 5 20 IIBD CCCn1c(SCCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1-c1ccncc1 26344013 BPTGBUSMLRGUTC-UHFFFAOYSA-N 426.502 4.088 5 20 IIBD C[C@@H](Cc1cccs1)NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 28411328 CMIYEQUDRQOWQL-ZDUSSCGKSA-N 442.463 4.138 5 20 IIBD Cc1nc(-c2ccc([C@@H](C)NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)cc2)cs1 29103860 VDQADRMUFKAEKY-CYBMUJFWSA-N 434.481 4.098 5 20 IIBD O=C([C@@H](Sc1ccccc1)c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 32005415 FXFRSAJPOJTJFH-QFIPXVFZSA-N 434.521 4.172 5 20 IIBD C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 59812571 GRIZNBXJFAMGIY-HNNXBMFYSA-N 437.427 4.242 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 195674251 GCLIFESNDKUPAS-ICSRJNTNSA-N 438.311 4.129 5 20 IIBD C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1nnc2n1CCC2 237570140 DZDCUOYQKZNEFU-NSHDSACASA-N 432.278 4.006 5 20 IIBD O=C1[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)CCCN1c1ccccc1Cl 301509230 CPITWTPDCHWZDM-ZDUSSCGKSA-N 425.670 4.013 5 20 IIBD CN(C)CC1CCN(c2ccc(Nc3ncc([N+](=O)[O-])cc3Br)cc2)CC1 301561197 UKTZHRGKTXWHHU-UHFFFAOYSA-N 434.338 4.274 5 20 IIBD O=C(c1cccnc1)N1CCc2cc(Nc3ncc(Br)cc3[N+](=O)[O-])ccc21 301631539 BTDVMUWMLJQLJQ-UHFFFAOYSA-N 440.257 4.094 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 409908507 PDSBPRPOCWCDJW-KDOFPFPSSA-N 427.259 4.477 5 20 IIBD CCOC(=O)c1cc(C(=O)N[C@H](C)c2nc(-c3ccccc3)cs2)cc([N+](=O)[O-])c1 410292569 RQKMAQRHZVXNGQ-CYBMUJFWSA-N 425.466 4.386 5 20 IIBD CCOC(=O)c1nn(-c2ccccc2)cc1CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 426005491 XWQKCTNUBUTQRN-UHFFFAOYSA-N 448.401 4.266 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 426282266 RLBBTTHKQVWZFM-QGZVFWFLSA-N 445.344 4.175 5 20 IIBD C[C@@H]1CCCCN1Cc1ccccc1CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 427908704 ODVTYGIZYWFYSW-GOSISDBHSA-N 448.523 4.213 5 20 IIBD COc1cc(OC)c(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1Br 429619215 GWCJRUMYOMLOAS-UHFFFAOYSA-N 438.278 4.431 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3cccc4ccc(C)nc34)CC2)ccc1[N+](=O)[O-] 432067852 CHSVSGAWCIEHFK-UHFFFAOYSA-N 435.484 4.204 5 20 IIBD C[C@@H](Oc1ccc(F)cc1Br)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437125520 PTGSTPKEXDLJNR-GFCCVEGCSA-N 437.265 4.455 5 20 IIBD CCCS(=O)(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 437246922 CDHXBROURACTMP-UHFFFAOYSA-N 431.392 4.018 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCc1nc(-c2cccc(Cl)c2)no1 439881893 XWBWGSUQSWKHHQ-UHFFFAOYSA-N 431.836 4.061 5 20 IIBD CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H](c1cccc(F)c1)c1cnn(C)c1 443867838 LSUJVYVXZRVINS-GOSISDBHSA-N 436.365 4.348 5 20 IIBD Cc1ccc(F)c(-c2cc(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)n[nH]2)c1 444782466 RCGSEFXWTBRSDF-UHFFFAOYSA-N 448.404 5.049 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(CC(=O)NCc2cccc(Cl)c2)no1 445843402 XRQUACVJIPZHDN-LBPRGKRZSA-N 432.889 4.343 5 20 IIBD COc1ccc(NC(=O)C(=O)N(Cc2ccc(F)cc2)C2CCCCC2)cc1[N+](=O)[O-] 446550283 XXVCSYXKWSYABI-UHFFFAOYSA-N 429.448 4.043 5 20 IIBD C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)c1cc2ccccc2o1 446967266 RWOOJBSXLOATLR-JTQLQIEISA-N 425.260 4.143 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NC[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 447682421 YMWFXUWSNDHYSC-MLGOLLRUSA-N 435.324 4.361 5 20 IIBD CCOC(=O)c1csc(N(C(=O)c2cc(F)cc([N+](=O)[O-])c2)c2ccc(OC)cc2)n1 460112978 IVIMWKOEUIILMK-UHFFFAOYSA-N 445.428 4.354 5 20 IIBD CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 460448861 NWQZQNBEEBHWAC-GOSISDBHSA-N 425.485 4.071 5 20 IIBD CCS(=O)(=O)c1cccc(CC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1 461030286 WJTONENWXPEUCO-UHFFFAOYSA-N 440.477 4.362 5 20 IIBD Cc1cc(C)c2c(c1)CN(c1nnc(-c3cccc([N+](=O)[O-])c3)n1C[C@H]1CCOC1)CC2 461643425 YVZBJYSCNWHMRG-GOSISDBHSA-N 433.512 4.069 5 20 IIBD C[C@H]1CCO[C@H]1c1nnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1C[C@H]1CCCCO1 461846813 XCSZAXSWVTWSAA-ZLGUVYLKSA-N 441.532 4.022 5 20 IIBD CCOc1cc(NC(=O)c2ccnc(N3CCC[C@H](C)C3)c2)c([N+](=O)[O-])cc1OCC 463297543 MZYKXUPNJYHFAO-HNNXBMFYSA-N 428.489 4.276 5 20 IIBD CCc1noc(-c2ccc(CCNC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)n1 463482506 UENQWEXRJQZDLL-UHFFFAOYSA-N 434.374 4.199 5 20 IIBD O=C(NCCc1nc(C(F)(F)F)cs1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 464928610 YMMJKPDEOLGECO-UHFFFAOYSA-N 428.417 4.166 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)NC2(Cc3ccccc3)CCCCC2)cc1OC 466245716 BIDMQBKADNPCEJ-UHFFFAOYSA-N 442.512 4.304 5 20 IIBD O=C1C[C@]2(CCCN(C(=O)c3ccc([N+](=O)[O-])c(Sc4ccc(Cl)cc4)c3)C2)CN1 466869215 ZXHNHNWDHZKQQN-OAQYLSRUSA-N 445.928 4.142 5 20 IIBD CC(C)[C@@H](NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 472639247 NWPNWTIZDBRJHH-MRXNPFEDSA-N 427.354 4.205 5 20 IIBD Cn1cc(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)cc(Cl)c1=O 472930819 UPALXJHILNAPHB-UHFFFAOYSA-N 447.278 4.465 5 20 IIBD O=C([C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1CC=C(c2cccc(Cl)c2)CC1 477344870 CDCDOPFNXGSCBC-QGZVFWFLSA-N 445.928 4.230 5 20 IIBD CCn1c(SC[C@H](O)COc2ccccc2Cl)nnc1-c1ccc([N+](=O)[O-])cc1 480387516 VXTJGNREJRFUBW-OAHLLOKOSA-N 434.905 4.059 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cncc(Cl)c1Cl 480868558 WBIUTKCRMDZDNM-UHFFFAOYSA-N 430.269 4.204 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1CSc1nnc(-c2cnccn2)n1Cc1ccco1 481350850 RMVIVBAYRAWOBW-UHFFFAOYSA-N 428.861 4.230 5 20 IIBD COc1ccc2[nH]cc(C3=CCN(C(=O)c4ccn(-c5ccccc5[N+](=O)[O-])n4)CC3)c2c1 483153015 NBBRCWLUMNBEHL-UHFFFAOYSA-N 443.463 4.200 5 20 IIBD CN(CCN(C)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)CC(F)F 485009657 CZXLRFISYSMLLR-UHFFFAOYSA-N 427.835 4.309 5 20 IIBD COC(=O)c1cc(NC(=O)c2csc(Cc3ccc(F)cc3)n2)c(C)c([N+](=O)[O-])c1 485973838 CVBUXAPNJVWFFE-UHFFFAOYSA-N 429.429 4.129 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CSc2ccc(Br)cc21 486480347 RDSRUSKJFFLROZ-ZDUSSCGKSA-N 429.317 4.020 5 20 IIBD C[C@H](Cc1ccncc1)NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 487894692 XQXGQSWXJXJWQB-GOSISDBHSA-N 441.491 4.132 5 20 IIBD Cc1ccc([C@@H](C)N(C)S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c(C)c1 488946423 WFIRBMAYHSGKJT-CYBMUJFWSA-N 427.320 4.356 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCc3ccc(C(C)(F)F)cc3)cc2)c(C)c1[N+](=O)[O-] 490141143 ADOQXMWCYBLVMO-UHFFFAOYSA-N 428.439 4.498 5 20 IIBD COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1Br 490828835 SPEYURPDRQWQJG-MRXNPFEDSA-N 427.682 4.470 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1[N+](=O)[O-] 493237380 MTXRMEPPMMSLCT-OAHLLOKOSA-N 428.464 4.164 5 20 IIBD COc1cc(CNCc2sccc2Br)c([N+](=O)[O-])cc1OCC(F)F 494667392 SROFVJMDQWASLT-UHFFFAOYSA-N 437.262 4.361 5 20 IIBD CCCCOC1CCN([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 494922620 XWHSNERCCAPLOV-HNNXBMFYSA-N 432.546 4.326 5 20 IIBD CCN(Cc1ccc(OC)cc1OC)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 499124353 MRUKGVAFOIPVDH-UHFFFAOYSA-N 430.504 4.221 5 20 IIBD Cc1cccc(CN(C)C(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)c1 499189865 MXXIYDRVZXFBJO-UHFFFAOYSA-N 431.492 4.472 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ccc(Cl)cc1OCC(F)(F)F 499285292 UXQQEXMBZJZWRE-UHFFFAOYSA-N 438.811 4.174 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC(n4cc(Cl)cn4)CC3)cc2[N+](=O)[O-])C1 503164722 MIZQSQUMIFTQFJ-HZPDHXFCSA-N 445.951 4.404 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N(CCc3cccc(F)c3)C3CC3)cc2)c(C)c1[N+](=O)[O-] 505176269 IKUYPKYTZIITHP-UHFFFAOYSA-N 436.487 4.443 5 20 IIBD Cc1c(CSC(C)C)cccc1NC(=O)C(=O)N(C)CCc1ccccc1[N+](=O)[O-] 506742943 MLUURYXXVFMTGB-UHFFFAOYSA-N 429.542 4.184 5 20 IIBD CC(C)C(=O)NC1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 507147334 XYGOAFHTIVKVTR-UHFFFAOYSA-N 447.539 4.184 5 20 IIBD C[C@@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(F)c(Br)c1 507662579 YWKPWTKZMLNXHF-LLVKDONJSA-N 447.264 4.388 5 20 IIBD COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)NCc1ccccc1[N+](=O)[O-] 510180407 IUOFMSTWJSFUMB-KRWDZBQOSA-N 434.290 4.413 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NCC1CCC(F)(F)CC1 510788335 VSOAEBJQGNJELD-UHFFFAOYSA-N 438.212 4.063 5 20 IIBD CN(CCOc1ccc(OCc2ccccc2)cc1)C(=O)NCc1ccccc1[N+](=O)[O-] 512039630 FYCOKAVMGHGMHK-UHFFFAOYSA-N 435.480 4.394 5 20 IIBD COc1ccc(-c2ccc(CN[C@H]3CCO[C@@H]3c3ccnn3C(C)C)o2)c([N+](=O)[O-])c1 512359680 KYQPTUTZJMHJQK-AVRDEDQJSA-N 426.473 4.261 5 20 IIBD CN(c1ccccc1)c1ccc(CNc2cccc(CN3C(=O)CNC3=O)c2)cc1[N+](=O)[O-] 513030652 HNEWCPDWTLGJCC-UHFFFAOYSA-N 445.479 4.027 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)cc1[N+](=O)[O-] 513310790 RGOFVTCHXQOJKX-UHFFFAOYSA-N 447.856 4.091 5 20 IIBD CC(C)[C@@H](CN[C@@H](c1ccc([N+](=O)[O-])cc1)c1nccn1C)N1CCc2ccccc2C1 513666469 LVNFMNUIVOOHLK-RPWUZVMVSA-N 433.556 4.090 5 20 IIBD CN(c1ccccc1C(=O)Nc1ccccc1Cl)S(=O)(=O)c1cccc([N+](=O)[O-])c1 514644053 BAOKZJAPMKSOBE-UHFFFAOYSA-N 445.884 4.326 5 20 IIBD C[C@@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 516342146 RVLMKZUKUURJQW-CYBMUJFWSA-N 437.905 4.064 5 20 IIBD Cc1ccc(NC(=O)CCC[S@](=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 518357631 VJIMIPUCNUGDMO-VWLOTQADSA-N 425.304 4.192 5 20 IIBD CC[C@H](c1ccccc1)c1nnc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)s1 520729623 REMSTJOBDWKFRP-CQSZACIVSA-N 426.454 4.012 5 20 IIBD O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 522577483 ONIZGBGVLAWQFF-OAHLLOKOSA-N 441.875 4.116 5 20 IIBD O=C(NCc1cc2c(s1)CCCC2)c1ccc([N+](=O)[O-])cc1I 523379647 NEDZDRLAIKPLTJ-UHFFFAOYSA-N 442.278 4.070 5 20 IIBD NC(=O)c1ccc(SCC(=O)NC2(c3ccc(Cl)cc3)CCCC2)c([N+](=O)[O-])c1 523379867 MZQRQOIDMBCEGG-UHFFFAOYSA-N 433.917 4.025 5 20 IIBD CCCS(=O)(=O)Nc1cccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 523399693 LKQGEGOFAUFPPI-UHFFFAOYSA-N 446.510 4.122 5 20 IIBD Cc1cccc(COc2cccc(CC(=O)N3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)c2)c1 524578571 SRNXVTRKOCXFMK-NRFANRHFSA-N 446.507 4.133 5 20 IIBD CN(CCc1ccc(Br)cc1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 524671467 QBWSNSBVGXSYEB-UHFFFAOYSA-N 443.301 4.073 5 20 IIBD CC[C@H](C)[C@@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccc(Cl)cc1 524741436 CXSMDKJLNUXUFW-MGPUTAFESA-N 431.924 4.262 5 20 IIBD CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)NCCNc2ccccc2[N+](=O)[O-])c1 525525123 XAVFBGFEEIXPLU-UHFFFAOYSA-N 433.896 4.010 5 20 IIBD CSc1cccc([C@H](NC(=O)c2c([N+](=O)[O-])c(C)nn2C)c2ccc(F)c(F)c2)c1 525723115 YGEBOCPBDACYIA-KRWDZBQOSA-N 432.452 4.156 5 20 IIBD O=C(Nc1cnn(-c2ccccc2Br)c1)c1c[nH]c2cccc([N+](=O)[O-])c12 534260848 MZRDCKKDWHQEAV-UHFFFAOYSA-N 426.230 4.277 5 20 IIBD CO[C@H]1CCCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)C1 535760179 ABNDINRVHUFKIO-QFBILLFUSA-N 448.317 4.148 5 20 IIBD COc1cccc(CO[C@H](C)C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)c1 537152809 TVCUHUMQMVUPNV-CQSZACIVSA-N 427.482 4.295 5 20 IIBD O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 538194752 LFTPAIXMTYRZAF-RTWAWAEBSA-N 445.903 4.331 5 20 IIBD O=C(Nc1ccnc(OCC(F)(F)C(F)F)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 539429564 RRLLNSVYMJTYAC-UHFFFAOYSA-N 442.369 4.466 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCO[C@@H](Cc3ccccc3)C2)cc1[N+](=O)[O-])c1ccccn1 540684085 KHIZMAMGSNXNOP-RXVVDRJESA-N 446.507 4.247 5 20 IIBD C[C@H](Oc1cccnc1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1ccccc1 540696565 SNAYYLVHHTUNGF-INIZCTEOSA-N 427.482 4.114 5 20 IIBD Cc1cccc([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3I)C2)c1 541374940 SLOXYEHKJYRRFM-CQSZACIVSA-N 436.249 4.138 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 542016226 HTAFCEPIOGGOTH-YPMHNXCESA-N 445.829 4.128 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CCC[C@@H]2Cn2c(C)nc3ccccc32)c1Br 542507008 ZDYSOCRIGOUGMQ-CQSZACIVSA-N 430.306 4.388 5 20 IIBD O=C(Cc1cc(Cl)ccc1Cl)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 542772701 BGAKYTYYWMTETK-UHFFFAOYSA-N 448.310 4.059 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC([C@@H](O)C(F)(F)F)CC2)cc1OC 542914857 OJWLGJVATRFPEJ-ORAYPTAESA-N 434.455 4.164 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 543123995 KGTJHMBXWQMPPX-UHFFFAOYSA-N 445.522 4.299 5 20 IIBD O=C(c1ncoc1-c1cccc(C(F)(F)F)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 543263218 YLAAHABQWFBBQS-UHFFFAOYSA-N 446.385 4.231 5 20 IIBD CS(=O)(=O)c1cccc(Oc2ccc(Nc3ncnc4cccc([N+](=O)[O-])c34)cc2)c1 543437989 FXNJXZRJKCNLCF-UHFFFAOYSA-N 436.449 4.477 5 20 IIBD C[C@H](C(=O)N1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1)c1ccc([N+](=O)[O-])cc1F 544493606 XGOVLZQDYPBFJM-GJZGRUSLSA-N 446.454 4.037 5 20 IIBD Cc1ccc(-c2noc([C@H]3CC(=O)N(CCOc4ccccc4Cl)C3)n2)cc1[N+](=O)[O-] 544956128 ZNUQZEPQFXPIBF-HNNXBMFYSA-N 442.859 4.002 5 20 IIBD Cc1ccnc2[nH]c(Cc3noc(-c4ccc(N5C[C@H](C)C[C@@H](C)C5)c([N+](=O)[O-])c4)n3)nc12 545057112 BDPWSFXJEBJBAD-ZIAGYGMSSA-N 447.499 4.298 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)NC1(c2ccc(Br)cc2)CCCC1 545386405 QGLODARGRQBELL-UHFFFAOYSA-N 439.331 4.246 5 20 IIBD COCCOc1cccc(-c2noc(-c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)n2)c1 546373746 GCZQAJDPDMLRGB-UHFFFAOYSA-N 449.467 4.199 5 20 IIBD Cn1ccc([C@@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c2ccc(Cl)cc2)n1 546574239 MFJNXEWKXWFWDR-IBGZPJMESA-N 448.310 4.266 5 20 IIBD COc1cc(Cc2noc(-c3ccc(CNC(=O)C4CCCC4)cc3)n2)ccc1[N+](=O)[O-] 547178587 MZPPYAAJPFGHMS-UHFFFAOYSA-N 436.468 4.051 5 20 IIBD CO[C@@H](C)c1nc(Cc2noc(-c3ccc([N+](=O)[O-])cc3Br)n2)cs1 547235838 CETQAIJZVYBALT-QMMMGPOBSA-N 425.264 4.162 5 20 IIBD CC(=O)N1CCc2c(NC(=O)CSc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cccc21 547427483 NRIARFBSFSAASP-UHFFFAOYSA-N 439.415 4.253 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 549172021 LSWKFPKDEIKTDA-IBGZPJMESA-N 438.509 4.102 5 20 IIBD Cc1nc(SCC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c2c(C)c(C)sc2n1 555206392 YEVSCLBSOYCZQW-UHFFFAOYSA-N 444.538 4.038 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1 558745580 KIVQLBBHZRUHJT-UHFFFAOYSA-N 448.479 4.319 5 20 IIBD O=C(Nc1cccc(Cl)c1Oc1cccnc1)c1cc([N+](=O)[O-])cc2c1OCCO2 559647424 CQOYGYSFYQEDJD-UHFFFAOYSA-N 427.800 4.459 5 20 IIBD COC(=O)c1c(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)sc2c1CCC2 561383800 BEQATYYPPAEEIN-UHFFFAOYSA-N 432.501 4.130 5 20 IIBD Cc1nnc(-c2cccc(NCc3cc(I)cc([N+](=O)[O-])c3)c2)o1 568143398 PVWBZWZKXXREHZ-UHFFFAOYSA-N 436.209 4.170 5 20 IIBD COC(=O)[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccc(Cl)cc1Cl 569030189 FGWCHINCFDPBMH-SFHVURJKSA-N 440.283 4.043 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CN2CCC(CC(F)(F)F)CC2)c1 577249227 GXEDVDREFSFUAM-UHFFFAOYSA-N 428.192 4.364 5 20 IIBD NC(=O)c1ccnc(N[C@H](c2ccccc2)c2ccc(Br)cc2)c1[N+](=O)[O-] 579063221 ZVAVRSFFAAVHRY-MRXNPFEDSA-N 427.258 4.053 5 20 IIBD Cc1cc(Br)c(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1Cl 579507111 AOAPLVHZDIHVBY-LLVKDONJSA-N 439.697 4.041 5 20 IIBD CN1CCC[C@@H](CNc2cccc(C(N)=O)c2[N+](=O)[O-])[C@@H]1c1ccc(C(F)(F)F)cc1 579816752 VHMYDVYKTJHOMA-KSSFIOAISA-N 436.434 4.208 5 20 IIBD COCC[C@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1OC)c1ccc(Cl)c(Cl)c1 581778332 IHONOQRVHWVJIG-KRWDZBQOSA-N 442.299 4.487 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CNc2ccc(Oc3cccnc3)nc2)c1 589595485 GWKXKGLJLYSOAB-UHFFFAOYSA-N 448.220 4.394 5 20 IIBD Cc1sc(NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)nc1-c1cccc([N+](=O)[O-])c1 603997638 UBXWUGNIBJSUST-HNNXBMFYSA-N 428.514 4.146 5 20 IIBD CC[C@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 604020259 WYIWURFBZDHCBF-HNNXBMFYSA-N 440.374 4.188 5 20 IIBD Cc1nc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)sc1Cc1cccc(F)c1 608938755 VPVKVOZCHDBNBA-UHFFFAOYSA-N 429.429 4.113 5 20 IIBD O=C(NCCCc1cccc(Br)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 609410251 FXGXROOGOPWWJE-UHFFFAOYSA-N 432.318 4.320 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cccc(CNc3ccc([N+](=O)[O-])cc3F)c2)cc1 609670852 UZVHTNFMDPHKIW-UHFFFAOYSA-N 431.445 4.155 5 20 IIBD CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 609726242 ASXCPOBLOVLIAP-UYAOXDASSA-N 442.468 4.232 5 20 IIBD C[C@H]1C[C@H](c2ccc(F)cc2)CN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 609917479 KXAFVLIWOITRRC-AAEUAGOBSA-N 443.294 4.063 5 20 IIBD COc1cc(C(=O)N2Cc3ccccc3C[C@H]2C)c([N+](=O)[O-])cc1OCc1cscn1 610189234 XWUNWJCZVWZVGS-CQSZACIVSA-N 439.493 4.226 5 20 IIBD COc1cc(CN[C@H]2CCO[C@]3(CCSC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 610889992 IRZNPLDIGCEANR-WMZHIEFXSA-N 444.553 4.327 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 611529929 SHQWDKBPLUHYJG-FQEVSTJZSA-N 446.463 4.357 5 20 IIBD COc1cc(CCc2cc(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)n[nH]2)cc(OC)c1 612546325 RITMQLPZFDHHRG-ZDUSSCGKSA-N 442.447 4.002 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 619507625 UPZTZUZYWSKRBF-NSHDSACASA-N 425.532 4.012 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C 725799104 RFOVMSXNYFATSU-UXHICEINSA-N 446.548 4.096 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)N1CCC(C2OCCO2)CC1 726789163 WZZQCRABJLOMBZ-HXUWFJFHSA-N 445.903 4.013 5 20 IIBD O=C(COC(=O)C[C@@H](c1ccccc1)C(F)(F)F)Nc1ccc(Cl)c([N+](=O)[O-])c1 728652889 GYLIUONXUUSMLT-ZDUSSCGKSA-N 430.766 4.466 5 20 IIBD Cc1ccc(C[C@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)cc1 733320018 ZPJMWIICYCMQHX-OAHLLOKOSA-N 439.331 4.062 5 20 IIBD Cc1ccnc(N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)c1[N+](=O)[O-] 734479702 YCXRGWBUNUGSFU-UHFFFAOYSA-N 439.497 4.257 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 734787518 FBZSPTOJTZVUDT-JGCGQSQUSA-N 448.504 4.032 5 20 IIBD CC1CCN(c2ccc(C(=O)NC[C@H](O)c3cccc(OC(C)C)c3)cc2[N+](=O)[O-])CC1 735121143 YRZGVMCMWCTMEY-QHCPKHFHSA-N 441.528 4.082 5 20 IIBD C[C@@H]1C[C@H](c2ccccc2F)N(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 742332744 NXPXTYDNYOENPQ-BDJLRTHQSA-N 443.294 4.268 5 20 IIBD C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)C[C@@H]1CCN(Cc2ccccc2)C1 744426733 WKOWUNCXPVZPDR-WMZOPIPTSA-N 430.936 4.029 5 20 IIBD C[C@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 745333245 ONABEJVZZJISFB-JTQLQIEISA-N 430.766 4.380 5 20 IIBD CCn1cc(CC(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c2ccccc21 748414139 BWJGTJPVDHZFRU-ZDUSSCGKSA-N 429.860 4.336 5 20 IIBD CCn1cc(CC(=O)OCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c2ccccc21 748419376 IOCBEXFSPJFQSO-UHFFFAOYSA-N 434.395 4.465 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)CCc2ccc(Br)cc2)cccc1[N+](=O)[O-] 748919676 FVBOYUGTWYJBRZ-ZDUSSCGKSA-N 435.274 4.169 5 20 IIBD Cc1c(C(=O)NCc2csc(CCc3ccccc3)n2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 751431873 WVYKLUNYDRJVNT-UHFFFAOYSA-N 440.481 4.292 5 20 IIBD CCN(CC)CCN(CCC(F)(F)F)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 752487107 BMFCEVFKZAWWFV-UHFFFAOYSA-N 440.260 4.094 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2cnc(Cc3ccccc3)s2)cccc1[N+](=O)[O-] 756539283 FEHANWGSYOXDMT-AWEZNQCLSA-N 425.466 4.135 5 20 IIBD Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)C2)c1 756989418 PWPURZBGNGMXJK-OAHLLOKOSA-N 430.892 4.117 5 20 IIBD CC(C)c1ccc(-n2cnnc2SCC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc1 756997728 UGAXUPPGTRRZKI-UHFFFAOYSA-N 445.932 4.361 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1I)N1CCc2c(Cl)cccc21 757203369 MUBOGNWAICYRAP-UHFFFAOYSA-N 428.613 4.056 5 20 IIBD O=C(NCc1csc(CCc2ccccc2)n1)NCc1cc([N+](=O)[O-])ccc1Cl 757226113 WBFMBSZKHNINHW-UHFFFAOYSA-N 430.917 4.489 5 20 IIBD Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 759772253 HEWOXEOVDDQGOQ-GOSISDBHSA-N 445.951 4.135 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(NC[C@H](O)c3cccc(OCc4ccccc4)c3)cc2N1 760493437 QZGLQBCCTQJCCA-QHCPKHFHSA-N 433.464 4.204 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@H](C)c2noc(-c3ccccc3)n2)CC1 760834436 QFXZJGDGAXZARK-MRXNPFEDSA-N 435.484 4.372 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(Cc3ccc(OCc4ccccn4)cc3)no2)cc([N+](=O)[O-])c1 761667294 RZBUQFNSMOGROC-UHFFFAOYSA-N 433.380 4.118 5 20 IIBD COC(=O)c1cc(-c2nc(-c3ccnc(OCc4ccccc4)c3)no2)cc([N+](=O)[O-])c1 761687425 PFJLNCLHFYLFOC-UHFFFAOYSA-N 432.392 4.072 5 20 IIBD O=C(O[C@@H]1CCO[C@H](C2CCOCC2)C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 763117156 DOVHRHYHDWCIJB-OFNKIYASSA-N 440.496 4.338 5 20 IIBD CC(C)N(Cc1ncc(-c2ccc3c(c2)OCO3)[nH]1)C(=O)c1cc(F)c([N+](=O)[O-])cc1F 763469748 ASCYRNLSTCNWDG-UHFFFAOYSA-N 444.394 4.043 5 20 IIBD Cc1nccn1CCCN(C)[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 767449430 MCKVHMRKRBESCC-OAQYLSRUSA-N 441.919 4.455 5 20 IIBD Cc1ccc(Cc2nc(C(=O)O[C@@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)cs2)cc1 768802365 RJYDOHZBFKEWML-QZTJIDSGSA-N 426.498 4.488 5 20 IIBD O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C(=O)c1cc(F)c([N+](=O)[O-])cc1F 770067540 CIKAMWVDLHLPDJ-HNNXBMFYSA-N 444.221 4.423 5 20 IIBD COc1ccc2cc([C@H](C)C(=O)NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc2c1 770819794 YMGDNJIGARGNJK-LBPRGKRZSA-N 448.884 4.019 5 20 IIBD C[C@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 776013749 ZBYQRJSBSCRKFR-YUNKPMOVSA-N 431.876 4.087 5 20 IIBD O=C(Cc1ccn(-c2ccc(F)cc2)n1)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776136677 LAIFEBADESLSKI-HSZRJFAPSA-N 432.411 4.190 5 20 IIBD O=C(O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1cc(Cl)c2c(c1)OCCO2 776138142 FIOQCKPPUFBLRB-LJQANCHMSA-N 426.812 4.361 5 20 IIBD Cn1c(SC[C@H](O)c2ccc([N+](=O)[O-])cc2)nc2sc(-c3ccccc3)cc2c1=O 776271065 HKDSTTJMPDRALO-KRWDZBQOSA-N 439.518 4.396 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCc2ncc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2C1 777235939 OBVJPNUZVYZBJN-AWEZNQCLSA-N 446.891 4.278 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 779568861 ABTJCFGOUHWVQK-JGDYFIEFSA-N 446.507 4.070 5 20 IIBD CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C1CC1 780639524 KLGLIOMPPLFZOW-RUZDIDTESA-N 435.524 4.105 5 20 IIBD CC(C)(C)OC(=O)CCc1cccc(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c1 791887121 BENGBTRTGLIEHC-FQEVSTJZSA-N 439.468 4.001 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2ccc(F)c(N3CCOC3=O)c2)cc1[N+](=O)[O-] 794109958 VHEHTVWAGVRBTB-UHFFFAOYSA-N 438.209 4.014 5 20 IIBD CNC(=O)Oc1cccc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 795010171 LUFWBPFGOMIXGV-CQSZACIVSA-N 435.440 4.133 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)Oc2ccc3ccccc3c2)c([N+](=O)[O-])c1 795724696 ZCBVLVZIZSIIRB-CABCVRRESA-N 438.436 4.094 5 20 IIBD Cc1onc(-c2cccc(Cl)c2)c1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 796387152 QMHPMDNYJHFPOH-UHFFFAOYSA-N 430.800 4.435 5 20 IIBD O=C(CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)NC[C@H](CO)[C@H]1CCOC1 796445160 KHWPKJMWXRWHPK-LEWJYISDSA-N 429.516 4.308 5 20 IIBD COc1ccc(-c2nc(CC(=O)Nc3c(F)ccc([N+](=O)[O-])c3C)cs2)cc1OC 800150439 PDJKQUXBWSOZEB-UHFFFAOYSA-N 431.445 4.364 5 20 IIBD C[C@@H](OC(=O)CSc1nc2ccccc2o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 800789102 PXSJYQUTPKHKAK-SNVBAGLBSA-N 435.845 4.052 5 20 IIBD CC(C)(C)CCOc1cnccc1CNC(=O)c1cccc([N+](=O)[O-])c1Br 807892803 ZUODYHQGBYXLSY-UHFFFAOYSA-N 436.306 4.497 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCC([C@H](O)c3ccccc3)CC2)c(Cl)cc1Cl 809819086 VUQIPHNVFBFAAD-GOSISDBHSA-N 445.324 4.036 5 20 IIBD CCc1cc(=NC(=O)c2cc(Cl)ncc2Br)c2cc([N+](=O)[O-])ccc2[nH]1 813148381 FMUMJJDFDRIJFO-UHFFFAOYSA-N 435.665 4.191 5 20 IIBD CC(C)n1c(S)nnc1[C@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 813449570 UFFZVNQMLTUSRQ-JTQLQIEISA-N 444.344 4.383 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C2)C1 817649414 BCXLXGBYJFKTBS-RBUKOAKNSA-N 431.533 4.023 5 20 IIBD COc1ccc(CSCC(=O)OCc2coc(-c3cccc(F)c3)n2)cc1[N+](=O)[O-] 914804199 JMXSBJNUDFYNEV-UHFFFAOYSA-N 432.429 4.374 5 20 IIBD Cc1cc(C(=O)COC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c(C)n1CC(F)(F)F 916523179 MWWHCVWMVSYSIY-CYBMUJFWSA-N 444.431 4.482 5 20 IIBD C[C@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)Nc1ccccc1Br 917329475 IOZBXXSJGUZYDE-JTQLQIEISA-N 432.230 4.023 5 20 IIBD CC(=O)NCCCOC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 920513684 MKVCKNJFBIQFHW-LGMDPLHJSA-N 439.493 4.205 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)OCC(=O)N(CC(F)(F)F)c1ccc(Cl)cc1 1317869239 JXZQJRNIUXGTIF-KMKOMSMNSA-N 442.777 4.400 5 20 IIBD C[C@@H](C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc(F)cc1F 1330239563 VZCWVZZWGIXERL-SECBINFHSA-N 432.301 4.177 5 20 IIBD COc1ccc(NC(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)c([N+](=O)[O-])c1 1347509602 MXCUOZOZSHDOBY-IAGOWNOFSA-N 426.256 4.032 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)NC1(c2ccc(NC(=O)[C@H]3C[C@H]3C3CC3)cc2)CCC1 1786048665 IUERKVMPBCJZAH-VXKWHMMOSA-N 433.508 4.318 5 20 IIBD Cc1ccoc1C(=O)Nc1ccc(C2(NC(=O)Cc3cccc([N+](=O)[O-])c3)CCC2)cc1 1788689773 ZUGDJEBEIYIGAM-UHFFFAOYSA-N 433.464 4.487 5 20 IIBD C/C=C(\C)C(=O)NC1(c2ccc(NC(=O)Cc3cc(F)ccc3[N+](=O)[O-])cc2)CCC1 1792309776 LVPWVDRMTAUQEK-CRKCGEKBSA-N 425.460 4.377 5 20 IIBD O=C(c1cccc(F)c1[N+](=O)[O-])N1CCC2(CCCN(C(=O)C3CCCCC3)C2)CC1 1808972655 IFORRWPFHJXOMJ-UHFFFAOYSA-N 431.508 4.159 5 20 IIBD CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1 1823615863 ZAMKUDHMYLHQNV-FQEVSTJZSA-N 439.512 4.297 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@@H]2CCCCN2C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 1831474684 DCRUFEKMWDEPRI-GTAWCEEGSA-N 443.544 4.247 5 20 IIBD C[C@@H](OC(=O)c1ccc(Br)s1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 9606526 GNAXFVSIYLJRGE-SSDOTTSWSA-N 433.667 4.256 5 20 IIBD CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1 9685792 ZFKSGYOFVXPDOK-UHFFFAOYSA-N 443.843 4.240 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCCc3ccccn3)c([N+](=O)[O-])c2)c(C)c1 20815618 FPTIJWCIYZBJSQ-UHFFFAOYSA-N 426.498 4.062 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 21815435 ZCJYEWAMAYDMBB-GFCCVEGCSA-N 438.889 4.309 5 20 IIBD CCN(Cc1cccc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c1)C(C)=O 27039365 FFGKNIIMQFUDBG-UHFFFAOYSA-N 449.511 4.077 5 20 IIBD COc1ncccc1CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 28340222 ISXOGLLDHGRHBA-LJQANCHMSA-N 426.860 4.121 5 20 IIBD CCCCn1c(SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])nc2ccccc2c1=O 28359900 FFJFBHSNYGYAKP-UHFFFAOYSA-N 446.916 4.489 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)NCCCc2nnc(SC)n2C2CCCC2)c1 105270491 SRYDNBRDYSLBOR-UHFFFAOYSA-N 435.575 4.108 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(C(=O)c2cc(F)ccc2F)CC1 108140633 WXVGACPROARMMQ-UHFFFAOYSA-N 431.439 4.105 5 20 IIBD O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(CNC(=O)c2cccs2)cc1 116303826 QCRIFCBDUBDNLB-UHFFFAOYSA-N 447.476 4.229 5 20 IIBD Cc1ccc(Sc2ccc(CNCCCN3CCCN(C)CC3)cc2[N+](=O)[O-])cc1 237172518 FTCFHWZRIJCQHO-UHFFFAOYSA-N 428.602 4.172 5 20 IIBD O=c1c(Cl)c(NC2CCN(c3cccc(F)c3)CC2)cnn1-c1ccc([N+](=O)[O-])cc1 301367051 OFMWPOZEFINMSM-UHFFFAOYSA-N 443.866 4.014 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)s1 302775991 OVUPPIUHBPCQCY-JTQLQIEISA-N 436.342 4.057 5 20 IIBD Cc1nc(-c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)cc2)cs1 303551399 ZYDOCZXQAQJHHJ-INIZCTEOSA-N 442.522 4.332 5 20 IIBD CCCOc1ccc(Cl)cc1NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 303673999 KKUHAWPQQQKUJZ-UHFFFAOYSA-N 426.256 4.059 5 20 IIBD CCCN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@@H]1C[C@H](OCC)C12CCCC2 303892948 SBWSQKHVIXGIDQ-RTWAWAEBSA-N 426.517 4.371 5 20 IIBD COc1ccc(-c2ccc(CNCc3nnc4ccc(C(F)(F)F)cn34)o2)c([N+](=O)[O-])c1 409459628 UVGWGWIERSTIQC-UHFFFAOYSA-N 447.373 4.215 5 20 IIBD CC[C@@H](CSc1ccc(C)c(C)c1)NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 425913390 CMWLEOIJDDXINI-KRWDZBQOSA-N 431.562 4.326 5 20 IIBD Cc1cc(NC(=O)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)ccc1C(F)(F)F 427854537 QNRSKVZNXJUPFP-UHFFFAOYSA-N 449.307 4.196 5 20 IIBD CN(C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)C1c2ccccc2-c2ccccc21 431841139 BOKMFSFFLZUINZ-UHFFFAOYSA-N 441.443 4.090 5 20 IIBD CC(C)(C(=O)Nc1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccccc1[N+](=O)[O-] 432008368 QEBIIGUKLOOBJP-UHFFFAOYSA-N 439.493 4.312 5 20 IIBD COc1cc(NC2CCN(C(=O)c3cc(SC)ccc3[N+](=O)[O-])CC2)cc(OC)c1 432592593 MJAZSRSNYFRGOT-UHFFFAOYSA-N 431.514 4.051 5 20 IIBD COc1cc(C(=O)N2CC3(CCC3)c3cc(Br)ccc32)c([N+](=O)[O-])cc1OC 433719475 OZHQNNJZHSAOMA-UHFFFAOYSA-N 447.285 4.457 5 20 IIBD CCc1nnc(O)c(CNC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)c1CC 434345295 XMYRQFXVRSIUKC-UHFFFAOYSA-N 432.546 4.283 5 20 IIBD CC(C)[C@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCS1 437193343 GQYWHIRNVGYBDQ-GOSISDBHSA-N 445.507 4.430 5 20 IIBD CS(=O)(=O)CCc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cc1 437526530 KWOWLMVAFJTYHX-UHFFFAOYSA-N 440.477 4.227 5 20 IIBD COC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C[C@@H](C)O1 439947549 WSYXPADATCZTQD-CJNGLKHVSA-N 436.917 4.275 5 20 IIBD Cc1ccc(NCCCNC(=O)Nc2ccccc2-c2nncn2C(C)C)c([N+](=O)[O-])c1 440310812 LSFQYXIHMYRBNQ-UHFFFAOYSA-N 437.504 4.366 5 20 IIBD O=C(Nc1cccc(-c2ccc3c(c2)CCO3)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 441691886 RVDFVYMHWQCMOC-UHFFFAOYSA-N 437.839 4.427 5 20 IIBD CCc1[nH]nc(C(=O)Nc2nc3cc(C(F)(F)F)ccc3n2Cc2ccco2)c1[N+](=O)[O-] 444132026 YZJSVOVGZXGWON-UHFFFAOYSA-N 448.361 4.142 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 444926417 BKAJZGBGJTTWIU-AWEZNQCLSA-N 435.440 4.133 5 20 IIBD Cc1ccccc1-c1cc(-c2nc(-c3c([N+](=O)[O-])ncn3C)no2)c2cnn(C(C)C)c2n1 445574271 KLWIYPYTKUICQB-UHFFFAOYSA-N 444.455 4.346 5 20 IIBD CC[C@@H](NC(=O)Cc1noc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1)c1ccccc1 445719601 BESGWJGJKVXBBK-GOSISDBHSA-N 435.484 4.055 5 20 IIBD COc1cc(Cc2noc(-c3cc(C(F)(F)F)ccc3F)n2)c([N+](=O)[O-])c(OC)c1 445822516 SSJQDCPMTBOETD-UHFFFAOYSA-N 427.310 4.411 5 20 IIBD Cc1cnccc1OC1CCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CC1 446790798 CKHWNBKXKXQLDY-UHFFFAOYSA-N 449.457 4.347 5 20 IIBD CCNc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)cc1[N+](=O)[O-] 460337522 YMJKTXOTKAWIHW-UHFFFAOYSA-N 448.410 4.219 5 20 IIBD C[C@@H](c1ccncc1)N1CCC(Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 462497323 ZEVNHHNVTWZVDO-SFHVURJKSA-N 433.512 4.601 5 20 IIBD C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 462580717 PJVDLQCTTGIOLE-VLIAUNLRSA-N 437.525 4.318 5 20 IIBD COC(=O)c1sc2nc(C)nc(N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)c2c1C 462940050 AIBKIWQDTSODJF-UHFFFAOYSA-N 442.497 4.051 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N(CCCOc1ccccc1)C1CCOCC1 464188957 UBDCPFJVDQAONW-UHFFFAOYSA-N 432.904 4.267 5 20 IIBD CCN(CC1CCN(c2ccccn2)CC1)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 465982961 NOFWDOHAAMMTTH-UHFFFAOYSA-N 439.560 4.261 5 20 IIBD CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)NCCc1ccccc1[N+](=O)[O-] 466143657 KIKXHAUGXZONFQ-UHFFFAOYSA-N 443.891 4.463 5 20 IIBD CNC(=O)C1CCC(NC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CC1 466548628 RMXJDCRYROZFFZ-UHFFFAOYSA-N 447.944 4.434 5 20 IIBD Cc1ccc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(O[C@H]2CCOC2)c1 468400340 WQEIBBYXFABTAT-NRFANRHFSA-N 427.501 4.191 5 20 IIBD Cn1nc(C(F)F)c2cc(C(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)sc21 471160464 KRVRGIZUFPROKJ-UHFFFAOYSA-N 434.346 4.429 5 20 IIBD C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 472506474 WTJPWKMGVJRANX-QVDMIQRCSA-N 446.345 4.244 5 20 IIBD CCOc1cc(NC(=O)N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)c([N+](=O)[O-])cc1OCC 473644360 UXFMMIATSYCQCM-PSKUBERUSA-N 449.529 4.355 5 20 IIBD CCOc1cc(N2CCN(C(=O)N[C@H]3CCSc4ccccc43)CC2)ccc1[N+](=O)[O-] 473969630 MKIWGMGRVCMPMX-SFHVURJKSA-N 442.541 4.062 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CCN(C4CC4)c4cc(F)ccc43)cc2)c(C)c1[N+](=O)[O-] 479614235 GZAIAJDGVYQBSG-UHFFFAOYSA-N 449.486 4.225 5 20 IIBD CCn1c(SC[C@H](O)COCc2ccccc2Cl)nnc1-c1ccc([N+](=O)[O-])cc1 480374094 ZHRLCFQLPWOUHW-QGZVFWFLSA-N 448.932 4.196 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1 481500642 YABWYLNTUOJFHV-KOMQPUFPSA-N 432.473 4.065 5 20 IIBD CCOc1cc(N2CCN([C@@H](C)C(=O)Nc3c(C)cc(C)cc3C)CC2)ccc1[N+](=O)[O-] 482872029 IGIIYDUJIUSQQJ-IBGZPJMESA-N 440.544 4.068 5 20 IIBD COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)c(Br)cc1Br 486122616 BUPZFYDGYUGUGX-UHFFFAOYSA-N 430.052 4.381 5 20 IIBD CSc1cccc(C(=O)N[C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)c1[N+](=O)[O-] 486418024 RVNABMQRWRLUMS-BTYIYWSLSA-N 430.526 4.372 5 20 IIBD CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 486816754 DSBYAGGNFBKVOU-RTBURBONSA-N 438.528 4.020 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(N3CCC[C@@H](c4nc(-c5cccc(F)c5)no4)C3)n2)cc1 486972866 TXVFXUOLZFMSPD-OAHLLOKOSA-N 436.403 4.218 5 20 IIBD COC(=O)c1cccc2c1CCCN2C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 487141101 IMQBTYHLFSKUGZ-UHFFFAOYSA-N 437.496 4.211 5 20 IIBD CCOC1(C)CCN(c2ccc(C(=O)c3ccccc3C(=O)OC)cc2[N+](=O)[O-])CC1 488444536 IIZKAUSCEHICNT-UHFFFAOYSA-N 426.469 4.008 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(CC2CC2)c2ccccc21 490007750 DUVQBHLKNWNCBO-UHFFFAOYSA-N 427.526 4.210 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 491065059 FLZWNOPSVZDEQK-OAHLLOKOSA-N 437.525 4.136 5 20 IIBD COc1cc(N[C@H]2CCCN(C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)C2)cc(OC)c1 494020183 XNNIDXBHYDDHOO-INIZCTEOSA-N 428.489 4.337 5 20 IIBD CCC(CC)N(CC)C(=O)c1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 494843222 YVZWILWEYDTMGI-UHFFFAOYSA-N 449.529 4.055 5 20 IIBD C[C@@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)CCOc3ccccc3[N+](=O)[O-])cc2)C1 495029609 VUUKGBQZHDRYFD-RTBURBONSA-N 425.529 4.158 5 20 IIBD CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](CO)c1cccc(Br)c1 499245856 PQECHJQMEIOCHE-OAHLLOKOSA-N 428.670 4.208 5 20 IIBD C[C@@H](NC1(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCOCC1)c1ccccc1 500471098 YIIXDVSMEYGOFX-MRXNPFEDSA-N 439.537 4.439 5 20 IIBD CC(C)(COc1ncccc1C(F)(F)F)NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 502336266 XWLLEXYHWZMGKU-UHFFFAOYSA-N 437.378 4.006 5 20 IIBD CC[C@H](CSc1ccccc1[N+](=O)[O-])Nc1cccc(N2C(=O)CCNC2=O)c1C 503938158 RNUMHFRJTFKQJD-OAHLLOKOSA-N 428.514 4.332 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1OCC(F)(F)F 506870006 BMZMUPOCLUAGTN-UHFFFAOYSA-N 432.786 4.423 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCCCN2CCc3ccccc32)cc1[N+](=O)[O-])c1ccccn1 506926392 DFIBIWOEUKXKMU-GOSISDBHSA-N 445.523 4.346 5 20 IIBD COc1ccc(CNC(=O)c2ccc(Br)cc2Br)cc1[N+](=O)[O-] 506993767 ZCGMGLNNJINSJU-UHFFFAOYSA-N 444.079 4.058 5 20 IIBD COCCN(C(=O)Cc1ccc(C(C)=O)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 509660713 DUGNIBOGZOPIPG-UHFFFAOYSA-N 439.493 4.143 5 20 IIBD Cc1c(Br)cc(C(=O)N[C@H](c2ccccc2F)c2nccn2C)cc1[N+](=O)[O-] 509899193 NNGNXWQZICIXSK-QGZVFWFLSA-N 447.264 4.058 5 20 IIBD O=C(N[C@@H]1CCc2c(Cl)cccc21)c1ccc([N+](=O)[O-])cc1I 511654853 MMHXOCUVZYTMCP-OAHLLOKOSA-N 442.640 4.270 5 20 IIBD CNC(=O)Nc1cc(NCc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])ccc1F 512862629 VVCXOPLWDZUHRE-UHFFFAOYSA-N 446.357 4.047 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1ccc(OC)c(OC(F)F)c1 515436636 UITGNSSPDOTFNP-UHFFFAOYSA-N 433.415 4.120 5 20 IIBD C[C@@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccccc2)c1 518313287 GDNHGZKGYJBNDL-QGZVFWFLSA-N 448.479 4.286 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(CS(=O)(=O)c2ccccc2)c1 520319343 DEWBYMLWYPQWSU-UHFFFAOYSA-N 442.518 4.300 5 20 IIBD O=C(NC1(c2ccc(Br)cc2)CCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 520683585 PIRLRZOLWWXUQT-UHFFFAOYSA-N 441.285 4.352 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1C 521415184 LJEIQBRDAIEHBF-MRXNPFEDSA-N 445.541 4.281 5 20 IIBD O=C(CSc1nccn1-c1ccc(C(F)(F)F)cc1)NCc1ccccc1[N+](=O)[O-] 521963314 SHKOHJBVYGAVFR-UHFFFAOYSA-N 436.415 4.208 5 20 IIBD CC(C)n1cc([C@H](C)NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cn1 523661525 TWZKYSOHWRABDZ-INIZCTEOSA-N 449.511 4.160 5 20 IIBD Cc1ccc(-n2nc(-c3ccco3)cc2NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 524113907 JUQSNSDTHWHEHB-UHFFFAOYSA-N 432.392 4.330 5 20 IIBD Cc1ccc([C@H](C)N[C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)cc1[N+](=O)[O-] 530727156 DGBRCCCVOJLMJI-GJZGRUSLSA-N 434.334 4.363 5 20 IIBD COc1ccc(CNCc2nnc(C(C)C)s2)cc1OCc1ccc([N+](=O)[O-])cc1 532075208 PNBYYIKEJLYGAU-UHFFFAOYSA-N 428.514 4.447 5 20 IIBD CN1CC[C@@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 534247682 BYSOGGHULLVEKS-KPZWWZAWSA-N 426.275 4.464 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 534399017 SMVTXNUXYRBQNI-JCURWCKSSA-N 430.448 4.170 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(OCc2ncc(-c3ccccc3C)o2)c([N+](=O)[O-])c1 535261505 MNMCMTVFLGZMPY-UHFFFAOYSA-N 445.497 4.168 5 20 IIBD Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C 537156427 KJCAHPLYWBWULR-UHFFFAOYSA-N 443.525 4.128 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cc(C(=O)O)ccc2F)cc1 537400538 DAYIDKNVFACTHS-UHFFFAOYSA-N 426.356 4.485 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCN(C(=O)C3CC3)CC2(C)C)cc1[N+](=O)[O-] 538434228 GZBLSABJTHTUSO-UHFFFAOYSA-N 433.574 4.206 5 20 IIBD Cc1nc([C@H]2CCCN(C(=O)c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)C2)n[nH]1 538648421 XKRAYGAXLJDJMA-HNNXBMFYSA-N 441.875 4.487 5 20 IIBD CCN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[C@H]1CCN(Cc2ccccc2)C1 539862303 LPPZSGUDRDGKGE-OAQYLSRUSA-N 433.556 4.339 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CC=C(c3ccc4c(c3)OCCO4)CC2)c1Br 541577817 JCZSGXZXGYRIQK-UHFFFAOYSA-N 432.274 4.126 5 20 IIBD Cc1ccc(-c2nc(C)c([C@@H](C)NCCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 541660665 RURVPHGWKFJQJA-OAHLLOKOSA-N 445.566 4.460 5 20 IIBD Cc1cc(C(=O)NCC(=O)N[C@@H](c2ccc(Cl)cc2)c2cccs2)ccc1[N+](=O)[O-] 542074853 FLKASTYKJICYOZ-FQEVSTJZSA-N 443.912 4.254 5 20 IIBD CN(C(=O)[C@H](Cc1ccccc1)NC(=O)CSc1ccccc1[N+](=O)[O-])c1ccccc1 542194853 DERVJNLYKFUIFA-FQEVSTJZSA-N 449.532 4.077 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)C2CCCC2)cc1[N+](=O)[O-] 542993972 DAVDBRSLRFNZKE-IBGZPJMESA-N 431.876 4.243 5 20 IIBD CCOc1cccc2cc([C@H](C)NCCC(=O)Nc3cc([N+](=O)[O-])ccc3OC)oc12 543517776 QEPOGRIIIVUJNI-AWEZNQCLSA-N 427.457 4.428 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccc(C(=O)N=c2cc[nH]cc2)c1 544050555 WWGRNERRNOEKHJ-UHFFFAOYSA-N 442.884 4.048 5 20 IIBD CCn1c(SCc2nc(Cc3ccccc3[N+](=O)[O-])no2)nnc1-c1cccs1 545535324 RMIBVCWDGDBRLM-UHFFFAOYSA-N 428.499 4.201 5 20 IIBD COc1ccccc1-c1ccc([C@H](C)NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1 546776688 ICFJPWIVMQLQDH-INIZCTEOSA-N 426.494 4.451 5 20 IIBD Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Sc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C 547232623 XPSAWORHWYQEJB-CQSZACIVSA-N 440.525 4.393 5 20 IIBD Cc1ccccc1[C@H]1CN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CCO1 547715136 UXUFSANSLORRKU-JOCHJYFZSA-N 434.442 4.482 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CC[C@H](c4ccccc4)C3)n2C[C@H]2CCCCO2)c1 549651727 SPWBHZPSSDWSDZ-RBBKRZOGSA-N 433.512 4.416 5 20 IIBD CC(C)(C)[C@@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccccc1 551405910 DOCNRXSJSFMAFT-INIZCTEOSA-N 434.290 4.199 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CC[C@H](N4CCCC4)[C@@H]3C)cc2[N+](=O)[O-])n1 553776606 ORJJTHJSFNDPEG-HOCLYGCPSA-N 432.571 4.210 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 554847133 RFAYVLZWSUKXFA-XMMPIXPASA-N 435.549 4.305 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)NCC3(S(C)(=O)=O)CCCC3)cc2[N+](=O)[O-])cc1 557141711 IVCUGLBLTOKVPU-UHFFFAOYSA-N 448.566 4.142 5 20 IIBD O=c1cc(CSCc2c(F)cc([N+](=O)[O-])cc2F)nc2ccc(Br)cn12 560444155 CAIVRIUZRLBMLB-UHFFFAOYSA-N 442.241 4.077 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCC[C@]3(O)C[C@H]4CC[C@H]3C4)cc2[N+](=O)[O-])n1 560704467 YJAYARPZDMAAON-KPHUOKFYSA-N 433.555 4.182 5 20 IIBD CC(=O)N(c1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1)[C@@H]1C[C@@H]1C 568684270 OHHSXBQJQGPXHF-QMHKHESXSA-N 436.512 4.211 5 20 IIBD COC(=O)CN(C(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1)c1cccc(C)n1 577151753 PBEMVLJBWGLIDR-UHFFFAOYSA-N 431.514 4.256 5 20 IIBD C[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(Br)cc1F 581612857 HLOLOHZCYLIWJZ-NSHDSACASA-N 433.237 4.173 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CNc2nccn2Cc2ccccc2)c1 582095311 MLOXLDQIHSJUFC-UHFFFAOYSA-N 434.237 4.056 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 608870595 IPMPLMJDAQQWOZ-UHFFFAOYSA-N 435.337 4.463 5 20 IIBD CCOc1cc(NC(=O)C2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])cc1OCC 608933434 GLDAPDNNZDVXJL-UHFFFAOYSA-N 427.501 4.243 5 20 IIBD CCOc1ccccc1Oc1ccc(CNC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)cn1 609010999 PYWXFFWAPGLLPH-UHFFFAOYSA-N 437.452 4.048 5 20 IIBD Cc1n[nH]cc1CNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 609108467 FAUSWMRPTAWOAC-UHFFFAOYSA-N 425.495 4.317 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccccc2N(C)Cc2ccccc2)c([N+](=O)[O-])c1 609473296 ULDQOAQNVLYSQM-UHFFFAOYSA-N 427.482 4.041 5 20 IIBD C[C@@H]1C[C@@H](N(C)C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 609978060 WDUOWJSEATZRPZ-GCJKJVERSA-N 447.539 4.120 5 20 IIBD CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 610035768 DLFNGCJNXXQKLN-UHFFFAOYSA-N 437.418 4.167 5 20 IIBD CCCC(=O)NC[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 611202775 OQTRGMAIWFXZHE-MRXNPFEDSA-N 433.574 4.398 5 20 IIBD COC(=O)c1cccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)c1 611261245 ADVHMZBHJCZRNN-UHFFFAOYSA-N 428.510 4.389 5 20 IIBD CCOC(=O)C[C@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 617717506 NLFYLBMGSSCBBP-ACJLOTCBSA-N 449.301 4.272 5 20 IIBD O=C(Nc1ccccc1CS(=O)(=O)c1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 730984115 SZUKKAVMYUXYAR-UHFFFAOYSA-N 430.869 4.474 5 20 IIBD O=C(NS(=O)(=O)c1cc([N+](=O)[O-])cs1)c1ccc(SCc2ccccc2)cc1 732618775 JFLLVDISHSWZJC-UHFFFAOYSA-N 434.520 4.067 5 20 IIBD C[S@@](=O)Cc1cc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)ccc1Cl 734402810 RKQYEBRVURGFAV-XMMPIXPASA-N 431.695 4.142 5 20 IIBD CCC[C@H](NC(=O)[C@H](C)OC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1ccccc1 735353521 JBYJDYHEIMJTRF-LIRRHRJNSA-N 437.452 4.052 5 20 IIBD COc1cccc(C[C@]2(C(=O)OCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]3CC[C@H]2C3)c1 735563140 GGCNTMSAQIOCLH-XFAGBWLFSA-N 438.480 4.134 5 20 IIBD CCc1ocnc1C(=O)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 740275503 CAPCODDNYMCCQT-SFHVURJKSA-N 429.816 4.335 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3ccc(OC(F)F)cc3)CC2)ccc1[N+](=O)[O-] 744200406 FOTDBWTUAYWBMI-UHFFFAOYSA-N 436.411 4.421 5 20 IIBD COc1ccc(C2(C(=O)O[C@@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)CCCC2)cc1 744889165 HPGVTMRBEWEOTF-AWEZNQCLSA-N 430.432 4.125 5 20 IIBD Cn1c(C(=O)O[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc2cc(C(F)(F)F)ccc21 745625854 FNFYJNGORQTDKQ-GOSISDBHSA-N 447.369 4.068 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CC(C)(C)CNC(=O)OC(C)(C)C 747842536 GZIXHFFMYDFSBY-CYBMUJFWSA-N 442.944 4.058 5 20 IIBD CC(C)c1nc(C(=O)OCCOc2ccc([N+](=O)[O-])cc2)nn1-c1ccccc1Cl 748416578 XLLKCTIYCVYDHN-UHFFFAOYSA-N 430.848 4.188 5 20 IIBD C[C@@H](OC(=O)c1cc(Cl)ccc1OC(F)F)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 748918682 SYFWGBSYVZXDRK-MRVPVSSYSA-N 432.738 4.173 5 20 IIBD CCc1ccc([C@@H](C)NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1 748952471 VPRBVIBMEIXKQF-HUUCEWRRSA-N 443.456 4.105 5 20 IIBD O=C(Nc1cccc(N2CCOC2=O)c1)c1cc(Br)cc([N+](=O)[O-])c1Cl 749409789 HQSAHNKIKWVPLO-UHFFFAOYSA-N 440.637 4.220 5 20 IIBD CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 750184764 DZHMJQAZQBQTDU-CQSZACIVSA-N 434.899 4.020 5 20 IIBD Cc1cc(O[C@@H](C)C(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)ccc1Cl 750434760 YOHVKYONAVXBEI-HNNXBMFYSA-N 433.892 4.179 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 750576540 DZBJARQMCNUIBI-WMZOPIPTSA-N 446.548 4.103 5 20 IIBD Cc1ccc(N(C)C(=O)c2ccc(OS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)cc1 751216263 FEZLFKJWURXLEU-UHFFFAOYSA-N 440.477 4.256 5 20 IIBD CC(C)Cn1ncnc1COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 754435576 ZELOJGXFKWYFFH-UHFFFAOYSA-N 442.859 4.084 5 20 IIBD CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 755369289 DKEZFONYYREBJO-QGZVFWFLSA-N 430.258 4.260 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N1CCCCC1=O 755369904 KCKOGEFZZCZHQD-GOSISDBHSA-N 432.274 4.050 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)OCc1nc(-c2cccc(Br)c2)no1 756526430 JVWYSTDJQJIUHH-UHFFFAOYSA-N 432.230 4.083 5 20 IIBD C[C@@H]1C[C@H](CCNC(=O)c2cccc([N+](=O)[O-])c2Br)CN1Cc1ccccc1 758860545 DHLKRAJNQOQKBV-WBVHZDCISA-N 446.345 4.388 5 20 IIBD COC(=O)c1sc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)nc1C1CC1 760090463 MKXBIMGGRJZQSF-UHFFFAOYSA-N 444.513 4.204 5 20 IIBD Cc1nn(C)c(C)c1[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)C(F)(F)F 760768056 WHZNCQXYUZTGBA-ZDUSSCGKSA-N 436.184 4.168 5 20 IIBD O=C(OCCn1cc([N+](=O)[O-])ccc1=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1 761404598 FFLVSRNWDYIEDY-HXUWFJFHSA-N 446.431 4.112 5 20 IIBD CC(C)(C)OC(=O)N1CCC(c2noc(CCCNc3ccc([N+](=O)[O-])cc3)n2)CC1 761760395 PSUJGBQNNAXWAU-UHFFFAOYSA-N 431.493 4.137 5 20 IIBD O=C(OCc1nc(-c2ccc(Br)s2)no1)c1ccc([N+](=O)[O-])c(Cl)c1 763716070 KLSMXFFVIRZNLV-UHFFFAOYSA-N 444.650 4.479 5 20 IIBD C[C@H](OC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1nc2cc(C(F)(F)F)ccc2n1C 764541925 YILSKPLLDZNADZ-NSHDSACASA-N 447.373 4.154 5 20 IIBD CCOc1cc(NC(=O)NC[C@](C)(O)c2ccccc2Cl)c([N+](=O)[O-])cc1OCC 765112922 IPVWWYMKDUXJBB-FQEVSTJZSA-N 437.880 4.075 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC(O)(c2ccccc2Cl)CC1 765600747 NVGFLSVCKCDWEP-UHFFFAOYSA-N 446.934 4.318 5 20 IIBD CCN1C/C(=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2nc3ccccc3c(C(=O)O)c2C1 766033211 IJGQGIAEHIMWOX-ZROIWOOFSA-N 434.408 4.126 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)O[C@H]1CCOC[C@H]1OCc1ccccc1 767013085 XLMRRSIUGRNEOR-LOSJGSFVSA-N 443.499 4.072 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cncc(-c2cccc(C)c2)c1 768677498 WMMHNTGRKTZQKU-HNNXBMFYSA-N 435.436 4.158 5 20 IIBD O=C(c1ccc(-n2cnc3ccccc32)nc1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 768984253 RDFZCCMDRCSKPM-JOCHJYFZSA-N 431.477 4.217 5 20 IIBD CC(C)NC(=O)c1ccc(N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1 769917818 IVVRAUFSHWBXOM-UHFFFAOYSA-N 448.564 4.206 5 20 IIBD COc1ccc(C2(c3noc(Cn4ncc5ccc([N+](=O)[O-])cc54)n3)CCCC2)cc1OC 771610497 PEOVQKAADQUVBT-UHFFFAOYSA-N 449.467 4.253 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N(Cc1cccc([N+](=O)[O-])c1)C1CC1 772401765 AGYOUFFXOWDOSG-UHFFFAOYSA-N 426.248 4.132 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NS(=O)(=O)C1=Cc2ccccc2CC1 775240519 GNHXYYNQTOWUIK-UHFFFAOYSA-N 432.523 4.142 5 20 IIBD O=C(NCCCC(=O)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])NC1CCCCC1 776136662 KXULHWCMZMXELE-JOCHJYFZSA-N 440.500 4.035 5 20 IIBD COc1cc2c(cc1OC)[C@H](c1cccs1)N(C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 776270936 GLQKVZYOAXRRKY-WMZHIEFXSA-N 440.521 4.355 5 20 IIBD O=C(OCc1csc(-c2ccccc2F)n1)c1cccc([N+](=O)[O-])c1N1CCOCC1 776446289 ABLINWSTJNEKKI-UHFFFAOYSA-N 443.456 4.051 5 20 IIBD Cc1nn(-c2ccccc2)c2ncc(C(=O)O[C@@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)cc12 778322065 ZAKUOQUSIKXUMV-WOJBJXKFSA-N 446.467 4.174 5 20 IIBD COc1cc(COC(=O)c2cnc3ccc(F)cc3c2)c([N+](=O)[O-])cc1OCC(F)F 780077971 YHVRVLHLLNXBAC-UHFFFAOYSA-N 436.342 4.292 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 780685110 WDDIKSKZAUFIPH-KRWDZBQOSA-N 432.521 4.058 5 20 IIBD Cn1cc(CCNC(=O)c2cc([N+](=O)[O-])ccc2Br)c2ccc(Cl)cc21 781068099 PAOBTRMINRBOPR-UHFFFAOYSA-N 436.693 4.475 5 20 IIBD O=C(Cc1cncs1)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 782357417 MIMSDPJXQLROHT-SFHVURJKSA-N 431.857 4.170 5 20 IIBD CC(C)(C)OC(=O)NC1(CC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCC1 785381146 JESWIHLQTDMEIS-UHFFFAOYSA-N 431.411 4.067 5 20 IIBD Cc1c(CNC(=O)NCc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)cccc1[N+](=O)[O-] 790506051 AVEUPUOAKOHCLV-UHFFFAOYSA-N 440.500 4.153 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)c1[N+](=O)[O-] 790633922 JTOLZEBAZUTWPM-UHFFFAOYSA-N 439.465 4.499 5 20 IIBD COc1ccccc1-c1csc(C2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC2)n1 791946662 BXWZKUJCMSWDNO-UHFFFAOYSA-N 438.509 4.329 5 20 IIBD CC1(C)CC(=O)c2cc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)ccc2O1 795277340 CWAMFEXXSNMMNF-UHFFFAOYSA-N 445.371 4.125 5 20 IIBD CCOc1ccc(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1S(=O)(=O)N(C)C 796401689 JTNRYIWMXKXEOF-UHFFFAOYSA-N 445.497 4.116 5 20 IIBD O=C(c1cc([N+](=O)[O-])c2nsnc2c1)N1CCC(c2cccc(Br)c2)CC1 799086602 CYEGKLCFNXOJAC-UHFFFAOYSA-N 447.314 4.382 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H](C)[C@H](C)c1ccccc1C(F)(F)F 800620776 BWGXNXZRROSQHW-JQWIXIFHSA-N 441.381 4.308 5 20 IIBD O=C(c1cccnc1SC(F)F)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 803545850 OYNWKEKTNIXQOW-UHFFFAOYSA-N 444.257 4.266 5 20 IIBD CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 804175566 WUOYOBQGLAQDQA-UHFFFAOYSA-N 437.418 4.408 5 20 IIBD Cc1cccn(Cc2c(F)cccc2NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c1=O 808868878 DQTKYFHATKZHJI-UHFFFAOYSA-N 444.850 4.227 5 20 IIBD C[C@@H](c1cccc([N+](=O)[O-])c1)c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 809429021 OEQGREAJZQTODN-JTQLQIEISA-N 433.218 4.391 5 20 IIBD O=C(COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1ccc(C(F)(F)F)nc1Cl 811065715 GIYKMZOWGSSBBS-UHFFFAOYSA-N 427.722 4.183 5 20 IIBD NC(=O)[C@H]1CCCN(Cc2ccc(NCc3cc(Cl)cc(Cl)c3[N+](=O)[O-])cc2)C1 811470605 HKTLVTJCVFJOMH-AWEZNQCLSA-N 437.327 4.211 5 20 IIBD O=C(NC[C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1)C(F)(F)F 811514271 GOAHHPSMDKAWSI-GFCCVEGCSA-N 445.825 4.399 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 811533179 JFRNOLKYHQZQIN-MRXNPFEDSA-N 430.766 4.361 5 20 IIBD CN(Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 812834564 SZCVYUQHEXJMML-MRXNPFEDSA-N 428.327 4.092 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1ccc(I)c([N+](=O)[O-])c1 813245073 FLIOIOGEHDAOJO-UHFFFAOYSA-N 447.572 4.013 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 813654666 UTONHMIALGXUPC-LJQANCHMSA-N 446.548 4.006 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC12CCC2 813798414 CCEBSWONGGWGLJ-MRXNPFEDSA-N 446.548 4.451 5 20 IIBD COc1c(C(=O)N2CCC[C@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cccc1[N+](=O)[O-] 814426970 BQAXCDNFNCEMTM-DLBZAZTESA-N 447.532 4.103 5 20 IIBD C[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 816795337 AZNRTKSKMIQJBO-INIZCTEOSA-N 437.540 4.495 5 20 IIBD O=C(CSc1nnc(-c2ccc(OC(F)F)cc2)o1)Nc1cc([N+](=O)[O-])ccc1F 849205363 BFSSGXKRNWTOLF-UHFFFAOYSA-N 440.359 4.116 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(Cl)ccc1Br 913344025 FWHVQDQDVMPLOQ-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD O=C(COC(=O)/C=C/c1ccccc1OC(F)(F)F)Nc1cc(Cl)ccc1[N+](=O)[O-] 914938521 UAHXLZBHBBGZLZ-VMPITWQZSA-N 444.749 4.342 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cc2cc([N+](=O)[O-])ccc2o1 916128278 TVRQPUJYUVMFEB-UHFFFAOYSA-N 438.318 4.110 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)cc1[N+](=O)[O-] 916565592 KDKIJYJNRMIFRZ-UHFFFAOYSA-N 427.413 4.125 5 20 IIBD CNc1ccc(C(=O)OCc2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1[N+](=O)[O-] 918825519 WOZUFAXFWRXXDX-UHFFFAOYSA-N 440.481 4.443 5 20 IIBD Cc1ccc(NC(=O)COC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)c1 919210723 IMGCNDCVBHJGBV-UHFFFAOYSA-N 433.214 4.207 5 20 IIBD Cc1cc(C(=O)OCC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)cc([N+](=O)[O-])c1 920906532 YTQHQVVVMDXCDZ-HSZRJFAPSA-N 430.460 4.234 5 20 IIBD Cc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cs1 1115893930 JLSDSURXMRJAQA-UHFFFAOYSA-N 435.914 4.432 5 20 IIBD O=C(Nc1nc(-c2c[nH]c3ccccc23)cs1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 1318373545 YFNWTTVOWFKDRZ-UHFFFAOYSA-N 431.437 4.033 5 20 IIBD COCC[C@H](Cc1cccc(Br)c1)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 1318867350 YFJHJBSVUZORGY-OAHLLOKOSA-N 433.302 4.095 5 20 IIBD O=C(NCc1ccc(NC(=O)C2CC2)cc1)Nc1ccc(Br)c([N+](=O)[O-])c1 1319481750 PIFBDUJQTNBIPN-UHFFFAOYSA-N 433.262 4.028 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3cccs3)cc2)CCC1)c1cc(O)cc([N+](=O)[O-])c1 1787276898 VMPKDSNEKVYOCZ-UHFFFAOYSA-N 437.477 4.423 5 20 IIBD CC1(C)CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(F)c3[N+](=O)[O-])n[nH]2)C1 1821175192 WYEJOEAYWXYEHQ-QGZVFWFLSA-N 443.479 4.199 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(C)C)[nH]n1 1821345542 MXKCPWPRNRFNMP-QGZVFWFLSA-N 443.504 4.074 5 20 IIBD Cc1cccc(C(=O)N2CCCC23CN(C(=O)c2cc4cc([N+](=O)[O-])ccc4s2)C3)c1 1844921274 ADXRRHUTVNCRRA-UHFFFAOYSA-N 435.505 4.249 5 20 IIBD COc1ccc2cc(C(=O)O[C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c(C)nc2c1 10726504 JXOVZOJFGHBCMC-ZDUSSCGKSA-N 434.408 4.428 5 20 IIBD CCOc1ccc(CCC2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC2)cc1 10994081 YYWOFSRIFDYQKO-UHFFFAOYSA-N 427.457 4.387 5 20 IIBD O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 14583291 JIEMCAOYXWZPLV-UHFFFAOYSA-N 438.465 4.316 5 20 IIBD COc1ccc(CNC(=O)[C@@H](C)Sc2nc3ccc([N+](=O)[O-])cc3s2)cc1OC 16054219 HVDFXEKYCGQFPC-LLVKDONJSA-N 433.511 4.019 5 20 IIBD C[C@@H](OC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1C(F)(F)F 16925968 HDBXWVZURSVCCC-LLVKDONJSA-N 437.374 4.372 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1nc2ccc(Cl)cc2s1 18080321 WPSIIGBMZODNHS-UHFFFAOYSA-N 432.845 4.185 5 20 IIBD COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 25374956 ONDOCYSDPMSIMP-CHWSQXEVSA-N 428.466 4.241 5 20 IIBD Cc1csc(N2CCN(C(=O)c3ccc(SCCC(C)C)c([N+](=O)[O-])c3)CC2)n1 27773824 OBROQVAODFMMJK-UHFFFAOYSA-N 434.587 4.460 5 20 IIBD C[C@H]1CCC[C@@H](N(C)C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 29998033 FJJFMSIGIXQUST-MAUKXSAKSA-N 431.514 4.046 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCc2sccc2[C@@H]1c1cccs1 32407964 QARGHXPYQGPSLN-GOSISDBHSA-N 436.536 4.063 5 20 IIBD COc1cc(CCNC(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)c([N+](=O)[O-])cc1OC 46747095 ZSHZGGGPBMQSNV-LLVKDONJSA-N 443.283 4.045 5 20 IIBD COC(=O)[C@H](C)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2 58062176 NZVARMPMQNMFFM-JEFCNZTNSA-N 445.475 4.311 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@@H](c3nc4ccccc4[nH]3)C(C)C)cc2)c(C)c1[N+](=O)[O-] 60953372 RWVFXOWUUDUSIL-OAQYLSRUSA-N 446.511 4.460 5 20 IIBD O=C(c1cc(NC[C@H]2CCCN(Cc3cccs3)C2)ccc1[N+](=O)[O-])N1CCCC1 64550802 UWKWPIYJJUQUKS-QGZVFWFLSA-N 428.558 4.216 5 20 IIBD O=C1C[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)c2ccc(F)cc2N1 97076246 CWJPBBWIUQHWJY-KRWDZBQOSA-N 433.395 4.029 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)c1ccccc1[N+](=O)[O-] 105863862 BPYDNMVLMUPBKZ-PBHICJAKSA-N 434.876 4.215 5 20 IIBD CCCN(CC(F)F)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 109640990 RFBLTNHWOZYAAL-UHFFFAOYSA-N 428.439 4.494 5 20 IIBD CCN(CC)c1ccc(-c2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2C)cc1 216806393 POGZUEMUOJCQRA-UHFFFAOYSA-N 425.514 4.212 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NC[C@H](O)c2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])c1 301303794 XAUYXYKMCKOQJE-KRWDZBQOSA-N 435.267 4.012 5 20 IIBD O=c1c(Cl)c(NC[C@@H](O)c2cc3ccccc3s2)cnn1-c1ccc([N+](=O)[O-])cc1 301632778 URWPBSTUWSKTLJ-MRXNPFEDSA-N 442.884 4.154 5 20 IIBD O=[N+]([O-])c1cnc(Nc2cnn(-c3ncc(Cl)cc3Cl)c2)c(Br)c1 301678004 DGWNKESNPVWOJU-UHFFFAOYSA-N 430.049 4.383 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1 303649862 TXFBWYLYOQBAFY-MUUNZHRXSA-N 430.507 4.012 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCc2sccc2[C@H]1c1cccs1 429810189 TUUTVBZEVNTPJA-IBGZPJMESA-N 441.534 4.447 5 20 IIBD C[C@H]1CCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC[S@]1=O 430346920 YYGXETXKVUDQNK-CFJPQMKISA-N 438.958 4.383 5 20 IIBD C[C@@H](NC(=O)N(CCn1ccnc1)Cc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 430420311 AQVBZPLUJHKGSP-MRXNPFEDSA-N 427.892 4.418 5 20 IIBD COc1ccc(C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)cc1[N+](=O)[O-] 431906233 ZZAOJEDIRRWQJW-UHFFFAOYSA-N 445.229 4.201 5 20 IIBD O=C(NC1CC1)c1ccc(CN(Cc2ccco2)c2ncc(Cl)cc2[N+](=O)[O-])cc1 434948881 XSYZFCILYFNIKG-UHFFFAOYSA-N 426.860 4.335 5 20 IIBD Cc1cc(C)c(NC(=O)CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c(C)c1 435829506 ZUQKASWDRCHTOE-UHFFFAOYSA-N 449.457 4.253 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 436798446 TXYMPVDYXSAXSW-UHFFFAOYSA-N 425.268 4.429 5 20 IIBD CCc1nsc(N2CCN(C(=O)c3ccc(SCCC(C)C)c([N+](=O)[O-])c3)CC2)n1 437192766 DHXJHWWTTNQYFC-UHFFFAOYSA-N 449.602 4.109 5 20 IIBD C[C@@H]1CN(c2ccccc2NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@@H](C)O1 445820820 UWDJDVVBLDDPOH-ZIAGYGMSSA-N 448.317 4.152 5 20 IIBD CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])C1 446424196 BHZQYBFWEUIVNE-IEBWSBKVSA-N 439.512 4.397 5 20 IIBD C[C@H]1C[C@@H](c2cccc(F)c2)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 447015106 FIYMNPITYBIXEI-ZBEGNZNMSA-N 443.294 4.268 5 20 IIBD COc1ccc(CN(C)C(=O)CSc2ccc(Br)cc2[N+](=O)[O-])cc1F 447346611 FZMROINIEWFGBZ-UHFFFAOYSA-N 443.294 4.256 5 20 IIBD Cc1ccc(N[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1NC(=O)CN1CCCCC1 447603138 WVIISZTVLZUOSB-PZJWPPBQSA-N 440.548 4.120 5 20 IIBD O=C(CCCNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])N1Cc2ccccc2C1 447688177 GGMRFTMCDLBVAE-UHFFFAOYSA-N 444.360 4.378 5 20 IIBD O=C(c1ccc(Sc2ccccc2Cl)nn1)N1CCOc2ccc([N+](=O)[O-])cc2C1 461399853 HBELHUFHSWWTAM-UHFFFAOYSA-N 442.884 4.224 5 20 IIBD O=C(CNc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)NCCc1c(F)cccc1F 462228142 NCDKVRSZCXGEPM-UHFFFAOYSA-N 427.407 4.436 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCCc2c([nH]c3c(F)cccc23)C1 467788567 MZCGMXDGJSGHSW-UHFFFAOYSA-N 436.487 4.407 5 20 IIBD COC[C@@H](C)Oc1ccc(Cl)cc1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 468346827 FVNPVUUPLNFQKM-SNVBAGLBSA-N 435.285 4.116 5 20 IIBD COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 470372404 DSIWDPVFBFCUNV-ZDUSSCGKSA-N 430.848 4.100 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(Br)c(OC)cc1OC 471160728 NWOVVDZTNOBCNP-UHFFFAOYSA-N 425.235 4.026 5 20 IIBD COCCOc1cc(OC)ccc1C(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 472815414 QWNWMZNHVMZCGI-UHFFFAOYSA-N 443.481 4.313 5 20 IIBD COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1cccc([N+](=O)[O-])c1OC)CC2 474427744 PQLMIIZXAPUBHP-HSZRJFAPSA-N 448.475 4.409 5 20 IIBD C[C@@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Br)cn1 475226925 ASPCBPPGPZEMDG-CYBMUJFWSA-N 449.305 4.066 5 20 IIBD COc1cc(N[C@@H]2CCCN(C(=O)c3cc(SC)ccc3[N+](=O)[O-])C2)cc(OC)c1 475736471 ZISHUFQSJBXBSR-CQSZACIVSA-N 431.514 4.051 5 20 IIBD COc1cccc(C2=CCN(C(=O)CSCc3ccc(OC)c([N+](=O)[O-])c3)CC2)c1 476181060 ZYHZLQPEXREZFQ-UHFFFAOYSA-N 428.510 4.161 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1NCc1cc2ccccc2[nH]1 477621725 ILVPIWHECLIMIU-UHFFFAOYSA-N 428.514 4.253 5 20 IIBD COc1cc(C(=O)N2CCO[C@H](c3ccc(Br)cc3)[C@H]2C)cc([N+](=O)[O-])c1C 478840556 SOOGUIHSRODXTN-YJYMSZOUSA-N 449.301 4.277 5 20 IIBD COc1ccc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1OCc1cccnc1 479640679 QKNNFEWXJQEJNE-UHFFFAOYSA-N 445.435 4.015 5 20 IIBD CCOc1cc(N2CCN([C@@H](C)c3nnc(-c4ccc(C)cc4)o3)CC2)ccc1[N+](=O)[O-] 481760925 LRDHNAAIHUMHFL-KRWDZBQOSA-N 437.500 4.235 5 20 IIBD CCOc1cc(NC(=O)C(=O)N[C@H](C)[C@@H](C)C2CCCCC2)c([N+](=O)[O-])cc1OCC 484097066 QJYUFKVXUYAGLC-HUUCEWRRSA-N 435.521 4.052 5 20 IIBD CSc1cccc(C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)c1[N+](=O)[O-] 485745634 YKPXIEGXXBYIJG-UHFFFAOYSA-N 429.885 4.432 5 20 IIBD Cc1cc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])nn1-c1cccc(F)c1 486129582 YRDRZIKEMBSBEB-UHFFFAOYSA-N 425.239 4.304 5 20 IIBD O=C(NCCCNC(=O)c1cccs1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 487313105 AFYYMBNJCZZURY-UHFFFAOYSA-N 441.534 4.357 5 20 IIBD Cc1cc(C(=O)Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)c(C)n1CCc1ccccc1 487866581 HERHSTUPEROGNI-UHFFFAOYSA-N 429.476 4.454 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 488193920 CFWBWNKDBHPFOY-UHFFFAOYSA-N 431.514 4.114 5 20 IIBD O=C(Nc1ccc(Oc2cccc(F)c2F)nc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 488222563 RWGSSRYQTNPYSA-UHFFFAOYSA-N 437.362 4.498 5 20 IIBD CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 488410774 MHIGARHZQNPBTI-UHFFFAOYSA-N 444.438 4.302 5 20 IIBD CCn1c(SCC(=O)c2cccc(OC(F)F)c2)nnc1-c1ccc([N+](=O)[O-])cc1 489429014 DLNAKMIUQIEWTH-UHFFFAOYSA-N 434.424 4.450 5 20 IIBD Cc1cc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)ccc1NC(=O)c1ccco1 490111376 IWGINLMKKASZBD-UHFFFAOYSA-N 431.408 4.187 5 20 IIBD CC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c(C(F)(F)F)c1 498236090 FHQVJFFFQPIWOH-UHFFFAOYSA-N 433.289 4.426 5 20 IIBD O=C(Nc1ccc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cc1)c1ccccc1 499050536 AWLOEHRFKIIQOO-UHFFFAOYSA-N 427.420 4.490 5 20 IIBD C[C@@H](c1ccccc1Cl)N(C)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 499216317 SKZBPDUAOPYWRO-LBPRGKRZSA-N 431.905 4.361 5 20 IIBD CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)n1cc(-c2ccc([N+](=O)[O-])cc2)cn1 504545205 DTCMVZRGLLKXGX-ZDUSSCGKSA-N 442.497 4.459 5 20 IIBD Cc1ccc([C@H](NCc2c(F)cc([N+](=O)[O-])cc2F)c2cccc(S(C)(=O)=O)c2)cc1 506294470 KVWZMRXHBXCDLC-QFIPXVFZSA-N 446.475 4.464 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@H](c1c[nH]c2ccccc12)C(F)(F)F 508111515 VOZBUGWMCPGNRT-OAHLLOKOSA-N 433.795 4.311 5 20 IIBD Cc1ccc([C@H](NC(=O)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)c2cccs2)cc1 508511329 NKLBDMFTWFXRGK-NRFANRHFSA-N 433.493 4.129 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CCc2sccc2[C@@H]1C 509116376 AFKFQTGSVJBSHN-JTQLQIEISA-N 442.278 4.329 5 20 IIBD O=C(CN[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 511621462 DRIKZINXRNDGSB-HXUWFJFHSA-N 435.402 4.123 5 20 IIBD O=C(Nc1ccc(-c2ccc(Cl)s2)nc1)c1cccc([N+](=O)[O-])c1N1CCOCC1 512870221 HDZQCYQBKIDGKP-UHFFFAOYSA-N 444.900 4.461 5 20 IIBD Cn1cnnc1-c1cncc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)c1 514044099 DWWRCNDOBCXDFG-UHFFFAOYSA-N 432.465 4.189 5 20 IIBD O=[N+]([O-])c1c(NCC2(c3cccc(Br)c3)CCOCC2)nc2sccn12 515554973 ISVBSHGIBXJAKP-UHFFFAOYSA-N 437.319 4.227 5 20 IIBD COc1cc(C(=O)Nc2nc(C)c(Cc3cccc(F)c3)s2)c([N+](=O)[O-])cc1OC 515634550 GNEXYYJKHARGIZ-UHFFFAOYSA-N 431.445 4.359 5 20 IIBD CN(C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Br)cn1 515680419 MSZGFFYRZYWNKN-UHFFFAOYSA-N 447.211 4.236 5 20 IIBD COc1ccccc1Oc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)cc1 515692656 GKHNOBAMANFFCZ-UHFFFAOYSA-N 430.438 4.205 5 20 IIBD C[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccccc2)c1 516168174 AOIJMXBYAHUDMF-KRWDZBQOSA-N 432.480 4.450 5 20 IIBD C[C@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)no1 516378434 KYDJTTIPVJBDHX-RYUDHWBXSA-N 445.273 4.388 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)cccc1[N+](=O)[O-] 516483426 NCFYZYGHOTZROS-GOSISDBHSA-N 446.301 4.262 5 20 IIBD CC(C)(C)c1cc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)n(-c2ncccn2)n1 518195481 LWZDYBLDHUNSOM-UHFFFAOYSA-N 449.496 4.244 5 20 IIBD O=C(Nc1ccc(F)cc1)[C@H]1CCc2ccccc2N1C(=O)c1cc(F)cc([N+](=O)[O-])c1 518282678 JUIWBUZIYGTLER-OAQYLSRUSA-N 437.402 4.473 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC(Nc2ccc(F)cc2)CC1 518643093 GNIQJUDGDSNWIU-UHFFFAOYSA-N 429.495 4.397 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCC(C)(C)N[C@H](C)c3ccccc3)cc2)c(C)c1[N+](=O)[O-] 520980774 WGAUJLGRSZYBMB-QGZVFWFLSA-N 449.555 4.316 5 20 IIBD CCCOc1c(Cl)cc(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2)cc1OCC 522871385 QCWHHAQZWNTJLU-UHFFFAOYSA-N 436.848 4.475 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)N[C@H](CC2CCCCC2)c2ccccc2)cc1[N+](=O)[O-] 523849645 YQEKRHRPBDUGAZ-LJQANCHMSA-N 430.526 4.440 5 20 IIBD C[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccncc2)cs1 523951645 AMGSMWUWBDFGHN-LBPRGKRZSA-N 432.889 4.413 5 20 IIBD C[C@@H](NC(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1)c1cccc([N+](=O)[O-])c1 524211180 GXYPELSKAQKSEK-PBHICJAKSA-N 439.447 4.434 5 20 IIBD O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 525589674 FAKIMFRZHDHNRF-UHFFFAOYSA-N 436.295 4.321 5 20 IIBD Cc1cc(-c2ncccc2NC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cs1 527340288 WNIQASRIXZPYME-UHFFFAOYSA-N 447.476 4.133 5 20 IIBD COc1cc(C(=O)N[C@H](C)Cc2nc3ccccc3s2)c([N+](=O)[O-])cc1OC(F)F 531929527 RXKOYUGDUWRVGW-SNVBAGLBSA-N 437.424 4.176 5 20 IIBD O=C(c1ccc(-n2cc(Br)cn2)cc1)N1CCCc2c1cccc2[N+](=O)[O-] 533122482 SULHMDSBWSITKG-UHFFFAOYSA-N 427.258 4.136 5 20 IIBD Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 534624093 COLASFSHEMBQEE-UHFFFAOYSA-N 434.496 4.438 5 20 IIBD O=C(Nc1ccnn1Cc1cccc(Br)c1)c1c[nH]c2cccc([N+](=O)[O-])c12 534959423 HYSHFFPSWFZISI-UHFFFAOYSA-N 440.257 4.336 5 20 IIBD CN(C(=O)Cc1ccc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 535486300 LINDRIUNDCKLDQ-UHFFFAOYSA-N 432.480 4.165 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)c(Cl)cn1 535664501 APOFPYRTBHGXDS-UHFFFAOYSA-N 430.269 4.204 5 20 IIBD COc1cc(OC)cc(N2CC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)C2)c1 537156486 MIGASAAPHGBNNL-HNNXBMFYSA-N 445.541 4.121 5 20 IIBD C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H]3CCO[C@@H]3c3ccc(F)c(F)c3)cc2[N+](=O)[O-])C1 537313840 JIYWFEMJGZMZBI-JSVDNDDVSA-N 445.466 4.369 5 20 IIBD O=C(N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 540544525 UIIMUKPDSMNCQO-FUHWJXTLSA-N 431.420 4.257 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] 541657157 JNJYTAVZDGKFHK-CXAGYDPISA-N 431.489 4.256 5 20 IIBD CCOc1c(Br)cc(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1OC 541998748 GBGONCDHNAZWMK-UHFFFAOYSA-N 425.235 4.026 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H](c2nnc3n2CCCCC3)C1 542336321 UKZXMHWOMYQIJL-AWEZNQCLSA-N 449.964 4.064 5 20 IIBD O=C(c1c(Cl)cccc1Cl)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 542772751 CDICIUVYFQILQX-UHFFFAOYSA-N 434.283 4.130 5 20 IIBD COc1ccc(NC(=O)C(=O)NC(c2ccccc2C)c2ccccc2C)cc1[N+](=O)[O-] 545495139 CNDHBYJYKNHVMQ-UHFFFAOYSA-N 433.464 4.065 5 20 IIBD Cn1c(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)nc2cc(Cl)ccc21 548320108 KGHIJKWFBMMVGD-UHFFFAOYSA-N 425.779 4.058 5 20 IIBD O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CCC[C@H]1c1ncon1 552180415 RVVHCWYDBNRAKV-KRWDZBQOSA-N 427.848 4.221 5 20 IIBD Cc1cc(CN[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)no1 552849440 MKRFNKYYCPIGGT-GOSISDBHSA-N 445.273 4.123 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 553457175 LCXXKLSICRLBKD-ZBFHGGJFSA-N 432.502 4.006 5 20 IIBD COc1ccc([C@@H](OC)[C@H](C)NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1 555930440 NGMZYQIWVHHTKS-SGTLLEGYSA-N 437.290 4.180 5 20 IIBD O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N(Cc1ccc(F)cc1Cl)CC1CC1 560993238 LPHUTWIQXYPCBW-UHFFFAOYSA-N 429.839 4.020 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC(C)(CC(C)C)CC1 564537013 MDALHUWISRPWGX-IBGZPJMESA-N 435.590 4.121 5 20 IIBD CCC[C@H](NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C)c1cccc(C(F)(F)F)c1 568896381 VGSUXSMAWUPSKE-KRWDZBQOSA-N 437.418 4.196 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN3CCCC[C@@H]3c3nnc([C@H]4CCCO4)o3)o2)c1 569836514 SEDHKSXLGHFKMP-QZTJIDSGSA-N 439.472 4.254 5 20 IIBD CN(Cc1cnn(C)c1)C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 571243241 HHLVPOGHECTMOC-UHFFFAOYSA-N 447.854 4.255 5 20 IIBD COCc1nc(Cc2noc(-c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)n2)cs1 579163127 URGNXLONTLKFFB-UHFFFAOYSA-N 437.481 4.451 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCCN(Cc3ccccc3)C2)cc1OC 580922976 IBPYYBKDDYIVDW-IBGZPJMESA-N 441.528 4.034 5 20 IIBD O=C(NC[C@@H](CO)Cc1ccncc1Cl)c1cc([N+](=O)[O-])ccc1SC1CCCC1 590341131 AJFAQTITEXEZDI-AWEZNQCLSA-N 449.960 4.259 5 20 IIBD Cc1c(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)nnn1-c1cccc([N+](=O)[O-])c1 591721792 NBJOOGUQTWTIMO-QGZVFWFLSA-N 434.481 4.071 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 603500724 SDHKIWVNMHZCNO-UHFFFAOYSA-N 439.493 4.289 5 20 IIBD CCCC(=O)NC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 603744122 PYMUSIKIMZUUCH-UHFFFAOYSA-N 427.526 4.267 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)cc1[N+](=O)[O-] 603746379 BCOUTLQWHLSWOB-UHFFFAOYSA-N 444.444 4.487 5 20 IIBD CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 603941686 PCMDSTXBPBXXKH-UHFFFAOYSA-N 444.831 4.079 5 20 IIBD C[C@@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 603982271 CNFUXJVRJLMAIK-CYBMUJFWSA-N 437.905 4.064 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 604447090 LQPHODWQQFRSPF-PBHICJAKSA-N 434.876 4.215 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)cc1OC 608809319 BOMCVUKGPLBJCG-UKRRQHHQSA-N 435.274 4.051 5 20 IIBD COc1cc([C@H](C)NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)ccc1OC(C)C 609548313 VRJUYRBIKGONKF-ZDUSSCGKSA-N 425.441 4.135 5 20 IIBD Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])o1 609978242 FJVZIPJJSYYMNE-SFHVURJKSA-N 442.859 4.035 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1 619467108 OCWRJEDOGJKLLQ-UHFFFAOYSA-N 442.428 4.087 5 20 IIBD CC(C)CNC(=O)c1cccc(COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 727510705 RNFQQROZBRRFKQ-UHFFFAOYSA-N 442.515 4.284 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)[C@@H]1CCCCN1C(=O)c1ccccc1 729115475 TYSFKCQMMZSFNU-FQEVSTJZSA-N 426.469 4.120 5 20 IIBD COc1cc(OCC(=O)Oc2ccc(NC(=O)c3sccc3C)cc2)ccc1[N+](=O)[O-] 729216052 GUPLLIIUBPPGPF-UHFFFAOYSA-N 442.449 4.210 5 20 IIBD O=C(OCc1nnc(-c2cccc(Cl)c2)o1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 730293607 OLJXMFHUTHWGJM-UHFFFAOYSA-N 428.832 4.255 5 20 IIBD COc1cc(Cl)c(C(=O)COC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1OC 731503326 BJTSZCRVXNOSTD-NSHDSACASA-N 439.873 4.172 5 20 IIBD CCc1ccc(OC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)c([N+](=O)[O-])c1 734739865 MSXXOOXCHQTSLS-UHFFFAOYSA-N 425.462 4.350 5 20 IIBD Cc1c(C(=O)Nc2cccc(CSC3CCOCC3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 734803213 WQCPCEYQZGOXRQ-UHFFFAOYSA-N 431.470 4.476 5 20 IIBD C[C@H](OC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1 735147655 HAQSXYGYZQLAEM-NSHDSACASA-N 427.240 4.241 5 20 IIBD CC(C)[C@H](OC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)C(=O)Nc1ccc2c(c1)CCC2 735354951 ZFHBSYKPZKJVIC-QFIPXVFZSA-N 449.463 4.157 5 20 IIBD O=C(Nc1cc(F)ccc1SCC(F)F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 738954586 JEXVGDDGVTXNGN-UHFFFAOYSA-N 440.447 4.445 5 20 IIBD CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 740394895 NTRIPJXKJSLGEA-UHFFFAOYSA-N 439.295 4.381 5 20 IIBD CCO[C@@H]1C[C@@H](Nc2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])C12CCC2 741749209 OUWQZYIFTSMODZ-VXGBXAGGSA-N 430.255 4.034 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)O[C@H](C)C(=O)NC(C)(C)C)cc1[N+](=O)[O-] 741830615 OJTRSXUDJHQVFE-CYBMUJFWSA-N 444.509 4.008 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1cccnc1S[C@@H](C)C(=O)N1CCCC1 741935074 UEXBXQNZGFVPEE-ZDUSSCGKSA-N 448.932 4.307 5 20 IIBD Cc1cnc(N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)c([N+](=O)[O-])c1 742430086 RKYKPAZQZLCCFR-UHFFFAOYSA-N 439.497 4.257 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1I)N(Cc1ccccc1)CC(F)F 742917395 OIZWMOGUFDVSTP-UHFFFAOYSA-N 446.191 4.107 5 20 IIBD C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CCN1Cc1ccccc1 742962619 NPAUDROANQGNAN-FQEVSTJZSA-N 436.556 4.322 5 20 IIBD O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1csc(-c2ccc3c(c2)OCCO3)n1 746076091 LFHPOHBXNZMHGO-UHFFFAOYSA-N 432.841 4.500 5 20 IIBD O=[N+]([O-])c1cccc(Br)c1OS(=O)(=O)c1ccc2nc(Cl)sc2c1 746675364 UEQSRPUBZDCNJJ-UHFFFAOYSA-N 449.691 4.388 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)c1 748539985 DELLPTDPFNABMX-MRXNPFEDSA-N 434.823 4.150 5 20 IIBD Cc1c(C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748632999 GRUXGJQQNIYHDW-UHFFFAOYSA-N 440.387 4.376 5 20 IIBD C[C@H](OC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O)c1ccccc1[N+](=O)[O-] 749059986 UOWJRTGYSZMJTD-AWEZNQCLSA-N 435.461 4.338 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@@H](C)c1nc2ccccc2n1C(F)F 749263311 UFWUPGRLANTMKI-VIFPVBQESA-N 435.343 4.208 5 20 IIBD CN(C)[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1ccc(F)cc1 749568352 KGTRVVRKWKQCLP-HNNXBMFYSA-N 444.688 4.183 5 20 IIBD CSc1nc(-c2ccco2)nc(C)c1C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1 751642640 JLECWJUHSIQMGM-UHFFFAOYSA-N 426.410 4.173 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H](O)c1ccccc1C(F)(F)F 752560060 LXDNVPQJUDTVER-CQSZACIVSA-N 434.823 4.209 5 20 IIBD CC(C)OCc1cc(NC(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2O)ccc1O 752979804 IMNSBLKRFYASOP-UHFFFAOYSA-N 446.847 4.022 5 20 IIBD Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 752991093 YBJNVJFBJWAJGI-UHFFFAOYSA-N 448.262 4.495 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)OC[C@@H]3CC(=O)N(C4CC4)C3)cc2[N+](=O)[O-])cc1 754761439 BAIGVLDJIPMJTH-OAHLLOKOSA-N 426.494 4.222 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)N1CCC[C@@H]1c1cccs1 754985081 ROUQNZIMAWCRIY-QMTHXVAHSA-N 426.853 4.358 5 20 IIBD C[C@@H](C(=O)OCc1nc(-c2cc(F)c(F)c(F)c2)no1)c1ccc([N+](=O)[O-])cc1F 755066738 HFUMINUPFCZBMN-MRVPVSSYSA-N 425.294 4.048 5 20 IIBD Cc1cc(C)c(S(=O)(=O)N(Cc2ccccc2)C[C@H](O)c2ccsc2)cc1[N+](=O)[O-] 755122420 RUXKIWWRPWKHSR-FQEVSTJZSA-N 446.550 4.198 5 20 IIBD Cc1ccc(OC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)cc1[N+](=O)[O-] 755251339 UWJXEWUQACBLAJ-UHFFFAOYSA-N 427.463 4.009 5 20 IIBD CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[C@@H]1NC(=O)OC(C)(C)C 757364676 FXGTXDCAUZJSQF-LRDDRELGSA-N 445.438 4.379 5 20 IIBD Cc1cccc(-c2nc(CC(=O)O[C@@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)cs2)c1 759955275 XALGEWPUBLRGOO-QZTJIDSGSA-N 426.498 4.493 5 20 IIBD O=C(Cc1cc(Br)ccc1F)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760535427 BMVJPKBTVXAHSI-UHFFFAOYSA-N 435.205 4.437 5 20 IIBD C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 762444746 SUUGHIKLERIOKG-HUUCEWRRSA-N 437.512 4.163 5 20 IIBD COC(=O)c1ccc(OC(=O)CSc2nc(C)nc3sc(C)c(C)c23)cc1[N+](=O)[O-] 763710909 RECBYGMFQBXDSD-UHFFFAOYSA-N 447.494 4.009 5 20 IIBD C[C@@H]1[C@H](C(F)(F)F)OC(=O)N1c1ncccc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 764311672 RAVYIYJVGXDOQJ-AMIZOPFISA-N 444.753 4.172 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 765397351 JXDZRVRVLOBUML-UHFFFAOYSA-N 438.209 4.209 5 20 IIBD CCn1c(-c2ccccc2)c(C(=O)COC(=O)c2c([N+](=O)[O-])cnn2C)c2ccccc21 766967778 UEEAFKZGOJTOHV-UHFFFAOYSA-N 432.436 4.010 5 20 IIBD CN(C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1nc2ccc(Cl)cc2s1 767379835 LLTKKPGBMMQQRG-SNVBAGLBSA-N 448.863 4.013 5 20 IIBD CCN([C@@H](c1cccnc1)c1ccc(F)cc1F)S(=O)(=O)c1csc([N+](=O)[O-])c1 768854263 RPJACURJTXNFBT-SFHVURJKSA-N 439.465 4.130 5 20 IIBD O=C(OCc1ccccc1Oc1cccnc1)c1cc(Br)ncc1[N+](=O)[O-] 769839179 MGKKCBYMKVMHOS-UHFFFAOYSA-N 430.214 4.297 5 20 IIBD Cc1cc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)ccc1NC(=O)OC(C)(C)C 772064537 KLZCUFHPOLIMHR-UHFFFAOYSA-N 440.500 4.213 5 20 IIBD CC[C@H]1CC[C@H](C)N1C(=O)c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 772444730 MYDXHGICIMESGQ-RDJZCZTQSA-N 432.498 4.074 5 20 IIBD O=C(O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1ccc(OC2CCOCC2)cc1 776135410 RHXMFEONWJKXAF-QHCPKHFHSA-N 434.448 4.494 5 20 IIBD Cc1cc(C(=O)OC[C@@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])nn1C1CCCCC1 776514374 COESLQMKOLTXQP-SFHVURJKSA-N 440.500 4.067 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2nnc(S)n2CC)C1 777387883 GLVUQDRPSFPMMP-CQSZACIVSA-N 449.602 4.407 5 20 IIBD Cc1c(C(=O)Nc2ccc(CNC(=O)OC(C)(C)C)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 777833537 DDGBBVYIZMTWCZ-UHFFFAOYSA-N 444.444 4.397 5 20 IIBD Cc1ccc2c(c1)SCCCN2C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 778274058 RLLOLSRVOKKPBM-UHFFFAOYSA-N 427.482 4.120 5 20 IIBD O=C(OCc1ccn(-c2c(F)cccc2F)n1)c1cccc([N+](=O)[O-])c1Br 781677858 LMNHUIRAJAHZBO-UHFFFAOYSA-N 438.184 4.178 5 20 IIBD COc1ccc([C@H]2[C@@H](COC(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)CC(=O)N2C)cc1 784516348 KIBLHGOFWRKUNG-VGSWGCGISA-N 426.469 4.103 5 20 IIBD NC(=O)c1ccc(SCC(=O)Nc2ccc(-c3cccc(F)c3)c(F)c2)c([N+](=O)[O-])c1 784733575 XAZBKPFCDCHOTK-UHFFFAOYSA-N 443.431 4.370 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 786992822 VQHNJHCGLZWGSK-HUUCEWRRSA-N 444.488 4.269 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Oc2cc(Cl)cc3cccnc23)c(C)c1[N+](=O)[O-] 790876464 ZIACOLGDWUGDBO-UHFFFAOYSA-N 437.817 4.089 5 20 IIBD Cc1c(C(=O)N2CCc3cc(Br)ccc3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 790985786 CIRMUKRSBTUZEA-UHFFFAOYSA-N 434.246 4.081 5 20 IIBD COc1ccc(NC(=O)[C@@H](OC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 791404030 BNKNXTHAPSZCFE-LIRRHRJNSA-N 432.498 4.291 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)OCc2cc(Cl)c(Cl)c(Cl)c2)cc1[N+](=O)[O-] 792553564 NHGIACHMCDWDCU-UHFFFAOYSA-N 438.672 4.316 5 20 IIBD C[C@@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1ccc(N2CCCNC2=O)cc1 794928796 IJWJTRBJUAHMDN-MRXNPFEDSA-N 445.479 4.068 5 20 IIBD COc1cc(NCc2c(F)cc([N+](=O)[O-])cc2F)c(C(=O)N2CCCCC2)cc1OC 795249629 PDHGFNDRBHYBPY-UHFFFAOYSA-N 435.427 4.128 5 20 IIBD CCOc1ccc(NCc2cc(Cl)ccc2[N+](=O)[O-])cc1S(=O)(=O)N(CC)CC 796400792 YXRDBISVSXYBHT-UHFFFAOYSA-N 441.937 4.290 5 20 IIBD Cc1ccc(-c2ccc(C)c(NC(=O)c3c4c(cc([N+](=O)[O-])c3[N+](=O)[O-])OCCO4)c2)o1 797287761 WSUXYSYKBIYEMR-UHFFFAOYSA-N 439.380 4.403 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@@H]1CC(C)(C)Oc2ccc(Br)cc21 798558339 ARFSVIVPEGRBMB-OAHLLOKOSA-N 438.278 4.098 5 20 IIBD O=[N+]([O-])c1c(Sc2nnc(-c3ccncc3)n2Cc2ccccc2)nc2ccccn12 799771033 SCYGTNGJQBDXPM-UHFFFAOYSA-N 429.465 4.096 5 20 IIBD CC(C)(C)OC(=O)N1CCC(COC(=O)c2cccc([N+](=O)[O-])c2Br)CC1 800197008 FHZPOMUJVQLBBQ-UHFFFAOYSA-N 443.294 4.161 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)OCc3ncnn3CC(F)F)cc2[N+](=O)[O-])cc1 801213382 PKQKCTRYKANYBX-UHFFFAOYSA-N 434.424 4.268 5 20 IIBD O=C1OCCN1c1ccc(S(=O)(=O)Nc2cccc(-c3ccccc3)c2)cc1[N+](=O)[O-] 808115635 MFLPLFZWTWXPJI-UHFFFAOYSA-N 439.449 4.019 5 20 IIBD CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 808582415 ASRGSMCVNAATHC-UHFFFAOYSA-N 439.755 4.000 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc([C@H]3C[C@H](C)CCN3C(=O)OC(C)(C)C)n2)c1 809476258 KIIKNRUMNOEAFC-CXAGYDPISA-N 432.477 4.285 5 20 IIBD CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])s1 811505584 FSYLSHKTEDOTAJ-DTWKUNHWSA-N 432.333 4.068 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1(c2ccc3c(c2)OCCO3)CCCC1 812212756 ZRIYAVLWBLDYBZ-UHFFFAOYSA-N 430.888 4.490 5 20 IIBD CN1C(=O)CC[C@H](c2nc(CCC(C)(C)[N+](=O)[O-])no2)[C@@H]1c1ccc(C(F)(F)F)cc1 812811558 CBPOYOFGFBBLOR-YOEHRIQHSA-N 440.422 4.153 5 20 IIBD CC(C)(C)OC(=O)Cc1ccccc1OS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F 813711085 RWBZMWYLBIKKBQ-UHFFFAOYSA-N 445.852 4.039 5 20 IIBD O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)Oc1c(F)cc(F)cc1Br 815032435 GPQZWVNUXFKVOU-UHFFFAOYSA-N 446.584 4.196 5 20 IIBD CC(C)(NC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O)c1ccccc1[N+](=O)[O-] 817038417 MDDLEOUKBFXGPL-UHFFFAOYSA-N 448.504 4.085 5 20 IIBD C[C@@H](OC(=O)CCC(=O)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 844924793 BGGAKADVAGHFMZ-GFCCVEGCSA-N 438.358 4.147 5 20 IIBD O=C(Nc1cccc(CN2CCOC2=O)c1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 916077990 NQNTZEKGCBDYBP-UHFFFAOYSA-N 446.463 4.411 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 918172793 HJIRNIBGITUWDO-UHFFFAOYSA-N 439.815 4.082 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC[C@H]1c1ccc(Br)cc1 918194636 JFUZDHVNVHGPMK-AWEZNQCLSA-N 429.267 4.022 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)cc2F)C[C@@H](C)O1 918601142 VMOIVGIRBVXQSJ-IYBDPMFKSA-N 442.491 4.200 5 20 IIBD CCOc1ccc(C(=O)OCC(=O)N[C@H](c2ccccc2)C2CCCC2)cc1[N+](=O)[O-] 918994974 VFJTYPQPDXFCSU-JOCHJYFZSA-N 426.469 4.198 5 20 IIBD Cn1cc(C(=O)Nc2nc(COc3ccccc3)cs2)c(-c2ccc([N+](=O)[O-])cc2)n1 919680667 FEQIVPHNSBVAGG-UHFFFAOYSA-N 435.465 4.283 5 20 IIBD COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2I)c2cccnc12 919869363 BMSRUAKWGWFOJP-UHFFFAOYSA-N 449.204 4.009 5 20 IIBD COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1 921011262 RDFVTIAOVPAKAE-JOCHJYFZSA-N 448.454 4.192 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)N(CC(F)(F)F)c1ccc(Cl)cc1 1318030680 CJTSVFGISQRSFK-UHFFFAOYSA-N 430.766 4.309 5 20 IIBD CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 1318121182 NPGLANVAIUIITH-UHFFFAOYSA-N 431.514 4.028 5 20 IIBD O=C(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@]1(Cc2ccc(Cl)cc2)C[C@H]2CC[C@H]1C2 1318600922 ZDZDFGSKWWQHFC-QYWGDWMGSA-N 448.928 4.102 5 20 IIBD O=C(Nc1ccc(F)cc1)C1CCN(Cc2ccc([N+](=O)[O-])cc2Br)CC1 1321393207 AJPWHBPOQSAKLA-UHFFFAOYSA-N 436.281 4.347 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2cc(C)c(Br)c(C)n2)cc1[N+](=O)[O-] 1323627454 VHKLTYBVLYSBMJ-UHFFFAOYSA-N 434.699 4.132 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 1324313242 VETITUIXQLINPC-SJORKVTESA-N 446.548 4.136 5 20 IIBD CC(C)(C)S(=O)(=O)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 1327865699 HPXPIZNALLHBQD-UHFFFAOYSA-N 428.919 4.258 5 20 IIBD O=C(Cc1cc([N+](=O)[O-])ccc1F)NC1(c2ccc(NC(=O)c3ccccn3)cc2)CCC1 1787292798 NAAULENTETZBCL-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD O=C(CC(F)(F)F)Nc1ccc(C2(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)CCC2)cc1 1787876760 WBDNRZKLMPAMAA-UHFFFAOYSA-N 437.374 4.001 5 20 IIBD CC(=O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2)CCC1 1790695697 MBWYKNYAVUIXAC-UHFFFAOYSA-N 441.459 4.097 5 20 IIBD Cc1cc(C)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2cccc([N+](=O)[O-])c2)c(C)c1 1792481050 PZZOMAOQLZWZNJ-WKCHPHFGSA-N 435.524 4.015 5 20 IIBD Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])C3)cc1 1799713072 MTMLEQAHRXNUQL-ACDBMABISA-N 441.915 4.051 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCCC2(CCN(C(=O)c3cc4ccccc4o3)CC2)C1 1804650734 JYHAMPUKZHYYCA-UHFFFAOYSA-N 437.452 4.093 5 20 IIBD CC/C=C(\C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(F)ccc([N+](=O)[O-])c2C)n[nH]1 1821285282 AIUDNIXIAGCXAG-UTGRISEESA-N 443.479 4.428 5 20 IIBD CC(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 1826300359 NHOGOTSFUHYYMD-IBGZPJMESA-N 435.952 4.066 5 20 IIBD Cc1ccc(C(=O)N2CC3(CCCN3C(=O)C3(c4cccc([N+](=O)[O-])c4)CCC3)C2)c(C)c1 1845143463 CNFDQLDTTIZUGT-UHFFFAOYSA-N 447.535 4.151 5 20 IIBD Cc1cc(C(=O)N2CCCC23CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)C3)ccc1F 1845367078 PCVVTOSZBNLWFF-UHFFFAOYSA-N 445.878 4.135 5 20 IIBD C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 15592468 NUUQTZISYBZMTR-HUUCEWRRSA-N 429.448 4.155 5 20 IIBD CC(C)(C)c1ccc(C(=O)COC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1 19430318 PYMPTCHGFBDAHY-UHFFFAOYSA-N 440.452 4.007 5 20 IIBD CN(C)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 20790409 FKBBIYUXRKDBJF-GHRIWEEISA-N 445.475 4.265 5 20 IIBD CCn1c(SCc2cc(=O)n3c(C)csc3n2)nc2cc3ccccc3cc2c1=O 22178615 FHDIJKCNINKSNT-UHFFFAOYSA-N 434.546 4.240 5 20 IIBD CCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 25387024 FJWBMOVSZJZOHS-JTQLQIEISA-N 427.240 4.484 5 20 IIBD O=C(CSc1nnc(-c2ccccc2)o1)Nc1ccc([N+](=O)[O-])cc1Br 33715429 XVRJXCPGUAKDAM-UHFFFAOYSA-N 435.259 4.138 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCc2ccc(OCC3CC3)nc2)cc1[N+](=O)[O-])c1ccccn1 60323794 ZSAIRVXEUFWZFZ-MRXNPFEDSA-N 447.495 4.277 5 20 IIBD COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)cc1 60365157 GRVAZUXSFNPINE-OAQYLSRUSA-N 440.475 4.046 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)c1 60398030 GFFQLLYWYGPIMP-QGZVFWFLSA-N 425.485 4.325 5 20 IIBD Cn1cc(C(=O)NCc2ccc(COCC(F)(F)F)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 64770050 VGSAKQLJANAYNY-UHFFFAOYSA-N 448.401 4.004 5 20 IIBD CCOC(=O)CN(Cc1ccc(F)cc1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 64970996 AXZIZBCIMGIWRP-UHFFFAOYSA-N 443.456 4.063 5 20 IIBD Cc1ccc(C(=O)N2CCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])CC2)cc1 71953949 JIWWIEMJIANNGP-UHFFFAOYSA-N 429.476 4.097 5 20 IIBD O=C(NCc1ccc(Oc2cccc(F)c2)nc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 109907004 DPJMLTLJDKHIFW-UHFFFAOYSA-N 433.399 4.037 5 20 IIBD COc1cc(CNC[C@H]2CC[C@H](C(=O)O)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 426684056 WXGPMGRVXOLARC-SAABIXHNSA-N 428.485 4.163 5 20 IIBD O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1O)c1cccc(-c2noc(C(F)(F)F)n2)c1 431798066 PICUFTGGLPJNFS-UHFFFAOYSA-N 428.710 4.275 5 20 IIBD O=C(NCCOCC(F)(F)C(F)F)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 434313322 VRAOTFKIBZCJGC-UHFFFAOYSA-N 432.395 4.393 5 20 IIBD CN(C)C1(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CCCCCC1 435835862 OHRJZFQWCAWDGD-UHFFFAOYSA-N 427.495 4.344 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCO[C@@H](c2ccc(F)cc2)C1 435880582 QAQJPFKCNVNYTF-HXUWFJFHSA-N 438.405 4.312 5 20 IIBD CC(C)[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc2c(c1)OCCO2 437707466 JTNSTYXLEGHVRF-QFIPXVFZSA-N 425.485 4.437 5 20 IIBD CCOc1cc(NC(=O)C(=O)N(Cc2ccc(C)s2)C(C)C)c([N+](=O)[O-])cc1OCC 438699857 KYCDZLOVXUOSRN-UHFFFAOYSA-N 449.529 4.138 5 20 IIBD C[C@H](CO[C@H]1CCOC1)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 440857464 FUSNRMGHOKWVAI-CJNGLKHVSA-N 436.917 4.323 5 20 IIBD Cc1ccc(-c2nc(CS(=O)(=O)c3ccc(Br)cc3[N+](=O)[O-])co2)cc1 443201529 YDLPWOBLRKTSDO-UHFFFAOYSA-N 437.271 4.295 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 443943604 CGVNNFMFEFLGBY-UHFFFAOYSA-N 431.880 4.143 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc2cc(Br)ccc2c1 444633024 RHCKIBGAKNOPMA-UHFFFAOYSA-N 425.242 4.317 5 20 IIBD CCN(CC)C(=O)c1cccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])c1 444830563 UCXFRSAUQVOZHR-UHFFFAOYSA-N 426.292 4.153 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2cnc(OCC(F)(F)F)cn2)no1 445763087 CPRGJLXULNKUTQ-QMMMGPOBSA-N 445.741 4.169 5 20 IIBD O=C(N[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1)c1cc2ccccc2o1 446630009 CQDXRIZUZDDLEW-AWEZNQCLSA-N 427.844 4.029 5 20 IIBD Cc1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C)c2cccc(S(C)(=O)=O)c2)cc1 464357281 CPPTVMRDNRSICA-JOCHJYFZSA-N 438.505 4.135 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(-c3ccc(Cl)s3)[nH]n2)c2ncccc12 464410443 WGPFZFRIGVMGSU-UHFFFAOYSA-N 435.874 4.049 5 20 IIBD Cc1nn(CCC(=O)NCc2ccc(OC(C)(C)C)cc2C(F)(F)F)c(C)c1[N+](=O)[O-] 464545136 OVHAMELEFHCVRG-UHFFFAOYSA-N 442.438 4.311 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1nc2ccc(Br)cc2[nH]1 464579650 CCTTWYSAGSKUHO-UHFFFAOYSA-N 439.653 4.295 5 20 IIBD CCN(CCCNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 465615241 IIZVPEMEFUJUMY-UHFFFAOYSA-N 426.517 4.064 5 20 IIBD CCOc1c(Cl)cc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 466265267 KDMFTTBGYGHHNT-UHFFFAOYSA-N 426.256 4.059 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(Oc2cccc(OC)c2)cc1 468098883 BQHRPNQNGJXFBN-IBGZPJMESA-N 439.472 4.267 5 20 IIBD Cc1ccc(C[C@@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c2ccccn2)cc1 469346458 XVKAZVWBCHSNEK-HSZRJFAPSA-N 432.480 4.055 5 20 IIBD CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 469509398 XUQXZMFGANMUQW-JOCHJYFZSA-N 438.572 4.084 5 20 IIBD COc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])ccc1Br 471494893 FUISTIHXXDISGK-VIFPVBQESA-N 429.654 4.425 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[C@H]2OCC[C@@H]12 472904024 LEXSAWNNXKLNTM-YTFSRNRJSA-N 446.507 4.064 5 20 IIBD O=[N+]([O-])c1cccc(OCCOc2ccc(Oc3ncc(Br)cn3)cc2)c1 473682135 YXOCZYOYKSNMOB-UHFFFAOYSA-N 432.230 4.397 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CC=C(c3cccc(Cl)c3)CC2)c2ncccc12 480948317 BEHZUMKYCRWCLZ-UHFFFAOYSA-N 429.885 4.274 5 20 IIBD O=C(Nc1ccc(Cn2cncn2)cc1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 481710142 GIYLRYFGONTGCM-UHFFFAOYSA-N 428.452 4.099 5 20 IIBD COCCN(C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)[C@@H]1CC[C@@H](C)C1 482673341 OIHNIEUYRVUAOX-ZHALLVOQSA-N 426.517 4.440 5 20 IIBD C[C@@H]1CCSCCN1C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 484943644 GWLZJWXDYMOKIH-GFCCVEGCSA-N 437.568 4.100 5 20 IIBD CN(C)C1(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])Cc2ccccc2C1 485907264 OICJWLWSUFJRDN-UHFFFAOYSA-N 445.519 4.003 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](C)[C@H]1CCN(Cc2ccccc2)C1 487295467 FPFLKRUOHWQTAG-RYRKJORJSA-N 431.920 4.042 5 20 IIBD CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 489133786 WMPRBNREVFFTGO-HNNXBMFYSA-N 443.500 4.108 5 20 IIBD CCOc1cc(CSc2nnc(CN3CCCC3)n2-c2ccccc2)ccc1[N+](=O)[O-] 491884829 BITFCUKIUYFWPF-UHFFFAOYSA-N 439.541 4.462 5 20 IIBD COc1ccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1N1CCCCC1=O 494205839 SOGFSLYKAXUDGF-UHFFFAOYSA-N 438.484 4.317 5 20 IIBD O=C(CN[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)Nc1ccc([N+](=O)[O-])cc1Cl 494498649 WSEUSYIHUFKKMS-SJLPKXTDSA-N 428.247 4.099 5 20 IIBD C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 494877902 JLYMFTREYFITTK-LBPRGKRZSA-N 426.304 4.076 5 20 IIBD CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](C)Cc1ccsc1 495226803 DUHBJGPSDIJNKT-LBPRGKRZSA-N 426.336 4.310 5 20 IIBD CSc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(O)(Cc2ccc(F)cc2F)C3)cc1[N+](=O)[O-] 497460199 ITQMJNZJYDCWRY-IRXDYDNUSA-N 448.491 4.336 5 20 IIBD COc1ccc(OC)c(-c2csc(NC(=O)CSc3ccccc3[N+](=O)[O-])n2)c1 497490642 GZXSFMSBDMKTKR-UHFFFAOYSA-N 431.495 4.466 5 20 IIBD Cc1ccc(Br)c(S(=O)(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 497950367 LDVOHMZXFQDKOW-UHFFFAOYSA-N 425.304 4.019 5 20 IIBD CCC[C@H](C)N(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1nc(C)c(C(=O)OCC)s1 498181829 LGDHRROPSQDQBQ-NSHDSACASA-N 449.485 4.101 5 20 IIBD C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 500648914 UOIRKZOBOLWNNI-HNNXBMFYSA-N 449.488 4.042 5 20 IIBD COC(=O)CCCNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 500711225 AJRAGKUQQWNDGM-UHFFFAOYSA-N 431.495 4.039 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](c1cncc(Br)c1)C1CC1 505385890 DXZZCDXUNPTMMN-GOSISDBHSA-N 433.306 4.088 5 20 IIBD COC(=O)[C@@H]1CC12CCN(C(=O)c1ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c1)CC2 505681577 NHICCCJGPMDRLM-SFHVURJKSA-N 440.521 4.470 5 20 IIBD CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 505693197 CYLXXZSQDPOPON-UHFFFAOYSA-N 436.468 4.274 5 20 IIBD O=C(Nc1cc2ccc(Br)cn2n1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 506100727 GYQCVCRXGPVSRW-UHFFFAOYSA-N 429.152 4.276 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1ccccc1Oc1ccccc1 506184837 UCPUKPLWRGSWED-OAHLLOKOSA-N 440.477 4.282 5 20 IIBD CC(C)Cc1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C2CC2)cc1 506259154 KMINCUOQUOJCNJ-OAQYLSRUSA-N 430.526 4.078 5 20 IIBD COc1ccc(CN(c2ccncc2)S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cc1 508357670 HEABDDCLGLLXEA-UHFFFAOYSA-N 427.482 4.011 5 20 IIBD O=[N+]([O-])c1ccc2c(ccn2Cc2nc(Cc3cc(F)cc(Br)c3)no2)c1 508686600 NYJMULFPCXYKFH-UHFFFAOYSA-N 431.221 4.473 5 20 IIBD Cn1c(SC[C@H]2CCN(C(=O)c3ccccc3)C2)nc2cc3ccccc3cc2c1=O 509088177 AEVWVOYSYBSPIF-KRWDZBQOSA-N 429.545 4.341 5 20 IIBD COc1ccc(NC(C)=O)c(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 509813061 DSFCDEKYRZETEK-CQSZACIVSA-N 449.467 4.382 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1cc(F)c(F)c(F)c1 509933098 FBZWYNVCOXATOO-UHFFFAOYSA-N 436.127 4.177 5 20 IIBD O=C(N[C@H](CC(=O)N1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1)c1ccccc1 509970879 KXUDNOYWBVJPQE-JOCHJYFZSA-N 429.476 4.435 5 20 IIBD CCOc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c([N+](=O)[O-])cc1OCC 510672506 WPIHSWDMXNZFNO-ZDUSSCGKSA-N 447.875 4.037 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N(Cc3ccco3)C[C@@H]3CCCO3)cc2[N+](=O)[O-])C1 511585241 AOYMYTGDSZSIQP-UEXGIBASSA-N 441.528 4.492 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)cc1[N+](=O)[O-] 513423452 JJMJCFQLJJZBIB-UHFFFAOYSA-N 432.404 4.196 5 20 IIBD COc1cc(CCNC(=O)[C@H](C)Oc2cc(C(C)C)ccc2C)c([N+](=O)[O-])cc1OC 514573253 HZZMSQOFIBOKTA-INIZCTEOSA-N 430.501 4.170 5 20 IIBD CCOc1cc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)c(OCC)cc1NC(=O)c1ccccc1 515530894 YILVPXPTPQERAZ-UHFFFAOYSA-N 438.440 4.225 5 20 IIBD Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)Cn1cc([N+](=O)[O-])cn1 518888543 NQIMTAGKAUUKSQ-UHFFFAOYSA-N 447.373 4.010 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](c1ccccc1)c1nc2ccccc2n1C 522247926 GKPGCUXJEULQQF-OAQYLSRUSA-N 431.452 4.401 5 20 IIBD C[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(N2CCCC2=O)c1 522639891 IFRZMXVRWGKUKE-CQSZACIVSA-N 431.876 4.021 5 20 IIBD COCCCCNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 522766650 WFLJIMFZYBGWQA-UHFFFAOYSA-N 425.844 4.405 5 20 IIBD C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 525608317 ROYWEBBMAHOOQG-QRWLVFNGSA-N 430.936 4.273 5 20 IIBD O=C(Nc1ccc(F)cc1)c1ccc(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1 531865695 OANJDSXKUOCOPH-UHFFFAOYSA-N 432.411 4.398 5 20 IIBD O=C(CN1CCO[C@@H](c2ccc(F)c(Cl)c2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] 533276173 KUFIQEVFXZULSV-QGZVFWFLSA-N 428.247 4.053 5 20 IIBD COc1ccccc1C(=O)N1[C@H](C(=O)N(C)c2cccc([N+](=O)[O-])c2)C[C@@H]2CCCC[C@@H]21 533606781 YZFXDUKLGXSAAD-NDXORKPFSA-N 437.496 4.040 5 20 IIBD Cc1cc(C)cc(NC(=O)[C@H](C)[S@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1 534062965 WXVIPHXKGXQMGN-INCQDFKNSA-N 427.482 4.143 5 20 IIBD O=C(Nc1cccc2c1CCCN2C(=O)COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 536466280 CCRIFMIJXXSNMU-UHFFFAOYSA-N 449.438 4.344 5 20 IIBD CN(C)c1nnc(-c2ccc(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)cc2)o1 536500740 AZCBLCDSMNNPBN-UHFFFAOYSA-N 436.453 4.087 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)C1CCN(C(=O)c2ccccc2)CC1 540393371 VYFWRRNAKUIRKY-UHFFFAOYSA-N 441.553 4.472 5 20 IIBD CC(C)c1[nH]nc(C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)c1[N+](=O)[O-] 541459935 BSOSZAIQXNMCQE-UHFFFAOYSA-N 440.331 4.143 5 20 IIBD COCC[C@H](Cc1ccco1)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 542261514 NKPGXPKHIXTURR-QGZVFWFLSA-N 445.497 4.048 5 20 IIBD C[C@H](C(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1)c1ccc([N+](=O)[O-])cc1F 542533229 DOGMHMWLHCUSRD-INIZCTEOSA-N 442.491 4.291 5 20 IIBD Cn1c(SC[C@@H](O)COc2ccccc2[N+](=O)[O-])nnc1-c1ccc(C(C)(C)C)cc1 543121065 XYDKXJQTBBDTGT-KRWDZBQOSA-N 442.541 4.220 5 20 IIBD CCN(CC)C(=O)CCC1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 543877189 PMIJAZUWVKJMDC-UHFFFAOYSA-N 428.533 4.153 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(Nc2cccc(COCC(F)(F)C(F)F)c2)s1 543958082 WGUZHLGIQQICBZ-UHFFFAOYSA-N 442.412 4.220 5 20 IIBD Cc1c(Cc2noc([C@H]3CC(=O)N(c4ccc(Cl)c(F)c4)C3)n2)cccc1[N+](=O)[O-] 545076686 FSBDKCZTWZSEDE-ZDUSSCGKSA-N 430.823 4.190 5 20 IIBD CC(C)n1nnnc1-c1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cc1F 545827201 DSPHGEJXLTYDOT-UHFFFAOYSA-N 430.415 4.024 5 20 IIBD O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1 546021548 AGAJJLHETWTMPL-HNNXBMFYSA-N 440.399 4.273 5 20 IIBD O=[N+]([O-])c1ccc2nc(O)cc(-c3nc(CCc4ccc(OC(F)F)cc4)no3)c2c1 546453897 YXBDSLCXXCSGHO-UHFFFAOYSA-N 428.351 4.285 5 20 IIBD Cc1c(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)nnn1-c1ccc(-c2ccccc2)cc1 547194522 CKHNBGYCUKJMJJ-UHFFFAOYSA-N 439.435 4.187 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1 547373230 MIDJQXNQOKAFOI-UHFFFAOYSA-N 427.438 4.027 5 20 IIBD C[C@@H](c1ccccc1F)N1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)C1=O 549198240 FQRZOGUDZYMZNS-MEDUHNTESA-N 437.269 4.056 5 20 IIBD Cc1cccc(-n2ncc(C(=O)N(C)CCc3ccccc3[N+](=O)[O-])c2C(F)(F)F)c1 557362145 VYOAEMLAJXOWLO-UHFFFAOYSA-N 432.402 4.422 5 20 IIBD CC[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(OC)c(OC)c1 558298066 BVLCBIFDMUDQLG-ZDUSSCGKSA-N 425.388 4.486 5 20 IIBD NC(=O)c1ccc(NCCOc2ccc3cc(Br)ccc3c2)c([N+](=O)[O-])c1 560841312 NTLKLGNAGFRALU-UHFFFAOYSA-N 430.258 4.100 5 20 IIBD COC[C@]1(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])OCCc2ccccc21 575794400 DKRTWCBHDHXTKE-KRWDZBQOSA-N 447.360 4.170 5 20 IIBD CN1CCC(N(Cc2ccccc2Br)C(=O)Cc2ccccc2[N+](=O)[O-])CC1 578154079 SPJQVQPKYPGDGM-UHFFFAOYSA-N 446.345 4.023 5 20 IIBD CCc1ccc(OCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c([N+](=O)[O-])c1 578273355 KRBSZGCJUDPCGG-SFHVURJKSA-N 426.469 4.061 5 20 IIBD Cc1nc(C)c(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)o2)s1 600864551 HGMLJLDJNRJDOA-UHFFFAOYSA-N 425.879 4.102 5 20 IIBD CCNc1ccc(C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)cc1[N+](=O)[O-] 602756347 HJQVFDVLNCFPAK-OAHLLOKOSA-N 426.498 4.462 5 20 IIBD CSc1cc(C(=O)Nc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)ccc1NC(C)=O 603781101 SYFVEFMGUIYHHU-UHFFFAOYSA-N 425.470 4.022 5 20 IIBD COc1ccc(OCC(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)c([N+](=O)[O-])c1 603902286 CVHGGIXDKBUVHI-FQEVSTJZSA-N 445.475 4.412 5 20 IIBD Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 603976980 OGGIIFLDZZZWGB-KBPBESRZSA-N 439.468 4.002 5 20 IIBD O=[N+]([O-])c1ccccc1CNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 604037213 HPIBTUNTCLLOSS-UHFFFAOYSA-N 428.310 4.111 5 20 IIBD CCCC(=O)Nc1nc2ccc(NS(=O)(=O)c3c(C)cccc3[N+](=O)[O-])cc2s1 604114044 YHAVTWJJJFNTNB-UHFFFAOYSA-N 434.499 4.052 5 20 IIBD COc1cc(OC)c(C2CCN(C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)CC2)c(OC)c1 604127783 RZPDLIPLEXHNCC-OAHLLOKOSA-N 443.500 4.271 5 20 IIBD CC(C)(C)C[C@@H](NC(=O)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(F)cc1 608869717 GDXJTVPTWQSZSS-LJQANCHMSA-N 425.464 4.286 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1cccc(NC(=O)c2ccccc2)c1 608938165 WZPJXNLZJVPQAX-HNNXBMFYSA-N 447.447 4.109 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)cc1OC 608962930 LJFFOKUDVZXGTQ-LJQANCHMSA-N 438.839 4.008 5 20 IIBD O=C(CCc1nc2cc(Cl)ccc2s1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 609323910 GLFMFBVIPFRRBT-UHFFFAOYSA-N 430.917 4.139 5 20 IIBD CCOc1c(OC)cc(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1OC 609598671 LPRZPCQGSYMWTN-UHFFFAOYSA-N 429.498 4.424 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)c(C[S@](C)=O)c2)cc1SC 609655830 WZHHXVPHSZOIBZ-MHZLTWQESA-N 428.919 4.110 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H](C)[C@@H](OC)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 609865938 RRZXVEOTNIKXCO-RNODOKPDSA-N 438.933 4.382 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)cc1 609873316 YCFUYFBGHUNTJF-UHFFFAOYSA-N 444.309 4.356 5 20 IIBD CCOC(=O)Cc1cccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 609982438 ACAOBDYUDKBZQE-UHFFFAOYSA-N 425.485 4.189 5 20 IIBD Cc1ccc(-c2nc(CCNC(=O)c3ccc([N+](=O)[O-])cc3Br)co2)cc1 610063755 OEUXIEPQQDJZNJ-UHFFFAOYSA-N 430.258 4.293 5 20 IIBD COc1cc(C(=O)N[C@@H]2C[C@@]2(C)c2ccccc2)c([N+](=O)[O-])cc1OCc1cscn1 610191453 ZJSBRRHDPPUTEH-IRLDBZIGSA-N 439.493 4.099 5 20 IIBD COc1ccc(Nc2nnc(SCCOc3ccc(OC)cc3[N+](=O)[O-])s2)cc1 610217153 XMUBMFFSYNWRDV-UHFFFAOYSA-N 434.499 4.378 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)Nc2ncc(Cl)s2)cc1[N+](=O)[O-] 610247012 GIPITFCWUCTPJP-UHFFFAOYSA-N 430.873 4.254 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] 611529902 QCJDYJPZZVQPFX-HXUWFJFHSA-N 440.887 4.264 5 20 IIBD O=C(O)c1ccccc1C1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 615172053 FPZHRDGQMJEIJV-UHFFFAOYSA-N 433.258 4.075 5 20 IIBD CC(C)(C)OC(=O)c1ccccc1C1CCN(C(=O)c2cccc([N+](=O)[O-])c2O)CC1 615295174 YJOZYUCURBZINU-UHFFFAOYSA-N 426.469 4.276 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1nc(Cn2cnc3ccccc32)no1 618409410 SSJRXYGXCVTQDM-UHFFFAOYSA-N 432.362 4.049 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(Cc1c(Cl)cccc1Cl)C1CC1 619479654 KBAGHROWXAYMEF-UHFFFAOYSA-N 431.297 4.264 5 20 IIBD CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)ccc1Cl 727711210 FOLCQBXDPRJODI-UHFFFAOYSA-N 446.312 4.184 5 20 IIBD C[C@H](c1nc2ccccc2s1)N1CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 728896160 MVWCSIGGNJSOLU-QGZVFWFLSA-N 448.552 4.404 5 20 IIBD Cc1ccsc1C(=O)Nc1ccc(OC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)cc1 729216050 GUEGFKWZGXQWBC-UHFFFAOYSA-N 428.470 4.026 5 20 IIBD C[C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)c1ccccc1F 731329297 ZXNRKPURBXRNBA-ZDUSSCGKSA-N 425.382 4.205 5 20 IIBD Cc1ccc(Cc2cnc(NC(=O)COc3ccc(C=O)cc3[N+](=O)[O-])s2)cc1Cl 731613567 CMTWGHAMFWSWOY-UHFFFAOYSA-N 445.884 4.434 5 20 IIBD COc1c([N+](=O)[O-])cc(N[C@H]2CCOc3ccc(F)cc32)c([N+](=O)[O-])c1Br 731663379 UFXBRZGLVIBLNO-JTQLQIEISA-N 442.197 4.349 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@@H](c1oc2ccccc2c1C)C(C)C 732661061 LGHNDPBAUBEPGS-JOCHJYFZSA-N 440.452 4.363 5 20 IIBD C[C@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H](C)N1C(=O)OC(C)(C)C 733116396 GHZYPOLOQILMCK-OKILXGFUSA-N 446.529 4.188 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])O[C@@H](C(=O)N1CCCCC1)c1ccccc1 735150237 NELBFLCJLXFUQC-OAQYLSRUSA-N 446.887 4.314 5 20 IIBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 735268085 ZIXJILZTHLAJJH-UHFFFAOYSA-N 445.409 4.105 5 20 IIBD CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)ccc1C 735803191 VEKYVMSBPWPMHG-UHFFFAOYSA-N 439.921 4.148 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC(=O)c1cccc(OC(F)F)c1 738634466 CJQSCCRHKQDGSQ-SNVBAGLBSA-N 429.759 4.043 5 20 IIBD NC(=O)[C@@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(Br)cc1F 741475313 RTWDROCKUIYKBN-ZDUSSCGKSA-N 442.291 4.425 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 743000413 NGTSAHUUBVEALP-QGZVFWFLSA-N 439.449 4.092 5 20 IIBD C[C@@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 745334963 KYMANIWXGZOSQG-SNVBAGLBSA-N 430.766 4.380 5 20 IIBD COc1ccccc1-c1nc(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cs1 746917212 IQCWXTOFLYXVCZ-NSHDSACASA-N 445.428 4.050 5 20 IIBD CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1[N+](=O)[O-] 747135387 SGGBKEOEDDLWOX-UHFFFAOYSA-N 432.480 4.470 5 20 IIBD O=C(O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 747250110 BZNKSFGYNWIROZ-ZIAGYGMSSA-N 428.323 4.059 5 20 IIBD O=C(Nc1ccc(OC(=O)[C@@H](c2ccccc2)n2cccn2)cc1)c1cccc([N+](=O)[O-])c1 747625924 WGXFESVQASIKQU-JOCHJYFZSA-N 442.431 4.239 5 20 IIBD CC(=O)N1CCc2cc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3Cl)ccc21 749410370 MXYFGWMUAQUZOV-UHFFFAOYSA-N 438.665 4.172 5 20 IIBD Cc1nn(CN(Cc2cc(Br)ccc2F)C(C)C)c2ncc([N+](=O)[O-])cc12 749945360 MNYZZMQSFKTFJQ-UHFFFAOYSA-N 436.285 4.418 5 20 IIBD O=C1C[C@H](C(=O)N(CC2CCCCC2)c2ccccn2)CN1c1ccc(F)c([N+](=O)[O-])c1 752857728 BAICNQSCXVHIOI-KRWDZBQOSA-N 440.475 4.095 5 20 IIBD COC(=O)COc1ccc(CN[C@H]2CCOc3c2ccc(Cl)c3Cl)cc1[N+](=O)[O-] 752975821 CBHONNUFWAWWJD-AWEZNQCLSA-N 441.267 4.067 5 20 IIBD C[C@@H]1C[C@@H](CCNC(=O)c2cc([N+](=O)[O-])ccc2Br)CN1Cc1ccccc1 753293443 JQDSAKORUBJSCJ-NVXWUHKLSA-N 446.345 4.388 5 20 IIBD C[C@H](OC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C(=O)Nc1ccc(OC(F)(F)F)cc1 756768628 PAPRWEMLJBBAGS-JTQLQIEISA-N 437.330 4.159 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Br)c1cnc(OCc2ccccc2)cn1 758436969 RYCWSUUQYICKOW-UHFFFAOYSA-N 444.241 4.083 5 20 IIBD C[C@H](OC(=O)CCc1cccc(OC(C)(C)C)n1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 759008060 AJAIMHMANLIIAO-AWEZNQCLSA-N 440.456 4.454 5 20 IIBD Cc1nn(CCC(=O)Oc2ccc(Br)cc2C(F)(F)F)c(C)c1[N+](=O)[O-] 761901880 KHOSOISWTXEGKE-UHFFFAOYSA-N 436.184 4.185 5 20 IIBD Cc1nc(-c2cccc(NC(=O)COC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)c2)cs1 762898343 MNFDJWAMKIXYSW-UHFFFAOYSA-N 436.449 4.304 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1F 763929398 ZMCXOYHOVJKUDI-UHFFFAOYSA-N 446.788 4.072 5 20 IIBD CNC(=O)C1(NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CCCC1 767079550 RXQWSFUUYNMFQO-UHFFFAOYSA-N 433.917 4.188 5 20 IIBD CN(C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])[C@H]1CCCCNC1=O 767950482 VIMFUFRWOALBNV-INIZCTEOSA-N 433.917 4.140 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@H](CCO)c2cccs2)cc1[N+](=O)[O-])c1ccccn1 768873261 RNZLKOXKHNXIBL-KBXCAEBGSA-N 426.498 4.078 5 20 IIBD COCCn1ccc2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3Br)cc21 771338980 LHPPAJBHMANATC-UHFFFAOYSA-N 436.237 4.350 5 20 IIBD O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)c1cc([N+](=O)[O-])c2nsnc2c1 771505147 XWSZWLNIYIQFEU-UHFFFAOYSA-N 435.918 4.058 5 20 IIBD CCOc1cc(C(=O)N[C@H](C)[C@@H](O)c2c(Cl)cccc2Cl)c([N+](=O)[O-])cc1OC 771711959 LTPCFJNQAHVRPQ-MLCYQJTMSA-N 443.283 4.161 5 20 IIBD CCOc1ccc(-c2nc(COC(=O)c3cc(O)nc4ccc([N+](=O)[O-])cc34)co2)cc1 773170387 LKUPRRGMUSPQOT-UHFFFAOYSA-N 435.392 4.259 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc2c1N(C(=O)c1ccc(-n3ccnc3)c([N+](=O)[O-])c1)CC2 775295399 IHBAZNVWBRQFAL-UHFFFAOYSA-N 449.467 4.330 5 20 IIBD CCOC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 776415187 IWCANWIPLCNNCH-LJQANCHMSA-N 426.856 4.306 5 20 IIBD Cc1nnc(Sc2ccc(NC(=O)c3cc([N+](=O)[O-])c4nsnc4c3)c(C)c2)s1 778255730 YEFJZCXMIFJZJZ-UHFFFAOYSA-N 444.523 4.471 5 20 IIBD O=[N+]([O-])c1ccc([C@H](O)CN[C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)cc1 779067544 XMSCDJMEVOXSGA-NFBKMPQASA-N 440.883 4.432 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCCC[C@H]2CN2CCCC2=O)cc1OC 782043038 WYHVUDQUULGDJG-MJGOQNOKSA-N 433.549 4.005 5 20 IIBD CSc1ccc(C(=O)COC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)cc1NC(C)=O 784257135 QCYGIJPVEZGHPT-UHFFFAOYSA-N 430.482 4.438 5 20 IIBD CC(C)(C)Sc1ccc(NC(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)cc1 784257962 PZKDJRYTMSXGPB-UHFFFAOYSA-N 445.497 4.224 5 20 IIBD Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c1 785433437 FJFADRSPTODESP-UHFFFAOYSA-N 442.394 4.229 5 20 IIBD CCc1c(-c2ccc(Br)cc2)n[nH]c1NC(=O)c1cc([N+](=O)[O-])ccc1N 786954538 UXMOAIFJQULWQF-UHFFFAOYSA-N 430.262 4.144 5 20 IIBD C[C@H](C[C@H](O)c1cccs1)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 787470031 KSUHZDPTOUZSMQ-QRWLVFNGSA-N 426.494 4.477 5 20 IIBD CCn1cc([C@@H](O)CN(Cc2ccccc2)c2ccc([N+](=O)[O-])c(OC(F)F)c2)cn1 790790690 JGZOTRBSNOELAU-IBGZPJMESA-N 432.427 4.153 5 20 IIBD C[C@@H](Nc1ccc(C(=O)OCC(=O)c2ccncc2Cl)cc1[N+](=O)[O-])c1ccccn1 791765887 ITOLNJDXBNSWCA-CYBMUJFWSA-N 440.843 4.251 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2cncc(Cl)c2Br)cc1[N+](=O)[O-] 795606661 WPYCBEWJGFRMPY-UHFFFAOYSA-N 441.090 4.168 5 20 IIBD Cc1cc(OCC(=O)Nc2cccc(CN(C)C(=O)OC(C)(C)C)c2)ccc1[N+](=O)[O-] 797433886 KNJPAQRHHIEAHY-UHFFFAOYSA-N 429.473 4.288 5 20 IIBD Cc1cccc(-c2nn(CNNc3cc([N+](=O)[O-])ccc3Br)c(=S)n2C)c1 802742030 YLCLZZFBNZDHBX-UHFFFAOYSA-N 449.334 4.171 5 20 IIBD O=C(CCN1CCC(c2noc3cc(F)ccc23)CC1)Nc1cc([N+](=O)[O-])ccc1F 810046563 WVJJFTMVJHFCOA-UHFFFAOYSA-N 430.411 4.222 5 20 IIBD CC(C)(C)OC(=O)N1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c2ccccc21 813278655 NQXAXDNUVZAIIW-UHFFFAOYSA-N 436.468 4.338 5 20 IIBD O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 813294032 XRDFKBYOIKTWFC-UHFFFAOYSA-N 439.281 4.099 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)CCC(=O)c1cccs1 864245003 ZAUQROJIBAVODZ-UHFFFAOYSA-N 428.470 4.106 5 20 IIBD O=C1C[C@@H](C(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)CN1c1ccc(F)c([N+](=O)[O-])c1 914513078 UXRCIGSUQVKKLS-IIBYNOLFSA-N 437.471 4.155 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)cc2F)C[C@H](C)O1 918601137 VMOIVGIRBVXQSJ-HOTGVXAUSA-N 442.491 4.200 5 20 IIBD COc1ccc(Cl)cc1CNC(=O)COC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 919001898 RZZJTIXJPMAXHX-UHFFFAOYSA-N 434.876 4.028 5 20 IIBD CCc1ccc(NC(=O)c2nnc(COC(=O)c3ccc(Cl)cc3[N+](=O)[O-])s2)cc1 919039347 CTXQCIQGNFMWQZ-UHFFFAOYSA-N 446.872 4.271 5 20 IIBD C[C@H](Nc1ccc(C(=O)OCC(=O)NC2CCCCCC2)cc1[N+](=O)[O-])c1ccccn1 920549065 VEYZWCRADYYEPQ-INIZCTEOSA-N 440.500 4.159 5 20 IIBD CCn1c(-c2ccccc2)c(C(=O)COC(=O)c2c([N+](=O)[O-])c(C)nn2C)c2ccccc21 920661042 MSSJJBSLZLNYAN-UHFFFAOYSA-N 446.463 4.318 5 20 IIBD Cc1cc(Cl)ccc1NC(=O)COC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 920780176 YIJCFHDHWYQLJF-NSHDSACASA-N 427.240 4.159 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4c(C)ccn4C)CCC3)cc2)ncc1[N+](=O)[O-] 1788766758 FYLPKZIVYKEQFW-UHFFFAOYSA-N 447.495 4.007 5 20 IIBD CCCCC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C2 1801716551 XTQYWTLQNYNSDZ-OKYOBFRVSA-N 444.576 4.129 5 20 IIBD CCCCC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1[N+](=O)[O-] 1804344937 NUTJUUOVFVBKDJ-CABLCSAHSA-N 427.545 4.463 5 20 IIBD CC/C=C(\C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)n[nH]1 1821169221 RZKJHRHSFRQPLM-LGWVBRRBSA-N 429.452 4.119 5 20 IIBD CC(C)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)n[nH]1 1821843973 LXURHBUMKSUWKS-LJQANCHMSA-N 445.495 4.128 5 20 IIBD Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(C)CCCC3)CC2)ncc1[N+](=O)[O-] 1823845513 KTVTYNKSXRLCKW-FQEVSTJZSA-N 442.560 4.112 5 20 IIBD CC(C)(C)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1826338898 ZVHGHERVWBQPOK-IBGZPJMESA-N 433.524 4.403 5 20 IIBD Cc1ccccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 1829943407 SSIWFOTUNKQWGA-IBGZPJMESA-N 425.485 4.043 5 20 IIBD Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)c(C)c1 1829949577 FQQSNRAIQOOMSS-NRFANRHFSA-N 438.528 4.087 5 20 IIBD O=C(c1cccs1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830615840 GMRKDRJJYPHWQX-SFHVURJKSA-N 445.516 4.343 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)c1 3463927 DWEKENIFUHCWFU-UHFFFAOYSA-N 440.477 4.167 5 20 IIBD C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 5972784 UMCZYKVTWRXUBU-IAGOWNOFSA-N 425.485 4.153 5 20 IIBD Cc1ccc(C(=O)c2ccccc2C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 10862760 VFNINZUKUJYDRP-INIZCTEOSA-N 432.432 4.318 5 20 IIBD Cc1c(C(=O)OCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)cccc1[N+](=O)[O-] 11397621 LXZVETSRDAGTNP-KRWDZBQOSA-N 439.449 4.092 5 20 IIBD O=C(COC(=O)CCc1ncc(-c2ccccc2)o1)Nc1ccc(Cl)cc1[N+](=O)[O-] 11942376 AQIHCWUILBWXAW-UHFFFAOYSA-N 429.816 4.018 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccc(-c2ccccc2)nc1C 16166277 OIJZFRYJPGYSRY-HNNXBMFYSA-N 435.436 4.158 5 20 IIBD COc1cc(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)c([N+](=O)[O-])cc1OC 21533876 QVGNSHAOPWURQF-UHFFFAOYSA-N 428.470 4.074 5 20 IIBD COc1ccc([C@H](CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])N2CCCCC2)cc1 27668852 JBYRHMVLUKENHO-NRFANRHFSA-N 429.542 4.282 5 20 IIBD O=C(COc1ccccc1-c1ccccc1)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 28614626 GJNZWBJGSWOSEN-UHFFFAOYSA-N 431.404 4.434 5 20 IIBD O=[N+]([O-])c1ccc(Sc2nc3ccc(Cl)cc3[nH]2)c(S(=O)(=O)N2CCCC2)c1 29166002 NCLHONDGANJCGI-UHFFFAOYSA-N 438.918 4.060 5 20 IIBD COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1cc([N+](=O)[O-])ccc1OC)CC2 61204862 WBDIIGPCCGHWOO-DEOSSOPVSA-N 448.475 4.409 5 20 IIBD Cc1c(NC(=O)CCN2CCO[C@H](c3ccc(Br)cc3)C2)cccc1[N+](=O)[O-] 109099458 FKEYLCLMQZOLKQ-IBGZPJMESA-N 448.317 4.068 5 20 IIBD Cc1cnc(N2CCC[C@H]2c2nc(Cc3ccc(Br)cc3)no2)c([N+](=O)[O-])c1 301416539 CEPFBBQWUXIURV-HNNXBMFYSA-N 444.289 4.376 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 302755903 QHIRKOBFMJIDLR-UHFFFAOYSA-N 439.825 4.237 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCC(Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cc1 303031158 UENCFZUFEHCPIT-UHFFFAOYSA-N 443.447 4.187 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCCN2c3ccccc3C[C@H]2C)cc1[N+](=O)[O-])c1ccccn1 303060064 LNFCZKAONUEFIL-QZTJIDSGSA-N 445.523 4.344 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)cc1C 303099232 KKLFFPCWLVKZHI-UHFFFAOYSA-N 431.445 4.017 5 20 IIBD CN(CCc1cccc2ccccc12)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303449757 JGDXRMKECSQHGM-LJQANCHMSA-N 437.521 4.115 5 20 IIBD CCCN(C(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)[C@H]1C[C@@H](OCC)C12CCCC2 303841520 NAEQGEYJPBLXON-VQTJNVASSA-N 427.501 4.439 5 20 IIBD CCN(C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H](COC)Cc1ccccc1 426280192 YIKYTDSYKLYSGC-LJQANCHMSA-N 439.434 4.403 5 20 IIBD Cc1cc(C)n(C[C@H](NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C(=O)O)n1 426722927 JKVFZXWQIFPTNU-KRWDZBQOSA-N 444.875 4.097 5 20 IIBD COc1ccc(-c2ccc(CN[C@@H](Cc3cccc(Cl)c3)C(=O)O)o2)c([N+](=O)[O-])c1 426743500 NZLVQVSGQCLJPE-SFHVURJKSA-N 430.844 4.302 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)N(C)[C@H]2CC[C@@H](C)C2)cc([N+](=O)[O-])c1C 430443380 CDXXTPJEGNKDJC-PBHICJAKSA-N 445.541 4.273 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(CN[C@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)cc2)C[C@@H](C)O1 433173753 LIQNMHDEUKBNHY-MFEFFIJZSA-N 437.540 4.356 5 20 IIBD COc1cccc(C(N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c2cccc(OC)c2)c1 434264214 ASISGAQGHADCJH-QHCPKHFHSA-N 447.491 4.097 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c1C 435221369 BMTMFVMPRFINRD-LBPRGKRZSA-N 449.476 4.255 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccccc1 435934022 HVWITENNKAUDJZ-QHCPKHFHSA-N 428.488 4.494 5 20 IIBD COc1cc(C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)c([N+](=O)[O-])cc1OC 437541881 AKLJZLMTVAZVBV-UHFFFAOYSA-N 445.435 4.316 5 20 IIBD Cc1ccccc1-c1cc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)n[nH]1 438654562 VKBHJVUMMMFQFE-UHFFFAOYSA-N 430.414 4.910 5 20 IIBD O=C(NCc1cccnc1-n1cccn1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 442282021 BELKWOAYNHARCI-UHFFFAOYSA-N 431.477 4.257 5 20 IIBD Cc1cc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)nn1-c1cccc(F)c1 444296986 ZXAIWLLITDEPRI-UHFFFAOYSA-N 430.414 4.706 5 20 IIBD CCOC(=O)c1cc(C(=O)N2C[C@@H](c3cccc(Cl)c3)OC[C@@H]2C)cc([N+](=O)[O-])c1 444399982 LYGPPBGDSYCCFS-DJJJIMSYSA-N 432.860 4.027 5 20 IIBD O=C(NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 445703423 YJERJNTWXNDCPZ-UHFFFAOYSA-N 445.401 4.067 5 20 IIBD O=[N+]([O-])c1ccc(CN(c2nccs2)S(=O)(=O)c2ccccc2)c(C(F)(F)F)c1 448104488 GERAAKVPQXLVSA-UHFFFAOYSA-N 443.428 4.466 5 20 IIBD Cc1cc(C(=O)N2CCN([C@H](C)c3ccc(Br)cc3)CC2)ccc1[N+](=O)[O-] 460587456 QGBQIVRHKLNBNR-OAHLLOKOSA-N 432.318 4.185 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 461454890 IPYBJBMRONKUMD-AEFFLSMTSA-N 433.430 4.208 5 20 IIBD C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 466895472 ZSDXJTQBIZSVPW-NVXWUHKLSA-N 437.525 4.283 5 20 IIBD C[C@@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1cccc(Cl)c1Cl 469413529 HCDAKTUYXDRANH-SNVBAGLBSA-N 436.251 4.046 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(Oc2nc(C)cs2)c(F)c1 470262654 CLWXSJVIPBDHCP-UHFFFAOYSA-N 439.446 4.101 5 20 IIBD COC(=O)c1nc([C@H]2CCCN2C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)sc1C 471327649 JOWFFNRQMYMCPP-OAHLLOKOSA-N 431.514 4.421 5 20 IIBD Cc1ccc(-c2noc([C@H](C)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1F 472527087 HEJXRWZLKWRGAL-AWEZNQCLSA-N 439.447 4.184 5 20 IIBD Cc1cc(=O)n(Cc2nc(O)c3c(-c4ccccc4Cl)csc3n2)cc1[N+](=O)[O-] 474408371 FMXXLVYSVNRKCN-UHFFFAOYSA-N 428.857 4.144 5 20 IIBD CCN(C(=O)Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2OC)cc1)c1ccccc1 474942785 DWFLIMKDVOVVFQ-UHFFFAOYSA-N 433.464 4.451 5 20 IIBD COc1c(C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)cccc1[N+](=O)[O-] 475763021 WCDMZJRISIHQFD-INIZCTEOSA-N 429.231 4.263 5 20 IIBD CCC(CC)(CCO)CNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 475931666 MRTVGBDIGPTICU-UHFFFAOYSA-N 445.482 4.135 5 20 IIBD CC(C)(C(=O)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1)c1ccccc1Cl 478094301 WZIKVVLNEKYFBT-UHFFFAOYSA-N 441.919 4.141 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCO[C@H](c2ccc(F)cc2Cl)C1 479287878 SSRQBHMUOSWOMZ-NRFANRHFSA-N 447.894 4.204 5 20 IIBD O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1c(Cl)cccc1[N+](=O)[O-] 479294137 YLANSLLPQHZOFX-CYBMUJFWSA-N 428.659 4.090 5 20 IIBD CCCC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1 479460174 TZIMNRJGZHZXEY-UHFFFAOYSA-N 425.894 4.404 5 20 IIBD C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 480056352 JHCALATUSHZNKM-QVKFZJNVSA-N 429.904 4.451 5 20 IIBD CNC(=O)c1cc(Oc2cc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)ccc2C)ccn1 481186023 CYKLWUIGYKGQBD-UHFFFAOYSA-N 448.479 4.366 5 20 IIBD O=c1c2c(C3CC3)csc2nc(SCCn2ccc([N+](=O)[O-])n2)n1-c1ccccc1 481246668 NVDBAVMPHNCFFU-UHFFFAOYSA-N 439.522 4.222 5 20 IIBD C[C@H](Sc1ccc(Br)cc1[N+](=O)[O-])C(=O)N1CCc2sccc2C1 485303619 YAUGFGFWDDJVJU-JTQLQIEISA-N 427.345 4.484 5 20 IIBD O=C(O)c1cc(C(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)cc([N+](=O)[O-])c1 485734626 QUGQEDXYPAYDQH-SSEXGKCCSA-N 430.482 4.127 5 20 IIBD Cn1cc(/C=C/c2nc(C(=O)O)c(Br)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 486003997 LHFKKVPNLPGJLK-QPJJXVBHSA-N 435.259 4.083 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)C(=O)N1CCCC[C@H]1C 486132738 INZROOLIBXVMMJ-CVEARBPZSA-N 427.526 4.265 5 20 IIBD O=C(N[C@@H]1CCC[C@H]1OCc1ccccc1)c1sc(Br)cc1[N+](=O)[O-] 486356135 IGTIOCBWXHXPRL-TZMCWYRMSA-N 425.304 4.287 5 20 IIBD C/C(=C\c1cccc([N+](=O)[O-])c1)CN1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 486455269 AXQZELSSBRJVAS-NPJAVOIFSA-N 431.496 4.497 5 20 IIBD O=C(NCc1nccn1C(F)F)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 486496122 IGECTQGVWGROKV-UHFFFAOYSA-N 435.818 4.382 5 20 IIBD CC(C)(NC(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1ccccc1[N+](=O)[O-] 490390027 OJKSOBDAMMILAG-OFNKIYASSA-N 429.492 4.042 5 20 IIBD Cc1cc(C[C@H](C)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n(-c2ccccc2)n1 491409821 MJSQBRHEXNRNIY-KRWDZBQOSA-N 433.512 4.394 5 20 IIBD CC(C)[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1nc(C2CC2)no1 494909650 PASJEDXJAWSCSU-CQSZACIVSA-N 427.383 4.071 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)ccc1S(C)(=O)=O 500312331 QMFIZSZLSWAYRM-UHFFFAOYSA-N 439.493 4.171 5 20 IIBD COc1cccc([C@H](C)N2CCN(c3cc(C)nc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)c1 505604925 CJCOIWXYCHRPAT-SFHVURJKSA-N 433.512 4.252 5 20 IIBD CCOc1ccc(C(=O)Nc2nc(-c3ccccc3)c(CC(=O)OC)s2)cc1[N+](=O)[O-] 509594141 VDJPUCUCOJDQFR-UHFFFAOYSA-N 441.465 4.085 5 20 IIBD COc1cc(CSc2n[nH]c(Cc3cccs3)n2)c([N+](=O)[O-])cc1OC(F)F 514924874 NABXYNCCUOHNOG-UHFFFAOYSA-N 428.442 4.268 5 20 IIBD C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1cc2c(cc1Br)OCCO2 515935704 KBBCLHHESVUNBL-SNVBAGLBSA-N 447.241 4.366 5 20 IIBD COCCCOC1CCN([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC1 517022722 AAQIXTAPGZVBBQ-QHCPKHFHSA-N 441.528 4.101 5 20 IIBD O=C(Nc1ccccc1)N1CCC[C@@H](c2nc(CCNc3ccccc3[N+](=O)[O-])no2)C1 517267836 LKKBLZCOJZCKOX-MRXNPFEDSA-N 436.472 4.044 5 20 IIBD CC(C)N1CCC[C@H](CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 519885910 OYRBIFIANZCCTI-ZWKOTPCHSA-N 425.533 4.013 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 521543498 HRLJBZDWPKVNRB-UHFFFAOYSA-N 426.285 4.093 5 20 IIBD CC(C)NC(=O)c1ccc(N[C@H]2CCN(c3ccccc3Br)C2)c([N+](=O)[O-])c1 521960176 JLAPRKHFEBZUBG-HNNXBMFYSA-N 447.333 4.186 5 20 IIBD CCN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@@H](c1ccc(Br)cc1)c1cccnc1 522176339 MLDZBZBOKJNAGS-IBGZPJMESA-N 443.301 4.343 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCN(Cc2cccnc2)CC1 522708726 GWLBSHMOBWDVSM-UHFFFAOYSA-N 433.468 4.132 5 20 IIBD C[C@H]1CCCCN1C[C@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 522842989 XERDCWMVUKFGSV-LSDHHAIUSA-N 426.464 4.315 5 20 IIBD CC[C@@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1cc(F)ccc1F 524848575 DUPILKRDEHETPF-OAHLLOKOSA-N 433.440 4.034 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@H]2c2nc3ccccc3n2C)c1C 531676187 DQKONQCBBBDCSF-IBGZPJMESA-N 428.514 4.014 5 20 IIBD CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 533215140 PWHZMDOCTAAPLC-UHFFFAOYSA-N 434.290 4.157 5 20 IIBD Cc1cc([C@@H](NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C2CC2)ccc1F 534034347 CUOVLVXYKUJXIL-IBGZPJMESA-N 441.488 4.203 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(c2ccccc2C)CC1 534215143 QRZZRKGAYCVGEZ-UHFFFAOYSA-N 428.510 4.020 5 20 IIBD CCOc1ccc(Cl)cc1CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 534480761 UEIRNSOVRXMGIC-UHFFFAOYSA-N 431.920 4.222 5 20 IIBD C[C@H](C(=O)Nc1ccccc1Cl)[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 536304533 BWYMIXRHIGDZGM-ZNNHIBJESA-N 433.873 4.179 5 20 IIBD Cc1cc(C)n(-c2ccc(CNC(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)cn2)n1 537136351 ZWPUIAUBYRKLLQ-UHFFFAOYSA-N 425.514 4.223 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCCSCC(F)(F)F)cc1[N+](=O)[O-])c1ccccn1 538803363 YEJADSSSWYQJDB-GFCCVEGCSA-N 428.436 4.188 5 20 IIBD CCCOc1cc(NC(=O)N2CCC[C@H]2Cn2ccnc2)c([N+](=O)[O-])cc1OCCC 539545165 IBPIKRYDHXAXDZ-INIZCTEOSA-N 431.493 4.065 5 20 IIBD CCCc1c(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cnn1-c1cccc(F)c1 542419597 PKJUYFIPDKEQBH-UHFFFAOYSA-N 428.420 4.142 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 542759374 YKSMZKUNBNNWPM-XJKSGUPXSA-N 449.287 4.239 5 20 IIBD COc1ccc(NC(=O)c2cnn(-c3cccc(Br)c3)c2C)cc1[N+](=O)[O-] 542924953 YFZRWRCNJRZBHV-UHFFFAOYSA-N 431.246 4.112 5 20 IIBD C[C@H](C(=O)Nc1ccc(F)cc1I)c1ccc([N+](=O)[O-])cc1F 543480669 KISQOUFSEBVAOZ-QMMMGPOBSA-N 432.164 4.220 5 20 IIBD CCOC(=O)C[C@@H](C)N(C)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 544068060 DCJXJHYWOXVVMJ-CQSZACIVSA-N 433.892 4.274 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(-c3nc(-c4ccc(Cn5cncn5)c(F)c4)no3)cs2)c1 544397202 ZHVUYJVVLUQCGC-UHFFFAOYSA-N 449.427 4.214 5 20 IIBD CC[C@@H](N[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 544455372 DJFNQRFQJTUOLO-MWLCHTKSSA-N 432.424 4.147 5 20 IIBD CC[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[C@@H](c1ccc(C)cc1)n1cncn1 545831482 BVHACEAYHZOYBE-LEWJYISDSA-N 439.491 4.096 5 20 IIBD CC(C)(C(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1)c1ccc([N+](=O)[O-])cc1F 546540597 ZASQALWFQQVYFZ-CYBMUJFWSA-N 428.386 4.091 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@H](Cc4ccccc4)C3)n2C[C@@H]2CCOC2)c1 549708245 PCHKBCVOFINSBK-RTWAWAEBSA-N 447.539 4.349 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccc(F)cc1)c1cnn(C)c1 551316530 DBNCZTULVPVAPX-SFHVURJKSA-N 447.264 4.058 5 20 IIBD CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1 551316989 QDVMCXQINGXKCD-UHFFFAOYSA-N 438.311 4.494 5 20 IIBD C[C@@H](Nc1cccc(C(=O)N(C)CC(N)=O)c1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 551566319 KHYWPDDLRLUWSO-CQSZACIVSA-N 438.509 4.054 5 20 IIBD Cc1ccc(-c2noc(-c3cc([N+](=O)[O-])ccc3C(F)(F)F)n2)c(N2CCOCC2)c1 559960206 SLEKNBFNZNKPMU-UHFFFAOYSA-N 434.374 4.476 5 20 IIBD Cc1nc(CSc2ccccc2C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)cs1 560615574 VEMYWWULYNZTQX-UHFFFAOYSA-N 425.495 4.781 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1Sc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1 564490316 XJAVUGRGSAKUFP-UHFFFAOYSA-N 445.888 4.275 5 20 IIBD COc1cccc([C@H]2[C@H](NCCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCN2C2CC2)c1 570988013 HWNDEOLLKMAHBB-RDGATRHJSA-N 448.523 4.369 5 20 IIBD COCc1nc(CNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cs1 579778607 SJHZIYFLIRMECC-UHFFFAOYSA-N 435.509 4.340 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ccc2ncsc2c1 580633443 KOEZVMZAKBAXCI-GFCCVEGCSA-N 426.498 4.318 5 20 IIBD COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 583849260 RTUGVCRONGUWQV-DIFFPNOSSA-N 425.268 4.378 5 20 IIBD C[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)c1cccc([N+](=O)[O-])c1 604107867 DVOKSSIOXOTYOG-AWEZNQCLSA-N 443.456 4.026 5 20 IIBD Cc1nc(-c2cccc(NC(=O)c3ccc(N4C[C@H](C)C[C@@H](C)C4)c([N+](=O)[O-])c3)c2)n[nH]1 604184625 CXBSWOLMTZCMJR-HUUCEWRRSA-N 434.500 4.423 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(N2c3ccccc3C[C@H]2C)CC1 604445940 QQNOTXJPYWNUIT-HZPDHXFCSA-N 443.931 4.458 5 20 IIBD Cc1ccc2nc([C@@H]3CCCN(C(=O)C4CCN(c5ccccc5[N+](=O)[O-])CC4)C3)[nH]c2c1 604539138 NYPHJNJLNWYFIU-LJQANCHMSA-N 447.539 4.402 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(-c3nc(C)c(C)o3)cc2)ccc1[N+](=O)[O-] 608805403 BUPOOOKPUMMYHH-OAQYLSRUSA-N 448.479 4.418 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N(CCc1ccccc1)Cc1cccnc1 608880002 MIHRUMZTCFQUAN-UHFFFAOYSA-N 427.464 4.061 5 20 IIBD O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1cc([N+](=O)[O-])cc2c1OCCO2 608959721 MMTDMGUSYPYWKR-UHFFFAOYSA-N 440.456 4.026 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCCNC(=O)c3ccccc3F)c([N+](=O)[O-])c2)cc1 608974583 MBRXJDBBPNSTCW-UHFFFAOYSA-N 436.443 4.137 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CC[C@@H](N4CCCCC4)C3)cc2[N+](=O)[O-])n1 609348065 LGJFDRRQKKASJY-MRXNPFEDSA-N 432.571 4.211 5 20 IIBD Cc1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)ccc1N1CCNC1=O 610365068 XVWRVHGEMQNDPS-UHFFFAOYSA-N 430.464 4.280 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCC2(CC1)OCc1ccccc12 610742911 ZDLSAGKFTUIXOX-UHFFFAOYSA-N 436.386 4.198 5 20 IIBD Cc1nsc(N2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3SC3CCCC3)CC2)n1 611206511 IXKOLYLOMAUEBO-UHFFFAOYSA-N 447.586 4.142 5 20 IIBD COc1cccc([C@@H](Nc2ncc([N+](=O)[O-])c(C)c2Br)c2nccn2C)c1 612439318 MYPVTJISEBTKFQ-MRXNPFEDSA-N 432.278 4.004 5 20 IIBD Cc1ccc(NC(=O)[C@H](N[C@H](CO)[C@H](C)c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 613390774 YXFYBHDFDBWOIG-IHLLOCCUSA-N 433.508 4.337 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2CCOCC3(CCCC3)C2)c([N+](=O)[O-])c1 613902883 YTEUFFIFSPPPDC-UHFFFAOYSA-N 438.480 4.009 5 20 IIBD COc1ccc(C(C)(C)C)cc1NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 615147996 YJELDKHUGIXXEQ-UHFFFAOYSA-N 427.501 4.277 5 20 IIBD Cc1cccc(-c2nc(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCCO4)cs2)c1 619214083 BZQMUFUPBNKUSJ-UHFFFAOYSA-N 425.466 4.369 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](c2ccccc2Br)C1 725728390 ITEGGXONEHPWOZ-IBGZPJMESA-N 448.317 4.150 5 20 IIBD O=C(OCc1nc(-c2ccc(Cl)cc2)no1)c1cc([N+](=O)[O-])ccc1Br 725983977 AWFQJHYFFDZRGQ-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD Cc1ccc(C(=O)N2CCC[C@H](COC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C2)o1 726358830 OPVMUEUEAROCKH-AWEZNQCLSA-N 428.466 4.420 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)cc1SC 728476346 WYZISQGRQRLZOT-UHFFFAOYSA-N 435.845 4.386 5 20 IIBD C[C@H](OC(=O)c1cc(F)c(F)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 728655758 FXNMQHJQWGFLAI-ZETCQYMHSA-N 436.264 4.215 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCO[C@H](c2ccccc2Cl)C1 728875810 JMXSFSXQFBAQKX-NRFANRHFSA-N 429.904 4.452 5 20 IIBD O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 729528822 FNADCECYMISTAS-UHFFFAOYSA-N 436.428 4.136 5 20 IIBD C[C@@H](OC(=O)Cc1ccccc1C(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 729764032 ZGMQSOJSWDEQAX-SNVBAGLBSA-N 430.766 4.380 5 20 IIBD CCc1nnc([C@@H](C)OC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)o1 732319816 DFCKOHFKAHGRDE-OAHLLOKOSA-N 447.451 4.240 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N[C@@H]2CCCc3nc(C)ncc32)c([N+](=O)[O-])c1 734832492 HLTIIIKFGQJAII-HXUWFJFHSA-N 446.463 4.200 5 20 IIBD CCCOc1cc(NC(=O)c2cnn(-c3ccc(F)cc3)n2)c([N+](=O)[O-])cc1OCCC 737483986 JSSODPKJCJSAJB-UHFFFAOYSA-N 443.435 4.145 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCSCc1nc(O)c2ccccc2n1 739688241 MCICFJVUIZXHCH-UHFFFAOYSA-N 446.916 4.179 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H](O)c2c(F)cccc2Cl)CC1 741297754 GRZJMFPQNPVBNW-LJQANCHMSA-N 435.883 4.087 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1F)c1nn(-c2cccc(Br)c2)c2c1CCC2 741522845 AJVMPZNNIZPTEO-UHFFFAOYSA-N 445.248 4.423 5 20 IIBD C[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC[C@H]1c1ccccc1 742315239 FSTCFWWLDLJWJT-XJKSGUPXSA-N 439.331 4.172 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 742396186 LIEZXWASKDGFDA-AOOOYVTPSA-N 427.301 4.119 5 20 IIBD CN(Cc1ccco1)Cc1ccccc1CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O 742411784 WBLRJHJVYUYSEY-UHFFFAOYSA-N 436.468 4.389 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 742890357 RAYPLGCQHSYXGS-GFCCVEGCSA-N 430.417 4.341 5 20 IIBD O=C(O[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1cc([N+](=O)[O-])ccc1Cl 744479262 DRTWOTZNFPRQHB-INIZCTEOSA-N 440.786 4.202 5 20 IIBD COc1ccc(OCCOC(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)c([N+](=O)[O-])c1 744740112 CIUUNVOQRRMYOR-LLVKDONJSA-N 430.240 4.300 5 20 IIBD Cc1ccc(-c2ocnc2C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 745357098 FHSJVBIWIVTWGD-UHFFFAOYSA-N 449.341 4.373 5 20 IIBD COc1ccccc1N(C(C)=O)c1nc(COC(=O)c2cc(C)ccc2[N+](=O)[O-])cs1 745386675 XLPHFMBITMKNDK-UHFFFAOYSA-N 441.465 4.410 5 20 IIBD O=C(OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1cc(-c2ccccc2)ns1 747234550 WIOVHTXXBCNKMF-MRXNPFEDSA-N 437.477 4.180 5 20 IIBD O=C(OCCn1ccc([N+](=O)[O-])n1)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CC2 748103390 HWRRAUCNATZZLG-CCEZHUSRSA-N 430.420 4.276 5 20 IIBD O=C(COC(=O)c1ccnc(Oc2ccccc2)c1)Nc1ccc([N+](=O)[O-])cc1Cl 749289631 CBAWZYDVQZTRAQ-UHFFFAOYSA-N 427.800 4.231 5 20 IIBD C[C@H](OC(=O)c1cccc(Cl)c1[N+](=O)[O-])C(=O)Nc1ccc(N2CCCCC2)cc1 750535778 RTNNUSCCHZYKGB-AWEZNQCLSA-N 431.876 4.423 5 20 IIBD CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1 751635341 PXHHUICVVRDRAA-LBPRGKRZSA-N 436.873 4.113 5 20 IIBD CC(C)Nc1ccc(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cn1 752793338 IFPZTTDBOGQCHB-LJQANCHMSA-N 440.500 4.052 5 20 IIBD O=[N+]([O-])c1cccc2c1CCN2Cn1nc(-c2cccs2)n(C[C@H]2CCCO2)c1=S 754776278 JDRCALKCLUOQFH-CQSZACIVSA-N 443.554 4.250 5 20 IIBD CCOCCOCc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2Br)c1C 758523896 HFIAWWAQYGLEOD-UHFFFAOYSA-N 437.290 4.471 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1c(-n2cccc2)sc2c1CCC2 758814998 BVXUOTXQTXPKRK-UHFFFAOYSA-N 436.449 4.343 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1N)c1ccccc1 758958335 SOBRWPJLPQEDTR-NRFANRHFSA-N 435.436 4.031 5 20 IIBD C[C@@H]1CC(=O)CC[C@H]1C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 760552717 BHUATXJIBSLMIA-YXKFXFPPSA-N 444.871 4.477 5 20 IIBD CC(C)(C)Sc1ccc(-c2noc(-c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)n2)nc1 762387338 OAXCFCFRJSMQRZ-UHFFFAOYSA-N 434.499 4.001 5 20 IIBD CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)CC1 763489949 CPLFDYOYVAAIDX-SFHVURJKSA-N 425.382 4.060 5 20 IIBD O=C(COC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)Nc1ccccc1-c1ccccc1 763868713 DAAWPZRTBHZFJL-UHFFFAOYSA-N 442.431 4.243 5 20 IIBD C[C@H](OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1nc(-c2ccc(Cl)cc2)no1 763872435 ZUZDALFWOZNVCK-LBPRGKRZSA-N 439.815 4.402 5 20 IIBD COc1ccsc1[C@H]1NC(=O)N(CC2CC2)C(C)=C1C(=O)Nc1ccc([N+](=O)[O-])cc1 764987436 JMBBUPJAOJUBSD-SFHVURJKSA-N 442.497 4.054 5 20 IIBD C[C@@H](OC(=O)c1cncc2ccccc12)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 772289201 YDJDKCMVZWEJDP-CYBMUJFWSA-N 448.460 4.451 5 20 IIBD CS[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)C1 772476784 BPQNOVBZVHKKQR-WCQYABFASA-N 437.568 4.146 5 20 IIBD COc1cc([C@@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1S(=O)(=O)C(F)F 773049437 RQEIOUBRYGPDSS-QWHCGFSZSA-N 428.457 4.320 5 20 IIBD Cc1noc(C)c1[C@H](C)C(=O)O[C@@H](c1ccc(Br)cc1)C(C)(C)[N+](=O)[O-] 774367179 PYYGHBACZFKVOU-QFYYESIMSA-N 425.279 4.497 5 20 IIBD CC(C)CCn1cc(C(=O)O[C@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])nn1 774373725 PMRBZKCKKZCUBZ-MRXNPFEDSA-N 439.310 4.040 5 20 IIBD O=C(CSc1ccc2c(c1)OCCO2)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776136121 VMAAGGXKGZMODW-QFIPXVFZSA-N 438.461 4.186 5 20 IIBD O=C(O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)c1csc(Cc2cccc(F)c2)n1 778790254 YDUAHXGQXQFWTA-SFHVURJKSA-N 427.457 4.217 5 20 IIBD CCCN1C(=S)N[C@H](c2ccc([N+](=O)[O-])s2)C(C(=O)Nc2ccccc2OC)=C1C 782244111 FBAJMHKJJBQRKY-GOSISDBHSA-N 446.554 4.219 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@@H]1CCCc2cn(C3CCCC3)nc21 782371226 XXKPXQSUJQPTHA-MRXNPFEDSA-N 429.433 4.091 5 20 IIBD COc1cccc([C@H](OC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c2ccncc2)c1 782455852 JVPILCUDMRGBTI-JOCHJYFZSA-N 430.420 4.131 5 20 IIBD O=C(COc1ccc2ccc(=O)oc2c1)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] 782849841 DFZLHSVVELZFKK-UHFFFAOYSA-N 446.415 4.298 5 20 IIBD CSc1nc2ccc(NC(=O)C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)cc2s1 783299995 XTHSNLYHVNUDRV-UHFFFAOYSA-N 442.522 4.056 5 20 IIBD Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1c1cccs1 784729565 FVYWJDSTQDIEBW-GFCCVEGCSA-N 431.333 4.253 5 20 IIBD O=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 785719491 VWJFFOIFSNPSSV-UHFFFAOYSA-N 427.310 4.123 5 20 IIBD CCCC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 785951741 XXMPYMRYVCHWMO-ZDUSSCGKSA-N 432.860 4.344 5 20 IIBD COc1ccccc1N(CC[C@H]1CCCO1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 786731890 HDKZPYVHTGOIME-OAHLLOKOSA-N 440.905 4.021 5 20 IIBD C[C@@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(S(=O)(=O)C(F)F)cc1 786928475 RXJKLEXJROHEOI-SNVBAGLBSA-N 438.374 4.461 5 20 IIBD CC(=O)Nc1ccc(Cl)c(C(=O)O[C@H]2CCCN(c3ccc(F)cc3[N+](=O)[O-])C2)c1 787025399 KFNUNMLOXADYBG-HNNXBMFYSA-N 435.839 4.172 5 20 IIBD C[C@H](NC1CCN(Cc2ccc(Br)cc2)CC1)c1ccc(N)c([N+](=O)[O-])c1 788629426 BIHPCARLXUJYNF-AWEZNQCLSA-N 433.350 4.255 5 20 IIBD O=C(O[C@H]1CCc2cccnc21)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 789675389 NIZFYSFACAHAQX-SFHVURJKSA-N 435.402 4.456 5 20 IIBD CCC(CC)N(c1cccc(C)c1)S(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 795238608 MFKJTJLXFKQQJC-UHFFFAOYSA-N 447.513 4.244 5 20 IIBD COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Oc1cc([N+](=O)[O-])ccc1Cl 795865111 AKIDMIBVECYZDE-UHFFFAOYSA-N 440.644 4.109 5 20 IIBD COc1ccc(F)c2[nH]c(C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc12 796198586 KIYBWNUDCFQPAX-VIFPVBQESA-N 435.795 4.061 5 20 IIBD C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(O)(c2scnc2Br)CC1 797603886 DWJZNRCGFMDZBV-LCYFTJDESA-N 438.347 4.201 5 20 IIBD Cc1nc(-c2ccc(C(=O)OCCNC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)cs1 799603960 AKQHJTHGFRQOBD-UHFFFAOYSA-N 445.884 4.267 5 20 IIBD CC(C)[C@@H](NC(=O)COC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 802652821 KKAWSQJWMJTMCQ-JLTOFOAXSA-N 434.489 4.271 5 20 IIBD CCc1nn(C)c(Sc2nnc(CSc3nc4ccccc4s3)n2C)c1[N+](=O)[O-] 807922301 ORDROOKDONBYAM-UHFFFAOYSA-N 447.571 4.072 5 20 IIBD C[C@@H](OC(=O)COc1cccc([N+](=O)[O-])c1)c1ccc(S[C@H]2CCCCNC2=O)cc1 809046332 DAYNFGBZIFTFKC-QRWLVFNGSA-N 444.509 4.039 5 20 IIBD Cc1ccc(CN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C(C)C)s1 810393252 FMMZEAFBSAXIHX-UHFFFAOYSA-N 440.319 4.103 5 20 IIBD CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 811435663 QNKWCUNAIPIAPW-JKSUJKDBSA-N 445.472 4.062 5 20 IIBD CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)c1 813245276 OEJVUGSLYUJTKE-UHFFFAOYSA-N 446.312 4.183 5 20 IIBD O=C(NC1CCCC1)OC[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 813265787 HAXJYMFHLXMKAU-OAHLLOKOSA-N 443.422 4.277 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1 813291707 ZYLYOISXUVWOKE-SFHVURJKSA-N 431.411 4.285 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] 813670876 YJKSTPBEVAQDFP-SZMVWBNQSA-N 432.521 4.005 5 20 IIBD O=[N+]([O-])c1ccc(-c2ncn(CN3CCC[C@H]3c3cccc(Br)c3)n2)cc1 917481842 BTFQUMPPBSQWDS-SFHVURJKSA-N 428.290 4.410 5 20 IIBD Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 918098561 CKJUYGAOLPBDLI-UHFFFAOYSA-N 433.512 4.052 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)c1cc(-c2ccccc2)on1)c1cccc([N+](=O)[O-])c1 918632500 IHLZORZVBSKKIH-IBGZPJMESA-N 449.463 4.492 5 20 IIBD Cc1c(C(=O)O[C@@H](C(=O)NCc2ccccc2)c2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 919226602 ANWMNQZWVKQYAU-OAQYLSRUSA-N 449.419 4.026 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)Sc2ccccc2Cl)c([N+](=O)[O-])c1 919506808 MIMHBNNGZPFTAJ-NEPJUHHUSA-N 438.889 4.308 5 20 IIBD O=C(OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc2[nH]c3c(c2c1)CCCC3 920147959 IOMHFHHGNPKLFN-UHFFFAOYSA-N 441.871 4.195 5 20 IIBD C[C@H](Nc1ccc(C(=O)O[C@H](C)C(=O)NCc2ccccc2)cc1[N+](=O)[O-])c1ccccn1 920549290 XAGNQRLJGLLTEI-DLBZAZTESA-N 448.479 4.025 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O[C@H](C)C(=O)Nc1ccccc1Cl 920779330 SNTJLDPYFSIWDN-MNOVXSKESA-N 427.240 4.239 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1C[C@@H]2CCCC[C@@]21c1ccccc1 1116262215 RIRUYAWFMVZMKT-MHECFPHRSA-N 435.480 4.211 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@@H](c2ccc(Cl)s2)C1 1254318965 AENDICMGQZACBV-CQSZACIVSA-N 430.313 4.289 5 20 IIBD CCn1nc(C(C)C)cc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1318595563 NEHXBSMDKDLNLF-LLVKDONJSA-N 442.394 4.137 5 20 IIBD O=C(CC1(CC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CCCCC1)Nc1nccs1 1318728612 CUGQYEPQFHVINB-UHFFFAOYSA-N 428.514 4.263 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(Cn1nc(-c3ccncc3)n(-c3ccccc3)c1=S)CC2 1322475540 XBMYHVSMNHQIKV-UHFFFAOYSA-N 444.520 4.389 5 20 IIBD CN(C1CCCCC1)S(=O)(=O)c1ccc(-c2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1 1327072340 FYISSDHMABJBBL-UHFFFAOYSA-N 442.497 4.265 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Oc2cccc(Br)c2)CC1 1337856211 HRROQJQZXWCTKC-UHFFFAOYSA-N 434.290 4.083 5 20 IIBD Cc1oncc1C(=O)NC1(c2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2)CCC1 1790696542 HBDQOZGWCTVUTN-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD CC(C)(C)CC(=O)N1CCCC2(CCN(C(=O)Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)C1 1809034407 UEQPMEWDYHLDPW-UHFFFAOYSA-N 449.979 4.458 5 20 IIBD CC(C)(C)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2cc([N+](=O)[O-])ccc2F)n[nH]1 1815642316 JCMQRGKTDZVNOP-SFHVURJKSA-N 445.495 4.128 5 20 IIBD CC/C=C(\C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)[nH]n1 1823090223 GAQJKRFLQTXADF-FALBMNKOSA-N 439.516 4.299 5 20 IIBD C[C@@H]1C[C@]1(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830223987 NZQYUPKRODWVPO-VVWXKSFDSA-N 431.508 4.013 5 20 IIBD CCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 1831389796 FATNYWBVLGNPCJ-IBGZPJMESA-N 445.560 4.273 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 14401196 KMKKLTXXVNQQMF-MRXNPFEDSA-N 435.274 4.170 5 20 IIBD CCc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)n2)cc1 14620823 KHJUBKZEVACRPF-UHFFFAOYSA-N 438.509 4.370 5 20 IIBD COc1ccc(CNc2nnc(S[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])s2)cc1 16324421 BWWOCWALYIISGD-LBPRGKRZSA-N 445.526 4.186 5 20 IIBD Cc1cc(CSc2ccccc2C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)on1 16698719 OCGNEYLJGZIBOQ-UHFFFAOYSA-N 442.449 4.407 5 20 IIBD C[C@H](OC(=O)[C@H]1COc2ccc(Cl)cc2C1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 16797207 ZBSQAZNKLTUXKF-SMDDNHRTSA-N 429.816 4.154 5 20 IIBD COc1ccc([N+](=O)[O-])cc1OC(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1 18182866 SSKGINQJPTUEHL-UHFFFAOYSA-N 442.497 4.047 5 20 IIBD C[C@H](OC(=O)c1ccc(Cl)c(N)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 21346326 PPPVDJVBMMTQDP-QMMMGPOBSA-N 431.754 4.033 5 20 IIBD CCS(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1 21692478 QJXKUURPPBSOGK-UHFFFAOYSA-N 439.493 4.253 5 20 IIBD COc1cc(OC)cc(-c2nnc(SCCC(=O)Nc3ccc([N+](=O)[O-])cc3C)o2)c1 26352867 QCRHDCYTTQPYHH-UHFFFAOYSA-N 444.469 4.091 5 20 IIBD CCOC(=O)c1c(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)sc2c1CCSC2 60448189 ORYRMYGRYBXKQP-UHFFFAOYSA-N 447.538 4.449 5 20 IIBD Cc1cc(NC(=O)CCc2ncc(-c3ccccc3F)o2)n(-c2ccc([N+](=O)[O-])cc2)n1 105583490 VWUOPEIHYIAMOL-UHFFFAOYSA-N 435.415 4.454 5 20 IIBD CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1cc(F)cc([N+](=O)[O-])c1N 108674923 JGOWCIRIYQPNDI-UHFFFAOYSA-N 443.454 4.330 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NCC(=O)Nc1ccccc1C(=O)NCc1ccccc1 218027466 RAQTXDDFWJUALX-UHFFFAOYSA-N 432.480 4.192 5 20 IIBD COc1cc(CNCc2cc(Br)ccc2OC(F)F)c([N+](=O)[O-])cc1OC 237292664 ZQCKVMSDVRWZCK-UHFFFAOYSA-N 447.232 4.266 5 20 IIBD C[C@@H](CNCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)CN1CCN(C)CC1 237406828 KOMAJPXKCBGGIP-KRWDZBQOSA-N 432.952 4.014 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(N2CCc3ccccc32)CC1 410322822 DTWYUCZLSAONOJ-OAHLLOKOSA-N 429.904 4.069 5 20 IIBD Cc1sc2ncnc(SCCC(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)c2c1C 427969898 GLXNQIUBUKUKEM-UHFFFAOYSA-N 444.538 4.120 5 20 IIBD CNC(=O)c1cc(Oc2ccccc2NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)ccn1 428854517 BFPCLQMCUBINML-AWEZNQCLSA-N 435.440 4.024 5 20 IIBD CCOc1ccc([C@H](C)NC[C@@H](CO)Cc2ccc(Br)cc2)cc1[N+](=O)[O-] 429415783 GQMRLVHLFBSLRP-HOCLYGCPSA-N 437.334 4.258 5 20 IIBD Cc1noc(C[C@@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c2ccccc2)n1 429506608 AZUXKFMOUJSPTO-QGZVFWFLSA-N 435.465 4.124 5 20 IIBD CC(C)c1ccc(-n2cnnc2SCC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 430876787 SOLNUVYICOVWLY-UHFFFAOYSA-N 439.541 4.443 5 20 IIBD O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(Oc2ncc(Br)cn2)c1 431884084 UIXRQJBGKDTULU-UHFFFAOYSA-N 429.230 4.121 5 20 IIBD COc1ccc(CN(Cc2ccccc2)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 437474459 NZCIRVHMPTUFFY-UHFFFAOYSA-N 433.464 4.079 5 20 IIBD O=C(NCC(F)(F)F)c1ccc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])cc1 439257501 JLYATIFITGRWJT-UHFFFAOYSA-N 444.369 4.201 5 20 IIBD Cc1c(NC(=O)C(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)cccc1[N+](=O)[O-] 441642930 IFSXZNCZNKMAER-UHFFFAOYSA-N 430.464 4.095 5 20 IIBD O=C(Nc1cccc(NC(=O)C2CCCCC2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 441707212 OWECGFXVHRWOSL-UHFFFAOYSA-N 444.875 4.344 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 443954574 BTKHPCBMILYNOX-AWEZNQCLSA-N 436.390 4.157 5 20 IIBD CC(C)C[C@@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)C(=O)OC(C)(C)C 444254122 ZZSWRVXJAXEDPQ-GOSISDBHSA-N 426.488 4.307 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N(Cc1ccc(OC(F)F)c(OC)c1)C1CC1 444919028 CIDIYXXRIBTVGX-UHFFFAOYSA-N 437.399 4.410 5 20 IIBD Cc1cc(C)c(NC(=O)Cc2noc(CCOc3ccc(Cl)cc3[N+](=O)[O-])n2)c(C)c1 445346541 ZNZUKRWJKRMGBO-UHFFFAOYSA-N 444.875 4.359 5 20 IIBD CC[C@@H](Cc1nc(Cc2cc(OC)cc(OC)c2[N+](=O)[O-])no1)c1ccc(OC)cc1 445819969 DOQSYKJHROCJFL-AWEZNQCLSA-N 427.457 4.331 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1(c2noc([C@@H]3CCOC3)n2)CCCCCC1 446480009 NGLKIHDLDRUREC-OAHLLOKOSA-N 429.477 4.161 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 447813186 QDFSAYVAFJABLO-GOSISDBHSA-N 442.585 4.146 5 20 IIBD COC(C)(C)C[C@H](C)NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 460291148 UBGZWHHQZBUNBQ-KRWDZBQOSA-N 436.512 4.310 5 20 IIBD CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c1 461406640 KUZOXOQZYHJWIR-UHFFFAOYSA-N 446.891 4.203 5 20 IIBD CCCC[C@H](C)N(C)C(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 461631265 KKWLGKVQGRKWPE-HNNXBMFYSA-N 449.529 4.055 5 20 IIBD COc1cc(N[C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)ccc1[N+](=O)[O-] 463080213 UEXPTXXXIDBQLC-NRFANRHFSA-N 430.457 4.348 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N(C[C@H]3CCOC3)C3CC3)c([N+](=O)[O-])c2)c(C)c1 463470423 PVZDCHZKKJEYGJ-QGZVFWFLSA-N 445.541 4.018 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N[C@@H](Cc1ccccc1)c1ccccc1F 465135018 AGFQYFDDVQAGRP-FQEVSTJZSA-N 436.439 4.148 5 20 IIBD C[C@H]1[C@@H](C)N(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC[S@@]1=O 466439543 TYDXPYKZNORVCI-ZBYRNGAHSA-N 438.958 4.381 5 20 IIBD C[C@H](CCN1CCOCC1)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 467724477 OLKUACDEXRWICB-OAHLLOKOSA-N 449.960 4.240 5 20 IIBD O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 468179453 SIFYVDAFGFECFH-ZDUSSCGKSA-N 445.928 4.140 5 20 IIBD CCOc1ccc([C@@H](C)N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1[N+](=O)[O-] 468822980 CPTLEMHCACUXRI-AUUYWEPGSA-N 433.455 4.114 5 20 IIBD CC[C@H]1CN(C(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)CC[C@@H]1c1ccccc1 470018594 PYUDGSRHLZFQLZ-ICSRJNTNSA-N 446.507 4.105 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 470231296 GILCNEWBUKBMCW-MRXNPFEDSA-N 447.278 4.381 5 20 IIBD CCC1(CC)Oc2ccc(NC(=O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc2O1 471057265 WBOXPIGUCFWPIS-UHFFFAOYSA-N 439.468 4.012 5 20 IIBD CCC[C@@H](NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)C(=O)N1CCc2sccc2C1 475636668 HYJICDPXNRXLRL-MRXNPFEDSA-N 430.530 4.148 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H](CO)Cc3ccccc3)o2)c(Br)c1 479463980 HKGTZTPBNUBUNK-OAHLLOKOSA-N 431.286 4.311 5 20 IIBD CO[C@@H](c1ccccc1Cl)[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 479623497 POBAZYBXIWHADG-BBATYDOGSA-N 441.709 4.446 5 20 IIBD CC[C@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)c(S(=O)(=O)NC)c1 482001112 LTDXJCJCFLCMBI-INIZCTEOSA-N 446.356 4.093 5 20 IIBD COc1cccc(CN(CCN(C)C)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 484362753 TZUBDOIPMWWUAD-UHFFFAOYSA-N 440.422 4.218 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(Br)c(Cl)c2)c(C)c([N+](=O)[O-])c1 485963466 ZOCQSOMAMPJLPO-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD CCS(=O)(=O)c1c(Cl)cccc1CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 487153035 FRVMGSHPHXBKOY-UHFFFAOYSA-N 436.839 4.350 5 20 IIBD CCOc1ccc(C2(CNC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])CCOCC2)cc1 488098840 WPFUKABEFRAPDJ-UHFFFAOYSA-N 441.528 4.276 5 20 IIBD O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1ccc(Br)cc1[N+](=O)[O-] 490247069 POFCYOACHNDUEO-NSHDSACASA-N 442.672 4.159 5 20 IIBD C[C@@H](Sc1ccc(Br)cc1)C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 490361432 DUKXZKGWVOXYRE-SNVBAGLBSA-N 448.302 4.262 5 20 IIBD COC(=O)c1cc(C(=O)N[C@H](c2ccccc2OC(F)F)C(F)(F)F)cc([N+](=O)[O-])c1 493573091 NOMXELRNSFNMEU-CQSZACIVSA-N 448.300 4.016 5 20 IIBD COc1cc(CNCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])c2ccccc2n1 493767047 RWEWPAOZQVWOQR-UHFFFAOYSA-N 433.411 4.094 5 20 IIBD COc1ccc(I)c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1 497339824 FZXYEFHBHXERJX-UHFFFAOYSA-N 438.177 4.207 5 20 IIBD C[C@H](CCc1ccc(Br)cc1)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 500708036 BSFJFEMJZAACQA-CQSZACIVSA-N 430.302 4.450 5 20 IIBD C[C@H](Nc1ccc(CC(=O)N2CCc3ccccc32)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 501968918 MRARZVPKXRTXAF-KRWDZBQOSA-N 444.491 4.166 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cnn(Cc3ccncc3)c2)cc1 503847490 RSGFZLZRBLIVSB-UHFFFAOYSA-N 445.435 4.288 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1cc(CC(C)(C)C)nn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 504109452 JWRWVEAYNHQVJQ-MRXNPFEDSA-N 449.511 4.185 5 20 IIBD Cc1cc(N2C[C@H](c3nc(-c4cccc([N+](=O)[O-])c4)no3)CC2=O)ccc1Br 505031281 WAIRMPLNMZWTDZ-CYBMUJFWSA-N 443.257 4.236 5 20 IIBD Cc1c(NC(=O)C(=O)N(Cc2ccccc2C(F)(F)F)CC2CC2)cccc1[N+](=O)[O-] 506683227 PJOSMYUKUGMBEW-UHFFFAOYSA-N 435.402 4.299 5 20 IIBD Cc1ccc(NC(=O)[C@H]2CCCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)nc1 507996944 GFJNPFHICKSMAV-KRWDZBQOSA-N 437.525 4.272 5 20 IIBD O=C(c1ccc(Br)c(OC(F)(F)F)c1)N1CCc2ccc([N+](=O)[O-])cc21 509122772 KYCUNOGMNHTZNX-UHFFFAOYSA-N 431.164 4.459 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2cc3c(cc2Cl)OCCO3)cc1[N+](=O)[O-] 509885886 ZRFWAVISYHFTTN-UHFFFAOYSA-N 427.638 4.343 5 20 IIBD COc1ccc([C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c2ccc(F)cc2)cc1 512042898 ZVNBBLZLZQAWSY-OAQYLSRUSA-N 430.457 4.119 5 20 IIBD O=C(N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 512290273 SPLKXRWXRIBEJA-KBXCAEBGSA-N 438.402 4.434 5 20 IIBD CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)s1 513081296 FNRKQOHBKTXNDC-STQMWFEESA-N 429.502 4.022 5 20 IIBD CSCC[C@H](N[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1nnc2ccccn12 513788230 NIXQPBCBYZYAOH-NEWSRXKRSA-N 425.558 4.433 5 20 IIBD COc1ccc(CCCC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(OC)c1 513947947 DTQUYEKHBHEZNB-UHFFFAOYSA-N 428.485 4.005 5 20 IIBD C[C@H]1CN(c2ccccc2NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1 515615465 WGLVXYVEKNOLOB-ROUUACIJSA-N 438.528 4.064 5 20 IIBD CCCCCN(Cc1ccc(Cl)cc1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 515962165 XEYLQJXNOCIVQJ-UHFFFAOYSA-N 433.892 4.414 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 516254357 GOWLSMCGVGYNMW-UHFFFAOYSA-N 433.530 4.179 5 20 IIBD COc1ccc(Cl)cc1C1(CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CCOCC1 516750109 OHYBYVGYFQNLGB-OAHLLOKOSA-N 447.919 4.365 5 20 IIBD COc1ccc(C2=NN(C(=O)CSc3ncccc3[N+](=O)[O-])[C@H](c3ccco3)C2)cc1 517803838 UDEZGBPHTUCDMS-SFHVURJKSA-N 438.465 4.061 5 20 IIBD CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1cc2ccccc2c2cccnc12 520504010 TWWGMKDEKRHPIF-UHFFFAOYSA-N 447.560 4.146 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(F)c(NC(=O)c2ccoc2C)c1 520769863 QRSJWWRFQUNCHY-UHFFFAOYSA-N 447.444 4.251 5 20 IIBD CC(=O)NC[C@@H]1CCCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 520774633 OWYPCIRGPHVACT-KRWDZBQOSA-N 427.526 4.043 5 20 IIBD Cc1cc(S(=O)(=O)Nc2cnn(-c3ccc(F)cc3)c2C(F)(F)F)ccc1[N+](=O)[O-] 520908587 YIZUMSLOPRKQFX-UHFFFAOYSA-N 444.366 4.048 5 20 IIBD O=C(NC1CCCCC1)N1CCC(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 524171005 JMENENLCJDQWOR-UHFFFAOYSA-N 426.517 4.451 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 524304739 KCPOURUASSHTQP-MRXNPFEDSA-N 429.326 4.080 5 20 IIBD COC(=O)[C@@H]1CN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c2ccccc21 530455846 BJZAHZOZAXSANM-MAUKXSAKSA-N 446.463 4.080 5 20 IIBD COc1ccccc1C(=O)N1[C@H](C(=O)N(C)c2cccc([N+](=O)[O-])c2)C[C@H]2CCCC[C@@H]21 533606778 YZFXDUKLGXSAAD-CZAAIQMYSA-N 437.496 4.040 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCC1(c2ccc3c(c2)OCCO3)CCCC1 533924514 MIWMDTHGEBFWKE-UHFFFAOYSA-N 435.480 4.018 5 20 IIBD CC(C)NS(=O)(=O)Cc1ccc(CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)cc1 534145935 BBYISJSDZUVWKF-UHFFFAOYSA-N 440.525 4.097 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC(C)C)cc1F 534958152 SFCDOHJPVHODDO-UHFFFAOYSA-N 436.461 4.429 5 20 IIBD O=C(NCc1ccc(Cn2cnc3ccccc32)cc1)c1c[nH]c2cccc([N+](=O)[O-])c12 534962501 YRNMFJUHXRGIHW-UHFFFAOYSA-N 425.448 4.404 5 20 IIBD CCc1nc(-c2ccccc2NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)n[nH]1 535192300 VIXSCVXSGMKIFZ-UHFFFAOYSA-N 430.262 4.266 5 20 IIBD Nc1ncncc1CNC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 535633978 ZNATWESUVZLFFZ-UHFFFAOYSA-N 449.414 4.067 5 20 IIBD CC[C@H](CCO)NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 535911379 UTAZTOHINSPKAE-HJUDDPQBSA-N 425.510 4.412 5 20 IIBD O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 537456069 IPAPJUKEIRLFOG-UHFFFAOYSA-N 426.392 4.236 5 20 IIBD O=C1COc2cc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c(Br)cc2N1 537456788 YRYYGXFEMOIXMA-UHFFFAOYSA-N 448.254 4.155 5 20 IIBD CCc1nc(CN2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)CC2)cs1 538237426 WQUIBDWPQHHHAH-UHFFFAOYSA-N 434.587 4.072 5 20 IIBD CN(C(=O)Cc1ccc(NC(=O)C2CC2)cc1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 538251289 HPYUVTOXGYLHRP-UHFFFAOYSA-N 436.493 4.272 5 20 IIBD Cc1cc(NC(=O)c2cc3sc(N(C)C)nc3s2)n(-c2ccc([N+](=O)[O-])cc2)n1 538414167 APALMJHUBZOSQV-UHFFFAOYSA-N 428.499 4.078 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C3)cs1 540041556 WBWIKQLRDHLQDI-UHFFFAOYSA-N 435.552 4.144 5 20 IIBD COc1cc(Br)ccc1CCC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 541996968 QHJRHZSXCKIKMC-UHFFFAOYSA-N 433.302 4.490 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(CCCOCc3ccccc3)n2)c(Br)c1 545013766 XBWBNFKFELBPNL-UHFFFAOYSA-N 432.274 4.481 5 20 IIBD COc1cc(Cc2noc(-c3[nH]c4ccccc4c3Br)n2)ccc1[N+](=O)[O-] 546487419 RQDNSRWQAARTMV-UHFFFAOYSA-N 429.230 4.488 5 20 IIBD Cc1ccc(-c2nc(CS(=O)(=O)c3cc(Cl)ccc3Cl)no2)cc1[N+](=O)[O-] 546950062 CARFOFBIHZQVBD-UHFFFAOYSA-N 428.253 4.234 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2cccc(Cl)c2[nH]1 551786431 QNPDWCKJKQJNKR-UHFFFAOYSA-N 434.861 4.032 5 20 IIBD CC(C)C(=O)Nc1ccc(CNc2ccc(I)cc2[N+](=O)[O-])cc1 558759815 SCLWOSLJNMWTML-UHFFFAOYSA-N 439.253 4.406 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1c(Cl)cccc1-n1ccnc1 565390072 DPHQYIZQWMETFI-UHFFFAOYSA-N 442.906 4.310 5 20 IIBD COc1cc(C(=O)N2[C@H]3CCCC[C@@H]3C[C@H]2C)c([N+](=O)[O-])cc1OCc1cscn1 569298053 PNRTWWILUHIHDL-CPUCHLNUSA-N 431.514 4.432 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 574246016 KHNHVSXCGQSMOQ-QGZVFWFLSA-N 442.415 4.186 5 20 IIBD O=C1CCC(=O)N1c1ccc(-c2nc(-c3ccc(Cl)cc3Cl)no2)cc1[N+](=O)[O-] 574725848 SCWQUWVDXAHTJM-UHFFFAOYSA-N 433.207 4.272 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CN[C@@H](CCO)c2ccc(Cl)cc2)c1 578700732 FAACYMMMWHYHLO-INIZCTEOSA-N 446.672 4.066 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1csc(-c2ccccc2)n1 586750190 GKFDMHNIPKMUAA-UHFFFAOYSA-N 440.300 4.282 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NC[C@H](CO)c1ccc(Cl)cc1 588846789 CCHDTEZBYUMHTP-SNVBAGLBSA-N 425.741 4.485 5 20 IIBD CCNc1ccc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)cc1[N+](=O)[O-] 602756343 HJQVFDVLNCFPAK-HNNXBMFYSA-N 426.498 4.462 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3cccc(NC(=O)C4CC4)c3)cc2)c(C)c1[N+](=O)[O-] 603478479 OGMKHCCOMXRFAS-UHFFFAOYSA-N 433.468 4.057 5 20 IIBD Cc1cc(CNc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])cc(C)c1O 603864458 GLQHUGZYHIIHEX-UHFFFAOYSA-N 433.530 4.094 5 20 IIBD C[C@H](NC(=O)c1ccc(Cl)c(I)c1)c1cccc([N+](=O)[O-])c1 603966646 FAKJRNIOKWOTAT-VIFPVBQESA-N 430.629 4.344 5 20 IIBD Cc1sc(NC(=O)c2csc(-c3cnn(C)c3)n2)nc1-c1cccc([N+](=O)[O-])c1 603998948 NTNSLTICPDZOTO-UHFFFAOYSA-N 426.483 4.136 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCc2[nH]c3ccc(Br)cc3c2C1 609197712 ZYIFKQMNLNGFNT-UHFFFAOYSA-N 443.301 4.144 5 20 IIBD CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 609726239 ASXCPOBLOVLIAP-AZUAARDMSA-N 442.468 4.232 5 20 IIBD CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 610049165 PVWYKYLPDRZOOM-UHFFFAOYSA-N 430.770 4.369 5 20 IIBD Cc1ccc(NCCCNC(=O)Nc2cccc(OC[C@H]3CCCO3)c2)c([N+](=O)[O-])c1 610093097 SUUGZMBPHBPWDG-LJQANCHMSA-N 428.489 4.085 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1 610118035 MJHGOTDSYSOMLB-UHFFFAOYSA-N 439.855 4.106 5 20 IIBD CC(C)[C@H](NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C(=O)N1CCCC1 610730606 XJIHOIQFPPBJJA-FQEVSTJZSA-N 426.473 4.156 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O 616122735 KTCWKYHWUGCEPH-OAHLLOKOSA-N 436.390 4.157 5 20 IIBD CN(C)Cc1cccc(NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c1 725858323 OTRBALNZUDZVHK-UHFFFAOYSA-N 433.306 4.009 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Br)Nc1ccc(Cl)cc1Cl 725984289 GOSUTUYNAVFPPI-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)c1 727803261 DRSNMEYYRYFWNR-UHFFFAOYSA-N 427.417 4.079 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)cc1[N+](=O)[O-] 730190384 UTEAGNUHXKPXDK-UHFFFAOYSA-N 427.442 4.241 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)O[C@@H](C)c1ccc(Cl)c(Cl)c1 730627562 FLSATXULFRQTNO-JTQLQIEISA-N 428.224 4.406 5 20 IIBD O=C(OCc1c(F)cccc1[N+](=O)[O-])c1cnn(-c2ncccc2Cl)c1C(F)F 730887127 WBJWLOJHOMTMBA-UHFFFAOYSA-N 426.738 4.263 5 20 IIBD O=C(OCC(=O)N(CCc1ccccc1)Cc1ccccc1)c1cc(F)cc([N+](=O)[O-])c1 731529673 BOWYSKRRTYKOHJ-UHFFFAOYSA-N 436.439 4.162 5 20 IIBD Cc1cc(Br)ccc1CNC(=O)c1cc([N+](=O)[O-])ccc1Br 731997357 JVMNBZVOCIQPSB-UHFFFAOYSA-N 428.080 4.358 5 20 IIBD O=C(c1ccc(Br)c([N+](=O)[O-])c1)N(Cc1ccccc1)CC1CCOCC1 732007668 GCAGBZYVOBGGQC-UHFFFAOYSA-N 433.302 4.426 5 20 IIBD C[C@@H](CSc1ccccc1)C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 732504791 DLJKRRGLGZSFPJ-IRXDYDNUSA-N 428.510 4.171 5 20 IIBD COC(=O)[C@@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1cccc(Cl)c1 733812949 DEBVFPFWKGGZDG-AWEZNQCLSA-N 428.622 4.082 5 20 IIBD C[C@@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1nc2cc(Br)cnc2[nH]1 735217991 NKUCJSPTVCFHIK-MRVPVSSYSA-N 431.202 4.293 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3ccc(N4CCOC[C@H]4C)cc3)cc2[N+](=O)[O-])CC1 737726396 QNHMWQVCOGNRIP-GOSISDBHSA-N 438.528 4.309 5 20 IIBD CCN(CC)C(=O)c1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2Br)cc1 739578073 GVAQHTFFHHQMQX-UHFFFAOYSA-N 435.274 4.196 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)Nc1ccccc1Cl 740410729 SUCOHWJAFCIGSX-VIFPVBQESA-N 427.638 4.195 5 20 IIBD COc1ccc(CNC(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1[N+](=O)[O-] 742567083 LBSSQWNOISTAQE-YWZLYKJASA-N 443.500 4.122 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 744367228 HPLFMGXRQKBKPJ-SWLSCSKDSA-N 445.438 4.427 5 20 IIBD CC(C)c1ccc(C(=O)[C@@H](C)OC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1 744589524 GDSAFWKMNCWLQB-OAHLLOKOSA-N 440.452 4.221 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)c1ncoc1-c1ccc2c(c1)OCCO2 745292378 PFAAAMUEXWJTRF-UHFFFAOYSA-N 440.408 4.165 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1NC(=O)CC(C)C 745295554 MJUNMWOKWKSPFB-UHFFFAOYSA-N 447.875 4.337 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)ccc1Cl 748698253 GZSLHHIDIFBFNQ-UHFFFAOYSA-N 448.353 4.256 5 20 IIBD O=C(COC(=O)c1cccc(Cl)c1[N+](=O)[O-])N[C@H](c1ccccc1)c1cccs1 750536700 UXQNBFBNLYZIHV-GOSISDBHSA-N 430.869 4.372 5 20 IIBD Cc1cnn(-c2ccc(C(=O)N3CCc4c(Br)ccc([N+](=O)[O-])c4C3)cc2)c1 750663493 OUOXBZKOPZLUEF-UHFFFAOYSA-N 441.285 4.050 5 20 IIBD O=C(Nc1nccs1)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1 751079395 BTAJXSKOPRCCSF-UHFFFAOYSA-N 447.270 4.318 5 20 IIBD CC(C)(C)OC(=O)N(CC1CC1)C1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 751138561 LUHSKBQHXHSLOP-UHFFFAOYSA-N 429.521 4.014 5 20 IIBD O=C(COC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(N2CCCC2)cc1 751637168 XWGWXCFZYUNHAW-UHFFFAOYSA-N 449.916 4.122 5 20 IIBD C[C@H](OC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccc(Br)cc1 755069154 UYUYSPKZKNGDDC-MNOVXSKESA-N 439.237 4.170 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NS(=O)(=O)c1ccc(C2CCCCC2)cc1 759185467 XXMMPLHQCDIGIA-UHFFFAOYSA-N 441.509 4.171 5 20 IIBD CN(CC(C)(C)C)C(=O)c1cccc(C(=O)O[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 759937919 JDZKCWCJUXUCKE-MOPGFXCFSA-N 442.516 4.250 5 20 IIBD CN(CC(C)(C)C)C(=O)c1cccc(C(=O)O[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 759937933 JDZKCWCJUXUCKE-RTBURBONSA-N 442.516 4.250 5 20 IIBD C[C@@H](Cc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1)C(=O)O 762166966 GAYRLZYLFUBZMM-VIFPVBQESA-N 425.210 4.012 5 20 IIBD Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)c(Cl)c1 762968748 NMWFBEPVBQMKQB-JTQLQIEISA-N 434.861 4.054 5 20 IIBD O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 765624516 ZACQCHPINNWQJN-UHFFFAOYSA-N 449.429 4.312 5 20 IIBD C[C@@H](C(=O)N(CCNC(=O)OC(C)(C)C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F 766618543 VGIHEDQDFJAWNM-MRXNPFEDSA-N 445.491 4.391 5 20 IIBD COc1cc(COC(=O)c2cc(NC(C)=O)ccc2Cl)c([N+](=O)[O-])cc1OC(F)F 768107248 CKVCQJBSEDKIRI-UHFFFAOYSA-N 444.774 4.174 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N2CCC(OCc3ccccc3F)CC2)cc1[N+](=O)[O-] 768568963 FVBAVXKQDUIJBV-UHFFFAOYSA-N 442.896 4.066 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2SC[C@H](O)c2ccccc2)cs1 768884775 XXEMQNFRPVGQON-INIZCTEOSA-N 436.536 4.283 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc1[N+](=O)[O-] 769364447 GBGARGAWJXCGJW-ZDUSSCGKSA-N 430.486 4.167 5 20 IIBD CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc(F)c([N+](=O)[O-])cc1F 769468904 FSZUYAMTBSUJPJ-UHFFFAOYSA-N 432.210 4.281 5 20 IIBD C[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(S(=O)(=O)NCc2ccco2)cc1 773038008 YQDCPBDWPCDSIK-CQSZACIVSA-N 449.916 4.171 5 20 IIBD Cc1cc(C[C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Br)n(-c2ccccc2)n1 773090989 MYPBZYWMEDFVEO-ZDUSSCGKSA-N 443.301 4.212 5 20 IIBD CCCCn1cc(CNc2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])c(C)n1 773229310 ADGPXNNDTRTNEU-UHFFFAOYSA-N 442.270 4.191 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1ccc2c(c1)CCN2C=O 777232396 RHNXJUNSQPDKTL-UHFFFAOYSA-N 442.493 4.046 5 20 IIBD COc1ccc(CN2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3F)c3ccccc3C2=O)cc1 777870831 XAXLAIGNAPSUJB-CIAFOILYSA-N 432.407 4.466 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Cl)C1CCN(C(=O)CCc2ccccc2)CC1 778089100 YZZMJRCWPWKGII-UHFFFAOYSA-N 430.888 4.163 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21 780282001 CBGVNJANIZHCDY-KSSFIOAISA-N 444.509 4.282 5 20 IIBD Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781620332 VOOOYGVUHGMXIF-JOCHJYFZSA-N 444.447 4.287 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCCN(c2ncccc2F)CC1 784210290 MBRGRXARSXHQLL-UHFFFAOYSA-N 436.443 4.274 5 20 IIBD Cc1ccn(C)c1C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 784296451 ORBZZZHZRMELHY-LJQANCHMSA-N 427.844 4.432 5 20 IIBD COc1ccc(CCCNC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cc1 790671280 GLMBWORFYVCAAJ-UHFFFAOYSA-N 448.317 4.066 5 20 IIBD CN(C)c1cc(F)c(C(=O)NCc2ccc(Oc3cccc(F)c3)nc2)cc1[N+](=O)[O-] 791219351 VRKMVWDEAOTUSB-UHFFFAOYSA-N 428.395 4.056 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1ccccc1Cl 792473307 DCSVEVCHCDFFPV-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD CCCc1[nH]nc(C(=O)O[C@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1[N+](=O)[O-] 796267261 MPZYDJAUWIRDMT-SSDOTTSWSA-N 449.678 4.415 5 20 IIBD O=C(OCc1nc2ccc(Br)cc2o1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 803092599 FVHSWSRJIPNKJG-UHFFFAOYSA-N 443.213 4.041 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(c2ncnc3sc([N+](=O)[O-])cc23)CC1 804388329 UIAPKJZLESVUBA-HNNXBMFYSA-N 433.534 4.215 5 20 IIBD Cc1c(Br)cc(C(=O)OCc2cccc(Br)n2)cc1[N+](=O)[O-] 805985835 LJANWJWPCGWVBD-UHFFFAOYSA-N 430.052 4.180 5 20 IIBD C[C@@H](OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)ccc1Cl 849194791 YFMQVMBGRKDCRE-LLVKDONJSA-N 449.250 4.271 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C(=O)Nc1ccccc1Cc1ccccc1 854158427 VUKJIMBCLYBVAM-QGZVFWFLSA-N 447.491 4.436 5 20 IIBD CS(=O)(=O)c1cccc(OC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)c1 916084074 LIDQKRWHIAYXSN-UHFFFAOYSA-N 429.475 4.369 5 20 IIBD COc1ccc(CNc2ccc3c(c2)NC(=O)CO3)cc1OCc1ccc([N+](=O)[O-])cc1 916840506 IYYOXWXHIJJADW-UHFFFAOYSA-N 435.436 4.125 5 20 IIBD O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccco1 917739141 JJIBCAYBXSEIPI-UHFFFAOYSA-N 439.808 4.033 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(OS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c1 917900280 VTAHVCUMGZALSU-UHFFFAOYSA-N 440.644 4.109 5 20 IIBD Cc1c(COC(=O)[C@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)cccc1[N+](=O)[O-] 919095669 GVPYZRAUMVJQNY-HNNXBMFYSA-N 448.422 4.100 5 20 IIBD Cc1ccc(CC(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cn1 919488631 OQEFFQYPQJQNEQ-OAQYLSRUSA-N 439.855 4.417 5 20 IIBD C[C@@H](OC(=O)CCC(=O)c1ccc(F)cc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 919535401 UAGAPXWGXSKZCY-SNVBAGLBSA-N 440.786 4.060 5 20 IIBD Cc1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(OCC(F)(F)F)c1 919912311 BMTVUOXRIZIGHN-UHFFFAOYSA-N 438.406 4.198 5 20 IIBD COc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 920314938 PQBCTBGPHVUJSR-UHFFFAOYSA-N 447.852 4.256 5 20 IIBD C[C@@H](CC(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)c1ccc(C(F)(F)F)cc1 1115923367 BYCVZCDEYGSXEE-INIZCTEOSA-N 435.446 4.452 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1ccc2nnc(C(F)F)n2c1 1116315349 VOTUDRGYWVEFNP-UHFFFAOYSA-N 437.362 4.058 5 20 IIBD CC(C)n1ncc2c1[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)CCC2 1321184479 KFPIJGUDWPRNFG-CYBMUJFWSA-N 425.258 4.081 5 20 IIBD Cc1cccn2cc(COc3ccc(C(=O)N4Cc5ccc([N+](=O)[O-])cc5C4)cc3)nc12 1322147531 LGBCBKIMCFREEZ-UHFFFAOYSA-N 428.448 4.286 5 20 IIBD Cc1ncsc1CSc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] 1325951192 FWZRUSDAABGQTJ-UHFFFAOYSA-N 427.573 4.217 5 20 IIBD Cc1ccc2nc(COc3ccc(C(=O)N4Cc5ccc([N+](=O)[O-])cc5C4)cc3)cn2c1 1330011663 CXTQTFGPIAYEKQ-UHFFFAOYSA-N 428.448 4.286 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(Cc2nnc(COc3ccccc3[N+](=O)[O-])o2)cc1 1341400209 ZJQZVMZFUGPCBP-UHFFFAOYSA-N 426.429 4.495 5 20 IIBD Cc1ncoc1C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)CCC1 1790622113 KQYKXBIHWMQPCB-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)Nc1ccc(C2(NC(=O)c3ccccn3)CCC2)cc1 1790806731 ZGQRSFPGAMHKMY-UHFFFAOYSA-N 446.463 4.065 5 20 IIBD Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2cccc([N+](=O)[O-])c2)oc2ccccc12 1792475347 TVRYJKIIJXURRU-REPLKXPHSA-N 447.491 4.144 5 20 IIBD Cc1cccc(F)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(F)ccc([N+](=O)[O-])c1C 1800698920 KBGXRZNEXRNXLX-MUJYYYPQSA-N 443.450 4.055 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccsc1 1801207536 QVJHSTMCNHGANY-MUJYYYPQSA-N 441.534 4.437 5 20 IIBD CC(C)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1826346099 WSOUHOWYCYJROS-RQWLHQTBSA-N 427.545 4.274 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1c(Cl)ccc(Cl)c1Cl 8629048 PGCFHDOZURPLFH-UHFFFAOYSA-N 433.631 4.359 5 20 IIBD O=C(NC1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1)c1ccccc1 10557947 QJJOEMXWIBQBJQ-UHFFFAOYSA-N 444.491 4.373 5 20 IIBD COc1ccc(C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3F)cs2)cc1[N+](=O)[O-] 10966453 NPZKGNBSWFFIIA-UHFFFAOYSA-N 430.417 4.077 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c([N+](=O)[O-])cc1OC 11526355 AYQJIZKMADMYBY-UHFFFAOYSA-N 425.397 4.100 5 20 IIBD C[C@@H](OC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 12270269 PWEFZAGSFWNJTC-GFCCVEGCSA-N 445.378 4.031 5 20 IIBD Cc1cccc(NS(=O)(=O)c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)c1C 15390346 ICVQKMSJQLBCMR-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1Cc1ccccc1)Nc1ccc2c(c1)OCCCO2 16458991 IMTYIWLEQGYZNS-UHFFFAOYSA-N 434.448 4.364 5 20 IIBD Cc1ccc(-c2nc(CC(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)cs2)cc1 17205441 JUEGGTLUUSIPTI-UHFFFAOYSA-N 425.466 4.060 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc3c(cc2Br)OCCO3)c1 18183418 QMWRLMRULJSVHN-UHFFFAOYSA-N 425.260 4.103 5 20 IIBD COc1ccc(CCNC(=O)[C@H](C)Sc2nc3ccc([N+](=O)[O-])cc3s2)cc1OC 23214224 VBWIVKRTKQTHPB-LBPRGKRZSA-N 447.538 4.061 5 20 IIBD CS(=O)(=O)c1ccc(NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 25572347 QOYWRUAWMXVGFW-RKDXNWHRSA-N 434.358 4.320 5 20 IIBD CCCn1c(SC[C@@H](O)COc2cccc([N+](=O)[O-])c2)nnc1-c1cccc(C)c1 61729035 PVLUGNCXXWKWTA-SFHVURJKSA-N 428.514 4.104 5 20 IIBD O=C(Nc1ccc(Cn2cnc3ccccc32)cc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 63991762 GVHLCXYWYBBSTQ-UHFFFAOYSA-N 438.447 4.431 5 20 IIBD O=C(CNc1cc([N+](=O)[O-])ccc1NCCO)Nc1cc(Cl)c(Cl)cc1Cl 98065838 QPAHKCDIXYRAEM-UHFFFAOYSA-N 433.679 4.010 5 20 IIBD CC(C)(C)OC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 107924808 UGIGTLPRZRYKSC-UHFFFAOYSA-N 427.457 4.080 5 20 IIBD COc1cc(C(=O)N(C)Cc2ccc(Br)cc2)c([N+](=O)[O-])cc1OC(F)F 115379494 MCPIIQRWPGNGAX-UHFFFAOYSA-N 445.216 4.240 5 20 IIBD Cc1ccc(CNC(=O)C2CCN(c3ccc([N+](=O)[O-])cc3Br)CC2)cc1 301482006 SQYKVTHURDQFHL-UHFFFAOYSA-N 432.318 4.199 5 20 IIBD CCOc1cc(C(=O)NCCc2nc(C3CCCCC3)cs2)c([N+](=O)[O-])cc1OC 303423345 DFVKLYFYWOBWSF-UHFFFAOYSA-N 433.530 4.479 5 20 IIBD CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@@H](c1ccc(Cl)cc1)c1cnccn1 427439736 UACKPPSUFRYQJS-QFIPXVFZSA-N 435.871 4.241 5 20 IIBD C[C@@H](CCCC(F)(F)F)NC(=O)c1ccc([N+](=O)[O-])cc1I 427758673 JWBDXMJALCHEFH-QMMMGPOBSA-N 430.164 4.050 5 20 IIBD C[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](c2cccc(C(F)(F)F)c2)O1 428925723 HJOMBDNITCILMR-KUHUBIRLSA-N 437.418 4.404 5 20 IIBD CCOc1cc(NC(=O)N(C)[C@H](c2ccccc2)c2ncc[nH]2)c([N+](=O)[O-])cc1OCC 432643787 PTVGYMCBYGNGEV-HXUWFJFHSA-N 439.472 4.369 5 20 IIBD CN(Cc1nccn1CC(F)(F)F)c1c([N+](=O)[O-])cnc2ccc(Br)cc12 433793207 RKSKAPRGKIJSIN-UHFFFAOYSA-N 444.211 4.301 5 20 IIBD O=C(NCc1nccn1CCCc1ccccc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 434366911 MJASGCIENNAQBC-UHFFFAOYSA-N 432.402 4.373 5 20 IIBD COc1cccc(C(=O)NCc2cc(Br)ccc2Br)c1[N+](=O)[O-] 436012597 JYXDBZFKMAWAFR-UHFFFAOYSA-N 444.079 4.058 5 20 IIBD O=[N+]([O-])c1ccc2c(c1NCc1ccc(S(=O)(=O)Nc3ccc(F)cc3)cc1)CCN2 436391610 QWAUFGWBWRKBKN-UHFFFAOYSA-N 442.472 4.115 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC(n2cc(Br)cn2)CC1 437147506 UEEIKKSEQCIYQQ-UHFFFAOYSA-N 447.211 4.050 5 20 IIBD Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 438920015 QWSLCUYRVRUAQL-ZDUSSCGKSA-N 431.876 4.102 5 20 IIBD COc1cc(C(=O)Nc2cc(C)nc(-c3ccccc3)n2)c([N+](=O)[O-])cc1OC(F)F 439304125 YDMIAIARYHIDJL-UHFFFAOYSA-N 430.367 4.223 5 20 IIBD O=C(NCc1cccc(-n2cncn2)c1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 440631487 YTYRRNUURXGVFM-UHFFFAOYSA-N 431.477 4.257 5 20 IIBD COc1cccc(COc2cccc(NC(=O)C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c2C)c1 441916390 DQIBRTCEMAGCSP-UHFFFAOYSA-N 449.463 4.376 5 20 IIBD CN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 441955254 QVYDLUPGNULZTG-QGZVFWFLSA-N 436.917 4.146 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1ccccc1)[C@@H]1CCCC1(C)C 441995442 YGTZENJMFQDTGQ-HXUWFJFHSA-N 425.485 4.149 5 20 IIBD C[C@H]1CN(C2CCN(C(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])CC2)CCO1 442728045 DDNYMLHAKTXHPA-KRWDZBQOSA-N 441.553 4.071 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CC=C(c2ccc3c(c2)OCCO3)CC1 444282376 BUAGSTQINAUZBS-UHFFFAOYSA-N 438.483 4.382 5 20 IIBD CN(CC1CCN(c2ccncc2)CC1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 444299642 WASWBFORJUGWMX-UHFFFAOYSA-N 426.520 4.065 5 20 IIBD CCOc1cc(/C=C/c2nc(Cc3cc(OC)cc(OC)c3[N+](=O)[O-])no2)ccc1OC 445820947 WKCKYRNSTDHQPM-VQHVLOKHSA-N 441.440 4.164 5 20 IIBD O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1sc(Br)cc1[N+](=O)[O-] 446049597 CQAUOUKVRHAXIC-UHFFFAOYSA-N 445.707 4.265 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)Nc1cc(C)n(CCCOc2ccc(F)cc2)n1 446483587 DCPWSIRTMAIYJG-UHFFFAOYSA-N 427.436 4.660 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](NCC1CCN(C2CC2)CC1)c1ccccc1 447032680 ZWLRAUALCACNKT-QFIPXVFZSA-N 442.947 4.392 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCC(c2ncc3n2CCCC3)CC1 447680129 GDHXJGXDMRMWNY-UHFFFAOYSA-N 444.510 4.373 5 20 IIBD Cc1ccccc1[C@H]1CN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])[C@H](C)CO1 460405103 NZWLNYDEFSPODI-AUUYWEPGSA-N 438.402 4.447 5 20 IIBD Cc1cccc(Oc2cc(CNC(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)ccn2)c1C 465157233 RWVDDZLKILWHLW-UHFFFAOYSA-N 449.463 4.029 5 20 IIBD COC(=O)c1cc(C(=O)Nc2cc(F)c(Br)cc2Cl)cc([N+](=O)[O-])c1 466470004 YHCZJUHDEZHSPF-UHFFFAOYSA-N 431.601 4.189 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 467373278 KSERQMRHPUAOOC-UHFFFAOYSA-N 448.270 4.076 5 20 IIBD O=[N+]([O-])c1cc2c(c(C[S@](=O)Cc3ccc(Br)c(Cl)c3)c1)OCOC2 468840132 FJEGTEDBMXTSDF-RUZDIDTESA-N 446.706 4.326 5 20 IIBD CCSc1ccc(Cl)cc1NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 469196759 XLUDVWZSSOPTJT-UHFFFAOYSA-N 433.873 4.266 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CCNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 473766770 DVVFHZYCFILGIG-UHFFFAOYSA-N 435.278 4.124 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1cc(F)c(Cl)cc1F)c1ccccc1[N+](=O)[O-] 481104400 MYTRTAMCHXJYIE-INIZCTEOSA-N 426.803 4.339 5 20 IIBD CN(C[C@@H]1CCCC[C@H]1O)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 481358199 HPHFAFURBJSKOL-DQLDELGASA-N 431.920 4.411 5 20 IIBD CCn1c(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)nnc1-c1ccc(F)cc1 481361969 ZTXQHSFKMIOKQN-UHFFFAOYSA-N 426.433 4.355 5 20 IIBD COCC[C@@H](Cc1cccc(Br)c1)C(=O)NCc1cccc([N+](=O)[O-])c1C 481485437 ZDBREZYXKXPYQF-INIZCTEOSA-N 435.318 4.177 5 20 IIBD C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C[C@H](C)S1=O 481739087 QSKBKCAGNZQFRD-STQMWFEESA-N 438.958 4.381 5 20 IIBD Cn1nc([N+](=O)[O-])cc1C(=O)Nc1cccc(NC(=O)Nc2cccc3c2CCCC3)c1 481861437 JETCANOUULMPCQ-UHFFFAOYSA-N 434.456 4.103 5 20 IIBD O=C(NCc1nc(CN[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cs1)c1ccccc1 484282477 XMBTWXRXWJVXTD-HXUWFJFHSA-N 436.537 4.092 5 20 IIBD CCCCS(=O)(=O)Nc1ccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 484283945 VSVULAVDQONNHI-UHFFFAOYSA-N 446.529 4.333 5 20 IIBD Cn1cc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 484713218 IKTORTBKZRSWGT-UHFFFAOYSA-N 440.872 4.420 5 20 IIBD O=C(O)CN(Cc1ccc(Cl)cc1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 485730637 SLLWQZBGUYZEKU-UHFFFAOYSA-N 431.857 4.099 5 20 IIBD C[C@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1nc(-c2cccc(F)c2)no1 485925659 OHGOYTVVZKQXHY-ZETCQYMHSA-N 441.238 4.099 5 20 IIBD O=C(CCCNC(=O)c1ccc(Cl)cc1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 486709702 MGQUFXWKDNHUDB-UHFFFAOYSA-N 443.809 4.093 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc(-c2cc(F)cc(F)c2)nn1C 487473968 MPBHDQUZJYDPFN-SNVBAGLBSA-N 436.802 4.333 5 20 IIBD C[C@H](NC(=O)[C@@H](C)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc(Cl)cc1Cl 488968575 AIUJAOWFXVZQKQ-QWHCGFSZSA-N 440.331 4.001 5 20 IIBD CCC1(CO)CCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 491288157 CHLPTXMRVQOPGX-FQEVSTJZSA-N 431.920 4.413 5 20 IIBD CN(C)[C@@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1cccc(F)c1 492964010 VBDMDAJSWAWXMK-QHCPKHFHSA-N 437.471 4.346 5 20 IIBD COCCN(Cc1cc(Br)cs1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 494137852 UVEBDTGZYQWSDQ-UHFFFAOYSA-N 444.307 4.108 5 20 IIBD O=C(CN[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)Nc1ccc([N+](=O)[O-])cc1Cl 494498650 WSEUSYIHUFKKMS-WMZOPIPTSA-N 428.247 4.099 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 497063385 KRUJTLWWTSCTTF-KSSFIOAISA-N 436.867 4.362 5 20 IIBD O=C(CN[C@@H](c1ccccc1)C(F)(F)F)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 498131233 FZMRRHUYWHLEDG-ZWKOTPCHSA-N 425.432 4.062 5 20 IIBD COc1cc(CNc2ccc(Cl)c(C(=O)N(C)C)c2)c([N+](=O)[O-])cc1OCC(F)F 502657042 XSBYHVLFRONISQ-UHFFFAOYSA-N 443.834 4.215 5 20 IIBD Cc1cc(NC(=O)c2cc(C)n(-c3ccc(F)cc3F)n2)n(-c2ccc([N+](=O)[O-])cc2)n1 502995235 BHMLBALLMXXCIT-UHFFFAOYSA-N 438.394 4.114 5 20 IIBD Cc1cc(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nn1CCCOc1ccc(F)cc1 504401518 OWSCSFHSKHJNCA-MRXNPFEDSA-N 441.463 4.147 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)c2ccc(C)s2)CC1 505792436 GSYZXLDMXQIHAG-UHFFFAOYSA-N 433.555 4.065 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)c1ccc(Br)cc1F 507248905 YQBQFOVJGBMXMI-MNOVXSKESA-N 440.269 4.183 5 20 IIBD O=C(Nc1ccc(Cl)cc1C(=O)N1CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 507987089 BFNULFXUDGEBNB-UHFFFAOYSA-N 442.903 4.337 5 20 IIBD COc1cc(C(=O)N(C[C@H]2CCCO2)c2ccc(Br)cc2)ccc1[N+](=O)[O-] 508767230 ZNWVOQOGLQEBSK-MRXNPFEDSA-N 435.274 4.192 5 20 IIBD Cc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)C2CC2)cc1 508814518 XJGQPSGVEMUQKN-KRWDZBQOSA-N 436.249 4.389 5 20 IIBD C[C@@H](NC(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 510142646 AFXQCWQINCVJQY-MRXNPFEDSA-N 434.452 4.495 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](C)CC[C@H]1c1ccccc1OC 510185066 LYFZKZXICJMKCC-UZLBHIALSA-N 427.501 4.414 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)C1=CCN(C)CC1 512131204 DOIDBCDEUABLPN-HNNXBMFYSA-N 428.920 4.241 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCCc2nc(-c3cccc(Cl)c3)no2)cc1SC 513222181 GOAYODVFYRMMAN-UHFFFAOYSA-N 448.888 4.001 5 20 IIBD Cn1ccnc1[C@H](NCCc1ccc(F)c(Br)c1)c1ccc([N+](=O)[O-])cc1 513653439 DYIJRENYPZQDMN-GOSISDBHSA-N 433.281 4.152 5 20 IIBD CC(C)(C)c1noc(CN2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)n1 515251256 IQJZSYJSKZENAI-UHFFFAOYSA-N 441.557 4.322 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H](C)c3nnc(C)s3)c([N+](=O)[O-])c2)c(C)c1 515479504 QVJCNKNGMYKPEX-ZDUSSCGKSA-N 447.542 4.345 5 20 IIBD CCNc1ccc(C(=O)Nc2nccn2Cc2ccc(Br)cc2)cc1[N+](=O)[O-] 516811830 USWPZRKXDCYWOT-UHFFFAOYSA-N 444.289 4.286 5 20 IIBD CC[C@@H](C)CN(C)C(=O)c1ccccc1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C 517675311 LWSWXQQITAQVLB-CQSZACIVSA-N 433.530 4.131 5 20 IIBD CN(Cc1ncc[nH]1)C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 517683510 MBWSAKDEQWKHCG-UHFFFAOYSA-N 425.495 4.351 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCCc2cc(OC(F)(F)F)ccc21 517912597 ZBDALNVDKQQXGB-UHFFFAOYSA-N 436.795 4.288 5 20 IIBD C[C@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccc2c(c1)CC(=O)N2 518271017 CAZJKTVRBNGPSE-HNNXBMFYSA-N 430.464 4.193 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cnn(-c2ncccc2Cl)c1C(F)F 519199800 DWIBUNHXTBUHKJ-UHFFFAOYSA-N 435.818 4.081 5 20 IIBD O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 520227079 DCGQLUFUXOVMFR-UHFFFAOYSA-N 427.848 4.403 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)Cc1ccccc1Br 521282404 RKAULJRQQYWPJJ-LLVKDONJSA-N 427.682 4.437 5 20 IIBD COc1cc(C(=O)N2CC3(CCCC3)c3cc4c(cc3[C@@H]2C)OCCO4)ccc1[N+](=O)[O-] 522249671 LPFGIIMMQQEBOZ-HNNXBMFYSA-N 438.480 4.403 5 20 IIBD CCCC[C@H](COC)NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 522889547 BUOMBWRZQVYESS-MRXNPFEDSA-N 431.455 4.151 5 20 IIBD COc1ccc(Oc2ccc(NS(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])cn2)cc1 525017562 ZULFFGIMUBSAQB-UHFFFAOYSA-N 435.845 4.245 5 20 IIBD COc1cc(C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 525537491 RIXHYCPQCXHNSP-YOEHRIQHSA-N 447.919 4.461 5 20 IIBD O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1 530445566 YOCMSLZSNNRSQR-WIYYLYMNSA-N 440.475 4.091 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCC[C@H](c2nnc3ccccn23)C1 531253680 SMOBBBMMXQHACT-KRWDZBQOSA-N 443.463 4.450 5 20 IIBD C[C@H](c1ccc(F)cc1F)N1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 533424701 RMRXJQUHCROLOM-MRXNPFEDSA-N 442.466 4.449 5 20 IIBD CCC[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 534782111 SHQMZWVUBKNNEB-OAHLLOKOSA-N 431.876 4.142 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@@H](CCCO)c3ccccc3)cc2[N+](=O)[O-])C1 534922512 VFPYPFDGRKPQSC-OPYAIIAOSA-N 425.529 4.321 5 20 IIBD CCOc1ccc(F)c(NC(=O)c2ccc([N+](=O)[O-])cc2I)c1F 535486250 KPUOPAJVOGXWES-UHFFFAOYSA-N 448.163 4.129 5 20 IIBD Cc1cc(N(C)CCC2CCN(C3CCN(C)CC3)CC2)c2cccc([N+](=O)[O-])c2n1 537348005 RBQCICPLKXVFJD-UHFFFAOYSA-N 425.577 4.084 5 20 IIBD CCOc1cc(CNc2ccc(F)c(F)c2)ccc1OCCn1c([N+](=O)[O-])cnc1C 538421777 XIRGYSCMWRUSJP-UHFFFAOYSA-N 432.427 4.468 5 20 IIBD COc1cc(CNc2ccc(CNC(C)=O)cc2)c([N+](=O)[O-])cc1OCc1ccccc1 538821964 NFNWETKTRVBORE-UHFFFAOYSA-N 435.480 4.431 5 20 IIBD C[C@@H](NCc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 540378872 LTCCURCGUROVPB-SNVBAGLBSA-N 426.786 4.094 5 20 IIBD CCOc1cc(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)c([N+](=O)[O-])cc1OC 540860740 JHJDACSNAUMXFG-UHFFFAOYSA-N 433.424 4.193 5 20 IIBD COc1cc(Cc2noc(C3CCC(NC(=O)CC4CCCC4)CC3)n2)ccc1[N+](=O)[O-] 545786308 NTHINCUKWHLIFI-UHFFFAOYSA-N 442.516 4.300 5 20 IIBD Cc1ccc(-c2nc(Cc3cc(Br)c4c(c3)OCCO4)no2)cc1[N+](=O)[O-] 546367519 TUBONZUTPYBASX-UHFFFAOYSA-N 432.230 4.078 5 20 IIBD COc1ccc(C(=O)Nc2ccc(-c3nc(-c4ccc(N)c([N+](=O)[O-])c4)no3)s2)cc1 546965058 ZNEKSFQNHSOKHM-UHFFFAOYSA-N 437.437 4.216 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccccc2N2CCN(C)CC2)no1 547134536 XFWSDTVNXQYWFW-AWEZNQCLSA-N 443.891 4.190 5 20 IIBD COc1ccc(CC(=O)NCc2nc3c(s2)C[C@H](c2ccccc2)CC3)cc1[N+](=O)[O-] 547339227 HXKZSVOSIHWAPO-QGZVFWFLSA-N 437.521 4.191 5 20 IIBD COc1cc(CN2CCO[C@H](c3ccc(F)cc3F)C2)c([N+](=O)[O-])cc1OC(F)F 547972664 YXXCYRXXQJBWCU-SFHVURJKSA-N 430.354 4.057 5 20 IIBD O=C(CN(Cc1ccccc1F)Cc1cc(O)ccc1[N+](=O)[O-])Nc1ccccc1F 549899377 PXKZBPXHPJZBNC-UHFFFAOYSA-N 427.407 4.220 5 20 IIBD O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 550572174 MPXGUJIJSAXFSU-UHFFFAOYSA-N 428.779 4.460 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCc2c(cnn2-c2ccccc2)C1 550599829 OXGROWRAAGIABG-UHFFFAOYSA-N 441.285 4.050 5 20 IIBD O=[N+]([O-])c1cc2c(N3CCC[C@@H](Nc4cccc(Br)c4)C3)ncnc2s1 553230335 XQQNONQUVVDNOF-CYBMUJFWSA-N 434.319 4.443 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCOc2ccc(Br)cc2C1 558946786 CPQHTFXERAELKD-UHFFFAOYSA-N 449.304 4.479 5 20 IIBD O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1 560217616 KEATZNGQUSYHQG-GDBMZVCRSA-N 446.301 4.138 5 20 IIBD CN(C)C(=O)C[C@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 560228516 HYKNMJZAMOIXMC-NRFANRHFSA-N 432.480 4.288 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)c([N+](=O)[O-])c1 561002955 GBSISAAHSFOQAV-MRXNPFEDSA-N 449.287 4.111 5 20 IIBD O=C(Nc1cccc2nccn12)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 565514365 YJGHAJSXPDHTOL-UHFFFAOYSA-N 433.390 4.116 5 20 IIBD C[C@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1F 567434999 SRKJNPXVHGYHMD-NSHDSACASA-N 447.264 4.388 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N3CCC(F)(F)[C@@H](C)C3)c([N+](=O)[O-])c2)c(C)c1 568940161 ZJCSOHYMYLWXPI-HNNXBMFYSA-N 439.484 4.494 5 20 IIBD Cc1nc2cccc(-c3noc([C@H]4CCCN4C(=O)c4ccc([N+](=O)[O-])c(C)c4)n3)c2[nH]1 570246318 HAJNBFFZSYAGRR-GOSISDBHSA-N 432.440 4.115 5 20 IIBD CCOc1ccc(C(=O)NC2(Cc3ccc(F)cc3Cl)CCOCC2)cc1[N+](=O)[O-] 580971503 CEGOFDFFLKKWAL-UHFFFAOYSA-N 436.867 4.308 5 20 IIBD Cc1nc(-c2ccc(C)c(NC(=O)c3cc([N+](=O)[O-])cc(Br)c3C)c2)n[nH]1 584126912 COXJCMXCMUPZJD-UHFFFAOYSA-N 430.262 4.320 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@H]2CC[C@](O)(C(F)(F)F)C2)cc1 589938170 HVUAGCAMHCIKCI-LAUBAEHRSA-N 446.429 4.383 5 20 IIBD Cc1cc(C)c(-c2csc(NC(=O)[C@@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)n2)c(C)c1 603450285 HNFZSJZJSZCMFG-OAHLLOKOSA-N 438.509 4.401 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1 603750362 IWDFLFVUKBUVQT-UHFFFAOYSA-N 440.477 4.138 5 20 IIBD O=C(NCc1ccccn1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Cl 603773538 MHHRROZZMINFBA-UHFFFAOYSA-N 445.262 4.479 5 20 IIBD CN(Cc1ccccc1)C(=O)CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 603990627 FYWJJETVSSURIG-UHFFFAOYSA-N 435.505 4.134 5 20 IIBD O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 608875772 TZGACPZQZVVMGY-UHFFFAOYSA-N 444.329 4.102 5 20 IIBD COc1ccc(COCCCNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 608945451 NZSJNXKTFHFZOR-UHFFFAOYSA-N 427.482 4.064 5 20 IIBD Cc1nc(-c2cnn(C)c2)sc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 609642782 NXTNZXSEKAUZQE-UHFFFAOYSA-N 440.510 4.444 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cccc(C[S@](=O)Cc3ccccc3)c2)cc1[N+](=O)[O-] 609705928 WAAPXXYNXSYLSX-GDLZYMKVSA-N 444.534 4.153 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 609785284 WXMGTYBTGHCGIO-UHFFFAOYSA-N 426.738 4.498 5 20 IIBD CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1 609852478 AFIXULTYDICHLZ-UHFFFAOYSA-N 445.884 4.326 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCC[C@H]1c1cccnc1 609853644 FDMVCJGLHGSOTR-KRWDZBQOSA-N 432.267 4.460 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(OCc2ccccc2F)CC1 611260118 TYEXRHFWRORHKB-CQSZACIVSA-N 435.883 4.396 5 20 IIBD Cc1c(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)cccc1-c1nnc2n1CCCCC2 611287957 CBDSQHWVQCZDBG-UHFFFAOYSA-N 435.484 4.271 5 20 IIBD CCCC(=O)Nc1ccc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1 725984365 AYMVJVQHWRFCNN-UHFFFAOYSA-N 449.257 4.136 5 20 IIBD CC(C)(C(=O)OCc1cn(-c2ccccc2)nc1-c1ccccc1)n1cc([N+](=O)[O-])cn1 726499697 HHEUIWLFIITDNR-UHFFFAOYSA-N 431.452 4.123 5 20 IIBD CC(C)(C)OC(=O)N1CCc2cc(NC(=O)NCCNc3ccc([N+](=O)[O-])cc3)ccc21 726702845 UJOGVQHMONTSQU-UHFFFAOYSA-N 441.488 4.126 5 20 IIBD O=C(Nc1nc(-c2ccccc2OC(F)F)cs1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 727715671 QNCWZXLBQKAIDR-UHFFFAOYSA-N 436.352 4.480 5 20 IIBD Cc1ccc(-c2nc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)sc2C)s1 728838012 SOIKHZWONIXWQP-UHFFFAOYSA-N 444.538 4.486 5 20 IIBD CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc34)ccc21 729411871 WKMRNDSSRWHMCR-UHFFFAOYSA-N 437.456 4.411 5 20 IIBD CC(C)CCS(=O)(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 729481361 CBNZPXRERJWVFH-UHFFFAOYSA-N 426.878 4.255 5 20 IIBD CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc([N+](=O)[O-])ccc1Cl 733105604 JYOKSSLFMGPCGA-UHFFFAOYSA-N 429.826 4.471 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NCc2ccnc(OC3CCC(C)CC3)c2)c1[N+](=O)[O-] 733792421 NWQKVWWFOFCNTN-UHFFFAOYSA-N 430.461 4.268 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F 734771044 OCXMOKUSNAFERR-JKSUJKDBSA-N 442.422 4.464 5 20 IIBD O=C(N[C@H](Cc1ccccc1)C(=O)OCc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 734975307 XQQSSLLNVGJVER-OAQYLSRUSA-N 438.867 4.333 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cccc(Oc3nccs3)c2)c([N+](=O)[O-])c1 736924682 KXAZMFUYCHTTSW-GFCCVEGCSA-N 443.437 4.036 5 20 IIBD O=C(CC1(O)CCCC1)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 740984683 DZGAFBXTDJQLIR-IBGZPJMESA-N 432.860 4.166 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@H](O)c3c(F)cccc3Cl)cc2[N+](=O)[O-])C1 741295426 GGDBOFXPZSXBGN-JZKQVHKSSA-N 449.910 4.333 5 20 IIBD O=C(COC(=O)[C@H]1CCSc2ccccc21)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 745427160 LEXLKDXKOKARBJ-ZDUSSCGKSA-N 440.399 4.375 5 20 IIBD O=C(OCC(=O)N1CCC1)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 746895099 HSVUYEPYGYSJCS-UHFFFAOYSA-N 440.399 4.154 5 20 IIBD C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 746999580 LPOLIFOESYKYSY-SNVBAGLBSA-N 429.782 4.425 5 20 IIBD C[C@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)Nc1ccc(F)c(F)c1 747958625 PZGUFZGBBRIHFX-JTQLQIEISA-N 433.392 4.181 5 20 IIBD O=[N+]([O-])c1ccc(Oc2ccc(CNC(=S)NC[C@@H]3CCOC3)cc2F)c(Cl)c1 749721207 OODDJEMYQUYRPK-ZDUSSCGKSA-N 439.896 4.180 5 20 IIBD O=[N+]([O-])c1cccc([C@@H](O)CS(=O)(=O)Cc2ccc(Oc3ccccc3F)c(F)c2)c1 749724927 ZBMYMHBKYBEBGU-IBGZPJMESA-N 449.431 4.314 5 20 IIBD COc1cc(C(=O)O[C@H](C)Cc2ccccc2)c([N+](=O)[O-])cc1OCc1cscn1 750412861 QJNHGFCYHNDHLJ-CQSZACIVSA-N 428.466 4.427 5 20 IIBD O=C(NCc1ccn(-c2ccccc2)n1)c1cc(Br)cc([N+](=O)[O-])c1Cl 750841573 KAQDQEWRJLFRBU-UHFFFAOYSA-N 435.665 4.126 5 20 IIBD C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc(I)c([N+](=O)[O-])c1 751353941 BRGZATZRUIEBMU-SWLSCSKDSA-N 436.249 4.218 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1 752200014 FVZPMUBWFROOOX-UHFFFAOYSA-N 449.341 4.373 5 20 IIBD CC[C@@H](C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1cccc(C(F)(F)F)c1 752579663 KNZVCVZYBIFRIP-OAHLLOKOSA-N 440.374 4.298 5 20 IIBD C[C@H](c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2Br)cc1)N1CCOCC1 753821148 VAPCFEYRIDOYAA-CYBMUJFWSA-N 434.290 4.003 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)OCc2nc(COc3cc(C)cc(C)c3)no2)c1 754247479 AVDQHUAAZWYXSY-UHFFFAOYSA-N 429.454 4.253 5 20 IIBD COC(=O)Nc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)ccc1F 754969207 UMBYCEJWVRBZCD-UHFFFAOYSA-N 430.161 4.066 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CCCC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C 755024589 MSJLADULJWIYTP-UHFFFAOYSA-N 428.445 4.484 5 20 IIBD O=C(NCc1ccccc1CN1CCCC1)Nc1ccc(Br)c([N+](=O)[O-])c1 755031145 TWPNPXRQAPDQER-UHFFFAOYSA-N 433.306 4.275 5 20 IIBD Cc1cccc(-c2nnc(COC(=O)Cc3ccc([N+](=O)[O-])cc3Br)o2)c1 755286807 NRAWNXDPAAFDTH-UHFFFAOYSA-N 432.230 4.002 5 20 IIBD CCOc1cc(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c([N+](=O)[O-])cc1OCC 757193705 REBFBJMMFLBKBG-UHFFFAOYSA-N 438.824 4.276 5 20 IIBD CC(C)C[C@@H](C)Oc1cc(CNC(=O)c2cccc([N+](=O)[O-])c2Br)ccn1 758400561 XODITTHAESZULN-CYBMUJFWSA-N 436.306 4.496 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1COc2ccc(Br)cc21 760542249 KQCUANNMBXGZAA-INIZCTEOSA-N 445.225 4.232 5 20 IIBD C[C@@H]1CC(=O)CC[C@H]1C(=O)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 760566489 GOAMBZHNTUUWKJ-DUXSXAKTSA-N 444.871 4.477 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@@H](O)c1cccc(OCc2ccccc2)c1 761609946 XHNHULWUOHKMCQ-JOCHJYFZSA-N 438.505 4.116 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1cnc(N2CCCCC2)s1 763807276 WBHUQJFIRCFAAT-UHFFFAOYSA-N 435.527 4.193 5 20 IIBD O=C(OC[C@@H]1CC(=O)N(C2CC2)C1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 765613017 QBCOJWWOFSDQDJ-CQSZACIVSA-N 443.887 4.028 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc(C(F)(F)F)nc2Cl)cccc1[N+](=O)[O-] 766126956 RBXJWYQQGUMIFQ-VIFPVBQESA-N 431.754 4.154 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@@H](C)Cc1ccc(Br)cc1 766239299 YAVYDPYLZMBQKQ-ZDUSSCGKSA-N 435.274 4.026 5 20 IIBD COCCn1c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)nc2ccccc21 766646700 CWOYBCADAJLSAX-UHFFFAOYSA-N 437.500 4.080 5 20 IIBD C[C@H]1CC(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 768053427 CFDMVJNGEQQJMC-STQMWFEESA-N 431.876 4.186 5 20 IIBD O=C(NC1CC1)c1ccc(CN(Cc2ccc(Br)c([N+](=O)[O-])c2)C2CC2)cc1 768424806 SHRIQFRHZVAULK-UHFFFAOYSA-N 444.329 4.414 5 20 IIBD CN(C)[C@@H](CNC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cccc(C(F)(F)F)c1 769413574 JNXHPZOKNWRGST-NRFANRHFSA-N 436.478 4.475 5 20 IIBD Cc1ccccc1-c1noc([C@H](C)OC(=O)c2cc(Br)ncc2[N+](=O)[O-])n1 769835954 YBTXCQQRVWRSGG-JTQLQIEISA-N 433.218 4.029 5 20 IIBD COCCc1nc(C)c([C@H](C)OC(=O)c2cc(Br)cc([N+](=O)[O-])c2)s1 773914525 LJTIDHLVVGZNDG-JTQLQIEISA-N 429.292 4.229 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2cnc(Cl)c(N)c2)c2ccccc2)c([N+](=O)[O-])c1 774998577 YDIVLNYSYKCVPP-SFHVURJKSA-N 440.843 4.071 5 20 IIBD CC1CCN(c2ccc(C(=O)OCc3cc(COC(C)(C)C)on3)cc2[N+](=O)[O-])CC1 775192343 NECQTRKNWZIKFL-UHFFFAOYSA-N 431.489 4.491 5 20 IIBD CC(=O)N(c1nc(COC(=O)c2c(N)cccc2[N+](=O)[O-])cs1)c1cccc(C)c1C 778146350 XHJVTKBJGHTQPG-UHFFFAOYSA-N 440.481 4.292 5 20 IIBD C[C@@H](OC(=O)c1csc(-c2ccc(F)c(F)c2)n1)C(=O)Nc1ccccc1[N+](=O)[O-] 780134115 DGSQATYRDWMFOY-SNVBAGLBSA-N 433.392 4.181 5 20 IIBD COc1ccc(C(=O)c2ccccc2C(=O)O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 781289488 JUFUBUQBULCSCI-OAHLLOKOSA-N 448.431 4.018 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cc1 781645100 DSRSDVURRIGXNL-SFHVURJKSA-N 426.429 4.074 5 20 IIBD CO[C@]1(C(F)(F)F)CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 781794787 MYIJOLXSEFYSEF-CYBMUJFWSA-N 445.619 4.194 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N(Cc1ccccc1)C[C@H](O)c1cccs1 782076018 XWMACRQVHYOGRQ-SFHVURJKSA-N 427.482 4.433 5 20 IIBD O=C(Nc1cccc(Cl)c1N1CCOCC1)c1cccc([N+](=O)[O-])c1Br 782121564 OJVMWLHDAXKDKV-UHFFFAOYSA-N 440.681 4.100 5 20 IIBD COC(=O)NCc1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1 783626512 ZYOCRJGWYNRXTC-UHFFFAOYSA-N 435.436 4.282 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cnc3ccc(Cl)cc3c2)c(Br)c1 790422690 XWXDMBOZPHKGBD-UHFFFAOYSA-N 443.662 4.327 5 20 IIBD O=C(c1ccc(OC(F)F)cc1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791173106 ABERRDMKQZVQGX-UHFFFAOYSA-N 427.201 4.157 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccc(Br)c(F)c1 797575721 HDBULRVQCIHPDG-MRXNPFEDSA-N 438.209 4.382 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCCC3(CCN(C)CC3)C2)c([N+](=O)[O-])c1 799178607 XLCACWTUSGPTQX-HSZRJFAPSA-N 436.556 4.391 5 20 IIBD COc1ccc(NC(C)=O)cc1N(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)C(C)C 799460414 FYDCOZAGULFARS-UHFFFAOYSA-N 444.444 4.142 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C 801052108 XJNROWDQCCPTFM-IEBWSBKVSA-N 433.549 4.315 5 20 IIBD O=C(OCc1cc(F)c(C(F)(F)F)cc1F)c1cc(Br)ncc1[N+](=O)[O-] 805523392 JJHGWJRMWSCNCY-UHFFFAOYSA-N 441.106 4.406 5 20 IIBD C[C@H](c1ccc(F)cc1)N(C)C(=O)COC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811373061 OIKPQDREGDCILL-SNVBAGLBSA-N 429.231 4.417 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H](O)c1ccc(Br)cc1 815209827 FVDZFRGCECUPEL-AWEZNQCLSA-N 434.164 4.153 5 20 IIBD CCCC[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C(=O)Nc1cc(C)on1 815511530 NCZMFSJQCMOERY-CQSZACIVSA-N 429.351 4.264 5 20 IIBD Cc1ccc([C@@H](OC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c2cncn2C)cn1 816321990 DXJAMJVOWSHARO-LJQANCHMSA-N 435.465 4.102 5 20 IIBD CC(C)(CCCNC(=O)OC(C)(C)C)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 817212003 WPXBVGLWBWRQDT-UHFFFAOYSA-N 442.516 4.470 5 20 IIBD Cc1cc(C)cc([C@@H](OC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C(F)(F)F)c1 818664059 OMLOEXPHAGSCRZ-QGZVFWFLSA-N 442.415 4.249 5 20 IIBD COc1ccc(CN(C)C(=O)[C@@H](OC(=O)c2ccc(SC)c([N+](=O)[O-])c2)C(C)C)cc1 876685807 VSVDQYXIPIGEFN-FQEVSTJZSA-N 446.525 4.165 5 20 IIBD O=C(Nc1ccc(OC[C@@H](O)Cc2ccccc2)cc1)c1cc([N+](=O)[O-])ccc1Cl 912075929 PZEHQFREFKZHFC-SFHVURJKSA-N 426.856 4.483 5 20 IIBD Cc1ccc(-c2nc(C)c(C(=O)O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)s2)o1 915467272 CJUSGOLMBDTIPN-ZDUSSCGKSA-N 429.454 4.421 5 20 IIBD O=C(CN1CCCCCC1)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 916398555 ORRQWICQROLZHD-UHFFFAOYSA-N 430.892 4.315 5 20 IIBD Cc1onc(-c2cccc(Br)c2)c1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 1116367332 YUXGSKQMJABBHC-UHFFFAOYSA-N 428.242 4.477 5 20 IIBD O=C(NCc1ccc(Br)o1)c1cc(Br)cc([N+](=O)[O-])c1Cl 1255483089 YWZYTDWWPZEGBQ-UHFFFAOYSA-N 438.459 4.296 5 20 IIBD C[C@H](OC(=O)c1cc2c(OC(F)(F)F)cccc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 1317941528 FMVUXEIDUHAAJD-JTQLQIEISA-N 437.330 4.159 5 20 IIBD O=C(NCCCNCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1cccc(O)c1 1322610862 LOEXSLOPDIOVDF-UHFFFAOYSA-N 429.860 4.124 5 20 IIBD COc1ccc(CSCC(=O)N2CCCCC[C@H]2c2c(C)n[nH]c2C)cc1[N+](=O)[O-] 1339137681 QTNKIKGLXYPOSQ-KRWDZBQOSA-N 432.546 4.320 5 20 IIBD Cc1nocc1C(=O)Nc1ccc(C2(NC(=O)CCc3cccc([N+](=O)[O-])c3)CCC2)cc1 1787457131 USIKWWXKLUNWMS-UHFFFAOYSA-N 448.479 4.272 5 20 IIBD CC1(C(=O)Nc2ccc(C3(NC(=O)Cn4ccc5ccc([N+](=O)[O-])cc54)CCC3)cc2)CC1 1787600787 LJEJMAURJMXXSH-UHFFFAOYSA-N 446.507 4.484 5 20 IIBD COc1ccc(CC(=O)NC2(c3ccc(NC(=O)CC(C)C)cc3)CCC2)c([N+](=O)[O-])c1 1787663505 KYPKPXISQICQSB-UHFFFAOYSA-N 439.512 4.326 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3cnccc3Cl)CCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 1790186767 RFSAIVYPJBFHHF-UHFFFAOYSA-N 439.859 4.033 5 20 IIBD C[C@]1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CC=CCC1 1793081221 YLFWFHYJIXCXNM-YWNPBTLJSA-N 445.947 4.175 5 20 IIBD CC[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1793276273 MJXKLJPWQNZMCI-KADCCVMJSA-N 429.517 4.056 5 20 IIBD CC(C)=CCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)CC2 1822734753 RSHBRAHOXWGCMS-HNNXBMFYSA-N 446.504 4.163 5 20 IIBD CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])n[nH]1 1823501346 QZFPJZSMBRUBPH-DXRVJIQQSA-N 425.489 4.070 5 20 IIBD Cc1c(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C2CCC2)CC3)cc(Cl)cc1[N+](=O)[O-] 1823703556 MYTQBGUJZIQVDO-ZDUSSCGKSA-N 448.932 4.039 5 20 IIBD C/C=C(\C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1C)CC2 1825060966 IFSVSMWHCPFSLJ-CFDVYZKQSA-N 448.932 4.205 5 20 IIBD Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1C 1830005352 RLMBKEQQSISXKT-HXUWFJFHSA-N 439.512 4.352 5 20 IIBD O=C(CC1CCC1)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 1831292658 CZCXHXJPAWIICO-QFIPXVFZSA-N 445.535 4.086 5 20 IIBD CCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCCc1cc(C)c(F)cc1[N+](=O)[O-] 1847714666 LFZQKUMWNPLQKT-OALUTQOASA-N 433.524 4.003 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CSc1nnc(CN2CCCC2)n1-c1ccccc1 12131944 PNPBJYLVFRJCHT-UHFFFAOYSA-N 425.514 4.072 5 20 IIBD COc1ccc2cc(C(=O)OCc3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])c(C)nc2c1 12454957 WNHTZNSVBMRRPR-UHFFFAOYSA-N 448.378 4.427 5 20 IIBD O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1cccc([N+](=O)[O-])c1 15437216 NZITUQMCWYXUGY-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD CSc1ccc(C(=O)OCc2nc(N)c3c4c(sc3n2)CCCC4)cc1[N+](=O)[O-] 18262102 OAYNPANEZPATMV-UHFFFAOYSA-N 430.511 4.139 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1C 18657474 HPAFMBDMKSWUDI-CYBMUJFWSA-N 441.465 4.219 5 20 IIBD C[C@H](OC(=O)CCSc1ccc(F)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 21183142 ZRWSPEMEFVUNIH-NSHDSACASA-N 426.853 4.440 5 20 IIBD COC(=O)c1ccc(OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c([N+](=O)[O-])c1 22222669 SDMFGPCMPOFBBX-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD CC(=O)N(c1nnc(Sc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])s1)C1CC1 26142277 OHNPKAQWEIFRBW-UHFFFAOYSA-N 440.506 4.344 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1C 28774597 CPCWJSLHAHEAEP-SFHVURJKSA-N 428.488 4.342 5 20 IIBD O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)c1cc2c(cc1[N+](=O)[O-])OCCO2 28842425 SVGONALFDKNBHJ-UHFFFAOYSA-N 441.343 4.127 5 20 IIBD CCN1CCC[C@H](CNC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 58275523 ZDZXTKVOWPARTL-MRXNPFEDSA-N 441.553 4.009 5 20 IIBD COc1cc(C(=O)Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)c([N+](=O)[O-])cc1OC 69055320 DYWLSDWFKZYPJW-UHFFFAOYSA-N 444.513 4.184 5 20 IIBD CCCn1ccc2cc(NC(=O)c3nn(-c4ccccc4[N+](=O)[O-])c(C)cc3=O)ccc21 72053728 KVWSWIDRXCBWRM-UHFFFAOYSA-N 431.452 4.066 5 20 IIBD CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 97568544 RYORMHXGLMQHAK-UHFFFAOYSA-N 444.326 4.171 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)c3nnn(-c4cccc([N+](=O)[O-])c4)c3C)cn2)cc1 107913604 UHDVEQXQKBHGNF-UHFFFAOYSA-N 430.424 4.232 5 20 IIBD COc1ccc(CNCc2cn3c(C)cccc3n2)cc1OCc1ccc([N+](=O)[O-])cc1 237270896 QIDVBALXIOBEKS-UHFFFAOYSA-N 432.480 4.428 5 20 IIBD COc1cc(C(=O)NCCCn2ccnc2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 301197681 MRXCIYKHRFKAAP-UHFFFAOYSA-N 430.848 4.066 5 20 IIBD Cc1cc(C)c2c(c1)c(C)cc1nnc(SC[C@H](O)COc3cccc([N+](=O)[O-])c3)n12 302752431 YFKAHRRZFGBMBR-QGZVFWFLSA-N 438.509 4.248 5 20 IIBD C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)Nc1c(Br)cncc1[N+](=O)[O-] 302798559 BBWYQBXAVNMGOV-CYBMUJFWSA-N 448.321 4.182 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N(Cc1ccc(F)cc1)C1CCOCC1 427731455 OIHCXISYKIERPG-UHFFFAOYSA-N 437.265 4.318 5 20 IIBD Cc1noc(-c2ccc(C(F)(F)F)cc2NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)n1 430838501 KSGXHPKLJWADAO-UHFFFAOYSA-N 436.346 4.298 5 20 IIBD CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 433018037 FDPRDZRXSKIEAD-UHFFFAOYSA-N 443.301 4.452 5 20 IIBD CC(C)c1[nH]nc(C(=O)N2CCC[C@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)c1[N+](=O)[O-] 433760676 UWCVZOSXQUTEIO-HNNXBMFYSA-N 428.880 4.462 5 20 IIBD O=C(Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1)c1ccc(O)c([N+](=O)[O-])c1 436957066 RNMUGMYKRUKBNQ-UHFFFAOYSA-N 437.839 4.295 5 20 IIBD CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1cc([N+](=O)[O-])ccc1O 436963715 FTMWIIIZMOIUHP-UHFFFAOYSA-N 426.448 4.315 5 20 IIBD O=C(Cc1csc(-c2cnccn2)n1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 440605791 YTEASOKHQJIYGQ-UHFFFAOYSA-N 431.477 4.284 5 20 IIBD CN(CCCCCc1cc(-c2ccccc2)n[nH]1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 443691955 IODMBTWXHXXTSQ-UHFFFAOYSA-N 442.541 4.160 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)C[C@H](O)COc1ccccc1C(F)(F)F 443952548 NUUNGGMLXOLMNF-AWEZNQCLSA-N 441.406 4.134 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N[C@@H](COc1ccccc1)c1ccccc1 445079210 FZSQZIIMJYKUBT-NRFANRHFSA-N 431.452 4.091 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC=C(c2c[nH]c3ncccc23)CC1 445665816 LORVYMGDABTXEZ-UHFFFAOYSA-N 441.285 4.092 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2 446488053 ILWAHOSTBOQPHY-LLVKDONJSA-N 436.262 4.320 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nnc(Cc3ccc4ccccc4c3)o2)c1 446770318 UQMPERHXVVNDQZ-UHFFFAOYSA-N 438.465 4.139 5 20 IIBD COC(=O)[C@](C)(CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(F)cc1 447084806 GJYFUZHEEBDZGL-OAQYLSRUSA-N 429.473 4.078 5 20 IIBD Cc1ccc(C(=O)N(C)C)cc1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 447374216 NYCHFRPLRGRUCF-UHFFFAOYSA-N 433.464 4.436 5 20 IIBD CSc1ccccc1NC(=O)CN(C)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 462505162 VPXLTOBCBKTHLF-UHFFFAOYSA-N 438.509 4.366 5 20 IIBD Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl 467852328 OAIXALCUPGLEDL-OAHLLOKOSA-N 444.919 4.190 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1cccc(COCCOc2ccccc2)c1 468715349 PXDPSJLJWZPHJG-UHFFFAOYSA-N 442.493 4.338 5 20 IIBD CC(C)[C@H]1C[C@@H](NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c2ccccc21 468732311 GIBGHZDCTQKLKZ-KZNAEPCWSA-N 427.526 4.262 5 20 IIBD CCc1[nH]nc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)c1[N+](=O)[O-] 469048990 UTBPABSDQHMNAH-UHFFFAOYSA-N 431.811 4.177 5 20 IIBD O=C([C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1C[C@@H](c2ccccc2)c2ccccc21 470204104 HLLXCIYPUOPAIO-ICSRJNTNSA-N 447.516 4.440 5 20 IIBD Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 470614096 YOBHDSGXJRSJPX-UHFFFAOYSA-N 446.463 4.451 5 20 IIBD COc1cc(OC)c2cc(CCCNC(=O)c3ccc(SC)c([N+](=O)[O-])c3)[nH]c2c1 470914017 AGIBUFGCVPVQQS-UHFFFAOYSA-N 429.498 4.178 5 20 IIBD CCc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1[N+](=O)[O-] 477908394 PGIWTRKXNKLQRX-UHFFFAOYSA-N 449.429 4.211 5 20 IIBD COc1cc(C(=O)N[C@H](CCc2ccccc2)C(F)(F)F)c([N+](=O)[O-])cc1OC(F)F 479780682 DBKDCXYGMVTIEZ-MRXNPFEDSA-N 448.344 4.498 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 480195427 HKPDCWKCQJZNOP-SKDRFNHKSA-N 448.829 4.269 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)c1[N+](=O)[O-] 480233082 PJEQUPLFFKMHJU-UHFFFAOYSA-N 439.921 4.146 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(NC(=O)NC(C)C)cc2)cc1[N+](=O)[O-] 481555796 NRPWHWIQWPWCAY-UHFFFAOYSA-N 432.502 4.005 5 20 IIBD COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1OCC(F)(F)F 483856958 NLFWNWQJVDDWOK-UHFFFAOYSA-N 436.289 4.398 5 20 IIBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cnc(Cc2ccccc2F)s1 484116389 VXLCIFRXWBPRDJ-UHFFFAOYSA-N 429.429 4.195 5 20 IIBD Cc1c(C(=O)N2CCCc3c2cccc3[N+](=O)[O-])nnn1Cc1ccc(C(F)(F)F)cc1 486448981 IBMBGWDNKCDQHQ-UHFFFAOYSA-N 445.401 4.155 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)Nc1ccc(Cl)cc1C(F)(F)F 487865400 DSNIKKXKSMZSOX-UHFFFAOYSA-N 425.750 4.221 5 20 IIBD O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 490374361 YOMQPCHSQGXYFA-UHFFFAOYSA-N 438.831 4.260 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@H](c1ccccc1)N1CCCOCC1 494802964 ANSWEKDGQLHRKJ-FQEVSTJZSA-N 438.509 4.120 5 20 IIBD CC(C)COc1ccc(C(C)(C)CNC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 494906292 WOMPGFLTKZEQAC-UHFFFAOYSA-N 443.548 4.150 5 20 IIBD CCN(CCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1cccc(C)c1 497048047 BNYOLGNPSNDNCG-UHFFFAOYSA-N 425.407 4.101 5 20 IIBD Cc1cc(I)ccc1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 497780677 UGKOWNGKXMIKID-UHFFFAOYSA-N 433.205 4.308 5 20 IIBD CC(=O)N[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(Cl)cc1 499502040 HMHWIJTWLRKTQE-HNNXBMFYSA-N 429.782 4.473 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(Cc1cccnc1)c1cc(C)ccc1Cl 500758695 MLUWRDNYLGZZMM-UHFFFAOYSA-N 447.900 4.356 5 20 IIBD CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]2CCCC[C@H]21 501055271 ATGFOZAWUBTGGM-HZKQSDJQSA-N 444.576 4.107 5 20 IIBD COc1cccc(Oc2ccc(CNC(=O)CSc3ccc([N+](=O)[O-])cc3)cn2)c1 501376576 GXYRXSWEGULIJS-UHFFFAOYSA-N 425.466 4.199 5 20 IIBD CC(C)(C)C(=O)NCCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 503445506 FUGCYGVHEHIOHP-UHFFFAOYSA-N 435.933 4.292 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(Oc3ccccn3)cc2)cc1[N+](=O)[O-] 504124533 ZLYINZUXNVJZCR-UHFFFAOYSA-N 448.464 4.314 5 20 IIBD O=C(NC1(c2ccc(Cl)cc2)CCCCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 505145521 MSAZMLYGNLMRHW-UHFFFAOYSA-N 425.876 4.418 5 20 IIBD C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[S@@](=O)CCC(=O)Nc1ccccc1[N+](=O)[O-] 507679919 ZRJZEFJKQBWFLO-GTMAHKLRSA-N 448.888 4.137 5 20 IIBD CN(Cc1ccc(OCC(F)(F)F)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 509107225 GEJDXGMWXITNIV-UHFFFAOYSA-N 438.811 4.010 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(NC(=O)c2ccncc2)c1 509781884 JLXBMAJZHVCZCH-UHFFFAOYSA-N 447.495 4.362 5 20 IIBD CCS(=O)(=O)c1cccc(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])c1 513068603 KTWBDFHEMMDUJD-UHFFFAOYSA-N 439.362 4.050 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CSc1nnc(N2CCCCC2)n1-c1ccccc1 514483951 ABBKKOXANIHGOL-UHFFFAOYSA-N 425.514 4.467 5 20 IIBD COc1cc(CCNC(=O)N2CCC[C@@H]2Cc2ccccc2Cl)c([N+](=O)[O-])cc1OC 516661498 LDFLGKCCLMVGEK-QGZVFWFLSA-N 447.919 4.225 5 20 IIBD Cc1ccc(-n2cnnc2S[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl 517554841 LSBABKQRYBWFHX-KRWDZBQOSA-N 429.889 4.035 5 20 IIBD Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 518563216 WSPRHZOFTHTOHQ-GFCCVEGCSA-N 433.921 4.489 5 20 IIBD O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1cccc(-n2nccc2C(F)(F)F)c1 520244988 BJSWFAGGEVWDAV-UHFFFAOYSA-N 442.357 4.237 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C 520669249 RWBHWHAGPBBWED-LBPRGKRZSA-N 442.472 4.290 5 20 IIBD COc1cccc(Nc2nnc(S[C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)s2)c1 520968949 WFJLFJCQGLOONY-MRXNPFEDSA-N 443.510 4.096 5 20 IIBD CC(=O)Nc1cc(Cl)ccc1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 521570832 HAFUPBPZZYWRHH-UHFFFAOYSA-N 441.875 4.321 5 20 IIBD CN(Cc1ccccc1Br)c1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl 523299803 FAAHWTHKCBMBMS-UHFFFAOYSA-N 449.692 4.193 5 20 IIBD CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)c1 523492686 HLIJOKNCPRBPEF-LBPRGKRZSA-N 434.290 4.272 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCc3cccc(-n4cncn4)c3)c([N+](=O)[O-])c2)cc1 524231569 SDBCMOHELIFWOA-UHFFFAOYSA-N 428.452 4.348 5 20 IIBD Cc1ccc(S(=O)(=O)N(C)[C@@H](c2ccncc2)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 530903816 JKEDKXMWQOJHRY-HXUWFJFHSA-N 431.901 4.362 5 20 IIBD CCCc1ccc(-c2cc(NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)n(CCO)n2)cc1 534248940 KZGKQXCGPGMYMO-UHFFFAOYSA-N 433.468 4.137 5 20 IIBD CSc1nnc(CCCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)n1C1CCCC1 545119531 NPNCKPWVBOFHNN-UHFFFAOYSA-N 449.552 4.189 5 20 IIBD CCCCS(=O)(=O)Nc1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cc1 545854576 VTWLLFNMRVPBKL-UHFFFAOYSA-N 437.493 4.192 5 20 IIBD CC(C)(C(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])cc1F 545864088 TXQDCTFAFAWJDL-UHFFFAOYSA-N 447.894 4.040 5 20 IIBD C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[C@H](OC1CCOCC1)c1ccccc1 546526221 FFYCJKQOMPETQD-AOMKIAJQSA-N 444.503 4.453 5 20 IIBD CCOC(=O)C[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1cccc(OC)c1 547706006 GIEAKXNDARAAKC-QHCPKHFHSA-N 444.487 4.114 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 552680087 FCQOCXQPXYNZPS-HXOBKFHXSA-N 443.931 4.140 5 20 IIBD CN(Cc1nc(-c2cccs2)no1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 554123340 HAQNIEWOYWUXJT-UHFFFAOYSA-N 441.391 4.067 5 20 IIBD COc1ccc(CN2CC[C@H]3[C@@H](CCCN3C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 557014101 NIBMMKPEEHAPQD-UNMCSNQZSA-N 425.529 4.099 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 558178990 BWJAIYVFEDFQNX-KRWDZBQOSA-N 425.363 4.407 5 20 IIBD COCC1(NC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CCOCC1 558432335 XBELTDJHWZDBKD-UHFFFAOYSA-N 436.917 4.325 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@H](C)c3ccnc(O)c3)c([N+](=O)[O-])c2)c(C)c1 558952558 OLXAGVNXAHCFSY-OAHLLOKOSA-N 442.497 4.286 5 20 IIBD C[C@@H](Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 561448848 UXKKCXMBQUYVSX-CQSZACIVSA-N 437.481 4.445 5 20 IIBD Cn1ncc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1-c1ccccc1 565851100 GCZQMDMFODHBHC-UHFFFAOYSA-N 433.390 4.455 5 20 IIBD C[C@H](C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1)c1cccc([N+](=O)[O-])c1 569873686 OWTPKPDBPQUHAD-LSDHHAIUSA-N 432.318 4.104 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 573669256 IMALHBCNEYXMRV-CHWSQXEVSA-N 428.361 4.217 5 20 IIBD CN1CCN(CCCN(C)Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 576670990 XPMQWWMZLWOOEK-UHFFFAOYSA-N 432.952 4.110 5 20 IIBD CC(=O)N1C[C@H]2[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)CCC[C@H]2C1 576831132 OSPZCWIETGMBSH-DQLDELGASA-N 439.537 4.123 5 20 IIBD Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 577167143 ZMAWNTRDIVPLFL-UHFFFAOYSA-N 432.223 4.994 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N[C@H](C1CC1)C(F)(F)F 578464056 BVSDTHBKJVONHO-OAQYLSRUSA-N 444.413 4.447 5 20 IIBD COc1ccc(S(=O)(=O)N2CCc3sccc3[C@@H]2c2cccs2)c([N+](=O)[O-])c1 591587340 OEHAVAAILHFGTM-GOSISDBHSA-N 436.536 4.063 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc(Cl)c2cccnc12 602031949 TYBAUCLYQCDFSH-UHFFFAOYSA-N 426.816 4.123 5 20 IIBD COC(=O)C(C)(C)NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 603568132 BXGFQFLKJKIURR-QINSGFPZSA-N 439.493 4.203 5 20 IIBD C[C@H](NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1)c1cccc([N+](=O)[O-])c1 603967052 WIDYJSXELDYNNB-KSZLIROESA-N 439.512 4.254 5 20 IIBD Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] 603982122 AXJIPAQRIQZVNB-HUUCEWRRSA-N 445.541 4.131 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCc2ccccc2CN(C)C)cc1[N+](=O)[O-])c1ccccn1 604308524 SBOVHWIIUCCXTL-QGZVFWFLSA-N 433.512 4.155 5 20 IIBD Cc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1CCc1cccs1 609009444 YKWGNGKQQBGSAR-UHFFFAOYSA-N 437.934 4.183 5 20 IIBD COc1ccc(CC(=O)N(Cc2cc(Br)ccc2F)C(C)C)cc1[N+](=O)[O-] 609010437 BGJDTYPWMZLZEM-UHFFFAOYSA-N 439.281 4.485 5 20 IIBD COc1ccc(CCNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1F 609116401 KGLXLCRHBUQLAP-UHFFFAOYSA-N 432.395 4.212 5 20 IIBD CC(C)c1nc2cc(NS(=O)(=O)c3ccc(Br)cc3[N+](=O)[O-])ccc2o1 609128388 OSCXSJRKGOPVIR-UHFFFAOYSA-N 440.275 4.423 5 20 IIBD COc1cc(CCNC(=O)[C@H]2C[C@H]2c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC 609514234 MJKQSVNLVGNKKH-HOTGVXAUSA-N 438.402 4.093 5 20 IIBD CC1CCC(N(C(=O)CSCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C2CC2)CC1 609770731 MCQNWWYGINFADT-UHFFFAOYSA-N 447.557 4.196 5 20 IIBD COc1ccc(C(=O)COc2ccc([N+](=O)[O-])cc2Br)cc1Br 609962044 WERPJTAVZYJSGP-UHFFFAOYSA-N 445.063 4.390 5 20 IIBD COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C 610031213 WZIAOPQDMFPMDI-QGZVFWFLSA-N 433.892 4.407 5 20 IIBD CCN(CC)CCOc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Br 610038002 GWKYBXHSZZWIIJ-UHFFFAOYSA-N 436.306 4.330 5 20 IIBD Cc1ccc(NCCCNC(=O)Nc2ccc(OC3CCOCC3)c(C)c2)c([N+](=O)[O-])c1 610096012 JOSMDIYRWHTVOH-UHFFFAOYSA-N 442.516 4.393 5 20 IIBD Cc1nc2ccnn2c(C)c1CCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 610365066 XLXBLVVWJOAALB-UHFFFAOYSA-N 429.480 4.420 5 20 IIBD CCOc1ccc(C(=O)N[C@H](C(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)C(C)C)cc1 610555997 HIWRODMVCSNYMS-RTWAWAEBSA-N 427.501 4.015 5 20 IIBD O=C(NCc1nc(-c2ccncc2)no1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611199149 YAUPNEIXPBOPLS-UHFFFAOYSA-N 425.470 4.005 5 20 IIBD COc1ccc2[nH]cc(CCNC(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)c2c1 618812325 DOVLXXYAAKJTOE-UHFFFAOYSA-N 436.390 4.145 5 20 IIBD Cc1ccc(C)c2sc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(Br)c3)nc12 727247133 QOENPGFPNDLCSR-UHFFFAOYSA-N 442.316 4.385 5 20 IIBD CCc1ccc([C@@H](C)NC(=O)[C@H](C)OC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])cc1 728656476 KZMDPLGZSZSZKB-KGLIPLIRSA-N 446.525 4.310 5 20 IIBD CC(C)(C)OC(=O)NC1(c2noc(-c3ccn(-c4cccc([N+](=O)[O-])c4)n3)n2)CCCC1 731799606 SQICYKPGWBJSML-UHFFFAOYSA-N 440.460 4.125 5 20 IIBD CN(C)C1CCN(c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)cc2F)CC1 735439449 KGOQKHSSSGIQSU-UHFFFAOYSA-N 434.899 4.099 5 20 IIBD CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Oc1cc([N+](=O)[O-])c(Cl)cc1C 735643956 KFMDTHIMWMCRSC-YJYMSZOUSA-N 430.888 4.462 5 20 IIBD COc1cc(OC)cc([C@@H](O)CNCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)c1 735676339 KQLPWBQDOFOTCJ-DEOSSOPVSA-N 437.496 4.203 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 739471994 UFRSKDZHNBBCEH-GJZGRUSLSA-N 432.502 4.350 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[C@H](SC)C1 742421699 QOPVAGAKJMJSPG-ZFWWWQNUSA-N 437.543 4.100 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1cccc(NC(=O)c2ccccc2)c1 742632815 SSHLAJSIMLRDDL-UHFFFAOYSA-N 426.450 4.177 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](C(=O)N1CCCCC1)c1ccccc1 746154296 QFNAIGAMYLJVLP-OXQOHEQNSA-N 428.510 4.372 5 20 IIBD Cc1cc(N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)ncc1[N+](=O)[O-] 746389105 BAAVQHKVHXYJIE-UHFFFAOYSA-N 439.497 4.257 5 20 IIBD Cc1ccc(Cl)cc1NC(=O)COC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 747962687 IYJRXXVUVGPMNR-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD CN(C)c1cc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccn1 748586276 UGMYPKJNSMNMHU-UHFFFAOYSA-N 439.859 4.214 5 20 IIBD CN(C)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1ccccc1Cl 754974828 RLDFUVJIJZXRMB-OAHLLOKOSA-N 444.688 4.183 5 20 IIBD O=[N+]([O-])c1ccc(CCc2nc(Cc3coc(-c4ccc(F)cc4)n3)no2)c([N+](=O)[O-])c1 761549816 CTPBNFZNCJTQMK-UHFFFAOYSA-N 439.359 4.056 5 20 IIBD COc1ccc(Cn2cc([N+](=O)[O-])cc(Br)c2=O)cc1SC(F)(F)F 761848550 JGSUFRYHLQFUAC-UHFFFAOYSA-N 439.209 4.188 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1 765583212 ZPTKBYFHNZCNTN-FUHWJXTLSA-N 443.519 4.141 5 20 IIBD CC(C)(C)Oc1cc(F)ccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 766570610 FTRXZPXHEKHNKO-GFCCVEGCSA-N 433.411 4.042 5 20 IIBD C[C@]1(O)CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)C1 767128624 IVOGWMGZXZHKDD-VWLOTQADSA-N 437.540 4.041 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCc2sc(Br)cc2C1 772006705 BTVASYRZPZKPHR-UHFFFAOYSA-N 430.711 4.340 5 20 IIBD C[C@H]1C[C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCN1C(=O)OC(C)(C)C 773803406 PLSGWSFRRKTXJU-ZWKOTPCHSA-N 449.551 4.059 5 20 IIBD Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776218334 OVYCGRNMECODHV-QHCPKHFHSA-N 445.479 4.072 5 20 IIBD CCOC(=O)C[C@H](c1ccccc1)C1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 776586579 GDSPEIGXIDFAHV-PKTZIBPZSA-N 426.513 4.077 5 20 IIBD COCC[C@H](Nc1cc([N+](=O)[O-])c(OC)c(Br)c1[N+](=O)[O-])c1ccc(C)o1 778011155 ZTVRUNKQOJDLGD-JTQLQIEISA-N 444.238 4.365 5 20 IIBD O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1cccc(Cl)c1[N+](=O)[O-] 778105030 OQNMUHKKVQVBSF-CQSZACIVSA-N 428.659 4.090 5 20 IIBD CCOC(=O)c1nc(-c2ccccc2)oc1COC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 778168984 GYMRMDFDZQJCRK-UHFFFAOYSA-N 446.362 4.262 5 20 IIBD COCc1nc(OC)c2c(C)c(C(=O)O[C@H](C)c3cc([N+](=O)[O-])ccc3C)sc2n1 778754791 WQZVZDBQOQVMMX-GFCCVEGCSA-N 431.470 4.289 5 20 IIBD O=C(O[C@@H](CSc1nc[nH]n1)c1ccccc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 781516511 SGFUFHDCAOUHIF-NRFANRHFSA-N 442.500 4.490 5 20 IIBD Cc1cc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n(-c2ccc(Cl)cc2)n1 781595078 LPWJVHJNZATGQR-UHFFFAOYSA-N 429.820 4.222 5 20 IIBD O=C(Nc1ccccc1CN1CCSCC1)c1cccc([N+](=O)[O-])c1Br 782123512 PUPIWLDSYDKSGS-UHFFFAOYSA-N 436.331 4.158 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 783317902 XHNSUXXLFVYQSK-UHFFFAOYSA-N 426.860 4.074 5 20 IIBD CC(C)(C)OC(=O)NCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cc1 784128508 FHSXIBRGJJKMAM-UHFFFAOYSA-N 435.864 4.404 5 20 IIBD O=C(COC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(OC(F)F)c(Cl)c1 785938807 CXUCIAHKNQFTNA-UHFFFAOYSA-N 449.193 4.227 5 20 IIBD O=C(COC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H](c1ccccc1)c1cccs1 785948619 ABOCXFOHGAPWMF-OAQYLSRUSA-N 444.896 4.301 5 20 IIBD O=C(COc1cc([N+](=O)[O-])ccc1Br)Nc1ccc2c(c1)OC1(CCCC1)O2 786744522 UAYNKUDYNHNUDA-UHFFFAOYSA-N 449.257 4.416 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc2ccccc2n1CC(F)(F)F 787189276 OCFLLEYFFPEGDK-UHFFFAOYSA-N 435.358 4.216 5 20 IIBD CC(C)(C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(OC(F)(F)F)cc1 789244296 HNABEIAOPVRFGM-UHFFFAOYSA-N 441.358 4.381 5 20 IIBD COc1ccc(OC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] 792118593 FURKKWQTIKNRRN-OAHLLOKOSA-N 439.251 4.120 5 20 IIBD C[C@H](OC(=O)CCc1cnc2ccccc2c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 795801505 NJHKVAAFDUANRV-ZDUSSCGKSA-N 427.844 4.299 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1cc(S(=O)(=O)C2CCCC2)ccc1F 797452838 IORJWIWPRXQMHW-UHFFFAOYSA-N 441.864 4.461 5 20 IIBD CN(c1ccc(C(F)(F)F)cc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 797995497 FGKRXFIBTVZHQA-UHFFFAOYSA-N 439.755 4.000 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 799779640 CSJITJWYRDPKMJ-HNNXBMFYSA-N 437.562 4.474 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H](c1ccccc1)c1cccc(F)c1 800615027 KMIYJVUKWQFWLL-HXUWFJFHSA-N 425.391 4.026 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)OCc2nnc(-c3c(-c4ccccc4)noc3C)o2)c1F 803462837 SQWPYALVIVDZPH-UHFFFAOYSA-N 438.371 4.413 5 20 IIBD C[C@@H](OC(=O)c1ccnc(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 805658807 KKNUWSMHTUELID-LLVKDONJSA-N 444.806 4.028 5 20 IIBD CCc1nc2c(s1)[C@H](N(C)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)CCC2 809826938 WGKMSMXUZSWNAC-GFCCVEGCSA-N 433.914 4.104 5 20 IIBD Cc1ccc(CCC(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)s1 811254919 IYLSYDJLQJANQL-LLVKDONJSA-N 430.404 4.487 5 20 IIBD O=C(OCc1ccc(S(=O)(=O)C(F)F)cc1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811372825 IKSSDKNESPLWNS-UHFFFAOYSA-N 440.207 4.255 5 20 IIBD Cc1c(C(=O)N2CCC(c3noc4cc(F)ccc34)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 811600462 GMWZFLFRUSIPBJ-UHFFFAOYSA-N 428.376 4.112 5 20 IIBD CNC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 814374547 OHADBCWDOVSBAB-SFHVURJKSA-N 437.418 4.330 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccccc1Cl 823309921 PNDIYYAZKDQGBI-OAHLLOKOSA-N 445.903 4.273 5 20 IIBD COc1c([N+](=O)[O-])cc(NCCCN(C)C2CCCCC2)c([N+](=O)[O-])c1Br 913046426 DIELLSBRPIMXSU-UHFFFAOYSA-N 445.314 4.341 5 20 IIBD COc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1OC(F)F 914736757 MCOKIYBGZZNLKZ-UHFFFAOYSA-N 449.454 4.467 5 20 IIBD COC(=O)[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1)c1ccccc1 915441513 GYOYCZQIKXRMNQ-NRFANRHFSA-N 437.404 4.467 5 20 IIBD Cc1ncc(-c2ccc(NS(=O)(=O)c3cc(Br)ccc3[N+](=O)[O-])cc2)o1 917734998 PLXMJOTYQIZNCF-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)Oc2cccc(C(C)C)c2)c([N+](=O)[O-])c1 919449582 FEJGBOZZQNIOME-CABCVRRESA-N 430.457 4.065 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1 919698092 SAZFLXWTABRGBT-LUTRRODMSA-N 441.915 4.001 5 20 IIBD CO[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1ccc(F)cc1 1116413349 KTSSKPZFBHJXSM-CQSZACIVSA-N 431.645 4.267 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccnc(Cc2ccccc2)n1 1321688081 JWFRFDUODJUKQG-UHFFFAOYSA-N 427.258 4.299 5 20 IIBD CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@@H]1c1nnc(COc2ccccc2[N+](=O)[O-])o1 1326072706 MOIRRDXAACFBRO-GDBMZVCRSA-N 442.428 4.493 5 20 IIBD COc1cccc(C(=O)OCC(=O)N(CC(F)(F)F)c2ccc(Cl)cc2)c1[N+](=O)[O-] 1343807465 ORQQJKXVQFYADL-UHFFFAOYSA-N 446.765 4.009 5 20 IIBD CC1=C(C(=O)NC2(c3ccc(NC(=O)CCc4cccc([N+](=O)[O-])c4)cc3)CCC2)CCO1 1786600120 KXCMNXYEISPITD-UHFFFAOYSA-N 449.507 4.356 5 20 IIBD Cc1cc(C)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2cccc([N+](=O)[O-])c2)c1 1793940219 UHRMKMMKVFWZOC-KOUNCHBCSA-N 435.524 4.096 5 20 IIBD Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2cccc([N+](=O)[O-])c2)cc1C 1793940256 WLZQJZUUUPSXFR-KOUNCHBCSA-N 435.524 4.096 5 20 IIBD O=C(c1ccc(Oc2ccccc2)cc1)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 1840966238 AFSVAIDHTUMHPX-UHFFFAOYSA-N 447.447 4.111 5 20 IIBD CC(C)[C@H]1CC[C@H](C(=O)N2CC3(CCCN3C(=O)c3ccc([N+](=O)[O-])cc3F)C2)CC1 1845315758 NZEYLLDZIVMQEA-QAQDUYKDSA-N 431.508 4.013 5 20 IIBD CCCCC[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1ccc(Cl)cc1[N+](=O)[O-] 1847543680 MRQNNSPFGNZEBU-MNEFBYGVSA-N 435.952 4.209 5 20 IIBD COc1ccc([N+](=O)[O-])cc1OCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 14070062 JQJOUYQBIULLMZ-HNNXBMFYSA-N 427.438 4.015 5 20 IIBD COc1cc(OC)c(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1Cl 14845408 WAVCCRBRQSBZBD-UHFFFAOYSA-N 444.875 4.379 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)c2ccc(NC(=O)CC(C)C)cc2)c1 16196484 SUUCJDJGNBXWCJ-UHFFFAOYSA-N 430.482 4.341 5 20 IIBD C[C@H](OC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2)C(N)=O 20894299 SLROIPNNWYGZAG-AOHITCTBSA-N 431.448 4.051 5 20 IIBD CSc1ccc(C(=O)OCC(=O)Nc2ccc(SC(F)F)cc2)cc1[N+](=O)[O-] 22523440 MLWYCMLOZIEDLE-UHFFFAOYSA-N 428.438 4.427 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)N(C)Cc2ccc(Br)cc2)cc1[N+](=O)[O-] 25872273 PHKWVJZNAWRWHU-UHFFFAOYSA-N 433.711 4.140 5 20 IIBD C[C@H](c1nnc(Sc2nc3ccccn3c2[N+](=O)[O-])n1-c1ccc(Cl)cc1)N(C)C 29001753 GNDUMUFOVBUWIU-GFCCVEGCSA-N 443.920 4.250 5 20 IIBD C[C@@H]1CCCN(Cc2ccccc2CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 65058747 PBHOTYGECZDIRI-GOSISDBHSA-N 447.539 4.157 5 20 IIBD Cc1ccc(-n2nc(C)c(CC(=O)NCCc3ccc([N+](=O)[O-])cc3)c2C)cc1Cl 65123879 GKURJNRCEZTVQU-UHFFFAOYSA-N 426.904 4.261 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc(OCc2ccncc2)c(OC)c1 107995235 ITVDTQFNUOZBFD-OAHLLOKOSA-N 436.468 4.110 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCCSc2ccc(Cl)cc2)ccc1[N+](=O)[O-] 110317727 GBLCSQDYRZRBIC-LJQANCHMSA-N 447.944 4.070 5 20 IIBD C[C@@H]1CN(C[C@H]2CCCN2C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C[C@@H](C)O1 195661782 BIBNWZGFWXUSBE-DBXWQHBBSA-N 438.528 4.052 5 20 IIBD Cc1cc(Sc2nnc(-c3c[nH]c4ccccc34)n2C[C@H]2CCCO2)ncc1[N+](=O)[O-] 301454871 VWNTXEAAJATZIM-CQSZACIVSA-N 436.497 4.368 5 20 IIBD COc1cc(NCCC(=O)Nc2ccc(Br)cc2C)c(F)cc1[N+](=O)[O-] 301911598 BQBFHOWFAOVIPE-UHFFFAOYSA-N 426.242 4.254 5 20 IIBD O=c1c(Cl)c(N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)cnn1-c1ccc([N+](=O)[O-])cc1 301989931 MGKMDGQIQGZODH-LPHOPBHVSA-N 447.278 4.390 5 20 IIBD O=C(c1cccc(Cl)c1)N1CCCN(c2ccc([N+](=O)[O-])cc2OC(F)F)CC1 302165234 QWNLBNWADFDCBF-UHFFFAOYSA-N 425.819 4.202 5 20 IIBD O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3ccc4cc(Br)c(F)cc4n3)C2)nc1 302798433 RLENIXPXLOIRKG-GFCCVEGCSA-N 432.253 4.130 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N(Cc1ccc(F)cc1)C1CCOCC1 426109627 DJKALLMUSHHYJC-UHFFFAOYSA-N 435.883 4.321 5 20 IIBD O=C([C@@H]1C[C@H]1c1ccc(Cl)s1)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 427458751 NSRVLTFDYGABAD-ZIAGYGMSSA-N 445.932 4.028 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@@H]2CCC[C@H]2c2ccccc2)cc(Br)cc1[N+](=O)[O-] 430324918 VZLDYJOCJKNFOE-JKSUJKDBSA-N 446.301 4.057 5 20 IIBD CC(C)(NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)c1ccc([N+](=O)[O-])cc1 430543803 MYCUPVYKQIUWPG-UHFFFAOYSA-N 435.933 4.213 5 20 IIBD COC(=O)CSCc1cccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 430917410 DAYBDAJCYWZLQO-UHFFFAOYSA-N 439.287 4.016 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1ccccc1Br)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 431164234 UKCRGHKKNJITIF-DOTOQJQBSA-N 430.302 4.243 5 20 IIBD COc1cc(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cc([N+](=O)[O-])c1OC 435381734 VNCHYZIOSFDHMZ-SNVBAGLBSA-N 445.419 4.107 5 20 IIBD COc1ccc(NC(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)cc1[N+](=O)[O-] 437487720 AWZBOQLXNYMEPV-UHFFFAOYSA-N 438.267 4.040 5 20 IIBD O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 438020250 QMXAUNDIZZDWKB-KRWDZBQOSA-N 428.558 4.243 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 446485148 NOWKNBQXWXXEHS-OAHLLOKOSA-N 429.452 4.108 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](CSc3ccccc3)C2)c(C(F)(F)F)c1 447035063 WHWQNNIAFKFVRV-ZDUSSCGKSA-N 446.472 4.417 5 20 IIBD C[C@H]1c2cc(F)cc(F)c2CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 447036059 CNAVSFFBRWIGNV-VIFPVBQESA-N 436.358 4.200 5 20 IIBD O=C(Nc1cccc(CNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])c1)c1ccccc1 447812861 STQAJVMRBIHQJT-UHFFFAOYSA-N 446.507 4.291 5 20 IIBD Cc1cc(S(=O)(=O)Nc2noc(-c3ccccc3)c2Br)ccc1[N+](=O)[O-] 448536578 FUFHCKHUFDCRJT-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)ccc1[N+](=O)[O-] 460663093 QHMFCMGLTHNKDD-JMUQELJHSA-N 435.524 4.160 5 20 IIBD O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1 461453584 YZMRVKCBZYSCIQ-SFTDATJTSA-N 437.543 4.275 5 20 IIBD COc1ccc([C@H](Cc2ccccc2)NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 462360060 PNOGNQCTGKSLNN-QFIPXVFZSA-N 449.511 4.130 5 20 IIBD COc1ccc(C(=O)Nc2ccc(C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)s2)cc1 466650162 FYWNMDQLZLXURV-UHFFFAOYSA-N 437.477 4.116 5 20 IIBD Cc1ccc(CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)c(OC[C@H]2CCCO2)c1 466830500 GKGIQDRSPWLAEW-HXUWFJFHSA-N 439.512 4.309 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1cccc(Oc2ccccc2)c1 467847711 AUSGEPPIZXZNFW-UHFFFAOYSA-N 425.828 4.295 5 20 IIBD Cc1cccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1Br 470023707 DULZMPCVSNSXKU-UHFFFAOYSA-N 448.302 4.198 5 20 IIBD C[C@H](Sc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C)C(=O)c1ccccc1C(F)(F)F 473795527 JUSOEKRMIJZOAH-JTQLQIEISA-N 437.399 4.224 5 20 IIBD CCOc1cc(N2CCN(Cc3ccc(OCc4ccccn4)cc3)CC2)ccc1[N+](=O)[O-] 475508299 CESMYFGILQTBDX-UHFFFAOYSA-N 448.523 4.290 5 20 IIBD CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)Cc1ccccc1[N+](=O)[O-] 475696218 RDKINYWYAHYMLW-SFHVURJKSA-N 435.318 4.054 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1 476387859 UAGNXOPLKZANGF-UHFFFAOYSA-N 438.824 4.116 5 20 IIBD C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)N2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)o1 478091343 XQAKSHSQXHNZPO-UBDQQSCGSA-N 449.511 4.030 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)c1[N+](=O)[O-] 480234196 WJTSVYYLBUGFJG-LJAQVGFWSA-N 444.534 4.320 5 20 IIBD CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 485706640 LYRKDNDIIWPLNR-AWEZNQCLSA-N 438.509 4.177 5 20 IIBD CCOC(=O)[C@H](NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 485884417 SBFSYOQZLJKBSD-QGZVFWFLSA-N 442.415 4.126 5 20 IIBD CC[C@H](C)C(=O)Nc1cccc(CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 486274946 ILEDPPPVLGMYSN-AWEZNQCLSA-N 432.908 4.275 5 20 IIBD O=C(c1cn(-c2ccccc2)nc1-c1cccs1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 487045491 NIUWQAUEDJNPIX-UHFFFAOYSA-N 448.508 4.183 5 20 IIBD CCOc1cc(-c2ccccc2)sc1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 487052546 YEXCLAJXUHPXQC-UHFFFAOYSA-N 426.498 4.396 5 20 IIBD C[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCN(Cc2ccccc2)C1 490342022 SDKSSDWHNLVKDP-GDBMZVCRSA-N 434.443 4.228 5 20 IIBD COCCC1(CNc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])CC1 493664340 YMWGWJIQCPSBGM-UHFFFAOYSA-N 433.530 4.241 5 20 IIBD COc1ccc(N(Cc2ccccc2)C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1 499243812 OCYRHACXGQKQQB-UHFFFAOYSA-N 429.436 4.031 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 501723827 VUJKMUPODOMHAM-UHFFFAOYSA-N 441.875 4.291 5 20 IIBD COc1ccc(C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1[N+](=O)[O-] 502196826 MIKGQUIREPGMDT-UHFFFAOYSA-N 429.476 4.131 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 502721895 OQOIGIJYZASQKI-UHFFFAOYSA-N 447.944 4.349 5 20 IIBD O=C(c1cc2ccccc2[nH]1)N1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 505644661 BRXVVAQWIIVATC-UHFFFAOYSA-N 434.499 4.468 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1[N+](=O)[O-])c1ccccn1 506010502 RQBGLPYPIDKITA-QGZVFWFLSA-N 449.486 4.264 5 20 IIBD COc1c(Cl)cc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1Cl 506305356 MMPMQRXIDFBFES-UHFFFAOYSA-N 440.239 4.237 5 20 IIBD O=C(Nc1cccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)c1)Nc1cccc(C(F)(F)F)c1 506768308 TYVLNCGHGFUZTH-UHFFFAOYSA-N 434.334 4.233 5 20 IIBD CCOC(=O)c1c(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc(OC)cc1OC 506821886 GPXRWRIDILNUDO-UHFFFAOYSA-N 445.472 4.231 5 20 IIBD CC(C)CN(C(=O)[C@@H](C)NC(=O)C1CCCC1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 509286556 LMNLOUDVYCVQBG-OAHLLOKOSA-N 444.557 4.402 5 20 IIBD COc1ccc(Br)c(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c1 510853919 NZSYALBQNSAFSB-UHFFFAOYSA-N 446.204 4.289 5 20 IIBD COC1CN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2cccc([N+](=O)[O-])c2)CCC3)C1 511291636 HOGIECSOHSXXLC-SFQUDFHCSA-N 429.476 4.491 5 20 IIBD COc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OCc1cn2ccccc2n1 511397101 IFRSBZJKNJCBQW-UHFFFAOYSA-N 432.436 4.391 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 513076350 OQDKGYLITLKTMZ-AWEZNQCLSA-N 433.306 4.314 5 20 IIBD C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)C(=O)N(C)Cc3ccccc3[N+](=O)[O-])c2)C1 521118925 FCHPMGHVWWPMPD-UTKZUKDTSA-N 439.512 4.287 5 20 IIBD COCCN(CCOc1ccc(F)cc1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 521280580 YDRHMDVOWPOGRD-UHFFFAOYSA-N 445.472 4.025 5 20 IIBD O=C(CCN1CCCCC1)Nc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 522747993 JECNDYXIQWBBLN-UHFFFAOYSA-N 444.919 4.244 5 20 IIBD CCc1nc(CN(C)C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cs1 522889866 ROHPHMKLMUHMEH-UHFFFAOYSA-N 440.312 4.378 5 20 IIBD Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 523125019 YDIBYTDBAMPGBR-UHFFFAOYSA-N 440.456 4.397 5 20 IIBD CC(C)Oc1ccc(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c(C(F)(F)F)c1 523296285 HSKZIZOOWBCBEY-UHFFFAOYSA-N 432.420 4.416 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3nc(-c4cnn(C)c4)cs3)cc2[N+](=O)[O-])C1 525066156 KFIDWESRELILRO-KBPBESRZSA-N 440.529 4.186 5 20 IIBD O=C(N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1(Cc2cccc(Cl)c2)CCCC1 525560123 CXEFAXCEZMMPLI-UHFFFAOYSA-N 428.920 4.095 5 20 IIBD COc1ccc(Oc2ccc(NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)cn2)cc1 525595199 BJABBJYZRNHROW-UHFFFAOYSA-N 431.408 4.229 5 20 IIBD COc1cc(NC(=O)COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(OC)cc1Cl 534948506 HEHHWZQAMKCFLJ-UHFFFAOYSA-N 434.754 4.302 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(C(=O)NCC(F)(F)F)cc1 542195054 RBHQWUURGSGFMW-UHFFFAOYSA-N 447.822 4.271 5 20 IIBD O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 542866098 PIPUEZXNRSETEH-CZUORRHYSA-N 430.766 4.249 5 20 IIBD Cn1c(COc2ccc(Cl)cc2)nnc1Sc1ncnc2cccc([N+](=O)[O-])c12 543450024 VAVNIPAEOMFWAL-UHFFFAOYSA-N 428.861 4.050 5 20 IIBD Cc1ccc(CNC(=O)c2cccc(CNC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)c2)cc1 543468159 OOHDIAPSBMUXEL-QGZVFWFLSA-N 449.482 4.392 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 544108954 HKENBHKUZYRNLS-NSHDSACASA-N 444.435 4.168 5 20 IIBD C[C@@H](NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccc(NC(=O)c2ccncc2)cc1 544442783 GKIFVHCQJRHIKZ-HUUCEWRRSA-N 436.443 4.362 5 20 IIBD CCc1nc([C@H](C)N[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cs1 544468615 FYYQIAYTGJJDFZ-RYUDHWBXSA-N 431.543 4.415 5 20 IIBD COc1cc(-c2nc(-c3cc(Cl)ccc3O[C@H]3CCOC3)no2)cc([N+](=O)[O-])c1OC 546495545 WQMWRUQLADRQEW-ZDUSSCGKSA-N 447.831 4.150 5 20 IIBD CN(CC1(O)CCC1)C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 546825472 UIILBAHOUGMUJT-UHFFFAOYSA-N 437.855 4.236 5 20 IIBD CCOc1ccccc1-c1noc(-c2ccc([N+](=O)[O-])cc2I)n1 546992400 OVDSYVUDLOIMAK-UHFFFAOYSA-N 437.193 4.315 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F 553159474 WXBLACADENTWES-FQEVSTJZSA-N 444.369 4.423 5 20 IIBD COc1cc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc(OC)c1OC 555313779 JXPULRUNPHDQMO-JTQLQIEISA-N 428.363 4.130 5 20 IIBD COCCO[C@H]1CCCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 555341422 DRKQZGZHDOLAHO-QHCPKHFHSA-N 436.512 4.075 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(-c2nc(-c3ccc(OC[C@@H]4CCCO4)c(OC)c3)no2)c1 574317164 LQAGQTXDXUKSPO-INIZCTEOSA-N 441.440 4.277 5 20 IIBD O=C(Cc1noc([C@H](Oc2ccccc2)c2ccccc2)n1)NCc1ccc([N+](=O)[O-])cc1 574556198 LXOHVHXDWVMXSL-HSZRJFAPSA-N 444.447 4.005 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CC(C)(C)[C@@H]2CCC[C@H]21 581904583 RZUCOKUSBXDWAM-UKRRQHHQSA-N 428.270 4.159 5 20 IIBD CCc1cc(=NC(=O)c2cnn(-c3ccccn3)c2C(C)C)c2cc([N+](=O)[O-])ccc2[nH]1 582218734 LBBGKDLURCGSNB-UHFFFAOYSA-N 430.468 4.084 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1 603751981 XXPLYKKIFYMMFQ-UHFFFAOYSA-N 431.495 4.124 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 604031780 LZYLZBBJUYFOGZ-MRXNPFEDSA-N 439.493 4.195 5 20 IIBD CCn1cc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)ccc1=O 604186784 NBNOIXBEBGXUQP-UHFFFAOYSA-N 443.843 4.483 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ncn(Cc3ccccc3)n2)cc1[N+](=O)[O-])c1ccccn1 604310499 RZPOOWXDFOZZKR-MRXNPFEDSA-N 443.467 4.055 5 20 IIBD COc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c2ccc(C)cc2)cc1 604427402 LTKIBMFGTIJGKJ-QFIPXVFZSA-N 433.464 4.065 5 20 IIBD COc1cc(OCC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] 604456618 CKIYUMVMZMFQIK-UWVGGRQHSA-N 444.328 4.008 5 20 IIBD COc1ccc(Br)cc1[C@H]1CCCN1C(=O)NCc1cccc([N+](=O)[O-])c1 608782717 CKYLUOCCEJLNRY-QGZVFWFLSA-N 434.290 4.413 5 20 IIBD Cc1nn(-c2ccc(Br)cc2)c(C)c1CNCCc1ccc([N+](=O)[O-])cc1 609222643 WMWQRJJCYUKOQH-UHFFFAOYSA-N 429.318 4.492 5 20 IIBD Cc1cc(OCc2ccccc2)ccc1NC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 609778458 RFJUXAPRCVUQTC-KRWDZBQOSA-N 433.464 4.298 5 20 IIBD CCCOc1c(Cl)cc(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1OCC 609837901 HPZHHTLPBOBNNF-OAHLLOKOSA-N 448.907 4.157 5 20 IIBD CCOc1ccccc1[C@@H](CC)NC(=O)COc1ccc(Br)cc1[N+](=O)[O-] 610219591 UZNYYTQZPSTJSV-OAHLLOKOSA-N 437.290 4.402 5 20 IIBD O=C(NCCc1ccc(-c2ccccc2)cc1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 610831680 FAVCZRHNOVXKOM-FQEVSTJZSA-N 449.532 4.287 5 20 IIBD CC1(C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H]1c1ccccc1 610956645 ZALQSDPADPONGD-MRXNPFEDSA-N 425.304 4.129 5 20 IIBD O=C(CC1CCCCC1)NC1CCC(C(=O)OCCOc2ccccc2[N+](=O)[O-])CC1 726023945 KXLNCPXGFKHYBA-UHFFFAOYSA-N 432.517 4.162 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C 726519620 WKIIENYYAMQORO-UHFFFAOYSA-N 447.513 4.256 5 20 IIBD Cn1ccc2c(C(=O)N3CCCC[C@@H]3CCOC(=O)c3cccc([N+](=O)[O-])c3)cccc21 726936511 LUIZTZCCRJIQKT-GOSISDBHSA-N 435.480 4.328 5 20 IIBD O=C(COC(=O)/C=C\c1cccc(OC2CCCC2)c1)Nc1cc([N+](=O)[O-])ccc1F 727885018 AJRGSAWVWTVUDU-FLIBITNWSA-N 428.416 4.250 5 20 IIBD O=C(CC1=CCCCC1)NCCN1C(=O)S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 730162496 LZVBHCIMIJIPHJ-GZTJUZNOSA-N 449.916 4.291 5 20 IIBD Cc1ccccc1[C@@H]1CCN(C(=O)c2ccc(I)c([N+](=O)[O-])c2)C1 730494230 YTMONXXMLSBOOM-CQSZACIVSA-N 436.249 4.138 5 20 IIBD O=C(c1cc(Cl)cc(Cl)c1)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 731209454 ZKRKCCZJUUYSSC-UHFFFAOYSA-N 437.308 4.474 5 20 IIBD COCc1c(C(=O)O[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)sc2cccc(F)c12 731507228 BJWCDCZMOVCDKI-INIZCTEOSA-N 444.440 4.057 5 20 IIBD Cc1cccc(C(=O)OCc2cnn(Cc3ccc(Br)cc3)c2)c1[N+](=O)[O-] 731919530 UNISENLCKPFPMY-UHFFFAOYSA-N 430.258 4.268 5 20 IIBD Cc1c(C(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 734776381 UMTJYFVKXKBJLR-PMERELPUSA-N 433.486 4.419 5 20 IIBD O=[N+]([O-])c1ccc(F)cc1CNc1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 742258537 IQAANAZFJKYSBA-UHFFFAOYSA-N 447.513 4.155 5 20 IIBD COc1ccc(OCCOC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)c([N+](=O)[O-])c1 744903035 VMDJIUCHXXSORE-HOTGVXAUSA-N 436.258 4.092 5 20 IIBD CC(C)COc1ccc(C(C)(C)C(=O)O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 744985367 IMISHJNBARJXLT-MRXNPFEDSA-N 428.485 4.478 5 20 IIBD C[C@H](OC(=O)[C@@H]1SCCc2sccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 745637219 PLUBOGSWBIHCFR-BJOHPYRUSA-N 426.903 4.211 5 20 IIBD COc1ccc2cc([C@H](C)OC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)ccc2c1 745982764 FNOVKILGBMMXBL-ZDUSSCGKSA-N 429.450 4.078 5 20 IIBD CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 747809005 SHWZDGOZYXPSPB-VXGBXAGGSA-N 432.399 4.043 5 20 IIBD O=C(COC(=O)Cc1coc2cc(F)ccc12)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 748225870 CNSWMUNJLMQEMC-UHFFFAOYSA-N 440.305 4.223 5 20 IIBD CC(C)(C)OC(=O)NCCCOC1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 749102491 PZUHATFEWSXLDT-UHFFFAOYSA-N 430.505 4.043 5 20 IIBD C[C@@H](OC(=O)c1cccc(Cl)c1[N+](=O)[O-])C(=O)Nc1ccc(OC(F)(F)F)cc1 750535757 QXZWVJHTPUZSIW-SECBINFHSA-N 432.738 4.331 5 20 IIBD O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCCN(c2nc3ccccc3s2)C1 751644874 AVWJEHMBGFINPA-ZDUSSCGKSA-N 438.465 4.306 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCCCC[C@@H]1C[C@H](O)c1ccco1 752097951 CWVHXKJHHGUJAY-KNQAVFIVSA-N 441.528 4.299 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2cccc(OCc3cscn3)c2)cc1[N+](=O)[O-] 753086340 XXTQTXARXZFYEB-UHFFFAOYSA-N 439.902 4.393 5 20 IIBD C[C@@H](C(=O)Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 753394307 DZXFYAUFLGWOKD-OAHLLOKOSA-N 425.462 4.374 5 20 IIBD C[C@@H](C(=O)N(C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1F 754157953 BLLQSCUKVGTXGS-CQSZACIVSA-N 435.496 4.228 5 20 IIBD COc1ccc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1-c1ccccn1 755013222 GZLTZOUTUZCCIG-UHFFFAOYSA-N 441.827 4.114 5 20 IIBD CCN(CC)[C@@H](CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccco1 755024020 DMRZRJCKYNSOTM-HNNXBMFYSA-N 425.283 4.155 5 20 IIBD O=C(CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)NCC1CCS(=O)(=O)CC1 756366748 IHQYXZATCXKXDP-UHFFFAOYSA-N 447.556 4.488 5 20 IIBD Cc1nn(Cc2ccccc2)c(Cl)c1CSCc1ccc(C(N)=O)cc1[N+](=O)[O-] 759169570 OOCYDLUNBSKEHY-UHFFFAOYSA-N 430.917 4.334 5 20 IIBD CCc1nc(N)sc1C(=O)O[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 759794954 VRSRKHHUXDSCSG-KRWDZBQOSA-N 440.481 4.041 5 20 IIBD Cc1cc(F)cc(C(=O)N[C@@H](C)c2nc(-c3ccc(Br)cc3)no2)c1[N+](=O)[O-] 760830980 VWLWIQGLNJUXEL-JTQLQIEISA-N 449.236 4.346 5 20 IIBD COc1cc(COC(=O)c2cnc(-c3cccnc3)s2)c([N+](=O)[O-])cc1OC(F)F 761609377 ABXHEBAZCFRHAL-UHFFFAOYSA-N 437.380 4.080 5 20 IIBD COc1cc([C@H](C)NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)ccc1OCc1ccncc1 763425795 ODJMFGTZQKCJEJ-ZDUSSCGKSA-N 443.406 4.347 5 20 IIBD Cc1cc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)n([C@@H]2CCN(Cc3ccccc3)C2)n1 763522096 MROQENAFHNQUJP-MRXNPFEDSA-N 441.438 4.077 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1nc(-c2ccc(Cl)cc2)no1 763742416 ALWVFQCWRMARNP-NSHDSACASA-N 449.872 4.301 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1cccc(Cl)c1C 763809456 AKCNWMHLHWDBJA-UHFFFAOYSA-N 438.889 4.091 5 20 IIBD Cc1nn(Cc2ccc(-c3nc(-c4c(Cl)nc5ccccn45)no3)cc2)c(C)c1[N+](=O)[O-] 771335236 XTOIFVKETJGALD-UHFFFAOYSA-N 449.858 4.475 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(N2CCO[C@@H](c3ccc(F)cc3Cl)C2)cc1Cl 772212628 CZDHBOKHAAIKNJ-QGZVFWFLSA-N 429.231 4.405 5 20 IIBD CC(C)[C@@H]1C[C@@H](NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 772905531 OGICDPXEWPPLGH-XOBRGWDASA-N 445.903 4.434 5 20 IIBD O=C(O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1cccn(Cc2ccccc2)c1=O 776133986 JGMWUFOMCMKJCS-QHCPKHFHSA-N 441.443 4.146 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 776753334 TZQFLPOISXHSIV-UHFFFAOYSA-N 430.829 4.252 5 20 IIBD CSc1ccccc1CC(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 777168773 JNSBELZRFCGVQU-NSHDSACASA-N 442.415 4.448 5 20 IIBD O=C(Nc1ccc(NC(=O)c2cccs2)cc1)c1cc([N+](=O)[O-])c2nsnc2c1 777800650 PAVMGBBJONLEGN-UHFFFAOYSA-N 425.451 4.166 5 20 IIBD CC(=O)c1cc([N+](=O)[O-])ccc1OS(=O)(=O)Cc1ccc(Cl)cc1Br 778643051 XMICYULLJKJVGA-UHFFFAOYSA-N 448.678 4.122 5 20 IIBD O=C(NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1Sc1ccccc1 781842286 ZRUVKSGICXOMDR-UHFFFAOYSA-N 432.454 4.004 5 20 IIBD CCN(CC)C(=O)C1=C(C)N(c2cccc(F)c2)C(=S)N[C@H]1c1ccc([N+](=O)[O-])s1 782250432 WJDBRWPFUZWYSY-SFHVURJKSA-N 448.545 4.374 5 20 IIBD C[C@H](OC(=O)c1ccccc1-n1ncc(Cl)c(Cl)c1=O)c1ccccc1[N+](=O)[O-] 782564500 FKYCBJDBRJRCRC-NSHDSACASA-N 434.235 4.366 5 20 IIBD O=C(OCc1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1c(F)ccc([N+](=O)[O-])c1F 784053940 IGOXGGSJBIOTTE-UHFFFAOYSA-N 429.166 4.118 5 20 IIBD O=C(COc1cc([N+](=O)[O-])ccc1Br)N(Cc1ccccc1)CC(F)(F)F 786746578 JNKPRLNBXMLIIV-UHFFFAOYSA-N 447.207 4.327 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1=O 789711438 UXMAGOKQORHVLL-JOCHJYFZSA-N 445.475 4.260 5 20 IIBD C[C@@H](OC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](C)c1cc2ccccc2o1 790746451 SZJLOIBWRWDZNA-VXGBXAGGSA-N 448.834 4.485 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(COC(=O)c2nc3cccnc3s2)cc1OC 792381948 PKISRUBXSCEJKS-LBPRGKRZSA-N 431.470 4.390 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@@H](C)[C@@H]3OCCc4sccc43)CC2)ccc1[N+](=O)[O-] 796906006 DCVNVISHJGWJEP-QKKBWIMNSA-N 446.525 4.127 5 20 IIBD CC(=O)c1cc(N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)ccc1[N+](=O)[O-] 804693803 YWPRAEABYSRNSH-VQTJNVASSA-N 425.485 4.295 5 20 IIBD C[C@H]1[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@H](C)CCN1C(=O)OC(C)(C)C 804846444 YCIDPVJNDYWACY-ZMPRRUGASA-N 449.551 4.445 5 20 IIBD Cc1cc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)nn1-c1ccc(F)cc1F 809353584 JEIRNRCJPHGXDX-UHFFFAOYSA-N 437.200 4.382 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccc(C(F)(F)F)nc1Cl 811166223 NKWSZHZSTFAFBT-UHFFFAOYSA-N 439.733 4.250 5 20 IIBD C[C@@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCCCC2=O)cc1 812385704 DXIOGFPCUSDEPG-MRXNPFEDSA-N 447.495 4.003 5 20 IIBD CNC(=O)c1cc(Br)ccc1NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813074713 KBUKMQXDRZUDMZ-UHFFFAOYSA-N 447.072 4.276 5 20 IIBD Nc1ccc(NC(=O)c2ccccc2SCC(=O)N2CCc3ccccc32)cc1[N+](=O)[O-] 819892930 OYSLCKZAEGLUMH-UHFFFAOYSA-N 448.504 4.111 5 20 IIBD CC(=O)Nc1cccc(NC(=O)[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(C)C)c1 877119158 BUAYIXVXCCZLQY-GOSISDBHSA-N 433.848 4.027 5 20 IIBD C[C@H](OC(=O)COc1ccccc1C(F)(F)F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 914981385 SXZRDOGCMMLZNH-JTQLQIEISA-N 446.765 4.216 5 20 IIBD C[C@H](OC(=O)c1cc2c(F)cccc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 915471783 GHGAWSUYDVMOQV-VIFPVBQESA-N 439.321 4.418 5 20 IIBD Cc1c(C(=O)NCc2ccccc2CN2C[C@@H](C)C[C@@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 916086112 SKPDIWKMNVNXBQ-IYBDPMFKSA-N 440.500 4.219 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCNc1ccc(S(=O)(=O)C(F)F)cc1 917013822 WUBHUEREDVDGLC-UHFFFAOYSA-N 439.362 4.134 5 20 IIBD COc1cc(C)c([C@@H](C)NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)cc1OC 917171324 NACRLKJFUDXXPE-GFCCVEGCSA-N 447.538 4.500 5 20 IIBD COC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 917938437 NCDOVOAQWALJQE-SNVBAGLBSA-N 426.351 4.231 5 20 IIBD COc1ccc(-c2nc(CC(=O)OCc3cc(F)ccc3[N+](=O)[O-])cs2)cc1OC 918951698 XSGFOAHFFRPHTE-UHFFFAOYSA-N 432.429 4.161 5 20 IIBD O=C(CCCc1c[nH]c2ccccc12)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 920147436 BVTRSBNEBRIHRS-UHFFFAOYSA-N 429.860 4.025 5 20 IIBD O=C(COc1cc(Cl)ccc1[N+](=O)[O-])N1CCC[C@H]1c1ccc2c(c1)OCCCO2 920993182 VFGSUQFDXQMQJJ-INIZCTEOSA-N 432.860 4.152 5 20 IIBD O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 1116249636 DMAHHXMJZTVELC-UHFFFAOYSA-N 432.933 4.392 5 20 IIBD C[C@@](O)(CSc1cccc(F)c1)C(=O)OCc1ccc([N+](=O)[O-])cc1Br 1257545103 LAVLUSDOOKZPCA-QGZVFWFLSA-N 444.278 4.083 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(F)c(NC(=O)OC(C)(C)C)c1 1318416017 ZMYJRESDUXPRGZ-UHFFFAOYSA-N 425.438 4.190 5 20 IIBD CC(C)(C)N1CCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 1319518037 HPXVENQBMMVADC-UHFFFAOYSA-N 444.919 4.057 5 20 IIBD CN(Cc1cccc(NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1)C(=O)C(F)(F)F 1320269637 VSCBPRUSGFJBSO-UHFFFAOYSA-N 434.374 4.383 5 20 IIBD C[C@H]1CN(C(=O)Cn2cc(NC(=O)c3c4ccccc4cc4ccccc34)cn2)C[C@@H](C)O1 1323427505 JLDCNVXUMSJTDL-HDICACEKSA-N 442.519 4.078 5 20 IIBD CC(=O)Nc1ccc(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)nc1 1325284613 ZIYMDBBQRWPCCK-UHFFFAOYSA-N 439.859 4.466 5 20 IIBD CC(C)CC(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c4c3OCO4)cc2)CCC1 1790094819 JIIOJECYCWLJKH-UHFFFAOYSA-N 439.468 4.117 5 20 IIBD CCc1ncsc1C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1 1790187220 HNCFAVHIUSZOJN-UHFFFAOYSA-N 439.497 4.003 5 20 IIBD Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)C4=COCCC4)cc3)CCC2)cc1[N+](=O)[O-] 1791638191 BHGADYRXVWRCLC-UHFFFAOYSA-N 449.507 4.274 5 20 IIBD Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])cc1 1793078982 JNTIZDXQSJDUBV-ACDBMABISA-N 441.915 4.051 5 20 IIBD COc1cc(CCNC(=O)CSc2cc(Cl)ccc2Cl)c([N+](=O)[O-])cc1OC 11081202 NKVCVRLTZWIHSA-UHFFFAOYSA-N 445.324 4.370 5 20 IIBD O=C(COC(=O)c1cccc(OC(F)F)c1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 11463906 NOWRDONNQDCQEL-UHFFFAOYSA-N 434.273 4.011 5 20 IIBD CCOc1cc(/C=C2\CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)ccc1OC(F)F 16387087 LFCHQMYENZTYQP-UKTHLTGXSA-N 429.379 4.249 5 20 IIBD CCCn1c(SCc2ccc(C(N)=O)cc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 16802920 RIZXPAISQHDOOI-UHFFFAOYSA-N 431.905 4.308 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NC3CCN(C(C)C)CC3)c([N+](=O)[O-])c2)c(C)c1 17281380 XIASWQIHBXLMEP-UHFFFAOYSA-N 446.573 4.297 5 20 IIBD C[C@H](OC(=O)CCc1ncc(-c2ccccc2F)o1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 21803607 CILJBGFGIKZJKD-LBPRGKRZSA-N 445.378 4.031 5 20 IIBD CCC(CC)(CNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1 72071202 CDCKRCSLJNXLFR-UHFFFAOYSA-N 449.960 4.313 5 20 IIBD COc1ccc(CSCC(=O)N2CCn3cccc3[C@H]2c2ccccc2)cc1[N+](=O)[O-] 105983695 FJEXDGJOXYYCME-HSZRJFAPSA-N 437.521 4.270 5 20 IIBD Cc1nc(-c2cccc(NC(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)n[nH]1 108059367 JQGAABWZGJOGBP-UHFFFAOYSA-N 434.378 4.148 5 20 IIBD COc1ccc2[nH]cc(C3CCN(C(=O)c4cc(OC)c(OC)cc4[N+](=O)[O-])CC3)c2c1 108868327 OHWBUXNUNKSYIX-UHFFFAOYSA-N 439.468 4.122 5 20 IIBD Cc1nc(Sc2nnc(-c3c[nH]c4ccccc34)n2C[C@@H]2CCCO2)ccc1[N+](=O)[O-] 301614922 BDBXJAAVJFNVRM-AWEZNQCLSA-N 436.497 4.368 5 20 IIBD Cc1nnc(Sc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])n1[C@@H]1CCC[C@H](C)C1 301849900 WILMXUFOLATGCQ-CMPLNLGQSA-N 446.501 4.393 5 20 IIBD CCOc1ccc(-c2nc(Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)cs2)cc1OC 303136178 JNTUUOXVXDTPGS-UHFFFAOYSA-N 437.481 4.432 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2F)cc1[N+](=O)[O-] 303431286 WXLGHLDVCHKDEU-GOSISDBHSA-N 431.489 4.185 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](c1c(C)nn(-c2ccccc2)c1C)C(F)(F)F 427398067 JHYOKYJSJHUJPP-IBGZPJMESA-N 448.401 4.439 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 428931554 HZFDJVRHFPNUGL-KSSFIOAISA-N 437.418 4.323 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O 429174415 YOMMAIONXZKPQT-LADGPHEKSA-N 443.519 4.428 5 20 IIBD COc1cc(CN2CCOC[C@H](C3CCC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 430133289 YPKTUTBZHBGCSO-OAQYLSRUSA-N 426.513 4.431 5 20 IIBD CN(C)CCn1ccc2ccc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])cc21 430605084 PPLYMZANNXAWHY-UHFFFAOYSA-N 431.290 4.126 5 20 IIBD O=C(NC[C@H]1CCCN(Cc2cccs2)C1)c1ccc(Br)cc1[N+](=O)[O-] 431033120 GUPPTYMWMONYSS-CYBMUJFWSA-N 438.347 4.061 5 20 IIBD C[C@H](NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1noc(-c2ccc(Cl)cc2)n1 431516994 HFXICOQUQXNUAD-JTQLQIEISA-N 439.815 4.043 5 20 IIBD CC(C)OC[C@H](CO)N(C)C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 432616633 MFVSPLPTIKQVOU-HNNXBMFYSA-N 438.933 4.257 5 20 IIBD CN(CCCCCO)C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 434130221 BOMQXZDTMQKIDF-UHFFFAOYSA-N 439.871 4.484 5 20 IIBD O=C(Nc1cccc(Cl)c1)N1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 434839874 QVTAMOBTDSOPEZ-UHFFFAOYSA-N 429.864 4.129 5 20 IIBD Cc1nc(-c2cccc(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)c2)n[nH]1 436077125 SKOSSLTWADFIPP-UHFFFAOYSA-N 431.402 4.305 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1O)N(CCCn1ccnc1)Cc1c(F)cccc1Cl 436969980 BKTWAKLHWVPQNW-UHFFFAOYSA-N 432.839 4.022 5 20 IIBD Cc1ccc(-n2cnnc2SCC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1C 437102105 VTDWWEXDDCXXGB-UHFFFAOYSA-N 437.525 4.076 5 20 IIBD O=C(N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)c1cc([N+](=O)[O-])ccc1SCCO 437454230 ZANKTFLOHKRCTF-CTYIDZIISA-N 440.443 4.374 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)Nc2ccc3scnc3c2)cc1[N+](=O)[O-] 438777387 VGKWMOKVYAWEOZ-UHFFFAOYSA-N 428.289 4.076 5 20 IIBD Cc1c(CC(=O)Nc2ccc(Cl)cc2I)cccc1[N+](=O)[O-] 438980176 ZXIQMEKOBZPPLZ-UHFFFAOYSA-N 430.629 4.342 5 20 IIBD CC(C)Oc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 439154894 OZHXBDANBSTFEF-UHFFFAOYSA-N 449.529 4.008 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(OCc2ccccc2C)c1 439830921 OLMCPHIQKVMCRO-UHFFFAOYSA-N 449.463 4.458 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C 439908006 ZBYJPLDNKGRWBT-JTQLQIEISA-N 429.399 4.252 5 20 IIBD O=C(NCCCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccc(F)cc1 440609004 FYSILDXIPVVZHL-UHFFFAOYSA-N 435.455 4.477 5 20 IIBD O=C1[C@H](Nc2cccc(C[S@](=O)c3ccccc3)c2)CCN1c1cccc([N+](=O)[O-])c1 442118600 FWUYKUVRFORMAI-UVDDSOTQSA-N 435.505 4.120 5 20 IIBD C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)Oc1cccc(F)c1 444092880 GVWWSAYFNURUSD-GFCCVEGCSA-N 426.394 4.296 5 20 IIBD C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(OCc2ccccc2)c1 444734083 RQXUHEYDFGUVKI-GOSISDBHSA-N 440.521 4.298 5 20 IIBD Cc1ccc(-c2nc(CNC(=O)Cc3ccc([N+](=O)[O-])cc3Br)co2)cc1 446112877 JSNYGNJSAJMQBS-UHFFFAOYSA-N 430.258 4.180 5 20 IIBD Cc1ccc(C(=O)N[C@@H](CC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c2ccccc2)cc1 446431209 KPSLNCZEJDKYFV-DEOSSOPVSA-N 443.503 4.349 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 446900798 RMYGVQFNLKZQIX-KRWDZBQOSA-N 439.863 4.048 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 447633040 SQGLWBOBRNLYSM-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD CN(CC(=O)Nc1ccc(Sc2nncs2)c(Cl)c1)c1ccccc1[N+](=O)[O-] 463480273 FTDKEBFEHXAYIB-UHFFFAOYSA-N 435.918 4.326 5 20 IIBD O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 463683805 MYBQUTPGHDYFIV-UHFFFAOYSA-N 433.468 4.221 5 20 IIBD COc1cc(C(=O)NCc2cc(C)ccc2OC(F)F)c([N+](=O)[O-])cc1OC(F)F 465009840 GIVXWEIBVSYSIA-UHFFFAOYSA-N 432.326 4.045 5 20 IIBD CC(C)COc1ccc(C(C)(C)CNC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 465139919 VRZRMVVUHCYOLM-UHFFFAOYSA-N 442.512 4.037 5 20 IIBD Cc1c(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)cccc1[N+](=O)[O-] 465304432 FLSHVCWGOBZYAL-UHFFFAOYSA-N 448.209 4.066 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)N[C@H]1CCSC1 465972248 JEEYYFBFDDIKEA-LBPRGKRZSA-N 425.869 4.484 5 20 IIBD CCOc1ccc(C2(CNC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)CCOCC2)cc1 466567276 PQTLGDDLAOVKJZ-UHFFFAOYSA-N 447.919 4.195 5 20 IIBD O=C(N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 466838021 NHYYYTXUXARWGH-HDJSIYSDSA-N 438.315 4.391 5 20 IIBD O=C(C[C@H]1CCCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccco1 467303085 SERIHSMMAZHPPX-CYBMUJFWSA-N 426.878 4.048 5 20 IIBD O=C(NCC1(c2ccccc2)CCCCCC1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 469032078 ROCFLVPQCQYMQF-UHFFFAOYSA-N 449.507 4.270 5 20 IIBD CC(C)Nc1ccc(Br)cc1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 470110532 GXCKFLDLVFUWOP-UHFFFAOYSA-N 445.277 4.011 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[C@@]4(C3)OCc3ccccc34)cc2[N+](=O)[O-])C1 471607606 WDECPZMRFYIMTE-GAKIBJFNSA-N 435.524 4.349 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2nc(-c3ccc(Br)cc3)no2)c1 472669017 UZVHQKMNHIUEPA-LLVKDONJSA-N 431.246 4.207 5 20 IIBD CCCCN1CCc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)cc21 472672673 RTVBZIPIPAXCFS-KRWDZBQOSA-N 442.541 4.062 5 20 IIBD CCOc1ccc(N2C(=O)c3ccc(C(=O)Nc4cc(F)cc([N+](=O)[O-])c4)cc3C2=O)cc1 473334872 QUKYQZHYDJTZSF-UHFFFAOYSA-N 449.394 4.186 5 20 IIBD CN(C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[C@H](CC(N)=O)c1ccccc1 478220974 CGCUMIORLGFUKB-OAQYLSRUSA-N 435.505 4.435 5 20 IIBD COC(=O)c1cnc(NC[C@H](c2ccccc2)N2CCc3sccc3C2)c([N+](=O)[O-])c1 478293335 QPHFBZRHHPBVHF-LJQANCHMSA-N 438.509 4.049 5 20 IIBD O=C(N[C@H]1[C@@H]2c3ccccc3C[C@H]21)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 478552885 NTFSYIKRTSHUCH-DUXKGJEZSA-N 445.441 4.285 5 20 IIBD CCn1c(S[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)nnc1-c1ccc([N+](=O)[O-])cc1 481363373 JWRWQRCFVQOPCU-LSDHHAIUSA-N 437.525 4.332 5 20 IIBD CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(OC)cc1 481685782 QHPKLVQKDQZXJE-RBBKRZOGSA-N 425.485 4.322 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N(Cc2ccc(F)cc2)C(C)(C)C)cc1OC 484337444 BXPFXWIUWREXMZ-UHFFFAOYSA-N 434.464 4.209 5 20 IIBD Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)C2)cc1 486231754 ADVFMEJVDYLLIX-MRXNPFEDSA-N 435.484 4.058 5 20 IIBD O=C(N[C@@H]1CSc2ccc(Br)cc21)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 487690782 NDRVHNYCMNJIPV-MRXNPFEDSA-N 445.298 4.120 5 20 IIBD CCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H](C)c1cccc(C(F)(F)F)c1 488080340 APDFCRRYBMHEHW-LBPRGKRZSA-N 439.390 4.170 5 20 IIBD CC[C@@H](Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC)C(=O)NCc1ccccc1 489451468 YZIZSWTVSPFRQO-GOSISDBHSA-N 425.514 4.060 5 20 IIBD Cc1cccn(Cc2c(F)cccc2NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c1=O 494789967 GQQZEWGSXMIDBX-UHFFFAOYSA-N 438.459 4.083 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CCc3ccsc3)cc2)cc1[N+](=O)[O-] 497139554 CGORPVYQTMBLOF-UHFFFAOYSA-N 445.522 4.337 5 20 IIBD O=C(COc1ccc(Oc2ccccn2)cc1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 498149463 KZGOCXKPYOQMCO-QFIPXVFZSA-N 437.477 4.435 5 20 IIBD O=C(c1cn(-c2ccccc2C(F)(F)F)nn1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 498151863 FDFUONQBJDFRKH-GOSISDBHSA-N 449.414 4.082 5 20 IIBD C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 498450797 FQCOLQGKXINONS-KRWDZBQOSA-N 428.488 4.021 5 20 IIBD C[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccc(NC(=O)c2ccncc2)cc1 505953442 NKZXCEKZABQQFM-AWEZNQCLSA-N 429.436 4.214 5 20 IIBD COc1cc(C(=O)Nc2ccc3c(c2)CCCO3)c([N+](=O)[O-])cc1OCc1cscn1 506044095 NEDUYFTYCJPNNU-UHFFFAOYSA-N 441.465 4.216 5 20 IIBD C[C@H](NC(=O)c1ccccc1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 506078084 FJRLUOZVTFXRJQ-KRWDZBQOSA-N 444.491 4.087 5 20 IIBD O=C(NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)c1ccc([N+](=O)[O-])c(O)c1 508504300 RDNIEFQJQADXIB-UHFFFAOYSA-N 428.448 4.142 5 20 IIBD C[C@@H]1C[C@H](CCNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 510114321 USSADHNEMYAETM-QUCCMNQESA-N 447.539 4.026 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(I)cc1Cl 512523080 CYVLBNVNGMLKHL-UHFFFAOYSA-N 445.644 4.294 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O 513598366 RVUOXXOHFVUDJX-CECAUBDESA-N 441.503 4.171 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)Nc1ccc2scnc2c1)c1ccccc1[N+](=O)[O-] 513968357 BNVHHFHPDXCOHV-OAHLLOKOSA-N 428.470 4.409 5 20 IIBD COc1cc(C(=O)Nc2ccnn2CCC(C)C)c([N+](=O)[O-])cc1OCc1cscn1 516700135 OITGPUKYLDUJEI-UHFFFAOYSA-N 445.501 4.134 5 20 IIBD CN1C(=O)C[C@H](c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)[C@H]1c1ccc(Cl)c(Cl)c1 517055882 QIKUUKNSYBAUNF-APPDUMDISA-N 448.266 4.221 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OC)c(NC(=O)c3cccc(F)c3)c2)c1 517869189 VNKLWCXAJHWTJH-UHFFFAOYSA-N 439.399 4.256 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)c([N+](=O)[O-])c1 518013248 FSUCQUFKOUKYFX-CJNGLKHVSA-N 449.891 4.254 5 20 IIBD COc1cc(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)ccc1[N+](=O)[O-] 518920309 RBXUYRDQGQYGOW-UHFFFAOYSA-N 435.259 4.137 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(OCc2cn3ccccc3n2)cc1 520679566 JQJCMJPOUUYTDZ-UHFFFAOYSA-N 431.452 4.262 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 522372473 HNPKHEATDTTWSQ-AWEZNQCLSA-N 431.489 4.092 5 20 IIBD O=C(NCc1ccc(COCC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1Br 523496473 ZEBMVAZOFNVUQS-UHFFFAOYSA-N 447.207 4.366 5 20 IIBD C[C@@H](Oc1ccc(C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)cn1)c1ccccc1 524155185 VLKITFMFEZUOGN-CQSZACIVSA-N 430.424 4.167 5 20 IIBD O=C(NC1CCC(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)CC1)C1CCCC1 525082426 GBGUKZSPUBXNOJ-QRFVXNFXSA-N 431.558 4.034 5 20 IIBD CCCOc1cc(NC(=O)C(=O)Nc2cccc(C)c2C)c([N+](=O)[O-])cc1OCCC 527343245 HVDVGLAYYHLQSC-UHFFFAOYSA-N 429.473 4.366 5 20 IIBD CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 532927076 HZDBRDLWEWNBEH-SJLPKXTDSA-N 435.267 4.042 5 20 IIBD COc1cc(CNc2cccc(-n3cnnn3)c2C)ccc1OCc1ccc([N+](=O)[O-])cc1 533219346 UDXGXIGIDGAFFN-UHFFFAOYSA-N 446.467 4.079 5 20 IIBD C[C@@H](CS(C)(=O)=O)N(Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C1CC1 536674316 LZJXYFKBRQFMFZ-AWEZNQCLSA-N 438.933 4.438 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCc2cccc(-c3ncc[nH]3)c2)cc1[N+](=O)[O-])c1ccccn1 537549719 CANNCSZATOYQFT-INIZCTEOSA-N 442.479 4.483 5 20 IIBD Cc1nc(-c2ccc(S(=O)(=O)n3cc(-c4cccc([N+](=O)[O-])c4)cn3)s2)cs1 538666782 CRXAPBBYVGKDSW-UHFFFAOYSA-N 432.508 4.189 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCC[C@H]2CCO[C@H](C)C2)cc1[N+](=O)[O-] 541343259 BOEQKBQAKFRDBR-CVEARBPZSA-N 442.537 4.483 5 20 IIBD COc1ccccc1-c1noc([C@@H](C)NCCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)n1 541692884 ZWHAKQCFWYRSGD-CQSZACIVSA-N 435.440 4.202 5 20 IIBD CC(C)(C)Oc1c(F)cc(NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1F 542069159 AQGUNKYCBDKGFE-UHFFFAOYSA-N 441.818 4.072 5 20 IIBD O=C(N[C@H]1CCN(c2ncccc2F)C1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 542552794 RUAWGQQJYOPCQE-INIZCTEOSA-N 444.532 4.420 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 543341327 OOKKPKJBZQRIAO-UHFFFAOYSA-N 446.916 4.422 5 20 IIBD O=C(COc1c(Br)cccc1[N+](=O)[O-])Cc1ccccc1Br 544076307 XNMILXCVNUWDSQ-UHFFFAOYSA-N 429.064 4.310 5 20 IIBD CCN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCN(Cc2ccccc2)C1 544849391 NPFNHSFMLCYSKC-HXUWFJFHSA-N 436.537 4.455 5 20 IIBD CC(C)(C(=O)N1CC=C(c2ccc3c(c2)OCCO3)CC1)c1ccc([N+](=O)[O-])cc1F 545113352 WXHCKSULVIZMDC-UHFFFAOYSA-N 426.444 4.099 5 20 IIBD COCC[C@@H](Cc1cccc(Br)c1)c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 545551317 WZKLHOATPUJBEQ-AWEZNQCLSA-N 447.289 4.352 5 20 IIBD Nc1ccc(-c2noc(-c3n[nH]c(-c4ccccc4)c3Br)n2)cc1[N+](=O)[O-] 545553362 MCZSDLBLFIUSEM-UHFFFAOYSA-N 427.218 4.047 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1OCCc1nc(-c2cccnc2N2CCCCC2)no1 545617340 HIJHNDLXQKVVOU-UHFFFAOYSA-N 429.864 4.305 5 20 IIBD COc1ccc(Cl)cc1N1C[C@H](c2nc(-c3ccc([N+](=O)[O-])cc3C)no2)CC1=O 546397849 VOAIFAANXYCTNM-GFCCVEGCSA-N 428.832 4.136 5 20 IIBD Cc1cccc(N2C[C@H](c3nc(Cc4c[nH]c5ccc([N+](=O)[O-])cc45)no3)CC2=O)c1C 546557970 REKLEACIRYDFPV-MRXNPFEDSA-N 431.452 4.187 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCO[C@H](c2ccc(F)cc2F)C1 548314337 BNOJRZWYZZJMQX-SFHVURJKSA-N 431.420 4.210 5 20 IIBD C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](c1cncc(Br)c1)C1CC1 551812847 OBKUWFFGRLUDLB-HXPMCKFVSA-N 433.306 4.210 5 20 IIBD O=C(NCc1nc2ccccc2o1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 552428711 INXFQDWRONIHNP-UHFFFAOYSA-N 448.401 4.288 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H](OCc2ccccc2F)C1 555022595 ZTGJZPCRPYZHIN-IBGZPJMESA-N 425.464 4.198 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)N2CCC(C)(C)CC2)cc([N+](=O)[O-])c1C 555503101 USGIQGHYMXBMNM-UHFFFAOYSA-N 445.541 4.275 5 20 IIBD Cc1ccc(-c2nc(O)n[nH]2)cc1NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 555538272 VIDZOYBCZYLOLT-UHFFFAOYSA-N 430.424 4.390 5 20 IIBD COc1ccccc1Cc1nnc(S[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)o1 555922349 VEQWOVWLFRYWNN-LBPRGKRZSA-N 439.453 4.481 5 20 IIBD Cc1ccc(CN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C(C)C)s1 560210727 AAQKPPZOMRGWSM-UHFFFAOYSA-N 440.319 4.103 5 20 IIBD O=[N+]([O-])c1cc2c(c(CN3CC[C@@H](Cc4ccc(Br)cc4)C3)c1)OCOC2 560568876 MTDQWJZMZMNAMM-HNNXBMFYSA-N 433.302 4.288 5 20 IIBD COc1cc(CN2CCn3c(C4CCCC4)nnc3[C@H]2C)c([N+](=O)[O-])cc1OC(F)F 563906287 MMPVCLACLDWDKX-GFCCVEGCSA-N 437.447 4.031 5 20 IIBD CCC[C@@H](NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(F)cc1F 566340074 GARSNXBXRIMOGT-HXUWFJFHSA-N 431.439 4.022 5 20 IIBD CSc1ccc([C@@H](CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)N(C)C)cc1 571239989 JNPAGSWTFJRWJT-HSZRJFAPSA-N 431.561 4.436 5 20 IIBD O=C(CCC(F)(F)F)N1CCC[C@@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 572535991 CDHSECICVHVGTN-OAHLLOKOSA-N 425.407 4.278 5 20 IIBD Cc1cc(C)c(S(=O)(=O)N2CCCC[C@H]2c2nc3ccccc3n2C)cc1[N+](=O)[O-] 574462054 IRDFZFJCMFVATE-SFHVURJKSA-N 428.514 4.014 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCCc2c(OC(F)F)cccc21 577293124 NRJVUMGQGBWNAW-UHFFFAOYSA-N 431.439 4.392 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNCCCS(=O)(=O)c3ccc(Cl)cc3)o2)cc1 579979690 QTZODYWTMDGNPK-UHFFFAOYSA-N 434.901 4.462 5 20 IIBD Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c1C 584695669 XZRXGEOQEIKJAE-UHFFFAOYSA-N 428.832 4.074 5 20 IIBD O=c1c2cc([N+](=O)[O-])ccc2ncn1C[C@@H]1CCCO[C@H]1c1ccc(C(F)(F)F)cc1 590597115 HGAQIJFKUCGSBC-LIRRHRJNSA-N 433.386 4.491 5 20 IIBD C[C@H](NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 602259914 DHAHTONNWXVMCP-AYMQEEERSA-N 449.554 4.012 5 20 IIBD COc1ccccc1CN(C)C(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 603445504 LJUILKXQSBZABI-UHFFFAOYSA-N 447.491 4.173 5 20 IIBD CCC(CC)C(=O)N1CCN(C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)CC1 603524134 NMVZKEMNPAJTBP-UHFFFAOYSA-N 435.590 4.454 5 20 IIBD COc1cccc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 603682773 WFRSOFCMKWGXGE-XMMPIXPASA-N 446.507 4.105 5 20 IIBD Cc1nc2cc(C(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)ccc2n1-c1ccccc1 603761004 JXQHGWOWTHYDFM-UHFFFAOYSA-N 441.491 4.205 5 20 IIBD COc1cc(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)ccc1OCC(F)(F)F 603864455 GGBDDUQFOGXOKQ-UHFFFAOYSA-N 425.363 4.041 5 20 IIBD Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 603970338 XTGRYIOFSZAZKG-UHFFFAOYSA-N 447.495 4.404 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1 608874280 AUDNZZWOILDNBG-UHFFFAOYSA-N 440.843 4.303 5 20 IIBD CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H](c1cccnc1)c1ccc(F)c(F)c1 609151598 GVUODGPXDNEUCS-JOCHJYFZSA-N 427.407 4.285 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 609705835 MWKNAHNNVPCSEJ-LJAQVGFWSA-N 444.534 4.153 5 20 IIBD CC(C)Oc1c(Cl)cccc1NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 609821350 ODLHURPXNDRVHZ-UHFFFAOYSA-N 426.256 4.057 5 20 IIBD Cc1cccc(C(=O)Nc2ccc(Oc3cccc(S(C)(=O)=O)c3)cc2)c1[N+](=O)[O-] 609981209 HIAKMOHDFABJGP-UHFFFAOYSA-N 426.450 4.351 5 20 IIBD Cc1ccc(NCCCNC(=O)c2cccc(CSc3nccn3C)c2)c([N+](=O)[O-])c1 610070147 WUYZHURAJQAIBB-UHFFFAOYSA-N 439.541 4.161 5 20 IIBD CCCS(=O)(=O)Nc1cccc(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1C 610095416 RYZKIGYDVWEVNH-UHFFFAOYSA-N 448.545 4.199 5 20 IIBD COc1cc(C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)cc([N+](=O)[O-])c1OC 610173154 OXHUIUXKLUQJQL-UHFFFAOYSA-N 447.447 4.067 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3nc(C)c(C)s3)cc2)cc1[N+](=O)[O-] 618343560 XDQWWIQGKXYGSK-UHFFFAOYSA-N 446.510 4.030 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@@H]1c1cccnc1 619567339 UFMBYZYXNZWMAG-PKTZIBPZSA-N 439.475 4.057 5 20 IIBD CO[C@]1(C(F)(F)F)CCCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 682022312 XEWKOVSBGAMTEE-HXUWFJFHSA-N 440.368 4.143 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)Nc1ccccc1Cl 725986264 VEWRUKNZDQHYRY-VIFPVBQESA-N 427.638 4.195 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N1CCC[C@@H](C2OCCO2)C1 728055327 OTRJZSKEUVHUIR-UZLBHIALSA-N 445.903 4.013 5 20 IIBD O=C(Cc1ccc(Cl)c(Cl)c1)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730705457 YWYOSOHZEYUFNL-CQSZACIVSA-N 437.279 4.292 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC([C@H](O)c2ccc(Cl)cc2)CC1 731481930 HRYJOMQPKHAYFK-JOCHJYFZSA-N 447.919 4.031 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)cc1SC 732295917 JXQWWFQTRZLXPX-AWEZNQCLSA-N 431.297 4.096 5 20 IIBD COc1ccc(COC(=O)c2cc([N+](=O)[O-])ccc2Br)c(OC(F)F)c1 734325740 WQZIXGUCDHCNAA-UHFFFAOYSA-N 432.173 4.324 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])OCc1c(F)c(F)c(F)c(F)c1F 735148521 NBMVROXXYYKCDE-UHFFFAOYSA-N 425.693 4.456 5 20 IIBD CCCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 735438339 GQFXHYHOWAANGK-MRXNPFEDSA-N 425.913 4.039 5 20 IIBD CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 735445428 HQNGPXGTGFARJF-KRWDZBQOSA-N 431.445 4.083 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(C(=S)Nc3ccc(OC(F)F)c(Cl)c3)CC2)cc1 735621629 NHWUKKQTJWWACV-UHFFFAOYSA-N 442.875 4.369 5 20 IIBD COCC[C@@H](Cc1cccc(Br)c1)C(=O)Oc1ccc(OC)cc1[N+](=O)[O-] 741173973 WSJNTOLJJIKSMV-AWEZNQCLSA-N 438.274 4.167 5 20 IIBD CC(C)CNC(=O)N1CCC[C@H](C(=O)Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])C1 741438539 OZJZALHSXUICTC-IBGZPJMESA-N 425.485 4.245 5 20 IIBD CCOC(=O)c1oc2ccccc2c1CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O 742400270 RKIPEQGZHLQOKQ-UHFFFAOYSA-N 425.397 4.086 5 20 IIBD Cc1ccc(-n2c(SCc3cc(Cl)ccc3[N+](=O)[O-])nnc2N2CCOCC2)cc1 746389815 YKYHHELPXVNBNB-UHFFFAOYSA-N 445.932 4.266 5 20 IIBD CC(C)=CC(=O)Nc1scc(-c2ccccc2)c1C(=O)OCCn1cc([N+](=O)[O-])cn1 748101707 JRAYRJBEZPOZNU-UHFFFAOYSA-N 440.481 4.282 5 20 IIBD Cc1c(C(=O)OCc2cccc(C(=O)N3CCCCC3)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748942528 DWVBRDXXLXWJPH-UHFFFAOYSA-N 441.440 4.103 5 20 IIBD CN(C)[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1cccs1 749411468 YEFIFWGKIWPLRO-LBPRGKRZSA-N 432.727 4.105 5 20 IIBD C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)c2ccccc2N(Cc2ccccc2)C1=O 750110253 ZVXMAHIWPFHUHK-HOYKHHGWSA-N 431.492 4.318 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)ccc1Cl 754968129 UWZDXKBOXHTPTC-UHFFFAOYSA-N 431.601 4.189 5 20 IIBD O=C(NCc1c(F)cccc1OC(F)F)c1cc(F)cc([N+](=O)[O-])c1Br 755020927 KQKDWRHXUVVJHY-UHFFFAOYSA-N 437.143 4.167 5 20 IIBD O=C(NC[C@H](O)c1cccc(OCc2ccccc2)c1)Nc1ccc([N+](=O)[O-])cc1F 758361549 KQTXVNPASLKQCL-NRFANRHFSA-N 425.416 4.168 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)c1nc(Cl)ccc1F)c1cccc([N+](=O)[O-])c1 758515712 LXJAWNUNMVQUTK-AWEZNQCLSA-N 435.839 4.024 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1ccc(Cl)cc1Cl 763746236 FOFNMQKTYARNFA-UHFFFAOYSA-N 430.265 4.026 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1cc(=O)oc2cc(C)ccc12 763809586 FNPAJMXUYNQYJN-UHFFFAOYSA-N 429.450 4.105 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 764208813 CMQLVJOWJVZHFC-UHFFFAOYSA-N 431.470 4.347 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-n2nccn2)cc1C(F)(F)F 764997975 MNXCDWGJZYYRML-CQSZACIVSA-N 433.390 4.402 5 20 IIBD Cc1nnc(S)n1-c1cccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 765354380 LSVPKFXZXSOZGU-UHFFFAOYSA-N 438.494 4.148 5 20 IIBD CC(C)c1nnc(CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)o1 768512216 OZWUGWCGBPPTQV-UHFFFAOYSA-N 436.877 4.150 5 20 IIBD Cc1sc(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)nc1-c1ccc(Cl)cc1 768815103 ULQNJGLBIOXARU-UHFFFAOYSA-N 429.932 4.220 5 20 IIBD CS(=O)(=O)CCOc1cccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c1 770549058 DNBJCVHLCWMLDA-UHFFFAOYSA-N 432.523 4.359 5 20 IIBD O=C(Nc1ccccc1C(=O)Nc1cccc2nonc12)c1ccc([N+](=O)[O-])cc1Cl 773382888 RREQVDWZSGTUQO-UHFFFAOYSA-N 437.799 4.289 5 20 IIBD O=C(O[C@@H]1CCN(c2ccccc2Cl)C1=O)c1sc(Br)cc1[N+](=O)[O-] 773601640 CFYPFVUGILAYSK-LLVKDONJSA-N 445.678 4.035 5 20 IIBD CSc1ccccc1NC(=O)[C@@H](C)OC(=O)c1sc(Br)cc1[N+](=O)[O-] 773605000 XGHONEUACDPMNK-MRVPVSSYSA-N 445.316 4.325 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2sc(Br)cc2[N+](=O)[O-])c(F)c1 773605979 NXDXWOCUQINOJK-MRVPVSSYSA-N 431.239 4.050 5 20 IIBD Cc1csc(CCC(=O)O[C@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])n1 774204463 ZXKTXIKNLSACNW-MRXNPFEDSA-N 427.320 4.486 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCc2ncc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2C1 777235976 ODYPQVZRTPIVNT-ZDUSSCGKSA-N 446.891 4.278 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc2ccccc2c1 778888545 VYRNYKCWCRITPN-CYBMUJFWSA-N 444.390 4.384 5 20 IIBD O=C(Oc1ccccc1)N1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 780547343 FOFWXPIAAYAKLM-UHFFFAOYSA-N 441.487 4.028 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)N(CCNC(=O)OC(C)(C)C)Cc1ccccc1 782837527 MCCAQPGRUAFKNY-UHFFFAOYSA-N 428.489 4.462 5 20 IIBD C[C@@H]1C[C@H](C(=O)Oc2ccc(Cl)cc2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CO1 784124226 ZJCIDSVDLLANKL-MNOVXSKESA-N 439.251 4.484 5 20 IIBD Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2c2c(C)nn(CC(C)C)c2Cl)cc1[N+](=O)[O-] 785251692 IHTNOBPFSYIWQK-INIZCTEOSA-N 447.923 4.020 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)OCc1nc(O)c2ccc(C(F)(F)F)cc2n1 785951787 AKWHQOTUWOBTIP-UHFFFAOYSA-N 441.749 4.202 5 20 IIBD COCC1(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCN(C(=O)OC(C)(C)C)CC1 793576867 QLHXAUQIFNZHHZ-HXUWFJFHSA-N 433.549 4.226 5 20 IIBD CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCC(n2c(C)nc3ccccc32)CC1 795240806 HZLLZWAQRUPLPC-UHFFFAOYSA-N 426.448 4.410 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(N(C)Cc2ccccc2)cc1 795613213 XKSUBIGMUFNNFK-UHFFFAOYSA-N 427.482 4.041 5 20 IIBD CC(C)(C)OC(=O)NCCc1nc(C(=O)OCc2ccc([N+](=O)[O-])cc2Cl)cs1 795899110 KBHXGLPAZFMFAS-UHFFFAOYSA-N 441.893 4.129 5 20 IIBD CCCc1[nH]nc(C(=O)OCc2cc(-c3c(OC)ccc4ccccc34)no2)c1[N+](=O)[O-] 796258888 FCLTVJKQFUWYEU-UHFFFAOYSA-N 436.424 4.444 5 20 IIBD C[C@@H](OC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 796443126 CBJVRPGYUKPSIJ-GFCCVEGCSA-N 426.385 4.135 5 20 IIBD COC(=O)N1CCC(CNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 796509447 FBOKTZWNJKRLEB-UHFFFAOYSA-N 449.511 4.016 5 20 IIBD COCc1ncc(C(=O)Oc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)s1 796799521 VBFXBQUBZTYVNQ-UHFFFAOYSA-N 438.417 4.190 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H]1CCc2ccc(-c3ccccc3)cc21 800625769 BQKYCSUGKBJPNQ-FQEVSTJZSA-N 433.439 4.452 5 20 IIBD COCCN([C@H](C)c1ccccc1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 809811599 DYWKJHZJAWCCCZ-GFCCVEGCSA-N 433.313 4.300 5 20 IIBD C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(N2CCCCC2=O)cc1 811004132 FGFGRILGIROEJM-QGZVFWFLSA-N 436.512 4.203 5 20 IIBD CC(C)c1nnc(NC(=O)CCC(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])s1 811152980 SVTKLNJAXPDXNC-UHFFFAOYSA-N 447.300 4.339 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 811551609 DMVMCOMXSJBCDL-HDJSIYSDSA-N 425.913 4.309 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](CCN2CCCC2=O)c2ccccc21 812025434 AJKSRLVHYWYPHH-GOSISDBHSA-N 446.511 4.121 5 20 IIBD O=C(OCC[C@H](c1ccccc1)C(F)(F)F)c1cc([N+](=O)[O-])ccc1N1CCOCC1 816476386 YSENJTYCKLLWQE-GOSISDBHSA-N 438.402 4.324 5 20 IIBD Cc1ccc(CN2CC[C@H](CN(C)C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)C2)s1 819732628 AJQUEZGFXRNQIW-GOSISDBHSA-N 442.585 4.159 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 912889537 DAMSQVUOZIOGOO-UHFFFAOYSA-N 446.503 4.148 5 20 IIBD Cc1cc(C)c(OC(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)c([N+](=O)[O-])c1 915826848 GAFFNNFEZRUBJP-OAHLLOKOSA-N 436.386 4.185 5 20 IIBD O=C(OCc1nc(O)c2ccc(C(F)(F)F)cc2n1)c1ccc(Cl)cc1[N+](=O)[O-] 916597685 UJTWJFCISOABLR-UHFFFAOYSA-N 427.722 4.273 5 20 IIBD COc1c([N+](=O)[O-])cc(NCCO[C@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1Br 917074982 NTVVFYHRQHUROM-MFKMUULPSA-N 432.271 4.281 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1OC(=O)CCc1nc(-c2cc(Br)cs2)no1 920112498 BZFIJGMMALCQKI-UHFFFAOYSA-N 438.259 4.315 5 20 IIBD CC(C)[C@@H](NC(=O)COC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 920776925 BFVNVESRNOEAJP-VBKZILBWSA-N 434.876 4.072 5 20 IIBD Cc1ccc(/C=C2\SC(=O)N(CCNC(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2=O)cc1 929086474 KCQQKYGRHKZNRJ-YVLHZVERSA-N 445.884 4.023 5 20 IIBD CC(=O)NCc1ccc(-c2csc(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)n2)cc1 1116557676 UCSQQZIEQXJVGL-LBPRGKRZSA-N 442.472 4.236 5 20 IIBD O=C(Nc1ccn(C2CCCCC2)n1)c1cc(I)cc([N+](=O)[O-])c1 1116820490 GDPPBYFDYNNGOK-UHFFFAOYSA-N 440.241 4.153 5 20 IIBD COc1ccc(NC(=O)N[C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)c([N+](=O)[O-])c1 1263627641 RJTYCKAKNJCLRL-QVKFZJNVSA-N 429.473 4.050 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(Cn1nc(-c3cccnc3)n(-c3ccccc3)c1=S)C2 1319158153 SWSMMMSSJXHSRK-UHFFFAOYSA-N 430.493 4.347 5 20 IIBD C[C@@H](OC(=O)CCOc1cc(Cl)ccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 1321917106 FRRSAQTXTQPILP-LLVKDONJSA-N 427.240 4.241 5 20 IIBD Cc1ccc(-c2nnc(N(C)CCc3ccccc3[N+](=O)[O-])n2C[C@@H]2CCOC2)c(C)c1 1343813305 AVCNTERGSSXKPS-IBGZPJMESA-N 435.528 4.186 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3F)CCC2)cc1)c1cccnc1 1787305525 DZEMMNDSJPZFCD-UHFFFAOYSA-N 434.427 4.190 5 20 IIBD Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])[nH]4)cc3)CCC2)n1 1790184447 SWKJABDXFCUVHF-UHFFFAOYSA-N 447.495 4.007 5 20 IIBD COC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3c(F)ccc([N+](=O)[O-])c3C)cc2)CCC1 1790771150 SJCLXVZWWUGVDT-CQSZACIVSA-N 443.475 4.073 5 20 IIBD C[C@H]1C[C@@]1(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 1799950576 FDJPLRSRLJGQDO-KZDMQCJOSA-N 427.526 4.107 5 20 IIBD Cc1cccc(Cl)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])o1)C2 1800489664 UVLVWFOOEQJOMT-SSCFBFAFSA-N 443.887 4.115 5 20 IIBD Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(F)c2[N+](=O)[O-])C3)c(Cl)c1 1803628933 KKLRYHXWHVNAKH-QDMKHBRRSA-N 445.878 4.261 5 20 IIBD Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3cccc([N+](=O)[O-])c3)n[nH]2)cc1 1814376105 OKPKKWXDXOMWBX-OAQYLSRUSA-N 447.495 4.175 5 20 IIBD O=C(C1CCCCC1)N1CCC([C@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1823679621 HGWNTNOZULSEOO-HSZRJFAPSA-N 441.572 4.337 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCCCN2C(=O)C2CCCC2)CC1 1826251449 QDXKWNMEAOWJGD-QHCPKHFHSA-N 441.572 4.337 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)C2=CCCC2)CC1 1826279208 SZKXIELECDWOKY-OAQYLSRUSA-N 443.519 4.386 5 20 IIBD C[C@@H](OC(=O)c1cccc(Br)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 3377449 WWKCNMUINCLJGG-SECBINFHSA-N 427.638 4.195 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(Nc2ccccc2F)s1 10316180 FJUXGYWCBHBTDP-JTQLQIEISA-N 449.489 4.457 5 20 IIBD Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])o2)c1 12674889 PXWGCHCTVAZFHE-UHFFFAOYSA-N 434.861 4.249 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)CCSc2ccc(C)c(C)c2)c([N+](=O)[O-])c1 16837013 REKUSVHIZMVOFG-OAHLLOKOSA-N 432.498 4.273 5 20 IIBD COc1ccc2nc(NC(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)sc2c1 23324798 OHGWJGULAZDWLW-UHFFFAOYSA-N 437.481 4.327 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@@H](c3ccccc3)c3nccn3C)cc2[N+](=O)[O-])C1 23774026 GFEBELPBKIXETI-IXFSTUDKSA-N 447.539 4.330 5 20 IIBD O=[N+]([O-])c1ccc(N[C@@H]2CCSc3c(F)cccc32)c(S(=O)(=O)N2CCCC2)c1 57680840 OHXLTENPCYINHE-MRXNPFEDSA-N 437.518 4.167 5 20 IIBD Cc1cc(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)ccc1Oc1cccnc1 63164846 JQOQBGWFWULWCQ-UHFFFAOYSA-N 433.468 4.445 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccc(NC(=O)c2ccco2)cc1 64419019 LADSDKDEUDHVDT-CYBMUJFWSA-N 443.843 4.177 5 20 IIBD O=C(Nc1cc(Br)ccc1N1CCOCC1)c1cc([N+](=O)[O-])ccc1Cl 69565518 ZZOJIRNDQKSMGA-UHFFFAOYSA-N 440.681 4.100 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 109291103 UELWWXNIUHNSMZ-UHFFFAOYSA-N 448.458 4.015 5 20 IIBD O=C(Nc1nc(C2CC2)cs1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 195582879 GGWNWKFTXOKKCS-UHFFFAOYSA-N 441.435 4.302 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CCC[C@@H]2/C=C\c2ccccc2)cc1[N+](=O)[O-] 222236949 UXSREYSFWQNXRZ-LECLMCCNSA-N 435.509 4.193 5 20 IIBD COc1cc(CNC2CCN(c3cccs3)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F 237364635 OHMQGANIONVFBM-UHFFFAOYSA-N 445.463 4.365 5 20 IIBD O=[N+]([O-])c1ccccc1N1CCN(Cc2ncc(-c3ccccc3Br)o2)CC1 303839540 BJDFIFYZDAXISY-UHFFFAOYSA-N 443.301 4.335 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 426218398 DRCXIGXHDNBRNA-AEFFLSMTSA-N 441.381 4.472 5 20 IIBD Cc1noc(C[C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c2ccccc2)n1 429517364 RJHTWPBMLWACLR-QGZVFWFLSA-N 435.465 4.124 5 20 IIBD Cc1cc(N2CCCC2)ccc1NC(=O)COc1c(Br)cccc1[N+](=O)[O-] 431219727 OJMXEHGFFLIEHU-UHFFFAOYSA-N 434.290 4.283 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(=O)N1CCC(C(F)F)CC1 435841722 AEWCVMIHZDJXDZ-UHFFFAOYSA-N 441.481 4.250 5 20 IIBD CC1(C)CN(C(=O)c2sc(Br)cc2[N+](=O)[O-])C[C@]2(C[C@@H]3CC[C@H]2C3)O1 440910748 RWQGKOPEUMHNOU-RLFDGXBXSA-N 429.336 4.229 5 20 IIBD CCCCN(C)C(=O)c1ccccc1S(=O)(=O)N(CCC)c1cccc([N+](=O)[O-])c1 442617559 OWDUJRKDIYXWDF-UHFFFAOYSA-N 433.530 4.072 5 20 IIBD Cc1oc(-c2ccccc2)nc1CS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 443207477 ZMLMLAZUQHODRT-UHFFFAOYSA-N 437.271 4.295 5 20 IIBD C[C@H](NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(Br)s1 444099550 SSPYQISQHNIQLF-LBPRGKRZSA-N 439.335 4.012 5 20 IIBD O=C(N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444283246 CGTSKFHPSIDMDD-XXBNENTESA-N 438.405 4.359 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 444740662 XHOCLYSZDFRLSU-HNNXBMFYSA-N 447.438 4.304 5 20 IIBD Cc1cc(C)cc(OCc2noc(CN3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)n2)c1 448079350 AGQIMQKBOBKHPN-UHFFFAOYSA-N 438.484 4.217 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cn1)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 448110943 JPYDFIBVRNDYLG-LBPRGKRZSA-N 428.495 4.423 5 20 IIBD Cc1cccc(-c2nnc(N3CCc4ccc([N+](=O)[O-])cc4C3)n2CCc2ccccc2)n1 460420668 CRHSIIGWEZHSFG-UHFFFAOYSA-N 440.507 4.362 5 20 IIBD O=[N+]([O-])c1ccccc1CN(c1nnc(-c2ccccc2F)n1C[C@@H]1CCOC1)C1CC1 461659545 GEJYYKMORDFYBJ-INIZCTEOSA-N 437.475 4.198 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(NC(=O)c2ccncc2)cc1 462487471 JVIRBUDLEFBYQD-LJQANCHMSA-N 432.480 4.127 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 462492526 GFFRVNDFHKBMBD-SCTDSRPQSA-N 439.512 4.052 5 20 IIBD O=C(O)CCc1cccc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 467945033 DOHQNQAUXPSWLY-UHFFFAOYSA-N 425.363 4.072 5 20 IIBD Cc1nn(CCC(=O)N(C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)c(C)c1[N+](=O)[O-] 470730723 XNRHKCWHLJKDRU-NSHDSACASA-N 429.304 4.031 5 20 IIBD COC(=O)c1sc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc1C(C)(C)C 471561448 ZKXGNROXAYNECS-UHFFFAOYSA-N 431.392 4.407 5 20 IIBD Cc1cc(NC(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)n(-c2ccc([N+](=O)[O-])cc2)n1 471606701 USIMLUAQYIPHGK-UHFFFAOYSA-N 442.479 4.469 5 20 IIBD CCc1ccc(-c2noc([C@@H](C)NC(=O)c3ccc([N+](=O)[O-])cc3Br)n2)cc1 472415263 VTEWPYOTZHZUGE-LLVKDONJSA-N 445.273 4.461 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)NC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1F 472538566 IKEFYYWAVGDJFG-VXGBXAGGSA-N 448.838 4.390 5 20 IIBD COc1cccc([C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])c2cc(F)ccc2OC)c1 474150419 BUFGIWRVOXNRGT-NRFANRHFSA-N 425.416 4.052 5 20 IIBD COc1ccc(-c2nc(CN3CCN(c4cccc(OC)c4[N+](=O)[O-])CC3)cs2)cc1 475358616 QCQNUISKAQHOES-UHFFFAOYSA-N 440.525 4.058 5 20 IIBD COc1ccc([C@@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)c2c[nH]c3ccccc23)cc1 475498322 XAIYKPATZMJCHO-OAQYLSRUSA-N 431.448 4.352 5 20 IIBD COC(=O)COc1ccc(CN(C)[C@H](C)c2ccccc2Br)cc1[N+](=O)[O-] 475556046 ZXYPTWWNZHFZFL-CYBMUJFWSA-N 437.290 4.102 5 20 IIBD O=C(N[C@H](CO)c1ccccc1OC(F)(F)F)c1cc2cc([N+](=O)[O-])ccc2s1 478167878 IVCFACMNOFIWIK-CYBMUJFWSA-N 426.372 4.172 5 20 IIBD O=C([C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1CCC(c2cccc(Cl)c2)CC1 478256744 RQDQFKVELGWNON-KRWDZBQOSA-N 447.944 4.321 5 20 IIBD O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1ccc([N+](=O)[O-])cc1Cl 479308465 HLEVJBGRWUTDME-HNNXBMFYSA-N 428.659 4.090 5 20 IIBD CCN(C(=O)Cn1cc([N+](=O)[O-])nc1C)[C@H](c1cccnc1)c1csc2ccccc12 481016306 PQEMFQURVGRVBB-JOCHJYFZSA-N 435.509 4.348 5 20 IIBD CCn1c(S[C@@H]2CCN(c3ccccc3Cl)C2=O)nnc1-c1ccc([N+](=O)[O-])cc1 481358846 JKTPQTJOYBHWSF-QGZVFWFLSA-N 443.916 4.424 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ccc(N2CCCCC2)c2ncccc12 481856406 GDLMURBIYRUQGY-UHFFFAOYSA-N 440.525 4.118 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 482284291 FQXWRZVJGDFJKB-UHFFFAOYSA-N 429.498 4.138 5 20 IIBD Cc1c([C@H](C)NCCC(=O)N(C)Cc2ccccc2Br)cccc1[N+](=O)[O-] 482886111 GCDUYCPJGFXBBT-HNNXBMFYSA-N 434.334 4.365 5 20 IIBD O=[N+]([O-])c1ccc(OC(F)F)c(CN(CCO)Cc2ccc(Br)s2)c1 483494209 VQMZXTMUBGLJGU-UHFFFAOYSA-N 437.262 4.015 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cccc(CS(=O)(=O)C2CCCCC2)c1 484545200 UMGRYDGNXHMBCX-UHFFFAOYSA-N 445.541 4.201 5 20 IIBD COc1ccc2c(c1NC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-])CCC2 484984547 FWHLSWHHCATITA-GOSISDBHSA-N 441.484 4.297 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCC2CCN(Cc3cccs3)CC2)cc1SC 486152386 OGNKPCANXLPKFL-UHFFFAOYSA-N 435.571 4.029 5 20 IIBD Nc1c(C(=O)Nc2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2)cccc1[N+](=O)[O-] 487243883 IUWIVNQQCMSEGD-FQEVSTJZSA-N 430.464 4.407 5 20 IIBD O=C(Nc1cccc(OCc2ccc(F)cc2)c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 487913360 PWFPHDGNXKGDRM-UHFFFAOYSA-N 439.447 4.378 5 20 IIBD CCOC(=O)c1sc2cccc(F)c2c1Cn1cc([N+](=O)[O-])c(=O)c2ccccc21 487925022 NWZADOREPULSBL-UHFFFAOYSA-N 426.425 4.489 5 20 IIBD O=C(Nc1ccc(-n2cccn2)cc1C(F)(F)F)c1ccn(-c2ccccc2[N+](=O)[O-])n1 488588199 UIQCXVUNPHKYFR-UHFFFAOYSA-N 442.357 4.237 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C[C@@H](C)c1ccccc1)[C@@H](C)CO 489453526 XUNCSGVZUSULMI-KGLIPLIRSA-N 435.318 4.292 5 20 IIBD COC(=O)c1c(Br)ccc(NC(=O)CSc2ccccc2[N+](=O)[O-])c1C 489653612 KIKFWUXSMBKURC-UHFFFAOYSA-N 439.287 4.183 5 20 IIBD Cc1[nH]c2ccccc2c1C1CCN(C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)CC1 490368373 PLQMDSRPJBZBGL-UHFFFAOYSA-N 444.495 4.293 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2ccncc2C)c([N+](=O)[O-])c1 491335374 QWNSSXMYEOQDJE-UHFFFAOYSA-N 426.498 4.126 5 20 IIBD COC(=O)CCc1csc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)n1 491836135 XHRCAPJFHWYOIU-UHFFFAOYSA-N 440.481 4.021 5 20 IIBD Cc1cc(C)nc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)CC2)n1 493967108 PPGGROIWPYXOHP-UHFFFAOYSA-N 449.536 4.115 5 20 IIBD CCN(CC)C(=O)c1ccc(S(=O)(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)cc1 494498696 WGBLAWFURUBNAO-UHFFFAOYSA-N 445.541 4.215 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCc1csc(-c2ccccc2)n1 497357109 KGMMHCMIHRNRLN-ZDUSSCGKSA-N 431.901 4.498 5 20 IIBD Cc1occc1C(=O)Nc1cc(Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])ccc1F 497535609 ALZIBJSXOFPVPM-UHFFFAOYSA-N 433.417 4.035 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3cccc(Br)c3)cc2)c(C)c1[N+](=O)[O-] 499079203 XIWJOIYSNCUMQQ-UHFFFAOYSA-N 429.274 4.471 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1)N(CCO)Cc1cccc(OCc2ccccc2Cl)c1 500456368 PDDTVJDVFBGOPG-UHFFFAOYSA-N 440.883 4.462 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 500979218 HPSRAEVATLVSJH-NRFANRHFSA-N 435.484 4.062 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCCCc3c[nH]c4ccc(F)cc34)cc2)c(C)c1[N+](=O)[O-] 501999297 IICHCGKYOVFYIP-UHFFFAOYSA-N 449.486 4.439 5 20 IIBD C[C@@H](NC(=O)c1ccccc1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 506078085 FJRLUOZVTFXRJQ-QGZVFWFLSA-N 444.491 4.087 5 20 IIBD O=C(NC1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1)c1ccc(F)cc1 506451741 MIVBVXPRJRANOY-UHFFFAOYSA-N 440.500 4.252 5 20 IIBD O=C(Nc1ccc(F)cc1OCC(F)(F)F)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 506901773 YLARCXVPXGATOU-UHFFFAOYSA-N 442.369 4.029 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)c([N+](=O)[O-])c1 507436141 SGXASOFZAABWIP-UHFFFAOYSA-N 435.889 4.266 5 20 IIBD C[C@H](c1ccc(F)cc1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1I 508793926 IGRVVEDRIGTFLA-SNVBAGLBSA-N 428.201 4.172 5 20 IIBD CCC1(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCN(C(=O)c2ccccc2)CC1 510313832 JJTMKVALDSFJHO-UHFFFAOYSA-N 447.438 4.467 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1 511255999 CEBCXRWWZYZKBM-TZIWHRDSSA-N 425.529 4.089 5 20 IIBD O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(Cl)cc1[N+](=O)[O-] 511843219 IFMDQEZLKYLMNT-OAHLLOKOSA-N 427.810 4.271 5 20 IIBD COc1cc(CCNC(=O)N[C@@H]2CCC(C)(C)c3ccccc32)c([N+](=O)[O-])cc1OC 514030275 DBPVZTBCBLPUQX-GOSISDBHSA-N 427.501 4.266 5 20 IIBD Cc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 514501849 ZGPSFKHVKBYVHG-GFCCVEGCSA-N 439.440 4.204 5 20 IIBD CCn1c(S[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)nnc1-c1cccc(Cl)c1 517554902 JNISQEDIBWZRJP-QGZVFWFLSA-N 443.916 4.424 5 20 IIBD Cc1nc(-c2ccc([C@@H](C)NC(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)cc2)cs1 518285041 CRDHYGGDFFGESJ-CYBMUJFWSA-N 434.481 4.098 5 20 IIBD COc1cc(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)c([N+](=O)[O-])cc1OC(F)F 518293195 YQTMUHSEMISTCU-CYBMUJFWSA-N 437.443 4.064 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Oc2ccnc3ccccc23)cc1 522244615 CLUOVFLNPCXEJA-UHFFFAOYSA-N 442.431 4.190 5 20 IIBD CCN(CC)Cc1cccc(CNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)c1 522622508 XKNKBCLCXQCBJB-UHFFFAOYSA-N 441.919 4.248 5 20 IIBD Cc1ccc(C(C)C)c(Oc2ccc(CN[C@H]3CCCS(=O)(=O)C3)cc2[N+](=O)[O-])c1 522892061 OLLAQBPSOCUIEI-SFHVURJKSA-N 432.542 4.486 5 20 IIBD Cc1ccc(Cn2cccc(NC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)c2=O)cc1 532839602 JSOSNHLHZIQMSV-UHFFFAOYSA-N 432.480 4.310 5 20 IIBD COc1cc(CN(C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c(SC)cc1OC 533292760 VFEDDZJEAMLJHK-CQSZACIVSA-N 433.530 4.101 5 20 IIBD COc1cc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)ccc1NS(C)(=O)=O 536110500 YIZAMBULGZWJTD-UHFFFAOYSA-N 433.511 4.316 5 20 IIBD O=C(Nc1cccc(Cl)c1)N1CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 536481000 JVVJBZLMBRWDKV-UHFFFAOYSA-N 441.875 4.110 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C3)cs1 536684186 NJECXAQJLIBCOP-UHFFFAOYSA-N 435.552 4.144 5 20 IIBD CC(C)C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1nc(-c2nc[nH]n2)no1 537023294 SSEJBUROEPCRDC-MRXNPFEDSA-N 439.501 4.368 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C(=O)N=c2cc[nH]cc2)c1 537090469 HAHPYKXAUKULCW-UHFFFAOYSA-N 436.493 4.417 5 20 IIBD CC(=O)Nc1ccc(NC(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C(F)(F)F)c1 539379316 NEVXMWDLCBRDGF-GFCCVEGCSA-N 438.406 4.170 5 20 IIBD Cc1nsc(N2CCCN(Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)CC2)n1 539821452 JAVXARCQVGHAPT-UHFFFAOYSA-N 443.504 4.398 5 20 IIBD O=C(CN[C@H](C[C@H]1CCOC1)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Br 540434419 LFZMHMZZTOWYAP-AUUYWEPGSA-N 448.317 4.053 5 20 IIBD O=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1cccc([N+](=O)[O-])c1N1CCOCC1 540650110 OEYAPSJMAJHKFG-UHFFFAOYSA-N 446.435 4.085 5 20 IIBD O=C(NCCc1c[nH]c2ccc(Br)cc12)c1c[nH]c2cc([N+](=O)[O-])ccc12 541490510 DFYBPHFZXCLWAD-UHFFFAOYSA-N 427.258 4.292 5 20 IIBD CCc1ccc([C@@H](NCc2ccccc2CS(C)(=O)=O)c2ccc([N+](=O)[O-])cc2)o1 541565212 CQZHXJXFRDIZTQ-QFIPXVFZSA-N 428.510 4.174 5 20 IIBD C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Br)cc2)no1 541684526 POTVPMIINIKCSY-LBPRGKRZSA-N 433.262 4.137 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N3CCOCC4(CCC4)C3)c([N+](=O)[O-])c2)c(C)c1 544701577 NXIPALCAPGUFIY-UHFFFAOYSA-N 445.541 4.019 5 20 IIBD CC(C)c1ccc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)s1 545446896 ZALRKFXWRKAIJY-UHFFFAOYSA-N 437.524 4.321 5 20 IIBD CSc1ccc(-c2noc(CNC(=O)NCc3ccc([N+](=O)[O-])cc3)n2)c(Cl)c1 546508692 IWNFTVQEMAPXBR-UHFFFAOYSA-N 433.877 4.020 5 20 IIBD Cc1cc(Cc2noc(CSc3nnc(-c4cccs4)n3C)n2)ccc1[N+](=O)[O-] 547199761 DOZNDUYDVXCVTG-UHFFFAOYSA-N 428.499 4.026 5 20 IIBD O=[N+]([O-])c1ccc(NCCCc2nc(Cc3ccn(-c4c(F)cccc4F)n3)no2)cc1 547252842 BIFSAXCQICNHQW-UHFFFAOYSA-N 440.410 4.077 5 20 IIBD C[C@H]1[C@@H](NCc2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)CCS1(=O)=O 552083811 ZCSZEJINAOSNFU-KXBFYZLASA-N 432.542 4.350 5 20 IIBD O=C(O)CCCOc1ccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 554053212 ICCYZZNCPUQHMR-UHFFFAOYSA-N 427.438 4.214 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O 554214948 VPKZKLLQHNHEOG-LJQANCHMSA-N 448.882 4.113 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ncnc2c1c(C)c(C)n2C[C@H]1CCCO1 554792897 CGWVKEQVLQYYDO-QGZVFWFLSA-N 437.500 4.313 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@](F)(c2cc(F)cc(F)c2)C1 556484431 CAHPHHPVBFNGBR-QGZVFWFLSA-N 429.192 4.346 5 20 IIBD C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](c1cncc(Br)c1)C1CC1 556608610 ITWBOPURGFRNML-HXPMCKFVSA-N 433.306 4.210 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CC(C)(C)[C@H]2c2cnn(C)c2)cc1[N+](=O)[O-])c1ccccn1 560561040 HJLNYFDUNBUWNX-QVKFZJNVSA-N 434.500 4.120 5 20 IIBD O=C(Nc1ccc(Cn2ccnc2)cn1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 561380887 HYSUVCQSFJHMSS-UHFFFAOYSA-N 428.452 4.099 5 20 IIBD CCCCN(C)S(=O)(=O)c1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1 562176881 IPGZIEPXXJSBCY-UHFFFAOYSA-N 431.470 4.014 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCCn2cnc3ccccc32)c([N+](=O)[O-])c1 567553187 FJUCPMYFQSMTLO-UHFFFAOYSA-N 444.447 4.074 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(N(C(C)=O)[C@@H]3C[C@H]3C)cc2)cc1OC 573128749 NHLIBMDLMVGRJW-FZKQIMNGSA-N 427.457 4.016 5 20 IIBD Cc1cc(CNC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)ccc1-c1ccccc1 573158292 SFCJNSILSQVIIF-UHFFFAOYSA-N 443.503 4.378 5 20 IIBD COc1ccc([C@H](CN(C)C)NCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)cc1 574590589 YTQMUTBIOGDOIW-NRFANRHFSA-N 425.485 4.265 5 20 IIBD CC(C)(NC(=O)c1cc(I)ccc1F)c1ccccc1[N+](=O)[O-] 583890248 XBVMMGVVKWTYME-UHFFFAOYSA-N 428.201 4.004 5 20 IIBD CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)COc1cccc([N+](=O)[O-])c1 603564849 CYZMBYPVOSDGRI-UHFFFAOYSA-N 442.475 4.485 5 20 IIBD Cc1nc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)sc1C 603648644 OXCZJCYWQKDGFW-UHFFFAOYSA-N 429.424 4.041 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)NCC(C)(C)c2ccccc2Cl)cc1[N+](=O)[O-] 609067553 BCOGZPHVDJZNIJ-UHFFFAOYSA-N 445.932 4.236 5 20 IIBD COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)c2cc([N+](=O)[O-])ccc2OC)cc1 609219304 MOKGFQCPKOJPJW-UHFFFAOYSA-N 436.464 4.463 5 20 IIBD COC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c(OC(F)F)c1 609509822 DRFYXQDLKDOFOL-SNVBAGLBSA-N 426.397 4.102 5 20 IIBD COc1ccc(CNc2ccc3oc(=O)n(C)c3c2)cc1OCc1ccc([N+](=O)[O-])cc1 610910717 UZJHMNMOGLTQTN-UHFFFAOYSA-N 435.436 4.239 5 20 IIBD C[C@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccc(Cl)cc1 725986088 RXBSXAAUPAJKGN-JTQLQIEISA-N 441.665 4.045 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1I)c1cc(F)ccc1F 726027359 RJYZYFCKFZVCGB-MRVPVSSYSA-N 433.148 4.396 5 20 IIBD Cc1nn(CCC(=O)Nc2ccccc2C(=O)Nc2cccc(Cl)c2)c(C)c1[N+](=O)[O-] 726497939 LQIQCIMYXIELKP-UHFFFAOYSA-N 441.875 4.343 5 20 IIBD Nc1c(C(=O)OCc2nnc(-c3c(Cl)cccc3Cl)o2)cc(F)cc1[N+](=O)[O-] 726639889 PCZVYUVIEYMGHU-UHFFFAOYSA-N 427.175 4.030 5 20 IIBD COc1ccc(CCN(Cc2ccccc2)C(=O)COc2ccc([N+](=O)[O-])c(F)c2)cc1 727091791 XHDPOAPXPHSJTJ-UHFFFAOYSA-N 438.455 4.393 5 20 IIBD O=C(Nc1cc(F)cc(F)c1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727586254 DMLVEYJIMUXXTI-UHFFFAOYSA-N 430.333 4.246 5 20 IIBD COC1CCN(c2ccc(NC(=O)c3ccc(N)c([N+](=O)[O-])c3)cc2C(F)(F)F)CC1 728043704 WNSFZYXECYKEFQ-UHFFFAOYSA-N 438.406 4.063 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 731033819 CZFQPILSYDNROK-XCLFUZPHSA-N 435.883 4.160 5 20 IIBD O=Cc1ccc(OCC(=O)Nc2ccc(Oc3ccncc3)c(Cl)c2)c([N+](=O)[O-])c1 731624190 BYDGQUXWXFVJBI-UHFFFAOYSA-N 427.800 4.266 5 20 IIBD O=[N+]([O-])c1ccc2cnn(Cc3nc(-c4ccc(Oc5ccc(F)cc5)nc4)no3)c2c1 731804173 NQQSIXGEBZRCMA-UHFFFAOYSA-N 432.371 4.369 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccccc1CN(C)C(=O)OC(C)(C)C 732525685 BNWZODRCAWXXSW-UHFFFAOYSA-N 435.502 4.071 5 20 IIBD CS(=O)(=O)c1ccc(-c2csc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 733643837 BMESPLAPAZYKNM-UHFFFAOYSA-N 437.886 4.028 5 20 IIBD O=[N+]([O-])c1ccc2nc(Sc3ccc(CNC[C@@H](O)C4CC4)cc3[N+](=O)[O-])sc2c1 733900926 QAIYHKUPSHEZID-MRXNPFEDSA-N 446.510 4.124 5 20 IIBD COc1cc(OCC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)ccc1[N+](=O)[O-] 735251835 RQPZJKHQUSEUTD-UHFFFAOYSA-N 439.380 4.321 5 20 IIBD CN(C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1ccc([N+](=O)[O-])cc1 735995362 JOPNULMRVKHCOG-UHFFFAOYSA-N 436.211 4.272 5 20 IIBD C[C@H](OC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1)c1ccccc1[N+](=O)[O-] 741439043 SPTGQGJGMBZWLG-INIZCTEOSA-N 425.462 4.487 5 20 IIBD C[C@H]1C[C@H](c2cccc(F)c2)N(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 742321527 MNLNGFGTDUHEAW-APPDUMDISA-N 443.294 4.268 5 20 IIBD COc1nc(C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)cc2ccccc12 743607951 OEUQAVONWBWVKV-UHFFFAOYSA-N 447.451 4.252 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)cc([N+](=O)[O-])c1C 744008216 ZSOBQOIURGYGSG-HZPDHXFCSA-N 443.308 4.127 5 20 IIBD CCN(CC)c1nc2sc(C(=O)O[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])cc2s1 744555563 QVWJYJLMTCQGMI-LLVKDONJSA-N 448.526 4.296 5 20 IIBD C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 746659793 ZHFYKRACINOMBR-HNNXBMFYSA-N 427.892 4.177 5 20 IIBD CCOc1cc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c([N+](=O)[O-])cc1OCC 747210273 MSNGSDBVSLMYBA-UHFFFAOYSA-N 444.444 4.497 5 20 IIBD Cc1nccn1-c1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 747217992 VREDWJPCYTVADI-UHFFFAOYSA-N 433.512 4.255 5 20 IIBD CC(C)[C@@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N1CCCC[C@@H]1C 747961635 HHSXVDDRZGAWMA-KBXCAEBGSA-N 431.514 4.301 5 20 IIBD Cc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 748950763 NMTJDJJHPLDTNN-LBPRGKRZSA-N 435.820 4.266 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NCc2ccc(Oc3cccc(F)c3)nc2)c1[N+](=O)[O-] 749247957 BGEDMSLDSCXHNP-UHFFFAOYSA-N 428.376 4.242 5 20 IIBD Cn1c(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])ccc1-c1ccc(F)cc1 749332133 YPZVQHHOQQDVQC-UHFFFAOYSA-N 431.807 4.188 5 20 IIBD Cc1ccc(NC(=O)N2CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])CC2)cc1Cl 749911669 CTGCJUPRRJRSNR-UHFFFAOYSA-N 437.283 4.200 5 20 IIBD C[C@H](NC(=O)COC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 750535701 QIQYYCHFBUHCKT-JTQLQIEISA-N 446.765 4.181 5 20 IIBD COc1ccc(CSCC(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)cc1[N+](=O)[O-] 754394382 JOVOVQLUWQXCHU-DOTOQJQBSA-N 436.555 4.013 5 20 IIBD CC[C@@H](C)c1nc([C@H](C)NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)n[nH]1 754427730 SACFDARNSQMOJQ-SFYZADRCSA-N 430.690 4.133 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 754490196 UFBBXABPENDQQX-AWEZNQCLSA-N 442.472 4.066 5 20 IIBD O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1c2ccccc2cc2ccccc12 754584148 QUCJTLXILLGLGK-UHFFFAOYSA-N 434.473 4.105 5 20 IIBD O=C(NCCc1ccc(OC[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc(Cl)cc1 755350088 DXYUVRPCXKDMDG-JOCHJYFZSA-N 440.883 4.333 5 20 IIBD O=C(N[C@H]1CCCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1)c1cc2ccccc2o1 755583503 MYUIALQLXSQGHQ-AWEZNQCLSA-N 427.844 4.029 5 20 IIBD Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c1 756994359 VMAAAFDXEIQOHR-UHFFFAOYSA-N 445.932 4.163 5 20 IIBD C[C@](CO)(NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C1CC1 759536505 SPWLDINXTQJIHC-GTUDIADOSA-N 437.521 4.412 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)O[C@H]2CCc3c(Cl)cc(Cl)cc32)cc1[N+](=O)[O-] 759915832 HFPUJFQAHHWYCJ-HNNXBMFYSA-N 430.265 4.149 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(CN2CCCCC2=O)cc1 760489607 BKLNJGHDKBYGAB-UHFFFAOYSA-N 435.436 4.119 5 20 IIBD Cc1cc(C)n(-c2ccccc2CNC(=O)c2ccc(Br)c([N+](=O)[O-])c2)n1 760722336 KPBLVKYGFIDZKG-UHFFFAOYSA-N 429.274 4.090 5 20 IIBD O=C(Nc1cccc(-c2noc(-c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)n2)c1)C1CCC1 761654881 CHOITGBFHNSXBH-UHFFFAOYSA-N 430.424 4.236 5 20 IIBD Cn1cc([C@@H](O)CNC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)cn1 762526415 SCHUQEAHMGLCCT-QHCPKHFHSA-N 425.488 4.130 5 20 IIBD Cc1cc(C(=O)COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c(C)n1-c1nccs1 763002326 ZAMZRACUGPXGIN-UHFFFAOYSA-N 445.472 4.302 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1F 764052409 MFQXRRCFMYKOFY-LLVKDONJSA-N 445.428 4.050 5 20 IIBD C[C@@H](OC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1nc2cc(C(F)(F)F)ccc2n1C 764541916 YILSKPLLDZNADZ-LLVKDONJSA-N 447.373 4.154 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC(O)(c2ccccc2Cl)CC1 765068678 DWYSSZYBWSEXFJ-UHFFFAOYSA-N 439.693 4.135 5 20 IIBD O=C(Nc1cccc(OCC(F)F)n1)c1cc(Br)cc([N+](=O)[O-])c1Cl 765422435 YCNHIZBYBNVDCL-UHFFFAOYSA-N 436.596 4.302 5 20 IIBD CC(C)(C)N(Cc1cccc(F)c1)C(=O)COC(=O)c1ccc([N+](=O)[O-])c2cccnc12 766222713 PYKIGFMGMUXLBC-UHFFFAOYSA-N 439.443 4.266 5 20 IIBD Cc1cc(-c2noc(COC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])n2)ccc1F 767356265 URMCOXVAMAXJGV-UHFFFAOYSA-N 435.795 4.258 5 20 IIBD CC1CCN(c2ccc(NC(=O)C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)cc2)CC1 773674564 HXUZECGEHKDIKB-UHFFFAOYSA-N 448.426 4.010 5 20 IIBD CSc1cccc(C(=O)Nc2ccc(N3CCC(N(C)C)CC3)c(F)c2)c1[N+](=O)[O-] 776828473 QMZDEYABZYGSRE-UHFFFAOYSA-N 432.521 4.239 5 20 IIBD CC(C)(C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1I)C(F)(F)F 778131172 NRQUSJKWPRICLH-LLVKDONJSA-N 444.191 4.296 5 20 IIBD C[C@H](NC(=O)CC(C)(C)C)C(=O)O[C@H](c1ccc(Br)cc1)C(C)(C)[N+](=O)[O-] 778723983 HWFSIIGWOPCWTK-BLLLJJGKSA-N 443.338 4.030 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1cccc(Cl)c1 780839457 LVDAYXFQJFCIKU-OAQYLSRUSA-N 434.879 4.369 5 20 IIBD C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] 780884438 KRXMIDRWCCDBDP-MEDUHNTESA-N 431.297 4.052 5 20 IIBD O=C(Nc1ccc(Br)nc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 780925817 MKYJDYHUGZABPU-UHFFFAOYSA-N 430.208 4.369 5 20 IIBD CCOc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 781258355 BUURNZPKRABNIN-OAHLLOKOSA-N 430.460 4.264 5 20 IIBD CC[C@@H]1C[C@H](CC(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 781781845 RTXUJNFRCKMODN-YRGRVCCFSA-N 432.395 4.079 5 20 IIBD CC(C)[C@H]1C[C@@H](CC(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 781790490 ONPHJXNRHBWWCA-GDZNZVCISA-N 446.422 4.325 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC([C@H](O)c2ccccc2)CC1 787341561 NFESMECAXTYTMO-LJQANCHMSA-N 437.418 4.269 5 20 IIBD COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(OC(C)C)c1 789216930 PNYMNVPOUSXITC-LBPRGKRZSA-N 436.848 4.228 5 20 IIBD C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N)OCCO3 791312391 UMONDOLFYWTXAK-CYBMUJFWSA-N 441.459 4.116 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)O[C@@H](C)c1nc(-c2cccnc2)no1 792472924 DATBYVUMGHMMLK-JTQLQIEISA-N 433.218 4.029 5 20 IIBD COCc1nc(C(=O)OCCN(C)c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1 799604851 FXCATWPQWBECQO-UHFFFAOYSA-N 427.482 4.158 5 20 IIBD O=[N+]([O-])c1cc(Cl)c2c(cnn2CN2CCOC[C@@H]2c2nc3ccccc3s2)c1 799946811 GKMUJMGSFWHQSK-MRXNPFEDSA-N 429.889 4.239 5 20 IIBD C[C@H](OC(=O)C(C)(C)COCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 800290578 JQTVMWJGXNYXDU-AWEZNQCLSA-N 434.876 4.361 5 20 IIBD COC(=O)c1c(F)cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc1F 801061309 IUMFTQBZQAETBE-UHFFFAOYSA-N 433.411 4.148 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 801924318 UOIUEVPZJHJUSM-UHFFFAOYSA-N 442.274 4.444 5 20 IIBD CC(C)[C@@H](NC(=O)COC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 802652822 KKAWSQJWMJTMCQ-VBKZILBWSA-N 434.489 4.271 5 20 IIBD Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)OCc1cc(Cl)ccc1[N+](=O)[O-] 803763197 RUFGFUYLDMTKHN-UHFFFAOYSA-N 439.859 4.132 5 20 IIBD CCCN1CCC[C@H]1CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 804778111 MWSAYMRIEQCTHK-INIZCTEOSA-N 444.919 4.105 5 20 IIBD Cc1cc(=O)oc2cc(N(C)S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])ccc12 805114331 VIQUQLXEGQIKIO-UHFFFAOYSA-N 443.264 4.142 5 20 IIBD O=C(NC1CCCCC1)OC[C@H]1CCCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 805830040 WCEMODMUOVBADJ-LJQANCHMSA-N 443.504 4.058 5 20 IIBD O=C(OC/C=C\c1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 809101922 PFIREXIXDNGETH-GWQWAINWSA-N 439.251 4.356 5 20 IIBD CC(C)NC(=O)Nc1cccc(-c2noc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)n2)c1 809333987 ROPQTCFUFSWULE-UHFFFAOYSA-N 436.472 4.442 5 20 IIBD Cc1cccc(C2(NC(=O)C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)CCCC2)c1 810420168 CFYCPCROGOHULL-UHFFFAOYSA-N 446.301 4.190 5 20 IIBD CC(C)(C)OC(=O)NC[C@]1(C)CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 813246589 FDYAZZCBEMFMEX-SFHVURJKSA-N 432.304 4.279 5 20 IIBD Cc1cc(=N[C@@H](C)c2ccc(N3CCCOC3=O)cc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 814264022 VBCOMFGVQHOVAF-INIZCTEOSA-N 433.468 4.302 5 20 IIBD C[C@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F 814981367 DVUNBNDYRVNBOC-QMMMGPOBSA-N 448.810 4.172 5 20 IIBD CCCC[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C(=O)Nc1cc(C)on1 815511529 NCZMFSJQCMOERY-AWEZNQCLSA-N 429.351 4.264 5 20 IIBD O=C(O[C@H](c1nc2ccccc2o1)C(F)(F)F)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 816064915 TUFADVXOFYDHPV-MRXNPFEDSA-N 432.314 4.382 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)OCc2coc(-c3ccc(OC)cc3)n2)cc1OC 874998859 WZCCEMIPCIAULP-UHFFFAOYSA-N 428.397 4.023 5 20 IIBD CC(C)[C@@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)Nc1ccccc1F 913223235 FILFSQPOTFCIDL-OAQYLSRUSA-N 443.475 4.157 5 20 IIBD CCc1cc2oc(=O)cc(COC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)c2cc1Cl 917235137 DRFQOLIZXRGALH-UHFFFAOYSA-N 445.811 4.045 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N(Cc1ccco1)c1ccccc1 917738269 YPWUEUMUPHMHHM-UHFFFAOYSA-N 437.271 4.346 5 20 IIBD CC(=O)Nc1cccc([C@@H](C)OC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c1 918751763 PJAXBCMZAMOBQW-MRXNPFEDSA-N 436.468 4.333 5 20 IIBD O=C(COC(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1)Nc1ccc(F)c([N+](=O)[O-])c1 919205272 PFGBVWOVDLOKSG-UHFFFAOYSA-N 426.187 4.318 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)cc1[N+](=O)[O-] 920008124 ACUPPOQZUHWUKT-CQSZACIVSA-N 435.820 4.275 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC(O)(Cc2ccccc2F)CC1 1321386205 KEDVCRCDMZADFD-UHFFFAOYSA-N 430.479 4.030 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3cnc(Cl)s3)CCC2)cc1)c1ccc([N+](=O)[O-])o1 1785750125 UADKDZKHAVBCMS-UHFFFAOYSA-N 446.872 4.359 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)CC2CCCC2)[nH]n1)c1cc(F)cc([N+](=O)[O-])c1 1821164033 IZHWJWPWJSDTNU-LJQANCHMSA-N 443.479 4.343 5 20 IIBD CCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])c(O)cc2C)[nH]n1 1821939159 DEEZUZNHBSCRBE-MRXNPFEDSA-N 443.504 4.074 5 20 IIBD CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CSc2ccccc2[N+](=O)[O-])CC1 1831776208 KYHOKMCKGNOHQX-GOSISDBHSA-N 433.574 4.107 5 20 IIBD Nc1ccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1[N+](=O)[O-] 10908286 WPHMOXZYNPXHKO-UHFFFAOYSA-N 431.427 4.099 5 20 IIBD O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1csc(COc2ccc(Cl)cc2)n1 11407148 SCXPSIGIKCUMQJ-UHFFFAOYSA-N 429.841 4.080 5 20 IIBD C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 12670622 RAJBMZSBPJQJSJ-CALCHBBNSA-N 426.469 4.120 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1OC 18456693 CXYYKCFAKQINEZ-ZDUSSCGKSA-N 430.457 4.094 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1OC 28174370 PDRRLLIVOIHAEC-OAHLLOKOSA-N 430.457 4.111 5 20 IIBD CN(C)CCn1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)cn1 61636050 LPVDJMZEEZMHPU-UHFFFAOYSA-N 445.932 4.410 5 20 IIBD CNC(=O)c1cc(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)ccc1Cl 64837469 IPSRJSNOGSGTHH-OKILXGFUSA-N 444.919 4.342 5 20 IIBD O=C(NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 65213405 APPXQCSBRMEEFC-UHFFFAOYSA-N 429.358 4.211 5 20 IIBD Cc1ccc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3I)c2n1 72090843 OQOPELMMXAWJJT-UHFFFAOYSA-N 433.205 4.308 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Oc1ccccc1C(F)(F)F 72097452 OWAVQLAXTUNBOU-UHFFFAOYSA-N 426.166 4.144 5 20 IIBD COCc1nc(C(=O)O[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)cs1 109187016 ROKIFYKQXZTPRP-IBGZPJMESA-N 441.465 4.043 5 20 IIBD CCc1cccc2c(C3CCN(c4sc(S(C)(=O)=O)cc4[N+](=O)[O-])CC3)c[nH]c12 301939385 SWGGPDREMUPVRA-UHFFFAOYSA-N 433.555 4.488 5 20 IIBD O=C(Nc1ccc(COCc2ccccc2)cc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 303832159 BPYOHPJONXNHOB-UHFFFAOYSA-N 429.436 4.145 5 20 IIBD COc1ccc(OCCSc2nnc(C3CC3)n2Cc2ccccc2)c([N+](=O)[O-])c1 303943023 TZIUCVWFZSQXJJ-UHFFFAOYSA-N 426.498 4.292 5 20 IIBD O=C(Nc1ccc(I)cc1Br)c1cccc([N+](=O)[O-])c1 312419999 OUBHIQILCUUATN-UHFFFAOYSA-N 447.026 4.214 5 20 IIBD COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 409539700 UUCVZYVVLHWVCF-WBVHZDCISA-N 425.466 4.478 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC[C@@H]1SCCc2ccccc21 426008972 UTNMJTNRFGNHHI-KRWDZBQOSA-N 425.432 4.443 5 20 IIBD Cc1c(NC(=O)C(=O)NC[C@@H](c2ccccc2)C(C)C)cc(Br)cc1[N+](=O)[O-] 430328345 DWONQLGHLJCXLJ-MRXNPFEDSA-N 448.317 4.160 5 20 IIBD O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cc(Br)cc([N+](=O)[O-])c1 431492105 AZXMSBMWUUVJIO-UHFFFAOYSA-N 432.274 4.236 5 20 IIBD O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 433223502 PUEPNUHQTLJSFX-UHFFFAOYSA-N 449.336 4.281 5 20 IIBD CC(C)c1[nH]nc(C(=O)N(C)CCCCCc2cc(-c3ccc(F)cc3)n[nH]2)c1[N+](=O)[O-] 433980165 UXPXEIPFLRMXDC-UHFFFAOYSA-N 442.495 4.456 5 20 IIBD COc1cccc(C(=O)Nc2cc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)ccc2C)c1[N+](=O)[O-] 435560076 LJTPAFHHOCRAPH-GASCZTMLSA-N 425.485 4.282 5 20 IIBD CC(C)CO[C@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)C1 435827085 NVWUVUMEQLQKIX-HNNXBMFYSA-N 449.554 4.020 5 20 IIBD O=C(NCc1ccccc1CN1CCCC1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 435936016 FGSRWHRQSFSNIT-UHFFFAOYSA-N 447.485 4.485 5 20 IIBD COc1cc(Br)c(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])cc1OC 436409353 YJRHDGGNTTUUJD-UHFFFAOYSA-N 436.184 4.400 5 20 IIBD O=C(c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2)N1CC[C@@H](CO)C1 438586473 UNWBPBJDAWLNSE-UIMCMNAESA-N 443.503 4.474 5 20 IIBD Cc1ccc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1Br 438669179 QZLCHICTAGACIJ-UHFFFAOYSA-N 434.290 4.041 5 20 IIBD COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 438859860 PUJDXSUCJTVVRN-SFHVURJKSA-N 447.491 4.202 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(OCC2CCCCC2)cc1 439184884 CGHYLUSQEICTIP-UHFFFAOYSA-N 427.457 4.140 5 20 IIBD CO[C@H](C)c1nc(CN2CCCN(c3ccc([N+](=O)[O-])c4cccnc34)CC2)cs1 439597114 QCRSHTKTMQQOOH-OAHLLOKOSA-N 427.530 4.019 5 20 IIBD O=C(CN1CCC(Sc2ccc(Cl)cc2)CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 441417581 GMTZXPWQKLKBIT-UHFFFAOYSA-N 449.916 4.172 5 20 IIBD CCCN(C(=O)CSc1nnc(-c2ccc(OC)cc2)o1)c1cccc([N+](=O)[O-])c1 441446908 KDOBMCIKKGJIBM-UHFFFAOYSA-N 428.470 4.189 5 20 IIBD O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444286666 INXBMCSTVWJBMN-OAHLLOKOSA-N 435.886 4.483 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)NC1(c2cccc(OC(F)(F)F)c2)CCOCC1 444841266 WJYJFFHYKAJGOY-UHFFFAOYSA-N 425.363 4.321 5 20 IIBD COc1ccc(NC(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)cc1[N+](=O)[O-] 444929533 KDNPPKQETNHZDN-RDJZCZTQSA-N 426.256 4.032 5 20 IIBD Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)n(-c2ccccc2F)n1 446074936 UJNMNBQZAAAUEO-UHFFFAOYSA-N 433.237 4.172 5 20 IIBD COC(=O)CCCSc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] 446845489 NCMWFYMXMWMERQ-UHFFFAOYSA-N 438.527 4.058 5 20 IIBD CO[C@@H]1CCOc2c(NC(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)cccc21 448052987 XNFCMRDMDMXVBQ-HXUWFJFHSA-N 427.457 4.140 5 20 IIBD CCn1c(COc2ccccc2OC)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 460311865 BVXZVCSRHCIBCX-UHFFFAOYSA-N 425.489 4.209 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(N3C[C@H]4CC[C@H]3c3ccccc34)n2C[C@@H]2CCCO2)cc1 461181894 UMTOZFLLWWNVEA-LZNRXBQRSA-N 431.496 4.471 5 20 IIBD C[C@H](Nc1ccc(C(=O)N(C)CC[C@@H]2CCCCN2C)cc1[N+](=O)[O-])c1ccccn1 461267163 YSOQABMZYXIXBP-HKUYNNGSSA-N 425.533 4.109 5 20 IIBD COc1cc(C(=O)N[C@@H](CO)C2CCCC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 461395604 GZLRZGNWXOIJKR-INIZCTEOSA-N 434.876 4.330 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H](C)c2nccs2)CC1 464323807 ZEJVOQIWUUWKRL-HNNXBMFYSA-N 434.587 4.463 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(CCc3ccccc3)ccn2)c2ncccc12 464408323 HYAKEGANVNJHQM-UHFFFAOYSA-N 434.477 4.124 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H](C)c2nc(C3CCCCC3)no2)cc1[N+](=O)[O-] 464714762 SNZWKQSDTHQSAI-ZDUSSCGKSA-N 434.518 4.145 5 20 IIBD CCCn1ccc2ccc(NC(=O)c3cc(OC)c(OCCOC)cc3[N+](=O)[O-])cc21 465143713 CQDRSUGNLVSEDU-UHFFFAOYSA-N 427.457 4.246 5 20 IIBD CCc1cccc2c(CCNC(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)c[nH]c12 465871269 GFGJXQSYKLTDGK-UHFFFAOYSA-N 436.512 4.434 5 20 IIBD Cc1ccc([C@H](C)NC(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)cc1[N+](=O)[O-] 467334159 MWRMXHQRLRLHSU-AWEZNQCLSA-N 430.507 4.289 5 20 IIBD Cc1nn(CCC(=O)N[C@@H](Cc2cccc(Br)c2)CC2CC2)c(C)c1[N+](=O)[O-] 475854132 WPSWTXJGJOOUCB-GOSISDBHSA-N 449.349 4.088 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3ccc(Cl)c4cccnc34)CC2)ccc1[N+](=O)[O-] 477375425 QKOVMXIOJQVGRK-UHFFFAOYSA-N 440.887 4.158 5 20 IIBD CCOc1cc(Br)ccc1NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 479207132 DFTAMTIUNDOHQL-UHFFFAOYSA-N 425.235 4.026 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1nc2cc(F)c(Br)cc2s1 481281189 WZVYDYWJZPAJSP-UHFFFAOYSA-N 428.214 4.426 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(F)cc2Br)cc1SC 481722850 ZKXCQUPCUHYDJA-UHFFFAOYSA-N 443.294 4.499 5 20 IIBD O=C(c1cnc2ccccc2c1C(F)(F)F)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 483858220 PXXNGGJMGJFHLD-UHFFFAOYSA-N 430.386 4.124 5 20 IIBD CC(C)CN(C(=O)c1cn(C(C)(C)C)nn1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 485642297 JPNKHOBHHDWTJU-UHFFFAOYSA-N 428.518 4.368 5 20 IIBD COC(=O)c1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c(N(C)C)c1 485684941 OMITZUJBLAPTBB-UHFFFAOYSA-N 449.463 4.279 5 20 IIBD COC(=O)c1cc(NC(=O)N2C[C@H](C)C[C@@H]2c2cccc(OC)c2)c(C)c([N+](=O)[O-])c1 486869708 CFZPOWWBCKPGBI-ZUOKHONESA-N 427.457 4.313 5 20 IIBD COc1ccc([C@@H]2CCCN2C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 488288458 KTGWUQMREIGMAP-KRWDZBQOSA-N 433.892 4.355 5 20 IIBD Cn1cc([C@H]2Nc3ccccc3C(=O)N2Cc2cccnc2)c(-c2ccc([N+](=O)[O-])cc2)n1 489227998 UTCVYVARMOFYEU-QHCPKHFHSA-N 440.463 4.157 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)c(C)c([N+](=O)[O-])c1 489758595 NXYGHHZGSFWFMM-UHFFFAOYSA-N 433.420 4.194 5 20 IIBD CNC(=O)c1ccc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1Cl 489957089 MSDALRLKGOYWIR-UHFFFAOYSA-N 438.871 4.472 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H](c2nc3c(s2)CCCC3)C1 490025639 IEFYTPFFZYBNDA-OAHLLOKOSA-N 444.557 4.147 5 20 IIBD COc1cc(CNc2cccc(CN3CCCCC3=O)c2)c([N+](=O)[O-])cc1OCC(F)F 491034172 GRLKZQKBTMSROY-UHFFFAOYSA-N 449.454 4.372 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 494541031 FWATVNAQOAAPFQ-CYBMUJFWSA-N 431.876 4.490 5 20 IIBD C[C@H]1C[C@@H](C)CN(CCCCNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 494661423 MRFRPHRBTDIXFB-GASCZTMLSA-N 430.471 4.171 5 20 IIBD Cc1cc(CN2CCSCC2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 497800536 LAMJSYMKCUGQAJ-UHFFFAOYSA-N 437.468 4.306 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](c1cccc(F)c1)c1ccccn1 498878874 FJIGBAQAKYXTOJ-RNODOKPDSA-N 429.835 4.455 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OC(C)C)cc1C(F)(F)F 499292811 VKPXQDHIPPFOCV-UHFFFAOYSA-N 434.392 4.216 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 500757997 LBFKUTOTPKFBED-UHFFFAOYSA-N 442.825 4.195 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1(c2ccc(C(C)(C)C)cc2)CCC1 501288977 OIEWUYIHOILYIV-UHFFFAOYSA-N 439.512 4.078 5 20 IIBD COc1ccccc1C1(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1 501817886 BGQHDNVBYQCPBS-UHFFFAOYSA-N 449.429 4.003 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@@H](C)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 503430692 HHJZTCWWPMMCRV-OAHLLOKOSA-N 431.539 4.250 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 504265740 PNCRSEBCHKMKPJ-LBPRGKRZSA-N 449.817 4.060 5 20 IIBD Cc1nc(/C=C/c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)nc(O)c1CC(=O)O 504734316 YBFPCJUFSLZCMO-YCRREMRBSA-N 425.372 4.128 5 20 IIBD CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 504912442 WHELZUYDQALPTQ-WBVHZDCISA-N 437.587 4.067 5 20 IIBD O=C(Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1)c1ccc([N+](=O)[O-])cc1Br 505174047 YKDILGJRMHHQNI-MSOLQXFVSA-N 435.274 4.292 5 20 IIBD C[C@H]1CCCCN1C[C@H]1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 505914384 YREKQZMFTGRKNC-DLBZAZTESA-N 428.558 4.445 5 20 IIBD O=C(Nc1cccc(COc2ccc(F)cc2)c1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 506759365 TZDBMXBIUIVRRB-UHFFFAOYSA-N 427.363 4.029 5 20 IIBD O=C(NC1CCC(C(=O)O)CC1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 507328769 JBSMWXRHZJNNIA-UHFFFAOYSA-N 431.876 4.234 5 20 IIBD C[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccc(F)c(Br)c1 507719832 CLLPDPTXDSHZKP-LLVKDONJSA-N 433.237 4.173 5 20 IIBD Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(=O)c2ccc(Cl)cc2)CC1 508413703 AKSWUFVLDYRDLL-UHFFFAOYSA-N 425.876 4.143 5 20 IIBD COc1ccc(CSCC(=O)NCc2ccc(F)cc2Br)cc1[N+](=O)[O-] 509548596 ITFRWPMPXDSCON-UHFFFAOYSA-N 443.294 4.055 5 20 IIBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccc(Cl)c(Br)c1 509870671 DWUXUXHGWOBDBE-UHFFFAOYSA-N 427.638 4.424 5 20 IIBD Cc1c(Br)cc(C(=O)N2CC[C@@H](COCc3ccccc3)C2)cc1[N+](=O)[O-] 510025341 CGVMEIALJLZMRO-MRXNPFEDSA-N 433.302 4.345 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1n[nH]c(-c2ccccc2Cl)n1 515243539 CPHHYFBBILBCJO-UHFFFAOYSA-N 429.867 4.232 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CC(=O)NC(c2ccccc2)c2ccccc2)c1 515417805 CNDNFELJVBPMOB-UHFFFAOYSA-N 449.532 4.295 5 20 IIBD C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(OCC(F)(F)F)cc1 517946516 MVPBOHGSGZXICE-JTQLQIEISA-N 438.811 4.229 5 20 IIBD CCn1c([C@H](C)NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)nc2ccccc21 518577163 OAAJDCXUGOHANL-INIZCTEOSA-N 446.511 4.317 5 20 IIBD Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)[nH]c2c1 519937271 BWXRRPPGJDCMBT-FQEVSTJZSA-N 430.468 4.157 5 20 IIBD COc1cc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc(I)c1OC 520955691 HYMQZEVYOLLMIL-LLVKDONJSA-N 442.253 4.067 5 20 IIBD CC[C@H](C)C(=O)Nc1cccc(CNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1 521188740 SSFAZMNTKYLMGW-LBPRGKRZSA-N 439.921 4.020 5 20 IIBD C[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(OCc2cccnc2)cc1 521382048 WOWMEGBURXEDSA-KRWDZBQOSA-N 443.463 4.246 5 20 IIBD CNc1ccc(C(=O)Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)cc1[N+](=O)[O-] 523366362 IDOCRELTCQABNO-UHFFFAOYSA-N 444.491 4.411 5 20 IIBD Cc1ccc(C[C@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c2ccccn2)cc1 523712786 HNBYOPWFXTXEDW-QHCPKHFHSA-N 427.464 4.198 5 20 IIBD COc1cc(OCC(=O)Nc2c(C)cnn2[C@H]2CCCc3ccccc32)ccc1[N+](=O)[O-] 524375731 XWWVUKCBLPXPOH-IBGZPJMESA-N 436.468 4.052 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cccc(C[S@@](C)=O)c3)cc2[N+](=O)[O-])C1 524546852 TVOBYMUPXMOSAM-OXVFITQMSA-N 429.542 4.208 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccccc1COc1ccccc1Cl 525092068 PWXSHYWWQQPJTH-UHFFFAOYSA-N 428.876 4.039 5 20 IIBD C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 533063507 JWZRZKDNJDQRNS-INIZCTEOSA-N 439.491 4.026 5 20 IIBD C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 533379045 SWNFWKYNQHZIAA-DYESRHJHSA-N 431.496 4.490 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCSC[C@@H]1c1ccc(Cl)cc1 533439181 HCGFIPRGDFDFMA-GOSISDBHSA-N 433.917 4.336 5 20 IIBD CCCCN(CC(F)(F)F)C(=O)c1cc(I)cc([N+](=O)[O-])c1 534286213 HPDAAMGYABOKNV-UHFFFAOYSA-N 430.164 4.004 5 20 IIBD CC(=O)N1CC[C@@H](CN(C)C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1 535107211 QHXJZKBJUFIQGI-HNNXBMFYSA-N 447.944 4.340 5 20 IIBD Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)n([C@@H]2C[C@H]3CC[C@H]2C3)n1 537144475 STRNSWYUIXPYTC-RVSPLBMKSA-N 433.306 4.405 5 20 IIBD C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1c(F)cccc1Cl 537177908 CWGUAGSHASHUQH-VIFPVBQESA-N 430.661 4.439 5 20 IIBD CCOC(=O)c1sc2[nH]c([C@@H](C)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)nc(=O)c2c1C 537178556 NVMGFTSKMQBAKE-CHWSQXEVSA-N 444.513 4.098 5 20 IIBD COc1ccc(C)cc1-n1ccc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)n1 538252469 XHTBYDKXXUTLKI-UHFFFAOYSA-N 449.492 4.498 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(OC)c(NC(C)=O)c1 539633347 DUNRIQHSCZBGEQ-UHFFFAOYSA-N 431.514 4.384 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O 540457001 SOOFFMUTLNKNKL-KRWDZBQOSA-N 433.917 4.284 5 20 IIBD Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 541371244 SQAZZSIJZAPSRT-UHFFFAOYSA-N 430.424 4.269 5 20 IIBD CCCNC(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 541662240 DYALKANKFOPBHJ-UHFFFAOYSA-N 433.574 4.256 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@@H](CCc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 542105060 FNHBCBYISBWRLN-FQEVSTJZSA-N 433.464 4.032 5 20 IIBD Cc1cc(F)ccc1-n1ccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)n1 542117120 DHNVFDTWEVCWHC-UHFFFAOYSA-N 436.365 4.433 5 20 IIBD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)Nc3ccc([N+](=O)[O-])cc3F)ccc21 544675762 UVNONVRCHNVGCZ-UHFFFAOYSA-N 427.436 4.201 5 20 IIBD Cc1sc2nc(Cc3noc(/C=C\c4ccc(F)cc4[N+](=O)[O-])n3)nc(O)c2c1C 544912854 WZMVJVQBVCXEOY-XQRVVYSFSA-N 427.417 4.205 5 20 IIBD COc1cc(-c2noc([C@@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)ccc1OCCN(C)C 545572522 CBSYJZRIZISDBB-CQSZACIVSA-N 444.513 4.447 5 20 IIBD CCc1cccc2c(C3CCN(S(=O)(=O)Cc4ccccc4[N+](=O)[O-])CC3)c[nH]c12 546799315 NQZVNAQIOOLDEK-UHFFFAOYSA-N 427.526 4.348 5 20 IIBD Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 546928144 NYKJRXNMCDYQKR-LJQANCHMSA-N 444.495 4.280 5 20 IIBD COc1cc(Cc2noc(-c3ccc4c(c3)nc(O)n4C3CCCC3)n2)ccc1[N+](=O)[O-] 547197324 MKJOEUKOMDBTRN-UHFFFAOYSA-N 435.440 4.415 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1ccc2nnc(C3CCC3)n2c1 549286640 ALSIXPNYZCORDX-UHFFFAOYSA-N 434.378 4.246 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccc(OC(F)F)cn2)cc1[N+](=O)[O-])c1ccccn1 554299928 SOAFGVBKKMXOIW-LBPRGKRZSA-N 429.383 4.412 5 20 IIBD CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 555365243 JXSRTYPPKOQJQF-HXUWFJFHSA-N 425.464 4.226 5 20 IIBD CC(C)[C@H](NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(Cl)cc1 555896280 LXSHTLHVLOMTDJ-FQEVSTJZSA-N 429.904 4.253 5 20 IIBD CNC(=O)c1cc(Oc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)ccn1 557793909 ALVGZJCXKUTZPR-UHFFFAOYSA-N 426.816 4.047 5 20 IIBD O=C(NCc1ncn(-c2ccccc2)n1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 564043135 KYIGHDXPRYBDGV-UHFFFAOYSA-N 431.477 4.257 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 566709157 FOBSRULBHHVCMK-NRSPTQNISA-N 432.904 4.402 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCc1ccc2c(c1)nc(C1CC1)n2C 566941423 IYUFEOUTDZPDRJ-UHFFFAOYSA-N 443.301 4.360 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2C)ccc1C 603501483 QYHBBYHHFOPHBR-QGZVFWFLSA-N 445.541 4.335 5 20 IIBD O=C(c1ccccc1SCc1cccs1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 603571275 NURGERWCLJFRTD-UHFFFAOYSA-N 440.550 4.306 5 20 IIBD Cc1ccc2c(C3=CCN(C(=O)c4nnn(-c5cccc([N+](=O)[O-])c5)c4C)CC3)c[nH]c2c1 603674504 IBFYKOHZRMOIAM-UHFFFAOYSA-N 442.479 4.203 5 20 IIBD COc1ccc(-c2nc(NC(=O)CN(C)Cc3ccccc3[N+](=O)[O-])sc2C)cc1 603873899 PYAJZXCHFILCER-UHFFFAOYSA-N 426.498 4.106 5 20 IIBD O=C(CC1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1)N1CCCC1 603904650 KTTUKTFDPXMWSE-UHFFFAOYSA-N 436.512 4.203 5 20 IIBD COc1cc(OC)c(C2CCN(CCCOc3ccc([N+](=O)[O-])cc3)CC2)c(OC)c1 604082186 UHLIOPUYKBEVHW-UHFFFAOYSA-N 430.501 4.269 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](c1ccc(Cl)cc1)c1cccs1 608877793 WVTSHEMFXIDQCM-BFUOFWGJSA-N 443.912 4.334 5 20 IIBD O=C(NCC1CCC(c2ccccc2)CC1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 609505326 XHKCOCCTIQFBIG-NKELODKYSA-N 441.553 4.351 5 20 IIBD CC(C)c1cccc(NC(=O)CSCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c1 609770657 GXXQMGWTHUMWCU-UHFFFAOYSA-N 429.498 4.388 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 609857568 WYWAVDWVRHJXAQ-UHFFFAOYSA-N 440.681 4.078 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccccc1N(C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 609941866 RDXXIKPVFMOBPW-QGZVFWFLSA-N 432.480 4.047 5 20 IIBD COc1ccc([C@@H](C)CCNC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 610185887 WNYBPBIQKZUEHX-INIZCTEOSA-N 436.512 4.389 5 20 IIBD COc1ccc(NC(=O)CN2CCC[C@@H]2c2ccccc2Br)c([N+](=O)[O-])c1 610676195 DVINLMNMUDXXLU-QGZVFWFLSA-N 434.290 4.142 5 20 IIBD O=C(O)c1ccc2[nH]c3c(c2c1)CN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])CC3 617715377 NNAWDBZPACGQCS-UHFFFAOYSA-N 445.884 4.105 5 20 IIBD CC[C@H](C)n1ncc2c(C(=O)OCc3nc(-c4ccc([N+](=O)[O-])cc4)no3)cc(C)nc21 725960370 SWNJCLJAAHGHMF-ZDUSSCGKSA-N 436.428 4.026 5 20 IIBD COc1cccc(NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)c1 727283855 RECZFSDPZHKGLH-UHFFFAOYSA-N 440.447 4.141 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)/C=C\c1cccc(OC2CCCC2)c1 727887221 QDQJEHJHYXKILZ-XFXZXTDPSA-N 440.452 4.120 5 20 IIBD COc1ccc([C@@H](OC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)n2cccn2)cc1 729801474 BHQSKQVPBPERFD-ZHRRBRCNSA-N 447.451 4.145 5 20 IIBD C[C@H](OC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)c1cccc([N+](=O)[O-])c1 729846718 CQQSAWVZTZNGNG-LBPRGKRZSA-N 441.490 4.399 5 20 IIBD NC(=O)CN(Cc1ccccc1)c1cccc(Nc2nc3ccc([N+](=O)[O-])cc3s2)c1 731210024 JSPJGULJICVROS-UHFFFAOYSA-N 433.493 4.440 5 20 IIBD C[C@H](Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)C(=O)Nc1ccccc1[N+](=O)[O-] 732228117 JFRDRFVKPZKPGA-HNNXBMFYSA-N 440.500 4.327 5 20 IIBD CC(C)Oc1ccc(CCCOC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 732496796 IGXPOVWIHWBRAL-SFHVURJKSA-N 446.525 4.224 5 20 IIBD CN(C(=O)COC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1)c1ccc([N+](=O)[O-])cc1 732855038 TYOKKCLSGZEWQS-UHFFFAOYSA-N 442.374 4.485 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccccc2NC(=O)c2cccc(C)c2)cc([N+](=O)[O-])c1 736194787 DGMRUZKIDLHLPF-UHFFFAOYSA-N 433.420 4.194 5 20 IIBD Cc1cc(C(=O)COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1nccs1 740394291 DRGJSAUSCILUOJ-UHFFFAOYSA-N 427.482 4.163 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1cccc(-c2cnn(C)c2)c1 741517887 LEUPUJDOGFCXFT-UHFFFAOYSA-N 446.467 4.096 5 20 IIBD CC(C)(C)c1ncc(/C=C\C(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)s1 744089752 ADIFNJVHVKLJKS-ALCCZGGFSA-N 430.530 4.217 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cc(NC(=O)CC(C)C)ccc1Cl 745171870 ONQJKVWARNGILI-UHFFFAOYSA-N 447.875 4.337 5 20 IIBD COc1ccc(-c2ncc(C(=O)OCc3nc(-c4ccc([N+](=O)[O-])cc4)no3)s2)cc1 745559415 WQMJAPCLYVKENK-UHFFFAOYSA-N 438.421 4.134 5 20 IIBD O=C(/C=C\c1ccc(I)o1)OCc1cc(Cl)ccc1[N+](=O)[O-] 746058369 IHWBWBQJNSLSDW-UTCJRWHESA-N 433.585 4.202 5 20 IIBD CC(C)C(=O)Nc1ccc(C(=O)COC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 747118082 AGSWJCQBSGWPCZ-UHFFFAOYSA-N 438.358 4.248 5 20 IIBD O=C(Nc1cc2c(cc1NC(=O)c1cc([N+](=O)[O-])ccc1F)OCCO2)c1cccs1 747314472 PVDREKMMPVEDOV-UHFFFAOYSA-N 443.412 4.071 5 20 IIBD Cc1c(C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748948518 CJZPWWJSEJWOQL-UHFFFAOYSA-N 442.211 4.222 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCc1ccnc(Oc2ccc(F)cc2)c1 749442207 JSYDNYINUWAEJL-UHFFFAOYSA-N 442.359 4.228 5 20 IIBD COC(=O)[C@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])Cc1cccc2ccccc12 749995465 AJZZFGMGELIXOQ-INIZCTEOSA-N 426.856 4.163 5 20 IIBD COC(=O)c1sc2ccccc2c1S(=O)(=O)Oc1cc([N+](=O)[O-])ccc1Cl 751466734 BBUFDHOSESUYPR-UHFFFAOYSA-N 427.843 4.017 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)C(=O)c1ccc2c(c1)CCC2 751691569 UFWXZHWQXNAHFI-JTQLQIEISA-N 436.233 4.413 5 20 IIBD CCCc1c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cnn1C1CCCC1 751843559 AEIUHTOCJQILTQ-UHFFFAOYSA-N 434.880 4.308 5 20 IIBD C[C@H](OC(=O)c1c(F)ccc([N+](=O)[O-])c1F)C(=O)N(c1nccs1)C1CCCCC1 752564766 HLPDNOJHRIZBMS-NSHDSACASA-N 439.440 4.241 5 20 IIBD CCOc1cc(/C=C/c2ccc([N+](=O)[O-])cn2)ccc1OCCn1c([N+](=O)[O-])cnc1C 753147618 QMXCXJXOCLAASH-GQCTYLIASA-N 439.428 4.051 5 20 IIBD CCOc1cc(COC(=O)CCc2nc(-c3ccc(C)c(F)c3)no2)ccc1[N+](=O)[O-] 755531436 ROGUIXKFZNDZGI-UHFFFAOYSA-N 429.404 4.167 5 20 IIBD CCOc1cc(COC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)ccc1[N+](=O)[O-] 755534744 DTFDTBBGWUIWHZ-MRXNPFEDSA-N 445.447 4.120 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CCC(=O)c1cc(Cl)sc1Cl 756615516 GSIBIJHRLFIPQW-UHFFFAOYSA-N 445.280 4.416 5 20 IIBD C[C@@H](OC(=O)Cc1c(F)cccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 756630119 AVSDDMOWEWYLED-SECBINFHSA-N 432.301 4.005 5 20 IIBD C[C@@H]1CN(c2ccc(NC(=O)NCc3cc([N+](=O)[O-])ccc3Cl)cc2F)C[C@@H](C)O1 756816090 TYCXBJUXXXSGMQ-CHWSQXEVSA-N 436.871 4.323 5 20 IIBD C[C@H]1CN(Cc2ccccc2NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C[C@H](C)O1 757199671 JIQHNNBWQHNOBJ-GJZGRUSLSA-N 432.908 4.179 5 20 IIBD COc1ccc2c(c1)CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H](c1ccccc1)C2 759470028 PLOJDJBVBQOIBW-JOCHJYFZSA-N 433.420 4.451 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 760464563 JRHISLYFXJHKQC-UHFFFAOYSA-N 438.396 4.115 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@@H](C)c2noc(Cc3ccccc3)n2)CC1 760598494 XLTNERNVJZBHFN-KRWDZBQOSA-N 449.511 4.296 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(-c3nc(-c4ccnc(-n5ccnc5)c4)no3)cc2[N+](=O)[O-])C1 762049584 QHOBBKMHNJXMSL-IYBDPMFKSA-N 445.483 4.375 5 20 IIBD O=C(c1ccccc1)c1ccc(N2CCOC[C@@H]2C[C@H](O)c2ccccc2)c([N+](=O)[O-])c1 763377076 CPDDQWWAVLTEDD-URXFXBBRSA-N 432.476 4.155 5 20 IIBD O=C(Nc1ccccc1CS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])c(Cl)c1 764237749 SSMOFGZNJDQRFT-UHFFFAOYSA-N 430.869 4.474 5 20 IIBD Cc1ncc2c(n1)CCC[C@@H]2Nc1ccc([N+](=O)[O-])c(N[C@@H]2CCCc3nc(C)ncc32)n1 764835355 QHBBFXXEDYGNJP-VQTJNVASSA-N 446.515 4.166 5 20 IIBD CC(C)(C)C(=O)Nc1ccc(C(=O)COC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 766220561 AUIPCRQNIPYSBV-UHFFFAOYSA-N 435.436 4.167 5 20 IIBD CCN(C(=O)COC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@H](C)c1ccc(F)cc1 766223956 JJBSMQSTBHAEHF-CQSZACIVSA-N 425.416 4.049 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 767881137 FMDJHASJIZCUGY-HNNXBMFYSA-N 437.418 4.440 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 767959516 DEKHDFGAAQZDPL-INIZCTEOSA-N 443.525 4.485 5 20 IIBD CC(C)(C)OC(=O)NCC1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 768346035 YBXIICPJMBHBCE-UHFFFAOYSA-N 432.546 4.455 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)cs1 770282020 IDUYIUNBUKDTKV-CYBMUJFWSA-N 438.474 4.154 5 20 IIBD O=C(Nc1ccc(OCc2cccnc2)c(Cl)c1)c1cc([N+](=O)[O-])c2nsnc2c1 771511273 SORWDKKQKZFEPH-UHFFFAOYSA-N 441.856 4.479 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CCC[C@@H](C[C@H]2CCOC2)C1 773932825 MEJSSPDKOINBJA-NWDGAFQWSA-N 431.714 4.290 5 20 IIBD CCc1nc(CC(=O)O[C@@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])cs1 774366594 BROHQPNQHQDITE-INIZCTEOSA-N 427.320 4.350 5 20 IIBD C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F 777120876 CCJFTNDSLKRZAR-XIKOKIGWSA-N 445.825 4.005 5 20 IIBD CC(=O)c1cc(C(=O)OCCOc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c(C)nc1C 777298584 UZFFYEYBJYBUCM-UHFFFAOYSA-N 426.347 4.064 5 20 IIBD COc1ccc([C@@H](CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)N2CCCCC2)cc1 777889586 XBNFIDSYTGUKJJ-HXUWFJFHSA-N 433.455 4.039 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 778720673 WARNNPYGTHUFIJ-HIFRSBDPSA-N 446.529 4.094 5 20 IIBD Cc1ccccc1-c1noc([C@@H](C)OC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 781738360 VSOMEKAAXFANDE-CYBMUJFWSA-N 426.385 4.098 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 782524454 RSEAUXBSEQVXQY-ZDUSSCGKSA-N 431.802 4.010 5 20 IIBD CC(C)[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1F 783344524 GTABMEUJYUYIIX-MRXNPFEDSA-N 428.247 4.493 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCN(c3ccc(C)cc3)CC2)c1=S 784014212 QKWGACAKYFTVOL-UHFFFAOYSA-N 438.557 4.097 5 20 IIBD CC(C)c1ccc(C(=O)NCc2ccc(N(C)C(=O)c3ccncc3)cc2)cc1[N+](=O)[O-] 784110164 BXZUNWRXEQJGTO-UHFFFAOYSA-N 432.480 4.320 5 20 IIBD Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1 786931584 SANOAQMIEWIVKG-JOCHJYFZSA-N 430.464 4.407 5 20 IIBD COc1ccc(OCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1[N+](=O)[O-] 790512973 FEZLSUDPDBCPCA-MRXNPFEDSA-N 449.463 4.112 5 20 IIBD O=C(NCc1coc2ccccc12)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 790735696 SGEBBLSSRVCACY-UHFFFAOYSA-N 430.258 4.371 5 20 IIBD COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 793066597 RDRXBTLRDZYBLE-IBGZPJMESA-N 447.919 4.330 5 20 IIBD COc1cc(C(=O)OCCc2cncn2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 793250559 PUWHWFREWLSDCK-UHFFFAOYSA-N 431.832 4.182 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 795095875 CAILJXCJZGGVON-QGPMSJSTSA-N 443.504 4.037 5 20 IIBD CN(Cc1c(F)cccc1Cl)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O 795403880 DHTITGSWIFWOFI-UHFFFAOYSA-N 442.672 4.195 5 20 IIBD Cc1cc(OCc2nc(-c3ccc(-n4cnc5ccccc54)nc3)no2)ccc1[N+](=O)[O-] 797405401 UWTOKHNRXDYYFK-UHFFFAOYSA-N 428.408 4.266 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(C)[C@H](C)c1ccc(C(F)(F)F)cc1 800602053 KVGDQXCRMQFBJF-LLVKDONJSA-N 427.354 4.219 5 20 IIBD Cc1c(C(=O)Nc2ccc(Br)c3cccnc23)cc([N+](=O)[O-])cc1[N+](=O)[O-] 801057369 DFSLYYBHUKMLMA-UHFFFAOYSA-N 431.202 4.374 5 20 IIBD CC(C)c1cccc(-n2cc(O)c(C(=O)OCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)n2)c1 801410195 HBLAHJUFNGUIFR-UHFFFAOYSA-N 449.423 4.017 5 20 IIBD CC[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1ccc(OC)c(OC)c1 804324317 DZLLSXFVXWJSMJ-CYBMUJFWSA-N 441.253 4.395 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cc(F)c(C(F)(F)F)cc1F 805592840 OADOHBATEWUDPJ-MRVPVSSYSA-N 448.300 4.084 5 20 IIBD CN(CC(=O)Nc1c(Cl)ccc2c1CCO2)c1cc(Br)ccc1[N+](=O)[O-] 808791561 CZEGPWQVPKGRBS-UHFFFAOYSA-N 440.681 4.021 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCc1cccc(-c2nc(CC(F)(F)F)no2)c1 810742203 BMEFCBRSFSLGKV-TWGQIWQCSA-N 432.358 4.079 5 20 IIBD O=C(O[C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811373088 PBYSVTDEWPGTFG-MRXNPFEDSA-N 427.215 4.217 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)CCc2cncs2)c2ccccc2)c([N+](=O)[O-])c1 814584402 BAFJZGZWPCZTHB-HXUWFJFHSA-N 425.466 4.216 5 20 IIBD COc1cc(C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)ccc1OCC(C)C 914796113 BQIVRPDXXVFGIC-UHFFFAOYSA-N 427.413 4.045 5 20 IIBD O=Cc1ccc(OCC(=O)N[C@@H](c2ccc(Cl)cc2)c2cccs2)c([N+](=O)[O-])c1 917177902 WOYCPEHOLDCQSG-FQEVSTJZSA-N 430.869 4.407 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ccc(-n3ccnc3)cc2)cc1)c1cccc([N+](=O)[O-])c1 918214026 QQBGDPFYUOSQCT-UHFFFAOYSA-N 428.404 4.252 5 20 IIBD Cc1c(COC(=O)[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)cccc1[N+](=O)[O-] 918993764 KNOMNBCILHHJMU-MHZGPWMTSA-N 428.529 4.304 5 20 IIBD COC(=O)c1cc(C(=O)NC2CCN(c3ccc(C(C)(C)C)cc3)CC2)cc([N+](=O)[O-])c1 919767628 LGKMMDMLCPLZOV-UHFFFAOYSA-N 439.512 4.078 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1OCc1nnnn1-c1ccc(Cl)cc1C(F)(F)F 920992297 TUBWSHYJCVXZPT-UHFFFAOYSA-N 434.161 4.475 5 20 IIBD O=[N+]([O-])c1ccccc1OCc1nnc(-c2ccn(-c3cccc(C(F)(F)F)c3)n2)o1 1257769319 NBGVMDDWBZXOQN-UHFFFAOYSA-N 431.330 4.428 5 20 IIBD COC(=O)[C@@H](OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)c1ccccc1Cl 1319125076 BNCKGWVJWGRBQH-AWEZNQCLSA-N 446.612 4.221 5 20 IIBD C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1320541465 VDJONFNFACSWRR-QGZVFWFLSA-N 446.548 4.035 5 20 IIBD Cc1ncc(Br)c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)n1 1322251953 IAZUVEZHXKDSFG-UHFFFAOYSA-N 434.275 4.140 5 20 IIBD Cc1cccc(CN2CCCC[C@@H]2C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 1323350759 KWPJDKOLYILOML-PGRDOPGGSA-N 439.512 4.137 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)C3(F)CCC3)CCC2)cc1 1785794752 DICVTXZENKQQPT-UHFFFAOYSA-N 425.460 4.164 5 20 IIBD O=C(/C=C/c1ccco1)Nc1ccc(C2(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)CCC2)cc1 1786915239 SMBRFLRLJNTQFZ-CMDGGOBGSA-N 447.447 4.355 5 20 IIBD Cc1n[nH]cc1C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])CCC2)cc1 1790122469 IPNGGTFJSOCBCD-KPKJPENVSA-N 445.479 4.087 5 20 IIBD C/C=C(\C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3C)sc2C1 1823706381 NRWXCLGFINPKLF-CFDVYZKQSA-N 448.932 4.205 5 20 IIBD O=C(c1ccccc1)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1824276297 PMIMXWDDJKYGDJ-ZUURVNMSSA-N 437.496 4.135 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)C2CCCC2)CC1 1826256256 UQPGTSVVUCVWPG-HXUWFJFHSA-N 443.544 4.032 5 20 IIBD COc1cccc(Nc2nnc(S[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])s2)c1 10267570 BEVOHIZDIVOGTM-LLVKDONJSA-N 431.499 4.318 5 20 IIBD O=C(COC(=O)COc1ccccc1-c1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] 10594156 RIJRBQNFZFRYEE-UHFFFAOYSA-N 440.839 4.476 5 20 IIBD O=C(Cc1ccccc1[N+](=O)[O-])NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 10908416 JCYVNFUQHLSNKF-UHFFFAOYSA-N 430.439 4.446 5 20 IIBD O=C(Nc1cc(Cl)c([N+](=O)[O-])cc1OCc1ccccc1)[C@H]1CC=CC[C@H]1C(=O)O 13467808 PPYZJSMJQWKTBI-LSDHHAIUSA-N 430.844 4.433 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(Cc2ccc(Cl)s2)CC1 15482277 MXMLCTHXBREVBK-ZDUSSCGKSA-N 433.921 4.239 5 20 IIBD COc1ccc2cc([C@H](C)C(=O)NCCc3cc(OC)c(OC)cc3[N+](=O)[O-])ccc2c1 16143764 MZMALOAKPBLNGW-HNNXBMFYSA-N 438.480 4.236 5 20 IIBD Cc1ccc(-c2cc(C(=O)OCc3ccc(C(N)=O)cc3[N+](=O)[O-])c3ccccc3n2)o1 16767661 ZMHSIQIBVGIRCM-UHFFFAOYSA-N 431.404 4.167 5 20 IIBD CCNc1ccc(C(=O)OCC(=O)N[C@@H](c2ccccc2)c2cccs2)cc1[N+](=O)[O-] 18171590 YGBOYVVWHIUGIT-NRFANRHFSA-N 439.493 4.151 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2C)cc1OC 18803183 BANWCILCDSEDHO-GFCCVEGCSA-N 436.848 4.148 5 20 IIBD CNc1ccc(C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)cc1[N+](=O)[O-] 25548716 RIKHGBGANYCBTN-UHFFFAOYSA-N 429.274 4.079 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 26897614 INYGXGPUCIIUHZ-OAHLLOKOSA-N 439.537 4.159 5 20 IIBD COCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)cn1 31237777 UZNXKDSAUXJPPZ-UHFFFAOYSA-N 439.424 4.068 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(COCc2ccccc2)cc1 32441737 JFCCQNYZEABVPF-UHFFFAOYSA-N 426.494 4.099 5 20 IIBD O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 216810263 CLGCPEDCBWXDMO-GOSISDBHSA-N 442.472 4.146 5 20 IIBD O=C(CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)N1CCCCC1 236568011 JKNNORJQUQUKLO-UHFFFAOYSA-N 436.306 4.110 5 20 IIBD C[C@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCN(c2ccccc2)CC1 237598039 ONOBUTLCHUYLFR-GOSISDBHSA-N 437.569 4.019 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1occc1CS(=O)(=O)c1ccccc1 248057075 OYTXEFVDQVKVCM-UHFFFAOYSA-N 448.884 4.087 5 20 IIBD CC(C)(C)Oc1cc(NC2CCN(CC(=O)Nc3ccccc3)CC2)ccc1[N+](=O)[O-] 301880552 LTVCBBIQJDUCKX-UHFFFAOYSA-N 426.517 4.287 5 20 IIBD CCn1c(SC[C@@H](O)COc2cccc([N+](=O)[O-])c2)nnc1-c1cccc(Cl)c1 302747604 RWTMTOQZPGYMQE-INIZCTEOSA-N 434.905 4.059 5 20 IIBD COc1cc(Cc2noc([C@H](C)[C@H]3OCCc4sccc43)n2)c([N+](=O)[O-])c(OC)c1 426606074 SXVBVTHEOYESPJ-NSPYISDASA-N 431.470 4.065 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1I 426869433 RLGYCNQMECUFTF-VIFPVBQESA-N 446.241 4.458 5 20 IIBD COc1ccccc1[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccco1 426958741 CJHLAQRMIMZNHT-QHCPKHFHSA-N 435.480 4.319 5 20 IIBD O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1 427896615 QZIYHBYUNKDTEI-VXKWHMMOSA-N 442.519 4.251 5 20 IIBD C[C@@H]1CCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCS1 427926241 WBMVDLZMKHIRAH-CYBMUJFWSA-N 433.917 4.468 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 429970566 WGJFTFIMPMPNQD-MRXNPFEDSA-N 435.274 4.170 5 20 IIBD CCN([C@H](c1cccnc1)c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 431890542 RZWNYYJLTSTUQL-NRFANRHFSA-N 447.463 4.377 5 20 IIBD CCN([C@@H](c1cccnc1)c1ccc(F)c(C)c1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 431914155 ZSPBSVUJFGMLCH-JOCHJYFZSA-N 443.500 4.379 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 432024130 JISQJKNLMKXEEZ-INIZCTEOSA-N 444.557 4.000 5 20 IIBD Cn1c([C@@H]2CCCN2C(=O)c2cc(Br)cc([N+](=O)[O-])c2)nc2ccccc21 432678910 NTFBELMVEJBGCD-KRWDZBQOSA-N 429.274 4.221 5 20 IIBD COc1cccc(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)c1[N+](=O)[O-] 435627342 MPCDYHBCRVJJCO-UHFFFAOYSA-N 430.848 4.358 5 20 IIBD Cc1cccc(O[C@@H]2CCCC[C@@H]2NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 435754494 XFHADNQZOWRVAD-RBUKOAKNSA-N 431.876 4.002 5 20 IIBD C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CCN1Cc1ccccc1 437459460 NMPYURFPPGXULK-HNNXBMFYSA-N 432.318 4.094 5 20 IIBD O=C(N=c1nc(-c2ccsc2)[nH]s1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444003402 NLEONBLBTVSNHY-UHFFFAOYSA-N 440.456 4.214 5 20 IIBD O=C(NCc1cccc(OCC(F)(F)F)c1)c1sc(Br)cc1[N+](=O)[O-] 444848499 LGZVUMPYPSZVJL-UHFFFAOYSA-N 439.209 4.290 5 20 IIBD COCCN(C(=O)Cc1ccc(F)c(F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 445662287 ALNTVMZRBNDJDF-UHFFFAOYSA-N 433.436 4.219 5 20 IIBD COC(=O)C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccc(C(F)(F)F)cc1 446483449 BYZMJNGBEKOTOC-INIZCTEOSA-N 425.363 4.348 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCC(OC[C@H]2CCCCO2)CC1 447682180 WFZFUVOWGXGCNF-CYBMUJFWSA-N 439.381 4.198 5 20 IIBD COC1CCC(N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CCc2ccccc2)CC1 460415567 JJHPQJIUUIIEMH-UHFFFAOYSA-N 435.528 4.490 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@H]3C3CCCCC3)n2C[C@@H]2CCOC2)c1 461583320 FMPILEKQBSMZLY-UWJYYQICSA-N 425.533 4.439 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1cccc(OC)c1)C[C@@H]1CCCO1 462494047 XAXBUVUHZDRNMO-REWPJTCUSA-N 426.513 4.380 5 20 IIBD O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 464196589 BXYYXISKYMYBDO-CQSZACIVSA-N 433.486 4.213 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)c1 466545745 SYNFDIBBAWHZHT-MRXNPFEDSA-N 429.267 4.022 5 20 IIBD Cc1ccc(Cl)c(N(Cc2cccnc2)C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)c1 466621925 WIVDGPIEQBFQHX-UHFFFAOYSA-N 427.892 4.388 5 20 IIBD COC(=O)COc1ccc(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c2ccccc12 467461344 XJFFZAQYGLENAN-UHFFFAOYSA-N 443.843 4.275 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 468586424 NKYSDTPZXGBMTJ-OAHLLOKOSA-N 434.290 4.083 5 20 IIBD C[C@H](C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C)c1ccc([N+](=O)[O-])cc1F 469493166 BZBADEVGUGUMRD-KPZWWZAWSA-N 427.398 4.275 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CC[C@H](CN(C)CC4CC4)C3)cc2[N+](=O)[O-])n1 470217526 GVXXMUMBYMNUES-MRXNPFEDSA-N 446.598 4.315 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCn3c(cc4c(Cl)cccc43)C2)cc1OC 470347965 YLYBVEXYASDCOH-UHFFFAOYSA-N 429.860 4.266 5 20 IIBD CCOc1cc(NC(=O)Nc2ccccc2O[C@H]2CCOC2)c([N+](=O)[O-])cc1OCC 470791235 FJBQQXBDFLNQHY-AWEZNQCLSA-N 431.445 4.204 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cc(Br)ccc2NC2CC2)cc([N+](=O)[O-])c1 471132843 YVOOOCQAHOYHJB-UHFFFAOYSA-N 448.273 4.361 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)cc1I 472917757 KGMQTUKZACXGOE-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O 476174596 XRHJMQSHSSYEIC-WOJBJXKFSA-N 446.507 4.248 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(OCc3ccccn3)c(F)c2)c1C 476392833 ZLBQTKLFTSNUQV-UHFFFAOYSA-N 431.445 4.126 5 20 IIBD CC(=O)N[C@@H](C)C1CCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 480758595 SMDAFDFDYIJEMX-HNNXBMFYSA-N 426.473 4.156 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCCc2ccc(OC(F)(F)F)cc2)cc1SC 482986140 NKVKGPWMPQAGTL-UHFFFAOYSA-N 430.404 4.196 5 20 IIBD Cc1cc(CN(C)C(=O)c2cc(C(=O)O)cc([N+](=O)[O-])c2)cc(C)c1OCC(F)(F)F 485655237 KTMLONIAAFDXOY-UHFFFAOYSA-N 440.374 4.123 5 20 IIBD C[C@H](NC(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1)c1ccc(NC(=O)Nc2ccccc2)cc1 485657544 BAFLDDOSBKOXEK-AWEZNQCLSA-N 448.435 4.428 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(Cl)cc2Br)c(C)c([N+](=O)[O-])c1 485967595 SLIWQZPHYLXMPM-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD COC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)c(C)c([N+](=O)[O-])c1 485982530 SUJWJFBBOBGFLZ-LSDHHAIUSA-N 433.258 4.195 5 20 IIBD CCc1c(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)nnn1Cc1ccc(F)cc1 486144906 CWEIDKUYKVJFOK-UHFFFAOYSA-N 437.353 4.207 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCCCC[C@H]2c2noc(C(C)C)n2)c(C)c([N+](=O)[O-])c1 486868061 LSNQQGHCJNVXEM-INIZCTEOSA-N 445.476 4.345 5 20 IIBD Cc1c(CC(=O)NC2(c3cccc(OC(F)(F)F)c3)CCOCC2)cccc1[N+](=O)[O-] 486901928 BNJIZJAUBASZAJ-UHFFFAOYSA-N 438.402 4.166 5 20 IIBD COC(=O)c1cc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(F)cc1F 487902785 AFRYMWLOEFOYKD-UHFFFAOYSA-N 433.289 4.000 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1cnn(Cc2ccccc2)c1 489031161 OHUPLRQEPDYDQK-MRXNPFEDSA-N 440.525 4.069 5 20 IIBD O=[N+]([O-])c1ccc(OCCCSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1 489444827 DRDQESFVICXBGM-UHFFFAOYSA-N 437.481 4.451 5 20 IIBD CC1(C)Cc2ccc(Br)cc2[C@H]1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 490597012 YXVRHSFKCOMGNV-QGZVFWFLSA-N 439.331 4.100 5 20 IIBD Cc1ccc(NC(=O)CSc2ccccc2[N+](=O)[O-])cc1S(=O)(=O)C1CCCC1 491272644 UQLDKUOHTIJHJF-UHFFFAOYSA-N 434.539 4.350 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2[nH]c3ccc(C)cc3c2C1 491533357 YNTJOXPMYXPTCB-HNNXBMFYSA-N 439.537 4.410 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])Nc1cccc(S(=O)(=O)C2CCCCC2)c1 491819020 FAZKCSVXDXSHJC-UHFFFAOYSA-N 434.539 4.432 5 20 IIBD CCOC(=O)[C@H]1CCCc2sc(NC(=O)[C@@H](CC)Cc3ccc([N+](=O)[O-])cc3)nc21 493859852 DEVLYMKBGZOWGL-HOCLYGCPSA-N 431.514 4.242 5 20 IIBD CN(CC(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCCO1)c1ccccc1[N+](=O)[O-] 494223449 MNWIPTNYLIFQLY-MRXNPFEDSA-N 433.892 4.271 5 20 IIBD Cc1ccc(C(=O)NC2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC2)s1 497330896 FQMVEWQPTDKSNN-UHFFFAOYSA-N 429.523 4.214 5 20 IIBD CC(C)n1c([C@H]2CCCN(c3cccc(S(C)(=O)=O)c3[N+](=O)[O-])C2)nc2ccccc21 497551401 HCSVVZLMMQNSFF-INIZCTEOSA-N 442.541 4.313 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)[C@H](C)c1ccccc1C(F)(F)F 499437790 GFUZTVVMRCREOG-MJBXVCDLSA-N 437.418 4.040 5 20 IIBD COc1ccc(-c2noc(CCC(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)n2)cc1 499487525 TUHSUHGZBSORLN-UHFFFAOYSA-N 436.346 4.244 5 20 IIBD O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@H](c2cccc(Br)c2)C1 500272681 ZSSBVFCAXAAZMZ-INIZCTEOSA-N 425.666 4.224 5 20 IIBD Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCCN1Cc1ccc([N+](=O)[O-])cc1F 501772556 SFQSQNQGEXIAKD-NRFANRHFSA-N 428.439 4.249 5 20 IIBD Cc1cnc(O)n1-c1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 501795986 MDPJEUAKKZJMOX-UONOGXRCSA-N 444.875 4.093 5 20 IIBD CC[C@H](CSc1ccccc1[N+](=O)[O-])NC1CCN(CC(=O)Nc2ccccc2)CC1 504895594 VEQZOAXKKQJTII-GOSISDBHSA-N 442.585 4.158 5 20 IIBD O=[N+]([O-])c1cc(CNCc2nnnn2-c2ccccc2)ccc1Oc1ccccc1Cl 507946152 QJVLVBBYKTXXBQ-UHFFFAOYSA-N 436.859 4.306 5 20 IIBD COc1cc(CNc2ccc(Cn3ccnc3)cn2)ccc1OCc1ccc([N+](=O)[O-])cc1 508486219 BYSZERMCHPXZRK-UHFFFAOYSA-N 445.479 4.434 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O 509697975 NPVOVLRPRJLYJF-SFHVURJKSA-N 433.917 4.488 5 20 IIBD COc1ccc(NC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])cc1F 509921975 BLYHYIVZDJNIJE-UHFFFAOYSA-N 433.417 4.039 5 20 IIBD COc1cc(C(=O)NC[C@@H](c2ccccc2)N2CCc3sccc3C2)ccc1[N+](=O)[O-] 510817182 PYVFLZWSLALWSP-FQEVSTJZSA-N 437.521 4.194 5 20 IIBD COC1CN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2cccc([N+](=O)[O-])c2)CCC3)C1 511291635 HOGIECSOHSXXLC-ATVHPVEESA-N 429.476 4.491 5 20 IIBD O=C(NC[C@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1)c1ccccc1 513042169 VTGZNRBZYBZKJO-QGZVFWFLSA-N 436.537 4.360 5 20 IIBD COc1ccc(CN2CC[C@@H](N3CCCCC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 513750411 HQBLWGUQCHNLIF-JOCHJYFZSA-N 425.529 4.243 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccccc3N3CCCC3=O)cc2[N+](=O)[O-])C1 514056162 YISLLTSFWIDSKY-CALCHBBNSA-N 436.512 4.456 5 20 IIBD COc1ccc(CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)cc1[N+](=O)[O-] 514562947 MQGBFZFUTITJRZ-KRWDZBQOSA-N 444.488 4.472 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCc2ccc(CN(C)C)cc2)cc1[N+](=O)[O-])c1ccccn1 516600360 MGWFVMCBXMWQOI-KRWDZBQOSA-N 433.512 4.155 5 20 IIBD CCCc1[nH]nc(C(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)c1[N+](=O)[O-] 521858587 YOKHTJSMZVIUBE-UHFFFAOYSA-N 444.495 4.395 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc([C@H](C)N2CCOCC2)cc1 522236634 VUHDIACQUARDCG-GJZGRUSLSA-N 433.892 4.047 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 522244543 XQMRGQPWUYIURB-UHFFFAOYSA-N 439.855 4.082 5 20 IIBD Cc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 523484144 RQRBGFJMTZEIED-GOSISDBHSA-N 449.301 4.479 5 20 IIBD Cc1ccccc1CN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 523488245 ZYPGTSWYEALRIH-UHFFFAOYSA-N 432.318 4.060 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(I)cc1Cl 524381237 UOCNYYGZXDSRKH-UHFFFAOYSA-N 430.629 4.125 5 20 IIBD C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)CCc2cccc([N+](=O)[O-])c2)c1 531022781 LLAPJWIWTGHRFX-INIZCTEOSA-N 442.491 4.118 5 20 IIBD Cc1sc2ncnc(N3CCC(C(=O)N(C)c4cccc([N+](=O)[O-])c4)CC3)c2c1C 533606013 GJPBSSOZVLSBDI-UHFFFAOYSA-N 425.514 4.096 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CS(=O)(=O)Cc3ncc(-c4ccc(F)cc4)o3)co2)cc1 534796461 LFRALSRRNSOZBQ-UHFFFAOYSA-N 443.412 4.159 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2ncnc3ccsc23)CC1 540454839 ZZUMZYISFWFDBU-UHFFFAOYSA-N 443.554 4.062 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@@H](c2ccc(F)c(F)c2)C1 544232052 KEHFOHXUVJCRMP-MRXNPFEDSA-N 428.844 4.219 5 20 IIBD COc1ccc(C(=O)C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cc1Cl 545475482 UMGJCACIFCXTBQ-UHFFFAOYSA-N 431.857 4.226 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(Cc3c[nH]c4cccc(Br)c34)no2)cc2c1OCO2 545782349 AUXOLOBDLRULSI-UHFFFAOYSA-N 443.213 4.208 5 20 IIBD C[C@]1(c2ccccc2)CN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CCO1 548699009 TXPIZCWIKUTRFI-RUZDIDTESA-N 434.442 4.347 5 20 IIBD CCn1c(COc2ccc(C)cc2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 549443150 JYGGWLYJUWWNKK-UHFFFAOYSA-N 437.500 4.141 5 20 IIBD Cc1ccc(Cl)cc1N1CC[C@H](CN[C@H](c2ccc([N+](=O)[O-])cc2)c2nccn2C)C1 556874233 ZXUBKPKFQOPWRX-VGOFRKELSA-N 439.947 4.496 5 20 IIBD CNC(=O)c1cccc(C(=O)N(CC(C)C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)c1 557572203 MTAUBYZMYVCXSI-UHFFFAOYSA-N 438.509 4.381 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c1 558829196 VWXBQTWHRLZRQE-OAHLLOKOSA-N 440.431 4.202 5 20 IIBD COc1ccccc1O[C@H]1CCCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 560790716 VWHCAXWWWHAWOX-HOCLYGCPSA-N 434.876 4.094 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1c(Cl)cccc1Cl)C1CC1 562150738 BKQDQGHNTROYQK-KRWDZBQOSA-N 438.267 4.116 5 20 IIBD CC[C@@H](c1cccc(OC)c1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 570480495 SJYVNRPLUBPCLO-INIZCTEOSA-N 432.420 4.394 5 20 IIBD O=C(c1cc(N2CCC(c3noc4cc(F)ccc34)CC2)ccc1[N+](=O)[O-])N1CCCC1 577908764 JSQZFBGBCFLCOQ-UHFFFAOYSA-N 438.459 4.495 5 20 IIBD COc1ccc([C@@H](Cc2ccccc2)NC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)cc1 578567704 RHXZJIPLILAXFZ-OAQYLSRUSA-N 435.480 4.395 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(OCc2cccc(F)c2)c1 580018180 WGVACIAHAIWGKM-UHFFFAOYSA-N 437.427 4.453 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CNC(=O)c2cccs2)cc1 581159269 WGVOYQLHXPBZFD-UHFFFAOYSA-N 425.466 4.237 5 20 IIBD COc1cnc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c(Br)c1 589082503 GJMONFQREQLZJR-UHFFFAOYSA-N 449.305 4.250 5 20 IIBD CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 604573104 LCULLLYEJZURJG-HXUWFJFHSA-N 440.496 4.193 5 20 IIBD COc1ccc(OC2CCN(C(=O)c3cc(SC)c(OC)cc3[N+](=O)[O-])CC2)cc1 609126527 CMCCJQVNBMCABF-UHFFFAOYSA-N 432.498 4.018 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N2CCC(c3ccc(F)c(F)c3)CC2)c([N+](=O)[O-])c1 609150028 KVJOAANCZRRLOK-UHFFFAOYSA-N 426.423 4.222 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(=O)n(Cc2ccccc2Cl)c1 609784048 IBIRLHFHUNZLQW-UHFFFAOYSA-N 432.263 4.293 5 20 IIBD COc1ccc(CCN(CC(C)(C)C)C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)cc1 610176146 XZBOCGDOPZBQLH-UHFFFAOYSA-N 430.501 4.352 5 20 IIBD Cc1ccc(Cn2cccc(NC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)c2=O)cc1 611098229 PZLUYOSKNHGHRD-UHFFFAOYSA-N 432.480 4.310 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccccc1C(=O)Nc1ccc(Cl)cn1 726530418 VGAKDRZKDJJXLH-UHFFFAOYSA-N 449.854 4.489 5 20 IIBD COc1ccc(CC(=O)Oc2ccc(Br)cc2Br)cc1[N+](=O)[O-] 727658767 CSKNAXSKEIZTQI-UHFFFAOYSA-N 445.063 4.277 5 20 IIBD CN(C(=O)Cc1ccc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1)c1ccccc1 727707774 GPXNFRMHIABGHQ-UHFFFAOYSA-N 425.391 4.331 5 20 IIBD O=C(COc1ccccc1C(=O)OCc1c(F)cccc1[N+](=O)[O-])Nc1ccccc1F 728986557 CWRIBIDIOTVILP-UHFFFAOYSA-N 442.374 4.248 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(I)c([N+](=O)[O-])c1 730469633 JGOKIVBHZPERFZ-UHFFFAOYSA-N 447.572 4.013 5 20 IIBD O=C(OCCN1C(=O)NCc2ccccc21)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 730935810 YEQBFCMCVVQGNI-UHFFFAOYSA-N 433.420 4.274 5 20 IIBD COc1cc(C(=O)Nc2ccc(SC(=O)N(C)C)cc2)c([N+](=O)[O-])cc1OC(F)F 731417989 CMKGJSPNZVQDQK-UHFFFAOYSA-N 441.412 4.231 5 20 IIBD CCC1=C(C(=O)OC)[C@H](c2cc([N+](=O)[O-])c(F)cc2F)NC(=O)N1Cc1cccs1 731431724 YQOLRARSARQKTM-KRWDZBQOSA-N 437.424 4.038 5 20 IIBD O=C(NCc1ccc(Br)cc1F)C1CCN(c2ccccc2[N+](=O)[O-])CC1 732028596 APZMVMZRKGXYAO-UHFFFAOYSA-N 436.281 4.029 5 20 IIBD COc1ccc(CCNC(=O)c2ccccc2N(C)C(=O)c2cc([N+](=O)[O-])ccc2C)cc1 732087866 HIICGUSTJAYRQG-UHFFFAOYSA-N 447.491 4.161 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1ccnc(-c2ccccc2)c1 732525569 MLSXYFPUZMMKGU-UHFFFAOYSA-N 434.271 4.220 5 20 IIBD O=C(OCc1ccc(OCc2cccnc2)cc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 733468424 KJUHQANIHQMPTM-UHFFFAOYSA-N 430.420 4.112 5 20 IIBD O=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1cc([N+](=O)[O-])ccc1N1CCCC1 734448529 NYWJFTJJEHUIDK-INIZCTEOSA-N 448.445 4.223 5 20 IIBD COc1ccc(CSCC(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)cc1[N+](=O)[O-] 735821410 DXAFFIGPUVWQAD-UHFFFAOYSA-N 425.850 4.345 5 20 IIBD COC(=O)[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)c1cccc(Cl)c1 740422389 JENRLEXGNYCFGE-CQSZACIVSA-N 428.622 4.082 5 20 IIBD COc1cc(C(=O)NC[C@@H](O)c2ccc(C)o2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 741302408 LHFUUXORPBBMGS-MRXNPFEDSA-N 446.843 4.414 5 20 IIBD C[C@@H](Oc1ccc(Cl)c(COC(=O)CCn2cc([N+](=O)[O-])cn2)n1)c1ccccc1 742224480 FBBNYURPTRMFSB-CQSZACIVSA-N 430.848 4.113 5 20 IIBD C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)no1 742938481 LQQULUGDVSJKFE-CYBMUJFWSA-N 441.875 4.389 5 20 IIBD O=C(OCc1ccccc1)N1CCO[C@H](c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 743053834 ZFOBSYWGPXZZQA-IBGZPJMESA-N 425.466 4.428 5 20 IIBD O=C(COC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@@H](c1ccccc1)C1CCCC1 744615095 QOYZWABUXWTFMP-DEOSSOPVSA-N 435.480 4.140 5 20 IIBD CC(C)c1ccc(C(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cc1 744645115 OUQJBJHDXAZPMP-YOEHRIQHSA-N 442.443 4.025 5 20 IIBD COc1ccc(OCCOC(=O)c2ccc(C)c(NC(=O)NC(C)(C)C)c2)c([N+](=O)[O-])c1 745093156 HXLFDHBUTVPVQB-UHFFFAOYSA-N 445.472 4.068 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(-c3cscn3)cc2)c(Br)c1 746671715 NSEDBUYAUCAIFQ-UHFFFAOYSA-N 441.284 4.249 5 20 IIBD Cc1nc(C)c(C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)o1 748206552 IXYYQQPLKUIHPE-SFHVURJKSA-N 429.816 4.390 5 20 IIBD O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccccc1Oc1cccnc1 749359002 OTUSUNHCGYCEIE-UHFFFAOYSA-N 434.452 4.251 5 20 IIBD Cc1c(C(=O)NCc2ccc(OC3CCCCC3)nc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 749806310 CHOJJAWLXZLNKL-UHFFFAOYSA-N 428.445 4.156 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CCc3cc(C(C)(C)C)ccc32)cc1[N+](=O)[O-] 749816990 YLOFWNYURYZREB-UHFFFAOYSA-N 437.525 4.375 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)O[C@@H](c1cccc(Cl)c1)C(F)(F)F 750215801 HGPKGOZJJWEPAB-HNNXBMFYSA-N 430.722 4.003 5 20 IIBD O=C(COC(=O)c1ccc(Br)cc1[N+](=O)[O-])Nc1cccc2ccccc12 750966510 TZGXOHQEAOGXRR-UHFFFAOYSA-N 429.226 4.306 5 20 IIBD C[C@H](OC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)Cc1cccc(F)c1 751637083 WMYUUTPNIHFGRE-LBPRGKRZSA-N 440.880 4.070 5 20 IIBD Cc1nc(C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)nn1-c1c(Cl)cccc1Cl 751659846 LWQWABZHXUIXOM-UHFFFAOYSA-N 448.222 4.289 5 20 IIBD C[C@H](OC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 752201316 MFMZRDDPBYMHQB-NSHDSACASA-N 449.341 4.453 5 20 IIBD Cc1nc(CC(C)C)c(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)s1 756545049 LTLZOVXXTJZIAZ-SNVBAGLBSA-N 425.894 4.396 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2cncc(-c3ccc(C)cc3)c2)c([N+](=O)[O-])c1 758090747 VARYXZVYYLNJOF-HNNXBMFYSA-N 435.436 4.158 5 20 IIBD O=[N+]([O-])c1ccc(-c2cnn(CN3CCO[C@H](c4cccc(OC(F)F)c4)C3)c2)cc1 758378100 YNTUBBONOASCFJ-FQEVSTJZSA-N 430.411 4.091 5 20 IIBD O=C(NC1CC1)c1ccc(NC[C@@H](O)c2cccc(OCc3ccccc3)c2)c([N+](=O)[O-])c1 760490443 AYVSJZHIANFILG-XMMPIXPASA-N 447.491 4.212 5 20 IIBD O=C(NCC[C@H](O)c1ccc(Cl)c(Cl)c1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 760693866 RVDJWGCZJSGKRX-KRWDZBQOSA-N 436.251 4.009 5 20 IIBD O=C(NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1(c2ccc(Cl)cc2)CCCCC1 762281313 PGTLBQBLIDRCTL-UHFFFAOYSA-N 436.917 4.096 5 20 IIBD Cc1cccc(C(C)C)c1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])c2nsnc2c1 762970329 KHSVVKFWYZHFNJ-LBPRGKRZSA-N 428.470 4.215 5 20 IIBD Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c1C 764156634 SXRLEOKZWHWAAH-KRWDZBQOSA-N 445.903 4.125 5 20 IIBD O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 765094193 FKLGKFRBXODPSI-UHFFFAOYSA-N 433.386 4.219 5 20 IIBD CCOc1ccc2ccccc2c1OC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 766860419 NORWMWWIIMPURR-UHFFFAOYSA-N 436.420 4.440 5 20 IIBD C[C@]1(c2ccc(Br)s2)NC(=O)N(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1=O 768362413 HEAXNMBQNCXMQO-OAHLLOKOSA-N 444.694 4.039 5 20 IIBD CN(C[C@H]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C 769334207 OEZKSSNUPQIYGO-CYBMUJFWSA-N 428.327 4.046 5 20 IIBD CSc1cc(C(=O)COC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)ccc1NC(C)=O 769891700 ZIJIMIKWFUNYQF-UHFFFAOYSA-N 430.482 4.240 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ncc(C2(O)CCCCC2)s1 773197280 XGOVAMBBNHQUEN-UHFFFAOYSA-N 433.533 4.402 5 20 IIBD CN(C)c1cc(F)c(C(=O)Oc2ccc(NC(=O)c3cccs3)cc2)cc1[N+](=O)[O-] 773733074 LIYVINGKFIRJCS-UHFFFAOYSA-N 429.429 4.333 5 20 IIBD COC[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1ccc(F)c(F)c1 774026582 XLBXYYLFSFQSDH-ZDUSSCGKSA-N 449.635 4.406 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1)CC2 774219891 QZTAKKLVISDIST-GOSISDBHSA-N 425.485 4.101 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCN(Cn3ncc4cc([N+](=O)[O-])cc(Cl)c43)C2)CC1 774637585 CDRJDTBAKFYYGG-UHFFFAOYSA-N 449.939 4.278 5 20 IIBD Cc1cc(C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)nn1-c1ccccc1Cl 776436882 WILJLRLKSFQONU-UHFFFAOYSA-N 439.815 4.149 5 20 IIBD O=C(Cc1csc(-c2cccs2)n1)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 778799930 RAVYBCJBAQGHAN-CQSZACIVSA-N 433.486 4.284 5 20 IIBD COc1cccc([C@@H](OC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c2ccncc2)c1 782454512 AUCHSDPJYMWEEU-QFIPXVFZSA-N 430.420 4.131 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])OCc1nnc(-c2cc3c(s2)CCCC3)o1 783062460 PGTRGYFXAWLDAX-UHFFFAOYSA-N 429.454 4.097 5 20 IIBD O=C(CCc1cccc(F)c1F)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791172344 NIZLORYDVPRVGE-UHFFFAOYSA-N 425.229 4.153 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1 795712279 LNJYGGGPBZCFEF-UHFFFAOYSA-N 425.191 4.021 5 20 IIBD Cc1cc([C@H](C)OC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)no1 798241747 SRMNFLXQYRQJCW-LBPRGKRZSA-N 427.379 4.431 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 800150052 YWORBGAAWPTNIL-CYBMUJFWSA-N 439.365 4.048 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)c1 800658044 HKAVEEZCUWQSGL-RBUKOAKNSA-N 425.485 4.036 5 20 IIBD O=C1C[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)CN1c1ccc(F)c([N+](=O)[O-])c1 801092307 MRWGBFGEKBFCSZ-IZBJGVDFSA-N 437.471 4.024 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(I)c1)c1cnc2ccsc2c1 801699898 HALIKMTUMSQIMA-UHFFFAOYSA-N 425.207 4.061 5 20 IIBD COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3cc([N+](=O)[O-])c(F)cc3N)s2)cc1 801902011 XHIJROOJPHQSIR-SNVBAGLBSA-N 430.461 4.248 5 20 IIBD COc1cccc(OC)c1Oc1ccc(CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])cn1 804359038 DMVRYQDAOLVDFC-UHFFFAOYSA-N 426.385 4.320 5 20 IIBD CC(=O)c1cc([N+](=O)[O-])ccc1NCCC(=O)N(C)Cc1ccccc1Br 804445632 JORNXOZWJPXIDF-UHFFFAOYSA-N 434.290 4.021 5 20 IIBD O=C(COc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 808056109 CWLKTHNMSWPFKO-KRWDZBQOSA-N 432.860 4.152 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)c(Cl)c1 809385200 TWPTWMKLPQAKOG-UHFFFAOYSA-N 427.605 4.231 5 20 IIBD COc1ccc(/C=C/C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1OC 811217546 TVEGQLQDEQEPFG-VQHVLOKHSA-N 426.450 4.492 5 20 IIBD CSc1cccc(C(=O)N2CCC([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1[N+](=O)[O-] 812352106 ZDLQQIVHNDKYPP-INIZCTEOSA-N 449.573 4.426 5 20 IIBD O=C(Nc1cccc(C(=O)N2CCSCC2)c1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 812953117 SWDWRECRJMEIBB-UHFFFAOYSA-N 440.308 4.343 5 20 IIBD O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813149001 ZEYZTSGAZYFYQH-AWEZNQCLSA-N 446.649 4.229 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CCCC1 816499239 JQIIFNIGJRASRB-MRXNPFEDSA-N 445.438 4.427 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCN(Cc2cccc3cccnc23)CC1 818913451 HMIFNRCNDIWJPC-UHFFFAOYSA-N 432.505 4.316 5 20 IIBD C[C@@H](OC(=O)CSc1ccccc1[N+](=O)[O-])C(=O)Nc1nc(-c2ccccc2)cs1 819015512 IKNYXOPMAKUIAR-CYBMUJFWSA-N 443.506 4.381 5 20 IIBD CC(=O)c1cccc(NC(=O)[C@@H](OC(=O)CSc2ccc([N+](=O)[O-])cc2)C(C)C)c1 876231925 KTNMCPAAMWBWBW-FQEVSTJZSA-N 430.482 4.096 5 20 IIBD COc1cc(C(=O)OCc2cc(-c3ccc(F)cc3)no2)c([N+](=O)[O-])cc1OC(F)F 915375402 UCWNVCRRJNLUPU-UHFFFAOYSA-N 438.314 4.356 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl 915663710 QHHNFXLUEDWELF-VIFPVBQESA-N 445.230 4.118 5 20 IIBD CCOC(=O)c1oc2ccccc2c1COC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 916618535 NQUWITULBAXHPB-UHFFFAOYSA-N 435.392 4.060 5 20 IIBD CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 917510480 XMYPZIDMMHFBFN-UHFFFAOYSA-N 440.433 4.481 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)nn1C(C)(C)C 918632131 CAJDBHDCBYTYOX-SFHVURJKSA-N 442.516 4.097 5 20 IIBD C[C@H](OC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1nc(O)c2ccccc2n1 919196728 ZGRVOWCBZNGIMB-JTQLQIEISA-N 437.330 4.103 5 20 IIBD O=C(COC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 919369437 KADHNUVAPRZNMZ-NXEZZACHSA-N 442.312 4.464 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)Oc2ccc(C(C)C)c(C)c2)c([N+](=O)[O-])c1 919409087 VDSPGGLAXYFICT-CVEARBPZSA-N 444.484 4.373 5 20 IIBD C[C@@H](OC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1)c1cccc([N+](=O)[O-])c1 919437164 GHOXOYNBOHTMSK-IVZQSRNASA-N 432.432 4.455 5 20 IIBD Cc1cc(O[C@@H](C)C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])ccc1Cl 919471663 UYPAFLRIVBXPQQ-NSHDSACASA-N 427.240 4.159 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(-n2cnc3ccccc32)cc1 921175945 GHXXIFXIFCPHKG-UHFFFAOYSA-N 430.420 4.038 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cc(F)ccc2NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] 1318425346 JHWDPHQVYPSZHJ-UHFFFAOYSA-N 425.438 4.190 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCCN3c4ccccc4CC[C@@H]3C)cc2)c(C)c1[N+](=O)[O-] 1319114746 FRQHDPSNJCKTKF-KRWDZBQOSA-N 447.539 4.028 5 20 IIBD CNS(=O)(=O)c1ccc(C)c(NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c1 1327874606 GSPLEVXIRCLYLW-UHFFFAOYSA-N 435.889 4.337 5 20 IIBD O=C(COC(=O)C1(Sc2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1340992949 UUXKXISSGQYYMQ-UHFFFAOYSA-N 440.399 4.420 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1)c1ccc2c[nH]nc2c1 1788446662 GFXPYYFBCWRFFZ-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]3C3CC3)CCC2)cc1)c1ccc(O)c([N+](=O)[O-])c1 1790617621 XTFNUUDQJMTGGY-MOPGFXCFSA-N 435.480 4.094 5 20 IIBD C[C@H]1C[C@]1(C)C(=O)NC1(c2ccc(NC(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2)CCC1 1790827675 MLYGWLFCMZSOCA-PSLXWICFSA-N 447.495 4.265 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)NC1(c2ccc(NC(=O)[C@H]3CCCS3)cc2)CCC1 1792008864 IXWVWYWCTKWJRD-HXUWFJFHSA-N 439.537 4.167 5 20 IIBD C[C@@H]1C[C@]1(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 1799950572 FDJPLRSRLJGQDO-HOMUEIIFSA-N 427.526 4.107 5 20 IIBD O=C(CC(F)(F)F)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 1801207502 PLTLMIKDHBBHDA-CLLJXQQHSA-N 441.431 4.014 5 20 IIBD CC[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)C3)CC1 1802025763 FHBXBDJRJZTVGQ-FWIIZBITSA-N 445.535 4.131 5 20 IIBD COc1cc(C(=O)OCC(=O)Nc2cccc3ccccc23)c([N+](=O)[O-])cc1OC(F)F 10209045 DZBKRZDEAHYKQD-UHFFFAOYSA-N 446.362 4.154 5 20 IIBD C[C@@H](OC(=O)CCNc1ccccc1[N+](=O)[O-])C(=O)N(c1nccs1)C1CCCCC1 11366739 IFNQLYOVYCSKNG-OAHLLOKOSA-N 446.529 4.151 5 20 IIBD COc1cc(CCNC(=O)COc2ccc(Cl)c3ccccc23)c([N+](=O)[O-])cc1OC 16143964 FCSWNCXWYQQWJB-UHFFFAOYSA-N 444.871 4.156 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(F)cc(F)c3)cc2)cc1[N+](=O)[O-] 16305414 XVFXRSGGTDKZGH-UHFFFAOYSA-N 447.419 4.235 5 20 IIBD CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 18092644 NRQPAVFENMXYPE-UHFFFAOYSA-N 439.921 4.148 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=S)Nc1ccc([N+](=O)[O-])cc1 18143001 GATHHHLYVKZKOJ-UHFFFAOYSA-N 442.457 4.160 5 20 IIBD O=C(COC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccccc1[N+](=O)[O-] 21789535 CVXKANUNIILIGV-UHFFFAOYSA-N 429.816 4.018 5 20 IIBD C[C@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)Nc1ccccc1[N+](=O)[O-] 22253889 UXGHIGBZJNMBPM-ZDUSSCGKSA-N 434.477 4.114 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccc1 71810010 SOBUOGYVLZWURX-IBGZPJMESA-N 425.485 4.008 5 20 IIBD O=C(Nc1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1I 72068320 OQYKSFFNSOEWFP-UHFFFAOYSA-N 436.127 4.471 5 20 IIBD C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(Cc2csc(-c3ccc(Cl)cc3)n2)C1=O 97336405 MFBDQRGWHBUWQJ-FQEVSTJZSA-N 442.884 4.339 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2cccc(-c3nncn3C)c2)cc1[N+](=O)[O-])c1ccccn1 108782209 KNHARVHYXREAFL-OAHLLOKOSA-N 443.467 4.211 5 20 IIBD CN(CCC(F)(F)F)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 108860819 UQSXDVWISBSVMJ-UHFFFAOYSA-N 427.345 4.241 5 20 IIBD O=C(COC(=O)c1ccccc1Oc1cccnc1)Nc1ccc(Cl)cc1[N+](=O)[O-] 109710631 KXTCBAQSFYHMKK-UHFFFAOYSA-N 427.800 4.231 5 20 IIBD O=C(Nc1ccccc1Br)C1CCN(c2c([N+](=O)[O-])ccc3c2CCN3)CC1 302876161 GAGSVWBAMZIBPZ-UHFFFAOYSA-N 445.317 4.180 5 20 IIBD CC(C)(CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc2c(c1)OCCO2 426287237 XATLGFNUYPGHGS-UHFFFAOYSA-N 425.485 4.018 5 20 IIBD O=C(NCc1ccc(OCc2ccccn2)cc1)c1ccc(Br)cc1[N+](=O)[O-] 429854271 OSYAKAXYFIIFON-UHFFFAOYSA-N 442.269 4.261 5 20 IIBD COc1ccccc1OCC(=O)Nc1cccc(Nc2ncc(Cl)cc2[N+](=O)[O-])c1 434960248 QJJCXSPFLCIJID-UHFFFAOYSA-N 428.832 4.413 5 20 IIBD Cc1cccc(O[C@@H]2CCCC[C@H]2NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 435754496 XFHADNQZOWRVAD-RTBURBONSA-N 431.876 4.002 5 20 IIBD O=C(Nc1ccc(COc2ccccc2)cc1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437054054 AMWFMEDAJPZMMN-UHFFFAOYSA-N 445.475 4.304 5 20 IIBD O=C(Nc1cccc(N2CCCCC2=O)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 437926692 ARXONABXDDJVGV-UHFFFAOYSA-N 438.484 4.187 5 20 IIBD CO[C@@H](C)c1nc(CN2CCCN(c3ccc([N+](=O)[O-])c4cccnc34)CC2)cs1 439597110 QCRSHTKTMQQOOH-HNNXBMFYSA-N 427.530 4.019 5 20 IIBD O=C(c1cn2cc(Cl)cc(Cl)c2n1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 441058343 BOTSVWZLBLIRQO-UHFFFAOYSA-N 435.267 4.233 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)cc1SC 442939439 SSTJTJMYLINPMH-QZTJIDSGSA-N 432.498 4.260 5 20 IIBD O=C(N[C@H]1CCCN(c2cccc(F)c2)C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444022246 QARJLWSBFGNXLT-INIZCTEOSA-N 433.458 4.358 5 20 IIBD Cc1cc(C)c(C[C@H](C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)C(F)(F)F)c(C)c1 444635508 KQRQLIZIUNFZBT-MRXNPFEDSA-N 434.418 4.434 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 444641495 VFVLKWWWMURYOM-LEWJYISDSA-N 442.475 4.470 5 20 IIBD Cc1nn(-c2ccc(F)cc2)cc1CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 444862331 VEKGUCGZDFQFJF-UHFFFAOYSA-N 426.451 4.245 5 20 IIBD O=C(Cc1noc(Cn2ccc3cc([N+](=O)[O-])ccc32)n1)Nc1cccc(Cl)c1Cl 445379563 DLOPGNMEDNXBPR-UHFFFAOYSA-N 446.250 4.469 5 20 IIBD Cn1cnc([N+](=O)[O-])c1-c1noc(-c2ccc(CSc3nc4ccccc4[nH]3)cc2)n1 445582158 FMPQGTIIELCBKM-UHFFFAOYSA-N 433.453 4.214 5 20 IIBD COCCCCN(Cc1ccccc1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br 445916337 UFFJNINCEOWGIU-UHFFFAOYSA-N 435.318 4.355 5 20 IIBD COc1cc(C(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)cc([N+](=O)[O-])c1OC 448326649 BXWSHRSDQBNULD-UHFFFAOYSA-N 436.346 4.069 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)Nc2c(F)c(F)cc(F)c2F)cc1[N+](=O)[O-] 461152021 ULVXBLXWAPDLCU-UHFFFAOYSA-N 443.172 4.023 5 20 IIBD COc1ccccc1[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Cl 462307256 VOHHBGCWUAHFQW-FQEVSTJZSA-N 432.885 4.325 5 20 IIBD CCC[C@H](NC(=O)[C@H](C)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 464771962 DKBWNYXTTDUFIP-MBSDFSHPSA-N 425.529 4.484 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCc3c(F)cccc3OC(F)F)cc2)c(C)c1[N+](=O)[O-] 465189904 XGEVQWUPCPZGHA-UHFFFAOYSA-N 448.401 4.127 5 20 IIBD Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 466542397 QPHKWPPDMNVNNT-FQEVSTJZSA-N 425.485 4.063 5 20 IIBD Cc1ccc([C@H](C)NC(=O)c2cc(I)ccc2F)cc1[N+](=O)[O-] 474769514 SMRHVLFMJHHRFI-JTQLQIEISA-N 428.201 4.138 5 20 IIBD CO[C@@]1(C)CCCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 477879476 PHKNTBMLNJHKSN-VWLOTQADSA-N 448.523 4.408 5 20 IIBD Cc1cccc(COc2cccc(NC(=O)C(=O)N(C)Cc3ccccc3[N+](=O)[O-])c2)c1 478307054 TVOWYIQRJPOWLG-UHFFFAOYSA-N 433.464 4.079 5 20 IIBD Cc1c(CNC(=O)NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] 479724940 XQLDPTLVQMHBRD-UZLBHIALSA-N 434.899 4.188 5 20 IIBD CCn1c(SCc2nnc(-c3ccc(OC)cc3)o2)nnc1-c1ccc([N+](=O)[O-])cc1 481341462 NUSGNWJJXFZPMI-UHFFFAOYSA-N 438.469 4.224 5 20 IIBD O=C(CN[C@H](c1cc(F)cc(Br)c1)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 481730719 AWTLPERXXPABBR-FQEVSTJZSA-N 448.292 4.126 5 20 IIBD Cc1ccc(-c2ccc(Cl)cc2NC(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])o1 483894914 GVEYLPQFAYWRLJ-UHFFFAOYSA-N 427.844 4.114 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 484150758 YRRDYPSLYYCHQJ-QGZVFWFLSA-N 441.553 4.468 5 20 IIBD CCn1cc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)ccc1=O 484339309 XRISXVCKTDRGLJ-UHFFFAOYSA-N 426.860 4.294 5 20 IIBD O=C(NCCc1ccc(F)c(Br)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 485373623 DHTKOPZCHAKUAI-UHFFFAOYSA-N 436.281 4.413 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(OC(F)F)cc(OC(F)F)c2)c(C)c([N+](=O)[O-])c1 485953390 FTXLKPWHZKSQNP-UHFFFAOYSA-N 446.309 4.145 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(NCCCOC3CCN(Cc4ccccc4)CC3)n2)cc1 486979927 KLSVPNNYOMNWGW-UHFFFAOYSA-N 437.500 4.128 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)c2ccccc2SCC(=O)N2CCCC2)cc1[N+](=O)[O-] 488094937 QIDUWYXOFMRGRR-MRXNPFEDSA-N 427.526 4.109 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@@H]2[C@H]3Cc4ccccc4[C@H]32)cc1[N+](=O)[O-])c1ccccn1 488729101 DCPQHWNIRSBFGM-GKIGCEAWSA-N 428.492 4.479 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C 490037798 GKKVSHCEWKESQR-YVEFUNNKSA-N 444.431 4.073 5 20 IIBD COc1ccc([C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)c2ccc(C(F)(F)F)cc2)cc1 492049035 WUPZXYVBNYYSQM-HXUWFJFHSA-N 448.401 4.115 5 20 IIBD CN(C)[C@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1cccc(F)c1 492964009 VBDMDAJSWAWXMK-HSZRJFAPSA-N 437.471 4.346 5 20 IIBD CN1C(=O)C[C@@H](NCCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1c1ccc(Cl)cc1 494243559 BCYIXJBSGOEJQF-XMSQKQJNSA-N 440.887 4.007 5 20 IIBD CCOc1cc(NC(=O)NCc2ccc(OC3CCCC3)nc2)c([N+](=O)[O-])cc1OCC 499788785 FCFSZBYAPVFGRI-UHFFFAOYSA-N 444.488 4.430 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 500664575 FRZPZYMMCTZBIS-UHFFFAOYSA-N 428.432 4.151 5 20 IIBD O=C(NCCOc1cccc(C(F)(F)F)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 501901235 SFVACCPHOUPSRK-UHFFFAOYSA-N 437.418 4.025 5 20 IIBD O=[N+]([O-])c1nn(Cc2csc(-c3ccc(Br)cc3)n2)cc1Br 502851060 FACAWHRPYXHSCO-UHFFFAOYSA-N 444.108 4.488 5 20 IIBD COCCSc1ccc([C@@H](C)NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1 504702972 LIBBHBJQMZSKLD-OAHLLOKOSA-N 426.498 4.010 5 20 IIBD CN(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 505363695 FUANATXTTADFSY-UHFFFAOYSA-N 446.891 4.025 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCCc2cc3ccccc3s2)ccc1[N+](=O)[O-] 506533279 MFMJCDLGSJOTMM-FQEVSTJZSA-N 437.521 4.081 5 20 IIBD CN(Cc1ccc(F)cc1)C(=O)COc1c([N+](=O)[O-])cnc2ccc(Br)cc12 508166644 VUCQOYYKPSNMHG-UHFFFAOYSA-N 448.248 4.082 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CC=C(c2ccccc2Cl)CC1 509819387 LNOUUSGSVOZCJX-UHFFFAOYSA-N 441.871 4.252 5 20 IIBD Cc1cc(C)n(-c2ccc(CCNc3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)cc2)n1 510696645 GBNZKPBIJUHSFQ-UHFFFAOYSA-N 433.512 4.288 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1ccc(OCC(F)(F)F)cc1 511095437 JRZQUNKPHPIOQB-UHFFFAOYSA-N 425.407 4.305 5 20 IIBD O=[N+]([O-])c1cc2c(cc1Cc1nc([C@@H](F)c3ccc(C(F)(F)F)cc3)no1)OCCO2 512011918 WFROIKUBJKTBGY-KRWDZBQOSA-N 439.321 4.418 5 20 IIBD CC(C)Oc1ccc([C@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)N(C)C)cc1 512815153 PZGZMIKKADJANF-QHCPKHFHSA-N 440.544 4.359 5 20 IIBD CSCC[C@H](N[C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1nnc2ccccn12 513788231 NIXQPBCBYZYAOH-QRQLOZEOSA-N 425.558 4.433 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1 516278058 PPIJFFZFEIZYTL-UHFFFAOYSA-N 444.900 4.243 5 20 IIBD O=C(Nc1cccc(OCc2cscn2)c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 517000241 XOVNBUMSMJCZQQ-UHFFFAOYSA-N 426.454 4.057 5 20 IIBD Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 518298216 GFLPMUYTSJOLHD-UHFFFAOYSA-N 437.437 4.248 5 20 IIBD CC(C)N(Cc1cc(Br)ccc1F)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 520148482 RJGUHUIPEZTINT-UHFFFAOYSA-N 435.253 4.424 5 20 IIBD CCOc1ccc([C@@H](C)NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cc1OCC 521358227 WQCOHFSOSCWUGD-CYBMUJFWSA-N 425.441 4.137 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N(Cc1ccccn1)Cc1ccc(Br)cc1F 522254453 FSRQFGTVYLHOJH-UHFFFAOYSA-N 434.221 4.327 5 20 IIBD CCOC(=O)c1cc(S(=O)(=O)N(C)Cc2ccc3ccccc3c2)cc([N+](=O)[O-])c1C 522565650 KCEBDWRMTJCDGY-UHFFFAOYSA-N 442.493 4.054 5 20 IIBD O=C(c1cc(N[C@@H]2CCN(c3ccccc3OC(F)F)C2)ccc1[N+](=O)[O-])N1CCCC1 522646511 UFUDBZLACNOVSN-MRXNPFEDSA-N 446.454 4.123 5 20 IIBD Cc1ccc(C(=O)Nc2cccc(CNC(=O)NCCc3ccc([N+](=O)[O-])cc3)c2)cc1 523132679 BIIAOQWYSPEVSE-UHFFFAOYSA-N 432.480 4.197 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1sccc1OC(F)F 525313334 PFMJGVCBKDBISB-UHFFFAOYSA-N 425.335 4.118 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cccnc3-c3cnn(C)c3)cc2[N+](=O)[O-])C1 526044428 GAWVKVMEVHTHHI-HOTGVXAUSA-N 434.500 4.125 5 20 IIBD CN1CC[C@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 534244288 ZQWXYMZWNOQMJC-KZULUSFZSA-N 426.275 4.464 5 20 IIBD O=C(Nc1cccc2c1OCCO2)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 535497393 GKLVYSLIRZPDPC-UHFFFAOYSA-N 435.223 4.111 5 20 IIBD CN(C(=O)CCc1cnn(-c2ccccc2)c1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 538251624 ODGFHWIKXWSWRZ-UHFFFAOYSA-N 433.493 4.500 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ccc(SCc2ccccc2)cn1 539597345 OOQXLAYGAZSAFM-UHFFFAOYSA-N 429.523 4.267 5 20 IIBD Cn1c(-c2ccc(NS(=O)(=O)CCc3ccccc3[N+](=O)[O-])cc2)nc2ccccc21 540695397 PCEGVQUWGRQCKH-UHFFFAOYSA-N 436.493 4.133 5 20 IIBD CS[C@H]1C(=O)Nc2ccc(-c3noc(-c4cc(Br)cc([N+](=O)[O-])c4)n3)cc21 544933078 MXVGPQXTFOVLSI-CQSZACIVSA-N 447.270 4.431 5 20 IIBD O=[N+]([O-])c1ccccc1Cc1noc(-c2cccc(CS(=O)(=O)c3ccccc3)c2)n1 545535841 XPRGBNRYUKEYSI-UHFFFAOYSA-N 435.461 4.210 5 20 IIBD O=c1oc2cc([N+](=O)[O-])ccc2n1CCCc1nc(-c2ccc(Cl)c(Cl)c2)no1 545542402 RTINDYAXRGGCMR-UHFFFAOYSA-N 435.223 4.492 5 20 IIBD Cc1cc(Br)cn2cc(CCN[C@H](C)CCc3ccccc3[N+](=O)[O-])nc12 546227706 LZWOYUWAZPPADP-OAHLLOKOSA-N 431.334 4.467 5 20 IIBD COc1ccc(C(=O)C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)CC2)cc1 549515264 UXTYEYJKODNROG-UHFFFAOYSA-N 436.386 4.357 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CN[C@@H](c2ccccc2)[C@H]2CCCO2)c1 554969518 NUDCHOBYWFRJCM-MSOLQXFVSA-N 438.265 4.209 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 555869762 RTLNMIQTBCJGPS-QGZVFWFLSA-N 441.228 4.158 5 20 IIBD Cc1cccc(C(=O)N2CCCC2)c1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 556400759 YLLUZPUYDAYGSO-UHFFFAOYSA-N 446.301 4.462 5 20 IIBD COc1cc(Cc2noc(-c3ccc(OCc4ccccn4)cc3)n2)c([N+](=O)[O-])c(OC)c1 571248952 JBRWKYZURNHXCV-UHFFFAOYSA-N 448.435 4.227 5 20 IIBD O=C(NCC(F)(F)F)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 572738380 BUTDJANVGQPSDH-UHFFFAOYSA-N 435.280 4.158 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccnn2Cc2ccccc2Br)c1 577233307 LHVUIYYXJACACU-UHFFFAOYSA-N 445.273 4.253 5 20 IIBD C[C@@H]1CN(C(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)CCC1(F)F 582273564 XDCOZEVJECMMOH-CQSZACIVSA-N 431.439 4.009 5 20 IIBD C[C@@H](C(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc([N+](=O)[O-])cc1F 583196020 MXFLPIQZKZEBFW-SNVBAGLBSA-N 428.247 4.289 5 20 IIBD CCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)c2)c1 589483285 NHKHPNQKZNMQSP-UHFFFAOYSA-N 447.447 4.205 5 20 IIBD O=C(c1cc(C(=O)N2CCC[C@@H](C3CC3)C2)cc([N+](=O)[O-])c1)N1CCC[C@@H](C2CC2)C1 589527108 XQPJZVFLTBRHDF-RTBURBONSA-N 425.529 4.119 5 20 IIBD Cc1ccc(-c2csc(NC(=O)c3nc(N4CCCC4)ncc3Cl)n2)cc1[N+](=O)[O-] 603751998 ADRBYJVUWRVOAA-UHFFFAOYSA-N 444.904 4.323 5 20 IIBD CCOC(=O)c1c(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)sc2c1CC[C@@H](CC)C2 603941518 JCWSTLNQABEPEK-LLVKDONJSA-N 446.481 4.329 5 20 IIBD O=C(c1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCCCCC1 603982776 JHMJMGOQYMJANY-UHFFFAOYSA-N 437.905 4.065 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 604040245 BJFGWDAQBBBIBQ-HNNXBMFYSA-N 431.297 4.436 5 20 IIBD Cc1c(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)n[nH]c1C(F)(F)F 604498226 ORNCNNKYZKPEPC-NSHDSACASA-N 434.378 4.466 5 20 IIBD COc1ccc(CSCC(=O)N(C)C[C@H]2CCCO[C@H]2c2ccccc2)cc1[N+](=O)[O-] 604519676 NVQHCCPFNDZNGB-XXBNENTESA-N 444.553 4.463 5 20 IIBD CCCC(=O)NC[C@@H]1CCCN(c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])C1 608973509 JTXFOIBKDWGLKL-SFHVURJKSA-N 438.528 4.288 5 20 IIBD CC(C)N[C@@H]1CCCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 609385582 BXEYYSQEYSAOBU-DYESRHJHSA-N 430.936 4.390 5 20 IIBD Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1C 609453762 YNSJERSWNHMGAF-KRWDZBQOSA-N 425.466 4.112 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609761957 SEPINAOGXTUOHZ-HNNXBMFYSA-N 448.479 4.424 5 20 IIBD Cc1noc(CCC(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)n1 609791471 CYONRWNLXLYLNB-UHFFFAOYSA-N 434.811 4.120 5 20 IIBD O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 609860234 BCUFZERODGWNHU-CYBMUJFWSA-N 429.782 4.156 5 20 IIBD CC(C)[C@H](O)CCNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 610200674 CTAYINBGOVKLAX-MRXNPFEDSA-N 431.539 4.493 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)c1cccc(S(C)(=O)=O)c1 616911264 XCEDFVJWSQCZLX-UHFFFAOYSA-N 434.539 4.310 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccccc1COCc1ccccc1 619466792 SVVYPCPPXUMIMN-UHFFFAOYSA-N 428.466 4.121 5 20 IIBD COc1ccccc1C/C(C)=C\C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 730346467 UOZPAGWYSSIKMD-YBEMTRGBSA-N 432.860 4.316 5 20 IIBD O=C(NC[C@@]1(O)CCCc2ccccc21)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 731367409 AHXMPDDVLVIFST-VWLOTQADSA-N 431.492 4.161 5 20 IIBD CC(=O)N(Cc1ccc(Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])cc1)C(C)C 735076938 XHNPBSSHDBNYSA-UHFFFAOYSA-N 441.456 4.092 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 735877883 DHJKZIOWRXRXBP-MRXNPFEDSA-N 434.928 4.110 5 20 IIBD C[C@@H](Nc1ccc(O[C@H]2CCOC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 739999364 KQOOBOFQXXZRJZ-WBMJQRKESA-N 439.390 4.220 5 20 IIBD C[C@H](c1ccc(Br)cc1)N1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 741869714 LJMJHMYEVSPFJX-CQSZACIVSA-N 449.374 4.433 5 20 IIBD CCCn1cc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1 742723688 TUWJOPROBDSTPX-UHFFFAOYSA-N 427.848 4.359 5 20 IIBD C[C@H](OC(=O)c1ccccc1NC(=O)C(C)(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 745015599 AZJLYKTXMKHAOP-LBPRGKRZSA-N 447.875 4.417 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)Nc1ccc(OC(F)F)cc1 747120285 ZYQHOOCAECFLBB-VIFPVBQESA-N 448.300 4.399 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(Cl)cc(Br)c1 747134519 YFFZWPWGUFDQDW-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD O=C(OCCn1cc([N+](=O)[O-])cn1)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2 748102585 APKIAVLYLMMVDG-QINSGFPZSA-N 430.420 4.276 5 20 IIBD O=C(COC(=O)c1cc(-c2cccc(Cl)c2)no1)Nc1ccc(Cl)c([N+](=O)[O-])c1 748926874 ZPFPQLDSJCAKNT-UHFFFAOYSA-N 436.207 4.352 5 20 IIBD Cc1c(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748950687 MHHQLVOEAASQMR-JTQLQIEISA-N 439.783 4.096 5 20 IIBD Cc1nn(Cc2ccc(C(=O)OC[C@@H]3CSc4ccccc4O3)cc2)c(C)c1[N+](=O)[O-] 749083329 RLZKIPSFTRTHBI-GOSISDBHSA-N 439.493 4.167 5 20 IIBD O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 750096150 NUZOHEPLYWAFCA-RBUKOAKNSA-N 438.311 4.428 5 20 IIBD C[C@H](OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1nc2cc(Cl)ccc2n1C 750225770 JUJTZZNPTLMGPC-LBPRGKRZSA-N 425.832 4.239 5 20 IIBD Cn1ccnc1COc1ccc(COC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 750821802 CBMTYWBKQUGVOY-UHFFFAOYSA-N 446.257 4.027 5 20 IIBD COc1cc(CNC2CCC(N3CCCCC3)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F 751152678 MJLLOCFWWXCCQU-UHFFFAOYSA-N 445.482 4.431 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCCCC[C@H]1C[C@H](O)c1ccco1 752101587 NRYAUOKZBZLUJN-GUYCJALGSA-N 437.290 4.459 5 20 IIBD Cc1nc(CC(=O)O[C@@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])c(C)s1 753471683 JCDPGPRABHMLSY-INIZCTEOSA-N 427.320 4.405 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCC[C@H]1c1ccccc1Br 755631845 JEXYLZRGEPUZEI-KRWDZBQOSA-N 429.274 4.071 5 20 IIBD CCCc1c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cnn1-c1ccccc1C 759465469 XVTCNYUWDLNUAZ-UHFFFAOYSA-N 449.511 4.130 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1[N+](=O)[O-] 760148337 XFIGYWUVOBUCKO-ZDUSSCGKSA-N 440.239 4.412 5 20 IIBD Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)ccc1OC1CCOCC1 761897720 IMHRWATZMLODFD-UHFFFAOYSA-N 440.905 4.224 5 20 IIBD CC(C)C1(O)CN(C(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C1 765589855 SYFLWODHOISGGL-GZTJUZNOSA-N 437.521 4.365 5 20 IIBD COc1ccc([C@H](OC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)C2CC2)c(C)c1 766609977 SMTYVNHZVWNKJR-HSZRJFAPSA-N 449.463 4.074 5 20 IIBD O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)OCc1cccc([N+](=O)[O-])c1 767508430 PEDSPEOAUOZTFI-UHFFFAOYSA-N 447.476 4.073 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)cs1 768862848 ZZOLZNDLNGDKBK-UHFFFAOYSA-N 448.960 4.254 5 20 IIBD O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1cc([N+](=O)[O-])c2nsnc2c1 771503501 MFZQOPZOEHIFOX-UHFFFAOYSA-N 440.485 4.260 5 20 IIBD Cc1cc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc([N+](=O)[O-])c1F 771773253 KSJJGOKQWOBXMN-UHFFFAOYSA-N 445.428 4.346 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cc(O)nc3c(Br)cccc13)CC2 773984202 AXNRWNXUIMKMNE-UHFFFAOYSA-N 428.242 4.122 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccccc1OCc1cn3ccccc3n1)CC2 774220773 VHIHZYDAKVJTBS-UHFFFAOYSA-N 428.448 4.333 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1ccc2c(c1)OCCCO2 775089541 GEWRTFFHRAOXBF-UHFFFAOYSA-N 446.481 4.052 5 20 IIBD O=C(Oc1cc(Cl)cnc1Br)c1ccc(Br)c([N+](=O)[O-])c1 775506204 DPECVYOPWLLNRL-UHFFFAOYSA-N 436.443 4.387 5 20 IIBD CC(C)(C)OC(=O)NCc1ccc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 777831922 HOTIKDYXVWVKDU-UHFFFAOYSA-N 444.444 4.099 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)[C@H]1CCN(c2ccccc2Br)C1=O 778781153 WMNXINHBRJDRAN-HIFRSBDPSA-N 447.285 4.323 5 20 IIBD COc1cc(OC)c(N[C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1Br 779056612 GKNYCSLJZDTFJK-NSHDSACASA-N 438.278 4.204 5 20 IIBD COc1ccc(-c2nc(C(=O)OCCOc3ccc([N+](=O)[O-])cc3C)cs2)cc1OC 780638130 ZETTVPZYXSQQEK-UHFFFAOYSA-N 444.465 4.280 5 20 IIBD Cc1cc(COC(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)ccc1[N+](=O)[O-] 781172390 MOHUSZOJLRTEME-UHFFFAOYSA-N 425.462 4.234 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@H](C)[C@@H]2CCCN(C3CCC3)C2)CC1 781212576 YBFDWQZZGVNZIK-RTBURBONSA-N 428.577 4.214 5 20 IIBD COc1ccc(-c2nc(COC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)no2)cc1 781261200 YCYIMNKPGGXWEC-UHFFFAOYSA-N 427.416 4.097 5 20 IIBD CC(C)[C@@H]1C[C@@H](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)CCO1 781629025 RCQNUQDNHILSTP-KXBFYZLASA-N 443.466 4.104 5 20 IIBD CC(C)[C@@H]1C[C@H](CC(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)CCO1 781952390 UMIHLPXTBBFXOC-UZKOGDIHSA-N 446.544 4.364 5 20 IIBD O=C(Nc1cccc(COCc2ccco2)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 783292537 BOWSCFFGQXYFQN-UHFFFAOYSA-N 429.816 4.135 5 20 IIBD NC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)Sc1nc2ccc([N+](=O)[O-])cc2s1 783882774 DMXPAWABGHFEQE-AWEZNQCLSA-N 427.429 4.412 5 20 IIBD Cc1cc(C)c(-c2nnc(SCCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)o2)c(C)c1 783902783 BUGNXTJGBREALS-UHFFFAOYSA-N 433.511 4.136 5 20 IIBD Cc1cc(C)c(N2CC[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3Br)C2=O)c(C)c1 789055315 PRHGFXHXWOYGAY-QGZVFWFLSA-N 447.285 4.245 5 20 IIBD CN(Cc1ccc(F)cc1Br)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 791534595 HLIVHOOOXPFTQQ-UHFFFAOYSA-N 436.281 4.369 5 20 IIBD O=[N+]([O-])c1ccc2nc(/C(Cl)=C\c3ncc(I)s3)[nH]c2c1 794697173 JVXIFLYFDASVFM-QPJJXVBHSA-N 432.630 4.269 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CSc1nc2ccccc2c(=O)n1-c1cc(C)ccn1 797406990 IHDGYRPXHJPYCA-UHFFFAOYSA-N 434.477 4.298 5 20 IIBD COc1ccc(C(=O)NCc2cccc3c2CCCN3C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 805306221 FAEVKRXCIJCVMM-UHFFFAOYSA-N 441.484 4.221 5 20 IIBD COc1cc(Cl)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)cc1C 808125808 BPIJEPNDSZPRIO-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD C[C@H](OC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1ccc(SCC(=O)N(C)C)cc1 809069882 GEGLZOUJQULWNF-ZDUSSCGKSA-N 427.482 4.174 5 20 IIBD O=C(OCc1ccccc1)N1CC[C@@H](c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)C1 809433903 PPYDQBMGAQXIIB-MRXNPFEDSA-N 447.451 4.176 5 20 IIBD COc1ccc([C@@H](O)C2CCN(C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 812891512 IZAJTMDBLVCZGJ-OPAMFIHVSA-N 427.501 4.128 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1nc(-c2cccs2)n(-c2ccccc2)n1 897598233 NDYNOYDTXDDRDR-UHFFFAOYSA-N 427.392 4.435 5 20 IIBD Cc1ccc(CNC(=O)c2nnc(/C(Cl)=C\c3ccc(O)c([N+](=O)[O-])c3)s2)cc1 912963621 RLINYQDAIWTWHW-RIYZIHGNSA-N 430.873 4.127 5 20 IIBD O=C(Nc1ncc(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1I 915279085 SSGCFGVNAGHDEN-UHFFFAOYSA-N 438.008 4.154 5 20 IIBD Cc1c(C(=O)NCc2ccc(CN3CCCC[C@@H]3C)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 915647203 YPNSDIRQMLJZMQ-HNNXBMFYSA-N 426.473 4.116 5 20 IIBD CC(C)[C@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(=O)N[C@@H]1CCOc2ccccc21 919212591 UZENKAYSULBNLQ-UTKZUKDTSA-N 438.436 4.162 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 919569388 XKHYVONLWFWLHW-ZJUUUORDSA-N 429.231 4.463 5 20 IIBD Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)Oc2cc(Cl)ccc2[N+](=O)[O-])c1 921132473 AIDAPCUDEHSLMI-UHFFFAOYSA-N 432.889 4.452 5 20 IIBD O=C(Nc1nnc(-c2ccncc2)s1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 1319800578 HMPCWVPBMGMXCV-UHFFFAOYSA-N 432.465 4.373 5 20 IIBD O=C(CCSCc1cn2cc(Br)ccc2n1)Nc1ccccc1[N+](=O)[O-] 1321229987 DUKCINSMXLYGRW-UHFFFAOYSA-N 435.303 4.267 5 20 IIBD CCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc2)CCC1 1790757431 DZBUHNRZCQMZKJ-UHFFFAOYSA-N 425.485 4.484 5 20 IIBD Cc1cc(C)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C3)c(C)c1 1803560625 YSWSYJRBZJZFAR-KOUNCHBCSA-N 449.551 4.405 5 20 IIBD Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)o1 1824684734 MIQNBCIDRFYJDS-FQEVSTJZSA-N 443.475 4.182 5 20 IIBD COc1cccc(Nc2nnc(S[C@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)s2)c1 10267550 BRGZQYBQGCWRMG-SNVBAGLBSA-N 449.489 4.457 5 20 IIBD NC(=O)CCN(C(=O)COC(=O)c1c2ccccc2cc2ccccc12)c1ccc(F)cc1 16749477 DOVHBFIOVMKBTC-UHFFFAOYSA-N 444.462 4.198 5 20 IIBD COCc1c(C(=O)OCC(=O)Nc2c(C)cccc2[N+](=O)[O-])sc2cccc(F)c12 17937558 KTJIOIVUIPFSSR-UHFFFAOYSA-N 432.429 4.199 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccc(SC(F)(F)F)cc1 18656334 LXMYRLPBXUACMH-JTQLQIEISA-N 444.387 4.399 5 20 IIBD CSc1ccc(C(=O)O[C@@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-] 22162227 LOKZCDVIGFIDLT-OLZOCXBDSA-N 428.466 4.486 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NC[C@H](C2CCCCC2)N(C)C)cc1[N+](=O)[O-])c1ccccn1 63803871 KVCNGFPARRRGGC-UZUQRXQVSA-N 439.560 4.403 5 20 IIBD COc1cc(OCC(=O)Nc2ccc(OCc3ccccc3F)cc2)ccc1[N+](=O)[O-] 64422246 BXMOFSAGUIIUQV-UHFFFAOYSA-N 426.400 4.339 5 20 IIBD O=C(NC[C@H]1CCCN(Cc2cccs2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 65129879 XWVVGZUMEVNUCR-OAHLLOKOSA-N 442.566 4.422 5 20 IIBD COCCn1c(S[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)nc2cc(Cl)ccc21 78768192 KDDKPSZKYMKLCM-SFHVURJKSA-N 446.916 4.142 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(C(=O)N2CCc3ccccc32)cc1 109651730 UEJWFPFVXPXWOB-UHFFFAOYSA-N 430.464 4.238 5 20 IIBD Cc1ccc(Cc2sc(NC(=O)[C@@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)nc2C)cc1 110485417 ABHXFAFSEQUCLE-OAHLLOKOSA-N 438.509 4.016 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NCc2ccc(Br)cc2F)c([N+](=O)[O-])c1 301289992 WIAHDSYOSGHKPC-UHFFFAOYSA-N 433.237 4.073 5 20 IIBD CSc1ccc(C(=O)N[C@H]2CC3(CCN(C)CC3)Oc3ccccc32)cc1[N+](=O)[O-] 301688887 UVDJXCBQNJTDKC-KRWDZBQOSA-N 427.526 4.035 5 20 IIBD O=[N+]([O-])c1cc(Br)cnc1NC1CCN(Cc2ccc(F)c(F)c2)CC1 301697236 QKCDZGFYPMMOCK-UHFFFAOYSA-N 427.249 4.107 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cc1OC 303733614 FPKOQCPLSZHPEO-PKOBYXMFSA-N 441.528 4.127 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NC[C@@H]3CCCO[C@@H]3c3ccccc3)cc2)c(C)c1[N+](=O)[O-] 409557939 NPQJYJPTUHDTAP-LADGPHEKSA-N 448.523 4.354 5 20 IIBD Cc1c(NC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)cccc1[N+](=O)[O-] 409754586 ZQSMLMMLRGPVAY-UHFFFAOYSA-N 432.864 4.145 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)cc1C 409866970 NTQDFEWWABECJT-UHFFFAOYSA-N 431.514 4.075 5 20 IIBD CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1F 409899871 FQFGBGJIRDGIIM-LBPRGKRZSA-N 426.491 4.037 5 20 IIBD C[C@@H](COc1cccc(F)c1)NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 410087365 IBBCANCDKFUQGQ-JKSUJKDBSA-N 438.459 4.499 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccccc1SC 410271447 UGQOJXUOWGQQSR-CYBMUJFWSA-N 434.539 4.463 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 426863382 YCMQVQRJQXFZLS-NRFANRHFSA-N 425.876 4.007 5 20 IIBD C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 428787486 QITMJPKQXKTSQW-BFUOFWGJSA-N 438.402 4.442 5 20 IIBD CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 431441550 SQBCQIBNPLXWSK-LBPRGKRZSA-N 434.290 4.272 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccc(Sc2nncs2)cc1 431590276 QXFLOINPRYYRMS-UHFFFAOYSA-N 439.478 4.163 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc([C@H]2CCCc3ccccc32)s1 432533232 ADCRMJUEUCLIKU-INIZCTEOSA-N 430.511 4.024 5 20 IIBD O=c1c2cnn(-c3ccccc3[N+](=O)[O-])c2ncn1Cc1ccc(-c2cccs2)cc1 434649295 WIYBGCGCULHTQJ-UHFFFAOYSA-N 429.461 4.267 5 20 IIBD CCOc1cc2c(cc1CNC(=O)c1ccc3[nH]c4ccccc4c(=O)c3c1)O[C@H](C)C2 435827409 PEWTXELTLIJMPM-OAHLLOKOSA-N 428.488 4.333 5 20 IIBD CC(C)(C)c1ccc(C(C)(C)NC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)cc1 435905037 BRZDJDATKWOFRQ-UHFFFAOYSA-N 437.496 4.211 5 20 IIBD CCOc1cc(NC(=O)NC2(c3cccc(F)c3)CCOCC2)c([N+](=O)[O-])cc1OCC 437606978 URNCRSAUAFQZHF-UHFFFAOYSA-N 447.463 4.359 5 20 IIBD O=C(NCCc1nc2ccccc2n1C(F)F)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437659668 QNVMWEXQVNVKNE-UHFFFAOYSA-N 428.317 4.331 5 20 IIBD COCCc1noc(-c2cc(Cl)ccc2NC(=O)c2cc(SC)ccc2[N+](=O)[O-])n1 439691508 NIUMROLPUUONFA-UHFFFAOYSA-N 448.888 4.461 5 20 IIBD COc1ccc([C@@H](N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c2ccccc2OC)cc1 443456948 RPRXVSSNQCFSOO-ISKFKSNPSA-N 447.491 4.097 5 20 IIBD Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444634608 ZIUCEDWNQVEVCL-UHFFFAOYSA-N 445.357 4.383 5 20 IIBD C[C@H](NC(=O)c1ccc(Br)s1)c1nc(-c2ccc([N+](=O)[O-])s2)no1 445480796 JSUSYNBKBJVNEP-LURJTMIESA-N 429.277 4.021 5 20 IIBD C[C@@H]1[C@H](C(F)(F)F)CCCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCO1 461179875 NRFRZPRQEOMGTH-KBRIMQKVSA-N 439.438 4.200 5 20 IIBD O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 462366986 ASHIPPZLJSFNNR-KOMQPUFPSA-N 441.285 4.219 5 20 IIBD Cc1sc(NC(=O)CCCn2c(C)cc(=O)cc2C)nc1-c1cccc([N+](=O)[O-])c1 463468793 HCFGHQGJOBZZQU-UHFFFAOYSA-N 426.498 4.224 5 20 IIBD O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 463568132 NWCOEJLDAWGRSL-ZDUSSCGKSA-N 427.448 4.317 5 20 IIBD C[C@H](C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)n1nnc(-c2ccccc2)n1 463731179 UJWKGRUVLQADEP-OAHLLOKOSA-N 430.424 4.240 5 20 IIBD CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)c2cc3ccccc3c3cccnc23)cc1 464281563 ZZXXTUDCWIKHHU-INIZCTEOSA-N 441.487 4.322 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(-c3ccccc3Cl)s2)c2ncccc12 464412070 QOFCPRXXHTYMOS-UHFFFAOYSA-N 447.885 4.116 5 20 IIBD COc1cc(C)c([C@H](C)NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1OC 465594767 IQTMSVKUUDIOHQ-INIZCTEOSA-N 443.500 4.234 5 20 IIBD COCc1ccc([C@@H]2CCCN2C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)o1 466845934 NRKBEYCQJRHADV-FQEVSTJZSA-N 438.484 4.173 5 20 IIBD O=C(NCC(=O)N1CCCCC1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 467283038 SSYXNYLRSYGITK-UHFFFAOYSA-N 433.917 4.142 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 468098370 XDIPKLDJJSYBOA-UHFFFAOYSA-N 426.366 4.370 5 20 IIBD CS(=O)(=O)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cc1F 469055423 SXACJHVHAIANTB-UHFFFAOYSA-N 444.440 4.323 5 20 IIBD O=C(Nc1cnn(-c2ccccc2)c1C(F)(F)F)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 470428968 OHXAGPDBTDMFGZ-UHFFFAOYSA-N 447.373 4.094 5 20 IIBD O=C(Nc1ccc(OC(F)F)c2cccnc12)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 470489437 HKTWCUVSUVELQS-UHFFFAOYSA-N 430.367 4.040 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] 471508439 QFYGDWMJCUQNIC-NQSCKRDGSA-N 439.487 4.099 5 20 IIBD C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1nc(-c2ccc(Br)cc2)no1 472602301 PXYMYJJFRWTPMH-SECBINFHSA-N 435.209 4.037 5 20 IIBD O=C(N[C@H](Cc1nc[nH]n1)c1ccccc1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 473374916 VNXGAVDUPBVZKX-HXUWFJFHSA-N 428.452 4.170 5 20 IIBD O=C(NCC(=O)N1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 474501528 XGRLCCRVGGXWQH-QFIPXVFZSA-N 449.894 4.304 5 20 IIBD Cc1nc([C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c2ccccc2F)no1 475184204 LCYIVNYNDXPSIJ-HNNXBMFYSA-N 439.325 4.355 5 20 IIBD CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)c1cc([N+](=O)[O-])cnc1N 478591065 KYBPNZSCHRSREY-UHFFFAOYSA-N 447.706 4.463 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCO[C@H](c2ccc(F)cc2Cl)C1 479297653 BMMLURSXELVONG-INIZCTEOSA-N 443.656 4.364 5 20 IIBD COc1ccc(C2=NN(C(=O)CNc3cc(F)cc([N+](=O)[O-])c3)[C@@H](c3ccco3)C2)cc1 480171457 TXGRALGMYRXSNG-HXUWFJFHSA-N 438.415 4.125 5 20 IIBD O=[N+]([O-])c1ccc2nc(CN3CCO[C@H](c4cc(F)c(Cl)cc4Cl)C3)[nH]c2c1 482679092 NODKGTQADDBBGC-KRWDZBQOSA-N 425.247 4.491 5 20 IIBD COc1cc(CN[C@@H](C)c2ccc(Br)cn2)c([N+](=O)[O-])cc1OCC(F)F 482994177 VQJHIMKGMLXFKN-JTQLQIEISA-N 446.248 4.256 5 20 IIBD COc1cc(OC)c(OC)cc1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 483381155 VTMOZDSWWFCZDL-UHFFFAOYSA-N 446.403 4.370 5 20 IIBD CC(C)(C)OC(=O)c1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2F)nn1-c1ccccc1 483702412 UJUATKYWSGCQMA-UHFFFAOYSA-N 426.404 4.127 5 20 IIBD Cc1cc(=O)c(-c2nc(-c3ccc(C(C)(C)C)cc3)no2)nn1-c1ccccc1[N+](=O)[O-] 485845384 QHLLQBBVIZRSIH-UHFFFAOYSA-N 431.452 4.464 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1cccnc1OC 486298127 JNARFJAKKMBSPS-UHFFFAOYSA-N 427.438 4.156 5 20 IIBD C[C@@H]1Oc2ccc(NC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])cc2NC1=O 486359061 GYUIADIDMJOVAI-AWEZNQCLSA-N 433.420 4.146 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cc(-c2cccc(C(F)(F)F)c2)nn1C 492358130 QMJUINYSHBILFQ-UHFFFAOYSA-N 449.389 4.344 5 20 IIBD CCN1CCN(c2ccc(N[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c(C)c2)CC1 493977463 PEQKNVCATUBMHH-MRXNPFEDSA-N 445.951 4.138 5 20 IIBD C[C@@H](CNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1c(Cl)cccc1Cl 494897452 YRTGMTMUXCTORL-LBPRGKRZSA-N 426.304 4.248 5 20 IIBD Cc1ccc(NC(=O)CS[C@H](C)C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 498154511 YFPZNOFQBQOBRR-QVKFZJNVSA-N 445.566 4.238 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)NC1(c2ccc(Cl)c(Cl)c2)CC1 501239196 SAMAFEXRRKYVHV-UHFFFAOYSA-N 428.659 4.299 5 20 IIBD CC(=O)Nc1ccc(CCNC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1 504798418 XIVOHFFXLARBHV-CALCHBBNSA-N 438.528 4.008 5 20 IIBD CCOc1ccc([C@H](C)NCc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] 504900003 PMJURZOQUQFLLW-FHWLQOOXSA-N 427.545 4.454 5 20 IIBD CCN(Cc1c(F)cccc1[N+](=O)[O-])S(=O)(=O)c1ccc(Br)c(C)c1 505612777 TZZHMRZXNAHTEH-UHFFFAOYSA-N 431.283 4.016 5 20 IIBD O=C(NCC1(c2ccc(Cl)cc2Cl)CCOCC1)c1cc(O)cc([N+](=O)[O-])c1 505969184 CJOLEFJINZWUEK-UHFFFAOYSA-N 425.268 4.085 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F 508108672 FLMHVNGXLBYRBK-HNNXBMFYSA-N 433.795 4.311 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2ccc(CN(C)C)cc2)cc1 509083201 SADAWODFQDHKRD-UHFFFAOYSA-N 435.480 4.387 5 20 IIBD COCCOc1ccc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1F 510003547 CLACQKPVICXSCE-UHFFFAOYSA-N 427.226 4.082 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CCS[C@H]2CCCC[C@H]21 510146426 HXEAHWXTGQTIEO-CABCVRRESA-N 446.310 4.008 5 20 IIBD COc1ccc(C2(CNc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CCCCC2)cc1OC 511666976 PREIZFVTJZLQRY-UHFFFAOYSA-N 448.541 4.330 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCO[C@]4(CCc5ccccc54)C3)cc2[N+](=O)[O-])CC1 512223406 CUZGVUYLSWFXEQ-RUZDIDTESA-N 435.524 4.145 5 20 IIBD Cc1ccc(CN[C@H](c2cccc([N+](=O)[O-])c2)c2nccn2C)c(OC[C@H]2CCCO2)c1 513716371 ASFNXLRAKGIYGW-FYYLOGMGSA-N 436.512 4.074 5 20 IIBD O=C([C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)N1CCCc2c1cccc2[N+](=O)[O-] 513840499 CQTRZWIQWJOEKS-IBGZPJMESA-N 448.306 4.486 5 20 IIBD Cc1ccc(-c2ccc(Cl)cc2NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)o1 514061457 HCPGLUIFXXCVTE-UHFFFAOYSA-N 434.857 4.472 5 20 IIBD CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 518474022 YRVQYPXYGUAZES-FUHWJXTLSA-N 435.267 4.042 5 20 IIBD COc1cc(OCC(=O)NCc2ccc(Oc3cc(C)ccc3C)nc2)ccc1[N+](=O)[O-] 519021496 INAUNQADHABZOQ-UHFFFAOYSA-N 437.452 4.103 5 20 IIBD Cc1cnn([C@@H]2CCN(C(=O)c3ccc(NCc4ccccc4Cl)c([N+](=O)[O-])c3)C2)c1 519796058 XHEYNEKEXBHPGL-GOSISDBHSA-N 439.903 4.452 5 20 IIBD CCC[C@H](C)N(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1nc(C)c(C(=O)OCC)s1 522959637 GBSVDRSOJZKIPG-LBPRGKRZSA-N 435.502 4.380 5 20 IIBD CS(=O)(=O)[C@H]1CCC[C@H](NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 524884691 QHOSDLDAENLMJV-HOTGVXAUSA-N 438.933 4.486 5 20 IIBD O=C(N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 525113412 UCRSDPUWMBIKSL-HSZRJFAPSA-N 439.431 4.244 5 20 IIBD O=C(Nc1ccc(-c2ccccc2)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 525411020 NLLYZYFXYNBQLR-UHFFFAOYSA-N 430.464 4.252 5 20 IIBD O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1 530445540 YOCMSLZSNNRSQR-GHTZIAJQSA-N 440.475 4.091 5 20 IIBD COC(=O)CCC1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 530759981 MWSLSNQTBOVLFW-UHFFFAOYSA-N 425.485 4.012 5 20 IIBD O=C(N[C@@H]1C[C@@H]1c1cccc(Br)c1)c1ccc(Br)cc1[N+](=O)[O-] 531188311 WERAIKYJRCUZBE-ZIAGYGMSSA-N 440.091 4.406 5 20 IIBD COc1ccc(O)c(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c1 532088599 VIONVXFZXJNQJS-UHFFFAOYSA-N 444.447 4.343 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCC(=O)N(C)Cc1ccccc1Br 532507188 AAACTKOZTUMBIU-OAHLLOKOSA-N 434.334 4.365 5 20 IIBD O=C(c1cc(=O)c2cc(Br)ccc2[nH]1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 533477860 SXUKESXIAXMQQU-UHFFFAOYSA-N 442.269 4.004 5 20 IIBD Cc1cc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cnc1O 535282803 DBYVOFDNZKQWQA-UHFFFAOYSA-N 429.436 4.038 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1(c2cncc(Br)c2)CC1 537491099 XKVCAVJOTWSOQJ-UHFFFAOYSA-N 428.189 4.024 5 20 IIBD C[C@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 537625065 HXRIMOQNCJSBEF-ZIAGYGMSSA-N 426.922 4.294 5 20 IIBD C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OCC(F)(F)F)cc1 538163313 NYHHMOFOXSBMLQ-LLVKDONJSA-N 431.798 4.479 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 538212810 XUUJRJOYEWUMNH-NRFANRHFSA-N 441.434 4.394 5 20 IIBD CC[C@@H](C)n1nc(NC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cc1C 538354910 BBVQUWYPMIEFJO-PBHICJAKSA-N 431.493 4.275 5 20 IIBD COc1cc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc(OC)c1Br 539430441 UMPVSTVHBWSSJS-UHFFFAOYSA-N 438.278 4.431 5 20 IIBD CCCN(Cc1c(F)cccc1Cl)C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 539550556 FZUPBQMDWKLWGC-UHFFFAOYSA-N 435.883 4.276 5 20 IIBD O=C(N[C@@H](C(=O)O)c1ccc(Cl)c(F)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 540665041 FSPYOUXHNUPQSZ-OAHLLOKOSA-N 435.820 4.067 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)c1 541798402 FDTCXEFMTCCMRL-HNNXBMFYSA-N 431.514 4.027 5 20 IIBD CCc1ccc([C@H](Nc2ccc(N3CC[C@H](N(C)C)C3)cn2)c2ccc([N+](=O)[O-])cc2)o1 542499446 BXKFLGJDKOARBG-GBXCKJPGSA-N 435.528 4.487 5 20 IIBD O=C(c1ccc(Cl)cc1NCCc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1CCO 544640555 WRUPYCNUQHNZRO-GOSISDBHSA-N 431.920 4.280 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(Cc3c(F)cccc3F)no2)c(I)c1 545028227 XQOWUODLKZZZAL-UHFFFAOYSA-N 443.147 4.118 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3nc([C@H]4CCCCS4)no3)cc2)c1 545107315 FFAUYUPEUWBIGP-QGZVFWFLSA-N 446.510 4.404 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl 545439244 FGMSNTXUCMMDQA-UHFFFAOYSA-N 441.296 4.088 5 20 IIBD COc1cc(-c2nc(Cc3ccncn3)no2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 545796817 GVPSAZHHPJIREN-UHFFFAOYSA-N 439.815 4.480 5 20 IIBD O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC=C(c2cccc(Br)c2)CC1 547274242 MCPZSVDTKQKCMP-UHFFFAOYSA-N 445.269 4.058 5 20 IIBD O=C(Nc1ccc(-c2ccc(Cl)s2)nc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 549055537 WUAZXZBEWHBBGN-UHFFFAOYSA-N 444.904 4.121 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 552336123 PQWMSCUKJRHBJT-QHCPKHFHSA-N 443.931 4.142 5 20 IIBD O=C(NCc1cnc(-c2ccc(Cl)cc2)s1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 560121190 PZMQRJFENKVHBR-UHFFFAOYSA-N 446.920 4.115 5 20 IIBD C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(Oc2cccc(Br)c2)CC1 561403620 SPSSIXCMGGMAQB-CQSZACIVSA-N 448.317 4.228 5 20 IIBD C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)c2ccccc12 561629949 ZDLIJRHQVYSNCG-ACJLOTCBSA-N 441.484 4.431 5 20 IIBD CC(=O)c1cc(Br)cc(Cl)c1OC[C@@H](O)COc1ccccc1[N+](=O)[O-] 581333230 VTCVGCQXAFXIIW-LBPRGKRZSA-N 444.665 4.032 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)c([N+](=O)[O-])cc1OC 603940088 VJOFVFKMDPFILI-UHFFFAOYSA-N 436.468 4.454 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1CC[C@@H](N2CCCC2)C1 608910153 XIARQCLUQWNJOV-NQIIRXRSSA-N 428.920 4.098 5 20 IIBD COc1cc(C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c([N+](=O)[O-])cc1OC 608966583 RIKXINAYRYKGPO-GOSISDBHSA-N 441.267 4.133 5 20 IIBD COc1ccc(CC(=O)Nc2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)ccc2C)cc1[N+](=O)[O-] 609010690 CQZBDIFHMAAYGV-HOTGVXAUSA-N 439.512 4.211 5 20 IIBD O=C(Nc1nc(-c2ccccc2OC(F)F)cs1)c1cc2c(cc1[N+](=O)[O-])OCO2 609021858 TWLFWVDAAZHSJX-UHFFFAOYSA-N 435.364 4.301 5 20 IIBD C[C@H]1CN(C)CCN1C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 609450419 VFPSBUHYFQZEOA-ZDUSSCGKSA-N 428.539 4.132 5 20 IIBD O=C(c1ncoc1-c1ccccc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 609558626 RZYPCGCCMHTHHU-UHFFFAOYSA-N 446.385 4.231 5 20 IIBD Cc1ccc(-c2csc3nc(Cn4cc([N+](=O)[O-])cc(Cl)c4=O)nc(O)c23)s1 609905511 UOTDUTNYNBAZBM-UHFFFAOYSA-N 434.886 4.205 5 20 IIBD CCCOc1cc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])cc1OCCC 610104874 AJCROECLPWJRKC-ZSHCYNCHSA-N 435.521 4.052 5 20 IIBD COC(=O)C(C)(C)c1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 610188591 KMNCDEDGRARVOY-UHFFFAOYSA-N 428.488 4.244 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@H](C)C[C@H]3CCOC3)c([N+](=O)[O-])c2)c(C)c1 610734907 UFODQLAKGDTGPJ-IAGOWNOFSA-N 433.530 4.239 5 20 IIBD Cn1ccnc1[C@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccccc1 618632697 CPPIVFRYGKVFMV-HSZRJFAPSA-N 442.475 4.427 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@@H](N4CCCC4)C3)n2Cc2cccs2)c1 619854180 ZESJOHZTBBRLKH-LJQANCHMSA-N 438.557 4.028 5 20 IIBD O=[N+]([O-])c1ccc(/C(O)=C(/C(=S)NCC(F)(F)F)[n+]2ccc3c(c2)CCCC3)cc1 725761343 RMIGZYVNSOLBBZ-UHFFFAOYSA-O 438.451 4.124 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc2c(c1)nc(O)n2C1CCCC1 725966433 QCADXQNVXQRGCN-UHFFFAOYSA-N 449.423 4.172 5 20 IIBD O=C(c1ccc(I)c([N+](=O)[O-])c1)N1CCCc2cc(F)c(F)cc21 727749980 XEIPWEMKEQGFNQ-UHFFFAOYSA-N 444.175 4.071 5 20 IIBD CCOC(=O)c1sc(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)nc1-c1ccccc1 728201282 JHKKDMYUUFBDCD-UHFFFAOYSA-N 440.481 4.213 5 20 IIBD O=C(COC(=O)C[C@H](c1ccccc1)C(F)(F)F)Nc1ccc([N+](=O)[O-])cc1Cl 728656724 MEGHXLRJBPYRGM-CYBMUJFWSA-N 430.766 4.466 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2cc3c(C)cc(C)nc3s2)c([N+](=O)[O-])c1 729680207 XHIIYAXEWVAUSI-LBPRGKRZSA-N 429.454 4.014 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1 730182266 FQWFBRIGWDBEMW-UHFFFAOYSA-N 430.892 4.193 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)NC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc23)cc1[N+](=O)[O-] 730919501 NSZAQGCSPABMHX-QZTJIDSGSA-N 444.896 4.318 5 20 IIBD O=C1OC(c2c(Cl)cccc2[N+](=O)[O-])=N/C1=C/c1ccc(OC[C@@H]2CCCO2)cc1 730957380 AOOTXYNDAGESEC-VUVCFOEZSA-N 428.828 4.151 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@@H](O)c1ccc(Cl)cc1Cl 732298269 PEUPXFDKJFMKIQ-OAQYLSRUSA-N 441.314 4.311 5 20 IIBD O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@H]1C[C@@H]1c1cccc2ccccc12 735350829 UYRLMBQRUPOEBX-WOJBJXKFSA-N 432.432 4.393 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=S)Nc2cc(Cl)cc(Cl)c2)CC1 740628661 JTNLSNIUKFTIFY-UHFFFAOYSA-N 439.324 4.056 5 20 IIBD COc1ccc(S(=O)(=O)Oc2ccc3c(c2)OC2(CCCCC2)CC3=O)cc1[N+](=O)[O-] 742634454 BUNBAGHWJYTRSU-UHFFFAOYSA-N 447.465 4.039 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ccc(-c3ccco3)nc2O)cc1)c1cccc([N+](=O)[O-])c1 743607221 HWDKQBGIOVNZBO-UHFFFAOYSA-N 445.387 4.427 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3ccc(Br)o3)CC2)ccc1[N+](=O)[O-] 744205315 YAQQJRNKWRIWRM-UHFFFAOYSA-N 439.262 4.175 5 20 IIBD Cc1nc(-c2cccc(C(=O)O[C@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c2)cs1 745671656 AZFZTUGXGVWQQA-LLVKDONJSA-N 429.429 4.350 5 20 IIBD COC(=O)c1cc(C(=O)O[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)cc([N+](=O)[O-])c1 745912783 MZWJRIVYXZXTIQ-SNVBAGLBSA-N 431.788 4.003 5 20 IIBD O=C(COc1cc([N+](=O)[O-])ccc1Cl)NCc1cccc(COCc2ccco2)c1 747811656 FZONTZAKFIKBOL-UHFFFAOYSA-N 430.844 4.253 5 20 IIBD CN(C)[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1cccc(F)c1 749410341 MAISEOVHMRIGPB-HNNXBMFYSA-N 444.688 4.183 5 20 IIBD Cc1cccc(C(=O)OCc2ccnc(-c3ccc(Br)cc3)n2)c1[N+](=O)[O-] 749976461 PYNGTNRQGSMVTK-UHFFFAOYSA-N 428.242 4.480 5 20 IIBD CC(C)n1ncc2ccc(NS(=O)(=O)c3cc(Br)ccc3[N+](=O)[O-])cc21 751280866 YEMNYDLBEFNNJF-UHFFFAOYSA-N 439.291 4.089 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)cc2F)C[C@@H](C)O1 751999061 GNSCRPPTQGBELI-GASCZTMLSA-N 430.480 4.404 5 20 IIBD C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@H](O)c1c(F)cccc1Cl 752614813 IDEJVHXDLGPJLH-XLFHBGCDSA-N 433.288 4.371 5 20 IIBD Cc1cc(Oc2ncccn2)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl 753066492 QWFYBDHOKRWQSR-UHFFFAOYSA-N 434.861 4.248 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2ccc(N3CCOC[C@@H]3C)cc2)cc1[N+](=O)[O-] 753164749 YFFJBGFEEUJMLD-LBPRGKRZSA-N 434.290 4.143 5 20 IIBD CC(C)n1ncc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1-c1ccccc1 753616250 NGTYXAMABPYBSH-CQSZACIVSA-N 440.431 4.362 5 20 IIBD CCC[C@@H]1CCCCN1C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 754687631 SWULUTMLISGEPY-QGZVFWFLSA-N 432.498 4.157 5 20 IIBD COC(=O)[C@@H]1CCCC[C@H]1OC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 755807710 WEOLUMZDLKOKPC-AKCHCHLHSA-N 427.457 4.052 5 20 IIBD O=C(OCc1nnc(-c2ccc(Br)cc2)o1)c1c[nH]c2cc([N+](=O)[O-])ccc12 756766500 NWTPOOWRXDYFMU-UHFFFAOYSA-N 443.213 4.246 5 20 IIBD COc1ccc(N(C)C(=O)c2ccc(I)c([N+](=O)[O-])c2)cc1Cl 757771533 CPILHLRDOBTALJ-UHFFFAOYSA-N 446.628 4.138 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CC=C(c2ccc3c(c2)OCCO3)CC1 758978182 ANCYAFGNWRTHSF-UHFFFAOYSA-N 445.269 4.058 5 20 IIBD CC(C)(C)[C@H](NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1F 759061559 QPXDZMOCBYSJSE-MRXNPFEDSA-N 425.819 4.369 5 20 IIBD CN(CC(C)(C)C)C(=O)c1cccc(C(=O)O[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 759937929 JDZKCWCJUXUCKE-RBUKOAKNSA-N 442.516 4.250 5 20 IIBD CCc1ccc(-c2noc([C@@H](C)NC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)n2)cc1 760825994 QDNNWDIOQCUXIH-CYBMUJFWSA-N 439.428 4.223 5 20 IIBD COCCC1(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCCC1 761451404 NESGRTPCKGNKIV-GFCCVEGCSA-N 432.395 4.081 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F 762450223 YEEOVOLIEAAOBD-UHFFFAOYSA-N 446.794 4.254 5 20 IIBD O=C(Nc1ccc(CC[C@@H](O)c2ccccc2)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 763004827 WIMOCCZIQSFSBV-OAQYLSRUSA-N 434.448 4.285 5 20 IIBD O=C(Oc1cccc(C(=O)N2CCc3ccccc3C2)c1)c1cc(F)c([N+](=O)[O-])cc1F 763441585 MHXTYTHJTVWJCU-UHFFFAOYSA-N 438.386 4.291 5 20 IIBD CC(C)(C)[S@@](=O)CCNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 764231649 DXQNREXCNMOZEP-LJAQVGFWSA-N 437.949 4.137 5 20 IIBD Cc1cnc(CSc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])s1 771697318 WHOMMXUUPKGEAV-UHFFFAOYSA-N 427.573 4.217 5 20 IIBD CCOC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)c1cc([N+](=O)[O-])ccc1Cl 776415230 JTKBGOCAKVZVKU-FQEVSTJZSA-N 426.856 4.306 5 20 IIBD COc1c(Br)cc(Cl)cc1NC(=O)c1cc([N+](=O)[O-])c2nsnc2c1 778222733 CPQYPTDLQXOAGH-UHFFFAOYSA-N 443.666 4.276 5 20 IIBD C[C@H](OC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 780074124 CMOHLDNPIVTOLU-QMMMGPOBSA-N 432.738 4.157 5 20 IIBD O=C(COC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)Nc1ccc(C(F)(F)F)cc1 781259534 NESOYLDLKWRXNN-UHFFFAOYSA-N 440.377 4.496 5 20 IIBD Cc1ccc(-c2noc([C@H](C)OC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)cc1F 781738320 VEPAFGYYASQRKP-LBPRGKRZSA-N 444.375 4.238 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Oc1ccc(C(=O)Nc2ccccc2)cc1 781851074 NPHHABZFRLMCMG-UHFFFAOYSA-N 435.392 4.294 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 782460495 LCPBXNPYMTWMAV-ZBFHGGJFSA-N 431.514 4.424 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N[C@H](COc1ccccc1)c1ccccc1 783320299 MUGDCOTVXACSAW-HXUWFJFHSA-N 439.855 4.123 5 20 IIBD Cc1cc(S(=O)(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)cc([N+](=O)[O-])c1F 784448348 RTLUBWNXSUPPRD-ZDUSSCGKSA-N 432.395 4.239 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 784483315 OTLDWNWLPQVGFK-DZGCQCFKSA-N 437.418 4.439 5 20 IIBD C[C@H](OC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 784657909 JJMPSJDCGXITTF-NSHDSACASA-N 429.903 4.048 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1cccc(CC[C@@H](O)c2ccccc2)c1 786774348 IFLMLDUTLMXMOP-OAQYLSRUSA-N 426.494 4.408 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(I)c1)c1ccccc1C(F)(F)F 788108393 PADPMWKJCOZDJB-UHFFFAOYSA-N 436.127 4.471 5 20 IIBD CC(C)[C@@H](OC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1F 790744104 QYCXIFSGAUWQKD-GOSISDBHSA-N 426.803 4.275 5 20 IIBD COc1ccc(OC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccn2)cc1[N+](=O)[O-] 792117197 ALVBTZXFXREZPC-UHFFFAOYSA-N 445.435 4.137 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3cccnc3OC(C)C)CC2)ccc1[N+](=O)[O-] 793157851 IIZRRVNNOJFMFI-UHFFFAOYSA-N 429.473 4.002 5 20 IIBD CS(=O)(=O)C1(CNC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)CC1 793993783 IHLOYGPIXJCQDG-UHFFFAOYSA-N 433.529 4.240 5 20 IIBD O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCC(OCC3CCCCC3)CC2)c1 795860822 ITQXUVJITINGIY-UHFFFAOYSA-N 434.917 4.137 5 20 IIBD COc1ccc(NC(=O)CNc2ccc(OCC(F)(F)F)c(Cl)c2)c([N+](=O)[O-])c1 799969798 OFUGLHATNYLVRP-UHFFFAOYSA-N 433.770 4.249 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 800630674 CMYPGNASRGGCTJ-UHFFFAOYSA-N 435.411 4.221 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C(C)(C)C1 801514321 YUJGKOYZDFEQGS-OAQYLSRUSA-N 449.551 4.447 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(Cl)c(SC(=O)N(C)C)c2)c1F 808116946 MASOYTSFGORHMW-UHFFFAOYSA-N 447.897 4.270 5 20 IIBD COc1cc(COc2cccc3c2[C@H](O)CC(C)(C)O3)c([N+](=O)[O-])cc1OCC(F)F 810009678 FAIWWIKNLMFPLR-CQSZACIVSA-N 439.411 4.421 5 20 IIBD COC[C@H](C)[C@H](C)C(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 812633113 WEPSFZAKFAVICX-NJSLBKSFSA-N 434.876 4.390 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccn(-c3ccc(Br)cc3)n1)CC2 815940653 AVSNFNRQNUZQRT-UHFFFAOYSA-N 427.258 4.054 5 20 IIBD C[C@H](OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc2ncccc12 856620410 MYARDPPHQFIGDB-KBPBESRZSA-N 425.466 4.194 5 20 IIBD COc1cc(/C=C(/Cl)c2nc(=O)c3ccc(C(F)(F)F)cc3[nH]2)cc([N+](=O)[O-])c1O 916127821 JSIOGZAOULEEPX-NYYWCZLTSA-N 441.749 4.301 5 20 IIBD CCOc1ccc(C(=O)Oc2ccc(S(=O)(=O)c3ccccc3)cc2)cc1[N+](=O)[O-] 916441720 YCSXDPAFBAOFKA-UHFFFAOYSA-N 427.434 4.046 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Oc3ccc(NC(=O)C4CC4)cc3)cc2)c(C)c1[N+](=O)[O-] 917049316 PTHCZHIAYZTPKF-UHFFFAOYSA-N 434.452 4.024 5 20 IIBD C[C@H]1CCN(C(=O)COC(=O)c2cc3cc([N+](=O)[O-])ccc3[nH]2)c2ccccc2S1 917329555 JBIVYVHRWAJKHG-ZDUSSCGKSA-N 425.466 4.150 5 20 IIBD COc1ccc([C@H]2CCCCCN2C(=O)COC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1 918860775 BVGRWYHKHULHBJ-HRAFRWSSSA-N 438.480 4.304 5 20 IIBD C[C@@H](OC(=O)c1cnn(-c2ccc(Cl)cc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 919378128 XTDDMZOSWNKNFQ-LLVKDONJSA-N 449.250 4.271 5 20 IIBD COc1ccc(C2(c3nnc(COc4ccccc4[N+](=O)[O-])o3)CCCC2)cc1OC 1117215014 ROUFPZMZKOMHSM-UHFFFAOYSA-N 425.441 4.434 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1 1317822171 FXKGJQOCWBWNAS-UHFFFAOYSA-N 429.436 4.467 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 1318665480 PTZUHZJHIRGFTI-AWEZNQCLSA-N 448.932 4.105 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-n2cccc2)ccc1F 1320325963 SMHSAFQMOBGIPX-UHFFFAOYSA-N 443.456 4.432 5 20 IIBD O=C(Nc1ccc(SC(F)(F)F)cc1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 1320800530 UGYCFJGKSXNKOY-UHFFFAOYSA-N 439.371 4.112 5 20 IIBD COc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])[nH]4)CCC3)cc2)c(C)c1 1790345736 BDSVLZHQSVNBLN-UHFFFAOYSA-N 448.479 4.301 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C2CC2)cc1 1800727595 GRKTZNHNRYDGDO-SBPBHMIISA-N 435.480 4.030 5 20 IIBD CC(C)(C)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)n[nH]1 1821164512 YIHKCKHGXPEIAM-KRWDZBQOSA-N 431.468 4.199 5 20 IIBD CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CSc2ccccc2[N+](=O)[O-])CC1 1826406289 BTYTZJMMQNXZRX-SFHVURJKSA-N 447.601 4.353 5 20 IIBD Cn1c(SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])nnc1-c1ccccc1Cl 9810638 ANBRNIMXKATDBL-UHFFFAOYSA-N 438.296 4.428 5 20 IIBD CC(C)CCn1c(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O 11205809 VVAFASKYEHCZLL-OAHLLOKOSA-N 440.525 4.470 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)[C@H](C)Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 16868152 RCCYTCWTYNURCD-RYUDHWBXSA-N 438.889 4.308 5 20 IIBD O=C(COC(=O)COc1ccc(C2SCCCS2)cc1)Nc1cccc([N+](=O)[O-])c1 17267803 JPQMCVFHXYTAJZ-UHFFFAOYSA-N 448.522 4.024 5 20 IIBD C[C@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 17768149 QHEWVPLOPGRROV-NSHDSACASA-N 444.904 4.356 5 20 IIBD COc1cc(NC(=O)c2ccccc2)c(C(=O)OCc2ccccc2[N+](=O)[O-])cc1OC 19605391 KIHAUMLGRHUNSE-UHFFFAOYSA-N 436.420 4.221 5 20 IIBD CCOc1ccc(NC(=O)CN2CCC(c3nc4ccccc4s3)CC2)c([N+](=O)[O-])c1 23828484 QJJPOULCAOHJMV-UHFFFAOYSA-N 440.525 4.421 5 20 IIBD CC(C)(CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)N1CCc2ccccc2C1 25464301 UMSWYAUQEKDIKK-UHFFFAOYSA-N 439.559 4.108 5 20 IIBD Cc1cc(Br)cc(C)c1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 57773033 LRFUKCDXARRYOS-UHFFFAOYSA-N 433.306 4.328 5 20 IIBD Cc1ccc(NC(=O)N2CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)CC2)cc1Cl 58446289 ULCUBSIHJWRCMJ-UHFFFAOYSA-N 441.875 4.028 5 20 IIBD CCOc1ccc([C@@H](C)NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1OCC 64692157 RCZOUOIXQHPHKE-OAHLLOKOSA-N 438.484 4.284 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)cc1[N+](=O)[O-])c1ccccn1 64787501 UTFKOHLUWKQDRB-OAHLLOKOSA-N 445.479 4.307 5 20 IIBD O=C(COc1ccccc1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)Nc1ccccc1F 68927454 CIIXJSIDIXPLSV-UHFFFAOYSA-N 427.363 4.143 5 20 IIBD COc1ccc(CSCC(=O)N(Cc2cccnc2)Cc2ccco2)cc1[N+](=O)[O-] 116876893 IIILBMRCPQHRKB-UHFFFAOYSA-N 427.482 4.054 5 20 IIBD CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 209796698 ZOJIINCZRJGCOP-WTKPLQERSA-N 441.793 4.377 5 20 IIBD O=C(Nc1cccc(CNc2ncc(Br)cc2[N+](=O)[O-])c1)c1ccncc1 301694706 PAPSTSKVSLUTFG-UHFFFAOYSA-N 428.246 4.012 5 20 IIBD CS(=O)(=O)c1cccc(N2CCC(c3ccc(Br)cc3)CC2)c1[N+](=O)[O-] 409637783 ISXBQWNMZIDLOJ-UHFFFAOYSA-N 439.331 4.145 5 20 IIBD COc1ccc(Br)cc1CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 426284025 SODCGSPQUWWFBF-UHFFFAOYSA-N 434.290 4.240 5 20 IIBD Cc1cnc([C@@H](C)NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)s1 427042017 WUFGJTYORWYQOV-SECBINFHSA-N 426.285 4.343 5 20 IIBD Cc1c(NC(=O)[C@@H](NC(=O)c2ccccc2)C(C)C)cc(Br)cc1[N+](=O)[O-] 431232571 QAMNLYBJOMMEBS-KRWDZBQOSA-N 434.290 4.059 5 20 IIBD C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1nc(-c2cccc(F)c2)no1 431487220 XVBXPCKLAFSKBB-VIFPVBQESA-N 435.209 4.037 5 20 IIBD COC(=O)c1cnc(N2C[C@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)c([N+](=O)[O-])c1 432135426 IBIVZEOGGLYOFU-MRXNPFEDSA-N 439.390 4.152 5 20 IIBD CCOc1cc(NC(=O)Cc2cc(Br)ccc2F)c([N+](=O)[O-])cc1OCC 434007134 FSZGEHANJDNKOK-UHFFFAOYSA-N 441.253 4.475 5 20 IIBD COC1CCC(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)CC1 435844342 KGMZXHLANCOILA-UHFFFAOYSA-N 449.554 4.067 5 20 IIBD COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1cc(SC)ccc1[N+](=O)[O-] 437822817 PJXXLHMNJBVOQS-UHFFFAOYSA-N 431.514 4.193 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ncc(-c3ccccc3)[nH]2)c([N+](=O)[O-])c1 439201008 QCEWHPHBEHPKBB-SFHVURJKSA-N 426.498 4.209 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCCc3c([nH]c4c(F)cccc34)C2)c(C)c([N+](=O)[O-])c1 439397166 MLIUJNGRRBNFFH-UHFFFAOYSA-N 440.431 4.291 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 440170416 BMKZHSRJCMJPRO-GOSISDBHSA-N 425.533 4.135 5 20 IIBD O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ncc(-c4ccccc4Br)o3)C2)nc1 440488400 BQCVEPBYLIIFLK-CYBMUJFWSA-N 444.289 4.094 5 20 IIBD Cc1cc(=O)c(C(=O)N(CC(F)F)c2cccc(Cl)c2)nn1-c1ccccc1[N+](=O)[O-] 440664929 MEXMFLFRSCAAFQ-UHFFFAOYSA-N 448.813 4.014 5 20 IIBD CN1C(=O)COc2ccc(NC(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])cc21 441073129 VATKPVZSLPIYEV-UHFFFAOYSA-N 435.461 4.354 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1(c2ccccc2)CCCC1 442525272 UXDSLNVKEKKAEW-AWEZNQCLSA-N 447.438 4.151 5 20 IIBD O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444085828 MUWWXCWDHKGVQW-QGZVFWFLSA-N 436.414 4.380 5 20 IIBD CC(C)(O)COc1ccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1 444097268 NDAXSMAZCCWDRY-UHFFFAOYSA-N 438.430 4.362 5 20 IIBD Cn1cnnc1Sc1ccc(-c2nc(C(C)(C)Cc3ccccc3)no2)cc1[N+](=O)[O-] 445799219 VCDDVFLMOXFBKC-UHFFFAOYSA-N 436.497 4.445 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H]1CCOc2ccc(Br)cc21 445878501 SVRNDFOBCMWLRB-SFHVURJKSA-N 448.317 4.450 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CC(C)(C)Sc3ccccc32)cc1OC 446440088 ZAIQOEQZLOVXTI-UHFFFAOYSA-N 432.498 4.160 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nnc(Cc2cccc3ccccc23)o1 446765509 AARCXQNQTYDOMH-UHFFFAOYSA-N 438.465 4.139 5 20 IIBD Cc1ccc(C[C@H](NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c2ccccn2)cc1 460339551 CYXPQPNSNFLWPD-QFIPXVFZSA-N 432.480 4.186 5 20 IIBD Cc1cccc(C2=CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3C[C@H]3CCOC3)CC2)c1 461531856 ILFSUTGTQBMRGG-LJQANCHMSA-N 445.523 4.492 5 20 IIBD O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 462375284 CLHJUKSGAHQKEM-KOMQPUFPSA-N 441.285 4.219 5 20 IIBD C[C@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1nc(C2CCCCC2)no1 464716324 YHHSXZQARFRGSJ-NSHDSACASA-N 442.394 4.458 5 20 IIBD CC(C)CCSc1ccc(C(=O)NCc2nnc(C3CC3)n2C2CC2)cc1[N+](=O)[O-] 468312091 XNEHCWHMFWGYNV-UHFFFAOYSA-N 429.546 4.467 5 20 IIBD COc1ccccc1[C@@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])OC(C)C 472463726 PKUVMSPAGMQTQL-OAQYLSRUSA-N 438.484 4.146 5 20 IIBD CC(C)Sc1ccccc1NC(=O)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 473228744 GREVBRWWTPRWCP-UHFFFAOYSA-N 443.525 4.104 5 20 IIBD O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 473273933 CPHPVOJDHVWISN-UHFFFAOYSA-N 434.418 4.325 5 20 IIBD CCOC(=O)c1ccc2c(c1)CCCN2C(=O)c1cc([N+](=O)[O-])ccc1SCCOC 475898258 KFSLATSOFATYSO-UHFFFAOYSA-N 444.509 4.103 5 20 IIBD C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)c1c(F)cccc1Cl 477273655 WEHLDDHAAQOFRH-QMMMGPOBSA-N 448.619 4.483 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(Br)cc2OCC)cc([N+](=O)[O-])c1 478713617 UINDCVINLZTPMM-UHFFFAOYSA-N 437.246 4.185 5 20 IIBD Cn1c([C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)nc2ccccc21 481411705 YHCJOKXTJMBMJO-QFIPXVFZSA-N 449.898 4.453 5 20 IIBD Cc1c(CNC(=O)c2cnn(-c3cccc(Br)c3)c2C)cccc1[N+](=O)[O-] 481460774 CBAYUXUYICOVLP-UHFFFAOYSA-N 429.274 4.090 5 20 IIBD O=C(Nc1ccc(N2CCCC2=O)c(F)c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 483059392 LVGDANSVDMGTKQ-UHFFFAOYSA-N 426.429 4.237 5 20 IIBD Cc1ccc([C@@H](C)NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)cc1[N+](=O)[O-] 483630859 AKEPVAXDXYTJQT-MRXNPFEDSA-N 437.587 4.033 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1sc2c(c1C(=O)c1ccncc1)CCC2 484318372 UFDGHBIRKJWQHJ-UHFFFAOYSA-N 425.441 4.091 5 20 IIBD CC(C)(C)c1nnc(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])s1 485747060 VGYNNQMUIJGOPU-UHFFFAOYSA-N 426.498 4.253 5 20 IIBD CC(C)(NC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)c1ccc([N+](=O)[O-])cc1 486775441 HIEDQLFYMLPNKC-OAHLLOKOSA-N 436.295 4.306 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@H](C)c2ccc(OC(C)C)c(OC)c2)c(C)c([N+](=O)[O-])c1 486881070 OZOGTRMNUVXFQP-CQSZACIVSA-N 445.472 4.368 5 20 IIBD C[C@@H](Cc1ccncc1)NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 487894695 XQXGQSWXJXJWQB-SFHVURJKSA-N 441.491 4.132 5 20 IIBD CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 490659675 AYTVVGRYXKECDL-UHFFFAOYSA-N 448.545 4.008 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCC[C@](O)(C(F)(F)F)C1 492395618 MWCILJVRJVXKIQ-GOSISDBHSA-N 426.416 4.275 5 20 IIBD COc1ccccc1NC(=O)C1CCN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 493153257 LWNQUGCPIZNUGE-MRXNPFEDSA-N 440.500 4.033 5 20 IIBD Cc1csc(C2(NC(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)CCCC2)n1 496248778 XKHKQUROQFDBMR-UHFFFAOYSA-N 439.541 4.421 5 20 IIBD O=C(NCc1ccco1)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 497917065 DIPPFNINTURXJX-UHFFFAOYSA-N 431.408 4.310 5 20 IIBD O=C(CCC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCSc2ccccc21 498158756 AJDYEZCZRZBFPS-NRFANRHFSA-N 443.550 4.088 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 500766754 JCJYKGHKFLTCGP-UHFFFAOYSA-N 447.535 4.357 5 20 IIBD COCC1(CCNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCC1 501877853 ADVIRWBTRYCSDP-UHFFFAOYSA-N 448.523 4.313 5 20 IIBD CCNC(=O)COc1ccc(/C=C(\c2ccncc2)c2ccc([N+](=O)[O-])cc2)cc1OC 502202006 BSEFGQOSQJUWAF-STZFKDTASA-N 433.464 4.102 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[C@H]3c3n[nH]c(-c4ccccc4)n3)o2)c1 503146238 LPPFBLULRXIMIW-IBGZPJMESA-N 430.468 4.415 5 20 IIBD C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 504904381 WYQTXIPCZTZJMD-ZDUSSCGKSA-N 432.402 4.375 5 20 IIBD CN(CCc1cccc2ccccc12)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 505162925 VRDUAHUZFFVGTK-UHFFFAOYSA-N 447.520 4.342 5 20 IIBD CC(C)Cc1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C2CC2)cc1 506259152 KMINCUOQUOJCNJ-NRFANRHFSA-N 430.526 4.078 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(Sc3nnc(COc4ccc(Cl)cc4)o3)cc2N1 506809102 QOBOBXVRPXULBX-UHFFFAOYSA-N 432.845 4.246 5 20 IIBD CCc1cc(Sc2nnc(NC[C@H]3CCCO3)s2)nc(-c2ccc([N+](=O)[O-])cc2)n1 507101296 CTQHPVOMAVDHOW-OAHLLOKOSA-N 444.542 4.208 5 20 IIBD Cc1ccc2nc([C@@H]3CCCN(C(=O)c4cc(O)nc5ccc([N+](=O)[O-])cc45)C3)[nH]c2c1 508221202 QKDCUENQAAWBLB-CQSZACIVSA-N 431.452 4.053 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2cn(C)nc2C(F)(F)F)cc1[N+](=O)[O-])c1ccccn1 508235428 IXUHFUBCGCIFCK-LLVKDONJSA-N 434.378 4.168 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 509471851 QLLVUIPGGHAVSF-JOCHJYFZSA-N 425.485 4.437 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N(Cc3ccco3)CC(F)(F)F)cc2)c(C)c1[N+](=O)[O-] 514708671 GTPULXQNLKPNEZ-UHFFFAOYSA-N 436.390 4.254 5 20 IIBD COc1ccc(CNC(=O)N[C@H](COc2ccccc2F)c2ccccc2)cc1[N+](=O)[O-] 515454150 MRVNSUAATIMTTC-LJQANCHMSA-N 439.443 4.362 5 20 IIBD Cc1ccc2sc(C(=O)N3CCCN(c4nc5ccc([N+](=O)[O-])cc5[nH]4)CC3)cc2c1 518449023 BLKCNENMNXJCES-UHFFFAOYSA-N 435.509 4.347 5 20 IIBD Cc1c([C@H](C)NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(F)cc1 520000603 QKMSVEMYSOHTGO-AWEZNQCLSA-N 448.458 4.120 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 520050268 WCPFYPXRZYJDEY-QGZVFWFLSA-N 439.516 4.151 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCN(C(=O)c2c(F)cccc2Cl)CC1 520605153 JLMOIXNUFYSVQE-UHFFFAOYSA-N 435.883 4.133 5 20 IIBD NC(=O)c1csc(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)c1 522734256 HBFZHZPUKHWPJB-UHFFFAOYSA-N 449.847 4.270 5 20 IIBD O=C(NC1CCSCC1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 522931792 LQOPKNGZBFZOEU-UHFFFAOYSA-N 446.598 4.046 5 20 IIBD COc1cc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)ccc1OCC(F)(F)F 523503903 SHPYINYRIKNVTJ-UHFFFAOYSA-N 426.391 4.139 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2cccc(C[S@](C)=O)c2)cc1[N+](=O)[O-])c1ccccn1 523726487 ZLOSVDBXXRDKGO-QLCIJSRNSA-N 438.509 4.294 5 20 IIBD O=C(N[C@@H](c1ccc(Cl)cc1)C1CCCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 524554553 NDWKXPVGDPXEAA-HXUWFJFHSA-N 425.876 4.490 5 20 IIBD CCOc1ccc(NC(=O)CN2CCC[C@@H](c3nc4ccccc4s3)C2)c([N+](=O)[O-])c1 533013194 HGKWIWLYZZAURW-OAHLLOKOSA-N 440.525 4.421 5 20 IIBD COc1ccc(Sc2nsc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)n2)cc1 534773736 KLTHLENULMCNSU-UHFFFAOYSA-N 441.494 4.269 5 20 IIBD CC[C@H](C)NS(=O)(=O)Cc1cccc(NCc2cc([N+](=O)[O-])ccc2OC(F)F)c1 535543429 SIVNYSZWWKWNOW-ZDUSSCGKSA-N 443.472 4.026 5 20 IIBD C[C@@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1cc2c(cc1Br)OCCO2 536484798 GEGRNJAJGWOLTH-SNVBAGLBSA-N 446.257 4.101 5 20 IIBD C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCCCc1nc(-c2ccncc2)cs1 536876350 LFVDOMJEMCVUPZ-HNNXBMFYSA-N 425.514 4.053 5 20 IIBD O=C(NCc1ccnc(N2CCCCCC2)c1)c1ccc(Br)cc1[N+](=O)[O-] 539014597 SOAAEMAICHGUIY-UHFFFAOYSA-N 433.306 4.063 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)C[C@@H](O)COc1ccccc1C(F)(F)F 539877601 RGEKVGKRFZZJKX-OAHLLOKOSA-N 440.418 4.051 5 20 IIBD CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1cc([N+](=O)[O-])ccc1SC(C)C 540392815 MLHFEMMORVJCIG-UHFFFAOYSA-N 429.542 4.459 5 20 IIBD COc1ccc([C@@H](C)NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])cc1Br 540600147 CMEPMPMMAYHZEN-CYBMUJFWSA-N 437.290 4.321 5 20 IIBD COc1cc(CNCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c([N+](=O)[O-])cc1OC 540613240 HZDZGUBRECKYBT-UHFFFAOYSA-N 439.443 4.293 5 20 IIBD CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])c2cccnc12 540797189 IDYPVJNKFKKCFD-DFNIBXOVSA-N 444.491 4.051 5 20 IIBD CCN(C(=O)Cn1cc([N+](=O)[O-])c(C)c(Br)c1=O)c1cccc2ccccc12 541285287 JAASBCPLCVBTCH-UHFFFAOYSA-N 444.285 4.034 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCC[C@H]2CCO[C@H](C)C2)c([N+](=O)[O-])c1 541352405 XGBXYMMDQPJDKL-CVEARBPZSA-N 426.469 4.230 5 20 IIBD Cc1ccc(NC(=O)CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c(Cl)c1 543159816 PLKZETVEHNMJGA-UHFFFAOYSA-N 428.297 4.057 5 20 IIBD CC(C)NC(=O)Nc1ccc(-c2noc(-c3cc(O)nc4ccc([N+](=O)[O-])cc34)n2)cc1 546407060 ILLDDXPLSPVPQT-UHFFFAOYSA-N 434.412 4.096 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1 546626610 TWBYQUHPMJJGDH-QGZVFWFLSA-N 448.479 4.002 5 20 IIBD COc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc(Br)c1OC 550600294 HZPIVNOFOJSXJI-UHFFFAOYSA-N 447.188 4.228 5 20 IIBD O=[N+]([O-])c1ccc2nc(N3CCC(c4cccc(Br)c4)CC3)nc(O)c2c1 553228635 VYSRRVQQTKQTBE-UHFFFAOYSA-N 429.274 4.390 5 20 IIBD C[C@H](Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])c1c(F)cncc1F 553365780 FBAKVPMVKROGLQ-LBPRGKRZSA-N 434.424 4.242 5 20 IIBD CCCc1c(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cnn1-c1ccc(F)cc1 554986688 JBWQURGRIHPBDA-UHFFFAOYSA-N 439.447 4.299 5 20 IIBD COc1ccc(Cn2cc(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)cn2)cc1 556576968 ZWWODSYUDATMLV-UHFFFAOYSA-N 435.465 4.224 5 20 IIBD Cn1ccnc1[C@H](NCc1cccc(NC(=O)c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 556874624 RNYGLJAGKJRRPV-HSZRJFAPSA-N 441.491 4.460 5 20 IIBD O=C(NCc1cc(F)c(C(F)(F)F)cc1F)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 557979646 MFAFKQIDAHNESZ-UHFFFAOYSA-N 426.301 4.008 5 20 IIBD CC(C)(C(=O)Nc1nc2ccc(Cl)cc2n1Cc1ccccc1)n1cc([N+](=O)[O-])cn1 558055882 SZWPPFLOZMLPNK-UHFFFAOYSA-N 438.875 4.217 5 20 IIBD COc1cc(CN[C@H](C)c2ccc(OC)c(OC)c2C)c([N+](=O)[O-])cc1OC(F)F 558151179 VLRBBTOXYUZFIV-GFCCVEGCSA-N 426.416 4.381 5 20 IIBD COc1ccc([C@@H](CN2CCCC2)NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 560699503 DMGLZKYIVIJTHY-IIBYNOLFSA-N 429.542 4.037 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc([C@H](C)CNC(=O)c2ccccc2)no1 564249093 APTKNOZDZMTFJF-LLVKDONJSA-N 445.273 4.249 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)O[C@H](c2ccsc2)C1 565078787 OPJVJIIMMJMWMZ-QFYYESIMSA-N 425.304 4.329 5 20 IIBD CC[C@H](C)Oc1cccc(NC(=O)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 566919963 ZUXNMLHHJBXKQK-LBPRGKRZSA-N 439.390 4.046 5 20 IIBD O=C(Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 576437411 BUGNFXXRJNCWHK-UHFFFAOYSA-N 447.373 4.226 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@](C(=O)OC)(c2ccccc2)C1 577050358 YROLBTQUVWXRTA-JOCHJYFZSA-N 428.510 4.054 5 20 IIBD O=C(Nc1cc(F)c(Cl)cc1N1CCOCC1)c1cc([N+](=O)[O-])ccc1OC(F)F 583531317 WXTIVJHWGZBTIW-UHFFFAOYSA-N 445.781 4.078 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CN[C@H]2CCCOc3ccc(F)cc32)c1 589310413 MGBNDUFABKSTPE-INIZCTEOSA-N 442.228 4.342 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(C(=O)NC4CC4)cc3)cc2[N+](=O)[O-])C1 589735311 DGBWGSJFCDPXRG-HZPDHXFCSA-N 436.512 4.222 5 20 IIBD O=C(NC1(c2noc(-c3cc([N+](=O)[O-])ccc3C(F)(F)F)n2)CCC1)c1ccccc1 590277873 WWJRAJLWDZKGBH-UHFFFAOYSA-N 432.358 4.473 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(OCc2csc(-c3ccc(OC)c(OC)c3)n2)c1 603455685 CZJIPCNPRDTNQA-UHFFFAOYSA-N 430.438 4.101 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CN1C(=O)[C@@H](c2cccs2)N(Cc2ccccc2)C1=O 603677908 LBFPXQWGWLMDQN-HXUWFJFHSA-N 437.477 4.371 5 20 IIBD CCOc1cc(NC(=O)c2ccc(OC)c(OC(F)F)c2)c([N+](=O)[O-])cc1OCC 603733575 BMVQFKCEHKKUKC-UHFFFAOYSA-N 426.372 4.255 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 603959559 NACKHELHEUGYAG-GDNZZTSVSA-N 428.329 4.389 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)N(Cc2cccnc2)c2ccc(Br)cc2)c1 604042941 STJMAFPGWJMHNT-UHFFFAOYSA-N 448.298 4.148 5 20 IIBD CCOc1ccccc1NC(=O)[C@H](NCc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 604048010 XOKBDSNJQJVZBJ-HSZRJFAPSA-N 435.480 4.472 5 20 IIBD COc1cc(C(=O)N(CC(F)(F)F)C(C)C)c([N+](=O)[O-])cc1OCc1cscn1 604387569 CUNDACOYZLCMGK-UHFFFAOYSA-N 433.408 4.052 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)cc1[N+](=O)[O-] 608929192 NDZYDDIRYKYGLK-UHFFFAOYSA-N 442.497 4.248 5 20 IIBD COCCN(C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H](C)c1cccc(C(F)(F)F)c1 609010599 LWNOFMKVCDHYJH-AWEZNQCLSA-N 440.418 4.401 5 20 IIBD O=C(c1ccc(C(=O)N2CCC[C@@H]2C2CCC2)c([N+](=O)[O-])c1)N1CCC[C@H]1C1CCC1 609114068 GRLILTCNFWWIMS-LEWJYISDSA-N 425.529 4.404 5 20 IIBD COc1ccc(-c2nc(C)c([C@H](C)NS(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)s2)cc1 609674364 VOTWWOMUQVMHJM-AWEZNQCLSA-N 447.538 4.383 5 20 IIBD C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC/C=C/c2ccc(Br)cc2)C1=O 609749873 FLDVBHBATIJEGS-WLMDGNKMSA-N 444.285 4.228 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(N2C(=O)CCC2=O)cc1 609761759 ICNSLJFGPQMKSO-UHFFFAOYSA-N 431.404 4.293 5 20 IIBD CCN(CC)C(=O)[C@H](SCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccccc1 609770727 LSFCDNGJOZVBHX-HXUWFJFHSA-N 443.525 4.236 5 20 IIBD CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)c1ccc(F)cc1F 609977331 ZFHNLQXKOOPZKK-OAHLLOKOSA-N 446.191 4.359 5 20 IIBD O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1ccc([N+](=O)[O-])cc1Br 610042909 HFHJJJINOZOSMN-UHFFFAOYSA-N 439.678 4.203 5 20 IIBD COC(=O)[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)Cc1cccc2ccccc12 610065299 UJKFQSXOMAOKPP-IBGZPJMESA-N 434.492 4.174 5 20 IIBD CSCc1nc2ccccc2n1CC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 610210455 SGZPGEPUXFMDQA-FQEVSTJZSA-N 428.539 4.082 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCc3ccc([S@@](C)=O)cc3)cc2[N+](=O)[O-])n1 610623591 VBQOZXCEXKXNCC-GDLZYMKVSA-N 447.563 4.178 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]1c1ccccc1Br 610676276 QQCJIESJTKKPMG-QGZVFWFLSA-N 434.290 4.142 5 20 IIBD COc1cc(CNc2ccc3c(c2)C(=O)NCC3)c([N+](=O)[O-])cc1OCc1ccccc1 610911078 MIQXVZVPDHFCKI-UHFFFAOYSA-N 433.464 4.080 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC(OCc2ccc(F)cc2)CC1 611262306 VEQMUNWSPMGCAJ-UHFFFAOYSA-N 437.265 4.318 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1[N+](=O)[O-] 616408752 DVMFADXYDVMSAQ-GDNZZTSVSA-N 448.385 4.399 5 20 IIBD O=C(COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])Nc1ccc(Cl)c(C(F)(F)F)c1 725937743 SIUJPXCKWVEQEI-UHFFFAOYSA-N 438.692 4.341 5 20 IIBD O=C(c1ccc(Cl)nc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727330512 SBZZMZCROPUGGU-UHFFFAOYSA-N 449.216 4.278 5 20 IIBD C[C@H]1CN(c2ccc(C(=O)N(CC3CC3)c3ccc(Cl)c([N+](=O)[O-])c3)cn2)C[C@H](C)O1 728165004 GDELTUJHOKPZLW-GJZGRUSLSA-N 444.919 4.314 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2cc(Br)c(F)cc2F)cc1Cl 728586036 GFHCNLVPWDNKEL-UHFFFAOYSA-N 428.594 4.057 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)O[C@H](c1cccc(Cl)c1)C(F)(F)F 730420470 HFKGVWZFRAUUDP-MRXNPFEDSA-N 430.766 4.215 5 20 IIBD CCCCN(C)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 730508049 HRPAXJHYUNDUGW-QFIPXVFZSA-N 438.528 4.383 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)O[C@@H](C)c1ccc(C(F)(F)F)cc1 730628416 RUSFCNLZFNFHOI-NSHDSACASA-N 427.331 4.118 5 20 IIBD O=[N+]([O-])c1ccc2c(ccn2Cc2nc(-c3ccc(-n4cnc5ccccc54)nc3)no2)c1 731804819 FOSPMUIVYPYURX-UHFFFAOYSA-N 437.419 4.382 5 20 IIBD Cc1ccc(COc2cccc(NC(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)c2)cc1 732012825 PKWYOMZLMDQZAI-UHFFFAOYSA-N 433.420 4.029 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 732195221 KNZHAHYCFSOISO-UHFFFAOYSA-N 440.500 4.247 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] 732969508 ZJPIZPWUOZEHMD-MRXNPFEDSA-N 445.451 4.130 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1cnn(-c2ccccn2)c1C(F)(F)F 734780535 JBYKLJBEPPOUKT-UHFFFAOYSA-N 426.738 4.205 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)cc1SC 735700033 QZYPQVGFVMKKTM-AWEZNQCLSA-N 431.297 4.096 5 20 IIBD O=C(Nc1ccc(COC2CCCC2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 739668409 CNBXHWLCKRUMSV-UHFFFAOYSA-N 425.485 4.143 5 20 IIBD CC[C@H](C(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C)n1nnc(-c2ccc(Cl)cc2)n1 741935142 WOQCMDDNGBJUPS-OAHLLOKOSA-N 435.271 4.453 5 20 IIBD C[C@@H](C(=O)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 742050721 LLHIQIKTQUZAMF-UZLBHIALSA-N 428.460 4.466 5 20 IIBD CCOc1cccc(NC(=S)/C(=C(/O)c2ccc([N+](=O)[O-])cc2)[n+]2cccc(O)c2)c1 743052017 AYEANRSDUIFYFG-UHFFFAOYSA-O 438.485 4.310 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(Cn3ncn(CCc4cccs4)c3=S)CC2)cc1 743391815 ZVVLCZJBSBTHDI-UHFFFAOYSA-N 445.570 4.127 5 20 IIBD C[C@@H](OC(=O)C(C)(C)c1ccc(Br)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 744757244 KZWACDMGSHCRIK-GFCCVEGCSA-N 435.274 4.205 5 20 IIBD Cc1cc(O[C@H](C)C(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)ccc1Cl 749358690 NVZORCWCQVWZRD-OAHLLOKOSA-N 433.892 4.179 5 20 IIBD COc1ccc([C@H]2CCCN2S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c(OC)c1 752231562 JMGHTXIXMARWAV-MRXNPFEDSA-N 440.905 4.100 5 20 IIBD C[C@H](CC(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1F 752494163 BTAHHEIENQCLCA-ZBFHGGJFSA-N 432.423 4.215 5 20 IIBD O=C(N[C@@H]1CCCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1)c1cc2ccccc2o1 755583506 MYUIALQLXSQGHQ-CQSZACIVSA-N 427.844 4.029 5 20 IIBD O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)NCc1cc([N+](=O)[O-])ccc1Cl 756993857 ZXUXEMJRTSAKSN-UHFFFAOYSA-N 439.280 4.360 5 20 IIBD COc1ccc(OC(F)F)c(COC(=O)c2cccc([N+](=O)[O-])c2Br)c1 758364860 PVEBGNAPWIEFRV-UHFFFAOYSA-N 432.173 4.324 5 20 IIBD COc1ccc(CNC(=O)Nc2cnc(Cl)c(Br)c2C)cc1[N+](=O)[O-] 760058031 IBYPWCSRGNLBPQ-UHFFFAOYSA-N 429.658 4.044 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 760630996 CBEAOSFVFPWFBO-SFHVURJKSA-N 438.292 4.365 5 20 IIBD CC[C@H](C)n1ncc(C(=O)OC[C@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])c1C1CC1 760987906 SWTROMOBWSGKMI-DOTOQJQBSA-N 440.500 4.101 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(Cc2noc(COc3ccccc3[N+](=O)[O-])n2)cc1 762285690 HCFWXJVKJZQGFN-UHFFFAOYSA-N 426.429 4.495 5 20 IIBD COC(=O)c1ccc(OC(=O)Cc2csc(-c3ccccc3Cl)n2)cc1[N+](=O)[O-] 763702223 VBWOBMSHPLWGQG-UHFFFAOYSA-N 432.841 4.306 5 20 IIBD O=C(NCCCCCCOc1ccc(Cl)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 769044916 SAVWPYQALREZBT-UHFFFAOYSA-N 434.876 4.389 5 20 IIBD CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c1 770324336 IZHCNCMKIUDVMH-UHFFFAOYSA-N 447.694 4.057 5 20 IIBD Cc1cnc([C@@H](C)OC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)o1 770924774 MAJIGDNVAXIJAN-GFCCVEGCSA-N 427.379 4.431 5 20 IIBD CCOc1ccc(-c2nc(COC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)co2)cc1 773145220 KUBNJAHXOHWGSD-UHFFFAOYSA-N 434.408 4.191 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cnn(-c3ccccc3F)c1-n1cccc1)CC2 774220179 CSOBKPRMBXEKKS-UHFFFAOYSA-N 431.427 4.222 5 20 IIBD CC[C@H]1CN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC[C@@H]1NC(=O)OC(C)(C)C 774638403 GPOFWRKAISFKMY-GUYCJALGSA-N 437.928 4.181 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(NCc3ccc(Br)c([N+](=O)[O-])c3)cc2)C[C@@H](C)O1 775182444 FKGNTURSVBVHHZ-ZIAGYGMSSA-N 448.317 4.219 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1cccc(OC(F)(F)F)c1 775546784 FUONIOTWOBZMJR-LBPRGKRZSA-N 427.379 4.181 5 20 IIBD C[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)Cc2ccccc2F)c1 776606399 WSRAFXFWMIXJIG-HJPURHCSSA-N 437.471 4.299 5 20 IIBD CC(C)C(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc1 778164405 APQNTPTXIXZZBA-ZDUSSCGKSA-N 434.395 4.096 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 780896188 GZWGJMPBYVDNBL-AEFFLSMTSA-N 449.551 4.447 5 20 IIBD COc1cc(C)ccc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 781349552 JUWFIXVCRPXYOI-LLVKDONJSA-N 426.347 4.115 5 20 IIBD C[C@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(OCC(F)(F)F)cc1 781610915 VGUCZPZOPSOSOI-LBPRGKRZSA-N 441.362 4.254 5 20 IIBD O=C(OCc1ccc(Oc2ccccc2)nn1)c1cccc([N+](=O)[O-])c1Br 781677494 HXFFYWVLMZETFB-UHFFFAOYSA-N 430.214 4.297 5 20 IIBD COc1ccc([C@@H]2CCCN2C(=O)c2cccc([N+](=O)[O-])c2Br)c(OC)c1 782164360 RUTGEALJUMFDQT-HNNXBMFYSA-N 435.274 4.352 5 20 IIBD Cn1nc(C(F)(F)F)c(COC(=O)c2cc([N+](=O)[O-])ccc2Br)c1Cl 782328790 ZATKBJQSDPYYAQ-UHFFFAOYSA-N 442.575 4.120 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Oc2ccccc2-c2nccs2)ccc1Br 784435879 GLPSDEQKFMECCQ-UHFFFAOYSA-N 441.284 4.249 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)C[C@H]21 784553222 DCAKVBFOJDMZLR-KFKAGJAMSA-N 431.533 4.024 5 20 IIBD Cc1cnc([C@H](C)OC(=O)c2ccc(C(=O)O[C@@H](C)c3ncc(C)o3)c([N+](=O)[O-])c2)o1 785312510 YSOFNVHLNSIPDX-STQMWFEESA-N 429.385 4.024 5 20 IIBD Cc1ccc(-c2nnc([C@H](C)OC(=O)COc3ccc([N+](=O)[O-])c4cccnc34)o2)cc1C 786783990 YRSJIVDSEDFMEI-HNNXBMFYSA-N 448.435 4.493 5 20 IIBD Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 786951548 RDIXBEIOVNEOLR-UHFFFAOYSA-N 449.442 4.159 5 20 IIBD COc1cc(COC(=O)[C@@H]2CCCc3c(O)cccc32)c([N+](=O)[O-])cc1OCC(F)F 789249110 GBQVUTPFSQOWNG-OAHLLOKOSA-N 437.395 4.116 5 20 IIBD CCCCn1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1C(C)C 790422249 TVUPYDVVVQXZIR-UHFFFAOYSA-N 439.494 4.041 5 20 IIBD CCS(=O)(=O)c1ccc([C@H](C)NCc2ccc(Br)c([N+](=O)[O-])c2)cc1 790653019 OIAXOOSCKNJANO-LBPRGKRZSA-N 427.320 4.002 5 20 IIBD COCCc1noc(-c2cc(Cl)ccc2NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)n1 790832758 ZICBCRGHDJOLEC-UHFFFAOYSA-N 434.811 4.187 5 20 IIBD COC(=O)c1csc(-c2cccc(CNC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)c2)n1 791181433 SVYZWFIVGUBWQD-UHFFFAOYSA-N 431.857 4.088 5 20 IIBD O=C(OC[C@@H]1CCCS(=O)(=O)C1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 791521220 RNBCSPQBRHEADM-ZDUSSCGKSA-N 439.873 4.022 5 20 IIBD COc1cc(CN2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c([N+](=O)[O-])cc1OCC(F)F 792908284 LZHFZSFCGVTULE-ZBFHGGJFSA-N 425.259 4.263 5 20 IIBD O=C(NC[C@H]1CCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1)OCc1ccccc1 794049335 RZGGERPWCNWGDC-MRXNPFEDSA-N 431.876 4.027 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)Nc1ccc(N2CCCCCC2)cc1 795711033 MPOSCERPVBKCLT-UHFFFAOYSA-N 441.484 4.169 5 20 IIBD O=C(CCN[C@H](CO)c1ccc(Cl)cc1C(F)(F)F)Nc1cc([N+](=O)[O-])ccc1F 796572839 JLVHKVCACVTLJJ-MRXNPFEDSA-N 449.788 4.058 5 20 IIBD O=C1OCCN1c1cccc2c1CCN(c1ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n1)C2 797435054 LEEBOCMOQXSPOW-UHFFFAOYSA-N 434.427 4.315 5 20 IIBD Cn1cc2c(n1)CCC[C@@H]2C(=O)Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1 798353535 LSJYGEPCDHEDLR-SFHVURJKSA-N 445.431 4.127 5 20 IIBD C[C@H](C(=O)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1)c1cccc([N+](=O)[O-])c1 801251274 LIUFBGBRFJNFIE-AWEZNQCLSA-N 438.402 4.107 5 20 IIBD CN(C)C(=O)Sc1cc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)ccc1Cl 805431591 GNFIALBBSMBWGH-UHFFFAOYSA-N 445.888 4.460 5 20 IIBD O=C(OCC(=O)c1ccc(C(F)(F)F)nc1Cl)c1cc2cccc([N+](=O)[O-])c2[nH]1 811094504 ZIUCECJRGNHURM-UHFFFAOYSA-N 427.722 4.183 5 20 IIBD O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1scnc1Br 811216010 HPUMFHBZQZDSIR-UHFFFAOYSA-N 426.273 4.294 5 20 IIBD C[C@H](OC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(N(C)C)cn1 813255084 ZKWLNNLPCXCZBZ-NSHDSACASA-N 429.420 4.471 5 20 IIBD Cc1[nH]nc(-c2ccccc2)c1NC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] 813523667 XWMSISMKGWSEOC-UHFFFAOYSA-N 444.289 4.131 5 20 IIBD CO[C@@H]1CCC[C@@H](C(=O)O[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 814559146 VTVTVPHGIVFOCS-OPYAIIAOSA-N 426.469 4.331 5 20 IIBD CN(C)C1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)cc2)CC1 815948155 APEACIVTRCRLCB-UHFFFAOYSA-N 436.434 4.396 5 20 IIBD C[C@H](OC(=O)CCOc1ccccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 914970310 UQKBSIXHOGRCFH-NSHDSACASA-N 427.240 4.241 5 20 IIBD O=C(c1ccc(Cl)cc1)N1CCCN(Cn2c(=S)oc3ccc([N+](=O)[O-])cc32)CC1 919951544 LIMBNJRACMUVFI-UHFFFAOYSA-N 446.916 4.331 5 20 IIBD C[C@H](OC(=O)Cc1csc(NC(=O)c2ccccc2F)n1)c1ccccc1[N+](=O)[O-] 920267441 HXMAVLLNOVBSIC-LBPRGKRZSA-N 429.429 4.290 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ccn(-c3cccc(F)c3)n2)cc1)c1cccc([N+](=O)[O-])c1 920275494 JRKOXEUOPNHZSA-UHFFFAOYSA-N 446.394 4.391 5 20 IIBD COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1N 1327169042 ZIOPUNTVJUKEAP-OAHLLOKOSA-N 442.697 4.053 5 20 IIBD Cc1c(I)cccc1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] 1342069045 ZDNPGBKEDLGMTC-UHFFFAOYSA-N 425.226 4.172 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@H]3C3CC3)cc2)CCC1 1786057564 VUIYUCLDKZDOLH-PMACEKPBSA-N 449.507 4.403 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1[N+](=O)[O-])c1cccc2cc[nH]c12 1804344301 CUHCPEODQUXVPY-FCJRBGQTSA-N 444.491 4.041 5 20 IIBD C[C@@H](OC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)Nc1ncc(Cl)cc1Cl 9868458 KTTIVZOELDNKOB-SECBINFHSA-N 439.255 4.055 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1ccccc1C(=O)c1ccccc1 10665370 JUAGHUGNIFFYDT-UHFFFAOYSA-N 438.823 4.275 5 20 IIBD C[C@@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)Nc1ccc(F)c(F)c1 10723336 WYLSYIACSHFLFS-CQSZACIVSA-N 436.414 4.003 5 20 IIBD C[C@H](OC(=O)c1cc(Br)ccc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 17727546 WCHMEPUYBAMFDN-VIFPVBQESA-N 436.193 4.464 5 20 IIBD O=C(COC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)Nc1cccc([N+](=O)[O-])c1 18958942 QSFAIPCGXITDCO-UHFFFAOYSA-N 432.432 4.407 5 20 IIBD COc1ccc(C(=O)O[C@@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)cc1[N+](=O)[O-] 22836440 RWNRUKSJXBHEER-HNNXBMFYSA-N 426.425 4.091 5 20 IIBD C[C@H](OC(=O)[C@H](C)Oc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 25777797 LJCWACTXHBOWNY-QWRGUYRKSA-N 444.337 4.090 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1C(=O)N1CCCCC1 64780192 DDZHCJLAAMQPGC-CQSZACIVSA-N 431.876 4.280 5 20 IIBD O=C(Cn1cnc([N+](=O)[O-])n1)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 71962870 NDFWNQYSVXZXSJ-RILOXFARSA-N 442.479 4.010 5 20 IIBD C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(F)ccc1N1CCC(O)CC1 78657008 PHTOTODDRMQEKE-LBPRGKRZSA-N 436.871 4.231 5 20 IIBD C[C@H](NS(=O)(=O)c1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1)c1ccccc1 98067574 OCANFTROCLXVSA-AWEZNQCLSA-N 443.456 4.026 5 20 IIBD O=C(NC1(c2ccc(Br)cc2)CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 108077097 SYFURGFMFQTNLJ-UHFFFAOYSA-N 430.302 4.377 5 20 IIBD Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2Cl)n1 109141143 FNFOIHKPPAWHKM-LBPRGKRZSA-N 431.836 4.107 5 20 IIBD COc1ccccc1-c1cc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])[nH]n1 111099456 NJZRUVJFKLHEMA-UHFFFAOYSA-N 436.346 4.187 5 20 IIBD O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 116303617 XNBORMCHUFUIMG-INIZCTEOSA-N 443.872 4.080 5 20 IIBD C[C@@H]1C[C@H](c2cccnc2)N(c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])C1 302154965 VTPSRXHRBLZTII-DYESRHJHSA-N 444.557 4.142 5 20 IIBD COC(=O)c1c(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)sc2c1CCCC2 302224245 XDIUBXZIVFKUCG-UHFFFAOYSA-N 439.287 4.337 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(C)CCc2ccc(Br)cc2)cc1SC 303286088 JXJYZMXVWDCJKC-UHFFFAOYSA-N 439.331 4.403 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(c2c[nH]c3cc(F)ccc23)CC1 303489379 RVZGQAHBIQDUSL-UHFFFAOYSA-N 440.475 4.432 5 20 IIBD Cc1sc(Br)cc1S(=O)(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 321243411 JDESGHZTIJNSQG-UHFFFAOYSA-N 434.318 4.138 5 20 IIBD Cc1ccc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)cc1[N+](=O)[O-] 410418185 CEDKONPXYBIEKJ-UHFFFAOYSA-N 425.754 4.408 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCO[C@@H](c2ccccc2F)C1 426272050 TYEKDJBHGPXWAN-QGZVFWFLSA-N 427.354 4.036 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCO[C@H](c2cccc(F)c2)C1 426279127 OTAVQHNWMLGSEG-KRWDZBQOSA-N 427.354 4.036 5 20 IIBD C[C@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)CCS1 426478651 DYTQZSJDXWADMC-LBPRGKRZSA-N 437.568 4.100 5 20 IIBD COC(=O)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1Br 427775083 SMRJWDXPICXILO-UHFFFAOYSA-N 447.163 4.415 5 20 IIBD C[C@@H](NC(=O)Nc1ccnn1Cc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 429585053 HVAATJVIESHNQR-CYBMUJFWSA-N 444.289 4.485 5 20 IIBD CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 430446155 FNVYUCGGHHPOBM-WMZOPIPTSA-N 429.687 4.214 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H](C(=O)O)c1ccc2ccccc2c1 431875895 QZYQPAGHLIYECK-RUZDIDTESA-N 436.467 4.250 5 20 IIBD CC(C)c1[nH]nc(C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)c1[N+](=O)[O-] 434225394 JQJFUAKPEMPJLT-UHFFFAOYSA-N 433.896 4.410 5 20 IIBD C[C@H](CCc1ccco1)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435526199 HBMLYRYRAUSVNK-CYBMUJFWSA-N 445.522 4.477 5 20 IIBD CC(C)(CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1ccc2c(c1)OCO2 436245561 VEWPDGUEBZQSFT-UHFFFAOYSA-N 432.451 4.257 5 20 IIBD CCc1cc(Br)ccc1NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437070173 ASFSDWQXBGSEKP-UHFFFAOYSA-N 446.301 4.049 5 20 IIBD COc1ccc(C(C)(C)CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1OC 437989446 CVJUBTDNINHZQP-UHFFFAOYSA-N 427.501 4.264 5 20 IIBD O=C(Nc1ccccc1F)N1CCC[C@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 438128495 CBRXQRFSVMCPLJ-KRWDZBQOSA-N 440.475 4.169 5 20 IIBD CCN(CC)CCNC(=O)c1ccc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)cc1 439135061 OAFRZKNWINHPAJ-UHFFFAOYSA-N 426.517 4.042 5 20 IIBD COc1cc(OC)c2cc(CCCNC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)[nH]c2c1 440957665 MEIIBCIYPSXJTE-AWEZNQCLSA-N 426.473 4.086 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c1C 443726922 ZAUOZXDGIYPVND-CQSZACIVSA-N 433.461 4.060 5 20 IIBD COc1c(F)cc(S(=O)(=O)N[C@H](CC(F)(F)F)c2ccccc2C)cc1[N+](=O)[O-] 443978655 INVARIHTVQMNQC-CQSZACIVSA-N 436.383 4.023 5 20 IIBD O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(Br)c(Cl)c1F 444825848 XWRGLCMYQVGVAR-UHFFFAOYSA-N 440.616 4.187 5 20 IIBD Cc1cccc(COc2ccc(CNC(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)cc2)c1 444877608 NZYXCQFGGWYICO-UHFFFAOYSA-N 445.479 4.358 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CCC[S@@](=O)c3ccc(Br)cc3)n2)s1 445475177 XPRUNQGGHRXDED-RUZDIDTESA-N 442.316 4.209 5 20 IIBD O=C(c1cccc2ccccc12)N1CCC(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 446438678 RNURQUFCAVSMOI-UHFFFAOYSA-N 443.503 4.185 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](NCC1CCN(C2CC2)CC1)c1ccccc1 447032679 ZWLRAUALCACNKT-JOCHJYFZSA-N 442.947 4.392 5 20 IIBD CCc1nc2ccccc2n1Cc1noc(-c2cc(Br)cc([N+](=O)[O-])c2)n1 460747852 JEEBSKYLZXMYLY-UHFFFAOYSA-N 428.246 4.368 5 20 IIBD COc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 462154494 IVKUTRKYTFTJGM-AWEZNQCLSA-N 431.297 4.436 5 20 IIBD CN(Cc1nccn1Cc1ccccc1)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 462492639 QWHLKDHFAZZIGP-UHFFFAOYSA-N 429.480 4.450 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1-c1cccs1)N1CCO[C@@H](c2ccc(F)cc2)C1 462692757 QRJYFODNSUKYGF-HXUWFJFHSA-N 442.468 4.441 5 20 IIBD CN(CC(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1)c1ccccc1[N+](=O)[O-] 463117012 FVWIHQMXBMQNDH-UHFFFAOYSA-N 428.876 4.232 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1 466913745 VFMKETFOOIFRCJ-MRXNPFEDSA-N 434.378 4.260 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CCOc2c(-c3ccccc3)cccc21 469348640 XCWCJQBHYWEDIV-PMACEKPBSA-N 449.511 4.134 5 20 IIBD Cc1cc(=O)c(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)c[nH]1 469542900 SBMYCHKYIWVCDA-UHFFFAOYSA-N 431.807 4.106 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 470122206 LYYQKWJKUKFTTA-HNNXBMFYSA-N 447.278 4.381 5 20 IIBD CCc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C(F)(F)F)cc1[N+](=O)[O-] 471344211 XEDSYIIEYMAYTJ-UHFFFAOYSA-N 436.434 4.180 5 20 IIBD C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@@H]1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 472502797 QJMYTZHOIFLXNC-FOUBCARRSA-N 427.570 4.348 5 20 IIBD CC(C)(CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1c(Cl)cccc1Cl 472610782 MJDAREYYRBAGIK-UHFFFAOYSA-N 428.247 4.073 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C 475640037 OEQKPUKANHBQST-UHFFFAOYSA-N 434.880 4.332 5 20 IIBD Cc1c(C(=O)N(C)C2c3ccccc3-c3ccccc32)nnn1-c1cccc([N+](=O)[O-])c1 477554455 PDUIOFIMYYQXJB-UHFFFAOYSA-N 425.448 4.326 5 20 IIBD CC1CCN(c2ccc(C(=O)NCc3csc(-c4ccco4)n3)cc2[N+](=O)[O-])CC1 478853954 IUNQIYNFQHGRES-UHFFFAOYSA-N 426.498 4.478 5 20 IIBD Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 479636665 GAOAVBHOZLXIEE-LBPRGKRZSA-N 429.274 4.342 5 20 IIBD CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 480316784 VITKFMPCWKZXTA-IRXDYDNUSA-N 427.505 4.162 5 20 IIBD Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)c(=O)n1C 486725436 AQXSAQAJDKPGQU-UHFFFAOYSA-N 443.912 4.337 5 20 IIBD CN(CC(F)F)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 487446882 OBEVVCOGCANTBG-MRXNPFEDSA-N 428.233 4.234 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(c2ccccc2F)C1=O 487676483 UVDUUFVKOUBEPJ-KRWDZBQOSA-N 431.489 4.017 5 20 IIBD CCCOc1ccc(NS(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)cc1OCCC 488275627 AQBKQVLCPKWQSD-UHFFFAOYSA-N 442.465 4.121 5 20 IIBD Cc1cc(-c2noc([C@H](C)NC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])n2)ccc1F 489780877 RCTYYGPPMLVZHD-ZDUSSCGKSA-N 427.436 4.388 5 20 IIBD COC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)cc1C(=O)OC 489899091 KAFTUJRPBGXZNJ-UHFFFAOYSA-N 446.481 4.168 5 20 IIBD Cc1c(NC(=O)[C@@H](C)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)cccc1[N+](=O)[O-] 490020101 WHIYBAJUUMKHQH-CVEARBPZSA-N 428.558 4.445 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] 493282386 SVIUGCVNKFWUPQ-INIZCTEOSA-N 444.919 4.175 5 20 IIBD CS(=O)(=O)c1cccc([C@H](NCCc2cccc([N+](=O)[O-])c2)c2ccc(F)cc2F)c1 495009610 QGQUAXXNFISTRD-QFIPXVFZSA-N 446.475 4.198 5 20 IIBD O=C(Nc1ccc(CC(=O)N2CCc3ccccc32)cc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 502038844 FOJUENOMOFVKRA-UHFFFAOYSA-N 440.459 4.460 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1 502999740 MIRGPFFAQUZZFC-FQEVSTJZSA-N 441.553 4.060 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1 508151391 QPBHCOFFOFGOPX-UHFFFAOYSA-N 427.844 4.050 5 20 IIBD COc1cc(C(=O)NCc2ccc(C)c(F)c2)c([N+](=O)[O-])cc1OCc1cscn1 509876140 CARXLCOVUBDRDA-UHFFFAOYSA-N 431.445 4.016 5 20 IIBD C[C@@H](CCN1CCOCC1)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 511084730 DYYONQFMBGNXMG-HNNXBMFYSA-N 449.960 4.240 5 20 IIBD O=C(NCCc1cccs1)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 512346318 MFZKMEXEVKVWBA-UHFFFAOYSA-N 439.537 4.487 5 20 IIBD COc1ccc(C)cc1NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] 512364817 MWIGMYFEMRCLOX-UHFFFAOYSA-N 429.454 4.208 5 20 IIBD O=C(N[C@H]1CC(=O)N2CCCC[C@H]12)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 512490963 PYBOVAWAOSTUOU-DLBZAZTESA-N 445.928 4.283 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)c1C 515653029 CEBJAQGICBKQLZ-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F)c1cccc([N+](=O)[O-])c1 516047128 RDYXRKMZTGEIDW-SNVBAGLBSA-N 445.781 4.005 5 20 IIBD CC(C)Oc1ccccc1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 517298711 YJIHKKUILUDXNY-UHFFFAOYSA-N 437.418 4.363 5 20 IIBD CCC(CC)[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccs1 517322170 SAEKAFKMALMTMA-INIZCTEOSA-N 441.456 4.490 5 20 IIBD C[C@@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(OCC(F)(F)F)cc1 518633663 NIJUVJSOHHWRIW-CYBMUJFWSA-N 426.395 4.008 5 20 IIBD COCCOc1c(Cl)cccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 520010234 VUUBZUBDPBTUNM-NSHDSACASA-N 429.256 4.333 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)N1C[C@H](C)C[C@@H](C)C1 520038189 NURJTWMFTSCTOR-HZPDHXFCSA-N 445.541 4.076 5 20 IIBD CSc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)cc1[N+](=O)[O-] 521004384 GRLXDPQVJQCJKS-IBGZPJMESA-N 435.505 4.297 5 20 IIBD CCCOc1ccc([C@H](C)NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc1OC 521130536 GXULCSTYDVGYFM-HNNXBMFYSA-N 429.473 4.057 5 20 IIBD Cc1nc(-c2ccc(Cl)c(Cl)c2)n(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)n1 522685729 SNDLIRZWYVKLHA-UHFFFAOYSA-N 448.266 4.467 5 20 IIBD O=[N+]([O-])c1ccc(CNc2cccc(S(=O)(=O)N3CCc4sccc4C3)c2)cc1 531387165 SGOMHPRRZKQLBD-UHFFFAOYSA-N 429.523 4.015 5 20 IIBD COc1cccc(CNC(=O)[C@@H](C)SCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1 534060116 OASATUIPFIZBMH-CQSZACIVSA-N 427.482 4.197 5 20 IIBD Cn1c(C(C)(C)C)nc2cc(NC(=O)COc3ccc([N+](=O)[O-])c4cccnc34)ccc21 534199804 VDRUKKSPGXIYHR-UHFFFAOYSA-N 433.468 4.345 5 20 IIBD CN1CC[C@@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)[C@H]1c1ccc(Cl)c(F)c1 534230622 YQISTYBKMWSJAL-KSFYIVLOSA-N 444.894 4.151 5 20 IIBD Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br 534463585 UKALYCLCZRVFBC-OAHLLOKOSA-N 443.301 4.320 5 20 IIBD O=C(Nc1cccc(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1)c1ccccc1 535109304 DEGVICZCDXFVAH-UHFFFAOYSA-N 430.464 4.115 5 20 IIBD CC[C@H]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3Sc3nc[nH]n3)sc2C1 537216374 VWVIGVOVUSXCIN-JTQLQIEISA-N 430.515 4.088 5 20 IIBD COc1ccccc1N1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1 537584471 GVVMIZSGNQWSRY-MRXNPFEDSA-N 429.542 4.360 5 20 IIBD COc1cc(CN2CCC[C@H]2[C@@H](O)C(F)(F)F)ccc1OCc1ccc([N+](=O)[O-])cc1 537630833 FVNKUURTYAKEFP-FXAWDEMLSA-N 440.418 4.070 5 20 IIBD O=C(NCc1n[nH]cc1Br)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 543653374 JJWDSEYKXLUYNO-UHFFFAOYSA-N 439.335 4.293 5 20 IIBD CCCCCC(=O)NC1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 544097715 VJWHFIURSMLFDY-UHFFFAOYSA-N 427.954 4.028 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2nc(-c3ccccc3)cs2)c([N+](=O)[O-])c1 544490535 WOXCDWKMIKDPIF-ZIAGYGMSSA-N 426.498 4.405 5 20 IIBD Cn1ccc([C@@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c2ccc(Cl)cc2)n1 545112475 YMCQXIFFORMKED-FQEVSTJZSA-N 449.294 4.310 5 20 IIBD COC(=O)c1ccc(Cl)c(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1C 545230462 CYPJTQXYLRXWSU-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD Cc1cccc(COc2c(C)cc(CN(C)C(=O)c3cc([N+](=O)[O-])cnc3N)cc2C)c1 546092885 ZDNOFAIYKUZHCL-UHFFFAOYSA-N 434.496 4.348 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc(Cn3cncn3)c(F)c2)no1 547091416 CTYNMESVMRFRTH-LLVKDONJSA-N 444.810 4.217 5 20 IIBD C[C@H](Nc1ccc(-c2nc(-c3ccncc3N(C)C)no2)cc1[N+](=O)[O-])c1ccccn1 547256665 VPTAIEFNYZMLLM-AWEZNQCLSA-N 431.456 4.341 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCO[C@@H](c2ccc(F)cc2F)C1 548320319 FACCMHBSBLQZDU-MRXNPFEDSA-N 429.326 4.080 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@](C)(C(=O)OC)c2ccc(Cl)c(Cl)c2)c1 549289854 HVDRGYWYFMYSKI-LJQANCHMSA-N 441.267 4.119 5 20 IIBD CNc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)Cc2ccccc2)CC3)cc1[N+](=O)[O-] 561600138 CJJKLMOCJTXAJP-UHFFFAOYSA-N 430.464 4.021 5 20 IIBD COc1cc(C(=O)Nc2ccc(Sc3ncccn3)cc2C)cc([N+](=O)[O-])c1OC 568575118 PWJJHQYVDPPTMD-UHFFFAOYSA-N 426.454 4.114 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccncc2)cc1[N+](=O)[O-] 572547856 HVCYXLRNXODBPV-OAQYLSRUSA-N 432.480 4.132 5 20 IIBD O=C(NCCCO)c1ccc(NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 574783724 RAPJAAUFUZFEON-UHFFFAOYSA-N 439.443 4.251 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCOc2ccc(Br)cc2C1 580169251 KLPXRJUDNLQHJT-GFCCVEGCSA-N 445.273 4.363 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC(c2noc3cc(F)ccc23)CC1 582273271 INTDGJQLCUEEAU-UHFFFAOYSA-N 438.459 4.495 5 20 IIBD Cc1c(C(=O)N2CCN(C(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)sc2ccccc12 582397371 GBCNROMYOMZTDW-HNNXBMFYSA-N 437.521 4.206 5 20 IIBD O=C(Nc1nc(CCO)cs1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 590391877 JPFHMANREIKNTL-UHFFFAOYSA-N 432.889 4.104 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1[N+](=O)[O-] 590654431 RDEDVXPYABDTJH-UHFFFAOYSA-N 437.433 4.059 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N(C)C3CCN(C(C)C)CC3)cc2[N+](=O)[O-])n1 603262734 DGAQJCCKHQQMEF-UHFFFAOYSA-N 434.587 4.456 5 20 IIBD C[C@@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1cccc([N+](=O)[O-])c1 603966277 KDIKXTKSTONQTJ-QGZVFWFLSA-N 431.492 4.478 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2c(c1)N(C(=O)C(C)(C)C)CCO2 604020421 MRLFWKJFMGTYHJ-CQSZACIVSA-N 443.525 4.486 5 20 IIBD CCc1cc(O)nc(-c2cccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])c2)n1 604442728 QMUWQPVMFDIITL-LBPRGKRZSA-N 442.859 4.379 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 608965480 YCFYOHISUWJYRD-IBGZPJMESA-N 434.279 4.456 5 20 IIBD O=[N+]([O-])c1ccc(OCCCSCc2nnnn2-c2ccc(C(F)(F)F)cc2)cc1 609238297 PVNNCJAGQGXATE-UHFFFAOYSA-N 439.419 4.292 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)cc1SC 609453952 NWXIVNFJOIQLOR-UHFFFAOYSA-N 448.888 4.001 5 20 IIBD C[C@@H](CC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1cccc(F)c1 609693029 SLYWDQZIPKFAEU-LBPRGKRZSA-N 449.485 4.156 5 20 IIBD CCOc1cc(Br)c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1OCC 613905525 IBHKYOYLJICGGZ-UHFFFAOYSA-N 425.235 4.113 5 20 IIBD COC(=O)c1cc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)ccc1Cl 618746993 HVDFYCCTCUOXRW-UHFFFAOYSA-N 431.754 4.375 5 20 IIBD CCOc1ccc2c(c1)[C@@H](NC(=O)Cn1c3ccccc3c(=O)c3ccccc31)CCO2 681369939 XKPYCGXIIOUQJO-NRFANRHFSA-N 428.488 4.193 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1nc2c(s1)CCCC2 726881421 NYTKSRQHYKZQKB-UHFFFAOYSA-N 428.436 4.067 5 20 IIBD Cn1nc(Br)c2c(Oc3ccc(-c4ccccc4)cc3[N+](=O)[O-])ncnc21 728051010 YBVVEWAWDUZCCY-UHFFFAOYSA-N 426.230 4.493 5 20 IIBD Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 728165323 GZYCRPGXAQCXLV-UHFFFAOYSA-N 441.919 4.441 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1occc1CN1c2ccccc2C[C@H]1C 728686105 DSQSNMAJAATOBY-MRXNPFEDSA-N 449.463 4.243 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(C)c1ccc(Oc2ccccc2)cc1 731620938 VGPFNWKXEINLBV-UHFFFAOYSA-N 436.420 4.250 5 20 IIBD CCN(C(=O)[C@H](C)OC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1cccc2ccccc12 731718129 IUYKMQUDWSTUSF-HNNXBMFYSA-N 440.427 4.251 5 20 IIBD O=C(Nc1ccccc1)c1cc(NS(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])ccc1Cl 734415764 HZLNLNKIDNMQAK-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD O=C([C@H]1CSc2ccccc21)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 735634900 IEECXXLCNVEBEF-HNNXBMFYSA-N 437.443 4.152 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2c(F)cc(O)cc2F)c2ccccc2)c([N+](=O)[O-])c1 735952737 RZBKZCXMBAAQRM-HXUWFJFHSA-N 442.374 4.424 5 20 IIBD COc1cc(N2CCC(OC(=O)Cc3ccccc3Br)CC2)ccc1[N+](=O)[O-] 739386470 WFAORIWHZFBMCD-UHFFFAOYSA-N 449.301 4.121 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC[C@@H](O)c1c(Cl)cccc1Cl 741089828 KJMICHIODGXYID-QGZVFWFLSA-N 426.300 4.257 5 20 IIBD Cc1cc(C)c(OC(=O)[C@H]2CCCN(C(=O)N3CCc4sccc4C3)C2)c([N+](=O)[O-])c1 741522818 MPMXGABTKNDNTF-KRWDZBQOSA-N 443.525 4.069 5 20 IIBD COc1ccc(C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)C2)cc1 741719658 MZQMOXUNTIFCJQ-KRWDZBQOSA-N 427.457 4.223 5 20 IIBD CCc1nc(C)c([C@@H](C)N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)s1 742303135 ZZBMHQCPRKJKGY-SNVBAGLBSA-N 448.364 4.066 5 20 IIBD C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)Oc1cccc(Br)c1 742848994 FTTFSKVGLJPXGN-CQSZACIVSA-N 448.317 4.155 5 20 IIBD COC(=O)c1cc(C(=O)O[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)cc([N+](=O)[O-])c1 745912500 MZWJRIVYXZXTIQ-JTQLQIEISA-N 431.788 4.003 5 20 IIBD CCc1ccc(C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)cc1[N+](=O)[O-] 746509719 LQLQUJHJSDBWHP-UHFFFAOYSA-N 439.428 4.166 5 20 IIBD CN(C)[C@@H](C(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1c(F)cccc1Cl 747822487 JEBHXXUEDAYBPI-GOSISDBHSA-N 433.823 4.388 5 20 IIBD COc1ccc(NC(=O)c2cccc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])c2)cn1 748655687 ZNLPIXHPAKJZOA-UHFFFAOYSA-N 426.816 4.156 5 20 IIBD Cc1cc(CN(C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)cc(C)c1OCC(F)(F)F 749947766 XRFQRDHEPXBPML-UHFFFAOYSA-N 437.422 4.295 5 20 IIBD Cc1cc(Cl)ccc1O[C@H](C)C(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 750434989 QZCFQLSWIKDLNL-OAHLLOKOSA-N 433.892 4.179 5 20 IIBD C[C@@H](C(=O)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1cnn(C)c1 750556345 AYQWWKCAEWSIDI-BFUOFWGJSA-N 442.859 4.008 5 20 IIBD COc1ccc(-c2noc(COC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 751642246 BRWPUNLDWBUPKK-UHFFFAOYSA-N 435.845 4.142 5 20 IIBD C[C@H](OC(=O)c1cccc(CN(C)Cc2ccccc2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 751787992 DVMCPBURCWDGBH-SFHVURJKSA-N 447.491 4.411 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N(C)Cc2csc(Br)c2)cc1[N+](=O)[O-] 752234229 AICPAOBKDOBWSO-UHFFFAOYSA-N 439.740 4.201 5 20 IIBD CC(C)[C@@H](OC(=O)c1c(F)ccc([N+](=O)[O-])c1F)C(=O)N1CCSc2ccccc21 752561315 GSGJVVCPPYFQAP-GOSISDBHSA-N 436.436 4.193 5 20 IIBD C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 755024002 CVIUQYGQIXQXPG-QFYYESIMSA-N 426.242 4.130 5 20 IIBD O=C(Cc1csc(Cc2ccc(F)cc2)n1)O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 759947092 KCLREBVYOBUPET-ZWKOTPCHSA-N 444.488 4.247 5 20 IIBD Cc1cc(C(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)c(Br)s1 761132556 SAPGVCCOUULRIV-UHFFFAOYSA-N 440.319 4.196 5 20 IIBD Cc1ccc(NC(=O)c2cc3ccccc3cc2OC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 763141534 KQNRFHJOUUDJRX-UHFFFAOYSA-N 430.420 4.111 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NS(=O)(=O)c1cc(Cl)sc1Cl 764563988 OCWOFFFAWRXUJN-UHFFFAOYSA-N 441.339 4.194 5 20 IIBD CNc1c(C(=O)O[C@@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)cccc1[N+](=O)[O-] 765513112 JYBDVQOXHGYCTE-QGZVFWFLSA-N 439.390 4.475 5 20 IIBD C[C@H](CNC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Oc1ccccc1Br 766457805 RLLDDPSTAZMLGX-OAHLLOKOSA-N 434.334 4.383 5 20 IIBD O=C(c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2)N1C[C@H](c2ccccc2)c2ccccc21 767139714 BUBGKOUKAOLVRB-MRXNPFEDSA-N 447.403 4.067 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CCN(c2c(Cl)cccc2Cl)CC1 767220693 MZCWKTMOPCYDRU-UHFFFAOYSA-N 437.283 4.185 5 20 IIBD C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 769216575 KLQQRIPGSAKAHQ-NWDGAFQWSA-N 444.435 4.106 5 20 IIBD O=C(OCc1cccc2nccn12)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 770921272 ONHDWSXCFAOTPL-UHFFFAOYSA-N 448.401 4.221 5 20 IIBD C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H](O)c1c(F)cccc1Cl 771028540 ONIOERPHHFBFNY-VXJOIVPMSA-N 431.645 4.002 5 20 IIBD C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 772203117 SLJBZMHRRBLSDN-DZGCQCFKSA-N 446.529 4.236 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 772203119 SLJBZMHRRBLSDN-HIFRSBDPSA-N 446.529 4.236 5 20 IIBD COc1cc(COC(=O)c2cncnc2-c2ccccc2)c([N+](=O)[O-])cc1OC(F)F 773601914 WCQHFCYGMCDFGH-UHFFFAOYSA-N 431.351 4.019 5 20 IIBD C[C@@H]1Cc2cc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3Br)cc(Cl)c2O1 775202467 SRLNAJSVNJEEBZ-MRVPVSSYSA-N 447.694 4.135 5 20 IIBD O=[N+]([O-])c1ccc([C@@H](O)CS(=O)(=O)Cc2ccc(Oc3ccccc3F)c(F)c2)cc1 776263927 UQTVNTTVAFJADT-IBGZPJMESA-N 449.431 4.314 5 20 IIBD COc1cc(CNc2ccc(-n3ccnc3)nc2)ccc1OCc1ccc([N+](=O)[O-])cc1 777512857 NHIYIONTPAYPIF-UHFFFAOYSA-N 431.452 4.375 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 778823362 VIHLDVNZIGVQGE-ZDUSSCGKSA-N 447.494 4.079 5 20 IIBD C[C@@H](OC(=O)[C@H](c1cccc(Cl)c1)N(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 780106723 RFSCBIUXYFSCGO-DIFFPNOSSA-N 440.283 4.075 5 20 IIBD CC[C@@H]1CCCCN1C(=O)[C@@H](C)OC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781256947 HXDRUBCABQNLLD-CZUORRHYSA-N 442.462 4.296 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCCCO[C@@H]1CCCc2ccccc21 781640252 XVROKJVQFJEKGZ-OAQYLSRUSA-N 427.457 4.036 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)OC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)cc1F 781738319 VEPAFGYYASQRKP-GFCCVEGCSA-N 444.375 4.238 5 20 IIBD O=C(Nc1cc(F)c(N2CCCCC2)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 785100859 BKKACBHDCPHQBK-UHFFFAOYSA-N 438.818 4.094 5 20 IIBD Cc1ccc2oc(-c3nnc(NS(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)o3)cc2c1 785559472 YEAAORBAUNQTCN-UHFFFAOYSA-N 434.817 4.154 5 20 IIBD C[C@H]1CC[C@@H](C)N1CC(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 785744131 OAZRFJDPGRINST-ZSDSOXJFSA-N 445.903 4.344 5 20 IIBD CCCCOc1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1Cl 786440074 FQQKQQDUBBRKRE-UHFFFAOYSA-N 440.283 4.335 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)OCC[C@@H](C)OCc2ccccc2)ccc1[N+](=O)[O-] 789040691 QJIDYYSUHUQXKJ-GCJKJVERSA-N 440.496 4.046 5 20 IIBD Cn1cc(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(-c2ccc(Cl)s2)n1 789290356 USPBRUYLYWGJAE-UHFFFAOYSA-N 445.844 4.117 5 20 IIBD C[C@H](OC(=O)c1ccc(COc2ccc(F)cc2)o1)C(=O)Nc1ccccc1[N+](=O)[O-] 792336785 FMGZGLDJQHAGMC-ZDUSSCGKSA-N 428.372 4.090 5 20 IIBD NC(=O)c1cccnc1COC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 793262900 YIJPMHCZGRPHMO-UHFFFAOYSA-N 443.868 4.250 5 20 IIBD CN(CC(=O)Nc1cccc(-c2cnco2)c1)c1cc(Br)ccc1[N+](=O)[O-] 795383419 QXZFNHYMNVGAPM-UHFFFAOYSA-N 431.246 4.087 5 20 IIBD CC[C@H](c1ccncc1)N(CC)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O 795431129 ITMIMIPXHOKAHD-QGZVFWFLSA-N 433.306 4.139 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1nc2ccc(Cl)nc2s1 798250502 OWQYLMSWRNAVGS-UHFFFAOYSA-N 427.667 4.197 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 801091158 OIRORRXHQIKRKQ-UHFFFAOYSA-N 434.452 4.430 5 20 IIBD CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1 803306954 VPIXHZFUASZJJU-ACJLOTCBSA-N 436.917 4.404 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCc1ccncc1OCc1ccccc1 804776468 ZHJFHTXVEGDYKA-UHFFFAOYSA-N 449.435 4.177 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCCc1ccc(NC(=O)OC(C)(C)C)cc1 805195104 VZBPKRADFDAZTL-UHFFFAOYSA-N 442.516 4.368 5 20 IIBD CC[C@H](c1ccccc1OC)N(C)C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 807527757 ZRIGJNVBVVPBOJ-GOSISDBHSA-N 427.501 4.449 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N(C)CC(F)(F)Br)cc1[N+](=O)[O-])c1ccccn1 807863827 PIPSEZASXIXIOA-LLVKDONJSA-N 443.248 4.223 5 20 IIBD O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 808914198 DJDPNRMRYRBYEY-SOLBZPMBSA-N 431.286 4.002 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2-c2nc(-c3cccc(-n4ccnc4)n3)no2)CC1 809418694 FUKZTOCKIMRKPZ-UHFFFAOYSA-N 431.456 4.129 5 20 IIBD O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 811532635 AAPINXLASOBKAP-OAHLLOKOSA-N 430.766 4.361 5 20 IIBD CCN(C[C@@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1)CC(F)(F)F 813470265 BIKVWYBPTTZZBN-JTQLQIEISA-N 428.238 4.248 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CC3(CCC3)[C@H]2c2ccccc2)cc1Br 814398921 PFAJKIXHXMQTED-QGZVFWFLSA-N 437.315 4.273 5 20 IIBD O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CCCc2c(OC(F)F)cccc21 815097345 ZIOZAFNMSRNIGZ-UHFFFAOYSA-N 436.795 4.130 5 20 IIBD Cc1nc(C(C)C)ccc1COC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 815172489 UXFHWMKQRAEYGI-UHFFFAOYSA-N 427.486 4.058 5 20 IIBD COc1ccc(CN(CC(F)(F)F)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 818956646 HZRRAKQSCXNFCC-UHFFFAOYSA-N 438.811 4.010 5 20 IIBD CCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 844960594 LXSJSGIWTXHCOP-UHFFFAOYSA-N 426.347 4.232 5 20 IIBD C[C@H](OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCCC2)cc1 856620785 TZQMPYUSPSTESE-HOTGVXAUSA-N 443.525 4.246 5 20 IIBD CCCc1cc(=O)oc2cc(OC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)ccc12 886689091 NCGLPOSVHOXGDD-UHFFFAOYSA-N 436.464 4.476 5 20 IIBD C[C@@H](OC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)C(=O)N1CCCCCC1 920545169 GFXKONXYZYLZDX-IAGOWNOFSA-N 440.500 4.111 5 20 IIBD Cc1cccc(NC(=O)COC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 920547012 NENDTICOLUWRMI-MRXNPFEDSA-N 434.452 4.267 5 20 IIBD CO[C@@H](C)C(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c1 920843898 FXMPOCNYAVJIND-INIZCTEOSA-N 440.500 4.057 5 20 IIBD COc1c(C(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])cnn1-c1ccccc1 1122721511 WKXATMCSJZWCFB-NRFANRHFSA-N 430.420 4.131 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)c1nnc(COc2ccccc2[N+](=O)[O-])o1 1326514991 YOOWIRDGPCWNHZ-SNVBAGLBSA-N 425.367 4.084 5 20 IIBD COC(=O)C[C@H](NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])c1cccc(Cl)c1 1337648945 SJLJCCZUOKDLFP-AWEZNQCLSA-N 438.889 4.013 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)C4CC(F)(F)C4)cc3)CCC2)ncc1[N+](=O)[O-] 1785909983 CJRCIWYKSPZLNS-UHFFFAOYSA-N 444.438 4.091 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccc(C2(NC(=O)[C@H]3C[C@H]3F)CCC2)cc1 1791522875 CKUDOSDLTJMVED-DLBZAZTESA-N 443.500 4.179 5 20 IIBD CC1(C)CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(O)cc([N+](=O)[O-])c4)CCC3)cc2)C1 1791649853 NWEIBCGHZNAPGQ-UHFFFAOYSA-N 437.496 4.484 5 20 IIBD COc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CC(C)(C)C)CC2)ccc1[N+](=O)[O-] 1832695845 KEPNVTBJOPFSJU-IBGZPJMESA-N 445.560 4.273 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC2(CCCN2C(=O)c2ccc(C3CC3)cc2)C1 1845509495 ZLUXBMFQJIZELL-OUKQBFOZSA-N 431.492 4.003 5 20 IIBD COCCN(C(=O)CCc1ccc(OC)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 14790466 JWRUMPGZNVGAJC-UHFFFAOYSA-N 441.509 4.339 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1 15411188 RTKIWKLNIRNZBY-UHFFFAOYSA-N 447.419 4.235 5 20 IIBD O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 16237557 YFKGMYUHXOXWTJ-UHFFFAOYSA-N 449.536 4.436 5 20 IIBD Cc1cc(CSc2ccccc2C(=O)O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])on1 16542615 XGCSXDODECBJKH-CQSZACIVSA-N 441.465 4.368 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2[N+](=O)[O-])n1 17320572 GAUFKEMSDXRKLM-UHFFFAOYSA-N 429.479 4.170 5 20 IIBD CCOc1ccc(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OCC 17529304 TVQIBDMHQQSDMH-CYBMUJFWSA-N 427.413 4.360 5 20 IIBD C[C@@H](Sc1nnnn1-c1ccc(Cl)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 17538616 XVUUIMLSCQDYJR-SNVBAGLBSA-N 429.849 4.127 5 20 IIBD O=C(NCc1nnc2ccccn12)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 18123936 KBHLCCJUSMHMHI-UHFFFAOYSA-N 439.884 4.372 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(Nc2cccc(C)c2)s1 20789360 LISZLNHLYIXPEI-UHFFFAOYSA-N 431.499 4.238 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 21260291 IMWUUXYTIDEJOK-CQSZACIVSA-N 442.859 4.235 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N(Cc2ccc(OC)cc2)CC(F)(F)F)cc1OC 24867958 VMILTLSMEKXRGG-UHFFFAOYSA-N 442.390 4.215 5 20 IIBD CCOc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(C)cc2Cl)c([N+](=O)[O-])cc1OC 27008754 ZAGVCBMALZDCKA-GFCCVEGCSA-N 436.848 4.148 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)[C@H]3CCCC[C@@H]3C)cc2)cc1[N+](=O)[O-] 31383966 ABRNEUXEGXYYOC-YWZLYKJASA-N 445.541 4.355 5 20 IIBD CCOc1ccc(C(=O)Nc2ccc(OCC(=O)N(CC)CC)c(Cl)c2)cc1[N+](=O)[O-] 31955412 NLBRQUCHEGJTFI-UHFFFAOYSA-N 449.891 4.146 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C 33232709 KGNMJDILBPECTB-ACJLOTCBSA-N 430.917 4.368 5 20 IIBD C[C@H](OC(=O)/C=C\c1ccccc1[N+](=O)[O-])C(=O)N(c1nccs1)C1CCCCC1 96935688 KJCNDQXWRPOACA-SSCKCOOKSA-N 429.498 4.362 5 20 IIBD CC(C)S(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 106199127 NHDCSWCPMAUUAX-UHFFFAOYSA-N 431.495 4.153 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N(C)C[C@@H]2COc3ccccc3O2)cc1[N+](=O)[O-])c1ccccn1 108753527 QPBCLRTZAMVESV-SJLPKXTDSA-N 448.479 4.075 5 20 IIBD C[C@@H]1C[C@@H](C)CN(Cc2ccc(CNc3ccc([N+](=O)[O-])cc3S(C)(=O)=O)cc2)C1 302615480 FWIHEJFFAWYQOJ-IAGOWNOFSA-N 431.558 4.088 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 426837796 YZDYSCANWDEDMN-QFIPXVFZSA-N 439.903 4.397 5 20 IIBD COc1cc(N[C@@H]2CCCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C2)cc(OC)c1 427012157 NBXCAOCZICOCOV-OAHLLOKOSA-N 425.441 4.075 5 20 IIBD CCc1nc(C)c(C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)o1 431830632 KTNYJVOOCLSOJX-UHFFFAOYSA-N 440.525 4.140 5 20 IIBD COc1ccccc1-c1noc(C2CCN(C(=O)c3cc([N+](=O)[O-])c(C)s3)CC2)n1 432452747 DETKEOVTYOOMEH-UHFFFAOYSA-N 428.470 4.043 5 20 IIBD COc1cccc(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)c1 435512641 AJLBXNQDRBFCAU-UHFFFAOYSA-N 443.506 4.071 5 20 IIBD CC[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)c1ccncc1 435831817 VVDSNKRZVUAUCI-OAHLLOKOSA-N 442.522 4.409 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c2cc(Br)ccc2O1 436351808 DTZTXLJKALAPLF-CYBMUJFWSA-N 446.301 4.385 5 20 IIBD O=C(NCCOc1ccc(F)cc1F)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436431916 QIPWRGZLQYVSCP-UHFFFAOYSA-N 430.357 4.047 5 20 IIBD COc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CCOCC2)cc1F 436460885 VMTPJINDZNVLQA-UHFFFAOYSA-N 442.365 4.197 5 20 IIBD Cc1cc(Br)cc(C)c1NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437050223 LESJYCNXICLYRC-UHFFFAOYSA-N 446.301 4.104 5 20 IIBD Cc1sc([C@H](C)NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)nc1-c1ccc(Cl)cc1 442545945 UXXHIHROUQYQGC-NSHDSACASA-N 444.900 4.496 5 20 IIBD C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N(C)Cc1ccccc1 444005924 ZHFXOCFYGDCEMO-HNNXBMFYSA-N 435.474 4.210 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc(Br)c(C(F)(F)F)c1 444634263 YBKWLDDRXZFRSP-UHFFFAOYSA-N 443.179 4.182 5 20 IIBD Cc1nc(COc2cccc(/C=C/c3nc(-c4c([N+](=O)[O-])nc(C)n4C)no3)c2)cs1 445610105 KBEOKNQCUUVMKW-BQYQJAHWSA-N 438.469 4.201 5 20 IIBD CCc1nc(C)c([C@@H](C)N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)s1 446030322 FHIWSKASUDDBGN-LLVKDONJSA-N 426.336 4.447 5 20 IIBD CN1C(=O)CCc2cc(C(=O)Nc3ccc(OCc4ccccc4)cc3[N+](=O)[O-])ccc21 446435591 BHECEKNQRZIOED-UHFFFAOYSA-N 431.448 4.335 5 20 IIBD COC(=O)c1ccc(COc2ccccc2CNCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 446841007 LCPJQGLVQZCMOG-UHFFFAOYSA-N 446.463 4.127 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2cccnc2)c(C(F)(F)F)c1 447022457 DXIZRUGUVGJSFM-GOSISDBHSA-N 437.399 4.077 5 20 IIBD Cc1ccccc1[C@@H]1CN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])[C@H](C)CO1 460405105 NZWLNYDEFSPODI-KUHUBIRLSA-N 438.402 4.447 5 20 IIBD CCOc1cc(C(=O)N(Cc2ccc(F)cc2)CC(F)(F)F)c([N+](=O)[O-])cc1OC 460461374 YRLQLDYQMNNIMW-UHFFFAOYSA-N 430.354 4.346 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])c1nnc(-c2ccccc2F)n1C[C@@H]1CCCCO1 461832146 JYMGRQHYGATYAG-SFHVURJKSA-N 439.491 4.240 5 20 IIBD C[C@H]1CCO[C@H]1c1nnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1C[C@@H]1CCCCO1 461846811 XCSZAXSWVTWSAA-ORYQWCPZSA-N 441.532 4.022 5 20 IIBD COc1ccc([C@@H](NCc2cccc([N+](=O)[O-])c2C)c2cccc(S(C)(=O)=O)c2)cc1 462176837 PHNQLBNMLRZRKO-HSZRJFAPSA-N 440.521 4.195 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)N1CC[C@H](n2cccn2)C1 462983210 ZOYXTGLATHPVJA-KRWDZBQOSA-N 425.876 4.144 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 464717621 YQXWNWGOENYYHT-UHFFFAOYSA-N 429.432 4.206 5 20 IIBD CCO[C@H](CC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C1=CCCC1 465051162 ZKPBHDVTVIQYMD-LJQANCHMSA-N 441.450 4.168 5 20 IIBD COc1ccc(CN2CCCN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)CC2=O)cc1 466462108 CJAVQPGHUIMCKX-UHFFFAOYSA-N 427.501 4.020 5 20 IIBD NC(=O)NC[C@H]1CCCCN1C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 467123159 VTKUPYOCDHHEIQ-CQSZACIVSA-N 448.932 4.062 5 20 IIBD CC(C)(C)NC(=O)CCNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 467290100 OUCHSGHLXNSJML-UHFFFAOYSA-N 435.933 4.434 5 20 IIBD Cc1ccc(C2(CNC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)CCC2)cc1C 468758660 AKZXTZDBVBUPAF-GOSISDBHSA-N 441.553 4.116 5 20 IIBD Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 468774921 AXTOTIPFZBEBIM-UHFFFAOYSA-N 438.440 4.878 5 20 IIBD COc1cc(S(=O)(=O)Nc2ccc(C)c(Oc3cc(C)ccn3)c2)ccc1[N+](=O)[O-] 469245138 UEAWWDNJRSZOEB-UHFFFAOYSA-N 429.454 4.208 5 20 IIBD O=C1CCC(=O)N1c1ccc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)cc1[N+](=O)[O-] 469818530 IFIGJFPHCAXNDL-VAMGGRTRSA-N 447.491 4.047 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NC2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)cc1SC 472494868 FUWYDHXTBTVATF-HOTGVXAUSA-N 443.569 4.212 5 20 IIBD C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)no1 472669337 SLWSIBAAXQYNRE-GFCCVEGCSA-N 445.273 4.217 5 20 IIBD CCOc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 473208487 NHRMZNJOXAJWOF-SFHVURJKSA-N 433.892 4.489 5 20 IIBD COC(=O)C[C@](C)(NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)c1ccncc1 475093137 GCCZVRWTDJXUCK-DEOSSOPVSA-N 434.496 4.326 5 20 IIBD COC(=O)Cc1cccc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 478887359 RPUQNMGIJRLGNF-OAHLLOKOSA-N 434.452 4.131 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1C 480927388 APLMSZAENMPIJS-UHFFFAOYSA-N 436.917 4.149 5 20 IIBD CCNC(=O)c1cccc(CNC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)c1 481551094 GHPCPYPPZPRDPI-UHFFFAOYSA-N 429.542 4.413 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1 481807056 NMDAAOYXQBXFLQ-LJQANCHMSA-N 449.960 4.164 5 20 IIBD COC(=O)c1cc(NCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(C)c([N+](=O)[O-])c1 486215307 MRHRIKCOXFVTMD-UHFFFAOYSA-N 445.781 4.413 5 20 IIBD Cn1ccnc1[C@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 488017538 ZCCLRPDCJLWUPM-GOSISDBHSA-N 448.310 4.266 5 20 IIBD CCn1c(S[C@H](C(=O)N2CCCC[C@H]2C)C(C)C)nnc1-c1ccc([N+](=O)[O-])cc1 489410924 VEBJAPLRJRSOCV-QAPCUYQASA-N 431.562 4.391 5 20 IIBD COc1ccc(C2(CNC(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)CCOCC2)cc1 489442610 WHXDPPILUQVNNJ-QGZVFWFLSA-N 427.501 4.020 5 20 IIBD C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)c1ccccc1Cl 489574296 RPKFHYHYMWLBTD-SECBINFHSA-N 430.629 4.344 5 20 IIBD O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 496375034 GABSCBLIPOJSQJ-SFHVURJKSA-N 438.465 4.088 5 20 IIBD CCN(C[C@H](C)O)C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 497600828 GGQWBSMXFTVNEA-LBPRGKRZSA-N 425.844 4.092 5 20 IIBD CN(CCOc1ccccc1)C(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 498299371 OVDHMVSISLHVRG-UHFFFAOYSA-N 447.491 4.043 5 20 IIBD O=C(NCCc1cccc(OCc2ccccc2)c1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 498517257 IHMYZSNFHQKUKE-UHFFFAOYSA-N 443.459 4.400 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccc([N+](=O)[O-])c2cccnc12 498541860 SEZVRPXWBUYOBJ-UHFFFAOYSA-N 425.466 4.112 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(N2CCc3ccccc3C2)nc1 501385005 FIKPJNGRXNBEGI-QGZVFWFLSA-N 448.548 4.350 5 20 IIBD CC(=O)N1CCCc2cc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)ccc21 502034688 COLVIPZOCKROGP-UHFFFAOYSA-N 425.488 4.093 5 20 IIBD COc1ccc([C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])c2ccccc2OC)cc1 502379772 XXCPHQWTKYUCFZ-XMMPIXPASA-N 436.464 4.287 5 20 IIBD COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 504874786 FJEJNCWIKNSXNR-INIZCTEOSA-N 445.273 4.220 5 20 IIBD O=C(Nc1ccc(Oc2ccccn2)cc1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 505171820 ULURKZMTSSPZCE-INIZCTEOSA-N 438.465 4.087 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cc(C(C)C)no3)cc2)cc1[N+](=O)[O-] 505322279 FCYRZUSESABUAU-UHFFFAOYSA-N 444.469 4.068 5 20 IIBD COC(=O)c1c(Br)ccc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c1C 506961852 JQUSOXAGHZQTBX-UHFFFAOYSA-N 435.274 4.369 5 20 IIBD O=C(CCS(=O)(=O)Cc1ccccc1Oc1ccccc1)Nc1ccccc1[N+](=O)[O-] 507691893 IFDMFYNDNPELBD-UHFFFAOYSA-N 440.477 4.331 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)CCCc2cc(-c3ccccc3)no2)c1C 509729533 NTQNQOHBNASVHT-UHFFFAOYSA-N 429.498 4.120 5 20 IIBD COc1ccc(CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c(OC2CCCC2)c1 511583412 YUAZWKWEWSVFPG-UHFFFAOYSA-N 427.501 4.309 5 20 IIBD COCc1ccccc1NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] 512181956 CEPNMNIPTZHVLP-UHFFFAOYSA-N 429.454 4.038 5 20 IIBD COc1ccc(-c2nc(C(=O)Nc3cc(C)nn3-c3ccc([N+](=O)[O-])cc3)cs2)cc1 514912592 IIZDLTKIACQERV-UHFFFAOYSA-N 435.465 4.473 5 20 IIBD Cc1[nH]c2ccccc2c1C1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 517294195 UCVXFOACLWHJQP-UHFFFAOYSA-N 440.887 4.383 5 20 IIBD CO[C@H](CNC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)c1ccccc1 517480144 QEWSSPYSNCFVRF-HSZRJFAPSA-N 447.491 4.009 5 20 IIBD COc1ccccc1-c1cccc(NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)c1 518405056 FFMSYJARPDNLHG-UHFFFAOYSA-N 429.436 4.412 5 20 IIBD C[C@H](Nc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)cc1)c1ccccc1 518867557 NKBLFGGSDBOIEC-HNNXBMFYSA-N 439.493 4.424 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 520287293 PEEFVMNGQWHLRB-OAHLLOKOSA-N 426.498 4.173 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(I)cc1 520436444 XWGOILZOORUQLT-SECBINFHSA-N 446.628 4.259 5 20 IIBD CCCCN(C1CC(C)(C)NC(C)(C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 521241539 UREAWNAEHLEIQK-UHFFFAOYSA-N 431.986 4.348 5 20 IIBD CC[C@@H](C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C)C(=O)Nc1cccc(N2CCCC2)c1 521973999 DVUPZRYCLYHVRA-ZHRRBRCNSA-N 438.528 4.287 5 20 IIBD O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cc(Cl)cc([N+](=O)[O-])c1 522887340 YBPGVOIOIKGBHJ-UHFFFAOYSA-N 429.782 4.356 5 20 IIBD Cc1ccc(NCCCNC(=O)Nc2cccc(C)c2C(=O)N2CCCC2)c([N+](=O)[O-])c1 523556857 QPWDGSPORYJSLA-UHFFFAOYSA-N 439.516 4.071 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2CCc3c(O)cccc32)cc1[N+](=O)[O-] 524375806 DURIWSYKVUBBQK-HXUWFJFHSA-N 445.475 4.015 5 20 IIBD Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 524653648 FBZNHWXMLIPMES-JOCHJYFZSA-N 440.500 4.353 5 20 IIBD COc1cccc(Oc2ncccc2CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 525481981 VIAAATPFVGJSHC-UHFFFAOYSA-N 434.452 4.295 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)cc1[N+](=O)[O-] 525581538 FDCIALWNKFIISZ-UHFFFAOYSA-N 429.274 4.357 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(C[S@](=O)Cc3ncc(-c4ccccc4F)o3)co2)cc1 534063171 QLWDKAFUUULHKX-PMERELPUSA-N 427.413 4.493 5 20 IIBD Cc1ncc(-c2ccccc2)cc1NC(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 534852526 OJWHRQFGUMRCFJ-UHFFFAOYSA-N 432.480 4.043 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 535350730 ONKLASQNIKEJHZ-HXUWFJFHSA-N 431.452 4.422 5 20 IIBD CCc1csc(-n2cc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)c(C)s3)cn2)n1 536497832 QIVKJRLIOYRAFZ-UHFFFAOYSA-N 440.510 4.484 5 20 IIBD CCCN1C(=O)CCc2cc(N[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)ccc21 537992743 AQSHETAQUPLUQJ-CYBMUJFWSA-N 430.892 4.377 5 20 IIBD C[C@@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1cccc(N2CCCC2=O)c1 539448436 VGEGMRPGDVAPBJ-MRXNPFEDSA-N 430.464 4.275 5 20 IIBD O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 539800513 QBWUDURTQQLGGO-MRXNPFEDSA-N 440.308 4.063 5 20 IIBD CC(C)Oc1ccc([C@@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 540361421 FNNGYYJZEJYTEP-CYBMUJFWSA-N 436.306 4.434 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 540393466 KMNVSNHJPHKKMQ-KRWDZBQOSA-N 447.495 4.230 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCc3sccc3[C@H]2c2cccs2)cc1 541283277 ZDLFBHMSWPDZIR-IBGZPJMESA-N 434.564 4.139 5 20 IIBD O=C(Nc1n[nH]c(-c2cccc3ccccc23)n1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 542919907 GAYKGMNGNVSDRK-UHFFFAOYSA-N 425.351 4.387 5 20 IIBD Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 544163140 OPEYDBDPOHWXFM-UHFFFAOYSA-N 430.424 4.269 5 20 IIBD Cc1nn(C(F)F)c(C)c1Cc1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 545051177 UJTAVIDKGPATHV-UHFFFAOYSA-N 442.220 4.130 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(Cc2cc(Br)cnc2O)no1 547179625 UFEWAZJIHVWMSE-VIFPVBQESA-N 437.275 4.285 5 20 IIBD COCCCOc1cccc(CNC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c1 550322270 NKCDRRUPKRFKNT-UHFFFAOYSA-N 437.290 4.011 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 550398135 HZPRLYIALGFWOL-RDJZCZTQSA-N 446.345 4.306 5 20 IIBD CSC[C@@H]1CCCN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C1 554279276 IAZXKRCPCZXBFW-LLVKDONJSA-N 429.329 4.303 5 20 IIBD Cc1ccc([C@H](NC(=O)CN2CCOc3ccc([N+](=O)[O-])cc3C2)c2cccs2)cc1 558484034 QJUSQTKHTIDTQV-QHCPKHFHSA-N 437.521 4.065 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] 567098041 DOZJCWCNKVQNNF-DOTOQJQBSA-N 427.476 4.422 5 20 IIBD CC(C)[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCCO2)CCS1 574535878 YDJHANOQZNANES-RTBURBONSA-N 431.562 4.000 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCC(c2nnco2)CC1 580595307 ADQKROVPRAWTMU-UHFFFAOYSA-N 428.832 4.443 5 20 IIBD COc1ccc(CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C2CC2)c(OC)c1 582892698 CWTFMXRDIBLVFK-INIZCTEOSA-N 427.501 4.160 5 20 IIBD C[C@H](CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCO1)c1nccs1 582893846 YBRVATMACOIQHQ-CRAIPNDOSA-N 442.545 4.119 5 20 IIBD O=[N+]([O-])c1ccccc1Cc1noc(-c2sc(N3CCOCC3)nc2-c2ccccc2)n1 584078512 KTALMNYQCBAEBS-UHFFFAOYSA-N 449.492 4.196 5 20 IIBD C[C@H](C(=O)N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1 584697733 LKVDWIHMZCZPRK-OYHNWAKOSA-N 430.464 4.380 5 20 IIBD CC[C@@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C(C)(C)c1ccccc1 585760739 LTCYHQXQZKRZNI-QGZVFWFLSA-N 448.317 4.168 5 20 IIBD COc1cc([C@@H](C)NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1OCC(C)C 603719717 VQYZVXBYVRJBJJ-CYBMUJFWSA-N 449.891 4.108 5 20 IIBD CCN(Cc1cccc(Br)c1)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 603737334 AMTGYUQIYFCQJR-UHFFFAOYSA-N 429.274 4.205 5 20 IIBD CN(C)C(=O)COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cc1 603738337 JZWGWLJNCGRGRE-UHFFFAOYSA-N 435.436 4.106 5 20 IIBD CCN(CC)c1ccc(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cn1 603903667 OQVCCJBGKAPRPG-UHFFFAOYSA-N 433.512 4.378 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NCCOC1CCCCC1 604193061 SDBRNCZVNUBPDL-UHFFFAOYSA-N 448.523 4.456 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C 604447208 RNRIQWBZRPIPPX-XIKOKIGWSA-N 449.294 4.308 5 20 IIBD O=C(Nc1ccccc1NC(=O)c1cccs1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 608808750 AYDIXFGTXWGVSD-UHFFFAOYSA-N 433.449 4.347 5 20 IIBD O=C(Nc1ccc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cc1Cl)c1ccco1 608940959 LXWJBYNLFVWCOG-UHFFFAOYSA-N 443.799 4.117 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(I)cc1 609722515 IDRRBAHPUWTKTJ-UHFFFAOYSA-N 446.628 4.260 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C3CCCCCC3)[nH]n2)cc1OC 609837094 CZRDMNCOMILEBC-UHFFFAOYSA-N 432.477 4.042 5 20 IIBD CC(C)N(Cc1ncc(-c2ccc3c(c2)OCO3)[nH]1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 609875846 HBVZCPWIIPOLCD-UHFFFAOYSA-N 442.859 4.418 5 20 IIBD O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 610879036 JHAUXZKWNZVZAT-MRXNPFEDSA-N 430.455 4.074 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3Cc4ccccc4C(F)(F)C3)cc2)c(C)c1[N+](=O)[O-] 610918818 FAYMTVOIJJSLBC-UHFFFAOYSA-N 426.423 4.204 5 20 IIBD CCCOc1cc(NC(=O)N(C)[C@@H]2CCCc3c2cnn3C)c([N+](=O)[O-])cc1OCCC 610972867 FSKQKFGTGXAUTG-QGZVFWFLSA-N 445.520 4.447 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N(C)[C@@H]2CCCc3c2cnn3C)cc1[N+](=O)[O-])c1ccccn1 610977181 XETWCBKVAYXWMN-FOIQADDNSA-N 434.500 4.046 5 20 IIBD COc1cc(Cc2noc(-c3cnc(-c4ccccc4)nc3C)n2)c([N+](=O)[O-])c(OC)c1 618439133 HXOSAQNXDLGCSP-UHFFFAOYSA-N 433.424 4.018 5 20 IIBD CNC(=O)COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)c(C)c1 619458803 QDXNLWIEFTWEKX-UHFFFAOYSA-N 443.525 4.315 5 20 IIBD COc1cc(C(=O)OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1[N+](=O)[O-] 725948162 OZDJQRTZHBKTDV-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 727382746 NXNQYTRQMRLRPF-KBXCAEBGSA-N 432.521 4.077 5 20 IIBD Cc1ccc(C(=O)N2CCC[C@H](C(=O)OCc3cc([N+](=O)[O-])ccc3OC(C)C)C2)cc1 729117722 KTBDEJNTICWYAK-IBGZPJMESA-N 440.496 4.286 5 20 IIBD Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(I)c([N+](=O)[O-])c2)s1 730498225 UUYGECFJCBJYMF-SECBINFHSA-N 445.282 4.106 5 20 IIBD O=C(OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1cc2ccc(F)cc2s1 730702548 BPZKNVJJFNJJDX-HNNXBMFYSA-N 428.441 4.410 5 20 IIBD O=C(CN1CCC([C@@H](O)c2ccc(Cl)cc2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 731484636 RTQCQKCYWYKNTB-FQEVSTJZSA-N 438.311 4.286 5 20 IIBD CC(C)(C)CN(CC(F)(F)F)C(=O)c1ccc(I)c([N+](=O)[O-])c1 731991140 KXQIXTWMGFNJHJ-UHFFFAOYSA-N 444.191 4.250 5 20 IIBD C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(CSc2ccccn2)c1 733388385 WPAXMAOUOMRBOV-OAHLLOKOSA-N 437.477 4.466 5 20 IIBD COc1ccc([C@@H](OC(=O)CSc2ccc([N+](=O)[O-])cc2)[C@H](C)n2cccn2)cc1 734083156 JRGGFIBLDLBSKN-BTYIYWSLSA-N 427.482 4.438 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H](c1ccccc1)C1CCOCC1 734349493 FJFQAYQBBMTMCD-SANMLTNESA-N 426.516 4.439 5 20 IIBD O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 734896612 SYXXDRNYICVSFU-MRXNPFEDSA-N 441.292 4.160 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)NC1CCN(C[C@H]2CCCO2)CC1 735368070 IWIHFSBIDSMOCA-JOCHJYFZSA-N 440.500 4.152 5 20 IIBD COc1ccc([C@H]2[C@H](C(=O)Oc3cc([N+](=O)[O-])c(Cl)cc3C)CCC(=O)N2C)cc1 735644454 ORYUWIRKLFNBQG-QRWLVFNGSA-N 432.860 4.080 5 20 IIBD CC(C)C[C@H](NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1 740410356 OTIZMKYHDQNOIM-SFHVURJKSA-N 449.301 4.418 5 20 IIBD O=C(COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(C(F)(F)F)cc1 744097103 FCGIOXGUWVIUKL-UHFFFAOYSA-N 436.264 4.428 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@@H](C)c3cccc(OC)c3)CC2)ccc1[N+](=O)[O-] 744203416 ITECQLPSRXJSMA-INIZCTEOSA-N 428.485 4.318 5 20 IIBD C[C@H](CC(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1C(F)(F)F 745222653 LRWHTMXVYUCVAT-LLVKDONJSA-N 428.338 4.428 5 20 IIBD C[C@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(Cc2cc(Cl)ccc2[N+](=O)[O-])C1=O 746049060 ROTAPXGEQSADHO-QGZVFWFLSA-N 427.766 4.234 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 746241847 POLAHQNAFJFIRT-NFBKMPQASA-N 441.503 4.065 5 20 IIBD COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccc([N+](=O)[O-])cc1F 746985817 KHWBVKQMYQSXAG-SFHVURJKSA-N 434.420 4.052 5 20 IIBD C[C@H](OC(=O)c1cc(-c2cccc(Cl)c2)no1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 748925676 OVXGKINJXBLLOM-JTQLQIEISA-N 433.779 4.226 5 20 IIBD CSc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 748950082 YKEREEJWUSTQFA-LBPRGKRZSA-N 433.442 4.026 5 20 IIBD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc21 749131224 PXBRXZQHKKNJTH-UHFFFAOYSA-N 428.876 4.324 5 20 IIBD COc1ccc(C(=O)CCC(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1F 751712689 CORKOMWAUFIJHF-LBPRGKRZSA-N 443.387 4.060 5 20 IIBD O=C(COC(=O)CCc1ccc(F)cc1F)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 751852837 TVXWVXPQBPSUKZ-UHFFFAOYSA-N 432.301 4.006 5 20 IIBD O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 753638353 YUUAHZDUSULSBZ-UHFFFAOYSA-N 436.302 4.245 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc2c1CCN2C(=O)OC(C)(C)C 753983966 NUHVSIVQYVEEOH-UHFFFAOYSA-N 433.486 4.002 5 20 IIBD C[C@@H](C(=O)N1CCO[C@@H](c2ccccc2Br)C1)c1ccc([N+](=O)[O-])cc1F 754394119 HKYFLPTWEUQYIA-KZULUSFZSA-N 437.265 4.200 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC(c2nc3ccccc3[nH]2)CC1 754633328 WZFGRAOWQIRUJO-UHFFFAOYSA-N 447.264 4.393 5 20 IIBD CC[C@@H]1CCCN(C(C)(C)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 754636942 SYJRIABLTRHRMO-GFCCVEGCSA-N 430.318 4.127 5 20 IIBD C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754967317 MFEYRMCMCCPCOE-SOZUMNATSA-N 437.265 4.487 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)OCc1coc(-c2cccc(F)c2)n1 756523986 BPJVEAPREXABKX-UHFFFAOYSA-N 435.205 4.437 5 20 IIBD CC(C)CNC(=O)c1cccc(COC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1 756529025 QQPHPNWIYRGVGJ-UHFFFAOYSA-N 449.301 4.029 5 20 IIBD Cc1ccc(-c2cncc(C(=O)OCCNC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)cc1 757882710 WMSGNBOIXXIXQS-UHFFFAOYSA-N 439.855 4.205 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCc1nc(O)c2ccc(C(F)(F)F)cc2n1 758739053 UDRKSFHBJCUDAO-UHFFFAOYSA-N 446.341 4.030 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cnc(Cl)c(Br)c2C)cc([N+](=O)[O-])c1 759285386 YXEYQONURWHYBA-UHFFFAOYSA-N 442.653 4.143 5 20 IIBD Cc1nc(COc2cccc(C(=O)O[C@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)c2)cs1 759955567 XZQCQESPWJNSMM-OALUTQOASA-N 442.497 4.476 5 20 IIBD COc1ccc(C)cc1-n1ccc(C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)n1 760502268 FUTMMYMCZOLKIG-UHFFFAOYSA-N 434.408 4.110 5 20 IIBD COc1ccc(Cc2noc(-c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)n2)c(Cl)c1OC 761807525 LPNHAJKGMJSSTK-UHFFFAOYSA-N 441.831 4.092 5 20 IIBD C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1nc(-c2ccccc2)no1 762154985 JASZEDZJZVUTEC-JTQLQIEISA-N 449.236 4.080 5 20 IIBD CCC[C@H](NC(=O)c1ccccc1)c1noc(-c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)n1 762308579 OOAQFXHCCHOKAH-KRWDZBQOSA-N 432.440 4.102 5 20 IIBD C[C@@H](C(=O)OCC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 763404479 PVKHAEZPSQOTHO-GFCCVEGCSA-N 425.268 4.207 5 20 IIBD COc1c([N+](=O)[O-])cc(N[C@@H]2CCO[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])c1Br 764178379 HVLKPXSHPCTFHO-BXKDBHETSA-N 432.271 4.280 5 20 IIBD Cc1cc(S(=O)(=O)N2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)cc([N+](=O)[O-])c1F 767246334 BRIUGSOGSBRPSR-ZDUSSCGKSA-N 432.395 4.239 5 20 IIBD Cc1sc(S(=O)(=O)Oc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)cc1[N+](=O)[O-] 767596943 NSFLCUWDKLUZMH-LLVKDONJSA-N 442.515 4.318 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N(Cc1ccccc1)C[C@@H](O)c1cccc(C)c1 769031977 CFTQXTWQYOLVGI-HSZRJFAPSA-N 449.507 4.357 5 20 IIBD O=C1OCc2c1cccc2S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 771905558 PHXDGZKLGGNVIN-UHFFFAOYSA-N 448.503 4.279 5 20 IIBD CC[C@](C)(COc1ncccc1Cl)NC(=O)c1cc([N+](=O)[O-])ccc1Br 772241669 IUIACRUTISXGCU-QGZVFWFLSA-N 442.697 4.383 5 20 IIBD COCCOc1c(Cl)cc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc1Cl 773904054 SYURKGQZAWDXTM-UHFFFAOYSA-N 444.227 4.396 5 20 IIBD C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 780926386 SGNAGCHIBJUMEW-QKVFXAPYSA-N 440.421 4.341 5 20 IIBD COc1ccc(C)cc1[C@H](C)OC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 781622695 OZOPNHCNJAULFK-ZDUSSCGKSA-N 428.470 4.110 5 20 IIBD O=C(OCc1nc(-c2ccc(F)c(F)c2)no1)c1cccc([N+](=O)[O-])c1Br 781676703 WUZPFHICMUQDIW-UHFFFAOYSA-N 440.156 4.043 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2c(F)ccc(Br)c2F)cccc1[N+](=O)[O-] 785215661 WTGWTPJYONNQFJ-VIFPVBQESA-N 443.200 4.128 5 20 IIBD Cc1ccc([C@H](C)NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1[N+](=O)[O-] 787275263 MERYPWWFKXFNTF-NSHDSACASA-N 426.351 4.391 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)CC1 791827804 JPVICTMACVMJFJ-OAQYLSRUSA-N 436.556 4.083 5 20 IIBD Cc1c(CNC(=O)C(=O)Nc2ccc(N3CCCCCCC3)c(F)c2)cccc1[N+](=O)[O-] 792314099 QEABTTKKWYNTJT-UHFFFAOYSA-N 442.491 4.068 5 20 IIBD COc1cc(C(=O)Nc2sc(C)c(-c3ccccc3)c2C(N)=O)cc([N+](=O)[O-])c1C 792525242 KBKPNQFOHZBXRR-UHFFFAOYSA-N 425.466 4.300 5 20 IIBD COc1ccccc1CN(C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C1CC1 793033390 DLPKCRCYQUWMGO-UHFFFAOYSA-N 425.485 4.031 5 20 IIBD CCC(=O)c1ccc(N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c([N+](=O)[O-])c1 795245062 XHQTUNMATCMTHZ-GOSISDBHSA-N 425.485 4.330 5 20 IIBD COc1cc([N+](=O)[O-])ccc1COC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 797470476 DVSHXVHHUJJIAC-UHFFFAOYSA-N 435.845 4.142 5 20 IIBD CCCN(C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)c1cccc([N+](=O)[O-])c1 799411119 JGCMQIAKGKYBEO-UHFFFAOYSA-N 428.466 4.219 5 20 IIBD CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3c(F)ccc([N+](=O)[O-])c3C)cc2c1C 800051951 BEDRWKGHKLGTPN-UHFFFAOYSA-N 436.417 4.074 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCc1ccc(Sc2ccccc2)cc1 800619019 YBBOIIKYRZVZMC-UHFFFAOYSA-N 439.468 4.448 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2ccc(-c3nc(CCC(C)(C)[N+](=O)[O-])no3)cc2)c1 812813739 CGQNFBXDFQXFKL-UHFFFAOYSA-N 444.513 4.142 5 20 IIBD C[C@H](OC(=O)c1cccc(F)c1Br)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 814506059 FBJBXLHCYHYXPK-QMMMGPOBSA-N 445.628 4.334 5 20 IIBD CCOC(=O)c1oc2ccccc2c1CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 815284202 XXJGLSYJEAXMJT-UHFFFAOYSA-N 436.342 4.467 5 20 IIBD CN(C)c1cc(F)c(C(=O)Nc2ccnc(N3CCc4ccccc4C3)c2)cc1[N+](=O)[O-] 816842606 XYFVLDMRYUIYQX-UHFFFAOYSA-N 435.459 4.010 5 20 IIBD CC(C)N(Cc1ccccc1)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 823240028 SGTVLPUQHBOOBD-UHFFFAOYSA-N 439.512 4.179 5 20 IIBD O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)Nc1cc([N+](=O)[O-])c(F)cc1F 825487924 IVEQDOYETCEOOY-UHFFFAOYSA-N 448.432 4.012 5 20 IIBD CSc1ccc(C(=O)O[C@H](C(=O)N[C@H]2CCOc3ccccc32)C(C)C)cc1[N+](=O)[O-] 876684375 DEOCJKAFEAGASN-JXFKEZNVSA-N 444.509 4.138 5 20 IIBD Cc1cc(-c2noc([C@@H]3CCCCN3S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)ccc1F 904401515 RXLLJYRBMQJFDU-SFHVURJKSA-N 446.460 4.008 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1Br)C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 907642940 CGQAMTYRPKBZFZ-JTQLQIEISA-N 442.649 4.204 5 20 IIBD COc1ccc(Oc2cc(CNc3c([N+](=O)[O-])cc(CO)c(C)c3[N+](=O)[O-])ccn2)cc1 917083130 HNBBUOHJUSJHRH-UHFFFAOYSA-N 440.412 4.112 5 20 IIBD COc1cc(C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)ccc1OC1CCCC1 917309837 HDLTYKQRFGUYON-UHFFFAOYSA-N 439.424 4.332 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)c1sc2cc(F)ccc2c1Cl 917444262 RVLIBABMBARCOF-UHFFFAOYSA-N 428.850 4.029 5 20 IIBD COc1ccc(CNC(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)cc1[N+](=O)[O-] 918040044 SYGHBRMKTGAUJJ-UHFFFAOYSA-N 440.500 4.330 5 20 IIBD CC(C)N(Cc1cccc(F)c1)C(=O)c1cc([N+](=O)[O-])ccc1I 918564792 IGYLTMHLQHCBEF-UHFFFAOYSA-N 442.228 4.389 5 20 IIBD O=C(c1ccc(OCc2ccccc2)cc1)N1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 919963382 JCMJDTHKNZQQSH-UHFFFAOYSA-N 435.455 4.275 5 20 IIBD Cc1cc(C(=O)OCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)cc([N+](=O)[O-])c1 920899230 BDGKLJCFCPVZOE-QGZVFWFLSA-N 439.449 4.092 5 20 IIBD CCc1ccc(-c2nc(COC(=O)COc3ccc([N+](=O)[O-])c(OC)c3)cs2)cc1 921112680 WTTNHAGBXUTMBN-UHFFFAOYSA-N 428.466 4.412 5 20 IIBD Nc1c(C(=O)Nc2ccc(Oc3cccnc3)cc2)cc(Br)cc1[N+](=O)[O-] 1117677497 HCAXMOFCDGAXMV-UHFFFAOYSA-N 429.230 4.379 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(-c2cccc(CS(=O)(=O)NC(C)(C)C)c2)n1 1320326181 DFNIZRWHGWKVKI-UHFFFAOYSA-N 444.513 4.147 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(C)c([N+](=O)[O-])c4)CCC3)cc2)no1 1787467259 CKDCQGSCLSNJPT-UHFFFAOYSA-N 448.479 4.190 5 20 IIBD Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CC2CCC(C)(C)CC2)C3)ncc1[N+](=O)[O-] 1797072894 VRIQGKUFXYXCFN-REPLKXPHSA-N 442.560 4.157 5 20 IIBD Cc1cccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccccc2[N+](=O)[O-])c1 1804337952 KMGKAIBGMMFWNY-SXXPHYJWSA-N 447.535 4.187 5 20 IIBD C/C=C(\C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 1814846098 KKLKQYBMOUSOKE-DQNSSFAQSA-N 445.907 4.172 5 20 IIBD CCC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3cccc([N+](=O)[O-])c3)[nH]n2)CCC1 1818946138 XTMUFYGOMGLDBQ-LJQANCHMSA-N 439.516 4.133 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CC=CCC2)[nH]n1 1823500570 GAJLNAZWDFWILT-FXIHAIIISA-N 449.511 4.380 5 20 IIBD Cc1c(C(=O)N2CC3(CCCN3C(=O)CCC3CCCC3)C2)cc(Cl)cc1[N+](=O)[O-] 1842599105 GAJHTQRFPVHMCU-UHFFFAOYSA-N 433.936 4.344 5 20 IIBD O=C(COC(=O)c1ccc(C(F)(F)F)cc1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 10648279 XGVJYRSOGIKZEG-UHFFFAOYSA-N 436.264 4.428 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc(Br)c([N+](=O)[O-])c1 16777805 VUGVTZDLIDXSDT-UHFFFAOYSA-N 443.301 4.149 5 20 IIBD CC(=O)NCCCc1ccc(-c2csc(NC(=O)c3cccc(C)c3[N+](=O)[O-])n2)cc1 18706452 GGDZWPOPWOGNBT-UHFFFAOYSA-N 438.509 4.348 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc2c(n1-c1ccccc1)CCCC2 21727794 COXFJQKSNHQUTC-UHFFFAOYSA-N 438.509 4.399 5 20 IIBD CCc1ccc(-c2csc(NC(=O)COc3ccc(C(=O)OC)cc3[N+](=O)[O-])n2)cc1 24937837 SNYWYEARTFSEKM-UHFFFAOYSA-N 441.465 4.085 5 20 IIBD Nc1ccc(C(=O)NCc2ccccc2-c2ccc(CN3CCCC3)cc2)cc1[N+](=O)[O-] 26402917 ORGTZASPCILNOC-UHFFFAOYSA-N 430.508 4.370 5 20 IIBD Cc1c(C(=O)N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)cccc1[N+](=O)[O-] 29256240 NEXKOEXUMYPTOV-UHFFFAOYSA-N 440.500 4.124 5 20 IIBD COc1ccc([N+](=O)[O-])cc1OCC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 32849692 QKBISQOVJCZLOG-HNNXBMFYSA-N 427.438 4.015 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC(OCc2ccccc2)CC1 46624376 WEEOUCKZOIUMEY-UHFFFAOYSA-N 426.516 4.363 5 20 IIBD CC(C)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2I)cc1 58519299 LCAXLEOFEXNFKA-UHFFFAOYSA-N 426.210 4.239 5 20 IIBD Cc1ccc([C@H](OC[C@H](O)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)c2ccccc2)cc1 59374289 NKGPLMONIFUXPT-DNQXCXABSA-N 444.491 4.329 5 20 IIBD O=C(c1csc(-c2ccc(Cl)s2)n1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 109331922 HGRUKHOJPYJYBW-UHFFFAOYSA-N 448.957 4.391 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])cn1)N(CCc1ccccc1)c1nc(-c2ccccc2)cs1 219534744 BETFOBDQMAQXBK-UHFFFAOYSA-N 433.493 4.191 5 20 IIBD O=[N+]([O-])c1c(Sc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)nc2sccn12 301107680 UWDNXIRVLKTTMG-CYBMUJFWSA-N 446.489 4.032 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCc2[nH]c3ccc(Cl)cc3c2C1 301221660 AQAQJWDBWOBXIM-UHFFFAOYSA-N 441.843 4.289 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1Oc1ccc(Br)cc1F 301273738 VZQNXPRVCHDVDE-UHFFFAOYSA-N 426.166 4.285 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(NCC2(c3cc(F)cc(C(F)(F)F)c3)CC2)s1 302628153 FWHBDBGILANIJB-UHFFFAOYSA-N 438.424 4.361 5 20 IIBD CS(=O)(=O)c1cc(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1 409937477 LXHKBFQZJOFUAH-HXUWFJFHSA-N 444.896 4.171 5 20 IIBD C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)[C@@H](C(N)=O)C1 428634733 BPMVUUSIGKCUSQ-SJKOYZFVSA-N 433.917 4.125 5 20 IIBD C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 428787489 QITMJPKQXKTSQW-YJYMSZOUSA-N 438.402 4.442 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 428934439 WJTUZHVWCFDYOJ-LIRRHRJNSA-N 437.418 4.323 5 20 IIBD Cc1cc(C)c(NC(=O)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(Br)c1 431739589 DGPWLRDAFHPJQE-ZDUSSCGKSA-N 434.290 4.098 5 20 IIBD COc1ccc(C2=NN(C(=O)COc3cc(F)cc([N+](=O)[O-])c3)[C@H](c3ccco3)C2)cc1 433415076 ZMIJGLSOZMTNPE-FQEVSTJZSA-N 439.399 4.092 5 20 IIBD C[C@@]1(CCc2ccccc2)CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C1 434234889 FUQZDADWAWHINH-FDDCHVKYSA-N 441.553 4.132 5 20 IIBD CC[C@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCS1 437088715 DHVFDPDXBHCJBK-AWEZNQCLSA-N 433.917 4.468 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437928608 SVTRFVNALLQCLY-UHFFFAOYSA-N 433.512 4.331 5 20 IIBD COc1ccc(Oc2ccc(NC(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)cn2)cc1 438431488 RDJFGORSUNKYLJ-UHFFFAOYSA-N 449.467 4.145 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 443747402 NLWYVTWGNKCCQU-NSHDSACASA-N 439.852 4.097 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCCC[C@H](N2CCCC2)C1 444014358 ZJDCIFVEQARPDK-INIZCTEOSA-N 425.479 4.050 5 20 IIBD COc1cccc(C(=O)NCc2ccccc2-c2ccc(Cn3cccn3)cc2)c1[N+](=O)[O-] 444143385 KBKRXYSIIQVGBL-UHFFFAOYSA-N 442.475 4.445 5 20 IIBD CC(C)(CO)[C@@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1ccccc1 444246891 FEZVMBIIHYYTQR-FQEVSTJZSA-N 432.495 4.353 5 20 IIBD O=C(Cc1noc(/C=C\c2cccc(C(F)(F)F)c2)n1)NCc1ccc([N+](=O)[O-])cc1 445721820 HKOORUKAUNLQEY-TWGQIWQCSA-N 432.358 4.026 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)N1CCc2ncsc2C1 446079613 JUPHRVGYIOYWJH-LJQANCHMSA-N 428.901 4.443 5 20 IIBD CN(C)c1cccc([C@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 447030635 OYPQYCPIICEHSS-QGZVFWFLSA-N 443.447 4.205 5 20 IIBD O=C(NCc1cnn(-c2ccc(Br)cc2)c1)c1ccc([N+](=O)[O-])cc1Cl 447064005 SBYUEVDERBSZKN-UHFFFAOYSA-N 435.665 4.126 5 20 IIBD CCNc1ccc(C(=O)N2CCN([C@@H](CC)c3ccc(F)cc3F)CC2)cc1[N+](=O)[O-] 460558631 PTBMUCQSAALTII-FQEVSTJZSA-N 432.471 4.214 5 20 IIBD CCOc1cc(NC(=O)N2CCN([C@@H](C)c3ccsc3)CC2)c([N+](=O)[O-])cc1OCC 462255977 SJZZLEZCUMOGIP-HNNXBMFYSA-N 448.545 4.364 5 20 IIBD CCC[C@@H](NC(=O)[C@@H](CC)Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2sccc2C1 462482100 DQOBBXZQGORRLW-FXAWDEMLSA-N 443.569 4.095 5 20 IIBD C[C@@H](C(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1)C(F)(F)F 463134371 JJGBCFWXJFDAHO-ZDUSSCGKSA-N 427.448 4.166 5 20 IIBD CN(CC(=O)N1CCC[C@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1)c1ccccc1[N+](=O)[O-] 463737904 UAYRRNNQXIFOGM-FQEVSTJZSA-N 439.903 4.438 5 20 IIBD COc1ccc(O[C@H](C)CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1 464147330 ZUTBUDOGFCXUKP-QGZVFWFLSA-N 435.480 4.413 5 20 IIBD Cc1nn(CCC(=O)Nc2cc(Br)cc(C(F)(F)F)c2)c(C)c1[N+](=O)[O-] 464150864 FQYGIKAAIZPDIS-UHFFFAOYSA-N 435.200 4.218 5 20 IIBD CCOc1ccc(C2=CCN(S(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc34)CC2)cc1 464193215 OPLCZTAHGOIVJY-UHFFFAOYSA-N 439.493 4.020 5 20 IIBD CN1CCC(N(C[C@H]2C[C@H]3C=C[C@H]2C3)C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 464693508 UPLDAPDGMCWRTA-HRCADAONSA-N 437.462 4.362 5 20 IIBD COc1cc(C(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)c([N+](=O)[O-])cc1OC(F)F 466310216 ZGMGHNGNSHPXCS-KRWDZBQOSA-N 442.802 4.072 5 20 IIBD CCN(Cc1ccccc1Br)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 467808967 UYEJDYDNQBJOGB-UHFFFAOYSA-N 444.285 4.333 5 20 IIBD O=C(NCc1ncnn1-c1ccccc1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 467922190 GSXYAUSVPGHSQO-UHFFFAOYSA-N 431.477 4.257 5 20 IIBD C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC2(CCOCC2)O1 468545192 WCBVKJTYEQHNPG-INIZCTEOSA-N 434.558 4.287 5 20 IIBD COc1cccc(NCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)c1[N+](=O)[O-] 475362782 OGMQIBFDWJGHOV-UHFFFAOYSA-N 437.475 4.076 5 20 IIBD CCc1[nH]nc(C(=O)Nc2cc(Cl)c(OCC(F)(F)F)c(Cl)c2)c1[N+](=O)[O-] 477316856 BYERRGIYCSHDPP-UHFFFAOYSA-N 427.166 4.381 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3cc(Oc4ccccc4)ccn3)CC2)ccc1[N+](=O)[O-] 477362201 NMWVADTVALSOEK-UHFFFAOYSA-N 448.479 4.143 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3cc(F)ccc3-c3ccoc3)CC2)ccc1[N+](=O)[O-] 477382085 QJQGNNDQCNGOEN-UHFFFAOYSA-N 439.443 4.355 5 20 IIBD CC[C@@H](C)c1ncc(NC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])cn1 478279938 LUNLCTWCHGGYEH-GFCCVEGCSA-N 443.485 4.195 5 20 IIBD Cc1cc(C(=O)N2CCC(C)CC2)ccc1NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] 480215606 SDCPKMBVBGYGPK-UHFFFAOYSA-N 445.541 4.193 5 20 IIBD CSc1cccc(N(C(=O)CCNc2ccccc2[N+](=O)[O-])C2CCN(C)CC2)c1 484298278 SZTIQLBEFILUIK-UHFFFAOYSA-N 428.558 4.246 5 20 IIBD Cc1c(CNC(=O)Nc2ccnn2Cc2ccc(Br)cc2)cccc1[N+](=O)[O-] 484778784 HHONRHISGZLNGB-UHFFFAOYSA-N 444.289 4.232 5 20 IIBD CCOc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1OC(F)F 485579989 OPSGWYOYPYEIAS-UHFFFAOYSA-N 432.326 4.126 5 20 IIBD CC(=O)N1CC[C@H](NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c2ccccc21 486442283 OOLVUOYXEWBVGP-QFIPXVFZSA-N 445.475 4.402 5 20 IIBD COC(=O)c1cc(NC(=O)NCCc2ccccc2C(F)(F)F)c(C)c([N+](=O)[O-])c1 486876250 VRFNHMUBPMQXGX-UHFFFAOYSA-N 425.363 4.073 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 487414373 QFNUGYPXBIUKGM-QGZVFWFLSA-N 442.541 4.402 5 20 IIBD C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 488898504 ONLNYSYBCDMWNQ-AWEZNQCLSA-N 445.498 4.287 5 20 IIBD Cc1cc(C)c(S(=O)(=O)N(C)[C@@H](c2ccc(Cl)cc2)c2cnccn2)cc1[N+](=O)[O-] 493936843 LTKPWMNFFKOPAQ-FQEVSTJZSA-N 446.916 4.065 5 20 IIBD O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 494122093 YEHPXIWPQLQXHR-SNVBAGLBSA-N 431.773 4.415 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)C1(O)CCSCC1 495483435 LYWCTQVGRZFJOJ-UHFFFAOYSA-N 440.880 4.054 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1 497915508 SSFTZIYNRLWCDE-UHFFFAOYSA-N 435.455 4.275 5 20 IIBD CC(C)(C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1ccccc1[N+](=O)[O-] 498217323 SHSBBCNYEYIVFB-MRXNPFEDSA-N 436.295 4.101 5 20 IIBD O=C(NC1(c2ccc(F)cc2F)CCCCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 498778069 GEPSGFQAAJHCRK-UHFFFAOYSA-N 427.411 4.043 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N[C@H](CCCO)c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 501934760 XUYGZIUKKHLVAA-DYESRHJHSA-N 434.496 4.407 5 20 IIBD COc1cc(C(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)cc([N+](=O)[O-])c1OC 503838683 FUWYZRVDBYAIBW-GOSISDBHSA-N 441.871 4.374 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)cc1OC 504167147 PQHDAXLVHOMZIP-UHFFFAOYSA-N 446.790 4.136 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)C(=O)N(C)CCc3ccccc3[N+](=O)[O-])cc2)cc1 506758366 QQSOSBAHNATBBS-UHFFFAOYSA-N 433.464 4.335 5 20 IIBD COc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1 507308621 FDCWUEJKXPUYKD-UHFFFAOYSA-N 426.494 4.303 5 20 IIBD C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[S@](=O)CCC(=O)Nc1ccccc1[N+](=O)[O-] 507679920 ZRJZEFJKQBWFLO-IDPPAEMMSA-N 448.888 4.137 5 20 IIBD O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 508116911 HWKCPGHWQLFAEH-ZDUSSCGKSA-N 445.928 4.140 5 20 IIBD Cc1cc(=O)c(C(=O)N(Cc2ccsc2)c2ccccc2)nn1-c1ccccc1[N+](=O)[O-] 508508874 HYOQMWCLAOCIEM-UHFFFAOYSA-N 446.488 4.358 5 20 IIBD O=C(c1cc2cc(Br)ccc2o1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 509095632 OINDJLNHOJNTDK-UHFFFAOYSA-N 430.258 4.066 5 20 IIBD O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCN(Cc2ccccn2)CC1 509104949 ZGDAHZKISMTPPJ-UHFFFAOYSA-N 434.521 4.099 5 20 IIBD COc1ccc(C2(CNC(=O)NCc3ccc([N+](=O)[O-])cc3)CCCCC2)cc1OC 512038523 AWPGAGBSCNPBKR-UHFFFAOYSA-N 427.501 4.313 5 20 IIBD CC(C)OCc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2I)c1 512186981 VVLIXWMFJRJFQJ-UHFFFAOYSA-N 440.237 4.377 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 513031828 NQZZBVCIFBEBHY-UHFFFAOYSA-N 427.464 4.157 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)Nc2ccc3nc(C4CCCCC4)[nH]c3c2)cc1[N+](=O)[O-] 513836808 OFJXUPXROVOQQB-UHFFFAOYSA-N 442.497 4.175 5 20 IIBD COCCO[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C1 514068000 ZPIIQPOGCLALHV-GOSISDBHSA-N 447.919 4.128 5 20 IIBD COc1ccc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Br 515709065 MBULRCQIQIRKEO-SECBINFHSA-N 449.710 4.059 5 20 IIBD Cc1cc(C)c(-c2cc(NC(=O)Cn3cc([N+](=O)[O-])cn3)n(-c3ccccc3)n2)cc1C 516096037 HUCIYPZFHBESQK-UHFFFAOYSA-N 430.468 4.208 5 20 IIBD C[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(NC(=O)Nc2ccccc2)cc1 516498178 GCQKAOZGUTUJNN-CQSZACIVSA-N 448.435 4.459 5 20 IIBD Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 518279766 LYYZEKASZJUQOE-HNNXBMFYSA-N 425.514 4.070 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 519038957 TXFDRPAIGVFHBT-IBGZPJMESA-N 427.457 4.202 5 20 IIBD CC[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 522544327 OXRLZYIMIKRQHS-TZIWHRDSSA-N 443.931 4.299 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(CCC(=O)N2CCCC2)cc1 522584307 GFTOXQIMSHRBPM-UHFFFAOYSA-N 445.903 4.211 5 20 IIBD CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 522885863 XSCWFXQOEFCIRT-VFNWGFHPSA-N 431.920 4.357 5 20 IIBD CN(Cc1cccc(C(F)(F)F)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl 523298427 IYMZWNXHEVYHDB-UHFFFAOYSA-N 438.793 4.449 5 20 IIBD CC(C)C[C@H](C)Oc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)ccn1 523487607 NUHLSONSWUJEEF-ZDUSSCGKSA-N 436.306 4.496 5 20 IIBD COc1ccc(CC[C@H]2CCCCN2Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1OC 523606533 ZXBVHNXKMDFZQK-HXUWFJFHSA-N 442.512 4.466 5 20 IIBD C[C@H](Oc1ccc(C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)cn1)c1ccccc1 524155184 VLKITFMFEZUOGN-AWEZNQCLSA-N 430.424 4.167 5 20 IIBD COC(=O)c1ccc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c(F)c1 525310996 CEICNZRGAVDKHU-CYBMUJFWSA-N 438.415 4.341 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(COc3ccc(S(=O)(=O)N4CCCCC4)cc3)co2)cc1 535480525 ZTQDMJBIGULMNT-UHFFFAOYSA-N 443.481 4.003 5 20 IIBD CCCOc1cc(NC(=O)N2CC[C@H](C3CCN(C)CC3)C2)c([N+](=O)[O-])cc1OCCC 535946652 RPWNFMUOVBFQIN-SFHVURJKSA-N 448.564 4.368 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 537094023 LBNGEQIMXRZFCZ-SFHVURJKSA-N 429.498 4.465 5 20 IIBD O=C(Cc1c[nH]c2cc(Br)ccc12)NCCc1ccc(Cl)cc1[N+](=O)[O-] 537592187 XCGOOUCZLIXAIE-UHFFFAOYSA-N 436.693 4.393 5 20 IIBD O=C(NCCNc1ncnc2ccc([N+](=O)[O-])cc12)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 538823546 JBUQJMUAQCKRNB-JKSUJKDBSA-N 446.294 4.177 5 20 IIBD COc1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)ccc1[N+](=O)[O-] 538858460 WEANFFUZFJOOGV-JOCHJYFZSA-N 433.420 4.099 5 20 IIBD CC[C@H]1Oc2cc([C@H](C)NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])ccc2NC1=O 541262529 MONAHZGHLKGWFG-MEDUHNTESA-N 449.916 4.327 5 20 IIBD C[C@@H](O)C[C@@H](C)NC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 543044674 XBMGMMJOAWYNIR-VXGBXAGGSA-N 425.844 4.138 5 20 IIBD CC(C)NC(=O)Nc1ccc(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1 544198377 AQWFHUZTNCCACP-UHFFFAOYSA-N 436.921 4.187 5 20 IIBD COc1ccc(C(=O)C2CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)CC2)cc1 545124516 VWWPWULWNAYTOB-UHFFFAOYSA-N 428.460 4.142 5 20 IIBD CC(C)C(=O)N(C)Cc1ccc(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)cc1 545144788 QUVUMOSHXNMDJV-UHFFFAOYSA-N 433.468 4.331 5 20 IIBD COc1cc(Br)c(Cc2noc(-c3cccc([N+](=O)[O-])c3C)n2)cc1OC 546244578 DHWYTDBPUQIDAF-UHFFFAOYSA-N 434.246 4.324 5 20 IIBD O=[N+]([O-])c1ccc(Cc2nc(Cc3ccn(-c4c(F)cccc4F)n3)no2)c(Cl)c1 546532708 JLZRBSTZEGLRFE-UHFFFAOYSA-N 431.786 4.277 5 20 IIBD Cn1c(SCc2c(-c3ccccc3)nc3ccccn23)nc2cc([N+](=O)[O-])ccc2c1=O 547229295 LIPVHTCQOHMKPY-UHFFFAOYSA-N 443.488 4.449 5 20 IIBD COc1ccccc1C(C)(C)NCc1cc(I)cc([N+](=O)[O-])c1 562036607 KVDLXGPXBGPLJC-UHFFFAOYSA-N 426.254 4.233 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCN(Cc2ccccc2)CC1 565376977 XIIPGUSXMPUQAA-UHFFFAOYSA-N 430.508 4.165 5 20 IIBD Cn1nc(N[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cc1C1CC1 570893522 MWXKJKGQGUEGCZ-FQEVSTJZSA-N 425.876 4.651 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC(c3noc4cc(F)ccc34)CC2)c1C 573731548 XPKXFQMHKVZJRH-UHFFFAOYSA-N 433.461 4.060 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 574246014 KHNHVSXCGQSMOQ-KRWDZBQOSA-N 442.415 4.186 5 20 IIBD COc1cc(CNC[C@@]2(C)OCCc3sccc32)c([N+](=O)[O-])cc1OCC(F)(F)F 574489852 XOXDCQBKIIHJLZ-GOSISDBHSA-N 446.447 4.184 5 20 IIBD COCc1nc(CN[C@H](c2cccc([N+](=O)[O-])c2)c2nccn2C)c(-c2ccccc2)s1 576417796 RPXYWTSLQWUQEA-OAQYLSRUSA-N 449.536 4.477 5 20 IIBD Cc1ccc(C2(CNC(=O)CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])CCCC2)c(C)c1 577673936 LVRHKCPTDOCYAE-UHFFFAOYSA-N 443.931 4.223 5 20 IIBD Cc1sc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)nc1-c1c[nH]c2ncccc12 583818909 ZYRSPKPQXQBKLP-UHFFFAOYSA-N 429.408 4.362 5 20 IIBD Cc1cn(-c2cccc([N+](=O)[O-])c2)c(=O)n1Cc1cc(Br)cc2cccnc12 585707476 FZZTZSYBCSBRIQ-UHFFFAOYSA-N 439.269 4.215 5 20 IIBD CCS(=O)(=O)c1ccccc1NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 603571890 AZRAKCUQVBSNRD-HZPDHXFCSA-N 445.541 4.123 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCO[C@@H](c4ccc(F)cc4)C3)cc2[N+](=O)[O-])C1 603863915 VVGDXJFPDPNYGC-SAHWJRBASA-N 441.503 4.430 5 20 IIBD CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1OCC 604019117 CKNBMDPJXVBQAD-GFCCVEGCSA-N 428.894 4.085 5 20 IIBD O=C(Cc1csc(-c2cccc(Br)c2)n1)NCc1cccc([N+](=O)[O-])c1 604470647 LJROUMSBUMNNAD-UHFFFAOYSA-N 432.299 4.340 5 20 IIBD COc1ccc(CSCC(=O)N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cc1[N+](=O)[O-] 604519675 NVQHCCPFNDZNGB-WMZHIEFXSA-N 444.553 4.463 5 20 IIBD O=C(Nc1ccc(F)cc1)[C@H]1CCc2ccccc2N1C(=O)Cc1ccc([N+](=O)[O-])cc1 608871345 BBWMLVZJUDGYOS-JOCHJYFZSA-N 433.439 4.263 5 20 IIBD COc1cc(CN2CCC[C@@H]2c2cccc3c2OCCO3)c([N+](=O)[O-])cc1OC(F)F 608977568 RZZSIXCYIAZYFO-OAHLLOKOSA-N 436.411 4.313 5 20 IIBD COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2F)c([N+](=O)[O-])c1 609198293 GQWLEHDKVOIWBZ-UHFFFAOYSA-N 430.457 4.134 5 20 IIBD C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 609509369 TYYRJRZCGNZHPN-VBKZILBWSA-N 426.860 4.036 5 20 IIBD CC(C)n1ncc2cc(NC(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)ccc21 609764116 RGFNWBDDPBQKNU-UHFFFAOYSA-N 437.485 4.057 5 20 IIBD O=C(c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)N1CCc2c1cccc2[N+](=O)[O-] 609973941 PGEWNUALZPSCJL-UHFFFAOYSA-N 435.440 4.246 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)Cc1c[nH]c2ccc(Cl)cc12)c1ccccc1[N+](=O)[O-] 610038273 KXFQUCPLRMJLDD-LJQANCHMSA-N 443.887 4.471 5 20 IIBD COc1cc(C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc([N+](=O)[O-])c1OC 610174244 QPPNNGWXNPXENO-INIZCTEOSA-N 438.440 4.029 5 20 IIBD COc1cc(C(=O)NC[C@H](C)Cc2cccs2)c([N+](=O)[O-])cc1OCc1cscn1 610191519 QJCKDKSVHPXWOJ-CYBMUJFWSA-N 447.538 4.309 5 20 IIBD CCO[C@H]1C[C@H](N(C)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C12CCCCC2 610191929 LHBVSZYIDMMQMJ-VXKWHMMOSA-N 429.561 4.398 5 20 IIBD COc1ccc2c(c1)OCC[C@H]2NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 610234224 OOMGYXGCNAEPDY-LJQANCHMSA-N 425.485 4.093 5 20 IIBD O=C(Nc1cccc(CN2CCOCC2)n1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611246998 RLAIXBYVFNJRLY-UHFFFAOYSA-N 442.541 4.109 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 725733928 NLXSTUKYAURPDU-INIZCTEOSA-N 441.484 4.374 5 20 IIBD COC(=O)c1sc2ccccc2c1COC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 726811281 VYWDPGKFJYWGTR-UHFFFAOYSA-N 430.394 4.170 5 20 IIBD O=C(NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F)Nc1ccc([N+](=O)[O-])cc1Cl 726875483 CQECJNISBCIVHB-HNNXBMFYSA-N 438.189 4.473 5 20 IIBD Nn1c(COc2c(Cl)cccc2Cl)nnc1SCc1c(F)cccc1[N+](=O)[O-] 728789494 AQERCSACKDOUGA-UHFFFAOYSA-N 444.275 4.217 5 20 IIBD O=C(OCc1c(F)cccc1[N+](=O)[O-])c1ccccc1NS(=O)(=O)c1ccc(F)cc1 728990819 SVGOSIUCTBHTDS-UHFFFAOYSA-N 448.403 4.031 5 20 IIBD O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@H]1COC(=O)C1(c2ccc(F)cc2)CCCC1 730703844 MUBGSAGMDNRXGT-LJQANCHMSA-N 440.471 4.394 5 20 IIBD COC(=O)c1sc(-c2ccccc2)cc1OS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 731674092 YXXBHSIMAJLLGZ-UHFFFAOYSA-N 437.426 4.017 5 20 IIBD COc1cc(F)c([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1OC 733939104 GWXJRKPDTXWRJK-CQSZACIVSA-N 431.464 4.232 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)OC[C@@H]2CCC(=O)N(C)[C@H]2c2cccc(Cl)c2)c1 740599454 TXFQIMIQXOARPK-XOBRGWDASA-N 432.860 4.023 5 20 IIBD COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(C)c1 745336990 YDLZGFRZZMWHAI-ZDUSSCGKSA-N 441.465 4.219 5 20 IIBD Cc1cc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 747085293 PXKIOYLKKPGZOU-QGZVFWFLSA-N 441.532 4.444 5 20 IIBD O=C(O[C@@H]1CCN(c2ccccc2Cl)C1=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 747123013 CXOCXHVJHOJMGG-OAHLLOKOSA-N 428.750 4.229 5 20 IIBD CC1=C(C(=O)N(C)C)[C@H](c2cc(Cl)ccc2[N+](=O)[O-])NC(=S)N1c1cccc(F)c1 747959379 IITYANHRNXCCNQ-SFHVURJKSA-N 448.907 4.185 5 20 IIBD CNC(=O)c1cc(Oc2cc(C)ccc2NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])ccn1 748807442 DXKHIVVHTZDKNA-UHFFFAOYSA-N 440.843 4.356 5 20 IIBD O=C(Nc1cccc(NS(=O)(=O)c2ccccc2)c1)c1cccc(Cl)c1[N+](=O)[O-] 749910470 YXYBMBLTETYXGH-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1cc([N+](=O)[O-])ccc1Br 751101211 XCRNGALCYXIULJ-UHFFFAOYSA-N 432.274 4.236 5 20 IIBD COc1ccc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1-c1ccccn1 755017493 ZGSSLBHTTUQMLD-UHFFFAOYSA-N 441.827 4.114 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N(CCc1ccccc1)[C@@H]1CCOC1 755028550 OEDAKKNRLMQZJT-MRXNPFEDSA-N 434.290 4.223 5 20 IIBD O=c1c(-c2ccccc2)coc2cc(OC[C@@H](O)COc3cccc([N+](=O)[O-])c3)ccc12 755307139 MFAUAALCBALKKM-SFHVURJKSA-N 433.416 4.187 5 20 IIBD CC[C@H](OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccc(Br)cc1 761000278 MDXABLSUNDXEGN-HNNXBMFYSA-N 442.287 4.069 5 20 IIBD CCN(Cc1noc(-c2cc(Br)cc([N+](=O)[O-])c2)n1)C(=O)OC(C)(C)C 761942811 GMSBDTJEEHKEFO-UHFFFAOYSA-N 427.255 4.164 5 20 IIBD Cc1c(Cc2noc([C@H]3CC(=O)N(Cc4ccccc4Cl)C3)n2)cccc1[N+](=O)[O-] 762319629 KWRHERFNSQBFTG-INIZCTEOSA-N 426.860 4.047 5 20 IIBD COC(=O)c1ccc(OC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)cc1[N+](=O)[O-] 763710833 QXUHAQWHSSMRGG-UHFFFAOYSA-N 446.868 4.230 5 20 IIBD Cn1ccnc1[C@H](NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Cl)cc1 764779271 QJTJBBZZPYRFJZ-OAQYLSRUSA-N 425.920 4.330 5 20 IIBD C[C@@H](NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cc(F)ccc1N1CCC(O)CC1 765989326 YKZHTGSYMKALAT-QGZVFWFLSA-N 442.535 4.015 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 769629709 BRRKXSPPJVOVDI-UHFFFAOYSA-N 439.755 4.284 5 20 IIBD O=C(Oc1cccc(NC(=O)c2ccco2)c1)c1cc(Br)cc([N+](=O)[O-])c1 770528464 ONBBUTKGPCNZBW-UHFFFAOYSA-N 431.198 4.422 5 20 IIBD CC(C)(C)c1noc(CCCC(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)n1 773394763 PBKOFQCKRNRLGN-UHFFFAOYSA-N 426.267 4.104 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1NC(=O)C[C@H]1C=CCC1 777933653 SBJIHRDANPCHEU-AWEZNQCLSA-N 433.461 4.138 5 20 IIBD COC(=O)Nc1ccc(COC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 778096050 IYNUFWNPASJKND-UHFFFAOYSA-N 428.319 4.071 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCC[C@@H]1c1nc2ccccc2s1 781563551 QISGYTPCTYZQHP-MRXNPFEDSA-N 426.454 4.409 5 20 IIBD CC[C@@H]1C[C@H](CC(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)CCO1 781952365 UFQODPNNJBBHKN-SLYNCCJLSA-N 432.517 4.118 5 20 IIBD C[C@@H]1[C@H](C(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C 786458530 AZBVBFVKMGOAMB-WRWLIDTKSA-N 441.484 4.268 5 20 IIBD O=C(O[C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1)c1cnc(-c2ccccn2)s1 787025923 LXWDLVMITMDNTM-AWEZNQCLSA-N 428.445 4.078 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cc3ccccc3nc2Br)cc([N+](=O)[O-])c1 788109547 CTQBOXIZYREAFR-UHFFFAOYSA-N 444.241 4.335 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Oc2cccc(-c3ncn(C)n3)c2)cc1 789539315 STUVZAMIBBOOTO-UHFFFAOYSA-N 446.419 4.410 5 20 IIBD COc1ccccc1[C@H](C)N(C)C(=O)COc1cc(F)c(Br)cc1[N+](=O)[O-] 790296309 SVWGGWAVGHACHZ-NSHDSACASA-N 441.253 4.103 5 20 IIBD CCOC(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 793034557 OTOBCTIXHLFHFI-UHFFFAOYSA-N 428.445 4.038 5 20 IIBD CC(C)(C)OC(=O)N1CC=C(CCNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 793333636 WXLGENYVFKNMMQ-UHFFFAOYSA-N 430.549 4.111 5 20 IIBD CCCc1[nH]nc(C(=O)OCC(=O)Nc2ccccc2Sc2ccccc2)c1[N+](=O)[O-] 796259721 AUFQJHHAILMIOJ-UHFFFAOYSA-N 440.481 4.217 5 20 IIBD CCc1onc(-c2ccccc2)c1C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 796700953 SKUBTJALCVVHRV-QGZVFWFLSA-N 449.463 4.274 5 20 IIBD CC(C)(C)OC(=O)NCC[C@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 799362875 VAUXHNWUZVKACL-MRXNPFEDSA-N 430.505 4.377 5 20 IIBD CC(C)(C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1csc(-c2cccs2)n1 799857759 GQDHZHOTGROLQB-UHFFFAOYSA-N 442.566 4.406 5 20 IIBD C[C@H](OC(=O)C(C)(C)COCc1ccccc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 800290802 SVJNNYZTYDZITK-HNNXBMFYSA-N 425.441 4.492 5 20 IIBD CC(C)n1cc2c(n1)[C@H](NCc1cc(I)cc([N+](=O)[O-])c1)CCC2 810151631 LXYILNRJIJINRE-MRXNPFEDSA-N 440.285 4.144 5 20 IIBD CCOCC(C)(C)CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 813881035 KTFUVSLVKLXKKE-UHFFFAOYSA-N 433.892 4.293 5 20 IIBD C[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1ccc(N2CCCOC2=O)cc1 814264149 NHNLMFLGEGDLHM-MRXNPFEDSA-N 438.484 4.351 5 20 IIBD C[C@]1(C(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCCN1C(=O)c1ccccc1 815209835 FZFZCLYTOGOFCA-HXUWFJFHSA-N 436.386 4.352 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CCC(OC[C@H]2CCCO2)CC1 815347257 XZWJYJWGDHBWRA-QWFMPGPPSA-N 431.407 4.411 5 20 IIBD C[C@H](c1ccc(F)cc1)N(C)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 815511167 YICSTBUMPCZYTN-LLVKDONJSA-N 428.338 4.129 5 20 IIBD CC[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C(=O)Nc1ccc(OC)cc1 815512483 XANRDTDCVATLJY-INIZCTEOSA-N 426.347 4.196 5 20 IIBD O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 914744548 WICVHMJJEVJSMV-MYJAWHEDSA-N 429.273 4.142 5 20 IIBD C[C@H](OC(=O)COc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1Oc1ccccc1 914912074 YWHMTLUYYSEHFX-INIZCTEOSA-N 436.420 4.336 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N(C)c2ccc(F)cc2)cc1 917777692 HAGUOEJQBHWEKA-UHFFFAOYSA-N 444.440 4.087 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCN(c2ccc3ccccc3n2)CC1 918047121 NZKQBQRTULMPEE-UHFFFAOYSA-N 445.523 4.096 5 20 IIBD CCn1c(SCC(=O)OCCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1C 918811173 WXUGUQSDCMQLKE-UHFFFAOYSA-N 426.498 4.060 5 20 IIBD Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C1/N=C(c2cccc([N+](=O)[O-])c2)OC1=O 920391420 DQNGYEOKAUZKPD-RGVLZGJSSA-N 436.855 4.454 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1Oc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] 921060574 QVYJDBFEYDHVBE-UHFFFAOYSA-N 426.712 4.242 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 1116336886 WRZNGNVZNPYWCH-FQEVSTJZSA-N 425.485 4.136 5 20 IIBD O=C(OCCc1ccc([N+](=O)[O-])cc1)c1nn(-c2ccccc2F)cc1Br 1251201271 KIBWQWDPWINJHQ-UHFFFAOYSA-N 434.221 4.082 5 20 IIBD Cc1ccc(-c2nnc(COc3ccccc3[N+](=O)[O-])o2)cc1I 1322205781 REBOWDGSDQPJDW-UHFFFAOYSA-N 437.193 4.137 5 20 IIBD O=[N+]([O-])c1ccc(CNc2cccc(Cl)c2N2CCOCC2)c(Br)c1 1338286703 DVPQPAJFLCFPIE-UHFFFAOYSA-N 426.698 4.459 5 20 IIBD C[C@@H](OC(=O)CCNc1ccccc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 1339839920 APVDEGPTOQVEAQ-CQSZACIVSA-N 440.481 4.091 5 20 IIBD COc1ccc(NC(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)c([N+](=O)[O-])c1 1517708014 DPEARWJMAKSTFJ-UHFFFAOYSA-N 444.451 4.173 5 20 IIBD COc1ccsc1C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1 1789932765 BQEIYRWMBZBJCI-UHFFFAOYSA-N 440.481 4.055 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2cccc([N+](=O)[O-])c2)CCC1)c1ccsc1 1800040145 JYZVVOQQRITEJF-REPLKXPHSA-N 439.537 4.030 5 20 IIBD CCCCC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])c(OC)c1)C2 1801714675 KDQHWMMXFIOJKY-RSPOEFSDSA-N 445.560 4.001 5 20 IIBD CC/C=C(\C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(F)ccc([N+](=O)[O-])c2C)n[nH]1 1821285280 AIUDNIXIAGCXAG-JQTSXJCQSA-N 443.479 4.428 5 20 IIBD Cc1cc(C)c(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccccc3[N+](=O)[O-])C2)c(C)c1 1847061299 LCMGHBUUUMUCIO-MDZDMXLPSA-N 433.508 4.050 5 20 IIBD CCCCn1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nnc1[C@H](CC)N(C)C 3551072 XVHVYHCBWHLRFK-KRWDZBQOSA-N 435.550 4.158 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2ccc(Br)cc2Cl)ccc1[N+](=O)[O-] 10789756 SBFUBGYMORFODT-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD O=C(COC(=O)CCc1ncc(-c2ccccc2)o1)Nc1ccc(Cl)c([N+](=O)[O-])c1 11942400 VPVDTTJGLUTMSC-UHFFFAOYSA-N 429.816 4.018 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])N(Cc1cccs1)c1ccc2c(c1)OCCO2 20823318 XDMSNQQUCHIGGW-UHFFFAOYSA-N 426.450 4.040 5 20 IIBD C[C@@H]1C[C@@H](C)CN(C(=O)COc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)C1 28609936 UVGZWGBTSIILFI-HZPDHXFCSA-N 436.464 4.252 5 20 IIBD O=[N+]([O-])c1cc2c(c(CSc3nc(-c4ccccc4Br)n[nH]3)c1)OCOC2 28806568 YNUSMXLRWGGTMO-UHFFFAOYSA-N 449.286 4.301 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)CC(=O)Nc2ccccc2)cc1 31289451 PIXONQSRICRKMB-UHFFFAOYSA-N 435.436 4.106 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)c1 60397829 FLDLDUIUUJXIBG-UHFFFAOYSA-N 439.512 4.491 5 20 IIBD CCN(CC)CCN(C(=O)c1ccc([N+](=O)[O-])s1)c1cccc(Br)c1 63306783 HVSDVAWNFOHVNI-UHFFFAOYSA-N 426.336 4.407 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cc(-c3ccoc3)nn2-c2ccccc2)cc([N+](=O)[O-])c1 65065607 UVPRRWYRRUXTCC-UHFFFAOYSA-N 446.419 4.470 5 20 IIBD CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)COc1ccc([N+](=O)[O-])cc1 69421458 FIVCTDSGSMTJCA-UHFFFAOYSA-N 430.848 4.116 5 20 IIBD COCCOc1ccccc1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 72038001 XQTHCAYEFJFNMK-LBPRGKRZSA-N 427.379 4.078 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCCN(CCCc3ccccc3)CC2)cc1SC 97548875 RZYIJXASNKNHQW-UHFFFAOYSA-N 443.569 4.106 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1ccccc1Oc1ccccc1 116548542 CPJXHEAPIFCZAE-UHFFFAOYSA-N 426.450 4.067 5 20 IIBD O=C(c1ccc(N[C@H]2CCCOc3cc(Cl)ccc32)c([N+](=O)[O-])c1)N1CCOCC1 302000831 IZERVXHVBRWPDV-KRWDZBQOSA-N 431.876 4.046 5 20 IIBD CCOc1cc(C(=O)N[C@H](C)Cc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])cc1OC 303563795 XRJNQQXMELWDJB-GFCCVEGCSA-N 426.391 4.382 5 20 IIBD Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 303664769 BXUNTZDGGYHDKL-LJQANCHMSA-N 427.526 4.355 5 20 IIBD O=C(NCc1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1I 410306440 VUIZUOIZEQOLLL-UHFFFAOYSA-N 432.217 4.283 5 20 IIBD O=C(O)[C@H](NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccsc1 426816479 KULUUGSJPZRQKO-OAQYLSRUSA-N 434.477 4.425 5 20 IIBD CS(=O)(=O)c1ccc(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1Cl 428536409 JAEOXLDDJCFVQB-UHFFFAOYSA-N 437.930 4.065 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCCO1)c1n[nH]c2ccc([N+](=O)[O-])cc12 428881304 KXHCXHNNJDQKLF-CQSZACIVSA-N 430.848 4.325 5 20 IIBD O=C(Nc1ccnn1Cc1ccc(C(F)(F)F)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 429524369 ZUJJASMIPPPLTB-UHFFFAOYSA-N 445.401 4.449 5 20 IIBD CC(C)(NC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])cc1 431869620 KLCGQEYZSUMUIV-UHFFFAOYSA-N 430.936 4.447 5 20 IIBD C[C@@H]1CN(Cc2ccccc2NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@@H](C)O1 437296673 YIOOFXJDGFQHDI-ZIAGYGMSSA-N 437.418 4.475 5 20 IIBD O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437978147 RJQANLZPITXFGN-UHFFFAOYSA-N 441.875 4.215 5 20 IIBD C[C@H]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(C(F)(F)F)cc1 438171893 FOWHVRIYKKYTOQ-VBKZILBWSA-N 449.429 4.343 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](Oc2ccccc2Cl)C1 443648282 FJXYRFDYEFKPEK-INIZCTEOSA-N 433.892 4.129 5 20 IIBD CCOC(=O)c1sc(N(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C2CC2)nc1C 443898141 PRCPBLZDQMRAFU-UHFFFAOYSA-N 443.403 4.364 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)NCC1(c2ccc(F)cc2F)CCCC1 446893481 GJDNAUSPJQVKHO-UHFFFAOYSA-N 429.427 4.061 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(Nc3cccc(Br)c3)CC2)c1 447693527 MTYIXEKVBCKORJ-UHFFFAOYSA-N 434.290 4.083 5 20 IIBD CS(=O)(=O)c1cccc([C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2)c1 464380754 YRRYIEUZIOUKBZ-HXUWFJFHSA-N 444.896 4.171 5 20 IIBD CSc1nccn1-c1ccc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 464662946 NKOVIJVVXVLTEJ-UHFFFAOYSA-N 438.509 4.186 5 20 IIBD Cc1nc2sccn2c1CN(C)C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 464810938 SCIDZEKKZRQXKH-UHFFFAOYSA-N 427.530 4.121 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 465696134 SFWYUNWXIRRHDK-OAQYLSRUSA-N 445.479 4.002 5 20 IIBD C[C@@H](NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])[C@@H](C)N1CCOCC1 467514674 XPTQMCWLYUGMSJ-HUUCEWRRSA-N 449.960 4.238 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCCc2cccc(C)n2)cc1[N+](=O)[O-] 467923953 DOSVBYPYIJUULX-UHFFFAOYSA-N 435.505 4.224 5 20 IIBD Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])n2C)cc1Oc1ncccc1Br 468602947 QXOFATJEWYHQIT-UHFFFAOYSA-N 431.246 4.444 5 20 IIBD COc1cc(C(=O)Nc2cc(Br)ccc2NC(C)C)cc([N+](=O)[O-])c1OC 470100300 BSACFEKNXWVQEA-UHFFFAOYSA-N 438.278 4.447 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cc(Cl)ccc2O[C@H](C)COC)cc([N+](=O)[O-])c1 470384612 WMMWGOQGXVDURF-GFCCVEGCSA-N 436.848 4.091 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nc(-c2ccc(NC(C)=O)cc2F)cs1 470745164 RJIZBFQRTXLKJL-UHFFFAOYSA-N 444.444 4.467 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(N[C@H]2CCCO[C@@H]2c2ccc(C)cc2)c([N+](=O)[O-])c1 470880559 RAXCJWOSJDGIDB-RBBKRZOGSA-N 447.557 4.266 5 20 IIBD COCCCC[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 471339017 ZDARJMYTWHIYRT-NRFANRHFSA-N 425.529 4.485 5 20 IIBD Cc1c(NC(=O)CCN(CC(=O)Nc2ccc(F)cc2)C(C)(C)C)cccc1[N+](=O)[O-] 475344254 UQBROWYMWBAAQE-UHFFFAOYSA-N 430.480 4.110 5 20 IIBD O=[N+]([O-])c1ccc(OCCOc2c(Br)cccc2Br)cc1CO 475890801 CYBXNFDDSJUMDX-UHFFFAOYSA-N 447.079 4.070 5 20 IIBD COc1ccc(-c2csc(CNC(=O)NCc3ccc(OC)c([N+](=O)[O-])c3)c2)cc1 475914646 ITIVSRNGNVUFMH-UHFFFAOYSA-N 427.482 4.340 5 20 IIBD CC[C@@H](C)Oc1ccc(C(=O)N2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)cc1 478075617 LYGZAHFVURRIAK-MRXNPFEDSA-N 437.500 4.001 5 20 IIBD COc1ccccc1-c1csc(C2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)n1 478156171 YJRFJMGGFABFJN-UHFFFAOYSA-N 438.509 4.210 5 20 IIBD C[C@@H](Nc1ccc2oc(N(C)C)nc2c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 479892386 SQUFATWYZLDRLG-SNVBAGLBSA-N 437.378 4.260 5 20 IIBD CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)n2)cc1 481167068 SJRSLSFWLGUTPK-UHFFFAOYSA-N 448.464 4.115 5 20 IIBD CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 481948143 ZALOMYBBQHVNHE-GOSISDBHSA-N 438.509 4.184 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(Br)s2)cc1SC 481975088 QMBMKFBLHMYFEO-UHFFFAOYSA-N 431.333 4.422 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)cc1SC 483693349 AYFHFBJMXDABJY-UHFFFAOYSA-N 429.498 4.122 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CCO[C@H](COCC3CC3)C2)cc1 485724060 XRNZGXOTHXPLEG-DEOSSOPVSA-N 448.523 4.075 5 20 IIBD O=C(Nc1cc(N2CCCC2=O)ccc1Cl)c1cc([N+](=O)[O-])ccc1OC(F)F 487648471 XTMPQLOEJIAXKM-UHFFFAOYSA-N 425.775 4.229 5 20 IIBD Cc1ccc(-c2noc([C@H](C)NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)n2)cc1F 488154137 XZCYNZSQSVIFTF-JTQLQIEISA-N 436.346 4.185 5 20 IIBD COc1cccc([C@H](CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)N2CCCC2)c1 489912194 DXYNICOIXWKYEX-VGSWGCGISA-N 426.517 4.109 5 20 IIBD COc1cc(CN2CC=C(c3c[nH]c4ncccc34)CC2)c([N+](=O)[O-])cc1OCC(F)F 491116154 ZYVKOILCWWRBKO-UHFFFAOYSA-N 444.438 4.413 5 20 IIBD O=C(NCc1ccnc(N2CCCC2)c1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 493146822 AQGNFLBBVMEYCF-UHFFFAOYSA-N 432.480 4.099 5 20 IIBD CCc1ccc([C@@H](NCCc2ccccc2[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 493277077 ONXSYWXDCZXFRP-XMMPIXPASA-N 438.549 4.482 5 20 IIBD CN1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)[C@H]1c1ccc(Cl)c(F)c1 498391890 XMIMJPSVFCMGTL-SPLOXXLWSA-N 442.878 4.358 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 498838140 OICCSVFXSICQJW-LBPRGKRZSA-N 439.438 4.406 5 20 IIBD CCN([C@@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] 500935989 UXFJRKNWTSZFHO-QHCPKHFHSA-N 439.537 4.282 5 20 IIBD CC(=O)Nc1ccc(CCNC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc1 504798420 XIVOHFFXLARBHV-IRXDYDNUSA-N 438.528 4.008 5 20 IIBD CCOc1cc(NC(=O)NC[C@H](C)N2CCc3sccc3C2)c([N+](=O)[O-])cc1OCC 504983150 NQZMOFWAXLMEED-AWEZNQCLSA-N 448.545 4.022 5 20 IIBD O=C(NCc1cc(Br)ccc1F)c1ccc(Br)cc1[N+](=O)[O-] 506157787 YKRVZPZYHISJSP-UHFFFAOYSA-N 432.043 4.189 5 20 IIBD Cc1ccc(NC(=O)N[C@@H](C)c2cc3c(cc2Br)OCCO3)cc1[N+](=O)[O-] 511276717 JBRPMVMIUGGURK-NSHDSACASA-N 436.262 4.320 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2cccn(Cc3ccccc3)c2=O)cc1[N+](=O)[O-] 511351698 CSZDHHZGTVPBHI-UHFFFAOYSA-N 442.269 4.128 5 20 IIBD C[C@H](N[C@H](C)c1c(F)cncc1F)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 513246871 FFWYAJDVHBMADM-MNOVXSKESA-N 433.440 4.069 5 20 IIBD COc1cc(CCNC(=O)C2(c3cccc(C)c3)CCCCC2)c([N+](=O)[O-])cc1OC 515746677 VUFILYSFOHHCAI-UHFFFAOYSA-N 426.513 4.481 5 20 IIBD COc1ccc(CNC(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] 517499003 NWONZOROZQLGEM-UHFFFAOYSA-N 431.876 4.061 5 20 IIBD COc1ccc(CNC(=O)N(C)Cc2c(C)nn(-c3ccccc3C)c2C)cc1[N+](=O)[O-] 517676671 PAPAHPVTSAASPX-UHFFFAOYSA-N 437.500 4.056 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1OCCOC 520769835 OBMQQCFPPYQHPO-UHFFFAOYSA-N 448.419 4.002 5 20 IIBD O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1csc(-c2c(F)cccc2F)n1 521857992 NIKXMJIKTBVMOO-UHFFFAOYSA-N 427.392 4.435 5 20 IIBD CCC[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 524644252 CUTBJVIULSDDBN-FYYLOGMGSA-N 437.540 4.426 5 20 IIBD CS(=O)(=O)[C@H]1CCC[C@@H](NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 524884690 QHOSDLDAENLMJV-CVEARBPZSA-N 438.933 4.486 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2ccc(F)cc2)C1 526040718 RFDVRMRYZYINDG-OAHLLOKOSA-N 432.473 4.019 5 20 IIBD C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 527261888 YPWBPFCHKNKNJE-VIFPVBQESA-N 436.795 4.068 5 20 IIBD COC(=O)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)c2ccccc21 530501830 TWIYUCQJPRDVMH-HXUWFJFHSA-N 448.431 4.313 5 20 IIBD O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)N1CCc2c(cccc2[N+](=O)[O-])C1 534568232 UQQLUDOLBNWCJQ-UHFFFAOYSA-N 433.255 4.073 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2[nH]c(-c3cccs3)nc2c1 535387841 QALFVLKIBBUZOM-UHFFFAOYSA-N 430.467 4.009 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCCCc1ccc(Br)cc1F 536185062 KDXFIMOLKPXUPT-UHFFFAOYSA-N 434.265 4.269 5 20 IIBD CC(=O)NC[C@@H]1CN(Cc2ccc(Oc3cc(C)ccc3C(C)C)c([N+](=O)[O-])c2)CCO1 536680852 CPIMQHJOXVUYRX-HXUWFJFHSA-N 441.528 4.156 5 20 IIBD C[C@@H](NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc(OCC2CC2)c(F)c1 537123894 NHBJTEZRGTUJCL-CQSZACIVSA-N 429.448 4.172 5 20 IIBD O=C(NCCNc1ncnc2ccc([N+](=O)[O-])cc12)[C@H]1C[C@@H]1c1ccc2ccccc2c1 537730657 LPSDWSDAXDNKGI-UXHICEINSA-N 427.464 4.023 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@H](Oc4ccc(C(F)(F)F)cn4)C3)o2)c1 538959994 XEGOIRMLECDLAX-KRWDZBQOSA-N 448.401 4.359 5 20 IIBD CN(C(=O)[C@H]1CCCN1C(=O)CC(C)(C)C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 539354369 QVLCAJJMCPIZDT-QGZVFWFLSA-N 430.530 4.108 5 20 IIBD Cc1ccc([C@H](C)NC(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)cc1[N+](=O)[O-] 539441015 RPSYGLZJZXQWOS-NSHDSACASA-N 427.429 4.127 5 20 IIBD C[C@H]1C[C@H](CCNC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCO1 542274538 AEOAIXOTJUUQEX-LSDHHAIUSA-N 443.466 4.151 5 20 IIBD Cc1cc(C)n(-c2ccc(CNC(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)cn2)n1 543444707 RMSZMFAROWQYTA-UHFFFAOYSA-N 434.378 4.133 5 20 IIBD COc1ccc([C@@H](C)NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1Br 544428689 PBXPGPNGLUEPBE-WDEREUQCSA-N 425.254 4.486 5 20 IIBD NC(=O)Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)c1 544521640 CWDMWQAUMHXWKM-UHFFFAOYSA-N 428.514 4.298 5 20 IIBD C[C@@H](c1nc(-c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)no1)n1nnnc1C(C)(C)C 545782066 VEBYYTPZRMUSFJ-ZDUSSCGKSA-N 435.444 4.330 5 20 IIBD O=c1cnc2ccccc2n1Cc1nc(-c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)no1 547201513 VOEPQKAIRHNVCF-UHFFFAOYSA-N 441.403 4.195 5 20 IIBD O=C(Nc1ccc2c(c1)N(CC(F)F)CCS2)c1ccn(-c2ccccc2[N+](=O)[O-])n1 551350966 HVYJHBHAIWUEBZ-UHFFFAOYSA-N 445.451 4.210 5 20 IIBD CCC[C@H](CCc1ccccc1)NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 551492850 GXEFFCNSBSMICU-MRXNPFEDSA-N 448.317 4.214 5 20 IIBD Cc1ccc(-n2cnnc2SCC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1Cl 557971230 UBGRGLYXBWGCHF-UHFFFAOYSA-N 445.932 4.281 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1 559547127 BFXQIPBUCHYSTM-LBPRGKRZSA-N 445.273 4.131 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(N(C(C)=O)[C@H]3C[C@@H]3C)cc2)cc1SC 561374930 PSQZJPZXAWRDRY-SJCJKPOMSA-N 429.498 4.339 5 20 IIBD O=C(Cc1noc(-c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)n1)NC1CC1 565388987 KKQRUPLPJLEWQZ-UHFFFAOYSA-N 430.873 4.271 5 20 IIBD COC(=O)c1occc1CN(C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)[C@H](C)c1ccccn1 565415615 JYIDPUZUCODHCJ-HZPDHXFCSA-N 437.452 4.263 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccc(Oc3cccnc3)cc2)c([N+](=O)[O-])c1 567080373 KHGYRCBBASHXCA-CVEARBPZSA-N 436.468 4.469 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)C1(CO)CCC1 568918517 FVKHZISLJJNXNF-IIBYNOLFSA-N 426.517 4.080 5 20 IIBD O=C(c1sc2ccccc2c1Br)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 573851208 MKSXTDDKMKOYLD-NSHDSACASA-N 447.314 4.294 5 20 IIBD CN(C(=O)c1csc(-c2cc(Br)cs2)n1)c1ccc([N+](=O)[O-])nc1 583522914 DFBRXJBLUDMYQY-UHFFFAOYSA-N 425.289 4.214 5 20 IIBD COc1cccnc1CC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 588372408 ZOAMHFYIVUWTDB-UHFFFAOYSA-N 445.834 4.442 5 20 IIBD COC(=O)c1cc(Br)c(OC)cc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 589069515 BUHTYIBRMRPLKI-UHFFFAOYSA-N 443.637 4.058 5 20 IIBD COC[C@H](NCc1cc(I)cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 589266773 JMBLOMXFWYUZNA-INIZCTEOSA-N 446.672 4.330 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)Nc1nc2c(s1)CCCC2)c1ccccc1[N+](=O)[O-] 603646859 PKMPLRWVPHRONF-HNNXBMFYSA-N 432.502 4.135 5 20 IIBD CCOc1cc(C(=O)N(Cc2cccnc2)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC 603991886 FCTMNGLSTDGTOR-UHFFFAOYSA-N 425.416 4.383 5 20 IIBD CCc1ccc([C@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C(C)C)cc1 604134684 XVNOWMGGJNNJOL-GOSISDBHSA-N 435.427 4.211 5 20 IIBD CCOc1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c2ccccc2)cc1 608937090 BGYBOAPJZYAPGE-QFIPXVFZSA-N 434.448 4.284 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1 609076318 YEIDINOZRCQMRU-UHFFFAOYSA-N 436.917 4.317 5 20 IIBD Cc1noc(CNC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 609166154 WUTBKNIFGUTWKZ-UHFFFAOYSA-N 438.387 4.386 5 20 IIBD Cc1ccc([C@@H]2COCCN2C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 609728991 HKFYACSDHBZFKL-AWEZNQCLSA-N 430.404 4.207 5 20 IIBD COc1cc(C(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)cc([N+](=O)[O-])c1OC 610176554 UGNNWVZSAKVNFX-HKBQPEDESA-N 446.525 4.446 5 20 IIBD COc1cc(C(=O)NCc2ccc(CN3C[C@@H](C)C[C@@H](C)C3)cc2)cc([N+](=O)[O-])c1OC 610196086 LCHYEMBERDTZSS-CALCHBBNSA-N 441.528 4.020 5 20 IIBD O=C(NC1CCN(CC(F)(F)F)CC1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611202371 GERVMVVWVGVQNG-UHFFFAOYSA-N 431.480 4.386 5 20 IIBD Cc1csc(Sc2ccc(-c3nc(-c4cccc(C(N)=O)c4)no3)cc2[N+](=O)[O-])n1 612900904 YRDWRTOVYPVBIT-UHFFFAOYSA-N 439.478 4.327 5 20 IIBD Cc1ccc(Cn2cccc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)c2=O)cc1 677169900 XJHLQOCHZLOQGH-UHFFFAOYSA-N 449.510 4.312 5 20 IIBD COc1ccc(NC(=O)c2ccccc2NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 727662179 CYVYDUZAHYPHKP-UHFFFAOYSA-N 435.436 4.046 5 20 IIBD C[C@@H](c1ccccc1F)N(C)C(=O)c1ccc(I)c([N+](=O)[O-])c1 730476279 YBNHNZGZCVVHIH-JTQLQIEISA-N 428.201 4.172 5 20 IIBD C[C@H](OC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)no1)C(=O)Nc1cccc([N+](=O)[O-])c1 730858849 WTFVYSXHSSZERY-NSHDSACASA-N 449.341 4.453 5 20 IIBD O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 735999066 ANMHOBDCCJKONO-UHFFFAOYSA-N 443.809 4.105 5 20 IIBD COC(C)(C)C[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 742099151 FTHQSDACNANZHA-ZDUSSCGKSA-N 433.892 4.434 5 20 IIBD O=[N+]([O-])c1cn(CN2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)nc1-c1ccncc1 742148648 YQQVOEUELAZKEX-GOSISDBHSA-N 434.283 4.191 5 20 IIBD CCN(CC1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1)C(=O)OC(C)(C)C 744716597 ZQZMVVLVPDRGJW-UHFFFAOYSA-N 430.505 4.185 5 20 IIBD COc1cc(C2(C(=O)O[C@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)CCC2)ccc1C 744906708 HDUOSPMBIOYICB-CQSZACIVSA-N 430.432 4.043 5 20 IIBD C/C(=C\C(=O)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccc(C(F)(F)F)c1 745487913 STNCAHMAERHCKF-UKTHLTGXSA-N 434.370 4.149 5 20 IIBD COc1ccc([C@@H](C)Nc2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])cc1 746079663 SYEDSWIZHVDZQH-SECBINFHSA-N 426.223 4.456 5 20 IIBD Cc1c(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748625938 ZQVOZARHCYIGGR-UHFFFAOYSA-N 426.429 4.045 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2cc(Cl)ccc2N2CCSCC2)cc1[N+](=O)[O-] 748662387 CFNUNTGSVVGYJB-UHFFFAOYSA-N 436.877 4.270 5 20 IIBD Cc1ccc([C@@H](NC(=O)COC(=O)c2ccc(Br)cc2[N+](=O)[O-])C2CC2)cc1 750964912 NPTBDTAAAFTFBC-LJQANCHMSA-N 447.285 4.090 5 20 IIBD C[C@H](C(=O)N1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1F 754373191 FOCNMCHSJWYZHZ-MGPUTAFESA-N 449.523 4.476 5 20 IIBD C[C@H](C(=O)OCC(=O)Nc1ccc(OC(F)F)c(Cl)c1)c1ccc([N+](=O)[O-])cc1F 755066901 PKOOPCJCFVEMOC-VIFPVBQESA-N 446.765 4.274 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 757197120 HGXIEJDSBZIXTL-UHFFFAOYSA-N 437.905 4.286 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 758665191 ZJECVRKLKPQIBZ-UHFFFAOYSA-N 442.255 4.143 5 20 IIBD Cc1nnc([C@@H](C)N[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)s1 759887596 XDNMGEDVXCAYQH-DIFFPNOSSA-N 431.905 4.439 5 20 IIBD CC(C)[C@H]1CCCN1c1ccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1F 760421874 FPMIKIVHGNATBE-GOSISDBHSA-N 438.463 4.192 5 20 IIBD COC(=O)c1sc2ccccc2c1CNC(=O)c1cccc([N+](=O)[O-])c1Br 760816273 VCZIJNUFMFLQKI-UHFFFAOYSA-N 449.282 4.289 5 20 IIBD C[C@@H](Cc1ccc(F)c(Br)c1)Nc1ccc([N+](=O)[O-])cc1N1CCOC1=O 765539945 LLSICYKPEDPSAP-NSHDSACASA-N 438.253 4.496 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 767874979 GSPCPSBEHGMFMO-HNNXBMFYSA-N 435.402 4.401 5 20 IIBD COc1ccc(N(Cc2ccco2)S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cc1F 768279350 LRRWCSNQNNKDGE-UHFFFAOYSA-N 438.408 4.179 5 20 IIBD O=C(COc1ccccc1NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1cccnc1 768279739 QOFMUPFMJRSCSY-UHFFFAOYSA-N 447.495 4.088 5 20 IIBD CCCN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C1CCN(C(=O)OC(C)(C)C)CC1 768716247 PVHVXMJLEYNSSM-UHFFFAOYSA-N 425.913 4.500 5 20 IIBD O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)c1cc(Br)cc([N+](=O)[O-])c1 771008916 OIWPYCCOTKIMGZ-AWEZNQCLSA-N 434.073 4.128 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN(Cn2cnc(-c4ccc([N+](=O)[O-])cc4)n2)C3)cs1 771619906 BOGZXQWSSYZTEG-UHFFFAOYSA-N 438.538 4.363 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 775088249 BSJJYTTUNAZNLB-UHFFFAOYSA-N 444.425 4.411 5 20 IIBD Cc1c(C(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] 776218530 RYLNJGZGHXYGPT-IBGZPJMESA-N 438.352 4.061 5 20 IIBD O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 776588351 RXCYSWJYPFQHHQ-RBUKOAKNSA-N 438.311 4.428 5 20 IIBD O=C(CCc1ncc(-c2ccccc2F)o1)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 778807777 ANMAMGRTONETQC-HNNXBMFYSA-N 443.406 4.283 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 780483831 SUMPEBYTKWREFH-GOSISDBHSA-N 434.537 4.006 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCc1ccc(CN2CCCCCC2)cc1 781619563 ROTDGUSSAPUDET-UHFFFAOYSA-N 440.500 4.128 5 20 IIBD CC(C)(Cc1ccc(Br)cc1)NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F 782513862 ZHKVEQYHRAWGCC-UHFFFAOYSA-N 438.297 4.436 5 20 IIBD Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)Oc1ccccc1OC(F)F 790017610 JHCWPEFLBMGCJP-UHFFFAOYSA-N 438.202 4.035 5 20 IIBD Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1cc([N+](=O)[O-])cc(Br)c1C 790168756 HOPVBVDXJPRLRN-YLJYHZDGSA-N 444.329 4.422 5 20 IIBD COc1cc(NCc2nc(-c3cccc(Br)c3)no2)c([N+](=O)[O-])cc1OC 790297711 OHZIKIBUIOUOLC-UHFFFAOYSA-N 435.234 4.037 5 20 IIBD CS(=O)(=O)c1ccc(COC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cc1 792089056 RISNIGXBOQDEPV-UHFFFAOYSA-N 435.523 4.390 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(OC(F)F)c(C(F)(F)F)c1 795049028 KTCFZTAHVMRQDT-UHFFFAOYSA-N 435.305 4.274 5 20 IIBD O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)Nc1cc(F)c(F)cc1Cl 795327227 VTEOSRUJVSAYCE-UHFFFAOYSA-N 445.600 4.229 5 20 IIBD COc1c(C(=O)O[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)cccc1[N+](=O)[O-] 796310235 STGCFLHWNQPAGG-MRXNPFEDSA-N 434.448 4.055 5 20 IIBD Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1c1ccsc1 799762682 JGFUTRIDYUKCQL-ZDUSSCGKSA-N 431.333 4.253 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 800150534 SVSXPJRZGLDOMR-UHFFFAOYSA-N 447.422 4.133 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 801091009 RESRQZJVUIIHCH-HSZRJFAPSA-N 430.460 4.364 5 20 IIBD CC(C)[C@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccc(F)cc1 801954479 DRYTVUCJQULABZ-QFIPXVFZSA-N 443.475 4.004 5 20 IIBD CC[C@@H]1[C@@H](c2nc(CCNc3ccccc3[N+](=O)[O-])no2)CCN1C(=O)OC(C)(C)C 810289365 UYOXXUSQNHELKR-GOEBONIOSA-N 431.493 4.135 5 20 IIBD COc1ccccc1CN(OC)C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 812368518 VDWSYLPPNQIFAA-MRXNPFEDSA-N 436.468 4.375 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)cc1S(=O)(=O)C1CCCC1 817477829 QKUCDONGCRAHPI-UHFFFAOYSA-N 449.504 4.077 5 20 IIBD O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C/c1cccc(NC(=O)C(F)(F)F)c1 834688668 CYABWGMXSLRNOJ-NTUHNPAUSA-N 439.733 4.094 5 20 IIBD CC(C)[C@@H](OC(=O)CSc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc2ncccc12 877869490 DQZDGNWFKZDYHM-OAQYLSRUSA-N 439.493 4.442 5 20 IIBD C[C@H]1CN(C(=O)CNc2cc([N+](=O)[O-])ccc2Nc2cccc(C(F)(F)F)c2)CCO1 914786213 YCAOVPREKNIEBK-ZDUSSCGKSA-N 438.406 4.016 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3ccc(C(N)=O)cc3C)cc2[N+](=O)[O-])n1 915178997 FRSXIHOAGSVZGN-UHFFFAOYSA-N 428.495 4.171 5 20 IIBD COc1ccc(OC)c([C@@H](O)CNCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)c1 915224733 JDVOJVDWTWVPAC-QHCPKHFHSA-N 437.496 4.203 5 20 IIBD COCCNC(=O)/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1nc2ccccc2[nH]1 916155269 QYBGSCNZCAPDGL-JXAWBTAJSA-N 432.436 4.034 5 20 IIBD COc1cc(C(=O)NCCc2ccc(N3CCCCC3)cc2)c([N+](=O)[O-])cc1OC(F)F 917166146 WAUXUWDCYQOYBX-UHFFFAOYSA-N 449.454 4.168 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)O[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c1 919111672 CRTFAGUHADMQLH-AWEZNQCLSA-N 429.404 4.474 5 20 IIBD CC(C)(C)N(Cc1cccc(F)c1)C(=O)COC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 919212489 BTKUHMUVKKXJNY-UHFFFAOYSA-N 428.416 4.464 5 20 IIBD CCOc1ccc(CCC(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)cc1 919982448 VODXVIGOICQTQJ-UHFFFAOYSA-N 438.484 4.413 5 20 IIBD CCOc1ccc(-c2noc(COC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 920777447 HFYATYDSDTXTSI-LBPRGKRZSA-N 447.831 4.208 5 20 IIBD CC(=O)Nc1ccc(NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)nc1 1116538603 UFPSSIMAMLZQFW-UHFFFAOYSA-N 428.452 4.413 5 20 IIBD CC[C@@]1(c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)CCN(C(=O)OC(C)(C)C)C1 1116594505 MTRPQPKTOPBUDC-JOCHJYFZSA-N 441.488 4.339 5 20 IIBD CN(C)CCNC(=O)c1cccc(CNC(=O)c2c3ccccc3cc3ccccc23)c1 1318867541 VBHAMELWBXVYCE-UHFFFAOYSA-N 425.532 4.214 5 20 IIBD COc1ccc(-c2cc(Nc3sc(S(C)(=O)=O)cc3[N+](=O)[O-])ccc2OC)cc1 1342153387 AZAFBTQMNWJTAE-UHFFFAOYSA-N 434.495 4.488 5 20 IIBD O=C(NC[C@H]1CCCN(Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1)C(F)(F)F 1343552629 NADDSMKNUKQBFZ-GFCCVEGCSA-N 445.825 4.399 5 20 IIBD COc1ccc(NC(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)c([N+](=O)[O-])c1 1345074689 MDMKPWDSSKCSJN-HNNXBMFYSA-N 428.493 4.181 5 20 IIBD Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)c1 1800040479 XSNRBWKDFLXTJV-KOUNCHBCSA-N 447.535 4.277 5 20 IIBD Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(F)c2)C3)cc(Cl)cc1[N+](=O)[O-] 1800711333 JKIHRBLTWZWYBK-BCDXTJNWSA-N 445.878 4.261 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC2(CCCN(C(=O)[C@@H]3C[C@@H]3F)C2)CC1 1806459701 BIPQDXKBDTZETI-SJORKVTESA-N 445.516 4.012 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC2(CCCN(C(=O)C3CCCCC3)C2)CC1 1808976693 FNCNKCOVOUFWHM-VAWYXSNFSA-N 439.556 4.420 5 20 IIBD Cc1c(C(=O)N2CCC3(CCCN(C(=O)C(C)(F)F)C3)CC2)cc(Cl)cc1[N+](=O)[O-] 1809599016 WMSPIFXELYUZRU-UHFFFAOYSA-N 443.878 4.057 5 20 IIBD C/C=C(/C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])[nH]n1 1821895429 ZHODJNSGUMCDIP-GGNHSKRRSA-N 445.907 4.172 5 20 IIBD CCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)[nH]n1 1821939299 GTXSVBHKOXSVFH-KRWDZBQOSA-N 431.468 4.199 5 20 IIBD COc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(C)CCC3)CC2)ccc1[N+](=O)[O-] 1832694590 MIFWBWAYNHBJNA-LJQANCHMSA-N 443.544 4.027 5 20 IIBD C[C@H]1CCC[C@@H]1C(=O)N1CCCC12CN(C(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 1843968661 GNTRHZHNZCPNPC-YOEHRIQHSA-N 427.526 4.063 5 20 IIBD Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 10863845 IQYKMOSJFVPWKQ-UHFFFAOYSA-N 436.395 4.069 5 20 IIBD CCOc1ccc(CCNC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1OCC 14511002 NDSIRKPNSBJYJQ-UHFFFAOYSA-N 437.290 4.127 5 20 IIBD COC(=O)CCc1c(C)nn(-c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)c1C 14798635 DAAGTUQWBPOGDZ-UHFFFAOYSA-N 436.468 4.064 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 15592662 OWOYJVHUCLCWHT-UHFFFAOYSA-N 443.456 4.201 5 20 IIBD C[C@H](Sc1nnc(-c2ccncc2)n1C1CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 16674379 FCDQUMOJEOBGIK-LBPRGKRZSA-N 435.469 4.487 5 20 IIBD COc1ccc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1Cc1ccccc1 16729704 MNDNLLDKFNLOFU-UHFFFAOYSA-N 428.466 4.004 5 20 IIBD CSc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2Br)cc1[N+](=O)[O-] 22160947 ZKVLWVMPUFFKHT-JTQLQIEISA-N 439.287 4.263 5 20 IIBD CCC(CC)NC(=O)[C@@H](C)OC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 22669990 ADQAOEAJOYAWPW-CYBMUJFWSA-N 446.887 4.329 5 20 IIBD COC(=O)c1occc1COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 24954191 CAQHFKBRTNTMBO-UHFFFAOYSA-N 443.795 4.216 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc(Cl)c(C(N)=O)c3)cc2[N+](=O)[O-])C1 29017777 PEQGCDSBVUMSPI-STQMWFEESA-N 430.892 4.082 5 20 IIBD O=C(CN(Cc1ccccc1F)C(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1F 58493822 OWYKJUXZMRMBNY-UHFFFAOYSA-N 425.391 4.154 5 20 IIBD CCOc1ccc(NC(=O)CNc2cc(Cl)ccc2OC[C@H]2CCCO2)c([N+](=O)[O-])c1 63470411 JZNHZYQHGMTNMZ-MRXNPFEDSA-N 449.891 4.255 5 20 IIBD O=C(Nc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1I 72068299 DZNIUIUKEHLAIL-UHFFFAOYSA-N 447.026 4.214 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccc(NC(C)=O)cc2F)cs1 106935755 VHJCFLWFCWCLID-UHFFFAOYSA-N 429.433 4.110 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C(=O)Nc1ccccc1)c1ccccc1 109102020 WMXADQJOMMQJQS-HSZRJFAPSA-N 432.480 4.201 5 20 IIBD COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(F)F 215252760 NAKHOXIUBJCGLR-CXUHLZMHSA-N 436.392 4.441 5 20 IIBD COc1cc(CCNC(=O)[C@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])cc1OC 217474306 ULKHLBVZGPHLNZ-HOTGVXAUSA-N 438.402 4.093 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 301749635 OVDHJBORGGNBHD-OXQOHEQNSA-N 441.553 4.180 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(c2ccc3c(Cl)ccc(Cl)c3n2)CC1 302075635 WCJHRIMJGVJICF-UHFFFAOYSA-N 437.308 4.474 5 20 IIBD COc1ccc([C@@H](C)Nc2ccc(I)cc2[N+](=O)[O-])cc1OC 321511323 MWCUDHLLXTZSET-SNVBAGLBSA-N 428.226 4.390 5 20 IIBD C[C@H](Oc1ccc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1)c1ccccc1 409566821 DJURERZJDRDGHJ-PXNSSMCTSA-N 432.480 4.456 5 20 IIBD C[C@H](CC(=O)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1)c1c[nH]c2ccccc12 427457078 RUWKQXBPCPKSEG-MRXNPFEDSA-N 446.511 4.185 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)cc1[N+](=O)[O-] 428873973 ZLVZMYRQQBWJBI-GFCCVEGCSA-N 441.879 4.292 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CN1CCO[C@@H](c2ccc(F)c(Br)c2)C1 430208673 UXTGIUHGZLSADX-GOSISDBHSA-N 425.254 4.079 5 20 IIBD CN(C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CC1 430422920 DSDQQLZHXNFMFL-QGZVFWFLSA-N 430.936 4.417 5 20 IIBD CC(C)(NC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccc([N+](=O)[O-])cc1 430521184 DCEGOTDSOACAJM-UHFFFAOYSA-N 429.432 4.061 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3ccc(CSC)cc3)CC2)ccc1[N+](=O)[O-] 432075823 BLIWNEPBLVBGBS-UHFFFAOYSA-N 430.530 4.211 5 20 IIBD COC(=O)c1ccc(Sc2ccc(Cl)cn2)c(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c1 434563294 BMRMZKFLNANOAO-UHFFFAOYSA-N 432.845 4.161 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 435382476 ACTNNGDCWUTFFD-LBPRGKRZSA-N 429.420 4.245 5 20 IIBD CN(Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 436875125 WLQMSUKLLIHBKJ-UHFFFAOYSA-N 437.418 4.056 5 20 IIBD Cc1csc(-c2cccc(NC(=O)C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)c2)n1 437050397 LZECSJSPAZAWPE-UHFFFAOYSA-N 436.493 4.156 5 20 IIBD O=C(Nc1ccc(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1)c1ccco1 437928645 TUJQPVNHARTVAV-UHFFFAOYSA-N 434.452 4.314 5 20 IIBD CN(C(=O)c1ccc(COc2ccc(Br)cc2)o1)c1ccc([N+](=O)[O-])nc1 439285949 PYJHLCYZAUJAAX-UHFFFAOYSA-N 432.230 4.201 5 20 IIBD Cc1cc(=O)c(C(=O)Nc2ccc(CCC(F)(F)F)cc2)nn1-c1ccccc1[N+](=O)[O-] 439651566 RNKWEDUXKWGQDZ-UHFFFAOYSA-N 446.385 4.196 5 20 IIBD O=C(Nc1ccn(Cc2ccncc2)n1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 440723801 FQBDXHUTBNRRQT-UHFFFAOYSA-N 431.477 4.638 5 20 IIBD O=C(NC[C@@H](O)COc1ccc(F)cc1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 442627817 JUNHQHOSHHWGIZ-MRXNPFEDSA-N 442.468 4.055 5 20 IIBD C[C@H]1CN(Cc2ccccc2NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)O1 443851018 HLCWKDXGNPRFAN-KBPBESRZSA-N 437.418 4.475 5 20 IIBD C[C@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)[C@@H]1CCCN(C2CCC2)C1 444306611 WXZPCVWWAGJRQJ-LSDHHAIUSA-N 439.506 4.342 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCc1nc([C@H](c2ccc(Br)cc2)C(C)C)no1 445254682 ALODGIYIRGLMNQ-KRWDZBQOSA-N 434.294 4.276 5 20 IIBD COc1ccc(NC(=O)Cc2noc([C@H](C)c3ccc([N+](=O)[O-])cc3F)n2)cc1Cl 445380577 LNCCHCFWFUQGIX-SNVBAGLBSA-N 434.811 4.112 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 445748191 CEFYGCWGYHEFGN-SFHVURJKSA-N 449.301 4.099 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC(OCC2CCCC2)CC1 445953235 OOKRMPGYHVYSDA-UHFFFAOYSA-N 425.323 4.098 5 20 IIBD COc1cc2nc(C)sc2cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 446150135 UCYWYBYUJGXLCJ-UHFFFAOYSA-N 436.287 4.465 5 20 IIBD COc1ccc2c(c1)N(C(=O)c1ccc(N3CCC(C)CC3)c([N+](=O)[O-])c1)C[C@H](C)O2 460501425 FIFNKBVSPYHOKV-INIZCTEOSA-N 425.485 4.267 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(C)c(Oc3cc(C)ccn3)c2)cc1[N+](=O)[O-] 460832605 XVZSSTVDPNEOGA-UHFFFAOYSA-N 429.454 4.208 5 20 IIBD COc1cc(OC)cc(-c2cccc(NS(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)c1 461214877 ADBDYHFVTZOAQM-UHFFFAOYSA-N 449.872 4.128 5 20 IIBD Cc1ccccc1[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@@H](C)CO1 462413352 BCEDGABNJTXEBM-SJCJKPOMSA-N 445.324 4.361 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2ccc(OCc3ccccc3F)cc2)s1 463734329 GKMTUDQQPYGPRC-UHFFFAOYSA-N 436.486 4.390 5 20 IIBD COc1cc(OC)c2cc(CCCNC(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)[nH]c2c1 463960181 HUNPGCPQPJTYLK-UHFFFAOYSA-N 426.473 4.464 5 20 IIBD Cc1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C)c2cccc(S(C)(=O)=O)c2)cc1 464357282 CPPTVMRDNRSICA-QFIPXVFZSA-N 438.505 4.135 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1c(F)cccc1OC(F)F 465195563 MQBJDGSZCSLATR-UHFFFAOYSA-N 426.394 4.212 5 20 IIBD CCN(CC)[C@@H](CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccsc1 465528164 IVMOFCWCHMHDTR-NRFANRHFSA-N 446.573 4.292 5 20 IIBD O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 466408315 ZNAOGLQITGMYTR-UHFFFAOYSA-N 425.382 4.101 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN(C)Cc2nc(O)c3sccc3n2)cc1OC 467478190 NNIWBQYWQGKJNV-CYBMUJFWSA-N 446.529 4.371 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(OCc2ccccc2F)cc1 468752771 AGSZOIVZYWZXQD-IBGZPJMESA-N 441.463 4.184 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CCC(=Cc3ccc(F)c(F)c3)CC2)cc([N+](=O)[O-])c1 468957207 NCUBSXUOQCKPLP-UHFFFAOYSA-N 430.407 4.369 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(CN2CCc3ccccc32)cc1 469417075 YTQVHLBDRLHRGB-HXUWFJFHSA-N 448.527 4.029 5 20 IIBD CCC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1 471422264 OMUHVIXWRZUGJK-UHFFFAOYSA-N 445.888 4.373 5 20 IIBD COc1ccccc1[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)OC(C)C 472478991 UVYDZRMEOUGTRH-QFIPXVFZSA-N 427.501 4.418 5 20 IIBD CCOc1cc(C(=O)N2CCOc3ccc(C(F)(F)F)cc32)c([N+](=O)[O-])cc1OC 472910980 BXVNVMQDPPSMRR-UHFFFAOYSA-N 426.347 4.060 5 20 IIBD O=C(c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)N(CCO)CC(F)F 477444141 CMGAJHWSXFVAID-UHFFFAOYSA-N 439.465 4.055 5 20 IIBD COc1ccc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)c(OC2CCCC2)c1 477891843 ZDZDWCSKNZHILC-UHFFFAOYSA-N 428.441 4.338 5 20 IIBD Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 478373788 RRFHADXFEAKPNG-VLIAUNLRSA-N 434.500 4.480 5 20 IIBD C[C@@H]1CCCCN1CCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 478610644 WLTVFXJSZXUCOW-OAHLLOKOSA-N 438.366 4.474 5 20 IIBD CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 479324406 XYAWMPHDOGMVHB-INIZCTEOSA-N 448.545 4.114 5 20 IIBD CCc1ccc(C(=O)N2CCC(c3noc(-c4ccccc4OC)n3)CC2)cc1[N+](=O)[O-] 481176427 RPFQCMFVAPKBQL-UHFFFAOYSA-N 436.468 4.236 5 20 IIBD CC(C)(O)CCNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 482037656 DTPIEZUNDVIELL-DTQAZKPQSA-N 425.510 4.412 5 20 IIBD Cc1ccnc(N2CCN(C(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)CC2)c1 483177190 YYDZAVHIWHAQQF-UHFFFAOYSA-N 433.468 4.445 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCC[C@H]2c2ccc(OC)cc2OC)c(C)c([N+](=O)[O-])c1 486868326 NSSYBFODTSEGPW-SFHVURJKSA-N 443.456 4.076 5 20 IIBD Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(F)cc2Br)cc1[N+](=O)[O-] 488097407 UICQRRRRZJZQLF-RYUDHWBXSA-N 425.254 4.450 5 20 IIBD Cc1nnc(S[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1C(C)C 488260911 DOTYMOHYOBMZCH-LLVKDONJSA-N 432.531 4.318 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc1C 488407972 ODADYDLKBOOIEU-UHFFFAOYSA-N 438.918 4.108 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cccc(-n3ccnn3)c2)cc1 489185279 GPKOTHBUWGVMAA-UHFFFAOYSA-N 431.408 4.229 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C 490133840 VYAFIAKOKVOKCI-GUYCJALGSA-N 444.431 4.073 5 20 IIBD COc1ccc(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC(F)F 492354649 QGLZMURDZMZWHX-UHFFFAOYSA-N 449.332 4.066 5 20 IIBD CCOc1cc(CN2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)ccc1[N+](=O)[O-] 492564748 VWSLJRIFUDLZNU-UHFFFAOYSA-N 433.892 4.203 5 20 IIBD Cc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OCCC(C)C 493979042 WEBVMLZHROYRQG-QGZVFWFLSA-N 427.501 4.452 5 20 IIBD Cn1ccnc1-c1csc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)n1 494161214 GWQHVOKWEBOQHZ-UHFFFAOYSA-N 434.481 4.316 5 20 IIBD O=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 494164315 PVWNOJHQTFZBNN-LJQANCHMSA-N 429.448 4.488 5 20 IIBD O=C(Nc1nnc(-c2ccccn2)s1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 495097869 KOMWGORJOWFZLE-UHFFFAOYSA-N 433.449 4.340 5 20 IIBD O=C(Cn1cc(Cl)cn1)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 498390547 UQZZAOLORSKBMD-UHFFFAOYSA-N 439.230 4.346 5 20 IIBD CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)c1c(N)cccc1[N+](=O)[O-] 499588538 PKDLHABVWSDGJY-UHFFFAOYSA-N 433.493 4.363 5 20 IIBD O=C(N[C@@H](COc1ccccc1F)c1ccccc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 500713487 KVPKBBZQELRRML-FQEVSTJZSA-N 446.438 4.470 5 20 IIBD O=[N+]([O-])c1cc2c(c(C[S@@](=O)Cc3coc(-c4ccc(Cl)cc4)n3)c1)OCOC2 501475865 KDAUJUXKBYLCNC-GDLZYMKVSA-N 434.857 4.219 5 20 IIBD COc1cc(CN[C@]2(Cc3ccc(Cl)cc3)CCOC2)c([N+](=O)[O-])cc1OC(F)F 502593224 BQQREUXJGMGCAY-FQEVSTJZSA-N 442.846 4.350 5 20 IIBD Cc1cc(N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nn1CCCOc1ccc(F)cc1 504395183 QWMLJUHHJYOLDG-MRXNPFEDSA-N 441.463 4.147 5 20 IIBD CCCc1[nH]nc(C(=O)N[C@H](C)c2sc(-c3ccc(OC)cc3)nc2C)c1[N+](=O)[O-] 506026042 CRMNSCJTEZGETJ-LLVKDONJSA-N 429.502 4.202 5 20 IIBD Cc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)C2CC2)cc1 508814519 XJGQPSGVEMUQKN-QGZVFWFLSA-N 436.249 4.389 5 20 IIBD CC1CCN(c2ccc(CNC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)cn2)CC1 509279452 PADZFDQWWVCHBN-UHFFFAOYSA-N 425.533 4.346 5 20 IIBD O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 509292231 ZJNGDSIZDXKTIK-CWLKWCNXSA-N 437.462 4.335 5 20 IIBD CCS[C@H](C)c1noc(CN(C)C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)n1 510022762 GRDYCZHSZUKSCL-SNVBAGLBSA-N 443.323 4.135 5 20 IIBD O=C(NCCc1nc2ccccc2n1C(F)F)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 511385989 XIYFPXUDUZWNDV-UHFFFAOYSA-N 443.435 4.436 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1 513161827 UTWTWJUGBRXQGZ-UHFFFAOYSA-N 439.493 4.427 5 20 IIBD O=C(CCCc1ccccc1)N[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 513558246 KVZOXPPRJSJTKB-QGZVFWFLSA-N 444.919 4.384 5 20 IIBD Cc1cccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1C(=O)N1CCCC1 514578347 JLGOZKFFOMVFAT-UHFFFAOYSA-N 439.515 4.338 5 20 IIBD C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1cc2c(cc1Br)OCCO2 515935703 KBBCLHHESVUNBL-JTQLQIEISA-N 447.241 4.366 5 20 IIBD Cc1nc2ccccc2n1Cc1cc(NC(=O)CCn2cc([N+](=O)[O-])cn2)ccc1Cl 517668204 NPIHQTIZZXWIQF-UHFFFAOYSA-N 438.875 4.180 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 520092257 OHLMZFNINSTZFW-CYBMUJFWSA-N 426.281 4.193 5 20 IIBD COc1cc(C(=O)NCc2ccccc2CO)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 520122187 WSOZLAURXGENDI-UHFFFAOYSA-N 442.855 4.471 5 20 IIBD COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 520614335 FDJBCJPTGXZHHI-LJQANCHMSA-N 438.411 4.185 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2nc3cc(Cl)ccc3s2)ccc1[N+](=O)[O-] 522485342 DMJXBQJDVWBHMQ-MRXNPFEDSA-N 444.900 4.410 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2cccc(COC(C)C)c2)ccc1[N+](=O)[O-] 523253039 LNHCQWXXKIGBPP-NRFANRHFSA-N 425.485 4.072 5 20 IIBD C[S@@](=O)Cc1cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1Cl 523731892 GKTFQLUTCMKEPH-SSEXGKCCSA-N 438.936 4.325 5 20 IIBD CN(C)S(=O)(=O)c1ccc(Oc2ccc(C(=O)c3ccc(F)cc3)cc2)c([N+](=O)[O-])c1 532165134 KFEXVXPZPGJAAO-UHFFFAOYSA-N 444.440 4.008 5 20 IIBD Cc1cccc(NC(=O)Nc2cccc3c2N(CCn2cc([N+](=O)[O-])ccc2=O)CCC3)c1 535624195 MDTNOGMLNXOJOE-UHFFFAOYSA-N 447.495 4.162 5 20 IIBD O=[N+]([O-])c1cc(CN2CCN(Cc3ncc[nH]3)CC2)ccc1Oc1ccccc1Cl 537623603 KKXRHLCEHGGASS-UHFFFAOYSA-N 427.892 4.081 5 20 IIBD CCOC(=O)C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1cccc(Br)c1 541335664 CABACDDMFDWTEU-GOSISDBHSA-N 449.301 4.101 5 20 IIBD COc1ccc(NC(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1[N+](=O)[O-] 542029255 QWHQMWOAZXXKIY-CQSZACIVSA-N 441.419 4.204 5 20 IIBD COc1ccc(C(=O)C2CCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 542190295 IBNVITSFIDYPIK-UHFFFAOYSA-N 448.928 4.470 5 20 IIBD CCCN1Cc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)c2C1 542865160 VDHSFSPFRIONLL-UHFFFAOYSA-N 429.420 4.140 5 20 IIBD CN(c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 543484137 SCYMYQCVKUFCCD-WIYYLYMNSA-N 438.459 4.055 5 20 IIBD Cn1cc(-c2ccc(F)c(C(=O)N(Cc3ccccc3[N+](=O)[O-])CC(F)(F)F)c2)cn1 543861513 OCOYAYHUIUGOAB-UHFFFAOYSA-N 436.365 4.339 5 20 IIBD COc1ccc(C2(CNC(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)CCC2)cc1 544165619 IISJABDIWQLPLU-UHFFFAOYSA-N 448.523 4.317 5 20 IIBD COc1cc(CCNC(=O)Nc2sc(-c3ccccc3)nc2C)c([N+](=O)[O-])cc1OC 544273503 SAAUJQKTHMZVCB-UHFFFAOYSA-N 442.497 4.408 5 20 IIBD Cc1ccc(NC(=O)CS[C@@H](C)c2nc(CCNc3ccccc3[N+](=O)[O-])no2)cc1 544564035 ONWPVWINDPNJRI-HNNXBMFYSA-N 441.513 4.374 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 544574312 QVDKEFZJIFPKPW-OAQYLSRUSA-N 430.913 4.401 5 20 IIBD Cn1cnnc1Sc1ccc(-c2nc(-c3ccc4ncccc4c3)no2)cc1[N+](=O)[O-] 546347136 QLTOOLQWDKMRHN-UHFFFAOYSA-N 431.437 4.140 5 20 IIBD O=[N+]([O-])c1ccc2nc(O)cc(-c3nc(Cc4ccccc4Br)no3)c2c1 546995182 LPZDZNUDJCWTKD-UHFFFAOYSA-N 427.214 4.252 5 20 IIBD CC(C)(C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)c1ccc([N+](=O)[O-])cc1F 547240151 DRCMDJDJEJTLQL-UHFFFAOYSA-N 441.290 4.062 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2c(C(=O)OC)ccc(Br)c2C)c1 549243945 OJYBGSKVVAPIRV-UHFFFAOYSA-N 437.246 4.103 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC(n2cc(Br)cn2)CC1 550556287 AZZAQYKUAHNCET-UHFFFAOYSA-N 447.211 4.050 5 20 IIBD CC(=O)c1cc(NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)ccc1F 553216286 WFEYWBZUTGBUAV-UHFFFAOYSA-N 449.438 4.486 5 20 IIBD CC[C@H](Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1ccc(OC)c(OC)c1 557693914 MWTYWBYHWZBMCA-INIZCTEOSA-N 444.875 4.375 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCNC3(Cc4cccc(F)c4)CCOCC3)o2)c1 559333845 FEIZBJDVPDUIRK-UHFFFAOYSA-N 425.460 4.313 5 20 IIBD O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)c1cc([N+](=O)[O-])cc2c1OCCO2 559650557 XFNLFRWRTIRCHF-UHFFFAOYSA-N 449.250 4.170 5 20 IIBD CCN(CC)CC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c1 560669047 ZZSOGGXJWADCPH-UHFFFAOYSA-N 438.406 4.146 5 20 IIBD COC[C@H](Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1cccc(Cl)c1 564720258 YJINSJXLNCQIQI-KRWDZBQOSA-N 435.267 4.247 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc(OC)c(OC)c1C 570844524 YIDYXPWHTXIPES-CQSZACIVSA-N 434.514 4.150 5 20 IIBD CNC(=O)c1cc(Oc2ccc(NC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)cc2F)ccn1 570950324 ZMTBDODHIAIFPP-ZDUSSCGKSA-N 438.415 4.023 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cccc(CSC3CCOCC3)c2)c1 574122575 XGWIXEQQCJAYDI-UHFFFAOYSA-N 436.555 4.425 5 20 IIBD Cc1ccc(Sc2ccc(CNc3ccc(C(=O)NCCO)cc3)cc2[N+](=O)[O-])cc1 574288292 GBLIVYZXVKAVRB-UHFFFAOYSA-N 437.521 4.389 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)c1cc2ccccc2s1 581002794 PCGYLGOXELXFMY-SNVBAGLBSA-N 448.298 4.388 5 20 IIBD Cc1c(Cl)cccc1N1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 585753791 QKIJQSUCIORHPH-UHFFFAOYSA-N 427.892 4.319 5 20 IIBD Cc1cc(=O)c(C(=O)N(C)[C@H](C)c2cc3ccccc3o2)nn1-c1ccccc1[N+](=O)[O-] 603458695 BEJVBXULQGIWNR-OAHLLOKOSA-N 432.436 4.029 5 20 IIBD CCCN(C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)[C@H](C)c1ccccc1OC 603528591 VAGIINRWBJPUEH-MRXNPFEDSA-N 441.484 4.291 5 20 IIBD CS(=O)(=O)c1ccc(NCc2cccc(COCc3ccccc3)c2)c([N+](=O)[O-])c1 603856409 VLWCKLBQMMLAJZ-UHFFFAOYSA-N 426.494 4.327 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])N(C[C@H]1CCCO1)c1nc2ccccc2s1 603946677 UPFZEUIKEPJEJQ-OAHLLOKOSA-N 427.482 4.186 5 20 IIBD COc1cc(C(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)c([N+](=O)[O-])cc1OC 603991724 YUFZZTVZEVDLAG-UHFFFAOYSA-N 435.436 4.141 5 20 IIBD CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 604157478 SKXXPBISXPTRKP-UHFFFAOYSA-N 448.209 4.100 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc2ccc(OCC(F)(F)F)cc2s1 608928370 MHOYWUQULMIWQM-UHFFFAOYSA-N 447.416 4.255 5 20 IIBD O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)C1(c2ccc(Br)cc2)CC1 609202047 FQYDEFMEHVOEHD-UHFFFAOYSA-N 427.258 4.418 5 20 IIBD Cc1ccc(-c2csc(NC(=O)c3ccc(N4CCOCC4)c(F)c3)n2)cc1[N+](=O)[O-] 609297233 WORWVDGQZQSVSQ-UHFFFAOYSA-N 442.472 4.255 5 20 IIBD CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 609446087 BOWZAFYXYOWRFS-IBGZPJMESA-N 429.542 4.453 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccccc1CN1CCSCC1 609724214 CWBXZRZWVIKWAJ-UHFFFAOYSA-N 435.933 4.205 5 20 IIBD C[C@H](c1ccccc1Cl)N(C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 609761930 OUDJLDWTLCKVQX-GFCCVEGCSA-N 436.295 4.384 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)cc1[N+](=O)[O-] 610644094 YUILYYVWWIRNQX-GOSISDBHSA-N 446.507 4.285 5 20 IIBD COc1ccc(Cn2nccc2NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1 611072866 IIUIEQJWPGIGKE-UHFFFAOYSA-N 445.273 4.171 5 20 IIBD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCCNc2ncc(C(F)(F)F)cc2Cl)n1 618571620 ZTUMAOGMVDZLMC-ZIAGYGMSSA-N 432.834 4.044 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(Oc2ccc(C)c(C)c2)nc1 619466612 DPDWKCWQHPYEBS-UHFFFAOYSA-N 429.454 4.208 5 20 IIBD O=C(Nc1ccc(-c2nc[nH]n2)cc1F)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 647635823 PBBNHWOOFQJLGI-UHFFFAOYSA-N 435.365 4.136 5 20 IIBD Cc1c(Cl)cccc1NC(=O)CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 725720979 VQZFBNOMJPNHNJ-UHFFFAOYSA-N 444.919 4.306 5 20 IIBD Cc1[nH]c2ccccc2c1C1CCN(Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)CC1 725770910 MMOYXODXSMQHFL-UHFFFAOYSA-N 443.507 4.445 5 20 IIBD O=C(NCc1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 726301332 YEZYLQNMMNOBRT-UHFFFAOYSA-N 425.828 4.295 5 20 IIBD Cc1cc(C)cc(N(CC(=O)Nc2ccccc2)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 729657576 LFVNRYFQMIWTCX-UHFFFAOYSA-N 448.435 4.405 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 729665932 MQOABSDLHLGLBO-UHFFFAOYSA-N 427.866 4.396 5 20 IIBD C[C@@H]1CCC[C@H](OCC(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 733025524 XMYQCDYWGRTVFN-CPUCHLNUSA-N 447.513 4.184 5 20 IIBD COC(=O)C1=C(C)N(CCC(C)C)C(=O)N[C@H]1c1csc(-c2cccc([N+](=O)[O-])c2)n1 733121097 KNAGLCMIWHHGII-SFHVURJKSA-N 444.513 4.278 5 20 IIBD CC(C)(C)OC(=O)N1CCc2c(cccc2NC(=O)NCc2ccccc2[N+](=O)[O-])C1 734210164 SERPVOQNXKMVLW-UHFFFAOYSA-N 426.473 4.210 5 20 IIBD CC(C)(C)OC(=O)N1CCC(N(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C2CC2)CC1 735431401 CSYGTPXFROKBOU-UHFFFAOYSA-N 437.924 4.181 5 20 IIBD CCN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 735444123 PBRNEZHVUNFOGZ-UHFFFAOYSA-N 434.408 4.422 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2cccc(Oc3nccs3)c2)cccc1[N+](=O)[O-] 736918137 LDYILDBUGYEJTD-ZDUSSCGKSA-N 427.438 4.336 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)OC[C@H]2CC(=O)N(C)[C@@H]2c2cccc(Cl)c2)c1 737377066 BCCROUVBSLNPKW-BFUOFWGJSA-N 434.901 4.347 5 20 IIBD COc1cc(/C=C\C(=O)N2CCc3c2cccc3[N+](=O)[O-])ccc1OCc1c(C)noc1C 737583123 BYXIDMIRVJRNMJ-NTMALXAHSA-N 449.463 4.390 5 20 IIBD CN1C(=O)C[C@H](COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc(Cl)c1 740563034 VNDBJACHARSIJU-FOIQADDNSA-N 430.888 4.289 5 20 IIBD O=C(COC(=O)c1ccccc1Oc1ccccn1)Nc1cc(Cl)ccc1[N+](=O)[O-] 741000902 PKDRCUVPEVTZQA-UHFFFAOYSA-N 427.800 4.231 5 20 IIBD COc1ccc([C@H]2[C@@H](C(=O)Nc3cc([N+](=O)[O-])c(Cl)cc3C)CCC(=O)N2C)cc1 741933874 BIIVJLXWZMGGQO-YWZLYKJASA-N 431.876 4.113 5 20 IIBD CCNC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c1 742416992 GPXZTIWKPYDAHR-UHFFFAOYSA-N 425.489 4.225 5 20 IIBD Cc1cncc(C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)c1 742701512 UUWZQBSARYGMQL-LJQANCHMSA-N 425.828 4.488 5 20 IIBD CCN(CC1CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1)C(=O)OC(C)(C)C 744438890 CMSGRRPRAKPJMW-UHFFFAOYSA-N 443.548 4.385 5 20 IIBD C[C@H](OC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 744741973 VQAIXNUAXBJXPY-VHSXEESVSA-N 445.230 4.378 5 20 IIBD COc1ccccc1-c1c[nH]cc1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 744922167 NAUWDOIODTTWTE-LBPRGKRZSA-N 443.843 4.436 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1F)c1cnn(-c2ncccc2Cl)c1C(F)F 746977522 CKADZOKPSHAWRR-UHFFFAOYSA-N 426.738 4.263 5 20 IIBD O=C(COC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N[C@H](c1ccccc1)C1CC1 747957144 KBNLUQNREJODLD-HXUWFJFHSA-N 437.477 4.143 5 20 IIBD O=C(Cc1csc(-c2ccc(Cl)cc2Cl)n1)OCCn1cc([N+](=O)[O-])cn1 748119858 WRAYXCKEEPKTRJ-UHFFFAOYSA-N 427.269 4.008 5 20 IIBD Cc1c(CC(=O)OCC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)cccc1[N+](=O)[O-] 748479112 VEOLKUPAMRIMIL-JOCHJYFZSA-N 442.468 4.095 5 20 IIBD CCc1nc(C(=O)OCCc2ccc([N+](=O)[O-])cc2)nn1-c1c(Cl)cccc1Cl 748939359 BBSJHVAUOSPAPN-UHFFFAOYSA-N 435.267 4.444 5 20 IIBD CN(Cc1ccccc1)Cc1cccc(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])c1 751789444 PEFGQHWEDKODFU-UHFFFAOYSA-N 433.464 4.022 5 20 IIBD Cc1ccc2ncc(C(=O)OCc3ccc(Oc4cccc([N+](=O)[O-])c4)cc3)c(=O)n2c1 752213031 KBGVMCULEPXQEO-UHFFFAOYSA-N 431.404 4.060 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1I)c1c(F)cccc1Cl 752380056 MAVBBCUOABHQCX-MRVPVSSYSA-N 448.619 4.483 5 20 IIBD C[C@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1cccc(N2CCOC2=O)c1 755027000 DETSMBOELNPJIS-NSHDSACASA-N 449.261 4.197 5 20 IIBD C[C@@H](C(=O)OCc1nc(O)c2ccc(C(F)(F)F)cc2n1)c1ccc([N+](=O)[O-])cc1F 755068812 XWIFEHIWVJRDQZ-SECBINFHSA-N 439.321 4.248 5 20 IIBD COc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1 755205654 KKOPWXOYJAFHFT-HSZRJFAPSA-N 445.475 4.461 5 20 IIBD O=[N+]([O-])c1cc2c(c(CN(Cc3ccccc3)C[C@@H](O)c3ccsc3)c1)OCOC2 756899155 ANRVQPIXVRDNES-OAQYLSRUSA-N 426.494 4.259 5 20 IIBD COC(=O)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccc(Cl)cc1 758561995 PTORRULNTUPRBR-ZDUSSCGKSA-N 441.665 4.045 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 764156365 NSUCPVYBPYMQRX-UHFFFAOYSA-N 437.562 4.426 5 20 IIBD CNC(=O)c1cc(Oc2cc(C)ccc2NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)ccn1 764277972 FJTJANOMLCDHME-UHFFFAOYSA-N 440.843 4.356 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN(C)Cc2ccc(OC)c(C)c2)c1=S 764971021 LTTKOMQZPWVWSM-UHFFFAOYSA-N 427.530 4.416 5 20 IIBD CC(C)(C)OC(=O)N1CCCN1C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 765324470 BIOBQFYVDZVPLJ-UHFFFAOYSA-N 426.473 4.205 5 20 IIBD CC(C)(C)OC(=O)NC1CCC(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 769119390 ITDLLYQWTQDCSF-UHFFFAOYSA-N 432.521 4.105 5 20 IIBD C[C@@H](OC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)Nc1ccccc1Cl 770157211 PWXGOWXZGHRNHN-SECBINFHSA-N 427.638 4.195 5 20 IIBD O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)c([N+](=O)[O-])c1N[C@@H]1CCC[C@@H]2OCC[C@H]21 771170044 IOQIVXKROOTXEB-CRODYANQSA-N 446.504 4.242 5 20 IIBD CCCN(C(=O)c1ccccc1NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)C(C)C 771524423 FWJPKGBPQGUJST-UHFFFAOYSA-N 427.505 4.089 5 20 IIBD CC(C)(C)OC(=O)NC1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 771766416 GDHNOAQXDSJEHU-UHFFFAOYSA-N 432.399 4.135 5 20 IIBD CSc1nc(C)c(CCC(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)c(C)n1 773365352 ZTFULUGZRNAVTL-UHFFFAOYSA-N 440.319 4.162 5 20 IIBD CC[C@]1(O)CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)C1 779344202 XBDCCPIPLPCBRS-VWLOTQADSA-N 437.540 4.041 5 20 IIBD CCC[C@@H]1C[C@@H](C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 780167051 VNGWKSRZNSJWCH-SGMGOOAPSA-N 432.395 4.079 5 20 IIBD CCOC(=O)c1ccc(F)c(C)c1NC(=O)c1cc([N+](=O)[O-])ccc1Br 780300973 HFIMMRGYBMWERT-UHFFFAOYSA-N 425.210 4.234 5 20 IIBD Cc1cc(C)n(-c2ccc(NC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2F)n1 781626677 UDJSGWHVLPLILK-UHFFFAOYSA-N 427.392 4.016 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccnc(Sc2ccccn2)c1 781636790 RWPFISIKANHGSQ-UHFFFAOYSA-N 425.426 4.016 5 20 IIBD CCN(C(=O)CSc1ccccc1[N+](=O)[O-])c1ccc(S(=O)(=O)C(F)(F)F)cc1 783940037 BIRXVXRXWZPEJN-UHFFFAOYSA-N 448.444 4.034 5 20 IIBD CC[C@H](OC1CCCC1)C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 785936437 RDJKSYSGDWROOY-ZBEGNZNMSA-N 432.395 4.222 5 20 IIBD CCC[C@H](N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 788585912 XOGPFRVVFPRIOK-IERDGZPVSA-N 425.533 4.235 5 20 IIBD CCn1c(/C(Cl)=C\c2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)nc2c(F)cccc21 788733173 NDXPEVFPKFRTCL-UKTHLTGXSA-N 433.823 4.392 5 20 IIBD COC(=O)[C@H](OC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccsc1 788927956 ZMXXWIZPFRBKLT-BFUOFWGJSA-N 441.465 4.296 5 20 IIBD Cc1cnc(COC(=O)[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)c(C)c1[N+](=O)[O-] 789440384 MMRCKSRWAAIWDB-GXYHREHHSA-N 443.544 4.007 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N(Cc1ccccc1)C[C@H](O)c1ccco1 790875528 GQHMIQASQBZKTB-IBGZPJMESA-N 432.835 4.285 5 20 IIBD O=C(Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2)c1ccc(Cl)c([N+](=O)[O-])c1 791372043 PBZCVMQLDIZEHZ-UHFFFAOYSA-N 427.816 4.204 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(NC(=O)c3ccccc3)cn2)cc1[N+](=O)[O-] 795665235 MPMYAHHVDZQHGQ-UHFFFAOYSA-N 446.872 4.005 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N(CCO)Cc1cccnc1Cl 797627000 AKUYCHSHVWVLDE-UHFFFAOYSA-N 442.859 4.462 5 20 IIBD COC(=O)c1sc(/C=C\c2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])nc1Cl 799500051 TXTLPKFCAMNNBR-ARJAWSKDSA-N 434.804 4.314 5 20 IIBD C[C@@H](C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 800376480 BPEDKCBIGFVULT-TYCQWZJGSA-N 439.512 4.218 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(NS(=O)(=O)c2ccc(Cl)cc2Br)c1 800930836 SDWRNFLRIHPJAX-UHFFFAOYSA-N 426.075 4.465 5 20 IIBD O=C(Nc1ccc(Br)cn1)C1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 804358536 GBPSCIYWBREEDO-UHFFFAOYSA-N 439.697 4.261 5 20 IIBD CC(=O)c1oc2cc(C)ccc2c1CC(=O)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 805923827 QFWIVJUBBZPLES-INIZCTEOSA-N 440.427 4.356 5 20 IIBD Cc1c(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cnn1-c1ccc(Cl)cc1 809398426 BVCFSQSMVJVGKL-UHFFFAOYSA-N 429.820 4.222 5 20 IIBD CN([C@@H]1CCO[C@H](c2ccc(F)cc2)C1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F 809830838 GEWUYVRXFMWBMG-DYVFJYSZSA-N 446.859 4.067 5 20 IIBD CN(Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H](C(N)=O)c1cccc(Br)c1 809969849 DNKCLKZUMVRYDO-OAHLLOKOSA-N 447.116 4.323 5 20 IIBD C[C@H](C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cccc(Br)c1 812607892 BENZOYKFPKGGLO-NSHDSACASA-N 432.230 4.254 5 20 IIBD CC(C)(NCc1cc(I)cc([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-] 813791704 IIRJOIBUKAANII-UHFFFAOYSA-N 441.225 4.133 5 20 IIBD O=[N+]([O-])c1ccc(N2CC3(CCC3)[C@@H]2c2ccccc2)c(S(=O)(=O)N2CCCC2)c1 814372428 NMZHLNMKZHZPAA-NRFANRHFSA-N 427.526 4.111 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1cnc(OCc2ccccc2)cn1 815238667 CPCCPCJTKKOFDP-UHFFFAOYSA-N 433.342 4.340 5 20 IIBD CN=[S@](C)(=O)c1cccc(NCc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])c1 864014529 RZUJCVCGLOAKMV-SSEXGKCCSA-N 447.435 4.243 5 20 IIBD CC(C)N(Cc1ccco1)C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 914483590 FUEHPTQDDVLDDD-UHFFFAOYSA-N 444.465 4.006 5 20 IIBD Cc1ccc(-n2ncc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3C)c2C(C)C)cc1 914978183 KZWYZGSRWLIOPW-UHFFFAOYSA-N 436.468 4.316 5 20 IIBD O=C(COCC(F)(F)F)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 915549667 KHCBHIJRBMBXQD-MRXNPFEDSA-N 446.765 4.050 5 20 IIBD Cc1cc(C(=O)COc2ccc([N+](=O)[O-])cc2F)c(C)n1Cc1ccc2c(c1)OCO2 915664372 FTJDRBOULKGLFH-UHFFFAOYSA-N 426.400 4.191 5 20 IIBD CCOc1cc(C(=O)OCC2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])cc1OC 920135873 OYHSXKSZQZCOTD-UHFFFAOYSA-N 428.485 4.071 5 20 IIBD COC(=O)c1oc2ccccc2c1COC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 920780171 YIHCTYXQAYBUDO-LLVKDONJSA-N 433.800 4.292 5 20 IIBD CC(C)OC(=O)COc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 1227511260 GEHPZBQZABULMU-UHFFFAOYSA-N 427.240 4.484 5 20 IIBD COCCCCN(Cc1ccccc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1N 1256679393 DJDHFPQNJSENKV-UHFFFAOYSA-N 436.306 4.009 5 20 IIBD CCOc1cc(C(=O)N[C@@H](C)c2ccc(F)cc2OC(F)F)c([N+](=O)[O-])cc1OC 1319663538 YWRIWIFHROZNNP-JTQLQIEISA-N 428.363 4.234 5 20 IIBD CCOc1cc(NC(=O)c2nc(C3CC3)n(-c3ccccc3)n2)c([N+](=O)[O-])cc1OCC 1322316015 HZENQMXHEIRUHH-UHFFFAOYSA-N 437.456 4.103 5 20 IIBD O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)c1cc(F)c([N+](=O)[O-])cc1F 1338255316 CCNGEBFAYXSGTB-UHFFFAOYSA-N 441.765 4.462 5 20 IIBD O=C(NC[C@@H]1CCCN(Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1)C(F)(F)F 1343552637 NADDSMKNUKQBFZ-LBPRGKRZSA-N 445.825 4.399 5 20 IIBD O=C(COC1CCCCC1)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1 1786013664 ZQMFUWDFFCITTK-UHFFFAOYSA-N 441.484 4.285 5 20 IIBD Cc1cccnc1C(=O)Nc1ccc(C2(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)CCC2)cc1 1786500071 PPDZTLGCAKOQTE-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3cc(F)ccc3F)CCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 1790187239 LDOOPCVMFFKJDK-UHFFFAOYSA-N 440.406 4.263 5 20 IIBD Cc1[nH]ccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 1801207006 OZWOVKOELOEICO-MUJYYYPQSA-N 438.509 4.012 5 20 IIBD O=C(c1ccsc1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830615274 UTAXQEWFBCJCRT-FQEVSTJZSA-N 445.516 4.343 5 20 IIBD C[C@@H]1CCC[C@H]1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830617428 OYNJJTDPMKKYMQ-NPFVIJTESA-N 445.535 4.403 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC(C)C)CC1 1830788725 CIQQEZHKKNPRCC-HXUWFJFHSA-N 445.560 4.278 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CC2(CCCN2C(=O)c2ccccc2Oc2ccccc2)C1 1844866622 QHRXLKFJAXAHSA-UHFFFAOYSA-N 447.447 4.111 5 20 IIBD Cc1cc(C(=O)COC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c(C)n1-c1nccs1 9870904 VGAHQALOBOGPJE-UHFFFAOYSA-N 440.481 4.073 5 20 IIBD COc1cccc(-c2nc(COC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cs2)c1OC 10897742 NCJWVASXKFHIKR-DHZHZOJOSA-N 426.450 4.492 5 20 IIBD CCCOc1ccc(C(F)(F)F)cc1NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 11623684 CGHDXJPWBXPKHE-UHFFFAOYSA-N 427.379 4.462 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)COc1ccc(Oc2ccccc2)cc1 12843824 HTRXDJODKMUEEE-UHFFFAOYSA-N 436.420 4.256 5 20 IIBD CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc(SC)c([N+](=O)[O-])c1 14570317 BFFIOZZMMJOYFC-UHFFFAOYSA-N 446.916 4.259 5 20 IIBD COc1cc(CCNC(=S)Nc2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])cc1OC 16946481 KZLISZPYJXFCJJ-UHFFFAOYSA-N 445.419 4.040 5 20 IIBD C[C@@H](OC(=O)CSc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1Br 24124228 QPOWICCRELZRIT-LLVKDONJSA-N 439.287 4.020 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cc1[N+](=O)[O-] 24432646 BGPJHDLWJXAKJZ-UHFFFAOYSA-N 425.894 4.342 5 20 IIBD Cn1c(COc2ccc(Cl)cc2)nnc1SCCC(=O)Nc1ccc([N+](=O)[O-])cc1 26369363 LKLWMAOEZYPNDM-UHFFFAOYSA-N 447.904 4.077 5 20 IIBD COc1cc(C(=O)Nc2nc3ccc(Br)cc3s2)c([N+](=O)[O-])cc1OC 36649307 QYEJLVHQMQSPPH-UHFFFAOYSA-N 438.259 4.237 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 43840827 YMHTVRNXVTWMRS-FQEVSTJZSA-N 431.492 4.259 5 20 IIBD Cc1cc(NC(=O)CN(C)C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)no1 57830028 WVFUKALPPVESHH-UHFFFAOYSA-N 444.831 4.048 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3)c2)c1 60401427 RNKZTPBIWOEAOG-UHFFFAOYSA-N 443.506 4.370 5 20 IIBD Cc1ccc(OC2CCN(c3ccc(C(=O)c4nccn4C)cc3[N+](=O)[O-])CC2)cc1C 64113414 HVOVDXRSPKFATQ-UHFFFAOYSA-N 434.496 4.224 5 20 IIBD Cn1cc(C(=O)Nc2cccc(OCc3cccnc3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 65073253 HZCWJBMFZCYTEI-UHFFFAOYSA-N 429.436 4.222 5 20 IIBD Cc1ccc(C)n1C1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC1 116584369 SWUXCFOTKKXKBP-UHFFFAOYSA-N 425.407 4.432 5 20 IIBD CN(C)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2 206744111 SAFOGXVJBYNXNG-VKAVYKQESA-N 445.475 4.265 5 20 IIBD CC(C)(C)c1csc(CCNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)n1 301178526 HATTZVDXHZRCDZ-UHFFFAOYSA-N 433.921 4.203 5 20 IIBD O=C1[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)CCCN1Cc1ccc(F)cc1F 302769466 MJPYSMKWWGJPKF-HNNXBMFYSA-N 427.354 4.078 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)cc1SC 303201623 OKRQSYDNFMGZEP-UHFFFAOYSA-N 443.569 4.407 5 20 IIBD CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 426280913 VZXNENPSRGUELS-HXUWFJFHSA-N 439.434 4.486 5 20 IIBD O=C(O)[C@H](CNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)Oc1ccc(F)cc1 426628239 KXHJYSWSBFOIKB-NRFANRHFSA-N 444.390 4.287 5 20 IIBD CCCC[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C 430325357 WVKSIGFEHSZFNM-GXTWGEPZSA-N 426.311 4.079 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N2CCC[C@H](N(C)C)CC2)cc1[N+](=O)[O-] 430430587 LRDYIXBRVPILCI-KRWDZBQOSA-N 441.553 4.104 5 20 IIBD Cc1ccc(-n2cnnc2SCC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1Cl 430555790 XWACJIVZJSMOTE-UHFFFAOYSA-N 445.932 4.281 5 20 IIBD CCO[C@@H](C)c1nc(CC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cs1 431185509 YSBMEWSZYRERGG-JTQLQIEISA-N 428.308 4.401 5 20 IIBD C[C@H]1CC[S@@](=O)CCN1C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 432459066 YFOVJGOSLLTYQJ-CFJPQMKISA-N 438.958 4.383 5 20 IIBD Cc1c(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)noc1-c1ccccc1F 433900987 LSJYUKWBSRGONY-UHFFFAOYSA-N 440.431 4.773 5 20 IIBD CCOc1cc(NC(=O)C(=O)Nc2cccc(SCC)c2)c([N+](=O)[O-])cc1OCC 440367384 VOTFJHFJTNAVGW-UHFFFAOYSA-N 433.486 4.081 5 20 IIBD CO[C@H]1CCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 441460851 VPBYICDHQAXNDX-JTSKRJEESA-N 434.496 4.016 5 20 IIBD CC(C)c1c(C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cnn1-c1cccc(Cl)c1 444630562 HQCZVIIVHJWMDC-UHFFFAOYSA-N 438.875 4.364 5 20 IIBD Cn1cnc([N+](=O)[O-])c1-c1noc(CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)n1 445580118 SNXSGDWJTPQVQX-UHFFFAOYSA-N 432.415 4.451 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3ccc(C)c(NC(=O)NC(C)(C)C)c3)n2)c1 445580475 RSUWFWXHUCPXCI-UHFFFAOYSA-N 439.472 4.473 5 20 IIBD O=C(Cc1ccc(F)c(Br)c1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 460353450 PVEQONMSQOYCLR-KRWDZBQOSA-N 425.279 4.313 5 20 IIBD O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 461453581 YZMRVKCBZYSCIQ-LEWJYISDSA-N 437.543 4.275 5 20 IIBD COc1ccccc1[C@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 461582832 JYEQNMQEUVLQDY-LAUBAEHRSA-N 449.511 4.240 5 20 IIBD CC1(C)[C@H]2OCCC[C@H]2[C@H]1Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 462916260 ZRPJNSNEEUNJPA-DBVUQKKJSA-N 431.514 4.011 5 20 IIBD COCCCCc1cccnc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 463025881 UDJWKZHBMYKAOM-UHFFFAOYSA-N 426.517 4.448 5 20 IIBD CCC[C@H](CCO)CNc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] 463053731 JZGMDEDRRZOSLZ-QGZVFWFLSA-N 435.546 4.223 5 20 IIBD COc1ccccc1C[C@@H](C)N(C)C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 464167482 DECCTAAIUXAAPG-MRXNPFEDSA-N 436.512 4.168 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 464725390 XGOGGHNPWQPEIK-JOCHJYFZSA-N 431.448 4.352 5 20 IIBD Cc1[nH]c2ccccc2c1C1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 465069552 BAUSSOMJIJKOEQ-UHFFFAOYSA-N 435.480 4.104 5 20 IIBD O=C(NCCc1cn2c(n1)SCC2)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 466505788 QYIPHIXRZSRQTF-UHFFFAOYSA-N 426.523 4.021 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC2(CCOCC2)O1 468485634 AQNWYYFHBZYBOZ-OAHLLOKOSA-N 446.887 4.451 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1c(OC(C)C)ccc2ccccc12 468938940 JBYZKCQHOZRAIR-IBGZPJMESA-N 439.516 4.084 5 20 IIBD CCOc1cc(NC(=O)c2cc(C)n(-c3c(F)cccc3F)n2)c([N+](=O)[O-])cc1OCC 471000264 FOZFTGNYBOFCIF-UHFFFAOYSA-N 446.410 4.417 5 20 IIBD CCOc1ccc(S(=O)(=O)N(C)c2ccc(Oc3ccc([N+](=O)[O-])c(C)n3)cc2)cc1 471627276 QZWXZSWJQMIFLV-UHFFFAOYSA-N 443.481 4.314 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)Nc1cccc(CCC(=O)OC(C)(C)C)c1 472961402 VFCCTQILTCPUMN-UHFFFAOYSA-N 441.484 4.063 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2cc([C@@H]3CCCOC3)[nH]n2)cc1[N+](=O)[O-])c1ccccn1 473406353 BSTMPQMJEZFIFO-GOEBONIOSA-N 436.472 4.032 5 20 IIBD Cc1ccc(-c2n[nH]c(SCC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2)cc1 481142826 MXFXZSRCJTWGOV-UHFFFAOYSA-N 425.514 4.218 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc(Cl)c2Br)cc1[N+](=O)[O-] 483869127 IFQFEFWUJNFBHO-SNVBAGLBSA-N 440.681 4.135 5 20 IIBD O=C(CCc1ccccc1)N1CCCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 485399209 AATXTQHAQVMXSH-UHFFFAOYSA-N 448.498 4.467 5 20 IIBD COC(=O)c1cc(NC(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c(C)c([N+](=O)[O-])c1 486894343 DZKDMFOYJVGRGX-XLIONFOSSA-N 445.447 4.213 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCC[C@@H](Oc2ncccc2F)C1 488585822 XRQPMELMPSAHIX-GFCCVEGCSA-N 428.342 4.223 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 489128131 MGDDLAONVAIKGK-GOSISDBHSA-N 441.553 4.121 5 20 IIBD Cc1c(NC(=O)CCN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cccc1[N+](=O)[O-] 490017127 MBTGLNDDKVDAGG-MRXNPFEDSA-N 428.558 4.447 5 20 IIBD COc1cc(OC)c(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1Br 490926115 KVDAAWCYBOXLKI-UHFFFAOYSA-N 447.188 4.228 5 20 IIBD CCC[C@]1(C(F)(F)F)CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 491515463 VFWLRBPRMYSRQJ-CYBMUJFWSA-N 434.358 4.499 5 20 IIBD CN(CCc1ccc(Cl)cc1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br 492461067 COMOTCXFFUMGQX-UHFFFAOYSA-N 426.698 4.124 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N[C@H]1CCOC2(CCOCC2)C1 494133635 CKUQDYIOVQEWKJ-KRWDZBQOSA-N 427.457 4.237 5 20 IIBD C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CCC(C(F)(F)F)CC1 494879145 QOPJLGZQHFHDAZ-LLVKDONJSA-N 428.436 4.320 5 20 IIBD O=C(Nc1cccnc1OCC(F)F)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 498766286 PKYOGBIHXDBLIV-UHFFFAOYSA-N 428.395 4.498 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(CO[C@@H]2CCC[C@@H](C)C2)c1 499165708 AXELSFKAOSUNMI-HYFFOGBASA-N 439.512 4.447 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 501905605 XYEBYNFYTPBAFB-UHFFFAOYSA-N 438.402 4.100 5 20 IIBD CCOc1ccc([C@@H](C)NC[C@@H](O)COc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] 504925290 AOKQGPZMGAYPLR-TZMCWYRMSA-N 429.300 4.391 5 20 IIBD COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 505453827 QETPQTBOAZHMHJ-UHFFFAOYSA-N 428.408 4.275 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1Cc1c(F)cc([N+](=O)[O-])cc1F 509007509 SCDAMOOIHMJWRX-JOCHJYFZSA-N 442.466 4.308 5 20 IIBD C[C@@H](Sc1cccc([N+](=O)[O-])c1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 509708789 UDMIAYBRYACFTL-SNVBAGLBSA-N 425.388 4.080 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2ccc(-c3c(F)cccc3F)o2)CC1 509800549 YAITWSCELRGDMX-UHFFFAOYSA-N 433.436 4.153 5 20 IIBD Cc1cccc([C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2cccc(F)c2)c1 511046603 LHIFJMLFRZXQLR-JOCHJYFZSA-N 428.485 4.195 5 20 IIBD O=C(Nc1ccc(Cl)c(N2CCNC2=O)c1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 512106676 PBYCCJUXNBATDG-UHFFFAOYSA-N 428.754 4.049 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C(=O)Nc2ccccc2)C1 512923946 BMVVUTDQVOPJNT-INIZCTEOSA-N 428.514 4.133 5 20 IIBD CCC[C@@H](Cc1ccccc1)N(CCC)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 513404731 OJNLNAHJMMVUGI-IBGZPJMESA-N 432.542 4.262 5 20 IIBD O=C(NCc1cnn(Cc2ccccc2)c1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 514160012 JQQZUWYIDBPKFN-UHFFFAOYSA-N 441.491 4.382 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 516501659 KZMRFDGJPCGLBX-CQSZACIVSA-N 440.475 4.430 5 20 IIBD O=C(Nc1nc(-c2ccc(Cl)cc2)n[nH]1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 517746449 AUTFWJXWFGIJRT-UHFFFAOYSA-N 426.845 4.409 5 20 IIBD Cc1cccc(C(=O)Nc2cc(-c3ccc(I)cc3)[nH]n2)c1[N+](=O)[O-] 518354454 NQPUREJZWYYXJS-UHFFFAOYSA-N 448.220 4.150 5 20 IIBD C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 518616739 NBWVBOIXCCDWEL-JTQLQIEISA-N 431.297 4.138 5 20 IIBD COc1ccc(CC[C@H](C)NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 519171004 HDRCMVDFFLQNDZ-INIZCTEOSA-N 436.512 4.216 5 20 IIBD Cc1cc(S(=O)(=O)N(Cc2ccc(Br)cc2)C(C)C)ccc1[N+](=O)[O-] 522412434 ICEVXLZBHQWYFV-UHFFFAOYSA-N 427.320 4.265 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)Cc1csc(C(C)(C)C)n1)c1ccccc1[N+](=O)[O-] 524159947 AXRYCALOLSRWIL-INIZCTEOSA-N 433.530 4.091 5 20 IIBD COc1cc(C(=O)N[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)ccc1[N+](=O)[O-] 533244595 GFMJLRZOSZTDEK-IBGZPJMESA-N 448.401 4.439 5 20 IIBD Cc1nc2ccccc2n1C[C@H]1CCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 535963308 LKUWDMIWHDQGOX-MRXNPFEDSA-N 427.892 4.009 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N(CCCO)Cc1ccc(Cl)c(Cl)c1 536175728 WMNOXOCOGSIKNZ-UHFFFAOYSA-N 449.294 4.112 5 20 IIBD COC(=O)C1(N(C)C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CCCCC1 536291670 WMKNCZJHZSUAGL-INIZCTEOSA-N 440.500 4.111 5 20 IIBD CC[C@H](c1ccccc1)N(CC(=O)OC)C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] 536400644 JZVIYQYJDRODNO-MRXNPFEDSA-N 432.498 4.092 5 20 IIBD CC[C@H](C)Cc1c(C)sc2nc(SCCn3cc([N+](=O)[O-])ccc3=O)nc(O)c12 536447279 GCNAMDXYHPISMP-NSHDSACASA-N 434.543 4.156 5 20 IIBD CO[C@H](C)c1nc(CN2CCCN(C(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)CC2)cs1 536732733 WRBNZVBLKGDGPE-QGZVFWFLSA-N 446.573 4.032 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C 539849833 NCPYDUGSNDEEEP-UHFFFAOYSA-N 448.317 4.302 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c1 540892790 WUHUDLDZDIMGCN-HNNXBMFYSA-N 440.308 4.159 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[C@H]2c2cccc(Br)c2)s1 542102180 QPMCDRJGDSLQGY-LBPRGKRZSA-N 431.333 4.164 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 543336715 WJPWOAVLIZOEGW-UHFFFAOYSA-N 437.327 4.365 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 543383183 IDKSLBJFBDWHLV-UHFFFAOYSA-N 444.875 4.487 5 20 IIBD Cn1c(SCc2coc(-c3cccc(Cl)c3)n2)nc2cc([N+](=O)[O-])ccc2c1=O 545818463 MMWOEBTWDWSQJA-UHFFFAOYSA-N 428.857 4.442 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 546777529 CCZMKRBXZJMCSG-IBGZPJMESA-N 431.901 4.047 5 20 IIBD CC(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 549441413 XQVJIFODPFICLL-UHFFFAOYSA-N 446.515 4.096 5 20 IIBD Cc1ccc([C@@]2(C)CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3C[C@H]3CCOC3)C2)cc1 550017729 KSMGVFXRWYCROM-CLOONOSVSA-N 447.539 4.366 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H]2CCOc3c(Cl)cccc32)cc1[N+](=O)[O-] 551720534 SZGXTSVFBUEVSJ-INIZCTEOSA-N 431.876 4.124 5 20 IIBD Cn1ccnc1[C@@H](NCCc1cc(Br)ccc1F)c1ccc([N+](=O)[O-])cc1 552049203 OWAXMFKCMNIIGH-SFHVURJKSA-N 433.281 4.152 5 20 IIBD Cc1nc([C@@H](C)NC(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)n[nH]1 553293448 PNAACOUWGQPUOO-KWWJGWKXSA-N 448.508 4.439 5 20 IIBD CCn1c(SCCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1cccc(C)c1 553962500 WQTPQPCAADGASA-UHFFFAOYSA-N 441.513 4.311 5 20 IIBD CCC1(CNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CCOCC1 561408934 DGRYYFFGMRZDKV-UHFFFAOYSA-N 427.288 4.024 5 20 IIBD C[C@@H](Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-])c1ccc(Cl)cn1 562867934 AFTYJFNUXLDIHS-CQSZACIVSA-N 438.937 4.381 5 20 IIBD Cc1nc(C2CCCCC2)sc1C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 566816456 BMPKSDVJLJPAEN-UHFFFAOYSA-N 442.541 4.006 5 20 IIBD COc1cc(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c([N+](=O)[O-])cc1OCC(F)(F)F 571218461 NVRGFPJZKULJKD-MAUKXSAKSA-N 430.423 4.078 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OC(F)F)cc1OC(F)F 573811099 WJZMMCCZWNHLFJ-UHFFFAOYSA-N 438.355 4.161 5 20 IIBD CSc1cccc(C(=O)N[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)c1[N+](=O)[O-] 573880267 DYEVTYZYCMXAJG-IBGZPJMESA-N 440.443 4.467 5 20 IIBD COc1ccc(C(=O)NCC(=O)N2CCCCC[C@@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] 574070692 UEVMAPJAIFWUQY-GOSISDBHSA-N 445.903 4.131 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@@H](c1c(Cl)cccc1Cl)C1CC1 574965301 CURXVWBBZIJEAQ-MRXNPFEDSA-N 426.231 4.247 5 20 IIBD Cc1cc(NC(=O)NCc2cccc(-c3nc(CC(F)(F)F)no3)c2)ccc1[N+](=O)[O-] 589245861 MUANKFGPXXKQDL-UHFFFAOYSA-N 435.362 4.380 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCCc1c[nH]c2cccc(Br)c12 589469298 LEKNHPGYHZKZJK-UHFFFAOYSA-N 441.285 4.221 5 20 IIBD COc1cc(CNCc2cccc(C(=O)N(C)C)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 603586147 TYGZPDDNXGPZOQ-UHFFFAOYSA-N 449.507 4.174 5 20 IIBD CCn1c(SC[C@H](O)COc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1 608853492 LBICTPYLSGZBLS-MRXNPFEDSA-N 434.905 4.059 5 20 IIBD CCOc1cc(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)c([N+](=O)[O-])cc1OC 609021189 FWGZWGRRVINVTQ-UHFFFAOYSA-N 434.861 4.426 5 20 IIBD COc1cc(CCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])cc1OC 609035051 KGBMTTYQXAEOPR-ZIAGYGMSSA-N 439.295 4.381 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC(c2nc(-c3ccccc3)no2)CC1 609141960 ZEYYUAHBUUANPN-UHFFFAOYSA-N 431.452 4.006 5 20 IIBD COc1ccc(-c2ccc(C(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)c(F)c2)cc1 609297688 GJCNKCAXGXHCPG-UHFFFAOYSA-N 435.455 4.372 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 609309427 CVWCZXBPYLCRSF-QGZVFWFLSA-N 429.231 4.020 5 20 IIBD COC(=O)c1ccccc1NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 609852797 QCALMBXIYMUZPY-UHFFFAOYSA-N 435.223 4.126 5 20 IIBD C[C@H]1C[C@@H](c2ccc(F)cc2)CN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 609917481 KXAFVLIWOITRRC-WCQYABFASA-N 443.294 4.063 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1 610041990 RLPHYLDVNSJWEZ-UHFFFAOYSA-N 433.390 4.245 5 20 IIBD COc1cc(OC)c(NC(=O)COc2ccc(Br)cc2[N+](=O)[O-])cc1Cl 610219650 YNWCCFAFKIXUCV-UHFFFAOYSA-N 445.653 4.045 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N[C@@H]1CCN(C(=O)C2CCCC2)C1 610773338 SUKHDKPTGLYFNV-GOSISDBHSA-N 438.484 4.300 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CCN(c2ccc(F)cn2)CC1 611401532 SNDBWEIYHHNIQD-UHFFFAOYSA-N 430.505 4.126 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc([C@H](C)c2ccc(Br)cc2)no1 612980640 JIJHBIKIZKVRPY-NEPJUHHUSA-N 445.273 4.383 5 20 IIBD CCOc1cc(NC(=O)Cn2c(CSC)nc3ccccc32)c([N+](=O)[O-])cc1OCC 619212830 IRZBIXVTSIAXAL-UHFFFAOYSA-N 444.513 4.244 5 20 IIBD O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 681971153 DMUZHQLPUVLYND-HXUWFJFHSA-N 425.532 4.323 5 20 IIBD CC(=O)N1CCC[C@@H](C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2OCc2ccccc2)C1 727961199 DPQVUHWHPMOQMQ-MRXNPFEDSA-N 431.876 4.024 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cn2cc(-c3ccc(F)cc3)oc2=S)CC1 728196159 RDVQFXYUADPBRQ-UHFFFAOYSA-N 448.501 4.002 5 20 IIBD O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1 728510476 ZUSJVZBJALCZPK-UHFFFAOYSA-N 438.383 4.392 5 20 IIBD CCSc1ccc([C@H](C)NC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cc1 728834992 HHLPNHIMOHIQQW-ZFWWWQNUSA-N 431.489 4.076 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 729181610 CKVCDJHUGWXJTE-HNNXBMFYSA-N 426.281 4.055 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCN(c2c([N+](=O)[O-])cnc3ccc(Br)cc23)C1 730109575 SXELQLDYSFUNHA-GFCCVEGCSA-N 437.294 4.009 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 731038268 OUYKTVNBJBQYCV-VLIAUNLRSA-N 426.448 4.291 5 20 IIBD O=C(Oc1ccc(C(=O)N2CCc3sccc3C2)cc1)c1cc(F)c(F)cc1[N+](=O)[O-] 731332640 BSXUYDQIULJSEW-UHFFFAOYSA-N 444.415 4.352 5 20 IIBD O=C(O[C@H](c1cccc(Cl)c1)C(F)(F)F)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 731552206 MURREKWRVKFJDK-OAHLLOKOSA-N 426.738 4.289 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 731612693 ZAKLDOUGZDJBRG-LJQANCHMSA-N 440.496 4.456 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccccc1COc1cccc(C=O)c1 731747953 BTWDHJCMFDGBAE-UHFFFAOYSA-N 448.431 4.090 5 20 IIBD Cc1ccc(C[C@@H]2CCCN2S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])cc1 733319544 OJOWWNKIQDJXSX-INIZCTEOSA-N 439.331 4.062 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1cc2ccccc2o1 735353203 CRFDNCHYTBSSDW-QWHCGFSZSA-N 449.419 4.018 5 20 IIBD CC(C)(C(=O)N1CCO[C@H](c2ccccc2Br)C1)c1ccc([N+](=O)[O-])cc1 739710863 UWOBTJVBZHTVKL-SFHVURJKSA-N 433.302 4.235 5 20 IIBD C[C@@H](OC(=O)c1cn(C)nc1C1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 744930341 STFISJYBWOWGAC-GFCCVEGCSA-N 434.880 4.213 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)cc1SC 746266231 YSLWOKSSIVOZLL-MAUKXSAKSA-N 434.489 4.193 5 20 IIBD CCOc1ccccc1[C@H](CC(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 746411384 NQEHVTGCRXJVKY-NRFANRHFSA-N 441.528 4.347 5 20 IIBD CC[C@H](C(=O)N1CCC(NC(=S)Nc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 749109807 XNLSCTNAGNXFDZ-FQEVSTJZSA-N 426.542 4.066 5 20 IIBD COc1ccccc1OCC(=O)Nc1cccc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])c1 751100424 OXQKJTLTYSOEFJ-UHFFFAOYSA-N 439.399 4.012 5 20 IIBD Cc1cc(F)c(C(=O)COC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1F 754078150 RJBSISFERRRITQ-UHFFFAOYSA-N 433.285 4.162 5 20 IIBD CCOc1cc2c(cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)O[C@H](C)C2 754636498 QTTNNJBYHYMITQ-SECBINFHSA-N 439.237 4.471 5 20 IIBD C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1cccc(-n2cccn2)c1 754978135 ROWMNVBGCIOMOW-NSHDSACASA-N 433.237 4.173 5 20 IIBD COc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)Cc2cccc([N+](=O)[O-])c2C)c1 755210141 WSHTUVJTKQDWRJ-DEOSSOPVSA-N 434.492 4.217 5 20 IIBD COc1cccc(NC(=O)[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2OC)c2ccccc2)c1 755671048 BPVTUTBFEYYWHL-NRFANRHFSA-N 436.420 4.149 5 20 IIBD COc1ccc(C(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1Cl 758531381 YQFUCZWACWMQDB-SECBINFHSA-N 429.759 4.286 5 20 IIBD Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)CC3 760872062 BCEKSKBMXHMZFH-LBPRGKRZSA-N 428.286 4.434 5 20 IIBD C[C@@H](C(=O)Nc1cc2c(cc1NC(=O)OC(C)(C)C)OCO2)c1cccc([N+](=O)[O-])c1 761998154 GSTJETPQWMOZNW-GFCCVEGCSA-N 429.429 4.413 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 763508263 XNIKSJGJCIBRJP-MRXNPFEDSA-N 437.924 4.244 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)c1ccc2c(c1)CCN2C(C)=O 763810164 IGIVGWZXHBXCRU-ZDUSSCGKSA-N 442.493 4.044 5 20 IIBD O=C1OC[C@H](COC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])O1 763836215 CCIBRZYFNPITHB-NSHDSACASA-N 443.355 4.457 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 765525413 DUVNMJJGUGFPAQ-GXTWGEPZSA-N 449.847 4.296 5 20 IIBD CC(=O)[C@@H](Cc1c(F)cccc1F)OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F 768744694 HDFQCJLQCZVDSK-MRXNPFEDSA-N 446.175 4.132 5 20 IIBD CCCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CCN(C(=O)OC(C)(C)C)CC1 769360963 MFQZCJPAVJSDTJ-UHFFFAOYSA-N 425.913 4.500 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 769422930 NDQFKTRSUIBFBN-HIFRSBDPSA-N 442.354 4.483 5 20 IIBD C[C@@H](OC(=O)c1cnc(Cc2ccccc2F)s1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 772820934 ZKXDENZQYUQLOB-LLVKDONJSA-N 447.419 4.104 5 20 IIBD O=C1c2ccccc2C(=O)N1CCOc1ccc(NCc2cc(F)ccc2[N+](=O)[O-])cc1 774312889 XEZWCSMZDAOIGV-UHFFFAOYSA-N 435.411 4.021 5 20 IIBD O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 775173220 LKCKFTJOIVNWSJ-OAHLLOKOSA-N 443.656 4.364 5 20 IIBD CCc1ccccc1N1C[C@@H](C(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])CC1=O 776134509 CFUNGMVDFWDAID-CYFREDJKSA-N 445.475 4.238 5 20 IIBD CCCc1nc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])c(Br)cc2C)s1 777650129 CGYYZIZTOJVBPY-UHFFFAOYSA-N 434.337 4.184 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C 780635439 WTCVXYTXPMHNEG-LBPRGKRZSA-N 429.395 4.005 5 20 IIBD O=C(OC[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 781501119 BICBQAMJUMJOHT-GOSISDBHSA-N 440.499 4.391 5 20 IIBD Cn1nc(C(F)(F)F)c(COC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1Cl 782342042 KISGMBGDYOIJTL-UHFFFAOYSA-N 442.575 4.120 5 20 IIBD CN(Cc1cc(F)ccc1[N+](=O)[O-])Cc1cccc(Br)c1OCC(C)(C)O 786450288 COPITTOKMKYOAB-UHFFFAOYSA-N 441.297 4.278 5 20 IIBD CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N)cc1 787105529 VHRUIYOFQWDYAA-UHFFFAOYSA-N 441.465 4.015 5 20 IIBD O=[N+]([O-])c1cc(CSc2nnc(NCC(F)(F)F)s2)ccc1Br 788099190 JCPFNHNAFPWCMY-UHFFFAOYSA-N 429.243 4.475 5 20 IIBD COc1cc(COC(=O)c2ccc3nc(C)c(C)nc3c2)c([N+](=O)[O-])cc1OC(F)F 791436681 BXVDSWRQIZPMJB-UHFFFAOYSA-N 433.367 4.122 5 20 IIBD C[C@@H](C(=O)Nc1c(F)cccc1F)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 792895852 DZOMSLRMLGVUQU-JTQLQIEISA-N 440.244 4.021 5 20 IIBD CC(C)c1[nH]nc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1[N+](=O)[O-] 796259493 LCBVIBRKNDDQEI-QMMMGPOBSA-N 448.785 4.298 5 20 IIBD O=C(NC[C@@H](O)COc1cccc(F)c1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 799691284 IPAQTMSRRYRGPV-MRXNPFEDSA-N 442.468 4.055 5 20 IIBD Cc1noc([C@H]2CCCCN2C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)n1 804858157 NGZIDDNSSJIANL-LLVKDONJSA-N 429.658 4.070 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc(F)c(C(F)(F)F)cc1F 805594307 DNNCHDKLHXGWDS-UHFFFAOYSA-N 429.257 4.299 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)C(=O)NCc1ccccn1 805959018 CMWSSAMWEKKHFO-HNNXBMFYSA-N 437.477 4.003 5 20 IIBD C[C@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1nccn1-c1ccccc1 806366888 FNJAQDSIBLZJGJ-LBPRGKRZSA-N 430.262 4.426 5 20 IIBD C[C@H](OC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccc(SCC(=O)N(C)C)cc1 809073612 LQPFMQIIELKYHB-ZDUSSCGKSA-N 427.482 4.174 5 20 IIBD O=C(NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)Nc1cccc([N+](=O)[O-])c1Cl 809920375 XWGDFDHDPWWRFR-KRWDZBQOSA-N 439.299 4.097 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(C(=O)OC(C)(C)C)c2ccccc21 810053590 QYBCQEJOJITLIK-UHFFFAOYSA-N 426.473 4.103 5 20 IIBD C[C@@]1(CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)OCCc2sccc21 810198849 KMMBCOUCKHGSFN-INIZCTEOSA-N 426.292 4.028 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)O[C@@H]1CCN2CCC[C@@H]2C1 810850115 JTGDVDXWAIUUNA-DHIUTWEWSA-N 446.507 4.160 5 20 IIBD CS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 811031180 XROCTFCLDCGHHL-UHFFFAOYSA-N 438.672 4.316 5 20 IIBD COc1cc(C(=O)OCC(=O)c2ccc(C(F)(F)F)nc2Cl)cc([N+](=O)[O-])c1C 811193050 GEVNENGIIBAPQM-UHFFFAOYSA-N 432.738 4.019 5 20 IIBD COc1cc(OC)cc(OCCCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 813047554 YMCAARHFPNXSKD-UHFFFAOYSA-N 429.256 4.118 5 20 IIBD O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2ncnc3sc(-c4ccccc4)cc23)CC1 814949342 GBVFVURFBJILLO-UHFFFAOYSA-N 445.504 4.229 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)OC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 822347320 UVGYHLZAZJXKJS-AWEZNQCLSA-N 442.859 4.235 5 20 IIBD O=C(OCCOc1ccccc1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 825336266 OSIJXKFBDNDRIP-UHFFFAOYSA-N 438.402 4.452 5 20 IIBD COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C 884004097 GCQDCUYLHFDSHU-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD COc1ccc(CSCC(=O)OCc2nnc(-c3ccccc3Cl)o2)cc1[N+](=O)[O-] 914802611 ZFPIWVNYLYPZNN-UHFFFAOYSA-N 449.872 4.283 5 20 IIBD O=C(NC1CC1)c1ccc(CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C2CC2)cc1 915308735 QHYILPUGHKRFSF-UHFFFAOYSA-N 428.876 4.337 5 20 IIBD CCOC(=O)c1cc(C(=O)Oc2cccc(NC(=O)c3ccccc3)c2)cc([N+](=O)[O-])c1 916421931 QGTASSWLWFRWDO-UHFFFAOYSA-N 434.404 4.243 5 20 IIBD Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)OCCOc1ccccc1[N+](=O)[O-] 917273381 OLZQXBUIJAGLJI-UHFFFAOYSA-N 429.860 4.215 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2cc3c(C)cc(C)nc3s2)c([N+](=O)[O-])c1 917349371 DNKHLVWNRHONMM-UHFFFAOYSA-N 429.454 4.016 5 20 IIBD O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccco1 918400632 WCBUZJVETKWVRO-UHFFFAOYSA-N 439.808 4.033 5 20 IIBD CCCNC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1Cl 919856131 AIFIMVSQNOVYLL-UHFFFAOYSA-N 430.892 4.241 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O[C@H](C)C(=O)c1ccc(OC(F)F)cc1 920778477 SIZGARYDQRWEHQ-MNOVXSKESA-N 443.786 4.432 5 20 IIBD CS(=O)(=O)c1ccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1Cl 1115979096 DFHWLROOFQJJLO-UHFFFAOYSA-N 437.886 4.028 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC(=O)c1ccc(Br)s1 1320061799 NCULUBZTBPKHJJ-MRVPVSSYSA-N 448.678 4.266 5 20 IIBD CCOc1cc(NC(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c([N+](=O)[O-])cc1OCC 1328245557 SCYGGXCSMHDNQP-UHFFFAOYSA-N 442.472 4.471 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)CCc1cn(C)nc1C 1339111347 LGNHVQVBUVQBSM-UHFFFAOYSA-N 442.497 4.113 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)N1CCCN2CCC[C@@H]2C1 1341375145 BBHKVOVCAAGHQA-GOSISDBHSA-N 428.920 4.171 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3nc[nH]c3[N+](=O)[O-])cc2)CCC1)c1ccc(Cl)cc1 1788612612 XUKQXLLUMAZDKQ-UHFFFAOYSA-N 439.859 4.033 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C3(NC(=O)c4ccco4)CCC3)cc2)c1 1790054222 CBMLJBLZIYWGCG-UHFFFAOYSA-N 448.479 4.315 5 20 IIBD O=C(CCc1cccc(O)c1)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1 1791696530 UBSHDYKDMYAMCQ-UHFFFAOYSA-N 449.463 4.274 5 20 IIBD Cc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/C2CCCCC2)C3)cc1[N+](=O)[O-] 1800139172 DCZXLPUBNXALBV-IAMPMHKFSA-N 439.556 4.220 5 20 IIBD CC1(C)CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3ccc([N+](=O)[O-])o3)n[nH]2)C1 1814968832 GIJCBXSNVLOJTQ-JKNJVXJCSA-N 441.488 4.053 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=CCCC2)n[nH]1 1816703962 LJYLTBXJAWURPJ-SFHVURJKSA-N 441.463 4.182 5 20 IIBD O=C(c1ccccc1)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1824841493 JULFPRYYNOZRKC-DEOSSOPVSA-N 449.551 4.461 5 20 IIBD O=C(/C=C/c1cc2ccccc2o1)N1CC2(CCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 1845403188 OHFJGOIDYYCTCF-VOTSOKGWSA-N 449.438 4.011 5 20 IIBD Cc1oc(-c2ccccc2)nc1C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 9717886 SNYCFSWIQBVHMQ-LBPRGKRZSA-N 429.816 4.396 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1ccc(Br)cc1 10666186 HBZCYNMPSULQTJ-VIFPVBQESA-N 427.638 4.195 5 20 IIBD CC(=O)Nc1ccc(C(=O)O[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)cc1 10869999 LZBYWGKQVFFZJD-JOCHJYFZSA-N 447.447 4.398 5 20 IIBD Cc1ccc(CNC(=O)c2ccccc2NC(=O)CNc2cccc([N+](=O)[O-])c2C)cc1 15124476 AAJNBASBBBGNHA-UHFFFAOYSA-N 432.480 4.192 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Sc2nnc(C3CC3)n2-c2ccccc2)c([N+](=O)[O-])c1 16725392 HDUAXCBXVVOMKR-ZDUSSCGKSA-N 439.497 4.181 5 20 IIBD CCc1ccc(-c2noc(COC(=O)c3ccc(Br)c([N+](=O)[O-])c3)n2)cc1 17718759 AXNCDRYPUCAQIK-UHFFFAOYSA-N 432.230 4.327 5 20 IIBD Cn1c(SCC(=O)NCCCSc2ccccc2)nc2cc3ccccc3cc2c1=O 19417868 MPFMSXNKDUVINP-UHFFFAOYSA-N 449.601 4.477 5 20 IIBD CSc1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1 22183770 TVJPPMPNIJPQHF-SNVBAGLBSA-N 439.287 4.263 5 20 IIBD COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COc2cccc([N+](=O)[O-])c2)cc1 28942434 VTGFAKAZXMWATR-QHCPKHFHSA-N 431.448 4.360 5 20 IIBD COc1cc(-c2nnc(Sc3ccc(C(C)=O)cc3[N+](=O)[O-])o2)cc(OC)c1OC 32533626 WFQWQXGEWMWLFF-UHFFFAOYSA-N 431.426 4.024 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 60190445 HRRXEEZMHJRCRJ-MRXNPFEDSA-N 426.231 4.284 5 20 IIBD Cc1ccc(F)cc1NC(=O)c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 60487733 VSHMJPASXLABNL-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD CC(=O)N(c1ccc(C)c(C)c1)c1nc(Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)cs1 71857935 KKIWRRAOXLZMID-UHFFFAOYSA-N 449.492 4.111 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Oc2ccccc2C(F)(F)F)c1 97554245 DIXLLGVTRMMOKF-UHFFFAOYSA-N 426.166 4.144 5 20 IIBD CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C 108421685 JQEUAHLUFGWYCF-UHFFFAOYSA-N 434.283 4.453 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ncc(Cc2cccc(F)c2)s1 195543106 VPOLBIVJSSSROA-UHFFFAOYSA-N 427.866 4.235 5 20 IIBD CCCOc1ccc2c(c1)CCN(c1cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c1Cl)C2 301803749 XBJVZYFVUDJBQH-UHFFFAOYSA-N 440.887 4.146 5 20 IIBD Cc1ccc(-n2nc(C(C)C)cc2NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1 303839374 SFVVNBSJIGIQKW-UHFFFAOYSA-N 431.456 4.045 5 20 IIBD CCCn1c(SCCC(=O)Nc2ccccc2[N+](=O)[O-])nc2cc(Cl)ccc2c1=O 409877868 DKLGUPWHBSLBQI-UHFFFAOYSA-N 446.916 4.489 5 20 IIBD C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(-n2cccn2)c1 426030398 OEVCEEMDTRVASL-CYBMUJFWSA-N 433.390 4.360 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N(CCC(N)=O)Cc3ccccc3)c([N+](=O)[O-])c2)cc1 432053286 ONEKSNLLQFGLOD-UHFFFAOYSA-N 432.480 4.038 5 20 IIBD CC(C)(NC(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccccc1[N+](=O)[O-] 432696062 AWIVXBUXYJUBBU-UHFFFAOYSA-N 431.514 4.368 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC[C@H]([C@H](O)C(F)(F)F)C1 433789956 SCFSCEMYWXORQH-VFZGTOFNSA-N 434.212 4.045 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCC[C@H](c2nccs2)C1 436410235 MDERGFMYZGVQKY-LBPRGKRZSA-N 425.460 4.436 5 20 IIBD Cc1nc(NC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)ccc1[N+](=O)[O-] 440412964 WFKKBCPUOTYUJD-UHFFFAOYSA-N 425.445 4.458 5 20 IIBD O=C1C[C@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)CN1Cc1ccccc1 440608219 HYMZQJHBHGETDR-NRFANRHFSA-N 429.476 4.177 5 20 IIBD O=C(NCc1ncnn1-c1ccccc1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 440896366 RPPDJHQHUDDBMP-UHFFFAOYSA-N 431.477 4.257 5 20 IIBD COc1ccc(NC(C)=O)cc1N(C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(C)C 441603005 WZPNXAXHAVSNIS-ZDUSSCGKSA-N 449.891 4.424 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])c1cccc(OC(F)(F)F)c1 441789315 QKGGMLLXSZDRKW-ZDUSSCGKSA-N 439.390 4.139 5 20 IIBD O=C(N[C@@H]1CCN(c2ccccc2Cl)C1=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444005296 VUMDISSDYSXGEE-GOSISDBHSA-N 449.869 4.009 5 20 IIBD Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 447426922 GDMYQQLXFDQLEP-HNNXBMFYSA-N 429.782 4.305 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCc4cc(Cl)ccc4C3)n2C[C@@H]2CCOC2)c1 461361806 HYFFODOBUUHXDG-HNNXBMFYSA-N 439.903 4.106 5 20 IIBD Cc1[nH]c2ccc(Br)cc2c1CC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 461398377 LFBSAFBSSZVMRZ-UHFFFAOYSA-N 444.285 4.111 5 20 IIBD COc1cc(NC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)ccc1[N+](=O)[O-] 462804984 TVOZOGVRNVIIPK-SFHVURJKSA-N 425.407 4.108 5 20 IIBD O=C(Nc1nc2ccc(Br)cc2[nH]1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 464580533 KCIHUBOEDKARRG-UHFFFAOYSA-N 444.289 4.089 5 20 IIBD Cc1ccc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1NC(=O)c1ccco1 464636668 GZGRPEGYKSTQJP-UHFFFAOYSA-N 449.463 4.432 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC2(CCCCCC2)C1 464671060 OBMXWKMCKSNAGR-FQEVSTJZSA-N 447.601 4.409 5 20 IIBD O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1 470297056 KZGAIRJCQULTHB-UHFFFAOYSA-N 432.436 4.142 5 20 IIBD C[S@@](=O)C[C@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 472102620 USDDHYYDYYNXCS-JCOAXYOVSA-N 437.521 4.057 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C 472502787 QJMYTZHOIFLXNC-BZSNNMDCSA-N 427.570 4.348 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1 475641007 RUIDQMNHEWOASW-HNNXBMFYSA-N 441.406 4.083 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(OCc3ccccn3)c(F)c2)cc1C 476392116 XNNMSGNKYISLKE-UHFFFAOYSA-N 431.445 4.126 5 20 IIBD CC1(C)COCCN1CCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 476462143 PGACKKFTDILJPL-UHFFFAOYSA-N 449.960 4.240 5 20 IIBD CCCCc1nc(-c2cccc(Oc3ccc(S(=O)(=O)N(C)C)cc3[N+](=O)[O-])c2)no1 477180920 ULIIZKGISBFLMC-UHFFFAOYSA-N 446.485 4.030 5 20 IIBD O=C1N[C@@H](Cc2cccc3ccccc23)C(=O)N1Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 479200592 VFHJCYWTTAKNEK-IBGZPJMESA-N 443.381 4.430 5 20 IIBD Cc1ccc([C@H](C)N[C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)cc1[N+](=O)[O-] 479408368 NDEOTNUNVSGVSV-WDEREUQCSA-N 432.329 4.269 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnn(-c3ccc(Cl)cc3)c2)c(C(F)(F)F)c1 479557714 LXEVNIQWUJLSDO-UHFFFAOYSA-N 446.794 4.254 5 20 IIBD O=C(Nc1ccc(Cc2nnc3n2CCC3)cc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 481102203 GOKRZKLPGWBVBF-UHFFFAOYSA-N 446.492 4.099 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2)cc1SC 481951496 IPMRAIMLIJVDNV-UHFFFAOYSA-N 432.889 4.476 5 20 IIBD CCc1c(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)cnn1-c1ccccc1C 482708313 UWLUMNMXSODJEP-UHFFFAOYSA-N 431.452 4.217 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NC1(c2cccc(Cl)c2)CCCC1 483302998 KLAIRZDGOCYHFG-UHFFFAOYSA-N 436.295 4.217 5 20 IIBD CCOc1cc(Br)c(F)cc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 485145755 AUTGUFWXOHRMFZ-UHFFFAOYSA-N 449.236 4.333 5 20 IIBD C[C@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1cccc(NC(=O)c2ccccc2)c1 485219002 NLYRROIRZSZLSA-AWEZNQCLSA-N 433.420 4.067 5 20 IIBD CCOc1ccc([C@H]2CCCN2C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)cc1 486872605 IZNLOIRAWKYSNL-LJQANCHMSA-N 427.457 4.458 5 20 IIBD CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 488002508 YJLGWFWSEZTEGW-KDOFPFPSSA-N 449.960 4.286 5 20 IIBD O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1csc(-c2c(F)cccc2F)n1 490372632 WDMPLJDJBDYCOB-UHFFFAOYSA-N 428.380 4.034 5 20 IIBD Cc1c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3F)cc2)cccc1[N+](=O)[O-] 490789204 AEVYRHVAHMAKAC-UHFFFAOYSA-N 447.419 4.235 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(NC(=O)N2CCCC2)c1 492076443 YURVVKNLLAEPLS-UHFFFAOYSA-N 428.514 4.265 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 494674563 QIJFBDSVGIXXEF-UHFFFAOYSA-N 438.311 4.305 5 20 IIBD CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)Nc1ccc(C)c(C(F)(F)F)c1 495355954 YYIHFMWXVFSKLI-ZDUSSCGKSA-N 445.419 4.005 5 20 IIBD CC1CCN(C[C@@H]2CCCN(C(=O)Cn3c4ccccc4c(=O)c4ccccc43)C2)CC1 498505969 VIQLOGLUWRSHCK-NRFANRHFSA-N 431.580 4.125 5 20 IIBD CCN(CC)C(=O)CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 498948329 VTGAVRKLZPANOX-UHFFFAOYSA-N 429.439 4.114 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccccc2O[C@H](C)C(F)(F)F)cc1[N+](=O)[O-] 498966169 HVONOTDZDGWLKJ-QWHCGFSZSA-N 439.390 4.049 5 20 IIBD O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 501460232 AFEDDLDTYHIMNJ-CQSZACIVSA-N 426.473 4.114 5 20 IIBD COc1cccc(-n2nc(C)c([C@H]3COCCN3Cc3ccc([N+](=O)[O-])cc3F)c2C)c1 501690685 RKHUGFMDMHFLTA-JOCHJYFZSA-N 440.475 4.119 5 20 IIBD O=C(N[C@@H](COc1ccccc1)c1ccccc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 502326751 OSRXYJPETKPGHH-QHCPKHFHSA-N 428.448 4.331 5 20 IIBD Cc1nc(/C=C\c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)nc(O)c1CC(=O)O 504734315 YBFPCJUFSLZCMO-OQFOIZHKSA-N 425.372 4.128 5 20 IIBD NC(=O)N[C@@H](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cccc(Oc2ccccc2)c1 505052162 ZFPOCBNTQUJWRX-FQEVSTJZSA-N 445.435 4.389 5 20 IIBD COc1cc(CNC2(c3ccc(F)cc3)CCOCC2)c([N+](=O)[O-])cc1OCC(F)F 505611673 NKDHOPYNTAKUIN-UHFFFAOYSA-N 440.418 4.182 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OC(F)F)cc2F)c(C(F)(F)F)c1 509387112 MRHITIYJIZHABT-UHFFFAOYSA-N 430.282 4.155 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2cnco2)cc1 509535801 ATISLMXOLZYCMH-UHFFFAOYSA-N 449.204 4.415 5 20 IIBD O=C(Nc1ccc(C(=O)NC2CCCCC2)cc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 509583574 LCBYRQODYNWFCU-UHFFFAOYSA-N 433.468 4.095 5 20 IIBD COc1cc(CN2CC[C@H](n3ncc4ccccc43)C2)c([N+](=O)[O-])cc1OCC(F)F 510423410 FAAODIUXVGMTKW-INIZCTEOSA-N 432.427 4.044 5 20 IIBD O=C(N[C@H](C[C@H]1CCOC1)c1ccccc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 512290276 SPLKXRWXRIBEJA-RDTXWAMCSA-N 438.402 4.434 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)nn2-c2ccc(C(F)(F)F)cn2)c1 514680328 XGIZKYITIIJYNM-UHFFFAOYSA-N 435.362 4.154 5 20 IIBD C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1 515697034 LIGBIPBKQGWWGD-INIZCTEOSA-N 433.468 4.047 5 20 IIBD C[C@H](N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 515757811 PNOXVRJEVQQVQJ-OLZOCXBDSA-N 445.907 4.210 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H]2c2cccc(Br)c2)cc1SC 520347768 ULQQPSPINZBVMK-JSGCOSHPSA-N 437.315 4.374 5 20 IIBD CNc1ccc(C(=O)NCc2ccccc2-c2ccc(Cn3cccn3)cc2)cc1[N+](=O)[O-] 520537903 PFOLJULXSMHPKT-UHFFFAOYSA-N 441.491 4.478 5 20 IIBD CCOc1cc(NC(=O)N2CCO[C@](C)(c3ccccc3)C2)c([N+](=O)[O-])cc1OCC 532106303 QWRSPZBCLOLDTQ-QFIPXVFZSA-N 429.473 4.172 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnn1Cc1cnn(-c2ccccc2)c1 534001687 PZQVVFREAJPZDM-INIZCTEOSA-N 448.508 4.145 5 20 IIBD COc1ccccc1[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccn1 534840318 FWHZAQQCTXQEHL-XMMPIXPASA-N 446.507 4.121 5 20 IIBD Cc1nc(-c2ccc([C@@H](C)NCC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)cc2)cs1 538152935 KBZOOZRFXLKFHP-GFCCVEGCSA-N 440.481 4.045 5 20 IIBD CCOc1ccc(NC(=O)CN[C@H](CC(F)(F)F)c2ccc(F)cc2)c([N+](=O)[O-])c1 539274954 BQYMQQRZNNYEFV-MRXNPFEDSA-N 429.370 4.354 5 20 IIBD COc1ccc(-c2ccc(CN3CCC[C@@H](CNC(=O)C(C)(C)C)C3)o2)c([N+](=O)[O-])c1 539833093 IXRPYPZLFDQOQS-INIZCTEOSA-N 429.517 4.238 5 20 IIBD CCc1ccc([C@@H](NCCCN2C(=O)COc3ccccc32)c2ccc([N+](=O)[O-])cc2)o1 541566501 WKSIDMRFKJRZJI-DEOSSOPVSA-N 435.480 4.245 5 20 IIBD COC[C@H](N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccco1 541627250 PMKIKNKHFOWBBE-AZUAARDMSA-N 429.860 4.498 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1nc2ccc(OCC(F)(F)F)cc2s1 544813600 YIDMEVBRWARSQA-UHFFFAOYSA-N 447.416 4.088 5 20 IIBD CC(C)NC(=O)Nc1cccc(-c2noc(-c3cc(O)nc4ccc([N+](=O)[O-])cc34)n2)c1 545635445 XBIZBKWPDFGPCD-UHFFFAOYSA-N 434.412 4.096 5 20 IIBD O=[N+]([O-])c1ccc2nc(O)cc(-c3nc(-c4ccc(OC5CCOCC5)cc4)no3)c2c1 545789530 JWKNMVIOQPWNNO-UHFFFAOYSA-N 434.408 4.123 5 20 IIBD Cc1ccc(CNC(=O)c2cccc(-c3noc(COc4ccccc4[N+](=O)[O-])n3)c2)cc1 546269045 GZZCYJWFYSMBFD-UHFFFAOYSA-N 444.447 4.462 5 20 IIBD COCCC(C)(C)CNc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] 546758920 CDTGZMKIDSFMMC-UHFFFAOYSA-N 435.546 4.487 5 20 IIBD Cn1ccc([C@@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])c2ccc(Cl)cc2)n1 547285868 JOVXCXQSYISRTG-FQEVSTJZSA-N 425.876 4.075 5 20 IIBD CC(C)(C)[C@@H](NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(F)cc1 550828117 XHYBATUSMUMLIK-FQEVSTJZSA-N 427.476 4.129 5 20 IIBD CC(=O)c1cc(NCc2cccnc2Oc2cccc(S(C)(=O)=O)c2)ccc1[N+](=O)[O-] 553080608 RPAHXSIDHFNOEM-UHFFFAOYSA-N 441.465 4.000 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(c2ncnc3sc([N+](=O)[O-])cc23)CC1 553172535 SHOYFYOXLNEPHS-UHFFFAOYSA-N 431.543 4.182 5 20 IIBD Cc1nc([C@H](C)NC(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)n[nH]1 553293449 PNAACOUWGQPUOO-RERGGYADSA-N 448.508 4.439 5 20 IIBD CC(=O)N(c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@H]1C[C@H]1C 554660768 OLNOMQNTDJDCIR-VBHSOAQHSA-N 431.876 4.416 5 20 IIBD Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1 554671175 NNNZWSKPGLPLLZ-PMACEKPBSA-N 443.931 4.010 5 20 IIBD O=c1c(Cl)c(N[C@H]2CCCOc3ccc(F)cc32)cnn1-c1ccc([N+](=O)[O-])cc1 555204376 ONSRFMGEJVQLHB-INIZCTEOSA-N 430.823 4.259 5 20 IIBD CN1C(=O)CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)[C@@H]1c1ccccc1 558369938 AFTXXSRVQDRFRU-JOCHJYFZSA-N 432.436 4.392 5 20 IIBD COc1cc(Oc2ccccc2)ccc1NC(=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 559034444 MTCNFFMRRBYMFN-UHFFFAOYSA-N 449.463 4.035 5 20 IIBD Cc1ccc(CN2CC[C@H](CN(C)C(=O)CCCNc3ccc([N+](=O)[O-])cc3)C2)s1 570544266 SEPIPIGWMOCSAF-GOSISDBHSA-N 430.574 4.137 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCO[C@H](c2ccc(F)cc2F)C1 576686135 CUGLUTNBWGLRTI-KRWDZBQOSA-N 445.344 4.175 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC[C@](CO)(C(C)C)C3)cc2[N+](=O)[O-])n1 579751922 YZNXMYDSTPEZTI-FQEVSTJZSA-N 435.571 4.382 5 20 IIBD COc1cc(C(=O)N2CCc3cc(Cl)ccc32)c([N+](=O)[O-])cc1OCc1cscn1 581743030 BPDLEWWEOOFQLH-UHFFFAOYSA-N 445.884 4.495 5 20 IIBD CCOC(=O)c1c(F)cccc1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 585746925 UWJRPGCKYJJJAG-UHFFFAOYSA-N 425.210 4.234 5 20 IIBD COc1cc(CNC2(Cc3ccc(F)cc3Cl)CCOCC2)c([N+](=O)[O-])cc1F 590202862 IILGSDLIMCYIHB-UHFFFAOYSA-N 426.847 4.417 5 20 IIBD O=C(NCCc1ccc(F)cc1)[C@@H]1Cc2ccccc2CN1Cc1cccc([N+](=O)[O-])c1 603682873 KYMAXIIHOQWHAJ-DEOSSOPVSA-N 433.483 4.020 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCc3cc(OC(F)(F)F)ccc32)c(Cl)c1 603975162 LJJPBIUGTKNEQI-UHFFFAOYSA-N 436.795 4.288 5 20 IIBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1cccc(-c2ccc3ccccc3c2)n1 608867510 WHUCAMSXNAXGIG-UHFFFAOYSA-N 426.432 4.179 5 20 IIBD O=C(CSc1nnc(Cc2c(F)cccc2Cl)o1)N1CCc2ccc([N+](=O)[O-])cc21 608929448 AEZOISMWMHQBMJ-UHFFFAOYSA-N 448.863 4.043 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)C(F)(F)F)cc2)cc1[N+](=O)[O-] 609231806 ONIXVKCJLTUGIY-UHFFFAOYSA-N 426.319 4.058 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N(C)Cc2scnc2C)c([N+](=O)[O-])c1 609416922 HSRFMYNSPZFIRV-UHFFFAOYSA-N 425.466 4.014 5 20 IIBD C[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])Sc1ccc(Br)cc1 609463464 KLJOBVLHOUZOTA-GFCCVEGCSA-N 425.304 4.033 5 20 IIBD CCc1c(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)cnn1C 609791666 KPKQNNQACNFQTK-UHFFFAOYSA-N 432.839 4.406 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1 609792340 CSEQIWWLKRDTSN-UHFFFAOYSA-N 445.884 4.230 5 20 IIBD Cc1nc(-c2cccc(NC(=O)C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)c2)cs1 610103672 TVSRQQPPJHZBAR-UHFFFAOYSA-N 438.509 4.104 5 20 IIBD O=C(c1ccccc1)c1ccc(N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c([N+](=O)[O-])c1 610116469 AZDLZNQKBUBQSN-PKTZIBPZSA-N 445.519 4.121 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O 610661402 SYAPFXKMXRBYSI-HNNXBMFYSA-N 436.390 4.157 5 20 IIBD CCc1nnc(O)c(CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)c1CC 611212607 FFODAZHVUKARRT-UHFFFAOYSA-N 430.530 4.180 5 20 IIBD O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@@H](c2ccccc2Br)C1 725729615 XFDVWBBETBBIQR-MRXNPFEDSA-N 425.666 4.224 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] 725946302 QWTUIVGTISUDEM-GHMZBOCLSA-N 441.267 4.333 5 20 IIBD O=C(Nc1cc(Br)ccc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1 727321273 IWUMANNGXHDKGZ-UHFFFAOYSA-N 440.681 4.100 5 20 IIBD COc1ccc(CC(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)cc1[N+](=O)[O-] 727663915 WDGIGBQVXFGICX-UHFFFAOYSA-N 433.464 4.023 5 20 IIBD CN(C(=O)COC(=O)CCc1cccc(OC2CCCC2)c1)c1ccc([N+](=O)[O-])cc1 727891562 WIKNGDIJEDAAMT-UHFFFAOYSA-N 426.469 4.055 5 20 IIBD O=C(Cc1ccc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1)Nc1ccccc1F 728005103 HWSNDXVKMYTWQY-UHFFFAOYSA-N 429.354 4.446 5 20 IIBD CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 728282851 BUSTWYAHZHNQNF-UHFFFAOYSA-N 435.864 4.404 5 20 IIBD O=C(NS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H](Sc1ccc(F)cc1)c1ccccc1 730394550 YFLLSBYSELXKSW-IBGZPJMESA-N 446.481 4.072 5 20 IIBD CSc1ccsc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 730490188 LWOVQIYZTYPITB-UHFFFAOYSA-N 431.461 4.359 5 20 IIBD CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2cccc(F)c2F)NC(=O)N1CC1CC1 730767047 WWLWXORSPTZDLV-HXUWFJFHSA-N 442.422 4.262 5 20 IIBD O=C(NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1C[C@H]1c1ccc2ccccc2c1 731285729 JIOXLIDRHBONEI-IRXDYDNUSA-N 430.869 4.010 5 20 IIBD CN(C(=O)c1cccc(OC2CCCC2)c1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 731287681 IFNHKFGKOFRFEV-UHFFFAOYSA-N 438.889 4.031 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1ccc2c(ccn2CC(C)C)c1 731619015 HUQUYCKAJHJPON-UHFFFAOYSA-N 425.441 4.044 5 20 IIBD COc1cccc(NC(=O)c2ccccc2NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c1 743608973 VJALCZVVRGBUMM-UHFFFAOYSA-N 444.447 4.449 5 20 IIBD CS(=O)(=O)c1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)ccc1Cl 743789540 NNAWYVMBZVYYRT-UHFFFAOYSA-N 444.896 4.499 5 20 IIBD Cc1ccc(F)c(NC(=S)/C(=C(/O)c2ccc([N+](=O)[O-])cc2)[n+]2cccc(CO)c2)c1 744116818 QKSXVJDRPYNWMK-UHFFFAOYSA-O 440.476 4.145 5 20 IIBD CS(=O)(=O)c1cccc([C@@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c2ccccc2)c1 744375757 QSQHIWKPMQSPAU-FQEVSTJZSA-N 444.896 4.171 5 20 IIBD CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)OCc1cc(Cl)ccc1[N+](=O)[O-] 746074502 DJWBXRQHESEPKQ-VLIAUNLRSA-N 430.888 4.291 5 20 IIBD CCOC(=O)c1nc(-c2ccccc2)oc1COC(=O)c1cccc(Cl)c1[N+](=O)[O-] 750539300 BDAOEZZYCPDUEI-UHFFFAOYSA-N 430.800 4.437 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccccc1)C[C@@H](O)c1ccco1 752769887 UOIXXUQZHJOVAW-OXQOHEQNSA-N 426.494 4.431 5 20 IIBD CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 755514953 HZWLGKUCOJFPQW-AWEZNQCLSA-N 433.892 4.034 5 20 IIBD Cc1nc(C(=O)OCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(-c2ccccc2)s1 755629394 JOKMXTDPUWMIBX-UHFFFAOYSA-N 445.884 4.267 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1SC 755873537 VUOJDPIOVKTUJY-RDJZCZTQSA-N 430.526 4.393 5 20 IIBD C[C@@H](OC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 756750235 MJGQAPLJQKKOBT-PSLIRLAXSA-N 438.223 4.289 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC(OCCc2ccccc2)CC1 758156184 YTUNZURJVMBCCN-UHFFFAOYSA-N 433.302 4.221 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2c(C)nn(CC(C)C)c2Cl)cc1[N+](=O)[O-] 759806416 UPJWLNBPMOYZKQ-INIZCTEOSA-N 440.953 4.243 5 20 IIBD C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 759843706 COYIVKUTEFCQGH-NSHDSACASA-N 439.251 4.292 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@@H](C)Sc1nc2ccccc2s1 762911000 UWMGFLVERKEYNG-GFCCVEGCSA-N 431.495 4.175 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCSC2(CCCCC2)C1 763003146 SGAMIOKHSIPGEX-UHFFFAOYSA-N 438.571 4.142 5 20 IIBD O=[N+]([O-])c1ccc(CN(C2CC2)S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 763435994 RUXUFDWEXCNNMG-UHFFFAOYSA-N 446.268 4.163 5 20 IIBD C[C@H](OC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1)c1ccccc1[N+](=O)[O-] 764588452 PYZGWICFDHAZEF-SCLBCKFNSA-N 447.285 4.266 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)[C@@H](C)c2ccc(Br)cc2)cccc1[N+](=O)[O-] 766996733 MUQCCVMBCVEACM-AAEUAGOBSA-N 435.274 4.340 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2ccc(SC(F)(F)F)cc2)CC1 768878757 QQVSUDXPJNMPOT-UHFFFAOYSA-N 431.461 4.226 5 20 IIBD Cc1cc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)ccc1NC(=O)OC(C)(C)C 772288315 TZIVUBUZMWCFTA-UHFFFAOYSA-N 444.440 4.474 5 20 IIBD COc1ccc(COC(=O)CCCC(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 773577789 BPGWYDATYRVLGI-UHFFFAOYSA-N 436.258 4.462 5 20 IIBD COc1ccc(C(=O)Nc2ccc(C(=O)N3CCc4cc(C)c([N+](=O)[O-])cc43)s2)cc1 773996273 KYCAACQNHQKAGD-UHFFFAOYSA-N 437.477 4.429 5 20 IIBD CC[C@H](C)NC(=S)/C(=C(/O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1c(C)ccc(O)c1Cl 777514129 IZZLBTOOZRJNNZ-LBPRGKRZSA-O 436.941 4.457 5 20 IIBD Cc1ccccc1CN(Cc1cccnc1)C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781613889 HDBNNEVHLSKOEN-UHFFFAOYSA-N 434.452 4.368 5 20 IIBD CCc1nnc([C@H](C)OC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)o1 781912863 WNAUZHWTKRFPLN-LBPRGKRZSA-N 441.465 4.411 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cc(Br)cc(Cl)c1O 782029558 VAZGPKJLGFMYGQ-UHFFFAOYSA-N 444.625 4.196 5 20 IIBD Cc1c(C)n(C[C@@H]2CCCO2)c2ncnc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])c12 782574256 DLVBSKZXKZYPPI-AWEZNQCLSA-N 429.864 4.041 5 20 IIBD CCOC(=O)COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc1 784623876 PSQRWSLUINKDJG-UHFFFAOYSA-N 441.484 4.025 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCCCC[C@H]1C[C@@H](O)c1ccccc1 785218544 FLQIGBLZIVNBCP-FXAWDEMLSA-N 445.903 4.082 5 20 IIBD CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 785382274 XCHVKODCRKFOQO-LJQANCHMSA-N 433.386 4.194 5 20 IIBD Cc1cc(C(=O)O[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)c(C)nn1 786024274 KMCOXGDCIFQHJI-LJQANCHMSA-N 440.843 4.192 5 20 IIBD Cc1cccc(C)c1NC(=O)CCCOC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 786784225 CGKOTFGYZNXCSP-UHFFFAOYSA-N 437.452 4.101 5 20 IIBD COc1ccccc1[C@H](CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCCCC1 790554583 JBWHFXRLGBNRHB-FQEVSTJZSA-N 449.910 4.282 5 20 IIBD C[C@@H](C(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F 794036737 FEUKVWZRKIDUCG-SJLPKXTDSA-N 443.475 4.002 5 20 IIBD CN(C[C@H]1CCCO[C@@H]1c1ccccc1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F 795811197 IPIUWMZNEUTCRX-AUUYWEPGSA-N 442.896 4.176 5 20 IIBD CC(C)(C(=O)OC1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccccc1[N+](=O)[O-] 797168835 HPWWMOYNIKSYOD-UHFFFAOYSA-N 430.888 4.374 5 20 IIBD COc1cc(COC(=O)c2c(OC)cnc3ccccc23)c([N+](=O)[O-])cc1OC(F)F 801902668 LLEWOOQQJHDGQJ-UHFFFAOYSA-N 434.351 4.119 5 20 IIBD CC[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC[C@H]1NC(=O)OC(C)(C)C 809916392 IQNKSXRZBUENLR-QWHCGFSZSA-N 426.901 4.405 5 20 IIBD CC(C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 810389176 APXOVLLCOBVUPU-OLZOCXBDSA-N 426.311 4.017 5 20 IIBD CC[C@H]1[C@H](C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1C(=O)OC(C)(C)C 810589201 DTUOTXOROJFKRK-MSOLQXFVSA-N 445.472 4.329 5 20 IIBD Cc1cccc2c(=O)n(CCC(=O)OCc3cc(Cl)cc(Cl)c3[N+](=O)[O-])cnc12 811044780 SJLIHBOTHDWXMP-UHFFFAOYSA-N 436.251 4.053 5 20 IIBD COCCCn1c(C)cc(C(=O)COC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1C 811373857 QVZHZFIANYNJCW-UHFFFAOYSA-N 443.283 4.396 5 20 IIBD COc1ccc([C@H](O)C2CCN(C(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)CC2)cc1 812642078 UGEXFPYOSPUUNB-VFNWGFHPSA-N 430.526 4.056 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)CC2)C1 814340326 CXLFLQBAQSIGEH-UHFFFAOYSA-N 444.532 4.032 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CC[C@@H]21 816998035 DUKMFKTVOWBNPK-VGSWGCGISA-N 447.535 4.153 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC[C@H]21 817000461 NGNLBFUGCGLZRG-CZUORRHYSA-N 431.514 4.281 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(=O)N[C@H](C)c1ccc(F)cc1 823274387 FTLGXMXVSRWPEL-HZPDHXFCSA-N 443.475 4.147 5 20 IIBD CC1CCN(c2ccc(-c3nc(-c4cn(Cc5ccccc5)nn4)no3)cc2[N+](=O)[O-])CC1 904769358 FXFCRTIUQMHXCA-UHFFFAOYSA-N 445.483 4.188 5 20 IIBD O=C(OCc1nc(-c2ccc(F)cc2)no1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 917261035 UWLNUGSFIZGUJA-UHFFFAOYSA-N 441.293 4.082 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](Cn1cncn1)c1ccc(Cl)cc1 917401827 MBVBHLGBVYJWPU-UGSOOPFHSA-N 432.889 4.305 5 20 IIBD Cc1c(C(=O)O[C@@H](C(=O)Nc2ccccc2Cl)C(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] 919227403 PVTZAZHHRDEFQI-QGZVFWFLSA-N 435.820 4.285 5 20 IIBD CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 919874508 YUIPWPSKWHMCGI-UHFFFAOYSA-N 449.511 4.191 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCC(O)(Cc2ccccc2F)CC1 1256091754 SMEYLTLPWLQLMH-UHFFFAOYSA-N 441.381 4.354 5 20 IIBD O=C(Nc1ccc2nc(CN3CCCCC3)[nH]c2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 1318229998 PLZJRQKYFMRASD-UHFFFAOYSA-N 448.527 4.310 5 20 IIBD C[C@@H](C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)c1ccc(F)cc1F 1323067578 DWYQJJCNTMCWQH-SNVBAGLBSA-N 425.229 4.324 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 1323520842 JTFPPRJJXWZRGF-OAQYLSRUSA-N 433.512 4.101 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(-c3cc4c(s3)CCC4)o2)c(I)c1 1346614126 MNWHMIWVWNOSAE-UHFFFAOYSA-N 439.234 4.467 5 20 IIBD Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1 1785748670 YCNVTLWZYZZZLX-UHFFFAOYSA-N 449.463 4.323 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@H]3C[C@@H]3C3CC3)cc2)CCC1)c1cc(O)cc([N+](=O)[O-])c1 1786057560 VRYGALADFQMOHU-RTWAWAEBSA-N 435.480 4.094 5 20 IIBD Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)[C@H]4CCC=CO4)CCC3)cc2)cc1[N+](=O)[O-] 1790523882 AFBZSIYIPSPSRC-JOCHJYFZSA-N 449.507 4.273 5 20 IIBD C[C@@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc([N+](=O)[O-])o1)c1ccccc1 1793276364 SJIPEBZHZWZDCP-MCUJJKJNSA-N 437.496 4.033 5 20 IIBD CC[C@H](C)[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccccc1 1799478001 PHUMEFQEJPVQBG-LJDWRWTJSA-N 438.528 4.005 5 20 IIBD CC/C=C(\C)C(=O)N1CCC2(CCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)CC1 1806496091 WTCBBVAHYJMQNX-KPSZGOFPSA-N 427.545 4.115 5 20 IIBD COc1ccc(Cl)cc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9458991 YTUPCWMAFYBFCK-SECBINFHSA-N 446.765 4.460 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)Nc2ccccc2Cl)CC1 9720001 ZLZHCHTUJMTDMY-UHFFFAOYSA-N 431.876 4.280 5 20 IIBD C[C@H](c1nc2ccccc2s1)N(C)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 15094735 CDBYNQVHAHWLSV-CYBMUJFWSA-N 440.481 4.112 5 20 IIBD COc1ccc(NC(=O)[C@H](OC(=O)c2cc([N+](=O)[O-])ccc2OC)c2ccccc2)cc1 16128873 MDMZYGOJNDSTTI-OAQYLSRUSA-N 436.420 4.149 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2c(Cl)cccc2Cl)cc1OC 18969040 OXDUYUDDSXWMPG-UHFFFAOYSA-N 443.239 4.104 5 20 IIBD Cc1cc(C)c(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c(Cl)c1 20867110 BHHUJGWWIPARQC-UHFFFAOYSA-N 431.876 4.261 5 20 IIBD CN(CCOc1ccc(Br)cc1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 20930803 NOUWQRLZIHRIJN-UHFFFAOYSA-N 448.317 4.109 5 20 IIBD C[C@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)Nc1c(F)c(F)c(F)c(F)c1F 22794666 WBBBOBWAYXYVOL-YFKPBYRVSA-N 438.692 4.128 5 20 IIBD COc1cc(COC(=O)c2cc(SC)ccc2[N+](=O)[O-])c([N+](=O)[O-])cc1OC(F)F 26007919 BIPUAXFXIGPKHE-UHFFFAOYSA-N 444.368 4.192 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nnc(-c2cccs2)n1C1CC1 26410982 IEXYUJDWFCAKBR-UHFFFAOYSA-N 445.526 4.379 5 20 IIBD CC(C)Cn1nnnc1S[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 29593732 GLIQMEMYWJZVNY-QGZVFWFLSA-N 446.920 4.363 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 33158314 MXKLQLHGQQDMBH-UHFFFAOYSA-N 434.452 4.094 5 20 IIBD COc1ccc(C(NC(=O)COc2ccc([N+](=O)[O-])cc2F)c2ccc(OC)cc2)cc1 59012022 FTOITEFIOGZAIV-UHFFFAOYSA-N 440.427 4.036 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H]3CCN4CCCC[C@@H]34)c([N+](=O)[O-])c2)c(C)c1 301085657 JDQICIUHFADCIN-RTWAWAEBSA-N 444.557 4.051 5 20 IIBD CC(C)(C)c1cc(N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)nc(C(C)(C)C)n1 301730057 OMBRAIGXIGOCLE-UHFFFAOYSA-N 431.562 4.004 5 20 IIBD C[C@H]1SCCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)[C@@H]1C 303684241 JYEKSAXYAYLCFV-CHWSQXEVSA-N 431.480 4.182 5 20 IIBD COc1ccc(-c2ccc(C(=O)N3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)c(F)c2)cc1 303823001 YBYJZCRNPJMMRZ-QGZVFWFLSA-N 436.443 4.131 5 20 IIBD O=C(O)[C@H](Cc1ccc(F)cc1)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 426747406 OZCAZTMJIGKJJN-IBGZPJMESA-N 428.391 4.451 5 20 IIBD COc1cccc([C@@H](CC(=O)O)NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1OC 426812022 PLKBIZAMQUAYSR-GOSISDBHSA-N 426.425 4.178 5 20 IIBD C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1CCC(=O)Nc1ccccc1[N+](=O)[O-] 428796005 ZQSFLANSMGQSHA-KUHUBIRLSA-N 437.418 4.404 5 20 IIBD O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 429167121 YFDAILQTSNHPAW-LADGPHEKSA-N 441.503 4.182 5 20 IIBD O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 429193817 WOHGVOSUXADDDK-ISKFKSNPSA-N 441.503 4.182 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc(Br)cc1[N+](=O)[O-] 430306080 SGBZNAXDAINLFN-UMVBOHGHSA-N 438.322 4.079 5 20 IIBD CN(C)[C@@H]1CCCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 430385473 IWIDKFVCKYVQBG-OAHLLOKOSA-N 444.919 4.057 5 20 IIBD Cc1cc(OCC(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@@H](C)C2)ccc1[N+](=O)[O-] 430418399 ZHEPIYUQPSZMQI-HZPDHXFCSA-N 425.485 4.039 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCN1Cc1ccccc1 430664137 IDHAEGPDFBCEPX-APWZRJJASA-N 431.920 4.186 5 20 IIBD CCOc1cc(CS(=O)(=O)Cc2coc(-c3ccc(F)c(F)c3)n2)ccc1[N+](=O)[O-] 434640385 KJYHZAMTYWQALO-UHFFFAOYSA-N 438.408 4.042 5 20 IIBD CC(C)c1[nH]nc(C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)c1[N+](=O)[O-] 436000811 AOFXQDVZRWLAEH-XYPYZODXSA-N 425.258 4.019 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)cc([N+](=O)[O-])c1 436174996 XQJMEXKMIPBMNH-UHFFFAOYSA-N 434.452 4.224 5 20 IIBD O=C(CCC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCSc2ccccc21 437094762 JFRAYFOSEDKQNF-UHFFFAOYSA-N 425.510 4.005 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N(CCc1ccccn1)Cc1ccncc1 438085134 AEGLBZGLBWNRJU-UHFFFAOYSA-N 442.928 4.402 5 20 IIBD CN(C)c1nnc(-c2ccc(NC(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])cc2)o1 439259089 ONFXXGVJQVRZQM-UHFFFAOYSA-N 430.424 4.025 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 439288659 XLIXPLBPEQGXSZ-UHFFFAOYSA-N 429.542 4.051 5 20 IIBD CC(C)c1ccc(C(=O)N2CCN([C@@H](C)c3nc(-c4ccccc4)no3)CC2)cc1[N+](=O)[O-] 439463760 PJSFZOCYAPMYDS-KRWDZBQOSA-N 449.511 4.287 5 20 IIBD CCN(C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccc(Cl)c(F)c1 441412740 JIMRVDYOXBOHBV-UHFFFAOYSA-N 435.868 4.334 5 20 IIBD CCn1c(S[C@H](C)c2ccc(S(C)(=O)=O)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 442900445 PQXYDUFSRNPTNS-CYBMUJFWSA-N 432.527 4.130 5 20 IIBD C[C@@H](NC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1cccc([N+](=O)[O-])c1 443581407 LXAHMGGEBYXMAU-VGOFRKELSA-N 432.480 4.205 5 20 IIBD COC(=O)c1cc(-c2csc(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)n2)c[nH]1 444000722 FJCHHYZDTFSLKG-UHFFFAOYSA-N 444.472 4.172 5 20 IIBD C[C@@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 444850611 PRFIQQJPRPPOBR-SECBINFHSA-N 438.303 4.258 5 20 IIBD COc1ccc(NC(=O)CN[C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 445997387 XEHKOOGYYRWNFM-IAGOWNOFSA-N 437.418 4.487 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2ccccc2Sc2ccccc2)CC1 460188573 ATXYJHIIEXWHFR-UHFFFAOYSA-N 447.516 4.344 5 20 IIBD O=[N+]([O-])c1ccc(NCc2ccc(COC3CCOCC3)cc2)nc1OCc1ccccc1 462504724 SNZQSTNDKUMBNF-UHFFFAOYSA-N 449.507 4.877 5 20 IIBD C[C@H](NC(=O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1cccc2ccccc12 464786197 WIEGYRIVGZLFIM-SFHVURJKSA-N 433.508 4.469 5 20 IIBD COc1ccc(CC[C@H](C)NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 465805525 CJLGAAZOWCOSOJ-KRWDZBQOSA-N 427.501 4.178 5 20 IIBD NC(=O)c1ccccc1Oc1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 467315876 STGDFZQKPYKYPW-UHFFFAOYSA-N 432.436 4.313 5 20 IIBD Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C 468164383 NDKZWWTXHYKMSU-INIZCTEOSA-N 434.500 4.423 5 20 IIBD C[C@@H](CC[S@@](C)=O)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 469328879 JFSCYVULULDOPO-BIXPNRAVSA-N 426.947 4.286 5 20 IIBD Cc1cc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)nn1-c1c(F)cccc1F 469395929 QVKHPVMEFYODGC-FQEVSTJZSA-N 430.436 4.255 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F 470151998 PHLBVIKFLMOPGE-UHFFFAOYSA-N 426.326 4.219 5 20 IIBD COC(=O)[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccc(OC)c(Cl)c1 472247269 DEKVDBHDVVOENK-QGZVFWFLSA-N 434.857 4.116 5 20 IIBD O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 472274766 KFEGLTDFSVAYMW-OAQYLSRUSA-N 433.855 4.348 5 20 IIBD CC[C@@H](NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)[C@@H]1CN(Cc2ccccc2)CCO1 473816845 IPYMVMSAOYRSRC-CTNGQTDRSA-N 426.517 4.013 5 20 IIBD COCc1cc([N+](=O)[O-])ccc1NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 474147208 NBFNKGJZMDPZHA-HXUWFJFHSA-N 439.434 4.245 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCCC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)cc1 474344534 AZJOCCUMKGCBOK-HXUWFJFHSA-N 444.488 4.181 5 20 IIBD Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1 475555819 YOGALASMFSKWFU-SFHVURJKSA-N 437.525 4.469 5 20 IIBD Cc1ccc(NCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)cc1N1C(=O)CNC1=O 475570262 DYXOKOISVWKYJB-UHFFFAOYSA-N 445.479 4.339 5 20 IIBD COC(=O)c1csc(-c2cccc(CNC(=O)Nc3cc([N+](=O)[O-])ccc3C)c2)n1 479223894 JTZXFFZLZLDTAL-UHFFFAOYSA-N 426.454 4.135 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 481065552 YALJTESFVRDXQH-MRXNPFEDSA-N 443.479 4.416 5 20 IIBD O=C(Nc1nc2cc(F)c(Br)cc2s1)c1n[nH]c2ccc([N+](=O)[O-])cc12 481285021 KSUVKCYEHOQARI-UHFFFAOYSA-N 436.222 4.235 5 20 IIBD Cc1c(CNC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] 481471735 AIQZZMAIWNMQAB-PXNSSMCTSA-N 449.429 4.148 5 20 IIBD Cc1ccc(CN2CC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3SCC(C)C)C2=O)cc1 483097338 ANDSTHBIRKISRH-FQEVSTJZSA-N 441.553 4.182 5 20 IIBD CCOC(=O)c1sc(NC(=O)Cc2ccccc2[N+](=O)[O-])c(C(=O)OC(C)(C)C)c1C 483397146 FTMXFRCHCHVCDO-UHFFFAOYSA-N 448.497 4.278 5 20 IIBD Cc1cc(C(=O)N(CC(=O)Nc2ccc(Cl)cc2)Cc2cccnc2)cc([N+](=O)[O-])c1 486148729 TYBQJQHXTUPMMR-UHFFFAOYSA-N 438.871 4.233 5 20 IIBD CSc1cccc(C(=O)N(CCCOc2ccccc2)C2CCOCC2)c1[N+](=O)[O-] 486581274 MKSKBIKFQROAHQ-UHFFFAOYSA-N 430.526 4.407 5 20 IIBD COC(=O)c1cc(NC(=O)Nc2ccc(F)cc2OCC(F)F)c(C)c([N+](=O)[O-])c1 486859820 PXFBQMPAUYVGEP-UHFFFAOYSA-N 427.335 4.117 5 20 IIBD COC(=O)c1cc(NC(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(C)c([N+](=O)[O-])c1 486894341 DZKDMFOYJVGRGX-FXAWDEMLSA-N 445.447 4.213 5 20 IIBD COC(=O)c1cc(C)nc(N2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)c1[N+](=O)[O-] 488480318 PIIACVYWMLUTCU-MLGOLLRUSA-N 439.390 4.070 5 20 IIBD CCCc1c(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cnn1-c1cccc(C)c1 489089935 SPMNIYPQBQTVPO-UHFFFAOYSA-N 437.504 4.107 5 20 IIBD C[C@H]1CCCN(Cc2csc(NC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)n2)C1 489563459 NCAJDTJYJSAKFT-HNNXBMFYSA-N 429.546 4.480 5 20 IIBD CCCn1c2ccccc2c2nnc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc21 495455763 RRHMFTIZCWXXHV-ZDUSSCGKSA-N 436.497 4.417 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O 495774658 LWPOPIUPVYGQHR-UHFFFAOYSA-N 440.506 4.350 5 20 IIBD CC(C)c1ccc([C@H]2CCCCN2C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 497475075 WJCMJPDXFVWZCH-JOCHJYFZSA-N 438.528 4.271 5 20 IIBD Cc1c(COc2ccccc2)cccc1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] 499269605 VRDSTMOFWGXKFI-UHFFFAOYSA-N 426.494 4.467 5 20 IIBD Cc1onc(-c2cccc(Br)c2)c1C(=O)NCCc1ccc([N+](=O)[O-])cc1 503435288 AYAFNRXKNOTFBV-UHFFFAOYSA-N 430.258 4.293 5 20 IIBD CCC[C@H](NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)c1nnc2ccccn12 504758177 YOQCRIYDUASRHM-AEFFLSMTSA-N 436.516 4.145 5 20 IIBD COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)COc3cccc([N+](=O)[O-])c3)s2)cc1 505145372 DCFVTERMHNKVTQ-CYBMUJFWSA-N 427.482 4.292 5 20 IIBD O=C(Cc1ccc(Br)c(F)c1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 507524358 CATUBAHPRSMQJU-KRWDZBQOSA-N 425.279 4.313 5 20 IIBD CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1nc2ccc([N+](=O)[O-])cc2[nH]1 510272415 SCSJQRQAIJYACT-UHFFFAOYSA-N 441.797 4.214 5 20 IIBD COc1cc(C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)ccc1[N+](=O)[O-] 511818463 VUPVWQGAHRNHDK-AWEZNQCLSA-N 437.427 4.486 5 20 IIBD O=C(NCc1ccsc1Br)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 512013297 ZWBRWIPXTMTGOJ-UHFFFAOYSA-N 439.209 4.290 5 20 IIBD CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 514961334 XWIKIIDPISWJPB-UHFFFAOYSA-N 439.859 4.431 5 20 IIBD CCCNC(=O)c1cccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c1 515420593 UOGKFKJFPDCTBQ-IRXDYDNUSA-N 438.528 4.469 5 20 IIBD COc1cc([C@@H](C)NC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)ccc1OCCC(C)C 516039285 AZJALTCVOCKOGD-MRXNPFEDSA-N 443.500 4.153 5 20 IIBD Cc1ccc(NC(=O)C(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)cc1[N+](=O)[O-] 516455808 REOFFEDBOBKKKM-GOSISDBHSA-N 446.301 4.262 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 516501658 KZMRFDGJPCGLBX-AWEZNQCLSA-N 440.475 4.430 5 20 IIBD C[C@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 517836826 KLUBUXDBRZUQRJ-VOJFVSQTSA-N 437.315 4.335 5 20 IIBD CN(C)[C@H](CN[C@@H](c1cccc([N+](=O)[O-])c1)c1nccn1C)c1cccc(C(F)(F)F)c1 519197292 CSSWMPLQPIMUSD-UXHICEINSA-N 447.461 4.329 5 20 IIBD Cc1sc(NC(=O)CCn2cc([N+](=O)[O-])nc2C)nc1-c1ccc(OC(F)F)cc1 519980774 KZKYAQVPJWSVCV-UHFFFAOYSA-N 437.428 4.162 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)c1nc(-c2ccncc2)cs1 521134739 HEDVOHPOMXQNHB-RYUDHWBXSA-N 432.889 4.411 5 20 IIBD CCCN(C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-])[C@H]1CCc2ccccc21 521893373 JJMSOJOLGGWCHY-IBGZPJMESA-N 427.501 4.264 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 522646911 LLABVLJBMCJGJG-SFHVURJKSA-N 443.258 4.410 5 20 IIBD O=C(NCc1ccc(O)nc1)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 522929429 VHYDGLAHYOVIDL-UHFFFAOYSA-N 438.490 4.386 5 20 IIBD CC(C)COc1ccc(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cn1 523975874 YBEYWWVQDZEHHR-LBPRGKRZSA-N 426.395 4.483 5 20 IIBD O=C(N[C@@H](Cc1ccccc1)c1ccccc1F)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 524850080 PZIFJEXRBHCKFC-NRFANRHFSA-N 431.427 4.028 5 20 IIBD COc1cc(CN[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 525708747 WTIIVDQOTWUASO-PMOQBDJRSA-N 426.513 4.476 5 20 IIBD Cc1ccc(CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(OCCC(C)C)c1 532036058 RQCZHYRCRPGBJL-UHFFFAOYSA-N 433.892 4.236 5 20 IIBD CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1cccc(C(F)(F)F)c1 532930108 DMCWJBKPDWYFDQ-UHFFFAOYSA-N 446.223 4.447 5 20 IIBD Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(C)c3cccc([N+](=O)[O-])c3)cc2)cc1 533147458 VVOHPSUKSCYHEI-UHFFFAOYSA-N 439.493 4.005 5 20 IIBD Cc1ccc(OC2CCN(CCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)CC2)cc1C 533250967 LWGRUWMSVHZZNI-UHFFFAOYSA-N 425.485 4.053 5 20 IIBD O=C1NCCCN1C1CCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 536678618 GQKOFEUZWDKEMG-UHFFFAOYSA-N 444.919 4.420 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 538262693 GZDCHLYDHJNNSE-BEFAXECRSA-N 425.268 4.317 5 20 IIBD COCCN1CCC(NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)CC1 539076967 XNJBDRUSWGILKN-UHFFFAOYSA-N 437.899 4.380 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N1CCN(c2ccccc2)CC1 539790467 WAJLWSGYRPQSTA-GOSISDBHSA-N 442.585 4.036 5 20 IIBD O=C1CCCN1[C@@H]1CCCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 539834034 WERWPPKHOSNNIF-HSZRJFAPSA-N 445.523 4.034 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@@H](CCCc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 541149711 KUZMETGFMHQSIK-NRFANRHFSA-N 447.491 4.422 5 20 IIBD CN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 544484124 ZJYXZXZUGDSUAE-REWPJTCUSA-N 441.503 4.329 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3cccnc3OCC(F)F)no2)c(Br)c1 545848164 VKRGGCXWHGBTKE-UHFFFAOYSA-N 427.161 4.113 5 20 IIBD CCN(C[C@H]1CCCN1CC)C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 548454921 YOLICVXHZOZHEQ-IEBWSBKVSA-N 425.533 4.109 5 20 IIBD CC[C@@H](C)N(Cc1ccccc1)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 551470955 ZDDCIXMTRLFRFD-CYBMUJFWSA-N 434.290 4.123 5 20 IIBD COc1ccc(-c2nc(C(=O)N(C)CCc3ccccc3[N+](=O)[O-])cs2)cc1OC 557079663 WAUIMXVGHFOARO-UHFFFAOYSA-N 427.482 4.050 5 20 IIBD COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 559439748 BGNJVDOKPTYYQT-HXUWFJFHSA-N 436.489 4.260 5 20 IIBD O=C(Nc1cccc(-n2cc(C(F)(F)F)cn2)c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 564423496 HGMUDPAFTIQVTH-UHFFFAOYSA-N 447.373 4.226 5 20 IIBD CCN(CC)[C@H](c1ccccc1)c1nc(Cc2cc(OC)cc(OC)c2[N+](=O)[O-])no1 568327310 UYPGOAFXTARWKI-OAQYLSRUSA-N 426.473 4.017 5 20 IIBD C[C@@H](C(=O)Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 570116950 KBEZVOAHMSNUBQ-CYBMUJFWSA-N 434.374 4.480 5 20 IIBD Cc1ccccc1[C@H](c1noc(-c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)n1)C(C)C 571483310 RWUWPZNHXHGLED-OAQYLSRUSA-N 434.452 4.395 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccccc2CN2CCOCC2)no1 582637417 GZPPYRBXQSEWSI-CQSZACIVSA-N 444.875 4.270 5 20 IIBD O=C(Nc1ccc(Oc2cccc(F)c2F)nc1)c1cc([N+](=O)[O-])cc2c1OCCO2 584165881 JTCZWZHTDPQCBH-UHFFFAOYSA-N 429.335 4.084 5 20 IIBD O=C(c1cc(Cl)ccc1I)N1CCc2cc([N+](=O)[O-])ccc21 603636885 AOFPWGFKQYBAII-UHFFFAOYSA-N 428.613 4.056 5 20 IIBD O=C(c1cncc2ccccc12)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 603948616 MXFDIRFRKMSJED-UHFFFAOYSA-N 430.386 4.124 5 20 IIBD CNc1ccc(C(=O)Nc2ccc(Oc3ccc(S(C)(=O)=O)cc3)cc2)cc1[N+](=O)[O-] 608826478 FJMMHDYFVDRQJN-UHFFFAOYSA-N 441.465 4.085 5 20 IIBD O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)c1n[nH]c2ccc([N+](=O)[O-])cc12 608962103 YJOZICQBMKXHIT-UHFFFAOYSA-N 431.239 4.275 5 20 IIBD COC(=O)c1c(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)sc2c1CCC2 609094105 QCDGWQYIUIOXPQ-UHFFFAOYSA-N 429.479 4.307 5 20 IIBD CC(C)Oc1ccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c(C(F)(F)F)c1 609188456 ALLOWSQITCKPJQ-UHFFFAOYSA-N 435.362 4.234 5 20 IIBD CCc1nc(CN2CCC(CNC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)CC2)cs1 609530606 MWIAEAKQNIKCLU-HNNXBMFYSA-N 448.614 4.123 5 20 IIBD COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)c2ccccc12 609563026 GZZRLSPORCWBLI-MRXNPFEDSA-N 433.464 4.248 5 20 IIBD CCOc1ccc([C@H]2CCCN2C(=O)COc2ccc([N+](=O)[O-])cc2Br)cc1 609961793 HSXFESFQIOHICQ-GOSISDBHSA-N 449.301 4.499 5 20 IIBD CC(C)(C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc([N+](=O)[O-])cc1 610036504 VVTSVUUHRLPIRL-UHFFFAOYSA-N 445.541 4.076 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)c1ccc(Oc2ccccc2)cc1 610114337 HGCPXMTVZORDAQ-QRWLVFNGSA-N 437.500 4.497 5 20 IIBD Cc1cc(NC(=O)c2ccc(C(=O)NCC(C)(C)C)cc2)n(-c2ccc([N+](=O)[O-])cc2)n1 610170698 UUJKAGDCWYXPIQ-UHFFFAOYSA-N 435.484 4.117 5 20 IIBD O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)c1ccc([N+](=O)[O-])cc1Br 610178748 WRSDYWVSPJYODU-GFCCVEGCSA-N 438.709 4.410 5 20 IIBD CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)CC2 611208214 PWJUQNMFHHUPRC-VQTJNVASSA-N 434.558 4.022 5 20 IIBD C[C@@H](C(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 617714064 SLJHMQCRTBRDLY-OAHLLOKOSA-N 425.466 4.138 5 20 IIBD CO[C@@]1(C(F)(F)F)CCCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 682022311 XEWKOVSBGAMTEE-FQEVSTJZSA-N 440.368 4.143 5 20 IIBD CC[C@H](C)n1ncc2c(C(=O)OCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc(C)nc21 725960937 RAEUKYKPUHTJFL-LBPRGKRZSA-N 445.863 4.068 5 20 IIBD Cc1nc(-c2ccco2)ccc1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 726233263 YETOJSDBLLZTNX-LBPRGKRZSA-N 429.816 4.396 5 20 IIBD COc1cc(C2(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CCCC2)ccc1C 731084330 HEHJLQQKMIXMCS-UHFFFAOYSA-N 430.432 4.045 5 20 IIBD CC1=C(C(=O)OCc2ccccc2)[C@H](c2cc([N+](=O)[O-])c(F)cc2F)NC(=O)N1C1CC1 731431808 ONHQTLSDHQTPME-FQEVSTJZSA-N 443.406 4.119 5 20 IIBD C[C@H](OC(=O)CO[C@@H]1CCCC[C@H]1C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 733572419 XEUBUSUHBHUQAD-QWQRMKEZSA-N 447.513 4.184 5 20 IIBD Cn1c(-c2ccc(NS(=O)(=O)c3cccc(F)c3[N+](=O)[O-])cc2)nc2ccccc21 735608985 IJPZXBFDQYIAGQ-UHFFFAOYSA-N 426.429 4.088 5 20 IIBD CCc1ccc([C@@H]2CCCCCN2C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)o1 739612530 PVEAQKRUIFAORU-NRFANRHFSA-N 427.501 4.344 5 20 IIBD O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(CS(=O)(=O)c2ccccc2)o1 740675232 PCVOAOAJZTUWSX-UHFFFAOYSA-N 435.841 4.172 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F 741518426 SCSDKCWEOZGOMH-DLBZAZTESA-N 442.422 4.464 5 20 IIBD CN(CC1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1)C(=O)OC(C)(C)C 742402260 IMMGFGRQJMKCPY-UHFFFAOYSA-N 428.327 4.441 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)cc1[N+](=O)[O-] 743752901 IQRRZNHSYRASGZ-UHFFFAOYSA-N 433.833 4.159 5 20 IIBD CC(C)CO[C@H](C)c1noc(COC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1 744894119 DEEAQZVXRQWUBH-GFCCVEGCSA-N 432.458 4.192 5 20 IIBD CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C(C)(C)C1 746612514 VBUKAIXQKBSIAL-UHFFFAOYSA-N 446.529 4.190 5 20 IIBD Cc1c(COC(C)(C)C)cccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 747346715 SNBWPCQGKRYBKF-MRXNPFEDSA-N 443.475 4.349 5 20 IIBD Cc1c(C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748951862 RXTNZJNYVPKLLQ-UHFFFAOYSA-N 432.776 4.180 5 20 IIBD CSc1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 750963012 HCNNSEUQHUDNNM-SNVBAGLBSA-N 439.287 4.263 5 20 IIBD CC(C)(N/C=C1/C(=O)N(c2ccccn2)C(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 751921700 HGHAUCGMLYUIER-HMMYKYKNSA-N 428.448 4.043 5 20 IIBD C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1cccc(-n2cccn2)c1 754978124 ROWMNVBGCIOMOW-LLVKDONJSA-N 433.237 4.173 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)OCC(=O)Nc1cc(Cl)c(Cl)cc1Cl 755671037 BSWQXRIRTWQJDU-UHFFFAOYSA-N 433.631 4.359 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1-c1cccs1)Nc1ccc(N2CCOCC2)cc1 755942970 XFGNUMHJWKSJCI-UHFFFAOYSA-N 439.493 4.177 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])N(Cc1ccccc1)C[C@H](O)c1ccsc1 757088614 CTTNXXZHAAYLPJ-FQEVSTJZSA-N 426.494 4.188 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCc1nc(-c2cccc(C(F)(F)F)c2)no1 758744315 DLGKERAMLACIAM-UHFFFAOYSA-N 446.341 4.431 5 20 IIBD O=C(CSCc1coc(-c2ccccc2)n1)O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 759950478 PVEXIVOLLDLHNQ-ZWKOTPCHSA-N 442.497 4.407 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)c1F 760345628 WNMLBNOSIBVIAH-UHFFFAOYSA-N 449.504 4.248 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(Cc3noc([C@@H]4CC(c5cc(F)ccc5F)=NO4)n3)c2c1 762308040 HRCPNCNBUQDXPT-SFHVURJKSA-N 425.351 4.194 5 20 IIBD C[C@H](Sc1nc2ccccc2s1)C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 762905928 GJWCASWUBGGNDU-NSHDSACASA-N 442.478 4.479 5 20 IIBD CC(C)n1cccc1C(=O)O[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 763892132 VIYXROAHUVOPFI-CYBMUJFWSA-N 428.470 4.285 5 20 IIBD Cc1sc(S(=O)(=O)Nc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)cc1[N+](=O)[O-] 767466662 NAFRICWHZVLIIQ-LLVKDONJSA-N 441.531 4.351 5 20 IIBD CC[C@@H](C[C@@H](C)CO)NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 768882355 RWZYUWZDYLTBTP-KGLIPLIRSA-N 433.892 4.027 5 20 IIBD O=C(Cc1cc(F)c(F)cc1F)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 769076244 GCSDBONIWAXWEY-UHFFFAOYSA-N 430.338 4.413 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 769441802 QLCUWWJCHWLECB-GFCCVEGCSA-N 441.962 4.152 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1 770117690 QITQSIMMYDVPLW-INIZCTEOSA-N 441.387 4.452 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1ccc(Oc2ccc(Cl)nn2)cc1 770467206 JGKWEGCIIKZLFF-UHFFFAOYSA-N 439.819 4.029 5 20 IIBD COc1cc([C@H]2NC(=O)N(Cc3cccs3)C(C)=C2C(=O)OC(C)C)ccc1[N+](=O)[O-] 770638705 YQPOGYWBEHDJTF-LJQANCHMSA-N 445.497 4.157 5 20 IIBD CCc1cc(N2CCC(Oc3cncc(Cl)n3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 777792495 HIQFHCLMURPKKW-UHFFFAOYSA-N 440.891 4.105 5 20 IIBD CN(CC1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1)C(=O)OC(C)(C)C 780602655 UQXZSWSUEXCLEV-UHFFFAOYSA-N 449.551 4.400 5 20 IIBD O=C(C[C@@H](O)c1ccc(OCc2ccccc2)cc1)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 781001276 ZUFYAIXUUUMSHY-OAQYLSRUSA-N 432.436 4.112 5 20 IIBD CC(C)(C)OC(=O)N1Cc2ccc(CNC(=O)CSc3ccc([N+](=O)[O-])cc3)cc2C1 781077767 UCGYKDZYEWVIDI-UHFFFAOYSA-N 443.525 4.254 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)[C@@H](C)Oc2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] 782375099 FMYNGAXLVUJVBX-QWHCGFSZSA-N 440.374 4.260 5 20 IIBD C[C@@H](OC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cnccn1 782462569 LFXKWSCHJLZXFS-GFCCVEGCSA-N 426.816 4.209 5 20 IIBD CC(C)c1ccc(C(=O)N[C@H](C)c2cc(F)ccc2N2CCC(O)CC2)cc1[N+](=O)[O-] 784424634 PMEQOVGRWSAEDG-OAHLLOKOSA-N 429.492 4.309 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N(CCc1ccc(F)cc1)C1CCCC1 785226577 JAZRQBCEAWCZQJ-UHFFFAOYSA-N 433.867 4.340 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 786992823 VQHNJHCGLZWGSK-LSDHHAIUSA-N 444.488 4.269 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)c1ccccc1Br 789078774 MFTHMJBPRNONAK-NSHDSACASA-N 429.226 4.334 5 20 IIBD Cc1ccc[n+](/C(C(=S)NCCc2ccc(F)cc2)=C(/O)c2ccc([N+](=O)[O-])cc2)c1 789423244 GXXGVSIOVVJGEV-UHFFFAOYSA-O 438.504 4.373 5 20 IIBD C[C@@]12CCN(C(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C[C@H]1C2(Cl)Cl 790848144 RYMBXLPAGAZEID-TZMCWYRMSA-N 426.222 4.339 5 20 IIBD Cc1[nH]nc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c1Cl 790979187 JQBAWPSGUDDJKL-UHFFFAOYSA-N 436.859 4.314 5 20 IIBD O=C(CCc1cncc2ccccc12)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791172817 PTTGCHNTBHNXKL-UHFFFAOYSA-N 440.297 4.423 5 20 IIBD O=C(Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2)c1cccc(Cl)c1[N+](=O)[O-] 791372723 XXGLBVFCGYHPJW-UHFFFAOYSA-N 427.816 4.204 5 20 IIBD CSc1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1 792475431 YXCKWUOTEVBJCS-UHFFFAOYSA-N 439.287 4.183 5 20 IIBD Cc1c(C(=O)N2CCC(n3c(C)nc4ccccc43)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 794042274 MYPQCHUHNINSHX-UHFFFAOYSA-N 437.456 4.255 5 20 IIBD COc1ccc(OC)c([C@H](C)NC(=O)COc2cc(Cl)c(Cl)cc2[N+](=O)[O-])c1 794499027 VMXOWDWBFVCHNF-JTQLQIEISA-N 429.256 4.175 5 20 IIBD COc1ccccc1C(=O)Nc1ccc(OC(=O)COc2ccc([N+](=O)[O-])c(C)c2)cc1 797410170 ABXPLZXAPDCITA-UHFFFAOYSA-N 436.420 4.149 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] 799603507 SABNBPQCNCDKDH-UHFFFAOYSA-N 428.426 4.016 5 20 IIBD Cc1cc(C)cc([C@@H](O)CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 801536703 PQERBUZGBVSLCT-SBUREZEXSA-N 434.496 4.243 5 20 IIBD COc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3cc([N+](=O)[O-])c(F)cc3N)s2)cc1 801902010 XHIJROOJPHQSIR-JTQLQIEISA-N 430.461 4.248 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1 801981502 WEVQVNVMNNTAGD-HNNXBMFYSA-N 426.217 4.195 5 20 IIBD CN(CC1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1)C(=O)OC(C)(C)C 809914063 AKXPACBONUWLPD-UHFFFAOYSA-N 426.901 4.359 5 20 IIBD CC(C)(C)[C@@H](NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 810349443 RKQVHDFGKCRDBL-INIZCTEOSA-N 434.290 4.199 5 20 IIBD O=C(c1cc(Cl)ncc1Br)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 810452356 MOBDJROEQPQPGQ-UHFFFAOYSA-N 440.681 4.089 5 20 IIBD O=C(NC[C@@H]1CCCO1)c1cccc(CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 811475704 LDPAZFIITOHNED-KRWDZBQOSA-N 438.311 4.100 5 20 IIBD CCCOc1c(Br)cc(-c2nc(CCC(C)(C)[N+](=O)[O-])no2)cc1OC 812811769 IPKBGMNCJPJWMW-UHFFFAOYSA-N 428.283 4.284 5 20 IIBD CNC(=O)c1cc(Oc2cccc(NC3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2)ccn1 813885956 ZNQUYFLXNMNJJU-UHFFFAOYSA-N 447.495 4.223 5 20 IIBD CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 849194443 NISNWMJKWDTUBL-HZPDHXFCSA-N 436.468 4.478 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Oc1ccc(C(C)(C)C)cc1 912652137 LVEJGATUYAIRLZ-LJQANCHMSA-N 430.526 4.349 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)CCc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 912870079 WNPNOKYTPPTEDG-LLVKDONJSA-N 441.267 4.413 5 20 IIBD C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 916537990 VZCXNPJNNWXMHE-ZDUSSCGKSA-N 434.876 4.495 5 20 IIBD COc1cc(C(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)c([N+](=O)[O-])cc1OC 917802467 LQMMPRXSUPKJSK-UHFFFAOYSA-N 441.484 4.269 5 20 IIBD O=C(Nc1ccc(Cl)cn1)C1CCN(Cn2c(=S)oc3ccc([N+](=O)[O-])cc32)CC1 918181046 PLMGQYPKSNKVDB-UHFFFAOYSA-N 447.904 4.229 5 20 IIBD CCn1c(SCC(=O)OCc2cc(F)ccc2[N+](=O)[O-])nnc1-c1cccc(C)c1 918909031 HIUUZXIXCUJSSU-UHFFFAOYSA-N 430.461 4.156 5 20 IIBD C[C@@H](OC(=O)c1ccc(O[C@H](C)c2ccccc2)nc1)C(=O)Nc1cccc([N+](=O)[O-])c1 919213629 GKZFSBZGVPUWBZ-HZPDHXFCSA-N 435.436 4.314 5 20 IIBD CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F 919993932 KAPHDGISBOAFHZ-QFIPXVFZSA-N 441.434 4.348 5 20 IIBD C[C@@H](OC(=O)c1cc2sc(N(C)C)nc2s1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 920259790 MVZWUQLCVBGHEI-SECBINFHSA-N 445.482 4.300 5 20 IIBD COc1cccc([C@@H](C)C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 920560367 GTMFTENGVWDVAC-NEPJUHHUSA-N 440.374 4.296 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1 920704796 JPSAGQJLMPIHIO-QWRGUYRKSA-N 441.267 4.333 5 20 IIBD O=C(OCc1csc(COc2ccc(Cl)cc2)n1)c1cc2c(cc1[N+](=O)[O-])OCO2 925218428 XHVGVLMGXBWPIZ-UHFFFAOYSA-N 448.840 4.369 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2cc3c(cn2)OCCC3)c2ccccc2)c([N+](=O)[O-])c1 1116533687 IFXUISIPTDLOGH-QFIPXVFZSA-N 447.447 4.160 5 20 IIBD Nc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)cc(Br)cc1[N+](=O)[O-] 1116936801 OHVBSNKVRIJECX-RBVVOMGSSA-N 430.302 4.490 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N2CC[C@@H]3OCCC[C@H]3C2)cc1[N+](=O)[O-] 1319454363 IGUZKFKJPIJTOP-JXFKEZNVSA-N 440.521 4.189 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1-c1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1 1326103438 BXLORPXWBNPOBV-UHFFFAOYSA-N 448.888 4.140 5 20 IIBD COc1cc(-c2nnc(-c3ccccc3OC)o2)c([N+](=O)[O-])cc1OCc1cscn1 1327277753 JZZRJIPRGDZNPE-UHFFFAOYSA-N 440.437 4.365 5 20 IIBD O=[N+]([O-])c1cc(Cl)c2ncnc(Nc3ccc4nc(N5CCOCC5)sc4c3)c2c1 1343098974 UWXGJCFLLSUCKO-UHFFFAOYSA-N 442.888 4.381 5 20 IIBD CCCCC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cc2)CCC1 1786806297 KZYUPWHZEZYHHR-QGZVFWFLSA-N 441.532 4.142 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)NC1(c2ccc(NC(=O)c3ccc[nH]3)cc2)CCC1 1789685879 WNGIUYUHTMJAND-UHFFFAOYSA-N 436.443 4.052 5 20 IIBD C/C=C(/C)C(=O)Nc1ccc(C2(NC(=O)c3cc(N(C)C)ccc3[N+](=O)[O-])CCC2)cc1 1791225581 CPDNUUVOIQRWKQ-BNCCVWRVSA-N 436.512 4.375 5 20 IIBD O=C(/C=C/c1cccc(O)c1)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1 1791332912 VFIHNIGECGYLSB-VZUCSPMQSA-N 447.447 4.355 5 20 IIBD Cc1cc(C)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2ccc(C)c([N+](=O)[O-])c2)C3)c1 1799662769 ZZRFBZDMEMSOQH-KOUNCHBCSA-N 435.524 4.015 5 20 IIBD Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCc2ccco2)C3)cc(Cl)cc1[N+](=O)[O-] 1800712322 ABTCVNPFBFDWGW-BJWYYQGGSA-N 445.903 4.034 5 20 IIBD Cc1cc(C)cc(C(=O)N2CCC3(CCCN(C(=O)Cc4cccc([N+](=O)[O-])c4)C3)CC2)c1 1804754213 RCOQQZNOUMNVCS-UHFFFAOYSA-N 449.551 4.299 5 20 IIBD Cc1ccc(C(=O)N2CCCC3(CCN(C(=O)c4ccc([N+](=O)[O-])o4)CC3)C2)cc1Cl 1805080964 WIPRUSNTFVRKDY-UHFFFAOYSA-N 445.903 4.308 5 20 IIBD CC[C@H]1CC[C@H](C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)CC3)CC1 1825707855 MMICANKHJLNJLW-IHRRRGAJSA-N 446.529 4.087 5 20 IIBD Cc1cc(CCCC(=O)N2CCCC23CN(C(=O)CCC2CCC2)C3)c([N+](=O)[O-])cc1F 1841506243 OQTGGKPNTVDTPJ-UHFFFAOYSA-N 445.535 4.149 5 20 IIBD C[C@@H](OC(=O)Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 11068437 NPOFUQSNDYQNNO-SNVBAGLBSA-N 430.766 4.380 5 20 IIBD O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCN(Cc2ccccc2)CC1 15345419 SIOQEPNVYNASJM-UHFFFAOYSA-N 430.508 4.165 5 20 IIBD CCOc1ccc(Nc2ncccc2C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 16601072 LGWBKNCYDPNSCY-UHFFFAOYSA-N 447.495 4.095 5 20 IIBD NC(=O)c1ccc(COC(=O)c2ccccc2OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 17732293 VITWVNYJXKTMHN-UHFFFAOYSA-N 440.839 4.283 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)CC1 23383791 VWKUOIQWHKGHDZ-DEOSSOPVSA-N 437.540 4.417 5 20 IIBD Cc1c(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cnn1-c1ccc(Cl)cc1 25773832 PUWGWIXEUZTACP-UHFFFAOYSA-N 449.250 4.191 5 20 IIBD O=C(CN1CCc2sccc2[C@@H]1c1cccs1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 29195255 LEZJDORNWIVADW-HXUWFJFHSA-N 443.506 4.033 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(-n3cccn3)nc2)cc1 32965989 RMJNVUJBQGWNTB-UHFFFAOYSA-N 431.408 4.229 5 20 IIBD COC(=O)CCc1c(C)nn(-c2ccc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cc2)c1C 45411161 VOKJYRAFSWPFSY-UHFFFAOYSA-N 436.468 4.064 5 20 IIBD COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCCc1ccc([N+](=O)[O-])cc1 65124167 VZZORVLKCASLJK-UHFFFAOYSA-N 442.475 4.429 5 20 IIBD COC(=O)Cc1sc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)nc1-c1ccccc1 65430748 HHCBSSJBCAMJBA-UHFFFAOYSA-N 436.449 4.167 5 20 IIBD CCn1c(SCC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1C 108162861 HFBGUZZUDBVTKZ-OAHLLOKOSA-N 425.514 4.151 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(OC[C@H]2CCCO2)c1 108892109 XKCLZLIQMZTDAT-GOSISDBHSA-N 425.485 4.314 5 20 IIBD COC(=O)c1cnc(N2CCC(c3nc4cc(Cl)ccc4s3)CC2)c([N+](=O)[O-])c1 302666968 CMLMHJUFSRSVTB-UHFFFAOYSA-N 432.889 4.424 5 20 IIBD O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)c1cc(O)nc2ccc([N+](=O)[O-])cc12 303517055 YDGNDGAUJVTTDC-KRWDZBQOSA-N 429.379 4.257 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ncc(Cc3ccc(C)c(C)c3)s2)c([N+](=O)[O-])c1 409504662 VSOGBXMXTOTBCE-UHFFFAOYSA-N 433.511 4.068 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@H](C)C[C@@H]1c1ccc(C(F)(F)F)cc1 410077497 UKFUSVVIDUXATA-BIENJYKASA-N 449.429 4.342 5 20 IIBD O=C(CN[C@H](c1ccccc1)C(F)(F)F)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 427602150 DSRRGOFSHQHLCV-MRXNPFEDSA-N 435.324 4.123 5 20 IIBD CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 429112201 IHYJFJBCHINMNP-KRWDZBQOSA-N 449.458 4.110 5 20 IIBD Cc1cc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c2cnn(Cc3cccs3)c2n1 430549026 XHFLGVPTQGPDMO-UHFFFAOYSA-N 435.509 4.423 5 20 IIBD C[C@@H]1CSc2ccccc2N1C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 430649485 AJGGHUYMCPMRIB-GFCCVEGCSA-N 427.511 4.016 5 20 IIBD O=C(c1cccc(Cl)c1Cl)N1CCN(c2ccnc3c([N+](=O)[O-])cccc23)CC1 432331360 MFFRFIXRVXMGCJ-UHFFFAOYSA-N 431.279 4.412 5 20 IIBD COC(=O)c1cnc(Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)c([N+](=O)[O-])c1 432932284 HDTZQUMONUNQED-UHFFFAOYSA-N 436.211 4.409 5 20 IIBD Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 437924216 YEIXZVRIDDXABQ-UHFFFAOYSA-N 432.455 4.475 5 20 IIBD C[S@](=O)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CCC1 438127790 DXPBUALYBBMFKS-NDEPHWFRSA-N 438.958 4.430 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(Nc2cc(OC)cc(OC)c2)CC1 439870227 FSSOMDQJDRJILE-UHFFFAOYSA-N 444.488 4.119 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 439901231 MORAUHSOELGBIQ-UHFFFAOYSA-N 436.472 4.190 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 443648404 MZMJXPUDLCTKGS-CQSZACIVSA-N 440.431 4.053 5 20 IIBD CCc1[nH]nc(C(=O)N[C@H](c2cccc(SC)c2)c2cc(F)ccc2F)c1[N+](=O)[O-] 444292541 NYPCSTJBDAJQSH-QGZVFWFLSA-N 432.452 4.400 5 20 IIBD COc1ccc(CSCc2nc(CCc3ccc4c(c3)CCO4)no2)cc1[N+](=O)[O-] 445601451 OXCJWRLKHKKHBR-UHFFFAOYSA-N 427.482 4.140 5 20 IIBD C[C@@H](NC(=O)Cc1noc(-c2ccc([N+](=O)[O-])s2)n1)c1ccc(Cl)cc1Cl 445747657 BPRUHLWHOIXGQH-MRVPVSSYSA-N 427.269 4.433 5 20 IIBD Cn1nc(-c2cccs2)nc1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 448403221 XDOJSQQKKCUQOV-UHFFFAOYSA-N 435.465 4.283 5 20 IIBD CC(=O)Nc1ccc(S[C@@H](C)C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 460346894 IGXQLHQGDXEGHS-RNODOKPDSA-N 431.539 4.308 5 20 IIBD Cc1cc(Sc2nnc([C@@H]3CCCNC3)n2C2CC2)c(C(F)(F)F)cc1[N+](=O)[O-] 461947198 JBBWOOMAYGYNFU-LLVKDONJSA-N 427.452 4.467 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2c3ccccc3CCC[C@H]2C)cc1OC 462581833 SKCSOPZFHTWFME-QRQCRPRQSA-N 428.485 4.072 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1-c1cccs1)N1CCO[C@H](c2ccc(F)cc2)C1 462692756 QRJYFODNSUKYGF-FQEVSTJZSA-N 442.468 4.441 5 20 IIBD CNc1c(C(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cccc1[N+](=O)[O-] 462987837 ITJFCOKICOTWTO-AWEZNQCLSA-N 441.875 4.360 5 20 IIBD O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 467265725 JQNSMJZNSYMNNB-ZDUSSCGKSA-N 430.823 4.457 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@@]2(CCO[C@@H]2C)O1 468522344 HPHZBERWSTWPEB-DOQJBMMISA-N 446.887 4.449 5 20 IIBD COC[C@@H]1CCCCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 469189148 GBMNRCWPWSLOKI-OAHLLOKOSA-N 445.903 4.389 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 470709410 ISHZHZIMVSFNLG-UHFFFAOYSA-N 426.853 4.113 5 20 IIBD Cc1cc(=O)n(CC(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1[N+](=O)[O-] 474402963 OCLXKNICSFGNPT-UHFFFAOYSA-N 439.280 4.134 5 20 IIBD COc1cc(CCNC(=O)[C@]2(Cc3ccccc3)C[C@H]3CC[C@H]2C3)c([N+](=O)[O-])cc1OC 477197258 USCKHMVYQKUXBY-JVFUWBCBSA-N 438.524 4.320 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3cc4ccc(Cl)cc4[nH]3)CC2)ccc1[N+](=O)[O-] 477348403 IWVNCUFJORBHJE-UHFFFAOYSA-N 428.876 4.091 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc(C(F)F)ccc1Cl 478163426 DBVPXVGIEHCRNJ-UHFFFAOYSA-N 432.210 4.137 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cnn(-c2ccccc2)c1C(F)(F)F 479452475 XTNHKANGBSXFQI-UHFFFAOYSA-N 438.793 4.425 5 20 IIBD CCn1c([C@@H]2CCCN2S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])nc2ccccc21 481019348 GOOUZBRWPBYDNB-SFHVURJKSA-N 428.514 4.107 5 20 IIBD CCOC(=O)c1csc([C@H]2CCCN2[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1 484944491 YMCOWGNUPZURFU-MLGOLLRUSA-N 443.485 4.176 5 20 IIBD Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)c1sc(Br)cc1[N+](=O)[O-] 485680638 UPSKXISMJBTOEN-UHFFFAOYSA-N 438.303 4.119 5 20 IIBD COC(=O)c1cc(NC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)c(C)c([N+](=O)[O-])c1 485957347 OJUQXYADPDAFGL-UHFFFAOYSA-N 449.250 4.435 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 486662675 HQRZPIDUXNQQMB-OAQYLSRUSA-N 443.569 4.209 5 20 IIBD Cc1cccc(Oc2ccc(NC(=O)CN3CCC(n4ccc([N+](=O)[O-])n4)CC3)cc2)c1 488764213 GLAJONREYBFOIL-UHFFFAOYSA-N 435.484 4.168 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNc2nncn2-c2cccnc2)cc1 490067151 MEBXEIFXPLHHGI-UHFFFAOYSA-N 438.451 4.035 5 20 IIBD COc1c(F)cc(S(=O)(=O)N(C)[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] 490698135 AQDPVRTWESJXDK-JTQLQIEISA-N 436.383 4.143 5 20 IIBD COc1ccc([C@H](CCn2cncn2)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 494490448 BBLUMSMCKGCRCH-IBGZPJMESA-N 435.406 4.135 5 20 IIBD CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 498158967 DVTBYGATNKCJHG-HXUWFJFHSA-N 440.450 4.330 5 20 IIBD CN(c1ccccc1)c1ccc(CNCC(=O)N[C@@H]2CCOc3ccccc32)cc1[N+](=O)[O-] 500562123 BGRLOIYLMYOQNC-OAQYLSRUSA-N 446.507 4.092 5 20 IIBD Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCCN1c1ncc([N+](=O)[O-])cc1Cl 500871888 VAZSAQOMVQLKBS-SFHVURJKSA-N 431.855 4.163 5 20 IIBD CCNc1ccc(C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)cc1[N+](=O)[O-] 501408787 BGEPLOIHDRUDCC-UHFFFAOYSA-N 426.860 4.142 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CC=C(c2ccccc2F)C1 501595244 GGSXAFDUASFIMV-HXUWFJFHSA-N 445.878 4.068 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F 503984118 DUHYQYNHEJCZOY-CYBMUJFWSA-N 430.738 4.108 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(Cc2csc(CC)n2)CC1 505914409 YXDPACZAMLEEIV-UHFFFAOYSA-N 434.587 4.074 5 20 IIBD O=C(N[C@H](Cn1ccccc1=O)c1ccccc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 506065027 SXCVEEDMFOWZSJ-XMMPIXPASA-N 435.483 4.014 5 20 IIBD O=C(NCc1ccco1)[C@@H]1CCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 506458140 AEWZAYNDXZBVLB-IBGZPJMESA-N 429.860 4.382 5 20 IIBD CCCCOc1cccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1 509021971 JINRDZCJIFHBDJ-UHFFFAOYSA-N 427.486 4.306 5 20 IIBD Cc1c(Br)cc(C(=O)N[C@H](c2cccc(F)c2)c2nccn2C)cc1[N+](=O)[O-] 509899725 PEPHUMSBIRQLLW-QGZVFWFLSA-N 447.264 4.058 5 20 IIBD Cc1ncsc1CCN1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 510248385 DCQNXPGTKDCPBF-UHFFFAOYSA-N 428.583 4.449 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CCC(n4c(C)ccc4C)CC3)cc2)c(C)c1[N+](=O)[O-] 512582230 KWRSQBGLNBFMIU-UHFFFAOYSA-N 435.528 4.352 5 20 IIBD Cn1c(SCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)nc2cc3ccccc3cc2c1=O 514572131 VKVJADJBZBKNLV-UHFFFAOYSA-N 445.460 4.337 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 516734253 LKIYSDKDQVHUBY-UHFFFAOYSA-N 431.876 4.167 5 20 IIBD NC(=O)c1ccc(SCC(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)c([N+](=O)[O-])c1 518666133 YMFJQOHCHCDBOM-SFHVURJKSA-N 438.509 4.021 5 20 IIBD COc1ccc([C@@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])c2c[nH]c3ccccc23)cc1 520952581 WVTJDSCDASHPGI-HXUWFJFHSA-N 444.491 4.445 5 20 IIBD CCC(CC)[C@@H](O)CNc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] 521370939 VCAUJMBIDFREJK-NRFANRHFSA-N 435.546 4.221 5 20 IIBD O=C1CCCN1c1cc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)cc(C(F)(F)F)c1 522876159 XFBLHDOFOAWQMU-UHFFFAOYSA-N 433.386 4.333 5 20 IIBD CC[C@@H](C)[C@H](O)CNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 524557822 ZBWWVGHFRZRJJV-SJKOYZFVSA-N 439.871 4.386 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(OC(C)(C)C)cc2)cc1[N+](=O)[O-] 525051751 BBVFCWRJGCFCBC-UHFFFAOYSA-N 427.486 4.304 5 20 IIBD CCOC(=O)[C@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c2ccccc21 525841869 PKTXBTZEOYXTIR-KRWDZBQOSA-N 437.477 4.416 5 20 IIBD C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1cc2ccccc2s1 526952199 UTAANCIFJCJOLG-JSGCOSHPSA-N 429.523 4.353 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)S(=O)(=O)c1ccccc1C(F)(F)F 530323602 IIXRODSPVQALBR-JTQLQIEISA-N 427.360 4.199 5 20 IIBD CN(C(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 532827452 QOBBZOXQJDEAHL-IFZYUDKTSA-N 443.450 4.309 5 20 IIBD COc1ccc(-c2ccc(CNc3ccc(C)c(NS(C)(=O)=O)c3)o2)c([N+](=O)[O-])c1 532890271 PGNHEAMFOUPVRW-UHFFFAOYSA-N 431.470 4.155 5 20 IIBD C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 533379061 SWNFWKYNQHZIAA-UTKZUKDTSA-N 431.496 4.490 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 534741810 WUCUFPREKRZENX-UHFFFAOYSA-N 445.541 4.207 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 536250221 QYFRCTCRQFCNIK-UHFFFAOYSA-N 439.859 4.260 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@H]1c1ccccc1 536473418 VLCNNJQMGUHLKN-PKOBYXMFSA-N 428.510 4.316 5 20 IIBD COc1cc(CCNC(=O)c2ccc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])cc1OC 538249248 PMWAUHSVRIDDAM-UHFFFAOYSA-N 432.782 4.257 5 20 IIBD Cc1c(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])cccc1C(=O)N1CCCC1 538346586 ZIFWNBBBYHOLJB-UHFFFAOYSA-N 430.464 4.454 5 20 IIBD COC(=O)Cc1csc(N(C)C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)n1 541624583 WWFNOGLCAKADRG-UHFFFAOYSA-N 449.554 4.326 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 543643806 UGOOKYMWMDAFRP-UHFFFAOYSA-N 440.475 4.169 5 20 IIBD O=C([C@@H]1CC[C@@H]2CCCC[C@H]2C1)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 544685502 CMZWXUZXNOZVDH-OKZBNKHCSA-N 425.533 4.116 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(-c4cc(-c5ccc6c(c5)CCO6)no4)n3)c2c1 545852285 UCKXHQXPWIMOHA-UHFFFAOYSA-N 429.392 4.307 5 20 IIBD CN(C)C(=O)c1ccc(-c2noc(-c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)n2)cn1 546476286 PCSQNFUBMMUFQI-UHFFFAOYSA-N 444.451 4.021 5 20 IIBD COc1cc(Cc2noc(COc3ccc(Oc4ccccn4)cc3)n2)ccc1[N+](=O)[O-] 546491518 HZOCCRSQFUVVGT-UHFFFAOYSA-N 434.408 4.344 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Cn3cncn3)c(F)c2)no1 547068143 UOWMPIAAFUVHAO-LBPRGKRZSA-N 426.433 4.277 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F 547246215 SWEHWFMSUZJCGQ-UHFFFAOYSA-N 440.403 4.163 5 20 IIBD O=C(Nc1ccc(OC(F)(F)F)c(Br)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 547766281 UOMZBSIYIZIVBD-UHFFFAOYSA-N 449.135 4.237 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N(CC(=O)Nc2cccc(C)c2C)[C@@H](C)CC)c1 549293033 ADJWRUKEXOJEGJ-INIZCTEOSA-N 427.501 4.490 5 20 IIBD CC(C)(C(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1)c1ccc([N+](=O)[O-])cc1F 553461594 XFMXJYJTMWLVCL-XMMPIXPASA-N 425.504 4.136 5 20 IIBD CC(C)N(C)c1cnn([C@@H]2CCCN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C2)c(=O)c1 557700348 ILIVKGYCUCTYOA-CQSZACIVSA-N 440.331 4.144 5 20 IIBD CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 560793531 MYEWXNJRHRSGKV-RYGJVYDSSA-N 447.329 4.367 5 20 IIBD C[C@@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 563980100 GKWWGTRCWXHTCD-JTQLQIEISA-N 440.681 4.169 5 20 IIBD Cc1cccc([C@@H]2CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3C[C@H]3CCOC3)C2)c1 569331526 UJLKDNJXXIWNPK-WIYYLYMNSA-N 433.512 4.192 5 20 IIBD CCOc1cc(Br)c(F)cc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 576632779 ZMMNANRRQWFAMZ-UHFFFAOYSA-N 436.237 4.489 5 20 IIBD Cc1cc(C)c(NC(=O)[C@H](C)Sc2nc3cc([N+](=O)[O-])ccc3c(=O)n2C)c(Cl)c1 577331540 BKWAVLUNODNRRV-LBPRGKRZSA-N 446.916 4.231 5 20 IIBD O=C(c1ccc(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1Cl)N1CCCCC1 585731635 IBEWGEPYXNANGI-UHFFFAOYSA-N 431.876 4.258 5 20 IIBD O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 585764786 IDQGHLWCMUWPIL-JOCHJYFZSA-N 439.487 4.273 5 20 IIBD O=C(C1CCN(c2c([N+](=O)[O-])cnc3ccc(Br)cc23)CC1)N1CCCCC1 603552816 UBJJKDZOWBIFNW-UHFFFAOYSA-N 447.333 4.134 5 20 IIBD C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2)C1 603730697 YRRIAUSFZKAHFM-CQSZACIVSA-N 443.481 4.014 5 20 IIBD O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 603737546 NUQVCOFCSGQLCD-UHFFFAOYSA-N 448.262 4.246 5 20 IIBD Cc1cccc(-n2nnc(C(=O)Nc3nc(-c4ccc(C)c([N+](=O)[O-])c4)cs3)c2C)c1 603952355 RVXBVWGXTDGEMD-UHFFFAOYSA-N 434.481 4.477 5 20 IIBD O=C(Nc1ccc(Oc2cccc(F)c2)cc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 604087314 DMOBJSQVRMXJTA-UHFFFAOYSA-N 437.431 4.275 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1OC 604257189 AGSGNWRFKVRBLJ-UWVGGRQHSA-N 444.328 4.205 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(C)c1 608928669 QDQNREFZNQTABV-UHFFFAOYSA-N 444.513 4.196 5 20 IIBD CC(C)N1CCCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 609036871 RPXJMFGNBHSMCY-UHFFFAOYSA-N 444.919 4.057 5 20 IIBD Cc1ccc(CN(C)C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)s1 609073679 SIJICOKNVTWVHI-UHFFFAOYSA-N 445.522 4.038 5 20 IIBD Cc1cc(Oc2ccccc2)ccc1NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 609445069 MYJJIBJKFHLPLR-UHFFFAOYSA-N 426.450 4.351 5 20 IIBD NC(=O)c1ccc(SCC(=O)NCC2(Sc3ccccc3)CCCC2)c([N+](=O)[O-])c1 609455826 WKQVTLVSIBSOMK-UHFFFAOYSA-N 445.566 4.007 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(=O)n(-c2ccc(F)cc2)n1 609755126 GCRAJZXYFNZUKX-UHFFFAOYSA-N 446.394 4.324 5 20 IIBD C[C@H](NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C(=O)N1CCCC[C@@H]1C 609782220 VIRRBWYKYQPGKJ-HOTGVXAUSA-N 426.473 4.298 5 20 IIBD Cc1ccc(-c2c(C)sc3nc(Cn4cc([N+](=O)[O-])cc(Cl)c4=O)nc(O)c23)cc1 609905445 NIOIUIPGNPLHIE-UHFFFAOYSA-N 442.884 4.452 5 20 IIBD COc1cc(C(=O)Nc2cc(Cl)ccc2N2CCSCC2)cc([N+](=O)[O-])c1OC 610172990 IYZCHDQXUSSQLE-UHFFFAOYSA-N 437.905 4.071 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1C[C@@H]1c1cccc(F)c1F 610196193 MSTXVALSCBQPPE-CHWSQXEVSA-N 429.345 4.224 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(OCc3ccccc3)nc2)no1 612912016 MENKZBXDUQYEMR-OAHLLOKOSA-N 445.435 4.110 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H](C)CSc2ccc(Cl)cc21 619507598 QUUDEXZRHRMBQD-LLVKDONJSA-N 428.919 4.194 5 20 IIBD CN(CCC1CCCCC1)C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 725744770 AFXYLDGEAAUSPF-UHFFFAOYSA-N 446.525 4.405 5 20 IIBD C[C@H](OC(=O)Cc1cccc(Br)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 725983819 KTYVPTFWNFLBCN-JTQLQIEISA-N 441.665 4.124 5 20 IIBD CCCNC(=O)Nc1cccc(OC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 727772751 MZMAIKCMFOMDSZ-UHFFFAOYSA-N 426.454 4.469 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)cc1[N+](=O)[O-] 727987939 OOYJGITUNXXWDZ-UHFFFAOYSA-N 446.847 4.343 5 20 IIBD O=C(OCc1ccc(OCc2ccncc2)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 733444918 OOCXNANOEZUCGL-UHFFFAOYSA-N 430.420 4.112 5 20 IIBD COc1cccc(-n2ccnc2SCC(=O)OCc2ccc(Cl)cc2[N+](=O)[O-])c1 734883562 UILVPXXQKQTBET-UHFFFAOYSA-N 433.873 4.278 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(Oc2cc([N+](=O)[O-])c(Cl)cc2C)c([N+](=O)[O-])c1 735669039 FWZDZOBDUFSYTD-UHFFFAOYSA-N 443.865 4.288 5 20 IIBD COc1ccc(N(Cc2ccco2)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1F 739675195 YQPDITALFPYDBC-UHFFFAOYSA-N 440.836 4.384 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)NCCCCc3ccc([N+](=O)[O-])cc3)cc2F)C[C@@H](C)O1 740023004 OWUNNMHUDWYVBN-CALCHBBNSA-N 444.507 4.492 5 20 IIBD CCN(CC)C(=O)c1cccc(OC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 741599808 VDOZGANESBIKDR-UHFFFAOYSA-N 440.374 4.237 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1F 742028384 IRRLENZTOSUHGB-HNNXBMFYSA-N 449.504 4.166 5 20 IIBD C[C@H](OC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 744884670 USJFVWOOOKGQKG-BBRMVZONSA-N 446.460 4.039 5 20 IIBD CC(C)[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)N1C[C@@H](C)C[C@@H](C)C1 745565458 NUZCUACVNRTWFX-IIYDPXPESA-N 430.423 4.300 5 20 IIBD CCN(CC1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1)C(=O)OC(C)(C)C 745988075 PRWBBUKZSZDHLH-UHFFFAOYSA-N 448.564 4.201 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCN(C(=O)OC(C)(C)C)c2ccccc21 746471905 OBXBCAROAMABFT-UHFFFAOYSA-N 440.500 4.494 5 20 IIBD CC(C)Cn1c(SC[C@H](O)c2cccc([N+](=O)[O-])c2)nc2ccc(Cl)cc2c1=O 749637557 BHAFIFMFSLXRKY-SFHVURJKSA-N 433.917 4.440 5 20 IIBD COC(=O)Cc1sc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])nc1-c1ccccc1 750179892 KLNLLCREPRXSMS-UHFFFAOYSA-N 431.857 4.340 5 20 IIBD O=C(Cc1nc(COC(=O)c2cccc(Cl)c2[N+](=O)[O-])cs1)Nc1ccccc1 750539994 DPLRAKFUJMHMDF-UHFFFAOYSA-N 431.857 4.243 5 20 IIBD O=C(CCn1ccc2cc(Cl)ccc21)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 758870198 MEXSAWCNXHVYOX-UHFFFAOYSA-N 426.816 4.386 5 20 IIBD Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 758872597 AXJOIHLPBBZOQS-SFHVURJKSA-N 438.528 4.371 5 20 IIBD C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 759843698 COYIVKUTEFCQGH-LLVKDONJSA-N 439.251 4.292 5 20 IIBD COc1ccc(N(Cc2ccco2)S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)cc1F 760361781 UKQDMOLYGSXVAD-UHFFFAOYSA-N 438.408 4.179 5 20 IIBD CC(C)c1cccc(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)n1 761987719 SQFHMAHDPPPCIQ-GOSISDBHSA-N 425.485 4.355 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Oc2ccc(-c3cscn3)cc2)ccc1Br 765194049 ADZIKBPREDVCIC-UHFFFAOYSA-N 441.284 4.249 5 20 IIBD O=[N+]([O-])c1ccc(-c2cnn(CN3CCO[C@H](c4ccc(OC(F)F)cc4)C3)c2)cc1 765732421 RTJSFHMOIMLICA-FQEVSTJZSA-N 430.411 4.091 5 20 IIBD C[C@H](OC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 766777821 AOOINTOTHHXOPR-XXILOJSOSA-N 442.777 4.339 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(F)cc3C(=O)N(C)C)cc2[N+](=O)[O-])C1 767147086 DRWIJUAZNHBDCA-HUUCEWRRSA-N 442.491 4.170 5 20 IIBD C[C@@]1(c2ccc(Br)s2)NC(=O)N(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1=O 768362411 HEAXNMBQNCXMQO-HNNXBMFYSA-N 444.694 4.039 5 20 IIBD Cc1ccc2nc([C@@H]3CCCN(CC(=O)Nc4cc(Cl)ccc4[N+](=O)[O-])C3)[nH]c2c1 774762279 DDIRTCPXPQTRIB-CQSZACIVSA-N 427.892 4.251 5 20 IIBD COc1cc(CN[C@@H](C)c2cccc(N3CCOC3=O)c2)c([N+](=O)[O-])cc1OC(F)F 775267789 BVNJELUWHUWSEU-LBPRGKRZSA-N 437.399 4.012 5 20 IIBD O=C(O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])[C@@H]1CCCN(C(=O)c2ccccc2)C1 776137024 MBEAYSRGOLNFRG-OFNKIYASSA-N 445.475 4.175 5 20 IIBD O=C(NCc1ccco1)Nc1ccc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc1 778225405 XLHBXUNPBGHVIA-UHFFFAOYSA-N 430.367 4.240 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)O[C@@H](C)c2nc(C3CC3)cs2)ccc1[N+](=O)[O-] 781187872 DGWRNNMVTCUWHP-SCLBCKFNSA-N 429.498 4.146 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1I)c1ccc(Cl)cn1 781615352 QXIOJNFGTLGCCR-QMMMGPOBSA-N 432.601 4.166 5 20 IIBD COc1ccc([C@H]2CCCN2C(=O)c2cccc([N+](=O)[O-])c2Br)cc1OC 782164415 SHWVYIQXQMQYKB-CQSZACIVSA-N 435.274 4.352 5 20 IIBD CCOc1cccc2[nH]cc(CC(=O)O[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c12 782459158 SKKIABDLFUSXOG-GFCCVEGCSA-N 445.859 4.241 5 20 IIBD O=C(OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)c(F)c1 784507011 QEDPEMCWLPVRDZ-ZDUSSCGKSA-N 440.349 4.214 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1C(=O)NC(C)(C)C 785934324 SWENZNVHVOXXCK-UHFFFAOYSA-N 434.290 4.446 5 20 IIBD Cc1ccc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1NC(=O)OC(C)(C)C 787504380 ZVARQXYJZVKKQO-UHFFFAOYSA-N 427.457 4.154 5 20 IIBD Cc1cnc(COC(=O)C[C@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(C)c1[N+](=O)[O-] 789445440 SEUAUUCGFYUMRA-YOEHRIQHSA-N 435.521 4.323 5 20 IIBD Cc1c(C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CCC3)cc([N+](=O)[O-])cc1[N+](=O)[O-] 792646192 HVFWJIMMAZVVBY-UHFFFAOYSA-N 441.831 4.392 5 20 IIBD CCOc1ccc(OCC)c(NC(=S)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)c1 792685541 MFDSMFYKYCGMCQ-UHFFFAOYSA-N 433.486 4.296 5 20 IIBD C[C@H]1CN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](c2cccc(C(F)(F)F)c2)O1 793698636 HSWPGTAFVUAHGX-IFXJQAMLSA-N 447.417 4.292 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(N[C@H]3COc4cc(F)c(Br)cc43)CC2)cc1 800540107 WYPJCMWNONJDKT-SFHVURJKSA-N 436.281 4.189 5 20 IIBD Cc1cc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)n(-c2ccccc2C(F)(F)F)n1 800886612 SZBPDCBWCWXDTG-UHFFFAOYSA-N 444.373 4.096 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCCC[C@@H]1[C@H]1CCCC[C@H]1O 807986318 ICCWKFASUJZRCM-XNRPHZJLSA-N 429.286 4.042 5 20 IIBD Cc1nn(Cc2ccc(C(=O)O[C@@H](C)C(=O)C3(c4ccccc4)CC3)cc2)c(C)c1[N+](=O)[O-] 808497499 RJIQDKOWUHELHE-SFHVURJKSA-N 447.491 4.303 5 20 IIBD C[C@@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)C1(c2ccccc2)CC1 808499660 HTFSWLCIHAXFMY-GOSISDBHSA-N 425.484 4.387 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 809916078 VZCRBBWRICUQTB-UHFFFAOYSA-N 437.283 4.282 5 20 IIBD O=[N+]([O-])c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Br)c1Cl 811832516 SLZUJKHTOLRBCH-UHFFFAOYSA-N 426.075 4.465 5 20 IIBD C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 812874244 YSPQARSCFLGGJN-JTQLQIEISA-N 431.297 4.138 5 20 IIBD CSc1ccc(C(=O)O[C@@H](C(=O)N[C@H]2CCOc3ccccc32)C(C)C)cc1[N+](=O)[O-] 876684378 DEOCJKAFEAGASN-OXJNMPFZSA-N 444.509 4.138 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1c1noc(-c2cc3ccccc3c([N+](=O)[O-])c2N)n1 904710290 NQJQABKTTLWMKH-OAHLLOKOSA-N 425.445 4.452 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)O[C@H](C)c2nc(O)c3c(C)c(C)sc3n2)c1 915442146 FNCYAWAJWWFCND-GFCCVEGCSA-N 431.470 4.304 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)NC(=O)CCc2ccc(-c3ccccc3)o2)cc1[N+](=O)[O-] 916187596 UKLHNECIQLKOEF-UHFFFAOYSA-N 448.884 4.254 5 20 IIBD C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c2ccccc2S1 917859743 XGJWBNRNLDCEQL-LLVKDONJSA-N 443.344 4.437 5 20 IIBD C[C@@H](Oc1ccccc1F)C(=O)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 918635798 UQSUKBPBSNQUKU-SJLPKXTDSA-N 444.459 4.129 5 20 IIBD Cn1c(=O)c2sccc2n2c(COC(=O)c3c4ccccc4cc4ccccc34)nnc12 918867934 KIYGTFBJLLXTOO-UHFFFAOYSA-N 440.484 4.306 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 918876224 XZISVDONLXRLKI-ZIAGYGMSSA-N 436.917 4.492 5 20 IIBD Cc1cc(Cl)ccc1NC(=O)[C@@H](C)OC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 920552130 ONJWGWMQFHZJPB-CYBMUJFWSA-N 442.859 4.141 5 20 IIBD Cc1nc2ccccc2n1CCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 921765404 RLSALMVILZYWTG-UHFFFAOYSA-N 435.528 4.309 5 20 IIBD O=C(Nc1ccc(OC(=O)[C@@H]2CSCCS2)cc1)c1cc([N+](=O)[O-])ccc1Cl 923454620 HPUSYFMNNZRMKC-INIZCTEOSA-N 438.914 4.255 5 20 IIBD Cc1nc(-c2ccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3N)cc2)oc1C 1116948623 MKBJNIDYNKKURJ-UHFFFAOYSA-N 431.246 4.464 5 20 IIBD O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1317994115 OHNBZJMWHOPHLL-UHFFFAOYSA-N 442.928 4.330 5 20 IIBD C[C@H](NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)NCC(F)(F)F 1318346466 KQCWLXHVXGUJKR-NSHDSACASA-N 431.798 4.197 5 20 IIBD Cc1cc(CN2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3SC3CCCC3)CC2)no1 1336411673 ISYLOKNZHMQONJ-UHFFFAOYSA-N 444.557 4.274 5 20 IIBD CC(C)n1nccc1C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1 1785750741 PTLONQSBPORUGB-UHFFFAOYSA-N 437.456 4.027 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(C2(NC(=O)CC3(O)CCC3)CCC2)cc1 1792319549 UUIUXTBJHMBTQC-KPKJPENVSA-N 449.507 4.047 5 20 IIBD O=C(/C=C/C1CCCCC1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 1829834321 HYGXDJHQCBWWBO-ZRFOIIEFSA-N 442.560 4.293 5 20 IIBD CC(C)c1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CCc2cccc([N+](=O)[O-])c2)cc1 1847994599 IEZFMDCZNZNTOC-GOTSBHOMSA-N 435.524 4.166 5 20 IIBD O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCc1coc(-c2cccs2)n1 9332815 ZJZAIANQUAFZBS-UHFFFAOYSA-N 427.360 4.485 5 20 IIBD Cc1ccc(Cl)cc1N1CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 15413682 PSGDGKUJRQHMRK-OAHLLOKOSA-N 427.892 4.490 5 20 IIBD CCOC(=O)C1CCN([C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)CC1 16476398 PXNFUZNKFVFZFN-HXUWFJFHSA-N 445.903 4.203 5 20 IIBD O=C(c1ccccc1)c1ccc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)c([N+](=O)[O-])c1 24212999 GYVAZYRGNVYUQS-UHFFFAOYSA-N 449.894 4.442 5 20 IIBD COc1ccc(Br)cc1CN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C 26225264 JLBKFSROSHLQTQ-UHFFFAOYSA-N 436.306 4.135 5 20 IIBD CC[C@H](C)NC(=O)COC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 26426602 KMMZYSOZUHTELV-LBPRGKRZSA-N 445.522 4.427 5 20 IIBD O=C(c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)N1CCc2ccc([N+](=O)[O-])cc21 29888836 MOSVKNWPFRRHTN-UHFFFAOYSA-N 435.440 4.246 5 20 IIBD CCN(CC)[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccsc1 31984716 VBNFKCRCLSULOA-HSZRJFAPSA-N 433.577 4.416 5 20 IIBD O=C(c1ccc(-c2ccc(Cl)cc2)s1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 33111120 AVSPBZPUFBHMPF-UHFFFAOYSA-N 428.901 4.334 5 20 IIBD CC(C)NC(=O)c1ccc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])c1 45681330 VLTIPXJTIGSSKB-UHFFFAOYSA-N 436.434 4.078 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCCc3ccc(O)cc3)c([N+](=O)[O-])c2)c(C)c1 59577442 NDWZUDWSEPYOLB-UHFFFAOYSA-N 441.509 4.373 5 20 IIBD O=C(Nc1cccc(F)c1)c1cccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 59783729 JKAQNCFPMBBCCT-UHFFFAOYSA-N 437.383 4.010 5 20 IIBD C[C@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 64800972 MJIZHDBEPRAWLA-OKILXGFUSA-N 431.455 4.022 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)NCCc2ccccc2)cc1 65126259 JOBHYGVAKVRQFB-UHFFFAOYSA-N 435.505 4.298 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCC[C@@H]1c1nc2ccccc2s1 68970362 HDIITPAKPGGDAB-LJQANCHMSA-N 438.509 4.018 5 20 IIBD Cc1c(C(=O)NCc2ccc(Oc3ccccc3)cc2)nnn1-c1cccc([N+](=O)[O-])c1 72069651 VOMXQYCBZKPBIP-UHFFFAOYSA-N 429.436 4.206 5 20 IIBD COCCn1c(S[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)nc2cc(Cl)ccc21 78768186 KDDKPSZKYMKLCM-GOSISDBHSA-N 446.916 4.142 5 20 IIBD O=C1[C@@H](Sc2nnc(Cc3cccs3)n2C2CC2)CCN1c1cccc([N+](=O)[O-])c1 78768304 HACIXCGPCCVJLQ-KRWDZBQOSA-N 441.538 4.071 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cccc(OCC(=O)Nc2ccccc2)c1 108381378 HJXXDQARSLCGHH-UHFFFAOYSA-N 434.452 4.053 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)CCNCc1cc([N+](=O)[O-])ccc1OC(F)F 237164829 JYICQEBYYZWYMH-UHFFFAOYSA-N 443.834 4.285 5 20 IIBD CCOc1cc(N2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn34)C2)ccc1[N+](=O)[O-] 301503111 FTXWSUQABATDIO-CYBMUJFWSA-N 435.406 4.439 5 20 IIBD O=C(c1cc(N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)ccc1[N+](=O)[O-])N1CCCC1 301904884 PUHGSDPBKFAXBD-OAHLLOKOSA-N 432.883 4.314 5 20 IIBD COc1cc(NCCC(=O)Nc2cc(Br)ccc2C)c(F)cc1[N+](=O)[O-] 301908201 APUPGZVRLUNGBZ-UHFFFAOYSA-N 426.242 4.254 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N[C@@H]1CCO[C@@H](c2ccccc2)C1 302169097 KXSIPURGMRRTFY-CXAGYDPISA-N 430.404 4.221 5 20 IIBD CC(C)NC(=O)c1ccc(N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c([N+](=O)[O-])c1 302183223 OLYVDWYKZCVLSY-IBGZPJMESA-N 437.418 4.330 5 20 IIBD O=C(N[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 303320842 ABHVYNYEFQBWGR-NRFANRHFSA-N 433.855 4.348 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC(N2CCc3ccccc32)CC1 410274948 HGVNRDUXFTYOKI-UHFFFAOYSA-N 434.521 4.386 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cc(C(F)(F)F)ccc1Br 431764018 YGTHUJZMPAAZLK-UHFFFAOYSA-N 432.196 4.218 5 20 IIBD Cc1ccnc(-c2noc(Cc3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)n2)n1 432683313 YKOVBXOTGZHLHX-UHFFFAOYSA-N 439.435 4.187 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccn1)c1ccccc1[N+](=O)[O-] 434229614 SUNABXIKKKYBQN-CQSZACIVSA-N 440.378 4.213 5 20 IIBD Cc1c(NC(=O)NCc2ccnc(OC3CCC3)c2)cc(Br)cc1[N+](=O)[O-] 435329114 OHMQZYOIOPIGRC-UHFFFAOYSA-N 435.278 4.314 5 20 IIBD CO[C@H](C)c1noc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)n1 435448458 WIPGQCZDHPQGBX-LLVKDONJSA-N 434.499 4.469 5 20 IIBD CCCCOc1ncccc1CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436310417 UQFXLCZVHBZPHQ-UHFFFAOYSA-N 437.446 4.463 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 438806134 ANBMAUBLBQDLCQ-CQSZACIVSA-N 447.296 4.260 5 20 IIBD CCOc1ccc(NS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1F 438806911 FNDFXNQVCBIUDA-UHFFFAOYSA-N 433.255 4.004 5 20 IIBD CCNc1ccc(C(=O)NCc2nc(COC)sc2-c2ccccc2)cc1[N+](=O)[O-] 441146004 UOQSOZHIRHHHQE-UHFFFAOYSA-N 426.498 4.227 5 20 IIBD CC(C)n1cc2c(n1)C[C@@H](NC(=O)c1cc(F)cc3c(=O)c4cccc(F)c4[nH]c13)CC2 444251099 UVNSCJWMCCHCEA-HNNXBMFYSA-N 436.462 4.024 5 20 IIBD COc1cc2c(cc1F)CN(C(=O)c1cc(F)cc3c(=O)c4cccc(F)c4[nH]c13)CC2 444287278 LZUFNPOOCCGKAK-UHFFFAOYSA-N 438.405 4.306 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCc1nc(-c2ccnc(Oc3ccccc3Cl)c2)no1 445202875 IHUUTTCTKFOGSJ-UHFFFAOYSA-N 426.820 4.233 5 20 IIBD COc1ccc([C@@H]2CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1OC 445671407 CZKNTNXZINPYRI-KRWDZBQOSA-N 449.301 4.281 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC(OCCc2ccccc2)CC1 445959534 JNNJKDOJCCZCRV-UHFFFAOYSA-N 447.329 4.150 5 20 IIBD CCSCc1ccccc1C(=O)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 447537214 UBVSJJPIJLDLIB-UHFFFAOYSA-N 439.541 4.077 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2cc([C@@H]3CCCO3)nn2C)cc1[N+](=O)[O-])c1ccccn1 447652484 GDPSQRMGJPURNM-VLIAUNLRSA-N 436.472 4.000 5 20 IIBD Cc1cc(C)cc(-n2ncc3c(=O)n(Cc4ccc([N+](=O)[O-])cc4C(F)(F)F)cnc32)c1 448108680 LEHZTCNSHOJJJI-UHFFFAOYSA-N 443.385 4.174 5 20 IIBD CCc1[nH]nc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)c1Br 448315898 LDBFFYNVBZZTDE-UHFFFAOYSA-N 427.324 4.643 5 20 IIBD CC(C)c1ccc(C[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)C2)cc1 461198330 OIZPFRJMLXZJOT-HXUWFJFHSA-N 437.540 4.260 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC4(CCC4)[C@H]3[C@H]3CCCO3)cc2[N+](=O)[O-])C1 461320335 SFZBLEVFQAWFSN-WOSNLTMFSA-N 427.545 4.251 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N[C@H](C)CCc2cccn2C)c([N+](=O)[O-])c1 462914758 ZGKYPEFUVAKAII-MRXNPFEDSA-N 435.480 4.384 5 20 IIBD Cn1c(CCNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)nnc1-c1ccccc1 463409077 JAQUKNSNAKVAJJ-UHFFFAOYSA-N 442.479 4.106 5 20 IIBD O=C(c1c(Cl)cccc1I)N1CCc2c1cccc2[N+](=O)[O-] 464414584 LZDHIVFCJJGFJD-UHFFFAOYSA-N 428.613 4.056 5 20 IIBD CCSCC[C@H](C)NC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 464696868 QAVGBIZUHWTPSJ-HNNXBMFYSA-N 429.542 4.153 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1nnn(-c2ccc(OC(C)C)cc2)c1CC 466520514 TXGJPGURDIOKJJ-UHFFFAOYSA-N 439.472 4.176 5 20 IIBD COc1cc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)ccc1[N+](=O)[O-] 469254609 VXFCJTVLYHPGIU-UHFFFAOYSA-N 435.845 4.245 5 20 IIBD Cc1cc(CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C2CCCC2)c2ccccc2n1 474165220 SKQMPOIVRYSQBW-UHFFFAOYSA-N 446.507 4.153 5 20 IIBD CSc1ccc(NC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cc1Cl 474777435 RXSZKIVSEXXTRM-UHFFFAOYSA-N 430.873 4.077 5 20 IIBD Cc1nc(-c2ccccc2NC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cs1 477700635 ZJFCLBJKNRBVCF-UHFFFAOYSA-N 447.476 4.133 5 20 IIBD CC1(C)CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C[C@]2(CCCOC2)O1 482856665 MFSJQKDUAJPKEQ-DEOSSOPVSA-N 439.512 4.007 5 20 IIBD Cc1c([C@H](C)NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)cccc1[N+](=O)[O-] 483637158 NVELJNDWEKAKGR-INIZCTEOSA-N 437.587 4.033 5 20 IIBD O=C(Nc1cc(C(F)(F)F)ccc1Br)c1cc2c(cc1[N+](=O)[O-])OCCO2 484801413 ZCBJOUSOWDPYQV-UHFFFAOYSA-N 447.163 4.400 5 20 IIBD CNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 485124652 XKAUBFUUYICDHR-LJQANCHMSA-N 427.526 4.051 5 20 IIBD O=C(CC1CCCC1)N1CCCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 485394846 JZSCPTURLRNLKQ-UHFFFAOYSA-N 426.492 4.415 5 20 IIBD CN(Cc1ccccc1)[C@@H](CNC(=O)c1sc(Br)cc1[N+](=O)[O-])C1CC1 485751037 JJIOTFNXQIXPFA-HNNXBMFYSA-N 438.347 4.059 5 20 IIBD CC(C)N(C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C1CCCC1 486226150 WZKMFHGZLUPXND-UHFFFAOYSA-N 431.514 4.189 5 20 IIBD O=C(N[C@H]1CCC[C@H]1OCc1ccccc1)c1sc(Br)cc1[N+](=O)[O-] 486356132 IGTIOCBWXHXPRL-GXTWGEPZSA-N 425.304 4.287 5 20 IIBD CCOc1c(Cl)cc(NS(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)cc1Cl 488272741 BVPWHLCVCREWLU-UHFFFAOYSA-N 439.248 4.249 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CN(C(C)=O)C(C)C)cc1 489219908 GHEIJTKBSWRQGX-UHFFFAOYSA-N 445.541 4.343 5 20 IIBD Cc1ccc([C@H](C)NC(=O)NCc2ccccc2CN2C[C@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] 489343426 STDSXNKPHGQFFY-OTWHNJEPSA-N 440.544 4.073 5 20 IIBD CC(C)(NC(=O)NCc1ccc(COC2CCOCC2)cc1)c1ccccc1[N+](=O)[O-] 489793099 XCNXWUWUMRTJAT-UHFFFAOYSA-N 427.501 4.025 5 20 IIBD COc1c(F)cc(S(=O)(=O)N(C2CC2)C2CC(c3ccccc3C)C2)cc1[N+](=O)[O-] 491563379 ZSDDQJDNYRIPSY-UHFFFAOYSA-N 434.489 4.150 5 20 IIBD C[C@@H]1[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CCN1Cc1ccccc1 494081661 ZXWWBQJFTUEWET-QRQCRPRQSA-N 447.485 4.352 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CC=C(c2cccc3ccccc23)C1 501564872 FOIAIDAVBKLHGI-UHFFFAOYSA-N 429.476 4.124 5 20 IIBD O=C(NCc1ccc(Oc2cccc(F)c2)nc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 501733355 FVTBIOSUONLYIJ-UHFFFAOYSA-N 433.399 4.037 5 20 IIBD COc1ccc(Oc2cc(CNC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)ccn2)cc1 501930816 RPFWQMFZIOUEQZ-UHFFFAOYSA-N 434.452 4.295 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@@H](Oc2ccccc2Cl)C1 503509726 GWRBZRVHCXMGNA-QGZVFWFLSA-N 432.907 4.488 5 20 IIBD COc1ccc(NC(C)=O)c(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 509813060 DSFCDEKYRZETEK-AWEZNQCLSA-N 449.467 4.382 5 20 IIBD CC(C)N(Cc1cccc(F)c1)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 510130943 ZZUOAUMMYOYQKI-UHFFFAOYSA-N 429.477 4.064 5 20 IIBD Cn1cc(C(=O)Nc2cc(F)c(Br)cc2F)c(-c2ccc([N+](=O)[O-])cc2)n1 510135764 SUUBOGHLBDWQTL-UHFFFAOYSA-N 437.200 4.288 5 20 IIBD O=C(NCc1cc(Cl)c2c(c1)OCCCO2)Nc1cc([N+](=O)[O-])ccc1OC(F)F 510815457 MJKSFSVJFKBPRI-UHFFFAOYSA-N 443.790 4.333 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)c2ccc(Br)cc2Cl)cc1C 511717311 ZPWZTYVYATXACC-UHFFFAOYSA-N 433.711 4.453 5 20 IIBD COc1cc(CN2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c([N+](=O)[O-])cc1OCC(F)F 511785956 LXDLWDYGMQPQCK-CEXWTWQISA-N 448.466 4.252 5 20 IIBD COc1ccc(-n2ccc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)c(C)s3)n2)cc1 512316806 YQBSVMOTAKSDIB-UHFFFAOYSA-N 435.465 4.473 5 20 IIBD Cn1ccnc1[C@@H](NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 512903983 KOGGSTKPWUTUBI-QHCPKHFHSA-N 428.496 4.422 5 20 IIBD CC(=O)N(c1nc(CN2CCOc3ccc([N+](=O)[O-])cc3C2)cs1)c1ccccc1F 515530367 ZQYRQMHXBOMVIU-UHFFFAOYSA-N 442.472 4.270 5 20 IIBD O=C(Nc1cccc(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)c1)c1cccs1 517642901 JBUZNSPDZIUNBI-UHFFFAOYSA-N 434.433 4.415 5 20 IIBD Cc1ccccc1CN(Cc1ccccn1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 517803510 QKEKYBDNPQFTBX-UHFFFAOYSA-N 427.464 4.327 5 20 IIBD Cc1cc(CNC(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)n(C)n1 521079235 NSLGGALOIBKQRK-SFQUDFHCSA-N 447.520 4.494 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@H]1C[C@@H]1c1c(F)cccc1F 522525430 KKDHSIFSVJUZRL-NHYWBVRUSA-N 429.345 4.366 5 20 IIBD COc1ccc(CNC(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1[N+](=O)[O-] 523205357 XENUYNRBKWIQDA-UHFFFAOYSA-N 444.875 4.487 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 525154662 LTRMPCDOQMOBGQ-UHFFFAOYSA-N 429.476 4.298 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(N2CCC(Nc3cccc(C)c3)CC2)c([N+](=O)[O-])c1 525358690 DABQHTXWNHWKOM-UHFFFAOYSA-N 446.573 4.015 5 20 IIBD Cc1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1OC(C)C 525590220 GNDWERRYSKKFRU-HXUWFJFHSA-N 425.485 4.242 5 20 IIBD CC[C@H](C)Sc1ccc(NC(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)c(C)c1 525691028 QSXDMCKSANGOCZ-LBPRGKRZSA-N 437.543 4.002 5 20 IIBD O=C(N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1)c1cc([N+](=O)[O-])cc2c1OCCO2 534333187 VJTQTPBKNRUCFJ-IBGZPJMESA-N 439.855 4.128 5 20 IIBD O=C(N=c1nc(-c2cccnc2)[nH]s1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 535940044 YNKKEQBGDIEXBZ-UHFFFAOYSA-N 435.490 4.334 5 20 IIBD COc1cccc(OC)c1OC1CCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1 538740855 CQRQCSJMNAKDEW-UHFFFAOYSA-N 428.485 4.221 5 20 IIBD O=[N+]([O-])c1cccc2ncnc(NC[C@@H]3CCN(c4cccc(Br)c4)C3)c12 541591730 WBSRIGQJDRYQHZ-ZDUSSCGKSA-N 428.290 4.239 5 20 IIBD C[C@H](NC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)[C@H]1CCOC1 543081279 RWAVVXVGSQLNTN-JSGCOSHPSA-N 437.855 4.404 5 20 IIBD COc1ccc(-c2noc(CCCc3nc(Cc4ccc([N+](=O)[O-])c(C)c4)no3)n2)cc1 546559650 HMHJILIJUREONJ-UHFFFAOYSA-N 435.440 4.111 5 20 IIBD COc1ccc2c(c1)OC[C@@H]2Cc1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 547171064 KKWPPFLPJYUKPQ-LBPRGKRZSA-N 446.257 4.058 5 20 IIBD CCC(=O)N1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CC1 547341048 CEIFERSDOUWUCP-UHFFFAOYSA-N 447.944 4.484 5 20 IIBD C[C@@H](CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])Oc1ccccc1Br 553608821 PHLCRQNGWAFIGW-AWEZNQCLSA-N 436.306 4.009 5 20 IIBD Cc1nc2cc(CNC(=O)Cn3c4ccccc4c(=O)c4ccccc43)ccc2n1C1CC1 559286941 DESFUBDVNWSIJH-UHFFFAOYSA-N 436.515 4.464 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCN(Cc4c(C)noc4C)CC3)c([N+](=O)[O-])c2)cc1 559717228 XXXMTTBZDVTBPE-UHFFFAOYSA-N 449.511 4.083 5 20 IIBD COc1ccc(CNC(=O)Nc2ccc(OC(F)F)cc2OC(F)F)cc1[N+](=O)[O-] 559960261 AXZYHKLGKCDOKZ-UHFFFAOYSA-N 433.314 4.128 5 20 IIBD Cc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc2)c([N+](=O)[O-])c1 560846909 GLMKCXMTBDFJFQ-UHFFFAOYSA-N 426.450 4.027 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(Cc3cccc(C(F)(F)F)c3)no2)c1N1CCOCC1 563835450 NOLREULIYKICRM-UHFFFAOYSA-N 434.374 4.091 5 20 IIBD CN(C(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C1c2ccccc2-c2ccccc21 565122669 JHMQTYGQQXZDBX-UHFFFAOYSA-N 443.503 4.262 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](Cc3ccc(OC)cc3)C2)cc1OC 566594010 RKALSBXFBRKSFL-KRWDZBQOSA-N 428.485 4.106 5 20 IIBD C[C@@H](C(=O)N[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 568948094 RZDFQHNXJVIGBP-OPAMFIHVSA-N 438.505 4.008 5 20 IIBD NC(=O)c1ccc(CN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C2CC2)c(F)c1 571709484 MOBNWQDANLWWDB-UHFFFAOYSA-N 448.454 4.381 5 20 IIBD CNC(=O)c1cc(Oc2ccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2F)ccn1 572688325 ICPTXHIXGOJBFO-UHFFFAOYSA-N 444.806 4.187 5 20 IIBD CC[C@H](C)N[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccco1 572750506 AYTSGKSJCOTVOB-RBZFPXEDSA-N 439.462 4.412 5 20 IIBD CC(C)Oc1ccc([C@@H](CN[C@@H](c2cccc([N+](=O)[O-])c2)c2nccn2C)N(C)C)cc1 577785061 SJVRVDOZSCGFPJ-PKTZIBPZSA-N 437.544 4.097 5 20 IIBD CCc1ccc(OCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c([N+](=O)[O-])c1 578273354 KRBSZGCJUDPCGG-GOSISDBHSA-N 426.469 4.061 5 20 IIBD O=C(NC[C@H]1CCCN(CC(F)(F)F)C1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 590402100 RITBGAQXZAHWGK-OAHLLOKOSA-N 436.434 4.343 5 20 IIBD O=C(N[C@@H]1CC[C@@](O)(C(F)(F)F)C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 590433821 SYCZDMUVBZKPKR-XIKOKIGWSA-N 426.416 4.322 5 20 IIBD Cc1nc(COc2ccccc2C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)no1 590612997 IHHUMXUNEQMLTN-UHFFFAOYSA-N 437.437 4.241 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 603921671 DXZVJUQOINVZTG-UHFFFAOYSA-N 437.475 4.403 5 20 IIBD CC(C)N(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(Br)cn1 603998658 ARXHDLIUJVAZOP-UHFFFAOYSA-N 433.306 4.408 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N(c2ccc(Br)cn2)C(C)C)cc1OC 603998754 QOHBSPUVYJQYEX-UHFFFAOYSA-N 438.278 4.215 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)N(C)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] 604343391 GXTMYVITYKMBAU-UHFFFAOYSA-N 439.418 4.447 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 608964672 LUUSICNLHZLRBE-LJQANCHMSA-N 447.278 4.301 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 609035015 IVZUAHJAMWFGOX-UHFFFAOYSA-N 436.383 4.121 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CCS[C@H](c4ccccc4)C3)cc2)c(C)c1[N+](=O)[O-] 609789990 SLUBWZCVZDTQEZ-NRFANRHFSA-N 436.537 4.387 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](Cc1ccccc1)c1sccc1C 609917376 PISUGBLLJOJPQJ-KRWDZBQOSA-N 432.523 4.236 5 20 IIBD Cc1ccc2nc(COc3ccccc3C(=O)N3CCc4c3cccc4[N+](=O)[O-])cn2c1 609971694 NDZFVQBZTDWCDJ-UHFFFAOYSA-N 428.448 4.333 5 20 IIBD CC(=O)N(Cc1ccc(NC(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])cc1)C(C)C 610095891 HVZRODXMVWMXGO-UHFFFAOYSA-N 441.532 4.284 5 20 IIBD Cc1ccc(NCCCNC(=O)N2CCC[C@H]2c2cccc3c2OCCO3)c([N+](=O)[O-])c1 610102162 ICSWFEHTSLHHAA-IBGZPJMESA-N 440.500 4.023 5 20 IIBD Cn1c(=O)n(C)c2cc(NC(=O)c3cc([N+](=O)[O-])ccc3SC3CCCC3)ccc21 611202495 BTBRXOCRWQZCRD-UHFFFAOYSA-N 426.498 4.072 5 20 IIBD O=C(Nc1ccc(N2CCCC2=O)cn1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611213632 QYQCXLOFLFHTRA-UHFFFAOYSA-N 426.498 4.404 5 20 IIBD CNC(=O)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)cc1 612449979 XAYKQDADMGQUQO-UHFFFAOYSA-N 427.526 4.418 5 20 IIBD COc1cc(CN2CCN([C@H](C)c3nc4ccccc4s3)CC2)c([N+](=O)[O-])cc1F 613286187 YDBMLPJQSJIFFS-CQSZACIVSA-N 430.505 4.231 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCO[C@H](c4ccco4)C3)n2CCc2ccccc2)c1 619824418 RASKESQXXSHUAT-QFIPXVFZSA-N 445.479 4.267 5 20 IIBD COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 726693877 QVFRGWWAWPKYFZ-CYBMUJFWSA-N 425.272 4.311 5 20 IIBD CC(C)Sc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 728834937 GCRPPLIKQHRDOT-INIZCTEOSA-N 429.542 4.423 5 20 IIBD O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H]1COC(=O)C1(c2ccccc2F)CCCC1 730703780 OYEJQEXMBUHFBX-KRWDZBQOSA-N 440.471 4.394 5 20 IIBD C[C@@H](SCc1ccccc1)C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730705551 QCBJZJJWDPYHOA-SJLPKXTDSA-N 428.510 4.065 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)NC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)cc1[N+](=O)[O-] 731288879 WGRYSWZKMWNRSQ-QZTJIDSGSA-N 444.896 4.318 5 20 IIBD CCS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2cccc([N+](=O)[O-])c2C)c1Cl 732369597 OIRJUQNDYFVTBL-UHFFFAOYSA-N 432.281 4.361 5 20 IIBD COc1ccc(CCCC(=O)OC2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)cc1 739380163 JUUSEODHRAKITL-UHFFFAOYSA-N 428.485 4.147 5 20 IIBD CN1CCC(N(C)c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)CC1 742563920 OYORUVDBTSXQFV-UHFFFAOYSA-N 436.434 4.396 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)c2ccc3c(c2)CCC3)c([N+](=O)[O-])cc1OC(F)F 744534484 ROWJYOYLKKUBGY-NSHDSACASA-N 435.379 4.122 5 20 IIBD COc1ccc(OCCOC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])c1 744940083 QHQDOJMJZGRARX-UHFFFAOYSA-N 425.359 4.276 5 20 IIBD COc1ccc(COC(=O)[C@H](C)CC(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] 745226998 RGJDLHJIQFPLRR-GFCCVEGCSA-N 436.258 4.318 5 20 IIBD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1NC(=O)CC(C)C 745294122 KPFHPTXLRYFSTH-OAHLLOKOSA-N 427.457 4.072 5 20 IIBD O=C(COC(=O)c1cnc2ccsc2c1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 745399284 HMEDNECOSIQHRD-UHFFFAOYSA-N 425.344 4.019 5 20 IIBD CCc1cc2oc(=O)cc(COC(=O)CN(C)c3ccccc3[N+](=O)[O-])c2cc1Cl 745614203 FHEQOIZRRUZRPT-UHFFFAOYSA-N 430.844 4.097 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c2ccccc2)cc1 746609592 VHEMVXGMHHZTQQ-QFIPXVFZSA-N 438.411 4.344 5 20 IIBD C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@H](O)c1c(F)cccc1Cl 747996047 ACWFPYVJTHJCJR-FATZIPQQSA-N 438.886 4.186 5 20 IIBD Cc1c(CN2CCSCC2)cccc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 748638401 BMXUJLDSLQIXSQ-UHFFFAOYSA-N 444.513 4.229 5 20 IIBD Cc1c(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748947503 MKPXQHGTPPMBTF-UHFFFAOYSA-N 427.196 4.466 5 20 IIBD C[C@H](OC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](C)c1nc2ccccc2s1 749215803 ABZWMQHGQTUSOH-NEPJUHHUSA-N 445.522 4.131 5 20 IIBD O=C(Cc1csc(-c2ccccc2)n1)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 750434021 OPBCIRXDGQJWKP-UHFFFAOYSA-N 438.509 4.116 5 20 IIBD C[C@H](OC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc(F)ccc1F 751644835 SSQVIHBFGLUWSN-VIFPVBQESA-N 430.816 4.189 5 20 IIBD C[C@H](C(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccc([N+](=O)[O-])cc1F 754427980 AQCARZLOBVCOGH-HNNXBMFYSA-N 435.496 4.087 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccc2c(c1)-c1ccccc1C2 755858144 BOEQVSDVKWEFHF-CQSZACIVSA-N 432.432 4.359 5 20 IIBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1Br)Nc1cc(Cl)ccc1Cl 757838173 MDYVQCVOBQKKNR-UHFFFAOYSA-N 447.072 4.033 5 20 IIBD CSCc1ccccc1NC(=O)c1ccc(I)c([N+](=O)[O-])c1 759352563 RZYVLZQHVBUIAZ-UHFFFAOYSA-N 428.251 4.315 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(CSc2nc[nH]n2)cc1 760513831 CKPXHGJDLOTTTK-UHFFFAOYSA-N 437.437 4.017 5 20 IIBD CN(C[C@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1)C(=O)OC(C)(C)C 760821198 PNHZPQXFQVVUTG-MRXNPFEDSA-N 430.505 4.329 5 20 IIBD CCN(CCC1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)CC1)CC1CC1 760873349 MAQDTIWITVSLHU-UHFFFAOYSA-N 438.366 4.332 5 20 IIBD Cc1oc(-c2ccccc2)nc1Cc1noc(-c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)n1 761493081 YLLAUCRAXILPPA-UHFFFAOYSA-N 428.408 4.385 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)O[C@@H]2CCO[C@H]([C@H]3CCOC3)C2)cc1 763091366 CAVCKGVTHHIMRG-LYLBAIIYSA-N 443.452 4.137 5 20 IIBD CCc1cccc2c(C(=O)[C@H](OC(=O)c3c([N+](=O)[O-])cnn3C)c3ccccc3)c[nH]c12 766971001 FCJVYURZKWMQFG-JOCHJYFZSA-N 432.436 4.153 5 20 IIBD CN(CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)C(=O)OC(C)(C)C 768723950 PGXKFOBZSKLMQF-UHFFFAOYSA-N 442.516 4.146 5 20 IIBD C[C@H](OC(=O)c1coc(C2CCC2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 769625273 VNCRZXVGLSYNIT-VIFPVBQESA-N 427.335 4.053 5 20 IIBD O=C(Nc1cc(C(F)F)ccc1Cl)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 769754281 VLEUDNMWZZAYJA-SNVBAGLBSA-N 427.766 4.317 5 20 IIBD CC1(C)COC(C(C)(C)COC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])OC1 770793631 RNWCLEJYCOBGPE-UHFFFAOYSA-N 435.395 4.118 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)O[C@H]2CCN(CC(F)(F)F)C2)cc1 774671513 QEEQMGHTJHLOFX-INIZCTEOSA-N 440.374 4.189 5 20 IIBD Cc1cccc(NC(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1F 775807206 FWHDJFMBBZEHQK-UHFFFAOYSA-N 430.413 4.062 5 20 IIBD C[C@@H](O)CN(C)Cc1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1 776522067 ZBEMALORPMVYTQ-LLVKDONJSA-N 434.499 4.077 5 20 IIBD Cc1ncc(C(=O)O[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)c(C)n1 777196566 OHDOXFSDDQSLSM-LJQANCHMSA-N 440.843 4.192 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(CNC(=O)OC(C)(C)C)cc2)cc1C 777650339 GAGLWNCGGOMSKK-UHFFFAOYSA-N 435.502 4.037 5 20 IIBD Cc1cc(=O)c(C(=O)OCc2ccc([N+](=O)[O-])cc2Cl)nn1-c1cccc(Cl)c1 778092483 YZPCHMCHLYFYOA-UHFFFAOYSA-N 434.235 4.113 5 20 IIBD COc1cc(COC(=O)/C=C\c2ccc(Cl)nc2)c([N+](=O)[O-])cc1OCC(F)F 780077912 VTFSVTFQAOLHJK-HYXAFXHYSA-N 428.775 4.052 5 20 IIBD C[C@H](OC(=O)[C@@H](c1c(F)cccc1Cl)N(C)C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 780111329 YUKPDPONRRNBIT-APPDUMDISA-N 448.838 4.344 5 20 IIBD CC(C)(C)OC(=O)NCC1(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCCC1 780654799 JYEYJSOKZLEOQZ-UHFFFAOYSA-N 435.524 4.249 5 20 IIBD C[C@@H]1CCCN(Cc2ccc(NC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1 781602828 NZZFIUJFUWQTAC-MRXNPFEDSA-N 426.473 4.306 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N(CCc1ccccc1)Cc1cccnc1 781606909 PTJGHYPBJNYIHA-UHFFFAOYSA-N 434.452 4.102 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1c(-c2cccs2)nc2ccccn12 781640504 HVQCGGYWSNSVAU-UHFFFAOYSA-N 437.437 4.451 5 20 IIBD Cc1ccc([C@@H](NC(=O)COC(=O)c2cccc([N+](=O)[O-])c2Br)C2CC2)cc1 781678237 PZFFSSIOGPKDAP-LJQANCHMSA-N 447.285 4.090 5 20 IIBD CCN(CC)C(=O)C1=C(C)N(Cc2cccs2)C(=O)N[C@H]1c1ccc([N+](=O)[O-])s1 782247043 LHWQZDRPFMVDOJ-KRWDZBQOSA-N 434.543 4.127 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 784529912 GGMDOZRRMSZWHL-INIZCTEOSA-N 449.429 4.080 5 20 IIBD COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 787985411 CZSCJUVINVAJSQ-SNVBAGLBSA-N 437.836 4.439 5 20 IIBD C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(C(=O)c2ccc(F)cc2)CC1 789350480 ZZAAMZASVFMECW-ZDUSSCGKSA-N 433.867 4.309 5 20 IIBD O=[N+]([O-])c1cc(Br)c(F)cc1OCc1nc(COc2ccc(F)cc2)no1 790296602 YPLILYOOTUMWLP-UHFFFAOYSA-N 442.172 4.177 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)C1 794030722 WDXUHTFKKHXIME-OAHLLOKOSA-N 437.924 4.357 5 20 IIBD O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N(Cc2ccccc2)CC2CCOCC2)c1 795827882 DHDOMOHODJCNJP-UHFFFAOYSA-N 442.896 4.005 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@H](C)c3ccc4c(c3)OCO4)CC2)ccc1[N+](=O)[O-] 796909666 FOEFCBVUBRIXDG-OAHLLOKOSA-N 442.468 4.038 5 20 IIBD Cc1cc(OCC(=O)O[C@@H](C)C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)ccc1[N+](=O)[O-] 797495971 WRVXJLXJDTTZLI-HNNXBMFYSA-N 442.468 4.081 5 20 IIBD Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 798501236 HUUZENAYCALZHD-HXUWFJFHSA-N 438.509 4.248 5 20 IIBD Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C(F)(F)F)CC[C@@H]1C 799796785 SMQOTOZZRIEHEI-VHSXEESVSA-N 445.257 4.017 5 20 IIBD Cc1cccc(C(=O)OCC(=O)Nc2ccc(Br)cc2Cl)c1[N+](=O)[O-] 800470344 IEHDDQKVGBPONP-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD C[C@@H](OC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(S[C@H]2CCCCNC2=O)cc1 809049472 WYEZLXUIUDZPDR-YJYMSZOUSA-N 432.473 4.413 5 20 IIBD C[C@@H](N[C@H](C)c1ccc(N2CCCCC2=O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 810129043 RPHOBAKNPLSFQN-HUUCEWRRSA-N 444.919 4.443 5 20 IIBD CC(C)(C)OC(=O)NCCC[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)c1ccccc1 811869601 SISHTZWOMBHTFB-MRXNPFEDSA-N 426.477 4.096 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 813795064 DHCQHFBRMCLNEA-GOSISDBHSA-N 446.548 4.101 5 20 IIBD Cc1c(C(=O)N2CCC[C@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cccc1[N+](=O)[O-] 814428004 IROLBLDLTVFMCY-ZWKOTPCHSA-N 431.533 4.403 5 20 IIBD C[C@H](c1ccc(F)cc1)N1CCC[C@H](OC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1=O 816400332 DIAFTRIVIRSAJV-YJYMSZOUSA-N 425.416 4.124 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 819092063 OBHQSAFVSSPEAD-OAQYLSRUSA-N 429.904 4.452 5 20 IIBD CSc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 823259142 KQDUAALLGJWHIZ-OAHLLOKOSA-N 443.525 4.491 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1 918040787 YTYGUDGHBXZQFO-UHFFFAOYSA-N 440.500 4.330 5 20 IIBD Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)OCc2cc(F)ccc2[N+](=O)[O-])c1 918799383 VPQIUZNCKZKLQJ-UHFFFAOYSA-N 430.461 4.075 5 20 IIBD CCN(C(=O)COC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@@H](C)c1ccc(F)cc1 918875531 OZNKYQFYSQOXQD-LSDHHAIUSA-N 434.489 4.367 5 20 IIBD Cc1ccc(C(C)C)c(OC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)c1 920107198 LIDYUBAYJKTMKR-QGZVFWFLSA-N 446.525 4.033 5 20 IIBD O=C(OCc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 920592917 JDBOQDAEFPGORE-ZDUSSCGKSA-N 427.215 4.137 5 20 IIBD O=C(Nc1cccnc1)c1ccc(OC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 921010001 HEQWJTDTGXFRGH-UHFFFAOYSA-N 446.463 4.064 5 20 IIBD CC(C)(C)c1ccc(C(=O)NCCNC(=O)c2ccccc2C(F)(F)F)cc1[N+](=O)[O-] 1317935656 FYIXWMKAIBBPAD-UHFFFAOYSA-N 437.418 4.071 5 20 IIBD CCOC(=O)c1sc2nc(/C(Cl)=C/c3ccc([N+](=O)[O-])c(O)c3)nc(O)c2c1C 1318081415 FNOFYVSKAOHGFL-POHAHGRESA-N 435.845 4.233 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@@H]3CC3(F)F)CCC2)cc1)c1cc(F)cc([N+](=O)[O-])c1 1790696605 NNSJPCRZCQFJEW-KRWDZBQOSA-N 433.386 4.137 5 20 IIBD CCO/C=C/C(=O)NC1(c2ccc(NC(=O)c3c(F)ccc([N+](=O)[O-])c3C)cc2)CCC1 1790772192 CROHAKBSJLGSQK-SDNWHVSQSA-N 441.459 4.340 5 20 IIBD Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C3)cc1Cl 1792729306 AHMNZOWESIECBO-REPLKXPHSA-N 441.915 4.051 5 20 IIBD Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3ccc([N+](=O)[O-])o3)[nH]n2)c1 1820529012 BADGPFGFWMDOJI-LHUXKHBRSA-N 449.467 4.239 5 20 IIBD O=C(/C=C/C1CCCCC1)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)CC2 1822943885 HLDGBEMLXAOMFJ-OAUONFCTSA-N 444.513 4.007 5 20 IIBD C[C@@H]1C[C@]1(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830224030 OMHSULWYPGGTQM-XLHILCRZSA-N 431.508 4.013 5 20 IIBD C[C@@H]1C[C@@]1(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1832905291 VHLAHDWHYVETND-FCWFQBEHSA-N 439.556 4.274 5 20 IIBD Cc1ccc(NC(=O)[C@@H](Sc2nc3nc(C)cc(C)n3n2)c2ccccc2)c([N+](=O)[O-])c1 8621610 AGCUGFGKWZUUFA-IBGZPJMESA-N 448.508 4.430 5 20 IIBD CCOc1ccccc1Nc1nnc(SCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)s1 9804657 KTECNFOGSCPRED-UHFFFAOYSA-N 445.526 4.344 5 20 IIBD CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccc(OC(F)F)cc1 16587388 QGSSSPXGOGXMBQ-UHFFFAOYSA-N 444.232 4.029 5 20 IIBD Cc1cc(C)c(C(=O)COC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1C 17158580 AEQUTIDOBZOVSA-UHFFFAOYSA-N 435.480 4.421 5 20 IIBD Cc1ccc(-c2nc(CC(=O)O[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])cs2)cc1 17205618 UXZJAXJQENUCMY-CQSZACIVSA-N 425.466 4.140 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1sc(-c2ccc(F)cc2)nc1C 18017870 NLNMHIPGQNGZGQ-UHFFFAOYSA-N 429.429 4.270 5 20 IIBD COC(=O)c1ccc(OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c([N+](=O)[O-])c1 22222732 WCBCDIYTBZXIJD-UHFFFAOYSA-N 433.631 4.359 5 20 IIBD CS(=O)(=O)c1ccc(F)c(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c1 24594487 GSSKVDNNNUKTJH-UHFFFAOYSA-N 443.456 4.002 5 20 IIBD Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c(C)c1 24715063 WJWUGVMURIMHSA-GOSISDBHSA-N 439.512 4.307 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cccc(-c3nncn3C)c2)cc1 25263998 VWFXHUNIDMBLEQ-UHFFFAOYSA-N 445.435 4.444 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(Cl)c3ncccc23)cc1[N+](=O)[O-] 26072284 HDOAMKUJZMLJCH-UHFFFAOYSA-N 440.872 4.328 5 20 IIBD COCCN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1nc2ccccc2s1 26971754 VMMYFIQDZBTTFB-UHFFFAOYSA-N 440.525 4.101 5 20 IIBD Cc1csc(Sc2ccc(C(=O)OCC(=O)N3[C@@H](C)CCC[C@@H]3C)cc2[N+](=O)[O-])n1 28831710 VDZDAUSLXNNLHE-KBPBESRZSA-N 449.554 4.457 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCCN(Cc2ccc(Cl)cc2)CC1 29808437 BDQFDVJQHMMKSS-UHFFFAOYSA-N 430.936 4.175 5 20 IIBD CCOc1cc(C(=O)NCc2ccc(CN3CCC[C@@H](C)C3)cc2)c([N+](=O)[O-])cc1OC 58948687 VTTZHZJEHLQOAW-QGZVFWFLSA-N 441.528 4.164 5 20 IIBD O=C(Nc1ccccc1CN1C(=O)CCC1=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 63325099 PBRRFXWCJQUECB-UHFFFAOYSA-N 445.431 4.288 5 20 IIBD O=C(CCn1cc([N+](=O)[O-])cn1)Nc1sc2c(c1C(=O)c1cccs1)CCCC2 63574894 HSCMOWGXSGGVLN-UHFFFAOYSA-N 430.511 4.053 5 20 IIBD CCCOc1c(Br)cc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1OC 68846252 IIBYUUVDBZMAGE-UHFFFAOYSA-N 439.262 4.416 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1 105787618 CXVYAUMKZLBODS-UHFFFAOYSA-N 433.631 4.359 5 20 IIBD Cc1ccc(-c2nnco2)cc1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 108610100 MAWDUXNIYLLQBJ-UHFFFAOYSA-N 432.440 4.067 5 20 IIBD Cc1cc([C@@H](C)NC(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)o1 109307408 DMFKCQYNXQNXBX-CQSZACIVSA-N 443.481 4.096 5 20 IIBD Cc1ccccc1C1(CN[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCOCC1 195650952 GSGNPZPWOJKCFJ-MRXNPFEDSA-N 431.920 4.222 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(N[C@H]2CCN(c3ccccc3C(F)(F)F)C2)c1[N+](=O)[O-] 302374572 CSQOGPZVMCREOE-ZDUSSCGKSA-N 440.378 4.013 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 303029636 SZWZOBBMZTWDAW-CYBMUJFWSA-N 434.481 4.098 5 20 IIBD CC(C)(C)n1ncnc1CN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 409871504 FGJPDYGKNSMKJB-IBGZPJMESA-N 442.907 4.064 5 20 IIBD COc1cc(CN[C@H]2CCCC[C@]2(C)C(=O)O)ccc1OCc1ccc([N+](=O)[O-])cc1 426750701 PQDFKHIUIPRJCN-GMAHTHKFSA-N 428.485 4.306 5 20 IIBD COc1ccc([C@@H](NCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C(=O)O)cc1F 426822410 BXOMOXXBVWLONU-JOCHJYFZSA-N 439.443 4.426 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccc(Cl)cc1)Cc1cnn(C)c1 431432840 JFCNKQHHMQBDPW-UHFFFAOYSA-N 429.864 4.225 5 20 IIBD C[C@@H]1C[C@H](N(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCN1Cc1ccccc1 431494384 LIWFSWSFQAZNQI-DNVCBOLYSA-N 446.345 4.482 5 20 IIBD CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)c1ccc(C(=O)NC)cc1[N+](=O)[O-] 433431178 RPLGVWGXROFODG-UHFFFAOYSA-N 439.299 4.116 5 20 IIBD CCN(CC)CCOc1ccc(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 436097335 HTNRZVQFSJPKRE-UHFFFAOYSA-N 443.547 4.332 5 20 IIBD CCOc1cc(-c2noc(-c3n[nH]c4ccc([N+](=O)[O-])cc34)n2)cc(Br)c1O 436767657 HAJRGPWIIBVPGK-UHFFFAOYSA-N 446.217 4.055 5 20 IIBD CCCn1ccc2ccc(NC(=O)N3CCN(C(=O)c4ccc([N+](=O)[O-])s4)CC3)cc21 438288692 GWOKMUDTVBKVIL-UHFFFAOYSA-N 441.513 4.011 5 20 IIBD O=C1[C@H](Nc2cccc(C[S@@](=O)c3ccccc3)c2)CCN1c1cccc([N+](=O)[O-])c1 442118591 FWUYKUVRFORMAI-JPZYQRIQSA-N 435.505 4.120 5 20 IIBD NC(=O)N1CCc2ccc(NC(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])cc21 442800805 KSAVIPRWECBURR-UHFFFAOYSA-N 434.477 4.440 5 20 IIBD O=C(c1ccc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1)c1cccc(O)c1 444086222 JGJHMDOVZKTMBF-HSZRJFAPSA-N 434.473 4.419 5 20 IIBD O=C(NC1CCN(C2CCCCC2)CC1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444105933 PQQZRIIHDRUZMG-UHFFFAOYSA-N 439.506 4.486 5 20 IIBD O=C(Nc1nnc(CC(F)(F)F)s1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444255217 YNZHRTZBDZXMJJ-UHFFFAOYSA-N 440.353 4.168 5 20 IIBD O=C(NCCCNc1ccccc1F)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444298284 WOHHQBUKZNBJTL-UHFFFAOYSA-N 425.410 4.331 5 20 IIBD C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 444410882 NQLDBKAKCYDRLD-VLIAUNLRSA-N 426.860 4.036 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 444895193 BCVSJATXIYXTKV-DJJJIMSYSA-N 436.871 4.210 5 20 IIBD COc1cc(CN2CCC[C@@H](c3nccn3C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 446852113 HUUYSJPBKJONSW-LJQANCHMSA-N 436.512 4.296 5 20 IIBD CCCc1c(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cnn1-c1cccc(C)c1 446979558 CZUJJLCXJNRCDA-UHFFFAOYSA-N 430.468 4.479 5 20 IIBD C[C@H]1C[C@@H](c2ccccc2F)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 447036875 HJAQRFRISGKMAJ-ZBEGNZNMSA-N 443.294 4.268 5 20 IIBD O=C(N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1(c2cccc(C(F)(F)F)c2)CCC1 461089599 QRVNACKJALNLFX-INIZCTEOSA-N 434.418 4.143 5 20 IIBD CO[C@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 462402009 SEFWAUZJAKOBRP-CQSZACIVSA-N 439.704 4.221 5 20 IIBD COC(=O)[C@H](C)NC(=O)c1ccc(N[C@H](C)c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 462888477 ODQZZNIWVDOTBM-NEPJUHHUSA-N 439.390 4.078 5 20 IIBD Cc1c(C(=O)Nc2cc(C(C)C)nn2-c2ccccc2)nnn1-c1cccc([N+](=O)[O-])c1 464674136 YCMGLXFKVDCVJE-UHFFFAOYSA-N 431.456 4.045 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N(CCc1ccc(Cl)cc1)CC1CC1 465134380 JTHPQLOCKZXFJC-UHFFFAOYSA-N 430.888 4.043 5 20 IIBD O=C(Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1)c1ccc(F)cc1[N+](=O)[O-] 466427194 VVPSIKNUAYXUJH-UHFFFAOYSA-N 448.498 4.304 5 20 IIBD CS(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2OCC2CCC2)cc([N+](=O)[O-])c1 468185419 AFFLVBIQSCSAHP-UHFFFAOYSA-N 438.889 4.083 5 20 IIBD CCOc1c(Cl)cc(NC(=O)[C@H](CC)Nc2c([N+](=O)[O-])c(C)nn2C)cc1Cl 468832258 DSZZBYJEWLGLGV-ZDUSSCGKSA-N 430.292 4.171 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCc1nc2ccccc2s1 470771155 FBOTXQRSRLSQBN-UHFFFAOYSA-N 432.310 4.032 5 20 IIBD O=C(c1cc(I)ccc1Cl)N1CCc2cc([N+](=O)[O-])ccc21 471148455 SQELJHOZVNHJPB-UHFFFAOYSA-N 428.613 4.056 5 20 IIBD Cc1cc(-c2noc([C@H](C)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)ccc1F 472367494 HXNCLFMOQIKDGY-AWEZNQCLSA-N 439.447 4.184 5 20 IIBD C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)c2)C1 472723047 FFNLZYZZOZIMNJ-JLTOFOAXSA-N 429.448 4.406 5 20 IIBD Cc1c(NC(=O)C(=O)Nc2ccc(N3CCCCC3)c3ncccc23)cccc1[N+](=O)[O-] 473051423 PHZKJUKIFMERKN-UHFFFAOYSA-N 433.468 4.019 5 20 IIBD COC(=O)c1ccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1F 474544887 XOJTZLLRZWUZSM-UHFFFAOYSA-N 432.351 4.270 5 20 IIBD O=C(NCc1ccnc(OCC(F)(F)F)c1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 475219576 KASWJDIQVLYJKF-UHFFFAOYSA-N 438.284 4.271 5 20 IIBD CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 475944020 BOYHDVDVGBLJMP-MSOLQXFVSA-N 429.542 4.049 5 20 IIBD CCn1ncc2ccc(NC(=O)N[C@H](CC(=O)OC(C)C)c3ccccc3[N+](=O)[O-])cc21 477417512 LDTPFKHWQGPFAX-GOSISDBHSA-N 439.472 4.169 5 20 IIBD CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(OC)cc1 481685776 QHPKLVQKDQZXJE-IRLDBZIGSA-N 425.485 4.322 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccc(C)cc2)cc1SC 482056154 YGUWPHQMGHCYFD-KRWDZBQOSA-N 446.525 4.447 5 20 IIBD O=C(Nc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 482080912 INBPUGLNZILWRZ-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD CCOC(=O)c1csc([C@H]2CCCN2C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)n1 482927416 LQFBGIXPUQCFSS-HXUWFJFHSA-N 447.516 4.292 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CN[C@H](CO)c1ccc(Br)cc1C(F)(F)F 483255542 KPPNHYORDHLFFH-OAHLLOKOSA-N 449.223 4.208 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(NC(=O)c2ccco2)c1 486735471 WBTOBXZWVNVVTG-UHFFFAOYSA-N 433.342 4.389 5 20 IIBD O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1O)C1(S(=O)(=O)c2ccccc2)CCCCC1 486848728 YMHQVJDPOOLCII-UHFFFAOYSA-N 438.889 4.069 5 20 IIBD CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 487712299 XZYRPXKAMRSADY-IRXDYDNUSA-N 427.526 4.123 5 20 IIBD Cc1ccc(-n2cnnc2SCC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1C 488045341 RFSJNSWWLVIUDG-MRXNPFEDSA-N 425.514 4.070 5 20 IIBD Cc1ccc([C@H](C)NC(=O)Cc2csc(NC(=O)c3cccs3)n2)cc1[N+](=O)[O-] 488116200 XCUAGCNOOWMHSE-LBPRGKRZSA-N 430.511 4.093 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])N[C@H]1CSc2ccc(Br)cc21 489654126 KCCQNBMSFFILHD-LBPRGKRZSA-N 425.329 4.413 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1nnc(-c2ccccc2)o1 490007218 HGFWBDYXYYBOKU-UHFFFAOYSA-N 426.498 4.365 5 20 IIBD O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CC[C@@H](O)C12CCCC2 495530500 NCKAQQFTZFECMD-HXUWFJFHSA-N 429.904 4.380 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)cc1[N+](=O)[O-] 498415736 YVCXDCKDPQGMEG-UHFFFAOYSA-N 432.502 4.112 5 20 IIBD CCc1nc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)nn1-c1c(Cl)cccc1Cl 499305930 XGGJCZNNVSJYCS-UHFFFAOYSA-N 432.267 4.248 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc3oc(C(F)(F)F)nc23)cc1OC 499541659 NIPFRGGUESWHMK-UHFFFAOYSA-N 425.319 4.414 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H]1C(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 500586519 URBSWQDIEYAJCV-GUDVDZBRSA-N 437.521 4.108 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1NC1CCN(C)CC1 502621930 CLFVSXMDLQFFPS-CQSZACIVSA-N 432.908 4.160 5 20 IIBD CCSc1cccc(NC(=O)[C@@H](CCSC)NC(=O)c2cccc([N+](=O)[O-])c2)c1 504146886 WPDFLMPXUDWSOO-GOSISDBHSA-N 433.555 4.197 5 20 IIBD O=C(Nc1ccc(Br)cc1)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 504522261 SXQCJKOSJSXRBV-UHFFFAOYSA-N 432.318 4.251 5 20 IIBD O=C(CC[S@@](=O)Cc1ccc(Br)c(Cl)c1)Nc1ccccc1[N+](=O)[O-] 507691170 BYNXFTCQWONNKG-RUZDIDTESA-N 445.722 4.288 5 20 IIBD Cc1c(Br)cc(C(=O)N2C[C@H]3CCCN3Cc3ccccc32)cc1[N+](=O)[O-] 510635485 RMEQNPTXXCJRDL-MRXNPFEDSA-N 430.302 4.291 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)c1ccc(F)c2ccccc12 511771591 JGMYKWBYKNWUFQ-CYBMUJFWSA-N 425.416 4.102 5 20 IIBD COc1cccc(CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2CCCO2)c1 512068006 OKYYFOJJCZCSCX-HSZRJFAPSA-N 436.512 4.185 5 20 IIBD CC(C)(C)NS(=O)(=O)c1cccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 512590120 IOPNLAJVHXYXKE-UHFFFAOYSA-N 446.554 4.407 5 20 IIBD CN(CCCc1nc2ccccc2[nH]1)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 517661859 BVGUVJFVXQBWEU-UHFFFAOYSA-N 436.390 4.117 5 20 IIBD C[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(OCC(F)(F)F)cc1 517881018 DXQSIARJDQIZBY-ZDUSSCGKSA-N 434.374 4.213 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCCC[C@H]2c2nc3ccccc3n2C)c1C 517893596 IXHDVXPUQDIYJA-IBGZPJMESA-N 428.514 4.014 5 20 IIBD C[C@@H](Nc1ccc(-c2nc(CC(=O)Nc3ccccc3)no2)cc1[N+](=O)[O-])c1ccccn1 518876108 QUONCUYOCSSKIS-OAHLLOKOSA-N 444.451 4.394 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1c2ccccc2n2c(C)nc3ccccc3c12 518925327 HWFNQXCIBZEZAR-UHFFFAOYSA-N 428.452 4.391 5 20 IIBD O=[N+]([O-])c1ccccc1-c1ccc(CNc2ccc(N3CCCS3(=O)=O)cc2)s1 522284044 ZGTOILDMDSMFLE-UHFFFAOYSA-N 429.523 4.475 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 523509348 ZEVFXBJRLLAXPR-INIZCTEOSA-N 437.265 4.318 5 20 IIBD O=C(NCCc1nc2cc(Cl)ccc2s1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 531513097 XZLZIZNXRBAFOA-UHFFFAOYSA-N 430.917 4.431 5 20 IIBD COc1ccc(CNc2cnn(-c3ccccn3)c2)cc1OCc1ccc([N+](=O)[O-])cc1 535785299 XOTXOTITKRTAOI-UHFFFAOYSA-N 431.452 4.375 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 536209461 KHUYNPOGKVQEQK-UHFFFAOYSA-N 447.856 4.007 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CCCc4ccc(F)c(F)c43)cc2)c(C)c1[N+](=O)[O-] 539897163 YHVNPOZWZMVXIG-UHFFFAOYSA-N 426.423 4.328 5 20 IIBD CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 542002991 GJMQDYDNMIRWLN-UHFFFAOYSA-N 445.419 4.399 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCC1(c2ccc(F)cc2)CCOCC1 542222863 ZAADTYDQHXWXNB-UHFFFAOYSA-N 438.908 4.344 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 542759368 YKSMZKUNBNNWPM-BBRMVZONSA-N 449.287 4.239 5 20 IIBD O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 543814907 RZOFLOPEAQPYMY-UHFFFAOYSA-N 444.181 4.336 5 20 IIBD CCNC(=O)N1CCc2ccc(NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])cc21 544048467 YGQQEVTYBWRVDC-UHFFFAOYSA-N 434.905 4.071 5 20 IIBD COc1ccc2oc([C@H](C)N[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)c(C)c2c1 544482008 JMLKSXSVISSNDF-KBPBESRZSA-N 427.457 4.344 5 20 IIBD CCN1CCN(c2ccc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)c(C)c2)CC1 545112665 DSWIZPDIHQLOBB-UHFFFAOYSA-N 428.508 4.101 5 20 IIBD O=C(Nc1cccc(-c2noc(-c3ccn(-c4cccc([N+](=O)[O-])c4)n3)n2)c1)C1CCC1 546275072 YNAXFBUWEDKOEF-UHFFFAOYSA-N 430.424 4.236 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H]2CCN(c3cccc(Br)c3)C2=O)n1 546402165 NXFNHQONLUHFLR-INIZCTEOSA-N 443.257 4.236 5 20 IIBD CSc1ccc(-c2noc(-c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)n2)c(Cl)c1 546511192 ZVZAIGWUMIQXHG-UHFFFAOYSA-N 425.875 4.091 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@@H](Cc4ccccc4)C3)n2C[C@@H]2CCOC2)c1 549708246 PCHKBCVOFINSBK-SFTDATJTSA-N 447.539 4.349 5 20 IIBD O=[N+]([O-])c1ccccc1OC[C@H](O)CNC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 551818582 WXWVZLHNVNYLBQ-CTNGQTDRSA-N 431.492 4.238 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCO[C@H](c4ccccc4)C3)n2C[C@H]2CCCCO2)c1 559217039 ZOMPTZZBNJFXRF-YADHBBJMSA-N 449.511 4.000 5 20 IIBD C[C@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F)[C@H]1OCCc2sccc21 559755040 BBVMTKBVVZJLMF-YVEFUNNKSA-N 428.432 4.497 5 20 IIBD CN(C)S(=O)(=O)c1ccc(Nc2ccc3nc(C(F)F)sc3c2)c([N+](=O)[O-])c1 561449982 RNNKODMSOSVYPK-UHFFFAOYSA-N 428.442 4.136 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c1 565962911 VCOCJUKOWVHXHY-NSHDSACASA-N 429.420 4.489 5 20 IIBD Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)n[nH]c1-c1ccccc1 571508961 LNFCHCVVGAEYNA-UHFFFAOYSA-N 426.376 4.113 5 20 IIBD CC(C)COC[C@H](NCc1cc(I)cc([N+](=O)[O-])c1)c1ccco1 572684358 BRVPUZXBWPUGCV-INIZCTEOSA-N 444.269 4.296 5 20 IIBD C[C@H](C(=O)Nc1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)c1cccc([N+](=O)[O-])c1 578615462 IVTPGEFGBBVOHY-ZDUSSCGKSA-N 433.395 4.277 5 20 IIBD CCS(=O)(=O)c1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)cc1 579337118 DVYFJLNWHCSPOQ-CQSZACIVSA-N 429.473 4.763 5 20 IIBD C[C@@H](C(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1)c1cccc([N+](=O)[O-])c1 580610215 OOTZWQQOPAWZJY-QGZVFWFLSA-N 436.537 4.166 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ccc2ncsc2c1 580633444 KOEZVMZAKBAXCI-LBPRGKRZSA-N 426.498 4.318 5 20 IIBD Cc1cn(-c2ccccc2)nc1-c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 581037635 OWHAZYTZURZOOC-UHFFFAOYSA-N 440.257 4.492 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O 590539174 VVRYDSWGWTYSTJ-PHRNICBLSA-N 439.350 4.458 5 20 IIBD O=C(NCc1ccc(F)c(F)c1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 603517574 KFCPZBZGTUPLNI-UHFFFAOYSA-N 443.372 4.425 5 20 IIBD COCCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cn1 603770730 CYJZRULKZJGRKU-UHFFFAOYSA-N 439.493 4.096 5 20 IIBD COC(=O)c1cc(F)ccc1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 603772430 RUEWLTIYTJFDGI-UHFFFAOYSA-N 432.351 4.270 5 20 IIBD Cc1nc(-c2ccc(CNC(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)s2)cs1 603801790 MZEKYDLWLAVVMB-UHFFFAOYSA-N 443.554 4.120 5 20 IIBD CC(C)Cc1ccc(C(=O)C2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)cc1 603857012 LQDYGPFFRHTZKV-UHFFFAOYSA-N 444.553 4.296 5 20 IIBD CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1Cl 603982337 HDEBMMWTYRDWSB-UHFFFAOYSA-N 439.921 4.276 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)c(Cl)c1 604024173 NMEAJRDAUVPCIP-UHFFFAOYSA-N 445.856 4.375 5 20 IIBD COc1cccc2c1OCC[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 604571017 RBUVULSKZBMEOW-NRFANRHFSA-N 433.464 4.469 5 20 IIBD Cc1nn(CCC(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCC2)c(C)c1[N+](=O)[O-] 608805901 QWKRMNKQNWQFSJ-UHFFFAOYSA-N 438.450 4.445 5 20 IIBD O=C(Nc1cc(-c2ccc(Cl)cc2)nn1CCO)c1cc2cc([N+](=O)[O-])ccc2o1 608944970 LMPYAZYPYWAZRW-UHFFFAOYSA-N 426.816 4.103 5 20 IIBD Cc1ccccc1CN(Cc1ccccn1)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 609153894 FGEWRIHZORTJEV-UHFFFAOYSA-N 427.464 4.327 5 20 IIBD O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC(c2nc(-c3ccccc3)cs2)CC1 609521876 UQPAMLWDPIOIQR-UHFFFAOYSA-N 437.477 4.467 5 20 IIBD COc1cc(C)c([C@@H](C)NC(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])cc1OC 610090052 IHYHOWRPNRYATP-MRXNPFEDSA-N 430.505 4.091 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)NCCOc1ccc2cc(Br)ccc2c1 610225602 PTWVTEUQIXYRKR-UHFFFAOYSA-N 429.270 4.248 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(C[C@H](O)COc3ccc(Cl)c(Cl)c3)CC2)cc1 610336873 TYPOYHWIFPBIJP-HNNXBMFYSA-N 441.311 4.185 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NCc1ccccc1Oc1cccc(F)c1 610396685 FGEZNQZIGYYCDC-UHFFFAOYSA-N 438.411 4.156 5 20 IIBD CC(C)(C)OC(=O)c1ccccc1C1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 615295927 JMUZYAMQDLNSIC-UHFFFAOYSA-N 426.469 4.276 5 20 IIBD Cc1cc(OCC(=O)N2CCc3[nH]c4c(Br)cccc4c3C2)ccc1[N+](=O)[O-] 619542599 NBYVITLTALKYKN-UHFFFAOYSA-N 444.285 4.111 5 20 IIBD O=C(COC(=O)CCc1ccccc1OC(F)(F)F)Nc1ccc(Cl)cc1[N+](=O)[O-] 727554551 NAVWEDBZQGMVHG-UHFFFAOYSA-N 446.765 4.261 5 20 IIBD COCCSc1ccc([C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 728935043 PQBKFTNYCOWHRA-GFCCVEGCSA-N 430.935 4.026 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)OCCc1cccnc1 729803292 CUMMCAMZFHVCFB-UHFFFAOYSA-N 428.448 4.171 5 20 IIBD COc1ccc(/C=C(\c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 730151444 KMMLSOKZXUPSFJ-KGENOOAVSA-N 435.461 4.452 5 20 IIBD O=C(NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 730690760 CVUSEYODXOCCHQ-QWRGUYRKSA-N 449.699 4.164 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)OC[C@@H]2CCCN(Cc3ccccc3)C2)cc1OC 734297830 FPYRKPLIIUNDTD-GOSISDBHSA-N 428.485 4.071 5 20 IIBD Cc1oc(-c2ccccc2F)nc1C(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 739174476 YQGMLUBYECVBIW-UHFFFAOYSA-N 440.431 4.166 5 20 IIBD COc1cc(N2CCC(OC(=O)C(C)(C)Oc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] 739386379 URYNKAGVGFVGKD-UHFFFAOYSA-N 432.448 4.112 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@H](Cc1ccccc1)c1ccccc1F 741102826 JVMCOSZNYRTDDV-LJQANCHMSA-N 441.846 4.426 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 741985168 CGHAKIPPOLKASI-ZWKOTPCHSA-N 446.548 4.008 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCCOc1ncc(C(F)(F)F)cc1Cl 742411633 FVYMYAIEODOAPO-UHFFFAOYSA-N 446.769 4.110 5 20 IIBD C[C@@H]1C[C@H](c2cccc(F)c2)N(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)C1 742419066 QOBWZRKWBUFFMW-FOIQADDNSA-N 433.505 4.106 5 20 IIBD COC(=O)Nc1cc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])ccc1F 743258252 OXADANOKBAPDKE-UHFFFAOYSA-N 438.220 4.020 5 20 IIBD O=C(O[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccc(Cl)cc1[N+](=O)[O-] 744620340 AWJIZKIZYWGOJE-MRXNPFEDSA-N 440.786 4.202 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)[C@](C)(O)Cc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 745145147 IDPKSMPSKHZNRE-WIOPSUGQSA-N 448.475 4.120 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@H](O)c1cc2ccccc2s1 751490423 FCMDTUAICQLWAF-ZDUSSCGKSA-N 447.321 4.128 5 20 IIBD COc1cc(N)c([N+](=O)[O-])cc1C(=O)O[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 753456101 YSVAJOCQNXFWNM-CQSZACIVSA-N 435.436 4.356 5 20 IIBD CCOc1ccc(C2(CNC(=O)NCc3cc([N+](=O)[O-])ccc3Cl)CCOCC2)cc1 756929189 QZZSUAAIXXAKHA-UHFFFAOYSA-N 447.919 4.195 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@H](O)c1cccc(OCc2ccccc2)c1 759420212 MWTGYHCXOYQZHB-DEOSSOPVSA-N 445.475 4.047 5 20 IIBD C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 759853013 MXFMHWJDGUVGLT-LLVKDONJSA-N 439.251 4.292 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@H](c2nc(-c3cc(Cl)c4c(c3)OCCCO4)no2)C1 761418582 ZWXJJZXTUGSAHE-KRWDZBQOSA-N 442.815 4.325 5 20 IIBD Cc1cc(Cc2noc(C3CCN(C(=O)/C=C\c4ccccc4)CC3)n2)ccc1[N+](=O)[O-] 762296531 CPDAXNHBIJUKRK-NTMALXAHSA-N 432.480 4.296 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCSCC2)c(C)c1 764216327 CFAWKNUMLISDEM-UHFFFAOYSA-N 447.582 4.447 5 20 IIBD CON(Cc1ccccc1)C(=O)c1cc(C(=O)N(Cc2ccccc2)OC)cc([N+](=O)[O-])c1 764343130 QHWDHPJBQLIPHC-UHFFFAOYSA-N 449.463 4.002 5 20 IIBD Cc1ncc2c(n1)CCC[C@H]2Nc1ccc([N+](=O)[O-])c(N[C@@H]2CCCc3nc(C)ncc32)n1 764835361 QHBBFXXEDYGNJP-WOJBJXKFSA-N 446.515 4.166 5 20 IIBD COc1ccc(SCCC(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cc1OC 769496294 CLCGRLRXYLQZDV-UHFFFAOYSA-N 428.470 4.123 5 20 IIBD CCCn1cnnc1COC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 770904471 IXBMAAVMHRRFHU-UHFFFAOYSA-N 429.864 4.219 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)cc1SC 771305294 YIGWNDSAWKXWLW-JOCQHMNTSA-N 440.518 4.318 5 20 IIBD O=C(Nc1ccc(COc2ccccc2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 774030246 HBSPWWQZSWPBAL-UHFFFAOYSA-N 433.464 4.263 5 20 IIBD Cc1csc(Sc2ccc(C(=O)OCc3nnc(C)n3C3CC3)cc2[N+](=O)[O-])n1 774891016 VVYQBGZSHRWJBV-UHFFFAOYSA-N 431.499 4.103 5 20 IIBD COCC1=CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)CC1 775387394 AECFSXYMQPZSIA-UHFFFAOYSA-N 449.551 4.473 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)cc1F 777910861 IPDJIRDENGEYLG-CQSZACIVSA-N 445.852 4.103 5 20 IIBD Cc1cc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)n(-c2ccc(C(F)(F)F)cn2)n1 777982688 RXRBGCDFJOWHQF-UHFFFAOYSA-N 441.316 4.233 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NC(=O)c1ccc(O)c([N+](=O)[O-])c1 779354539 BBNMEIASTVMNQZ-KRWDZBQOSA-N 427.457 4.455 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1 779897385 WEFDFACDRYJEDF-UHFFFAOYSA-N 437.562 4.474 5 20 IIBD COc1cc(COC(=O)c2cccc([C@H]3CCOC3)c2)c([N+](=O)[O-])cc1OCC(F)F 780078249 IQMVDCMVURFBLP-HNNXBMFYSA-N 437.395 4.108 5 20 IIBD Cc1cc(C)n(-c2ccccc2CNC(=O)c2cccc([N+](=O)[O-])c2Br)n1 782173193 ZBXVAFDLJATCOR-UHFFFAOYSA-N 429.274 4.090 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 782511664 DIEUYVNPHKXQQR-MJGOQNOKSA-N 428.489 4.224 5 20 IIBD C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 783318274 ZAIVIZALBHIVIC-JTQLQIEISA-N 429.782 4.425 5 20 IIBD O=[N+]([O-])c1ccc(OCc2nc(-c3ccc(-n4cc(Cl)cn4)c(F)c3)no2)cc1F 784213349 FWFXNBRPOCHZID-UHFFFAOYSA-N 433.758 4.341 5 20 IIBD COc1cc(NC(=O)COC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c(OC)cc1Cl 784256565 JQYQYATXVQLWSZ-UHFFFAOYSA-N 436.848 4.184 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)O[C@H](C)c2ccncc2)cc1 785516212 XVEPEXBOYAZXMS-OAHLLOKOSA-N 441.465 4.017 5 20 IIBD CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)[C@@H](O)c1c(F)cccc1F 786415667 XYRFVFICVSPTJW-NVXWUHKLSA-N 443.244 4.186 5 20 IIBD COC(=O)[C@@H](OC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccsc1 788927959 ZMXXWIZPFRBKLT-YJYMSZOUSA-N 441.465 4.296 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 790928348 TZTCHCBGHNKFJX-QGZVFWFLSA-N 425.825 4.112 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)cc1[N+](=O)[O-] 793044050 YMZBDRSMTLXJDP-UHFFFAOYSA-N 449.511 4.113 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 795095873 CAILJXCJZGGVON-HFTRVMKXSA-N 443.504 4.037 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N2CCC(n3c(C)nc4ccccc43)CC2)cc1[N+](=O)[O-] 795273965 SFWTYCNBTZZYRM-UHFFFAOYSA-N 448.932 4.241 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 799928832 VVSRXUZXBKCGRY-UHFFFAOYSA-N 428.747 4.129 5 20 IIBD CCc1cc(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])c2c(CC(C)(C)C)noc2n1 800322395 ALSUVOHFBBCGSS-UHFFFAOYSA-N 440.456 4.078 5 20 IIBD COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 800564580 LDGZRRUWLBSFFL-UHFFFAOYSA-N 436.399 4.303 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C 801052110 XJNROWDQCCPTFM-MJGOQNOKSA-N 433.549 4.315 5 20 IIBD COc1ccc(CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)[C@@H](C)C2CC2)c(OC)c1 801062795 SUJRHZJFBXCFTR-AWEZNQCLSA-N 443.456 4.270 5 20 IIBD O=C(OCc1nc2cc(Br)ccc2o1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 803485178 CGSGLQMFGINTHQ-UHFFFAOYSA-N 443.213 4.041 5 20 IIBD CCOc1ccc([C@H](O)C2CCN(c3c(Br)cncc3[N+](=O)[O-])CC2)cc1 812482617 LIANISYLIYGPSN-IBGZPJMESA-N 436.306 4.101 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c(C)c([N+](=O)[O-])c1 813228160 IVOHJOSLRGPXGU-UHFFFAOYSA-N 428.184 4.157 5 20 IIBD Cc1c(CNC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)cccc1[N+](=O)[O-] 813734136 QVRJYUGCHOQIPT-KRWDZBQOSA-N 432.521 4.025 5 20 IIBD CCc1sc(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1Br 815335914 DIRFVQGFYISGPB-UHFFFAOYSA-N 438.259 4.388 5 20 IIBD Nc1ccc(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)cc1[N+](=O)[O-] 819919564 GHWVFTBVZUNBKD-UHFFFAOYSA-N 433.287 4.244 5 20 IIBD Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c(C)c1 846287158 UEIJSEVTPDKKMJ-QGZVFWFLSA-N 425.485 4.304 5 20 IIBD CCOC(=O)C1CCN(C(=O)c2ccc(NCc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 864012341 GXYJWOQQFLWFQN-UHFFFAOYSA-N 445.903 4.276 5 20 IIBD C[C@@H](NC(=O)COC(=O)CCOc1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 915447605 BKKSCUNMSRHTSO-GFCCVEGCSA-N 441.267 4.091 5 20 IIBD CCNc1ccc(C(=O)O[C@H](C)C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1[N+](=O)[O-] 916470747 UDRPXLDTRZJTKV-CQSZACIVSA-N 441.484 4.439 5 20 IIBD O=C(Oc1ccc(N2CCOC2=O)cc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 917080696 MPAHBMCIWTYKAZ-UHFFFAOYSA-N 433.420 4.383 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 918685739 PTEWHLLFGFOPKK-TXEJJXNPSA-N 439.356 4.398 5 20 IIBD O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 921035238 ABYPDNMDGKQDBW-MRXNPFEDSA-N 444.482 4.120 5 20 IIBD CCc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)n2)cc1 1248398547 DWZOMXHKEDJZJB-LBPRGKRZSA-N 427.486 4.070 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 1317872249 RYZFYVYKFVWYLR-LBPRGKRZSA-N 431.399 4.484 5 20 IIBD Cc1c([N+](=O)[O-])cnc(NCc2ccc(-n3cnc4ccccc43)nc2)c1Br 1320382515 LXHNJEVIAOGTNL-UHFFFAOYSA-N 439.273 4.407 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCc1nnc(-c2cn(-c3ccccc3)nc2-c2ccccc2)o1 1322739375 YTPRJTRNDYSORM-UHFFFAOYSA-N 441.451 4.245 5 20 IIBD O=[N+]([O-])c1ccc(CN(c2ccccc2)S(=O)(=O)c2c[nH]c(C(F)(F)F)c2)cc1 1324510426 HQNYWKIFDNQGIF-UHFFFAOYSA-N 425.388 4.337 5 20 IIBD COCC1(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccccc4[N+](=O)[O-])CCC3)cc2)CC1 1786353806 RBURYAIJQQUGRZ-KPKJPENVSA-N 449.507 4.169 5 20 IIBD Cc1ccc(OCC(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])o4)CCC3)cc2)cc1 1787795957 DOAREHVHFMGXDV-UHFFFAOYSA-N 449.463 4.323 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])[nH]n1)[C@H]1C[C@H]1C1CC1 1814762628 FSJRXPRXMXBMHI-AHCANROVSA-N 449.511 4.070 5 20 IIBD CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC2)CCC1 1823707951 RCNLWIXWTKNUPK-JOCHJYFZSA-N 441.572 4.337 5 20 IIBD Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(F)c3[N+](=O)[O-])CC2)o1 1830617124 RYOZCTUSVAFXMZ-IBGZPJMESA-N 443.475 4.182 5 20 IIBD COc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)c([N+](=O)[O-])c1 9639441 ODWYMEPQBYWTIC-UHFFFAOYSA-N 443.460 4.067 5 20 IIBD Cc1cccc(C(=O)Oc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c1[N+](=O)[O-] 15965500 YGVNJXLSSKHUNS-UHFFFAOYSA-N 432.479 4.009 5 20 IIBD CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1Cl 22668043 UOZZPMBBZRGELC-LLVKDONJSA-N 430.800 4.381 5 20 IIBD COCCOc1ccc(C(F)(F)F)cc1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 27172871 YFYBIRDFCSCBEL-GFCCVEGCSA-N 427.379 4.078 5 20 IIBD C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 58520258 MUMLFSAGLGFIQG-IRXDYDNUSA-N 425.485 4.040 5 20 IIBD CCN(CC)[C@H](CNc1ccc(C(=O)NC)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 64947773 PJHPKYQLWRTPPL-LJQANCHMSA-N 438.450 4.468 5 20 IIBD O=C(CNc1ccccc1[N+](=O)[O-])NCc1ccccc1-c1ccc(Cn2cccn2)cc1 78505031 VXTNLNJKMVSYHO-UHFFFAOYSA-N 441.491 4.235 5 20 IIBD COc1cc(CNCc2ccccc2-n2cccn2)c([N+](=O)[O-])cc1OCC(F)(F)F 237222152 QSTZWHJBFHZOBH-UHFFFAOYSA-N 436.390 4.020 5 20 IIBD Cc1nc([C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c2ccccc2F)no1 237684483 SVGRJGOJJWQWJE-SFHVURJKSA-N 425.445 4.428 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N[C@@H]1CCOC2(CCCC2)C1 301688053 IVTQJJZQVRJEOW-QGZVFWFLSA-N 437.562 4.063 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCO[C@H](c2ccc(F)cc2F)C1 302442241 QRYAVOWDYBSKCC-HNNXBMFYSA-N 433.289 4.378 5 20 IIBD Cn1c([C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])c2ccccc2)nc2ccccc21 303027375 NDILVUCPNSGCBF-HSZRJFAPSA-N 429.480 4.189 5 20 IIBD Cc1cc(Br)ccc1NC(=O)COc1ccc(Br)cc1[N+](=O)[O-] 303889377 KBESRVBGQCLMIQ-UHFFFAOYSA-N 444.079 4.446 5 20 IIBD Cc1cnc(OCC(=O)N2N=C(c3cc4ccccc4o3)C[C@@H]2c2ccco2)c([N+](=O)[O-])c1 426584145 NTUQLWAILAYKOE-QGZVFWFLSA-N 446.419 4.394 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H](c1ccc(Cl)cc1)c1cnccn1 426844820 GBWKNFATKAXEBC-OAQYLSRUSA-N 425.876 4.007 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C 428777314 ICYBHNSJFVZDFI-LIRRHRJNSA-N 437.418 4.323 5 20 IIBD C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 428935970 QIOJQJPSJAMJKY-TYILLQQXSA-N 437.418 4.403 5 20 IIBD COc1ccc(Br)c(CN(C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 429282390 BMHCCFZKWWOTCG-UHFFFAOYSA-N 436.306 4.135 5 20 IIBD Cc1cc(C)cc([C@@H](C)NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1 430301311 INHUTKIZNOBTPC-CYBMUJFWSA-N 434.290 4.098 5 20 IIBD C[C@H]1CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C[C@@]2(CCCOC2)O1 432163694 OXLSLITVXILCMY-KSFYIVLOSA-N 427.457 4.189 5 20 IIBD CCCc1c(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cnn1-c1ccccc1C 433656214 KWYOOGMYQZAHEY-UHFFFAOYSA-N 441.875 4.272 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC(Nc2cccc(Br)c2)CC1 434265213 UMVRKSYMFHYHEU-UHFFFAOYSA-N 447.333 4.186 5 20 IIBD C[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1nc(C2CCCCC2)no1 436173938 UFHUJAAHAGTJDK-SECBINFHSA-N 449.316 4.372 5 20 IIBD CC(C)S(=O)(=O)Cc1ccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 436252667 JTWDMDXZXGORFN-UHFFFAOYSA-N 434.517 4.257 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CN(C)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] 436271347 DOACZXTVHGXNCQ-UHFFFAOYSA-N 447.211 4.154 5 20 IIBD O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 436962349 DWVBEJAEUYOXOB-UHFFFAOYSA-N 438.267 4.098 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1nnc(Cc2cccc(Cl)c2)s1 437162902 DQHHWIRYAMZFQY-UHFFFAOYSA-N 445.309 4.145 5 20 IIBD COc1cc(CCNC(=O)Nc2ccc(C(F)(F)F)c(C)c2)c([N+](=O)[O-])cc1OC 438530036 ACLBFKFTESNKIH-UHFFFAOYSA-N 427.379 4.303 5 20 IIBD Cc1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)n([C@H]2CCN(Cc3ccccc3)C2)n1 439278953 ACADMRVPFYYZLP-NRFANRHFSA-N 433.512 4.036 5 20 IIBD COc1ccc(OC(F)F)c(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1 444219509 BBUQHLNSQUKXDF-UHFFFAOYSA-N 442.393 4.360 5 20 IIBD C[C@@H](c1ccsc1)N1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC1 444318658 QLENYZLGBMISQM-HNNXBMFYSA-N 435.524 4.401 5 20 IIBD O=C(Cc1noc(Cn2ccc3cc([N+](=O)[O-])ccc32)n1)Nc1ccc(Cl)cc1Cl 445374250 STTXGCWXHUWYPA-UHFFFAOYSA-N 446.250 4.469 5 20 IIBD COc1cc(OC)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1Cl 445645565 UFCILVHMVFBZFI-UHFFFAOYSA-N 429.654 4.209 5 20 IIBD CC(C)N(C)Cc1cccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1 446050306 FQNCRXVKEJJXKV-UHFFFAOYSA-N 434.334 4.056 5 20 IIBD CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)CCc1cccc([N+](=O)[O-])c1 446207559 TVOUSHMFTXQNAO-UHFFFAOYSA-N 425.485 4.191 5 20 IIBD Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H](CO)Cc1cccc(OC(F)(F)F)c1 446241807 RPTVVEFQOZPZMU-CYBMUJFWSA-N 446.809 4.036 5 20 IIBD CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 446546597 JQZDMEXDUHWQCY-JFIYKMOQSA-N 440.548 4.057 5 20 IIBD CC[C@H](CCO)CNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 447407571 BGFWVOGUZIEWPH-CYBMUJFWSA-N 439.871 4.387 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2CN2CCN(c3ccccc3)CC2)c1 460734736 KPFLQAQDSFIREP-UHFFFAOYSA-N 444.535 4.155 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@H](c1ccco1)N1CCCCC1 462483745 GQVFSOGWCVZHDC-OAHLLOKOSA-N 448.328 4.000 5 20 IIBD Cc1ccccc1-n1c(S[C@H](C)c2ccccc2[N+](=O)[O-])nnc1N1CCOCC1 463279732 QRLGLRLMVCUULT-MRXNPFEDSA-N 425.514 4.174 5 20 IIBD C[C@@H](Oc1ccccc1Br)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464657398 BKECUBOAYCQDHP-CQSZACIVSA-N 449.301 4.195 5 20 IIBD CC[C@H](Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 467005367 JXHUJJYPUZRRIN-LBPRGKRZSA-N 444.435 4.106 5 20 IIBD Cc1c(CSC(C)C)cccc1NC(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl 467846745 QFLVELJIXDHMGL-UHFFFAOYSA-N 435.933 4.453 5 20 IIBD COc1cc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc(-n2cccn2)c1 471542573 OIAQCCBRXSZTHC-UHFFFAOYSA-N 431.246 4.112 5 20 IIBD CC(C)(C)c1cc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n(-c2ncccn2)n1 474858082 IBYOLHNDKUYBPA-UHFFFAOYSA-N 435.488 4.065 5 20 IIBD COc1ccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)c(OC(F)F)c1 475255090 JEWWXJITMXCWQB-UHFFFAOYSA-N 434.317 4.410 5 20 IIBD COc1ccc(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc1I 477497955 FWOHGBZTHAERFH-UHFFFAOYSA-N 426.210 4.077 5 20 IIBD COc1cc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc([N+](=O)[O-])c1C 480030387 PUEAAFDOZXEODE-OAHLLOKOSA-N 440.431 4.121 5 20 IIBD O=C(NCc1ccc(COCc2ccccc2)cc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 480323569 YCXFTFIDBLUJEH-UHFFFAOYSA-N 442.475 4.427 5 20 IIBD CS(=O)(=O)c1cc(C(=O)N(Cc2ccco2)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1 482635364 MBFZHBZBCCCZLZ-UHFFFAOYSA-N 434.857 4.092 5 20 IIBD CSCCN(C)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 483316796 AGRILTYUULJXOG-KRWDZBQOSA-N 438.347 4.332 5 20 IIBD O=C(NCc1cccc2c1OCCCO2)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 486081873 NYLORZDMOJCOKC-UHFFFAOYSA-N 434.448 4.265 5 20 IIBD Cn1ccnc1[C@@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 488200427 ORTJBADIFYWGGA-SFHVURJKSA-N 427.892 4.306 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cccc(S(=O)(=O)C2CCCCC2)c1 491497528 XZQXEMBRDUAEGS-UHFFFAOYSA-N 432.498 4.109 5 20 IIBD O=[N+]([O-])c1cnc(NC[C@@H](CO)Cc2ccccc2C(F)(F)F)c(Br)c1 493544555 LRROAOIUDMREFR-JTQLQIEISA-N 434.212 4.034 5 20 IIBD O=C(N[C@@H]1CCOc2c(-c3ccccc3)cccc21)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 494887429 TXBHDUAJXOJSAF-OAQYLSRUSA-N 447.495 4.329 5 20 IIBD CS(=O)(=O)c1cccc([C@H](NCCc2cccc([N+](=O)[O-])c2)c2cc(F)ccc2F)c1 494986852 GNOYLJWZVWDBRN-QFIPXVFZSA-N 446.475 4.198 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)N1CC[C@@](O)(C2CC2)C1 495216929 ZEVWVCKGOOQOJT-NRFANRHFSA-N 449.866 4.236 5 20 IIBD CC(C)c1cc(Br)ccc1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] 499299306 HZNJRDWEPIAXST-UHFFFAOYSA-N 427.320 4.465 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1COCc1ccccc1 499960643 CYIUPDGPLMDUMN-UHFFFAOYSA-N 433.464 4.070 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCC1(c2cccc(Cl)c2)CCOCC1 501879918 MLYRZEAXDRZRNE-UHFFFAOYSA-N 427.888 4.068 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Oc2ccnc3ccccc23)cc1 503377419 UMTRSJPOVCHWOG-UHFFFAOYSA-N 442.431 4.190 5 20 IIBD CN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H]1CCSc2ccc(Br)cc21 504580363 SYSCOHJLHQUSPC-MRXNPFEDSA-N 437.315 4.432 5 20 IIBD C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 504634532 HAKOKCBFCHXMRV-ZDUSSCGKSA-N 438.406 4.297 5 20 IIBD COc1cc(CN[C@@H](C)c2ccc(-n3cccn3)cc2)c([N+](=O)[O-])cc1OCC(F)F 505481068 RLDUJJXZKRAFKP-AWEZNQCLSA-N 432.427 4.284 5 20 IIBD O=C(Nc1ccc(Oc2ccncc2)c(Cl)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 505780038 VQANLKFPOVRZMM-UHFFFAOYSA-N 436.815 4.269 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)cc1[N+](=O)[O-])c1ccccn1 507067782 QYLZQDBFUWCTMG-KURKYZTESA-N 425.533 4.156 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3ccccc3-n3ccnc3)cc2[N+](=O)[O-])C1 509077390 ASSSZYIYMJPJNT-QZTJIDSGSA-N 433.512 4.193 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)c([N+](=O)[O-])c1 509584384 CHMAWEWDGPGALH-UHFFFAOYSA-N 436.383 4.121 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)Nc2ccc3nccnc3c2)cc1[N+](=O)[O-] 511211140 IDVHUQFFYWPRPJ-UHFFFAOYSA-N 441.447 4.087 5 20 IIBD CC(C)(C)c1ccc2c(c1)CN(C(=O)CCCn1c(=O)oc3cc([N+](=O)[O-])ccc31)CC2 511472654 WRGLTWQKJRVJGN-UHFFFAOYSA-N 437.496 4.165 5 20 IIBD Cc1c(NC(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)cccc1[N+](=O)[O-] 511594086 QMNYKUPDJHSQRA-UHFFFAOYSA-N 437.283 4.200 5 20 IIBD CCOc1cc(CN2CC[C@@H](C)C2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 511979036 QSPMDJHFRHWNCP-MRXNPFEDSA-N 428.485 4.281 5 20 IIBD CC(C)n1c([C@@H]2CCCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)nc2ccccc21 512267528 XLUZLVJLWLHYNE-QUCCMNQESA-N 438.528 4.145 5 20 IIBD COC(=O)c1ccc(Cl)c(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 515287138 GAFLUGUBFBADIY-UHFFFAOYSA-N 432.738 4.228 5 20 IIBD CCCCNC(=O)C1CCN(c2c([N+](=O)[O-])cnc3ccc(Br)cc23)CC1 517873858 MAFFJLSPCJYLPN-UHFFFAOYSA-N 435.322 4.038 5 20 IIBD O=C(Nc1ncc(Cc2ccc(F)cc2F)s1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 518457858 RVEZXHAONJJHJA-UHFFFAOYSA-N 442.403 4.426 5 20 IIBD COc1cc(CNC[C@]2(N(C)C)CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F 518764533 RLHJPFSMUXTGDQ-KUHUBIRLSA-N 433.471 4.145 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 519566226 VJPFNKORZIRPJQ-QGZVFWFLSA-N 441.362 4.107 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2C(=O)N2CCC[C@@H](C)CC2)c1 520138073 PZGSUTQBDJGEKL-OAHLLOKOSA-N 445.541 4.275 5 20 IIBD C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 522053952 UTQXNEJTKRVJLK-BDJLRTHQSA-N 431.297 4.052 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCSC[C@H]1c1ccc(Cl)cc1 522541926 CXCPZJFPVNEJJX-IBGZPJMESA-N 428.901 4.364 5 20 IIBD CCN(C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccc(Br)cn1 523278434 BJMSRPLZNRIYHW-UHFFFAOYSA-N 448.195 4.360 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)ccc1[N+](=O)[O-] 523772920 AKVSQQOSGVFBKA-UHFFFAOYSA-N 441.296 4.256 5 20 IIBD Cc1ccc(C[C@@H](NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c2ccccn2)cc1 523774404 BYKSFCAWBSZMKX-JOCHJYFZSA-N 445.523 4.114 5 20 IIBD CN(Cc1ccc(Br)cc1)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 523886268 HPEFPYYZNIXVFM-UHFFFAOYSA-N 427.682 4.438 5 20 IIBD CCOc1cc(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)c([N+](=O)[O-])cc1OCC 524481465 XTEDKXNQAWRHAI-SFHVURJKSA-N 442.516 4.178 5 20 IIBD CCc1ccccc1CNC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] 524892267 NAYWXUFWNPCATM-UHFFFAOYSA-N 427.482 4.131 5 20 IIBD COC(=O)c1cc(OCc2ncc(-c3cccc(Br)c3)o2)ccc1[N+](=O)[O-] 525116025 HKXXNELXTPOFQG-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD Cc1cc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)ccc1C(=O)N(C)C 525366883 VXDYYIZLLTXTBD-HZPDHXFCSA-N 438.528 4.340 5 20 IIBD COc1ccc(Br)cc1SCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 525519385 OBOYJOGUJPYATL-UHFFFAOYSA-N 439.287 4.456 5 20 IIBD CC1CCN(c2ccc(C(=O)NCc3ncc(-c4cccs4)[nH]3)cc2[N+](=O)[O-])CC1 527173073 VODFJBZLWZBXNC-UHFFFAOYSA-N 425.514 4.213 5 20 IIBD COc1ccc(C[C@H](C)CN(C)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 534895920 JSMNMSCGLYVNLI-SFHVURJKSA-N 425.529 4.157 5 20 IIBD O=C(NCc1ccncc1)Nc1cccc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c1 535669799 DJHUEIGGSTZSSF-UHFFFAOYSA-N 430.424 4.045 5 20 IIBD COc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 539229824 QWEGKRLIUUZVPT-ZIAGYGMSSA-N 426.498 4.405 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 540393467 KMNVSNHJPHKKMQ-QGZVFWFLSA-N 447.495 4.230 5 20 IIBD C[C@@H](C(=O)Nc1nc2ccccc2n1CCc1ccccn1)c1ccc([N+](=O)[O-])cc1F 541732087 VOOWBYXTJGFWAD-OAHLLOKOSA-N 433.443 4.464 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCCc1nc(C(F)(F)F)cs1 542190524 QSLLPOGXCBRIDV-UHFFFAOYSA-N 425.841 4.175 5 20 IIBD COc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cc1[N+](=O)[O-] 542965328 UGHQQMLHQNONCY-MRXNPFEDSA-N 438.406 4.018 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2cc(S(=O)(=O)N3CCCCC3)ccc2C)n1 544716095 ZHIMAQSQVQTZAY-UHFFFAOYSA-N 442.497 4.103 5 20 IIBD COC(=O)c1ccc(Cl)c(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c1C 545230525 PKMMRBIXUYNIET-UHFFFAOYSA-N 444.774 4.206 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 545366055 GTQGNOSQKRUXRH-IRXDYDNUSA-N 428.432 4.369 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@H](C)c2ccnc(O)c2)c([N+](=O)[O-])c1 549198221 DGOAIZCWYRGOKK-OAHLLOKOSA-N 442.497 4.084 5 20 IIBD CC(C)Oc1ccc([C@@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 551517355 LDUJHNPZFKXZKN-CQSZACIVSA-N 426.922 4.160 5 20 IIBD CN1CCC(Oc2ccc(CNC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)cc2)CC1 552034114 FMTBLXBTQVFJMX-UHFFFAOYSA-N 437.418 4.017 5 20 IIBD Cc1cc(F)ccc1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2nc[nH]n2)CC1 552626092 ZMFVZHLRZHHBEG-UHFFFAOYSA-N 441.488 4.331 5 20 IIBD COc1cc(C(=O)Nc2cc(F)c(Br)c(Cl)c2)c([N+](=O)[O-])cc1OC 553313981 NCDXFDVVECVTBN-UHFFFAOYSA-N 433.617 4.419 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1 554211372 IWYNHFJFDJMDAL-UHFFFAOYSA-N 433.530 4.015 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC1(c2cccc(Cl)c2)CCOCC1 557812413 UHSNPDKVFWZQFI-UHFFFAOYSA-N 431.920 4.181 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](c1cccc(F)c1)c1nccn1C 559503794 AKVGPDCHAJYTPT-QGZVFWFLSA-N 447.264 4.058 5 20 IIBD CC[C@@H](NC(=O)c1ccccc1)c1noc(-c2ccc([N+](=O)[O-])cc2Br)n1 576384386 IJQRITLCMBJTKK-OAHLLOKOSA-N 431.246 4.288 5 20 IIBD Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1C 580743138 SZMUCSVTCVELHZ-UHFFFAOYSA-N 432.509 4.385 5 20 IIBD O=[N+]([O-])c1ccc(CN(c2nnc(-c3cccnc3)n2Cc2ccccc2)C2CC2)cc1 582036379 UFKQGAAEGPQABO-UHFFFAOYSA-N 426.480 4.466 5 20 IIBD Cc1cccn(Cc2c(F)cccc2NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1=O 582748548 DHVBUAWGTISLNJ-UHFFFAOYSA-N 444.850 4.227 5 20 IIBD O=C(Nc1cccc(-c2nc(Cc3ccccc3[N+](=O)[O-])no2)c1)[C@@H]1Cc2ccccc2O1 582996769 WXAWSVAAQCRLNF-NRFANRHFSA-N 442.431 4.178 5 20 IIBD COc1cc(CN2CCC(Oc3cncc(Cl)c3)CC2)c([N+](=O)[O-])cc1OC(F)F 590600957 JLFHWLJWFGGNBS-UHFFFAOYSA-N 443.834 4.297 5 20 IIBD CC(C)c1noc(CN2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)n1 603684459 QWNPKWRSQQNJEO-UHFFFAOYSA-N 427.530 4.148 5 20 IIBD CCOc1cc(C(=O)N[C@@H](C)COc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])cc1OC 604199609 RVYIYNFKBJTAHI-HNNXBMFYSA-N 430.501 4.497 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)c1cccnc1Oc1ccc(Br)cc1 604470947 AEYKMQHIECVHMG-UHFFFAOYSA-N 428.242 4.475 5 20 IIBD O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccc(Cl)c(N2CCCC2=O)c1 608789319 NYLVMKOPAKVTLZ-UHFFFAOYSA-N 425.832 4.017 5 20 IIBD Cc1cccc(C2(NC(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)CCCC2)c1 608948354 GNSUCCVEXITZKN-UHFFFAOYSA-N 437.525 4.382 5 20 IIBD CCc1ccc([C@@H](C)C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 609018684 KZSHJOIRKAWOSQ-CYBMUJFWSA-N 445.522 4.189 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)Nc1c[nH]ccc1=O 609171517 DCOJOGGWACPFBD-RVDMUPIBSA-N 432.461 4.462 5 20 IIBD O=C(N[C@@H](Cc1ccccc1)c1cccs1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 609752662 PREPRRFVBMGPMU-NRFANRHFSA-N 436.537 4.472 5 20 IIBD NC(=O)N[C@H](CC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cccs1 609762719 PXELSJBPHSTXQB-QGZVFWFLSA-N 426.454 4.187 5 20 IIBD CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 609772909 JKHJBNIIJCWXBD-HOTGVXAUSA-N 426.473 4.156 5 20 IIBD CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ncnc2ccc([N+](=O)[O-])cc12 609850142 ZUCPCMOXPCLXAA-UHFFFAOYSA-N 439.781 4.285 5 20 IIBD O=C(Nc1ccc2oc(O)nc2c1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 609855938 AINCXTTVUXAWKV-UHFFFAOYSA-N 434.195 4.186 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H](C)[C@H](OC)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 609865937 RRZXVEOTNIKXCO-RBZFPXEDSA-N 438.933 4.382 5 20 IIBD O=C(CCSc1ccc2c(c1)OCCO2)Nc1cc([N+](=O)[O-])ccc1OC(F)F 609968109 GCYQGXREGUJXRV-UHFFFAOYSA-N 426.397 4.088 5 20 IIBD O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1Br 610044570 YRMDHIHZTJUSPT-ZDUSSCGKSA-N 439.237 4.307 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N[C@H](CN2CCCCC2)c2ccccc2)c([N+](=O)[O-])c1 610279278 PYHNTOLLKPIEQP-OAQYLSRUSA-N 433.512 4.198 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cnc2ncc(Br)cc2c1 614814444 WBESPGBDOANLFE-UHFFFAOYSA-N 429.274 4.351 5 20 IIBD CN(C[C@H]1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C 729185456 RJIXRYWXUDHENP-LLVKDONJSA-N 448.398 4.215 5 20 IIBD O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1COc1ccccc1 731507663 PMLHNLIDBFXDQD-QFIPXVFZSA-N 432.432 4.136 5 20 IIBD Cc1csc(SCc2ccc(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)cc2)n1 731651379 HCVKCKKYUXGHJQ-UHFFFAOYSA-N 429.523 4.461 5 20 IIBD CC(C)(C)OC(=O)NC[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 732156101 PTQRPDHFGLTTHU-INIZCTEOSA-N 425.913 4.452 5 20 IIBD CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H](c1cccnc1)c1ccc(F)cc1F 732962718 DVNNNSPMOVPCBW-HXUWFJFHSA-N 442.378 4.428 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)O[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O 733428123 QYFZWOXMQMDISF-INIZCTEOSA-N 440.399 4.054 5 20 IIBD COc1ccc([C@H]2[C@H](COC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CCC(=O)N2C)cc1 737339009 GSNLZSPXNXENTI-XOBRGWDASA-N 432.860 4.023 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2cnc3onc(C)c3c2)c2ccccc2)c([N+](=O)[O-])c1 740951526 JBDCRIZPIIZYCN-HXUWFJFHSA-N 446.419 4.285 5 20 IIBD C[C@H]1C[C@H](c2ccccc2F)N(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 742332746 NXPXTYDNYOENPQ-MEDUHNTESA-N 443.294 4.268 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@H](CN1CCCCC1)c1ccccc1 742411687 RGRCYSZSOOZSNG-GOSISDBHSA-N 439.484 4.230 5 20 IIBD CC(=O)Nc1ccc(OC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(F)c1 742838774 GLAYRMYPLWVYDH-UHFFFAOYSA-N 429.326 4.119 5 20 IIBD CCN(CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H](Cc1ccc(F)cc1)C(C)C 743397855 BLHPFJWRPABJEH-NRFANRHFSA-N 442.491 4.049 5 20 IIBD COC(=O)C[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(Cl)c1 743795963 SKYPYUCCQNYFBG-OAHLLOKOSA-N 441.267 4.091 5 20 IIBD COC(=O)c1cc(C(=O)OCc2ccc(OC)c(SC(F)(F)F)c2)cc([N+](=O)[O-])c1 744489307 IQVYRSRVOLLGEE-UHFFFAOYSA-N 445.371 4.359 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)OCc1ncc(-c2ccc(Br)cc2)o1 744518500 RKXDVBKJOVWYCS-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD Cc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 744565937 YXLYPTLISGHVRU-CQSZACIVSA-N 431.876 4.341 5 20 IIBD O=C(COC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@H](c1ccccc1)C1CCCC1 744615096 QOYZWABUXWTFMP-XMMPIXPASA-N 435.480 4.140 5 20 IIBD C[C@@H](OC(=O)[C@@H]1CCCCN1Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 745102795 AYDDVYKSZAMJRT-QRWLVFNGSA-N 445.903 4.173 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(c3cccc(F)c3)CC2)c(Br)c1 746669048 BZMGOGJPMYIZBT-UHFFFAOYSA-N 443.294 4.065 5 20 IIBD C[C@H](OC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1cnc2ccccc2c1 747350678 HJWAYJKDKPVCEI-ZDUSSCGKSA-N 435.465 4.341 5 20 IIBD O=C(COC(=O)CCc1ccc(Br)cc1)Nc1cc([N+](=O)[O-])ccc1Cl 748921798 YPWFCOMDYDTXTI-UHFFFAOYSA-N 441.665 4.125 5 20 IIBD O=C(NC1(c2noc([C@@H]3CCOC3)n2)CCCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 749166001 LJIPFNXFVQWQFC-CQSZACIVSA-N 434.880 4.115 5 20 IIBD Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)o1 749317779 VYIVYDTWCLDGJJ-UHFFFAOYSA-N 445.391 4.447 5 20 IIBD CC(C)N(Cc1ncc(-c2ccc3c(c2)OCO3)[nH]1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] 750189442 BWRYWXZYNKAPNR-UHFFFAOYSA-N 442.859 4.418 5 20 IIBD O=C(Nc1cc(F)c(F)cc1I)c1cccc(Cl)c1[N+](=O)[O-] 750199222 VYTIOWCIXWVECC-UHFFFAOYSA-N 438.555 4.383 5 20 IIBD C[C@@H](C(=O)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1cnn(C)c1 750556349 AYQWWKCAEWSIDI-YJYMSZOUSA-N 442.859 4.008 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] 753038135 NPOVJTDSMVGDKU-DLBZAZTESA-N 434.537 4.253 5 20 IIBD C[C@H](C(=O)N1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1F 754415870 KENCMLYFTVIUOS-HNNXBMFYSA-N 449.523 4.476 5 20 IIBD CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 755029745 XILGITDRVKBASV-UHFFFAOYSA-N 449.305 4.113 5 20 IIBD CCN(CC1CCN(c2ccccn2)CC1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 756964098 PCOFZWLSICSWSZ-UHFFFAOYSA-N 431.924 4.091 5 20 IIBD NC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cccc([N+](=O)[O-])c1Br 757805058 KBKGDUQTRGJPFY-UHFFFAOYSA-N 446.282 4.437 5 20 IIBD C[C@H](OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)N(C)Cc1c(F)cccc1Cl 758735793 KMTZXPQTKBNJCP-LBPRGKRZSA-N 447.850 4.001 5 20 IIBD O=C(O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1cnc(OCc2ccccc2)cn1 759030505 XTBZCMMFJGWUIT-QHCPKHFHSA-N 442.431 4.305 5 20 IIBD C[C@H](c1ccc(F)c(F)c1)N(C)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 760854538 CGDTVQYCXWYVOZ-SECBINFHSA-N 435.246 4.017 5 20 IIBD C[C@H](OC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 761488806 BEWLJGIQYVETEX-SJORKVTESA-N 446.459 4.500 5 20 IIBD CSc1nc(C(C)(C)C)nc(C)c1C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 761540199 FPBUIVLHWIIUJU-UHFFFAOYSA-N 443.485 4.120 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@H](c2nc(Cc3nc4cc(F)ccc4s3)no2)C1 762035974 UJSICTUIRGFNKB-HNNXBMFYSA-N 425.401 4.183 5 20 IIBD CC(C)(C)OC(=O)c1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(F)c1 763995633 BQIYERXDPRYATO-UHFFFAOYSA-N 444.463 4.043 5 20 IIBD COc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)ccc1NC(=O)OC(C)(C)C 767447517 CMHNDOWUFOGBRX-UHFFFAOYSA-N 443.503 4.121 5 20 IIBD CCOC(=O)N1CCC(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 767826423 VQMBKIHCNJWXIZ-UHFFFAOYSA-N 429.498 4.097 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[C@@H](c2c(F)cccc2F)C1 769647760 NTJQJUUFXVHKLV-SECBINFHSA-N 429.192 4.404 5 20 IIBD O=C(OCCNc1ccc(C(F)(F)F)cn1)c1ccc(Br)cc1[N+](=O)[O-] 770628569 CHDLJPGMXKMEKS-UHFFFAOYSA-N 434.168 4.040 5 20 IIBD O=C(OCC(=O)C1CCOCC1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 770906781 JQCRPBFOFJLZHQ-UHFFFAOYSA-N 432.860 4.013 5 20 IIBD O=C(Oc1ccc2cncnc2c1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 772526954 STVNZMRMFIJBHD-UHFFFAOYSA-N 446.385 4.379 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cnc(Cc2ccccc2F)s1 772836378 XIOHYRLSQLCSOB-UHFFFAOYSA-N 440.412 4.188 5 20 IIBD CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 773996119 JRSOSKRXERMYPB-HNNXBMFYSA-N 448.566 4.157 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cc1OC 775091398 PPNRQSYVSLQXOE-CYBMUJFWSA-N 448.497 4.297 5 20 IIBD Cc1ccc([C@@H](C)NCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1[N+](=O)[O-] 775549875 QNIYIUBYXNTRKI-GOSISDBHSA-N 446.507 4.123 5 20 IIBD O=C(O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1cn(-c2ccc(Cl)cc2)nn1 776132047 HNIMVOUAICIAON-HXUWFJFHSA-N 435.827 4.170 5 20 IIBD C[C@H]1CC(=O)CC[C@H]1C(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 776292631 RQPTZAFZCCCCAV-YVEFUNNKSA-N 430.844 4.411 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnn(CN3CCO[C@@H](c4ccc(OC(F)F)cc4)C3)c2)c1 777959046 ZKXXRAFTJSEZAL-HXUWFJFHSA-N 430.411 4.091 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(NC(=O)OC(C)(C)C)cc1 778010209 NMDRURBDLZQWMT-UHFFFAOYSA-N 426.422 4.157 5 20 IIBD O=C(CCc1ncc(-c2ccccc2F)o1)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 778786701 QPPZDYQLZMCECF-KRWDZBQOSA-N 425.416 4.144 5 20 IIBD O=[N+]([O-])c1cccc(Br)c1CN1CCC(O)(c2c(F)cccc2F)CC1 779198307 CVMPAOLSOOBUAB-UHFFFAOYSA-N 427.245 4.119 5 20 IIBD CCCCCCNC(=O)[C@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 780526319 DDQOBCWAACSPCW-IBGZPJMESA-N 433.552 4.230 5 20 IIBD CC(=O)c1sc(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)nc1-c1ccccc1 781561294 GZJDGUJPDBOAET-QGZVFWFLSA-N 436.449 4.053 5 20 IIBD Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1 782421226 HSOXOOGNLBSDID-UHFFFAOYSA-N 434.430 4.205 5 20 IIBD Cc1cccc(O[C@H]2CCCC[C@@H]2NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 783337937 KHTZILZHHDCZSB-HKUYNNGSSA-N 431.876 4.002 5 20 IIBD Cc1cc(F)cc(C(=O)NC[C@@H](C(=O)OCc2ccccc2)c2ccccc2)c1[N+](=O)[O-] 787537179 NEAIKZNNWBXQGX-OAQYLSRUSA-N 436.439 4.299 5 20 IIBD CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1ccc(I)c([N+](=O)[O-])c1 787986197 AOAKKTMHZOARCC-NSHDSACASA-N 442.175 4.002 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OCC[C@@H](C)OCc2ccccc2)ccc1[N+](=O)[O-] 789040696 QJIDYYSUHUQXKJ-XMSQKQJNSA-N 440.496 4.046 5 20 IIBD Cc1ccc[n+](/C(C(=S)NCCc2ccc(F)cc2)=C(/O)c2cccc([N+](=O)[O-])c2)c1 789423400 LHXIITGVRNOWPL-UHFFFAOYSA-O 438.504 4.373 5 20 IIBD Cc1cc(NC(=O)c2cnc(Br)c(Cl)c2)n(-c2ccc([N+](=O)[O-])cc2)n1 790169163 HIMZCBMSWBBUFI-UHFFFAOYSA-N 436.653 4.152 5 20 IIBD CS(=O)(=O)c1cc(C(=O)OCc2cc(Cl)c(Cl)c(Cl)c2)cc([N+](=O)[O-])c1 791973120 WDSKXIRIZZKWCW-UHFFFAOYSA-N 438.672 4.316 5 20 IIBD CC(C)(C)OC(=O)N1CCOc2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2C1 794832393 ISUYNAGSLSCOJA-UHFFFAOYSA-N 431.420 4.116 5 20 IIBD COc1ccccc1[C@H]1CC[C@@H](C)CN1Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O 795676500 SRNZMHFZBKIJEZ-VGOFRKELSA-N 434.496 4.258 5 20 IIBD COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1Cl 800930775 RJPJULYZRNQMFJ-SNVBAGLBSA-N 435.285 4.116 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)OCc2nc(O)c3ccc(C(F)(F)F)cc3n2)c1F 803458819 NOOACOMDZBIREU-UHFFFAOYSA-N 425.294 4.067 5 20 IIBD COC(=O)Nc1cccc(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 803542786 FVBDZUBOJOWFSU-UHFFFAOYSA-N 435.436 4.282 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N(Cc1ccccc1)C[C@@H](O)c1ccccc1 804412378 PHECMOFFFZCCIC-XMMPIXPASA-N 442.475 4.157 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)nn1-c1ccc(F)cc1F 809354183 GMFIRETXEYJXKP-UHFFFAOYSA-N 437.200 4.382 5 20 IIBD C[C@@H](OC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 811376892 WCFAXIGBXHYYGO-SSDOTTSWSA-N 446.174 4.133 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCCc1cnc(SC2CCCC2)nc1 814941569 MHIUCWGUSHNLGC-UHFFFAOYSA-N 429.502 4.031 5 20 IIBD COc1cc(N2CCC(OC(=O)c3cnc4c(F)ccc(F)c4c3)CC2)ccc1[N+](=O)[O-] 815957887 PVKMXTMUYVSIQV-UHFFFAOYSA-N 443.406 4.256 5 20 IIBD CCOc1c(Cl)cc(C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1OC 914796504 RTEDTDJLIXLCFE-UHFFFAOYSA-N 433.804 4.063 5 20 IIBD Cc1cc(C)c(NC(=O)CCCOC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c(C)c1 916598658 JGPMHSZWUMLIDN-UHFFFAOYSA-N 436.468 4.281 5 20 IIBD O=C(NCc1cccc(C(=O)NCc2ccco2)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 916669437 ZKAWOCJKLWHRME-UHFFFAOYSA-N 428.832 4.093 5 20 IIBD COc1c([N+](=O)[O-])cc(NCCO[C@@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1Br 917074983 NTVVFYHRQHUROM-ZWNOBZJWSA-N 432.271 4.281 5 20 IIBD O=Cc1ccc(OCC(=O)NC2(c3ccc(Br)cc3)CCCC2)c([N+](=O)[O-])c1 917177705 CTHJXHLNOSEZMI-UHFFFAOYSA-N 447.285 4.134 5 20 IIBD C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c1 917673565 OBFMPBRBYBKXLR-FGLWMGOFSA-N 440.475 4.199 5 20 IIBD Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])cc1 917874623 AIWRKHAEXHTBLK-HNNXBMFYSA-N 425.304 4.192 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cc(Cl)ccc1Br 919065734 KKWPYHRWOSFXLW-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCc1ccc(OCc2nccn2C)cc1 920793410 ONQZELPQGYBJDO-AWEZNQCLSA-N 445.859 4.071 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NC[C@H](O)c3cccc(F)c3)cc2[N+](=O)[O-])n1 921085280 KSQWESTVJLNVRX-INIZCTEOSA-N 433.486 4.113 5 20 IIBD Cc1ccc(C(C)C)c(OCc2nnc(SCCOc3ccc([N+](=O)[O-])cc3)n2N)c1 921263729 FRQKCDBIHSAREV-UHFFFAOYSA-N 443.529 4.082 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)OCc1ncc(-c2ccccc2Br)o1 1330139487 DOTQPFSNWSOAIK-UHFFFAOYSA-N 432.230 4.411 5 20 IIBD CC(C)(NC(=O)NCc1ccc(-n2cnc3ccccc32)nc1)c1ccccc1[N+](=O)[O-] 1330153901 NFNTUIHFGUKGEU-UHFFFAOYSA-N 430.468 4.063 5 20 IIBD C[C@H](Cc1ccncc1)C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1 1785751000 CQDGTBCLYRWZAM-MRXNPFEDSA-N 448.479 4.209 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3n[nH]cc3[N+](=O)[O-])CCC2)cc1)c1ccc(Cl)s1 1787327235 JYUXXWQEATUDDK-UHFFFAOYSA-N 445.888 4.094 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)ccc1Cl)c1cccc(F)c1[N+](=O)[O-] 1800462577 NNFLXACGAOTJNO-BTTYYORXSA-N 449.841 4.092 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)C2CCCCC2)[nH]n1)c1cccc(F)c1[N+](=O)[O-] 1821170788 ZQNHAEQDPPTGPY-SFHVURJKSA-N 443.479 4.343 5 20 IIBD O=C(/C=C/c1ccsc1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823610899 QZAWTGFGEHKNLN-JXTAAOLFSA-N 443.525 4.196 5 20 IIBD CCCCC[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)CC2 1825284706 BYIARVVLJIIUOC-OLZOCXBDSA-N 434.518 4.087 5 20 IIBD Cc1ccoc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830495947 YWOLJSDDSNTRRN-HXUWFJFHSA-N 443.475 4.182 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nc2sc(C)c(C)c2c1=O 9358029 RDCHVJTZARHDNA-LBPRGKRZSA-N 432.527 4.122 5 20 IIBD O=C(COC(=O)c1ccccc1OCc1ccc(F)cc1)Nc1cc([N+](=O)[O-])ccc1F 10588152 RNKSBYFQDZNGNJ-UHFFFAOYSA-N 442.374 4.248 5 20 IIBD Cc1nc2ccccc2n1CCNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 15135912 IPKWYZHMCCPVMX-UHFFFAOYSA-N 429.480 4.295 5 20 IIBD COCc1c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)sc2cccc(F)c12 17937554 OZCBUHHRCQDQEH-UHFFFAOYSA-N 432.429 4.199 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(Cc2ccc(Br)s2)CC1 18111722 CSVZLRFFDCTEFJ-UHFFFAOYSA-N 444.738 4.030 5 20 IIBD CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](C)Oc1cccnc1[N+](=O)[O-] 20973282 RDFBZOPCKZLYQC-ZDUSSCGKSA-N 441.465 4.301 5 20 IIBD COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc1NC(C)=O 25579439 BLKKWSJBCDFKKN-UHFFFAOYSA-N 426.473 4.050 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cc(Cl)ccc1OCC(F)(F)F 26227174 ACCBTLCYFMPKPD-UHFFFAOYSA-N 433.770 4.249 5 20 IIBD C[C@@H]1CCCN(c2ccc(C(=O)NCc3ccc(Cn4ccnc4)cc3)cc2[N+](=O)[O-])C1 29027459 IMORRLLIPXYSFX-GOSISDBHSA-N 433.512 4.006 5 20 IIBD Cc1nc(-c2ccc([C@@H](C)NC(=O)c3nnn(-c4cccc([N+](=O)[O-])c4)c3C)cc2)cs1 30893038 SGHFSZWEJWRAQG-CYBMUJFWSA-N 448.508 4.407 5 20 IIBD COc1ccc(OC)c(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 64798421 SWHSKQCOFRFBFO-OAHLLOKOSA-N 436.468 4.110 5 20 IIBD CC(C)N(C)Cc1ccccc1CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 107715447 GUQJSCNNKAKNRW-UHFFFAOYSA-N 439.434 4.306 5 20 IIBD CN(Cc1cccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])c1)C(=O)OC(C)(C)C 108173002 OWJSSJPEVGXEPA-UHFFFAOYSA-N 428.489 4.402 5 20 IIBD O=C(COc1ccc2ccccc2c1Br)N1CCc2ccc([N+](=O)[O-])cc21 247382836 JRIJBQVPYRODPK-UHFFFAOYSA-N 427.254 4.479 5 20 IIBD NS(=O)(=O)c1cc(N[C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)cc([N+](=O)[O-])c1 301924535 KYPBOWJVTSTPOZ-DOTOQJQBSA-N 429.420 4.009 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCCN2c3ccccc3C[C@H]2C)cc1[N+](=O)[O-])c1ccccn1 303060063 LNFCZKAONUEFIL-MSOLQXFVSA-N 445.523 4.344 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 303688981 USNMWONRZWCFBH-MUUNZHRXSA-N 436.555 4.285 5 20 IIBD COc1cc(C(=O)Nc2cc(I)ccc2Cl)ccc1[N+](=O)[O-] 389017151 FXJZOFYUDWXXNU-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC(N2CCc3ccccc32)CC1 410301127 JHCBEMFQQBHPFG-UHFFFAOYSA-N 437.543 4.208 5 20 IIBD COc1cc(CN[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)c([N+](=O)[O-])cc1O 430052468 OXALAPODPVROPH-AULYBMBSSA-N 425.254 4.246 5 20 IIBD Cc1c(NC(=O)C(=O)Nc2cccc3ccsc23)cc(Br)cc1[N+](=O)[O-] 430342048 LMNOWQUSDQLWKK-UHFFFAOYSA-N 434.271 4.458 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2c3ccccc3S[C@H](C)[C@@H]2C)cc1OC 430635602 HHXWZFLQTSNUSR-UONOGXRCSA-N 432.498 4.158 5 20 IIBD CC(C)n1nc(-c2ccco2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 433137431 SVOCDSIQADHXPM-UHFFFAOYSA-N 444.391 4.452 5 20 IIBD Cc1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c1Br 435127842 ANASLUWNBLUSSB-UHFFFAOYSA-N 437.218 4.068 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 435605223 RUTNPULQCJTOSZ-JCNLHEQBSA-N 428.432 4.022 5 20 IIBD C[C@@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccc2c(c1)CCC(=O)N2 436074010 JSVNTODEISONSW-GFCCVEGCSA-N 447.441 4.335 5 20 IIBD O=C(Nc1nnc(C(F)(F)F)s1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436129700 HSLKSKZTSXIFGX-UHFFFAOYSA-N 426.326 4.082 5 20 IIBD O=C(Nc1ccc(F)cc1)C1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 436333975 DLTXRJORRVZFFJ-UHFFFAOYSA-N 443.478 4.311 5 20 IIBD COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1ccc([N+](=O)[O-])cc1O)CC2 436860409 GBGRMYJZYIXUEA-OAQYLSRUSA-N 440.477 4.167 5 20 IIBD O=C(N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)c1cc([N+](=O)[O-])ccc1SCCO 437516744 QIYUVBGYQHHRBT-CTYIDZIISA-N 440.443 4.374 5 20 IIBD COc1cc(C(=O)N2CC[C@H](O)C(C)(C)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 438470197 YPLCTZPYRRVNRT-IBGZPJMESA-N 434.876 4.282 5 20 IIBD COc1ccc(CC(C)(C)NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 438513885 LHKTZKPVDLIOCA-UHFFFAOYSA-N 436.512 4.216 5 20 IIBD Cc1c(NC(=O)C(=O)Nc2cccc(COCCc3ccccc3)c2)cccc1[N+](=O)[O-] 438712884 BYDMPGFNGQWGKJ-UHFFFAOYSA-N 433.464 4.240 5 20 IIBD O=C(Nc1ccc(Br)cc1Cl)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 440771819 PLIBKNDLRTUQPD-UHFFFAOYSA-N 439.697 4.365 5 20 IIBD COc1ccc2c(c1)OC[C@@H](NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])C2 441284761 KWNKWUCZOZGBNS-INIZCTEOSA-N 436.489 4.488 5 20 IIBD C[C@@H]1CCN(C(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)[C@H]1CO 443397681 ZMDLFAODPMDNTP-CNMACFBPSA-N 437.521 4.365 5 20 IIBD C[C@H](CCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)N(C)Cc1ccccc1 444110196 PMPQCURVAQPILI-QGZVFWFLSA-N 431.511 4.461 5 20 IIBD Cc1cc(C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)nn1-c1ccc(Cl)c(Cl)c1 444642549 IKIYFBBAAWDSGJ-UHFFFAOYSA-N 445.266 4.202 5 20 IIBD CCN(C(=O)Cc1noc(Cn2c3ccccc3c(=O)c3ccccc32)n1)c1ccccc1 445685844 VCQKKUXDQJPLPD-UHFFFAOYSA-N 438.487 4.182 5 20 IIBD CCN(CC)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccsc1 445849833 RIKKOPOXYVSWIA-QGZVFWFLSA-N 440.363 4.161 5 20 IIBD Cc1ccc(CNC(=O)c2cccc(CN[C@@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)c2)cc1 447552032 SHZXNDCKNNQMIW-DHIUTWEWSA-N 447.539 4.303 5 20 IIBD CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 461451433 SGRPSHBYSNXWBE-LJQANCHMSA-N 428.439 4.263 5 20 IIBD CC(C)[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCc2ccccc2C1 463406892 RZLLDJFKEIZFEJ-HXUWFJFHSA-N 435.446 4.426 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CCCC[C@@H]1N(C)C1CCN(C)CC1 463949477 JMNFBNBGFSEVBD-SFTDATJTSA-N 431.581 4.013 5 20 IIBD O=C(CCC(=O)c1cccs1)CCC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464662970 UNKHRXXJTUBIQG-UHFFFAOYSA-N 444.509 4.039 5 20 IIBD COc1ccc([C@@H](NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C2CC2)cc1 465491728 VSFLDHANTVCKMK-QFIPXVFZSA-N 425.485 4.308 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cc(I)ccc1Cl 466847294 UKUNJVFTZZRXQQ-UHFFFAOYSA-N 446.628 4.260 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 467454804 GAPHGDPBLYRXFU-UHFFFAOYSA-N 441.662 4.457 5 20 IIBD CC(C)c1ccc(C(=O)N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)cc1[N+](=O)[O-] 467840916 JYCQXGNXJOKRMU-UHFFFAOYSA-N 433.867 4.109 5 20 IIBD C[C@H](CCc1ccccc1[N+](=O)[O-])NCc1cccc(NC(=O)NCc2ccncc2)c1 468557402 WRKVXXFACGPRKS-GOSISDBHSA-N 433.512 4.422 5 20 IIBD COc1ccc(Cl)cc1C1(CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCOCC1 470151967 LLQBWIGNFNFUMJ-UHFFFAOYSA-N 437.855 4.266 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](OCc3ccccc3)C2(C)C)cc1SC 471678419 JARKPXLOQMIBLF-PMACEKPBSA-N 430.526 4.439 5 20 IIBD O=C(Cc1ccccc1[N+](=O)[O-])N[C@H](Cc1ccccn1)c1ccc(Br)cc1 474953695 MHUVWTOGBCCIQB-LJQANCHMSA-N 440.297 4.395 5 20 IIBD O=c1c(Br)cn(CC/C=C\c2ccc(Br)cc2)cc1[N+](=O)[O-] 477416534 RLQGMXIVFJLXGN-IWQZZHSRSA-N 428.080 4.385 5 20 IIBD C[C@@H]1CCCCN1Cc1ccc(CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1 479162280 COJVWRJVTJAWAW-GOSISDBHSA-N 433.512 4.085 5 20 IIBD CCCN(CCC)C(=O)c1ccc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1 479828123 DLLPKCRCKUHJIY-UHFFFAOYSA-N 435.484 4.295 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2ccc(F)c(NC(=O)c3ccoc3C)c2)c1[N+](=O)[O-] 480250226 QVIPOYNIDQAASZ-UHFFFAOYSA-N 447.444 4.305 5 20 IIBD O=C(NCc1nc(C(F)(F)F)n[nH]1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 482240017 IHSLBFAPRBTUKG-UHFFFAOYSA-N 441.753 4.107 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)S(=O)(=O)Cc1nn(-c2ccccc2)c2c1CCC2 485319681 OMLHBOLUNQYCGE-INIZCTEOSA-N 425.510 4.254 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OC)c(Br)c2)cc1OC 486168621 FYSWESGPZNZVTO-UHFFFAOYSA-N 425.235 4.026 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)c1cccc(SC)c1[N+](=O)[O-] 486425154 PTUJOTYUUAQIBG-UHFFFAOYSA-N 437.905 4.046 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](CN2CCCC[C@@H]2C)C1 486745173 WWXNNGRATGEGGF-ZWKOTPCHSA-N 435.590 4.060 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCc1ccnc(Oc2ccccc2F)c1 486853613 HSCAONOFDRGNBW-UHFFFAOYSA-N 437.836 4.053 5 20 IIBD Cc1ccc(-c2nc(NC(=O)c3nnn(-c4cccc([N+](=O)[O-])c4)c3C)sc2C)cc1 487620396 JHCRZJGNMLGRDP-UHFFFAOYSA-N 434.481 4.477 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](Cc1ccccc1Cl)C(N)=O 488252535 PXXJNFHTMFONPG-HNNXBMFYSA-N 449.960 4.070 5 20 IIBD COCCCOc1cccc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 488931582 OBNUCOJDMJTDGS-UHFFFAOYSA-N 427.379 4.351 5 20 IIBD O=C1CN(Cc2ccccc2)[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)N1 489127010 CNACFYSMCXWNAX-FQEVSTJZSA-N 442.269 4.248 5 20 IIBD O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1 489512490 UFWHFOLOXHLLAS-UHFFFAOYSA-N 433.342 4.206 5 20 IIBD O=C(NC1CCN(Cc2ccc(F)c(F)c2)CC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 489645055 DAYVNAPIHMIGQV-UHFFFAOYSA-N 444.482 4.212 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCC[C@@H](c1ccccc1)C(F)(F)F 490793419 IMJLITYNTMRXHF-INIZCTEOSA-N 433.386 4.374 5 20 IIBD CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] 491053703 UOILZQLSFMQDDI-QGZVFWFLSA-N 446.345 4.342 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccc(Br)o2)cc1 492838662 WETFJMUTAJUMTN-UHFFFAOYSA-N 430.214 4.455 5 20 IIBD COc1ccc(Cl)cc1NC(=O)C[C@H](C)NCCc1ccc(Cl)cc1[N+](=O)[O-] 495435460 WPDQBCLBKHFPMF-LBPRGKRZSA-N 426.300 4.460 5 20 IIBD Cc1nn(C)c(C(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)c1[N+](=O)[O-] 497967324 IHHHZGHCPPAWEL-MRXNPFEDSA-N 437.887 4.333 5 20 IIBD COc1cc(OC)c2cc(CCCNC(=O)c3ccc([N+](=O)[O-])c4cccnc34)[nH]c2c1 498395868 FITIAQIUQMFFQO-UHFFFAOYSA-N 434.452 4.004 5 20 IIBD CC[C@H](Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1OCC(=O)N(C)C 499150843 ZUZSHBADOAVDRP-INIZCTEOSA-N 436.306 4.388 5 20 IIBD C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] 501055245 ANGCGPCFAWTQEE-VLIAUNLRSA-N 448.317 4.148 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(CN2CCOCC2)ccc1C 503123905 CVSGKLASGIXDCS-UHFFFAOYSA-N 429.542 4.490 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1 503399025 JNMSWPYOSHNLQT-OAHLLOKOSA-N 445.541 4.123 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCc1ccc(Oc2ccccc2)cc1 504959046 GHAGFANSDNACFI-UHFFFAOYSA-N 447.447 4.392 5 20 IIBD COc1cccc([C@@H](C)N2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC2)c1 505515849 WTOIZPXQZZXCEA-OAHLLOKOSA-N 425.510 4.337 5 20 IIBD COc1cc(CN2CC=C(c3c[nH]c4ncccc34)CC2)c([N+](=O)[O-])cc1OC(F)F 506655585 UCUOEHMYCQWVMT-UHFFFAOYSA-N 430.411 4.370 5 20 IIBD Cc1cccc(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)c1[N+](=O)[O-] 506967350 MKGZVIQCRXDBJM-UHFFFAOYSA-N 433.302 4.144 5 20 IIBD COc1ccc(Br)cc1[C@H]1CCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] 507197800 SGBHDWBRDQQOEB-MRXNPFEDSA-N 434.290 4.142 5 20 IIBD COc1cc(OCC(=O)N2CCCC[C@H]2c2ncc(-c3ccccc3)[nH]2)ccc1[N+](=O)[O-] 507278757 JDKAYNUGBASCHZ-FQEVSTJZSA-N 436.468 4.126 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)c(Cl)c1 507900361 CFKWRBXVURLBID-CYBMUJFWSA-N 426.775 4.359 5 20 IIBD C[C@H](CC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)C1CCCCC1 508870346 MNLWCQBDSHFXJY-CYBMUJFWSA-N 437.543 4.429 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)c([N+](=O)[O-])c1 509580699 ZLQPPDFIZPONAV-UHFFFAOYSA-N 431.514 4.109 5 20 IIBD COc1cc(C(=O)N2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)cc([N+](=O)[O-])c1OC 512425002 WEJSSXXAHPNZTC-IBGZPJMESA-N 442.365 4.342 5 20 IIBD Cc1ccc(-c2csc(NC(=O)c3csc(-c4cnn(C)c4)n3)n2)cc1[N+](=O)[O-] 514573361 MPYVQJVDBKHXSP-UHFFFAOYSA-N 426.483 4.136 5 20 IIBD CC(C)(NC(=O)Nc1ccc(Cl)c(F)c1N1CCOCC1)c1ccc([N+](=O)[O-])cc1 516551069 GMMOGVYUYAAQPF-UHFFFAOYSA-N 436.871 4.281 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 519132209 KNKWKHMXDVEYKK-HNNXBMFYSA-N 427.457 4.430 5 20 IIBD COc1ccc([C@H](Cc2ccc(F)cc2)NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 519997179 YFZLOPIVGFTREM-IBGZPJMESA-N 430.457 4.005 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)Nc1ccccc1 520484763 NCABZDPVZBWQNJ-MRXNPFEDSA-N 439.493 4.446 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCC[C@@H](N2CCCC2=O)C1 521158351 MSNUIBLVEHLTHE-QGZVFWFLSA-N 443.887 4.268 5 20 IIBD COc1cc(C(=O)NC[C@H]2CCC[C@@H](O)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 521921189 SITSZKNIJBIOTE-XJKSGUPXSA-N 434.876 4.330 5 20 IIBD CC(=O)N1CCCc2cc(NC(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)ccc21 523334184 GYTHMJZURINKKX-UHFFFAOYSA-N 447.495 4.008 5 20 IIBD COc1ccccc1Oc1ccc(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 524691871 BBKXWIWDXVYRJR-UHFFFAOYSA-N 436.420 4.097 5 20 IIBD CC[C@H]1CCC[C@H](NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 524849255 BIPBYRQWLYUBGH-YJBOKZPZSA-N 431.514 4.094 5 20 IIBD CC(C)(C)C[C@H](NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 525097259 QBGRLUPNSKJPOG-IBGZPJMESA-N 446.935 4.341 5 20 IIBD CCOC(=O)c1sc(NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])nc1C(C)C 534592302 DGCQGMSJVLGSMD-UHFFFAOYSA-N 439.515 4.334 5 20 IIBD CN1CC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(Cl)c(F)c1 534958847 IZPPJHIRLLDSOA-JLTOFOAXSA-N 440.302 4.392 5 20 IIBD O=[N+]([O-])c1cc(CN2CCn3c(nnc3C(F)(F)F)C2)ccc1Oc1ccc(F)cc1 537618656 ISGYOLMATRTBDL-UHFFFAOYSA-N 437.353 4.152 5 20 IIBD O=C(NCC1CCN(c2ccncc2)CC1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 538997289 OSFGTMPQFZETSD-UHFFFAOYSA-N 432.480 4.429 5 20 IIBD Cc1cc(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] 539652547 HFJAJYLJVNYMAS-APWZRJJASA-N 435.402 4.470 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNc3nnc([C@H]4CCCO4)o3)o2)c(Br)c1 539693491 BBTBBYDZSISOGB-OAHLLOKOSA-N 435.234 4.464 5 20 IIBD O=C(Cc1ccc(OCc2ccccn2)cc1)NCCc1ccc(Cl)cc1[N+](=O)[O-] 539795023 RNRUPXJCANSVSH-UHFFFAOYSA-N 425.872 4.124 5 20 IIBD CC(C)[C@H]1C[C@H](NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCO1 540123657 VBKFOBJGZDHQSJ-VQIMIIECSA-N 443.466 4.150 5 20 IIBD CC(C)c1ccc(CCC(=O)N2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)cc1 541843423 QCGWVMFYWFRGHY-UHFFFAOYSA-N 435.528 4.266 5 20 IIBD CC(C)Cn1c(SC[C@H](O)COc2ccccc2[N+](=O)[O-])nnc1-c1ccccc1F 542191554 UPNHTZNBBLUWHF-OAHLLOKOSA-N 446.504 4.180 5 20 IIBD CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 544487123 RCZFGWBTKTUHMJ-UGKGYDQZSA-N 427.476 4.326 5 20 IIBD O=[N+]([O-])c1ccc2c(ccn2Cc2nc(-c3cc(Cl)ccc3O[C@H]3CCOC3)no2)c1 546493989 ZSKALSSZOVJYCF-INIZCTEOSA-N 440.843 4.469 5 20 IIBD O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 549919306 QZULZTDBCRSFCP-OAHLLOKOSA-N 426.370 4.149 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)NCCc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] 551417517 DDBHBCMZZNYCIM-UHFFFAOYSA-N 437.418 4.209 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CCN(C2CCC2)C1 553862289 RANJNKKAOGQNRN-QZTJIDSGSA-N 437.544 4.109 5 20 IIBD CC[C@@](C)(NC(=O)c1ccccc1)c1noc(CCOc2ccc(Cl)cc2[N+](=O)[O-])n1 554849651 ZHSVIHLUQDTHBJ-OAQYLSRUSA-N 444.875 4.308 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3cccc(O)c3)CC2)c([N+](=O)[O-])c1 556950878 XLULJCKANWINQX-XMMPIXPASA-N 446.507 4.111 5 20 IIBD CC(=O)NCC[C@@H]1CCCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 557521072 KAQIEZZRZLBSNQ-FQEVSTJZSA-N 447.539 4.186 5 20 IIBD Cc1nc(COc2ccc(NC(=O)c3cc([N+](=O)[O-])cc(Br)c3C)cc2)no1 559567189 NZNXAIOYGPEYND-UHFFFAOYSA-N 447.245 4.188 5 20 IIBD COc1ccc(Cc2noc(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1OC(F)F 568455405 JSDOZCQCIPHNQH-UHFFFAOYSA-N 446.410 4.446 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1C 570844523 YIDYXPWHTXIPES-AWEZNQCLSA-N 434.514 4.150 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC(c2noc3cc(F)ccc23)CC1 577105434 KAUBCYRTJRORPR-UHFFFAOYSA-N 440.431 4.053 5 20 IIBD Cc1ccc(-c2ccc(C(=O)N3CCN(C(=O)c4ccccc4[N+](=O)[O-])CC3)c(F)c2)cc1 582441476 DCIVIBNBDPIHKP-UHFFFAOYSA-N 447.466 4.308 5 20 IIBD CCCN(Cc1ccccc1Br)C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 603528819 SCUNHJFGKQEKNE-UHFFFAOYSA-N 437.290 4.427 5 20 IIBD COc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)c([N+](=O)[O-])c1 604043291 BGBVYDGZBTZPKI-UHFFFAOYSA-N 431.297 4.264 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 604465732 FPQFSPXHDUAMDE-QGZVFWFLSA-N 447.495 4.356 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N2c3ccccc3CC[C@H]2C(=O)Nc2ccccc2)c1 608872370 NALULDPZUZWEDG-QFIPXVFZSA-N 431.448 4.204 5 20 IIBD O=C(Nc1ccc(OCc2ccccn2)c(Cl)c1)c1cc([N+](=O)[O-])cc2c1OCCO2 608941436 NLHSVJFLJIIOPI-UHFFFAOYSA-N 441.827 4.246 5 20 IIBD CCCOc1cc(NC(=O)N2CCC[C@H](n3ccnc3)C2)c([N+](=O)[O-])cc1OCCC 609553051 TXZZPYUMYDBYLG-INIZCTEOSA-N 431.493 4.238 5 20 IIBD CC(C)(C)c1cc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)n(C(C)(C)C)n1 609556367 AXQOTEFHTYXKDW-UHFFFAOYSA-N 428.537 4.198 5 20 IIBD Cc1ccc(Cc2nnc(NC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])s2)cc1 609724021 SFZJCPFUMWDULH-UHFFFAOYSA-N 432.889 4.407 5 20 IIBD COC(=O)c1occc1CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@H](C)c1ccccn1 609861942 WPIPNXGMBKHUBZ-CYBMUJFWSA-N 443.843 4.426 5 20 IIBD CC(C)(C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])cc1 610065993 JFHJRFHZHWBWBJ-UHFFFAOYSA-N 445.947 4.185 5 20 IIBD CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 610711605 OACIHEDJQVOSSH-FQEVSTJZSA-N 428.460 4.323 5 20 IIBD CC[C@H](CO)NC(=O)Cc1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 610911212 OOLCGFRIFHJBBF-GOSISDBHSA-N 439.537 4.365 5 20 IIBD C[C@H](C(=O)Nc1nc2c(s1)CCN(Cc1ccccc1)C2)c1ccc([N+](=O)[O-])cc1F 612458884 XBDWREIWLOBQCF-AWEZNQCLSA-N 440.500 4.491 5 20 IIBD O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 612480873 JSWJLXKXOIJMRB-GOSISDBHSA-N 445.585 4.398 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 619466548 XJORUGSKXMHLQT-UHFFFAOYSA-N 442.453 4.048 5 20 IIBD Cc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)c2ccccc2n1 727329104 DJWIMIPETJWECO-UHFFFAOYSA-N 444.413 4.433 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N[C@@H](c1ccccc1)[C@@H]1CCCO1 727828935 DNQJCXQJPHHZBI-IRXDYDNUSA-N 430.404 4.221 5 20 IIBD O=C(NC[C@H]1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1)Nc1cccc(F)c1 728522125 KSANYNBAYQHAOJ-CYBMUJFWSA-N 434.855 4.061 5 20 IIBD CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC1 729522798 SUHOOHUSQJBKRM-LJQANCHMSA-N 439.512 4.075 5 20 IIBD O=C(NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1C[C@@H]1c1cccc2ccccc12 730918409 MDOSDXDHUWLVLX-SJORKVTESA-N 430.869 4.010 5 20 IIBD O=C1COc2ccc([N+](=O)[O-])cc2N1Cc1nc(C(c2ccccc2)c2ccccc2)no1 731787719 DKPCWLVPXIRULW-UHFFFAOYSA-N 442.431 4.084 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCc2nc3cc(F)ccc3n2C)cc1[N+](=O)[O-])c1ccccn1 731883893 PEHYEJTUPTYAIH-AWEZNQCLSA-N 448.458 4.119 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)cc1OC 732519221 ZEJYUXTXXOSQPR-NSHDSACASA-N 449.847 4.076 5 20 IIBD CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 732741113 UYCUHWNDXJXZPE-UHFFFAOYSA-N 448.863 4.264 5 20 IIBD O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1cccnc1SC(F)(F)F 733689016 UPZVJMMKVVAPIQ-UHFFFAOYSA-N 442.419 4.070 5 20 IIBD Cc1c(C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 734782422 CLXKEEDFSLCXRE-INIZCTEOSA-N 426.473 4.075 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N1CC[C@H](CN2CCCC2)C1 739926629 QDQFYUBZXSZUMN-VGSWGCGISA-N 442.947 4.346 5 20 IIBD CN1C(=O)C[C@H](COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc(Cl)c1 740563039 VNDBJACHARSIJU-QRWLVFNGSA-N 430.888 4.289 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2cccnc2Nc2ccccc2F)cccc1[N+](=O)[O-] 741818355 FXXJQSSPOBNCEK-AWEZNQCLSA-N 438.415 4.365 5 20 IIBD O=[N+]([O-])c1cccc(/C(O)=C(/C(=S)N[C@H]2CCOc3ccccc32)[n+]2ccccc2)c1 742143322 IJQTVASGIMLAEQ-IBGZPJMESA-O 434.497 4.207 5 20 IIBD O=C(OCC(=O)c1cnc(N2CCCCC2)s1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 747119414 QHEJBZWDSMUQEN-UHFFFAOYSA-N 443.403 4.100 5 20 IIBD Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 748914750 AXDZMLOTWXRYAM-UHFFFAOYSA-N 427.844 4.150 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cccc(Cl)c1[N+](=O)[O-] 749878298 BGYBMRWHWTZNQF-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD COc1ccc(NC(=O)c2cccc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])c2)cn1 749933874 MNAYVUKJHIYLJR-UHFFFAOYSA-N 426.816 4.156 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])s1)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 750109808 NVMXQHHRTGZUFI-NSHDSACASA-N 445.478 4.154 5 20 IIBD O=C(Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1)c1cc(F)c(F)cc1[N+](=O)[O-] 750564180 IBFBTZUTRUQCER-UHFFFAOYSA-N 431.374 4.249 5 20 IIBD Cn1ccnc1[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccc(Cl)cc1 751069645 BVYYYMBFKYXCAT-MRXNPFEDSA-N 449.692 4.264 5 20 IIBD Cc1noc(C)c1CSc1ncccc1C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1 751634746 IIXWARMXXWOEIE-UHFFFAOYSA-N 440.437 4.385 5 20 IIBD Cc1nc(COC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)no1 752465450 FFQGQZQDTYACEO-UHFFFAOYSA-N 436.468 4.102 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1[N+](=O)[O-] 753069522 VMPUJGCTSJHJNV-UHFFFAOYSA-N 433.269 4.172 5 20 IIBD O=C(COC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)c1cccc([N+](=O)[O-])c1 753488154 WFQSSNPYRSOWPI-UHFFFAOYSA-N 425.418 4.134 5 20 IIBD O=C(CCCCc1ccc(Cl)c(Cl)c1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 753527965 XPUKLMMVWIFINM-UHFFFAOYSA-N 431.297 4.120 5 20 IIBD Cc1cnccc1CCNc1ccc([N+](=O)[O-])c(NCCc2ccncc2C)c1[N+](=O)[O-] 754794213 IFLBZODGUZDSFT-UHFFFAOYSA-N 436.472 4.219 5 20 IIBD O=C(Nc1cnc(Br)c(Br)c1)c1cccc(Cl)c1[N+](=O)[O-] 757827002 CONQNACBMWVNGK-UHFFFAOYSA-N 435.459 4.421 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cnc(Br)c(Br)c1 757831845 UDPLUZMAIWMANE-UHFFFAOYSA-N 447.108 4.246 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 759214030 NAFADMILVJDQNG-KRWDZBQOSA-N 447.532 4.002 5 20 IIBD CCNc1nc(C)c(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)s1 759225266 WQAIKIBRJLMOMT-INIZCTEOSA-N 446.529 4.033 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)OCc2cc(F)cc3c2OCOC3)CC1 760848183 TUHSTLBXWMJSTC-UHFFFAOYSA-N 430.432 4.194 5 20 IIBD C[C@@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C(=O)N1CCC[C@H]1c1cccs1 762999480 OWQMBNIUIVNXNG-DYVFJYSZSA-N 434.489 4.368 5 20 IIBD C[C@@H](OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1nc2ccccc2n1C(F)F 763853917 IPIZHSPPHVUNAI-GFCCVEGCSA-N 427.367 4.443 5 20 IIBD CC(C)(C)OC(=O)N1CC(CCOC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 764806438 WJWCBDCYXLBVRE-UHFFFAOYSA-N 433.486 4.132 5 20 IIBD Cc1ccc(F)c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1F 766977578 GWZYLAAHVMMWQO-SECBINFHSA-N 432.301 4.384 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Oc1ccc([N+](=O)[O-])c2ncccc12 770284018 SISRFEPYYQQWTK-UHFFFAOYSA-N 444.208 4.126 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 775088690 FFALEWYIIVAUTB-UHFFFAOYSA-N 444.425 4.411 5 20 IIBD COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C 775280618 JMTKYACFDJMWPG-UHFFFAOYSA-N 449.312 4.426 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Oc2cc(Cl)cnc2Br)cc1SC 775511172 WPSUBALXMIBUBS-UHFFFAOYSA-N 433.667 4.355 5 20 IIBD O=C(O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1cc(N2CCOC2=O)ccc1F 776134692 OKROIKQJPWHYFX-FQEVSTJZSA-N 437.383 4.032 5 20 IIBD O=C(Cc1csc(-c2cccnc2)n1)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776218437 QSFXUYZHHIRPMZ-NRFANRHFSA-N 432.461 4.384 5 20 IIBD CSc1cccc(C(=O)O[C@H](C(=O)N[C@H]2CCOc3ccccc32)C(C)C)c1[N+](=O)[O-] 777074189 QNMMZFUHPZFAPD-JXFKEZNVSA-N 444.509 4.138 5 20 IIBD O=Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCCO2)c([N+](=O)[O-])c1 779334202 JGYUOUHLKGQODL-INIZCTEOSA-N 448.859 4.026 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 779383358 CHDIWJBNCOFJGS-QUCCMNQESA-N 435.883 4.228 5 20 IIBD CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)OCc1ccc([N+](=O)[O-])c(C)c1 781172156 UWOYOWWYFXUWNI-OAHLLOKOSA-N 437.539 4.311 5 20 IIBD C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 782377529 VBZNFGDZQIGWEI-NSHDSACASA-N 437.330 4.174 5 20 IIBD O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 783319195 LVXXVSAZIAXRKJ-UHFFFAOYSA-N 441.793 4.054 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(C)CCN(C(=O)OC(C)(C)C)CC1 784430783 BVNHRCLYRXPIJR-OAHLLOKOSA-N 437.562 4.229 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 785380073 AHCPVYZPDFNWEZ-HNNXBMFYSA-N 445.438 4.410 5 20 IIBD O=[N+]([O-])c1cc(Br)c(F)cc1OC[C@@H](O)COCc1ccc(Cl)cc1 790139843 QGKAYLGMUOBAOM-LBPRGKRZSA-N 434.645 4.106 5 20 IIBD Cc1c(CNC(=O)N2CCC3(CC2)CCN(C(=O)OC(C)(C)C)CC3)cccc1[N+](=O)[O-] 790560663 SDMJHHUCUOLPMR-UHFFFAOYSA-N 446.548 4.226 5 20 IIBD O=C(c1cc(F)c(F)c(F)c1F)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791235780 RZNAMYXKLKJZNO-UHFFFAOYSA-N 433.155 4.112 5 20 IIBD O=C(COC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccc(F)cc2)cs1 798128035 JZYFOPMOBIZKHK-KMKOMSMNSA-N 427.413 4.053 5 20 IIBD O=[N+]([O-])c1ccc(Cn2c(Br)nc(Br)c2Br)cc1 799176292 LNQPOLLPGQORPV-UHFFFAOYSA-N 439.889 4.127 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 800149185 WKRGPUJBFZPMHW-UHFFFAOYSA-N 443.456 4.120 5 20 IIBD O=[N+]([O-])c1ccc(F)c(NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCCCO2)c1 800928699 RXVTYJMNQBACMW-AWEZNQCLSA-N 444.868 4.136 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(CNC(=O)OC(C)(C)C)c1 801627911 FOOXTFBUDTVCNE-UHFFFAOYSA-N 428.489 4.326 5 20 IIBD CN(C)C(=O)Sc1cc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)ccc1Cl 805436774 WEMNSJLTBKLLGW-UHFFFAOYSA-N 445.888 4.460 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)O[C@H](C)c1ccc(SCC(=O)N(C)C)cc1 809319867 RSWJCTFFZSTMBP-CQSZACIVSA-N 432.498 4.092 5 20 IIBD C[C@@H](NC(=O)Cc1noc(-c2cc([N+](=O)[O-])ccc2N2CCCCC2)n1)c1ccccc1 809458071 NOZZELDILCFAAF-MRXNPFEDSA-N 435.484 4.055 5 20 IIBD O=[N+]([O-])c1cc(Cl)c(OS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cc1F 809845083 BYGMOGDBCBIZQC-UHFFFAOYSA-N 445.595 4.370 5 20 IIBD COc1ccc(C)cc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 812327979 YFHPWAUNELDGBU-UHFFFAOYSA-N 449.463 4.319 5 20 IIBD CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 815229035 AMYRIDFQWPVHAL-CYBMUJFWSA-N 431.411 4.085 5 20 IIBD Cc1cc(Cl)ccc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 823194497 GFVRPYBBDFXGCI-UHFFFAOYSA-N 431.876 4.342 5 20 IIBD Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)Cn1c2ccccc2c(=O)c2ccccc21 836793201 VJNZKDUAUUBWKE-GJZUVCINSA-N 437.543 4.298 5 20 IIBD C[C@@H](OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(=O)Nc1ccc2ccccc2c1 849194449 NJHZWVWADGKZDZ-OAHLLOKOSA-N 430.420 4.118 5 20 IIBD O=C(NCCCSc1ccccc1)c1cc([N+](=O)[O-])ccc1I 915276415 WCLMAHZADXVONT-UHFFFAOYSA-N 442.278 4.112 5 20 IIBD COc1ccc2c(C)c(CCC(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)c(=O)oc2c1 915283575 UJXYOTHEZXRQPT-UHFFFAOYSA-N 448.378 4.191 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 916477338 YRAQWZWNUZISFA-UHFFFAOYSA-N 429.370 4.330 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)CCc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 918636820 GVGPEIVDZMDJQQ-HXUWFJFHSA-N 428.460 4.295 5 20 IIBD COc1ccc(COC(=O)Cn2c(COc3ccccc3)nc3ccccc32)cc1[N+](=O)[O-] 918818295 ORBKQHXACCYDAE-UHFFFAOYSA-N 447.447 4.276 5 20 IIBD Cc1cccc(-c2nc(CC(=O)OCc3nc(-c4ccc([N+](=O)[O-])cc4)no3)cs2)c1 919003210 ACQFBTIWYJUELU-UHFFFAOYSA-N 436.449 4.363 5 20 IIBD O=C(NCCOC(=O)c1ccccc1SC(F)(F)F)c1ccc([N+](=O)[O-])cc1Cl 920148318 KOXZLKLCYNSBAI-UHFFFAOYSA-N 448.806 4.447 5 20 IIBD Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)OCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 920149311 XXAHIJRKZCCCOO-HNNXBMFYSA-N 448.903 4.421 5 20 IIBD C[C@H](OC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 920650862 BKRRLUWVXUPJIL-NSHDSACASA-N 449.250 4.271 5 20 IIBD C[C@@H](OC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)c1ncc(-c2ccc(Cl)c(Cl)c2)o1 1116355630 GLOZEASAYOIHMX-SNVBAGLBSA-N 438.223 4.023 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2C[C@@H]3CCCC[C@@]32c2ccccc2)cc1[N+](=O)[O-] 1319178121 PLYLPCZLUZJNBD-FDDCHVKYSA-N 449.536 4.416 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)CN(C)C(=O)OC(C)(C)C 1320053729 ZSGNMVNKGBHHKL-CQSZACIVSA-N 425.551 4.328 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)NC1(c2ccc(NC(=O)c3cc[nH]c3C)cc2)CCC1 1788809375 GFIHXJHNFMLUQV-UHFFFAOYSA-N 448.479 4.307 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)C(F)(F)c3ccco3)CCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 1790185969 ABTFJLVIWYWPFP-UHFFFAOYSA-N 444.394 4.056 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCCC2(CCN(C(=O)C3CCCCC3)CC2)C1 1805682256 MGWBVLFKYDPIMY-VQHVLOKHSA-N 429.517 4.013 5 20 IIBD CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1826402053 ZEUVKHMZAFYOSL-NRFANRHFSA-N 429.561 4.193 5 20 IIBD CC(C)/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1832513562 ZVMWPXHIGBLECC-JTFUDZLHSA-N 439.556 4.440 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCCC[C@H]1C1CCN(C(=O)C2(F)CCC2)CC1 1832904802 XADBLXZVUSBZTE-XTXLJPNXSA-N 443.519 4.120 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(OCC(=O)c2ccc3ccccc3c2)c([N+](=O)[O-])c1 8776660 ONQLUQUMIUJQOB-UHFFFAOYSA-N 442.493 4.040 5 20 IIBD CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 9487749 PNPLPGYLOGAMGS-KGLIPLIRSA-N 430.457 4.310 5 20 IIBD O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NC(=O)NC12CC3CC(CC(C3)C1)C2 10592488 FBVOGACCJBTACK-UHFFFAOYSA-N 446.554 4.091 5 20 IIBD C[C@@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1Cl 10733795 NAUMBHOKEQWBRG-GFCCVEGCSA-N 435.839 4.172 5 20 IIBD CCOC(=O)c1cc(C(=O)O[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)cc([N+](=O)[O-])c1 10857189 IOESXUGFUSMBFZ-HDDXYUSQSA-N 429.469 4.102 5 20 IIBD O=C(COC(=O)Cc1cccc2ccccc12)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 11079888 CZFFPQQYDJUBAM-UHFFFAOYSA-N 432.354 4.491 5 20 IIBD O=C(Nc1ccc(OS(=O)(=O)c2ccc(Cl)s2)cc1)c1cccc([N+](=O)[O-])c1 14100295 QQZOHZUCOLNKBR-UHFFFAOYSA-N 438.870 4.330 5 20 IIBD O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCc2ccccc2C1 15339055 NIROFIUKXUUTOJ-UHFFFAOYSA-N 433.430 4.415 5 20 IIBD O=C(COC(=O)c1ccc(-n2cccc2)cc1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 17182797 UDGDFULHPDXNPF-UHFFFAOYSA-N 433.342 4.200 5 20 IIBD COc1cc(OC)c(OC)cc1CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 18157083 PZJFMUQTIXMALW-UHFFFAOYSA-N 437.452 4.294 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)NCc1cn(-c2ccccc2)nc1-c1ccccc1 18157346 WKULGTKJFWDLIP-UHFFFAOYSA-N 428.448 4.143 5 20 IIBD O=C(COC(=O)CSc1ccccc1[N+](=O)[O-])Nc1ccccc1SC(F)F 21466997 HVMZDYFFDCLPLX-UHFFFAOYSA-N 428.438 4.184 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 25868484 UOOLXKFEEDWRFE-UHFFFAOYSA-N 446.301 4.157 5 20 IIBD COc1cc(C(=O)Nc2c(-c3ccccc3)nc3c(C)cccn23)c([N+](=O)[O-])cc1OC 60639728 BGIQPBYMVDYDOL-UHFFFAOYSA-N 432.436 4.487 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2c(C)noc2C)c([N+](=O)[O-])c1 63255134 YTPQTELFNMZZRD-UHFFFAOYSA-N 430.486 4.027 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 63641044 XFIGBWDEVVQZLU-XJKSGUPXSA-N 449.891 4.254 5 20 IIBD C[C@H]1CN(Cc2ccccc2NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)O1 64806441 DFHANQHNLFIEHJ-OWCLPIDISA-N 447.919 4.263 5 20 IIBD Cc1c(C(=O)Nc2ccnn2Cc2cccc3ccccc23)cc([N+](=O)[O-])cc1[N+](=O)[O-] 71924751 LDCAKICZHXOKEH-UHFFFAOYSA-N 431.408 4.462 5 20 IIBD CSC1(CNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCOCC1 237491540 NIVUUMIVYCBJOD-UHFFFAOYSA-N 438.553 4.449 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] 301265461 TZAJLKJYQBRMHJ-UHFFFAOYSA-N 436.440 4.006 5 20 IIBD CCc1cc(N2CCC(Nc3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])CC2)ncn1 301481149 DVDOVIWGOXBPAO-UHFFFAOYSA-N 431.496 4.259 5 20 IIBD O=C(Nc1ccc2nc(-c3ccc(F)cc3)oc2c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 303415111 AZFOZZRRGXJRDR-UHFFFAOYSA-N 444.382 4.375 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N(Cc1ccccc1Br)C1CCCC1 427098755 CINYTLJCWQVXRS-UHFFFAOYSA-N 435.322 4.224 5 20 IIBD Cc1ccccc1[C@@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)C(C)C 430336845 ZYWVXCORKFYQIQ-SFHVURJKSA-N 448.317 4.426 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(-c2nc(-c3ccc(N4CCCCC4)nc3)no2)c1 431315198 XFOOCYJCVCPVOZ-UHFFFAOYSA-N 430.262 4.460 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCc1noc(-c2ccccc2F)n1 432922309 LTTLKARNZRURTI-UHFFFAOYSA-N 433.268 4.445 5 20 IIBD CC(C)n1c([C@@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)nc2ccccc21 433688413 KIYRADZLGZQIJH-SFHVURJKSA-N 432.477 4.190 5 20 IIBD Cc1ccn(C2CCN(C(=O)c3ccc(N[C@@H](C)c4ccccn4)c([N+](=O)[O-])c3)CC2)n1 434032649 RVLFIAHEIPFLBL-KRWDZBQOSA-N 434.500 4.145 5 20 IIBD O=C(NCCOc1ccc(Cl)cc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 435838778 ZYOMJNCHHBBFBX-UHFFFAOYSA-N 428.822 4.422 5 20 IIBD CN(C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccc([N+](=O)[O-])nc1 439292828 BOKNOJBKZHMBFA-LJQANCHMSA-N 438.871 4.167 5 20 IIBD CC(=O)N1CC[C@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c2ccccc21 444257658 QHNPANDGOQMJTM-NRFANRHFSA-N 447.441 4.187 5 20 IIBD C[C@@H](NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)c1ncn(C)n1 444435000 SLEPUEVRRYSNPW-DSQDWWTGSA-N 448.508 4.141 5 20 IIBD Cc1c(NC(=O)NCc2cnn(-c3ccc(Br)cc3)c2)cccc1[N+](=O)[O-] 444832644 COFJHCPAHPPPML-UHFFFAOYSA-N 430.262 4.173 5 20 IIBD CCCOc1c(Cl)cc(/C=C\c2nc(-c3c([N+](=O)[O-])ncn3C)no2)cc1OCC 445579501 NRPILIQONBKSCX-SREVYHEPSA-N 433.852 4.390 5 20 IIBD O=C(c1cccc(OCc2cn3ccccc3n2)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 446577099 JZCVRHZXMUSEHB-UHFFFAOYSA-N 428.448 4.020 5 20 IIBD COc1ccc(CNCC2CCN(C3CC3)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 446886557 HAGXYRQWNZIUTC-UHFFFAOYSA-N 425.529 4.146 5 20 IIBD CC(C)N(Cc1ccc(F)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 447029345 KWKMYQFGXLTJIF-UHFFFAOYSA-N 431.283 4.096 5 20 IIBD Cc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])s2)c2cccc(S(C)(=O)=O)c2)c(C)c1 460566400 RPSADZKPJYEVCE-HXUWFJFHSA-N 444.534 4.196 5 20 IIBD CNC(=O)c1cc(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2F)ccn1 461215558 JKKLLVLWCPOFBQ-UHFFFAOYSA-N 444.806 4.187 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1C[C@@H](CO)[C@H](c2ccc(Cl)cc2)C1 461268011 UCZVZRRJJSGFLK-YJBOKZPZSA-N 443.912 4.220 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(Cc3nnc(-c4ccc(Br)o4)o3)CC2)cc1 464780357 WFDBFLVAHSZZML-UHFFFAOYSA-N 449.261 4.044 5 20 IIBD COc1ccc([C@@H]2CCCCCN2C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 465055680 NPGHXQQSISFLHJ-IBGZPJMESA-N 426.469 4.061 5 20 IIBD Cc1nn(C)c2c1N(C(=O)c1ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c1)CCO2 466875559 YKQWMPQGBLZLSV-UHFFFAOYSA-N 444.900 4.481 5 20 IIBD CC(C)(C)S(=O)(=O)c1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 468103604 UQKIOQSEPILPJL-UHFFFAOYSA-N 441.303 4.182 5 20 IIBD CCNC(=O)Nc1cccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1C 468991999 PYJIUZODPGOZMW-UHFFFAOYSA-N 425.470 4.420 5 20 IIBD C[C@@H](NC(=O)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 474116376 SPDQIPQXZDCIOW-QLJPJBMISA-N 431.798 4.361 5 20 IIBD COc1ccc(CNC(=O)c2c(-c3c(Cl)cccc3OC)noc2C)cc1[N+](=O)[O-] 475027583 CHRVWKRQPWHMLG-UHFFFAOYSA-N 431.832 4.159 5 20 IIBD COc1ccc(CNC(=O)N[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)cc1[N+](=O)[O-] 482390312 RMLYMNYHTAGAPW-HNNXBMFYSA-N 449.332 4.308 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 483183675 PICWOUZJMIUAML-UHFFFAOYSA-N 435.496 4.379 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Sc1nc(C2CC2)nc2c1c(O)nc(=O)n2C1CC1 484576241 XFIQTHYUNTVMSQ-LLVKDONJSA-N 439.497 4.174 5 20 IIBD COC(=O)c1csc(-c2cccc(CNC(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)c2)n1 484681091 MYKFSIUFEAEGIK-UHFFFAOYSA-N 440.481 4.443 5 20 IIBD Cc1ccc(Br)cc1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 485966723 MUJOWLJGSVYGHU-UHFFFAOYSA-N 448.302 4.198 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)C(=O)N1CCCC[C@H]1C 486132744 INZROOLIBXVMMJ-HZPDHXFCSA-N 427.526 4.265 5 20 IIBD COC(=O)[C@@H](C)[C@@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccccc1 486191307 JMECUGUQJZGFIH-GAJHUEQPSA-N 448.475 4.454 5 20 IIBD C[C@]1(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCCCN1C(=O)c1ccccc1 486719583 HKFRIDJSWSPAJL-OAQYLSRUSA-N 449.429 4.315 5 20 IIBD CC(C)n1cnnc1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 487179678 PRBBPYGKRYABFZ-LJQANCHMSA-N 448.527 4.399 5 20 IIBD O=[N+]([O-])c1cc(CNCc2c[nH]nc2-c2ccc3c(c2)OCCO3)cc(C(F)(F)F)c1 487206944 OTSALMRQKYRMOV-UHFFFAOYSA-N 434.374 4.065 5 20 IIBD Cc1nc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)sc1Cc1ccc(Cl)cc1F 487629160 FCNISCIXTZSPQN-UHFFFAOYSA-N 437.884 4.313 5 20 IIBD CC(C)[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc2c(c1)OCCO2 489813587 VMEGGMFPTYQMQS-QFIPXVFZSA-N 425.485 4.437 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1cc(F)c(Br)c(Cl)c1 492181578 UKAOIMKQXRTGAF-UHFFFAOYSA-N 442.632 4.348 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)cc1[N+](=O)[O-] 493129377 FGQZYNHEFYLYAO-MRXNPFEDSA-N 434.500 4.339 5 20 IIBD CCC(C)(C)OCc1cccc(NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c1C 495069886 UPAWNJOGXVGHRI-UHFFFAOYSA-N 429.473 4.388 5 20 IIBD C[C@H]1CN(Cc2ccccc2NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H](C)O1 497796495 YTSGLLZCXHBGDZ-OKILXGFUSA-N 435.427 4.058 5 20 IIBD CC(C)(C)C(=O)NCc1ccc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 498149457 KYNDXMBWIARXTK-HXUWFJFHSA-N 427.526 4.145 5 20 IIBD Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 498758320 LCNDVRDTMCAGCS-GOSISDBHSA-N 432.546 4.287 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 499880226 IGIIIMZBUWKSLF-UYAOXDASSA-N 432.908 4.058 5 20 IIBD Cc1cc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)ccc1S(C)(=O)=O 500297821 FKZGLTDLOWAULU-GJZGRUSLSA-N 445.541 4.041 5 20 IIBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(Oc2ccnc3ccccc23)cc1 501405173 LFLDBWQEJCQJKF-UHFFFAOYSA-N 442.431 4.304 5 20 IIBD CCN(CC(=O)Nc1c(F)cccc1F)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 505628025 CCIRUIFXIADYBL-UHFFFAOYSA-N 432.452 4.457 5 20 IIBD CNC(=O)c1ccc(CN(C)Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)cc1 506150189 IDYFDVNINFQIEZ-UHFFFAOYSA-N 449.507 4.174 5 20 IIBD CCCN(C(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@H](C)c1cc2ccccc2o1 507503244 VRESDLONFGYZAJ-OAHLLOKOSA-N 439.468 4.079 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 511784829 LXYAWCMWLGKVLA-LAUBAEHRSA-N 448.926 4.264 5 20 IIBD O=C(NCC(=O)N1CCc2ccccc2[C@@H]1c1ccccc1)c1c(Cl)cccc1[N+](=O)[O-] 512603506 XUFDCKHZVPSYBT-QHCPKHFHSA-N 449.894 4.152 5 20 IIBD COc1ccc(Cl)cc1C1(CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CCOCC1 514822729 XLABNTSNAZOHCN-HNNXBMFYSA-N 432.904 4.225 5 20 IIBD O=C(c1cc(Cl)cc(Cl)c1)N1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 515545463 UYTAUADHZSDATR-UHFFFAOYSA-N 431.279 4.412 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cccnc1SCc1ccc(F)cc1 515788094 QVKOHKGIGKXEIN-UHFFFAOYSA-N 426.473 4.263 5 20 IIBD CC(=O)N(c1ccc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1)[C@H]1C[C@@H]1C 516206680 BOSYASJEPAEOJE-QKKBWIMNSA-N 433.468 4.009 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1C 516546572 MCTWYBHIMTZFIO-HNNXBMFYSA-N 431.539 4.390 5 20 IIBD CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)CSc1ncccc1[N+](=O)[O-] 520086829 PVONZWGVPYQIPE-UHFFFAOYSA-N 446.510 4.124 5 20 IIBD O=C(Nc1cccc(COc2cccc(F)c2)c1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 520227907 HWPYCTYNXOWIMB-UHFFFAOYSA-N 433.399 4.146 5 20 IIBD Cc1ccc(C)c(Oc2ccc(CNS(=O)(=O)c3ccc(C)cc3[N+](=O)[O-])cn2)c1 523501426 LIACMPDDNZTPHV-UHFFFAOYSA-N 427.482 4.186 5 20 IIBD CCN(CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)Cc1ccccc1 524606856 MRCBBOKJCSLUCO-KRWDZBQOSA-N 434.334 4.040 5 20 IIBD C[C@H]1CN(Cc2ccc(C(=O)N3CCS[C@H]3c3ccc([N+](=O)[O-])cc3)cc2)C[C@@H](C)O1 525618470 SBUOHTPUNPGVLH-MFEFFIJZSA-N 441.553 4.092 5 20 IIBD CC[C@@H](C)Sc1ccc(NC(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)c(C)c1 525691027 QSXDMCKSANGOCZ-GFCCVEGCSA-N 437.543 4.002 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1cc(Cl)cc2cccnc12 527365249 SKDGIOGNAZXUPG-UHFFFAOYSA-N 426.860 4.172 5 20 IIBD COC(=O)[C@H]1CN(C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc21 530553174 DWXNMQKOTCYKOF-ZDUSSCGKSA-N 440.399 4.009 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(Br)cc2)c(F)c1 530729271 OHSMSIGVQCKATJ-HNNXBMFYSA-N 429.267 4.022 5 20 IIBD COc1cc(CCNC(=O)COc2ccc([N+](=O)[O-])c3ccccc23)ccc1OC(F)F 532303065 HFAXJGYPPNQKTM-UHFFFAOYSA-N 446.406 4.096 5 20 IIBD COc1ccc(CC(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cc1[N+](=O)[O-] 532504622 MUYGDXRLXAGFND-GFCCVEGCSA-N 429.420 4.027 5 20 IIBD Cc1ccc(Sc2ccc(CNc3cccc(C(=O)NCCO)c3)cc2[N+](=O)[O-])cc1 532728454 AKBSWJNJZXTSEK-UHFFFAOYSA-N 437.521 4.389 5 20 IIBD O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)c1c[nH]c2cccc([N+](=O)[O-])c12 534223566 MFQBCQSFAPBMMU-UHFFFAOYSA-N 438.447 4.254 5 20 IIBD CC[C@H]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3SCCC(=O)OC)sc2C1 534964020 BYSIQXMENJNPHX-LBPRGKRZSA-N 449.554 4.474 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1OC 538052649 UQCXKXDCKZKXKF-BEFAXECRSA-N 438.839 4.055 5 20 IIBD COc1ccc(NC(=O)NCc2cccc(NC(=O)c3ccc(C)cc3)c2)cc1[N+](=O)[O-] 542032620 KXVLVXFGIQUJEI-UHFFFAOYSA-N 434.452 4.486 5 20 IIBD C[C@@H](CN(C)C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1nccs1 542348056 FXONNZFKKJBOIQ-LSDHHAIUSA-N 425.514 4.495 5 20 IIBD COc1cc(Br)ccc1CCCNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F 543508293 LQLJZKZWEOPOHU-LBPRGKRZSA-N 439.281 4.358 5 20 IIBD COc1ccc2oc([C@@H](C)NCCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)c(C)c2c1 544476687 HSSDHKJIZHVFGE-CQSZACIVSA-N 425.441 4.307 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 544572104 HUVFORUTLVYVNJ-MOPGFXCFSA-N 442.459 4.313 5 20 IIBD C[C@@H](CNC(=O)c1ccccc1)c1noc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1 545758440 ZNMJSUMSXLYHIS-ZDUSSCGKSA-N 435.465 4.302 5 20 IIBD CN1CCCN(c2ccc(-c3noc(Cc4cccc([N+](=O)[O-])c4)n3)cc2Cl)CC1 545775658 MSWXFMWOJJLACQ-UHFFFAOYSA-N 427.892 4.031 5 20 IIBD COc1cc(C(=O)NC(C)(C)c2ccc(C)nc2)c([N+](=O)[O-])cc1OCc1cscn1 546066964 SBRSGEOFBHWFAM-UHFFFAOYSA-N 442.497 4.007 5 20 IIBD COc1cc(Cc2noc(-c3cc(OC)c(Br)s3)n2)ccc1[N+](=O)[O-] 546468992 RBIGVVRJFHZBRF-UHFFFAOYSA-N 426.248 4.077 5 20 IIBD Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 546670295 MGYZVFXNVWVTSR-UHFFFAOYSA-N 439.903 4.597 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn(-c2ccc(Br)cc2)c1 547373284 ZWOZUVBZRPKDIY-UHFFFAOYSA-N 431.246 4.194 5 20 IIBD COc1cc(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)c([N+](=O)[O-])cc1OCc1cscn1 560982347 OFPZGXCKNQOXKS-WBVHZDCISA-N 443.456 4.064 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCCO)N1CC[C@H](Sc2cccc(Cl)c2)C1 565115731 LUXVCTIINWOMSQ-INIZCTEOSA-N 438.958 4.339 5 20 IIBD COc1cc(Cc2noc(-c3cnn(-c4ccccc4Cl)c3)n2)c([N+](=O)[O-])c(OC)c1 565637575 LDSLEKJYXPNSIA-UHFFFAOYSA-N 441.831 4.092 5 20 IIBD Cc1cc(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)nn1C1CCCCC1 572450744 RQBPMSGSFPUTHA-ZDUSSCGKSA-N 439.438 5.063 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](c1cncc(Br)c1)C1CC1 577115076 NLLZCAMWWOQFSI-IBGZPJMESA-N 433.306 4.130 5 20 IIBD C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 603901964 YMQOAYNIDRZRTJ-AWEZNQCLSA-N 432.318 4.319 5 20 IIBD COc1ccc(CNC(=O)COc2ccc3cc(Br)ccc3c2)cc1[N+](=O)[O-] 604017542 GMFMJHZCYLLOJP-UHFFFAOYSA-N 445.269 4.214 5 20 IIBD CCc1cc(O)nc(-c2ccc(NCCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc2)n1 609463244 DJKZUZUEZBQNNY-UHFFFAOYSA-N 448.405 4.258 5 20 IIBD CCCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)[C@H](c1ccc(F)cc1)c1cccnc1 609522743 KCXQYNBNYBKWDE-HSZRJFAPSA-N 439.491 4.361 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 609545458 OFJOJMKQCNCPOQ-UHFFFAOYSA-N 437.880 4.437 5 20 IIBD O=C(O)CCc1ccc(S(=O)(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 609761443 OXNRBAZGCJRDEU-UHFFFAOYSA-N 442.449 4.205 5 20 IIBD CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 609772910 JKHJBNIIJCWXBD-HZPDHXFCSA-N 426.473 4.156 5 20 IIBD COc1cc(C(=O)N[C@H](C)[C@H](OC)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC(F)F 609865775 GBPAVYRQMSGGTO-QGHHPUGFSA-N 444.818 4.364 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CCCCC[C@H]2c2ccco2)cc1[N+](=O)[O-] 609908987 JRVBHODROKBXMI-HNNXBMFYSA-N 427.486 4.225 5 20 IIBD CC[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(F)cc1F 609977121 JGHHMZSHOXNKNQ-AZUAARDMSA-N 431.439 4.054 5 20 IIBD CNc1ccc(C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)cc1[N+](=O)[O-] 610201031 PBJGVMUVSSDKFU-UHFFFAOYSA-N 444.289 4.091 5 20 IIBD CCc1nnc(CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2C)s1 612046335 GFIIRQNHYPMETP-UHFFFAOYSA-N 432.527 4.021 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCCC[C@H]2c2ccccc2OC)c(C)c([N+](=O)[O-])c1 617018751 UQRARXAEPCHYPJ-SFHVURJKSA-N 427.457 4.458 5 20 IIBD Cc1ccc(C(=O)N2CCC[C@@H](COC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)C2)o1 726359636 SASNZRGAPVMGGG-JKSUJKDBSA-N 432.498 4.072 5 20 IIBD Cn1c(CC(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1ccccc1 728165001 GAYHIIYEJKHBFU-UHFFFAOYSA-N 425.876 4.029 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 729170001 INSMUXJFTOCOBN-OAHLLOKOSA-N 426.281 4.055 5 20 IIBD O=C(CCOc1ccccc1-c1ccccc1)O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 731510956 NANVFAHQXPIEAS-QHCPKHFHSA-N 446.459 4.379 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 734790693 XPSQTDSHCLLMLK-HKBQPEDESA-N 442.468 4.200 5 20 IIBD CC1CCN(c2ccc(C(=O)Oc3ccc(N4CCOC4=O)cc3)cc2[N+](=O)[O-])CC1 736003607 RCLLVLVVPCOGMR-UHFFFAOYSA-N 425.441 4.007 5 20 IIBD COc1ccc(CN(C)C(=O)[C@@H](OC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C(C)C)cc1 736867568 WXWWEAQCILRJOG-IBGZPJMESA-N 434.876 4.097 5 20 IIBD C[C@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 740480233 QJVAWHVIUAIXSP-PKOBYXMFSA-N 448.564 4.252 5 20 IIBD C[C@@H](CC(=O)c1ccccc1F)C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 745486253 IAQJMDKSIWQENJ-RYUDHWBXSA-N 436.823 4.167 5 20 IIBD CN(Cc1nccs1)C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 746360898 FFYBGRPSCGHXDU-UHFFFAOYSA-N 430.873 4.229 5 20 IIBD Cc1c(C(=O)N(C)Cc2cc(Br)ccc2F)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748620082 PBLWABFHJMWJTG-UHFFFAOYSA-N 440.225 4.294 5 20 IIBD O=C(NC[C@H]1CCOc2ccccc21)c1cc(Br)cc([N+](=O)[O-])c1Cl 750864006 CNXGNTJHIFXIRR-SNVBAGLBSA-N 425.666 4.307 5 20 IIBD COc1cc(C(=O)O[C@H](C)c2nnc(-c3cccc(C)c3)o2)c([N+](=O)[O-])cc1OC(F)F 753373667 LHRAVXUBEWJWTO-LLVKDONJSA-N 449.366 4.481 5 20 IIBD Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)o2)cc1C 758930226 BNLRNRGNBKBQLN-CYBMUJFWSA-N 426.385 4.396 5 20 IIBD C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 759846947 SNWWOIXOIVAEOK-NSHDSACASA-N 439.251 4.292 5 20 IIBD CC(C)NC(=O)c1ccc(NC[C@@H](O)c2cccc(OCc3ccccc3)c2)c([N+](=O)[O-])c1 760493939 VNNKYISINFFTSA-XMMPIXPASA-N 449.507 4.458 5 20 IIBD C[C@@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Br)cc2)no1 760828562 KDJUPTZJMAAVDY-CSXHZRMWSA-N 443.257 4.298 5 20 IIBD O=[N+]([O-])c1ccc(I)c(-c2nc(-c3ccc4cc[nH]c4c3)no2)c1 761765666 UUWNUEAEFMRWRS-UHFFFAOYSA-N 432.177 4.398 5 20 IIBD O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 767500193 MBISZOKEUHYANM-QGZVFWFLSA-N 444.413 4.284 5 20 IIBD CCCCCn1cc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c(C)n1 768027505 MTHZKSQKOMWHNE-UHFFFAOYSA-N 427.274 4.122 5 20 IIBD CCN(CC(=O)Nc1c(F)cccc1F)Cc1ccc(Br)c([N+](=O)[O-])c1 768162735 GXTIRXUGUXREJX-UHFFFAOYSA-N 428.233 4.096 5 20 IIBD O=C(OCc1ccccc1Oc1ccccc1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 769669884 VKILUAHTMVTXAZ-UHFFFAOYSA-N 446.415 4.398 5 20 IIBD CCCN(C(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(C)C 771156958 LTOKDIWGOPBWGO-UHFFFAOYSA-N 439.921 4.310 5 20 IIBD COc1c([N+](=O)[O-])cc(N[C@H](C)C[C@@H](O)c2ccccc2)c([N+](=O)[O-])c1Br 771929371 XVVDGNWIINZINN-QMTHXVAHSA-N 440.250 4.198 5 20 IIBD O=C(COC(=O)c1cnc(Cc2ccccc2F)s1)Nc1ccc(Cl)cc1[N+](=O)[O-] 772818914 MKQUYAFKRIOSKP-UHFFFAOYSA-N 449.847 4.230 5 20 IIBD O=C(O[C@H](C(F)F)[C@H]1CCCO1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 774434966 HPAWNFRZYNITHO-OCCSQVGLSA-N 436.198 4.057 5 20 IIBD C[C@@H](OC(=O)c1ccc(-c2cncnc2)cc1F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 775103777 XSEHRBNSWOPSPM-LLVKDONJSA-N 444.806 4.028 5 20 IIBD COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 775204947 VBKYZOSEKMKTFX-UHFFFAOYSA-N 435.285 4.118 5 20 IIBD COc1ccc(C)cc1-n1ccc(C(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])n1 776136807 XZGMKIGVLULXIO-HSZRJFAPSA-N 444.447 4.439 5 20 IIBD CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1 777830685 TXODTLSBUUZBQT-UHFFFAOYSA-N 437.456 4.058 5 20 IIBD Cc1cc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)ccc1-c1ccc(Br)cc1 778000032 GGMUMZSUYGEOGF-UHFFFAOYSA-N 442.269 4.133 5 20 IIBD C[C@@H](OC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C(=O)Nc1ccccc1-c1ccccc1 778899015 LXWUNJLXLRFOCH-CQSZACIVSA-N 434.404 4.175 5 20 IIBD Cc1cc(COC(=O)CSCc2nc(O)c3c4c(sc3n2)CCC4)ccc1[N+](=O)[O-] 781471456 VVWQHUVGNSXNHQ-UHFFFAOYSA-N 445.522 4.079 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cc1 781645099 DSRSDVURRIGXNL-GOSISDBHSA-N 426.429 4.074 5 20 IIBD CC(C)[C@@H]1C[C@H](CC(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 781790488 ONPHJXNRHBWWCA-AHIWAGSCSA-N 446.422 4.325 5 20 IIBD CCc1ccc(-c2noc([C@@H](C)NCCC(=O)Nc3cc([N+](=O)[O-])ccc3F)n2)cc1 782544769 QLZZELAYGFSSEU-CYBMUJFWSA-N 427.436 4.026 5 20 IIBD C[C@H](OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)no1 785675559 IOALXXOLBFTOIU-LBPRGKRZSA-N 439.815 4.402 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2cncn2)c(Cl)c1 786041785 ZDVKFKMGSSWMAR-UHFFFAOYSA-N 436.653 4.152 5 20 IIBD COc1cc(COC(=O)[C@@H]2COc3cc(C)c(C)cc32)c([N+](=O)[O-])cc1OCC(F)F 786962281 PQRCPEOTPBNGHL-OAHLLOKOSA-N 437.395 4.084 5 20 IIBD O=C(NCC1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1)OCc1ccccc1 787789432 ZLTDWVSRIIZFCX-UHFFFAOYSA-N 431.876 4.027 5 20 IIBD CCN(C(=O)c1cc(I)cc([N+](=O)[O-])c1)c1ccc2[nH]ccc2c1 788261389 JKFFFUCXQBWHMC-UHFFFAOYSA-N 435.221 4.347 5 20 IIBD COCN1C(=O)CCc2cc(NCc3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)ccc21 789565306 ZFLGDTZKCHDKSS-UHFFFAOYSA-N 437.452 4.359 5 20 IIBD CCC1=C(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCCO1 791546660 OYWTUMUREWYNMM-LBPRGKRZSA-N 431.470 4.063 5 20 IIBD COc1ccccc1-c1nc(C2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)no1 792597116 MSAWJRIWRKDQAQ-UHFFFAOYSA-N 442.859 4.327 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1cc(C2CC2)cnc1Cl)c1ccccc1[N+](=O)[O-] 792882352 QFXQAOGXQNHQFO-QGZVFWFLSA-N 431.876 4.333 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccnc(F)c2F)c2ccccc2)c([N+](=O)[O-])c1 795667243 IOESPDYYKJHOMC-SFHVURJKSA-N 427.363 4.113 5 20 IIBD COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)c2cc([N+](=O)[O-])c(F)cc2N)cc1 801874421 QAYRYFMHBBSNMD-UHFFFAOYSA-N 439.443 4.176 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@](c2nc(-c3cccc([N+](=O)[O-])c3)no2)(C(F)(F)F)C1 806653450 GKXDTCUWEODVGK-KRWDZBQOSA-N 428.367 4.086 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNc3ccc(C4(O)COC4)cc3)o2)c(Br)c1 808433351 RLAMZDDCQMNRNJ-UHFFFAOYSA-N 445.269 4.447 5 20 IIBD Cc1ccc2sc(C(=O)OCC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCCO4)cc2c1 811347077 JGOIOPSFMPDUJW-UHFFFAOYSA-N 442.449 4.075 5 20 IIBD CC(C)Cn1c(C2CCC2)nnc1N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 812230639 CNCVCRPHNOQYAC-UHFFFAOYSA-N 434.338 4.435 5 20 IIBD C[C@@H](c1ccc(F)cc1)N1CCC[C@H](OC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1=O 816400330 DIAFTRIVIRSAJV-DJJJIMSYSA-N 425.416 4.124 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Oc1cccc(C(C)(C)C)c1 892165592 WPUJKVWEVMDBBO-IBGZPJMESA-N 430.526 4.349 5 20 IIBD COc1ccc(OC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 914713659 CPINMRPKMAOORP-HNNXBMFYSA-N 439.251 4.120 5 20 IIBD COc1cc(CCNC(=O)Nc2ccccc2SC(F)F)c([N+](=O)[O-])cc1OC 915317671 BKOUFLKEJDWRHB-UHFFFAOYSA-N 427.429 4.291 5 20 IIBD O=C(NCCCN1c2ccccc2Sc2ccccc21)C(=O)Nc1cccc([N+](=O)[O-])c1 915784760 FUWQALRYSGJEQM-UHFFFAOYSA-N 448.504 4.343 5 20 IIBD Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cccc1-c1nnc2n1CCCCC2 917677827 YORUEGCGIJPHST-UHFFFAOYSA-N 434.500 4.206 5 20 IIBD CCCNC(=O)c1ccc(Cl)cc1NC(=O)c1cc(OC)c(OCC)cc1[N+](=O)[O-] 917740819 QJEKZGUUCGEQMV-UHFFFAOYSA-N 435.864 4.048 5 20 IIBD CN(C(=O)c1ccccc1NC(=O)CCOc1ccccc1[N+](=O)[O-])C1CCCCC1 917807744 XXJIRZIXBVGHPE-UHFFFAOYSA-N 425.485 4.407 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-c3nccs3)c2)cc1Br 918162339 WHSPFINOFBAFJI-UHFFFAOYSA-N 440.300 4.282 5 20 IIBD CC(C)(C)OC(=O)N[C@H](c1ccccc1)c1noc(COc2ccc([N+](=O)[O-])cc2)n1 1251843131 OVTUXKSRLALLEW-GOSISDBHSA-N 426.429 4.171 5 20 IIBD COC(=O)[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccccc1Cl 1254422413 IOKGYTYGWKROAE-AWEZNQCLSA-N 428.622 4.082 5 20 IIBD Cc1cccc(NC[C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)n1 1321972877 MZPFHFKLIISEAJ-AWEZNQCLSA-N 433.306 4.086 5 20 IIBD Cc1cccc(-c2nnc(-c3ccc(Cn4nnc(-c5ccccc5)n4)cc3)o2)c1[N+](=O)[O-] 1322025858 IYLZEAFQKFNBBV-UHFFFAOYSA-N 439.435 4.322 5 20 IIBD CS[C@H]1CC[C@@H](N(C)C(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)C1 1322113971 VRUSREDQDNKRPX-SJORKVTESA-N 441.553 4.248 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@H](Cc3nccn3C)C2)c([N+](=O)[O-])c1 1341242784 XEBIBKGYOGATIW-DVECYGJZSA-N 447.539 4.271 5 20 IIBD Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(C)c([N+](=O)[O-])cn4)cc3)CCC2)o1 1788765001 MJBRCMADEWCTPA-UHFFFAOYSA-N 434.452 4.261 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@H]4C4CC4)CCC3)cc2)ncc1[N+](=O)[O-] 1788765440 PRLYOPUOITYQGS-OALUTQOASA-N 434.496 4.092 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(O)cc([N+](=O)[O-])c4)CCC3)cc2)ccn1 1789751252 SHZKYKYQVKQPPX-UHFFFAOYSA-N 446.463 4.065 5 20 IIBD C/C=C(\C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(OC)cc3[N+](=O)[O-])cc2)CCC1 1790571623 DMBCTZJGOOILBV-AYSLTRBKSA-N 437.496 4.246 5 20 IIBD CCCCC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3nc[nH]c3[N+](=O)[O-])CCC2)cc1 1791313416 FBWIZHRFMOTSTF-OAHLLOKOSA-N 427.505 4.282 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])cc1F 1800336882 XOOSDMKTURKJDU-BTTYYORXSA-N 449.841 4.092 5 20 IIBD CC(C)C1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)CCC1 1823617033 XPVJTPDATOFGFH-GOSISDBHSA-N 431.533 4.247 5 20 IIBD CC(C)(C)CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830616196 KLOINXXCVWBQNN-IBGZPJMESA-N 433.524 4.403 5 20 IIBD COc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CC(C)(C)C)CC2)ccc1[N+](=O)[O-] 1832695846 KEPNVTBJOPFSJU-LJQANCHMSA-N 445.560 4.273 5 20 IIBD CC(C)(C)CCCCCC(=O)N1CC2(CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 1845919683 NKXOWZAGAYFMBK-UHFFFAOYSA-N 447.551 4.476 5 20 IIBD Cc1cc(C)n(-c2ccc(C(=O)O[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2)n1 8711320 AKEYKDRIYGSQAD-AWEZNQCLSA-N 442.859 4.235 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Sc2nnc(Nc3ccccc3F)s2)c([N+](=O)[O-])c1 15812388 MZKUJKPPZRNCMZ-SNVBAGLBSA-N 449.489 4.457 5 20 IIBD Cc1nc(COc2cccc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3C)c2)cs1 17737220 OZHYENSRGWNNCB-UHFFFAOYSA-N 441.465 4.043 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 19425807 IMBZLEXBYOTLOP-UHFFFAOYSA-N 449.847 4.391 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 21260295 IMWUUXYTIDEJOK-AWEZNQCLSA-N 442.859 4.235 5 20 IIBD COC(=O)C1(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)CCCCC1 25170882 XQELWEFIZIQWRK-UHFFFAOYSA-N 435.527 4.117 5 20 IIBD COc1ccc(CCn2c(C)cc(C(=O)Cn3c(=O)oc4ccc([N+](=O)[O-])cc43)c2C)cc1 32332015 REBFUCRSISNVBE-UHFFFAOYSA-N 449.463 4.055 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)cc1C 60443553 LLFKLMRHLWDOQH-MRXNPFEDSA-N 431.514 4.027 5 20 IIBD O=C(NCc1ccc(CN2CCCCCC2)cc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 63679486 IMYFWKGHWPLMSZ-UHFFFAOYSA-N 433.512 4.087 5 20 IIBD CCCN(CC(=O)Nc1ccccc1C)C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 64723804 DPIOKNVXMLRNII-OAHLLOKOSA-N 433.892 4.201 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F 71924792 SADPKGLZHKKHNN-UHFFFAOYSA-N 449.341 4.476 5 20 IIBD NC(=O)c1ccc(SCC(=O)N[C@H](c2ccc(Cl)cc2)C2CCCC2)c([N+](=O)[O-])c1 78508435 FMONLNKHZDFPQM-FQEVSTJZSA-N 447.944 4.487 5 20 IIBD O=C(N[C@@H](COc1ccccc1F)c1ccccc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 107964245 XDRPINYYEZLURK-QFIPXVFZSA-N 446.438 4.470 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N(C)Cc2ccccc2C(F)(F)F)ccc1[N+](=O)[O-] 110364789 DEEWJPQVJXYXGH-LJQANCHMSA-N 449.429 4.185 5 20 IIBD O=[N+]([O-])c1ccc2nc(N3CCN(c4nc5ccc([N+](=O)[O-])cc5s4)CC3)sc2c1 111193942 MVPZJWMBNJUQLZ-UHFFFAOYSA-N 442.482 4.049 5 20 IIBD COc1ccc(CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C2CCCCC2)cc1OC 195732994 GAEXIEQJTRTEGU-UHFFFAOYSA-N 427.501 4.046 5 20 IIBD CCc1cccc(NC(=O)CNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 216218315 XUOPVRGDGFDDBI-UHFFFAOYSA-N 441.431 4.023 5 20 IIBD COc1ccc(CN[C@@H](C)C(=O)Nc2ccccc2)cc1OCc1ccc([N+](=O)[O-])cc1 237256443 YRPKTUJQMXWTGR-KRWDZBQOSA-N 435.480 4.299 5 20 IIBD O=C(Nc1ccc(F)cc1)c1ccc(CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])cc1 301651922 KALXTTZYXIMGCU-UHFFFAOYSA-N 448.454 4.491 5 20 IIBD COc1cc(OCC(=O)N[C@@H](C)c2sc(-c3ccc(F)cc3)nc2C)ccc1[N+](=O)[O-] 303281608 UPSKAHGGCNZLIV-LBPRGKRZSA-N 445.472 4.431 5 20 IIBD Cc1c(C(=O)Nc2cc(F)ccc2SCC(F)F)nnn1-c1cccc([N+](=O)[O-])c1 303726725 CJGHKMDPJRKVJL-UHFFFAOYSA-N 437.403 4.233 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1C 409468181 FRQVQWWCPFRPCN-UHFFFAOYSA-N 444.513 4.196 5 20 IIBD C[C@@H]1CN(C(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)CC[C@H]1O 428687851 DZTKASZYCMWRKN-WMNHSHDPSA-N 437.521 4.365 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC(c2nc3ccccc3[nH]2)CC1 429942281 LOIGIFMMGYVZSV-UHFFFAOYSA-N 429.274 4.253 5 20 IIBD Cc1c(NC(=O)C(=O)N(C)Cc2cc3ccccc3o2)cc(Br)cc1[N+](=O)[O-] 430328804 HJZASSRUXQTLDT-UHFFFAOYSA-N 446.257 4.009 5 20 IIBD O=C(N[C@H](CO)CC(F)F)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 430532446 LKCXGDUHKZUGCP-NSHDSACASA-N 439.465 4.102 5 20 IIBD CC(C)(NC(=O)c1ccc(F)cc1I)c1ccc([N+](=O)[O-])cc1 430575586 VMGUDYLFCPCMRR-UHFFFAOYSA-N 428.201 4.004 5 20 IIBD CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c(C)c1 431440353 HGCXXIQVWOTYHR-LBPRGKRZSA-N 434.290 4.446 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3ccccc3CSC)CC2)ccc1[N+](=O)[O-] 432416375 GMSXIEDOSPPDGX-UHFFFAOYSA-N 430.530 4.211 5 20 IIBD COc1cc(CCNC(=O)N(C)[C@H](c2ccc(F)cc2)C(C)C)c([N+](=O)[O-])cc1OC 433980267 VJLMPBWMCYMKSH-NRFANRHFSA-N 433.480 4.332 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N1CC(O)(C2CC2)C1 434278566 VHEPDZQPRAPVHV-LFIBNONCSA-N 435.505 4.119 5 20 IIBD C[C@H](Nc1cnn(-c2ccccc2F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 435920741 BDAWLEAMSZAPGP-NSHDSACASA-N 437.353 4.378 5 20 IIBD CCOC(=O)CN(Cc1ccc(F)cc1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 436242551 VNJFMHNHMMMSJG-UHFFFAOYSA-N 432.451 4.026 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N2CCc3ncsc3C2)cc1[N+](=O)[O-] 438688174 PLSODIFZLREHNC-UHFFFAOYSA-N 439.518 4.203 5 20 IIBD CC(=O)c1ccc(OCC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)c([N+](=O)[O-])c1 440869287 ITWVQJQYHMLRMR-KRWDZBQOSA-N 439.449 4.209 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@@H](Oc2ccccc2Cl)C1 443661875 VAHMNVPCTQOGGL-MRXNPFEDSA-N 431.876 4.090 5 20 IIBD Cc1cnn(CC2CCN(C(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)CC2)c1 444095476 HAHHMTGUGIGYNB-UHFFFAOYSA-N 436.462 4.017 5 20 IIBD CC(C)OC(=O)C[C@H]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 444319673 CZRGHRJEOWYODH-CQSZACIVSA-N 442.462 4.153 5 20 IIBD O=C(NCCc1cccc(OCc2ccccc2)c1)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 445219877 GQSRENGGKIVIGD-UHFFFAOYSA-N 445.479 4.092 5 20 IIBD CCCNC(=O)c1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1Cl 446109351 RGFATGJTYGWVSF-UHFFFAOYSA-N 446.710 4.464 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 446482736 WBPQPGAWCMWKGP-UHFFFAOYSA-N 437.525 4.376 5 20 IIBD CCOc1ccc2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)sc2c1 446965749 LCQCFYDLQNESBZ-UHFFFAOYSA-N 447.416 4.423 5 20 IIBD O=[N+]([O-])c1ccc2nc(N3CCCN(Cc4sccc4Br)CC3)[nH]c2c1 460354723 JHPZQJASMYJEHJ-UHFFFAOYSA-N 436.335 4.007 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1 460469179 GNLKBOOYNKGFES-UHFFFAOYSA-N 447.369 4.496 5 20 IIBD Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 461403981 FHEVLLMAYFJRKP-UHFFFAOYSA-N 443.456 4.113 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCOCC2)c2ccncc12 462417485 DJZQINKJWOBASZ-GOSISDBHSA-N 434.496 4.187 5 20 IIBD O=[N+]([O-])c1cc2c(c(C[S@](=O)Cc3cc(Br)ccc3Cl)c1)OCOC2 462995066 VHLNQYNZMZGKFK-RUZDIDTESA-N 446.706 4.326 5 20 IIBD COc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)cc1[N+](=O)[O-] 466620202 SVTMMIVSQUTELW-UHFFFAOYSA-N 438.465 4.172 5 20 IIBD Cc1sc(S(=O)(=O)N(Cc2csc(Br)c2)C2CC2)cc1[N+](=O)[O-] 467045267 LFJFUDPHMMSAQU-UHFFFAOYSA-N 437.362 4.142 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)Cc2nc(O)c3sccc3n2)cc1OC 467478191 NNIWBQYWQGKJNV-ZDUSSCGKSA-N 446.529 4.371 5 20 IIBD COc1cc(C(=O)N(C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])c1OC 469527404 OHYWTQUABJMUND-LLVKDONJSA-N 443.283 4.458 5 20 IIBD O=C(Nc1nnc(-c2ccc(Cl)cc2F)s1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 470617657 IIJUTSAUQPZVQU-UHFFFAOYSA-N 444.835 4.344 5 20 IIBD C[C@@H]1OCC[C@@]12CN(C(=O)c1ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c1)CCO2 470665240 BKCYRJQQKMYSET-LHSJRXKWSA-N 448.928 4.419 5 20 IIBD O=C(c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2)N1CC[C@@H](O)C1 472375200 QUGAVVNXXAAOAO-XEYRCQSKSA-N 429.476 4.227 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc(=O)n(Cc2csc(C(C)C)n2)c1 472538536 KFESFWIZAAGPSQ-UHFFFAOYSA-N 426.498 4.254 5 20 IIBD C[C@H]1CCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@@H]1c1ccc(C(F)(F)F)cc1 472615614 ZMXMAJYKCBAMJC-GTNSWQLSSA-N 439.365 4.301 5 20 IIBD Cc1cc(Br)c(F)cc1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 473855821 CCFGEVOOQGXBAV-UHFFFAOYSA-N 437.269 4.159 5 20 IIBD Cn1nc([N+](=O)[O-])cc1C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F 477022336 DWJWNKUYOJMUDD-UHFFFAOYSA-N 428.314 4.254 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3ccccc3CSCC)CC2)ccc1[N+](=O)[O-] 477380311 REDXKTYBGUMJCE-UHFFFAOYSA-N 429.542 4.209 5 20 IIBD Cn1nc([N+](=O)[O-])cc1C(=O)N(Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1 481533932 FFJGPSGXCQTVSP-UHFFFAOYSA-N 434.374 4.412 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 482381381 IMCYKKXANPXEFO-OAHLLOKOSA-N 433.333 4.342 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2c(F)ccc(C)c2Br)cc([N+](=O)[O-])c1 484691099 QXQCXCXYDXFMTR-UHFFFAOYSA-N 425.210 4.234 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@]2(CCCOC2)O1 484874015 WDTXBOGPCXVKSP-QRQCRPRQSA-N 446.887 4.451 5 20 IIBD COC(=O)c1c(CC(C)C)csc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 485340857 BDYRQGIJJZIDQA-UHFFFAOYSA-N 428.470 4.079 5 20 IIBD COC(=O)c1cc(-c2nc(-c3ccc(-n4cc(Cl)cn4)c(F)c3)no2)cc([N+](=O)[O-])c1 485955723 IQYYZECJCKPQHE-UHFFFAOYSA-N 443.778 4.077 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCC[C@@H](Oc2ncccc2F)C1 486001652 HBLGGARPIVOASU-SNVBAGLBSA-N 436.312 4.226 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 487756564 IREYRGGBDWTNID-ZDUSSCGKSA-N 425.391 4.297 5 20 IIBD Cc1cc(C(=O)NC(C)C)ccc1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 488344825 GLHKBHNYWQIRSS-UHFFFAOYSA-N 438.406 4.382 5 20 IIBD COc1cccc(Oc2ccc(NC(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)cc2)c1 488366974 MYDJQTBWXPVWGA-UHFFFAOYSA-N 437.456 4.461 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)c([N+](=O)[O-])c1 490892689 HSXVKOIESVLCHQ-KBPBESRZSA-N 449.891 4.111 5 20 IIBD COCCN(Cc1ccc(Br)s1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] 494284146 CGXHZHXFEMJNTO-UHFFFAOYSA-N 433.299 4.215 5 20 IIBD COc1ccc(NC(=O)CSc2ccccc2[N+](=O)[O-])cc1Oc1ccc(C)nn1 498774755 KJINPPHXBDYLNX-UHFFFAOYSA-N 426.454 4.225 5 20 IIBD O=C(Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 499357717 PFHYZDWLAVVQAE-UHFFFAOYSA-N 435.827 4.245 5 20 IIBD Cc1ccc(-c2csc(NC(=O)C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)n2)s1 500250780 BLDAKMDYIUEYNZ-UHFFFAOYSA-N 442.522 4.218 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 501778469 UVQNOECZCVPEIC-QFIPXVFZSA-N 442.462 4.472 5 20 IIBD Cc1ccccc1C1(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CCCCC1 503178008 NUIGRGDLDNIAJK-UHFFFAOYSA-N 441.553 4.151 5 20 IIBD CS(=O)(=O)c1cc(C(=O)Nc2ccc(Oc3ccncc3)c(Cl)c2)cc([N+](=O)[O-])c1 504843231 OWJQJFGEPMCJTM-UHFFFAOYSA-N 447.856 4.091 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1c(C)nn(C)c1C 505099095 PYHKQDQKBDCJRX-UHFFFAOYSA-N 428.470 4.103 5 20 IIBD COc1ccc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1Br 506996414 DLTHSTDSPQPFJV-JTQLQIEISA-N 443.681 4.103 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(=O)NC1CC(C(F)(F)F)C1 510742148 XHOPFFUMTFYXKP-UHFFFAOYSA-N 445.444 4.203 5 20 IIBD O=C(NCCc1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1I 510791176 SOENBNJQLIVFOT-UHFFFAOYSA-N 446.244 4.325 5 20 IIBD Cn1ccnc1[C@H](NCc1ccc(NC(=O)c2ccco2)cc1)c1ccc([N+](=O)[O-])cc1 513707743 IGVFLFANEWSQGB-OAQYLSRUSA-N 431.452 4.053 5 20 IIBD COc1ccc(OC)c(CN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C(C)(C)C)c1 515217608 AUGGITSOHBMKBG-UHFFFAOYSA-N 432.473 4.070 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 517500321 OGBRCAXYGOTBAW-NRFANRHFSA-N 436.537 4.255 5 20 IIBD C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 517678892 FXVQYASLGSOSSF-HNNXBMFYSA-N 449.349 4.192 5 20 IIBD CC[C@@H](C)[C@H](NC(=O)c1ccccc1[N+](=O)[O-])C(=O)N1CCC(Cc2ccccc2)CC1 518115455 DKXWBVTVNJKHMU-JPYJTQIMSA-N 437.540 4.221 5 20 IIBD Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)n2)s1 520324571 DBLQHSFHNIIUEL-LBPRGKRZSA-N 448.551 4.393 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C3CC3)[C@@H](C)C3CC3)cc2)cc1[N+](=O)[O-] 520713884 PSJRMDXLRVKJKL-HNNXBMFYSA-N 443.525 4.107 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)Nc1cccc(C[S@@](=O)c2ccccc2)c1 522451653 YONRIYRUBPWXKS-WJOKGBTCSA-N 439.493 4.103 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)cc([N+](=O)[O-])c1 522542172 RHCQDJVTWLIKIG-GOSISDBHSA-N 434.901 4.355 5 20 IIBD COc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1NC(=O)C1CCCCC1 523838093 VCDIFWVSSHMFNZ-UHFFFAOYSA-N 447.513 4.231 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCc2cccc(N3CC=CC3)c2)cc1[N+](=O)[O-])c1ccccn1 524825115 YQSBOJUOIMBNES-GOSISDBHSA-N 443.507 4.469 5 20 IIBD COc1ccc(CNC2CCN(Cc3ccc(Br)cc3)CC2)cc1[N+](=O)[O-] 532393872 JBVFLVLPBRRVRZ-UHFFFAOYSA-N 434.334 4.120 5 20 IIBD CS[C@@H](CO)[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 536411590 AAIPHHCCRQRFRU-GTNSWQLSSA-N 426.947 4.242 5 20 IIBD C[C@H](NC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl)c1ccccc1[N+](=O)[O-] 537044361 GTTORZPSMPTYRS-JTQLQIEISA-N 431.802 4.134 5 20 IIBD CN(Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O 537631350 SNUUEANVSIANGH-NQIIRXRSSA-N 436.505 4.314 5 20 IIBD O=C(CCCNC(=O)c1ccc(F)cc1F)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 541069249 VOZNWSVWQPBXAT-UHFFFAOYSA-N 431.317 4.041 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2nnnc2C(C)C)c(C)c1 541343131 HATUOOUZTFQLOM-UHFFFAOYSA-N 426.502 4.367 5 20 IIBD C[C@@H](NC(=O)N1CCCC[C@H]1CNC(=O)Nc1ccccc1)c1cccc([N+](=O)[O-])c1 542088619 FITAJQVDFPPABS-UZLBHIALSA-N 425.489 4.042 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)NCc1ccc(Oc2ccccc2F)c(F)c1 544715043 VOMJCEKGPXGFDK-UHFFFAOYSA-N 434.420 4.285 5 20 IIBD CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C 545133457 UBRBQJXNZUUSGW-KBPBESRZSA-N 440.525 4.475 5 20 IIBD COc1cc(OC)c(-c2noc(-c3csc(-c4cccc([N+](=O)[O-])c4)n3)n2)cc1OC 546246709 DATPGCWLSVMJBU-UHFFFAOYSA-N 440.437 4.461 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1noc(CCc2nnc(-c3cc4ccccc4o3)o2)n1 546377035 SAOLPABFXBDNCS-UHFFFAOYSA-N 446.423 4.214 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCO[C@@H](c2ccc(F)cc2F)C1 548314336 BNOJRZWYZZJMQX-GOSISDBHSA-N 431.420 4.210 5 20 IIBD O=C(c1ccc(C(=O)N2CCc3cc(F)ccc32)c([N+](=O)[O-])c1)N1CCc2cc(F)ccc21 548935207 GCFMSDYUQAZPDK-UHFFFAOYSA-N 449.413 4.279 5 20 IIBD COCC[C@@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 551575514 JFBIFSRKLRJMEC-QGZVFWFLSA-N 447.340 4.141 5 20 IIBD CCOc1cc(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)c([N+](=O)[O-])cc1OCC 557564131 ORNUJEYGPVWPCO-UHFFFAOYSA-N 436.468 4.319 5 20 IIBD O=[N+]([O-])c1cc2c(NCc3ccccc3NS(=O)(=O)c3ccccc3)ncnc2s1 557564839 HZRKLXLWHWKGIF-UHFFFAOYSA-N 441.494 4.012 5 20 IIBD Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCOc3ccc([N+](=O)[O-])cc3C2)o1 572651679 MGPCZIRJMIKUQB-UHFFFAOYSA-N 433.424 4.003 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 574088365 XKQWRHZGBIHNFC-PMACEKPBSA-N 432.908 4.004 5 20 IIBD CSc1cccc(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)c1[N+](=O)[O-] 580227312 ARUPIYOUMQGOIB-NSHDSACASA-N 428.436 4.089 5 20 IIBD COc1ccc(COc2ccc(-c3noc(-c4cccc([N+](=O)[O-])c4OC)n3)cn2)cc1 584745026 AOAGAQZREPEANK-UHFFFAOYSA-N 434.408 4.303 5 20 IIBD Cc1ccn2cc(-c3ccc(NC(=O)c4cc5c(cc4[N+](=O)[O-])OCCO5)cc3)nc2c1 589275137 ZIXMUGLESZEVEE-UHFFFAOYSA-N 430.420 4.241 5 20 IIBD COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1OCc1cn2ccccc2n1 603831908 ONVZSFLBJQQBAG-UHFFFAOYSA-N 448.435 4.091 5 20 IIBD O=C(NCc1ccc(OCc2cccc(F)c2)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 603866477 QXENAFWKSVLIOA-UHFFFAOYSA-N 446.438 4.429 5 20 IIBD CN(C(=O)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1)c1ccccc1 603982743 DDFHPBBPUNTPCZ-UHFFFAOYSA-N 445.884 4.326 5 20 IIBD COc1cc(CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)ccc1OCC(F)(F)F 604076704 JIGGVZKIIORCFJ-GFCCVEGCSA-N 427.379 4.105 5 20 IIBD CCOc1cc(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])cc1OC 604195444 HBRAHDCIYGHUEC-UHFFFAOYSA-N 446.887 4.391 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1nc(C2CC2)c(Cc2ccccc2Cl)s1 608850441 UTGBZRIGQSBIHN-UHFFFAOYSA-N 431.905 4.317 5 20 IIBD CC(C)c1noc(-c2ccc(NC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)cc2)n1 609061396 QAQLWMZZKNIGDS-UHFFFAOYSA-N 432.440 4.421 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC(c2ccc(F)c(F)c2)CC1 609183561 ZAOGJVMDGBIJDA-UHFFFAOYSA-N 429.467 4.496 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1O[C@H](C)c1ccccc1 609667027 ZCSWGHYNUUILPH-DLBZAZTESA-N 433.464 4.492 5 20 IIBD Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 609908500 FFIDWOMRHMAEKU-HXUWFJFHSA-N 437.521 4.185 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1 612133403 ZBPFFYBLSDNGQQ-IOMROCGXSA-N 425.554 4.347 5 20 IIBD Cc1sc(S(=O)(=O)N(C)CCCc2cc(-c3ccc(F)cc3)no2)cc1[N+](=O)[O-] 613473578 GJROPSIICADJPB-UHFFFAOYSA-N 439.490 4.012 5 20 IIBD COC(=O)c1csc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1C 614864379 JLDUSDKXFRTYFE-UHFFFAOYSA-N 428.416 4.368 5 20 IIBD CCOC(=O)C[C@@H](c1ccccc1)C1CCN(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 618285861 YNXMUTSQUOROCF-FQEVSTJZSA-N 436.512 4.420 5 20 IIBD CCOc1cc(NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c([N+](=O)[O-])cc1OCC 619212812 XFYJDELWHBCBQV-NSHDSACASA-N 431.470 4.077 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(OCc2cccc(F)c2)cc1C 619467668 VPDWGLQLBCFDQT-UHFFFAOYSA-N 446.456 4.431 5 20 IIBD C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 619578196 CTUVAZSBEQVJMX-JXIYXGQPSA-N 439.350 4.078 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCO[C@H](c3ccccc3F)C2)CC1 727395223 KGUHPZLZNMWAEH-QFIPXVFZSA-N 427.476 4.184 5 20 IIBD COc1cccc(C2(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CCCC2)c1 731263188 YAFOBUOBSCKJFC-UHFFFAOYSA-N 432.860 4.251 5 20 IIBD CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 731902654 VIESYYRKANUDBU-CYBMUJFWSA-N 444.326 4.027 5 20 IIBD C[C@H](NC(C)(C)CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])c1ccccc1 732034637 YOSGEKVPBNCMCD-ZDUSSCGKSA-N 427.473 4.132 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O[C@@H]1CCN(c2ccccc2Cl)C1=O 732332817 RGPGBCWTSXJTOS-APPDUMDISA-N 439.251 4.018 5 20 IIBD C[C@@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)Oc1ccc(Br)cc1 742425450 LIWHLWUUCNRXMN-LBPRGKRZSA-N 436.262 4.193 5 20 IIBD COc1cc(CNc2ccc3c(c2)N(C)C(=O)CO3)ccc1OCc1ccc([N+](=O)[O-])cc1 743501222 GCRKCAAVROBIFD-UHFFFAOYSA-N 449.463 4.150 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1[N+](=O)[O-] 743805770 QBTVDGYZNVFDAL-JTQLQIEISA-N 431.792 4.006 5 20 IIBD O=C(NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 744075883 TXDYHOFIBBKATQ-VXGBXAGGSA-N 449.699 4.164 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C 744395305 QTJCEMGXOXQQDP-WOJBJXKFSA-N 446.548 4.096 5 20 IIBD CCCN(Cc1ccccc1F)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 746181952 DLMMYYLVMCZGGV-UHFFFAOYSA-N 431.283 4.097 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NCc2ccnc(Oc3ccc(F)cc3)c2)c1[N+](=O)[O-] 749442254 MEFUMRTYHHTZPH-UHFFFAOYSA-N 428.376 4.242 5 20 IIBD C[C@H](OC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 750504934 UIOZYKXLKCVFGW-LIRRHRJNSA-N 440.431 4.053 5 20 IIBD COc1ccc2nc(Cl)ccc2c1S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 751266798 JKGRDODFWCACED-UHFFFAOYSA-N 428.253 4.259 5 20 IIBD C[C@@H](OC(=O)c1cnc(OCC2CC2)c(Cl)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 751816780 XVUJUTOQCGNANF-LLVKDONJSA-N 444.831 4.400 5 20 IIBD Cc1c([N+](=O)[O-])cnc(NC2CCN(c3ccc(N(C)C)cc3)CC2)c1Br 754044014 XZVHBRQELFANFT-UHFFFAOYSA-N 434.338 4.208 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)OCC(=O)N[C@H](c1ccc(C)cc1)c1cccs1 755675258 RGPVRMMSDHXWOD-OAQYLSRUSA-N 440.477 4.036 5 20 IIBD CC(=O)c1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1cc(Br)sc1Cl 758404810 LQUKHJXPDCALDI-UHFFFAOYSA-N 440.680 4.043 5 20 IIBD Cc1cc(F)cc(C(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)c1[N+](=O)[O-] 758422483 BZGOTGNYKNRSSE-UHFFFAOYSA-N 425.391 4.364 5 20 IIBD O=C(COC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H](c1ccccc1)c1cccs1 758737506 RPJDPUYRHKXZJJ-QHCPKHFHSA-N 449.488 4.129 5 20 IIBD COc1ccc([C@@H](OC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H](C)n2cccn2)cc1 759314514 WVQQYIGMGAKRIR-WNSKOXEYSA-N 434.452 4.369 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)Nc1cc2ccccc2nc1Br 760171041 XQLYKPKSKMEGHL-UHFFFAOYSA-N 431.246 4.106 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N(Cc1cccnc1)Cc1ccco1 760266446 XHOKWDRDXIDINL-UHFFFAOYSA-N 441.387 4.083 5 20 IIBD COc1cc(Cc2noc([C@@H]3CCN(c4ccc(C(C)C)cc4)C3=O)n2)ccc1[N+](=O)[O-] 762309651 RPXKQFAHAJFZLY-SFHVURJKSA-N 436.468 4.221 5 20 IIBD NC(=O)Nc1ccc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cc1 763798453 ZOEBGEIUWOZTJD-UHFFFAOYSA-N 443.481 4.160 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1[N+](=O)[O-] 765275783 XOALQCDNJDWMOE-KSFYIVLOSA-N 432.521 4.007 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 765722762 FPBWRDJRMIVPDX-JPYJTQIMSA-N 431.533 4.023 5 20 IIBD C[C@@H](OC(=O)c1c([N+](=O)[O-])cnn1C)c1nc2cc(Cl)ccc2n1Cc1ccccc1 766967758 TZSWRZDNVHQJHB-CYBMUJFWSA-N 439.859 4.298 5 20 IIBD Cc1cccc(N2C(=O)/C(=C\c3ccc(Br)cc3[N+](=O)[O-])NC2=S)c1C 767718264 SLEOQSLYESDXEY-RIYZIHGNSA-N 432.299 4.236 5 20 IIBD CCCN(CC(=O)Nc1ccccc1OC)Cc1ccc(Br)c([N+](=O)[O-])c1 768168557 JUXFOVYYZCFZIF-UHFFFAOYSA-N 436.306 4.217 5 20 IIBD CCCOc1ccc(Oc2ncccc2CNS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 768807639 NVNBFFRSWLTDNX-UHFFFAOYSA-N 449.510 4.111 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN3CCCC[C@@H]3C3OCCO3)o2)c(Br)c1 769297871 MCTZWMBIUNTFCT-QGZVFWFLSA-N 437.290 4.345 5 20 IIBD C[C@@H](OC(=O)c1ccc2nc(C(F)(F)F)cn2c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 770422856 KYDCXUCUSRHIGH-SNVBAGLBSA-N 447.329 4.229 5 20 IIBD O=C(Oc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 771481523 PFVXGPWOKNFZCW-MRXNPFEDSA-N 427.215 4.251 5 20 IIBD Cc1nn(C)c(C)c1[C@H](C)C(=O)O[C@H](c1ccc(Br)cc1)C(C)(C)[N+](=O)[O-] 774373192 LPLKQEUDGABWSK-APPDUMDISA-N 438.322 4.243 5 20 IIBD Cc1ccccc1-n1c(SC[C@@H](O)c2ccc([N+](=O)[O-])cc2)nnc1-c1ccncc1 776271174 IMVFFZQIZQDMEY-HXUWFJFHSA-N 433.493 4.372 5 20 IIBD C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 776502258 HEQUNYJRKYDZJV-UONOGXRCSA-N 446.529 4.188 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N(Cc1ccccc1)C[C@@H](O)c1ccco1 779386351 VAQAHXVOBCBWSQ-HXUWFJFHSA-N 443.887 4.329 5 20 IIBD O=C(N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 781199548 ADIZYMLCOSGTHV-ZDUSSCGKSA-N 435.261 4.138 5 20 IIBD CCCCC[C@H](C)NC(=O)COC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781256994 IQFJKBIDPPTBPW-ZDUSSCGKSA-N 430.451 4.201 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@@H](c2nc(-c3ccc(OCc4cccnc4)cc3)no2)C1 781609830 FNCAXUPWLCOGNC-OAQYLSRUSA-N 443.419 4.485 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCc1cccc(OCc2ccccc2)c1 781680633 RPRNGZMBKZJWMU-UHFFFAOYSA-N 435.436 4.331 5 20 IIBD C[C@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(OCC2CC2)c(F)c1 781701275 QTKMPPPPIJZZOD-ZDUSSCGKSA-N 431.420 4.241 5 20 IIBD Cc1ccc(CNC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OCC(F)(F)F)c1 781706560 UCLYTLWSNUZNEZ-UHFFFAOYSA-N 441.362 4.002 5 20 IIBD CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc([N+](=O)[O-])s2)NC(=O)N1CC1CC1 782248207 NXHCTEKEVKHSGJ-LJQANCHMSA-N 426.498 4.354 5 20 IIBD O=C1C[C@H](c2ccccc2F)CN1CN(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 783971793 BYHYQJVLLXYTHI-HNNXBMFYSA-N 425.382 4.072 5 20 IIBD CCOC(=O)Nc1ccc2c(COc3ccc([N+](=O)[O-])c(OCC)c3)cc(=O)oc2c1 790290917 PERQGPXZOFLIMY-UHFFFAOYSA-N 428.397 4.247 5 20 IIBD Cc1c(Cl)cccc1N1CCCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)CC1 791094274 GJTQPUHFNPUPRN-UHFFFAOYSA-N 432.864 4.126 5 20 IIBD COc1cccc([C@H](C)CC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c1 791173698 FFQZZSWUOYQRRS-CYBMUJFWSA-N 433.302 4.444 5 20 IIBD Cc1c(C(=O)N2CCc3ccc(Br)cc3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 791233651 HJFUVNIGTGCOKU-UHFFFAOYSA-N 434.246 4.081 5 20 IIBD COc1ccc(C2(C(=O)N3CCc4c(Br)ccc([N+](=O)[O-])c4C3)CCC2)cc1 791243875 GLZBVMHIGHDHFU-UHFFFAOYSA-N 445.313 4.373 5 20 IIBD O=C(c1c[nH]c2c(Cl)cc(Br)cc2c1=O)N1CCc2ccc([N+](=O)[O-])cc21 791313009 YCWUXSARXHBKNC-UHFFFAOYSA-N 448.660 4.055 5 20 IIBD O=C(CCc1ncc(-c2ccc(F)cc2F)o1)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 791668642 BWKKJBZFEWPADA-UHFFFAOYSA-N 433.323 4.112 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1ccc(F)nc1F 791731330 NJRZORDXWPDHKN-UHFFFAOYSA-N 435.390 4.302 5 20 IIBD C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 794805468 WUNJLYIWSTVLGG-KPZWWZAWSA-N 425.363 4.484 5 20 IIBD O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)Nc2c(F)cc(Br)cc2F)c1 795332184 JMDQIFSUNHNKDG-UHFFFAOYSA-N 445.600 4.229 5 20 IIBD Cc1cc(C(=O)COC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c(C)n1Cc1ccc(F)cc1 796252114 ABCALJLHDRYNOS-UHFFFAOYSA-N 442.447 4.087 5 20 IIBD COC(=O)/C=C/c1ccc(OC)c(OC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 797156678 GCVYJMPLKCQQFM-VQHVLOKHSA-N 440.433 4.132 5 20 IIBD O=C(c1ccc(I)c([N+](=O)[O-])c1)N1CCCCc2sccc21 798216041 BERXFTRFHWSKBR-UHFFFAOYSA-N 428.251 4.244 5 20 IIBD COc1ccccc1CONC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 799094330 YDWFPAJQQVRMIF-UHFFFAOYSA-N 431.495 4.381 5 20 IIBD CC1(C)C[C@@H](OC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c2ccccc2O1 799434321 NODMVBOFXDKRPO-GOEBONIOSA-N 430.482 4.107 5 20 IIBD O=C(OCCCc1cscn1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 799657764 DZRVAVSRNNKZDR-UHFFFAOYSA-N 427.269 4.333 5 20 IIBD O=[N+]([O-])c1cnc(N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)s1 799930312 POPFKJQGBDBQHB-UHFFFAOYSA-N 431.499 4.010 5 20 IIBD COc1ccncc1COC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 805331208 HQJPWVDCBGREBU-UHFFFAOYSA-N 438.461 4.308 5 20 IIBD CCOC1CC(C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 805644172 WNRUPGVNKIURDV-KJXMEXGPSA-N 432.860 4.286 5 20 IIBD COc1ccc(C(=O)O[C@H](C)c2ccc(S[C@@H]3CCCCNC3=O)cc2)cc1[N+](=O)[O-] 809051963 XBPTYPIJPDGJTB-JLTOFOAXSA-N 444.509 4.282 5 20 IIBD CC(C)(NC(=O)C(F)(F)F)c1nc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)no1 809362398 BFTAHBQCVMHWGP-UHFFFAOYSA-N 436.346 4.351 5 20 IIBD CCOc1ccc([C@H](O)C2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)cc1 812866264 NBDIHXVJIXWNGG-DEOSSOPVSA-N 441.528 4.076 5 20 IIBD O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813117706 YGJTWZHWVHUUHN-AWEZNQCLSA-N 446.649 4.229 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)C1 816122745 HOABAHHQDGWFRY-IBGZPJMESA-N 443.422 4.087 5 20 IIBD CCOc1ccc([C@@H](O)C2CCN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])CC2)cc1 816780592 HXFSCXLRXUVTAS-JOCHJYFZSA-N 426.513 4.243 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCN(C/C=C\c2ccccc2)CC1 857578819 QXQUWYDARFHORQ-YFHOEESVSA-N 434.540 4.056 5 20 IIBD O=C(Nc1ncc(Cc2cccc(F)c2)s1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 915324675 USCYXERUZBVZMZ-UHFFFAOYSA-N 441.488 4.135 5 20 IIBD Cc1ccc(C(=O)N(C)C)cc1OC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 916066678 DEDFOMLYBPAZQZ-UHFFFAOYSA-N 439.390 4.031 5 20 IIBD O=C(NS(=O)(=O)Cc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 916794331 WFOQWPLAJFHEJB-UHFFFAOYSA-N 446.481 4.145 5 20 IIBD O=[N+]([O-])c1ccccc1OCCSc1nnc(-c2ccncc2)n1Cc1ccccc1 917176889 GCJFGPNHVKBCAQ-UHFFFAOYSA-N 433.493 4.468 5 20 IIBD Cc1c(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cccc1[N+](=O)[O-] 918635189 CDVSMWUMUMEQFV-KRWDZBQOSA-N 441.440 4.053 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)C2(C(=O)OCc3cc(F)ccc3[N+](=O)[O-])CCCC2)c1 918925751 VCECYIXAPGOBKO-UHFFFAOYSA-N 435.473 4.181 5 20 IIBD O=C(OCc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 919090462 UVPXAWXYRGMANY-KRWDZBQOSA-N 441.242 4.389 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)OCC(=O)N(c2ccccc2)C2CCCCC2)cc1[N+](=O)[O-] 919225390 ZEWARSUFZVZCDF-UHFFFAOYSA-N 441.440 4.334 5 20 IIBD CCOc1ccc(C2(CNc3ccc([N+](=O)[O-])cc3C(=O)NC3CC3)CCOCC2)cc1 919964688 CBPXLJMFRURJGC-UHFFFAOYSA-N 439.512 4.046 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CC[C@@H]4CCCC[C@@H]4C3)n2C[C@H]2CCCCO2)c1 1116960575 WTIDPNUJISULNQ-FBBABVLZSA-N 425.533 4.439 5 20 IIBD CC(C)(C)N1CCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 1317960812 MDQOSRXVYMQNNN-FQEVSTJZSA-N 430.936 4.344 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCCCN1C(=O)c1ccccc1 1320367790 UWHQHWWSWADFBM-GOSISDBHSA-N 447.285 4.095 5 20 IIBD COc1ccc(OCCOC(=O)CSc2ccc(Br)cc2)c([N+](=O)[O-])c1 1322174383 IWTMFJPQWJJUKP-UHFFFAOYSA-N 442.287 4.080 5 20 IIBD CC(C)(C)c1cc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)n(Cc2ccccc2)n1 1322874233 HNTUROKYTUOFBZ-UHFFFAOYSA-N 432.484 4.126 5 20 IIBD CC(C)(C)OC(=O)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccccc1 1349802780 JAFRYHQFUPWIHA-INIZCTEOSA-N 435.274 4.170 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)NC1(c2ccc(NC(=O)c3ccccn3)cc2)CCC1 1787296021 DSKVHHQOOYERFS-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD O=C(CC1CCC1)NC1(c2ccc(NC(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2)CCC1 1790827640 OTJGZHSDMCMQKE-UHFFFAOYSA-N 447.495 4.409 5 20 IIBD Cc1ccc(F)cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(F)ccc([N+](=O)[O-])c1C)C2 1792718876 QSVZBYYKFJMMTP-BJWYYQGGSA-N 443.450 4.055 5 20 IIBD COc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3CCCC3)CC2)ccc1[N+](=O)[O-] 1832696053 NOKFJBMPKRGCNF-HXUWFJFHSA-N 443.544 4.027 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC2(CCCN2C(=O)c2ccc(F)s2)C1 1842128264 LDSDPAMIJDYFAQ-UHFFFAOYSA-N 445.497 4.141 5 20 IIBD Cc1nc(CSc2ccccc2C(=O)OCc2ccc(C(N)=O)cc2[N+](=O)[O-])cs1 10574372 YVKXOTZIUGWPEU-UHFFFAOYSA-N 443.506 4.108 5 20 IIBD CC(C)[C@H](NC(=O)COC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 10723479 BPBPOHVETAPQNN-SANMLTNESA-N 442.515 4.211 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)CCn2nc(C)cc2C)c2ccccc2)c([N+](=O)[O-])c1 11562850 CXTOVFFVBSLWJB-QFIPXVFZSA-N 436.468 4.030 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1Cl 16496582 AQLFQQXQSSBUDN-UHFFFAOYSA-N 432.742 4.017 5 20 IIBD Cc1csc(SCc2ccc(C(=O)NCCNc3ccc([N+](=O)[O-])cc3)cc2)n1 17642016 MVNHFAIPHZFSEO-UHFFFAOYSA-N 428.539 4.494 5 20 IIBD O=C(CSc1nnc(C2CC2)n1Cc1ccco1)Nc1ccc(Cl)cc1[N+](=O)[O-] 21743966 DHCKKTULJNSQEG-UHFFFAOYSA-N 433.877 4.089 5 20 IIBD CC(C)NS(=O)(=O)Cc1ccccc1CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 22015801 USKFMCVCUNTACA-UHFFFAOYSA-N 431.436 4.054 5 20 IIBD C[C@H](NC(=O)COC(=O)CSc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl 25065441 NZQPFSCXRLPBSX-NSHDSACASA-N 443.308 4.414 5 20 IIBD COc1ccc(-c2csc(NC(=O)[C@@H](C)N(C)Cc3ccccc3[N+](=O)[O-])n2)cc1 26349378 VIMQZPURTJIYAK-CQSZACIVSA-N 426.498 4.186 5 20 IIBD CCOc1cc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c([N+](=O)[O-])cc1OC 26782065 VUSKEXUQXSKSJN-UHFFFAOYSA-N 443.437 4.107 5 20 IIBD O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F)c1ccc([N+](=O)[O-])cc1 31651466 KNMPUEMDFAXBNC-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2C(=O)N(C)CCC(C)C)c1 64301320 ZSLAERRKGSKJOB-UHFFFAOYSA-N 433.530 4.131 5 20 IIBD O=[N+]([O-])c1ccc(NCc2cccc(C(F)(F)F)c2)c(S(=O)(=O)N2CCCC2)c1 68837781 HJANONCERCXWEI-UHFFFAOYSA-N 429.420 4.010 5 20 IIBD O=C(Nc1ccccc1OC[C@H]1CCCCO1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 108917669 IGUFBVWVMORIPF-LJQANCHMSA-N 439.512 4.398 5 20 IIBD C[C@@H](Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 249692402 MMOFHGGTYBSJSN-OAHLLOKOSA-N 443.529 4.209 5 20 IIBD O=C(C[C@H]1C=CCC1)Nc1ccccc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 303337028 UVRILVBUXZBKDS-INIZCTEOSA-N 431.452 4.328 5 20 IIBD COc1cc(OCC(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)ccc1[N+](=O)[O-] 410041134 LJZUSTXXSGMADZ-RUZDIDTESA-N 448.475 4.213 5 20 IIBD Cn1c(CCNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])nc2cc(F)ccc21 426382335 ZPEFAERESQVOGU-UHFFFAOYSA-N 448.454 4.172 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3ccccc3OC(C)C)CC2)ccc1[N+](=O)[O-] 431875122 JMYDIWWTFWESFD-UHFFFAOYSA-N 428.489 4.135 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 435995409 NDSGBYBKPJNNGI-JOCQHMNTSA-N 425.229 4.240 5 20 IIBD Cc1ccc(NC(=O)CS[C@H](C)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 437109728 YGZCSTLSPVRXQC-MRXNPFEDSA-N 427.526 4.155 5 20 IIBD O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437796833 HKNHQDYNYWWWIC-UHFFFAOYSA-N 442.369 4.466 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N(CCc1ccccn1)Cc1ccncc1 438306060 YDLJYDCOIFIPKO-UHFFFAOYSA-N 439.903 4.035 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(c2cccc3cnccc23)C[C@H]1C 439882053 ZMNARYNSPDNUKB-MRXNPFEDSA-N 435.484 4.284 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC([C@@H]3CCCO3)CC2)cc1 439882534 QCGDRTDMJCGSBX-NRFANRHFSA-N 426.469 4.427 5 20 IIBD CC(=O)c1ccc(OCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)c([N+](=O)[O-])c1 440843264 GIQAGZUNADOUCP-NRFANRHFSA-N 428.441 4.283 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCOc2c(Br)cccc21 441534254 PGQMKUFXCKOYOD-UHFFFAOYSA-N 431.164 4.415 5 20 IIBD CC(C)(C)[C@@H](Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])c1nc(-c2nc[nH]n2)no1 441954507 PRKFERNLTHDACP-SFHVURJKSA-N 447.455 4.193 5 20 IIBD C[C@@H]1CCN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)[C@H]1CO 443386016 IEOMZBLYZSFOLF-WBMJQRKESA-N 429.523 4.199 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 443726263 WFQFJPPKZKFHNK-AWEZNQCLSA-N 433.461 4.060 5 20 IIBD O=C(NCc1cccc2c1OCCCO2)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444253851 QQQUMFDIIBLTTH-UHFFFAOYSA-N 436.414 4.051 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccccc1OC[C@@H]1CCCCO1 445921899 OUEOPFRMEFPZER-INIZCTEOSA-N 449.301 4.486 5 20 IIBD O=C(Cc1nc(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)cs1)Nc1ccccc1 446075316 XSFQWSPRQUKZLG-UHFFFAOYSA-N 427.873 4.284 5 20 IIBD C[C@@H]1CN(c2cccc3cnccc23)CCN1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl 446191488 IQSKIHCNHCQKID-OAHLLOKOSA-N 439.903 4.217 5 20 IIBD Cc1cccc(N2CCC(Nc3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])CC2)n1 447686657 GBGBIXZMXHTOTO-UHFFFAOYSA-N 431.365 4.428 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(OCC(F)F)c2ccccc12 460431051 XWTANAFKCDINPU-UHFFFAOYSA-N 438.408 4.201 5 20 IIBD C[C@@H]1C[C@H](NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C(=O)N1c1ccccc1 461291263 GPXXRTAQNOBCOB-VGSWGCGISA-N 444.491 4.131 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(Br)s3)CC2)cc1OC(F)F 462104378 JWJHUUNJOZNCNF-UHFFFAOYSA-N 448.289 4.342 5 20 IIBD CCOc1cc(NC(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)c([N+](=O)[O-])cc1OCC 462252896 LUMBZOBUPAKMEZ-VQIMIIECSA-N 429.473 4.434 5 20 IIBD COc1cc([C@@H](C)Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)cc(OC)c1OC 462482920 INBOFQVSGQUWFY-OAHLLOKOSA-N 439.468 4.768 5 20 IIBD CCOc1cc(C(=O)NC[C@@H]2CCCO[C@H]2c2ccc(C)cc2)c([N+](=O)[O-])cc1OC 464887445 QZFOUZNAYJFEIB-JTSKRJEESA-N 428.485 4.208 5 20 IIBD Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 470072714 MFRSJTCJWVBYLU-GOTSBHOMSA-N 439.512 4.376 5 20 IIBD COC[C@@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccco1 471520250 PMBOFWFYQWJHGD-OAQYLSRUSA-N 446.463 4.087 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)c1cc(SC)ccc1[N+](=O)[O-] 474755205 JCKLOOMWWQUPBW-UHFFFAOYSA-N 437.905 4.046 5 20 IIBD Cc1cc(=O)c(C(=O)Nc2ccccc2N(C)C2CCCC2)nn1-c1ccccc1[N+](=O)[O-] 475193970 DRMLBVIKHOYRJY-UHFFFAOYSA-N 447.495 4.080 5 20 IIBD COc1cc(C)c(NC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])cc1F 478785287 WCUIYAAFWFXUML-UHFFFAOYSA-N 447.444 4.347 5 20 IIBD CCn1c(SC[C@@H](O)COCc2ccc(Cl)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 480372961 UDMXYTNFGRXCRE-SFHVURJKSA-N 448.932 4.196 5 20 IIBD COc1cccc(CNC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1OC 481075416 KXHOOJQKLPYZNQ-HZPDHXFCSA-N 427.501 4.024 5 20 IIBD Cc1c(CNC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@H]3C)cc2)cccc1[N+](=O)[O-] 481473057 MHIMJFQQESOIBT-CALCHBBNSA-N 439.512 4.002 5 20 IIBD CC(C)(C)C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 482492296 HYZWDTMBNAJACX-UHFFFAOYSA-N 427.526 4.077 5 20 IIBD O=[N+]([O-])c1cnc(N2CCO[C@@H](c3cccc(Br)c3)C2)c(Br)c1 485198996 YJMRMGVUYGUMBB-CQSZACIVSA-N 443.095 4.093 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCO[C@@H](COCC2CC2)C1 485554111 ZHHURDOOIZGJQH-GOSISDBHSA-N 428.510 4.014 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)c(C)c([N+](=O)[O-])c1 485957712 PAELONWCOYGXKW-UHFFFAOYSA-N 449.250 4.435 5 20 IIBD CSc1cccc(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)c1[N+](=O)[O-] 486131860 XEJWTTAPHKQZOU-UHFFFAOYSA-N 426.454 4.484 5 20 IIBD Cc1cc(CN(CC(C)C)C(=O)c2cccc([N+](=O)[O-])c2C)nc(N2CCCCC2)n1 486148856 JBCGCBYCCRBYDM-UHFFFAOYSA-N 425.533 4.290 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)cc1[N+](=O)[O-] 488070496 PJUHZRLZBXCSKC-ODXCJYRJSA-N 431.901 4.363 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(OC(F)F)c3ncccc23)c([N+](=O)[O-])cc1OC 489976907 BUTUBXLDALBZCD-UHFFFAOYSA-N 433.367 4.404 5 20 IIBD O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(NC(=O)C2CCCCC2)c1 490394232 CAUKDXAUGCPKMB-UHFFFAOYSA-N 434.456 4.151 5 20 IIBD O=C(NCCn1cc([N+](=O)[O-])cn1)c1oc2ccccc2c1CSc1ccccc1F 491019598 PACVAQMKALKMJK-UHFFFAOYSA-N 440.456 4.399 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-] 494028069 PEQXOJJGLYRVAQ-SNVBAGLBSA-N 429.782 4.391 5 20 IIBD CCOc1cccc2cc([C@@H](C)NC(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)oc12 494194230 GFABDMZPLRZCHN-CQSZACIVSA-N 427.461 4.044 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N(C)[C@@H](C)C3CCN(C)CC3)cc2[N+](=O)[O-])n1 495333095 BRQJMHYYPQJEMV-AWEZNQCLSA-N 434.587 4.313 5 20 IIBD CCCn1c2ccccc2c2nnc(SCc3cc([N+](=O)[O-])cc4c3OCOC4)nc21 495469967 KURWSGVFEXROTD-UHFFFAOYSA-N 437.481 4.457 5 20 IIBD Cc1cc(C)n(-c2ccc(C(=O)N3CCS[C@H]3c3ccc([N+](=O)[O-])cc3)cc2F)n1 498151877 FHWGKDWUEWMPFD-NRFANRHFSA-N 426.473 4.424 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H](CCc1ccccc1)c1ccccc1 502990555 KOKZBWLURDXKIU-QHCPKHFHSA-N 431.492 4.205 5 20 IIBD Cc1c(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)cccc1[N+](=O)[O-] 504872128 ZCRVYVVTFJYDIL-HXUWFJFHSA-N 431.920 4.139 5 20 IIBD CC(C)N(C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1ccc(Cl)c(Cl)c1 505069841 BWCOCPZLIZGECJ-UHFFFAOYSA-N 431.297 4.360 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCN([C@@H](C)c2ccccc2F)C1=O 505479548 JIVOLTWLHCUWAC-CECAUBDESA-N 441.503 4.171 5 20 IIBD CCOCCC1(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1 505530314 PFMCKTRLLKRYHL-UHFFFAOYSA-N 443.466 4.153 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1ccccc1-c1c(F)cccc1F 506679704 DUCHCGDLMCJZMN-UHFFFAOYSA-N 439.418 4.180 5 20 IIBD CCOc1cc(Br)c(NC(=O)COc2cccc([N+](=O)[O-])c2)cc1OCC 508020700 IRDPGVZLTOOKAG-UHFFFAOYSA-N 439.262 4.172 5 20 IIBD COc1cc(C(=O)N(C)c2ccc(Br)cc2Cl)c([N+](=O)[O-])cc1OC 508148878 OULXADPWNQCMCQ-UHFFFAOYSA-N 429.654 4.305 5 20 IIBD Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)N(C)C 510509990 FWDGQDDWKCLJOI-MZNJEOGPSA-N 449.555 4.186 5 20 IIBD C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1cccc(S(=O)(=O)NCc2ccco2)c1 512365300 VWJJEWHRJYLYBG-LFIBNONCSA-N 427.482 4.182 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NCc1cccc(Oc2ccccc2)c1 518655161 BDPYNTPBQYGCHQ-UHFFFAOYSA-N 439.855 4.087 5 20 IIBD O=C(NCCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(Br)cc1 518760619 FEIOQLDEYAFORM-UHFFFAOYSA-N 444.285 4.137 5 20 IIBD Cc1nc(C)c(-c2csc(NC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)n2)s1 520027016 BNSYFLMMESVXED-UHFFFAOYSA-N 426.483 4.230 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 520100497 QXHSKLKXBIKMDJ-UHFFFAOYSA-N 446.438 4.257 5 20 IIBD COCCN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@H](C)c1cccc(C(F)(F)F)c1 520152543 KJLOCKTWUAZNBW-CQSZACIVSA-N 425.407 4.262 5 20 IIBD CCCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ccccc1 522873965 AKTPXMSNQGTTBV-HUUCEWRRSA-N 433.892 4.281 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(COC(C)C)cc2)ccc1[N+](=O)[O-] 523272256 LWNWJPCANSAMDN-NRFANRHFSA-N 425.485 4.072 5 20 IIBD CCN(CC(C)C)C(=O)c1ccccc1NS(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 523448081 FDANMSBYOPNWLZ-UHFFFAOYSA-N 433.530 4.131 5 20 IIBD O=C(NCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1)c1c(Cl)cccc1[N+](=O)[O-] 524211418 TXLJYKGOMKMOJH-UHFFFAOYSA-N 447.894 4.479 5 20 IIBD Cc1ccc(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cc1OCC1CCOCC1 525465612 SCDCRHPCYIDPRG-UHFFFAOYSA-N 437.452 4.215 5 20 IIBD COc1ccc(CSCC(=O)N2CCC(Nc3cccc(C)c3)CC2)cc1[N+](=O)[O-] 525493943 WGYJGDFIIVHUSH-UHFFFAOYSA-N 429.542 4.248 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1I 532727036 HIEWEFRQIBJMTP-UHFFFAOYSA-N 442.228 4.091 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](c2ccccc2)C[C@@H]1C 534215547 YOIBXYMJDBSEEF-DOTOQJQBSA-N 428.510 4.268 5 20 IIBD O=C(Nc1cnn(-c2ccccc2Br)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 535978035 NMSQETWWVQPGTI-UHFFFAOYSA-N 442.273 4.133 5 20 IIBD CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 536194705 ZHOHKXXLNLPESZ-UHFFFAOYSA-N 428.876 4.149 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccc(Br)c2ccccc12)c1cccc([N+](=O)[O-])c1 538076623 DFFQFBONBSUQFR-GFCCVEGCSA-N 442.269 4.326 5 20 IIBD C[C@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(OCc2cccnc2)cc1 540328228 NDVVZGLEBIATJP-INIZCTEOSA-N 431.452 4.470 5 20 IIBD CN(Cc1cc(Br)cn1C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 542230374 PUSVVPNYAOSBNG-UHFFFAOYSA-N 432.727 4.100 5 20 IIBD COc1ccc(C(=O)N2CCCC2)cc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 544098341 GOGLNIZMOIHFSG-UHFFFAOYSA-N 449.916 4.224 5 20 IIBD CN(CCCOCc1ccccc1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 545257218 UBWIMLQCTDYUSF-UHFFFAOYSA-N 425.407 4.362 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(CCSCc3ccccn3)n2)c(Br)c1 547150182 CNVNSYASXLCKPB-UHFFFAOYSA-N 435.303 4.202 5 20 IIBD CCOC(=O)C1CCC(N(CC)C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)CC1 551368400 MIHSXXNJTKHPHQ-UHFFFAOYSA-N 441.322 4.250 5 20 IIBD COc1ccc(CC(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)cc1[N+](=O)[O-] 552827129 MJSNHZIECFJKGY-BFUOFWGJSA-N 438.402 4.153 5 20 IIBD O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 554084414 SEIHQYZFIJBONM-UHFFFAOYSA-N 425.416 4.006 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(Oc2ccc(F)cc2F)CC1 555530689 LXLLAPWKHNVMND-LBPRGKRZSA-N 439.846 4.397 5 20 IIBD C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)c2ccccc12 561629954 ZDLIJRHQVYSNCG-SCLBCKFNSA-N 441.484 4.431 5 20 IIBD CCOC(=O)c1sc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)nc1C(F)(F)F 562323286 FHBSJWOWGMORRQ-MRVPVSSYSA-N 449.432 4.366 5 20 IIBD C[C@@H]1c2nnc(C3CCCC3)n2CCN1c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 563911342 RRERPLDGUNMLCU-MRXNPFEDSA-N 434.500 4.399 5 20 IIBD O=C(c1ccccc1OC(F)F)N1CCC[C@@H]1c1nc(-c2ccc([N+](=O)[O-])s2)no1 566645516 LULBKOLXILWZGP-LLVKDONJSA-N 436.396 4.285 5 20 IIBD COc1cc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc(S(C)(=O)=O)c1 569702771 OBCAYLCLPGTTLU-UHFFFAOYSA-N 441.465 4.003 5 20 IIBD CC[C@@H](NC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 573127697 RWNGQNDEASAYJZ-CYBMUJFWSA-N 440.399 4.103 5 20 IIBD CN1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H]1c1cccs1 573867748 IFJJMQJVVDMKDO-PXAZEXFGSA-N 427.448 4.488 5 20 IIBD O=C(Nc1cccc(C[S@@](=O)C2CCCCC2)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 578161344 HIHNTBSYGKLJBS-SSEXGKCCSA-N 430.482 4.157 5 20 IIBD O=C(Nc1cc(Cl)ccc1-c1nc(C2CC2)no1)c1cc2c(cc1[N+](=O)[O-])OCO2 581918811 YCWCTNSLVOUSEX-UHFFFAOYSA-N 428.788 4.157 5 20 IIBD O=C(NC1(c2noc(-c3ccc([N+](=O)[O-])cc3Br)n2)CCC1)c1ccccc1 589154818 JQCLLACQELNONR-UHFFFAOYSA-N 443.257 4.217 5 20 IIBD COCCN1C(=O)C2(CC2)N[C@H]1c1ccc(Oc2cc(C)ccc2C(C)C)c([N+](=O)[O-])c1 602757720 OBOPTQMZQTXFIU-JOCHJYFZSA-N 439.512 4.428 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1 603721820 LPNMJQQQYKRDKY-SFHVURJKSA-N 429.885 4.462 5 20 IIBD CCCCc1c(C)nc2nc(S[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)nn2c1C 603918462 YGSFZEGIFMQOCW-AWEZNQCLSA-N 428.518 4.111 5 20 IIBD Cc1ccc([C@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)N2CCOCC2)o1 608835901 XEAVLIVNCYEJIN-FQEVSTJZSA-N 427.526 4.388 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)Nc2cccc(CCCc3ccccc3)c2)cc1[N+](=O)[O-] 608850434 SECFMQPSGGQQNU-UHFFFAOYSA-N 438.505 4.426 5 20 IIBD O=C(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)N1N=C(c2ccco2)C[C@H]1c1ccco1 609151061 SJXRRXRBWXIJJI-IBGZPJMESA-N 431.408 4.022 5 20 IIBD O=C(NCCCOC[C@H]1CCOC1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 610118796 JGMHIXLOTVGNCN-OAHLLOKOSA-N 434.876 4.214 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(-c3nc(C4C[C@@H]5CC[C@H](C4)N5C)no3)cc2[N+](=O)[O-])C1 612954740 POARHECCKLSMGE-MFPFQMFZSA-N 425.533 4.467 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2cccc(Cl)c2Cl)cc1OC 619564704 YBWNCKNMUWQNFE-UHFFFAOYSA-N 443.283 4.208 5 20 IIBD Cc1ccc(-c2csc(NC(=O)Cc3cc(F)cc4c3OCOC4)n2)cc1[N+](=O)[O-] 619729675 XHYFHDRHKVGTLL-UHFFFAOYSA-N 429.429 4.214 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 725736493 MILLRHJADHHZOM-INIZCTEOSA-N 440.500 4.325 5 20 IIBD O=C1CN(CN2CCC[C@H]2c2cccc3ccccc23)C(=O)N1c1cccc([N+](=O)[O-])c1 726586821 QSLSELFVMYAXGP-QFIPXVFZSA-N 430.464 4.311 5 20 IIBD C[C@H](OC(=O)CC[C@H](O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 726872882 JYBBYVIRHZOVLY-XOBRGWDASA-N 446.475 4.415 5 20 IIBD C[C@H](OC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 729778905 DZTVTMQHQKGTAV-INIZCTEOSA-N 447.447 4.055 5 20 IIBD Cc1ccc(F)c2c1CCCN2C(=O)c1ccc(I)c([N+](=O)[O-])c1 731583348 PXIGGKKRCJGEQG-UHFFFAOYSA-N 440.212 4.240 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)OCCOc2ccccc2Br)cc1OC 734729593 NLCDQDKWEITFFK-UHFFFAOYSA-N 440.246 4.000 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CCCCC[C@H]1c1ccco1 736640681 IPHCQXDBEWKUPG-ZDUSSCGKSA-N 429.292 4.256 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(CSC3CCCC3)c2)c([N+](=O)[O-])c1 740812792 BGHYZOJRHPIAEL-UHFFFAOYSA-N 437.499 4.480 5 20 IIBD O=C(Cc1csc(NC(=O)c2ccccc2F)n1)OCc1ccc(Cl)c([N+](=O)[O-])c1 741439503 IGMNUYFBFUWJOS-UHFFFAOYSA-N 449.847 4.382 5 20 IIBD C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)Oc1ccc(Br)cc1 742876218 RFIRWOYVYBJKGM-CQSZACIVSA-N 448.317 4.155 5 20 IIBD CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 744366056 WZGLRMUVKSUYTA-UHFFFAOYSA-N 433.427 4.427 5 20 IIBD C[C@H](OC(=O)c1cc2cc(C(F)(F)F)ccc2n1C)C(=O)Nc1cccc([N+](=O)[O-])c1 745629551 GPPCJJBUPRFPJF-NSHDSACASA-N 435.358 4.289 5 20 IIBD O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 745749838 OQBKXTJUDUPRAN-HNNXBMFYSA-N 438.223 4.119 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(OS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 747280591 UFXYTIXCIOOZKP-UHFFFAOYSA-N 427.605 4.231 5 20 IIBD Cc1c(CC(=O)N2CCC(N(CC3CC3)C(=O)OC(C)(C)C)CC2)cccc1[N+](=O)[O-] 747910655 NCSAHYGZGJPDEF-UHFFFAOYSA-N 431.533 4.084 5 20 IIBD C[C@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 747962388 OJLDRECUDDWNTH-XJIUQZFPSA-N 431.514 4.205 5 20 IIBD COc1ccc(CN2C(=O)/C(=C\c3ccc([N+](=O)[O-])c(O)c3)c3ccccc3C2=O)cc1 748147467 GEICMGSOCYKRIQ-NDENLUEZSA-N 430.416 4.032 5 20 IIBD CSc1ccc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1 748951267 OCFSWRWSRWTETI-LBPRGKRZSA-N 433.442 4.026 5 20 IIBD O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)C1CCN(C(=O)c2ccc(Cl)s2)CC1 751648678 GDAADQUEJKDLQV-UHFFFAOYSA-N 449.872 4.047 5 20 IIBD Cc1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])c(Br)cc2F)cc(C)c1F 751690725 DUZIHINZKMWXOG-UHFFFAOYSA-N 428.185 4.292 5 20 IIBD Cc1ccc(CCC2CCN(C(=O)COC(=O)c3c(F)ccc([N+](=O)[O-])c3F)CC2)cc1 752568215 OEGZNICDGLLFCU-UHFFFAOYSA-N 446.450 4.210 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(O[C@H]3CCCC[C@H]3O)cc2)cc1[N+](=O)[O-] 753080632 RSXFCFKZAOLCEZ-MSOLQXFVSA-N 440.905 4.040 5 20 IIBD COc1ccc(NC(=O)[C@H](OC(=O)CCc2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 756536478 MQMSONULYCFBER-HSZRJFAPSA-N 434.448 4.459 5 20 IIBD O=C(O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 759932780 NNZFGYAYDMBYJB-JKSUJKDBSA-N 443.441 4.164 5 20 IIBD CN(C)[C@H]1CCCN([C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)CC1 759977765 PYPYJDDGWOUUGL-GHTZIAJQSA-N 430.936 4.344 5 20 IIBD Cn1c(S[C@H]2CCCN(Cc3ccccc3)C2=O)nc2cc3ccccc3cc2c1=O 760308731 NSKCTONXJIYRON-QFIPXVFZSA-N 429.545 4.370 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1F 760343420 VBGVHNFWLIWRKW-ZDUSSCGKSA-N 449.504 4.024 5 20 IIBD O=C1CCCN1CC[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c2ccccc21 760861960 ZYYIUOMJDBBDQP-GOSISDBHSA-N 432.480 4.366 5 20 IIBD CC[C@H](C)n1ncc(C(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)c1C1CC1 760979856 HHLXRUBOXFZOHM-HNNXBMFYSA-N 427.505 4.108 5 20 IIBD CC(C)(C)OC(=O)N1CCC(Cc2noc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)n2)CC1 761753558 GUTKIESRMUMROT-UHFFFAOYSA-N 441.488 4.240 5 20 IIBD COc1ccc(Cc2noc(-c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)n2)cc1OC(F)F 761791696 JIDGKYFVUMQHHN-UHFFFAOYSA-N 443.366 4.031 5 20 IIBD CO[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1ccccc1Cl 764038421 VMYIKPRYCXPSTF-AWEZNQCLSA-N 431.645 4.267 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N2CC3(CCC3)c3ccccc32)cc1[N+](=O)[O-] 765851127 PITLFSLOFHOIAK-UHFFFAOYSA-N 444.285 4.073 5 20 IIBD Cc1cc(Br)ccc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])c2cccnc12 766232916 PVOUQQDGDDDQFO-UHFFFAOYSA-N 444.241 4.009 5 20 IIBD C[C@H](OC(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 766774502 CHTLMXVCRJYNPS-AXTRIDKLSA-N 442.777 4.339 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](O)c2ccc(-c3ccccc3)cc2)cc1SC 768555434 WGKFUCONTNZICR-FQEVSTJZSA-N 438.505 4.456 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)C1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 769309831 FXJJFTZRAMQCHN-INIZCTEOSA-N 443.548 4.121 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@H](C)Oc1cccc2ccccc12 769361020 ZIGXEDPRBIQLAD-CABCVRRESA-N 438.436 4.094 5 20 IIBD O=C(Nc1ccccc1C(=O)NCc1ccc(O)c(F)c1)c1ccc([N+](=O)[O-])cc1Cl 769554728 GJIBUKPPFPETDN-UHFFFAOYSA-N 443.818 4.275 5 20 IIBD COc1cc(NC2CCN(C(=O)Nc3ccc([N+](=O)[O-])c(Cl)c3)CC2)cc(OC)c1 770017357 CJVZEEJMDOCORT-UHFFFAOYSA-N 434.880 4.374 5 20 IIBD O=C(NCC(F)(F)F)c1ccc(NCc2c(Br)cccc2[N+](=O)[O-])cc1 775178782 ACEMJAFZIPYRSQ-UHFFFAOYSA-N 432.196 4.262 5 20 IIBD C[C@@H]1CN(c2ccc(NC(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@@H](C)O1 778264740 RNFPWKGGRUOOEU-HUUCEWRRSA-N 432.908 4.226 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 779354616 JQGXCMDGFZUFQF-IUODEOHRSA-N 443.447 4.104 5 20 IIBD COc1cc([C@@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C(F)(F)F)cc(OC)c1OC 779453067 VGDDKIZENUZKEI-MRXNPFEDSA-N 448.781 4.307 5 20 IIBD O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781730459 UCXWNGIFQKOPBW-LEWJYISDSA-N 436.855 4.042 5 20 IIBD COC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2Br)sc2c1CCCC2 782120871 FYYHPINGONUCFS-UHFFFAOYSA-N 439.287 4.337 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N[C@H](c2ccccc2)C2CCC2)cc1[N+](=O)[O-] 784701575 IHTVLCWDVYJYTG-GOSISDBHSA-N 446.301 4.262 5 20 IIBD O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCC(C(=O)C(F)(F)F)CC1 784895045 XRNMEMNFWITQPD-UHFFFAOYSA-N 436.386 4.157 5 20 IIBD Cc1cc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cnc1Br 785930332 USXIEYWKSDZPPY-UHFFFAOYSA-N 433.184 4.401 5 20 IIBD C[C@@H](NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1ccc(N)c([N+](=O)[O-])c1 788753106 HZTSSEUDNMDMAC-CYBMUJFWSA-N 436.434 4.151 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@H]1C[C@H]1c1cccc(Br)c1 790550355 AIITUFGHPYEUFL-WFASDCNBSA-N 427.657 4.365 5 20 IIBD CCC[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@H](O)c1ccccc1 792581400 LNNWQGOZCPPVHN-WMLDXEAASA-N 425.254 4.129 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)(C)C 798811746 GPXUYJITBQEORZ-CQSZACIVSA-N 433.427 4.283 5 20 IIBD Cc1ccc(C2=NO[C@@H](CNC(=O)Cn3c4ccccc4c(=O)c4ccccc43)C2)cc1C 801390630 JXJXGPROQBTDDH-HXUWFJFHSA-N 439.515 4.081 5 20 IIBD O=C(Cn1cc(Cl)cn1)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 808552097 VSKDEBMXCKTKLB-SFHVURJKSA-N 449.250 4.021 5 20 IIBD Cc1nn(C)c(Cl)c1Cc1noc(-c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)n1 809488587 LGZPIYMMXZZKDF-UHFFFAOYSA-N 430.896 4.167 5 20 IIBD Cc1ccc(NC(=O)NC(=O)COC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c(C)c1 811374377 HUVLIYDZVIKNQH-UHFFFAOYSA-N 440.239 4.024 5 20 IIBD O=Cc1cc(Oc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])cc(C(F)(F)F)c1 811860417 MXUZYWQLRUYACD-UHFFFAOYSA-N 425.287 4.215 5 20 IIBD C[C@@H]1CN(c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])cn2)C[C@@H](C)O1 812916842 JNHLFSJKSIXWDJ-GHMZBOCLSA-N 425.272 4.163 5 20 IIBD O=C(Nc1cc2c(cn1)CCCC2)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 813014310 UIGWRFNUECUALT-UHFFFAOYSA-N 431.290 4.221 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 815216758 OWEVLBAVYGAMMT-OLZOCXBDSA-N 445.438 4.379 5 20 IIBD Cc1nc(NC(=O)[C@H](C)OC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)sc1C 826130766 MCHIGBZROXTSMK-AWEZNQCLSA-N 446.529 4.088 5 20 IIBD COc1ccc(-c2nc(Cc3noc(-c4ccc([N+](=O)[O-])c5cccnc45)n3)co2)cc1 904327381 JTRASXCGANZXNJ-UHFFFAOYSA-N 429.392 4.447 5 20 IIBD CCc1ccc(-c2noc([C@@H]3CCCCN3S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 904573540 GMKVRMTUGLTNLD-IBGZPJMESA-N 442.497 4.123 5 20 IIBD C[C@H](NC(=O)/C(=C\c1cccs1)n1nnnc1-c1ccccc1)c1cccc([N+](=O)[O-])c1 917701284 NOAKORNJTNGVDS-AUQXIXNCSA-N 446.492 4.185 5 20 IIBD O=C(Nc1ccccc1COc1ccccc1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 917866665 GYVNONAROIZXPQ-KRWDZBQOSA-N 449.438 4.305 5 20 IIBD COc1ccc(C(=O)OCC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 918876595 YMVPOZAUATYRQW-LJQANCHMSA-N 440.496 4.421 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 919010899 ZDNXISYPKNDHFU-UHFFFAOYSA-N 440.412 4.349 5 20 IIBD CC(C)[C@@H](OC(=O)CCOc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)CCC2 919491337 NXASZDZPWXDDBN-JOCHJYFZSA-N 426.469 4.059 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 920906866 JTMUOLBRZUUWQB-HSZRJFAPSA-N 432.436 4.139 5 20 IIBD CC(C)c1oc(-c2ccccc2)nc1C(=O)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 1115895880 XJYVZTPXFKKVFJ-UHFFFAOYSA-N 435.436 4.119 5 20 IIBD O=C(c1ccc2nc(-c3ccccc3)oc2c1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1116879683 KBMFMKXRVWEKMU-UHFFFAOYSA-N 442.475 4.361 5 20 IIBD O=C(Nc1cccc(C(=O)N2CCc3ccccc32)c1)N1Cc2ccc([N+](=O)[O-])cc2C1 1252222635 UDZOYSYEKRTKGO-UHFFFAOYSA-N 428.448 4.345 5 20 IIBD COc1c(C(=O)OCC(=O)N(CC(F)(F)F)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 1325037100 YZEQBCDSOHHVSO-UHFFFAOYSA-N 446.765 4.009 5 20 IIBD COc1cc(C(=O)N2[C@@H](C)[C@H](c3ccccc3)OC[C@H]2C)c([N+](=O)[O-])cc1OC(F)F 1518404303 QTOFTJGAFRUUPG-QHRIQVFBSA-N 436.411 4.196 5 20 IIBD C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc([N+](=O)[O-])o2)n[nH]1)c1cccs1 1814313763 XRPZZEOBCIGRCI-GXTWGEPZSA-N 443.485 4.082 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1824342898 OSKJISZAQPTYSS-PGRDOPGGSA-N 429.561 4.193 5 20 IIBD Cc1ccccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1829943386 RTVSRKARTHJKFV-DEOSSOPVSA-N 449.551 4.379 5 20 IIBD Cc1cccc(C)c1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 5361293 ABXCDCAQIMURGO-UHFFFAOYSA-N 425.485 4.243 5 20 IIBD COc1ccc(CNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)cn1 11003478 IPRAGMBKFKAXRN-UHFFFAOYSA-N 426.860 4.194 5 20 IIBD NC(=O)c1ccc(NCc2cn(Cc3ccccc3)nc2-c2ccccc2)c([N+](=O)[O-])c1 11607235 QXWRVKUABGMAIX-UHFFFAOYSA-N 427.464 4.218 5 20 IIBD Cc1cc(N2CCCC2)ccc1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 14386788 RQPGRZYOOQBXDE-UHFFFAOYSA-N 438.513 4.035 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccc(Br)cc1 15174973 PPQYJQBLNJRFJX-UHFFFAOYSA-N 441.303 4.324 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] 17862219 ULXHHNJRVZLEBN-UHFFFAOYSA-N 440.681 4.030 5 20 IIBD CSc1cccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 24217370 RKYLWSNNGIPHAK-UHFFFAOYSA-N 429.498 4.103 5 20 IIBD Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 24769032 VZWQNTRTCBRUTF-HNNXBMFYSA-N 439.390 4.130 5 20 IIBD CC(C)NC(=O)c1ccc(N2CCN(Cc3cccc4ccccc34)CC2)c([N+](=O)[O-])c1 28742393 YZWKVGSBFQRSAS-UHFFFAOYSA-N 432.524 4.208 5 20 IIBD CCCc1noc(COC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 29413933 JJUSAUSYPQODFR-UHFFFAOYSA-N 429.816 4.172 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(Br)cn3)cc2[N+](=O)[O-])C1 60657534 DNLAYECSIULVLL-BETUJISGSA-N 433.306 4.487 5 20 IIBD CCC(CC)(NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(Cl)cc1 97575829 RYCWAYPTYIPSKA-UHFFFAOYSA-N 438.311 4.463 5 20 IIBD COCCOc1ccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 106163331 PSKCMAPJAQCGDL-UHFFFAOYSA-N 430.404 4.370 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)cc2)cc1 108458280 BKEGJFHTSQAPKB-MRXNPFEDSA-N 439.493 4.195 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Oc3ccncc3)cc2)ccc1[N+](=O)[O-] 110318209 KVXCYYUNHUQSNM-JOCHJYFZSA-N 446.463 4.334 5 20 IIBD COc1ccc(-c2ccc(CNc3ccc(CCN4CCOCC4)cc3)o2)c([N+](=O)[O-])c1 237427787 BNOKUAIZNUAMPK-UHFFFAOYSA-N 437.496 4.350 5 20 IIBD Cc1ccc(NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)cc1NC(=O)C(C)(C)C 303551295 VZMSUDIRUCFKCW-UHFFFAOYSA-N 436.472 4.029 5 20 IIBD COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)c2ccc([N+](=O)[O-])cc2OC)c1 427363906 ZWMPJUCXUWSCJA-UHFFFAOYSA-N 436.420 4.221 5 20 IIBD COCCN(Cc1cc(Br)cs1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 427799341 DZIBJZZEHPUEIO-UHFFFAOYSA-N 438.303 4.189 5 20 IIBD CC[C@@H](C)N(Cc1ccccc1)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C 430325992 YBDVYULLVSBLEJ-CYBMUJFWSA-N 448.317 4.432 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCO[C@@H](c2ccc(Cl)cc2)C1 431165842 HBOFCVWJOQFCPG-MRXNPFEDSA-N 425.666 4.224 5 20 IIBD COCCOc1cccc(CCC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1 431258909 ZOUJDKSYRVTHGP-UHFFFAOYSA-N 437.290 4.262 5 20 IIBD C[C@@H]1CC[S@](=O)CCN1C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 432459264 YFOVJGOSLLTYQJ-QYSRSOONSA-N 438.958 4.383 5 20 IIBD O=C(NCCc1ccc(Br)s1)c1ccc2[nH]c3ccccc3c(=O)c2c1 435933200 BTCQWDDSYCKGRO-UHFFFAOYSA-N 427.323 4.478 5 20 IIBD CCC(C)(C)OCc1ccccc1NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437054342 KBLKTNJQCVCOPE-UHFFFAOYSA-N 439.512 4.430 5 20 IIBD COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 438217518 SCXLFIMGSMNQFG-UHFFFAOYSA-N 442.516 4.049 5 20 IIBD Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 438920013 QWSLCUYRVRUAQL-CYBMUJFWSA-N 431.876 4.102 5 20 IIBD COc1cc(C(=O)N(Cc2ncc[nH]2)c2cc(C)ccc2Cl)c([N+](=O)[O-])cc1OC 440870802 DBJPWAOEHJPMMK-UHFFFAOYSA-N 430.848 4.144 5 20 IIBD CC1(C)CCc2ccccc2[C@H](NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 441385114 CCXANDRTVPKLLW-QGZVFWFLSA-N 427.526 4.006 5 20 IIBD O=C(c1cc(N2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)ccc1[N+](=O)[O-])N1CCCC1 443893174 COQZJSGGEKJNQJ-OAHLLOKOSA-N 438.459 4.495 5 20 IIBD C[C@@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)[C@@H]1CCN(Cc2ccccc2)C1 444304887 YFKHNMXRTUWULR-IEBWSBKVSA-N 443.522 4.461 5 20 IIBD CCCc1c(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cnn1-c1cccc(C)c1 446975965 FEZKTTAPHOKVPK-UHFFFAOYSA-N 430.468 4.479 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 447812077 JNGORFJAASVCDW-NQIIRXRSSA-N 435.883 4.162 5 20 IIBD O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 460199745 FGFADSZSSLRLEW-UHFFFAOYSA-N 436.295 4.321 5 20 IIBD Cc1cnc([C@@H](NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C2CC2)s1 460328809 QPGTUADQSHBGEY-INIZCTEOSA-N 428.436 4.448 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)Nc2cccc3nccn23)cc1[N+](=O)[O-] 460342277 ZAUUNDNJUFPSDK-UHFFFAOYSA-N 432.461 4.448 5 20 IIBD CSc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)cc1[N+](=O)[O-] 460450650 NZTUBGJENQGZSW-FQEVSTJZSA-N 449.532 4.321 5 20 IIBD Cc1ccsc1-c1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCO1 461070807 VPJIIQDSBVVRKK-GOSISDBHSA-N 427.530 4.081 5 20 IIBD CN(C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1nc2ccccc2n1C 461305684 YIUZQTSKNLHRPK-UHFFFAOYSA-N 445.266 4.251 5 20 IIBD Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)cc2)n1 461574565 USMXARSUPMRTMC-QGZVFWFLSA-N 430.468 4.074 5 20 IIBD O=C1Nc2cc(Cl)ccc2S[C@H]1CC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 461711896 ZABQFTIZCDHCBM-LPHOPBHVSA-N 449.941 4.325 5 20 IIBD CN(c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)C1CCN(CCc2ccccn2)CC1 462495201 JXZHVEHZHURPFU-UHFFFAOYSA-N 447.539 4.107 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H]1CCO[C@H](c2ccccc2)C1 462917575 VTBDDEIFFARZEB-APWZRJJASA-N 437.418 4.452 5 20 IIBD O=C(Cc1ccc(F)c(Br)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464666428 SOCAALPMPNWSNH-UHFFFAOYSA-N 437.265 4.109 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cn(Cc2cccc(F)c2)nn1 468836653 FIJVBVILKRMDFS-UHFFFAOYSA-N 433.399 4.418 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccccc1O[C@@H]1CCOC1 470779122 LMKLKKATLCKTBJ-CQSZACIVSA-N 439.390 4.222 5 20 IIBD CCOc1cc(C(=O)Nc2cc(Cl)ccc2O[C@H](C)COC)c([N+](=O)[O-])cc1OC 471176787 HVPUIDATPCCBSZ-GFCCVEGCSA-N 438.864 4.322 5 20 IIBD CC(=O)CC(C)(C)CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 472661700 WNAAGAPTXWMBSD-UHFFFAOYSA-N 447.513 4.038 5 20 IIBD C[C@@H]1[C@@H](n2c(SCc3c([N+](=O)[O-])ncn3C)nc3ccccc3c2=O)CCC[C@H]1C 476478930 BVOXMOFOHXRYFK-KEYYUXOJSA-N 427.530 4.328 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)C(=O)N1Cc2ccccc2C1 477512960 BBBRGULDGQSXQA-INIZCTEOSA-N 447.516 4.407 5 20 IIBD O=C(NCC(=O)N1CCC(c2cccc(Cl)c2)CC1)c1c(Cl)cccc1[N+](=O)[O-] 478234563 VTTBRUXETJWXAN-UHFFFAOYSA-N 436.295 4.038 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 479778398 XCOPRYXZYIKDGV-UHFFFAOYSA-N 436.390 4.040 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1 481857821 KKDPJVCHGMXAMH-UHFFFAOYSA-N 428.854 4.015 5 20 IIBD CCOC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)c1cccc(SC)c1[N+](=O)[O-] 486577638 UDJVBSPPXMXGHU-LJQANCHMSA-N 438.505 4.374 5 20 IIBD O=[N+]([O-])c1cc(CNCc2cn(-c3ccc(F)c(Cl)c3)nn2)cc(C(F)(F)F)c1 487177964 FHRUCZCBZRPLGI-UHFFFAOYSA-N 429.761 4.277 5 20 IIBD CC[C@@H]1Oc2cc([C@@H](C)NC(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)ccc2NC1=O 489442138 UPFHKEVZRXSMBO-LPMFXHHGSA-N 426.473 4.134 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@H](c4nc5c(s4)CCCC5)C3)n2)c1 490021064 UFCIPDGKBCMSQO-HNNXBMFYSA-N 425.514 4.360 5 20 IIBD O=C(Nc1nnc(/C=C/c2ccco2)s1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 490363953 HWWWHCFMKJEJFC-GQCTYLIASA-N 440.359 4.403 5 20 IIBD Cc1ccc(-n2nc(C(=O)Nc3cc(-c4cccc([N+](=O)[O-])c4)[nH]n3)c3c2CCC3)cc1 499045311 OYDYDZYPIBMMDJ-UHFFFAOYSA-N 428.452 4.220 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CN3CCC[C@@H](c4nnc5n4CCCCC5)C3)cs2)c1 506631447 IZIKHQYCFAPWTI-QGZVFWFLSA-N 438.557 4.416 5 20 IIBD COc1ccccc1Oc1ccc(NC(=O)C(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1 506725736 QONMKWDHSBPBOO-UHFFFAOYSA-N 449.463 4.035 5 20 IIBD COc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cc1 507314173 ZLUABTJOLOGJBH-UHFFFAOYSA-N 442.493 4.003 5 20 IIBD COc1ccc(CSc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)cc1Br 507633946 GKKGQTIFCJKVJM-UHFFFAOYSA-N 432.317 4.062 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@@H](c1c(F)cccc1F)C(F)(F)F 508078217 HTZUDDRWDHRUSD-SFHVURJKSA-N 441.312 4.220 5 20 IIBD CCSc1ccc([C@@H](C)NC(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 508560175 IVMVHHAZJKIEMY-CQSZACIVSA-N 433.530 4.327 5 20 IIBD CCS[C@H]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(I)c2C)C1 510070800 KKJVZEQCXZYSMX-AAEUAGOBSA-N 448.326 4.254 5 20 IIBD C[C@H](NC(=O)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1)c1cccc([N+](=O)[O-])c1 510497114 TZQFPTWRGBEQBD-KRWDZBQOSA-N 449.511 4.275 5 20 IIBD O=C(c1ccc(Cl)cc1)N1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 511621644 GSHHHFOOMALSOH-UHFFFAOYSA-N 439.846 4.198 5 20 IIBD CSc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C)c(C)c2)cc1[N+](=O)[O-] 518833260 HZYPJBNUMYDKKL-QGZVFWFLSA-N 431.539 4.087 5 20 IIBD O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CC[C@@H](n2cc(Cl)cn2)C1 519736957 XKWFFWVDHNWFHW-QGZVFWFLSA-N 426.860 4.111 5 20 IIBD O=C(Nc1cccc(COC2CCCCC2)c1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 520049618 BBRLRSJUIRZUNR-UHFFFAOYSA-N 439.516 4.193 5 20 IIBD COc1cc(OCC(=O)Nc2cccc(Cl)c2Oc2cccnc2)ccc1[N+](=O)[O-] 520590974 NBLYREXLXHLZAO-UHFFFAOYSA-N 429.816 4.462 5 20 IIBD COc1ccc(Cl)cc1C1(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCOCC1 522884962 CJINLRUEKMLFBN-UHFFFAOYSA-N 439.295 4.388 5 20 IIBD COc1cccc(NC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)CC2)c1 523563211 VHMQCPQHBHJIGU-UHFFFAOYSA-N 434.290 4.083 5 20 IIBD COc1cc(C(=O)Nc2cc(C)nn2-c2cccc(Br)c2)ccc1[N+](=O)[O-] 523704779 WVAVYZUGODZXJR-UHFFFAOYSA-N 431.246 4.112 5 20 IIBD Cn1ccnc1[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 523877205 MUYBUIDOZZBPJQ-LJQANCHMSA-N 449.294 4.310 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Nc2cccc3c2CN([C@@H](C)C(C)C)C3)c([N+](=O)[O-])c1 524323029 HQUGPBNMEKGHMW-CVEARBPZSA-N 426.517 4.403 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccccc2OCCOc2ccccc2)cc([N+](=O)[O-])c1 524569889 DDMSGUPUXPSXGB-UHFFFAOYSA-N 436.420 4.092 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC(OCC2CCCCC2)CC1 530791844 PTHYHGKUFYCTFB-UHFFFAOYSA-N 439.350 4.488 5 20 IIBD Cc1ccccc1O[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 533461930 LNLXUOVSERDNEX-PKOBYXMFSA-N 431.876 4.002 5 20 IIBD O=C(Nc1cccc2c1CN(c1nccs1)C2)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 534006534 UXJPCFNMGLSEMM-UHFFFAOYSA-N 432.465 4.010 5 20 IIBD O=C(NC[C@H]1CCCO1)c1cccc(CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)c1 534145988 GIBMKSUEUJGGFS-HXUWFJFHSA-N 432.480 4.178 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H]1Cn1cnc2ccccc21 534459738 OZZCNJIQKCXPNF-OAHLLOKOSA-N 429.274 4.012 5 20 IIBD O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)c1cc2c(cc1[N+](=O)[O-])OCCO2 534732175 PZWWDKIJMRRFTF-UHFFFAOYSA-N 445.884 4.115 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccnn1Cc1ccc(Cl)c(F)c1 536184591 DNQYZVWHJQMDBI-UHFFFAOYSA-N 427.823 4.295 5 20 IIBD O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CCCc2c(F)cc(F)cc21 536583001 YWNQYUXVTZVGQK-UHFFFAOYSA-N 444.175 4.071 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2ncccc2-c2ccccc2)cc1[N+](=O)[O-] 538952075 ZHGPRKOTPLKYPL-UHFFFAOYSA-N 432.465 4.189 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccc(-c3nc4ccccc4s3)o2)CC1 539816952 JWEZVOVQNNYZPN-UHFFFAOYSA-N 448.504 4.423 5 20 IIBD COc1ccc(CC(=O)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)cc1[N+](=O)[O-] 540912913 YZLYOVIMDIDUJN-INIZCTEOSA-N 434.317 4.167 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@@H](c2oc3ccccc3c2C)C(C)C)cc1[N+](=O)[O-] 542105090 BVDSNTQSLOMKHU-LJQANCHMSA-N 425.441 4.110 5 20 IIBD COC(=O)CSCc1cccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1 544072927 GNHVTYXRIIZFCW-UHFFFAOYSA-N 440.930 4.385 5 20 IIBD COc1ccccc1C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCC1 545430866 XSOCOJJJOKUSQY-UHFFFAOYSA-N 433.302 4.147 5 20 IIBD Cc1cc(Cc2noc(CSc3nnc(C)n3Cc3ccccc3)n2)ccc1[N+](=O)[O-] 545852042 KSOSEBVWPWTCIE-UHFFFAOYSA-N 436.497 4.118 5 20 IIBD O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCC[C@@H]1c1ccccc1 551720411 ADVBIRZPBUEYOT-QZTJIDSGSA-N 446.301 4.138 5 20 IIBD CC(C)n1ncc2c(C(=O)O)cc(/C=C/c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)nc21 554390544 UNGUGRCCHHDSEM-QPJJXVBHSA-N 432.440 4.190 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N(C(C)=O)[C@@H]2C[C@@H]2C)cc1 554659713 HJQPUOAGTHCHAU-VBKZILBWSA-N 443.525 4.347 5 20 IIBD O=[N+]([O-])c1ccccc1OCCNC1(c2cccc(OC(F)(F)F)c2)CCOCC1 569312446 JPUCWGMPDJJCET-UHFFFAOYSA-N 426.391 4.168 5 20 IIBD COc1cccc([C@@H]2[C@@H](NCCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCN2C2CC2)c1 570988015 HWNDEOLLKMAHBB-WIOPSUGQSA-N 448.523 4.369 5 20 IIBD Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N(C)c3ccc([N+](=O)[O-])nc3)cc12 579997972 IDWYHXLITKVDLU-UHFFFAOYSA-N 425.445 4.173 5 20 IIBD O=[N+]([O-])c1ccn(C2CCN(Cc3cc(Br)cc(Br)c3)CC2)n1 584021126 HORRIHAPEABQDK-UHFFFAOYSA-N 444.127 4.153 5 20 IIBD Cc1nc(COc2ccc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)cc2)no1 590613470 TZQIFUDFAXHXPF-UHFFFAOYSA-N 437.437 4.241 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)cc([N+](=O)[O-])c1 602228313 FHYNLVVYCVQGDI-UHFFFAOYSA-N 447.419 4.349 5 20 IIBD COc1ccc(CSCC(=O)NCC2(N3CCCCC3)CCCCC2)cc1[N+](=O)[O-] 603565407 VIPUJDAMEKPPEO-UHFFFAOYSA-N 435.590 4.142 5 20 IIBD COc1cc([C@H](C)NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OC1CCCC1 603719205 PBDLEPMDDNTXOZ-HNNXBMFYSA-N 441.484 4.049 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 604079956 HCEBBSBXAFRIGB-CQSZACIVSA-N 433.306 4.314 5 20 IIBD O=C(Nc1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1Cl)c1ccco1 604119872 QORCFTYLNZJDLL-UHFFFAOYSA-N 429.772 4.075 5 20 IIBD CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 604431064 NINGQKMQZBQCKB-HXUWFJFHSA-N 440.496 4.193 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1nc2cc3c(cc2s1)OCCO3 604446718 CEDWXRRDYHPBDZ-SECBINFHSA-N 435.845 4.035 5 20 IIBD COc1cc(CCNC(=O)c2cnc(-c3ccc(C)cc3C)s2)c([N+](=O)[O-])cc1OC 604509640 UCFPYJQXENFZLW-UHFFFAOYSA-N 441.509 4.325 5 20 IIBD O=C(N[C@@H]1C[C@@H]1c1cccc(Br)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 608809471 JHTMMRQOLVCMRS-QZTJIDSGSA-N 444.329 4.246 5 20 IIBD O=C(Nc1ccnn1Cc1cccc(Br)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 608962063 SFOYELAQLYYHKE-UHFFFAOYSA-N 440.257 4.336 5 20 IIBD COc1ccccc1[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 609387821 SDFJBYTVGIAALH-FQEVSTJZSA-N 432.885 4.325 5 20 IIBD Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)C1 609550836 CWVWGLQTRDDJKN-AWEZNQCLSA-N 440.887 4.067 5 20 IIBD O=C(Nc1ccccc1)c1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1Cl 609658217 XXJWIPDMTXTLPK-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cccc(C[S@](=O)Cc2ccccc2)c1 609697839 DMYOAHACJCLVFI-WJOKGBTCSA-N 438.505 4.451 5 20 IIBD O=C(NCc1n[nH]cc1Br)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609772684 CJJXBQBBLCFPBN-UHFFFAOYSA-N 432.234 4.194 5 20 IIBD COc1cc(CN2CCC([C@H]3CCOC3)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 612402066 BPMCDUGPBUHERY-NRFANRHFSA-N 426.513 4.431 5 20 IIBD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCCNc2ncc(C(F)(F)F)cc2Cl)n1 618571619 ZTUMAOGMVDZLMC-UONOGXRCSA-N 432.834 4.044 5 20 IIBD CCOC(=O)c1cc(-c2ccccc2)ccc1NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C 726504930 LBQVHCLCUUCELH-UHFFFAOYSA-N 436.468 4.281 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)cn1 727339056 KZHKBBXVGAMRDN-UHFFFAOYSA-N 437.250 4.352 5 20 IIBD O=C(N[C@H]1CCSc2ccccc21)c1ccc(I)c([N+](=O)[O-])c1 727748915 PAWWXTBPUFMJIT-ZDUSSCGKSA-N 440.262 4.166 5 20 IIBD COc1ccc(CC(=O)OCc2csc(-c3cccc(OC)c3OC)n2)cc1[N+](=O)[O-] 727882856 NKAYVPCWXCTIMP-UHFFFAOYSA-N 444.465 4.030 5 20 IIBD O=C(Nc1ccc(Oc2ccc(Cl)nn2)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 733245309 YOUFSFCXHGGOSJ-UHFFFAOYSA-N 436.815 4.269 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c1 733402253 AULKYPGAYYTDMO-INIZCTEOSA-N 440.399 4.298 5 20 IIBD O=C(COC(=O)c1cc(Br)sc1Br)c1cccc([N+](=O)[O-])c1 735158959 VBJITJGHOYDQMJ-UHFFFAOYSA-N 449.076 4.221 5 20 IIBD Cc1oc(-c2ccccc2F)nc1C(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 739169055 DPONQBJLSLCXRK-UHFFFAOYSA-N 440.431 4.166 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2sccc2-c2ccc(F)cc2)CC1 740790416 JHHMUQHLRFIBGY-UHFFFAOYSA-N 439.468 4.061 5 20 IIBD Cc1sc(NC(=O)c2cc(N3CCOC3=O)ccc2F)nc1-c1cccc([N+](=O)[O-])c1 741545972 YWQIVCGHCHSXCN-UHFFFAOYSA-N 442.428 4.375 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(Cl)cc1[C@H](O)c1ccccc1 741753551 DRJLMUDDQPHRPC-JOCHJYFZSA-N 441.871 4.389 5 20 IIBD Cc1cc([C@@](C)(O)CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c(C)o1 743508294 NMVSVYWVPAAWOP-WNSKOXEYSA-N 438.484 4.010 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2cncc(Br)c2)c(Cc2ccccc2)c1 744237948 CJOUBJQNSSKCEH-UHFFFAOYSA-N 449.282 4.111 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(=O)NCc1ccccc1Cl 744554910 YBOWXHWHBRJYHP-HNNXBMFYSA-N 445.903 4.100 5 20 IIBD C[C@@H](c1cc2ccccc2o1)N(C)C(=O)COC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 744614679 MLCBUZVMWBTTPI-HNNXBMFYSA-N 435.436 4.059 5 20 IIBD C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NCc1ccc(Cl)cc1 745568175 KYYZUHGYDXJBHV-JTQLQIEISA-N 430.766 4.129 5 20 IIBD CN(C(=O)CN1CCCN(C(=O)OC(C)(C)C)c2ccccc21)c1ccc([N+](=O)[O-])cc1 746469654 PCDXEOQTQDFYBC-UHFFFAOYSA-N 440.500 4.209 5 20 IIBD O=C(CSCc1cscn1)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 746781201 MJOWNCWQUOSMMX-UHFFFAOYSA-N 429.479 4.142 5 20 IIBD COC(=O)c1ccc([C@H](OC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C(F)(F)F)cc1 747208636 CHJZOEYORWAWJE-KRWDZBQOSA-N 449.341 4.028 5 20 IIBD O=C(Nc1ncn(Cc2ccc(Cl)cc2)n1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 748684599 IPSIWYOEIUWFLG-UHFFFAOYSA-N 440.891 4.131 5 20 IIBD Cc1c(C(=O)O[C@H](C)C(=O)N2CCC[C@H]2c2cccs2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748946904 JXYKYWBNCDZRFK-HIFRSBDPSA-N 447.469 4.090 5 20 IIBD O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)c1cccc(Cl)c1[N+](=O)[O-] 750002332 YBBOGXXLPMQRRT-UHFFFAOYSA-N 438.311 4.175 5 20 IIBD COc1cc(COC(=O)c2ccc(Br)cc2[N+](=O)[O-])ccc1OC(F)F 750816955 FAPUBOLCUMRTTC-UHFFFAOYSA-N 432.173 4.324 5 20 IIBD COCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1Cl 751097379 XNDHZJZEVNSFIA-UHFFFAOYSA-N 429.654 4.288 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])c(Br)cc2F)c(F)c1 751693193 UVXFAWCYJLESDL-VIFPVBQESA-N 443.200 4.128 5 20 IIBD COc1ccc(Cn2nccc2NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1 754994948 AWZWEMZZAKNFPO-UHFFFAOYSA-N 449.236 4.002 5 20 IIBD C[C@H](C(=O)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1F 755473113 SQCWJRGZZFUOTM-BTDLBPIBSA-N 434.773 4.057 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C(=O)Nc1ccccc1Oc1ccccc1 758094148 YTEYLWSLYKAQJL-ZDUSSCGKSA-N 439.399 4.292 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cnc(Cl)c(Br)c2C)cc1OC 759281209 PLFAJWAFHZWWAC-UHFFFAOYSA-N 444.669 4.374 5 20 IIBD CC(C)(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 760366215 VKGSHPUTIFBIQG-UHFFFAOYSA-N 441.303 4.387 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCC(C4(C)OCCO4)CC3)c([N+](=O)[O-])c2)cc1 760471209 SNCZOHWUZUJFLB-UHFFFAOYSA-N 425.485 4.135 5 20 IIBD COc1ccc(CSCC(=O)OCC(=O)c2cc(C)c(F)cc2Cl)cc1[N+](=O)[O-] 761069142 VAQVOXNYNQINOJ-UHFFFAOYSA-N 441.864 4.364 5 20 IIBD C[C@H](C(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1cccc([N+](=O)[O-])c1 761446184 QBVDABWHHBWJBK-HNNXBMFYSA-N 438.509 4.297 5 20 IIBD CN(C)C(=O)N1CCC(c2nc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)no2)CC1 761859365 VJQDIIIKUFVOCC-UHFFFAOYSA-N 437.456 4.298 5 20 IIBD COC(=O)c1cc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc(Br)c1F 762505356 RJQJOYVHZCQQFO-UHFFFAOYSA-N 447.163 4.014 5 20 IIBD O=C(OCc1ccc(Oc2ccccc2)nn1)c1cc([N+](=O)[O-])c(Br)cc1F 766117431 GEOZIBKSVIPMGH-UHFFFAOYSA-N 448.204 4.436 5 20 IIBD COc1cc(COC(=O)Cc2c[nH]c3cccc(Br)c23)c([N+](=O)[O-])cc1F 766214249 UOLAYTFORGKPLM-UHFFFAOYSA-N 437.221 4.272 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)N[C@@H](C)c1cc2ccccc2o1 766230902 OPUPTAOWNDOENI-KBPBESRZSA-N 433.420 4.312 5 20 IIBD CN(C)c1ccc(N(Cc2ccc3ccccc3n2)C(=O)c2cc([N+](=O)[O-])cn2C)cc1 766595014 PZGHHMIABQIKAL-UHFFFAOYSA-N 429.480 4.395 5 20 IIBD CCOC(=O)C[C@H](OC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccc(F)c(F)c1 766951926 IHXPONIIDCUHPL-ZMZPIMSZSA-N 425.359 4.353 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])OCc1ccc(-c2cccs2)cc1 768700004 PJUFHWQHIMETGL-UHFFFAOYSA-N 430.869 4.450 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 773371019 UFKBJLYXNDRYEF-MRXNPFEDSA-N 449.573 4.325 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)c1 773393870 LATMYFHNVFMNST-UHFFFAOYSA-N 439.218 4.086 5 20 IIBD COc1cccc([C@H]2[C@@H](C(=O)OCc3cc(Cl)ccc3[N+](=O)[O-])CC(=O)N2C2CC2)c1 776452694 BKNWBXOKQHUHKZ-RXVVDRJESA-N 444.871 4.052 5 20 IIBD Cc1cc(NC(=O)c2ccc(C(=O)Nc3ccc([N+](=O)[O-])c(C)c3)nc2)ccc1[N+](=O)[O-] 777130484 TZAZOVCYENMGEY-UHFFFAOYSA-N 435.396 4.019 5 20 IIBD O=C(Nc1ccc(N2CCC(O)CC2)cc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 780883671 KQWWLSOONGBAFR-UHFFFAOYSA-N 449.457 4.173 5 20 IIBD C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781794362 WIFVFIRUHMSEFF-GFCCVEGCSA-N 448.273 4.172 5 20 IIBD C[C@H]1CCN(CCOc2ccc(NC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])cc2)C1 790822089 NMCFAOVXYMWMKD-AWEZNQCLSA-N 435.883 4.289 5 20 IIBD CC(C)(C)n1cc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2OCc2ccccc2)nn1 792525267 TUZDOAXHPMNAEV-UHFFFAOYSA-N 429.864 4.426 5 20 IIBD CN(Cc1ccc(Br)cc1)C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 792960331 WQSLYWWWESFLSB-UHFFFAOYSA-N 448.317 4.252 5 20 IIBD O=C(OCc1ccc(Cl)cc1-n1cncn1)c1sc(Br)cc1[N+](=O)[O-] 795628364 BHGCQBYOSSGDGG-UHFFFAOYSA-N 443.666 4.010 5 20 IIBD COc1cc([N+](=O)[O-])ccc1COC(=O)c1cc(C)nc2c1cnn2Cc1cccs1 797470737 PYCLCXNGVYRSJB-UHFFFAOYSA-N 438.465 4.123 5 20 IIBD O=[N+]([O-])c1cc(F)c(S(=O)(=O)Nc2ccc(F)cc2Br)cc1Cl 798247767 VZKORAXTIBHOKK-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCCC3(CCN(C)CC3)C2)cc1[N+](=O)[O-])c1ccccn1 799028288 IBNBFBZJLWQAKB-SFHVURJKSA-N 437.544 4.111 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC(N2CCc3ccccc32)CC1 800553324 LRMYVCZSTXEFRM-UHFFFAOYSA-N 445.317 4.416 5 20 IIBD CCN(CC)Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 801428395 YAIKKGYAWSCFAK-CQSZACIVSA-N 433.892 4.274 5 20 IIBD COCCC[C@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)c1ccc(Cl)cc1 804126691 PFUVBFYBVMCIFX-OAHLLOKOSA-N 435.864 4.405 5 20 IIBD O=C(NC[C@@H](NCc1ccccc1)c1ccco1)c1cc([N+](=O)[O-])ccc1N1CCCC1 804275062 VBGKSPQSNKPCPI-OAQYLSRUSA-N 434.496 4.049 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H]2COC(=O)NC2CCCCC2)cc1[N+](=O)[O-] 805172907 RZLGYGAVCAWAFG-VQIMIIECSA-N 432.521 4.197 5 20 IIBD O=C(NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F)Nc1cccc([N+](=O)[O-])c1Cl 809913553 NNGYXNUQHCNBRD-OAHLLOKOSA-N 438.189 4.473 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CC[C@H](Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)CC1 809957043 RHHIERJSKUBTRS-QAQDUYKDSA-N 442.516 4.150 5 20 IIBD O=C(COC(=O)c1ccccc1OCc1cscn1)Nc1ccc([N+](=O)[O-])cc1Cl 811855053 KOKMWTFAEXSSKX-UHFFFAOYSA-N 447.856 4.079 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ccc(N2CCCNC2=O)cc1 813243082 VGODTFGYJDGYLU-QGZVFWFLSA-N 439.516 4.196 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 813291779 CIOQNAYWPDQUHI-UHFFFAOYSA-N 439.921 4.140 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(N2CCCOC2=O)cc1 817289726 BYHIPHAKOYCDMN-GFCCVEGCSA-N 435.383 4.034 5 20 IIBD CCc1cc2oc(=O)cc(COC(=O)CCOc3cccc([N+](=O)[O-])c3)c2cc1Cl 915450346 DXQPCAVWFLCOMA-UHFFFAOYSA-N 431.828 4.429 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccc(Cl)c(Cl)c1 917332043 XQOSLEQYVFXRLO-SNVBAGLBSA-N 436.251 4.417 5 20 IIBD Cc1sc(NC(=O)Cn2ccc([N+](=O)[O-])n2)c(C(=O)OC(C)C)c1-c1ccccc1 917641662 BOZUJSAXPHHOON-UHFFFAOYSA-N 428.470 4.032 5 20 IIBD CCC(CC)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1cccs1 917870015 GUWJWBYGHODLFG-VLIAUNLRSA-N 433.505 4.442 5 20 IIBD Cc1csc2nc(COC(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)cc(=O)n12 917949939 YEVTWPKWILPVGR-UHFFFAOYSA-N 437.433 4.122 5 20 IIBD C[C@H](OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1nc2ccccc2n1C(F)F 921275639 BLCNAKYITXUVQR-LBPRGKRZSA-N 427.367 4.443 5 20 IIBD Cc1cc(=NCc2ccccc2CNC(=O)OC(C)(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 1115938576 MJESOWBLNGDZLM-UHFFFAOYSA-N 449.511 4.419 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC(c2nc3ccccc3o2)CC1 1116242791 DFEUIRVJUWGKMJ-UHFFFAOYSA-N 444.285 4.447 5 20 IIBD Nc1c(C(=O)NCCc2csc(-c3ccccc3)n2)cc(Br)cc1[N+](=O)[O-] 1116937599 FIVOQHGSMPGDRB-UHFFFAOYSA-N 447.314 4.036 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 1117734049 VIBICERDEVESLZ-NOTZXAQLSA-N 436.556 4.364 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)/C=C\c2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])c1 1317745431 HSHDHDNTZDGSKN-ZTYXWKCZSA-N 439.251 4.494 5 20 IIBD COC(=O)c1cc(NC(=O)c2cccc(COc3cccc(C=O)c3)c2)cc([N+](=O)[O-])c1 1318962624 JFXRNDDWTKYOQY-UHFFFAOYSA-N 434.404 4.025 5 20 IIBD COC(=O)c1ccc(COc2ccc(CN3Cc4ccc([N+](=O)[O-])cc4C3)cc2OC)o1 1320407502 JFEOADIOUFIYGH-UHFFFAOYSA-N 438.436 4.078 5 20 IIBD CC(C)c1oc(-c2ccccc2)nc1C(=O)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 1337841972 DFNSVEFRSVDSIV-UHFFFAOYSA-N 435.436 4.119 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([C@H]2C(=O)Nc3ccccc32)CC1 1338290922 VPKXSNCGLNBVPK-VBKZILBWSA-N 425.510 4.050 5 20 IIBD CC[C@H](C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1)N(CC)CC 1786447986 UWPYPZFQZIJSFX-GOSISDBHSA-N 442.516 4.056 5 20 IIBD Cc1ncoc1C(=O)Nc1ccc(C2(NC(=O)CCc3cccc([N+](=O)[O-])c3)CCC2)cc1 1787474210 SUSYSCSJBFFKGU-UHFFFAOYSA-N 448.479 4.272 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cccc([N+](=O)[O-])c1)c1cccc2ccccc12 1792475428 YBTCVSKFJCXSRI-WKCHPHFGSA-N 443.503 4.243 5 20 IIBD CC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4cc([N+](=O)[O-])ccc4s2)C3)CCC1 1792510608 FZOWRWIBJJIZKB-MUJYYYPQSA-N 427.526 4.252 5 20 IIBD CCC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2(c4cccc([N+](=O)[O-])c4)CCC2)C3)CCC1 1797909619 GNURMOHNTQFUHD-ACDBMABISA-N 439.556 4.235 5 20 IIBD Cc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2csc(C)c2C)C3)cc1[N+](=O)[O-] 1800137269 IQORJUURAIDBSN-REPLKXPHSA-N 441.553 4.076 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC2(CCCN(C(=O)c3cccs3)C2)CC1 1808073989 FSYVUHMZYJSPKL-CMDGGOBGSA-N 439.537 4.215 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(C)CCC2)n[nH]1 1814403467 LDMMHJLHQUQSKK-QGZVFWFLSA-N 443.479 4.262 5 20 IIBD Cc1ccc(C)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)[nH]n2)c1 1823141809 VUGBQBROPWUMTL-KRWDZBQOSA-N 437.456 4.147 5 20 IIBD Cc1ccoc1C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1824276668 OXLGUOCXWUGBOF-WSSFADSRSA-N 441.484 4.036 5 20 IIBD O=C(C1=CCCC1)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 1831290845 ILXVLDZLWNUSPQ-JOCHJYFZSA-N 443.519 4.006 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CC3(CCCN3C(=O)c3cccc(F)c3[N+](=O)[O-])C2)s1 1845405342 BLEKYBJDPZMLCY-UHFFFAOYSA-N 445.516 4.224 5 20 IIBD CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)nc2ccccc21 8807596 OXZIBOHINAGDQY-UHFFFAOYSA-N 435.303 4.458 5 20 IIBD C[C@H](OC(=O)c1ccc2ccccc2n1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 10664469 WISZZRQQMYYIKT-NSHDSACASA-N 433.342 4.346 5 20 IIBD COc1cccc([C@H]2CCCN2C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c1 11547486 LRFNNXYJOIRJHI-JOCHJYFZSA-N 434.496 4.442 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)c1cc(SC)ccc1[N+](=O)[O-] 16197202 KDSWFFYSZMKKMM-NSHDSACASA-N 438.889 4.471 5 20 IIBD Cc1cccc(-c2nc(CC(=O)O[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)cs2)c1 17229608 PUJKWQSLOHILIB-CQSZACIVSA-N 425.466 4.140 5 20 IIBD COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2ccc([N+](=O)[O-])cc2)c1 108531639 GDWSZVQNPJDXIL-UHFFFAOYSA-N 442.475 4.445 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 237026056 AYHUIYPHSXTNBN-UHFFFAOYSA-N 443.525 4.175 5 20 IIBD COc1ccccc1CC(=O)N1CCC(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 237129427 WSHSQQOJYCYQGB-UHFFFAOYSA-N 449.507 4.187 5 20 IIBD C[C@@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCN(c2ccccc2)CC1 237432043 ONOBUTLCHUYLFR-SFHVURJKSA-N 437.569 4.019 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)c([N+](=O)[O-])c2)c(C)c1 301377180 WKOJEBVPEJGWLJ-DQLDELGASA-N 445.541 4.238 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(c1nc(-c3cnccn3)nc3sc4c(c13)CCCC4)CC2 301571950 OVTJLCKJOBLEIH-UHFFFAOYSA-N 444.520 4.498 5 20 IIBD O=c1c(Br)cn(-c2ncnc3sc(-c4ccccc4)cc23)cc1[N+](=O)[O-] 301660009 JBGYVIMWXNQQKP-UHFFFAOYSA-N 429.255 4.180 5 20 IIBD COc1ccc([C@H](C)NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1Br 302944837 BPAZWXGFWOZFIK-LBPRGKRZSA-N 445.273 4.043 5 20 IIBD Cc1ccc(CN2CCOCC2)cc1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 303730094 DLNFVEFQIIIGMF-UHFFFAOYSA-N 438.509 4.111 5 20 IIBD C[C@H]1CCCN(Cc2ccccc2CNC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 427905997 OZNPWAGAQJTRIU-SFHVURJKSA-N 448.523 4.070 5 20 IIBD CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 432338730 XVYAVDXIZWCPNQ-ZSEKCTLFSA-N 429.860 4.068 5 20 IIBD COc1cccc([C@@H](NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c2cc(F)ccc2OC)c1 434027113 JEIPYIKYCHPMKD-LJQANCHMSA-N 442.447 4.117 5 20 IIBD Cn1c(COc2ccc(Cl)cc2)nnc1SCc1nc2cc([N+](=O)[O-])ccc2o1 434804359 SIVILTWPPAFFSO-UHFFFAOYSA-N 431.861 4.389 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 436353700 NKGIMLMMSMSIAV-HXUWFJFHSA-N 438.405 4.312 5 20 IIBD O=C(Nc1ccccc1)NC1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 437925094 HHCAEMIUIIEHBZ-UHFFFAOYSA-N 436.390 4.040 5 20 IIBD CC(=O)N1CCCc2cc(NS(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])ccc21 438775930 USTOBWOSFCMVCY-UHFFFAOYSA-N 444.296 4.002 5 20 IIBD O=C(Cc1ccccc1[N+](=O)[O-])N(C[C@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F 440437832 CVQIFBCFKOZNAM-SFHVURJKSA-N 435.446 4.050 5 20 IIBD O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCO[C@@H](COCC2CC2)C1 442740019 DDYYHZDJBQNJJB-QGZVFWFLSA-N 428.510 4.014 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCC(CCCn2ccnc2)CC1 444300571 ICVPTJUTJIBNJA-UHFFFAOYSA-N 432.499 4.350 5 20 IIBD Cc1cc2sc(C(=O)N3CCN(C(=O)c4ccc([N+](=O)[O-])s4)CC3)c(C)c2cc1C 445209154 KKGLAMKYRITSIS-UHFFFAOYSA-N 443.550 4.394 5 20 IIBD CC1CCN(c2ccc(-c3nc(-c4cccc(N5CCNC5=O)c4)no3)cc2[N+](=O)[O-])CC1 445292806 CMASLGWBINPYEW-UHFFFAOYSA-N 448.483 4.078 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCc3ccc(OC(F)F)cn3)cc2[N+](=O)[O-])C1 446575072 HVWWEOOPFFQVCL-KBPBESRZSA-N 434.443 4.004 5 20 IIBD CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc1 463973703 ZXFNVMKIEZLTBP-QGZVFWFLSA-N 442.516 4.389 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 464684136 DHASEDWGCBRYOB-UHFFFAOYSA-N 435.521 4.321 5 20 IIBD COc1cc(CCNC(=O)N(C)[C@@H]2CCC[C@H]2c2ccc(C)cc2)c([N+](=O)[O-])cc1OC 465602265 RLPWEZDKRZVITG-VQTJNVASSA-N 441.528 4.441 5 20 IIBD O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465716930 HFFAWXRHECAICU-XXBNENTESA-N 439.512 4.316 5 20 IIBD O=C(C[C@@H]1CCCCCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1cccs1 467064070 LGBFCCXDXXOZKR-KRWDZBQOSA-N 436.555 4.046 5 20 IIBD COCCN(Cc1ccc(F)cc1Cl)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl 467215798 UMKDAXCSXPLQHP-UHFFFAOYSA-N 430.263 4.399 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC(c2cccc3ccccc23)CC1 469157855 ZCZHLVSLXZDOBB-OAQYLSRUSA-N 435.528 4.387 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 470133305 AVEAOZHKBCELSS-INIZCTEOSA-N 442.216 4.241 5 20 IIBD Cc1ccc(-c2cnc(NC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)s2)c(C)c1 470341719 FLVMIWPIEKPABF-UHFFFAOYSA-N 438.509 4.424 5 20 IIBD O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)Nc1cc(F)cc([N+](=O)[O-])c1 470695639 YPMLYMOEDLZHKB-UHFFFAOYSA-N 439.428 4.305 5 20 IIBD CC[C@H](Cc1ccccc1Br)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 470737880 RBGRRYCQNVNEIN-CYBMUJFWSA-N 437.290 4.126 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(C)cc2-c2nc(C3CC3)no2)cc([N+](=O)[O-])c1 471615454 SXPSYYBJWISHTC-UHFFFAOYSA-N 436.424 4.260 5 20 IIBD CCOc1cc(N2CCN(Cc3ccc(OCc4ccncc4)cc3)CC2)ccc1[N+](=O)[O-] 475488760 WTZYZYAVMAMIEG-UHFFFAOYSA-N 448.523 4.290 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1nc(-c2cccc(Cl)c2)cs1 476940531 SYTZZTPTRNMEOR-NSHDSACASA-N 430.873 4.129 5 20 IIBD CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C[C@@]2(CCCOC2)O1 482839720 UJWKRIFCTPLLKJ-XMMPIXPASA-N 439.512 4.007 5 20 IIBD O=[N+]([O-])c1ccc(OCCN[C@@H](CO)c2ccc(Br)cc2C(F)(F)F)cc1 483236812 OHFSOUIQLQWZAT-INIZCTEOSA-N 449.223 4.078 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)cc1SC 483349955 KDVRGIAIUZRMKW-INIZCTEOSA-N 428.470 4.305 5 20 IIBD COc1ccccc1-c1nc(C2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)no1 483618740 QTJOJZNVOGYGOG-UHFFFAOYSA-N 437.456 4.373 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(NC(=O)c2ccsc2)CC1 484095575 IHPCOPQOHGKJAJ-UHFFFAOYSA-N 447.582 4.439 5 20 IIBD Cc1ccnc(-c2n[nH]c([C@H](C)Nc3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])n2)c1 486480678 HNNOHZFDKSEAKP-HNNXBMFYSA-N 428.452 4.487 5 20 IIBD CCOc1cn(-c2ccccc2)nc1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 486683099 IZQAYRIXYRJCBN-UHFFFAOYSA-N 434.374 4.128 5 20 IIBD Cc1ccc(N(C)C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCC(C)C)CC2)nn1 486777025 YFKMTCSRCJQEEQ-UHFFFAOYSA-N 443.573 4.182 5 20 IIBD Cc1ccc([C@H](C)NC(=O)c2ccccc2SCC(=O)N2CCCC2)cc1[N+](=O)[O-] 488094936 QIDUWYXOFMRGRR-INIZCTEOSA-N 427.526 4.109 5 20 IIBD COc1c(F)cc(S(=O)(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] 488219061 LRLLSENZVUUDSG-UHFFFAOYSA-N 442.428 4.087 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)c(Br)c1 497986494 ZGDYFLHBCXZBAZ-INIZCTEOSA-N 443.344 4.102 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@@H]1CCCN1c1ncnc2sccc12 499512462 PYIZOBLZOGRMOI-AWEZNQCLSA-N 437.403 4.226 5 20 IIBD O=C(Nc1ccc(-c2ncco2)cc1)c1ccc([N+](=O)[O-])cc1I 500395693 MDNABCZMCYKECO-UHFFFAOYSA-N 435.177 4.107 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCCN([C@@H](C)c2ccccc2F)C1=O 505496940 VESPFQMSPACORF-LPHOPBHVSA-N 427.476 4.141 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 505748566 YBPZYMADEVXMEW-MRXNPFEDSA-N 443.573 4.435 5 20 IIBD COC(=O)C1(c2ccccc2)CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 506638299 CIUPQBQSZYZSGT-UHFFFAOYSA-N 437.521 4.425 5 20 IIBD Cc1ccc(NC(=O)COc2ccc(CCNC(=O)c3cccc(C)c3[N+](=O)[O-])cc2)cc1 508326168 ATUWFFCVVYKWAA-UHFFFAOYSA-N 447.491 4.202 5 20 IIBD COc1ccc(CNC(=O)N2CCc3c(Br)cccc3[C@H]2C)cc1[N+](=O)[O-] 508814828 XSSGGCWBONGUJJ-GFCCVEGCSA-N 434.290 4.195 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(OC[C@@H](OC)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 508982167 GJXUMNOLJRSCOI-LJQANCHMSA-N 442.921 4.045 5 20 IIBD COC(=O)C1(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CCC(C)CC1 509167337 MURCVHJQDQTXOQ-IOXSGPKDSA-N 440.500 4.015 5 20 IIBD CCN(Cc1ccccc1)C(=O)CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 512230011 SEYOTKALBRJEAZ-UHFFFAOYSA-N 433.464 4.166 5 20 IIBD CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 513696139 SSZNABZPTLNCSY-UHFFFAOYSA-N 431.452 4.140 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)NCc1cn(-c2ccccc2)nc1-c1ccccc1 514901353 AADBTNQBOCVHSR-UHFFFAOYSA-N 428.448 4.143 5 20 IIBD O=C(NCc1cnc2n1CCCC2)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 517046535 BZGYAMOGAZXXRV-UHFFFAOYSA-N 439.903 4.323 5 20 IIBD C[C@@H](c1cccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1)N1CCOCC1 517856906 SOIUGXYVEBONRB-HNNXBMFYSA-N 438.509 4.364 5 20 IIBD Cc1ccc(Sc2ccc(CNC[C@@H](C(C)C)N3CCN(C)CC3)cc2[N+](=O)[O-])cc1 518269375 BHEGZDCKOBNVCP-QHCPKHFHSA-N 442.629 4.416 5 20 IIBD CCCCc1nc(COc2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])cs1 518716373 UYSOUADOKFYPPF-UHFFFAOYSA-N 427.548 4.003 5 20 IIBD C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 519121860 RDICVEXHLMSFMO-ADLMAVQZSA-N 437.315 4.335 5 20 IIBD O=C(NCCCOc1ccc(Cl)cc1Cl)c1cc(O)nc2ccc([N+](=O)[O-])cc12 520310975 WAVGOWSDFJCOER-UHFFFAOYSA-N 436.251 4.354 5 20 IIBD Cc1cc(C(=O)NC2CCCC2)ccc1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 520472448 UXWBMTMKOQOQNL-UHFFFAOYSA-N 437.905 4.030 5 20 IIBD CCN(C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)[C@H](c1ccccc1)c1ccc(F)cc1 520727210 NWTHUBBVTYNYKO-HSZRJFAPSA-N 449.438 4.280 5 20 IIBD COc1cc(C(=O)Nc2nc(-c3ccc(C)s3)ns2)c([N+](=O)[O-])cc1OC(F)F 522269343 UOLQOVNBJQVTBM-UHFFFAOYSA-N 442.425 4.346 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2C)cc1[N+](=O)[O-] 522692890 AVTVPKGVHJFIAJ-UHFFFAOYSA-N 428.466 4.292 5 20 IIBD COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1NC(=O)C1CCCCC1 523812297 POSAHAUQDGTADL-UHFFFAOYSA-N 427.457 4.383 5 20 IIBD COc1cc(C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 525537490 RIXHYCPQCXHNSP-WMLDXEAASA-N 447.919 4.461 5 20 IIBD COc1ccc(CSCC(=O)N2CCC(OCC3CCCCC3)CC2)cc1[N+](=O)[O-] 525672788 UGWQEUFSAPAXOP-UHFFFAOYSA-N 436.574 4.425 5 20 IIBD C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 533057774 OGXWSLGDLVFKOM-IEBWSBKVSA-N 431.496 4.170 5 20 IIBD CC(=O)N(c1ccccc1)c1nc(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)cs1 535219531 JIZIFNAYYQWMFH-UHFFFAOYSA-N 437.525 4.058 5 20 IIBD O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2 536619023 VBDBSSPXUMPJMM-IRXDYDNUSA-N 441.434 4.095 5 20 IIBD Cc1c(NC(=O)C(=O)NCc2ccc(Sc3ccc(F)cc3)cc2)cccc1[N+](=O)[O-] 536987786 JHAUFDIEKCKLPP-UHFFFAOYSA-N 439.468 4.448 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1cnn(-c2ccc(F)cc2)c1C 540463315 HDZZZHZXBYQOKE-OAHLLOKOSA-N 425.464 4.216 5 20 IIBD CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)CC2 542601192 NNRBGYKZUXXXCO-LEWJYISDSA-N 448.585 4.269 5 20 IIBD CCCc1c(NC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)cnn1-c1cccc(F)c1 543364135 BHDPCRSYEMDCFC-UHFFFAOYSA-N 427.436 4.202 5 20 IIBD COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)c1 543368379 LKWSAEQTIQNWBD-BEFAXECRSA-N 430.526 4.455 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1 543386722 RUBZRZMVGQADKU-UHFFFAOYSA-N 425.485 4.193 5 20 IIBD CCN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1S(=O)(=O)CC 544049044 JKZPSKQOHCCFBY-UHFFFAOYSA-N 442.946 4.187 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H]2CCN(c3ccccc3Br)C2=O)n1 544715991 VPONGLBLXJQUTO-AWEZNQCLSA-N 443.257 4.236 5 20 IIBD COc1cc(N[C@@H]2CCCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)C2)cc(OC)c1 545855497 HYJVCNBGKRHCDU-OAHLLOKOSA-N 445.491 4.132 5 20 IIBD CC(C)Sc1ccc([C@@H](C)NC(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 553094025 SZLRJGZUEVQYAZ-MRXNPFEDSA-N 441.553 4.464 5 20 IIBD C[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@@H](c2cccc(C(F)(F)F)c2)O1 553723479 VXUSYWZVZUZHDA-KUHUBIRLSA-N 438.402 4.371 5 20 IIBD COc1ccc(CN[C@@H](CO)c2ccc(F)cc2)cc1OCc1ccc([N+](=O)[O-])cc1 553801436 VZABHSQJOSHVLX-NRFANRHFSA-N 426.444 4.145 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])c1cnn(-c2cccc(C(F)(F)F)c2)c(=O)c1Cl 558763497 ZBRNCSWLFBDWFL-UHFFFAOYSA-N 438.793 4.449 5 20 IIBD CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 558857941 WESYKCJHPRVKAA-UHFFFAOYSA-N 444.495 4.469 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C3)cs1 560857550 SRRTYXKIABRTRK-UHFFFAOYSA-N 428.539 4.393 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ncnc2scc(-c3ccccc3)c12 565924055 XWRXJYKCCBLHMY-UHFFFAOYSA-N 440.506 4.251 5 20 IIBD C[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccc(Oc2cccnc2)cc1 566699759 LWIPVVXIBYKTRY-MRXNPFEDSA-N 429.436 4.459 5 20 IIBD CC1CCN(Cc2ccccc2CN[C@H](c2ccc([N+](=O)[O-])cc2)c2nccn2C)CC1 567243887 ACVRZJFNLIXAAU-XMMPIXPASA-N 433.556 4.439 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[C@@H](n4cc(Cl)cn4)C3)cc2[N+](=O)[O-])C1 572535538 FEPSPZIXTSHXQQ-IIDMSEBBSA-N 431.924 4.014 5 20 IIBD Cc1nc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)ccc1-c1ccccc1 578944201 XRQJEPSDTDPTHR-UHFFFAOYSA-N 432.436 4.292 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)C[C@@H]2CCN(Cc3ccc(C)s3)C2)c1 582513441 FJKFZLDUHYQITK-SFHVURJKSA-N 431.558 4.023 5 20 IIBD CCc1cccc2c1OCC[C@@H]2NCc1cc(I)cc([N+](=O)[O-])c1 589311298 MIXGOHSHSUJBQW-KRWDZBQOSA-N 438.265 4.375 5 20 IIBD C[C@@H](c1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1)N1CCOCC1 592428255 XDCPKLRDLVZNEE-IBGZPJMESA-N 441.531 4.187 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cccc(OCc2cccc(F)c2)c1 604010906 ZZTDMCHPLALHGI-UHFFFAOYSA-N 425.416 4.372 5 20 IIBD CCOC(=O)C1CCC(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)CC1 604542678 ARYUDQRSJBRIOJ-UHFFFAOYSA-N 449.554 4.363 5 20 IIBD CC[C@H](C)n1c(SCC(=O)NCc2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1 604548321 MCMUAHCQBAZYJU-HNNXBMFYSA-N 425.514 4.233 5 20 IIBD CN(Cc1ccccc1C(F)(F)F)c1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl 608830469 HMKICJWZIOWVDC-UHFFFAOYSA-N 438.793 4.449 5 20 IIBD COc1cc(Br)cc(C)c1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 609097713 DEFAGPKIQQTSPZ-UHFFFAOYSA-N 431.246 4.112 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCN(C(=O)c2ccc(Cl)cc2F)CC1 609194192 CFGPZPPUFKGRPO-UHFFFAOYSA-N 435.883 4.133 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC[C@@H]1OCCc2ccccc21 609580732 PKFVILNHPFRMRH-INIZCTEOSA-N 426.416 4.136 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])NCCCCSc1ccccc1Br 609652702 IWNPSWQPZCGYBA-UHFFFAOYSA-N 439.331 4.425 5 20 IIBD CNS(=O)(=O)c1ccc(N[C@H](Cc2ccccc2)c2sccc2C)c([N+](=O)[O-])c1 609914806 ZRZDAQVCNCFKFN-GOSISDBHSA-N 431.539 4.269 5 20 IIBD CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCc1ccc(NC(=O)c2ccco2)cc1 610128981 NIGOIQINPVLYOK-UHFFFAOYSA-N 427.388 4.368 5 20 IIBD C[C@H](O)C[C@@H](C)CNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 610146244 QKQVQMUHSOKYLX-OLZOCXBDSA-N 439.871 4.386 5 20 IIBD Cc1cc(C)n(-c2ccc(CC(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)cc2)n1 610305619 DIWMZARSDOQUBO-UHFFFAOYSA-N 434.496 4.010 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(F)cc2OC2CCCC2)cc1[N+](=O)[O-] 610904911 GWTRJZBDIVLJNH-AWEZNQCLSA-N 429.448 4.180 5 20 IIBD Cc1[nH]nc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1-c1cccc(Cl)c1 613344409 BPRJGINLPSCQKU-UHFFFAOYSA-N 443.872 4.296 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)C[C@@H](c2ccccc2)C(F)(F)F)c([N+](=O)[O-])c1 728655466 VTDCPHDOLZLFIY-DOMZBBRYSA-N 440.374 4.210 5 20 IIBD Cc1nc(COc2ccc(C(=O)OCc3cc([N+](=O)[O-])ccc3OC(C)C)cc2)no1 729115323 XDISHMWINPHXRS-UHFFFAOYSA-N 427.413 4.009 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 729116433 QCTAUYAYSYSYTF-UHFFFAOYSA-N 444.528 4.148 5 20 IIBD NC(=O)c1ccccc1COC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 729807520 QNOGULYVIUUZPR-UHFFFAOYSA-N 426.812 4.496 5 20 IIBD C[C@H](OC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1)C(=O)Nc1ccccc1[N+](=O)[O-] 730377000 ODAZSXIOOKZYGZ-NSHDSACASA-N 449.250 4.271 5 20 IIBD Cc1cc(C)c(OC(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)c([N+](=O)[O-])c1 730740134 AARUMEDWRDHHPM-UHFFFAOYSA-N 425.462 4.405 5 20 IIBD C[C@H](OC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1nc2cc(Br)cnc2[nH]1 735214080 MCLVFPCGBAHWSF-QMMMGPOBSA-N 430.218 4.028 5 20 IIBD C[C@H](Sc1ccccc1Cl)C(=O)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 735345959 XULLPKQMVKYCPF-LBPRGKRZSA-N 436.873 4.270 5 20 IIBD COc1ccc(C(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] 735637508 IGWSFAWMQFAKSL-UHFFFAOYSA-N 449.379 4.210 5 20 IIBD CC(C)NS(=O)(=O)c1cc(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)ccc1F 736016035 OMSDOLTVVYNHGV-UHFFFAOYSA-N 449.504 4.010 5 20 IIBD CCOC(=O)Nc1ccc2c(COC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)cc(=O)oc2c1 736873475 CFMHMRJJLBZCQN-UHFFFAOYSA-N 446.799 4.280 5 20 IIBD C[C@H]1C[C@@H](c2ccccc2F)N(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 742332748 NXPXTYDNYOENPQ-ZBEGNZNMSA-N 443.294 4.268 5 20 IIBD CC(C)c1c(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1-c1ccccn1 744700671 JJRZDBMZMOANAX-AWEZNQCLSA-N 448.439 4.267 5 20 IIBD C[C@H](C(=O)O[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1C(F)(F)F 745310351 ZYUIWBOGJOHPEU-WDEREUQCSA-N 428.338 4.427 5 20 IIBD COc1cc(COC(=O)c2cccc(Cl)c2[N+](=O)[O-])c([N+](=O)[O-])cc1OC(F)F 750535775 RRWBAUIFVBCRBO-UHFFFAOYSA-N 432.719 4.123 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)cc2)nc1 752136730 MVFGZNNJWXYTQW-MRXNPFEDSA-N 434.452 4.215 5 20 IIBD C[C@H](OC(=O)Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 752883623 LJASXUACRCRCDH-JTQLQIEISA-N 430.766 4.380 5 20 IIBD CS(=O)(=O)CC1(COC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CCC1 753387936 IYELEMPFCIGWJE-UHFFFAOYSA-N 435.523 4.118 5 20 IIBD O=C(NCCc1nnc(S)n1C1CC1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 755300522 YHYLFRSGAWGTBS-UHFFFAOYSA-N 447.586 4.065 5 20 IIBD CC[C@@H]1CN(c2cc(Cl)c(C(=O)OC)cc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C 756955341 LDXJUYMCRBCUOF-IUODEOHRSA-N 441.912 4.164 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccccc1)C[C@H](O)c1ccsc1 757178044 UCYAVNWKIDACMF-IBGZPJMESA-N 427.482 4.433 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NC1CCN(c2nc3ccccc3s2)CC1 757203820 NRRBQPXUWFDFAO-UHFFFAOYSA-N 445.932 4.326 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCO[C@H](CCc2ccccc2)C1 757772370 ZAHMSSRVEAPUAZ-MRXNPFEDSA-N 434.290 4.223 5 20 IIBD C[C@H](OC(=O)c1ccn(-c2ccc(Cl)cc2)n1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 757882254 IYEZWABLLOGGLQ-LBPRGKRZSA-N 439.815 4.402 5 20 IIBD COC(=O)c1ccc(Cl)c(NC(=O)c2cccc([N+](=O)[O-])c2Br)c1C 759173005 FCSRBFPQZNIAIZ-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD O=C(O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1csc(Cc2ccc(F)cc2)n1 759948810 NYXPKYMWBBJOSN-SJORKVTESA-N 430.461 4.318 5 20 IIBD Nn1c(SCc2ccccc2)nnc1SCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760309159 PQAJNAFMFOSETC-UHFFFAOYSA-N 440.510 4.140 5 20 IIBD COc1cc(Cc2noc(Cn3c(SC(F)F)nc4ccccc43)n2)ccc1[N+](=O)[O-] 762308467 LPTRUOKKECHBFM-UHFFFAOYSA-N 447.423 4.290 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](CCc2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)C1 762309888 RKSJOOFHHXUGJN-AWEZNQCLSA-N 441.488 4.240 5 20 IIBD Cc1onc(-c2ccccc2Cl)c1C(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 763051018 HBOBRXZGRWBXIJ-GFCCVEGCSA-N 429.816 4.396 5 20 IIBD CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1cc(F)c([N+](=O)[O-])cc1F 763511492 GADCXJAUESYASS-HNNXBMFYSA-N 447.221 4.084 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 765737301 YWPMKNCJNWQSKN-QGZVFWFLSA-N 441.818 4.133 5 20 IIBD O=C(Oc1ccc2oc3ccccc3c2c1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 766323753 MJYXBMLNIODRAF-UHFFFAOYSA-N 430.372 4.367 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)C1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 769315748 WHWCMRHARSWOMI-ZDUSSCGKSA-N 442.354 4.483 5 20 IIBD O=C(COC(=O)c1cc(Br)ncc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 769826580 UMMBOHALIABYCI-UHFFFAOYSA-N 434.029 4.099 5 20 IIBD C[C@@H](Nc1ccc(C(=O)OCc2cn(C)nc2C(F)F)cc1[N+](=O)[O-])c1ccccn1 770350750 ZFRPWSNEFAUCIR-GFCCVEGCSA-N 431.399 4.191 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H](C)[C@H](O)c2cccc(F)c2)cc1 771739772 SSFKRLIHLYSXNF-FPTDNZKUSA-N 440.427 4.387 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCN1C(=O)OC(C)(C)C 773799439 SKBVEYUUFJGXLL-RISCZKNCSA-N 431.411 4.131 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CC1C[C@@H]3CC[C@H](C1)N3C(=O)OC(C)(C)C)CC2 773994608 AFOZCHHGLHAYCF-ZNXRZULTSA-N 429.517 4.361 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(C[C@H](O)c3ccc(F)c(Br)c3)CC2)cc1 774631982 OBWIMPDBHVHBGD-IBGZPJMESA-N 439.281 4.073 5 20 IIBD O=C(COc1ccc(Br)cc1)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776135815 SAAOFLNAWKPZKR-HXUWFJFHSA-N 443.253 4.464 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 778598716 VRMSEVYTQJBESV-GHMZBOCLSA-N 448.398 4.261 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCc2sccc2[C@@H]1c1cccs1 779528144 AHGAMRJJWBOTQL-QGZVFWFLSA-N 447.925 4.484 5 20 IIBD C[C@H](OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)NC[C@@H](C)c1ccccc1 781260214 STKOXBIKXYUQIW-SJORKVTESA-N 428.488 4.147 5 20 IIBD Cc1cc(=O)oc2cc(OCCOC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)ccc12 781261421 UPYGJFWRZYRIPH-UHFFFAOYSA-N 441.439 4.332 5 20 IIBD C[C@@H](OC(=O)c1ccc(OC2CCCC2)nc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 781767766 NMWSGKGBXDTLKS-GFCCVEGCSA-N 433.848 4.149 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 783019879 JDVAKYGVSHYGDE-ZWKOTPCHSA-N 434.537 4.351 5 20 IIBD CCN(CC)C(=O)CCC1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 783593953 OVPYUVUSJPPSFJ-UHFFFAOYSA-N 426.355 4.218 5 20 IIBD CC(C)OCCCCNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 783639702 ZQNKXFYUFNNXQR-UHFFFAOYSA-N 433.892 4.436 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)OCc3nnc(-c4ccccc4)o3)cc2[N+](=O)[O-])C1 787431894 UMGGMWCOOWTWNJ-HZPDHXFCSA-N 436.468 4.484 5 20 IIBD Cc1sc(NS(=O)(=O)C2=Cc3ccccc3OC2)nc1-c1cccc([N+](=O)[O-])c1 788842377 RJASFAXVCCTICY-UHFFFAOYSA-N 429.479 4.202 5 20 IIBD CC(C)COc1ccc(OC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 789533650 VAGDABHQGHXKDD-UHFFFAOYSA-N 428.470 4.129 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 790563952 JYTCIVCURZDSMN-LLVKDONJSA-N 430.238 4.117 5 20 IIBD CN(C)c1cc(F)c(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)cc1[N+](=O)[O-] 791335488 GMQAXIPHWYETNT-CYBMUJFWSA-N 437.855 4.263 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)OC[C@H]1CCC[C@H](O)C1 795296109 PEYQPDUXEUFNRF-JTSKRJEESA-N 435.480 4.084 5 20 IIBD CN(C(=O)COC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C(c1ccccc1)c1ccccc1 798129399 NWUWSKYFUXWYLJ-VKAVYKQESA-N 430.460 4.399 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1c(Br)sc(C)c1C 799544474 ROJZTIVMCYNFDM-UHFFFAOYSA-N 427.276 4.140 5 20 IIBD CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](c2ccncc2)C1 800331215 PXUCEFRENBGDAZ-GOSISDBHSA-N 446.891 4.077 5 20 IIBD Cc1c(C(=O)Nc2ccc([N+](=O)[O-])c(I)c2)cnn1CCC(C)C 801699936 QLXJPQPCHFWDNP-UHFFFAOYSA-N 442.257 4.003 5 20 IIBD CC(C)(CCc1noc(-c2coc(-c3ccc(Br)cc3F)n2)n1)[N+](=O)[O-] 812813038 CSOQUYAQEPPHDD-UHFFFAOYSA-N 425.214 4.281 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(N(C)C(=O)OC(C)(C)C)s2)cc([N+](=O)[O-])c1 813457457 UAGMIFZRGUQQKH-UHFFFAOYSA-N 435.458 4.067 5 20 IIBD O=C(NC[C@@H](O)c1cccc(Br)c1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813577668 ZZQDUUQYBBWFBE-CYBMUJFWSA-N 434.073 4.128 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 814152468 HTHBKZFTQUORCA-QWFCFKBJSA-N 431.533 4.021 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C2)C1 814428593 LIPZUBOECAATLQ-JKSUJKDBSA-N 435.496 4.233 5 20 IIBD Cc1ccc(C(=O)N2CCC[C@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1[N+](=O)[O-] 814432142 OYFVJJVRVYQNNE-RBUKOAKNSA-N 431.533 4.403 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1[C@@H](O)c1ccccn1 819595848 PDLPMXQXMXFTEE-LJQANCHMSA-N 442.269 4.395 5 20 IIBD COc1c([N+](=O)[O-])cc(N[C@H](C)c2nc3ccccc3[nH]2)c([N+](=O)[O-])c1Br 836505154 HMYPQPPMCUVAEW-MRVPVSSYSA-N 436.222 4.324 5 20 IIBD C[C@@H](c1ccc(Cl)cc1)N(C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)C1CC1 914481041 VPGPFTNNHVBAKH-ZFWWWQNUSA-N 445.878 4.492 5 20 IIBD O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(Cn2c(=S)oc3ccc([N+](=O)[O-])cc32)C1 917476334 DLNVCIMFRZDDMP-LBPRGKRZSA-N 447.904 4.229 5 20 IIBD COc1ccccc1OCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 917815479 YPLHGEAPPOPXKM-UHFFFAOYSA-N 435.480 4.367 5 20 IIBD COc1c(Br)cc(Cl)cc1S(=O)(=O)Oc1cccc([N+](=O)[O-])c1C 917921774 ZIBOSJOLJBSRKE-UHFFFAOYSA-N 436.667 4.095 5 20 IIBD COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c1 918636381 KNVYTUKTFZICSZ-UHFFFAOYSA-N 446.416 4.419 5 20 IIBD Cc1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)s1 921127182 DMDGDGXNFIJALD-UHFFFAOYSA-N 433.873 4.379 5 20 IIBD Nn1c(SCCOc2ccc([N+](=O)[O-])cc2)nnc1-c1cc(Cl)ccc1Cl 921264075 KXZVKCACNPDWIR-UHFFFAOYSA-N 426.285 4.045 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1NC(=O)c1ccncc1 921297765 RYVXNFPWLMTVQS-UHFFFAOYSA-N 446.872 4.005 5 20 IIBD COc1cc(Cl)c(Br)cc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 1116782333 OJDPITXDECKJIF-UHFFFAOYSA-N 428.622 4.059 5 20 IIBD C[C@@H](OC1CCCCC1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 1321830081 GNTPKTUCMMWQJR-CQSZACIVSA-N 429.439 4.000 5 20 IIBD O=C(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H](Sc1ccc(F)cc1)c1ccccc1 1326917057 VVUFFOKJWQSUHK-LJQANCHMSA-N 446.481 4.072 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)c1nnc(-c2cc(F)ccc2Br)o1 1328447725 UWBIXTWHBIWJGR-LBPRGKRZSA-N 439.245 4.152 5 20 IIBD O=C(c1ccc(C2SCCCS2)cc1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1337862259 MDWSXBVTTKFSIN-UHFFFAOYSA-N 443.594 4.422 5 20 IIBD CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3n[nH]cc3[N+](=O)[O-])CCC2)cc1)c1ccccc1 1787645798 DAZUTNCGHMXFMA-LJQANCHMSA-N 447.495 4.259 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccs4)CCC3)cc2)ncc1[N+](=O)[O-] 1788765589 RRJNWSUNAPYQSF-UHFFFAOYSA-N 436.493 4.421 5 20 IIBD CCO/C=C/C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)CCC1 1790624859 OCDKWPJHAIWKMN-JLHYYAGUSA-N 427.432 4.032 5 20 IIBD CCC(=O)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3C)cc2)CCC1 1790774845 UXURLWLMORWMQT-UHFFFAOYSA-N 443.887 4.283 5 20 IIBD COc1cc(C(=O)Nc2ccc(C3(NC(=O)c4c[nH]cc4C)CCC3)cc2)ccc1[N+](=O)[O-] 1792164730 SNMIYBSMPKRCPF-UHFFFAOYSA-N 448.479 4.301 5 20 IIBD CC(C)(C)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2F)[nH]n1 1816763526 MNFDHBFJKZJKGE-GOSISDBHSA-N 445.495 4.128 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@H]2CCCCN2C(=O)CCc2ccccc2)CC1 1826365015 AEJQESFOUQENPK-HXUWFJFHSA-N 439.512 4.054 5 20 IIBD C[C@]1(C(=O)N2CCCC23CN(C(=O)c2cc4cc([N+](=O)[O-])ccc4s2)C3)CC=CCC1 1846706373 DXMGYHDGZFJNDS-QFIPXVFZSA-N 439.537 4.373 5 20 IIBD COc1ccc(C(=O)COC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1Br 11025267 QUQGVXFFXCGTBF-UHFFFAOYSA-N 428.622 4.059 5 20 IIBD C[C@@H](OC(=O)CCC(=O)c1ccc2c(c1)CCC2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 17747456 XXQGZUOKWOQORR-CQSZACIVSA-N 435.436 4.401 5 20 IIBD CCOc1cc(-c2nnc(Sc3ncccc3[N+](=O)[O-])o2)cc(OCC)c1OCC 22799374 DNAQLVYXIYNLMD-UHFFFAOYSA-N 432.458 4.387 5 20 IIBD COc1ccc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1NC(C)=O 26616538 MTGUPOIVUUPPJO-UHFFFAOYSA-N 434.452 4.426 5 20 IIBD COc1ccc(CN(C(=O)Cn2nc(C)c([N+](=O)[O-])c2C)[C@@H](C)Cc2cccs2)cc1 27203307 MYNCOIAXZDJVAT-HNNXBMFYSA-N 442.541 4.138 5 20 IIBD COc1ccc([C@@H](CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)N2CCCCC2)cc1 27667916 LLZPROMOYISJCD-HTAPYJJXSA-N 443.569 4.427 5 20 IIBD Cc1ccc(S(=O)(=O)NCc2cccc(COCc3ccccc3)c2)cc1[N+](=O)[O-] 32442038 KBGRNNKNICJJDK-UHFFFAOYSA-N 426.494 4.099 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1nc2cc3c(cc2s1)OCCCO3 64781492 WSXRAOSYGFQYHZ-JTQLQIEISA-N 449.872 4.425 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccc1 71810011 SOBUOGYVLZWURX-LJQANCHMSA-N 425.485 4.008 5 20 IIBD CCOc1ccc(-c2nc(C(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)cs2)cc1 106011572 QQJLOHHISQDTEX-UHFFFAOYSA-N 438.509 4.079 5 20 IIBD Cc1cc(C)n(-c2ccc(CNC(=O)COc3cccc([N+](=O)[O-])c3)c(C(F)(F)F)c2)n1 109089786 FCCHMPWRTVTKAD-UHFFFAOYSA-N 448.401 4.111 5 20 IIBD Cc1csc(Sc2ccc(NS(=O)(=O)c3ccc(O)c([N+](=O)[O-])c3)c(C)c2)n1 110401985 ZUMUMAJPOVJGOY-UHFFFAOYSA-N 437.524 4.326 5 20 IIBD COc1ccc([C@@H](CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)N2CCCCC2)cc1 237323994 RWJYMXTVADSBSW-XMMPIXPASA-N 449.555 4.321 5 20 IIBD COc1cccc([C@@H](Nc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)c2nccn2C)c1 301131261 YVHKBSQNQOFSAL-OAQYLSRUSA-N 430.468 4.304 5 20 IIBD C[C@@H](NC1(CNc2ncc(Br)cc2[N+](=O)[O-])CCOCC1)c1ccccc1 301702858 UJUZAIYJPHJSLD-CQSZACIVSA-N 435.322 4.064 5 20 IIBD COc1ccc(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1OC1CCCC1 303203819 OYVHUWSJYJGJQR-UHFFFAOYSA-N 439.512 4.455 5 20 IIBD COc1ccc(NC(=O)c2cc(Br)cc(Br)c2)c([N+](=O)[O-])c1 318422723 UNDJMZIHBPTIMM-UHFFFAOYSA-N 430.052 4.381 5 20 IIBD C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CCC(c2ccncc2)CC1 429571596 DUTDYQXLEOFUMC-HNNXBMFYSA-N 437.525 4.320 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NC1(c2cccc(Br)c2)CC1 432333488 BDZOKUACPOQQGQ-UHFFFAOYSA-N 442.269 4.090 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCCc1nc(C2CCCCC2)cs1 432491687 DIEHNGBAFXXJQB-UHFFFAOYSA-N 440.525 4.385 5 20 IIBD COCCN(C(=O)c1cccc(OC)c1[N+](=O)[O-])[C@H](C)c1cccc(C(F)(F)F)c1 435608951 WMKRRCNBIOASMC-CYBMUJFWSA-N 426.391 4.472 5 20 IIBD CC(C)OCCCN(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435838355 WQXHDXRSLGALNE-UHFFFAOYSA-N 437.543 4.020 5 20 IIBD CC[C@H](CSc1ccccc1[N+](=O)[O-])Nc1cccc(N2CCN(C(C)=O)CC2)c1 437071295 XXOPFQROSZFLGH-GOSISDBHSA-N 428.558 4.246 5 20 IIBD CC(C)c1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2N(C)C2CCN(C)CC2)cc1[N+](=O)[O-] 438943312 OCNUWDPHNCQBCU-VXKWHMMOSA-N 430.593 4.127 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)c1cc(Cl)ccc1Cl 439716940 SESAUGIQIOHZHT-JTQLQIEISA-N 426.256 4.116 5 20 IIBD COc1cc(Br)c(C(=O)Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)cc1OC 442907367 XLKSNPDCROZLQC-UHFFFAOYSA-N 446.257 4.121 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NCc1ccc2c(n1)CCCC2 443963623 OJEKDTUZJRNRPB-UHFFFAOYSA-N 438.509 4.282 5 20 IIBD COCC[C@@H](NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1ccc(C)o1 444292843 SZOQNWSNNIEFKN-GOSISDBHSA-N 426.419 4.369 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccc(Nc2ncccn2)cc1 444414461 GGLGVZPEZOGSIH-UHFFFAOYSA-N 428.246 4.072 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC(CO)(Cc2ccccc2)CC1 445246137 WUWXPPONSVUFKM-UHFFFAOYSA-N 435.427 4.045 5 20 IIBD C[C@@H](NC(=O)Cc1noc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1)c1ccccc1 445291674 MYLIKPXDYGPKDA-CYBMUJFWSA-N 435.465 4.188 5 20 IIBD CCCCc1ccc(NC(=O)Cc2noc(-c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)n2)cc1 445328166 NOJUUGUFNLDGPT-UHFFFAOYSA-N 446.467 4.354 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CCOc2ccc(Br)cc21 446034090 WJWLRJAZHKCWHK-HNNXBMFYSA-N 436.262 4.353 5 20 IIBD O=C(c1cc(Br)sc1Br)N1CCc2ccc([N+](=O)[O-])cc2C1 446427318 CRDHOSTWSKWBHU-UHFFFAOYSA-N 446.120 4.380 5 20 IIBD CCCOc1c(Br)cc(CNCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1OC 446847691 OBZKGBUXPYZBDM-UHFFFAOYSA-N 449.305 4.321 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 447803959 CNBRJBIGHRHBOJ-QGZVFWFLSA-N 440.475 4.091 5 20 IIBD Cc1sc(NC(=O)c2ccc(O[C@H]3CCOC3)cc2)nc1-c1cccc([N+](=O)[O-])c1 448199816 WNJSDXUMQBULOO-SFHVURJKSA-N 425.466 4.447 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3C[C@H]4CC[C@H]3c3ccccc34)n2C[C@H]2CCOC2)c1 461573338 SHGMQPNVCGLIPS-CDMIOBSGSA-N 431.496 4.329 5 20 IIBD C[C@@H]1[C@H](C(F)(F)F)CCCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCOC1 461577496 MNRGMEGETDSOLU-JKIFEVAISA-N 439.438 4.057 5 20 IIBD C[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[C@H]1c1ccccc1 462411358 CQVCPUACJHNRLQ-XJKSGUPXSA-N 439.331 4.172 5 20 IIBD O=C(CCc1cncc2ccccc12)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 462914171 QAFJQYFUOKYBIQ-UHFFFAOYSA-N 432.402 4.323 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)CC(F)(F)F 463746763 OYWGBVPCYSLDCA-LLVKDONJSA-N 433.408 4.157 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 465032699 OBSUXHACVQXMHV-UHFFFAOYSA-N 436.386 4.119 5 20 IIBD CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 465635596 KHHVAZRVZGGJFX-VFNWGFHPSA-N 432.471 4.413 5 20 IIBD O=C(NCc1cc2cc(Br)ccc2[nH]1)NCc1ccc([N+](=O)[O-])cc1Cl 467024030 NRADZGMQZKXIKL-UHFFFAOYSA-N 437.681 4.491 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N(C)CCCN2CCCC2)cc1[N+](=O)[O-] 467676027 MIYWOQSDZBBLQY-UHFFFAOYSA-N 441.553 4.106 5 20 IIBD COc1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c(I)c1 468128833 INJKKNXIQXTQGU-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD Cc1cnn(Cc2ccccc2F)c1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 470196064 WZLSADVJRKQZNU-UHFFFAOYSA-N 433.237 4.302 5 20 IIBD Cc1nc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)oc1-c1ccc(Cl)cc1 472347858 KVXDUDHQDZEPGO-UHFFFAOYSA-N 442.280 4.344 5 20 IIBD O=C(c1ccc(C(=O)N2CCCC3(CCC3)C2)c([N+](=O)[O-])c1)N1CCCC2(CCC2)C1 473320425 LWULSQNADVRESF-UHFFFAOYSA-N 425.529 4.407 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O 476726176 MIIDEFKCELYYOV-UHFFFAOYSA-N 429.835 4.309 5 20 IIBD O=C(c1ccc(C2CCCCC2)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 478648344 LCMWXGCHLZXIHL-UHFFFAOYSA-N 427.526 4.302 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)N2CC[C@@H]2Cc2ccccc2)cc1[N+](=O)[O-] 479364144 HTMYFEQBNGDYDZ-HXUWFJFHSA-N 443.503 4.349 5 20 IIBD C[C@@H](Sc1nnc(COc2ccccc2)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 479720831 YOHLYUUKPPTGKD-GFCCVEGCSA-N 447.904 4.075 5 20 IIBD Cc1nc(CN(C)[C@H]2CCCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])CC2)no1 480229480 PAZCGKSTWQUPHP-FQEVSTJZSA-N 449.511 4.008 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)c1 481890502 IOLLYDDSHGTEOU-WIYYLYMNSA-N 425.554 4.443 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 482380614 FIJAOXIEAULEAT-OAHLLOKOSA-N 448.348 4.211 5 20 IIBD Cc1nc2cc(Cl)c(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)cc2s1 484663106 HRAZRSRTVGADGI-ZDUSSCGKSA-N 434.861 4.003 5 20 IIBD O=C(O)c1cc(C(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)cc([N+](=O)[O-])c1 485734625 QUGQEDXYPAYDQH-PMERELPUSA-N 430.482 4.127 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(CC(F)(F)C(F)F)CC1 486800164 XHYOEYOWULLZHW-UHFFFAOYSA-N 437.459 4.001 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N(CCc1ccccc1)c1nc2ccccc2s1 488248771 BHCBHRKZHCMMRN-UHFFFAOYSA-N 435.509 4.375 5 20 IIBD CCC(C)(C)OCc1ccccc1NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 488302536 SREQXEILYASRBH-UHFFFAOYSA-N 426.466 4.249 5 20 IIBD O=C(N[C@@H]1CSc2ccc(Br)cc21)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 489632393 QDJGUKXMMLCASG-CQSZACIVSA-N 445.298 4.120 5 20 IIBD O=C(Nc1ccc(-n2cncn2)c(F)c1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 493097469 OBTBWXIOLXCKBW-UHFFFAOYSA-N 432.415 4.179 5 20 IIBD CC[C@@H](NC(=O)C(=O)Nc1ccccc1OCCc1ccccc1)c1cccc([N+](=O)[O-])c1 494017497 MXEZRWLAYMXNAX-OAQYLSRUSA-N 447.491 4.422 5 20 IIBD O=C(c1ccc(I)c(Cl)c1)N1CCc2ccc([N+](=O)[O-])cc21 495158578 NBJLAPWHTUZDDX-UHFFFAOYSA-N 428.613 4.056 5 20 IIBD O=C(Nc1cccc(Cl)c1OCC(F)F)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 497651172 JBXNRABZMHLECM-UHFFFAOYSA-N 440.834 4.246 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@H](c1ccccc1)c1cccc(Cl)c1 501444376 PDHDXAGDLIDBAK-OAQYLSRUSA-N 437.839 4.062 5 20 IIBD Cc1ccc(-c2csc(C[S@](=O)CCC(=O)Nc3ccccc3[N+](=O)[O-])n2)cc1 505734846 XXSWGWIJEKCEFT-GDLZYMKVSA-N 429.523 4.304 5 20 IIBD COc1c(Cl)cccc1NC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 510490967 NGICZMNVPSCFTK-INIZCTEOSA-N 435.864 4.461 5 20 IIBD Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 511282515 SKSXSVLRYWVSJU-UHFFFAOYSA-N 439.516 4.009 5 20 IIBD C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 513197474 QSQPPHGVNXGWDX-JTQLQIEISA-N 431.297 4.138 5 20 IIBD CCOc1ccc(NC(=O)CNc2ccccc2NC(=O)c2ccccc2)c([N+](=O)[O-])c1 513208512 VONXLBLOUKMXIN-UHFFFAOYSA-N 434.452 4.296 5 20 IIBD Cc1ccc(CNC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c(O[C@H](C)CC(C)C)c1 513768580 YSFSWHMHIDMFHS-MRXNPFEDSA-N 448.541 4.050 5 20 IIBD O=C(c1ccn(-c2cccc(Br)c2)n1)N1CCCc2c1cccc2[N+](=O)[O-] 513843827 IMPISDKVGSSLFF-UHFFFAOYSA-N 427.258 4.136 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(Br)c(OC)cc2OC)c1 514950750 HILDVCLGTKVPCF-UHFFFAOYSA-N 425.235 4.026 5 20 IIBD CCS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 515626639 VSQZLEUPXVUKAL-UHFFFAOYSA-N 431.495 4.073 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccc(SCc2cccnc2)cc1)c1cccc([N+](=O)[O-])c1 516046802 IATTZJRUBQDVHJ-OAHLLOKOSA-N 436.493 4.098 5 20 IIBD CCN1CC[C@H](N(C)C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)C[C@H]1C 519038488 FGRUUOXEHAQMDY-ZBFHGGJFSA-N 434.587 4.456 5 20 IIBD COc1cc(OCC(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)ccc1[N+](=O)[O-] 520544094 JRQVRJRHEYFCGV-HXUWFJFHSA-N 445.475 4.412 5 20 IIBD CCCc1[nH]nc(C(=O)N[C@H](C)c2ccc(OCc3ccc(F)cc3)cc2)c1[N+](=O)[O-] 521889914 POBDGWZOVVMBTO-CQSZACIVSA-N 426.448 4.480 5 20 IIBD Cc1ccc(C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccn2)cc1 522371977 KTAYJFHDGKNAFB-LJQANCHMSA-N 431.901 4.214 5 20 IIBD COc1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)cc([N+](=O)[O-])c1OC 525005943 YWJGCSRYKGLIJI-UHFFFAOYSA-N 425.466 4.477 5 20 IIBD COc1ccc(OCCSc2nnc3cc(C)c4ccc(OC)cc4n23)c([N+](=O)[O-])c1 525109553 BENJXIMESPNYCX-UHFFFAOYSA-N 440.481 4.287 5 20 IIBD COc1ccc(-c2csc(CNC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)c2)cc1 531081692 ASCGCKPCYOGLTO-UHFFFAOYSA-N 426.450 4.033 5 20 IIBD CCc1nc(CN(C)[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cs1 532925498 PPTQAKNOZMBOHC-GFCCVEGCSA-N 431.543 4.196 5 20 IIBD COc1cc(C(=O)NCCc2cscn2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 533193637 PXUSHNUTYZMBKY-UHFFFAOYSA-N 433.873 4.478 5 20 IIBD Cc1cc(C)c(NC(=O)[C@@H](C)[S@@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c(C)c1 534061166 UQBGAYNNZNOJPE-MKTHODDLSA-N 441.509 4.451 5 20 IIBD O=C(Nc1ccccc1OCC1CC1)c1cc(I)cc([N+](=O)[O-])c1 535749981 ADTUSZSULIGCFV-UHFFFAOYSA-N 438.221 4.241 5 20 IIBD O=C(CC1(CC(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)CCCCC1)Nc1nccs1 536254093 ZMRRMFVBOWCBSZ-UHFFFAOYSA-N 442.501 4.236 5 20 IIBD C[C@@H](Nc1cnn(CCN2CCOCC2)c1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 537446818 WLZJFCKVTOSGEP-MRXNPFEDSA-N 427.530 4.025 5 20 IIBD O=[N+]([O-])c1ccc(CSCc2nnnn2-c2ccccc2Br)c(Cl)c1 541073623 FROMLWGYJHCTKI-UHFFFAOYSA-N 440.710 4.420 5 20 IIBD Cc1ccc(NC(=O)[C@H](Sc2nnc(C(F)F)n2C)c2ccccc2)c([N+](=O)[O-])c1 541173956 UCQCHXDWCTYKMN-OAHLLOKOSA-N 433.440 4.441 5 20 IIBD CC(C)n1nnnc1-c1ccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1F 542106183 HYVFBLRNKPPRQP-UHFFFAOYSA-N 439.451 4.165 5 20 IIBD CCc1ccc([C@@H](c2cccnc2)N(CC)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 545470977 VZOWWEBKYURLIE-QFIPXVFZSA-N 425.510 4.352 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2cccc(OCCN(C)C)c2)no1 545692787 VDRJAQXAAUTTOS-ZDUSSCGKSA-N 432.864 4.379 5 20 IIBD COc1ccc(C2(c3nc(Cc4ccc([N+](=O)[O-])c(OC)c4)no3)CCCC2)cc1OC 546491462 ZLPBMORISQSYCT-UHFFFAOYSA-N 439.468 4.455 5 20 IIBD CC(C)(C(=O)Nc1ccc(F)cc1I)c1ccccc1[N+](=O)[O-] 551739813 JKPUJCDLWOSCCI-UHFFFAOYSA-N 428.201 4.255 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2cccc(OC(F)(F)F)c2)c1 553436008 XELJAQVQPPFRSJ-UHFFFAOYSA-N 441.181 4.057 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1 554993186 OMQIRNBDZLXNFX-UHFFFAOYSA-N 441.465 4.047 5 20 IIBD O=C1NC2(CCCC2)C(=O)N1c1cccc(CN[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 555003340 XAWFSZFJXXRDBO-OAQYLSRUSA-N 448.523 4.075 5 20 IIBD CC[C@@H](C)n1ncc(NC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c1C 558862926 VOCRMPCGZSQRTJ-RHSMWYFYSA-N 431.493 4.275 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Sc3nncn3C)c(Cl)c2)c1 558868251 PKVYVDQSYYRKPO-UHFFFAOYSA-N 433.877 4.179 5 20 IIBD Cc1ccc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCCO2)s1 559179475 YTMFUXYWKFXDHQ-SFHVURJKSA-N 427.530 4.429 5 20 IIBD O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[C@H](c2ccccc2)C1 560217618 KEATZNGQUSYHQG-HOCLYGCPSA-N 446.301 4.138 5 20 IIBD CC[C@]1(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)OCCc2ccccc21 564543243 RZQAISGPLGRHKU-HHHXNRCGSA-N 426.516 4.149 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NC[C@@H]2COc3ccccc32)c([N+](=O)[O-])c1 567953806 CAFCVHCGYUPSCO-MRXNPFEDSA-N 432.432 4.201 5 20 IIBD Cc1ccc(C[C@H]2CCCN(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)C2)cc1 570653795 WJOSJQPVJKLWNS-ZJSXRUAMSA-N 449.551 4.298 5 20 IIBD COc1ccc([C@@H](C)NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)c1OC 572396300 LQVOEMMYZPYLGJ-QGZVFWFLSA-N 430.504 4.358 5 20 IIBD CC(C)(c1noc(CCNC(=O)c2ccc([N+](=O)[O-])cc2)n1)c1cccc2ccccc12 572418355 XCRJZLMHOYRIHZ-UHFFFAOYSA-N 430.464 4.429 5 20 IIBD CCNc1ccc(C(=O)Nc2nc(-c3ccc(C(=O)OC)cc3)cs2)cc1[N+](=O)[O-] 603453414 ZXBVUQCTKGVEMN-UHFFFAOYSA-N 426.454 4.189 5 20 IIBD CCCN(Cc1ccccc1F)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 603524511 BTOZNOZUSLWAGA-UHFFFAOYSA-N 429.477 4.066 5 20 IIBD CC[C@H]1CN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)CCO1 603553757 QTQOVCYLODNEQD-LPHOPBHVSA-N 448.317 4.148 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 603597694 PIYPCQNKVMALND-OAHLLOKOSA-N 447.438 4.304 5 20 IIBD CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1 604570035 LEXVEPXHDGEKPF-UHFFFAOYSA-N 441.875 4.167 5 20 IIBD CCOc1cc(NC(=O)N[C@@H](c2ccccc2)[C@H]2CCCO2)c([N+](=O)[O-])cc1OCC 608840539 KMYACLLAKAXPFL-NQIIRXRSSA-N 429.473 4.434 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCO[C@@H](c2cccc(F)c2)C1 608965301 UPVJRZIGOWIJSE-GOSISDBHSA-N 441.381 4.155 5 20 IIBD COc1ccc(CC(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)cc1[N+](=O)[O-] 609009588 FQIAMPYTMWBBBO-UHFFFAOYSA-N 444.875 4.287 5 20 IIBD O=C(Nc1n[nH]c2ccc(F)cc12)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 609876089 SDDCSHUQCYDZNC-UHFFFAOYSA-N 435.202 4.355 5 20 IIBD COc1ccc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2Br)c(OC)c1 610037748 VBWZCRCFOZEAID-KRWDZBQOSA-N 435.274 4.352 5 20 IIBD Cc1cccc(NC2CCN(C(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)CC2)c1 610159269 QXNKFASQGFDXAH-UHFFFAOYSA-N 447.539 4.482 5 20 IIBD Cc1nc2ccc(C(=O)NCCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2nc1C 610896255 GYKWZKAPGMVABJ-UHFFFAOYSA-N 433.390 4.016 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H](C)[C@@H]2CCCCO2)cc1[N+](=O)[O-] 611476480 HTZSBTLGGZQKAG-LIRRHRJNSA-N 428.510 4.235 5 20 IIBD Cn1ccnc1[C@@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccccc1 618632698 CPPIVFRYGKVFMV-QHCPKHFHSA-N 442.475 4.427 5 20 IIBD CCc1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)noc1-c1ccc(Cl)s1 619507384 LAXNYQYIFJJIIB-UHFFFAOYSA-N 443.890 4.337 5 20 IIBD CCN(Cc1ccc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1)C(C)C 726053564 KNSPFNOLYWPPAH-UHFFFAOYSA-N 433.892 4.274 5 20 IIBD CCOC(=O)c1oc2ccccc2c1CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 726880802 DHGQSBNAIWHESD-ZDUSSCGKSA-N 428.466 4.315 5 20 IIBD Cc1cc(C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)c(N)c([N+](=O)[O-])c1 727900108 GLEVCOOKZOGVHR-UHFFFAOYSA-N 435.461 4.472 5 20 IIBD NC(=O)c1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2OCc2ccccc2)s1 728160851 ACUHREYTQWECPT-UHFFFAOYSA-N 431.857 4.240 5 20 IIBD COc1ccccc1OCCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 729376641 MGNDPQAYXRSACN-UHFFFAOYSA-N 427.501 4.039 5 20 IIBD C[C@H](OC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)c1ccc(C(C)(C)C)cc1 731101068 JLOOSKFGXAPUPL-ZDUSSCGKSA-N 446.887 4.090 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 731481931 HRYJOMQPKHAYFK-QFIPXVFZSA-N 447.919 4.031 5 20 IIBD CCOc1cc(C(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])cc1OC 731835042 ZMQLETLIRGLHSS-OAQYLSRUSA-N 448.903 4.241 5 20 IIBD CCCCN1C(=O)c2ccc(C(=O)OCc3cnc(-c4ccc([N+](=O)[O-])cc4)o3)cc2C1=O 735442724 GYCQHXYMXRKNAP-UHFFFAOYSA-N 449.419 4.003 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1occc1CS(=O)(=O)c1ccccc1 735642595 AGTCQVTWHMDFJE-UHFFFAOYSA-N 435.841 4.343 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)[C@@H](C)SCC(=O)Nc1ccc(F)cc1 735644781 RRUWQOIUHBQHPN-LLVKDONJSA-N 426.853 4.362 5 20 IIBD O=C(COCc1nc2ccccc2s1)OCc1ccc([N+](=O)[O-])cc1Br 739580193 TVHHMUKDSGCTOV-UHFFFAOYSA-N 437.271 4.227 5 20 IIBD O=[N+]([O-])c1cn(CN2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)nc1-c1ccncc1 742148654 YQQVOEUELAZKEX-SFHVURJKSA-N 434.283 4.191 5 20 IIBD CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 742614508 VPSONPJSUNGCJI-ZDUSSCGKSA-N 431.411 4.085 5 20 IIBD CCn1c(CCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)nc2ccccc21 744093332 QHMVOOSVUJLPJI-UHFFFAOYSA-N 435.528 4.173 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)C1(c2cccc(C)c2)CCCC1 744925855 NJFFIXYVRKQVSG-MRXNPFEDSA-N 426.469 4.294 5 20 IIBD O=C(Nc1ccc(OC(=O)[C@H](O)c2ccccc2)cc1)c1cc([N+](=O)[O-])ccc1Cl 746106243 IPPBIQVXBMLELT-LJQANCHMSA-N 426.812 4.140 5 20 IIBD COc1cc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)ccc1OC(C)C 747639237 FJAGDMRFKHYLKY-UHFFFAOYSA-N 427.482 4.444 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OC1CCN(c2nncc3ccccc23)CC1 747785270 ZBFVBENRXFEZHW-OAHLLOKOSA-N 438.509 4.231 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](C)[C@H](O)c1c(F)cccc1Cl 748390981 ILZKKTMXINETIF-KEYDSSBGSA-N 431.247 4.046 5 20 IIBD C[C@H](OC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 748910186 KXYZMNLCSKYJDK-TUKIKUTGSA-N 433.258 4.031 5 20 IIBD Cc1c(C(=O)O[C@@H](C(=O)Nc2ccccc2F)C(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748946253 FKFYAKRHIWVANK-GOSISDBHSA-N 433.392 4.079 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@@H](Cc1ccccc1)c1cccs1 749741070 DETFSOPNDHXUHQ-INIZCTEOSA-N 429.885 4.348 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1 750154062 QHFNOIUDUUFKMK-UHFFFAOYSA-N 446.312 4.184 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@@H]1C[C@@H](O)c1cccs1 750997870 DZAUKENNZVYVRE-BXUZGUMPSA-N 427.429 4.378 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)c2c(F)ccc([N+](=O)[O-])c2F)c(Br)c1 752561325 GTMNFWKGGXKMQB-VIFPVBQESA-N 443.200 4.128 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])c(Cl)c3)C[C@H]21 752580128 MHUVIXJOHQFBIL-JGGQBBKZSA-N 438.912 4.405 5 20 IIBD C[C@H](OC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccc(N2CCCC2)cc1 755062369 MKAHJVWIMRUTNC-GJZGRUSLSA-N 429.448 4.008 5 20 IIBD O=C(COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)Nc1ccc(N2CCCCCC2)cc1 756766966 FOWBRRUNFPVKQC-UHFFFAOYSA-N 436.468 4.252 5 20 IIBD CCOC(=O)c1cc(NCc2ccc(N(C)C(=O)c3ccncc3)cc2)ccc1[N+](=O)[O-] 758453204 YRNYWZAFTJCQAJ-UHFFFAOYSA-N 434.452 4.055 5 20 IIBD Cc1cc(C(=O)COC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c(C)n1Cc1ccco1 758734865 IHNKBZHTILQGIP-UHFFFAOYSA-N 435.436 4.104 5 20 IIBD Cc1cc(C)n(-c2ccc(C(=O)O[C@@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)cc2F)n1 759947425 KAVUHFMQKSLNHP-RTBURBONSA-N 427.436 4.074 5 20 IIBD O=C(c1cnn(-c2ccccc2)c1Br)N(Cc1ccccc1[N+](=O)[O-])C1CC1 760400672 NDRRKEDZYYNCDY-UHFFFAOYSA-N 441.285 4.348 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 760541266 BQZOWYKVNJDHSC-JOCHJYFZSA-N 445.472 4.330 5 20 IIBD CCOC(=O)[C@H](c1ccc(Cl)cc1)N(CC)C(=O)c1cc(F)c([N+](=O)[O-])cc1F 763391856 CWWXDOLCUAGDGQ-KRWDZBQOSA-N 426.803 4.293 5 20 IIBD CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1 764861351 GNPSBVOJZZFVDC-UHFFFAOYSA-N 441.303 4.183 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)O[C@@H]2CCOC3(CCOCC3)C2)cc1 765694030 UTKRIEPVGBPMJA-LJQANCHMSA-N 443.452 4.281 5 20 IIBD C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 766719983 MALNODWPOLEBEM-XIKOKIGWSA-N 443.397 4.183 5 20 IIBD CC(C)N(CC1CCC1)C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 767127033 JSJHGXQXRGZFMN-UHFFFAOYSA-N 432.498 4.013 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]1c1cc(F)cc(Br)c1 767152937 FQVTXUYCKLBMQH-QGZVFWFLSA-N 447.264 4.210 5 20 IIBD CC(=O)[C@@H](Cc1ccc(F)cc1F)OC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 768642903 LAZFOWCJHAIQMX-ADLMAVQZSA-N 427.787 4.037 5 20 IIBD CC(C)Cn1ncc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1C1CC1 768649697 VQCPDGMWMVFQNN-GFCCVEGCSA-N 434.880 4.162 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)C[C@H](C)C(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 777215463 JIZNJCDVMCNXKA-JSGCOSHPSA-N 432.860 4.336 5 20 IIBD COc1cc(-c2nc(COC(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)cs2)ccc1O 778166819 WCAKSVSIMGIVDG-UHFFFAOYSA-N 436.392 4.268 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)C[C@](C)(O)c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 778348607 YMAZGQCNXVPAFR-NOZRDPDXSA-N 448.475 4.424 5 20 IIBD O=C(O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1cn(-c2cccc(Cl)c2)nn1 781537590 GDDGTGMUCPVKAC-FQEVSTJZSA-N 435.827 4.170 5 20 IIBD Cc1ccc(CN(C(=O)COC(=O)c2cccc([N+](=O)[O-])c2Br)C2CC2)cc1 781675746 YBGJBWLCGAPDPB-UHFFFAOYSA-N 447.285 4.014 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)Cc1csc(NC(=O)c2ccoc2C)n1 782360958 GKYYAVTZADVUKT-ZDUSSCGKSA-N 429.454 4.360 5 20 IIBD O=C(C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1)OCc1ccc([N+](=O)[O-])c(F)c1 782863476 UNEIWNWTDRUOSL-FQEVSTJZSA-N 438.411 4.044 5 20 IIBD CC(C)(C)c1csc(C2CCN(CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 783909619 BYPLVQQKSUSKMO-UHFFFAOYSA-N 437.587 4.002 5 20 IIBD CCN(Cc1ccccc1)C(=O)[C@@H](C)OC(=O)c1sc(Br)cc1[N+](=O)[O-] 785031955 MEVWASZPYVJGHM-LLVKDONJSA-N 441.303 4.013 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)O[C@@H](C)c3ccncc3)cc2)cc1[N+](=O)[O-] 785545213 TZSOJNDOENTMFS-HNNXBMFYSA-N 441.465 4.017 5 20 IIBD CC1CCN(c2nnc(SCc3ccc([N+](=O)[O-])c(F)c3)n2C[C@H]2CCCO2)CC1 787492269 ZLPNUYDFIDMSGG-MRXNPFEDSA-N 435.525 4.033 5 20 IIBD O=[N+]([O-])c1ccc(CSc2nnc(-c3cccnc3)n2Cc2ccco2)c([N+](=O)[O-])c1 789750461 SIMOLCHBIDYMPK-UHFFFAOYSA-N 438.425 4.090 5 20 IIBD O=C(NC[C@@H]1CCCN(c2ccccc2)C1)c1cc(F)cc([N+](=O)[O-])c1Br 790230055 QIUJQZUMPUMXAY-ZDUSSCGKSA-N 436.281 4.143 5 20 IIBD CC(C)CN(C(=O)c1ccn(CC(F)F)n1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 790974836 ZSNIYKYFYZSQCC-UHFFFAOYSA-N 435.456 4.483 5 20 IIBD CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 791131860 JBOYVGOSOXDTDN-LJQANCHMSA-N 426.847 4.287 5 20 IIBD COC(=O)[C@H](Cc1ccc(C)cc1)S[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 794457652 SYIQZZRHCQVKGZ-UGSOOPFHSA-N 436.917 4.401 5 20 IIBD O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)Nc2cccc(COCc3ccco3)c2)c1 795299965 OMGCMXJUNZOKBW-UHFFFAOYSA-N 440.836 4.498 5 20 IIBD O=C(OCc1ccc(Cl)cc1-n1cncn1)c1ccc2[nH]c3ccccc3c(=O)c2c1 795597899 PUKUQDLKCQINFV-UHFFFAOYSA-N 430.851 4.272 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Oc1cc(F)c([N+](=O)[O-])cc1Cl 796207533 HDEZRXRSYLHJBY-UHFFFAOYSA-N 425.177 4.025 5 20 IIBD CN(C)C(=O)Sc1cc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)ccc1Cl 805435361 HGYMJRUGYSEBPN-UHFFFAOYSA-N 445.888 4.460 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCN(c2ccnc3ccccc23)CC1 808074910 FJXJPUMWBUWRRF-UHFFFAOYSA-N 445.523 4.096 5 20 IIBD COc1cncc(COC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)c1 808485547 VGGNUTCXFXUWLA-UHFFFAOYSA-N 438.461 4.308 5 20 IIBD C[C@@H](OC(=O)c1nc2ccccc2cc1Br)C(=O)Nc1ccccc1[N+](=O)[O-] 808702609 KDSYGDVZKXFVMR-LLVKDONJSA-N 444.241 4.090 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1cccc2ccccc12 810345160 QZNVRWRGZXRMDH-GFCCVEGCSA-N 442.269 4.326 5 20 IIBD Cn1cc(C(=O)OCC(=O)c2ccc(C(F)(F)F)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 812583613 IRLGEVJPBFUPEO-UHFFFAOYSA-N 433.342 4.054 5 20 IIBD Cc1cc(N2CCCC2)ccc1NC(=O)COC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl 815407077 GURIADIMGHVJCV-UHFFFAOYSA-N 431.876 4.261 5 20 IIBD CC(C)[C@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(=O)NCc1ccccc1F 877877475 CEAGUSMCISTREH-IBGZPJMESA-N 430.457 4.446 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(Cn3cc(-c4ccc(Cl)cc4)oc3=S)CC2)cn1 914784434 ZXEVJSRUXNGVGY-UHFFFAOYSA-N 431.905 4.214 5 20 IIBD Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c(Cl)c1 915468333 KDYLWKNCIZORCS-CQSZACIVSA-N 442.859 4.235 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Oc2cccc(Oc3ccccn3)c2)cc1[N+](=O)[O-] 916861659 SCRGMROWWUODEE-UHFFFAOYSA-N 449.448 4.281 5 20 IIBD COc1ccc(CN/C=C2/C(=O)N(c3ccc(C)cc3)C(=O)c3ccccc32)cc1[N+](=O)[O-] 917606086 HVIFSRDZUCBDJO-RCCKNPSSSA-N 443.459 4.230 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 917802998 FLWWVHQPBDPFLF-UBLKFNIESA-N 428.448 4.290 5 20 IIBD CC1=C(C(=O)N(C)C)[C@H](c2ccc([N+](=O)[O-])o2)NC(=S)N1c1cccc(C(C)C)c1 918132071 VFCYVEVXQISJLT-IBGZPJMESA-N 428.514 4.109 5 20 IIBD O=C(N[C@H](Cc1ccccc1)c1ccccc1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 918556187 XFOHNVQVIUYOEA-SIKLNZKXSA-N 447.466 4.187 5 20 IIBD CCc1cc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 920486786 OWQXHHBBDSJODW-INIZCTEOSA-N 441.532 4.355 5 20 IIBD O=C(OCc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 920575127 RKUGBCNSTFRUSB-CYBMUJFWSA-N 427.215 4.137 5 20 IIBD Cc1ncccc1CC(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 1321815654 NERCQQJSBJRNFD-UHFFFAOYSA-N 425.828 4.352 5 20 IIBD CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1N 1325247495 PNNMHRMEXFNRLN-UHFFFAOYSA-N 432.196 4.231 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])NC1(c2ccc(NC(=O)c3cnco3)cc2)CCC1 1786528366 SVIQVSDCTOEIPN-IZZDOVSWSA-N 432.436 4.044 5 20 IIBD Cn1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(F)cc([N+](=O)[O-])c4)CCC3)cc2)c1 1787238224 LGPFTQOFUPCXJG-UHFFFAOYSA-N 436.443 4.134 5 20 IIBD CCCC(=O)Nc1ccc(C2(NC(=O)Cc3ccc(OC)cc3[N+](=O)[O-])CCC2)cc1 1787697770 ZEJSLMFJFSRYAB-UHFFFAOYSA-N 425.485 4.080 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3n[nH]cc3[N+](=O)[O-])CCC2)cc1)c1ccc2occc2c1 1789049904 COQUYUFFLVKPPQ-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(O)c([N+](=O)[O-])c4)cc3)CCC2)cn1C 1790619393 HXEWRWFBAVBALS-UHFFFAOYSA-N 448.479 4.009 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3onc4ccccc34)cc2)CCC1)c1ccc([N+](=O)[O-])o1 1790903996 NPYSFGFLUVZFKO-UHFFFAOYSA-N 446.419 4.391 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]3F)CCC2)cc1 1791521248 CKUDOSDLTJMVED-SJORKVTESA-N 443.500 4.179 5 20 IIBD Cc1csc(C(=O)N2CCCC3(CCN(C(=O)c4cc(F)cc([N+](=O)[O-])c4)CC3)C2)c1 1806242189 BGSNIMGLCNCWHQ-UHFFFAOYSA-N 445.516 4.262 5 20 IIBD CC(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)CC1 1826305966 VSCAVOLKPFRRHJ-JOCHJYFZSA-N 441.572 4.292 5 20 IIBD CC1=CC[C@@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)CC1 1828343585 IDUFSIWMFVDTOG-RTBURBONSA-N 429.517 4.168 5 20 IIBD O=C(C1CCCC1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830617285 WZFZLQLDYPQIRC-FQEVSTJZSA-N 431.508 4.157 5 20 IIBD CC/C=C(\C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc(F)ccc2[N+](=O)[O-])CC1 1832888407 INIDLUPWPQXOBY-PKWFBFISSA-N 445.535 4.252 5 20 IIBD Cc1c(C(=O)N2CC3(CCCN3C(=O)[C@@H](F)c3ccccc3)C2)cc(Cl)cc1[N+](=O)[O-] 1841821607 VAHWCQUNRPXPLH-IBGZPJMESA-N 445.878 4.084 5 20 IIBD CCOc1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C(C)C)cc1OCC 16709376 XTGOZNBHARGJGC-FQEVSTJZSA-N 431.445 4.428 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 19285072 FVPMTYZKVIVPEA-ZDUSSCGKSA-N 428.441 4.016 5 20 IIBD CCOC(=O)c1sc2cccc(F)c2c1CNc1cc([N+](=O)[O-])ccc1NCCO 22250770 UVZVJDFZJMJQKG-UHFFFAOYSA-N 433.461 4.142 5 20 IIBD CCN(Cc1ccccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(C)=O 27370988 ILYIGQUFUFWDKW-UHFFFAOYSA-N 427.504 4.162 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)ccc1O 32797929 JAUIVCMDSOOIGG-UHFFFAOYSA-N 441.490 4.302 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1cc(Br)cs1 107972405 XPUBXDKNUJXDSU-UHFFFAOYSA-N 427.323 4.295 5 20 IIBD O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 108168125 OPBKJBGBXIPORW-UHFFFAOYSA-N 445.479 4.201 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2C(=O)N2CCCC[C@@H]2C)c1 216401697 MMFFUNNUUJPXEO-HNNXBMFYSA-N 431.514 4.027 5 20 IIBD Cc1ccc(-n2c(Sc3ncc(Cl)cc3[N+](=O)[O-])nc3ccccc3c2=O)nc1 301743143 MISQVSKTAJZZBW-UHFFFAOYSA-N 425.857 4.197 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)s1 301923540 FVMCPNRISQDULK-JTQLQIEISA-N 437.326 4.024 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(Nc2cccc(C[S@](=O)C3CCCCC3)c2)s1 302143358 FZIFPIAOOHMCEI-MHZLTWQESA-N 442.584 4.385 5 20 IIBD CCO[C@H](C)c1nc(CN2CCN(c3ccnc4c([N+](=O)[O-])cccc34)CC2)cs1 432311517 FZVUGKIYOXMLNL-OAHLLOKOSA-N 427.530 4.019 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H](c3ccccc3)c3ccccc32)c2ncccc12 435732263 NWIZOIKCXAMZDU-IBGZPJMESA-N 431.473 4.484 5 20 IIBD O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 436163985 SOXFEQHWSQDDLU-UHFFFAOYSA-N 428.452 4.233 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1-c1nc(-c2ccc(O)cc2F)no1 436876460 ZASPBECOAKWBBA-UHFFFAOYSA-N 441.156 4.070 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(NC(=O)NC2CC2)cc1 437145463 MKYAOOIWTLFXRN-LLVKDONJSA-N 436.390 4.389 5 20 IIBD O=C(Nc1cccc(OC2CCCC2)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 437551789 ZGXKMLKECQCYFI-UHFFFAOYSA-N 435.383 4.095 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1cc(-c2ccccc2)nn1C(C)C 438668246 NCUMWXNNEMQHPH-UHFFFAOYSA-N 449.511 4.415 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N(CC(F)F)c1cccc(Cl)c1 440659821 HEERXBFJOFRFIV-UHFFFAOYSA-N 439.802 4.235 5 20 IIBD CC(C)(C)c1ccc(C(C)(C)NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 443943310 FICVSKRGWOQRDY-UHFFFAOYSA-N 431.920 4.327 5 20 IIBD CN1CCC(Nc2ccccc2NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 446160045 CVXCLFJWGXGEOM-UHFFFAOYSA-N 447.333 4.045 5 20 IIBD CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 446534492 AECLTIPTEBRYIY-HNAYVOBHSA-N 449.515 4.143 5 20 IIBD CCN(C(=O)c1cc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])ccc1Cl)C(C)C 447258520 RKUIFYMXECDDTJ-UHFFFAOYSA-N 439.921 4.228 5 20 IIBD COc1cc(CSc2ncnc3c2cnn3Cc2ccccc2)c([N+](=O)[O-])cc1F 463435948 MDYFDBUJQYUPLN-UHFFFAOYSA-N 425.445 4.223 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C[C@H]1C[C@H]2C=C[C@H]1C2)C1CCN(C)CC1 464696498 ZRAFTPLWAGMNJW-MYGLTJDJSA-N 425.573 4.299 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N(C)CCOCc2ccccc2)cc1[N+](=O)[O-])c1ccccn1 465108544 GGWPYLRIHASLLX-GOSISDBHSA-N 434.496 4.452 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)Nc2ccccc2OCC(=O)Nc2cccnc2)cc1[N+](=O)[O-] 467656920 PDMOLDBTLPRBGL-MRXNPFEDSA-N 449.467 4.198 5 20 IIBD O=C(Nc1ccc(-c2nc(=O)o[nH]2)cc1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 468085678 KEYZWIXYLLBNDI-UHFFFAOYSA-N 434.433 4.342 5 20 IIBD CN(C[C@H](O)C(F)(F)F)C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 468330627 HNXGWFRDPAYBDP-AWEZNQCLSA-N 434.823 4.395 5 20 IIBD CC[C@H](C)Sc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)OC)c(C)c1 468353126 PDSRCLAPFZKFOU-ZDUSSCGKSA-N 438.527 4.381 5 20 IIBD COc1ccc(CNC(=O)Nc2nnc(-c3cc4ccccc4o3)s2)cc1[N+](=O)[O-] 470525900 MANPOJHYNBYSIT-UHFFFAOYSA-N 425.426 4.190 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccnn1Cc1ccc(Br)cc1 470751830 QMCSPHNCKSWFFJ-UHFFFAOYSA-N 445.273 4.253 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@@]2(C1)OCc1ccccc12 471597794 HLGNDIQWULWCKP-IBGZPJMESA-N 438.427 4.364 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCc1ccc(Oc2cccnc2)c(F)c1 472354338 UELROVKLSWZLBN-UHFFFAOYSA-N 438.459 4.366 5 20 IIBD CC(C)[C@@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ncc[nH]1 473286039 AZWGVPVRKLXHRC-JOCHJYFZSA-N 444.495 4.227 5 20 IIBD C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 473528094 GWOQUJKGDTWJAG-CAMPQQCRSA-N 429.523 4.289 5 20 IIBD COc1cc(N[C@H]2CCCN(C(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)C2)cc(OC)c1 475737668 MLIWVGPPHBLBSP-CVEARBPZSA-N 445.541 4.196 5 20 IIBD CCOc1cc(OCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)ccc1[N+](=O)[O-] 478723290 XARRFQDMQYBGQM-QGZVFWFLSA-N 441.465 4.405 5 20 IIBD O=C(c1cc(NCCc2cccc(OCC(F)(F)F)c2)ccc1[N+](=O)[O-])N1CCCC1 481056469 TWZLFTDKRMTDPT-UHFFFAOYSA-N 437.418 4.427 5 20 IIBD COc1cc(OC[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)ccc1[N+](=O)[O-] 481708386 BQBACNNUATXEKE-IBGZPJMESA-N 445.418 4.428 5 20 IIBD COc1ccc(-c2nnc(NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)s2)cc1 481955602 HOIRCLMNPWMWOJ-UHFFFAOYSA-N 425.470 4.318 5 20 IIBD CCN(Cc1cccc(Cl)c1)C(=O)[C@H](CCSC)NC(=O)c1cccc([N+](=O)[O-])c1 482340326 ALXBKQJPPOPEQF-IBGZPJMESA-N 449.960 4.148 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] 485146398 QDLWVYHPVSMROE-UHFFFAOYSA-N 443.931 4.073 5 20 IIBD COc1cc(C(=O)NC(C)(C)CCC(=O)O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 485594347 BCQAUGDUWAEPOQ-UHFFFAOYSA-N 436.848 4.422 5 20 IIBD CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1sc(Br)cc1[N+](=O)[O-] 485746594 DKGOEAFREDHARB-AWEZNQCLSA-N 440.363 4.305 5 20 IIBD O=C(N[C@H]1CSc2ccc(Br)cc21)c1ccn(-c2ccccc2[N+](=O)[O-])n1 487685888 DHYHNORSMAGDFR-AWEZNQCLSA-N 445.298 4.120 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1cccc(OC[C@H]2CCCO2)c1 487891423 VXLKYZOCUCUMLT-GOSISDBHSA-N 439.390 4.493 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 488610660 NVXLBOGLFQEPON-UHFFFAOYSA-N 435.527 4.197 5 20 IIBD COc1ccc(OCCSc2nnc(-c3ccccn3)n2-c2ccccc2)c([N+](=O)[O-])c1 489400344 VZWNWKFIWGFQMI-UHFFFAOYSA-N 449.492 4.417 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1 489544429 CGSAAYJGNXYMGG-AWEZNQCLSA-N 427.482 4.479 5 20 IIBD Cc1ccc(-n2nc(C)c(NC(=O)CN(Cc3cccc([N+](=O)[O-])c3)C3CC3)c2C)cc1 490024795 IBAILEZZPJOPIG-UHFFFAOYSA-N 433.512 4.309 5 20 IIBD Cc1ccc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1S(=O)(=O)C1CCCC1 491164819 BVOMRJNMRHLXBH-UHFFFAOYSA-N 441.509 4.213 5 20 IIBD Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)CC3 491533349 YKNYVUAXFBJTPT-SFHVURJKSA-N 432.524 4.275 5 20 IIBD CCOC(=O)C(C)(C)n1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)cn1 493903969 UJTPKFVBQONNRR-UHFFFAOYSA-N 434.518 4.090 5 20 IIBD O=C(NCc1ccc(Br)cc1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 494905147 UJYAWCSXDSHFQT-UHFFFAOYSA-N 432.196 4.376 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N(CCc1ccccc1)Cc1cccnc1 497773706 MQLZVJGIIVVFPQ-UHFFFAOYSA-N 431.901 4.077 5 20 IIBD Cc1cc(C(=O)N[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1 498483215 XOWIACGPLXHVCU-GOSISDBHSA-N 435.402 4.016 5 20 IIBD Cc1ccc(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cn1 500071542 XDAWHZOQXYRGDI-UHFFFAOYSA-N 427.464 4.010 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCC(COc2ccccc2)CC1 501596936 RTBCYBGMKXOPJP-UHFFFAOYSA-N 438.402 4.467 5 20 IIBD COc1ccc(Oc2cc(CNC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)ccn2)cc1 501896708 DWLDNURMLMVBHZ-UHFFFAOYSA-N 448.479 4.321 5 20 IIBD O=C(c1cccc(-c2noc(C(F)(F)F)n2)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 502088813 NGIDKXLABIFKRY-UHFFFAOYSA-N 432.358 4.468 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 503201020 PDZKHVVHZVBHEW-FQEVSTJZSA-N 445.928 4.089 5 20 IIBD COc1c(C)cnc(CN2CCC(N(C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)c1C 503523514 QAZHMMFJPFXNHI-UHFFFAOYSA-N 441.532 4.052 5 20 IIBD CCc1ccc([C@H](NCC(=O)N[C@H]2CCOc3ccccc32)c2ccc([N+](=O)[O-])cc2)o1 503921576 WHOZKKZZPXBUIJ-GBXCKJPGSA-N 435.480 4.069 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(Oc3cccc(C(=O)N4CCc5ccccc5C4)c3)cc2N1 507026844 IAYUTLOGESNLFG-UHFFFAOYSA-N 443.459 4.470 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N(Cc1c(Cl)cccc1Cl)C1CC1 508994920 FSLZDRMKPBJVRA-UHFFFAOYSA-N 426.231 4.170 5 20 IIBD O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 513598053 PCPUTELINZJSDG-UHFFFAOYSA-N 438.427 4.226 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CC=C(c2ccccc2)C1 513644733 YJHXHIWECWRXIM-UHFFFAOYSA-N 434.233 4.047 5 20 IIBD Cc1ccc(CN[C@@H](c2ccc([N+](=O)[O-])cc2)c2nccn2C)c(OC[C@@H]2CCCO2)c1 513713871 UZOQDUPREWHTBZ-GMAHTHKFSA-N 436.512 4.074 5 20 IIBD COc1ccc(CNC(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)cc1[N+](=O)[O-] 515830695 MENRZPOUKZVJBO-INIZCTEOSA-N 436.468 4.138 5 20 IIBD C[C@@H]1CCC[C@](CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)(N(C)C)C1 518807501 SUWOQEKJYXPSDO-GGUMNFRJSA-N 439.560 4.403 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 520223382 ANYVXIKUXSXKDU-UHFFFAOYSA-N 449.854 4.489 5 20 IIBD CC(C)(C(=O)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)n1cc([N+](=O)[O-])cn1 522899865 VZPACWHMPVHAAB-UHFFFAOYSA-N 440.300 4.125 5 20 IIBD O=C(c1cccnc1SCC1CCCCC1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 522923255 QRLLDIBIMPOPTN-QGZVFWFLSA-N 441.557 4.384 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)NCCCCSc1ccccc1Br 522933927 HAMFQKNIIGKQDQ-UHFFFAOYSA-N 439.331 4.425 5 20 IIBD Cc1cc(CN(C)C(=O)Cn2ccc([N+](=O)[O-])n2)cc(C)c1OCc1ccccc1Cl 523726655 IASMIMIJEVHJOT-UHFFFAOYSA-N 442.903 4.299 5 20 IIBD O=C(Nc1ccc(OCC2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1Br 524256305 WCRIQCKLIYFNLL-UHFFFAOYSA-N 435.274 4.415 5 20 IIBD Cc1cc(C)n(-c2ccc(CCNC(=O)NCCCCc3ccc([N+](=O)[O-])cc3)cc2)n1 525355066 SNXPZKCDJCCFOZ-UHFFFAOYSA-N 435.528 4.262 5 20 IIBD CC1(C)CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c2cccc(Cl)c21 530671856 IMYUSLAFTLPYSX-AWEZNQCLSA-N 433.917 4.239 5 20 IIBD CN(C)CC(=O)Nc1ccc(NCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)cc1 532892440 SRSBOSWPLGXTQY-UHFFFAOYSA-N 433.512 4.475 5 20 IIBD CCC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 535501135 BHGZDXSFMDWSLH-ZDUSSCGKSA-N 439.921 4.109 5 20 IIBD C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cc(I)cc([N+](=O)[O-])c1 535736585 SLZVUTRTZUUNAT-JTQLQIEISA-N 428.201 4.172 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1cc(Br)ccc1N1CCCC1 536260255 MHWCSUYWLDOYPG-UHFFFAOYSA-N 433.306 4.322 5 20 IIBD CC1CCN(c2ccc(C(=O)NC[C@H](C)c3nc(-c4ccccc4)no3)cc2[N+](=O)[O-])CC1 536343019 AEFVVVOVXJSULL-KRWDZBQOSA-N 449.511 4.415 5 20 IIBD O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1cc2c(cc1[N+](=O)[O-])OCO2 538791774 NKHFKHJGZPHEOX-UHFFFAOYSA-N 444.272 4.106 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(CN2CCO[C@H](C)C2)c1 540435337 IGRDAMBOYYDAAT-QGZVFWFLSA-N 443.569 4.246 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N[C@H](c2nc(-c3ccncc3)no2)C(C)C)c1Br 544395939 YVKIHZLUJWOOFL-AWEZNQCLSA-N 433.266 4.315 5 20 IIBD O=C(NCc1ccco1)c1cccc(-c2noc(C(F)(F)c3ccc([N+](=O)[O-])cc3)n2)c1 544947288 MMPSBNHOMRIAEM-UHFFFAOYSA-N 440.362 4.308 5 20 IIBD C[C@@H](Nc1ccc(-c2nc(-c3ccc(NC(N)=O)cc3)no2)cc1[N+](=O)[O-])c1ccccn1 546311673 LYMWWTKSQFFDBQ-CYBMUJFWSA-N 445.439 4.371 5 20 IIBD Cc1cc(C)cc(C(=O)N2CCC[C@H](c3nc(CCNc4ccccc4[N+](=O)[O-])no3)C2)c1 546377482 VXTOBGVRJVZLEB-SFHVURJKSA-N 449.511 4.269 5 20 IIBD CC(C)OC[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CCO1 546735655 BSXHRQXNIWYIGF-MRXNPFEDSA-N 439.306 4.243 5 20 IIBD Cc1c(-c2nc(CS(=O)(=O)c3cc(Cl)ccc3Cl)no2)cccc1[N+](=O)[O-] 546948672 UEXRQBULTNTZNQ-UHFFFAOYSA-N 428.253 4.234 5 20 IIBD CN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCSc2ccc(Br)cc21 552384805 BBVKSSJEYSTHTR-HNNXBMFYSA-N 436.331 4.465 5 20 IIBD CC(C)[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Cl)cc1 553225302 MYOXVTJGXWFFMP-SJORKVTESA-N 449.960 4.470 5 20 IIBD COc1ccc(-c2nc(Sc3c(F)cccc3[N+](=O)[O-])n[nH]2)cc1Br 557684704 PMNWTPRAHDEBMH-UHFFFAOYSA-N 425.239 4.441 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 559539637 NYEIYEGNABNLNK-UHFFFAOYSA-N 446.301 4.157 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1c[nH]c2cc(C)ccc12 560293084 BYHHYJYZUWELSR-UHFFFAOYSA-N 441.509 4.012 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCC[C@@]3(O)C[C@H]4CC[C@H]3C4)cc2[N+](=O)[O-])n1 560704468 YJAYARPZDMAAON-ZQGRQUNCSA-N 433.555 4.182 5 20 IIBD CCCCN(C(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1)[C@H]1CCC[C@H](C)C1 569161927 MZUZHPPJLQKJKI-RXVVDRJESA-N 444.576 4.084 5 20 IIBD CC(C)(CC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)Cc1ccc(Cl)cc1 570596629 HVJWUAPGVWCQPP-UHFFFAOYSA-N 443.931 4.192 5 20 IIBD CCOC(=O)C(C)(C)c1csc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)n1 580236213 MFVADNYOUZOVDK-UHFFFAOYSA-N 449.532 4.091 5 20 IIBD CCCS(=O)(=O)c1ccccc1S[C@H](C)c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 580383572 LJHHZGULMPUPBD-GFCCVEGCSA-N 448.526 4.264 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2nccn2Cc2ccc(Br)cc2)c1 582678603 ICRHMMYIQUIHSF-UHFFFAOYSA-N 445.273 4.253 5 20 IIBD O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 603643044 UFKCOTJYEMNTEI-UHFFFAOYSA-N 429.786 4.016 5 20 IIBD O=C(Nc1ccnn1Cc1ccc(F)cc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 603739591 DVYXNRPPRDSQHB-UHFFFAOYSA-N 438.337 4.172 5 20 IIBD COCCN(Cc1ccc(C)cc1C)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 604235767 BZGZTIZWGSCFBE-UHFFFAOYSA-N 440.418 4.442 5 20 IIBD CC(C)(C)NS(=O)(=O)c1ccccc1CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 608836873 WUZGWXNHPVRYEA-UHFFFAOYSA-N 443.525 4.221 5 20 IIBD CN(C)CCN(C[C@H]1CCCO1)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 609187964 UENGKHQPBVDZNJ-LJQANCHMSA-N 447.919 4.223 5 20 IIBD Cc1noc(C)c1CCN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 609323401 LBKIQJKORKBVAJ-FQEVSTJZSA-N 428.876 4.365 5 20 IIBD Cc1ccc(C[C@@H](NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c2ccccn2)cc1 609676295 WBRRQDGXFYHLFE-HXUWFJFHSA-N 425.510 4.177 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CCCN(Cc2cccs2)C1 609730658 CUCBUAISYWGYQQ-OAHLLOKOSA-N 437.949 4.107 5 20 IIBD COc1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc([N+](=O)[O-])c1OC 610172488 GGVNOBVAFDIYJZ-UHFFFAOYSA-N 445.815 4.363 5 20 IIBD Cc1cc(NC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)ccc1C(F)(F)F 610367213 VUIFBPRLVZWNHI-UHFFFAOYSA-N 432.358 4.029 5 20 IIBD COc1cc(CN2CCC(CCCN3CCCC3)CC2)c([N+](=O)[O-])cc1OC(F)F 611038867 VWALNKQQGFVUFV-UHFFFAOYSA-N 427.492 4.293 5 20 IIBD COCC(=O)Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)c1 611200253 UJJPXUKRTYCZIM-UHFFFAOYSA-N 443.525 4.144 5 20 IIBD O=C(NC1CC1)c1ccc(CN(Cc2ccco2)c2ncnc3ccc([N+](=O)[O-])cc23)cc1 611707478 IHLPKFALTAFOQJ-UHFFFAOYSA-N 443.463 4.230 5 20 IIBD COc1ccc2c(c1)OC[C@H](c1nc(Cc3ccc([N+](=O)[O-])cc3Br)no1)C2 612956081 NOWWJPCXGIVOJC-CYBMUJFWSA-N 446.257 4.058 5 20 IIBD CSc1cccc(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1[N+](=O)[O-] 614394248 MQQZXJQJHUSNET-UHFFFAOYSA-N 439.459 4.294 5 20 IIBD O=C(CC1CCCCC1)NC1CCC(C(=O)OCCOc2cccc([N+](=O)[O-])c2)CC1 726024664 VRDMLTUDVGKBDU-UHFFFAOYSA-N 432.517 4.162 5 20 IIBD CC(C)(C)c1ccc([C@@H](O)CCC(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 726873594 WSIJJHIWTPMPGM-IBGZPJMESA-N 432.448 4.027 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NCC2(c3cccc(C(F)(F)F)c3)CC2)c1[N+](=O)[O-] 727433009 SXBQIQKUSTVTMO-UHFFFAOYSA-N 425.363 4.466 5 20 IIBD COc1ccc(CC(=O)OCCOc2ccc(Cl)cc2Br)cc1[N+](=O)[O-] 727883064 LHCRUCLTRJGQBR-UHFFFAOYSA-N 444.665 4.184 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)O[C@H](C)C(=O)Nc2cc(F)ccc2F)CC1 729471027 MHKKAKIXKPBFKK-CQSZACIVSA-N 447.438 4.293 5 20 IIBD COc1cc(/C=C(\C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)ccc1O 731710955 UPLJIJKHNQOSLX-NDENLUEZSA-N 433.416 4.276 5 20 IIBD C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1csc2ccccc12 731990248 IMTLUAHJEFXESF-SWLSCSKDSA-N 429.523 4.353 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)c1nc(-n2nc(C)cc2C)ccc1Cl 733683691 PIWGXZZAXWNLSU-UHFFFAOYSA-N 430.848 4.201 5 20 IIBD CC(C)[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccccc1Cl 734342702 WKFFHDJQBKNMIN-ZUOKHONESA-N 433.867 4.254 5 20 IIBD CCc1ccc(OC(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)c([N+](=O)[O-])c1 734739326 GLAGMWVJQBEFQP-INIZCTEOSA-N 447.285 4.130 5 20 IIBD CCc1ccc(OC(=O)c2cc(OC)c(OC)cc2NC(=O)c2ccco2)c([N+](=O)[O-])c1 734740234 RNEBKBYIXSOWIE-UHFFFAOYSA-N 440.408 4.239 5 20 IIBD C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 735492468 YOWKBADZYOJSIO-HNNXBMFYSA-N 427.892 4.177 5 20 IIBD COc1ccc([C@@H]2[C@H](C(=O)Oc3cc([N+](=O)[O-])c(Cl)cc3C)CCC(=O)N2C)cc1 735644443 ORYUWIRKLFNBQG-FOIQADDNSA-N 432.860 4.080 5 20 IIBD O=C(Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1cc([N+](=O)[O-])ccc1N1CCCC1 735822676 GLHRSGXOLCAMTK-FGZHOGPDSA-N 425.485 4.130 5 20 IIBD CCOc1cc(NC(=O)[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1OCC 739500354 VXSLSSLIZXZYMW-UONOGXRCSA-N 437.493 4.024 5 20 IIBD CC(=O)c1ccc(OCCCC(=O)OCc2ccc([N+](=O)[O-])cc2Br)cc1 739578072 GUGQXDLOHDXACV-UHFFFAOYSA-N 436.258 4.462 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)OCc1ncc(-c2ccc(Br)cc2)o1 741819609 NOFDGTTUMNSNNR-UHFFFAOYSA-N 433.214 4.135 5 20 IIBD Cc1nn(Cc2ccc(C(=O)O[C@H](C)C(=O)c3ccc4c(c3)CCC4)cc2)c(C)c1[N+](=O)[O-] 742412067 YFBDQPMUQPVHPM-QGZVFWFLSA-N 447.491 4.373 5 20 IIBD Nc1ccc(C(=O)N[C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)cc1[N+](=O)[O-] 742776993 PMOTXPHSHGYNSZ-OAQYLSRUSA-N 439.855 4.121 5 20 IIBD CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)Cn1cc([N+](=O)[O-])nc1C 743608937 TUEOAAJUMIBVJS-UHFFFAOYSA-N 442.497 4.260 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)C2(c3cccc(Cl)c3)CCC2)c([N+](=O)[O-])c1 744537437 ROIOGFACPXAFCS-CYBMUJFWSA-N 432.860 4.249 5 20 IIBD COc1ccc([C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c2ccc(F)cc2)cc1 745773566 YGBHQUHFKKQKOB-QFIPXVFZSA-N 428.391 4.166 5 20 IIBD COc1ccc2cc(CN(C)Cn3nc(-c4cccc([N+](=O)[O-])c4)ccc3=O)ccc2c1 747075617 DTSDNXQDFGLRRD-UHFFFAOYSA-N 430.464 4.070 5 20 IIBD C[C@@H](NC(=O)OCc1ccccc1)C(=O)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 747304850 PKLKOWJXZAHBOM-CQSZACIVSA-N 431.876 4.306 5 20 IIBD CC(C)(CO)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1ccccc1 747556993 WJDYEEOPXCBBDW-OAHLLOKOSA-N 439.281 4.029 5 20 IIBD CCCc1nc(C(=O)OCCOc2cccc([N+](=O)[O-])c2)nn1-c1ccccc1Cl 748941785 USUVZQRLGSGSGD-UHFFFAOYSA-N 430.848 4.017 5 20 IIBD O=C(NCCCc1nc2ccccc2[nH]1)c1cc(Br)cc([N+](=O)[O-])c1Cl 749420322 QMABIVZDZABOCY-UHFFFAOYSA-N 437.681 4.250 5 20 IIBD Cc1cccnc1C(=O)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 750518359 VBZFRXNAIYBQFN-LJQANCHMSA-N 425.828 4.488 5 20 IIBD O=C(NC[C@@H](O)c1ccc(Cl)cc1)c1cc(Br)cc([N+](=O)[O-])c1Cl 750842861 CMFTWFATPFTINK-CYBMUJFWSA-N 434.073 4.128 5 20 IIBD CC[C@@H]1CN(c2ncc([N+](=O)[O-])c(C)c2Br)CC[C@H]1NC(=O)OC(C)(C)C 754060498 PHMPCUFCTJKQFI-CHWSQXEVSA-N 443.342 4.190 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)Nc1ncc(Cl)cc1Cl 754990005 SIYSNNHBIDXLBX-LURJTMIESA-N 436.610 4.273 5 20 IIBD COC(=O)[C@@H](C)[C@@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 755031116 SLUBHLAFPGPATK-MEDUHNTESA-N 436.262 4.029 5 20 IIBD CCC(=O)c1cc(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1F 756870032 FEZKPNIRQVVAJW-UHFFFAOYSA-N 427.354 4.187 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccccc1)C[C@@H](O)c1ccsc1 756904867 MCNYXOQUSCYMBC-OAQYLSRUSA-N 425.510 4.139 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 756988298 DIQWOJIOWIHWKK-SFHVURJKSA-N 433.892 4.000 5 20 IIBD CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)N2C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 759622612 JVSZRCFNICYCBJ-ALOPSCKCSA-N 442.516 4.055 5 20 IIBD C[C@H](Cc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1)C(=O)O 762166963 GAYRLZYLFUBZMM-SECBINFHSA-N 425.210 4.012 5 20 IIBD C[C@H](C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(Br)cc1 766993728 DHWCBWWXKLZORZ-JTQLQIEISA-N 441.665 4.296 5 20 IIBD Cc1cc(-c2noc(COC(=O)Cn3c4ccccc4c(=O)c4ccccc43)n2)ccc1F 767278136 ZXACAHRLQWKZIO-UHFFFAOYSA-N 443.434 4.396 5 20 IIBD CCC(CC)n1ccc(COC(=O)c2ccc([N+](=O)[O-])cc2I)n1 771348354 ADTJXWKONQROFL-UHFFFAOYSA-N 443.241 4.114 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3CC34CCN(C(=O)OC(C)(C)C)CC4)n2)c1 771396852 KZNFFIVNYHWABL-INIZCTEOSA-N 444.488 4.082 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc1 772479456 QMTQZGLZHIQILQ-UHFFFAOYSA-N 441.484 4.025 5 20 IIBD CC(C)(C)OC(=O)NCCc1ccc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 774160502 HMVIJUXFRQZEJR-PMACEKPBSA-N 443.548 4.132 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Oc1cc(Cl)cnc1Br 774799189 SKZZXMBKIVDYNY-UHFFFAOYSA-N 442.074 4.135 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)N1CCc2ccccc2C1 775091433 PYXHBKLJBSNLLF-HNNXBMFYSA-N 428.510 4.226 5 20 IIBD O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCO[C@H](c2ccc(F)c(Br)c2)C1 775170644 CRRMZYDIEPNFSX-INIZCTEOSA-N 443.656 4.364 5 20 IIBD COc1ccc(COC(=O)Cc2sc(N)nc2-c2ccc(C)c(C)c2)cc1[N+](=O)[O-] 775831614 GBFDEGXXDGYDCU-UHFFFAOYSA-N 427.482 4.212 5 20 IIBD COc1ccc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc1OCc1cccnc1 777941631 FGKZFSGCSGYEIK-UHFFFAOYSA-N 429.379 4.308 5 20 IIBD C[C@H](OC(=O)c1ccc(N)c(OC(F)(F)F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 778358762 ZYPAAQAIPZIANM-VIFPVBQESA-N 438.318 4.044 5 20 IIBD CCCC[C@H](OC(=O)c1cccc([N+](=O)[O-])c1Br)C(=O)Nc1cc(C)on1 781675910 ZMGKNWBGBSLSQC-ZDUSSCGKSA-N 440.250 4.008 5 20 IIBD C[C@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc(-c2ccc(Cl)cc2)no1 781687924 IJKHLGRYKLQDDE-NSHDSACASA-N 445.819 4.016 5 20 IIBD Cc1cccc(C(C)C)c1NC(=O)COC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781734604 DTZDPPHVYMNPRE-UHFFFAOYSA-N 429.429 4.049 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 782725679 MSTTWOIZLMEAIV-KRWDZBQOSA-N 441.242 4.389 5 20 IIBD C[C@@H](C(=O)OCC(=O)N(C)C(c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 784994191 UZXRPLQUDFRVMC-GOSISDBHSA-N 432.476 4.490 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC([C@@H](O)c2ccccc2)CC1 787341547 NFESMECAXTYTMO-IBGZPJMESA-N 437.418 4.269 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)O1 788440195 LNCPAQICEVRODB-ZWNOBZJWSA-N 440.399 4.199 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)[C@@H]2CCC(=O)c3cccn32)c2ccccc2)c([N+](=O)[O-])c1 789236878 ISNZNWYYSFCYKT-SIKLNZKXSA-N 447.447 4.146 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCc1ccnc(OCc2ccccc2)c1 790538131 CQQQBIGOARGAJS-UHFFFAOYSA-N 429.835 4.220 5 20 IIBD CN(C)c1cc(F)c(C(=O)N[C@H](c2ccccc2)c2nc3ccccc3n2C)cc1[N+](=O)[O-] 791333810 RDXKKUZZZPMPSE-JOCHJYFZSA-N 447.470 4.206 5 20 IIBD Cn1nccc1-c1ccccc1OS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 795252664 PYHDDSHGAHTJQS-UHFFFAOYSA-N 428.253 4.070 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NC[C@H](c2ccccc2Cl)N2CCCC2)c1[N+](=O)[O-] 796449636 JVOFLROZRUEDLJ-GOSISDBHSA-N 434.880 4.206 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1)N1CCC2(CCO2)CC1 800654224 JHXHDOJKGOMFGC-UHFFFAOYSA-N 449.551 4.449 5 20 IIBD Cc1cc(O)c(COC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)nn1 802169881 SOPDRSIGVOGSNE-UHFFFAOYSA-N 428.832 4.021 5 20 IIBD Cc1ccc([C@@H](NC(=O)COC(=O)c2cc([N+](=O)[O-])cc(C)c2F)c2cccs2)cc1 803463015 ZJAITDBZMIRVOV-OAQYLSRUSA-N 442.468 4.475 5 20 IIBD Cc1c(CNC(=O)NC[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)cccc1[N+](=O)[O-] 808294374 AHSIXJXQJOIJMO-QAQDUYKDSA-N 434.537 4.034 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)CCc1c(C)nc2c3ccccc3nn2c1C 809214861 KQLOYAKNRDECOR-UHFFFAOYSA-N 434.452 4.092 5 20 IIBD O=C(COC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])Nc1ccc(N2CCCC2)cc1 811373758 MUMGOFJRKNDITR-UHFFFAOYSA-N 438.267 4.297 5 20 IIBD CC(C)Oc1cccc(CNC(=O)COC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 811374839 PMPPXHLMHUJMDQ-UHFFFAOYSA-N 441.267 4.162 5 20 IIBD C[C@H]1CCCN(Cc2csc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)n2)C1 812190969 ODDFBWFAPDZBGC-HNNXBMFYSA-N 429.546 4.136 5 20 IIBD Cc1ccc(-c2cnc(CCC(=O)O[C@H]3CCN(Cc4cccc([N+](=O)[O-])c4)C3)o2)cc1 813174198 RXNKRXPGQBHXBB-NRFANRHFSA-N 435.480 4.309 5 20 IIBD O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 813893996 RLLJEJHLZUUVIV-LJQANCHMSA-N 427.259 4.108 5 20 IIBD O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 816859830 MWTKQPFUEJFHEX-UHFFFAOYSA-N 442.686 4.153 5 20 IIBD Cc1ccc(NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c(SCCC(=O)O)c1 821199148 UJPGVZXBRNAQPE-UHFFFAOYSA-N 448.881 4.063 5 20 IIBD CCc1ccc([C@H](C)NC(=O)[C@@H](C)OC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 822599035 WZISUCIXLHFZDL-DLBZAZTESA-N 439.512 4.180 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)c([N+](=O)[O-])c1 839696050 DWIZBKCABOZDPS-CYBMUJFWSA-N 437.452 4.005 5 20 IIBD CC1=C(C(=O)N(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1c1ccccc1Cl 887570758 CNDBPMWNGQJVOR-GOSISDBHSA-N 430.917 4.046 5 20 IIBD O=C(OCC(=O)c1ccc([N+](=O)[O-])cc1)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 913253281 ZLAIYYGEIPEECP-QFIPXVFZSA-N 429.432 4.328 5 20 IIBD Cc1ccc(NC(=O)/C(=C\c2cccs2)n2nnnc2-c2ccccc2)cc1[N+](=O)[O-] 916665441 IKBDSSKWHAHSFT-CPNJWEJPSA-N 432.465 4.255 5 20 IIBD C[C@@H](SCc1ccccc1)C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 919376554 BWAPTNVNLIVMOR-GFCCVEGCSA-N 442.415 4.417 5 20 IIBD Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3Cc4ccc([N+](=O)[O-])cc4C3)cc2)cc1 1322111303 PRCKIUSETGFQRY-UHFFFAOYSA-N 436.489 4.033 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)O[C@@H]2CCSc3ccccc32)ccc1[N+](=O)[O-] 1324606362 XKYSUCIMVVKGMC-RBUKOAKNSA-N 426.494 4.288 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)Nc2cc(C(C)(C)C)nn2C)cc1[N+](=O)[O-] 1335444513 GTIGHWOXIIXEFM-UHFFFAOYSA-N 449.511 4.175 5 20 IIBD Cc1ccn(C)c1C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc([N+](=O)[O-])o3)CCC2)cc1 1790178702 DVIJEARHMSZDBD-CSKARUKUSA-N 448.479 4.296 5 20 IIBD Cn1cccc1C(=O)NC1(c2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2)CCC1 1790696725 NZOIZPGKCKIPFE-UHFFFAOYSA-N 436.443 4.134 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@H]3C[C@@]3(F)Cl)CCC2)cc1)c1cc(F)cc([N+](=O)[O-])c1 1790699490 ROBXGGUSKNXKQL-UTKZUKDTSA-N 449.841 4.406 5 20 IIBD C[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 1793944587 YEMYDXHZDYIAQE-TWHAJKEOSA-N 449.551 4.359 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)c1ccccc1 1804328342 SIJHAZANBWNOCT-DQEVTTJGSA-N 439.487 4.098 5 20 IIBD O=C(/C=C/C1CCCCC1)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1 1820905716 UJWQFVTUGMKYMT-KAMXEHQASA-N 441.488 4.353 5 20 IIBD CSc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1[N+](=O)[O-] 9621309 VUFINSPYSICCBI-VIFPVBQESA-N 439.833 4.062 5 20 IIBD O=C(Nc1cccc(Cl)c1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 15413770 RJWRPXHUKZWICX-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccccc1N1CCCC1=O 16106029 SXOXRKYKVXKEPW-UHFFFAOYSA-N 436.390 4.181 5 20 IIBD COc1ccccc1N(C(C)=O)c1nc(COC(=O)c2ccc([N+](=O)[O-])s2)cs1 21365667 VUEZOALEFQZOAU-UHFFFAOYSA-N 433.467 4.163 5 20 IIBD C[C@@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)N[C@@H]1CCOc2ccccc21 26580932 KAUPDHXMDSMPFN-FOIQADDNSA-N 445.544 4.207 5 20 IIBD CC(C)C(=O)Nc1ccc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 33092398 IPUFYMQWIZBXFN-UHFFFAOYSA-N 427.504 4.066 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 57561687 KLFYHUBWESCVLC-UHFFFAOYSA-N 425.466 4.062 5 20 IIBD CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CCn1cc([N+](=O)[O-])nc1C 61112261 XKMBGEKEAQGHEW-UHFFFAOYSA-N 428.470 4.034 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)cc([N+](=O)[O-])c1 63991048 TWIGVQDEHHMSRI-UHFFFAOYSA-N 444.447 4.422 5 20 IIBD CC(C)OCc1cccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1 64323125 KTNGITIIJCCBHM-UHFFFAOYSA-N 427.486 4.052 5 20 IIBD C[C@@H](c1ccncc1)N(C)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 71939467 SDKWBLXURHRYAE-AWEZNQCLSA-N 436.434 4.445 5 20 IIBD NC(=O)c1ccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Cl 105990919 YUNGFBNIQFMDOI-UHFFFAOYSA-N 433.795 4.097 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H](C)COCC(F)(F)F)cc1 109298836 FNASEYXLHRGIEF-GFCCVEGCSA-N 428.363 4.093 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)N3CCN(c4ccc([N+](=O)[O-])c5cccnc45)CC3)n2)cc1 301105962 NIPGDCKEEPSNFH-QGZVFWFLSA-N 444.495 4.385 5 20 IIBD O=C(c1cccc(C(F)(F)F)c1)N1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 301122161 XMZSXWWIEMHKLV-UHFFFAOYSA-N 430.386 4.124 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC(c2c[nH]c3ncccc23)CC1 410055873 RSEKZOLXAVHIQC-UHFFFAOYSA-N 436.515 4.437 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 427570317 TWSFUWLYFBWGBA-UHFFFAOYSA-N 427.460 4.254 5 20 IIBD COc1cc(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])ccc1OCC(F)(F)F 429858904 OIGNXCDUAONZFZ-UHFFFAOYSA-N 426.391 4.139 5 20 IIBD COc1cc(C(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)c([N+](=O)[O-])cc1OC 431118941 PBXFROXCFFKIJG-UHFFFAOYSA-N 433.464 4.479 5 20 IIBD O=C(O)CN(C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C1CC1 431451679 KARQNYOXEZKVJQ-PTNGSMBKSA-N 437.477 4.211 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 434567672 VWJZJEGWHIBBLX-UHFFFAOYSA-N 449.960 4.396 5 20 IIBD CC(C)c1ccc2c(c1)[C@H](NC(=O)c1ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c1)CCC2 436036838 YIFBTEXRBYVDOE-LJQANCHMSA-N 435.480 4.179 5 20 IIBD O=C(NCC1(c2ccc(F)cc2)CCOCC1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 436138716 LVDKNTXHAANLNK-UHFFFAOYSA-N 448.469 4.438 5 20 IIBD C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CCN1Cc1ccccc1 437459461 NMPYURFPPGXULK-OAHLLOKOSA-N 432.318 4.094 5 20 IIBD Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)C2)c1 437595216 XYKFITDVFIMPQN-IBGZPJMESA-N 436.512 4.338 5 20 IIBD CC(C)(COc1ccc(C(F)(F)F)cn1)NC(=O)CSc1ccc([N+](=O)[O-])cc1 437904518 BZSWHTXQRSKGEU-UHFFFAOYSA-N 429.420 4.075 5 20 IIBD COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)Cc1cccc([N+](=O)[O-])c1C 438921270 UDRJRSYBHIPAKQ-GOSISDBHSA-N 425.268 4.125 5 20 IIBD Cc1ccn(-c2ccccc2CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)n1 444234842 FQTIDSVICGGKFG-UHFFFAOYSA-N 426.451 4.245 5 20 IIBD COC(=O)c1ccc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c(OC)c1 444366511 DEFXUXQMUNMURU-UHFFFAOYSA-N 435.436 4.254 5 20 IIBD Cc1ccc([C@@H]2CSCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 447018060 RPTUYPFXGJBNSR-INIZCTEOSA-N 446.472 4.401 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)Nc1cccn(Cc2ccc(F)cc2)c1=O 447182792 QETJDIYWNJUPOH-UHFFFAOYSA-N 438.459 4.088 5 20 IIBD O=C(Nc1cccc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1)c1cccc(F)c1 447530643 OVKPAEXGKICFSJ-RTWAWAEBSA-N 437.475 4.456 5 20 IIBD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCCc2c[nH]c3ccc(Br)cc23)n1 447598531 VKYOXMLBFQZJDO-ZWKOTPCHSA-N 432.322 4.351 5 20 IIBD CC(=O)N1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC12CCCCC2 447677277 SXMINEDTDZLPHO-UHFFFAOYSA-N 436.381 4.015 5 20 IIBD Cn1c(SCc2nc3ccc(Br)cc3o2)nc2cc([N+](=O)[O-])ccc2c1=O 460874775 YCDDHKZBXBZIDI-UHFFFAOYSA-N 447.270 4.038 5 20 IIBD O=C(c1cc(-c2ccccc2C(F)(F)F)on1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 461749435 MOXRLYFLKYRKLQ-UHFFFAOYSA-N 446.385 4.231 5 20 IIBD CN(CCc1cccc(Br)c1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 462856617 VRDBGKZEBBPPKA-UHFFFAOYSA-N 443.301 4.073 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N(CCCOc1ccccc1)C1CCOCC1 463905574 SJVRSELSYMEXGJ-UHFFFAOYSA-N 437.496 4.026 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)c2ncccc12 464206846 HVBVBMNHIXCVTK-QGZVFWFLSA-N 438.465 4.200 5 20 IIBD CN(C)[C@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 469545558 UXMNSEYMSUCTHI-LJQANCHMSA-N 436.434 4.221 5 20 IIBD C[C@@H](Cc1ccccc1Br)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 470162792 LEANLEKCUDYMPC-HNNXBMFYSA-N 446.345 4.321 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](OCc3ccccc3F)C2)cc1SC 470689632 RGRDNVBKJFSZSQ-HNNXBMFYSA-N 434.489 4.286 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1c1nc(C(=O)OC)c(C)s1 471326326 HLVFORGCCCWCDM-DOTOQJQBSA-N 431.514 4.079 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] 471528362 SWPIZEYACGQANH-WMLDXEAASA-N 441.488 4.080 5 20 IIBD O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 474953692 MHUVWTOGBCCIQB-IBGZPJMESA-N 440.297 4.395 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)[C@@H](C)c1cn(C)c2ccccc12)c1ccccc1[N+](=O)[O-] 475405276 UFKOEQIQOMLYLL-JXFKEZNVSA-N 437.496 4.389 5 20 IIBD COc1ccc(CC[C@@H]2CCCCN2C(=O)c2cccc([N+](=O)[O-])c2OC)cc1OC 475538716 TVWBFWCLZTVVNE-KRWDZBQOSA-N 428.485 4.248 5 20 IIBD O=C(N[C@@H](CO)c1ccccc1OC(F)(F)F)c1cc2cc([N+](=O)[O-])ccc2s1 478167879 IVCFACMNOFIWIK-ZDUSSCGKSA-N 426.372 4.172 5 20 IIBD CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 478563394 PVNGDBBIYARKPZ-UHFFFAOYSA-N 444.875 4.266 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)N(C[C@@H]1CCCO1)c1ccc(Br)cc1 479062658 YEEDWGSMSNUCIY-KRWDZBQOSA-N 437.265 4.251 5 20 IIBD COc1cc(C(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)cc([N+](=O)[O-])c1C 479939901 JJBCFJBFAWIQAJ-UHFFFAOYSA-N 431.448 4.367 5 20 IIBD COc1cc(C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc([N+](=O)[O-])c1C 480033962 GAUFBEBYGQKZCB-GOSISDBHSA-N 425.268 4.432 5 20 IIBD CNc1cccnc1CNc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] 480510636 JBERSVQLMHQLNX-UHFFFAOYSA-N 441.513 4.061 5 20 IIBD CCOC(=O)c1csc([C@H]2CCCN2Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)n1 484899598 JKARGDPRAYVAIP-QGZVFWFLSA-N 428.470 4.220 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1cccc(OC[C@@H]2CCCO2)c1 487891425 VXLKYZOCUCUMLT-SFHVURJKSA-N 439.390 4.493 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)NC(C)C)cc1C 488271460 XCFLHCVRGVTVRP-UHFFFAOYSA-N 431.514 4.032 5 20 IIBD CSC[C@H]1CCCN1C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 489363977 ISFRYJSYFLMFIS-OAHLLOKOSA-N 431.480 4.184 5 20 IIBD CC(C)(C(=O)Nc1cnn(-c2ccccc2Br)c1)c1ccccc1[N+](=O)[O-] 489907013 QFEWHXMIIYNJFK-UHFFFAOYSA-N 429.274 4.459 5 20 IIBD COc1ccccc1[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccccn1 491023553 VAFNUFKZVZXNEZ-HSZRJFAPSA-N 432.480 4.462 5 20 IIBD O=[N+]([O-])c1cc(CN[C@H](c2ccccc2OC(F)F)C(F)(F)F)c2c(c1)COCO2 491270746 JZIJYHINXPBVLL-MRXNPFEDSA-N 434.317 4.456 5 20 IIBD CCc1nc(COc2ccc(C(=O)N3CCS[C@H]3c3ccc([N+](=O)[O-])cc3)cc2)no1 498140584 PXOWMWAMQGOQFK-NRFANRHFSA-N 440.481 4.007 5 20 IIBD O=C(NCCCCCC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)NC1CCCCC1 498153354 OPIMCVYHPYQPFF-NRFANRHFSA-N 448.589 4.361 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cccc(C(=O)N2CCc3ccccc32)c1 498478691 YZZZHTXBNLNOGO-UHFFFAOYSA-N 430.464 4.238 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC1(Cc2ccc(F)cc2)CCOCC1 499271480 VZXMTHNKIPZSKH-UHFFFAOYSA-N 436.867 4.064 5 20 IIBD CCCN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H](C)CC(=O)Nc1ccccc1 500649195 KHCNPVMQKCCNFB-KRWDZBQOSA-N 435.484 4.050 5 20 IIBD Cc1nn(CCC(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)c(C)c1[N+](=O)[O-] 505358997 GEWPDFPKHVOAFO-HNNXBMFYSA-N 438.328 4.237 5 20 IIBD CCOC(=O)c1cnc(C)c(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 506511319 NUKUTBVJAVSUDQ-HNNXBMFYSA-N 449.467 4.295 5 20 IIBD COc1cc(C(=O)N2CCCC[C@H]2c2ncc(-c3ccccc3)[nH]2)cc([N+](=O)[O-])c1OC 507289186 DTZSTHQDYVHEGX-SFHVURJKSA-N 436.468 4.370 5 20 IIBD CN([C@@H]1CCSc2ccc(Br)cc21)S(=O)(=O)c1ccccc1[N+](=O)[O-] 507545170 DNWCMARAFOIVGL-CYBMUJFWSA-N 443.344 4.215 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1 509855436 QXLMQNUIRQNXMN-UHFFFAOYSA-N 436.443 4.328 5 20 IIBD CC(C)(C)c1csc([C@@H]2CN(C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)CCO2)n1 511884588 MDKOQNJAAOTBHV-HNNXBMFYSA-N 438.937 4.285 5 20 IIBD Cc1cccc(-n2ncc(C(=O)N(C)CCc3cccc([N+](=O)[O-])c3)c2C(F)(F)F)c1 512998226 LVITWKSTLDVPGT-UHFFFAOYSA-N 432.402 4.422 5 20 IIBD COc1ccc([C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccc(C)cc2)cc1 516739008 QIRCREITEAWTNB-JOCHJYFZSA-N 433.464 4.065 5 20 IIBD CCN1CCN(C[C@@H](C)CNCc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 518275951 ZJYXBHAAXHVJDB-FQEVSTJZSA-N 442.629 4.418 5 20 IIBD COc1ccccc1Nc1nnc(S[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)s1 521837313 GNUFDFXIRKMUTB-MRXNPFEDSA-N 443.510 4.096 5 20 IIBD CN(C)C(=O)COc1ccccc1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 522673179 VAPVLFSLFQNFJX-UHFFFAOYSA-N 435.436 4.106 5 20 IIBD COc1cccc(NC2CCN(C(=O)Cn3c4ccccc4c(=O)c4ccccc43)CC2)c1 522977363 CGOSZCDVBWDHPL-UHFFFAOYSA-N 441.531 4.266 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N[C@H](C)Cc2c(C)noc2C)c([N+](=O)[O-])c1 523087054 KGDUCNFLHFKPFE-CYBMUJFWSA-N 437.452 4.260 5 20 IIBD O=C(NCc1ccc(N2CCCCCC2)nc1)c1ccc([N+](=O)[O-])cc1Br 524257097 NUIZDSXDXCEOQL-UHFFFAOYSA-N 433.306 4.063 5 20 IIBD CC(C)(C)Oc1ccc(CNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)c(C(F)(F)F)c1 525190331 JCLVKTQIOWRPPL-UHFFFAOYSA-N 447.435 4.050 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C(F)(F)F 532480901 QNZYZHATEUQPRQ-HXUWFJFHSA-N 448.401 4.196 5 20 IIBD COc1ccc(CNc2ccc(-n3cnnn3)c(C)c2)cc1OCc1ccc([N+](=O)[O-])cc1 533210122 DWPXWGROYFVMMM-UHFFFAOYSA-N 446.467 4.079 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](c2ccccc2Cl)OC[C@H]1C 533304354 NEXCSJRXCZTXRF-VLIAUNLRSA-N 433.892 4.047 5 20 IIBD O=C(NCCN=c1cc[nH]cc1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 533810052 CNZZCHDTAIGFRH-UHFFFAOYSA-N 428.901 4.058 5 20 IIBD CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 534946802 FTQTXUGLSQFIRP-CYBMUJFWSA-N 447.538 4.280 5 20 IIBD C[C@@H](c1nc(-c2cccs2)no1)S(=O)(=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 535508409 UDCNPODYLRYIPL-NSHDSACASA-N 446.466 4.037 5 20 IIBD CCOc1ccc(C(C)=O)cc1C[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 536304934 JQCOKJOWVABTSV-PMERELPUSA-N 428.466 4.300 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC(C)(C)c2ccccc21 536502971 WROAIXIEQYXSEG-SFHVURJKSA-N 428.510 4.402 5 20 IIBD O=C1[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1c1ccc(F)c(Cl)c1 537466657 CMVXDTAFPRAFOD-SFHVURJKSA-N 446.891 4.406 5 20 IIBD O=C(Nc1ccc(NCCc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1N1CCOCC1 537587912 YELNJGQUYWNJFS-UHFFFAOYSA-N 446.507 4.338 5 20 IIBD CCOc1cc(NC(=O)NCc2ncc(-c3ccccc3)[nH]2)c([N+](=O)[O-])cc1OCC 541065421 ILGMEFDMGKYZLN-UHFFFAOYSA-N 425.445 4.104 5 20 IIBD O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 542750658 IHXGLTSPDWSSPI-UHFFFAOYSA-N 444.296 4.160 5 20 IIBD COc1ccc2[nH]cc(C3=CCN(C(=O)NCc4cc([N+](=O)[O-])ccc4OC)CC3)c2c1 543172494 HMKVZDYYGNHWQQ-UHFFFAOYSA-N 436.468 4.092 5 20 IIBD O=[N+]([O-])c1cccc2ncnc(NC[C@@H](c3ccc(C(F)(F)F)cc3)N3CCOCC3)c12 543435862 FTTNJZZEQBYART-SFHVURJKSA-N 447.417 4.042 5 20 IIBD COc1ccc2c(c1)C[C@H](C)N(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H]2C 543789670 MIQYSEUVSSCBHG-QWHCGFSZSA-N 433.302 4.443 5 20 IIBD C[C@@H]1CCCCN1C[C@@H]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 544223920 VWUSYWJTAMGORS-CVEARBPZSA-N 425.982 4.453 5 20 IIBD C[C@H](C(=O)N1C[C@H](CC(=O)N(C)C)c2cc(Cl)ccc21)c1ccc([N+](=O)[O-])cc1F 544400002 FUIDLMORRLBESX-STQMWFEESA-N 433.867 4.100 5 20 IIBD CC(C)(C(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1)c1ccc([N+](=O)[O-])cc1F 545156037 JPAVVKHMGPIHLM-UHFFFAOYSA-N 447.894 4.040 5 20 IIBD Cc1cc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)nn1[C@H](C)C1CC1 546448797 FUZAGILIMGHCQZ-LLVKDONJSA-N 432.278 4.474 5 20 IIBD O=[N+]([O-])c1cc(I)cc(-c2nc(CSCc3ccco3)no2)c1 546939602 RHACORHJTJOIGI-UHFFFAOYSA-N 443.222 4.276 5 20 IIBD C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1ccc(NC(=O)NC2CC2)cc1 547286034 MEFORHNFSFYDNQ-CYBMUJFWSA-N 428.464 4.173 5 20 IIBD CC[C@@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)CCn1cc([N+](=O)[O-])nc1C 547960402 DPHNSLIELBUWNE-LJQANCHMSA-N 425.533 4.238 5 20 IIBD O=[N+]([O-])c1ccn(C2CCN(c3nnc(CC4CCCC4)n3CCc3ccccc3)CC2)n1 549563020 DKXVGDCSWSCCFA-UHFFFAOYSA-N 449.559 4.200 5 20 IIBD O=C(c1ccccc1[N+](=O)[O-])N1CCN(Cc2ccc(-c3nc4ccccc4s3)o2)CC1 552412674 LMLGCFJSTLVSIT-UHFFFAOYSA-N 448.504 4.423 5 20 IIBD COCCC[C@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 552680895 IWHNNLUZAYZQME-GOSISDBHSA-N 442.903 4.374 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC2(CCN(Cc3ccccc3)CC2)C1 554415976 XUCRAUFZVYPZNJ-UHFFFAOYSA-N 445.466 4.325 5 20 IIBD O=C1[C@@H](Nc2nc(O)c3cc([N+](=O)[O-])ccc3n2)CCCN1c1ccc(Cl)cc1Cl 557427176 VIMRXMBBNOJNFJ-HNNXBMFYSA-N 448.266 4.158 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 559708650 OKMMAQQTPSCANE-IBGZPJMESA-N 443.456 4.038 5 20 IIBD COCCOc1ccc(NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1Cl 560212497 AHLACDFYBCYMQQ-UHFFFAOYSA-N 449.891 4.148 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Br)cnc1OCC1CC1 563749605 ZWSTXYQWOLVUCB-UHFFFAOYSA-N 436.262 4.192 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(NC(=O)NCc2ccncc2)c1 564759805 APWRMASJSHBOKS-UHFFFAOYSA-N 448.483 4.196 5 20 IIBD CN1CCC[C@@]2(CCN([C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c3ccccc3)C2)C1 571065389 WJWMKYSFFNBDDV-FYYLOGMGSA-N 442.947 4.346 5 20 IIBD O=C(c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CCC2(CCCC2)CC1 572886701 AKJDHHGHMAJLTL-UHFFFAOYSA-N 443.525 4.192 5 20 IIBD Cc1cc(C(=O)N(CCn2ccnc2)Cc2ccccc2Br)cc([N+](=O)[O-])c1 573008615 QNGAMKMGPJWSPS-UHFFFAOYSA-N 443.301 4.205 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]2c2cc3c(cc2OCC)C[C@@H](C)O3)c1 579862760 GHVQWHKCYQFUGD-ACWOFJMJSA-N 426.469 4.002 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3cccnc3)cc2)cc1OC 588934777 AFMNYFOZZVQHOO-UHFFFAOYSA-N 439.424 4.068 5 20 IIBD COc1cc(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)ccn1 599796175 ZPNARIXDZZHTDN-UHFFFAOYSA-N 443.843 4.383 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc1 603436374 DTUORRLBJBFQIV-UHFFFAOYSA-N 429.479 4.084 5 20 IIBD O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 603447451 OIFYVUUAFSPCDV-QFIPXVFZSA-N 430.508 4.211 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(C(=O)NC(C)(C)CC)cc2)c([N+](=O)[O-])cc1OC 603985500 ODJFLGZZZBEEIY-UHFFFAOYSA-N 429.473 4.173 5 20 IIBD Cc1sc(NC(=O)Cc2cc(F)cc3c2OCOC3)nc1-c1cccc([N+](=O)[O-])c1 603997173 AMZNGXAHEDHXMG-UHFFFAOYSA-N 429.429 4.214 5 20 IIBD COc1cc(C(=O)Nc2cc(C(=O)N3CCCCC3)ccc2Cl)c([N+](=O)[O-])cc1OC 608873395 XERSTECZNFIDGI-UHFFFAOYSA-N 447.875 4.144 5 20 IIBD COc1ccc(CC(=O)Nc2ccnn2Cc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] 609010045 PKGYFDGJPRGNFS-UHFFFAOYSA-N 434.374 4.048 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3nc4c(s3)COCC4)cc2[N+](=O)[O-])n1 609022553 QZDWZMYOSSIAAF-UHFFFAOYSA-N 434.524 4.292 5 20 IIBD COCCN(Cc1cccnc1)C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 609025042 QQPGSQHEBJLWTF-UHFFFAOYSA-N 444.538 4.195 5 20 IIBD Cc1ccc(C(C)C)c(Oc2ccc(CNCCS(=O)(=O)NC(C)C)cc2[N+](=O)[O-])c1 609223630 SYRPHSRNHCRREA-UHFFFAOYSA-N 449.573 4.236 5 20 IIBD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 609448745 VSHOQEIVCUIGEU-FQEVSTJZSA-N 439.516 4.252 5 20 IIBD Cc1cccc([C@H]2CCCCCN2C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 609796831 MRJXDLHIJIOGHJ-GOSISDBHSA-N 429.904 4.430 5 20 IIBD O=C(NCc1ccc(OCCOc2ccccc2)nc1)c1cc(Cl)cc([N+](=O)[O-])c1 609856229 RMPIQIYXCWWBHA-UHFFFAOYSA-N 427.844 4.031 5 20 IIBD O=C(NC[C@H]1CCOc2ccccc21)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 609858905 RNUUAPKJUZOVBI-GFCCVEGCSA-N 447.278 4.383 5 20 IIBD Cc1c(Cl)ccc2c1N(C(=O)c1ccc(Sc3nncn3C)c([N+](=O)[O-])c1)CCC2 609870672 TWTQTQRENCVZSQ-UHFFFAOYSA-N 443.916 4.429 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(NC[C@@H]2CCCO2)c(F)c1 610069231 FZLYRNSPKIARRT-HNNXBMFYSA-N 437.855 4.386 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1S(=O)(=O)NC(C)(C)C 610099506 RDSSVVIMPOOWQJ-UHFFFAOYSA-N 448.545 4.114 5 20 IIBD CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1)CC2 610159815 MMGWSFYRPYBWIC-UXHICEINSA-N 436.574 4.125 5 20 IIBD CO[C@@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccccc1Cl 610789841 WRKYLBQMEUVGLO-INIZCTEOSA-N 432.782 4.307 5 20 IIBD O=C(N[C@H]1COc2cc(F)cc(F)c21)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 618690725 PSMVMSHFMTXMSF-SFHVURJKSA-N 426.375 4.316 5 20 IIBD Cc1onc2c(=O)n(CN(Cc3ccc([N+](=O)[O-])cc3)C(C)C)nc(-c3ccccc3)c12 725768370 ATSKRWOQGMVHJZ-UHFFFAOYSA-N 433.468 4.136 5 20 IIBD O=C(NC[C@H](c1cccc(Cl)c1)N1CCOCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 727029413 DWINLIGHDPIULI-GOSISDBHSA-N 439.299 4.097 5 20 IIBD COc1ccccc1[C@H]1CCCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] 727826878 HRRRPKTYDYRNMX-CQSZACIVSA-N 430.404 4.238 5 20 IIBD CC(C)(C)c1cc(NC(=O)COC(=O)c2cc(F)cc([N+](=O)[O-])c2)n(-c2ccccc2)n1 731529562 XWOFOMKMYROUDT-UHFFFAOYSA-N 440.431 4.013 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccoc1CN1c2ccccc2C[C@H]1C 732840595 DFFLRNYEKOMNFY-MRXNPFEDSA-N 449.463 4.243 5 20 IIBD COc1ccc(Cl)cc1NCC(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 733502056 KCVISZMIICBBEO-LLVKDONJSA-N 432.820 4.023 5 20 IIBD COC(=O)[C@@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(Cl)c1 733823684 JNFLPYCSJHNXDO-INIZCTEOSA-N 432.841 4.443 5 20 IIBD CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 735442824 JKEGAQLMWNBJPU-NRFANRHFSA-N 433.420 4.257 5 20 IIBD Cc1cc(=O)oc2cc(OCCOC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])ccc12 740958091 LKWYLDDFWSCXJJ-ZDUSSCGKSA-N 447.827 4.053 5 20 IIBD Cc1ccc(C(=O)OCc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1NC(=O)Nc1ccccc1 741353125 SIDZDLPZTXUHDX-UHFFFAOYSA-N 448.435 4.003 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1OC(=O)[C@@H]1CCOC1 744371945 LQGCGZUMIJFGGF-SNVBAGLBSA-N 425.224 4.096 5 20 IIBD C[C@H](O)CC(C)(C)CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 746011475 KAECQJKMJGKDJO-ZDUSSCGKSA-N 433.892 4.027 5 20 IIBD CCCN(Cc1ccccc1Br)Cn1cc(Br)c([N+](=O)[O-])n1 746039679 ZKDWRCHVZJECRL-UHFFFAOYSA-N 432.116 4.186 5 20 IIBD CC(C)N(Cc1ccccc1F)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 746180964 FMVYLLUKVDNTLC-UHFFFAOYSA-N 431.283 4.096 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 748009348 GCNYCSQJBCWKSY-UHFFFAOYSA-N 433.482 4.067 5 20 IIBD CCC[C@@H](C)CC(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 748607689 SQQXKYYMPGBBTA-PILJQMSFSA-N 439.921 4.227 5 20 IIBD CC(C)[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)C(=O)OC(C)(C)C 750913305 GFUWGDPRQTYKDX-CYBMUJFWSA-N 435.702 4.107 5 20 IIBD CC[C@H](OC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)c1ccc(NC(C)=O)cc1 750963985 KVGJJMOIVHXDMG-KRWDZBQOSA-N 449.257 4.134 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)cc1[N+](=O)[O-] 751198138 PQEZQZMZPUIXLS-UHFFFAOYSA-N 434.836 4.198 5 20 IIBD CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 751219147 OTVOKXUOOGXBOS-UHFFFAOYSA-N 446.312 4.231 5 20 IIBD O=[N+]([O-])c1cc(CN[C@@H](CO)C[C@@H](O)c2ccccc2)ccc1Oc1ccc(F)cc1 754084251 WGTUJHAXYJGNHZ-DENIHFKCSA-N 426.444 4.100 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Nc2cnc(Cl)c(Br)c2C)cc1[N+](=O)[O-] 755020336 ROSNOAKFDIRCRE-UHFFFAOYSA-N 434.699 4.132 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]1C[C@@H](O)c1cccs1 755485619 FLPWBSFSMAWZDR-CZUORRHYSA-N 439.331 4.076 5 20 IIBD COCCC1(CNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC1 760819469 VGFJMFPIAFAQRG-UHFFFAOYSA-N 445.903 4.437 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])O[C@@H](C(=O)NCc1ccccc1)c1ccccc1 761767469 HDCCULFDYABVQT-JOCHJYFZSA-N 436.489 4.288 5 20 IIBD C[C@@H](CCS(C)(=O)=O)NC(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34 762559196 XFUYPDWABSLAEV-INIZCTEOSA-N 435.545 4.486 5 20 IIBD O=C(OCc1cn(-c2cccc(Cl)c2Cl)nn1)c1cc(F)c([N+](=O)[O-])cc1F 763526918 LXPWTUGONWIQQM-UHFFFAOYSA-N 429.166 4.118 5 20 IIBD Cn1c(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)nc2cc(F)ccc21 764209005 KDTUENYACVYLEO-UHFFFAOYSA-N 433.443 4.163 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)OC[C@@H]1CCCN(C(=O)c2ccccc2)C1 764669713 ATFCZDHUXBXXAD-MRXNPFEDSA-N 428.510 4.416 5 20 IIBD O=C(OCc1ccc(Oc2ccccc2)nn1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 766057257 ZPONBWBXDFDCDV-UHFFFAOYSA-N 434.452 4.137 5 20 IIBD CC(C)(Sc1ccc(Br)cc1)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 769623622 PIKXECMORWIVDM-UHFFFAOYSA-N 449.330 4.421 5 20 IIBD Cc1noc(C)c1CCNc1ccc([N+](=O)[O-])c(NCCc2c(C)noc2C)c1[N+](=O)[O-] 771148283 SJLBXBXAFIFZSC-UHFFFAOYSA-N 444.448 4.022 5 20 IIBD O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)Oc1cc(F)cc([N+](=O)[O-])c1 771484574 XUWROFDCSRQSJX-UHFFFAOYSA-N 440.412 4.272 5 20 IIBD C[C@H](OC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1nc(-c2cccc(F)c2)no1 772208002 RLGLNBVYCXWIRP-VIFPVBQESA-N 436.193 4.464 5 20 IIBD O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)c1cccnc1OCC(F)(F)F 773395118 ZGIOCJICHCWXCD-UHFFFAOYSA-N 435.152 4.050 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CSc1nnc(C3CC3)n1Cc1ccccc1)CC2 773990879 PODOWQQXLDOQEX-UHFFFAOYSA-N 449.536 4.102 5 20 IIBD C[S@@](=O)c1cccc(C(=O)O[C@@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])c1 774376130 YUVDSQKAHOKYEH-YHAMSUFESA-N 440.315 4.140 5 20 IIBD COc1ccc(/C=C/C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cc1OC 775496130 STCXCLYLARLPAG-PKNBQFBNSA-N 425.466 4.412 5 20 IIBD O=C(OCc1ccccc1[N+](=O)[O-])/C(=C\c1cccs1)n1nnnc1-c1ccccc1 779920983 BJFJRKNHHCSBBL-CPNJWEJPSA-N 433.449 4.051 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)c1ccc2c(c1)CC(=O)N2C 780282256 GUEMIYOGCHHAFD-CYBMUJFWSA-N 442.493 4.044 5 20 IIBD CCOc1ccc(-c2noc(COC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)n2)cc1 781260518 VLDOMYYSLHSARD-UHFFFAOYSA-N 441.443 4.487 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1[N+](=O)[O-] 782814494 JHUOBJAXNQJWHU-IFXJQAMLSA-N 429.473 4.444 5 20 IIBD C[C@H](OC(=O)c1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1)c1ccccc1[N+](=O)[O-] 784847321 ARRHQVJHZATKMW-DOTOQJQBSA-N 444.488 4.281 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)Cc2ccc3c[nH]nc3c2)c2ccccc2)c([N+](=O)[O-])c1 786567285 FJJOGDNOCFQSRQ-QHCPKHFHSA-N 444.447 4.245 5 20 IIBD O=[N+]([O-])c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1 789570829 MCHUFGGYWUPHNF-UHFFFAOYSA-N 431.401 4.038 5 20 IIBD COc1ccc(/C=C/c2ccnc(-c3cccc([N+](=O)[O-])c3)[n+]2[O-])c(Br)c1 794700575 QNOSCPYXPQJSCI-FNORWQNLSA-N 428.242 4.232 5 20 IIBD C[C@H](Nc1ccc(C(=O)OCc2cc(Br)no2)cc1[N+](=O)[O-])c1ccccn1 795348341 FUZBRKFCSXWENR-NSHDSACASA-N 447.245 4.270 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 797459124 BNPTUXVHURZDAV-CQSZACIVSA-N 447.257 4.161 5 20 IIBD O=C(COC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)Nc1ccc(Cl)cc1[N+](=O)[O-] 801898390 PVVWAJIXYUGFMR-OAHLLOKOSA-N 434.729 4.460 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1 803408486 IEQYVEYLELNNQL-UHFFFAOYSA-N 425.363 4.020 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Br)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 803533500 VVHRORVWLBZQEQ-OAQYLSRUSA-N 444.329 4.096 5 20 IIBD O=C(CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)NC[C@H]1CCCS(=O)(=O)C1 807801718 YLEKLZFLMSWLIA-QGZVFWFLSA-N 447.556 4.488 5 20 IIBD C[C@H](OC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(S[C@H]2CCCCNC2=O)cc1 809044726 BWUOTZYFCRKOSL-YWZLYKJASA-N 428.510 4.203 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)[C@@H]2C[C@H]2C2CCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] 810483140 RANUNQLGPRRQMK-AYOQOUSVSA-N 431.533 4.364 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811375451 ZNUJVMJYJVSVDM-UHFFFAOYSA-N 429.168 4.033 5 20 IIBD C[C@@H](CC(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(F)c(Br)c1 812611385 NTNZUGAMBDGTRQ-NSHDSACASA-N 439.237 4.172 5 20 IIBD CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 812831782 COLGKOANGVVARY-UHFFFAOYSA-N 446.312 4.183 5 20 IIBD O=C(NCc1cc2c(cc1OC(F)F)OCO2)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813052053 XYSMJNIIFHXODY-UHFFFAOYSA-N 435.166 4.162 5 20 IIBD O=C(Nc1cnn(-c2cnc3ccccc3n2)c1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813101116 QQMTUSWQUFRKRF-UHFFFAOYSA-N 429.223 4.283 5 20 IIBD CC(=O)[C@H](Cc1ccc(F)c(F)c1F)OC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 815510032 HHCWHZIVLQDQKN-AWEZNQCLSA-N 435.276 4.388 5 20 IIBD COc1cc(Cl)c(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1OC 815510507 ZJTXFCPBERUUSI-UHFFFAOYSA-N 447.749 4.324 5 20 IIBD C[C@H](N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1ccc(N)c([N+](=O)[O-])c1 815559555 KIRWTJWOKVSJBS-SCLBCKFNSA-N 436.434 4.210 5 20 IIBD COc1ccc(CCC(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1Cl 818174149 JCAUEFQVRNVXSV-UHFFFAOYSA-N 427.240 4.025 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)N[C@@H](c1ccccc1)C1CC1 831686344 UAFBYWNVRFZDNA-QHCPKHFHSA-N 437.496 4.009 5 20 IIBD Cc1c(C(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 915181311 RBLUZIIYCMNMNO-ZIAGYGMSSA-N 440.456 4.182 5 20 IIBD COc1cccc(Cc2cnc(NC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)s2)c1 915836464 LYSWHOMNMFXNGQ-UHFFFAOYSA-N 435.465 4.089 5 20 IIBD CC1=C(C(=O)OC(C)C)[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)NC(=S)N1 916191668 VNQOZGPLQFLWEN-KRWDZBQOSA-N 435.889 4.253 5 20 IIBD O=c1c2ccccc2nc(SC[C@H](O)c2cccc(F)c2)n1-c1ccc([N+](=O)[O-])cc1 916977414 HIYIGMUIUWBKCF-FQEVSTJZSA-N 437.452 4.259 5 20 IIBD O=C(COC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1)N[C@@H](c1ccccc1)c1cccs1 917330017 OKZQGDFVRCNYOZ-NRFANRHFSA-N 435.461 4.200 5 20 IIBD O=C(OCCCOc1ccc([N+](=O)[O-])cc1)c1cnc2c(cnn2Cc2ccccc2)c1 919052990 FIKKKZZZQYCZJV-UHFFFAOYSA-N 432.436 4.014 5 20 IIBD CN(c1ccc(Br)cc1Cl)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 919960675 ZAZSVQYUXUTLAO-UHFFFAOYSA-N 440.102 4.489 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 921154488 UBPCEUKWJQUNMO-AWEZNQCLSA-N 426.429 4.078 5 20 IIBD O=C(COc1ccc2cc(Br)ccc2c1)N1Cc2ccc([N+](=O)[O-])cc2C1 1116144013 NGGLEOYBCRKXEY-UHFFFAOYSA-N 427.254 4.432 5 20 IIBD O=C([C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)N1Cc2ccc([N+](=O)[O-])cc2C1 1318795876 UYZBEOVMVCDMPG-GOSISDBHSA-N 434.279 4.049 5 20 IIBD O=C(CCc1nc(-c2ccccc2)no1)OCc1ccc(Br)c([N+](=O)[O-])c1 1320997149 ZPLNOTDLTPLSQU-UHFFFAOYSA-N 432.230 4.083 5 20 IIBD CCS(=O)(=O)c1ccc([C@@H](C)NCc2ccc([N+](=O)[O-])cc2Br)cc1 1321911946 QUTRYPKXJJCEFW-GFCCVEGCSA-N 427.320 4.002 5 20 IIBD Cc1cc(C)cc(OCc2nnc(-c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)o2)c1 1322081821 LATDXRKGDRJTGY-UHFFFAOYSA-N 438.469 4.120 5 20 IIBD O=C1Nc2ccccc2[C@H]1C1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 1325218993 WORZXNGXSFJPHA-LJQANCHMSA-N 430.302 4.305 5 20 IIBD CCc1ccc(-c2nnc([C@H]3CCCCN3S(=O)(=O)c3ccc([N+](=O)[O-])cc3)o2)cc1 1326495799 CMFSDNYSNUCWGP-LJQANCHMSA-N 442.497 4.123 5 20 IIBD COC(=O)[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccccc1Cl 1328686017 DUCUQEOLWSSGJT-AWEZNQCLSA-N 428.622 4.082 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(-c3nn(-c4ccc(F)cc4)cc3Br)o2)c1 1341252796 HMLCGWZDEPCZCE-UHFFFAOYSA-N 430.193 4.399 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccc([N+](=O)[O-])o4)cc3)CCC2)c[nH]1 1786204380 BGJXJFPGXVHVIX-VQHVLOKHSA-N 434.452 4.285 5 20 IIBD O=C(CSC1CCCC1)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1 1786348766 MOMVPXSWFCNYJY-UHFFFAOYSA-N 442.541 4.346 5 20 IIBD COc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccn(C)c4)cc3)CCC2)ccc1[N+](=O)[O-] 1787240040 ORAWCBQWTBQXLS-UHFFFAOYSA-N 448.479 4.003 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@]3(F)CCCC=C3F)CCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 1790188315 DLIXETHTXAAJAV-QFIPXVFZSA-N 444.438 4.416 5 20 IIBD CCO/C=C/C(=O)Nc1ccc(C2(NC(=O)c3c(F)ccc([N+](=O)[O-])c3C)CCC2)cc1 1791741320 ODAUJTTURGHNFI-SDNWHVSQSA-N 441.459 4.340 5 20 IIBD CC[C@H](C)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3cccc([N+](=O)[O-])c3)CCC1)C2 1793367706 OZRDISMVHOXFTI-FFGOWVMKSA-N 427.545 4.091 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)[nH]n1)c1cccs1 1816345824 RIOBKBUWMNCXJA-MRXNPFEDSA-N 443.460 4.138 5 20 IIBD C/C=C/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)[nH]n1 1821911029 SHAHIBWPQPHWCL-ZJJSWAHQSA-N 437.500 4.075 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1)[C@@H]1C[C@H]1c1ccccc1 1822319480 COTXILBDBZQASJ-JZXOWHBKSA-N 449.467 4.021 5 20 IIBD O=C([C@@H]1CCC[C@@H]2CCCC[C@H]21)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)C1 1845314866 NYELZPQLFRZQQX-QXAKKESOSA-N 443.519 4.157 5 20 IIBD C[C@@H](OC(=O)c1ccccc1Br)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 3506867 HSUOZKFHVWHCME-SECBINFHSA-N 427.638 4.195 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1OC(F)F 8853988 JMBDWUQZTVGLLY-SECBINFHSA-N 444.774 4.042 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1 9248557 MVXOIGYVUOXKFM-UHFFFAOYSA-N 442.859 4.155 5 20 IIBD C[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)N[C@@H](C)c1ccc(F)cc1 10722909 QDENPBXOIRLPSB-IRXDYDNUSA-N 446.478 4.103 5 20 IIBD COc1ccc(Nc2nnc(S[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])s2)cc1 10786665 MHIYDXZDTQEMIT-LLVKDONJSA-N 431.499 4.318 5 20 IIBD Cc1ccc(-c2nc(C)sc2CC(=O)OCC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 11214378 AQIZNVUMAMILPI-UHFFFAOYSA-N 439.493 4.368 5 20 IIBD C[C@H](OC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(OCc2ccccc2)cc1 11468037 AQNMWRVWLCKPPR-KRWDZBQOSA-N 434.448 4.287 5 20 IIBD O=C(Nc1cc2ccccc2cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 14062450 WKNDPKAXHMEEMW-UHFFFAOYSA-N 444.491 4.059 5 20 IIBD COc1ccc2cc(/C=C/C(=O)NCCc3cc(OC)c(OC)cc3[N+](=O)[O-])ccc2c1 16143913 KBNFAVJPBKEIEG-WEVVVXLNSA-N 436.464 4.146 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccccc3Br)cc2)c(C)c1[N+](=O)[O-] 19676672 OTSWAMZPVKUFLR-UHFFFAOYSA-N 429.274 4.471 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCCc3nc4ccccc4[nH]3)cc2[N+](=O)[O-])n1 22313871 GMUXDNJOEYSAQQ-UHFFFAOYSA-N 439.522 4.360 5 20 IIBD O=C(Nc1cccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1)c1cccs1 24103233 NIJAEAIGSMZASX-UHFFFAOYSA-N 437.886 4.363 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(COc2cccc(F)c2)c1 26008612 XEZCQPKADJWLBI-OAHLLOKOSA-N 437.427 4.070 5 20 IIBD COc1ccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1NC(C)=O 27995353 PCUUPFYNZTZGFZ-GASCZTMLSA-N 440.500 4.296 5 20 IIBD O=C(CSc1nnc(C2CC2)n1-c1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] 28827466 HYTZDIFHQOCGEF-UHFFFAOYSA-N 429.889 4.437 5 20 IIBD COc1cc(C(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)c([N+](=O)[O-])cc1OC 29768005 QMPRXJGJYHXFQM-UHFFFAOYSA-N 429.454 4.305 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)NCC1(c2ccc3c(c2)OCCO3)CCCC1 105263073 ZRGRLQFTFPONLW-UHFFFAOYSA-N 428.510 4.086 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(N(Cc2ccco2)Cc2ccco2)c([N+](=O)[O-])c1 105542973 YTMLTRMLXDUTRB-UHFFFAOYSA-N 433.486 4.018 5 20 IIBD Cc1c(C(=O)Nc2cccc(COc3cccc(F)c3)c2)nnn1-c1cccc([N+](=O)[O-])c1 106146721 KEQQDVMRFJHJRW-UHFFFAOYSA-N 447.426 4.454 5 20 IIBD O=C(Nc1cccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1)c1ccncc1 117585660 HONAQIOLPGUFNL-UHFFFAOYSA-N 432.461 4.387 5 20 IIBD COc1ccc(-c2ccc(CNCCCC(=O)N3Cc4ccccc4C3)o2)c([N+](=O)[O-])c1 237415647 RFUDAFOWMCYKRO-UHFFFAOYSA-N 435.480 4.276 5 20 IIBD CCOc1cc(C(=O)N[C@@H](C)Cc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])cc1OC 303563797 XRJNQQXMELWDJB-LBPRGKRZSA-N 426.391 4.382 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl 409585477 FVMKFWCKHOETSE-UHFFFAOYSA-N 441.296 4.256 5 20 IIBD CC(C)c1ccc2c(c1)[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)CC2 427403979 LAOWQNBCVYSJJU-INIZCTEOSA-N 433.411 4.062 5 20 IIBD C[C@H]1CCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1(F)F 427542895 IDWVJGUSBOPQOU-LBPRGKRZSA-N 435.393 4.334 5 20 IIBD Cc1ccc(NC(=O)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1C(F)(F)F 427855581 SYXYFDAGIDXAFO-UHFFFAOYSA-N 449.307 4.196 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCC[C@@H]([C@H](O)C(F)(F)F)C3)c([N+](=O)[O-])c2)cc1 433793131 QPBDDXNMVLNRFP-BEFAXECRSA-N 437.418 4.295 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCc1nc(-c2ccc(Br)cc2)n[nH]1 436381549 BIQKXSYDILYMST-UHFFFAOYSA-N 443.183 4.168 5 20 IIBD O=C(CCCC(=O)c1ccc(Br)cc1)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 438879441 VNABKSBIFFZJBP-UHFFFAOYSA-N 431.246 4.225 5 20 IIBD Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccc4cc([N+](=O)[O-])ccc4n3)c12 440617909 LUOIHMLADTVZAX-UHFFFAOYSA-N 443.394 5.046 5 20 IIBD C[C@H]1CCN(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)[C@H]1CO 443625228 UAJPNMLWUDDZQC-SJCJKPOMSA-N 437.855 4.092 5 20 IIBD COC(=O)COc1ccc(CNc2cccc3cncc(Br)c23)cc1[N+](=O)[O-] 444009175 JAJIONGLOPMYRP-UHFFFAOYSA-N 446.257 4.069 5 20 IIBD COc1ccccc1[C@]1(C)C[C@H]1NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444092152 CCOOTXWJVHLMMY-NLFFAJNJSA-N 434.442 4.428 5 20 IIBD O=C(NCc1cccc(-c2ncc[nH]2)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444289607 HWYCYFKPXUXOKQ-UHFFFAOYSA-N 430.414 4.280 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(C2CCCC2)c1C 444439066 UUVGSWHQVXUXDQ-UHFFFAOYSA-N 432.502 4.122 5 20 IIBD O=[N+]([O-])c1ccc2nc(CN(Cc3cccc(Br)c3)C3CCOCC3)[nH]c2c1 444677349 TVAMOEBWVLOWRT-UHFFFAOYSA-N 445.317 4.415 5 20 IIBD O=C(CCn1c(=O)oc2ccccc21)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] 446426274 PLPOULNANMVCTI-UHFFFAOYSA-N 433.420 4.111 5 20 IIBD CCCCOc1ccc(-c2nnc(NS(=O)(=O)c3c([N+](=O)[O-])ccc(C)c3C)o2)cc1 446776107 LXXFWRQACVDMED-UHFFFAOYSA-N 446.485 4.241 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 446902992 TZIWUGLHAJSNMB-CYBMUJFWSA-N 433.390 4.189 5 20 IIBD CCCc1c(NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)cnn1-c1cccc(C)c1 446985166 QMAJCNHZFNDBQB-UHFFFAOYSA-N 445.483 4.183 5 20 IIBD Cc1ccc(NC(=O)C2CC2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 447004671 CBAZGTWXEZMZSG-UHFFFAOYSA-N 443.403 4.071 5 20 IIBD CCN(C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1ncc(C(=O)OC)s1 462080644 WKBGVZBJIMNPSU-UHFFFAOYSA-N 426.454 4.248 5 20 IIBD CC[C@@H](NC(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-])C(C)(C)c1ccccc1 465602995 STVAVOZQPHTKAK-OAQYLSRUSA-N 429.517 4.210 5 20 IIBD O=C(CCCNC(=O)[C@@H]1CC=CCC1)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] 466340008 NMSGNLFIWQDTBT-LJQANCHMSA-N 437.496 4.365 5 20 IIBD Cc1c(C(=O)NC[C@H](C)c2ccc(C(F)(F)F)cc2)nnn1-c1cccc([N+](=O)[O-])c1 468289144 KUIJDFNODVPCGM-LBPRGKRZSA-N 433.390 4.036 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cccc(N3CCC3=O)c2)cc1 468698217 GOTKSDFSAPXXSB-UHFFFAOYSA-N 433.420 4.385 5 20 IIBD COC[C@H]1CCCCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 469188958 GBMNRCWPWSLOKI-HNNXBMFYSA-N 445.903 4.389 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC[C@@H](C)c1cccc(C(F)(F)F)c1 470220871 UKECEEOGBCDWCH-WBMJQRKESA-N 441.454 4.156 5 20 IIBD CC(C)(C)[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c2ccccc21 470300650 YZDQPIZATPDNNW-WBVHZDCISA-N 427.526 4.437 5 20 IIBD Cc1c(NC(=O)C(=O)N(C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] 471187125 OKNCPQNGYPEPAV-NSHDSACASA-N 440.283 4.074 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1 472718905 YOVXDRXXDJJVOD-KRWDZBQOSA-N 446.472 4.234 5 20 IIBD COC(=O)COc1ccc(CN(C)[C@H](C)c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] 475557725 BKVCNGPWFSUJNY-CYBMUJFWSA-N 426.391 4.358 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCO[C@H](c2ccc(F)cc2Cl)C1 475866652 NXOIDYIDKOOPRU-INIZCTEOSA-N 443.656 4.364 5 20 IIBD O=C(NC[C@H]1CCCC1=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 476911440 FFYCWCPBXIAQKJ-CYBMUJFWSA-N 427.507 4.455 5 20 IIBD O=C(NCc1noc(-c2ccccc2F)n1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 477152189 OHVSZHKTBWNJNV-UHFFFAOYSA-N 447.426 4.326 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C(=O)OC(C)(C)C)c2ccccc2)cc1SC 479579315 ZBZLRWPHWBSZEB-GOSISDBHSA-N 432.498 4.138 5 20 IIBD CCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@H](c1cccnc1)c1csc2ccccc12 480996715 FMQXZRUGDALLIQ-HSZRJFAPSA-N 448.504 4.004 5 20 IIBD C[C@@H](NCc1cccnc1N1CCN(C)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 481240340 HTWHFTUHUVYZMH-QGZVFWFLSA-N 437.569 4.321 5 20 IIBD COc1ccc(-n2c(S[C@@H](C)c3ccccc3[N+](=O)[O-])nnc2-c2cnccn2)cc1 481338537 JOEJTSUWSDOWIK-AWEZNQCLSA-N 434.481 4.494 5 20 IIBD COc1cc(OCC(=O)NC2(c3cc(C(F)(F)F)ccc3Cl)CC2)ccc1[N+](=O)[O-] 482163181 KXQKJBOGUKLFPK-UHFFFAOYSA-N 444.793 4.460 5 20 IIBD C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C[C@]2(CCCOC2)O1 482993456 JYTRIRRKFHVMCV-AOMKIAJQSA-N 434.558 4.287 5 20 IIBD Cc1c(CNC(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2F)cccc1[N+](=O)[O-] 484104258 CPJLQXPEVWESMK-UHFFFAOYSA-N 438.463 4.349 5 20 IIBD CC(C)([C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1F)c1ccc(F)c(F)c1)N1CCCC1 486569392 WRAOFANFGWTFNR-NRFANRHFSA-N 435.446 4.287 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2oc(C(=O)OC)cc2c1 488314685 XWVGLIRTURMQAE-UHFFFAOYSA-N 430.438 4.118 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 489002174 KXPDDGSKEIETQZ-UHFFFAOYSA-N 446.510 4.113 5 20 IIBD Cc1ccc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(OC[C@H]2CCCO2)c1 491410421 QTHDYEYHCURSEK-JOCHJYFZSA-N 439.512 4.335 5 20 IIBD COc1c(F)cc(S(=O)(=O)N[C@@H](Cc2ccccc2)c2cccs2)cc1[N+](=O)[O-] 491606362 FCEHEXTULZEMFH-INIZCTEOSA-N 436.486 4.066 5 20 IIBD O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 498904758 UDVJOUPDYOBJSD-IBGZPJMESA-N 446.511 4.222 5 20 IIBD COc1ccc(C[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c2ccc(OC)cc2)cc1 499053718 GYERWDWMWMIGTB-DEOSSOPVSA-N 449.507 4.433 5 20 IIBD COc1cc(C(=O)N2CCCc3c(NC(C)=O)ccc(C)c32)c([N+](=O)[O-])cc1OC(F)F 499392049 SBLFMNXEKUCBJT-UHFFFAOYSA-N 449.410 4.065 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1 499475721 YEGMRRSSOFHSDO-UHFFFAOYSA-N 428.452 4.052 5 20 IIBD COc1cc(C(=O)Nc2cc(Cl)ccc2N2CCSCC2)c([N+](=O)[O-])cc1OC 499476641 WAGGVYFMGPHNCH-UHFFFAOYSA-N 437.905 4.071 5 20 IIBD CCCN(CCO)C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 501714425 NGVWGEKVBAWIFR-VKAVYKQESA-N 425.510 4.366 5 20 IIBD COc1cc(CCNC(=O)Cc2csc3ccc(Cl)cc23)c([N+](=O)[O-])cc1OC 502246212 CYAQHHSDDOWKCW-UHFFFAOYSA-N 434.901 4.382 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC[C@H](Oc2ccccc2Cl)C1 504647948 SSKNZYAFOZXSJY-INIZCTEOSA-N 426.860 4.118 5 20 IIBD COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(OC)c1 504971734 WFHLDPJSCJEDSR-HNNXBMFYSA-N 435.274 4.352 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1cccc(NC(=O)Nc2ccccc2)c1 505066683 PJHJJFYAMZCXKD-UHFFFAOYSA-N 434.456 4.472 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NC[C@H](c2cccs2)N(C)C)cc1[N+](=O)[O-])c1ccccn1 505997015 RKNFAGFPONLCQE-FOIQADDNSA-N 439.541 4.257 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 509151105 JGLYMIFAJRGLTI-UHFFFAOYSA-N 437.930 4.235 5 20 IIBD COc1ccc(-c2n[nH]c(SCc3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])n2)cc1 514723565 OQPJAGLHVJIOFL-UHFFFAOYSA-N 438.412 4.291 5 20 IIBD COc1ccccc1NC(=O)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 518521908 QPZFKVRHSOHHOV-UHFFFAOYSA-N 432.864 4.139 5 20 IIBD COc1ccc(CSCc2nc(-c3ccc(N4CCCCC4)nc3)no2)cc1[N+](=O)[O-] 518876894 KENOURQBXCRXRL-UHFFFAOYSA-N 441.513 4.472 5 20 IIBD CCN(CC)[C@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1ccccc1 522628377 YEUHWPVDPXZKQO-HXUWFJFHSA-N 441.919 4.289 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1nc2ccccc2n1C1CCCC1 524890406 CVHXUPKNIZTVPP-UHFFFAOYSA-N 441.875 4.082 5 20 IIBD Cc1c(NC(=O)N2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)cccc1[N+](=O)[O-] 524993752 AYBLFBDUMYSAGN-UHFFFAOYSA-N 436.512 4.338 5 20 IIBD COc1cc(C(=O)Nc2nc(C)c(Cc3cccc(F)c3)s2)cc([N+](=O)[O-])c1OC 525044259 JYJKPPCSOLZHGD-UHFFFAOYSA-N 431.445 4.359 5 20 IIBD CC(C)(C)c1csc(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)n1 531027185 VDLIVPJHSRYRTM-UHFFFAOYSA-N 426.336 4.013 5 20 IIBD Cc1ccc(Cn2cccc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])c2=O)cc1 532817022 XISWIJQMHKGGJX-UHFFFAOYSA-N 442.269 4.128 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1nc2ccccc2s1 534256425 ZWAHZBXXFAYSTD-UHFFFAOYSA-N 445.522 4.132 5 20 IIBD Cn1c([C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)c2ccccc2)nc2ccccc21 535431651 QACUSAKHMHTVRQ-QFIPXVFZSA-N 429.480 4.113 5 20 IIBD CCc1ccc(-c2noc(C[S@@](=O)Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)n2)cc1 536304517 CHZDOLRWLWCWRN-HKBQPEDESA-N 438.465 4.311 5 20 IIBD O=C(Nc1cncnc1-n1cccn1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 537463732 YBBBGCZPLXXLLU-UHFFFAOYSA-N 436.815 4.269 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 538539843 KRWFDSLUHRQBHW-QZTJIDSGSA-N 428.432 4.369 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 540114208 KHCYEKBQBRLNBU-UHFFFAOYSA-N 429.305 4.447 5 20 IIBD O=C(CN1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] 542942985 YJVUNMHPRSGLTI-KRWDZBQOSA-N 443.809 4.279 5 20 IIBD CCc1ccc(-c2noc([C@H](C)NCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 544516843 JMXAJVVJXMTJAV-LBPRGKRZSA-N 429.864 4.150 5 20 IIBD O=[N+]([O-])c1ccccc1OCc1nc(Cc2c[nH]c3cc(Br)ccc23)no1 545128954 NSJPCGIDABTWOG-UHFFFAOYSA-N 429.230 4.391 5 20 IIBD COc1ccc(Cl)cc1N1C[C@@H](c2nc(-c3ccc(C)c([N+](=O)[O-])c3)no2)CC1=O 545576744 RMBTVAAOMFUBKM-ZDUSSCGKSA-N 428.832 4.136 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N1CCOCC2(CCC2)C1 546864823 QEPPTHWXJOSDBI-UHFFFAOYSA-N 446.507 4.019 5 20 IIBD CC(C)[C@H](NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(Cl)cc1 550316421 DXFJAMAQNGZEOL-FQEVSTJZSA-N 429.904 4.253 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)s1 553241504 GIVLSHJXPUPFJJ-GFCCVEGCSA-N 434.461 4.463 5 20 IIBD COC(=O)[C@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1ccc(Cl)c(F)c1 553366857 LNZKFXSEPXWBHF-GOSISDBHSA-N 443.818 4.093 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCc1ccc(-n2ccnc2C)c(F)c1 555789151 PEWSCRJQAUDLLN-UHFFFAOYSA-N 447.264 4.229 5 20 IIBD CCN(CC)C(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1 555815902 ZIYMOKSGLXMOQT-UHFFFAOYSA-N 448.317 4.078 5 20 IIBD Cc1cccc(-n2c(C)c(C)c3c(NC(=O)c4cc5c(cc4[N+](=O)[O-])OCO5)ncnc32)c1 562324038 UVTPBYQNFSDMKE-UHFFFAOYSA-N 445.435 4.235 5 20 IIBD COc1ccc(CN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)[C@H](C)C2CC2)cc1 562398250 JYAACRFVOWIXPC-MRXNPFEDSA-N 435.480 4.358 5 20 IIBD Cc1c([N+](=O)[O-])cn(Cc2cccc(C(=O)Nc3ccccc3)c2)c(=O)c1Br 568133141 MHGODXCWGBXVLA-UHFFFAOYSA-N 442.269 4.128 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(c2ccnc3ccccc23)CC1 573045586 VPORIECUIZGQOT-MRXNPFEDSA-N 430.468 4.076 5 20 IIBD C[C@H](CN(C)c1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])c1nccs1 581512203 RKSPJJYUKLBYRX-CQSZACIVSA-N 432.527 4.092 5 20 IIBD CC(=O)N(C)CCc1noc(-c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)n1 583590267 IXYJMEDXDUANDN-UHFFFAOYSA-N 432.889 4.470 5 20 IIBD CCN(CC(=O)N1CCCCCC1)C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 588058680 YBPRKIGPSIBZQQ-UHFFFAOYSA-N 439.512 4.039 5 20 IIBD CC(C)c1ccc(C(=O)N2CC[C@@H](Oc3cncc(Br)c3)C2)cc1[N+](=O)[O-] 590555950 CAHJIWNVLFWJOB-OAHLLOKOSA-N 434.290 4.169 5 20 IIBD COc1ccc(C(=O)N2CCC(C(=O)N(C)c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc12 590645573 LGKZBLUCLPNPQK-UHFFFAOYSA-N 447.491 4.272 5 20 IIBD COc1cc(C(=O)Nc2ccccc2CN2CCc3ccccc32)c([N+](=O)[O-])cc1OC 603974907 WTRFCKNUQVKWSL-UHFFFAOYSA-N 433.464 4.427 5 20 IIBD COc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 604435106 UGTODTPPMZYOKY-QFIPXVFZSA-N 433.420 4.146 5 20 IIBD COc1cc(C(=O)Nc2ccc(C)c(OCC(F)F)c2)c([N+](=O)[O-])cc1OC(F)F 608850917 NMMPQZCHYHWBDA-UHFFFAOYSA-N 432.326 4.409 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N(CC1CC1)C1CCCCC1 609022288 ZXUMHWMJBLHPRG-UHFFFAOYSA-N 428.270 4.384 5 20 IIBD COc1cccc(OC)c1OC1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 609193117 IWVZZCHGKUZWDU-UHFFFAOYSA-N 430.501 4.443 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 609296167 GUBULSJQHCWOQR-UHFFFAOYSA-N 432.908 4.291 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)Cn1c(-c2cccc(Oc3ccccc3)c2)noc1=O 609496020 FOJLSHSYKLDSJL-UHFFFAOYSA-N 446.419 4.151 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCCC[C@H]1c1noc(C2CC2)n1 609975272 NASMEZUGCFASTF-HNNXBMFYSA-N 440.378 4.164 5 20 IIBD O=C(Nc1ccccn1)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c1 610043067 APSJZUHXLGUPTD-UHFFFAOYSA-N 441.241 4.257 5 20 IIBD CC(C)(C(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1ccc([N+](=O)[O-])cc1 610045657 UEDMUXOANWVVMS-HNNXBMFYSA-N 437.418 4.166 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1CN1CCC(c2c(OC)cc(OC)cc2OC)CC1 610476273 ZYLCTGHZHMHGIT-UHFFFAOYSA-N 430.501 4.399 5 20 IIBD O=[N+]([O-])c1cnn(CCNCc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)c1 610890201 QGPFWDDUHQDDBZ-UHFFFAOYSA-N 428.452 4.180 5 20 IIBD CC(=O)N1CCCN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c2ccccc21 611073243 KKRLOCRGKCEHPE-UHFFFAOYSA-N 432.274 4.069 5 20 IIBD O=C(Nc1ccn(-c2ncccc2F)n1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 611163692 OHIHZYIEPXSMGA-UHFFFAOYSA-N 432.415 4.179 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 614546816 HSVYWQBSIBSRGZ-DEOSSOPVSA-N 429.432 4.123 5 20 IIBD Cc1cc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)nn1CCCOc1ccc(F)cc1 617757484 KWXTWRYZCKFGPB-MRXNPFEDSA-N 426.448 4.450 5 20 IIBD C[C@H](Oc1ccccc1C(F)(F)F)C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 727206723 ZSIHDGYJLMHICH-JTQLQIEISA-N 446.765 4.216 5 20 IIBD COc1ccc([C@H](OC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[C@@H](C)n2cccn2)cc1 729805005 UYTYLSRZKNPJBY-OPAMFIHVSA-N 447.451 4.145 5 20 IIBD Cc1cccc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1NC(=O)c1ccccc1F 731651688 RSCHVCYJYAJAIK-UHFFFAOYSA-N 437.427 4.103 5 20 IIBD Cc1c(C(=O)NC[C@H](CC(C)C)N[C@H](C)c2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 732293117 CLTGODQWSJUPBC-AEFFLSMTSA-N 428.489 4.307 5 20 IIBD CCCCN(C)CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)CC1 733162715 SMRYVKGNPIUYHD-UHFFFAOYSA-N 430.593 4.415 5 20 IIBD COc1ccc(CNC(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)cc1[N+](=O)[O-] 733639284 CGVCVDYNMZIFJC-UHFFFAOYSA-N 429.820 4.161 5 20 IIBD COc1ccc(CCN(CC(C)C)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc1OC 734394759 OUVUYXSMDDBMML-UHFFFAOYSA-N 445.472 4.170 5 20 IIBD C[C@H](CN(C)C(=O)OC(C)(C)C)c1noc(CCOc2ccc(Cl)cc2[N+](=O)[O-])n1 734976987 XTUDKKSIGWGLIF-GFCCVEGCSA-N 440.884 4.223 5 20 IIBD O=C(CCC[S@](=O)c1ccc(Br)cc1)OCc1cc(F)ccc1[N+](=O)[O-] 735209835 IUWSUMULDWWDSY-SANMLTNESA-N 444.278 4.128 5 20 IIBD C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2Br)CCN1Cc1ccccc1 737680685 WAJZEPYGAZRBQI-RDJZCZTQSA-N 446.345 4.482 5 20 IIBD COc1cc(N2CCC(OC(=O)c3cccn3Cc3cccs3)CC2)ccc1[N+](=O)[O-] 739379019 BYJOKDDBDLAKCD-UHFFFAOYSA-N 441.509 4.341 5 20 IIBD CCc1nc(C)c([C@H](C)OC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)s1 741137962 NUAKNKKZVSMHCF-NSHDSACASA-N 433.515 4.120 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)no1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 742147321 AJGJZZSURDKHNJ-UHFFFAOYSA-N 436.447 4.170 5 20 IIBD C[C@H](OC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(=O)Nc1ccc(Cl)c(Cl)c1 744733320 CFFJGSONIIEINH-NSHDSACASA-N 449.250 4.271 5 20 IIBD C[C@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 747958664 RTGTVYVEFWZMQL-VWPFQQQWSA-N 431.514 4.205 5 20 IIBD O=C(OCCn1ccc([N+](=O)[O-])n1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 748109170 NTGBGENJZOYHRE-UHFFFAOYSA-N 432.776 4.002 5 20 IIBD Cc1c(C(=O)O[C@@H](C(=O)N(C)C2CCCCC2)C(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748950045 YHEOPEIBXSDEGI-LJQANCHMSA-N 435.477 4.092 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3nc(C4CC4)oc3c2)cc1Br 751142667 OSTCKPKJCCSTGF-UHFFFAOYSA-N 438.259 4.177 5 20 IIBD Cc1ccccc1[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2I)C1 751155338 ZAQWQKIGZREZPQ-CYBMUJFWSA-N 436.249 4.138 5 20 IIBD O=C(NCCCCOc1ccc(F)cc1)c1cc(F)cc([N+](=O)[O-])c1Br 754632327 QUXQDEAPMUNWLC-UHFFFAOYSA-N 429.217 4.225 5 20 IIBD Cc1cc(C)c(NC(=O)CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c(C)c1 755023822 JFHCQKFZRZMWMR-UHFFFAOYSA-N 435.278 4.043 5 20 IIBD C[C@](O)(CC(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CC1 756320465 MAZZCAWDXLLDFR-FPOVZHCZSA-N 432.860 4.022 5 20 IIBD C[C@@H]1C[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2Br)CCN1Cc1ccccc1 758417457 BBKJMONNKJVZPF-WBVHZDCISA-N 446.345 4.482 5 20 IIBD COc1ccc(C(=O)[C@@H](C)OC(=O)c2cccc([N+](=O)[O-])c2Br)cc1Cl 758526202 FIYSETHZJSOFGL-SECBINFHSA-N 442.649 4.448 5 20 IIBD CCN(Cc1cccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1)C(=O)C(F)(F)F 758985925 IERNTJJRQGOCCH-UHFFFAOYSA-N 448.401 4.168 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@H](C)Oc3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] 759515103 CBIDDMKYNAJZKT-AWEZNQCLSA-N 434.876 4.236 5 20 IIBD CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2csc(Cl)c2Cl)NC(=S)N1 761924573 DFMBHNOPCYSQMF-CYBMUJFWSA-N 443.337 4.395 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc(Cc2csc(NC(=O)Cc3cccs3)n2)n1 762069536 MSKBZZWYSLCWPV-UHFFFAOYSA-N 441.494 4.243 5 20 IIBD Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)c2oc(C)nc2C)n1 767258766 XAPYXECDPFLPQA-UHFFFAOYSA-N 433.467 4.155 5 20 IIBD O=C(NC[C@@H](O)c1ccc(-c2ccccc2)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 768559847 QGYKKTKNRSXKBS-RUZDIDTESA-N 445.519 4.328 5 20 IIBD O=C(NCc1ccc(NC(=O)c2ccncc2)cc1)Nc1ccc([N+](=O)[O-])c(Cl)c1 770015731 KWOQREOZWCFTJU-UHFFFAOYSA-N 425.832 4.217 5 20 IIBD Cn1cc([C@@H](O)C[C@@H]2CCCN2Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cn1 770389710 ZXQFBCSIWIXLSK-UGKGYDQZSA-N 440.475 4.348 5 20 IIBD CCCCn1cc(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1 771230082 LNCDWZOHBCNLBM-LJQANCHMSA-N 442.516 4.142 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 772462329 WYKWJIDQRYQGNQ-UHFFFAOYSA-N 449.850 4.321 5 20 IIBD COc1cccc(C(=O)OCc2nc(O)c3c(-c4ccccc4)csc3n2)c1[N+](=O)[O-] 774122454 IXZFMHVIUUAKLQ-UHFFFAOYSA-N 437.433 4.338 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)c1ccc(NC(C)=O)cc1 780282708 JXHUVWYINNNZFP-ZDUSSCGKSA-N 430.482 4.484 5 20 IIBD O=C(N=c1cc[nH]cc1F)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 782382451 ARIZGLSBQQBJPU-UHFFFAOYSA-N 434.471 4.262 5 20 IIBD O=[N+]([O-])c1cc(CNC(=S)Nc2ccc3c(c2)OCCCO3)cc(C(F)(F)F)c1 782386456 CXYGJWTYEFCGAE-UHFFFAOYSA-N 427.404 4.262 5 20 IIBD O=C(N[C@@H]1CCCC2(C1)OCCO2)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 782866177 SZJNFEDAGGADFQ-MRXNPFEDSA-N 445.903 4.276 5 20 IIBD O=C(Nc1ccccc1SC(F)(F)F)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 783298666 OKPXERNJHCDAAU-UHFFFAOYSA-N 439.415 4.336 5 20 IIBD CSc1ccc(C(=O)N2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)cc1[N+](=O)[O-] 784568481 XTLRFHXMYBKQRO-HRCADAONSA-N 435.546 4.082 5 20 IIBD O=C(c1cc(-c2ccccc2)nn1-c1ccccc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 785586163 BHUBIVAKVZJEMA-UHFFFAOYSA-N 442.479 4.121 5 20 IIBD C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 786931731 QFAAGOVGZKYNQR-CXAGYDPISA-N 447.454 4.118 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 787607237 VTCONGDVWOUVDF-CQSZACIVSA-N 431.411 4.019 5 20 IIBD O=C(N[C@H]1CCc2ccc(F)cc21)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 790711118 JCALBJLHKBCGDO-KRWDZBQOSA-N 434.265 4.252 5 20 IIBD CSc1ccc(C(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)cc1[N+](=O)[O-] 794027085 UXPGBMFFWQAYKY-QGZVFWFLSA-N 443.525 4.095 5 20 IIBD O=C(c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N(CC1CCC1)CC1CC1 794394321 VAJCWPWDPUFEMD-UHFFFAOYSA-N 444.509 4.015 5 20 IIBD C[C@@H](N[C@H](C)c1ccc(Br)cn1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 796499760 XUWSAUYDPOWOCB-NXEZZACHSA-N 427.686 4.084 5 20 IIBD O=C(COC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)c1ccccc1 798128072 LQISFHJYMHRFNR-QINSGFPZSA-N 430.416 4.021 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(C)(C)C 799089782 WPMBUNGFSFQAPO-HXUWFJFHSA-N 437.540 4.351 5 20 IIBD C[C@@H](OC(=O)c1cc(F)c(C(F)(F)F)cc1F)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 805595115 ZBPFZCDXEAEDBS-SSDOTTSWSA-N 436.264 4.215 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@@H](COCc3ccccc3)C2)c(Cl)cc1Cl 809821359 RFJKKAKDCHSYIH-CQSZACIVSA-N 445.324 4.129 5 20 IIBD CCOC(=O)[C@@H](C)NC(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 811501024 DBRUGDIQPSPIPD-LLVKDONJSA-N 440.283 4.195 5 20 IIBD O=C1C[C@@H](c2cccc(Cl)c2)CN1CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 812284655 IGTPRFGIJLBNKR-QGZVFWFLSA-N 429.904 4.065 5 20 IIBD C[C@H](OC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(c1nccs1)C1CCCCC1 812532045 FQCWCUCVWSIJJR-LMRWQKIVSA-N 429.498 4.362 5 20 IIBD Cc1cc(Cl)c(C(=O)OCC(=O)Nc2ccc(Br)cc2F)cc1[N+](=O)[O-] 815406236 ADJPXPOMWQPPHE-UHFFFAOYSA-N 445.628 4.254 5 20 IIBD CCc1cccc(CC)c1NC(=O)[C@H](C)OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 855086277 UFXUGOHHEIZHTF-HNNXBMFYSA-N 436.468 4.089 5 20 IIBD CCOC(=O)c1c(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)sc2ccccc12 918598118 SAHQFSQKRCEDNR-UHFFFAOYSA-N 436.449 4.424 5 20 IIBD Cc1ccc(CN(C(=O)COC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 918874668 HQUJKYWDFMABAE-MRXNPFEDSA-N 428.510 4.118 5 20 IIBD CC(C)[C@@H](NC(=O)COc1cc(Cl)ccc1[N+](=O)[O-])c1ccc2c(c1)OCCCO2 920993111 OZWUJUMDAPQOLQ-OAQYLSRUSA-N 434.876 4.302 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Oc1ccc2ccc(=O)oc2c1 928995396 PTPIUFVHPZZSPF-UHFFFAOYSA-N 425.340 4.418 5 20 IIBD CCOCCCNC(=O)C1CCN(Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 1116439949 ZHKCBMZXVRYGGW-UHFFFAOYSA-N 449.935 4.263 5 20 IIBD Nc1c(C(=O)Nc2ccc(OCc3ccncc3)cc2)cc(Br)cc1[N+](=O)[O-] 1116935286 VTRMKJQSFZKMNX-UHFFFAOYSA-N 443.257 4.166 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1I)c1ccc(F)c(F)c1 1318163212 LWCMYKCQKMORHI-MRVPVSSYSA-N 433.148 4.396 5 20 IIBD CCS(=O)(=O)c1cccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1 1318928410 HTZRGWYVPNPESC-IYBDPMFKSA-N 445.541 4.123 5 20 IIBD CCCOc1cc(NC(=O)c2ccn(-c3ccncc3)n2)c([N+](=O)[O-])cc1OCCC 1324654582 OIINMTRUIXFICO-UHFFFAOYSA-N 425.445 4.005 5 20 IIBD COc1ccc(Br)cc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 1337581473 COWXBRFZUZHZJU-UHFFFAOYSA-N 434.290 4.221 5 20 IIBD O=C([C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1338692211 ZWYGHVJICWHQTG-MOPGFXCFSA-N 434.323 4.350 5 20 IIBD Cc1ccc(C(=O)N(C)C)cc1OC(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 1516675866 SGZXMKALUSPUTD-IYBDPMFKSA-N 439.512 4.307 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)NC1(c2ccc(NC(=O)[C@H]3C[C@@H]3C3CC3)cc2)CCC1 1786049533 SEWLYKHLYFNCOI-XHNDXGPJSA-N 435.480 4.381 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3nc[nH]c3[N+](=O)[O-])cc2)CCC1)c1cc2ccccc2o1 1788612274 MIPASFPWMDQZPI-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD CC1=CC[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])C3)CC1 1797689849 QPZJFRAFUFFPGX-GEALJGNFSA-N 445.947 4.175 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H]1C[C@@H]2CC[C@H]1C2 1801731978 BUVYWHAHWJFEMM-SGGJHTDTSA-N 437.540 4.073 5 20 IIBD C[C@@H]1CCC[C@@H]1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2F)n[nH]1 1821054558 ODZZHKRCDDBMCY-WTANOLMUSA-N 443.479 4.199 5 20 IIBD CC(C)(C)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(F)c2[N+](=O)[O-])n[nH]1 1821170726 XEKOJTSWEFQEGP-INIZCTEOSA-N 431.468 4.199 5 20 IIBD C[C@@H]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1828488121 UOFPFEAVZLIJSY-GTCCEBARSA-N 445.535 4.403 5 20 IIBD C[C@@H]1C[C@]1(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1830228243 QRLCMAKQTDYQFD-VGQNAGHKSA-N 439.556 4.274 5 20 IIBD O=C(C1=CCCC1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830494539 AUVKFQGDYFXSFU-NRFANRHFSA-N 429.492 4.078 5 20 IIBD CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccccc3[N+](=O)[O-])CC2)CCC1 1832899704 DYRCTDZWDDRLKW-ZJVMWOEPSA-N 439.556 4.418 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)CSCc1cccc(Cl)c1 10147052 LLVFHFRHSZXNFM-LBPRGKRZSA-N 438.889 4.060 5 20 IIBD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c2cnn(C(C)C)c2n1 10206648 YTOYLAKJGZNWMI-GFCCVEGCSA-N 445.863 4.066 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(NC(=O)c2ccco2)cc1 11146304 LRRHOFDZNHBAHA-AWEZNQCLSA-N 425.466 4.237 5 20 IIBD COc1ccc(C(=O)O[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 11342093 BOFNYYAEBVGNEZ-INIZCTEOSA-N 434.448 4.055 5 20 IIBD CC(C)OC(=O)C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1[N+](=O)[O-] 15363463 MXYMBVLSHXNGGT-FQEVSTJZSA-N 442.493 4.109 5 20 IIBD COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nc3cc4ccccc4cc3c(=O)n2C)c1C 22254238 OCHPANHDLUPVDP-AWEZNQCLSA-N 449.532 4.182 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)COc2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-] 22465823 HVMPONVJXSIUAH-NSHDSACASA-N 427.240 4.159 5 20 IIBD Cc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1F 22743959 FRPAXHXMYQJRPT-UHFFFAOYSA-N 443.456 4.024 5 20 IIBD CN(C)c1ccc([C@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)c2c[nH]c3ccccc23)cc1 23154275 ZIMRXFYDPVDSJE-FQEVSTJZSA-N 443.507 4.286 5 20 IIBD O=C(c1ccccc1C(F)(F)F)N1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1 25571870 UJIYKRCVQTXAHV-UHFFFAOYSA-N 430.386 4.124 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(C(=O)c2ccc(C)cc2C)CC1 26644928 DLXZIZOEKOZZSZ-UHFFFAOYSA-N 439.512 4.144 5 20 IIBD Cc1cccc(COc2ccc(CNC(=O)C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)c1 62048478 XJEOLUZJWABAKW-UHFFFAOYSA-N 433.464 4.046 5 20 IIBD C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2F)cc1 63446920 BHYHYUJCGNRSEJ-GJZGRUSLSA-N 429.448 4.155 5 20 IIBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)[C@@H]1C[C@@H]1c1cccc(Br)c1 64386150 NUATXIGOBAHECW-ZIAGYGMSSA-N 433.258 4.261 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)Cc1ccc(Br)s1 64419471 DHQASEVNKVILGL-SECBINFHSA-N 433.711 4.498 5 20 IIBD CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 64917920 LYRKDNDIIWPLNR-CQSZACIVSA-N 438.509 4.177 5 20 IIBD O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 71880012 MKQSBOYGDGZITN-HNNXBMFYSA-N 426.231 4.284 5 20 IIBD CC(C)CCSc1ccc(C(=O)NCc2ccc(C(=O)N(C)C)cc2)cc1[N+](=O)[O-] 248059766 YVORKZZYAUSNOF-UHFFFAOYSA-N 429.542 4.365 5 20 IIBD CC(C)(C)NS(=O)(=O)c1ccccc1CNc1ccc([N+](=O)[O-])cc1Br 301368674 ONAFMZIFNIKOKY-UHFFFAOYSA-N 442.335 4.046 5 20 IIBD CCc1oc2ccccc2c1CN(C)C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O 302790823 FBGYWDDKKVMCLD-UHFFFAOYSA-N 446.463 4.030 5 20 IIBD O=C(N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1ccc(Cl)cc1[N+](=O)[O-] 303515288 PGBBKBDABAADQD-HNNXBMFYSA-N 426.275 4.435 5 20 IIBD CSc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2I)cc1 410247596 SPZOGQOFDLFDMD-JTQLQIEISA-N 442.278 4.412 5 20 IIBD C[C@H]1CN(CCC2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC2)C[C@@H](C)O1 427312674 JPKQNCDPPVTBHK-IYBDPMFKSA-N 431.558 4.161 5 20 IIBD COC(=O)c1cccc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1Br 427783372 VBRNTEJMBKYCAM-SNVBAGLBSA-N 439.287 4.263 5 20 IIBD CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 430097963 RHBMSMLFEZKRHX-UHFFFAOYSA-N 444.875 4.023 5 20 IIBD CCOc1ccccc1[C@H](CC)NC(=O)COc1c(Br)cccc1[N+](=O)[O-] 431229583 NTYVGBTXOJLOOF-HNNXBMFYSA-N 437.290 4.402 5 20 IIBD COc1cc(Br)c(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1OC 431399086 ZAIPTTNXRAKNND-UHFFFAOYSA-N 438.278 4.431 5 20 IIBD CCN([C@H](c1cccnc1)c1ccc(F)cc1F)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 431907808 UFUWFCMEIRXZMJ-OAQYLSRUSA-N 447.463 4.377 5 20 IIBD O=C(O)c1cc(C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)cc([N+](=O)[O-])c1 432118814 ZPIJPIMAZBCXEC-UHFFFAOYSA-N 427.800 4.173 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)c(Cl)c1Cl 434968579 TVXWRTDBEBHMGS-UHFFFAOYSA-N 443.268 4.101 5 20 IIBD Cc1c(NC(=O)N2CC[C@@H](n3ncc4ccccc43)C2)cc(Br)cc1[N+](=O)[O-] 435322316 BQGYFGLPFKZWMK-OAHLLOKOSA-N 444.289 4.494 5 20 IIBD C[C@H](CO)N(CC1CCC1)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 435851306 MSPKKDMACDCYDK-OAHLLOKOSA-N 431.920 4.483 5 20 IIBD Cc1c(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)nnn1-c1cccc([N+](=O)[O-])c1 437272445 WADJHBTYXNQFEO-WMLDXEAASA-N 432.267 4.077 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1ccnc(Oc2ccccc2)c1 438660956 OXVUQUPYUFJYCZ-UHFFFAOYSA-N 434.452 4.158 5 20 IIBD O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 440897727 BXFLLCADZOPWRT-SJORKVTESA-N 439.537 4.267 5 20 IIBD COc1cc(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 440914789 NXKPCXSKBYRYLN-XJKSGUPXSA-N 445.903 4.404 5 20 IIBD CCCN(C(=O)c1ccc(OC)c(I)c1)c1cccc([N+](=O)[O-])c1 441451774 OBFYMRYGMQEQCM-UHFFFAOYSA-N 440.237 4.265 5 20 IIBD CC(C)c1nc2ccccc2n1Cc1noc(-c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)n1 445650884 VATJZKXGKMGFFV-UHFFFAOYSA-N 429.440 4.352 5 20 IIBD COc1ccc(NC(=O)CN[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 445997386 XEHKOOGYYRWNFM-DLBZAZTESA-N 437.418 4.487 5 20 IIBD O=C(Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cn1)c1ccccc1 460287906 GZAXTZHLUQSEQV-UHFFFAOYSA-N 441.241 4.257 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nc(O)c(C)c(-c2ccccc2)n1 460432336 ZCLNOYQQQIZCCB-CYBMUJFWSA-N 440.481 4.194 5 20 IIBD COc1cc(CCNC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])cc1OC 460794367 NOYFARMMBKXWLE-JKSUJKDBSA-N 439.295 4.381 5 20 IIBD CCOC(=O)c1cc(C(=O)N[C@H](C)c2ccc(-n3nc(C)cc3C)cc2)cc([N+](=O)[O-])c1 461595362 SZOXLZUSSGVSDX-MRXNPFEDSA-N 436.468 4.065 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cc(Br)c(C)cc2OC)cc([N+](=O)[O-])c1 462568867 ZEOUOEMTDXVBPK-UHFFFAOYSA-N 437.246 4.103 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN([C@H](C)c2cccc(OC)c2)CC1 462983401 BVMSPKWFYSGXEJ-UYAOXDASSA-N 425.529 4.078 5 20 IIBD O=C(CCc1ccc(OC(F)(F)F)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464623091 BECWJWVFJALREY-UHFFFAOYSA-N 438.402 4.496 5 20 IIBD C[C@@H](C(=O)Nc1ccccc1OC(F)F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464770551 BWWOHZOLDZAPRI-AWEZNQCLSA-N 435.427 4.067 5 20 IIBD O=C(NCc1nnc2n1CCCC2)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 466759764 AFJXTFYWSDLOSV-UHFFFAOYSA-N 443.916 4.257 5 20 IIBD Cc1sc(S(=O)(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)cc1[N+](=O)[O-] 467059595 NEPGWWCRJARQTJ-ZDUSSCGKSA-N 426.907 4.020 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 467222895 MULQKOPSQOUKOS-CYBMUJFWSA-N 431.802 4.010 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)cc1 469191037 HYUVLGFULDKNRE-SFHVURJKSA-N 432.889 4.164 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1[N+](=O)[O-])c1ccccn1 469387174 XMEUKFJQZWCUAX-JLHGSKIFSA-N 434.500 4.083 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)NCc2noc(-c3cccc(Br)c3)n2)c1 477161424 FPDJKCDWWYTCSD-UHFFFAOYSA-N 449.286 4.059 5 20 IIBD CN1CC[C@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 477514434 RHDPAPWDUPSAKG-OPAMFIHVSA-N 448.926 4.389 5 20 IIBD Cc1ccc(C(=O)Nc2cccc(CNC(=O)NCc3cccc([N+](=O)[O-])c3C)c2)cc1 478932252 WNBJNQXDGNHBIR-UHFFFAOYSA-N 432.480 4.463 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)cc1SC 483727868 TYOBJDANSRPZTA-UHFFFAOYSA-N 436.902 4.171 5 20 IIBD COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1 485645218 SZBUYQCIFURYQW-INIZCTEOSA-N 449.257 4.041 5 20 IIBD CC[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1)c1cc(F)cc(Br)c1 485666470 FYJKATJJESJRCR-HNNXBMFYSA-N 441.253 4.151 5 20 IIBD Cn1nc(-c2ccc(Cl)s2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 486565965 XKUWJYQBSFMHJL-UHFFFAOYSA-N 449.901 4.059 5 20 IIBD O=C(Nc1ccnn1Cc1cccc2ccccc12)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 488657246 PJTPRMLYYZKERY-UHFFFAOYSA-N 445.483 4.058 5 20 IIBD C[C@H](CN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H](C)CO)c1ccccc1 489480003 OVEUAQZIYRBKHY-CVEARBPZSA-N 425.510 4.345 5 20 IIBD CS(=O)(=O)c1ccc(-c2nc(CN(Cc3cccc([N+](=O)[O-])c3)C3CC3)cs2)cc1 490159590 RUTRURWQWAOBJA-UHFFFAOYSA-N 443.550 4.286 5 20 IIBD COc1c(F)cc(S(=O)(=O)N[C@H](Cc2ccccc2)c2cccs2)cc1[N+](=O)[O-] 491606363 FCEHEXTULZEMFH-MRXNPFEDSA-N 436.486 4.066 5 20 IIBD Cc1ccc(NC(=O)CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c(Cl)c1 497050271 WCZGUTSTLAXXRE-UHFFFAOYSA-N 430.873 4.049 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1[C@@H]1NC(=O)CN1Cc1ccc(OCc2ccccc2)cc1 500383713 YUOSLDYTXXVCLF-RUZDIDTESA-N 447.491 4.203 5 20 IIBD CC[C@@H](c1nnc(SCc2cccc([N+](=O)[O-])c2)n1-c1ccc(OC)cc1)N(C)C 501711091 VLYNOUSNNZUYGZ-IBGZPJMESA-N 427.530 4.489 5 20 IIBD CC(C)CN1CCC(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 502627687 YXSUDLLCXGBSJO-KRWDZBQOSA-N 425.533 4.013 5 20 IIBD CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 504912291 TZMWGVFFFBLEMW-PXNSSMCTSA-N 429.542 4.373 5 20 IIBD Cc1ccc(C2=NN(C(=O)COc3c(Cl)cncc3[N+](=O)[O-])[C@@H](c3ccco3)C2)cc1 506536961 FFROVQVMHWQKFX-QGZVFWFLSA-N 440.843 4.301 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 510003836 FJUBFIDRSVHICO-LIRRHRJNSA-N 433.302 4.184 5 20 IIBD O=C(NCc1ccc(CN2CCCC2=O)cc1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 515990464 IISIFMMUQKENPF-UHFFFAOYSA-N 444.491 4.391 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 516033589 FGPYKAYQTFIZIU-UHFFFAOYSA-N 441.793 4.397 5 20 IIBD COc1cc(Cl)ccc1CNCc1cc(I)cc([N+](=O)[O-])c1 516606217 FNJZPTYNYOZVES-UHFFFAOYSA-N 432.645 4.151 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 517766849 HKIBPPHXBGCKPZ-HBFSDRIKSA-N 445.313 4.310 5 20 IIBD O=C(CCCOc1ccccc1Br)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 518816862 VYDWDXFEELDPSB-UHFFFAOYSA-N 445.273 4.341 5 20 IIBD Cc1cccn2cc(CNC(=O)c3ccc(N[C@H](C)c4ccccn4)c([N+](=O)[O-])c3)nc12 518880602 GDAALSGGSWQEEB-MRXNPFEDSA-N 430.468 4.049 5 20 IIBD Cc1c(NC(=O)c2ccccc2)cccc1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 521335987 QDQPTLKCMYMABA-QFIPXVFZSA-N 430.464 4.373 5 20 IIBD Cc1nc(-c2ccc(Br)cc2Cl)nn1CC(=O)c1ccc([N+](=O)[O-])cc1 521365778 HWEFPQVDSKHOLK-UHFFFAOYSA-N 435.665 4.461 5 20 IIBD CC1CCN(C[C@@H]2CCCN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)C2)CC1 522116803 MNKHJFIFGBXLIY-KRWDZBQOSA-N 428.558 4.302 5 20 IIBD COc1cc(C(=O)Nc2nnc(SCc3ccccc3)s2)cc([N+](=O)[O-])c1OC 525003961 MWNHPKWRSMEJRT-UHFFFAOYSA-N 432.483 4.008 5 20 IIBD O=C1C[C@@H](Cc2ccc(NCc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)cc2)C(=O)N1 532894886 ODODBWFWPPVGBK-QGZVFWFLSA-N 449.438 4.344 5 20 IIBD Cc1nc(-c2ccc(NC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])cc2Cl)n[nH]1 537211267 UCTNOKXUDONCFD-UHFFFAOYSA-N 436.255 4.403 5 20 IIBD Cc1cc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)ccc1Oc1cccnc1 537615128 SVAWWHZQZVELMP-UHFFFAOYSA-N 432.480 4.049 5 20 IIBD O=C(NCCNc1ncnc2ccc([N+](=O)[O-])cc12)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 537730662 LPSDWSDAXDNKGI-WOJBJXKFSA-N 427.464 4.023 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cc(F)cc2c1OCOC2 538588598 IZAYBEJHIGJGAF-UHFFFAOYSA-N 434.489 4.465 5 20 IIBD NC(=O)CN(Cc1ccccc1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 538730390 HBVHGETUYXPQOM-UHFFFAOYSA-N 444.285 4.105 5 20 IIBD C[C@H](CC(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc12)c1cccc(C(F)(F)F)c1 539403997 ORLNLCJCMLWUAN-CYBMUJFWSA-N 447.417 4.279 5 20 IIBD CC(C)Oc1c(F)cc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1F 541279806 VGGHNHMYPASLKL-UHFFFAOYSA-N 449.439 4.192 5 20 IIBD CS(=O)(=O)c1cc(C(=O)Nc2ccccc2NCC2CCCCC2)cc([N+](=O)[O-])c1 542061597 INPXUHYYPREAED-UHFFFAOYSA-N 431.514 4.243 5 20 IIBD O=[N+]([O-])c1ccccc1Cc1noc(-c2cccc(OCc3cn4ccccc4n3)c2)n1 544910746 DJBIWLQYGPOWSM-UHFFFAOYSA-N 427.420 4.462 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1scc(C)c1I 545958786 BEJCPZLZBNCYDR-UHFFFAOYSA-N 432.239 4.220 5 20 IIBD Cc1cc(=O)c(-c2nc(Cc3cccc4ccccc34)no2)nn1-c1ccccc1[N+](=O)[O-] 546314707 IGZSWPGSALMGBY-UHFFFAOYSA-N 439.431 4.243 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 558797738 BEBPWPOXMKGNQA-INIZCTEOSA-N 433.892 4.370 5 20 IIBD Cc1c(C(=O)N(CCn2ccnc2)Cc2ccccc2Br)cccc1[N+](=O)[O-] 559262563 AWAHKRISUOVWIS-UHFFFAOYSA-N 443.301 4.205 5 20 IIBD C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1nccn1-c1ccccc1 561550233 VUJFYPCVJGNGOI-NSHDSACASA-N 441.296 4.127 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccccc1OCC(F)(F)F 561750162 SFWQVIWNTGBYQY-UHFFFAOYSA-N 432.782 4.275 5 20 IIBD C[C@@H](NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1ccc(Br)cc1F 564259867 AMBXLZJGFKEAGD-SECBINFHSA-N 434.221 4.241 5 20 IIBD CC(C)NC(=O)c1ccc(N[C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)c([N+](=O)[O-])c1 567282503 UIDZZOMGGISDJU-QRWLVFNGSA-N 442.491 4.036 5 20 IIBD COc1cccc(C2(c3noc([C@@H]4CCCN4C(=O)c4ccc([N+](=O)[O-])c(C)c4)n3)CC2)c1 572165860 QOVFZMCDOABERM-FQEVSTJZSA-N 448.479 4.352 5 20 IIBD C/C(=C\c1ccccc1OC(F)F)CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 573531744 BAGDWFHHXPNIKP-WYMLVPIESA-N 437.468 4.119 5 20 IIBD CCc1ccc([C@@H]2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)C2)cc1 575773191 YGIFEVVJZLNESM-GGAORHGYSA-N 435.524 4.086 5 20 IIBD O=C(c1ccccc1OC(F)F)N1CCC[C@H]1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 581908910 AZABKAVNQFXPCB-HNNXBMFYSA-N 430.367 4.224 5 20 IIBD CC1(C)C[C@H](NCc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)c2cc([N+](=O)[O-])ccc21 585765425 BUNFHHKMENBYDF-SQJMNOBHSA-N 448.523 4.332 5 20 IIBD C[C@@H](c1ccccc1)N1C[C@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)CC1=O 603742003 KFTPTJZSCSOTOL-MAUKXSAKSA-N 449.429 4.095 5 20 IIBD COc1ccc(CN(Cc2ccccc2)C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1 604456676 XMMSIWWSJUERIX-UHFFFAOYSA-N 436.464 4.220 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CC3(CCC3)c3c(F)cccc32)ccc1[N+](=O)[O-] 608807575 HACBXQFHYYTNKK-HXUWFJFHSA-N 437.471 4.115 5 20 IIBD C[C@@H](c1cccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1)N1CCOCC1 609183281 QYOCDSZMYDNZES-HNNXBMFYSA-N 438.509 4.364 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccccc1CS(=O)(=O)c1ccccc1 609375804 IVANMSRJXMGAQN-UHFFFAOYSA-N 449.488 4.162 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NCCc2ccc(C)nc2)c([N+](=O)[O-])c1 609517172 WCALPTCWURFTAQ-UHFFFAOYSA-N 440.525 4.168 5 20 IIBD CCCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)[C@@H](c1ccc(F)cc1)c1cccnc1 609522744 KCXQYNBNYBKWDE-QHCPKHFHSA-N 439.491 4.361 5 20 IIBD CC[C@@H](c1ccccc1)c1nnc(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)s1 609550427 XIKKLLGRMIIVMB-AWEZNQCLSA-N 435.465 4.494 5 20 IIBD O=C(N[C@H]1CCCN(c2cccc(F)c2)C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 609699034 RKYRZJXJULTRBV-AWEZNQCLSA-N 441.381 4.074 5 20 IIBD COc1ccc(CN(C)C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1OC(F)F 609722861 BTEHLDIKOFDVGB-UHFFFAOYSA-N 444.818 4.286 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@@H](Cn3cccn3)c3ccccc3)cc2[N+](=O)[O-])CC1 610155093 VAWWMPZAOFFFAT-NRFANRHFSA-N 433.512 4.199 5 20 IIBD Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])o1 725936342 XSALGIBFRYBEMG-UHFFFAOYSA-N 442.334 4.243 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)[C@H](C)c2c(Cl)cccc2Cl)cc([N+](=O)[O-])c1C 726316652 SHYWUWOEBOMXRR-LLVKDONJSA-N 431.297 4.127 5 20 IIBD C[C@@H](NC(=S)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccc(Cl)cc1Cl 726457141 POFZZPUMUMCEFJ-GFCCVEGCSA-N 440.356 4.054 5 20 IIBD C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 727205837 OIJWWOIFPLZWNP-SNVBAGLBSA-N 446.765 4.216 5 20 IIBD O=C(NC[C@@H](O)c1ccccc1C(F)(F)F)Nc1cc([N+](=O)[O-])ccc1OC(F)F 728737818 SPLMGUDYAJHTCM-CYBMUJFWSA-N 435.305 4.070 5 20 IIBD Cc1ccc(C(=O)N[C@H](CC(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 729874750 ZWPMMORIGKSPJU-JOCHJYFZSA-N 446.459 4.191 5 20 IIBD Cc1c(C(=O)OCc2ncc(-c3cccc(Cl)c3)o2)nnn1-c1cccc([N+](=O)[O-])c1 731462391 LKFULYXTKNHVFH-UHFFFAOYSA-N 439.815 4.149 5 20 IIBD O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 731578190 BWYMFHQZBZBEHP-UHFFFAOYSA-N 442.357 4.237 5 20 IIBD CC(C)(C)C(=O)Nc1ccccc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 733501957 OXTPLFFCVHYALI-UHFFFAOYSA-N 433.848 4.028 5 20 IIBD CC(C)(C)OC(=O)N1CCc2c(cccc2NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])C1 734110305 OOVRBXCCFXUKPD-UHFFFAOYSA-N 433.411 4.419 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](NCCOC1CCC1)c1ccccc1 743485491 KRIJLWMMKBGFQS-IBGZPJMESA-N 448.317 4.196 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])OCc1ncc(-c2cccc(Br)c2)o1 744477741 QJFRNXNRHSYCGI-UHFFFAOYSA-N 433.214 4.135 5 20 IIBD C[C@@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 745072231 QKJHNNRTJQGPGK-LLVKDONJSA-N 435.820 4.004 5 20 IIBD CCc1ccc2c(COC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)cc(=O)oc2c1 748948179 AVMQXDIODFHNLM-UHFFFAOYSA-N 426.381 4.146 5 20 IIBD COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 749660424 AMYDXQGDYDSDSS-WIOPSUGQSA-N 434.492 4.293 5 20 IIBD CCC(C)(C)OCc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C 749875361 INDVFGKZCABNBQ-UHFFFAOYSA-N 437.474 4.317 5 20 IIBD O=C(NC1CCC(N2CCCCC2)CC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 750858872 DDISQPXJAWTPAC-UHFFFAOYSA-N 429.439 4.063 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)cc1[N+](=O)[O-] 752196083 RPCZTZFIXHOBPU-UHFFFAOYSA-N 443.872 4.067 5 20 IIBD O=[N+]([O-])c1cn(CN(Cc2csc(Br)c2)C2CC2)nc1-c1ccncc1 752799335 GVPHFPWZTMGOOW-UHFFFAOYSA-N 434.319 4.299 5 20 IIBD CO[C@H](C)c1nc(CN2CCCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cs1 753118680 LEVVUCWCHUKCLJ-CYBMUJFWSA-N 444.479 4.490 5 20 IIBD C[C@H](OC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccc(OC(F)F)cc1 755067466 RDVMXNOQFQZNJO-MNOVXSKESA-N 426.347 4.009 5 20 IIBD CC[C@H]1CN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC[C@@H]1NC(=O)OC(C)(C)C 757044503 YYEZPHCNHTYLBG-GUYCJALGSA-N 440.928 4.083 5 20 IIBD COc1ccccc1[C@H](OC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccccn1 759603700 KIUNWJQFELHCRA-QFIPXVFZSA-N 430.420 4.131 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Br)N1CCOc2ccc(C(F)(F)F)cc21 760917254 SLXASYVXFNDDFV-UHFFFAOYSA-N 431.164 4.415 5 20 IIBD C[C@H](C(=O)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 762318199 WZKYVAOYKQHEEF-MBSDFSHPSA-N 432.476 4.342 5 20 IIBD COc1ccccc1N(CCCCCCO)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 762459953 YUBWPSKUKQLOMD-UHFFFAOYSA-N 442.921 4.005 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccc(N2CCCCC2)cc1 763859054 HYNQEKCERWXPPL-UHFFFAOYSA-N 443.569 4.296 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-n2nccn2)cc1C(F)(F)F 764997973 MNXCDWGJZYYRML-AWEZNQCLSA-N 433.390 4.402 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)CCCc1ccccc1Br 767684942 ZGPLOBUPERZFBO-UHFFFAOYSA-N 435.274 4.170 5 20 IIBD CCCN(C(=O)c1ccccc1NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1)C(C)C 768286087 VWLSZYJEDFAENO-UHFFFAOYSA-N 437.493 4.104 5 20 IIBD COc1cc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2O)ccc1OCc1c(C)noc1C 770855832 GJXSBDUWONVHHM-WEVVVXLNSA-N 439.424 4.145 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H](C)[C@@H](O)c2ccc(F)cc2)cc1 771685031 JQZVNECKQQMCDX-RCDICMHDSA-N 440.427 4.387 5 20 IIBD Cc1ccccc1C[C@@H](C)N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br 774007914 HWOFCOZLFATAKW-CQSZACIVSA-N 448.317 4.002 5 20 IIBD COC[C@H](OC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1nccs1 774683619 UVVKQHBWBZXNNJ-ZDUSSCGKSA-N 443.268 4.088 5 20 IIBD Cc1ccccc1-c1nc(C)c(C(=O)OCC(=O)Nc2c(C)cccc2[N+](=O)[O-])s1 775105702 CJKUKRLWSVEWEJ-UHFFFAOYSA-N 425.466 4.439 5 20 IIBD CCC(CC)n1nc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1C 776430010 CLCJKPGFBLJFEW-UHFFFAOYSA-N 442.394 4.275 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 777994027 CUKVYUANONIFRG-UHFFFAOYSA-N 435.452 4.231 5 20 IIBD COc1ccc2ccccc2c1-c1cc(COC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)on1 778112257 AXGRNCYKIWZURN-UHFFFAOYSA-N 436.424 4.087 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCc1cccc(NC(=O)c2ccccc2)c1 781615085 RABLXJAZUVATIY-UHFFFAOYSA-N 448.435 4.004 5 20 IIBD C[C@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(OC(F)(F)F)c1 781700917 XXQLYRUWWYXUKQ-NSHDSACASA-N 427.335 4.212 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 783835662 NXFPFNNUXFKNRY-UHFFFAOYSA-N 439.833 4.049 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3cn(C(C)(C)C)nc3C)CC2)ccc1[N+](=O)[O-] 784883519 MEHZIMLZSRMJKB-UHFFFAOYSA-N 430.505 4.079 5 20 IIBD CCO[C@@H]1C[C@@H](OC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C12CCOCC2 786493177 JAOXJSQKKYVUKV-FGZHOGPDSA-N 441.480 4.305 5 20 IIBD CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 787602487 DIGTUYIHYIMAKK-HNNXBMFYSA-N 433.427 4.169 5 20 IIBD CCN(C(=O)c1cc([N+](=O)[O-])ccc1I)c1ccc2[nH]ccc2c1 788552285 ZXKNYAUBSBWHLM-UHFFFAOYSA-N 435.221 4.347 5 20 IIBD C[C@H](N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 788799389 DPNPYOILLDEGGX-VFZGTOFNSA-N 448.239 4.343 5 20 IIBD Cc1ccc(/C(O)=C(/C(=S)NCCc2ccc(F)cc2)[n+]2ccccc2)cc1[N+](=O)[O-] 789424475 QXEHPZUVAAFFPC-UHFFFAOYSA-O 438.504 4.373 5 20 IIBD CCCOc1cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c([N+](=O)[O-])cc1OCCC 790521730 SONGKKNKESWANE-UHFFFAOYSA-N 447.400 4.062 5 20 IIBD Cc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1NC(=O)c1ccccc1 791704069 RLUOXMMMARPRDV-UHFFFAOYSA-N 435.392 4.421 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)OCc2ccc(OCC3CC3)cc2)cc1[N+](=O)[O-] 791987122 IECAFZPKYWCFEX-UHFFFAOYSA-N 440.481 4.020 5 20 IIBD Cc1nc2c(cnn2C(C)C)cc1C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 792703684 WSWSMDDDJQVFHY-ZDUSSCGKSA-N 436.428 4.197 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccc(Br)cn1 794165483 UCDOFSBWXPCUEY-CYBMUJFWSA-N 433.306 4.234 5 20 IIBD CC(C)(C)OC(=O)NCc1ccc(OS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 796037372 ISEVXNQYPBSMAG-UHFFFAOYSA-N 442.877 4.041 5 20 IIBD C[C@@H](Cn1ccc2ccccc21)C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 797002832 YLBYIDAFUPMDSW-HKUYNNGSSA-N 435.480 4.034 5 20 IIBD C[C@@H](c1ccc(Cl)cc1Cl)S(=O)(=O)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] 797032682 NOINBUXSWUSNFA-NSHDSACASA-N 445.324 4.386 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccccc1)C[C@H](O)c1ccco1 799236264 NSRZOODDYKDRFM-IBGZPJMESA-N 425.441 4.354 5 20 IIBD COC(=O)N1CCC([C@H](C)NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 799370471 NDYJSZLBIFIBAH-HNNXBMFYSA-N 443.525 4.343 5 20 IIBD CCn1ncnc1COC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 801214812 UVHSEKYTIIHSBR-WJDWOHSUSA-N 449.492 4.490 5 20 IIBD CC1(c2cccc(Br)c2)CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 801936700 XNUGGLJIFINGEZ-UHFFFAOYSA-N 436.281 4.273 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)OCC(=O)N[C@H](c2ccccc2)c2cccs2)c1F 803461986 CSOAEQMFUPDUEM-HXUWFJFHSA-N 428.441 4.166 5 20 IIBD Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] 804176744 TTZNBYJQYVVZAN-UHFFFAOYSA-N 430.867 4.255 5 20 IIBD COc1cc(C(=O)OCc2cc(C)cc(Cl)n2)c([N+](=O)[O-])cc1OCc1cscn1 805965739 JYOWRRLBRQAKPV-UHFFFAOYSA-N 449.872 4.353 5 20 IIBD Cc1nc(Cl)c(Cl)cc1C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 808067975 HGBOMOKJANQUNE-OAHLLOKOSA-N 440.283 4.418 5 20 IIBD CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)CNc3ccccc3[N+](=O)[O-])cccc21 808243526 BRICOCDXNSEFKT-UHFFFAOYSA-N 440.500 4.011 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2c(F)cc(C(F)(F)F)cc2F)c([N+](=O)[O-])c1 811417804 GHZLMIWTEGDUIG-MRVPVSSYSA-N 448.300 4.084 5 20 IIBD Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 812989815 QAULIWWNDQVEPM-HNNXBMFYSA-N 440.308 4.364 5 20 IIBD Cc1nc2ccccc2c2c(NC(=O)c3ccc(C(N)=O)c(Cl)n3)c3ccccc3n12 813393378 PNVMHNMOIXOGPL-UHFFFAOYSA-N 429.867 4.349 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 820002616 SSJIOAABQKKTMV-UHFFFAOYSA-N 441.465 4.047 5 20 IIBD CCC(CC)[C@@H](CNc1cc([N+](=O)[O-])c(OC)c(Br)c1[N+](=O)[O-])N(C)C 884002451 HMPZXOSDYCRROC-CYBMUJFWSA-N 433.303 4.052 5 20 IIBD O=C(/C=C\c1ccccc1OC(F)(F)F)OCc1cc([N+](=O)[O-])cc2c1OCOC2 914806310 ALBXJINEECDTPR-WAYWQWQTSA-N 425.315 4.117 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1cc(Cl)c(Cl)n1C 915135732 UDNGESIGZZPFLH-UHFFFAOYSA-N 438.271 4.341 5 20 IIBD O=[N+]([O-])c1ccc(-c2ncn(CN3CCC[C@H]3c3ccc(Br)cc3)n2)cc1 917487970 XUOCMPFCMBOXIC-SFHVURJKSA-N 428.290 4.410 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] 918672344 IFBKPOZHCFLNQL-UWVGGRQHSA-N 429.273 4.014 5 20 IIBD COc1ccc([C@H]2CCCCCN2C(=O)COC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 918845250 YUYBXJUXCQCLMU-HXUWFJFHSA-N 426.469 4.213 5 20 IIBD Cc1cc(C(=O)OCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)cc([N+](=O)[O-])c1 920899227 BDGKLJCFCPVZOE-KRWDZBQOSA-N 439.449 4.092 5 20 IIBD Cc1ccc(/C=C2\SC(=O)N(CCNC(=O)c3cc([N+](=O)[O-])ccc3Cl)C2=O)cc1 929086599 OVQCXRMJCTWSQW-YVLHZVERSA-N 445.884 4.023 5 20 IIBD COCCOc1c(Cl)cc(NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc1Cl 1116463147 WXSIGOUNFPOGPW-UHFFFAOYSA-N 426.256 4.475 5 20 IIBD CC(C)c1ccc(-c2noc(CCC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)n2)cc1 1264106749 QCKBOZMLQDHNFH-UHFFFAOYSA-N 449.511 4.050 5 20 IIBD CN(Cc1ccc(C(N)=O)cc1)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 1317808121 ZEDUNXWFEPADOE-UHFFFAOYSA-N 439.855 4.412 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1318005957 NUPJMPUBCAMEPW-ZIAGYGMSSA-N 428.876 4.298 5 20 IIBD Cc1ccc2nc(COc3ccccc3C(=O)N3Cc4ccc([N+](=O)[O-])cc4C3)cn2c1 1318867182 WFHSSWQPJJVTJG-UHFFFAOYSA-N 428.448 4.286 5 20 IIBD Cc1sc2ncnc(SCc3nnc(COc4ccccc4[N+](=O)[O-])o3)c2c1C 1322204597 DQHCDHKTEQSQCO-UHFFFAOYSA-N 429.483 4.471 5 20 IIBD CC(C)[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(O)c([N+](=O)[O-])c2)C3)CC1 1801817501 QJHOWWPRRSUWKZ-FWIIZBITSA-N 443.544 4.015 5 20 IIBD CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccc([N+](=O)[O-])o3)CC2)CCCC1 1824276487 SLLJOGGSXIKKHO-FHVRUZERSA-N 443.544 4.401 5 20 IIBD O=C(COC(=O)CCc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 12950547 KYJYVHUBSMPWQE-UHFFFAOYSA-N 430.766 4.382 5 20 IIBD CSc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1[N+](=O)[O-] 15738657 ZTRIWHAWTQCUQP-UHFFFAOYSA-N 449.554 4.052 5 20 IIBD Cc1cccc2c(=O)[nH]c(COC(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)nc12 16679168 AUGMGOABTXNTOV-UHFFFAOYSA-N 430.420 4.240 5 20 IIBD CSc1ccc(C(=O)O[C@@H](C)C(=O)Nc2c(C(C)=O)oc3ccccc23)cc1[N+](=O)[O-] 22160992 SUTOZHYQZKNGAM-LBPRGKRZSA-N 442.449 4.450 5 20 IIBD CC(C)NC(=O)c1ccc(N[C@H]2CCCc3c2cnn3Cc2ccccc2)c([N+](=O)[O-])c1 25578506 MSBRASZKWHMTLB-FQEVSTJZSA-N 433.512 4.467 5 20 IIBD COc1cc(C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)c([N+](=O)[O-])cc1OC(F)F 25758327 YHBXHWZHIZBKAY-UHFFFAOYSA-N 437.399 4.442 5 20 IIBD CC(=O)c1c(C)cc(C)c(COC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c1C 27989589 GZBSBSZVEZKOGY-UHFFFAOYSA-N 440.452 4.154 5 20 IIBD C[C@H](OC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C(=O)N(C)c1ccccc1 28854480 GCKHKVUPNCMJNU-KRWDZBQOSA-N 433.464 4.415 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cc3ccccc3c3cccnc23)cc1 46901610 SBTXWILNUIDZEB-UHFFFAOYSA-N 447.560 4.349 5 20 IIBD CN(CCCCCc1cc(-c2cccc(F)c2)no1)c1ccc(C(N)=O)cc1[N+](=O)[O-] 63740055 OVXOWOBJYUKNCL-UHFFFAOYSA-N 426.448 4.337 5 20 IIBD O=C(CCCNC(=O)c1ccc(F)cc1F)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 105600383 IHDYKTZRGDTZNN-UHFFFAOYSA-N 446.435 4.145 5 20 IIBD COc1ccc(NC(=O)CN2CCC[C@@H]2c2cccc(Br)c2)c([N+](=O)[O-])c1 108138286 NGIKFCHNDMMZKF-QGZVFWFLSA-N 434.290 4.142 5 20 IIBD CC(C)c1nccn1Cc1cccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c1 109291297 ONGXYQWCRHQWMS-UHFFFAOYSA-N 430.468 4.401 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(C)c(C(F)(F)F)c2)ccc1[N+](=O)[O-] 110323158 UCBDXBXNQGDFFC-SFHVURJKSA-N 435.402 4.474 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N[C@@H]1CCO[C@@H](c2ccccc2)C1 302149643 AVLYNSGSULBGEA-XMSQKQJNSA-N 445.541 4.102 5 20 IIBD C[C@@H]1C[C@@H](N(C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCN1Cc1ccccc1 303752512 MDTMSYLKSOCRNG-APWZRJJASA-N 430.936 4.172 5 20 IIBD O=[N+]([O-])c1cc(Br)cnc1N1CCC2(CCN(Cc3ccccc3)CC2)C1 312963799 JSFBMQFPZIJRSU-UHFFFAOYSA-N 431.334 4.245 5 20 IIBD COc1ccc(S(=O)(=O)Nc2nc3c(s2)C[C@H](c2ccccc2)CC3)cc1[N+](=O)[O-] 409575296 QCOMLQBZVLGGGM-CQSZACIVSA-N 445.522 4.133 5 20 IIBD CCOc1cc(NC(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)c([N+](=O)[O-])cc1OCC 409657975 DODNANYMZQAXAK-YCRPNKLZSA-N 429.473 4.386 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2-c2ncc3n2CCCC3)c2ncccc12 430366561 JDZBPEXAIKNHLU-UHFFFAOYSA-N 449.492 4.144 5 20 IIBD CCN([C@H](c1cccnc1)c1ccc(F)c(F)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 431918771 LRKNNYIGVHMFDB-NRFANRHFSA-N 447.463 4.377 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCCN(Cc2ccccc2)CC1 435950879 TXFZGIMCFYTCFI-UHFFFAOYSA-N 447.485 4.308 5 20 IIBD Cc1ccc(NC(=O)CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c(Cl)c1 436222249 CIEIQXLMNFHQKJ-UHFFFAOYSA-N 437.858 4.151 5 20 IIBD Cc1ccc(-c2ccncc2)cc1NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 437070765 VRCPXJZGNHZECR-UHFFFAOYSA-N 430.464 4.095 5 20 IIBD CCCCCn1nc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c2ccccc2c1=O 437093029 MYYXOOJKYNCFDF-UHFFFAOYSA-N 434.496 4.300 5 20 IIBD COc1ccc(C2(CNC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CCOCC2)cc1 437214682 IGYGOHUIOJHOEQ-UHFFFAOYSA-N 438.402 4.100 5 20 IIBD CC[C@@H](NC(=O)Nc1ccc(N2CCOC(C)(C)C2)cc1OC)c1cccc([N+](=O)[O-])c1 437894047 IHOCFJPXZHYXFA-LJQANCHMSA-N 442.516 4.491 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N(Cc2cccs2)C2CC2)cc1[N+](=O)[O-] 439242650 BWCXDIJOLRZPLG-UHFFFAOYSA-N 431.333 4.081 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)Nc1cccc(OCC(F)(F)F)c1C 439552726 VXKMPUQKCJOVFY-UHFFFAOYSA-N 425.363 4.038 5 20 IIBD CCN(C(=O)c1cc(OC)c(OCCOC)cc1[N+](=O)[O-])c1ccc(Cl)c(F)c1 441420754 NCVFLPKHBUCYPB-UHFFFAOYSA-N 426.828 4.088 5 20 IIBD O=C(Nc1c(F)cc(Br)cc1F)C1CCN(c2ccccc2[N+](=O)[O-])CC1 443888654 ZYTBUVOADXILJD-UHFFFAOYSA-N 440.244 4.491 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 444090858 SRCBPTKZKAQHDY-LLVKDONJSA-N 431.802 4.079 5 20 IIBD O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)c1sc(Br)cc1[N+](=O)[O-] 445177086 WIZZSTGKXVRKCA-IUODEOHRSA-N 425.304 4.317 5 20 IIBD O=C(Cc1noc(-c2cc(Cl)cc([N+](=O)[O-])c2)n1)Nc1ccccc1Br 445469959 IOCLBWOMFFTPEN-UHFFFAOYSA-N 437.637 4.242 5 20 IIBD O=C(Cc1noc([C@H]2C[C@H]2c2cccc(Cl)c2Cl)n1)NCc1ccc([N+](=O)[O-])cc1 445731660 IQJOZKKGCOJBBD-GJZGRUSLSA-N 447.278 4.415 5 20 IIBD Cc1nc(C)c([C@@H](C)N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCCO2)s1 461123786 FQHHQQCPQIKROA-KDOFPFPSSA-N 442.545 4.303 5 20 IIBD CC(C)OCc1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)no1 461382567 OBKOVWKFYYAHIC-OAHLLOKOSA-N 439.472 4.006 5 20 IIBD C[C@@H]1[C@@H](c2ccccc2)CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 461589162 VUQGXURPHFYGHU-FGSXEWAUSA-N 433.512 4.272 5 20 IIBD Cc1cc(NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)c(C(F)(F)F)cc1[N+](=O)[O-] 461785191 NWAOEIFHOKGTQI-MRXNPFEDSA-N 437.418 4.443 5 20 IIBD COc1cccc([C@H]2CCCN2S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 462467285 ZKLPHTZGCYCKKL-OAHLLOKOSA-N 431.297 4.436 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 462923179 DCDUCSYKQJILQV-DLBZAZTESA-N 444.919 4.089 5 20 IIBD CC[C@H](C)N(C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)c1ccc(C(N)=O)cc1 463616795 UAGJCKIHCVDWMQ-SJORKVTESA-N 438.528 4.375 5 20 IIBD COc1cc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c([N+](=O)[O-])cc1OC(F)F 463920109 OAJBANIOJPRYPA-UHFFFAOYSA-N 439.802 4.312 5 20 IIBD COc1cc(CNc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c([N+](=O)[O-])cc1F 464092811 CDWWLNPGUCWZKA-UHFFFAOYSA-N 445.472 4.180 5 20 IIBD O=C([C@H]1C[C@@H]1c1ccccc1OC(F)F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464644990 UPXGWRQVEDVRDR-MOPGFXCFSA-N 432.423 4.370 5 20 IIBD Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)c(OC[C@H]2CCCO2)c1 466647066 MLTUSPLUNGLKLD-MRXNPFEDSA-N 449.301 4.154 5 20 IIBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H](c1cccc(F)c1)c1cccc(Cl)c1 469033741 OLFDSXVOTYISTQ-NRFANRHFSA-N 441.846 4.023 5 20 IIBD C[C@@H](NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1ccc(OCC2CC2)c(F)c1 469440288 GZIJSWKVDXVUNV-GFCCVEGCSA-N 425.416 4.268 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 469598349 GLMIAAHBLLEPCC-CYBMUJFWSA-N 430.534 4.373 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CCCc4c(F)ccc(F)c43)cc2)c(C)c1[N+](=O)[O-] 472556130 MXAYQWQZLOUCNI-UHFFFAOYSA-N 426.423 4.328 5 20 IIBD O=C(NCC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(Oc2ccccc2)cc1 474492200 GTENXODCUDWHJU-UHFFFAOYSA-N 445.475 4.308 5 20 IIBD CC1CCN(C(=O)C2CCN(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)CC1 475220465 OXVPJBCJUXYWJL-UHFFFAOYSA-N 442.438 4.116 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 475550535 OEOUCAATDSNBLE-QGZVFWFLSA-N 436.468 4.384 5 20 IIBD Cn1cc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c(-c2ccc(Cl)s2)n1 475814960 QYDJIDAMFGGDBW-UHFFFAOYSA-N 425.297 4.336 5 20 IIBD COC(=O)c1ccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(OC(F)F)c1 476904707 GHLZNEYWAHBFFW-UHFFFAOYSA-N 437.399 4.425 5 20 IIBD CC(=O)N1CCC[C@H](CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 477317881 GMSJYZYIPYLILX-OAHLLOKOSA-N 431.876 4.029 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC(C)(c2cccc(Cl)c2)CC1 478439014 OFDYIAATPOZTTI-QGZVFWFLSA-N 433.940 4.061 5 20 IIBD COc1ccc(-c2nc(Cc3noc(-c4ccn(-c5ccccc5[N+](=O)[O-])n4)n3)co2)cc1 478725340 QJLSSQVSKKAGAO-UHFFFAOYSA-N 444.407 4.085 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnn(-c2ccc(C)cc2)c1C(C)C 480210361 QESHJLVTKCVHNW-UHFFFAOYSA-N 430.486 4.022 5 20 IIBD COC(=O)c1csc(-c2cccc(CNC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)c2)n1 481904384 JVVMTRMQVKSWQX-UHFFFAOYSA-N 439.493 4.360 5 20 IIBD COc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1Br 485043305 FKHPKNYRJKFMBG-VIFPVBQESA-N 445.216 4.458 5 20 IIBD C[C@@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 486445107 LGILZEYJDMCIMS-MKTHODDLSA-N 438.505 4.402 5 20 IIBD COc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)c2ccccc2)cc1Br 487352395 IRYXTDRHXAKSOM-GOSISDBHSA-N 430.258 4.213 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)cc1[N+](=O)[O-] 488068356 MEAAQFIYVZWCTF-QGZVFWFLSA-N 438.505 4.368 5 20 IIBD COc1ccc(NC(=O)CNc2cc(Cl)ccc2OC[C@H]2CCCCO2)c([N+](=O)[O-])c1 488140276 PAYUDHWYQRGMRQ-MRXNPFEDSA-N 449.891 4.255 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(OC)c(Cl)cc1OC 488423935 ZGFVKYKVKHCRQI-UHFFFAOYSA-N 426.878 4.256 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2CCC[C@H](OCC3CC3)C2)c([N+](=O)[O-])c1 489944810 LHNUQVCDNJJSHU-SFHVURJKSA-N 438.480 4.008 5 20 IIBD CS(=O)(=O)c1cccc([C@H](NCCc2ccccc2[N+](=O)[O-])c2ccc(F)cc2F)c1 493276782 MUYIBROQVIQGQI-QFIPXVFZSA-N 446.475 4.198 5 20 IIBD COc1cc(CNc2cc(C)n(-c3cccc(F)c3)n2)c([N+](=O)[O-])cc1OCC(F)F 494063200 BEOSCGUKNCDIPQ-UHFFFAOYSA-N 436.390 4.493 5 20 IIBD CCOc1ccc([C@H](Nc2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])c2ccccc2)cc1 498841456 WUFSALAHMYKEGX-JOCHJYFZSA-N 441.509 4.103 5 20 IIBD CC[C@H]1CCCCN1CCNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 499659218 NKGOBJGAVXXIQC-HKUYNNGSSA-N 425.533 4.157 5 20 IIBD CC(C)N(Cc1ccc(-c2ccccc2F)s1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O 499798615 KDAMRJCLPLPREI-UHFFFAOYSA-N 429.473 4.061 5 20 IIBD O=C(Nc1cc(CC2CC2)nn1-c1ccccc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 502199989 UONBPFGWZYLWJR-UHFFFAOYSA-N 428.452 4.171 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C)c(N2CCCS2(=O)=O)c1 503430559 SCQUOPZKFNQHQL-UHFFFAOYSA-N 449.554 4.198 5 20 IIBD COc1cc(CCNC(=O)NC2(c3cccc(C)c3)CCCC2)c([N+](=O)[O-])cc1OC 503447351 QDJRNNDFPWMYRB-UHFFFAOYSA-N 427.501 4.232 5 20 IIBD COc1cccc(NC(=O)COc2ccc(-c3nc(-c4cccc([N+](=O)[O-])c4)no3)cc2)c1 505037539 DFWZYMCDFYEMRS-UHFFFAOYSA-N 446.419 4.338 5 20 IIBD CCOc1ccc(NC(=O)CN[C@@H](c2c(F)cccc2F)C(F)(F)F)c([N+](=O)[O-])c1 506300408 RPZFYFHUJQRMPB-KRWDZBQOSA-N 433.333 4.103 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(Sc3nnc(-c4cccc(Br)c4)o3)cc2N1 506800821 UYMARHVMSQLSHR-UHFFFAOYSA-N 447.270 4.443 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N1CCC[C@@H]1c1ccc(F)cc1 509513269 HCQZLXVFVKWZAO-MRXNPFEDSA-N 440.212 4.316 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCc3ccc(N4CCCC4)nc3)cc2[N+](=O)[O-])C1 515498467 JSPYWUJGHRXGCI-ROUUACIJSA-N 437.544 4.002 5 20 IIBD CCOC(=O)c1cc(C(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cc2)cc([N+](=O)[O-])c1 516327986 PQUWDKKFSZPKAL-GFCCVEGCSA-N 440.374 4.204 5 20 IIBD Cc1sc(NC(=O)CCn2cc([N+](=O)[O-])cn2)nc1-c1ccc(Br)cc1 516776539 BUOBLPSFZPAGOY-UHFFFAOYSA-N 436.291 4.015 5 20 IIBD CNc1ccc(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1[N+](=O)[O-] 517618627 CGMZIWQJNYALEG-UHFFFAOYSA-N 437.418 4.134 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)Cc1coc(-c2cccs2)n1)c1ccccc1[N+](=O)[O-] 518494242 GTXQNACXSCHZAA-MRXNPFEDSA-N 443.481 4.053 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1C 520037619 NLHNQIRZAGUPCJ-UHFFFAOYSA-N 445.541 4.329 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(Cc1cc(Br)ccc1F)C1CC1 520156387 HEQVSBYFQQFILJ-UHFFFAOYSA-N 443.294 4.158 5 20 IIBD O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 522879126 PTHJQYQLMWWWAR-UHFFFAOYSA-N 442.686 4.153 5 20 IIBD COC(=O)c1cc(NC(=O)CSCc2ccc(Br)cc2)cc([N+](=O)[O-])c1 522919394 VRCAIJSXTGZHNY-UHFFFAOYSA-N 439.287 4.016 5 20 IIBD CC[C@H]1c2ccsc2CCN1C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 523272713 BJHOKBZPLIPQJW-PKOBYXMFSA-N 427.526 4.105 5 20 IIBD COc1ccc(-c2cc(C(=O)N3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)sc2C)cc1 524578301 LJFRDHYLAMLXHR-INIZCTEOSA-N 438.509 4.362 5 20 IIBD C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 531562520 XCBXBBGDSDPTDP-LBPRGKRZSA-N 449.298 4.230 5 20 IIBD CCOc1ccccc1N(C)C(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] 533687114 LIBAXDZESVZPMO-UHFFFAOYSA-N 443.481 4.314 5 20 IIBD Cc1cccc(C)c1OCCNC(=O)CSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534059441 OKCBBHOWCUZFBZ-UHFFFAOYSA-N 441.509 4.295 5 20 IIBD CC1CCN([C@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c2cccs2)CC1 534649463 AQOYTEVYKRCPCC-HXUWFJFHSA-N 426.542 4.270 5 20 IIBD O=C(Nc1cccc2c1CN(c1nccs1)C2)C1CCN(c2ccccc2[N+](=O)[O-])CC1 534786618 BKLVDJWREVFDAV-UHFFFAOYSA-N 449.536 4.427 5 20 IIBD COc1ccc([C@H](CCO)NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1 534947995 CXOJDJBBGVBRCV-NRFANRHFSA-N 435.480 4.069 5 20 IIBD C[C@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 535205338 ICNQVFWNJDXGDQ-GTMAHKLRSA-N 443.447 4.030 5 20 IIBD CC(C)[C@H]1C[C@H](NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 539030995 IIVUDKKESQCWBS-NFBKMPQASA-N 448.523 4.310 5 20 IIBD Cn1cc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 539155337 UUXINRANUDVFGB-QUCCMNQESA-N 444.850 4.048 5 20 IIBD COc1ccc(Br)c(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 539509332 IZMUDCQVCSHYLK-UHFFFAOYSA-N 431.290 4.056 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3ccc4c(ccn4CC(=O)O)c3)cc2[N+](=O)[O-])CC1 539572498 HAWLLXCHWQMKDX-UHFFFAOYSA-N 436.468 4.123 5 20 IIBD CC[C@@H](NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1nc(C(F)(F)F)cs1 541637128 NKEAXESHIMVBFW-LLVKDONJSA-N 430.408 4.109 5 20 IIBD C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F 542528706 ZECUKWCTLJQMLK-GHMZBOCLSA-N 427.245 4.486 5 20 IIBD CCC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)C(=O)Nc1cccc(N2CCCC2)c1 542761963 APWDDKPZSVTIQJ-FQEVSTJZSA-N 443.479 4.263 5 20 IIBD Cc1c([N+](=O)[O-])cnc(NCc2ccc(COC3CCOCC3)cc2)c1Br 543437629 LNAHPTRLVPZKCD-UHFFFAOYSA-N 436.306 4.368 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)cc1 543620390 LJSKWCVQVIRYGU-UHFFFAOYSA-N 446.422 4.404 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 543852193 KQVZRGXCIUXNOB-QGZVFWFLSA-N 425.363 4.228 5 20 IIBD C[C@H]1CCCCN1C[C@H]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 544223926 VWUSYWJTAMGORS-JKSUJKDBSA-N 425.982 4.453 5 20 IIBD CN([C@H](c1ccncc1)c1ccc(Cl)cc1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] 545355720 GUOLLJFSTDJOOC-FQEVSTJZSA-N 431.901 4.194 5 20 IIBD O=[N+]([O-])c1ccc2sc(-c3nc(CS(=O)(=O)c4ccc(Cl)cc4)no3)cc2c1 546244960 YUWUADJVSGVJBY-UHFFFAOYSA-N 435.870 4.487 5 20 IIBD O=C1CCCN1Cc1cccc(-c2noc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2)c1 547147117 QBLBHKLKICQTIR-UHFFFAOYSA-N 432.358 4.453 5 20 IIBD CC(C)(C)[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cccs2)CCO1 549577957 BRUZWTNSASDJOG-GOSISDBHSA-N 427.530 4.214 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccc(Oc2cccnc2)nc1 551378193 PIOYMYCFGMMVLX-UHFFFAOYSA-N 429.230 4.121 5 20 IIBD CCCOc1cc(NC(=O)c2ccc3c(c2)NC(=O)CS3)c([N+](=O)[O-])cc1OCCC 552579174 VIEYCSILXNSFQJ-UHFFFAOYSA-N 445.497 4.469 5 20 IIBD Cn1cc(C(=O)Nc2cc(F)c(Br)c(F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 553383119 FTKOLDNEACLODS-UHFFFAOYSA-N 437.200 4.288 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 557093337 XTDDXMMPWVOCGF-OALUTQOASA-N 449.429 4.186 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cnn(-c2ccccc2F)c1-n1cccc1 557375972 NVBTVGQFFJELEX-UHFFFAOYSA-N 433.443 4.025 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC2(CCN(Cc3ccccc3)CC2)C1 560679158 YRXBSIIYIPNKHG-UHFFFAOYSA-N 430.508 4.271 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@]2(CCc3ccccc3O2)C1 563781896 UBPIHVYIOFWJPY-GOSISDBHSA-N 443.308 4.060 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 564212784 UNSFVGMSYVAIPF-HUUCEWRRSA-N 440.378 4.216 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCCC(=O)Nc1cc(Cl)cc(Cl)c1 568312720 CCWBPVWTOLEDNR-UHFFFAOYSA-N 430.675 4.243 5 20 IIBD COc1ccc(C)cc1Cc1noc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 569619359 PDALFUXUFXYGBX-IBGZPJMESA-N 436.468 4.171 5 20 IIBD O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)N1CCOc2ccc([N+](=O)[O-])cc2C1 570131635 PKWWZZXQXGJORU-INIZCTEOSA-N 431.317 4.081 5 20 IIBD O=C(N[C@@H]1CCN(CC(F)(F)F)C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 573066295 XCIYDAQNCLDJOH-CYBMUJFWSA-N 425.432 4.112 5 20 IIBD C[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 573277809 GEGDOHOLLMSRFI-OAHLLOKOSA-N 425.466 4.138 5 20 IIBD Cc1c(CNC(=O)C(=O)N[C@H](c2ccc(C(F)(F)F)cc2)C(C)C)cccc1[N+](=O)[O-] 575086025 DTOHYZIGUBJNKK-SFHVURJKSA-N 437.418 4.052 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1(c2ccc(Br)cc2)CCC1 577447319 DZMPGAXYFZQNJE-UHFFFAOYSA-N 446.301 4.054 5 20 IIBD CCC[C@H](NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(N)=O 580123624 XGQXTUQVRYQDEF-ZDUSSCGKSA-N 441.431 4.149 5 20 IIBD COc1cc(/C=C/c2nc(-c3ccc(F)cc3)cs2)c([N+](=O)[O-])cc1OCC(=O)O 581207967 HSHDXVRZCQWPHF-QPJJXVBHSA-N 430.413 4.500 5 20 IIBD COc1ccc2c(c1)CCC[C@@H]2CNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 585759838 HCLVXYXNNWTTFM-MRXNPFEDSA-N 439.512 4.076 5 20 IIBD O=[N+]([O-])c1ccc(Sc2ncc(-c3ccc(F)cc3)o2)c(S(=O)(=O)N2CCCC2)c1 590832040 IHGSBPUTDNREFU-UHFFFAOYSA-N 449.485 4.325 5 20 IIBD CCc1ccc(CN(C(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])C2CC2)cc1 603801928 DGGXHMDVQJNLSI-UHFFFAOYSA-N 427.501 4.091 5 20 IIBD O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 603832569 PMYYIGJMLHJIDE-UHFFFAOYSA-N 432.402 4.053 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@@H](c3ccsc3)N(C)C)cc2[N+](=O)[O-])C1 603872867 ZPGZVZHDBKEIMX-ZOCZFRKYSA-N 430.574 4.171 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCc2sccc2[C@@H]1c1cccs1 608875245 OPQRRCAULUTLOS-BFUOFWGJSA-N 441.534 4.010 5 20 IIBD CCOc1ccccc1CCNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 609014031 HWXIQZDTNXHXLI-UHFFFAOYSA-N 428.432 4.463 5 20 IIBD COc1cc(C(=O)Nc2cccc(CSC3CCOCC3)c2)c([N+](=O)[O-])cc1OC 609699418 PXDACMMQRLHGOC-UHFFFAOYSA-N 432.498 4.277 5 20 IIBD CCc1nc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)nn1-c1ccccc1 609784650 LEQHGYITJPFMFV-UHFFFAOYSA-N 434.481 4.422 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cnn(CC(F)(F)F)c3)cc2[N+](=O)[O-])C1 609816856 IJCHTTNNJOOFBD-STQMWFEESA-N 425.411 4.088 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC(Cc2ccc(C(F)(F)F)cc2)C1 610660081 BLAUXOXNYLYFPX-UHFFFAOYSA-N 430.386 4.114 5 20 IIBD Cc1c(NC(=O)CCN2CCc3c(F)cc(Br)cc3C2)cccc1[N+](=O)[O-] 610729021 AHYLZEYLJBGGMU-UHFFFAOYSA-N 436.281 4.192 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 611200115 CGOFEXRYQAYGKB-OAHLLOKOSA-N 441.509 4.494 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N(CC[C@@H]2C[C@H]3CC[C@H]2C3)C2CC2)cc1[N+](=O)[O-] 726779456 MGOLSXQUBARQKY-HRCADAONSA-N 441.557 4.305 5 20 IIBD CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 727987961 NFXNLRPLUNRLEI-BHWKSOARSA-N 446.554 4.223 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1 729119670 SXWDSNZWSCWBSH-UHFFFAOYSA-N 436.505 4.462 5 20 IIBD C[C@@H](NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)c1csc2ccccc12 730069287 WUKXBEFGTFUQAE-CYBMUJFWSA-N 444.538 4.100 5 20 IIBD CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C(=O)Cc1ccc([N+](=O)[O-])cc1 731023048 REVBMPJXXPTUAV-UHFFFAOYSA-N 425.485 4.141 5 20 IIBD CC(C)CCSc1ccc(C(=O)NCCc2nnc(S)n2C(C)C)cc1[N+](=O)[O-] 731440436 VRIMAOSFUSUTLW-UHFFFAOYSA-N 437.591 4.167 5 20 IIBD O=C(Oc1ccc(Oc2ccccn2)cc1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 731966622 PHXPPOZZZYZOCP-INIZCTEOSA-N 439.449 4.054 5 20 IIBD O=C(COC(=O)c1cccc(COc2cccc(F)c2)c1)Nc1cc([N+](=O)[O-])ccc1F 734051051 PQCJKXUPROSBIW-UHFFFAOYSA-N 442.374 4.248 5 20 IIBD Cc1cc(=O)c(C(=O)OCCCc2cccc3ccccc23)nn1-c1ccccc1[N+](=O)[O-] 737355445 PYOLWISMCDZPSX-UHFFFAOYSA-N 443.459 4.392 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1 739502233 HYARLNQSQMTRCZ-UHFFFAOYSA-N 439.781 4.120 5 20 IIBD CC1CCN(c2ccc(C(=O)NC[C@@H](O)c3c(F)cccc3Cl)cc2[N+](=O)[O-])CC1 741291307 NEKCLWOYFLDARQ-LJQANCHMSA-N 435.883 4.087 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H](c1ccccc1)C1CCOCC1 742297365 ZJAIGFMRTSGZMD-KRWDZBQOSA-N 445.324 4.348 5 20 IIBD CCN(Cc1cccc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c1)C(=O)C(F)(F)F 743624897 SOOQLDUZZPGMRY-UHFFFAOYSA-N 448.401 4.099 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3ccc(OC(C)C)nc3)CC2)ccc1[N+](=O)[O-] 744204955 VKJOTZMGVNBKIS-UHFFFAOYSA-N 429.473 4.002 5 20 IIBD Cc1cc2c(cc1C)O[C@@H](C(=O)N(Cc1nnc(-c3cccc([N+](=O)[O-])c3)o1)C(C)C)C2 744353904 JOCVWAGAIJAWRX-HXUWFJFHSA-N 436.468 4.002 5 20 IIBD Cc1cc(Cl)ccc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 744562383 IDEFBDAEFJGNFH-CQSZACIVSA-N 431.876 4.341 5 20 IIBD Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1NC(=O)OC(C)(C)C 745453848 GWDLSZKOJSAJGA-AWEZNQCLSA-N 443.456 4.434 5 20 IIBD C[C@@H](OC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nnc(-c2cccs2)o1 746091398 ATPXMCSXBDEAER-SECBINFHSA-N 442.375 4.441 5 20 IIBD CN(c1ccccc1Oc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 751276313 NZRQCKXIFUFOFV-UHFFFAOYSA-N 429.410 4.120 5 20 IIBD CC(C)n1ccnc1COC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 752063491 OPMPAOGPESLDMI-UHFFFAOYSA-N 436.468 4.026 5 20 IIBD COc1cccc([C@H](C)CC(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 753541459 XWFRRURNKBSRFJ-GFCCVEGCSA-N 440.374 4.298 5 20 IIBD C[C@H]1C[C@@H](N(C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCN1Cc1ccccc1 753917600 WJUICVZBNYSTFE-HKUYNNGSSA-N 428.508 4.047 5 20 IIBD O=C(NCCc1ccc(Br)cc1)c1cc(F)cc([N+](=O)[O-])c1Br 755012820 OKZIVXQUNZOUFY-UHFFFAOYSA-N 446.070 4.231 5 20 IIBD CCCC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 755060830 IJSOTADILZIKHB-ZIAGYGMSSA-N 430.432 4.391 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 755369913 KGJLZHKYBPHEBV-VIFPVBQESA-N 426.248 4.385 5 20 IIBD Cc1cc(S(=O)(=O)N2CCC[C@@H]2c2c(C)nn(CC(C)C)c2Cl)ccc1[N+](=O)[O-] 759803450 KIZMCJMKHQAVAY-QGZVFWFLSA-N 440.953 4.243 5 20 IIBD CC(C)CC(=O)N[C@@H](C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 760509907 HUASZXCWCKJSTF-OAQYLSRUSA-N 437.452 4.197 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCCCC[C@H]1C[C@H](O)c1ccccc1 764395564 TVIWVZWKIXTLRA-REWPJTCUSA-N 434.496 4.289 5 20 IIBD C[C@@H]1CCCN(c2ccccc2OS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 766497730 WBOJTZPLSCRTSO-OAHLLOKOSA-N 427.482 4.147 5 20 IIBD C[C@@H](c1ccccn1)N(C(=O)CN(C)c1ccccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 766584321 HLWOBMUQEPFCLO-SFHVURJKSA-N 433.512 4.286 5 20 IIBD Cc1cc(S(=O)(=O)Nc2cc(Cl)ccc2N2CCSCC2)cc([N+](=O)[O-])c1F 768269191 HSHGMBSHEXMGPM-UHFFFAOYSA-N 445.925 4.050 5 20 IIBD CC(C)CO[C@H](C)c1noc(CN(C)Cc2ccc(Br)c([N+](=O)[O-])c2)n1 769557807 QRADZBZBCXSPGN-GFCCVEGCSA-N 427.299 4.106 5 20 IIBD O=C(NC[C@H](O)c1cccnc1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 772501198 DZLLQJLORBEXFS-SFHVURJKSA-N 429.885 4.258 5 20 IIBD O=C(OCc1nnc(-c2ccccc2)s1)c1sc(Br)cc1[N+](=O)[O-] 773596086 DKCUQFBVUQNCOH-UHFFFAOYSA-N 426.273 4.294 5 20 IIBD O=C(COC(=O)c1sc(Br)cc1[N+](=O)[O-])Nc1ccc2ccccc2c1 773597722 KTAYVENRNFUTGT-UHFFFAOYSA-N 435.255 4.368 5 20 IIBD O=[N+]([O-])c1cccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)c1Br 775200793 FRIRSYLWUSUCBC-UHFFFAOYSA-N 426.075 4.465 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 781016731 HHJIGTNXECMWRF-AREMUKBSSA-N 449.551 4.448 5 20 IIBD CC(C)(NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)C1CCOCC1 786340716 RDEKTQXCCDNVHE-UHFFFAOYSA-N 427.288 4.022 5 20 IIBD COC(CCCC(C)(C)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)OC 790035288 KAWOQBOCOPUTHB-UHFFFAOYSA-N 435.290 4.042 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cc(NC(=O)CN3CCCC[C@@H]3C)ccc2F)c1F 790250406 VRSZWZOMCBVXEK-AWEZNQCLSA-N 446.454 4.247 5 20 IIBD Cc1noc([C@H](OC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c2ccccc2)n1 790828823 JJHQVZPZWCPSIS-MRXNPFEDSA-N 432.230 4.304 5 20 IIBD COc1ccc(NC(=O)[C@H](OC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 791404023 BNKNXTHAPSZCFE-IFXJQAMLSA-N 432.498 4.291 5 20 IIBD Cc1c(Br)cccc1CC(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 791513119 FEFHFYXSWHOAEN-UHFFFAOYSA-N 432.230 4.002 5 20 IIBD CNc1c(C(=O)OC[C@@H]2CCC(=O)N(C)[C@@H]2c2cccc(Cl)c2)cccc1[N+](=O)[O-] 793159692 XTRYWQYOFLNBBS-VBKZILBWSA-N 431.876 4.056 5 20 IIBD CC(C)c1nsc(COC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1 793220585 BMBAFTDKTUCXSW-ZDUSSCGKSA-N 427.486 4.495 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@]2(CCN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)C1 793606501 VZASNUFRMCQKAD-HXUWFJFHSA-N 427.448 4.029 5 20 IIBD C[C@H]1CN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 793704565 RMEXUSXZIAAVLQ-LIRRHRJNSA-N 447.417 4.292 5 20 IIBD O=C(OCc1ncnn1CCF)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 801310170 ZNTUBPBEQOBFKS-UHFFFAOYSA-N 436.852 4.317 5 20 IIBD Cc1oc(C(C)C)nc1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 803914588 KTKCPBOOOVZDAH-JTQLQIEISA-N 429.351 4.217 5 20 IIBD C[C@]1(C2CC2)NC(=O)N(c2ccc(CNc3ccc([N+](=O)[O-])cc3OC(F)F)cc2)C1=O 804701218 QINLOGBWPKRABO-OAQYLSRUSA-N 446.410 4.033 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)NC1CCC(c2ccccc2)CC1 810347608 IRVHAGVVYLIDOJ-UHFFFAOYSA-N 446.301 4.138 5 20 IIBD O=C(COc1cccc(Cl)c1[N+](=O)[O-])N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 814773550 BSRJGBZTLUWOMI-MRXNPFEDSA-N 432.860 4.152 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 815789049 UHJXOCJZAKKIQL-QWHCGFSZSA-N 445.438 4.379 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC[C@@H]21 817000459 NGNLBFUGCGLZRG-BBRMVZONSA-N 431.514 4.281 5 20 IIBD COc1cccc(C(=O)N2CCC[C@@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)c1[N+](=O)[O-] 817656667 LKRIPBVBGZKBPP-IAGOWNOFSA-N 447.532 4.103 5 20 IIBD CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)NC(=S)N1 839968923 BXXCOPMWENMFJA-OAQYLSRUSA-N 449.488 4.391 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)Nc1ccc(C(F)(F)F)cc1 846292203 XUVLRQWWJZCFNF-UHFFFAOYSA-N 437.374 4.009 5 20 IIBD Cc1c(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 871595740 LEELQHASYSRJMJ-UHFFFAOYSA-N 448.435 4.036 5 20 IIBD CC(C)[C@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)N(C)c1ccccc1 876754956 VOLPFYZDRKTPQW-KRWDZBQOSA-N 435.274 4.202 5 20 IIBD O=C(NCc1nc(-c2ccc(N3CCCCC3)cc2)no1)c1c(Cl)cccc1[N+](=O)[O-] 904612711 VFDUFOVICVTSQG-UHFFFAOYSA-N 441.875 4.219 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccccc1SC(F)(F)F 914948015 PJIMCLXZZXVXJS-SNVBAGLBSA-N 444.387 4.399 5 20 IIBD C[C@@H](OC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(=O)Nc1ccc2ccccc2c1 915471173 JBTVCMJEEUYRAH-OAHLLOKOSA-N 430.420 4.118 5 20 IIBD Cc1ccc(C(=O)CCC(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)s1 917205995 RHLOXQJJGOSHJN-UHFFFAOYSA-N 442.497 4.415 5 20 IIBD CCN(C(=O)[C@@H](C)OC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccccc1 917259140 FLPBMEWXXCANPE-CYBMUJFWSA-N 440.374 4.134 5 20 IIBD CC(=O)Nc1cccc(NC(=O)[C@@H](OC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C(C)C)c1 919212601 VDGUQXOGHCBPBD-FQEVSTJZSA-N 439.424 4.120 5 20 IIBD COc1cc(F)cc(NC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])c1 1252938896 GIHBLIVPVRUDNB-UHFFFAOYSA-N 433.417 4.039 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@H]3CCCC[C@H]3N(C)C)c([N+](=O)[O-])c2)c(C)c1 1321708337 RNSHEOPZHDFCIS-PZJWPPBQSA-N 446.573 4.297 5 20 IIBD COc1ccc(CNc2ccc(-n3cncn3)cc2)cc1OCc1ccc([N+](=O)[O-])cc1 1322733492 HMYOVJNGCUNQPA-UHFFFAOYSA-N 431.452 4.375 5 20 IIBD O=[N+]([O-])c1ccc(NCCc2nc(Cc3ccccc3)no2)nc1OCc1ccccc1 1337651206 NGALEZRTGWOPPK-UHFFFAOYSA-N 431.452 4.197 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)c1nnc(-c2ccc(COc3ccccc3)o2)o1 1341557542 YSAPVSCQXGIQRE-MRXNPFEDSA-N 438.444 4.422 5 20 IIBD Cc1ccc(-c2nnc(N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)n2C[C@H]2CCOC2)cc1 1348716893 ALDQSULGAJFFIG-LJQANCHMSA-N 433.512 4.367 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)NC1(c2ccc(NC(=O)c3cscn3)cc2)CCC1 1787416000 HLIBYPQFZRYFDP-UHFFFAOYSA-N 436.493 4.042 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)NC1(c2ccc(NC(=O)[C@]3(C)C[C@H]3C)cc2)CCC1 1790424462 IZLDRDSLMVDXIH-IQMFZBJNSA-N 437.496 4.403 5 20 IIBD Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(F)c2)cc(Cl)cc1[N+](=O)[O-] 1799609495 FJAVHNJXWCISLP-BCDXTJNWSA-N 445.878 4.261 5 20 IIBD O=C(C1CCC1)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 1824160472 CRISBJKFBNOWNB-HXUWFJFHSA-N 447.963 4.211 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCCCN2C(=O)CCC2CCC2)CC1 1824348251 KQJMAVZPMHKUPU-HSZRJFAPSA-N 441.572 4.337 5 20 IIBD CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)CC1 1830292798 FUQBMOFUKZTSHA-QFIPXVFZSA-N 441.572 4.436 5 20 IIBD CCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1831388214 XWDQNTDQKFCASR-IBGZPJMESA-N 433.524 4.403 5 20 IIBD CSc1ccc(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1[N+](=O)[O-] 9621311 VUFINSPYSICCBI-SECBINFHSA-N 439.833 4.062 5 20 IIBD CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl 18172353 KRIRRAMVUNEJDA-UHFFFAOYSA-N 431.659 4.370 5 20 IIBD Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1 30856650 UGUMIXYCMRJNFV-UHFFFAOYSA-N 432.480 4.226 5 20 IIBD COc1cc(C(=O)NC[C@H]2CCN(C3CC3)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 303420961 YKVBDODHLYRWSY-CQSZACIVSA-N 445.903 4.263 5 20 IIBD CCOCCCN1CC[C@H](NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)[C@H](C)C1 303579680 DHBJFEHTBNGLSM-NQIIRXRSSA-N 440.544 4.205 5 20 IIBD O=C(Nc1nnc([C@H]2CCCc3ccccc32)s1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 432602286 QEOIHZZOVFEQRO-IBGZPJMESA-N 446.492 4.353 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N[C@H]2CC[C@@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] 438673215 MIVUBMCPISGIFG-WMZOPIPTSA-N 437.525 4.016 5 20 IIBD CCCOc1cc(NC(=O)N2CCO[C@H](c3ccco3)C2)c([N+](=O)[O-])cc1OCCC 441236562 ZKTNLTOZMHTAIS-FQEVSTJZSA-N 433.461 4.371 5 20 IIBD CC[C@H](Cc1ccccc1Br)N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C 441850041 SFXHBQYALNUHTB-OAHLLOKOSA-N 448.317 4.084 5 20 IIBD CCCOc1ccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1Cl 446824924 ALYBUAUDZMHOGG-UHFFFAOYSA-N 443.790 4.216 5 20 IIBD O=C(c1cnn2c(-c3ccccc3)ccnc12)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 461712557 PHFPGYQRSJEVCW-QFIPXVFZSA-N 431.477 4.192 5 20 IIBD Cc1c(CN[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)cc2F)cccc1[N+](=O)[O-] 462179214 VXSPYHAUGZLIDR-QFIPXVFZSA-N 446.475 4.464 5 20 IIBD O=C(COc1c(Cl)cccc1Cl)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464640437 SRKMEJIYYVSUJH-UHFFFAOYSA-N 425.268 4.350 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(O[C@@H](C)c2ncc(C(C)(C)C)o2)c([N+](=O)[O-])c1 464789699 BUOQNVBWMYNRIU-ZDUSSCGKSA-N 425.507 4.051 5 20 IIBD CC(C)[C@@H](NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1cccc(C(F)(F)F)c1 465163847 IPBHLMAMPZGOQH-HXUWFJFHSA-N 438.402 4.441 5 20 IIBD C[C@@H]1CCN(CCOc2ccc(NC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 465182916 IIBPSAJCNFHGSN-MRXNPFEDSA-N 447.919 4.376 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](CC)c2nc(C(F)(F)F)cs2)cc1OC 465199820 ZAQQCRCPJIHGSE-JTQLQIEISA-N 433.408 4.359 5 20 IIBD COC(=O)c1cccc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c1OC(C)C 466643113 SATBCTGMWHUQMJ-UHFFFAOYSA-N 436.848 4.230 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1CCC(n2cncn2)CC1 467118295 UXUOJJIYSMIDNF-UHFFFAOYSA-N 443.916 4.468 5 20 IIBD C[C@@H](CN(C)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-])Oc1ccc(Cl)c(Cl)c1 468586757 LGHCTNZXOXZZFC-VIFPVBQESA-N 439.342 4.270 5 20 IIBD CC(C)(C)[C@@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1F 468596595 BVGOXIFSDWBEHI-INIZCTEOSA-N 425.819 4.369 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1nc(C(=O)OC)c(C)s1 471326328 HLVFORGCCCWCDM-RDJZCZTQSA-N 431.514 4.079 5 20 IIBD Cc1ccc(-c2noc([C@H](C)NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)n2)cc1F 472561973 MAHYZHMYWFGZFL-LBPRGKRZSA-N 425.420 4.158 5 20 IIBD CC(C)c1ccc(C(=O)N(C)[C@H](C)c2ccc(N3CCCS3(=O)=O)cc2)cc1[N+](=O)[O-] 474365595 BNDDVABJYVFRIK-MRXNPFEDSA-N 445.541 4.091 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](C)C(F)(F)F 475739473 UYSCXJGWJCECDO-NSHDSACASA-N 433.408 4.015 5 20 IIBD CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O 476174585 XRHJMQSHSSYEIC-UXHICEINSA-N 446.507 4.248 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc1C 477004785 QKRFFGFVSPLZNP-KRWDZBQOSA-N 442.497 4.178 5 20 IIBD CCC[C@@](C)(NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C(=O)OC 478130127 CUUAFUUUSBQUTF-OAQYLSRUSA-N 433.892 4.322 5 20 IIBD CCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 478882273 GALCWFUHGAPWEH-UHFFFAOYSA-N 449.463 4.497 5 20 IIBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccc(Br)c(Cl)c1 479075857 CQPMEAGAJPTRNB-UHFFFAOYSA-N 427.638 4.424 5 20 IIBD C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1 479710368 ALWQTZMLQRCOLR-INIZCTEOSA-N 433.468 4.047 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cc(NC(=O)C(C)(C)C)ccc2C)cc([N+](=O)[O-])c1 480090478 CJWCDQDOYPGELS-UHFFFAOYSA-N 427.457 4.317 5 20 IIBD CN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 480434562 HRZFLMJZUGQACS-QUCCMNQESA-N 434.279 4.042 5 20 IIBD C[C@@H]1CN(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)CC2)CCO1 480526401 IRNXUTFKMDZGMC-QGZVFWFLSA-N 441.553 4.071 5 20 IIBD CCOc1cc(N2CCN([C@H](C)C(=O)Nc3c(C)cc(C)cc3C)CC2)ccc1[N+](=O)[O-] 482872034 IGIIYDUJIUSQQJ-LJQANCHMSA-N 440.544 4.068 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CSc1nnc(N2CCC[C@H](C)C2)n1Cc1ccco1 485376449 PFSFMEDVUUHHJA-HNNXBMFYSA-N 443.529 4.365 5 20 IIBD O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)nc1-c1ccc(F)cc1 485397565 AVNNHMQRPZCVFO-TZIWHRDSSA-N 436.487 4.091 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)S(=O)(=O)Cc1cc2c(cc1Br)OCO2 485403307 MTFHATNAMFNDPM-NSHDSACASA-N 442.287 4.070 5 20 IIBD CC(C)(C)c1cc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])n(-c2ncccn2)n1 485721452 AJXHCFKUFFTXJH-UHFFFAOYSA-N 443.467 4.182 5 20 IIBD COC(=O)c1cc(NC(=O)N2CC[C@H](Oc3cccc(Cl)c3)C2)c(C)c([N+](=O)[O-])c1 486864933 FPBMGRCEADCDTB-INIZCTEOSA-N 433.848 4.028 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)c2cc(F)ccc2I)cc1[N+](=O)[O-] 488064262 BAWNUNPKBZODLH-SNVBAGLBSA-N 428.201 4.138 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCCC1 489801260 CTRDJTATCRFFCR-JOCHJYFZSA-N 438.528 4.115 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C(C)(F)F)cc1 490129788 GXQVPWAUGNHCAU-UHFFFAOYSA-N 438.452 4.292 5 20 IIBD O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H](Oc1cc(Cl)ccc1Cl)c1ccccc1 492935850 FXONIZAKMHXYBF-GOSISDBHSA-N 435.267 4.035 5 20 IIBD O=C(CCSc1ccc2c(c1)OCCCO2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 492959094 IXQKHRGFCPBLSZ-UHFFFAOYSA-N 428.510 4.430 5 20 IIBD COCCN(Cc1cc(Br)cs1)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 494631514 LSLVUQRULZLEPI-UHFFFAOYSA-N 444.307 4.108 5 20 IIBD COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 497800230 QGKBFINCUWZCFK-QGZVFWFLSA-N 436.411 4.026 5 20 IIBD Cc1ccc(C(=O)N2CCOC[C@H]2c2c(C)nn(-c3ccccc3F)c2C)cc1[N+](=O)[O-] 501192297 JCWUCEYXOOFUJP-NRFANRHFSA-N 438.459 4.059 5 20 IIBD Cc1ccc(-c2nn(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)c(=O)c3ccccc23)cc1C 502835075 XGEKGZWYPPYIQM-HXUWFJFHSA-N 445.475 4.028 5 20 IIBD Cc1nn(CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)c2ccc([N+](=O)[O-])cc12 502897782 AANDBAJBKUAQCB-QHCPKHFHSA-N 432.505 4.489 5 20 IIBD Cn1cc(C(=O)N[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 505563644 APMTUDYOJVCUOJ-QAPCUYQASA-N 430.386 4.300 5 20 IIBD C[C@H](NC(=O)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)c1ccc(Br)cc1 505638003 OUJDLQXZKCHMBU-ZDUSSCGKSA-N 429.274 4.098 5 20 IIBD CCOc1ccccc1[C@H](CC)NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 505900231 XKHUYQGLWFFJKQ-INIZCTEOSA-N 441.513 4.154 5 20 IIBD O=C(CC[S@](=O)Cc1csc(CCc2ccccc2)n1)Nc1ccccc1[N+](=O)[O-] 507685045 XMTQLVNQWUGPCI-PMERELPUSA-N 443.550 4.114 5 20 IIBD CC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 507861320 FXOGHFKVSZTIKB-HNNXBMFYSA-N 449.511 4.237 5 20 IIBD Cc1cc(C)c(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)c(C)n1 509117635 NHHFCYSVDUHMSQ-UHFFFAOYSA-N 425.226 4.080 5 20 IIBD CCCC(=O)Nc1nc2ccc(NS(=O)(=O)c3ccc(C)cc3[N+](=O)[O-])cc2s1 509610383 KAMHPAAPRYZFOE-UHFFFAOYSA-N 434.499 4.052 5 20 IIBD Cc1cc(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)n(-c2ccc(C(F)(F)F)cn2)n1 510225863 XREXVJQISFGAKG-UHFFFAOYSA-N 448.405 4.209 5 20 IIBD COc1ccc(Br)cc1[C@H]1CCCN1C(=O)NCc1ccc([N+](=O)[O-])cc1 510476897 SDWWSXGFRWYZHS-QGZVFWFLSA-N 434.290 4.413 5 20 IIBD CC[C@H](NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)c1ccc(Cl)s1 510709119 IJBJDTSATRQMRM-LBPRGKRZSA-N 432.889 4.045 5 20 IIBD COc1ccccc1-c1nc(C2CCN(Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)no1 510779790 LFIIDBZRWXQAOL-UHFFFAOYSA-N 430.411 4.311 5 20 IIBD Cc1cc(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)ccc1I 512412564 VXYWBICLNZCXNS-UHFFFAOYSA-N 437.237 4.005 5 20 IIBD Cc1c(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cnn1-c1ccc(Br)cc1 513009889 VVVHWFWMXKJKAQ-UHFFFAOYSA-N 443.301 4.166 5 20 IIBD Cc1nn(-c2ccccc2)cc1CCCN[C@@H](c1cccc([N+](=O)[O-])c1)c1nccn1C 513667172 PTXOFPZRLULQIA-QHCPKHFHSA-N 430.512 4.134 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCC[C@@](CO)(c2ccccc2)C1 513904799 BMHZONFFYHLDPT-AREMUKBSSA-N 448.469 4.126 5 20 IIBD C[C@H]1CCCN(Cc2ccc(CN[C@H](c3cccc([N+](=O)[O-])c3)c3nccn3C)cc2)C1 514090418 VDEONHZGFWKTNV-YADARESESA-N 433.556 4.439 5 20 IIBD CCC1CCC(N(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C2CC2)CC1 515051960 LCYNNFCTNJBFGS-UHFFFAOYSA-N 429.546 4.448 5 20 IIBD COc1ccc(CNC(=O)c2cnn(-c3ccccc3C)c2C(F)(F)F)cc1[N+](=O)[O-] 515730725 NBGKUZHYBMQGMF-UHFFFAOYSA-N 434.374 4.046 5 20 IIBD O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 515879728 TUGCOFYCCIOZQT-LBPRGKRZSA-N 444.900 4.349 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCc1cccc(COCc2ccccc2)c1 517914698 UHILICPLQKKYSN-UHFFFAOYSA-N 446.912 4.444 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cc(-c2nnc3n2CCCCC3)ccc1F 520963938 OYMCWZDWQXXFKB-UHFFFAOYSA-N 448.458 4.312 5 20 IIBD C[C@@H](Oc1ccccc1NC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 524551702 RREZRMCDAJGMSO-QGZVFWFLSA-N 433.464 4.332 5 20 IIBD COc1ccc(CSCC(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)cc1[N+](=O)[O-] 525028709 NHWIVNJVJXBUNU-INIZCTEOSA-N 449.960 4.275 5 20 IIBD COc1cc(CCNC(=O)c2ccccc2CCC(F)(F)F)c([N+](=O)[O-])cc1OC 535370205 SGDXYRQCZOXXKS-UHFFFAOYSA-N 426.391 4.079 5 20 IIBD Cc1ccc(-n2ccnc2S(=O)(=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1C 535510753 MUKNPLLLANYRES-UHFFFAOYSA-N 438.465 4.026 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CN[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 537021304 PTDCJHKWOXHWQC-SFHVURJKSA-N 437.418 4.076 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 538042219 UALFHEXLURJFMZ-BBATYDOGSA-N 432.274 4.345 5 20 IIBD O=[N+]([O-])c1ccccc1/C=C\CNCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 538426072 YMRZVVJEWSPJSM-HYXAFXHYSA-N 441.484 4.338 5 20 IIBD Cc1ccc(Br)cc1NC(=O)CCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C 538741427 ZTEPUXMCDSHCNK-UHFFFAOYSA-N 448.317 4.350 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cnc2c(cnn2Cc2ccccc2)c1 539794613 ZPLPDXQHNKAMSF-UHFFFAOYSA-N 435.871 4.014 5 20 IIBD CN(CCC1CCN(c2ccncc2)CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 540046725 CXQZKSOKAWUFKQ-UHFFFAOYSA-N 449.458 4.362 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnn(S(=O)(=O)c3c(Cl)cccc3C(F)(F)F)c2)c1 540867351 FGUKZXCVAYLSJL-UHFFFAOYSA-N 431.779 4.368 5 20 IIBD O=C(c1nccnc1Sc1ccccc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 541260012 YYBWWECTMHJAHK-UHFFFAOYSA-N 436.493 4.220 5 20 IIBD O=C(NCCCc1nc(-c2ccc(F)cc2)no1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 541520131 TZJAIWRSJOXUKT-UHFFFAOYSA-N 439.447 4.091 5 20 IIBD COC1CCC(CCNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CC1 541631848 NKQUQUTXPSQGHM-UHFFFAOYSA-N 441.315 4.412 5 20 IIBD CC(C)c1ccc(NC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C(C)C)c1 542644968 MUYCCLZXAXXRFN-UHFFFAOYSA-N 433.530 4.437 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)NCc1cccc(Cn2cnc3ccccc32)c1 544315963 TVRGKMDGFQWSNM-UHFFFAOYSA-N 445.479 4.001 5 20 IIBD Cn1cnnc1Sc1ccc(-c2nc(Cc3cccc(Cl)c3)no2)cc1[N+](=O)[O-] 546957161 WFDVSBFIBPVGGU-UHFFFAOYSA-N 428.861 4.169 5 20 IIBD COc1cc(Br)ccc1-c1noc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 547193977 FKMDRXXJLKCNGQ-UHFFFAOYSA-N 429.230 4.488 5 20 IIBD CCOc1ccc(-c2noc(CCc3nc(Cc4cccc([N+](=O)[O-])c4C)no3)n2)cc1 547195597 VPTBRASEMDYWBY-UHFFFAOYSA-N 435.440 4.111 5 20 IIBD CC(C)OC[C@H]1CN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 547442307 UGFASIFSHAZYGC-HSZRJFAPSA-N 436.512 4.073 5 20 IIBD COc1ccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)C2=O)c(OC)c1 553364068 CHVLWZMDIFULFD-GOSISDBHSA-N 443.500 4.002 5 20 IIBD O=C(NC[C@@H]1CCCSC1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 553731713 PVGVNVNINTZSEG-ZDUSSCGKSA-N 431.480 4.089 5 20 IIBD Cc1n[nH]cc1C1CCN(C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 557173859 ZQHOWKAFLVRDCS-HOTGVXAUSA-N 425.533 4.128 5 20 IIBD COCCN(C(=O)c1cc(F)ccc1OC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 557906946 OAINYWZPRKHKIY-UHFFFAOYSA-N 431.445 4.159 5 20 IIBD CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 559658115 RIOKFPOEAPNMFB-YJBOKZPZSA-N 427.486 4.212 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccc(Oc2ccccc2OC)cc1 568570382 HFCSDKHLVPRRBN-UHFFFAOYSA-N 449.463 4.213 5 20 IIBD COc1cc(Cc2noc(-c3cc(C)n(C4CCCCC4)n3)n2)c([N+](=O)[O-])c(OC)c1 568588931 WAWAZMUFTZVTLU-UHFFFAOYSA-N 427.461 4.263 5 20 IIBD CC(=O)N(c1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1)[C@H]1C[C@H]1C 568684267 OHHSXBQJQGPXHF-MWTRTKDXSA-N 436.512 4.211 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C 570110068 RLKVBKUNLSZOPF-LJQANCHMSA-N 438.450 4.100 5 20 IIBD CCOc1ccccc1-n1nnnc1SCc1cc([N+](=O)[O-])ccc1C(F)(F)F 572738867 XWPQLFVLRCNSAV-UHFFFAOYSA-N 425.392 4.280 5 20 IIBD O=[N+]([O-])c1cc2ccccc2nc1NCc1cccc(-c2nc(CC(F)(F)F)no2)c1 577253168 VQUFBFWSFNYCFP-UHFFFAOYSA-N 429.358 4.910 5 20 IIBD O=C(Nc1cccc(Cl)c1Br)N1CCOc2ccc([N+](=O)[O-])cc2C1 579651788 GYZRQYWNGHUIPT-UHFFFAOYSA-N 426.654 4.437 5 20 IIBD CS(=O)(=O)c1ccc(N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)c([N+](=O)[O-])c1 581088121 NYBZLHFAPKGUCA-CQSZACIVSA-N 428.432 4.401 5 20 IIBD COc1cccc(Cc2nnc(NC(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)s2)c1 582991923 KTMXHQBRAQQLEA-UHFFFAOYSA-N 438.387 4.317 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCCc4sccc4C3)n2C[C@@H]2CCCCO2)c1 589679881 FAYBSZNLIWSUCY-IBGZPJMESA-N 439.541 4.437 5 20 IIBD COC(=O)c1cc(Br)ccc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 603819781 KTJQOGFHIKAOKO-JTQLQIEISA-N 439.287 4.263 5 20 IIBD O=C(CN1CCC(c2nc(-c3ccccc3)no2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] 609146391 KDGNGPJBPFZIRN-UHFFFAOYSA-N 441.875 4.116 5 20 IIBD Cc1ccc(OCc2nc(CC(=O)Nc3ccnn3-c3ccc([N+](=O)[O-])cc3)cs2)cc1 609151470 PHWSFPHABSFQGQ-UHFFFAOYSA-N 449.492 4.306 5 20 IIBD NC(=O)c1ccc(Oc2ccc(C(=O)Nc3cc(-c4cccc([N+](=O)[O-])c4)[nH]n3)cc2)cc1 609287512 NDYAUAXIWMKUIR-UHFFFAOYSA-N 443.419 4.128 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1NC(=O)C[C@@H]1C=CCC1 609323080 SDRJGRFIVQIPMG-OAHLLOKOSA-N 429.498 4.253 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)cc([N+](=O)[O-])c1 609695623 OCNLESUVSDEEPO-SSEXGKCCSA-N 432.498 4.071 5 20 IIBD COC(=O)c1ccc(S(=O)(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)s1 609761505 RKOJIYNVROTOPL-UHFFFAOYSA-N 434.451 4.036 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(N2CCc3sccc3C2)nc1 609783671 XSTAYZIORHCNRT-UHFFFAOYSA-N 428.901 4.449 5 20 IIBD C[C@@H](C(=O)O)N(C)C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 610891813 AVFVMVXSNCYOQZ-JMRXEAOASA-N 425.466 4.067 5 20 IIBD CCOC(=O)c1csc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)n1 611214120 QXODDLSVFQNPKM-UHFFFAOYSA-N 435.527 4.193 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CCC(OC[C@@H]2CCOC2)CC1 612322206 DRNAOMCDYUFONM-MRXNPFEDSA-N 434.558 4.287 5 20 IIBD Cc1cccc(C)c1OCc1nnc(Sc2c([N+](=O)[O-])ncn2C)n1-c1ccccc1 619685622 ROTRGDGINKUZJH-UHFFFAOYSA-N 436.497 4.256 5 20 IIBD Cc1ccc(C(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)c(C)c1 725821913 NUILNIIBLPKHEM-UHFFFAOYSA-N 436.917 4.149 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OCc2nc(-c3ccccc3)oc2C)ccc1[N+](=O)[O-] 726675193 GCAOEIODDADLJZ-OAQYLSRUSA-N 449.463 4.215 5 20 IIBD O=C(NCc1nc(-c2ccccc2)n[nH]1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 726776009 YPFAKJZNGPBHNI-UHFFFAOYSA-N 431.477 4.461 5 20 IIBD COC(=O)CSCc1cccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1 728498865 MJLNRQLNROQGCA-UHFFFAOYSA-N 439.287 4.016 5 20 IIBD O=C(CC1CCC(c2ccccc2)CC1)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 731135035 DRZPDJDWDOABKL-UHFFFAOYSA-N 436.917 4.417 5 20 IIBD O=C(COCc1nc2ccccc2s1)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 735445479 ILFHDDHXOROWFS-UHFFFAOYSA-N 425.422 4.120 5 20 IIBD COc1cc(C(=O)OCC2(C(F)(F)F)CC2)c([N+](=O)[O-])cc1OCc1cscn1 739339690 QUUASPZWNXYYAT-UHFFFAOYSA-N 432.376 4.138 5 20 IIBD COc1ccccc1/C(C)=C\C(=O)OC1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 739382482 YDRBDQWFSJHZPT-PEZBUJJGSA-N 426.469 4.228 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)OCc1ccc([N+](=O)[O-])cc1Br 739579549 ILWQDQQPPORUHL-UHFFFAOYSA-N 427.232 4.101 5 20 IIBD COC(=O)CC(C)(C)NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 741196497 IYXGOJBUTBVEMI-UHFFFAOYSA-N 436.848 4.121 5 20 IIBD CCO[C@H]1C[C@@H]1C(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 744284645 UNKFUOAVEQTPCA-GUYCJALGSA-N 439.251 4.484 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@@H](C)c1ccccc1C(F)(F)F 745306287 ADORMMFKZMYJQJ-RYUDHWBXSA-N 440.374 4.296 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 746262624 IZYSCAOGYKIAFK-RDTXWAMCSA-N 437.265 4.225 5 20 IIBD CN(Cc1csc(CNC(=O)c2ccccc2)n1)Cc1cc([N+](=O)[O-])ccc1Cl 746498874 BDGALKSTOFXRED-UHFFFAOYSA-N 430.917 4.267 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2cc(Cl)ccc2[N+](=O)[O-])cc1 746653110 BKCHNHGBNVIEIV-AWEZNQCLSA-N 425.938 4.130 5 20 IIBD Cc1ccsc1[C@H]1C[C@@H]1C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 748451567 QYRXDEGXCIXGKC-RYUDHWBXSA-N 428.388 4.269 5 20 IIBD C[C@@H](OC(=O)CCNC(=O)Nc1ccc(Br)cc1)c1ccccc1[N+](=O)[O-] 749055687 NKFLEHOXJQBFRL-GFCCVEGCSA-N 436.262 4.173 5 20 IIBD COc1ccc(C2(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3Cl)CC2)cc1 750865033 QIYDTXPLSUEZLV-UHFFFAOYSA-N 425.666 4.438 5 20 IIBD C[C@@H](OC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)Nc1cccc2ncccc12 750964145 HWMBEHBBRGBMNV-LLVKDONJSA-N 444.241 4.090 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)Nc1ccc2ccccc2c1 751690398 KNXPIXLVEDTQQN-UHFFFAOYSA-N 447.216 4.445 5 20 IIBD COc1cccc2sc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3Br)nc12 754627270 BRYFJMZVPZOXOV-UHFFFAOYSA-N 426.223 4.367 5 20 IIBD CC(C)(C)OC(=O)Nc1cc2c(cc1NC(=O)CCc1cccc([N+](=O)[O-])c1)OCO2 755377519 BECPUDFNKHVKRZ-UHFFFAOYSA-N 429.429 4.242 5 20 IIBD Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1OCc1ccccc1 756298563 ZMUPIQSBQSMHRT-UHFFFAOYSA-N 430.804 4.326 5 20 IIBD COC(=O)Cc1sc(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])nc1-c1ccccc1 760395776 UTUXAGZLKOIFBF-UHFFFAOYSA-N 429.429 4.134 5 20 IIBD Cc1nn(C)c(C)c1[C@H](OC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(F)(F)F 760759773 UWDYCZIGXCSSII-ZDUSSCGKSA-N 436.184 4.168 5 20 IIBD O=C(O[C@H]1CCO[C@H](C2CCOCC2)C1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 763125691 SOYPUELTVBYSKQ-UGKGYDQZSA-N 426.469 4.469 5 20 IIBD COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)c1 763512799 TYZPDFGFFOLQIH-UHFFFAOYSA-N 442.374 4.491 5 20 IIBD C[C@@H]1[C@H](C(F)(F)F)OC(=O)N1c1ncccc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 764308237 ZLHDIDTWAJRNDA-AMIZOPFISA-N 444.753 4.172 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)OCC[C@@H]1CCCCN1C(=O)c1cccn1C 764612562 JDMAFXBLSWRESF-INIZCTEOSA-N 445.541 4.287 5 20 IIBD CC1(C)Cc2ccc(Cl)cc2[C@H]1OC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 766857613 LFSOPQCVNZMCIU-HXUWFJFHSA-N 442.855 4.382 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@@H](CCO)c2cccs2)cc1[N+](=O)[O-])c1ccccn1 768873267 RNZLKOXKHNXIBL-KSSFIOAISA-N 426.498 4.078 5 20 IIBD Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)c1 768898478 VBGFEKVEAFKBRQ-QFIPXVFZSA-N 430.464 4.156 5 20 IIBD O=C(Nc1ccc(F)cc1)C1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 769307085 ZYKLOWHLQANKCP-UHFFFAOYSA-N 436.281 4.347 5 20 IIBD COCCC1(CNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 769600612 WBPXUHHPAOYYRP-UHFFFAOYSA-N 431.876 4.047 5 20 IIBD COc1ccc(S(=O)(=O)Oc2cc(NC(=O)OC(C)(C)C)ccc2C)c([N+](=O)[O-])c1 769672006 PNOVPXOWYRTPLC-UHFFFAOYSA-N 438.458 4.027 5 20 IIBD O=C(NCc1cnn(-c2ccc(Br)cc2)c1)c1cc(Cl)ccc1[N+](=O)[O-] 773172407 RSHFMBWYNJLINB-UHFFFAOYSA-N 435.665 4.126 5 20 IIBD Cc1ccccc1Cc1noc(COC(=O)c2sc(Br)cc2[N+](=O)[O-])n1 773602989 DUAPSRITGOGRKV-UHFFFAOYSA-N 438.259 4.058 5 20 IIBD CC(C)([C@@H](OC(=O)c1cc(O)nc(C2CC2)c1)c1ccc(Br)cc1)[N+](=O)[O-] 774372192 BFLZOIYHTLPICL-KRWDZBQOSA-N 435.274 4.381 5 20 IIBD CCc1ccc(N2C[C@@H](C(=O)O[C@@H](c3cccnc3)c3ccccc3[N+](=O)[O-])CC2=O)cc1 776130386 AHCCOVOUZBDSOC-CYFREDJKSA-N 445.475 4.238 5 20 IIBD CC(C)(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1I)C(F)(F)F 778131173 NRQUSJKWPRICLH-NSHDSACASA-N 444.191 4.296 5 20 IIBD CC(C)[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)Nc1ccccc1F 778887897 OVIWVECDJBLZNV-INIZCTEOSA-N 426.347 4.155 5 20 IIBD Cc1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c(C)n1Cc1ccco1 778887915 PCQYTXKDZQRCNJ-UHFFFAOYSA-N 448.378 4.296 5 20 IIBD C[C@@H](OC(=O)c1cccc(Br)c1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1 780130502 CBLDAESCRCEVFS-SECBINFHSA-N 427.638 4.195 5 20 IIBD CC(=O)c1ccccc1OCCOC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781257664 MFOCVSLKYNCXCW-UHFFFAOYSA-N 437.398 4.398 5 20 IIBD COc1ccc(C[C@H](C)C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC 781313704 CXUAUQMSLMJVEC-AWEZNQCLSA-N 426.425 4.189 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccccc1OC[C@@H]1CCCCO1 781609241 JLGHFAQFWXIBPF-KRWDZBQOSA-N 429.429 4.022 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 783032943 OXCUIHIKUKBQHI-IRXDYDNUSA-N 432.521 4.105 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)cc2)CCO1 785817213 BBOFKFYQHNLYJI-ZDUSSCGKSA-N 438.406 4.160 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)C[C@@H](C)c1c[nH]c2ccccc12 787228642 UWWGRQYJRGRVIL-KGLIPLIRSA-N 425.441 4.149 5 20 IIBD Cc1ccc(C(=O)[C@H](OC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)c2ccc(C)cc2)cc1 789841835 OPMUUJVGZUEIKK-XMMPIXPASA-N 446.459 4.109 5 20 IIBD O=C(c1cc(F)c(Cl)nc1Cl)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791243063 BPKHBWCZVOVHBM-UHFFFAOYSA-N 449.063 4.397 5 20 IIBD O=C(NC[C@H]1CCCN(c2nc3ccc([N+](=O)[O-])cc3s2)C1)OCc1ccccc1 795242054 KRWGMAPNJJUVPW-MRXNPFEDSA-N 426.498 4.347 5 20 IIBD O=C(Nc1ccccc1)c1cccc(C(=O)O[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 797137837 RQDNQSFQVSTRPU-PMACEKPBSA-N 434.452 4.384 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CNc1cc2c(cc1NC(=O)c1cccs1)OCCO2 797423290 UGQXUPARLKRIJM-UHFFFAOYSA-N 441.465 4.301 5 20 IIBD O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)c1cc(S(=O)(=O)C2CCCC2)ccc1F 797452641 FKMTYIZDXHTFLE-UHFFFAOYSA-N 441.864 4.461 5 20 IIBD CC(C)(C)OC(=O)N1CCC(COC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 800171366 GYZLJBBYWBTOBR-UHFFFAOYSA-N 443.294 4.161 5 20 IIBD C[C@]1(C2CC2)NC(=O)N(c2ccc(CNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O 804701113 PPNOPOQUHHYZMC-HXUWFJFHSA-N 448.401 4.451 5 20 IIBD Cc1c(-c2ccccc2)oc2c(-c3nc(-c4c([N+](=O)[O-])ncn4C)no3)cccc2c1=O 809476358 MTRLTUYRHCZXHX-UHFFFAOYSA-N 429.392 4.127 5 20 IIBD O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CCN(c2nnc(C(F)(F)F)s2)CC1 809979811 BYBJPTNVFUFYLC-UHFFFAOYSA-N 442.250 4.094 5 20 IIBD COc1cccc(C(=O)N2CCC[C@@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)c1[N+](=O)[O-] 817656669 LKRIPBVBGZKBPP-SJORKVTESA-N 447.532 4.103 5 20 IIBD C[C@H](OC(=O)COc1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 913030365 OACSYVQXVGOJEC-NSHDSACASA-N 437.330 4.347 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC1(Cl)Cl 916568866 HQLPCTUTNHAXGN-NSHDSACASA-N 446.312 4.010 5 20 IIBD CCCCc1c(C)nc2nc(S[C@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)nn2c1C 917262485 VNQJUJTXZIEFLY-CYBMUJFWSA-N 446.508 4.250 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCC1(c2cccc(Br)c2)CCOCC1 917792463 VXNAZIVUQMLOOK-RMKNXTFCSA-N 445.313 4.235 5 20 IIBD CC1=C(C(=O)N(C)C)[C@@H](c2csc([N+](=O)[O-])c2)NC(=S)N1c1ccccc1Cl 918014093 IFFOJJATRPLETR-MRXNPFEDSA-N 436.946 4.108 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1 919687167 ZBQGTLKCERGIHX-LFIXQJEJSA-N 431.851 4.420 5 20 IIBD O=C(NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1sc2ccccc2c1Cl 920332111 VFOVIJKVYDJZER-UHFFFAOYSA-N 431.278 4.235 5 20 IIBD C[C@@H](OC(=O)c1ccc(Cn2cccc2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 1318508403 CMSYCNSYHNHGMC-CQSZACIVSA-N 427.844 4.282 5 20 IIBD COc1ccc(NC(=O)N2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)c([N+](=O)[O-])c1 1517312214 DIKATYOPTFIYFV-QGZVFWFLSA-N 441.362 4.107 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)[C@H]4CCC[C@H]4C)cc3)CCC2)ncc1[N+](=O)[O-] 1789207535 PEOQUUWKMQGIRM-BEFAXECRSA-N 436.512 4.482 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC3(F)F)CCC2)cc1 1790809603 VCNVHGLVAIUXIE-INIZCTEOSA-N 445.422 4.012 5 20 IIBD COc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccnc4)CCC3)cc2)ccc1[N+](=O)[O-] 1792163758 JCYVCUCVOZEKAV-UHFFFAOYSA-N 446.463 4.060 5 20 IIBD Cc1ncc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccccc4[N+](=O)[O-])cc3)CCC2)[nH]1 1792315541 YZOAGOAZPURRQU-KPKJPENVSA-N 445.479 4.087 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2occc2c1)c1ccc([N+](=O)[O-])cc1F 1797566271 IFUZJRRSWJMCOH-BJWYYQGGSA-N 437.427 4.046 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(Cl)cc1F 1800520735 UCYIFLCONPXGQK-MUJYYYPQSA-N 449.841 4.092 5 20 IIBD Cc1csc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)c1 1800713042 MZYYPCVWWCVJDI-MUJYYYPQSA-N 447.944 4.492 5 20 IIBD CC[C@H](C)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2F)[nH]n1 1815044474 MIRIBAQTTZZFJZ-IFXJQAMLSA-N 445.495 4.128 5 20 IIBD CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1832903031 LCRNACMOUHDGIH-YVNCXZRQSA-N 427.545 4.274 5 20 IIBD C[C@H](C(=O)N1CC2(CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1)c1ccccc1 1845739804 MZMXHSVDYUEKNV-INIZCTEOSA-N 449.532 4.430 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccc(Br)cc1 1984897 PXMFLASDWGCOOY-VIFPVBQESA-N 427.638 4.195 5 20 IIBD Cc1nn(Cc2ccccc2)c2sc(C(=O)NCCNc3ccc([N+](=O)[O-])cc3)cc12 9890320 QHUFVIDLFHLHGX-UHFFFAOYSA-N 435.509 4.205 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1Cc1ccccc1)Nc1cccc(N2CCCC2=O)c1 11273782 GXHHMWVGXCZAJJ-UHFFFAOYSA-N 445.475 4.330 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1 15411231 BTQUPRWDXWXOMP-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)cc1[N+](=O)[O-] 16722275 BPRRKTRKYASJEV-UHFFFAOYSA-N 445.530 4.026 5 20 IIBD O=C(CSc1nnc(NCc2ccco2)s1)Nc1ccc([N+](=O)[O-])cc1Cl 17982990 JIRQIISEFPYSMP-UHFFFAOYSA-N 425.879 4.036 5 20 IIBD CC(C)NC(=O)COC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 18494080 SAVWBEJFQZLELI-WJDWOHSUSA-N 439.493 4.203 5 20 IIBD C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 22471733 PWQSTEXIYYHLKD-CQSZACIVSA-N 426.425 4.210 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])c3cccnc23)cc1 24058320 XIVYCYFIKCVPND-OAHLLOKOSA-N 428.514 4.347 5 20 IIBD CC(=O)Nc1ccc(NC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])c(C(F)(F)F)c1 24122768 RRQOBQIHHYGXSM-UHFFFAOYSA-N 431.754 4.243 5 20 IIBD Cc1ccc([C@@H](NC(=O)COC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 24997563 LKKZXTDORFWDJH-YCRPNKLZSA-N 428.510 4.195 5 20 IIBD CCn1c(SCCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1OC 26371303 ZNTFNDPDKVSWPO-UHFFFAOYSA-N 427.486 4.003 5 20 IIBD Cc1cc(C)n(CCCNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)n1 27382725 ZSVBGFSFOIOQFO-UHFFFAOYSA-N 441.919 4.494 5 20 IIBD CC(=O)NCCc1ccc(C(=O)COc2ccc([N+](=O)[O-])cc2Cc2ccccc2)cc1 31767672 NVPGSWGIJYYCGX-UHFFFAOYSA-N 432.476 4.126 5 20 IIBD Cc1ccc(NC(=O)C2CC2)cc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 46893558 FWHGEGRNSPFFMF-UHFFFAOYSA-N 425.488 4.450 5 20 IIBD O=C(Nc1ccccc1NS(=O)(=O)c1ccccc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 64509816 INFOOQDTYZLAHK-UHFFFAOYSA-N 436.449 4.129 5 20 IIBD COC(=O)Cc1sc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 65429839 ZKHGIDWCAFHAND-UHFFFAOYSA-N 443.506 4.165 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(C(=O)NC3CCCC3)cc2C)c1 65624009 OJXMSJOIBABLDT-UHFFFAOYSA-N 425.485 4.292 5 20 IIBD O=C(NCc1ccccc1CN1CCCCCC1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 303526530 QKMINLCTZVWCDD-UHFFFAOYSA-N 434.496 4.155 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 303635123 GMQXQDIAVWGWLD-ZIAGYGMSSA-N 437.468 4.072 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CCSC[C@H]1c1ccc(Cl)cc1 303660487 HGANIVVKZXFHRD-SFHVURJKSA-N 429.885 4.432 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3ccc(O[C@H]4CCOC4)cc3)cc2[N+](=O)[O-])CC1 303797889 LCWWZNOOFMCYRP-FQEVSTJZSA-N 425.485 4.251 5 20 IIBD COc1ccc(NC(=O)CNc2ccc(F)cc2OCCC(F)(F)F)c([N+](=O)[O-])c1 409850434 MKNZERKWFIMXPB-UHFFFAOYSA-N 431.342 4.124 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2cccc3c(=O)n(C)ccc23)cc1[N+](=O)[O-])c1ccccn1 410358787 KBJPTQDSIWUTOF-HNNXBMFYSA-N 443.463 4.267 5 20 IIBD O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 426302538 SGIQXUZMZNCJAE-UHFFFAOYSA-N 440.872 4.129 5 20 IIBD Cn1c(CCNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])nc2ccc(F)cc21 426340008 OORZCTNFFMOQPO-UHFFFAOYSA-N 448.454 4.172 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C(=O)OC)c1Br 427156113 WEGLKKNZVINCKG-ZDUSSCGKSA-N 435.274 4.351 5 20 IIBD O=C([C@H]1CC=CC[C@H]1c1nc2ccccc2s1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 427822230 YPMUJBYQHGBACF-SJORKVTESA-N 437.525 4.315 5 20 IIBD CC[C@H](C)Oc1ccc(NC(=O)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 427883716 RGWRXUZROVEOOI-LBPRGKRZSA-N 439.390 4.046 5 20 IIBD COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 428618220 BSGZNMZHXPFSSY-SFHVURJKSA-N 429.860 4.021 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 429219840 YVJRKRPAEFLHIB-IBGZPJMESA-N 427.848 4.300 5 20 IIBD CCc1ccc(N(C(C)=O)c2nc(Cn3cc(Cl)cc([N+](=O)[O-])c3=O)cs2)cc1 432231943 KAYWJZSSRUCXFA-UHFFFAOYSA-N 432.889 4.162 5 20 IIBD COC(=O)c1cccc(NC2CCN(C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)c1 432469367 OCRBGPBNNPYAFE-INIZCTEOSA-N 440.500 4.037 5 20 IIBD CC(C)(C)CCN1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 436146330 CRKFNZNANJFHIH-UHFFFAOYSA-N 427.495 4.154 5 20 IIBD Cc1cc(C)n(-c2ccc(CNC(=O)c3ccc(O)c([N+](=O)[O-])c3)c(C(F)(F)F)c2)n1 436948028 GCVCNIAQRSOJAF-UHFFFAOYSA-N 434.374 4.052 5 20 IIBD CC(C)CNC(=O)c1ccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 437821432 LUVVNFBANSRBJP-UHFFFAOYSA-N 440.500 4.056 5 20 IIBD CC(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c(Cl)c1 438768727 ZWKPQRMUIMBELM-UHFFFAOYSA-N 438.676 4.314 5 20 IIBD CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)Cc1cccc([N+](=O)[O-])c1C 439040564 ITHIEUWNSKNUBP-UHFFFAOYSA-N 428.876 4.187 5 20 IIBD CN(C)CCOc1cc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])ccn1 441056144 OVVQVLUDZVNWPE-UHFFFAOYSA-N 438.509 4.334 5 20 IIBD O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1CCOC[C@]12CCOC2 441506781 RKXLVRRRDVERRY-HXUWFJFHSA-N 434.901 4.031 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 444925535 VQVXIOIZXGGSOL-UHFFFAOYSA-N 444.289 4.482 5 20 IIBD Cc1cc(Br)ccc1-c1noc(CSc2ccc(C(N)=O)cc2[N+](=O)[O-])n1 445459891 JEWDNYBUNKFDTL-UHFFFAOYSA-N 449.286 4.107 5 20 IIBD O=C(N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1sc(Br)cc1[N+](=O)[O-] 446026413 RNXRFQTXJFXWIX-OAHLLOKOSA-N 439.287 4.071 5 20 IIBD O=C(c1cccc2ccccc12)N1CCC[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 446422513 KANOTNSPRBOXQI-FQEVSTJZSA-N 443.503 4.185 5 20 IIBD CCc1nc2ccccc2n1Cc1noc(CSCc2ccc(OC)c([N+](=O)[O-])c2)n1 460754915 SFQNBCAEEOVJGL-UHFFFAOYSA-N 439.497 4.380 5 20 IIBD CN(CC(=O)Nc1ccccc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1Cc1cccs1 461491200 RHJPNTSPFOUMDX-UHFFFAOYSA-N 448.508 4.038 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1CNC(=O)Nc1ccccc1 462903016 BHBJOSFHFZMLCH-UGKGYDQZSA-N 438.528 4.366 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)[C@H]1CCc2c[nH]nc2C1 463691209 PYLSZQIHXKBDBP-ZDUSSCGKSA-N 444.850 4.324 5 20 IIBD C[S@@](=O)c1ccc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cc1 463988659 GPAKFVPVDKRESL-MUUNZHRXSA-N 439.280 4.077 5 20 IIBD O=C([C@H]1C[C@H]1c1ccccc1OC(F)F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464644991 UPXGWRQVEDVRDR-OALUTQOASA-N 432.423 4.370 5 20 IIBD O=C1CCC(=O)N1c1ccc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] 469818536 IFIGJFPHCAXNDL-ZCNNSNEGSA-N 447.491 4.047 5 20 IIBD C[C@@H]1CN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C[C@H](C2CC2)O1 470907398 SLRAQGMEXBKUCZ-IFZYUDKTSA-N 429.904 4.427 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(CC(=O)Nc1ccc(F)cc1)C(C)(C)C 475346700 PBNUDUCSKSUCSB-UHFFFAOYSA-N 430.480 4.110 5 20 IIBD Cc1ccc(NC(=O)C(=O)NCc2nc(-c3cc4ccccc4o3)cs2)cc1[N+](=O)[O-] 477606372 XLEUQBBFKDOZFY-UHFFFAOYSA-N 436.449 4.028 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 477996023 LYMXZHDTIPFIDW-UHFFFAOYSA-N 435.867 4.117 5 20 IIBD COc1cc(C(=O)Nc2nc3cc(F)c(Br)cc3s2)ccc1[N+](=O)[O-] 481276219 POOXYWPGAZXFGM-UHFFFAOYSA-N 426.223 4.367 5 20 IIBD COC(=O)c1csc(-c2cccc(CNC(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)c2)n1 484792756 YULSVYRNYVGTFC-UHFFFAOYSA-N 440.481 4.443 5 20 IIBD C[C@H](c1ccccc1)N(C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCC1 485464776 IRPBDHAKOJVQFF-OAHLLOKOSA-N 427.526 4.318 5 20 IIBD Cc1csc([C@H]2COCCN2C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])n1 485712773 NJZGFWVYXORHMM-HXUWFJFHSA-N 439.493 4.152 5 20 IIBD CNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)nc1 485907467 OYRMJAYVSSRVCO-UHFFFAOYSA-N 442.884 4.406 5 20 IIBD O=C(NCCCc1nnc2ccccn12)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 486162537 FKYAUOMANFVMAP-UHFFFAOYSA-N 433.493 4.151 5 20 IIBD COc1cc(C(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)cc([N+](=O)[O-])c1OC 487152163 KHBHQTLHZQGJGP-UHFFFAOYSA-N 431.351 4.330 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1[N+](=O)[O-] 488030885 BZEANZMWUGHXHU-MRXNPFEDSA-N 439.493 4.195 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1ccc(OC[C@H]2CCCO2)cc1 488337453 JHMDSECPFHYCKR-GOSISDBHSA-N 439.390 4.493 5 20 IIBD O=C(Nc1cccnc1-n1cncn1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 495499306 GHUGDWJNZHYWMA-UHFFFAOYSA-N 449.858 4.088 5 20 IIBD CC(C)N1CCN(c2ccc(C(=O)N3CCS[C@H]3c3ccc([N+](=O)[O-])cc3)cc2)CC1 498152405 ISNMJLOHEMMLOY-QHCPKHFHSA-N 440.569 4.013 5 20 IIBD CN(C)c1ncc(Br)cc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 499194538 RRZUQIUNPMJKBM-UHFFFAOYSA-N 448.302 4.194 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CSc2ccc(Br)cc21 503538395 XDLXYVWSQIQTES-OAHLLOKOSA-N 436.331 4.388 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N(CCO)Cc1ccc(Cl)c(Cl)c1 504064279 SBFOUQLTAKXDOT-UHFFFAOYSA-N 448.100 4.299 5 20 IIBD O=C(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)NCc1cccc(COCc2ccco2)c1 504510821 ZZDVIZHQZBUBCF-UHFFFAOYSA-N 446.463 4.085 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCN([C@@H](C)c2ccccc2F)C1=O 505429195 QEDIDILAAONKQN-AVYPCKFXSA-N 445.516 4.083 5 20 IIBD COc1cc(C(=O)N(C)CC2CCN(C)CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 505766064 LBCHEMAGZALAHI-UHFFFAOYSA-N 447.919 4.463 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NC[C@@H](C)N(C)c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 507052119 LWDMYPZXMLKAJN-QZTJIDSGSA-N 433.512 4.418 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N(C1CC1)[C@H]1CCc2ccccc21 508975146 BFSQAPCBMHBZGT-SFHVURJKSA-N 448.260 4.492 5 20 IIBD Cc1cc(Br)ccc1N(C)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 510041900 LLYHPUIYBQRDHG-UHFFFAOYSA-N 448.273 4.017 5 20 IIBD COc1ccccc1-c1noc(-c2cc([N+](=O)[O-])cc(I)c2C)n1 511220851 HIWCSSILOVYEOJ-UHFFFAOYSA-N 437.193 4.233 5 20 IIBD CCOC(=O)C1CCC(N(CC)C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)CC1 511934410 KEZXYUDZNUBPHA-ZJRDLVKKSA-N 445.560 4.415 5 20 IIBD CCNc1ccc(C(=O)N(Cc2ccc(OC(F)F)c(OC)c2)C2CC2)cc1[N+](=O)[O-] 512434548 YRZLOYGALBCHEQ-UHFFFAOYSA-N 435.427 4.441 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCN([C@@H](C)c4cccnc4)CC3)c([N+](=O)[O-])c2)cc1 513758319 ACUHBIBMZSMMJF-IBGZPJMESA-N 445.523 4.434 5 20 IIBD O=C(Nc1cc2ccc(Br)cn2n1)c1ccc2[nH]c3ccccc3c(=O)c2c1 513760977 LGHNORLSJPHDEU-UHFFFAOYSA-N 433.265 4.344 5 20 IIBD COc1ccc(Cc2noc([C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)c(F)c1 516813226 FWXMFDRIIGZUAL-LJQANCHMSA-N 440.431 4.002 5 20 IIBD CC(C)[C@H](NC(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 517399996 GWRBHDZFTHXDOR-SFHVURJKSA-N 438.311 4.074 5 20 IIBD O=C(CSc1nccn1-c1ccc(C(F)(F)F)cc1)N1CCc2ccc([N+](=O)[O-])cc21 517658426 JKDJWAOLSZILTK-UHFFFAOYSA-N 448.426 4.481 5 20 IIBD Cn1cc([N+](=O)[O-])cc1C(=O)N(CC(=O)Nc1ccccc1F)Cc1ccc(Cl)cc1 518277244 RNDFGMNTOKMQCX-UHFFFAOYSA-N 444.850 4.007 5 20 IIBD COc1ccc(CNC(=O)C(=O)Nc2cccc(-c3cccc(Cl)c3)c2)cc1[N+](=O)[O-] 520552701 QGDBLKSXRMXINB-UHFFFAOYSA-N 439.855 4.179 5 20 IIBD CN(Cc1ccccc1)c1ccccc1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 521336715 WYBLCEGISPLEBQ-UHFFFAOYSA-N 428.452 4.064 5 20 IIBD CC(=O)N(c1ccc(C)cc1)c1nc(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)cs1 524029369 PZDBRKMZOQLSOD-UHFFFAOYSA-N 434.481 4.351 5 20 IIBD COc1cccc(NC2CCN(C(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 525289559 IKLSWAJNJOOUHO-CQSZACIVSA-N 433.892 4.127 5 20 IIBD COc1cc(C(=O)N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)cc([N+](=O)[O-])c1OC 525536017 CYFZMAZLVGMKHT-NSHDSACASA-N 428.363 4.044 5 20 IIBD COc1ccnc(N(C)C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)n1 532411935 SZUSMANPOSFJSV-UHFFFAOYSA-N 444.831 4.124 5 20 IIBD CN(Cc1ccon1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 532570786 BIHGSNAMONHMHA-SFHVURJKSA-N 445.273 4.157 5 20 IIBD COc1ccc(Br)cc1CN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl 532976076 BKIZDCLVOQIWFM-UHFFFAOYSA-N 427.682 4.220 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 534645793 UDRDDAOMOLYLOU-MRXNPFEDSA-N 429.860 4.469 5 20 IIBD CC[C@H](NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@@H](c1ccc(C)cc1)n1cncn1 535172821 IXTSOOIAKAEUBS-RBDMOPTHSA-N 436.516 4.232 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc(Br)c2ccccc12 538069837 RSUYVYKTSAHIGO-UHFFFAOYSA-N 442.225 4.057 5 20 IIBD Cc1cc(F)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c(I)c1 538904439 LHPKVOSHIIDAIE-UHFFFAOYSA-N 448.619 4.482 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccc(Sc2ccc(F)cc2)cc1 539188469 KKGNBVUJLDVAAQ-UHFFFAOYSA-N 439.468 4.448 5 20 IIBD CN(C(=O)CCCc1nc(C(C)(C)C)no1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 539355137 IEBOQPOTKQATKG-UHFFFAOYSA-N 429.502 4.385 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccc(CN2CCCCC2=O)c1 541262940 YUZHBWRSSLNEFD-UHFFFAOYSA-N 433.917 4.492 5 20 IIBD COC[C@@H](N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccco1 541627253 PMKIKNKHFOWBBE-UYAOXDASSA-N 429.860 4.498 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)NCc1cccc(NC(=O)C2CCCCC2)c1 543193708 MRSZIJGTAGMSLB-UHFFFAOYSA-N 440.500 4.122 5 20 IIBD COc1ccc(C2(CNc3ncc([N+](=O)[O-])c(C)c3Br)CCOCC2)cc1 543450894 FCSGLYDMWHPISM-UHFFFAOYSA-N 436.306 4.230 5 20 IIBD Cn1cnnc1Sc1ccc(-c2nc(Cc3cccc4cccnc34)no2)cc1[N+](=O)[O-] 545600562 LVCBXRYMKVFHFP-UHFFFAOYSA-N 445.464 4.064 5 20 IIBD COCc1ccc(-c2noc(-c3cc(I)cc([N+](=O)[O-])c3)n2)cc1 545636487 JSAXJWKBFRNCSO-UHFFFAOYSA-N 437.193 4.063 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1 545959967 GUWSLJZNPXXMSJ-KRWDZBQOSA-N 425.485 4.101 5 20 IIBD CN(CCCCCc1cc(-c2ccccc2)no1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] 546071719 YUOPYDUQJXYJAX-UHFFFAOYSA-N 443.525 4.424 5 20 IIBD COc1ccccc1-n1c(C)nnc1SCc1nc(-c2ccc([N+](=O)[O-])cc2C)no1 547101546 RPVJYMKAJNJMHG-UHFFFAOYSA-N 438.469 4.143 5 20 IIBD CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 550316172 CIGUYUHIQUHQSZ-DOTOQJQBSA-N 436.434 4.290 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3nncn3-c3ccccc3)cc2[N+](=O)[O-])n1 557064418 CZDLNZFDEFEBJV-UHFFFAOYSA-N 438.494 4.344 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 557221555 POQLIHJWDCCYQH-GFCCVEGCSA-N 442.463 4.479 5 20 IIBD Cc1cc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c2cc(Br)cc(F)c2n1 562324083 BSSRHCGWYKJNEM-UHFFFAOYSA-N 434.269 4.391 5 20 IIBD O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1cnn(-c2ccc(C(F)(F)F)cc2)c1 567423392 MYTBRROPXLJPFS-UHFFFAOYSA-N 442.357 4.237 5 20 IIBD CC(C)NC(=O)c1ccc(N[C@H](C)[C@H](OC2CCOCC2)c2ccccc2)c([N+](=O)[O-])c1 569045901 GRYJFTSVKPOQDG-HXOBKFHXSA-N 441.528 4.470 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc(-n2nccc2C(F)(F)F)cc1 571829674 YACTVYHLGGBFTA-UHFFFAOYSA-N 429.358 4.393 5 20 IIBD COc1cccc(Oc2ccc(CNC(=O)CSc3ccccc3[N+](=O)[O-])cn2)c1 574296756 SNUPEDMAPDWAKP-UHFFFAOYSA-N 425.466 4.199 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 574800459 SCPSJGMHZRPDBF-UHFFFAOYSA-N 437.353 4.303 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCCN4c5ccccc5C[C@@H]4C3)cc2[N+](=O)[O-])CC1 579046814 BXCIPSWZQMENRA-OAQYLSRUSA-N 434.540 4.108 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCCN2c3ccccc3C[C@@H]2C1 584045888 LDQZRTCROXRGIM-CYBMUJFWSA-N 428.361 4.285 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])NC1(Cc2ccc(F)cc2Cl)CCOCC1 590522223 SQISVOXCXAXGRU-UHFFFAOYSA-N 436.867 4.064 5 20 IIBD O=C(Cc1csc(Cc2cccc(Cl)c2)n1)NCCNc1ccccc1[N+](=O)[O-] 603616404 HFDUQPULDOAZMJ-UHFFFAOYSA-N 430.917 4.066 5 20 IIBD COc1cccc(OC)c1Oc1ccc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1 604175464 GNHZTSQXUQXVMS-UHFFFAOYSA-N 443.843 4.383 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1C[C@@H]1c1cccc(Br)c1 608809418 HOGKZGWMRIFFID-VQISRLSMSA-N 439.693 4.450 5 20 IIBD Cc1ccc(NC(=O)NCc2ccccc2NS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 608840293 NIPVQSPULSZITQ-UHFFFAOYSA-N 440.481 4.026 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](c1ccccc1)c1cc2ccccc2o1 608875154 KHUOTXPXYQFZBK-WAIKUNEKSA-N 443.459 4.365 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1 609027460 QWISGTIEQQDJRU-UHFFFAOYSA-N 441.181 4.057 5 20 IIBD CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 609500923 QIINYKQYJCETDG-CQSZACIVSA-N 442.324 4.226 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N(c3ccccc3)C3CCN(C)CC3)cc2)c(C)c1[N+](=O)[O-] 609566278 LMTWDMBVOOZUNP-UHFFFAOYSA-N 447.539 4.197 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 609646664 GTROYVYSFDQGGW-UKRRQHHQSA-N 439.459 4.489 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CN(C)Cc1ccc(Cl)cc1[N+](=O)[O-] 609704796 LPUKUSCUUMLUNE-UHFFFAOYSA-N 426.698 4.390 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCC2(c3cccc(Cl)c3)CC2)ccc1[N+](=O)[O-] 610050569 BLOSMXZFOKNUAE-FQEVSTJZSA-N 441.915 4.009 5 20 IIBD CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCc1ccc(NC(=O)c2cccnc2)cc1 610131025 QIBHBIARKMRHOM-UHFFFAOYSA-N 438.415 4.170 5 20 IIBD Cc1[nH]ccc(=NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c1Cl 611714430 VEXRGWAMBGLRJA-UHFFFAOYSA-N 447.882 4.407 5 20 IIBD CC(C)c1ccc(C(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)cc1[N+](=O)[O-] 615189090 BQXWGWGTSRIJJQ-UHFFFAOYSA-N 431.492 4.470 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NC[C@H](c3ccnn3C)C(C)C)cc2[N+](=O)[O-])n1 616014408 DDJIHYKZRJHVKQ-HNNXBMFYSA-N 445.570 4.414 5 20 IIBD Cc1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc(C(F)(F)F)c1 617127023 JDRFQAUYBYBFOQ-CYBMUJFWSA-N 427.404 4.227 5 20 IIBD COc1ccc(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(Br)c1 725972985 ZVYCZUMWAZBPDC-JTQLQIEISA-N 448.229 4.334 5 20 IIBD Cc1csc(-c2cccc(OC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)c2)n1 726367842 NPWFRAGEDQXVFD-UHFFFAOYSA-N 439.449 4.320 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(N3CCC[C@H](c4nc(-c5ccc(F)cc5)no4)C3)cc2N1 726594886 ONBBSDSPWRURHB-HNNXBMFYSA-N 437.431 4.053 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1I)C(C)(C)c1ccccc1 728002365 RZYQIDCCNNPZJU-LBPRGKRZSA-N 438.265 4.296 5 20 IIBD O=C(COC(=O)c1sccc1OC(F)F)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 729774869 MONWLGWSTUEBLT-UHFFFAOYSA-N 440.302 4.072 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCc1nnc(-c2cccc(Cl)c2)o1 730303201 NNFPJLDFTMBZHZ-SNVBAGLBSA-N 438.223 4.462 5 20 IIBD O=C(N[C@@H]1CCN(C2CC2)C1)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 730773944 MUWUMPGYSYEHSQ-OAQYLSRUSA-N 448.567 4.020 5 20 IIBD O=C(NC[C@H]1CCCN(c2nc3ccc([N+](=O)[O-])cc3s2)C1)Nc1cccc(F)c1 731210338 WCTPQMDCAQOAPF-CYBMUJFWSA-N 429.477 4.382 5 20 IIBD Cc1ccc([C@H](CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])N2CCCC2)cc1 732003837 LNHGLCOGVHKKNN-IBGZPJMESA-N 439.484 4.149 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)Nc1cccc(Cl)c1 740409599 GAUFILUPGYNHIZ-VIFPVBQESA-N 427.638 4.195 5 20 IIBD C[C@H](OC(=O)c1nccc2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 743197146 FFLCGYKRMACOGX-NSHDSACASA-N 433.342 4.346 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(Cn3nc(CCc4ccccc4)oc3=S)CC2)cc1 743391394 SUCXTOWTORDZGJ-UHFFFAOYSA-N 440.525 4.400 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(OCc2ccccn2)c(Cl)c1 743695278 FWEYEBBBIUIQMK-UHFFFAOYSA-N 437.843 4.211 5 20 IIBD C[C@H](OC(=O)c1ccc(OC2CCOCC2)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 745250396 PKVUEEVZQYWFRB-AWEZNQCLSA-N 439.424 4.121 5 20 IIBD C[C@H](OC(=O)c1cc2cc(C(F)(F)F)ccc2n1C)C(=O)Nc1ccccc1[N+](=O)[O-] 745629347 DFTBBJNDSPNVME-NSHDSACASA-N 435.358 4.289 5 20 IIBD C[C@@H]1[C@@H](C(F)(F)F)OC(=O)N1c1ncccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 746485791 UZHNXFOATWHTFD-OQPBUACISA-N 444.753 4.172 5 20 IIBD O=C(NCCc1ccc(Br)cc1F)N(Cc1ccccc1[N+](=O)[O-])C1CC1 747403428 QSUQIEUOCGSCOG-UHFFFAOYSA-N 436.281 4.413 5 20 IIBD COCCOc1ccc(Cl)cc1C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 748933396 DVHNRZGBNZUQFY-LBPRGKRZSA-N 447.831 4.241 5 20 IIBD CCCn1c(SC[C@H](O)c2cccc([N+](=O)[O-])c2)nc2sc3c(c2c1=O)CCC3 749641986 VWRULJYFBKMWRY-HNNXBMFYSA-N 431.539 4.091 5 20 IIBD O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1C[C@H](O)c1cccc([N+](=O)[O-])c1 749663168 NSNXBRJOAGTBBS-KRWDZBQOSA-N 427.869 4.420 5 20 IIBD CCCNC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 750825887 MYSAZLZIOWYLKS-UHFFFAOYSA-N 440.681 4.403 5 20 IIBD C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br 755023172 ZRGATFBZMCEIEE-ZHZWEUQESA-N 443.294 4.067 5 20 IIBD C[C@@H](CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nccs1 756687405 WDNXYFBWXPLYHC-LBPRGKRZSA-N 444.900 4.491 5 20 IIBD Cc1nnc([C@@H](C)N[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)s1 759887604 XDNMGEDVXCAYQH-PIGZYNQJSA-N 431.905 4.439 5 20 IIBD Cc1ccc(-c2nc(CC(=O)O[C@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)cs2)cc1 759929797 ISMDDZQQWGYRKX-ROUUACIJSA-N 426.498 4.493 5 20 IIBD CC[C@@H](C)n1ncc(C(=O)OC[C@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])c1C1CC1 760987907 SWTROMOBWSGKMI-NVXWUHKLSA-N 440.500 4.101 5 20 IIBD O=C(Nc1ccc(CC[C@@H](O)c2ccccc2)cc1)c1cc([N+](=O)[O-])cc2c1OCCO2 763003204 PVTSZDFXWZBPBQ-OAQYLSRUSA-N 434.448 4.285 5 20 IIBD CCOC(=O)c1c(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)sc2c1CCSC2 763383089 URGOYKWBQUAJRF-UHFFFAOYSA-N 428.438 4.153 5 20 IIBD Cc1cc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)n([C@H]2CCN(Cc3ccccc3)C2)n1 763522092 MROQENAFHNQUJP-INIZCTEOSA-N 441.438 4.077 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)c1nnc(-c2cccs2)o1 763809789 HFPXZEUBCWJEOU-LLVKDONJSA-N 435.483 4.363 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCN(C)CC2)c(Cl)c1 764070152 RHOUYSWAXFIJCR-UHFFFAOYSA-N 434.949 4.364 5 20 IIBD O=C1c2ccccc2N[C@@H](c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N1c1ccc2c(c1)OCCO2 765983273 RUDTXONSXJPZDT-OAQYLSRUSA-N 448.391 4.045 5 20 IIBD COc1cccc(C(=O)N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)c1[N+](=O)[O-] 766633110 OTFNYJGVJMBSFC-UHFFFAOYSA-N 441.484 4.221 5 20 IIBD CNC(=O)c1cc(Oc2cccc(OC(=O)c3c(Cl)cccc3[N+](=O)[O-])c2)ccn1 766721370 TUQUJHUSSBWGBA-UHFFFAOYSA-N 427.800 4.014 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1cccc(-n2ncc(C(=O)O)c2C(F)(F)F)c1 767115565 JEYZBNQYIPJFOT-TWGQIWQCSA-N 446.341 4.149 5 20 IIBD O=C(OCCCSc1ccccc1Cl)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 769667243 DASJXBPLPXLLFI-UHFFFAOYSA-N 448.884 4.241 5 20 IIBD CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)N2C(=O)CSc1ccc([N+](=O)[O-])cc1 769676781 LBJXSHZQFIZUPC-ZXFUBFMLSA-N 435.546 4.124 5 20 IIBD CC1CCN(c2ccc(C(=O)OC3CCN(CC(F)(F)F)CC3)cc2[N+](=O)[O-])CC1 770141929 QXMHIYREYPSCED-UHFFFAOYSA-N 429.439 4.015 5 20 IIBD CN(CCC1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1)C(=O)OC(C)(C)C 770197758 KDKCKAXUZUWKRS-UHFFFAOYSA-N 433.549 4.368 5 20 IIBD COc1ccc(-c2ccc(CN3CCOC[C@@H]3C[C@@H](O)c3ccccc3)o2)c([N+](=O)[O-])c1 770352824 MALCXDCJTIARBU-FDDCHVKYSA-N 438.480 4.188 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCCC[C@H]1c1ccc(F)cc1F 770692201 FZPPVJKPKCFFFW-NRFANRHFSA-N 431.439 4.077 5 20 IIBD COc1ccc(Br)cc1C(=O)CCC(=O)Oc1cc(F)cc([N+](=O)[O-])c1 771643422 IAQUDZMOHKCYQQ-UHFFFAOYSA-N 426.194 4.074 5 20 IIBD Cc1cnccc1OC1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 772346874 RNAWIVZPXOBXTK-UHFFFAOYSA-N 435.278 4.136 5 20 IIBD O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)c1cccc(Oc2cnccn2)c1 773424853 KEYUMOMZRFHMDR-UHFFFAOYSA-N 430.214 4.297 5 20 IIBD Cc1cnc(Br)cc1NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 776053331 PXLQABBNYZVWRD-UHFFFAOYSA-N 435.278 4.136 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)cc1[N+](=O)[O-] 776255036 ACYJCABVGRDHME-UHFFFAOYSA-N 437.796 4.375 5 20 IIBD CCc1cc(C(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)cc(O)n1 778225982 CSVYLAHHLOSGAT-UHFFFAOYSA-N 441.827 4.383 5 20 IIBD CCCCCCN(CCN1CCOCC1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 780464532 CLIDLADBMNSJEO-UHFFFAOYSA-N 435.568 4.036 5 20 IIBD O=C(OCC(=O)N(C1CCCC1)C1CC1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781258543 UPTCCPQLSXTCJN-UHFFFAOYSA-N 440.446 4.050 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)c1ccc(Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 782957315 ZUITYAGRILXQJK-LLVKDONJSA-N 441.531 4.389 5 20 IIBD CC(C)c1ccc(C(=O)OC[C@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] 784505682 LFTYZNHHBYPTPL-MRXNPFEDSA-N 441.440 4.088 5 20 IIBD C[C@@H](OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(=O)c1ccccc1C(F)(F)F 785676360 SKEVRUYRHDASJN-GFCCVEGCSA-N 433.342 4.228 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc(C(F)(F)F)cnc2Cl)cccc1[N+](=O)[O-] 789012456 JZCQILXJHMQZLH-SECBINFHSA-N 431.754 4.154 5 20 IIBD CCc1c(C(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)cnn1C(CC)CC 791792967 DXKBUUOXNCOKBM-UHFFFAOYSA-N 429.521 4.183 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2 792197172 ZAISAUNCKHTEEF-UHFFFAOYSA-N 448.520 4.248 5 20 IIBD Cc1ccc(C)c(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c1 792472475 AAVNISUNAFVNTK-CYBMUJFWSA-N 435.274 4.467 5 20 IIBD Cc1cc(OCc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)c(Cl)cc1[N+](=O)[O-] 795257864 XIOCFHXLGYPKIL-UHFFFAOYSA-N 426.857 4.278 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)O[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl 795716442 FHLQNJCXAPXIHC-JTQLQIEISA-N 427.240 4.484 5 20 IIBD C[C@H](Oc1ccc2ccccc2c1)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 795725662 SLBBMIVYMYHBKG-ZDUSSCGKSA-N 428.828 4.351 5 20 IIBD C[C@@H](Cc1noc(-c2cc([N+](=O)[O-])ccc2N2CCCCC2)n1)N(C)C(=O)OC(C)(C)C 795758631 KBVZONYDJBXAEQ-HNNXBMFYSA-N 445.520 4.433 5 20 IIBD COc1cc(-c2nc(COC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])cs2)ccc1O 796445653 OPNUVMVXRWTPCQ-UHFFFAOYSA-N 428.466 4.454 5 20 IIBD CN(C(=O)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 796899852 FIJLKFKUHJBDPX-MRXNPFEDSA-N 446.529 4.327 5 20 IIBD C[C@@H](OC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])c1nc2ccccc2o1 797223397 RKDNJQPJHMYBLM-LLVKDONJSA-N 434.246 4.239 5 20 IIBD Cc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc1I 798524271 YJHRHTPVXSOTQE-UHFFFAOYSA-N 430.629 4.091 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)Nc1c(F)ccc([N+](=O)[O-])c1C 800151121 FRFMHAHGHHZORK-CQSZACIVSA-N 449.504 4.166 5 20 IIBD COc1ccc(CN(CC2CCC2)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)c(OC)c1 800855634 KERFHVVUGDFXLC-UHFFFAOYSA-N 437.500 4.130 5 20 IIBD O=C(COC(=O)c1cc(F)c(C(F)(F)F)cc1F)Nc1cc(Cl)ccc1[N+](=O)[O-] 805593865 FQDVEUPIXKOODL-UHFFFAOYSA-N 438.692 4.341 5 20 IIBD CCOc1cc(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])c([N+](=O)[O-])cc1OCC 806173523 CICNTVZJJBJYGC-UHFFFAOYSA-N 432.433 4.007 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1Sc1nnc(CSc2nc3ccccc3s2)n1C 807922093 JQGOXPFUEYWOJT-UHFFFAOYSA-N 447.571 4.301 5 20 IIBD COc1ccc(-c2ocnc2C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 808645927 XNLUIBXVLUMVEU-LBPRGKRZSA-N 436.380 4.226 5 20 IIBD C[C@@H](OC(=O)CSc1ccccc1[N+](=O)[O-])c1ccc(SCC(=O)N(C)C)cc1 809320269 XYNMSZFUUAXZKY-CQSZACIVSA-N 434.539 4.172 5 20 IIBD COc1cccc([C@H]2CCCN2S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)c1 809389222 VWTAQRZNSBPEPB-CQSZACIVSA-N 431.297 4.436 5 20 IIBD Cc1csc(Nc2ccc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])cc2)n1 811320281 MKQAGWXCWDYMPU-ZDUSSCGKSA-N 426.454 4.287 5 20 IIBD C[C@@H](OC(=O)c1cccc(F)c1Br)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 814506057 FBJBXLHCYHYXPK-MRVPVSSYSA-N 445.628 4.334 5 20 IIBD CC(=O)N1CCc2ccccc2[C@H]1CC(=O)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F 815175069 ASACSRDWEVMVSU-LJQANCHMSA-N 436.386 4.193 5 20 IIBD C[C@H](OC(=O)c1ccc(OC(F)F)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 815485208 QTMKVPBWZJSDPZ-QMMMGPOBSA-N 432.738 4.173 5 20 IIBD COc1ccc(NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1-n1nnnc1C1CC1 864030656 NXDFBKPSCIWZEQ-UHFFFAOYSA-N 434.378 4.087 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 864244718 KPCTWLFIQXVFRW-DHZHZOJOSA-N 437.412 4.003 5 20 IIBD O=[N+]([O-])c1ccccc1-n1ccc(-c2nc(-c3cccc(CN4CCCCC4)c3)no2)n1 904434228 YHHWTJKBDOVTJF-UHFFFAOYSA-N 430.468 4.483 5 20 IIBD C[C@H](OC(=O)c1ccc(N2CCCCCC2)nc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 914680930 ZPHWLFWKUNOIKL-HNNXBMFYSA-N 437.456 4.338 5 20 IIBD CCN(CC)C(=O)COc1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1Cl 914734469 BXYIRGSBRKNMED-UHFFFAOYSA-N 440.283 4.401 5 20 IIBD CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cc1 916072207 ZZJYWSQSLPZOFB-OAHLLOKOSA-N 427.505 4.026 5 20 IIBD O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 917998664 NVVSHRXQDKJXDZ-UHFFFAOYSA-N 449.492 4.289 5 20 IIBD O=C(Nc1ccccc1)Nc1cccc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 918399093 JZZWJYGOMRRAIK-UHFFFAOYSA-N 430.417 4.179 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1ccccc1SCc1ccccc1 918441416 ZGEUFVFLCACUCV-UHFFFAOYSA-N 435.505 4.484 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)CCc1nc(-c2ccc(C)c(F)c2)no1 918538614 NXJFBUCRVOBUJM-UHFFFAOYSA-N 429.404 4.167 5 20 IIBD CCc1ccc(-c2nc(C(=O)O[C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)cs2)cc1 1318354199 UAVOQBIVGUXMEP-IBGZPJMESA-N 437.477 4.243 5 20 IIBD O=C([C@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1)N1Cc2ccc([N+](=O)[O-])cc2C1 1319208968 PXJAKVUYNFARKU-VWMRQFFHSA-N 439.899 4.185 5 20 IIBD O=C1CCc2cc(-c3csc(NC(=O)N4Cc5ccc([N+](=O)[O-])cc5C4)n3)ccc2N1 1322122954 KIEHDPZXONBRDS-UHFFFAOYSA-N 435.465 4.151 5 20 IIBD CC(C)N(CCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1I 1325336630 BJTUOARUKLMOOS-UHFFFAOYSA-N 438.265 4.293 5 20 IIBD COc1ccc(Br)c(-c2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)o2)c1 1325780861 YRPGKXCTTLCVBF-UHFFFAOYSA-N 435.190 4.300 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)OCC(=O)N(CC(F)(F)F)c2ccc(Cl)cc2)c1F 1341065563 OXBNSUHTOMBQCH-UHFFFAOYSA-N 448.756 4.448 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(-c3ccc(Cn4nnc(-c5ccccc5)n4)cc3)o2)c1 1345603297 WUIKATUVKVIBGZ-UHFFFAOYSA-N 425.408 4.014 5 20 IIBD O=C(/C=C/c1ccccc1)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1 1787780335 KOTXULZGVHKEGV-VGOFMYFVSA-N 430.464 4.384 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ncccc4C)CCC3)cc2)ncc1[N+](=O)[O-] 1788764211 BPQVQRJWUDUDHM-UHFFFAOYSA-N 445.479 4.063 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(O)c([N+](=O)[O-])c4)CCC3)cc2)cn1C 1788796358 ASDGBALCESOLQV-UHFFFAOYSA-N 448.479 4.009 5 20 IIBD CC(C)[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])o1)c1ccc(F)cc1 1792401940 WSIUFPVHTCZDNM-NYUBLWNDSA-N 443.475 4.019 5 20 IIBD CC(C)(C)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2cccc([N+](=O)[O-])c2)CCC1 1800040214 RTCGFSOOGKGWGW-REPLKXPHSA-N 427.545 4.091 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cc([C@H]2CCCCN2C(=O)CC2CCC2)[nH]n1 1815538574 ADBSJMZKCHGKKX-HXUWFJFHSA-N 439.516 4.133 5 20 IIBD CC(C)=CCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)CC2 1822734754 RSHBRAHOXWGCMS-OAHLLOKOSA-N 446.504 4.163 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)OCc2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] 9947917 BNSHUNBABPGCDJ-UHFFFAOYSA-N 449.419 4.157 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 15798271 UCQYIROUXRHYQN-JTQLQIEISA-N 427.240 4.403 5 20 IIBD Cc1ccccc1CCNC(=O)[C@@H](C)Sc1nc2cc3ccccc3cc2c(=O)n1C 26580928 JHJHGLQJOSVKLE-QGZVFWFLSA-N 431.561 4.235 5 20 IIBD Cc1nnc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1Cc1ccccc1 28609142 AHTMQZLXSCERSP-GFCCVEGCSA-N 431.905 4.316 5 20 IIBD O=C(Nc1ccc(OC(F)F)cc1)c1cc([N+](=O)[O-])ccc1I 31678787 JKEVWQJLQBGVIU-UHFFFAOYSA-N 434.136 4.053 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@H](c3ccccc3)c3ccccn3)cc2)c(C)c1[N+](=O)[O-] 45950183 SQGHSUMSCSWRNE-HSZRJFAPSA-N 441.491 4.371 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2c(-c3ccccc3)nc3ccccn23)cc([N+](=O)[O-])c1 61056522 KRFDKEMPIODZAA-UHFFFAOYSA-N 430.420 4.339 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@H]2CCN(c3ccccc3)C2)cc1[N+](=O)[O-])c1ccccn1 64877251 GZKTWGOSCBAGEX-RBUKOAKNSA-N 445.523 4.419 5 20 IIBD COc1ccc(CNc2ccc(CCn3cc(Br)cn3)cc2)cc1[N+](=O)[O-] 237395548 KZAFYUWBLPZGGV-UHFFFAOYSA-N 431.290 4.417 5 20 IIBD C[C@@H]1C[C@@H](C)CN(Cc2ccccc2CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 301069650 DCJPTYGFQCFOLT-IAGOWNOFSA-N 431.558 4.088 5 20 IIBD CCOc1cccc(NCc2ccc(Br)cc2N2CCOCC2)c1[N+](=O)[O-] 302175486 WATUNPZDZSFCGN-UHFFFAOYSA-N 436.306 4.205 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC[C@H](c3nnc4n3CCCCC4)C2)nc1OCc1ccccc1 302180566 QLDJGYHPFFQRCG-IBGZPJMESA-N 448.527 4.271 5 20 IIBD O=C(Nc1cccc(Cl)c1N1CCOCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 303013706 KCTSNXNQMFSOLA-UHFFFAOYSA-N 444.900 4.461 5 20 IIBD Cc1ccc(NCCCNC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)c([N+](=O)[O-])c1 303786138 JEDIDRPZOXGAIM-UHFFFAOYSA-N 436.468 4.289 5 20 IIBD CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H](c1cccc(F)c1)c1cnn(C)c1 429782788 WMMMFNCIHVTOIV-GOSISDBHSA-N 447.264 4.092 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)CCC1CCN(C2CCN(C)CC2)CC1 430913838 YPBHMVBNZRQGBM-UHFFFAOYSA-N 432.609 4.010 5 20 IIBD CC(C)(C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccccc1[N+](=O)[O-] 431670373 ODVBUIMABBWVBU-UHFFFAOYSA-N 439.493 4.312 5 20 IIBD CC(C)c1[nH]nc(C(=O)NCc2ccccc2-c2ccc(Cn3cccn3)cc2)c1[N+](=O)[O-] 433941122 ONMIXHNLVMCNFT-UHFFFAOYSA-N 444.495 4.283 5 20 IIBD CN(C)[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)C1CCCCC1 436110884 XUHIAUUWWYTGMJ-FQEVSTJZSA-N 427.495 4.200 5 20 IIBD CCCCNC(=O)c1ccc(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 436117356 ZWQMGCMBGLSXDU-UHFFFAOYSA-N 427.504 4.141 5 20 IIBD CCCCOc1ccc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(C)c1 437040211 SQTYAVCIYILSCU-UHFFFAOYSA-N 425.485 4.212 5 20 IIBD COc1cc(CCNC(=O)c2ccc(Cl)c(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC 437144104 ORYAPKCBTFRCSV-UHFFFAOYSA-N 432.782 4.257 5 20 IIBD CCCS(=O)(=O)Nc1cccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 438313583 MPEZIGWVNPGDIS-UHFFFAOYSA-N 434.518 4.189 5 20 IIBD CC1(C)CCCCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 438383563 ZPDIVQHLYMREOB-UHFFFAOYSA-N 431.514 4.048 5 20 IIBD CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 440537648 PVTSPOCAIXKODD-IEBWSBKVSA-N 445.947 4.386 5 20 IIBD Cc1nc2ccccc2c2c(NC(=O)c3cn(Cc4ccccn4)nn3)c3ccccc3n12 443804539 RGDIGPRMYJFUCU-UHFFFAOYSA-N 433.475 4.236 5 20 IIBD CC(=O)c1ccc2c(c1)CCN(C(=O)c1cc(F)cc3c(=O)c4cccc(F)c4[nH]c13)CC2 444238228 OQQRNUOLYPJEKD-UHFFFAOYSA-N 446.453 4.403 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC(OCc2ccccc2)CC1 445716609 SOLVVMSGVYLBIZ-UHFFFAOYSA-N 433.302 4.108 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc(-c2ccc(F)cc2F)nn1C 447650317 RIIZPKMMJALHOH-JTQLQIEISA-N 436.802 4.333 5 20 IIBD CC(=O)N1CCN(c2ccccc2CNc2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)CC1 461787650 VHPILMCCERKOQP-UHFFFAOYSA-N 436.434 4.203 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 462484262 QURJCGWLGWDCFC-HNNXBMFYSA-N 428.876 4.226 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1 463966096 SJANNMOZZZAPCR-HNNXBMFYSA-N 441.406 4.083 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H](CO)Cc1ccccc1C(F)(F)F 463973787 USOTXKKTUSKTAE-CQSZACIVSA-N 425.407 4.203 5 20 IIBD Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1 464039758 MGCKOGYRBQHYED-VQTJNVASSA-N 437.496 4.386 5 20 IIBD O=C(c1c[nH]nc1-c1ccc(Cl)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464663281 VZLFRBPSUTUTRR-UHFFFAOYSA-N 426.860 4.322 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 464705622 BIFFAQYAPYKEIM-QFIPXVFZSA-N 443.459 4.003 5 20 IIBD NC(=O)c1cc(NC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)c[nH]1 465047615 GFVJMZPWVNUSDK-UHFFFAOYSA-N 439.478 4.035 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1 469565286 MKZPPKTZXAEIQR-INIZCTEOSA-N 426.477 4.244 5 20 IIBD O=C(NCC(=O)N1Cc2ccccc2C1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 477549311 GPZMCAXGVXFHKT-UHFFFAOYSA-N 439.537 4.149 5 20 IIBD COc1cc(OCC(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)ccc1[N+](=O)[O-] 477621607 ZPEFORFUKBBOSE-UHFFFAOYSA-N 436.289 4.241 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@@H](C)c3ccc(Br)cn3)cc2[N+](=O)[O-])CC1 477798718 UVQRJUBEMIPNHJ-AWEZNQCLSA-N 447.333 4.480 5 20 IIBD Cc1cccc(COc2cccc(NC(=O)C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)c2)c1 478547357 HEFJSKZZAYHUAZ-QGZVFWFLSA-N 433.464 4.298 5 20 IIBD CCOc1ccccc1Oc1ccc(CNC(=O)NCc2cccc([N+](=O)[O-])c2C)cn1 478943884 PDWPJYWEHLUVKB-UHFFFAOYSA-N 436.468 4.489 5 20 IIBD Nc1c(C(=O)N2CCC(COc3ccccc3C(F)(F)F)CC2)cc(F)cc1[N+](=O)[O-] 479020748 KOBGBTYRBPHYPF-UHFFFAOYSA-N 441.381 4.266 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1nc2cc(F)c(Br)cc2s1 479129578 ALHQJDUUZUBPKD-UHFFFAOYSA-N 446.279 4.215 5 20 IIBD CSc1ccc(C(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)cc1[N+](=O)[O-] 480408686 GMMUPMWEAUCVKO-RDJZCZTQSA-N 427.309 4.354 5 20 IIBD Cc1ccc([C@H](Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])c2ccccn2)cc1 480576442 JZIYIIVQJSAEFM-QFIPXVFZSA-N 427.464 4.464 5 20 IIBD O=[N+]([O-])c1ccc([C@H]2SCCN2S(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1 480724003 UPQJSPSHHLCEBY-MRXNPFEDSA-N 432.445 4.136 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1cccc(CS(=O)(=O)C2CCCCC2)c1 484539047 BCVHHRNYYQQGAT-UHFFFAOYSA-N 445.541 4.201 5 20 IIBD CCN(CC)CCN(CCC(F)(F)F)C(=O)c1sc(Br)cc1[N+](=O)[O-] 486195463 PSVZPCZHCBUKCI-UHFFFAOYSA-N 446.289 4.155 5 20 IIBD O=C(NCCc1ccc(-n2cccn2)cc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 486355450 SUGFZFKUERRJAC-UHFFFAOYSA-N 442.475 4.332 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc(-n2cccn2)cc1 489900053 NCUBIWRNKCLPNY-HNNXBMFYSA-N 426.498 4.010 5 20 IIBD COc1cc(CN2CCC(Nc3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1OCC(F)F 491084517 HBHZMSCTSMJEKX-UHFFFAOYSA-N 439.434 4.463 5 20 IIBD COc1c(F)cc(S(=O)(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)cc1[N+](=O)[O-] 491187851 OWEJZICYBJYVCB-UHFFFAOYSA-N 448.394 4.115 5 20 IIBD CCOc1ccc(C(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)cc1[N+](=O)[O-] 491207933 MXQTWUOKIIDGAQ-CQSZACIVSA-N 448.317 4.012 5 20 IIBD C[C@H](NCc1cc(I)cc([N+](=O)[O-])c1)[C@H]1OCCc2sccc21 492195437 VWTLMIFEBFREAB-MGPLVRAMSA-N 444.294 4.053 5 20 IIBD CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 492634488 XCYXDDSEQFHMPE-INIZCTEOSA-N 431.455 4.006 5 20 IIBD C[C@H](NC1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCOCC1)c1ccccc1 500690427 STBPECHNRDPVMY-HNNXBMFYSA-N 432.908 4.270 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@H](Oc2ccccc2Cl)C1 503509725 GWRBZRVHCXMGNA-KRWDZBQOSA-N 432.907 4.488 5 20 IIBD CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1nnc2ccc(C(F)(F)F)cn12 504912113 QJHCZGIUIBOZIR-ZDUSSCGKSA-N 425.436 4.317 5 20 IIBD COc1ccc(-c2ccc(CN3CCC(C(=O)N4CCC[C@@H](C)C4)CC3)o2)c([N+](=O)[O-])c1 509533169 PFIWTKHMWWAQED-QGZVFWFLSA-N 441.528 4.334 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 510457934 IEOBRKRIZXTTLZ-SJORKVTESA-N 428.432 4.369 5 20 IIBD O=C(CN[C@@H](CCO)c1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)cc1[N+](=O)[O-] 512209858 CZIUYFQSBBFAKZ-AWEZNQCLSA-N 432.691 4.207 5 20 IIBD Cn1ccnc1[C@H](NCCCC(=O)Nc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 513652463 AOPOVXLGIZMVSZ-HXUWFJFHSA-N 427.892 4.080 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CCC(Oc3ccccc3Cl)CC2)cc([N+](=O)[O-])c1 513878816 UMNLBQKJLKTEJQ-UHFFFAOYSA-N 432.860 4.109 5 20 IIBD COc1cc(CCNC(=O)[C@@H](C)Oc2cc(C(C)C)ccc2C)c([N+](=O)[O-])cc1OC 514573254 HZZMSQOFIBOKTA-MRXNPFEDSA-N 430.501 4.170 5 20 IIBD COc1ccc([C@@H](C)NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1Br 515283762 LMEIMFBGWBGEPO-GFCCVEGCSA-N 445.273 4.043 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC(Oc2cncc(Cl)c2)CC1 517263359 HZWZGRQWAOQKMQ-UHFFFAOYSA-N 444.900 4.450 5 20 IIBD CCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H](C)c1cc2ccccc2o1 517828369 DWHWHECMGCBVIY-LBPRGKRZSA-N 447.394 4.491 5 20 IIBD CN1CC[C@H](CNC(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C1 520339190 GFJQWYLDHGSEGQ-ZCWPUFOUSA-N 436.537 4.203 5 20 IIBD COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 520410249 WVYUTWUVNKXYEY-QAPCUYQASA-N 448.903 4.232 5 20 IIBD O=C(COc1cccc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c1)Nc1ccccc1 521549088 ALNZVZIKKSYMIF-UHFFFAOYSA-N 444.447 4.206 5 20 IIBD COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCc1cccc([N+](=O)[O-])c1 522239175 GPTNEMXMUVFAGV-UHFFFAOYSA-N 428.448 4.386 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N1CC(n2ccnc2)C1 522258034 UBUHAAXXEREHSN-BOPFTXTBSA-N 445.504 4.415 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H]1C[C@H]1c1c(F)cccc1F 522525429 KKDHSIFSVJUZRL-IAQYHMDHSA-N 429.345 4.366 5 20 IIBD CCN(Cc1ccccc1Cl)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 523223611 MPVTVYGIYVVKEB-FQEVSTJZSA-N 429.904 4.210 5 20 IIBD COc1ccc(CC[C@H]2CCCCN2C(=O)CCNc2ccccc2[N+](=O)[O-])cc1OC 523563862 UOMVRRPDRAYOKH-LJQANCHMSA-N 441.528 4.428 5 20 IIBD Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)Cn1ccc([N+](=O)[O-])n1 525480922 TZKJKCDCXXTQQO-UHFFFAOYSA-N 436.447 4.475 5 20 IIBD O=[N+]([O-])c1ccccc1-c1nc(-c2ccc(N3CCN(c4ccc(F)cc4)CC3)nc2)no1 531138041 RGKKSIKDMBJTPY-UHFFFAOYSA-N 446.442 4.173 5 20 IIBD O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 532167912 ZHEIBQVUNOHFFG-UHFFFAOYSA-N 428.297 4.165 5 20 IIBD O=C(CN[C@H](C(=O)Nc1ccccc1)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl 533486811 KBLNUXJYWXZGRT-NRFANRHFSA-N 438.871 4.156 5 20 IIBD CC[C@H](NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-])c1c(C)noc1C 533825988 FGODVVMROPWJPQ-HNNXBMFYSA-N 446.485 4.125 5 20 IIBD COc1ccc2[nH]cc(C3=CCN(C(=O)Cc4c[nH]c5ccc([N+](=O)[O-])cc45)CC3)c2c1 533920891 OWTHCIYSHBRUAP-UHFFFAOYSA-N 430.464 4.424 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccccc1CS(=O)(=O)c1ccccc1 533940477 NIRFZUCEYSHFEN-UHFFFAOYSA-N 449.488 4.231 5 20 IIBD CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 536318235 AWOFUFVPUUEDLT-CVEARBPZSA-N 448.545 4.004 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1Cc2ccccc2[C@H](c2ccccc2)C1 538510153 PUBNAWXIHKNYSU-QHCPKHFHSA-N 443.503 4.219 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCC[C@@H]2CCO[C@H](C)C2)cc1[N+](=O)[O-] 541343261 BOEQKBQAKFRDBR-HZPDHXFCSA-N 442.537 4.483 5 20 IIBD O=C(NCCc1cn2c(n1)CCCC2)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 542609126 WNHOXDPMYLQSNX-UHFFFAOYSA-N 428.558 4.382 5 20 IIBD C[C@H](C(=O)N1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])cc1F 542618794 NDKJSYNMABURQT-AWEZNQCLSA-N 448.882 4.257 5 20 IIBD CN(C)C(=O)CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 542674327 RGIQKZTZZPXZOW-UHFFFAOYSA-N 433.574 4.208 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nnc(SCc3cccs3)s2)c1 542714421 DOZXGHCYKRYBJU-UHFFFAOYSA-N 442.569 4.218 5 20 IIBD CNC(=O)c1cc(Oc2ccccc2NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)ccn1 543483111 HWKXIZNQILNDBW-ZDUSSCGKSA-N 438.415 4.023 5 20 IIBD CCc1ccc([C@H](NCc2cccc(CN3CCOCC3)c2)c2ccc([N+](=O)[O-])cc2)o1 544359182 DMZICDQSAVDXBU-RUZDIDTESA-N 435.524 4.462 5 20 IIBD COc1cc(-c2nc(Cc3c[nH]c4cc(Br)ccc34)no2)ccc1[N+](=O)[O-] 547251517 JXCSESZJOPMHGP-UHFFFAOYSA-N 429.230 4.488 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(c3ccc(Br)c(C)c3)CC2)n1 553207543 QFQKYCGBTAJKEG-UHFFFAOYSA-N 434.290 4.231 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 553270005 WTOJUSLJKXMVQT-AQNXPRMDSA-N 435.480 4.078 5 20 IIBD COc1ccc(NC(=O)CCN[C@@H](C)c2ccc(Br)cc2F)c([N+](=O)[O-])c1 554952600 SVEWPZKHDOWJGX-NSHDSACASA-N 440.269 4.184 5 20 IIBD Cc1cc(N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c(Br)cc1[N+](=O)[O-] 557752774 KVCQDDSZIIGETQ-LLVKDONJSA-N 438.244 4.411 5 20 IIBD CC1CCN(c2ccc(C(=O)NC[C@@]3(C)OCCc4sccc43)cc2[N+](=O)[O-])CC1 565512069 DHPDMJGQYRJTBT-JOCHJYFZSA-N 429.542 4.111 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(-c2ccc(OCC(F)F)cn2)no1 565977442 LOAKCHUUSTZBJE-UHFFFAOYSA-N 441.188 4.422 5 20 IIBD Cc1ccsc1C(=O)Nc1ccc(OC[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 571597206 FXGBNCHGQNPUIA-MRXNPFEDSA-N 428.466 4.036 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCc2nccn2-c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 572054749 AHIQQDZJRWBKOF-KRWDZBQOSA-N 442.479 4.279 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1(c2cccc(Br)c2)CCC1 572171771 LCTPFEBSUADXHG-UHFFFAOYSA-N 446.301 4.054 5 20 IIBD CSc1cccc(C(=O)N2CCC[C@H](NC(=O)CCCc3ccccc3)C2)c1[N+](=O)[O-] 572846013 LLOXPBRQEVECBQ-SFHVURJKSA-N 441.553 4.060 5 20 IIBD O=C(NC1(C(=O)O)CCSCC1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 576572226 VHNAQULAUFMTGH-UHFFFAOYSA-N 436.873 4.121 5 20 IIBD O=C(N[C@H](c1cccc(F)c1)C1CCCC1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 579634376 UZXIELBKGREXOW-QFIPXVFZSA-N 439.487 4.273 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@H]2CC[C@@](O)(C(F)(F)F)C2)cc1 589938177 HVUAGCAMHCIKCI-UWJYYQICSA-N 446.429 4.383 5 20 IIBD O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 591724059 CQTKTTRBGPUJCK-QHCPKHFHSA-N 438.447 4.176 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCN(c2cccc(Cl)c2)CC1 603688059 UFVSIZDDJFNQLY-UHFFFAOYSA-N 443.809 4.152 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(OCc2csc(N(C(C)=O)c3ccccc3F)n2)c1 603725188 AURDXJGQKKNHFM-UHFFFAOYSA-N 445.428 4.241 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCCCN(C)C(C)C)c([N+](=O)[O-])c2)c(C)c1 603854210 IQFXUEPXAQXSSF-UHFFFAOYSA-N 434.562 4.155 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1cccc(OCc2ccccn2)c1 604442743 RXTKKTYEHVJZHT-HNNXBMFYSA-N 441.871 4.306 5 20 IIBD COc1cc(CNCCN2CCCc3ccccc32)c([N+](=O)[O-])cc1OCC(F)(F)F 604532650 JOOAFRRVUZEOAM-UHFFFAOYSA-N 439.434 4.087 5 20 IIBD COc1cc(C(=O)Nc2ccnc(Sc3ccccn3)c2)c([N+](=O)[O-])cc1OC(F)F 608807031 GURBNJWKVGXQTN-UHFFFAOYSA-N 448.407 4.398 5 20 IIBD O=C1[C@H](Sc2nc(O)c3c4c(sc3n2)CCCC4)CCN1c1cccc([N+](=O)[O-])c1 609449809 IPSNBJBWGIUMDU-OAHLLOKOSA-N 442.522 4.082 5 20 IIBD O=C(Nc1ccc(NC[C@H]2CCCO2)c(F)c1)c1ccc([N+](=O)[O-])cc1Br 610069214 DUAPYPTYOUCIES-CYBMUJFWSA-N 438.253 4.340 5 20 IIBD Cc1ccc(NCCCNC(=O)c2[nH]c3ccccc3c2Br)c([N+](=O)[O-])c1 610069308 KMQUDSXALULGGK-UHFFFAOYSA-N 431.290 4.379 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCc3sc(Br)cc3C2)cc1SC 610934269 QKYHYWQZJRBCDA-UHFFFAOYSA-N 443.344 4.348 5 20 IIBD Cc1cccc(OC[C@H](O)CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)c1 611202144 CXIKVJRMFXQJFP-QGZVFWFLSA-N 430.526 4.108 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2ccc(C)nn2)cc1 611206430 XMBGYJNFHKUMBL-UHFFFAOYSA-N 440.481 4.476 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)N2CC(Cc3ccccc3)C2)cc1[N+](=O)[O-] 611519793 QWOJWPRKASOARO-UHFFFAOYSA-N 443.503 4.207 5 20 IIBD COc1cccc(CC2CCN(C(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CC2)c1 612335418 PQYYNMJLRLXWMH-UHFFFAOYSA-N 434.496 4.099 5 20 IIBD COc1cc(CCNC(=O)N(C)Cc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])cc1OC 616169581 SALWZQPTRGRCDK-UHFFFAOYSA-N 429.517 4.294 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 619477381 NEWCCUSROFQTGH-CQSZACIVSA-N 431.297 4.436 5 20 IIBD Cn1cnc([N+](=O)[O-])c1Sc1nc2cc(Cl)ccc2c(=O)n1-c1ccc(Cl)cc1 619721072 KBAJAWNPHHRSMQ-UHFFFAOYSA-N 448.291 4.485 5 20 IIBD O=C(OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 727933092 ZSHUUTIEMNLFHE-HUUCEWRRSA-N 435.263 4.138 5 20 IIBD CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 728259132 CGGKMTAMQLECMB-FMIVXFBMSA-N 427.457 4.150 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)Oc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1 729115881 XPFFEXJLGPOVPY-KRWDZBQOSA-N 427.438 4.194 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(N2CCC[C@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 732982217 PKWJYBFJIXPVFK-SFHVURJKSA-N 439.484 4.245 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)O[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O 733428124 QYFZWOXMQMDISF-MRXNPFEDSA-N 440.399 4.054 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 735251434 MBKLRADPJGCAHB-UHFFFAOYSA-N 427.344 4.452 5 20 IIBD O=C(NC[C@H](O)c1c(F)cccc1Cl)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 741299078 PSLJCEGWANQTFK-FQEVSTJZSA-N 443.862 4.463 5 20 IIBD CC(C)(C)Cc1nc(-c2ccc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2)no1 741515007 IWMGBBOFPIQPGQ-UHFFFAOYSA-N 449.511 4.196 5 20 IIBD COc1cccc(-n2c(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)nc3ccccc32)c1 741987692 DRVUNRQMDLOEOB-UHFFFAOYSA-N 447.407 4.411 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 742624354 NDELHSXWMHYKBM-HXUWFJFHSA-N 446.548 4.035 5 20 IIBD O=C(NCCOC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cc2c(s1)CCCC2 744066299 KGBNQQCWMHJFDM-UHFFFAOYSA-N 442.415 4.141 5 20 IIBD CCOc1ccc(C(=O)OC2CCN(c3ccc([N+](=O)[O-])c(OCC)c3)CC2)cc1OC 744204541 PJAQIYACNCMTJY-UHFFFAOYSA-N 444.484 4.227 5 20 IIBD CCCOCC(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 744284210 QJXCDBVYIKWRKO-UHFFFAOYSA-N 427.240 4.486 5 20 IIBD CCN(CC1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1)C(=O)OC(C)(C)C 744715133 DZOWDNGEWWKNCG-UHFFFAOYSA-N 430.505 4.185 5 20 IIBD C[C@H](Oc1cccc(Cl)c1Cl)C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 744740374 DUVFQFFLLAXFTA-MNOVXSKESA-N 427.240 4.239 5 20 IIBD O=C(O[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 744826053 OXCOPGREZXVZIT-QGZVFWFLSA-N 445.378 4.030 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2)C1 745351705 VLIAVNBVQGAPAJ-DEOSSOPVSA-N 440.496 4.368 5 20 IIBD COc1cc(C(=O)O[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)c([N+](=O)[O-])cc1OC 746058603 OBMGZMFLMVFNKQ-SNVBAGLBSA-N 433.804 4.233 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(OCC(F)(F)F)cc2)c(C(F)(F)F)c1 746668274 ATJGCPBZXPBIEU-UHFFFAOYSA-N 445.293 4.322 5 20 IIBD O=C(OCc1nc(Cc2ccc(F)cc2)no1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 746915556 YQXIDVADFZFTOF-UHFFFAOYSA-N 425.294 4.084 5 20 IIBD Cc1c(C(=O)OCC(=O)N[C@@H](CC(C)C)c2ccccc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748951978 UACIMFHNXWCTCN-SFHVURJKSA-N 443.456 4.180 5 20 IIBD CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 751338691 ZFFRADCJVIAINX-LJQANCHMSA-N 428.460 4.323 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)Nc1cccc2ccccc12 751692696 RQDKPSUFLAKEOA-UHFFFAOYSA-N 447.216 4.445 5 20 IIBD CCN(CC)C(=O)c1ccc(OC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1 753167473 DVBCHWCVDQDUKT-UHFFFAOYSA-N 435.274 4.367 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC(CCCN2CCCC2)CC1 755024889 PAHHXAGRUKCPNI-UHFFFAOYSA-N 439.354 4.477 5 20 IIBD C[C@@H](C(=O)OCC(=O)NCCc1cccc(Cl)c1Cl)c1ccc([N+](=O)[O-])cc1F 755058803 BMSAEEKHJMTKDA-LLVKDONJSA-N 443.258 4.046 5 20 IIBD Cc1oc2cc(OC[C@H](O)COc3cccc([N+](=O)[O-])c3)ccc2c(=O)c1-c1ccccc1 755310417 MHBDKYLYODJTRH-LJQANCHMSA-N 447.443 4.495 5 20 IIBD Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1cccc([N+](=O)[O-])c1Br 757916059 PWZNXXCUJLFAJJ-DOTOQJQBSA-N 430.302 4.114 5 20 IIBD CC(C)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)C(=O)OCc1ccccc1 758345444 VMDUBTTXZKYPOQ-INIZCTEOSA-N 449.301 4.245 5 20 IIBD COc1cc(S(=O)(=O)Nc2ccc(N3CCc4sccc4C3)cc2)ccc1[N+](=O)[O-] 759149394 UMABRLRNTOFZFG-UHFFFAOYSA-N 445.522 4.028 5 20 IIBD Cc1nn(C)c(C)c1[C@@H](OC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(F)(F)F 760759771 UWDYCZIGXCSSII-CYBMUJFWSA-N 436.184 4.168 5 20 IIBD CN1CCN(c2ccc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)cc2Cl)CC1 762444759 UCMZAWALBGMALE-UHFFFAOYSA-N 434.899 4.055 5 20 IIBD C[C@H](OC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 762905580 ZTZVKBISXJGEDF-ZDUSSCGKSA-N 437.452 4.489 5 20 IIBD COc1c([N+](=O)[O-])cc(N[C@@H]2CCO[C@H](C(C)(C)C)C2)c([N+](=O)[O-])c1Br 764178386 HVLKPXSHPCTFHO-SKDRFNHKSA-N 432.271 4.280 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2COCCN2C(=O)OC(C)(C)C)no1 764914178 AYLZQGOTDKWRTK-WBVHZDCISA-N 432.477 4.023 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CC[C@H](c3ccccc3OC)C2)c1=S 765016583 WTSFDALCMIVQHJ-KRWDZBQOSA-N 439.541 4.465 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@H](C)Cc1ccc(Br)cc1 766239417 ZNQADZIGKRHASO-CYBMUJFWSA-N 435.274 4.026 5 20 IIBD CC(C)[C@H](OC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 766853852 DMCLGCJZELKTCI-FQEVSTJZSA-N 432.379 4.081 5 20 IIBD CC(=O)N1CCc2c(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3Cl)cccc21 769622721 HWYXIGVTJARZRA-UHFFFAOYSA-N 438.665 4.172 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 770476700 AJHFMMAEFXSZIG-UHFFFAOYSA-N 428.626 4.191 5 20 IIBD CC(C)c1ccc(N2Cc3ccc(NC(=O)Cn4cc([N+](=O)[O-])ccc4=O)cc3C2)cc1 772181829 FYPQKBMTERRIBK-UHFFFAOYSA-N 432.480 4.039 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C2)CC1 773737841 KRHIOMWTYLNNKX-UHFFFAOYSA-N 437.924 4.040 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 774638184 DZQSIUCCCXVXNS-KBPBESRZSA-N 437.928 4.181 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 777404030 OWPKZTKPAYATAK-CQSZACIVSA-N 445.501 4.117 5 20 IIBD Cc1nc(C(C)C)sc1[C@H](C)OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 779313705 OYGHXFLBUOJIBP-QWHCGFSZSA-N 437.543 4.454 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O 780012848 PECGCWWAVVUEHO-IBGZPJMESA-N 427.526 4.018 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC[C@@H]1c1cccc2c1OCCO2 782169029 ISWAXIAAHAMPSG-CQSZACIVSA-N 433.258 4.106 5 20 IIBD Cn1cc(CNC[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 784663187 YGFADKZAEVQDTG-QHCPKHFHSA-N 443.548 4.122 5 20 IIBD O=[N+]([O-])c1ccc(CSc2ncnc3c2cnn3-c2ccc(F)cc2)c([N+](=O)[O-])c1 789909093 VPOLZBYBAQZOAJ-UHFFFAOYSA-N 426.389 4.063 5 20 IIBD CCOc1cccc(CNC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c1 790667844 BDIZFEYZIFXKMP-UHFFFAOYSA-N 434.290 4.024 5 20 IIBD COc1ccc(OC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 791775932 NIAFZIQEBMURSI-SGTLLEGYSA-N 439.251 4.035 5 20 IIBD COc1cc(CSCc2cc(Br)no2)c([N+](=O)[O-])cc1OC(F)F 793965785 LLOXSBRLRZWULK-UHFFFAOYSA-N 425.207 4.389 5 20 IIBD Cc1nn(-c2ccccn2)c(Cl)c1/C=C1/N=C(c2c(Cl)cccc2[N+](=O)[O-])OC1=O 794686409 AUQLEKTUXMDIDZ-UKTHLTGXSA-N 444.234 4.135 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(Cl)nc3)CC2)nc1-c1ccc(F)cc1 797435227 NNNVBTUIBVZLMW-UHFFFAOYSA-N 427.867 4.167 5 20 IIBD CC1(C)C[C@H](OC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c2cc(Br)ccc2O1 798558908 SXIITSKPQINESI-HNNXBMFYSA-N 438.278 4.135 5 20 IIBD CC(=O)c1oc2cc(C)ccc2c1CC(=O)O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 805896016 AKJVYPZOJXOGOW-ROUUACIJSA-N 425.441 4.318 5 20 IIBD COCCOc1ccc(Cc2noc(-c3cc([N+](=O)[O-])ccc3N3CCCCC3)n2)cc1 809437235 AAQBKAXEEDHDRM-UHFFFAOYSA-N 438.484 4.251 5 20 IIBD CCCCN1C(=O)CC[C@@H](c2nc(CCC(C)(C)[N+](=O)[O-])no2)[C@@H]1c1ccccc1OC 812813540 KSLVXPRUKJYXBB-UTKZUKDTSA-N 444.532 4.314 5 20 IIBD Cc1cc(-c2cc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)c3c(C)noc3n2)c(C)o1 813318768 DFQXVTNHJPGFIT-UHFFFAOYSA-N 435.392 4.356 5 20 IIBD CC(C)(C)c1n[nH]c(COC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 814358986 PHLTZBNFFYDOLO-UHFFFAOYSA-N 442.859 4.252 5 20 IIBD CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 815123221 ZPKROKUPZGRHGA-ZDUSSCGKSA-N 431.411 4.133 5 20 IIBD Cc1cc(Cl)c(C(=O)OCC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] 815407495 WVDCGJHUPURUKU-LLVKDONJSA-N 426.803 4.211 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 820002126 JYSRFJRZGJBTFN-UHFFFAOYSA-N 441.465 4.047 5 20 IIBD C[C@@H](OC(=O)/C=C/c1nc2ccccc2s1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 849190262 ACFVHSIRKUMNEE-ANYFNZRUSA-N 431.857 4.442 5 20 IIBD C/C=C/C=C\C(=O)O[C@H](c1ccccc1)[C@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 879392479 VRRSMFGGEXCIKK-VUEILREHSA-N 444.509 4.021 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cc(Cl)ccc1Br 913344099 JDSNGZNBHYTOAO-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD O=C(OCc1ccc(Br)s1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 914525977 QNFDQWNWSGGAQN-UHFFFAOYSA-N 425.304 4.379 5 20 IIBD C[C@H](Oc1ccccc1Cl)C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 914640334 GUDXQKNUTFNXGR-JTQLQIEISA-N 446.765 4.216 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2nc(C)c(-c3ccccc3)s2)cc1OC 914735240 UCGNQVQDJOZKDA-UHFFFAOYSA-N 443.481 4.313 5 20 IIBD CC(C)c1noc2nc(C3CC3)cc(C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)c12 915576564 AUMXUEQDKOKTPD-LBPRGKRZSA-N 438.440 4.316 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCO[C@@H](c2ccc(Cl)s2)C1 1116328491 VOZJWNPFFZGAHO-QMTHXVAHSA-N 430.313 4.364 5 20 IIBD CCCCc1ccc(N2C[C@@H](c3nnc(COc4ccccc4[N+](=O)[O-])o3)CC2=O)cc1 1117214836 NVZBZWWFLSSJFE-KRWDZBQOSA-N 436.468 4.420 5 20 IIBD COc1ccc(Br)cc1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 1317917807 JNPVASWCBJSFAJ-VIFPVBQESA-N 428.670 4.458 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1cnn(C2CCCCC2)c1)c1ccccc1[N+](=O)[O-] 1318409871 RHYUVOWWGSRYAF-LJQANCHMSA-N 428.489 4.109 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(-n3cccc3)ccc2F)ccc1[N+](=O)[O-] 1338446623 NYTJSBBAMHHFLY-NRFANRHFSA-N 436.443 4.076 5 20 IIBD Cc1ncc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CCC2)s1 1785748850 LODBZQNYQMMOSG-UHFFFAOYSA-N 426.454 4.014 5 20 IIBD Cc1occc1C(=O)Nc1ccc(C2(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)CCC2)cc1 1787364621 UCHCOKDXBWRSMH-UHFFFAOYSA-N 435.436 4.263 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)C4CC(F)(F)C4)CCC3)cc2)ncc1[N+](=O)[O-] 1788764500 GLGQRAFGJAMGJS-UHFFFAOYSA-N 444.438 4.091 5 20 IIBD Cc1ccncc1C(=O)NC1(c2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc2)CCC1 1790755921 DICMTKXLKDUMEI-UHFFFAOYSA-N 446.463 4.065 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)Nc1ccc(C2(NC(=O)c3ccn(C)c3)CCC2)cc1 1790806597 NIIBVRVYUFBISZ-UHFFFAOYSA-N 448.479 4.009 5 20 IIBD O=C(NC1(c2ccc(NC(=O)C3CCSCC3)cc2)CCC1)c1ccc([N+](=O)[O-])o1 1792350398 HJHBCCVTMXGWKX-UHFFFAOYSA-N 429.498 4.079 5 20 IIBD CC1(C(=O)N2CCC3(CCCN(C(=O)/C=C/c4ccc([N+](=O)[O-])o4)C3)CC2)CCCCC1 1805685160 BIAXDENKEANTAJ-SOFGYWHQSA-N 443.544 4.403 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@H]2CCCCN2C(=O)CCC2CCCC2)CC1 1826264303 OMCGABMTZLCJQO-LJQANCHMSA-N 431.533 4.392 5 20 IIBD Cc1cccc(C)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 1830637164 GPARVAKPSFIFMC-IBGZPJMESA-N 439.512 4.352 5 20 IIBD COc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 9868466 LNCQKBDJNGSXCX-NSHDSACASA-N 433.848 4.015 5 20 IIBD COc1ccc(Nc2nnc(SCC(=O)Nc3c(C)cccc3[N+](=O)[O-])s2)cc1 10786313 YEOQTFODWBJAIF-UHFFFAOYSA-N 431.499 4.238 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1 15340118 JLUMTPGILDFXOT-INIZCTEOSA-N 440.477 4.162 5 20 IIBD CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 18174277 WBTQTTJVDUCLLN-UHFFFAOYSA-N 430.770 4.369 5 20 IIBD CCOc1ccccc1-c1nnc(SCCC(=O)Nc2ccc([N+](=O)[O-])cc2C)o1 26408631 ZNUAPSSNWBQOMW-UHFFFAOYSA-N 428.470 4.473 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1c(-c2ccccc2Cl)noc1C 28784666 NSAMDUFEZZTNNA-UHFFFAOYSA-N 429.816 4.316 5 20 IIBD CC(C)(CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1ccc(Cl)c(Cl)c1 60265983 PQQFYALWSSLCHQ-UHFFFAOYSA-N 445.324 4.013 5 20 IIBD CCOc1cc(C(=O)NCC2(c3ccccc3OC)CCCC2)c([N+](=O)[O-])cc1OC 64786948 NNYRQYHNPBKEHD-UHFFFAOYSA-N 428.485 4.253 5 20 IIBD O=C(Nc1ccccc1)Nc1ccc(C(=O)NCCNc2ccccc2[N+](=O)[O-])s1 97110277 QHLKXOGOIUIVBJ-UHFFFAOYSA-N 425.470 4.142 5 20 IIBD CCCN(CC(=O)Nc1ccccc1C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 98069332 SVSGKNXQXOGAOQ-OAHLLOKOSA-N 432.908 4.234 5 20 IIBD COc1c(C)cnc(CN(C)C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1C 109466341 YNSORCXLQOJZBC-QGZVFWFLSA-N 449.511 4.456 5 20 IIBD COc1cc(CCNC(=O)[C@@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])cc1OC 217474073 ULKHLBVZGPHLNZ-HZPDHXFCSA-N 438.402 4.093 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 301334146 CHDKRAFQSWSBLM-UHFFFAOYSA-N 430.205 4.318 5 20 IIBD CS(=O)(=O)c1cccc([C@@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2)c1 301477785 UGZOCDLJEOGPIL-FQEVSTJZSA-N 427.438 4.108 5 20 IIBD CC(C)CCOc1ccc([C@H](C)NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 303170674 WRSKPGBRJXNKJM-DLBZAZTESA-N 427.501 4.015 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 409526979 DWTKCFQYOIZYQP-UHFFFAOYSA-N 442.859 4.258 5 20 IIBD CC(C)CC(=O)Nc1cccc(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 429821906 AVBWXRHHFOFXOW-UHFFFAOYSA-N 434.290 4.272 5 20 IIBD CN(Cc1ccc(Br)s1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] 429916412 AHUUVNXCQQVNII-UHFFFAOYSA-N 434.109 4.454 5 20 IIBD O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H]1c1ccc(Br)c(F)c1 430215815 HNGCIHUBTHEDJB-WMLDXEAASA-N 439.281 4.073 5 20 IIBD Cc1c(NC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc(Br)cc1[N+](=O)[O-] 431224308 NLFXDPHAURHNET-DZGCQCFKSA-N 446.301 4.214 5 20 IIBD O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N(Cc1cc(F)ccc1F)C1CCCC1 434247752 GSMHQAZVPQINGF-UHFFFAOYSA-N 427.411 4.039 5 20 IIBD COc1ccc(Cl)cc1-c1cc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n[nH]1 434971482 AVZGQFGFVGWZCB-UHFFFAOYSA-N 443.268 4.101 5 20 IIBD Cc1ccc(NC(=O)C(=O)Nc2cccc(COCCOc3ccccc3)c2)cc1[N+](=O)[O-] 437053572 BGOMKVTYUIKPII-UHFFFAOYSA-N 449.463 4.076 5 20 IIBD COc1ccc(NC(=O)C(=O)Nc2cccc(CCCc3ccccc3)c2)cc1[N+](=O)[O-] 439379300 ZEHCJIYYSYZBTB-UHFFFAOYSA-N 433.464 4.356 5 20 IIBD COc1cc(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 440914782 NXKPCXSKBYRYLN-CJNGLKHVSA-N 445.903 4.404 5 20 IIBD CSc1ccccc1[C@H](C)NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 441404985 BATVPBNCJVQKFP-LBPRGKRZSA-N 429.527 4.087 5 20 IIBD O=C(Cc1noc(-c2ccc(NC3CC3)c([N+](=O)[O-])c2)n1)Nc1ccc(F)c(Cl)c1 445374573 WGHPHWISGCBGGK-UHFFFAOYSA-N 431.811 4.193 5 20 IIBD CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 446440627 KIRHMPXEUZWOMY-RUZDIDTESA-N 445.519 4.016 5 20 IIBD COc1cccc(OC)c1Oc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)cn1 446500266 XNGIUPWDHWHOEI-UHFFFAOYSA-N 438.440 4.429 5 20 IIBD CCOc1cc(C(=O)N[C@H]2CCCC[C@@H]2Oc2ccccc2C)c([N+](=O)[O-])cc1OC 448182423 XUXHTBAJBHYYPW-PXNSSMCTSA-N 428.485 4.431 5 20 IIBD Cn1cnnc1Sc1ccc(-c2nc(CCn3ccc4ccccc43)no2)cc1[N+](=O)[O-] 460151030 UOXHOKVBWRTYSH-UHFFFAOYSA-N 447.480 4.122 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC(c3cccc(Br)c3)CC2)cc1 462080020 QVWQDSODSAOALR-UHFFFAOYSA-N 439.331 4.067 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](C)CCc1ccc(Br)cc1 464041019 PYWQZZQVCMZVKI-CYBMUJFWSA-N 448.317 4.050 5 20 IIBD CC(C)Oc1ccc2ccccc2c1CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 464476244 XGGDVQHYVPVQOJ-UHFFFAOYSA-N 431.452 4.046 5 20 IIBD COc1ccc([C@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c2ccccc2OC)cc1 467043273 FNLUWVGHQNRQEX-FQEVSTJZSA-N 448.522 4.050 5 20 IIBD Cc1coc(-c2cccc(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)n1 467998347 MVCPQEHCTVEMTP-HXUWFJFHSA-N 434.452 4.110 5 20 IIBD Cc1cc(NC(=O)CSCC(=O)c2ccc(Cl)cc2)n(-c2ccc([N+](=O)[O-])cc2)n1 471000174 DVEOUQQNCCIYQA-UHFFFAOYSA-N 444.900 4.297 5 20 IIBD COCCOc1cccc(CCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 475487638 OBFFZOJKXHSGCT-UHFFFAOYSA-N 427.482 4.315 5 20 IIBD COC(=O)[C@H](C)N(C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1)C1CCC1 481349246 NWLKMZJDSSGDFM-LBPRGKRZSA-N 435.527 4.067 5 20 IIBD COc1ccc(Sc2nsc(NC(=O)c3cc(OC)c(C)c([N+](=O)[O-])c3)n2)cc1 485750826 DHWRAKRWGYNMSC-UHFFFAOYSA-N 432.483 4.175 5 20 IIBD COc1ccc([C@@H](NC(=O)c2sc(Br)cc2[N+](=O)[O-])C(F)(F)F)cc1 486115509 LWWZRWHCJKKTDX-GFCCVEGCSA-N 439.209 4.461 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1ccccc1C(=O)N1CCCC1 486655761 XSGSVKZCEFNBQK-UHFFFAOYSA-N 436.390 4.171 5 20 IIBD COC(=O)c1cc(NC(=O)N(C)C[C@H](C)Cc2ccc(OC)cc2)c(C)c([N+](=O)[O-])c1 486874964 RPBKTORPQPQQAH-CQSZACIVSA-N 429.473 4.041 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)cc1[N+](=O)[O-] 488052026 ROEVWDXMVBDRBZ-CYBMUJFWSA-N 435.933 4.348 5 20 IIBD Cc1ccccc1CN(Cc1cccnc1)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 488372856 AYVOSGWGWFUMNO-UHFFFAOYSA-N 427.464 4.327 5 20 IIBD O=C(N[C@@H]1CCC[C@H](c2ccccc2)C1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 489642925 RUUBEPWLVBBCKB-KSZLIROESA-N 427.526 4.104 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](c2nc3c(s2)CCCC3)C1 490035541 STMVJQDXUPEZTQ-OAHLLOKOSA-N 444.557 4.147 5 20 IIBD COc1cc(CN(CCO)[C@H]2CCCc3ccccc32)c([N+](=O)[O-])cc1OCC(F)F 490370405 OAKUSJRFQXEHKI-SFHVURJKSA-N 436.455 4.119 5 20 IIBD Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 493212409 ZVCXYXLMMBSSBP-MRXNPFEDSA-N 448.545 4.123 5 20 IIBD CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CC=C(c2ccccc2F)C1 501595243 GGSXAFDUASFIMV-FQEVSTJZSA-N 445.878 4.068 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 502547962 XYRZQXBKQFRSNA-UHFFFAOYSA-N 437.543 4.036 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cc(CC(C)(C)C)nn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 504109451 JWRWVEAYNHQVJQ-INIZCTEOSA-N 449.511 4.185 5 20 IIBD CC(=O)Nc1ccc(CCNC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1 504798419 XIVOHFFXLARBHV-IAGOWNOFSA-N 438.528 4.008 5 20 IIBD COc1ccc(Br)cc1[C@H]1CCCN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 504927312 YYFBZZVGOHLFIO-OAHLLOKOSA-N 435.274 4.352 5 20 IIBD COc1ccc([C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C(F)(F)F)cc1 505387354 LXFPPFPHZJVXMI-IBGZPJMESA-N 437.418 4.240 5 20 IIBD Cc1ccc2nc(-c3ccc(NC(=O)C(=O)NCc4ccc([N+](=O)[O-])cc4)cc3)sc2c1 506372133 NRTFANZCAPZTPH-UHFFFAOYSA-N 446.488 4.435 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCOC[C@@H]2c2nc3ccccc3s2)cc1[N+](=O)[O-] 507588027 SXGQCUQWWSANDO-KBXCAEBGSA-N 426.498 4.357 5 20 IIBD CN(c1ccccc1)c1ccc(CN[C@H]2CCN(Cc3ccccc3)C2=O)cc1[N+](=O)[O-] 507951751 BYXYCAMLVPEPMK-QFIPXVFZSA-N 430.508 4.253 5 20 IIBD O=C(Nc1ccc2[nH]ccc2c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 509953387 AFGLOHNKMTTYEW-UHFFFAOYSA-N 433.390 4.449 5 20 IIBD O=C(CCc1nc(-c2cccs2)no1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 512010719 WQCVPMKOBFMSQH-UHFFFAOYSA-N 427.467 4.401 5 20 IIBD O=C(c1cc2ccccc2[nH]1)N1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 512743903 KRWRNQABQSPTSS-UHFFFAOYSA-N 430.464 4.294 5 20 IIBD COc1ccc(CC(=O)Nc2ccccc2NC(=O)Cc2cccs2)cc1[N+](=O)[O-] 518040122 UYBOCOHKUFAVMX-UHFFFAOYSA-N 425.466 4.027 5 20 IIBD Cc1cc(C)c(-c2csc(NC(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)n2)cc1C 518794061 LGQIXZRSFUTVPN-UHFFFAOYSA-N 434.481 4.477 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(CC(=O)N1CCCCC1)c1ccccc1 518882979 OCLQRVFKNQSAAJ-INIZCTEOSA-N 445.903 4.061 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1cccc(Br)c1 520254768 NOQLSFVGNGEOGX-SFHVURJKSA-N 434.290 4.283 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(NCc2csc(-c3ccccc3)n2)c([N+](=O)[O-])c1 520457601 IOKVJDIUGYDOHK-UHFFFAOYSA-N 446.554 4.361 5 20 IIBD O=C(N[C@H]1CCCN(c2ccccc2Cl)C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 525536891 RHGSZHVYSCTURF-KRWDZBQOSA-N 428.920 4.247 5 20 IIBD CC[C@](C)(NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)c1nc(C)cs1 525579778 MMRYZMPGRILMEJ-NRFANRHFSA-N 427.530 4.277 5 20 IIBD COc1ccccc1-c1ccc([C@@H](C)NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1 525594123 ITGILCIQHRQKKE-MRXNPFEDSA-N 443.463 4.342 5 20 IIBD C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 527011235 APLKWEYAKYRDJA-SECBINFHSA-N 428.253 4.487 5 20 IIBD Cc1cc(Br)cc([N+](=O)[O-])c1OCC(=O)Nc1ccc(OC(F)F)cc1 531482195 GIMWNAIBXSZPFN-UHFFFAOYSA-N 431.189 4.285 5 20 IIBD CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 531777812 WXMUYKKHXCTFTM-CQSZACIVSA-N 448.907 4.426 5 20 IIBD CC1(C)CO[C@H](c2ccccc2)CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br 532519292 LUHLOLOFFYNDAR-SFHVURJKSA-N 448.317 4.148 5 20 IIBD CCOc1cc(NC(=O)N[C@H](C)c2ccc([S@@](C)=O)cc2)c([N+](=O)[O-])cc1OCC 533742810 INMIIHPXTGXLPV-BRRNQIAESA-N 435.502 4.012 5 20 IIBD COC(=O)c1ccoc1CSc1ccccc1C(=O)NCCc1cccc([N+](=O)[O-])c1 533994357 YRRCNZIVQDGYRG-UHFFFAOYSA-N 440.477 4.239 5 20 IIBD COc1ccc(-c2nnc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)s2)cc1 534236194 ZFMPNIGISBNURO-UHFFFAOYSA-N 435.259 4.137 5 20 IIBD CCCOc1cc(NC(=O)c2cccc(-n3ccnn3)c2)c([N+](=O)[O-])cc1OCCC 535924837 VHXIJAAHQWPUKT-UHFFFAOYSA-N 425.445 4.005 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1)c1cccc([N+](=O)[O-])c1 538976425 UALLTVHJPABYOU-OAHLLOKOSA-N 431.448 4.013 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(CCCc2ccccc2)C1=O 539372854 JLGJKJSVQCUUOU-FQEVSTJZSA-N 441.553 4.059 5 20 IIBD CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)c1 539543665 PMMBPTZNKCOTEB-UHFFFAOYSA-N 446.891 4.076 5 20 IIBD COc1cc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc(OC)c1Br 540560649 XTGNPHVQXULGDR-UHFFFAOYSA-N 438.278 4.205 5 20 IIBD Cc1cc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nn1-c1ccccc1Cl 540656305 CYOCDNWGFOXAKX-UHFFFAOYSA-N 440.887 4.426 5 20 IIBD C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(SCC(F)F)cc1 541739972 BYTTVWLJZSZLKK-ZDUSSCGKSA-N 430.498 4.077 5 20 IIBD CCN(CC)C(=O)Nc1ccc([C@H](C)NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cc1 543677046 WYMXLPMYHUVPTG-INIZCTEOSA-N 448.545 4.125 5 20 IIBD COc1cc(CNc2nnc(-c3cccs3)o2)c([N+](=O)[O-])cc1OCC(F)(F)F 543678045 FPOCRXGLYDJKJL-UHFFFAOYSA-N 430.364 4.268 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)cc1-n1cnnn1 544430974 QEWCBZVKWXPBGO-UHFFFAOYSA-N 438.513 4.414 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC(c2ccccc2C(F)(F)F)CC1 544720729 BAYIBKPNUFPOJS-UHFFFAOYSA-N 428.432 4.323 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2sc3nc4n(c(=O)c3c2C)CCCCC4)n1 544744577 HHIHBTXGVBWEOV-UHFFFAOYSA-N 437.481 4.426 5 20 IIBD O=C(NCc1cnc(-c2ccc(Cl)cc2)s1)c1cc2c(cc1[N+](=O)[O-])OCCO2 551681451 POKQHUDSNFCZAC-UHFFFAOYSA-N 431.857 4.073 5 20 IIBD CC(C)Oc1ccccc1[C@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br 553220922 CBCKDCJJAFGHRG-ZDUSSCGKSA-N 436.306 4.434 5 20 IIBD CCS(=O)(=O)c1ccc(-c2noc(-c3cc([N+](=O)[O-])ccc3C(F)(F)F)n2)cc1 556321504 PLMFGLQDPIFZKR-UHFFFAOYSA-N 427.360 4.124 5 20 IIBD CS(=O)(=O)c1cc(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])cc(C(F)(F)F)c1 557688507 NSKVPBNTQYFAGK-UHFFFAOYSA-N 443.325 4.043 5 20 IIBD CS(=O)(=O)c1ccc(N2CCCC[C@H]2c2ncc(-c3ccccc3)[nH]2)c([N+](=O)[O-])c1 561308586 WLJJUGGWYIEOGI-IBGZPJMESA-N 426.498 4.120 5 20 IIBD O=C(N[C@H](c1ccc(Cl)cc1)C1CCC1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 561313402 LSMFTZHFPKDWQO-NRFANRHFSA-N 441.915 4.397 5 20 IIBD COc1nc(C)c(Br)cc1-c1noc(COc2ccc([N+](=O)[O-])c(C)c2)n1 570855947 UPPPNURWRAZZLE-UHFFFAOYSA-N 435.234 4.007 5 20 IIBD CCOc1ccc(NC(=O)CNc2cc(F)c(F)cc2N2CCCCC2)c([N+](=O)[O-])c1 570981990 GZUVBEWURSNHMY-UHFFFAOYSA-N 434.443 4.313 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 575158091 UQXXAXSDIXZAJU-MRXNPFEDSA-N 429.326 4.238 5 20 IIBD CCOc1cc(-c2noc(-c3ccc(NC)c([N+](=O)[O-])c3)n2)cc(Br)c1O 575207311 ILSNZLBQTXSISI-UHFFFAOYSA-N 435.234 4.220 5 20 IIBD COc1ccc2[nH]cc(C3=CCN(c4nnc(-c5cccc([N+](=O)[O-])c5)n4C)CC3)c2c1 584557831 OFRRYDIJQJCJOK-UHFFFAOYSA-N 430.468 4.174 5 20 IIBD CCOc1cc(NC(=O)c2cc(C3CC3)nc3onc(C)c23)c([N+](=O)[O-])cc1OCC 590851846 FHBBMVVHZVYQSS-UHFFFAOYSA-N 426.429 4.367 5 20 IIBD O=C(Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1)c1cccc([N+](=O)[O-])c1 603601290 LNLDLSGWWBVKBE-UHFFFAOYSA-N 430.508 4.165 5 20 IIBD COC(=O)c1cnc(O)c(NC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)c1 603768991 GSOHUDTYYOFGOD-UHFFFAOYSA-N 439.449 4.194 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Nc1cccc(C(F)(F)F)c1)[C@H]1CC(=O)N(C2CC2)C1 603847663 KQVOHLUITJZSIL-LBPRGKRZSA-N 448.401 4.307 5 20 IIBD O=C(Nc1ccc(-n2cccn2)cc1C(F)(F)F)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 604469502 SMWRUDHPGWSEEU-UHFFFAOYSA-N 442.357 4.237 5 20 IIBD CC(C)[C@@H](NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1cccc(C(F)(F)F)c1 608810560 OXYZZJDOMGBQQO-GOSISDBHSA-N 437.374 4.035 5 20 IIBD COc1cc(CCNC(=O)NCC(C)(C)c2ccccc2Cl)c([N+](=O)[O-])cc1OC 609076770 ZVCXGHNBXFZRLL-UHFFFAOYSA-N 435.908 4.085 5 20 IIBD CCOCCN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CC1 609526891 AJBJZSGOCRRHFW-UHFFFAOYSA-N 449.960 4.194 5 20 IIBD O=C(NCc1ccc(-n2cnc3ccccc32)cc1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609548871 FLZBXZWGSJPWSL-UHFFFAOYSA-N 439.431 4.118 5 20 IIBD CC1CCN(c2ccc(C(=O)NC[C@@H](c3c(F)cccc3F)N(C)C)cc2[N+](=O)[O-])CC1 609664084 JHQSEWZCLKYGKR-NRFANRHFSA-N 446.498 4.142 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 609715365 ZVTHHMKUTLGUPY-WJOKGBTCSA-N 437.521 4.408 5 20 IIBD CSCCCN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 609901799 XUQUIJSTLHBBBZ-KRWDZBQOSA-N 438.347 4.380 5 20 IIBD COc1cccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc([N+](=O)[O-])cc2Br)c1 610042754 PMPPUYMGJFUTEJ-KRWDZBQOSA-N 449.301 4.187 5 20 IIBD CC[C@H](c1ccncc1)N(CC)C(=O)c1ccc([N+](=O)[O-])cc1I 610055929 SBYWOFKOUIQESI-MRXNPFEDSA-N 439.253 4.208 5 20 IIBD O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 610066344 VEDQDSDTPFNWEG-ZDUSSCGKSA-N 435.249 4.232 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 610070473 CDASPGLVYRPXMY-GOSISDBHSA-N 442.491 4.117 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1cc(C2CC2)n(C)n1 610220624 OMMXWPDAVHHUSQ-UHFFFAOYSA-N 440.481 4.363 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N[C@@H]2COc3cc(F)cc(F)c32)cc1[N+](=O)[O-])c1ccccn1 612222515 AYWYKCLWBGWICD-KZULUSFZSA-N 440.406 4.305 5 20 IIBD O=C(N[C@@H](CC(F)(F)F)c1ccc(Br)cc1)c1ccc([N+](=O)[O-])c(O)c1 612571100 XTFVZCWYCULYCI-LBPRGKRZSA-N 433.180 4.486 5 20 IIBD Cc1ccc(Oc2ccccc2NC(=O)Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)cc1 619725665 UDHOSOWTUUZEMH-UHFFFAOYSA-N 430.420 4.044 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCC[C@@H](c2nnc(O)o2)C1 619868334 SOQNPDFLELMOOS-CYBMUJFWSA-N 444.831 4.149 5 20 IIBD Cc1c(C(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 727396646 IZYMSQKGCSWITM-QGZVFWFLSA-N 437.811 4.126 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 731054512 FSVBSFXZRCHWSV-XCLFUZPHSA-N 436.867 4.127 5 20 IIBD COc1cc(C2(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)CCCC2)ccc1C 731083476 ASWUTIKTPHNOQY-UHFFFAOYSA-N 427.453 4.334 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccc3nccn3c2)c2ccccc2)c([N+](=O)[O-])c1 731907953 OBFBGYQXXIGVFJ-NRFANRHFSA-N 430.420 4.088 5 20 IIBD CNC(=O)c1cccc(COc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)c1 733792384 IGXODRGIYMYMEO-UHFFFAOYSA-N 430.416 4.307 5 20 IIBD O=C(NCC1(O)CCCC1)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 733977688 IJZRQCXFZJKHRP-UHFFFAOYSA-N 437.540 4.089 5 20 IIBD O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1cc(F)c(Cl)cc1Cl 735340595 SXOQNHRFNJPLNI-UHFFFAOYSA-N 429.187 4.196 5 20 IIBD C[C@@H](OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(=O)Nc1ccccc1Br 736876772 QXBVPGGZHDXOHC-SECBINFHSA-N 427.638 4.195 5 20 IIBD C[C@@H](OC(=O)[C@@H](C)c1cccs1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 738778216 AZNZQONVUAALRT-NWDGAFQWSA-N 431.495 4.454 5 20 IIBD CN1C(=O)CC[C@@H](COC(=O)CCNc2ccccc2[N+](=O)[O-])[C@H]1c1cccc(Cl)c1 740607076 ZWOUFFUPOZGUAY-KSFYIVLOSA-N 445.903 4.203 5 20 IIBD CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)Cn1c([N+](=O)[O-])cnc1C 743545451 YFDFTXIVXMMRQA-UHFFFAOYSA-N 448.888 4.297 5 20 IIBD O=C(OCc1cccc2c[nH]nc12)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 745953345 DXDPBSYIMNTIIT-UHFFFAOYSA-N 432.223 4.321 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)c1cc(F)c(F)cc1F)c1cccc([N+](=O)[O-])c1 747391712 SVOHBSYXZBLXFN-CQSZACIVSA-N 436.386 4.254 5 20 IIBD COc1cc(CN2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F 749493384 VZKQUQGRWFFFLR-JSGCOSHPSA-N 445.463 4.082 5 20 IIBD COc1cc(/C=C\c2ncc(/C=C/C(=O)O)s2)c([N+](=O)[O-])cc1OCC(F)(F)F 751041705 ZSVHXWBSLWMXRD-VOERYJCWSA-N 430.360 4.269 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H](OC(C)(C)C)c2ccccc2)c([N+](=O)[O-])c1 754313609 SHOOJANSPQIVMT-AUUYWEPGSA-N 430.457 4.030 5 20 IIBD O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1cc(F)cc([N+](=O)[O-])c1Br 754991256 ZZKLOZMZDNKSFH-OAHLLOKOSA-N 449.236 4.477 5 20 IIBD O=C(NS(=O)(=O)c1cccs1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 755575826 OJKHHICPAZOJTP-UHFFFAOYSA-N 426.541 4.057 5 20 IIBD Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 756734886 BPQZQWNTBYFKSM-OAHLLOKOSA-N 432.546 4.153 5 20 IIBD Cc1ccc(-c2nnc([C@H](C)OC(=O)c3nnn(-c4cccc([N+](=O)[O-])c4)c3C)o2)cc1C 758947461 RSSJQMHYNJSXPF-HNNXBMFYSA-N 448.439 4.069 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])c2nsnc2c1)C(=O)Nc1ccc(Cl)cc1Cl 762976241 OWEIZYPWSWLDBO-SSDOTTSWSA-N 441.252 4.090 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@H](O)c2ccc(Cl)c(F)c2)CC1 763203654 DJDMQDZZDLXKRG-FQEVSTJZSA-N 435.883 4.087 5 20 IIBD O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccccc1C(=O)Nc1ccccc1 764494292 XUVAHSUJYOIURH-UHFFFAOYSA-N 444.491 4.450 5 20 IIBD CC(=O)O[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C1 765077933 PYVUVLVMJHUKTJ-QGZVFWFLSA-N 431.876 4.028 5 20 IIBD Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)C2)cc1 765485099 QJGDWIHLNVOONK-OAHLLOKOSA-N 430.892 4.231 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 765531185 RHUCFFIVBDKGIT-GXTWGEPZSA-N 449.847 4.296 5 20 IIBD COc1cc(COC(=O)Cc2cccc(OCc3cccnc3)c2)c([N+](=O)[O-])cc1F 766222970 PCCGHLVPUQIGFC-UHFFFAOYSA-N 426.400 4.002 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@H]1CCCO[C@H]1c1ccccc1 769895032 JILHUYLIYQEYRM-UZLBHIALSA-N 438.933 4.345 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cnc4c(c3)c(C)nn4-c3ccccc3)n2)c1 771396843 KYUJQROAJNQGBT-UHFFFAOYSA-N 442.435 4.287 5 20 IIBD Cc1cc(S(=O)(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc([N+](=O)[O-])c1F 771721833 SVLVGWOUIUDITP-CYBMUJFWSA-N 435.502 4.220 5 20 IIBD Cn1cnnc1COC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 771896318 NVYHQJQQSLBBBQ-XNTDXEJSSA-N 435.465 4.007 5 20 IIBD CC(C)c1ccc(N2Cc3ccc(NC(=O)NCCn4cc([N+](=O)[O-])cn4)cc3C2)cc1 772589844 IINOAOBXRGSSRU-UHFFFAOYSA-N 434.500 4.257 5 20 IIBD O=C(O[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccc([N+](=O)[O-])cc1F 776380909 ORAGCGLLQIYRPY-KRWDZBQOSA-N 440.349 4.101 5 20 IIBD CCOc1ccc(NS(=O)(=O)c2c(OC)ccc3nc(Cl)ccc23)c([N+](=O)[O-])c1 776795040 NQBCERYYDRFQLA-UHFFFAOYSA-N 437.861 4.005 5 20 IIBD CC(C)(C)Sc1ccc(NC(=O)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1 778174224 LDEIAOKJWSHUJY-UHFFFAOYSA-N 435.933 4.436 5 20 IIBD C[C@@H](OC(=O)c1cccc(Br)c1Cl)C(=O)Nc1ccccc1[N+](=O)[O-] 780130130 XHUNQJJJNAPFLN-SECBINFHSA-N 427.638 4.195 5 20 IIBD O=C(NC[C@H](O)c1cccc(C(F)(F)F)c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 780911500 MLYWXNPOYVWFSQ-FQEVSTJZSA-N 426.394 4.164 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCCOCc1ccc(Cl)cc1Cl 781715144 DVLZNSYQRRNFRC-UHFFFAOYSA-N 442.255 4.075 5 20 IIBD Cn1cc(CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c(-c2ccccc2)n1 782596081 ZOSWTHIUCWGHEC-UHFFFAOYSA-N 430.262 4.080 5 20 IIBD CN(C(=O)COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 783343724 JMONLBSQJYPHIA-UHFFFAOYSA-N 440.402 4.278 5 20 IIBD CCCCN(C)c1ccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 784724521 QFTMSRHXQQYRDQ-UHFFFAOYSA-N 436.415 4.010 5 20 IIBD Cn1c(COC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)nc2ccc(Br)cc21 785948640 OXRINMUWUKFVCX-UHFFFAOYSA-N 438.665 4.183 5 20 IIBD C[C@@H](Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)c1ccc(N)c([N+](=O)[O-])c1 788728960 HLBBKGOKUHATLC-MRXNPFEDSA-N 425.510 4.465 5 20 IIBD Cc1cc(F)c(Br)cc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 789348976 XZWLKRQDPJRNHR-UHFFFAOYSA-N 437.269 4.159 5 20 IIBD COc1cc(C(=O)OCc2ncc(C)c([N+](=O)[O-])c2C)ccc1OCc1cscn1 789437651 OERMJAWELYTGOG-UHFFFAOYSA-N 429.454 4.008 5 20 IIBD CCOc1cc(OS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)ccc1[N+](=O)[O-] 790926154 ZUHNILNFFOFKFA-UHFFFAOYSA-N 425.768 4.433 5 20 IIBD Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)c1cccc([N+](=O)[O-])c1Br 791012536 DBGSPPBIGOLZTD-UHFFFAOYSA-N 437.200 4.288 5 20 IIBD O=C([C@@H]1SCCc2sccc21)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791246223 VROAGLFOOXWYKA-MRXNPFEDSA-N 439.356 4.334 5 20 IIBD COC1(COC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)CCCC1 791255816 IAGKLANQMYTOFY-UHFFFAOYSA-N 426.469 4.008 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N(C)CCCN(C)Cc2ccco2)CC1 804870184 SULZWXODDOBIIF-UHFFFAOYSA-N 428.533 4.018 5 20 IIBD C[C@@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1nccn1-c1ccccc1 805488708 VDVOKEPHUJKJCZ-CYBMUJFWSA-N 430.258 4.390 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCC[C@H]1CCNC(=O)OC(C)(C)C 805765379 KNVKMWUETFSLBU-KRWDZBQOSA-N 434.537 4.001 5 20 IIBD O=C(CCCc1ccccc1)N[C@H]1CCCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 806121279 QMLCEFXQLYSZKG-SFHVURJKSA-N 444.919 4.384 5 20 IIBD CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)Cc3ccc([N+](=O)[O-])cc3)cccc21 808243946 LBWBBKPTGGHNGG-UHFFFAOYSA-N 425.485 4.141 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)C2(c3ccccc3)CC2)c([N+](=O)[O-])cc1OC(F)F 808492855 IGCBMIZXOLGTJV-GFCCVEGCSA-N 435.379 4.051 5 20 IIBD O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 808914196 DJDPNRMRYRBYEY-NUJGCVRESA-N 431.286 4.002 5 20 IIBD Cc1c([C@H](C)NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)oc2ccccc12 810353200 BSLSHDPBOFXKOF-NSHDSACASA-N 446.257 4.228 5 20 IIBD CC(C)C(=O)Nc1nc(CC(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cs1 811084339 YZLPCUZTXYKHSL-UHFFFAOYSA-N 432.285 4.239 5 20 IIBD O=C(CCc1nc(-c2ccoc2)no1)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811216326 LUSMNAVBLHVGJD-UHFFFAOYSA-N 426.410 4.037 5 20 IIBD O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CCC(Oc2ccccc2Cl)CC1 815026850 VPDVXMLOBGBCFZ-UHFFFAOYSA-N 449.287 4.273 5 20 IIBD Cc1nc2cc(F)c(F)cc2n1CC(=O)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F 815240659 BGGXSCIHNLJHMY-UHFFFAOYSA-N 429.301 4.293 5 20 IIBD O=C(Nc1cccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1)c1cc(F)cc([N+](=O)[O-])c1 866043491 CWVWRZVRQNHRTP-UHFFFAOYSA-N 442.334 4.286 5 20 IIBD COc1cc(-c2noc(-c3ccnc(-c4ccccc4)c3[N+](=O)[O-])n2)cc(OC)c1OC 904673493 LRVPGBAWKTYZDV-UHFFFAOYSA-N 434.408 4.400 5 20 IIBD O=C(Nc1ccc(-n2cnc3ccccc32)nc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 914456293 WLABKYWKJQYYGR-UHFFFAOYSA-N 428.452 4.181 5 20 IIBD O=C(NCc1ccc(N2CCCCCC2)nc1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 917203087 JMUXWEVATLUCKP-UHFFFAOYSA-N 437.544 4.291 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncc(-c3ccccc3)s2)cc1Br 917882089 VHVWRILLJMWYQL-UHFFFAOYSA-N 440.300 4.282 5 20 IIBD COc1cc(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)ccc1C 918638563 RPARGAZIFIEFTR-IBGZPJMESA-N 426.469 4.154 5 20 IIBD CCOC(=O)/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1)c1nccn1C 920070373 QBMOXWPAIJYMEB-CPNJWEJPSA-N 437.452 4.020 5 20 IIBD O=C(Nc1ccn(C2CCCCC2)n1)c1cc([N+](=O)[O-])ccc1I 1324667292 AHJXWZXINSQSAJ-UHFFFAOYSA-N 440.241 4.153 5 20 IIBD CN(Cc1cc(F)cc(F)c1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCO1 1325284449 KZIJOIOLJNDWRO-HXUWFJFHSA-N 443.454 4.337 5 20 IIBD CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3nc[nH]c3[N+](=O)[O-])CCC2)cc1)c1ccccc1 1787646587 PNNRWTQQGAECNP-LJQANCHMSA-N 447.495 4.259 5 20 IIBD CC(C)(C)OCC(=O)NC1(c2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2)CCC1 1790695687 LIECNYSMDBQWAS-UHFFFAOYSA-N 443.475 4.297 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3nc[nH]c3[N+](=O)[O-])CCC2)cc1)c1ccccc1C1CC1 1792085229 GDUTWGIXRCUSJH-UHFFFAOYSA-N 445.479 4.257 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC(F)(F)F)c1cc2cc([N+](=O)[O-])ccc2s1 1795843371 GYQTXVRJCLDKPL-CLLJXQQHSA-N 441.431 4.014 5 20 IIBD CCCCC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc([N+](=O)[O-])c(OC)c1 1800048919 RWQDSTAUHWHROK-RSPOEFSDSA-N 445.560 4.001 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/C(C)C)n[nH]1 1823089337 ZUOADGDWNSNDER-RUJXFNLJSA-N 443.479 4.284 5 20 IIBD CC1=CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)CC1 1823614674 RVHDSGUQLTWQAT-OALUTQOASA-N 429.517 4.168 5 20 IIBD CC(C)/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830497718 LKTOCVUJWHYUDH-JLXBBBJOSA-N 431.508 4.179 5 20 IIBD CC(C)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830622743 MRBQTVMARODCIR-FQEVSTJZSA-N 433.524 4.403 5 20 IIBD COc1cccc(NC(=O)[C@@H](OC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c2ccccc2)c1 11341827 KEQHMNNAKXZOOP-NRFANRHFSA-N 436.420 4.149 5 20 IIBD Cc1ccc(NC(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc1[N+](=O)[O-] 15409098 RYCHPXCTGJAZLQ-UHFFFAOYSA-N 443.456 4.024 5 20 IIBD C[C@H](OC(=O)c1cc(Cl)ccc1O)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 21347333 ZJYWBISMIJIVAI-QMMMGPOBSA-N 432.738 4.157 5 20 IIBD COCc1c(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)oc2ccccc12 21693245 XTSLEGOAXGWXIN-NSHDSACASA-N 432.816 4.325 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nnc(C2CC2)n1-c1ccccc1 26368956 CMJFOAUCMXLCDW-UHFFFAOYSA-N 439.497 4.182 5 20 IIBD CSc1ccc(C(=O)Nc2n[nH]c(-c3ccccc3Br)n2)cc1[N+](=O)[O-] 28897215 DONDWDSPLYGWKF-UHFFFAOYSA-N 434.275 4.117 5 20 IIBD Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 29956173 CIBKMRKTHSCZHA-GOSISDBHSA-N 443.385 4.348 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N(Cc1ccccc1)Cc1ccco1 30223303 PQOOYIUIBQBDES-UHFFFAOYSA-N 435.436 4.105 5 20 IIBD Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1 63304818 QBPTYXVDJCHMGS-UHFFFAOYSA-N 431.495 4.326 5 20 IIBD O=C(NCCc1c[nH]c2cc(F)ccc12)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 65160665 FCJBBGSZYAAENJ-UHFFFAOYSA-N 425.338 4.129 5 20 IIBD CCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1nnc(-c2ccccc2Cl)o1 96979968 AKYBQJUEZXAELR-UHFFFAOYSA-N 443.891 4.457 5 20 IIBD COc1ccc(OC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)c([N+](=O)[O-])c1 105118933 YVEXFEINUNMBEC-QGZVFWFLSA-N 434.448 4.214 5 20 IIBD O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 109265720 MDGWTZILHCGWNY-UHFFFAOYSA-N 443.467 4.018 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cc(Cl)ccc1C(=O)N1CCCCC1 110754615 MRMFHPQVOPYWRS-UHFFFAOYSA-N 440.887 4.468 5 20 IIBD COc1cc(CNCc2cccc(NC(=O)c3cccc(F)c3)c2)c([N+](=O)[O-])cc1OC 237282912 KTVGRIGWYMUZGL-UHFFFAOYSA-N 439.443 4.293 5 20 IIBD Cc1cnc(Sc2nnc(N3C[C@@H](C)C[C@@H](C)C3)n2Cc2ccco2)c([N+](=O)[O-])c1 301465224 WWLDZYJOSYAPEQ-GASCZTMLSA-N 428.518 4.165 5 20 IIBD O=C(Nc1ccncc1)c1ccc(CNc2ncc(Br)cc2[N+](=O)[O-])cc1 301628531 AMEUZKZQAHYWKQ-UHFFFAOYSA-N 428.246 4.012 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(N2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1Cl 302015373 BUZZZAKOIPZOFG-UHFFFAOYSA-N 432.786 4.092 5 20 IIBD C[C@H](CC(C)(C)c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303417675 BUBRKWZZYPNCNX-WBVHZDCISA-N 429.542 4.134 5 20 IIBD COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc([N+](=O)[O-])cc1Cl 426279566 VZXODZNRICUOHL-UHFFFAOYSA-N 430.766 4.082 5 20 IIBD C[C@H]1CCCCN1Cc1ccccc1CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 427908706 ODVTYGIZYWFYSW-SFHVURJKSA-N 448.523 4.213 5 20 IIBD CCc1cc(=N[C@H](C)c2noc(Cc3ccccc3)n2)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 431805191 QMJSRBQCOQXIHN-OAHLLOKOSA-N 430.468 4.183 5 20 IIBD CN(C)C(=O)Nc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 432427015 WOVVTSXPXIBIKI-UHFFFAOYSA-N 425.367 4.029 5 20 IIBD CCOC(=O)CN(C(=O)c1cccc(OC)c1[N+](=O)[O-])c1cc(Cl)cc(Cl)c1 435814239 RZDVAQYEPIYRHF-UHFFFAOYSA-N 427.240 4.120 5 20 IIBD COc1cc(S(=O)(=O)N(C)c2ccc(OCc3ccccc3)cc2)ccc1[N+](=O)[O-] 436182621 HDCGYSZCOFDOOO-UHFFFAOYSA-N 428.466 4.008 5 20 IIBD O=C(N=c1cc[nH]cc1)c1cccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1 436360386 APRGTAZZFILULU-UHFFFAOYSA-N 434.455 4.003 5 20 IIBD O=C(Nc1ccccc1N1CCCCCC1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437034601 CQSSMWHCCQJBNS-UHFFFAOYSA-N 436.512 4.105 5 20 IIBD C[C@H](OC[C@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Cl)cc1 438817030 DUGSXKXERHECQF-OXJNMPFZSA-N 434.920 4.230 5 20 IIBD COc1ccc(C[C@H](C)NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1OC 444004853 NIWLISPFZHBMRD-AWEZNQCLSA-N 434.467 4.199 5 20 IIBD C[C@H]1CN(CCC2CCN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CC2)C[C@@H](C)O1 444165360 HXPDJTJFRGBGJB-KDURUIRLSA-N 447.579 4.033 5 20 IIBD O=C(NC[C@@H](CO)Cc1c(F)cccc1Cl)c1cccc2c(=O)c3ccccc3[nH]c12 445003293 GCMQJKNDGQVSKZ-AWEZNQCLSA-N 438.886 4.055 5 20 IIBD Cn1cnc([N+](=O)[O-])c1-c1noc(C2(c3cccc(Br)c3)CCCCC2)n1 445570047 CHHZNANBCPDVJD-UHFFFAOYSA-N 432.278 4.391 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(Cc3cccc4ccccc34)o2)c1C 446771427 ZTPJQMBNDJFVRW-UHFFFAOYSA-N 438.465 4.139 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncc(Cc3ccccc3)s2)c(C(F)(F)F)c1 446937405 DBQHPGVAOOOVKM-UHFFFAOYSA-N 443.428 4.462 5 20 IIBD Cn1c([C@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c2ccccc2)nc2ccccc21 447390734 HEWZJHYACVTWDR-HSZRJFAPSA-N 441.491 4.339 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCc2ccc(Br)cc2C1 460203032 HWOAXSQKGYKCKW-UHFFFAOYSA-N 428.290 4.198 5 20 IIBD O=[N+]([O-])c1ccccc1CN(c1nnc([C@H]2CCCO2)n1CCc1ccccc1)C1CC1 460432163 SKEIAWQEZMZVNZ-JOCHJYFZSA-N 433.512 4.450 5 20 IIBD CC(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 460627241 GSFOXPFJRPQWKS-PXNSSMCTSA-N 443.454 4.100 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(CCn3nnc4ccccc43)no2)ccc1NCc1ccccc1 460738935 VQOCHZOTHYJJJS-UHFFFAOYSA-N 441.451 4.244 5 20 IIBD CCOC(=O)c1sc2ncnc(N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)c2c1C 462950289 ZZVXYCUBPGIBBZ-UHFFFAOYSA-N 442.497 4.132 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(Nc2c(C)nn(CC)c2C)c([N+](=O)[O-])c1 463082399 NGLVTAAQHJRYIS-UHFFFAOYSA-N 443.529 4.387 5 20 IIBD COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)CN(C)c3ccccc3[N+](=O)[O-])s2)cc1 463815692 HBGSHMBZNCZMFP-CQSZACIVSA-N 440.525 4.349 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl 464243487 UPEWOZDESCGODI-QHCPKHFHSA-N 438.867 4.468 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N[C@@H]2CCN(CC3CCCC3)C2)cc1[N+](=O)[O-])c1ccccn1 464337823 OZHZBBKAHPPHBX-YLJYHZDGSA-N 437.544 4.157 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC1(c2cccc(F)c2)CCOCC1 464545232 FLISFBLDHPQYQG-UHFFFAOYSA-N 430.479 4.116 5 20 IIBD O=C(CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)N(Cc1ccco1)c1ccccc1 464775503 JYWDANPJQVHLFG-UHFFFAOYSA-N 435.480 4.264 5 20 IIBD CCCn1ccc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)cc21 465160171 TWCHSCDBFCVOHY-MRXNPFEDSA-N 426.498 4.264 5 20 IIBD CCOc1cc(NC(=O)NCc2cc(OC)nc3ccccc23)c([N+](=O)[O-])cc1OCC 466176287 FHBYRLLVCARBOD-UHFFFAOYSA-N 440.456 4.271 5 20 IIBD Cc1sc(S(=O)(=O)Nc2cc(Cl)ccc2-c2nc(C3CC3)no2)cc1[N+](=O)[O-] 466958623 WXFDSINNIWJJAO-UHFFFAOYSA-N 440.890 4.346 5 20 IIBD CC[C@@H](C)c1ccc([C@@H](NC(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)C(C)C)cc1 468172961 DTIDUCDJPIWVTH-SZNDQCEHSA-N 447.557 4.191 5 20 IIBD COc1cc(S(=O)(=O)N[C@H](C)c2ccc(-c3csc(C)n3)cc2)ccc1[N+](=O)[O-] 468977347 OJLKVVZRUAZNIQ-GFCCVEGCSA-N 433.511 4.075 5 20 IIBD CCO[C@H](CCNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C(C)C 470012601 RDFGZBJRHQOAGZ-LJQANCHMSA-N 445.482 4.397 5 20 IIBD CCC1(CC)Oc2ccc(NC(=O)C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)cc2O1 471044191 KTXZKWGVVGWVLA-CQSZACIVSA-N 427.457 4.007 5 20 IIBD CC(C)[C@@H](NC(=O)COc1c(Cl)cccc1[N+](=O)[O-])c1ccc2c(c1)OCCCO2 471292228 MBSXOSPGCZOMMB-HXUWFJFHSA-N 434.876 4.302 5 20 IIBD C[C@@H](NC(=O)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1)c1cccc([N+](=O)[O-])c1 474125547 WHPXUQUOHVMUFD-SWWFSWNPSA-N 447.495 4.469 5 20 IIBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1cc(F)ccc1Nc1ccc(F)cc1F 474517266 NOXAYICPVACAEE-UHFFFAOYSA-N 444.369 4.124 5 20 IIBD CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)[C@@H]1c1ccccc1OC 475303323 HPKBGCHLAXFYKX-JTSKRJEESA-N 440.500 4.025 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCc2c(F)ccc(F)c21 475903484 GHGBYBZPEJMEJE-UHFFFAOYSA-N 436.436 4.121 5 20 IIBD CC(=O)c1ccc(Oc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])c(C)c1 476510134 GKMLGGDUZAZNNM-UHFFFAOYSA-N 432.498 4.463 5 20 IIBD COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1c(C)ccc([N+](=O)[O-])c1C 479137333 DPXXGFBKNNNSSZ-UHFFFAOYSA-N 428.894 4.081 5 20 IIBD CCc1ccc([C@@H](C)NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC)cc1 481340146 OUUSMJGXLMFDBL-OAHLLOKOSA-N 439.541 4.405 5 20 IIBD O=C(c1cc(F)ccc1F)C1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 485193554 GUJXAJBILCDLDG-UHFFFAOYSA-N 426.217 4.130 5 20 IIBD O=C(c1cnc(O)c([N+](=O)[O-])c1)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 485372266 BCUHMRZLHVNRTI-UHFFFAOYSA-N 433.251 4.240 5 20 IIBD CC(C)CCn1ncc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1C(C)C 487637590 PUTYKDOTJQOQEA-UHFFFAOYSA-N 428.537 4.315 5 20 IIBD COC[C@@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 488123118 HNVHSKJWAGGUCU-OAHLLOKOSA-N 432.782 4.307 5 20 IIBD CC[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 488700114 MNIJLPNGCCQFTL-CYBMUJFWSA-N 427.320 4.347 5 20 IIBD CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 489134674 XVAVSXBSPNCZSQ-QGZVFWFLSA-N 449.511 4.277 5 20 IIBD CCOc1cccc(-c2cccc(NC(=O)c3nnn(-c4cccc([N+](=O)[O-])c4)c3C)n2)c1 489507239 CLKDVNFZAWGGQG-UHFFFAOYSA-N 444.451 4.197 5 20 IIBD Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 494039313 SLPQKCDKKRWCCZ-HNNXBMFYSA-N 440.500 4.012 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2cccnc2)c(Cl)c1 497774074 SLMQKZYVOOXELT-UHFFFAOYSA-N 431.901 4.077 5 20 IIBD O=[N+]([O-])c1ccc([C@@H]2SCCN2S(=O)(=O)Cc2ccccc2C(F)(F)F)cc1 497969852 CBFONNNKEXUJFT-INIZCTEOSA-N 432.445 4.191 5 20 IIBD COc1cc(Br)cc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 498336342 WLHHYNQLZKJEQD-UHFFFAOYSA-N 434.290 4.221 5 20 IIBD O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 499062258 UAAKAYLLBGYUQD-UHFFFAOYSA-N 439.378 4.489 5 20 IIBD CC(=O)Nc1ccc(C)c2c1CCCN2C(=O)Cn1c2ccccc2c(=O)c2ccccc21 499425299 XCTFCWXKTAVJDI-UHFFFAOYSA-N 439.515 4.401 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1N1CCSCC1 501612229 MTEXPEMPXWPWNQ-UHFFFAOYSA-N 435.937 4.035 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H](Oc2ccccc2Cl)C1 502312256 XIJZWIOCUAFVHG-AWEZNQCLSA-N 425.666 4.304 5 20 IIBD O=[N+]([O-])c1nn(Cc2csc(COc3ccc(Cl)cc3)n2)cc1Br 502819330 DTPUGFWMKCOVJQ-UHFFFAOYSA-N 429.683 4.291 5 20 IIBD COc1cc(C(=O)NCc2ccc(Oc3ccccc3)nc2)c([N+](=O)[O-])cc1OC(F)F 503508262 SJAXFYYAHHZAFQ-UHFFFAOYSA-N 445.378 4.322 5 20 IIBD Cc1c(NC(=O)CCN(CCO)Cc2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] 503625219 BVYKQZSNKINYLL-UHFFFAOYSA-N 426.300 4.033 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cc(C3CCC3)nn2-c2ccccc2)cc1[N+](=O)[O-] 505020476 JNANFDJYMHLRPM-INIZCTEOSA-N 447.495 4.172 5 20 IIBD Cc1cc(C(=O)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)cc([N+](=O)[O-])c1 505262342 SBPRYIYLHSUNCG-UHFFFAOYSA-N 446.301 4.157 5 20 IIBD O=C(Nc1ccc(Cl)c(OC(F)F)c1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 505627516 DIXWWHFXQNJSEV-LLVKDONJSA-N 445.831 4.154 5 20 IIBD O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 506628145 RKEPXCKYSPHNKS-OAHLLOKOSA-N 448.306 4.343 5 20 IIBD COc1ccccc1Nc1nnc(Sc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)s1 506811127 HZNMEMOLPRRSNU-UHFFFAOYSA-N 429.483 4.234 5 20 IIBD O=C(Nc1ccccc1)N1CC[C@@H](Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 509428372 FFPIYONNCZBRNU-GFCCVEGCSA-N 445.348 4.362 5 20 IIBD COC(=O)CCN(C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)c1cccc(F)c1 510239187 SVVBUZXUCSZRGI-UHFFFAOYSA-N 439.237 4.015 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2CCO[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 513112769 FHASUTSTMYYLCM-QHCPKHFHSA-N 446.459 4.190 5 20 IIBD Cc1cc(Cc2noc(-c3c(C)nc4ccc(Br)cn34)n2)ccc1[N+](=O)[O-] 515016452 HFIBKPGVJNCWPQ-UHFFFAOYSA-N 428.246 4.263 5 20 IIBD CC(C)(C)[C@H](NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)c1ccc(F)cc1 515908808 OKOIZQQPKSBIAC-GOSISDBHSA-N 448.520 4.050 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 517512690 AALZGESTEWMULY-UHFFFAOYSA-N 438.311 4.061 5 20 IIBD O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1cccc(Br)c1 517590711 WNISVMDSROXBBW-DLBZAZTESA-N 427.258 4.285 5 20 IIBD CC[C@H](C)C(=O)Nc1cccc(CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])c1 520868572 KOZDPVUUTVJDBG-HNNXBMFYSA-N 435.484 4.156 5 20 IIBD Cc1cccc(-c2cnc(NC(=O)c3nn(-c4ccccc4[N+](=O)[O-])c(C)cc3=O)s2)c1 521292851 XTDGPSSFLPZVCZ-UHFFFAOYSA-N 447.476 4.133 5 20 IIBD COc1ccc([C@@H](C)NC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 521778091 VTUMWBCHEPTUPD-GFCCVEGCSA-N 426.395 4.095 5 20 IIBD CCCN(Cc1ccccc1Br)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 521787774 RCNNNCYVTDOACD-UHFFFAOYSA-N 436.306 4.488 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCCNC(=O)c3ccc(C)cc3)c([N+](=O)[O-])c2)cc1 521959464 AKXCJCGBVZZQGB-UHFFFAOYSA-N 432.480 4.306 5 20 IIBD CCCc1[nH]nc(C(=O)Nc2ccc(Oc3cccc(Br)c3)nc2)c1[N+](=O)[O-] 523122595 KYENCMKUULEZKB-UHFFFAOYSA-N 446.261 4.473 5 20 IIBD Cc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1S(=O)(=O)NC(C)(C)C 523499515 VEPQBSNRBPJWAK-UHFFFAOYSA-N 447.538 4.447 5 20 IIBD C[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(NC(=O)NC2CC2)cc1 523877105 HDJUCJSHNLRKFD-ZDUSSCGKSA-N 446.891 4.178 5 20 IIBD COc1ccc2c(c1)CN(C(=O)c1ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n1)CC2 524050290 KNMUPMALYSLAJJ-UHFFFAOYSA-N 447.278 4.294 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 525102034 HBOYDXJPRJBGJN-UHFFFAOYSA-N 441.315 4.114 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)c(C(=O)NCc2ccccc2F)c1 525656311 JRHLXMQDDVHEGM-UHFFFAOYSA-N 441.846 4.499 5 20 IIBD O=C(COc1ccc(Br)cc1[N+](=O)[O-])N(Cc1ccccc1)CC(F)(F)F 530688040 JXTUBGNMPARWKD-UHFFFAOYSA-N 447.207 4.327 5 20 IIBD COc1cc(C(=O)Nc2cccc3ccncc23)c([N+](=O)[O-])cc1OCc1cscn1 531034808 BBPZRVGEZVHFJJ-UHFFFAOYSA-N 436.449 4.439 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)c1C 532449260 TWCODXHCYBUMEV-QGZVFWFLSA-N 441.509 4.225 5 20 IIBD O=C(O)[C@@H]1CCN(C(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C1 532676629 RPHPDGCXOAVNQA-YLQKULKDSA-N 437.477 4.068 5 20 IIBD O=C(CN1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1)Nc1ccccc1[N+](=O)[O-] 532682270 ATVATIVLZRSNEG-OAHLLOKOSA-N 441.875 4.116 5 20 IIBD O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3nnc(-c4ccc(Cl)cc4Cl)o3)C2)nc1 532707071 LUCOYUUAQVEGJH-GFCCVEGCSA-N 435.271 4.033 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(C)n1[C@H]1CCC[C@@H](C)C1 533887727 FZIQMNHZWMGOEB-IPYPFGDCSA-N 433.534 4.374 5 20 IIBD O=C1CCCN1c1ccc(Cl)c(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)c1 534817163 OASSMMDKTLFHGF-FQEVSTJZSA-N 431.901 4.263 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Br)cc1O 535727367 HBMAPJRBIKKYKZ-UHFFFAOYSA-N 427.276 4.054 5 20 IIBD CCOc1cc(C(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OC 543494365 FUKMGDHFQOZZCU-VQIMIIECSA-N 432.448 4.134 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@](C)(c2ccc(F)cc2)C(F)(F)F)cc1OC 543797667 QIVVBTJUWPTPAL-SFHVURJKSA-N 430.354 4.349 5 20 IIBD C[C@]1(CO)CCCN1C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 544774646 FKCJKGLAQKTGPD-HXUWFJFHSA-N 429.523 4.343 5 20 IIBD CC(C)c1ccc(-n2cnnc2SCc2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)cc1 546257722 VCKANFVVPCVPDB-UHFFFAOYSA-N 437.485 4.223 5 20 IIBD Cn1ccc([C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c2ccc(Cl)cc2)n1 547225603 DTUOZZQGCPUNTG-OAQYLSRUSA-N 439.903 4.101 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCc1ccc(NC(=O)NC(C)C)cc1 550596908 AWNJBPOWBNGGRC-UHFFFAOYSA-N 449.305 4.126 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H]2CCCOc3c(F)cccc32)cc1[N+](=O)[O-] 551432967 CFPBQPVKCLFHPD-QGZVFWFLSA-N 429.448 4.000 5 20 IIBD CC[C@@H]1CCCC[C@H]1c1noc([C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)n1 551532011 JPSINQKTPODUHE-GPMSIDNRSA-N 448.545 4.230 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)Nc3cc(S(C)(=O)=O)ccn3)cc2[N+](=O)[O-])cc1 551690371 HNFMKDVIUVPJQC-UHFFFAOYSA-N 443.506 4.105 5 20 IIBD C[C@@H]1C[C@H](CCN[C@@H](c2cccc([N+](=O)[O-])c2)c2nccn2C)CN1Cc1ccccc1 552062958 LIWHRXQIJZRVRA-IZIIKQMZSA-N 433.556 4.308 5 20 IIBD C[C@H]1CCCc2ccccc2[C@H]1NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 556538616 HBRAEWXRLQCVCK-SGTLLEGYSA-N 446.301 4.126 5 20 IIBD Cc1nc(SCC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c2c(C)c(C)sc2n1 558712689 DOYMODDOMDFQGH-UHFFFAOYSA-N 430.555 4.318 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 558885798 XXSLXIGARJRNPW-GMAHTHKFSA-N 446.555 4.364 5 20 IIBD COc1cc(CNCc2cc(Br)ccc2F)c([N+](=O)[O-])cc1OCC(F)F 560594641 FTKITDQUBCWVGX-UHFFFAOYSA-N 449.223 4.439 5 20 IIBD Cc1ccc2nc(COc3ccccc3C(=O)N(C)CCc3ccccc3[N+](=O)[O-])cn2c1 560993236 LJJIASBLVLVOHT-UHFFFAOYSA-N 444.491 4.445 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1 570585270 BWXTZOISJRMNMG-UHFFFAOYSA-N 428.876 4.264 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1cccc2ccccc12 579049422 MYPMZNUNVSYEFE-OAQYLSRUSA-N 445.431 4.036 5 20 IIBD Cc1nc(-c2ccc(CCNC(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)cc2)cs1 579782583 GVQFZDKWMFZZRO-UHFFFAOYSA-N 438.509 4.173 5 20 IIBD Cc1cc(OCc2nc(Cc3ccc(OCc4cccnc4)cc3)no2)ccc1[N+](=O)[O-] 579888565 CHTCERUDNIMGGA-UHFFFAOYSA-N 432.436 4.430 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])N1CCCCC1 582021030 OTEPGLGOVWBFAZ-JOCHJYFZSA-N 440.544 4.015 5 20 IIBD CSc1cccnc1-c1noc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 583466925 CLNYZDODVAKMFZ-HNNXBMFYSA-N 425.470 4.047 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl 585697659 LNJPMQYCDMCKIG-UHFFFAOYSA-N 440.681 4.273 5 20 IIBD C[C@H]1CCCCN1CCOc1ccccc1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] 586865713 OKMZDCJWVMETCF-IBGZPJMESA-N 425.529 4.163 5 20 IIBD COc1ccc(CN2CCCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC2)cc1 591455927 JAKIIDUBBPMAGX-UHFFFAOYSA-N 425.510 4.166 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604262397 BIKKWXXYBPAECP-TXEJJXNPSA-N 427.345 4.376 5 20 IIBD CC[C@H](C)C(=O)Nc1cccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 604442643 MNIZJUGADJBUBN-UONOGXRCSA-N 433.892 4.317 5 20 IIBD Cc1ccccc1-c1cc(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)n(Cc2ccccc2)n1 608943170 ARRRPYLLJTVMJH-UHFFFAOYSA-N 430.468 4.109 5 20 IIBD CCc1[nH]nc(C(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)c1[N+](=O)[O-] 609029396 QVYOJXAXQAWRIY-UHFFFAOYSA-N 434.283 4.425 5 20 IIBD COc1ccccc1[C@@H]1CCCN1C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 609036728 MUBDKVJNZGPRAM-NRFANRHFSA-N 434.496 4.442 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)Cc3nc4ccccc4n3C)cc2[N+](=O)[O-])C1 609533081 XMALZSDJRJBOAY-IAGOWNOFSA-N 435.528 4.236 5 20 IIBD COc1cc(CSCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)ccc1OC(F)F 609768878 MJFLHUQCHIVDDR-UHFFFAOYSA-N 440.424 4.436 5 20 IIBD COc1ccc(CNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cc1F 609854787 DTBYRZHYJUFMOU-UHFFFAOYSA-N 439.230 4.165 5 20 IIBD O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 609860237 BCUFZERODGWNHU-ZDUSSCGKSA-N 429.782 4.156 5 20 IIBD CC(C)(C(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 610045072 VFNJOLGHMBQMPN-UHFFFAOYSA-N 438.505 4.485 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 610101175 YPOYJTLAXLMUES-GOSISDBHSA-N 430.936 4.397 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2sc3cc(F)ccc3c2Cl)CC1 610118349 VNORHZMFOQDKSE-UHFFFAOYSA-N 447.875 4.200 5 20 IIBD Cc1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)ccc1N1CCNC1=O 610893331 XCDXGCQLTDHFGG-UHFFFAOYSA-N 437.481 4.117 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 611203640 DZGQPQABOCDVQB-UHFFFAOYSA-N 434.452 4.094 5 20 IIBD Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1 612504902 CEAIDVQLBXANAK-CQSZACIVSA-N 432.196 4.484 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N1Cc2cccc(Br)c2C1 618394571 RNAHXJZXVQHRHP-UHFFFAOYSA-N 432.093 4.337 5 20 IIBD O=[N+]([O-])c1cc(CNCCS(=O)(=O)Cc2ccccc2)ccc1Oc1ccc(F)cc1 725847903 HCTNVLLYONARDB-UHFFFAOYSA-N 444.484 4.231 5 20 IIBD Cc1nc([N+](=O)[O-])c(Br)n1CC(=O)Nc1ccccc1Cc1ccccc1 726431550 AHUIKKZHSQPUBC-UHFFFAOYSA-N 429.274 4.092 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Oc1ccc2c(c1)OCCCO2 726759632 DWSFWPXBDFJTEG-UHFFFAOYSA-N 429.372 4.473 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)c1csc(-c2ccc3c(c2)OCCO3)n1 731412885 VDRGKZRWBKNDPO-UHFFFAOYSA-N 442.449 4.245 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])c2ccccc2)cc1 731733888 PYBRMIWERRPFRW-HSZRJFAPSA-N 448.431 4.018 5 20 IIBD CN(Cc1ccccc1OC(F)(F)F)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] 731922037 ZWDBZRDHAQVELU-UHFFFAOYSA-N 440.346 4.126 5 20 IIBD CC(C)C[C@@H](C)Oc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2Br)ccn1 732306952 HJTRZFKOYOKQRJ-CYBMUJFWSA-N 436.306 4.496 5 20 IIBD O=C(O[C@@H]1CCCN(C(=O)c2ccccc2Cl)C1)c1cc2cc([N+](=O)[O-])ccc2o1 732610337 QGNCJYTZJAPMCP-OAHLLOKOSA-N 428.828 4.456 5 20 IIBD COc1c([N+](=O)[O-])cc(NC[C@H]2OCCc3ccccc32)c([N+](=O)[O-])c1Br 733191041 NFDRGZCTEBBKQQ-CQSZACIVSA-N 438.234 4.000 5 20 IIBD COc1ccc([C@@H](OC(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H](C)n2cccn2)cc1 734083158 JRGGFIBLDLBSKN-VFNWGFHPSA-N 427.482 4.438 5 20 IIBD O=C(Nc1cccc(OC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1)c1ccco1 734330807 TXFYCMZXVNEMKW-UHFFFAOYSA-N 435.436 4.262 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2CCCc3nc(C)ncc32)cc1 734799410 ZHCKTEZKZNAPEW-NRFANRHFSA-N 434.452 4.302 5 20 IIBD COc1cc(C(=O)OCc2ccc(Cl)cc2[N+](=O)[O-])cc(OC)c1Br 734885955 JKMUEFACGRHRMC-UHFFFAOYSA-N 430.638 4.385 5 20 IIBD O=C(Nc1nc2ccsc2s1)c1ccc(I)c([N+](=O)[O-])c1 735460664 DGSCKRGKOANGHF-UHFFFAOYSA-N 431.236 4.123 5 20 IIBD C[C@H](c1nc(-c2ccccc2)no1)N1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 735492469 YOWKBADZYOJSIO-OAHLLOKOSA-N 427.892 4.177 5 20 IIBD O=C(Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1)C1=NO[C@H](c2ccccc2)C1 735638452 VZBIGBQSZCSYRG-NRFANRHFSA-N 443.419 4.497 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)c1 741905538 BITCEWAHRHEFIN-UHFFFAOYSA-N 426.816 4.156 5 20 IIBD COc1ccc(OCCOC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)c([N+](=O)[O-])c1 744903034 VMDJIUCHXXSORE-CVEARBPZSA-N 436.258 4.092 5 20 IIBD C[C@@H](C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Br)s1 745640227 SETGCBDMVXWYQG-NXEZZACHSA-N 427.276 4.093 5 20 IIBD C[C@@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)NC[C@H](C)c1ccccc1 747956680 JTFMWJHDVBRFML-LSDHHAIUSA-N 439.493 4.184 5 20 IIBD COc1ccccc1Nc1nc2sc(C(=O)OCCn3cc([N+](=O)[O-])cn3)cc2s1 748111592 JVCMMTCPZDKXPL-UHFFFAOYSA-N 445.482 4.072 5 20 IIBD Cc1c(C(=O)NCCCCc2nc(-c3cccnc3)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 748310503 OXWBRADCKDQRTO-UHFFFAOYSA-N 441.469 4.083 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(N2CCc3sccc3C2)cc1 748692553 LSKQUVRVXXJUHW-UHFFFAOYSA-N 429.523 4.328 5 20 IIBD Cc1c(C(=O)NCc2ccccc2CN2CCC[C@H](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748713217 UINHJPHFLRREJN-HNNXBMFYSA-N 440.500 4.282 5 20 IIBD Cc1cccc(C(=O)NCc2cccc(NC(=O)c3cccc(C)c3[N+](=O)[O-])c2)c1[N+](=O)[O-] 750837584 NUMSXBMMVUPHFQ-UHFFFAOYSA-N 448.435 4.302 5 20 IIBD CN(C)C(=O)Sc1cccc(COC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 752541766 DRDSICORZSPBIB-UHFFFAOYSA-N 440.481 4.126 5 20 IIBD C[C@@H](OC(=O)c1c(F)ccc([N+](=O)[O-])c1F)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 752563934 VVBJJHXNSQDPBZ-LLVKDONJSA-N 434.395 4.286 5 20 IIBD Cc1cccc(OS(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)c1[N+](=O)[O-] 755283087 YRMAEFZKEUQPLJ-UHFFFAOYSA-N 437.367 4.088 5 20 IIBD C[C@@H](Nc1ccc(C(=O)OC2CCN(CC(F)F)CC2)cc1[N+](=O)[O-])c1ccccn1 755864953 IOSZKMLZEHSMDU-CQSZACIVSA-N 434.443 4.049 5 20 IIBD O=C(COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)N[C@H](Cc1ccccc1)c1ccccc1 756766942 DRTLVUMUZONIAK-JOCHJYFZSA-N 443.459 4.333 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1Br 757779144 BZZZPQFSBBVZEY-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD C[C@H](OC(=O)c1ccn(-c2ccc(Cl)cc2)n1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 757868560 VDVHRIAVKZPFQQ-NSHDSACASA-N 449.250 4.271 5 20 IIBD Cc1nn(CCC(=O)O[C@@H]2CCCOc3cc(Br)ccc32)c(C)c1[N+](=O)[O-] 757990782 KRUMPBHKEFARKL-OAHLLOKOSA-N 438.278 4.018 5 20 IIBD C[C@H](NC(=O)COC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc2ccccc12 758739767 MNLNQLDKSZMFRJ-HNNXBMFYSA-N 431.448 4.192 5 20 IIBD Cc1ccccc1-n1c(SCc2ccc(Cl)c([N+](=O)[O-])c2)nnc1N1CCOCC1 760150148 DFDMWABUFUHHSM-UHFFFAOYSA-N 445.932 4.266 5 20 IIBD COc1ccccc1[C@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccccn1 760682825 DCLOIEQGSDYIOS-IBGZPJMESA-N 442.269 4.280 5 20 IIBD COCCC1(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCCC1 761451409 NESGRTPCKGNKIV-LBPRGKRZSA-N 432.395 4.081 5 20 IIBD CC(C)(C(=O)OCCNC(=O)c1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1F 763019842 WCTQZYASKMRMDO-UHFFFAOYSA-N 442.365 4.004 5 20 IIBD O=C(NC[C@H](O)c1ccc(-c2ccccc2)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 768559850 QGYKKTKNRSXKBS-VWLOTQADSA-N 445.519 4.328 5 20 IIBD O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 770010655 TWKYTGBDIQRKTN-UHFFFAOYSA-N 438.271 4.179 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3csc(COc4ccc(F)cc4)n3)n2)c1 771394976 CHZMAMDZYCAZTR-UHFFFAOYSA-N 442.428 4.419 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCc2ccc(C(C)(C)O)cc2)c([N+](=O)[O-])c1 772232983 UERAVRIHAXNKGP-UHFFFAOYSA-N 448.475 4.452 5 20 IIBD Cc1c(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 775496069 QBLGNGZRVKAHPK-UHFFFAOYSA-N 443.397 4.120 5 20 IIBD CCN([C@@H](C)c1cc2ccccc2o1)S(=O)(=O)c1ccc(NC(=O)OC)c([N+](=O)[O-])c1 777908115 SZQHBLMEIDLGEJ-ZDUSSCGKSA-N 447.469 4.291 5 20 IIBD O=C(CCSCc1nc(O)c2ccccc2n1)OCc1ccc([N+](=O)[O-])cc1Cl 778333749 HCCPKGXSYNWJQS-UHFFFAOYSA-N 433.873 4.264 5 20 IIBD CN(C)[C@H](C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1c(F)cccc1Cl 780114130 FJXRAYANZRWFDH-SFHVURJKSA-N 433.823 4.388 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@@H]3CCCc4cn(C(C)C)nc43)cc2)c(C)c1[N+](=O)[O-] 780419099 WPLPSINDTKBKIF-HXUWFJFHSA-N 436.516 4.041 5 20 IIBD C[C@H](OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)N1c2ccccc2C[C@H]1C 781261430 UZJOTHATAWIIOP-CVEARBPZSA-N 426.472 4.204 5 20 IIBD O=[N+]([O-])c1ccc(CCc2nc(-c3cc(Br)cs3)no2)c([N+](=O)[O-])c1 781609941 HMDASAHAVDXWCP-UHFFFAOYSA-N 425.220 4.162 5 20 IIBD CC[C@@H](C)N(Cc1ccccc1)C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br 782957270 SNTJIAOAFOPIMQ-CQSZACIVSA-N 448.317 4.432 5 20 IIBD C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 783315529 IJTGWHIVGQGRCE-JTQLQIEISA-N 440.681 4.169 5 20 IIBD Cc1ccc([C@H](C)N[C@@H]2CCOC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 783638628 VQQSUXWDLJWQDH-NBYUQASBSA-N 433.549 4.358 5 20 IIBD COC(=O)Nc1ccc(CCNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1 783670205 PWUWMLBIIQHCAQ-UHFFFAOYSA-N 449.463 4.325 5 20 IIBD Cc1nc2ccc(Cl)cn2c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 785553789 JZCSPZUWQCTQPD-UHFFFAOYSA-N 434.783 4.024 5 20 IIBD Cn1c(COC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])nnc1-c1ccccc1 786472733 WQNZBRXNGGOINY-UHFFFAOYSA-N 444.447 4.326 5 20 IIBD O=[N+]([O-])c1ccc(Br)c(OS(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 786904420 GOKKOALPVUVEGL-UHFFFAOYSA-N 444.156 4.283 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(I)c1)c1ccc(Cl)nc1Cl 788107583 HBBHHPZFUPFNNF-UHFFFAOYSA-N 438.008 4.154 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(I)c1)c1csc(-c2ccoc2)n1 788109352 VCTNFFUDNRABNU-UHFFFAOYSA-N 441.206 4.168 5 20 IIBD Cc1cc(C)c(N2CC[C@@H](OC(=O)c3cccc([N+](=O)[O-])c3Br)C2=O)c(C)c1 789084204 UEHUHRDKOPLJAI-MRXNPFEDSA-N 447.285 4.245 5 20 IIBD C[C@H](OC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](C)c1cc2ccccc2o1 790746444 SZJLOIBWRWDZNA-NEPJUHHUSA-N 448.834 4.485 5 20 IIBD CN(C)CCOc1ccc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])cc1Cl 790746728 VBLXJDWXGLOIQL-UHFFFAOYSA-N 430.263 4.162 5 20 IIBD O=[N+]([O-])c1ccc(/C(O)=C(/C(=S)NCCCCC(F)(F)F)[n+]2cccc(O)c2)cc1 794847319 PJTNZKITEORTJP-UHFFFAOYSA-O 442.439 4.121 5 20 IIBD Cn1nccc1-c1cc(F)ccc1OS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 795258209 OPEGBGREUTUQMT-UHFFFAOYSA-N 446.243 4.209 5 20 IIBD COc1cc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)ccc1NC(=O)OC(C)(C)C 797435559 JXNNCWQHOYANGX-UHFFFAOYSA-N 431.445 4.276 5 20 IIBD Cn1ncc2c1C[C@H](C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1OCc1ccccc1)CC2 798358345 OQQAMWPXICXVRB-OAHLLOKOSA-N 440.887 4.304 5 20 IIBD O=C(OCc1c(F)cc([N+](=O)[O-])cc1F)c1csc(-c2ccc3c(c2)OCCO3)n1 803343854 HEKBGANMVWEMAU-UHFFFAOYSA-N 434.376 4.125 5 20 IIBD Cc1c(Cl)cccc1N1CCCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 804697951 WOKMUWIGSAMEPA-UHFFFAOYSA-N 430.892 4.230 5 20 IIBD Cc1cc(C(=O)N2CCOCC2)ccc1N(C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 809964110 LLVJZPBPEDPXLW-UHFFFAOYSA-N 438.311 4.319 5 20 IIBD C[C@@H](OC(=O)c1cc(N(C)C)c2ccccc2n1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 811325611 BSAAHRVCCIYHLU-GFCCVEGCSA-N 442.859 4.046 5 20 IIBD C[C@@H](OC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(c1nccs1)C1CCCCC1 812532044 FQCWCUCVWSIJJR-HMVFGEFZSA-N 429.498 4.362 5 20 IIBD CC(C)(CCc1noc([C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)n1)[N+](=O)[O-] 812815814 ACKNPVJARLHQDD-ZDUSSCGKSA-N 441.315 4.384 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 813241724 BDZLRGCDBHUNER-LJQANCHMSA-N 437.839 4.443 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CC[C@@H](Sc2cccc(Cl)c2)C1 815753897 WNBZXOWUXWCSHD-CQSZACIVSA-N 440.308 4.233 5 20 IIBD O=C(COC(=O)c1ccc(CN2CCCCC2)cc1)Nc1ccc(Cl)cc1[N+](=O)[O-] 913239269 HAWVSYIOAUITNW-UHFFFAOYSA-N 431.876 4.030 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 915241316 HFEHUXUSUMXXHX-UHFFFAOYSA-N 431.832 4.373 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)c1cc(-c2ccco2)on1)c1cccc([N+](=O)[O-])c1 918633532 OVIRVITUJFPSOO-MRXNPFEDSA-N 439.424 4.085 5 20 IIBD O=C(COC(=O)CSc1ccc([N+](=O)[O-])cc1)N[C@H](c1ccccc1)C1CCCC1 919038297 LZAFLFXVBCHRPH-JOCHJYFZSA-N 428.510 4.278 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 920706601 LBFHALNDSVBTIC-SECBINFHSA-N 446.765 4.460 5 20 IIBD Cc1cc(C(=O)Oc2ccc(N(C)S(=O)(=O)c3ccc(F)cc3)cc2)cc([N+](=O)[O-])c1 920838621 JTFFHXZCFHHILH-UHFFFAOYSA-N 444.440 4.087 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 1118273979 DKDMCFGKMXXZFY-UHFFFAOYSA-N 426.473 4.182 5 20 IIBD C[C@H](NC(=O)c1ccccc1NC(=O)CN1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 1318855600 YIYLTGCEKDXJTH-KRWDZBQOSA-N 444.491 4.040 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)Cc2c[nH]c3cnccc23)c2ccccc2)c([N+](=O)[O-])c1 1327789389 PPPBZQKKARGSQM-HSZRJFAPSA-N 444.447 4.245 5 20 IIBD O=[N+]([O-])c1cccc(CN(c2nnc(C3CCCCC3)n2C[C@H]2CCOC2)C2CC2)c1 1345098035 DCOJOOGIPMQTJZ-GOSISDBHSA-N 425.533 4.440 5 20 IIBD Cc1ncccc1C(=O)NC1(c2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2)CCC1 1790619154 VRLHLIJOOZEKFD-UHFFFAOYSA-N 446.463 4.065 5 20 IIBD Cc1c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(C)CC3)n[nH]2)cc(Cl)cc1[N+](=O)[O-] 1816663110 GMIKMAURDAOOOI-INIZCTEOSA-N 445.907 4.386 5 20 IIBD CC(C)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])[nH]n1 1821933872 GMSGKLDRBRHLFU-VSFZPWCASA-N 439.516 4.460 5 20 IIBD C/C=C/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cc(F)ccc2[N+](=O)[O-])CC1 1831367625 QIBVGCWVQWLZLN-AXVWPGNMSA-N 443.519 4.028 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cc(Cl)cc(Br)c1OC 10944727 HJIFLRNDDJJDFD-UHFFFAOYSA-N 444.669 4.079 5 20 IIBD Cc1sc2nc(SCC(=O)N(C)c3ccc([N+](=O)[O-])cc3)n(C(C)C)c(=O)c2c1C 12197231 ZZUANBRMYBRZCN-UHFFFAOYSA-N 446.554 4.319 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)Cc2coc3cc(C)c(C)cc23)c([N+](=O)[O-])c1 17008064 BONDYAKKIAQYCW-AWEZNQCLSA-N 426.425 4.079 5 20 IIBD COCc1c(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)sc2cccc(F)c12 18078305 PUDQXRZPRFUAFZ-UHFFFAOYSA-N 429.473 4.057 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 19160769 HLKWSKHWBRWACK-UHFFFAOYSA-N 439.493 4.371 5 20 IIBD COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c1 25915686 KXJPNGBBVUQENS-UHFFFAOYSA-N 442.859 4.149 5 20 IIBD O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 31487106 ZRVWQCGPLJTWBQ-UHFFFAOYSA-N 426.864 4.072 5 20 IIBD C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1 31929965 LBOJQONEROWHFN-HDICACEKSA-N 439.512 4.035 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1cccc(OC2CCCC2)c1 43730881 RLZVKCUCTKVYRY-UHFFFAOYSA-N 425.441 4.243 5 20 IIBD CC(C)(CNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1 59827409 BUTDDVWTTAOJDR-UHFFFAOYSA-N 431.876 4.030 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)cc1C 60443700 IJNUJGNKAZJKKD-UHFFFAOYSA-N 445.541 4.417 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1F 60487682 RVBAWUUEJYDBBX-UHFFFAOYSA-N 447.419 4.235 5 20 IIBD CCOC(=O)c1c(NC(=O)c2cc(OC)c(OCC)cc2[N+](=O)[O-])sc(C)c1CC 61438318 WXKPFRQCNSGXJB-UHFFFAOYSA-N 436.486 4.363 5 20 IIBD COC(=O)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 64722202 FZTBXSBHCDIYRV-NHYWBVRUSA-N 441.267 4.090 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccccc2CN2CCSCC2)cc1[N+](=O)[O-] 109483995 KBDVAOPEFPLUFT-UHFFFAOYSA-N 447.582 4.024 5 20 IIBD COc1ccc(CN[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 237302901 QEGRZPMYSJNGIP-KRWDZBQOSA-N 437.418 4.076 5 20 IIBD C[C@H](NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1C 237660807 FUXOFMJVXSLOEW-MOPGFXCFSA-N 447.539 4.327 5 20 IIBD O=C(NCc1ccc(F)cc1)C1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 301383303 VQOZSICXELCVGI-UHFFFAOYSA-N 436.281 4.029 5 20 IIBD C[C@H]1C[C@@H](C)CN(Cc2ccccc2CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 301865484 FWIUBIJRSHYHCX-CALCHBBNSA-N 431.558 4.088 5 20 IIBD Cc1cc(NC(=O)c2nc(C)n(-c3ccccc3C(C)C)n2)n(-c2ccc([N+](=O)[O-])cc2)n1 303211952 RPLCGFJJNGNPFB-UHFFFAOYSA-N 445.483 4.354 5 20 IIBD O=[N+]([O-])c1cnn(Cc2nc(C3(c4ccc(Br)c(Cl)c4)CCC3)no2)c1 426584149 NUCCORFNVPXRKK-UHFFFAOYSA-N 438.669 4.109 5 20 IIBD COCCn1nc(C)c(NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1C 431200909 BSIHOYNBCDMIDI-UHFFFAOYSA-N 425.445 4.491 5 20 IIBD C[C@H]1CCCCN1CCC1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 431490973 PPRJINJVALYRKJ-HNNXBMFYSA-N 438.366 4.474 5 20 IIBD COc1cc2c(c(OC)c1OC)CCN(C(=O)c1cc3cc([N+](=O)[O-])ccc3s1)CC2 431850210 VKMCPOLYLLSGIF-UHFFFAOYSA-N 442.493 4.076 5 20 IIBD CCCc1c(NC(=O)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cnn1-c1ccc(C)cc1 433446122 YZHVFTULJUEHLC-QGZVFWFLSA-N 449.511 4.166 5 20 IIBD O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N1CC2(CCC2)c2cc(Br)ccc21 434390690 YJSMVUKGYDXZAT-UHFFFAOYSA-N 427.258 4.316 5 20 IIBD O=C(NC[C@@H]1CCCN(c2ccccc2)C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 434510265 WGXYQMUPPXNVID-IBGZPJMESA-N 438.528 4.064 5 20 IIBD CCC[C@H]1CCc2nc(NC(=O)C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)sc2C1 434810735 ZWTOTOJOPFTBLS-KBPBESRZSA-N 430.530 4.081 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 435937239 OUEWPZZJMZHFFB-JOCHJYFZSA-N 426.472 4.430 5 20 IIBD CCCc1[nH]nc(C(=O)NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1[N+](=O)[O-] 437025786 STVFPYHBRNDBIN-UHFFFAOYSA-N 439.419 4.343 5 20 IIBD C[C@H](NC(=O)N[C@@H](C)[C@@H](OC1CCOCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 437404539 CASBHUAVRCHQSQ-PNLZDCPESA-N 427.501 4.280 5 20 IIBD CN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1Cl 439123179 ZJPLHENXXNHJDY-UHFFFAOYSA-N 429.782 4.050 5 20 IIBD COC(=O)c1cc(Br)cc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1Cl 440163151 UJNTWCUVVLYXFJ-UHFFFAOYSA-N 443.637 4.058 5 20 IIBD Cc1ccc(OCc2ccccc2)c(NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)c1 442223348 DTVVGJQFXUVZSU-UHFFFAOYSA-N 440.477 4.138 5 20 IIBD COc1cccc(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)c1[N+](=O)[O-] 444263152 CXSPUPIGRLCZFC-UHFFFAOYSA-N 446.463 4.446 5 20 IIBD C[C@H](NC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1cccc(OCc2ccccn2)c1 445259829 FARBCZXUVSLUIF-HNNXBMFYSA-N 446.467 4.006 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)Cc1noc(Cc2cccc([N+](=O)[O-])c2C)n1 445323048 VBWCHPJRBSROBJ-UHFFFAOYSA-N 430.848 4.029 5 20 IIBD O=[N+]([O-])c1cccc(-c2csc(NS(=O)(=O)Cc3ccc(Cl)c(F)c3)n2)c1 446807975 HNWUONPUOAPRKF-UHFFFAOYSA-N 427.866 4.453 5 20 IIBD O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCC(Sc2ccc(Cl)cc2)CC1 448173512 KZWKEKCTVPCKGH-UHFFFAOYSA-N 443.916 4.226 5 20 IIBD C[C@H]1CCO[C@H]1c1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)n1CCc1ccccc1 460444047 OFCMDYJUQUOYLK-PGRDOPGGSA-N 435.528 4.205 5 20 IIBD Cc1cccc(C(=O)N2CCN([C@H](C)c3ccc(Br)cc3)CC2)c1[N+](=O)[O-] 460587021 PIBMJHOAHGEHOB-OAHLLOKOSA-N 432.318 4.185 5 20 IIBD CCc1nc(C)c([C@@H](C)N(C)S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)s1 462330798 ADSVYMLONTUZMV-SNVBAGLBSA-N 448.364 4.066 5 20 IIBD CCc1cc(=NC(=O)c2cc(N3CCCC3=O)ccc2Cl)c2cc([N+](=O)[O-])ccc2[nH]1 462626979 OPYGCJDLJUHZSB-UHFFFAOYSA-N 438.871 4.160 5 20 IIBD Cc1c(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cnn1-c1cccc(Cl)c1 464662704 UGFZSKRIJBPHBX-UHFFFAOYSA-N 440.887 4.426 5 20 IIBD CCCCOC1CCN(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 465632573 ODGSQIOJQMOKIC-UHFFFAOYSA-N 432.443 4.016 5 20 IIBD O=C(Cn1c(-c2cscn2)nc2ccccc21)NCc1ccc([N+](=O)[O-])cc1Cl 466503091 FANMSSAGRXDGKL-UHFFFAOYSA-N 427.873 4.038 5 20 IIBD CCCNC(=O)c1ccc(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1Cl 467154246 FLCFTGRMGABDOH-UHFFFAOYSA-N 425.272 4.363 5 20 IIBD C[C@@H](CC(F)(F)F)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 467857242 WHOZXWQQZWSSAV-VIFPVBQESA-N 433.433 4.203 5 20 IIBD CCOc1ccc([C@@H](C)N[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1[N+](=O)[O-] 468823312 CPTLEMHCACUXRI-KUHUBIRLSA-N 433.455 4.114 5 20 IIBD CN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@H]1CCCN(Cc2ccccc2)C1 470672299 LNTWEFDLKCEMJU-QFIPXVFZSA-N 439.559 4.278 5 20 IIBD CC[C@@H](C)n1ncc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1C1CC1 477565787 DMPZHCPETXGYNR-FOIQADDNSA-N 439.516 4.191 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C 478307532 OUKZNIGTKOTINH-FOIQADDNSA-N 442.516 4.259 5 20 IIBD CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 479573945 LHYDUOPPYZHNSH-INIZCTEOSA-N 449.301 4.040 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccc(OCC(F)F)cc3)cc2)c(C)c1[N+](=O)[O-] 480380608 YBLDTYPXMWABEY-UHFFFAOYSA-N 430.411 4.353 5 20 IIBD C[C@@]1(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCCC[C@@H]1O 480988811 OITLUCBFPGASHY-DHLKQENFSA-N 448.523 4.047 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCSCC3)cc2C)cc1SC 483646472 UNPIBTYVNXFFAG-UHFFFAOYSA-N 433.555 4.439 5 20 IIBD COc1ccccc1-c1nc(C2CCN(CCCOc3ccc([N+](=O)[O-])cc3)CC2)no1 484325660 QIZMSJFPYPXOBW-UHFFFAOYSA-N 438.484 4.302 5 20 IIBD O=C(NC[C@H]1CCN(C2CC2)C1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 484468753 CNRZZMYFCAXRHM-OAHLLOKOSA-N 428.920 4.074 5 20 IIBD CCOc1cc(Br)c(F)cc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 485148889 PXQTXEVCRRHQGS-UHFFFAOYSA-N 449.236 4.333 5 20 IIBD COc1cc(Cl)c(Cl)cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 485926660 OFWQBEPPXYLQBF-LBPRGKRZSA-N 444.296 4.215 5 20 IIBD CC(C)[C@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)c1cccc(Cl)c1 486740394 VJEGGBMSMXGGOM-SFHVURJKSA-N 435.933 4.034 5 20 IIBD C[C@@H]1C[C@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCN1Cc1ccccc1 487831720 CURKVNOIUWGRIL-OXQOHEQNSA-N 430.936 4.143 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 488413948 DKZXTQZRYZZFGN-UHFFFAOYSA-N 438.918 4.054 5 20 IIBD Cc1ccc([C@H](C)NC(=O)NCCCNc2ccc(C(F)(F)F)cn2)cc1[N+](=O)[O-] 489325020 VZFZPXXZNIVMQU-ZDUSSCGKSA-N 425.411 4.179 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(OCCN2CCCC2)CC1 491173515 MMJNWQKZMWXFRN-UHFFFAOYSA-N 435.590 4.060 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)N1CC[C@H]([C@@H]2CCOC2)C1 495880880 FAELVLWKNVZRGS-DLBZAZTESA-N 429.904 4.359 5 20 IIBD CC(C)n1ccc(C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)n1 497796270 XJXTWHIJKKUGDF-UHFFFAOYSA-N 439.541 4.059 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 501143411 SSPRQBDKRPUCGP-UHFFFAOYSA-N 448.445 4.176 5 20 IIBD COc1cc(CN2CCC(N3CCc4ccccc43)CC2)c([N+](=O)[O-])cc1OC(F)F 502316052 BLAJXWDPQNMJAO-UHFFFAOYSA-N 433.455 4.232 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(-c2noc(C(F)(F)F)n2)c1 503880875 ABBUNCUYSFIFIP-UHFFFAOYSA-N 440.765 4.290 5 20 IIBD Cc1sc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)nc1-c1c[nH]c2ncccc12 503912224 SSKVIVZBICUDFF-UHFFFAOYSA-N 445.464 4.341 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)NCc2ccc(Oc3ccccc3)nc2)cc1[N+](=O)[O-] 503981397 JAJNBJSTQZTIEO-UHFFFAOYSA-N 433.873 4.222 5 20 IIBD CCOc1ccc([C@@H](C)NCc2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)cc1[N+](=O)[O-] 504905716 MUJVJUJSNXFCEN-CEXWTWQISA-N 427.545 4.454 5 20 IIBD CC(C)(CCCc1ccccc1)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 505294321 SZFIIJFQGCNYMG-SFHVURJKSA-N 443.569 4.426 5 20 IIBD CCOc1ccc(NC(=O)CN[C@H](c2c(F)cccc2F)C(F)(F)F)c([N+](=O)[O-])c1 506300410 RPZFYFHUJQRMPB-QGZVFWFLSA-N 433.333 4.103 5 20 IIBD O=[N+]([O-])c1cc(F)c(CN2CCO[C@@H](c3ccc(F)c(Br)c3)C2)c(F)c1 509154102 RACLUZFVWWWZQO-QGZVFWFLSA-N 431.208 4.348 5 20 IIBD CCN1CCC[C@@H](CN(C)c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1c1cnn(C)c1 509622460 WGESEWVGBQOFQJ-WMZHIEFXSA-N 449.559 4.003 5 20 IIBD COc1cc(C(=O)N[C@@H](C)c2c(F)cccc2F)c([N+](=O)[O-])cc1OCc1cscn1 509956989 PSAFNUOEAJPRFE-NSHDSACASA-N 449.435 4.408 5 20 IIBD O=C(c1ccc(Cl)cc1)N1CCC[C@H](C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)C1 509984297 HAODPKQDFHOIRW-KRWDZBQOSA-N 427.888 4.080 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1ccn(CCC(C)C)n1 510288252 FBCHTSUKRZUGRT-UHFFFAOYSA-N 442.257 4.003 5 20 IIBD C[C@H](Cc1cc(Br)ccc1F)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 511569428 ATAKBYVMHZEBBO-CYBMUJFWSA-N 438.297 4.312 5 20 IIBD COc1cc(CCNC(=O)N[C@H](C)c2ccccc2C(F)(F)F)c([N+](=O)[O-])cc1OC 514031465 SYABWHKBXFJXSY-GFCCVEGCSA-N 441.406 4.234 5 20 IIBD O=C(NC[C@H](c1ccco1)N1CCCC1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 514599462 QFIQPOHPBJLAKZ-JOCHJYFZSA-N 434.496 4.367 5 20 IIBD CCCN(CCC)C(=O)c1ccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 516788017 YNSGKZHKTHHYME-UHFFFAOYSA-N 439.921 4.311 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NC[C@H]1CCOc2ccccc21 517492867 UPQHQBPXWZWLAT-MRXNPFEDSA-N 439.493 4.374 5 20 IIBD C[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc(N2CCCC2=O)c1 519012684 FFHYQYFPSSYGJM-LBPRGKRZSA-N 434.399 4.206 5 20 IIBD C[C@H](NC(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1cccc([N+](=O)[O-])c1 522048827 CNGXKQIKERNEBL-KBXCAEBGSA-N 434.899 4.412 5 20 IIBD COc1ccccc1OCC(=O)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 522816726 YFCBLFLMSRWIPL-UHFFFAOYSA-N 434.408 4.067 5 20 IIBD COc1ccc(C(=O)NCC(=O)N[C@H](CC2CCCCC2)c2ccccc2)cc1[N+](=O)[O-] 523201730 MYSAOHQRDFUUIZ-HXUWFJFHSA-N 439.512 4.161 5 20 IIBD C[C@H](Oc1ccccc1NC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 524551701 RREZRMCDAJGMSO-KRWDZBQOSA-N 433.464 4.332 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCN(Cc2cccs2)C1 524799872 VYHTVXVXYNKROF-IBGZPJMESA-N 430.574 4.190 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC(OCC2CCCCC2)CC1 525158888 CIPNVDJCIOYHSH-UHFFFAOYSA-N 429.561 4.399 5 20 IIBD Cc1ccc(C)c(Oc2ccc(CNc3ccc([N+](=O)[O-])cc3S(C)(=O)=O)cn2)c1 530326502 YUZNVDRXJJQPOM-UHFFFAOYSA-N 427.482 4.415 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CS(=O)(=O)c3nc(-c4ccccc4)cs3)co2)cc1 535506128 BRWDEEBDCVZVAX-UHFFFAOYSA-N 427.463 4.347 5 20 IIBD CCOC(=O)c1sc2[nH]c([C@H](C)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)nc(=O)c2c1C 537178557 NVMGFTSKMQBAKE-OLZOCXBDSA-N 444.513 4.098 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cc1OC 538052650 UQCXKXDCKZKXKF-DNVCBOLYSA-N 438.839 4.055 5 20 IIBD COc1cc(CN2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC 538798458 GGDRPCZDCGGKMB-FPOVZHCZSA-N 425.529 4.099 5 20 IIBD CNC(=O)c1cccc(NCc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])c1C 538824031 ZRZRMBNGYNBDCB-UHFFFAOYSA-N 435.480 4.463 5 20 IIBD Cc1ccc([C@H](C)NCC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1[N+](=O)[O-] 540476412 NJFRASDTAADSKC-XDHUDOTRSA-N 441.528 4.229 5 20 IIBD Cc1cc(C(=O)NCC(=O)Nc2cccc(COCCc3ccccc3)c2)ccc1[N+](=O)[O-] 542951357 CBHVMXNUWYICOW-UHFFFAOYSA-N 447.491 4.031 5 20 IIBD CCc1ccc([C@H](NCc2ccccc2CN2CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 543407118 UVKHQOXOSWMIKD-RUZDIDTESA-N 435.524 4.462 5 20 IIBD O=C1[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCCN1Cc1ccccn1 543411918 CLSVWZVJKOUYEQ-HXUWFJFHSA-N 440.887 4.184 5 20 IIBD Cc1c([N+](=O)[O-])cnc(NCc2ccc(NC(=O)c3ccncc3)cc2)c1Br 543438211 JBEWPTZGBRRXON-UHFFFAOYSA-N 442.273 4.320 5 20 IIBD C[C@@H](C(=O)NC1(c2noc([C@@H]3CCOC3)n2)CCCCCC1)c1ccc([N+](=O)[O-])cc1F 543456845 DHPNDVVBBWQWEU-HUUCEWRRSA-N 446.479 4.090 5 20 IIBD C[C@@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)Oc1ccc(Br)cc1 544399860 QYSRXTZZORRJNA-RYUDHWBXSA-N 425.254 4.184 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3csc([C@H]4CCCO4)n3)n2)c(Br)c1 545017769 NUGKODJOEINUAN-CYBMUJFWSA-N 437.275 4.306 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)c(Cl)c1 545121566 MXUAEBUKPDIGDZ-UHFFFAOYSA-N 446.794 4.254 5 20 IIBD COCC[C@@H](Cc1cccc(Br)c1)c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 545786707 ZKYUSBQDIMYKIS-AWEZNQCLSA-N 447.289 4.089 5 20 IIBD CN(c1ccccc1)S(=O)(=O)c1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 546965228 ZIXSSZMAYUKVSE-UHFFFAOYSA-N 436.449 4.137 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2cccc(F)c2)C1 551527515 BEYIHXSZMKQXNJ-HNNXBMFYSA-N 432.473 4.019 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 552740530 LIHFLMAJBDZAPU-UHFFFAOYSA-N 437.402 4.182 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)Nc2nnc(-c3cccc(OC(F)(F)F)c3)s2)c1 552973228 NEOYMBGZPGPXPO-UHFFFAOYSA-N 440.359 4.273 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F 553058490 ZLIAIKXKECLODO-UHFFFAOYSA-N 436.365 4.253 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(C)cc1N(C)CC(=O)Nc1c(Cl)cccc1Cl 553238771 IWDPGUPIOZHJBV-UHFFFAOYSA-N 426.256 4.072 5 20 IIBD COc1ccc(CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1OC1CCCC1 555124943 DOZRXZQCLVWKEL-UHFFFAOYSA-N 427.501 4.309 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1N1CCCC[C@H]1c1nnc(C2CCOCC2)o1 557683085 VYJOQCZPYKEDBJ-HNNXBMFYSA-N 437.294 4.366 5 20 IIBD CN(C(=O)CCc1ncc(-c2ccccc2Br)o1)c1ccc([N+](=O)[O-])nc1 567022312 YTKGLFDFMMOBRS-UHFFFAOYSA-N 431.246 4.003 5 20 IIBD CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 571663569 ZXNXAQBIGBEZQE-UHFFFAOYSA-N 434.317 4.410 5 20 IIBD Cc1ccccc1C1(CNc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CCOCC1 573406730 UDPFABXZLOUPJW-UHFFFAOYSA-N 429.492 4.039 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CC[C@H](n3cc(Cl)cn3)C2)cc1[N+](=O)[O-])c1ccccn1 576914478 XOSLMHGTPCXHFI-PBHICJAKSA-N 440.891 4.100 5 20 IIBD CC(C)(CNc1cccc(C(N)=O)c1[N+](=O)[O-])c1ccc(Br)cc1Cl 582893406 XTGBUBJVDKHHJG-UHFFFAOYSA-N 426.698 4.499 5 20 IIBD O=C1N[C@H](c2ccc3c(c2)CCO3)C(=O)N1c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 584523242 OXWCABNABMXOMP-OAQYLSRUSA-N 431.404 4.120 5 20 IIBD COc1ccccc1[C@@H](Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)c1ccccc1Cl 600848242 BQBRECGPARSGIV-FQEVSTJZSA-N 447.900 4.106 5 20 IIBD C[C@H](NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 602259916 DHAHTONNWXVMCP-WSMBLCCSSA-N 449.554 4.012 5 20 IIBD COc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 609316035 ZCYPFPUAGZGJKC-QFIPXVFZSA-N 433.420 4.099 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(-c2nc(C3CCCC3)no2)c1 609474764 OBSIKSNAEAZWDF-UHFFFAOYSA-N 444.469 4.112 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N[C@@H](c1ccc(Cl)cc1)C1CCC1 609762541 ZHERHPMGLIBAAX-LJQANCHMSA-N 436.295 4.289 5 20 IIBD Cc1nc([C@H]2CCCCN2C(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)no1 609975740 RXFZYOSODVQMOP-ZRGWGRIASA-N 427.505 4.136 5 20 IIBD O=C(NCc1cccc(OCC(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1Br 610040160 GMLRLGFFHLJISQ-UHFFFAOYSA-N 433.180 4.228 5 20 IIBD CN1C(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3SC3CCCC3)cc2C1=O 611203576 TWOYIWQJXRMMCT-UHFFFAOYSA-N 425.466 4.108 5 20 IIBD O=[N+]([O-])c1ccc(CCSc2nc(O)c3cnn(-c4cccc(Cl)c4)c3n2)cc1 614467154 SWZDKZAGENQZDC-UHFFFAOYSA-N 427.873 4.418 5 20 IIBD CCN([C@@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1OC 619479818 QEUQIVVXVSJIRM-LBPRGKRZSA-N 432.420 4.394 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(CC[C@@H](O)c2ccccc2)cc1 727361051 SAXYRMVGUFYXHX-HXUWFJFHSA-N 442.493 4.070 5 20 IIBD COc1cccc(CC(=O)N2CCc3ccc(Nc4nc5ccccn5c4[N+](=O)[O-])cc32)c1 727432826 VLGDYBABBBYPFC-UHFFFAOYSA-N 443.463 4.127 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1(c2cccc(C(F)(F)F)c2)CC1 727560564 YMWKHQONIAXOFV-UHFFFAOYSA-N 433.342 4.439 5 20 IIBD O=C(Nc1ccc(F)c(F)c1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727586453 PCZKCLRRHCYSFI-UHFFFAOYSA-N 430.333 4.246 5 20 IIBD C[C@@H](c1ccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1)N1CCOCC1 730084697 IPCXFQUUBIXLEA-ZDUSSCGKSA-N 434.290 4.003 5 20 IIBD Cc1c(C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 730181593 SMNUPHFITMZTJV-UHFFFAOYSA-N 446.847 4.343 5 20 IIBD CC[C@@H](C)c1ccccc1OCC(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730708483 OLSRVPSSBGUZRY-QZTJIDSGSA-N 440.496 4.335 5 20 IIBD COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 731594466 ICYJQGFPKXRTJO-UHFFFAOYSA-N 426.859 4.050 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCC[C@H](N2CCCCC2=O)C1 732771525 FNJHNNCXNYLQOJ-SFHVURJKSA-N 439.537 4.363 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)cc2)nc1 733234342 FHDKCSMWVANHLS-UHFFFAOYSA-N 448.435 4.417 5 20 IIBD C[C@H](NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1nc2ccccc2s1 734156249 LACZWQJUZIOGIS-VIFPVBQESA-N 442.316 4.007 5 20 IIBD COc1cc(OCC(=O)Nc2cc(-c3ccccc3Br)no2)ccc1[N+](=O)[O-] 736680073 XNWZNLZWZDBZGO-UHFFFAOYSA-N 448.229 4.038 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)ccc1OC1CCOCC1 737994246 LLLHSNKPBIBLFC-UHFFFAOYSA-N 425.485 4.314 5 20 IIBD O=C(OCc1nc(-c2cccc(Cl)c2)no1)c1ccc([N+](=O)[O-])cc1Br 739552275 RLLGPLZDGARYRG-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC[C@@H](O)c1c(F)cccc1Cl 741290677 CRFGZVLVMVFKSH-OAHLLOKOSA-N 449.788 4.058 5 20 IIBD O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 741439441 GMTCSZAPGXIVKO-CQSZACIVSA-N 435.839 4.375 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C(=O)N[C@H](C)c1ccc(Cl)cc1 744563167 YOFJSWMERYEDNO-HUUCEWRRSA-N 445.903 4.271 5 20 IIBD COc1ccc(OCCOC(=O)c2cnc(Cc3ccc(F)cc3)s2)c([N+](=O)[O-])c1 744938551 PKKCEESINSUHNG-UHFFFAOYSA-N 432.429 4.026 5 20 IIBD COc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC 745568095 JWYAXYVFHUOWHC-JTQLQIEISA-N 427.331 4.059 5 20 IIBD C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)[C@H](O)c1ccc(F)cc1 750925349 WIKDGJIHADYABE-GLEZIHRCSA-N 431.645 4.002 5 20 IIBD CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1C 751633762 HELUCBXUBNAUTP-LBPRGKRZSA-N 438.889 4.302 5 20 IIBD Cc1ccc(C)c(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])c(Br)cc2F)c1 751691578 UKOZETGBUYNWBA-NSHDSACASA-N 439.237 4.297 5 20 IIBD CC(C)(NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1ccc([N+](=O)[O-])cc1 755019633 ZDIUXQKINPAUND-UHFFFAOYSA-N 426.198 4.070 5 20 IIBD O=C(NC[C@@H](O)c1cc2ccccc2s1)Nc1ccc(Br)c([N+](=O)[O-])c1 755023741 GAHVGAXXBNTXDZ-CQSZACIVSA-N 436.287 4.427 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C1CCN(C(=O)c2ccc(Cl)s2)CC1 756989109 MLVUPEICHOKMBC-UHFFFAOYSA-N 442.324 4.132 5 20 IIBD O=C(OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cncc(-c2ccc(Cl)cc2)c1 758112500 XAKGSNBUOMVPGL-UHFFFAOYSA-N 437.839 4.056 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccc([N+](=O)[O-])cn1 762266033 HYQFXMAKBYLHER-UHFFFAOYSA-N 442.409 4.056 5 20 IIBD O=C(NC[C@H](O)c1ccco1)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 762316911 BWLLOZZHWIWWQL-HNNXBMFYSA-N 441.490 4.412 5 20 IIBD C[C@@H](OC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 763421818 XEVRRPKFXLHKPC-HUUCEWRRSA-N 426.469 4.498 5 20 IIBD C[C@@H](OC(=O)c1ccc(Br)c(Cl)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 764098210 DLINVPNHHVBMAE-SECBINFHSA-N 427.638 4.195 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cccc(C3OCCO3)c2)cc1)c1cccc([N+](=O)[O-])c1 766756903 ATKZTLJPCJNJTP-UHFFFAOYSA-N 434.404 4.112 5 20 IIBD Cc1c(-c2cc(COC(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)on2)cnn1C 767425327 FXYQNLXJEKJPLB-UHFFFAOYSA-N 447.451 4.261 5 20 IIBD O=[N+]([O-])c1nn(CN2CCC[C@H]2c2cc(F)cc(Br)c2)cc1Br 767504236 SXRQVXUBIMOYMP-ZDUSSCGKSA-N 448.090 4.250 5 20 IIBD O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)OCc1ccccc1[N+](=O)[O-] 767507197 GQSHNLHPQFXLNP-UHFFFAOYSA-N 447.476 4.073 5 20 IIBD COc1ccc(C(C)(C)C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 767634823 VLIGPPHBBGEEJL-UHFFFAOYSA-N 440.374 4.082 5 20 IIBD COc1ccc(NC(=O)CCN2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)c([N+](=O)[O-])c1 767873107 AEAPZMDGCITAIW-HNNXBMFYSA-N 437.418 4.440 5 20 IIBD Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 768886409 CWPBUNUUWYTHQT-UHFFFAOYSA-N 446.485 4.458 5 20 IIBD COC(=O)c1ccc(OS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1Cl 768913538 RLTJKCBOGGCOJX-UHFFFAOYSA-N 440.644 4.109 5 20 IIBD O=[N+]([O-])c1ccc(OCc2nc(-c3csc(I)c3)no2)cc1F 770935045 NFRWEITXKQOWMP-UHFFFAOYSA-N 447.185 4.029 5 20 IIBD Cc1ccc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c(Br)n1 771450574 AXJIZBJAHNIUFR-UHFFFAOYSA-N 444.289 4.175 5 20 IIBD COc1ccc(C(=O)CCC(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)cc1F 773443729 VGADXOBPKBTMFT-UHFFFAOYSA-N 440.221 4.211 5 20 IIBD Cc1cnccc1OC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)CC1 773660533 HMXHGQXUGSAMTI-UHFFFAOYSA-N 438.528 4.218 5 20 IIBD COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc([N+](=O)[O-])ccc1Cl 778208893 YPQCIRCFNLGTIR-UHFFFAOYSA-N 430.766 4.082 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCO[C@@H](c2ccc(F)cc2F)C1 779443171 GSECSZUSHOHSGD-MRXNPFEDSA-N 442.216 4.241 5 20 IIBD CN(C)[C@@H](C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1c(F)cccc1Cl 780114129 FJXRAYANZRWFDH-GOSISDBHSA-N 433.823 4.388 5 20 IIBD CCc1cccc(C)c1NC(=O)COc1cc([N+](=O)[O-])ccc1I 780353886 KUFHJINSKDQKNT-UHFFFAOYSA-N 440.237 4.088 5 20 IIBD CC(C)(C)OC(=O)N1Cc2ccc(CNC(=O)CSc3ccccc3[N+](=O)[O-])cc2C1 781582327 LSLOAGWVOCEAMV-UHFFFAOYSA-N 443.525 4.254 5 20 IIBD Cc1nc(C)c(-c2csc(NC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)s1 781619913 KDRSCYXFDGNGQK-UHFFFAOYSA-N 433.471 4.271 5 20 IIBD COc1ccc([C@@H](C)NCCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1Br 782532671 YXLIRPDMMGIIBK-LLVKDONJSA-N 440.269 4.184 5 20 IIBD Cc1nn(-c2ccccc2)c2nc(C(=O)O[C@@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)ccc12 783410625 UBVAIEPRGNWCMM-WOJBJXKFSA-N 446.467 4.174 5 20 IIBD Cc1ccc(CC(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1Br 784498498 BPVDQEIVKGQTKS-UHFFFAOYSA-N 448.317 4.063 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 785658549 DJEZRLUUFWHTHM-CQSZACIVSA-N 425.363 4.407 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)OCC(=O)Nc3cc(F)ccc3F)cc2[N+](=O)[O-])C1 787424244 HQKQKTPKOPZHEJ-KBPBESRZSA-N 447.438 4.151 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)Cc1cccc(Cl)c1Cl 789244432 AFOIZIJZPROSGW-JTQLQIEISA-N 427.240 4.023 5 20 IIBD O=C(N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)c1cc(F)c([N+](=O)[O-])cc1F 789713069 CBSGROHXISWEQV-AWEZNQCLSA-N 444.221 4.105 5 20 IIBD Cc1ccc(C(=O)CCC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)s1 791175348 ZFTUTUKMDJCASO-UHFFFAOYSA-N 437.315 4.275 5 20 IIBD COc1cc(C(=O)Oc2ccc(-c3noc([C@@H]4CCCO4)n3)cc2)cc([N+](=O)[O-])c1C 791800601 UHUYWUZNSSUXAU-KRWDZBQOSA-N 425.397 4.033 5 20 IIBD Cc1cc(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)ccc1-c1ccc(Br)cc1 792837992 WSADEZJJSAINQV-UHFFFAOYSA-N 442.269 4.133 5 20 IIBD Cc1cc(C(=O)COc2c(Cl)cncc2[N+](=O)[O-])c(C)n1Cc1ccc2c(c1)OCO2 795247167 DPADCCAIFIIBES-UHFFFAOYSA-N 443.843 4.100 5 20 IIBD CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Oc2cc(F)c([N+](=O)[O-])cc2Cl)cc1 796208869 VQZAIUNFYMRULZ-UHFFFAOYSA-N 430.841 4.140 5 20 IIBD CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 810510854 SSAFFLYLKRNANO-DLBZAZTESA-N 437.924 4.148 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])ncc1Br)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C 813643850 CKTQXEAWVVKERT-HZPDHXFCSA-N 434.290 4.070 5 20 IIBD CN(C)c1cc(F)c(C(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)cc1[N+](=O)[O-] 813765904 NSEPUAAJXDPWKI-UHFFFAOYSA-N 428.439 4.440 5 20 IIBD O=[N+]([O-])c1cc(Cn2nc(Br)cc2Br)ccc1Br 814266067 VRCNOBCZEXAPPD-UHFFFAOYSA-N 439.889 4.127 5 20 IIBD Cc1nn(Cc2ccc(C(=O)n3ccccc3=Nc3ccccc3)cc2)c(C)c1[N+](=O)[O-] 814469613 QGNJMRPSFAAVFL-UHFFFAOYSA-N 427.464 4.179 5 20 IIBD CN(Cc1csc(Br)c1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] 814998492 LUXUWWSZTYSANN-UHFFFAOYSA-N 443.703 4.032 5 20 IIBD CC(C)[C@@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)N[C@@H]1CCOc2ccccc21 877196865 LNZIDNGIYFLJDU-VQIMIIECSA-N 432.860 4.070 5 20 IIBD CC(=O)c1cccc(NC(=O)[C@@H](OC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C(C)C)c1 877872484 GEDQSYSPPXLJSE-QRWLVFNGSA-N 444.509 4.485 5 20 IIBD C[C@@H](OC(=O)Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Cl)ccc2n1Cc1ccccc1 914627421 KJBMBCOFUSKZJQ-CQSZACIVSA-N 439.859 4.147 5 20 IIBD O=C(COC(=O)c1cc(-c2ccccc2Cl)[nH]n1)Nc1ccc(Cl)c([N+](=O)[O-])c1 914998364 YTEVTCGVZFLXEQ-UHFFFAOYSA-N 435.223 4.087 5 20 IIBD O=C(N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 916389685 NIIFJLCJONGTOE-FQEVSTJZSA-N 449.398 4.163 5 20 IIBD CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)[C@@H]1c1ccc(OC)cc1 916757853 DPDPQNBGRNUJRO-AVRDEDQJSA-N 443.475 4.461 5 20 IIBD COc1cc(CC(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)ccc1C 918632412 HGCSIILGQWOJPB-FQEVSTJZSA-N 440.496 4.083 5 20 IIBD C[C@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F)c1cccc([N+](=O)[O-])c1 920157994 MTQYNPZLLXNYRK-GUYCJALGSA-N 434.395 4.105 5 20 IIBD C[C@@H](OC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)c1cccc([N+](=O)[O-])c1 920158490 ODHMRRWVDXZIGH-TZMCWYRMSA-N 433.258 4.015 5 20 IIBD COc1cc(NC(=O)c2ccccc2)c(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1OC 920453795 GKGCMUOAEBXHOC-UHFFFAOYSA-N 449.463 4.137 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccnc(OCc3ccccc3)c2)cccc1[N+](=O)[O-] 920549780 GRHOJOCJHVKHMR-MRXNPFEDSA-N 435.436 4.061 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cc(Cl)ccc1OC(C)C 920619016 YZEYBYXEJXPTKB-GFCCVEGCSA-N 436.848 4.228 5 20 IIBD Cc1csc(=O)n1CCOC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 922678659 DZJICUYHZHHTJK-UHFFFAOYSA-N 447.900 4.249 5 20 IIBD Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1C 1318499890 SWJMZZHNNVQEIU-UHFFFAOYSA-N 426.860 4.077 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCCc2nc3ccccc3n2C)cc1 1318546516 DUQPEFHTSAOWCW-UHFFFAOYSA-N 446.463 4.255 5 20 IIBD Nc1c(C(=O)N(Cc2ccco2)Cc2cccs2)cc(Br)cc1[N+](=O)[O-] 1327148017 YAHDQSWVMKZKEP-UHFFFAOYSA-N 436.287 4.437 5 20 IIBD COc1ccc(NC(=O)N2CCC(O)(c3ccccc3C(F)(F)F)CC2)c([N+](=O)[O-])c1 1347507996 AFSOIVNFQJWBND-UHFFFAOYSA-N 439.390 4.138 5 20 IIBD Cc1ccnc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(O)c([N+](=O)[O-])c4)CCC3)cc2)c1 1788714287 WDTFAPVNNFCCHR-UHFFFAOYSA-N 446.463 4.065 5 20 IIBD CCC(=O)C(=O)NC1(c2ccc(NC(=O)C3(c4cccc([N+](=O)[O-])c4)CCC3)cc2)CCC1 1790476586 LEAMGOBMZCVGBY-UHFFFAOYSA-N 449.507 4.130 5 20 IIBD CCCC(=O)NC1(c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])c(OC)c3)cc2)CCC1 1790478260 ZWHXWKHIGFEWLW-UHFFFAOYSA-N 425.485 4.080 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC1CCCC1 1795415534 GPHYCNGMENBFGT-WKCHPHFGSA-N 427.545 4.136 5 20 IIBD Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2ccc(C)c([N+](=O)[O-])c2)cc1C 1800137960 JDWWYJORTJNELV-KOUNCHBCSA-N 435.524 4.015 5 20 IIBD O=C(Cc1cc([N+](=O)[O-])ccc1F)N1CCCC2(CCN(C(=O)C3CCCCC3)CC2)C1 1806655555 UXQNHAQBXISIRT-UHFFFAOYSA-N 445.535 4.088 5 20 IIBD CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3cccc([N+](=O)[O-])c3)n[nH]2)CCC1 1815535547 CMIMNCHBCYYCBA-LJQANCHMSA-N 439.516 4.133 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2cc(F)ccc2[N+](=O)[O-])n[nH]1 1823487949 FBWOYOIGURKSEF-IFXJQAMLSA-N 445.495 4.128 5 20 IIBD Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCC3CCC3)CC2)ncc1[N+](=O)[O-] 1824350682 NMFLSZPRIMRWQG-OAQYLSRUSA-N 442.560 4.112 5 20 IIBD CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)CCCC1 1830704978 PWOXIDGCJSHCKS-OAQYLSRUSA-N 443.544 4.114 5 20 IIBD C[C@@H](Sc1nnc(NCCc2ccccc2)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1 10776010 LTKWVKYGAIYNQM-CYBMUJFWSA-N 429.527 4.220 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccccc1I 10899784 RCPOUWYLIICYSR-UHFFFAOYSA-N 430.629 4.125 5 20 IIBD Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)OCc3ccccc3[N+](=O)[O-])c2)cc1 11163545 ROTZXGIHRHHLIH-UHFFFAOYSA-N 440.477 4.085 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)Cc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 15711481 XVCKHTXWQKWLSH-JTQLQIEISA-N 427.240 4.023 5 20 IIBD CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)ccc21 16811004 DWUGYONGGNIHNJ-GFCCVEGCSA-N 438.461 4.147 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)cc1OC 21901130 YAHIDFPFHDOBAT-UHFFFAOYSA-N 441.362 4.232 5 20 IIBD C[C@H](Sc1nnc(COc2ccc(Cl)cc2)n1C)C(=O)Nc1ccccc1[N+](=O)[O-] 22083621 OKCZSFXBWWXWOB-LBPRGKRZSA-N 447.904 4.075 5 20 IIBD O=C(Nc1ccc(Cl)cc1)c1ccccc1NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 32798142 IVSZIOYCMRMHKB-UHFFFAOYSA-N 447.856 4.007 5 20 IIBD CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1N 59362847 AWRLWXDHILVELD-UHFFFAOYSA-N 445.454 4.441 5 20 IIBD Cn1cc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 64769557 VYGKLNFOYBOFSF-UHFFFAOYSA-N 427.464 4.406 5 20 IIBD CCc1cc(Sc2nc3sccc3c(=O)n2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 64904918 ILGNFIDWOQXCOE-UHFFFAOYSA-N 425.495 4.074 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](Cc3ccc(C)cc3)C2)cc1OC 65162968 XKKNXBQNDVACDF-LJQANCHMSA-N 442.512 4.032 5 20 IIBD Cc1cc(=O)c(C(=O)N[C@@H](c2ccc(F)cc2)C(C)(C)C)nn1-c1ccccc1[N+](=O)[O-] 107891398 VGINCAYBFDDWHM-NRFANRHFSA-N 438.459 4.105 5 20 IIBD Cc1sc2nc(CS[C@@H](C)C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)[nH]c(=O)c2c1C 108285710 HETWTKNIDSNMAK-AAEUAGOBSA-N 446.554 4.009 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CC[C@@H](Nc3ccccc3)C2)cc1[N+](=O)[O-])c1ccccn1 110885475 XTKXBAYCZUEKKH-YLJYHZDGSA-N 431.496 4.490 5 20 IIBD COc1cc(CNCc2cccnc2-n2cccn2)c([N+](=O)[O-])cc1OCc1ccccc1 237225636 ODJMAXQAJSCIRY-UHFFFAOYSA-N 445.479 4.053 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(CNCc3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)C[C@@H](C)O1 237559945 PLPHBZOLJUPZAD-QZTJIDSGSA-N 449.507 4.394 5 20 IIBD CC(C)(C)OCc1cc(CNc2ccc(I)cc2[N+](=O)[O-])no1 302351210 BAPBMDSRRHTZED-UHFFFAOYSA-N 431.230 4.115 5 20 IIBD CC(C)CCOc1ccc([C@@H](C)NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 303170682 WRSKPGBRJXNKJM-SJORKVTESA-N 427.501 4.015 5 20 IIBD CCCNC(=O)c1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)c1 303847906 KBCJKHQFFABJIP-UHFFFAOYSA-N 431.448 4.218 5 20 IIBD O=[N+]([O-])c1cccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Br)c1 410353216 LANAWPUVCYBNSW-UHFFFAOYSA-N 425.182 4.177 5 20 IIBD O=C(NCCc1ccc(F)c(Br)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 425994730 IGMIKYJCSPMZHD-UHFFFAOYSA-N 436.281 4.413 5 20 IIBD C[C@H](O)[C@@](C)(CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Cc1ccccc1 426276131 HSXDOTGLEJWYBH-VBKZILBWSA-N 439.434 4.043 5 20 IIBD O=C1CCC(c2ccc(NC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])cc2)=NN1 426674731 MCOMEWGONDDPLE-UHFFFAOYSA-N 444.447 4.040 5 20 IIBD CN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 427462786 AKYXLQSGBSGYDF-NRFANRHFSA-N 448.870 4.086 5 20 IIBD O=C(NCC1(c2cccc(F)c2F)CCCC1)c1cc([N+](=O)[O-])ccc1SCCO 427575256 RYOABTOHNMGYIF-UHFFFAOYSA-N 436.480 4.199 5 20 IIBD C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 428777691 JKWGXTHRJBLZDK-IFXJQAMLSA-N 437.418 4.038 5 20 IIBD Cc1ccccc1C[C@@H](C)N(C)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C 430335078 FYFIWGYBNDTLCP-CYBMUJFWSA-N 448.317 4.002 5 20 IIBD C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1noc(-c2ccc(Cl)cc2)n1 431514750 TXWPZXJFYKUDBL-CYBMUJFWSA-N 429.864 4.368 5 20 IIBD COc1ccc([C@H](CNC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c2c[nH]c3ccccc23)cc1 433874028 UCOQCLCTVMINBZ-SFHVURJKSA-N 447.495 4.493 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)N1CCC[C@@H](OCCO)C1 434638856 VOMCPEWEGXKWRJ-MRXNPFEDSA-N 436.917 4.013 5 20 IIBD COc1cc(CN2CCOc3c(F)cccc3C2)c([N+](=O)[O-])cc1OCC(F)(F)F 435037655 YEVAOVIFZPIQCP-UHFFFAOYSA-N 430.354 4.078 5 20 IIBD Cc1occc1CN(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435478971 AOSVMNCWYKLALK-UHFFFAOYSA-N 431.495 4.306 5 20 IIBD CCCNC(=O)c1cccc(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1 436083519 WUKZMHQOFFIZOC-UHFFFAOYSA-N 449.457 4.029 5 20 IIBD CCCCOc1ccc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(C)c1 438656979 QAQMZELMFLEGOL-UHFFFAOYSA-N 427.501 4.458 5 20 IIBD COc1cc(CCC(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)ccc1OCC(F)(F)F 440608949 JIDKLHNGQYCNFL-UHFFFAOYSA-N 449.385 4.664 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 441707570 MUCGDVYGTLRZHG-UHFFFAOYSA-N 431.448 4.391 5 20 IIBD C[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[C@@H]1CCN(Cc2ccccc2)C1 444300806 JKDAOKVCGVGUPS-GHTZIAJQSA-N 425.532 4.322 5 20 IIBD CC(C)S(=O)(=O)Cc1ccc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1 445176604 FMPQALAMNBSEGC-UHFFFAOYSA-N 434.517 4.257 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@H]1CCCO[C@@H]1c1ccccc1 445923127 HBFPJZLBHKHBAJ-OXQOHEQNSA-N 433.302 4.184 5 20 IIBD COCCCOc1cc(C)ccc1CNC(=O)c1ccc([N+](=O)[O-])cc1Br 445936524 CIYNICZRNWIVOO-UHFFFAOYSA-N 437.290 4.011 5 20 IIBD COCCCOc1cc(C)ccc1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] 445945394 XYYYICAOLRCFRH-UHFFFAOYSA-N 437.290 4.011 5 20 IIBD COc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])cc2c1OCCO2 446424623 FJZSZIPBBLHSLO-UHFFFAOYSA-N 436.420 4.206 5 20 IIBD Cc1cc(Br)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 446989655 NOZWQHXVKZCAMJ-UHFFFAOYSA-N 439.209 4.485 5 20 IIBD COc1ccc(OC(F)F)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 447005638 HXZNKUQUGDKKLI-UHFFFAOYSA-N 442.318 4.024 5 20 IIBD COc1cc(C(=O)N2CCC(Nc3cccc(Br)c3)CC2)ccc1[N+](=O)[O-] 447694307 HGUKCYGWISGTGO-UHFFFAOYSA-N 434.290 4.083 5 20 IIBD CCOc1ccc(O[C@@H](C)c2nnc(N3CCc4ccc([N+](=O)[O-])cc4C3)n2CC)cc1 460182031 AKJNZPUZQRBOCY-INIZCTEOSA-N 437.500 4.308 5 20 IIBD Cc1nc([C@@H]2CCCN2c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CCc2ccccc2)no1 460423901 DJETZYSXZVDCGP-FQEVSTJZSA-N 445.483 4.129 5 20 IIBD Cc1nc(C)c(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)s1 461039284 YRYNEEXQFIYDCZ-UHFFFAOYSA-N 447.520 4.380 5 20 IIBD CO[C@](C)(CNC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1)C1CC1 462581729 QCHIOINTRVJLKW-JOCHJYFZSA-N 428.510 4.093 5 20 IIBD C[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)Oc1cccc(Br)c1 462934436 BDFYNTNRVXKAPR-AWEZNQCLSA-N 448.317 4.473 5 20 IIBD Cc1ccc(Oc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc34)cn2)cc1 463515296 JLMRSTPDAQGYKQ-UHFFFAOYSA-N 436.449 4.440 5 20 IIBD O=C(NCC(=O)N(CCc1cccc(F)c1)C1CCCC1)c1c(Cl)cccc1[N+](=O)[O-] 465097232 XEESBTWACXRITO-UHFFFAOYSA-N 447.894 4.131 5 20 IIBD COc1ccc(CSCC(=O)Nc2cc(F)ccc2Br)cc1[N+](=O)[O-] 466896764 FYZAEQLAJGXDJX-UHFFFAOYSA-N 429.267 4.377 5 20 IIBD CC(C)(NC(=O)Nc1ccccc1OCC(=O)Nc1cccnc1)c1ccc([N+](=O)[O-])cc1 467679754 BXJWSPJIBIJSNH-UHFFFAOYSA-N 449.467 4.064 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N(C)CC[C@H]2CCCO2)cc1[N+](=O)[O-] 468210193 LRGNGBYIILMASD-MRXNPFEDSA-N 428.510 4.189 5 20 IIBD COc1ccc(CCC(=O)N2CCCN(C/C(C)=C/c3cccc([N+](=O)[O-])c3)CC2)cc1 470181551 DUJSKMKGFTWQDI-LVZFUZTISA-N 437.540 4.174 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1 472558971 IYVWPDWUVMAGMQ-KRWDZBQOSA-N 433.848 4.293 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 472696896 FTJMAXSQLAMGIH-IRXDYDNUSA-N 439.365 4.144 5 20 IIBD C[C@H]1CCCN(c2nnc(SCc3ccc([N+](=O)[O-])cc3F)n2Cc2ccco2)C1 476467965 QDSOPVZQNSYZQB-AWEZNQCLSA-N 431.493 4.495 5 20 IIBD COC(=O)CN(C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(F)c1 482325762 CPVWPCUZGXBHIN-UHFFFAOYSA-N 446.378 4.051 5 20 IIBD COc1ncccc1Cc1noc(-c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1 482736521 XDWXIELKAATYGD-AWEZNQCLSA-N 432.440 4.207 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(C(=O)N3CCCC3)c2C)cc1SC 483608493 SIMLBRLEZUUMOO-UHFFFAOYSA-N 429.498 4.122 5 20 IIBD CCOC(=O)c1cc(NC2CCN(C(=O)[C@@H](CC)c3ccccc3)CC2)ccc1[N+](=O)[O-] 485832307 XWRLQRADZRRHQD-FQEVSTJZSA-N 439.512 4.368 5 20 IIBD COCCN(Cc1ccc(F)cc1Cl)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 485961419 UWDNDEMBYCKIOP-UHFFFAOYSA-N 435.883 4.276 5 20 IIBD O=C(Nc1ccc(Cn2cnc3ccccc32)cc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 486637376 CQQLORVAAIZTCO-UHFFFAOYSA-N 438.447 4.431 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1CSc2ccc(Br)cc21 487695563 NEUXMMONDBMHJZ-CQSZACIVSA-N 425.329 4.413 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 489607069 TWSRKWGETVCWLV-MRXNPFEDSA-N 446.500 4.208 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Nc2ccc(OCc3ccccn3)c(F)c2)cc1[N+](=O)[O-] 491585681 GFRJLRDEJCBOIR-UHFFFAOYSA-N 431.445 4.126 5 20 IIBD COc1ccc([C@H](NC(=O)Cn2cc([N+](=O)[O-])nc2C)c2ccc(C(F)(F)F)cc2)cc1 492023814 SOJVURBTSPIHCN-HXUWFJFHSA-N 448.401 4.033 5 20 IIBD COc1cc(CN2CCC3(CC2)OCCc2ccsc23)c([N+](=O)[O-])cc1OC(F)F 492894651 RBEADOAZXLAGJL-UHFFFAOYSA-N 440.468 4.330 5 20 IIBD CCCN(CCN(C)C)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 496242169 DNZLUUNAJLZBHN-UHFFFAOYSA-N 435.908 4.463 5 20 IIBD CC(C)(C(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1)c1ccccc1[N+](=O)[O-] 498179354 XQLRKGBQTLLQMW-KRWDZBQOSA-N 425.533 4.444 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]1c1ccc2c(c1)OCCO2 498494428 MLWWVSCNDQUDEN-QGZVFWFLSA-N 431.876 4.109 5 20 IIBD Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C3)cc1 500015714 FWHYZYOIBRRVMO-UHFFFAOYSA-N 445.479 4.328 5 20 IIBD C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 500189170 LLKJMOMUWLBYSH-OAHLLOKOSA-N 438.509 4.010 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOC[C@H]1c1nc2ccccc2s1 500687989 YYBKMMPMTIMXMJ-LPHOPBHVSA-N 425.510 4.373 5 20 IIBD COc1cc(C(=O)NCCCOc2ccc(Cl)cc2C)c([N+](=O)[O-])cc1OC(F)F 500997191 RIEGMPMOZSKOMB-UHFFFAOYSA-N 444.818 4.366 5 20 IIBD O=c1c([N+](=O)[O-])cc(Br)cn1Cc1csc(-c2ccc(Cl)cc2)n1 502132526 DNLHTVYVBXCKNA-UHFFFAOYSA-N 426.679 4.344 5 20 IIBD O=C(Nc1cc(CC2CC2)nn1-c1ccccc1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 502161484 GKOYJFOEKIIJEK-UHFFFAOYSA-N 429.436 4.239 5 20 IIBD COc1cc(CCNC(=O)N[C@@H](C)c2cccc(OC(C)C)c2)c([N+](=O)[O-])cc1OC 502520599 IPBDDPHZPKOUMN-HNNXBMFYSA-N 431.489 4.002 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1csc(I)c1 503296246 JTMDQGGXCRYIEJ-UHFFFAOYSA-N 430.267 4.312 5 20 IIBD Cn1cc(-c2nc([C@H]3CCCCCN3C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)no2)cn1 504521014 HJIABYCYPUFCAI-MRXNPFEDSA-N 445.867 4.181 5 20 IIBD CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 505447706 MQCZYAQJJGIIBX-UHFFFAOYSA-N 431.452 4.140 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)c([N+](=O)[O-])c1 507458925 YTLYNJYYHQOGIT-UHFFFAOYSA-N 444.553 4.385 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)[C@H](C)Cc1ccccc1C(F)(F)F 509762522 YXXHTPVYMUKUSE-CYBMUJFWSA-N 437.418 4.259 5 20 IIBD O=C(Nc1ccc(Br)c2cccnc12)c1ccn(-c2ccccc2[N+](=O)[O-])n1 511914622 OYHBMHLIWCHRKL-UHFFFAOYSA-N 438.241 4.344 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CC(N(C)Cc3ccccc3)C2)cc1[N+](=O)[O-])c1ccccn1 512416790 WHXCVLPNOGPXOW-SFHVURJKSA-N 445.523 4.119 5 20 IIBD O=C(N[C@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 512886697 KGAPQGCPLYGGLC-FQEVSTJZSA-N 445.479 4.375 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 514762836 UTBXFPXNZSCWQT-UHFFFAOYSA-N 445.475 4.014 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)NCCCc2ccc(Br)cc2F)c1 515045728 DOZWFFHWTGUQAU-UHFFFAOYSA-N 425.254 4.258 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N(CCc1ccccc1)Cc1ccccc1 516406564 SPCKNQZTHWGACS-UHFFFAOYSA-N 437.883 4.458 5 20 IIBD COc1cc([C@@H](C)NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)ccc1OCC(C)C 520971428 UQBYDPZTZCPNPY-MRXNPFEDSA-N 425.485 4.470 5 20 IIBD COc1ccc(F)cc1-c1csc(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)n1 522066714 WIBBNDGQCVKCNH-UHFFFAOYSA-N 440.412 4.372 5 20 IIBD CN(C(=O)CSc1ccccc1C(=O)NCc1cccc([N+](=O)[O-])c1)C1CCCCC1 522242418 VOCSZNKZIQFESK-UHFFFAOYSA-N 441.553 4.408 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)c([N+](=O)[O-])c1 522360848 WNHXODWHHSNUTG-NDEPHWFRSA-N 430.507 4.012 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N(Cc2ccc(Cl)cc2)C2CC2)ccc1[N+](=O)[O-] 522472459 SKBPKVFZADYIHZ-NRFANRHFSA-N 441.915 4.352 5 20 IIBD COCCc1ccc(S(=O)(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 522693885 NUQXHYSEPLZIRV-UHFFFAOYSA-N 428.466 4.377 5 20 IIBD CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)NCc1cccc([N+](=O)[O-])c1 523434980 FJQQZVMBGQPREH-UHFFFAOYSA-N 429.864 4.420 5 20 IIBD COc1cccc(N(CC(C)C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 533465847 LYVQPIYWWVENGP-UHFFFAOYSA-N 432.420 4.474 5 20 IIBD O=C(Nc1nc2ccsc2s1)c1cc(I)cc([N+](=O)[O-])c1 536552612 GMQVQBNFXFTPHV-UHFFFAOYSA-N 431.236 4.123 5 20 IIBD Cc1ccc(Sc2ccc(CN3CCC(N4CCCNC4=O)CC3)cc2[N+](=O)[O-])cc1 537632622 GREJFVNRYBIMLB-UHFFFAOYSA-N 440.569 4.434 5 20 IIBD CC(=O)c1cc(Br)cc(F)c1OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 542216599 CMUNIIKJMYENPA-UHFFFAOYSA-N 436.193 4.328 5 20 IIBD CCS(=O)(=O)N1CCC(CN[C@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 543626571 HLMAVJILEUBQQU-OAHLLOKOSA-N 437.587 4.036 5 20 IIBD Cn1cnnc1Sc1ccc(-c2nc(Cc3cccc(Cl)c3F)no2)cc1[N+](=O)[O-] 544840740 KBOWUKRJGKLDRN-UHFFFAOYSA-N 446.851 4.308 5 20 IIBD COc1cc(Cc2noc(C3(c4cccc(Br)c4)CC3)n2)ccc1[N+](=O)[O-] 545765189 YWBMPSQYUPMBAO-UHFFFAOYSA-N 430.258 4.420 5 20 IIBD COc1ccc(CCc2nc(Cc3ccc([N+](=O)[O-])c(OC)c3)no2)cc1Br 546465349 CQMDMLDSFUHYJM-UHFFFAOYSA-N 448.273 4.134 5 20 IIBD CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](Cc2ccccc2)C1 549355377 UANQNPYVCYVEMG-FQEVSTJZSA-N 435.528 4.349 5 20 IIBD CCC1(CC)CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCOC2)CCS1 549588367 YLXCPAYQHJASOK-MRXNPFEDSA-N 431.562 4.002 5 20 IIBD CC(=O)N1CCCc2cc(NC(=O)c3cc([N+](=O)[O-])cc(Br)c3C)ccc21 550563297 BBCXBOOCIXNXFF-UHFFFAOYSA-N 432.274 4.217 5 20 IIBD CS(=O)(=O)c1cc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc(C(F)(F)F)c1 551517013 ARYNAOSIAUPVQE-SFHVURJKSA-N 428.432 4.184 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC[C@@H]1CCO[C@H]1c1ccccc1 552828395 MGMFRYXXZBXZCI-YWZLYKJASA-N 437.418 4.310 5 20 IIBD O=[N+]([O-])c1ccc(OCCSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)cc1 552978725 SXFKAJBKAZDQOV-IBGZPJMESA-N 444.488 4.343 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)s1 553241505 GIVLSHJXPUPFJJ-LBPRGKRZSA-N 434.461 4.463 5 20 IIBD CC(C)[C@@H](CNCc1cc(I)cc([N+](=O)[O-])c1)c1cccnc1 567549159 GCPQNXTYBSZGMU-QGZVFWFLSA-N 425.270 4.124 5 20 IIBD O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 575237565 WLLPMADDGIGCDC-UHFFFAOYSA-N 447.426 4.028 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N(CC(=O)O)Cc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] 580689275 MAINZZUFYGGVBP-CYBMUJFWSA-N 439.390 4.279 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 581041351 NAPPRBKYYOXLNH-SJORKVTESA-N 446.454 4.182 5 20 IIBD O=C(c1cc(C(=O)N2CCC(C3CC3)CC2)cc([N+](=O)[O-])c1)N1CCC(C2CC2)CC1 590430695 WLESKKTVHQEJEW-UHFFFAOYSA-N 425.529 4.119 5 20 IIBD COc1ccc([C@@H](Nc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)c2ccccc2Cl)cc1 600848370 FTZVWIFIFKIZBM-HXUWFJFHSA-N 447.900 4.106 5 20 IIBD CCN(CC)CCCNc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] 603475412 HGDOGDJEPFOABW-UHFFFAOYSA-N 434.562 4.156 5 20 IIBD CCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 603730557 PNIPQMYUHRWZIS-UHFFFAOYSA-N 431.470 4.014 5 20 IIBD Cc1cc(=O)c(C(=O)N2CCCCC[C@H]2c2ccccc2)nn1-c1ccccc1[N+](=O)[O-] 603969114 DHOAZRWKCQUKRI-IBGZPJMESA-N 432.480 4.207 5 20 IIBD CCC[C@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2sccc2C1 608901429 WBXBEVCXDRFHHV-KSSFIOAISA-N 447.582 4.007 5 20 IIBD Cc1cccc(CCNC(=O)c2ccc(C(=O)NCCc3cccc(C)c3)c([N+](=O)[O-])c2)c1 609044100 GKZDIXXAWHABBF-UHFFFAOYSA-N 445.519 4.157 5 20 IIBD CCC[C@@H](NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-])c1ccccn1 609218571 UGLMSXJHOALQSA-QGZVFWFLSA-N 442.497 4.305 5 20 IIBD O=C1[C@H](Sc2ncnc3sc4c(c23)CCCC4)CCN1c1cccc([N+](=O)[O-])c1 609450098 WQJBVXYKBUWXED-MRXNPFEDSA-N 426.523 4.376 5 20 IIBD CCCCOc1ccc([C@@H](C)N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC 609450895 AQOLUHZYQRXHIH-UZLBHIALSA-N 427.501 4.238 5 20 IIBD CC(C)c1nccn1Cc1cccc(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)c1 609493961 FUQTWYOILVHERD-UHFFFAOYSA-N 431.452 4.469 5 20 IIBD C[C@@H](CC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C(=O)c1ccccc1 609568198 CBMFFORCPZTRPT-HNNXBMFYSA-N 449.429 4.171 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N3CCS[C@H](C)[C@@H]3C)c([N+](=O)[O-])c2)c(C)c1 609823351 UXXNECLMTGTTQL-JKSUJKDBSA-N 435.571 4.343 5 20 IIBD CCc1ccc(-c2nc(CC(=O)Nc3cc(C(=O)OC)cc([N+](=O)[O-])c3)cs2)cc1 609884583 MKTIYEVFEFHZGO-UHFFFAOYSA-N 425.466 4.249 5 20 IIBD CCOC(=O)c1ccnc(Sc2nnc(-c3ccccc3F)n2CC(C)C)c1[N+](=O)[O-] 609960140 CZAZNMGGTDKIHH-UHFFFAOYSA-N 445.476 4.371 5 20 IIBD Cc1ccc(NCCCNC(=O)c2ccccc2-c2nc(C(C)(C)C)no2)c([N+](=O)[O-])c1 610056439 QWVGPDJHTOJTTD-UHFFFAOYSA-N 437.500 4.483 5 20 IIBD O=C1[C@H](Nc2ncnc3ccc([N+](=O)[O-])cc23)CCCN1Cc1cccc(C(F)(F)F)c1 611714727 YVDGMEIGSSASJA-GOSISDBHSA-N 445.401 4.160 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1OC 619564179 VNCRLZMOTCQGTA-UHFFFAOYSA-N 443.481 4.313 5 20 IIBD C[C@H](OC(=O)c1occc1CN1c2ccccc2C[C@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] 728687648 KJAFNCSOGBLMIH-CVEARBPZSA-N 449.463 4.323 5 20 IIBD C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)c1 729526072 WLORDSQNDOUPFX-JKSUJKDBSA-N 432.498 4.076 5 20 IIBD C[C@@H](OC(=O)c1ccc2[nH]ccc2c1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 730854826 VFHQHBODDASIPA-GFCCVEGCSA-N 436.449 4.384 5 20 IIBD COc1ccc(C2=N/C(=C\c3csc(-c4cccc([N+](=O)[O-])c4)n3)C(=O)O2)cc1OC 733088176 XEIGAVCELAJEJJ-YBEGLDIGSA-N 437.433 4.080 5 20 IIBD CC(C)(C)C(=O)Nc1ccccc1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 733504156 JUXJMWZKZYOSRA-UHFFFAOYSA-N 433.848 4.028 5 20 IIBD O=C(Cc1csc(-c2ccc3c(c2)OCO3)n1)OCc1cc([N+](=O)[O-])ccc1Cl 734779971 NCXJHOZXOHGCBK-UHFFFAOYSA-N 432.841 4.386 5 20 IIBD CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3F)cc2)c1 737646481 FSMVCJZJRWQVPB-UHFFFAOYSA-N 430.413 4.182 5 20 IIBD CC(C)[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)N[C@@H]1CCCC[C@H]1C 740410339 OFUWDLBBLHFWKK-JLZZUVOBSA-N 441.322 4.234 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCCN(C(=O)OC(C)(C)C)c3ccccc32)c1 741953619 FIFOMOZDKARQDM-UHFFFAOYSA-N 427.457 4.395 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 741957316 LGQDUJVNQJFVSJ-ADLMAVQZSA-N 437.861 4.198 5 20 IIBD CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)c2ccccc2O1 741999127 HICUOQBQFKNIHT-GFCCVEGCSA-N 438.221 4.017 5 20 IIBD Cc1ccc(SCCOC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1C 745028495 JNZFERCVCSBEQW-MRXNPFEDSA-N 434.539 4.213 5 20 IIBD O=[N+]([O-])c1cccc([C@@H](O)CSc2nnc(-c3ccc(F)cc3)n2Cc2ccco2)c1 749683737 ADJJSMYSTDBVIV-IBGZPJMESA-N 440.456 4.459 5 20 IIBD COc1ccccc1NC(=O)c1ccc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1 750564817 UWASBSOOZRZNJT-UHFFFAOYSA-N 427.363 4.386 5 20 IIBD C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)[C@@H](O)c1ccc(F)cc1 750925351 WIKDGJIHADYABE-VXJOIVPMSA-N 431.645 4.002 5 20 IIBD CSc1cc2c(cc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)OCCO2 751199398 NQCPQBRMVYOIJR-UHFFFAOYSA-N 425.260 4.103 5 20 IIBD Cc1nn(-c2ccccc2)c2ncc(C(=O)OCc3nc4cc([N+](=O)[O-])ccc4o3)cc12 751647258 LTILZRVOBFFDMV-UHFFFAOYSA-N 429.392 4.135 5 20 IIBD Cc1cc(COC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nc(-c2ccc(Cl)cc2)n1 751682027 UNNQXCXDLFJGND-UHFFFAOYSA-N 428.788 4.279 5 20 IIBD COc1ccc2cccc(CC(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2c1 754305812 MMYGNBOBNMQFNW-UHFFFAOYSA-N 428.828 4.134 5 20 IIBD CN(C)C(=O)c1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1Cl 754994601 UGUSGKRIUCYTIL-UHFFFAOYSA-N 444.644 4.104 5 20 IIBD COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1OC[C@@H](O)c1ccc(OC(F)(F)F)cc1 755329647 YKMUVEMNYSZCIR-CQSZACIVSA-N 435.738 4.046 5 20 IIBD Cc1cccc(Cl)c1NC(=O)COC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 757687725 KPPBFVSWIMJECE-UHFFFAOYSA-N 446.765 4.293 5 20 IIBD Cc1cc(F)cc(C(=O)NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c1[N+](=O)[O-] 758467718 VMLGVOXKHCYBGK-UHFFFAOYSA-N 425.391 4.364 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccccc1CCC(F)(F)F 758926286 HSCZPHHFJZKZLU-LBPRGKRZSA-N 440.374 4.282 5 20 IIBD CN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H](c1ccc(Cl)cc1)C(F)(F)F 759100101 XTHBLFHANDPXQF-KRWDZBQOSA-N 426.782 4.360 5 20 IIBD C[C@H](Oc1ccccc1Br)C(=O)O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 759931320 LQQDGSMGLGEIBP-BJJXKVORSA-N 438.278 4.048 5 20 IIBD O=C(OCCc1ccccc1[N+](=O)[O-])C1(c2ccc(Br)cc2)CCOCC1 762691536 NRIOYBZFJGBDPY-UHFFFAOYSA-N 434.286 4.191 5 20 IIBD CC(C)C(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cc1 762991931 YLEWCQDWNSVOIM-AWEZNQCLSA-N 444.459 4.421 5 20 IIBD C[C@@H](C(=O)OCc1noc(Cc2ccc(Br)cc2)n1)c1cccc([N+](=O)[O-])c1 763421397 VJKSTPKWHBVFLW-GFCCVEGCSA-N 446.257 4.178 5 20 IIBD CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 764144440 ZGFZHWJHZAVXHZ-UHFFFAOYSA-N 449.891 4.135 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl 764216771 WTDIKMHEVDHRRU-MRXNPFEDSA-N 445.324 4.104 5 20 IIBD Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 767817150 HGZAYRTWQXVDTG-CYBMUJFWSA-N 446.982 4.305 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1nc(-c2cc(F)c(F)c(F)c2)no1 767982395 LVYBBKDRZFEZNS-VIFPVBQESA-N 439.371 4.286 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)OCc1nc(C2CCCCC2)cs1 768698694 LEVOGCMPCUKYSO-UHFFFAOYSA-N 434.470 4.042 5 20 IIBD Cn1cc(CN(Cc2ccccc2)C[C@@H](O)c2ccco2)c(-c2ccc([N+](=O)[O-])cc2)n1 769539432 KCVDNCOKIUAQJY-JOCHJYFZSA-N 432.480 4.324 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)CCC(=O)c2ccccn2)c2ccccc2)c([N+](=O)[O-])c1 770490998 RKRSDWOFOHGWSC-QHCPKHFHSA-N 447.447 4.184 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3sc(NC(=O)OC(C)(C)C)nc3C)n2)c1 771392746 ZZFFLZMUXMZRPT-UHFFFAOYSA-N 447.473 4.356 5 20 IIBD O=C(Nc1cccc(F)c1)c1cccc(NC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)c1 771505124 WYOJWVFMMBEWLK-UHFFFAOYSA-N 437.412 4.243 5 20 IIBD C[C@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2cccc(F)c2)no1 771888748 FDIGJGZIPDBOGN-ZDUSSCGKSA-N 426.404 4.302 5 20 IIBD COc1cc(/C=C(/C)c2cnccn2)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 774135788 SDZBIPNCUQHZLP-GDNBJRDFSA-N 441.465 4.030 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc2c1N(C(=O)c1ccn(-c3ccc([N+](=O)[O-])cc3)n1)CC2 775294557 DFKAQCQMGMTAQD-UHFFFAOYSA-N 449.467 4.330 5 20 IIBD O=C(NCCc1ccc(OC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Cl)cc1 776276079 GLBVVNASHCMYMB-JOCHJYFZSA-N 440.883 4.333 5 20 IIBD COc1ccc(-n2c(SC[C@H](O)c3ccc([N+](=O)[O-])cc3)nnc2-c2ccccn2)cc1 776278493 UAIBJPDWLRPTKC-FQEVSTJZSA-N 449.492 4.072 5 20 IIBD C[C@@H](N[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1ccc(N)c([N+](=O)[O-])c1 788615083 UXFABWHUMALZDX-IVZQSRNASA-N 425.510 4.021 5 20 IIBD CC(C)c1ccc(CNCc2ccc(N3C(=O)N[C@](C)(C4CC4)C3=O)cc2)cc1[N+](=O)[O-] 790608668 MOSPQFDRQPEJJE-XMMPIXPASA-N 436.512 4.233 5 20 IIBD CC(C)Cc1ccccc1C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 792526704 UPSFQUAEPULLRR-UHFFFAOYSA-N 445.522 4.335 5 20 IIBD Cc1ccc2cccc(NS(=O)(=O)c3cc(Br)c(F)cc3[N+](=O)[O-])c2n1 795317553 RIPRHWIVTAIMSI-UHFFFAOYSA-N 440.250 4.154 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])Cn1nc(-c2ccc(F)cc2)c2ccccc2c1=O 795645127 QHMIVQCFZFLRCW-UHFFFAOYSA-N 432.455 4.243 5 20 IIBD CC(C)(C(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1)S(=O)(=O)c1ccc(Cl)cc1 805704166 GQXMZJZTMHFMDO-UHFFFAOYSA-N 432.281 4.197 5 20 IIBD C[C@H](OC(=O)[C@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 808228578 UXTLOCYIPAUYOP-SGTLLEGYSA-N 432.395 4.389 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2-c2nc([C@H](C)CNC(=O)c3ccccc3)no2)CC1 809430637 IQTDAFGKLAKIOO-QGZVFWFLSA-N 449.511 4.415 5 20 IIBD CCOC(=O)[C@@H](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccc(OC)c(F)c1 809980501 OLUSDOJBUMPEPU-INIZCTEOSA-N 431.247 4.443 5 20 IIBD C[C@@H](C(=O)OC[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)c1ccc([N+](=O)[O-])cc1F 813151941 BZARPNWRJODLIT-OLZOCXBDSA-N 446.422 4.273 5 20 IIBD O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CCCC[C@H]1c1nc2ccccc2o1 815024696 KIOCCLAGFUMYKT-AWEZNQCLSA-N 439.852 4.444 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C(=O)NCc1ccccc1Cl 815510601 DIXQSIMAMJTACK-SNVBAGLBSA-N 430.766 4.129 5 20 IIBD O=C(OCC[C@@H](c1ccccc1)C(F)(F)F)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 816475208 YMELQUACQMFDJB-GJZGRUSLSA-N 440.374 4.072 5 20 IIBD Cc1cc(Oc2ncccn2)ccc1NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F 821163308 OWYBIISSTWVAJA-UHFFFAOYSA-N 438.824 4.079 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cc([N+](=O)[O-])c(F)cc1F 897556497 QCLYRUGCWKJWRZ-UHFFFAOYSA-N 434.277 4.241 5 20 IIBD CCOc1ccc(-c2nc(C(=O)OCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cs2)cc1 914993831 RIBINETZYPATNT-UHFFFAOYSA-N 445.428 4.052 5 20 IIBD O=C(COC(=O)c1cc(-c2ccccc2Cl)[nH]n1)Nc1cc([N+](=O)[O-])ccc1Cl 914997991 RCRFDCYYPRYVDV-UHFFFAOYSA-N 435.223 4.087 5 20 IIBD COc1ccc(CSCC(=O)OCc2cc(-c3ccc(F)cc3)no2)cc1[N+](=O)[O-] 915388427 OVLNMFRPUDVVCE-UHFFFAOYSA-N 432.429 4.374 5 20 IIBD C[C@@H](OC(=O)CCCc1nnc(-c2ccccc2)o1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 915507082 FCZRDUOIBFALJG-CQSZACIVSA-N 449.423 4.322 5 20 IIBD CCOC(=O)N[C@H]1CCCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 917189244 BKBKZBWVRCQLDC-KRWDZBQOSA-N 443.525 4.405 5 20 IIBD C[C@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(=O)Nc1cccc(Br)c1 919212059 RGKPVYBAVDFVRM-JTQLQIEISA-N 433.214 4.288 5 20 IIBD O=C(OCC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)c1csc([N+](=O)[O-])c1 919368376 SZJXQRKPZILMPP-AWEZNQCLSA-N 429.281 4.484 5 20 IIBD CC(C)COC(=O)Nc1cccc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 920225605 GKKHUWGVDGFUSK-UHFFFAOYSA-N 437.456 4.452 5 20 IIBD CCc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)n2)cc1 1248398546 DWZOMXHKEDJZJB-GFCCVEGCSA-N 427.486 4.070 5 20 IIBD Cc1nn(Cc2ccc(-c3nnc([C@@H](C)CN4CCC(C)CC4)o3)cc2)c(C)c1[N+](=O)[O-] 1325798955 VYTNPOYDNWIKKS-INIZCTEOSA-N 438.532 4.342 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1)c1ccc2c[nH]nc2c1 1785748707 CAIXQXBJFHYLEB-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD O=C(Cc1cccs1)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1 1788228631 BBGZFAHGXLNBMZ-UHFFFAOYSA-N 425.466 4.240 5 20 IIBD O=C(Cc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC1CCC1 1793372178 SKYAYLXTIYEUFN-REPLKXPHSA-N 433.936 4.009 5 20 IIBD C[C@@]1(C(=O)N2CCC3(CCCN(C(=O)/C=C/c4ccc([N+](=O)[O-])o4)C3)CC2)CC=CCC1 1805685306 JJRLLXWJDNRZFX-AVAOGFIGSA-N 441.528 4.179 5 20 IIBD Cc1cc(C(=O)N2CCCC3(CCN(C(=O)c4cccc(F)c4[N+](=O)[O-])CC3)C2)c(C)o1 1808258584 KNGUCEPQAGSAGC-UHFFFAOYSA-N 443.475 4.102 5 20 IIBD O=C(C[C@@H]1C[C@@H]2CC[C@H]1C2)Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1 1822015141 RXMUYHZRJCPNFB-WBTNSWJXSA-N 441.488 4.043 5 20 IIBD Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)C(C)(C)C)CC2)cc1[N+](=O)[O-] 1830363414 ZOMRLFYCKFWSEX-HXUWFJFHSA-N 429.561 4.112 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCCC23CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C3)s1 1843559790 ICBLHXAOQJSNNN-UHFFFAOYSA-N 445.516 4.224 5 20 IIBD O=C(Nc1cccc2cccnc12)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 10426210 NULHKCDJVFECBE-UHFFFAOYSA-N 448.460 4.196 5 20 IIBD Cc1nc(COc2cccc(C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)c2)cs1 17737367 XPLSBHFBHOKJKC-CYBMUJFWSA-N 441.465 4.123 5 20 IIBD COc1cc(COC(=O)Cc2ccc(Br)cc2)c([N+](=O)[O-])cc1OC(F)F 21976626 MOIBSVQCZUUQAF-UHFFFAOYSA-N 446.200 4.253 5 20 IIBD COc1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c([N+](=O)[O-])cc1OC 23548747 SMFKKGZGKYWLNS-CYBMUJFWSA-N 427.482 4.242 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nnc2cc(C)c3ccccc3n12 26368035 HYGSFVCJCRQTOU-UHFFFAOYSA-N 437.481 4.229 5 20 IIBD Cc1c(NC(=O)[C@H](C)Sc2nnc(N3CCC(C)CC3)n2C2CC2)cccc1[N+](=O)[O-] 28743096 XJHZRCGBUHEMGH-HNNXBMFYSA-N 444.561 4.185 5 20 IIBD Cc1ccc(NC(=O)[C@@H](Sc2nnc3cc(C)nc(C)n23)c2ccccc2)c([N+](=O)[O-])c1 33034940 COKAUNRBJQCEIV-FQEVSTJZSA-N 448.508 4.430 5 20 IIBD NC(=O)c1cc(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)ccc1F 33064630 MMBCJTNMVAKPTB-UHFFFAOYSA-N 442.834 4.351 5 20 IIBD CCOC(=O)c1cc(C(=O)N(Cc2cccc(Br)c2)C2CC2)cc([N+](=O)[O-])c1 58689081 IZJATNQZGBOZGB-UHFFFAOYSA-N 447.285 4.339 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1C 60442995 SDCPMLMJIKGCOI-GJZGRUSLSA-N 445.541 4.131 5 20 IIBD CC(C)C[C@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 72085615 WXOSSIWWGYUWFE-SFHVURJKSA-N 437.418 4.247 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@@H](c3ccccc3)[C@@H](C)C(=O)O)cc2[N+](=O)[O-])CC1 236671525 INHPAMDRNMJJIA-IIBYNOLFSA-N 425.485 4.023 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNC[C@H](O)Cc2ccccc2)cc1 238072666 KKNIYSXYWLKJCO-XMMPIXPASA-N 428.492 4.141 5 20 IIBD O=[N+]([O-])c1c(Sc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)nc2sccn12 301107684 UWDNXIRVLKTTMG-ZDUSSCGKSA-N 446.489 4.032 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N[C@H]1CCN(c2ccccc2Br)C1 301399889 PNKPTYODQCEPMU-ZDUSSCGKSA-N 447.289 4.005 5 20 IIBD C[C@H]1C[C@@H](c2cccnc2)N(c2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])C1 302141195 PATBXEBDOSRQCC-KKSFZXQISA-N 438.509 4.378 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1cccc(NC(=O)c2ccc(F)cc2)c1 302675843 UIOHZXBCVMUGMH-UHFFFAOYSA-N 443.456 4.002 5 20 IIBD O=C(O)[C@@H](Cc1ccc(OC(F)F)cc1)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 426794692 SRLIXGBEJHSFDX-GOSISDBHSA-N 432.379 4.242 5 20 IIBD CN(CCC(=O)O)C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 428076444 TZNGZRFQHUBBSJ-NTCAYCPXSA-N 425.466 4.068 5 20 IIBD CC(=O)N1CCC(N(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)Cc2cncs2)CC1 430192467 CFDMFJDRQRLCSV-UHFFFAOYSA-N 440.525 4.324 5 20 IIBD C[C@H](C(=O)N(Cc1ccc(Cl)cc1)Cc1cnn(C)c1)c1ccc([N+](=O)[O-])cc1F 431265173 VQHLYKNCMJNHIJ-AWEZNQCLSA-N 430.867 4.453 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC(c2ncc3n2CCCC3)CC1 434133973 SMONHYCGNCDDDI-UHFFFAOYSA-N 425.533 4.040 5 20 IIBD Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 434365180 ZLVREABKVZKEJW-LJQANCHMSA-N 444.495 4.280 5 20 IIBD COC(=O)c1c(C2CC2)csc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 439669396 WZOUVOFVACPTBW-UHFFFAOYSA-N 429.498 4.175 5 20 IIBD C[C@H](c1ccncc1)N1CCC(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 439737046 XCNXIUCATLPVME-OAHLLOKOSA-N 437.525 4.069 5 20 IIBD COc1cc(C(=O)Nc2c(C)ccn(C)c2=O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 440362887 GTYCPDJTXRFNFU-UHFFFAOYSA-N 443.843 4.309 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CC[C@]2(C1)OCc1ccccc12 444325536 FXQJXIJSCPLMDU-RUZDIDTESA-N 432.426 4.231 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(C(=O)NC2CCCCC2)c(O)c1 444392837 PABIWKBLADJYQC-UHFFFAOYSA-N 436.468 4.025 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(Oc2nc3ccccc3s2)c(Cl)c1 444447921 VXXMGFKQBSIZSG-UHFFFAOYSA-N 429.845 4.485 5 20 IIBD Cc1c(C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)oc2c(Br)cccc12 444642683 JBVVZUTUYKJDCL-UHFFFAOYSA-N 429.230 4.218 5 20 IIBD CCOc1cc(/C=C\c2nc(Cc3cc(OC)cc(OC)c3[N+](=O)[O-])no2)ccc1OC 445820946 WKCKYRNSTDHQPM-CLFYSBASSA-N 441.440 4.164 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)NC1(c2cccc(OC(F)(F)F)c2)CCOCC1 447238432 KFTXZTLGLZUHDY-UHFFFAOYSA-N 443.353 4.460 5 20 IIBD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)n1 447532897 VUSDBMBRAVQYCB-IAGOWNOFSA-N 434.422 4.269 5 20 IIBD COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2I)ccc1Cl 447703675 BOXGUQCHKTVSHH-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(-c3nc(CCn4nnc5ccccc54)no3)cc2[N+](=O)[O-])C1 460744392 UWDJSJLNNRWPIU-HZPDHXFCSA-N 447.499 4.115 5 20 IIBD O=C(N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1(c2cccc(C(F)(F)F)c2)CCC1 461089601 QRVNACKJALNLFX-MRXNPFEDSA-N 434.418 4.143 5 20 IIBD Cc1cccc(-c2nnc(N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)n2C[C@H]2CCCCO2)n1 461839531 KKOCZNBWCGQWBN-OAQYLSRUSA-N 448.527 4.295 5 20 IIBD CCS[C@@H](C)c1noc(CN(C)c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)n1 462490065 OMDLWLWLWQSBAS-AWEZNQCLSA-N 429.502 4.402 5 20 IIBD CN(CC(=O)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] 463121052 YNKQPMWDNQRJCX-FQEVSTJZSA-N 447.470 4.078 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 464038299 DQMPLURMOGXVBD-CQSZACIVSA-N 427.354 4.099 5 20 IIBD CC[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 465253666 CGDHRIIQQMJEQC-LLVKDONJSA-N 425.392 4.137 5 20 IIBD O=C(NCCSCc1ccccc1F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465628861 IMEVYHJXCUQFNV-UHFFFAOYSA-N 433.505 4.220 5 20 IIBD C[C@@](O)(CNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])C(F)(F)F 467987875 HIBUIRACXINKNV-MRXNPFEDSA-N 434.823 4.443 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nc(-c2ccc(NC(C)=O)cc2)cs1 470727781 WODVSIKOJCCWGJ-UHFFFAOYSA-N 426.454 4.328 5 20 IIBD NC(=O)c1ccccc1CCC(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 471028519 CLFVWQBTISEXIY-UHFFFAOYSA-N 427.507 4.478 5 20 IIBD CCc1ccc(C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1[N+](=O)[O-] 471294881 DPSAZXBOOSYXEL-UHFFFAOYSA-N 442.825 4.187 5 20 IIBD CCOC(=O)[C@@H](Cc1ccccc1Cl)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 471640417 YPICHZLYOIVFRO-OAHLLOKOSA-N 444.793 4.171 5 20 IIBD CNC(=O)c1cc2cc(NC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])ccc2[nH]1 473568768 MOPYDAHMXZVNIS-UHFFFAOYSA-N 444.447 4.267 5 20 IIBD NC(=O)C[C@@H](NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C1CCCCC1 473820651 WHAMCDWJGGLUQM-HXUWFJFHSA-N 426.473 4.333 5 20 IIBD CCS[C@H](C)c1noc(CN(C)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)n1 475196068 YQRCBTWNFQEJRJ-SECBINFHSA-N 433.412 4.475 5 20 IIBD Cc1nc(CN(C)[C@H]2CCCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)no1 475618758 PHXLSGOBMCJSOO-SFHVURJKSA-N 425.489 4.033 5 20 IIBD CC(=O)N(c1cccc(Cl)c1)c1nc(Cn2cc([N+](=O)[O-])cc(Cl)c2=O)cs1 477518979 GIXQXBULKPYWOV-UHFFFAOYSA-N 439.280 4.253 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1 477827116 GMXUAVISFXIESK-SGTLLEGYSA-N 438.267 4.068 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(Br)s1 479200058 YTGFJWCZDXVXSI-UHFFFAOYSA-N 445.360 4.430 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 480626966 YFWIJDVQPHYXOA-AWEZNQCLSA-N 443.525 4.173 5 20 IIBD CCN(C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1)CC(F)(F)F 481258263 NQVKTLMZDZIANO-LLVKDONJSA-N 442.360 4.352 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NS(=O)(=O)c1c([N+](=O)[O-])ccc(C)c1C 481605618 OFQGASSIZIQURI-AWEZNQCLSA-N 445.541 4.193 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cccc(Oc3ccncc3)c2)ccc1[N+](=O)[O-] 482823214 CSROQNNXCMOGTB-JOCHJYFZSA-N 446.463 4.334 5 20 IIBD CCOc1cc(NC(=O)C(=O)N[C@@H](c2ccccc2C)C(C)C)c([N+](=O)[O-])cc1OCC 483222447 JFRZUIQKRJGAIS-OAQYLSRUSA-N 443.500 4.153 5 20 IIBD CCN(CC)c1ccc(-c2nnc(SCc3nc4ccc([N+](=O)[O-])cc4[nH]3)n2C)cc1 484497186 IMSUPPUINZZUSC-UHFFFAOYSA-N 437.529 4.405 5 20 IIBD C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 484977316 RLRICSVCKVAPMA-FZKQIMNGSA-N 445.401 4.418 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](Cc2ccc(OC)cc2)C1 485402684 GWORANNJUUTTIO-SFHVURJKSA-N 444.553 4.437 5 20 IIBD COC(=O)c1cc(NC(=O)CCc2cc(F)ccc2Br)c(C)c([N+](=O)[O-])c1 485934344 NDWMSMVQKNTZRV-UHFFFAOYSA-N 439.237 4.163 5 20 IIBD CCN(CC(=O)Nc1c(Cl)cccc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 485957993 ODAIUSPZPLUODF-UHFFFAOYSA-N 436.255 4.417 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1cccc2cc(Br)cnc12 486818241 FMFLTEXPEUGXRW-UHFFFAOYSA-N 441.245 4.104 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2ccn(CC(=O)N(C)C)c2c1 487992615 KUCDOTUXDQRBAG-UHFFFAOYSA-N 426.498 4.002 5 20 IIBD CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 488002510 YJLGWFWSEZTEGW-RDTXWAMCSA-N 449.960 4.286 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(CCCc2ccccc2)o1 488869149 QEEUADDBRWIZNJ-AWEZNQCLSA-N 442.497 4.281 5 20 IIBD CCn1c(S[C@H](C)C(=O)c2ccc(OC)cc2OC)nnc1-c1ccc([N+](=O)[O-])cc1 489395478 VMEMZRGAMYYZAF-CYBMUJFWSA-N 442.497 4.254 5 20 IIBD C[C@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cc(Cl)ccc1Cl 490852603 QZNDHWDDVBLGPM-VIFPVBQESA-N 430.675 4.162 5 20 IIBD COc1cc(CN(C)Cc2ccccc2N2CCCC2)c([N+](=O)[O-])cc1OCC(F)F 491958966 OPYVKAAIEIWAMQ-UHFFFAOYSA-N 435.471 4.480 5 20 IIBD Cc1sc(NC(=O)C2CCN(CC(F)(F)F)CC2)nc1-c1cccc([N+](=O)[O-])c1 496315429 SFUBPHHAOCMUBD-UHFFFAOYSA-N 428.436 4.240 5 20 IIBD CCOc1cc(C(=O)NCCc2csc(-c3ccccc3)n2)c([N+](=O)[O-])cc1OC 497345878 LMOMQQUVFWBYBZ-UHFFFAOYSA-N 427.482 4.098 5 20 IIBD Cc1cc(N2CCCCCC2)ccc1NC(=O)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 498967902 OEVGCVIBIRIJKB-SFHVURJKSA-N 438.528 4.408 5 20 IIBD Nc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1 500138050 BQVKNYHVYUAERJ-UHFFFAOYSA-N 436.653 4.235 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(-c3nc([C@@H]4CN(Cc5ccccc5)CCO4)no3)cs2)c1 500801668 PJMSNSWIKOQBFD-IBGZPJMESA-N 449.492 4.342 5 20 IIBD CCOC(=O)c1csc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1 506248194 VSZLACIINICOFQ-LBPRGKRZSA-N 441.469 4.048 5 20 IIBD C[C@@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccc(F)c(Br)c1 507735641 ANEGHGGIIWMPOD-LLVKDONJSA-N 433.237 4.173 5 20 IIBD Cc1ccccc1-c1cc(NC(=O)CCn2cc([N+](=O)[O-])nc2C)n(Cc2ccccc2)n1 511622658 DYDVNZRSNKJXRJ-UHFFFAOYSA-N 444.495 4.349 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](CCc1ccccc1)c1ccccc1 516440938 PJJXTFVTLKYPTR-FQEVSTJZSA-N 433.464 4.032 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)CCc1ccc(OC(C)C)cc1 516820621 OZHJSXBTNOHVRD-MRXNPFEDSA-N 427.501 4.020 5 20 IIBD Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 519953719 IRRYFVXHJHXHEF-UHFFFAOYSA-N 433.468 4.014 5 20 IIBD CCOc1ccccc1C(=O)NCCCC(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 520314716 LVYKOUROMVFVKF-UHFFFAOYSA-N 439.512 4.479 5 20 IIBD Cc1sc(NC(=O)c2cc(F)ccc2N2CCOCC2)nc1-c1cccc([N+](=O)[O-])c1 521091050 DFYSKUAMYIRLHY-UHFFFAOYSA-N 442.472 4.255 5 20 IIBD Cc1cc([C@@H]2CCCN2C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)on1 522936554 NJNLFEKKIFVPIG-HNNXBMFYSA-N 436.255 4.361 5 20 IIBD Cc1cc(C)n(-c2ccc(-c3noc(CCOc4ccc(Cl)cc4[N+](=O)[O-])n3)cn2)n1 523879465 MJCITHMWHHKXEW-UHFFFAOYSA-N 440.847 4.117 5 20 IIBD O=C(CSc1ncccc1Br)Nc1ccc([N+](=O)[O-])cc1Br 524052276 VOMGLOWNLRUZAX-UHFFFAOYSA-N 447.108 4.246 5 20 IIBD COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)C1 524973842 YIFWJLLBXZVMHU-HNNXBMFYSA-N 448.903 4.126 5 20 IIBD COC(=O)CC1(NCc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CCOCC1 532042268 FYWLDLPOERCGNU-UHFFFAOYSA-N 430.526 4.256 5 20 IIBD O=C(COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(Cc1ccco1)CC(F)(F)F 534212815 XPGDJTLUKXSZCQ-UHFFFAOYSA-N 426.269 4.177 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(C[S@](=O)Cc3nc(-c4ccc(F)c(F)c4)no3)co2)cc1 535506722 GINXJEFIXFESTG-HKBQPEDESA-N 446.391 4.027 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C[S@@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 535510951 NCAHMRLRYCTSHT-HKBQPEDESA-N 441.509 4.435 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1OCc1nnnn1-c1ccc(C(F)(F)F)cc1 535662043 PQVPJIVQPGLIHG-UHFFFAOYSA-N 433.268 4.187 5 20 IIBD COc1cc(CN2CC[C@@H](C3CCOCC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 536664359 MMGPKPRKBZIDCR-OAQYLSRUSA-N 426.513 4.431 5 20 IIBD COC(=O)c1ccc(CCC(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cc1 537153931 IIHUPPLCQAUSRJ-UHFFFAOYSA-N 425.466 4.101 5 20 IIBD COc1cc(Br)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)c2)cc1Cl 537652730 XPZADBMDSFWRON-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD CN(C(=O)CC[C@H]1Cc2ccccc2NC1=O)c1nc(-c2ccccc2[N+](=O)[O-])cs1 539354087 LGQBPOIDSJIBNI-HNNXBMFYSA-N 436.493 4.272 5 20 IIBD Cc1c(NC(=O)[C@@H](C)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cccc1[N+](=O)[O-] 540393463 KLEBHSOAMIETCO-IAGOWNOFSA-N 447.495 4.228 5 20 IIBD CN(C(=O)CCCn1c(=O)oc2ccccc21)c1nc(-c2ccccc2[N+](=O)[O-])cs1 540453481 BLPDQLIZTGHCEO-UHFFFAOYSA-N 438.465 4.069 5 20 IIBD CCc1noc(-c2ccc(CCNC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1 541290881 SBBYXNVVZWRJIP-UHFFFAOYSA-N 446.916 4.312 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[C@H](n4ccc(C(F)(F)F)n4)C3)o2)c1 542986743 VPVSFVAJUSNADH-INIZCTEOSA-N 435.406 4.345 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(OCc2c(C)noc2C)cc1 545251051 OTCDKMSIAOMRRJ-UHFFFAOYSA-N 425.441 4.359 5 20 IIBD O=C(Nc1cccc(-c2noc(-c3cc(O)nc4ccc([N+](=O)[O-])cc34)n2)c1)c1ccco1 547030586 IEBHDANGXKAMPS-UHFFFAOYSA-N 443.375 4.411 5 20 IIBD COC(=O)CCN(C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)c1ccccc1C 547229450 PLOLHNUGMDARHP-UHFFFAOYSA-N 435.274 4.184 5 20 IIBD Cc1c(NC(=O)[C@H](C)N[C@@H](c2cncc(Br)c2)C2CC2)cccc1[N+](=O)[O-] 551426393 XREFKVGIEOZNRK-KPZWWZAWSA-N 433.306 4.129 5 20 IIBD CC[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(OC)c(OC)c1 552640800 XBBOMWJBCVSAJP-GOSISDBHSA-N 427.501 4.096 5 20 IIBD COCCC[C@@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1ccc(Cl)cc1 553607918 RQMAWLXWRYBXSV-HNNXBMFYSA-N 426.922 4.274 5 20 IIBD CCc1cnc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCCO2)s1 555457709 MUTLSEHJWKOECA-KRWDZBQOSA-N 442.545 4.078 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1cccc(CSc2ccccn2)c1 558734582 CANWOXVISGHHLY-UHFFFAOYSA-N 436.537 4.395 5 20 IIBD Cc1ccc(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c(OCC(F)(F)F)c1 564415466 SAEXRCBYPKKORH-UHFFFAOYSA-N 425.363 4.271 5 20 IIBD COc1cc(-c2nc(Cc3ccn(-c4c(F)cccc4F)n3)no2)cc([N+](=O)[O-])c1C 565800619 JMPWGPDTAXQDFM-UHFFFAOYSA-N 427.367 4.017 5 20 IIBD C[C@@H](Sc1nnc2ccc(Br)cn12)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 568773807 YOHAYHXGBDGLPE-SECBINFHSA-N 447.274 4.303 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cncc(Cl)c1Br 572641431 IVJHVVXCLIEEBQ-SSDOTTSWSA-N 435.061 4.465 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@](C)(c3ccccc3)CC2)cc1OC 573469914 JTHBZHIILMXVAY-DEOSSOPVSA-N 442.512 4.213 5 20 IIBD CC(C)c1ccc(S(=O)(=O)Cc2cc(I)cc([N+](=O)[O-])c2)cc1 589550461 GGLIHDUWLOESNP-UHFFFAOYSA-N 445.278 4.297 5 20 IIBD CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1c1ccc(O)cc1 589646300 HEYVZBOLSOGTND-NRFANRHFSA-N 437.500 4.327 5 20 IIBD Cc1ccc(C(C)C)c(Oc2ccc([C@H]3NC(=O)[C@H]4CSCCN43)cc2[N+](=O)[O-])c1 602755728 JBFKACACXUTKIH-NQIIRXRSSA-N 427.526 4.365 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccccc1C(=O)N(C)C1CCCCC1 604010623 GECBAUZULUAILN-UHFFFAOYSA-N 440.500 4.059 5 20 IIBD O=C(CN1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] 604276310 IWMQLLQNSSENAI-DTORHVGOSA-N 433.736 4.249 5 20 IIBD O=C(CN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] 604276311 IWMQLLQNSSENAI-IUCAKERBSA-N 433.736 4.249 5 20 IIBD O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1nccnc1-c1nc2ccccc2s1 609202645 UCWAGYINWDSYMB-UHFFFAOYSA-N 443.448 4.304 5 20 IIBD O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])cc1Cl 609839401 WMVUWKVUHVKJLJ-UHFFFAOYSA-N 438.311 4.175 5 20 IIBD COc1ccc(CSCC(=O)N[C@H](C)[C@H](OC)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 609865939 RRZXVEOTNIKXCO-XCLFUZPHSA-N 438.933 4.382 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCc3ccccc3OCC3CC3)cc2)c(C)c1[N+](=O)[O-] 610052213 QRVDMCOZORGRSI-UHFFFAOYSA-N 434.496 4.175 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccnc(Oc2ccccc2)c1 611510626 DWRIAWLVVMIGFW-UHFFFAOYSA-N 426.860 4.477 5 20 IIBD O=C(NCCCN1CCCCCC1=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 612444733 JXXGVHIBJGSGIV-UHFFFAOYSA-N 433.574 4.400 5 20 IIBD CC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] 615040833 XBJOVXCSUZMHTC-QHCPKHFHSA-N 431.448 4.090 5 20 IIBD C[C@H]1CN(c2ccccc2F)CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 616105890 KJBHCUOBVUIMCA-AWEZNQCLSA-N 426.473 4.208 5 20 IIBD COCCn1ncc2ccc(NC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])cc21 618643700 UBTXHQGLFHSEBE-UHFFFAOYSA-N 446.463 4.422 5 20 IIBD O=[N+]([O-])c1cccc(/C(O)=C(/C(=S)NCC(F)(F)F)[n+]2ccc3c(c2)CCCC3)c1 725760767 SYJJOGPLCLAFFE-UHFFFAOYSA-O 438.451 4.124 5 20 IIBD CC(C)COC[C@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])c1ccco1 725789104 ATAJSMPBXUPMDM-AWEZNQCLSA-N 436.408 4.307 5 20 IIBD CC(C)c1ccc(CN(C(=O)COC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])C2CC2)cc1 725934306 BDSIAEDAPXKHFG-UHFFFAOYSA-N 432.423 4.344 5 20 IIBD O=C(CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccc(Br)cc1 726606333 FXZOAHRYLGRMGD-UHFFFAOYSA-N 430.258 4.346 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1cccc(C(=O)OCc2ccccc2)c1 727326747 MGHANODPOULEIB-UHFFFAOYSA-N 436.489 4.360 5 20 IIBD O=C(c1ccc(I)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccc(F)cc1 727753474 HNNPAAWXRUHNSM-OAHLLOKOSA-N 440.212 4.316 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 729665608 LUKYAVKOVJDNEN-UHFFFAOYSA-N 427.866 4.396 5 20 IIBD O=C(NCCOc1ccccc1C(F)(F)F)c1ccc(Br)c([N+](=O)[O-])c1 730183875 NLFUBNGIJBLPCW-UHFFFAOYSA-N 433.180 4.185 5 20 IIBD Cc1cnn([C@@H]2CCCc3ccccc32)c1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 730417787 SOMFHSYRYCDPLC-GOSISDBHSA-N 446.916 4.480 5 20 IIBD C[C@H](OC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc(Cl)ccc1F 735147203 CMIZKSIZIVPHKP-JTQLQIEISA-N 445.230 4.380 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Br)c(F)cc1F 736420389 GJLZMLYGDFDUFT-UHFFFAOYSA-N 441.637 4.398 5 20 IIBD CCc1ccc([C@@H](C)NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 744562472 KTAIOANSDNIIOS-IAGOWNOFSA-N 439.512 4.180 5 20 IIBD COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 745565688 WFQXMAJZIKGRRI-VXGBXAGGSA-N 440.374 4.045 5 20 IIBD Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 748187860 UAOLWUIRAUKIFN-UHFFFAOYSA-N 436.512 4.382 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)CCc2ccc(Br)cc2)cccc1[N+](=O)[O-] 748919675 FVBOYUGTWYJBRZ-CYBMUJFWSA-N 435.274 4.169 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CCO[C@H](c2ccccc2F)C1 749419069 LRQHXDTXARBYBP-HNNXBMFYSA-N 443.656 4.364 5 20 IIBD O=C(Nc1ccc(CCC(=O)N2CCCC2)cc1)c1cc([N+](=O)[O-])ccc1Br 751107487 JLGDVFWWBPDQED-UHFFFAOYSA-N 446.301 4.165 5 20 IIBD CC(=O)c1ccccc1NC(=O)[C@H](C)OC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 751635910 QJNUQNCCRSOQTI-LBPRGKRZSA-N 436.873 4.113 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])O[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 751636039 RWDZSKOVTDRAHN-GOSISDBHSA-N 438.864 4.043 5 20 IIBD O=[N+]([O-])c1cccc(-c2ncn(CN3CCC[C@@H](COc4ccccc4Cl)C3)n2)c1 753964745 UQWOLORSOPQVNV-MRXNPFEDSA-N 427.892 4.255 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F 754451611 ATCJMFSMLCYTAM-KRWDZBQOSA-N 431.798 4.437 5 20 IIBD COc1cc(OC)c(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1F 755066827 XNVJMDSCBFMXSB-VIFPVBQESA-N 431.342 4.209 5 20 IIBD O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1CN1CCC[C@H]1c1ccccc1C(F)(F)F 755273345 BNQUWWMWOCCNOQ-KRWDZBQOSA-N 434.374 4.225 5 20 IIBD O=C(OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1cc(F)cc(C(F)(F)F)c1 756276197 GTOSHWMZXJGVEG-HNNXBMFYSA-N 440.349 4.214 5 20 IIBD O=C(COC(=O)c1cnc2ccc(F)cc2c1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 758626992 ZKRKOTFHMKLYFR-UHFFFAOYSA-N 437.305 4.096 5 20 IIBD COc1ccc(C[C@@H](C)CN(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1 762382820 YDRBUJVLVKMJJB-GFCCVEGCSA-N 439.281 4.456 5 20 IIBD C[C@H](Sc1nc2ccccc2s1)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 762905656 DZVGXANWOYSBJQ-NSHDSACASA-N 432.479 4.295 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)Nc1ccc(OC(F)F)c(Cl)c1 763718500 QPUNCLYMLXIVLT-UHFFFAOYSA-N 435.166 4.299 5 20 IIBD O=C(OCc1nc(O)c2ccc(C(F)(F)F)cc2n1)c1ccc([N+](=O)[O-])c2cccnc12 766220658 BVZSPOCQFRLLJR-UHFFFAOYSA-N 444.325 4.168 5 20 IIBD CC1=C(C(=O)N(C)C)[C@@H](c2ccccc2[N+](=O)[O-])NC(=S)N1c1ccc(Cl)cc1F 767142685 USSZGYDRJXIPDD-GOSISDBHSA-N 448.907 4.185 5 20 IIBD COc1cc(CN(C)Cc2ccccc2[N+](=O)[O-])c([N+](=O)[O-])cc1OCC(F)(F)F 768335958 CKSARVBBWHAYJX-UHFFFAOYSA-N 429.351 4.085 5 20 IIBD CC1CCN(c2ccc(-c3nc(-c4cnn(C)c4Br)no3)cc2[N+](=O)[O-])CC1 771568908 VEDMZOMXNIMJLH-UHFFFAOYSA-N 447.293 4.044 5 20 IIBD Cc1c(C(=O)Nc2cc(-c3cc(F)cc(F)c3)nn2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 773303207 XKKVIUMMXZQJEN-UHFFFAOYSA-N 431.355 4.051 5 20 IIBD Cc1ccc(NC(=O)COC(=O)c2sc(Br)cc2[N+](=O)[O-])c(Cl)c1 773602816 BOLIMVNSQUNYSW-UHFFFAOYSA-N 433.667 4.176 5 20 IIBD O=C(Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1cc([N+](=O)[O-])c2nsnc2c1 778241953 CVXVZNBETVSMIA-UHFFFAOYSA-N 443.828 4.351 5 20 IIBD O=C(NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Cl)cc1[N+](=O)[O-] 778332096 YWXOWYMZNUAJDY-UHFFFAOYSA-N 443.186 4.039 5 20 IIBD CN(CC(C)(C)C)C(=O)c1cccc(C(=O)O[C@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)c1 778789224 WXGQAEWVJPJXKM-NRFANRHFSA-N 439.512 4.149 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC(O)(c2c(F)cccc2F)CC1 779243056 ICBOOWNQMDXGCS-UHFFFAOYSA-N 445.447 4.120 5 20 IIBD O=C(CCOc1cccc([N+](=O)[O-])c1)OCc1nnc(-c2cc3c(s2)CCCC3)o1 782805507 BUAMBEUFXDDKSL-UHFFFAOYSA-N 429.454 4.097 5 20 IIBD Cc1c(Cl)cccc1-n1ccn(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1=S 782860968 UBYFYPHGRIACOC-UHFFFAOYSA-N 432.937 4.369 5 20 IIBD CCCCOc1ccc(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(O)c1 789249101 RNWIOYNGUZYZJQ-CYBMUJFWSA-N 427.413 4.447 5 20 IIBD CC(=O)Nc1ccc(NC(=S)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cc1 789343174 YUDRQPXDRMJOBN-UHFFFAOYSA-N 449.330 4.071 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(Oc3ccccn3)c2)c(C)c1[N+](=O)[O-] 790395724 YFPORXMDPCRABY-UHFFFAOYSA-N 444.425 4.108 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc(Br)c(F)c1 797575720 HDBULRVQCIHPDG-INIZCTEOSA-N 438.209 4.382 5 20 IIBD C[C@@H](OC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(C(F)(F)F)cn1 798669404 MADVWLYJPXCPKZ-LLVKDONJSA-N 439.346 4.001 5 20 IIBD COc1cc(C(=O)OC[C@H](OC)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC(F)F 801206910 QLZHBSRZSGEMLD-INIZCTEOSA-N 431.775 4.403 5 20 IIBD CCc1ccc([C@H](O)CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 804152358 ZQANWXBMWPOKKQ-WAIKUNEKSA-N 434.496 4.189 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(Oc3cccnc3)cc2)c(C)c1[N+](=O)[O-] 808125935 FJHBWIXUOBXASG-UHFFFAOYSA-N 444.425 4.108 5 20 IIBD O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1nc2ccccc2cc1Br 808705122 SRMUKPKWPGMSNU-UHFFFAOYSA-N 428.198 4.404 5 20 IIBD CCN(C)C(=O)CSc1ccc([C@@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2OC)cc1 809075922 OWNWULNOMWCVPY-CQSZACIVSA-N 432.498 4.092 5 20 IIBD C[C@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(N2CCCCC2=O)cc1 810129015 CGQJLABLTREEQM-AWEZNQCLSA-N 430.892 4.054 5 20 IIBD Cc1ccc(OC(=O)Cc2sc(N3CCOCC3)nc2-c2ccccc2)cc1[N+](=O)[O-] 810642159 NBALJYCDWDUBHE-UHFFFAOYSA-N 439.493 4.011 5 20 IIBD C[C@@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1ccc(N2CCCCC2=O)cc1 811006690 RDJHPBZJOSZCBK-CYBMUJFWSA-N 433.867 4.324 5 20 IIBD C[C@@H](OC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)s1)C(=O)Nc1cccc([N+](=O)[O-])c1 811288268 FFIIZOFCIHYIEH-GFCCVEGCSA-N 449.485 4.212 5 20 IIBD O=C(NC1CCCC1)OC[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 813263252 WMTQZUFJEIASMT-MRXNPFEDSA-N 443.422 4.277 5 20 IIBD O=C(Nc1cccnc1)c1ccc(CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 813463775 WKYVCWTXKBQRIV-UHFFFAOYSA-N 445.262 4.479 5 20 IIBD O=C(O[C@H]1CCN(c2ccccc2Cl)C1=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 815510503 ZHQNLRKFAPXYNG-HNNXBMFYSA-N 428.750 4.229 5 20 IIBD CSc1ccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)cc1[N+](=O)[O-] 816853097 FJHBOYVIQSTGRG-HNNXBMFYSA-N 435.546 4.369 5 20 IIBD CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)OC(=O)CSc1ccc([N+](=O)[O-])cc1 852582970 OTBLCZGSQKWBPD-CYBMUJFWSA-N 442.449 4.206 5 20 IIBD CC(=O)Nc1ccc(NC(=O)CNc2ccc(Cl)c([N+](=O)[O-])c2)c(C(F)(F)F)c1 857628134 NVUVNEIAJDYGFP-UHFFFAOYSA-N 430.770 4.276 5 20 IIBD CCOc1cc([N+](=O)[O-])c(-c2nc([C@@H]3CCCN3C(=O)OC(C)(C)C)no2)cc1OC 904707609 VJHLPXAUFUNMCB-ZDUSSCGKSA-N 434.449 4.124 5 20 IIBD O=C(Nc1ccc(OC[C@H](O)Cc2ccccc2)cc1)c1cc([N+](=O)[O-])ccc1Cl 912075928 PZEHQFREFKZHFC-GOSISDBHSA-N 426.856 4.483 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1 915019000 MHEQPURCYHKTHA-UHFFFAOYSA-N 447.447 4.259 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H]1c1cccc(F)c1 917927100 HIRNQETXGUQTOS-CQSZACIVSA-N 429.267 4.022 5 20 IIBD Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)on2)cc1 919099588 AAXFVBAYNCYYJK-GFCCVEGCSA-N 429.816 4.396 5 20 IIBD C[C@H](OC(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 919524451 URULWWJMGSRMHW-JTQLQIEISA-N 437.330 4.159 5 20 IIBD COc1cc2c(cc1NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)oc1ccccc12 920274466 MTSHWGMAOHOQHJ-UHFFFAOYSA-N 440.433 4.159 5 20 IIBD CC(C)CC(=O)N1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 1115873863 HIXAINNAWPANJS-UHFFFAOYSA-N 445.903 4.371 5 20 IIBD COc1cc(CN[C@@](C)(C(=O)O)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 1331923984 FNDHVXQMKQMSMG-XMMPIXPASA-N 436.464 4.272 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C3(NC(=O)CC(C)(C)C)CCC3)cc2)n1 1788852954 DVSLKWYEIPLPQJ-UHFFFAOYSA-N 440.500 4.182 5 20 IIBD O=C(Cc1ccc(Cl)cc1[N+](=O)[O-])NC1(c2ccc(NC(=O)C3CC3)cc2)CCC1 1792065097 CAYDBJAQIZEHDT-UHFFFAOYSA-N 427.888 4.335 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1cccc([N+](=O)[O-])c1)c1cccc2ccoc12 1793940324 DNMKPTYMUCZSMG-ACDBMABISA-N 447.491 4.226 5 20 IIBD Cc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C[C@@H](C)c2ccccc2)C3)cc1[N+](=O)[O-] 1800139943 JXYGPWOVHXLJMZ-TWHAJKEOSA-N 449.551 4.278 5 20 IIBD Cc1ccsc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CSc1ccccc1[N+](=O)[O-] 1802183370 WSHRLOOYKHSDLA-MUJYYYPQSA-N 445.566 4.009 5 20 IIBD C[C@H]1CCC[C@H]1C(=O)N1CCC2(CCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)CC1 1806490459 NMOIRYYFTOUIKW-SIKLNZKXSA-N 441.572 4.195 5 20 IIBD CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC2)CCC1 1823707953 RCNLWIXWTKNUPK-QFIPXVFZSA-N 441.572 4.337 5 20 IIBD O=C(CC1CC1)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1832902959 HLHZRVSKMLXHAK-ZJVMWOEPSA-N 425.529 4.028 5 20 IIBD Cc1csc(SCc2ccccc2C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)n1 9623563 SGNZTVCLSAPYGW-UHFFFAOYSA-N 443.506 4.448 5 20 IIBD CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 10949461 HMPMJGVRANEGIZ-DDUZABMNSA-N 426.897 4.207 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 15791001 QHYMXYIVZQNBPP-UHFFFAOYSA-N 439.493 4.371 5 20 IIBD C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 21684746 DFDYTLBXUPBXEB-ZDUSSCGKSA-N 441.488 4.370 5 20 IIBD Cc1csc(SCc2ccccc2C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])n1 22719469 ZMYQEYOATJWXKC-UHFFFAOYSA-N 443.506 4.448 5 20 IIBD COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1NC(=O)c1cccnc1 26238665 OMABHAYCJPYRRI-UHFFFAOYSA-N 426.816 4.156 5 20 IIBD CC(C)c1ccccc1OCC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 28930175 BEBPMRGEWALEHR-UHFFFAOYSA-N 440.374 4.298 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccccc1COCc1ccccc1 32441863 CMGKOYQINJJLMB-UHFFFAOYSA-N 426.494 4.099 5 20 IIBD O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCc1ccc([N+](=O)[O-])cc1 71981689 LBWBVDSHAZBVHB-NRFANRHFSA-N 437.883 4.426 5 20 IIBD CCCCCCNC(=O)[C@@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 72051547 IBAHXTGABGSYFC-HXUWFJFHSA-N 447.579 4.090 5 20 IIBD O=C(Nc1cccc(OC(F)F)c1)c1cc([N+](=O)[O-])ccc1I 107887871 HXLYIAKPYPGHJL-UHFFFAOYSA-N 434.136 4.053 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1 109663703 CJLKEYFUYIWYLP-UHFFFAOYSA-N 432.502 4.112 5 20 IIBD Cc1ccc(Cc2nnc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)s2)cc1 303335395 XJOGWFPJQLFQPI-UHFFFAOYSA-N 437.525 4.201 5 20 IIBD Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)n2)cc1 303546618 ZLFCHSVJGBVTPO-HNNXBMFYSA-N 442.522 4.332 5 20 IIBD CCOc1cc(NC(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)c([N+](=O)[O-])cc1OCC 409657974 DODNANYMZQAXAK-VFNWGFHPSA-N 429.473 4.386 5 20 IIBD COc1cc(NC(=O)CN(C)C(=O)c2cc3ccccc3c3cccnc23)cc(OC)c1 426938725 BVEGTWNPUVAOKV-UHFFFAOYSA-N 429.476 4.116 5 20 IIBD CN(C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C(C)(C)C(=O)O 431457409 LXJYVAJISSRHNL-QINSGFPZSA-N 439.493 4.457 5 20 IIBD Cc1nn(CC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)c2ccc([N+](=O)[O-])cc12 432249135 CLTSCHAXZVTMTQ-GOSISDBHSA-N 435.465 4.285 5 20 IIBD Cc1cc(CN(C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc(C)c1OCC(F)(F)F 433985244 VBFLUMNQMPIEQU-UHFFFAOYSA-N 428.411 4.271 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(=O)N1Cc2ccccc2C1 435487359 QVQCZVMSOZQTGQ-UHFFFAOYSA-N 425.491 4.288 5 20 IIBD C[C@H](NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1ccc(-n2cncn2)cc1 435815099 ASOBOKZVNAOXLT-ZDUSSCGKSA-N 445.429 4.031 5 20 IIBD O=C(NCCOc1cccc(Br)c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 436137625 JMZMUBWZJQHMLZ-UHFFFAOYSA-N 437.293 4.253 5 20 IIBD CCn1c(S[C@@H](Cc2c(F)cccc2F)C(C)=O)nnc1-c1ccc([N+](=O)[O-])cc1 436204402 MHJGIRKVYIMHNG-SFHVURJKSA-N 432.452 4.444 5 20 IIBD Cc1ccc([C@@H](CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)N(C)C)cc1 436320429 VVTHNCIVANOSFT-JOCHJYFZSA-N 435.474 4.301 5 20 IIBD CC[C@@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCS1 437147810 VCLFBRAATJLVDS-OAHLLOKOSA-N 431.480 4.184 5 20 IIBD O=C(c1ccncc1)N1CCC[C@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)C1 440615708 PZBZNQUDAHHGCX-NRFANRHFSA-N 444.491 4.075 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](c1cccc(Cl)c1)c1ccccn1 441019919 YQKMRMKKRADZIS-QFIPXVFZSA-N 440.887 4.360 5 20 IIBD Cc1ccc(NC(=O)C(=O)N(C)[C@H](c2ccncc2)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 441867029 FQXDVOXPOLDLQX-FQEVSTJZSA-N 438.871 4.138 5 20 IIBD O=C(N[C@@H](CO)Cc1ccc(F)cc1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 442795914 FIGFUKOSIHFPHL-QGZVFWFLSA-N 426.469 4.219 5 20 IIBD CCNC(=O)c1cc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)nc2ccccc12 444233541 BEXBJVFZPVSHDJ-UHFFFAOYSA-N 436.471 4.232 5 20 IIBD C[C@H](CC(=O)c1cccs1)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444245304 XXEJIINKXXDZPG-LLVKDONJSA-N 426.444 4.412 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1nc2ccccc2n1C(F)F 444657820 AASUSDHMJVAARU-VXGBXAGGSA-N 433.415 4.026 5 20 IIBD O=C(Nc1cccc(NC(=O)c2cnc(O)c([N+](=O)[O-])c2)c1)c1cccc(C(F)(F)F)c1 445182785 CVRYKOSKOSTDND-UHFFFAOYSA-N 446.341 4.219 5 20 IIBD Cn1cnnc1Sc1ccc(-c2nc(Cc3ccc4c(c3)CCC4)no2)cc1[N+](=O)[O-] 445307201 HMSPOWRLGNEEKL-UHFFFAOYSA-N 434.481 4.004 5 20 IIBD CC[C@@H](NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1)c1cccc([N+](=O)[O-])c1 446676336 KMBQIQGGQPMZAI-IAGOWNOFSA-N 448.405 4.272 5 20 IIBD CC(C)c1ccc(C(=O)Nc2ccnn2-c2ccc(Br)cn2)cc1[N+](=O)[O-] 448538261 NYAIOFDAULIMIZ-UHFFFAOYSA-N 430.262 4.314 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CC[C@H](COCc2ccccc2)C1 460507991 DNMFIAJSWXLMIT-INIZCTEOSA-N 438.402 4.215 5 20 IIBD CCSCC[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCO1 461688542 XHAFUMNYPRZGIZ-QFBILLFUSA-N 433.578 4.390 5 20 IIBD O=C(NC[C@H]1CCN(c2ccccc2F)C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 462636749 FWOLDUKKKFMSOX-OAHLLOKOSA-N 433.458 4.216 5 20 IIBD COc1cc(OC)cc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)n2)c1 462837988 DKWCYHYIOCLNJW-UHFFFAOYSA-N 430.420 4.475 5 20 IIBD COc1ccc2c(c1)N(C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CCO2 464365908 LSWMSLMDFDGGSP-UHFFFAOYSA-N 428.388 4.140 5 20 IIBD O=C(NC1(c2cccc(F)c2)CCOCC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 464552414 GCNKNRIACMECPW-UHFFFAOYSA-N 427.457 4.293 5 20 IIBD CC(=O)Nc1ccc(S[C@H](C)C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 464636506 XLNMZMRHROYLLL-OAHLLOKOSA-N 443.525 4.104 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@H]2CCN(CC(C)C)C2)cc1 465274050 UBGUSFIQORDAMP-QGZVFWFLSA-N 427.501 4.103 5 20 IIBD Cc1nn(CCC(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)c(C)c1[N+](=O)[O-] 466288019 QCFURUHVAHOSMB-INIZCTEOSA-N 439.285 4.064 5 20 IIBD CC(C)N(CC(=O)Nc1c(F)cc(F)cc1Br)Cc1ccc([N+](=O)[O-])cc1 467188152 UVUNLMIPYSQQPQ-UHFFFAOYSA-N 442.260 4.485 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 467226107 BJSVHEYLUVEWAH-KRWDZBQOSA-N 441.818 4.133 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ccc(NCCc2ccccc2)cc1 467441961 JKGMOHYDVOEMEE-UHFFFAOYSA-N 433.464 4.202 5 20 IIBD CC(C)(C)[C@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 468561158 SSVSKDDGVKYKSD-LJQANCHMSA-N 445.903 4.388 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N(C)CCOc2ccc(C(F)(F)F)cc2)cc1OC 469516050 XCWWMKLQZAVOJZ-UHFFFAOYSA-N 442.390 4.172 5 20 IIBD COc1cc(C(=O)NCC(C)(C)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])cc1OC 470314263 RHFMMFVKPZXLDH-UHFFFAOYSA-N 426.391 4.338 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(S(=O)(=O)CC)s1 471275544 BSQDNNNMVOKBFN-UHFFFAOYSA-N 442.584 4.272 5 20 IIBD CCC(=O)c1ccc(Cl)c(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c1 471433716 ADJDAZVYRMOTKX-UHFFFAOYSA-N 431.832 4.168 5 20 IIBD COCCOc1ccc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 472209359 PIMJHXSQIGFYDZ-UHFFFAOYSA-N 441.303 4.113 5 20 IIBD CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1cccc([N+](=O)[O-])c1OC 474590161 QYKUHRQRRGIYIO-UHFFFAOYSA-N 440.283 4.401 5 20 IIBD COc1ccc(-c2csc(CNC(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c2)cc1 476606435 ZFQCCVFWCDRWGO-UHFFFAOYSA-N 445.884 4.240 5 20 IIBD O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 477757922 FSVBBOPPVLXKJY-UHFFFAOYSA-N 446.463 4.063 5 20 IIBD Cc1c(CN[C@@H](C)c2nnn(-c3cccc(Br)c3)c2C)cccc1[N+](=O)[O-] 478487088 HIZYIBPBULDDBO-ZDUSSCGKSA-N 430.306 4.406 5 20 IIBD O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1cc2c(cc1[N+](=O)[O-])OCCO2 478704309 QMLIKZAJJZPNPZ-UHFFFAOYSA-N 437.433 4.166 5 20 IIBD CN(C(=O)c1ccc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1)C1CCCCC1 479636290 IOKYNXHBYUHILZ-UHFFFAOYSA-N 447.495 4.438 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)c1[N+](=O)[O-] 481017202 VHEAOCGUPRDWOH-KRWDZBQOSA-N 441.509 4.225 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(OCc3ccccn3)c(F)c2)c1C 481608828 FNQUGGZYXOEJHE-UHFFFAOYSA-N 431.445 4.126 5 20 IIBD CCn1c(Sc2ccc(C(=O)Nc3ccccc3)nn2)nnc1-c1ccc([N+](=O)[O-])cc1 481845416 WEPSUAPHUIEYON-UHFFFAOYSA-N 447.480 4.067 5 20 IIBD COc1ccc(-c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(OC)c3)nc2)cc1Cl 481869961 XRPMHQAPVBYVEX-UHFFFAOYSA-N 449.872 4.128 5 20 IIBD CCc1ccc([C@H]2CN(C(=O)Cn3c4ccccc4c(=O)c4ccccc43)CCO2)cc1 482060586 JYTIUCRAPNHUKJ-RUZDIDTESA-N 426.516 4.317 5 20 IIBD COC(=O)c1cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(Cl)c1F 482642896 DFVHCSYPXWWCQL-UHFFFAOYSA-N 438.842 4.373 5 20 IIBD Cc1c(CNC(=O)C(=O)Nc2ccc3nc(-c4ccc(F)cc4)oc3c2)cccc1[N+](=O)[O-] 483820152 KFSVJNNGOFIIQO-UHFFFAOYSA-N 448.410 4.105 5 20 IIBD O=C(NCCCCc1nc(-c2cccnc2)cs1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 484877328 JVIVHPFGCXHBCY-UHFFFAOYSA-N 448.508 4.052 5 20 IIBD O=C(Nc1ccc(NC(=O)C2CC2)nc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 485930258 FJLBQQUUZMCADI-UHFFFAOYSA-N 432.436 4.170 5 20 IIBD COC(=O)c1cc(NS(=O)(=O)c2c(Cl)ccc3ccccc23)c(C)c([N+](=O)[O-])c1 486019349 OVBKSUUYRHTJFL-UHFFFAOYSA-N 434.857 4.297 5 20 IIBD O=C(c1ccc(N2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1)N1CCOCC1 486037665 MXLKGWQPNDBVOE-BDTNDASRSA-N 435.524 4.230 5 20 IIBD CCN(CCC1CCN(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)CC1)CC1CC1 486880960 CTCJKCPTXLTAKW-UHFFFAOYSA-N 446.548 4.056 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cc3)cn2)c([N+](=O)[O-])c1 488389898 AGEYLUHRBUTKBC-UHFFFAOYSA-N 435.845 4.245 5 20 IIBD C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 489862456 GIRFFVCILRGLED-CYBMUJFWSA-N 433.306 4.164 5 20 IIBD COc1c(S(=O)(=O)Nc2cccc(Cl)c2C)cc(Br)c(C)c1[N+](=O)[O-] 491610662 SRGHHJUXOPGVFP-UHFFFAOYSA-N 449.710 4.437 5 20 IIBD CCOc1ccc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1Br 494041068 ZEVRUGXBAVVKMH-UHFFFAOYSA-N 445.273 4.409 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 497063381 KRUJTLWWTSCTTF-KDOFPFPSSA-N 436.867 4.362 5 20 IIBD Cc1c(C(=O)N2CCCC[C@H]2c2ccc(C(C)C)cc2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 497488160 KVFWOAHHOINNNV-FQEVSTJZSA-N 445.541 4.041 5 20 IIBD Cn1ccnc1Sc1ccc(Cl)cc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 497797944 BCRNQWCUVRFKAA-UHFFFAOYSA-N 432.845 4.114 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc(OCC2CCCCC2)cc1 498424667 UBSKNBAWLJAKAP-UHFFFAOYSA-N 425.441 4.101 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCOC[C@H]1c1nc2ccccc2s1 500704985 ZXZUEOVDVHKQBH-IBGZPJMESA-N 438.509 4.018 5 20 IIBD COC(=O)[C@H](C)NC(=O)c1ccc(N[C@H](C)c2cc3ccccc3s2)c([N+](=O)[O-])c1 501276116 UZFBVIZPBPCJET-OLZOCXBDSA-N 427.482 4.274 5 20 IIBD CCSc1ccc([C@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 504729372 JSUWPLRPHDQJNX-HRAATJIYSA-N 441.553 4.497 5 20 IIBD COCCSc1ccc([C@@H](C)Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])cc1 505598512 WXFUKMQZYZUGOS-OAHLLOKOSA-N 440.525 4.471 5 20 IIBD COc1ccc(-c2ccc(CN(C)Cc3ccccc3N3CCOCC3)o2)c([N+](=O)[O-])c1 506153548 QPYJLXJMRKUFBO-UHFFFAOYSA-N 437.496 4.332 5 20 IIBD COCc1nc(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c(-c2ccccc2)s1 508364241 XDNQMASWWWPCSN-UHFFFAOYSA-N 436.493 4.136 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)NCCc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 508764380 LLIQNQHVLLLIHP-UHFFFAOYSA-N 439.541 4.145 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCCN(Cc2ccc(F)cc2)CC1 510840286 ACPUVALBJZXQOQ-UHFFFAOYSA-N 438.406 4.075 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCCN2CCC[C@H](C)C2)cc1[N+](=O)[O-] 511152948 LCWQQJUOIJHJPW-INIZCTEOSA-N 441.553 4.009 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1 515633452 MQCZKMBKCMFKKS-UHFFFAOYSA-N 443.456 4.024 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)NCC2(c3ccc(Cl)cc3Cl)CCOCC2)c1 516776478 RHYCVHBUIXKCOP-UHFFFAOYSA-N 439.295 4.388 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1N[C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 519555882 KGLKTOXAUDGBGJ-LJQANCHMSA-N 428.514 4.033 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)cc1OC 520732465 IGAFOKNNXGXWSB-UHFFFAOYSA-N 442.497 4.432 5 20 IIBD O=C(NCCCNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)c1ccc(F)cc1 521364678 XUHDCDNCFFUYHY-UHFFFAOYSA-N 437.427 4.076 5 20 IIBD O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1cc2cc(F)ccc2o1 522739227 NFAZNLFSJMLAFC-UHFFFAOYSA-N 447.425 4.022 5 20 IIBD COc1ccc(C(C)(C)CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 523949880 CZRDPWNWXQOUTA-UHFFFAOYSA-N 436.892 4.128 5 20 IIBD Cc1ccc(NCCCNC(=O)C(=O)Nc2cccc(-c3cccs3)c2)c([N+](=O)[O-])c1 525327525 SWCXLHIHTQZMKU-UHFFFAOYSA-N 438.509 4.189 5 20 IIBD CC[C@H]1CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)[C@H](CC)CN1C(C)=O 530747702 WDXQNDSNFUIWFH-LEWJYISDSA-N 438.528 4.068 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H](COc2ccccc2Cl)C1 532828093 WTMMGBYLNLOXPY-MRXNPFEDSA-N 447.919 4.376 5 20 IIBD COc1ccc(C[C@H](C)CN(C)C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 534896066 MKOMPBFGVFEUPO-AWEZNQCLSA-N 440.418 4.495 5 20 IIBD C[C@@H]1CCCC[C@H]1OCCNC(=O)CSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 535506607 FBGNLHZQMYHYOA-DNVCBOLYSA-N 433.530 4.195 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC(C)(C)c2ccccc21 536502967 WROAIXIEQYXSEG-GOSISDBHSA-N 428.510 4.402 5 20 IIBD O=C(Nc1scnc1C1CC1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 536509906 RGIKDYHLZPNLQD-UHFFFAOYSA-N 441.435 4.302 5 20 IIBD Cc1ccc([C@H](C)NCC(=O)N(C)Cc2cc(Br)cs2)cc1[N+](=O)[O-] 539379228 LCAYNFMXEDVXOP-LBPRGKRZSA-N 426.336 4.036 5 20 IIBD COc1ccc(-c2ccc(CNCc3ccc(C)cc3N3CCOCC3)o2)c([N+](=O)[O-])c1 539527400 GWRZWVXUJAIXHV-UHFFFAOYSA-N 437.496 4.298 5 20 IIBD O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 539758297 HFZYDSCSBUSWTJ-UHFFFAOYSA-N 428.452 4.386 5 20 IIBD C[C@@H](C(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccc([N+](=O)[O-])cc1F 543470219 ONWZEAMYMAHDSX-GFCCVEGCSA-N 436.365 4.358 5 20 IIBD CCOC(=O)c1cc(-c2nc(-c3ccc(Oc4ncccn4)cc3)no2)cc([N+](=O)[O-])c1 544066360 INNNDWCFACEWQH-UHFFFAOYSA-N 433.380 4.071 5 20 IIBD COc1ccc(COc2ccc(-c3noc(-c4ccc(OC)c([N+](=O)[O-])c4)n3)cn2)cc1 544396961 SLTIWZOLGBRMIJ-UHFFFAOYSA-N 434.408 4.303 5 20 IIBD CN(C)CCOc1cccc(-c2noc(-c3csc(-c4cccc([N+](=O)[O-])c4)n3)n2)c1 544599802 ZEWKJBLJJXXJCF-UHFFFAOYSA-N 437.481 4.376 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2cc(OCC(F)F)ccn2)no1 545844697 OWHROJSSBNWRDL-VIFPVBQESA-N 426.763 4.477 5 20 IIBD Cc1cc(Cc2noc(Cc3csc(NC(=O)c4ccoc4C)n3)n2)ccc1[N+](=O)[O-] 547262885 CGZRGQYKIGGIQU-UHFFFAOYSA-N 439.453 4.078 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 548095797 ZFGOABYQSZEIJI-UHFFFAOYSA-N 438.465 4.254 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCOC1 549669401 YAFILLTVXFVLCD-INIZCTEOSA-N 432.484 4.008 5 20 IIBD CCc1ccc2occ(C(=O)N3CCCN(c4nc5ccc([N+](=O)[O-])cc5[nH]4)CC3)c2c1 552162831 JYGUYVIXPJIINW-UHFFFAOYSA-N 433.468 4.132 5 20 IIBD CC(C)Sc1ccc([C@H](C)NC(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 553094024 SZLRJGZUEVQYAZ-INIZCTEOSA-N 441.553 4.464 5 20 IIBD CCOc1cc(NC(=O)NC2(c3noc(C)n3)CCCCC2)c([N+](=O)[O-])cc1OCC 558243637 HXPQHZISCKCTJO-UHFFFAOYSA-N 433.465 4.065 5 20 IIBD CC(=O)CCc1ccc(OCc2cccc(C(=O)N(C)c3ccc([N+](=O)[O-])nc3)c2)cc1 561797827 SRSDZURJLSBDNV-UHFFFAOYSA-N 433.464 4.367 5 20 IIBD C[C@H](CCC1CCCCC1)NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 563947434 WYDDXQNTGGYCTB-GFCCVEGCSA-N 426.311 4.161 5 20 IIBD CCc1c(NCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cnn1-c1ccc(Cl)cc1 568713398 KVNCLXTVSONKBW-UHFFFAOYSA-N 429.864 4.056 5 20 IIBD COc1ccc(F)cc1[C@@H](C)NCc1cc(I)cc([N+](=O)[O-])c1 569969917 FTJITVYAJVNJTB-SNVBAGLBSA-N 430.217 4.198 5 20 IIBD CC(C)Oc1ccc(Cl)cc1NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 575372862 ZOXMIDZPHNNBGF-UHFFFAOYSA-N 431.876 4.165 5 20 IIBD CCOC(=O)c1cc(S(=O)(=O)Nc2ncc(-c3ccccc3)s2)cc([N+](=O)[O-])c1C 575832070 RQDUNCZRDSDTLV-UHFFFAOYSA-N 447.494 4.004 5 20 IIBD COCCOc1cccc(-c2noc(-c3cc([N+](=O)[O-])cc(Br)c3C)n2)c1 581156821 IZZQYUFVKGVBFM-UHFFFAOYSA-N 434.246 4.408 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 583234113 NFSJDHHHUVHUCA-GOSISDBHSA-N 429.477 4.193 5 20 IIBD CC[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C[C@H](C)[S@@]1=O 589186661 MRDYPOYPDZWQMY-CMUBZURLSA-N 441.347 4.349 5 20 IIBD CCOc1cc(CN(C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)ccc1OC(F)F 603642381 GAZLDUUPFNKKEM-UHFFFAOYSA-N 425.388 4.267 5 20 IIBD Cc1c(NC(=O)[C@H](C)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] 604276327 KBIPBPSNAYKGQH-SDDRHHMPSA-N 427.345 4.293 5 20 IIBD CC(C)S(=O)(=O)c1ccccc1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 608872029 KHEVPZBYVDDNDT-UHFFFAOYSA-N 431.495 4.153 5 20 IIBD O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(c2nc3ccccc3s2)C1 609453384 FBEMCTPHOPNFOY-OAHLLOKOSA-N 448.508 4.245 5 20 IIBD Cc1cc(Br)ccc1CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 609505984 ZQBIXBXXCBRKPT-UHFFFAOYSA-N 432.318 4.199 5 20 IIBD Cc1cc(S(=O)(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)ccc1[N+](=O)[O-] 609691017 QAKNWHDYGIUEOQ-UHFFFAOYSA-N 447.416 4.255 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1cc(CCc2ccccc2)[nH]n1 610668634 PRAFFQOMEMHZGS-UHFFFAOYSA-N 429.274 4.047 5 20 IIBD O=C(O)Cc1csc(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)n1 610838422 MGHFKCIWYFNEGE-UHFFFAOYSA-N 446.872 4.196 5 20 IIBD CCNC(=O)COc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)c1 611200482 SPYWXHYIUXWSJF-UHFFFAOYSA-N 443.525 4.397 5 20 IIBD CN1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3SC3CCCC3)nc2)CC1 611200832 XWSGQPOBAGPMTO-UHFFFAOYSA-N 441.557 4.029 5 20 IIBD Cn1ccnc1[C@@H](NCc1cccc(OCc2ccccn2)c1)c1cccc([N+](=O)[O-])c1 611560357 XIEXTQUYOWBYKS-QHCPKHFHSA-N 429.480 4.182 5 20 IIBD O=C(c1ccccc1C(F)(F)F)N1CCC(Nc2ncnc3ccc([N+](=O)[O-])cc23)CC1 613894496 CLIDFCJWKBLRDH-UHFFFAOYSA-N 445.401 4.274 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1cccc(CN2CCCC2=O)c1 618745973 YOWHLQTZEILRCO-UHFFFAOYSA-N 436.390 4.058 5 20 IIBD O=C(CC1CCCCC1)N1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 725789870 XYDUXAMTBBHUKT-UHFFFAOYSA-N 444.410 4.141 5 20 IIBD CN(CCCc1cc(-c2ccccc2)no1)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 725805609 VVBUPYSBDNZLLV-UHFFFAOYSA-N 428.876 4.406 5 20 IIBD O=C(COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])N[C@H](c1ccccc1)C1CCCCC1 725935353 OLALDNNIJYRAAJ-OAQYLSRUSA-N 432.423 4.468 5 20 IIBD Cc1nn(CCC(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)c(C)c1[N+](=O)[O-] 726648080 DOZURFJPJZZZHH-KRWDZBQOSA-N 436.468 4.036 5 20 IIBD O=C(Nc1ccccc1)[C@H]1CCc2ccccc2N1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 726917552 CYFFJRPSOJIHDJ-OAQYLSRUSA-N 446.419 4.103 5 20 IIBD O=C(NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1C[C@@H]1c1ccc2ccccc2c1 731290475 MEXBJAFRSBGEHQ-HZPDHXFCSA-N 430.869 4.010 5 20 IIBD CC(C)(C)OC(=O)NC[C@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCCCC1 732017650 BFSPTQFWLBRENG-HNNXBMFYSA-N 425.913 4.452 5 20 IIBD CC(C)[C@H](OC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1CCCCC1 735148817 TUWHFBMSSOYQPO-IBGZPJMESA-N 426.897 4.034 5 20 IIBD O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@H](Oc1ccccc1)c1ccccc1 735346808 VFHOOGYTXWVWKL-QFIPXVFZSA-N 448.431 4.256 5 20 IIBD O=C(NCC[S@](=O)Cc1ccccc1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 735868625 UJJRLLUSTQCTBG-HKBQPEDESA-N 439.493 4.458 5 20 IIBD COc1cc(C(=O)OCc2ccc(Cl)c([N+](=O)[O-])c2)c([N+](=O)[O-])cc1OC(F)F 735900821 JEZJRNAXTCPBGE-UHFFFAOYSA-N 432.719 4.123 5 20 IIBD O=C(OCCCCCn1cccn1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 736862925 GMSWQOOGCRGDTP-UHFFFAOYSA-N 438.271 4.311 5 20 IIBD CN1C(=O)CC[C@@H](COC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@H]1c1cccc(Cl)c1 740603680 KHJPEIOINIFGLG-YCRPNKLZSA-N 441.871 4.496 5 20 IIBD C[C@H]1C[C@@H](c2cccc(F)c2)N(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)C1 742419069 QOBWZRKWBUFFMW-YWZLYKJASA-N 433.505 4.106 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@H](C)CC(=O)c3cccc(F)c3)CC2)ccc1[N+](=O)[O-] 744175290 RKULVHHIAZHBCX-OAHLLOKOSA-N 444.459 4.164 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3cccc(OC(F)F)c3)CC2)ccc1[N+](=O)[O-] 744204954 VJKCFNFVBDMWPS-UHFFFAOYSA-N 436.411 4.421 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cccc1[N+](=O)[O-] 745567231 GMLONRKMEPUVHE-SNVBAGLBSA-N 441.318 4.014 5 20 IIBD Cc1ccc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1Br 747046141 WORSMKPYNFEHQD-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)NCc1ccc(Cl)cc1 747124586 OBTYLXSCOYOFJR-JTQLQIEISA-N 430.766 4.129 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)cccc1[N+](=O)[O-] 748908248 OWYKQRDXYISBGG-APHBMKBZSA-N 447.285 4.340 5 20 IIBD CCN(CC)c1ccc(-c2nnc(SC[C@@H](O)c3cccc([N+](=O)[O-])c3)n2C)cc1 749662031 BNYAFLMMUDYCFY-LJQANCHMSA-N 427.530 4.062 5 20 IIBD CC(=O)c1ccc(OS(=O)(=O)c2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1 749950448 WJFDEVYOVNYQOL-UHFFFAOYSA-N 427.434 4.144 5 20 IIBD CC(C)N(C(=O)COC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)c1ccccc1 751691598 KRBCFXJURAVKIY-UHFFFAOYSA-N 439.237 4.095 5 20 IIBD O=C(Cc1nnc(O)c2ccccc12)OCc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1 752458137 VIYXAYWQYKUJJI-UHFFFAOYSA-N 431.404 4.322 5 20 IIBD O=C(COC(=O)c1c(F)ccc([N+](=O)[O-])c1F)Nc1ccc(OCc2ccccc2)cc1 752564916 IIWVURQCSAGSIQ-UHFFFAOYSA-N 442.374 4.248 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N(Cc1ccccc1)C[C@@H](O)c1ccco1 752777636 WLBOWLYYTCVHSV-JOCHJYFZSA-N 435.480 4.164 5 20 IIBD CCOC(=O)CN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@H](C)c1ccccc1 754393063 UJJZRZGCRBCXOA-CYBMUJFWSA-N 435.274 4.124 5 20 IIBD O=C(N[C@H](c1ccccc1)c1cccc(F)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 755649299 GYQAZVMUAOOPBD-HSZRJFAPSA-N 435.455 4.090 5 20 IIBD Cc1cc(Br)ccc1CNC(=O)c1cccc([N+](=O)[O-])c1Br 758337205 UJUNYEFMHQGLHX-UHFFFAOYSA-N 428.080 4.358 5 20 IIBD CN(C)C1CCN(c2ccc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)cc2F)CC1 762447758 ZSKRMFUDGOUWCB-UHFFFAOYSA-N 446.498 4.320 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1cc(=O)oc2c(C)c(C)ccc12 763810481 MXIFACBBTZUSBW-UHFFFAOYSA-N 443.477 4.414 5 20 IIBD CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c1 764232116 GBKLVIJYNYUEDA-UHFFFAOYSA-N 435.864 4.404 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c(Br)cc1F 764264023 AKDAZIGVDRDZEU-UHFFFAOYSA-N 431.601 4.189 5 20 IIBD Cc1nn(CNC2(c3cccc(Br)c3)CCOCC2)c2ccc([N+](=O)[O-])cc12 764926411 VYISZCRLGWYDHB-UHFFFAOYSA-N 445.317 4.268 5 20 IIBD O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCc1nnc(-c2ccccc2)s1 766655906 QZNNIYUWYFURBS-UHFFFAOYSA-N 438.387 4.287 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)c1ccc(OS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 767600607 ZWFILEJOAUFUEE-AWEZNQCLSA-N 436.486 4.089 5 20 IIBD O=[N+]([O-])c1cc(CN(c2nccs2)S(=O)(=O)c2ccc(Cl)nc2)ccc1Cl 768517784 TYGGFBYNQYONEU-UHFFFAOYSA-N 445.309 4.149 5 20 IIBD O=C(NC[C@H](O)c1cccc(OCc2ccccc2)c1)c1ccc([N+](=O)[O-])c(Cl)c1 768722472 VXPWKCXXFJSVMV-NRFANRHFSA-N 426.856 4.291 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2C 769629788 GCWUQILSBBZHGL-UHFFFAOYSA-N 431.857 4.101 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 775227695 JTRFHGVPMAGXDB-FUHWJXTLSA-N 434.537 4.303 5 20 IIBD O=C(O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1cc(N2CCOC2=O)ccc1F 776134694 OKROIKQJPWHYFX-HXUWFJFHSA-N 437.383 4.032 5 20 IIBD CC(=O)c1ccc(C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)c(F)c1 776743255 FCVUSEVPLYEAAS-UHFFFAOYSA-N 426.404 4.037 5 20 IIBD CN(CC1(c2ccccc2)CC1)C(=O)c1cc([N+](=O)[O-])ccc1I 781158902 QJRHEFYZLDNJRB-UHFFFAOYSA-N 436.249 4.003 5 20 IIBD Cc1ccccc1CN(Cc1cccnc1)C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781625817 ARTILWXCHAXHOB-HSZRJFAPSA-N 430.464 4.020 5 20 IIBD COc1ccc(N(Cc2ccco2)C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cc1F 781682385 ORUBAPKTSYRNAW-NRFANRHFSA-N 439.399 4.062 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCc1coc(-c2ccc(Cl)cc2)n1 781738281 UABPBNKZNARRJC-UHFFFAOYSA-N 431.788 4.487 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)CC3)cc1Cl 782365351 RYDFMLDYNRGVDJ-STQMWFEESA-N 439.896 4.013 5 20 IIBD O=C1CCCN1c1cccc(CC(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)c1 783030727 YKXXVQSWPALETN-UHFFFAOYSA-N 427.888 4.361 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 784483317 OTLDWNWLPQVGFK-HIFRSBDPSA-N 437.418 4.439 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(N3CCC(Nc4cccc(Br)c4)CC3)cc2N1 788569463 SSNNDBCUVBRTAS-UHFFFAOYSA-N 445.317 4.323 5 20 IIBD CCOC(=O)c1csc([C@@H]2CCCN2Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)n1 790485309 ZFINUHNWRIDCDA-HNNXBMFYSA-N 435.893 4.026 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccccc1C(=O)NCc1ccco1 790704570 RHMOWYIADZLTMI-UHFFFAOYSA-N 431.807 4.092 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)OC[C@@H]1CCN(C(=O)c2ccccc2)C1 801304727 NDIIDTUEPHTCRL-MRXNPFEDSA-N 428.510 4.416 5 20 IIBD C[C@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(N2CCCCC2=O)cc1 810127837 HHRWBXYXPIIDKN-AWEZNQCLSA-N 430.892 4.054 5 20 IIBD C[C@@H](c1ccc(F)cc1)N(C)C(=O)COC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811373060 OIKPQDREGDCILL-JTQLQIEISA-N 429.231 4.417 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCc2cc(Cl)cc(Cl)c2C1 812119201 UUQVZCSSBOSKRU-UHFFFAOYSA-N 448.310 4.369 5 20 IIBD O=C(Nc1ccc(O)cc1)C1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 813481526 WLNJPWJWXQARJO-UHFFFAOYSA-N 438.267 4.098 5 20 IIBD CCO[C@@H]1C[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@@H]1Oc1ccccc1 813525574 XCTFDVYVKBBUGV-NUJGCVRESA-N 425.268 4.256 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC12CCC2 813878355 NCWOXSSCXJNEHY-IBGZPJMESA-N 444.576 4.475 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 814152464 HTHBKZFTQUORCA-GGPKGHCWSA-N 431.533 4.021 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N1CC2(CCC2)[C@H]1c1ccccc1 815799495 VLNOJSCXHKDBLP-QGZVFWFLSA-N 444.285 4.050 5 20 IIBD Cc1c(C(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 817763413 YSFQSWJCCQDTQF-CQSZACIVSA-N 448.273 4.279 5 20 IIBD CCOC(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2Br)c2ccccc2n1 821645653 IWPZMHQFSWSOND-UHFFFAOYSA-N 444.241 4.335 5 20 IIBD COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)Sc1nc2ccc([N+](=O)[O-])cc2s1 827006369 PVVKLICTHLKTBN-JTQLQIEISA-N 446.510 4.291 5 20 IIBD C[C@H](OC(=O)c1cccn1Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 900462700 KKMZOPBALVLLRZ-AWEZNQCLSA-N 427.844 4.282 5 20 IIBD CC(C)(C)OC(=O)NC1(c2noc(CCC(=O)c3cccc([N+](=O)[O-])c3)n2)CCCC1 904418530 PZRLMBVDCVNEHQ-UHFFFAOYSA-N 430.461 4.087 5 20 IIBD COc1ccc(-c2ccc(/C=C3/N=C(c4cccc([N+](=O)[O-])c4)OC3=O)o2)c([N+](=O)[O-])c1 912754138 SRNIWLWIPPJDQH-LICLKQGHSA-N 435.348 4.116 5 20 IIBD COc1ccc(CSCC(=O)O[C@@H](C)C(=O)Nc2cc(C)ccc2C)cc1[N+](=O)[O-] 914801679 SZKQIZZKRYCWFJ-HNNXBMFYSA-N 432.498 4.024 5 20 IIBD C[C@@H](OC(=O)c1cc2ccsc2[nH]1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 914891921 RZZHBPZWKIKKMJ-SNVBAGLBSA-N 442.478 4.445 5 20 IIBD O=C(COC(=O)CCOc1ccc2ccccc2c1)Nc1ccc([N+](=O)[O-])cc1Cl 914914049 FZEZDUZAUONSDL-UHFFFAOYSA-N 428.828 4.352 5 20 IIBD C[C@H](OC(=O)c1csc(Cc2ccccc2)n1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 915454497 OOAVSHTYFZYZOY-LBPRGKRZSA-N 445.884 4.480 5 20 IIBD C[C@@H](Cn1cccn1)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 920457836 DDVTZPBXRDHLQT-IBGZPJMESA-N 447.539 4.069 5 20 IIBD COc1ccc(-c2cc(NS(=O)(=O)c3cccc(F)c3[N+](=O)[O-])ccc2OC)cc1 1317920914 ODUFYDDUITYZCU-UHFFFAOYSA-N 432.429 4.219 5 20 IIBD CC(C)(C)OC(=O)NCc1ccccc1CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 1321014471 CWUUTQRTPAOEFZ-RTBURBONSA-N 429.521 4.090 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CSc3ccc(S(=O)(=O)C(F)(F)F)cc3)n2)cc1 1330773643 IKEGLNIGQAACGB-UHFFFAOYSA-N 445.400 4.231 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2CCCc3cnn(C(C)C)c32)CC1 1338004597 MMOZPWIIEURJGZ-FQEVSTJZSA-N 425.533 4.416 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)NC1(c2ccc(NC(=O)C(C)(C)C)cc2)CCC1 1787704687 YXCZFIGDUQFUJB-UHFFFAOYSA-N 425.485 4.403 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccccc3)CCC2)cc1)c1cc(O)cc([N+](=O)[O-])c1 1790757086 YJGHEXZMXNPDBO-UHFFFAOYSA-N 431.448 4.362 5 20 IIBD Cc1nocc1C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])cc2)CCC1 1792315647 LBKDMHSTOIOVLR-KPKJPENVSA-N 446.463 4.352 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@@H]1c1ccccc1 1802211431 RNDXJKARVACEHT-CMNNGXQRSA-N 445.519 4.050 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)[nH]n1)c1cccc2ccoc12 1821537177 KSUKBIJEZQZWBF-KRWDZBQOSA-N 448.439 4.012 5 20 IIBD CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1826406981 AJUDMZXJOOIAMN-SGWGQVFISA-N 427.545 4.274 5 20 IIBD Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(C)CCC3)CC2)cc1[N+](=O)[O-] 1830362009 JWJBYZOBADVKHW-OAQYLSRUSA-N 441.572 4.256 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc2ccccc12 1847995986 VYNKRMUJWZROIX-ZEQRLZLVSA-N 443.503 4.196 5 20 IIBD O=C(COC(=O)CCC(=O)c1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1Cl 3402826 PTMRIXCUHHKFDZ-UHFFFAOYSA-N 425.224 4.046 5 20 IIBD Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(C)c1 5731809 BJOXXQGQLDIFKI-KRWDZBQOSA-N 425.485 4.304 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)c1 10723296 OFYBMIPKLICTNM-SFHVURJKSA-N 428.488 4.342 5 20 IIBD O=C(COC(=O)COc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1[N+](=O)[O-] 11025093 CJCQWHHGJFEIJC-UHFFFAOYSA-N 433.631 4.116 5 20 IIBD Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]n2)cc1 11494102 CAZJQRYVPJFBHQ-UHFFFAOYSA-N 448.357 4.108 5 20 IIBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(Cc2nc3ccccc3s2)cc1 11710200 DIORVGZYSFGFAM-UHFFFAOYSA-N 446.488 4.164 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)cc1[N+](=O)[O-] 15339828 AICFHTAFZKKMDB-INIZCTEOSA-N 439.493 4.195 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1cccc(Br)c1 15709960 ORXFWGUHMWSHHE-VIFPVBQESA-N 427.638 4.195 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nnc(NCc2ccc(F)cc2)s1 16334848 XPKAKTWASXXZNQ-UHFFFAOYSA-N 433.490 4.237 5 20 IIBD CNc1snc(C)c1C(=O)O[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 16551681 IYJRYYIURSHJLU-SFHVURJKSA-N 440.481 4.247 5 20 IIBD CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 21613117 ZFCCPKNETFYRHU-ZIAGYGMSSA-N 428.441 4.079 5 20 IIBD Cc1nc(Cc2nn(CN(C)Cc3cc([N+](=O)[O-])ccc3Cl)c(=S)o2)cs1 27533284 DUYOQLKAMBJMHF-UHFFFAOYSA-N 425.923 4.212 5 20 IIBD CCn1c(SCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])nc2ccsc2c1=O 27839035 IWBKANZUOKONCG-UHFFFAOYSA-N 443.453 4.288 5 20 IIBD O=C(NCc1cccc(N2CCCC2=O)c1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 31779588 BVXMGDCCOAVOIV-UHFFFAOYSA-N 444.491 4.264 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(CCN2CCSCC2)cc1 61287181 PDYBMUYYPJVPOO-HNNXBMFYSA-N 449.960 4.246 5 20 IIBD COc1cc(C(=O)NCc2ccc(-c3ccc4c(c3)CCO4)cc2)c([N+](=O)[O-])cc1OC 61336318 MATRVQQVWIAVCM-UHFFFAOYSA-N 434.448 4.144 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(C(=O)NCCc2ccccc2)cc1 65126218 LLFNPZKRDINHJX-UHFFFAOYSA-N 432.480 4.008 5 20 IIBD CC[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 69446501 PVILSYKQEDMWHA-OAHLLOKOSA-N 425.514 4.315 5 20 IIBD CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 71934838 JJBRJANWYIPASF-SFHVURJKSA-N 441.553 4.447 5 20 IIBD COc1ccc([C@H](C)NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1Br 216747452 PVXKFQMLNOTWOS-NSHDSACASA-N 433.262 4.267 5 20 IIBD O=C(NCc1ccc(OCC(F)(F)F)cc1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 247351534 WBWUAXYRRHVYLX-UHFFFAOYSA-N 437.418 4.456 5 20 IIBD C[C@H](Cc1nc2ccccc2s1)Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 301073214 FRLLHEQSDBUFCO-CQSZACIVSA-N 446.554 4.032 5 20 IIBD Cc1cc(N(C)CC(=O)Nc2ccccc2Br)c2cc([N+](=O)[O-])ccc2n1 302215229 ZWKLDNVFBRXENU-UHFFFAOYSA-N 429.274 4.289 5 20 IIBD C[C@@H]1CN(CCC2CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC2)C[C@@H](C)O1 427297703 WDEWAGDCVNAZMI-QZTJIDSGSA-N 431.577 4.244 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)NC2CCC(C)(c3ccccc3)CC2)cc1OC 427413294 LPMBWEUIPTVYQR-UHFFFAOYSA-N 442.512 4.259 5 20 IIBD Cc1cc(OCC(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)ccc1[N+](=O)[O-] 430413655 KNDHXCCLHLXPGB-UHFFFAOYSA-N 430.354 4.338 5 20 IIBD COc1ccc(C[C@H](NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c2ccccc2)cc1OC 433945622 IZDZUUYCEILZLN-KRWDZBQOSA-N 438.484 4.172 5 20 IIBD O=C(NCCOCC(F)(F)C(F)F)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 434326052 LGIYFFCCSFINMM-UHFFFAOYSA-N 432.395 4.393 5 20 IIBD O=C(NC[C@H]1CCN(c2ccccc2)C1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436099053 DXIOLIJOHFTCBZ-OAHLLOKOSA-N 433.458 4.216 5 20 IIBD C[C@H]1CCCCN1CCCCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436103709 NENUHQCJBIGJKD-HNNXBMFYSA-N 427.495 4.344 5 20 IIBD COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1ccc([N+](=O)[O-])cc1O)CC2 436860407 GBGRMYJZYIXUEA-NRFANRHFSA-N 440.477 4.167 5 20 IIBD CCCOc1ccc(NC(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1Cl 437056560 LBCDDRGHBVCNPM-UHFFFAOYSA-N 431.876 4.167 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N[C@@H]2CC[C@@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] 438673211 MIVUBMCPISGIFG-FUHWJXTLSA-N 437.525 4.016 5 20 IIBD CCCC(=O)Nc1cccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 438785265 KSKWVZVDVWIZDY-UHFFFAOYSA-N 432.285 4.441 5 20 IIBD Cc1cccc2oc(CCNC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)nc12 439561692 IPUULZHPXLASSD-UHFFFAOYSA-N 433.414 4.382 5 20 IIBD COCc1nc(CNC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c(-c2ccccc2)s1 441005440 ZGPDRKYFFVNDBD-CQSZACIVSA-N 426.498 4.425 5 20 IIBD CC[C@H](CN(CC)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1 441915112 OIDAYETWOQJTAQ-CQSZACIVSA-N 435.427 4.177 5 20 IIBD CC(C)S(=O)(=O)Cc1cccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1 444008088 HHELBWVVDXFFGN-UHFFFAOYSA-N 434.517 4.257 5 20 IIBD CCCCc1ccc(NC(=O)Cc2noc(-c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)n2)cc1 445315340 XNULVVGAZMKJQQ-UHFFFAOYSA-N 446.467 4.354 5 20 IIBD O=C(Cc1noc(/C=C/c2ccccc2[N+](=O)[O-])n1)Nc1ccccc1Br 445482012 ODRZTEMVXQRCFZ-MDZDMXLPSA-N 429.230 4.092 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(CCc3ncc(-c4ccc(F)cc4F)o3)n2)c1 445580963 VXNGCZPLTGSTIA-UHFFFAOYSA-N 442.378 4.296 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CCSc2c(F)cccc21 445746488 ASSVZPFHFHFUGN-HNNXBMFYSA-N 425.279 4.392 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCN1Cc1ccccc1 445942157 ATGKMARWKHNOOK-QAPCUYQASA-N 446.345 4.069 5 20 IIBD O=[N+]([O-])c1ccc(OCCNC2(c3cccc(OC(F)(F)F)c3)CCOCC2)cc1 447313914 DGLMQRJNAHXQLA-UHFFFAOYSA-N 426.391 4.168 5 20 IIBD COc1ccc([C@H](CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)N2CCCCC2)cc1 447517164 RIQPZTUQXCBPHR-BDTNDASRSA-N 427.549 4.100 5 20 IIBD O=C(Nc1ccnc(Oc2ccc(F)cc2F)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 448451084 XHBBKUPEKCFVCR-UHFFFAOYSA-N 429.335 4.084 5 20 IIBD O=[N+]([O-])c1cccc(CN(c2nnc([C@H]3CCCO3)n2Cc2cccs2)C2CC2)c1 461507191 LZXSIUCBBJPXON-LJQANCHMSA-N 425.514 4.317 5 20 IIBD O=C(NC1CC1)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1Cl 463287533 ZHRWKRIDSBVZSV-UHFFFAOYSA-N 427.766 4.412 5 20 IIBD COc1ccc(C[C@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])c2ccc(OC)cc2)cc1 463299679 GDYLUFAJAXAJAK-QFIPXVFZSA-N 449.507 4.148 5 20 IIBD CSc1cccc([C@H](NC(=O)Cn2cc([N+](=O)[O-])nc2C)c2cc(F)ccc2F)c1 464131876 PZOGVMNIJHJMST-FQEVSTJZSA-N 432.452 4.006 5 20 IIBD Cc1c(F)cccc1NC(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 465286988 VWELCFNNFTTZSP-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD COc1cccc(-c2noc([C@@H](C)NC(=O)NCCCCc3ccc([N+](=O)[O-])cc3)n2)c1 465985050 TWOPDTFLEJUECT-OAHLLOKOSA-N 439.472 4.037 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)c1 466619911 RZCCMXMQNHUIRR-UHFFFAOYSA-N 438.465 4.172 5 20 IIBD Cc1nc(-c2ccccc2Br)sc1[C@@H](C)Nc1ncc([N+](=O)[O-])c(N)n1 466814303 QRXMBDORLUDUAN-SECBINFHSA-N 435.307 4.335 5 20 IIBD CC(C)(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 468093444 GZCNGHPCHJYXQA-UHFFFAOYSA-N 430.404 4.438 5 20 IIBD CC(C)OC(=O)C[C@@H]1CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 468141541 GNLUJPYQECJWMC-IBGZPJMESA-N 439.512 4.401 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)c([N+](=O)[O-])c1 468919695 LWFDTIIKAYBDSV-KRWDZBQOSA-N 446.916 4.473 5 20 IIBD O=C(NC[C@@H](O)C1CC1)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 469901517 ZTROYUPTPFTYLV-OAHLLOKOSA-N 426.416 4.266 5 20 IIBD CC[C@@H]1CN(C(=O)c2cc(OC)c(OCCOC)cc2[N+](=O)[O-])CC[C@H]1c1ccccc1 470011018 FKDSIMRPMOQTBQ-IEBWSBKVSA-N 442.512 4.285 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1 470751724 PGTXKLDYXYTRAY-UHFFFAOYSA-N 426.469 4.007 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)c1cc(Br)ccc1Br 477706504 XSGIBRDLKQHNGX-UHFFFAOYSA-N 428.080 4.092 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(OC)c(OC3CCCC3)c2)c(C)c([N+](=O)[O-])c1 485980637 QMXARYXODRXSTP-UHFFFAOYSA-N 428.441 4.272 5 20 IIBD COC(=O)c1cc(NC(=O)N(CCc2ccccc2)Cc2ccncc2)c(C)c([N+](=O)[O-])c1 486872597 IYVITMDNGNMCKI-UHFFFAOYSA-N 448.479 4.362 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)Nc1ccc(OCc2ccccc2)cc1 487934541 XDKWFABBSWQOLZ-UHFFFAOYSA-N 429.432 4.127 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(N2CCOCC2)c1 490683978 KHSQQIFUCDEPME-UHFFFAOYSA-N 429.542 4.110 5 20 IIBD CS(=O)(=O)c1ccc(F)c(CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)c1 500380386 YKIYJEJQIKDHKO-UHFFFAOYSA-N 448.447 4.359 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(C(=O)NCc2ccccc2F)cc1 501400515 QCPIKLLNDIYEQU-UHFFFAOYSA-N 436.443 4.105 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cc(F)ccc1OC[C@@H]1CCCO1 502348432 ZEOYXVCMMMBJSI-SFHVURJKSA-N 446.478 4.490 5 20 IIBD COc1ccc(CNC(=O)NCC2(N[C@@H](C)c3ccccc3)CCCC2)cc1[N+](=O)[O-] 502815921 XIERHIGZZAZYLF-KRWDZBQOSA-N 426.517 4.066 5 20 IIBD COc1cc(C(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)c([N+](=O)[O-])cc1OC 506074125 YXBHGOUOTMKVAS-GOSISDBHSA-N 441.871 4.374 5 20 IIBD Cc1cc(N[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)ccc1C(N)=O 507572677 YNIHHDNBDBVDDI-HXUWFJFHSA-N 438.871 4.447 5 20 IIBD COc1cc(C(=O)N2CCO[C@H]3CCC[C@@H]32)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 509547725 AHEWVOVGDCMTAK-RDJZCZTQSA-N 432.860 4.443 5 20 IIBD CCOc1cc(CNC2CCCC2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 510777178 ABEMAUUAEDUMON-UHFFFAOYSA-N 428.485 4.471 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1OC 511680406 ILAOKZHCXLZDEB-IMJJTQAJSA-N 434.455 4.021 5 20 IIBD CCOc1cc(NC(=O)C(=O)N2CCC[C@@H]2c2cccc(C)c2)c([N+](=O)[O-])cc1OCC 516479082 XLPLROJBBNXEOA-GOSISDBHSA-N 441.484 4.003 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc(CN3CCOCC3)cc2)no1 518343486 FNOYJYSWIOLPKH-AWEZNQCLSA-N 444.875 4.270 5 20 IIBD O=C1C[C@@H](C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)CN1c1ccc(F)cc1F 518893133 NHTUFMBJJNEUFC-CQSZACIVSA-N 429.423 4.202 5 20 IIBD CC(=O)Nc1ccc(-c2csc(NC(=O)c3cc(O)nc4ccc([N+](=O)[O-])cc34)n2)cc1 520381940 KWFUGLZXPQTBIX-UHFFFAOYSA-N 449.448 4.183 5 20 IIBD Cc1cc(CN(C)C(=O)Cn2cc([N+](=O)[O-])cn2)cc(C)c1OCc1ccccc1Cl 522349352 IMHHNXIJONXFNV-UHFFFAOYSA-N 442.903 4.299 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1C[C@H]1c1cccc(Br)c1 522637024 CNURUEKRDJRPSR-LSDHHAIUSA-N 439.693 4.452 5 20 IIBD CCCCNC(=O)C1(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCCC1 523175427 WJBDCPGSJPHMFO-UHFFFAOYSA-N 430.530 4.067 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3cc(F)cc4c3OCOC4)cc2[N+](=O)[O-])C1 523268891 WHARALVSKNMDRQ-GASCZTMLSA-N 443.475 4.013 5 20 IIBD Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 523730267 KMLQRTLANSBMJR-HUUCEWRRSA-N 445.541 4.131 5 20 IIBD CC[C@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 535904937 HPQKLZXNSPQEHL-VXKWHMMOSA-N 434.496 4.064 5 20 IIBD C[C@H](NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 535963844 OJNVJMCXJRFENG-QUPAAXDPSA-N 446.472 4.321 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(c2ccc(F)cc2)CCC1 536475697 HAWNLRYAOIYVCV-UHFFFAOYSA-N 446.500 4.241 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCCC(=O)N1Cc2ccccc2C1 537151012 FZUWKFKJQIEQPF-UHFFFAOYSA-N 427.526 4.148 5 20 IIBD CC[C@@H](NCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1OCC(=O)N1CCCC1 539252374 KKDQDKHTXKQXHD-LJQANCHMSA-N 431.920 4.490 5 20 IIBD Cc1c(NC(=O)CCN[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cccc1[N+](=O)[O-] 539286726 JERBOBWALRRHLL-KRWDZBQOSA-N 447.495 4.230 5 20 IIBD COc1ccc(OC)c(-c2csc(NC(=O)CN[C@@H](C)c3cccc([N+](=O)[O-])c3)n2)c1 540378845 KQEJTXQGHQDUCJ-ZDUSSCGKSA-N 442.497 4.025 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccnc(OCC(F)(F)F)c3)cc2)c(C)c1[N+](=O)[O-] 540637041 JTNOOZKFEQVKFT-UHFFFAOYSA-N 449.389 4.045 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)c1nc(-c2ccccc2)cs1 540642819 HPXSQDWCNOYOPM-OAHLLOKOSA-N 438.509 4.046 5 20 IIBD O=C(Cc1csc(-c2ccc3c(c2)OCO3)n1)NCCc1ccc(Cl)cc1[N+](=O)[O-] 540893343 XULMGFFJSJCINM-UHFFFAOYSA-N 445.884 4.002 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC(CCCn2ccnc2)CC1 541251584 CMFVKYIMOBUZFL-UHFFFAOYSA-N 425.514 4.247 5 20 IIBD COc1ccccc1-c1ccc([C@@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 541740166 DVCIPGXTNVYJMS-QGZVFWFLSA-N 440.521 4.395 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 542093575 NFROVTOCCKEWGJ-NSHDSACASA-N 447.211 4.050 5 20 IIBD C[C@H]1C[C@@H](CCNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)CCO1 543252678 UVHKWOFUMPNBMM-KBPBESRZSA-N 449.554 4.067 5 20 IIBD CCN1CCN(c2ccc(Cl)cc2NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 544401327 MHXAPCDENDREKY-AWEZNQCLSA-N 434.899 4.271 5 20 IIBD Cc1ccc(NC(=O)CS[C@H](C)c2nc(CCNc3ccccc3[N+](=O)[O-])no2)cc1 544564036 ONWPVWINDPNJRI-OAHLLOKOSA-N 441.513 4.374 5 20 IIBD O=[N+]([O-])c1ccc2nc(O)cc(-c3nc(Cc4ccc(Oc5ncccn5)cc4)no3)c2c1 545679458 MIHDZIPFGMVWTJ-UHFFFAOYSA-N 442.391 4.072 5 20 IIBD Cc1c(Cc2noc(CCCCCNC(=O)NC3CCCCC3)n2)cccc1[N+](=O)[O-] 545783195 CYVYHJGQZWVKEX-UHFFFAOYSA-N 429.521 4.222 5 20 IIBD C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[C@@H](OC1CCOCC1)c1ccccc1 546526228 FFYCJKQOMPETQD-KSFYIVLOSA-N 444.503 4.453 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] 552929370 GVAGDNBQGWQWFT-OTWHNJEPSA-N 449.536 4.283 5 20 IIBD CCOC(=O)C(C)(C)C1CCN(C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)CC1 553187498 UHOQUVHKUWBGNV-KRWDZBQOSA-N 445.560 4.273 5 20 IIBD CCc1nc(CN(c2ccc([C@H](C)CC)cc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)no1 553702852 HNBJMSHSGYVGEP-OAHLLOKOSA-N 444.513 4.449 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 553769665 XNOAKNRCLIHVJR-WMLDXEAASA-N 441.534 4.359 5 20 IIBD CCN(C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCOC(C)(C)C1 555177216 MHVZOPMPIIACFY-AWEZNQCLSA-N 432.443 4.015 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1C[C@@H](O)C[C@@H]1c1cccc(F)c1 557726605 QRKLZLPXVHRHOE-WMLDXEAASA-N 432.249 4.357 5 20 IIBD CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)c1cc(OCC)ccc1[N+](=O)[O-] 565962605 PVKJROMHSLJOQW-UHFFFAOYSA-N 444.875 4.348 5 20 IIBD CN1CCC[C@]2(CCN([C@H](C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c3ccccc3)C2)C1 571065391 WJWMKYSFFNBDDV-GMAHTHKFSA-N 442.947 4.346 5 20 IIBD COc1ccc(CSCC(=O)N[C@H]2c3ccccc3CC23CCOCC3)cc1[N+](=O)[O-] 573381513 LFEUTWFNONGCFF-QFIPXVFZSA-N 442.537 4.047 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2nccn2Cc2ccccc2Cl)cc1SC 582261159 CLEDAAQTYUJOPX-UHFFFAOYSA-N 432.889 4.476 5 20 IIBD C[C@@H](Sc1nnc(-c2ccc(OC(F)F)cc2)o1)C(=O)Nc1ccccc1[N+](=O)[O-] 594669251 OBGBOXNVSKUVHE-SNVBAGLBSA-N 436.396 4.366 5 20 IIBD CCNc1ccc(C(=O)Nc2ccc(I)cc2C)cc1[N+](=O)[O-] 603464875 UTBIFNFROQMRLL-UHFFFAOYSA-N 425.226 4.192 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccnc2Oc2ccccc2)cc1OC 603620168 OSCKYUCYYNVOLZ-UHFFFAOYSA-N 439.424 4.068 5 20 IIBD C[C@@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccc(OCc2cccnc2)cc1 603748432 QNURFHZQIIGQKG-QGZVFWFLSA-N 435.484 4.041 5 20 IIBD CCc1cccc(Cc2cnc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)s2)c1 603772233 MRRQOHQYVTVXIH-UHFFFAOYSA-N 425.466 4.228 5 20 IIBD CC(C)[C@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 608810529 MYIMFQIEMNTSJK-SFHVURJKSA-N 433.390 4.321 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)n(-c2cccc(C(F)(F)F)c2)n1 608936084 JJLNQYKQOZHAPC-UHFFFAOYSA-N 448.357 4.131 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc([C@@H](C)N2CCOCC2)c1 609182630 BWVPNIFIHYWXFR-CABCVRRESA-N 433.892 4.047 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3nc(-c4ccsc4)no3)cc2)c1 609474039 AOWMANLQPPVUIM-UHFFFAOYSA-N 428.451 4.174 5 20 IIBD CCc1ccc(OCC(=O)Nc2ccc(I)cc2C)c([N+](=O)[O-])c1 609650830 CTCUNWZAQICVRZ-UHFFFAOYSA-N 440.237 4.088 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 609705834 MWKNAHNNVPCSEJ-GDLZYMKVSA-N 444.534 4.153 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(C(F)(F)F)(C(F)(F)F)C1 609757379 YTTCEDBLZXYLOW-UHFFFAOYSA-N 434.720 4.360 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 609787588 KJRADZKYYVGQIO-CQSZACIVSA-N 427.810 4.205 5 20 IIBD O=C(Nc1n[nH]c(-c2ccccc2Cl)n1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 609826473 XYFJFFBCODAQRQ-UHFFFAOYSA-N 441.753 4.227 5 20 IIBD C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 610066506 JBYKEUJYFZOQQR-KRWDZBQOSA-N 425.529 4.150 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSc1nnc(-c2ccc(Cl)s2)o1 610167559 LMWUFXQOEBCQNX-UHFFFAOYSA-N 438.874 4.450 5 20 IIBD COc1cc(C(=O)N[C@@H]2C[C@]2(C)c2ccccc2)c([N+](=O)[O-])cc1OCc1cscn1 610191449 ZJSBRRHDPPUTEH-IFMALSPDSA-N 439.493 4.099 5 20 IIBD COc1ccc(CSCC(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)cc1[N+](=O)[O-] 610303877 YPOCVPWEQXZSNF-UHFFFAOYSA-N 446.916 4.374 5 20 IIBD CN(C)CCC(=O)Nc1ccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 610910617 XLNUUBIYBNRKPV-UHFFFAOYSA-N 425.514 4.221 5 20 IIBD COC(=O)Cc1cccc(NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n1 616204941 RVDCBCJNVUUSJX-UHFFFAOYSA-N 443.463 4.170 5 20 IIBD O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCCNc2ncc(C(F)(F)F)cc2Cl)n1 618571618 ZTUMAOGMVDZLMC-KGLIPLIRSA-N 432.834 4.044 5 20 IIBD O=C(COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])Nc1ccc(Oc2ccccc2)cc1 725936806 KWSXWUXCIWIRRM-UHFFFAOYSA-N 428.347 4.461 5 20 IIBD C[C@@H]1CCN(C(=O)c2ccc(I)c([N+](=O)[O-])c2)[C@@H]2CCCC[C@H]12 727749969 WKCNBECIYKFEDU-UXIGCNINSA-N 428.270 4.240 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)/C=C/c1cccc(OC2CCCC2)c1 727887220 QDQJEHJHYXKILZ-FMIVXFBMSA-N 440.452 4.120 5 20 IIBD CCOc1ccc(Br)cc1NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] 728017050 GXPSKAHALSWZAJ-UHFFFAOYSA-N 435.683 4.210 5 20 IIBD CCc1ccc([C@@H](C)NC(=O)[C@@H](C)OC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])cc1 728656478 KZMDPLGZSZSZKB-ZIAGYGMSSA-N 446.525 4.310 5 20 IIBD COc1ccccc1C/C(C)=C\C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 730346465 UOZPAGWYSSIKMD-FZDNWWAKSA-N 432.860 4.316 5 20 IIBD COc1ccc(CN(C)C(=O)[C@H](OC(=O)c2c(Cl)cccc2[N+](=O)[O-])C(C)C)cc1 730645399 ZYOKUYALSUUSGT-LJQANCHMSA-N 434.876 4.097 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC([C@H](O)c2ccc(F)cc2)CC1 731035730 XIRAWWISAVUTKG-ZUOKHONESA-N 435.883 4.160 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCC[C@@H](c3nnc(S)n3C)C2)cc1[N+](=O)[O-] 732075866 HTKBMLNFNYLRDA-OAHLLOKOSA-N 449.602 4.170 5 20 IIBD CCN(Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1)C(=O)OC(C)(C)C 732525750 FXEOJZPTKJMWQI-UHFFFAOYSA-N 435.502 4.153 5 20 IIBD Cc1occc1C(=O)Nc1nc(CC(=O)OCc2cc([N+](=O)[O-])ccc2Cl)cs1 734781829 DKEXACJRSQFAKI-UHFFFAOYSA-N 435.845 4.144 5 20 IIBD C[C@@H](OC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)C(=O)Nc1ccc(C(C)(C)C)cc1 735352535 KOBNRLNJEJWKJR-CYBMUJFWSA-N 437.452 4.330 5 20 IIBD Cc1ccccc1-n1c(SCc2cc([N+](=O)[O-])ccc2Cl)nnc1N1CCOCC1 735414246 LGBKEPRUOKVHOO-UHFFFAOYSA-N 445.932 4.266 5 20 IIBD CN(C)C(=O)c1ccc(OC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cc1 736001735 VMCWDIZWYALPNJ-UHFFFAOYSA-N 449.250 4.008 5 20 IIBD CCOC(=O)N1[C@H](C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@H]1c1ccc(C)o1 736462320 WWVZOGBVLZNRAP-ROUUACIJSA-N 449.891 4.470 5 20 IIBD COc1cc(N2CCC(OC(=O)Cc3cccc(OC(C)C)c3)CC2)ccc1[N+](=O)[O-] 739382618 ZUNISAHMRMWKCE-UHFFFAOYSA-N 428.485 4.145 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1cccc(CSC(C)C)c1C 742088998 XZRYCSLWTXVWGU-UHFFFAOYSA-N 432.498 4.383 5 20 IIBD CN(C(=O)COC(=O)c1cc(F)ccc1[N+](=O)[O-])[C@@H](c1ccccc1)c1ccc(F)cc1 743197306 LATMXPBUPLGJGM-QFIPXVFZSA-N 440.402 4.278 5 20 IIBD COc1ccc(Cl)cc1NCCC(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 744156180 AXQILLCNSMWPAI-UHFFFAOYSA-N 431.832 4.457 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O[C@H](C)c1nc(Cc2ccccc2)no1 744869366 JCJUNPZERAJBJT-CHWSQXEVSA-N 431.832 4.294 5 20 IIBD Cc1ncc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c(C(C)C)n1 745038954 SXKZFQHORIYPOI-SNVBAGLBSA-N 440.378 4.019 5 20 IIBD C[C@H](OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1nc2ccc(Cl)cc2n1C 750222523 PLXRIRAZOPMGNO-LBPRGKRZSA-N 425.832 4.239 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Oc2ccc(-c3cscn3)cc2)ccc1[N+](=O)[O-] 750751923 IMEFTVAHMBYDOH-FQEVSTJZSA-N 437.477 4.237 5 20 IIBD O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)c1ccc(Br)cc1[N+](=O)[O-] 751068327 NYXOKIYKZDBRIV-AWEZNQCLSA-N 434.073 4.128 5 20 IIBD CCn1c([C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)nc2ccccc21 751231402 TWYAZVHYMLHQMO-GOSISDBHSA-N 437.456 4.467 5 20 IIBD O=C(NCCCOc1cccc2cccnc12)c1cc(F)cc([N+](=O)[O-])c1Br 754968164 PGDYOZBERWWOKD-UHFFFAOYSA-N 448.248 4.244 5 20 IIBD CCOc1cc(COC(=O)c2cccc([N+](=O)[O-])c2Br)ccc1[N+](=O)[O-] 755568908 UQEMNKZDJFQOLN-UHFFFAOYSA-N 425.191 4.021 5 20 IIBD CN(C[C@H]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1)C(=O)OC(C)(C)C 762585158 VCXJWWAMPFJTCN-OAHLLOKOSA-N 437.512 4.117 5 20 IIBD CC(C)(C)OC(=O)NCc1cccc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1 763571484 BBNNBWRVXXXMRP-UHFFFAOYSA-N 437.456 4.058 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 767881138 FMDJHASJIZCUGY-OAHLLOKOSA-N 437.418 4.440 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)O[C@@H](c1ccccc1)c1nccs1 770179446 WHNQOVNTDFNCPP-IBGZPJMESA-N 439.449 4.072 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCC[C@@H](C[C@H]3CCOC3)C2)c1=S 773258655 HXJSIZLDNWETPM-DLBZAZTESA-N 431.562 4.105 5 20 IIBD C[C@H]1C[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCN1C(=O)OC(C)(C)C 773788239 PDFBIHXJGZUHTA-DZGCQCFKSA-N 446.529 4.236 5 20 IIBD O=C(O[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cc([N+](=O)[O-])ccc1F 776375275 DIBADSDKVIFTDV-QGZVFWFLSA-N 440.349 4.101 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)C[C@@H](C)C(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 777216292 RYXYLJXWNPHOMH-CHWSQXEVSA-N 448.859 4.036 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 780035680 PEMPQCDZXULAHG-GJZGRUSLSA-N 437.562 4.472 5 20 IIBD O=C(OCCNc1ccc(C(F)(F)F)cn1)c1ccc2[nH]c3ccccc3c(=O)c2c1 781509086 VWFDJJACIGFSEC-UHFFFAOYSA-N 427.382 4.364 5 20 IIBD CC1(NC(=O)OC(C)(C)C)CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 781776079 OZDVWOMYPHKDET-UHFFFAOYSA-N 431.411 4.133 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1 783363143 MKUQNCKILWBOAD-UHFFFAOYSA-N 448.262 4.495 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N2CCC[C@H]2c2ccsc2)cc1[N+](=O)[O-] 784663672 GDQOYWDPXFTWNF-AWEZNQCLSA-N 438.303 4.029 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N(C)CCC2CCCCC2)cc1[N+](=O)[O-] 784700872 VSHCSTONKWQHKL-UHFFFAOYSA-N 426.311 4.033 5 20 IIBD CCOC(=O)C1(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CCCC1 785149412 CUIPKRPCHQUYFY-UHFFFAOYSA-N 426.469 4.027 5 20 IIBD Nc1ccc([N+](=O)[O-])cc1C(=O)NC1(c2ccc(OCc3ccccc3)cc2)CCOCC1 787023583 AMJJEWYHDKOLGJ-UHFFFAOYSA-N 447.491 4.192 5 20 IIBD O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc(Br)c(Cl)c2)c1Cl 788216660 NNTJDYCVQMICGL-UHFFFAOYSA-N 426.075 4.465 5 20 IIBD COc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)NCc2cccc([N+](=O)[O-])c2C)c1 790563513 CRPIMDLUDGQQSS-DEOSSOPVSA-N 449.507 4.357 5 20 IIBD C[C@H](OC(=O)c1nc(Br)ccc1Br)c1cccc([N+](=O)[O-])c1 791559298 NDOKOQFWUGZQQE-QMMMGPOBSA-N 430.052 4.433 5 20 IIBD CC(C)(NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1[N+](=O)[O-] 795217261 BMZDTVGTUKWYIN-UHFFFAOYSA-N 441.469 4.090 5 20 IIBD CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cc1 795300786 SCOWSYCDHZJPNR-UHFFFAOYSA-N 443.884 4.107 5 20 IIBD COCCCCN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cn1 798243146 YCTZFGTYSUUDFI-WDZFZDKYSA-N 434.290 4.225 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN(C)CCc2cccc([N+](=O)[O-])c2)c1=S 800866125 SXMTXGUVECCMBB-UHFFFAOYSA-N 442.501 4.049 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 801970585 OTWNEFVGWAHPAQ-UHFFFAOYSA-N 438.202 4.458 5 20 IIBD O=C(Nc1ccccc1)c1cccc(C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 803908412 BWBXHSPCTYEHMM-UHFFFAOYSA-N 444.403 4.254 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(CNc2ccc(OC)c(NC(=O)OC(C)(C)C)c2)c1 811469310 AZKYVXCAVMFNPY-UHFFFAOYSA-N 431.445 4.349 5 20 IIBD O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@@H](c1ccc(F)cc1)N1CCOCC1 811471471 CHQZWYZIIBMRIN-SFHVURJKSA-N 428.291 4.204 5 20 IIBD CC(C)(C)OC(=O)NCCC[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1 812397290 LNDFFSZBCPPDMX-LJQANCHMSA-N 429.473 4.076 5 20 IIBD CC(C)C(=O)Nc1cc(C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)ccn1 814815005 ITUFUGXILKZGGL-UHFFFAOYSA-N 448.435 4.056 5 20 IIBD O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CCCc2cc(OC(F)F)ccc21 814997433 OGTRORJDYLYWBC-UHFFFAOYSA-N 436.795 4.130 5 20 IIBD CCc1nc2ccccc2n1[C@H]1CCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 819475125 GWKQAADSCPJIHD-FQEVSTJZSA-N 444.495 4.170 5 20 IIBD Cc1nn(C)c(Cl)c1C(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 821794794 MNVYXEJMKQIMTP-UHFFFAOYSA-N 449.250 4.415 5 20 IIBD C[C@@H](OC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C(=O)Nc1ccccc1Br 857831290 PYPQATZQZVIFAT-SNVBAGLBSA-N 432.230 4.023 5 20 IIBD CN(C)C(=O)c1ccccc1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 914737881 HWURXEREARDJQY-UHFFFAOYSA-N 427.404 4.046 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N[C@H](CN1CCOCC1)c1ccccc1 914863431 UTSGOAAEQLZCPQ-OAHLLOKOSA-N 440.378 4.007 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)n(C)n1 915149342 DZOZZSDOSMULCJ-UHFFFAOYSA-N 433.512 4.348 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCc2cnn(Cc3ccccc3)c2)CC1 915652266 RHDDMLIAKOKMBM-UHFFFAOYSA-N 433.512 4.006 5 20 IIBD COc1ccc([N+](=O)[O-])cc1OC(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1 916039195 PCYRXQHEHLRVHG-UHFFFAOYSA-N 441.461 4.105 5 20 IIBD O=C(NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(CSc2ccccc2)cc1 916785468 ABCMAMAHPJQPHW-UHFFFAOYSA-N 442.518 4.147 5 20 IIBD O=C(Nc1ccccc1)C(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 916950979 GJCRQEHYRUAYLZ-UHFFFAOYSA-N 439.811 4.045 5 20 IIBD COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)OCCn2c([N+](=O)[O-])cnc2C)cc1 917943489 MGUCEDHMSFWZTM-UHFFFAOYSA-N 448.479 4.433 5 20 IIBD O=C(OCc1cccc(C(=O)N2CCCCC2)c1)c1ccc(Br)c([N+](=O)[O-])c1 917957469 DNBYZFTVRREXHT-UHFFFAOYSA-N 447.285 4.340 5 20 IIBD C[C@H](Sc1ccccc1Cl)C(=O)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 920148020 OSEIYRQUPNLLKP-NSHDSACASA-N 443.308 4.355 5 20 IIBD C[C@@H](OC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)C(=O)N(C)c1ccccc1 920544631 DLXSDGPDHURFLF-IAGOWNOFSA-N 448.479 4.371 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 1116149410 LXBAYMJGUVKDCB-JTQLQIEISA-N 425.666 4.320 5 20 IIBD NC(=O)CCc1ccc(NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 1254040882 VJVFNOSMQRGHAO-UHFFFAOYSA-N 441.491 4.478 5 20 IIBD COC(=O)[C@@H](OC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1Cl 1319023626 IYANOMCQYFKGAH-AWEZNQCLSA-N 428.622 4.082 5 20 IIBD C[C@H](OC(=O)[C@H](C)OC1CCCCC1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 1321327898 AFTFRTNJVJHCNW-KBPBESRZSA-N 447.513 4.326 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3sccc3F)cc2)CCC1)c1ccc([N+](=O)[O-])[nH]1 1786522644 UNYZPPFRYSFRAO-UHFFFAOYSA-N 428.445 4.185 5 20 IIBD O=C(/C=C/C1CC1)NC1(c2ccc(NC(=O)Cc3cc([N+](=O)[O-])ccc3F)cc2)CCC1 1786669894 KIGLVOLHDODGPN-NYYWCZLTSA-N 437.471 4.377 5 20 IIBD C[C@@H]1CCC[C@H]1C(=O)Nc1ccc(C2(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)CCC2)cc1 1789214614 WMGXVMZROAHABA-QVKFZJNVSA-N 437.496 4.484 5 20 IIBD C/C=C/C=C\C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(OC)c3)cc2)CCC1 1792165944 RXXBUZPVVZSIKP-BZDQXIRASA-N 435.480 4.483 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCCC2(CCN(C(=O)CC3CCCC3)CC2)C1 1805682032 FLSPRMDKOWFCEG-SOFGYWHQSA-N 429.517 4.013 5 20 IIBD C[C@@H]1CCC[C@@H]1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)n[nH]1 1821166509 XKEWFSQQBRXERN-FMEYXAORSA-N 443.479 4.199 5 20 IIBD Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@]3(C)C[C@H]3C)CC2)cc1[N+](=O)[O-] 1830364578 DALAYRCSOVEVPE-IOZGHAEBSA-N 441.572 4.112 5 20 IIBD C[C@@H](OC(=O)c1cc(Br)ccc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 17727545 WCHMEPUYBAMFDN-SECBINFHSA-N 436.193 4.464 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2ccc(C(C)(C)C)cc2)cc1OC 18968987 FUKUUVYYHQJPDH-UHFFFAOYSA-N 430.457 4.095 5 20 IIBD COc1cc(CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C2CC2)ccc1OC(F)F 25929443 YUCNPSSWWNRUGC-UHFFFAOYSA-N 446.410 4.419 5 20 IIBD CC(C)Cc1noc(COC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 25991384 MVWPQBHZCRYHOA-UHFFFAOYSA-N 443.843 4.418 5 20 IIBD Cc1cccc(-c2nc(CC(=O)O[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)cs2)c1 26767685 OCCNZRIECJKDIK-OAHLLOKOSA-N 439.493 4.448 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCC(c4nncn4C)CC3)cc2[N+](=O)[O-])cc1 30859824 WIAGLSMVYBWOTE-UHFFFAOYSA-N 437.525 4.203 5 20 IIBD O=[N+]([O-])c1cccc(OCCSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)c1 46875597 VWQNKNYOYLHPOL-MRXNPFEDSA-N 432.527 4.265 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])NCc1cccc(Cn2cnc3ccccc32)c1 63676910 AIEOSYSWPVEEHY-UHFFFAOYSA-N 430.464 4.078 5 20 IIBD Cc1nc(CCNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])sc1C 301638384 AOOFZVNJACQXLP-UHFFFAOYSA-N 432.527 4.124 5 20 IIBD CCc1nc2ccccc2n1C1CCN(c2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])CC1 301954947 KCECXZYUGAVHPV-UHFFFAOYSA-N 439.472 4.057 5 20 IIBD Cc1cc(N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c2cc([N+](=O)[O-])ccc2n1 302204122 WFSPXNREZGABBS-UHFFFAOYSA-N 425.876 4.355 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(-c2nc3ccccc3s2)o1 302586716 AAKSWMWKZJSGIF-UHFFFAOYSA-N 429.479 4.480 5 20 IIBD O=C(c1ccccc1)c1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c1 303501298 RLJYBPOOJZXUTE-SFHVURJKSA-N 449.488 4.131 5 20 IIBD Cc1cccc(-c2ccc(CNC(=O)CSc3ccc(C(N)=O)cc3[N+](=O)[O-])cc2)c1 303647932 CZNJQFPYZLTGIT-UHFFFAOYSA-N 435.505 4.078 5 20 IIBD C[C@@H](c1ccccc1C(F)(F)F)[C@@H](C)NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 426251949 LSUHFBIBFMDSOP-ZIAGYGMSSA-N 439.438 4.349 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 426854962 CNAAXDWPYUKLRJ-QFIPXVFZSA-N 439.903 4.397 5 20 IIBD C[C@@H]1CCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCS1 427921564 GFBYWINQZYNDCY-QGZVFWFLSA-N 436.537 4.344 5 20 IIBD Cc1cccc(C)c1[C@H](C)NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C 430333733 BMWRHJSGTWQHPG-ZDUSSCGKSA-N 434.290 4.098 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H](Cc1ccc2ccccc2c1)C(=O)O 431525628 PZGVONXIAXHUNG-SFHVURJKSA-N 426.856 4.004 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 431550775 QBWNQYCFCGKVKJ-UHFFFAOYSA-N 446.529 4.214 5 20 IIBD CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c1 432321100 DBKNGJBMALQWGM-HKBQPEDESA-N 441.509 4.208 5 20 IIBD C[C@@H]1Cc2ccccc2N1CCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436238593 JPAUWNIINRVBSO-CQSZACIVSA-N 433.458 4.141 5 20 IIBD O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437139364 WRFCCBBHEBIFFD-UHFFFAOYSA-N 435.402 4.170 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC(N2CCc3ccccc3C2)CC1 437667853 QVSIAIOQMOOAJV-UHFFFAOYSA-N 433.430 4.277 5 20 IIBD COc1ccc(CSCC(=O)NCc2cc(Br)ccc2C)cc1[N+](=O)[O-] 438920351 SPRALOBDWBUQNY-UHFFFAOYSA-N 439.331 4.224 5 20 IIBD Cc1c(CC(=O)Nc2cc(NC(=O)CN3CCCC[C@@H]3C)ccc2F)cccc1[N+](=O)[O-] 439069532 UGFKRJJNKBIPLC-HNNXBMFYSA-N 442.491 4.036 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CCc1ccccc1F)C1CCCC1 439815822 NQWGTGYCVQZDPK-UHFFFAOYSA-N 443.475 4.085 5 20 IIBD CC(=O)N[C@@H](C)C1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 442745181 IVXSZNIVTHQJOI-HNNXBMFYSA-N 427.526 4.123 5 20 IIBD CCN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1S(=O)(=O)CC 443986113 FRAMDKSQBLCHHC-UHFFFAOYSA-N 445.522 4.179 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1cc(OC)c(Br)c(OC)c1 444909047 RXFIMDYUFDIDIE-UHFFFAOYSA-N 426.223 4.027 5 20 IIBD CCCN(C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)[C@@H]1C[C@H](OCC)C12CCCC2 446905325 GUEULWZDXMWYLX-MOPGFXCFSA-N 429.521 4.131 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CC3(CCC3)c3c(F)cccc32)c(C(F)(F)F)c1 447007061 OIRTXSRDNAIKRO-UHFFFAOYSA-N 430.379 4.383 5 20 IIBD CCc1cc(N2CCC(Nc3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])CC2)ncn1 447694078 PQUWUJBICBVAMF-UHFFFAOYSA-N 446.380 4.077 5 20 IIBD Cc1ccc(NS(C)(=O)=O)c(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c1 461036042 DTVXGEPXNDQLQF-UHFFFAOYSA-N 440.481 4.271 5 20 IIBD COCCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCO1)[C@H]1CC[C@@H](C)C1 461863922 GHGWWMKKUQQPLK-LMNJBCLMSA-N 443.548 4.064 5 20 IIBD C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 462489692 ZCOVMAGISJVYDX-MRXNPFEDSA-N 441.509 4.170 5 20 IIBD COc1ccc(CN2CCC(CNC(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)CC2)cc1 463946521 AGVNFIHTYKJOAX-UHFFFAOYSA-N 426.517 4.254 5 20 IIBD Cc1ccc(CSCCNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 465621617 AVGKGNHGUFRMFS-UHFFFAOYSA-N 429.542 4.389 5 20 IIBD COc1cc(C(=O)N2CC[C@H](c3c(F)cccc3F)C2)c([N+](=O)[O-])cc1OC(F)F 468863806 GEWPSTMZWSSTQJ-JTQLQIEISA-N 428.338 4.113 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(NC(=O)CCN2CCCCC2)c1 470875929 MIFRJWKTPWZVIA-UHFFFAOYSA-N 440.500 4.060 5 20 IIBD Cc1ccc([C@H](C)NC(=O)c2cc(F)c(F)cc2I)cc1[N+](=O)[O-] 471907486 OPTRGUBYVXTOFE-VIFPVBQESA-N 446.191 4.277 5 20 IIBD COc1cc(C(=O)N[C@H](C)c2ccc(Cl)cn2)c([N+](=O)[O-])cc1OCc1cscn1 473169512 CJCSENQBHQAJBQ-LLVKDONJSA-N 448.888 4.178 5 20 IIBD COc1cc(CN2CCN(C(=O)c3cc4ccccc4c4cccnc34)CC2)cc(OC)c1 474728859 FFCKSMLLYPMGBH-UHFFFAOYSA-N 441.531 4.363 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(F)(F)F 477116488 XLMHLZBNAUQWFN-SFHVURJKSA-N 434.374 4.136 5 20 IIBD Cc1nc(C)c(-c2csc(NC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)n2)s1 480527232 KSZBRTPABHIEJM-UHFFFAOYSA-N 426.483 4.230 5 20 IIBD O=[N+]([O-])c1cccc(CS(=O)(=O)NCCc2c[nH]c3cc(Cl)cc(Cl)c23)c1 480878278 RVKVMMWCZXTEBJ-UHFFFAOYSA-N 428.297 4.045 5 20 IIBD Cc1cccc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1C(=O)N1CCCC1 481714851 OYIJLDXZEODAOK-UHFFFAOYSA-N 430.892 4.157 5 20 IIBD Cc1ccccc1CCc1cc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)n[nH]1 484851120 PANQSZYDOLAIDH-UHFFFAOYSA-N 430.468 4.064 5 20 IIBD CCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H](C)Cc1ccccc1C(F)(F)F 485269829 DYOCVUWCFCLTSM-CYBMUJFWSA-N 437.418 4.340 5 20 IIBD C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCN(Cc2ccccc2)C1 487376628 WWQYSCFYINTDMU-QFBILLFUSA-N 436.537 4.359 5 20 IIBD Cc1ccc([C@H](C)NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1[N+](=O)[O-] 488102777 HXSDTFPEVZXDIM-KRWDZBQOSA-N 442.475 4.152 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(CN2CCCC2)ccc1C 489199977 YXVUJEAVVGAUTQ-UHFFFAOYSA-N 429.542 4.490 5 20 IIBD COc1cc(CN2CCC[C@@H](N3[C@@H](C)CC[C@H]3C)C2)c([N+](=O)[O-])cc1OCC(F)F 491065231 KAJASNBOBSZVQS-HLLBOEOZSA-N 427.492 4.085 5 20 IIBD COc1cccc(Cc2nnc(NC(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)s2)c1 493105308 LQWBEYPHIAMTEF-ZDUSSCGKSA-N 427.486 4.237 5 20 IIBD CC(C)c1nc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)nn1-c1ccccc1F 498149465 KZRAURUVWCWCPM-OAQYLSRUSA-N 441.488 4.326 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)cc1[N+](=O)[O-] 499397884 PXQBQGNAUAFUPK-UHFFFAOYSA-N 447.894 4.283 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CCC[C@](C)(c3ccccc3)C2)ccc1[N+](=O)[O-] 499872002 ITXMNOABGJECEG-RDGATRHJSA-N 435.524 4.088 5 20 IIBD CCNc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1[N+](=O)[O-] 499985288 CJYXJRCQUYWHSN-UHFFFAOYSA-N 438.406 4.134 5 20 IIBD O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)Nc1ccc([N+](=O)[O-])cc1Cl 501130172 WZCCYNFQGBGOJP-SFHVURJKSA-N 439.299 4.097 5 20 IIBD O=C(N[C@H](c1ccc2c(c1)OCCO2)C1CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 501682453 YMJCADBPLRNGEW-FQEVSTJZSA-N 437.477 4.371 5 20 IIBD Cc1occc1C(=O)Nc1nc(CC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cs1 501981432 WJJWEHUWORQDRS-UHFFFAOYSA-N 442.497 4.185 5 20 IIBD Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 502034405 PGTPLQXFEZLEDG-FQEVSTJZSA-N 439.447 4.142 5 20 IIBD COc1cc([C@@H](C)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)ccc1OCc1ccncc1 502710020 BMBNHBQRYPMOSY-OAHLLOKOSA-N 437.452 4.077 5 20 IIBD O=C(Nc1cc(Cl)ccc1-n1cccn1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 502737144 BTIBFBPTGFATLQ-UHFFFAOYSA-N 425.876 4.289 5 20 IIBD O=C(Nc1cccc(OCc2cscn2)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 504983519 RGFSKIMEJMKULJ-UHFFFAOYSA-N 438.509 4.485 5 20 IIBD COc1ccc2cc([C@@]3(C)NC(=O)N(Cc4c(F)cc([N+](=O)[O-])cc4F)C3=O)ccc2c1 505456113 VWSLXMUXDVWUEW-JOCHJYFZSA-N 441.390 4.002 5 20 IIBD CCOc1cc(C(=O)NCCCO[C@@H]2CCCc3ccccc32)c([N+](=O)[O-])cc1OC 505555469 NHOQYUOYYCIAKV-HXUWFJFHSA-N 428.485 4.216 5 20 IIBD COc1ccc(C(=O)C2CCN(Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CC2)cc1 506648158 JZZRGKSPGKDUBK-UHFFFAOYSA-N 434.496 4.099 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F)c1cccc([N+](=O)[O-])c1 507154554 OFKPQENVQMLDEA-JTQLQIEISA-N 445.781 4.005 5 20 IIBD Cc1cc(C(=O)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)c(C)n1CCc1cccs1 508506224 CEZCVXKQRCYIGJ-UHFFFAOYSA-N 435.509 4.459 5 20 IIBD Cc1cc(Sc2ncccn2)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C 509555896 MEDSNLQTGORDBG-UHFFFAOYSA-N 430.511 4.262 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-] 509681315 URTLJVSOFYFCEH-UHFFFAOYSA-N 432.318 4.014 5 20 IIBD COCc1ccc(OC)c(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 509869453 JRLFJKWSXYTHNZ-UHFFFAOYSA-N 442.493 4.145 5 20 IIBD CN(C)C(=O)c1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1Cl 510170430 PSQRSRGHVXKOFK-UHFFFAOYSA-N 445.781 4.143 5 20 IIBD CSc1ncc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)n1-c1ccc(F)cc1 514721001 LAQKFSSAUWJSJZ-UHFFFAOYSA-N 444.444 4.055 5 20 IIBD C[C@H](NC(=O)c1cccc(NC(=O)c2ccc3nc[nH]c3c2)c1)c1cccc([N+](=O)[O-])c1 516317156 CNOWGHYZQNLSOS-AWEZNQCLSA-N 429.436 4.214 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)cc([N+](=O)[O-])c1 517765210 VTFVVDGTQLKKJA-UHFFFAOYSA-N 427.800 4.474 5 20 IIBD COc1ccc(S(=O)(=O)[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)cc1 519530388 BGCSTEIWJRPVFW-NRFANRHFSA-N 440.477 4.066 5 20 IIBD C[C@@H]1C[C@H](N(C)c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CCN1Cc1ccccc1 523088655 UWLKRPHLHLUTPT-WIYYLYMNSA-N 447.539 4.049 5 20 IIBD O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1Br 523510194 WLZXFYKCFGIWIH-UHFFFAOYSA-N 440.681 4.100 5 20 IIBD CC[C@H](Cc1ccccc1)NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] 524329965 LWTOHBLHNITARN-MRXNPFEDSA-N 441.509 4.390 5 20 IIBD COc1ccc(C)cc1-c1csc(NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)n1 525005760 QPDRKRBMPKMWHR-UHFFFAOYSA-N 429.454 4.305 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](CC(=O)N(C)C)c2cc(Cl)ccc21 525024177 PLHXRRVPTCRORU-KBPBESRZSA-N 447.944 4.338 5 20 IIBD Cc1cccc([C@H]2CCCN2C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1C 525073898 OPAYUHJLKFSJPU-GOSISDBHSA-N 437.525 4.469 5 20 IIBD Cc1c(C(=O)N[C@H](C)c2ccccc2NS(=O)(=O)c2cccs2)cccc1[N+](=O)[O-] 532829756 MHGCOSQFUNMDAM-CQSZACIVSA-N 445.522 4.257 5 20 IIBD C[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H](OC1CCOCC1)c1ccccc1 534728246 KKSOPTIEZKIGAW-VOIUYBSRSA-N 437.496 4.060 5 20 IIBD CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)CSc1ccccc1[N+](=O)[O-] 543159950 VEYUJNLBPAHJEM-UHFFFAOYSA-N 443.525 4.350 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 544675674 RHKBMJAXBDEJLL-CYBMUJFWSA-N 429.383 4.335 5 20 IIBD C[C@H]1CCc2c(sc3nc(CCc4nc(-c5ccc([N+](=O)[O-])cc5)no4)nc(O)c23)C1 545552359 YJROUWQBRMIZPI-NSHDSACASA-N 437.481 4.265 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(CCCc4nc(-c5ccc(F)cc5)no4)n3)c2c1 546560547 MRIPJVNNERIEAD-UHFFFAOYSA-N 448.414 4.414 5 20 IIBD Cn1cnnc1Sc1ccc(-c2nc(COc3ccc(Cl)cc3)no2)cc1[N+](=O)[O-] 547110787 VUCBURVKGVCREL-UHFFFAOYSA-N 444.860 4.157 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)c1 549267797 MXJUQHLJPWFVBF-BJKOFHAPSA-N 445.519 4.392 5 20 IIBD O=C(Nc1cc(F)c(F)cc1N1CCOCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 553626534 MIHQAGCEQIOWQF-UHFFFAOYSA-N 435.430 4.048 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 553693857 FWVDXFVOYJADPV-DYESRHJHSA-N 448.926 4.264 5 20 IIBD CC(C)(NC(=O)c1cccc(F)c1I)c1ccccc1[N+](=O)[O-] 554073696 SPEJYGNVPAGWQQ-UHFFFAOYSA-N 428.201 4.004 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(Cl)cc(F)c2Br)c(C)c([N+](=O)[O-])c1 556438418 TXYWWGYKZCXEEW-UHFFFAOYSA-N 445.628 4.497 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1C(=O)N1CCCC1 557057775 MJPWXQBJIFIROH-UHFFFAOYSA-N 432.274 4.154 5 20 IIBD O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1 559008170 DHEFTIJVYQEFNO-UHFFFAOYSA-N 439.475 4.167 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN3CCc4cc(Br)cc(F)c4C3)o2)cc1 570185089 BFXNTFJJEVJKIV-UHFFFAOYSA-N 433.237 4.105 5 20 IIBD CCCCN(C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)[C@@H]1CCC[C@H](C)C1 570878894 JOXQUGXSWMOXNM-FUHWJXTLSA-N 426.517 4.270 5 20 IIBD CC(=O)c1cc(N2CCN([C@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)ccc1[N+](=O)[O-] 580705549 AMPRKPJJTVWKCG-MRXNPFEDSA-N 435.484 4.039 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1Nc1ccc2c(c1)N(C(=O)Cc1cccc(OC)c1)CC2 582626964 LGQNKDRDKIFGIK-UHFFFAOYSA-N 435.484 4.004 5 20 IIBD COc1cc(CN[C@@H]2CC[C@](O)(C(F)(F)F)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 589938969 IAJWXGDTDXPPLP-OXQOHEQNSA-N 440.418 4.118 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc([N+](=O)[O-])c1 590654690 BPQVQYMFNSDCCW-UHFFFAOYSA-N 440.481 4.234 5 20 IIBD CCOC(=O)c1c(C2CC2)csc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 603454479 FZBRPVXZYDXXSD-UHFFFAOYSA-N 426.454 4.148 5 20 IIBD CCS(=O)(=O)c1ccccc1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 603571920 DOUHGKUFNHWYJS-UHFFFAOYSA-N 448.444 4.138 5 20 IIBD CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCc1cc(-c2ccccc2)on1 603725817 KKGFPKIKQMIFKP-UHFFFAOYSA-N 434.408 4.191 5 20 IIBD Cc1nnc(CNC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 604249006 ULCKTMHLUUSAMZ-UHFFFAOYSA-N 438.387 4.386 5 20 IIBD C[C@@H](c1c(F)cccc1F)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br 604435410 OQVUEMUAEFBZPQ-JTQLQIEISA-N 428.233 4.267 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@H]2CCSc3c(F)cccc32)ccc1[N+](=O)[O-] 608803099 GWXRSPIKXVZQPE-PKOBYXMFSA-N 443.500 4.000 5 20 IIBD COc1ccc(COCc2cccc(NC(=O)CCn3nc(C)c([N+](=O)[O-])c3C)c2)cc1 608806370 CPKPFNVQMXZBGL-UHFFFAOYSA-N 438.484 4.162 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)cc1[N+](=O)[O-] 609177702 XKZNIRQLKFEFMK-LJQANCHMSA-N 441.488 4.285 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCc2ccccc2[C@H]1c1ccccc1 609405188 PCRVDEGZXLXRRR-OAQYLSRUSA-N 435.867 4.361 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 609405577 ZEKOGPIVCIRWRQ-LJQANCHMSA-N 426.860 4.422 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(Cc1ccco1)c1ccc(Cl)cc1 609492477 FFDJWMUHKQSEIY-CQSZACIVSA-N 427.844 4.193 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC(C(F)(F)F)(C(F)(F)F)C1 610046191 JMHRJAGKGAXSGM-UHFFFAOYSA-N 435.118 4.314 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@@H]3[C@H]4CCCO[C@H]4C3(C)C)cc2[N+](=O)[O-])n1 610192606 KSIXITBWUXYAFX-KBRIMQKVSA-N 433.555 4.444 5 20 IIBD CC(C)(C)OC(=O)Cc1cccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 610309881 VUOWJXOTDLFRRA-UHFFFAOYSA-N 425.485 4.332 5 20 IIBD CC(C)CCSc1ccc(C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)cc1[N+](=O)[O-] 610772261 KDHQVSWQBPGGHI-GOSISDBHSA-N 433.574 4.254 5 20 IIBD C[C@@H](NC(=O)NCc1ccc(CCNC(=O)OC(C)(C)C)cc1)c1cccc([N+](=O)[O-])c1 725874481 INJUSUUBHPXTDI-MRXNPFEDSA-N 442.516 4.222 5 20 IIBD C[C@H](Oc1ccccc1C(F)(F)F)C(=O)O[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 727204700 IFFIGIFFHTWCNW-MNOVXSKESA-N 444.337 4.090 5 20 IIBD O=C(Cc1cc2ccccc2o1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727329790 GRKLULRIEOYIQV-UHFFFAOYSA-N 433.386 4.251 5 20 IIBD CNC(=O)c1ccc(N[C@@H](Cc2ccc(OC)c(OC)c2)c2ccccc2)c([N+](=O)[O-])c1 727433294 NZHBAJQYITVMOI-FQEVSTJZSA-N 435.480 4.368 5 20 IIBD O=C(OCc1nnc(-c2cccc(Cl)c2)o1)c1cc([N+](=O)[O-])ccc1N1CCCC1 730291039 GMEATQYQBHWJSX-UHFFFAOYSA-N 428.832 4.255 5 20 IIBD Cc1ccc(C2=CCN(S(=O)(=O)c3cc(Br)cc([N+](=O)[O-])c3)CC2)cc1 731215186 OXUXSTMNCCQEAY-UHFFFAOYSA-N 437.315 4.144 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2cc(Br)ccc2-n2cccn2)cc1[N+](=O)[O-] 731330538 ARWSVCNRFVVGNC-UHFFFAOYSA-N 446.217 4.012 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 731633182 YSPGVYMQBXMOAS-LBPRGKRZSA-N 443.456 4.235 5 20 IIBD Cc1c(C(=O)OCc2ncc(-c3ccc(Cl)cc3)o2)nnn1-c1cccc([N+](=O)[O-])c1 733513686 MMGAIMJSYNLGPP-UHFFFAOYSA-N 439.815 4.149 5 20 IIBD CCn1cc(CN(C)[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)cn1 733796792 VQGWJNGYTRGUHB-HXUWFJFHSA-N 427.892 4.276 5 20 IIBD C[C@]1(c2ccc(OC(F)(F)F)cc2)NC(=O)N(Cc2cc([N+](=O)[O-])ccc2Cl)C1=O 735415713 PHWPCZGBUBZEPZ-QGZVFWFLSA-N 443.765 4.114 5 20 IIBD CC[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1I)C(=O)c1ccccc1 738609863 IXXHTONOISKKMT-OAHLLOKOSA-N 439.205 4.018 5 20 IIBD CCCCCSc1nc2ccc(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)cc2s1 741595506 ZZNHWLFFQMSTMY-UHFFFAOYSA-N 432.527 4.287 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)cc1[N+](=O)[O-] 742027353 BSKBLYSEABNETD-UHFFFAOYSA-N 449.504 4.248 5 20 IIBD O=C(Nc1ccc(CN2CCCCCC2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 744077026 KLNCNDGIUNGPNS-UHFFFAOYSA-N 438.528 4.060 5 20 IIBD CN(CC(=O)O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1ccccc1[N+](=O)[O-] 745618102 NHQDVWJCQJSHJE-QFIPXVFZSA-N 437.427 4.093 5 20 IIBD Cc1c(C(=O)N(C)Cc2cc(Br)cs2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748619381 CPRGFVOUFHLXIK-UHFFFAOYSA-N 428.264 4.216 5 20 IIBD Cc1c(C(=O)OCc2coc(-c3c(F)cccc3F)n2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 751697915 HBIIEWSCRAQAON-UHFFFAOYSA-N 433.323 4.410 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)Cc1csc2ccc(Cl)cc12 751846074 IXBGCKUVOCDUPX-UHFFFAOYSA-N 434.857 4.196 5 20 IIBD CC(C)(C)N(Cc1cccc(F)c1)C(=O)COC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 758737149 LPNDAPHAIYMTLR-UHFFFAOYSA-N 441.459 4.128 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCOc1cccc(Br)c1 758852058 MGTVFXDDMJXXTN-UHFFFAOYSA-N 427.682 4.438 5 20 IIBD COc1ccc([C@H](OC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H](C)n2cccn2)cc1 759314512 WVQQYIGMGAKRIR-NPMXOYFQSA-N 434.452 4.369 5 20 IIBD O=C(Nc1cccc(-c2noc(-c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)n2)c1)c1ccco1 761536204 VVJKNAUJBCJOHY-UHFFFAOYSA-N 442.391 4.343 5 20 IIBD Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 763856624 RXFPISUJEZAGDO-MRXNPFEDSA-N 436.468 4.396 5 20 IIBD CN1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1c1ccc(Cl)c(F)c1 764323000 MWQOGFVOBQJHLL-ACJLOTCBSA-N 426.275 4.464 5 20 IIBD O=Cc1ccc(OCc2occc2C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 765834686 ANCMSUUNVICTGI-QFIPXVFZSA-N 438.461 4.467 5 20 IIBD Cc1c(-c2cc(COC(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)on2)cnn1C 767502875 NDOWJZKYOHADAO-UHFFFAOYSA-N 434.408 4.441 5 20 IIBD O=[N+]([O-])c1cc(CN2CCC(c3nc(-c4ccccn4)no3)CC2)ccc1Br 769209759 FUWSLCLARRUTAQ-UHFFFAOYSA-N 444.289 4.182 5 20 IIBD Cc1ccc(C)c(-n2ncc(C(=O)OCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c2C)c1 772386436 JCLBGUODCZHNGG-UHFFFAOYSA-N 433.424 4.113 5 20 IIBD Cc1n[nH]c(C)c1CCOC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 772706911 QIDYRHXRHUBUNU-UHFFFAOYSA-N 445.479 4.116 5 20 IIBD CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 772920250 WLLKQNJCQXIQMW-KRWDZBQOSA-N 447.713 4.062 5 20 IIBD COc1ccc(/C=C\C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cc1OC 775496129 STCXCLYLARLPAG-LUAWRHEFSA-N 425.466 4.412 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)[C@@H](C)c2c(C)n[nH]c2C)c2ccccc2)c([N+](=O)[O-])c1 776292004 ZOXFJYCQTWQIKZ-LHSJRXKWSA-N 436.468 4.270 5 20 IIBD O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)c1cc([N+](=O)[O-])c2nsnc2c1 778284453 WEZMSMKVLMVUCJ-PMERELPUSA-N 438.490 4.160 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)[C@@H](c2ccccc2)N(C)C)c2ccccc2)c([N+](=O)[O-])c1 780092377 NAAIOPVKOWRNQS-PKTZIBPZSA-N 447.491 4.429 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)c1ccc(NC(C)=O)cc1 780282703 JXHUVWYINNNZFP-CYBMUJFWSA-N 430.482 4.484 5 20 IIBD O=C(OCc1nc(-c2ccsc2)no1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781258208 RJMBWPVGCDVCDM-UHFFFAOYSA-N 439.399 4.428 5 20 IIBD CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cccc([N+](=O)[O-])c1Br 782171975 FXVOZFIAXOTGIE-QGZVFWFLSA-N 446.345 4.342 5 20 IIBD COC(=O)[C@@](C)(COC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 783140470 GIQJFWJAOANMHU-NRFANRHFSA-N 426.450 4.006 5 20 IIBD Cc1c(C(=O)O[C@H](C)c2nnc(-c3ccc(F)cc3)o2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 783321316 GDXJCTGVJIAJHF-LLVKDONJSA-N 430.348 4.227 5 20 IIBD Cc1c(C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 783563774 NLLJWVQWWRNFBX-UHFFFAOYSA-N 435.318 4.268 5 20 IIBD CC1(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN(C(=O)OC(C)(C)C)CC1 784423212 YMIQFBNOHXGHCM-UHFFFAOYSA-N 445.438 4.381 5 20 IIBD CCOc1cc(CNc2cccc(Cl)n2)ccc1OCCn1c([N+](=O)[O-])cnc1C 785722323 NUTGPYHQSKBLLR-UHFFFAOYSA-N 431.880 4.238 5 20 IIBD O=C(CSc1nc2cc(Br)cnc2[nH]1)Nc1cc([N+](=O)[O-])ccc1Cl 786610810 GXUZCGRGTCLTAG-UHFFFAOYSA-N 442.682 4.013 5 20 IIBD O=C(O[C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1)c1ccc2nc(C(F)F)[nH]c2c1 787030144 ITLVFYHGUALFAM-ZDUSSCGKSA-N 434.374 4.374 5 20 IIBD COc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=N)NOCc2c(F)cccc2[N+](=O)[O-])cc1 789633571 SBELCFBCSNHCSR-GOSISDBHSA-N 448.451 4.007 5 20 IIBD COc1ccc([C@H](C)NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cc1 790694986 FJMZTHJXJHEEHW-LBPRGKRZSA-N 434.290 4.195 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@H]3CCC(=O)c4ccccc43)CC2)ccc1[N+](=O)[O-] 793162502 ZBOZTJSZZBFCQK-FQEVSTJZSA-N 438.480 4.266 5 20 IIBD COc1cc(OC)cc(-c2cccc(NC(=O)c3cc([N+](=O)[O-])c(N(C)C)cc3F)n2)c1 794934161 KSAJRMCDDBNNRP-UHFFFAOYSA-N 440.431 4.131 5 20 IIBD COCC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2 795310811 DKJVMSANTOATGR-GHRIWEEISA-N 446.459 4.392 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)OCc1csc(-c2ccc(OC)c(OC)c2)n1 795711075 AVDZIRDGTXKUAJ-UHFFFAOYSA-N 444.465 4.491 5 20 IIBD Cc1nc(SC(F)F)sc1CC(=O)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 796862774 NCCIOIPQGZCLMD-ZDUSSCGKSA-N 429.470 4.039 5 20 IIBD CC(C)(C)OC(=O)NC1(COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCC1 797291485 DNYMMCOESXTNCL-UHFFFAOYSA-N 436.508 4.145 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)CCCC1CCOCC1)c1cccc([N+](=O)[O-])c1 798900295 SZSGFFLAMFFAIA-HXUWFJFHSA-N 432.517 4.120 5 20 IIBD O=C(NCC[S@@](=O)Cc1ccccc1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 799339636 SAVKVEVAPKILDT-SSEXGKCCSA-N 440.546 4.425 5 20 IIBD O=C(OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1ncccc1Oc1ccccc1 799609522 JDZAKVVTBKZCFM-KRWDZBQOSA-N 447.447 4.244 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(NS(=O)(=O)c2ccc(Br)c(Cl)c2)c1 800930928 UESAIOYXGJMGEN-UHFFFAOYSA-N 426.075 4.465 5 20 IIBD O=C(NC[C@@H](CO)c1ccc(Cl)cc1)c1cc(Br)cc([N+](=O)[O-])c1Cl 807852071 INLSOEYWZWVRJG-JTQLQIEISA-N 448.100 4.170 5 20 IIBD C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)[C@H](c2ccccc2)CO1 809822930 WMYFODWUKWZGIV-BZNIZROVSA-N 431.297 4.052 5 20 IIBD O=[N+]([O-])c1cccc(/C(O)=C(/C(=S)NC2CC2)[n+]2cc(O)cc(-c3ccccc3)c2)c1 811722391 IBILWYVHWPHQDB-UHFFFAOYSA-O 434.497 4.218 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCC[C@@](CO)(Cc2ccccc2)C1 812485441 SJGXWYYYQAHCHQ-LJQANCHMSA-N 439.390 4.343 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC1(Cc2ccccc2Br)CC1 817042380 CTYGMOWYXHVWND-UHFFFAOYSA-N 448.273 4.090 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 817655695 DXOAWFORWBBMQB-ROUUACIJSA-N 431.533 4.403 5 20 IIBD O=[N+]([O-])c1cc(NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)ccc1Cl 821124329 SJAGRNSJHHANKK-UHFFFAOYSA-N 426.621 4.264 5 20 IIBD O=C(CCCCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Nc1cc([N+](=O)[O-])ccc1F 864935466 MTECSGRNWLAKTA-UHFFFAOYSA-N 436.371 4.309 5 20 IIBD COCCn1c(-c2ccc(C)c([N+](=O)[O-])c2)csc1=Nc1cccc(NC(C)=O)c1 913118192 NRPHJEYNBIIIRV-UHFFFAOYSA-N 426.498 4.270 5 20 IIBD Cc1ccc(-n2ncc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2C(C)C)cc1 914712756 UWDJDCZKHXBLFO-UHFFFAOYSA-N 433.512 4.175 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N[C@@H]2CCCC[C@H]2C)cc1 915250421 SMURHBCYPVTNKW-FOIQADDNSA-N 442.468 4.247 5 20 IIBD O=C(Nc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1)c1ccccc1 917846940 JCVPVTMEVNFLGE-UHFFFAOYSA-N 432.841 4.268 5 20 IIBD Cc1ccc(N(Cc2cccs2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 918165126 AJBGDYRBGAOYOS-UHFFFAOYSA-N 433.467 4.268 5 20 IIBD COc1cc([C@H](C)NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])ccc1OCCC(C)C 918193445 GDXLOYPMBUUORD-AWEZNQCLSA-N 440.493 4.207 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)c1cncc2ccccc12)c1cccc([N+](=O)[O-])c1 918635120 ULPPOWXYLUGWDB-LJQANCHMSA-N 433.464 4.385 5 20 IIBD CC(C)n1ncc2cc(C(=O)OCCOc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)cnc21 920145153 GZVDDSGICAXHOD-UHFFFAOYSA-N 438.362 4.175 5 20 IIBD COCCn1cc(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccccc21 920670842 ULELYXAQHDPSEV-AWEZNQCLSA-N 436.424 4.164 5 20 IIBD C[C@@H](OC(=O)COc1ccccc1C(C)(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 921180632 QEQYGEODEMFPKA-CYBMUJFWSA-N 434.876 4.495 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1c(F)cccc1Cl 1116405104 URVQODKFXSOUMB-UHFFFAOYSA-N 440.880 4.015 5 20 IIBD Cc1c(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cnn1-c1ccc(Br)cc1 1252264207 RXCJLVHCWSALPF-UHFFFAOYSA-N 427.258 4.007 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CN2CCn3c(nnc3C(F)(F)F)C2)o1 1254018958 PJBMASZMIVGNGG-UHFFFAOYSA-N 427.770 4.134 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)c2nc(-c3ccccc3)oc2C(C)C)cc([N+](=O)[O-])c1C 1319968811 QZOTVUCIPDBSQH-UHFFFAOYSA-N 443.481 4.109 5 20 IIBD COc1cccc2cc(CNC(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])oc12 1338450807 UGKBHVJXSFZJJI-UHFFFAOYSA-N 437.374 4.487 5 20 IIBD O=C(c1nn(-c2ccccc2F)cc1Br)N1CCCc2c1cccc2[N+](=O)[O-] 1341097293 KKBPYFYLZDOHRH-UHFFFAOYSA-N 445.248 4.275 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)NC1(c2ccc(NC(=O)c3nccs3)cc2)CCC1 1787512496 IEGQSFBBGYGMFG-SOFGYWHQSA-N 438.465 4.105 5 20 IIBD O=C(Cc1ccccc1F)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1 1787745893 NOYPVMZAYCQHIO-UHFFFAOYSA-N 437.427 4.317 5 20 IIBD CCc1cnc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])o4)CCC3)cc2)s1 1789653309 VTIAJOHWDBEMPF-UHFFFAOYSA-N 440.481 4.268 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@H]3C[C@H]3c3ccccc3)CCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 1790187102 ZHXLQAKWBUBBSZ-PMACEKPBSA-N 444.491 4.474 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)Nc1ccc(C2(NC(=O)[C@]3(C)C[C@H]3C)CCC2)cc1 1790809032 AYXGTQMLWCIFQA-IQMFZBJNSA-N 437.496 4.403 5 20 IIBD O=C(Cc1cc(F)ccc1[N+](=O)[O-])Nc1ccc(C2(NC(=O)c3cccnc3)CCC2)cc1 1792308222 ASZGEOSPKVLXPQ-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD Cc1cc(CCCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2(C)CCC2)c([N+](=O)[O-])cc1F 1792507770 VPRUHJWPWBYVRH-REPLKXPHSA-N 445.535 4.193 5 20 IIBD O=C(/C=C/C1CCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(Cl)cc1[N+](=O)[O-] 1793080226 OTPKCENIJFKKEK-RKXKKUEXSA-N 445.947 4.175 5 20 IIBD Cc1c(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C2(C)CC2)CC3)cc(Cl)cc1[N+](=O)[O-] 1823703898 UMAWMIGCGGIAGY-LBPRGKRZSA-N 448.932 4.039 5 20 IIBD Cc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)C(C)C)CC2)cc(Cl)cc1[N+](=O)[O-] 1826305653 OSTJYKNLHHDVFK-LJQANCHMSA-N 435.952 4.446 5 20 IIBD CC(C)[C@H](C(=O)N1CC2(CCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)C1)c1ccccc1 1841807180 FPUUBEWRVHXCKC-DEOSSOPVSA-N 449.551 4.171 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CC2(CCCN2C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)C1 1843934954 WKUYBOMPYDDIEX-NMAUIJKUSA-N 441.528 4.011 5 20 IIBD COc1cc(C(=O)OCC(=O)c2ccc3ccccc3c2)c([N+](=O)[O-])cc1OC(F)F 10209201 FQKZIXPYCGMQCS-UHFFFAOYSA-N 431.347 4.398 5 20 IIBD CCOc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)o1 21545504 ODFVSZKHAMQRNL-LBPRGKRZSA-N 444.469 4.171 5 20 IIBD CC(C)Cn1c(SCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1F 24765893 ZLTMCXDRWJXVMU-UHFFFAOYSA-N 443.504 4.404 5 20 IIBD C[C@H](OC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(=O)NCCc1c[nH]c2ccccc12 26342770 DBRDIVFORUSYCY-HNNXBMFYSA-N 437.496 4.278 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)CSc2ccc3ccccc3c2)c([N+](=O)[O-])c1 28301803 FWRALTBPIQKCCI-UHFFFAOYSA-N 440.477 4.421 5 20 IIBD O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 32665920 MZRYFXPCWXEXOG-NRFANRHFSA-N 439.903 4.001 5 20 IIBD CCC(CC)c1nnc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)s1 39516827 GBKZYLLDZUUAMI-UHFFFAOYSA-N 428.518 4.464 5 20 IIBD CCOc1ccc(-c2nc(NC(=O)c3cc(C(=O)OC)cc([N+](=O)[O-])c3)sc2C)cc1 60390639 XWIYEUPABYUULZ-UHFFFAOYSA-N 441.465 4.464 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 71933509 STJLEOIZZKJRKA-KRWDZBQOSA-N 436.390 4.099 5 20 IIBD COc1ccc(-c2ccc(CNCc3ccc(OCC(F)(F)F)nc3)o2)c([N+](=O)[O-])c1 237433586 QJABFKIFRUQHRJ-UHFFFAOYSA-N 437.374 4.489 5 20 IIBD CCc1cccc2c(C3CCN(c4ccc(S(C)(=O)=O)cc4[N+](=O)[O-])CC3)c[nH]c12 301127561 XCUXPCCJUXFAQP-UHFFFAOYSA-N 427.526 4.426 5 20 IIBD Cc1ccc(NC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)cc1[N+](=O)[O-] 409680223 VNYVGUPEMWRRKS-UHFFFAOYSA-N 432.864 4.145 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1nc(-c2ccnc(OC(F)F)c2)no1 410166293 BVKTTYMLADKBHD-UHFFFAOYSA-N 445.304 4.315 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(N2CCc3ccccc32)CC1 410269881 FJWVPIDRBDOSFK-UHFFFAOYSA-N 441.553 4.001 5 20 IIBD CN(CCCC(=O)O)C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 427758756 KCJLBYKYBJWQBK-DTQAZKPQSA-N 439.493 4.458 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1 427812389 NDHHNZGVSWTASO-UHFFFAOYSA-N 427.457 4.149 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 431173576 SUPJONFNWXJNBQ-UHFFFAOYSA-N 428.514 4.314 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3c(F)cc(Cl)cc3F)CC2)ccc1[N+](=O)[O-] 432373882 NMTBXXGROFHSCG-UHFFFAOYSA-N 440.834 4.279 5 20 IIBD CNC(=O)c1ccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1Cl 436073514 IUBJWNMQVSRPPV-UHFFFAOYSA-N 441.821 4.225 5 20 IIBD CN(C[C@@H]1OCCc2ccccc21)C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436367799 LLLYDRBCIZPKNU-NRFANRHFSA-N 434.442 4.346 5 20 IIBD CC(C)CCOc1ccc(NC(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 437057890 MWFWMHMZGJSTEK-UHFFFAOYSA-N 425.485 4.149 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1cccc(OC)c1)C1CCC(O)CC1 439884326 XIWPNJMQSZHJME-UHFFFAOYSA-N 443.500 4.340 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC1(c2noc([C@H]3CCOC3)n2)CCCCCC1 439931518 ZMYHTNHUSBVZHZ-HNNXBMFYSA-N 448.907 4.044 5 20 IIBD CCOc1ccc([C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C(C)C)cc1OCC 443711187 RKDZBIYGKWBGII-NRFANRHFSA-N 436.530 4.209 5 20 IIBD CO[C@@H](C)c1nc(CN2CCCN(C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CC2)cs1 443946891 MRYDWYUFSIQFHO-INIZCTEOSA-N 447.561 4.115 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H](CO)Cc3cc(F)c(F)c(F)c3)cs2)c1 443988093 KQLCCZGDPJOQSY-ZDUSSCGKSA-N 437.443 4.076 5 20 IIBD C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444318593 QCQWGPOASQFBQR-WNSKOXEYSA-N 447.485 4.210 5 20 IIBD CCOC(=O)c1cc(C(=O)N2C[C@@H](c3cccc(Cl)c3)OC[C@H]2C)cc([N+](=O)[O-])c1 444399989 LYGPPBGDSYCCFS-YJYMSZOUSA-N 432.860 4.027 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCCC[C@@H](S(C)(=O)=O)C3)cc2[N+](=O)[O-])cc1 444639101 KWJGAKKEGUPTLI-GOSISDBHSA-N 448.566 4.094 5 20 IIBD O=[N+]([O-])c1ccc2nc(O)cc(-c3nc(-c4ccc(Br)cc4F)no3)c2c1 445444040 DRQWTFGLPUNNJD-UHFFFAOYSA-N 431.177 4.467 5 20 IIBD CSc1cc2c(cc1NC(=O)c1sc(Br)cc1[N+](=O)[O-])OCCO2 446086786 SKXFNNXNLKNXQD-UHFFFAOYSA-N 431.289 4.164 5 20 IIBD CCOC(=O)[C@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c2ccccc21 446245719 GHCYZJLNKWMTIY-KRWDZBQOSA-N 437.477 4.416 5 20 IIBD CCC(C)(C)c1ccc(NC(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)cc1 448403697 HZMGBEVWKSGKEN-UHFFFAOYSA-N 427.457 4.021 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(Cn3cncn3)no2)ccc1Sc1nc2ccccc2s1 460748603 RQXCMGHOQNZIQO-UHFFFAOYSA-N 437.466 4.046 5 20 IIBD O=C(c1ccc(-c2cc(F)c(F)c(F)c2)cc1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 461084402 IXBROKMUCGSVOK-INIZCTEOSA-N 442.397 4.401 5 20 IIBD COc1cc(C(=O)N2CC[C@@H](n3cccn3)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 462392648 WHBMBSGCOKMWBY-MRXNPFEDSA-N 442.859 4.333 5 20 IIBD COc1cc(CN2CCN([C@@H](C)c3ccsc3)CC2)c([N+](=O)[O-])cc1OCC(F)F 462463776 HOQSAZOLSNQSRZ-AWEZNQCLSA-N 441.500 4.188 5 20 IIBD COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(-c3ccccc3OC)cc2)c([N+](=O)[O-])c1 462495405 OWBHCNCPYFRHCZ-HNNXBMFYSA-N 442.493 4.319 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Nc2cc(Br)c(C)cc2OC)c([N+](=O)[O-])c1 462529037 PGXSQAQQHHPRST-LLVKDONJSA-N 438.278 4.122 5 20 IIBD CNS(=O)(=O)c1ccc(NCc2ccc(Oc3ccccc3F)c(F)c2)c([N+](=O)[O-])c1 462906980 RBJZYHIGIMXYPT-UHFFFAOYSA-N 449.435 4.186 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1NC(=O)C(C)(C)C 463531135 GLRCOLVPBRXJSC-UHFFFAOYSA-N 442.497 4.237 5 20 IIBD CC(C)(C)c1nc2ccc(NC(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)cc2s1 464176584 WENMRUCPQUNIPV-UHFFFAOYSA-N 433.511 4.158 5 20 IIBD CC(C)CO[C@H](C)c1noc(CN(C)C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 465200889 YIBQSWIDWOQDPH-LLVKDONJSA-N 430.383 4.002 5 20 IIBD CC[C@H](C)c1ccc([C@@H](NC(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)C(C)C)cc1 468172959 DTIDUCDJPIWVTH-QKKBWIMNSA-N 447.557 4.191 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nc(Sc2ccc(OC)cc2)ns1 470969047 UEJZVQJRZDDUQR-UHFFFAOYSA-N 432.483 4.257 5 20 IIBD C[C@H](CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)N(C)Cc1ccccc1 471437191 PQCIKGNQVTXBJW-HXUWFJFHSA-N 427.548 4.182 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](OC(C)C)c2ccccc2OC)cc1SC 471551202 LBVHSQUQHBPAKG-LJQANCHMSA-N 434.514 4.230 5 20 IIBD COc1cc(C(=O)N[C@H](C)CSc2ccc(C)cc2)c([N+](=O)[O-])cc1OC(F)F 472254331 AHDVLGFZDAZBIZ-GFCCVEGCSA-N 426.441 4.424 5 20 IIBD CCc1ccc(-c2noc([C@@H](C)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1 472366600 FGJNICLENVJTED-OAHLLOKOSA-N 435.484 4.298 5 20 IIBD CC(C)(C)N(Cc1ccc(F)cc1)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 484346030 YYESJOYXIONUMW-UHFFFAOYSA-N 429.448 4.249 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Sc1nnc(N2CCOCC2)n1-c1ccccc1 484673694 ZUBLCNALRSKDBN-MRXNPFEDSA-N 425.514 4.174 5 20 IIBD O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1)c1ccc([N+](=O)[O-])[nH]1 484719429 FTKRXTZYUAKPIV-KRWDZBQOSA-N 430.917 4.167 5 20 IIBD CSc1cccc(C(=O)Nc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)c1[N+](=O)[O-] 485744555 VYJNZOILEGIUIG-UHFFFAOYSA-N 449.535 4.096 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(Cn2cccn2)cc1 486622190 AMZPYRJXLYHBPR-UHFFFAOYSA-N 433.390 4.299 5 20 IIBD CS(=O)(=O)c1ccc(NCc2cccc(NC(=O)Nc3ccccc3)c2)c([N+](=O)[O-])c1 488015765 TXFKHQTVMRBRTG-UHFFFAOYSA-N 440.481 4.254 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(OCCN(C)C)cc3)cc2[N+](=O)[O-])C1 488142611 MYZWNXHENOMTKL-QZTJIDSGSA-N 440.544 4.270 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C 488464662 KGSSCTPETKKDOC-TXPKVOOTSA-N 431.920 4.042 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc([N+](=O)[O-])c1 491196871 CKHSKOSAAFDPLA-CQSZACIVSA-N 443.525 4.127 5 20 IIBD COc1cccc([C@@H](C)N2CCN(C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)c1 493280283 LMYCWIAOVRQBMU-QZTJIDSGSA-N 426.517 4.061 5 20 IIBD COc1ccccc1[C@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N(C)C 493711817 UNQVJCUSWIFXGK-QHCPKHFHSA-N 449.507 4.215 5 20 IIBD COCCCN(C)[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 494818917 FOTXIGVDOCUFNA-HXUWFJFHSA-N 440.525 4.366 5 20 IIBD O=C(Nc1ccnc(OCC(F)(F)C(F)F)c1)c1cc([N+](=O)[O-])ccc1OC(F)F 498378638 QSRLGAOGSYNQTB-UHFFFAOYSA-N 439.268 4.123 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NC[C@H](CO)CC2CCCC2)cc1[N+](=O)[O-])c1ccccn1 500503737 PIYDPJOKHWCTSF-SJLPKXTDSA-N 426.517 4.082 5 20 IIBD Cc1ccc(-n2nc(C(C)C)cc2NC(=O)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 504107691 CGBYFWGWRHEDKK-INIZCTEOSA-N 435.484 4.028 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 509836033 DXJWQFYGPZBSMK-UHFFFAOYSA-N 433.839 4.287 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCO[C@H](c2ccc(Br)cc2)C1 516757415 KPQBWVZZRRDRRS-SFHVURJKSA-N 431.242 4.317 5 20 IIBD Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 518933094 XOQHJGHFVNTCBV-UHFFFAOYSA-N 433.468 4.014 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 521560451 BOURSQVEZFBTSU-LJQANCHMSA-N 431.876 4.243 5 20 IIBD COCc1nc(CN[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cs1 522045704 CXQHFEFPSQRMOY-IBGZPJMESA-N 446.916 4.321 5 20 IIBD O=C(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)Nc1ccc(OCc2ccccc2)cc1 524029567 XLTHSLSEIRRNCH-UHFFFAOYSA-N 429.436 4.071 5 20 IIBD O=C(N[C@H]1CCCN(c2ccccc2Cl)C1=O)c1cc2cc([N+](=O)[O-])ccc2s1 525038552 HYWFHWPVRPAQCI-HNNXBMFYSA-N 429.885 4.388 5 20 IIBD COc1cc(-c2noc(Cn3c4ccccc4c(=O)c4ccccc43)n2)cc(OC)c1OC 531750779 WAQWYTWALCBDDD-UHFFFAOYSA-N 443.459 4.279 5 20 IIBD CC[C@@H](C)n1ncc(NC(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])c1C1CC1 535697417 AZHLMUJXLCGRIJ-CYBMUJFWSA-N 431.493 4.021 5 20 IIBD O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 536102495 HTUZLJQRYQVHFN-UHFFFAOYSA-N 449.854 4.333 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C(F)(F)F 536465953 BTRJDQAQGBTTTA-UHFFFAOYSA-N 442.415 4.199 5 20 IIBD Cc1ccc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cc1NC(=O)CN1CCCCC1 536474915 BCSMDITWYZFZRS-UHFFFAOYSA-N 435.484 4.061 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1nccn1CCc1ccccc1 542406639 YUDXGQPKUCXJSD-UHFFFAOYSA-N 430.917 4.096 5 20 IIBD COC(=O)C[C@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)c(F)c1 542527131 QKMGQQGZWQTGIX-BTDLBPIBSA-N 426.803 4.051 5 20 IIBD Cc1ccccc1CNc1ccccc1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 543941834 XERMISUTGGKUFZ-UHFFFAOYSA-N 428.452 4.348 5 20 IIBD O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC=C(c2cccc(Br)c2)CC1 546525114 YUKSRBLRZFUIHB-UHFFFAOYSA-N 431.242 4.016 5 20 IIBD COc1ccc2c(c1)OC[C@H]2Cc1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 547171063 KKWPPFLPJYUKPQ-GFCCVEGCSA-N 446.257 4.058 5 20 IIBD CC(C)c1ccccc1NC(=O)[C@H](C)Sc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C 547230015 QHJUEOKECDCNET-ZDUSSCGKSA-N 426.498 4.084 5 20 IIBD COC(=O)COc1ccc(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c2ccccc12 549196237 COHMKRJUFBENCJ-UHFFFAOYSA-N 437.452 4.006 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(Cl)c(F)c1N1CCOCC1 549374612 NSQSCVLMHSDOAN-UHFFFAOYSA-N 443.262 4.199 5 20 IIBD Cc1ccccc1-n1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c2c1CCC2 552119328 WXBRITFQYFTIJK-UHFFFAOYSA-N 428.395 4.431 5 20 IIBD COc1ccc2c(c1)N(S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)CCCC2 557447869 FDTXNGFUGZNIQO-UHFFFAOYSA-N 430.404 4.154 5 20 IIBD O=C(Nc1ccnn1Cc1cccc2ccccc12)N1CCOc2ccc([N+](=O)[O-])cc2C1 567403818 RAMGZGSNDUMZEQ-UHFFFAOYSA-N 443.463 4.419 5 20 IIBD O=C(O)c1csc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 572223477 PHEBDBHZLYRTTF-UHFFFAOYSA-N 443.403 4.228 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2c2nc(-c3cccc4cnccc34)no2)ccc1[N+](=O)[O-] 577144504 HUXOEIHFMLMQJG-FQEVSTJZSA-N 429.436 4.479 5 20 IIBD CC(C)(C)[C@H](Cc1ccccc1C(F)(F)F)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 579180496 RXTOZNNGXZFWEO-KRWDZBQOSA-N 437.418 4.326 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(CNc2ccc(Br)cc2[N+](=O)[O-])s1 590813265 LBPGOCDHTACAJD-UHFFFAOYSA-N 448.364 4.061 5 20 IIBD O=C(Nc1nc(-c2cccc(-n3cnnn3)c2)cs1)c1cc2cc([N+](=O)[O-])ccc2s1 603569947 JREMYCUJEJLZDR-UHFFFAOYSA-N 449.477 4.161 5 20 IIBD C[C@H]1CCCN(c2nnc(SCCc3ccc([N+](=O)[O-])cc3)n2Cc2ccco2)C1 603724089 GKWHSWCPCMHRHA-INIZCTEOSA-N 427.530 4.399 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(CNC(=O)c2cccs2)cc1 603742776 JSTCEGIJPRUUMN-UHFFFAOYSA-N 447.419 4.440 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)cc([N+](=O)[O-])c1 604103620 WAEHJVHUIQDNJE-UHFFFAOYSA-N 427.844 4.105 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CCCN(C(=O)Nc3ccc(Cl)cc3)CC2)c1 608812798 JXFDOQWAOQINAV-UHFFFAOYSA-N 448.932 4.350 5 20 IIBD C[C@H](C[C@@H]1CCCO1)NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 608819957 MKSRWCQNOPAFGL-VGSWGCGISA-N 434.496 4.064 5 20 IIBD CC[C@@H](C)[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 609174228 JAHHRHPLLYXIMF-AUUYWEPGSA-N 430.530 4.040 5 20 IIBD O=C(c1ccc(C(=O)N2CC[C@@H](c3ccco3)C2)c([N+](=O)[O-])c1)N1CC[C@@H](c2ccco2)C1 609549521 GCHRUSAFWKRXBJ-QZTJIDSGSA-N 449.463 4.040 5 20 IIBD COc1cccc(CCNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c1 609856706 CLTKPLIBUFPDGF-UHFFFAOYSA-N 435.267 4.068 5 20 IIBD COc1ccccc1[C@@H]1CCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 609982469 RBSRFJOZOXTWPJ-CQSZACIVSA-N 437.418 4.440 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(O[C@@H]2CCOC2)cc1 610051926 ATSRYRNCKIPEPT-MRXNPFEDSA-N 439.390 4.222 5 20 IIBD COc1cccc(Nc2nnc(SCCOc3ccc(OC)cc3[N+](=O)[O-])s2)c1 610216839 BECRARLQOIUVJH-UHFFFAOYSA-N 434.499 4.378 5 20 IIBD CCN(CC)Cc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)o1 612956178 UJFRFVVHBQZPNM-UHFFFAOYSA-N 435.278 4.433 5 20 IIBD O=C(OCc1nnc(-c2ccc(Br)s2)o1)c1cc(F)c(F)cc1[N+](=O)[O-] 725936461 YRFZUUUYVFAEPS-UHFFFAOYSA-N 446.185 4.104 5 20 IIBD CCOC(=O)c1ccc(N(CC2CC2)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc1 728166536 KMDDAZCKFGCJHW-UHFFFAOYSA-N 427.413 4.045 5 20 IIBD O=C(OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1cc2cc(F)ccc2s1 730702985 FAGRPDCWXROQJN-OAHLLOKOSA-N 428.441 4.410 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@H](COc1ccccc1)c1ccccc1 730914579 ALDFABBGCZODRI-LJQANCHMSA-N 439.855 4.123 5 20 IIBD O=Cc1c(OS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)ccc2ccccc12 731214284 APAATODYDBAZRR-UHFFFAOYSA-N 436.239 4.091 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1ccccc1COc1ccccc1 731614660 ZPMFQRZRCPIAHV-UHFFFAOYSA-N 436.420 4.012 5 20 IIBD O=C(Nc1nnc(-c2cccc(Br)c2)s1)c1cc(F)c(F)cc1[N+](=O)[O-] 732015975 IUDJKBWMXRAFME-UHFFFAOYSA-N 441.213 4.406 5 20 IIBD O=C(Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1)[C@H]1COc2ccccc21 733214216 JVYHAENSNZWBPN-FQEVSTJZSA-N 429.384 4.450 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 733531555 QGTGTXNYVRVBIX-FQEVSTJZSA-N 438.402 4.101 5 20 IIBD O=C(Nc1ccc2c(c1)CCN2C(=O)c1cccnc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 733841698 IWRYDIWMGOWYMW-UHFFFAOYSA-N 437.843 4.490 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Oc2cccc(NC(=O)c3ccco3)c2)cc1OC 734327623 NCMNZSGENRTCHZ-UHFFFAOYSA-N 426.381 4.067 5 20 IIBD CCc1ocnc1C(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 740269408 JABNQISOMVRFCU-SFHVURJKSA-N 429.816 4.335 5 20 IIBD O=C(COC(=O)c1ccccc1Oc1ccccn1)Nc1ccc(Cl)c([N+](=O)[O-])c1 741000568 IVUUBEZXROMPOL-UHFFFAOYSA-N 427.800 4.231 5 20 IIBD CC(C)(C)Cc1nc(-c2ccc(C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)no1 741555623 RQXPRRNMGNXQEK-UHFFFAOYSA-N 438.440 4.029 5 20 IIBD O=C1CCCN1C[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 742411273 MIFGQRVWUMJNEI-OAHLLOKOSA-N 433.390 4.037 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1 742884603 BZAYFVCJYUYRKO-AWEZNQCLSA-N 439.472 4.169 5 20 IIBD Cc1c(Br)cccc1C(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 744090296 RZXHSMRLXNHTPO-UHFFFAOYSA-N 434.290 4.134 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)C[C@H]1CCN(Cc2ccccc2)C1 744426732 WKOWUNCXPVZPDR-SJLPKXTDSA-N 430.936 4.029 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2ccccc2NC(=O)C(C)(C)C)cccc1[N+](=O)[O-] 745017872 UFKQAIILRUAFAT-AWEZNQCLSA-N 427.457 4.072 5 20 IIBD Cc1ccc(C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1NC(=O)OC(C)(C)C 745453898 ICYLRTBBMCVPGS-UHFFFAOYSA-N 447.419 4.185 5 20 IIBD Cc1ccc([C@H](NC(=O)COC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C2CC2)cc1 745568366 MFANDGIVSKSYLO-IBGZPJMESA-N 436.386 4.346 5 20 IIBD CCc1ccc(C(=O)OCc2nnc(-c3ccc(Br)cc3)o2)cc1[N+](=O)[O-] 747013696 RWDOSAZMJDLYOA-UHFFFAOYSA-N 432.230 4.327 5 20 IIBD CCn1c(/C(Cl)=C\c2ccc(C)c([N+](=O)[O-])c2)nc2cc(S(=O)(=O)N(C)C)ccc21 747126162 BAZOIMVTGXQRQE-MHWRWJLKSA-N 448.932 4.260 5 20 IIBD O=C(NCCOC(=O)c1ccccc1Oc1cccnc1)c1ccc([N+](=O)[O-])cc1Cl 748113642 QASSVROJMVJJTG-UHFFFAOYSA-N 441.827 4.022 5 20 IIBD C[C@H](Cc1ccccc1Cl)NC(=O)c1ccc([N+](=O)[O-])cc1I 751086159 FIFTZPFYHUXHNI-SNVBAGLBSA-N 444.656 4.214 5 20 IIBD CC(C)[C@@H](OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)C(=O)N1CCCC[C@H]1C 751690218 HLZGKDNYZWNJEF-BDJLRTHQSA-N 445.285 4.079 5 20 IIBD COc1c([N+](=O)[O-])cc(N[C@H](C)C[C@@H](O)c2cccs2)c([N+](=O)[O-])c1Br 751943850 YXGGRQCRJDDFFM-LDYMZIIASA-N 446.279 4.260 5 20 IIBD C[C@@H](OC(=O)C[C@@H](C)c1ccc(N)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 752084731 SOLWAUDYEGGSEY-VXGBXAGGSA-N 439.390 4.260 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)CCc1ccc(F)cc1F 752744503 AGFGHFHPEWZIRH-UHFFFAOYSA-N 430.411 4.293 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N(Cc1ccccc1)C[C@@H](O)c1ccco1 752775791 PAJCUSQWXGXJRV-LJQANCHMSA-N 444.871 4.373 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(N2CCC[C@H](COc3ccccc3Cl)C2)c1[N+](=O)[O-] 754064190 MVPGFZCFMSRHSS-AWEZNQCLSA-N 435.864 4.253 5 20 IIBD COC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)OC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F 755055536 OVOSZGMXKICJNY-PIGZYNQJSA-N 443.349 4.184 5 20 IIBD C[C@@H](Cc1cccc(Cl)c1)C(=O)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 756525650 AVKUIMWZPHKQOR-LBPRGKRZSA-N 425.268 4.053 5 20 IIBD CC(C)c1nc2ccc(NC(=O)C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)cc2s1 757273086 UXIXNWGDACRDON-UHFFFAOYSA-N 432.889 4.236 5 20 IIBD O=C(NC[C@@H](O)c1cc2ccccc2s1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 758315702 BPONKYVNLKGNGE-MRXNPFEDSA-N 425.491 4.396 5 20 IIBD CC(C)S(=O)(=O)CCCOC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 758915337 RQEOEVJPHDGBRR-UHFFFAOYSA-N 441.889 4.411 5 20 IIBD CC(=O)N(c1cccc(Cl)c1)c1nc(COC(=O)c2cccc([N+](=O)[O-])c2N)cs1 758958443 VBHHWVSKGIMROP-UHFFFAOYSA-N 446.872 4.329 5 20 IIBD O=C(CCCc1nc(-c2ccc(F)cc2)no1)O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 759946061 IKHYTDDHNMYZCF-IRXDYDNUSA-N 443.435 4.030 5 20 IIBD O=C(N[C@@H](C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1)c1ccco1 760468859 BRJPODWQKBVDQJ-HXUWFJFHSA-N 447.403 4.057 5 20 IIBD Cc1nn(C)c(C)c1[C@@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(F)(F)F 760757928 IURQZBLSYFOMMH-CYBMUJFWSA-N 436.184 4.168 5 20 IIBD O=C(COC(=O)Cn1c(C2CCCCC2)nc2ccccc21)Nc1ccccc1[N+](=O)[O-] 761602097 NXGFXICNTSATGW-UHFFFAOYSA-N 436.468 4.174 5 20 IIBD C[C@H](C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)cc1 766995528 IKZDKHXSYUHTSV-JTQLQIEISA-N 441.665 4.296 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1Cc1ccc(Br)c([N+](=O)[O-])c1 769452118 PQJOEWNXDMSJRH-KRWDZBQOSA-N 448.317 4.277 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2nnc(-c3ccccc3Cl)s2)ccc1Cl 769847544 VYVYDHMJZHMCDE-UHFFFAOYSA-N 431.282 4.221 5 20 IIBD CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCC(OCc2ccccc2OC)CC1 769927411 HNMKXGSIWAAZFM-UHFFFAOYSA-N 432.448 4.105 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1cc(F)c([N+](=O)[O-])cc1F 773893344 NIEZDRHXSFMBQV-JDNHERCYSA-N 429.217 4.142 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)c1csc(Cc2cccc(F)c2)n1 778795916 YDUAHXGQXQFWTA-GOSISDBHSA-N 427.457 4.217 5 20 IIBD O=C(Nc1cccc(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c1)C1CCCCC1 781712727 BSPQALVCKLZTNT-OAQYLSRUSA-N 436.468 4.245 5 20 IIBD CC(C)(C)OC(=O)c1ccc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(F)c1 781777036 JWWOANRNPMAUPN-UHFFFAOYSA-N 433.392 4.169 5 20 IIBD CCN1C(=S)N[C@H](c2scnc2C2CC2)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)=C1C 783653642 DECAQIKRHADRKK-KRWDZBQOSA-N 443.554 4.093 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCCN(c2ncccc2F)CC1 784017452 BIXGSCQYDQHEPM-UHFFFAOYSA-N 446.280 4.156 5 20 IIBD Cc1cc(Cl)ccc1NC(=O)[C@@H](C)OC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 786784669 HTJSJKLRNCLJNL-CYBMUJFWSA-N 443.843 4.054 5 20 IIBD O=C(O[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1cc([N+](=O)[O-])cc(Cl)c1F 787792515 BWNSTPHWGVTURT-MRXNPFEDSA-N 442.777 4.014 5 20 IIBD CN(Cc1ccccc1NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)c1ccccc1 790166395 YRJBEHCIZASEEO-QHCPKHFHSA-N 430.464 4.363 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 790276550 UCQJVEMFXNJZAJ-INIZCTEOSA-N 442.802 4.214 5 20 IIBD C[C@H](OC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc(Cl)ccc1F 790740798 KJIZSSXGGPRYAD-QMMMGPOBSA-N 433.194 4.293 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1OC 791235147 QLBWBRWOXPRDNK-UHFFFAOYSA-N 447.444 4.087 5 20 IIBD COc1cc(COC(=O)c2cnc3c(F)cccc3c2)c([N+](=O)[O-])cc1OCC(F)F 795838405 CCAWCDPJRSDEIS-UHFFFAOYSA-N 436.342 4.292 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(I)c1)c1cc(F)cc2cccnc12 801698832 LBPHLCNGMATWJF-UHFFFAOYSA-N 437.168 4.139 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C)cc1Br 803637425 OTEQDTABMHGGCB-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2occ3c2CCOC3)c2ccccc2)c([N+](=O)[O-])c1 803884560 XRKJZPVHFRNRFB-FQEVSTJZSA-N 436.420 4.106 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cccc(Cl)c1OCC(F)F 807729605 ORLDKNVUXILYRQ-UHFFFAOYSA-N 429.763 4.372 5 20 IIBD COC(=O)c1cc(S(=O)(=O)Oc2ccc(Cl)c([N+](=O)[O-])c2)c(Cl)cc1Cl 808350225 IJPOLVGBBSDGAF-UHFFFAOYSA-N 440.644 4.109 5 20 IIBD C[C@@H](NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1nc2ccccc2n1C(F)F 809807219 MGKZBVLIVFWKKP-MRVPVSSYSA-N 448.810 4.172 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)c(Cl)cc1Cl 809832750 SGFNFAPDLVEVGR-LRDDRELGSA-N 431.297 4.100 5 20 IIBD Cc1nnc(N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)n1CCc1ccccc1 812056755 UBAOIOGVXAXIQL-UHFFFAOYSA-N 442.317 4.063 5 20 IIBD CC(C)(C)OC(=O)NCCN1C(=O)c2ccccc2N[C@@H]1c1ccc([N+](=O)[O-])cc1Cl 877855889 LUSMWBMAWUVGBP-SFHVURJKSA-N 446.891 4.339 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc(-n2cc(Br)cn2)cc1 914832904 DNLCRKSKBUOIKB-UHFFFAOYSA-N 449.692 4.469 5 20 IIBD O=C(CC[C@H]1CCCO1)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 914971310 SJUSBYYOHNBJEE-OXQOHEQNSA-N 432.860 4.430 5 20 IIBD Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Oc3cccc([N+](=O)[O-])c3C)cc2)cc1 917048355 CBRCBDFDXSYODA-UHFFFAOYSA-N 425.462 4.405 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)cc1[N+](=O)[O-] 918176092 MAEKYYCOUMCREC-UHFFFAOYSA-N 440.456 4.468 5 20 IIBD CC(C)(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccc(F)cc1 918627112 IVQAUTUZBJZEKL-VBKZILBWSA-N 431.439 4.130 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1NC(=O)c1ccncc1 921285473 GLQBHHGMSMAMPY-UHFFFAOYSA-N 435.396 4.019 5 20 IIBD COc1ccc(NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc1NC(=O)OC(C)(C)C 1319145949 MUXSGRQNUFBMNU-UHFFFAOYSA-N 428.445 4.498 5 20 IIBD O=C(NCCN[C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccccc1C(F)(F)F 1320577050 HOJWGUIFRSBBJY-HNAYVOBHSA-N 435.446 4.344 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCCc2coc(-c3ccccc3)n2)CC1 1321161844 KKPHUTUKMUCIHY-UHFFFAOYSA-N 434.496 4.459 5 20 IIBD Nc1c(C(=O)Nc2cccc(Oc3ccccn3)c2)cc(Br)cc1[N+](=O)[O-] 1321258197 NTTZSBCLFWJBKD-UHFFFAOYSA-N 429.230 4.379 5 20 IIBD COc1ccc(CSCC(=O)N2CCO[C@H](c3ccc(Cl)s3)C2)cc1[N+](=O)[O-] 1330155966 BKQVABYVWZTKEX-HNNXBMFYSA-N 442.946 4.152 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@@H]3CCCCO3)cc2)CCC1)c1ccc([N+](=O)[O-])cc1F 1785889978 JRNRVMMFINLIGG-FQEVSTJZSA-N 441.459 4.051 5 20 IIBD Cc1ncc(C(=O)NC2(c3ccc(NC(=O)CCc4cccc([N+](=O)[O-])c4)cc3)CCC2)[nH]1 1786598964 KLNLUDFICCRTKE-UHFFFAOYSA-N 447.495 4.007 5 20 IIBD CC(C)O[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3F)CCC2)cc1 1789596476 CCRDGBMRXOWSOF-OAHLLOKOSA-N 443.475 4.295 5 20 IIBD Cc1ccnc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4F)cc3)CCC2)c1 1790621762 GHNIJAUHESQTDQ-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD CC(C)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2cccc([N+](=O)[O-])c2)CCC1 1800041949 YRKKGWIABPEDSY-ACDBMABISA-N 427.545 4.091 5 20 IIBD O=C(CCC1CCC1)N1CCC2(CCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)CC1 1806486921 ZWGXVTVWGKVGMV-UHFFFAOYSA-N 441.572 4.339 5 20 IIBD CCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cccc([N+](=O)[O-])c2)n[nH]1 1815538448 JYKLQDZAVYDRSW-LJQANCHMSA-N 441.532 4.379 5 20 IIBD C/C=C(/C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CSc2ccccc2[N+](=O)[O-])CC1 1831352044 YWMZEPZMXPNCBP-NZZRGJJISA-N 445.585 4.273 5 20 IIBD Cc1cccc(F)c1C(=O)N1CC2(CCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)C1 1845500382 WATIHVMYOKNHBR-UHFFFAOYSA-N 445.878 4.135 5 20 IIBD CC1CCN(c2ccc(C(=O)OCC(=O)Nc3ccccc3Cl)cc2[N+](=O)[O-])CC1 10210154 HGALZEORIZJMNO-UHFFFAOYSA-N 431.876 4.280 5 20 IIBD Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Br)n2)cc1 21674835 XRQMGWBELMPFIM-UHFFFAOYSA-N 448.302 4.182 5 20 IIBD CCCCc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 23303110 MEPOASPXFUETQA-HNNXBMFYSA-N 440.529 4.341 5 20 IIBD Cc1cccc(C)c1OC[C@H](O)COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 27214607 SJXFKTJNBMLJLD-OAQYLSRUSA-N 436.464 4.283 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@H](c3nc(C)no3)C2)c([N+](=O)[O-])c1 64638338 VKTWISWACPYUHQ-GHTZIAJQSA-N 435.484 4.154 5 20 IIBD CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)COc1ccc([N+](=O)[O-])cc1 69101430 KNPKQBHDMUKOTQ-UHFFFAOYSA-N 430.848 4.114 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c([N+](=O)[O-])cc1OC 107963524 HIKNDHRMIIJKPD-KBPBESRZSA-N 447.463 4.007 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)c1C 109941007 OJWHSMZGTJEWEU-UHFFFAOYSA-N 431.445 4.017 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1ccc2[nH]c(C(F)F)nc2c1)c1ccccc1[N+](=O)[O-] 111138257 WDIDKIAACNTICB-OAHLLOKOSA-N 446.410 4.222 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1cc(Br)cs1)c1ccccc1[N+](=O)[O-] 195714647 KEVNNUAVGBVEAW-CYBMUJFWSA-N 441.303 4.232 5 20 IIBD O=[N+]([O-])c1cnc(N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c(Br)c1 302146986 GVTCPLZCANJUKS-CQSZACIVSA-N 432.196 4.349 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 303359666 HIYSPUFXTBNNMF-VGSWGCGISA-N 449.532 4.442 5 20 IIBD COc1cc(CCNC(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])cc1OC 410158566 QSYVZOBZKYBZAD-GFCCVEGCSA-N 441.406 4.234 5 20 IIBD COc1cc(CCNC(=O)[C@@H](C)Oc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])cc1OC 410190740 KRBIIYQOQYUPPZ-LLVKDONJSA-N 443.283 4.045 5 20 IIBD Cc1cnc([C@H](C)NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)s1 427057035 MOJZJBGTBFLQID-AWEZNQCLSA-N 438.509 4.148 5 20 IIBD Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)cccc1-c1ncco1 427330918 NGHLCPMLAUDJJN-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD COc1cccc(-c2nc(C)c(C(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)[nH]2)c1 427599066 LMYUQPMZGIVXEH-UHFFFAOYSA-N 434.374 4.251 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H](CO)c1ccc(Br)c(F)c1 429022921 UDTVLTHRBSTUTQ-QGZVFWFLSA-N 427.270 4.107 5 20 IIBD COc1ccc(Cl)cc1C1(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCOCC1 429910758 QEGVVPIYZSSEHP-UHFFFAOYSA-N 446.931 4.399 5 20 IIBD COc1cc(CN2C[C@@H](C(F)(F)F)OC(C)(C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F 430214657 CDNYYXOTRLRZQY-AWEZNQCLSA-N 446.344 4.086 5 20 IIBD CN1CCC(N2CCC(CCN(C)C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC2)CC1 430671127 PDNJGKUUTHGAFC-UHFFFAOYSA-N 444.620 4.161 5 20 IIBD CC(C)(NC(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1 431077589 PKCGYZNETRQJDY-UHFFFAOYSA-N 431.514 4.368 5 20 IIBD COc1cc(F)c([C@@H](C)NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1OC 431434656 NVGHYUMGBFJWJI-SECBINFHSA-N 427.226 4.005 5 20 IIBD CC(C)[C@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 435661145 BWIXETSARNEDRR-FQEVSTJZSA-N 429.860 4.029 5 20 IIBD O=C(c1c(Cl)cccc1Cl)N1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 436319426 PXIYSGUNOJUNHH-UHFFFAOYSA-N 449.216 4.278 5 20 IIBD CCOc1cc2c(cc1NC(=O)N1CCC(Oc3ccc([N+](=O)[O-])cc3)CC1)O[C@H](C)C2 437634724 KPROKQJJVVSGPE-OAHLLOKOSA-N 441.484 4.392 5 20 IIBD Cc1c(CC(=O)Nc2cccc(CS(=O)(=O)Cc3ccccc3)c2)cccc1[N+](=O)[O-] 438844580 WFLPGEKWUCXOHF-UHFFFAOYSA-N 438.505 4.199 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ccc(CCC(F)(F)F)cc1 439987029 FMEDSLCGGBHAJX-UHFFFAOYSA-N 429.782 4.112 5 20 IIBD O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CC[C@H]([C@@H]2CCOC2)C1 441576978 APMJDZCCFZJJAO-ZWKOTPCHSA-N 429.904 4.359 5 20 IIBD C[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1nc(-c2cccc(F)c2)no1 444112495 CMBCBKMKHFNFRT-ZDUSSCGKSA-N 428.423 4.361 5 20 IIBD CCCN(CC(=O)OC(C)(C)C)C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444313500 NQWUDOWDROZTGW-UHFFFAOYSA-N 430.451 4.153 5 20 IIBD CCOC(=O)[C@H]1CCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c2ccccc21 444705912 MZXYVSXKMTVPTP-HNNXBMFYSA-N 436.411 4.262 5 20 IIBD CC(C)C[C@H](CNC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N[C@H](C)c1ccccc1 445220459 UROWDBJZJPOXNA-SJLPKXTDSA-N 438.532 4.036 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(Cc3csc(-c4cccc(F)c4)n3)n2)c1 445572601 DRJYBHFURNCFPS-UHFFFAOYSA-N 426.429 4.431 5 20 IIBD COc1cc(OCc2nc(-c3cnn(-c4cccc(Cl)c4)c3)no2)ccc1[N+](=O)[O-] 445646488 AMDACDUZGDZGNJ-UHFFFAOYSA-N 427.804 4.072 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2OCC(F)(F)F)c(C(F)(F)F)c1 446988512 YVZPWVUYVZSUIV-UHFFFAOYSA-N 444.309 4.356 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(c2cccc3cnccc23)C[C@H]1C 447400887 SURMXPFFWYMMRF-SJORKVTESA-N 444.495 4.465 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cn1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 460360018 CVIWHSUEPLLNNZ-INIZCTEOSA-N 429.445 4.375 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3F)cc2)c1 460977092 FSFQWVGQZGVNLP-UHFFFAOYSA-N 447.419 4.235 5 20 IIBD CN(CC(=O)Nc1ccccc1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cccs1 461015450 NDWFLXMDMZEMCQ-UHFFFAOYSA-N 448.508 4.038 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3C[C@H]4CC[C@H]3c3ccccc34)n2C[C@@H]2CCCO2)c1 461134762 ZAYKJHXSGHMUHD-LZNRXBQRSA-N 431.496 4.471 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3cc(C)n(C4CCCCC4)n3)cc2)c(C)c1[N+](=O)[O-] 461191702 PXJUCBBHQANDPG-UHFFFAOYSA-N 436.516 4.719 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 461431141 QTWAMWNCJXKIGO-SXLOBPIMSA-N 425.554 4.056 5 20 IIBD CNc1c(C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)cccc1[N+](=O)[O-] 462983447 CLRPEGDLRXOSNN-INIZCTEOSA-N 428.247 4.296 5 20 IIBD Cc1cccc(Oc2cc(CNc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])ccn2)c1C 463024357 KPERKQYFNLBKCU-UHFFFAOYSA-N 427.482 4.415 5 20 IIBD CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 464086796 WUUYBJQXHWSBRY-UHFFFAOYSA-N 448.300 4.216 5 20 IIBD O=C(COc1cc(Cl)ccc1Cl)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464663730 XSVLWLNBTHINAN-UHFFFAOYSA-N 425.268 4.350 5 20 IIBD CN1CCC(N(C[C@@H]2C[C@H]3C=C[C@H]2C3)C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 464682160 FHESKERTSFKOGK-JYJNAYRXSA-N 448.361 4.106 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NC[C@@H]3CCN(CC(C)C)C3)cc2[N+](=O)[O-])n1 465271372 ADLBRMHRMPAUOF-HNNXBMFYSA-N 434.587 4.219 5 20 IIBD CN(Cc1ccccc1-c1ccccc1)C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 468892948 IRNVSOJCBONMAR-UHFFFAOYSA-N 443.459 4.187 5 20 IIBD Cc1cc(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)ccc1OCC(F)(F)F 470364597 VIVKNDLDIYDKDH-UHFFFAOYSA-N 425.363 4.139 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(N[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)c([N+](=O)[O-])c1 470880557 RAXCJWOSJDGIDB-IFMALSPDSA-N 447.557 4.266 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC(Oc2cccc(Br)c2)CC1 471121141 GDXKANQUZSRKNQ-UHFFFAOYSA-N 449.301 4.440 5 20 IIBD CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 472628483 RSPRKQKUEYGCND-CYBMUJFWSA-N 428.247 4.117 5 20 IIBD Cc1ccc(NC(=O)C(=O)Nc2ccc(N3CCCCC3)c3ncccc23)cc1[N+](=O)[O-] 473059088 PDQRMJAYEZMFDZ-UHFFFAOYSA-N 433.468 4.019 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3sc(C(C)(C)C)nc3C)CC2)ccc1[N+](=O)[O-] 477344204 AZJBZOYKZULDCZ-UHFFFAOYSA-N 432.546 4.018 5 20 IIBD C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(Cc2nc(-c3ccccc3Cl)cs2)C1=O 478932629 FKSILYIGTJSEEU-HXUWFJFHSA-N 442.884 4.339 5 20 IIBD O=C(CCc1nc(-c2ccco2)no1)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 483846830 MDIAHCRQWLJRGH-UHFFFAOYSA-N 432.392 4.040 5 20 IIBD O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)c(C(=O)NCc2ccccc2F)c1 484281119 OMPIKJFUDRHTDJ-UHFFFAOYSA-N 441.846 4.499 5 20 IIBD Cc1cc(C)n(-c2ccc(NC(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)cn2)n1 485600415 ORNUBQOJELGYKI-UHFFFAOYSA-N 434.378 4.133 5 20 IIBD COc1cc(C(=O)O)cc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c1OC 486027842 KXIDMDOZJOHVEZ-UHFFFAOYSA-N 437.408 4.306 5 20 IIBD Cc1ccc(-n2cnc3c2CCN(c2ncc([N+](=O)[O-])c(C)c2Br)C3)cc1 486784350 YGCWXYPSFRBXGI-UHFFFAOYSA-N 428.290 4.118 5 20 IIBD COc1ccc(-c2ccc(C(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)c(F)c2)c(F)c1 487048431 SBCOKTGCFXOCNJ-UHFFFAOYSA-N 442.422 4.222 5 20 IIBD CC(C)(C)C(=O)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 487910455 HXDUGKBTCWFOSB-HNNXBMFYSA-N 429.498 4.128 5 20 IIBD Cn1c(C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2F)ccc1[N+](=O)[O-] 489227621 XCIDKYOIOBCSHY-GOSISDBHSA-N 432.249 4.354 5 20 IIBD COc1c(S(=O)(=O)N(C)c2cccc(C)c2C)cc(Br)c(C)c1[N+](=O)[O-] 491591797 OLOKGONCMCMHRQ-UHFFFAOYSA-N 443.319 4.116 5 20 IIBD Cc1ccc(NC(=O)C(=O)N(C)CCc2ccccc2[N+](=O)[O-])c(OCc2ccccc2)c1 506731745 MMCSQVZFBFMWQF-UHFFFAOYSA-N 447.491 4.122 5 20 IIBD CCN(CC)C(=O)c1cccc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1 509697579 JMYUZKGCGUUJKA-UHFFFAOYSA-N 434.290 4.400 5 20 IIBD O=C(N[C@@H](C[C@H]1CCOC1)c1ccccc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 511398318 MILAROPYAFQHTC-JPYJTQIMSA-N 439.512 4.316 5 20 IIBD COc1ccc(CSCC(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)cc1[N+](=O)[O-] 512190545 YIMBERKAJKVLIA-VQIMIIECSA-N 430.526 4.121 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@H](c3cccs3)N(C)C)cc2[N+](=O)[O-])C1 512498181 AZHMBOXIVBKVAS-JXXFODFXSA-N 430.574 4.171 5 20 IIBD COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 513914126 ACZCKRYFUMEFND-UHFFFAOYSA-N 448.357 4.147 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCc3ccccc3Br)cc2)c(C)c1[N+](=O)[O-] 514532369 WMBOHPGWXOATMS-UHFFFAOYSA-N 443.301 4.149 5 20 IIBD CC(C)Cc1ccc(C(=O)C2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)CC2)cc1 515733774 OMCPAWUDJCEDNW-UHFFFAOYSA-N 448.516 4.216 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)c1 516336918 KPPHBNDITGWKDN-UHFFFAOYSA-N 428.832 4.112 5 20 IIBD CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)c2cc3ccccc3c3cccnc23)cc1 517909161 PIFVFUIBZWWHPK-UHFFFAOYSA-N 447.560 4.146 5 20 IIBD COc1ccc(CNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])cc1OC 517990299 VDODPWJJFPWYRU-INIZCTEOSA-N 436.464 4.363 5 20 IIBD Cc1nc(-c2ccccc2I)n(Cc2cccc([N+](=O)[O-])c2C)n1 521042475 JVSWOFBDRCTJRA-UHFFFAOYSA-N 434.237 4.123 5 20 IIBD COc1ccc(C[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])c2ccc(OC)cc2)cc1 521532986 HHLBCFNDMGHTHT-QFIPXVFZSA-N 435.480 4.124 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc(-c4cccs4)no3)cc2)cc1[N+](=O)[O-] 521891459 WKFGZOCZJRLAHO-UHFFFAOYSA-N 442.478 4.483 5 20 IIBD Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 523089910 NUUMUKMMIFDJBM-KKLQWCBXSA-N 435.524 4.221 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1cccc(C[S@](=O)c2ccccc2)c1 523787703 QQFOYOYMSYWWRV-HKBQPEDESA-N 438.509 4.136 5 20 IIBD CC(C)[C@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccncc2)no1 524838742 BCIFYSYLJPDNHU-IBGZPJMESA-N 438.488 4.059 5 20 IIBD CN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(c2ccccc2Cl)C1=O 524838889 IWJOZLIMZQXMOE-FQEVSTJZSA-N 444.919 4.018 5 20 IIBD O=C(Nc1nnc(Cc2ccc(F)cc2)s1)c1cc(Br)cc([N+](=O)[O-])c1 532739883 ACCFACUFMCXBEC-UHFFFAOYSA-N 437.250 4.191 5 20 IIBD COc1cc(CNc2ccc(-n3cnnn3)c(C)c2)c([N+](=O)[O-])cc1OCc1ccccc1 533209653 QCMRQHRCDVHZQE-UHFFFAOYSA-N 446.467 4.079 5 20 IIBD O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCO[C@@H](c2cccc(Br)c2)C1 534226113 LCXGSNACGWCCPG-QGZVFWFLSA-N 430.258 4.052 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 534694310 CEJPLCCAYZNHJK-ZDUSSCGKSA-N 428.436 4.202 5 20 IIBD Cc1c(NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cccc1C(=O)N1CCSCC1 534793011 PGURQZMTHSLVOX-UHFFFAOYSA-N 438.509 4.359 5 20 IIBD CCN(CCC1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1)CC1CC1 536595337 RVPJZTONDRTTBS-UHFFFAOYSA-N 438.366 4.332 5 20 IIBD Cc1c(C(=O)NCCNc2ncnc3ccc([N+](=O)[O-])cc23)sc2cccc(F)c12 537180508 BGHVJUKHWZCLHG-UHFFFAOYSA-N 425.445 4.042 5 20 IIBD Cc1ccc(-c2nc(NC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)sc2C)s1 537343297 OGUOKFLDOJLESK-UHFFFAOYSA-N 444.538 4.486 5 20 IIBD O=C(Nc1ccc(Sc2ccncc2)cc1)c1cccc([N+](=O)[O-])c1N1CCOCC1 537358390 TWBBUFRUPIAAGT-UHFFFAOYSA-N 436.493 4.230 5 20 IIBD CC(C)c1[nH]nc(C(=O)Nc2ccc(CN(C[C@H]3CCCCO3)C(C)C)cc2)c1[N+](=O)[O-] 539320088 HDZTWHZJVSIFIJ-LJQANCHMSA-N 443.548 4.473 5 20 IIBD CC(=O)Nc1nc(C(=O)N(CC(C)C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cs1 539355637 KMTSHJINKJLEND-UHFFFAOYSA-N 445.526 4.436 5 20 IIBD COc1cc(Br)c(CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)cc1OC 539889445 AOJIDLLCIPTZDM-UHFFFAOYSA-N 437.290 4.230 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)c([N+](=O)[O-])c1 540362192 FBPLPBBOJPKQPD-STQMWFEESA-N 441.406 4.222 5 20 IIBD O=[N+]([O-])c1ccc(CNCc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c(Cl)c1 542484957 BPFVVEHAPFPMKM-UHFFFAOYSA-N 449.891 4.478 5 20 IIBD COc1ccccc1-c1noc([C@H](C)N[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1 543546676 UYNAUNBGNVHLCE-STQMWFEESA-N 436.428 4.115 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1[N+](=O)[O-] 543908869 WPLYVPVBFPVUGG-UKRRQHHQSA-N 425.411 4.226 5 20 IIBD CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C[C@H]1N1CCCC1 545877570 TZGUUVAHWPTZQJ-CTNGQTDRSA-N 427.526 4.039 5 20 IIBD COc1cc(Cc2noc(-c3ccc(NC(=O)CC(C)C)c(F)c3)n2)ccc1[N+](=O)[O-] 546495582 XUKRPQGOJAQKHL-UHFFFAOYSA-N 428.420 4.368 5 20 IIBD COc1ccc(-c2ccc(-c3noc(CCNC(=O)c4ccc([N+](=O)[O-])cc4)n3)cc2)cc1 547187166 VOEHKJOEBMVPQR-UHFFFAOYSA-N 444.447 4.293 5 20 IIBD O=[N+]([O-])c1cc2c(N3CCC[C@H](c4nc(-c5ccc(F)cc5)no4)C3)ncnc2s1 557570844 ULPJMEGDLPTKID-LBPRGKRZSA-N 426.433 4.173 5 20 IIBD CCC(=O)c1ccc(NCc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)c([N+](=O)[O-])c1 557670467 BGFXFFSRYMKACO-HSZRJFAPSA-N 436.468 4.025 5 20 IIBD CCn1c(Cc2ccccc2Cl)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 558878244 YSYPLHBPXNELLD-UHFFFAOYSA-N 441.919 4.498 5 20 IIBD Cc1cc(Sc2nnc3ccc(Br)cn23)nc(-c2ccc([N+](=O)[O-])cc2)n1 558992643 SOLBMRVZNSMVCV-UHFFFAOYSA-N 443.286 4.317 5 20 IIBD O=C(Nc1ccc(Cc2nnc3ccccn23)cc1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 559743980 VYFSIQVZBQZSTR-UHFFFAOYSA-N 441.369 4.499 5 20 IIBD Cc1nn(Cc2ccc(-c3nc(-c4ccncc4N4CCCC4)no3)cc2)c(C)c1[N+](=O)[O-] 567157207 QXOUBHZLXFBMNS-UHFFFAOYSA-N 445.483 4.169 5 20 IIBD COc1cc(CNc2ccc(C(=O)NCc3ccc(F)cc3)cc2)c([N+](=O)[O-])cc1OC 567181452 LCIAYMWXPNPCHR-UHFFFAOYSA-N 439.443 4.293 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc([C@H]3CCN(c4ccccc4F)C3)n2)c(Br)c1 567549985 PFAQDDDLBFEQAP-ZDUSSCGKSA-N 447.264 4.464 5 20 IIBD O=C(c1ccccc1)c1ccc(N2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c([N+](=O)[O-])c1 567784611 OZXYXCLLLFXEMY-RUZDIDTESA-N 434.467 4.396 5 20 IIBD CC(C)(C(=O)Nc1cccc(NC(=O)NCc2ccncc2)c1)c1ccccc1[N+](=O)[O-] 573390930 DZEUIMKUCLQWDD-UHFFFAOYSA-N 433.468 4.228 5 20 IIBD O=[N+]([O-])c1ccc2nc(N3CCc4[nH]c5c(Br)cccc5c4C3)nc(O)c2c1 587454906 KBHREEGCZBNEQY-UHFFFAOYSA-N 440.257 4.050 5 20 IIBD O=C(NC/C=C\c1cccnc1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 590396864 FVXCEMUJDMRFHU-RQOWECAXSA-N 434.418 4.055 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(C[C@@H](C)c2ccccc2)o1 594638939 NBRGSRNHXDQLPV-KGLIPLIRSA-N 442.497 4.452 5 20 IIBD COc1cc(CNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])ccc1OCC(F)(F)F 603864462 GLUIFIXYWCLVNF-UHFFFAOYSA-N 441.406 4.295 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1 603980429 ZHMJMXSNECZILX-UHFFFAOYSA-N 443.456 4.024 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1nc2cc3c(cc2s1)OCCCO3 604446831 WSXRAOSYGFQYHZ-SNVBAGLBSA-N 449.872 4.425 5 20 IIBD Cc1ccccc1CN(Cc1ccccc1)C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 608879506 UPOHXLGKGRPRCU-LJQANCHMSA-N 431.492 4.251 5 20 IIBD COc1ccc(CC(=O)Nc2ccc(F)c(NC(=O)c3ccoc3C)c2)cc1[N+](=O)[O-] 609011412 WABSIPWROZDAJJ-UHFFFAOYSA-N 427.388 4.077 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NC(C)(C)C(=O)Nc2ccccc2)cc1[N+](=O)[O-])c1ccccn1 609376298 GXBHYVJEKQZSPC-MRXNPFEDSA-N 447.495 4.310 5 20 IIBD CCCCOc1ccc([C@@H](C)N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC 609450894 AQOLUHZYQRXHIH-OXQOHEQNSA-N 427.501 4.238 5 20 IIBD CC(=O)N(Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C1CC1 609863825 PSFGUHKOTIKUDS-ZDUSSCGKSA-N 431.876 4.165 5 20 IIBD O=C(NCc1ccco1)c1cccc(COc2ccc(Br)cc2[N+](=O)[O-])c1 610219679 ZMLIHODMIRUKPS-UHFFFAOYSA-N 431.242 4.459 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 611153853 AHZXGAGVPXKGOF-UHFFFAOYSA-N 446.438 4.326 5 20 IIBD O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611207044 ZBHYBAPNDBGWHW-INIZCTEOSA-N 431.558 4.150 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1Cc2cccc(Br)c2C1 613689718 VWRUXFABOUWJND-UHFFFAOYSA-N 430.302 4.116 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cnc2ncc(Br)cc2c1 614806266 OBCKSXYDZWQVAT-UHFFFAOYSA-N 439.172 4.154 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)[C@H](C)c1ccccc1C(F)(F)F 619494255 LKAXCZOBUUSZGS-NWDGAFQWSA-N 432.420 4.093 5 20 IIBD CCOCCNC(=S)/C(=C(/O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1ccc(C(C)(C)C)cc1 725763170 RJYYTWXACQPFCJ-UHFFFAOYSA-O 444.577 4.326 5 20 IIBD COc1ccc(C(=O)NCC(=O)Nc2ccc(SC(C)(C)C)cc2C)cc1[N+](=O)[O-] 725903794 AIBNSUVHIOZHAZ-UHFFFAOYSA-N 431.514 4.171 5 20 IIBD C[C@H](Oc1ccccc1C(F)(F)F)C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 727205836 OIJWWOIFPLZWNP-JTQLQIEISA-N 446.765 4.216 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2cnc(Cc3ccc(F)cc3)s2)cccc1[N+](=O)[O-] 727219511 YYZNKBSTOLJXDQ-CYBMUJFWSA-N 443.456 4.274 5 20 IIBD C[C@H](OC(=O)c1cnn(-c2ccc(Cl)nn2)c1C(F)(F)F)c1cccc([N+](=O)[O-])c1 728167748 SVENFDUAFISBKM-VIFPVBQESA-N 441.753 4.161 5 20 IIBD Cc1cc(C(=O)N(C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)c(N)c([N+](=O)[O-])c1 729524742 NUPZGZLNXUDYFW-UHFFFAOYSA-N 425.407 4.316 5 20 IIBD COc1ccc2oc(C(=O)OC[C@H]3CCCN3C(=O)c3ccccc3[N+](=O)[O-])c(C)c2c1 730705927 SXEQNZBJWDPGEE-OAHLLOKOSA-N 438.436 4.120 5 20 IIBD CN(CCc1ccccc1F)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 731680840 UVENBDGNWIJVGM-UHFFFAOYSA-N 428.386 4.049 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1 733252108 DLXKIZMIKRUSGJ-UHFFFAOYSA-N 441.252 4.285 5 20 IIBD COc1ccc(COC(=O)CCc2c(C)nn(Cc3ccc(C)cc3)c2C)cc1[N+](=O)[O-] 733550669 ILWCICDKSVHVSJ-UHFFFAOYSA-N 437.496 4.449 5 20 IIBD O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1occc1CS(=O)(=O)c1ccccc1 734886832 DBLLYODYLAZEBF-UHFFFAOYSA-N 435.841 4.172 5 20 IIBD Nn1c(SCc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccccc1Br 735414897 MZWOXOSFLWYWLL-UHFFFAOYSA-N 440.710 4.275 5 20 IIBD CCc1noc([C@H](C)OC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 744565023 QFASUPDTSRRFMK-NSHDSACASA-N 442.394 4.080 5 20 IIBD C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)OCCOc1cccc([N+](=O)[O-])c1 745228636 YXHAQGQJQSRLAF-ZDUSSCGKSA-N 436.258 4.188 5 20 IIBD COc1cccc(F)c1C(=O)O[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 745311383 JHLPMXCUKPFJDS-LLVKDONJSA-N 445.428 4.050 5 20 IIBD Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1NC(=O)OC(C)(C)C 745453849 GWDLSZKOJSAJGA-CQSZACIVSA-N 443.456 4.434 5 20 IIBD Cc1c(Br)cccc1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 745520240 ZZNIMJBQBXCTEV-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 746000032 WXZIWYMKBFXMIH-QBFSEMIESA-N 430.376 4.417 5 20 IIBD CCCN(Cc1ccccc1Br)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 746042809 GXOXDIBDERQGNM-UHFFFAOYSA-N 430.306 4.486 5 20 IIBD C[C@@H](CC(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)c1cccc(F)c1 746084939 AHZNDDRKFHRAPD-RYUDHWBXSA-N 436.823 4.167 5 20 IIBD O=C(CNc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCc2cc([N+](=O)[O-])ccc21 749273614 SAXXOIHSQPWOMJ-UHFFFAOYSA-N 434.408 4.297 5 20 IIBD O=C(CNS(=O)(=O)c1ccc(Cl)s1)OCc1nc2ccccc2c2ccccc12 750217331 MQKOUNMVZDCBPC-UHFFFAOYSA-N 446.937 4.125 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCCSc2ccc(Cl)cc21 750933760 CRNNNPZZAYGMRA-UHFFFAOYSA-N 433.917 4.227 5 20 IIBD CNC(=O)c1cc(Oc2cccc(OC(=O)c3c(Cl)cccc3[N+](=O)[O-])c2C)ccn1 751322801 XEGWPEUDSJMDNP-UHFFFAOYSA-N 441.827 4.323 5 20 IIBD COCCc1nc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)ccc2o1 753316420 BAIPZRJHSNTISH-UHFFFAOYSA-N 438.484 4.414 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)NCCc1cccc(Cl)c1Cl 754985685 HYNJBHDXSRKTRM-UHFFFAOYSA-N 449.649 4.210 5 20 IIBD O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1CN1CCC[C@@H]1c1ccccc1C(F)(F)F 755273346 BNQUWWMWOCCNOQ-QGZVFWFLSA-N 434.374 4.225 5 20 IIBD Cc1csc(Sc2ccc(C(=O)OC3CCN(CC(F)F)CC3)cc2[N+](=O)[O-])n1 755864052 DCVNXXGAZWWWDY-UHFFFAOYSA-N 443.497 4.397 5 20 IIBD C/C(=C/c1cccc(Cl)c1)C(=O)N(C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 759216953 QQTQLXPBHKEVFK-FLIBITNWSA-N 429.281 4.152 5 20 IIBD O=C(NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1cccc([N+](=O)[O-])c1Br 760808610 BKMIFVZEJBFIIB-LBPRGKRZSA-N 438.709 4.267 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(-c3nc(CCNC(=O)OC(C)(C)C)no3)cc2[N+](=O)[O-])C1 761583945 XIMSRHYOOHQSOI-GASCZTMLSA-N 445.520 4.194 5 20 IIBD CC(C)(C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccc([N+](=O)[O-])cc1F 762446354 JCPILUGVLXZGNR-UHFFFAOYSA-N 447.422 4.451 5 20 IIBD O=C(Nc1ccc(CC[C@@H](O)c2ccccc2)cc1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 763012112 LGZGDEFWNVVMCD-HSZRJFAPSA-N 443.463 4.094 5 20 IIBD C[C@H](C(=O)OCc1nc(-c2cc(Br)cs2)no1)c1cccc([N+](=O)[O-])c1 763403149 DCAUTIBVZYDGJE-VIFPVBQESA-N 438.259 4.316 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 764569171 RFAPUQKVQNSPPW-JOCHJYFZSA-N 448.504 4.218 5 20 IIBD CCN(Cc1cccc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)c1)C(=O)C(F)(F)F 770072040 ZCUNVHRGHXHZCL-UHFFFAOYSA-N 431.317 4.036 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ccn(Cc3ccccc3)n2)cc1)c1cccc([N+](=O)[O-])c1 771941278 SLAWRQIEUCRHRZ-UHFFFAOYSA-N 442.431 4.311 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCN1C(=O)OC(C)(C)C 772376085 FXBLJFHFHGMGNQ-AEFFLSMTSA-N 434.537 4.005 5 20 IIBD O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)c1n[nH]c(C2CC2)c1Br 773446970 BHKVOBDPTVQUTF-UHFFFAOYSA-N 445.067 4.077 5 20 IIBD O=C(OCc1ccc(OCCC(F)(F)F)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 774568777 XPCPIXLMPLBOIS-UHFFFAOYSA-N 427.331 4.054 5 20 IIBD O=C(Nc1ccccc1)[C@H](Cc1ccccc1)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 777991233 DHWDRGSDPPZIKA-FQEVSTJZSA-N 439.418 4.053 5 20 IIBD Cn1cc([C@H](CO)NC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)cn1 778404721 UXBUPEIRMAFNSV-QFIPXVFZSA-N 425.488 4.130 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1c1c(F)cc([N+](=O)[O-])cc1F 779609804 YTWWVOCJGVCLSU-HXUWFJFHSA-N 428.439 4.313 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(Cl)c(Br)c1 781707105 WEJAXPSNXUBDAH-UHFFFAOYSA-N 428.626 4.490 5 20 IIBD CC(C)c1ccc(-c2nn(CN3CCC(n4ccc([N+](=O)[O-])n4)CC3)c(=S)o2)cc1 782861509 WHMJBGLKQMJLSB-UHFFFAOYSA-N 428.518 4.395 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N[C@@H]2CC(C)(C)c3ccccc32)cc1[N+](=O)[O-] 784750424 JVMANQREVNRUTG-MRXNPFEDSA-N 446.301 4.143 5 20 IIBD Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2Br)cc1C(=O)N(C)C(C)C 785713478 UEACISCYGODGQO-UHFFFAOYSA-N 434.290 4.398 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H](O)c2ccccc2)CC1 785822500 QINODSRVSPUDEN-IBGZPJMESA-N 433.302 4.252 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 785861160 CPYCACCBCUXNGO-UHFFFAOYSA-N 446.160 4.428 5 20 IIBD CC(C)Oc1cc(F)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 790939208 BMKAFQPGXLMVND-UHFFFAOYSA-N 434.239 4.051 5 20 IIBD CN(C)c1cc(F)c(C(=O)NCc2ccccc2COCc2ccccc2)cc1[N+](=O)[O-] 791210655 XPNBDAPXFRRZPN-UHFFFAOYSA-N 437.471 4.447 5 20 IIBD COc1ccc(C[C@H](C)CN(C)C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 793014235 LZATVUQLLOHRFN-INIZCTEOSA-N 441.528 4.177 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(N2CCc3sccc3C2)cc1 794860898 NLWOJLABVRPGQI-UHFFFAOYSA-N 445.522 4.028 5 20 IIBD O=C(Oc1ccccc1)N1CCCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC1 798286691 CCHCGWCHPFXJMI-UHFFFAOYSA-N 446.463 4.004 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1cc(C2CCCC2)nn1-c1ccccc1 800885508 CXLUCFUPBLZGPD-UHFFFAOYSA-N 430.468 4.427 5 20 IIBD Cc1cccc(-n2cc(O)c(C(=O)O[C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)n2)c1C 801418609 OQPCWRYGIVPJLM-AWEZNQCLSA-N 449.423 4.071 5 20 IIBD CCc1c(-c2ccc(Br)cc2)n[nH]c1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N 801892296 YCDLTDQGXXDMSD-UHFFFAOYSA-N 448.252 4.283 5 20 IIBD O=C(CCc1nnc(-c2ccccc2)o1)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811216836 PUJLMQUFLKYXNG-UHFFFAOYSA-N 436.449 4.444 5 20 IIBD Cc1nc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)ccc1-c1ccccc1 811833803 STTZKJYLSQXUEH-UHFFFAOYSA-N 442.453 4.291 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccc(N2CCCCC2=O)cc1 812388458 CVVAVPFNWIJVIW-CYBMUJFWSA-N 446.301 4.365 5 20 IIBD O=C(NCCCc1nc(-c2ccc(F)cc2)no1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813161194 ROYKNGSFYFEYKY-UHFFFAOYSA-N 439.230 4.453 5 20 IIBD CC(C)(C)Oc1ccc(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)nc1 814322527 CVKXIOAPUNHEKW-UHFFFAOYSA-N 434.290 4.128 5 20 IIBD CC(C)(C)OC(=O)NC1(c2noc(-c3cc(-c4ccc([N+](=O)[O-])cc4)[nH]n3)n2)CCCC1 904418535 QBVYMJNLRLTUFQ-UHFFFAOYSA-N 440.460 4.329 5 20 IIBD O=[N+]([O-])c1ccc(NC(=S)N2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)cc1 914601776 QFUAHNVYMCEGDQ-UHFFFAOYSA-N 440.447 4.008 5 20 IIBD CC1=C(C(=O)N(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1c1ccc(F)c(Cl)c1 916167677 AUVUBGDOOSECBG-GOSISDBHSA-N 448.907 4.185 5 20 IIBD COc1ccc(CNC(=O)COc2ccc(C3SCCCS3)cc2)cc1[N+](=O)[O-] 917846680 UNBJCSYVBFLIMK-UHFFFAOYSA-N 434.539 4.167 5 20 IIBD Cc1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C)n1Cc1cccs1 919220277 OTASUXDFGWQCGZ-UHFFFAOYSA-N 443.437 4.071 5 20 IIBD C[C@H](OC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(OC(F)(F)F)cc1 920511419 SZZFEQCUUVBZHT-JTQLQIEISA-N 446.765 4.181 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCO[C@H](c2ccc(Cl)s2)C1 1319382479 NCZPKSCFLUTLRV-LBPRGKRZSA-N 431.695 4.286 5 20 IIBD O=C(OCCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 1319565372 PQSZMQUCHUAOCZ-UHFFFAOYSA-N 449.394 4.075 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ccccc2N2CCCC2=O)cc1)c1cccc([N+](=O)[O-])c1 1337056569 GAHIALNATVEQBW-UHFFFAOYSA-N 445.431 4.193 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1)c1cnc2ccoc2c1 1785748837 KNWULNIUVQATBP-UHFFFAOYSA-N 446.419 4.391 5 20 IIBD Cc1ccc([C@H](C)C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2ccc(C)c([N+](=O)[O-])c2)C3)cc1 1801777619 DOBMFHIJDWCIGU-IITNATTFSA-N 449.551 4.196 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@@H]2CCCCN2C(=O)c2c(F)cccc2F)CC1 1829887040 VORPLWWKQVLMPU-KRWDZBQOSA-N 447.438 4.013 5 20 IIBD CC/C=C(\C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 1832697886 SBHLQFRKUBKOOA-KDRVJRGFSA-N 443.544 4.193 5 20 IIBD Cc1cc(C)c2c3c(sc2n1)C(=O)N[C@H](c1ccc(Br)c([N+](=O)[O-])c1)N3 15502562 SLYBVVFEFILEMC-OAHLLOKOSA-N 433.287 4.438 5 20 IIBD Cc1sc(NC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)nc1-c1ccccc1 21892824 DTKDTEHQUFMZOI-UHFFFAOYSA-N 447.476 4.133 5 20 IIBD CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nc2cc3ccccc3cc2c1=O 22178068 KNKGBIVPRXEZCG-UHFFFAOYSA-N 447.516 4.072 5 20 IIBD O=C(COC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1cccc(C(F)(F)F)c1 24275365 PXCPLBCCFUZXAV-UHFFFAOYSA-N 436.386 4.256 5 20 IIBD COc1cc(CN(C)C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)ccc1OC(F)F 25172014 VBSALUNVVJJWAG-GFCCVEGCSA-N 426.441 4.344 5 20 IIBD O=C(NCc1ccccc1)c1ccccc1OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 31843057 ACKGGXXOYVONAD-UHFFFAOYSA-N 430.420 4.154 5 20 IIBD C[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(OCc2cccnc2)cc1 32679112 KMENTHBQEWMGQA-KRWDZBQOSA-N 443.463 4.246 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)c([N+](=O)[O-])c1 63641024 FSUCQUFKOUKYFX-CZUORRHYSA-N 449.891 4.254 5 20 IIBD CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 69525043 GZXVDBIIAREVCK-UHFFFAOYSA-N 445.884 4.326 5 20 IIBD CCCNC(=O)c1cccc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 107541487 GTSOLRCWECZPAX-UHFFFAOYSA-N 438.406 4.194 5 20 IIBD CCCOc1ccc(C(F)(F)F)cc1NC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 218327927 SHYKVFBOJJXOCW-UHFFFAOYSA-N 439.390 4.079 5 20 IIBD Cc1ccc(Sc2ccc(CNC[C@H](C)CN3CCN(C)CC3)cc2[N+](=O)[O-])cc1 237407823 VUPVTKMFGRRTCG-IBGZPJMESA-N 428.602 4.028 5 20 IIBD O=C(c1cc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-])N1CCCC1 301188301 WPIJYPCJOCOSSI-JOCHJYFZSA-N 443.931 4.434 5 20 IIBD C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] 301294942 VFZBZHHQHOYWCQ-SECBINFHSA-N 437.827 4.112 5 20 IIBD C[C@H](Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])[C@@H](O)c1ccc(F)cc1 302515887 ACRSPMXXOWXMLO-LHSJRXKWSA-N 445.472 4.069 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2nc3c(s2)CCCCCC3)ccc1[N+](=O)[O-] 303157368 OUDXXIYTRJYHSW-SFHVURJKSA-N 442.541 4.262 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(I)c(Cl)c1 318306915 QAZVHLKFXWQGON-UHFFFAOYSA-N 430.629 4.125 5 20 IIBD CCNc1ccc(C(=O)Nc2ccc(F)cc2I)cc1[N+](=O)[O-] 321731199 SUIIWWOXCJSSJV-UHFFFAOYSA-N 429.189 4.023 5 20 IIBD CCCN([C@@H](C)CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 409900212 GJWXIGJLESBJAD-AWEZNQCLSA-N 439.921 4.066 5 20 IIBD C[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1cc2c(cc1Br)OCCO2 410088487 QBFLQSKIPQGWSU-SNVBAGLBSA-N 446.257 4.101 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N[C@H]2COc3cc(F)c(Br)cc32)cc1[N+](=O)[O-] 410189931 PEUHKYRAHAQAJB-BONVTDFDSA-N 438.253 4.299 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 426184817 AKEYSTDCVHYJDE-IAGOWNOFSA-N 445.344 4.221 5 20 IIBD Cn1cc([N+](=O)[O-])c(-c2nc(C3(c4ccc(Br)c(Cl)c4)CCC3)no2)n1 426611943 LRLOPKJJEPMYBZ-UHFFFAOYSA-N 438.669 4.264 5 20 IIBD CN1CCC(N(C[C@@H]2C[C@H]3C=C[C@H]2C3)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 426664830 HNKWREWSYIFSOE-ZJOUEHCJSA-N 441.575 4.430 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)N(C[C@@H]1CCCO1)c1ccc(Br)cc1 427599453 AXEXVDQDCPUWMP-INIZCTEOSA-N 435.274 4.192 5 20 IIBD CC[C@@H](C)Oc1ccc(NC(=O)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 427883714 RGWRXUZROVEOOI-GFCCVEGCSA-N 439.390 4.046 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H](Cc2ccccc2F)c2ccccc2)cc1 429436854 XEGFWSVPBKABPE-JOCHJYFZSA-N 428.485 4.081 5 20 IIBD O=C(Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)c1ccc(Br)cc1[N+](=O)[O-] 431337814 LDYZGBNCCMTOOA-ZDUSSCGKSA-N 438.253 4.340 5 20 IIBD CCCc1c(NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)cnn1-c1ccc(C)cc1 432548131 CHJBVSHKGDRPDX-UHFFFAOYSA-N 445.483 4.183 5 20 IIBD CC[C@H](C)c1ncc(NC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cn1 434517087 KVOPWKGBJZMNEX-YOEHRIQHSA-N 429.477 4.103 5 20 IIBD CNC(=O)c1cc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)ccc1Cl 436070606 ADMLQMNKQVGROP-UHFFFAOYSA-N 441.821 4.225 5 20 IIBD COc1ccc(C(=O)N2CCCC2)cc1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 436236444 FPGHHYRPPRYEDD-UHFFFAOYSA-N 441.487 4.178 5 20 IIBD NC(=O)c1cccc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)cn2)c1 437257376 NPULOOCCWIZVRY-UHFFFAOYSA-N 446.341 4.152 5 20 IIBD O=C(Nc1nnc(Cc2cccc(F)c2)s1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437358713 LYGUROLBTSWYDF-UHFFFAOYSA-N 426.351 4.447 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCCc2cn(C)c3cc(Cl)ccc23)cc1SC 440717360 OSCLIBNUBUOCGW-UHFFFAOYSA-N 433.917 4.443 5 20 IIBD C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 441085595 BVTMMSTZTKTVAL-VXGBXAGGSA-N 428.436 4.277 5 20 IIBD CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 441228317 JPDPNWWAQYDLEX-MRXNPFEDSA-N 449.454 4.313 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1nc(-c2ccccc2Br)no1 443398820 LALIBJQCGBWFCL-INIZCTEOSA-N 443.257 4.385 5 20 IIBD CC(C)(O)C1CN(C(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C1 444564611 AARYSEUXIQCJEG-LFIBNONCSA-N 437.521 4.365 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccc(Cn2cnc3ccccc32)cc1 444921550 NNHQMJXKZQTEGP-UHFFFAOYSA-N 431.452 4.323 5 20 IIBD Cc1ccc(Sc2ccc(-c3nc(CC(=O)NCC(C)C)no3)cc2[N+](=O)[O-])cc1 445440661 WKMHMMFFHCTXPE-UHFFFAOYSA-N 426.498 4.419 5 20 IIBD Cc1c(-c2nc(Cn3c(C(C)C)nc4ccccc43)no2)nnn1-c1cccc([N+](=O)[O-])c1 445655717 GOQOYQMUAGSFNO-UHFFFAOYSA-N 444.455 4.055 5 20 IIBD Cc1nc(C)c(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)s1 461010542 ZHHKHJPPZCSJSE-UHFFFAOYSA-N 442.463 4.220 5 20 IIBD Cc1ccsc1-c1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1C[C@H]1CCCCO1 461823096 GKFCMTVFBNSZME-LJQANCHMSA-N 439.541 4.355 5 20 IIBD Cc1ccc(-c2csc(NC(=O)CCCn3c(C)cc(=O)cc3C)n2)cc1[N+](=O)[O-] 463244933 XDPDGBTTYRUZDP-UHFFFAOYSA-N 426.498 4.224 5 20 IIBD COc1ccccc1O[C@@H](C)CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 464298896 WUPVJXRPQYGFIN-KRWDZBQOSA-N 427.501 4.037 5 20 IIBD O=C(N[C@H]1c2ccccc2CC12CCOCC2)c1sc(Br)cc1[N+](=O)[O-] 464715505 YJPJUDFXJAAHIF-INIZCTEOSA-N 437.315 4.243 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCCN2CC[C@@H](C)C2)cc1 465195323 NBQKXRXITZHKKI-SJORKVTESA-N 429.542 4.435 5 20 IIBD COc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 466970766 IBEJRZBJIVJZOA-UHFFFAOYSA-N 447.494 4.026 5 20 IIBD COc1cc(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 467720851 QJJMLIPOERHQOX-GUYCJALGSA-N 445.903 4.262 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(COC2CCCCC2)c1 468743398 LRVNSDALBKEZRG-LJQANCHMSA-N 429.521 4.315 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCCO)N1CCC(Cc2ccc(F)c(F)c2)CC1 470575744 ZQQCHHVCVSRLIY-UHFFFAOYSA-N 436.480 4.052 5 20 IIBD COC(=O)c1nc([C@@H]2CCCN2Cc2cc([N+](=O)[O-])ccc2OC(F)F)sc1C 475330917 GACYALKXZWZMNW-ZDUSSCGKSA-N 427.429 4.085 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C 475547023 MVNNTNHGXZJNDJ-UHFFFAOYSA-N 449.305 4.385 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1(c2noc([C@@H]3CCOC3)n2)CCCCCC1 475551085 QANPTWUFZLRRND-MRXNPFEDSA-N 443.504 4.470 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 475634608 KHTXMTNFJDBXTJ-CQSZACIVSA-N 431.880 4.143 5 20 IIBD COc1ccc(CN(CCc2ccccn2)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 478121376 KEODPNLSKQHLEV-UHFFFAOYSA-N 446.507 4.458 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC(c2nc3ccccc3s2)CC1 478979133 DVJZLJIJTSRNNS-UHFFFAOYSA-N 433.493 4.410 5 20 IIBD Cc1cc(CN(CC(C)C)C(=O)NCc2ccc([N+](=O)[O-])cc2)nc(N2CCCCC2)n1 480248625 HVBNEFSUJGEIGU-UHFFFAOYSA-N 440.548 4.051 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NCCc2csc(-c3ccccc3)n2)c([N+](=O)[O-])c1 481822902 ITSQRXWNEYVRRU-UHFFFAOYSA-N 433.493 4.337 5 20 IIBD O=C(Nc1nnc(SCc2ccccc2)s1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 481951147 GYLKERPXPCCAPL-UHFFFAOYSA-N 438.494 4.177 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)cc1SC 482074375 JOJFUEYROAPMAB-UHFFFAOYSA-N 444.296 4.001 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@H](C)c2nc(C3CCCCC3)no2)c(C)c([N+](=O)[O-])c1 486873173 KEOCLQWDKVEZNG-GFCCVEGCSA-N 431.449 4.003 5 20 IIBD C[C@@H]1CN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C[C@@H](c2cccc(C(F)(F)F)c2)O1 488713624 MLCSKAUXOHHXGV-XCLFUZPHSA-N 449.429 4.472 5 20 IIBD CCOc1ccc(C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)cc1[N+](=O)[O-] 491207931 MXQTWUOKIIDGAQ-AWEZNQCLSA-N 448.317 4.012 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 494508925 CNYBLRLQWVYDFT-CQSZACIVSA-N 442.859 4.102 5 20 IIBD O=C(Nc1cccc(-c2ccccc2)c1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 495480318 MSMQGGLUJBIHBQ-UHFFFAOYSA-N 436.493 4.313 5 20 IIBD CC[C@H](OC1CCCC1)C(=O)N(CCOC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 497549952 HUZFPPSCTIHVFY-IBGZPJMESA-N 433.530 4.436 5 20 IIBD O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1 498871845 AHLCQPGSMWDLFU-GOSISDBHSA-N 436.859 4.492 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cc(Br)ccc1F 500590095 ITYBAVZHAPVMKA-UHFFFAOYSA-N 431.283 4.096 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N1CCC[C@H](CO)C1 501774988 WBNDHVTZWCHCKJ-BOFQVRIASA-N 437.521 4.366 5 20 IIBD COCc1cc(CNC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)ccc1F 502330859 HMPMFBKQLHXYSZ-HOTGVXAUSA-N 429.492 4.293 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCN(C)Cc3ccccc32)cc1[N+](=O)[O-])c1ccccn1 504846777 RQBVICHVLBXXGY-KRWDZBQOSA-N 431.496 4.255 5 20 IIBD COC(=O)[C@@H]1CC12CCN(C(=O)c1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)CC2 505682033 MMVZOSDAYAEVOL-KRWDZBQOSA-N 444.871 4.456 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1cscc1Br)c1ccccc1[N+](=O)[O-] 505864311 KYFAXAGKQPVKHF-CQSZACIVSA-N 441.303 4.232 5 20 IIBD O=C(Nc1ccc(Cl)c(F)c1N1CCOCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 512905500 PGMICQILSNROPL-UHFFFAOYSA-N 447.772 4.495 5 20 IIBD CC(C)Oc1ccc([C@H](CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)N(C)C)cc1 512913632 WDAGSGURJFFEEY-QHCPKHFHSA-N 440.544 4.359 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 516049404 BUXWOVBFCZZCGZ-SECBINFHSA-N 449.307 4.448 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)NCc1nc(-c2ccc(-c3ccccc3)cc2)no1 521036593 PMNOJNIIOGYDEC-UHFFFAOYSA-N 429.436 4.311 5 20 IIBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H](c1ccccc1)c1ccc2ccccc2c1 521037212 HYBITBLDZYEWHC-RUZDIDTESA-N 439.471 4.384 5 20 IIBD COc1ccc(CCN(CC(C)C)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1OC 522346094 WPEWLTBGZZBSDI-UHFFFAOYSA-N 425.485 4.434 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)c1 524569108 OHMQJHZPOUYQBB-UHFFFAOYSA-N 441.181 4.057 5 20 IIBD O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)c1ccc([N+](=O)[O-])cc1F 525105536 YWXABVXUKQLSQR-UHFFFAOYSA-N 433.237 4.188 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(F)cc1I 534660815 LPCOKSQMEMYXGZ-UHFFFAOYSA-N 439.184 4.001 5 20 IIBD CC[C@@H](C)n1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c1C1CC1 534974222 KTGAHLFLDWZLBH-SNVBAGLBSA-N 443.323 4.203 5 20 IIBD CC(=O)c1cc([N+](=O)[O-])ccc1OCc1noc(Cc2ccc(Br)cc2)n1 535362595 GJWQWIRQJSIBGE-UHFFFAOYSA-N 432.230 4.113 5 20 IIBD CC(C)[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(C(F)(F)F)cc1 539325399 ISDCZJTZZRHQKB-LJQANCHMSA-N 439.390 4.268 5 20 IIBD COc1ccc([C@@H](C)NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1Br 540370135 IBIYLHKUZXYDJH-LLVKDONJSA-N 433.262 4.267 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)c1 540620365 QCOMXEHBZJEENI-MHECFPHRSA-N 442.512 4.114 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 540865568 SRMCOURCGFNEPR-GOSISDBHSA-N 440.548 4.277 5 20 IIBD CCc1ccc([C@@H](NCc2ccc(NS(C)(=O)=O)cc2)c2ccc([N+](=O)[O-])cc2)o1 542474394 HOMVAVXNEZDILB-NRFANRHFSA-N 429.498 4.001 5 20 IIBD COC(=O)C[C@@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)c(F)c1 542527132 QKMGQQGZWQTGIX-DYZYQPBXSA-N 426.803 4.051 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc(Cn3cncn3)cc2)no1 545596261 BAQDIQTVUZGWEV-GFCCVEGCSA-N 426.820 4.078 5 20 IIBD COc1cc(Cc2noc([C@H](C)c3c(C)nn(CC(F)(F)F)c3C)n2)ccc1[N+](=O)[O-] 545779605 KOVHFOWNHUDLKZ-SNVBAGLBSA-N 439.394 4.105 5 20 IIBD Cc1c(Cc2noc([C@H]3CCCN(c4ncnc5sccc45)C3)n2)cccc1[N+](=O)[O-] 545785531 YTBJURLKDZMYFD-HNNXBMFYSA-N 436.497 4.266 5 20 IIBD COc1ccc(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1OC(C)C 546161281 QWSGTZPPMSCSLX-UHFFFAOYSA-N 426.372 4.253 5 20 IIBD O=C(Nc1ccc(OC(F)F)cc1F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 549050626 YFARXWFQMDKXMV-UHFFFAOYSA-N 425.363 4.411 5 20 IIBD CC(=O)N1CCC(N(Cc2cncs2)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 549718913 HIDIJNQRHFCJCI-UHFFFAOYSA-N 442.463 4.083 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)c1ccc(OCC(F)(F)F)cc1 552849775 YVWPVFSDRPFSFD-OLZOCXBDSA-N 441.406 4.222 5 20 IIBD C[C@@H]1CN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)CCCO1 556065801 XUMHDQAFLKALHQ-AUUYWEPGSA-N 448.317 4.148 5 20 IIBD CNC(=O)c1cc(Oc2cccc(Oc3ncnc4sc([N+](=O)[O-])cc34)c2C)ccn1 557607724 XEZOTMNMSBJYTH-UHFFFAOYSA-N 437.437 4.247 5 20 IIBD CC[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(OC)c(OC)c1 558298065 BVLCBIFDMUDQLG-CYBMUJFWSA-N 425.388 4.486 5 20 IIBD O=c1c2cc(Br)cc(F)c2ncn1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F 558845315 RIFZJXGZZBVXSP-UHFFFAOYSA-N 446.154 4.273 5 20 IIBD Cc1noc(CNC(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)n1 560629815 NPHAWRUIJRDFCL-GDNBJRDFSA-N 435.465 4.143 5 20 IIBD COc1cc(Cc2noc(-c3cc(Cl)c4c(c3)OCCCO4)n2)c([N+](=O)[O-])c(OC)c1 571149882 DRUZAMYTTQXUID-UHFFFAOYSA-N 447.831 4.068 5 20 IIBD C[C@H](NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccc(OC(F)(F)F)cc1 572928111 JNFNKXLLQRGHIB-LBPRGKRZSA-N 425.363 4.159 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCc1cc(-c2ccccc2)no1 603854390 IGRHHTWLNGXPJC-UHFFFAOYSA-N 442.497 4.037 5 20 IIBD O=C(COc1ccc(Cl)cc1[N+](=O)[O-])NCc1cccc(COCc2ccco2)c1 603904657 LCGBJCRYNJDUNJ-UHFFFAOYSA-N 430.844 4.253 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 608877550 KIIAVZJYHJCGAV-LBPRGKRZSA-N 444.900 4.053 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CN(C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 609040664 CWGWXYWVJCXEJI-UHFFFAOYSA-N 441.509 4.036 5 20 IIBD Cc1ccc(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1NC(=O)C(C)(C)C 609555804 NGRSEBGBZUXZKI-UHFFFAOYSA-N 439.516 4.242 5 20 IIBD Cc1ccc(-c2csc(Cc3noc([C@@H](C)NC(=O)c4cccc([N+](=O)[O-])c4)n3)n2)cc1 609722005 RGZBLSZACPGGDA-CQSZACIVSA-N 449.492 4.492 5 20 IIBD Cc1cc(C)c(-c2csc(NC(=O)Cn3cc([N+](=O)[O-])cc(Cl)c3=O)n2)c(C)c1 609905396 IXZCKYFKKSWPEA-UHFFFAOYSA-N 432.889 4.097 5 20 IIBD CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H](C)c1ccccc1 609958488 WZRAVASSPYISNU-DOTOQJQBSA-N 446.935 4.068 5 20 IIBD COc1cc(C(=O)Nc2nc(-c3ccc(O)cc3)cs2)c([N+](=O)[O-])cc1OC(F)F 610340751 ZIPZIRMSSWQGGY-UHFFFAOYSA-N 437.380 4.286 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCCC[C@H]1/C=C/c1cccs1 611957738 ZAUOJXVDAWZLBJ-BJICUUOASA-N 427.526 4.259 5 20 IIBD COC(=O)c1ccc(OCC(=O)c2cc(C)n(Cc3cccs3)c2C)cc1[N+](=O)[O-] 613110671 SUJRSGVTKFDBGR-UHFFFAOYSA-N 428.466 4.171 5 20 IIBD Cc1sc(S(=O)(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] 613469717 PCWNOFCNQIFZCG-YUMQZZPRSA-N 440.387 4.153 5 20 IIBD C[C@H](NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cc(F)ccc1N1CCN(C)CC1 726277828 FJTXVQXGAGBMPB-ZDUSSCGKSA-N 435.887 4.022 5 20 IIBD O=C(N[C@H]1C[C@H]1c1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1Br 726517560 AAXUPXLAFWXZNP-WFASDCNBSA-N 440.091 4.406 5 20 IIBD O=C(CN1CCCCCCC1)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2F)cc1 727323969 FTFGBQZMPXGQFX-UHFFFAOYSA-N 428.464 4.191 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 727385005 WASXRFVFRVXEJM-VQIMIIECSA-N 434.537 4.081 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc3c(C)cc(C)nc3s2)c([N+](=O)[O-])c1 729680204 XHIIYAXEWVAUSI-GFCCVEGCSA-N 429.454 4.014 5 20 IIBD O=[N+]([O-])c1ccc2c(cnn2CN2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)c1 730257306 YBDPXUAEZCAGGR-SFHVURJKSA-N 425.247 4.421 5 20 IIBD CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2cc([N+](=O)[O-])c(F)cc2F)NC(=S)N1C 731430017 FSFORXXQBOMLRF-LJQANCHMSA-N 446.479 4.264 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(Br)cn3)CC2)c(C(F)(F)F)c1 732667315 ONEDFAONALDVLM-UHFFFAOYSA-N 445.239 4.093 5 20 IIBD CC(C)(C)OC(=O)N1CCC(Nc2ccccc2)(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 733123493 OGNFYKPJQYSNKQ-UHFFFAOYSA-N 440.500 4.415 5 20 IIBD O=C(C[C@H]1OCCc2ccccc21)OCCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 734709569 ZVEIAKCLXROXQM-GOSISDBHSA-N 425.359 4.240 5 20 IIBD Cc1cccc(NC(=O)[C@@H](OC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)C(C)C)c1C 735353084 VWUZIBFFUFTRIY-NRFANRHFSA-N 437.452 4.286 5 20 IIBD O=C(COC(=O)c1ccccc1OC1CCC1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 735733139 OCTLIBLTRGMFEF-UHFFFAOYSA-N 438.358 4.340 5 20 IIBD COc1ccc([C@H]2[C@@H](COC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CCC(=O)N2C)cc1 735786412 XKPLBQGVRKUXHE-QRQCRPRQSA-N 438.436 4.116 5 20 IIBD C[C@H](OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(=O)Nc1cccc(Br)c1 736864439 UHBZGXMPYRBWSU-VIFPVBQESA-N 427.638 4.195 5 20 IIBD COC(=O)Nc1ccc(CCNCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)cc1 738435662 IMXLZTWMTVWGJT-UHFFFAOYSA-N 425.441 4.374 5 20 IIBD O=C(CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)NCCCN1C(=O)CCC1=O 742251730 YDVMXUJFGCFFEB-UHFFFAOYSA-N 440.499 4.202 5 20 IIBD C[C@@H]1C[C@H](c2cccc(F)c2)N(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 742321535 MNLNGFGTDUHEAW-PIGZYNQJSA-N 443.294 4.268 5 20 IIBD C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CCN1Cc1ccccc1 742962624 NPAUDROANQGNAN-HXUWFJFHSA-N 436.556 4.322 5 20 IIBD CC(C)c1cc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)no1 743221309 SJDSKYDZWVRPTB-UHFFFAOYSA-N 427.383 4.079 5 20 IIBD CO[C@@H](C)CC(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 744282587 BTGOANVMDWXMSR-JTQLQIEISA-N 427.240 4.484 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2cc(C3CC3)n(C)n2)c2ccccc2)c([N+](=O)[O-])c1 745266019 YPGVJSJNROXBMM-NRFANRHFSA-N 434.452 4.051 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 746840209 IDEZAXHBICBZEN-LBPRGKRZSA-N 445.438 4.379 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)cc2)C[C@@H](C)O1 747397686 NAEFXBJYJKIWKB-HDICACEKSA-N 438.528 4.451 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)OCCc2c(F)cccc2Cl)cc1[N+](=O)[O-] 747672822 JDWCJVKRYMWBKG-UHFFFAOYSA-N 436.852 4.067 5 20 IIBD C[C@@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N1CCCc2ccccc21 747963064 WYMSVIYCVUOYOB-CQSZACIVSA-N 437.477 4.243 5 20 IIBD Cc1ccc(Br)cc1NC(=O)CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 748670009 RZKSRPBLXRTDFL-UHFFFAOYSA-N 440.681 4.078 5 20 IIBD COCCONC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 748768215 VTQAPEZPKAUHRA-SAPNQHFASA-N 433.464 4.328 5 20 IIBD Cc1ccc(N(C)[C@H]2CCCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)C2)cc1 753049825 ZPRPDXKGHMJPHT-QFIPXVFZSA-N 436.556 4.247 5 20 IIBD COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c(Br)c1 753083095 MWIYKXMWTPQCGY-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[C@@]2(CCc3ccccc3O2)C1 753088943 STZYVGYGYIWZDR-IBGZPJMESA-N 435.249 4.106 5 20 IIBD COc1ccc(-c2nc(COC(=O)c3ccc([N+](=O)[O-])cc3OC)cs2)c(OC)c1 755671054 BQYIMGFDIDXSOD-UHFFFAOYSA-N 430.438 4.101 5 20 IIBD COCCN(Cc1cc(Br)cs1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 756771899 IMEZDEIUMGKIQZ-UHFFFAOYSA-N 433.711 4.361 5 20 IIBD C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(NC(=O)NC2CC2)cc1 756967179 JZUNSWKLOIACEJ-GFCCVEGCSA-N 431.880 4.093 5 20 IIBD Cc1cc(S(=O)(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc([N+](=O)[O-])c1F 757925546 LAIDVEMODYSDQI-UHFFFAOYSA-N 444.444 4.487 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])ccc1I)c1cccc2ncccc12 760640702 RCZTYGVIZHLPQU-UHFFFAOYSA-N 433.205 4.024 5 20 IIBD O=[N+]([O-])c1ccc(OCc2nc(Cc3ccc(OCc4ccccn4)cc3)no2)cc1F 761668331 ZIVYKUIWYVCWOS-UHFFFAOYSA-N 436.399 4.261 5 20 IIBD CN1CC[C@H](CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 762724958 DWXHYEOQOVXOGW-FZKQIMNGSA-N 426.275 4.464 5 20 IIBD C[C@@H](C(=O)OCC(=O)Nc1ccc(Br)cc1Cl)c1cccc([N+](=O)[O-])c1 763406560 XYPKYZORLWULFT-SNVBAGLBSA-N 441.665 4.296 5 20 IIBD C[C@H](c1ccccn1)N(C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1ccc(N(C)C)cc1 766603868 JUVMFMNVMBBFBA-MRXNPFEDSA-N 448.479 4.235 5 20 IIBD Cc1cc(-c2noc(COC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)ccc1F 767311362 JKHMRBZWPKKFNH-NSHDSACASA-N 435.795 4.256 5 20 IIBD CC(=O)[C@H](Cc1ccc(F)c(F)c1F)OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 768790009 GAHFVPVPUWVBJA-AWEZNQCLSA-N 435.276 4.388 5 20 IIBD COc1cccc(C(=O)OCc2ncc(-c3cccc(Br)c3)o2)c1[N+](=O)[O-] 769607273 ZESYADZVUSXJHL-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD Cc1nn(CN2[C@H]3CCC[C@H]2CC(NC(=O)OC(C)(C)C)C3)c2ccc([N+](=O)[O-])cc12 769628312 TUMHEHJTTATLGV-IRXDYDNUSA-N 429.521 4.121 5 20 IIBD COc1cc(CN(C)C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c(SC)cc1OC 778008941 DMAJQYHYSRZHML-UHFFFAOYSA-N 426.441 4.084 5 20 IIBD CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)OC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 778170820 YQJQSNDGIQTJPV-LBPRGKRZSA-N 446.362 4.206 5 20 IIBD Cc1onc(-c2ccccc2)c1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 778607238 YRLBQQVSDOLKKK-GFCCVEGCSA-N 429.816 4.396 5 20 IIBD CN(Cc1ncc(Cl)n1C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 778987196 QFPQIBNTITVSBL-LJQANCHMSA-N 448.310 4.447 5 20 IIBD CC[C@@H]1CCCCN1C(=O)[C@H](C)OC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781256948 HXDRUBCABQNLLD-XJKSGUPXSA-N 442.462 4.296 5 20 IIBD O=C(Nc1ccc(OC2COC2)cc1)c1cc(Br)cc([N+](=O)[O-])c1Cl 781748067 WNHQJRAKJBKIQL-UHFFFAOYSA-N 427.638 4.041 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)Cc1csc(NC(=O)c2ccoc2C)n1 782360957 GKYYAVTZADVUKT-CYBMUJFWSA-N 429.454 4.360 5 20 IIBD CN(C)C(=O)c1cccc(COC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 787246343 IHJAGGPXCVWCCU-UHFFFAOYSA-N 434.448 4.233 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC(COc2ccc(Cl)nc2)CC1 789037197 JXOGACRNRZSCLO-UHFFFAOYSA-N 446.935 4.467 5 20 IIBD CCOc1c(Br)cc(C(=O)OCc2ncc(C)c([N+](=O)[O-])c2C)cc1OC 789444257 LDBYNWIYOVISJF-UHFFFAOYSA-N 439.262 4.133 5 20 IIBD CCOc1cc(NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)c([N+](=O)[O-])cc1OCC 790627228 GZWAKQODJVBNJY-IBGZPJMESA-N 439.468 4.295 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Oc1cccc(Oc2cnccn2)c1 793313554 XLYWAFJGYIUQCO-UHFFFAOYSA-N 430.214 4.467 5 20 IIBD CN(Cc1ccc(Br)s1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F 798225041 QQQUMHGPRFIJMN-UHFFFAOYSA-N 443.703 4.032 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccccc1[C@H](O)c1ccccn1 798262387 ILHOFIRNRUYIDU-FQEVSTJZSA-N 429.885 4.456 5 20 IIBD CC(C)CCSc1ccc(C(=O)Oc2ccccc2CS(C)(=O)=O)cc1[N+](=O)[O-] 803079478 OEAHZTXZKFRWSZ-UHFFFAOYSA-N 437.539 4.497 5 20 IIBD CCn1c(SCC(=O)OCc2c(F)cc([N+](=O)[O-])cc2F)nnc1-c1cccs1 803217137 UJLQKSUDDZBEMG-UHFFFAOYSA-N 440.453 4.048 5 20 IIBD COc1cncc(CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 808243540 BZVVJUBPBBFDKL-UHFFFAOYSA-N 433.873 4.047 5 20 IIBD CC(C)[C@@H](CNC(=O)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2)c1ccc(Cl)cc1 808978704 ADKALJQYDDSQDM-CQSZACIVSA-N 449.847 4.097 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 813799378 KXXXLRFEVUIQNY-KRWDZBQOSA-N 432.521 4.058 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc(CN2CCCCC2=O)cc1 815190346 ZDGFEEHGNDXBHV-UHFFFAOYSA-N 436.386 4.483 5 20 IIBD C[C@H](c1ccc(F)cc1)N1CC[C@@H](OC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O 815213401 FLPRWMXFBJIENR-PIGZYNQJSA-N 440.349 4.272 5 20 IIBD C[C@H](C(=O)O[C@H]1C[C@@H](OC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1)c1cccc([N+](=O)[O-])c1 816098177 FRIMTGTZEMZCPH-WZBLMQSHSA-N 442.424 4.028 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CC[C@H](Sc2cccc(Cl)c2)C1 817058237 KWTYLJJFQPOBGQ-SFHVURJKSA-N 447.944 4.092 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(-c3csnn3)cc2)c1Cl 821163063 DCYMJQYJEUEJPR-UHFFFAOYSA-N 431.282 4.221 5 20 IIBD O=C(Oc1ccccc1C(=O)NCc1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 896097713 LHECSMWNCAMNKC-UHFFFAOYSA-N 445.475 4.344 5 20 IIBD Cc1c([C@@H](C)NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cnn1-c1ccc(F)cc1 914528674 KMTMKGSJNZGYFI-LLVKDONJSA-N 447.264 4.482 5 20 IIBD Cc1ccc(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] 916690180 LFNPQZDADSNUJB-SFHVURJKSA-N 441.440 4.053 5 20 IIBD CCOC(=O)N[C@@H]1CCCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 917189246 BKBKZBWVRCQLDC-QGZVFWFLSA-N 443.525 4.405 5 20 IIBD Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 917720769 MINBHOJQIWRFPO-UHFFFAOYSA-N 440.456 4.435 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)c1ccccc1SCC(=O)N1CCCC1 918539189 WIFKQQXVLMFCJG-UHFFFAOYSA-N 444.509 4.065 5 20 IIBD C[C@@H](NC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc([N+](=O)[O-])c1 918631446 QXEYLFJLXHGKKJ-MRXNPFEDSA-N 445.475 4.311 5 20 IIBD Cc1cc(C(=O)OCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)cc([N+](=O)[O-])c1 920902375 GZCKLZOMXTYDAS-FQEVSTJZSA-N 428.441 4.166 5 20 IIBD COc1ccc(Br)cc1NC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 1115865259 DJMZULUIOQJBPW-UHFFFAOYSA-N 441.303 4.246 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(-n3cccc3)ccc2F)c(C(F)(F)F)c1 1116334089 VGFILMYYULRGCF-UHFFFAOYSA-N 429.351 4.344 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 1117726493 BODSEQHLWXKEJB-DIMPSALBSA-N 436.556 4.489 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCCC[C@]32c2ccccc2)cc1OC 1319367217 CBWRFLXOWJEZAF-KOSHJBKYSA-N 440.496 4.170 5 20 IIBD COC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 1321213136 JVTZQHLNTCUNFN-ZBFHGGJFSA-N 434.901 4.471 5 20 IIBD CCN1C(=S)N[C@@H](c2csc(C(C)C)n2)C(C(=O)Nc2cccc([N+](=O)[O-])c2)=C1C 1338741103 BRQAPBDFFBGDLH-KRWDZBQOSA-N 445.570 4.339 5 20 IIBD Cc1cc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)ccc1N1CCCC1=O 1339344596 JFBFOLKJTSHACE-UHFFFAOYSA-N 436.390 4.371 5 20 IIBD O=C(CCC1CCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1cccc([N+](=O)[O-])c1 1793940085 BSAXZUGLMWCVIW-WKCHPHFGSA-N 427.545 4.136 5 20 IIBD Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C3)c1Cl 1803622915 ODNHDJYRSCWLMQ-BJWYYQGGSA-N 445.878 4.261 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)C2CCCC2)CC1 1826256162 ROUUYVLHVQBVHW-OAQYLSRUSA-N 445.535 4.466 5 20 IIBD Cc1ccc(C(=O)N2CCCC23CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)C3)c(C)c1 1844892666 JTGDFIHLFVGBCD-UHFFFAOYSA-N 441.915 4.304 5 20 IIBD O=C([C@@H]1CCC[C@@H]2CCCC[C@H]21)N1CC2(CCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])C1 1845405544 BPEDMBQKLHMGND-RCCFBDPRSA-N 443.519 4.157 5 20 IIBD CC(C)Cn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccco1 9567221 ZOGIEPXPHURBQQ-UHFFFAOYSA-N 435.893 4.487 5 20 IIBD C[C@@H](OC(=O)COc1ccc2ccccc2c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 10592046 NNCCPPUUEKYGLA-CYBMUJFWSA-N 428.828 4.351 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1 16196912 ORVUXJAREVQEKE-UHFFFAOYSA-N 430.482 4.341 5 20 IIBD Cc1cc(C(=O)COC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c(C)s1 17159779 BXNLXDIFMMODRB-UHFFFAOYSA-N 427.482 4.174 5 20 IIBD CCOc1cc(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OC 19472731 GXSLOENBOPILMX-UHFFFAOYSA-N 428.224 4.349 5 20 IIBD Cc1ccc(NC(=O)COC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c(F)c1 23642748 MHCMMOIKPOPHHW-UHFFFAOYSA-N 437.427 4.450 5 20 IIBD CCC[C@H](C)NC(=O)[C@H](C)OC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 23968945 VCASJGOAHIUHQT-AAEUAGOBSA-N 437.543 4.361 5 20 IIBD COc1ccc([C@H]2CCCN2C(=O)CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1OC 25022766 ZTFQPTSDOMCHGG-LJQANCHMSA-N 447.919 4.061 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)cccc1[N+](=O)[O-] 27038334 MFPSQAPNPNLNTE-CQSZACIVSA-N 443.456 4.434 5 20 IIBD CC(=O)c1ccc(Sc2nc3ccccc3c(=O)n2-c2cc(C)ccn2)c([N+](=O)[O-])c1 29072452 YGSBALNQOCSRTF-UHFFFAOYSA-N 432.461 4.351 5 20 IIBD Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NCCNc1ccccc1[N+](=O)[O-] 59289916 WPWMUJQZKIWQAI-UHFFFAOYSA-N 442.472 4.198 5 20 IIBD CN(CCCc1nc2ccccc2[nH]1)C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 64444418 NBVMBONZGNWXCJ-UHFFFAOYSA-N 449.433 4.383 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@H]2CCC(C)(C)c3ccccc32)ccc1[N+](=O)[O-] 72080495 WCFRDRAEMKTHSP-RBBKRZOGSA-N 435.524 4.437 5 20 IIBD COc1ccc(OC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)c([N+](=O)[O-])c1 105688241 QVKVNPYGYVUYSR-SECBINFHSA-N 430.638 4.392 5 20 IIBD C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccc(F)cc2)cc1 108423923 GONAZXVBDOAKNL-HNNXBMFYSA-N 437.427 4.242 5 20 IIBD COc1cc(CNCc2cn3c(C)cccc3n2)ccc1OCc1ccc([N+](=O)[O-])cc1 237292542 FTVOYDOEPDLPDD-UHFFFAOYSA-N 432.480 4.428 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NC[C@@H](O)c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 301283122 UQOJVIPRXTYQIS-QGZVFWFLSA-N 435.267 4.012 5 20 IIBD O=C(Nc1ccc(CN2CCOCC2)cc1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 303394431 QGCGGVWSSOQXNA-UHFFFAOYSA-N 433.464 4.472 5 20 IIBD Cc1ccc([C@@H]2CCCCCN2C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)o1 303741790 IQBGDTPCFXVNQA-KRWDZBQOSA-N 427.457 4.328 5 20 IIBD COc1ccc(-c2ccc(CN[C@@H](CC(=O)O)c3ccc(F)cc3F)o2)c([N+](=O)[O-])c1 426811613 UNHVAQJPSYSUHU-SFHVURJKSA-N 432.379 4.447 5 20 IIBD O=C(O)[C@H](Cc1ccc(OC(F)F)cc1)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 426816839 QXMCFFPYGLPLQJ-KRWDZBQOSA-N 432.379 4.242 5 20 IIBD Cc1cccc(C(=O)N2CCCC2)c1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 432412269 GANJSIJXDHZZMM-UHFFFAOYSA-N 432.274 4.154 5 20 IIBD COc1ccccc1CC(=O)N1CCC(N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 433157595 GUKKAHRIRYLOMJ-QFIPXVFZSA-N 437.540 4.149 5 20 IIBD O=C1CSc2ccc(NC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)cc2N1 435835811 NVTSLRVBHDTQGG-UHFFFAOYSA-N 437.427 4.256 5 20 IIBD O=C(NCCc1ccc(-n2cccn2)cc1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 435935353 KVYIWGKLWLTAPD-UHFFFAOYSA-N 444.441 4.118 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1I 437273093 FSLBRLLWKIRXNX-DZGCQCFKSA-N 442.640 4.139 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 438645031 BVTAABMXSABJII-UHFFFAOYSA-N 443.475 4.431 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)c1 442351006 PADOMAUGIGGCIA-UHFFFAOYSA-N 428.904 4.052 5 20 IIBD CC(C)(c1noc(CN2C(=O)COc3ccc([N+](=O)[O-])cc32)n1)c1ccc(Cl)cc1F 445586520 BTZVMJRQFBOJDG-UHFFFAOYSA-N 446.822 4.022 5 20 IIBD COc1ccc(C(C)(C)c2noc(CCCNc3ccc([N+](=O)[O-])cc3)n2)cc1OC 445689215 HXRNKTWQVNTJNM-UHFFFAOYSA-N 426.473 4.366 5 20 IIBD COc1ccc2c(c1)CCCN2C(=O)CSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 447028199 NICUIKNDPNXBFB-UHFFFAOYSA-N 439.493 4.471 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCc1ccc(COC2CCOCC2)cc1 447808950 ZGYBUMOHOPTFGX-UHFFFAOYSA-N 434.876 4.343 5 20 IIBD Cc1noc(-c2ccc(C(F)(F)F)cc2NC(=O)CN(C)c2ccccc2[N+](=O)[O-])n1 448456610 KWZUNVQKTBSPPY-UHFFFAOYSA-N 435.362 4.047 5 20 IIBD Cc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1NC(=O)Cn1ccc([N+](=O)[O-])n1 460340187 RKEKCDBTVNYZFC-UHFFFAOYSA-N 436.447 4.475 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])NCc1ccc(Oc2ccccc2C(F)(F)F)nc1 460461085 PCFOBPTXRVUWSC-UHFFFAOYSA-N 447.369 4.496 5 20 IIBD COc1ccc(CCc2nnc(N3CCc4ccc([N+](=O)[O-])cc4C3)n2CC(C)C)cc1 460850543 FVIMCSCSXVDMQG-UHFFFAOYSA-N 435.528 4.199 5 20 IIBD Cc1ccsc1-c1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1C[C@@H]1CCOC1 461705753 JJUXTFCHMNQLRO-KRWDZBQOSA-N 439.541 4.429 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(c1nnc(CC3CCCC3)n1C[C@H]1CCCCO1)CC2 461822210 ZUOWLZKLUJCSPA-OAQYLSRUSA-N 425.533 4.051 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCN(Cc2cccc(Cl)c2)CC1 463469160 IVFFYIJHUMDUJP-UHFFFAOYSA-N 427.810 4.225 5 20 IIBD COc1cc([C@@H](C)NC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)ccc1OCC(C)C 464011764 JYZKZXJGGPDCOY-MRXNPFEDSA-N 443.500 4.071 5 20 IIBD Cn1c(-c2ccc(NC(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)cc2)nc2ccccc21 465125471 BQWHHFPLLULDNV-UHFFFAOYSA-N 444.447 4.101 5 20 IIBD COc1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)ccc1OCc1cscn1 466286840 HQYZHTPAGNJQGM-UHFFFAOYSA-N 433.873 4.222 5 20 IIBD CC(C)(C)C(=O)NCCNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 466436053 DANLCQIKHSDBPD-UHFFFAOYSA-N 435.933 4.292 5 20 IIBD COc1cc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)ccc1OC(C)C 467656997 BLEUFKGKDOLIRF-UHFFFAOYSA-N 429.473 4.466 5 20 IIBD COc1ccc(CSCC(=O)NCc2cccc(C)c2Br)cc1[N+](=O)[O-] 469862325 NBXZTCVFFGTIGS-UHFFFAOYSA-N 439.331 4.224 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1sc2c(c1C(=O)c1cccnc1)CCC2 470042851 ONRYAICZJBVZQF-UHFFFAOYSA-N 425.441 4.091 5 20 IIBD C[C@H](CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 470239655 MUUVWISFWAASKO-CYBMUJFWSA-N 433.390 4.118 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](OCc3ccccc3)C2(C)C)cc1OC 471704897 HIQLJSQHBPYOJO-SFTDATJTSA-N 428.485 4.116 5 20 IIBD Cc1cc(C)n(-c2ccccc2CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])n1 472228267 FJFZDLYENSGUDO-UHFFFAOYSA-N 429.274 4.090 5 20 IIBD CC(C)(C)S(=O)(=O)Cc1ccc(Nc2ncc(Br)cc2[N+](=O)[O-])cc1 474777269 ZKQMIUBADZLKDT-UHFFFAOYSA-N 428.308 4.209 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 475571416 MIVZRWVSYDOTPA-KRWDZBQOSA-N 439.516 4.351 5 20 IIBD O=C(Nc1cccc(-n2cc(C(F)(F)F)cn2)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 478654884 WOVQGVPRLIRGKK-UHFFFAOYSA-N 442.357 4.237 5 20 IIBD COc1cc(C(=O)N[C@](C)(C2CC2)C(F)(F)F)c([N+](=O)[O-])cc1OCc1cscn1 482673397 SAKKHNDFKYEWFT-QGZVFWFLSA-N 445.419 4.100 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1c[nH]nc1-c1cccc(OC(F)F)c1 482939359 KTFJNQSIBDKKSK-UHFFFAOYSA-N 436.802 4.212 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 483639473 YSEKTGOIBRNJEO-UHFFFAOYSA-N 447.944 4.349 5 20 IIBD C[C@H](Nc1ccc(C(=O)N(C)c2cnc3ccccc3n2)cc1[N+](=O)[O-])c1ccccn1 484876232 PYYVYWBCQVIFAA-HNNXBMFYSA-N 428.452 4.383 5 20 IIBD COC(=O)c1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)c(C)c([N+](=O)[O-])c1 485982529 SUJWJFBBOBGFLZ-HUUCEWRRSA-N 433.258 4.195 5 20 IIBD O=C(N[C@@H]1CSc2ccc(Br)cc21)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 487695820 XSSMBHMFGOLNBZ-MRXNPFEDSA-N 445.298 4.120 5 20 IIBD CN(CCC1CCN(c2ccncc2)CC1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 488386178 QVIBNEIXBHPIFE-UHFFFAOYSA-N 445.951 4.134 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)c([N+](=O)[O-])c1 490032298 KNLWPCAGVGYZBO-CABCVRRESA-N 444.557 4.145 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 490565500 NEXSTJKJJDQTDG-OAHLLOKOSA-N 445.541 4.441 5 20 IIBD CC(C)(C)C(=O)NC[C@H]1CCCN(c2c([N+](=O)[O-])cnc3ccc(Br)cc23)C1 496915428 DXKPECJIDLLOPB-CYBMUJFWSA-N 449.349 4.284 5 20 IIBD CN(Cc1ccco1)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 498139866 FRBSUGWDMZMZNZ-UHFFFAOYSA-N 430.464 4.298 5 20 IIBD COC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 500746906 AIQZBFMICNPHGP-UHFFFAOYSA-N 442.859 4.149 5 20 IIBD CS(=O)(=O)c1cccc(N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)c1[N+](=O)[O-] 502780857 MMDJSASXOIPIMW-SFHVURJKSA-N 431.901 4.443 5 20 IIBD C[C@H](CCOCc1ccccc1)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 503546949 OZBRNFZXRITZIC-CQSZACIVSA-N 425.407 4.408 5 20 IIBD C[C@@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)[C@@H](c1ccccc1)N(C)C 505590616 IERHHYVVPBSEIW-FATZIPQQSA-N 435.474 4.381 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(Sc3nnc(-c4ccncc4)n3-c3ccccc3)cc2N1 506870870 AHFBUHHEOJUBDP-UHFFFAOYSA-N 444.476 4.273 5 20 IIBD O=C(NCCCc1c[nH]c2ccc(F)cc12)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 508629474 NSCOBVSBGNJACN-UHFFFAOYSA-N 440.475 4.401 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CCC2(CCCC2)CC1 512776110 IRAUYNWLVNJIJH-UHFFFAOYSA-N 428.270 4.304 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@@H]3CCCc4nn(C)cc43)cc2[N+](=O)[O-])n1 512835291 STOPNYQKMHPWDA-CQSZACIVSA-N 429.527 4.052 5 20 IIBD CCn1c(SCCn2cc([N+](=O)[O-])ccc2=O)nnc1-c1ccc(C(C)(C)C)cc1 513290910 GDDUDGLELJVFFI-UHFFFAOYSA-N 427.530 4.125 5 20 IIBD C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 514227542 REVSAXOWGMGFQL-APPDUMDISA-N 426.803 4.452 5 20 IIBD COc1ccccc1[C@@H](CNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-])N1CCCCC1 515554879 GHTPAFYLEACZNC-JOCHJYFZSA-N 440.544 4.381 5 20 IIBD CCCCc1c(C)nc2nc(S[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)nn2c1C 515565259 FIIFFCZONMXYKB-HNNXBMFYSA-N 442.545 4.420 5 20 IIBD Cc1cc(CN(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc(C)c1OCC(F)(F)F 515756762 CMYXRZKJPOROMM-UHFFFAOYSA-N 446.447 4.115 5 20 IIBD O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1nc(C2CC2)n(-c2ccccc2Cl)n1 518816585 GXBDAHDPSDRIFR-UHFFFAOYSA-N 449.858 4.144 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 519194736 LEWZRWCMOCPOGF-UHFFFAOYSA-N 443.935 4.001 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2cccc(CN3CCOCC3)c2)no1 521046843 STIBYQVCYWXOET-AWEZNQCLSA-N 444.875 4.270 5 20 IIBD C[C@@H](NC(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1cccc([N+](=O)[O-])c1 522048830 CNGXKQIKERNEBL-RDTXWAMCSA-N 434.899 4.412 5 20 IIBD COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 525430424 CUHWLKQUECJGBY-MRXNPFEDSA-N 433.302 4.142 5 20 IIBD O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 531263278 ZPXIJFHAKKMWBQ-UHFFFAOYSA-N 433.867 4.197 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]1c1cccc(Br)c1 532473930 CEDPOTZTFTZBEE-KRWDZBQOSA-N 434.290 4.142 5 20 IIBD Cc1cc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)n([C@@H]2CCN(Cc3ccccc3)C2)n1 532527691 RIULNTTXQQNROF-LJQANCHMSA-N 444.495 4.280 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1ccc(C(=O)NCc2ccccc2F)cc1 535492000 RQPCYCOWUDSCBP-UHFFFAOYSA-N 436.443 4.028 5 20 IIBD O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 538050178 HXCXBTHZAWRTCA-FXAWDEMLSA-N 433.867 4.248 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(C(=O)c2ccccc2)CC1 538249949 MSFPZENYBLUGOA-UHFFFAOYSA-N 427.526 4.084 5 20 IIBD COc1ccccc1-c1noc([C@H](C)NCCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)n1 541692881 ZWHAKQCFWYRSGD-AWEZNQCLSA-N 435.440 4.202 5 20 IIBD Cc1c([N+](=O)[O-])cnc(Sc2nnc(NCc3ccco3)s2)c1Br 544393758 BOANFAVIDUOOFK-UHFFFAOYSA-N 428.293 4.269 5 20 IIBD COCc1ccc(-c2noc(-c3ccc([N+](=O)[O-])cc3I)n2)cc1 546339820 AGDGXPPGKYZYJV-UHFFFAOYSA-N 437.193 4.063 5 20 IIBD Cc1cc(C)n(-c2ccc(Cc3nc(Cc4c[nH]c5ccc([N+](=O)[O-])cc45)no3)cc2)n1 546558172 GBRSPNNQCJOYRE-UHFFFAOYSA-N 428.452 4.443 5 20 IIBD CC(C)(C(=O)N1CCc2c(ncn2CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F 547261152 MRHDRMGUNRRLSC-UHFFFAOYSA-N 436.487 4.036 5 20 IIBD O=C(C1CCN(c2noc3ccc(Cl)cc23)CC1)N1CCc2ccc([N+](=O)[O-])cc21 549573260 ZNCFNOAMQAMPCQ-UHFFFAOYSA-N 426.860 4.195 5 20 IIBD CCOc1ccc([C@H](C)NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)cc1[N+](=O)[O-] 551780515 FMBGDWVRDYWRKQ-LBPRGKRZSA-N 446.447 4.267 5 20 IIBD Cn1ccnc1[C@@H](Nc1cccc(I)c1)c1cccc([N+](=O)[O-])c1 552288175 GEDWPNKPLFUDGB-INIZCTEOSA-N 434.237 4.134 5 20 IIBD CCCN(CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1ccccc1Br 554185756 ZVPZOZVCXDNAEU-UHFFFAOYSA-N 436.306 4.217 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CN[C@H](c2ccccc2)c2ccccn2)c1 554934626 XYFDHDZCHUWWQX-LJQANCHMSA-N 445.260 4.474 5 20 IIBD CCc1cnccc1-c1noc(-c2cc([N+](=O)[O-])cc(I)c2C)n1 558372652 BAFUYCSEQNJKAL-UHFFFAOYSA-N 436.209 4.182 5 20 IIBD CCc1ccc(-c2nc(CN3CCN(C(=O)c4ccccc4[N+](=O)[O-])CC3)cs2)cc1 561065632 QNILGVRBHZLKAN-UHFFFAOYSA-N 436.537 4.239 5 20 IIBD Cc1c(Cc2noc(Cc3ccccc3I)n2)cccc1[N+](=O)[O-] 571012987 ZHWCQCOHTGYVMX-UHFFFAOYSA-N 435.221 4.072 5 20 IIBD O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(NC(=O)c2ccco2)cc1 577298137 HNNYRAOJDOKMRK-UHFFFAOYSA-N 433.424 4.286 5 20 IIBD CC(C)(C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc12)c1csc(-c2cc(F)ccc2F)n1 578900131 CJWXUQWFDUHOHC-UHFFFAOYSA-N 443.435 4.789 5 20 IIBD CC1CCN([C@@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])c2cccs2)CC1 589795123 FKTIQIRHZCCALH-FQEVSTJZSA-N 428.558 4.434 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1ccc(F)c(Br)c1 590194674 DGTSSYAXEAIIIN-LLVKDONJSA-N 440.269 4.184 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 598404261 PQDLRVHBEDOSCB-XJKSGUPXSA-N 432.860 4.150 5 20 IIBD CCN1CCc2nc(NC(=O)c3ccc(N4C[C@@H](C)C[C@H](C)C4)c([N+](=O)[O-])c3)sc2C1 600203120 HNJGQFLNOOVXLF-GJZGRUSLSA-N 443.573 4.164 5 20 IIBD CCOC(=O)c1sc(NC(=O)c2csc([N+](=O)[O-])c2)c(C(=O)OC(C)(C)C)c1C 603753836 GIJDSUUJDBGSKJ-UHFFFAOYSA-N 440.499 4.411 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncc(Cc3cccc(F)c3)s2)c(Cl)c1 604028263 NHLHSVIAWIACFW-UHFFFAOYSA-N 427.866 4.235 5 20 IIBD Cc1nnc(CNC(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)o1 604249019 UTWXTWAMQQQHFB-XNTDXEJSSA-N 435.465 4.143 5 20 IIBD Cc1c(NC(=O)[C@H](C)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] 604276328 KBIPBPSNAYKGQH-SRVKXCTJSA-N 427.345 4.293 5 20 IIBD COc1ccc([C@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c2ccccc2)cc1 604433650 UIFNTIOHNYDACP-LJQANCHMSA-N 432.885 4.325 5 20 IIBD CCCN(Cc1ccccc1Br)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 604456654 MWGGDXVOTIYRLR-UHFFFAOYSA-N 437.290 4.184 5 20 IIBD O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 604461649 TVONCKCIMFUITG-NSHDSACASA-N 442.369 4.122 5 20 IIBD CCOc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1Cl 608805119 PUOLEJBMYWSKNT-GOSISDBHSA-N 431.876 4.199 5 20 IIBD CN(C)[C@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1ccccc1Cl 608830669 AQAJDYYJVACSDY-GOSISDBHSA-N 448.310 4.162 5 20 IIBD CC(C)[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1Cl 609689735 FMZATSAWHYDBGM-INIZCTEOSA-N 441.818 4.302 5 20 IIBD CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)C1 610156919 GMJUSIXKSJVJOL-SFHVURJKSA-N 430.549 4.338 5 20 IIBD CC(C)[C@@H](O)CCNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 610200673 CTAYINBGOVKLAX-INIZCTEOSA-N 431.539 4.493 5 20 IIBD CCCOc1cc(NC(=O)N2C[C@H](C)O[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OCCC 610415723 GYPIXRXQAKATPC-YVEFUNNKSA-N 449.426 4.356 5 20 IIBD COC1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CC1 610572970 BGLVEJNYZJGJOG-UHFFFAOYSA-N 449.960 4.240 5 20 IIBD COc1ccc(CNCc2ccc([S@](C)=O)cc2)cc1OCc1ccc([N+](=O)[O-])cc1 610574892 OLBFMNKGYVFUPT-HKBQPEDESA-N 440.521 4.210 5 20 IIBD CCCCN1C(=O)CC[C@H](C(=O)N(C)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(OC)cc1 611090732 IBWZOSICFWEPLO-JTHBVZDNSA-N 439.512 4.346 5 20 IIBD CC(=O)Nc1ccc(C(=O)COc2c([N+](=O)[O-])cnc3ccc(Br)cc23)cc1 612661187 SRCPWZWUUILCKT-UHFFFAOYSA-N 444.241 4.126 5 20 IIBD COc1cccc(OC)c1Oc1ccc(CNC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cn1 727707650 BCRLQANPILUOMB-UHFFFAOYSA-N 445.378 4.008 5 20 IIBD COc1ccc(-c2ccc(C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)c(F)c2)c(F)c1 730494166 SGLOLVCUNYRCSW-UHFFFAOYSA-N 442.374 4.344 5 20 IIBD O=Cc1ccc(OCC(=O)Nc2ccc(N3CCc4sccc4C3)cc2)c([N+](=O)[O-])c1 731623584 VZYKLMRUHRNPRQ-UHFFFAOYSA-N 437.477 4.049 5 20 IIBD O=C(COC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccc([N+](=O)[O-])cc1 732662546 QKERDAVFCHADGI-UHFFFAOYSA-N 446.459 4.026 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1 732954390 ZHLRFCLXGXJQKW-DEDYPNTBSA-N 439.855 4.271 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N1CC[C@H](CN2CCCC2)C1 739926628 QDQFYUBZXSZUMN-VGOFRKELSA-N 442.947 4.346 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)OCCCc2ccc(Cl)cc2)ccc1[N+](=O)[O-] 740957900 MJJBYMPZZUEDQE-FQEVSTJZSA-N 430.888 4.337 5 20 IIBD COc1ccc(OC(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c([N+](=O)[O-])c1 744034376 HIJJDZRJJLTOET-IFXJQAMLSA-N 430.457 4.411 5 20 IIBD O=C(OCc1nnc(-c2cccc(F)c2)o1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 744894292 GZLLCUPXBHAJQR-UHFFFAOYSA-N 426.385 4.264 5 20 IIBD C[C@@H]1[C@H](C(F)(F)F)OC(=O)N1c1ncccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 746486677 ZWDBWJVIKWHAID-AMIZOPFISA-N 444.753 4.172 5 20 IIBD C[C@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(Cl)cc1 747123220 FTTBODMDXFDYNU-JTQLQIEISA-N 430.766 4.301 5 20 IIBD Cc1c(CC(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)cccc1[N+](=O)[O-] 747750005 DFZZSILWYRZJRM-UHFFFAOYSA-N 438.509 4.045 5 20 IIBD COc1ccc(OC)c(CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)c1 749422603 VLGBPHCHBOFJNR-UHFFFAOYSA-N 443.681 4.000 5 20 IIBD Cc1sc(-c2ccco2)nc1C(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 750428923 VJZNSNKJDSOWLR-UHFFFAOYSA-N 428.470 4.088 5 20 IIBD CCCNC(=O)c1ccccc1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 750814343 SOZACRISQUUUOG-UHFFFAOYSA-N 438.406 4.194 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCC(c3ccc(N(C)C)cc3)CC2)c(C)c([N+](=O)[O-])c1 753123982 GDHZGQASPZYTGK-UHFFFAOYSA-N 440.500 4.167 5 20 IIBD CC(C)(C)OC(=O)N1CCc2c(NC(=O)NCCc3ccc([N+](=O)[O-])cc3)cccc21 753909724 SZKWTWQLQOVYEJ-UHFFFAOYSA-N 426.473 4.257 5 20 IIBD Cc1cc(C)cc(OCc2noc(COC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)n2)c1 755056576 TUIFSCYLWHUSLF-AWEZNQCLSA-N 429.404 4.160 5 20 IIBD C[C@H](C(=O)OCC(=O)Nc1ccccc1SC(F)F)c1ccc([N+](=O)[O-])cc1F 755057326 WNEJOBMVPHVQHU-JTQLQIEISA-N 428.388 4.334 5 20 IIBD C[C@H](OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)c1ccc(Br)cc1 758737164 LXUISSNJEOBNBY-NSHDSACASA-N 431.242 4.196 5 20 IIBD Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)o2)cc1C 758936106 KVHBIPMFANZZPS-OAHLLOKOSA-N 433.424 4.365 5 20 IIBD COC(=O)[C@@H](Cc1ccc(Cl)cc1)OC(=O)Cn1c2ccccc2c(=O)c2ccccc21 759473095 ARXWSLXLWWAEJL-JOCHJYFZSA-N 449.890 4.136 5 20 IIBD CCCn1c(=O)c2ccccc2n2c(SCc3ccc(Cl)c([N+](=O)[O-])c3)nnc12 760147024 KYDYHMXAWKBINK-UHFFFAOYSA-N 429.889 4.308 5 20 IIBD CC(C)[C@@H](NC(=O)OC(C)(C)C)c1noc([C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 762023558 GWWCCXDICHWVOU-JKSUJKDBSA-N 431.449 4.065 5 20 IIBD CC(=O)Oc1ccc(COC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 762877214 HBSSGXBGUCQFML-OAHLLOKOSA-N 435.436 4.445 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Cc1nc(Cl)ccc1Cl 764900549 MEAGMYSUPIIVOW-UHFFFAOYSA-N 426.075 4.033 5 20 IIBD O=C(COC(=O)CCCc1ccccc1Br)Nc1cc([N+](=O)[O-])ccc1F 767682303 MVWQIEJBPOKMEH-UHFFFAOYSA-N 439.237 4.001 5 20 IIBD Cn1ccnc1[C@H](NC[C@@H](O)c1ccc(-c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 768537912 XTHXDIGTGQYRTG-DNQXCXABSA-N 428.492 4.408 5 20 IIBD C[C@@H](Oc1cccc2ccccc12)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 769355997 MDOQOTQEOOXHBK-CYBMUJFWSA-N 428.828 4.351 5 20 IIBD Cc1nn(-c2ccccc2)c2ncc(C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)cc12 769376052 RGWGZPJBHZENEN-UHFFFAOYSA-N 427.464 4.442 5 20 IIBD O=C(OCCCOc1cccc2ccccc12)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 769672041 JFKJMSNUCOGWDA-UHFFFAOYSA-N 448.431 4.027 5 20 IIBD COc1ccccc1-c1csc([C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3N)C2)n1 773671887 YRLIVXLVIHOUHJ-AWEZNQCLSA-N 438.509 4.329 5 20 IIBD CSc1cccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(Br)c2)c1[N+](=O)[O-] 777073129 CHWLYDGFSBFIPO-JTQLQIEISA-N 439.287 4.263 5 20 IIBD Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 777882231 POTBFTIHGAAFEG-UHFFFAOYSA-N 444.463 4.267 5 20 IIBD O=[N+]([O-])c1cc(F)ccc1OS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 777932411 DJLQEUOMTUNJPQ-CQSZACIVSA-N 445.852 4.103 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 779164549 XRESHMSSYFVKLL-QWHCGFSZSA-N 428.327 4.092 5 20 IIBD Cc1ccc(C[C@@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccn2)cc1 781641640 KNKZKTYMJIIWSP-OAQYLSRUSA-N 434.452 4.239 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1Cc1nc(O)c2ccccc2n1 782267029 AKUDVZFUUBGWAI-UHFFFAOYSA-N 433.395 4.331 5 20 IIBD COc1cc(CCNC(=S)Nc2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])cc1OC 783721052 PSBHFTOBLDWECA-UHFFFAOYSA-N 445.419 4.040 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])OCc1nc(Cc2cccc(F)c2)no1 784658505 JVYJQYJCDFHWPC-UHFFFAOYSA-N 437.836 4.197 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)OCc1ccc(Cl)nc1C(F)(F)F 786786979 XWHAWBPNDNCUAP-UHFFFAOYSA-N 441.749 4.332 5 20 IIBD CCN(CC)C(=O)c1ccc(C(=O)O[C@H]2CCCN(c3ccc(F)cc3[N+](=O)[O-])C2)cc1 787030889 NAUGULLSYVMURV-IBGZPJMESA-N 443.475 4.042 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)OCCO[C@@H]2CCCCO2)cc1[N+](=O)[O-] 787562220 GASQZBYPJPWZDD-HXUWFJFHSA-N 445.493 4.248 5 20 IIBD Cc1cnc(COC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)c(C)c1[N+](=O)[O-] 789672523 WNENLNRJXZDGMC-HXUWFJFHSA-N 437.418 4.104 5 20 IIBD CC[C@@H](c1ccncc1)N(CC)S(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1C 790025298 CHQHIEBWFLBXNF-HNNXBMFYSA-N 442.335 4.223 5 20 IIBD CCc1c(C(=O)COc2cc(F)c(Br)cc2[N+](=O)[O-])[nH]c(C)c1C(C)=O 790295353 FWRIDPGUVVTUEI-UHFFFAOYSA-N 427.226 4.160 5 20 IIBD CN1CCC(N(C)c2ccc(NC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])cc2)CC1 790540871 HSZDGYNUIKKBGF-UHFFFAOYSA-N 434.899 4.099 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(Oc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])c(Cl)c1 790814085 OYCDNESTZJRWQO-UHFFFAOYSA-N 443.865 4.035 5 20 IIBD Cc1c(C(=O)N(C)Cc2ccc(Br)cc2Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] 791364702 UCNUEQHQEALCNN-UHFFFAOYSA-N 442.653 4.500 5 20 IIBD O=C(Nc1ccc(F)c(N2CCOC2=O)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 794099412 JLWJGQGBBFRWKG-UHFFFAOYSA-N 428.401 4.066 5 20 IIBD COc1cc([N+](=O)[O-])ccc1COC(=O)c1nc(C(C)C)n(-c2ccccc2Cl)n1 797473260 CBMNTLNGFSLKRF-UHFFFAOYSA-N 430.848 4.318 5 20 IIBD COc1cc(C(=O)Nc2nc3ccc(Cl)nc3s2)c([N+](=O)[O-])cc1OC(F)F 798130159 OODSEDLNLCZSSE-UHFFFAOYSA-N 430.776 4.115 5 20 IIBD O=C(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1cccc(C(F)(F)F)c1 798278327 MUHQZQLYSXEQFZ-UHFFFAOYSA-N 437.374 4.009 5 20 IIBD CC(C)(C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1Br 798729402 CLJQLDDCTOYUFI-UHFFFAOYSA-N 446.257 4.428 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 804175937 UJSNURZUZZUBNZ-UHFFFAOYSA-N 434.452 4.430 5 20 IIBD CCn1c(-c2ccccc2)nnc1N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 804703399 IYPKRRJMGMOEFE-UHFFFAOYSA-N 428.290 4.198 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCN(c2cccc(Br)c2)CC1 809918139 UTUNCKGNVBMFMR-UHFFFAOYSA-N 439.697 4.365 5 20 IIBD CC1(C)CC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c2ccccc21 810357824 YHLWSNNOSIVODA-MRXNPFEDSA-N 446.301 4.225 5 20 IIBD O=C(COC(=O)c1cc(C(F)(F)F)cc(Cl)n1)Nc1ccc(Cl)cc1[N+](=O)[O-] 811231513 IGUQPQNKXHXVBE-UHFFFAOYSA-N 438.145 4.111 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cc(-c2ccco2)nn1-c1ccccc1 811746174 NRXSCDBCMPBAOD-UHFFFAOYSA-N 446.419 4.144 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1Cl 813242361 QMUMEKAXCRKHAW-OAHLLOKOSA-N 438.267 4.154 5 20 IIBD CN1CCC(Oc2ccc(CNC(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])cc2)CC1 813250350 YNHVGTYZAWHHDF-UHFFFAOYSA-N 438.311 4.305 5 20 IIBD O=C(c1ccccc1F)N1CCCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 813404286 BGZFWRQVTJZIEE-UHFFFAOYSA-N 440.258 4.029 5 20 IIBD CCOC(=O)c1cc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])ccc1O 819359497 IYRNRNRXODHPGR-UHFFFAOYSA-N 436.420 4.308 5 20 IIBD COc1cc(NC(=O)CSCc2cc([N+](=O)[O-])ccc2OC)c(OC)cc1Cl 839443018 QDUGELHXOBNEBK-UHFFFAOYSA-N 426.878 4.146 5 20 IIBD Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C 906278245 XLWGJBXYWMJNRF-UHFFFAOYSA-N 434.500 4.206 5 20 IIBD O=C(COc1ccccc1-c1ccccc1)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 914796799 HSGHZHBSUNMUHY-UHFFFAOYSA-N 431.404 4.434 5 20 IIBD CC(C)C(=O)Nc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 914931118 JKAHTWCVQBUSPM-GFCCVEGCSA-N 433.848 4.027 5 20 IIBD O=C(COC(=O)c1csc(Cc2ccccc2)n1)Nc1cc(Cl)ccc1[N+](=O)[O-] 915454112 LBGQGPHQJJTZIO-UHFFFAOYSA-N 431.857 4.091 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Oc2ccc(NC(=O)c3ccco3)cc2)cc1OC 916957376 GFNFIPVJZZKZRV-UHFFFAOYSA-N 426.381 4.067 5 20 IIBD Cc1sc(NC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)nc1-c1cccc([N+](=O)[O-])c1 917791340 QBIHZDUGJRUGOX-QGZVFWFLSA-N 426.429 4.298 5 20 IIBD Cc1ccc(N2C(=O)C[C@H](C(=O)NCc3cccc([N+](=O)[O-])c3)[C@H]2c2cccs2)cc1 921288770 SYLSZYZFMHIVCR-UGKGYDQZSA-N 435.505 4.375 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NCc1cccc(C(F)F)c1 1116926228 IDDJUCRFKBEKQX-UHFFFAOYSA-N 446.191 4.375 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)c(Br)c1 1117310635 QOQQXKCUCJRAPL-HZPDHXFCSA-N 437.294 4.319 5 20 IIBD CCOC(=O)c1ccn(-c2cccc(NC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)c2)n1 1319064283 VXHBWWNFGQPAKC-UHFFFAOYSA-N 437.456 4.014 5 20 IIBD CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2N)cc1 1322736064 JRAWPQJINWKBKP-UHFFFAOYSA-N 449.305 4.110 5 20 IIBD CC(C)n1nc(-c2nnc(C(F)(F)c3ccc([N+](=O)[O-])cc3)o2)c2ccccc2c1=O 1330052405 ZGJAQALBQMXKOQ-UHFFFAOYSA-N 427.367 4.076 5 20 IIBD COC(=O)[C@H]1CCC[C@H]1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 1339397811 ZHJDAKKJLDXBAR-LSDHHAIUSA-N 448.859 4.121 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)NC1(c2ccc(NC(=O)[C@@H]3C[C@@]3(F)Cl)cc2)CCC1 1791670713 PDQOCSVVMSJXQY-AVRDEDQJSA-N 445.878 4.196 5 20 IIBD Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N(C(C)C)C(C)C)n1 3519771 KPBJSBDMKCCEEK-UHFFFAOYSA-N 437.543 4.313 5 20 IIBD O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 10428750 NSSVTPWHOYCCTJ-UHFFFAOYSA-N 442.903 4.230 5 20 IIBD COC(=O)c1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc([N+](=O)[O-])c1 15697406 CWQMMDRRNJAZEZ-CYBMUJFWSA-N 425.466 4.011 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Sc2nnc(NC3CCCCC3)s2)c([N+](=O)[O-])c1 16070209 MTBWNYOADMHSMT-LLVKDONJSA-N 437.547 4.319 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 16201791 UNWBEAFEOFTGIE-UHFFFAOYSA-N 433.873 4.474 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)c([N+](=O)[O-])cc1OC 21844871 IQXHLXHTAFRWMS-GFCCVEGCSA-N 436.848 4.066 5 20 IIBD Cc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 24030979 ONMNRBJSVPMTPU-UHFFFAOYSA-N 426.410 4.378 5 20 IIBD Cc1ccc(-n2c(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc3ccccc3c2=O)nc1 29072543 GPGWEDAWFTWPBD-UHFFFAOYSA-N 435.421 4.057 5 20 IIBD CC1CCN([C@@H](CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c2cccs2)CC1 32483023 XZFAYITXQXUQEN-FQEVSTJZSA-N 439.541 4.045 5 20 IIBD CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O 58924679 XRHJMQSHSSYEIC-PMACEKPBSA-N 446.507 4.248 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 64419358 WOPUAILQBXLGTE-LBPRGKRZSA-N 429.816 4.500 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 65448790 DNBJKQWURKULHZ-UHFFFAOYSA-N 435.362 4.130 5 20 IIBD O=C1[C@H](Sc2nnc(Cc3cccs3)n2C2CC2)CCN1c1cccc([N+](=O)[O-])c1 78768310 HACIXCGPCCVJLQ-QGZVFWFLSA-N 441.538 4.071 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(I)cc2C)c1 105256400 TUDGJGSBBCTODS-UHFFFAOYSA-N 428.251 4.482 5 20 IIBD CCN(Cc1cccc(F)c1)C(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C 209171972 JABUPIKPBASTGS-LJQANCHMSA-N 435.883 4.190 5 20 IIBD C[C@@H]1C[C@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CCN1Cc1ccccc1 301529482 JFSXLNKHZAVTJK-GDBMZVCRSA-N 439.484 4.056 5 20 IIBD CN(C)c1cccc([C@H]2CCCN2c2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)c1 301576056 ZUOYBFNVLNQZEO-LJQANCHMSA-N 439.903 4.202 5 20 IIBD CC(C)n1c([C@H]2CCCN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])C2)nc2ccccc21 302194417 SBHQBJXJQUBNDX-AWEZNQCLSA-N 448.570 4.374 5 20 IIBD CC(=O)N(C)C1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 302977659 CJDPWCQXATZALK-UHFFFAOYSA-N 431.876 4.123 5 20 IIBD Cc1cc(S(=O)(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)sc1Br 322307920 XPUZMAJGFQKRDZ-UHFFFAOYSA-N 434.318 4.138 5 20 IIBD CCOc1cc(C(=O)N(CCOC)Cc2ccc(F)cc2Cl)c([N+](=O)[O-])cc1OC 409964469 TUNDBXIIJGJDAQ-UHFFFAOYSA-N 440.855 4.083 5 20 IIBD CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 429840911 PNERBJARWBURMJ-LBPRGKRZSA-N 434.290 4.272 5 20 IIBD CC[C@@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)c1ccc(C)cc1 430308614 UHDQQXZFLONZOL-OAHLLOKOSA-N 434.290 4.180 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1CCN(c2cccc(Cl)c2)C1 430479191 VQQOEHCVLBDRCJ-GOSISDBHSA-N 431.923 4.203 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 432034135 RHHBNAPNAAXGHJ-INIZCTEOSA-N 444.557 4.000 5 20 IIBD CC(C)c1[nH]nc(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)c1[N+](=O)[O-] 433763376 AMTYUBFXAPKYCX-UHFFFAOYSA-N 448.483 4.284 5 20 IIBD CC(C)c1[nH]nc(C(=O)NC[C@@H](C)Sc2ccc(Br)cc2)c1[N+](=O)[O-] 433777075 ZJMQSHUPEDUJLK-SNVBAGLBSA-N 427.324 4.114 5 20 IIBD COC1CCC(N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)CC1 435474991 QEUQJIYDSKTXPH-UHFFFAOYSA-N 449.554 4.162 5 20 IIBD CCOc1ccc(CCNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1OCC 435821197 BBOIYUFDNRHFBY-UHFFFAOYSA-N 430.504 4.451 5 20 IIBD O=C(Nc1ccc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc1)NC1CC1 435949429 LWQMODVJTWSHRY-UHFFFAOYSA-N 448.429 4.496 5 20 IIBD CC1CCN(c2ccc(CNC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)cn2)CC1 436076518 QENLINURLZWRKK-UHFFFAOYSA-N 426.520 4.243 5 20 IIBD Cc1nc(-c2ccc(Br)cc2)c(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)n1C 436696436 GZNALFVNWJYZSW-UHFFFAOYSA-N 431.246 4.024 5 20 IIBD COc1ccccc1N1C[C@@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1=O 440600017 QYSHNTDCVFNCBT-IBGZPJMESA-N 445.475 4.190 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1 441641817 FBDIVGGKIFFVPK-UHFFFAOYSA-N 430.464 4.095 5 20 IIBD COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1 444309089 FJJPZBDDWJQASB-AWEZNQCLSA-N 432.451 4.424 5 20 IIBD C[C@@H](CCc1ccc(Br)cc1)NC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 445267800 RVERSGAGHVQNAY-LBPRGKRZSA-N 446.305 4.054 5 20 IIBD O=C(Cc1noc([C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)n1)NCc1ccc([N+](=O)[O-])cc1 445714556 SSZSGIAHTUSUIY-DLBZAZTESA-N 446.385 4.127 5 20 IIBD Cc1ccccc1[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@H](C)CO1 446039056 JLPSBPCGWWDILE-KUHUBIRLSA-N 433.302 4.197 5 20 IIBD COc1ccc(NC(=O)c2c(C)cccc2[N+](=O)[O-])cc1OCc1cn2ccccc2n1 446110068 WIUZYHUEDWVNTL-UHFFFAOYSA-N 432.436 4.391 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(Br)c2)c(C(F)(F)F)c1 446998121 XOUBJSKKKNHGTR-UHFFFAOYSA-N 425.182 4.177 5 20 IIBD COc1cc(C(=O)NCC(C)(C)c2ccccc2Br)c([N+](=O)[O-])cc1OC 448187581 DRTOGZADYMPITH-UHFFFAOYSA-N 437.290 4.082 5 20 IIBD CCS(=O)(=O)c1cccc(CC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)c1 460763216 NGFDKWYDFFPIQV-UHFFFAOYSA-N 445.522 4.002 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCO1 461250275 BNOYQVUWIQKZHE-FQEVSTJZSA-N 441.557 4.433 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N(Cc3ccc(F)cc3)C3CC3)n2C[C@@H]2CCOC2)c1 461362277 ISLTUYNPHLSLRS-KRWDZBQOSA-N 437.475 4.198 5 20 IIBD Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)n1 461605366 RNNHVBGYRUTGFQ-GOSISDBHSA-N 433.512 4.489 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CSC[C@@H]1C(=O)Nc1cccc(C)c1C 462491795 PHIJYEVDTXOWNO-WIYYLYMNSA-N 441.553 4.321 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@H]1CCCO[C@H]1c1ccccc1 462556268 SXLDGEGPRSKQSZ-DYVFJYSZSA-N 445.324 4.348 5 20 IIBD O=C(Nc1cccc(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1)c1ccccn1 463277951 ASEXIYHKGJAGHZ-UHFFFAOYSA-N 444.369 4.191 5 20 IIBD C[C@@H](NC(=O)c1c(Cl)cccc1I)c1cccc([N+](=O)[O-])c1 463509660 QGGSBVGRGGHKBZ-SECBINFHSA-N 430.629 4.344 5 20 IIBD Cc1nnc(Sc2ccc(NC(=O)CN(C)c3ccccc3[N+](=O)[O-])c(C)c2)s1 463586857 DCJHUILMOUHGDX-UHFFFAOYSA-N 429.527 4.289 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3s2)c2ncccc12 463670225 PXBCDEYAAZAWPN-INIZCTEOSA-N 440.506 4.279 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 466498701 GAHVQEALXGYOSB-UHFFFAOYSA-N 445.526 4.379 5 20 IIBD O=C(Nc1ccc2nc(Cc3ccccc3)oc2c1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 466911581 VJTAJPOWBTXHEZ-UHFFFAOYSA-N 440.419 4.160 5 20 IIBD O=C(c1cn(Cc2cccc(F)c2)nn1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 468814856 DPNLNLZFKGBNFN-UHFFFAOYSA-N 431.427 4.221 5 20 IIBD Cc1nc(CN(C)[C@H]2CCCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)no1 475621775 GVQURAJXKCOXFR-KRWDZBQOSA-N 425.489 4.033 5 20 IIBD COc1ccc(-c2ccc(CNC(=O)NCc3ccc(OC)c([N+](=O)[O-])c3)s2)cc1 475910518 JDGOCTGDDYQGMU-UHFFFAOYSA-N 427.482 4.340 5 20 IIBD Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cc([N+](=O)[O-])nn1C 478057637 IUDOYPBXMRMJNU-UHFFFAOYSA-N 447.373 4.160 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(C(=O)O)cc2F)cc1 479488512 QJLSZNZCRQXWIM-UHFFFAOYSA-N 426.356 4.485 5 20 IIBD C[C@@H]1CCCCN1Cc1ccccc1CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 481655979 JEGJCAMEMFMDKR-GOSISDBHSA-N 433.512 4.085 5 20 IIBD Cc1c(CNC(=O)C(=O)Nc2cccc(CO[C@H]3CCC[C@H](C)C3)c2)cccc1[N+](=O)[O-] 483813204 BXTUMJRVPLDRPR-KKSFZXQISA-N 439.512 4.253 5 20 IIBD Cc1cc([N+](=O)[O-])cnc1N1CCC(c2nc(-c3ccccc3Br)no2)CC1 487094515 DKPQNWATABEMNP-UHFFFAOYSA-N 444.289 4.495 5 20 IIBD COc1cc(CN(C)[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)ccc1O 487507154 HKBFGFAPDIKPKT-QHCPKHFHSA-N 435.480 4.429 5 20 IIBD O=C(Nc1ccc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1)c1cccnc1 487948223 QBPFXOZOHOIFKF-UHFFFAOYSA-N 445.479 4.116 5 20 IIBD CSc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2cccc(C)c2C)cc1[N+](=O)[O-] 488248470 IXROSMOIVMWTJF-KRWDZBQOSA-N 431.539 4.087 5 20 IIBD COc1c(F)cc(S(=O)(=O)N(Cc2ccco2)c2ccc(F)cc2C)cc1[N+](=O)[O-] 488255839 XVMJZNCJKFLOEY-UHFFFAOYSA-N 438.408 4.179 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(-c2cccc(Cl)c2)n1C 488897099 KNZCYDXQDUALES-LLVKDONJSA-N 447.904 4.172 5 20 IIBD Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 488909556 NFLLCMBZJWNDRS-ROUUACIJSA-N 447.539 4.499 5 20 IIBD C[C@@H](c1cc(F)ccc1F)N(C)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 489002154 QDWCILHSELUKDB-VIFPVBQESA-N 435.246 4.017 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cccc(S(=O)(=O)C2CCCCC2)c1 491481292 KYJQYOISSDHUSQ-UHFFFAOYSA-N 431.514 4.142 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N(Cc1cccc(-c2cccnc2)c1)C1CC1 492977127 PFSAPTLJTDHCBF-UHFFFAOYSA-N 445.475 4.162 5 20 IIBD CCC[C@H](C)NC(=O)[C@H]1CCCN(c2cc(CC)nc(-c3ccc([N+](=O)[O-])cc3)n2)C1 496185393 FRMVUKGTDHCZED-WMZOPIPTSA-N 425.533 4.135 5 20 IIBD O=C(NCC1CCN(Cc2ccccc2Cl)CC1)c1ccc([N+](=O)[O-])c2cccnc12 498297599 IUSFILSDICXTLY-UHFFFAOYSA-N 438.915 4.438 5 20 IIBD Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 498758321 LCNDVRDTMCAGCS-SFHVURJKSA-N 432.546 4.287 5 20 IIBD O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 498881493 VKKZDGOWUZHTGF-QGZVFWFLSA-N 432.484 4.354 5 20 IIBD CCc1noc(C)c1CNC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 500972133 OFPHPDNNJKPZQN-UHFFFAOYSA-N 439.493 4.337 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1cccc(Cn2cnc3ccccc32)c1 502276279 XMUIIRYWOFEUOR-UHFFFAOYSA-N 429.480 4.334 5 20 IIBD O=C(Nc1ccc2c(c1)CCN2C(=O)c1cccnc1)c1cc2cc([N+](=O)[O-])ccc2o1 505252162 VPVHZQBOLCVESC-UHFFFAOYSA-N 428.404 4.191 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 506475438 WUVSCENOYPCHAF-CYBMUJFWSA-N 448.882 4.065 5 20 IIBD CSc1cc2c(cc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])OCCO2 509290936 SJZXAYFAAAFELP-UHFFFAOYSA-N 444.387 4.281 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCC[C@@H](CN3CCC(C)CC3)C2)cc1[N+](=O)[O-] 509665691 SYFDVOPNEJYPPN-INIZCTEOSA-N 438.366 4.250 5 20 IIBD COc1cc(C(=O)N2CCCc3cccc(OC(F)F)c32)c([N+](=O)[O-])cc1OC(F)F 511506467 QLWWKTRLCKFIPE-UHFFFAOYSA-N 444.337 4.399 5 20 IIBD CS(=O)(=O)c1cc(-c2nc([C@H](F)c3ccc(C(F)(F)F)cc3)no2)cc([N+](=O)[O-])c1 512039311 HQUCYEZSSJGLKJ-CQSZACIVSA-N 445.350 4.126 5 20 IIBD CN(CCOc1cccc(Cl)c1)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 512362549 KZWILLBXASWKJZ-UHFFFAOYSA-N 432.782 4.340 5 20 IIBD COc1ccc(CNC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1OC 512520171 LRLOJAXAMHNATF-HZPDHXFCSA-N 427.501 4.024 5 20 IIBD CC(C)c1ccc(-n2cnnc2SCC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1 513353933 NRHGDUUAKDHGPO-UHFFFAOYSA-N 439.541 4.092 5 20 IIBD CCOC(=O)[C@H](C)[C@@H](C)N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 514233053 UPKFEVGNDZNJSA-LPMFXHHGSA-N 433.892 4.105 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3nc(-c4cccs4)nn3C)cc2[N+](=O)[O-])C1 516603979 KMKZXLSBDZFVDG-ZIAGYGMSSA-N 440.529 4.186 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(-c2cn3cccnc3n2)c1 518833748 QZUWCRFJJSAQPK-ZDUSSCGKSA-N 437.843 4.364 5 20 IIBD CCOC(=O)C[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(F)cc1 519944083 GSKWLSDDQALWOD-AWEZNQCLSA-N 441.362 4.151 5 20 IIBD O=C(CCOc1ccc(Cl)cc1Br)NCCc1ccc([N+](=O)[O-])cc1 520636623 MSKKDSNBMPBSCZ-UHFFFAOYSA-N 427.682 4.139 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCSC[C@H]1c1ccc(Cl)cc1 523847015 FHVFBDBTODEWGD-IBGZPJMESA-N 428.901 4.364 5 20 IIBD C[C@H](CO)CCCNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 536295756 OOHXCNQSHHIESB-ZDUSSCGKSA-N 431.539 4.494 5 20 IIBD COc1cc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc(OC)c1Br 540560309 MEVYXENPOZDIPV-SNVBAGLBSA-N 441.303 4.494 5 20 IIBD CC(C)(C)c1ccc(C(=O)Nc2ncc(F)cc2I)cc1[N+](=O)[O-] 540756765 ORBYYPJBBIWFIF-UHFFFAOYSA-N 443.216 4.283 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N[C@@H](CCO)c2ccccc2Br)cc1[N+](=O)[O-] 541038074 PRONFHKCOOUXDM-DYVFJYSZSA-N 436.306 4.150 5 20 IIBD COc1cc(C(=O)NC[C@@H](SC)C(C)(C)C)c([N+](=O)[O-])cc1OCc1cscn1 541277251 GMKSGYPFPCOQEO-QGZVFWFLSA-N 439.559 4.146 5 20 IIBD Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])o1 543119306 ULVOJPDVHUUAEY-KRWDZBQOSA-N 444.900 4.358 5 20 IIBD C[C@@]1(CCC(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)CCC(=O)N1 543374657 MPNALJOUEKJZJC-OAQYLSRUSA-N 449.866 4.245 5 20 IIBD CC(=O)N[C@@H](C)CCc1ccc(C(=O)COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 544074559 FOYKABMNBSQLDB-ZDUSSCGKSA-N 438.402 4.333 5 20 IIBD COc1ccc([C@H](C)NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1Br 544428687 PBXPGPNGLUEPBE-MNOVXSKESA-N 425.254 4.486 5 20 IIBD Cc1c(Br)cc(-c2nc(-c3ccc(C(=O)N(C)C)cc3)no2)cc1[N+](=O)[O-] 546321979 GTXLCHSBNDOPHV-UHFFFAOYSA-N 431.246 4.085 5 20 IIBD COc1cc(OC)c(OC)cc1/C=C/c1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 547267665 PAVZJRWSWVLFSG-QPJJXVBHSA-N 436.424 4.246 5 20 IIBD C[C@@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1ccc(-n2cccn2)c(F)c1 549197702 DDXRUWTXPPOYOE-CQSZACIVSA-N 434.431 4.057 5 20 IIBD CC(C)(C(=O)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1)c1ccc([N+](=O)[O-])cc1 554948225 ILVRRLGSKBMBMZ-UHFFFAOYSA-N 448.523 4.308 5 20 IIBD O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCC[C@H]1[C@@H]1CCCO1 557167800 DIBPTABSRMHTQX-HKUYNNGSSA-N 441.450 4.000 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCc1ccc(COCC(F)(F)F)cc1 557748882 PEBVHCNODAOTOX-UHFFFAOYSA-N 425.407 4.058 5 20 IIBD O=C(NC[C@@H](NCc1ccccc1)c1ccco1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 561083318 JJVKZFASYLGIGF-QGZVFWFLSA-N 433.386 4.468 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2c2nc(Cc3csc(C(C)C)n3)no2)ccc1[N+](=O)[O-] 564610504 SGTJCGBEBLKBSC-QGZVFWFLSA-N 441.513 4.434 5 20 IIBD CNC(=O)Nc1cc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)ccc1F 566577158 ARCAZIJMVHYFTE-KBPBESRZSA-N 443.479 4.220 5 20 IIBD CCOC(=O)C(C)(C)c1csc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)n1 569526799 HMZUSERTXGJSQW-UHFFFAOYSA-N 431.392 4.163 5 20 IIBD Cc1ccc(NC(=O)N2CCN(C(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)CC2)cc1Cl 573249609 QADGDZCQKJZSOF-CQSZACIVSA-N 448.882 4.176 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(-c2nc(CC(F)(F)F)no2)c1 574606235 DPXQLWMSXUTFPT-UHFFFAOYSA-N 435.362 4.380 5 20 IIBD O=[N+]([O-])c1ccccc1CN(c1nnc(-c2ccccn2)n1Cc1ccccc1)C1CC1 577568624 FQPDTLNDVWXXRS-UHFFFAOYSA-N 426.480 4.466 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2c2nc(-c3cc(O)nc4ccccc34)no2)ccc1[N+](=O)[O-] 579527244 KZAMPWLENSPEKT-LJQANCHMSA-N 445.435 4.184 5 20 IIBD C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](CCO)c1ccc(Cl)c(Cl)c1 580789403 UDUITGPYWUHTHI-KPZWWZAWSA-N 426.300 4.332 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1 586769883 RWQMWRSDMQCULQ-UHFFFAOYSA-N 444.431 4.223 5 20 IIBD CCOc1ccc([C@@H](NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)c2ccccc2)cc1 603613180 VCTZVJBHAQQLCV-QFIPXVFZSA-N 434.448 4.300 5 20 IIBD O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 603638680 ODJPFZSAQQUULS-UHFFFAOYSA-N 442.374 4.445 5 20 IIBD Cc1csc(N(C)C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 603743782 UYDCBVUHYXLZLX-UHFFFAOYSA-N 428.436 4.258 5 20 IIBD O=C(Nc1nc(-c2ccccn2)n[nH]1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 604480622 UWFABNYNZQRONW-UHFFFAOYSA-N 436.815 4.473 5 20 IIBD CC(C)[C@H](NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1cccc(C(F)(F)F)c1 608810561 OXYZZJDOMGBQQO-SFHVURJKSA-N 437.374 4.035 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCc2sccc2[C@H]1c1cccs1 608875530 OPQRRCAULUTLOS-DJJJIMSYSA-N 441.534 4.010 5 20 IIBD O=C(Nc1ccc(Oc2ccncc2)c(Cl)c1)c1cc([N+](=O)[O-])cc2c1OCCO2 608942750 ZMVBCPBBWGAHJK-UHFFFAOYSA-N 427.800 4.459 5 20 IIBD Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 609469478 YHTBUGYNBCGNAI-UHFFFAOYSA-N 434.452 4.356 5 20 IIBD O=C(CCCCc1nc2ccccc2s1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 609838108 MYFFXWHGPWMRRO-OAHLLOKOSA-N 425.514 4.025 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H](C)c1c(Cl)cccc1Cl 609847782 JIHIUQDMWQOOCC-HZMBPMFUSA-N 428.320 4.054 5 20 IIBD Cc1c(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)nnn1-c1ccc(F)c(Cl)c1 610046484 OEQBUMHRIFWMHY-UHFFFAOYSA-N 431.855 4.029 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)cc2)nn1 610184115 FWKQNKKTIRNTKI-UHFFFAOYSA-N 433.468 4.341 5 20 IIBD COc1cccc(C[C@H]2CCCN2S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 610261619 UTIWXAUNUVIMNK-CQSZACIVSA-N 445.324 4.306 5 20 IIBD O=C(NCCNC(=O)c1c(F)cccc1F)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611205964 MPMJSFGTXAXXQR-UHFFFAOYSA-N 449.479 4.068 5 20 IIBD Cc1ccncc1[C@H](C)NC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 611300384 XHQUIXSYAZQVMF-INIZCTEOSA-N 432.480 4.086 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCOC[C@@H]1c1c(C)nn(-c2ccccc2)c1C 611530192 HLZKXPCLHDSBLT-OAQYLSRUSA-N 435.484 4.311 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC[C@H]1c1ccccc1Br 612679035 UCWQHKXDWPQRGK-KRWDZBQOSA-N 425.304 4.024 5 20 IIBD COCc1ccccc1-c1noc(-c2cc(I)cc([N+](=O)[O-])c2)n1 612902817 UZFXVQJNPAGWFH-UHFFFAOYSA-N 437.193 4.063 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 613526099 BXFGTRDTYIZQCV-QGZVFWFLSA-N 432.473 4.351 5 20 IIBD Cc1nc([N+](=O)[O-])c(Br)n1CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 726430839 ASJDAVWZTPSNSC-INIZCTEOSA-N 439.285 4.049 5 20 IIBD O=C(CCc1cccc(Br)c1)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 729192197 INIWSSVFUQDXIH-UHFFFAOYSA-N 448.317 4.145 5 20 IIBD COc1ccccc1C/C(C)=C/C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 730348319 XQSNELYFVJUXDQ-YPDDLIOESA-N 432.860 4.316 5 20 IIBD C[C@H](OC(=O)CCc1nc2cc(Cl)ccc2s1)C(=O)Nc1cccc([N+](=O)[O-])c1 730609913 XQUUPTIGBVMUDJ-NSHDSACASA-N 433.873 4.361 5 20 IIBD O=C(CCCOc1ccccc1Cl)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730706101 VOCBQIQRNFGOMC-INIZCTEOSA-N 446.887 4.255 5 20 IIBD CCc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)n[nH]1 732791159 NXHXVLXITSRSIC-UHFFFAOYSA-N 447.539 4.269 5 20 IIBD Cc1cc(OCCOC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)ccc1C(C)C 733558484 UWCPTCUOHYCYJE-GOSISDBHSA-N 446.525 4.315 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@@H](c3ccccc3)C3CCOCC3)cc2)c(C)c1[N+](=O)[O-] 734348548 UVFMIBHZPARRPU-QHCPKHFHSA-N 448.523 4.354 5 20 IIBD CCOc1cc(NC(=O)Nc2ccc(CN(C)C(=O)OC)cc2)c([N+](=O)[O-])cc1OCC 735367402 PLQIPHVDCGSCRR-UHFFFAOYSA-N 446.460 4.234 5 20 IIBD CCOC(=O)C[C@@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 735901185 OKEYRLVKFHPTOM-QGZVFWFLSA-N 436.258 4.138 5 20 IIBD O=C(Nc1nc2ccc(Br)cc2[nH]1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 742892819 VCMTZNFVQNNAOK-UHFFFAOYSA-N 444.289 4.476 5 20 IIBD O=[N+]([O-])c1ccc(CN(c2ccccc2)S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 743343867 YZWIUEJLNCKYSW-UHFFFAOYSA-N 431.401 4.038 5 20 IIBD COc1ccc(C[C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3Br)C2)cc1 743824388 HURHDQQTRXZSFI-OAHLLOKOSA-N 433.302 4.461 5 20 IIBD O=C(OC1CCN(C(=O)c2ccccc2F)CC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 744126726 HSAAGMMJUKGNIB-UHFFFAOYSA-N 440.349 4.214 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)Cc2cc(Cl)ccc2Cl)c([N+](=O)[O-])c1 748391607 NVLCZFZFZDSJRW-JTQLQIEISA-N 427.240 4.023 5 20 IIBD C[C@H](COc1cccc(F)c1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 749568075 AVDQDUOWKIAGSK-SECBINFHSA-N 431.645 4.347 5 20 IIBD O=C(NC[C@H](O)c1ccccc1Cl)c1cc(Br)cc([N+](=O)[O-])c1Cl 749575637 GTLJEVCYTROZRZ-ZDUSSCGKSA-N 434.073 4.128 5 20 IIBD O=C(NCc1ccncc1)Nc1cccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1 749966826 SOZSMAPCWOKXFP-UHFFFAOYSA-N 425.832 4.217 5 20 IIBD C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1 750178967 XWCUZSRUKVKEHX-ZDUSSCGKSA-N 448.882 4.453 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)C(=O)c1ccc(F)cc1F 751691515 JEJVVKGUJSOJIY-ZETCQYMHSA-N 432.148 4.203 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F 754451613 ATCJMFSMLCYTAM-QGZVFWFLSA-N 431.798 4.437 5 20 IIBD CC(C)C(=O)Nc1ccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1 754630731 KYQCINTWNNKOKJ-UHFFFAOYSA-N 438.253 4.021 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N[C@@H](Cn1cccn1)c1ccccc1 755024283 LMROMXGTXBRBJF-INIZCTEOSA-N 430.262 4.117 5 20 IIBD COCCN(Cc1cc(Br)cs1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 756772001 JMMHCZHIQPWBOS-QPJJXVBHSA-N 425.304 4.107 5 20 IIBD COc1cccc(Oc2ccc(CNC(=O)NCc3cc([N+](=O)[O-])ccc3Cl)cn2)c1 756924177 PYZWBBZMUQBBQC-UHFFFAOYSA-N 442.859 4.444 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N(Cc1ccccc1)C[C@H](O)c1ccco1 757256169 MNNYTBJIHOTVCJ-IBGZPJMESA-N 429.860 4.287 5 20 IIBD CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 757444637 RCPVXTCDWZVQSB-GOSISDBHSA-N 447.495 4.064 5 20 IIBD O=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1cccc([N+](=O)[O-])c1Br 758107038 WCDRPXMQUZPVIW-UHFFFAOYSA-N 438.241 4.319 5 20 IIBD Cc1cc(F)cc(C(=O)N2CCN(C(=O)c3sc4ccccc4c3C)CC2)c1[N+](=O)[O-] 758509844 LNLVNLUOKMWBLL-UHFFFAOYSA-N 441.484 4.164 5 20 IIBD O=C(Nc1ccccc1)c1ccc(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 758679230 PLIZNOWMSUBNHP-UHFFFAOYSA-N 444.403 4.254 5 20 IIBD O=C(CCCc1cccc(Br)c1)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 761426168 CFXYNRHQJAQOPP-UHFFFAOYSA-N 446.257 4.473 5 20 IIBD C[C@H]1CCCN1C(=O)c1ccc(-c2noc(-c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)n2)cc1 762309869 RBTZPWXQCPWLPK-HNNXBMFYSA-N 444.451 4.122 5 20 IIBD C[C@@H](OC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C(=O)N(c1nccs1)C1CCCCC1 762905385 WYOVLCKRELPDOT-CYBMUJFWSA-N 442.497 4.444 5 20 IIBD C[C@H](C(=O)Oc1ccc(N(C)S(=O)(=O)c2cccs2)cc1)c1cccc([N+](=O)[O-])c1 762954482 SSRABDOUNAQGCC-AWEZNQCLSA-N 446.506 4.191 5 20 IIBD CON(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@@H]1CCCOc2ccccc21 764392038 BTFHGMZIGNZERG-HSZRJFAPSA-N 428.488 4.459 5 20 IIBD Cc1cc(Br)cc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 766796567 MZKLKORBQAEQHB-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD Cc1cc(-c2noc(COC(=O)c3cc([N+](=O)[O-])ccc3Br)n2)ccc1F 767316436 DYPONZUJLKRKBD-UHFFFAOYSA-N 436.193 4.212 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1)N1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 768544982 XGNFQYSYMJFGQX-UHFFFAOYSA-N 427.810 4.225 5 20 IIBD CCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CCN(C(=O)OC(C)(C)C)CC1 768554440 WNMWXXMMIIEYSK-UHFFFAOYSA-N 448.564 4.343 5 20 IIBD CC(=O)[C@H](Cc1ccc(F)c(F)c1F)OC(=O)c1ccc(Br)cc1[N+](=O)[O-] 768747016 NKMYXLLNBRZCJS-AWEZNQCLSA-N 446.175 4.132 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 769600900 ABYMLCJQQQFVFZ-UHFFFAOYSA-N 429.458 4.202 5 20 IIBD O=C(OCc1ccc(OCc2ccccn2)cc1)c1cc(Br)ncc1[N+](=O)[O-] 769825473 LYWXAUQQZKZYTJ-UHFFFAOYSA-N 444.241 4.083 5 20 IIBD CN(CCC1CCN(c2ccncc2)CC1)C(=O)c1cc([N+](=O)[O-])ccc1Br 770792370 QGGSWLUMGQLGGP-UHFFFAOYSA-N 447.333 4.131 5 20 IIBD COc1ccc2nc(Cl)c(C(=O)O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2c1 775016353 XUUZBPYTRVYYOY-LBPRGKRZSA-N 443.843 4.297 5 20 IIBD COc1ccccc1[C@H](C)NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C 775092435 YFOLZMMQGVYAMA-AWEZNQCLSA-N 432.498 4.138 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1coc(-c2ccccc2Cl)n1 776442214 DTPAGFCIIAKCML-UHFFFAOYSA-N 426.772 4.310 5 20 IIBD COC(=O)N1CCC([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC1 776962600 JFDOBKSJZJGMCL-CQSZACIVSA-N 435.546 4.226 5 20 IIBD CSc1cccc(C(=O)OCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1[N+](=O)[O-] 777075247 UAJIAPLHXPHGFY-UHFFFAOYSA-N 447.469 4.375 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1cc(Cl)ccc1OC[C@H]1CCCCO1 778196179 CZMPOVLVPQVGDY-QGZVFWFLSA-N 444.875 4.185 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(-n2cnc3ccccc32)cc1 781577182 WKQCCZIEEIOPTG-UHFFFAOYSA-N 431.408 4.413 5 20 IIBD C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])s1 783593862 KLDCHZONTWVNBS-SNVBAGLBSA-N 446.466 4.369 5 20 IIBD O=C(O[C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1)c1ccc(-c2cncnc2)cc1F 787023854 CDIQZZAQUKRIJG-KRWDZBQOSA-N 440.406 4.156 5 20 IIBD COc1ccccc1-c1nc(C2CCN(C(=O)c3cc(F)cc(C)c3[N+](=O)[O-])CC2)no1 791051852 YFQGFKQMNJZZFH-UHFFFAOYSA-N 440.431 4.121 5 20 IIBD CN(Cc1ccccc1N1CCCC1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 791417341 JXLSIRNPIKPQCS-UHFFFAOYSA-N 444.340 4.323 5 20 IIBD O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1nc(Br)ccc1Br 791557504 HJEUVEKKDMTOTR-UHFFFAOYSA-N 434.015 4.011 5 20 IIBD O=C(N[C@@H]1c2ccccc2CC12CCOCC2)c1cc(F)cc([N+](=O)[O-])c1Br 793878278 UZZAVUPYECNKLC-GOSISDBHSA-N 449.276 4.320 5 20 IIBD CNC(=O)c1cc(Oc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2)ccn1 794927940 GYMPAMZHAGPKPF-UHFFFAOYSA-N 426.816 4.047 5 20 IIBD COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 797579641 RONCCTJEEASTKX-UHFFFAOYSA-N 428.184 4.157 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N(CCc1ccccn1)Cc1ccncc1 798220320 XPOMQCTZNZQOGJ-UHFFFAOYSA-N 441.285 4.032 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC[C@H](O)c2ccc(Cl)c(Cl)c2)c1 798341694 VGIIFRKBIQVMHK-KRWDZBQOSA-N 427.284 4.219 5 20 IIBD CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 799787425 LOFMCRAERCMNLS-HNNXBMFYSA-N 437.512 4.165 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H](C)[C@H](C)c1ccccc1C(F)(F)F 800620775 BWGXNXZRROSQHW-CMPLNLGQSA-N 441.381 4.308 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)cc1F 801522889 DPRIRPYPNWSBGM-UHFFFAOYSA-N 430.480 4.314 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N(Cc1ccccc1)C[C@@H](O)c1ccccc1 804405500 BNKQKKSZMAPYDP-XMMPIXPASA-N 442.475 4.157 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc3c2CCCN3C(=O)OC(C)(C)C)c1 805309093 LWNQVFKAFOXRSL-UHFFFAOYSA-N 441.484 4.221 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1cc(C(F)(F)F)cc(Br)n1 806800733 MPKFXGQPXZCMMA-UHFFFAOYSA-N 433.184 4.135 5 20 IIBD O=[N+]([O-])c1ccc(NC(=S)N2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)cc1 809160454 PYYUWHSLCNMIIG-INIZCTEOSA-N 427.404 4.264 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 812211798 INLNCVRKYLLYIX-NRFANRHFSA-N 437.883 4.378 5 20 IIBD CCCCN1C(=O)CC[C@H](c2nc(CCC(C)(C)[N+](=O)[O-])no2)[C@@H]1c1ccccc1OC 812813541 KSLVXPRUKJYXBB-UWJYYQICSA-N 444.532 4.314 5 20 IIBD CCCCc1nc(C(=O)OCC)c(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])[nH]1 813219616 AJDQTTZITGTTDM-UHFFFAOYSA-N 429.260 4.396 5 20 IIBD CCOC(=O)[C@H](F)C1CN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 817678260 ASLKKAOFZDJCAL-LJQANCHMSA-N 432.473 4.028 5 20 IIBD O=C(Cc1ccc2c(c1)CCO2)Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1 821892847 VESUGFPLLSRVEN-UHFFFAOYSA-N 443.411 4.451 5 20 IIBD CC(C)[C@@H](OC(=O)COc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(C(F)(F)F)c1 877034828 BAYJZDTYHNDLAC-GOSISDBHSA-N 440.374 4.199 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1c1nc(-c2ccsc2C(F)(F)F)no1 904918002 JPRILMWBNGSAJO-VIFPVBQESA-N 428.348 4.295 5 20 IIBD CCc1c(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1-c1ccccc1 914630721 UNIRQXUKACCWGZ-CQSZACIVSA-N 433.424 4.311 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N(C)C2CCN(C)CC2)cc1 917793323 NVFAVMUWHSOTDB-INIZCTEOSA-N 428.558 4.245 5 20 IIBD COC(=O)c1cccc(C(=O)O[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)c1 919316626 JEVUMZXJXHHLTB-NRFANRHFSA-N 448.431 4.227 5 20 IIBD COc1cc(COC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])ccc1OC(F)F 920778503 SNRRKEQFCWGXFA-SNVBAGLBSA-N 431.775 4.369 5 20 IIBD CC1=C(C(=O)N(C)C)[C@@H](c2ccc([N+](=O)[O-])cc2Cl)NC(=S)N1c1ccc(F)cc1 1254537194 RSQPEQHQCMVSGF-GOSISDBHSA-N 448.907 4.185 5 20 IIBD CCCCCn1nc(-c2nnc(CCNc3ccccc3[N+](=O)[O-])o2)c2ccccc2c1=O 1341259393 BHXAOFGNIWUGCH-UHFFFAOYSA-N 448.483 4.200 5 20 IIBD C[C@@H]1C[C@@]1(C)C(=O)Nc1ccc(C2(NC(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)CCC2)cc1 1790424090 CSLBZTKADHAFEI-QKFKETGDSA-N 447.495 4.265 5 20 IIBD CCCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 1800523973 MCNKZDRZMGTVHI-WKCHPHFGSA-N 439.487 4.252 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1C1CC1)c1ccc([N+](=O)[O-])cc1F 1803518927 JIDXZCDGKCYHJM-BJWYYQGGSA-N 437.471 4.177 5 20 IIBD Cc1ccc(C)c(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccccc2[N+](=O)[O-])c1 1804344805 JIMUKXOSNFKZIE-LKZBZSNWSA-N 447.535 4.106 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CC=CCC2)[nH]n1)c1cc(F)cc([N+](=O)[O-])c1 1821163571 SPUKVRNJEUBPES-KUHUBIRLSA-N 441.463 4.119 5 20 IIBD CC(C)=CCCC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3F)sc2C1 1823237689 GANGEXZVAMMGFE-CYBMUJFWSA-N 446.504 4.163 5 20 IIBD CC/C=C(\C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(C)c([N+](=O)[O-])c2)CC1 1830363762 CCYQNUDLAYGQKP-DBEDULSISA-N 441.572 4.422 5 20 IIBD CCN(CC)C(=O)c1ccc(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)cc1 10593226 ZXEWNWRYAJZYHM-UHFFFAOYSA-N 444.538 4.417 5 20 IIBD Cc1ccc(NC(=O)COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(Cl)c1 11276012 JGXYODQISZMGRL-UHFFFAOYSA-N 434.879 4.298 5 20 IIBD CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(NC)c([N+](=O)[O-])c1 12481387 KWBPVFVWDYMGDC-UHFFFAOYSA-N 425.272 4.044 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(Br)c1 15655173 OAVRGWOOYIWXSW-PPOCWRSBSA-N 433.258 4.249 5 20 IIBD CSc1ccc(C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] 16144786 FQXCMVWSQRDHLL-OAHLLOKOSA-N 447.469 4.038 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3cccc(S(C)(=O)=O)c3)cc2[N+](=O)[O-])n1 16783469 HIGIZILNIAPODI-UHFFFAOYSA-N 449.535 4.167 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)cc1OC 18969000 NPXBQGSUDBVXFT-UHFFFAOYSA-N 443.239 4.104 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 19425956 VZJKOCMWQLRJMN-UHFFFAOYSA-N 429.429 4.046 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nnc(-c2cccc(Br)c2)o1 21322401 MDZGXFAZVHMCMN-UHFFFAOYSA-N 449.286 4.447 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1 23530090 JXSFDQPQFXBHHZ-UHFFFAOYSA-N 428.297 4.334 5 20 IIBD CC(C)n1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nc2ccccc2c1=O 25115732 VXDLIZDRBWLTOB-UHFFFAOYSA-N 432.889 4.270 5 20 IIBD O=C(Nc1ccc(F)cc1F)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 57573708 BCQWKZCKKWGLHR-UHFFFAOYSA-N 430.333 4.246 5 20 IIBD COc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OCc1cn2ccccc2n1 59360852 AZRYIMWXCSGNAD-UHFFFAOYSA-N 432.436 4.011 5 20 IIBD CC(=O)CCc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)cc1 62866341 GDQJBLUTVVFCDI-UHFFFAOYSA-N 446.459 4.365 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1 195711668 DRNSXJBVMAGIBP-UHFFFAOYSA-N 437.427 4.233 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 217196811 MAFMJTGFZNCWMA-INIZCTEOSA-N 439.459 4.096 5 20 IIBD CCN1CCN([C@H](C)CNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 236977166 RIJTUGGOXCPEFZ-QGZVFWFLSA-N 432.952 4.156 5 20 IIBD O=[N+]([O-])c1cc(CNCCCS(=O)(=O)c2ccccc2)ccc1Oc1ccc(F)cc1 237880409 MFRPEVZSJWHOOL-UHFFFAOYSA-N 444.484 4.480 5 20 IIBD CC(=O)c1sc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)nc1-c1ccccc1 255950568 PITRGMQHWKXXMM-UHFFFAOYSA-N 433.449 4.359 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2C[C@@H]3CN(Cc4ccccc4)CC[C@H]3C2)c1Br 381029663 WTTLECJHYRVNRA-IRXDYDNUSA-N 431.334 4.019 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl 409587822 RKXZXJWXERLIFX-UHFFFAOYSA-N 441.296 4.256 5 20 IIBD COc1ccccc1[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccco1 426959129 GQRHDHSQTQYFFM-HXUWFJFHSA-N 445.269 4.407 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 427182841 AEBXBRQCBZPGKM-UHFFFAOYSA-N 426.647 4.317 5 20 IIBD CN(C(=O)CCOc1ccccc1[N+](=O)[O-])[C@@H](c1ccc(Cl)cc1)c1cnccn1 427444206 ZCYDRVHAPJWZIY-NRFANRHFSA-N 426.860 4.055 5 20 IIBD O=C(Nc1cccc(Oc2ncc(Br)cn2)c1)c1ccc([N+](=O)[O-])cc1F 431878687 AHJAVIKJKMNIQB-UHFFFAOYSA-N 433.193 4.331 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N(CCn1ccnc1)Cc1cccc(Cl)c1 436020088 PKUBYEVEEGQORD-UHFFFAOYSA-N 433.295 4.370 5 20 IIBD O=C(NC1(c2ccc(OCc3ccccc3)cc2)CCOCC1)c1ccc(O)c([N+](=O)[O-])c1 436970790 MUJUCQXCRJVIGN-UHFFFAOYSA-N 448.475 4.315 5 20 IIBD CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 437033644 AIHWKBJYAYBKEE-JOCHJYFZSA-N 439.559 4.135 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC1CCC2(CCOCC2)CC1 437466286 IXXWGEGDISTYAS-UHFFFAOYSA-N 444.454 4.064 5 20 IIBD O=C(NC[C@H]1CCCN1C1CCCCC1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 437845089 UKRBPCPRNZKQCM-QGZVFWFLSA-N 439.506 4.486 5 20 IIBD C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444322370 IUZJKMNCAKCFEU-IVZQSRNASA-N 447.485 4.210 5 20 IIBD Cc1ccc(N2CCC(Nc3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])CC2)nc1 447684519 BISHSIRBTWGGSN-UHFFFAOYSA-N 431.365 4.428 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2 462599921 BYEQFWZSOYALAM-YYFZDKIDSA-N 425.485 4.150 5 20 IIBD COC(=O)c1cc(Br)cc(-c2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)c1 463057642 RMUYEHPCLJLHEA-UHFFFAOYSA-N 432.230 4.093 5 20 IIBD CCN1CCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(C)c2)CC1 463429575 IZPVCQWQRFNMSH-UHFFFAOYSA-N 436.434 4.316 5 20 IIBD C[C@H](Oc1ccc(F)cc1Br)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl 466290706 YISWICQBZPBVQP-VIFPVBQESA-N 431.645 4.234 5 20 IIBD Cc1ccc(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c(OC[C@H]2CCCO2)c1 466631279 UCMSPZXCUVEFDH-GOSISDBHSA-N 448.903 4.200 5 20 IIBD CC[C@H](NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1nc(C(F)(F)F)cs1 466672982 ZNSWBAKLCQFCJH-LBPRGKRZSA-N 443.451 4.053 5 20 IIBD CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 466901031 XHZLYVRAZJNREJ-MRVPVSSYSA-N 429.829 4.153 5 20 IIBD O=C(c1cc(F)ccc1F)C1CCN(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 467218600 QNSUWFPVLJMJOU-UHFFFAOYSA-N 437.830 4.331 5 20 IIBD C[C@H](O)C[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 468664492 ABEKIJOSSKPZRZ-BBRMVZONSA-N 436.917 4.011 5 20 IIBD CC1CCN(c2ccc(C(=O)NC[C@H](C[C@H](C)O)c3ccccc3)cc2[N+](=O)[O-])CC1 468993392 PGURXXLQOMYKRB-RXVVDRJESA-N 425.529 4.116 5 20 IIBD Cc1csc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1I 469368607 BAXWULJIPIEUAV-UHFFFAOYSA-N 444.294 4.322 5 20 IIBD O=C(Cc1csc(-c2ccccc2Cl)n1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 470278803 HOKKGNMXAZPWJY-UHFFFAOYSA-N 429.885 4.204 5 20 IIBD CCOc1cc(NC(=O)NCc2nnc(-c3ccccc3)s2)c([N+](=O)[O-])cc1OCC 470791457 HFZWXOWTSPLVTH-UHFFFAOYSA-N 443.485 4.232 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(F)c(F)cc1I 470975884 PGTRUVNRNCXFQK-UHFFFAOYSA-N 448.163 4.129 5 20 IIBD COc1cccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)c2cc(F)ccc2OC)c1 471461826 IOOHNQKPAGEOEO-OAQYLSRUSA-N 428.391 4.410 5 20 IIBD CCC[C@H](NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 472639000 SDBUKBVWPJDZOM-INIZCTEOSA-N 427.354 4.349 5 20 IIBD COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1OC 475451789 RDRCEIBMWSEPET-HNNXBMFYSA-N 435.274 4.352 5 20 IIBD CCOc1cc(N2CCN(C(=O)C[C@@H](C)c3c[nH]c4ccccc34)CC2)ccc1[N+](=O)[O-] 477380063 NMABZGLGPJZPJN-QGZVFWFLSA-N 436.512 4.317 5 20 IIBD O=C(NC1CCCCC1)c1ccc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1 479644532 XZSKSRQRWZAVDA-UHFFFAOYSA-N 433.468 4.095 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1 480401583 CZVVAXYYQJMMMA-UHFFFAOYSA-N 448.614 4.419 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 481397614 BXWGKSZYDUHTOP-MRXNPFEDSA-N 443.479 4.416 5 20 IIBD COCCn1c(C)c(C)c2cc(C(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCCO4)ccc21 481941865 FIANIQUQSHLPHU-UHFFFAOYSA-N 439.468 4.226 5 20 IIBD Cc1c(CNC(=O)C(=O)Nc2ccccc2-c2cc(F)c(F)c(F)c2)cccc1[N+](=O)[O-] 483807263 MBRNVRNKNCUDHU-UHFFFAOYSA-N 443.381 4.242 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2CC2)c2ccc(F)cc21 484383713 IOTOJPDAPSDWJU-UHFFFAOYSA-N 431.489 4.102 5 20 IIBD CC(C)(C)[C@H](Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)c1nc(-c2nc[nH]n2)no1 485404160 IXMDSELXASNCHM-MRXNPFEDSA-N 438.423 4.163 5 20 IIBD COC(=O)c1cc(NC(=O)c2cccc(COc3ccc(C)nc3)c2)c(C)c([N+](=O)[O-])c1 485984926 UMAWPGVHCVVWKH-UHFFFAOYSA-N 435.436 4.225 5 20 IIBD COc1cc([C@@H](C)NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)ccc1OC1CCCC1 486889592 XXMFPZDTUFBERZ-CYBMUJFWSA-N 428.441 4.145 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1CSc1nnc(N2CCCCC2)n1C[C@@H]1CCCO1 488769167 YLVOIDSNSXRZNT-AWEZNQCLSA-N 437.953 4.301 5 20 IIBD O=C(NC1(c2cccc(Br)c2)CCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 490225813 VISALMKACJGXMJ-UHFFFAOYSA-N 441.285 4.352 5 20 IIBD O=C(c1cc(O)nc2c(Br)cccc12)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 490402234 RYNIEXASFZEXCL-UHFFFAOYSA-N 442.269 4.416 5 20 IIBD O=C(Nc1ccccc1I)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 495151163 MVGJBDRCUZQQCT-UHFFFAOYSA-N 437.237 4.396 5 20 IIBD O=C(CSCC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 498154768 ZYIIFUDGNHGMSZ-LJQANCHMSA-N 436.942 4.438 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1cc(Cl)ccc1C(F)(F)F 499511827 MMAORGVIIOXGDA-UHFFFAOYSA-N 436.173 4.175 5 20 IIBD O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1csc(-c2ccc(F)c(F)c2)n1 503057923 VBFXTSGXTFFKSI-UHFFFAOYSA-N 427.392 4.435 5 20 IIBD Cc1nccn1CCCN(C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 503076098 WXNJMCAPUILTAO-OAQYLSRUSA-N 441.919 4.455 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(N2CCC(OC)CC2)CCCC1 503121469 WKDGMHWEXULAGY-UHFFFAOYSA-N 435.590 4.250 5 20 IIBD CCOc1ccc([C@@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 503445811 GIZYEGLVYLVAPL-QHCPKHFHSA-N 440.521 4.245 5 20 IIBD COCCC[C@H](CNC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc(Cl)cc1 503536669 IPWFLGRMQQOGHJ-OAHLLOKOSA-N 445.907 4.134 5 20 IIBD O=C(c1ccccc1OC(F)F)N1CCC[C@H](c2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 505043803 HUMTYJLPWQRLQT-AWEZNQCLSA-N 444.394 4.266 5 20 IIBD COc1ccc(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1OC 506124110 FZLKYZQNNIUPRU-HNNXBMFYSA-N 436.468 4.110 5 20 IIBD Cc1ccc(NC(=O)C(=O)N2CCC(c3ccc(Br)cc3)CC2)cc1[N+](=O)[O-] 506858749 UINQKZLKOBCZPP-UHFFFAOYSA-N 446.301 4.010 5 20 IIBD CNC(=O)c1ccc(N(C)Cc2ccc(OCc3ccccc3)c(OC)c2)c([N+](=O)[O-])c1 507105851 WKVLIZGLSIZBBP-UHFFFAOYSA-N 435.480 4.178 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 507539904 ZUDSVUMRGJRPRC-CQSZACIVSA-N 438.509 4.024 5 20 IIBD CC(=O)N(c1nc(Cn2cccc([N+](=O)[O-])c2=O)cs1)c1c(C)cc(C)cc1Cl 507940326 OZPMBXKABWXKTQ-UHFFFAOYSA-N 432.889 4.216 5 20 IIBD COc1cc(CN2CCC(CCN(C)C)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 511489777 TZLUCFRACPAKOD-UHFFFAOYSA-N 427.545 4.346 5 20 IIBD Cc1c(C(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)nnn1-c1cccc([N+](=O)[O-])c1 512010233 VNLNVSFWGDGALS-INIZCTEOSA-N 437.353 4.047 5 20 IIBD CCc1nc(CN2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)cs1 512075178 WRBRWDMSWCBYQT-UHFFFAOYSA-N 429.571 4.055 5 20 IIBD COc1cc(CN2CC[C@@H](N3CCCCC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 513745672 DMIGDLJJPMCFOU-JOCHJYFZSA-N 425.529 4.243 5 20 IIBD CCOc1cc(NC(=O)N2CCN(c3cccc(C)c3C)CC2)c([N+](=O)[O-])cc1OCC 515219343 GQPLNJMRUDMQJG-UHFFFAOYSA-N 442.516 4.363 5 20 IIBD O=[N+]([O-])c1ccc(NCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)c(F)c1 515480437 DNQVUWSWORSULF-UHFFFAOYSA-N 425.439 4.207 5 20 IIBD O=C(c1ccc(F)cc1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 515502766 MVRVXKCFSQOREH-UHFFFAOYSA-N 449.438 4.124 5 20 IIBD CS(=O)(=O)c1ccc(-c2nc(CCc3c(Cl)cccc3Cl)no2)cc1[N+](=O)[O-] 516893036 QJVLIQJJDLETPO-UHFFFAOYSA-N 442.280 4.140 5 20 IIBD COc1cc(CNc2cnn(Cc3ccncc3)c2)c([N+](=O)[O-])cc1OCc1ccccc1 517551404 LBDUKTIIIDKEBU-UHFFFAOYSA-N 445.479 4.434 5 20 IIBD CCCCOc1ccc(-c2nnc(N3CCc4ccc([N+](=O)[O-])cc4C3)n2C)cc1OC 519792880 QCUUFOPCBHVTBL-UHFFFAOYSA-N 437.500 4.141 5 20 IIBD Cc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)sc1-c1ccc(F)cc1 522475031 FMZANPIQNUEVAS-UHFFFAOYSA-N 426.473 4.128 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCCN(C3CCCC3)CC2)cc1 523393682 NNENGSCJQFJBAJ-UHFFFAOYSA-N 439.512 4.486 5 20 IIBD Cc1c(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] 523714965 ZQEZKPZTGRVLFM-HNAYVOBHSA-N 435.402 4.470 5 20 IIBD Cc1cc(S(=O)(=O)N(Cc2cc(Br)ccc2F)C2CC2)ccc1[N+](=O)[O-] 523758126 PQHMXYITHYUINP-UHFFFAOYSA-N 443.294 4.158 5 20 IIBD CCC(CC)n1c(COc2ccccc2Cl)nnc1Sc1ncc([N+](=O)[O-])c(N)n1 524411237 URPFNUJZTHGGEW-UHFFFAOYSA-N 449.924 4.303 5 20 IIBD Cc1cc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)ccc1C(=O)N(C)C 524617802 DYYBTABFWXAONZ-UHFFFAOYSA-N 432.480 4.469 5 20 IIBD C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 526019176 WWCZXSHVNLEPOL-VIFPVBQESA-N 436.795 4.068 5 20 IIBD CCc1ccc([C@@H](c2cccnc2)N(CC)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 530951466 JOJRAXRNMFYJSD-QFIPXVFZSA-N 425.510 4.352 5 20 IIBD Cc1c(NS(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)cccc1[N+](=O)[O-] 534207154 NISACDQCTNJUAV-UHFFFAOYSA-N 436.383 4.121 5 20 IIBD COc1ccc([C@@H](CCO)NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1 534947999 CXOJDJBBGVBRCV-OAQYLSRUSA-N 435.480 4.069 5 20 IIBD Cc1ccc(-c2nc(NC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)sc2C)cc1 537348785 BJMUQALODZRPHZ-UHFFFAOYSA-N 438.509 4.424 5 20 IIBD CCS(=O)(=O)C[C@@H](C)N(C)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 538728628 MKEWRZQKUJYUBG-CQSZACIVSA-N 426.922 4.296 5 20 IIBD O=C(NCCNc1ncnc2ccc([N+](=O)[O-])cc12)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 538823545 JBUQJMUAQCKRNB-HZPDHXFCSA-N 446.294 4.177 5 20 IIBD C[C@@H](C(=O)Nc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1)c1ccc([N+](=O)[O-])cc1F 542513305 OVLAJJVCHILHSS-LLVKDONJSA-N 449.485 4.003 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccccc1OCCn1ccnc1 543253282 ZQBRPVULLDHALK-UHFFFAOYSA-N 432.889 4.255 5 20 IIBD NC(=O)c1ccc(-c2noc(-c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)n2)cn1 545697352 ZAFQPQCXMHJZCS-UHFFFAOYSA-N 437.799 4.251 5 20 IIBD Cc1ncc([N+](=O)[O-])cc1-c1nc(Cc2ccc(OC(C)C)c(Br)c2)no1 545796772 RJSDENNRVMQOQE-UHFFFAOYSA-N 433.262 4.489 5 20 IIBD C[C@H](Nc1ccc(-c2nc(CCCn3ccccc3=O)no2)cc1[N+](=O)[O-])c1ccccn1 547091911 GQEHYFXZZCSKBN-INIZCTEOSA-N 446.467 4.007 5 20 IIBD O=C(Nc1cnn(-c2ccccc2)c1C(F)(F)F)c1ccn(-c2ccccc2[N+](=O)[O-])n1 547242405 NIFXETMWJGWAJF-UHFFFAOYSA-N 442.357 4.237 5 20 IIBD Cc1ccccc1[C@@H]1CN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CCO1 547715141 UXUFSANSLORRKU-QFIPXVFZSA-N 434.442 4.482 5 20 IIBD COc1ccc(CC(=O)N[C@@H](c2cc(F)cc(Br)c2)C2CC2)cc1[N+](=O)[O-] 548165997 DJKLFHWMEFDGMS-LJQANCHMSA-N 437.265 4.315 5 20 IIBD Cc1cc(N2CCC(OCCN3C[C@@H](C)O[C@H](C)C3)CC2)c([N+](=O)[O-])cc1C(F)(F)F 549139474 XSSDKQCCQWVNRH-HZPDHXFCSA-N 445.482 4.017 5 20 IIBD Cc1cc(C(=O)N2CCOCC2)ccc1N(C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F 549918368 BXELURFHTUJQOH-UHFFFAOYSA-N 437.418 4.031 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(CC(=O)Nc2ccc(F)cc2)no1 556314297 WIYVWEWRVPCTHN-UHFFFAOYSA-N 435.209 4.036 5 20 IIBD Cc1ccc(CN[C@@H](c2cccc([N+](=O)[O-])c2)c2nccn2C)c(OCC(F)(F)F)c1 556872547 ZGCQWPZUKWWHIU-IBGZPJMESA-N 434.418 4.457 5 20 IIBD O=C(NCc1ccco1)c1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c1 559107414 NYWUVZQWJDZRGR-UHFFFAOYSA-N 447.369 4.067 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCO[C@@H](c4ccccc4)C3)n2C[C@@H]2CCCCO2)c1 559217036 ZOMPTZZBNJFXRF-FCHUYYIVSA-N 449.511 4.000 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cc(I)ccc1Cl 560723038 POYFNFNBCBLPBT-UHFFFAOYSA-N 444.656 4.168 5 20 IIBD COc1cc(-c2nc(CC(=O)Nc3cc(Cl)ccc3Cl)no2)cc([N+](=O)[O-])c1C 573044379 ZCQBHXCUMMNLRT-UHFFFAOYSA-N 437.239 4.450 5 20 IIBD Cc1ccc(-c2nnco2)cc1NCc1cc(I)cc([N+](=O)[O-])c1 580009869 QJXPKQJGQJAUAZ-UHFFFAOYSA-N 436.209 4.170 5 20 IIBD CC(C)N(C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)O)c1ccc(Br)cc1 581585504 YGFMZFWXENFMQF-MRXNPFEDSA-N 436.262 4.426 5 20 IIBD COC(=O)[C@@](C)(NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 582337999 SCXPSZGUHZYGSN-WLRWDXFRSA-N 425.268 4.210 5 20 IIBD COc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1N1CCCC1=O 582500812 ZJEDSOQLAWWPAV-UHFFFAOYSA-N 448.273 4.053 5 20 IIBD COCCN1[C@H]2CC[C@H]1CC(N(C)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)C2 584521910 JCYUMNQKIIGYIB-ROUUACIJSA-N 439.512 4.101 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 586770065 PIOBRCYYGHBLPH-AWEZNQCLSA-N 444.431 4.191 5 20 IIBD O=[N+]([O-])c1cc(I)ccc1NC[C@@H](c1ccco1)N1CCCC1 603838697 BUXQBDWVOVBCDO-HNNXBMFYSA-N 427.242 4.041 5 20 IIBD COc1cccc2c1OCC[C@@H]2NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 604570614 DHKHROHUHIJPDG-SFHVURJKSA-N 425.485 4.093 5 20 IIBD COc1ccc(CSCC(=O)NCc2ccc(Br)cc2C)cc1[N+](=O)[O-] 609505745 YASLGGHKOLYVKB-UHFFFAOYSA-N 439.331 4.224 5 20 IIBD Cc1ccccc1C[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 609633257 OXWQQAJKLBUPSB-INIZCTEOSA-N 439.331 4.062 5 20 IIBD CN(Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])n1C)C(=O)c1cc2ccccc2o1 609908277 KOVRQKAWDJAPAB-UHFFFAOYSA-N 432.436 4.204 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(CC(=O)Nc2ccccc2F)cc1 610000165 HQRQYNQAYUEVDU-UHFFFAOYSA-N 436.443 4.274 5 20 IIBD Cc1ccc(NCCCNC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)c([N+](=O)[O-])c1 610052812 SJXYFVXIDZRJRT-UHFFFAOYSA-N 443.891 4.158 5 20 IIBD O=C(Cc1ccn(-c2ccc(F)cc2)n1)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 610222578 ZLVZWXCWJSUFKM-UHFFFAOYSA-N 444.422 4.332 5 20 IIBD O=C(NC1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611213439 CKVRPWWCBORULV-RTWAWAEBSA-N 447.601 4.127 5 20 IIBD Cc1cc(C(=O)COC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])c(C)n1Cc1cccs1 725934836 ABJQVXDOPRDVKP-UHFFFAOYSA-N 434.420 4.441 5 20 IIBD CC[C@H](C)n1ncc2c(C(=O)OCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cc(C)nc21 725954021 FECYCTZJLWCRST-ZDUSSCGKSA-N 436.428 4.026 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2sc3c(c2C(=O)NC2CC2)CCC3)cc1SC 728471008 GIPFBHLIYFCUBX-UHFFFAOYSA-N 447.538 4.020 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)O[C@H](C)C(=O)NCc3cccs3)cc2[N+](=O)[O-])C1 728943336 MOSZJFBVDMGKDF-BZUAXINKSA-N 445.541 4.000 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N(Cc1c(F)cccc1F)C1CCCC1 729656229 VPHYIXCEWDFLFT-UHFFFAOYSA-N 445.466 4.295 5 20 IIBD CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2cscn2)NC(=O)N1Cc1ccccc1 731422238 ZEFVEMCITNSXKL-HXUWFJFHSA-N 449.492 4.231 5 20 IIBD CC[C@@H](C)c1ccc(C(=O)COC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 733558546 LCQHZCXJIVHNLO-RHSMWYFYSA-N 444.509 4.201 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F 734771042 OCXMOKUSNAFERR-HOTGVXAUSA-N 442.422 4.464 5 20 IIBD CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-] 734898341 YQNGDMQBTMQAOH-XOBRGWDASA-N 430.888 4.291 5 20 IIBD CN1C(=O)CC[C@@H](COC(=O)CSc2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc(Cl)c1 740597565 MFLYIVFWCIIBIH-YCRPNKLZSA-N 448.928 4.493 5 20 IIBD Cc1ccc([C@@H](Nc2nc3ccccn3c2[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 742426490 XBSDQJXKAQSKIC-HXUWFJFHSA-N 436.493 4.156 5 20 IIBD C[C@@H](OC(=O)[C@@H](Oc1ccccc1)c1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 744789269 BZKUJTDDMDVGRU-VFNWGFHPSA-N 438.411 4.424 5 20 IIBD C[C@H](OC(=O)C1(c2ccccc2F)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 745065434 ZNZFZBDOYYVKEE-NSHDSACASA-N 440.349 4.355 5 20 IIBD C[C@@H](OC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1nc(-c2ccc(Cl)cc2)no1 746076398 XBACSDMFLNFQOK-SNVBAGLBSA-N 440.799 4.470 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2SC[C@H](O)c2ccccc2)cc1 747324350 RRNYZVNUWIZMEP-IBGZPJMESA-N 430.507 4.221 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1ccc(OCc2ccccn2)c(F)c1 747818906 SSMLNXHLYQRDDP-AWEZNQCLSA-N 440.431 4.156 5 20 IIBD CC(=O)c1ccccc1NC(=O)[C@H](C)OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 747958614 PMKGLMYCTOTCDT-ZDUSSCGKSA-N 439.449 4.105 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccccc1N1CCOC1=O 750660672 AVPBOLVBYPBBBO-UHFFFAOYSA-N 438.362 4.011 5 20 IIBD COc1ccc(CC[C@@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1 754634186 AIUFULRVDIQBDS-LLVKDONJSA-N 425.254 4.256 5 20 IIBD CC(C)N(C)Cc1cccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c1 755003285 XJDABHHQWQXCRP-UHFFFAOYSA-N 438.297 4.267 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])N(Cc1ccccc1)C[C@H](O)c1cccs1 755763603 RVRQNRYQDXHGSW-FQEVSTJZSA-N 425.510 4.221 5 20 IIBD COc1cc(CN(C)C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)ccc1OC(F)F 756964692 DEUFJHPZGLPYMQ-UHFFFAOYSA-N 429.807 4.200 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)cc1[N+](=O)[O-])c1ccccn1 759789178 RDEYXEGIRDJMLY-GFCCVEGCSA-N 447.411 4.200 5 20 IIBD O=C(NC1CC1)c1ccc(NC[C@H](O)c2cccc(OCc3ccccc3)c2)c([N+](=O)[O-])c1 760490441 AYVSJZHIANFILG-DEOSSOPVSA-N 447.491 4.212 5 20 IIBD CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)OC(=O)c3ccc([N+](=O)[O-])n3C)ccc21 761056904 WZPCMCMEJLUZNQ-CQSZACIVSA-N 434.452 4.245 5 20 IIBD Cc1cc(C)n(-c2ccc(Cc3noc(CCc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])n3)cc2)n1 761425066 QEQUWXNLNADANF-UHFFFAOYSA-N 448.439 4.065 5 20 IIBD COCCCNC(=O)c1c(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)sc2c1CCCC2 762964171 ZAMGONXJOIDUEQ-CQSZACIVSA-N 445.541 4.044 5 20 IIBD CCCn1ccc(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 763423672 GBKCZMNTBRDCIR-UHFFFAOYSA-N 438.450 4.358 5 20 IIBD O=C(OCc1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1cc(F)c([N+](=O)[O-])cc1F 763579278 VIFQPUANTJUOPL-UHFFFAOYSA-N 429.166 4.118 5 20 IIBD COc1cc(COC(=O)c2ccccc2CSC2=NCCS2)c([N+](=O)[O-])cc1F 766158079 BKCAEKAQMHSFBB-UHFFFAOYSA-N 436.486 4.436 5 20 IIBD Cc1c(C(=O)N2C[C@H](C)Oc3ccc(Br)cc32)cc([N+](=O)[O-])cc1[N+](=O)[O-] 767331359 ZMAHDKRHSQLOOP-VIFPVBQESA-N 436.218 4.002 5 20 IIBD Cc1cc(S(=O)(=O)Nc2cccc(NC(=O)c3ccccc3)c2C)cc([N+](=O)[O-])c1F 768266584 VKUNNPMJCMXJIC-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(C(=O)O)c(C(F)(F)F)c2)cc1[N+](=O)[O-] 769832775 JGAHIXUNNQMIOQ-UHFFFAOYSA-N 438.767 4.074 5 20 IIBD O=[N+]([O-])c1ccc(-c2ncn(CN3CCC[C@H](c4nc(C(F)(F)F)cs4)C3)n2)cc1 771865115 HXIXIRPRUZYHFL-ZDUSSCGKSA-N 438.435 4.166 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cccn1[C@H](C)Cc1ccccc1 773708047 ANIKUPFNKOEBFO-MRXNPFEDSA-N 437.452 4.004 5 20 IIBD CC(C)(C)OC(=O)NC1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC1 774653912 NABBPBOVKSHGNG-UHFFFAOYSA-N 440.369 4.137 5 20 IIBD O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1Br 775209787 ZDODBNRHVDPXHX-UHFFFAOYSA-N 441.181 4.057 5 20 IIBD CSc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2I)c1C 775511488 MXMDTKITARUXDW-UHFFFAOYSA-N 428.251 4.482 5 20 IIBD CC1CCN(C(=S)SCC(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])CC1 776217293 HMMLMPVFSPIUPZ-FQEVSTJZSA-N 445.566 4.372 5 20 IIBD CN(C)c1ccc(N(Cc2ccccn2)C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc1 776388615 VOQMSNOJBOOMRM-UHFFFAOYSA-N 426.423 4.381 5 20 IIBD O=C(NCCSCc1ccnc(Cl)c1)c1ccc(Br)cc1[N+](=O)[O-] 777453931 RUGMDTNXQRUAOC-UHFFFAOYSA-N 430.711 4.069 5 20 IIBD CC(C)(C)OC(=O)N1CCCc2c(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)cccc21 778778550 MPXPXJGRRIDBHQ-UHFFFAOYSA-N 441.484 4.091 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC[C@@H]1NC(=O)OC(C)(C)C 780776095 LNWLKLSEZWAVNV-BEFAXECRSA-N 435.524 4.057 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1nc(-c2cc(F)ccc2F)cs1 781560401 BURDTFSWCRXGBB-UHFFFAOYSA-N 434.380 4.476 5 20 IIBD O=C(Nc1nc2ccccc2nc1N1CCCC1)c1cccc([N+](=O)[O-])c1Br 782121830 XALPNWJQDDHFBF-UHFFFAOYSA-N 442.273 4.153 5 20 IIBD Cc1ccccc1C1(CNC(=O)c2cccc([N+](=O)[O-])c2Br)CCOCC1 782167846 UATVVGWYIDSSJM-UHFFFAOYSA-N 433.302 4.144 5 20 IIBD CC1CCN(c2ccc(C(=O)O[C@H](C)C(=O)N(C)c3ccccc3)cc2[N+](=O)[O-])CC1 783281580 KEIQFAIYJFVXBF-QGZVFWFLSA-N 425.485 4.039 5 20 IIBD O=C(COC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(SC(F)F)cc1 785951679 XAMPBOLAQVBHNF-UHFFFAOYSA-N 430.816 4.287 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@H]1C[C@@H](O)c1ccco1 787338170 CGMLKLRCGDMWJG-GOEBONIOSA-N 427.379 4.004 5 20 IIBD C[C@H](OC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)c1ccccc1C(F)(F)F 789082075 IBZYQYLXGNYFRK-NSHDSACASA-N 440.330 4.269 5 20 IIBD CCO[C@H](C)c1nc(CN2CCN(c3ccc(C(=O)CC)cc3[N+](=O)[O-])CC2)cs1 795103433 VZGZHDCDDSAVKQ-OAHLLOKOSA-N 432.546 4.064 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)c1ccc(NC(=O)C(C)(C)C)cc1 795710307 BPIZLBBKXSPZKT-UHFFFAOYSA-N 428.441 4.018 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)OCc1nnc(-c2ccccc2Br)o1 798129023 LKQDSABYEGWZOT-YFHOEESVSA-N 430.214 4.164 5 20 IIBD CSc1ccccc1[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1I 799403431 BASNTODDODROGL-JTQLQIEISA-N 442.278 4.412 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 801897451 GAHARSJNWJXPSO-QFYYESIMSA-N 444.337 4.203 5 20 IIBD O=C(OCc1c(Cl)ccc(F)c1Cl)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 806013743 VXQXFGIWPQKJGY-GFCCVEGCSA-N 447.271 4.450 5 20 IIBD CC(C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 810389177 APXOVLLCOBVUPU-QWHCGFSZSA-N 426.311 4.017 5 20 IIBD O=C(NC[C@H]1CCCCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1Br 812368894 COPRMPIGMLCLTO-QGZVFWFLSA-N 446.345 4.389 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Cc1ccc(-n2cccc2)cc1 915135724 SONUHRZXZANYRZ-UHFFFAOYSA-N 445.479 4.415 5 20 IIBD Cc1c(C(=O)NCc2ccccc2CN2CCCC[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] 915651881 HCCFFTVEHZEZFI-HNNXBMFYSA-N 426.473 4.116 5 20 IIBD COc1ccc(/C=C2/N=C(c3ccoc3C)OC2=O)cc1OCc1ccc([N+](=O)[O-])cc1 917416959 QNQIXTYXAHPDKV-YBFXNURJSA-N 434.404 4.428 5 20 IIBD CCc1cccc(N2C(=S)N[C@H](c3csc([N+](=O)[O-])c3)C(C(=O)N(C)C)=C2C)c1 918059485 VXJVHGCSSPZKTN-GOSISDBHSA-N 430.555 4.017 5 20 IIBD COc1ccc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1OCc1cn2ccccc2n1 918651936 VZYBOBCIIAIDTA-GHXNOFRVSA-N 444.447 4.482 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)N(Cn1nc(-c3cccnc3)n(Cc3ccco3)c1=S)CC2 919946892 BOORZIXCWDCBFF-UHFFFAOYSA-N 434.481 4.046 5 20 IIBD CC(C)(C(=O)NCc1ccc(-n2cnc3ccccc32)nc1)c1ccc([N+](=O)[O-])cc1F 1116593018 TULLLJPQEQPKRH-UHFFFAOYSA-N 433.443 4.062 5 20 IIBD O=C(c1cc(-c2ccco2)nc2ccccc12)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1318007876 PGDCAMRZMRIQOO-UHFFFAOYSA-N 442.475 4.361 5 20 IIBD CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)N3Cc4ccc([N+](=O)[O-])cc4C3)cc2C1 1318823883 TXPWMCKDTSOFPY-UHFFFAOYSA-N 438.484 4.436 5 20 IIBD O=Cc1cccc(OCc2cccc(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)c2)c1 1322565552 HWGUVEWEGCCXDZ-UHFFFAOYSA-N 449.415 4.210 5 20 IIBD COc1cc(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc(Cl)c1OC 1345730591 FDLHEUDCNPZVBR-UHFFFAOYSA-N 447.797 4.284 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2ccccc12)c1cc(O)cc([N+](=O)[O-])c1 1797300852 NRRNPNBSHGANSN-REPLKXPHSA-N 445.475 4.019 5 20 IIBD C[C@@H]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)n[nH]1 1814967988 QVDXAEFSUZLILL-FZHAMISPSA-N 441.488 4.053 5 20 IIBD CC(C)(C)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2F)[nH]n1 1816763527 MNFDHBFJKZJKGE-SFHVURJKSA-N 445.495 4.128 5 20 IIBD CC/C=C(\C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)[nH]n1 1823090225 GAQJKRFLQTXADF-QDGSLSSCSA-N 439.516 4.299 5 20 IIBD O=C(CC1CCC1)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc(F)ccc2[N+](=O)[O-])CC1 1832888721 LSGPXKRZFOKVEI-NRFANRHFSA-N 445.535 4.086 5 20 IIBD C[C@@H](OC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C(=O)NC1CCCCC1 5972760 AEAFMNWUHJRRAS-MRXNPFEDSA-N 425.485 4.201 5 20 IIBD O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 12258609 GOENMSMCDXGHFA-UHFFFAOYSA-N 444.827 4.446 5 20 IIBD O=C(Nc1ccc(OS(=O)(=O)c2ccccc2Cl)cc1)c1cccc([N+](=O)[O-])c1 14100299 BTOROHOWKRMHQG-UHFFFAOYSA-N 432.841 4.268 5 20 IIBD Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c2)cc1 15410121 RBDWRGGTCBPGPV-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 16196942 HSFBRKQFWHAHOG-JTQLQIEISA-N 444.387 4.399 5 20 IIBD COc1cccc([C@H](CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)N2CCCC2)c1 25182288 NZUUOIHIKDKWGU-IERDGZPVSA-N 429.542 4.037 5 20 IIBD CCCN(CC(=O)Nc1ccccc1C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 31474889 XBKBXUQNIWRDMH-UHFFFAOYSA-N 441.531 4.340 5 20 IIBD COc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] 33096264 XAUVGBILAPCGAL-OAHLLOKOSA-N 438.267 4.154 5 20 IIBD COc1ccc(S(=O)(=O)N2CCC(c3cccc4ccccc34)CC2)c([N+](=O)[O-])c1 58501810 JGIDFJZSEDANJY-UHFFFAOYSA-N 426.494 4.325 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 64420799 LHZUIDAGAYKDFM-STQMWFEESA-N 431.876 4.241 5 20 IIBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(NCc2ccccc2)c(Cl)c1 72047133 GGCJWUIAEUMUMN-UHFFFAOYSA-N 438.871 4.229 5 20 IIBD CCN(c1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1)C(C)C 110312595 NIQHWCQRDNLKNK-JOCHJYFZSA-N 438.528 4.381 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(C(F)(F)F)ccc2F)ccc1[N+](=O)[O-] 112520754 UWJYPZHRPQQMHS-QGZVFWFLSA-N 439.365 4.304 5 20 IIBD COc1cc(CNCc2ccnc(-n3cccn3)c2)c([N+](=O)[O-])cc1OCc1ccccc1 237289855 MLWLYBAKWQHCQD-UHFFFAOYSA-N 445.479 4.053 5 20 IIBD COc1ccc([C@H](CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)N2CCOCC2)cc1 237356328 TXNXBFLQJLEYKI-QHCPKHFHSA-N 437.496 4.027 5 20 IIBD COc1cc(CNc2ccnn2C[C@H]2CCOC2)ccc1OCc1ccc([N+](=O)[O-])cc1 237453603 RPJAJTFMUWNNGF-LJQANCHMSA-N 438.484 4.028 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(I)ccc1Cl 319379566 ZWRIIHPUVRQECI-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD O=C(NCc1cccc(C(=O)NCc2ccco2)c1)Nc1ccc([N+](=O)[O-])cc1Cl 409756600 WVEDNKILMYJKDG-UHFFFAOYSA-N 428.832 4.093 5 20 IIBD O=C(O)[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1csc(-c2cccs2)n1 426739196 AMTIKVFMGPDVQK-MRXNPFEDSA-N 428.495 4.047 5 20 IIBD COc1cc(C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)c([N+](=O)[O-])cc1OC 427457147 SGYLTKLANFUIHY-UHFFFAOYSA-N 427.457 4.383 5 20 IIBD COCCN(C(=O)c1cncc(OC(C)C)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 428346675 GFHQMGJGKXKNQL-UHFFFAOYSA-N 442.497 4.194 5 20 IIBD C[C@@H](c1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1)N1CCOCC1 430923591 FFAZPUNCRZDQBO-ZDUSSCGKSA-N 434.290 4.003 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCCN(CCCc2ccccc2)CC1 436357283 HZWWMCWXGSNKBC-UHFFFAOYSA-N 439.559 4.462 5 20 IIBD Cc1ccc(OCc2ccccc2)c(NC(=O)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 443143945 OFUNBSSROFVRQL-KRWDZBQOSA-N 433.464 4.298 5 20 IIBD CCn1cc(S(=O)(=O)Nc2nc3ccc(Oc4ccccc4)cc3s2)c([N+](=O)[O-])n1 443422256 HOIAXRDCSITBSW-UHFFFAOYSA-N 445.482 4.014 5 20 IIBD CC1(C)CCN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CCS1 447640088 PPADGXRKHMHSEC-UHFFFAOYSA-N 429.329 4.445 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1 460468483 GCLYFGZBMBSKPJ-UHFFFAOYSA-N 449.389 4.012 5 20 IIBD COc1cccc(O[C@@H](C)CNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 460530805 WHNVDVJODHLMRK-LBPRGKRZSA-N 444.431 4.298 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)CC[C@@H]1c1ccccc1 460638775 GJKBQELKONPYJZ-YJBOKZPZSA-N 437.525 4.140 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2cc([C@H]3C[C@H]4CC[C@H]3C4)[nH]n2)cc1[N+](=O)[O-])c1ccccn1 461472936 YEPAFDZFECJOOP-OVWQWFNUSA-N 446.511 5.042 5 20 IIBD CC(C)N(C)C(=O)COc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 463205116 UBCNCMJVCWQLRJ-UHFFFAOYSA-N 440.283 4.400 5 20 IIBD COc1ccc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])cc1NC(=O)C1CCCCC1 463708901 JPEYGSPOGICTKR-UHFFFAOYSA-N 440.500 4.197 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCC[C@@H](CC(=O)OC(C)C)C3)cc2[N+](=O)[O-])CC1 463934285 YJKADJAIHQBGET-SFHVURJKSA-N 431.533 4.025 5 20 IIBD COc1cc(C(=O)N2CC[C@]3(CCOC3)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 465097536 WXHSAPSLOXCXSA-NRFANRHFSA-N 432.860 4.302 5 20 IIBD C[C@H]1CCN(CCOc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Br)cc2)C1 465196719 WUUYIZADRWXVJT-AWEZNQCLSA-N 448.317 4.330 5 20 IIBD COc1ccc(C(=O)Nc2ccc(C(=O)N(C)Cc3ccccc3[N+](=O)[O-])s2)cc1 466316188 DEAUBZNGCZPBOQ-UHFFFAOYSA-N 425.466 4.189 5 20 IIBD CCC[C@H](NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])c1nn[nH]n1 467756695 HOYYEIVJSSTKDF-AWEZNQCLSA-N 432.893 4.184 5 20 IIBD COc1cc(C(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)c([N+](=O)[O-])cc1OC 470720718 YLYNJYHXZQCNKY-LBPRGKRZSA-N 441.267 4.212 5 20 IIBD CCc1ccc(C(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 471994902 GMNJISMYDRFCPE-UHFFFAOYSA-N 425.466 4.210 5 20 IIBD Cc1nc(CC(C)C)c(NC(=O)c2ccc([N+](=O)[O-])cc2I)s1 472713981 OJYAMZSMSODZTQ-UHFFFAOYSA-N 445.282 4.415 5 20 IIBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1Oc1ccc(Cl)cc1 473840716 GHTYSAWDPALUNT-UHFFFAOYSA-N 425.828 4.409 5 20 IIBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1NCc1ccc(Cl)cc1 474427737 PMRMNUCKQRJMGO-UHFFFAOYSA-N 438.871 4.229 5 20 IIBD Cc1cccc(CC2(O)CCN(C(=O)Cn3c4ccccc4c(=O)c4ccccc43)CC2)c1 477670769 GJUOQPGKNKODSW-UHFFFAOYSA-N 440.543 4.059 5 20 IIBD COC(=O)c1cnc(NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)c([N+](=O)[O-])c1 477720545 FGVWGZGMDBLFIY-UHFFFAOYSA-N 443.463 4.300 5 20 IIBD COC(=O)c1csc(-c2cccc(CNC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)c2)n1 478819836 CFGXECJFZMNBHV-ZDUSSCGKSA-N 440.481 4.065 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 479819744 WMXQDSAIIAUKLB-MRVPVSSYSA-N 438.328 4.480 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC(OCCCOc2ccccc2)C1 480218353 CCNCNYRXSIINNX-UHFFFAOYSA-N 439.493 4.028 5 20 IIBD CCNc1cc(C)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1I 480805220 PRFUBZGIKSOBTR-UHFFFAOYSA-N 425.226 4.192 5 20 IIBD CCOC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)c1ccc([N+](=O)[O-])cc1Cl 482224259 ZSDCQYGUPDDOHX-HXUWFJFHSA-N 426.856 4.306 5 20 IIBD Cc1nc(-c2ccccc2NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cs1 484321360 MPCXXMXSCNQQEX-UHFFFAOYSA-N 436.493 4.156 5 20 IIBD CC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)CC2)cc1 485245098 LFDWISUKXNZUNV-UHFFFAOYSA-N 438.480 4.257 5 20 IIBD C[C@@H]1CCCN(C(=O)C2CCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)CC2)C1 485400066 QXKFULAUMPSSTC-MRXNPFEDSA-N 426.492 4.271 5 20 IIBD O=C(NCCc1ccn(-c2ccccc2)n1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 486517571 IWDVPTGNIHOGHX-UHFFFAOYSA-N 442.475 4.332 5 20 IIBD COCCSc1ccc([C@@H](C)NC(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)cc1 486875098 QGLHSBDKNMCUEW-CQSZACIVSA-N 447.513 4.311 5 20 IIBD O=C(CC[S@@](=O)Cc1cc(F)c(C(F)(F)F)cc1F)Nc1ccccc1[N+](=O)[O-] 488803176 HQEQLRLXCJSHEW-GDLZYMKVSA-N 436.358 4.169 5 20 IIBD CC(C)c1ccc([C@H](NC(=O)CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)C(C)C)cc1 488979258 IGKCEGQOVNNFHD-HSZRJFAPSA-N 427.549 4.065 5 20 IIBD Cc1cc(=N[C@@H](c2ccc(Cl)cc2)c2nccn2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 489174233 IOKVJCGNBPEDEL-FQEVSTJZSA-N 434.887 4.371 5 20 IIBD C[C@@H]1CCCN(Cc2csc(NC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)n2)C1 489563460 NCAJDTJYJSAKFT-OAHLLOKOSA-N 429.546 4.480 5 20 IIBD COc1ccccc1[C@H](CNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)N1CCCC1 489870943 FRUOVNDKMWWOLM-UWJYYQICSA-N 426.517 4.109 5 20 IIBD Cc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)cc1[N+](=O)[O-] 490434190 GFOMWDCKWNBPDV-ACJLOTCBSA-N 444.431 4.073 5 20 IIBD Cc1ccccc1[C@@H](CC(C)C)NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 491136942 MWUYAFZUGRJOOV-GOSISDBHSA-N 444.557 4.220 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])Nc1nc(-c2ccccc2)c(Br)s1 492456010 JGYGLLNPVDMDLB-UHFFFAOYSA-N 434.271 4.498 5 20 IIBD COc1cc(C(=O)N(C)Cc2ccccc2C(F)(F)F)c([N+](=O)[O-])cc1OC(F)F 494023111 NZGVATBGQDUNAF-UHFFFAOYSA-N 434.317 4.496 5 20 IIBD CC(C)(NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1nc(C(F)(F)F)cs1 497346433 AUPGKPBZPVPECU-UHFFFAOYSA-N 425.335 4.337 5 20 IIBD Cc1c(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)cccc1C(=O)Nc1ccccc1 498929403 NILVMMARDPTPFR-UHFFFAOYSA-N 433.468 4.389 5 20 IIBD O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCO[C@@H](c2cccc(Br)c2)C1 500257145 MCWRDWPDSOBUSV-GOSISDBHSA-N 430.258 4.052 5 20 IIBD Cc1cc(C(=O)N2CCOC[C@H]2c2c(C)nn(-c3ccccc3F)c2C)ccc1[N+](=O)[O-] 501173307 ZBFBHAXCQJZOFB-NRFANRHFSA-N 438.459 4.059 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@@H]2CCCC[C@H]2OC(F)F)cc1[N+](=O)[O-])c1ccccn1 501607716 ZDXQMPFPRIMXTP-BOFPYLFWSA-N 434.443 4.443 5 20 IIBD Cc1c(Cl)cccc1NC(=O)CCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 505254451 LXHLDISFMSDHDI-UHFFFAOYSA-N 444.900 4.439 5 20 IIBD CCOC(=O)c1ccc(F)c(C)c1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 505435004 RAYZRRCMEHCRAK-UHFFFAOYSA-N 429.448 4.074 5 20 IIBD O=C(NCCCO[C@H]1CCCc2ccccc21)C1CCN(c2ccccc2[N+](=O)[O-])CC1 505544883 KDYBDXFMUMIPMD-DEOSSOPVSA-N 437.540 4.412 5 20 IIBD CN(Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 505925521 UKSXOVMVMFTCSG-UHFFFAOYSA-N 437.418 4.056 5 20 IIBD CCOC(=O)c1cc(C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)cc([N+](=O)[O-])c1 509309389 GAHTYWLHNAUMLN-MRXNPFEDSA-N 428.338 4.334 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CCC(C)(c3ccccc3)CC2)cc1[N+](=O)[O-] 510718700 IEANWCWYTYYDBY-UHFFFAOYSA-N 437.525 4.068 5 20 IIBD CCOc1cc(NC(=O)c2ccc(C(=O)N(CC)CC)cc2)c([N+](=O)[O-])cc1OCC 512020913 BFZPTXXHBKOPBP-UHFFFAOYSA-N 429.473 4.127 5 20 IIBD CCOCc1ccc(CNC(=O)CSc2nc3cc4ccccc4cc3c(=O)n2C)cc1 515423151 AKJCJFAJIPVUBS-UHFFFAOYSA-N 447.560 4.032 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N(C)C[C@@H]2CCCCO2)cc1[N+](=O)[O-] 516138532 XHCYBWFPLDNVAE-INIZCTEOSA-N 428.510 4.189 5 20 IIBD CC1CCN([C@@H](CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c2cccs2)CC1 516341951 ILUUVXFYZPBYQP-INIZCTEOSA-N 443.978 4.061 5 20 IIBD O=C(Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 517248006 LFKLHJSZCWZHBJ-XZOQPEGZSA-N 439.512 4.132 5 20 IIBD O=C(Nc1ccc2nc(C3CC3)sc2c1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 518377550 KLMAAXUCMPSLIE-AWEZNQCLSA-N 442.522 4.387 5 20 IIBD CCCNC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1Cl 518857324 YESHOFWVXMMUCT-LLVKDONJSA-N 440.283 4.447 5 20 IIBD Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 519023103 YESMMSNTXDZNPH-UHFFFAOYSA-N 449.945 4.099 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCc3cccc(Br)c3)cc2)c(C)c1[N+](=O)[O-] 520308092 DLCOJQVNADNQQR-UHFFFAOYSA-N 443.301 4.149 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ccc(Oc2ccccc2)cc1 520822681 BCKOGZHBCKTCJL-UHFFFAOYSA-N 425.828 4.409 5 20 IIBD Cc1nn(CCC(=O)NC2(c3ccc(Br)cc3)CCCC2)c(C)c1[N+](=O)[O-] 522572166 WJFMHULWLZBQSC-UHFFFAOYSA-N 435.322 4.146 5 20 IIBD Cc1ccc(S(=O)(=O)N(Cc2ccn(C(C)C)n2)c2cccc([N+](=O)[O-])c2)c(C)c1 522631646 KMKBUEFNRWSOSW-UHFFFAOYSA-N 428.514 4.385 5 20 IIBD COc1cc(C(=O)N[C@H]2CCC[C@@H](SC)C2)c([N+](=O)[O-])cc1OCc1cscn1 522667149 UHSCOWDMKBCIHI-GXTWGEPZSA-N 437.543 4.043 5 20 IIBD C[C@H](CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)Oc1ccccc1 524049610 QUHMSUPUHXNGJW-GFCCVEGCSA-N 435.267 4.285 5 20 IIBD COc1c(Br)cc(Cl)cc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] 525198132 OBVCBJGFQSTYFT-UHFFFAOYSA-N 428.670 4.094 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCc1cccc(NC(=O)c2ccccn2)c1 525354003 AKFLGUFMUBXBDL-UHFFFAOYSA-N 447.495 4.064 5 20 IIBD CCCOc1cc(NC(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)c([N+](=O)[O-])cc1OCCC 530838602 CKRSXPCNBABLMM-INIZCTEOSA-N 445.520 4.002 5 20 IIBD COc1cc(Br)c(S(=O)(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1Cl 534206570 HGTJIVMMAJXMEO-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 534246727 GKDXZKPCXRSNDV-GOSISDBHSA-N 444.495 4.280 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1csc2ccccc12 535687349 ZXWQDVDLNOSWAZ-UHFFFAOYSA-N 430.507 4.395 5 20 IIBD CCC[C@@H](NC(=O)C[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 536305723 PTXPCDQAOZJVEU-QJWGWKRISA-N 441.509 4.156 5 20 IIBD O=C(Nc1cccc(NS(=O)(=O)c2ccccc2)c1)c1c[nH]c2cccc([N+](=O)[O-])c12 536509139 DXTIVWVOCRGMGQ-UHFFFAOYSA-N 436.449 4.129 5 20 IIBD O=C(N[C@H]1CCO[C@@]2(CCOC2)C1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 536567904 SRDJSRPXPYPAQV-KKSFZXQISA-N 432.860 4.108 5 20 IIBD C[C@H](NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc(OCC(F)(F)F)cc1 537061497 OAYGEYHLGVNXMX-ZDUSSCGKSA-N 439.390 4.185 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(CN2CCCC2=O)c1 538190337 HWCRIEGZVJZABF-UHFFFAOYSA-N 427.526 4.148 5 20 IIBD O=C(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)Nc1c(F)cc(F)cc1Br 538660584 RMPFPOYRDVNLBI-UHFFFAOYSA-N 437.200 4.138 5 20 IIBD CC(C)[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(C(F)(F)F)cc1 539325396 ISDCZJTZZRHQKB-IBGZPJMESA-N 439.390 4.268 5 20 IIBD Cc1cc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)nn1-c1ccccc1Cl 540744161 ASVIQRYMMYCVFU-UHFFFAOYSA-N 436.859 4.395 5 20 IIBD Cc1c(NC(=O)[C@@H](C)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)cccc1[N+](=O)[O-] 540863874 HTRNJHDNCDXCST-SJLPKXTDSA-N 440.548 4.276 5 20 IIBD COc1cc(CN2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c([N+](=O)[O-])cc1OC 541209182 DMWNRTFQDXKBQQ-IBGZPJMESA-N 426.391 4.204 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)[C@H]2CCCC[C@@H]12 542060108 AAXGFFYHWJSVNR-NQERJWCQSA-N 443.525 4.046 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1OC 542587955 VTPKLSJXXXLTSJ-LPHOPBHVSA-N 432.448 4.134 5 20 IIBD O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCc3c(ncn3CCc3ccccc3)C2)c1 545548630 VNSZTYGTGALSNC-UHFFFAOYSA-N 428.439 4.194 5 20 IIBD CCOC(=O)Cn1ccc2cc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)ccc21 545826287 NGUSIOIIZBQIMX-UHFFFAOYSA-N 427.432 4.168 5 20 IIBD Cc1c(Br)cc(-c2nc(-c3cccc(C(=O)N(C)C)c3)no2)cc1[N+](=O)[O-] 546279619 QJRZGYMZGUEWLF-UHFFFAOYSA-N 431.246 4.085 5 20 IIBD CO[C@H](c1ccc(Br)cc1)c1noc(CCNc2ccccc2[N+](=O)[O-])n1 547223107 YQSPDQIPSQJDNX-QGZVFWFLSA-N 433.262 4.131 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1 548969646 BICNZBXEEXAQSY-UHFFFAOYSA-N 435.868 4.612 5 20 IIBD CC[C@H](C)c1nnc(N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1CC 549035771 JBUKUJFUEHMEOP-ZDUSSCGKSA-N 426.443 4.065 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CC[C@@H](c4ccccc4)C3)n2C[C@H]2CCCCO2)c1 549651725 SPWBHZPSSDWSDZ-IFMALSPDSA-N 433.512 4.416 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(CCc1ccccc1)[C@@H]1CCOC1 550271434 RQXSJRJOZVXVGE-MRXNPFEDSA-N 433.302 4.140 5 20 IIBD Cn1ccnc1[C@@H](NCc1nccn1CCCc1ccccc1)c1ccc([N+](=O)[O-])cc1 552042627 QYTXESPJSVCCGN-QHCPKHFHSA-N 430.512 4.037 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccc(Br)cn2)cs1 552114170 QYPJFMQIHCFUHV-UHFFFAOYSA-N 435.259 4.137 5 20 IIBD NS(=O)(=O)c1cccc(N[C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] 553262283 OUSJPIJAGKRBKW-ZIAGYGMSSA-N 429.420 4.009 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)c1Br 553347543 YPYWKQUSIOCENP-JTQLQIEISA-N 448.243 4.197 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@](F)(c2cccc(Cl)c2)C1 558722343 DPKVJAALJJESRO-OAQYLSRUSA-N 429.835 4.273 5 20 IIBD O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1CCOC[C@@H]1[C@H]1CCCO1 561165284 KOMYSWUNUHCHKU-QZTJIDSGSA-N 448.928 4.419 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC([C@H](F)c2ccccc2F)CC1 567973050 UJKJLQSMKBDLJW-FQEVSTJZSA-N 431.439 4.184 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 574235183 HLNGPJPBRHKUIC-GFCCVEGCSA-N 442.299 4.248 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)Nc2nnc(C)n2C2CC2)cc1[N+](=O)[O-] 574421470 AFFCUGYTHHOYKD-UHFFFAOYSA-N 437.481 4.035 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1c2ccccc2CC12CCOCC2 575323858 HYRUKAQOBDLBFL-XOBRGWDASA-N 430.888 4.226 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNCc3cnc4n3CCCC4)o2)c(Br)c1 585744140 HEWLUXRDNDECIL-UHFFFAOYSA-N 431.290 4.440 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC4(CCC4)CC3)cc2)cc1[N+](=O)[O-] 586828475 LBTQACNYGBNEIK-UHFFFAOYSA-N 443.525 4.110 5 20 IIBD CN(Cc1ccc2c(c1)OCCO2)C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 602160189 LJYOPIUEPBYSJP-UHFFFAOYSA-N 442.415 4.136 5 20 IIBD CCOc1cc(NC(=O)C(=O)N[C@H](CC)c2cccc(Cl)c2)c([N+](=O)[O-])cc1OCC 603714750 AISZUDRRJVPCRH-OAHLLOKOSA-N 449.891 4.252 5 20 IIBD O=C(c1cc(-c2ccco2)nn1-c1ccccc1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 603763426 LKQFKUMESHYTSV-UHFFFAOYSA-N 443.463 4.003 5 20 IIBD Cc1nc(C)c(-c2csc(NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)n2)s1 603770259 WZGUYNHNVMZLOL-UHFFFAOYSA-N 426.483 4.230 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc2ccc(C(F)(F)F)cc2[nH]1 603938272 SKZNLCYLQGCVRM-UHFFFAOYSA-N 426.376 4.229 5 20 IIBD CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1 603982675 PHRHMNQSVRLNAE-UHFFFAOYSA-N 439.921 4.276 5 20 IIBD CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1Cl 603987413 OTEUYXYUDBJDSE-UHFFFAOYSA-N 449.891 4.436 5 20 IIBD Cc1sc(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)nc1-c1cccc([N+](=O)[O-])c1 603996826 HLJXIHFHJWDYJM-HNNXBMFYSA-N 442.522 4.332 5 20 IIBD O=C(Nc1cccc(-c2n[nH]c3c2CCCC3)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 604240700 OFTDJDAAZYAGQK-UHFFFAOYSA-N 428.452 4.302 5 20 IIBD CN(Cc1ccccc1)c1ccccc1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 604441729 QROIWTSPLNAXKP-UHFFFAOYSA-N 428.452 4.064 5 20 IIBD COc1cc(C)ccc1Oc1ccc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cn1 608937379 SAQMHPBFUCCXAW-UHFFFAOYSA-N 437.408 4.123 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1cccc2c1CN([C@@H](C)C(C)C)C2 609041678 OBXNPYMNXHGHIV-HOTGVXAUSA-N 426.517 4.403 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 609293049 XQAFZLGYELXVPP-GOSISDBHSA-N 442.274 4.366 5 20 IIBD CCSc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 609504876 ITVKDAGZPOKWIB-CJNGLKHVSA-N 433.555 4.250 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC[C@H]1OCCc2ccccc21 609580733 PKFVILNHPFRMRH-MRXNPFEDSA-N 426.416 4.136 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc3nn(C(C)C)cc3c2)ccc1[N+](=O)[O-] 609880511 KEXMZXVIVGQXNC-OAQYLSRUSA-N 435.484 4.077 5 20 IIBD COc1cc(C(=O)Nc2ccn([C@H](C)c3ccccc3)n2)c([N+](=O)[O-])cc1OC(F)F 610746329 ZHKVBOXQVZWGMU-GFCCVEGCSA-N 432.383 4.263 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CCN(c2cccc(O)c2)CC1 611198606 BZBLGYHZFLDRQI-UHFFFAOYSA-N 427.526 4.298 5 20 IIBD C[C@H]1CN(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C[C@@H](C)O1 611198969 YDEBRRDEYKJDIT-IYBDPMFKSA-N 435.590 4.247 5 20 IIBD O=C(COc1c([N+](=O)[O-])cnc2ccc(Br)cc12)c1ccc2c(c1)COC2 612661311 YKOKYROCMHOPPQ-UHFFFAOYSA-N 429.226 4.197 5 20 IIBD CC(=O)Nc1cccc2c1CCN(C(=O)c1cc(F)cc3c(=O)c4cc(F)ccc4[nH]c13)C2 681966963 BGXAIRXEQQECCM-UHFFFAOYSA-N 447.441 4.116 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 725812347 CHWLDRCFSLRHJC-YOEHRIQHSA-N 431.493 4.037 5 20 IIBD C[C@@H](OC(=O)Cc1csc(C(C)(C)C)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 726834404 GEGCJPNJKIXMLC-SNVBAGLBSA-N 425.894 4.115 5 20 IIBD COC(=O)c1cc(C(=O)Oc2cccc(-c3nc4ccccc4n3C)c2)cc([N+](=O)[O-])c1 728224140 JZFNXVJPNHWBSI-UHFFFAOYSA-N 431.404 4.154 5 20 IIBD C[C@@H](c1ccccc1)c1ccc(OC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)cc1 728852847 PBWLXVQTYXMKGF-HNNXBMFYSA-N 425.462 4.369 5 20 IIBD C[C@@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C)N1C(=O)OC(C)(C)C 733116924 JKZDAHGTXFQCAJ-ZIAGYGMSSA-N 446.529 4.188 5 20 IIBD CC(C)CCSc1ccc(C(=O)Nc2cccnc2N2CCC(O)CC2)cc1[N+](=O)[O-] 733363477 UAJYUIKFDYMXBT-UHFFFAOYSA-N 444.557 4.341 5 20 IIBD COc1ccc(OC(=O)c2cc(Br)sc2Br)c([N+](=O)[O-])c1 734990780 AOFCXQCTLOKJNC-UHFFFAOYSA-N 437.065 4.409 5 20 IIBD O=C(Cc1ccccc1[N+](=O)[O-])Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1 735801083 JMDAGXCGOPIALH-UHFFFAOYSA-N 438.867 4.369 5 20 IIBD C[C@H]1C[C@@H](c2ccccc2F)N(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)C1 742422880 ONVVJXVCNLYTIF-YWZLYKJASA-N 433.505 4.106 5 20 IIBD Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 742866116 WPCIBWXPDUVDFQ-QFIPXVFZSA-N 437.540 4.367 5 20 IIBD CC(C)n1cc2cc(NS(=O)(=O)c3cc(Br)ccc3[N+](=O)[O-])ccc2n1 743261059 IPLUMYZDEWXFPE-UHFFFAOYSA-N 439.291 4.089 5 20 IIBD CCc1cnc(COC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)o1 744459624 ZTYDTSSAKAEEFX-UHFFFAOYSA-N 426.450 4.455 5 20 IIBD C[C@@H](CC(=O)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1C(F)(F)F 745216734 MNAFZYZLJFTKEW-ZDUSSCGKSA-N 436.386 4.240 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)c1 745390153 WTYJMWAAWHVMCH-KRWDZBQOSA-N 439.449 4.092 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl 747121990 CINBKEWKOLBLOT-LBPRGKRZSA-N 429.329 4.414 5 20 IIBD COc1cc(N2CCC(OC(=O)C[C@H](C)C(=O)c3cccc(F)c3)CC2)ccc1[N+](=O)[O-] 747123382 XGMRHYKJFLWGEV-HNNXBMFYSA-N 444.459 4.164 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)cccc1[N+](=O)[O-] 747522658 CWLXLPGRLWUVTP-VBNZEHGJSA-N 447.285 4.340 5 20 IIBD C[C@@]1(CNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCC[C@H]1O 748584108 DERQYIBJMQOKPE-KNQAVFIVSA-N 445.903 4.172 5 20 IIBD COC1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3N)cc2C(F)(F)F)CC1 749372492 GNSSMEDXWLSBDB-UHFFFAOYSA-N 438.406 4.063 5 20 IIBD Cc1ccc([C@H](C)NS(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)cc1[N+](=O)[O-] 751987984 QBHSYQSQIJWEJP-ZDUSSCGKSA-N 438.452 4.472 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@H]2[C@@H](NC(=O)OC(C)(C)C)CCC[C@H]2C1 752741727 SMDQRDVTRIRLIA-BBWFWOEESA-N 432.521 4.369 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@@H]2CC3(CCC3)Oc3ccccc32)c(C)c([N+](=O)[O-])c1 753141026 SLBSGOZXMAZLKO-QGZVFWFLSA-N 425.441 4.258 5 20 IIBD CC(C)n1ncc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1-c1ccccc1 753614935 GFQCQECHBMCQDE-UHFFFAOYSA-N 442.859 4.488 5 20 IIBD O=C(CCN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1)Nc1cc([N+](=O)[O-])ccc1F 753922284 ZUWXXUGNBKZVRT-GOSISDBHSA-N 442.274 4.443 5 20 IIBD CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754639504 JCZISHPBPOHJGI-UHFFFAOYSA-N 433.180 4.370 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)C2(c3ccccc3F)CCCC2)c([N+](=O)[O-])c1 755745692 LRNYRLIBUNZJOK-UHFFFAOYSA-N 430.432 4.126 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 758796082 QMUAUCURNVKATO-OLZOCXBDSA-N 445.438 4.379 5 20 IIBD COc1cc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)ccc1NC(=O)OC(C)(C)C 759678875 IOZNUOHWJFMRRE-UHFFFAOYSA-N 430.461 4.315 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3ccnc(OC(C)C)c3)CC2)ccc1[N+](=O)[O-] 759842963 HEOSBLGVFKSECR-UHFFFAOYSA-N 429.473 4.002 5 20 IIBD O=C(CCc1ncc(-c2ccc(F)cc2F)o1)O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 759933017 RLYCUJHHWSQPTB-IAGOWNOFSA-N 446.410 4.384 5 20 IIBD COc1cc(Br)c(C=O)cc1OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760292644 UDGSQEXEGPTYIX-UHFFFAOYSA-N 433.214 4.412 5 20 IIBD COc1ccc(/C=C2/C(=O)Nc3cc(Cl)c([N+](=O)[O-])cc32)c(Br)c1O 761014008 ZXAIZRBFLOKQPL-RUDMXATFSA-N 425.622 4.218 5 20 IIBD O=C(CCCc1cccc(Br)c1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 761425603 XKNHNOBLZPYSEP-UHFFFAOYSA-N 436.258 4.290 5 20 IIBD COCCOc1ccc(Cl)cc1-c1noc([C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 762258858 PEMIPKJOBLUKJV-SFHVURJKSA-N 444.831 4.189 5 20 IIBD Cc1cc(C(=O)COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c(C)n1CC(F)(F)F 762990730 SVIOYLNLJFSWDO-UHFFFAOYSA-N 444.381 4.418 5 20 IIBD O=C1CCc2cc(-c3csc(NC(=O)c4cc(F)c([N+](=O)[O-])cc4F)n3)ccc2N1 763382199 QWTTWAPFTUQLOE-UHFFFAOYSA-N 430.392 4.134 5 20 IIBD C[C@H](C(=O)O[C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 763400741 ANBBZWHAHHCNSK-NWDGAFQWSA-N 426.347 4.167 5 20 IIBD CCCOC(=O)c1cc(-c2cncnc2)ccc1NC(=O)c1cc(F)c([N+](=O)[O-])cc1F 763527778 PKKCMJFWDFBSGV-UHFFFAOYSA-N 442.378 4.149 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 763652882 XPKSRGCWUANJQW-CYBMUJFWSA-N 444.444 4.019 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCCC[C@@H]1C[C@H](O)c1ccccc1 764388380 AIJXTIFGHLBFFD-GGAORHGYSA-N 434.496 4.289 5 20 IIBD Cc1nn(CCC(=O)O[C@H](C)c2nc3cc(C(F)(F)F)ccc3n2C)c(C)c1[N+](=O)[O-] 764542323 YYCHUOBDIVYYDK-GFCCVEGCSA-N 439.394 4.008 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)OC1CCN(c2nncc3ccccc23)CC1 764665289 ZVLMVFSGDNUBFP-UHFFFAOYSA-N 438.509 4.476 5 20 IIBD COc1cccc(Br)c1OS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C 769907426 ZPNCOBRGTCHFIN-UHFFFAOYSA-N 436.667 4.095 5 20 IIBD O=[N+]([O-])c1cccc(-c2ncn(CN3CCC[C@H](c4nc(C(F)(F)F)cs4)C3)n2)c1 771867020 QCZPYAOPIURCBW-ZDUSSCGKSA-N 438.435 4.166 5 20 IIBD O=C(O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1ccn(-c2cccc([N+](=O)[O-])c2)n1 776136589 VZVOHAFSEJGITQ-OAQYLSRUSA-N 445.391 4.030 5 20 IIBD CCOc1cccc2c1OCC(C(=O)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])=C2 776136775 XOZSTSGSAQTKGE-JOCHJYFZSA-N 432.432 4.497 5 20 IIBD COc1cc(N2CCC(OC(=O)c3cc(C)n(C4CCCCC4)n3)CC2)ccc1[N+](=O)[O-] 776528171 TXYIJFXPDICNMA-UHFFFAOYSA-N 442.516 4.439 5 20 IIBD CCC[C@@H]1C[C@H](C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 780167049 VNGWKSRZNSJWCH-OUCADQQQSA-N 432.395 4.079 5 20 IIBD C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1ccc(I)c([N+](=O)[O-])c1 780277325 LNOUFLZEBWYSSV-SCZZXKLOSA-N 442.175 4.002 5 20 IIBD COc1ccc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)nc1Br 781826397 PNOGHFAOICRGJV-UHFFFAOYSA-N 449.286 4.161 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2Cc3ccccc3OC[C@@H]2C)c1=S 782289870 MWHINAXVWVYGTO-HNNXBMFYSA-N 425.514 4.250 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 783306200 UDAHXJDHTLESDU-CQSZACIVSA-N 426.860 4.074 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)NC(Cc1ccccc1)Cc1ccccc1 783317753 VEYCJLXLZMFKQF-UHFFFAOYSA-N 437.883 4.157 5 20 IIBD COc1ccc(OC)c([C@H]2C[C@H]2C(=O)OCc2ccc([N+](=O)[O-])cc2Br)c1 788194554 RMSBNOOOZPADLL-GDBMZVCRSA-N 436.258 4.221 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ccc(O[C@@H]3CCOC3)cc2)cc1)c1cccc([N+](=O)[O-])c1 789403528 MPXIQWQFGZJRDK-JOCHJYFZSA-N 448.431 4.234 5 20 IIBD C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)c1cccc([N+](=O)[O-])c1Br 791028436 UPZBBLBPIGFNHS-GFCCVEGCSA-N 448.273 4.147 5 20 IIBD COc1ccc(OC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 792116542 LOFONPASJSCZAI-OAHLLOKOSA-N 439.251 4.120 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 800152286 ZXLWOSSFLRBNIK-UHFFFAOYSA-N 425.338 4.440 5 20 IIBD O=C(OCCCC(=O)N1CCCCC1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 805544272 CWBPDBAOPJVYEW-UHFFFAOYSA-N 426.469 4.123 5 20 IIBD CC(C)(COc1ncccc1Br)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl 809919073 SOCCDUWLYFDPNT-UHFFFAOYSA-N 443.685 4.385 5 20 IIBD O=C(c1c(F)cccc1F)N1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 809940210 FUINFZCZLYHXRB-UHFFFAOYSA-N 430.238 4.138 5 20 IIBD C[C@@H](OC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(=O)N[C@H](C)c1ccc(F)cc1 811374492 IGAFZZCEICRBCJ-NXEZZACHSA-N 429.231 4.463 5 20 IIBD COc1cc(NCc2cccc(-c3nc(CC(F)(F)F)no3)c2)c([N+](=O)[O-])cc1OC 811846044 LTFRZANJIIERNG-UHFFFAOYSA-N 438.362 4.379 5 20 IIBD O=[N+]([O-])c1ccc(Oc2ccc(-c3noc(-c4cc(Cn5cccn5)on4)n3)cc2)cc1 813887235 GXTDVPLHTPATLD-UHFFFAOYSA-N 430.380 4.337 5 20 IIBD CC(=O)N[C@H](CC(=O)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1c(F)cccc1F 815205305 LBLBPKQLUJHGRT-MRXNPFEDSA-N 446.328 4.203 5 20 IIBD CC(C)(C)C(=O)Nc1nc(CC(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)cs1 815216405 ZBRYMAAAOLFLEN-UHFFFAOYSA-N 445.419 4.341 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1Cl 815511339 FWNQKWSNMVGRGF-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC12CCC2 816852678 WOFFIYZNNPFBKV-OAHLLOKOSA-N 437.924 4.229 5 20 IIBD Cc1c(C(=O)Nc2cccc(C3SCCS3)c2)nnn1-c1cccc([N+](=O)[O-])c1 818839346 YWELRXZWGVGJQT-UHFFFAOYSA-N 427.511 4.215 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccc(Cl)cc1 823304340 RZAZJXXTFGBLBT-OAHLLOKOSA-N 445.903 4.273 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)cc1[N+](=O)[O-] 875022471 AMTUUNKZKRXRGH-UHFFFAOYSA-N 434.380 4.389 5 20 IIBD NC(=O)c1ccc(COC(=O)C2(c3cccc(Br)c3)CCCC2)c([N+](=O)[O-])c1 900455205 ZKNXEKGKJQVGRW-UHFFFAOYSA-N 447.285 4.011 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(NC(=O)C2CCCCC2)c1 915246694 IGUFOJQMYLTNRW-UHFFFAOYSA-N 440.452 4.337 5 20 IIBD CN1CCCC[C@@H]1CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 915671210 OAAIJUSGXKYJRV-MRXNPFEDSA-N 437.949 4.318 5 20 IIBD Cc1sc2nc(CS[C@@H](C)C(=O)Oc3cccc([N+](=O)[O-])c3C)nc(O)c2c1C 917049926 DVUACLOXUMRIMV-LBPRGKRZSA-N 433.511 4.458 5 20 IIBD C[C@@H](OC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C(=O)Nc1ccccc1Br 917331135 KMWWIULFMCGYOR-SNVBAGLBSA-N 432.230 4.023 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)CCc2ccc(-c3ccccc3)[nH]2)c([N+](=O)[O-])c1 919598240 MGWMCCIVRNPPIQ-OAHLLOKOSA-N 437.452 4.102 5 20 IIBD Cc1ccc(S(=O)(=O)N(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c2ccc(O)cc2)s1 920152868 VXJHHJFYXDDCCL-XGICHPGQSA-N 444.490 4.106 5 20 IIBD Cn1c(CCNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])nc2ccccc21 1116843161 XGIIQRFKAZTUTH-UHFFFAOYSA-N 430.464 4.033 5 20 IIBD O=C(NCCCCN1CCC(Cc2ccccc2)CC1)N1Cc2ccc([N+](=O)[O-])cc2C1 1252255836 JTRDKNOCBKRHPT-UHFFFAOYSA-N 436.556 4.355 5 20 IIBD O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)N1Cc2ccc([N+](=O)[O-])cc2C1 1318829397 RDWICHGURVMEIN-UHFFFAOYSA-N 440.463 4.068 5 20 IIBD Cc1ccc(NCCCNC(=O)N2CCC(C(=O)c3cccs3)CC2)c([N+](=O)[O-])c1 1319015853 HUOTUPJQSREMIK-UHFFFAOYSA-N 430.530 4.071 5 20 IIBD COc1cc(CNC2CCC3(CCOCC3)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F 1319463845 OWRFTSCAMRYJHC-UHFFFAOYSA-N 432.439 4.374 5 20 IIBD Cc1c(I)cccc1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 1319952406 GVKOVRUQPPTIRI-UHFFFAOYSA-N 433.205 4.308 5 20 IIBD COc1ccc(-c2noc(CCCc3nc(-c4cc(C)c([N+](=O)[O-])cc4C)no3)n2)cc1 1320326304 GHYMVYUJXVXCMG-UHFFFAOYSA-N 435.440 4.496 5 20 IIBD CC(C)CC(=O)N1CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 1322668838 BWLAMWIRDVRMQA-UHFFFAOYSA-N 427.526 4.077 5 20 IIBD O=C(NCC(F)(F)F)C1CCN(Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 1323291065 NTSFCFWAHPAITQ-UHFFFAOYSA-N 445.825 4.399 5 20 IIBD CN(Cc1ccc(C(N)=O)cc1)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 1327420535 RLYFHSPLJAUCRN-UHFFFAOYSA-N 441.491 4.178 5 20 IIBD c1ccc2c(c1)cc(-c1nnc(Cc3csc(N4CCOCC4)n3)o1)c1ncccc12 1329060126 AHSJBOFOBPABKT-UHFFFAOYSA-N 429.505 4.322 5 20 IIBD Cc1ccc(-c2nnc(N(Cc3cccc([N+](=O)[O-])c3)C3CC3)n2C[C@@H]2CCOC2)cc1 1346329026 WCPWVWNLMHSVNO-IBGZPJMESA-N 433.512 4.367 5 20 IIBD Cc1cnoc1C(=O)NC1(c2ccc(NC(=O)CCc3cccc([N+](=O)[O-])c3)cc2)CCC1 1786602900 ZWYDFWFIGJHLAH-UHFFFAOYSA-N 448.479 4.272 5 20 IIBD CC[C@@H](C(=O)NC1(c2ccc(NC(=O)c3nc[nH]c3[N+](=O)[O-])cc2)CCC1)c1ccccc1 1788611789 QIWDYWSPHXIWMF-LJQANCHMSA-N 447.495 4.259 5 20 IIBD COc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@@H]4C4CC4)CCC3)cc2)ccc1[N+](=O)[O-] 1792163950 NOOLEOMTICYSLN-WOJBJXKFSA-N 449.507 4.397 5 20 IIBD Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(F)c2[N+](=O)[O-])cc1Cl 1800526760 QVUGGORSWRMJCW-MUJYYYPQSA-N 445.878 4.261 5 20 IIBD Cc1ccc([C@@H](C)C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C3)cc1 1801775192 YLVGIXKZQJIUDT-TWHAJKEOSA-N 449.551 4.278 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 10051131 YZNHYPZGYXMNBY-UHFFFAOYSA-N 445.781 4.129 5 20 IIBD O=C(COC(=O)CSCc1cccc(Cl)c1)Nc1cc(Cl)ccc1[N+](=O)[O-] 10147102 QLKHFMCOQZQJLX-UHFFFAOYSA-N 429.281 4.317 5 20 IIBD CNc1snc(C)c1C(=O)O[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 16551679 IYJRYYIURSHJLU-GOSISDBHSA-N 440.481 4.247 5 20 IIBD CNc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1[N+](=O)[O-] 16992369 HLSOJJOYTUNTGU-SECBINFHSA-N 445.781 4.493 5 20 IIBD COc1ccccc1CCNC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 17845279 DVUZUQDATBNDMK-UHFFFAOYSA-N 429.523 4.492 5 20 IIBD CN1CCN(c2ccc(Cl)cc2NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 28007146 MJAXCKOVTQHRSE-UHFFFAOYSA-N 430.917 4.467 5 20 IIBD CSc1ccc(NC(=O)[C@H](C)OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 28775094 BXXWECZSRJDAHM-INIZCTEOSA-N 446.528 4.447 5 20 IIBD COc1cc(C(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)c([N+](=O)[O-])cc1OC 58234104 HUEYILLONCAFJE-OAHLLOKOSA-N 449.463 4.355 5 20 IIBD COc1cc(I)c(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1 71880041 SHBJMPRJEHJQQF-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD COc1ccc(OC(=O)c2sc(-c3ccc(OC)c(OC)c3)nc2C)c([N+](=O)[O-])c1 105039322 DMVNIAQOFYMQEE-UHFFFAOYSA-N 430.438 4.272 5 20 IIBD O=C(NC1CC1)c1ccc(NCC2(c3ccc(Cl)cc3)CCOCC2)c([N+](=O)[O-])c1 301097828 NOKWUTAQPMMIAW-UHFFFAOYSA-N 429.904 4.301 5 20 IIBD COc1ccc(-n2c(Sc3ncc(Cl)cc3[N+](=O)[O-])nnc2-c2ccncc2)cc1 301753083 VXJZNEGGUHAXRQ-UHFFFAOYSA-N 440.872 4.446 5 20 IIBD Cc1cc(Br)cc(Cl)c1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 303336889 CMMXTFHQSSXHDP-UHFFFAOYSA-N 436.653 4.152 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1ccccc1CC(F)(F)F 303952184 IRQUGMPKYBHSRM-UHFFFAOYSA-N 439.209 4.263 5 20 IIBD Cc1ccc(-n2nccc2NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)nn1 427127738 HFQXTAJSDMDEAK-UHFFFAOYSA-N 432.465 4.282 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(Cc1ccc(F)cc1)C1CCOCC1 427736735 YORSIYRFSPLLMY-CQSZACIVSA-N 436.867 4.362 5 20 IIBD CC1(C)[C@@H](NC(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C[C@H]1O 428327610 UNNBEHOHTUYDKX-BHMPTGKFSA-N 437.521 4.411 5 20 IIBD Cc1ccc([C@H](C)NC(=O)Nc2ccc(C(=O)N(C)C3CCOCC3)cc2)cc1[N+](=O)[O-] 429165378 SUYKKPAZIPBNLC-INIZCTEOSA-N 440.500 4.037 5 20 IIBD COc1ccc(Br)c(CN(C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 429297251 SXVWLCJKYNICRT-UHFFFAOYSA-N 433.262 4.048 5 20 IIBD COC(=O)c1nc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)sc1C1CC1 429499033 CJEQETBPUOVNFI-UHFFFAOYSA-N 444.513 4.204 5 20 IIBD Cc1c(NC(=O)c2ccccc2OC[C@@H]2CCCO2)cc(Br)cc1[N+](=O)[O-] 431183857 QZIBECVBQMVIBW-AWEZNQCLSA-N 435.274 4.476 5 20 IIBD COc1ccc(CSCC(=O)Nc2cnn(-c3ccccc3F)c2C)cc1[N+](=O)[O-] 435372635 KQHCIMFVSOEEFH-UHFFFAOYSA-N 430.461 4.109 5 20 IIBD CCc1ccc([C@H](CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)N(C)C)cc1 435835552 NGDRGQNODSCSMM-QFIPXVFZSA-N 431.511 4.416 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)C(c1ccccc1)c1ccccc1 439754941 HIWZHGDAGQQFJZ-KRWDZBQOSA-N 447.491 4.269 5 20 IIBD COC[C@@H]1CN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C[C@@H](C)O1 439953171 WETJLHNFJAZEOY-HIFRSBDPSA-N 436.917 4.275 5 20 IIBD O=C(N1CCCC1)N1CCC(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1 440609722 FSMSZISLQGKVQG-UHFFFAOYSA-N 436.512 4.056 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCn2c(nnc2-c2ccccc2)C1 440628883 YTFUHBHKZGJXRP-UHFFFAOYSA-N 441.447 4.302 5 20 IIBD O=C(NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 444920100 KSJOBJOSZQCWRO-LKFCYVNXSA-N 429.317 4.219 5 20 IIBD CC(C)c1nc2ccccc2n1Cc1noc(-c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)n1 445657982 PNCRIKNCUDKZNE-UHFFFAOYSA-N 429.440 4.352 5 20 IIBD NC(=O)c1c[nH]c(-c2noc(-c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)n2)c1 445811086 PFTFGRBXDZOOID-UHFFFAOYSA-N 425.788 4.185 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N(C)[C@H](CCO)c2ccccc2)c([N+](=O)[O-])c1 446857478 VIZPXJFCGOCBJA-OAQYLSRUSA-N 448.475 4.172 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)NCC1(c2ccc(C(F)(F)F)cc2)CC1 446898261 ARIOMUALLYZVGU-UHFFFAOYSA-N 433.390 4.021 5 20 IIBD C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 460345911 IGTZJQOHSRQUTK-XIKOKIGWSA-N 437.315 4.399 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(c1nnc(CCC3CCCCC3)n1C[C@H]1CCOC1)CC2 461566812 AMSBVRJZGFJBTE-LJQANCHMSA-N 439.560 4.298 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC(OCc2ccccc2)CC1 462443776 ZSPGOFHNZUXNKE-UHFFFAOYSA-N 445.324 4.272 5 20 IIBD CCc1cnc(CNc2ccc(S(=O)(=O)NC3CCC(C)CC3)cc2[N+](=O)[O-])s1 462936056 NBSFOOLGHXMUGZ-UHFFFAOYSA-N 438.575 4.083 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl 464204181 GOBKTJVPLBSTFS-HSZRJFAPSA-N 438.867 4.468 5 20 IIBD Cc1nn(C)c2c1N(C(=O)c1cccc(Sc3ccc(Cl)cc3)c1[N+](=O)[O-])CCO2 466873961 MDQWUSQCCXBYHC-UHFFFAOYSA-N 444.900 4.481 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NCc1nccn1CCCc1ccccc1 467229266 KRRZDQXBUXBULJ-UHFFFAOYSA-N 427.892 4.077 5 20 IIBD O=C(NCCSCCCO)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 467540292 PACRPAHWUUMTEH-UHFFFAOYSA-N 426.947 4.245 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)cc1[N+](=O)[O-] 470256283 URHCCXXAFZKIDD-XMSQKQJNSA-N 430.526 4.182 5 20 IIBD CCOc1cc(C(=O)N2CCn3c(cc4ccc(Cl)cc43)C2)c([N+](=O)[O-])cc1OC 470388131 HDXFJNDQXMOWEY-UHFFFAOYSA-N 429.860 4.266 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 470944331 JMUNGVVRIUORQV-HNNXBMFYSA-N 434.452 4.132 5 20 IIBD COC[C@@H](Cc1ccccc1)NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 471611838 QTZUTLYPLHRLCS-FXAWDEMLSA-N 434.496 4.150 5 20 IIBD CCC(CC)(CCO)CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 475929534 MACSADAULOMBIF-UHFFFAOYSA-N 429.304 4.006 5 20 IIBD O=C1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 478482556 HPYFZYBWATUIMC-LRDDRELGSA-N 437.283 4.061 5 20 IIBD Cc1[nH]nc(C(=O)NCc2ccc(OCCSc3ccc(Cl)cc3)cc2)c1[N+](=O)[O-] 478699594 ICIJWSIUTCZGCF-UHFFFAOYSA-N 446.916 4.381 5 20 IIBD C[C@H](Sc1nnc(COc2ccccc2)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 479720832 YOHLYUUKPPTGKD-LBPRGKRZSA-N 447.904 4.075 5 20 IIBD O=C(Nc1ccc(Cl)cn1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 482086090 CGYBQYVOXIPWPB-UHFFFAOYSA-N 429.786 4.016 5 20 IIBD CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C[C@]2(CCCOC2)O1 482854886 GVAOYVOTMLUOCE-QHCPKHFHSA-N 426.469 4.187 5 20 IIBD Cc1ccccc1COc1cccc(NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)c1 484061553 XTESEXFHNVOWAY-KRWDZBQOSA-N 433.464 4.239 5 20 IIBD CN(C(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N)cc1Cl)C1CCCCC1 486785643 CZARREOPOPSXAZ-UHFFFAOYSA-N 430.892 4.487 5 20 IIBD COc1cc(CNc2ccc3c(c2)N(C(N)=O)CC3)ccc1OCc1ccc([N+](=O)[O-])cc1 487188322 FTMOFJSGPCWPDK-UHFFFAOYSA-N 448.479 4.236 5 20 IIBD CS(=O)(=O)c1cc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)ccc1Cl 487307468 JFOLFCRTOQWJIB-UHFFFAOYSA-N 444.871 4.130 5 20 IIBD CC(C)(C(N)=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1 489577277 LSBBDWFHTXVUSS-UHFFFAOYSA-N 432.480 4.222 5 20 IIBD O=C(N[C@@H]1CCC[C@@H](c2ccccc2)C1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 489642926 RUUBEPWLVBBCKB-KURKYZTESA-N 427.526 4.104 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 491533358 YNTJOXPMYXPTCB-OAHLLOKOSA-N 439.537 4.410 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1ccc(Cl)cc1OCC(F)F 497546751 UZFRQOYYTJAEDC-UHFFFAOYSA-N 425.779 4.090 5 20 IIBD O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCO[C@H](c2ccc(Br)cc2)C1 497636897 GKLLELGJXOQQGX-HNNXBMFYSA-N 425.666 4.224 5 20 IIBD CCCCN(C)CC1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1 498524406 FOLZYCIXPXPLHY-UHFFFAOYSA-N 430.593 4.415 5 20 IIBD CC(C)c1ccc(C[C@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 500202567 PQEIBDCKCZXPKN-MAUKXSAKSA-N 429.542 4.132 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2nc3c(F)c(F)ccc3s2)ccc1[N+](=O)[O-] 500633296 KURYYPSJUXKKDB-AWEZNQCLSA-N 446.435 4.034 5 20 IIBD CN(Cc1ccc(Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 505356308 UORLQKWKWIWSRQ-GOSISDBHSA-N 432.542 4.304 5 20 IIBD C[C@@H]1CCCN(C(C)(C)CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 507514736 ZLPDNTCOZLUJJD-QZTJIDSGSA-N 439.560 4.403 5 20 IIBD CCN(CC)C(=O)Cc1ccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 509212766 SRQWBEWJSPZTOC-UHFFFAOYSA-N 426.517 4.448 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)Nc2ccc3c(c2)COC3)cc1[N+](=O)[O-] 509917998 WPBROGULZZVECF-UHFFFAOYSA-N 431.448 4.174 5 20 IIBD Cc1cccc(Oc2ncccc2NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c1C 513310159 LGUWLBSEATYWPY-UHFFFAOYSA-N 441.465 4.055 5 20 IIBD Cc1ccc(SC2(CNC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)CCCC2)cc1 513837667 DORNBRPBCHFZRH-UHFFFAOYSA-N 448.566 4.142 5 20 IIBD O=C(Nc1cccc(C(=O)N2CCCc3c2cccc3[N+](=O)[O-])c1)[C@@H]1Cc2ccccc2O1 513840470 CGTZSZQHNUWTPA-QHCPKHFHSA-N 443.459 4.130 5 20 IIBD C[C@@H]1CCCN(Cc2ccc(CN[C@H](c3cccc([N+](=O)[O-])c3)c3nccn3C)cc2)C1 514090417 VDEONHZGFWKTNV-NTKDMRAZSA-N 433.556 4.439 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 516302329 FSOALXYUQFDUIQ-SFHVURJKSA-N 429.885 4.462 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1cccc(OCc2ccc(F)cc2)c1)c1cccc([N+](=O)[O-])c1 516442974 IJDNKHKAHJDHTR-OAHLLOKOSA-N 437.427 4.129 5 20 IIBD COc1cc(OCC(=O)N(C)c2ccc(Br)cc2Cl)ccc1[N+](=O)[O-] 520589565 WEGKAHOOKQAEBG-UHFFFAOYSA-N 429.654 4.061 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 521160797 IQNYONJBCRMEIX-UHFFFAOYSA-N 433.443 4.421 5 20 IIBD Cc1ccc(NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] 523713999 YWPSVIZWALEUIX-LPHOPBHVSA-N 435.402 4.470 5 20 IIBD Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1 524222790 OMHCZBHQGSPCOY-JOCHJYFZSA-N 438.915 4.134 5 20 IIBD COc1cc(C(=O)Nc2cc(Cl)ccc2Sc2nccn2C)cc([N+](=O)[O-])c1OC 525022295 SGRSOAWCBOKRQR-UHFFFAOYSA-N 448.888 4.402 5 20 IIBD O=[N+]([O-])c1cccc(N2CCN(Cc3ncc(-c4ccccc4Br)o3)CC2)c1 525120894 CCMYNUVBTGZRKA-UHFFFAOYSA-N 443.301 4.335 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1ccccc1Oc1cccc(F)c1 531293082 RBSYTSNNNMGCCV-GOSISDBHSA-N 441.463 4.075 5 20 IIBD C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 531717629 REOUCWKXTDZSKG-IRXDYDNUSA-N 447.495 4.310 5 20 IIBD O=C(NC[C@H]1CCCCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccccc1 533035713 TXMFERFMYSEIQR-OAQYLSRUSA-N 449.511 4.469 5 20 IIBD CC[C@H](c1ccccc1)N(CC(=O)OC)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 534154013 AHUNVEOXYVZJRB-LJQANCHMSA-N 439.493 4.485 5 20 IIBD COc1ccc(NC(=O)CN[C@@H](COc2ccccc2F)c2ccccc2)c([N+](=O)[O-])c1 537065303 IODJWIPFEHKAOE-FQEVSTJZSA-N 439.443 4.091 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCO[C@H](C(C)C)C1 537837358 QSDUPTXWMAACMW-YWZLYKJASA-N 449.529 4.020 5 20 IIBD CCC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)c1 538765305 KSJOBWSRUPUHTG-INIZCTEOSA-N 447.557 4.380 5 20 IIBD O=C(Nc1ccnc(OCC(F)(F)F)c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 539534212 KGSDNHHPVXUTGT-UHFFFAOYSA-N 439.268 4.124 5 20 IIBD COc1ccc(CN2CCCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 541408449 SLIQEHLEWVRPFH-UHFFFAOYSA-N 449.960 4.083 5 20 IIBD Cc1nc([C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)C2)n[nH]1 541708890 YMNQPYFNAKELRE-INIZCTEOSA-N 429.546 4.323 5 20 IIBD C[C@@H]1C[C@@H](CCNC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCO1 542274530 AEOAIXOTJUUQEX-CABCVRRESA-N 443.466 4.151 5 20 IIBD CNC(=O)c1cc(Oc2ccccc2NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)ccn1 543483110 HWKXIZNQILNDBW-CYBMUJFWSA-N 438.415 4.023 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 543641017 KGSLZOLDNNYFKH-UHFFFAOYSA-N 441.488 4.207 5 20 IIBD COc1cc(-c2noc(C(F)(F)c3ccc([N+](=O)[O-])cc3)n2)ccc1OC[C@@H]1CCCO1 545577173 VCFAGBIQXHWQFB-INIZCTEOSA-N 447.394 4.351 5 20 IIBD O=[N+]([O-])c1ccc2nc(O)cc(-c3nc(Cc4coc(-c5ccc(F)cc5)n4)no3)c2c1 545592276 OYKKCHPMUWOGOJ-UHFFFAOYSA-N 433.355 4.284 5 20 IIBD CCO[C@@H]1C[C@@H](NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)[C@@]12CCCO2 546057276 XATAECWPNUJDCT-SJBKTWHCSA-N 428.510 4.202 5 20 IIBD O=C(c1cc(C(=O)N2C[C@H]3CCC[C@@H](C3)C2)cc([N+](=O)[O-])c1)N1C[C@H]2CCC[C@@H](C2)C1 553295518 DIJJPUGUXOBYSC-VJANTYMQSA-N 425.529 4.119 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NC[C@@H]3CCOC[C@@H]3C)c([N+](=O)[O-])c2)c(C)c1 553644835 DIUAUQDHJXPZEZ-IRXDYDNUSA-N 433.530 4.097 5 20 IIBD O=C(Cc1ccccc1)N1CCc2ccc(Nc3ncnc4sc([N+](=O)[O-])cc34)cc21 555241374 MKTULWFYAXFZFU-UHFFFAOYSA-N 431.477 4.475 5 20 IIBD COc1ccc(-c2ccc(C)c(NC(=O)C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)c2)cn1 555279147 FJNHEGQNCXINIK-INIZCTEOSA-N 448.479 4.098 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]1c1ccc(Br)cn1 555512262 YIJHOKGWCGLLNG-SFHVURJKSA-N 433.306 4.226 5 20 IIBD COC(=O)c1cc(Br)c(OC)cc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 564219368 YHGKWISFNJDBIF-UHFFFAOYSA-N 449.213 4.151 5 20 IIBD COc1cccc(C2(c3noc([C@H]4CCCN4C(=O)c4ccc([N+](=O)[O-])c(C)c4)n3)CC2)c1 572165861 QOVFZMCDOABERM-HXUWFJFHSA-N 448.479 4.352 5 20 IIBD Cc1c(CNC(=O)C(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)C(C)C)cccc1[N+](=O)[O-] 575086024 DTOHYZIGUBJNKK-GOSISDBHSA-N 437.418 4.052 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCc3nccc(C(F)F)n3)cc2[N+](=O)[O-])n1 579633717 VPIXRHMHYOTTCZ-UHFFFAOYSA-N 437.453 4.169 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](c1ccc(C)cc1)c1ccc(OC)cc1 582330744 JSZOKRXOZMOTJO-QHCPKHFHSA-N 447.491 4.319 5 20 IIBD O=C(NCc1cccnc1OC1CCCC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 603741125 DVVRTAWXKAMFRG-UHFFFAOYSA-N 439.390 4.182 5 20 IIBD O=C(Nc1cccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1)c1ccccc1 603810594 RQOWXBGKTZBNMP-UHFFFAOYSA-N 427.420 4.285 5 20 IIBD Cc1cc(NCc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)ccc1[N+](=O)[O-] 603870971 GVHHYBKNTDKBDA-UHFFFAOYSA-N 429.473 4.133 5 20 IIBD CCOC(=O)c1cc(C(=O)N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)cc([N+](=O)[O-])c1 604519279 YYCYOECEMMJIPG-UWJYYQICSA-N 426.469 4.011 5 20 IIBD Cc1cccc(CC(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c1 608852521 KSXCYGGIQWITLY-UHFFFAOYSA-N 439.493 4.194 5 20 IIBD COc1ccc(Cn2cc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)cn2)cc1 609452567 ZBMNWSYVUJCPIX-UHFFFAOYSA-N 435.465 4.224 5 20 IIBD Cc1cc(CNC(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)n[nH]1 609595217 SICVEADRPKPQDC-LFIBNONCSA-N 433.493 4.483 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CCSC[C@H]3c3ccccc3)cc2)c(C)c1[N+](=O)[O-] 609652196 ALQODZHOONLDGK-NRFANRHFSA-N 436.537 4.387 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(OCC3CCOCC3)cc2)c([N+](=O)[O-])cc1OC 609908552 BTEPXDFYPDDNDL-UHFFFAOYSA-N 430.457 4.060 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1Cc1ccccc1 610103494 BFNUEYRJOORGRN-UHFFFAOYSA-N 431.492 4.263 5 20 IIBD CCCCN1C(=O)CC[C@@H](C(=O)N(C)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(OC)cc1 611090729 IBWZOSICFWEPLO-FYYLOGMGSA-N 439.512 4.346 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N2C[C@@H](C(F)(F)F)CC[C@@H]2C)cc1[N+](=O)[O-] 611542329 IDOYDBUGQSSNOX-WPRPVWTQSA-N 445.257 4.017 5 20 IIBD C[C@@H](C(=O)N1CCc2c(F)cc(Br)cc2C1)c1ccc([N+](=O)[O-])cc1F 612478793 HZBLJWTVRVGPRI-SNVBAGLBSA-N 425.229 4.324 5 20 IIBD CN(CC(=O)N1CCCC1)C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 613443269 QXLMYYQZCMRPCY-UHFFFAOYSA-N 433.917 4.094 5 20 IIBD O=C(OCc1ccccc1)c1cccc(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c1 727397682 KYDBIGIGWHJBAQ-UHFFFAOYSA-N 429.432 4.363 5 20 IIBD COc1ccc(CC(=O)OCC(=O)c2cc(C)n(Cc3ccccc3)c2C)cc1[N+](=O)[O-] 727884533 XDTAFFAGRFYMQN-UHFFFAOYSA-N 436.464 4.039 5 20 IIBD O=C(COC(=O)C[C@@H](c1ccccc1)C(F)(F)F)Nc1cc(Cl)ccc1[N+](=O)[O-] 728653234 JHNGGHGFSFQOJO-ZDUSSCGKSA-N 430.766 4.466 5 20 IIBD COc1ccnc(COC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)c1 730292956 KWSWFVXMSJOIKT-UHFFFAOYSA-N 438.461 4.308 5 20 IIBD COc1cc(C)sc1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 733838689 BOWNJSCVOQNFPN-VIFPVBQESA-N 432.376 4.176 5 20 IIBD Cc1nn(C)c2nc(C3CC3)cc(C(=O)OCc3cnc(-c4ccc([N+](=O)[O-])cc4)o3)c12 735444008 SZXQAKMEOZMLHI-UHFFFAOYSA-N 433.424 4.074 5 20 IIBD Cc1occc1C(=O)Nc1nc(CC(=O)OCc2ccc(Cl)c([N+](=O)[O-])c2)cs1 735800969 GZPUANSJHFSBPC-UHFFFAOYSA-N 435.845 4.144 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)O[C@H]1CCN(c2ccc(Cl)cc2)C1=O 740212585 REUOPUZBFKNDMW-QFIPXVFZSA-N 446.890 4.157 5 20 IIBD Cc1ccsc1C(=O)Nc1ccc(OC(=O)CN(C)c2ccccc2[N+](=O)[O-])cc1 742636451 PUUPCQOBMYTFRP-UHFFFAOYSA-N 425.466 4.259 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(Cn3ncn(-c4cccc(Cl)c4)c3=S)CC2)cc1 743391805 ZSLUTQHHJLXGRJ-UHFFFAOYSA-N 445.932 4.466 5 20 IIBD COC(=O)[C@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl 744619351 UHJBXGHLGOXMDV-MRXNPFEDSA-N 430.265 4.451 5 20 IIBD Cc1c(C(=O)O[C@@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748947513 MPTHYXLAEKMKPB-WFASDCNBSA-N 441.440 4.033 5 20 IIBD O=C(CCc1ccccc1Br)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 750426340 BTMYXKNYLYLRGC-UHFFFAOYSA-N 448.317 4.145 5 20 IIBD COc1ccc(CCC(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1Cl 750426556 FUGXYBZGZPEZCY-UHFFFAOYSA-N 433.892 4.044 5 20 IIBD Cc1cccc(C)c1OC[C@@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754993134 HIEKIUNVFQTQIW-GFCCVEGCSA-N 425.254 4.311 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)OCc2noc(-c3cccc(Cl)c3)n2)cc1OC 756347452 BMEYYBNUEFYFJI-UHFFFAOYSA-N 433.804 4.063 5 20 IIBD C[C@H](OC(=O)c1cncc(-c2ccc(Cl)cc2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 758106942 FNXSIAQMKASQBZ-ZDUSSCGKSA-N 425.828 4.494 5 20 IIBD O=C(Cc1csc(Cc2ccccc2)n1)O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 759948303 MXTXIZHJVNSSOU-MSOLQXFVSA-N 426.498 4.108 5 20 IIBD C[C@@H]1Sc2ccc(C(=O)OCc3coc(-c4ccc([N+](=O)[O-])cc4)n3)cc2NC1=O 760451649 PDAKHVLBAHTJQF-NSHDSACASA-N 425.422 4.040 5 20 IIBD CN(C[C@@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1)C(=O)OC(C)(C)C 760821191 PNHZPQXFQVVUTG-INIZCTEOSA-N 430.505 4.329 5 20 IIBD Cc1cc(C)c(N2C[C@@H](c3nc(Cc4c[nH]c5ccc([N+](=O)[O-])cc45)no3)CC2=O)c(C)c1 762311024 YXESPKUCOHDTRQ-KRWDZBQOSA-N 445.479 4.496 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CC[C@H](c3ccc(OC)cc3)C2)c1=S 764952801 ALJIPNXUKQBGDQ-SFHVURJKSA-N 439.541 4.465 5 20 IIBD CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])c2cccnc12 766231995 OZQCXKGEZLGLBW-CYBMUJFWSA-N 447.403 4.276 5 20 IIBD O=C(COC(=O)c1cc(Br)ccc1Br)c1ccc([N+](=O)[O-])cc1 772759946 IHAGUCURLOEBJK-UHFFFAOYSA-N 443.047 4.160 5 20 IIBD COC(=O)c1cc2ccc(OS(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])cc2o1 772983655 IQYPRJHNJFNZMR-UHFFFAOYSA-N 446.220 4.202 5 20 IIBD Cc1c(C(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])nnn1-c1ccccc1Cl 776132060 HVUGLTLGTGMXPU-NRFANRHFSA-N 449.854 4.479 5 20 IIBD O=C(CCc1nc(-c2cccs2)no1)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776139481 VULIAGIVCVKMNS-FQEVSTJZSA-N 436.449 4.367 5 20 IIBD COc1cc(COC(=O)[C@H]2C[C@H]2c2sccc2C)c([N+](=O)[O-])cc1OCC(F)F 780075369 ODJQMSMPFULHEK-OLZOCXBDSA-N 427.425 4.464 5 20 IIBD CCc1cc2c(COC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)cc(=O)oc2cc1O 781259565 GSXJALOUSBQYOI-UHFFFAOYSA-N 441.439 4.413 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1Cl 781260458 PHYGKHMGMOETMA-UHFFFAOYSA-N 436.851 4.139 5 20 IIBD O=[N+]([O-])c1cc(CN2CCc3c(ncn3-c3ccc(F)cc3)C2)ccc1Br 781528590 DFUQWZKRLOVKMI-UHFFFAOYSA-N 431.265 4.240 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCC1(c2ccccc2Br)CC1 781648225 GXFREUJVJFAHEE-UHFFFAOYSA-N 448.273 4.046 5 20 IIBD C[C@@H]1CCCCN1CCC1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)CC1 782173722 IEQMLFPANNDMJT-OAHLLOKOSA-N 438.366 4.474 5 20 IIBD COc1ccc(NC(=O)C(=O)Nc2cccc(OCc3ccc(C)cc3)c2)cc1[N+](=O)[O-] 784790728 QZQCWUYVUNDGPY-UHFFFAOYSA-N 435.436 4.068 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(C(F)(F)F)cc1 788516637 VJVBMAPNZOTWQI-SECBINFHSA-N 436.795 4.068 5 20 IIBD COc1ccc(OC(=O)C2(c3ccc(Br)cc3)CCOCC2)cc1[N+](=O)[O-] 792113899 QPKAIUCOFGEBMP-UHFFFAOYSA-N 436.258 4.020 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCc1cc(COC(C)(C)C)on1 793229597 NWDJIUJZBIJMOG-UHFFFAOYSA-N 427.251 4.326 5 20 IIBD COC(=O)Nc1cccc(NCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])c1C 797851876 JOMMDQCJCYIAAS-UHFFFAOYSA-N 425.388 4.346 5 20 IIBD O=C(NC[C@@H](O)c1c(F)cccc1F)c1ccccc1Sc1ccccc1[N+](=O)[O-] 799693566 GIJNSTURTJOMJJ-QGZVFWFLSA-N 430.432 4.488 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC(c2ccc(Br)cc2)CC1 800121930 PBDCUVRNCHSUKZ-UHFFFAOYSA-N 437.265 4.281 5 20 IIBD O=C(Nc1ccccc1)c1cccc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)c1 803909787 QUZHYKJEKRTQPK-UHFFFAOYSA-N 434.404 4.071 5 20 IIBD COc1ccc2cc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)ccc2c1 804309560 JQVBBSHSSZBWGJ-QFIPXVFZSA-N 433.464 4.308 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N1CCC[C@@H](c2ccccc2)CC1 810360709 YDVJMRYVVUOJMY-OAHLLOKOSA-N 446.301 4.092 5 20 IIBD CC[C@H](C)Oc1cccc(NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c1 810393104 MRBDLVDPMHQYNT-NSHDSACASA-N 436.262 4.112 5 20 IIBD CSC[C@H](C)C(=O)N1CCC(C(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 811086339 UFDQGFCMJGNDDW-NSHDSACASA-N 449.356 4.183 5 20 IIBD COc1ccc2c(c1)OC[C@H](C(=O)OCc1csc(-c3cccc([N+](=O)[O-])c3)n1)C2 811214936 JUIJNRYNOVGFEE-OAHLLOKOSA-N 426.450 4.021 5 20 IIBD CC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 811375728 GUHWMTBTBDIIST-SECBINFHSA-N 425.224 4.288 5 20 IIBD CN(C[C@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1)C(=O)OC(C)(C)C 813440567 MVVBREGRKASJIS-LLVKDONJSA-N 432.304 4.231 5 20 IIBD COc1cc([N+](=O)[O-])ccc1COC(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1 815371897 OKSMSJYIRMJBLN-UHFFFAOYSA-N 445.859 4.358 5 20 IIBD CCc1c(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)[nH]c(C)c1C(C)=O 815511297 DDMPQPZOITVSCC-UHFFFAOYSA-N 426.347 4.055 5 20 IIBD Cc1cc(C(=O)NCc2nc(-c3ccc(Oc4ccccc4)nc3)no2)ccc1[N+](=O)[O-] 904446988 FGVQRBIBOIRZLA-UHFFFAOYSA-N 431.408 4.071 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC=C(c2c[nH]c3ncccc23)CC1 916994844 CYOLFDJQIDTGJZ-UHFFFAOYSA-N 431.496 4.391 5 20 IIBD CN(Cc1cccs1)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 917257450 OTDPXMRZFTWVRX-UHFFFAOYSA-N 426.450 4.264 5 20 IIBD CC(C)c1cc(N2Cc3ccc([N+](=O)[O-])cc3C2)nc(N2Cc3ccc([N+](=O)[O-])cc3C2)n1 1116746937 YSZZKWAJZXVHMJ-UHFFFAOYSA-N 446.467 4.457 5 20 IIBD O=C1Nc2ccccc2[C@H]1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 1318157897 VIUAGFTUZCRNJX-HSZRJFAPSA-N 448.523 4.173 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2cc(-n3cccc3)ccc2F)c1 1318356977 TVMXDNWINIKQLE-UHFFFAOYSA-N 440.250 4.088 5 20 IIBD CN1C(=O)C[C@H](C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])c2ccccc21 1324324500 KMPXZYFMPQNFCQ-IBGZPJMESA-N 431.448 4.263 5 20 IIBD O=C(NC1CCN(c2cccc(F)c2)CC1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 1328990324 SJUXNGZMSRFNAX-UHFFFAOYSA-N 426.492 4.123 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(c1nnc(C3CCCCC3)n1C[C@H]1CCCCO1)CC2 1515480921 VDVMFQUXAUUVDL-OAQYLSRUSA-N 425.533 4.366 5 20 IIBD Cc1ccc(C(=O)NC2(c3ccc(NC(=O)Cc4cccc([N+](=O)[O-])c4)cc3)CCC2)nc1 1785792526 PDKNLPKPHVUFNB-UHFFFAOYSA-N 444.491 4.289 5 20 IIBD O=C(/C=C/C1CC1)Nc1ccc(C2(NC(=O)Cc3ccc([N+](=O)[O-])cc3F)CCC2)cc1 1786160960 PTVLKKYTGQSYFY-NYYWCZLTSA-N 437.471 4.377 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccc(C2(NC(=O)c3nccs3)CCC2)cc1 1786206248 DCAYWRSZSNUXEL-SOFGYWHQSA-N 438.465 4.105 5 20 IIBD O=C(CCCc1cccnc1)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1 1790188475 VATJRNNDPFFWLN-UHFFFAOYSA-N 447.495 4.089 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 1793078180 JOTOWCHRHONGNC-REPLKXPHSA-N 433.936 4.009 5 20 IIBD CC[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)C3)CC1 1802021518 GRCICGKHPAFSIL-KADCCVMJSA-N 429.517 4.056 5 20 IIBD CC(C)C1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CSc2ccccc2[N+](=O)[O-])CCC1 1802185805 LUIJHGPCPFEQFL-BCDXTJNWSA-N 445.585 4.151 5 20 IIBD Cc1cc(Cl)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(F)c2[N+](=O)[O-])C3)c1 1803639910 BHCBFNWMVGBWFK-BJWYYQGGSA-N 445.878 4.261 5 20 IIBD C[C@@H]1CCC[C@H]1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])[nH]n1 1818959335 RWTSJUQUNKVQBD-HBUWYVDXSA-N 443.479 4.199 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccs2)[nH]n1)c1cc(F)cc([N+](=O)[O-])c1 1821164235 PJLQDINTOMWNJD-INIZCTEOSA-N 443.460 4.138 5 20 IIBD O=C([C@@H](F)c1ccccc1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823610187 AWVIFVVKEHRQBJ-RXVVDRJESA-N 443.475 4.132 5 20 IIBD Cc1csc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)c1 1824674584 XAVVGLDPJNCOAA-MRXNPFEDSA-N 431.514 4.105 5 20 IIBD CC(C)(C)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1826331845 XYIKDXBYOIVFBV-NRFANRHFSA-N 429.561 4.193 5 20 IIBD CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc([N+](=O)[O-])cc3F)CC2)CCC1 1831290191 BDKCNAGLQJLFAH-OAQYLSRUSA-N 445.535 4.086 5 20 IIBD CCOc1ccc(CC(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 9033242 KHLPUQFDXQMLPW-LBPRGKRZSA-N 440.374 4.125 5 20 IIBD COc1ccc(C(=O)OCC(=O)c2cc(C)n(Cc3cccs3)c2C)cc1[N+](=O)[O-] 11341994 FIHOQEIODRXUJO-UHFFFAOYSA-N 428.466 4.171 5 20 IIBD COc1ccc(C(NC(=O)CNc2cccc([N+](=O)[O-])c2C)c2ccc(OC)cc2)cc1 15320082 RWUNRCMFUBLDAS-UHFFFAOYSA-N 435.480 4.238 5 20 IIBD CC(=O)Nc1ccc(-c2csc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)n2)cc1 15991845 ALTLZPFILBJYFS-UHFFFAOYSA-N 428.495 4.408 5 20 IIBD NC(=O)c1ccc(COC(=O)c2ccccc2SCc2cccs2)c([N+](=O)[O-])c1 16131666 GPIPYYJDWIJVDG-UHFFFAOYSA-N 428.491 4.405 5 20 IIBD CCOC(=O)C1CCN([C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)CC1 16476400 PXNFUZNKFVFZFN-FQEVSTJZSA-N 445.903 4.203 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NC2CCN(C(C)C)CC2)c([N+](=O)[O-])c1 17281396 UCXFQBWVBPALDJ-UHFFFAOYSA-N 446.573 4.095 5 20 IIBD CCOC(=O)c1sc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1C 19681721 LBDGWBCXHPOQMN-UHFFFAOYSA-N 442.497 4.255 5 20 IIBD CCCn1c(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)nnc1-c1ccncc1 22177967 VHNPHBKLPKLUKW-AWEZNQCLSA-N 426.502 4.086 5 20 IIBD CCc1nc(COC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cs1 22265954 NDXKBNFLQZZZTK-UHFFFAOYSA-N 439.493 4.268 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)N(C)Cc1c(F)cccc1Cl 22496556 QIAXZELFRNUIHN-SNVBAGLBSA-N 429.231 4.245 5 20 IIBD CN(C)C(=O)c1ccc(NC(=O)COC(=O)c2c3ccccc3cc3ccccc23)cc1 23530710 CEYBBOWLTINNAI-UHFFFAOYSA-N 426.472 4.490 5 20 IIBD Cc1ccc(S(=O)(=O)NCc2ccccc2-c2ccc(CN(C)C)cc2)cc1[N+](=O)[O-] 24445318 MLUVFEANSLYPBX-UHFFFAOYSA-N 439.537 4.110 5 20 IIBD COCCN(CCOC)C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 28492935 JLISEVZGUTUIMY-UHFFFAOYSA-N 447.538 4.091 5 20 IIBD Cc1csc(Sc2ccc(C(=O)OCC(=O)N(C(C)C)C(C)C)cc2[N+](=O)[O-])n1 28808045 HCCJNNUILKRTEI-UHFFFAOYSA-N 437.543 4.313 5 20 IIBD CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1Cl 32246157 YTLLSKWWURWMAW-UHFFFAOYSA-N 441.875 4.168 5 20 IIBD C[C@@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1nnc2n1CCC2 58827994 JTGYUQHQDVTBGL-GFCCVEGCSA-N 427.848 4.069 5 20 IIBD COc1ccc(NC(=O)Cn2cc(Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cn2)cc1 64550768 UKPNQHILQUBDST-UHFFFAOYSA-N 435.362 4.201 5 20 IIBD Cc1noc(-c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3C(=O)c3ccccc3)cc2)n1 97075018 HWMVBPCKZAWLGW-UHFFFAOYSA-N 428.404 4.437 5 20 IIBD O=C(CCc1cnn(-c2ccccc2)c1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 107798399 YFSPICSUGJNCNH-UHFFFAOYSA-N 432.402 4.304 5 20 IIBD C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 117514978 VABXMQHJXGTOIN-IRXDYDNUSA-N 425.485 4.121 5 20 IIBD COc1ccc(-n2c(Sc3nc4sccn4c3[N+](=O)[O-])nnc2-c2ccco2)cc1 301716079 NCIRVSBMYNVGID-UHFFFAOYSA-N 440.466 4.305 5 20 IIBD COc1ccc(-c2ccc(C(=O)N3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)c(F)c2)cc1 303822997 YBYJZCRNPJMMRZ-KRWDZBQOSA-N 436.443 4.131 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCC(OC[C@@H]4CCCCO4)CC3)cc2[N+](=O)[O-])CC1 427137695 SXARLDTYOMTHBN-NRFANRHFSA-N 445.560 4.021 5 20 IIBD COCCOc1ccc(CC(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)cc1 428298231 DZYACGSAGMHHBW-UHFFFAOYSA-N 434.448 4.032 5 20 IIBD Cc1ccc([C@H](C)NC(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)cc1[N+](=O)[O-] 428819072 QVTANEYGWLKSNZ-POCHDABASA-N 429.492 4.176 5 20 IIBD COc1cc(CN(C)CC(=O)NC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])cc1F 429361185 DFAHXDQXKFVLJC-UHFFFAOYSA-N 437.471 4.080 5 20 IIBD Cn1cc(CN(Cc2ccc(Cl)cc2)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cn1 430273759 FWZSJDWFPLAPQV-UHFFFAOYSA-N 438.875 4.234 5 20 IIBD O=C(c1cc2ccccc2s1)N1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 432914112 CGPUVDGNXSXKPQ-UHFFFAOYSA-N 433.436 4.373 5 20 IIBD Cc1cc(C)nc(-n2nccc2NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)n1 433587983 RLYLMZKUUMJNJL-UHFFFAOYSA-N 429.440 4.183 5 20 IIBD CCCOc1cc(NC(=O)N2[C@H]3CC[C@H]2CN(CC)CC3)c([N+](=O)[O-])cc1OCCC 435075317 PIUJVBXZOCJWNI-IRXDYDNUSA-N 434.537 4.263 5 20 IIBD Cc1ccc(C(=O)N2CCC(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CC2)cc1 436346670 SWLKDWIYOWKZLI-UHFFFAOYSA-N 439.515 4.024 5 20 IIBD COc1cc(Oc2ccccc2)ccc1NC(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 438103683 ZATQUGXWVSOHGX-OAHLLOKOSA-N 435.436 4.212 5 20 IIBD COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444092150 CCOOTXWJVHLMMY-CPJSRVTESA-N 434.442 4.428 5 20 IIBD Cn1cnc(-c2ccc(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)cc2)n1 444293636 MBEALBRLMHWSAA-UHFFFAOYSA-N 431.402 4.007 5 20 IIBD CCO[C@@H]1C[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@@H]1Oc1ccccc1 444342577 XSFMLJTWIOTQBL-OYRHQHFDSA-N 428.488 4.036 5 20 IIBD C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 444410701 NHBNVMZOXJMMEA-AOMKIAJQSA-N 443.931 4.453 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C 444471343 GBBSGVURZKYWRP-MRXNPFEDSA-N 445.541 4.335 5 20 IIBD O=C(Nc1n[nH]c(-c2c(F)cccc2F)n1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444668781 DBFDWIZTBDIDPE-UHFFFAOYSA-N 435.365 4.136 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)NC1(c2noc([C@H]3CCCO3)n2)CCCCCC1 444919208 IBTMBSWJKNRIIO-MRXNPFEDSA-N 445.476 4.209 5 20 IIBD CSc1cc2c(cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)OCCO2 446155680 HAZYTDPPSKLXOI-UHFFFAOYSA-N 439.287 4.032 5 20 IIBD COc1ccc2[nH]cc(C3CCN(C(=O)NCc4nc5ccc([N+](=O)[O-])cc5[nH]4)CC3)c2c1 446902059 IBIMCTFRASAEML-UHFFFAOYSA-N 448.483 4.050 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCc2nc(C)c(-c3ccc(Cl)cc3)o2)cc1C 447650020 NXDGMTIEPPIWTR-UHFFFAOYSA-N 435.889 4.307 5 20 IIBD CCOCCCn1c(-c2cc(C)oc2C)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 460783788 FHNUSQXZBJXZNH-UHFFFAOYSA-N 425.489 4.052 5 20 IIBD O=C(c1cc(C(=O)N2CCC[C@H]3CCC[C@H]32)cc([N+](=O)[O-])c1)N1CCC[C@@H]2CCC[C@@H]21 461013300 FXQQSFREDFOZRQ-NEAWWFDSSA-N 425.529 4.404 5 20 IIBD CCOc1ccc([C@H](C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1OC 462436944 MLBRFJIJXSLCBW-JTQLQIEISA-N 449.312 4.348 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](CC(=O)N(C)C)c2cc(Cl)ccc21 462602661 NIMWLNVUVYSRBI-DLBZAZTESA-N 443.931 4.426 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NC[C@H](C)C(=O)OC(C)C)c([N+](=O)[O-])c2)c(C)c1 462957143 KSOAWUGHFXHTHL-INIZCTEOSA-N 449.529 4.012 5 20 IIBD COc1cc(CN2CCO[C@H](c3cccc(Br)c3)C2)c([N+](=O)[O-])cc1F 463513045 HUCROOOPVCSAGT-SFHVURJKSA-N 425.254 4.079 5 20 IIBD CCSc1cccc(Br)c1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 464710155 MCJSIVRPQWOSNN-UHFFFAOYSA-N 448.302 4.302 5 20 IIBD CC[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1nc(C(F)(F)F)cs1 465263452 ZDJFYRGAAVFIQL-ZDUSSCGKSA-N 425.392 4.137 5 20 IIBD O=C(NC[C@H](c1cccs1)N1CCCC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465421327 GHFXZUNWKHBBAP-HXUWFJFHSA-N 444.557 4.046 5 20 IIBD CCOc1cc(NC(=O)N[C@H](C)c2cccc(-n3cccn3)c2)c([N+](=O)[O-])cc1OCC 466667463 LLWBNKPLJZNJCZ-OAHLLOKOSA-N 439.472 4.461 5 20 IIBD Cn1ccc([C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c2ccc(Cl)cc2)n1 467229846 MAFCQPUMCPSCED-SFHVURJKSA-N 434.283 4.224 5 20 IIBD O=C(N[C@H]1CCc2n[nH]cc2C1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 467637663 CMTRMRQUQOKJTF-HNNXBMFYSA-N 428.901 4.410 5 20 IIBD COc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)cc1[N+](=O)[O-] 468358618 VEZGDXQWNUSCAQ-UHFFFAOYSA-N 426.878 4.237 5 20 IIBD CCOc1cc(Cl)ccc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 469490992 AFQDLTCELKVIFS-SFHVURJKSA-N 431.876 4.199 5 20 IIBD CCCC(=O)Nc1ccc(Cl)c(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 470400452 HCNYCRKYPJVKKN-UHFFFAOYSA-N 432.864 4.282 5 20 IIBD CC1(c2ccc(Cl)cc2)CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 470691328 WDQVBEDKZGJQOO-UHFFFAOYSA-N 425.876 4.023 5 20 IIBD COc1cccc(C=C2CCN(C(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CC2)c1 472980621 UBUSBQJEIPXYNO-UHFFFAOYSA-N 432.480 4.324 5 20 IIBD CCOc1cc(NC(=O)N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)c([N+](=O)[O-])cc1OCC 473644358 UXFMMIATSYCQCM-JKGBWWFKSA-N 449.529 4.355 5 20 IIBD CC1(c2cccc(Cl)c2)CCN(C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 474756658 MXFJEVAFJSGHET-UHFFFAOYSA-N 427.892 4.388 5 20 IIBD COc1cc(S(=O)(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)ccc1[N+](=O)[O-] 475829989 MLOTXUXLIYBHMR-UHFFFAOYSA-N 442.318 4.024 5 20 IIBD COc1cc(C(=O)N2CC[C@@H](c3ccccc3)C2)c([N+](=O)[O-])cc1OCc1cscn1 476177284 YSPKRSMFBBETQS-MRXNPFEDSA-N 439.493 4.269 5 20 IIBD CCOc1ccccc1NC(=O)[C@H](c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 477060417 OKXNONLLHMRXDN-NRFANRHFSA-N 440.477 4.147 5 20 IIBD O=C(NCc1c(F)cccc1OC(F)F)c1cccc2c(=O)c3cccc(F)c3[nH]c12 477328159 FSYACDRQVJQPON-UHFFFAOYSA-N 430.357 4.491 5 20 IIBD C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C[C@]2(CCOC2)O1 478400661 QWJQMDMHOXLSIC-QKKBWIMNSA-N 448.928 4.419 5 20 IIBD Cc1oc2ccc(NC(=O)N3CCN(C(=O)c4ccc([N+](=O)[O-])s4)CC3)cc2c1C 481649327 DCNKYAJHRQGWNV-UHFFFAOYSA-N 428.470 4.009 5 20 IIBD Cc1cccc(-c2noc(SCC(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])n2)c1 482935798 MLIKQSIONOEYTB-UHFFFAOYSA-N 432.889 4.058 5 20 IIBD COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])c1 483319291 AFKLMBQLUPHUPV-QGZVFWFLSA-N 446.525 4.155 5 20 IIBD CC(C)(C)[C@@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(F)cc1 483700420 NEIRQJMBWPDJLJ-FQEVSTJZSA-N 429.448 4.326 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CCO[C@H](COCC2CC2)C1 485559375 IIZHDQTZDIGNMU-IBGZPJMESA-N 434.558 4.145 5 20 IIBD CCC(CC)NC(=O)[C@@H]1CN(C(=O)c2cccc(SC)c2[N+](=O)[O-])c2ccccc2O1 486246170 ZKZWZUAPMIQXCX-SFHVURJKSA-N 443.525 4.029 5 20 IIBD Cc1cc(C)nc(-n2nccc2NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])n1 486300451 PPXIEEOWCZFVRC-UHFFFAOYSA-N 444.451 4.019 5 20 IIBD CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 486477518 ZGGAOMFOYVWEHR-FQEVSTJZSA-N 430.526 4.030 5 20 IIBD O=C(Cc1ccccc1)Nc1cc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)ccc1F 487008588 FIMFKTVEFRDRMV-UHFFFAOYSA-N 433.399 4.044 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 490043940 QPZRTKGRVVJSDT-UHFFFAOYSA-N 433.512 4.391 5 20 IIBD CS(=O)(=O)c1ccc(-c2nc(CN(Cc3ccc([N+](=O)[O-])cc3)C3CC3)cs2)cc1 490847477 UJYLROUAXRGKQB-UHFFFAOYSA-N 443.550 4.286 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CCC[C@H]1OCc1ccccc1 491033476 IEMSFDYGBZNPGM-RTBURBONSA-N 433.302 4.154 5 20 IIBD CCN(CC)C(=O)Nc1ccc([C@@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1 493440442 ASMRLCIEHPISQV-MRXNPFEDSA-N 448.545 4.125 5 20 IIBD Cc1cccc(CN(Cc2ccccn2)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1 493943985 GRPYUWLLYXZKOO-UHFFFAOYSA-N 425.510 4.306 5 20 IIBD O=C(Nc1cc(Br)ccc1-n1cncn1)c1cc2cc([N+](=O)[O-])ccc2s1 497758950 NTTBKQVOUGIXQP-UHFFFAOYSA-N 444.270 4.405 5 20 IIBD CC[C@@H](C)N[C@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccco1 503533394 SAVWDKXCGDMIHR-MLGOLLRUSA-N 428.411 4.135 5 20 IIBD COCCCn1c(SCc2c(F)cccc2[N+](=O)[O-])nc2cc(Cl)ccc2c1=O 504495370 DPTOURYPBAZGCN-UHFFFAOYSA-N 437.880 4.426 5 20 IIBD NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1 504839864 IDVCRKGGYZJTKM-UHFFFAOYSA-N 444.447 4.085 5 20 IIBD CCOc1ccc([C@H](C)N[C@H](c2cc(OC)cc(OC)c2)c2nccn2C)cc1[N+](=O)[O-] 504930752 SLEQVVJOUPYRHP-OYHNWAKOSA-N 440.500 4.184 5 20 IIBD O=C(NCc1ccccc1Cn1cncn1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 509050084 KCRABWWKKJLZSZ-UHFFFAOYSA-N 444.451 4.349 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2c(OC(F)F)ccc3ccccc23)CC1 509785295 GRRWWEVPVMSCNZ-UHFFFAOYSA-N 447.463 4.369 5 20 IIBD COc1ccccc1Oc1ccc(NS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1F 511699557 HQSMFWYVRYYHHV-UHFFFAOYSA-N 434.401 4.041 5 20 IIBD CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)NCCc1ccc([N+](=O)[O-])cc1 513152077 BRQDQZZDHDEQTD-UHFFFAOYSA-N 439.299 4.114 5 20 IIBD O=C(N1CCCc2c1cccc2[N+](=O)[O-])C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 513836929 QUQHFCNOOMEPCX-UHFFFAOYSA-N 448.928 4.314 5 20 IIBD CCOc1cc(NC(=O)C(=O)N(C)[C@@H](C)c2ccccc2Cl)c([N+](=O)[O-])cc1OCC 516019358 MHVBXDBNSRXQFF-ZDUSSCGKSA-N 449.891 4.204 5 20 IIBD COc1cc([C@H](C)NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OCCC(C)C 516431691 ZZFXMPQLYBXWBK-INIZCTEOSA-N 443.500 4.153 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 518176818 DBSJCAPLVQLAPC-CQSZACIVSA-N 446.887 4.372 5 20 IIBD Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)C2)cc1 518785858 YFSWOPHEHQIDJQ-MSOLQXFVSA-N 439.516 4.208 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C[S@](=O)C2CCOCC2)c1 522403083 DWAOUWBVNGLVPZ-JGVYIQDASA-N 448.566 4.142 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1Cc2ccccc2-c2ccccc2C1 523623444 HXHOKELZLCCWRC-UHFFFAOYSA-N 443.459 4.492 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN3CCN(Cc4nc5ccccc5s4)CC3)o2)c1 532777963 PCUQWGZYMULLSQ-UHFFFAOYSA-N 449.536 4.220 5 20 IIBD CSc1ccc(C(=O)Nc2cc(C(N)=O)ccc2NCc2ccccc2)cc1[N+](=O)[O-] 534466649 AICBTJRYCUMXQV-UHFFFAOYSA-N 436.493 4.280 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1ccc(Cn2cnc3ccccc32)cc1 534625327 XNLBPRVJLFOMEV-UHFFFAOYSA-N 439.475 4.333 5 20 IIBD Cc1cccc(NC(=O)[C@@H](C)[S@@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1C 534795422 AUKRSEWQDXNKRI-FOGNVHKLSA-N 427.482 4.143 5 20 IIBD O=[N+]([O-])c1ccccc1-c1ccc(CNc2cccc(N3CCS(=O)(=O)CC3)c2)s1 536099191 OYTFBOAFNFOJNX-UHFFFAOYSA-N 443.550 4.170 5 20 IIBD COc1ccc(C[C@H](C)CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 536493837 ZKWNOFGOIVHWGY-UONOGXRCSA-N 436.892 4.028 5 20 IIBD COc1cc(CCNC(=O)c2cc3ccc(C(F)(F)F)cc3[nH]2)c([N+](=O)[O-])cc1OC 537644221 LVZLNRLMJRSXBL-UHFFFAOYSA-N 437.374 4.085 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2O)ccc1[N+](=O)[O-] 537728234 CXNJKSSFFUURIF-MRXNPFEDSA-N 438.267 4.159 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(c2ccccc2F)C1=O 538221949 MPMTYLCHZBGOBA-KRWDZBQOSA-N 431.489 4.160 5 20 IIBD Cc1csc2ncc(C(=O)Nc3cc([N+](=O)[O-])ccc3Sc3cccs3)c(=O)n12 538458338 DEQAJTIGALEYJR-UHFFFAOYSA-N 444.519 4.438 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)c1 542751664 PISCUDPTXKZCRA-QGZVFWFLSA-N 441.509 4.225 5 20 IIBD O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 543445366 JPEMIEUQULWKFF-UHFFFAOYSA-N 426.738 4.411 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)c1Br 544410566 ROYBTJMMAIMLAC-UHFFFAOYSA-N 443.305 4.230 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 545218142 UQPFDPZNCFXVQK-UHFFFAOYSA-N 442.825 4.195 5 20 IIBD CCNC(=O)COc1ccc(CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1OC 547789796 OAZDFUWYBIPDBR-UHFFFAOYSA-N 428.272 4.037 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCOC1 555453131 GMDTXTQOOYNEAH-AWEZNQCLSA-N 445.882 4.319 5 20 IIBD O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1cc([N+](=O)[O-])ccc1C(F)(F)F 570424439 VKFSEBAVMYPDHO-UHFFFAOYSA-N 425.344 4.247 5 20 IIBD COc1ccc(S(=O)(=O)N(Cc2cc(F)ccc2F)c2ccccc2)cc1[N+](=O)[O-] 572037325 DJIMAVVNCWKQDO-UHFFFAOYSA-N 434.420 4.277 5 20 IIBD O=C(Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 578407069 PRPOEKJNPIRMIT-UHFFFAOYSA-N 442.357 4.237 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cccc(Nc2cnn(C)c2)c1 579741048 VOKHJHWRNZYBRC-UHFFFAOYSA-N 430.262 4.395 5 20 IIBD O=C(Nc1ccc(F)cc1OC1CCOCC1)c1ccc(Br)cc1[N+](=O)[O-] 580494627 HBBSBGUUHNBZHQ-UHFFFAOYSA-N 439.237 4.307 5 20 IIBD COc1cccc(CO[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)c1 603636657 LOLZJHXDHHEHPI-INIZCTEOSA-N 434.448 4.378 5 20 IIBD COc1ccc(CSc2nnc(N3CCC(C)CC3)n2Cc2ccco2)cc1[N+](=O)[O-] 603724447 YUFAXJVSPBCATE-UHFFFAOYSA-N 443.529 4.365 5 20 IIBD CCOC(=O)c1sc(N(C(=O)COc2cccc([N+](=O)[O-])c2)c2ccccc2)nc1C 603738642 JAFUWXXNZVCOBB-UHFFFAOYSA-N 441.465 4.280 5 20 IIBD O=C(Nc1ccnn1Cc1cccc2ccccc12)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 603759621 HLTMVUARXDMQJX-UHFFFAOYSA-N 438.447 4.431 5 20 IIBD O=C(CN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] 604276312 IWMQLLQNSSENAI-RKDXNWHRSA-N 433.736 4.249 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCCN2Cc3ccccc3C2)cc1 604481379 LLRBUZIDQJLLFZ-UHFFFAOYSA-N 433.464 4.141 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(C)C 608845314 QPKDGOBRVBOIRH-KRWDZBQOSA-N 439.390 4.074 5 20 IIBD COC(=O)c1cc(C(=O)N(CCc2ccc(OC)cc2)Cc2ccccc2)cc([N+](=O)[O-])c1 608898435 ZBIUGBXGLHCLMJ-UHFFFAOYSA-N 448.475 4.275 5 20 IIBD CC(C)(Cc1ccc(Br)cc1)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 608949773 WGLVITUWCMBRHJ-UHFFFAOYSA-N 443.301 4.294 5 20 IIBD CCOC(=O)c1ccnc(NCc2cn(-c3ccccc3)nc2-c2ccncc2)c1[N+](=O)[O-] 609961971 PFHLVDLXRUVHRJ-UHFFFAOYSA-N 444.451 4.026 5 20 IIBD CN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](c1cccc(F)c1)c1cnn(C)c1 609970021 KUAZVCIDHFHECP-NRFANRHFSA-N 446.866 4.138 5 20 IIBD CCn1nnnc1-c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c1 609979881 MTQPUHYIANONAM-UHFFFAOYSA-N 443.467 4.133 5 20 IIBD COc1cc(C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)cc([N+](=O)[O-])c1OC 610173200 URQNDIXQHWLMNI-UHFFFAOYSA-N 428.391 4.410 5 20 IIBD COc1cccc([C@@H](NC(=O)CCn2cc([N+](=O)[O-])nc2C)c2ccccc2Cl)c1 610180941 JBFICUKOACTENG-OAQYLSRUSA-N 428.876 4.058 5 20 IIBD CCOc1ccccc1C(=O)N[C@@H](C(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1)C(C)C 610556789 UCDLYXSGCBIEPM-TZIWHRDSSA-N 427.501 4.015 5 20 IIBD CCOC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)o1 610621955 RUVZTWWKGUZZEU-UHFFFAOYSA-N 426.450 4.446 5 20 IIBD CC(C)(CO)CNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 610927419 NFPFJGQRJKNGPP-WJDWOHSUSA-N 425.510 4.270 5 20 IIBD COc1ccc2cccc(Cc3noc([C@H](C)NC(=O)c4cccc([N+](=O)[O-])c4)n3)c2c1 612944393 NXLKZVSRILBNPM-AWEZNQCLSA-N 432.436 4.221 5 20 IIBD CCOc1ccc2c(c1)[C@H](NCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])CCO2 614252442 VPBRAXGCSDTSAZ-MRXNPFEDSA-N 438.427 4.259 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCOc3c(Br)cccc3C2)cc1[N+](=O)[O-] 619364739 WLRFJHGJKHFVFI-ZDUSSCGKSA-N 434.290 4.331 5 20 IIBD CCOc1ccc(-n2c(Cc3ccccc3)nnc2Sc2c([N+](=O)[O-])ncn2C)cc1 619671674 ZSPNEZWJRLGRHL-UHFFFAOYSA-N 436.497 4.050 5 20 IIBD CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1 728282052 MVSYAJLROZJFIO-UHFFFAOYSA-N 440.456 4.232 5 20 IIBD Cn1cc(C(=O)OCc2nnc(-c3ccccc3Cl)o2)c(-c2ccc([N+](=O)[O-])cc2)n1 728838074 UACSKQDYPUYWJY-UHFFFAOYSA-N 439.815 4.056 5 20 IIBD O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1OCc1cccs1 731520892 OYOMRDGJJPDNMA-HXUWFJFHSA-N 438.461 4.198 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 731632826 UIMSVUQEJNFMBY-JOCHJYFZSA-N 446.887 4.496 5 20 IIBD COc1ccc(CSCC(=O)N2[C@H](C)CO[C@H](c3ccccc3)[C@H]2C)cc1[N+](=O)[O-] 732022520 OGLGKHXKJIEGIM-MCFFVMPBSA-N 430.526 4.214 5 20 IIBD CCOC(=O)C1=C(C)N([C@H](C)CC)C(=O)N[C@H]1c1csc(-c2cccc([N+](=O)[O-])c2)n1 733121473 NKAIRSLMBQTEIT-XIKOKIGWSA-N 444.513 4.420 5 20 IIBD COC(=O)c1cc(C(=O)Nc2cc(-c3ccccc3Br)no2)cc([N+](=O)[O-])c1 734358071 BBOGGPLLLKHPLR-UHFFFAOYSA-N 446.213 4.051 5 20 IIBD O=C(/C=C\c1cc(C(F)(F)F)ccc1Cl)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 735822039 MMLBCFBYNHPVFO-DHEJZYIKSA-N 440.809 4.388 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=S)Nc2ccc(Cl)cc2Cl)CC1 740628021 GUPVUFUSCMBWPI-UHFFFAOYSA-N 439.324 4.056 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 743789547 OBATTXOKXWYASF-UHFFFAOYSA-N 431.408 4.086 5 20 IIBD C[C@H](OC(=O)CCNc1ccccc1[N+](=O)[O-])c1nc(Cc2ccc(Cl)cc2)no1 744541943 IRRBCVOBQUPAEV-ZDUSSCGKSA-N 430.848 4.328 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3sccc3C(=O)NC3CC3)cc2[N+](=O)[O-])C1 746777198 NJIPJKWQFKBYQN-KBPBESRZSA-N 442.541 4.283 5 20 IIBD CCCC[C@H](OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)Nc1cc(C)on1 747119015 MDDBZZVNOAURGL-AWEZNQCLSA-N 429.351 4.264 5 20 IIBD O=C(Nc1cc(-c2ccccc2)on1)c1cc([N+](=O)[O-])ccc1I 747988809 SLHCXPFTSGAJGO-UHFFFAOYSA-N 435.177 4.107 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 749506483 XIHMIIZBJBCNBQ-OWDMVUQNSA-N 435.883 4.302 5 20 IIBD Cc1ccc(-c2nc(C)c(C(=O)OCC3CCN(c4ccc([N+](=O)[O-])cn4)CC3)s2)o1 750435815 LCIJRKMYRITQOA-UHFFFAOYSA-N 442.497 4.397 5 20 IIBD C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](O)c1c(F)cccc1Cl 752614812 IDEJVHXDLGPJLH-VVVCHXIZSA-N 433.288 4.371 5 20 IIBD COc1ccc(C2=N/C(=C/c3ccc(OCC(F)(F)F)c(F)c3)C(=O)O2)cc1[N+](=O)[O-] 753986884 QCOOPZBBNLFVMD-NTUHNPAUSA-N 440.305 4.028 5 20 IIBD COc1cc(F)c([C@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1OC 755011114 FPRMHZNWXKULSA-QMMMGPOBSA-N 445.216 4.144 5 20 IIBD CNc1nc(C(=O)O[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)cs1 756214709 FWPOJKOUCNGUAH-INIZCTEOSA-N 446.872 4.283 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1ccc(Cl)cc1Cl 756767436 YEUINHPYOZKMLR-SNVBAGLBSA-N 436.251 4.417 5 20 IIBD Cc1ccc(-c2cncc(C(=O)OCC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])c2)cc1 758085868 BNDYLVKTEATIDV-UHFFFAOYSA-N 425.828 4.414 5 20 IIBD COc1c([N+](=O)[O-])cc(NCc2nnc(C(C)(C)C)s2)c([N+](=O)[O-])c1Br 758471547 CSGLUQKEKKYISC-UHFFFAOYSA-N 446.283 4.035 5 20 IIBD Cc1ccc(Cc2nnc(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3Cl)s2)cc1 760319758 GUPVVQJFKLMYOL-UHFFFAOYSA-N 438.918 4.108 5 20 IIBD CC(C)N1C(=O)N(c2ccc([N+](=O)[O-])cc2F)C(=O)[C@@H]1c1ccc(Br)cc1 761051500 QOZHWUWHJRPWTR-INIZCTEOSA-N 436.237 4.415 5 20 IIBD CN(C)c1ccc(CCc2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)cc1 762263693 YLXNYZMZCOOTQY-UHFFFAOYSA-N 431.290 4.182 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC2(CCN(Cc3ccccc3)C2)CC1 763183272 AQPPWGHEUSPPQE-UHFFFAOYSA-N 448.567 4.323 5 20 IIBD COc1ccc([C@@H]2CCCCCN2C(=O)COC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 763407286 ZBIRLKRMSXDQEZ-JTSKRJEESA-N 440.496 4.394 5 20 IIBD O=C(COc1ccccc1Br)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 763860412 JGSYFJOLUQGKLF-UHFFFAOYSA-N 433.214 4.135 5 20 IIBD CC(C)(c1ccccc1)[C@H](OC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C(F)(F)F 771366317 FGJSEMXGIWFEAL-SFHVURJKSA-N 434.374 4.241 5 20 IIBD CCCCn1ncc(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)c1C 772436728 OMVZNXLPILCMLX-IBGZPJMESA-N 442.516 4.142 5 20 IIBD O=C(c1cc(N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)ccc1[N+](=O)[O-])N1CCCC1 772905862 KPFGHGCDQRRZGR-PGRDOPGGSA-N 427.476 4.062 5 20 IIBD Cc1c(Cl)cccc1NC(=O)COC(=O)c1sc(Br)cc1[N+](=O)[O-] 773597041 HNYIFNMCMITZKL-UHFFFAOYSA-N 433.667 4.176 5 20 IIBD C[C@H](C[C@@H]1CCOC1)OC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 774745680 NDXIDAPKNVUVSG-MSOLQXFVSA-N 435.480 4.348 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2nnc(S)n2C2CC2)C1 775538302 SJNGIUYRTGKIGC-CYBMUJFWSA-N 447.586 4.330 5 20 IIBD O=C(CCCc1nc(O)c2ccccc2n1)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776137479 JHFRUJJLYPAINI-QHCPKHFHSA-N 444.447 4.294 5 20 IIBD COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)cc1OC1CCCC1 776301927 PSIISNAWKZLOGS-UHFFFAOYSA-N 441.484 4.014 5 20 IIBD O=C(COC(=O)c1c(C(F)(F)F)ccnc1Cl)Nc1ccc(Cl)cc1[N+](=O)[O-] 776471614 ZLTNVLOEHYMZTE-UHFFFAOYSA-N 438.145 4.111 5 20 IIBD O=C1[C@H]2CSCN2C(=O)N1Cc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 777657747 ZMSJQTIQBVSHNZ-CQSZACIVSA-N 437.836 4.017 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1 777924200 ZDDIIOWKSGBIOU-UHFFFAOYSA-N 449.504 4.248 5 20 IIBD COc1ccc(OC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 780313555 PWXLRQQIVLUUCM-NRFANRHFSA-N 436.420 4.177 5 20 IIBD CC1CCC(NC(=O)[C@@H](C)OC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 781258567 UUQGBSPUZAGUDU-MFOWVQHXSA-N 442.462 4.200 5 20 IIBD O=C(Nc1ccc(OC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cc1)c1ccc(F)cc1 781645646 HTSNFMOCHQCKNV-OAQYLSRUSA-N 449.394 4.085 5 20 IIBD CCc1ccc(-c2noc(COC(=O)c3cccc([N+](=O)[O-])c3Br)n2)cc1 781676692 WNPOAVHNHOCUKB-UHFFFAOYSA-N 432.230 4.327 5 20 IIBD COc1cc(SC)ccc1NC(=O)c1ccc(I)c([N+](=O)[O-])c1 785396459 CUSSAJGVTJTFQB-UHFFFAOYSA-N 444.250 4.182 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)OCc1ccc(Br)c([N+](=O)[O-])c1 785936510 ONNJQCZNSVHKPE-UHFFFAOYSA-N 429.610 4.205 5 20 IIBD COc1cc2nc(CSc3nc4ccc([N+](=O)[O-])cc4s3)nc(O)c2cc1OC 788009436 SPFMMMLYGYEUSY-UHFFFAOYSA-N 430.467 4.163 5 20 IIBD COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)OCc2ccc([N+](=O)[O-])cc2Br)c1 788194557 RMSBNOOOZPADLL-HOCLYGCPSA-N 436.258 4.221 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1cccc(C(=O)NCc2ccccc2)c1 790561857 XIHBXKHCJRWSTQ-UHFFFAOYSA-N 441.846 4.499 5 20 IIBD O=C(NC[C@H]1CCCCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccccc1 790891089 ZZSCBGYXDLIUCU-MRXNPFEDSA-N 448.882 4.133 5 20 IIBD CN1C(=O)C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]1c1ccc(Cl)c(Cl)c1 792524035 DQUCGOPMPUPUCT-GTNSWQLSSA-N 426.231 4.199 5 20 IIBD Cc1ccc(NC(=O)[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc2)cc1C 794740983 NFIIGPLLYMHNFP-OAQYLSRUSA-N 448.435 4.230 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)O[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl 795716444 FHLQNJCXAPXIHC-SNVBAGLBSA-N 427.240 4.484 5 20 IIBD O=C(C[C@H]1CCCOC1)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 795912308 KHZHXJSEHMFUGH-VLIAUNLRSA-N 432.860 4.288 5 20 IIBD CN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])Cc1ccc(OCC(F)(F)F)cc1 796114689 GKQVNUBZPOADSQ-UHFFFAOYSA-N 431.798 4.260 5 20 IIBD C[C@H](OC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC(c1ccccc1)c1ccccc1 798128944 JWJNUURDDCEEHT-DNKLCNGGSA-N 430.460 4.446 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)C(C)(C)c1ccccc1Br 798730360 NSTCBVONVPPTNN-UHFFFAOYSA-N 435.274 4.125 5 20 IIBD CC(C)[C@H](NC(=O)COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(F)cc1 801069210 ZXCKFBRELFRIBP-QFIPXVFZSA-N 443.475 4.004 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CCCC[C@@H]2COC(=O)NC2CCCC2)cc1[N+](=O)[O-] 812107875 GDILHGUTWVIZOR-VQIMIIECSA-N 432.521 4.197 5 20 IIBD O=C(Nc1cccc(CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1)c1ccncc1 812926894 KKJBUCLIGBVMMW-UHFFFAOYSA-N 445.262 4.479 5 20 IIBD O=C(Oc1ccccc1)N1CCCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 813434290 NOGYHQSQYOEKLS-UHFFFAOYSA-N 438.267 4.249 5 20 IIBD COc1ccccc1[C@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccco1 815028013 NYKWKCGBMOWPAX-SFHVURJKSA-N 440.836 4.057 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 816865542 RIXYYOCJFGYIBS-NRFANRHFSA-N 447.535 4.201 5 20 IIBD CSc1ccc([C@@H](CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])N(C)C)cc1 819343445 ZLHIZGCGJXFQBU-GOSISDBHSA-N 425.913 4.071 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C(=O)N[C@H](C)c1ccc2ccccc2c1 854157891 MSEMLLDOFPBPOE-HZPDHXFCSA-N 435.480 4.237 5 20 IIBD COc1cccc(Cc2cnc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)s2)c1 917871423 OVLVIWWSUXMDKP-UHFFFAOYSA-N 439.902 4.105 5 20 IIBD CC(C)CNC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1Cl 918654472 AKJBJMPLFDBWAT-UHFFFAOYSA-N 444.919 4.487 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)OCC(=O)N1CCc2sccc2[C@H]1c1ccccc1 918861501 MKIYJERAHLPLEU-CNGNEYMMSA-N 448.500 4.387 5 20 IIBD CCOc1ccc([C@@H]2CCCN2C(=O)COC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 919210718 IKFXSPDSKUJCOZ-IBGZPJMESA-N 438.436 4.260 5 20 IIBD C[C@H](OC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C(=O)Nc1cccc(Br)c1 919526845 VJOSDGVZHIBNBJ-JTQLQIEISA-N 432.230 4.023 5 20 IIBD Cc1c(C(=O)N2CCO[C@@H](c3ccc(Cl)s3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 1116167301 BMLBHDLWHSYKKA-CYBMUJFWSA-N 425.850 4.048 5 20 IIBD COc1ccc(NC(=O)NCc2cc(Br)ccc2OC(F)F)c([N+](=O)[O-])c1 1123335042 ZQVHHVVKBIHHSY-UHFFFAOYSA-N 446.204 4.289 5 20 IIBD COc1cc(-c2nnc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc(OC)c1OC 1323852949 ZEAORLUHOBKDFZ-UHFFFAOYSA-N 436.218 4.100 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[C@@H](C)c1ccc(F)c(F)c1 1332102235 DVXKFIMYWRVCFK-ZDUSSCGKSA-N 430.411 4.464 5 20 IIBD O=C1C[C@@H](Cc2ccc(NCc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)cc2)C(=O)N1 1340718048 VEBRWECPTBFOEB-CQSZACIVSA-N 439.855 4.326 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1 1344129713 PDVKKLHXDJCDHR-UHFFFAOYSA-N 427.464 4.179 5 20 IIBD COc1ccc(NC(=O)N2CCC([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c([N+](=O)[O-])c1 1345083270 FGULRCJRLJOZRH-MRXNPFEDSA-N 448.520 4.104 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@@H]3CC3(F)F)cc2)CCC1)c1cccc(F)c1[N+](=O)[O-] 1789136760 LEMWIUKJYHIPOT-HNNXBMFYSA-N 433.386 4.137 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]3C3CC3)CCC2)cc1)c1cc(O)cc([N+](=O)[O-])c1 1790755689 QPLMCVFSVPZKRV-RTWAWAEBSA-N 435.480 4.094 5 20 IIBD O=C(NC1(c2ccc(NC(=O)C3(F)CCC3)cc2)CCC1)c1cccc(F)c1[N+](=O)[O-] 1792056797 KGWXLOYNBGPZFH-UHFFFAOYSA-N 429.423 4.374 5 20 IIBD Cc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc4occc4c2)C3)cc1[N+](=O)[O-] 1800138965 TTYDJKDVDMIAKS-WKCHPHFGSA-N 447.491 4.144 5 20 IIBD C[C@H]1CCC[C@@H]1C(=O)N1CCC2(CCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)CC1 1806490461 NMOIRYYFTOUIKW-UGKGYDQZSA-N 441.572 4.195 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1cc([C@H]2CCCCN2C(=O)CCC2CCC2)[nH]n1 1814965120 IUCIRBFGQURCTB-XSFOEPMVSA-N 441.488 4.197 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2F)n[nH]1 1821049013 BQTBVKMBVRNNKQ-SCLBCKFNSA-N 431.468 4.199 5 20 IIBD Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)c1 1829997766 NHPQBODVOAJORH-LJQANCHMSA-N 425.485 4.043 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 3468353 DRXQZYMQAPXBQF-UHFFFAOYSA-N 440.477 4.167 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)cc([N+](=O)[O-])c1 10577767 KCRTVVRVTOYMLN-UHFFFAOYSA-N 441.465 4.464 5 20 IIBD O=C(Cc1ccccc1[N+](=O)[O-])NCc1cn(Cc2ccccc2)nc1-c1ccccc1 11087293 HVVKGGJSEOXAMV-UHFFFAOYSA-N 426.476 4.366 5 20 IIBD O=C(CCc1ncc(-c2ccccc2Cl)o1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 12253456 XTKIFWRYOBDVDM-UHFFFAOYSA-N 444.827 4.446 5 20 IIBD O=C(CCc1ncc(-c2ccc(F)cc2F)o1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 12269666 MFIJTHZTXLZHTK-UHFFFAOYSA-N 446.362 4.071 5 20 IIBD O=C(COC(=O)CSc1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 22015021 KVFCKTXLQLPLJG-UHFFFAOYSA-N 432.351 4.027 5 20 IIBD CN1c2ccccc2C(=O)N[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 24098588 GEKBENPBECBSAC-SFHVURJKSA-N 428.242 4.496 5 20 IIBD CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1 32698172 BWKGJONMLCKIDE-UHFFFAOYSA-N 434.861 4.428 5 20 IIBD O=C(c1ccc(F)cc1)c1ccc(OS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 58666465 JWFAZVUUORORPX-UHFFFAOYSA-N 435.816 4.386 5 20 IIBD Cc1c(NC(=O)CCN2CCO[C@@H](c3ccc(Br)cc3)C2)cccc1[N+](=O)[O-] 109099461 FKEYLCLMQZOLKQ-LJQANCHMSA-N 448.317 4.068 5 20 IIBD COC(=O)c1cc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc([N+](=O)[O-])c1 139625160 WTNBAGLJIJPFNX-GOSISDBHSA-N 428.491 4.292 5 20 IIBD COc1ccc(C(=O)Nc2cccc(OCCNCc3ccc(C)c([N+](=O)[O-])c3)c2)cc1 237475755 SZOMQRFKUGENJQ-UHFFFAOYSA-N 435.480 4.333 5 20 IIBD CN(CC(=O)Nc1c(Cl)cccc1Cl)c1ncc([N+](=O)[O-])cc1Br 301540382 NUKVJGPRGMRQOB-UHFFFAOYSA-N 434.077 4.134 5 20 IIBD CO[C@@H]1CCC[C@@H](OC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 302691529 XNMJPHXOMNYNEI-FGZHOGPDSA-N 435.480 4.491 5 20 IIBD C[C@H]1C[C@@H](N(C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCN1Cc1ccccc1 303752513 MDTMSYLKSOCRNG-LPHOPBHVSA-N 430.936 4.172 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(F)c(Br)cc2F)c(Cl)c1 391494900 GFBZEZCABICPCJ-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccnc(N2CCc3ccccc3C2)c1 427634779 XHERPSGKQPDYTN-UHFFFAOYSA-N 444.900 4.007 5 20 IIBD C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1CCC(=O)Nc1ccccc1[N+](=O)[O-] 428796003 ZQSFLANSMGQSHA-AUUYWEPGSA-N 437.418 4.404 5 20 IIBD O=C(NC[C@]1(CO)C[C@H]1c1ccc(F)cc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 430125900 UWAAIUFDFHVXFN-OFVILXPXSA-N 449.482 4.242 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O 430463296 JYZFLTVWRZNIAZ-IFMALSPDSA-N 432.517 4.350 5 20 IIBD C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] 430613743 WOEULNKGDZFSJZ-OAHLLOKOSA-N 432.318 4.094 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H](CO)c1c(Cl)cccc1Cl 431945799 KOIMNDMXCCRQCN-LBPRGKRZSA-N 436.198 4.358 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 432211230 VOBYWYOFXGXPOV-UHFFFAOYSA-N 448.479 4.062 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(-c2cc3ccccc3s2)[nH]n1 432489179 NWCVEDKHLYPBQV-UHFFFAOYSA-N 430.467 4.009 5 20 IIBD C[C@@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCc2sccc2C1 436081742 IKOZHAOZEMONSA-AWEZNQCLSA-N 435.524 4.059 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCCN(c2ccccc2)CC1 436082041 RCCNTFCTDYLYDN-UHFFFAOYSA-N 433.458 4.312 5 20 IIBD CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 436390236 PYJWFIXHGBHYPV-LLVKDONJSA-N 442.360 4.026 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3nc4cc(F)ccc4n3C)cc2[N+](=O)[O-])C1 437159691 HFYQFBVLWPFOEJ-OKILXGFUSA-N 425.464 4.355 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] 439252189 XOWJFZZEUURIPX-SNVBAGLBSA-N 449.273 4.326 5 20 IIBD COCCc1nc2cc(NC(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)ccc2o1 439995805 MTTISHVRTFUURL-UHFFFAOYSA-N 449.467 4.039 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ncc(Cc2ccccc2Cl)s1)c1cccc([N+](=O)[O-])c1 445060392 AHLDMELNMXRTQY-GFCCVEGCSA-N 444.900 4.111 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(C3CCC(NC(=O)CC4CCCC4)CC3)n2)c1 445580801 ZJXSASUSVRCTIS-UHFFFAOYSA-N 442.516 4.300 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(-c3cc(-c4ccccc4)nc4c3cnn4C(C)C)n2)n1C 445621395 QFKMNJOVMMBREZ-UHFFFAOYSA-N 444.455 4.346 5 20 IIBD CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 446534490 AECLTIPTEBRYIY-BEFAXECRSA-N 449.515 4.143 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCCc1nnc(-c2ccccc2)o1 447684203 YEGAUFSVYOMRTL-UHFFFAOYSA-N 429.305 4.349 5 20 IIBD O=C(C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(F)cc1 448448067 ZHYWOCXYBKZVNC-AWEZNQCLSA-N 435.249 4.374 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])c1ccc(Oc2cccc(Cl)c2Cl)nn1 460509785 VHNDANZGMSFVBP-UHFFFAOYSA-N 433.251 4.456 5 20 IIBD CN(C(=O)c1cc(C(=O)N(C)c2ccccc2F)cc([N+](=O)[O-])c1)c1ccccc1F 460673950 RFQYDFMMAIUJIK-UHFFFAOYSA-N 425.391 4.426 5 20 IIBD Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cccc1-n1cnnc1O 461101974 UFWVDNJOCFDJHA-UHFFFAOYSA-N 431.408 4.234 5 20 IIBD Cc1cc(N2CCCN(C(=O)c3ccc(F)cc3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] 461719819 SBUNAJVLLMWUDV-UHFFFAOYSA-N 425.382 4.414 5 20 IIBD CSc1cccc([C@H](NC(=O)CCn2cc([N+](=O)[O-])nc2C)c2cc(F)ccc2F)c1 464120524 LCMWFIXFYDFOLS-NRFANRHFSA-N 446.479 4.396 5 20 IIBD Cc1ccc([C@H](C)NC(=O)c2scc(C)c2I)cc1[N+](=O)[O-] 469244363 UBWRRJMPTUJQAL-JTQLQIEISA-N 430.267 4.369 5 20 IIBD C[C@H](CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 472617444 RPIRHXKYNCLUFG-LLVKDONJSA-N 427.354 4.001 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 474776431 PLPCHEXCHCMQIR-GFCCVEGCSA-N 449.286 4.446 5 20 IIBD O=C(c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCn2ncnc2C1 474839436 LEEUTKGEPDOBOQ-UHFFFAOYSA-N 449.414 4.012 5 20 IIBD COc1cc(C(=O)NCCCCc2nc(-c3cccnc3)cs2)cc([N+](=O)[O-])c1C 480169330 MMPIGFSRVWGZRH-UHFFFAOYSA-N 426.498 4.183 5 20 IIBD O=[N+]([O-])c1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1 480724002 UPQJSPSHHLCEBY-INIZCTEOSA-N 432.445 4.136 5 20 IIBD Cn1nc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccc(OCc3ccccc3)cc2)cs1 483122036 PNJUFKFVWJLUBE-UHFFFAOYSA-N 435.465 4.283 5 20 IIBD Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)C2)cc1 486603606 LZZDWGRQSHSTBT-YJBOKZPZSA-N 437.525 4.201 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c(F)c1 486847911 SPEWMBISBQQXMS-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD O=C([C@H](Oc1ccc(F)c(F)c1)c1ccccc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 487081511 YQWADVKEDPTEGH-OAQYLSRUSA-N 442.422 4.053 5 20 IIBD O=C(NCc1cccc(-n2cncn2)c1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 489249398 HMDVEDSBHNWRLK-UHFFFAOYSA-N 431.477 4.257 5 20 IIBD CCn1c(S[C@@H](C)C(=O)N2CCc3sccc3C2)nnc1-c1ccc([N+](=O)[O-])cc1 489463580 MZFJZAWTKUXBAA-ZDUSSCGKSA-N 443.554 4.000 5 20 IIBD Cc1ccc([C@@H](CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])N2CCCC2)cc1 489710538 DSMZYCAJEMIDRG-OXQOHEQNSA-N 431.920 4.277 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 491065058 FLZWNOPSVZDEQK-HNNXBMFYSA-N 437.525 4.136 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ccccc1-c1c(F)cccc1F 494497905 YDVARCGSPRTYGU-UHFFFAOYSA-N 426.375 4.492 5 20 IIBD COCC1(CCNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CCC1 501910469 CABFLSIIIBPANP-UHFFFAOYSA-N 427.288 4.024 5 20 IIBD Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)CCn3nc(C)c([N+](=O)[O-])c3C)s2)cc1 502576720 XCXPAHKIRNQDHL-AWEZNQCLSA-N 427.530 4.416 5 20 IIBD CC[C@@H]1C[C@H](C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)CCO1 502936533 UAILXNPMSXGHLS-QZTJIDSGSA-N 443.569 4.173 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)c(Cl)c1 504002571 CEWXOTUKQYKWOC-UHFFFAOYSA-N 437.836 4.053 5 20 IIBD O=C(Nc1nc(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cs1)c1ccccc1F 505012663 GHPMWOIKHBMVEW-UHFFFAOYSA-N 425.401 4.084 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)Nc2cccc(C)c2)CC1 506180401 WQLLCLRVJBVSJN-UHFFFAOYSA-N 442.541 4.395 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(=O)N1CCC[C@@H]1C(F)F 508628205 FRHOWXCZWQMEFS-GFCCVEGCSA-N 427.454 4.002 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](NCc1cccc2c1OCO2)c1ccccc1 511687011 ZSZGJFXNFDZDNN-FQEVSTJZSA-N 439.855 4.447 5 20 IIBD CCOC(=O)C1CCC(N(CC)C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 511963547 HFSRYFLLCVUOGC-UHFFFAOYSA-N 434.536 4.125 5 20 IIBD CC(C)NS(=O)(=O)Cc1ccc(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 514221609 IPQFEMAEZVOMPQ-UHFFFAOYSA-N 431.436 4.054 5 20 IIBD CCc1cccc(Oc2ccc(NC(=O)N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)cn2)c1 515412003 ULORFKDNOIXWQC-UHFFFAOYSA-N 448.483 4.094 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)c([N+](=O)[O-])cc1OC 515694047 CUNGPDWAXURBCE-UHFFFAOYSA-N 441.484 4.271 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cc(C(C)C)nn2-c2ccccc2)cc1[N+](=O)[O-] 516607422 LUZHAAYGFPQZII-MRXNPFEDSA-N 435.484 4.028 5 20 IIBD O=C(CNc1ccccc1[N+](=O)[O-])NCc1cn(-c2ccccc2)nc1-c1ccccc1 517886076 RUJDNNBBUZSTLM-UHFFFAOYSA-N 427.464 4.176 5 20 IIBD COc1ccc2[nH]cc(C3CCN(S(=O)(=O)c4c(Cl)cccc4[N+](=O)[O-])CC3)c2c1 517912341 BHOWCDOZAMABKX-UHFFFAOYSA-N 449.916 4.306 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 518176812 DBSJCAPLVQLAPC-AWEZNQCLSA-N 446.887 4.372 5 20 IIBD CN(C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 519620829 MEUVIRHCOMKGPR-UHFFFAOYSA-N 429.432 4.192 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCC[C@@H]1Cc1c(F)cccc1Cl 520567841 BPDLVQUMYVRKTB-LLVKDONJSA-N 440.258 4.213 5 20 IIBD C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 521364197 KHSGQDWVAFYESR-VBKZILBWSA-N 426.860 4.036 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 522238088 FFYRLIRVSRPBPC-UHFFFAOYSA-N 425.832 4.217 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c(F)c1 522715152 XQYXUZPYXBKKGC-CYBMUJFWSA-N 433.461 4.101 5 20 IIBD CCCn1ccc2cc(NC(=O)[C@H](CCSC)NC(=O)c3ccc([N+](=O)[O-])o3)ccc21 522797373 RWRGEJVDTCWSME-INIZCTEOSA-N 444.513 4.043 5 20 IIBD O=C(c1ccc(-n2cc(Br)cn2)cc1)N1CCCc2ccc([N+](=O)[O-])cc21 522873775 NLDWCFWTQOAOKB-UHFFFAOYSA-N 427.258 4.136 5 20 IIBD COc1ccc(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c(C(F)(F)F)c1 523956001 UGFBBVKHPDYXOR-UHFFFAOYSA-N 432.782 4.361 5 20 IIBD Cc1ccc(COc2c(C)cc(CN(C)C(=O)CCn3cc([N+](=O)[O-])cn3)cc2C)cc1 524506489 GZTLXKLMZLMPDN-UHFFFAOYSA-N 436.512 4.344 5 20 IIBD COC(=O)c1cc(NC(=O)CSc2nc(C)nc3sc(C)c(C)c23)cc([N+](=O)[O-])c1 524568104 NHDGEABWVBAEEN-UHFFFAOYSA-N 446.510 4.042 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCc1ccc(C(=O)N2CCCCC2)cc1 524839113 UPVOMWXWNSAXMY-UHFFFAOYSA-N 438.528 4.043 5 20 IIBD CCc1ccc(C(=O)NC2(c3cccc(Br)c3)CCOCC2)cc1[N+](=O)[O-] 531071744 AARMVAMWGFIKOP-UHFFFAOYSA-N 433.302 4.355 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O 533303079 BRFKRXYTLUDPMP-SCLBCKFNSA-N 441.875 4.097 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(OCc2cn3ccccc3n2)cc1 536104274 ZAQATFFWTYZQLZ-UHFFFAOYSA-N 432.436 4.473 5 20 IIBD CC[C@H]1Oc2cc([C@@H](C)NCCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)ccc2NC1=O 537154603 WBCHWCDLOKRSHN-AUUYWEPGSA-N 436.468 4.253 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 537558050 QUFAHQCEXIGTGW-VOJFVSQTSA-N 442.463 4.348 5 20 IIBD CCN(CC)[C@@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1Cl 537686730 MCARJGBSILFPLV-HNNXBMFYSA-N 431.967 4.208 5 20 IIBD O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1O)c1cccc(CS(=O)(=O)c2ccccc2)c1 538648663 PSUYPTCHOXTNLE-UHFFFAOYSA-N 446.868 4.180 5 20 IIBD COC(=O)[C@@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)Cc1cccc2ccccc12 541732143 WYYUNLWSXOIOIZ-CRAIPNDOSA-N 438.455 4.139 5 20 IIBD C[C@@H](C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccc([N+](=O)[O-])cc1F 541761948 CWGSHIMOSJMHLA-MRXNPFEDSA-N 426.492 4.008 5 20 IIBD CN1CCN(CC2(C)CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)CC2)CC1 541761979 DXBOJRNOPPMKFP-UHFFFAOYSA-N 446.979 4.358 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC(c3cc(C)[nH]n3)CC2)c([N+](=O)[O-])c1 542047711 QGUAFJDNZOYWBL-HSZRJFAPSA-N 433.512 4.494 5 20 IIBD Cc1nccc(NCc2cccc(C(=O)N3CCS[C@H]3c3ccc([N+](=O)[O-])cc3)c2)n1 543586996 HZYBWOLNJZOTLW-QFIPXVFZSA-N 435.509 4.193 5 20 IIBD CCCc1c(NC(=O)c2cc(OCC)c(OC)cc2[N+](=O)[O-])cnn1-c1cc(C)ccn1 544876323 WEQIZVNXIKYXTL-UHFFFAOYSA-N 439.472 4.096 5 20 IIBD CN(Cc1nc(-c2cc(Cl)ccc2O[C@@H]2CCOC2)no1)c1ccccc1[N+](=O)[O-] 547198937 NNVXNLDQPCPWIA-CQSZACIVSA-N 430.848 4.102 5 20 IIBD CC[C@H](C(=O)N1CCC(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 549964140 MADYPYNZDAFRGT-FQEVSTJZSA-N 437.540 4.173 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC1(c2cccc(F)c2)CCOCC1 550278657 YDUXMEWJJSSYRH-UHFFFAOYSA-N 437.265 4.241 5 20 IIBD CC[C@@H](Nc1ncnc2sc([N+](=O)[O-])cc12)c1ccccc1OCC(=O)N1CCCC1 553448343 WVXVYLHORPVUEN-MRXNPFEDSA-N 441.513 4.164 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(Sc2nc3c(Br)cccc3s2)n1 561317554 HSUQXLZZMTYIJS-UHFFFAOYSA-N 426.273 4.300 5 20 IIBD Cc1ccc(C(C)C)c(Oc2ccc(CNC[C@H]3CCCS3(=O)=O)cc2[N+](=O)[O-])c1 561564959 PGQBJWPHLLCCLQ-GOSISDBHSA-N 432.542 4.486 5 20 IIBD CCc1ccc(C(=O)Nc2cccc(NS(=O)(=O)Cc3ccccc3)c2)cc1[N+](=O)[O-] 561625842 BWJKNRUNLICWPF-UHFFFAOYSA-N 439.493 4.351 5 20 IIBD COc1cc(CCNC(=O)N2CCC[C@@H](Cc3ccc(C)cc3)C2)c([N+](=O)[O-])cc1OC 563862828 LLBZLQODRKUNHQ-IBGZPJMESA-N 441.528 4.127 5 20 IIBD C[C@H](C(=O)N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cccc([N+](=O)[O-])c1 568466743 REFTWYZZOWXJNS-LIRRHRJNSA-N 449.429 4.025 5 20 IIBD CC(C)(C)c1ncc(C(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)cn1 568556669 LKTWMJVHARNRIJ-UHFFFAOYSA-N 432.440 4.380 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 576301518 ZGKBWDRWWDPLQI-MRXNPFEDSA-N 436.434 4.076 5 20 IIBD O=[N+]([O-])c1ccc2nc(O)cc(-c3nc(-c4cc(Br)ccc4F)no3)c2c1 583887072 PDSKFWXDDWXGLG-UHFFFAOYSA-N 431.177 4.467 5 20 IIBD Cc1cc(=O)c(C(=O)N2C[C@H](C)CC[C@H]2c2ccccc2)nn1-c1ccccc1[N+](=O)[O-] 587989121 MCNRUEPWVFQADA-APWZRJJASA-N 432.480 4.063 5 20 IIBD CCCNC(=O)c1ccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc1 604005922 MVMNXDYDVLRJOC-IRXDYDNUSA-N 438.528 4.469 5 20 IIBD CCCN(CC(=O)Nc1ccccc1C)C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 604444811 DPIOKNVXMLRNII-HNNXBMFYSA-N 433.892 4.201 5 20 IIBD CCc1c(C(=O)NCc2cccc([N+](=O)[O-])c2)cnn1-c1ccc(Br)cc1 604470974 ILCNGZDKIHLIER-UHFFFAOYSA-N 429.274 4.035 5 20 IIBD COc1ccc(CNC2CCN(CC(F)F)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 608782217 TXAGBMDUPDEGCI-UHFFFAOYSA-N 435.471 4.002 5 20 IIBD CN(C(=O)CSc1nnc(Cc2c(F)cccc2Cl)o1)c1ccc([N+](=O)[O-])cc1 608929659 HDYDGDSCFBDUJX-UHFFFAOYSA-N 436.852 4.116 5 20 IIBD CCCN(Cc1ccccc1Br)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 608935557 BCYBOBFKHJHGOM-UHFFFAOYSA-N 435.274 4.181 5 20 IIBD COc1ccc(C(=O)C2CCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC2)cc1 609193373 DFSDBMCJDXKTNL-UHFFFAOYSA-N 435.480 4.396 5 20 IIBD CC(=O)Nc1nnc(S[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)s1 609215053 JGFYICBNKXXODH-MRXNPFEDSA-N 443.510 4.185 5 20 IIBD CCCNC(=O)C1CCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 609772853 HLTFVVDMKUTLLB-UHFFFAOYSA-N 426.473 4.157 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)c1ccc(C(=O)O)nc1 609791690 MKXHFYQJTGYHHU-UHFFFAOYSA-N 445.790 4.203 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H](C(F)(F)F)O[C@H](C)C2)cc1 610398767 NJZSLORXZZLHGG-XIKOKIGWSA-N 440.374 4.188 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccccc1)C[C@H](O)C(F)(F)F 611579351 VFXGLMCCXKJPGR-GUYCJALGSA-N 428.432 4.027 5 20 IIBD C[C@H](NC(=O)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 729596510 IZGBHPZSGUEDFE-APPDUMDISA-N 431.798 4.059 5 20 IIBD C[C@H](OC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O)c1cccc([N+](=O)[O-])c1 729860202 DVHFMGCOCADBGE-AWEZNQCLSA-N 435.461 4.338 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1 730630349 GWOPXOPMRVDVLP-UHFFFAOYSA-N 447.419 4.185 5 20 IIBD O=C(OCc1nnc(-c2ccc(Br)o2)o1)c1c(Cl)cccc1[N+](=O)[O-] 730644977 RAEDGLRFMOEQAB-UHFFFAOYSA-N 428.582 4.011 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NC[C@@]2(O)CCCc3ccccc32)cc1[N+](=O)[O-])c1ccccn1 731369396 FBOPZOBMSVBAPM-NSYGIPOTSA-N 446.507 4.117 5 20 IIBD Cc1c(C(=O)OCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)sc2ccc(F)cc12 735345676 PDPFADVAUULSCR-UHFFFAOYSA-N 430.413 4.412 5 20 IIBD COc1ccc([C@H]2[C@@H](COC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC(=O)N2C)cc1 735781873 LHUOPTCUANZORY-VFNWGFHPSA-N 440.477 4.195 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)/C(=C/c1ccco1)NC(=O)c1ccccc1 739747370 XYMSZQDCDAUFMA-XLNRJJMWSA-N 433.464 4.098 5 20 IIBD O=C(Nc1cccc(N2CCCCCC2)c1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 740800895 GQRFCRGZKNCBSO-MRXNPFEDSA-N 440.475 4.106 5 20 IIBD CS(=O)(=O)c1cccc([C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c2ccccc2)c1 743750362 IRAXQAPVYPRHPN-FQEVSTJZSA-N 444.896 4.171 5 20 IIBD O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])C1CCN(C(=O)/C=C/c2ccccc2)CC1 746061009 ZVXHCDQVDOEQLN-RMKNXTFCSA-N 428.872 4.243 5 20 IIBD C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 747002461 QCRHENFYUIABNX-SNVBAGLBSA-N 429.782 4.425 5 20 IIBD CC[C@H]1c2ccsc2CCN1C(=O)COC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 747120036 WDIWDPQHYCCGGE-HNNXBMFYSA-N 442.415 4.368 5 20 IIBD COc1cccc(C(OC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)c2cccc(OC)c2)c1 749062855 GWQLEDZIDHXMKD-UHFFFAOYSA-N 439.468 4.148 5 20 IIBD COC(=O)c1cc(Br)cc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c1Cl 749176411 LHEFFQKGTNBMNH-DAXSKMNVSA-N 439.649 4.449 5 20 IIBD O=C(NCc1ccc(OC2CCCCC2)cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 750381202 CZMBLJLPUXJLSM-UHFFFAOYSA-N 431.876 4.215 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[C@@H](Oc2ccccc2Cl)C1 752421625 VULHNATZBRBTHY-LLVKDONJSA-N 443.656 4.443 5 20 IIBD Cc1c(Br)cc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1[N+](=O)[O-] 753125658 ZDVOXADZKSMGDR-UHFFFAOYSA-N 434.246 4.379 5 20 IIBD C[C@@H](OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)c(C(F)(F)F)c1 754370268 DYVRDELMAAPZKQ-LLVKDONJSA-N 428.338 4.177 5 20 IIBD O=C(NCc1coc(-c2cccs2)n1)c1cc(F)cc([N+](=O)[O-])c1Br 754978849 VHBPKGHMLFWTOI-UHFFFAOYSA-N 426.223 4.143 5 20 IIBD C[C@H](C(=O)O[C@H](C)C(=O)N(C)Cc1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1F 755068800 XMAUCMATRHADLU-QWHCGFSZSA-N 445.472 4.037 5 20 IIBD O=C(O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 756353935 QJNHOZRYNZCPPF-KRWDZBQOSA-N 427.438 4.017 5 20 IIBD COc1cccc(-c2nc(COC(=O)CCc3cccc([N+](=O)[O-])c3)cs2)c1OC 756524222 DFUHDIWYRXXOFS-UHFFFAOYSA-N 428.466 4.412 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCC[C@H](O)c1ccc(Cl)c(Cl)c1 758183157 URKGJWOMVDUTBM-KRWDZBQOSA-N 426.256 4.394 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCCCC[C@H]1C[C@H](O)c1ccco1 759249370 VCFKHWYBBAEKKF-GUYCJALGSA-N 444.456 4.057 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)c2cnn(-c3ccccc3)c2Br)cc1[N+](=O)[O-] 760357257 LVXVKSBDYJKRQN-CYBMUJFWSA-N 429.274 4.342 5 20 IIBD Cc1cc(N2CCSCC2)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C 761895554 ZOIUXNOKZBDJFY-UHFFFAOYSA-N 441.962 4.219 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCO[C@H](c3ccc(F)cc3)C2)c1=S 764877724 ONUHVBFOJFOMAA-IBGZPJMESA-N 443.504 4.179 5 20 IIBD COc1cc(COc2c(Br)cccc2[N+](=O)[O-])c([N+](=O)[O-])cc1OC(F)F 769868579 AYPKPEKSZOMUKK-UHFFFAOYSA-N 449.160 4.455 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@@H](C)[C@H](O)c2cccc(F)c2)cc1[N+](=O)[O-])c1ccccn1 770384068 NFUZUXVIXRVQGK-DFFLPILJSA-N 438.459 4.154 5 20 IIBD O=C(NC[C@H]1CCCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1)Nc1cccc(F)c1 775432791 NGRAWYKSQXFYBC-CYBMUJFWSA-N 449.870 4.453 5 20 IIBD O=C(O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1ccc(C(=O)c2cc[nH]c2)cc1 776136569 VUUKGJFVEOLJPT-HSZRJFAPSA-N 427.416 4.495 5 20 IIBD O=C(CCc1ncc(-c2ccc(F)cc2F)o1)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 778785564 AJJZOJOWGLROLW-KRWDZBQOSA-N 443.406 4.283 5 20 IIBD O=C(OCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1cc2c(c([N+](=O)[O-])c1)OCO2 778898424 CYOMAAHIPDSQEL-UHFFFAOYSA-N 438.179 4.037 5 20 IIBD O=C(OCCNC(=O)c1cc2c(s1)CCCC2)c1ccc2[nH]c3ccccc3c(=O)c2c1 781460513 UOFAWEBZBVKMES-UHFFFAOYSA-N 446.528 4.208 5 20 IIBD CCS(=O)(=O)c1ccc(Br)c(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c1 781571726 ITPPUIZUKPJGJB-UHFFFAOYSA-N 441.303 4.020 5 20 IIBD O=C(NCc1cccc(NC(=O)C2CCCC2)c1)c1cccc([N+](=O)[O-])c1Br 782165747 CIQAZQYXSJUJGR-UHFFFAOYSA-N 446.301 4.416 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2-c2ccc(C)s2)cc1[N+](=O)[O-] 783534995 IVGJIGAACSPSGQ-UHFFFAOYSA-N 448.482 4.006 5 20 IIBD Cc1c(C(=O)NCc2ccnc(Oc3ccccc3F)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 786016050 YENQEECZNDCCEI-UHFFFAOYSA-N 426.360 4.068 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@H]3CCCN3c3ccccc3)CC2)ccc1[N+](=O)[O-] 786423520 DUSLTAWUMXZJEN-JOCHJYFZSA-N 439.512 4.175 5 20 IIBD COc1ccc(-c2nc(CC(=O)OCc3ncc(C)c([N+](=O)[O-])c3C)cs2)cc1OC 789445816 FVXALXJBYIDFJR-UHFFFAOYSA-N 443.481 4.033 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)c(C)c1[N+](=O)[O-] 790640004 PYASHXSZENAMHM-UHFFFAOYSA-N 445.457 4.064 5 20 IIBD COc1ccc(OC(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 792121193 LLKHLYMKBZUNNX-OAQYLSRUSA-N 436.420 4.177 5 20 IIBD O=C1CSc2ccc(NC3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2N1CC(F)F 793575861 WAEJKWAFCTVQHC-UHFFFAOYSA-N 448.495 4.380 5 20 IIBD O=C(COc1cc(Cl)c(Cl)cc1[N+](=O)[O-])NCCc1ccc(OC(F)F)cc1 794495208 CLCKMNGDVJWXGD-UHFFFAOYSA-N 435.210 4.241 5 20 IIBD O=[N+]([O-])c1ccc(N2CCCCC2)c(-c2nc(-c3cccc(CN4CCOCC4)c3)no2)c1 795730432 WZKSMTGGRHGRSR-UHFFFAOYSA-N 449.511 4.134 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CN(Cc3ccccc3)C[C@@H](O)c3ccccc3)n2)c1 796359845 YDYOFJAOGYZSOD-JOCHJYFZSA-N 430.464 4.381 5 20 IIBD COc1ccccc1O[C@H]1CCCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 796568691 VJMOIDXNSAKANJ-ZBFHGGJFSA-N 433.892 4.127 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCCC4(CCN(C)CC4)C3)cc2[N+](=O)[O-])n1 799028785 NNCGNUUZDXKBER-UHFFFAOYSA-N 446.598 4.459 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1c1ccccc1 800658432 SMAFLUAYAMCTKT-FUHWJXTLSA-N 445.903 4.381 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC[C@@](CO)(Cc2ccccc2)C1 812957335 QYRYZRZZQVQUMO-HXUWFJFHSA-N 448.317 4.206 5 20 IIBD COc1cccc([C@H](C)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC2)c1 813440525 QBWSFQDPHAAHMZ-ZDUSSCGKSA-N 438.311 4.429 5 20 IIBD CC(C)(C)OC(=O)Cc1ccccc1OS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] 815047119 FCHJHMZFVWARGW-UHFFFAOYSA-N 445.852 4.039 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(NC(=O)NC3CC3)cc2)CC1 875792224 ILNPCQWYOSRROW-UHFFFAOYSA-N 437.500 4.367 5 20 IIBD COc1cc(CCNC(=O)c2ccccc2SC(F)(F)F)c([N+](=O)[O-])cc1OC 914720270 VMMWGGDCTPGCCJ-UHFFFAOYSA-N 430.404 4.196 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(OC3CCCC3)cc2)c([N+](=O)[O-])c1 914951564 HKQNNXHAFRRMFW-CQSZACIVSA-N 428.441 4.109 5 20 IIBD COc1cc(CCNC(=O)Nc2ccc(SC(F)F)cc2)c([N+](=O)[O-])cc1OC 915301131 SCCQMWHNSWDXTG-UHFFFAOYSA-N 427.429 4.291 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)c([N+](=O)[O-])c1 916108605 YKEPXWDAGMCGAS-UHFFFAOYSA-N 426.621 4.264 5 20 IIBD COC(=O)c1ccc(Cl)cc1OC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 916862564 NMAHKFZLKCOTAS-UHFFFAOYSA-N 443.843 4.116 5 20 IIBD O=C(OCc1cc(F)ccc1[N+](=O)[O-])C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 919035044 ICONYBIBWJCQHR-UHFFFAOYSA-N 441.864 4.217 5 20 IIBD O=C(COC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 919367910 FOZHXMSLLDISHX-NXEZZACHSA-N 442.312 4.464 5 20 IIBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 919990713 ONACCCUMZZXEER-UHFFFAOYSA-N 448.357 4.213 5 20 IIBD C[C@H](OC(=O)c1ccccc1NC(=O)c1cccs1)C(=O)Nc1ccc([N+](=O)[O-])cc1 1318143379 DWAAXLHBUFTTFY-ZDUSSCGKSA-N 439.449 4.093 5 20 IIBD CCOc1cc(NC(=O)N[C@@H]2CCCc3cnn(C(C)C)c32)c([N+](=O)[O-])cc1OCC 1320254961 RCPPVKSDCOIRCU-OAHLLOKOSA-N 431.493 4.369 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(-c3ccc(COc4ccccc4)o3)o2)c1N1CCOCC1 1345509311 QOZFAVUZBVZJHX-UHFFFAOYSA-N 448.435 4.320 5 20 IIBD Cc1ccn(C)c1C(=O)Nc1ccc(C2(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)CCC2)cc1 1790183276 ORIYAIJFFXDFGS-UHFFFAOYSA-N 448.479 4.009 5 20 IIBD CC(=O)C[C@@H](C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])cc2)CCC1 1792317296 LXBBOLKYFDHFEO-MSGBMKDASA-N 449.507 4.357 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCCC2(CCN(C(=O)c3ccsc3)CC2)C1 1806490707 UWMSJCLKCAJQMG-UHFFFAOYSA-N 441.553 4.134 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1)c1ccc(C2CC2)cc1 1821302461 VAUBOMRPEAGGOZ-SFHVURJKSA-N 449.467 4.408 5 20 IIBD CCC[C@H]1CC[C@H](C(=O)N2CC3(CCCN3C(=O)Cc3cc([N+](=O)[O-])ccc3F)C2)CC1 1841877826 XDCSQJDPZISFCE-IYARVYRRSA-N 445.535 4.086 5 20 IIBD C[C@H](C(=O)N1CC2(CCCN2C(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)C1)c1ccccc1 1845144157 ZWSUCGCJFSIEKZ-IBGZPJMESA-N 447.535 4.024 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N(C)Cc2cccc(OC)c2)c([N+](=O)[O-])c1 29302177 PTKKXTVNYSVQHF-UHFFFAOYSA-N 434.448 4.257 5 20 IIBD Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 110322704 RORSHMKWNYDTQW-UYAOXDASSA-N 439.512 4.239 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccnn1Cc1ccccc1 57979953 MZVSTFXBFSJFCP-UHFFFAOYSA-N 433.390 4.299 5 20 IIBD COCc1nc(C(=O)O[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)cs1 109187014 ROKIFYKQXZTPRP-LJQANCHMSA-N 441.465 4.043 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(Nc2ccc(N3CCc4sccc4C3)cc2)s1 302205027 WPMPUJRXRZYHNG-UHFFFAOYSA-N 435.552 4.428 5 20 IIBD Cc1csc(Sc2ccc(C(=O)OCC(=O)N(C)C3CCCCC3)cc2[N+](=O)[O-])n1 28831702 DHTYNTMEKLFTGD-UHFFFAOYSA-N 449.554 4.459 5 20 IIBD CCCCN1C(=O)CC[C@@H](C(=O)OCc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1OC 28238269 LNPQROTZALFIFZ-AUSIDOKSSA-N 440.496 4.427 5 20 IIBD CCOC(=O)c1nc(N(CCc2ccccc2)C(=O)c2ccc([N+](=O)[O-])s2)sc1C 60638791 IJDFUDUJJDCGGZ-UHFFFAOYSA-N 445.522 4.487 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)CSc1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] 22189068 DIYGXGHOCVUQNE-QGZVFWFLSA-N 438.452 4.164 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1SCC(F)F 303844501 MMICBVFECRUGOI-SNVBAGLBSA-N 443.859 4.362 5 20 IIBD COc1ccc(Br)cc1CSc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 507621342 XSHDAQKTKVEBIG-UHFFFAOYSA-N 432.317 4.062 5 20 IIBD Cn1cc(C(=O)NCCCCOc2ccc(Cl)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 506099440 QKJGQGDBZSQFQL-UHFFFAOYSA-N 428.876 4.238 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1 506712905 FRYALGLEMWMVTN-UHFFFAOYSA-N 444.900 4.011 5 20 IIBD O=C(NCc1ccsc1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 500220024 RNWSHDYIMVXMRH-UHFFFAOYSA-N 442.566 4.412 5 20 IIBD Cc1nc2c3ccccc3nc(S[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2n1 45698873 XOBLIZFUZXGAHL-JTQLQIEISA-N 442.888 4.267 5 20 IIBD Cc1nc(CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(F)c(F)c2)c(C)s1 507870094 JXQWNJOLXJCOLT-UHFFFAOYSA-N 439.465 4.342 5 20 IIBD O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1I 508770805 QHPRTRJUSLOCFI-YNEHKIRRSA-N 428.270 4.288 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)cc([N+](=O)[O-])c1 509607015 DXKIBWJNZCQRDT-UHFFFAOYSA-N 439.468 4.086 5 20 IIBD O=C(NCCc1nc(C(F)(F)F)cs1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 426014118 CCHCIUWSQICFIT-UHFFFAOYSA-N 442.341 4.131 5 20 IIBD CN(CCCOc1cccc(S(C)(=O)=O)c1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 512253169 OCEVUCJQOMIDBX-UHFFFAOYSA-N 444.509 4.159 5 20 IIBD Cc1cc(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)c2cnn(C(C)C)c2n1 195557867 NFQMUIJPXVAXFT-UHFFFAOYSA-N 435.406 4.434 5 20 IIBD Cc1ccc(-n2cnnc2S[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl 517554843 LSBABKQRYBWFHX-QGZVFWFLSA-N 429.889 4.035 5 20 IIBD COc1cc(CN(C)C(=O)c2ccc([N+](=O)[O-])c(OC)c2)ccc1OCc1ccccc1 511081202 SRGSVAUKQDIAAT-UHFFFAOYSA-N 436.464 4.463 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] 519119838 NYCVWJWBGDQDEE-MRXNPFEDSA-N 431.514 4.027 5 20 IIBD Cc1ccc(Cc2cnc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1C 515161877 PPSXPOLWOSYWPG-UHFFFAOYSA-N 438.509 4.018 5 20 IIBD C[C@H](Cc1cccc(O)c1)NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 427657788 SARAPRBZTRPPJS-LLVKDONJSA-N 435.267 4.154 5 20 IIBD O=C(NC[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1)Nc1cccc(F)c1 97570403 ZROTUYUONYEKMZ-CYBMUJFWSA-N 434.855 4.061 5 20 IIBD Cc1c(Br)cc(C(=O)N(Cc2ccccc2)C2CCN(C)CC2)cc1[N+](=O)[O-] 510481809 ZJVIXHWOVJKABD-UHFFFAOYSA-N 446.345 4.402 5 20 IIBD Cc1csc(Sc2ccc(NC(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)cc2)n1 516750164 SSIFSNYEADBIGM-UHFFFAOYSA-N 449.535 4.167 5 20 IIBD COc1ccccc1[C@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)N1CCCCC1 511422722 SQTCKBRYLAHJGP-QFIPXVFZSA-N 440.544 4.015 5 20 IIBD CC(C)(NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1)c1ccc([N+](=O)[O-])cc1 431422147 OFQGALCBDYQTJU-OAHLLOKOSA-N 428.464 4.029 5 20 IIBD CCn1c([C@H]2CCCN2CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)nc2ccccc21 437656095 ZVXYZMJPOIUQLI-LJQANCHMSA-N 435.484 4.100 5 20 IIBD O=C(N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 437408555 JEORQUAFUJJWIV-KOMQPUFPSA-N 430.386 4.475 5 20 IIBD COc1cc(CCNC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2Cl)c([N+](=O)[O-])cc1OC 520335496 ZIADQEWUTVHRST-KGLIPLIRSA-N 439.295 4.381 5 20 IIBD CC(C)(C)Oc1cc(F)ccc1NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437033437 NYJXIFKFCNWSRE-UHFFFAOYSA-N 429.448 4.041 5 20 IIBD CN(C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 437953782 KTXFFKXPTYTGOS-STZQEDGTSA-N 441.553 4.070 5 20 IIBD COC(=O)[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccc(Br)cc1 520169229 GFHDOFVTJZBTDO-INIZCTEOSA-N 449.282 4.216 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 603950362 DQKAXKSSBVVZKN-UHFFFAOYSA-N 438.465 4.011 5 20 IIBD Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)ccc1OC1CCOCC1 432317527 JOGZUECASOKBOV-UHFFFAOYSA-N 437.452 4.027 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(Oc2ccc(C(C)C)cc2)CC1 603890400 GTSZPEULHUIJON-UHFFFAOYSA-N 427.501 4.209 5 20 IIBD C[C@H](c1nnc(SCCOc2ccccc2[N+](=O)[O-])n1-c1ccc(F)cc1)N(C)C 603897740 NECWVZUNBYWVBQ-CQSZACIVSA-N 431.493 4.108 5 20 IIBD Cc1cc(Sc2ncccn2)ccc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 523392702 GLBLKDNRKJXRNK-UHFFFAOYSA-N 432.465 4.282 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1cc2ccccc2c2cccnc12 525598316 DIWZRLKVWBBWKY-UHFFFAOYSA-N 446.532 4.210 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cccc(-c2ccc3c(c2)OCCO3)n1 609382804 DZZJHVNVCDUPNA-UHFFFAOYSA-N 430.420 4.021 5 20 IIBD COc1ccc([C@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c2ccccc2)cc1 603659657 GLMPFJJCYMJYEX-HSZRJFAPSA-N 428.448 4.309 5 20 IIBD O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1[C@H](O)C(F)(F)F 442632964 GUVCCUWPSHMMNQ-PBHICJAKSA-N 426.416 4.274 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] 603569054 RIOJCOUOEBJCTB-LLVKDONJSA-N 427.682 4.437 5 20 IIBD CCn1cc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)cn1 535729323 MIEPBGPHPAXPEN-UHFFFAOYSA-N 427.892 4.349 5 20 IIBD O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CCCc2cc(F)cc(F)c21 534303481 CJKXVUBQGJTVFA-UHFFFAOYSA-N 444.175 4.071 5 20 IIBD Cc1ccc(C)c(Oc2ccc(CNc3cccc(S(C)(=O)=O)c3[N+](=O)[O-])cn2)c1 535018046 RQLAXSKOPUKYGZ-UHFFFAOYSA-N 427.482 4.415 5 20 IIBD CN(Cc1ccccc1NC(=O)NCCc1cccc([N+](=O)[O-])c1)C(=O)c1cccs1 534734127 XBEDYGGBEWDPRL-UHFFFAOYSA-N 438.509 4.293 5 20 IIBD Cc1cc(C)c(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cc1CO 615893001 HYVIOBJUGDPLIG-UHFFFAOYSA-N 435.267 4.449 5 20 IIBD O=C(CCc1cc(Cl)ccc1Br)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444635245 KHWFWGXSIASUBG-UHFFFAOYSA-N 437.681 4.136 5 20 IIBD COCc1nc(CNCc2cc(OC)c(OC)cc2[N+](=O)[O-])c(-c2ccccc2)s1 441379394 DQEAQWVFCUPYTN-UHFFFAOYSA-N 429.498 4.172 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C 444733964 XWVMQOBIOPDSPO-VBKZILBWSA-N 433.892 4.047 5 20 IIBD COc1ccccc1C(C)(C)CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 610349453 QVLCQILUWBLGRJ-UHFFFAOYSA-N 427.501 4.134 5 20 IIBD CC[C@@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)C(C)(C)c1ccccc1 610177411 KQEQWBDGXQUSIZ-LJQANCHMSA-N 439.541 4.361 5 20 IIBD COc1cc(CN2CC[C@H](C)[C@@H](n3ccnc3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 539929460 ZSBXKZWEDXJNHC-AVRDEDQJSA-N 436.512 4.462 5 20 IIBD O=C(NC[C@H]1CCN(c2ccc(Cl)cc2)C1)c1cc([N+](=O)[O-])ccc1OC(F)F 611512287 MZMZVTOKDXSAPR-GFCCVEGCSA-N 425.819 4.106 5 20 IIBD COc1cc(OCc2nc([C@H](C)c3ccc(Br)cc3)no2)ccc1[N+](=O)[O-] 545837818 RCHUKVCUBYGUGT-LLVKDONJSA-N 434.246 4.480 5 20 IIBD COc1ccc(CCc2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)cc1OC 544997906 FNEFDYUBBYTGFU-UHFFFAOYSA-N 448.273 4.134 5 20 IIBD CC(C)c1nc(Cc2noc(-c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)n2)cs1 544624870 BAJQJZVDEWOOIS-UHFFFAOYSA-N 443.514 4.095 5 20 IIBD C[C@@H]1CCCN1C(=O)c1ccc(-c2noc(Cn3ccc4cc([N+](=O)[O-])ccc43)n2)cc1 546560189 ITEYGZGOUSIYNC-OAHLLOKOSA-N 431.452 4.272 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@@H](c2cccc(Cl)c2)C2CCCC2)cc1[N+](=O)[O-] 542064842 DIYKDGZQOIHXDO-LJQANCHMSA-N 431.876 4.243 5 20 IIBD CCOC(=O)c1ccnc(N2CC=C(c3cccc(Br)c3)CC2)c1[N+](=O)[O-] 546583481 VTTOGZCXEGMXSV-UHFFFAOYSA-N 432.274 4.223 5 20 IIBD C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 463884545 FNMNDMOOJOUFDF-GFCCVEGCSA-N 443.372 4.411 5 20 IIBD COc1cc([C@H](C)NCC(=O)Nc2ccccc2[N+](=O)[O-])ccc1OCc1ccccc1 540352727 WTACZSDJAISYBG-KRWDZBQOSA-N 435.480 4.472 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 468731594 ABVHOUWAKVQVTA-UHFFFAOYSA-N 432.395 4.300 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 462692937 PMIXYAAZURVUKS-CZUORRHYSA-N 431.297 4.100 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 462986433 GHILWBOGGMVNSA-GOSISDBHSA-N 433.512 4.355 5 20 IIBD CCOc1ccc(Br)cc1CN(C(=O)Cc1cccc([N+](=O)[O-])c1)C1CC1 460154920 FKRIWISNYOXYDT-UHFFFAOYSA-N 433.302 4.490 5 20 IIBD CCOCCOCc1cccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1C 465343660 MUGKIUQJSRYNHL-UHFFFAOYSA-N 427.501 4.309 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl 464011776 KAWJPPZOJJQPKA-JTQLQIEISA-N 428.247 4.473 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1ccccc1Sc1ccccc1 559035321 ZKGTXYNAKIWYIN-UHFFFAOYSA-N 435.505 4.386 5 20 IIBD O=C(NCc1cccc(COCC(F)(F)F)c1)NCc1ccc([N+](=O)[O-])cc1Cl 467230368 NNQXANUJLZCGRM-UHFFFAOYSA-N 431.798 4.327 5 20 IIBD CCOC(=O)[C@H]1CCCN1C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 468668853 UWYNVWYCUCBKRC-GOSISDBHSA-N 431.876 4.028 5 20 IIBD C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 462573176 ABYGCPAGKGZJIN-KRWDZBQOSA-N 438.505 4.402 5 20 IIBD COc1cccc(Oc2ncccc2CN[C@H](c2ccc([N+](=O)[O-])cc2)c2nccn2C)c1 552247726 YIDYSWYLPHLZRR-JOCHJYFZSA-N 445.479 4.403 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(Oc2ccc(Cl)cn2)cc1 462186912 GVDHMWNDBLIQOA-UHFFFAOYSA-N 428.832 4.495 5 20 IIBD Cn1nccc1COCC(=O)Nc1cc([N+](=O)[O-])ccc1Nc1cccc(C(F)(F)F)c1 551194428 GCGRLGBDBZKWJR-UHFFFAOYSA-N 449.389 4.246 5 20 IIBD C[C@@H]1CN(c2cccc(F)c2)CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 557914756 QZGVCCFWGKFWOF-GOSISDBHSA-N 429.495 4.031 5 20 IIBD COC(=O)c1cc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2)c(C)c([N+](=O)[O-])c1 552534642 DGOZSDHUYBIOBM-UHFFFAOYSA-N 448.357 4.147 5 20 IIBD COc1cc(C(=O)N(C)[C@H](c2ccc(Cl)cc2)c2cnccn2)cc([N+](=O)[O-])c1C 478496849 HCLYRNDOPACEHD-HXUWFJFHSA-N 426.860 4.217 5 20 IIBD O=C(c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2)N1CC[C@@H](O)C1 472375199 QUGAVVNXXAAOAO-BLMOFCDVSA-N 429.476 4.227 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 800013259 UQNJEZWGFLLDTK-RBUKOAKNSA-N 426.473 4.119 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1c(F)cccc1N1CCCC1 560965825 ICEDGRWFFQNPNR-UHFFFAOYSA-N 429.495 4.210 5 20 IIBD CCCCN(C(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1)[C@H]1CCC[C@@H](C)C1 569161926 MZUZHPPJLQKJKI-NQIIRXRSSA-N 444.576 4.084 5 20 IIBD CCOC(=O)c1cc(C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)cc([N+](=O)[O-])c1 477880296 QLSXANCCHGPZEJ-GOSISDBHSA-N 434.395 4.180 5 20 IIBD O=C(c1ccc(F)cc1)N1CCCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 809934233 MTYXONRKSFCJJF-UHFFFAOYSA-N 426.275 4.389 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](N[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccccc1 471644724 CGZMZQRKSDBXOY-FRTACKCFSA-N 429.904 4.475 5 20 IIBD O=C(OCc1nc2ccc(Br)cc2o1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 803090421 DSDGZKGMNWDLRD-UHFFFAOYSA-N 443.213 4.041 5 20 IIBD CNC(=O)c1cc(Oc2ccc(NCc3cc(OC)c(F)cc3[N+](=O)[O-])cc2F)ccn1 568457769 LSTJCNWTRPKQQI-UHFFFAOYSA-N 444.394 4.041 5 20 IIBD C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 806368614 ZCHGTYGJFLCLEJ-LLVKDONJSA-N 449.309 4.215 5 20 IIBD COC(=O)[C@H]1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@H]1C 476781289 VLIZDJCXUIIWFB-DYVFJYSZSA-N 432.860 4.312 5 20 IIBD COc1cc(C(=O)Nc2cccc(OCCF)c2)c([N+](=O)[O-])cc1OCc1cscn1 470109500 KFHPOXMWDBSZOZ-UHFFFAOYSA-N 447.444 4.240 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc3ccn(C)c(=O)c3c2)cc1 560834419 ZSUKFEORYBAELS-UHFFFAOYSA-N 445.431 4.500 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])OC[C@@H]1CCN(C(=O)c2ccccc2)C1 801306779 GDMKFBNTMMKNIO-CQSZACIVSA-N 434.901 4.046 5 20 IIBD O=C(CCN1CCC[C@H]1c1ccc(Br)cn1)Nc1cc([N+](=O)[O-])ccc1F 815112095 VSVUJBBLFKZINW-KRWDZBQOSA-N 437.269 4.057 5 20 IIBD COC(=O)c1cc(NC(=O)Nc2ccc(NC(=O)CC(C)C)cc2)c(C)c([N+](=O)[O-])c1 486858001 LNPYRZZUDZRKMM-UHFFFAOYSA-N 428.445 4.318 5 20 IIBD O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 485457123 YGJMECMKLPMJDS-UHFFFAOYSA-N 441.875 4.215 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc(Oc2cccc(F)c2F)nc1 489149118 LBWBHNQDTRROMI-UHFFFAOYSA-N 430.367 4.391 5 20 IIBD CC(C)(C)Oc1cc(NCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)ccc1[N+](=O)[O-] 485082648 ZEKRNQSXGRYADI-LJQANCHMSA-N 440.544 4.082 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)c(Cl)c1 481865407 PNMHFTXUXIPMMW-UHFFFAOYSA-N 449.272 4.360 5 20 IIBD C[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1cccc([N+](=O)[O-])c1 486212825 FLRGBYUZKVQUNF-PIGZYNQJSA-N 437.283 4.067 5 20 IIBD CC[C@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1cc(F)cc(Br)c1 485931264 IPRMHMBXKYCZDQ-INIZCTEOSA-N 445.310 4.110 5 20 IIBD CCc1ccc(NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1S(N)(=O)=O 577654149 KQPBOQPUZRZTRT-UHFFFAOYSA-N 445.472 4.348 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 813798006 YMCVQESDTOWALH-GOSISDBHSA-N 446.548 4.101 5 20 IIBD O=c1c2ccccc2nc(SCc2c(Cl)cccc2[N+](=O)[O-])n1C[C@H]1CCCO1 487670224 CJHUPVWDSGZRIY-CYBMUJFWSA-N 431.901 4.429 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1-n1nc(C)cc1C 489192087 AQUHSFKAKUCRBI-UHFFFAOYSA-N 440.525 4.066 5 20 IIBD COc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])o2)c2ccccc2)cc1Br 485261703 YVNVXMYWBFEJGS-GOSISDBHSA-N 431.242 4.478 5 20 IIBD O=C1CCCCC[C@H](C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)C1 813416525 PVNAXLLSFHNAGF-PKOBYXMFSA-N 430.501 4.062 5 20 IIBD CN(C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(Cl)c(C(F)(F)F)c1 572643882 SMXPXJFHGVBKGS-UHFFFAOYSA-N 430.766 4.244 5 20 IIBD Cc1sc(NC(=O)C(C)C)c(C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1C 727529039 KUKNYTUTCZPRIV-UHFFFAOYSA-N 444.469 4.275 5 20 IIBD Cn1nncc1COC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 811063537 LCLPUPGHJQIJCI-GDNBJRDFSA-N 435.465 4.007 5 20 IIBD CN([C@H](c1ccccc1)C(F)(F)F)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] 815009271 CQKNCQWJTYJEJI-CQSZACIVSA-N 426.775 4.311 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC12CCC2 816852958 BXGQYEUSBQBVCT-KRWDZBQOSA-N 444.532 4.221 5 20 IIBD CC(C)N1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CC1 481131186 LDDOEOMGNMHDJT-UHFFFAOYSA-N 430.936 4.463 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-] 494028068 PEQXOJJGLYRVAQ-JTQLQIEISA-N 429.782 4.391 5 20 IIBD O=C(c1ccc(C(=O)N2CC[C@@H](CC3CC3)C2)c([N+](=O)[O-])c1)N1CC[C@H](CC2CC2)C1 576334977 NEXOFGNHAHNSLL-MOPGFXCFSA-N 425.529 4.119 5 20 IIBD O=C(COc1ccc(Oc2ccccn2)cc1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 498149462 KZGOCXKPYOQMCO-JOCHJYFZSA-N 437.477 4.435 5 20 IIBD O=C(NC1(Cc2ccc(F)cc2Br)CCOCC1)c1ccc([N+](=O)[O-])cc1 498562981 XUEQBJYHPLEPFL-UHFFFAOYSA-N 437.265 4.018 5 20 IIBD O=C(CN[C@H](c1ccccc1)C(F)(F)F)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 498131226 FZMRRHUYWHLEDG-QZTJIDSGSA-N 425.432 4.062 5 20 IIBD O=C(COc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1)Nc1cc([N+](=O)[O-])ccc1Cl 728788577 QHLRAXRAASYTHT-KRWDZBQOSA-N 444.831 4.167 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 496519773 LVBHGNQCFXXHSH-HRAATJIYSA-N 435.480 4.003 5 20 IIBD Cc1nn(CCC(=O)O[C@H](C)c2ccc(NC(=O)c3ccccc3)cc2)c(C)c1[N+](=O)[O-] 726735270 HPEKVRACGSUTMW-QGZVFWFLSA-N 436.468 4.355 5 20 IIBD CCNC(=O)c1cc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)nc2ccccc12 496816260 KYTAEOAQYFXIEP-UHFFFAOYSA-N 447.476 4.269 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)N(CCc2ccc(Cl)cc2)C[C@@H](O)C(F)(F)F)c1 589528961 ZVTBIFVEAXXLQG-QGZVFWFLSA-N 430.810 4.165 5 20 IIBD COc1cc(Cl)c(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1C 588857264 SRLFYFCMAFEZEP-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cc(-c3ccccc3)nn2C(C)C)cc1[N+](=O)[O-] 494039549 UOEBXWLEWNECBS-MRXNPFEDSA-N 435.484 4.164 5 20 IIBD O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)c1ccc([N+](=O)[O-])cc1Br 739733177 GSFWJKQTGJWEDE-CQSZACIVSA-N 434.073 4.128 5 20 IIBD COc1ccc(CNCCc2ccc3c[nH]nc3c2)cc1OCc1ccc([N+](=O)[O-])cc1 585743456 QNORMUCRUCAVOA-UHFFFAOYSA-N 432.480 4.391 5 20 IIBD O=C(NCC1(c2cccs2)CCCCC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 739603558 VAQSEFADBQUTKH-UHFFFAOYSA-N 429.542 4.125 5 20 IIBD COc1cc(Cc2noc(CCOc3cc(C)cc(C)c3C)n2)c([N+](=O)[O-])c(OC)c1 581923346 MYEOZHPDCUTHBD-UHFFFAOYSA-N 427.457 4.133 5 20 IIBD CCCCc1nc(-c2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)cc2)no1 732741672 QLJVPGJLQFHASB-UHFFFAOYSA-N 426.385 4.423 5 20 IIBD COc1ccc(Cn2ncc(C)c2NC(=O)c2cc(SC)ccc2[N+](=O)[O-])cc1OC 499764482 HGKGFXNBWIVDDC-UHFFFAOYSA-N 442.497 4.139 5 20 IIBD O=C(COC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 734923470 ZBYIBXAKNVJNKF-WDEREUQCSA-N 444.312 4.177 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1c1nc(-c2ccc(Oc3ccccc3)nc2)no1 904451903 XCIIGXKILSPNBC-INIZCTEOSA-N 447.407 4.402 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2CCCc3nc(C)ncc32)cc1 734799412 ZHCKTEZKZNAPEW-OAQYLSRUSA-N 434.452 4.302 5 20 IIBD O=C(CCn1cc([N+](=O)[O-])cn1)O[C@@H](CC(F)(F)F)c1ccc(Br)cc1 731993973 LUEBKRNDSVVDNB-ZDUSSCGKSA-N 436.184 4.181 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)CC2(O)CCCCC2)c2ccccc2)c([N+](=O)[O-])c1 734195720 AMPPUQLKBZNXHD-NRFANRHFSA-N 426.469 4.212 5 20 IIBD Cc1sc(NC(=O)CCOc2ccccc2[N+](=O)[O-])nc1-c1cccc([N+](=O)[O-])c1 917791430 RQOZLFLBMFWWFX-UHFFFAOYSA-N 428.426 4.343 5 20 IIBD O=C(NCc1ccccc1OCC(F)(F)F)c1cc([N+](=O)[O-])ccc1N1CCCCC1 917861478 URXSRQJZVPRJNI-UHFFFAOYSA-N 437.418 4.456 5 20 IIBD COC(=O)c1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(Cl)c2)c(Cl)cc1Cl 747253684 MUGUPVOTPYBKBR-UHFFFAOYSA-N 440.644 4.109 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 744554540 RHBOEQSVWHNLAL-INIZCTEOSA-N 441.484 4.086 5 20 IIBD CC(C)(C)OC(=O)N1CCc2cc(NC(=O)NCCc3ccccc3[N+](=O)[O-])ccc21 743137088 FMPXKHHONNQTOQ-UHFFFAOYSA-N 426.473 4.257 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OC[C@@H]1CCCN(C(=O)c2ccccc2)C1 749073918 IXOGWCPWQHBQFY-IAGOWNOFSA-N 428.510 4.171 5 20 IIBD CCOc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1OCC 748608294 RTVIKLPUMGWCBO-CQSZACIVSA-N 431.445 4.408 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC[C@H](O)c1ccc(Cl)cc1Cl 740482866 GISXAKSTALHPIW-SFHVURJKSA-N 426.300 4.257 5 20 IIBD C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1I)Sc1ccccc1 742787203 LRFREDYPSGBKFQ-LLVKDONJSA-N 442.278 4.110 5 20 IIBD CC(C)N(Cc1ccc(Br)cc1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 919953623 MLLNMFIIHWNGKJ-UHFFFAOYSA-N 430.306 4.484 5 20 IIBD CO[C@@H](C)c1nc(CN2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cs1 747530343 YPMIQKCCALUFLK-LBPRGKRZSA-N 430.452 4.100 5 20 IIBD CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 849194441 NISNWMJKWDTUBL-CVEARBPZSA-N 436.468 4.478 5 20 IIBD C[C@@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 741816431 OWTVZHZEDRGDTD-MRXNPFEDSA-N 445.431 4.185 5 20 IIBD C[C@H](OC(=O)CSc1ccccc1[N+](=O)[O-])C(=O)N[C@H](C)c1cc2ccccc2o1 856203424 NCMMJTUUTNGWDE-KGLIPLIRSA-N 428.466 4.242 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N(CCc1ccccc1)[C@H]1CCOC1 755028548 OEDAKKNRLMQZJT-INIZCTEOSA-N 434.290 4.223 5 20 IIBD C[C@@H](OC(=O)CCc1cc(F)ccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 920563230 RFRDSAARJDUPKN-SNVBAGLBSA-N 446.328 4.395 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)Oc1c(Br)cccc1Br 921290111 CBBGTFWLSACPPA-UHFFFAOYSA-N 431.036 4.104 5 20 IIBD CC(C)[C@H](CCN(C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)NC(=O)OC(C)(C)C 756965657 PLOLYUKPGUJGJC-KRWDZBQOSA-N 442.944 4.329 5 20 IIBD CCc1noc(C)c1COC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 757975514 LOLPUNXVFGEEBN-UHFFFAOYSA-N 441.406 4.432 5 20 IIBD O=C(Nc1cccc(CC[C@@H](O)c2ccccc2)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 754958432 UVRJYLKLOXQNJX-HSZRJFAPSA-N 443.463 4.094 5 20 IIBD Cn1cc(C(=O)OCc2noc(-c3cccc(Cl)c3)n2)c(-c2ccc([N+](=O)[O-])cc2)n1 756383966 BABZCVYQJCIGMW-UHFFFAOYSA-N 439.815 4.056 5 20 IIBD COc1ccc(C(=O)[C@H](C)OC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1Cl 758424483 JDLAJOVDHGUXES-LBPRGKRZSA-N 443.843 4.086 5 20 IIBD CCN(CC)[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1ccccc1 754639510 JHYUVWZGEGGKPV-KRWDZBQOSA-N 438.297 4.309 5 20 IIBD O=C(O[C@H]1CCN(c2cccc(Cl)c2)C1=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 750341364 URRSAFJQPIVGCT-KRWDZBQOSA-N 443.868 4.334 5 20 IIBD O=C(OCc1cc(F)ccc1[N+](=O)[O-])[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 751110869 PLXGLTUFAHRWIM-IBGZPJMESA-N 426.366 4.232 5 20 IIBD Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 757255281 HTACWXUEAYLDLC-UHFFFAOYSA-N 447.879 4.370 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)c1C 765078868 GIELQNZRCRIPJZ-UHFFFAOYSA-N 434.861 4.248 5 20 IIBD Cc1noc(-c2ccccc2)c1NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 766363884 VVCXBXXFIHENMI-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)Nc1ccc(N2CCCCCC2)cc1 763714261 DEGFBYASTAQVLR-UHFFFAOYSA-N 431.876 4.424 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(N[C@H]3CCN(c4ccccc4OC(F)F)C3)CC2)cc1 766058639 KMOQSLKUDSJSJS-KRWDZBQOSA-N 432.471 4.034 5 20 IIBD O=C(OCc1coc(-c2c(F)cccc2F)n1)c1cc(Br)ncc1[N+](=O)[O-] 769841379 XVWLYMFUWSPJJN-UHFFFAOYSA-N 440.156 4.043 5 20 IIBD Cc1cc(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)cc1Br 768676244 WPDGSDUVPSIZMM-UHFFFAOYSA-N 432.230 4.381 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(-n3cncn3)cc2)cc1 1115867188 LBGKUYJTIVCMTP-UHFFFAOYSA-N 431.408 4.229 5 20 IIBD O=C(O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)c1csc(Cc2ccccc2F)n1 778799002 JMQNBUCTANOXTD-HNNXBMFYSA-N 445.447 4.356 5 20 IIBD CC(=O)Nc1cccc(NC(=O)[C@@H](OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(C)C)c1 877054690 HFWCVWNUVSLZKT-SFHVURJKSA-N 433.848 4.027 5 20 IIBD CC(C)c1[nH]nc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)c1[N+](=O)[O-] 771468529 AYLHUNSBVQPAQI-UHFFFAOYSA-N 429.477 4.381 5 20 IIBD Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c(Cl)cc1Cl 778087521 IAQYSKOFNWBIQZ-UHFFFAOYSA-N 441.090 4.168 5 20 IIBD Cc1nc(NCc2ccc([C@H](C)O)cc2)nc(NCc2ccc([C@H](C)O)cc2)c1[N+](=O)[O-] 774526689 RJVCBGAHIHSMTF-HOTGVXAUSA-N 437.500 4.024 5 20 IIBD CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 776778321 SBLCARCYBHMAMZ-VSGJHWFKSA-N 445.523 4.183 5 20 IIBD C[C@H](CC(=O)N(C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1c[nH]c2ccccc12 786318206 WOJCPFNADLCVCK-GFCCVEGCSA-N 435.889 4.070 5 20 IIBD C[C@H](CN(C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)Oc1ccc(Cl)c(Cl)c1 787550108 KVKNYBVTPDUBOO-SNVBAGLBSA-N 428.228 4.349 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 784437340 DHMVPKLZTIICMY-LJQANCHMSA-N 445.438 4.381 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCCOc1ccccc1-c1ccccc1 781612819 RGCHXHHQXHZBBQ-UHFFFAOYSA-N 435.436 4.298 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cccc(-n2c(C)nnc2S)c1 786482905 CHQAIRPSBGQLDN-UHFFFAOYSA-N 448.302 4.096 5 20 IIBD CC1CCN(c2ccc(C(=O)O[C@@H](C)C(=O)N(C)c3ccccc3)cc2[N+](=O)[O-])CC1 783281577 KEIQFAIYJFVXBF-KRWDZBQOSA-N 425.485 4.039 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)cc1[N+](=O)[O-] 781199568 AYFRMYQYRDGECZ-CQSZACIVSA-N 449.288 4.446 5 20 IIBD COc1cccc([C@@H]2C[C@H](C)CN2c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])c1 784181255 MALFZGHDTXFJMK-SJCJKPOMSA-N 426.441 4.187 5 20 IIBD CC(C)(C)OC(=O)NCCOc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 784692832 PLMMETPHMJRCAX-UHFFFAOYSA-N 435.864 4.404 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N(CC(C)C)CC(C)(C)C)cc1[N+](=O)[O-] 785115650 GWEFDADDBLVOQQ-UHFFFAOYSA-N 428.327 4.135 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1CS(=O)(=O)c1ccccc1 783578736 DGTAXFZGBTUWQI-UHFFFAOYSA-N 429.425 4.065 5 20 IIBD CC(C)(C)OC(=O)N1Cc2ccc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3F)cc2C1 780669997 WTAYIACVBXHKMJ-UHFFFAOYSA-N 430.436 4.306 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] 784621295 AMTDVWOBYOUTBD-BFHYXJOUSA-N 438.322 4.079 5 20 IIBD COC(=O)COc1ccc(CN2CCCCC[C@H]2C[C@H](O)c2cccs2)cc1[N+](=O)[O-] 789515192 YNOSBJSHPJSFNM-HKUYNNGSSA-N 448.541 4.076 5 20 IIBD Cc1c([N+](=O)[O-])cn(Cc2cccc(NC(=O)OC(C)(C)C)c2)c(=O)c1Br 783924363 MDGUWNGSYDLXFO-UHFFFAOYSA-N 438.278 4.223 5 20 IIBD CCCc1[nH]nc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)c1[N+](=O)[O-] 796265208 IXWKCCHMHOTJAX-AWEZNQCLSA-N 438.440 4.247 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)Cc1cccc(Br)c1 795592405 XEIMIQGAQIULCO-UHFFFAOYSA-N 430.613 4.118 5 20 IIBD COc1ccc([C@@H](O)C2CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC2)cc1 794464637 QFSWKNAYUVQLBQ-JOCHJYFZSA-N 426.513 4.487 5 20 IIBD CC(C)c1[nH]nc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1[N+](=O)[O-] 796254410 HMKBSSKLGKVFNN-QMMMGPOBSA-N 448.785 4.298 5 20 IIBD CCCN(C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)c1cccc([N+](=O)[O-])c1 799411732 SVOVASYTLVBCEU-UHFFFAOYSA-N 437.456 4.421 5 20 IIBD COc1cc(COC(=O)[C@@H](C)[C@H]2OCCc3sccc32)c([N+](=O)[O-])cc1OC(F)F 796502137 BRMYLYRZRZOGKN-DYZYQPBXSA-N 443.424 4.260 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)CCc1ccc(N(C)C)cc1 790122079 IKEICULISFQKTN-UHFFFAOYSA-N 437.500 4.081 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1nnc(-c2ccc(Cl)cc2F)s1 791870196 OLSBLDGGLOTKQV-UHFFFAOYSA-N 426.788 4.062 5 20 IIBD C[C@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1OCCCO 794788832 YHYNJXIZWVSORX-MFNCVGGLSA-N 449.301 4.009 5 20 IIBD CCOc1c(Cl)cccc1CC(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 791505125 XHYBYCIGIKLTQF-NSHDSACASA-N 441.267 4.413 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N2CC[C@@H]3OCCC[C@@H]3C2)cc1[N+](=O)[O-] 1319454366 IGUZKFKJPIJTOP-UZLBHIALSA-N 440.521 4.189 5 20 IIBD COc1ccc(C[C@H](C)N(C)C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 1318137774 WNDYVOTXDHZTGJ-ZDUSSCGKSA-N 426.391 4.248 5 20 IIBD Cc1ccc(CC2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1 1320963308 NVMQTWUPNMLFNX-IBGZPJMESA-N 441.553 4.051 5 20 IIBD Cc1ccc([N+](=O)[O-])c(-c2nnc(-c3ccccc3NS(=O)(=O)c3cccs3)o2)c1 1322747563 RAIHBKYADHKHDZ-UHFFFAOYSA-N 442.478 4.483 5 20 IIBD Cc1ccc(OCc2nnc([C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)o2)cc1C 1345658567 UGILFKSIJPSVBE-HXUWFJFHSA-N 436.468 4.459 5 20 IIBD Cc1ccsc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)cc([N+](=O)[O-])c1C 1800710092 POBKWEBARVUINN-MUJYYYPQSA-N 447.944 4.492 5 20 IIBD Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2(C)CCCC2)C3)cc(Cl)cc1[N+](=O)[O-] 1800708707 BRAVQVDABZQLHI-BJWYYQGGSA-N 433.936 4.389 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC2(CCCN(C(=O)c3sccc3F)C2)CC1 1806315193 KRTYBCYOGHXPLP-UHFFFAOYSA-N 449.479 4.093 5 20 IIBD CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])[nH]n1 1816828890 IXKZSAJVSIJAKQ-MRXNPFEDSA-N 447.923 4.252 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])[nH]n1)C1=CCCC1 1816703396 WPVMDIJFRRVUPH-DRUFCSCSSA-N 435.484 4.134 5 20 IIBD C[C@@H]1C[C@]1(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])[nH]n1 1820772202 FNAYSLLVGSMKBV-APDNACMJSA-N 437.500 4.070 5 20 IIBD C/C=C(/C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(C)c([N+](=O)[O-])c2)CC1 1830364462 QNUDLGDBPUZVEV-FUYMZIHESA-N 427.545 4.032 5 20 IIBD CC(=O)Nc1ccc(C2(NC(=O)c3cccc([N+](=O)[O-])c3Br)CCC2)cc1 1787816234 FXKBCKWVJVVCCR-UHFFFAOYSA-N 432.274 4.125 5 20 IIBD C/C(=C\c1ccc(C)o1)C(=O)NC1(c2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)CCC1 1789690697 MZXOJKZOJLKXMB-WYMLVPIESA-N 449.467 4.071 5 20 IIBD CC(C)(C)OCC(=O)NC1(c2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)cc2)CCC1 1785792362 YBOONMGREAKXAO-UHFFFAOYSA-N 439.512 4.087 5 20 IIBD CC1(C(=O)Nc2ccc(C3(NC(=O)Cc4cc(F)ccc4[N+](=O)[O-])CCC3)cc2)CC1 1787603169 BVBFCNZSTKUCEP-UHFFFAOYSA-N 425.460 4.211 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C)c([N+](=O)[O-])cn4)CCC3)cc2)ccn1 1789750880 OCWODNZNCGFBKY-UHFFFAOYSA-N 445.479 4.063 5 20 IIBD Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc([N+](=O)[O-])o2)c(Cl)c1 1793277708 QNBKMOMJYUESSE-PYNLGSQFSA-N 443.887 4.115 5 20 IIBD CC1(C(=O)NC2(c3ccc(NC(=O)Cc4ccc([N+](=O)[O-])cc4F)cc3)CCC2)CC1 1791183550 NRXRZWDSHNLQNK-UHFFFAOYSA-N 425.460 4.211 5 20 IIBD C[C@@H](OC(=O)CCNc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1Cl 11311615 PNWZFDAGZYVKCC-LLVKDONJSA-N 426.256 4.274 5 20 IIBD COc1ccc(OCC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccco2)c([N+](=O)[O-])c1 14351133 NHFKNXBXKQGOKB-LJQANCHMSA-N 435.436 4.262 5 20 IIBD C[C@H]1CC(=O)c2c(Oc3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])ccc(F)c21 15141306 XGKWCNSSYUWIFZ-ZDUSSCGKSA-N 448.472 4.391 5 20 IIBD CC(C)c1ccc(-n2nnnc2SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 15516614 UWIBGLKXDGJTEJ-UHFFFAOYSA-N 432.893 4.078 5 20 IIBD NC(=O)c1ccc(COC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c([N+](=O)[O-])c1 16804720 RTSBSYBOZZTETC-UHFFFAOYSA-N 439.038 4.059 5 20 IIBD C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] 17273379 NTKVSYKMLOUKBH-LBPRGKRZSA-N 429.527 4.293 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1 19425972 PNKGXMRJLUYPFE-UHFFFAOYSA-N 449.847 4.391 5 20 IIBD CCn1c(SCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)nc2cc3ccccc3cc2c1=O 11061782 LQSWPMUXSJXFMU-UHFFFAOYSA-N 448.504 4.233 5 20 IIBD C[C@H](OC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C(=O)NC(C)(C)C 16868757 RNVQDISCVFUXJN-ZDUSSCGKSA-N 433.892 4.320 5 20 IIBD O=C(COC(=O)c1ccccc1OC(F)F)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 21728249 PLFMVSRCIWXEQX-UHFFFAOYSA-N 434.273 4.011 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N(C)Cc1ccsc1 24134290 YUCFSDBZJCKTJT-UHFFFAOYSA-N 433.511 4.102 5 20 IIBD O=C(CN[C@H](c1ccccc1)c1ccccn1)Nc1ccc([N+](=O)[O-])cc1Br 25415820 GZZJYEKDYCUSAW-HXUWFJFHSA-N 441.285 4.070 5 20 IIBD O=C(OCC(=O)N1CCCC1)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 26426568 ZBJQRFPNWJCZQO-UHFFFAOYSA-N 443.506 4.135 5 20 IIBD CCOc1ccc([C@H](NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])c2ccccc2)cc1 30420917 GEJYQDSLTDZRLA-JOCHJYFZSA-N 442.493 4.070 5 20 IIBD CCOc1ccc(-c2nc(C)c(C(=O)NCCNc3ccc([N+](=O)[O-])cc3)s2)cc1 43773042 AMHSXRQZLKEOKG-UHFFFAOYSA-N 426.498 4.267 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NC2CCN(CC(C)C)CC2)c([N+](=O)[O-])c1 58603297 GITZUWGGHNJPGQ-UHFFFAOYSA-N 439.512 4.145 5 20 IIBD CC(C)CCSc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1[N+](=O)[O-] 60389233 WHDCUBOIBKEKQU-UHFFFAOYSA-N 427.482 4.211 5 20 IIBD COc1ccc([C@H](NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cc1 61915143 OUXKBRJLLCUJKR-HXUWFJFHSA-N 439.855 4.101 5 20 IIBD CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)c1 62866336 ASXDBSPWEIDOGD-INIZCTEOSA-N 432.432 4.434 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccc(Cl)cc1 63282573 WODIOEKTIMNKRO-CYBMUJFWSA-N 442.946 4.122 5 20 IIBD COCCN(C(=O)c1ccc2c(c1)COC2)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 64380313 XIFGHYRBICSSNH-UHFFFAOYSA-N 425.466 4.042 5 20 IIBD O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 106210128 NPUHFHIXDDJQGD-GOSISDBHSA-N 436.295 4.464 5 20 IIBD Cc1cccc(NS(=O)(=O)c2cc(NC(=O)c3csc([N+](=O)[O-])c3)ccc2C)c1 117278301 YFJXAKOHTPFSFY-UHFFFAOYSA-N 431.495 4.326 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(NCCc2cccs2)s1 248001056 SMTWWCLEZWEXEY-UHFFFAOYSA-N 435.556 4.202 5 20 IIBD C[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1cccc(NC(=O)c2ccccc2)c1 301104352 MOPSQVQTUVSUQW-OAHLLOKOSA-N 439.493 4.424 5 20 IIBD O=C1CCCN1CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2Br)c2ccccc21 301545948 DRJSHVHJFZVUTB-ZDUSSCGKSA-N 431.290 4.000 5 20 IIBD CN(CC(=O)Nc1ccccc1Br)c1cc(Br)ccc1[N+](=O)[O-] 301644381 CKQJDPINABBXCU-UHFFFAOYSA-N 443.095 4.195 5 20 IIBD CC(=O)N1CCc2cc(NC(=O)c3ccc(N4C[C@@H](C)C[C@H](C)C4)c([N+](=O)[O-])c3)ccc21 302056401 UGJFJLTXEAFMAN-HOTGVXAUSA-N 436.512 4.238 5 20 IIBD O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 303548532 JJHXCBWURWAIMR-UHFFFAOYSA-N 426.778 4.401 5 20 IIBD Cc1sc(CCNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)nc1-c1ccccc1 409665271 LLWOHKMJVUXEIJ-UHFFFAOYSA-N 433.493 4.185 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1CCC[C@H]1OCc1ccccc1 427562524 IGUVHPCIHQJOGG-RCZVLFRGSA-N 426.516 4.409 5 20 IIBD COc1ccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc1-c1ccn(C)n1 431182836 WFBIEDXTSFWXEM-UHFFFAOYSA-N 445.273 4.327 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NCc1ccc2c(c1)COC2 432035975 ILCURXMFYZNHDH-UHFFFAOYSA-N 425.466 4.038 5 20 IIBD CC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c1 432085084 MALKNDHYWRXZON-UHFFFAOYSA-N 433.667 4.014 5 20 IIBD O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC2(CCC2)c2cc(Br)ccc21 433732460 GESJVMOEVIORCG-UHFFFAOYSA-N 431.242 4.168 5 20 IIBD COc1ccc(NC(=O)c2ccc(N[C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)cc2)cc1 433733845 SNJFZWXIOMXANE-JOCHJYFZSA-N 446.463 4.073 5 20 IIBD COc1ccc(Cl)cc1-c1cc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 434975704 FSKNAVRMOMTMPM-UHFFFAOYSA-N 443.268 4.101 5 20 IIBD COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccc(O)c([N+](=O)[O-])c1)CCO2 436970486 LVMBOADSRYEGNP-HXUWFJFHSA-N 434.448 4.475 5 20 IIBD COc1ccccc1OCC(=O)Nc1cccc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)c1 438895802 PEYRFFIEUVYGJM-UHFFFAOYSA-N 449.463 4.111 5 20 IIBD CCOc1cc(C(=O)N(c2cc(NC(C)=O)ccc2OC)C(C)C)c([N+](=O)[O-])cc1OC 441604710 SEKDLDUEMFYDOQ-UHFFFAOYSA-N 445.472 4.024 5 20 IIBD O=[N+]([O-])c1ccccc1CN(C1CC1)S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 446916082 HYSYQIYTOFRAAM-UHFFFAOYSA-N 432.832 4.203 5 20 IIBD CC(C)(C)C(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 447008953 XUYVQIYVVFZDIZ-UHFFFAOYSA-N 441.303 4.387 5 20 IIBD CCn1c([C@H]2CCCN2c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])nc2ccccc21 447065629 BOCJVSUKNZHOPF-HXUWFJFHSA-N 444.495 4.270 5 20 IIBD COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cn1 448102435 KPAQBSVKUFZAQE-NSHDSACASA-N 445.419 4.153 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)Nc2nccc3sccc23)cc1[N+](=O)[O-] 461128834 PXHXVQJDZTZDSD-UHFFFAOYSA-N 428.289 4.076 5 20 IIBD O=C(c1ccc(F)c(F)c1)c1ccccc1C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 461395717 WVPCEWPGMGHSMI-UHFFFAOYSA-N 438.386 4.139 5 20 IIBD CCc1nnc(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)s1 461468505 LXMUUACYHMBCQH-UHFFFAOYSA-N 431.905 4.204 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCCc4ccccc4C3)n2C[C@H]2CCCCO2)c1 461871115 PIEPFEFQSDVPGJ-JOCHJYFZSA-N 433.512 4.375 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2nc3c(C)c(F)ccc3s2)ccc1[N+](=O)[O-] 465252524 ATUILBYFYNBUGZ-MRXNPFEDSA-N 442.472 4.204 5 20 IIBD CCOc1cc(NC(=O)NC[C@@H]2CCO[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OCC 466074285 UUXVWUWJWMBVNH-HRAATJIYSA-N 429.473 4.292 5 20 IIBD Cc1ccc(CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(OC[C@@H]2CCCO2)c1 466550087 BUHOXZDNEBOCEQ-XLIONFOSSA-N 427.501 4.330 5 20 IIBD Cc1c(C(=O)N2CCCCC[C@@H]2CC(=O)c2ccccc2)nnn1-c1cccc([N+](=O)[O-])c1 467534168 VEHCHBKRDSHAHV-LJQANCHMSA-N 447.495 4.142 5 20 IIBD COc1cc(C(=O)N2CCSc3ccc(C(F)(F)F)cc32)c([N+](=O)[O-])cc1OC 468944169 LDLOSHMVGJHRRX-UHFFFAOYSA-N 428.388 4.383 5 20 IIBD CN(C)CCN(Cc1ccc(Br)cc1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 470153517 ZWCLFYUCTDAJAQ-UHFFFAOYSA-N 439.285 4.092 5 20 IIBD CCc1ccc(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2Cl)cc1[N+](=O)[O-] 471281301 CNGHUWUREPMQIV-UHFFFAOYSA-N 439.921 4.093 5 20 IIBD Cc1nc(CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)oc1-c1ccc(Cl)cc1 473590260 BVSZFWWMNGCJCK-UHFFFAOYSA-N 437.843 4.327 5 20 IIBD O=C(NCc1cc(Br)ccc1Br)c1ccc(F)cc1[N+](=O)[O-] 476793803 FIWLIUXGHDHHQP-UHFFFAOYSA-N 432.043 4.189 5 20 IIBD COC(=O)c1cc(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1[N+](=O)[O-] 481939953 DIXYSIFIVAKEDE-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD O=C(N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc12 484037311 GTQIMVXDHYUUSL-HXUWFJFHSA-N 444.426 4.131 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)Nc3cccnc3)cc2)cc1SC 484780741 WZXWFDSVNSKJMO-UHFFFAOYSA-N 438.465 4.225 5 20 IIBD CSc1cccc(C(=O)N2C[C@H](CC(=O)N(C)C)c3cc(Cl)ccc32)c1[N+](=O)[O-] 486231644 PNMZNSQBIFMYOJ-LBPRGKRZSA-N 433.917 4.192 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCN(c2ccc(Br)cc2)C1 489490932 USXGNCPASPZIBR-GFCCVEGCSA-N 439.697 4.411 5 20 IIBD C[C@@H]1C[C@@H]1c1cc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n[nH]1 490250953 SATBFWVBANDRHR-RISCZKNCSA-N 437.422 4.315 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] 493211815 STMNLGKVJHUGQU-HNNXBMFYSA-N 443.479 4.099 5 20 IIBD O=C(NC[C@H](c1ccco1)N1CCCC1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 493440407 AJZGLZYKHODPJH-JOCHJYFZSA-N 435.480 4.334 5 20 IIBD O=C(Nc1ccc2nnc(C3CCC3)n2c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 494007161 ORGJBWIVFNAFJI-UHFFFAOYSA-N 435.362 4.098 5 20 IIBD CC[C@H]1Oc2cc([C@H](C)NC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)ccc2NC1=O 494465653 CCBMTYOOEZCRFO-VBKZILBWSA-N 438.484 4.140 5 20 IIBD COc1cc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)cc([N+](=O)[O-])c1OC 496914869 KPJJOZDUUNXYIY-UHFFFAOYSA-N 447.919 4.004 5 20 IIBD O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccc([N+](=O)[O-])c2cccnc12 498144919 CLATZKZYKGHUGL-INIZCTEOSA-N 444.413 4.166 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1 498402962 GOVSOWUTKYZXGQ-UHFFFAOYSA-N 446.529 4.366 5 20 IIBD CN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CCN(Cc2ccccc2)CC1 499512277 WCPMFZWBOHZHQI-UHFFFAOYSA-N 439.559 4.278 5 20 IIBD COc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)c(Cl)c1OC 500535685 YMSCOMOIRFHQFB-UHFFFAOYSA-N 443.681 4.000 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3nc([C@H]4CN(Cc5ccccc5)CCO4)no3)cs2)cc1 500806936 QLDYOXNACZVIJF-LJQANCHMSA-N 449.492 4.342 5 20 IIBD COc1cccc(C2=CCN(C(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)C2)c1 501637643 JGLHCVFUQWQJKH-UHFFFAOYSA-N 432.480 4.004 5 20 IIBD Cc1cnn(-c2ccncc2NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 504705477 BKURYYGXWFTVOU-MRXNPFEDSA-N 443.467 4.304 5 20 IIBD CN(C(=O)Cc1ccc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 506263795 ZDVFFIIJWSMCRI-UHFFFAOYSA-N 432.480 4.165 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)C[C@H]3OCCc4ccccc43)cc2[N+](=O)[O-])C1 506324620 DLZRELAWVFXVJB-QZTZHPFYSA-N 437.540 4.463 5 20 IIBD C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 506454782 KZFAPHGIEPUKSC-CYBMUJFWSA-N 448.882 4.065 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NC[C@H](C)COCc3ccccc3)cc2)c(C)c1[N+](=O)[O-] 507546601 HKMFWPKRCQQGMJ-KRWDZBQOSA-N 436.512 4.039 5 20 IIBD O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 507936321 JYVZDXLLGOMFSL-UHFFFAOYSA-N 425.348 4.015 5 20 IIBD CCOc1cc(C(=O)Nc2cc(CC3CC3)nn2-c2ccccc2)c([N+](=O)[O-])cc1OC 507961407 KTBOKTSFMMDFGO-UHFFFAOYSA-N 436.468 4.393 5 20 IIBD CN(C)Cc1cccc(NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)c1 509258315 ZEIAZLKXHOWLIJ-UHFFFAOYSA-N 446.507 4.206 5 20 IIBD COc1cccc([C@@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)N2CCCC2)c1 509399536 NBHXPFXOAUFILL-HSZRJFAPSA-N 440.544 4.361 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@H](C[C@H]3CCOC3)c3ccccc3)cc2)c(C)c1[N+](=O)[O-] 512192415 CGTQPQOCHSKWRY-NFBKMPQASA-N 448.523 4.354 5 20 IIBD CC1=NN(c2ccc(C(=O)NCCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)CC1 512446941 PEZOKVXWTHHAPR-UHFFFAOYSA-N 435.406 4.042 5 20 IIBD CN(C)CCCNC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 516377194 QLDZOJUAKIVZDX-UHFFFAOYSA-N 427.448 4.446 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(OC(C)C)cc2C(F)(F)F)c([N+](=O)[O-])c1 517153934 LPCBWGJHRHMUFC-UHFFFAOYSA-N 434.392 4.210 5 20 IIBD O=C(N[C@H](COc1ccccc1F)c1ccccc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 520027308 DMLKKRNAAKNNLF-JOCHJYFZSA-N 446.438 4.470 5 20 IIBD CCc1cc(=NCc2ccc(C(=O)N3CCCCC3)cc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 521345129 AUADSPJLSNFESH-UHFFFAOYSA-N 445.523 4.274 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 522704471 CKWVHXJVBFTQDI-GOSISDBHSA-N 431.876 4.339 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccccc2Cl)C(C)C)cc1OC 523709308 NWTBFPYDAJWBPT-FQEVSTJZSA-N 436.892 4.409 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1nc(C(F)(F)F)cs1 524873652 GLXACLRTKMHGHW-UHFFFAOYSA-N 442.341 4.207 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cc(C(F)(F)F)ccc1Br 533219410 IYKJVRJWWHGNLZ-UHFFFAOYSA-N 433.180 4.185 5 20 IIBD COc1cc(C(=O)N(C)CCCc2ccccc2)c([N+](=O)[O-])cc1OCc1cscn1 533880210 FOPGSEOOBWAELF-UHFFFAOYSA-N 441.509 4.344 5 20 IIBD CC(=O)N(c1ccccc1)c1nc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)cs1 534487845 GKAIGEFBVFBPPH-UHFFFAOYSA-N 437.525 4.058 5 20 IIBD C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 537625064 HXRIMOQNCJSBEF-UONOGXRCSA-N 426.922 4.294 5 20 IIBD Cc1ncc([N+](=O)[O-])n1Cc1nc(O)c2c(-c3ccc(Br)cc3)csc2n1 538530101 IKWYBRDVOPPQPZ-UHFFFAOYSA-N 446.286 4.288 5 20 IIBD CN(Cc1nccn1C)C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 539311514 GKCGYUKLWJXIHC-UHFFFAOYSA-N 447.854 4.255 5 20 IIBD O=C1[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCN1Cc1ccccc1 540595414 ISLAZCZNYKTZLV-HXUWFJFHSA-N 425.872 4.399 5 20 IIBD O=C(Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)Nc1ccc([N+](=O)[O-])cc1F 543645033 VJOAJOSXRZNTCS-UHFFFAOYSA-N 443.456 4.493 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@H](C)c2nnc(C)s2)c([N+](=O)[O-])c1 544703035 FWIVKJIPYLUQIJ-CYBMUJFWSA-N 447.542 4.143 5 20 IIBD COc1cc(-c2nc(Cc3cccc([N+](=O)[O-])c3C)no2)cc(OC)c1Br 545782088 LDAPDLZAXRKFBP-UHFFFAOYSA-N 434.246 4.324 5 20 IIBD CN(C)CCOc1ccccc1-c1noc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 547104668 RIMWTATXHYEJKT-UHFFFAOYSA-N 437.481 4.376 5 20 IIBD CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NCc1cc([N+](=O)[O-])cc2c1OCOC2 548498435 USDRWLQTYQHNHI-JOCHJYFZSA-N 425.529 4.024 5 20 IIBD CCC[C@@H](C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccccn1 555540693 SZRYNMZUPGNJLJ-MRXNPFEDSA-N 436.434 4.241 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Nc3ccccc3)nc2)cc1OC 556594908 AHHFAQACXOINKZ-UHFFFAOYSA-N 438.440 4.020 5 20 IIBD Cc1ccc(NC(=O)C(=O)N[C@@H]2c3cc(Br)ccc3CC2(C)C)cc1[N+](=O)[O-] 560200244 RSZUIYLOMPMEJM-QGZVFWFLSA-N 446.301 4.044 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1C(F)F 561374471 XZJGKISVCSBUJT-LJQANCHMSA-N 426.423 4.246 5 20 IIBD C[C@H](NC(=O)NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)c1cccc([N+](=O)[O-])c1 562913041 TWOZLCWJQKBZOC-LBPRGKRZSA-N 449.389 4.310 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc(OC)c(NC(=O)C3CCCCC3)c2)n1 571067175 BGOZGHOTBQTCGI-UHFFFAOYSA-N 428.445 4.047 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 572430881 UKUSXJUOQJKRCV-HXUWFJFHSA-N 438.402 4.277 5 20 IIBD COC1(c2nc(Cc3ccccc3)no2)CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 577287198 ZSCHPCYYEFHYSC-UHFFFAOYSA-N 442.903 4.360 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)cc1SC 579636976 ITBREOGMYWBTQP-KRWDZBQOSA-N 435.571 4.080 5 20 IIBD C[C@@H](CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCO1)c1nccs1 582893847 YBRVATMACOIQHQ-MAUKXSAKSA-N 442.545 4.119 5 20 IIBD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NC[C@@H]2CCN(c3ccc(Br)cc3)C2)n1 583123371 BLHMSBXZLPECHL-ZYSHUDEJSA-N 448.365 4.154 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2csc(-c3ccccc3)n2)cc1OC 588080458 XJQYBRQCOROZLD-UHFFFAOYSA-N 429.454 4.004 5 20 IIBD CCOCc1ccc(-c2noc([C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)cc1 589096309 RZXIEUVQLAWFDN-HXUWFJFHSA-N 436.468 4.467 5 20 IIBD CC(C)Oc1ccc(CNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cn1 603773055 OMAVTPOYZBBWHQ-UHFFFAOYSA-N 429.420 4.204 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCO[C@@H](c4ccc(F)cc4)C3)cc2[N+](=O)[O-])C1 603863916 VVGDXJFPDPNYGC-SEPYTNNBSA-N 441.503 4.430 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1 604118390 UOJMWKJMURGKOQ-UHFFFAOYSA-N 431.514 4.109 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(Cl)c3ncccc23)ccc1[N+](=O)[O-] 608803731 SDLWZEYAVSYLHU-IBGZPJMESA-N 438.871 4.348 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc(CCCc2ccccc2)cc1 608808803 DGLTVOVBWQECLH-UHFFFAOYSA-N 431.448 4.317 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCC[C@@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 608880583 IQNHKHSNXVAEMO-XLAORIBOSA-N 427.501 4.100 5 20 IIBD COC(=O)c1ccc2c(c1)CN(C(=O)c1ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c1)C2 609301438 AJNHSOGWKXBCKK-HZPDHXFCSA-N 437.496 4.020 5 20 IIBD O=C(N[C@@H]1CCN(c2ccc(F)cc2F)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 609304195 GLYOMUCWVZSWTG-CQSZACIVSA-N 430.436 4.005 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)NCC1CCN(Cc2ccccc2Cl)CC1 609312095 ZQIGTEADUSZWKP-UHFFFAOYSA-N 433.961 4.369 5 20 IIBD C[C@@H]1SCCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H]1C 609819469 MAOHDCNSQCFOGA-SJORKVTESA-N 436.537 4.342 5 20 IIBD CC(C)(C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1)c1ccc([N+](=O)[O-])cc1 610062651 OETZDTIJDGSNGX-GOSISDBHSA-N 433.302 4.235 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([C@@H]2CCCCCN2C(C)=O)CC1 619638124 KFWDBNRYAOUBAY-FQEVSTJZSA-N 432.521 4.029 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1Br 726517559 AAXUPXLAFWXZNP-SWLSCSKDSA-N 440.091 4.406 5 20 IIBD O=C(N[C@H]1C[C@H]1c1cccc(Br)c1)c1ccc(Br)c([N+](=O)[O-])c1 726518643 MBLXTGSYIFBISI-JSGCOSHPSA-N 440.091 4.406 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)OCC(=O)c2ccc3ccccc3c2)ccc1[N+](=O)[O-] 726675548 JMUIGJMIGDEJME-QFIPXVFZSA-N 446.459 4.087 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Oc2cccc(Oc3ccccn3)c2)ccc1[N+](=O)[O-] 726729326 BLCBRLYFZFAJHB-OAQYLSRUSA-N 447.447 4.301 5 20 IIBD Cc1ccc(OCc2nc(COC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)cs2)cc1 727568523 PEMODBIBMQDPBH-UHFFFAOYSA-N 442.449 4.067 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)OCc2ccccc2[N+](=O)[O-])cc1 730334781 UURSQHJJLZJTSH-LJQANCHMSA-N 428.510 4.151 5 20 IIBD COc1ccc(CN(C(=O)COc2ccccc2[N+](=O)[O-])c2ccc3nc(C)[nH]c3c2)cc1 731992078 CABKLCHTGLNBEU-UHFFFAOYSA-N 446.463 4.400 5 20 IIBD CC(C)(C)c1ccccc1NC(=O)COC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 735149691 ZLFFIUAYQJYFCT-UHFFFAOYSA-N 434.876 4.497 5 20 IIBD CN(CCCNC(=O)OC(C)(C)C)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 736043920 IFFMVWUGCUJLSG-UHFFFAOYSA-N 429.473 4.374 5 20 IIBD Cc1ccc(NCCCNC(=O)c2cccc(C)c2NC(=O)c2ccncc2)c([N+](=O)[O-])c1 739815742 WGUJMKLOXXXCPW-UHFFFAOYSA-N 447.495 4.091 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2cnc3onc(C)c3c2)c2ccccc2)c([N+](=O)[O-])c1 740951525 JBDCRIZPIIZYCN-FQEVSTJZSA-N 446.419 4.285 5 20 IIBD C[C@@H](OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)Nc1ccc(Cl)c(Cl)c1 743122707 ULHSYMIAQIUBFA-LLVKDONJSA-N 449.250 4.271 5 20 IIBD O=C(Nc1c(F)cc(F)cc1F)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 743222901 WAOXBCPFEARFBO-UHFFFAOYSA-N 448.323 4.385 5 20 IIBD C[C@H](Oc1ccc(F)c(F)c1)C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 743606990 CLHMNFRVUZRSAD-ZDUSSCGKSA-N 442.374 4.498 5 20 IIBD C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)COC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 747126673 XQTCGHIFQQLKMC-JTQLQIEISA-N 446.328 4.268 5 20 IIBD O=C(Nc1ccc(-n2cncn2)c(Cl)c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 749139403 WEJSHOMZRJJHQP-UHFFFAOYSA-N 441.753 4.022 5 20 IIBD Cc1oc(-c2ccco2)nc1CC(=O)OCCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 750397413 AGDWGJHFBYSNSI-UHFFFAOYSA-N 440.330 4.335 5 20 IIBD C[C@H](NC(=O)COC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccc(Br)cc1 750535620 OWQMPRCCZBIHEM-JTQLQIEISA-N 441.665 4.045 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)Oc1cccc(C(=O)N2CCc3ccccc3C2)c1 751182519 IYVWHCNUZVANND-UHFFFAOYSA-N 432.432 4.021 5 20 IIBD Cc1nc2ncnn2c(C)c1CCC(=O)OCc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1 752219658 XQOSGCFMHLTRIV-UHFFFAOYSA-N 447.451 4.118 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1[N+](=O)[O-] 752415856 BHMCMAOMVCOQPG-LLVKDONJSA-N 427.335 4.244 5 20 IIBD CC[C@]1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)OCCc2ccccc21 752982054 HRJOZLHYCPBJDC-LJQANCHMSA-N 437.265 4.104 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3ccc([N+](=O)[O-])c(C)n3)cc2[N+](=O)[O-])n1 753345847 FYSFAZVMRLODIK-UHFFFAOYSA-N 431.455 4.375 5 20 IIBD COc1ccc(S(=O)(=O)Oc2cc(C)ccc2NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] 755281501 RUFBILVIISHBRW-UHFFFAOYSA-N 438.458 4.027 5 20 IIBD O=C(O)[C@H](Cc1ccccc1[N+](=O)[O-])NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 756363504 MNJHCSOXMGCINR-INIZCTEOSA-N 427.438 4.017 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CN(Cc3ccccc3)C[C@@H](O)c3ccsc3)n2)c1 756904148 ABFWMZRVRYKGTC-HXUWFJFHSA-N 436.493 4.442 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 758496057 NMLGJZXGZQPVOH-STQMWFEESA-N 426.901 4.405 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cnc([C@@H]3CCCO3)s2)cc1)c1cccc([N+](=O)[O-])c1 760331254 RLIVDSHRMNWPOT-KRWDZBQOSA-N 439.449 4.374 5 20 IIBD O=C(OC[C@@H]1CC2(CC2)C(=O)O1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 763057391 WQEONYPHQGQFCJ-HNNXBMFYSA-N 430.844 4.113 5 20 IIBD C[C@@H]1[C@@H](C(F)(F)F)OC(=O)N1c1ncccc1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 764308010 WRDPIXDYSIXXGW-OQPBUACISA-N 444.753 4.172 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](O)c1c(Cl)cccc1Cl 764341061 OMEQREVWRCPGTD-OAHLLOKOSA-N 445.324 4.104 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1Cc2ccc(Br)cc2C1 765212492 GFODMFATHRZKEC-UHFFFAOYSA-N 445.191 4.454 5 20 IIBD CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 770513293 WZCVZUHOFMYNAQ-UHFFFAOYSA-N 440.681 4.401 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@H](c2nc(-c3ccc(Br)cc3F)no2)C1 771198953 ZGCWCKZYDVMRKU-HNNXBMFYSA-N 433.193 4.412 5 20 IIBD CC[C@@H](OC(=O)c1sc(Br)cc1[N+](=O)[O-])C(=O)c1ccc(OC)cc1 773598992 PZQHIYIKIDQKER-GFCCVEGCSA-N 428.260 4.246 5 20 IIBD CSc1ccccc1NC(=O)[C@H](C)OC(=O)c1sc(Br)cc1[N+](=O)[O-] 773605001 XGHONEUACDPMNK-QMMMGPOBSA-N 445.316 4.325 5 20 IIBD CC(C)(C)c1ncc(COC(=O)c2cc([N+](=O)[O-])ccc2I)s1 774533897 VVCHHOADQJNLCI-UHFFFAOYSA-N 446.266 4.310 5 20 IIBD C[C@@H]1C[C@H](C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCO1 776413449 RMTTWOKMENZIGR-MUKKUYKPSA-N 432.860 4.286 5 20 IIBD CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1 777830329 LLJPALSRPFDHCD-UHFFFAOYSA-N 437.456 4.058 5 20 IIBD CC(=O)OCCc1cccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 781003667 ANQOCZJLYALUAA-UHFFFAOYSA-N 436.414 4.317 5 20 IIBD COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34 781448239 JVYYFFPFBUFEFZ-BKMJKUGQSA-N 443.499 4.072 5 20 IIBD O=C(Nc1ccc(SCc2cccnc2)cc1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781593739 YDLSLLAXXHVILW-OAQYLSRUSA-N 434.477 4.414 5 20 IIBD CN(CCCc1cc(-c2ccccc2)no1)C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781624829 OOTMJBJPAPCMEZ-UHFFFAOYSA-N 438.440 4.182 5 20 IIBD CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccc([N+](=O)[O-])s2)NC(=O)N1C 782244652 JTMGANBOYDUKOU-HNNXBMFYSA-N 440.403 4.284 5 20 IIBD COc1ccc(NC(=O)N2CCC([C@H]3CCCN3C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] 782621994 SSXTUAIGICPALS-QGZVFWFLSA-N 448.520 4.247 5 20 IIBD O=C(NCc1ccc(N2CCOC2=O)cc1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 783549569 QBVMCEITDRXPDM-UHFFFAOYSA-N 432.436 4.225 5 20 IIBD COC(=O)c1cc(C(=O)OCc2ccc(Br)c3cccnc23)cc([N+](=O)[O-])c1 785018065 BMOFHFVDOHBFIS-UHFFFAOYSA-N 445.225 4.049 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCSc3ccc(F)cc32)cc1Br 786903585 XYDBKGPNZAZZID-UHFFFAOYSA-N 447.307 4.188 5 20 IIBD Cc1c(CC(=O)NC[C@@H](C(=O)OCc2ccccc2)c2ccccc2)cccc1[N+](=O)[O-] 787367982 MIXXEDWKPMSVBB-JOCHJYFZSA-N 432.476 4.089 5 20 IIBD CC[C@@H]1c2ccsc2CCN1C(=O)COc1cc(F)c(Br)cc1[N+](=O)[O-] 790295447 HBLHNNGMUJZTAE-CYBMUJFWSA-N 443.294 4.473 5 20 IIBD O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 791231423 ZKLCTWNELGVVJR-UHFFFAOYSA-N 444.793 4.271 5 20 IIBD COc1ccc(CSCC(=O)OCc2ccc(-n3ccnc3)cc2C)cc1[N+](=O)[O-] 791323061 BTKPOLYHSYTXLC-UHFFFAOYSA-N 427.482 4.074 5 20 IIBD Cc1cc(C)c(NC(=O)CN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c(C)c1 792895663 AANBJGPPORPBAU-UHFFFAOYSA-N 432.318 4.279 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H]2CN(Cc3ccc(Br)c([N+](=O)[O-])c3)CC[C@@H]21 795132055 OSKQVUSRZKKPFW-HOCLYGCPSA-N 440.338 4.189 5 20 IIBD Cc1c(CC(=O)OC[C@@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] 797111545 DHWXOJUMRXOUJZ-LJQANCHMSA-N 446.422 4.178 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3nc(Br)ccc3F)no2)c(Br)c1 798188485 PDTNCMGSJBKFOR-UHFFFAOYSA-N 444.014 4.371 5 20 IIBD C[C@]1(c2cc3ccccc3o2)NC(=O)N(Cc2ccc(Br)c([N+](=O)[O-])c2)C1=O 800832499 VWPUDFMMJHSSPE-LJQANCHMSA-N 444.241 4.071 5 20 IIBD O=C(COC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(C(F)(F)F)cn1 805430754 SMDUEMZTSRQOAO-UHFFFAOYSA-N 437.355 4.172 5 20 IIBD O=C(Nc1cccc(OS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c1)c1ccco1 809817650 JDXOTRLDCGLZMJ-UHFFFAOYSA-N 440.792 4.000 5 20 IIBD COc1ccccc1N(Cc1cccnc1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 809991094 VORCBWPFQCMROW-UHFFFAOYSA-N 447.900 4.356 5 20 IIBD CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 811375476 ZXAAASQTBXBTKM-JTQLQIEISA-N 425.224 4.288 5 20 IIBD CC(C)(CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccc2c(c1)OCCO2 812951044 UUSCSSWYSKVRBS-UHFFFAOYSA-N 425.268 4.380 5 20 IIBD O=C(Nc1cccc(NS(=O)(=O)Cc2ccccc2)c1)c1cc(Cl)ccc1[N+](=O)[O-] 817029997 VAVXUSGJXBWMNG-UHFFFAOYSA-N 445.884 4.442 5 20 IIBD Cc1cnc(COC(=O)[C@@H](C)CC(=O)c2cccc(Br)c2)c(C)c1[N+](=O)[O-] 821628000 WQBPOXACEIEDRJ-NSHDSACASA-N 435.274 4.321 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Oc1ccc(C(C)(C)C)cc1 912652136 LVEJGATUYAIRLZ-IBGZPJMESA-N 430.526 4.349 5 20 IIBD CC(C)c1c(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cnn1-c1ccccc1 913379495 KRMOXOPCFFPRAT-UHFFFAOYSA-N 442.859 4.353 5 20 IIBD Cc1cnn(-c2ccc(C(=O)N(Cc3nnc(-c4cccc([N+](=O)[O-])c4)o3)C(C)C)cc2)c1 916036807 ZCGQZWKWFCYNPT-UHFFFAOYSA-N 446.467 4.190 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CCCc2cccc(Cl)c21 920757147 ZEOMACBGDVDJOD-UHFFFAOYSA-N 431.695 4.152 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCC(OCCc2ccccc2)CC1 921287134 JBSGEFYNGDYXBI-UHFFFAOYSA-N 437.540 4.449 5 20 IIBD Cc1cc(NC(=O)[C@@H](C)SCC(=O)OCc2nc3ccccc3c3ccccc23)no1 921296900 VEDLGUFMINTNFW-OAHLLOKOSA-N 435.505 4.488 5 20 IIBD CC(C)CCSc1ccc(-c2nnc(-c3ccc(-n4cnnn4)cc3)o2)cc1[N+](=O)[O-] 1118124668 BRPFKVGIYRFPLS-UHFFFAOYSA-N 437.485 4.426 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCC(O)(c3c(F)cccc3F)CC2)c(Br)c1 1320582126 AEISZQKSYCANAZ-UHFFFAOYSA-N 427.245 4.119 5 20 IIBD Cc1c(-c2nnc([C@H](C)Oc3cccc(Cl)c3)o2)nnn1-c1cccc([N+](=O)[O-])c1 1326375811 DOMZVDKJZPZIDO-LBPRGKRZSA-N 426.820 4.327 5 20 IIBD O=C(Cc1ccccc1)Nc1ccc(C2(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)CCC2)cc1 1787743393 IWNPVFJMGYXGAD-UHFFFAOYSA-N 445.475 4.291 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)Nc1ccc(C2(NC(=O)c3cccnc3)CCC2)cc1 1790771064 NKSZMNAUKTWGHG-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(O)c([N+](=O)[O-])c1)c1cccc2ccccc12 1800342994 BTBHOABNDRGIIB-REPLKXPHSA-N 445.475 4.019 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC2(CCCN2C(=O)c2cccc3ccccc23)C1 1843624817 XCQRCHQFOIJMTR-BUHFOSPRSA-N 441.487 4.278 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC2(CCCN2C(=O)/C=C/C2CCCC2)C1 1845193047 WQBGVSSHLJLBSK-RMKNXTFCSA-N 439.537 4.373 5 20 IIBD CC(C)[C@H]1CC[C@H](C(=O)N2CCCC23CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C3)CC1 1846078370 AQMFHCVUGCTTDI-MEMLXQNLSA-N 441.572 4.193 5 20 IIBD COc1ccc2c(C)cc3nnc(S[C@@H](C)C(=O)Nc4cccc([N+](=O)[O-])c4)n3c2c1 9220287 SFKPLDVXOVMNQG-ZDUSSCGKSA-N 437.481 4.227 5 20 IIBD Cc1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)cc1Cl 10261623 FGZMKFUIKVUNDF-UHFFFAOYSA-N 425.876 4.459 5 20 IIBD O=C1C[C@H](C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c2ccc(F)cc2N1 12832714 PKIOYKKSYPSTQL-IBGZPJMESA-N 449.394 4.018 5 20 IIBD CN(Cc1ccc(C(C)(C)C)cc1)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 18079991 BHORNUUIUWJRTO-UHFFFAOYSA-N 425.485 4.239 5 20 IIBD CC(C)C[C@@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccccc1 21835501 FCGWKHTZCQXAOL-QGZVFWFLSA-N 425.514 4.392 5 20 IIBD COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C 22060841 YDTHIOZBLOOKFV-UHFFFAOYSA-N 448.888 4.215 5 20 IIBD CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc1Cl 22641514 PBKWXHBOJGHXTA-UHFFFAOYSA-N 446.312 4.184 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCC([C@H](O)c4ccccc4)CC3)cc2[N+](=O)[O-])CC1 23384570 KOWWXJYOGDOEFK-XMMPIXPASA-N 437.540 4.417 5 20 IIBD CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 23820525 RQCXHZCQQARQSL-UHFFFAOYSA-N 436.255 4.022 5 20 IIBD Cc1cccc(C(=O)NCc2ccccc2CN2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] 31957033 NXOVHSQRXLJVNL-UHFFFAOYSA-N 444.535 4.155 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCCc2cn3ccccc3n2)cc1 32933837 VRIXRRVOMHPJNN-UHFFFAOYSA-N 432.436 4.016 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 45824109 PYFXAUWXSXMNRN-RDTXWAMCSA-N 444.513 4.015 5 20 IIBD C[C@H](CCc1ccc(Br)cc1)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 65125149 ZMNDRGUAMTUXJI-CQSZACIVSA-N 443.301 4.294 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 109265599 FTOCAJFADFANRC-UHFFFAOYSA-N 436.409 4.065 5 20 IIBD Cc1ccc(-n2c(SCC(=O)c3cccc([N+](=O)[O-])c3)nnc2N2CCCCC2)cc1 216814715 VRRMXKNWLWQQTF-UHFFFAOYSA-N 437.525 4.449 5 20 IIBD C[C@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 301067318 DHBXVJBRASQMQU-AWEZNQCLSA-N 433.468 4.081 5 20 IIBD O=[N+]([O-])c1cnc(N[C@@H]2CCN(c3ccccc3OC(F)F)C2)c(Br)c1 301536734 MXCSXYGNCGDUDW-SNVBAGLBSA-N 429.221 4.045 5 20 IIBD O=[N+]([O-])c1cc(Br)cnc1N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 301722550 RQCYEBKMQKAQFR-SJLPKXTDSA-N 431.334 4.243 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CSc1nnc(-c2ccncc2)n1CC(F)(F)F 303055032 KEUSMMKIPFHDBT-UHFFFAOYSA-N 425.392 4.112 5 20 IIBD Cc1ccc(NCCCNC(=O)c2ccc(NC(=O)CC(C)C)c(C)c2)c([N+](=O)[O-])c1 304044053 OFLWKRAQYSTMGH-UHFFFAOYSA-N 426.517 4.428 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 426812791 ZYXIZYKJABQCIC-KRWDZBQOSA-N 447.557 4.115 5 20 IIBD CCOC(=O)[C@@H](NCc1ccc(C)c([N+](=O)[O-])c1)c1ccc(OC)c(Br)c1 428380941 ZYDXSGKWPYOVMC-SFHVURJKSA-N 437.290 4.068 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN3CCC(Cn4cncn4)CC3)o2)c(Br)c1 428485408 VPJCJZRMWCNZAC-UHFFFAOYSA-N 446.305 4.121 5 20 IIBD CN(Cc1ccccc1)CC1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 431020268 YFEXYHJDNISFAV-UHFFFAOYSA-N 446.345 4.342 5 20 IIBD CCOc1cc(C(=O)Nc2cc(Cl)c(Cl)cc2C(=O)OC)c([N+](=O)[O-])cc1OC 431150597 GPOPJPBKKKZSMR-UHFFFAOYSA-N 443.239 4.348 5 20 IIBD C[C@H]1CCCN(Cc2csc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)n2)C1 432918628 OFRCFKPHFJJZKH-NSHDSACASA-N 439.335 4.298 5 20 IIBD Cc1ccn(C2CCN(C(=O)c3ccc(N[C@H](C)c4ccccn4)c([N+](=O)[O-])c3)CC2)n1 434032650 RVLFIAHEIPFLBL-QGZVFWFLSA-N 434.500 4.145 5 20 IIBD O=c1[nH]c(/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)nc2cnccc12 434935194 AEXZZWAREMHHSR-ZZXKWVIFSA-N 439.225 4.419 5 20 IIBD CCN(Cc1ccc2c(c1)OCO2)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 435949503 MNOPIIWNOXSGAU-UHFFFAOYSA-N 436.414 4.351 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 437290904 VEMFFEKERRGGKL-ZWKOTPCHSA-N 444.329 4.246 5 20 IIBD COc1cccc(-c2noc([C@H](C)NC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)n2)c1 437993083 LUQOOFIAQKXXHS-AWEZNQCLSA-N 437.456 4.089 5 20 IIBD Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCS(=O)(=O)c1ccc(C(C)(C)C)cc1 439156198 KWGLIKVLOMXCAE-UHFFFAOYSA-N 438.933 4.058 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCOc2c(Br)cccc21 441518267 ANKHDGGUCMYNHF-UHFFFAOYSA-N 442.063 4.159 5 20 IIBD COc1c(F)cc(S(=O)(=O)N[C@@H](CC(F)(F)F)c2ccccc2C)cc1[N+](=O)[O-] 443978653 INVARIHTVQMNQC-AWEZNQCLSA-N 436.383 4.023 5 20 IIBD CCOc1ccc([C@H](NC(=O)c2n[nH]c(CC)c2[N+](=O)[O-])c2cccc(Cl)c2)cc1 444339325 SKCNNYBTQDNWCI-SFHVURJKSA-N 428.876 4.452 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)NC[C@H](Cc1ccccc1)c1ccccc1 445107085 FMHPZYJQRDOEPK-IBGZPJMESA-N 429.480 4.297 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3c[nH]nc3-c3nccs3)cc2[N+](=O)[O-])C1 446605738 RVUHNRFPOJYNAW-STQMWFEESA-N 426.502 4.176 5 20 IIBD C[C@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[C@@H](OC1CCOCC1)c1ccccc1 446881037 MBIIEFPWEODJHL-NPMXOYFQSA-N 425.485 4.217 5 20 IIBD CSC1(CNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)CCOCC1 460634836 IDDSPANMMYPYBY-UHFFFAOYSA-N 439.584 4.153 5 20 IIBD CCOc1c(Cl)cc(NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1Cl 466266175 FIEJVVGKAWLAEY-UHFFFAOYSA-N 427.240 4.253 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NC[C@@H](CCO)CC(C)C)c([N+](=O)[O-])c2)c(C)c1 467020964 CTFHRLKUEULAEE-SFHVURJKSA-N 449.573 4.469 5 20 IIBD Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 468171219 XNPWBUXMJXBECF-INIZCTEOSA-N 425.485 4.234 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)N(Cc1c(C)noc1C)Cc1c(C)noc1C 470978181 REHJYGQVOGDRFK-UHFFFAOYSA-N 428.445 4.046 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@@]2(C1)OCc1ccccc12 471590193 VDXHAOPCGXLNCL-FQEVSTJZSA-N 435.402 4.074 5 20 IIBD CCc1nc(CN2CCC(CNC(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)cs1 473541545 PAUZPOQJBYAXIJ-UHFFFAOYSA-N 430.574 4.379 5 20 IIBD COc1c(C(=O)Nc2ccc(C(=O)Nc3cccnc3)c(Cl)c2)cccc1[N+](=O)[O-] 475526520 FUQGPHNCARXZHR-UHFFFAOYSA-N 426.816 4.156 5 20 IIBD CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cccc([N+](=O)[O-])c1OC 476095180 FEZLVAJLGPWTIZ-UHFFFAOYSA-N 430.848 4.359 5 20 IIBD CC(C)c1ccc(-n2c(SCc3c([N+](=O)[O-])ncn3C)nc3ccccc3c2=O)cc1 476461477 PQHJUUSPVHKYAU-UHFFFAOYSA-N 435.509 4.443 5 20 IIBD COc1c(C(=O)N(Cc2cccc(Br)c2)C2CCOCC2)cccc1[N+](=O)[O-] 476954123 QVENNFIFAJYZTP-UHFFFAOYSA-N 449.301 4.187 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 477224196 AJKMLONFLNQTAR-AWEZNQCLSA-N 432.402 4.033 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2nnc(-c3cc4ccccc4o3)s2)c1[N+](=O)[O-] 479115944 NTQQFQCQTUBINZ-UHFFFAOYSA-N 430.467 4.277 5 20 IIBD Cc1c(CNC(=O)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)cccc1[N+](=O)[O-] 480062162 ZHURTSQYKYFGHB-UHFFFAOYSA-N 425.464 4.207 5 20 IIBD COc1ccc(NC(=O)c2cc(I)cc(C)c2C)c([N+](=O)[O-])c1 480316809 VLZDLXCDGWYJKR-UHFFFAOYSA-N 426.210 4.077 5 20 IIBD Cc1c(CNC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccn2)cccc1[N+](=O)[O-] 481479938 KPEQHVOXCYHHFK-UHFFFAOYSA-N 442.479 4.148 5 20 IIBD Cc1cc(C(=O)N2CCC(C)CC2)ccc1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C 481977611 FKIQBKUAVKVQDI-UHFFFAOYSA-N 445.541 4.193 5 20 IIBD CCN(CC)C(=O)Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 482538653 UULJKWPAJOSZKK-UHFFFAOYSA-N 441.531 4.204 5 20 IIBD CCc1c(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cnn1-c1cccc(C(F)(F)F)c1 482702848 FHOJBOWEHIQROC-UHFFFAOYSA-N 448.357 4.343 5 20 IIBD COc1ccc(NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])cc1Br 486072715 BKTDENYIEDNLPM-UHFFFAOYSA-N 427.276 4.349 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 486843158 RBEAIBPDSLEYMC-NVTAWBTOSA-N 447.495 4.026 5 20 IIBD O=c1c(Cl)c(NC[C@@H]2SCCc3ccccc32)cnn1-c1ccc([N+](=O)[O-])cc1 487651681 ZYIDBUDDXRNOAN-SFHVURJKSA-N 428.901 4.237 5 20 IIBD COc1cccc(-c2noc([C@@H](C)NC(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)n2)c1 489470723 DJEMECMPULBSNS-ZIAGYGMSSA-N 425.445 4.083 5 20 IIBD CC[C@@H]1Oc2cc([C@H](C)NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)ccc2NC1=O 491313036 RTQNYEGHIDNGLA-XOBRGWDASA-N 438.484 4.140 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Nc2nnc(-c3cc4ccccc4o3)s2)cc1[N+](=O)[O-] 494473759 JLBOUFVXTHPBFI-UHFFFAOYSA-N 430.467 4.277 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1 497814105 CKSCCFMRZRWOLJ-AWEZNQCLSA-N 437.427 4.486 5 20 IIBD Cc1cc(Br)c(S(=O)(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)s1 497986066 XQLCOMMUBZLUTL-ZDUSSCGKSA-N 449.373 4.164 5 20 IIBD CCc1cccc(NC(=O)CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 498592012 NBAXEDFPLVIOTI-UHFFFAOYSA-N 432.480 4.138 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1ccc(OCC2CCCCC2)cc1 498961249 VAZYFGOBXNBPIW-UHFFFAOYSA-N 425.485 4.151 5 20 IIBD NC(=O)N[C@H](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cccc(Oc2ccccc2)c1 505052163 ZFPOCBNTQUJWRX-HXUWFJFHSA-N 445.435 4.389 5 20 IIBD O=C([C@@H]1Cc2ccccc2CN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCCC1 506650558 ZQJZSUQVZRVXPV-QFIPXVFZSA-N 448.548 4.268 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCOC[C@@H]1c1nc2ccccc2s1 507206519 OQLAKSVTPCFJMU-LJQANCHMSA-N 440.525 4.310 5 20 IIBD Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2c2nc(-c3ccc([N+](=O)[O-])cc3)no2)c(C)c1 508020189 DIXXBMARSXZOHA-GOSISDBHSA-N 442.497 4.096 5 20 IIBD CCOC(=O)c1sc(-c2ccc(OC)c(OC)c2)cc1NC(=O)c1ccc([N+](=O)[O-])o1 508607670 BNOCEJNMRBIHHS-UHFFFAOYSA-N 446.437 4.363 5 20 IIBD Cc1ccccc1CN(Cc1ccccn1)S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C 510240852 IEOUULCTIAMZLN-UHFFFAOYSA-N 425.510 4.306 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(Cl)c(F)c1N1CCOCC1 512894130 DVGGPEFDTZDYJK-UHFFFAOYSA-N 428.247 4.059 5 20 IIBD Cc1cc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])n(-c2ccc(F)cc2)n1 514562408 UVMSQPULQDPMSW-UHFFFAOYSA-N 438.337 4.421 5 20 IIBD O=C(NCc1nc2cc(Cl)ccc2s1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 517091599 HSJPBFCDCWOVRL-UHFFFAOYSA-N 430.917 4.391 5 20 IIBD CCC(=O)Nc1cccc(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 517650676 FBWJFTDOGPCAMJ-UHFFFAOYSA-N 433.464 4.452 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1c(F)cc(F)cc1-c1ccccc1 517906973 RAXIASDLJSNHOP-UHFFFAOYSA-N 425.347 4.087 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N[C@H](c1ccc(F)cc1)c1cccs1 518131119 GQNGFTAIDQJOKO-LJQANCHMSA-N 447.875 4.084 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 519671460 VSZJQVBUPHUSNT-QGZVFWFLSA-N 441.362 4.107 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 520966106 NRTMMOBMNNFOOL-VIFPVBQESA-N 439.280 4.248 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 524038487 JZHZLVVXWDWYNG-MRXNPFEDSA-N 433.472 4.009 5 20 IIBD CCC(CC)N(C(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1)C1CC1 524255445 ICVDUDLZNFCYIG-UHFFFAOYSA-N 445.541 4.497 5 20 IIBD O=C(Nc1cc(Cl)cc(Br)c1O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 531134108 ROFKFDQWDVYERS-UHFFFAOYSA-N 437.637 4.154 5 20 IIBD O=C(N[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1)c1cc2ccccc2o1 532288338 HZEQMVRIANCGLT-CQSZACIVSA-N 442.859 4.421 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@H](COc2ccccc2Cl)C1 532826989 FLJSWTCYNUWCHI-INIZCTEOSA-N 445.903 4.337 5 20 IIBD COc1cc(CNc2ccc3c(c2)C(=O)N(C)CC3)c([N+](=O)[O-])cc1OCc1ccccc1 532896567 PPCNIFJVNQTOLZ-UHFFFAOYSA-N 447.491 4.423 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCOc1cccc(Cl)c1Cl 535002492 ZOEYQBBSPFLHPL-UHFFFAOYSA-N 445.324 4.449 5 20 IIBD Cc1c(Cl)cccc1NC(=O)CCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 537295616 MYPVDELQYOKBOA-UHFFFAOYSA-N 427.892 4.076 5 20 IIBD O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 538243122 OQNMTEZPYRHBDZ-RXVVDRJESA-N 429.904 4.111 5 20 IIBD CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cc([N+](=O)[O-])ccc1SC(C)C 539296472 BBSAEQXLBPSLGF-UHFFFAOYSA-N 433.505 4.013 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 540805426 QGWLZTDEYWCZKX-KXBFYZLASA-N 431.558 4.103 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc2c(=O)n3c(nc2c1)CCCCC3 541068588 LXUHSORHBXXSGN-UHFFFAOYSA-N 446.385 4.302 5 20 IIBD Cc1ccccc1CCc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)n[nH]1 542457600 VTZBJYGZNKTRFS-UHFFFAOYSA-N 429.274 4.426 5 20 IIBD CC(C)(COc1ncccc1C(F)(F)F)NC(=O)CSc1ccccc1[N+](=O)[O-] 543156195 CUTZNRWKYBSCEO-UHFFFAOYSA-N 429.420 4.075 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1-c1nnnn1C1CC1 544213458 DLQMCVUXBHOIAP-UHFFFAOYSA-N 432.362 4.163 5 20 IIBD O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 544455645 UWUKVVZLLQSZNS-KDOFPFPSSA-N 442.365 4.325 5 20 IIBD COC(=O)CCSCc1cccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c1 547239611 LKPNUGBIIQVTAY-UHFFFAOYSA-N 434.489 4.447 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)c1 549213124 HXFLVIYYTCEUKT-UHFFFAOYSA-N 438.509 4.261 5 20 IIBD COc1ccc(C(=O)Nc2nc(-c3ccc(Br)cn3)cs2)cc1[N+](=O)[O-] 550100019 GOPZAXQDAUSCMW-UHFFFAOYSA-N 435.259 4.137 5 20 IIBD CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)c4ccc(Sc5nc(C)cs5)c([N+](=O)[O-])c4)[C@H]1[C@H]3C2 553323439 LFQZYOFCRCVTIF-BKZBBRBJSA-N 431.539 4.006 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCc2cnn3ccccc23)cc1[N+](=O)[O-] 553375391 QFWQAINAHKVAMT-UHFFFAOYSA-N 446.488 4.125 5 20 IIBD O=C1[C@H]2CCCCN2C(=O)N1Cc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 554393470 SFMKPLNJJYTUJA-MRXNPFEDSA-N 433.823 4.496 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2cccc(-c3ncco3)c2C)ccc1[N+](=O)[O-] 557358085 CCOYVHKUQHFKNJ-FQEVSTJZSA-N 434.452 4.110 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 557566508 SDUQGAQQFNLYEJ-JQYIIUTOSA-N 438.527 4.186 5 20 IIBD CC(C)(NC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1)c1ccccc1[N+](=O)[O-] 557969405 NNNBTJAPEOQEEV-UHFFFAOYSA-N 438.505 4.234 5 20 IIBD O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 564049220 NTGMWHFTJINBMP-UHFFFAOYSA-N 443.503 4.101 5 20 IIBD CCOc1cc(NC(=O)N2Cc3ccc(OC)cc3C3(CC3)C2)c([N+](=O)[O-])cc1OCC 564400811 TXJFPPIVDHBXKM-UHFFFAOYSA-N 441.484 4.480 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCc2nc(-c3ccccc3Cl)sc2C1 568792544 QZQJDOXLBLOTRM-UHFFFAOYSA-N 449.941 4.427 5 20 IIBD CNC(=O)CC[C@H]1CCCCN1C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 574541726 UJVBYKPFMWMBNQ-OAHLLOKOSA-N 448.570 4.032 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)c1 574654301 SWMGGLNLJWENBC-LJQANCHMSA-N 435.883 4.353 5 20 IIBD C[C@H](NC(=O)c1cc2ccccc2c2cccnc12)c1cccc(S(=O)(=O)N(C)C)c1 589568838 UXEAKJHTBBXIMZ-INIZCTEOSA-N 433.533 4.129 5 20 IIBD COc1ccccc1-c1cc(NC(=O)COc2ccccc2[N+](=O)[O-])n(-c2ccccc2)n1 603760140 GRURKTXVERPXDQ-UHFFFAOYSA-N 444.447 4.474 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)cc1[N+](=O)[O-] 603976998 QPLOAGJMRCTGKQ-UHFFFAOYSA-N 435.477 4.362 5 20 IIBD C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 603993133 OMPFNQWGHDFDAN-KRWDZBQOSA-N 436.512 4.462 5 20 IIBD COc1ccc(CNC(=O)NCc2ccc(CN3C[C@@H](C)C[C@@H](C)C3)cc2)cc1[N+](=O)[O-] 604078749 FRVKWORLIPVJKC-HDICACEKSA-N 440.544 4.081 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(NC(=O)Nc2cccc(F)c2)cc1 604532660 MCSHFBFDAHROTM-UHFFFAOYSA-N 444.444 4.487 5 20 IIBD CCc1oc2ccccc2c1CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 609497906 UHQQALYYHREUFK-MRXNPFEDSA-N 441.509 4.228 5 20 IIBD O=C(Nc1cc(C(F)(F)F)ccc1F)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 609504050 PWWZRMFMNXTKAO-LBPRGKRZSA-N 431.367 4.058 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NC[C@@H](O)CC(C)(C)C)c([N+](=O)[O-])c2)c(C)c1 609765588 DCMUJGRQVUDODK-INIZCTEOSA-N 435.546 4.221 5 20 IIBD Cn1ccnc1Sc1ncc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1Cl 610046815 IMBYKZQMPROQEK-UHFFFAOYSA-N 445.932 4.281 5 20 IIBD Cc1ccc(C(C)C)c(Oc2ccc(CNCC3(O)CCN(C)CC3)cc2[N+](=O)[O-])c1 610137534 DEDQEEOPTRERMU-UHFFFAOYSA-N 427.545 4.365 5 20 IIBD CCC(CC)[C@@H](NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1cccs1 610144942 VSOBTVPCKGPUQB-HXUWFJFHSA-N 444.557 4.301 5 20 IIBD Cc1nc(-c2ccc(Br)cc2)c(NC(=O)COc2cccc([N+](=O)[O-])c2)n1C 610183110 OOFIWUUGUDAOEI-UHFFFAOYSA-N 445.273 4.084 5 20 IIBD O=C(NCCc1ccc2c(c1)OCCO2)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611198244 JUGPEGKEOLAMRN-UHFFFAOYSA-N 428.510 4.373 5 20 IIBD CN1CCC[C@H](N2CCN(Cc3ccc(Oc4ccccc4Cl)c([N+](=O)[O-])c3)CC2)C1 611270723 MUAJEXBVJGBYBJ-IBGZPJMESA-N 444.963 4.252 5 20 IIBD COC[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 611396961 SZHOMXUVCZRKSH-HNNXBMFYSA-N 431.798 4.183 5 20 IIBD COc1ccc(Cn2nccc2NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1 612018640 RCDUUYWZQCKJKC-UHFFFAOYSA-N 432.889 4.232 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CCS(=O)(=O)c2ccccc2C1 614248716 LJKIUUFXXJEARE-UHFFFAOYSA-N 446.550 4.059 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccnc(OC2CCCC2)c1 642274490 VMYVPCMTFTXORP-UHFFFAOYSA-N 427.504 4.188 5 20 IIBD Cc1ccc(CN2CCSCC2)cc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 726503664 AYGRUSAEWMXKQW-UHFFFAOYSA-N 444.513 4.229 5 20 IIBD O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 726538865 XCDCVOXDAKMCOI-ZDUSSCGKSA-N 430.823 4.457 5 20 IIBD C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 727220936 YHUBMYZGLYNDQX-SNVBAGLBSA-N 438.223 4.462 5 20 IIBD C[C@H](NC(=O)COC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(Br)cc1 730645774 QUOAPWPKYSJWHD-JTQLQIEISA-N 441.665 4.045 5 20 IIBD CC(C)(C)OC(=O)N1CCc2c(cccc2NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 734107584 PJIAMEAHZWOATR-UHFFFAOYSA-N 441.484 4.296 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 734110664 VNZMYWLAVQIONH-UHFFFAOYSA-N 440.500 4.206 5 20 IIBD O=C(Nc1cccc(OS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1)c1cccs1 734155930 FOKBHXXNBRBNLD-UHFFFAOYSA-N 438.870 4.330 5 20 IIBD Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C2=O)cc1 735990225 AMQCPDQEEYVSTF-CAOOACKPSA-N 445.884 4.023 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)OC[C@H]2CC(=O)N(C)[C@H]2c2cccc(Cl)c2)c1 737377069 BCCROUVBSLNPKW-YJYMSZOUSA-N 434.901 4.347 5 20 IIBD CC(C)(C(=O)OCC(=O)N[C@@H](c1ccccc1)c1cccs1)c1ccc([N+](=O)[O-])cc1 740392634 YHSAPRISZSATCL-NRFANRHFSA-N 438.505 4.383 5 20 IIBD COc1ccc(Cl)cc1NCCC(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 741149150 MBINEOBRRFPSJH-LBPRGKRZSA-N 446.847 4.413 5 20 IIBD Cc1ccc(Sc2nsc(NC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)cc1 743727670 RRGGJDZRIGNMJC-UHFFFAOYSA-N 431.455 4.375 5 20 IIBD O=C(C[C@H]1CCOC1)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 744284046 NBOXQJYOMPGFRE-LLVKDONJSA-N 439.251 4.486 5 20 IIBD O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 744743591 BGRHNXSECFZNPM-SFHVURJKSA-N 439.299 4.097 5 20 IIBD C[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NCc1ccc(Cl)cc1 745568177 KYYZUHGYDXJBHV-SNVBAGLBSA-N 430.766 4.129 5 20 IIBD C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@@H](O)c1c(F)cccc1Cl 747996048 ACWFPYVJTHJCJR-LFVRLGFBSA-N 438.886 4.186 5 20 IIBD O=C(Nc1nnc(-c2ccco2)s1)c1cc(Br)cc([N+](=O)[O-])c1Cl 750855214 ZLJSBECUNUNJQY-UHFFFAOYSA-N 429.639 4.375 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CSCC(=O)N[C@@H](C)c1ccc(Br)cc1 750950103 QZPVEQZQNSFREU-LBPRGKRZSA-N 439.331 4.477 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Br)cc1Cl 751263276 XCTLGAKFRNKBMP-UHFFFAOYSA-N 426.075 4.465 5 20 IIBD CC(C)(C)OC(=O)N[C@H](C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 751663250 DEZHQBXIRNBCFW-SFHVURJKSA-N 427.413 4.045 5 20 IIBD Cc1c(Br)cc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1[N+](=O)[O-] 753070694 RSBHZBPGYHFQQU-UHFFFAOYSA-N 442.653 4.500 5 20 IIBD Cc1ccc(N2CCC[C@H](NC(=O)c3cc(F)cc([N+](=O)[O-])c3Br)C2)cc1 755014446 STDIDXDQNGDDQR-AWEZNQCLSA-N 436.281 4.204 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cn1 756656842 CBVXCFGBJDZNCA-UHFFFAOYSA-N 426.816 4.156 5 20 IIBD C[C@H](CSc1ccc(F)cc1)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 756729113 QSVUGFRMQCCMCS-LLVKDONJSA-N 426.853 4.297 5 20 IIBD Cn1ccnc1[C@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1 756967931 XHKUJTXVBZZKBK-QGZVFWFLSA-N 434.283 4.224 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)OCc1nnc(-c2c(Cl)cccc2Cl)o1 758085997 QTLGMPZHNQWKNU-UHFFFAOYSA-N 427.175 4.030 5 20 IIBD COc1ccc(-c2ncc(C(=O)O[C@@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)s2)cc1 759945366 HPDDFXNJWPDQPA-JKSUJKDBSA-N 428.470 4.264 5 20 IIBD C[C@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1CNC(=O)OC(C)(C)C 760844393 ULZKCZQOVVQTHC-KXBFYZLASA-N 430.505 4.375 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H]1CC[C@H]2SCCS[C@H]12 762682910 TXZCTRJDKUXSQX-WDBKCZKBSA-N 438.518 4.202 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 764030634 RMGLISYKDOMQLD-IBGZPJMESA-N 429.517 4.123 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 766108844 JVZPOFVCIMXMLU-QPPBQGQZSA-N 448.567 4.322 5 20 IIBD Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 768354622 RYMXZFVTBUNKKL-JOCHJYFZSA-N 435.436 4.187 5 20 IIBD CC(=O)[C@H](Cc1c(F)cccc1F)OC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 768693201 AJFJBSHNVZTRRB-SFHVURJKSA-N 427.787 4.039 5 20 IIBD Cc1cc2oc(=O)cc(COC(=O)c3sc(Br)cc3[N+](=O)[O-])c2cc1C 773603673 HFCOPUBSHXKJMG-UHFFFAOYSA-N 438.255 4.499 5 20 IIBD C[C@@H](OC(=O)C(C)(C)c1ccc(O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 773728059 SLOLOPYTBGQSAI-LLVKDONJSA-N 440.374 4.167 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc2c1N(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)CC2 775295436 KCAONEBVQVSDSA-UHFFFAOYSA-N 431.420 4.049 5 20 IIBD CN1CCC(N(C)[C@@H]2CCCC[C@@H]2N(C)C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 775999190 SYXIFMJZTRVCFN-UXHICEINSA-N 437.972 4.049 5 20 IIBD COc1ccc(CN2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3F)c3ccccc3C2=O)cc1 777870833 XAXLAIGNAPSUJB-MTJSOVHGSA-N 432.407 4.466 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 779564275 ARBLFYYXGWBOEH-HXUWFJFHSA-N 440.887 4.264 5 20 IIBD O=C(OCc1ccccc1)[C@H]1CCCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 780643434 VWPFOOQCZPGGHB-HSZRJFAPSA-N 426.472 4.029 5 20 IIBD O=C(CCN1CCCCC[C@@H]1C[C@H](O)c1cccs1)Nc1cc([N+](=O)[O-])ccc1F 782507902 WLUXSVOQUWNXJI-BEFAXECRSA-N 435.521 4.492 5 20 IIBD Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)o2)cc1C 785679040 UJJARUCZHUPQNL-OAHLLOKOSA-N 433.424 4.365 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(COc2ccc(Cl)nc2)CC1 788791075 DLKUZTQUGRAEHP-AWEZNQCLSA-N 435.933 4.441 5 20 IIBD Cc1cnc(COC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)c(C)c1[N+](=O)[O-] 789672522 WNENLNRJXZDGMC-FQEVSTJZSA-N 437.418 4.104 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2cnccc2-c2cccc(F)c2)c(C)c1[N+](=O)[O-] 790638879 DPOIWOIVQOKDFT-UHFFFAOYSA-N 446.416 4.122 5 20 IIBD O=C(NC[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1)OCc1ccccc1 793298700 OABFKUUWKSBSPI-KRWDZBQOSA-N 449.454 4.335 5 20 IIBD O=C(CN[C@H](CCO)c1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 796428090 CBYHSPRKXNDHKD-OAHLLOKOSA-N 432.691 4.207 5 20 IIBD O=c1oc2cccc([N+](=O)[O-])c2n1CN1CCC[C@@H]1c1ccc(Br)c(F)c1 797413002 FZEPCKIZVCWOQW-CQSZACIVSA-N 436.237 4.199 5 20 IIBD Cc1cc(OCC(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1[N+](=O)[O-] 797495483 DVUQLSYSIKLVAR-UHFFFAOYSA-N 446.765 4.136 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 797633896 VYSPBKMSELBOHB-IBGZPJMESA-N 440.500 4.382 5 20 IIBD Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 801089071 BLBBHPTZWNXCSP-UHFFFAOYSA-N 430.867 4.255 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCc2cc(Cl)cc(Br)c21 801711853 OXUPBNXPSFYBIV-UHFFFAOYSA-N 426.610 4.122 5 20 IIBD COc1cc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)ccc1OCc1ccccc1 801826811 RMYUYRLRXXFTDK-AWEZNQCLSA-N 439.443 4.395 5 20 IIBD O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 803536696 OAQNCXMDTSZQHS-NRFANRHFSA-N 444.329 4.096 5 20 IIBD O=Cc1ccc(OCC(=O)N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)c([N+](=O)[O-])c1 804196821 AMQBRASUOINYLA-INIZCTEOSA-N 436.386 4.211 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1cc2c(cc1Cl)OCCO2 808500302 XKSRYYHETJYYFX-UHFFFAOYSA-N 435.863 4.323 5 20 IIBD Cc1cccc(NC(=O)Cc2noc(-c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)n2)c1 809458322 VLZFJUTWEBHBNV-UHFFFAOYSA-N 435.484 4.371 5 20 IIBD O=C(NC1(c2noc(-c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)n2)CCCC1)c1ccccc1 809507323 LILGNCIBQJJQNS-UHFFFAOYSA-N 444.451 4.030 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@@]3(CCc4ccccc4O3)C2)c(Cl)cc1Cl 809862938 MIACMUKDKCVFIQ-SFHVURJKSA-N 443.308 4.060 5 20 IIBD COc1ccc(C2=NO[C@@H](CNC(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)cc1C 813571195 JZKPLBFKPWRPPI-CYBMUJFWSA-N 438.267 4.142 5 20 IIBD CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)c1 821673108 NKKRONMVCIUPOW-UHFFFAOYSA-N 436.871 4.186 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2csc(Cc3ccccc3)n2)cccc1[N+](=O)[O-] 915455134 WWULIBIGNHLAOD-CQSZACIVSA-N 425.466 4.135 5 20 IIBD CCOC(=O)/C=C/c1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 915832958 OQNDDDSOCXHJDN-BJMVGYQFSA-N 438.358 4.365 5 20 IIBD CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 919191716 BIUDFCAZQUWXSB-OAHLLOKOSA-N 438.440 4.349 5 20 IIBD COc1ccc(NC(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)c([N+](=O)[O-])c1 1346247038 DVEANRWESNSWHS-UHFFFAOYSA-N 430.461 4.315 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3cnc(Cl)s3)CCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 1790186954 XCJPLKVQIFSDTC-UHFFFAOYSA-N 445.888 4.094 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3cccc(F)c3F)cc2)CCC1)c1ccc([N+](=O)[O-])[nH]1 1790329911 SGDPVIVJRYCUTQ-UHFFFAOYSA-N 440.406 4.263 5 20 IIBD C/C=C(\C)C(=O)NC1(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N(C)C)cc2)CCC1 1790793241 NUYHBSOPVZEHMK-FZSIALSZSA-N 436.512 4.375 5 20 IIBD O=C(c1cc(F)ccc1F)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823614330 XQXXANVMQXRXMW-GOSISDBHSA-N 447.438 4.013 5 20 IIBD Cc1c(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C2(C)CC2)CC3)cc(Cl)cc1[N+](=O)[O-] 1823703897 UMAWMIGCGGIAGY-GFCCVEGCSA-N 448.932 4.039 5 20 IIBD Cc1cc(C(=O)N2CCCC23CN(C(=O)c2cc4cc([N+](=O)[O-])ccc4s2)C3)c(C)o1 1842421505 XQLCDBVGBIKTJB-UHFFFAOYSA-N 439.493 4.150 5 20 IIBD Cc1c(C(=O)N2CCCC23CN(C(=O)CCc2ccsc2)C3)cc(Cl)cc1[N+](=O)[O-] 1845499138 JHISOQHCOAQDSU-UHFFFAOYSA-N 447.944 4.068 5 20 IIBD CCCn1c(SCC(=O)O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nc2ccccc21 9249317 BBXWFQVZPSXZMZ-CQSZACIVSA-N 442.497 4.017 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NCCOc1ccccc1 14938030 PHABLUPNXDCJMS-UHFFFAOYSA-N 442.475 4.185 5 20 IIBD COc1cc(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OC(F)F 15033671 HMDPVVVFBXCAIM-UHFFFAOYSA-N 449.332 4.066 5 20 IIBD O=S(=O)(c1ccc(CNCc2c3ccccc3cc3ccccc23)cc1)N1CCOCC1 17317367 MWAFGSJZFKYTJK-UHFFFAOYSA-N 446.572 4.304 5 20 IIBD C[C@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)Nc1cc(F)ccc1F 18591117 LHHLISSOWRXXEG-LBPRGKRZSA-N 425.460 4.484 5 20 IIBD O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 22142285 IBWKWGWBKHJFDE-IBGZPJMESA-N 439.515 4.032 5 20 IIBD Cc1ccc(C(=O)O[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)cn1 23518943 DASQPSDQGRZUAT-LJQANCHMSA-N 425.828 4.488 5 20 IIBD Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N[C@@H]2CCCC[C@H]2C)n1 28809995 RYNVAALYQLNXJO-MLGOLLRUSA-N 449.554 4.363 5 20 IIBD O=C(Nc1cccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1)c1ccncc1 31965758 KGRZTQDVMRSMCB-UHFFFAOYSA-N 445.479 4.097 5 20 IIBD CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C 63765274 HIOVAFJFMNOKAV-UHFFFAOYSA-N 431.283 4.016 5 20 IIBD CCN(CC)C(=O)c1ccc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 64908960 IGVRLXDSRXAAOJ-UHFFFAOYSA-N 438.509 4.130 5 20 IIBD CCc1c(C(=O)NCCc2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(Br)cc1 65123880 HXFGQPPOEARGPL-UHFFFAOYSA-N 443.301 4.078 5 20 IIBD CCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 104683975 KJBZGDQTORGMIE-LBPRGKRZSA-N 439.390 4.159 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCC[C@H](c2nc3ccccc3[nH]2)C1 107924746 WYZHAXYCQMPQIO-ZDUSSCGKSA-N 448.401 4.432 5 20 IIBD CC(C)NC(=O)c1ccc(Cl)c(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 108040704 DKTLZKXDOGUEDX-UHFFFAOYSA-N 444.919 4.242 5 20 IIBD O=C(Nc1cccc(Cl)c1)N1CCCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 109686804 WZWVBKAKPOYTNW-UHFFFAOYSA-N 441.875 4.110 5 20 IIBD COc1cc(/C=C\C(=O)NCc2ccc([N+](=O)[O-])cc2)ccc1OCc1c(C)noc1C 207304898 IKJZRMUMRMPCBI-XFFZJAGNSA-N 437.452 4.117 5 20 IIBD CNC(=O)c1ccc(NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)c([N+](=O)[O-])c1 301097885 NRCXBZOAHIWZID-UHFFFAOYSA-N 437.418 4.134 5 20 IIBD Cc1ccc(NC(=O)C2CCN(c3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)CC2)nc1 302183689 RYYHWLQUAIWAPG-UHFFFAOYSA-N 447.495 4.127 5 20 IIBD O=C(Nc1cccc(-c2ccc3c(c2)CCO3)n1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 303354823 FYIZYJVSYRKOPC-UHFFFAOYSA-N 427.420 4.030 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 303520656 YXQDZYVSUOULOF-AWEZNQCLSA-N 440.475 4.430 5 20 IIBD Cn1cc(-c2cccc(CNC(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)c2)cn1 426000121 RAAWZCOWRSLCFQ-UHFFFAOYSA-N 433.390 4.014 5 20 IIBD O=C(Nc1cc(Cl)c(F)c(Cl)c1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 426185830 ZZTUBWXEARCTET-UHFFFAOYSA-N 426.231 4.170 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@@H]1Cn1cnc2ccccc21 426263120 JHSOKLCFNBVEFI-MRXNPFEDSA-N 447.417 4.338 5 20 IIBD CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 426269577 URYIZNNMNGFFGH-UHFFFAOYSA-N 442.413 4.026 5 20 IIBD C[C@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 428934195 WCAVGAFSFIYNPK-LIRRHRJNSA-N 437.418 4.038 5 20 IIBD COc1cc(CN(C)C(=O)c2ccc(Br)cc2[N+](=O)[O-])ccc1SC 429822342 QVSNKACVEPTXBI-UHFFFAOYSA-N 425.304 4.360 5 20 IIBD O=C(NCCc1ccc(Br)s1)c1ccc(Br)cc1[N+](=O)[O-] 429826118 JFNDZKONRTZSEC-UHFFFAOYSA-N 434.109 4.154 5 20 IIBD Cn1cc(CNc2ccc(Cl)c(CN3CCOCC3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 430049926 HGECBSVGLHLXDI-UHFFFAOYSA-N 441.919 4.093 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@H](C)CC2CCCCC2)cc(Br)cc1[N+](=O)[O-] 430342655 MCNYRZWNHUNLDC-LLVKDONJSA-N 426.311 4.079 5 20 IIBD Cc1ccc(-c2nc(CCNC(=O)c3ccc(Br)cc3[N+](=O)[O-])co2)cc1 431021832 DKTARKIIACHWAG-UHFFFAOYSA-N 430.258 4.293 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCO[C@@H](c2ccccc2Cl)C1 431930019 CCIKWSQQDSMBIP-MRXNPFEDSA-N 425.666 4.224 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCN(Cc2c(F)cccc2Cl)CC1 435834226 IXNWSGJTWQFWDZ-UHFFFAOYSA-N 449.913 4.432 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(CCCO)Cc1ccc(Cl)c(Cl)c1 436356635 BPGZTOYSRJWLIS-UHFFFAOYSA-N 426.300 4.033 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1ccccc1)Cc1ccccc1C 437455124 QEBQDBKKIJIPIL-UHFFFAOYSA-N 433.464 4.079 5 20 IIBD Cc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)cc1S(=O)(=O)Nc1ccccc1 438900959 GZQRSCQVWUNXSQ-UHFFFAOYSA-N 439.493 4.194 5 20 IIBD CC(C)c1ccc(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)cc1[N+](=O)[O-] 439509100 XNVGYPQNBZDNOG-UHFFFAOYSA-N 446.510 4.228 5 20 IIBD O=[N+]([O-])c1ccc(NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(S(=O)(=O)N2CCCC2)c1 439552184 PRKMCDANQSCNIV-ZIAGYGMSSA-N 435.468 4.160 5 20 IIBD COc1cc(OC)c2cc(CCCNC(=O)c3cc(SC)ccc3[N+](=O)[O-])[nH]c2c1 440932589 ZGOOCZROBSKNHS-UHFFFAOYSA-N 429.498 4.178 5 20 IIBD CC[C@]1(C)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3SCCC(=O)OC)cc2O1 443566163 LAIMRPLCNRFTBE-OAQYLSRUSA-N 446.481 4.400 5 20 IIBD COC(=O)c1sc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)nc1C(C)(C)C 444105695 ZTBBLRKLVSBVST-UHFFFAOYSA-N 435.505 4.474 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] 463867467 CKHBEDRGJMFCFE-CYBMUJFWSA-N 428.489 4.479 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CC1 464022959 RPRVMSUWRCQEFA-UHFFFAOYSA-N 435.402 4.017 5 20 IIBD COc1cc(CCNC(=O)N(Cc2cccc(F)c2)C2CCCC2)c([N+](=O)[O-])cc1OC 465212533 BTUHDONTPVISGH-UHFFFAOYSA-N 445.491 4.448 5 20 IIBD O=C(COc1ccccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)Nc1cccnc1 466258550 SSZBHYCGDWMRSM-UHFFFAOYSA-N 432.392 4.006 5 20 IIBD COc1cc(C(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)c([N+](=O)[O-])cc1OC(F)F 466310219 ZGMGHNGNSHPXCS-QGZVFWFLSA-N 442.802 4.072 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 470112636 NZPBOCQLECAHHD-UHFFFAOYSA-N 441.246 4.031 5 20 IIBD CNC(=O)CC1CCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 470257646 BAWXXWPEWQQVOE-UHFFFAOYSA-N 427.526 4.043 5 20 IIBD Cc1nnc(-c2cc(F)ccc2NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)o1 471366292 LUYXOKWZMZTUPX-UHFFFAOYSA-N 435.209 4.416 5 20 IIBD C[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])c1nc(-c2ccc(Br)cc2)no1 472669346 SOZXNTMDYDNZOO-VIFPVBQESA-N 435.209 4.037 5 20 IIBD CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 473880228 ACVGWSLKYGUQMX-UHFFFAOYSA-N 426.517 4.121 5 20 IIBD CC(C)(NC(=O)CNC(=O)c1sc2ccccc2c1Cl)c1ccc([N+](=O)[O-])cc1 474483287 UYJBVPZPSWCBOX-UHFFFAOYSA-N 431.901 4.244 5 20 IIBD CN(c1ccccc1NC(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C1CCCC1 474583592 PAAQFQQYZYFRFR-UHFFFAOYSA-N 438.528 4.051 5 20 IIBD CCO[C@@H](C)c1nc(CN2CCN(C(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)CC2)cs1 475555694 NADSRJKHDJTHLV-INIZCTEOSA-N 447.561 4.115 5 20 IIBD C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F 475640970 SLGTVTOOYBGCAE-APPDUMDISA-N 445.825 4.307 5 20 IIBD NC(=O)c1ccc(F)c(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)c1 483297294 NHWVCJIMUJFCHZ-UHFFFAOYSA-N 442.834 4.351 5 20 IIBD Cc1cccc(COc2cccc(NC(=O)C(=O)NCc3cccc([N+](=O)[O-])c3C)c2)c1 483819488 JUSCCXZTNVPUHI-UHFFFAOYSA-N 433.464 4.046 5 20 IIBD C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)C1(c2ccccc2)CCCC1 484379788 DDWFXGPSCLUETE-SJLPKXTDSA-N 441.553 4.278 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 485594890 QGCIMKMFOYEPKT-PWRODBHTSA-N 449.507 4.468 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N1CC[C@H](OCCCc2ccccc2)C1 486185824 AHPDORSPCDPXSY-AWEZNQCLSA-N 439.331 4.283 5 20 IIBD CC(C)CN1Cc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)c2C1 486743587 BUDUAICWLLPOQV-UHFFFAOYSA-N 443.447 4.386 5 20 IIBD COC(=O)c1c(Br)ccc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1C 486765429 WRLWSKGDKCHONU-NSHDSACASA-N 436.262 4.335 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(OCCc2ccccc2)CC1 488017146 WYNBHPCRCSQLTG-UHFFFAOYSA-N 431.920 4.224 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)cc1OC 489668166 PUTUDXQXVYUXPJ-ZWKOTPCHSA-N 428.485 4.085 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Br)c(OC)c1 489985537 XCNITXJWKNEIFD-UHFFFAOYSA-N 441.303 4.357 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CCC[C@](C)(c3ccccc3)C2)ccc1[N+](=O)[O-] 499872000 ITXMNOABGJECEG-DHLKQENFSA-N 435.524 4.088 5 20 IIBD COc1ccc(CCNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c(Cl)c1OC 500566120 DRZDFXYCIGRXPQ-UHFFFAOYSA-N 443.283 4.047 5 20 IIBD CCn1c2ccccc2c2cc(NC(=O)Cn3cc(Br)c([N+](=O)[O-])n3)ccc21 502840540 KMKOQHATHCMAGN-UHFFFAOYSA-N 442.273 4.320 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCC(CCCN3CCCC3)CC2)cc1[N+](=O)[O-] 510481771 YONVAPVPPZHUOB-UHFFFAOYSA-N 438.366 4.394 5 20 IIBD O=C(N[C@H](C[C@@H]1CCOC1)c1ccccc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 511398317 MILAROPYAFQHTC-FDDCHVKYSA-N 439.512 4.316 5 20 IIBD CNS(=O)(=O)c1ccc(Nc2ccc(Oc3ccccc3OC)c(F)c2)c([N+](=O)[O-])c1 511711772 JFCPPMIANQTCEG-UHFFFAOYSA-N 447.444 4.187 5 20 IIBD COc1ccc(NC(=O)CN[C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 511877762 IBJLMRFNDWIOFC-SJORKVTESA-N 437.418 4.487 5 20 IIBD NC(=O)N1CCc2cc(NC(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)ccc21 512253252 ZDPVWKYMRZMSTK-UHFFFAOYSA-N 434.477 4.440 5 20 IIBD COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)N2[C@@H](C)CCC[C@H]2C)cc1OC 514320101 XALBXGLZMGTVSF-GASCZTMLSA-N 441.484 4.267 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1[N+](=O)[O-] 514570799 PGSMIXBQIFDRIC-LZWOXQAQSA-N 430.423 4.463 5 20 IIBD C[C@H]1CCC[C@H](OCCCCCC(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 514686739 JXOHAVXUSVGREX-PMACEKPBSA-N 445.560 4.035 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl 516045289 XHOIASHREYQLSV-IBGZPJMESA-N 427.819 4.232 5 20 IIBD COc1ccc(Cl)cc1C1(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCOCC1 516319238 YBXMGDXAAPMESI-UHFFFAOYSA-N 439.295 4.388 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc2)c(Cl)c1 517960451 DBYFCYGAXADLFE-UHFFFAOYSA-N 446.868 4.372 5 20 IIBD CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1ccc([N+](=O)[O-])cc1Cl 520990360 CSCJCBQWCDMQFR-UHFFFAOYSA-N 440.725 4.215 5 20 IIBD O=C(CC1CCCC1)NCCNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 522709223 BGCFPYNMFNDKPR-UHFFFAOYSA-N 426.473 4.205 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)NCc1ccc(Cn2cnc3ccccc32)cc1 523902964 USHPLIPIAJXHCH-UHFFFAOYSA-N 429.480 4.035 5 20 IIBD CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CCN1Cc1ccccc1 524252821 CJTPLCKEGNYQTO-UHFFFAOYSA-N 432.318 4.094 5 20 IIBD O=C(Nc1ccc(F)cc1)C1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 524838895 JHPMBYFLXUPABA-UHFFFAOYSA-N 442.491 4.117 5 20 IIBD O=C(Nc1ccc2scnc2c1)c1cc(I)cc([N+](=O)[O-])c1 534287024 IAMSBFOCTFLBEO-UHFFFAOYSA-N 425.207 4.061 5 20 IIBD NC(=O)c1ccc(NCc2ccccc2)c(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1 535146478 FNMSMIBSAIYKLG-UHFFFAOYSA-N 429.436 4.039 5 20 IIBD C[C@@H](NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 535963845 OJNVJMCXJRFENG-SUZVAJBCSA-N 446.472 4.321 5 20 IIBD CS[C@H](C)CCC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 538009138 WHGIFHDMZWYDDO-CQSZACIVSA-N 437.543 4.174 5 20 IIBD COc1ccc([C@H](C)NCCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Br 538169210 HTQULUZJGUCEJT-ZDUSSCGKSA-N 436.306 4.354 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN3CCS[C@@H]4COCC[C@H]43)o2)c(Br)c1 538810433 NTYGEVDAABIDPI-SJLPKXTDSA-N 439.331 4.324 5 20 IIBD CN1CCC(Nc2ccccc2NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC1 538831872 BTWVWYKFXFGNAM-UHFFFAOYSA-N 431.496 4.415 5 20 IIBD CCOc1cc(Nc2cnn(CC(=O)Nc3ccc(SC)cc3)c2)ccc1[N+](=O)[O-] 538937565 KFIOUEJWHPHUHV-UHFFFAOYSA-N 427.486 4.294 5 20 IIBD CC(C)(NC(=O)c1cccc(Cl)c1)c1noc(C(F)(F)c2ccc([N+](=O)[O-])cc2)n1 539758374 UBSPGXKYNMEOIR-UHFFFAOYSA-N 436.802 4.436 5 20 IIBD CC(C)N(Cc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1)C[C@H]1CCCCO1 540421717 IWMATKVZKZMUCJ-OAQYLSRUSA-N 441.528 4.392 5 20 IIBD O=C(NCc1nc(-c2cccc(Cl)c2)no1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 540523884 DZZMPKQEIXEIBA-UHFFFAOYSA-N 435.827 4.290 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc(C(F)(F)F)ccc1Br 541498630 REHZFOVGOBPXBC-UHFFFAOYSA-N 433.180 4.315 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@H](c2oc3ccccc3c2C)C(C)C)cc1[N+](=O)[O-] 542105089 BVDSNTQSLOMKHU-IBGZPJMESA-N 425.441 4.110 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC[C@H]1CCO[C@@H](C)C1 542281598 HIIJJYYIOHQLHK-HOTGVXAUSA-N 449.529 4.021 5 20 IIBD O=C(Nc1cccc2c1CN(c1nccs1)C2)c1cc([N+](=O)[O-])ccc1OC(F)F 542778900 LBVKYYDHPCWRMC-UHFFFAOYSA-N 432.408 4.425 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccs2)cc1[N+](=O)[O-] 543013517 PMKQMENSJMJFNC-SFHVURJKSA-N 445.884 4.163 5 20 IIBD O=C(CCN1CCCCC1)Nc1cccc(NC(=O)CSc2ccccc2[N+](=O)[O-])c1 543142468 DOFFXKZQQDRUDZ-UHFFFAOYSA-N 442.541 4.140 5 20 IIBD CC(C)[C@H](Cc1ccccc1)C(=O)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 544690017 HXKHZKBDUHMLAC-FQEVSTJZSA-N 435.528 4.025 5 20 IIBD Cc1nc(COc2cccc(/C=C\c3nc(Cc4ccc([N+](=O)[O-])cn4)no3)c2)cs1 545786552 XEAZBLYWUVHDAN-YVMONPNESA-N 435.465 4.478 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)N2CCc3cc(F)ccc32)cc1[N+](=O)[O-] 549174216 SQPAHAYCMPSNAY-UHFFFAOYSA-N 433.439 4.234 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC(CCCn2ccnc2)CC1 551522862 ATJLHIADXYIMHW-UHFFFAOYSA-N 435.322 4.195 5 20 IIBD O=C(Nc1ccc(F)cc1OC1CCOCC1)c1sc(Br)cc1[N+](=O)[O-] 552951626 BEQXTHGMAFLKQF-UHFFFAOYSA-N 445.266 4.368 5 20 IIBD CCc1c(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)nnn1Cc1ccc(F)cc1 554988728 SRWCEVNBFYQAFD-UHFFFAOYSA-N 440.479 4.379 5 20 IIBD Cn1cnc([N+](=O)[O-])c1-c1noc(-c2cccnc2Nc2cccc(C(F)(F)F)c2)n1 558376813 NAWQVFAPSJUCMX-UHFFFAOYSA-N 431.334 4.203 5 20 IIBD Cn1ccnc1[C@H](Nc1ccc(NC(=O)CC(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 559072671 OSMFCFFYXJWEKI-GOSISDBHSA-N 433.390 4.421 5 20 IIBD Cc1ccc(CN2C(=O)CC[C@H]2c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)cc1 561909219 GEAWHTFCCSMQMA-FQEVSTJZSA-N 431.452 4.222 5 20 IIBD O=C(Cc1ccc2c(c1)COC2)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 564294718 GZVKPFNCDOSOLE-UHFFFAOYSA-N 430.420 4.252 5 20 IIBD CC(=O)N(c1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1)[C@@H]1C[C@H]1C 579607507 PLABOUNBXHEBPX-ADLMAVQZSA-N 432.274 4.371 5 20 IIBD O=C(NC1(Cc2ccc(F)cc2Cl)CCOCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 580616156 HKAVJXHTZOONGS-UHFFFAOYSA-N 431.851 4.390 5 20 IIBD CC(=O)N(c1ccc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@@H]1C[C@H]1C 580944528 UKQZQBDXDBPSIO-FZKQIMNGSA-N 431.876 4.417 5 20 IIBD Cc1ccc(OC(F)F)c(CNCc2cc(I)cc([N+](=O)[O-])c2)c1 589314643 JNKCWZOWICFULZ-UHFFFAOYSA-N 448.207 4.399 5 20 IIBD Cc1ccc(C)c(Oc2ccc(CNC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)cn2)c1 603667767 FVIBUOWMYRLSIF-UHFFFAOYSA-N 435.436 4.100 5 20 IIBD O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 603741295 ZOKKLCMQIJZIBK-SNEKZUEESA-N 426.435 4.207 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(C(=O)NCc3ccc(C)cc3)c2)c1 603761816 OUZJCGJJDUCLCP-UHFFFAOYSA-N 449.532 4.485 5 20 IIBD Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)n(-c2cccc(C(F)(F)F)c2)n1 608927680 FEDFXBVUBFSDAT-UHFFFAOYSA-N 440.403 4.217 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(OCc3cccnc3)cc2)no1 609475538 GYNQKMDQZDYIPG-OAHLLOKOSA-N 445.435 4.110 5 20 IIBD COc1cc(F)c(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c(F)c1 610338422 GFKSWNQXZNVPCG-UHFFFAOYSA-N 434.420 4.277 5 20 IIBD COc1cc(CNc2ccc(Cn3cccn3)cc2)c([N+](=O)[O-])cc1OCC(F)(F)F 610910122 BNAMTDCNVFXEDP-UHFFFAOYSA-N 436.390 4.401 5 20 IIBD C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CCC[C@H](C[C@@H]2CCOC2)C1 611350816 TUNHFQRIIJQZEU-ZACQAIPSSA-N 444.557 4.184 5 20 IIBD Cc1nc(-c2ccc([C@@H](C)NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cs1 611997521 BSELHRBUOXYRIT-CQSZACIVSA-N 438.509 4.024 5 20 IIBD COc1ccccc1[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 613342628 CUDWMNDZFJMAMX-KRWDZBQOSA-N 427.482 4.068 5 20 IIBD CCCCc1nc(-c2ccc(OS(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2)no1 725825621 FLLZQQMFWSGYGG-UHFFFAOYSA-N 437.861 4.409 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1cccc(Cl)c1SC(F)F)c1cccc([N+](=O)[O-])c1 726290798 WYIVGKZFHSRGQV-SECBINFHSA-N 429.832 4.379 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)[C@@H](OC2CCCC2)c2ccccc2)cccc1[N+](=O)[O-] 727015640 BEYJSPCSXOOCSE-KKSFZXQISA-N 426.469 4.474 5 20 IIBD Cc1ccc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1I 728020087 NANIIHKLHOBKSK-UHFFFAOYSA-N 444.656 4.433 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C(=O)N(C)C2CCCCC2)C(C)C)cc1SC 728648905 BQMBTRNYDPSKJX-LJQANCHMSA-N 438.546 4.298 5 20 IIBD COc1ccc(OC(=O)C[C@H](NC(=O)c2ccc(C)cc2)c2ccccc2)c([N+](=O)[O-])c1 729823761 MCQSGKGXAMQUPG-FQEVSTJZSA-N 434.448 4.379 5 20 IIBD O=C(COC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ccc(OC(F)F)c(Cl)c1 730645723 OXGOUDKFJJVDBS-UHFFFAOYSA-N 435.166 4.299 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 730691384 UPUHLGVLUWUUDL-UHFFFAOYSA-N 437.330 4.419 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)[C@H]2C[C@H]2c2cccc3ccccc23)c([N+](=O)[O-])c1 730873867 OGPVBCDZLLVUFD-PMACEKPBSA-N 434.448 4.432 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(c2nc3ccccc3[nH]2)CC1 731843514 MZTZMMFPOFXEAJ-CYBMUJFWSA-N 427.892 4.331 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)cc2)nc1 733635594 BIZJBVVAUHZXIF-UHFFFAOYSA-N 433.468 4.445 5 20 IIBD C[C@H](Nc1cccc2c1CCN(C(=O)OC(C)(C)C)C2)C(=O)Nc1cccc([N+](=O)[O-])c1 734157575 BTRYTMIKIRIUTO-HNNXBMFYSA-N 440.500 4.327 5 20 IIBD COc1cc(COC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)c([N+](=O)[O-])cc1OC(F)F 734923723 RASBIPIVZHWHSU-WDEREUQCSA-N 429.322 4.330 5 20 IIBD O=C(CCc1ccc(Cl)cc1Cl)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 735340762 AXPSXMDGNOSJSA-UHFFFAOYSA-N 439.251 4.376 5 20 IIBD C[C@H](OC(=O)c1ccc(SCCCO)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 735946754 AKDIAFLXFLPISV-ZDUSSCGKSA-N 429.454 4.037 5 20 IIBD COc1cc(N2CCC(OC(=O)c3ccc(Br)cc3)CC2)ccc1[N+](=O)[O-] 739383651 AMDDIDDRFKLVPD-UHFFFAOYSA-N 435.274 4.192 5 20 IIBD C[C@H](CS(C)(=O)=O)N(C)C(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34 742253705 HBALTZGDGPUWEK-MRXNPFEDSA-N 435.545 4.438 5 20 IIBD C[C@@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 742529970 LMCNOUXVRPLOFU-OXQOHEQNSA-N 427.501 4.455 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NCCc2ccc(N3CCCCC3)cc2)c([N+](=O)[O-])c1 742559635 VZZYMDMKPCVROS-UHFFFAOYSA-N 433.512 4.204 5 20 IIBD O=C(NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 744075882 TXDYHOFIBBKATQ-RYUDHWBXSA-N 449.699 4.164 5 20 IIBD COc1ccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1SC(F)(F)F 744408070 VQCYEPCLWAEPEK-CYBMUJFWSA-N 428.436 4.297 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)C1(c2cccc(Cl)c2)CCC1 744537445 RRMBZPLDCZCUFB-CYBMUJFWSA-N 432.860 4.249 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc(Cc2ccc(Cl)cc2)no1 744766556 KNBIWXOKLHXUDS-SNVBAGLBSA-N 432.776 4.048 5 20 IIBD COc1ccc(CC(=O)OCc2ncc(-c3ccccc3Br)o2)cc1[N+](=O)[O-] 744943580 GXBJGRROKHKEEW-UHFFFAOYSA-N 447.241 4.307 5 20 IIBD C[C@H](OC(=O)[C@@H]1CCCCN1Cc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 745103911 IPJHVVKMLSXIML-YWZLYKJASA-N 445.903 4.173 5 20 IIBD C[C@H](OC(=O)CCNC(=O)Nc1ccc(Br)cc1)c1ccccc1[N+](=O)[O-] 749055688 NKFLEHOXJQBFRL-LBPRGKRZSA-N 436.262 4.173 5 20 IIBD Cc1c(C(=O)N2CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])CC2)sc2ccccc12 750035123 DKDUZBVEBNWKNX-UHFFFAOYSA-N 443.912 4.370 5 20 IIBD O=C(CCCOc1ccccc1Cl)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 750434982 QTLIWUXJCIKSHB-UHFFFAOYSA-N 433.892 4.262 5 20 IIBD COC[C@@H](C)n1c(SCC(=O)Oc2cccc([N+](=O)[O-])c2C)nnc1-c1ccccc1 751093133 LWXBPFANZUZCRA-CQSZACIVSA-N 442.497 4.067 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])c(Br)cc2F)cc1F 751691146 HOWVHJHHFXNHEC-VIFPVBQESA-N 443.200 4.128 5 20 IIBD Cn1ccnc1[C@@H](NCC1(C)CCN(C(=O)OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 753586185 DUJXKWQKZKRPQH-IBGZPJMESA-N 443.548 4.045 5 20 IIBD COc1cc(C(=O)OCc2ccc(F)cc2F)c([N+](=O)[O-])cc1OCc1cscn1 754086966 SQEFCDGJRGDSSH-UHFFFAOYSA-N 436.392 4.274 5 20 IIBD CC(C)[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1nc2ccccc2[nH]1 754964531 BGCLFFZZYMUEPB-MRXNPFEDSA-N 435.253 4.500 5 20 IIBD C[C@H](CONC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)NC(=O)OC(C)(C)C 756606771 BHOGXMMVTRJRAT-CQSZACIVSA-N 446.460 4.353 5 20 IIBD O=C(Cn1ccc([N+](=O)[O-])n1)O[C@H](c1cccc(F)c1)c1cccc(Br)c1 758074810 HHLIVQJKFTZXRD-SFHVURJKSA-N 434.221 4.026 5 20 IIBD Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 758872596 AXJOIHLPBBZOQS-GOSISDBHSA-N 438.528 4.371 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CS(=O)(=O)C[C@@H](O)c3ccc4ccccc4c3)co2)cc1 760229383 JFZIDDJTOQYYCI-OAQYLSRUSA-N 438.461 4.051 5 20 IIBD C[C@@](CO)(NC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)C1CC1 762297668 GMOXUIQFOIBTJG-FQEVSTJZSA-N 437.855 4.140 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1ccc(OC(F)F)cc1 763807242 VERBVIQSIXZVRV-UHFFFAOYSA-N 426.397 4.104 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCc1ccn(-c2ccc(Cl)cc2)n1 767587662 NOLPHMKFDHUCPS-UHFFFAOYSA-N 430.804 4.018 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 767595147 FQOISAXIXSQYQU-GFCCVEGCSA-N 440.449 4.087 5 20 IIBD O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 768984161 QVFNSFSUPORFPE-GOSISDBHSA-N 440.397 4.259 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@@H](C)Oc1cccc2ccccc12 769361027 ZIGXEDPRBIQLAD-LSDHHAIUSA-N 438.436 4.094 5 20 IIBD Cc1cnc(COC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)s1 771898494 ZVVOSFYDRANHIG-UHFFFAOYSA-N 434.477 4.498 5 20 IIBD C[C@H](OC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 772112123 DHHJQECYPLVUAE-AWEZNQCLSA-N 443.456 4.055 5 20 IIBD CSCC[C@@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 772489957 PEORRLRUJVHDNO-LLVKDONJSA-N 425.557 4.004 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1 773424789 JZLPZVLFAJNWHH-GXTWGEPZSA-N 443.294 4.094 5 20 IIBD CC(C)(C)OCc1ccccc1C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 773799595 XNASXJLPYCQPGW-GOSISDBHSA-N 440.496 4.372 5 20 IIBD C[C@H](C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1cn(C)c2ccccc12 774077217 LJOZXKRHXRDLCW-IRXDYDNUSA-N 435.480 4.038 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 775172199 FJRSKFHJXHRBGL-INIZCTEOSA-N 443.656 4.364 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O 775492017 MZPUEGBOFLSJCQ-LJQANCHMSA-N 427.526 4.016 5 20 IIBD COc1cc(C)ccc1Oc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cn1 777917006 HHNLKVYYAHVHBQ-UHFFFAOYSA-N 447.444 4.347 5 20 IIBD CCc1nc2ccccc2n1C1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 778073338 MYTMWORUXGYXKY-UHFFFAOYSA-N 428.439 4.462 5 20 IIBD O=C(CSc1nncn1-c1cccc(Cl)c1)OCc1ccc([N+](=O)[O-])cc1Cl 778335063 SSUDZGFYLHGROA-UHFFFAOYSA-N 439.280 4.318 5 20 IIBD CCc1[nH]nc(C(=O)N[C@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)c1[N+](=O)[O-] 779664580 ZJZBGAWHRCJYDF-INIZCTEOSA-N 429.477 4.035 5 20 IIBD C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781714291 WONLFEPXTZIUCY-LLVKDONJSA-N 426.256 4.490 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1cc(=O)c2cc(Br)ccc2[nH]1 782336688 DTAIHTZMSQGVPK-UHFFFAOYSA-N 437.633 4.209 5 20 IIBD Cn1nc(C(F)(F)F)c(COC(=O)c2cccc([N+](=O)[O-])c2Br)c1Cl 782358176 KLVWPZKTFKAZLD-UHFFFAOYSA-N 442.575 4.120 5 20 IIBD C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 783319110 KGVVGBWKDQXKDL-SECBINFHSA-N 430.675 4.241 5 20 IIBD CC(C)(C)OC(=O)Nc1cnc(C(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)cn1 783451827 UWYDARBYVOPQSX-UHFFFAOYSA-N 447.879 4.442 5 20 IIBD C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCc1cc([N+](=O)[O-])ccc1Cl 783518167 KIULFUPKVMGAJD-CYBMUJFWSA-N 430.892 4.104 5 20 IIBD CC(C)(C)OC(=O)NC(C)(C)c1noc(-c2cc([N+](=O)[O-])ccc2N2CCCCC2)n1 789766987 CRKRPSWGCVYJGO-UHFFFAOYSA-N 431.493 4.395 5 20 IIBD COc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)c2c[nH]c3ccccc23)cc1 791310809 IMAYIUXHKWFTEO-GOSISDBHSA-N 448.454 4.368 5 20 IIBD COc1cc(C(=O)O[C@H](C)c2ncccc2F)c([N+](=O)[O-])cc1OCc1cscn1 791794841 NDFQPGHSKNNQNJ-LLVKDONJSA-N 433.417 4.091 5 20 IIBD O=[N+]([O-])c1cccc(N(CC[C@@H](O)c2ccccc2)S(=O)(=O)c2ccc(F)c(F)c2)c1 795200372 SPGAQECLSXXPMW-OAQYLSRUSA-N 448.447 4.192 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCOc3ccc(C)cc3C2)c1=S 795708826 BGUOCRYKKNFWAL-UHFFFAOYSA-N 425.514 4.170 5 20 IIBD COc1cc(C(=O)Oc2ccc3c(c2)C(=O)CC(C)(C)O3)c([N+](=O)[O-])cc1OC(F)F 797169513 IPSLOJCXVDOKGK-UHFFFAOYSA-N 437.351 4.168 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1 797459123 BNPTUXVHURZDAV-AWEZNQCLSA-N 447.257 4.161 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 799358983 PDSIFKPWWGTHOJ-JKSUJKDBSA-N 445.520 4.333 5 20 IIBD C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] 799721771 VEQICUYRMXAVQI-CQSZACIVSA-N 431.514 4.389 5 20 IIBD C[C@H](C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 800376479 BPEDKCBIGFVULT-ORYQWCPZSA-N 439.512 4.218 5 20 IIBD Cc1c(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c(=O)oc2ccc(Br)cc12 801089235 FLXPPFKMYRSJOV-UHFFFAOYSA-N 445.269 4.087 5 20 IIBD CN(C)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccc(Cl)cc1 802677438 CZKNUXAYXBNFKP-AWEZNQCLSA-N 426.698 4.043 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)c(O)cc1F 805258193 CXPVEOJZUHKCGM-UHFFFAOYSA-N 428.825 4.000 5 20 IIBD O=C(COCc1cccnc1)Nc1cc(Cl)c([N+](=O)[O-])cc1OCc1ccccc1 808013940 UIKNKAHFJVRSHP-UHFFFAOYSA-N 427.844 4.378 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCC[C@H]1c1ccccc1 810356557 MMMBXZXMVNRQSA-DOTOQJQBSA-N 446.301 4.138 5 20 IIBD O=C(COC(=O)c1cc(C(F)(F)F)cc(Cl)n1)Nc1cc([N+](=O)[O-])ccc1Cl 811230882 YBCGCQZJCQVRTC-UHFFFAOYSA-N 438.145 4.111 5 20 IIBD O=C(NC[C@H]1CCCO1)c1cccc(CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 811475705 LDPAZFIITOHNED-QGZVFWFLSA-N 438.311 4.100 5 20 IIBD O=C(CCOc1cccc(I)c1)Nc1cccc([N+](=O)[O-])c1Cl 813243977 HZZWLQOHNZBGEE-UHFFFAOYSA-N 446.628 4.260 5 20 IIBD CC(C)S(=O)(=O)c1ccc(CC(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 815231960 OZIWGPNFOKBXIX-UHFFFAOYSA-N 445.415 4.082 5 20 IIBD Cc1c(C(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)nnn1Cc1ccc(F)cc1 815239464 PUKCJIQDDCWPDX-UHFFFAOYSA-N 438.337 4.058 5 20 IIBD Cn1cc(Br)c(C(=O)OCc2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)n1 815976534 OWNFTMVQZYCADI-UHFFFAOYSA-N 432.230 4.240 5 20 IIBD CN(C)c1cc(F)c(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1[N+](=O)[O-] 821671717 JABMHBZWWXIXHQ-UHFFFAOYSA-N 437.353 4.257 5 20 IIBD Cc1ccc(-n2ncc(C(=O)OCC(=O)Nc3c(C)cccc3[N+](=O)[O-])c2C(C)C)cc1 914978283 MQEJCAATBAIYJO-UHFFFAOYSA-N 436.468 4.316 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Oc1ccccc1I 916864580 YJJFCLVREAUJQS-JTQLQIEISA-N 429.235 4.286 5 20 IIBD Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 917742320 DADJPPQCKPTSDM-IYBDPMFKSA-N 449.511 4.010 5 20 IIBD O=C(c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CCC[C@H]1C1CCCC1 917874016 ZOFFTPUUQRKNBC-NRFANRHFSA-N 444.509 4.157 5 20 IIBD O=C(N[C@@H](c1ccccc1)C1CCCC1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 918644539 CCHBZXWZCPIUNZ-VGSWGCGISA-N 425.460 4.135 5 20 IIBD O=C(OCc1nccn1Cc1ccccc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 919195134 BKEKPCSWWHXHLY-UHFFFAOYSA-N 435.358 4.138 5 20 IIBD COC(=O)c1ccc(F)c(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2-c2cccs2)c1 920315977 SUKOTXQQYSFJPE-UHFFFAOYSA-N 437.426 4.017 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c(Br)c1 1116650621 CAGLAOJUSCROSS-ZDUSSCGKSA-N 433.228 4.410 5 20 IIBD Cc1cnc(COC(=O)c2nn(-c3ccccc3F)cc2Br)c(C)c1[N+](=O)[O-] 1116755284 CABZXLHEFYUJEZ-UHFFFAOYSA-N 449.236 4.051 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCc1ccc(C(=O)N2CCCC2)cc1 1322276464 BMNSKJDZVKQEJC-UHFFFAOYSA-N 447.285 4.259 5 20 IIBD COc1cc(Cl)c(Br)cc1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 1326345256 VLJUXHAPIATQSN-UHFFFAOYSA-N 428.622 4.059 5 20 IIBD COc1cccc(Nc2nn(CN3CCc4ccc([N+](=O)[O-])cc4C3)c(=S)s2)c1 1332161470 OIHKNAJNTMOMBX-UHFFFAOYSA-N 429.527 4.350 5 20 IIBD C[C@@H](Cc1ccncc1)C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1 1791034990 SMCFFXWENWLDRC-INIZCTEOSA-N 448.479 4.209 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc([N+](=O)[O-])o1)c1cccc2c1CCCC2 1793277922 WRMXNOJYYPQCRA-BMUSQUIPSA-N 449.507 4.032 5 20 IIBD C[C@@]1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1(F)F 1801208468 GMDVPUKPZWIDJU-PSUSHLJKSA-N 449.479 4.107 5 20 IIBD Cc1ccc(CC(=O)N2CCCC23CN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)C3)cc1[N+](=O)[O-] 1845206215 PMIVKTZVFXMXLW-MEMLXQNLSA-N 441.572 4.112 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1Cc1ccccc1)Nc1cccc(C(=O)NC2CC2)c1 11273801 RBOLBYYPRPEDTQ-UHFFFAOYSA-N 445.475 4.095 5 20 IIBD O=C(CSc1nnc(NCc2ccccc2)s1)Nc1cc(Cl)ccc1[N+](=O)[O-] 11408340 VMVIMKMHAVRCND-UHFFFAOYSA-N 435.918 4.443 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@@H](NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1 15505526 MMUWKSDLVDDNKD-QHCPKHFHSA-N 434.496 4.293 5 20 IIBD CN(C)C(=O)[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)c1ccccc1 17892518 RMDWDFHDUUMMKU-JOCHJYFZSA-N 433.464 4.193 5 20 IIBD O=C(NC[C@@H]1CCCO1)Nc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 21208033 UFNKHXOATNKQHT-KRWDZBQOSA-N 440.481 4.362 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 22196899 MPBUBPIIMVSXNG-JOCHJYFZSA-N 442.515 4.354 5 20 IIBD C[C@H](OC(=O)COc1ccccc1[N+](=O)[O-])C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 22512033 ZCTDREXXBLCBHJ-NEPJUHHUSA-N 441.267 4.090 5 20 IIBD CC1CCN(c2ccc(C(=O)NCc3coc(-c4cccs4)n3)cc2[N+](=O)[O-])CC1 29771167 OXVGVAFMSJTXSI-UHFFFAOYSA-N 426.498 4.478 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NC[C@@H]3Cc4ccccc4O3)cc2[N+](=O)[O-])n1 33112343 COVGWXRYJBOARV-HNNXBMFYSA-N 427.507 4.244 5 20 IIBD COc1cc(C)c([C@H](C)NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1OC 46815786 JGAMETDFWOVQCA-KRWDZBQOSA-N 430.504 4.358 5 20 IIBD O=C(c1ccc(Cl)cc1)C1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 60483540 IBZKDFMGUAZNNK-UHFFFAOYSA-N 426.860 4.393 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1cccc(COCc2ccco2)c1 108415060 HPPLIOHLXYCIFH-HNNXBMFYSA-N 425.441 4.352 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1nc(Cc2ccccc2)c(-c2ccccc2)s1 109713340 VIKOZJVRFRPNTB-UHFFFAOYSA-N 446.488 4.110 5 20 IIBD COCCN(Cc1ccccc1)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 115700636 YVYOUOFRNFQHFE-SFHVURJKSA-N 434.496 4.452 5 20 IIBD CN1CCN(Cc2ccc(CNCc3ccc(-c4ccccc4[N+](=O)[O-])s3)cc2)CC1 237091310 XZCYWNKZJHHUME-UHFFFAOYSA-N 436.581 4.361 5 20 IIBD Cc1ccc([C@@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 301476088 SSCGRBKVRSWWCE-OAQYLSRUSA-N 441.465 4.416 5 20 IIBD NS(=O)(=O)c1cccc(N2CCC(=Cc3cc(Cl)ccc3Cl)CC2)c1[N+](=O)[O-] 302121639 GKEGNBBHPYXVJE-UHFFFAOYSA-N 442.324 4.233 5 20 IIBD O=C(NCC1(c2ccc(Cl)cc2)CCC1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303509579 OJDCPRYPROIPFN-INIZCTEOSA-N 447.944 4.152 5 20 IIBD COc1ccc(NC(=O)c2ccc(Br)cc2Br)c([N+](=O)[O-])c1 318275354 HCBGIYBYYMXASW-UHFFFAOYSA-N 430.052 4.381 5 20 IIBD CCCn1nccc1C1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 409663189 IOMRKZYVQCOLRF-UHFFFAOYSA-N 439.438 4.309 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1 429691257 MDVVQYNMOFQHHH-UHFFFAOYSA-N 435.362 4.060 5 20 IIBD CN(CCc1ccc(Br)cc1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] 430925965 MPELOXLJIYDHEM-UHFFFAOYSA-N 442.107 4.435 5 20 IIBD CC(C)(NC(=O)NCc1ccc(COCC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 431862655 ONVBHQXZISYPTH-UHFFFAOYSA-N 425.407 4.408 5 20 IIBD COc1ccc(CN(C)Cc2cn3c(n2)CCCC3)cc1OCc1ccc([N+](=O)[O-])cc1 432813919 PTLMWBUPMOLCFQ-UHFFFAOYSA-N 436.512 4.347 5 20 IIBD COc1ccc(-c2nnc(Sc3ncc(Cl)cc3[N+](=O)[O-])n2C[C@@H]2CCCO2)cc1 434953104 YZMDDRZKIUPFBP-HNNXBMFYSA-N 447.904 4.241 5 20 IIBD CCOCCOCc1cccc(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1 436108016 WWXARTMMFYNIMP-UHFFFAOYSA-N 448.494 4.304 5 20 IIBD O=C(NC1CCN(CC2CCCC2)CC1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436233219 RKAWRDMJWQETMI-UHFFFAOYSA-N 439.506 4.344 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@@H](C)[C@@H](O)Cc3ccccc3)cc2[N+](=O)[O-])n1 438223176 GAQVHDCNSAHTDG-KSSFIOAISA-N 443.550 4.233 5 20 IIBD Cc1cc(N2CCNC2=O)ccc1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 443033558 FUWNYDKCIPJPNE-UHFFFAOYSA-N 448.429 4.050 5 20 IIBD COc1ccc(CN2CCC(CNC(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CC2)cc1 443963251 SQKRCTRSGOMPIP-UHFFFAOYSA-N 426.517 4.254 5 20 IIBD CCc1[nH]nc(C(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)c(Cl)c2)c1[N+](=O)[O-] 444034425 ULPBQWKKOIKPTI-UHFFFAOYSA-N 433.896 4.191 5 20 IIBD CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 444628016 BVPXEQYOZAXXNI-UHFFFAOYSA-N 429.864 4.039 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2nc3ccccc3n2C(F)F)c([N+](=O)[O-])c1 444663470 OUJLGRUVWJLDMR-RYUDHWBXSA-N 433.415 4.026 5 20 IIBD CN(Cc1nc(CC(=O)Nc2cccc(Cl)c2Cl)no1)c1ccccc1[N+](=O)[O-] 445387991 ZFDAVBUZRXXEHS-UHFFFAOYSA-N 436.255 4.102 5 20 IIBD Cc1nnc2ccc(-c3noc(-c4ccc(NCc5ccccc5)c([N+](=O)[O-])c4)n3)cn12 445633989 DDCMCHCXKHXXIX-UHFFFAOYSA-N 427.424 4.275 5 20 IIBD COc1ccc(CN2CCC[C@@H](c3nccn3C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 446853026 NAKZQVLSXQOREA-HXUWFJFHSA-N 436.512 4.296 5 20 IIBD O=C(NCc1ccccc1)c1ccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 446902026 HPFFPIQLPKFNJC-UHFFFAOYSA-N 430.464 4.115 5 20 IIBD CCNC(=O)Nc1ccc(C)c(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 447268839 XMHSTQGZPRMOMH-UHFFFAOYSA-N 447.300 4.152 5 20 IIBD O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2ccc(Cn3cnc4ccccc43)cc2)n1 447527677 GSNWHVTZAPFNHQ-GGAORHGYSA-N 430.512 4.463 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](c2ccccc2Cl)OC[C@H]1C 460229925 FIGUDYIHOQGNBR-AUUYWEPGSA-N 427.892 4.493 5 20 IIBD COC(=O)c1ccoc1CSc1ccccc1C(=O)NCCc1ccccc1[N+](=O)[O-] 460486222 GOQQNIIKGOIGRF-UHFFFAOYSA-N 440.477 4.239 5 20 IIBD C[C@H]1N(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2Cc2cccs2)CCC12CCOCC2 461321847 KQKXBZHGQUHCQB-MRXNPFEDSA-N 439.541 4.359 5 20 IIBD CCO[C@H]1C[C@H](NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C12CCCCC2 461543180 HRMBRWXCANMXEB-IRXDYDNUSA-N 428.432 4.063 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1 464707976 HPTLWEOUJAWXDH-UHFFFAOYSA-N 427.482 4.479 5 20 IIBD O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1CCC[C@@H](OCCO)C1 467930742 SIXYEGDQHSIGJA-OAHLLOKOSA-N 436.917 4.013 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2 470138609 RGERRIAMBBWFDO-IRXDYDNUSA-N 435.402 4.145 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 470697596 SPPDFXPTYUDFBR-INIZCTEOSA-N 426.231 4.284 5 20 IIBD CCOC(=O)c1c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(OC)cc1OC 471259167 LKGCBGKSKUGWLK-UHFFFAOYSA-N 430.438 4.256 5 20 IIBD CCC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c1 471445798 YOUMEUZAVUJWDE-AWEZNQCLSA-N 435.889 4.146 5 20 IIBD Cc1ccc([C@H](C)NC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-] 474482062 ZJEDKFZFKQSIMF-KRWDZBQOSA-N 433.464 4.303 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC(O)(Cc2cccc(F)c2)CC1 474830128 MHRXTIDMPSCVRK-UHFFFAOYSA-N 441.484 4.067 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1cn2cc(Br)cc(C)c2n1 475581411 OYMWFDFXGNVMKQ-UHFFFAOYSA-N 432.278 4.252 5 20 IIBD O=C1[C@H](Nc2cc(Br)ccc2N2CCCC2)CCN1c1cccc([N+](=O)[O-])c1 477551416 KKJBVQRWFCCTBF-QGZVFWFLSA-N 445.317 4.175 5 20 IIBD CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1Br 478197156 DETWZPACAITDON-KRWDZBQOSA-N 449.301 4.040 5 20 IIBD CCC1(Cc2ccccc2)CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 478305979 QJZXPLWYADBHBH-LJQANCHMSA-N 439.512 4.054 5 20 IIBD COc1cccc(C(NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c2cccc(OC)c2)c1 480333862 XOLOUWUETHVFJN-UHFFFAOYSA-N 435.480 4.238 5 20 IIBD Cc1ccc(-c2cccnc2)cc1NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 484320770 ICDARLWCCIGRJM-UHFFFAOYSA-N 430.464 4.095 5 20 IIBD CCc1cc(N2CC[C@H](C(=O)N(C)c3ccccc3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 485416430 ASLHYCFFECDJFA-SFHVURJKSA-N 431.496 4.104 5 20 IIBD Cn1cc(-c2ncccc2NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cn1 485700009 ZUMXRURQYJYOQY-UHFFFAOYSA-N 429.436 4.222 5 20 IIBD CSc1cccc(C(=O)N2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)c1[N+](=O)[O-] 486466212 JTAVCWIJGOAQIW-INIZCTEOSA-N 442.541 4.299 5 20 IIBD C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 486992056 AVIPHGXANTYSJE-LLVKDONJSA-N 429.329 4.442 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 488277351 DWCIGZIRDJCABK-SFHVURJKSA-N 442.497 4.313 5 20 IIBD COc1c(F)cc(S(=O)(=O)N(C)Cc2ccccc2-c2ccccc2)cc1[N+](=O)[O-] 490757753 LCDBILWWFVUASO-UHFFFAOYSA-N 430.457 4.230 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H]2CCC[C@@H]2OCc2ccccc2)cc1[N+](=O)[O-] 491199699 JLZNVAXXXADUIJ-QUCCMNQESA-N 430.526 4.091 5 20 IIBD Cc1ccc([C@H](C)NC(=O)Nc2ccccc2CN2C[C@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] 493310555 LYSSKQNTWVPYKN-KSZLIROESA-N 426.517 4.395 5 20 IIBD Cc1ccc(Br)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c1 498009825 XCAIIZVSVYEOKZ-UHFFFAOYSA-N 437.218 4.068 5 20 IIBD Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1NC(=O)CN1CCCCC1 498186638 BCBCYUDRULAXDN-UHFFFAOYSA-N 447.495 4.128 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N2C[C@@H](CO)c3ccccc32)cc1[N+](=O)[O-] 498284273 DVJPWRJAPBORAE-INIZCTEOSA-N 448.500 4.284 5 20 IIBD Cc1cnc(O)n1-c1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 501795985 MDPJEUAKKZJMOX-KGLIPLIRSA-N 444.875 4.093 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1C 502562761 XPCZRUNCYQUQAW-UHFFFAOYSA-N 428.558 4.409 5 20 IIBD CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 505604179 DQKOCQWUESFJMI-UHFFFAOYSA-N 441.491 4.478 5 20 IIBD CCCCN(Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 506765669 CIBXYCWYYRMKED-FQEVSTJZSA-N 431.558 4.152 5 20 IIBD CN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccc(Br)cc1Cl 508142096 LSDCWOYREHFWEM-UHFFFAOYSA-N 435.665 4.473 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1nc2ccc(Cl)cn2n1 508332087 OTQKYFXDJJQPPU-UHFFFAOYSA-N 431.783 4.041 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1(Cc2cccc(F)c2)CCOCC1 508651052 VSIKGXQIVDRIBE-AWEZNQCLSA-N 436.867 4.063 5 20 IIBD O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 511374308 YKCPBYBHYCQJHH-UHFFFAOYSA-N 428.452 4.157 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 512136535 DNTQVIKYYPRFHN-KRWDZBQOSA-N 449.492 4.216 5 20 IIBD COc1cc(C(=O)NC[C@@H](C)c2ccc(F)cc2)c([N+](=O)[O-])cc1OCc1cscn1 512811173 BWLXMFJWRWNPQV-CYBMUJFWSA-N 445.472 4.312 5 20 IIBD O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@@H](c2ccc(Br)cc2)C1 516319470 VOZZQSVPPOAJNU-MRXNPFEDSA-N 425.666 4.224 5 20 IIBD C[C@@H](CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)N1CCC[C@@H](C)C1 518758706 GETSRDPYCKFETO-FGTMMUONSA-N 425.533 4.013 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 518788192 RZLQKTNESZRCNI-UHFFFAOYSA-N 440.843 4.303 5 20 IIBD COc1ccc([C@@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)cc1 518826554 ICEIISDEZYBJIY-QFIPXVFZSA-N 439.443 4.210 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccccc1CN(C)C1CCCCC1)c1cccc([N+](=O)[O-])c1 519009696 ODVXJLGWLPXBAP-KRWDZBQOSA-N 438.528 4.175 5 20 IIBD CN1CC[C@@H](CNC(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C1 520339188 GFJQWYLDHGSEGQ-KMTKGMGQSA-N 436.537 4.203 5 20 IIBD Cc1ccccc1COc1c(C)cc(CN(C)C(=O)CCn2cc([N+](=O)[O-])cn2)cc1C 523711747 NOLAKFBHVZFBGX-UHFFFAOYSA-N 436.512 4.344 5 20 IIBD Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 535196752 QFFJGTGNLPPNPN-IBGZPJMESA-N 433.512 4.158 5 20 IIBD CC(C)(C)C1=CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 535461240 VESMVAOYZADQMQ-UHFFFAOYSA-N 443.525 4.214 5 20 IIBD CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCc1ncc(-c2ccccc2C)o1 536016502 DGPQRRQMAWQBQW-UHFFFAOYSA-N 448.435 4.500 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CN[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 537021303 PTDCJHKWOXHWQC-GOSISDBHSA-N 437.418 4.076 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)c1 537383908 FEQKIHWLPQCGMX-OAHLLOKOSA-N 446.809 4.194 5 20 IIBD C[C@@H](NC(=O)N1[C@H]2CC[C@H]1CC(N(C)C(=O)c1ccccc1)C2)c1cccc([N+](=O)[O-])c1 539618981 BFUANFRFBVYGRK-UXPWSPDFSA-N 436.512 4.133 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CC[C@@H](N(C)C)C2)cn1 539642000 KBPNAHWDMURELN-GOSISDBHSA-N 443.573 4.275 5 20 IIBD CCOC(=O)[C@H](c1ccc(Cl)cc1)N(CC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 540099877 AFSXGALQFHISTA-IBGZPJMESA-N 434.876 4.241 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN(CCc2ccccc2)C1 540472196 VJSOYPBIMZWARD-LJQANCHMSA-N 427.570 4.390 5 20 IIBD CCc1ccc([C@H](NCC2(N3CCCCC3)CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 543424010 HTZRUEBCYLASTO-HSZRJFAPSA-N 427.545 4.464 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 543490999 PGFBZQXOADTVFT-NTKDMRAZSA-N 430.479 4.330 5 20 IIBD Cc1c(Br)cc(-c2nc(-c3ccccc3OCCN(C)C)no2)cc1[N+](=O)[O-] 544728674 NSKVDGCHZJNVTB-UHFFFAOYSA-N 447.289 4.323 5 20 IIBD O=C1CCCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 544806464 CUOQKYPPCRTHGH-RTWAWAEBSA-N 440.521 4.346 5 20 IIBD COCCOc1ccc(Cc2noc(-c3csc(-c4ccc([N+](=O)[O-])cc4)n3)n2)cc1 545069869 GZNWTMWLNRXVOJ-UHFFFAOYSA-N 438.465 4.384 5 20 IIBD C[C@@H](C(=O)Nc1cccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c1)n1cccn1 546539233 WGAHBIJSTQOXJQ-AWEZNQCLSA-N 439.447 4.046 5 20 IIBD O=C(NCc1ccc(OCC(F)(F)F)nc1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 548443736 OEVGKIYAIQJZHL-UHFFFAOYSA-N 438.284 4.271 5 20 IIBD CCc1ccc([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCCC(=O)OC)C2)cc1 554409196 LIPAAGXZKIWLRO-GOSISDBHSA-N 442.537 4.442 5 20 IIBD Cc1ccc(-c2cncc(F)c2)cc1NC(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl 558991807 QAHXFSVLNMFQHO-UHFFFAOYSA-N 442.834 4.013 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 561189350 GRENGISUDDVLQD-MCIONIFRSA-N 437.315 4.064 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1F)N(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 561332005 AZSXGPSNZPIQIC-JOCHJYFZSA-N 448.498 4.436 5 20 IIBD Cc1c(Br)cc(-c2nc(-c3ccc(N4CCCC4)cn3)no2)cc1[N+](=O)[O-] 562216910 HJGSZEHMDSNMBC-UHFFFAOYSA-N 430.262 4.378 5 20 IIBD CCOC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)c1cc(OCC)ccc1[N+](=O)[O-] 563459883 WROKGMLFJJXAEE-NRFANRHFSA-N 436.464 4.051 5 20 IIBD O=[N+]([O-])c1cccc(N2CCN(c3nnc(-c4ccccc4)n3Cc3cccs3)CC2)c1 568658900 KTKXDICFODJCQG-UHFFFAOYSA-N 446.536 4.290 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 569012776 IEFPLUYJGLIPRS-UHFFFAOYSA-N 442.785 4.194 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1NS(=O)(=O)c1ccccc1 572818932 LLQZHARNGHQMPF-MRXNPFEDSA-N 439.493 4.446 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(CNc2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)ccc2C)c1 589505301 GYSOEQNZSAXPRK-HOTGVXAUSA-N 439.512 4.420 5 20 IIBD COc1cc(C(=O)NC[C@]2(O)CCC[C@H]2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 590525471 QYENYPLDGQOYIY-LRTDBIEQSA-N 434.876 4.330 5 20 IIBD O=C(c1ccc(Oc2ccc(F)cc2)cc1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 590530221 METVSMUDBLSSPH-UHFFFAOYSA-N 449.438 4.124 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCCN(c4ccccc4)CC3)cc2[N+](=O)[O-])C1 604009019 PUVKIYRKWFROLE-PMACEKPBSA-N 436.556 4.430 5 20 IIBD Cc1c(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)n[nH]c1C(F)(F)F 604498225 ORNCNNKYZKPEPC-LLVKDONJSA-N 434.378 4.466 5 20 IIBD O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 604518907 KOLHRZHGFGINEA-ZDUSSCGKSA-N 444.463 4.253 5 20 IIBD CSc1ccc(C(=O)N2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1[N+](=O)[O-] 604573716 SJAJRRYFNOTOQE-UHFFFAOYSA-N 448.932 4.350 5 20 IIBD Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 609090006 ZKGHGQMPKGWYPL-GOSISDBHSA-N 447.491 4.341 5 20 IIBD CN(Cc1ccccc1Br)C(=O)CCNC/C=C\c1ccccc1[N+](=O)[O-] 609544495 OPKSSZGDVYHYEV-TWGQIWQCSA-N 432.318 4.009 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N[C@H](c1ccc(Cl)cc1)C1CCC1 609762540 ZHERHPMGLIBAAX-IBGZPJMESA-N 436.295 4.289 5 20 IIBD C[C@@H](Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C(=O)NC(=O)NCc1ccccc1 609769625 URDCBRGUUSYNPY-MRXNPFEDSA-N 434.452 4.214 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1nc(-c2ccccc2C(F)(F)F)cs1 609789200 HZJBOBFBMYVVDG-UHFFFAOYSA-N 425.392 4.271 5 20 IIBD O=C(CCCNC(=O)C1CC1)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 609796903 UOKWQBCEIMFEAK-UHFFFAOYSA-N 449.866 4.102 5 20 IIBD C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 609853529 NZRKDQDXNLRHDS-ZDUSSCGKSA-N 430.917 4.377 5 20 IIBD O=C(Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 610069217 DYVBMNNQGICGTB-KRWDZBQOSA-N 428.464 4.177 5 20 IIBD C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 610212251 VWBXHOSWYBCCMO-HNNXBMFYSA-N 427.892 4.105 5 20 IIBD CC(C)(C(=O)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccc(C(F)(F)F)c1 727220045 MWSKZQPDJWSQBE-UHFFFAOYSA-N 436.386 4.024 5 20 IIBD Cc1c(C(=O)Oc2ccc(NC(=O)c3ccsc3)cc2)nnn1-c1cccc([N+](=O)[O-])c1 728888312 RGIXHYMJPYBYCK-UHFFFAOYSA-N 449.448 4.017 5 20 IIBD CN(CC1CCN(Cn2c(=S)oc3ccc([N+](=O)[O-])cc32)CC1)C(=O)OC(C)(C)C 728910712 ISQLVKJTLBSJIE-UHFFFAOYSA-N 436.534 4.408 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 730503630 QDNQXEXINPLNIR-DEOSSOPVSA-N 436.439 4.344 5 20 IIBD CCN(C(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@H](c1ccc(C)cc1)c1cccnc1 732963755 QRPOJOSBDMGMTI-XMMPIXPASA-N 433.464 4.128 5 20 IIBD O=C(COC(=O)c1cc(Cl)nc(Cl)c1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 733511475 IYETZRIUTPHVBA-UHFFFAOYSA-N 438.145 4.111 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)c1[N+](=O)[O-] 734485423 ZDOUGRHAJSLSAS-CQSZACIVSA-N 440.378 4.013 5 20 IIBD CC(=O)Nc1cccc(COC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c1 736863004 HNAJNCVIPYDRQQ-UHFFFAOYSA-N 449.250 4.403 5 20 IIBD CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1Br 739568848 DDGCXEBEMFTBAK-SFHVURJKSA-N 444.326 4.027 5 20 IIBD C[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ncc(-c2ccccc2)o1 741322749 DIOSFZPPQOISQZ-HIFRSBDPSA-N 439.399 4.046 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 742507624 OPVRYIMOKHXXSA-IBGZPJMESA-N 446.548 4.035 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 744437530 KEHPAMLFRIXTGE-UHFFFAOYSA-N 433.512 4.318 5 20 IIBD COc1ccc(COC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1SC(F)(F)F 744577752 YDOVKGFNNKNBPM-UHFFFAOYSA-N 445.371 4.344 5 20 IIBD C[C@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Br)c1 745070505 BOQRIJKWAGYGEI-LBPRGKRZSA-N 435.274 4.205 5 20 IIBD Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 746317025 HPMHBVREGLHVRB-UHFFFAOYSA-N 440.500 4.003 5 20 IIBD O=[N+]([O-])c1cccc(-c2ncn(CN(Cc3cc(Br)ccc3F)C3CC3)n2)c1 746708590 JHTKWFLOSXSXKH-UHFFFAOYSA-N 446.280 4.377 5 20 IIBD C[C@@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)Nc1cccc2ncccc12 747955752 BWWOVVNNJGRAFR-CYBMUJFWSA-N 448.460 4.451 5 20 IIBD O=[N+]([O-])c1cc(Cc2ccccc2)ccc1OS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 748067918 MNVLEGBAMWMEDX-UHFFFAOYSA-N 432.385 4.001 5 20 IIBD Cc1c(C(=O)NCCOc2cccc(Cl)c2Cl)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748629513 FEYAMQCFTQZRCV-UHFFFAOYSA-N 428.228 4.235 5 20 IIBD Cc1nc2ccccc2n1CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 749437494 SKCFHHKGIPMORX-UHFFFAOYSA-N 437.681 4.099 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 749500983 FNVQCUNRZDADGR-JOTOCRJQSA-N 435.883 4.302 5 20 IIBD C[C@H](OC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C(=O)Nc1ccc(N2CCCCC2)cc1 756767405 VRUNFPMLKPCQRL-HNNXBMFYSA-N 436.468 4.250 5 20 IIBD C[C@@H]1CN(c2ccc(NC(=O)COc3ccc([N+](=O)[O-])c4ccccc34)cc2)C[C@@H](C)O1 756880945 GLYNLUHLGCJRQJ-IAGOWNOFSA-N 435.480 4.379 5 20 IIBD COc1cc(Br)c(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc1OC 757205978 HTNXQLDMBUFTRL-UHFFFAOYSA-N 444.669 4.350 5 20 IIBD CCOc1nc(C(F)(F)F)ccc1C(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 758388976 SCTAXPGFZGLNGJ-UHFFFAOYSA-N 437.330 4.419 5 20 IIBD C[C@H](OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)N[C@@H](C)c1cc2ccccc2o1 758732623 QPEWADKVRLVXFA-KBPBESRZSA-N 435.436 4.174 5 20 IIBD COc1ccc(NC(=O)[C@@H](OC(=O)c2ccc([N+](=O)[O-])n2C)c2ccccc2)cc1Cl 761056812 VXFJPPGEVRRWFO-IBGZPJMESA-N 443.843 4.132 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc3ccccc3nc2Br)c1C 762501221 JQKASZBNVDOIFL-UHFFFAOYSA-N 436.287 4.323 5 20 IIBD CC[C@H]1CCCC[C@@H]1OCC(=O)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C 766346496 JXXMBOKFKHFHLT-LPHOPBHVSA-N 430.505 4.367 5 20 IIBD CC[C@H](C)c1ccc(NC(=O)Cc2noc(Cn3ncc4ccc([N+](=O)[O-])cc43)n2)cc1 771061652 PREPUZRPXUWGON-AWEZNQCLSA-N 434.456 4.071 5 20 IIBD C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 772203123 SLJBZMHRRBLSDN-ZFWWWQNUSA-N 446.529 4.236 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N[C@@H]1CCOc2c1ccc(Cl)c2Cl 775013576 WKMNNWSFPYETEC-GFCCVEGCSA-N 436.255 4.101 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(Cc2ccc(Cl)nc2)CC1 776932460 RLAUVQICIGSGTC-UHFFFAOYSA-N 448.976 4.493 5 20 IIBD CC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1cc(F)cc(Br)c1 777012841 QXNUYPNXBBEHIR-OAHLLOKOSA-N 429.217 4.282 5 20 IIBD Cn1c(COC(=O)CSc2ccccc2[N+](=O)[O-])nc2ccc(Br)cc21 777030946 QHKXNTQISIHWIY-UHFFFAOYSA-N 436.287 4.080 5 20 IIBD CSc1cccc(C(=O)O[C@@H](C(=O)N2CCc3sccc3C2)C(C)C)c1[N+](=O)[O-] 777074195 QNVUVWLPNCDASI-GOSISDBHSA-N 434.539 4.145 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1csc(-c2ccc(F)c(F)c2)n1 780131628 ORDHDPYEEWOXSH-UHFFFAOYSA-N 433.392 4.100 5 20 IIBD O=C(NN1CCc2ccccc2C1=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 781064233 FCBZNSVNVNTEFU-UHFFFAOYSA-N 437.839 4.384 5 20 IIBD COc1ccc(C(=O)[C@H](C)OC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1OC 781266972 DGBXTJWBBPYJSJ-AWEZNQCLSA-N 431.444 4.127 5 20 IIBD CC(C)c1nccn1Cc1cccc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 781604591 OWQURBSGIKAZLS-UHFFFAOYSA-N 437.456 4.443 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(-c2ncc3n2CCCC3)cc1 781617263 QBFXXCNTSFCROY-UHFFFAOYSA-N 435.440 4.274 5 20 IIBD O=C(Nc1ccc(OC(=O)C2CCN(C3CC3)CC2)cc1)c1cc([N+](=O)[O-])ccc1Cl 781863099 RWQZNRAXZZZSRI-UHFFFAOYSA-N 443.887 4.280 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)[C@@H]2CCCC[C@H]12 782809374 CZJAQOLDISZIQZ-IPHXSNPTSA-N 444.509 4.013 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)OCc3nnc(C4CC4)n3C3CC3)cc2[N+](=O)[O-])C1 783091908 ZKNNCTYEXSPFHQ-GJZGRUSLSA-N 439.516 4.238 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N(C)C2CCC(C)(C)CC2)cc1[N+](=O)[O-] 784915540 DKBHMJRUVXKZRT-UHFFFAOYSA-N 426.311 4.031 5 20 IIBD COc1cc(COC(=O)[C@H]2CCCc3c(O)cccc32)c([N+](=O)[O-])cc1OCC(F)F 789249106 GBQVUTPFSQOWNG-HNNXBMFYSA-N 437.395 4.116 5 20 IIBD CC(C)[C@@H](NC(=O)OC(C)(C)C)c1noc(-c2cc([N+](=O)[O-])ccc2N2CCCC2)n1 789766577 ZIMKSYSFPUDRPV-QGZVFWFLSA-N 431.493 4.467 5 20 IIBD COc1cc(COC(=O)CSc2ccc(F)c(F)c2)c([N+](=O)[O-])cc1OC(F)F 791437266 JWUSWGNGMWOSAD-UHFFFAOYSA-N 435.351 4.319 5 20 IIBD COC1(CC(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCC1 791514850 VXQJDMIACPMWMQ-LJQANCHMSA-N 432.860 4.430 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)O[C@@H](C)C(=O)c1cc(C)n(Cc2ccco2)c1C 795710009 TVWBKCIKWHXYJG-INIZCTEOSA-N 440.452 4.481 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccnc(-c3ccc(Cl)cc3)n2)cccc1[N+](=O)[O-] 805657211 CDESXVMCEOTYFM-CYBMUJFWSA-N 440.843 4.198 5 20 IIBD CC(C)Oc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)N(C)C)cc1 808086332 AVBKXMJXZOGIDH-OAQYLSRUSA-N 428.489 4.053 5 20 IIBD O=C(Nc1cncc(Cl)c1Br)c1cc([N+](=O)[O-])ccc1Br 808873261 KSIVNOXITWPFIE-UHFFFAOYSA-N 435.459 4.421 5 20 IIBD COc1cc(Cc2noc([C@H]3CCCCN3C(=O)OC(C)(C)C)n2)c([N+](=O)[O-])c(OC)c1 809489291 BXMGGCNPIMHVFZ-OAHLLOKOSA-N 448.476 4.048 5 20 IIBD CC(C)CC[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810360041 BVQZJAKPHMRMKZ-SWLSCSKDSA-N 426.311 4.017 5 20 IIBD O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCCN(CC(F)(F)F)C1 811214728 GCSSFCMABQYURN-CYBMUJFWSA-N 429.420 4.036 5 20 IIBD COc1ccc([C@H](O)C2CCN(Cc3ccc(Br)c([N+](=O)[O-])c3)CC2)cc1 812774359 LOKQCLTYESLVAO-FQEVSTJZSA-N 435.318 4.312 5 20 IIBD CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 812830076 DMMMWQGFFFIWPR-UHFFFAOYSA-N 426.256 4.011 5 20 IIBD CN(CCc1cccc(Br)c1)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 813319916 JSMLQADBXHGPOY-UHFFFAOYSA-N 442.107 4.435 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)c2ccc(C(F)(F)F)nc2Cl)c1C 815051321 MZRAPWVLKBVWBA-JTQLQIEISA-N 437.827 4.318 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)OCc1nc(-c2cccc(C(F)(F)F)c2)no1 821708271 GLTNAZVBBITHMQ-UHFFFAOYSA-N 439.371 4.499 5 20 IIBD CC(C)(C)OC(=O)N1CCc2nc(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)sc2C1 880659787 RQWOEMQFMNQUBH-UHFFFAOYSA-N 443.485 4.078 5 20 IIBD O=C1/C(=C\Nc2ncc([N+](=O)[O-])s2)c2ccccc2C(=O)N1c1ccccc1Cl 912745047 RRILYRMVBBWFTL-LCYFTJDESA-N 426.841 4.345 5 20 IIBD CCC[C@H](C(=O)Oc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-])c1ccccc1 916959380 JKICKKCTPLDQNQ-SFHVURJKSA-N 434.514 4.115 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(OC(=O)c2occc2-c2ccccc2)c([N+](=O)[O-])c1 916959955 RGLYNBPSJMSGQB-UHFFFAOYSA-N 444.465 4.105 5 20 IIBD C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 919442691 DMFVUIPQDUMKBQ-MNOVXSKESA-N 427.240 4.239 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)CCSCc1ccccn1 920080461 RGZVJLFLYUTVAW-UHFFFAOYSA-N 441.513 4.100 5 20 IIBD C[C@H](OC(=O)c1c(O)cccc1Cl)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 920730806 CIBWJPUCHGRMAD-JTQLQIEISA-N 447.856 4.261 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@@H](c2ccc(Cl)s2)C1 1116316733 LGGKLHDKDPXANT-GFCCVEGCSA-N 437.326 4.034 5 20 IIBD CC(C)(C)OC(=O)Nc1cc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])ccc1F 1321742738 DKNGKCLGAXGDCH-UHFFFAOYSA-N 429.401 4.021 5 20 IIBD Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 1340584628 YMHWHJGKLYDLLX-UHFFFAOYSA-N 439.815 4.056 5 20 IIBD COc1ccc(NC(=O)Nc2cccc(I)c2C)cc1[N+](=O)[O-] 1342145377 HMPOFXLAAMXRQO-UHFFFAOYSA-N 427.198 4.160 5 20 IIBD CC(C)c1[nH]nc(C(=O)NCCSc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-] 1347436240 JGQOAMABHZLTBA-UHFFFAOYSA-N 437.831 4.031 5 20 IIBD O=C(/C=C/C1CC1)Nc1ccc(C2(NC(=O)c3cc([N+](=O)[O-])cc4c3OCC4)CCC2)cc1 1786158774 NEEXWQJCFZSPLZ-RUDMXATFSA-N 447.491 4.244 5 20 IIBD C[C@H]1C[C@@]1(C)C(=O)Nc1ccc(C2(NC(=O)c3cc([N+](=O)[O-])cc4c3OCC4)CCC2)cc1 1790427317 PLWDOFULYOKAQI-IZHWHUGBSA-N 449.507 4.324 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2ccccc2o1 1797488102 CFZCJYMYTBJGTB-JLYJBUFASA-N 445.475 4.306 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)c(F)c1)c1cccc(F)c1[N+](=O)[O-] 1800336624 KTDAODBWHWOTJU-BTTYYORXSA-N 449.841 4.092 5 20 IIBD C[C@H]1C[C@@]1(C)C(=O)N1CCC2(CCCN(C(=O)Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 1805485167 SQTSBNSWWNRVAU-KSFYIVLOSA-N 447.963 4.068 5 20 IIBD CC(C)=CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(O)c([N+](=O)[O-])c2)[nH]n1 1820803460 AROJCMAJIWCBMH-QGZVFWFLSA-N 441.488 4.076 5 20 IIBD CC/C=C(\C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2F)[nH]n1 1823096761 CSYAULOHKUTRNA-HOWNQORCSA-N 443.479 4.048 5 20 IIBD O=C([C@H]1CC=CCC1)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1824275588 BHNMVIPYBJKZDB-BRFNVVFKSA-N 441.528 4.177 5 20 IIBD CC1=CC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)CC1 1828343582 IDUFSIWMFVDTOG-OALUTQOASA-N 429.517 4.168 5 20 IIBD Cc1cc(F)cc(C(=O)N2CC3(CCCN3C(=O)c3cc(Cl)cc([N+](=O)[O-])c3C)C2)c1 1845499822 MEBBSAZKTLEYJH-UHFFFAOYSA-N 445.878 4.135 5 20 IIBD O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCN(Cc2csc(-c3ccccc3)n2)CC1 10221100 QZMNKDXAGJZLQJ-UHFFFAOYSA-N 442.928 4.330 5 20 IIBD CC(C)(C)c1cc(NC(=O)COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)n(-c2ccccc2)n1 10758983 MGZVEXVRSIMTER-SDNWHVSQSA-N 448.479 4.273 5 20 IIBD Cc1cc(Br)ccc1NC(=O)COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 11025468 XKTLVBYSFKJLJU-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc1[N+](=O)[O-] 15409697 FFEUSRPAJFAGNZ-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD Cc1cc(=O)c(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)nn1-c1ccccc1[N+](=O)[O-] 16059407 ANNIEQPODGFBHO-UHFFFAOYSA-N 438.443 4.273 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)CCCc1ccc(Br)s1 16257139 RZMNMDOZPOSZMF-UHFFFAOYSA-N 441.303 4.232 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2cc(Cl)ccc2C)cc1OC 18803326 KVBKDNRHUCVNRW-GFCCVEGCSA-N 436.848 4.148 5 20 IIBD C[C@@H](OC(=O)c1ccc(COc2ccc(F)cc2)o1)C(=O)Nc1cccc([N+](=O)[O-])c1 24462955 PGQZADOTCWCXLH-CYBMUJFWSA-N 428.372 4.090 5 20 IIBD CCOc1cc(C(=O)N[C@@H](C)c2ccc(OC(C)C)c(OC)c2)c([N+](=O)[O-])cc1OC 26943366 MLPVTZFWQOYIMH-AWEZNQCLSA-N 432.473 4.289 5 20 IIBD Cc1ccccc1CN(C)C(=O)[C@@H](C)OC(=O)Cn1c2ccccc2c(=O)c2ccccc21 28775123 MSMXBXVFAPKDMN-LJQANCHMSA-N 442.515 4.053 5 20 IIBD COc1ccc([C@H]2CCCN2C(=O)CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(OC)c1 64350826 BGYNTEXXIBEYLK-JOCHJYFZSA-N 441.528 4.186 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ccncc3)cc2)cc1OC 65023206 DFQIOWBHGWYUHS-UHFFFAOYSA-N 439.424 4.068 5 20 IIBD CN(CC(=O)Nc1c(F)cc(F)cc1Br)Cc1cc([N+](=O)[O-])ccc1Cl 96995563 ROYSSQMIVXULCB-UHFFFAOYSA-N 448.651 4.359 5 20 IIBD CCN(C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(Br)cn1 110324278 GMXMLTKPCDTNBY-UHFFFAOYSA-N 440.319 4.047 5 20 IIBD CN(C[C@@H]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C 110456608 HEEMBOOBJYIYOD-ZDUSSCGKSA-N 428.327 4.441 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 110900526 XBMFMUFRBSXMEJ-UHFFFAOYSA-N 433.445 4.126 5 20 IIBD CC(C)(C)c1nc(CCNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cs1 426248867 COTQUNDSTPGWSX-UHFFFAOYSA-N 430.452 4.410 5 20 IIBD COc1cccc(C(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)c1[N+](=O)[O-] 435878018 XEIGBKKPINBFPZ-UHFFFAOYSA-N 442.475 4.445 5 20 IIBD COc1ccc(NC(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C(C)C)cc1[N+](=O)[O-] 437255363 BHYCMZIHOKGKLR-UHFFFAOYSA-N 440.283 4.286 5 20 IIBD CC(C)CNC(=O)N1CCC[C@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)C1 440605703 NTWGEBIDSOJEEJ-FQEVSTJZSA-N 438.528 4.206 5 20 IIBD CCCOc1cc(NC(=O)C(=O)Nc2ccc3ccoc3c2)c([N+](=O)[O-])cc1OCCC 443648592 NKACBLBBPQSGIC-UHFFFAOYSA-N 441.440 4.496 5 20 IIBD COc1cccc(-c2noc([C@H](C)NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)n2)c1 444111940 KTGHSPWBDLPKLV-AWEZNQCLSA-N 440.459 4.231 5 20 IIBD Cc1ccc(Cn2cccc(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)c2=O)cc1 444237388 JLIGSKSTRPYEFO-UHFFFAOYSA-N 435.483 4.452 5 20 IIBD CC(C)(O)CN1CCc2c(cccc2NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 444294168 MQCZSQFHYRVDMA-UHFFFAOYSA-N 441.531 4.063 5 20 IIBD CC(C)C[C@@H](CNC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N[C@H](C)c1ccccc1 445220457 UROWDBJZJPOXNA-AEFFLSMTSA-N 438.532 4.036 5 20 IIBD C[C@H](NC(=O)Cc1noc([C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n1)c1ccccc1 445306621 ZGHXOUUNKSSERY-STQMWFEESA-N 430.848 4.191 5 20 IIBD C[C@H](CCc1cccn1C)NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 460452517 SQNZOPUMDVUJOD-GFCCVEGCSA-N 436.299 4.177 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NC[C@@H](OC)c2ccccc2)c([N+](=O)[O-])c1 462778933 QFQBQTDFMSVDQR-JOCHJYFZSA-N 434.448 4.412 5 20 IIBD COC(=O)[C@@H](CC(F)(F)F)NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 463095842 QZCZIHJMFOGQBY-CYBMUJFWSA-N 446.765 4.264 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ccc(OCc2ccccc2F)cc1 465176637 UQTMCLYORQERLM-UHFFFAOYSA-N 438.411 4.265 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2CC(=O)OC(C)(C)C)cc1OC 467124352 GVSLJTQWJHDTNT-UHFFFAOYSA-N 430.457 4.139 5 20 IIBD C[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)cn1 474669083 PJIQXZWOCWDSQL-SNVBAGLBSA-N 427.686 4.009 5 20 IIBD COc1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3F)n2C[C@H]2CCCO2)cc1 476473573 VJNWPFWGJMHYTM-GOSISDBHSA-N 444.488 4.472 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCCc2nn(C)c3ccccc23)cc1[N+](=O)[O-])c1ccccn1 476825606 JNWBTALHIMHQJL-INIZCTEOSA-N 444.495 4.022 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC=C(c2ccccc2C(F)(F)F)CC1 478015593 JUDUHFWLIMLLIC-UHFFFAOYSA-N 435.402 4.350 5 20 IIBD Cc1c(CSC(C)C)cccc1NC(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 478164424 HHLBZPCBDFILPI-UHFFFAOYSA-N 449.960 4.496 5 20 IIBD O=C(NCc1cc(Oc2ccc(F)cc2)ccn1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 479667498 QSZBAGWGFOCMGZ-UHFFFAOYSA-N 433.399 4.037 5 20 IIBD CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 479760960 ZHLWNUGKBSVBLV-RBZFPXEDSA-N 428.876 4.155 5 20 IIBD Cc1ccccc1-c1noc([C@H](C)N2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)n1 481193198 SDARWOXHSKFVDX-INIZCTEOSA-N 447.499 4.103 5 20 IIBD O=C(NC[C@H](O)COc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 484339903 XVGWQTONJOBYHE-KRWDZBQOSA-N 442.468 4.055 5 20 IIBD O=C(NC[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1)c1cc([N+](=O)[O-])c[nH]1 484591300 JZOBPEZBFGQWMG-GOSISDBHSA-N 430.917 4.167 5 20 IIBD CCOC(=O)c1cnn(-c2cccc(NC(=O)c3cccc(SC)c3[N+](=O)[O-])c2)c1C 485761784 YSHXPZUATIRWQP-UHFFFAOYSA-N 440.481 4.240 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 485847008 QONDMOLVLNUZDX-HDICACEKSA-N 449.617 4.304 5 20 IIBD COC(=O)c1cc(C(=O)Nc2c(C)c(C)nn2-c2ccc(Cl)cc2)cc([N+](=O)[O-])c1 485850781 OGXQPUFLBCVARO-UHFFFAOYSA-N 428.832 4.090 5 20 IIBD CC[C@@H](NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1cc(F)cc(Br)c1 485851222 VFJNBLULVRUGNB-OAHLLOKOSA-N 440.269 4.184 5 20 IIBD C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 486672473 QZLSMHKZUARPCN-ZDUSSCGKSA-N 433.892 4.416 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cccc(OCCN(C)C)c3)cc2[N+](=O)[O-])C1 487938713 ACZJKAGUSBZGKG-HDICACEKSA-N 440.544 4.270 5 20 IIBD Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 490150597 ZJFDJAXEZZCLAZ-UHFFFAOYSA-N 439.390 4.235 5 20 IIBD Cc1cc(S(=O)(=O)N2C[C@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)ccc1[N+](=O)[O-] 490455277 LEPXEKIIKPXPLO-UGSOOPFHSA-N 444.431 4.073 5 20 IIBD CC[C@H](NCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 492122325 LONVSFHVRQMXCE-HNNXBMFYSA-N 438.427 4.259 5 20 IIBD CCCc1[nH]nc(C(=O)N[C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1[N+](=O)[O-] 497830293 APNBNADXUMFTQU-CYBMUJFWSA-N 439.447 4.153 5 20 IIBD O=C(Nc1cc2c(cc1Cl)OCCO2)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 497853034 NPEOSYONBMNORF-UHFFFAOYSA-N 432.738 4.213 5 20 IIBD CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] 498125865 QMNYZZMQARYQMT-YOFSQIOKSA-N 435.524 4.167 5 20 IIBD COc1cc(C(=O)NCCOc2cccc(C(C)(C)C)c2)c([N+](=O)[O-])cc1OC(F)F 504166657 OVLGEHGSKKHAJH-UHFFFAOYSA-N 438.427 4.311 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(-c3ccc(Cl)c(S(=O)(=O)N4CCCCC4)c3)n2)c1 504996267 MLRKJBVCOASVHD-UHFFFAOYSA-N 448.888 4.140 5 20 IIBD COc1ccc(CN2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn34)C2)cc1[N+](=O)[O-] 506141138 PWEUAMAEVUZLPO-CQSZACIVSA-N 435.406 4.045 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 506389587 RJSYUJDIGBHTRI-UHFFFAOYSA-N 432.461 4.126 5 20 IIBD CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)c1cc(F)cc([N+](=O)[O-])c1N 506565382 YZISNPGPRDLLSI-UHFFFAOYSA-N 426.448 4.456 5 20 IIBD COc1cccc(-c2nc(C[S@@](=O)CCC(=O)Nc3ccccc3[N+](=O)[O-])cs2)c1 507708878 PAVNTYVAUJXJGL-PMERELPUSA-N 445.522 4.004 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cnc(-c2ccco2)s1 508287850 XMGYZIWBEDAXHV-UHFFFAOYSA-N 426.376 4.172 5 20 IIBD O=C(Cn1c(-c2ccc([N+](=O)[O-])cc2)noc1=O)Nc1ccccc1Sc1ccccc1 509072055 ZCVGEIJCPLMTBN-UHFFFAOYSA-N 448.460 4.201 5 20 IIBD CCN1CCC[C@@H](CN(C)c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)[C@@H]1c1cnn(C)c1 509599524 GKSAPXBVWWKCOB-YADARESESA-N 434.544 4.300 5 20 IIBD CCC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(N2CCCC2)c1 510038756 HFIMZWNUFQTDJL-HXUWFJFHSA-N 425.489 4.124 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1 510825451 NJCONMYINOHACL-HNNXBMFYSA-N 437.399 4.401 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1 511853544 CFUISYLSDVCRLD-UHFFFAOYSA-N 437.930 4.467 5 20 IIBD COc1ccc(Cl)cc1-c1cc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)n[nH]1 512847778 ZXBUXNBIPIFECA-UHFFFAOYSA-N 438.831 4.085 5 20 IIBD CCc1nc(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)nn1-c1c(Cl)cccc1Cl 513008320 DUJBFZYSYFNTDU-UHFFFAOYSA-N 448.310 4.359 5 20 IIBD C[C@H]1C[C@H]1c1ccc(CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C2CC2)o1 518112299 NPOUHZOLJHOTRG-XHDPSFHLSA-N 449.410 4.042 5 20 IIBD Cc1nn(-c2ccccc2)cc1CCCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 518827433 RWOXOZPDPAWWLH-UHFFFAOYSA-N 442.903 4.260 5 20 IIBD Cc1nn(CCC(=O)N[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)c(C)c1[N+](=O)[O-] 519133201 QBZNKRQIFIBHNU-MRXNPFEDSA-N 443.504 4.255 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N(Cc1cccc(F)c1)C[C@H]1CCCO1 522639830 FJHPKIYXCJYTHX-GOSISDBHSA-N 436.867 4.364 5 20 IIBD Cc1cccc(COc2c(C)cc(CN(C)C(=O)CCn3cc([N+](=O)[O-])cn3)cc2C)c1 524507521 DTNHYFDFMJIBLT-UHFFFAOYSA-N 436.512 4.344 5 20 IIBD COc1cc([C@@H](C)NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)ccc1OCC(C)C 525559875 OSIHDQCKKAACDB-CQSZACIVSA-N 432.473 4.146 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N(Cc1ccccc1)C[C@H]1CCCO1 531503066 CULIHJBMJZXFRN-GOSISDBHSA-N 433.302 4.108 5 20 IIBD Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 533516758 IJSMTPPZPXBNHY-GBXCKJPGSA-N 445.523 4.473 5 20 IIBD C[C@@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 535205327 ICNQVFWNJDXGDQ-FCJAZMSBSA-N 443.447 4.030 5 20 IIBD COc1ccccc1COC1CCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])CC1 537699715 ZOPFLBVHKNELIN-UHFFFAOYSA-N 446.525 4.155 5 20 IIBD C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 537943074 ABRKUFVJCIMBKT-RQVMVGKASA-N 448.926 4.387 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 538244950 XLTQBTWWYXYUNK-CPJSRVTESA-N 432.907 4.455 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)sc1Br 538453738 GKPOSMHLAYAMLY-UHFFFAOYSA-N 428.289 4.076 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N[C@H]2CCO[C@H](C(C)C)C2)c([N+](=O)[O-])c1 540038113 QFVBJJMOSBNCCN-KKSFZXQISA-N 426.469 4.228 5 20 IIBD CS(=O)(=O)Nc1cc(F)ccc1NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 540250753 RSPFMGSJICGLLD-UHFFFAOYSA-N 444.444 4.101 5 20 IIBD Cc1cccc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1F 540589481 YZTOYNLFVPRSBA-UHFFFAOYSA-N 426.370 4.415 5 20 IIBD Cc1c(NC(=O)[C@@H](C)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cccc1[N+](=O)[O-] 542016413 BZVRWFWPNZLUQQ-KUHUBIRLSA-N 437.418 4.323 5 20 IIBD CC(=O)NC1CCC(N(C)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 543392954 KIXVBKYBUHKVGX-UHFFFAOYSA-N 447.539 4.327 5 20 IIBD COC1CCC(CCNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 543493025 XTWWIPDFQNYFDM-LRYGQEGESA-N 426.517 4.488 5 20 IIBD O=C(Nc1ccccc1)C1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 544052690 CMYFEMFWHBCUOE-UHFFFAOYSA-N 433.917 4.218 5 20 IIBD C[C@@]1(c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)CCCN(C(=O)c2ccccc2)C1 546559020 JTBXYVPRYPGNFF-XMMPIXPASA-N 445.479 4.244 5 20 IIBD COc1cc(C(=O)NCC2(c3ccccc3OC)CCC2)c([N+](=O)[O-])cc1OC(F)F 546842755 XBECUVCWGWGFPO-UHFFFAOYSA-N 436.411 4.065 5 20 IIBD CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 549376197 WHCDHMIVLDGNKO-UHFFFAOYSA-N 443.511 4.056 5 20 IIBD Cc1c(CNC(=O)C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 550439303 QJPBLAPPKUHNMG-OAQYLSRUSA-N 437.883 4.079 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)N2CCC=C(c3ccco3)C2)cc1[N+](=O)[O-] 553038524 HOAMAXMBHHKHNL-UHFFFAOYSA-N 445.475 4.414 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1 553110881 QBOZRMBOXLXMHI-KSSFIOAISA-N 446.529 4.106 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 554031857 OVSHCYKUPUSFPS-CYBMUJFWSA-N 447.479 4.159 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)CCc1nc(-c2ccccc2)no1 557090807 IMXLOMJTRYUCLL-UHFFFAOYSA-N 445.273 4.030 5 20 IIBD CCOC(=O)C(C)(C)C1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC1 557696622 VGRAWFCOPUMPBM-UHFFFAOYSA-N 439.381 4.450 5 20 IIBD CCOc1cc(NC(=O)Nc2cnn(C)c2-c2ccccc2)c([N+](=O)[O-])cc1OCC 558245212 GKLIKJSCEIPRRB-UHFFFAOYSA-N 425.445 4.437 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])c1nnc(CCCc2cccs2)n1C[C@@H]1CCOC1 559220656 NCYKGDKLFTZAJS-KRWDZBQOSA-N 441.557 4.096 5 20 IIBD Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 560877632 JBNJFKJBYZOTHU-LPHOPBHVSA-N 442.859 4.034 5 20 IIBD C[C@H](NC(=O)N[C@@](C)(C(=O)O)c1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 562415852 QKAHGFXWVZMKMR-XTZNXHDOSA-N 426.256 4.262 5 20 IIBD COC(=O)CCN(C(=O)c1cc([N+](=O)[O-])cc(Br)c1C)c1ccccc1C 563697262 NGETZEKBCHODBB-UHFFFAOYSA-N 435.274 4.184 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)c1N1CCOCC1 567788957 ZHXNXYMPWSECHF-UHFFFAOYSA-N 436.346 4.047 5 20 IIBD CCOc1ccccc1OCC(=O)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 572611643 KPLWOBICIQQDSP-UHFFFAOYSA-N 448.435 4.457 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(c2noc3cc(F)ccc23)CC1 578060359 QQRPCHFOHASSEV-UHFFFAOYSA-N 426.448 4.392 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3ccc(Br)c(OC(F)(F)F)c3)n2)nc1 582326893 ZIUGIBBSFCGDNI-UHFFFAOYSA-N 445.151 4.292 5 20 IIBD CCOc1cc(NC(=O)N2CCN(c3ccccc3Cl)CC2)c([N+](=O)[O-])cc1OCC 603651574 TZSDRSJLRSQVDN-UHFFFAOYSA-N 448.907 4.400 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)c([N+](=O)[O-])cc1OC 603757672 SQXGGWWCLSPOOV-UHFFFAOYSA-N 447.875 4.144 5 20 IIBD CCCCc1c(C)nc2nc(S[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)nn2c1C 603918465 YGSFZEGIFMQOCW-CQSZACIVSA-N 428.518 4.111 5 20 IIBD COc1ccc(NC(=O)CNc2cccc(NC(=O)c3ccccc3)c2C)c([N+](=O)[O-])c1 604010752 WFQCNIHNBVZZSY-UHFFFAOYSA-N 434.452 4.215 5 20 IIBD COc1ccc(CNC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] 604105397 QXXBYZFFGVUXTO-QWRGUYRKSA-N 443.344 4.312 5 20 IIBD C[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)c1cccc([N+](=O)[O-])c1 604107868 DVOKSSIOXOTYOG-CQSZACIVSA-N 443.456 4.026 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(Cc1ccccc1)Cc1ccccc1F 608878373 AHONPEGYBOCELH-KRWDZBQOSA-N 435.455 4.081 5 20 IIBD Cc1ccc(Cc2cnc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)s2)cc1C 608937936 OSXRSVIXGCHJIY-UHFFFAOYSA-N 425.466 4.282 5 20 IIBD COc1ccccc1[C@H]1CCCCN1C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 609262975 DEKVNHAWQNUTRN-GOSISDBHSA-N 439.468 4.045 5 20 IIBD COc1cc([C@H](C)NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)ccc1OCC(C)C 609489964 COUJXUCGHLDRBR-AWEZNQCLSA-N 439.468 4.383 5 20 IIBD O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F 610117315 QBXXSFWNSUEAML-UHFFFAOYSA-N 442.341 4.493 5 20 IIBD COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 610159922 SRBXSWAUAHCTCR-MRXNPFEDSA-N 432.904 4.289 5 20 IIBD COc1cccc([C@@H](NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)c2ccccc2Cl)c1 610180744 AFLLLNUVVMJVHX-OAQYLSRUSA-N 442.903 4.366 5 20 IIBD COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc2c(c1)c1ccccc1n2C 611278362 LKTXTBODDXEAME-UHFFFAOYSA-N 425.466 4.187 5 20 IIBD O=C(NCc1ccc(Cl)cn1)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 611435715 YWYDYJKWTRUHDA-UHFFFAOYSA-N 448.913 4.111 5 20 IIBD COc1cc(CN2CCC([C@@H]3CCOC3)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 612402139 NJNZVSAANMPTSE-HXUWFJFHSA-N 426.513 4.431 5 20 IIBD O=[N+]([O-])c1cc2c(cc1CNCc1nc3c(s1)C[C@@H](c1ccccc1)CC3)OCCO2 613417877 YFGOPUBDCHFTPY-INIZCTEOSA-N 437.521 4.385 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnc(C(F)(F)F)cc1OC 616711345 QMVOOZRSBSRWBD-UHFFFAOYSA-N 431.392 4.008 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)c1sc(-c2ccccc2)nc1C 619478369 FLXAQHDTZXTPAD-ZDUSSCGKSA-N 433.511 4.075 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 619478707 MSIWGWHPDWNXOI-KRWDZBQOSA-N 438.914 4.386 5 20 IIBD COC(=O)c1cc(NC(=O)N2CC[C@@](F)(c3cccc(Cl)c3)C2)c(C)c([N+](=O)[O-])c1 619800997 WCDPWMWRZHDZLD-FQEVSTJZSA-N 435.839 4.446 5 20 IIBD Cc1c(NC(=O)[C@@H](C)N2CCO[C@@H](c3ccccc3Br)C2)cccc1[N+](=O)[O-] 725809161 PANXBHHUAPEEQX-AUUYWEPGSA-N 448.317 4.066 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNC[C@@H](O)c2cccc(F)c2)cc1 726607200 SGLNDSOUPWTBJO-HSZRJFAPSA-N 432.455 4.410 5 20 IIBD CNc1ccc(C(=O)Nc2ccc(NC(=O)CN3CCCCCCC3)cc2)cc1[N+](=O)[O-] 727396676 JFPLEFHYIFUDJQ-UHFFFAOYSA-N 439.516 4.093 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1cc(C)cc([N+](=O)[O-])c1N)c1ccccc1 727901007 RTIZHSSSHANAIP-JOCHJYFZSA-N 449.463 4.339 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)NCc3nnc(S)n3C(C)C)cc2[N+](=O)[O-])cc1 731229425 WWEBHFZSNBHMKT-UHFFFAOYSA-N 443.554 4.446 5 20 IIBD COc1ccc(CN(C(=O)COc2ccc([N+](=O)[O-])cc2)c2ccc3nc(C)[nH]c3c2)cc1 731995154 VOLGFGSJZGJKQM-UHFFFAOYSA-N 446.463 4.400 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 734780528 IXEMZBYIUUQZHM-MRXNPFEDSA-N 441.292 4.160 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(OC(=O)C[C@@H](C)c2ccccc2C)c([N+](=O)[O-])c1 734966278 XIWQEPSLBISWID-MRXNPFEDSA-N 434.514 4.033 5 20 IIBD O=C(COC(=O)c1csc(Cc2ccccc2F)n1)Nc1ccc(Cl)c([N+](=O)[O-])c1 735557587 KKZXMRYQZSECCC-UHFFFAOYSA-N 449.847 4.230 5 20 IIBD C[C@@H](NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1csc2ccccc12 740914016 PBWFWOLFUPWMEC-OAHLLOKOSA-N 438.509 4.038 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@@H](CC(C)C)c1ccc(Cl)cc1 741702679 ILVGMQJVANXMAF-KRWDZBQOSA-N 434.876 4.352 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cccc(Cl)c3C(N)=O)cc2[N+](=O)[O-])C1 742832312 NXFPBYDIAJLIFL-BETUJISGSA-N 430.892 4.082 5 20 IIBD CC(C)C(=O)Nc1ccc(Cl)c(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 745187167 VEYPHIXCFOAPJR-UHFFFAOYSA-N 444.831 4.250 5 20 IIBD O=C(COC(=O)[C@@H]1SCCc2sccc21)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 745635978 KJASATHORJAFHA-OAHLLOKOSA-N 446.428 4.187 5 20 IIBD O=C(CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)N[C@H]1CCCS(=O)(=O)C1 746250036 NAWXTQDLWCRWCQ-IBGZPJMESA-N 433.529 4.240 5 20 IIBD C[C@@H](OC(=O)c1cnn(-c2ccccc2Cl)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 747506393 RUUCSMMIPLMQFK-GFCCVEGCSA-N 439.815 4.402 5 20 IIBD CCc1ccccc1NC(=O)[C@H](C)OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 747956285 GGCZCCNNZMUBKX-ZDUSSCGKSA-N 425.466 4.465 5 20 IIBD CCC[C@@H](NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)c1ccccc1 748953018 ZSXIHSOPNCCXDX-MAUKXSAKSA-N 443.456 4.323 5 20 IIBD C[C@@H](NC(=O)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2)c1cccc(Cl)c1Cl 751278268 YIULMADVVIUNEL-MRVPVSSYSA-N 442.211 4.072 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCc2cccc(SC(=O)N(C)C)c2)cc1SC 752548231 UELUVDSHRUUCTA-UHFFFAOYSA-N 436.511 4.456 5 20 IIBD COc1cc(N)c([N+](=O)[O-])cc1C(=O)O[C@@H](c1ccccc1)c1nc(-c2ccccc2)no1 753455918 WSTHGRQZEPYLHN-FQEVSTJZSA-N 446.419 4.182 5 20 IIBD C[C@H](SCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 753943490 IOEZXDOALHTKCM-HNNXBMFYSA-N 439.493 4.378 5 20 IIBD Cc1noc(C)c1[C@@H](C)CC(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 754294023 XZQUZXATGAAJPU-CABZTGNLSA-N 443.378 4.282 5 20 IIBD C[C@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[C@@H](O)c1c(F)cccc1Cl 755027831 BZYRXYMMMNLGMD-VXJOIVPMSA-N 446.660 4.393 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)c(OS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 755279326 JCFXRMURZIMWNC-UHFFFAOYSA-N 426.422 4.157 5 20 IIBD CCOc1cc(COC(=O)CCc2c(C)c3ccc(OC)cc3oc2=O)ccc1[N+](=O)[O-] 755510602 MIUNPJDTIVTBSM-UHFFFAOYSA-N 441.436 4.093 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)OCc1coc(-c2ccc(C(F)(F)F)cc2)n1 756172987 BTBPCZGNLSQYLS-UHFFFAOYSA-N 446.341 4.362 5 20 IIBD C[C@H](CSc1ccc(F)cc1)C(=O)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 756716687 PDFSVADPPGYCNH-CYBMUJFWSA-N 434.445 4.004 5 20 IIBD CCC(=O)c1cc(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])ccc1F 756889857 PVVDIJKMCIMCCY-SFHVURJKSA-N 430.432 4.139 5 20 IIBD COc1ccc(-c2cncc(C(=O)OCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c2)cc1 758102886 SEHPFUSZXLFUMB-UHFFFAOYSA-N 432.392 4.072 5 20 IIBD C=CC(=O)Nc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)ccc1F 758285581 BGDHOCCFDBHPRB-UHFFFAOYSA-N 426.173 4.012 5 20 IIBD C[C@H](OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)Nc1cccc(Cl)c1Cl 758736336 HYFQDWRDGDUYMY-JTQLQIEISA-N 436.251 4.496 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cnc(Cl)c(Br)c2)cc1OC 759157615 ODMVPUJNYSQSDG-UHFFFAOYSA-N 430.642 4.065 5 20 IIBD C[C@@H](OC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 761488801 BEWLJGIQYVETEX-IAGOWNOFSA-N 446.459 4.500 5 20 IIBD O=[N+]([O-])c1ccc(I)c(-c2nc(-c3ccc4[nH]ccc4c3)no2)c1 761575040 FJWVGUAIJRTOQP-UHFFFAOYSA-N 432.177 4.398 5 20 IIBD COc1ccc(Cc2noc([C@@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)n2)cc1OC(F)F 761793296 MLRQLICVFTWODL-KRWDZBQOSA-N 446.366 4.044 5 20 IIBD COCCC(=O)COc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 761864484 JNTLSKSWWUNWBO-UHFFFAOYSA-N 427.240 4.138 5 20 IIBD COCCn1c(C)c(C)c2cc(-c3nc(Cc4ccc([N+](=O)[O-])c(OC)c4)no3)ccc21 762308482 MFPWAQCSEZUYQX-UHFFFAOYSA-N 436.468 4.462 5 20 IIBD C[C@@H](C(=O)OCc1csc(CC(=O)Nc2ccccc2)n1)c1cccc([N+](=O)[O-])c1 763419724 ALQQKSFHBWSMFT-CQSZACIVSA-N 425.466 4.079 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1ccc(Cl)cc1C 763812707 XDCIPXMISHRFLR-UHFFFAOYSA-N 438.889 4.091 5 20 IIBD CSc1ccc(C(=O)OCc2nc(-c3cc(F)c(F)c(F)c3)no2)cc1[N+](=O)[O-] 767975368 FVVKMKIWUMRUOR-UHFFFAOYSA-N 425.344 4.141 5 20 IIBD COc1ccc(CC(=O)N(Cc2ccccc2)C[C@@H](O)c2cccc(C)c2)cc1[N+](=O)[O-] 768357641 FYJKSKCXXOOBJO-HSZRJFAPSA-N 434.492 4.217 5 20 IIBD C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H](O)c1c(Cl)cccc1Cl 771718490 QAVBCICIVQNAKX-HXPMCKFVSA-N 438.311 4.354 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 774638189 DZQSIUCCCXVXNS-KGLIPLIRSA-N 437.928 4.181 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCN1C(=O)OC(C)(C)C 775239476 ZHWONIRAOMUKCQ-WBVHZDCISA-N 432.521 4.057 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2ccn(C(F)F)n2)c2ccccc2)c([N+](=O)[O-])c1 775938275 CMTBDEHFYHJXFL-QGZVFWFLSA-N 430.367 4.032 5 20 IIBD O=[N+]([O-])c1ccc([C@H](O)CSc2nnc(-c3ccncc3)n2Cc2ccccc2)cc1 776270642 FCFZKDGTGOIVNO-HXUWFJFHSA-N 433.493 4.122 5 20 IIBD CCCC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2cccc(SC)c2[N+](=O)[O-])cc1 777074563 VONOFNHHLAIENL-ZDUSSCGKSA-N 430.482 4.484 5 20 IIBD CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)N2Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 777965232 XKTXDWBTZMEJIL-IHWFROFDSA-N 441.532 4.326 5 20 IIBD C[C@H](Nc1ccc(C(=O)O[C@H]([C@H]2CCOC2)C(F)(F)F)cc1[N+](=O)[O-])c1ccccn1 778036259 DTYCTXYBRLNNNZ-XAYKYTGQSA-N 439.390 4.287 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Oc1cccc(C(=O)Nc2ccccc2)c1 781636641 YCQLBOLXYTUELM-UHFFFAOYSA-N 435.392 4.294 5 20 IIBD CN(C(=O)OC(C)(C)C)c1ccc(OC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cc1 781686832 YGZPJIJJVMVLEO-IBGZPJMESA-N 441.440 4.065 5 20 IIBD CCCn1cc(C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cn1 781707383 VFEPRRSPFHAWBB-IBGZPJMESA-N 442.859 4.392 5 20 IIBD COc1ccc(-c2noc([C@H](C)OC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)cc1 782059755 XPCQIAVVJVXJKS-STQMWFEESA-N 429.454 4.438 5 20 IIBD CCCCOc1ccc([C@@H](C)NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OC 783307138 APTRFVKTRWOXOF-CYBMUJFWSA-N 449.891 4.252 5 20 IIBD CCN(C(=O)[C@@H](C)OC(=O)c1cccc([N+](=O)[O-])c1Br)C1CCCCC1 784632942 SGCJTOFHMVZZFZ-GFCCVEGCSA-N 427.295 4.084 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N(C)[C@H](c2ccccc2)C(C)C)cc1[N+](=O)[O-] 784704936 JMAKIUDSOQODPT-SFHVURJKSA-N 448.317 4.460 5 20 IIBD O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CC[C@](O)(c2ccc(F)cc2)C1 785239870 RRTYERYEGIIYRP-XMMPIXPASA-N 436.439 4.047 5 20 IIBD CC(=O)c1cc(N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)ccc1[N+](=O)[O-] 786575959 ZBWQERSFQKLYKT-UHFFFAOYSA-N 438.362 4.051 5 20 IIBD Cc1cccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c1Br 787449776 ZYZMELSTFYQELS-UHFFFAOYSA-N 446.070 4.497 5 20 IIBD C[C@@H](OC(=O)Cc1ccc(Br)c(Cl)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 787824057 VJZNHGDOCWLHQX-SNVBAGLBSA-N 441.665 4.124 5 20 IIBD COc1ccc(-c2nc(C(=O)OCc3ncc(C)c([N+](=O)[O-])c3C)cs2)cc1OC 789444841 OEVRVRHUERWUQV-UHFFFAOYSA-N 429.454 4.104 5 20 IIBD Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 791018506 RSEZMCNRMZBHAQ-UHFFFAOYSA-N 437.200 4.288 5 20 IIBD COc1ccc(-c2nnc(COC(=O)c3cc([N+](=O)[O-])cc(Br)c3C)o2)cc1 792473776 RCXBAWBDKNVQFG-UHFFFAOYSA-N 448.229 4.081 5 20 IIBD C[C@@H]1C(=O)CC[C@@H]1CC(=O)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 796229120 BQHMASTZOXZRME-QDUSTFBWSA-N 444.871 4.477 5 20 IIBD C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 796441979 FKPBWMJMWKPNQA-GAJHUEQPSA-N 442.947 4.173 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 800145286 TZXGKYKMOKHZGB-UHFFFAOYSA-N 428.441 4.269 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(C)(C)C1 801050499 FVXJGNWYPWOXQZ-HNNXBMFYSA-N 445.438 4.379 5 20 IIBD Cc1c(C(=O)NCc2cc(F)c(F)cc2Br)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 804690502 YFMSVBLQMZPZRO-UHFFFAOYSA-N 444.188 4.091 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(Oc2cccnc2)cc1 807898851 KWQDRPOVPKQHDT-QGZVFWFLSA-N 448.479 4.110 5 20 IIBD O=[N+]([O-])c1ccc(N2CCOCC2)c(-c2nc(-c3cccc(-c4cscn4)c3)no2)c1 809434324 ZIZOHWMKUASWOZ-UHFFFAOYSA-N 435.465 4.272 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cc([N+](=O)[O-])cc(Br)c3C)n2)c1 809476296 LOBGXSONAWNNDT-UHFFFAOYSA-N 449.217 4.223 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(Cc3nc4ccccn4c3Br)CC2)cc1 809581070 HZLYPLRTSGEXQG-UHFFFAOYSA-N 431.290 4.048 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 814152470 HTHBKZFTQUORCA-WSTZPKSXSA-N 431.533 4.021 5 20 IIBD CC(C)(C)C(=O)NCCC(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1OCc1ccccc1 824659495 IDROFVMWANWPDP-UHFFFAOYSA-N 433.892 4.318 5 20 IIBD CCCS(=O)(=O)Nc1cccc(NCc2c(Br)cccc2[N+](=O)[O-])c1C 864027193 VXQPURHSVLXGKZ-UHFFFAOYSA-N 442.335 4.430 5 20 IIBD CCN1CCN(c2ccc(N[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c(C)c2)CC1 913112030 NXMJJHVCDIRCDK-MRXNPFEDSA-N 445.951 4.138 5 20 IIBD O=C(CC1CC1)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 914813308 SEVKMOFAXXNSMN-GOSISDBHSA-N 433.258 4.380 5 20 IIBD Cc1c(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)cc([N+](=O)[O-])cc1[N+](=O)[O-] 915871665 YXPBOPJMJTYWIK-UHFFFAOYSA-N 433.270 4.267 5 20 IIBD COc1ccccc1[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1C)NC(=O)OC(C)(C)C 916669170 OWZAXEHIJYZUCS-KRWDZBQOSA-N 444.488 4.299 5 20 IIBD O=C(Nc1cccc(CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)c1)c1ccc(F)cc1 917094608 GIQRWIIHGMAJHS-UHFFFAOYSA-N 448.454 4.491 5 20 IIBD C[C@H](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(=O)Nc1cc([N+](=O)[O-])ccc1F 917611639 MYZFAGFJYKJAKQ-LLVKDONJSA-N 436.371 4.165 5 20 IIBD Cc1nn(-c2ccccc2)c2ncc(C(=O)OCCCOc3ccc([N+](=O)[O-])cc3)cc12 919105417 BVTIAPFZLXEHQG-UHFFFAOYSA-N 432.436 4.263 5 20 IIBD Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c(Cl)c1 919226153 BCIMNKLRONLBAP-LBPRGKRZSA-N 435.820 4.266 5 20 IIBD CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2I)[C@H]1c1ccccc1 919864990 GWXSMKGSBUHHKF-INIZCTEOSA-N 436.249 4.423 5 20 IIBD Cc1ccc(N2C(=O)C[C@H](C(=O)NCc3cccc([N+](=O)[O-])c3)[C@@H]2c2cccs2)cc1 921288765 SYLSZYZFMHIVCR-SIKLNZKXSA-N 435.505 4.375 5 20 IIBD COc1ccc(-c2nnc(N(Cc3cccc([N+](=O)[O-])c3)C3CC3)n2C[C@H]2CCOC2)cc1 1324250780 LUUUMZRNMPLTAP-GOSISDBHSA-N 449.511 4.067 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CNc2cccc(CN3CCCC3)c2)c1 1329958764 XNSYOPIQCIGIQW-UHFFFAOYSA-N 437.281 4.407 5 20 IIBD O=c1ccc([N+](=O)[O-])cn1Cc1nnc(-c2ccc(COc3ccc(Cl)cc3)cc2)o1 1341253411 TVLRIXFUQKSSQM-UHFFFAOYSA-N 438.827 4.087 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)C3(F)CC3)CCC2)cc1 1786602860 WTEKQUBRZZGKBM-UHFFFAOYSA-N 425.460 4.164 5 20 IIBD COc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])[nH]4)CCC3)cc2)ccc1C 1790318744 CIFPDCHVXDNTDW-UHFFFAOYSA-N 448.479 4.301 5 20 IIBD Cc1scc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C3)c1C 1795328854 KHJXHZBCVYUODU-REPLKXPHSA-N 441.553 4.158 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)F)CC1 1830729227 JKKMPJGZDAIVTG-GOSISDBHSA-N 437.487 4.024 5 20 IIBD CC/C=C(\C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1832519663 PZPBBDHUDCXUGX-GFZYJOBSSA-N 431.508 4.324 5 20 IIBD Cc1c(C(=O)N2CCCC23CN(C(=O)[C@H](F)c2ccccc2)C3)cc(Cl)cc1[N+](=O)[O-] 1845498773 PYMCUVUWYFGIRJ-LJQANCHMSA-N 445.878 4.084 5 20 IIBD CC(C)c1ccc([C@@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)c2cccs2)cc1 10102564 OUJYHWIEIWQTAU-JOCHJYFZSA-N 437.521 4.415 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1 16054121 GHBOBMUTFMBLHY-SECBINFHSA-N 434.455 4.241 5 20 IIBD Cc1noc(C)c1COC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 24725007 QNWCVHPSXLHBOO-UHFFFAOYSA-N 427.379 4.178 5 20 IIBD Cc1ccc(NC(=O)NC(=O)CSc2nc3cc4ccccc4cc3c(=O)n2C)cc1C 25798381 GHULUAAOSLMAQK-UHFFFAOYSA-N 446.532 4.144 5 20 IIBD CCn1c(SCCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)nnc1-c1ccccc1 26251386 WNQHYULNPPXZDJ-UHFFFAOYSA-N 427.486 4.003 5 20 IIBD Cn1c(SCC(=O)N[C@@H](c2ccccc2)C2CC2)nc2cc3ccccc3cc2c1=O 26580854 PNYMCLPQJFGECO-QHCPKHFHSA-N 429.545 4.446 5 20 IIBD O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O)c1ccc([N+](=O)[O-])cc1 29697149 HEEYRDFSFAGYDC-UHFFFAOYSA-N 447.856 4.007 5 20 IIBD CCc1cc(NCCNC(=O)c2ccccc2Cl)nc(-c2ccc([N+](=O)[O-])cc2)n1 59577638 BAVXLIDYQPGJJO-UHFFFAOYSA-N 425.876 4.110 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C(F)(F)F)ccc2NC(C)=O)cc1OC 64827850 NFDCCVFUTRXBIK-UHFFFAOYSA-N 441.362 4.232 5 20 IIBD Cc1cccc(NC(=O)COc2ccc(CCNC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)c1 65418388 GLODWOHQSUFAEH-UHFFFAOYSA-N 447.491 4.202 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 215620492 SOMPKKSOAKXWOU-UHFFFAOYSA-N 431.436 4.256 5 20 IIBD O=[N+]([O-])c1cnc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c(Br)c1 301525284 IPGTWNCBDCAXIR-INIZCTEOSA-N 426.698 4.356 5 20 IIBD CC[C@@H](C(=O)N1CCC(Nc2ncc(Br)cc2[N+](=O)[O-])CC1)c1ccccc1 301666893 CMVGATVKHSBEQC-QGZVFWFLSA-N 447.333 4.349 5 20 IIBD CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2c1c(Br)cncc1[N+](=O)[O-] 302060983 SBTRSFPJGKOHLE-XYPWUTKMSA-N 445.317 4.024 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N[C@@H]1CCO[C@H](c2ccccc2)C1 302169099 KXSIPURGMRRTFY-DYVFJYSZSA-N 430.404 4.221 5 20 IIBD O=C(CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)Nc1cccc2cccnc12 303113390 KTJLPLGQXCXSIF-UHFFFAOYSA-N 441.447 4.255 5 20 IIBD O=C(N[C@H](c1ccc(Cl)cc1)c1cccs1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 303410134 RAVOSGUEZDROGF-LJQANCHMSA-N 439.884 4.410 5 20 IIBD Cc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1I 410031770 XEXJBILLQNUDNV-UHFFFAOYSA-N 430.629 4.091 5 20 IIBD O=C(NC[C@H](Cc1ccccc1)c1ccccc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 426041386 DXXIIQBBQKATOG-NRFANRHFSA-N 433.512 4.164 5 20 IIBD Cc1cc(=O)c(C(=O)N2CCC[C@H]2CCC2CCCCC2)nn1-c1ccccc1[N+](=O)[O-] 427103379 VWQZSPODEULJRB-IBGZPJMESA-N 438.528 4.414 5 20 IIBD O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 428552554 VOMRSEVWFDLAFE-JOCHJYFZSA-N 446.507 4.026 5 20 IIBD CCOc1ccc([C@H](C)NC[C@@H](CO)Cc2cccc(Br)c2)cc1[N+](=O)[O-] 429451723 YAZHLRXYBJJCSG-HOCLYGCPSA-N 437.334 4.258 5 20 IIBD C[C@@H](NC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)c1cccc(O)c1 430246983 GMADLMYGYQOTGK-OAHLLOKOSA-N 433.464 4.088 5 20 IIBD CCN([C@@H](c1cccnc1)c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] 431891632 YETWDLFCSGGJFA-OAQYLSRUSA-N 447.463 4.377 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H](Cc2ccc(Br)cc2)C1 433321539 VMSMVZBUJVMNFR-MRXNPFEDSA-N 432.318 4.169 5 20 IIBD O=C(Nc1cc(Cl)ccc1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccco1 433694863 QTDMMZLIDVRBRD-KRWDZBQOSA-N 440.843 4.311 5 20 IIBD COc1cc(-c2nc(CN3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)cs2)ccc1O 436708600 YCXBXUWVIWDQRO-UHFFFAOYSA-N 441.509 4.476 5 20 IIBD O=C1Nc2ccccc2[C@@H]1C1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 437136837 MPXYFXSPONHLIN-SFHVURJKSA-N 433.386 4.202 5 20 IIBD CC(C)C(=O)Nc1cccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 437679584 JLZKGRSEEAWRGU-UHFFFAOYSA-N 426.473 4.265 5 20 IIBD Cc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)cc1NS(=O)(=O)c1ccccc1 438897226 UQGUWUJLBLANLW-UHFFFAOYSA-N 439.493 4.194 5 20 IIBD CN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 438925316 KDSKKXRVFRNUBZ-UHFFFAOYSA-N 446.290 4.311 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCC(c1ccccc1)c1ccccc1 439757037 MZPUHQUQYCLTLP-UHFFFAOYSA-N 447.491 4.270 5 20 IIBD CCCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F 442220307 PAOSPXZKGONQGH-UHFFFAOYSA-N 447.847 4.090 5 20 IIBD C[C@@H](NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])C(=O)N1CCCC[C@H]1C 442716425 QVFSDIIGJPGQJI-HZPDHXFCSA-N 427.526 4.265 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 443726264 WFQFJPPKZKFHNK-CQSZACIVSA-N 433.461 4.060 5 20 IIBD O=C(N[C@H]1CCCN(c2ccccc2)C1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444029041 HQVVPLMLMTXYTL-KRWDZBQOSA-N 433.458 4.358 5 20 IIBD O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444033746 SDWPKUXSJXQBKT-SFHVURJKSA-N 447.485 4.354 5 20 IIBD O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444227987 SJOQHWNNKXISQK-CYBMUJFWSA-N 437.421 4.107 5 20 IIBD O=C(N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 444288769 MBRYPJUYDKQYMA-CQSZACIVSA-N 449.869 4.009 5 20 IIBD COc1cc(Cc2noc(CCCOc3ccc(C)cc3C)n2)c([N+](=O)[O-])c(OC)c1 445821181 WMETYCWWAMEQKR-UHFFFAOYSA-N 427.457 4.214 5 20 IIBD CC1CCN(c2ccc(-c3nc(Cc4nncn4-c4ccccc4)no3)cc2[N+](=O)[O-])CC1 446001667 BOIUFOSOKYNYDU-UHFFFAOYSA-N 445.483 4.053 5 20 IIBD O=[N+]([O-])c1ccc(C(F)(F)c2nc(Cc3ccc(OCC(F)(F)F)nc3)no2)cc1 446006726 FSSPTLSJVVJDBN-UHFFFAOYSA-N 430.289 4.045 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N[C@H](c2cccc(C(F)(F)F)c2)c2nc[nH]n2)cc1[N+](=O)[O-] 446681405 JRNAFMUQXZYKCU-SJKOYZFVSA-N 448.405 4.190 5 20 IIBD COc1ccc(C2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cc1 447014669 DHGSVYKMASKEHJ-UHFFFAOYSA-N 444.431 4.191 5 20 IIBD CC(C)(CNC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1ccccc1Br 448449206 VIABMDXJMDIFCU-UHFFFAOYSA-N 444.285 4.319 5 20 IIBD CCCC[C@@H](C)N(C)C(=O)c1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 461433894 ZNLRKOAGAFTFIX-OAHLLOKOSA-N 449.529 4.055 5 20 IIBD COC(=O)C(C)(C)N(Cc1ccccc1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 464497100 XCJICHRYJOHTMO-UHFFFAOYSA-N 439.493 4.312 5 20 IIBD Cc1c(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cnn1-c1ccc(Cl)cc1 464663324 WLMAXMKJOAEEPY-UHFFFAOYSA-N 440.887 4.426 5 20 IIBD COc1cccc(NC2CCN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 465136634 BVUWFISUXJAQDC-UHFFFAOYSA-N 433.892 4.129 5 20 IIBD Cc1sc(S(=O)(=O)N2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)cc1[N+](=O)[O-] 467053751 MCPSNDUOLLDRTH-OAHLLOKOSA-N 448.570 4.464 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(CSCc2ccccc2)c1 467981146 DZEXOBNSIYBAFD-UHFFFAOYSA-N 449.532 4.326 5 20 IIBD Cc1cc(C)n(-c2ccc([C@@H](C)NS(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2)n1 468892210 HBXFLMMPZVJJSO-CQSZACIVSA-N 434.905 4.090 5 20 IIBD CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCCN(Cc2ccccc2)C1 470664786 BFKBPCUZWPDYNQ-QGZVFWFLSA-N 432.318 4.094 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)Cc1cc(Br)ccc1F 471051007 VDOXKMJTVVSDLH-LLVKDONJSA-N 425.254 4.256 5 20 IIBD Cc1cc(-c2ncccc2NC(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cs1 474228023 FBDHGBCBUIDCKU-UHFFFAOYSA-N 436.493 4.156 5 20 IIBD COC(=O)COc1ccc(CN2CCc3sccc3[C@@H]2c2cccs2)cc1[N+](=O)[O-] 475587660 ZZFZNFYFLZDUFO-OAQYLSRUSA-N 444.534 4.417 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@H](CCO)C2CCCCC2)cc1[N+](=O)[O-])c1ccccn1 477939033 URLLZZSCPLKBMZ-OXJNMPFZSA-N 426.517 4.224 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 482051466 RHJXXANSIAVKSH-GFCCVEGCSA-N 427.427 4.040 5 20 IIBD Cc1nc2cc(Cl)c(NC(=O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc2s1 484319469 ACXGPKYSVHCVLP-UHFFFAOYSA-N 444.900 4.296 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C2(c3ccccc3)CCCC2)cc1OC 484383028 UTSQPJFJVMEEIJ-QGZVFWFLSA-N 442.512 4.259 5 20 IIBD O=C(NCc1ccc(N2CCCC2)nc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 486332009 JJMPHADEDGCUKS-UHFFFAOYSA-N 432.480 4.099 5 20 IIBD COc1cccc(N2CC[C@@H](NC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])C2)c1 486532196 RIACDALUOAEZPJ-LJQANCHMSA-N 447.491 4.191 5 20 IIBD C[C@@]1(c2ccc(Br)cc2)CC(=O)N(Cc2c(Cl)cccc2[N+](=O)[O-])C1=O 489187105 JLQPIUQKTQYTFC-SFHVURJKSA-N 437.677 4.228 5 20 IIBD COc1ccc(CSCC(=O)N[C@H]2CCC[C@H]2OCc2ccccc2)cc1[N+](=O)[O-] 491199696 JLZNVAXXXADUIJ-AZUAARDMSA-N 430.526 4.091 5 20 IIBD C[C@@H](COc1ccc(F)cc1F)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 494401458 AZDLXWVIWGERDN-JTQLQIEISA-N 433.333 4.159 5 20 IIBD O=C1CCc2cc(-c3csc(NC(=O)c4ccc([N+](=O)[O-])c5cccnc45)n3)ccc2N1 498276230 MHRJSUQHQOREMH-UHFFFAOYSA-N 445.460 4.404 5 20 IIBD CC[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[C@H](O)C(F)(F)F 498364620 PLKWDCSMYHQZSS-ZFWWWQNUSA-N 437.212 4.409 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC(n2cc(-c3ccccc3)nn2)C1 500572953 WTASIBLCXYGRND-UHFFFAOYSA-N 441.447 4.343 5 20 IIBD Cc1cc(C)c(-c2cc(NC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)n[nH]2)cc1C 511498873 JVENFRAYOLKHCF-UHFFFAOYSA-N 449.467 4.237 5 20 IIBD COCCN(C(=O)CSCc1cccnc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 512161627 BHINGTLTSDXOLY-UHFFFAOYSA-N 444.538 4.026 5 20 IIBD O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCO[C@H](c3ccc(OC(F)F)cc3)C2)c1 513712871 GVXTUDFAEZSVDX-KRWDZBQOSA-N 430.354 4.371 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)Nc2cccc(-c3ncco3)c2)cc1[N+](=O)[O-] 513818358 APRASHGHENZOCL-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD CO[C@H](C)c1nc(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cs1 514218273 IMZIIWALPCQWLG-GFCCVEGCSA-N 430.452 4.100 5 20 IIBD COc1ccc(CNC(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)cc1[N+](=O)[O-] 516536678 KCIWNFMWUAPJRE-UHFFFAOYSA-N 428.876 4.048 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1nc(Cc2c(F)ccc(Br)c2F)no1 516589053 GAMXMBHYRWZLGD-UHFFFAOYSA-N 439.216 4.264 5 20 IIBD CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)c1cc(SC)ccc1[N+](=O)[O-])C1CC1 517343745 KUJGNNOCZKJSNJ-FQEVSTJZSA-N 428.510 4.096 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)cc1C 517708037 XWCAQQGWTVHDRJ-UHFFFAOYSA-N 431.489 4.400 5 20 IIBD Cn1cnnc1Sc1ccc(-c2nc(C34CC5CC(CC(C5)C3)C4)no2)cc1[N+](=O)[O-] 520273412 OMMWWYKTNVSUNE-UHFFFAOYSA-N 438.513 4.392 5 20 IIBD CCOC(=O)c1cc(C(=O)N2C[C@@H](c3ccccc3Cl)OC[C@H]2C)cc([N+](=O)[O-])c1 521930353 KPFNOCQLNRFCIA-YJYMSZOUSA-N 432.860 4.027 5 20 IIBD O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 522884905 ZLIWQPSFLRESOX-UHFFFAOYSA-N 426.778 4.401 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)NCCCOC[C@H]3CCOC3)cc2[N+](=O)[O-])cc1 525377534 DNCNDIHXIBWXHY-QGZVFWFLSA-N 430.526 4.227 5 20 IIBD COc1cc(CNc2cccc(C[S@](C)=O)c2)c([N+](=O)[O-])cc1OCC(F)(F)F 532748272 DUIIZAAYOUXBTB-LJAQVGFWSA-N 432.420 4.035 5 20 IIBD C[C@@H]1Oc2ccc(C(=O)C3CCN(Cc4ccc(Cl)cc4[N+](=O)[O-])CC3)cc2NC1=O 533371323 FNFSABXNPJQSPS-ZDUSSCGKSA-N 443.887 4.063 5 20 IIBD O=C(c1cc2ccccc2cc1OC(F)F)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 534151692 UIBJDDROUBYMEX-HNNXBMFYSA-N 428.395 4.071 5 20 IIBD Cc1cccc(NC(=O)[C@H](C)[S@@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1C 534795424 AUKRSEWQDXNKRI-JGVYIQDASA-N 427.482 4.143 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@@H](CCCO)c3ccccc3)cc2[N+](=O)[O-])C1 534922513 VFPYPFDGRKPQSC-UEXGIBASSA-N 425.529 4.321 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccccn2)c2ccccc2OC)cc1SC 536349775 RQCSCDNGZMWUQW-NRFANRHFSA-N 439.493 4.248 5 20 IIBD C[C@H]1Sc2ccc(C(=O)N(C)c3nc(-c4ccccc4[N+](=O)[O-])cs3)cc2NC1=O 538253354 ZJQBFILLVNKPBL-LLVKDONJSA-N 440.506 4.428 5 20 IIBD C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1OC(F)F 540347941 ZNZZJPZKOSNJDA-SNVBAGLBSA-N 444.232 4.248 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@H]1CC(=O)c1ccco1 540770911 BQMUBTWUIDFNCU-INIZCTEOSA-N 432.498 4.194 5 20 IIBD COc1ccc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)cc1[N+](=O)[O-] 542931111 GPUZPCYKNXBIHA-UHFFFAOYSA-N 441.753 4.109 5 20 IIBD O=[N+]([O-])c1ccccc1-c1nc(-c2ccc(OCc3nnc4n3CCCCC4)cc2)no1 545532499 JZONPFZYCBWTCR-UHFFFAOYSA-N 432.440 4.209 5 20 IIBD Cc1ccc(Cn2nc(C)c(CCc3nc(-c4ccc(N)c([N+](=O)[O-])c4)no3)c2C)cc1 545550994 NCGFJXMHUZPTNK-UHFFFAOYSA-N 432.484 4.182 5 20 IIBD COc1cc(Cc2noc(-c3cnc(-c4ccc5c(c4)OCO5)s3)n2)ccc1[N+](=O)[O-] 545761848 DBMMPAWVBHBRDG-UHFFFAOYSA-N 438.421 4.096 5 20 IIBD CC(C)(C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccc([N+](=O)[O-])cc1F 545861622 OZYUNWJFBRQSGL-UHFFFAOYSA-N 440.519 4.182 5 20 IIBD Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 546101226 NJOFQIIGUGLSCO-UHFFFAOYSA-N 426.820 4.122 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCOC2(CCOCC2)CC1 546714290 JFKWPFFJUIIJIY-UHFFFAOYSA-N 446.887 4.452 5 20 IIBD COc1ccccc1-c1csc(C2CCN(C(=O)c3cc([N+](=O)[O-])cn3C)CC2)n1 555374381 GSWRBTOQDXPQAW-UHFFFAOYSA-N 426.498 4.085 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(F)(c2cccc(OC)c2)CC1 558882663 KYLJJWYCTFJTFQ-UHFFFAOYSA-N 425.464 4.347 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c1Br 561416574 CMLWYZBODCTIAG-FQEVSTJZSA-N 431.334 4.163 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(-c3ccc(Br)cc3F)no2)c1N1CCOCC1 564271993 CAIIQGQWCWYDCB-UHFFFAOYSA-N 449.236 4.050 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(F)c(F)cc2N2CCCCC2)c2ncccc12 568574462 LELUULKHOBNKAU-UHFFFAOYSA-N 448.451 4.212 5 20 IIBD O=C1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)[C@H](C2CC2)N1 568670173 PARPRMWOJPKZER-XLIONFOSSA-N 445.928 4.186 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N[C@H]2C[C@H](c3ccccc3Cl)C2)cc1[N+](=O)[O-] 573130567 IEXIMAKIOAKJKU-HDJSIYSDSA-N 443.916 4.204 5 20 IIBD CN(Cc1cc(Br)ccc1Cl)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 580026119 ARIPKGDJRFNSKT-UHFFFAOYSA-N 441.665 4.054 5 20 IIBD COC(=O)[C@@H](C)N(C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1C 580749701 JFSMGSYAPYXZNN-ZIAGYGMSSA-N 449.301 4.364 5 20 IIBD CCOc1ccc(-c2nn(-c3ccc([N+](=O)[O-])cn3)c(=O)c3ccccc23)cc1OCC 587669387 LJUAPZMCNJTNAO-UHFFFAOYSA-N 432.436 4.153 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(Cc2ccc(-n3cccn3)cc2)no1 589082418 KMRFJOQWIVVHSJ-UHFFFAOYSA-N 440.257 4.492 5 20 IIBD COc1cc(Cc2noc(-c3cccc([N+](=O)[O-])c3OC)n2)ccc1OCC(F)(F)F 589103249 HDYGYPQWZHMVDI-UHFFFAOYSA-N 439.346 4.194 5 20 IIBD CC1(C)CCC(S(=O)(=O)Cc2cc(I)cc([N+](=O)[O-])c2)CC1 589551223 HGYGIXBRXWUTPA-UHFFFAOYSA-N 437.299 4.083 5 20 IIBD C[C@H]1CN(Cc2ccccc2CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 603769808 RACITJARTUNNTI-KSZLIROESA-N 443.569 4.001 5 20 IIBD O=[N+]([O-])c1ccc(-c2ncn(C[C@@H](O)COC(c3ccccc3)c3ccccc3)n2)cc1 603839457 JMVCDPXELWGFDG-JOCHJYFZSA-N 430.464 4.020 5 20 IIBD Cc1cc(CN(C)C(=O)COc2ccc([N+](=O)[O-])cc2)cc(C)c1OCC(F)(F)F 604018217 JJNKLAMYRGHDKJ-UHFFFAOYSA-N 426.391 4.190 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCCN(C[C@@H]2CCCO2)CC1 604573289 CNNRTRXZQOICIZ-IBGZPJMESA-N 441.553 4.073 5 20 IIBD CCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)cn1 608807974 DCSDNSKFZJDCPR-SNVBAGLBSA-N 428.670 4.226 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)N(Cc1cc(Br)ccc1F)C1CC1 608999583 PTYBIDZPNXLNJP-UHFFFAOYSA-N 436.281 4.413 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ccc(-c2nc3ccccc3[nH]2)cc1 609391698 SUMOITTWLVVKHB-UHFFFAOYSA-N 449.854 4.160 5 20 IIBD C[C@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(OCc2cccnc2)cc1 609467539 CMPMICYBUSKRQX-KRWDZBQOSA-N 436.468 4.008 5 20 IIBD O=C(NCCC(=O)N1CCc2sccc2[C@@H]1c1cccs1)c1ccc([N+](=O)[O-])cc1 609550309 ZSBNRMOHNDBPRQ-HXUWFJFHSA-N 441.534 4.012 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 610047251 VNJNACVNDGXRKM-UHFFFAOYSA-N 443.459 4.148 5 20 IIBD COc1cc(C(=O)N2Cc3ccccc3C[C@@H]2C)c([N+](=O)[O-])cc1OCc1cscn1 610189233 XWUNWJCZVWZVGS-AWEZNQCLSA-N 439.493 4.226 5 20 IIBD Cc1nn(-c2ccc(Br)cc2)cc1-c1nc(Cc2ccccc2[N+](=O)[O-])no1 612866703 XHLCBWOWQBAEQT-UHFFFAOYSA-N 440.257 4.492 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)[C@@H](C)c2c(Cl)cccc2Cl)cc([N+](=O)[O-])c1C 726316653 SHYWUWOEBOMXRR-NSHDSACASA-N 431.297 4.127 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2nc(-c3ccccc3)n[nH]2)cc1 726772536 PQBAWDJUVWIFSK-UHFFFAOYSA-N 445.435 4.111 5 20 IIBD COc1c([N+](=O)[O-])cc(NCCOc2ccc(F)c(F)c2)c([N+](=O)[O-])c1Br 730107728 RBRWCOGPZFVQCK-UHFFFAOYSA-N 448.176 4.043 5 20 IIBD COc1ccc(-c2ccc(C(=O)NCCNc3ccc([N+](=O)[O-])cc3)c(F)c2)c(F)c1 730517506 ZHUYELZXCHXWBP-UHFFFAOYSA-N 427.407 4.391 5 20 IIBD O=C(COC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1ccc(Oc2ccccc2)cc1 731525559 ISCKNSMSWICEDR-UHFFFAOYSA-N 444.403 4.008 5 20 IIBD CN(Cn1c(=S)oc2ccc([N+](=O)[O-])cc21)[C@H]1CCN(c2ccccc2Cl)C1=O 732185927 PWWKGXBJQPFZKY-HNNXBMFYSA-N 432.889 4.220 5 20 IIBD CSc1ccc(NC(=O)Cn2cc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cn2)cc1 732577951 DEQZEASSHZWLEW-UHFFFAOYSA-N 445.888 4.058 5 20 IIBD CC(C)(C)OC(=O)N1CCc2c(cccc2NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 734107314 IDOCDHQBZDBMAB-UHFFFAOYSA-N 442.428 4.049 5 20 IIBD CCc1ccc2c(COC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])cc(=O)oc2c1 735146938 FKTOREHXVZGYMD-UHFFFAOYSA-N 431.828 4.429 5 20 IIBD CCS(=O)(=O)c1ccc2oc(=S)n(CN3CCCc4ccc([N+](=O)[O-])cc43)c2c1 738044442 OGUKOVCKLBBROR-UHFFFAOYSA-N 433.511 4.076 5 20 IIBD CO[C@@](C)(C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccccc1 744977941 ZILYSGLIBFNZKL-HXPMCKFVSA-N 440.374 4.046 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCc2ccccc2OC[C@H]2CCCO2)cc1SC 747146761 DNHDMFSPDZXTEU-OAHLLOKOSA-N 433.482 4.240 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)cc1[N+](=O)[O-] 748198061 HOMQWILALZQZNY-UHFFFAOYSA-N 446.419 4.267 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc([N+](=O)[O-])c1 750139727 JQLNQIFEYXSZIH-UHFFFAOYSA-N 439.449 4.013 5 20 IIBD C[C@@H](OC(=O)c1cccc(Cl)c1[N+](=O)[O-])C(=O)Nc1cccc(Br)c1 750536142 WSPOXNAAKATBGM-SECBINFHSA-N 427.638 4.195 5 20 IIBD O=C(N[C@@H](Cn1cccn1)c1ccccc1)c1cc(Br)cc([N+](=O)[O-])c1Cl 750885798 CGYKTGCCKAUFCK-HNNXBMFYSA-N 449.692 4.379 5 20 IIBD CCOc1cc(NC(=O)NC2CCC(N3CCCCC3)CC2)c([N+](=O)[O-])cc1OCC 750988591 QXDJCAKXMYDMMR-UHFFFAOYSA-N 434.537 4.311 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)c1nc(O)c2ccccc2n1 751692747 STNCDWLUGATBHT-MRVPVSSYSA-N 436.193 4.063 5 20 IIBD Cc1cccc(NC(=O)[C@H](C)OC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1C 753430745 GFULQBUVUBTENL-ZDUSSCGKSA-N 435.274 4.467 5 20 IIBD C[C@@H](C(=O)Nc1ccccc1C(=O)NCCc1ccccc1)c1ccc([N+](=O)[O-])cc1F 754008191 BBCYFPNIBANSED-MRXNPFEDSA-N 435.455 4.449 5 20 IIBD C[C@@H](OC(=O)C(F)(F)c1c(F)cccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 757826898 KHJRJCUZRGAJQU-MRVPVSSYSA-N 434.729 4.189 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(Cc1cccnc1)c1ccc(Cl)cc1 759104180 GZBCPDVQBDEGSG-UHFFFAOYSA-N 435.864 4.486 5 20 IIBD O=C(CCc1cc(Br)cs1)O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 759926118 AHGQZSXYQFHPNB-KBPBESRZSA-N 428.308 4.275 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c(Br)s1 761293430 GXUGIQJJAZLJRI-UHFFFAOYSA-N 433.667 4.176 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H](c2noc(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)C1 761878529 IYCWVOCRHOFWMX-MRXNPFEDSA-N 443.504 4.360 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cc3ccccc3nc2Br)c1 762505958 YYAWRYRCNROHGU-UHFFFAOYSA-N 436.287 4.323 5 20 IIBD O=C(Nc1ccccc1C(=O)NC1Cc2ccccc2C1)c1ccc([N+](=O)[O-])cc1Cl 762675153 URJUQRLLJIDNGB-UHFFFAOYSA-N 435.867 4.398 5 20 IIBD C[C@@H](OC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C(=O)Nc1ccc(OC(F)(F)F)cc1 762897279 JOOUJLLZEUHBJE-SNVBAGLBSA-N 437.330 4.159 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)OC[C@H]1CCCN(C(=O)c2ccc(C)o2)C1 764614381 SDXVRMLYAMAOCC-HNNXBMFYSA-N 432.498 4.317 5 20 IIBD COc1ccc2c(C)c(CCC(=O)Nc3ccc([N+](=O)[O-])c4ncccc34)c(=O)oc2c1 765858006 BNBBHPXSJAVQJJ-UHFFFAOYSA-N 433.420 4.138 5 20 IIBD C[C@@H](NC1(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCOCC1)c1ccccc1 766098597 RKOMNCFJFRGMLI-HXUWFJFHSA-N 438.572 4.053 5 20 IIBD O=C(O[C@H]1CCOC[C@@H]1OCc1ccccc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 766993212 AAXJYQHFURHQLV-ROUUACIJSA-N 425.359 4.145 5 20 IIBD COCc1ccc([C@H]2CCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)o1 768669439 JYZRRKNKARIXNT-CYBMUJFWSA-N 427.226 4.213 5 20 IIBD CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 771554640 XGIOKPZNMAQIKC-GOSISDBHSA-N 439.281 4.328 5 20 IIBD CC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cc1 775088111 AGHPSZUBIZHEFM-CYBMUJFWSA-N 430.482 4.482 5 20 IIBD Cn1c([C@H](NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)nc2ccccc21 775758243 BRJOPNULGUISKA-JOCHJYFZSA-N 449.898 4.453 5 20 IIBD CSc1cccc(C(=O)O[C@H](C(=O)Nc2cccc(NC(C)=O)c2)C(C)C)c1[N+](=O)[O-] 777077094 CGYXCAAFEZBQPT-IBGZPJMESA-N 445.497 4.095 5 20 IIBD O=[N+]([O-])c1ccc(NNC(=S)NCc2cccc(C(F)(F)F)c2)c(Br)c1 777473046 ATSWSAAOSMCICX-UHFFFAOYSA-N 449.252 4.367 5 20 IIBD CC(C)CNC(=O)c1ccc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc1Cl 777946104 YESUAMNHMDRWQY-UHFFFAOYSA-N 425.819 4.365 5 20 IIBD O=C(OCc1nnc(-c2c(Cl)cccc2Cl)o1)c1cc2c(c([N+](=O)[O-])c1)OCO2 778899073 IHNZQRQMDHUXAE-UHFFFAOYSA-N 438.179 4.037 5 20 IIBD CCOCCOc1ccc(Br)cc1NC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] 779452972 PNSNMVGHLJIMSZ-UHFFFAOYSA-N 441.253 4.472 5 20 IIBD CC[C@@](C)(CCCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C1OCCO1 780823416 OEFFCYYXWKWMFD-DEOSSOPVSA-N 444.478 4.259 5 20 IIBD C[C@H](OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)N1c2ccccc2C[C@@H]1C 781261431 UZJOTHATAWIIOP-HOTGVXAUSA-N 426.472 4.204 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1 781456727 IRQOZXJFSKTLAV-UHFFFAOYSA-N 425.319 4.115 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@H](N3CCCCC3=O)C2)cc1OC 782042840 VYGGNAMFORGSSD-MJGOQNOKSA-N 433.549 4.005 5 20 IIBD CCN(Cc1ccccc1)C(=O)[C@H](C)OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 783315194 GYDJHEVZTCHWKY-HNNXBMFYSA-N 439.493 4.312 5 20 IIBD CCN(C(=O)[C@@H](C)OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCCCC1 783316697 RCYNJUYNWFQSHO-CQSZACIVSA-N 431.514 4.445 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(N[C@H]2CSc3ccc(Br)cc32)c1[N+](=O)[O-] 784708952 DEUMCCWOCCITEG-LBPRGKRZSA-N 440.275 4.325 5 20 IIBD CON(Cc1ccccc1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 785373260 BLHRLOJOMNEDRG-UHFFFAOYSA-N 443.506 4.336 5 20 IIBD O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 785757546 WCJHGKQOVUSNPJ-UHFFFAOYSA-N 432.912 4.304 5 20 IIBD COc1ccc(CN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C(C)(C)C)c(OC)c1 788463433 CEMNCCXRQIBUQP-UHFFFAOYSA-N 431.445 4.270 5 20 IIBD COC(=O)COc1ccc(CN2CCCCC[C@@H]2C[C@H](O)c2ccccc2)cc1[N+](=O)[O-] 789514194 PTKXVKNEPFHWHR-IRLDBZIGSA-N 442.512 4.015 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(OC[C@H](O)COc2cccc([N+](=O)[O-])c2)c(Cl)c1 790139798 PSEJFKVSLNRHEW-OAHLLOKOSA-N 438.864 4.414 5 20 IIBD CNC(=O)c1cc(Oc2cc(C)ccc2NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)ccn1 790816454 QJFYVRUBAWAYRW-UHFFFAOYSA-N 438.415 4.150 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl 795710839 HQAVNZKCAUYIRI-JTQLQIEISA-N 427.240 4.484 5 20 IIBD COc1c(C(=O)OCc2csc(N(C(C)=O)c3ccccc3F)n2)cccc1[N+](=O)[O-] 796306568 UUBCDFSQUOPPEI-UHFFFAOYSA-N 445.428 4.241 5 20 IIBD CCOc1ccc([C@@H]2CCCN2C(=O)COC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc1 796440038 RXWIPZPAQUPDDU-FQEVSTJZSA-N 440.496 4.178 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)c1Br 799330997 NSQRMESRQAPXQH-CYBMUJFWSA-N 443.342 4.192 5 20 IIBD CCCc1sc(C(=O)OCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)cc1CC 800744121 WBDIHXBMKUCNOG-UHFFFAOYSA-N 448.497 4.128 5 20 IIBD COC(=O)Nc1cccc(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 804608152 MFLNOSWPGKNVAU-UHFFFAOYSA-N 437.402 4.068 5 20 IIBD O=C(Nc1cccc(Cl)c1OCC(F)F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 806825178 ZURUXEORANXBKC-UHFFFAOYSA-N 440.834 4.246 5 20 IIBD O=C(COc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1N1C(=O)c2ccccc2C1=O 808056277 LLXSJTIJQWPFDO-UHFFFAOYSA-N 436.807 4.311 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)[C@@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] 808487566 CIKPMBYLTLILNP-BFUOFWGJSA-N 445.438 4.270 5 20 IIBD CC[C@H](NC(=O)Cc1noc(-c2cc([N+](=O)[O-])ccc2N2CCCCC2)n1)c1ccccc1 809485059 KZZZRCGSBHHSBP-FQEVSTJZSA-N 449.511 4.445 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N(Cc2ccccc2)Cc2cc[nH]n2)c(Cl)cc1Cl 809815266 SXYGZBWMFCMNCI-UHFFFAOYSA-N 441.296 4.016 5 20 IIBD Cc1ccc(OC2CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)CC2)cc1 809817800 OWJMJHYPOGZHLU-UHFFFAOYSA-N 445.324 4.442 5 20 IIBD CC(C)CC[C@@H](NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C(C)(C)C 810365985 ZPFUYHWNNFEBFM-OAHLLOKOSA-N 428.327 4.263 5 20 IIBD CCc1sc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Br 815335661 TVORMFACIVGFTA-UHFFFAOYSA-N 427.276 4.085 5 20 IIBD CCc1nc(C(C)C)ccc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 815353727 NOKPPMZEJXGSEO-UHFFFAOYSA-N 439.390 4.490 5 20 IIBD C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1ccc(N2CCCOC2=O)cc1 817277859 FWSILSAUXJRMFZ-AWEZNQCLSA-N 429.448 4.236 5 20 IIBD Cc1ccc(OCCC(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1C 913327279 HMHPEOCGKNRRCQ-UHFFFAOYSA-N 440.374 4.181 5 20 IIBD C[C@@]1(c2cc3ccccc3o2)NC(=O)N(Cc2c(Br)cccc2[N+](=O)[O-])C1=O 915662387 ADKJIAZPWGAEPW-IBGZPJMESA-N 444.241 4.071 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 915810722 GRKBQJYNCPQLPR-UHFFFAOYSA-N 448.435 4.258 5 20 IIBD Cc1c(C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)oc2c1C(=O)CCC2 915810999 NMEJGEAOPDSSKK-UHFFFAOYSA-N 434.404 4.487 5 20 IIBD COc1ccc(CN(Cc2ccco2)S(=O)(=O)/C=C\c2ccccc2)cc1[N+](=O)[O-] 917394832 QPQOLYHDWNXMKB-QBFSEMIESA-N 428.466 4.199 5 20 IIBD O=C(Nc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)c1cccc([N+](=O)[O-])c1 917868162 JYVPHMXCSGSHLL-UHFFFAOYSA-N 449.444 4.163 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc3nc(CN4CCCCC4)[nH]c3c2)c1 1116910140 XKYIHNNPWNJDHD-UHFFFAOYSA-N 437.500 4.173 5 20 IIBD Cc1ccc(CN2CCN(Cc3nnc(-c4c(C)cc(C)c([N+](=O)[O-])c4C)o3)CC2)cc1 1258004868 WORJPKMCGULUIB-UHFFFAOYSA-N 435.528 4.196 5 20 IIBD O=C(COC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1)Nc1cc([N+](=O)[O-])ccc1F 1319710535 FBFRIZZUNDWMAU-UHFFFAOYSA-N 425.294 4.030 5 20 IIBD O=C(COC(=O)c1ccc2c(c1)oc1ccccc12)Nc1cc2c(cc1[N+](=O)[O-])OCO2 1322177748 GOUVNLBIQQMIMT-UHFFFAOYSA-N 434.360 4.018 5 20 IIBD O=C1[C@H](NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CCN1Cc1ccccc1 1338750901 GWQONPNFEURKHL-LJQANCHMSA-N 425.872 4.399 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(F)cc1NC(=O)c1cc([N+](=O)[O-])c2nsnc2c1 1341910652 RVVNHPABFCCSOV-UHFFFAOYSA-N 433.421 4.338 5 20 IIBD O=C(Cc1ccc(Cl)cc1[N+](=O)[O-])NC1(c2ccc(NC(=O)[C@H]3C[C@H]3F)cc2)CCC1 1790428394 FBTXRFZMEGOOIF-ZWKOTPCHSA-N 445.878 4.283 5 20 IIBD O=C(CC(F)(F)F)NC1(c2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2)CCC1 1790619779 QKYYBJZSPCZKCZ-UHFFFAOYSA-N 437.374 4.001 5 20 IIBD Cc1[nH]ccc1C(=O)NC1(c2ccc(NC(=O)c3cccc(F)c3[N+](=O)[O-])cc2)CCC1 1790699135 XYIPLPRHUMKIQG-UHFFFAOYSA-N 436.443 4.432 5 20 IIBD Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2cccc([N+](=O)[O-])c2)c(C)c1 1793940198 STAATEIBSXAMDI-WKCHPHFGSA-N 435.524 4.096 5 20 IIBD CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3cccc([N+](=O)[O-])c3)[nH]n2)CCCC1 1814527387 ZAVFPQIQFDVXIH-LJQANCHMSA-N 439.516 4.133 5 20 IIBD Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)cc1C 1829834635 QVGIFVNPRLMFHK-OAQYLSRUSA-N 438.528 4.087 5 20 IIBD Cc1c(C(=O)N2CCCC23CN(C(=O)CCCC(F)(F)F)C3)cc(Cl)cc1[N+](=O)[O-] 1845498734 MVXFLDZPEPLAQS-UHFFFAOYSA-N 447.841 4.106 5 20 IIBD COc1ccc(CCNc2nnc(SCc3ccc([N+](=O)[O-])cc3)s2)cc1OC 9826368 IYDDBGKOQMJKNV-UHFFFAOYSA-N 432.527 4.410 5 20 IIBD CCc1ccccc1NC(=O)COC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 10210167 NIJOOCSOKJUOFU-UHFFFAOYSA-N 425.485 4.189 5 20 IIBD Cc1c(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C 17303323 GZDNGHWQQPKQJW-UHFFFAOYSA-N 443.463 4.389 5 20 IIBD C[C@@H](Sc1nnc(NCc2ccco2)s1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 17983235 BBXYAODLBXSUSG-SECBINFHSA-N 439.906 4.424 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2sc(C)nc2-c2ccccc2)c([N+](=O)[O-])c1 18766355 NFDNSMYEOFCTLX-LBPRGKRZSA-N 441.465 4.219 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1noc(-c2ccc(F)cc2)n1 23204751 LPNFGTHYTUKPIX-UHFFFAOYSA-N 429.407 4.087 5 20 IIBD CCOc1cc(C(=O)N(Cc2ccc(OC)cc2)CC(F)(F)F)c([N+](=O)[O-])cc1OC 24867915 GPPJIEFNXSNFRX-UHFFFAOYSA-N 442.390 4.215 5 20 IIBD COc1ccc(NC(=O)CCSc2nnc(-c3c[nH]c4ccccc34)o2)c([N+](=O)[O-])c1 26363142 JVKNHVACLZPGMT-UHFFFAOYSA-N 439.453 4.256 5 20 IIBD Cc1c(C(=O)Nc2ccc(Br)cc2Cl)nnn1-c1cccc([N+](=O)[O-])c1 97055675 XMPBKYBBDVCDSI-UHFFFAOYSA-N 436.653 4.152 5 20 IIBD O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCCN1C(=O)Cc1ccccc1[N+](=O)[O-] 105961695 FNPIKAQBHPWTIQ-SFHVURJKSA-N 436.295 4.464 5 20 IIBD Cc1ccc(-n2ncc(C(=O)NCCNc3ccccc3[N+](=O)[O-])c2C2CC2)cc1Cl 105977611 PRBGSJHNNDRDLY-UHFFFAOYSA-N 439.903 4.462 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H](C)COCC(F)(F)F)cc1 109298833 FNASEYXLHRGIEF-LBPRGKRZSA-N 428.363 4.093 5 20 IIBD COc1ccccc1-c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)[nH]n1 111100370 WZXLVECNZCHWFO-UHFFFAOYSA-N 435.484 4.482 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)c1 216826546 SAHUGHISMVGSGN-GOSISDBHSA-N 427.526 4.035 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCC1(c2cccc(Br)c2)CC1 301388367 DUKFGZPGJNJESD-UHFFFAOYSA-N 432.274 4.458 5 20 IIBD O=c1c(Cl)c(N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)cnn1-c1ccc([N+](=O)[O-])cc1 301989935 MGKMDGQIQGZODH-VQIMIIECSA-N 447.278 4.390 5 20 IIBD CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Br 410382577 ONRQNOPIIVJQSE-UHFFFAOYSA-N 439.209 4.201 5 20 IIBD O=C(NCCOc1cccc(Br)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 425996125 YWFACIMHNCYBOO-UHFFFAOYSA-N 434.290 4.110 5 20 IIBD Cc1cc(NC(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc(C)c1Br 426184634 UJXIMLCYIBKPFH-UHFFFAOYSA-N 446.301 4.104 5 20 IIBD CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2I)c2ccccc2O1 427275048 OEVKRXACKFRPMI-UHFFFAOYSA-N 438.221 4.017 5 20 IIBD C[C@@H](O)CN(C)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2 428678884 XINGCNOVUVKXIK-VVZNPABPSA-N 431.492 4.473 5 20 IIBD C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] 430613742 WOEULNKGDZFSJZ-HNNXBMFYSA-N 432.318 4.094 5 20 IIBD CC(C)(NC(=O)NCCc1nc(-c2cccc(Cl)c2)no1)c1ccc([N+](=O)[O-])cc1 431674593 DSRNDZYFVHKSCC-UHFFFAOYSA-N 429.864 4.075 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN3CCC4(CCN(Cc5ccccc5)CC4)C3)o2)cc1 433072581 CDAPGBLKDBPKGO-UHFFFAOYSA-N 433.512 4.133 5 20 IIBD COc1cc(NC(C)=O)ccc1NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 435443712 PJIZBPWSMJQHIM-CQSZACIVSA-N 449.467 4.382 5 20 IIBD CC[C@@](C)(COc1ncccc1Cl)NC(=O)c1ccc([N+](=O)[O-])cc1Br 435458876 LFPWWZPEKMGSJR-KRWDZBQOSA-N 442.697 4.383 5 20 IIBD COc1cccc(C(=O)Nc2c(C)c(C)nn2-c2ccc(Br)cc2)c1[N+](=O)[O-] 435862535 OGDGQKQTQVBKLW-UHFFFAOYSA-N 445.273 4.421 5 20 IIBD O=C(c1cccc(Cl)c1)N1CCCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 436307919 OQLJZICJTJHARW-UHFFFAOYSA-N 428.798 4.015 5 20 IIBD O=C(Nc1ccccc1)Nc1cccc2c1CCN(C(=O)c1cc([N+](=O)[O-])ccc1O)C2 436972842 QJEDBXXNQSJPGP-UHFFFAOYSA-N 432.436 4.143 5 20 IIBD CC[C@@H]1Oc2cc([C@@H](C)NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)ccc2NC1=O 437017990 LFPHLRMCLVRFQZ-HWPZZCPQSA-N 437.374 4.214 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@H]2CC[C@@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] 438681428 PBVBIIMGDGOOIA-IEIRFRATSA-N 435.524 4.035 5 20 IIBD Cc1c(CC(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)cccc1[N+](=O)[O-] 439030220 TYWDPNMAHJMLRT-UHFFFAOYSA-N 435.446 4.199 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N(C)c2ccc3ccccc3n2)cc1[N+](=O)[O-] 439222339 JVQQUDQPUMCHEZ-UHFFFAOYSA-N 436.287 4.039 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] 439255096 WFMAMJVBAYLHPA-MRXNPFEDSA-N 443.294 4.331 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N(C)Cc2cccc(C)n2)c([N+](=O)[O-])c1 439594974 JFFHLIPEMKIGQT-UHFFFAOYSA-N 440.525 4.150 5 20 IIBD O=C(c1ccccc1)N1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 440411775 DYGBORUUZHNCSN-UHFFFAOYSA-N 447.516 4.344 5 20 IIBD CC(C)C(=O)NC[C@@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 442036914 WPOHEPVWZHFJNJ-KRWDZBQOSA-N 441.553 4.370 5 20 IIBD C[C@H]1CCN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)[C@H]1CO 443386004 IEOMZBLYZSFOLF-LRDDRELGSA-N 429.523 4.199 5 20 IIBD O=C(NCc1nc2ccccc2n1C1CC1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444310151 GVHNIQWCCUCKPC-UHFFFAOYSA-N 426.451 4.435 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 444905871 LCWLTXVTHQGUAA-UHFFFAOYSA-N 427.436 4.229 5 20 IIBD CCCc1c(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cnn1-c1cccc(C)c1 446986080 DHSMWPOARDSQLA-UHFFFAOYSA-N 430.468 4.479 5 20 IIBD CCOc1ccc(C2(CN[C@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)CCOCC2)cc1 447537690 XSWDASOHYJSYHK-SFTDATJTSA-N 428.533 4.012 5 20 IIBD Cc1ccc([C@@]2(C)CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)C2)cc1 447690306 CIHZYTHGAOIIEK-RDGATRHJSA-N 435.524 4.006 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCc1nc(-c2cccc(Br)c2)no1 447815063 BIDITBWTBIJFLQ-UHFFFAOYSA-N 444.167 4.433 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])c1nnc(CC2CCCCC2)n1C[C@@H]1CCOC1 461578265 OLMNNUHVVFSINC-IBGZPJMESA-N 427.549 4.025 5 20 IIBD Cc1ccc(NC(=O)c2ccc(Oc3ccc(O[C@H](C)C(N)=O)cc3)c([N+](=O)[O-])c2)cc1 462887753 LNEQOZCZFNHWOW-OAHLLOKOSA-N 435.436 4.200 5 20 IIBD C[C@H](C(=O)N(CCCOc1ccccc1)C1CCOCC1)c1ccc([N+](=O)[O-])cc1F 463884167 CZZFSEOSKFCLTA-KRWDZBQOSA-N 430.476 4.314 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 463972812 PABXDISSKYRAAH-QGZVFWFLSA-N 436.468 4.384 5 20 IIBD O=C(Nc1cccc(CC(F)(F)F)c1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 464428695 NISCNBFLZNOHTF-ZDUSSCGKSA-N 427.404 4.004 5 20 IIBD C[C@H]1CCN(CCOc2ccc(NC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 465182915 IIBPSAJCNFHGSN-INIZCTEOSA-N 447.919 4.376 5 20 IIBD CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)O[C@H](C)C2 466287324 MMUFGBUGPPHNAU-PZPSRYQVSA-N 430.888 4.390 5 20 IIBD C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)c1nnc2n1CCC2 466800996 JOEYAFPZCMNZPH-LBPRGKRZSA-N 443.916 4.428 5 20 IIBD O=C(N[C@H]1CCc2n[nH]cc2C1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 467642129 VHDFFQKCGWYOTF-AWEZNQCLSA-N 428.901 4.410 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(CSC2CCCC2)c1 467990902 RICWBLFPSARXCX-UHFFFAOYSA-N 427.526 4.068 5 20 IIBD CCNc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)cc1[N+](=O)[O-] 468077050 BVBJAOXNHFZWEM-OAQYLSRUSA-N 432.480 4.006 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C 469451013 WWDDDCANHNKJBJ-MRXNPFEDSA-N 426.395 4.047 5 20 IIBD CN(C(=O)c1cccc(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1)c1ccccc1 470607563 BNOJCBOONKNCEM-UHFFFAOYSA-N 446.463 4.167 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 470960659 SUYQZXYXTISQFF-UHFFFAOYSA-N 436.386 4.146 5 20 IIBD CSc1ccccc1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1I 471310633 PDVFJDXOEUDYAG-UHFFFAOYSA-N 442.278 4.194 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 471876876 ZMGKEODRAJYNKQ-KRWDZBQOSA-N 438.292 4.365 5 20 IIBD CCCOc1ccc(CNC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)c(OC(F)F)c1 472653737 WQNRKXKRBMKRQF-UHFFFAOYSA-N 447.394 4.169 5 20 IIBD Nc1c(C(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)cc(F)cc1[N+](=O)[O-] 472979338 PZHWMLXKBKEUNH-UHFFFAOYSA-N 442.274 4.444 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 473621814 VWJOMNGQCMBEAH-APPDUMDISA-N 446.232 4.036 5 20 IIBD CCc1onc(-c2ccccc2Cl)c1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 476049403 IXBVJNRZBZZWMP-CYBMUJFWSA-N 441.875 4.187 5 20 IIBD O=C(N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1ccc(NC2CC2)c([N+](=O)[O-])c1 478475446 WIFMQZYOZWUYIE-INIZCTEOSA-N 443.809 4.305 5 20 IIBD Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C 480075340 UVNHNCMJKIUHLP-UHFFFAOYSA-N 436.472 4.029 5 20 IIBD COc1ccc(Oc2ccc(NS(=O)(=O)c3c(C)ccc(C)c3[N+](=O)[O-])cn2)cc1 480225075 LZXXTAGUZKWWSE-UHFFFAOYSA-N 429.454 4.208 5 20 IIBD CCC[C@H](NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1cccc([N+](=O)[O-])c1 480330855 HYILQEURCRLDDA-QFIPXVFZSA-N 431.558 4.187 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC(F)(F)C1 485407359 GPDHEOJKDCHSKB-CYBMUJFWSA-N 441.456 4.252 5 20 IIBD C[C@H]1C[C@@H](CCNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CN1Cc1ccccc1 485512834 AQADSAWYUWJJSJ-DOTOQJQBSA-N 433.455 4.227 5 20 IIBD COc1ccccc1O[C@H](C)CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 485718941 LDFJQVVNMMGNNF-QGZVFWFLSA-N 436.464 4.380 5 20 IIBD CSc1cccc(C(=O)Nc2ccc(C)c(I)c2)c1[N+](=O)[O-] 485733867 UCGAROYRLBOAOZ-UHFFFAOYSA-N 428.251 4.482 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1nn(-c2ccccc2)c2c1CCC2 486714878 SUBVQTCAMMHOBB-UHFFFAOYSA-N 430.386 4.218 5 20 IIBD COC(=O)c1cc(NC(=O)N(C)Cc2cccc(C(F)(F)F)c2)c(C)c([N+](=O)[O-])c1 486878436 FXYPEXZKAWTNRI-UHFFFAOYSA-N 425.363 4.373 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)Cc2csc(NC(=O)c3ccccc3F)n2)cc1[N+](=O)[O-] 488093555 PGBXAFXZNHESSD-CYBMUJFWSA-N 442.472 4.171 5 20 IIBD CC(C)[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc2c(c1)OCCO2 489813585 VMEGGMFPTYQMQS-JOCHJYFZSA-N 425.485 4.437 5 20 IIBD CCOCCOc1ccc(Br)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1C 490290403 SGTUNUIOUTVCGR-UHFFFAOYSA-N 437.290 4.262 5 20 IIBD Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 490499097 IGXHSMHUNOHCDM-UHFFFAOYSA-N 446.920 4.064 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C 491586973 STDRIFUWWWULSR-QGZVFWFLSA-N 445.541 4.335 5 20 IIBD COc1ccc(-c2cc(NCc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)n(CCO)n2)cc1 492462668 NKBFRLWYXWFSFU-UHFFFAOYSA-N 434.452 4.331 5 20 IIBD CCC[C@]1(C(F)(F)F)CCCN1C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 494684799 KKJUKNXKAXEUAL-QGZVFWFLSA-N 443.451 4.212 5 20 IIBD CS(=O)(=O)c1cccc(Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)c1[N+](=O)[O-] 497535662 XDKMDLBJUMJRGJ-LJAQVGFWSA-N 444.534 4.191 5 20 IIBD O=C(NCCCCCC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)NC1CCCCC1 498153355 OPIMCVYHPYQPFF-OAQYLSRUSA-N 448.589 4.361 5 20 IIBD CCCCCC(=O)NC1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 498466069 NIUCHOALFGZEFE-UHFFFAOYSA-N 430.530 4.019 5 20 IIBD CC(C)(C)C[C@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(F)cc1 500778965 XINGSRNEHRJDNO-INIZCTEOSA-N 433.505 4.219 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccccc1)c1cccc(Cl)c1 501410686 HBDAKBTYWBQYRT-QFIPXVFZSA-N 437.883 4.274 5 20 IIBD Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCCN1Cc1c(F)cccc1[N+](=O)[O-] 502362087 ROYWBJZPFKSMFC-NRFANRHFSA-N 428.439 4.249 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1 503835470 YOVVKFFYXUBTLP-CQSZACIVSA-N 442.337 4.337 5 20 IIBD CCOc1ccc([C@@H](C)NCc2ccccc2CN2C[C@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] 504900002 PMJURZOQUQFLLW-CEXWTWQISA-N 427.545 4.454 5 20 IIBD CCOc1ccc(C(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)cc1[N+](=O)[O-] 505789736 MNSGTQVHDDDJSX-UHFFFAOYSA-N 440.500 4.060 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(=O)N1CCc2c(F)cccc21 506358357 UBBCZIMHUHDFMY-UHFFFAOYSA-N 443.481 4.474 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NCCCc1nccs1 508310373 RFBNTUDNOZUBNU-UHFFFAOYSA-N 447.520 4.196 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@@]4(CCN(Cc5ccccc5)C4)C3)o2)c1 512259449 KMTUFMUZZHAYGO-RUZDIDTESA-N 432.524 4.390 5 20 IIBD COc1cccc2c1CCCCN2S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 513844136 OQXUJDBKSANSOV-UHFFFAOYSA-N 430.404 4.154 5 20 IIBD O=C(CNc1cc([N+](=O)[O-])ccc1OC(F)F)N1N=C(c2ccco2)C[C@H]1c1ccco1 515664921 SEVQXKOEUQOGSG-HNNXBMFYSA-N 446.366 4.172 5 20 IIBD Cc1ccc(NC(=O)CCC[S@@](=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 518357630 VJIMIPUCNUGDMO-RUZDIDTESA-N 425.304 4.192 5 20 IIBD CC[C@@H](C)NC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c(C)c1 520592565 ZHAUCDZUZUGYNU-ZIAGYGMSSA-N 433.892 4.491 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCCCC[C@H]2c2ccccc2)cc1OC 521386440 BACHHPDLMDPXBL-IBGZPJMESA-N 428.485 4.386 5 20 IIBD CC(C)Cc1nnc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)s1 522887172 PAXNROGWYRMHOH-UHFFFAOYSA-N 441.300 4.390 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)NC(C)(C)c2cccc(Cl)c2)cc1[N+](=O)[O-] 523094140 ZLTWQBIKUWETMV-UHFFFAOYSA-N 431.905 4.193 5 20 IIBD COc1ccc(CC[C@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1OC 523824309 ANRFQQAOHHZYEG-GOSISDBHSA-N 448.541 4.096 5 20 IIBD COc1cc(C(=O)NC[C@@H](C)N(C)C2CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 524350330 IECHHLYLAVCRHZ-CYBMUJFWSA-N 433.892 4.262 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCC(N4CCCC4=O)CC3)cc2[N+](=O)[O-])cc1 524556233 GHMOLWORZJERIQ-UHFFFAOYSA-N 439.537 4.281 5 20 IIBD C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1cccc(NC(=O)Cc2ccccc2F)c1 525140882 URMPRMJFNDBHIG-INIZCTEOSA-N 435.455 4.335 5 20 IIBD COc1cc(C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)ccc1[N+](=O)[O-] 525580531 ZPZBABWZPMFPKE-UHFFFAOYSA-N 445.273 4.057 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Br)cc2)c(F)c1 530729272 OHSMSIGVQCKATJ-OAHLLOKOSA-N 429.267 4.022 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc1[N+](=O)[O-] 533917199 GEAVDZDDYOODQS-IFXJQAMLSA-N 435.427 4.349 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]1Cn1cnc2ccccc21 535195649 JGSRWUXXTHCBFX-CQSZACIVSA-N 429.274 4.012 5 20 IIBD CCCN1C(=O)CCc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3Br)ccc21 536940401 MSZZNBOCQITKFF-UHFFFAOYSA-N 432.274 4.299 5 20 IIBD Cn1cnc([N+](=O)[O-])c1CN[C@@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1 538218829 KBLPFJSSMLKZEN-KRWDZBQOSA-N 438.381 4.396 5 20 IIBD CC[C@@H]1CC[C@H](C)N1C(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 539017622 AZXCQUKARKMULR-MAUKXSAKSA-N 431.514 4.107 5 20 IIBD O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1[N+](=O)[O-] 540444394 GCOWVPKRDITNNL-HOCLYGCPSA-N 425.666 4.271 5 20 IIBD CC(C)OCc1ccccc1CNC(=O)COc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 541292728 QGHQIKIDQFLDII-UHFFFAOYSA-N 426.391 4.234 5 20 IIBD CN(Cc1ccccc1Br)C(=O)CCNCc1ccc([N+](=O)[O-])cc1Cl 541540504 XYEYXNZMVGUGBN-UHFFFAOYSA-N 440.725 4.149 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCCN1Cc1ccc([N+](=O)[O-])cc1Cl 542041123 JJSATNHWZIKRTH-INIZCTEOSA-N 432.830 4.197 5 20 IIBD O=C1NCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@H]1c1ccccc1C(F)(F)F 542866440 CCSLBBGLCVQGCR-KRWDZBQOSA-N 449.410 4.142 5 20 IIBD C[C@]1(CCC(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)CCC(=O)N1 543374656 MPNALJOUEKJZJC-NRFANRHFSA-N 449.866 4.245 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(c2ncnc3cccc([N+](=O)[O-])c23)CC1 543436398 OMDCWQSBKZOFOU-UHFFFAOYSA-N 425.514 4.121 5 20 IIBD COc1cc(Cc2noc(-c3ccc([N+](=O)[O-])n3C)n2)cc(Cl)c1OCC(F)(F)F 544419900 RDWSMWPTBSJQMJ-UHFFFAOYSA-N 446.769 4.177 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CCC[C@@H]1[C@@H](O)C(F)(F)F 544552219 GCWZYXCTHIDINU-NVXWUHKLSA-N 432.464 4.405 5 20 IIBD O=C1Cc2cc(-c3noc(-c4ccc(NCc5ccccc5)c([N+](=O)[O-])c4)n3)ccc2N1 545571565 QMUKLYUVKFNXPV-UHFFFAOYSA-N 427.420 4.419 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3ccc(-n4cccn4)cc3)n2)c(Br)c1 545741749 AHJLCBKCTMAXIS-UHFFFAOYSA-N 426.230 4.184 5 20 IIBD O=[N+]([O-])c1ccc(-n2ccc(-c3nc(-c4ccc(OC5CCOCC5)cc4)no3)n2)cc1 545790131 FKGILVFKIMJLHS-UHFFFAOYSA-N 433.424 4.055 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1[N+](=O)[O-] 553016018 GQLSBBNYNINOOV-LSDHHAIUSA-N 434.480 4.366 5 20 IIBD O=[N+]([O-])c1cc2c(NC[C@@H]3CCN(c4ccc(Br)cc4)C3)ncnc2s1 553290705 FVSKDZFUFDLKHX-NSHDSACASA-N 434.319 4.300 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(Cn2cncn2)cc1 554155166 MEEWLXCRVLPUPF-UHFFFAOYSA-N 425.514 4.057 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)c1cccc2ccccc12 556504496 LAPCFXLLVPUJDV-GFCCVEGCSA-N 442.269 4.326 5 20 IIBD CC[C@H](CN(CC)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccccc1 556540133 YODRFZDASRZVLP-CQSZACIVSA-N 448.317 4.338 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1 557531155 RLFWLPBBEIVAHG-UHFFFAOYSA-N 440.359 4.029 5 20 IIBD C[C@@H](O)C[C@H]1CCCCCN1C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 557568506 DTYRGQRVQVXCAL-CHWSQXEVSA-N 441.315 4.243 5 20 IIBD CC[C@@H](c1ccccc1)N(CC)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 560181869 WSIZXANBVJYHTQ-KRWDZBQOSA-N 434.290 4.296 5 20 IIBD O=C(NCc1cc(F)c(C(F)(F)F)cc1F)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 569584636 CMVXGGYPQNNPCV-UHFFFAOYSA-N 426.301 4.008 5 20 IIBD O=C(COc1c(Cl)cc(Cl)c2cccnc12)Nc1cc2c(cc1[N+](=O)[O-])OCO2 576792724 VQNLXYVMCDNZMG-UHFFFAOYSA-N 436.207 4.196 5 20 IIBD Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 588939952 ZNCMRTITZFTNGA-LJQANCHMSA-N 449.429 4.204 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCO[C@H](c2ccc(F)c(F)c2)C1 589539410 RSILKQYTHQNDIR-QHCPKHFHSA-N 434.442 4.033 5 20 IIBD COc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1OC 598784013 OSMYKHDZDPHRPJ-UHFFFAOYSA-N 435.480 4.496 5 20 IIBD COC(=O)c1ccc(-c2csc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)n2)cc1 603453148 MHVFBXCMMVSBRJ-UHFFFAOYSA-N 438.465 4.332 5 20 IIBD COc1cc(OC)c(C2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC)CC2)c(OC)c1 603642384 HXGHCUNCZGHWNO-UHFFFAOYSA-N 445.472 4.041 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 603646082 KWQXFIGXASUXAW-UHFFFAOYSA-N 438.406 4.114 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccccc1-n1cccn1 603688899 UUYYIOOONXYEPW-UHFFFAOYSA-N 434.378 4.033 5 20 IIBD COc1cccc2c1O[C@@H](c1cn(-c3ccccc3)nc1-c1ccc([N+](=O)[O-])cc1)NC2=O 603805556 QBKSZMDAOQKOES-DEOSSOPVSA-N 442.431 4.277 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 603983141 KDWXNVTXBYLDCB-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD CCOc1cc(C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OC 604257197 AOGNFDXWXLCPGV-UWVGGRQHSA-N 444.328 4.205 5 20 IIBD O=C(NCc1cccc(OCC(F)F)c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 608808737 NTHBRNPYTLQFKH-UHFFFAOYSA-N 434.317 4.110 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCN(c4nc(C)cs4)CC3)c([N+](=O)[O-])c2)cc1 608972974 OAMSWYXNJLPICF-UHFFFAOYSA-N 437.525 4.247 5 20 IIBD Cc1cc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)ccc1C(=O)NC(C)C 609409052 OBHFSFPJDRAODW-UHFFFAOYSA-N 449.511 4.155 5 20 IIBD O=C(Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1)c1cnc2ccccc2n1 609817722 ZCQLGAHJKQNZIW-UHFFFAOYSA-N 426.392 4.236 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl 609847785 JIHIUQDMWQOOCC-YGRLFVJLSA-N 428.320 4.054 5 20 IIBD O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)c1cc(Cl)cc([N+](=O)[O-])c1 609857023 QMHFKWDTNFWGST-UHFFFAOYSA-N 433.855 4.426 5 20 IIBD C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1cc2c(cc1Br)OCCO2 610041474 SHRBENIOHASUHA-GFCCVEGCSA-N 449.301 4.284 5 20 IIBD C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 610066507 JBYKEUJYFZOQQR-QGZVFWFLSA-N 425.529 4.150 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CN(Cc2ccccc2)CCO1 610158304 VOERNZNODBOEQO-QHCPKHFHSA-N 433.464 4.227 5 20 IIBD C[C@@H](c1ccccc1)n1ccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 610745401 JQAVGCUSCSDLRZ-KRWDZBQOSA-N 435.484 4.476 5 20 IIBD O=C(CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc(Br)cc1 726606336 GCEZZYMWJPSZNE-UHFFFAOYSA-N 430.258 4.346 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2 727249567 BKNBBYZQEYIXSM-ZDUSSCGKSA-N 433.486 4.264 5 20 IIBD Cc1nc(N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cc(C(F)(F)F)n1 727433475 ZHRPIZRPASSHOF-UHFFFAOYSA-N 435.328 4.057 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@H]32)cc1SC 728462714 RNHJZQFGISCQBH-SJLPKXTDSA-N 427.526 4.082 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)N[C@@H](C)c2ccccc2C)cc1SC 728655585 CZNKXAFQROCPBX-KBPBESRZSA-N 432.498 4.056 5 20 IIBD O=C(NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)Nc1ccc([N+](=O)[O-])cc1 728941444 CATGVHNDYADVCV-HNNXBMFYSA-N 437.296 4.185 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)N(Cc1ccc2c(c1)OCO2)c1ccc(F)cc1 729952836 AAXUACYILRTGSJ-UHFFFAOYSA-N 442.374 4.214 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N[C@H](c1ccccc1)C1CCCCC1 731050556 AOWXWHKKQCZDDD-OAQYLSRUSA-N 429.904 4.416 5 20 IIBD COCCN(C(=O)CCc1csc(C)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 733089630 LTJMDFPHZNUPMW-UHFFFAOYSA-N 432.527 4.095 5 20 IIBD CS(=O)(=O)Nc1cccc(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1 735273903 SSDVLUFMVYREKV-UHFFFAOYSA-N 427.438 4.011 5 20 IIBD C[C@@H]1c2ccc(F)cc2CCN1C(=O)c1cc([N+](=O)[O-])ccc1I 737698506 PAASBWGUQKPTBN-SNVBAGLBSA-N 440.212 4.098 5 20 IIBD CC(C)c1c(C(=O)OCc2ccc([N+](=O)[O-])cc2Br)cnn1-c1ccccn1 739579467 XKTPLJLWXLEOQH-UHFFFAOYSA-N 445.273 4.418 5 20 IIBD Cc1ccc(-c2csc(NC(=O)COC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)n2)cc1 740394470 GOEQOZCXEHXZPP-UHFFFAOYSA-N 439.493 4.486 5 20 IIBD COc1cc(N2CCC(OC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)CC2)ccc1[N+](=O)[O-] 740561370 FFVJPCQSNQOVIU-UHFFFAOYSA-N 443.456 4.001 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC[C@H]1CCCO[C@@H]1c1ccc(C)cc1 742430176 IGENJNGMFILWJX-FOIQADDNSA-N 429.429 4.178 5 20 IIBD O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1c[nH]nc1-c1cccc(OC(F)F)c1 743326246 WYRFEWIOXCTLGD-UHFFFAOYSA-N 440.366 4.229 5 20 IIBD C[C@@H](OC(=O)CCNc1ccccc1[N+](=O)[O-])c1nc(Cc2ccc(Cl)cc2)no1 744541942 IRRBCVOBQUPAEV-CYBMUJFWSA-N 430.848 4.328 5 20 IIBD C[C@@H](OC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 744740910 MXONMUXMYKNZAA-GHMZBOCLSA-N 427.240 4.239 5 20 IIBD CCNC(=O)COc1ccc(CNC(=O)c2c3ccccc3cc3ccccc23)cc1OC 746515168 MQKUHQXFRMSHIM-UHFFFAOYSA-N 442.515 4.447 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2ccnc(Cl)c2N)c2ccccc2)c([N+](=O)[O-])c1 749308454 YWDUSSGBZSEMEX-GOSISDBHSA-N 440.843 4.071 5 20 IIBD O=C(N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1cc([N+](=O)[O-])ccc1Br 751095946 PFKRGEVADKEYEW-GOSISDBHSA-N 433.258 4.010 5 20 IIBD CC(C)(C(=O)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 751411321 KVAMLPBZVOKLGV-SFHVURJKSA-N 430.810 4.092 5 20 IIBD CCN(C(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)c1ccccc1 751691611 KUDLOBLJZOXNNA-NSHDSACASA-N 439.237 4.095 5 20 IIBD COc1ccc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1OC1CCCC1 751961190 AHIDJTCAYZVJNS-UHFFFAOYSA-N 429.425 4.148 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)OCc2noc(-c3cccs3)n2)CC1 753227905 PRVZTMJCZCOYPQ-UHFFFAOYSA-N 428.470 4.300 5 20 IIBD CCOc1cccc(CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1OC(F)F 756978428 IOKYMKIXHHTYHY-UHFFFAOYSA-N 439.371 4.050 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1cccc(COc2ccccc2)c1 757275629 LHEQACACXSOEGF-UHFFFAOYSA-N 439.855 4.082 5 20 IIBD CC(C)(C)C(=O)N1CCC(COC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 762947945 SISFLBQLKGZZFM-UHFFFAOYSA-N 428.938 4.168 5 20 IIBD Cc1ccc(C(=O)N2CCC[C@H](COC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)C2)o1 763022236 VDZOUENDOUWBLC-HNNXBMFYSA-N 432.448 4.009 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc2cc(Br)ccc2c1 763799745 FEGKISPSISJSHP-UHFFFAOYSA-N 442.225 4.057 5 20 IIBD CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 763874158 BKBOFNQNCXOPOK-CVEARBPZSA-N 436.468 4.478 5 20 IIBD CCS[C@@H](C)c1noc(COC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)n1 767231157 FPSYOGRDPOFMHF-AWEZNQCLSA-N 434.518 4.385 5 20 IIBD O=C(NC1CC1)c1ccc(CN(Cc2c(Br)cccc2[N+](=O)[O-])C2CC2)cc1 768424021 LMEPXVAVBDETBH-UHFFFAOYSA-N 444.329 4.414 5 20 IIBD CCOc1cc(COC(=O)c2cnc(-c3ccc(OC)c(OC)c3)s2)ccc1[N+](=O)[O-] 769432650 MYXNQRRAFYEGQQ-UHFFFAOYSA-N 444.465 4.491 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cc(Cl)cc(Br)c1F 769516470 QIFIWCLMVYMIIB-UHFFFAOYSA-N 445.628 4.254 5 20 IIBD COc1ccccc1COC1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 769956634 GQKYNCCMMFVDCL-OAHLLOKOSA-N 447.919 4.265 5 20 IIBD O=C(Nc1ccnn1Cc1cccc(Br)c1)c1cc(F)c([N+](=O)[O-])cc1F 770074607 IJDAXOUTQZJKFB-UHFFFAOYSA-N 437.200 4.133 5 20 IIBD Cc1cc(C)cc(OCc2noc(COC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)n2)c1 778886533 AHJPSXYILBVCFR-UHFFFAOYSA-N 449.366 4.132 5 20 IIBD C[C@H](OC(=O)c1cccc(Br)c1Cl)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 780132120 URISAFIDRHBTJR-QMMMGPOBSA-N 445.628 4.334 5 20 IIBD CN(C[C@@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1)C(=O)OC(C)(C)C 780464661 YMWYPLRGKCQZPL-KRWDZBQOSA-N 449.551 4.400 5 20 IIBD O=C1CCCN1CC[C@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])c2ccccc21 780779102 OARJKEAJZKYLFT-HNNXBMFYSA-N 444.329 4.474 5 20 IIBD O=C(Nc1cccc(CSC2CCOCC2)c1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781675690 XBXGNCSRQYYFCP-OAQYLSRUSA-N 441.509 4.139 5 20 IIBD COc1ccc(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(OC(C)C)c1 789213639 CJPOUZWBUPVOBX-CYBMUJFWSA-N 427.413 4.359 5 20 IIBD O=C(NC[C@@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1)OCc1ccccc1 794034010 QKOFZXFKKRCZPD-KRWDZBQOSA-N 437.452 4.120 5 20 IIBD C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H](c2cccc(C(F)(F)F)c2)O1 795073235 HHJXLJDBJIEDAE-SGTLLEGYSA-N 425.363 4.484 5 20 IIBD Cc1cc2cc(NS(=O)(=O)c3cc(Br)c(F)cc3[N+](=O)[O-])ccc2[nH]1 795290162 KVMGADQNVVQWBS-UHFFFAOYSA-N 428.239 4.087 5 20 IIBD Cc1cc(Oc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)cc2)n[nH]1 795333496 YXYADFQPJWUYFW-UHFFFAOYSA-N 426.813 4.012 5 20 IIBD C[C@@H](OC(=O)CCCC1CCOCC1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 798736898 QBPZFAAWNZGQOK-CQSZACIVSA-N 447.513 4.185 5 20 IIBD CCCc1noc2nc(CC)cc(C(=O)OCC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])c12 800324007 IBFDIKFGMOUUHK-UHFFFAOYSA-N 446.847 4.095 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1ccc2cc(OC)ccc2c1 802445860 SPXLMWCLOXMSKG-UHFFFAOYSA-N 447.495 4.298 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H](c1ccccc1)[C@H](O)c1ccccc1 808342257 SLEUBVHFUIOFJY-RBUKOAKNSA-N 432.885 4.001 5 20 IIBD COC(=O)c1sc2ccccc2c1S(=O)(=O)Oc1ccc(Cl)c([N+](=O)[O-])c1 808350012 SPKKDJKRBYZLRQ-UHFFFAOYSA-N 427.843 4.017 5 20 IIBD O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CC(c2c(F)cccc2F)=NO1 813306301 XQKGVVZLKUWSCH-QGZVFWFLSA-N 445.403 4.233 5 20 IIBD Cc1cc2cc(S(=O)(=O)Oc3ccc([N+](=O)[O-])cc3-c3cccs3)ccc2[nH]c1=O 820782162 XXEDPXCQTCDIDL-UHFFFAOYSA-N 442.474 4.241 5 20 IIBD Cc1c(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1-c1ccccc1F 844543421 JJRPIQFUCCNBGD-ZDUSSCGKSA-N 437.387 4.196 5 20 IIBD CC(C)(C)OC(=O)N(CCCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CC1 917305756 JZYKWQDBRWLDED-UHFFFAOYSA-N 449.551 4.061 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 917341852 IEAWQTWACXCGLI-UHFFFAOYSA-N 430.804 4.317 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)O[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 919228155 FOEXLGHNTHLLLQ-JTQLQIEISA-N 441.318 4.014 5 20 IIBD Cc1cc(NC(=O)[C@H](C)OC(=O)c2cc3cc([N+](=O)[O-])ccc3[nH]2)ccc1Br 919513545 CJYCQULQKNTXBB-NSHDSACASA-N 446.257 4.331 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Oc2cccc(C(=O)N(C)C)c2)cc1[N+](=O)[O-])c1ccccn1 920115884 NXPUJOMZCJRPOV-OAHLLOKOSA-N 434.452 4.084 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1cccc(N2CCCC2=O)c1 920947902 YPUYKWUTQGIJLT-KRWDZBQOSA-N 436.512 4.203 5 20 IIBD Cc1ccc(CNC(=O)c2cccc(CNC(=O)N3Cc4ccc([N+](=O)[O-])cc4C3)c2)cc1 1318840154 SEIFTCNRLFVTAG-UHFFFAOYSA-N 444.491 4.059 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CC(Cc2ccccc2C(F)(F)F)C1 1319102687 BHOUHLLAXOLUKA-UHFFFAOYSA-N 431.370 4.182 5 20 IIBD COc1ccccc1SCc1nnc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)o1 1324229061 OHCRKRYVPXYQAA-LBPRGKRZSA-N 446.510 4.318 5 20 IIBD COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)Cc1ccc([N+](=O)[O-])cc1Br 1325786534 VGSGQQDDHZYVDV-INIZCTEOSA-N 447.207 4.121 5 20 IIBD C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1339345180 HZJZLMYIPUVLFR-MRXNPFEDSA-N 435.446 4.137 5 20 IIBD COc1cccc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1Br 1342822799 POIGNYOUMQSCJM-UHFFFAOYSA-N 428.670 4.384 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)Cc4cccc([N+](=O)[O-])c4)cc3)CCC2)cn1C 1785791845 NHEHAPIVKJKJLZ-UHFFFAOYSA-N 446.507 4.232 5 20 IIBD COCCCC(=O)Nc1ccc(C2(NC(=O)CCc3cccc([N+](=O)[O-])c3)CCC2)cc1 1786043520 NXFVKZMJSDGABD-UHFFFAOYSA-N 439.512 4.088 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccc(C2(NC(=O)[C@H]3C[C@H]3C3CC3)CCC2)cc1 1786205825 RHIDOVAQUDUDAV-ILUDYIOVSA-N 435.480 4.381 5 20 IIBD Cc1ccnc(C(=O)NC2(c3ccc(NC(=O)c4cc(O)cc([N+](=O)[O-])c4)cc3)CCC2)c1 1790755289 XHQMUMPXVAPUOU-UHFFFAOYSA-N 446.463 4.065 5 20 IIBD C[C@H](CC(=O)N1CCC2(CCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)CC1)c1ccccc1 1804654353 WHKOQZPQDQJSCQ-GOSISDBHSA-N 439.512 4.226 5 20 IIBD CC/C=C(\C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1832513572 ZWZDVVQVALMFKP-BLJICVJPSA-N 427.545 4.113 5 20 IIBD O=C(COC(=O)Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(F)cc1Cl 11275898 HYDMAFOGEHNULF-UHFFFAOYSA-N 438.842 4.129 5 20 IIBD Cc1cc(-c2cc(C(=O)NCCNc3ccccc3[N+](=O)[O-])c3c(C)noc3n2)c(C)o1 12734627 QFBDRMDMNMSADV-UHFFFAOYSA-N 435.440 4.158 5 20 IIBD O=C(COc1ccc(Br)cc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 14376774 VIXYPUKFSFZBOT-UHFFFAOYSA-N 434.271 4.498 5 20 IIBD O=C(c1ccccc1)c1ccc(N2CCC(C(=O)Nc3ccccc3O)CC2)c([N+](=O)[O-])c1 15141465 LBMNEBASJOGSJB-UHFFFAOYSA-N 445.475 4.387 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1ccc(Br)s1)c1ccccc1[N+](=O)[O-] 16144734 TXRIZBXIRRFDOV-LBPRGKRZSA-N 441.303 4.232 5 20 IIBD C[C@H](OC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 18026163 GONNLZYQUCEWRC-ZDUSSCGKSA-N 429.429 4.126 5 20 IIBD CCCn1c(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)nc2ccccc2c1=O 23300750 DWVAZKQKSOXOSG-AWEZNQCLSA-N 426.498 4.142 5 20 IIBD O=C(OCc1csc(-c2ccc(F)cc2)n1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 23969259 JTFVFYOFZXEGOC-UHFFFAOYSA-N 443.456 4.051 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)NCCc2ccc(F)cc2)cc1[N+](=O)[O-] 24738262 LBCHHTDKHAYHJQ-UHFFFAOYSA-N 435.455 4.003 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nc2cc3ccccc3cc2c(=O)n1C 24969830 LROLUKFLUOJQIS-UHFFFAOYSA-N 434.477 4.034 5 20 IIBD Cc1c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cnn1-c1ccc(Cl)cc1 25773890 LBIVXZNBJYRIFU-UHFFFAOYSA-N 449.250 4.191 5 20 IIBD O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCO2 27805941 REALQNHBPLYDOO-UHFFFAOYSA-N 442.431 4.106 5 20 IIBD C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 32249576 WLAXCGQSZAGKIR-IRXDYDNUSA-N 447.495 4.151 5 20 IIBD CNS(=O)(=O)c1ccc(N2CCC(c3cccc4ccccc34)CC2)c([N+](=O)[O-])c1 58544813 ASBIXSNAUNZQNY-UHFFFAOYSA-N 425.510 4.040 5 20 IIBD COc1cc(C(=O)N[C@@H]2CCN(C3CC3)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 60470326 IKAXJMVJNQZIMG-OAHLLOKOSA-N 431.876 4.016 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2C(=O)N2CCCCCC2)c1 60487425 QCYGUJVRTVLDTG-UHFFFAOYSA-N 431.514 4.029 5 20 IIBD CCCOc1ccc([C@@H](C)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1OC 107907012 VRJPSIPXAOFMSE-MRXNPFEDSA-N 427.501 4.483 5 20 IIBD CCOc1ccc(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)cc1[N+](=O)[O-] 108926479 NTUUQMBGCSQUDR-CQSZACIVSA-N 448.317 4.012 5 20 IIBD O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)CC3 214743849 JUSPEEHPLLKEDD-KAMYIIQDSA-N 429.388 4.207 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNCc2cccc3c2OCO3)cc1 238011407 BCUVEDFGDGCCGK-UHFFFAOYSA-N 428.448 4.466 5 20 IIBD O=C(NC1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1)c1ccsc1 301119875 WYWPYRIHQQRIMN-UHFFFAOYSA-N 435.505 4.286 5 20 IIBD Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 303737759 XWTQOKUGJLHXNH-NSHDSACASA-N 449.945 4.463 5 20 IIBD CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 303972449 UBXYXUFQZDNWFC-GOSISDBHSA-N 439.541 4.276 5 20 IIBD CN(Cc1cccc(Br)c1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 388491105 MILQNEJCKHNGTR-UHFFFAOYSA-N 428.080 4.392 5 20 IIBD CN(C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)C1CCN(c2cccnn2)CC1 426918212 YUHOBMCAHGHXDG-UHFFFAOYSA-N 449.536 4.277 5 20 IIBD CCOc1cc(CS(=O)(=O)[C@@H](C)c2ccc(Br)cc2)ccc1[N+](=O)[O-] 427155704 QWTSVOXDQJSMLR-LBPRGKRZSA-N 428.304 4.432 5 20 IIBD O=C(Nc1cc(-c2ccc(Br)o2)no1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 427668532 ORZVMKWBTSDFCE-UHFFFAOYSA-N 447.245 4.458 5 20 IIBD COc1ccc(CNC(=O)NCC2(c3cc(F)cc(C(F)(F)F)c3)CC2)cc1[N+](=O)[O-] 429155697 KEFGHQLGHNGNSG-UHFFFAOYSA-N 441.381 4.292 5 20 IIBD CN(C)C(=O)CN(C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 429613405 TVNSTTHDNJNAQG-UHFFFAOYSA-N 435.505 4.481 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@H]3Cc4cccc(O)c4C3)cc2[N+](=O)[O-])n1 430231677 CXTORAWGRLHRFT-AWEZNQCLSA-N 427.507 4.114 5 20 IIBD CC[C@@H](CNC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)Oc1cccc(C(F)(F)F)c1 431435066 YLJMUXMWFRNZJU-AWEZNQCLSA-N 449.385 4.455 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N(CCc1ccccn1)Cc1cccnc1 431935364 GGQZHCLYPOUZIM-UHFFFAOYSA-N 443.410 4.263 5 20 IIBD COc1cc(CN2CCC(C(=O)c3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1OC(F)F 434660098 ATXWEKHHTSYBRQ-UHFFFAOYSA-N 438.402 4.439 5 20 IIBD CN(C)[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1cccc(F)c1 435832052 YJCBSRIXLJNALP-OAQYLSRUSA-N 439.437 4.131 5 20 IIBD COc1cc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc(OC)c1OC 435939305 XBLHECLZAMLOPW-UHFFFAOYSA-N 440.402 4.238 5 20 IIBD CCn1c(S[C@H](Cc2c(F)cccc2F)C(C)=O)nnc1-c1ccc([N+](=O)[O-])cc1 436204401 MHJGIRKVYIMHNG-GOSISDBHSA-N 432.452 4.444 5 20 IIBD COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1O)CCO2 436976140 AQVGLRQUHCTTBT-OAQYLSRUSA-N 434.448 4.475 5 20 IIBD Cc1cc(C)c(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(Br)c1 437048702 VWMNLDVGSMPLOE-UHFFFAOYSA-N 446.301 4.104 5 20 IIBD CC[C@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])Oc1cccc(F)c1 439833323 FOUUFZMTKIVVOS-CYBMUJFWSA-N 430.354 4.262 5 20 IIBD O=[N+]([O-])c1cccc(N2CCN(Cc3ncc(-c4cccc(Br)c4)o3)CC2)c1 441191650 CFZRVCWFTHVFLW-UHFFFAOYSA-N 443.301 4.335 5 20 IIBD CCCN(C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1cccc([N+](=O)[O-])c1 441464794 IYIAGIOKAJDFLR-UHFFFAOYSA-N 442.475 4.410 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 444628650 DIURXLVHCWCERR-UHFFFAOYSA-N 432.280 4.439 5 20 IIBD C[C@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCN1Cc1ccccc1 445942159 ATGKMARWKHNOOK-YJBOKZPZSA-N 446.345 4.069 5 20 IIBD CC(=O)c1c(C)cccc1NC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C 446306712 BUUCHTROYARZOL-IBGZPJMESA-N 431.876 4.152 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(Cl)cc1Cl 447364406 CRSSJGQORPHSLI-QMMMGPOBSA-N 448.209 4.319 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCC2(SC)CCOCC2)cc1 460653423 FPSFQJSQKIPWBI-UHFFFAOYSA-N 432.498 4.038 5 20 IIBD O=C(CCc1nc2ccccc2n1-c1ccccc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 461411979 WHCOASLDEDRFEO-UHFFFAOYSA-N 442.475 4.288 5 20 IIBD CS[C@H]1CCCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCCO2)C1 461833721 PEYAZDQHIYLLRF-OALUTQOASA-N 431.562 4.144 5 20 IIBD O=C(NCc1cc(Br)c2c(c1)OCO2)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 463662455 FPLLTLMHIRMKSU-UHFFFAOYSA-N 447.163 4.035 5 20 IIBD O=C(Nc1ccc(Cc2nnc3n2CCCCC3)cc1)c1ccc([N+](=O)[O-])c2cccnc12 464122212 MMRNRHGBMWQZEP-UHFFFAOYSA-N 442.479 4.304 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3nc4c(Cl)cccc4n3C)cc2)c(C)c1[N+](=O)[O-] 464446592 KKAQCYKMSWYYDU-UHFFFAOYSA-N 438.875 4.249 5 20 IIBD O=C(Nc1nc2ccc(Br)cc2[nH]1)c1ccc([N+](=O)[O-])cc1Br 464578571 NSVAZBBYHMDULN-UHFFFAOYSA-N 440.051 4.248 5 20 IIBD C[C@H](CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)COCc1ccccc1 465744406 CVGXKLFYWDSTGV-GOSISDBHSA-N 427.501 4.001 5 20 IIBD CC[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 466876203 FCJCISIFAJUGEU-QMMMGPOBSA-N 429.829 4.153 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(CCC(=O)N2CCCC2)cc1 467172326 NNWYEHZFRSSUGL-UHFFFAOYSA-N 430.892 4.125 5 20 IIBD COc1cc(CCNC(=O)N[C@H](c2ccc(F)cc2F)C(C)C)c([N+](=O)[O-])cc1OC 468313429 UPIAKIKWDUSQPU-FQEVSTJZSA-N 437.443 4.129 5 20 IIBD COc1ccc(NC(=O)CN2CCC[C@@H]2c2nc3ccccc3n2C(C)C)c([N+](=O)[O-])c1 471020196 VOKODMLJQXVMCG-HXUWFJFHSA-N 437.500 4.310 5 20 IIBD O=C(Nc1nnc(-c2ccc(Cl)cc2F)s1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 473382857 CDCVRCXNZRUWFF-UHFFFAOYSA-N 445.819 4.412 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)cc1[N+](=O)[O-])c1ccccn1 478974012 XLDIXURHDYFDQA-AWEZNQCLSA-N 446.467 4.393 5 20 IIBD CCn1c(SCCC(=O)Nc2cccc(F)c2C)nnc1-c1ccc([N+](=O)[O-])cc1 480370344 GGFFEYSZJHCQOW-UHFFFAOYSA-N 429.477 4.442 5 20 IIBD Cc1ccc(-n2cnc3c2CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C3)cc1 488077365 QPGRFKIYJPZIFV-OAHLLOKOSA-N 439.903 4.128 5 20 IIBD O=C(Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)c1cc([N+](=O)[O-])ccc1OC(F)F 489880474 DWDFYIIBRZQGNG-ZDUSSCGKSA-N 425.363 4.179 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N[C@@H](C)CCCC(F)(F)F)cc1[N+](=O)[O-] 494325195 CZJKGJXMRIGQLC-QMMMGPOBSA-N 433.246 4.065 5 20 IIBD Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1 499982224 KWXJDYSJSOKBOS-HXUWFJFHSA-N 430.464 4.407 5 20 IIBD CN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCN(Cc2ccccc2)CC1 502633597 AGGTWDXWCHSIDD-UHFFFAOYSA-N 434.443 4.325 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(I)cn1 503404655 TVIRNJPBUOPPML-UHFFFAOYSA-N 443.266 4.349 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 505158624 LILYELCMPZQNET-HNNXBMFYSA-N 448.504 4.312 5 20 IIBD COC(=O)c1ccc(CN(C)C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 506208770 XBHFEUYTQFOVRY-INIZCTEOSA-N 448.479 4.222 5 20 IIBD O=C(c1cccc(F)c1)N1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 506446866 ZJEYEMPTUZAABL-UHFFFAOYSA-N 440.500 4.206 5 20 IIBD O=C([C@H]1Cc2ccccc2CN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCCC1 506650557 ZQJZSUQVZRVXPV-JOCHJYFZSA-N 448.548 4.268 5 20 IIBD O=C(CCc1nnc(-c2cc(F)ccc2Br)o1)Nc1cccc([N+](=O)[O-])c1 508779857 QZQIAQHJHRHRFZ-UHFFFAOYSA-N 435.209 4.118 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N1CCCc2cc(F)c(F)cc21 508942340 QDUCNADKZOYAMG-UHFFFAOYSA-N 444.175 4.071 5 20 IIBD COCc1nc(OC)c2c(C)c(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)sc2n1 509709871 FRIINSPBPCNKND-UHFFFAOYSA-N 444.513 4.114 5 20 IIBD O=C(NCc1cc(F)ccc1Br)Nc1cc([N+](=O)[O-])ccc1OC(F)F 511539169 LFEVMKNYLYWWBL-UHFFFAOYSA-N 434.168 4.420 5 20 IIBD Cc1nn(C)c2n[nH]c(NC(=O)c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)c12 511762963 UMZKWQMSDQMTGJ-UHFFFAOYSA-N 426.820 4.211 5 20 IIBD CCn1c(SCC(=O)N2CCCc3c2cccc3[N+](=O)[O-])nnc1-c1cccs1 513840362 BAPLKYGRWRJTHZ-UHFFFAOYSA-N 429.527 4.006 5 20 IIBD C[C@@]1(C2CC2)NC(=O)N(c2cccc(CNc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)c2)C1=O 515417802 CHAYWACWGGOSIQ-FQEVSTJZSA-N 448.401 4.451 5 20 IIBD CCn1c2ccccc2c2cc(NC(=O)C(=O)N(C)Cc3ccccc3[N+](=O)[O-])ccc21 517279378 OKLJIKHCEHUNLD-UHFFFAOYSA-N 430.464 4.320 5 20 IIBD COc1ccc(CC(=O)NCc2ccc(C(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)cc2)cc1 517350502 VMBFGNTWPJDROW-UHFFFAOYSA-N 447.491 4.331 5 20 IIBD CC(=O)N1CCN(c2ccc(-c3nc(-c4cccc5ccccc45)no3)cc2[N+](=O)[O-])CC1 518343651 QFQPMSUHAGOLJJ-UHFFFAOYSA-N 443.463 4.134 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N(CCc3ccc(F)cc3)C3CC3)cc2)c(C)c1[N+](=O)[O-] 522585942 YQBVRPISNZISIS-UHFFFAOYSA-N 436.487 4.443 5 20 IIBD Cc1ccc([C@@H](C)N[C@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)cc1[N+](=O)[O-] 531443680 JJSREEWJGSKKCH-OSPHWJPCSA-N 447.491 4.340 5 20 IIBD CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)CCOc2ccccc2[N+](=O)[O-])cc1 532909911 SBJHMWYVOUYBHU-INIZCTEOSA-N 428.489 4.115 5 20 IIBD CCOc1cc(NC(=O)c2csc(-c3ccc(C)n3C)n2)c([N+](=O)[O-])cc1OCC 534759531 KQVIWTMIMLVMDA-UHFFFAOYSA-N 430.486 4.415 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CS(=O)(=O)c3nccn3-c3cccc(Cl)c3)co2)cc1 536305902 SYTNTPTWZPSJII-UHFFFAOYSA-N 444.856 4.063 5 20 IIBD COc1cc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])ccc1OCc1cscn1 537592080 KUHLJAUSMDFXGZ-UHFFFAOYSA-N 447.900 4.265 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC(C)(C)c3ccccc32)cc1OC 537701634 NDNORYZTRAKVAG-INIZCTEOSA-N 442.512 4.214 5 20 IIBD Cn1cc(CNc2cc(F)ccc2OC[C@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 538820440 MAGDNLPXCXHEOF-LJQANCHMSA-N 426.448 4.304 5 20 IIBD COc1ccc(C2=NN(C(=O)CN[C@@H](C)c3cccc([N+](=O)[O-])c3)[C@H](c3ccco3)C2)cc1 539277212 VVBCAPFDAQZTMN-AOMKIAJQSA-N 448.479 4.225 5 20 IIBD Cn1c(C(=O)Nc2cc([N+](=O)[O-])ccc2Nc2cccc(C(F)(F)F)c2)cccc1=O 539913590 WKCNTESLOMUPDD-UHFFFAOYSA-N 432.358 4.308 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 542252534 YWVWEBWVKKWNMA-UHFFFAOYSA-N 437.327 4.365 5 20 IIBD Cc1ccc(Br)cc1NC(=O)CCNc1ncnc2cccc([N+](=O)[O-])c12 543436995 OXFNGXLKIOQESN-UHFFFAOYSA-N 430.262 4.050 5 20 IIBD CCc1nc([C@@H](C)N[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cs1 544468610 FYYQIAYTGJJDFZ-NEPJUHHUSA-N 431.543 4.415 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1nc(-c2ccc(F)c(Cl)c2)cs1 545441247 UHOBCXSFUFZDPY-UHFFFAOYSA-N 427.866 4.453 5 20 IIBD Cn1cnnc1Sc1ccc(-c2nc(C(F)(F)c3ccc(F)cc3)no2)cc1[N+](=O)[O-] 545664040 YMOWIEYYEKHRBR-UHFFFAOYSA-N 448.386 4.204 5 20 IIBD CN(Cc1ccc(F)cc1F)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCO1 549586656 KWFCVPQQRFPYSZ-IBGZPJMESA-N 443.454 4.337 5 20 IIBD CC[C@@H]1CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@@H](C)[S@@]1=O 553065359 JCPSHWVALIFZAA-YKWSCYNLSA-N 436.917 4.412 5 20 IIBD CCc1cccnc1-c1noc(-c2cc([N+](=O)[O-])cc(I)c2C)n1 554809993 OTCLGDXNKOWWFF-UHFFFAOYSA-N 436.209 4.182 5 20 IIBD Cc1ccc(-c2noc(-c3cccc([N+](=O)[O-])c3N3CCOCC3)n2)cc1N1CCCC1 558386950 YMNKFHSOGYOHEP-UHFFFAOYSA-N 435.484 4.057 5 20 IIBD CC(=O)NCC[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 561713825 FMPZVZQLABTDCU-INIZCTEOSA-N 445.903 4.419 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(N3CCOCC3)c(F)c2)no1 564248796 FKYLPAVMTMCEJR-MRXNPFEDSA-N 426.448 4.357 5 20 IIBD CC(C)(C(=O)N1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1)c1ccccc1[N+](=O)[O-] 570180422 HDZZQSIVXVEVEK-INIZCTEOSA-N 442.491 4.072 5 20 IIBD C[C@@H](C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1)c1cccc([N+](=O)[O-])c1 577915340 AWGZKJVTNZQVLB-OAHLLOKOSA-N 446.345 4.242 5 20 IIBD CCOC(=O)c1sc(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])nc1C(F)(F)F 580987245 QURVBGOYWYNFCE-UHFFFAOYSA-N 435.405 4.221 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(C(=O)Nc2ccccc2OC)CC1 584321253 MCCLIWMCKCKYDM-UHFFFAOYSA-N 426.473 4.048 5 20 IIBD C[C@@H](NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(-c2ccncc2)cc1 588774942 YLWKZVZKTSIIJK-QGZVFWFLSA-N 444.491 4.025 5 20 IIBD CCOC(=O)c1cc(CC)sc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 603449188 OJFCBNTXVGQDOQ-UHFFFAOYSA-N 431.514 4.251 5 20 IIBD CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)c12 603693871 PKIJEFCKFKHIFQ-UHFFFAOYSA-N 435.484 4.094 5 20 IIBD CCc1c(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cnn1-c1ccc(Br)cc1 603738696 IDBNAJWBAMMDFM-UHFFFAOYSA-N 443.301 4.378 5 20 IIBD CCCNC(=O)c1ccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 604005957 TVXQOAQFPJWUHP-UHFFFAOYSA-N 441.431 4.484 5 20 IIBD CCOC(=O)c1cccc(N(CC)C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 604026711 YBNMATAIBUSRQV-UHFFFAOYSA-N 440.374 4.379 5 20 IIBD Cc1ccc(C(=O)Nc2cccc(CNC(=O)NCCNc3ccccc3[N+](=O)[O-])c2)cc1 604077727 XUXNBZXTZKUFKS-UHFFFAOYSA-N 447.495 4.067 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCN(C(=O)c2cccc(Cl)c2)CC1 609193802 JMKWIGKAQAGHSK-UHFFFAOYSA-N 431.920 4.384 5 20 IIBD C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCc2[nH]c3ccc(Br)cc3c2C1 609197370 QXWQNMINXWTIIM-GFCCVEGCSA-N 443.301 4.224 5 20 IIBD CC[C@H](NC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc(C)cs1 609199901 XEJQBTVBHIKKQG-LBPRGKRZSA-N 431.440 4.241 5 20 IIBD O=C(Nc1ccc(Oc2ccncc2)cc1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 609502565 JMKAMJHITNWXID-KRWDZBQOSA-N 438.465 4.087 5 20 IIBD Cc1ccc(COc2c(C)cc(CN(C)C(=O)Cn3cc([N+](=O)[O-])nc3C)cc2C)cc1 609646947 LTKAVDIFZWSRPB-UHFFFAOYSA-N 436.512 4.263 5 20 IIBD CN1CCN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c2ccccc21 609860637 DHUSTAPPWQWDAC-UHFFFAOYSA-N 432.267 4.184 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCCCc3nc4ccccc4n3C)cc2[N+](=O)[O-])C1 609879040 FFJDISGGLPTKIF-ROUUACIJSA-N 449.555 4.326 5 20 IIBD COc1cc(CCNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)ccc1C 610155133 WXROLKPJVRXICW-QGZVFWFLSA-N 434.496 4.452 5 20 IIBD COc1cc(C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)cc([N+](=O)[O-])c1OC 610167895 AVOSADHCLOLBQN-CQSZACIVSA-N 443.481 4.048 5 20 IIBD O=C(N[C@@H]1CCN(c2ncccc2F)C1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611206752 DAEVXXKTLJBFOM-CQSZACIVSA-N 430.505 4.172 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 611768637 FLUJZFUVJIPYHB-MRXNPFEDSA-N 427.354 4.146 5 20 IIBD O=C(Cc1ccccc1O)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 725939208 SVMQFADINLRGGQ-NRFANRHFSA-N 440.839 4.420 5 20 IIBD C[C@H](NC(=S)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Cl)cc1Cl 726434017 DBMLPMMVQMVNPN-QMMMGPOBSA-N 430.273 4.362 5 20 IIBD Cc1sc(CNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])nc1-c1ccc(Cl)cc1 731616260 IKOWAZAVYAPOGF-UHFFFAOYSA-N 445.884 4.188 5 20 IIBD COC(=O)c1sc(-c2ccccc2)cc1OS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 731673188 CQWIAPPLRZVWRB-UHFFFAOYSA-N 437.426 4.017 5 20 IIBD O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCO[C@@H](c2ccccc2Br)C1 736073466 FENVKYNSNMRWLN-MRXNPFEDSA-N 425.666 4.224 5 20 IIBD Cc1ccc(C2(C(=O)OCc3ccc([N+](=O)[O-])cc3Br)CCOCC2)cc1 739580822 VBWCFNNZJBCGDE-UHFFFAOYSA-N 434.286 4.457 5 20 IIBD CC(C)=CCSc1ccccc1C(=O)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 741440296 YVBOVZOTMUWVEG-UHFFFAOYSA-N 440.930 4.425 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)cc1[N+](=O)[O-] 742027400 DJMKWOFTKHYYRT-ZDUSSCGKSA-N 444.868 4.054 5 20 IIBD COC(=O)c1cc(Br)ccc1OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 744360687 RCNTXHLJEQSQGE-UHFFFAOYSA-N 448.147 4.382 5 20 IIBD COC(=O)c1ccc(Br)c(C)c1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 744380908 COOHJYJSXDCEOW-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD O=C(COC(=O)COc1cc(Cl)cc(Cl)c1)Nc1cc([N+](=O)[O-])ccc1Cl 745599120 GZXVYKBSFLEARV-UHFFFAOYSA-N 433.631 4.116 5 20 IIBD O=c1c2ccccc2nc(SCc2cc(Cl)ccc2[N+](=O)[O-])n1C[C@@H]1CCCO1 746388519 BURQKAYXJYOJFM-HNNXBMFYSA-N 431.901 4.429 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1ccccc1C(F)(F)F 747126252 USRZLAONRXPFJH-UHFFFAOYSA-N 436.264 4.428 5 20 IIBD Cc1ccc(-n2c(SC[C@H](O)c3cccc([N+](=O)[O-])c3)nnc2N2CCCCC2)cc1 749667512 YLDCHFHJVNFOPP-FQEVSTJZSA-N 439.541 4.300 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 750608078 BJGPHGNXXVNUGT-HOTGVXAUSA-N 445.520 4.285 5 20 IIBD COC(=O)c1occc1CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@H](C)c1ccccn1 751127884 IBCXXZQEUVCPPN-YCABEKBOSA-N 435.436 4.173 5 20 IIBD O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)OCc1nc2cc([N+](=O)[O-])ccc2o1 751621512 BYJRNBQZUKEAOI-UHFFFAOYSA-N 446.828 4.275 5 20 IIBD Cc1c(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cccc1N1CCOC1=O 753106959 HJYXCZQDQLBMKO-UHFFFAOYSA-N 434.246 4.183 5 20 IIBD COc1cc(C(=O)OCc2csc(CCc3ccccc3)n2)c([N+](=O)[O-])cc1OC 753442032 NPSGRSSLKQUPPT-UHFFFAOYSA-N 428.466 4.211 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1Br 754062461 USPCPYHCGBXKBH-CHWSQXEVSA-N 443.342 4.190 5 20 IIBD O=C(OCC[C@H]1CCOC1=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 754071346 XHGZVTPATFWRFN-GFCCVEGCSA-N 444.490 4.466 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC([C@H](O)c2ccccc2)CC1 754627701 FWHGTUWZAFUSAA-GOSISDBHSA-N 437.265 4.082 5 20 IIBD CCC(C)(C)OCc1ccccc1NC(=O)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 755298263 SVWYNFIDIBKZCR-UHFFFAOYSA-N 433.892 4.208 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)OCC(=O)c1ccc(NC(=O)c2ccccc2)cc1 756532576 ANMQQNIPJLOQOU-UHFFFAOYSA-N 432.432 4.206 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cncc(-c2ccc(Cl)cc2)c1 758107034 HJZLBZZGZIYMAI-UHFFFAOYSA-N 441.827 4.114 5 20 IIBD C[C@@H](OC(=O)/C=C/c1ccc(Cl)nc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 758700104 XZLNVYSFQGPXNS-KFEJWOFMSA-N 443.765 4.246 5 20 IIBD CC(C)C(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 758736697 OMRQMZZKWUMNJR-AWEZNQCLSA-N 437.452 4.028 5 20 IIBD CNC(=O)c1cc(Oc2cccc(OC(=O)c3ccc(SC)c([N+](=O)[O-])c3)c2)ccn1 766712883 MLZCXJUKIXXXHN-UHFFFAOYSA-N 439.449 4.083 5 20 IIBD C[C@@H](Sc1nnc(Cc2ccccc2F)o1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 768362641 AMZRXOPCYZLLFY-SNVBAGLBSA-N 436.852 4.480 5 20 IIBD CC(=O)[C@H](Cc1ccc(F)c(F)c1F)OC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 768394028 HSPRBZDCTWXVHS-BZNIZROVSA-N 427.400 4.236 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@@H](C)Oc1cccc2ccccc12 769361024 ZIGXEDPRBIQLAD-HUUCEWRRSA-N 438.436 4.094 5 20 IIBD COc1cc([C@@H]2NC(=O)N(Cc3cccs3)C(C)=C2C(=O)OC(C)C)ccc1[N+](=O)[O-] 770638703 YQPOGYWBEHDJTF-IBGZPJMESA-N 445.497 4.157 5 20 IIBD COc1ccc(C(C)(C)c2noc(CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)cc1OC 771663522 AALBQQDFSLZWLK-UHFFFAOYSA-N 442.428 4.014 5 20 IIBD COC(=O)c1cccc(COC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)n1 773364099 SJOXIDFUKXLRPB-UHFFFAOYSA-N 445.478 4.050 5 20 IIBD C[C@H](OC(=O)C(C)(C)c1ccc(O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 773728060 SLOLOPYTBGQSAI-NSHDSACASA-N 440.374 4.167 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)Nc1c(C)nn(C)c1C 777231656 NZMVUCHHPUUFLW-CQSZACIVSA-N 434.518 4.021 5 20 IIBD Cc1ccc(NC(=O)C[C@@](O)(c2nc3ccccc3s2)C(F)(F)F)cc1[N+](=O)[O-] 777839440 YORUGEGZNMONTH-QGZVFWFLSA-N 425.388 4.292 5 20 IIBD CCOC(=O)Nc1nc2ccc(NC(=O)c3cc([N+](=O)[O-])c4nsnc4c3)cc2s1 778252976 MANXEAJITGNVQY-UHFFFAOYSA-N 444.454 4.030 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NC(=O)c1c(N)cccc1[N+](=O)[O-] 779355639 GCFOTPTUGOKMAY-QGZVFWFLSA-N 426.473 4.331 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)ccc1Cl 781659024 IBSGKSXZLSTKHT-UHFFFAOYSA-N 446.794 4.254 5 20 IIBD O=C(OCc1coc(-c2ccc(F)c(F)c2)n1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 785675073 BEHVNJNJLKSFNI-UHFFFAOYSA-N 426.335 4.071 5 20 IIBD C[C@H](CC(=O)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1c[nH]c2ccccc12 786354078 HCOYESAEQDWYPW-CYBMUJFWSA-N 429.860 4.196 5 20 IIBD O=[N+]([O-])c1ccc(Br)c(OCc2nc(-c3cc(F)c(F)c(F)c3)no2)c1 786746250 SFHPCPVBIKVKHB-UHFFFAOYSA-N 430.136 4.404 5 20 IIBD COc1cc(C(=O)OCCCC(=O)N(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 787984399 ZMURVHKDDBUAAN-UHFFFAOYSA-N 436.848 4.074 5 20 IIBD C[C@@H](N[C@H](CO)c1ccc(Br)cc1C(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 788799386 DPNPYOILLDEGGX-RFAUZJTJSA-N 448.239 4.343 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)OCc2ncnn2C(C)C)cc1[N+](=O)[O-] 789686879 YRNMBGGPTABPQQ-UHFFFAOYSA-N 440.481 4.077 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 790199101 ZMTVAONWORPNHE-CABCVRRESA-N 429.498 4.252 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(C(F)(F)F)cc2F)c(Br)c1 795225952 BRTKFAOLOCQNOR-UHFFFAOYSA-N 444.156 4.283 5 20 IIBD CN(CCCOC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C(=O)OC(C)(C)C 797870355 LLQYZMCAVKEYLN-UHFFFAOYSA-N 446.450 4.373 5 20 IIBD Cc1cc(NC(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)ccc1[N+](=O)[O-] 800557087 KLISDOIKKVFBKU-RBUKOAKNSA-N 440.500 4.428 5 20 IIBD C[C@H](OC(=O)c1ccnc(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 805658808 KKNUWSMHTUELID-NSHDSACASA-N 444.806 4.028 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1cc(Br)ncc1Cl 808628208 CVDCOQHQQJVTHS-UHFFFAOYSA-N 435.459 4.421 5 20 IIBD COc1cc(N2CCC(OC(=O)c3ccc4c(c3)CCCCC4=O)CC2)ccc1[N+](=O)[O-] 810593155 UDYYSGLAYUFNFT-UHFFFAOYSA-N 438.480 4.338 5 20 IIBD COCCn1c(N[C@H](C)[C@H](OC)c2ccccc2Cl)nnc1-c1cccc([N+](=O)[O-])c1 812091157 COKSKRAEPAXTDD-KUHUBIRLSA-N 445.907 4.341 5 20 IIBD O=C(NCc1cccnc1)c1ccccc1NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 812952505 YEVVWYYJRDKHQD-UHFFFAOYSA-N 445.262 4.479 5 20 IIBD Cn1ncc(C(=O)OCc2nc3ccccc3c3ccccc23)c1I 815515192 VAXQKQFSTLXPJT-UHFFFAOYSA-N 443.244 4.083 5 20 IIBD COc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)o1 849210507 MVAIRGFWWGSSDW-JTQLQIEISA-N 434.861 4.426 5 20 IIBD O=C(Cc1csc(-c2cccc(F)c2)n1)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 914801316 NCKYPRXXCAYFOE-UHFFFAOYSA-N 440.412 4.193 5 20 IIBD COc1cc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)ccc1OCC(C)C 914868969 TUHVFKIIRDOZNB-CQSZACIVSA-N 431.445 4.346 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)[C@@H](C)Oc1ccc(F)cc1Br 915499245 RBOJBDUEBBLMGI-SNVBAGLBSA-N 428.210 4.016 5 20 IIBD Cc1nc(CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c2ccc(F)cc2)cs1 916087637 QDIMYXINSXGGFT-UHFFFAOYSA-N 425.445 4.082 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1OC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 916403235 YIQZAIJHCWTGDX-UHFFFAOYSA-N 436.386 4.380 5 20 IIBD C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 917301950 XJVSBUOZJAFRPI-JTQLQIEISA-N 438.223 4.462 5 20 IIBD O=C(NCc1cccc(NC(=O)C2CCCC2)c1)c1ccc(Br)c([N+](=O)[O-])c1 917810611 OPRYQAJAYYSRDL-UHFFFAOYSA-N 446.301 4.416 5 20 IIBD Cc1oc(-c2ccccc2)nc1CC(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 918941966 XTEMFDCHMSAZPH-CYBMUJFWSA-N 443.843 4.325 5 20 IIBD C[C@H](OC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)C(=O)N(C)c1ccccc1 920544633 DLXSDGPDHURFLF-IRXDYDNUSA-N 448.479 4.371 5 20 IIBD C[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(N2CCCC2=O)cc1 920977018 IPBGOGMDWIERJV-LBPRGKRZSA-N 434.399 4.206 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(Cl)c1)NCc1cccc(COCc2ccco2)c1 921143007 MEIAWCMVKCTRDN-UHFFFAOYSA-N 430.844 4.253 5 20 IIBD O=C(COC(=O)C1(c2cccc(F)c2)CCC1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1115826858 GKKYGEFIKLGPJN-UHFFFAOYSA-N 440.349 4.356 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nnc(-c3cccc(Cl)c3)o2)cc1 1118070874 MIINNXHQNBEEEU-QGZVFWFLSA-N 448.888 4.214 5 20 IIBD CCOc1ccc(CN(C)S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cc1OC 1261192763 WUACQZQIVXOZLO-UHFFFAOYSA-N 449.312 4.130 5 20 IIBD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c2ccc(F)cc2n1 1337345531 MFBJNCDFJATZFL-LLVKDONJSA-N 431.807 4.428 5 20 IIBD Cc1c(C(=O)COC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cnn1-c1ccccc1 1345475880 YQUFNWLDQUDXFR-UHFFFAOYSA-N 433.342 4.147 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C)c([N+](=O)[O-])cn4)CCC3)cc2)o1 1786490434 NOTMUEGVYLLIDU-UHFFFAOYSA-N 434.452 4.261 5 20 IIBD Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C3)cc1Cl 1792733023 AUDHCPJWHQAKLY-BCDXTJNWSA-N 445.878 4.261 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC2(CCCN(C(=O)c3ccsc3)C2)CC1 1808109164 XDTVMXUDNWWXCV-VOTSOKGWSA-N 439.537 4.215 5 20 IIBD Cc1scc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)[nH]n2)c1C 1816611956 HZXNHHFSNYKQAH-OAHLLOKOSA-N 443.485 4.209 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)CC(C)C)CC1 1826343595 RJQKUQKESXXGOH-HXUWFJFHSA-N 433.524 4.322 5 20 IIBD CC[C@H](C)CC(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])sc2C1 1828248685 KRGYRCPVVRDUHD-DOLYSSGKSA-N 442.541 4.113 5 20 IIBD C[C@@H]1C[C@]1(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830499349 ULVAMJZEMTXHLX-XLHILCRZSA-N 431.508 4.013 5 20 IIBD CC(C)C1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)CCC1 1832489348 RMDNTFFRJTTWSM-GOSISDBHSA-N 431.533 4.247 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)c([N+](=O)[O-])cc1OC 9487739 WOBGFELVQWGCJL-AWEZNQCLSA-N 430.457 4.228 5 20 IIBD O=C(OCc1nnc(-c2ccc(Br)s2)o1)c1cc(Cl)ccc1[N+](=O)[O-] 18223125 QBMMINPNXZURHP-UHFFFAOYSA-N 444.650 4.479 5 20 IIBD COc1ccc(CSCC(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cc1[N+](=O)[O-] 27383243 QBTIMMMGHMVUQI-MRXNPFEDSA-N 441.509 4.384 5 20 IIBD COc1ccc(NC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)c([N+](=O)[O-])c1 58565459 LOUCAXFXJUMDRD-UHFFFAOYSA-N 439.428 4.304 5 20 IIBD CCc1cc(NCc2cccc(CN3CCOCC3)c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 64914688 LAHBJPGICFCSMR-UHFFFAOYSA-N 433.512 4.059 5 20 IIBD COCCN(CCCc1ccccc1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 72044734 XVNSDKZWJNLZDS-UHFFFAOYSA-N 428.532 4.263 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc2c(c1)CCC(=O)N2 105993502 RTCIVUKZDHVVJR-UHFFFAOYSA-N 425.388 4.229 5 20 IIBD COCC(=O)Nc1ccc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 108783069 IGMXCVVYTDYWAW-HNNXBMFYSA-N 449.467 4.000 5 20 IIBD O=C(c1ccc(F)cc1Cl)N1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 110458528 HZOCEJUSAPWWEI-UHFFFAOYSA-N 442.672 4.112 5 20 IIBD C[C@@H]1CN(Cc2cccc(CNCc3csc(-c4cccc([N+](=O)[O-])c4)n3)c2)CCO1 237583678 DTGUGYIHYZMGRD-QGZVFWFLSA-N 438.553 4.229 5 20 IIBD Cc1nc(-c2c[nH]c(C(=O)N[C@@H](CC(=O)OC(C)C)c3ccccc3[N+](=O)[O-])c2)cs1 302844982 LVZBOCMMOFCPPO-INIZCTEOSA-N 442.497 4.168 5 20 IIBD O=C(NCc1ccccc1N1CCOCC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 303038741 SIWXPLCTIYIGCD-UHFFFAOYSA-N 432.480 4.105 5 20 IIBD O=C(CN1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1)Nc1ccccc1[N+](=O)[O-] 303312236 PIUFHDRYHSBSSF-QGZVFWFLSA-N 428.247 4.053 5 20 IIBD CCC(CC)(CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N[C@@H](C)c1ccccc1 303431528 CFOMKMMRSZLNIZ-SFHVURJKSA-N 435.528 4.420 5 20 IIBD C[C@@H]1C[C@@]1(NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 410377613 DTPYJNVOLMXIBJ-ODXCJYRJSA-N 443.916 4.193 5 20 IIBD C[C@H](c1ccc(Br)cc1)[S@](=O)Cc1cc([N+](=O)[O-])cc2c1OCOC2 427178763 MZVRYFPDSGYYPH-SSINHNECSA-N 426.288 4.234 5 20 IIBD CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@H](c1ccc(Cl)cc1)c1cnccn1 427434987 KOIDFDYECXBRDF-JOCHJYFZSA-N 439.903 4.478 5 20 IIBD NC(=O)N1CCCc2ccc(NC(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)cc21 427953398 URPWCERKTAMALQ-UHFFFAOYSA-N 445.479 4.291 5 20 IIBD CC(C)(NCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccccc1[N+](=O)[O-] 429234878 DOCDKTQYLSEQST-UHFFFAOYSA-N 425.485 4.490 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2Cc3cccc(O)c3C2)cc1[N+](=O)[O-] 430250562 AILJQFDKNAHUPX-MRXNPFEDSA-N 448.500 4.151 5 20 IIBD C[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc2N(Cc2ccccc2)C1=O 430836837 GGXPQYBIHZECND-SFHVURJKSA-N 429.476 4.353 5 20 IIBD CSc1cc(C(=O)COc2c(Br)cccc2[N+](=O)[O-])ccc1NC(C)=O 431221257 LVTSRMNHGYDDLZ-UHFFFAOYSA-N 439.287 4.299 5 20 IIBD CC(C)(NC(=O)NCCc1nc(-c2ccc(Cl)cc2)no1)c1ccc([N+](=O)[O-])cc1 431979296 CGYBMMHTHKCDGM-UHFFFAOYSA-N 429.864 4.075 5 20 IIBD O=C(NCCc1cccc(F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435532101 PDSDKFRLIPTNFU-UHFFFAOYSA-N 445.497 4.244 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCN(Cc2cccc(Cl)c2)CC1 435836056 OLEMZEYRZWEXKC-UHFFFAOYSA-N 449.913 4.432 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC(n2c(O)nc3ccccc32)CC1 435879514 KRBSWDNTKGJGFM-UHFFFAOYSA-N 438.487 4.214 5 20 IIBD C[C@H](OC[C@@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Cl)cc1 438817028 DUGSXKXERHECQF-JXFKEZNVSA-N 434.920 4.230 5 20 IIBD CC(C)CN1CCCC[C@@H]1CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 439684547 BJFYGUHLLFJVNW-AZUAARDMSA-N 439.560 4.403 5 20 IIBD CN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1ccc(OCc2ccccc2)cc1 440580165 VWLOZEIIMPASMH-UHFFFAOYSA-N 429.436 4.031 5 20 IIBD CCc1[nH]nc(C(=O)N[C@H](c2ccccc2Cl)c2ccc(OC)cc2OC)c1[N+](=O)[O-] 444298641 OTFYLTONIUFMBL-GOSISDBHSA-N 444.875 4.070 5 20 IIBD O=C(NCc1cc(Cl)cc2c1OCC2)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444312929 MMGFBPUVVAIBDY-UHFFFAOYSA-N 440.833 4.478 5 20 IIBD CC(=O)c1ccc(Oc2ccc(C(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)cc2)cc1 444639850 QPILPIOINYFBOL-UHFFFAOYSA-N 430.420 4.396 5 20 IIBD CO[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccc(Cl)cc1 446035639 MTNJXNOSMLIION-INIZCTEOSA-N 427.682 4.057 5 20 IIBD CCc1c(NCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cnn1-c1cccc(Cl)c1 447890622 XZSWZLMTBNTNRP-UHFFFAOYSA-N 429.864 4.056 5 20 IIBD C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1OCCCO 461110484 WMDXAIFCWZJXIX-GFCCVEGCSA-N 438.278 4.001 5 20 IIBD O=C(CCCCc1ccc(Br)cc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 461411903 VDNKJORDXVXPPP-UHFFFAOYSA-N 433.302 4.491 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 463945301 BEMCHUSMENJHMG-KRWDZBQOSA-N 439.516 4.351 5 20 IIBD Cc1ccc(Cc2cnc(NC(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)s2)cc1F 465031781 KUKMGHKFLIPKBJ-UHFFFAOYSA-N 443.456 4.042 5 20 IIBD CCN(C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H](Cc1ccc(F)cc1)C(C)C 465164489 KYBHXIGVJSORMQ-LJQANCHMSA-N 430.476 4.163 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(Cl)c(N2CCNC2=O)c1 466527160 JKRKUNJDFYELQU-UHFFFAOYSA-N 441.296 4.162 5 20 IIBD C[C@@H]1OCC[C@@]12CN(C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)C[C@@H](C)O2 468530478 JVDBIPKOTYXUDH-ZMPRRUGASA-N 428.510 4.155 5 20 IIBD CS(=O)(=O)Cc1ccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1F 469084198 SXZHAHKRJFAQMH-UHFFFAOYSA-N 443.456 4.274 5 20 IIBD CN1CCC(=O)Nc2cc(C(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)ccc21 469537152 GWMXMWBQGQFUJI-UHFFFAOYSA-N 432.436 4.418 5 20 IIBD O=C([C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1C[C@H](c2ccccc2)c2ccccc21 470204105 HLLXCIYPUOPAIO-QUCCMNQESA-N 447.516 4.440 5 20 IIBD Cc1ccc([C@@H]2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)C2)c(C)c1 471337866 SKQBSPKPOWGVDU-OFNKIYASSA-N 435.524 4.141 5 20 IIBD COc1cccc(C=C2CCN([C@@H](C)C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])CC2)c1 472996821 BVJWCNRJVVGCDC-INIZCTEOSA-N 425.485 4.118 5 20 IIBD COc1ccc(-c2ccc(CNC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)s2)cc1 473484691 UCMUIMUHWSRIBY-UHFFFAOYSA-N 426.450 4.033 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)cc1OC 475843494 AORYZEJEJLNOBI-LJQANCHMSA-N 438.839 4.008 5 20 IIBD Cc1cc(OCC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)c(F)cc1[N+](=O)[O-] 479191152 OVCFNMSBLCHQNN-QFIPXVFZSA-N 432.448 4.096 5 20 IIBD COc1ccc(NC(=O)N[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc1[N+](=O)[O-] 480296880 CCXXBYAQVVCLDC-LJQANCHMSA-N 439.390 4.146 5 20 IIBD O=C(Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 481474874 BKWDHFJFHWXXII-UHFFFAOYSA-N 443.398 4.110 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSc1nnc(-c2cc3ccccc3o2)o1 484716607 UGADPTRLLZCWCM-UHFFFAOYSA-N 438.421 4.481 5 20 IIBD O=C(CN1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl 485348901 IFRHFERHZWRQBU-XMSQKQJNSA-N 442.947 4.173 5 20 IIBD O=C(NCCc1ccc(Br)cc1)c1sc(Br)cc1[N+](=O)[O-] 485460662 ARAKHDINAAURAN-UHFFFAOYSA-N 434.109 4.154 5 20 IIBD CC(=O)N(Cc1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1)C(C)C 485473222 YVCXQCONYNTYTB-UHFFFAOYSA-N 440.319 4.428 5 20 IIBD O=C(NC1CC1)c1cccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 485526166 AFLSEZCKNAZDJS-UHFFFAOYSA-N 431.448 4.318 5 20 IIBD COC(=O)C[C@H](NC(=O)c1cccc(SC)c1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 486416084 CKBRIRBQMFUQPS-AWEZNQCLSA-N 442.415 4.370 5 20 IIBD CN1CC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2Nc2cccc(C(F)(F)F)c2)CC1=O 486567101 OOTBMLXBTCLQIZ-GFCCVEGCSA-N 436.390 4.164 5 20 IIBD COc1cc(CCNC(=O)c2cnn(C(C)C)c2-c2ccccc2)c([N+](=O)[O-])cc1OC 488555915 BWEDYODBZQDVKH-UHFFFAOYSA-N 438.484 4.029 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 488945822 QQPSFIBQCATTGV-HNNXBMFYSA-N 433.306 4.375 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCN(Cc3csc(C(C)(C)C)n3)CC2)cc1[N+](=O)[O-] 493074012 BIHVIEYGJVECAS-INIZCTEOSA-N 445.589 4.246 5 20 IIBD COc1cc(NCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])ncc1Br 493670712 UWYWWRXPEBKSHW-UHFFFAOYSA-N 448.220 4.026 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1cccc(COCCc2ccccc2)c1 499181432 WGRGXJSQRLSBGX-UHFFFAOYSA-N 440.521 4.339 5 20 IIBD CCc1nc(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nn1-c1c(Cl)cccc1Cl 499292450 GCMHNKFASHBYSF-UHFFFAOYSA-N 436.255 4.306 5 20 IIBD O=[N+]([O-])c1ccccc1S(=O)(=O)N(Cc1cccnc1)c1ccc(Br)cc1 500463847 VEEQIMQZFWXDHA-UHFFFAOYSA-N 448.298 4.148 5 20 IIBD Cc1cccc(C)c1OC[C@@H](C)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 500978852 RANKGAFDRSOVEX-CQSZACIVSA-N 426.391 4.350 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 501215398 YPTLQBPDEMNKSO-HSALFYBXSA-N 429.904 4.005 5 20 IIBD O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)c1cc(Br)cc([N+](=O)[O-])c1 505992325 XMHGTCZPULLKLK-UHFFFAOYSA-N 444.207 4.488 5 20 IIBD Cc1nccnc1CCNC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 511733368 CVCZEMRDCIOHLL-UHFFFAOYSA-N 428.901 4.470 5 20 IIBD COc1ccc(-c2ccc(CNc3cc(C(N)=O)ccc3-n3cc(C)cn3)o2)c([N+](=O)[O-])c1 512904344 RMZJHVIMJIAZDX-UHFFFAOYSA-N 447.451 4.069 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 513065625 XBLDAJSVLJCHRG-CYBMUJFWSA-N 449.305 4.014 5 20 IIBD CC(C)[C@@H](CN[C@H](c1ccc([N+](=O)[O-])cc1)c1nccn1C)N1CCc2ccccc2C1 513666468 LVNFMNUIVOOHLK-DNQXCXABSA-N 433.556 4.090 5 20 IIBD CC1CCN(Cc2ccc(CN[C@H](c3ccc([N+](=O)[O-])cc3)c3nccn3C)cc2)CC1 513761799 OTWVGCKEGYDNQY-XMMPIXPASA-N 433.556 4.439 5 20 IIBD O=C(NCCOc1cccc2ccccc12)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 515677712 UQSALZXIGLLFJT-UHFFFAOYSA-N 434.370 4.498 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2c2cccc(Br)c2)c(F)c1 515757051 NMYYPULPTOJQFN-HNNXBMFYSA-N 429.267 4.022 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCc1nc(-c2ccccc2)no1 516326831 BPZAJMKFOVMFPO-UHFFFAOYSA-N 426.498 4.460 5 20 IIBD O=C(NCCCN(C(=O)C1CCC1)C1CC1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 517510946 BJCFMHKDVLOMNO-UHFFFAOYSA-N 437.496 4.298 5 20 IIBD CCCNc1ccc(CNCc2cc(I)cc([N+](=O)[O-])c2)cc1 517630244 HBUIVWGCYOHRJT-UHFFFAOYSA-N 425.270 4.311 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CCC[C@H]2c2ccc(F)cc2)c1 518704337 HJSDLWPVAPSMPR-INIZCTEOSA-N 429.267 4.022 5 20 IIBD COc1ccc([C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)c2ccc(F)cc2)cc1 519985095 NZXAWUOVWZZMSK-QHCPKHFHSA-N 440.427 4.036 5 20 IIBD O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N(CCN1CCCC1)Cc1ccc(Cl)cc1 520306129 RRLDZLNGGXJNSP-UHFFFAOYSA-N 426.904 4.468 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCCOc2ccc(F)c(F)c2)cc1[N+](=O)[O-])c1ccccn1 521596417 YEOXSVZCWSAVPG-AWEZNQCLSA-N 442.422 4.250 5 20 IIBD CC(C)CSCCNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 535951557 GDECRMCUDFRDJF-UHFFFAOYSA-N 433.496 4.335 5 20 IIBD CC1(C)CCC[C@@H](c2noc([C@H]3CCCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)C3)n2)C1 536051234 AQDHHLHTDFDENM-CVEARBPZSA-N 448.545 4.230 5 20 IIBD Cc1nn(-c2ccc(Br)cc2)c(NC(=O)NCc2ccccc2[N+](=O)[O-])c1C 538154940 HTWGQKVBBBFLAS-UHFFFAOYSA-N 444.289 4.482 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1 538192540 ZOCBDKFPCJAURQ-FQEVSTJZSA-N 441.553 4.059 5 20 IIBD CC(C)n1c([C@@H]2CCCN2CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nc2ccccc21 541283137 VKYLDPGPSIINPH-NRFANRHFSA-N 442.541 4.136 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1nc(-c2ccccc2)cs1 542590682 NHAWKAGKSWHFKA-CQSZACIVSA-N 426.498 4.406 5 20 IIBD C[C@H]1C[C@@H](CCNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 543203324 QMRXAZJQAMCHNZ-OALUTQOASA-N 448.523 4.311 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCCSc3ccc(Cl)cc32)cc1 543596342 ZJSZFFJQNLWFQT-QGZVFWFLSA-N 426.947 4.239 5 20 IIBD CC(C)c1ccc([C@H]2CCCN2C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 546046184 XPCBFOMJONBKJQ-OAQYLSRUSA-N 445.541 4.039 5 20 IIBD CCO[C@@H]1C[C@H](Nc2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])[C@@]12CCCO2 546055578 YWVKPKSQFOZKKB-XJUOHMSHSA-N 425.485 4.294 5 20 IIBD O=[N+]([O-])c1ccc2c(-c3nc(Cc4cc5c(cc4Br)OCO5)no3)c[nH]c2c1 546391265 KXRDUQSFVKQYBY-UHFFFAOYSA-N 443.213 4.208 5 20 IIBD CC(C)c1ccccc1NC(=O)[C@@H](C)Sc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C 547230014 QHJUEOKECDCNET-CYBMUJFWSA-N 426.498 4.084 5 20 IIBD CCc1c(NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)nnn1Cc1ccc(F)cc1 549245548 RKKVUIFKDJYAFQ-CQSZACIVSA-N 426.452 4.127 5 20 IIBD Cc1ccc(Sc2ccc(CN3CCC[C@H](CS(C)(=O)=O)C3)cc2[N+](=O)[O-])cc1 552278533 BKBUYLMTAIVFKD-SFHVURJKSA-N 434.583 4.311 5 20 IIBD O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCn2c(nnc2C2CCCC2)C1 552438992 SCFOINQWBQGHSV-UHFFFAOYSA-N 447.495 4.079 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)c1 554960020 XFZPTWKXUCFJHW-UHFFFAOYSA-N 435.267 5.047 5 20 IIBD CC(C)NS(=O)(=O)c1cccc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1 555190962 YWVMQKCROBEMTJ-UHFFFAOYSA-N 445.566 4.300 5 20 IIBD O=C(N[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 562864943 DVYBKFRYTNAQRH-DLBZAZTESA-N 445.401 4.260 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 573887023 SUPDCNHHKIAQPB-UZUQRXQVSA-N 448.483 4.188 5 20 IIBD C[C@@H](C1CCCCC1)[C@@H](C)NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 578458313 PCRBOOBAXDOFHE-VXGBXAGGSA-N 426.311 4.017 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(Oc2cncc(Cl)c2)CC1 580276459 BVXALEPJKUBOEP-ZDUSSCGKSA-N 429.864 4.298 5 20 IIBD CC1CCN(c2ccc(C(=O)NC[C@@H](c3cccc(F)c3)N(C)C)cc2[N+](=O)[O-])CC1 603435772 DVMTXEHLNFJZBW-QFIPXVFZSA-N 428.508 4.003 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1 603501645 YIKSSSORKUMPSD-MRXNPFEDSA-N 431.514 4.027 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 603501773 FMQPCPZPCSFEJP-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ncc(Cc2ccccc2Cl)s1 603640293 VRBBRVOMFICEOW-UHFFFAOYSA-N 439.902 4.105 5 20 IIBD COC(=O)C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ccc(Br)cc1 603737677 WGSJCCUAJHXYQI-HNNXBMFYSA-N 447.241 4.138 5 20 IIBD COC(=O)CN(C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)C(C)C 603743193 ZREQYTNVNPOVBY-UHFFFAOYSA-N 445.522 4.379 5 20 IIBD C[C@H](NC(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1cccc([N+](=O)[O-])c1 604126674 QOGCYGNVYMKKTQ-HNNXBMFYSA-N 436.434 4.202 5 20 IIBD COc1ccc(CNC(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)cc1[N+](=O)[O-] 604461187 XWQUZZPJPRXFIZ-UHFFFAOYSA-N 440.500 4.122 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 608866469 QJCATJIHHWZBLD-HXUWFJFHSA-N 444.451 4.198 5 20 IIBD CC(C)S(=O)(=O)c1ccccc1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 608872679 YHAFEKDBEGRNLO-UHFFFAOYSA-N 431.495 4.153 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CCC[C@@H]3c3cccc(N(C)C)c3)cc2)c(C)c1[N+](=O)[O-] 609794285 LSKZMOHWDQPPHW-HSZRJFAPSA-N 447.539 4.500 5 20 IIBD CCn1ncc2c(C(=O)Nc3cc(C(=O)OC)cc([N+](=O)[O-])c3)cc(-c3ccccc3)nc21 609838491 WPPWLEYCDQVVHK-UHFFFAOYSA-N 445.435 4.065 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCC(c1ccccc1)c1ccccc1 609840532 NVHZABVLZJRTFM-NRFANRHFSA-N 435.528 4.166 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CC[C@@H](CN4CCCC4)C3)cc2[N+](=O)[O-])n1 610067981 HQYJCNQRYVEWMB-HNNXBMFYSA-N 432.571 4.069 5 20 IIBD O=C(NCC[C@H]1C(=O)Nc2ccccc21)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611203455 AAUINLIABKNECW-QGZVFWFLSA-N 425.510 4.485 5 20 IIBD O=C(N[C@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 725869675 YRRKTNHAMCBVNX-HKUYNNGSSA-N 434.418 4.001 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)OCCCOc2cccc(Cl)c2)ccc1[N+](=O)[O-] 726675726 VXWSJLLPZVVEPX-FQEVSTJZSA-N 446.887 4.174 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)c1ccc(I)c([N+](=O)[O-])c1 727747845 XJIUBEVNAXBCMF-UHFFFAOYSA-N 446.628 4.422 5 20 IIBD CCc1cc[n+](/C(C(=S)NCCc2cccnc2)=C(/O)c2ccc(C)c([N+](=O)[O-])c2)cc1 727813925 VYUKHSJZFLHUDT-UHFFFAOYSA-O 449.556 4.192 5 20 IIBD COc1ccc([C@@H](OC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[C@H](C)n2cccn2)cc1 729805001 UYTYLSRZKNPJBY-AOMKIAJQSA-N 447.451 4.145 5 20 IIBD O=C(CCSc1ccccc1F)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730709346 VGVZVCYQNXSFBZ-HNNXBMFYSA-N 432.473 4.064 5 20 IIBD CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2csc(C(C)(C)C)n2)NC(=S)N1C 731425371 FMMSUTWBCUWCGE-MRXNPFEDSA-N 445.570 4.123 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1ccc(Oc2cccc(F)c2)cc1 731612756 NIUJNEYWTKNFDU-UHFFFAOYSA-N 440.383 4.365 5 20 IIBD CC(C)c1ccc2c(c1)CCCN2C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 731970107 DGTFCWMUHNBHSX-GOSISDBHSA-N 427.526 4.364 5 20 IIBD CCc1nnc(COC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)n1C 735899056 FPXJMMOUODAMOQ-UHFFFAOYSA-N 432.889 4.447 5 20 IIBD CN1C(=O)CC[C@@H](COC(=O)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(C(F)(F)F)cc1 737376105 QULWKVVHGAUBGO-LIRRHRJNSA-N 436.386 4.380 5 20 IIBD O=C(CCCc1nnc(-c2ccccc2)o1)OCc1ccc([N+](=O)[O-])cc1Br 739580490 YENJDISEHYGRJU-UHFFFAOYSA-N 446.257 4.473 5 20 IIBD Cc1cccc(NC(=O)[C@@H](OC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C(C)C)c1C 743124409 ZYSHHLNHPCXGDS-NRFANRHFSA-N 436.468 4.217 5 20 IIBD O=C(OCc1nc(Cc2ccc(F)cc2)no1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 744894574 JJDHCJVSQIMTEV-UHFFFAOYSA-N 440.412 4.188 5 20 IIBD C[C@]1(c2ccc(Br)s2)NC(=O)N(Cc2cc(Cl)ccc2[N+](=O)[O-])C1=O 746050123 NEGWUOPELGNYFA-OAHLLOKOSA-N 444.694 4.039 5 20 IIBD C[C@@H](C(=O)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 747101820 LIICMUZWKVVQSV-MRVPVSSYSA-N 437.688 4.164 5 20 IIBD C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H](O)c1c(F)cccc1Cl 748402749 YGEKYOUIIYAQLO-DYZYQPBXSA-N 435.864 4.363 5 20 IIBD Cc1ccccc1[C@H](OC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)c1cccs1 748504136 XNJQQROYKWMWLZ-QFIPXVFZSA-N 438.461 4.023 5 20 IIBD Cc1c(C(=O)NCc2ccnc(OCc3ccccc3)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748713177 QWFGUWRNNHSEGH-UHFFFAOYSA-N 436.424 4.024 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cc(-c2cccc(Cl)c2)no1 748924584 HFQOHUFJACQIBW-UHFFFAOYSA-N 426.772 4.310 5 20 IIBD CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)[C@H]1c1ccccc1OC 750542600 QCZPEXPGTOKMLM-HTAPYJJXSA-N 443.475 4.461 5 20 IIBD COc1ccc(C(=O)C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Br)CC2)cc1 750604002 UMXSPPUITDBYMG-UHFFFAOYSA-N 447.285 4.101 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 751071526 ADDIBCQYAWLDDJ-GOSISDBHSA-N 429.345 4.266 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2c[nH]nc2-c2cccc(Cl)c2)cccc1[N+](=O)[O-] 756601329 GCYZSEVNNDVSHE-GFCCVEGCSA-N 428.832 4.131 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)O[C@@H]2CCO[C@H](c3ccc(C)cc3)C2)cc1OC 757531287 YKHAYVYBXVJDEP-XLIONFOSSA-N 445.468 4.014 5 20 IIBD C[C@H](OC(=O)/C=C\c1ccc(Cl)nc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 758700106 XZLNVYSFQGPXNS-NXSJDDFASA-N 443.765 4.246 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H](CCO)c2cccs2)cc1 761934091 OBRKFKHBGZEFJV-GOSISDBHSA-N 428.466 4.311 5 20 IIBD CC1CCN(c2ccc(C(=O)NC[C@H](O)c3ccc(Cl)c(F)c3)cc2[N+](=O)[O-])CC1 763215799 NMOTWAHCBBDYTC-FQEVSTJZSA-N 435.883 4.087 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN(C)Cc2ccccc2[N+](=O)[O-])c1=S 764882162 FOTDHLRQHZCTBG-UHFFFAOYSA-N 428.474 4.007 5 20 IIBD O=[N+]([O-])c1ccc2nc(Sc3ccc(CN4CCC[C@H](O)C4)cc3[N+](=O)[O-])sc2c1 768141137 OMYUSUKGWBAOHL-AWEZNQCLSA-N 446.510 4.221 5 20 IIBD CC(=O)[C@@H](Cc1ccc(F)c(F)c1F)OC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 768394022 HSPRBZDCTWXVHS-BDJLRTHQSA-N 427.400 4.236 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NC[C@H](O)c1ccc(-c2ccccc2)cc1 768552393 KFXPHTNKDXEKPP-QFIPXVFZSA-N 443.459 4.039 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1csc(-c2ncccc2F)n1 768656769 AQNMXUWUZYSLQO-UHFFFAOYSA-N 426.385 4.264 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 768711282 MKYJARSZRJNFCT-UHFFFAOYSA-N 442.686 4.153 5 20 IIBD CC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)[C@H](c1ccc(C)cc1)n1cncn1 770011798 VGHAJBUVBNRMSB-HKUYNNGSSA-N 428.880 4.338 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1CC(=O)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776138564 MRIVLQYEERJNTH-HXUWFJFHSA-N 448.401 4.241 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)Nc1ccc(F)cc1Cl 778891321 DYDMGRQNTJALIE-QMMMGPOBSA-N 432.738 4.173 5 20 IIBD O=C(OC[C@H]1CCCN(C(=O)c2ccccc2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 781501120 BICBQAMJUMJOHT-SFHVURJKSA-N 440.499 4.391 5 20 IIBD Cn1nc(C(F)(F)F)c(COC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1Cl 782345327 HVOYQPUZDUBVDR-UHFFFAOYSA-N 431.676 4.376 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C[C@H](O)c1cccs1 786288049 USOFMDRSIPVNFK-LRDDRELGSA-N 439.331 4.456 5 20 IIBD COc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(OC(F)F)c1 789236275 SUIPYVUBTJDSEX-SECBINFHSA-N 444.774 4.042 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cnc3c(c2)C[C@H](NC(=O)OC(C)(C)C)CC3)c1F 790920282 DZILTWJFUBUIEP-CQSZACIVSA-N 444.463 4.072 5 20 IIBD C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] 791030335 SSJJIQDLIOBHOU-LBPRGKRZSA-N 448.273 4.147 5 20 IIBD CCNc1ccc(C(=O)N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1[N+](=O)[O-] 791159968 YJUXROQMVNOXKI-UHFFFAOYSA-N 446.548 4.280 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccnc(N3CCc4ccccc4C3)c2)ccc1Cl 794071411 RPVQJMIQMANCLV-UHFFFAOYSA-N 444.900 4.007 5 20 IIBD Cc1ccc([C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c2ccccn2)cc1 795965531 XUVBQFUDJHFGTH-LJQANCHMSA-N 435.864 4.159 5 20 IIBD CCCC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc1 796443054 AUYRFJTVUYMUTG-HNNXBMFYSA-N 426.469 4.426 5 20 IIBD C[C@H](C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc2c(c1)OCO2 796757597 YHNFSBADTPKNGR-AWEZNQCLSA-N 434.404 4.285 5 20 IIBD Cc1cc([C@H]2CCCN2C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)ccc1Br 797573272 PYHIAJKOJVKWTF-GOSISDBHSA-N 443.301 4.379 5 20 IIBD Cc1ccc(N2CCOCC2)cc1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 797782731 LNRIDOQWRROIDJ-UHFFFAOYSA-N 449.457 4.357 5 20 IIBD COCc1nc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1 799595932 WLUQUPGUZJHZJK-CYBMUJFWSA-N 441.465 4.049 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)(C(F)(F)F)C1 806649436 CCFGRYOPUYIOQO-KRWDZBQOSA-N 428.367 4.086 5 20 IIBD C[C@@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(S[C@@H]2CCCCNC2=O)cc1 809047647 XNLAAIYEIXMTKH-FOIQADDNSA-N 428.510 4.203 5 20 IIBD C[C@@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ccc(SCC(=O)N(C)C)cc1 809071222 VOOPMMWIQCYNJS-CYBMUJFWSA-N 428.466 4.439 5 20 IIBD CCOc1ccc(C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1[N+](=O)[O-] 811220170 XDEFPNDDIBKCSO-UHFFFAOYSA-N 429.410 4.382 5 20 IIBD O=C(N[C@@H]1COc2ccccc2[C@@H]1O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 811581397 PGOREDKISFEWBO-NQIIRXRSSA-N 428.510 4.102 5 20 IIBD C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813078725 QCCKIFMAVKXUQO-ZYHUDNBSSA-N 432.304 4.419 5 20 IIBD C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 813878144 KUIMVYYIAITUKQ-SJLPKXTDSA-N 446.548 4.224 5 20 IIBD COc1cc(COC(=O)COc2ccc(Cl)c(F)c2)c([N+](=O)[O-])cc1OC(F)F 815301523 GXLGIEZSBPSIRS-UHFFFAOYSA-N 435.738 4.120 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 816346985 KTQHQYCAZRXGSG-RYUDHWBXSA-N 431.411 4.179 5 20 IIBD O=C(COC(=O)COc1c(Cl)cccc1Cl)Nc1ccc(Cl)cc1[N+](=O)[O-] 849201715 UGASUSLRVCDLQW-UHFFFAOYSA-N 433.631 4.116 5 20 IIBD CCCCN(C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)[C@H](C)CC 914611510 CVDNNBRCYCEJCD-MRXNPFEDSA-N 434.514 4.403 5 20 IIBD CN(C)c1ncccc1C(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 915275400 ZGTFRDRCIZYZDQ-UHFFFAOYSA-N 440.843 4.181 5 20 IIBD COc1cccc2cc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)oc12 915420970 VJBZYWSQFHUSBW-UHFFFAOYSA-N 438.314 4.164 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cc(C2CC2)nc2onc(C(C)C)c12 915577677 KIGBXEHPFRLIMW-UHFFFAOYSA-N 438.440 4.236 5 20 IIBD Cc1c(OC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cccc1[N+](=O)[O-] 917048163 LGLOMHUXAQBRFS-UHFFFAOYSA-N 446.525 4.033 5 20 IIBD COc1cc(/C=C(\C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])c2ccccc2)ccc1O 919168855 CNFXJMABSCOGLM-AQTBWJFISA-N 448.431 4.032 5 20 IIBD C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 919443247 FDVNDMZKKJICMT-JTQLQIEISA-N 438.223 4.462 5 20 IIBD Cc1c(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2N)cccc1OCC(F)(F)F 1321774558 JXUFYMJNZSOFBT-UHFFFAOYSA-N 448.195 4.441 5 20 IIBD CSc1nc(-c2ccco2)nc(C)c1-c1nnc(COc2ccccc2[N+](=O)[O-])o1 1322206110 UFFIHJLSDASVSJ-UHFFFAOYSA-N 425.426 4.304 5 20 IIBD C[C@H]1CCc2sc(-c3nnc(CCCn4c(=O)oc5cc([N+](=O)[O-])ccc54)o3)cc2C1 1328306633 HOGQDXNSTULZEJ-LBPRGKRZSA-N 440.481 4.372 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)C3(F)CCCCC3)CCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 1790185854 HPGVGESWEHKTHV-UHFFFAOYSA-N 428.464 4.343 5 20 IIBD CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc([N+](=O)[O-])o1)c1ccccc1 1793271694 QKBLSKOGCWKGAD-DZDFZWJYSA-N 437.496 4.033 5 20 IIBD CCCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2cccc([N+](=O)[O-])c2)cc1 1793939932 GGAWIKBKWUSDTR-NUNAXRQHSA-N 449.551 4.432 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCC(F)(F)F 1793982457 HVWQTEIOLSZPRK-BTTYYORXSA-N 445.413 4.027 5 20 IIBD Cc1cc(F)ccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1[N+](=O)[O-] 1804345918 UMBXLXGYSJZJER-NWKATUPTSA-N 437.471 4.008 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CC(C)(C)C)CC1 1826338085 NBWOTYJKPORXCW-LJQANCHMSA-N 445.560 4.278 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CC2(CCCN2C(=O)c2ccc(Oc3ccccc3)cc2)C1 1845311989 UMXYHMFAJQZEDO-UHFFFAOYSA-N 447.447 4.111 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC12CN(C(=O)c1ccc(C(C)C)cc1)C2 1845493582 FKDPRIBJVBHFLR-UHFFFAOYSA-N 439.487 4.297 5 20 IIBD CCCCC[C@@H](C)C(=O)N1CCCC12CN(C(=O)C1(c3cccc([N+](=O)[O-])c3)CCC1)C2 1846022888 TVTYWZPWXJJHHG-LJQANCHMSA-N 441.572 4.436 5 20 IIBD C[C@@H](OC(=O)COc1cccc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9445484 NSCCBBKYILJSSN-SNVBAGLBSA-N 446.765 4.216 5 20 IIBD COc1ccc(C(=O)C2CCN(C(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)CC2)cc1 12741047 YUGPYXXKRKNXAB-HNNXBMFYSA-N 428.510 4.206 5 20 IIBD C[C@@H](OC(=O)[C@@H]1Cc2ccccc2S1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 12994053 XFJUJTLONQVNOD-HWPZZCPQSA-N 440.399 4.201 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(N[C@@H]2CCCc3c2cnn3Cc2ccccc2)c1[N+](=O)[O-] 25578546 QFTJCUNXZGRVSA-GOSISDBHSA-N 437.456 4.038 5 20 IIBD Cc1c(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cnn1-c1ccccc1F 26485863 BAAIRCOGCRYRGN-GFCCVEGCSA-N 446.822 4.065 5 20 IIBD Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc1 59343531 PSTMBXREUHQBFS-UHFFFAOYSA-N 448.435 4.302 5 20 IIBD CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 65127855 VQLKEBZHTCXEET-UHFFFAOYSA-N 446.479 4.201 5 20 IIBD COc1ccc(Cl)cc1NC(=O)CN(C)c1ccc(Br)cc1[N+](=O)[O-] 69447599 RKNCVLJNIPSXCT-UHFFFAOYSA-N 428.670 4.094 5 20 IIBD COc1ccc(-c2ccc(CNCc3ccccc3CN3CCCC3=O)o2)c([N+](=O)[O-])c1 237418089 QOUCNKRVCYFQTC-UHFFFAOYSA-N 435.480 4.276 5 20 IIBD CC(C)(C)[C@H](COc1ccccc1F)NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 261484279 ZGAHYTAILPWOII-IBGZPJMESA-N 427.432 4.211 5 20 IIBD COc1cc(N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)c(F)cc1[N+](=O)[O-] 302426876 OWYJOITYSQCYLL-QGZVFWFLSA-N 429.217 4.222 5 20 IIBD CS(=O)(=O)c1cccc(N2CCC(c3ccccc3Br)CC2)c1[N+](=O)[O-] 302550983 JWFBEJHIGHULBV-UHFFFAOYSA-N 439.331 4.145 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1CN(c1nccs1)S(=O)(=O)c1ccccc1 303175090 HHYOJDCEIPRABF-UHFFFAOYSA-N 433.511 4.234 5 20 IIBD CN(CC(F)(F)F)C(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 409573270 JMJFEEQYADWAGM-UHFFFAOYSA-N 442.463 4.055 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)c([N+](=O)[O-])c1 409584500 AQZGHCLUCLEEGU-UHFFFAOYSA-N 441.296 4.256 5 20 IIBD O=C(CCSc1nc(O)c2c3c(sc2n1)CCCC3)Nc1ccccc1[N+](=O)[O-] 409879955 ZMRRRJPJTHHLBA-UHFFFAOYSA-N 430.511 4.305 5 20 IIBD COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cccc(SC)c1[N+](=O)[O-] 426315800 YHQHTXBZRKEIEY-UHFFFAOYSA-N 442.415 4.151 5 20 IIBD CC[C@H](Nc1ccc(C(C)=O)cc1[N+](=O)[O-])c1ccccc1OCC(=O)N1CCCC1 426907665 SOURVIYTCQIGDM-IBGZPJMESA-N 425.485 4.362 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 427808008 WCDBHRCQFMUCHD-LBPRGKRZSA-N 441.962 4.152 5 20 IIBD C[C@@H]1[C@H](CO)CCN1C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 427824337 FKLLWOOGQSROLK-VZKYXMTBSA-N 437.521 4.365 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cn1 428593383 LJJPYOQCEBNXHU-ZDUSSCGKSA-N 440.843 4.193 5 20 IIBD COC(=O)c1ccc(F)c(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 435940372 QNZZTSJGYBPYKL-UHFFFAOYSA-N 426.350 4.138 5 20 IIBD C[C@@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl 436020969 SKNNCVJPLWRJIF-SNVBAGLBSA-N 436.251 4.046 5 20 IIBD O=C(NC1CCCCC1)C1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC1 436308743 CSRQMNOGYBMHFK-UHFFFAOYSA-N 449.526 4.122 5 20 IIBD COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 437824271 UAIQNQSZDGYLBP-OAHLLOKOSA-N 445.541 4.338 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)c1ccc(SC(C)C)cc1 439721221 JCQARLSCVUEZSD-CQSZACIVSA-N 431.514 4.310 5 20 IIBD C[C@H](c1ccc(Cl)cc1)N1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 441355794 KYCYRBXTSZNVGT-OAHLLOKOSA-N 427.892 4.177 5 20 IIBD Cc1c(NC(=O)[C@H](C)N2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)cccc1[N+](=O)[O-] 443661539 UKTFMZVIEDVYPB-LSDHHAIUSA-N 426.448 4.390 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CC(OCCCc2ccccc2)C1 444103254 BIELZNXACCDSFP-UHFFFAOYSA-N 448.469 4.433 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC(CO)(Cc2ccccc2)CC1 444604258 AYGXIQHIMRPFJT-UHFFFAOYSA-N 437.521 4.176 5 20 IIBD COc1ccc(NC(=O)CCN[C@@H](C)c2ccc(Br)s2)c([N+](=O)[O-])c1 444764082 ASPMFPUBWFARSD-JTQLQIEISA-N 428.308 4.107 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])c1cc(Br)sc1Br 460496524 QXGNGNXZZZWIJN-UHFFFAOYSA-N 434.109 4.154 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2cnc(C)c2C)cc1 462766390 KNQNMMFQDMFSJY-UHFFFAOYSA-N 426.498 4.388 5 20 IIBD CCOc1ccc(NC(=O)c2ccc(NC(=O)CN(C)c3ccccc3[N+](=O)[O-])cc2)cc1 463241127 CPSFVVWCWYWROM-UHFFFAOYSA-N 448.479 4.321 5 20 IIBD CN(CC(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1)c1ccccc1[N+](=O)[O-] 463737099 DGJVJIYNVSAYPI-WJOKGBTCSA-N 437.521 4.119 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C 463968869 NCHSLSRLPMIBLD-GOSISDBHSA-N 426.473 4.164 5 20 IIBD COc1cc2c(cc1NC(=O)c1ccc(Nc3ccccc3)c([N+](=O)[O-])c1)NC(=O)CC2 464456535 RWCPLKUPWRLTKV-UHFFFAOYSA-N 432.436 4.484 5 20 IIBD O=C(c1ccnc(OCc2ccccc2)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464625541 CDYKYMVIBIQPQU-UHFFFAOYSA-N 433.464 4.252 5 20 IIBD Cc1ccc([C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)c2cccc(S(C)(=O)=O)c2)cc1 466273026 QDIQSRHTJBRYOR-OAQYLSRUSA-N 439.493 4.218 5 20 IIBD C[C@H]1CN(Cc2ccccc2NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 467168616 JTHNMQNHLBENQU-GJZGRUSLSA-N 432.908 4.179 5 20 IIBD CCOc1cc2c(cc1OCC)CN(C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)CC2 467216317 XCYJMTKJYQJXFP-UHFFFAOYSA-N 433.892 4.314 5 20 IIBD Cn1cc(Nc2cccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Br)c2)cn1 468981258 OPWWPUFLFAHUIC-UHFFFAOYSA-N 430.262 4.016 5 20 IIBD COc1cc(C(=O)Nc2nnc(-c3cc4ccccc4o3)s2)c([N+](=O)[O-])cc1OC 470377446 XHVSJFCHYWSGBY-UHFFFAOYSA-N 426.410 4.129 5 20 IIBD O=C(Nc1nnc(-c2ccc(Cl)cc2F)s1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 470621546 SDJOORRVWVLQIP-UHFFFAOYSA-N 444.835 4.344 5 20 IIBD Cc1sc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1CS(C)(=O)=O 471997651 FZRCUEXCSJPKKZ-UHFFFAOYSA-N 444.534 4.356 5 20 IIBD Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 472615981 ZWNCOZHRSVEJOR-SFHVURJKSA-N 427.457 4.143 5 20 IIBD CC[C@H](C)Sc1ccc(NC(=O)C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)c(C)c1 473250024 OTWVUJZDWJXPMB-AWEZNQCLSA-N 431.514 4.057 5 20 IIBD COC(=O)COc1ccc(CNc2ccc(N3CCCC[C@@H]3C)cc2C)cc1[N+](=O)[O-] 473981633 DJMGXOCENCGBPI-KRWDZBQOSA-N 427.501 4.446 5 20 IIBD O=C(Nc1cc(-c2ccccc2)ns1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 475488597 SLYSONAXPIXPAF-AWEZNQCLSA-N 428.495 4.023 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N(Cc1ccccc1)CC1(O)CCCC1 475505917 WCYHSGXDAYHGMJ-UHFFFAOYSA-N 437.540 4.145 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 475566101 NKLIITJIBPLBHS-UHFFFAOYSA-N 446.891 4.453 5 20 IIBD O=C(NC[C@@H]1CC[C@@H](O)C1)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 476557435 ZSTPENBMFCPVGF-TZMCWYRMSA-N 429.523 4.247 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@@]4(CCCN(Cc5ccccc5)C4)C3)n2)cc1 477070081 RWEWUAUGXHIIMJ-XMMPIXPASA-N 433.512 4.133 5 20 IIBD CCOc1cc(N2CCN(C(=O)CCc3c[nH]c4c(C)cccc34)CC2)ccc1[N+](=O)[O-] 477355791 WJMAUYAHJIUVHA-UHFFFAOYSA-N 436.512 4.065 5 20 IIBD O=c1c(Br)cn(Cc2nc(-c3ccccc3Cl)cs2)cc1[N+](=O)[O-] 479106678 SWINBUJEHQEQRN-UHFFFAOYSA-N 426.679 4.344 5 20 IIBD COC(=O)[C@@](C)(NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 479236864 BEROEFLXUYROJD-IBGZPJMESA-N 425.268 4.039 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 482314042 CIJHEXDLTRWUHQ-HNNXBMFYSA-N 437.525 4.136 5 20 IIBD Cc1c([C@H](C)NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)oc2ccccc12 484560406 UURQNWHDCNGDOT-NSHDSACASA-N 433.367 4.067 5 20 IIBD CCN(C(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-])[C@@H](C)C(F)(F)F 484646098 OCRYDSAVGGWKRY-JTQLQIEISA-N 433.408 4.052 5 20 IIBD CCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)[C@H](C)Cc1ccccc1C(F)(F)F 484686696 ZBFDBWFFMNZTTR-CYBMUJFWSA-N 426.439 4.297 5 20 IIBD O=C(NCc1ccc(N2CCCCC2)nc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 485757832 UVYBNCNOMFTWMX-UHFFFAOYSA-N 446.507 4.489 5 20 IIBD CC(=O)c1cc(NC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1F 486932622 IORGMKILIALTOH-UHFFFAOYSA-N 428.342 4.189 5 20 IIBD O=[N+]([O-])c1cc(CNCc2cc(Br)c3c(c2)OCO3)cc(C(F)(F)F)c1 487171804 JWGQZAKKFIYNNX-UHFFFAOYSA-N 433.180 4.395 5 20 IIBD Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 487512325 JQULOPDDNCVTPL-UHFFFAOYSA-N 437.200 4.288 5 20 IIBD Cc1cccn2c(NC(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)c(-c3ccccc3)nc12 488370427 QKCXLHMXVWQRAV-UHFFFAOYSA-N 445.483 4.283 5 20 IIBD COC(=O)c1ccc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1Cl 488519624 AFIXQEMVZHCRAF-UHFFFAOYSA-N 431.754 4.375 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 488559407 YOBPPLRLDMDTMA-UHFFFAOYSA-N 443.525 4.068 5 20 IIBD CCC[C@H](NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)N1CCc2sccc2C1 489138255 LXAOPGLDEHUVNB-QAPCUYQASA-N 444.557 4.079 5 20 IIBD CC(C)N(C)S(=O)(=O)c1ccc(N(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 489644175 VJRLSFOQUJSDQB-UHFFFAOYSA-N 447.538 4.115 5 20 IIBD COc1cc(CN2CCC(N(C)c3ccccc3)CC2)c([N+](=O)[O-])cc1OCC(F)F 490567881 NJGHBZHJKHLZLC-UHFFFAOYSA-N 435.471 4.348 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@]2(CC)CCC(=O)NC2=O)cc1 492168619 NXEBXCUKMACGDH-QFIPXVFZSA-N 441.509 4.044 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 496519776 LVBHGNQCFXXHSH-KKSFZXQISA-N 435.480 4.003 5 20 IIBD CN1CCO[C@H]([C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccc(Cl)cc2)C1 498487390 CBCIDGMTRBWSAJ-ROUUACIJSA-N 439.299 4.095 5 20 IIBD CCc1cc(N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 498805368 KDKFQXSETFJAKW-OAHLLOKOSA-N 440.525 4.215 5 20 IIBD COc1ccc([C@H]2C[C@H](NC(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)C2)cc1F 502219530 DTYYQFUPRXEDDH-HAQNSBGRSA-N 425.363 4.412 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(COCCc2ccccc2)c1 502790745 SLTSKSUYPIMGBE-GOSISDBHSA-N 447.491 4.111 5 20 IIBD CCOc1cc(NC(=O)NCC2(c3ccccc3OC)CC2)c([N+](=O)[O-])cc1OCC 503064022 HSJHHCHZASBQAA-UHFFFAOYSA-N 429.473 4.254 5 20 IIBD COC(=O)[C@]1(C)CN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C[C@H]1C 503206981 RSLGHPZLZORDEY-JSVDNDDVSA-N 445.903 4.059 5 20 IIBD C[C@H](CNC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)Oc1ccccc1 505666090 WDKITMBEEUEAJQ-QGZVFWFLSA-N 447.491 4.089 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](c1cccc(OC(F)(F)F)c1)C1CC1 511611684 SFWSULNARKPEDS-IBGZPJMESA-N 439.390 4.181 5 20 IIBD O=C(NC1CCCCC1)C1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 512350290 LCHGWBJILFFEHO-UHFFFAOYSA-N 428.558 4.379 5 20 IIBD CCC[C@@H](NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 513566757 GZCKCDARQIVYKV-OAHLLOKOSA-N 444.431 4.288 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C(=O)Nc2ccccc2)c2ccccc2)cc1OC 515130447 RRFCONBNQDIWKO-QFIPXVFZSA-N 449.463 4.112 5 20 IIBD Cc1ccc(-n2cnnc2SCC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1Cl 516523472 CJUFYNKFAGBRNN-ZDUSSCGKSA-N 431.905 4.107 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3nc(-c4cccs4)nn3C)cc2[N+](=O)[O-])C1 516603977 KMKZXLSBDZFVDG-KBPBESRZSA-N 440.529 4.186 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 517443398 QPPMKGPVCIBXRM-INIZCTEOSA-N 439.516 4.296 5 20 IIBD C[C@H]1C[C@H](C)CN(Cc2ccc(CNC(=O)c3cc(O)nc4ccc([N+](=O)[O-])cc34)cc2)C1 517643352 WPDLACDQGVKRGQ-IRXDYDNUSA-N 448.523 4.257 5 20 IIBD O=C1[C@H](Sc2nnc(Nc3ccccc3F)s2)CCN1c1cccc([N+](=O)[O-])c1 521837476 KXXXIUBUSNAHPD-OAHLLOKOSA-N 431.474 4.227 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1C[C@H]1c1cccc(Br)c1 522637022 CNURUEKRDJRPSR-GJZGRUSLSA-N 439.693 4.452 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N=c1nc(-c2cccc(Cl)c2)[nH]s1 522641256 YWAFHLHBSRFESX-UHFFFAOYSA-N 439.280 4.250 5 20 IIBD CCN([C@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC 522717236 QBURPLIAFWRFHP-GFCCVEGCSA-N 432.420 4.394 5 20 IIBD Cc1ccc(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] 523713998 YWPSVIZWALEUIX-APWZRJJASA-N 435.402 4.470 5 20 IIBD CN(c1ccccc1)c1ccc(CN[C@@H]2CCCN(CC(F)(F)F)C2=O)cc1[N+](=O)[O-] 532568459 CXLOHILHUMYVFQ-QGZVFWFLSA-N 436.434 4.006 5 20 IIBD COc1cc(C(=O)NCCc2ncc(C)cn2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 534732391 RTQZRGXCRXUELG-UHFFFAOYSA-N 442.859 4.120 5 20 IIBD Cc1oc(-c2cccs2)nc1CS(=O)(=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534795982 VGCNFVVCJBFCFS-UHFFFAOYSA-N 445.478 4.390 5 20 IIBD COc1cc(CN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C2CC2)ccc1O 535639954 AHPPDTAFKFSTLW-UHFFFAOYSA-N 435.274 4.185 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2ccccc2)[C@H]1C 535667089 ZLASPBUMNYVRPZ-CRAIPNDOSA-N 428.510 4.268 5 20 IIBD COC(=O)[C@@H]1CC12CCN(Cc1ccc(-c3ccc([N+](=O)[O-])cc3Br)o1)CC2 539827362 SZCQWBHJPDHWNK-INIZCTEOSA-N 449.301 4.392 5 20 IIBD O=C(Cc1csc(-c2cc(Br)cs2)n1)Nc1cc([N+](=O)[O-])ccc1O 539970608 FTTYQEASUQGGTB-UHFFFAOYSA-N 440.300 4.429 5 20 IIBD C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(SCC(F)F)cc1 541739968 BYTTVWLJZSZLKK-CYBMUJFWSA-N 430.498 4.077 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)C(=O)NCc1ccccc1 544434625 YZMYZHREPQNAIZ-MRXNPFEDSA-N 441.553 4.312 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1nc(Cc2c[nH]c3ncccc23)no1 545005106 YTUUNJVBUGCNMO-UHFFFAOYSA-N 432.362 4.118 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(-c3nc(CN(C)C(=O)c4ccccc4)no3)cc2[N+](=O)[O-])C1 546435282 SHHUDEJKCGIQJB-IRXDYDNUSA-N 449.511 4.399 5 20 IIBD CC(C)n1ncc2cc(-c3nc(Cc4ccc([N+](=O)[O-])cc4Br)no3)cnc21 547156694 XHSXNNMPGBQPSS-UHFFFAOYSA-N 443.261 4.324 5 20 IIBD COc1ccc(Br)c(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c1 559104787 YKCBGJIHRXCJEV-UHFFFAOYSA-N 433.180 4.315 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC1(c2cccc(C(F)(F)F)c2)CC1 559670491 ZKHQLOWGTSVZOA-UHFFFAOYSA-N 449.385 4.107 5 20 IIBD CC1CCN([C@@H](CN[C@H](c2cccc([N+](=O)[O-])c2)c2nccn2C)c2ccccc2)CC1 560514095 FKWAKIPLQXLDKJ-BJKOFHAPSA-N 433.556 4.481 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(N(C(C)=O)[C@H]3C[C@H]3C)cc2)cc1SC 561374926 PSQZJPZXAWRDRY-PXAZEXFGSA-N 429.498 4.339 5 20 IIBD Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 565381230 UOVVJHTVEPGRGO-GFCCVEGCSA-N 445.829 4.090 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CNCc2ncoc2-c2ccccc2)c1 566671130 QAFOFFFZDOPSHO-UHFFFAOYSA-N 435.221 4.144 5 20 IIBD COC(=O)c1ccc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c(F)c1 569486864 MSTHRSTYIQMEPW-ZIAGYGMSSA-N 429.448 4.255 5 20 IIBD Cc1c(C(=O)Nc2ccc(Cl)cc2OCC(F)F)nnn1-c1cccc([N+](=O)[O-])c1 573841836 PDPGRKVEJCICSM-UHFFFAOYSA-N 437.790 4.034 5 20 IIBD COc1cccc(OC(F)(F)F)c1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F 578683237 RLNKGEOLLJWXFO-UHFFFAOYSA-N 430.354 4.235 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CC[C@]2(CCc3ccccc3O2)C1 583055030 AKTRJSXDWCLTAV-HXUWFJFHSA-N 436.386 4.146 5 20 IIBD Cc1c(NC(=O)C(=O)NC2(c3ccc(C(F)(F)F)cc3)CCCC2)cccc1[N+](=O)[O-] 584202949 QBMSMYKIXNYAQV-UHFFFAOYSA-N 435.402 4.446 5 20 IIBD CCOc1ccc(NC(=O)CN[C@H](C)c2ccc(Br)cc2F)c([N+](=O)[O-])c1 586788628 LYGFWMZDLVEHKN-LLVKDONJSA-N 440.269 4.184 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC(Cc2cccc(C(F)(F)F)c2)C1 590423973 ZMMWATBQMKNRND-UHFFFAOYSA-N 430.386 4.114 5 20 IIBD O=C(CCCOc1ccccc1)Nc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1 603761980 VFFYQXJWXAOPEW-UHFFFAOYSA-N 433.464 4.323 5 20 IIBD CNc1ccc(C(=O)N[C@@H](C)c2ccc(OCc3ccncc3)c(OC)c2)cc1[N+](=O)[O-] 603828644 SLMIDNQXAJXXPP-HNNXBMFYSA-N 436.468 4.110 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(NCCNc3ncc(C(F)(F)F)cc3Cl)cc2N1 603840791 UFINTFFDBQZPKQ-UHFFFAOYSA-N 429.786 4.071 5 20 IIBD COc1ccc(C(=O)N2c3ccccc3CC[C@H]2C(=O)Nc2ccccc2)cc1[N+](=O)[O-] 608799618 YPYXCHFZXLGGNC-FQEVSTJZSA-N 431.448 4.204 5 20 IIBD Cc1nn(CCC(=O)N[C@H](c2ccc(F)cc2)c2ccccc2Cl)c(C)c1[N+](=O)[O-] 608805353 ZAVXWJKYJQRGTH-HXUWFJFHSA-N 430.867 4.497 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N(CCc1ccccn1)Cc1ccc(F)cc1 608880405 AUBXAEPCHPKREH-UHFFFAOYSA-N 432.455 4.355 5 20 IIBD Cc1nc(-c2ccc([C@@H](C)NC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)cc2)cs1 608934507 CRCKWMAYHPJPDD-GFCCVEGCSA-N 425.466 4.289 5 20 IIBD O=C(N[C@@H](c1ccc(Cl)cc1)C1CCCC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 609213411 HIOWZPJVQMZPAG-OAQYLSRUSA-N 443.935 4.406 5 20 IIBD CC[C@H](C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)C(=O)N1CCC(Cc2ccccc2)CC1 609374157 RZRKPRLOCFCASQ-HRAATJIYSA-N 443.569 4.282 5 20 IIBD CC(C)N[C@@H]1CCCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 609385586 BXEYYSQEYSAOBU-UTKZUKDTSA-N 430.936 4.390 5 20 IIBD O=C(Nc1cccc(CSC2CCOCC2)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 609699240 SDTJCQMVJYZNPT-UHFFFAOYSA-N 430.482 4.031 5 20 IIBD CSC[C@H](C)N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 609901639 MLBISZVGDAZNBQ-SJCJKPOMSA-N 438.347 4.378 5 20 IIBD COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 609995890 OIIUAQUJAQMHQC-KUHUBIRLSA-N 447.919 4.279 5 20 IIBD O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 609997419 OVWYRYILPYWHAG-IBGZPJMESA-N 439.487 4.072 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 610070474 CDASPGLVYRPXMY-SFHVURJKSA-N 442.491 4.117 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCc1ccc(NC(=O)c2cccnc2)cc1 610100747 GALUJHCWGNWXOQ-UHFFFAOYSA-N 447.495 4.064 5 20 IIBD O=C(NCCCOC[C@@H]1CCOC1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 610118795 JGMHIXLOTVGNCN-HNNXBMFYSA-N 434.876 4.214 5 20 IIBD COC(=O)c1ccc(OCc2ncc(-c3ccccc3Br)o2)c([N+](=O)[O-])c1 610217181 BSONTMMNPLDNBP-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])N(CCCn1ccnc1)Cc1c(F)cccc1Cl 610605342 YTDULSIPXSZFMZ-UHFFFAOYSA-N 446.866 4.082 5 20 IIBD O=C(O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 618939871 URQPETKKEWCDHN-UHFFFAOYSA-N 431.754 4.386 5 20 IIBD C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 619578191 CTUVAZSBEQVJMX-AZFSHXRASA-N 439.350 4.078 5 20 IIBD CSc1ccc(COC(=O)c2ccc([N+](=O)[O-])cc2I)cc1 726031288 TUBVGFYUVAGSJQ-UHFFFAOYSA-N 429.235 4.278 5 20 IIBD C[C@@H](Cc1ccsc1)NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727476201 PELCRHKIHXVORM-ZDUSSCGKSA-N 442.463 4.138 5 20 IIBD Cc1nc2ccccc2nc1CN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727585724 JLFCBXIARCCYLC-UHFFFAOYSA-N 431.418 4.187 5 20 IIBD CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 727987963 NFXNLRPLUNRLEI-OUQSZRGKSA-N 446.554 4.223 5 20 IIBD C[C@H](OC(=O)[C@@H]1CCOc2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 728356478 JHNIKXLSDMXUCM-SMDDNHRTSA-N 438.358 4.050 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(c2ccc(N3CCOCC3)cc2)C(C)C)cc1SC 728473509 NDIYAYKJEOMQJK-UHFFFAOYSA-N 445.541 4.217 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCc2nc(-c3ccc(Cl)cc3)no2)cc1SC 728651058 PSQVAVOREMNBKC-UHFFFAOYSA-N 435.845 4.386 5 20 IIBD COc1ccc([C@@H]2NC(=O)N(Cc3cccs3)C(C)=C2C(=O)OC(C)C)cc1[N+](=O)[O-] 730203894 YXWYQWBZCCSKNA-IBGZPJMESA-N 445.497 4.157 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@@H](Sc1cc(F)ccc1F)c1ccccc1 730398608 LCOFJTPFWVOOBD-IBGZPJMESA-N 433.436 4.455 5 20 IIBD CC(C)(C)OC(=O)N1CCc2cc(NC(=O)NCCOc3ccc([N+](=O)[O-])cc3)ccc21 731752888 CEFLNZHCTROKQL-UHFFFAOYSA-N 442.472 4.093 5 20 IIBD C[C@H](OC(=O)c1csc([N+](=O)[O-])c1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 732326340 CLXZEOHSGRPZQJ-QMMMGPOBSA-N 439.421 4.242 5 20 IIBD C[C@H](c1cc2ccccc2o1)N(C)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 733184158 AHVTXKPXYRBLEB-OAHLLOKOSA-N 429.498 4.323 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cc(NC(=O)OC(C)(C)C)ccc1F 735489843 GMHKKEOKCVFKSP-UHFFFAOYSA-N 434.424 4.140 5 20 IIBD COc1ccc([C@@H]2[C@H](COC(=O)c3cc(SC)c(OC)cc3[N+](=O)[O-])CCN2C)cc1 735906987 ZTUHNUGMQXZBGC-YCRPNKLZSA-N 446.525 4.184 5 20 IIBD Cc1ccc(/C=C2\SC(=O)N(CCNC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C2=O)cc1 735990229 AMQCPDQEEYVSTF-IUXPMGMMSA-N 445.884 4.023 5 20 IIBD CC(C)(C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(F)c1 736876805 SDTPGXPBCGBAEZ-UHFFFAOYSA-N 428.338 4.212 5 20 IIBD CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)OC1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 744173457 FREKIFSGPVUDGA-LRQRDZAKSA-N 434.533 4.489 5 20 IIBD C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 744420993 ALSWREFZMLOVLP-ZDUSSCGKSA-N 448.863 4.027 5 20 IIBD Cc1cc(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1NC(=O)CC(C)C 745295272 FWPZDFPTWFGHOO-UHFFFAOYSA-N 438.440 4.295 5 20 IIBD COc1cc(C(=O)OCc2cc(Cl)ccc2[N+](=O)[O-])c([N+](=O)[O-])cc1OC(F)F 746062066 BBWRFMNEYVZEDH-UHFFFAOYSA-N 432.719 4.123 5 20 IIBD Cc1cc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 747084623 MEANCOZBXVUVRA-MRXNPFEDSA-N 427.505 4.101 5 20 IIBD CC(C)Oc1ccc(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c(F)c1 748052551 VWYDLOQFOOQTPH-UHFFFAOYSA-N 433.255 4.084 5 20 IIBD O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)c1cc(Br)cc([N+](=O)[O-])c1Cl 749435726 IMAGMIWLZUQQJR-CYBMUJFWSA-N 441.665 4.431 5 20 IIBD CC[C@@H](C(=O)OCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 752576515 CMPZWUSBAOPEHM-OAHLLOKOSA-N 440.374 4.298 5 20 IIBD Cc1cc(COC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nc(C)n1 754483335 NSCMRHZACSGWSW-UHFFFAOYSA-N 425.828 4.243 5 20 IIBD C[C@@H](OCCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1ccccc1 754633429 XLERBEQCNZFTDI-GFCCVEGCSA-N 425.254 4.394 5 20 IIBD CCOc1cc(COC(=O)c2nc(-n3nc(C)cc3C)ccc2Cl)ccc1[N+](=O)[O-] 755508566 TYWHIGCYIHYMBE-UHFFFAOYSA-N 430.848 4.201 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C(=O)Nc1ccccc1Oc1ccccc1 758094141 YTEYLWSLYKAQJL-CYBMUJFWSA-N 439.399 4.292 5 20 IIBD CC(=O)N(Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2Br)cc1)C1CC1 758396951 IHGASVJGHFFONF-UHFFFAOYSA-N 432.274 4.121 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 758403309 MUQVWSAFEHYYCX-AEFFLSMTSA-N 429.521 4.041 5 20 IIBD Cc1cc(F)cc(C(=O)N2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)c1[N+](=O)[O-] 758510333 SUCFGIPPXIDWMN-UHFFFAOYSA-N 439.487 4.086 5 20 IIBD O=C(Nc1ccccc1)c1ccc(C(=O)O[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 759446101 RCCYUACNGXSJFH-VQTJNVASSA-N 434.452 4.384 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)Nc1cccc(F)c1I 760004447 UIGXWDPSHFVPEA-UHFFFAOYSA-N 449.607 4.314 5 20 IIBD C[C@@H](c1nc(-c2cccs2)no1)N1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 761505970 JUFSZXUHRHURSB-ZDUSSCGKSA-N 433.921 4.239 5 20 IIBD C[C@H](OC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C(=O)N(c1nccs1)C1CCCCC1 762905386 WYOVLCKRELPDOT-ZDUSSCGKSA-N 442.497 4.444 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(COc2ccc3c(c2)OCCCO3)c1=S 765010814 LQTDPDIIZSHLNN-UHFFFAOYSA-N 428.470 4.207 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 765524364 KOEBWTRTUOBLMK-PKOBYXMFSA-N 439.512 4.334 5 20 IIBD COCc1nc(COC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)no1 767741753 NBHXJOXUFLFYLJ-UHFFFAOYSA-N 435.845 4.286 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 767880582 BYHKYYLSPWNSOT-HIFRSBDPSA-N 437.418 4.439 5 20 IIBD CCOc1cc(C(=O)O[C@@H](Cc2cccc(Cl)c2F)C(C)=O)c([N+](=O)[O-])cc1OC 768413995 BIRFJZSAQKVEII-INIZCTEOSA-N 439.823 4.152 5 20 IIBD COc1ccc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1C1CC1 769477319 IXIDYWOTESLNPK-UHFFFAOYSA-N 438.358 4.295 5 20 IIBD CC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@@H]1NC(=O)OC(C)(C)C 769485183 LQMBUEBYQLHLSQ-CJNGLKHVSA-N 429.464 4.321 5 20 IIBD Cc1cc(Br)c(S(=O)(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)s1 769630452 JJVHGKHNKLTBPN-UHFFFAOYSA-N 425.713 4.490 5 20 IIBD CCc1sc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C(N)=O)c1C 770714748 XELHXAUYROPUGV-UHFFFAOYSA-N 444.435 4.086 5 20 IIBD COc1ccccc1[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1nccn1C 771763216 BZNQENYNALRKJT-KRWDZBQOSA-N 449.389 4.267 5 20 IIBD O=C(CCc1nc(-c2ccsc2)no1)OCc1ccc(Br)c([N+](=O)[O-])c1 773364907 VAWZBNQBLWGOQJ-UHFFFAOYSA-N 438.259 4.145 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1)c1ccn(C)n1 774136711 GGFQPTOCMNUFCE-UHFFFAOYSA-N 433.512 4.064 5 20 IIBD CC(C)([C@H](OC(=O)CSc1ccncc1)c1ccc(Br)cc1)[N+](=O)[O-] 774373163 KPKHFCJQPFZSGQ-MRXNPFEDSA-N 425.304 4.276 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 775694182 UEOMKBPYIYGZRA-QFBILLFUSA-N 430.505 4.423 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F 776599382 ZBTDDPYWWBQCBM-QUCCMNQESA-N 434.418 4.324 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCc1nc2ccc(Br)cc2[nH]1 780520880 KNAROVPTWXTZOQ-UHFFFAOYSA-N 429.230 4.001 5 20 IIBD Cn1ccnc1[C@@H](NCC1(NC(=O)OC(C)(C)C)CCCCC1)c1cccc([N+](=O)[O-])c1 780765834 OQSNLPLHQVZEOS-IBGZPJMESA-N 443.548 4.235 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 780776440 TUOGIZFRUZJSRW-UHFFFAOYSA-N 440.500 4.187 5 20 IIBD O=C(NC[C@@H](O)c1ccccc1C(F)(F)F)c1ccc2[nH]c3ccccc3c(=O)c2c1 780910511 GMISKLAUJNEYHZ-HXUWFJFHSA-N 426.394 4.164 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCc1cc(-c2ccc(Cl)cc2)no1 781737473 OISGCYWIEJBDFM-UHFFFAOYSA-N 431.788 4.487 5 20 IIBD CC(C)n1cc2c(n1)[C@@H](Nc1cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c1Cl)CCC2 785845939 VKPCNEQKNBLHRM-INIZCTEOSA-N 428.880 4.061 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1c(C)nc2ccc(Cl)cn12 786640144 LMHFLRJANONQNA-UHFFFAOYSA-N 448.888 4.112 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cc2c(cc1Sc1ccccc1)OCCO2 791344500 MMJFQMQVPFDDOI-UHFFFAOYSA-N 441.440 4.491 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(-n3ccc(C(F)(F)F)n3)cc2)c(C)c([N+](=O)[O-])c1 792626366 OEJCUQHQSFXJIN-UHFFFAOYSA-N 448.357 4.147 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)O[C@H](C)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 795710427 FJYPPGZJZCXWFO-CQSZACIVSA-N 442.468 4.406 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCCC[C@H]1c1ncc(-c2ccccc2)[nH]1 798222403 MLIWSFPXXFGLDJ-KRWDZBQOSA-N 430.461 4.040 5 20 IIBD COC(=O)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2Br)c1OC(C)C 798732398 PVWMUHSQBIVDHD-UHFFFAOYSA-N 437.246 4.183 5 20 IIBD O=C(OCc1nc(-c2ccccn2)cs1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 800338899 BMFMJWIWHMDWBI-UHFFFAOYSA-N 439.371 4.411 5 20 IIBD C[C@@H](CC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)OC(C)(C)C)CC1 801150490 WZKSMNAVGVALMY-KRWDZBQOSA-N 433.549 4.269 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)O[C@H](C(=O)Nc2cccc3ncccc23)C(C)C)c1F 803461533 ZCIAPVUMKQTZAQ-FQEVSTJZSA-N 425.416 4.411 5 20 IIBD C[C@H](OC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1)c1ccccc1[N+](=O)[O-] 805649869 TUHKURZMPGHCIC-KPZWWZAWSA-N 432.395 4.389 5 20 IIBD O=C(CCCc1ccccc1)N[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 806254058 YNKQLTBZSNEPOP-SFHVURJKSA-N 444.919 4.384 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3Cl)C[C@H]21 809919484 LDAMPKQTLMUEDW-MGPQQGTHSA-N 438.912 4.405 5 20 IIBD COC(=O)c1ccc(Cl)c(C(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])c1 810656909 OYCVKMHRNHMBPM-IBGZPJMESA-N 426.812 4.376 5 20 IIBD CC(=O)N[C@@H](CC(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccs1 811219424 QCMWAFKACDRYLH-INIZCTEOSA-N 431.495 4.091 5 20 IIBD COc1ccccc1-c1noc([C@@H](C)NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])n1 813029514 DBTQIYRXSOUGCP-SECBINFHSA-N 437.239 4.451 5 20 IIBD C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1nccn1-c1ccccc1 813647274 RZUOAVDHIUFVEL-NSHDSACASA-N 433.237 4.173 5 20 IIBD Cc1ccc([C@H](NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])c2ccccn2)cc1 815042512 LVHXFRAHJRFZFM-IBGZPJMESA-N 435.864 4.159 5 20 IIBD C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1cc(F)c([N+](=O)[O-])cc1F 816819456 FJSIVFHZJDPCFW-BTDLBPIBSA-N 430.329 4.494 5 20 IIBD O=C(Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1)c1ccccc1[N+](=O)[O-] 890307704 LUNUKOYGACXHKI-UHFFFAOYSA-N 432.344 4.496 5 20 IIBD CN(C)c1ccc(NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cc1 900998163 OVZIODNHRWSIAL-UHFFFAOYSA-N 432.480 4.210 5 20 IIBD CCc1c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cnn1-c1ccccc1 914630339 IZHRBRPSOQPYMZ-CYBMUJFWSA-N 442.859 4.180 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)O[C@@H](C)C(=O)N2CCCCCC2)cc1 915442073 LRKJXMRUZLLFRE-INIZCTEOSA-N 442.468 4.344 5 20 IIBD Nc1ccc(C(=O)Nc2nc(Cc3ccc(Br)cc3)cs2)cc1[N+](=O)[O-] 918139930 MXPBGVFTFFJSNK-UHFFFAOYSA-N 433.287 4.239 5 20 IIBD CCOC(=O)c1cc(C(=O)O[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cc([N+](=O)[O-])c1 918959476 VOJORMBUQWHJEP-LBPRGKRZSA-N 443.387 4.187 5 20 IIBD COc1ccc([C@H]2CCCCCN2C(=O)COC(=O)c2ccc([N+](=O)[O-])cc2F)cc1 919568410 QUTNHMOZSVEZOJ-HXUWFJFHSA-N 430.432 4.043 5 20 IIBD Cc1ccc(C(=O)N(C)C)cc1OC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 920115341 CDCOMCCUKZONSZ-INIZCTEOSA-N 448.479 4.392 5 20 IIBD Cc1ccc(OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C(=O)NCC(C)C)c1 920285350 ZUIRKLAJVWIOAL-UHFFFAOYSA-N 442.515 4.455 5 20 IIBD O=C(Cc1coc2ccc3ccccc3c12)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 920332410 ZCTQOPJCMLLKFC-UHFFFAOYSA-N 444.852 4.195 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@H](c2ccc(Cl)s2)C1 1116333658 QJTGIRCECSQJPM-YGRLFVJLSA-N 430.313 4.364 5 20 IIBD C[C@H](Sc1ccc(S(=O)(=O)C(F)(F)F)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 1319346246 PPKBRXGHSPNHAQ-JTQLQIEISA-N 434.417 4.008 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1-c1nnc(CN2CCN(Cc3ccc(Cl)cc3)CC2)o1 1322638260 PPKRLGMMHRVNAV-UHFFFAOYSA-N 448.310 4.269 5 20 IIBD CCCS(=O)(=O)Nc1cccc(NCc2ccc([N+](=O)[O-])cc2Br)c1C 1324136681 QUKBRRWKELYHRV-UHFFFAOYSA-N 442.335 4.430 5 20 IIBD Cn1cc([C@H](O)C[C@H]2CCCN2Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cn1 1341603700 BLEFXNOPEVPWIY-OXQOHEQNSA-N 430.892 4.330 5 20 IIBD CCCC(=O)Nc1cccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2N)c1C 1344690517 FVLJVJFAKKAHKH-UHFFFAOYSA-N 435.278 4.239 5 20 IIBD COc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c([N+](=O)[O-])c1 1347485211 WRDXARWUMRTYRU-OAHLLOKOSA-N 438.406 4.018 5 20 IIBD Cc1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C3)cc1 1801760948 DAYRZGVCFLHQCO-NUNAXRQHSA-N 449.551 4.107 5 20 IIBD Cc1cccc(F)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(F)ccc([N+](=O)[O-])c1C)C2 1803504849 PXTBCNDDULFUTK-MUJYYYPQSA-N 443.450 4.055 5 20 IIBD C[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc([N+](=O)[O-])o2)n[nH]1)c1ccccc1 1814313468 MGFPHXPZHLYVJU-RHSMWYFYSA-N 437.456 4.021 5 20 IIBD Cc1c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(C)CC3)[nH]n2)cc(Cl)cc1[N+](=O)[O-] 1821290431 BQDGAPDXZOWEBS-INIZCTEOSA-N 445.907 4.386 5 20 IIBD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(Cl)c2)CC1 1829975096 GDXPKDJPMOXYSD-IBGZPJMESA-N 444.919 4.123 5 20 IIBD O=C(CC1CCC1)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830498288 UUCQOKQBSMTMNZ-OAQYLSRUSA-N 431.508 4.157 5 20 IIBD C[C@@H]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830622188 TUFJVFWBHZOGRG-BLIXFSHQSA-N 445.535 4.403 5 20 IIBD Cc1ccc(C(=O)N2CC3(CCCN3C(=O)CCc3cccc([N+](=O)[O-])c3)C2)cc1Cl 1841806740 FCFLRFCIKUTGRY-UHFFFAOYSA-N 441.915 4.006 5 20 IIBD CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2C)c([N+](=O)[O-])c1 9810626 GVIQQCAVMZMKLU-UHFFFAOYSA-N 447.904 4.173 5 20 IIBD O=C(CSc1nc(C2CC2)nn1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl 10080964 AXSDKWFUDNVRCB-UHFFFAOYSA-N 429.889 4.437 5 20 IIBD CCCCCn1nc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c2ccccc2c1=O 10897952 NBOZMVNSKPDEDZ-UHFFFAOYSA-N 442.903 4.421 5 20 IIBD COc1cc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc(Cl)c1OCC(C)C 15381953 YQELAUYEZJSOCU-UHFFFAOYSA-N 447.919 4.254 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1C 15390278 MUZQYRHVLNWSAM-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD C[C@H](OC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)C(=O)NCc1cccs1 18520868 HYJOSBPXLONJPB-AWEZNQCLSA-N 425.466 4.262 5 20 IIBD CCOc1cc(C(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2C)c([N+](=O)[O-])cc1OC 18613513 QDHDCNIJIJFCTP-GFCCVEGCSA-N 436.848 4.148 5 20 IIBD C[C@H](Sc1nnc(COc2ccccc2Cl)n1C)C(=O)Nc1cccc([N+](=O)[O-])c1 24466496 JTKJPNXOZOJSCW-LBPRGKRZSA-N 447.904 4.075 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc1[N+](=O)[O-] 25147136 HAOFAUSZVCLAQI-UHFFFAOYSA-N 442.453 4.048 5 20 IIBD O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])N[C@H](c1ccccc1)c1cccs1 26909501 QRXICGQWGPFQSI-LJQANCHMSA-N 430.869 4.372 5 20 IIBD COc1ccccc1CN(Cc1cccs1)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 30476600 NYGUNEQZLIPEIJ-UHFFFAOYSA-N 449.492 4.088 5 20 IIBD CCNC(=O)c1ccc(CNC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)cc1 60437437 JAEBQOPRSJQYQT-UHFFFAOYSA-N 429.542 4.413 5 20 IIBD CCOc1c(Cl)cc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 64421232 IYVHGSZZSLXXPN-NSHDSACASA-N 443.283 4.393 5 20 IIBD O=C(NC1CCCCC1)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1Cl 100452212 ONSONJAUYLQOOU-UHFFFAOYSA-N 437.905 4.112 5 20 IIBD Cc1c(C(=O)Nc2ccccc2OCCc2ccccc2)nnn1-c1cccc([N+](=O)[O-])c1 106231697 HLFFTRUYENTLMS-UHFFFAOYSA-N 443.463 4.358 5 20 IIBD COC(=O)c1cc(N2CCc3ccc([N+](=O)[O-])cc3C2)c2cc(Br)ccc2n1 301602430 KCBQNJTZDCVJRQ-UHFFFAOYSA-N 442.269 4.255 5 20 IIBD Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 301631154 JCLQEUHLHGCLAW-MRXNPFEDSA-N 440.953 4.154 5 20 IIBD CN(Cc1ccc(Br)o1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 426264671 QZJLFGFGHYVVGF-UHFFFAOYSA-N 436.184 4.311 5 20 IIBD COC[C@H](C)n1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)n1 426375841 AXPPKVSQHQZHIH-ZDUSSCGKSA-N 446.916 5.056 5 20 IIBD CCCn1ccc2cc(NC(=O)C(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)ccc21 427886569 PNEVRBMNGFQDGK-UHFFFAOYSA-N 448.401 4.233 5 20 IIBD CCn1ccnc1[C@H]1CCCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 430006832 ZOFJGELQCOXQHR-CYBMUJFWSA-N 433.317 4.034 5 20 IIBD COc1ccc(NC(=O)c2ccccc2SCc2occc2C(=O)O)cc1[N+](=O)[O-] 432140047 OKAMDYKLQPENRB-UHFFFAOYSA-N 428.422 4.439 5 20 IIBD Cc1cc(CNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)nc(N2CCCC2)n1 433166208 JPZADNCEVIKIEZ-UHFFFAOYSA-N 448.483 4.407 5 20 IIBD COc1cccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)c1[N+](=O)[O-] 435646578 KNWYBHJOZHNDNW-UHFFFAOYSA-N 428.448 4.386 5 20 IIBD CCCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCN(C(=O)c2ccccc2)CC1 439883583 PQTPIGUGRSYZTG-UHFFFAOYSA-N 449.511 4.162 5 20 IIBD C[C@H](c1ccc(Cl)cc1)N1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 444170639 NGGXHMVHZISQKR-OAHLLOKOSA-N 427.892 4.177 5 20 IIBD COc1cccc(C(=O)NCCCCN2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-] 444261151 WHJYWWSZENMEOO-UHFFFAOYSA-N 425.529 4.068 5 20 IIBD O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCCc2c[nH]c3ccc(Br)cc23)n1 447598527 VKYOXMLBFQZJDO-MSOLQXFVSA-N 432.322 4.351 5 20 IIBD COc1cc(OC)c(OC)cc1CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] 447673410 UDAYKYYPJMASDN-UHFFFAOYSA-N 437.321 4.282 5 20 IIBD COc1cc(CCNC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])cc1OC 460794360 NOYFARMMBKXWLE-CVEARBPZSA-N 439.295 4.381 5 20 IIBD C[C@@H](Sc1ccc(Br)cc1)C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 461396421 LZWVQCOUCBTETQ-GFCCVEGCSA-N 437.315 4.259 5 20 IIBD C[C@@H]1C[C@@H]1[C@@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(Cl)cc1 461420221 WECMEIVZWZQEDK-WQBCIRTESA-N 436.295 4.145 5 20 IIBD COc1cc(C(=O)N2CC[C@H](n3cccn3)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 462392647 WHBMBSGCOKMWBY-INIZCTEOSA-N 442.859 4.333 5 20 IIBD Cc1ccccc1[C@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@@H](C)CO1 462413357 BCEDGABNJTXEBM-YVEFUNNKSA-N 445.324 4.361 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1C 462618612 QEQONDSHVLKBNQ-KRWDZBQOSA-N 447.557 4.187 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC(c2cccc3ccccc23)CC1 465174677 JFRSAOMDGZPGJU-UHFFFAOYSA-N 432.476 4.468 5 20 IIBD Cc1ccc(Cn2cccc(NC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)c2=O)cc1 467443611 CRCHIUHYCPIKRT-UHFFFAOYSA-N 426.860 4.088 5 20 IIBD COc1cc(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3n2C(C)C)ccc1[N+](=O)[O-] 468956732 OGLQRPJQGBVYDN-IBGZPJMESA-N 444.513 4.060 5 20 IIBD O=c1c2ccccc2nc(SCCn2cc([N+](=O)[O-])cn2)n1-c1ccc(F)c(Cl)c1 470845826 WTSPPOFMVPQRGG-UHFFFAOYSA-N 445.863 4.075 5 20 IIBD O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1 472281976 DIYJYWCMFPSQDK-HNNXBMFYSA-N 440.399 4.273 5 20 IIBD COc1cc(C(=O)Nc2cc(I)ccc2Cl)cc([N+](=O)[O-])c1C 477817729 GSZYSOZUPMMJHT-UHFFFAOYSA-N 446.628 4.422 5 20 IIBD CCn1c(S[C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)nnc1-c1ccc([N+](=O)[O-])cc1 481333538 CECYOYURYDBZKD-CVEARBPZSA-N 439.541 4.274 5 20 IIBD Cc1c([C@H](C)NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)oc2ccccc12 481695018 MQGKVOKBPZMDHC-ZDUSSCGKSA-N 437.481 4.420 5 20 IIBD CCC[C@H](NC1CCN(C(=O)Cc2ccccc2OC)CC1)c1cccc([N+](=O)[O-])c1 482113114 XJCOHHOTCMKXQH-QFIPXVFZSA-N 425.529 4.268 5 20 IIBD COc1ccc(CCC(=O)N2CCN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)CC2)cc1 484890049 DPIKMVTUEDVBJL-UHFFFAOYSA-N 441.528 4.062 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCC[C@H]3CC(=O)c3cnn(C)c3)c([N+](=O)[O-])c2)cc1 485164157 XOERWLCZMKWNHF-FQEVSTJZSA-N 447.495 4.131 5 20 IIBD CCCS(=O)(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC)c1C 488376516 OHDGSNQJULPSTP-UHFFFAOYSA-N 437.543 4.419 5 20 IIBD CCn1cc([C@@H]2C[S@@](=O)CCN2Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cn1 488544340 NKKXNFKCUIEHSK-ADSBAMQRSA-N 448.932 4.030 5 20 IIBD C[C@@H]1CCc2c(sc3nc([C@@H](C)N4CCC(n5ccc([N+](=O)[O-])n5)CC4)nc(O)c23)C1 488771257 QNDINBXOQWRUNB-CHWSQXEVSA-N 442.545 4.025 5 20 IIBD COc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3F)nnc2-c2cnccn2)cc1 488921497 SYMOKIUAMBEONR-UHFFFAOYSA-N 438.444 4.073 5 20 IIBD CCCN(CCC)C(=O)c1cccc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)c1 489937233 SZPCWFYCQJXVRP-UHFFFAOYSA-N 435.484 4.499 5 20 IIBD COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] 490796505 MIHWNLYJLZAGQP-OAHLLOKOSA-N 444.818 4.318 5 20 IIBD CS(=O)(=O)c1cccc([C@H](NCCc2ccc([N+](=O)[O-])cc2)c2cc(F)ccc2F)c1 491022972 QNEHQRQKAVKBJV-QFIPXVFZSA-N 446.475 4.198 5 20 IIBD CCOc1cc(CN[C@H](C)c2cc3c(cc2Br)OCCO3)ccc1[N+](=O)[O-] 492608034 ORDBRJZPFSIKDL-GFCCVEGCSA-N 437.290 4.378 5 20 IIBD O=C(Nc1cccc(NS(=O)(=O)Cc2ccccc2)c1)Nc1cccc([N+](=O)[O-])c1 494426779 CNZVWVFWHBVGFX-UHFFFAOYSA-N 426.454 4.181 5 20 IIBD Cc1ccc(NC(=O)N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn34)C2)cc1[N+](=O)[O-] 495118367 BNUGAXBXODFZNY-ZDUSSCGKSA-N 448.405 4.376 5 20 IIBD C[C@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)NC[C@@H](C)c1ccccc1 495394908 VVWWFVVXDMQVQE-SJORKVTESA-N 431.561 4.487 5 20 IIBD O=C(Nc1cc(Cl)ccc1C(=O)N1CCCC1)c1cc([N+](=O)[O-])ccc1OC(F)F 497809014 RGQDJFZTPWGFKL-UHFFFAOYSA-N 439.802 4.338 5 20 IIBD CC(C)S(=O)(=O)Cc1ccc(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 498078820 BCVONISDVHJIPU-ZDUSSCGKSA-N 439.921 4.011 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 498838034 UQSPTHUDWSPWRR-LBPRGKRZSA-N 439.438 4.406 5 20 IIBD C[C@H](COc1ccc(F)cc1F)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 500995325 NAOJZCPEXSNJNN-SNVBAGLBSA-N 434.317 4.011 5 20 IIBD CCOc1ccc([C@H](C)NC[C@H](O)COc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] 504925288 AOKQGPZMGAYPLR-JSGCOSHPSA-N 429.300 4.391 5 20 IIBD COc1ccc([C@@H](NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)C(F)(F)F)cc1 505403538 QEMJEVRBRIYNKH-GOSISDBHSA-N 444.431 4.265 5 20 IIBD O=C(Nc1ccc(F)cc1OCCC(F)(F)F)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 505813241 RNUBKZBCQJUSJU-UHFFFAOYSA-N 443.353 4.360 5 20 IIBD C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1ccc(NC(=O)c2ccncc2)cc1 505964592 PAJYHRSJYXHMPB-AWEZNQCLSA-N 429.436 4.214 5 20 IIBD COc1cc(C(=O)NCCc2csc(O)n2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 508121576 VZNKOFUWWPLUQM-UHFFFAOYSA-N 449.872 4.184 5 20 IIBD CC(C)N(Cc1ncc(-c2ccc3c(c2)OCO3)[nH]1)C(=O)c1ccc([N+](=O)[O-])cc1Cl 510942166 ANNZJVMHIUVBBD-UHFFFAOYSA-N 442.859 4.418 5 20 IIBD COc1cc(CN2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c([N+](=O)[O-])cc1OC(F)F 511781342 MSDSVUVBIARYEI-KURKYZTESA-N 434.439 4.209 5 20 IIBD COc1ccccc1O[C@H]1CCCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 513410972 IJIPPMDZGPGJOD-HOCLYGCPSA-N 433.892 4.127 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)N(Cc2cccs2)c2ccc(F)cc2)cc1[N+](=O)[O-] 513465080 JFBSACKXGGWYRY-UHFFFAOYSA-N 434.470 4.046 5 20 IIBD O=C(NC[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1)c1ccco1 514221577 IEVLGSTVJDRNLG-KRWDZBQOSA-N 449.463 4.262 5 20 IIBD COc1cc(OCC(=O)N(C)[C@@H](C)Cc2ccccc2C(F)(F)F)ccc1[N+](=O)[O-] 515533780 GANHYDROZATKKL-ZDUSSCGKSA-N 426.391 4.091 5 20 IIBD CC(=O)NCC1CCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 516233045 MOGQLDZLCVJSOE-UHFFFAOYSA-N 427.526 4.043 5 20 IIBD O=C1[C@@H](Sc2nnc(COc3ccc(Cl)cc3)o2)CCN1c1cccc([N+](=O)[O-])c1 517557801 QCAIHOGZPUYIKM-INIZCTEOSA-N 446.872 4.108 5 20 IIBD CCn1c([C@H]2CCCN2C(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)nc2ccccc21 518457070 KBOWFLXXGZCVCL-HXUWFJFHSA-N 431.452 4.196 5 20 IIBD Cn1c(CCNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)nc2cc(F)ccc21 520304995 LPRIOQAVRIWAFS-UHFFFAOYSA-N 433.443 4.337 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H](C)C[C@@H]2CCCO2)cc1[N+](=O)[O-] 522545772 HQJXJOHXGJBCPE-HOCLYGCPSA-N 428.510 4.235 5 20 IIBD CC(C)COc1ccc(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cn1 523975873 YBEYWWVQDZEHHR-GFCCVEGCSA-N 426.395 4.483 5 20 IIBD CN([C@@H](c1ccncc1)c1ccc(Cl)cc1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 531380189 HEMNYEFQXLTKHK-HXUWFJFHSA-N 431.901 4.194 5 20 IIBD CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 532914051 RIZVMIIPUNNXFT-UHFFFAOYSA-N 436.255 4.022 5 20 IIBD COc1cc(CN(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(SC)cc1OC 532970434 LGBLHMWJDXTTNW-UHFFFAOYSA-N 439.921 4.058 5 20 IIBD COc1cc(C(=O)Nc2cncc3ccccc23)c([N+](=O)[O-])cc1OCc1cscn1 534022750 GVSNTYZNAACYBO-UHFFFAOYSA-N 436.449 4.439 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H](CO)c1ccc(C(F)(F)F)cc1 535025024 DWMZVQYADHQDTE-LJQANCHMSA-N 440.421 4.023 5 20 IIBD COCCO[C@H]1CCCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 536373108 AGAVASGWZJIVKY-GHTZIAJQSA-N 447.919 4.055 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2nnc(SCc3ccccc3)s2)c1 538401559 KQROAZLJHAVVDP-UHFFFAOYSA-N 430.511 4.455 5 20 IIBD O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 539154335 XNUWUKZPWCQJCC-WIYYLYMNSA-N 447.894 4.250 5 20 IIBD C[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(NC(=O)c2ccncc2)cc1 540387651 GVDBUWZKLKEXTH-HNNXBMFYSA-N 444.451 4.143 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-c2nnnn2C(C)C)c(F)c1 542105930 XTEYSYBLCQBDSN-UHFFFAOYSA-N 441.467 4.411 5 20 IIBD C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 542190690 QBOJLJBZSUWZLK-JWNZJDHWSA-N 426.947 4.297 5 20 IIBD CCN(C[C@@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1)CC(F)(F)F 543280332 MLMOURQRXVRCQI-LBPRGKRZSA-N 439.887 4.073 5 20 IIBD CCCOc1cccc(-c2noc(-c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)n2)c1 544500677 OVYUWQTWRBCMGY-UHFFFAOYSA-N 438.469 4.380 5 20 IIBD O=C(Cc1noc(-c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n1)NCc1ccccc1 545174229 USKYHLKIYQWVSI-UHFFFAOYSA-N 443.463 4.116 5 20 IIBD Cc1cc(Cc2noc(CCSc3ccc4c(c3)OCCCO4)n2)ccc1[N+](=O)[O-] 545850331 OPVVYMRMVYKSIL-UHFFFAOYSA-N 427.482 4.373 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)n1 546394809 NTJHVXOFCGTPHL-UHFFFAOYSA-N 430.376 4.009 5 20 IIBD COc1cc(Cc2noc(-c3cnn(Cc4ccccc4Cl)c3)n2)ccc1[N+](=O)[O-] 547191478 DTTCMPMTMKWYON-UHFFFAOYSA-N 425.832 4.142 5 20 IIBD CCOC(=O)c1cc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c(F)cc1C 551345648 BQNAHRTUDMNLDW-UHFFFAOYSA-N 429.448 4.074 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCOC1 555453132 GMDTXTQOOYNEAH-CQSZACIVSA-N 445.882 4.319 5 20 IIBD COC(=O)c1ccc(-c2csc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)n2)cc1 558458510 ORRXLWNQMFFFIA-UHFFFAOYSA-N 425.466 4.421 5 20 IIBD CC(C)c1nc(C2CCN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)no1 560698730 RSTGQFUTWDIKCC-UHFFFAOYSA-N 427.486 4.245 5 20 IIBD COc1ccc(COc2ccc(-c3noc(-c4cccc(OC)c4[N+](=O)[O-])n3)cn2)cc1 569408402 LHOCGNYGHFYCDY-UHFFFAOYSA-N 434.408 4.303 5 20 IIBD COCCOc1c(Cl)cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Cl 570122049 ULCXLVCNZKRHRC-UHFFFAOYSA-N 435.285 4.036 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 573303942 QSUHFLPDYJZNHY-QGZVFWFLSA-N 440.374 4.106 5 20 IIBD COCCC[C@@H](CNC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1ccc(Cl)cc1 575031061 LWMOMCQDDWXLGW-HNNXBMFYSA-N 443.887 4.442 5 20 IIBD O=C(Nc1nc(CC(F)(F)F)cs1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 575211104 CDXPGQHVTTYEHR-UHFFFAOYSA-N 429.298 4.350 5 20 IIBD CCC[C@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 579067604 MVKZGFKFUFOJMK-VGSWGCGISA-N 438.528 4.222 5 20 IIBD COc1cc(-c2noc(-c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)n2)cc(Cl)c1OC 583844882 KDZAVAFETVHVFP-UHFFFAOYSA-N 441.831 4.383 5 20 IIBD COc1cc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)c([N+](=O)[O-])cc1OC(F)F 585704786 MJKCPLHIXWAGNW-IBGZPJMESA-N 429.379 4.119 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(Cc1ccc(F)cc1Cl)CC1CC1 586866646 VUMBOGILFCWLDR-QGZVFWFLSA-N 437.903 4.059 5 20 IIBD CN1CCC(N2CC[C@@H](N(C)Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2)CC1 589195633 NOOHKJKZDWJSKZ-GOSISDBHSA-N 432.952 4.109 5 20 IIBD O=C(N[C@H]1CC[C@](O)(C(F)(F)F)C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 590426556 ISNXPUAHLYVWOP-KPZWWZAWSA-N 426.416 4.322 5 20 IIBD CCOc1ccccc1NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 603645786 ADLCXVBQHCUWDZ-UHFFFAOYSA-N 438.406 4.366 5 20 IIBD COc1ccccc1-c1cc(NC(=O)c2cc([N+](=O)[O-])cn2C)n(-c2ccc(C)cc2)n1 603760839 UXSWRIFXBCSHPO-UHFFFAOYSA-N 431.452 4.355 5 20 IIBD COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)NCc2ccccc2[N+](=O)[O-])cc1 603919032 MQVWESRNHWMSLF-UHFFFAOYSA-N 442.475 4.315 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)c1C 603983026 DIALYONDIUXYLZ-HNNXBMFYSA-N 431.514 4.027 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N(C)Cc2csc3ccccc23)ccc1[N+](=O)[O-] 608811531 DOSNMPGHGUYLMI-HXUWFJFHSA-N 437.521 4.381 5 20 IIBD Cc1nc(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)nc2ccccc12 608820859 IQMPTRFYPRWBRX-UHFFFAOYSA-N 427.464 4.389 5 20 IIBD CCN(C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)[C@@H](C)c1cccc(C(F)(F)F)c1 608878893 MQROOXCYNZVOMJ-KGLIPLIRSA-N 437.418 4.342 5 20 IIBD C[C@H](Nc1cc(F)ccc1OC[C@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 609354128 NMMVRXTVMWPXCN-SWLSCSKDSA-N 437.855 4.384 5 20 IIBD C[C@@H](Cn1cccn1)NC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 609810725 PNOVPFIIMCHTDP-ZDUSSCGKSA-N 447.854 4.264 5 20 IIBD COc1ccccc1CN(C)C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 609853293 KRGMKYIZDTYQPG-UHFFFAOYSA-N 435.267 4.368 5 20 IIBD CN(Cc1ccc(Br)s1)C(=O)c1ccc([N+](=O)[O-])cc1Br 610036890 SSNTWKDKKOPPCW-UHFFFAOYSA-N 434.109 4.454 5 20 IIBD Cc1ccc(-c2ccncc2)cc1NC(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 610103718 ZNIGKWUXSXEAJA-UHFFFAOYSA-N 432.480 4.043 5 20 IIBD C[C@H](C(=O)N1CCc2c(F)cc(Br)cc2C1)c1ccc([N+](=O)[O-])cc1F 612478792 HZBLJWTVRVGPRI-JTQLQIEISA-N 425.229 4.324 5 20 IIBD CS(=O)(=O)c1ccc(Oc2ccc(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 726594764 PXIHLHUFDRIZNJ-UHFFFAOYSA-N 429.410 4.442 5 20 IIBD O=C(COC(=O)c1sccc1OC(F)F)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 729774718 FSPVYSYKVNVUJD-UHFFFAOYSA-N 440.302 4.072 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2n[nH]c3c2CCCC3)c2ccccc2)c([N+](=O)[O-])c1 731705390 CFDDHXGWXCFLJG-OAQYLSRUSA-N 434.452 4.042 5 20 IIBD O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)c1csc(-c2cccc([N+](=O)[O-])c2)n1 732299224 XGTUUJNOXRATLC-MRXNPFEDSA-N 438.292 4.489 5 20 IIBD CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1cc([N+](=O)[O-])ccc1Cl 733107113 FVFYSKHTKADMJX-UHFFFAOYSA-N 440.725 4.215 5 20 IIBD C[C@@H](CC(=O)O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(C(F)(F)F)cc1 733524370 SPSDBZRBLOORGD-SCLBCKFNSA-N 436.386 4.456 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]2c2ccc(Cl)cc2)cc1Br 742323300 LBIGIRAGVMAZHH-CQSZACIVSA-N 431.695 4.146 5 20 IIBD Cc1sc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c(C(N)=O)c1-c1ccccc1 743622753 ZJTDPWSGWKMZKB-UHFFFAOYSA-N 434.477 4.324 5 20 IIBD CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 743781157 CBXXBMYNGJNZFL-OAQYLSRUSA-N 436.556 4.179 5 20 IIBD Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 744554935 ZBZLBPQNOYXQQX-KRWDZBQOSA-N 425.485 4.386 5 20 IIBD C[C@@H](OC(=O)[C@@H]1SCCc2sccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 745637223 PLUBOGSWBIHCFR-RFAUZJTJSA-N 426.903 4.211 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 746253981 KYLOTZVIVMOPRM-UGKGYDQZSA-N 427.476 4.062 5 20 IIBD CCCCCCNC(=O)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 746826335 MULMZMQECGEFNQ-CQSZACIVSA-N 429.439 4.162 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)c1ccc(F)c(F)c1F)c1cccc([N+](=O)[O-])c1 750609610 BSTHDAILRXIXTH-CQSZACIVSA-N 436.386 4.254 5 20 IIBD COc1ccc([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2Br)c(OC)c1 751062151 KLNAPKRFULPMPY-KRWDZBQOSA-N 435.274 4.352 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCCCC[C@H]1C[C@@H](O)c1ccccc1 752115655 YMYNIKUNKLKOST-XZOQPEGZSA-N 434.496 4.289 5 20 IIBD O=C(OCc1cc2c(Cl)cccc2[nH]1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 754722074 VTVHYEHKIHQVCF-OAHLLOKOSA-N 433.873 4.139 5 20 IIBD C[C@H](C(=O)OCC(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1ccc([N+](=O)[O-])cc1F 755051977 BIEBPLOQRBFHDS-NSHDSACASA-N 447.419 4.282 5 20 IIBD CCOC(=O)N1[C@H](C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC[C@H]1c1ccc(C)o1 756988918 LSCFBWGXNBJOCK-IRXDYDNUSA-N 435.864 4.128 5 20 IIBD CC(C)(C)OC(=O)N1CCC(Cc2noc(CSc3ccc([N+](=O)[O-])cc3)n2)CC1 761755926 KTUNEEGMIBAUFP-UHFFFAOYSA-N 434.518 4.460 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(OCc2cscn2)c1 761895430 XHKYWAAFRKWEQT-UHFFFAOYSA-N 439.902 4.393 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2ccc(C)c(C)c2)C[C@@H]1C 764279069 JMNIUAWXOWWAQA-SFHVURJKSA-N 443.569 4.301 5 20 IIBD C[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@H](O)c1c(F)cccc1Cl 765203661 XHBKDFIXAIVVPQ-YPMLDQLKSA-N 431.247 4.048 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCO[C@@H](c2ccc(Br)cc2)C1 765483200 KJIZHQMPRDPXPY-MRXNPFEDSA-N 425.666 4.224 5 20 IIBD O=C(NCc1nc2c(s1)C[C@H](c1ccccc1)CC2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 767136330 UCPSXYFDEMOWJY-CQSZACIVSA-N 438.465 4.162 5 20 IIBD O=[N+]([O-])c1ccc(CCc2nc(-c3ccc(Br)cc3F)no2)c([N+](=O)[O-])c1 771198858 XYAGZZYZDAWEFL-UHFFFAOYSA-N 437.181 4.240 5 20 IIBD Cc1cc(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])n([C@H]2CCN(Cc3ccccc3)C2)n1 772269919 QWVLLBYMJAWLEH-IBGZPJMESA-N 437.475 4.247 5 20 IIBD CCc1noc(CCCC(=O)O[C@@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])n1 774371075 ZANSXRASJFFCQU-KRWDZBQOSA-N 440.294 4.057 5 20 IIBD CC(=O)N[C@@H](CC(=O)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1ccc(C)cc1 776138125 FACCHVOYOBUJFP-URXFXBBRSA-N 433.464 4.198 5 20 IIBD C[C@@H](CC(=O)O[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)C(=O)c1ccc(Cl)cc1 777215061 HIFOQPSPOPZECP-NWDGAFQWSA-N 436.823 4.167 5 20 IIBD COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] 778210417 KYXAHBZVGXSSRZ-UHFFFAOYSA-N 430.766 4.082 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)Cc2ncc(Cl)n2C)c([N+](=O)[O-])c1 778988984 OXXLEJVTQRRKLY-HXUWFJFHSA-N 427.892 4.102 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 779159737 AOMJZQSHQWDGGE-HOCLYGCPSA-N 432.546 4.453 5 20 IIBD COCc1nc(COC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cs1 782008640 QGBCLJBDFUUAGF-UHFFFAOYSA-N 446.868 4.439 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccc(CCNC(=O)OC(C)(C)C)cc1 782837197 HANNNJKMLBFIPV-UHFFFAOYSA-N 428.489 4.292 5 20 IIBD O=Cc1ccc(OCC(=O)Nc2ccc(F)cc2Nc2ccccc2F)c([N+](=O)[O-])c1 783630673 XQAOHLVJDCLZIS-UHFFFAOYSA-N 427.363 4.447 5 20 IIBD COc1ccc(-c2noc([C@@H](C)OC(=O)c3ccc(Br)cc3[N+](=O)[O-])n2)cc1 784045516 PHXQDTAUXXKYID-SNVBAGLBSA-N 448.229 4.334 5 20 IIBD CCCn1c(C(=O)N(C)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc2ccccc21 786928884 GXGAFXQOXJRLES-UHFFFAOYSA-N 435.889 4.074 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1nnc(-c2cc3ccccc3o2)s1 787472381 NGBLAIDZHUNIKE-UHFFFAOYSA-N 439.409 4.339 5 20 IIBD Cn1c(COc2ccccc2Cl)nnc1SCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 789738465 OMOKPTAEDYVWGP-UHFFFAOYSA-N 435.849 4.156 5 20 IIBD C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 790608381 GKQSFLINSCXACN-RBBRMKCBSA-N 434.496 4.013 5 20 IIBD CSc1ccccc1NC(=O)[C@@H](C)OC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790740993 MTQNCUCWYMHEKC-SNVBAGLBSA-N 426.853 4.222 5 20 IIBD COc1ccccc1-c1nc(C2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)no1 791051873 YTEHICDVVMGTKD-DHZHZOJOSA-N 434.452 4.073 5 20 IIBD O=C(CSCc1ccc(Br)cc1)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 791605316 RUZVRYVCZNSYQW-UHFFFAOYSA-N 441.259 4.242 5 20 IIBD Cc1nc(SC(F)F)sc1CC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 793558761 AWIPTRXKFAEVQN-CQSZACIVSA-N 431.511 4.491 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3cnc(Cl)c4ccccc34)CC2)ccc1[N+](=O)[O-] 794049327 UUKWSIQVHVFJLP-UHFFFAOYSA-N 440.887 4.158 5 20 IIBD Cc1ccccc1-c1noc(C)c1C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 796215833 MUCQOLPZVOZBME-UHFFFAOYSA-N 429.816 4.316 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1sc(N2CCOCC2)nc1-c1ccccc1 799330005 VYDUPPDBVVGIRU-UHFFFAOYSA-N 444.900 4.461 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 801950109 VSKXSKUFAKUVFS-UHFFFAOYSA-N 441.290 4.017 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)O[C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)c1F 803461246 WYPDEYUPGQNMNN-ZDUSSCGKSA-N 435.477 4.410 5 20 IIBD Cc1ccc(-n2c(Sc3ncnc4sc([N+](=O)[O-])cc34)nc3ccccc3c2=O)nc1 804338153 VNZKPMFUUQCKJF-UHFFFAOYSA-N 448.489 4.153 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 804363030 CANICHCBBBOJRG-LJQANCHMSA-N 434.374 4.111 5 20 IIBD CC(C)Oc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)N(C)C)cc1 808086330 AVBKXMJXZOGIDH-NRFANRHFSA-N 428.489 4.053 5 20 IIBD O=[N+]([O-])c1ccc(N2CCOCC2)c(-c2nc(Cc3ccc(Cl)cc3Cl)no2)c1 809237474 CCCCGWHFVJXXKZ-UHFFFAOYSA-N 435.267 4.379 5 20 IIBD O=C(NC[C@@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1)Nc1cccc(F)c1 809915403 XHNVGWWKNFWGJX-ZDUSSCGKSA-N 449.870 4.453 5 20 IIBD O=C1CN(c2ccc(NCc3cc(Cl)cc(Cl)c3[N+](=O)[O-])cc2Cl)CCN1 811468846 KJOLQPBMTSDYRR-UHFFFAOYSA-N 429.691 4.103 5 20 IIBD COc1cc(OC)cc(-c2cccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)c1 812761489 KZOICIBJEDYAHH-UHFFFAOYSA-N 438.396 4.143 5 20 IIBD O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCC(Oc2cncc(Cl)n2)CC1 813196687 HDUOIZFUWXRAEO-UHFFFAOYSA-N 431.663 4.029 5 20 IIBD Cc1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C(=O)NCC(F)(F)F)cc1F 813288671 KEMMIQBNGVCJKE-UHFFFAOYSA-N 433.745 4.240 5 20 IIBD COc1ccccc1[C@H](CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCCC1 813368327 FEVKRHGZLYCFAM-KRWDZBQOSA-N 438.311 4.477 5 20 IIBD Cc1ccc(NC(=O)NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c(C)c1 815405715 GSXVDFMTMDMHCM-ZDUSSCGKSA-N 433.848 4.067 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC[C@@H]21 816999207 VLVOQYQKBWVHGR-WFASDCNBSA-N 443.422 4.085 5 20 IIBD O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 914610902 MPEYHYNCXJGMNT-UHFFFAOYSA-N 443.809 4.105 5 20 IIBD O=C(Cc1csc(-c2ccc(Cl)cc2)n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 916555113 JVRIQVVCNZEANE-UHFFFAOYSA-N 442.928 4.263 5 20 IIBD Cc1cc(=O)c(C(=O)Oc2ccc(Oc3ccccc3)cc2)nn1-c1ccccc1[N+](=O)[O-] 917510378 OXDIKAYRKRTMSX-UHFFFAOYSA-N 443.415 4.461 5 20 IIBD CCC(CC)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1cccs1 917870016 GUWJWBYGHODLFG-XOBRGWDASA-N 433.505 4.442 5 20 IIBD Cc1ccc(-c2nc(C)c(C(=O)OCCNC(=O)c3ccc([N+](=O)[O-])cc3Cl)s2)o1 920148778 XBKAXGDFBNXVQI-UHFFFAOYSA-N 449.872 4.168 5 20 IIBD C[C@H](C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(F)cc1F 1116163218 FYORZAVFTUKDRR-VIFPVBQESA-N 432.301 4.177 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)CCOc1cc(Cl)ccc1Cl 1317939106 NTBSAVJJEYKMSV-UHFFFAOYSA-N 427.240 4.161 5 20 IIBD Cn1cc(N2CC[C@@H](NCc3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)C2)cn1 1318921977 ZVIKBHSCKDGGJP-QGZVFWFLSA-N 427.892 4.143 5 20 IIBD CC(C)(C)OC(=O)N1CCC(c2nnc(Cn3ccc4cc([N+](=O)[O-])ccc43)o2)CC1 1322372412 TZNABQBGIOROKM-UHFFFAOYSA-N 427.461 4.095 5 20 IIBD O=[N+]([O-])c1cc(-c2nnc(-c3ccc(F)cc3Br)o2)ccc1-n1ccnc1 1322963163 MOAXBWWMHYXCGU-UHFFFAOYSA-N 430.193 4.399 5 20 IIBD Cc1c(-c2nnc(-c3ccc(COc4ccccc4)o3)o2)nnn1-c1cccc([N+](=O)[O-])c1 1346055484 PAUUPNCXRKUKLI-UHFFFAOYSA-N 444.407 4.373 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(C2(NC(=O)c3cccnc3)CCC2)cc1 1792315620 HFCIGCHOJJDWKV-MDWZMJQESA-N 442.475 4.451 5 20 IIBD CCCc1ccc(C(=O)N2CCC3(CCCN(C(=O)c4ccc([N+](=O)[O-])o4)C3)CC2)cc1 1804651470 TUWFMRINCDHLKZ-UHFFFAOYSA-N 439.512 4.299 5 20 IIBD CCC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(F)c3[N+](=O)[O-])[nH]n2)CCC1 1818950636 BSXIACMKRJUQHG-KRWDZBQOSA-N 443.479 4.343 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)CC2CCC2)CC1 1832835645 CWLAGUHYGGCZPS-OAQYLSRUSA-N 445.535 4.466 5 20 IIBD C[C@@H](OC(=O)c1ccccc1OCc1ccc(F)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 10587729 PZRKQBBJJZQNTC-OAHLLOKOSA-N 438.411 4.497 5 20 IIBD C[C@H](OC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 11467614 WDOSKEMSGKZYEU-NSHDSACASA-N 447.419 4.109 5 20 IIBD COc1ccc(CNC(=O)[C@H](C)Sc2nc3ccc([N+](=O)[O-])cc3s2)cc1OC 16054221 HVDFXEKYCGQFPC-NSHDSACASA-N 433.511 4.019 5 20 IIBD CCCn1c(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)nc2ccccc21 19682607 HBTADSVRXDFWRO-UHFFFAOYSA-N 432.484 4.468 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1N)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 22644524 GMKZFPPCSHVOEH-QMMMGPOBSA-N 431.754 4.033 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCSc1nncn1-c1ccc(C)c(Cl)c1 26372752 KJRAEYZRNRGBQB-UHFFFAOYSA-N 447.904 4.267 5 20 IIBD CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1nc2sccn2c1[N+](=O)[O-] 30598021 SEOHLQZPNSTNHG-UHFFFAOYSA-N 433.799 4.051 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3cc4c(cc3Cl)NC(=O)CO4)cc2[N+](=O)[O-])CC1 33193872 CRWLRCDMRPWZCR-UHFFFAOYSA-N 444.875 4.068 5 20 IIBD C[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1cccc(OCc2ccccn2)c1 59779349 HSZHKELJACSYNZ-KRWDZBQOSA-N 443.463 4.246 5 20 IIBD CCOc1cc(Br)c(CC(=O)Nc2ccc([N+](=O)[O-])cc2F)cc1OCC 63446888 WQVFCXLNDGHZAY-UHFFFAOYSA-N 441.253 4.475 5 20 IIBD CCCN(C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[C@H](C)c1cc2ccccc2o1 65419810 JBBOPBCVCJVCMW-OAHLLOKOSA-N 437.452 4.066 5 20 IIBD COc1ccc2c(C)cc3nnc(S[C@@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4)n3c2c1 68735275 BTUGDEYBOMVBTN-ZDUSSCGKSA-N 437.481 4.227 5 20 IIBD CCOc1cc(C(=O)N[C@@H](c2nc3ccccc3[nH]2)[C@@H](C)CC)c([N+](=O)[O-])cc1OC 71937724 YCSHNGGVXYZPOO-RNODOKPDSA-N 426.473 4.396 5 20 IIBD C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 109209690 LOTOHKLLDSFRGG-HNNXBMFYSA-N 439.541 4.361 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N(C)CCc3ccccn3)c([N+](=O)[O-])c2)c(C)c1 115091421 GEOCJPKOPMOFDG-UHFFFAOYSA-N 440.525 4.086 5 20 IIBD O=C(CSc1nnc(N2CCCC2)n1-c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 216818114 VCXJDIORWKNBTJ-UHFFFAOYSA-N 443.916 4.404 5 20 IIBD CNC(=O)c1ccc(N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c([N+](=O)[O-])c1 301205179 YOERVSBVVMNHDB-HNNXBMFYSA-N 441.875 4.042 5 20 IIBD CN(CC(=O)Nc1ccccc1Br)c1ccc([N+](=O)[O-])cc1OC(F)F 302143685 GKZPCMJLEXHREI-UHFFFAOYSA-N 430.205 4.034 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 303359658 HIYSPUFXTBNNMF-JTSKRJEESA-N 449.532 4.442 5 20 IIBD Cc1nn(CCc2nc(-c3cccc(Cn4cnc5ccccc54)c3)no2)c(C)c1[N+](=O)[O-] 303374597 MIQZFBHOOXKOFL-UHFFFAOYSA-N 443.467 4.099 5 20 IIBD CC[C@@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)c1cc(F)ccc1F 303819486 JUENOBHVJCKTAB-QGZVFWFLSA-N 425.457 4.221 5 20 IIBD COc1cc(CN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C2CC2)ccc1O 426270214 ZTGZTJIBQNRLFS-UHFFFAOYSA-N 439.390 4.202 5 20 IIBD O=C(Nc1cccc(NC(=O)C2CCCCC2)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 427418896 COJITMCRZFAOJK-UHFFFAOYSA-N 425.441 4.137 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccc(NC(=O)c2ccco2)cc1 427929130 YSVDWKKBRFVVKU-UHFFFAOYSA-N 432.392 4.006 5 20 IIBD O=C(O)CCCNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 428092884 QGSMUPPCDJXEJE-NTCAYCPXSA-N 425.466 4.116 5 20 IIBD O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1cc2ccccc2n1CC(F)(F)F 429414568 BSPNCMUOESAGCY-UHFFFAOYSA-N 430.346 4.149 5 20 IIBD Cc1cc(OCC(=O)N[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)ccc1[N+](=O)[O-] 430787052 SLTRCNNFFICBPB-INIZCTEOSA-N 434.317 4.303 5 20 IIBD CC(C)n1c([C@@H](C)NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)nc2ccccc21 432333410 GKSRVGDTOUPGAP-OAHLLOKOSA-N 433.468 4.330 5 20 IIBD CC1(C)C[C@H](NCc2ccccc2S(=O)(=O)N2CCCCC2)c2cc([N+](=O)[O-])ccc21 433141500 ADJUCFRGYUXVMC-NRFANRHFSA-N 443.569 4.282 5 20 IIBD CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] 433772252 XVFVPEINRMALML-UHFFFAOYSA-N 432.868 4.197 5 20 IIBD O=C(Nc1nc([C@H]2C[C@H]3CC[C@H]2C3)cs1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 435020112 NCLSWDRGANWVRD-ZQIUZPCESA-N 440.525 4.085 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N(CCn1ccnc1)Cc1cccc(Cl)c1 435336351 PMKSFLMTDPIZBO-UHFFFAOYSA-N 437.887 4.128 5 20 IIBD CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 436983988 YAVZTHAEYRWZKB-UHFFFAOYSA-N 442.449 4.139 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)cn2)cc1 437035059 DJDOMXDAWQZMRA-UHFFFAOYSA-N 446.463 4.220 5 20 IIBD Cc1c(NC(=O)C(=O)Nc2ccc(OCc3cccc(F)c3)c(F)c2)cccc1[N+](=O)[O-] 439322464 VUVYMISGIGHVDY-UHFFFAOYSA-N 441.390 4.338 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](Cc1ccccc1)c1cccs1 440077829 KLMYKYVGQDUYOH-SFHVURJKSA-N 439.493 4.094 5 20 IIBD CC(=O)c1ccc(OCC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)c([N+](=O)[O-])c1 440843265 GIQAGZUNADOUCP-OAQYLSRUSA-N 428.441 4.283 5 20 IIBD CCc1[nH]nc(C(=O)N(Cc2ccc(OC)c(OC)c2)[C@H]2CCCC[C@@H]2C)c1[N+](=O)[O-] 444341864 LSSIIHUOBBSLQX-YOEHRIQHSA-N 430.505 4.119 5 20 IIBD CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 444531359 AFXKUPQEXIDUSP-UHFFFAOYSA-N 438.484 4.342 5 20 IIBD COc1ccc(-c2csc(CNC(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)c2)cc1 445106083 HJNLREDKNXAZQQ-UHFFFAOYSA-N 437.481 4.208 5 20 IIBD C[C@@H](c1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1)N1CCOCC1 445170097 BHZKJUAFEBDZOA-NSHDSACASA-N 440.319 4.064 5 20 IIBD O=C(Cc1noc(-c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)n1)NCc1cccc(F)c1 445748411 LLQXPWZSWXZXHD-UHFFFAOYSA-N 447.426 4.386 5 20 IIBD O=C(CN1C(=O)CCc2ccccc21)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] 446432010 SGVLHROSKBGHKI-UHFFFAOYSA-N 431.448 4.092 5 20 IIBD O=C(NCCCNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])c1cccc(F)c1 447685202 ITXMOFVBDIUABY-UHFFFAOYSA-N 436.312 4.015 5 20 IIBD O=C(c1nn(-c2ccccc2F)c2c1CCC2)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 460353812 QRBXUJJXSNACTQ-QFIPXVFZSA-N 438.484 4.296 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 461430849 QEXZSEVAWCBVHX-SJORKVTESA-N 433.430 4.208 5 20 IIBD CN1[C@H]2CC[C@H]1CN(C(=O)c1ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c1)CC2 465233392 SUZLHIIDCDAHIW-ROUUACIJSA-N 428.920 4.169 5 20 IIBD COc1cc(CCNC(=O)N2CCCC[C@H]2c2ccc(C)cc2)c([N+](=O)[O-])cc1OC 465597181 KZXXNKVNYOJFAM-IBGZPJMESA-N 427.501 4.400 5 20 IIBD Cc1cc(Br)cc(Cl)c1NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 466991294 GNUIUMUDVXBQSX-UHFFFAOYSA-N 441.665 4.272 5 20 IIBD Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] 467994660 PIOPMHNAABUXLT-GOSISDBHSA-N 447.491 4.341 5 20 IIBD C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC2(CCOCC2)O1 468493745 XVIBULBUGZBCCO-INIZCTEOSA-N 428.510 4.156 5 20 IIBD COc1ccc(-c2ccc(CN3CCN([C@H](C)c4nccs4)CC3)o2)c([N+](=O)[O-])c1 468548312 NXHLWELTPJNRBO-OAHLLOKOSA-N 428.514 4.199 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H](C)c1ccc(Cl)c(Cl)c1 469357981 KUGXPKXILOAWHK-SNVBAGLBSA-N 447.296 4.070 5 20 IIBD O=C(NCCC(=O)N1CCCC[C@H]1c1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 470207676 WNBGJPHBBDSYSB-IBGZPJMESA-N 449.429 4.487 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(Cl)cc2Br)cc1[N+](=O)[O-] 478959691 UEYJWNCNUGMVBD-JTQLQIEISA-N 440.681 4.135 5 20 IIBD C[C@@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)C1(c2ccccc2)CCCC1 479773955 LDUZJKWTDOOINV-QGZVFWFLSA-N 437.496 4.300 5 20 IIBD C[C@H](Sc1nnc(-c2ccco2)n1Cc1ccco1)C(=O)Nc1cccc([N+](=O)[O-])c1 480015771 WBGZEPCNBURTPQ-ZDUSSCGKSA-N 439.453 4.207 5 20 IIBD CC(C)n1nccc1[C@H]1OCC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 480254579 AITQECAUFHZZON-BBRMVZONSA-N 427.383 4.043 5 20 IIBD Cc1c([C@H](C)NCc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)cccc1[N+](=O)[O-] 481299028 KJGHGPFMVWRBPV-AEFFLSMTSA-N 431.558 4.175 5 20 IIBD Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NCc1cccc([N+](=O)[O-])c1C 481483517 ZCVWTGQYMIMDEC-UHFFFAOYSA-N 443.301 4.398 5 20 IIBD COCC(C)(C)N(Cc1ccccc1)C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] 484458923 NVDCZYCDPVZMKZ-UHFFFAOYSA-N 438.427 4.272 5 20 IIBD Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2sc(Br)cc2[N+](=O)[O-])C1 485492747 PFZBDMABLAGHGO-GFCCVEGCSA-N 442.310 4.265 5 20 IIBD CSc1cccc(C(=O)NC(C)(C)COc2ncccc2C(F)(F)F)c1[N+](=O)[O-] 486425301 AHXASZZCAIOMTD-UHFFFAOYSA-N 429.420 4.318 5 20 IIBD CCN(C(=O)c1cc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])ccc1Cl)C(C)C 487706541 OYIRAHIWGPLXSM-UHFFFAOYSA-N 432.908 4.194 5 20 IIBD CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 487766415 BOYJYZXJPRWZBE-UHFFFAOYSA-N 430.411 4.291 5 20 IIBD O=C1NCCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)[C@@H]1c1cccs1 487967077 CEDCWWJWDRTRKL-LJQANCHMSA-N 439.518 4.121 5 20 IIBD COc1c(F)cc(S(=O)(=O)N(Cc2cccs2)c2ccc(F)cc2)cc1[N+](=O)[O-] 488271999 LPGWQZJNJYBAAZ-UHFFFAOYSA-N 440.449 4.339 5 20 IIBD O=[N+]([O-])c1ccn(C2CCN(Cc3ncc(-c4cccc(Br)c4)o3)CC2)n1 488736330 QPRIGILDOVREPX-UHFFFAOYSA-N 432.278 4.046 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2cc3c(cc2s1)OCCCO3 489480186 HDCGNWRLCXDNCQ-LLVKDONJSA-N 431.495 4.485 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](c1ccccc1OC(F)F)C(F)(F)F 492379971 ZWXQLTCWTQTILB-INIZCTEOSA-N 433.333 4.336 5 20 IIBD COc1c(Cl)cc(NC(=O)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl 493901194 ROYCGDQOOULWBE-SNVBAGLBSA-N 426.256 4.035 5 20 IIBD C/C(=C\c1ccccc1)CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 494432051 AMEHQCBOYRACPI-JLHYYAGUSA-N 425.304 4.081 5 20 IIBD CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)sc(C(C)=O)c1C 497795196 JWMKUGAMBKUNOH-UHFFFAOYSA-N 442.396 4.198 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccccc2O[C@@H](C)C(F)(F)F)cc1[N+](=O)[O-] 498966170 HVONOTDZDGWLKJ-STQMWFEESA-N 439.390 4.049 5 20 IIBD COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)CCn3nc(C)c([N+](=O)[O-])c3C)s2)cc1 505130266 TUCHBRRFHMWJEO-CYBMUJFWSA-N 443.529 4.116 5 20 IIBD COCc1ccc(CNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])cc1 506057084 TUGBEMIFQCOVQE-UHFFFAOYSA-N 427.482 4.154 5 20 IIBD Cc1ccc(S(=O)(=O)N(Cc2cc(Br)ccc2F)C2CC2)c([N+](=O)[O-])c1 508023269 MIDMQQBROKUHKB-UHFFFAOYSA-N 443.294 4.158 5 20 IIBD COc1ccc([C@H](NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c2ccc(F)cc2)cc1 512014083 IKCQZEXRXGRNJX-HXUWFJFHSA-N 430.457 4.119 5 20 IIBD C[C@@H]1CN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2cccc([N+](=O)[O-])c2)CCC3)C[C@@H]1O 512083992 NINJMMKEGWHQJZ-MQAJCVKKSA-N 443.503 4.473 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@]4(CCN(Cc5ccccc5)C4)C3)o2)c1 512259450 KMTUFMUZZHAYGO-VWLOTQADSA-N 432.524 4.390 5 20 IIBD CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)s1 513081202 FNRKQOHBKTXNDC-QWHCGFSZSA-N 429.502 4.022 5 20 IIBD C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 516015731 IEIQCVYRIXGRNC-NSHDSACASA-N 433.367 4.101 5 20 IIBD COc1cc(OCc2nc(-c3ccc(OCc4cccnc4)cc3)no2)ccc1[N+](=O)[O-] 517628702 SJCHOFBFHWBXKM-UHFFFAOYSA-N 434.408 4.206 5 20 IIBD CC(C)Oc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)cc1 517797394 JSEYHPVISURRBU-MRXNPFEDSA-N 433.530 4.340 5 20 IIBD Cc1ccc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1NC(=O)c1ccncc1 520966926 OQBBHFADZIZUAJ-UHFFFAOYSA-N 429.436 4.144 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1N1CCOCC1 521275443 FZFTVQIGQUIZPT-GFCCVEGCSA-N 440.283 4.144 5 20 IIBD O=[N+]([O-])c1cccc(-c2ccc(CNC[C@H](O)COc3ccc(C(F)(F)F)cc3)o2)c1 521831386 NWXUISJOEOVNEE-KRWDZBQOSA-N 436.386 4.403 5 20 IIBD CN(C)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1Cl 524255537 AVPGWVJMUVNFDA-UHFFFAOYSA-N 442.697 4.203 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(Br)cc2OC(C)C)cc([N+](=O)[O-])c1 524568329 SOWXASQQQXNZRO-UHFFFAOYSA-N 437.246 4.183 5 20 IIBD CC[C@H](C)[C@H](NC(=O)c1cc(C)ccc1[N+](=O)[O-])C(=O)Nc1cccc(N2CCCC2)c1 525650599 DSVSOSCOIFHFNH-JTSKRJEESA-N 438.528 4.287 5 20 IIBD Cc1cccc(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c1Br 535232920 HJNBMKYSZWIAQN-INIZCTEOSA-N 449.301 4.479 5 20 IIBD CC(C)(C)c1ccccc1NC(=O)C[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 536304931 HBTQIZWJQBOJHK-WJOKGBTCSA-N 441.509 4.435 5 20 IIBD CN(C(=O)CCc1nc(-c2ccsc2)no1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 537154082 QXLDFFDBYWRYBK-UHFFFAOYSA-N 441.494 4.425 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC(C)(C)c3ccccc32)cc1OC 537701636 NDNORYZTRAKVAG-MRXNPFEDSA-N 442.512 4.214 5 20 IIBD CCCOc1cc(NC(=O)N2CC[C@H](CN3CCCC3)C2)c([N+](=O)[O-])cc1OCCC 538199167 NSLGEHQDQHNLPV-QGZVFWFLSA-N 434.537 4.122 5 20 IIBD O=C(CN[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)N1CCc2cc([N+](=O)[O-])ccc21 539421138 BQKRRWBZGSWZPG-QGZVFWFLSA-N 447.335 4.396 5 20 IIBD Cc1cc(C(=O)NCC(=O)N2CC[C@H](C)[C@H]2c2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] 542088288 NLFCZNNQBBWYOA-RBZFPXEDSA-N 449.429 4.262 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CCCC[C@@H]2CNC(=O)Nc2ccccc2)cc1[N+](=O)[O-] 543932102 UOTBWAKQDBEZPL-YLJYHZDGSA-N 439.516 4.350 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1sc(-c2ccc(F)cc2)nc1C 544479234 NXNQJYYQRNBXQJ-GFCCVEGCSA-N 444.488 4.464 5 20 IIBD Cc1cc(-c2noc(CSc3ccc(C(N)=O)cc3[N+](=O)[O-])n2)ccc1Br 544908615 JBNRNPMVDBGZRH-UHFFFAOYSA-N 449.286 4.107 5 20 IIBD O=C1CCCN1Cc1ccc(-c2noc(CCOc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 544978796 JAOGMXAXBYCMBL-UHFFFAOYSA-N 442.859 4.042 5 20 IIBD CS[C@H]1C(=O)Nc2ccc(-c3noc(CCCNc4ccc([N+](=O)[O-])cc4)n3)cc21 545089863 MXXWNOQXIUTBQZ-GOSISDBHSA-N 425.470 4.046 5 20 IIBD CCN([C@H](c1cccnc1)c1ccc(F)c(C)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 545467780 BKNYONHOECOBQT-NRFANRHFSA-N 429.473 4.238 5 20 IIBD Cc1nc(-c2cccc(-c3noc(-c4cc([N+](=O)[O-])cc(S(C)(=O)=O)c4)n3)c2)cs1 545697448 WYHQVTRXXHANMA-UHFFFAOYSA-N 442.478 4.147 5 20 IIBD O=[N+]([O-])c1ccc(-n2cc(-c3nc(Cc4ccc(Br)c(F)c4)no3)cn2)cc1 545853379 XITVPAAHPNIUOY-UHFFFAOYSA-N 444.220 4.323 5 20 IIBD COC(=O)[C@H](C)Cc1ccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 546079512 AZGONFDSGWBPTO-CYBMUJFWSA-N 425.466 4.322 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1 546665079 JRKIODGVGSWNGT-UHFFFAOYSA-N 443.481 4.315 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CC[C@@H](c4cccc(F)c4)C3)n2C[C@@H]2CCOC2)c1 550050222 WHWVTTKMYSWIPN-QFBILLFUSA-N 437.475 4.023 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)cc1[N+](=O)[O-] 551745740 PUJXMNLUKWLUPK-OXQOHEQNSA-N 439.512 4.115 5 20 IIBD O=C(Nc1cccc2cc(Br)cnc12)c1ccn(-c2ccccc2[N+](=O)[O-])n1 553155337 DYWYLARUOMSXMH-UHFFFAOYSA-N 438.241 4.344 5 20 IIBD CCn1c(COc2cccc(C)c2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 555102012 ZIDPSHYTVKNUNC-UHFFFAOYSA-N 437.500 4.141 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1cccc2cnccc12 558737021 PXPHLKFRMTZESC-UHFFFAOYSA-N 433.205 4.308 5 20 IIBD CCN(C(=O)c1cc(NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)ccc1Cl)C(C)C 558984467 FZHXBAWDSSRBNG-UHFFFAOYSA-N 433.892 4.309 5 20 IIBD O=C1CSc2ccc(N[C@@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)cc2N1CC(F)F 560267843 VJCDABLXVRDOGT-KGLIPLIRSA-N 437.472 4.091 5 20 IIBD O=[N+]([O-])c1ccc2nc(N3CC=C(c4cccc(Br)c4)CC3)nc(O)c2c1 561266785 XQHBIJOACINBSN-UHFFFAOYSA-N 427.258 4.300 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCOC[C@@H](C3CCC3)C2)cc1 561745794 INMSYDUEHQBEKW-KRWDZBQOSA-N 426.469 4.284 5 20 IIBD COc1cc(C(=O)N[C@@H](C)c2ccc(Br)cc2F)cc([N+](=O)[O-])c1OC 563922843 LTGAAYWDHDKMDG-VIFPVBQESA-N 427.226 4.005 5 20 IIBD CN(C)Cc1ccccc1NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 565566838 PHKPKLKARNMPLH-UHFFFAOYSA-N 434.283 4.401 5 20 IIBD COc1ccc(NC(=O)N(C)[C@H](C(=O)O)c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 568950338 JFTSHIIWYVHBIX-HNNXBMFYSA-N 428.228 4.200 5 20 IIBD CC(=O)c1cccc(CNC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)c1 573553195 YANPOLNGYVOOAU-UHFFFAOYSA-N 445.475 4.024 5 20 IIBD Cc1c([N+](=O)[O-])cnc(Sc2nnc(-c3cccnc3)n2C2CC2)c1Br 574626663 JUTQWPJTTGCJCK-UHFFFAOYSA-N 433.291 4.200 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 578266884 JYBWLWMJEBOKBN-INIZCTEOSA-N 441.406 4.080 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc([C@@H]3C[C@]34CCc3cc(Br)ccc34)n2)nc1 582028852 LHFPKONHXVUSSH-LPHOPBHVSA-N 427.258 4.098 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC(c3noc4cc(F)ccc34)CC2)c1C 584165471 KOWQREAHGIZTPG-UHFFFAOYSA-N 433.461 4.060 5 20 IIBD C[C@@H](c1nnc(SCCOc2cccc([N+](=O)[O-])c2)n1-c1ccc(F)cc1)N(C)C 603722090 DHWIFGZJOMYXHK-AWEZNQCLSA-N 431.493 4.108 5 20 IIBD O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)c1cc2cc([N+](=O)[O-])ccc2o1 603781232 CUNWBEINCOSJEO-UHFFFAOYSA-N 428.754 4.250 5 20 IIBD Cc1nc(-c2ncccn2)sc1C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 603961626 PERFXONBGZJJDR-UHFFFAOYSA-N 437.403 4.021 5 20 IIBD O=C(c1cc(Cl)ccc1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)N1CCCC1 604009881 AMMXOQYFRXSTON-UHFFFAOYSA-N 427.848 4.146 5 20 IIBD COc1cc([C@@H](C)NC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)ccc1OC1CCCC1 604105739 VLIXJJLTSCQWSP-OAHLLOKOSA-N 443.500 4.494 5 20 IIBD CCOc1cc(NC(=O)C(=O)N(C)Cc2ccc(C(C)C)cc2)c([N+](=O)[O-])cc1OCC 604156822 UVBZDFCMSOOGHT-UHFFFAOYSA-N 443.500 4.113 5 20 IIBD Cc1csc(Sc2ccc(NC(=O)[C@@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)cc2)n1 604249229 HDHQNLMSPWNFQJ-CYBMUJFWSA-N 442.522 4.268 5 20 IIBD COc1ccc(CC(=O)Nc2cc(-c3cc(F)cc(Br)c3)[nH]n2)cc1[N+](=O)[O-] 609044509 PWYBANRVHXQMBS-UHFFFAOYSA-N 449.236 4.076 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CCCc2cc(Cl)cc(F)c21 609459588 ZTRUUPUBZNEMRH-UHFFFAOYSA-N 449.685 4.291 5 20 IIBD COc1cc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2C)cc([N+](=O)[O-])c1OC 610171756 SKMFFKYLGAIOTF-UHFFFAOYSA-N 441.484 4.235 5 20 IIBD CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 610175191 JAQZSRCSSSQWOY-UHFFFAOYSA-N 436.486 4.400 5 20 IIBD COc1ccc(Oc2ccc(NC(=O)c3cc(OC)c(OC)c([N+](=O)[O-])c3)cn2)cc1 610186465 RYPHERNDGCPHCQ-UHFFFAOYSA-N 425.397 4.060 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(=O)N1CC[C@H](c2ccco2)C1 610937281 JSAQBWHHEPGFEU-ZDUSSCGKSA-N 443.506 4.355 5 20 IIBD COC(=O)C(C)(C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 611332831 ITEKVEIEGCFWPO-SFHVURJKSA-N 439.512 4.258 5 20 IIBD COCCN(C(=O)c1coc(C2CCC2)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 618074440 SEROXPXMEIWUEW-UHFFFAOYSA-N 428.470 4.267 5 20 IIBD COc1ccc2c(c1)CC[C@@H](NC(=O)c1cc(OCc3ccccc3)ccc1[N+](=O)[O-])C2 618691111 BYMABYRJYHKPRA-HXUWFJFHSA-N 432.476 4.470 5 20 IIBD COC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)nn1 619605026 SDQBHARBJVHQAF-UHFFFAOYSA-N 444.856 4.228 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(OCc2ccc(F)cc2)CC1 619816808 HOSLNZVNEPSTEU-UHFFFAOYSA-N 425.464 4.198 5 20 IIBD COc1ccc(C2(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CCOCC2)cc1 681979494 OEHWJSJDVIIFKC-UHFFFAOYSA-N 428.488 4.126 5 20 IIBD CCn1c(CNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc2ccccc21 732048648 CPEYKJWRAQCKKM-UHFFFAOYSA-N 435.406 4.102 5 20 IIBD Cc1c(C(=O)OCc2nc(-c3ccc(C(C)C)cc3)no2)nnn1-c1cccc([N+](=O)[O-])c1 733514226 SGBLAZWNWFOUEA-UHFFFAOYSA-N 448.439 4.014 5 20 IIBD O=Cc1ccc(OCC(=O)OCC/C=C\c2ccc(Br)cc2)c([N+](=O)[O-])c1 735350257 LZWKHKWQAAEZCC-IWQZZHSRSA-N 434.242 4.195 5 20 IIBD COc1cc(N2CCC(OC(=O)c3sccc3OC(F)F)CC2)ccc1[N+](=O)[O-] 739379527 GNLRUEBEGPUCKO-UHFFFAOYSA-N 428.413 4.092 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1OC 742942390 IPVFSKSCGAVDHX-LLVKDONJSA-N 446.847 4.197 5 20 IIBD Nc1c(C(=O)OCc2ncc(-c3ccccc3Br)o2)cc(F)cc1[N+](=O)[O-] 744823246 BRJDNLQEUORCGQ-UHFFFAOYSA-N 436.193 4.091 5 20 IIBD Cc1ccc(N(Cc2ccco2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1C 745824706 VXHZLABTPGOPLL-UHFFFAOYSA-N 431.426 4.108 5 20 IIBD COc1ccc2cc([C@@H](C)OC(=O)CSc3ccc(C(N)=O)cc3[N+](=O)[O-])ccc2c1 745954766 AXHKBTHJDBFKOI-CYBMUJFWSA-N 440.477 4.252 5 20 IIBD CC(=O)N1CCCc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)ccc21 749230836 PRWRFUJOCYVRQK-UHFFFAOYSA-N 436.512 4.383 5 20 IIBD O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)C1(c2ccc(F)cc2)CCCC1 750429553 YWGKLHVMBRSOER-UHFFFAOYSA-N 427.476 4.401 5 20 IIBD O=C(c1csc(Br)c1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 750663330 MHHCJKVHYGATDJ-UHFFFAOYSA-N 446.120 4.380 5 20 IIBD CC(C)(C)OC(=O)N(CC1CC1)C1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 751048244 BYLPJSRACHIBMZ-UHFFFAOYSA-N 437.924 4.500 5 20 IIBD Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)C2)cc1 755371154 JXLWZLPSLIAKHB-OAHLLOKOSA-N 446.301 4.157 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N(Cc1ccccc1)C[C@@H](O)c1cccs1 755936130 YHOPMXLPEPWFAV-LJQANCHMSA-N 441.509 4.110 5 20 IIBD Cn1c(COC(=O)Cc2ccc([N+](=O)[O-])cc2Br)nc2cc(Cl)ccc21 756530916 YTZSBALGBNDQOJ-UHFFFAOYSA-N 438.665 4.183 5 20 IIBD O=C(Nc1cccnc1)c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2Br)cc1 758154194 STFFFPFCRZCBOI-UHFFFAOYSA-N 442.225 4.224 5 20 IIBD CCOc1cc(C(=O)O[C@H](C)C(=O)c2ccc(OC)c(Cl)c2)c([N+](=O)[O-])cc1OC 758370087 WAVHJPCCYIYYBP-LLVKDONJSA-N 437.832 4.092 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2c(Cl)ccc3nsnc23)c(C(F)(F)F)c1 758408942 RIASTPCDQQHORP-UHFFFAOYSA-N 438.796 4.073 5 20 IIBD COC(=O)c1c(C2CC2)csc1NC(=O)c1cccc([N+](=O)[O-])c1Br 758639149 RXMVJEAKVWVVAR-UHFFFAOYSA-N 425.260 4.335 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)C[C@@H](O)c1cccs1 759675889 RTMVLKSSIOVWNS-HXUWFJFHSA-N 425.510 4.144 5 20 IIBD Cc1ccc([C@@](O)(CC(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C(F)(F)F)o1 760481585 DKBIIGLNJDVBFA-SFHVURJKSA-N 440.330 4.035 5 20 IIBD CSc1ccc2cc(Cn3cc([N+](=O)[O-])cc(Br)c3=O)c(Cl)nc2c1 761850694 YISLVQAFWIHSNI-UHFFFAOYSA-N 440.706 4.491 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CC[C@@H](c3ccc(OC)cc3)C2)c1=S 764952799 ALJIPNXUKQBGDQ-GOSISDBHSA-N 439.541 4.465 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN(C)C[C@H]2OCCc3ccccc32)c1=S 764960749 AJTUAENHZNGGJI-HXUWFJFHSA-N 439.541 4.212 5 20 IIBD CC(=O)O[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C1 765077926 PYVUVLVMJHUKTJ-KRWDZBQOSA-N 431.876 4.028 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 765193130 GMVCIVBGFHDLQS-PXNSSMCTSA-N 448.516 4.201 5 20 IIBD O=C(OCc1nc(C2CCCCC2)cs1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 767059314 GJBLACXTXXAECK-UHFFFAOYSA-N 443.481 4.109 5 20 IIBD Cc1cc(-c2noc(CCC(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)n2)ccc1F 770325223 LTEPIYGQNIEWRM-UHFFFAOYSA-N 449.236 4.426 5 20 IIBD Cc1nc(NCC(=O)Nc2cc([N+](=O)[O-])ccc2O)c2cc(-c3ccccc3)sc2n1 770855229 AQYWDFCTKYVKFP-UHFFFAOYSA-N 435.465 4.331 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2nnc(C(C)(C)c3ccccc3)o2)cc1[N+](=O)[O-] 775138069 HYKJUOVIWGQOOV-UHFFFAOYSA-N 436.877 4.066 5 20 IIBD CSc1cccc(C(=O)OCc2nnc(-c3ccc(Br)o3)o2)c1[N+](=O)[O-] 777073910 NDVJMPPIFZODOL-UHFFFAOYSA-N 440.231 4.079 5 20 IIBD COc1cccc([C@H](OC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccncc2)c1 782453932 CAUNXZHKZRGPKQ-JOCHJYFZSA-N 437.408 4.172 5 20 IIBD COc1cc(Br)c(C(=O)COc2cc(Cl)ccc2[N+](=O)[O-])cc1OC 785453536 LBZQQHYCNSXKAH-UHFFFAOYSA-N 430.638 4.290 5 20 IIBD COC(=O)CCc1cccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 786264362 MDDOWUYTAHTZIM-UHFFFAOYSA-N 442.415 4.450 5 20 IIBD CCOc1cc(NC(=O)N[C@@H](C(C)C)[C@H](O)c2ccccc2)c([N+](=O)[O-])cc1OCC 788558168 SKMZJRBCOATHDE-LEWJYISDSA-N 431.489 4.272 5 20 IIBD CC(=O)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 792471652 AQJXMLDCIRUCCB-GFCCVEGCSA-N 449.257 4.052 5 20 IIBD O=C(Oc1cc([N+](=O)[O-])ccc1I)c1cc(C2CC2)cnc1Cl 796975173 MMAVVTFEKSRJQC-UHFFFAOYSA-N 444.612 4.344 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CCC[C@@H]1c1ccc(Br)c(F)c1 797413408 KRFFSPWCTGWPJY-OAHLLOKOSA-N 436.237 4.199 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2cc(C(F)(F)F)ccc2Br)c(F)c1 798429191 KNXMOZGBFZGGHF-UHFFFAOYSA-N 444.156 4.283 5 20 IIBD Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C(F)(F)F)CC[C@H]1C 799796783 SMQOTOZZRIEHEI-NXEZZACHSA-N 445.257 4.017 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@]2(CCN(Cc3ccc(Br)c([N+](=O)[O-])c3)C2)C1 801539995 FFACXUBHQSSFAL-LJQANCHMSA-N 440.338 4.190 5 20 IIBD CC(C)c1noc(Cc2ccc(NC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)n1 801709928 BMKYZONUJKRSEI-UHFFFAOYSA-N 439.428 4.172 5 20 IIBD COc1cccc(CCC(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)c1F 807991122 RYQWXQPVIXHCBH-UHFFFAOYSA-N 442.447 4.162 5 20 IIBD O=C(OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]1CCCN1C(=O)OCC(F)(F)F 811085634 VDVBGOBKZJVGDY-LLVKDONJSA-N 445.177 4.108 5 20 IIBD C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 813879863 YNTIPVXPFZVVGX-WMZOPIPTSA-N 446.548 4.224 5 20 IIBD O=C(COC(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1)Nc1cccc([N+](=O)[O-])c1 818117751 GRBPFIDAEZKNGN-IRXDYDNUSA-N 437.477 4.436 5 20 IIBD COc1ccc([N+](=O)[O-])cc1OC(=O)[C@@H](C)SCc1nc(O)c2c(C)c(C)sc2n1 899505046 GRCPYPBMGNJNFI-LLVKDONJSA-N 449.510 4.158 5 20 IIBD O=C(Nc1nc2ccc(Br)cc2s1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 904800022 DSEBHCDZHNAFCH-UHFFFAOYSA-N 444.270 4.405 5 20 IIBD COc1cc(COC(=O)c2cc(Cl)c(Cl)n2C)c([N+](=O)[O-])cc1OC(F)F 914907997 NNHLJIYSRIISRX-UHFFFAOYSA-N 425.171 4.207 5 20 IIBD O=C(COC(=O)/C=C\c1ccccc1OC(F)(F)F)Nc1cc(Cl)ccc1[N+](=O)[O-] 914938522 UAHXLZBHBBGZLZ-YVMONPNESA-N 444.749 4.342 5 20 IIBD C[C@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)c1cccc([N+](=O)[O-])c1 915037793 IPUAHMYUUFRGNH-GOEBONIOSA-N 448.422 4.353 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@@H](C)c1ccc(F)cc1F 918765369 QCWWAXTZXGEFSP-SGTLLEGYSA-N 438.452 4.029 5 20 IIBD CCOc1ccc([C@@H]2CCCN2C(=O)COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 919039805 UPYCSHIEBTZGDE-SFHVURJKSA-N 432.860 4.167 5 20 IIBD O=C(CCc1nc2cc(Br)ccc2s1)N1Cc2ccc([N+](=O)[O-])cc2C1 1322111260 PFBGQSPKKGUZID-UHFFFAOYSA-N 432.299 4.442 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCO[C@@H](c2ccc(Cl)s2)C1 1331289238 QQLOAVXBSSWLQA-GFCCVEGCSA-N 431.695 4.286 5 20 IIBD CCCCC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(OC)c1)C2 1801717373 WBPPVNOHOXFLMT-KANFNMMFSA-N 431.533 4.072 5 20 IIBD O=C(Cc1cc([N+](=O)[O-])ccc1F)N1CCC2(CCCN(C(=O)CC3CCCC3)C2)CC1 1808929163 GTOYZHFALKBPRL-UHFFFAOYSA-N 445.535 4.088 5 20 IIBD C[C@@H]1CCC[C@@H]1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)[nH]n1 1818959596 XYRORBUSOJBTHG-FRIZHTMISA-N 443.479 4.199 5 20 IIBD O=C(C1CCCC1)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1824274842 NVXVKYXPWONZAQ-MFUYTVRRSA-N 429.517 4.011 5 20 IIBD Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC2)o1 1824684584 DHZAAQFGYOEEOZ-FQEVSTJZSA-N 443.475 4.182 5 20 IIBD Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)cc1 1830058657 QTISFMXNRARLHR-XMMPIXPASA-N 449.551 4.379 5 20 IIBD C[C@H](C(=O)N1CCCC12CN(C(=O)c1ccc([N+](=O)[O-])cc1F)C2)c1ccc(Cl)cc1 1841198944 IKKCNUZOFGEYET-AWEZNQCLSA-N 445.878 4.008 5 20 IIBD Cc1ccc(CC(=O)N2CCCC23CN(C(=O)c2ccc(CC(C)C)cc2)C3)cc1[N+](=O)[O-] 1845205996 SZMICOQZINFQSR-UHFFFAOYSA-N 449.551 4.161 5 20 IIBD CCC1(C(=O)N2CC3(CCCN3C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C2)CCC1 1845739150 PXJIPYOEWRYTTA-UHFFFAOYSA-N 427.526 4.207 5 20 IIBD C[C@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 1847408429 JEKDMRQWUQXGCI-MRFFXTKBSA-N 445.878 4.006 5 20 IIBD CC(=O)CCc1ccc2oc(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)c(C)c2c1 8807239 KKQGURZQUGWQCM-UHFFFAOYSA-N 439.420 4.395 5 20 IIBD COc1ccc2c(c1)CCCN2C(=O)CSc1nc2cc3ccccc3cc2c(=O)n1C 11061031 JFJNPDOLSYUVHF-UHFFFAOYSA-N 445.544 4.167 5 20 IIBD Cc1ccc(-c2csc3ncn(CC(=O)N(C)c4ccc([N+](=O)[O-])cc4)c(=O)c23)cc1C 11067904 BFWJXRWCYZPSFL-UHFFFAOYSA-N 448.504 4.313 5 20 IIBD CC1CCN(c2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc2[N+](=O)[O-])CC1 15582711 RJQUMWIUDZTNRE-UHFFFAOYSA-N 436.556 4.226 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl 18215915 GQVPGCPITKKDKN-SNVBAGLBSA-N 448.854 4.371 5 20 IIBD Cc1nc(COc2ccccc2C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cs1 19485378 HPQIZKPQIGYUIP-UHFFFAOYSA-N 441.465 4.043 5 20 IIBD C[C@H]1CCCN(C(=O)COC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 20970945 YCHACLSOBOKTBR-AWEZNQCLSA-N 432.860 4.456 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1I 23120044 YOMROVFUZUCLHZ-JTQLQIEISA-N 428.251 4.319 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)NCc1sccc1C 25999628 ONKDRBLFWLHUAX-UHFFFAOYSA-N 445.522 4.004 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)NCC(F)(F)F 27404506 FIHUQKNEBMSEBW-NSHDSACASA-N 427.404 4.006 5 20 IIBD CC(=O)c1ccc(N2CCN(c3cc(C)nc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)c(F)c1 60858523 YLCWNMWVABSSRR-UHFFFAOYSA-N 435.459 4.029 5 20 IIBD O=C(N[C@H](Cc1cccc(F)c1)c1cccc(F)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 61315592 QXAAZXYETYWJNC-HXUWFJFHSA-N 449.417 4.168 5 20 IIBD Cn1cc(C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 63951365 DWKWSBGNBVLBPF-UHFFFAOYSA-N 441.447 4.500 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1 107995232 ITVDTQFNUOZBFD-HNNXBMFYSA-N 436.468 4.110 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1cc(F)ccc1N1CCCCC1 110505631 IYRDASIXQHPFFQ-UHFFFAOYSA-N 442.447 4.051 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccnc(N2CCCCCC2)c1 216986658 OFMZJGRDSWKRLD-UHFFFAOYSA-N 440.547 4.247 5 20 IIBD COC(=O)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Br)cc1 247837220 MNPFNZDNKQRXCP-HNNXBMFYSA-N 441.665 4.045 5 20 IIBD NC(=O)C1CCN(c2ccc(Nc3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])cc2)CC1 301074617 CJVLGJOZFQHNIU-UHFFFAOYSA-N 444.491 4.271 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)c1[N+](=O)[O-] 301628089 HZSMPIHKZZVYGN-CYBMUJFWSA-N 442.255 4.268 5 20 IIBD Cc1cc(CN[C@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)O)ccc1Oc1cccnc1 426740716 ILLMRVFVXXAIMO-JOCHJYFZSA-N 446.463 4.357 5 20 IIBD CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)CCNc1ccccc1[N+](=O)[O-] 427419483 FISICUTWROMTEX-UHFFFAOYSA-N 440.500 4.060 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@H]2CCc3ccc(-c4ccccc4)cc32)cc1[N+](=O)[O-] 427437993 BDVKDRLJIJVXRN-FQEVSTJZSA-N 431.448 4.013 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](c2cccc(F)c2)C(C)(C)C)cc1OC 427889269 WAJXFHAPYFWJRW-HXUWFJFHSA-N 434.464 4.285 5 20 IIBD CCOc1nc(C(F)(F)F)ccc1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 428645026 XZIJANWTEAVRRO-UHFFFAOYSA-N 439.390 4.091 5 20 IIBD O=C(NCc1nccn1CCCc1ccccc1)c1ccc(Br)cc1[N+](=O)[O-] 434369028 YUZMOWAKFLNGIZ-UHFFFAOYSA-N 443.301 4.117 5 20 IIBD CCCOc1ccc2c(c1)CCN(C(=O)c1ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc1)C2 435384383 MMVQRMYJHPNERU-UHFFFAOYSA-N 448.523 4.444 5 20 IIBD C[C@H]1CCC[C@@](CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)(N(C)C)C1 436148922 IJISZKKFBAKZNN-LFPIHBKWSA-N 427.495 4.200 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1C[C@@H](c2ccccc2)c2ccccc21 436272109 FVEAQLLWWNLBDB-FQEVSTJZSA-N 443.459 4.462 5 20 IIBD COc1cc(CN[C@@H]2CCOc3ccc(F)cc32)c([N+](=O)[O-])cc1OCC(F)(F)F 436398541 GBEDBHJURZZIIE-CQSZACIVSA-N 430.354 4.297 5 20 IIBD CCOc1ccc(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc1F 436419698 KHGSDLPLDSSPOD-UHFFFAOYSA-N 426.394 4.427 5 20 IIBD CC(C)N(Cc1cccc(Cl)c1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 437058664 XLFAQTNHNAAJLF-UHFFFAOYSA-N 441.818 4.225 5 20 IIBD COC(=O)c1ccc(OC(C)C)c(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 437259678 BFSXJMYWTLGWOQ-UHFFFAOYSA-N 426.347 4.440 5 20 IIBD Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 440131587 HZTBRWWTIONPBH-UHFFFAOYSA-N 425.488 4.382 5 20 IIBD O=C(NCc1ccnc(N2CCCCCC2)c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 444007991 IKBXSWMRAPLJJO-UHFFFAOYSA-N 426.520 4.387 5 20 IIBD COc1cc(N(C)C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc(OC)c1OC 444078451 WDEHROJZMLJBBT-UHFFFAOYSA-N 436.439 4.123 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccc(OC3COC3)cc2)cc1[N+](=O)[O-])c1ccccn1 444316053 JEGPUIGKLHRELK-HNNXBMFYSA-N 434.452 4.193 5 20 IIBD CCc1[nH]nc(C(=O)N[C@@H](CC(F)(F)F)c2ccc(Br)cc2)c1[N+](=O)[O-] 444361933 HSVKSHWHTGVPNN-NSHDSACASA-N 435.200 4.066 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(CC(=O)N[C@H](C)c2ccccc2)no1 445306619 ZGHXOUUNKSSERY-OLZOCXBDSA-N 430.848 4.191 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 446900799 RMYGVQFNLKZQIX-QGZVFWFLSA-N 439.863 4.048 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cn1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 448053210 XVNOBWSSWBPDEH-UHFFFAOYSA-N 448.548 4.016 5 20 IIBD CCCCn1ncc(NC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])c1C 448423787 CQJIONFZHTXJLY-UHFFFAOYSA-N 445.501 4.196 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCc4ccsc4C3)n2C[C@H]2CCCCO2)c1 461813156 WDPUQAVKFXYOIK-GOSISDBHSA-N 425.514 4.047 5 20 IIBD Cc1sc(Br)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 462360810 PZCZPMDTNHNOQS-UHFFFAOYSA-N 428.289 4.076 5 20 IIBD CC[C@@H](Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1)C(=O)O 463788145 QBZHYGTZJVNTDP-LBPRGKRZSA-N 446.403 4.068 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCO[C@H](c2cccc(Cl)c2)C1 469019843 PESUMDNAZGLJML-XIKOKIGWSA-N 425.268 4.269 5 20 IIBD O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1cccc(-n2ccc(C(F)(F)F)n2)c1 471696277 GMILJRLOYGQTBR-UHFFFAOYSA-N 442.357 4.237 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(CCCN(Cc4ccccc4)C3)C2)c1 473494762 ICTFQWZVEDULQG-HSZRJFAPSA-N 425.554 4.445 5 20 IIBD COC(=O)COc1ccc([C@H](C)NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 475200756 BKQFBNHOCMHARM-NSHDSACASA-N 441.362 4.048 5 20 IIBD COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)cc1 475312872 MNCVJBUANBYAPD-UHFFFAOYSA-N 443.463 4.471 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 477157501 ASYUUJHZLOIHHJ-HXUWFJFHSA-N 438.528 4.347 5 20 IIBD COc1cccc(CC(=O)N2CCc3ccc(NCc4ccc([N+](=O)[O-])cc4F)cc32)c1 478258868 UBEZPPJAKQZDIB-UHFFFAOYSA-N 435.455 4.486 5 20 IIBD Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)cc2)n1 478536484 RSWPAYQTTFOOAR-KRWDZBQOSA-N 430.468 4.074 5 20 IIBD Cc1c(CNC(=O)N2CCO[C@@H](c3ccc(Br)cc3)[C@H]2C)cccc1[N+](=O)[O-] 480058099 JSIVUBYYIPDOSH-AUUYWEPGSA-N 448.317 4.337 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 482143783 SSXUGFDWWIECDI-QGZVFWFLSA-N 429.477 4.248 5 20 IIBD CCc1nc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])sc1C(=O)OC 486328498 UZJICWHHRYNVKZ-UHFFFAOYSA-N 441.465 4.232 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2ncccn2)cc1C 488294693 NVPNNSKMIUVYFI-UHFFFAOYSA-N 440.481 4.476 5 20 IIBD Cc1ccc([C@H](C)NC(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)cc1[N+](=O)[O-] 489434295 VLNSECLPXGJDKT-INIZCTEOSA-N 433.468 4.111 5 20 IIBD COc1cc(CN(C)C2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])cc1OCC(F)F 491149607 UDLCIYMMRSQOST-UHFFFAOYSA-N 449.498 4.344 5 20 IIBD O=C(NCc1nccn1CCCc1ccccc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 495037451 KZDMJKOTTRPSNO-UHFFFAOYSA-N 433.512 4.298 5 20 IIBD CCn1cnnc1-c1cccc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 497408028 OAYTUAQTNDSVCP-UHFFFAOYSA-N 448.405 4.333 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 497477463 VDSPLIMYZHEREG-AWEZNQCLSA-N 445.903 4.179 5 20 IIBD CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 498158966 DVTBYGATNKCJHG-FQEVSTJZSA-N 440.450 4.330 5 20 IIBD Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 506921349 ILIXUXHRTZULKD-SJORKVTESA-N 435.402 4.313 5 20 IIBD COc1cc(CNCC(=O)Nc2cccc(F)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 507934724 WCEBNTAIZWNYFZ-UHFFFAOYSA-N 439.443 4.050 5 20 IIBD CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 509747876 YGXKNHHFMSCZEM-MRXNPFEDSA-N 448.545 4.125 5 20 IIBD CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 509837822 ULKSIMAEWBCPMU-UHFFFAOYSA-N 434.334 4.390 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(CSc2ccccn2)c1 509858240 MFAPNLXKNDYSHA-HNNXBMFYSA-N 436.493 4.039 5 20 IIBD Cc1c(Br)cc(C(=O)N2C[C@H](C)O[C@H](c3ccsc3)C2)cc1[N+](=O)[O-] 510479421 OTHASFGHDWKGSE-QFYYESIMSA-N 425.304 4.329 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2ccc([C@H](C)N3CCOCC3)cc2)cc1[N+](=O)[O-] 510529851 RUWVXJXUBZPZBA-AWEZNQCLSA-N 448.317 4.311 5 20 IIBD CC(=O)N(c1ccc(Cl)cc1)c1nc(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)cs1 510644366 FJQJXBYORPPZEW-UHFFFAOYSA-N 444.856 4.346 5 20 IIBD CC1CCN(c2ccc(C(=O)N(Cc3ccco3)C[C@@H]3CCCO3)cc2[N+](=O)[O-])CC1 511586962 IBRBZKYXUNEWBE-FQEVSTJZSA-N 427.501 4.246 5 20 IIBD Cc1ccccc1-n1nc(C)c(CN(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1C 512947022 FSCIEXNUWMYSTI-UHFFFAOYSA-N 442.541 4.143 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)cc1[N+](=O)[O-] 513004619 PJJCUINVYSSWLV-REPLKXPHSA-N 449.536 4.425 5 20 IIBD CC(C)(C)S(=O)(=O)Cc1ccc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)cc1 513739558 JSOVXLXNHDHODZ-UHFFFAOYSA-N 442.440 4.162 5 20 IIBD O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCCc2c1cccc2[N+](=O)[O-] 513839306 IBJWURVPFDZUGU-UHFFFAOYSA-N 425.448 4.436 5 20 IIBD COc1ccc(C)cc1C1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCOCC1 516273120 SMKQKCGOJHOOOJ-UHFFFAOYSA-N 433.892 4.435 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1(c2cccc(F)c2F)CCCC1 516355281 QYHIDKZMIDKVQG-UHFFFAOYSA-N 431.439 4.002 5 20 IIBD COc1cc(OCC(=O)Nc2nc(-c3ccc(Cl)s3)cs2)ccc1[N+](=O)[O-] 519035048 NSOBTMMXWRCUPC-UHFFFAOYSA-N 425.875 4.459 5 20 IIBD O=C(NCc1ccc(Br)cc1Cl)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 520003124 NZUNSDLFPRHJGY-UHFFFAOYSA-N 435.665 4.126 5 20 IIBD CC(C)Oc1ccc(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c(C(F)(F)F)c1 520967988 NAYIVUIXUHXGNC-UHFFFAOYSA-N 435.362 4.234 5 20 IIBD NC(=O)c1ccc(SCc2nc(-c3cccnc3Oc3ccccc3)no2)c([N+](=O)[O-])c1 521356290 RUTHRVUTUPLGRL-UHFFFAOYSA-N 449.448 4.223 5 20 IIBD O=C1[C@@H](Sc2nnc(Nc3ccccc3F)s2)CCN1c1cccc([N+](=O)[O-])c1 521837475 KXXXIUBUSNAHPD-HNNXBMFYSA-N 431.474 4.227 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 522577756 ZNSIXRWZFMPRPB-KRWDZBQOSA-N 449.442 4.145 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](Cc1ccccc1)c1sccc1C 523047586 MGGQNDIHATWCRN-SFHVURJKSA-N 439.493 4.012 5 20 IIBD Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n(-c2ccc(Cl)cc2)n1 523458643 QJDLLQSIOIFVHE-UHFFFAOYSA-N 427.269 4.197 5 20 IIBD COc1ccc(CC[C@@H]2CCCCN2C(=O)COc2ccccc2[N+](=O)[O-])cc1OC 523846684 RTQWWHOIZGFBNT-SFHVURJKSA-N 428.485 4.005 5 20 IIBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 524554460 HPMRTYANWMYROH-JOCHJYFZSA-N 443.887 4.021 5 20 IIBD CSc1cc2c(cc1NC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-])OCCO2 525346959 UWMVKIDFSGFODF-UHFFFAOYSA-N 432.502 4.020 5 20 IIBD Cc1ccc([C@@H](C)N[C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)cc1[N+](=O)[O-] 530727157 DGBRCCCVOJLMJI-HUUCEWRRSA-N 434.334 4.363 5 20 IIBD CC(C)(C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1)c1ccc([N+](=O)[O-])cc1 532658742 JGSPBCPAGYJVKY-GOSISDBHSA-N 433.302 4.235 5 20 IIBD CN(C)C1CCN(c2ccc(NCc3csc(-c4cccc([N+](=O)[O-])c4)n3)nc2)CC1 533187833 URVATGHINUEASF-UHFFFAOYSA-N 438.557 4.256 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(N2CCOCC2)cc1C(F)(F)F 536131450 DIHXCOLJJNEZHB-UHFFFAOYSA-N 448.401 4.113 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CCN2CCOCC2)cc1 538237112 JKIFNCMXQUSMCM-UHFFFAOYSA-N 429.542 4.222 5 20 IIBD CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 539462574 CKPHAPCGLSAUBT-UHFFFAOYSA-N 440.450 4.139 5 20 IIBD COc1ccc(-c2noc(COc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)c(OC)c1 541280818 CMYFCUAVGGUBLR-UHFFFAOYSA-N 425.319 4.260 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 541315446 FYYUVKMTTQZVHW-UHFFFAOYSA-N 431.876 4.061 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC[C@H](O)COc1ccccc1[N+](=O)[O-] 541657159 JNJYTAVZDGKFHK-GUYCJALGSA-N 431.489 4.256 5 20 IIBD COc1ccc(-c2nc(C)c([C@H](C)NS(=O)(=O)Cc3ccccc3[N+](=O)[O-])s2)cc1 546063634 LBIYZQVYHJTSOW-AWEZNQCLSA-N 447.538 4.216 5 20 IIBD CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 546258162 IXCDREDVFUGWCT-UHFFFAOYSA-N 436.877 4.042 5 20 IIBD Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NC(=O)c1c[nH]nc1[N+](=O)[O-] 548955265 ZAJBWCUKBIFQDP-QMMMGPOBSA-N 436.291 4.003 5 20 IIBD CC(C)c1noc(Cc2ccc(NS(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2)n1 549935036 VBZZNWIRIRPNBI-UHFFFAOYSA-N 436.877 4.146 5 20 IIBD O=[N+]([O-])c1cc2c(Sc3nnc(-c4ccccn4)n3-c3ccccc3)ncnc2s1 553147503 CBVBWCFHNGHRGT-UHFFFAOYSA-N 433.478 4.393 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 553270008 WTOJUSLJKXMVQT-ZCNNSNEGSA-N 435.480 4.078 5 20 IIBD COc1cc(C(=O)NC[C@H](Cc2ccccc2)C(F)(F)F)c([N+](=O)[O-])cc1OC(F)F 558557079 IDEQAXUOKQPAOR-LBPRGKRZSA-N 448.344 4.356 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(Cc1ccccc1)[C@H](CO)C1CC1 563515064 COAYYSNUTXWERP-LJQANCHMSA-N 433.302 4.079 5 20 IIBD O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CC[C@@H](C(F)(F)F)[C@H](CO)C1 565485032 NWAMYUMRLTYIAH-KBXCAEBGSA-N 440.443 4.379 5 20 IIBD C[C@H](C(=O)N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 568948092 RZDFQHNXJVIGBP-AOMKIAJQSA-N 438.505 4.008 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)NCCSCc2ccccc2F)cc1[N+](=O)[O-] 570469074 WDHHDVPHLGHJBQ-UHFFFAOYSA-N 433.505 4.020 5 20 IIBD COc1cc(C)c(Br)cc1C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 577225158 LJZJHEXKFUCJHT-UHFFFAOYSA-N 437.246 4.088 5 20 IIBD O=C1N[C@@H](c2ccc3c(c2)CCO3)C(=O)N1c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 584523241 OXWCABNABMXOMP-NRFANRHFSA-N 431.404 4.120 5 20 IIBD COc1ccc(CSCC(=O)N(C)Cc2ccc(Br)s2)cc1[N+](=O)[O-] 603565785 RIUALONCAGUNDP-UHFFFAOYSA-N 445.360 4.319 5 20 IIBD Cc1ccc(-c2csc(NC(=O)[C@H]3CC(=O)N(C4CCCCC4)C3)n2)cc1[N+](=O)[O-] 603567667 NXXIZDLMZXFBQA-HNNXBMFYSA-N 428.514 4.146 5 20 IIBD NC(=O)CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CC1 603919451 IXZDWOMPNVCSNK-UHFFFAOYSA-N 433.917 4.127 5 20 IIBD Cc1cc(OC(C)C)ccc1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 603993847 YRODZJUNJGEWDE-UHFFFAOYSA-N 427.486 4.222 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(CCN3CCCCC3)cc2)c([N+](=O)[O-])cc1OC 604028018 JDXIGGBVIBAARB-UHFFFAOYSA-N 427.501 4.283 5 20 IIBD COC(=O)c1ccc2nc(S[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)oc2c1 609751930 BXNJWLTWBYSHHO-SNVBAGLBSA-N 426.410 4.426 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 609789501 YDKVLLUFUQRGPB-UHFFFAOYSA-N 431.514 4.109 5 20 IIBD O=C(Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1)c1cccc2c1OCCO2 609816709 DWBLIOKPWWEVCY-UHFFFAOYSA-N 432.392 4.064 5 20 IIBD O=C(c1cnc(-c2ccccc2Cl)s1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 609838116 NYIYINVCJJHMDY-LBPRGKRZSA-N 429.889 4.093 5 20 IIBD Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c1 610664582 JXSLTQJIQXHFPC-UHFFFAOYSA-N 425.514 4.448 5 20 IIBD COc1ccc(COCCC(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cc1 611400706 HTQWGDYEHFCMOU-UHFFFAOYSA-N 427.482 4.297 5 20 IIBD Cc1c(NC(=O)[C@H](C)N[C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)cccc1[N+](=O)[O-] 612051711 JSMLLJYUPOYKNR-VXPBHUBDSA-N 436.556 4.121 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 612624781 WHOUALSVJIMXQZ-GHMZBOCLSA-N 448.385 4.399 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccccc2Oc2ccccn2)no1 612922149 URLCPCWCFASSFY-CQSZACIVSA-N 431.408 4.323 5 20 IIBD COc1ccccc1[C@@H](C)N(C)C(=O)CSc1nc2cc3ccccc3cc2c(=O)n1C 613972856 HFMSNNKHBVLJLD-MRXNPFEDSA-N 447.560 4.407 5 20 IIBD COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)nn1 619602083 KJVNJTZPHNDGBR-UHFFFAOYSA-N 444.856 4.228 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 725986351 DHMIBZFFTNHIJK-SNVBAGLBSA-N 441.318 4.014 5 20 IIBD C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 726230374 NAUSSTZCMDTSOT-CQSZACIVSA-N 445.907 4.387 5 20 IIBD C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1c(Cl)cccc1Cl 726316386 ZRFNPCBZFFSNBD-VIFPVBQESA-N 430.675 4.413 5 20 IIBD CC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 727121799 QZPMBSLNLOCMNT-SFHVURJKSA-N 443.456 4.056 5 20 IIBD O=C(Nc1ccc(Sc2nncs2)c(Cl)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 728186434 QEGCAMYWDHWHBT-UHFFFAOYSA-N 437.846 4.411 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(-c2nc3cc(F)ccc3[nH]2)cc1 729956908 CALDLBFVEJSLKO-UHFFFAOYSA-N 430.399 4.266 5 20 IIBD COc1ccc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2N)cc1NC(=O)C1CCCCC1 734864788 HANXLLIKRNOCTF-UHFFFAOYSA-N 426.473 4.265 5 20 IIBD CC(C)[C@H](CNC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1 740420750 APGSMTUKEZBZNZ-KRWDZBQOSA-N 449.301 4.070 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1CN(c1nccs1)S(=O)(=O)c1ccc(Cl)nc1 742357739 KQAMCASGUPMLLJ-UHFFFAOYSA-N 445.309 4.149 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1nc(-c2ccc(Cl)cc2)no1 742941119 KDJJHZYOXPUKIR-CYBMUJFWSA-N 441.875 4.389 5 20 IIBD Cc1c(Br)cccc1C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 744118086 WVTZGACPFVWANY-AWEZNQCLSA-N 447.285 4.127 5 20 IIBD Cc1c(C(=O)OCc2ccccc2OCC(F)(F)F)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 744899763 UIGQPBGRIIVIGA-UHFFFAOYSA-N 428.319 4.418 5 20 IIBD COc1cccc(C2(C(=O)O[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CCCC2)c1 744992800 VBYWKUILCIXHHJ-MRXNPFEDSA-N 426.469 4.294 5 20 IIBD C[C@H](OC(=O)[C@@H](C)c1ccccc1C(F)(F)F)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 745310350 ZYUIWBOGJOHPEU-QWRGUYRKSA-N 428.338 4.427 5 20 IIBD O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1SCC(=O)N1CCCC1 746056337 FRUNMAMJUYYHEC-UHFFFAOYSA-N 434.901 4.320 5 20 IIBD CCCC[C@@H](OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)Nc1cc(C)on1 747119016 MDDBZZVNOAURGL-CQSZACIVSA-N 429.351 4.264 5 20 IIBD C[C@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H](OC1CCOCC1)c1ccccc1 747416709 SMGLHUKFTXDPAU-YCRPNKLZSA-N 447.919 4.373 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 747422252 UFSZWBQTTYQMNN-CHWSQXEVSA-N 445.438 4.379 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)CC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 748237575 WZICAVQYTDXNSU-ZXFUBFMLSA-N 434.489 4.215 5 20 IIBD CC[C@H](C)c1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1 748951347 PNARAXMNYQKCQU-LBPRGKRZSA-N 429.429 4.429 5 20 IIBD Cn1ccnc1Sc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Br 751120485 LSEPLANJRQMBOJ-UHFFFAOYSA-N 433.287 4.494 5 20 IIBD Cc1ccc(Cn2cccc(NC(=O)c3ccc(Br)c([N+](=O)[O-])c3)c2=O)cc1 754417978 WEYTWCLCYQLKJD-UHFFFAOYSA-N 442.269 4.128 5 20 IIBD C[C@H](C(=O)OCC(=O)NCc1ccccc1OC1CCCC1)c1ccc([N+](=O)[O-])cc1F 755067891 QQXHEAJMNIGELW-HNNXBMFYSA-N 444.459 4.018 5 20 IIBD Cc1cc(-c2noc([C@H](C)N[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2)ccc1F 755165718 HMGBNBWMLJCYFV-RYUDHWBXSA-N 447.854 4.424 5 20 IIBD COC(=O)CS(=O)(=O)Cc1ccc(CNCc2c3ccccc3cc3ccccc23)cc1 759838293 CJMXASFICVIRJY-UHFFFAOYSA-N 447.556 4.371 5 20 IIBD COc1ccc(SCCC(=O)O[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1OC 759935140 YNKDCPGGTDEKAI-CVEARBPZSA-N 435.502 4.018 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(CCNc2ccccc2[N+](=O)[O-])no1 761968797 LBPXPTMMKRZSDH-LLVKDONJSA-N 433.808 4.334 5 20 IIBD Cc1cc(-n2c(C)cc(C(=O)COC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)c2C)no1 762978775 FSGYNVOCABWJSZ-UHFFFAOYSA-N 443.431 4.142 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)O[C@@H]2CCO[C@@H]([C@H]3CCOC3)C2)cc1 763091367 CAVCKGVTHHIMRG-VQPPSCEASA-N 443.452 4.137 5 20 IIBD CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)c3cc(F)c([N+](=O)[O-])cc3F)cc2)c1 763482878 MNBCZIGWQTULHC-UHFFFAOYSA-N 448.403 4.321 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c1F 763920629 CGQWFKHDNVANBD-UHFFFAOYSA-N 443.456 4.120 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCO[C@@H](c3ccc(F)cc3)C2)c1=S 764877726 ONUHVBFOJFOMAA-LJQANCHMSA-N 443.504 4.179 5 20 IIBD CSc1nc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc34)cc2s1 766355431 WIEMIGGWAVCYII-UHFFFAOYSA-N 432.508 4.275 5 20 IIBD C[C@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C 769425855 ZDPKJTIFJKTNEZ-WFASDCNBSA-N 428.327 4.092 5 20 IIBD Cc1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c(C)c1 772476355 DQEQSQYMXIDRKV-UHFFFAOYSA-N 425.485 4.243 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c32)cc1[N+](=O)[O-] 773018710 ARZILQJVACYHHM-UHFFFAOYSA-N 433.486 4.002 5 20 IIBD O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])c2cccnc12 773461065 LLCIJKHBYSFBIH-UHFFFAOYSA-N 432.186 4.171 5 20 IIBD CC(C)([C@@H](OC(=O)C[C@H]1C(=O)Nc2ccccc21)c1ccc(Br)cc1)[N+](=O)[O-] 774371022 XVOWVFJOUKKYAI-QAPCUYQASA-N 447.285 4.215 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)C1CCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 774625263 DSESZOFPVCMJAZ-ZDUSSCGKSA-N 437.928 4.181 5 20 IIBD CC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2Br)c1 775208033 JSIMVVBBJRIIFC-UHFFFAOYSA-N 433.667 4.014 5 20 IIBD C[C@@H](CC(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(=O)c1ccc(Cl)cc1 777216619 UAXXJMNROJAEBF-NSHDSACASA-N 439.251 4.292 5 20 IIBD Cc1c(Br)cc(C(=O)NCCSCc2ccnc(Cl)c2)cc1[N+](=O)[O-] 777447404 MHCCAGUKFGKRMR-UHFFFAOYSA-N 444.738 4.377 5 20 IIBD Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cnoc1-c1ccccc1 777644207 FMIKMJWEIJUHTR-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD Cc1noc(-c2cc(Cl)ccc2OS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 778081963 ZULCPGVUJLGVTB-UHFFFAOYSA-N 430.225 4.028 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 778714339 DTULCBOMMJFKHO-UKRRQHHQSA-N 446.529 4.094 5 20 IIBD CCc1cc(=NC(=O)c2cc(Br)cnc2Cl)c2cc([N+](=O)[O-])ccc2[nH]1 779469117 CPFMJHUZASNPGO-UHFFFAOYSA-N 435.665 4.191 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@H](c3ccccc3)N(C)CC)CC2)ccc1[N+](=O)[O-] 780389880 STLPHTFEQDWRDR-QHCPKHFHSA-N 441.528 4.199 5 20 IIBD CCC(=O)Nc1ccc(C(=O)COC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 781260462 PIFSTYHTGOPDQN-UHFFFAOYSA-N 428.444 4.070 5 20 IIBD C[C@H](COc1ccccc1C(F)(F)F)NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781607327 ROWKDSIIWCDWJN-GFCCVEGCSA-N 441.362 4.038 5 20 IIBD Cc1nc(CNC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])oc1-c1ccc(Cl)cc1 782010075 KDXSAYKKNCWWJX-UHFFFAOYSA-N 444.831 4.369 5 20 IIBD C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 783315531 IKMKQBNRKFACDJ-JTQLQIEISA-N 429.782 4.425 5 20 IIBD O=C(OCc1nnc(-c2ccccc2Br)o1)c1cccc(Cl)c1[N+](=O)[O-] 784018000 NWXKQQXKAKBHFC-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD O=C(NCCOC(=O)C1(Cc2ccccc2Cl)CC1)c1ccc([N+](=O)[O-])cc1Cl 784500895 WFXJISKLGKKXBZ-UHFFFAOYSA-N 437.279 4.198 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(COc2ccc(Cl)nc2)CC1 789314397 AEHARXWPYMWBPO-UHFFFAOYSA-N 432.908 4.071 5 20 IIBD COc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c2nc(C)ccc12 790914459 KDRLQINWNMDEIB-UHFFFAOYSA-N 442.371 4.247 5 20 IIBD CC(C)Cc1ccc(C(=O)C2CCN(Cn3c(=O)oc4cccc([N+](=O)[O-])c43)CC2)cc1 794621098 TVAFVDIINNPQHJ-UHFFFAOYSA-N 437.496 4.254 5 20 IIBD O=C(COc1cc(F)c([N+](=O)[O-])cc1Cl)Nc1ccnn1Cc1ccccc1Cl 795262422 WMCIVIDZRVWHSO-UHFFFAOYSA-N 439.230 4.303 5 20 IIBD O=c1cc(O)n(C2CCCC2)c(SCc2ccc(Br)c([N+](=O)[O-])c2)n1 800833029 HHMFEWXLHUCJDY-UHFFFAOYSA-N 426.292 4.027 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1OCc1cn2ccccc2n1 804176749 TYVRQQRHBWXXTF-UHFFFAOYSA-N 430.464 4.136 5 20 IIBD Cc1c(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 804406952 NCZALSHDRFIRIU-QFIPXVFZSA-N 435.436 4.187 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Oc2c(Cl)cccc2[N+](=O)[O-])c(Cl)cc1Cl 809827040 ZUYFHDFLXGMZBY-UHFFFAOYSA-N 427.605 4.231 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c(OC)c1 811374498 IPJFHUCKHNRUQJ-SECBINFHSA-N 443.239 4.103 5 20 IIBD COc1cc([C@@H](C)NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc(OC)c1OC 812914172 HGMUNFHEJVNITH-SECBINFHSA-N 429.256 4.418 5 20 IIBD O=C(O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)c1csc(Cc2cccc(F)c2)n1 813174142 QNMIJEUSAGIDSS-IBGZPJMESA-N 441.484 4.213 5 20 IIBD C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 813879860 YNTIPVXPFZVVGX-AEFFLSMTSA-N 446.548 4.224 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCN(Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)CC2)C1 814229957 VAKNXYBKGCHBTE-UHFFFAOYSA-N 441.532 4.139 5 20 IIBD CCCc1nc(C)c(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)o1 814327482 MMZLKUXJVVPJEH-QGZVFWFLSA-N 429.473 4.086 5 20 IIBD Cc1ccc([C@@H](NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])c2ccccn2)cc1 815042513 LVHXFRAHJRFZFM-LJQANCHMSA-N 435.864 4.159 5 20 IIBD O=C(CCc1nc(-c2cccs2)no1)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F 815176896 PEIVNFJDPUOWEM-UHFFFAOYSA-N 427.360 4.401 5 20 IIBD CSc1ccc(C(=O)COC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc1NC(C)=O 815407143 IZAUDXUFDGLLGD-UHFFFAOYSA-N 436.873 4.277 5 20 IIBD COc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 846283207 FNHMBIJJEFBIKN-ZDUSSCGKSA-N 447.875 4.041 5 20 IIBD COc1cc(C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)cc(OC)c1C 864242852 SRIMNBZHBRKMTI-UHFFFAOYSA-N 440.456 4.021 5 20 IIBD CC(C)(C)c1ccc(C(=O)OCc2nc(COc3ccc(F)cc3)no2)cc1[N+](=O)[O-] 877884566 UBEKYCBCOYQYKM-UHFFFAOYSA-N 429.404 4.350 5 20 IIBD COc1cc(-c2nc(-c3ccc(-n4cnc5ccccc54)nc3)no2)c([N+](=O)[O-])cc1OC 904487134 NWGYEJCKWQVXCJ-UHFFFAOYSA-N 444.407 4.063 5 20 IIBD C[C@@H]1CN(C(=O)CNc2cc([N+](=O)[O-])ccc2Nc2cccc(C(F)(F)F)c2)CCO1 914786212 YCAOVPREKNIEBK-CYBMUJFWSA-N 438.406 4.016 5 20 IIBD COc1ccc(OC)c([C@@H](O)CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)c1 915224719 IMCLNALNZRIIKY-NRFANRHFSA-N 442.443 4.367 5 20 IIBD COc1cc(CCNC(=O)Nc2ccc3nc(SC)sc3c2)c([N+](=O)[O-])cc1OC 915311952 UEQUMNJJNCDNOM-UHFFFAOYSA-N 448.526 4.308 5 20 IIBD C[C@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(=O)Nc1ccc(Br)cc1 919213958 OBXBHWGTBXCEJN-JTQLQIEISA-N 433.214 4.288 5 20 IIBD C[C@H](OC(=O)c1ccc(O[C@@H](C)c2ccccc2)nc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 919214893 NGBFOSNTCHIXEH-HOTGVXAUSA-N 435.436 4.314 5 20 IIBD COc1ccc2cc(CN(C)C(=O)[C@H](C)OC(=O)c3cc(C)cc([N+](=O)[O-])c3)ccc2c1 920906316 VTPKXMCOTUQSHJ-INIZCTEOSA-N 436.464 4.269 5 20 IIBD C[C@@H](OC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 923162016 UVHUBXKBDANWGS-OAHLLOKOSA-N 426.450 4.314 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(Cn1nc(-c3ccncc3)n(Cc3ccccc3)c1=S)C2 1116151812 JKCXDFVWKRLVBK-UHFFFAOYSA-N 444.520 4.406 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCO[C@H](c2ccc(Cl)s2)C1 1318824945 NXHYHESNRGVEGQ-KRWDZBQOSA-N 435.933 4.126 5 20 IIBD Cc1cccc(-c2nnc(COc3ccccc3[N+](=O)[O-])o2)c1I 1322204790 HQVNUTMKDHGPRB-UHFFFAOYSA-N 437.193 4.137 5 20 IIBD Cc1ccc(NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c(Cl)c1Cl 1341244580 ZFOLNVGYPRXAIC-UHFFFAOYSA-N 443.312 4.261 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3cccnc3Cl)CCC2)cc1)c1ccc([N+](=O)[O-])o1 1785747212 IOTVHGQAZLSVRN-UHFFFAOYSA-N 440.843 4.298 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(O)cc([N+](=O)[O-])c4)CCC3)cc2)nc1 1787480885 NRLXXPQKULNZRA-UHFFFAOYSA-N 446.463 4.065 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)Nc1ccc(C2(NC(=O)CC(C)C)CCC2)cc1 1790805804 JISDYYAJFPSLHW-UHFFFAOYSA-N 425.485 4.403 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/C1CCCCC1)C2 1800700007 SYZUYKOXUCZJQR-JNYVGJRZSA-N 443.519 4.431 5 20 IIBD COCCn1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc2ccccc21 9073694 QLSWSSKWGQWNAQ-GFCCVEGCSA-N 434.905 4.364 5 20 IIBD C[C@@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 9637921 WGEQQSUTQGACDF-GFCCVEGCSA-N 427.461 4.447 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CSc1nnc(N2CCC[C@@H](C)C2)n1Cc1ccco1 12159822 JHGWTLJVRSUBGW-OAHLLOKOSA-N 443.529 4.365 5 20 IIBD C[C@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 17768384 ZORXOHDLTYUMHK-NSHDSACASA-N 444.904 4.356 5 20 IIBD C[C@@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 22469349 JQYHLIWFKIHISP-RXMQYKEDSA-N 438.692 4.128 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2ccnn2C(C)C)nc2cc3ccccc3cc2c1=O 24892037 BFLIOGAVZUHOJC-HNNXBMFYSA-N 435.553 4.466 5 20 IIBD COC(=O)c1cc(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)cc([N+](=O)[O-])c1 29903304 XPLPYGZXJZDYMC-UHFFFAOYSA-N 432.738 4.228 5 20 IIBD O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 33097670 VGZQWIZFKBHYGM-INIZCTEOSA-N 448.266 4.021 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCC(CN2CCCCCC2)CC1 61552872 HJOYEOAEAACJAF-UHFFFAOYSA-N 443.466 4.264 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1NC(=O)N1CCCC1 64858094 KZWBBTYUVKTNEJ-CYBMUJFWSA-N 432.864 4.282 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1ccc(Cl)nc1Cl)c1ccccc1[N+](=O)[O-] 109581181 GILRSEZAWRCBPM-CYBMUJFWSA-N 426.256 4.109 5 20 IIBD COc1ccc(CNC[C@@H]2CCCN(C(C)C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 237183919 BTFQICBOQCUIJV-NRFANRHFSA-N 427.545 4.392 5 20 IIBD O=C(O)CCN(Cc1cccc(F)c1F)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 238158530 AVYWGVFTRSFGDZ-UHFFFAOYSA-N 447.419 4.114 5 20 IIBD C[C@H](NC1(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCCC1)c1ccccc1 303340811 FKHHSECIKBGSCF-SFHVURJKSA-N 433.512 4.174 5 20 IIBD O=C(O)[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1cc(C(F)(F)F)ccc1F 426720279 LTBHRWQJBKLNFF-QGZVFWFLSA-N 425.338 4.020 5 20 IIBD COc1ccc([C@@H](CC(=O)O)NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1OC 426807839 PLEQDNAVKVULTN-QGZVFWFLSA-N 426.425 4.178 5 20 IIBD COCCN(Cc1cc(Br)cs1)C(=O)CSc1ccc([N+](=O)[O-])cc1 427729686 ZUCIGYVXFBGERV-UHFFFAOYSA-N 445.360 4.186 5 20 IIBD Cc1c(NCc2noc([C@H]3COc4ccccc4O3)n2)cc(Br)cc1[N+](=O)[O-] 429796809 QPTLVIIHSPLZFR-MRXNPFEDSA-N 447.245 4.173 5 20 IIBD CCOc1cc2c(cc1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])O[C@H](C)C2 429809525 NIIZIMZEARQFFQ-LLVKDONJSA-N 435.274 4.009 5 20 IIBD CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCCn1cc([N+](=O)[O-])cn1 430822200 OFPMSNNFKCCIFR-UHFFFAOYSA-N 438.271 4.136 5 20 IIBD COc1cc(C)ccc1-c1noc(-c2ccc([N+](=O)[O-])cc2I)n1 432542300 OAQSPOMVXWKGTB-UHFFFAOYSA-N 437.193 4.233 5 20 IIBD C[C@@H](Nc1ccc(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)cc1Cl)c1ccccc1 439080657 YMGMFNCHJCUMPA-CQSZACIVSA-N 426.860 4.222 5 20 IIBD Cc1ncsc1CN(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 439526628 IIZGAEMUYVHNLP-UHFFFAOYSA-N 448.551 4.170 5 20 IIBD Cc1c(NC(=O)[C@@H](C)NCc2ccccc2CN(C)Cc2ccco2)cccc1[N+](=O)[O-] 439598869 RGARJMOEMNJNAJ-GOSISDBHSA-N 436.512 4.245 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 439763288 HLZKUHOAXJQQTM-GOSISDBHSA-N 431.464 4.365 5 20 IIBD CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 440537652 PVTSPOCAIXKODD-PKOBYXMFSA-N 445.947 4.386 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)C[C@@H](O)COc1ccccc1C(F)(F)F 443952549 NUUNGGMLXOLMNF-CQSZACIVSA-N 441.406 4.134 5 20 IIBD Cc1ccc(-n2nc(C)c(NC(=O)CNc3cc([N+](=O)[O-])ccc3OC(F)F)c2C)cc1 444418641 KZLHISDNATXNQW-UHFFFAOYSA-N 445.426 4.358 5 20 IIBD Cc1ccc(C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1NC(=O)Nc1ccccc1 444641501 VGETWHLECXVVCY-UHFFFAOYSA-N 444.451 4.354 5 20 IIBD Cc1cc(CN(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)CC(C)C)nc(N2CCCCC2)n1 444666934 BQNSVLPIZLDDAU-UHFFFAOYSA-N 437.548 4.218 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[C@H](c4ncc(C(F)(F)F)[nH]4)C3)o2)c1 444800696 KDYBYOYDACEADS-AWEZNQCLSA-N 435.406 4.414 5 20 IIBD COc1nc(C)c(Br)cc1-c1noc(-c2c[nH]c3cc([N+](=O)[O-])ccc23)n1 446014029 VVACHDZVLNENGU-UHFFFAOYSA-N 430.218 4.268 5 20 IIBD Cc1ccccc1[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@@H](C)CO1 446039057 JLPSBPCGWWDILE-LIRRHRJNSA-N 433.302 4.197 5 20 IIBD CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 446717676 DIMYRWUUFPNIMD-INIZCTEOSA-N 428.489 4.081 5 20 IIBD C[C@@H](c1ccc(F)c(F)c1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 446945220 CYPDYESNZNXSJA-VIFPVBQESA-N 435.246 4.017 5 20 IIBD CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 446961509 ZKBWAVGLUKONSK-UHFFFAOYSA-N 442.337 4.453 5 20 IIBD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCC2CCN(Cc3ccccc3Cl)CC2)n1 447525814 AASMPSFFZJZXEX-LEWJYISDSA-N 431.968 4.430 5 20 IIBD CCOC(=O)c1c(-c2ccco2)csc1NC(=O)CSc1ccc([N+](=O)[O-])cn1 448041833 HACGVCGZGDIQEB-UHFFFAOYSA-N 433.467 4.219 5 20 IIBD O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 448451469 YIFKIRUXIJYQGW-NZQKXSOJSA-N 434.540 4.296 5 20 IIBD O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 460645318 GVEJMGAYUKHKHZ-MRXNPFEDSA-N 427.354 4.332 5 20 IIBD CC[C@@H](NC(=O)c1cc(C(=O)N[C@H](CC)c2ccncc2)cc([N+](=O)[O-])c1)c1ccncc1 461025074 VDYPPEJNUYIXIE-FGZHOGPDSA-N 447.495 4.147 5 20 IIBD Cc1cc(=O)cc(C)n1CCCC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 463293662 LWLACCCZJPGMGN-UHFFFAOYSA-N 433.464 4.023 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@](CO)(c3ccccc3)C2)cc1OC 463364225 CRHZFQDJWZKYEH-HOYKHHGWSA-N 428.529 4.164 5 20 IIBD O=C(NCc1ccnc(OCc2ccccc2)c1)NCc1ccc([N+](=O)[O-])cc1Cl 466574649 CQCXZZWKBPQVOD-UHFFFAOYSA-N 426.860 4.222 5 20 IIBD Cc1sc(S(=O)(=O)N2CCC[C@H](COc3ccccc3Cl)C2)cc1[N+](=O)[O-] 467048011 TXSHEKRFYMRHFL-ZDUSSCGKSA-N 430.935 4.098 5 20 IIBD CN(CCc1ccc([N+](=O)[O-])cc1)Cc1cccc(Br)c1OCC(C)(C)O 467272426 CFYFLIFOWQHHTO-UHFFFAOYSA-N 437.334 4.182 5 20 IIBD O=C(NCc1nncn1C1CC1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 467510555 HJPUKXMOEAZPCZ-UHFFFAOYSA-N 429.889 4.256 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2 468095426 DKIRCNOUDYFAAV-SFHVURJKSA-N 436.537 4.366 5 20 IIBD Cc1ccc(CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(-n2cc(Cl)cn2)n1 468676755 MMMYROMHNZRZTR-CQSZACIVSA-N 428.880 4.006 5 20 IIBD COC(=O)[C@H]1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@@H]1C 476781290 VLIZDJCXUIIWFB-GUYCJALGSA-N 432.860 4.312 5 20 IIBD C[C@@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(C)(C)CN(C)C 478316460 SQCIRQIATONSKX-GOSISDBHSA-N 449.555 4.083 5 20 IIBD Cc1c(CN[C@H](C)c2nnn(-c3cccc(Br)c3)c2C)cccc1[N+](=O)[O-] 478487087 HIZYIBPBULDDBO-CYBMUJFWSA-N 430.306 4.406 5 20 IIBD CCCCn1ccnc1-c1cccc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c1 478621773 LAIINRLWZIRMHX-UHFFFAOYSA-N 435.484 4.017 5 20 IIBD COc1cc(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2C)cc([N+](=O)[O-])c1C 479819892 RXOAQEJEWDMREF-OAHLLOKOSA-N 425.485 4.487 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2nnc3n2CCCC3)CC1 479846538 CQOJJUCPOMRCDH-UHFFFAOYSA-N 429.546 4.045 5 20 IIBD COc1cc(CN(C(=O)NCc2cccc([N+](=O)[O-])c2C)C2CC2)ccc1OC(F)F 480061691 NFILOTMNWFXKAN-UHFFFAOYSA-N 435.427 4.387 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C 481982788 QUYQLPJJJVSVBT-CQSZACIVSA-N 445.541 4.193 5 20 IIBD O=C(CCCOc1ccc2c(c1)OCO2)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 482143828 OTLWGDRPRFWEDW-UHFFFAOYSA-N 440.374 4.074 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2I)cc1SC 482316832 KPMDEBJNRVZCAR-UHFFFAOYSA-N 444.250 4.182 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCCc2ccc(-n3nc(C)cc3C)cc2)cc1SC 482960298 HIWMEVUIHDSHAM-UHFFFAOYSA-N 440.525 4.100 5 20 IIBD CN1CCC[C@@H]2CN([C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c3ccccc3)CC[C@H]21 483486576 PIXHHNDKCHFUQX-ZPMCFJSWSA-N 442.947 4.344 5 20 IIBD CC[C@H](CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Oc1ccccc1F 484011537 UHQJCVMJQARGGE-QGZVFWFLSA-N 431.464 4.144 5 20 IIBD COc1cccc(C2(NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)CCOCC2)c1F 487789853 YNXRZFOYWLOBMB-CQSZACIVSA-N 434.489 4.045 5 20 IIBD C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 488781850 IODFFSOGSGZALO-NSHDSACASA-N 445.829 4.128 5 20 IIBD C[C@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 489947238 RZCGVKKYKMWCOG-IFXJQAMLSA-N 437.418 4.328 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 491084080 JLEUGCFSKMNFBZ-GOSISDBHSA-N 443.569 4.070 5 20 IIBD O=C(NC[C@H]1CCN(c2ccccc2)C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 494290444 LWJBHMYIMCBTEB-HXUWFJFHSA-N 431.492 4.430 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc([S@@](C)=O)c(F)c3)cc2[N+](=O)[O-])C1 495334269 VKAHBULWYRUWJJ-PWRODJMOSA-N 433.505 4.206 5 20 IIBD C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 497355084 QPCCBNIDMXAXCU-GJZGRUSLSA-N 433.455 4.083 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 498305390 WMXGVXPYTRUQFI-QMMMGPOBSA-N 438.328 4.480 5 20 IIBD COc1ccc([C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)c2ccccc2OC)cc1 502485306 JGUCMCDISJYBLU-QHCPKHFHSA-N 435.480 4.243 5 20 IIBD CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 517559583 GUPDWIIGYYONEI-UHFFFAOYSA-N 433.745 4.117 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)cc1C 518703011 CQFMOUQEXNFDFS-UHFFFAOYSA-N 428.514 4.381 5 20 IIBD O=C(NCC1(N2CCCCC2)CCOCC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 521913967 NVYQFSPFBZOUBD-UHFFFAOYSA-N 438.528 4.103 5 20 IIBD O=C(Nc1cc(-n2cnnn2)ccc1Cl)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 524145747 NMGICDBIGLPQNP-UHFFFAOYSA-N 435.831 4.220 5 20 IIBD Cn1c(-c2cccc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)c2)nc2ccccc21 525236147 ANDFGBSSJQVBLC-UHFFFAOYSA-N 430.420 4.172 5 20 IIBD Cc1ccc(C(=O)N[C@H](C)c2ccccc2NS(=O)(=O)c2cccs2)cc1[N+](=O)[O-] 533150761 NYNVGMUUKZPOIB-CQSZACIVSA-N 445.522 4.257 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1OC(F)F 536669994 GEQXUMFQKYZZGZ-KRWDZBQOSA-N 435.427 4.116 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1cc(F)c(Br)c(F)c1 537039261 JCQSDQDJXIYAJG-QMMMGPOBSA-N 430.205 4.083 5 20 IIBD CCCCOc1ccc([C@@H](C)Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1OC 537640665 FGKGMJYCNJFJQT-GFCCVEGCSA-N 428.532 4.420 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])N(c1ccccc1)c1ncccc1Br 540273635 SLVCHLVZDYNFQY-UHFFFAOYSA-N 428.242 4.496 5 20 IIBD C[C@@H](NC(=O)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)c1ccc(Br)cc1 540345372 KDMNCGWFSBHMHT-SNVBAGLBSA-N 437.681 4.238 5 20 IIBD Cn1cc(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 541242966 JKMYPQTWNGHINX-KRWDZBQOSA-N 434.422 4.048 5 20 IIBD C[C@@H](C(=O)Nc1ccccc1-n1cc(Br)cn1)c1ccc([N+](=O)[O-])cc1F 543467499 IFGLNXLYHBCWDK-LLVKDONJSA-N 433.237 4.424 5 20 IIBD COc1ccc2oc([C@@H](C)N[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)c(C)c2c1 544482009 JMLKSXSVISSNDF-KGLIPLIRSA-N 427.457 4.344 5 20 IIBD CC[C@H]1CN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])CCN1Cc1ccccc1 544768547 KIZAYBCWCVOWRP-KRWDZBQOSA-N 429.542 4.062 5 20 IIBD O=[N+]([O-])c1ccc2[nH]nc(-c3nc(-c4cc(Cl)ccc4O[C@H]4CCOC4)no3)c2c1 545072167 BSONXXQKHMSARO-LBPRGKRZSA-N 427.804 4.009 5 20 IIBD CN(Cc1ccccc1)CC1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 546568219 HDCCGBAACJBVDY-UHFFFAOYSA-N 427.520 4.382 5 20 IIBD Cc1cc(Cc2noc(-c3ccc(S(=O)(=O)c4ccccc4)s3)n2)ccc1[N+](=O)[O-] 547194931 NVJBMQWFLYODJY-UHFFFAOYSA-N 441.490 4.438 5 20 IIBD COC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1C 547350968 NDHBSZASDGASSU-JTQLQIEISA-N 427.240 4.403 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1ccc(SC2CCCC2)cc1 549747210 PKYPXHIVZITQAA-UHFFFAOYSA-N 427.526 4.269 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(Cc1ccccc1)C1CCN(C)CC1 550679659 PCMUMOWSRFLPCU-UHFFFAOYSA-N 446.345 4.402 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccc3ccn(C)c(=O)c3c2)cc1[N+](=O)[O-])c1ccccn1 552805664 NBUYWFFRUQPTDS-OAHLLOKOSA-N 443.463 4.267 5 20 IIBD COc1cccc(CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])c1OC1CCCC1 553520047 FILQKSYXZCCNIG-UHFFFAOYSA-N 427.501 4.309 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3F)C2)cc1[N+](=O)[O-])c1ccccn1 553623196 OLLPBBKXTMJGIE-FUHWJXTLSA-N 449.486 4.311 5 20 IIBD Cc1cc(NCc2cccc(N3CCCS3(=O)=O)c2)c([N+](=O)[O-])cc1C(F)(F)F 555192675 LAXCEENIWCKLDW-UHFFFAOYSA-N 429.420 4.074 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c(Cl)c1 558037797 JRJSNVAPZLNOLZ-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 563269163 SLXYWIDUQCYBPK-QHCPKHFHSA-N 425.554 4.445 5 20 IIBD COc1ccc(NC(=O)N2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)cc1[N+](=O)[O-] 564164323 FCTJRVNMRSUAMV-KRWDZBQOSA-N 441.362 4.107 5 20 IIBD Cn1c(=O)c(CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc2ccccc21 565674282 HDQLHFIGTFVNIS-UHFFFAOYSA-N 428.448 4.120 5 20 IIBD Cc1nc(-c2cccc(-c3noc(-c4ccc(S(C)(=O)=O)c([N+](=O)[O-])c4)n3)c2)cs1 569035178 PJGLHTGLUNNHKF-UHFFFAOYSA-N 442.478 4.147 5 20 IIBD CCN(CC)CCCC1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 569262286 GTASKAPZVZVMRF-INIZCTEOSA-N 425.957 4.376 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)NC1(Cc2ccc(F)cc2Cl)CCOCC1 576899578 PEKBTRWBZUERQH-UHFFFAOYSA-N 438.908 4.388 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@@H]3c3ccc(Br)cn3)n2)c1 582680396 OXIYBKDZAFZRQG-MRXNPFEDSA-N 430.262 4.139 5 20 IIBD O=C(Cc1noc(-c2cc(Cl)cc(C(F)(F)F)c2)n1)NCc1ccc([N+](=O)[O-])cc1 583590755 IHTDQKJNWAXLRS-UHFFFAOYSA-N 440.765 4.176 5 20 IIBD CCCOc1ccc(-c2nc(-c3c([N+](=O)[O-])nc(C)n3C)no2)c(OC2CCCC2)c1 589149754 HHWDAMKECKCJFF-UHFFFAOYSA-N 427.461 4.464 5 20 IIBD CCc1ccc(C(=O)Nc2ccc(Oc3ccnc(C(=O)NC)c3)c(F)c2)cc1[N+](=O)[O-] 589482356 YYSILBJVSMQZFK-UHFFFAOYSA-N 438.415 4.096 5 20 IIBD O=[N+]([O-])c1cc2c(c(CS(=O)(=O)Cc3ccc(-c4ccccc4)cc3)c1)OCOC2 603662213 TZVPZIMJSHUJOE-UHFFFAOYSA-N 425.462 4.243 5 20 IIBD O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 604082517 DSTKJJRRBVLHQM-UHFFFAOYSA-N 438.271 4.179 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCCN2CCCc3ccccc32)cc1[N+](=O)[O-])c1ccccn1 604336847 ADBCYBYFMBCQHX-GOSISDBHSA-N 445.523 4.346 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 604466733 ZGAGETMMDPEXPD-KBPBESRZSA-N 438.311 4.312 5 20 IIBD CC[C@H](C)Oc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 608806877 WPYOQRTVLAMLPM-KKSFZXQISA-N 425.485 4.324 5 20 IIBD Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 609060104 WLOCCOSOJHCUIX-JOCHJYFZSA-N 442.479 4.463 5 20 IIBD COc1ccc(S(=O)(=O)Nc2nc3ccccc3n2C2CCCCC2)c([N+](=O)[O-])c1 609322022 SHNHLLMJSMLJME-UHFFFAOYSA-N 430.486 4.259 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nc(-c2cccc(Cl)c2)no1 609686809 GOQSDCVGZMXBCX-UHFFFAOYSA-N 429.864 4.418 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1cccc(N2CCCCCC2)c1 610120973 BIEBNTRCMHDGCT-UHFFFAOYSA-N 438.484 4.302 5 20 IIBD Cc1ccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1OCC1CCOCC1 610155481 QVDSSIOYNADLTJ-UHFFFAOYSA-N 436.468 4.147 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3c4ccccc4N(C)CC[C@@H]3C)cc2)c(C)c1[N+](=O)[O-] 610209381 VMWOBXCTDAIFPF-INIZCTEOSA-N 433.512 4.332 5 20 IIBD O=C(Nc1cccc(-c2nc(=O)o[nH]2)c1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 612469256 JXUMTKUCLJNTAW-UHFFFAOYSA-N 440.481 4.473 5 20 IIBD CC(C)S(=O)(=O)Cc1ccc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cc1 612534488 OEPAQMPHYUCVCO-UHFFFAOYSA-N 430.404 4.189 5 20 IIBD C[C@H](C(=O)Nc1ccc(NC(=O)c2cc3ccccc3c3cccnc23)cc1)n1cncn1 643160320 KPTNADWSYOWAPJ-MRXNPFEDSA-N 436.475 4.432 5 20 IIBD CCCN(CC)c1ccc(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cn1 725968190 QIXVFRRLPAQBMR-CQSZACIVSA-N 425.445 4.194 5 20 IIBD Cc1nn(CCC(=O)O[C@H](C)c2ccccc2NC(=O)c2ccccc2)c(C)c1[N+](=O)[O-] 726735787 PNUSRUDIRLXKAB-QGZVFWFLSA-N 436.468 4.355 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)ccc1Cl 726929955 KIHWSSDTIBLNBP-UHFFFAOYSA-N 448.766 4.118 5 20 IIBD CC(=O)c1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cc1 727472461 LOZHWEKPSGGAIP-UHFFFAOYSA-N 436.390 4.170 5 20 IIBD COc1ccc(CC(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2C)cc1[N+](=O)[O-] 727665174 IVEABSQWSGDQFI-UHFFFAOYSA-N 425.485 4.156 5 20 IIBD O=C(CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)NCC(=O)NCC(F)(F)F 727767645 JCKKPKNCCWVJJN-UHFFFAOYSA-N 440.421 4.342 5 20 IIBD C[C@H](NC(=O)Nc1cccc(OCCNC(=O)OC(C)(C)C)c1)c1cccc([N+](=O)[O-])c1 728395721 ZYHYUTMUANKAJC-HNNXBMFYSA-N 444.488 4.381 5 20 IIBD C[C@@H](OC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 730744966 TXIRFMAYKOANML-MRXNPFEDSA-N 425.462 4.487 5 20 IIBD Cc1ccc(NC(=O)Cc2nc(COC(=O)c3cc(F)cc([N+](=O)[O-])c3)cs2)cc1 731527927 OPHHIHMIVOMRJC-UHFFFAOYSA-N 429.429 4.037 5 20 IIBD O=Cc1ccc(OCC(=O)Nc2ccc(OCc3cccnc3)c(Cl)c2)c([N+](=O)[O-])c1 731607425 IDZDLPMVWMUTAI-UHFFFAOYSA-N 441.827 4.052 5 20 IIBD O=C(Nc1ccccc1C(=O)OCc1nc(C2CC2)no1)c1ccc([N+](=O)[O-])cc1Cl 733417053 QILUAECDSKAPBL-UHFFFAOYSA-N 442.815 4.118 5 20 IIBD C[C@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1ccc(OC(F)F)cc1 734725081 CSJVRMXTMJJHDF-FZMZJTMJSA-N 440.424 4.167 5 20 IIBD Cc1sc2nc([C@@H](C)OC(=O)c3cc(O)nc4ccc([N+](=O)[O-])cc34)nc(O)c2c1C 735352820 OSMNNINXSZSATH-SECBINFHSA-N 440.437 4.094 5 20 IIBD CCOc1ccc(SCC(=O)OC2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)cc1 739367935 ADACUXKXSATUDZ-UHFFFAOYSA-N 446.525 4.306 5 20 IIBD CC(C)(C(=O)OCC(=O)Nc1ccc(N2CCCCCC2)cc1)c1ccc([N+](=O)[O-])cc1 740391511 MCIXJKWZBRRWJN-UHFFFAOYSA-N 439.512 4.435 5 20 IIBD C[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)no1 742936172 ODHCPGOGXCAHFG-NSHDSACASA-N 427.848 4.364 5 20 IIBD CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])c1 745171177 COALJEKNRKCEQM-UHFFFAOYSA-N 433.848 4.028 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)cccc1[N+](=O)[O-] 747522652 CWLXLPGRLWUVTP-APHBMKBZSA-N 447.285 4.340 5 20 IIBD C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(N2CCCC2=O)cc1 747652528 OQUJXOPZCVOUBT-CQSZACIVSA-N 436.493 4.336 5 20 IIBD C[C@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 747958665 RTGTVYVEFWZMQL-XJIUQZFPSA-N 431.514 4.205 5 20 IIBD C[C@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)Nc1cc(F)ccc1F 747962364 NSNMXHVXRGLKMF-JTQLQIEISA-N 433.392 4.181 5 20 IIBD Cc1c(CC(=O)OCC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] 748477479 XQOGLEGUPURFQH-GFCCVEGCSA-N 425.268 4.173 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Oc1ccccc1Oc1ccccn1 748678247 LDBRPEBAQIJKKO-UHFFFAOYSA-N 435.392 4.076 5 20 IIBD C[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)Oc1ccccc1F 749435850 JGGBWFADPHPKMO-SECBINFHSA-N 431.645 4.347 5 20 IIBD CCOCCO[C@H]1CCN([C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C1 750262247 KXTAIQALWJREKG-GHTZIAJQSA-N 447.919 4.055 5 20 IIBD O=C(NC1(c2ccc3c(c2)OCO3)CC1)c1cc(Br)cc([N+](=O)[O-])c1Cl 750922633 JQVYVCVVVZRJNA-UHFFFAOYSA-N 439.649 4.159 5 20 IIBD O=C(Nc1cccc(Cl)c1N1CCOCC1)c1cc([N+](=O)[O-])ccc1Br 751073969 YWVBAGLUQLGVFZ-UHFFFAOYSA-N 440.681 4.100 5 20 IIBD O=C(OCc1coc(-c2c(F)cccc2F)n1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 751694241 SFDHKIYOVVZMCB-UHFFFAOYSA-N 426.335 4.071 5 20 IIBD C[C@H](OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)c(C(F)(F)F)c1 754370270 DYVRDELMAAPZKQ-NSHDSACASA-N 428.338 4.177 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC(CN2CCCCCC2)CC1 755029055 KNVXULUNBQZBSY-UHFFFAOYSA-N 439.354 4.477 5 20 IIBD Cc1cc(C)n(-c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Br)cc2)n1 755106766 SKMNKVIFKGSISI-UHFFFAOYSA-N 429.274 4.341 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 759214031 NAFADMILVJDQNG-QGZVFWFLSA-N 447.532 4.002 5 20 IIBD COc1ccc(C(=O)C(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])cc1Cl 760639953 WYZAZMMALHNHFU-HXUWFJFHSA-N 426.812 4.167 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCC[C@@H](O)c1ccc(Cl)c(Cl)c1 760702497 TYKYTNJMRYGFEI-GOSISDBHSA-N 426.300 4.334 5 20 IIBD O=C(NC1CCC(F)(F)CC1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 761775342 GRWSFCNAGOMXOZ-UHFFFAOYSA-N 436.381 4.023 5 20 IIBD COc1ccc(CC(=O)N(c2ccc(N(C)C)cc2)[C@@H](C)c2ccccn2)cc1[N+](=O)[O-] 766585672 KJOCRDPIAAAMSF-KRWDZBQOSA-N 434.496 4.401 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1cccnc1 768406180 DSKYUNKNWXZXRH-NSHDSACASA-N 432.893 4.041 5 20 IIBD O=C(COC(=O)c1ccc(Cl)nc1C(F)(F)F)Nc1cc([N+](=O)[O-])ccc1Cl 769214327 YIPHAWAGKNACOW-UHFFFAOYSA-N 438.145 4.111 5 20 IIBD O=C(COC(=O)c1ccc(Br)c(Cl)c1F)Nc1cc([N+](=O)[O-])ccc1F 769527186 UUBKSLLPVCCFMM-UHFFFAOYSA-N 449.591 4.084 5 20 IIBD O=C(NC1CCC(O)(c2cccnc2)CC1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 770049584 OFDYTVHOZGKDOV-UHFFFAOYSA-N 446.507 4.162 5 20 IIBD Cc1csc(Sc2ccc(C(=O)O[C@H](C(F)F)[C@H]3CCCO3)cc2[N+](=O)[O-])n1 774454290 WDNSTIHXCHUJGQ-OCCSQVGLSA-N 430.454 4.480 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C 775089535 FUNWKRNCJPUQKM-UHFFFAOYSA-N 433.442 4.107 5 20 IIBD Cc1cccc(C(=O)O[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c1[N+](=O)[O-] 776355950 XWXQOJLNEJJXKR-QGZVFWFLSA-N 436.386 4.270 5 20 IIBD O=C(OCc1ccc(OCCC(F)(F)F)cc1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 776382035 HWZBPNBDGSIWFF-SFHVURJKSA-N 438.358 4.162 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCc2ncc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2C1 777007606 OAHQVCQAKKNVSL-CEUCYRDJSA-N 438.484 4.024 5 20 IIBD CC(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c(F)c1 777200266 IBWPOTPBEQKDIP-JTQLQIEISA-N 442.321 4.139 5 20 IIBD COc1nc(C)ccc1C(=O)O[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 777227147 PNMHSWTUDGOUAB-HXUWFJFHSA-N 435.436 4.152 5 20 IIBD COc1cc(C(=O)OCc2c(F)cccc2F)c([N+](=O)[O-])cc1OCc1cscn1 779262725 YGNXGVBCTQTDPI-UHFFFAOYSA-N 436.392 4.274 5 20 IIBD C[C@H](OC(=O)c1cc(I)cc([N+](=O)[O-])c1)c1nc(C2CC2)cs1 781175038 KBORQARQIRETRE-QMMMGPOBSA-N 444.250 4.451 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cccc(-c2ccc3c(c2)CCO3)n1 781633039 OKSPTHGCQNAJNY-UHFFFAOYSA-N 434.408 4.071 5 20 IIBD CC(C)OC(=O)c1ccc(Cl)c(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 781642782 VCCAXCBBNXNULN-UHFFFAOYSA-N 435.820 4.293 5 20 IIBD Cc1sc(NC(=O)COC(=O)c2cccc([N+](=O)[O-])c2Br)c(C)c1C 781676870 ZNXXBNXKBOJCFY-UHFFFAOYSA-N 427.276 4.140 5 20 IIBD O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781730464 UCXWNGIFQKOPBW-RTWAWAEBSA-N 436.855 4.042 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](OC(=O)[C@H](O)C1CCCCC1)c1ccccc1 782373006 WETFMCMAUIXFIJ-UXHICEINSA-N 446.887 4.412 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)no1)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F 782487640 KPSLCKZMMXPBNJ-UHFFFAOYSA-N 444.438 4.421 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Br)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 782540143 ZHTXLNRCKWUDBZ-LLVKDONJSA-N 447.211 4.050 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)OCC[C@H]2COC(C)(C)O2)cc1[N+](=O)[O-] 783410234 WFYNPQCOUVKGKT-HNNXBMFYSA-N 445.493 4.246 5 20 IIBD O=C1/C(=C\c2ccc([N+](=O)[O-])cc2Cl)NC(=S)N1c1ccc(OC(F)(F)F)cc1 783689868 XZIYBSZSIBATLQ-VGOFMYFVSA-N 443.790 4.409 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N[C@@H]1CCN(c2cccc(Br)c2)C1 784629042 UWEGHLJITCEHCV-CQSZACIVSA-N 447.289 4.005 5 20 IIBD Cc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 786785885 GNHUSZRYJIDGLU-CYBMUJFWSA-N 443.843 4.054 5 20 IIBD CC[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 787808579 IAMMPRBTWRDAOE-AWEZNQCLSA-N 440.241 4.209 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)S(=O)(=O)c1ccc(C(F)(F)F)cc1 788516620 USBVOULKYMJITN-SECBINFHSA-N 436.795 4.068 5 20 IIBD C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(C(F)(F)F)cc1 788516638 VJVBMAPNZOTWQI-VIFPVBQESA-N 436.795 4.068 5 20 IIBD COC[C@H](C)n1c(C)cc(C(=O)COc2cc(F)c(Br)cc2[N+](=O)[O-])c1C 790291453 BGEFHZXVAKNUDU-NSHDSACASA-N 443.269 4.384 5 20 IIBD CN(Cc1ccc(Br)cc1Cl)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 790468767 WJESSXUQOHTFPQ-UHFFFAOYSA-N 426.654 4.008 5 20 IIBD CCOC(=O)Nc1nc2ccc(NC(=O)c3cc(OC)c(C)c([N+](=O)[O-])c3)cc2s1 790537712 WWOHTYGUTCTXTG-UHFFFAOYSA-N 430.442 4.342 5 20 IIBD O=C(c1cncnc1-c1ccccc1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791248155 KHCGKIVDRLHBPM-UHFFFAOYSA-N 439.269 4.013 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Oc1ccc(NC(=O)c2ccccc2OC)cc1 791456121 CCVULLDIBPABQJ-UHFFFAOYSA-N 436.420 4.474 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)cc1[N+](=O)[O-] 793019546 SCKCYGCMKNPGCJ-QAPCUYQASA-N 445.541 4.007 5 20 IIBD Cc1c(C(=O)OCc2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)nnn1Cc1ccncc1 797115251 NWJRWNUHXMULCG-UHFFFAOYSA-N 445.435 4.087 5 20 IIBD O=C(NC[C@H]1CCCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1)OCc1ccccc1 797220427 WIBUDHYQCDDADO-MRXNPFEDSA-N 431.876 4.027 5 20 IIBD Cc1cc(NC(=O)c2cccnc2)ccc1OC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 799469164 XGXKNFFYEFPLAY-UHFFFAOYSA-N 443.362 4.371 5 20 IIBD CCCc1noc2nc(CC)cc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c12 800324318 TVFFMYOURALFAT-UHFFFAOYSA-N 446.847 4.095 5 20 IIBD COc1cc(N2CCC(OC(=O)C3(c4cccnc4)CCCC3)CC2)ccc1[N+](=O)[O-] 808987980 NOZCLTMSFMOEGG-UHFFFAOYSA-N 425.485 4.022 5 20 IIBD Cc1cc(C)c(NC(=O)Cc2noc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)n2)c(C)c1 809462459 XAHWOXBNOYFCED-UHFFFAOYSA-N 435.484 4.351 5 20 IIBD CN(Cc1nc(-c2ccc([N+](=O)[O-])s2)no1)c1cc(Br)ccc1[N+](=O)[O-] 809469466 YHHDRCYSIIUEIS-UHFFFAOYSA-N 440.235 4.013 5 20 IIBD COC(=O)c1ccc(CCC(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 811217946 IBVHZNYAKIVXAI-UHFFFAOYSA-N 426.450 4.181 5 20 IIBD O=C(Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1)c1snnc1C1CC1 812829352 SFXYYHSPKZEUKL-UHFFFAOYSA-N 435.417 4.316 5 20 IIBD CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](COC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 813159081 XEDHAQOQELBBHH-WUKHSURWSA-N 426.416 4.044 5 20 IIBD Cc1cc(Cl)c(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1[N+](=O)[O-] 815406787 VOBRBDVWHVHULF-VIFPVBQESA-N 442.211 4.302 5 20 IIBD O=C(Nc1ccc2oc(CN3CCCC3)nc2c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 816766123 KERWHCRLUYFSBU-UHFFFAOYSA-N 449.511 4.187 5 20 IIBD C[C@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 827005626 GRWALGYZQLMXMD-GOEBONIOSA-N 442.566 4.076 5 20 IIBD C[C@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1cc2ccccc2o1 852584114 IGBFIVRKKNAYMY-KBPBESRZSA-N 428.466 4.242 5 20 IIBD Cn1c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc(Cl)c1Cl 914907974 MWBCYYQZUCRLEQ-UHFFFAOYSA-N 440.161 4.054 5 20 IIBD O=C([C@H]1CC1(Cl)Cl)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 916419624 NPIBESQAXAHWFC-OAHLLOKOSA-N 440.352 4.161 5 20 IIBD C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 917304202 ZGRDSVIIZAEDGW-AWEZNQCLSA-N 425.441 4.453 5 20 IIBD O=C(OCc1nc(-c2cccc(Br)c2)no1)c1cc2cccc([N+](=O)[O-])c2[nH]1 917331095 HSBRUFGPLGUMLU-UHFFFAOYSA-N 443.213 4.246 5 20 IIBD Cc1ccc(C2=CCN(S(=O)(=O)c3ccc([N+](=O)[O-])c(Br)c3)CC2)cc1 917864283 CGYHJJWMUWPIEY-UHFFFAOYSA-N 437.315 4.144 5 20 IIBD C[C@H](c1cc(F)ccc1F)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 917916365 KDTZDZVKLQQICP-SECBINFHSA-N 435.246 4.017 5 20 IIBD COc1ccc(COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(Br)c1OC 917968971 NKPPIVCOYSFJNK-UHFFFAOYSA-N 430.638 4.385 5 20 IIBD C[C@H](NC(=O)CCCCCn1c(S)nc2ccccc2c1=O)c1cccc([N+](=O)[O-])c1 918134651 BKGVZHFCLHGAJE-HNNXBMFYSA-N 440.525 4.031 5 20 IIBD C[C@H](OC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1)c1cccc([N+](=O)[O-])c1 919437166 GHOXOYNBOHTMSK-OYHNWAKOSA-N 432.432 4.455 5 20 IIBD CCSc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)ccn1 920557698 SVZIRRVXQYQWBO-JTQLQIEISA-N 443.403 4.305 5 20 IIBD Cc1cc(C)c(NC(=O)COC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c(Cl)c1 920778090 PSJQDLPRDMVHKZ-LBPRGKRZSA-N 441.267 4.468 5 20 IIBD Cc1cc(C(=O)OCC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)cc([N+](=O)[O-])c1 920902376 GZCKLZOMXTYDAS-HXUWFJFHSA-N 428.441 4.166 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3sccc3C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 921015623 WGJGTWZJVCXGNA-UHFFFAOYSA-N 428.514 4.037 5 20 IIBD CCCN(Cc1ccccc1Br)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 921266048 FRRYXKBRTWBFFW-UHFFFAOYSA-N 425.254 4.314 5 20 IIBD C[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 1319560980 XREGZNSWOGYYME-IERDGZPVSA-N 439.512 4.382 5 20 IIBD CC[C@@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCN(C(=O)OC(C)(C)C)C1 1319974100 MLJQOTBDKQGMJR-LJQANCHMSA-N 429.420 4.172 5 20 IIBD CC(C)(C(=O)OCC(=O)c1ccc(Br)s1)c1ccc([N+](=O)[O-])cc1F 1321135963 MPKUYKRZRDWZTN-UHFFFAOYSA-N 430.251 4.262 5 20 IIBD O=C(Nc1ccc(F)cc1)c1ccc(CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc1 1323921411 VBWPPTVSGHUTCR-UHFFFAOYSA-N 434.427 4.212 5 20 IIBD COc1ccc(Cl)cc1CCNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1329992257 VHYQCKUNZJSHBM-UHFFFAOYSA-N 433.892 4.052 5 20 IIBD Cc1nc(C)c(C(=O)NC2(c3ccc(NC(=O)Cc4cccc([N+](=O)[O-])c4)cc3)CCC2)o1 1785793544 GBNGAFMIEPYXRL-UHFFFAOYSA-N 448.479 4.190 5 20 IIBD Cc1nc(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(C)c([N+](=O)[O-])c4)CCC3)cc2)co1 1787394221 IAFDGZACABYWPG-UHFFFAOYSA-N 448.479 4.190 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccccc3o2)[nH]n1)c1ccc([N+](=O)[O-])o1 1814309648 SJHWWEVELRXXFR-OAHLLOKOSA-N 449.423 4.277 5 20 IIBD CCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])n[nH]1 1823503995 YAHFAAFYCNPVQU-JXOMPUQVSA-N 439.516 4.460 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(C)CCC2)CC1 1823709550 IIUYPPWKFBPAPI-LJQANCHMSA-N 443.544 4.032 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC([C@@H]2CCCCN2C(=O)CC2CCC2)CC1 1832833291 KFRPWYTYGZLIDG-NRFANRHFSA-N 431.508 4.157 5 20 IIBD CC(C)[C@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc([N+](=O)[O-])o1)c1ccc(Cl)cc1 1847168454 TUWNDYUBJFPBAR-ZWOKBUDYSA-N 445.903 4.096 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2ccc(SC(F)F)cc2)c([N+](=O)[O-])c1 10764314 AAKUTUUYUDYTLE-UHFFFAOYSA-N 426.397 4.104 5 20 IIBD CCOc1ccc(C(C)=O)cc1COC(=O)Cn1c2ccccc2c(=O)c2ccccc21 11277283 CGEXTLXAEFNYDP-UHFFFAOYSA-N 429.472 4.499 5 20 IIBD COc1cc(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OC(C)C 15033514 SIPOZYNDUFAPAQ-UHFFFAOYSA-N 441.406 4.251 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2oc3ccc(Cl)cc3c2C)c([N+](=O)[O-])c1 18523435 FFYIZLLWIMCJPQ-LLVKDONJSA-N 432.816 4.495 5 20 IIBD CCc1ccc(Cl)c(CC)c1NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O 21896317 XXJOFCRCMZNTCD-UHFFFAOYSA-N 440.887 4.480 5 20 IIBD CCNC(=O)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2-c2cccs2)c1 24441638 YYMVTLPKVYVDRT-UHFFFAOYSA-N 425.466 4.091 5 20 IIBD COCc1c(C(=O)OCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])oc2ccccc12 24983581 UZFPRYSWDPSJLQ-UHFFFAOYSA-N 437.351 4.454 5 20 IIBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 26913430 FCQMGNBPYBJVQK-UHFFFAOYSA-N 435.280 4.001 5 20 IIBD CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COC(=O)CSc1ccccc1[N+](=O)[O-] 27737405 IMHVJZYAAHTJIN-UHFFFAOYSA-N 443.308 4.196 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(Cn3nc(NC4CCCCC4)sc3=S)CC2)cc1 28705490 LSHOICZATJBYBL-UHFFFAOYSA-N 434.591 4.107 5 20 IIBD Cc1ccccc1[C@H](OC[C@H](O)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 59374300 FAWMYPFDUKOENQ-ISKFKSNPSA-N 444.491 4.329 5 20 IIBD CCOc1ccc(CCNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1OCC 64868441 MFBDRVRLPVGLNW-UHFFFAOYSA-N 441.509 4.488 5 20 IIBD Cc1cccn2cc(COc3ccccc3C(=O)N3CCc4ccc([N+](=O)[O-])cc43)nc12 71837539 KBIOQKPTYDGLRU-UHFFFAOYSA-N 428.448 4.333 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(I)cc1Cl 106247339 VNJLBLJKJVBTJR-UHFFFAOYSA-N 445.644 4.171 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)c(N)c(Cl)c2)ccc1[N+](=O)[O-] 110344716 LHABUNHKVFQLON-INIZCTEOSA-N 437.283 4.036 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNCCCOC2CCOCC2)cc1 237999265 MNJDHWLTFANUMQ-UHFFFAOYSA-N 436.512 4.123 5 20 IIBD CCc1cc(N2CCC(NC(=O)c3ccsc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 301116668 VTHJLXRPWUSXBB-UHFFFAOYSA-N 437.525 4.075 5 20 IIBD COc1cc(C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)ccc1[N+](=O)[O-] 303345569 MMJUBQYNKJIGSF-UHFFFAOYSA-N 438.311 4.305 5 20 IIBD COc1ccc(C2(CNC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)CCOCC2)cc1 426010722 OLFWMGIHKRTCJQ-UHFFFAOYSA-N 439.512 4.026 5 20 IIBD O=C(N[C@@H]1CSc2ccc(Br)cc21)N1CCc2ccc([N+](=O)[O-])cc2C1 426859420 PRNZDSIIBWDIMH-MRXNPFEDSA-N 434.315 4.272 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)Cc2ccc(O)c(OC)c2)cc1 427153062 OYFBGPCBSIJEQZ-UHFFFAOYSA-N 438.436 4.382 5 20 IIBD C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 427867154 AVUJAMLJVDLVDT-LSDHHAIUSA-N 433.892 4.493 5 20 IIBD COc1cc(C(=O)N[C@@H]2CCC[C@H]2CCO)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 428823643 OGGICWLGUQALCF-XJKSGUPXSA-N 434.876 4.330 5 20 IIBD COc1cc(N2CCC(c3nc(-c4ccccc4OC)no3)CC2)c([N+](=O)[O-])cc1F 432870979 IZVABEIGAPLPBW-UHFFFAOYSA-N 428.420 4.185 5 20 IIBD Cc1cc(C)c(NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)c(Br)c1 432879977 RDLQXWUIVCEATD-UHFFFAOYSA-N 430.262 4.116 5 20 IIBD Cn1cc(Br)cc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c1=O 434132638 OIHXGJIMSRBRLJ-UHFFFAOYSA-N 444.241 4.101 5 20 IIBD CC1CCN(CCCCNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CC1 435975253 XCYJNHALDRLYEE-UHFFFAOYSA-N 427.495 4.201 5 20 IIBD O=C(NCCOc1ccc(F)c(F)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436434977 XIOHDAHTSIBJID-UHFFFAOYSA-N 430.357 4.047 5 20 IIBD O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 437054984 MOIZZYVGRQNCGF-UHFFFAOYSA-N 441.793 4.397 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(OCc2ccnc(-c3ccc(Br)cc3)n2)c1 440787925 XNRHFMKEMWWXQB-UHFFFAOYSA-N 444.241 4.180 5 20 IIBD Cc1ccnc(Oc2cc(NC(=O)C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)ccc2C)c1 441700576 BMQCWBYAOVQBMX-MRXNPFEDSA-N 434.452 4.215 5 20 IIBD O=C(Nc1ccc(O[C@H]2CCOC2)cc1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444087854 RMYGIGWESTZLQP-INIZCTEOSA-N 436.414 4.380 5 20 IIBD O=C(N[C@H]1COc2ccc(Cl)cc21)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444245601 YKBDGGOGZIHKCA-KRWDZBQOSA-N 426.806 4.476 5 20 IIBD COc1ccc(-c2ccc(CNC(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)cc2)cc1 445135043 KLQMMTRPJNYSAF-UHFFFAOYSA-N 431.452 4.146 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc(-c4ccoc4)no3)cc2)cc1[N+](=O)[O-] 445461595 YGESEOFDCKZYME-UHFFFAOYSA-N 426.410 4.014 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3csc(Cc4cccc(F)c4)n3)n2)c1 445576192 USLRKUMWGCNCBV-UHFFFAOYSA-N 426.429 4.431 5 20 IIBD COc1cc(Cc2noc(-c3ccc(-n4nc(C)cc4C)cc3)n2)c([N+](=O)[O-])c(OC)c1 445822413 RRMVZXCJXFGLTA-UHFFFAOYSA-N 435.440 4.055 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)[C@@H]1CCOc2ccc(Br)cc21 445883495 DLJBWPKMTWZERG-QGZVFWFLSA-N 434.290 4.060 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N[C@@](C)(CO)C2CCCCC2)cc1[N+](=O)[O-])c1ccccn1 460496855 MQTINOAXAGUJFG-MWTRTKDXSA-N 426.517 4.224 5 20 IIBD Cc1ccc(C(=O)N[C@@H](CC(=O)NCCc2ccccc2[N+](=O)[O-])c2ccccc2)cc1 460498203 OYNODVXEFDJOJC-QFIPXVFZSA-N 431.492 4.123 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)CC[C@@H]1c1ccccc1 460638774 GJKBQELKONPYJZ-QAPCUYQASA-N 437.525 4.140 5 20 IIBD Cc1ccc(OC2CCN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])CC2)cc1 462337136 FCAOEERWEZAFRZ-UHFFFAOYSA-N 445.324 4.442 5 20 IIBD O=C(Nc1cc(Cl)c(Cl)cc1F)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 466574402 PHPWIGIMSCBASQ-LBPRGKRZSA-N 432.260 4.346 5 20 IIBD Cc1sc(S(=O)(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)cc1[N+](=O)[O-] 466960988 ZZBFSXQDZWCRRO-MHZLTWQESA-N 436.536 4.073 5 20 IIBD CO[C@@H]1CCOc2c(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])cccc21 468676331 KEWHMBVCXGNDID-MRXNPFEDSA-N 426.347 4.258 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC1(Sc2ccccc2)CCCC1 469065020 VLOBVKDUNVFSKS-QGZVFWFLSA-N 431.562 4.049 5 20 IIBD O=C(NCc1ccc(NC(=O)c2ccc(F)cc2)cc1)Nc1cc(F)cc([N+](=O)[O-])c1 470113140 GKATZWPUPOPNSQ-UHFFFAOYSA-N 426.379 4.447 5 20 IIBD CCOc1cc(NC(=O)N2C[C@H](C)O[C@@H](c3ccsc3)C2)c([N+](=O)[O-])cc1OCC 470793346 PTWFXALJJKCKFM-ORAYPTAESA-N 435.502 4.448 5 20 IIBD COc1cccc([C@@H](NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c2cc(F)ccc2OC)c1 471466561 GUFOQIHCELXOAO-JOCHJYFZSA-N 440.427 4.279 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 472562662 IVRBOSWTCOHCRR-FQEVSTJZSA-N 441.846 4.426 5 20 IIBD Cc1cc(F)c(Br)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 473415909 QYCCUEPOOIJFGB-UHFFFAOYSA-N 440.250 4.154 5 20 IIBD COc1c(C(=O)Nc2cc(-c3cc(F)cc(Br)c3)[nH]n2)cccc1[N+](=O)[O-] 475472788 WZNCXLPYHKFXRY-UHFFFAOYSA-N 435.209 4.147 5 20 IIBD Cn1cnc([N+](=O)[O-])c1CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F 476472500 QFYXEGCQKQAHQM-UHFFFAOYSA-N 428.424 4.147 5 20 IIBD Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)cc1NS(=O)(=O)c1ccccc1 477341637 ZLGZUIFSGCPMPT-UHFFFAOYSA-N 443.456 4.024 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(-c2cccs2)c1 477932195 AYZHIUPRBDICJL-UHFFFAOYSA-N 429.885 4.274 5 20 IIBD CC(C)(C)c1ccc(Oc2ccc(CNC[C@H](CO)[C@@H]3CCOC3)cc2[N+](=O)[O-])cc1 481817810 STMQIDXFMHIERD-RTBURBONSA-N 428.529 4.419 5 20 IIBD CCN1CCN(c2ccc(NC(=O)c3cc(SC)c(OC)cc3[N+](=O)[O-])c(C)c2)CC1 482016282 ODZWKZFJIYYIJY-UHFFFAOYSA-N 444.557 4.028 5 20 IIBD CN(Cc1ccc(F)cc1Br)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 482773646 QDFAHRYSBUUDKA-UHFFFAOYSA-N 433.180 4.370 5 20 IIBD O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 484715281 MEFKGRPBGQAOCI-UHFFFAOYSA-N 426.845 4.205 5 20 IIBD CSc1cccc(C(=O)NC[C@H](C)Oc2ccc(Br)cc2)c1[N+](=O)[O-] 486432550 KXAPUPULMHJAIJ-NSHDSACASA-N 425.304 4.277 5 20 IIBD COc1cc(CN2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)c([N+](=O)[O-])cc1F 486825780 UYBSGKUFCDMWMJ-UZUQRXQVSA-N 438.459 4.346 5 20 IIBD O=C(NCc1cccc(-n2cncn2)c1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 487706331 HAFGFZFWBXLUEX-UHFFFAOYSA-N 431.477 4.257 5 20 IIBD CC(C)(C)S(=O)(=O)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1 488464441 VVTVKASZLPUVMS-UHFFFAOYSA-N 442.440 4.162 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)cc1OC 490135396 IDAUUBDDJCPPPW-UHFFFAOYSA-N 439.424 4.408 5 20 IIBD CCCO[C@@H]1CCCN([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 495034483 CSWAXLNTSLWLGT-MAUKXSAKSA-N 432.546 4.326 5 20 IIBD CCC(C)(C)[C@H]1CCc2nc(NC(=O)C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)sc2C1 498112059 PWUIRJXRDJQOBQ-ZFWWWQNUSA-N 444.557 4.408 5 20 IIBD Cc1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cccc1C(=O)Nc1ccccc1 498425644 XURDLEYQCPNZQR-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD O=C(Nc1nc2ccccc2n1CCc1ccccn1)c1ccc([N+](=O)[O-])c2cccnc12 499837089 CGUOCASIHVKCTN-UHFFFAOYSA-N 438.447 4.383 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)cc([N+](=O)[O-])c1 502147327 SXMBZHDRPRNQJC-ZDUSSCGKSA-N 441.415 4.072 5 20 IIBD O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1 503454253 HCLFBXUVVQZHOS-IBGZPJMESA-N 434.564 4.238 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(-c3cccc(S(=O)(=O)Nc4ccc(F)cc4)c3)n2)c1 505036300 QIRJIFDIEQMESO-UHFFFAOYSA-N 440.412 4.252 5 20 IIBD NC(=O)c1ccc(SCC(=O)N[C@H](CC2CCCC2)c2ccccc2)c([N+](=O)[O-])c1 505296984 CUAXCQBYVRBNDE-GOSISDBHSA-N 427.526 4.224 5 20 IIBD CCOC(=O)c1ccc(F)c(C)c1NC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] 505435177 STCNEJSUDMWWRM-UHFFFAOYSA-N 442.346 4.081 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 506072363 SSKDOAADUFIERI-MHECFPHRSA-N 445.523 4.292 5 20 IIBD COc1cc(C(=O)N(C)Cc2sccc2C)c([N+](=O)[O-])cc1OCc1cscn1 509863255 IXLXFBJGKBKEAR-UHFFFAOYSA-N 433.511 4.281 5 20 IIBD CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 511741329 IDOVPMYGDPZWAI-IBGZPJMESA-N 446.345 4.388 5 20 IIBD Cc1ccc(CN(c2ccc3c(c2)OCCO3)S(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 512606526 OMCBXWRXEDENPT-UHFFFAOYSA-N 446.506 4.131 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2cnc(-c3cccc(O)c3)nc2)cc1[N+](=O)[O-] 512808516 CSIQPAIZWXSOTG-UHFFFAOYSA-N 429.230 4.081 5 20 IIBD COc1cccc(-c2nc(/C=C3\CCn4c3nc3ccc([N+](=O)[O-])cc3c4=O)cs2)c1 514645885 OWWMRAFJSCLCPV-UKTHLTGXSA-N 432.461 4.381 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCc3cn4cccc(C)c4n3)cc2[N+](=O)[O-])n1 517639696 MAFQBUZKAGXSNO-UHFFFAOYSA-N 439.522 4.397 5 20 IIBD Cc1cc(N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c(Br)cc1[N+](=O)[O-] 517792004 YGZBEQNJCWDHPK-LBPRGKRZSA-N 442.335 4.089 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N(C[C@H]1CCOC1)C1CC1 517936323 NECUVSMJXHNIFE-GOSISDBHSA-N 446.507 4.018 5 20 IIBD CCOc1cc2c(cc1NC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)O[C@H](C)C2 519096184 YYGIJYBZCABDRU-CYBMUJFWSA-N 432.498 4.197 5 20 IIBD CC(C)[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1nc(-c2cccnc2)no1 519186009 YKVQSCAEVTVFEP-OAHLLOKOSA-N 448.386 4.160 5 20 IIBD O=C(Nc1c(N2CCCC2)cccc1N1CCCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 521078387 YBVDNSHDFUGIEE-UHFFFAOYSA-N 446.511 4.233 5 20 IIBD C[C@@H](CNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1c(Cl)cccc1Cl 523179459 REEXNQWBFCOUII-JTQLQIEISA-N 442.324 4.013 5 20 IIBD NC(=O)[C@@H]1CCCN1Cc1cccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c1 532897615 WIESYVDUSANKGU-NRFANRHFSA-N 436.537 4.385 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCc2cc(Br)ccc21 533398398 WGGLDXRYHKAUJF-UHFFFAOYSA-N 426.064 4.323 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 538350637 NLKZOEWLMDSIMP-CJNGLKHVSA-N 429.326 4.126 5 20 IIBD COCC1(C)CCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 539135534 XXIFUUIWWKXIQO-UHFFFAOYSA-N 445.903 4.389 5 20 IIBD COc1ccc([C@H](Cc2ccccc2C)NCC(=O)Nc2ccccc2[N+](=O)[O-])cc1OC 539275602 HIAVVIQSWXCSQG-NRFANRHFSA-N 449.507 4.433 5 20 IIBD Cc1nc(N(C)C[C@@H](C)c2nccs2)nc(N(C)C[C@H](C)c2nccs2)c1[N+](=O)[O-] 542258505 VOUBZZVMQNAXBI-QWHCGFSZSA-N 447.590 4.086 5 20 IIBD Cc1cc(Cc2noc([C@@H]3CCCN(c4ncnc5sccc45)C3)n2)ccc1[N+](=O)[O-] 546491459 ZDLIAWPBZLLWPE-OAHLLOKOSA-N 436.497 4.266 5 20 IIBD CCc1c(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])noc1-c1ccc(Cl)s1 546793821 BDLNALMUBQYXSZ-UHFFFAOYSA-N 427.891 4.469 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)cc1[N+](=O)[O-] 551745739 PUJXMNLUKWLUPK-OXJNMPFZSA-N 439.512 4.115 5 20 IIBD CCc1ccc([C@H](CNC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)N(CC)CC)cc1 554451928 LRDYJFULMZGXTE-QFIPXVFZSA-N 436.512 4.224 5 20 IIBD CCCC(=O)Nc1cccc(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 555590727 RUTOGURSPMESRP-UHFFFAOYSA-N 438.406 4.352 5 20 IIBD O=C(NC[C@H]1CCCCC(F)(F)C1)c1ccc([N+](=O)[O-])cc1I 557322244 JXVFAGYKWXUDDL-JTQLQIEISA-N 438.212 4.145 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCc1nc(-c2ccccc2)no1 561227499 FJDUNDXXXFYTJQ-UHFFFAOYSA-N 426.498 4.462 5 20 IIBD C[C@@H](NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1c(F)cncc1F 563829326 DGCSQGVUISGWHS-MRVPVSSYSA-N 442.209 4.252 5 20 IIBD Cc1cc(OCc2nc(Cc3ccc(OCc4ccncc4)cc3)no2)ccc1[N+](=O)[O-] 564228994 VPYGIYGOQNIUHA-UHFFFAOYSA-N 432.436 4.430 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCC(Oc3cncc(Cl)c3)CC2)cc1SC 569510405 ZSMXVOFTHKSFPU-UHFFFAOYSA-N 437.905 4.057 5 20 IIBD COc1cc(C(=O)N[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)c([N+](=O)[O-])cc1OC 569528957 OKHWILKYANLOHP-SFHVURJKSA-N 440.374 4.392 5 20 IIBD Cc1cccc2c1OC[C@@H](NC(=O)c1ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c1)C2 571966532 SDPHVPFAJFMSDA-LPHOPBHVSA-N 432.480 4.205 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccccc1F)c1nccn1C 576961877 HJTBBVWTGYHHBG-KRWDZBQOSA-N 447.264 4.058 5 20 IIBD Cc1ccc(-c2noc([C@H](C)NCCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2)cc1F 578050239 TWBRPNFLTVKBBP-AWEZNQCLSA-N 427.436 4.080 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CN2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)c1 578827908 OEHFVOOMXFTRBK-KZNAEPCWSA-N 444.313 4.105 5 20 IIBD C[C@H]1CC[C@H](c2ccccc2)N(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C1 587989444 QUNOYYFMFLNKAM-MAUKXSAKSA-N 437.525 4.488 5 20 IIBD CCOc1cc(C(=O)Nc2cc(C)nn2-c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC 592946651 UXKDCWCKPGSOJE-UHFFFAOYSA-N 430.848 4.402 5 20 IIBD COc1cc(C(=O)NCc2ccccc2CN2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])cc1OC 603774508 WZDBUGGCEBVQBL-CALCHBBNSA-N 441.528 4.020 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccccc2CN2CCc3ccccc32)cc([N+](=O)[O-])c1 603974629 BWLSEXNULBETKP-UHFFFAOYSA-N 431.448 4.196 5 20 IIBD COc1cc(OCC(=O)N[C@@H](COc2ccccc2F)c2ccccc2)ccc1[N+](=O)[O-] 604456350 KQQUGODHLHZRNW-IBGZPJMESA-N 440.427 4.058 5 20 IIBD CN1CCN(C[C@@H](Nc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])c2ccccc2)CC1 609039300 IWDQXOZPHDFSCF-XMMPIXPASA-N 444.535 4.226 5 20 IIBD COc1cc(C(=O)NCc2ccc(O)nc2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 609841016 NQYXERPDRMAXKG-UHFFFAOYSA-N 429.816 4.080 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2[C@@H](C)[C@@H](c3ccccc3)C[C@H]2C)cc1OC 610186637 HIIUWSMZACJJRH-RYRKJORJSA-N 428.485 4.035 5 20 IIBD CC(C)CC(=O)Nc1ccc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)cc1F 610222416 SVFGUOLQFFODCG-UHFFFAOYSA-N 431.420 4.132 5 20 IIBD CCOc1cc(Br)c(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1OCC 610920566 YVWJBNZUBJVXPM-UHFFFAOYSA-N 441.282 4.254 5 20 IIBD CC(C)[C@@H](CNC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccccc1 725985649 MCXKZBGRWCEEOH-QGZVFWFLSA-N 449.301 4.070 5 20 IIBD CC(C)(C)OC(=O)N1CCc2cc(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)ccc21 726509673 SMVAPFKGXHLMEM-UHFFFAOYSA-N 436.468 4.486 5 20 IIBD O=C(c1cc2c(s1)CCC2)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727330012 VNPXXDXBNHRVIU-UHFFFAOYSA-N 425.432 4.126 5 20 IIBD Cc1nc(CC(C)C)sc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 727915182 LRBDRIGMOGTGDO-LLVKDONJSA-N 425.894 4.396 5 20 IIBD Cc1c(C(=O)NC[C@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)cccc1[N+](=O)[O-] 728971296 CEEONEMLZYNFOU-INIZCTEOSA-N 436.308 4.102 5 20 IIBD COc1cc(COC(=O)Cc2ccccc2Br)c([N+](=O)[O-])cc1OC(F)F 729730933 QIHGFKBXRKNRSN-UHFFFAOYSA-N 446.200 4.253 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCc1cc(Cl)c2c(c1)OCCCO2 731918255 HYIKTLMRVJKUOU-UHFFFAOYSA-N 448.831 4.018 5 20 IIBD O=C(COC(=O)c1ccc(-c2ccccc2)[nH]1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 732389879 POPKRCGLPBSACH-UHFFFAOYSA-N 433.342 4.404 5 20 IIBD O=C(Oc1cccc(Oc2ccccn2)c1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 732495200 UHUHZTXTPXELFR-INIZCTEOSA-N 439.449 4.054 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)O[C@@H]1CCCN(C(=O)c2ccccc2Cl)C1 732614968 PTQOQILJLSKDPF-GOSISDBHSA-N 445.903 4.288 5 20 IIBD CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-] 734898340 YQNGDMQBTMQAOH-VLIAUNLRSA-N 430.888 4.291 5 20 IIBD COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)OCc1cccc([N+](=O)[O-])c1C 734921401 CENCBRQTNBBODY-LJQANCHMSA-N 430.457 4.221 5 20 IIBD C[C@H](OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(=O)N(C)Cc1nc2ccccc2s1 736865398 AABVLJFWYIEIQM-NSHDSACASA-N 433.873 4.062 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1Br 739581033 YSJTYHYHYYDSCW-ZFWWWQNUSA-N 443.294 4.094 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)NCCN2C(=O)S/C(=C\c3ccc(Cl)cc3)C2=O)c1 741885937 UYAIPQIBJYUTTL-BOPFTXTBSA-N 445.884 4.023 5 20 IIBD O=C(NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 744001734 IESRNEVMQCPEIE-STQMWFEESA-N 449.699 4.164 5 20 IIBD COc1ccc2sc(C(=O)OCCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)c(C)c2c1 745343353 QFLCFVWCHVILIQ-UHFFFAOYSA-N 442.449 4.282 5 20 IIBD C[C@H](C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(Br)s1 745639006 HADQPDDIJHOVNU-VIFPVBQESA-N 438.259 4.316 5 20 IIBD COc1ccc(NC(=O)c2nnc(/C(Cl)=C\c3ccc([N+](=O)[O-])c(O)c3)s2)cc1 748147259 LTJBZGMIWLGIEQ-MDWZMJQESA-N 432.845 4.150 5 20 IIBD CN(C)[C@@H]1CCC[C@H](NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 749450947 GLWIDAFNBFTBBM-LSDHHAIUSA-N 444.919 4.103 5 20 IIBD CCOC(=O)Nc1ccc2c(COc3ccc(C(C)=O)cc3[N+](=O)[O-])cc(=O)oc2c1 749834712 GCYGOEVLZLVFMV-UHFFFAOYSA-N 426.381 4.051 5 20 IIBD O=C(Nc1ccc2nc(C3CC3)sc2c1)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 751248898 WSAZYSBOXKEJRD-UHFFFAOYSA-N 442.409 4.014 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2cccc(NC(=O)c3ccoc3)c2)cc1[N+](=O)[O-] 753084431 RCPSHAGMPUMVRG-UHFFFAOYSA-N 435.845 4.203 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2ccc(N3CCO[C@H](C)C3)cc2)cc1[N+](=O)[O-] 753159258 QAPKQZPSSWAXNW-GFCCVEGCSA-N 434.290 4.143 5 20 IIBD COc1ccc2cccc(CC(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c2c1 754306581 OKYBSRAJKUFHTL-UHFFFAOYSA-N 428.828 4.134 5 20 IIBD CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 755470243 WOUKRFYCWJRBNA-GOSISDBHSA-N 426.391 4.040 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N(Cc1ccccc1)C[C@@H](O)c1cccs1 755761100 HFUIBNJGHLLXSH-OAQYLSRUSA-N 435.505 4.373 5 20 IIBD C[C@@H](OC(=O)CCC(=O)c1cc(Cl)sc1Cl)C(=O)Nc1ccccc1[N+](=O)[O-] 756607956 GOKXRDNRBVYRJC-SECBINFHSA-N 445.280 4.496 5 20 IIBD CCN1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3Br)c(C)c2)CC1 757838030 HQYSFTKEJSQZIE-UHFFFAOYSA-N 447.333 4.060 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccccc1C(=O)NCCc1ccccc1 758155309 POHJXIPXIIZKCZ-UHFFFAOYSA-N 442.475 4.230 5 20 IIBD CN(C(=O)c1cccc([N+](=O)[O-])c1Br)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 759140489 FHJGVPWASDOJFE-WMLDXEAASA-N 437.265 4.489 5 20 IIBD CC[C@@H](C)n1ncc(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1C1CC1 760623731 ARIZHIAFHZQUHO-NEPJUHHUSA-N 434.880 4.477 5 20 IIBD CC(C)(C)OC(=O)NCCc1noc(-c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n1 761583992 TZILNTGAKRLADI-UHFFFAOYSA-N 439.472 4.324 5 20 IIBD COc1ccc(-c2nnc(NC(=O)c3cc([N+](=O)[O-])ccc3Br)s2)cc1 762644380 ZODXPQQZJOTGGT-UHFFFAOYSA-N 435.259 4.137 5 20 IIBD O=C(OCc1nc(-c2cccc(Br)c2)no1)c1c[nH]c2cc([N+](=O)[O-])ccc12 762717229 LXZVRQYAMSLPNM-UHFFFAOYSA-N 443.213 4.246 5 20 IIBD COc1ccc([C@H]2NC(=O)N(CC3CC3)C(C)=C2C(=O)Nc2ccc([N+](=O)[O-])cc2)s1 763327373 PQOJQEIBYLEYEG-LJQANCHMSA-N 442.497 4.054 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3CCN(Cc4ccc(C(F)(F)F)cc4)C3)CC2)cc1 765998459 LLYJRWQPWDXFLB-HXUWFJFHSA-N 448.489 4.447 5 20 IIBD COc1cc(COC(=O)c2ccccc2OCc2csc(C)n2)c([N+](=O)[O-])cc1F 766182244 SEJBNKPDVCZNSQ-UHFFFAOYSA-N 432.429 4.443 5 20 IIBD COC(=O)N1CCC[C@@H](NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 767940231 IWFQAYRLZMGACL-CQSZACIVSA-N 449.916 4.360 5 20 IIBD C[C@@H]1CC(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)O1 768053426 CFDMVJNGEQQJMC-CHWSQXEVSA-N 431.876 4.186 5 20 IIBD C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1Cc1ccc(Br)c([N+](=O)[O-])c1 770386249 MECPGQFGXQPHEO-GXTWGEPZSA-N 428.327 4.092 5 20 IIBD O=C(NC[C@@H](O)c1ccccc1C(F)(F)F)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 771768041 YZCOAZPAISOVFK-CQSZACIVSA-N 437.296 4.488 5 20 IIBD O=C(COC(=O)c1sc(Br)cc1[N+](=O)[O-])Nc1ccc(F)cc1Cl 773597728 KWEQANKDVIVFRW-UHFFFAOYSA-N 437.630 4.007 5 20 IIBD COc1cc(NC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)ccc1NC(=O)OC(C)(C)C 778232503 JFDZEECEFYECAE-UHFFFAOYSA-N 445.457 4.207 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)C1(c2ccccc2Cl)CCOCC1 778800959 ISPMDWSWHPFNIK-MRXNPFEDSA-N 448.878 4.258 5 20 IIBD C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 780961026 OQCRHQAWGWPXBG-JKSUJKDBSA-N 435.524 4.057 5 20 IIBD Cc1cc(=O)oc2cc(OCCOC(=O)c3cccc([N+](=O)[O-])c3Br)ccc12 781675911 ZRJBFWFHKTXWGL-UHFFFAOYSA-N 448.225 4.008 5 20 IIBD CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1cccc([N+](=O)[O-])c1Br 782172771 UELWHAAJJREUTF-UHFFFAOYSA-N 447.333 4.131 5 20 IIBD O=C(COC(=O)C1(Cc2ccc(F)cc2)CC1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 782469073 WXPQJKGNCNJVCB-UHFFFAOYSA-N 440.349 4.257 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1nn(-c3ccccc3C(F)(F)F)cc1O)CC2 790010806 RCOWNFKKUKIQIR-UHFFFAOYSA-N 432.358 4.016 5 20 IIBD O=[N+]([O-])c1cc(Br)c(F)cc1OC[C@H](O)COCc1ccccc1Cl 790139649 NLPPGZBSSOEAAP-LLVKDONJSA-N 434.645 4.106 5 20 IIBD CC[C@@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@H](c1ccc(C)cc1)n1cncn1 790561310 ZTKGODRILNHTJP-NQIIRXRSSA-N 445.882 4.014 5 20 IIBD COCc1ncsc1C(=O)O[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 792753646 QBQZDQKZGXQWAO-SFHVURJKSA-N 441.465 4.043 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)Nc2cnn(-c3ccccc3Cl)c2)cc1[N+](=O)[O-] 793018436 FWJUIXJPZMHOCJ-UHFFFAOYSA-N 441.875 4.309 5 20 IIBD C[C@H](SCC(=O)OCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 794444789 NHYSHMABOCQDHP-LBPRGKRZSA-N 442.415 4.417 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 794753899 RZBWIJSYXMBWCF-OAHLLOKOSA-N 443.422 4.133 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)Oc2ccc3c(c2)CC(=O)N3)cc1[N+](=O)[O-] 797350130 ZBDIRYMFKWEZIF-UHFFFAOYSA-N 448.456 4.262 5 20 IIBD CN(Cc1nc2ccccc2s1)C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O 798152807 GJRYKWXYNFZQLV-UHFFFAOYSA-N 443.872 4.021 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C1(c2cncc(Br)c2)CC1 798480727 ZBNKSLVCHIKQAT-UHFFFAOYSA-N 441.079 4.185 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1c(C)c2cc(Br)ccc2oc1=O 798542066 FUTVHINKPDSVMD-UHFFFAOYSA-N 447.241 4.423 5 20 IIBD CCCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)[C@@H](C)CC(=O)Nc1ccccc1 800237770 JCDSIMQNQFPXAR-AWEZNQCLSA-N 428.445 4.081 5 20 IIBD COc1ccc(OC)c(-n2nnnc2SCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 809956626 BTKDFOSGUCGRIF-UHFFFAOYSA-N 442.284 4.187 5 20 IIBD O=C1CC[C@@]2(C(=O)OCc3cc([N+](=O)[O-])ccc3C(F)(F)F)Sc3ccccc3N12 815183775 CXUCXRLFCYWUSR-SFHVURJKSA-N 438.383 4.286 5 20 IIBD Cn1nc(Br)cc1NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 816711515 LNXVYCHPNOQEIX-UHFFFAOYSA-N 425.308 4.378 5 20 IIBD CC(C)[C@@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(=O)NCc1ccccc1F 877877476 CEAGUSMCISTREH-LJQANCHMSA-N 430.457 4.446 5 20 IIBD COc1ccc(CSCC(=O)O[C@H](C)C(=O)Nc2cc(C)ccc2C)cc1[N+](=O)[O-] 914801680 SZKQIZZKRYCWFJ-OAHLLOKOSA-N 432.498 4.024 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)NC(=O)C2(c3cccc(F)c3)CCCC2)cc1[N+](=O)[O-] 916792322 JRGGGFMBIVUYTK-UHFFFAOYSA-N 440.880 4.013 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)OCc1nc(-c2cc(Br)cs2)no1 918861725 RBPJUQHIEPPTME-UTCJRWHESA-N 436.243 4.225 5 20 IIBD O=C(Cc1csc(-c2cccc(F)c2)n1)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 918891391 JVZITPONAXHHTA-UHFFFAOYSA-N 440.412 4.193 5 20 IIBD O=C(OCc1cc(F)ccc1[N+](=O)[O-])C1CCN(C(=O)c2cccc3ccccc23)CC1 918919468 RJPIODKBHXZDNC-UHFFFAOYSA-N 436.439 4.483 5 20 IIBD COc1ccc(S[C@H](C)C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 919515238 MQCBCHJZVGFXCT-QWHCGFSZSA-N 429.454 4.438 5 20 IIBD O=C(N[C@H](Cc1ccccc1)c1nnc(COc2ccccc2[N+](=O)[O-])o1)c1ccccc1 1117215233 WHYNPLFVAOTFOM-LJQANCHMSA-N 444.447 4.271 5 20 IIBD Cc1nsc(N2CCCN(Cc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)CC2)n1 1254019897 ZJINBEJRIPZNML-UHFFFAOYSA-N 433.921 4.380 5 20 IIBD O=C1Nc2ccccc2[C@H]1C1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 1325686297 WTMCJDIEMIBHHH-HXUWFJFHSA-N 448.504 4.306 5 20 IIBD C[C@H](OC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ncc(-c2ccc(Cl)c(Cl)c2)o1 1335395628 PXFNQVIUGSOYPN-JTQLQIEISA-N 438.223 4.023 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 1348298992 PRYRZICKAXVEPV-IHWFROFDSA-N 425.554 4.389 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(F)c1[N+](=O)[O-])c1cc(Cl)ccc1F 1800526653 JTPJCLMUTSQKDC-BTTYYORXSA-N 449.841 4.092 5 20 IIBD CC(C)/C=C/C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])n[nH]1 1823502671 FVRBANXEXFSFKP-VRWKXXABSA-N 437.500 4.236 5 20 IIBD O=C(Cc1cc([N+](=O)[O-])ccc1F)N1CCC([C@@H]2CCCCN2C(=O)C2=CCCC2)CC1 1826270518 KFCMQHSWKLJTOC-QFIPXVFZSA-N 443.519 4.006 5 20 IIBD CC(C)C1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)CCC1 1832489352 RMDNTFFRJTTWSM-SFHVURJKSA-N 431.533 4.247 5 20 IIBD Cc1cccc(C(=O)N2CCCC23CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C3)c1Cl 1846808054 TUUALZCGZNLTIW-UHFFFAOYSA-N 441.915 4.006 5 20 IIBD Cc1ccc(-c2nc(CC(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)cs2)cc1 10764938 QNESPVZYJLJHMF-UHFFFAOYSA-N 426.450 4.179 5 20 IIBD Cc1ccc(C(=O)CCC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 15034087 SQPMXNVJVNBWDD-UHFFFAOYSA-N 429.420 4.175 5 20 IIBD C[C@@H](OC(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)Nc1ccccc1[N+](=O)[O-] 16320461 GQUJERVRXBMTQE-CQSZACIVSA-N 426.400 4.497 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 21156866 GSEDRVAOYACEBJ-AWEZNQCLSA-N 442.859 4.235 5 20 IIBD Cc1nn(Cc2ccc(C(=O)OCCCOc3ccc(F)cc3)cc2)c(C)c1[N+](=O)[O-] 26161386 FPZJGZYMCBXPJX-UHFFFAOYSA-N 427.432 4.221 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cccc(OCc3ccc(F)cc3)c2)cc1[N+](=O)[O-] 26544027 LWDLRJSZFDXIMX-UHFFFAOYSA-N 432.429 4.122 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2ccc(Br)cc2)C1 62513778 IEEUZWGYAQGUSV-QGZVFWFLSA-N 437.315 4.050 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 71933511 MBCUQNOHOBXJIL-KRWDZBQOSA-N 436.390 4.099 5 20 IIBD O=[N+]([O-])c1cc2c(c(CN3CCC[C@H](c4nc(-c5ccc(F)cc5)no4)C3)c1)OCOC2 110474905 LKBLYZIHNKGNQI-HNNXBMFYSA-N 440.431 4.030 5 20 IIBD O=C(N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 195719564 XAZOGMABKGGUBF-HSZRJFAPSA-N 438.447 4.176 5 20 IIBD COc1ccc([C@@H](Nc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)c2nccn2C)cc1 301075672 DBQIDMTZWRBTAU-OAQYLSRUSA-N 430.468 4.304 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(CC(C)C)CC(C)C)cc2)cc1[N+](=O)[O-] 302003946 YXQJKHNOTXRMPV-UHFFFAOYSA-N 447.557 4.458 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)s1 302105606 XICGWHYSYOQNOQ-UHFFFAOYSA-N 432.405 4.008 5 20 IIBD Cc1ccc(Br)cc1S(=O)(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 324585981 YVKKJOQLVFSTTN-UHFFFAOYSA-N 428.289 4.076 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 410422122 LIXHYYOBHVYOMM-QHCPKHFHSA-N 445.475 4.073 5 20 IIBD C[C@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1cc2c(cc1Br)OCCO2 429883048 IMTWHOPPZMEOCS-LBPRGKRZSA-N 449.301 4.284 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)[C@H](C)[C@@H]1OCCc2sccc21)c1ccccc1[N+](=O)[O-] 431687731 QWEDGULMOARCED-FNXXIHLHSA-N 446.525 4.105 5 20 IIBD Cc1ccccc1CN(Cc1cccnc1)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 432476532 MWRBSEWJCBEKMR-UHFFFAOYSA-N 442.475 4.454 5 20 IIBD O=C(NCC1(c2ccc(Cl)cc2Cl)CCOCC1)c1ccc(O)c([N+](=O)[O-])c1 436953915 SOYNSQNIQVNBRD-UHFFFAOYSA-N 425.268 4.085 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 439723943 WYSUHOSDVZRBIH-HXUWFJFHSA-N 436.468 4.167 5 20 IIBD CCc1ccc(C(=O)NC2(c3noc([C@@H]4CCOC4)n3)CCCCCC2)cc1[N+](=O)[O-] 439945674 SLLHBHCBZCTISQ-QGZVFWFLSA-N 428.489 4.024 5 20 IIBD O=C(Nc1ccc(CCC(F)(F)F)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 441349438 SXOVADHGWWAIDW-UHFFFAOYSA-N 447.316 4.268 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1 442449535 CTZLOQVXKPPZMM-IBGZPJMESA-N 449.467 4.036 5 20 IIBD COc1cccc(OCCCNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 444086577 XTBOJWFBCHMGAS-UHFFFAOYSA-N 438.430 4.167 5 20 IIBD Cc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)sc1Cc1ccccc1F 446103225 MXPNXRVHVIEMEN-UHFFFAOYSA-N 447.513 4.426 5 20 IIBD COC1(CO)CCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CC1 446984408 HMEMPUGEDUIRSW-UHFFFAOYSA-N 436.917 4.013 5 20 IIBD CCC[C@H](CCCS(C)(=O)=O)C(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 448126426 BIQHTQRVEDYVRC-CQSZACIVSA-N 439.559 4.206 5 20 IIBD CCOc1ccc(O[C@H](C)c2nnc(N3CCc4ccc([N+](=O)[O-])cc4C3)n2CC)cc1 460182032 AKJNZPUZQRBOCY-MRXNPFEDSA-N 437.500 4.308 5 20 IIBD COc1cc(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)c([N+](=O)[O-])cc1OC 461185425 KKGXSMFUOFALKO-UHFFFAOYSA-N 438.402 4.483 5 20 IIBD CCN(Cc1cccc(F)c1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 461579483 QSUOTTFDFOAHQE-KRWDZBQOSA-N 425.464 4.055 5 20 IIBD COc1ccc(CSCC(=O)Nc2cccc(Oc3cccnn3)c2)cc1[N+](=O)[O-] 461601085 QTBLAQVJSZHNLT-UHFFFAOYSA-N 426.454 4.058 5 20 IIBD CCCCN1CCC(Nc2ccc(C(=O)c3ccccc3C(=O)OC)cc2[N+](=O)[O-])CC1 462387253 ISPADUONLOANMP-UHFFFAOYSA-N 439.512 4.289 5 20 IIBD Cn1ccnc1[C@H](Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)c1cccc(F)c1 462438278 SFWZMIYEOCRPKQ-OAQYLSRUSA-N 433.443 4.643 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CCCOc2ccc(F)cc21 462518610 RKNSGWKTHXHHTE-ZDUSSCGKSA-N 435.260 4.233 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])Nc1cccc(COCC(F)(F)C(F)F)c1 466157271 LWDDBXPJXTWHGN-UHFFFAOYSA-N 429.370 4.376 5 20 IIBD CSc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2I)cc1 466661869 SPZOGQOFDLFDMD-SNVBAGLBSA-N 442.278 4.412 5 20 IIBD O=C(N[C@H]1CCc2c[nH]nc2C1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 467633551 DBXZLGDBMUJTQZ-HNNXBMFYSA-N 428.901 4.410 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@@H](Oc3ccncc3)C2)c([N+](=O)[O-])c1 469742385 RURAYMMOJZNWRU-NFBKMPQASA-N 432.480 4.131 5 20 IIBD CCOC(=O)[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cccc(C)c1C 472097671 XVBPYULIZJOSHN-VWLOTQADSA-N 442.515 4.192 5 20 IIBD C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1cc2cccc(F)c2o1 475757187 QRBPPABWYFVDFK-FZMZJTMJSA-N 431.445 4.024 5 20 IIBD Cc1cc(=O)c(C(=O)N2c3ccccc3CC[C@@H]2C(C)C)nn1-c1ccccc1[N+](=O)[O-] 476298906 XCCGKMYZRQJXIU-GOSISDBHSA-N 432.480 4.067 5 20 IIBD COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 478576482 PNGIUFOYSAAOIM-UHFFFAOYSA-N 428.363 4.208 5 20 IIBD Cc1c(CNC(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)cccc1[N+](=O)[O-] 478928327 NPRIVCHZZAZEKL-UHFFFAOYSA-N 436.443 4.294 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](c1ccccc1)c1nc2ccccc2n1C 481421615 FZACDQRCDRCIPH-QHCPKHFHSA-N 429.480 4.108 5 20 IIBD O=C(Nc1ncc(Cc2ccc(F)cc2F)s1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 484305790 JCJSPXODHHHVPP-UHFFFAOYSA-N 441.419 4.358 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)NCc1cc(Br)ccc1Br 485763517 OGJCTKTVYBWZEB-UHFFFAOYSA-N 428.080 4.358 5 20 IIBD CC(=O)N1CCc2cc(NC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])ccc21 486341855 HYUPOZSIEAEIRI-UHFFFAOYSA-N 431.448 4.335 5 20 IIBD COC(=O)c1cc(NC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c(C)c([N+](=O)[O-])c1 486906673 USAXMSITGKQDSH-UHFFFAOYSA-N 434.452 4.492 5 20 IIBD CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 489398764 GHLXHXKBNFLHCQ-KBPBESRZSA-N 443.504 4.370 5 20 IIBD CCOc1cccc(-c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3SCCO)n2)c1 490207616 RCTUIMDYNOHEMO-UHFFFAOYSA-N 439.493 4.392 5 20 IIBD CCN(C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)[C@@H](c1ccc(C)cc1)c1cccnc1 496551472 KVQSABLIKZZMGS-JPYJTQIMSA-N 446.507 4.055 5 20 IIBD C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1nc2ccccc2n1C(F)F 497812048 LVQRHBPLJKKGQL-GFCCVEGCSA-N 441.394 4.144 5 20 IIBD C[C@@H]1C[C@H](N(C)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCN1Cc1ccccc1 498495137 OLGQGJNUBAGWOI-DYESRHJHSA-N 444.963 4.485 5 20 IIBD O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)c1ccc([N+](=O)[O-])c2cccnc12 498646029 GSTAKBPNVVBLNL-UHFFFAOYSA-N 429.223 4.283 5 20 IIBD COc1ccc(C[C@@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])c2ccc(OC)cc2)cc1 499052730 KJXVKVRPFGEYBL-JOCHJYFZSA-N 435.480 4.124 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1cc(Cl)ccc1N1CCSCC1 500353266 GEVOPIOHTUSOAG-UHFFFAOYSA-N 448.353 4.256 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 502295390 UKJPBBFTTPUEEM-HXUWFJFHSA-N 440.887 4.435 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1nnc(-c2ccccc2Cl)o1)C(C)C 502769014 DLLKKWWESOLJFZ-UHFFFAOYSA-N 443.891 4.456 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1c1nc2ccccc2n1CC 509626219 QGYLIZZTKITJIG-LJQANCHMSA-N 428.514 4.053 5 20 IIBD CCCn1ccc2cc(NC(=O)NCCc3cc(OC)c(OC)cc3[N+](=O)[O-])ccc21 509831438 BPIPMCBBJHXIEF-UHFFFAOYSA-N 426.473 4.341 5 20 IIBD Cc1ccc(CN2CCOCC2)cc1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 510253652 DTWQUUOSUCWMQO-UHFFFAOYSA-N 448.317 4.059 5 20 IIBD COCCOc1ccccc1NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 512121299 HUSWVVLBOINZJN-INIZCTEOSA-N 436.468 4.440 5 20 IIBD CCOC(=O)c1c(C2CC2)csc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 512156477 ZTHCVDLBFWGBCI-UHFFFAOYSA-N 426.454 4.148 5 20 IIBD CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)cc1Cl 515620507 QRNHAKPDQWNDAX-UHFFFAOYSA-N 447.875 4.206 5 20 IIBD Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 516444032 ONGFSSQOQTVPBO-SNVBAGLBSA-N 440.681 4.135 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 518964441 STOLXLHTNITRCY-UHFFFAOYSA-N 433.443 4.421 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN3CCN(c4nccc5sccc45)CC3)o2)c1 520281322 RZLZGKHDAXILER-UHFFFAOYSA-N 435.509 4.224 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2cn(Cc3ccccc3)nn2)no1 520652466 CFCBRYUPASIZSG-LBPRGKRZSA-N 426.820 4.078 5 20 IIBD COc1ccc(S(=O)(=O)N[C@H](C)c2sc(-c3ccc(C)cc3)nc2C)cc1[N+](=O)[O-] 520777903 PBISQRGGXUYFDH-CQSZACIVSA-N 447.538 4.383 5 20 IIBD CCC(CC)NC(=O)[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c2ccccc2O1 522222292 SHGJAQFGBMHHCA-OAQYLSRUSA-N 437.452 4.054 5 20 IIBD CCC[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 522878858 DONRUWDCHYJMHP-HXUWFJFHSA-N 444.919 4.386 5 20 IIBD O=c1c(Cl)c(N2CCC(c3ccccc3F)CC2)cnn1-c1ccc([N+](=O)[O-])cc1 522902305 JFUIQMUFRFEQMU-UHFFFAOYSA-N 428.851 4.317 5 20 IIBD Nc1nc(Sc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)ncc1[N+](=O)[O-] 524412016 BWPOGTXFDAYOER-UHFFFAOYSA-N 425.861 4.019 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3nc(-c4cnn(C)c4)cs3)cc2[N+](=O)[O-])C1 525066157 KFIDWESRELILRO-OKILXGFUSA-N 440.529 4.186 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)CCc1cn(C)c2ccccc12)c1ccccc1[N+](=O)[O-] 531026413 SKUGQIZTZJLWIR-HXUWFJFHSA-N 437.496 4.218 5 20 IIBD O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1Cc1csc(COc2ccc(Cl)cc2)n1 534391226 FFWLAHAQAXKROP-UHFFFAOYSA-N 444.856 4.149 5 20 IIBD CCn1c(S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nc2ccc(F)cc2c1=O 534496201 FBNMJWQWTJPYRD-LLVKDONJSA-N 441.444 4.367 5 20 IIBD CN(CCc1cccc2ccccc12)C(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 536099482 QZYRCCOAGWGFGO-UHFFFAOYSA-N 433.493 4.332 5 20 IIBD Cc1nncn1-c1cccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 536493243 UQTAPTDFLJPGFG-UHFFFAOYSA-N 437.403 4.234 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(COc3ccccc3)cc2)cc1[N+](=O)[O-] 538100066 KMDXEPBDHORRGZ-KRWDZBQOSA-N 433.464 4.298 5 20 IIBD COc1cc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cc(OC)c1OC 538252078 QXDNWPKYUKYLQT-UHFFFAOYSA-N 429.454 4.021 5 20 IIBD C[C@H](CNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1nccs1 542583953 CIGSBHFWHAMMLQ-MRXNPFEDSA-N 447.520 4.366 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCN(C(=O)c3ccsc3)CC2)cc1OC 542913302 BEKAPOPNAWIPJF-INIZCTEOSA-N 447.557 4.048 5 20 IIBD CCOc1cc(C(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OC 543494362 FUKMGDHFQOZZCU-APWZRJJASA-N 432.448 4.134 5 20 IIBD Cc1[nH]c2ccccc2c1C1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 544070315 REQUSNPAMBXMLM-UHFFFAOYSA-N 427.526 4.038 5 20 IIBD Cc1cnc(-c2noc(C3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)n2)nc1 545736479 KTELVABTZPASAI-UHFFFAOYSA-N 434.378 4.146 5 20 IIBD COc1ccc(OCc2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)cc1C 545737326 DWHCVZDCFRKGSV-UHFFFAOYSA-N 434.246 4.227 5 20 IIBD Cc1ccc(C(=O)c2c(NC(=O)c3ccc([N+](=O)[O-])s3)sc3c2CCN(C)C3)cc1 546108175 JFCJOVVVWBPZCW-UHFFFAOYSA-N 441.534 4.497 5 20 IIBD Cc1ccc([C@]2(C)CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3C[C@H]3CCOC3)C2)cc1 550017731 KSMGVFXRWYCROM-KBMIEXCESA-N 447.539 4.366 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CC[C@@H](c4ccc(F)cc4)C3)n2C[C@@H]2CCOC2)c1 550024031 XMMNCXRBUHHTMG-QFBILLFUSA-N 437.475 4.023 5 20 IIBD Cc1cn(-c2cccc(NC(=O)c3cc([N+](=O)[O-])cc(Br)c3C)c2)c(O)n1 551283651 RGNWNJLTGGFASU-UHFFFAOYSA-N 431.246 4.118 5 20 IIBD Cn1ccnc1[C@H](NCC1(c2cccc(Cl)c2)CCOCC1)c1ccc([N+](=O)[O-])cc1 552048461 SZTULJISVJIYQJ-OAQYLSRUSA-N 440.931 4.409 5 20 IIBD Cn1ccnc1[C@H](Nc1ccc(NC(=O)c2ccccc2)cn1)c1cccc([N+](=O)[O-])c1 552262399 VBDAKJNVVAFRFL-OAQYLSRUSA-N 428.452 4.177 5 20 IIBD Cc1c(NC(=O)C(=O)NC2(c3ccc(Br)cc3)CCCC2)cccc1[N+](=O)[O-] 555035620 NHJNEWJVCYNMIT-UHFFFAOYSA-N 446.301 4.190 5 20 IIBD Cc1cc(OCc2nc(-c3cc(Cl)ccc3O[C@H]3CCOC3)no2)ccc1[N+](=O)[O-] 558355738 ZTBMTVLTFYLDPE-HNNXBMFYSA-N 431.832 4.353 5 20 IIBD O=C(N[C@H](c1ccc(Cl)cc1)C1CCC1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 561312337 JPTIXSWSCCDSJE-NRFANRHFSA-N 441.915 4.397 5 20 IIBD O=[N+]([O-])c1ccc(Sc2cccs2)c(NS(=O)(=O)c2cnn(CC(F)F)c2)c1 571825483 QSTRCOMERHHRFS-UHFFFAOYSA-N 446.482 4.070 5 20 IIBD O=[N+]([O-])c1ccn(C2CCN(c3nnc(-c4ccccc4)n3CCc3ccccc3)CC2)n1 579617501 VYUJOVKYKOGQDL-UHFFFAOYSA-N 443.511 4.134 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 580791998 OLBZXSRIMXMMBG-VWLOTQADSA-N 436.556 4.225 5 20 IIBD Cc1ccccc1[C@H](C)N(CC(C)C)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 588839298 PLHNXZREHWMLHU-INIZCTEOSA-N 429.542 4.340 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cccc(F)c3)cc2)cc1[N+](=O)[O-] 603501756 CNQHKOHMNXTFFR-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD Cc1c(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)nnn1-c1cccc([N+](=O)[O-])c1 603566976 UJTIWXDNTCHWIS-UHFFFAOYSA-N 431.374 4.096 5 20 IIBD COc1cc(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)ccc1OCCC(C)C 603900968 PGFLBNSSCIFVNW-UHFFFAOYSA-N 438.484 4.144 5 20 IIBD CCOc1cc(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)c([N+](=O)[O-])cc1OC 604006393 KSTBPTVTTYFAJI-UHFFFAOYSA-N 441.484 4.061 5 20 IIBD COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 604435091 NSZKLLMSNVBWIZ-QFIPXVFZSA-N 433.420 4.146 5 20 IIBD CCn1c([C@H](C)NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)nc2ccccc21 604479946 IINOGZQZHBMSDW-AWEZNQCLSA-N 428.514 4.084 5 20 IIBD O=C(NCc1ccc2c(c1)OCCCO2)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 608969332 PTOFIAUSJFZIOO-UHFFFAOYSA-N 433.464 4.298 5 20 IIBD O=C(NC1CC1)c1ccc(CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C2CC2)cc1 609193448 GSDBDQDZORURKG-UHFFFAOYSA-N 446.507 4.349 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)NC(C)(C)c2ccc(C(C)C)cc2)cc1OC 609219575 YDSARGITAFWYNK-UHFFFAOYSA-N 430.501 4.417 5 20 IIBD O=C1[C@@H](Sc2nnc(C3CC3)n2Cc2ccccc2)CCN1c1cccc([N+](=O)[O-])c1 609449962 KUSQVTLMNXOUEJ-IBGZPJMESA-N 435.509 4.010 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(c2cncc(Br)c2)CC1 609494852 NOOFHBXYGPQKCP-UHFFFAOYSA-N 431.212 4.098 5 20 IIBD CCn1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2Nc2cccc(C(F)(F)F)c2)ccc1=O 609497676 VOMQEYQLIAWYLS-UHFFFAOYSA-N 447.373 4.186 5 20 IIBD O=C(Nc1cccc(C[S@](=O)Cc2ccccc2)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 609702954 AABDHUTZMQLIEW-WJOKGBTCSA-N 438.461 4.025 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc([N+](=O)[O-])cc1Br 610038018 SPIYVBSTALTCDP-UHFFFAOYSA-N 443.301 4.149 5 20 IIBD O=C(N[C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc([N+](=O)[O-])cc1Br 610041208 QXYNASWSKLBOHW-SFHVURJKSA-N 433.258 4.010 5 20 IIBD O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 610159652 JLZUYDQKBROFTP-UHFFFAOYSA-N 446.507 4.120 5 20 IIBD Cc1cccn2cc(CCNC(=O)c3ccc(N[C@H](C)c4ccccn4)c([N+](=O)[O-])c3)nc12 610434848 NSKONEJNCMCGKO-QGZVFWFLSA-N 444.495 4.092 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCc3ccc([S@](C)=O)cc3)cc2[N+](=O)[O-])n1 610623592 VBQOZXCEXKXNCC-LJAQVGFWSA-N 447.563 4.178 5 20 IIBD CCCC(=O)Nc1cccc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 611944905 YABNTHOEGZJRLJ-UHFFFAOYSA-N 427.504 4.210 5 20 IIBD Cn1c(SCC(=O)N(Cc2ccccc2)C2CC2)nc2cc3ccccc3cc2c1=O 613972822 GCVVHHKBZFUVCW-UHFFFAOYSA-N 429.545 4.370 5 20 IIBD Cc1ccc([C@H](C)NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1C 725984851 FKQDXILTOFUKSY-ZDUSSCGKSA-N 435.274 4.008 5 20 IIBD Cc1cc(NS(=O)(=O)c2ccc(OC3CCCC3)cc2)n(-c2ccc([N+](=O)[O-])cc2)n1 727245875 GNCHZAXMNGAHME-UHFFFAOYSA-N 442.497 4.211 5 20 IIBD O=C(COC(=O)c1ccc(-c2ccc(F)cc2)cc1F)Nc1cc([N+](=O)[O-])ccc1F 730055418 DPMNEBKHAFKFBQ-UHFFFAOYSA-N 430.338 4.475 5 20 IIBD Cc1cccc2sc(NC(=O)c3ccc(I)c([N+](=O)[O-])c3)nc12 730469228 JGIWSRQEFOFJJI-UHFFFAOYSA-N 439.234 4.370 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)OCc2noc3c2CCCC3)cc1[N+](=O)[O-] 731233891 RWVNEKUYYOXWMC-UHFFFAOYSA-N 449.463 4.116 5 20 IIBD O=Cc1ccc(OCC(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)c([N+](=O)[O-])c1 731608604 GMOIPFULMIHANW-UHFFFAOYSA-N 443.431 4.083 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CNc3ccc(OC(F)F)cc3OC(F)F)n2)cc1 733304759 QXBKDIMOVFEITH-UHFFFAOYSA-N 428.298 4.460 5 20 IIBD O=C(O[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 733455885 INDAACLFKWFORO-INIZCTEOSA-N 433.342 4.057 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O 733841350 BLUXFTPCTBXLOY-CQSZACIVSA-N 442.781 4.194 5 20 IIBD COc1cc(COC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)c([N+](=O)[O-])cc1OC(F)F 734923702 RASBIPIVZHWHSU-MNOVXSKESA-N 429.322 4.330 5 20 IIBD O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 735743679 HPSGEVQDGJJVIZ-ZDUSSCGKSA-N 436.198 4.358 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c(Cl)c1 740814147 JUYZANUSKSWECM-UHFFFAOYSA-N 434.880 4.437 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H](NCCOC1CCC1)c1ccccc1 743485493 KRIJLWMMKBGFQS-LJQANCHMSA-N 448.317 4.196 5 20 IIBD Cc1c(CC(=O)O[C@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)cccc1[N+](=O)[O-] 748477378 WWJLDKVTDRECSM-CQSZACIVSA-N 425.466 4.140 5 20 IIBD COCCONC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2 748768216 VTQAPEZPKAUHRA-VKAVYKQESA-N 433.464 4.328 5 20 IIBD CC[C@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H](O)c1cccc([N+](=O)[O-])c1 750034349 ALTWZUICTHDAJF-IFXJQAMLSA-N 439.434 4.386 5 20 IIBD O=C(Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)c1)c1ccoc1 751125394 KPHMGYNSQIKQTI-UHFFFAOYSA-N 430.214 4.455 5 20 IIBD O=C(OCc1ccn(-c2c(F)cccc2F)n1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 751612751 RTDHWDUBJSTTCF-UHFFFAOYSA-N 442.422 4.019 5 20 IIBD O=C(NCC1([C@H](O)c2ccccc2)CC1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 752358485 VCTWWFVDEPKXMG-HSZRJFAPSA-N 431.492 4.451 5 20 IIBD CCSc1ccc(CC(=O)OC2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)cc1 752508129 SGGHYLJIIOIEPU-UHFFFAOYSA-N 430.526 4.470 5 20 IIBD Cc1cccc(-c2nnc(S)n2CCC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 752744018 CTPLVNXVNZSYOM-OAHLLOKOSA-N 425.514 4.026 5 20 IIBD O=C(c1ccccc1)c1ccc(N2CCOC[C@@H]2C[C@H](O)c2cccs2)c([N+](=O)[O-])c1 754023870 JINGAHBNVSVAFF-RXVVDRJESA-N 438.505 4.216 5 20 IIBD CC(C)(C)O[C@@H](C(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccccc1 754532903 GTFXFAKXZMONCU-HXUWFJFHSA-N 427.501 4.306 5 20 IIBD C[C@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1cccc(N2CCCC2=O)c1 755023777 HNJGFZKBUWNCLQ-LBPRGKRZSA-N 447.289 4.367 5 20 IIBD COc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)NCCc2cccc([N+](=O)[O-])c2)c1 759677209 BJCFNPWVGBXSSW-XMMPIXPASA-N 449.507 4.091 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Cl)cc1Br 761281822 NTTRCSNSXYJPGO-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD COC(=O)Nc1cccc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)c1 762262585 QISBFVYFPCKANE-UHFFFAOYSA-N 433.218 4.176 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(-c3cnc(Oc4ccccc4)cn3)no2)ccc1-n1ccnc1 762379772 ZWPZXSAURIGWGY-UHFFFAOYSA-N 427.380 4.080 5 20 IIBD COc1ccc(C[C@H](C)CN(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1 762382823 YDRBUJVLVKMJJB-LBPRGKRZSA-N 439.281 4.456 5 20 IIBD COC(=O)c1ccc(OC(=O)c2ccc(F)c(NC(=O)OC(C)(C)C)c2)cc1[N+](=O)[O-] 763709235 KCRAFRIUGPMJMD-UHFFFAOYSA-N 434.376 4.087 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(=O)N(C)Cc1nc2ccccc2s1 763720243 COHBWLHZMYVCTL-LLVKDONJSA-N 433.873 4.062 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 765033854 RIMIZWPZADWSSL-BHIYHBOVSA-N 433.549 4.315 5 20 IIBD O=C(OCCC(Cl)(Cl)Cl)c1cc([N+](=O)[O-])ccc1I 767493016 XVAUNKOVMFKFGI-UHFFFAOYSA-N 438.432 4.117 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)Cc2nc(C)sc2C)c2ccccc2)c([N+](=O)[O-])c1 767553774 FFGVJHPJEOBZLI-NRFANRHFSA-N 439.493 4.442 5 20 IIBD O=C(Nc1ccccc1C(=O)NCc1ccc(O)cc1)c1ccc([N+](=O)[O-])cc1Cl 769347351 AZOVCJJKCFSPLE-UHFFFAOYSA-N 425.828 4.136 5 20 IIBD O=[N+]([O-])c1cccc(CN(C2CC2)S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 769449222 ZJQHDXBHSYRGAG-UHFFFAOYSA-N 446.268 4.163 5 20 IIBD O=C(Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1)c1cc([N+](=O)[O-])c2nsnc2c1 771508521 HRBUMRQYVYIOCC-UHFFFAOYSA-N 445.888 4.131 5 20 IIBD C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 772317839 GLJINBHFIDUVRP-ROUUACIJSA-N 449.551 4.059 5 20 IIBD C[C@@H](OC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1ncc(Cl)n1C 773878904 SOESSSXCUCVQQT-MRVPVSSYSA-N 444.662 4.392 5 20 IIBD CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 777230577 CABYACQNRVTHAH-JWTNVVGKSA-N 427.888 4.156 5 20 IIBD COC(=O)C1CCC(OC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 777367895 UMOAVXZPJFTLNV-UQPPLGOBSA-N 427.457 4.052 5 20 IIBD COc1cccc(-n2nc(C)c([C@@H]3COCCN3Cc3cc(F)ccc3[N+](=O)[O-])c2C)c1 779611251 FZPCLLVSFNKKPM-QFIPXVFZSA-N 440.475 4.119 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N[C@@H](c1cccc(Cl)c1)c1ccccn1 781730017 OBOOOPPBFXAJJB-NRFANRHFSA-N 440.843 4.390 5 20 IIBD CC[C@H](C(=O)N1CCC(Nc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1)c1ccccc1 784137329 KSQFMYNCQVIJJH-SFHVURJKSA-N 427.501 4.209 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 784526217 GUOLRGTYMPAJDS-OAHLLOKOSA-N 430.386 4.429 5 20 IIBD C[C@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ncc(Cl)cc1Cl 785938129 ZUTKASNELZVVES-QMMMGPOBSA-N 432.647 4.063 5 20 IIBD CC(C)COC(=O)Nc1cccc(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 787404134 CFLARACCAYUPHP-UHFFFAOYSA-N 428.445 4.094 5 20 IIBD COCCCn1c(SCc2ccc([N+](=O)[O-])c(F)c2)nc2cc(Cl)ccc2c1=O 787489517 XFLDWDAGJQCIEJ-UHFFFAOYSA-N 437.880 4.426 5 20 IIBD COc1cc(C(=O)OCc2ccnc(N)c2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 787587381 ZAYPACOMRSEIHV-UHFFFAOYSA-N 429.816 4.383 5 20 IIBD O=C(NCC1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1)OCc1ccccc1 787778066 GDTGIMVLQRWDIP-UHFFFAOYSA-N 431.876 4.027 5 20 IIBD Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2cc([N+](=O)[O-])cc(C)c2F)cs1 787941098 WXOAKSZVNYYHHI-UHFFFAOYSA-N 443.456 4.345 5 20 IIBD COc1cc(C(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])cnc1Br 788367780 VEHVYFORNXYSRA-QGZVFWFLSA-N 444.241 4.102 5 20 IIBD Cc1c(Br)cc(-c2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)cc1[N+](=O)[O-] 789785916 OIUYBMYRNDUPIY-UHFFFAOYSA-N 441.282 4.476 5 20 IIBD Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790543637 QWVVVBYAASXXIB-UHFFFAOYSA-N 447.772 4.169 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)N(c2ccccc2F)C2CCCC2)c(C)c1[N+](=O)[O-] 790637840 BBXQPHGYYVTEKN-UHFFFAOYSA-N 437.449 4.397 5 20 IIBD O=C(Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2)c1ccc([N+](=O)[O-])c(Cl)c1 791371306 ICXAKPHTUUEDES-UHFFFAOYSA-N 427.816 4.204 5 20 IIBD CN1C(=O)/C(=C/c2csc(-c3cccc([N+](=O)[O-])c3)n2)c2cc(Br)cnc21 794879529 RVQPTNUXPWDGKR-VIZOYTHASA-N 443.282 4.393 5 20 IIBD CN(Cc1ccc(Cl)c(F)c1)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O 795443735 WLDRGSJNHQMCEC-UHFFFAOYSA-N 442.672 4.195 5 20 IIBD CCCC[C@@H](C)C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 799857897 HYXVGQJRELKXAN-COOUDCDJSA-N 439.921 4.227 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 800148450 LTLSQEQHOBMUSV-UHFFFAOYSA-N 430.461 4.101 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 810392656 DATNSCKQEVCMJE-UHFFFAOYSA-N 430.892 4.378 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](C2CCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)CC2)C1 810948321 FFGLGYGTJIIFAA-KRWDZBQOSA-N 449.573 4.183 5 20 IIBD CCN(C)C(=O)c1cccc(C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 811216716 NUIDLEHCEYNIIU-UHFFFAOYSA-N 425.466 4.167 5 20 IIBD CCOc1ccc([C@H](O)C2CCN(c3cc(C)c([N+](=O)[O-])cc3C(=O)OC)CC2)cc1 812480842 HMCZNBQQMMPGQL-QFIPXVFZSA-N 428.485 4.039 5 20 IIBD CO[C@](C)(C(=O)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)C1CC1 812665959 WFQBYOZNUCTJAT-RXVVDRJESA-N 432.860 4.286 5 20 IIBD O=C(Nc1cc(F)cc(NC(=O)c2ccc([N+](=O)[O-])s2)c1)c1ccc([N+](=O)[O-])s1 813323147 VJTYYWBZNRBJCD-UHFFFAOYSA-N 436.402 4.270 5 20 IIBD NC(=O)c1ccc(COC(=O)/C=C\c2ccc(-c3ccc(F)cc3)s2)c([N+](=O)[O-])c1 842099856 NHGKTDCXUUNEGK-NTMALXAHSA-N 426.425 4.318 5 20 IIBD Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 917721212 TXIDQRXRGNWNBY-UHFFFAOYSA-N 426.429 4.126 5 20 IIBD O=C(Nc1sc2c(c1C(=O)NCc1ccccc1[N+](=O)[O-])CCCC2)c1cccnc1 919884305 REEBXDZYGSSFIR-UHFFFAOYSA-N 436.493 4.112 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)ccc1N1CCN(C)CC1 1254152452 DPTMQZPUIAGDSQ-UHFFFAOYSA-N 428.558 4.408 5 20 IIBD COc1cc(C(=O)N2CCO[C@@H](c3ccc(Cl)s3)C2)c([N+](=O)[O-])cc1OC(F)F 1318824090 JWHDFRXSNIHHED-CYBMUJFWSA-N 448.831 4.133 5 20 IIBD O=C(NCCNc1cc(Br)ccc1[N+](=O)[O-])c1ccccc1C(F)(F)F 1319281595 CHEJMAOFCWKNFK-UHFFFAOYSA-N 432.196 4.218 5 20 IIBD C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)CCC1)c1ccccc1 1789691672 LVZIISSXTBYREA-MRXNPFEDSA-N 447.495 4.259 5 20 IIBD CCCC(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)[C@H]1c1cccnc1 1806407276 NQSIWTYBDGWXIB-IERDGZPVSA-N 444.919 4.071 5 20 IIBD Cc1ccc(C(=O)N2CCCC3(CCN(C(=O)/C=C/c4ccc([N+](=O)[O-])o4)CC3)C2)s1 1808088858 MRAPVWKGBASIDJ-QPJJXVBHSA-N 443.525 4.116 5 20 IIBD C[C@@H]1CCC[C@H]1C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1823679258 JLVBDQWHUULXDS-SXSPYAJSSA-N 441.572 4.193 5 20 IIBD C[C@@H]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1828485187 CBOMUIMEJOJVOA-PLMTUMEDSA-N 445.535 4.403 5 20 IIBD CCCCC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 1831467762 ZKPCFFFESMEABG-FXAWDEMLSA-N 432.565 4.373 5 20 IIBD COc1cc(C(=O)OCC(=O)N(c2ccccc2)C2CCCCC2)c([N+](=O)[O-])cc1OC 9487357 VEJMIYIOLRJJPW-UHFFFAOYSA-N 442.468 4.135 5 20 IIBD COc1cc(CCNC(=O)c2ccc(COc3ccccc3)cc2)c([N+](=O)[O-])cc1OC 10304966 AIBNIGQFZQWQPL-UHFFFAOYSA-N 436.464 4.164 5 20 IIBD CCNc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1[N+](=O)[O-] 10531166 AQYVMWNUUNEYGV-UHFFFAOYSA-N 445.781 4.494 5 20 IIBD COc1cc(CN(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1OCc1ccccc1 21181741 GPRDWGZPJLJQBU-UHFFFAOYSA-N 442.493 4.003 5 20 IIBD CC[C@@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)Nc1ccc(OC)cc1 23204764 CRHPNGUZTKSGAK-HSZRJFAPSA-N 444.487 4.124 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 24905605 FYVZQILGTJYJAE-UHFFFAOYSA-N 431.876 4.056 5 20 IIBD CCN(CC)C(=O)COc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1Cl 31955888 PUJHQDAUSBVSGL-UHFFFAOYSA-N 440.283 4.401 5 20 IIBD O=C(Nc1ccccc1[N+](=O)[O-])C(=Cc1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] 36280455 MHOVAVVTXHHYBF-UHFFFAOYSA-N 432.392 4.164 5 20 IIBD CCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 57383257 QTGCPRXHUYOCBI-UHFFFAOYSA-N 425.466 4.210 5 20 IIBD CC(C)n1nccc1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 57973271 JMYFKJAZFKYRML-UHFFFAOYSA-N 430.468 4.406 5 20 IIBD COc1ccccc1[C@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)N1CCCCC1 59782495 QTQHCIQNQQYQPO-UWJYYQICSA-N 443.569 4.427 5 20 IIBD COC(=O)c1cc(C(=O)Nc2cc(-c3ccoc3)nn2-c2ccccc2)cc([N+](=O)[O-])c1 65065363 DWSAZBHUJMHIMV-UHFFFAOYSA-N 432.392 4.079 5 20 IIBD Cc1ccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1Br 71845726 KTDSZTWRWSTLJF-UHFFFAOYSA-N 448.302 4.198 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccc(N(C)C)c(Cl)c3)cc2)c(C)c1[N+](=O)[O-] 108071329 SPEMZDSMUPZDSH-UHFFFAOYSA-N 427.892 4.428 5 20 IIBD Cn1cc(CNCc2ccnc(OCc3ccccc3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 237782195 MKUNPKNTVFNWDN-UHFFFAOYSA-N 429.480 4.259 5 20 IIBD C[C@@H]1Oc2ccc(C(=O)C3CCN(c4ccc(Cl)cc4[N+](=O)[O-])CC3)cc2NC1=O 301149392 LUMHRLZMEIVVNR-LBPRGKRZSA-N 429.860 4.067 5 20 IIBD O=c1c(Cl)c(N[C@@H]2CCO[C@H](c3ccccc3)C2)cnn1-c1ccc([N+](=O)[O-])cc1 302157638 FUYCHWKHQDWOTR-BEFAXECRSA-N 426.860 4.126 5 20 IIBD CCn1c([C@@H]2CCCN2C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)nc2ccccc21 303122164 NJQJCKFBEAEXQD-NRFANRHFSA-N 430.468 4.127 5 20 IIBD COc1cc(C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)c([N+](=O)[O-])cc1OC 410394378 AGNNIGUXCXGZDL-UHFFFAOYSA-N 434.754 4.459 5 20 IIBD COc1ccccc1[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccco1 426970366 DOGALAQFSXYMSW-GOSISDBHSA-N 431.242 4.478 5 20 IIBD CC(C)(C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1)c1ccccc1[N+](=O)[O-] 429809277 NVILLTFUIYNBLQ-OAHLLOKOSA-N 446.345 4.278 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccccc2C)C(C)(C)C)cc1OC 430519668 LCDCTZLLRNYTDZ-NRFANRHFSA-N 430.501 4.454 5 20 IIBD O=C(Nc1ccc(C(=O)NC2CCCC2)cc1)c1cc(Br)cc([N+](=O)[O-])c1 431444937 LUVOKYOCPOGMMX-UHFFFAOYSA-N 432.274 4.282 5 20 IIBD CS(=O)(=O)Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)o1 435448521 XHOMBCWMICJBJV-UHFFFAOYSA-N 438.508 4.197 5 20 IIBD C[C@H]1C[C@H](C)CN(CCCCNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 436009207 WOAJVLOWRIFFBH-HOTGVXAUSA-N 441.522 4.447 5 20 IIBD CCOC(=O)c1ccc(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1 436147021 CIEOEPMVHATPRU-UHFFFAOYSA-N 436.414 4.066 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1ccc(Oc2ccccn2)cc1 438653778 FVKGUEKLODOUNP-UHFFFAOYSA-N 434.452 4.158 5 20 IIBD Cc1cc(N2CCN(c3cncc4ccccc34)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 439130165 DOBVFNVOCGXTRG-UHFFFAOYSA-N 426.480 4.235 5 20 IIBD Cc1nc(NC(=O)c2ccc(COc3cccc(Br)c3)o2)ccc1[N+](=O)[O-] 440410039 WEOXDUZFHPQINC-UHFFFAOYSA-N 432.230 4.485 5 20 IIBD O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 440617915 LVYKKWHURJYZQO-QFIPXVFZSA-N 440.459 4.643 5 20 IIBD Cc1c(NC(=O)C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)cccc1[N+](=O)[O-] 442233784 FMQLMKDFPSFFDQ-UHFFFAOYSA-N 435.402 4.099 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccc(Oc2ccccc2F)c(F)c1 442265334 UGNWJHZDCWVWJG-UHFFFAOYSA-N 441.390 4.229 5 20 IIBD O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 443569012 TZQXAVSVPXXFTR-JOCHJYFZSA-N 428.448 4.056 5 20 IIBD COc1cc([C@@H](C)NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)ccc1OCCC(C)C 443693688 PVYMDVALBHVZNF-MRXNPFEDSA-N 436.530 4.209 5 20 IIBD COc1ccc(NC(=O)CN[C@@H](C)c2cccc(OCc3ccccc3)c2)c([N+](=O)[O-])c1 444711955 YNDWHBZPDGZOCA-KRWDZBQOSA-N 435.480 4.472 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(CCc3nc(-c4ccc(Cl)cc4)no3)n2)c1 445576111 VPEICQNEKYRJPC-UHFFFAOYSA-N 441.831 4.066 5 20 IIBD CCS(=O)(=O)c1ccc(-c2noc(-c3csc(-c4cccc([N+](=O)[O-])c4)n3)n2)cc1 445594903 YBMQAZXXQRJEMP-UHFFFAOYSA-N 442.478 4.229 5 20 IIBD Cc1nnc(-c2cccc(Nc3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])c2)n1C 447669275 FWEKUZVHLIBFON-UHFFFAOYSA-N 428.321 4.491 5 20 IIBD Cc1nn(C)c(C)c1C[C@@H](C)C(=O)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 460121626 RQYVAHDKTROQHE-CQSZACIVSA-N 448.483 4.208 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(C(=O)Nc2cccnc2)cc1 461681314 GKYNZKYKRWJECU-OAHLLOKOSA-N 436.493 4.039 5 20 IIBD CS(=O)(=O)c1cccc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)c1 464367774 RQSUEXZKRRJHJY-HXUWFJFHSA-N 444.896 4.171 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1Cc2ccccc2[C@H](c2ccccc2)C1 465035489 PJXMMGMECBXKQP-NRFANRHFSA-N 430.460 4.083 5 20 IIBD O=C(NCc1csc(Br)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465662122 MFKAFWWGHWWIEV-UHFFFAOYSA-N 440.319 4.172 5 20 IIBD Cc1cc(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1I 466438010 GTEYYXAZNJDAIC-UHFFFAOYSA-N 430.629 4.091 5 20 IIBD CS(=O)(=O)c1ccc(CNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)s1 470357050 XCXHMNPTJAJBPK-UHFFFAOYSA-N 447.494 4.174 5 20 IIBD COC(=O)c1nc([C@@H]2CCCN2Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)sc1C 471024652 CDANEQAMAUMCGJ-INIZCTEOSA-N 428.470 4.138 5 20 IIBD COc1ccc(C(=O)[C@H](C)Sc2nc3cc4ccccc4cc3c(=O)n2C)cc1OC 477097500 UYZFCFZAJOVCRM-AWEZNQCLSA-N 434.517 4.467 5 20 IIBD C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CC1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 478413956 FBJMWPKDAIKGRP-CYBMUJFWSA-N 442.903 4.377 5 20 IIBD COc1ccccc1[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C)N(C)C 478965937 YWQPVBQMJMRLCB-IBGZPJMESA-N 431.558 4.384 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1SC 482735725 VAXZCCXBWZAQLQ-LBPRGKRZSA-N 444.513 4.100 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3C[C@H](C)O[C@]4(CCCOC4)C3)cc2[N+](=O)[O-])cc1 482967486 YJHFGXRMQOHBHD-GAJHUEQPSA-N 442.537 4.465 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(C)CCCc2cc(-c3ccccc3)n[nH]2)cc1SC 484656456 QKHOCFMXLPIQKA-UHFFFAOYSA-N 440.525 4.420 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 486341942 FSYPFPYKIAUDAW-HXUWFJFHSA-N 431.876 4.012 5 20 IIBD CCC1(C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)CCOCC1 487704055 PJUVNYRCDSLEBO-UHFFFAOYSA-N 443.569 4.174 5 20 IIBD CCOC(=O)[C@@H](Cc1ccccc1)Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC 489436616 YEMCNYJBRLXYRV-GOSISDBHSA-N 426.498 4.140 5 20 IIBD C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(NC(=O)c2ccc(F)cc2)cc1 491254410 JZSBTIMYHRYDCA-ZDUSSCGKSA-N 447.426 4.354 5 20 IIBD CCN(CC)C(=O)COc1cccc(NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 493235191 HLADVNFBKXRAMY-MRXNPFEDSA-N 428.489 4.033 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCc3ccc(C(C)C)cc32)cc1OC 494241001 IKCUNEBVPBXCPM-LJQANCHMSA-N 428.485 4.169 5 20 IIBD COc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)N2CCCCC2)cc1 497777183 XNXQVEIJIRAQDW-QFIPXVFZSA-N 434.496 4.109 5 20 IIBD COc1cc(C(=O)N2CCCc3ccccc3C2)c([N+](=O)[O-])cc1OCc1cscn1 498554567 METMJFXXDRYXOA-UHFFFAOYSA-N 439.493 4.228 5 20 IIBD C[C@@H]1CCC[C@H](OCCCCCC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 499849848 ZIVKBBIJAAMOBN-KNQAVFIVSA-N 445.560 4.035 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)cc1OC 503997344 LAYKXRGZQKJQCG-UHFFFAOYSA-N 428.363 4.208 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)cc1SC 504035348 PZBPHPXUESCOTH-UHFFFAOYSA-N 445.324 4.267 5 20 IIBD COc1ccc([C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C(F)(F)F)cc1 505402739 LONCFFSQDHGZRR-KRWDZBQOSA-N 432.782 4.446 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 506197808 AZWNMGZGGMIXNP-CALCHBBNSA-N 435.590 4.058 5 20 IIBD CCOc1cc(CNCC2CCC2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 507913788 NEEBBXLYVURHPO-UHFFFAOYSA-N 428.485 4.329 5 20 IIBD O=[N+]([O-])c1cccc(OC[C@@H](O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c1 508552541 NFHAXBZJLGNDCM-HXUWFJFHSA-N 448.504 4.375 5 20 IIBD CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(Br)cc1C(F)(F)F 513814915 JTPHEECYNKQEQL-UHFFFAOYSA-N 439.209 4.201 5 20 IIBD COc1cc(Cc2noc(-c3cnc4onc(C(C)(C)C)c4c3)n2)c([N+](=O)[O-])c(OC)c1 515764843 NSPMMFQIHVZEPR-UHFFFAOYSA-N 439.428 4.087 5 20 IIBD COc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c(OC)cc1NC(=O)c1ccccc1 517554239 MEAOIWORTCHVIV-UHFFFAOYSA-N 439.399 4.256 5 20 IIBD NC(=O)c1ccc(N2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)c([N+](=O)[O-])c1 518814627 AQNDRFITHFLHQV-UHFFFAOYSA-N 449.442 4.040 5 20 IIBD CCCCS(=O)(=O)c1ccc(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)cc1 520890003 APEOZVWJLWOOKH-UHFFFAOYSA-N 440.481 4.291 5 20 IIBD O=C(N[C@H]1CCCN(c2cccc(F)c2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 522515830 OGDMHCBNXZJOKW-INIZCTEOSA-N 426.473 4.256 5 20 IIBD COc1cc(C(=O)Nc2ccc(Oc3ccc(S(C)(=O)=O)cc3)cc2)ccc1[N+](=O)[O-] 522535170 TZGKIHZABIFGET-UHFFFAOYSA-N 442.449 4.052 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)NCC1CCOCC1 522763730 QOHVYOMWDRKKMQ-UHFFFAOYSA-N 437.855 4.405 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)N1CCC[C@H](CO)C1 522770402 XGHVRLCPOFAZRO-AWEZNQCLSA-N 437.855 4.094 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N(Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@@H](C)[C@H]1C 523414891 OKAKGVSHPUGTHW-GPMSIDNRSA-N 442.516 4.072 5 20 IIBD CC(C)[C@@H](NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C(=O)N1CCOCC1 530735892 UYRZORCRSODCCD-OAQYLSRUSA-N 447.919 4.014 5 20 IIBD Cc1ccc(Cn2cccc(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)c2=O)cc1 533142545 IQNSETQMVOXQLW-UHFFFAOYSA-N 446.488 4.489 5 20 IIBD CCOC(=O)c1cc2cc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)ccc2s1 533601962 KRHLIABZUMEKTK-UHFFFAOYSA-N 428.422 4.010 5 20 IIBD CC(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 533760902 GVZONFPEIZFLAA-GOSISDBHSA-N 449.866 4.197 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 534729448 XGOFMQLSSBULJQ-UHFFFAOYSA-N 429.358 4.462 5 20 IIBD Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534795685 KNBBQFWUSQDCKH-OSXTUODASA-N 447.900 4.488 5 20 IIBD O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1 534970182 TUJNSXCDJOYWKY-UHFFFAOYSA-N 427.166 4.068 5 20 IIBD CNC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c(Cl)c1 535691143 ZWNUEHRBFJNTDE-UHFFFAOYSA-N 438.871 4.472 5 20 IIBD Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NCCc1cccc([N+](=O)[O-])c1 536237216 FGSUKWPZUKLWGF-UHFFFAOYSA-N 443.301 4.132 5 20 IIBD COc1cc(CN2CCO[C@H](c3ccccc3F)C2)c([N+](=O)[O-])cc1OCC(F)(F)F 537636859 FHFSRXRWYRDDGN-IBGZPJMESA-N 444.381 4.257 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c1 539523471 VOAQGHDPBAGWDG-ZHRRBRCNSA-N 449.910 4.274 5 20 IIBD COc1ccc(-c2nc(CC(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3O)cs2)cc1OC 540848266 XVRQPVCMKNGTOM-UHFFFAOYSA-N 449.872 4.276 5 20 IIBD COc1cc(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])ccc1OC(F)F 541267393 DXENXDGXLRUVEL-UHFFFAOYSA-N 432.832 4.267 5 20 IIBD Cc1cc(C(=O)NCC(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)ccc1[N+](=O)[O-] 542020442 CQFJOBSQXMOPML-UHFFFAOYSA-N 440.843 4.112 5 20 IIBD Cc1nc(N(C)C[C@H](C)c2nccs2)nc(N(C)C[C@@H](C)c2nccs2)c1[N+](=O)[O-] 542258504 VOUBZZVMQNAXBI-OLZOCXBDSA-N 447.590 4.086 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(C)C)cc1[N+](=O)[O-] 543923652 XOBDQROVOHFYQM-KRWDZBQOSA-N 439.390 4.074 5 20 IIBD C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1OCc1ccccc1 544573864 ZQDVGFHNXZMBNM-SFHVURJKSA-N 440.521 4.298 5 20 IIBD Cc1ccccc1OCc1noc(-c2ccc([N+](=O)[O-])cc2I)n1 545012302 DNMBTNVPOIXJNC-UHFFFAOYSA-N 437.193 4.137 5 20 IIBD Cc1cc(-c2noc([C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)ccc1-n1cncn1 546476161 NNQWPHQPHNSMFX-LBPRGKRZSA-N 426.820 4.327 5 20 IIBD O=[N+]([O-])c1ccccc1OCc1nc(Cc2c[nH]c3cccc(Br)c23)no1 547195580 QHBVZHJAKPWRNG-UHFFFAOYSA-N 429.230 4.391 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] 551733450 CXMXUNRNOMNFAM-QZTJIDSGSA-N 445.903 4.428 5 20 IIBD Cc1c([C@@H](C)NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)oc2ccccc12 551742253 OPZLAILXYHWLRX-LLVKDONJSA-N 446.257 4.228 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)Nc2cccc(OCC(F)(F)F)c2)cc1[N+](=O)[O-] 551749086 CXQPSFZHBOIWMV-UHFFFAOYSA-N 439.390 4.411 5 20 IIBD CC[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(OC)c(OC)c1 552640801 XBBOMWJBCVSAJP-SFHVURJKSA-N 427.501 4.096 5 20 IIBD O=C(NCc1c(F)cccc1N1CCCC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 560709464 ZSHNJHHMKJBZKY-UHFFFAOYSA-N 441.381 4.205 5 20 IIBD C[C@H](C(=O)N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1ccc([N+](=O)[O-])cc1F 561427981 IMLSPLVOHDDPKG-RBZFPXEDSA-N 440.393 4.374 5 20 IIBD CC(=O)c1cccc(NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)c1O 567546541 UYFYXHJQSVKEJJ-UHFFFAOYSA-N 447.447 4.052 5 20 IIBD CC(C)[C@]1(CO)CCCN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 572315629 SERUOURPLQYRPC-GAJHUEQPSA-N 426.517 4.034 5 20 IIBD COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1NC(=O)C1CCCCC1 581450831 BJLAGWKMYGMKAF-UHFFFAOYSA-N 447.513 4.231 5 20 IIBD C[C@@H]1Sc2ccc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)cc2NC1=O 601908641 MVEMKDMVDJOJTC-JTQLQIEISA-N 426.479 4.403 5 20 IIBD COc1cc(F)ccc1NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 603657804 MLUPIGLTUBDLBI-UHFFFAOYSA-N 442.369 4.115 5 20 IIBD COc1ccc(CSc2nnc([C@H](C)N(C)C)n2-c2ccc(F)cc2)cc1[N+](=O)[O-] 603722074 AAZVAOHODBDNLI-ZDUSSCGKSA-N 431.493 4.238 5 20 IIBD CSc1nnc(CCCNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1CC(C)C 604485804 VAQJYDOBDZUJSZ-UHFFFAOYSA-N 433.578 4.224 5 20 IIBD CCCc1[nH]nc(C(=O)Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)c1[N+](=O)[O-] 609476845 IDSSZLXRWMVHSV-UHFFFAOYSA-N 447.495 4.045 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 609647023 QGDCVEHUKFXGTE-CQSZACIVSA-N 425.432 4.101 5 20 IIBD Cn1cnc([N+](=O)[O-])c1Sc1nc2scc(-c3ccccc3Cl)c2c(=O)n1C 610337740 PNPAKSBWWGAZQL-UHFFFAOYSA-N 433.902 4.108 5 20 IIBD COc1cccc(OC)c1Oc1ccc(CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)cn1 617701697 VKYWFRLYJVTKRU-OAHLLOKOSA-N 437.452 4.219 5 20 IIBD CN(CCCCCc1cc(-c2ccccc2)no1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 725838422 WZYRXFXHDLECBQ-UHFFFAOYSA-N 447.488 4.422 5 20 IIBD CCSc1ccc(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cn1 727800124 RRSKAAOLTNAXKL-SFHVURJKSA-N 443.525 4.344 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)cc1 727987439 JVABLNDQEYPTDU-SFHVURJKSA-N 449.479 4.324 5 20 IIBD O=[N+]([O-])c1ccc([C@H](O)CNCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 730100864 WLDRCFFWXVSULZ-HSZRJFAPSA-N 432.455 4.410 5 20 IIBD CN(C)c1ccc(Cl)cc1NC(=O)c1ccc(I)c([N+](=O)[O-])c1 730468342 QFKAIGCNZSIFKJ-UHFFFAOYSA-N 445.644 4.171 5 20 IIBD C/C(=C/C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Cl 730703658 ISBVACAQMBAFQT-KGAUPUERSA-N 428.872 4.500 5 20 IIBD CC(C)(C)Cc1nc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)ccc2o1 731198841 JEMHINPWUORIHY-UHFFFAOYSA-N 438.484 4.414 5 20 IIBD CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])cc2C1 732026653 CYFCSJGHRQTGJU-UHFFFAOYSA-N 433.411 4.419 5 20 IIBD CCS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2cc([N+](=O)[O-])ccc2OC)c1Cl 732370654 WWBJWKQKIXUVOG-UHFFFAOYSA-N 448.280 4.061 5 20 IIBD COc1ccc([N+](=O)[O-])cc1OC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 732643198 VHOUAXYALMMTIE-QGZVFWFLSA-N 434.448 4.214 5 20 IIBD CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 734139039 GVCNYUINTFHBFF-QHCPKHFHSA-N 448.564 4.254 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1 735025917 AHOSUGYPAHBCDH-NDEPHWFRSA-N 440.518 4.116 5 20 IIBD CC(C)[C@@H](OC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1F 735149214 QKVGGRXTLSQGKM-LJQANCHMSA-N 438.839 4.363 5 20 IIBD O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C1c2ccccc2Oc2ccccc21 735333693 KXHXIFRAXZXKNQ-UHFFFAOYSA-N 446.415 4.374 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)cc1[N+](=O)[O-] 742027985 MVCABYPKHDLYSL-UHFFFAOYSA-N 449.504 4.248 5 20 IIBD O=C(c1ccc(Cl)cc1F)N1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 742400539 ZZDHUAVNYPAVEZ-UHFFFAOYSA-N 442.672 4.112 5 20 IIBD Cc1ccc([C@@H]2OCCC[C@H]2CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])cc1 742431503 ZJRWTEKMCUZJBX-KXBFYZLASA-N 440.468 4.479 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)/C=C(\C)c1ccc(C(F)(F)F)cc1 748390686 LOLFDSWWLUGHIM-FMIVXFBMSA-N 438.358 4.207 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Br)cc2)C[C@H](C)O1 751117068 NVMWIIXUJGITPV-STQMWFEESA-N 434.290 4.223 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCCc2cc(OC(F)(F)F)ccc21 751268862 GWGBYKVFINODMC-UHFFFAOYSA-N 436.795 4.288 5 20 IIBD O=C(COC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2)Nc1ccc(F)c([N+](=O)[O-])c1 751709790 DZFIPOLDHHTRPN-ORMMXULVSA-N 444.381 4.365 5 20 IIBD COc1ccc2nc(C3CC3)cc(C(=O)OCc3nc(-c4cccc([N+](=O)[O-])c4)no3)c2c1 751822890 ISTHGPRQMFMCDE-UHFFFAOYSA-N 446.419 4.436 5 20 IIBD Cc1ccc(OC(=O)CCc2nc(O)c3c4c(sc3n2)C[C@@H](C)CC4)cc1[N+](=O)[O-] 755357996 JMZJVSNYBBQDSM-NSHDSACASA-N 427.482 4.277 5 20 IIBD O=C(N[C@H]1CCCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1)c1cc2ccccc2o1 755579460 STXUUYKZQHDLDQ-HNNXBMFYSA-N 427.844 4.029 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CCCc1cc(Cl)sc1Cl 756512075 LKIXOOIRVZDJAG-UHFFFAOYSA-N 447.296 4.476 5 20 IIBD C[C@H](OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)Nc1ccc(Cl)cc1Cl 758742306 YOXNJGIMQJFJLM-JTQLQIEISA-N 436.251 4.496 5 20 IIBD CC(C)c1ccc(C[C@H]2CCN(Cn3nc(-c4cccc([N+](=O)[O-])c4)ccc3=O)C2)cc1 763392431 HNHTXJWFUNAVPD-HXUWFJFHSA-N 432.524 4.464 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](O)c1c(Cl)cccc1Cl 764341058 OMEQREVWRCPGTD-HNNXBMFYSA-N 445.324 4.104 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)OCc2nc(-c3cc(F)c(F)c(F)c3)no2)c1 767982875 YTCOKMSYUXMJIC-UHFFFAOYSA-N 425.344 4.141 5 20 IIBD O=C(OCc1nc(-c2ccc(F)c(F)c2)no1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 768037278 XVTYACJZXKIYRS-UHFFFAOYSA-N 429.257 4.299 5 20 IIBD Cc1ccc(Cc2nc(C(=O)OCc3nc(-c4ccc([N+](=O)[O-])cc4)no3)cs2)cc1 768659824 YCLDZBDYEKVXAR-UHFFFAOYSA-N 436.449 4.358 5 20 IIBD O=C(Nc1ccc(OS(=O)(=O)c2cnc3ccccc3c2)cc1)c1cccc([N+](=O)[O-])c1 770217851 MDDVBKAWFZBTFB-UHFFFAOYSA-N 449.444 4.163 5 20 IIBD Cn1ccnc1[C@H](O)[C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 770333035 VQUDACBAWSILIE-VBKZILBWSA-N 430.892 4.187 5 20 IIBD COc1ccc(NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1N1CCCCC1=O 770490255 TVTQFOLFMURJDG-UHFFFAOYSA-N 435.484 4.133 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)/C=C\c1nc2ccccc2s1)c1ccccc1[N+](=O)[O-] 771582493 SMOIAQGSBPFHNM-WFTPILKQSA-N 439.493 4.417 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)ccc1NC(=O)OC(C)(C)C 772284795 AZVAXEVKZFXLFM-UHFFFAOYSA-N 447.419 4.185 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cnn(-c3ccc(Br)cc3)c1)CC2 773996210 JFSDHQYPVXHFBM-UHFFFAOYSA-N 427.258 4.054 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)O[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c1 776390788 ZBNSJEWNWBLJEK-SFHVURJKSA-N 436.386 4.270 5 20 IIBD C[C@H]1[C@@H](C)N(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1C(=O)OC(C)(C)C 776514118 UYGGDWAUMXFHSM-KGLIPLIRSA-N 446.529 4.188 5 20 IIBD CSc1ccc(N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(Br)cc2C)cc1 777631204 ZYNRUPJADWJXEK-UHFFFAOYSA-N 431.333 4.213 5 20 IIBD O=C1[C@@H](NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCN1c1ccc(Cl)c(Cl)c1 779176552 SAZMZQAEQTYFEW-FQEVSTJZSA-N 449.338 4.266 5 20 IIBD CC[C@](C)(CCCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C1OCCO1 780823417 OEFFCYYXWKWMFD-XMMPIXPASA-N 444.478 4.259 5 20 IIBD O=C(NCc1ccccc1COCc1ccccc1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781613415 ASGHXQZEGWLBSH-XMMPIXPASA-N 445.475 4.121 5 20 IIBD O=C(NCc1cccc(COc2ccccc2)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 782458158 NOHVOPAOGBCXDS-UHFFFAOYSA-N 439.855 4.082 5 20 IIBD C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 784081616 FHWYCPZJUTXCSJ-CHWSQXEVSA-N 443.953 4.102 5 20 IIBD O=C(Nc1cccc(NC(=O)C2CCCCC2)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 785153381 RDMUFSFDRXVNOI-UHFFFAOYSA-N 444.875 4.344 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)O[C@H](C)c3ccncc3)cc2)cc1[N+](=O)[O-] 785545214 TZSOJNDOENTMFS-OAHLLOKOSA-N 441.465 4.017 5 20 IIBD O=C(O[C@H]([C@H]1CCCOC1)C(F)(F)F)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 791016621 KLMMVZUTOQEZOZ-TVQRCGJNSA-N 431.285 4.050 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N3CCC(F)(F)CC3)c([N+](=O)[O-])c2)c(C)c1 795275156 YOZRLFITNFHRET-UHFFFAOYSA-N 425.457 4.248 5 20 IIBD COc1c(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cccc1[N+](=O)[O-] 796308901 GZGFOCRPWJFLBQ-VIFPVBQESA-N 446.765 4.460 5 20 IIBD COc1ccccc1-n1ncc(C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1C 798792194 HGQPARVQFAUXQN-UHFFFAOYSA-N 434.408 4.110 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCCNC(=O)/C=C/c1ccccc1 800358473 JHDSZFXJYVNPOS-FMIVXFBMSA-N 427.526 4.045 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 801895206 GPKUSFTVFXNZHP-QFYYESIMSA-N 444.337 4.203 5 20 IIBD O=C(OCc1c(F)cc([N+](=O)[O-])cc1F)c1cccc(S(=O)(=O)Cc2ccccc2)c1 803342876 OTQBHTWZUKQTHX-UHFFFAOYSA-N 447.415 4.204 5 20 IIBD Cc1ccc([C@H](O)[C@H](C)NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cc1 804470705 CDJHYKXVELFQGB-MGPLVRAMSA-N 427.682 4.171 5 20 IIBD COCCCONC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 805043265 GZCFMAAJPAZXJB-DTQAZKPQSA-N 427.482 4.220 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCC[C@H]1CCNC(=O)OC(C)(C)C 805764953 IDJOXSCYKWUYKP-KRWDZBQOSA-N 434.537 4.001 5 20 IIBD C[C@H](Cc1nc2ccccc2s1)NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl 809395373 KYRMMOPBIPOSFZ-SECBINFHSA-N 446.337 4.421 5 20 IIBD CC[C@H]1[C@H](c2nc(Cc3cc(OC)ccc3[N+](=O)[O-])no2)CCN1C(=O)OC(C)(C)C 810309634 ZMSASJUPFUSBPJ-CVEARBPZSA-N 432.477 4.080 5 20 IIBD C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811216285 ILMSQHJONPWYSS-CQSZACIVSA-N 435.461 4.277 5 20 IIBD CC(C)C[C@@H](C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCCCC1=O 811220882 SVJYDYJXCLCWDT-SFHVURJKSA-N 431.514 4.189 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 812960276 JKNNISIYUXQJPW-NSHDSACASA-N 432.304 4.279 5 20 IIBD CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)O[C@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)c1 813171834 VNSPTKJYTBYRGE-SFHVURJKSA-N 443.475 4.150 5 20 IIBD O=c1c([N+](=O)[O-])cn(CCCCCn2cc([N+](=O)[O-])c(=O)c3ccccc32)c2ccccc12 813579284 YMHTYAUUJILGFZ-UHFFFAOYSA-N 448.435 4.003 5 20 IIBD CN([C@@H](c1ccccc1)c1ncc[nH]1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 814397533 INNNXYZRDVUDGM-INIZCTEOSA-N 441.296 4.035 5 20 IIBD Cc1nc(C(C)C)ccc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 815349873 YNHZCWQTUJONBG-UHFFFAOYSA-N 425.363 4.236 5 20 IIBD COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c1 819909653 CZGXVBPZGJOKTP-UHFFFAOYSA-N 443.463 4.350 5 20 IIBD COc1ccc(N2C(=O)C3(CCCC3)N[C@H]2c2c(C)ccc([N+](=O)[O-])c2C)cc1OC 877854083 OQVSPDPFZKYVEW-OAQYLSRUSA-N 425.485 4.177 5 20 IIBD C[C@@H](Cc1noc(-c2cc(C(F)(F)F)ccc2[N+](=O)[O-])n1)N(C)C(=O)OC(C)(C)C 904652678 ALBLASDWLLGEOR-JTQLQIEISA-N 430.383 4.462 5 20 IIBD CCOC(=O)Nc1ccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)cc1 915864950 LJKCDEGOQOVMLR-UHFFFAOYSA-N 425.363 4.368 5 20 IIBD O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1)c1csc([N+](=O)[O-])c1 916064475 QSMPDKQFYZNLHS-UHFFFAOYSA-N 427.825 4.363 5 20 IIBD Cc1c(C(=O)NCc2ccccc2CN2C[C@H](C)C[C@@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 916086111 SKPDIWKMNVNXBQ-HZPDHXFCSA-N 440.500 4.219 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCOc1ccccc1Br 917985143 VONULWHDQCQQHV-UHFFFAOYSA-N 427.682 4.438 5 20 IIBD C[C@@H](Nc1ccc(C(=O)OCC(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-])c1ccccn1 920546636 LTPJQQGXXZLMRN-CYBMUJFWSA-N 441.390 4.481 5 20 IIBD O=[N+]([O-])c1ccccc1OCc1nnc(-c2ccc(-n3cc(Br)cn3)cc2)o1 1117191752 OKIZDZXSHVLGSL-UHFFFAOYSA-N 442.229 4.172 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC(Nc2ccccc2Cl)CC1 1318256269 TTXWQYXLJRHTDL-UHFFFAOYSA-N 425.876 4.151 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H]3CCCC[C@@H]3N(C)C)c([N+](=O)[O-])c2)c(C)c1 1321708335 RNSHEOPZHDFCIS-CTNGQTDRSA-N 446.573 4.297 5 20 IIBD Cc1c(-c2nnc([C@@H](C)Oc3cccc(Cl)c3)o2)nnn1-c1cccc([N+](=O)[O-])c1 1326375796 DOMZVDKJZPZIDO-GFCCVEGCSA-N 426.820 4.327 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@H]3CCc4ccoc4C3)cc2)CCC1)c1ccc([N+](=O)[O-])o1 1786213440 JHAZXWGYMGKUOR-INIZCTEOSA-N 449.463 4.334 5 20 IIBD O=C(Cc1ccc(Cl)cc1[N+](=O)[O-])NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]3F)cc2)CCC1 1786584469 FBTXRFZMEGOOIF-MSOLQXFVSA-N 445.878 4.283 5 20 IIBD CC(C)C(=O)Nc1ccc(C2(NC(=O)Cn3ccc4ccc([N+](=O)[O-])cc43)CCC2)cc1 1787636727 FJVKBLKYLSMADX-UHFFFAOYSA-N 434.496 4.340 5 20 IIBD Nc1ccccc1/C=C/C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1 1788069695 BACNMHOKOJKCER-WUXMJOGZSA-N 446.463 4.231 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC2(CCCN(C(=O)c3sccc3F)C2)CC1 1806317990 JJTITBDOFVWDNF-UHFFFAOYSA-N 449.479 4.093 5 20 IIBD CC1(C)CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3ccc([N+](=O)[O-])o3)n[nH]2)C1 1814968831 GIJCBXSNVLOJTQ-DBWMJRBXSA-N 441.488 4.053 5 20 IIBD CCCCC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)[nH]n1 1822008085 MFEWZDAMVCOHCS-PBHICJAKSA-N 430.509 4.168 5 20 IIBD C/C=C/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(F)ccc([N+](=O)[O-])c2C)CC1 1831364818 PJDWBADJELHDDS-JHEFFXGNSA-N 443.519 4.408 5 20 IIBD CC(C)[C@H]1CC[C@H](C(=O)N2CC3(CCCN3C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)CC1 1845404159 WXKHVFROZCMHTC-QAQDUYKDSA-N 431.508 4.013 5 20 IIBD COc1cc(C(=O)Nc2ccc(C(N)=O)cc2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 14830483 BFDKMWDGWUMKKU-UHFFFAOYSA-N 441.827 4.400 5 20 IIBD Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 14896022 APYUTWRYPUZDHS-UHFFFAOYSA-N 444.850 4.313 5 20 IIBD O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 15839709 KCWBCQUDIAZCAM-UHFFFAOYSA-N 446.511 4.432 5 20 IIBD C[C@@H](OC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C(=O)NCc1cccs1 16748838 BXETYNUBNDIWCJ-OAHLLOKOSA-N 439.493 4.130 5 20 IIBD C[C@@H](OC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1nc2ccccc2c(=O)[nH]1 23969500 BCTLQADNDMHLRW-OAHLLOKOSA-N 444.447 4.361 5 20 IIBD CCOc1cc2c(cc1OCC)CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)CC2 24388105 ISDKVSGXENSBBR-UHFFFAOYSA-N 439.512 4.191 5 20 IIBD Cc1nc(CCNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cs1 29549997 RRAUOILZYRHPRP-UHFFFAOYSA-N 447.520 4.114 5 20 IIBD CCOc1ccc([C@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1OCC 58620535 AEJJZRUJHHEILP-OAQYLSRUSA-N 436.530 4.209 5 20 IIBD C[C@@H]1CCCN(Cc2ccc(NC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)cc2)C1 65057501 KUOFMDUFHYPVKN-QGZVFWFLSA-N 433.512 4.480 5 20 IIBD CCN(Cc1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1)C(=O)C(F)(F)F 71891296 BISNXZKWNSCASC-UHFFFAOYSA-N 429.782 4.411 5 20 IIBD Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 107889546 RNQHDOPPGSCGBZ-OAHLLOKOSA-N 441.513 4.219 5 20 IIBD CCN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(Br)cn1 110045032 WNRZFEOAPFYKTM-UHFFFAOYSA-N 433.306 4.022 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H]2CCSc3ccc(F)cc32)ccc1[N+](=O)[O-] 110323744 ZAHNKSHOJLTQRV-IEBWSBKVSA-N 443.500 4.000 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3c(F)cccc3N3CCCC3)cc2)c(C)c1[N+](=O)[O-] 111206998 XXGZZSNUYVHVCK-UHFFFAOYSA-N 437.475 4.448 5 20 IIBD COc1cccc([C@@H](CNc2c([N+](=O)[O-])c(C)nn2C)c2c[nH]c3ccccc23)c1OC 111219916 HFLXZHXVEZFONG-GOSISDBHSA-N 435.484 4.379 5 20 IIBD O=C(Nc1nc(CN2CCCCC2)cs1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 215802190 RQXUOXLIUNTBRZ-UHFFFAOYSA-N 429.527 4.413 5 20 IIBD Cc1ccc(-c2nc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)sc2C)cc1 248058204 CMYBSMULXXOKRG-UHFFFAOYSA-N 438.509 4.424 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(N2CCC(c3nc4ccccc4s3)CC2)c1[N+](=O)[O-] 301071169 FMQBGJWQLXELKU-UHFFFAOYSA-N 428.470 4.297 5 20 IIBD O=c1c(Cl)c(N2CC[C@@H](c3c(F)cccc3F)C2)cnn1-c1ccc([N+](=O)[O-])cc1 302233984 ZMQINGASQVFLJE-GFCCVEGCSA-N 432.814 4.066 5 20 IIBD Cc1sc2nc(S[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)n(C)c(=O)c2c1C 302639997 OCBBXSXJCRYETF-LLVKDONJSA-N 443.510 4.423 5 20 IIBD COc1cc(C(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OC(F)F 409565058 HJUDAUDARGHZLZ-KUHUBIRLSA-N 436.411 4.103 5 20 IIBD CC(C)n1cnnc1C1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 426400951 FBBHPHJELJNLMY-UHFFFAOYSA-N 449.511 4.366 5 20 IIBD O=C(O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(-c2cccc(Br)c2)o1 426785172 WARQHMFQOYKBPI-SFHVURJKSA-N 445.269 4.403 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1I 426856940 DTQWPJFMHZLSGX-UHFFFAOYSA-N 443.216 4.169 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCc3ccc4c(c3)COC4)cc2[N+](=O)[O-])n1 432719041 RUVASLURGNJWPJ-UHFFFAOYSA-N 427.507 4.471 5 20 IIBD Cc1cc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)n([C@H]2CCN(Cc3ccccc3)C2)n1 435277859 CTVYCHLBFDKMLR-QFIPXVFZSA-N 447.539 4.463 5 20 IIBD COc1ccc(-c2ncc(C(=O)N3CCCc4ccc([N+](=O)[O-])cc43)s2)cc1OC 435865247 PCMDGKXUKPKZCD-UHFFFAOYSA-N 425.466 4.329 5 20 IIBD CC(=O)N1CCN(Cc2ccccc2NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 436420185 YNPYCHAKMSKKCF-UHFFFAOYSA-N 434.496 4.131 5 20 IIBD O=C(N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccc(O)c([N+](=O)[O-])c1 436980855 ABAPOGWSAFLVQD-KRWDZBQOSA-N 442.269 4.172 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)Nc2ccc(-c3cnco3)cc2)cc1[N+](=O)[O-] 438811765 MTHMVFZZOUSSLH-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 441079666 LRVZDLVDSUOBGE-LBPRGKRZSA-N 428.436 4.197 5 20 IIBD C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 443933835 AYFJUOHXORNZEM-INIZCTEOSA-N 443.459 4.077 5 20 IIBD COc1cccc(NC2CCN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CC2)c1 444076992 AVNOWWPQOXZACD-UHFFFAOYSA-N 427.504 4.407 5 20 IIBD COCCCOc1cc(C)ccc1CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 444231518 GCGCWPAVRJXLMP-UHFFFAOYSA-N 430.504 4.335 5 20 IIBD Cc1nc(-c2ccc([C@@H](C)NC(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)cc2)cs1 444848034 KQBPQHRVIPTXRI-GFCCVEGCSA-N 436.497 4.463 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N(CCCOc1ccccc1)C1CCOCC1 444933063 YZCKWAPMSRDSAT-UHFFFAOYSA-N 429.473 4.085 5 20 IIBD CC(C)CNC(=O)Cc1noc(-c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1 445434869 BTEBFXZUDLYSBJ-UHFFFAOYSA-N 430.848 4.405 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1nc([C@H]2COc3ccccc3O2)no1 445479305 GZSMKBMBQNAJNY-MRXNPFEDSA-N 436.346 4.164 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(-c3cccc(S(=O)(=O)Nc4ccc(F)cc4)c3)n2)s1 445480337 JKEIKPLAJAOSQP-UHFFFAOYSA-N 446.441 4.313 5 20 IIBD CCS(=O)(=O)c1ccc(-c2noc([C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 445602531 VFLWKYQGVJZXHP-LLVKDONJSA-N 437.861 4.232 5 20 IIBD O=C(Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])c1cnc(-c2ncccn2)s1 446425415 KDKGKZIOOZBURS-UHFFFAOYSA-N 433.449 4.340 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cnn(-c2ccccc2F)c1 447400766 RMGHTQWCVOGIGP-UHFFFAOYSA-N 431.232 4.027 5 20 IIBD Cn1ccc([C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2)n1 460211036 DDHHQHXQKZBVSE-IBGZPJMESA-N 427.892 4.306 5 20 IIBD Cc1nc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)nn1-c1ccccc1C(C)C 460357162 RCLURGRYDOCJOI-QFIPXVFZSA-N 437.525 4.495 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(=O)N2CCSCC2)cc1C 462496303 QMCHVUQNGXPSBD-SFHVURJKSA-N 441.553 4.300 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNCc1cc(Br)cc(Br)c1N 463236742 IVDJIPAROHJSKB-UHFFFAOYSA-N 445.111 4.000 5 20 IIBD CC(C)(C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1)n1cc([N+](=O)[O-])cn1 463536866 IPKWCZUFOZSZCM-UHFFFAOYSA-N 445.838 4.210 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 464028844 QAJQIJZBKGPDAU-UHFFFAOYSA-N 445.475 4.068 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 464181340 MOWQMOHYVOTUAW-CYBMUJFWSA-N 440.843 4.193 5 20 IIBD CCC(=O)N1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C1 466542731 BNNWTQVJGQOHJJ-HNNXBMFYSA-N 433.917 4.140 5 20 IIBD Cc1ccc(F)cc1-c1nnc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)s1 469884726 PSCQLMUQGJXJBD-UHFFFAOYSA-N 441.488 4.416 5 20 IIBD O=C(N[C@@H]1CCCC[C@H]1n1cccn1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 470679465 ALPUWYMDHSBUCU-NVXWUHKLSA-N 449.298 4.198 5 20 IIBD Cc1cc(N2CCSCC2)ccc1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 477626081 YZIUOJBSBPCPGP-UHFFFAOYSA-N 434.949 4.474 5 20 IIBD Cc1ccc(I)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl 478645309 KGGIAJABOKWHNS-UHFFFAOYSA-N 430.629 4.342 5 20 IIBD O=C(Nc1cnn(-c2ccc(Cl)cc2)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 479289106 VORUHPNPCYDWOD-UHFFFAOYSA-N 425.876 4.289 5 20 IIBD Cc1c(NC(=O)N2CCO[C@H](c3ccc(F)c(Br)c3)C2)cccc1[N+](=O)[O-] 479820870 WHLAKBXPOMGHPD-KRWDZBQOSA-N 438.253 4.410 5 20 IIBD Cn1nc([N+](=O)[O-])cc1C(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCC2 481859913 BGMUJVOUYSMWAZ-UHFFFAOYSA-N 425.495 4.408 5 20 IIBD CC(C)[C@@H]1CC[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@H](Cc2ccc(Cl)cc2)C1 482330627 DYPJQPDKMUNDEE-GGPKGHCWSA-N 445.947 4.210 5 20 IIBD CNC(=O)c1cc(Oc2cc(C)ccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccn1 483104044 LWAFIMVKXPZOQV-UHFFFAOYSA-N 440.843 4.356 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)cc1SC 483408177 NZDBBRLHRHSXRI-UHFFFAOYSA-N 443.525 4.384 5 20 IIBD Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)c1 483827029 YSJWLPBORRKWSR-UHFFFAOYSA-N 441.431 4.121 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCCN(CC(F)(F)F)CC1 484413562 DCRLVWQMHRPDLS-UHFFFAOYSA-N 439.459 4.456 5 20 IIBD COc1ccc(Br)c(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 485405707 HRKZPYJIIYJJCA-UHFFFAOYSA-N 434.290 4.240 5 20 IIBD C[S@@](=O)c1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1F 485890681 TUZNYAQRAPBBPA-SSEXGKCCSA-N 428.441 4.303 5 20 IIBD CCc1cc(N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 486018999 QZEHVOPNZGILQL-CVDCTZTESA-N 432.528 4.138 5 20 IIBD COc1c(F)cc(S(=O)(=O)Nc2cccc(COC(C)(C)C)c2C)cc1[N+](=O)[O-] 488225175 BRLRASVTSGVCFF-UHFFFAOYSA-N 426.466 4.167 5 20 IIBD C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 488755282 SFCRQJWVGAYTSK-LBPRGKRZSA-N 436.394 4.258 5 20 IIBD CNC(=O)c1ccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc1Cl 489986499 ZYNAGQNSQOJVSR-KBPBESRZSA-N 444.919 4.342 5 20 IIBD CCOc1cc(CSc2nc(CN3CCOCC3)nc3ccccc23)ccc1[N+](=O)[O-] 492155528 WJESNSHHTVRSRM-UHFFFAOYSA-N 440.525 4.061 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1nc(-c2ccccc2)c(Br)s1 492437403 VKHOCKJKWGJRLZ-UHFFFAOYSA-N 436.291 4.015 5 20 IIBD COCCN(Cc1cc(Br)cs1)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 494544170 DAFYLUDMYOKRCU-GFCCVEGCSA-N 442.335 4.338 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 506266857 FPNUCMKRKISOAK-UHFFFAOYSA-N 436.443 4.028 5 20 IIBD CCc1ccccc1NC(=O)COc1c([N+](=O)[O-])cnc2ccc(Br)cc12 508163126 NSZNBQXUEFVKRO-UHFFFAOYSA-N 430.258 4.485 5 20 IIBD CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1 509662875 HCCFXZVYVVMCFW-GFCCVEGCSA-N 448.317 4.124 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1ccc2scnc2c1 509871071 HKYAUWAYPLIPSD-UHFFFAOYSA-N 439.234 4.370 5 20 IIBD O=C(NCC1(O)CCCC1)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 510280028 QVHCJFPGGYAQIF-UHFFFAOYSA-N 429.523 4.391 5 20 IIBD O=C(Nc1nc(-c2ccc(F)c(Cl)c2)cs1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 511626218 LACHZLPMIHVCFQ-UHFFFAOYSA-N 444.835 4.344 5 20 IIBD COc1ccc(CN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H](C)C2CC2)c(OC)c1 512539368 CWPQLBKYPYSXMT-CQSZACIVSA-N 444.484 4.070 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)Nc2ccccc2Nc2ccc(F)cc2)cc1[N+](=O)[O-] 513656062 XBMANPNJFXCJLB-UHFFFAOYSA-N 429.429 4.133 5 20 IIBD Cn1ccnc1[C@@H](NCc1ccc(COCC(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 514091523 ZKBBGGQKFDBKLG-IBGZPJMESA-N 434.418 4.286 5 20 IIBD CO[C@@H](C)c1nc(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cs1 514218274 IMZIIWALPCQWLG-LBPRGKRZSA-N 430.452 4.100 5 20 IIBD COc1ccc(CNC(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cc2)cc1[N+](=O)[O-] 516758326 UEZXEKVCOYAGRT-GFCCVEGCSA-N 427.379 4.105 5 20 IIBD CSc1ccc(-c2nsc(NC(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)n2)cc1 517264288 WEPZNKPUYAVDBC-UHFFFAOYSA-N 427.511 4.425 5 20 IIBD COCCN(CCCOc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 518083085 KXHWPBFLSDZULB-UHFFFAOYSA-N 425.844 4.337 5 20 IIBD C[C@H](c1ccccc1Cl)N(C)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 518200214 MXBJQBPPSKNTRZ-SNVBAGLBSA-N 433.711 4.392 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cc(-c2nnc3n2CCCCC3)ccc1F 520864570 CLCHGGNZERQOAC-UHFFFAOYSA-N 439.447 4.126 5 20 IIBD C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)CNc1ccccc1[N+](=O)[O-])OCCO3 520952592 XJHNJZDVMGMJII-INIZCTEOSA-N 437.496 4.193 5 20 IIBD CCOc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2NC(C)=O)c([N+](=O)[O-])cc1OC 521245694 FAGQMPRUBGIAFL-UHFFFAOYSA-N 441.362 4.232 5 20 IIBD CCOCCOc1c(Cl)cccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 521726794 MAZFNPJHLGHYBL-UHFFFAOYSA-N 435.285 4.118 5 20 IIBD O=C(CNC(=O)c1cc(F)cc(F)c1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 522672283 FQWNMPIHXAEKHN-UHFFFAOYSA-N 427.363 4.034 5 20 IIBD CCN(CC)C[C@@H](C)NC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 523662245 MXMMAYSDSUAWFE-OAHLLOKOSA-N 429.542 4.008 5 20 IIBD COc1ccc(CC[C@@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1OC 523824310 ANRFQQAOHHZYEG-SFHVURJKSA-N 448.541 4.096 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(NC(=O)CC(C)C)ccc2Cl)cc([N+](=O)[O-])c1 525069719 JWXDTBVGIXKQDA-UHFFFAOYSA-N 433.848 4.272 5 20 IIBD Cc1cc(NC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)ccc1C(=O)OC(C)(C)C 525903668 IESKXWPLBIKDDH-UHFFFAOYSA-N 427.457 4.053 5 20 IIBD O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1 530445564 YOCMSLZSNNRSQR-NQIIRXRSSA-N 440.475 4.091 5 20 IIBD COc1cc(S(=O)(=O)N(C)[C@@H](c2ccncc2)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] 532094169 DAEURBYOGGQBHI-HXUWFJFHSA-N 447.900 4.062 5 20 IIBD Cc1nn(C)c(C(=O)Nc2cc(Cl)c(OCC(F)(F)F)c(Cl)c2)c1[N+](=O)[O-] 534263137 IZGPTZJBCCFPBZ-UHFFFAOYSA-N 427.166 4.137 5 20 IIBD CC[C@@H]1CN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)c2ccccc2O1 534301505 XDYGLVVHYXXTEW-CQSZACIVSA-N 438.221 4.017 5 20 IIBD Cc1cc(OC[C@@H](O)Cn2cc(Br)c([N+](=O)[O-])n2)c(C(C)C)cc1Cl 534385809 UCJFHTZQYUJNLT-NSHDSACASA-N 432.702 4.079 5 20 IIBD CC(C)c1ccc(CNc2ccc(F)c(NC(=O)CCN3CCOCC3)c2)cc1[N+](=O)[O-] 535541380 CPUAOAYSILVBCP-UHFFFAOYSA-N 444.507 4.130 5 20 IIBD C[C@@H](NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 535963829 OJNVJMCXJRFENG-BFHBOCCVSA-N 446.472 4.321 5 20 IIBD O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)C2)nc1 535964666 UPBRYTIKATWKCV-HNNXBMFYSA-N 433.390 4.350 5 20 IIBD O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCC(O)(C(F)(F)F)CC1 536354597 OWUDPAXGVPWWES-UHFFFAOYSA-N 426.416 4.275 5 20 IIBD O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 538244750 VWFHLYPZXUNFAP-RDJZCZTQSA-N 444.793 4.449 5 20 IIBD O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CCC[C@@H]1c1ccc2c(c1)OCCO2 539036701 KJXHUGWYDLGTBK-LJQANCHMSA-N 431.448 4.405 5 20 IIBD Cc1ccc(NC(=O)C(=O)NCc2ccc(Sc3ccc(F)cc3)cc2)cc1[N+](=O)[O-] 539186555 KVQNMUSQVAKGPS-UHFFFAOYSA-N 439.468 4.448 5 20 IIBD O=C(Nc1cccn(Cc2ccccc2)c1=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 539491007 YCKFXNOIESXCEC-UHFFFAOYSA-N 426.432 4.119 5 20 IIBD CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@H]1CCCC[C@H]1S(C)(=O)=O 539834271 PNWMSPDDTAVKOH-PKOBYXMFSA-N 426.922 4.296 5 20 IIBD O=C(NCCNc1ncnc2ccc([N+](=O)[O-])cc12)c1cc(-c2ccccn2)ccc1Cl 539922716 CPCBUTXBBQZWSY-UHFFFAOYSA-N 448.870 4.095 5 20 IIBD COc1cc(CN[C@@H](C)c2cccc(N3CCCC3=O)c2)c([N+](=O)[O-])cc1OC(F)F 540407896 OBISBYXSLUYTRX-ZDUSSCGKSA-N 435.427 4.182 5 20 IIBD C[C@H](C(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])cc1F 541592010 BNKMBHVZZSDWDK-SIFORAMQSA-N 437.874 4.439 5 20 IIBD CCC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)C(=O)Nc1cccc(N2CCCC2)c1 542761967 APWDDKPZSVTIQJ-HXUWFJFHSA-N 443.479 4.263 5 20 IIBD COc1cc([C@@H](C)NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])ccc1OC1CCCC1 545388372 SOOOHUNUQDRIPM-OAHLLOKOSA-N 434.514 4.105 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(/C=C\c3ccc(OC(F)F)cc3OC(F)F)n2)nc1 545782180 WNUDOVMNEZZIGA-KXFIGUGUSA-N 440.309 4.337 5 20 IIBD O=[N+]([O-])c1cccc(-n2ccc(-c3nc(Cc4ccc(Br)s4)no3)n2)c1 546275152 MGSFHCKUWDMGAI-UHFFFAOYSA-N 432.259 4.245 5 20 IIBD COc1ccc(Cc2noc(C(F)(F)c3ccc([N+](=O)[O-])cc3)n2)cc1OC(F)F 546384673 XOQQEMFYXNHCRT-UHFFFAOYSA-N 427.310 4.319 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc(N3CCOCC3)c(F)c2)no1 546452328 KFMSLFNHFBXORW-LBPRGKRZSA-N 448.838 4.414 5 20 IIBD CC[C@@H](C)n1nc(C(=O)N(CCOC)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1C 554460206 FVUTYDMJLCTVLP-CQSZACIVSA-N 443.529 4.487 5 20 IIBD O=C(Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2)c1ccc([N+](=O)[O-])cc1Cl 556493023 VRBODHWIUBPOFA-UHFFFAOYSA-N 427.816 4.204 5 20 IIBD COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 565728516 MTJQVRNKBOGQIA-UHFFFAOYSA-N 432.436 4.337 5 20 IIBD O=[N+]([O-])c1cc(CN2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)ccc1Oc1ccccc1Cl 569044643 JSBOAEMDPBNNAC-AHRSYUTCSA-N 432.904 4.402 5 20 IIBD O=C(Nc1cccc2nc(O)oc12)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 569774742 XXKRRKFWEIUQMQ-UHFFFAOYSA-N 434.195 4.186 5 20 IIBD COc1cc(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)c([N+](=O)[O-])cc1OCC(F)(F)F 571218460 NVRGFPJZKULJKD-CRAIPNDOSA-N 430.423 4.078 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 572877226 QGHAQDGXXSMTIJ-UHFFFAOYSA-N 444.535 4.473 5 20 IIBD Cc1cc(Br)cc(C)c1N1CCC[C@@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])C1 574593409 QSRKQKATSGVBOK-OAHLLOKOSA-N 447.333 4.154 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H](C)C1CCCCC1 578458312 PCRBOOBAXDOFHE-RYUDHWBXSA-N 426.311 4.017 5 20 IIBD Cc1ccc(NCCCNC(=O)Nc2cccc(CN3CCCCC3=O)c2)c([N+](=O)[O-])c1 579652126 ZQMVZAARIFMJLQ-UHFFFAOYSA-N 439.516 4.039 5 20 IIBD Cc1ccc(Cn2nccc2NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 603732828 IPLRYCXJZLNWSB-UHFFFAOYSA-N 434.374 4.341 5 20 IIBD O=c1c(Cl)c(NCCCCOc2ccc(F)cc2)cnn1-c1ccc([N+](=O)[O-])cc1 608830433 BRMYBPOMYTZGLT-UHFFFAOYSA-N 432.839 4.204 5 20 IIBD COc1cc(-c2nc(Cc3noc(C)n3)no2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 609474701 YKKCRWTVNDZVLF-UHFFFAOYSA-N 443.803 4.381 5 20 IIBD O=C([C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1CCC(=Cc2cccc(F)c2)CC1 609515787 DWWZWHZXRJFAKP-GOSISDBHSA-N 443.500 4.106 5 20 IIBD Cc1cc(CNC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)n[nH]1 609594682 CLNOJLAHBHEHMW-UHFFFAOYSA-N 425.495 4.317 5 20 IIBD COC1CCC(N(C)C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1 609647321 HIVCIRBRDRNWPT-UHFFFAOYSA-N 443.466 4.246 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])NCCCc1ccc(Br)cc1F 609699637 PYZPQOIWEDTGNI-UHFFFAOYSA-N 425.254 4.014 5 20 IIBD NC(=O)c1cccc(Oc2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)cc2)c1 609786541 QNDJHFQXQZPURN-UHFFFAOYSA-N 425.828 4.321 5 20 IIBD Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 609933624 IABSWHWCYSWMLK-GFCCVEGCSA-N 427.461 4.277 5 20 IIBD CC(C)NC(=O)c1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c1 610041342 HDXHSMGRDCWHIK-UHFFFAOYSA-N 440.681 4.401 5 20 IIBD COc1ccc2c(c1)OCC[C@H]2NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 610234013 WQQQKTGRILUNGI-OAHLLOKOSA-N 439.390 4.064 5 20 IIBD Cc1ccc(NC(=O)[C@H](N[C@@H](CO)[C@H](C)c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 613390777 YXFYBHDFDBWOIG-RVSNTGDXSA-N 433.508 4.337 5 20 IIBD CC(=O)NC1CCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC1 613400178 WLIUFWRSOCJQHV-UHFFFAOYSA-N 433.917 4.140 5 20 IIBD O=C(N[C@H]1COc2c(Cl)cccc21)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 672868036 QQBHXOZEOQXPGO-SFHVURJKSA-N 426.806 4.476 5 20 IIBD Cc1ccc([C@@H](NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Br)C2CC2)cc1 725984079 DKRKOCFXUNMZSV-LJQANCHMSA-N 447.285 4.090 5 20 IIBD C[C@H](OC(=O)[C@@H](C)Oc1ccccc1C(F)(F)F)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 727204709 IFFIGIFFHTWCNW-WDEREUQCSA-N 444.337 4.090 5 20 IIBD COc1ccccc1C[C@@H](C)CC(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 730654795 LLGPADGEHWJDCB-KGLIPLIRSA-N 434.876 4.396 5 20 IIBD C[C@@H](OC(=O)[C@@H](C)Oc1ccc(F)cc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 733562900 GEEDJOVCADDUDG-NXEZZACHSA-N 445.230 4.378 5 20 IIBD Cc1ccccc1C[C@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 734153541 IJICHILTMZQBCP-MRXNPFEDSA-N 439.331 4.062 5 20 IIBD CC(C)[C@H](OC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1F 735149210 QKVGGRXTLSQGKM-IBGZPJMESA-N 438.839 4.363 5 20 IIBD CN1C(=O)CC[C@@H](COC(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(C(F)(F)F)cc1 737378478 XVHWUPAAQPPTDQ-HNAYVOBHSA-N 436.386 4.380 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2cccc(-c3nc(C)cs3)c2)c([N+](=O)[O-])c1 740406927 DQVDTZSHEQRANA-ZDUSSCGKSA-N 441.465 4.219 5 20 IIBD CCN1CCCC[C@@H]1C(=O)O[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 741147315 IRQMBGAEXUSZIK-CTNGQTDRSA-N 425.485 4.001 5 20 IIBD Cc1c(S(=O)(=O)Oc2cc(Cl)ccc2[N+](=O)[O-])cnn1-c1ccc(Cl)cc1 742284695 XEPSVRMRKQZRGA-UHFFFAOYSA-N 428.253 4.163 5 20 IIBD O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 743729616 SRWDKDDCPVQILD-UHFFFAOYSA-N 437.836 4.162 5 20 IIBD Cc1ccc(Br)cc1C(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 744086893 KDUINEISNQFYHL-UHFFFAOYSA-N 434.290 4.134 5 20 IIBD CNc1ccc(C(=O)Oc2ccc(OCc3nc(C(C)(C)C)no3)cc2)cc1[N+](=O)[O-] 744182731 CJHACLUQNOJENJ-UHFFFAOYSA-N 426.429 4.115 5 20 IIBD COc1ccc(OCCOC(=O)c2cc(C3CC3)nc3onc(C(C)C)c23)c([N+](=O)[O-])c1 744754180 QPXKQXPPCVODFV-UHFFFAOYSA-N 441.440 4.376 5 20 IIBD O=C(OCc1nc(COc2ccc(F)cc2)no1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 745567514 AUHYCEGIBADSQJ-UHFFFAOYSA-N 441.293 4.072 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 746260027 ANYFQIDFACRTDI-CRAIPNDOSA-N 426.366 4.481 5 20 IIBD Cc1c(C(=O)NCc2cccc(OCc3ccccn3)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748621428 VCZDFZYQPUNWSN-UHFFFAOYSA-N 436.424 4.024 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Oc2ccccc2Oc2ccccn2)cc1[N+](=O)[O-] 748688470 WRAMNLWGHZHWLX-UHFFFAOYSA-N 449.448 4.281 5 20 IIBD CC[C@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)c1ccc(NC(C)=O)cc1 748864274 LUVWHTJKMOYVHY-KRWDZBQOSA-N 449.257 4.134 5 20 IIBD O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 750002209 AREHBTQZWNIWBS-UHFFFAOYSA-N 426.778 4.401 5 20 IIBD O=C(COC(=O)c1cc(F)c(F)cc1Br)Nc1ccc(Cl)cc1[N+](=O)[O-] 750177627 AGMITTQRYYFDEC-UHFFFAOYSA-N 449.591 4.084 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 750794332 PRSWFEBKEAJRLI-AWEZNQCLSA-N 446.529 4.095 5 20 IIBD C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 750834508 PTEMRCZYAHEIIQ-INIZCTEOSA-N 446.548 4.033 5 20 IIBD CC(C)(C)c1nnc(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)s1 750904039 CKKVSOZXGRIFSS-UHFFFAOYSA-N 433.715 4.090 5 20 IIBD CCOc1cc(NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c([N+](=O)[O-])cc1OCC 752625880 QQQCLQPUMIRQGC-CYBMUJFWSA-N 432.433 4.492 5 20 IIBD O=C(NCCc1ccc(OC(F)F)cc1)c1cc(F)cc([N+](=O)[O-])c1Br 754976376 IGQTZMLLLVIYDX-UHFFFAOYSA-N 433.180 4.070 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CSCC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C 755023532 FMVTULMMHOGCBM-UHFFFAOYSA-N 446.485 4.047 5 20 IIBD COC(=O)[C@@H]1CCCC[C@H]1OC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 755807717 WEOLUMZDLKOKPC-YYFZDKIDSA-N 427.457 4.052 5 20 IIBD CCOC(=O)[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)c2ccccc21 759318563 VGJCHLSHLAQFIC-CYBMUJFWSA-N 433.258 4.055 5 20 IIBD Cc1nc(CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)oc1-c1ccc(Cl)cc1 761587345 WGEAAJMLUASNOJ-UHFFFAOYSA-N 430.804 4.358 5 20 IIBD CC(=O)N1C=Cc2ccccc2[C@H]1Cc1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 762307062 DEMKIFKZAUJMJU-OAQYLSRUSA-N 429.436 4.167 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1c1noc(-c2ccc([N+](=O)[O-])cc2Br)n1 763341870 ZBPSWXKATLZWOZ-CYBMUJFWSA-N 439.266 4.479 5 20 IIBD Cc1ccc(Br)c(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1N 764593180 UQERTKNXEOKDLJ-JTQLQIEISA-N 447.245 4.216 5 20 IIBD CC(C)NC(=O)c1ccc(C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 767202720 OZJZUOMYIMYYDW-UHFFFAOYSA-N 447.447 4.205 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)[C@@H](O)c1c(Cl)cccc1Cl 771719924 UPLBGMRIOBNAGY-HXPMCKFVSA-N 438.311 4.354 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc2c1N(C(=O)c1cc([N+](=O)[O-])c3nsnc3c1)CC2 775295204 JKJUCZNIAZBWQX-UHFFFAOYSA-N 441.469 4.149 5 20 IIBD O=c1c2ccccc2nc(SC[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1Cc1ccccc1 776270199 AHGHUXDVHVFJNB-OAQYLSRUSA-N 433.489 4.179 5 20 IIBD Cc1ncc(C(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)c(C)n1 776743206 ULAMXRWJUXBGHE-UHFFFAOYSA-N 426.816 4.127 5 20 IIBD CCc1ccc(C(=O)Nc2cnc3c(c2)C[C@@H](NC(=O)OC(C)(C)C)CC3)cc1[N+](=O)[O-] 777009864 YKMTZYRBDXTLAW-KRWDZBQOSA-N 440.500 4.187 5 20 IIBD CC[C@H](C)n1nc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1C 778162342 OVGGCGHKGJZYEY-CMPLNLGQSA-N 442.394 4.274 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)[C@H](C)c1c(C)nn(CC(F)(F)F)c1C 780635428 WTCVXYTXPMHNEG-GFCCVEGCSA-N 429.395 4.005 5 20 IIBD Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 784172942 VVONGJPKTUAGJA-UHFFFAOYSA-N 432.274 4.058 5 20 IIBD COc1ccc([C@@H]2[C@H](COC(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)CC(=O)N2C)cc1 784516345 KIBLHGOFWRKUNG-HTAPYJJXSA-N 426.469 4.103 5 20 IIBD C[C@@H](CC(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1c[nH]c2ccccc12 786404574 OFYGJRKRQMUBRL-DLBZAZTESA-N 435.480 4.418 5 20 IIBD C[C@@H](C[C@@H](O)c1cccs1)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 787470029 KSUHZDPTOUZSMQ-MGPUTAFESA-N 426.494 4.477 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 790912632 XAOUCSGLHAXJSF-QGZVFWFLSA-N 444.793 4.131 5 20 IIBD Cn1nc(C(F)F)c2cc(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)sc21 791670625 CCRLCGVFPWXQOV-UHFFFAOYSA-N 431.218 4.495 5 20 IIBD Cc1c(CNC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cccc1[N+](=O)[O-] 792496130 KHPFCNJGEVOQFO-JOCHJYFZSA-N 447.491 4.057 5 20 IIBD O=[N+]([O-])c1ccc(N2CCOCC2)c(-c2nc(-c3ccc(N4CCCCC4)cc3)no2)c1 795749928 SVVOHQYLYJCFKA-UHFFFAOYSA-N 435.484 4.139 5 20 IIBD C[C@H](Nc1ccc(C(=O)OCc2cncn2CC(F)(F)F)cc1[N+](=O)[O-])c1ccccn1 797118147 DUWCVAKEWQACDA-ZDUSSCGKSA-N 449.389 4.279 5 20 IIBD Cc1cc(OCC(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)ccc1[N+](=O)[O-] 797492594 FOSIJSUYBDVYRL-NSHDSACASA-N 427.240 4.159 5 20 IIBD CC(C)(C)OC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H](c2ccccc2Cl)C1 800645069 IXOGDIOJARFPJJ-QGZVFWFLSA-N 434.880 4.011 5 20 IIBD O=C(COC(=O)c1ccnc(-c2ccc(Cl)cc2)n1)Nc1ccc(Cl)cc1[N+](=O)[O-] 805659770 ZPXHGZHATXDLOG-UHFFFAOYSA-N 447.234 4.154 5 20 IIBD COc1ccc(C2(NC(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])CCOCC2)cc1 812959578 JTHRVBCYFDTKGN-UHFFFAOYSA-N 425.268 4.346 5 20 IIBD Cc1cccc(NC(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC2)c1 813435809 HFFGKADPLLIOBQ-UHFFFAOYSA-N 437.283 4.200 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC[C@@H]21 817001957 HJFRGCSIBVHDFK-NHYWBVRUSA-N 444.315 4.373 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cc3ccccc3nc2O)cc1)c1cccc([N+](=O)[O-])c1 818360879 ZLEJMGJQTUQIOL-UHFFFAOYSA-N 429.388 4.320 5 20 IIBD Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 904333416 NFYQRYMWSNUKBG-SFHVURJKSA-N 430.486 4.019 5 20 IIBD CCOc1cc([N+](=O)[O-])c(-c2nc(-c3ccc(N4CCCCC4)nc3)no2)cc1OC 904430008 HSGCHXSSVHECLD-UHFFFAOYSA-N 425.445 4.104 5 20 IIBD O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\c1cnn(-c2ccc(Cl)cc2)c1 916029554 ZJOCQCAABNGMEC-APSNUPSMSA-N 429.219 4.432 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)Oc1ccc(S(=O)(=O)c2ccccc2)cc1 917080009 IWEBWGSESDXNDN-UHFFFAOYSA-N 440.477 4.225 5 20 IIBD C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 917939504 SGZPPYJJMABEPE-GHMZBOCLSA-N 426.351 4.200 5 20 IIBD Cc1ncc(CNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 919879098 GFWLETZZERLKOI-UHFFFAOYSA-N 430.873 4.195 5 20 IIBD Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 920814990 HFIYESMCPGQOQI-UCLAIMLFSA-N 429.904 4.158 5 20 IIBD O=C(c1cccc(NCc2ccc([N+](=O)[O-])cc2Br)c1)N1CCSCC1 1116646481 IJUYAXONULKURU-UHFFFAOYSA-N 436.331 4.158 5 20 IIBD O=C(NCc1ccc(NC(=O)C2CC2)cc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 1320514360 UBARJFHPQKUUPK-UHFFFAOYSA-N 447.441 4.238 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 1321006842 YODAVFAEXRZFLW-OAHLLOKOSA-N 433.306 4.116 5 20 IIBD O=[N+]([O-])c1ccc(N2CCOCC2)c(-c2nnc(-c3ccc(COc4ccccc4)o3)o2)c1 1326186567 AUABEYBEAHSTJO-UHFFFAOYSA-N 448.435 4.320 5 20 IIBD O=C(c1ccccc1OC(F)F)N1CCC[C@H]1c1nnc(-c2cccc([N+](=O)[O-])c2)o1 1328156867 KSIDOROIDGZBDH-HNNXBMFYSA-N 430.367 4.224 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(F)cc([N+](=O)[O-])c4)CCC3)cc2)ccn1 1789751261 USNMYMQJXHSTGT-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD Cc1cnoc1C(=O)Nc1ccc(C2(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)CCC2)cc1 1789978809 ASRSBRCFYKJWGR-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](F)c1ccccc1)C2 1800697340 PIVNLKHRZHSKJV-KYFSNAEOSA-N 443.450 4.005 5 20 IIBD O=C([C@@H]1CC=CCC1)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1824275493 BHNMVIPYBJKZDB-YQKXDXBVSA-N 441.528 4.177 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCC([C@@H]2CCCCN2C(=O)C2CCCCC2)CC1 1826279506 QIYXFBUJZNTJIF-ZUURVNMSSA-N 443.544 4.401 5 20 IIBD CC(C)CCC(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])sc2C1 1828258791 SZUAIGIOKDDCHL-OQRGYWNNSA-N 442.541 4.113 5 20 IIBD C[C@@H]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1828488134 UOFPFEAVZLIJSY-WVBUVRCRSA-N 445.535 4.403 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCCC23CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C3)s1 1843557882 GYJSRSRKTWMSTA-UHFFFAOYSA-N 441.553 4.014 5 20 IIBD Cc1csc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)c1 1847902682 GVZBPBSYJGAEGS-HOTGVXAUSA-N 433.917 4.056 5 20 IIBD O=C(COC(=O)CCCSc1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1F 8928811 RFPFDGGNOWQHGM-UHFFFAOYSA-N 426.853 4.442 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)Cc1ccc(OCc2c(C)noc2C)cc1 9838341 VJDHQYLPWRMMJY-UHFFFAOYSA-N 426.425 4.073 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCCCCOc3ccc(F)cc3)cc2)c(C)c1[N+](=O)[O-] 12392811 SYLXNBDSFFMMRL-UHFFFAOYSA-N 440.475 4.185 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Oc2ccc(NC(=O)c3ccccc3)cc2)c1C 15365790 XXPFAWAJSPLVEX-UHFFFAOYSA-N 426.450 4.232 5 20 IIBD Cc1cccc(-c2nc(CC(=O)OCC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])cs2)c1 17229687 AFIHFENFHNBKEM-UHFFFAOYSA-N 445.884 4.405 5 20 IIBD COc1cc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)ccc1NC(=O)c1cccnc1 26238278 KUWXKHGXTJRLQW-UHFFFAOYSA-N 449.467 4.082 5 20 IIBD COc1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)c([N+](=O)[O-])cc1OC(F)F 27379243 VWYXHMWJTUGDKI-GFCCVEGCSA-N 447.394 4.366 5 20 IIBD Cn1ccnc1[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 29875006 KMWJTOKLGSBCPI-FQEVSTJZSA-N 427.892 4.080 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1cc(-c2cccc(F)c2)no1)c1ccccc1[N+](=O)[O-] 46811458 UFXAMLVFSXWRET-GOSISDBHSA-N 441.415 4.202 5 20 IIBD CC(C)c1ccc(CN(C(=O)Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)C2CC2)cc1 60825501 IOGNAORWYQKATO-UHFFFAOYSA-N 446.507 4.133 5 20 IIBD CCOC(=O)c1sc2cccc(F)c2c1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 72086091 ZJAXEQDQWRXZFA-UHFFFAOYSA-N 426.429 4.432 5 20 IIBD O=C(Nc1ccc2c(c1)C(=O)NC2)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 116152628 KMLTUVNFZFGFSB-UHFFFAOYSA-N 436.855 4.356 5 20 IIBD COc1cc(CNCc2ccc(-n3cccn3)cc2)c([N+](=O)[O-])cc1OCC(F)(F)F 237266067 PWDZZRMAGNSWLT-UHFFFAOYSA-N 436.390 4.020 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Br)cc1 247837223 MNPFNZDNKQRXCP-OAHLLOKOSA-N 441.665 4.045 5 20 IIBD O=[N+]([O-])c1cnc(N[C@@H]2CCCc3c2cnn3Cc2ccccc2)c(Br)c1 301514358 DXCLHECRJGAVJX-QGZVFWFLSA-N 428.290 4.487 5 20 IIBD O=[N+]([O-])c1cc(I)ccc1Oc1ccnc(Cc2ccccc2)n1 302504969 WBBLADVYLKWVNY-UHFFFAOYSA-N 433.205 4.373 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCO[C@@H](c2ccc(Br)cc2)C1 303037829 SEJFASHUOVUWTA-LJQANCHMSA-N 448.317 4.068 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1I 303798982 LHAMCTMGWBFDEZ-UHFFFAOYSA-N 442.228 4.091 5 20 IIBD CC[C@H](NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1OCC(=O)N1CCCC1 409680168 UVVBZFZETOJSKS-IBGZPJMESA-N 440.500 4.177 5 20 IIBD CC(C)(C)N1C[C@@H](c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)[C@H](C(F)(F)F)C1 426456404 DTCSXKRLHXDWAX-HUUCEWRRSA-N 437.422 4.426 5 20 IIBD COc1ccc(Br)c(CN(C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 429296732 SDKSXTBVYYCXEA-CYBMUJFWSA-N 436.306 4.133 5 20 IIBD O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 430489538 BXSWWXKGEXGEOD-ZDUSSCGKSA-N 443.809 4.198 5 20 IIBD CNC(=O)c1cc(Oc2ccccc2NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)ccn1 431188964 BVNIBOHTDCUKBX-UHFFFAOYSA-N 449.467 4.199 5 20 IIBD CC(C)(NC(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1)c1ccc([N+](=O)[O-])cc1 431191532 FASTYQIJHRKYEH-UHFFFAOYSA-N 433.530 4.365 5 20 IIBD CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] 433828214 IQVHLOVIMUWZHJ-UHFFFAOYSA-N 442.303 4.239 5 20 IIBD O=C(Nc1ccc(F)c(Cl)c1)C1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 435049698 ICHLJOWNXYCJEY-UHFFFAOYSA-N 432.839 4.379 5 20 IIBD Cc1ccc([C@H](CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)N(C)C)cc1 436320431 VVTHNCIVANOSFT-QFIPXVFZSA-N 435.474 4.301 5 20 IIBD O=C(Nc1ccc2c(c1)Cc1ccccc1-2)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 437048163 YXDLQOCDTIFNFL-UHFFFAOYSA-N 427.460 4.296 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3nccc(C)n3)cc2)cc1SC 440809183 MCBAAHGZHMBRPS-UHFFFAOYSA-N 426.454 4.468 5 20 IIBD CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C 443866393 FNSJDANYKZWMNU-UHFFFAOYSA-N 445.419 4.326 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCc2c(F)cc(F)cc2C1 444252379 NMTUHAIOAGZATO-UHFFFAOYSA-N 426.369 4.436 5 20 IIBD O=C(Nc1ccc(CN2CCOCC2)c(Cl)c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 444294467 VZQIWPVYFUIWIH-UHFFFAOYSA-N 447.922 4.419 5 20 IIBD CC(=O)N1CCC(CCC(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])CC1 446425366 RMAJBKZNQBXGCO-UHFFFAOYSA-N 425.485 4.151 5 20 IIBD COc1ccc2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)sc2c1 446962620 NWBDTWUMMOWWGN-UHFFFAOYSA-N 433.389 4.033 5 20 IIBD Cc1ccc(NC(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1[N+](=O)[O-] 447914846 LTCLYOPBAIMPHF-UHFFFAOYSA-N 432.234 4.037 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 448075288 UXNFUJVHGZWVTC-UGSOOPFHSA-N 431.334 4.359 5 20 IIBD CN(C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)c1cnn(C)c1 460197816 QVVDHRLWPKVDSY-UHFFFAOYSA-N 425.495 4.366 5 20 IIBD CCN1CCN(Cc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)CC1 463108934 HWWJLAVXXSJLAB-UHFFFAOYSA-N 436.434 4.003 5 20 IIBD CCOc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 463683980 WWBRSYLVKIONOQ-GOSISDBHSA-N 427.482 4.068 5 20 IIBD CCCN(CCc1cccs1)C(=O)c1ccc([N+](=O)[O-])cc1I 464180288 FHXSYGPLFUSFDT-UHFFFAOYSA-N 444.294 4.356 5 20 IIBD CCC[C@@H](NC(=O)[C@@H](C)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 464771963 DKBWNYXTTDUFIP-WZONZLPQSA-N 425.529 4.484 5 20 IIBD CC[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1nc(C(F)(F)F)cs1 465180464 ARQMXUHTKMGJKM-LBPRGKRZSA-N 425.392 4.137 5 20 IIBD CN(Cc1cccc(Br)c1OCC(C)(C)O)c1ncc([N+](=O)[O-])cc1Cl 466409232 LJSCMXUZIJUPFH-UHFFFAOYSA-N 444.713 4.192 5 20 IIBD O=C(CNC(=O)c1sc2ccccc2c1Cl)NCc1ccc([N+](=O)[O-])cc1Cl 466513163 HGGFHURMQOJUQB-UHFFFAOYSA-N 438.292 4.163 5 20 IIBD Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C 466535654 HGRSBADCFDZQMA-IBGZPJMESA-N 443.525 4.266 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1cnn(C(F)F)c1 467433791 AABPTAUGUKEHGN-UHFFFAOYSA-N 438.394 4.220 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CC[C@]2(C1)OCc1ccccc12 472022038 NQPZLDNPDIJEIJ-RUZDIDTESA-N 429.476 4.479 5 20 IIBD C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 472504508 SYKORMFSMPZWTL-RTBURBONSA-N 436.556 4.081 5 20 IIBD O=C(NCCCC(=O)N1Cc2ccccc2C1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 475221254 WMBCOOPRSSOWDJ-UHFFFAOYSA-N 436.390 4.058 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 475637737 HZUQLCKFDUTTKU-MRXNPFEDSA-N 444.919 4.172 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3oc4ccc(F)cc4c3C)CC2)ccc1[N+](=O)[O-] 477373174 BGXNGORLDXCFRK-UHFFFAOYSA-N 427.432 4.150 5 20 IIBD Cc1c(CNC(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] 479724937 XQLDPTLVQMHBRD-JXFKEZNVSA-N 434.899 4.188 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)c1[N+](=O)[O-] 480189813 KKHOWKZJMIXKPR-CQSZACIVSA-N 440.905 4.081 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCc2cc(Br)ccc2C1 480977190 HASADBFQYNWEJM-UHFFFAOYSA-N 439.693 4.365 5 20 IIBD Cc1c(COc2ccccc2)cccc1NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C 483820884 PAHCROZLYFNEAM-UHFFFAOYSA-N 433.464 4.046 5 20 IIBD Cc1nc(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)c(Br)s1 485717423 IQABEXXTSVJYEO-UHFFFAOYSA-N 438.225 4.327 5 20 IIBD Cc1nc2c(s1)CCC[C@H]2C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 485761742 YCVJQCAIMRPSBQ-GFCCVEGCSA-N 428.436 4.027 5 20 IIBD COc1ccc(-c2nnc(NC(=O)c3sc(Br)cc3[N+](=O)[O-])s2)cc1 486450232 KVOSVNKEQHKOHJ-UHFFFAOYSA-N 441.288 4.198 5 20 IIBD COc1c(F)cc(S(=O)(=O)Nc2ccc(OC3CCCC3)c(F)c2)cc1[N+](=O)[O-] 488263735 MRXKAYICUZXKNG-UHFFFAOYSA-N 428.413 4.004 5 20 IIBD CCOc1ccc(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(C(F)(F)F)c1 488380001 OJQAPGMJZPBMAS-UHFFFAOYSA-N 427.383 4.078 5 20 IIBD Cc1ccnc(Oc2cc(NC(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)ccc2C)c1 488495862 CQQMTBVPFIGTMA-UHFFFAOYSA-N 436.472 4.464 5 20 IIBD CCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H](C)C(=O)Nc1ccccc1C 490057557 DHUMGJKWJGVHAS-SFHVURJKSA-N 426.517 4.279 5 20 IIBD CCc1ccc([C@@H](NCc2ccncc2OC[C@H]2CCOC2)c2ccc([N+](=O)[O-])cc2)o1 490431724 KMLRNUWHTGFJJD-XDHUDOTRSA-N 437.496 4.440 5 20 IIBD O=C(Nc1cccc(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c1)c1cccc(F)c1 490610367 QUXNGKYIAOOGIO-UHFFFAOYSA-N 432.411 4.398 5 20 IIBD CC(=O)N1CCCc2ccc(S(=O)(=O)N(c3cccc([N+](=O)[O-])c3)C3CCCC3)cc21 494457654 ZTJWAGUWABCYJQ-UHFFFAOYSA-N 443.525 4.032 5 20 IIBD CCOC(=O)C(C)(C)c1csc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 497638904 NFHGNNCVDWKPRX-UHFFFAOYSA-N 432.502 4.089 5 20 IIBD CCC[C@H]1SCCN1C(=O)c1ccc(C(=O)N2CCS[C@@H]2CCC)c([N+](=O)[O-])c1 499044166 XWOPRBNAYKINGV-QZTJIDSGSA-N 437.587 4.225 5 20 IIBD CCN(Cc1ccc(OC)cc1OC)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 499354240 DGQJKEGXDPRIBW-UHFFFAOYSA-N 427.482 4.398 5 20 IIBD CSc1ccc(NC(=O)Cn2cc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cn2)cc1 501081879 ZDXMTAVEHHHPAA-UHFFFAOYSA-N 445.888 4.058 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Nc1ccc(Cl)cc1OCC(F)(F)F 505275979 ZBVAQKSOLHBTON-UHFFFAOYSA-N 428.747 4.129 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 508037735 ACZRTJIDNMMRLB-HNNXBMFYSA-N 447.944 4.104 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1cccc(CSc2ccccn2)c1 511124071 KGIHKLUKLFJAPC-UHFFFAOYSA-N 436.537 4.395 5 20 IIBD CCN(C(=O)Cc1ccc(NC(=O)c2cc(OC)ccc2[N+](=O)[O-])cc1)c1ccccc1 516338288 MKKXXXFQKGOLAE-UHFFFAOYSA-N 433.464 4.451 5 20 IIBD O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 516635642 LOMUAZBNSPXLKW-UHFFFAOYSA-N 445.907 4.319 5 20 IIBD CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2ncccc2[N+](=O)[O-])sc2c1CCCC2 516715152 RGADECXKUZLGPQ-LLVKDONJSA-N 435.527 4.226 5 20 IIBD Nc1c(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc(F)cc1[N+](=O)[O-] 517718888 UXYBSEOGXSEFHQ-UHFFFAOYSA-N 428.807 4.474 5 20 IIBD CCCN(Cc1ccccc1Br)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 520152898 OOOWMTFEMWVDIQ-UHFFFAOYSA-N 427.320 4.177 5 20 IIBD O=C(Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 520973020 BFDLHTBIQFRCJQ-UHFFFAOYSA-N 443.398 4.110 5 20 IIBD CCCN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ccccc1 522647811 HLRRYMODXWJYHS-OAHLLOKOSA-N 433.892 4.283 5 20 IIBD CSCC[C@H](C)N(C)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 522915655 RAEIPBHUZLRKTQ-ZDUSSCGKSA-N 433.496 4.430 5 20 IIBD Cn1c(CCCNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)nc2ccccc21 524575869 QOKOOXUQPQKHFU-UHFFFAOYSA-N 443.507 4.456 5 20 IIBD COc1ccc([C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c2ccc(F)cc2)cc1 524641794 GBPVCDMGCSRZCL-OAQYLSRUSA-N 430.457 4.119 5 20 IIBD COc1cc(CN(C)c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])c(SC)cc1OC 525462005 USVQKPGABNNSAB-UHFFFAOYSA-N 433.530 4.109 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(Cl)s1 534949526 LZKQFTPMWUFWFY-UHFFFAOYSA-N 428.919 4.237 5 20 IIBD COc1ccc(-c2nc(Cc3noc(C(F)(F)c4ccc([N+](=O)[O-])cc4)n3)co2)cc1 537556007 QPZYHHKJZRRMIO-UHFFFAOYSA-N 428.351 4.372 5 20 IIBD CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 538336143 SZZKCNJQQLXVSA-OYHNWAKOSA-N 440.475 4.102 5 20 IIBD C[C@@H]1CCCCN1CCC1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 539862925 NVHUFOQSWFUMAA-LJQANCHMSA-N 425.577 4.472 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 541260085 ZYSACSBSUJERSG-UHFFFAOYSA-N 440.506 4.334 5 20 IIBD C[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H](C)c1ccccc1C(F)(F)F 542561013 PZDWLCAIIIZCJT-NWDGAFQWSA-N 439.390 4.063 5 20 IIBD CCCn1c(SC[C@@H](O)COc2ccccc2[N+](=O)[O-])nnc1-c1cccc(C)c1 543121144 UJWYUTOOPJJCOU-KRWDZBQOSA-N 428.514 4.104 5 20 IIBD C[C@@H]1CCc2sc(C(=O)N3CCCN(c4nc5ccc([N+](=O)[O-])cc5[nH]4)CC3)cc2C1 543701404 SQTGJARPDXJSJD-CQSZACIVSA-N 439.541 4.010 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)cc1[N+](=O)[O-] 543920831 MYMGPURCZKMAEJ-HXUWFJFHSA-N 439.855 4.101 5 20 IIBD CC[C@@H](N[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 544455369 DJFNQRFQJTUOLO-GXSJLCMTSA-N 432.424 4.147 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCCCc2c(Cl)cccc21 544456661 MCNNGNDVOQUXAB-UHFFFAOYSA-N 429.860 4.306 5 20 IIBD O=C(Nc1nc(Cc2nc(Cc3ccccc3[N+](=O)[O-])no2)cs1)c1ccccc1F 545529814 XUSAQZUHTSKFLA-UHFFFAOYSA-N 439.428 4.007 5 20 IIBD Cc1ccc(-n2cnnc2SCc2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)cc1Cl 546261405 NJPJFUHTEXGCPP-UHFFFAOYSA-N 443.876 4.062 5 20 IIBD CC(=O)N1CCN(c2ccc(-c3nc(Cc4ccc(C(C)C)cc4)no3)cc2[N+](=O)[O-])CC1 547032099 FALWPXNDLZNPHI-UHFFFAOYSA-N 449.511 4.028 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 552334372 ILGYSOHKBFRDKW-OAQYLSRUSA-N 444.329 4.096 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 557197779 UDEJNBSSILXRSU-FQEVSTJZSA-N 440.443 4.322 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCN(c2ccccc2Cl)C1=O 559710296 SRWZOENIJUCLRD-MRXNPFEDSA-N 441.793 4.145 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CC[C@@H](C(=O)N2CCCC2)C1 561662245 HPIAANBOGWTJAL-MRXNPFEDSA-N 443.887 4.125 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccn([C@@H](C)c2ccccc2)n1 585701017 NCYIHLQVELUBPK-ZDUSSCGKSA-N 429.274 4.724 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(c2noc3cc(F)ccc23)CC1 589277388 SGJUVMSRUJNWNP-UHFFFAOYSA-N 442.447 4.092 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CN[C@@H]2CCCOc3ccc(F)cc32)c1 589310415 MGBNDUFABKSTPE-MRXNPFEDSA-N 442.228 4.342 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1OCc1cn2cccc(C)c2n1 591335560 GMEBMRYHUDKXEP-UHFFFAOYSA-N 432.436 4.391 5 20 IIBD CCOc1ccc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 603642520 GAUORPJKSGRKMP-UHFFFAOYSA-N 438.406 4.366 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)cc1OC 604519286 ZQMOVYDRSXRXSF-JTSKRJEESA-N 428.485 4.242 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N(Cc2ccccc2)CC2CCC2)ccc1[N+](=O)[O-] 608805700 AIMKSOYRPSTRHU-HSZRJFAPSA-N 435.524 4.337 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(CCCc2ccccc2)cc1 608843862 JJMGXHCADMUJRZ-UHFFFAOYSA-N 431.492 4.068 5 20 IIBD Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3F)cc2)cc1 608871027 QGNVGGLKBTVYAD-UHFFFAOYSA-N 428.441 4.269 5 20 IIBD CC[C@H](C)N(C)CCNc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] 608909233 CQPWDXJYVLTFIW-KRWDZBQOSA-N 434.562 4.155 5 20 IIBD CCc1sc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)nc1-c1ccc(OC)cc1 609216773 WIXXUSFHDRUVBK-UHFFFAOYSA-N 427.438 4.270 5 20 IIBD Cc1cc(=O)c(C(=O)N[C@@H](c2ccccc2Cl)C(C)C)nn1-c1ccccc1[N+](=O)[O-] 609645122 BZAFLSZVCAZPHA-HXUWFJFHSA-N 440.887 4.230 5 20 IIBD COc1ccc(CN[C@H](CO)c2cccc(F)c2)cc1OCc1ccc([N+](=O)[O-])cc1 609708350 HAGWPBKSTMGOSA-OAQYLSRUSA-N 426.444 4.145 5 20 IIBD CS[C@@H]1CCC[C@@H](NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)C1 609764294 KELGJGOSXDJKHM-IAGOWNOFSA-N 441.553 4.296 5 20 IIBD Cn1c(=O)n(C)c2cc(NC(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)ccc21 609772699 DYJUOABRLPIKDG-UHFFFAOYSA-N 433.424 4.222 5 20 IIBD CCSCc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 610179977 QAICZKVNQZGXCV-FQEVSTJZSA-N 427.526 4.400 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@@]2(CO)CCc3ccccc32)cc1 610916066 JEBHMNWGBMCXGS-AREMUKBSSA-N 440.503 4.371 5 20 IIBD O=C(c1cc(N2CCC(OCc3ccccc3F)CC2)ccc1[N+](=O)[O-])N1CCCC1 611257118 WQKNSYUCOXBPCI-UHFFFAOYSA-N 427.476 4.156 5 20 IIBD CN(Cc1nnc2ccccn12)C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 612534519 XZYGCZGLHFVJAK-UHFFFAOYSA-N 425.514 4.192 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3nc([C@@H]4CCCS4)no3)cc2)c1 612949596 XADPCSRLNDWDPM-INIZCTEOSA-N 432.483 4.014 5 20 IIBD C[C@@H](NC(=S)/C(=C(/O)c1cccc([N+](=O)[O-])c1)[n+]1cccc(O)c1)c1cccs1 726581256 SGHZXTYPGGMVBJ-CYBMUJFWSA-O 428.515 4.211 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)c1 727712417 WIZMLTFDWWUQDK-UHFFFAOYSA-N 446.312 4.184 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1nc(-c2ccccc2)cs1 730090095 XZJGMHKKXYZOHO-GFCCVEGCSA-N 432.479 4.040 5 20 IIBD Cc1oc(-c2cccs2)nc1C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730709298 UTLDUNVDWMHDOT-AWEZNQCLSA-N 441.465 4.081 5 20 IIBD Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 731586859 NLRDOBRUYNQPBZ-UHFFFAOYSA-N 449.294 4.264 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)O[C@H](c1ccc(Br)cc1)C1CC1 734726256 FFTGSCTUGIUALG-IBGZPJMESA-N 430.258 4.402 5 20 IIBD COc1ccc(C2(C(=O)OC3CCN(c4ccc([N+](=O)[O-])c(OC)c4)CC3)CCC2)cc1 739369155 GBLCSRIUDOMMFY-UHFFFAOYSA-N 440.496 4.246 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)Nc1ccc(F)cc1Cl 740423080 XLPGOCQJKFYHAO-MRVPVSSYSA-N 445.628 4.334 5 20 IIBD CC(C)n1c(S)nnc1[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 742663825 UFTOZAOUBDWAMC-NSHDSACASA-N 443.451 4.095 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCC(N2CCc3ccccc3C2)CC1 743989451 QXBMHDCBXWFPTC-UHFFFAOYSA-N 448.567 4.248 5 20 IIBD CC(C)c1c(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1-c1ccccn1 744700672 JJRZDBMZMOANAX-CQSZACIVSA-N 448.439 4.267 5 20 IIBD COc1cc(C(=O)O[C@H](C)c2nc(-c3ccccc3C)no2)c([N+](=O)[O-])cc1OC(F)F 746062869 OZSTUYNJRFMKBJ-LLVKDONJSA-N 449.366 4.481 5 20 IIBD COc1ccc2cc(/C=C\C(=O)O[C@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)ccc2c1 746259150 PTSIWEXJQCMQQC-PXTDYPQFSA-N 438.411 4.479 5 20 IIBD O=C(Nc1ccccc1C(=O)NCc1ccco1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 746791987 XPTDRNHHTUKAKJ-UHFFFAOYSA-N 433.342 4.389 5 20 IIBD Cc1ccc([C@@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)N(C)C)cc1 749418644 FMSOVZOJQHJQCA-MRXNPFEDSA-N 440.725 4.352 5 20 IIBD CC(C)Cn1ccc2cc(NC(=O)c3c4c(cc([N+](=O)[O-])c3[N+](=O)[O-])OCCO4)ccc21 751247612 GSVJFYIVROXARA-UHFFFAOYSA-N 440.412 4.137 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(Cc2ccccc2)C[C@H](O)c2ccsc2)c1C 751494244 NGJDHVBUPBWSAY-FQEVSTJZSA-N 446.550 4.198 5 20 IIBD Cc1c(C(=O)OCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cccc1-c1ccccn1 755017326 MTDFHOFQPXHWQE-UHFFFAOYSA-N 433.420 4.120 5 20 IIBD O=C(NC[C@@H](O)c1c(F)cccc1Cl)Nc1ccc(Br)c([N+](=O)[O-])c1 755024949 SSLMUBSFGUQBKC-CYBMUJFWSA-N 432.633 4.005 5 20 IIBD C[C@H](OC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)N(C)Cc1c(F)cccc1Cl 755065328 PSAHGAHJUHSFFQ-NEPJUHHUSA-N 440.830 4.220 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 755247061 CWLZCHAPKHTZCZ-FQEVSTJZSA-N 431.533 4.166 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)Cc2c[nH]c3ncccc23)c2ccccc2)c([N+](=O)[O-])c1 757148138 GLIHROYXBSPMIJ-QFIPXVFZSA-N 444.447 4.245 5 20 IIBD CCOc1cc(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccco2)c([N+](=O)[O-])cc1OCC 758521509 HHXUUKOIAPHYCJ-RHSMWYFYSA-N 433.461 4.105 5 20 IIBD O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccccc1CCC(F)(F)F 758923309 VIYUOOBKQQHIOA-UHFFFAOYSA-N 438.358 4.245 5 20 IIBD CCCc1c(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cnn1-c1ccc(F)cc1 759460474 DBRRXMNUMQQTQJ-OAQYLSRUSA-N 437.431 4.004 5 20 IIBD CC(C)n1ncc2c(C(=O)O[C@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)cc(C3CC3)nc21 759935548 SEDFHBVSYDNCRI-MOPGFXCFSA-N 438.488 4.335 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](O)c1cccc(OCc2ccccc2)c1 761609211 QPKYJVUJFFIZSQ-OAQYLSRUSA-N 437.452 4.038 5 20 IIBD O=C(NCc1ccccc1F)c1ccc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)cc1 763422145 NYCJHOMWBMIHTM-UHFFFAOYSA-N 429.354 4.194 5 20 IIBD COC(=O)Nc1cc(C(=O)OCc2ccc(OC)c([N+](=O)[O-])c2)cc(C(F)(F)F)c1 764099227 QMXMWQONSWWPBN-UHFFFAOYSA-N 428.319 4.158 5 20 IIBD CN(C(=O)c1ccccc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1CCCCC1 764201589 WCDDIFOXOPHLMO-UHFFFAOYSA-N 447.495 4.438 5 20 IIBD CCn1c(COc2ccc(C)cc2)nn(CN(C)Cc2ccccc2[N+](=O)[O-])c1=S 764884123 WXPNQHOPSWBWOU-UHFFFAOYSA-N 427.530 4.319 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 765722760 FPBWRDJRMIVPDX-FDDCHVKYSA-N 431.533 4.023 5 20 IIBD O=C(CCCc1ccccc1)N1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 769234000 VXFJROGYZOVXBQ-UHFFFAOYSA-N 446.345 4.024 5 20 IIBD C[C@H](Oc1cccc2ccccc12)C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 769376386 AHVYTOZKQCPYSN-ZDUSSCGKSA-N 428.828 4.351 5 20 IIBD CCSc1cccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cccc([N+](=O)[O-])c2)c1 769850577 AOUHXJWSIHSWSO-GOSISDBHSA-N 428.539 4.138 5 20 IIBD O=C(COC(=O)c1cc(Br)cc([N+](=O)[O-])c1)Nc1ccccc1C(F)(F)F 770156804 JZGYJCIPRZZGOF-UHFFFAOYSA-N 447.163 4.172 5 20 IIBD COc1cc(Cc2noc([C@@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)c([N+](=O)[O-])c(OC)c1 771745831 LAFZPTKXZOBJLM-LLVKDONJSA-N 446.441 4.347 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])ccc1NC(=O)OC(C)(C)C 772292929 YALAQTIUPRBKCN-UHFFFAOYSA-N 429.429 4.046 5 20 IIBD O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)CC1 772779656 KNWAIXQIAQGDLG-UHFFFAOYSA-N 428.313 4.025 5 20 IIBD COc1cccc(-c2nc(C)c(C(=O)OCc3ccc(Br)c([N+](=O)[O-])c3)[nH]2)c1 773460832 HLBJJHZYEBZNJQ-UHFFFAOYSA-N 446.257 4.421 5 20 IIBD Cc1nn(C)c(C)c1[C@H](C)C(=O)O[C@@H](c1ccc(Br)cc1)C(C)(C)[N+](=O)[O-] 774373200 LPLKQEUDGABWSK-GTNSWQLSSA-N 438.322 4.243 5 20 IIBD COc1cc(CN2CCC(O)(c3ccccc3C(F)(F)F)CC2)c([N+](=O)[O-])cc1OC 775119532 CBRTUYGFVIMHQU-UHFFFAOYSA-N 440.418 4.114 5 20 IIBD O=C(Nc1nnc(SCc2cccs2)s1)c1cc([N+](=O)[O-])c2nsnc2c1 777800867 YBHSYKOBECJNPD-UHFFFAOYSA-N 436.525 4.057 5 20 IIBD CC(C)(C)OC(=O)N1Cc2ccc(CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2C1 781590061 KPEMQCHKWCVQPN-UHFFFAOYSA-N 431.876 4.429 5 20 IIBD COC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)OC(=O)c1ccc([N+](=O)[O-])cc1Cl 783097841 ZPYGWZGOVCBNQO-HNNXBMFYSA-N 431.750 4.208 5 20 IIBD O=C(Nc1cccc(C2SCCS2)c1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 783294732 VDZRXHNGZLPSKV-UHFFFAOYSA-N 443.550 4.203 5 20 IIBD CC(C)C(C)(C)C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 784015802 GJKXNZMLUNUEPU-GDNBJRDFSA-N 439.921 4.083 5 20 IIBD Cc1ccncc1/C=C\C(=O)O[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 786923637 QCYCUBYZBANTGS-AFNCTOJWSA-N 438.465 4.005 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cc(C(F)(F)F)cnc1Cl 789020711 ABRHJMWQSYNTIE-UHFFFAOYSA-N 428.710 4.069 5 20 IIBD O=C1CC[C@@H](C(=O)Oc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)n2cccc21 789405755 LZLDSYLWPBCHDV-FQEVSTJZSA-N 444.399 4.293 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC(C(=O)Nc2cccc(F)c2)CC1 790265647 OKKUPFTVUDICDC-UHFFFAOYSA-N 435.839 4.029 5 20 IIBD Cc1[nH]c2ccccc2c1CC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791171999 KFZANLBLOMUDIG-UHFFFAOYSA-N 428.286 4.274 5 20 IIBD CCC[C@H](NCc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1)c1cccc([N+](=O)[O-])c1 793570480 VAOMRBZEZMQWAQ-URXFXBBRSA-N 436.512 4.451 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c1 794037940 LMMXZTJPJAWAKR-KRWDZBQOSA-N 443.525 4.095 5 20 IIBD CC(=O)Nc1ccc(S(=O)(=O)Oc2cc(F)c([N+](=O)[O-])cc2Cl)c2ccccc12 796206941 JIWGQXGCGPROJZ-UHFFFAOYSA-N 438.820 4.267 5 20 IIBD O=C(NCc1cn(-c2ccccc2)nn1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 799346845 LGNFACZUSVAGIW-UHFFFAOYSA-N 431.477 4.257 5 20 IIBD CN(C(=O)COC(=O)c1c2c(nc3ccccc13)CCCCC2)c1ccc([N+](=O)[O-])cc1 799421461 KUBVPCLEFHGOBI-UHFFFAOYSA-N 433.464 4.232 5 20 IIBD C[C@H]1C[C@@H](C)O[C@@H]1C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 800305302 JNYFDYXATREIRA-YRQNITAISA-N 432.860 4.285 5 20 IIBD Cc1nc2ccc(C(=O)Nc3ccc([N+](=O)[O-])c(I)c3)cc2nc1C 801700216 ULJNWDUDUOELTG-UHFFFAOYSA-N 448.220 4.012 5 20 IIBD O=[N+]([O-])c1cc(CN(Cc2ccc(-n3cncn3)cc2)C2CC2)ccc1Br 801972342 LYNOTPMFUSQSNV-UHFFFAOYSA-N 428.290 4.103 5 20 IIBD C[C@H](OC(=O)c1cccc(C(=O)Nc2ccccc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 803910352 ZYFVPUIIMNVNRM-HNNXBMFYSA-N 433.420 4.031 5 20 IIBD Cc1c(C(=O)Nc2nc3c(Br)cccc3s2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 804870087 OUIAPIHRZLUSOV-UHFFFAOYSA-N 437.231 4.436 5 20 IIBD Cn1c(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(NC(=O)OC(C)(C)C)cc32)ccc1[N+](=O)[O-] 810956636 IALIRUYIYHXCFN-OAHLLOKOSA-N 444.488 4.313 5 20 IIBD CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 811216545 NGNVCPRLZLLGSC-ZBFHGGJFSA-N 431.514 4.046 5 20 IIBD CCc1c(C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cnn1-c1ccccn1 811219438 QKLWLRWLKBEZIL-UHFFFAOYSA-N 435.465 4.218 5 20 IIBD CCOc1ccc([C@@H](O)C2CCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)CC2)cc1 812678220 GDCIFTUUZZAHFD-XMMPIXPASA-N 441.528 4.158 5 20 IIBD O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)Oc1ccc(Oc2nccs2)cc1 815023366 SHRNSSJPLMDAOR-UHFFFAOYSA-N 430.822 4.404 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC12CCC2 816852959 BXGQYEUSBQBVCT-QGZVFWFLSA-N 444.532 4.221 5 20 IIBD O=C(c1cc([N+](=O)[O-])ncc1Br)N1CC[C@@H](Sc2cccc(Cl)c2)C1 817058375 PENMXMYFYAMBOD-GFCCVEGCSA-N 442.722 4.413 5 20 IIBD CN(C)C(=O)OC1CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 818702271 RCUIUWSFMKDZEY-UHFFFAOYSA-N 429.498 4.049 5 20 IIBD O=C(Nc1cccc(O)c1)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 912949940 NJFUNQIZRCFXES-UHFFFAOYSA-N 447.856 4.007 5 20 IIBD COc1ccc(N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1NC(=O)OC(C)(C)C 915224022 ANIDKLXFGBSUMD-ZDUSSCGKSA-N 430.461 4.390 5 20 IIBD C[C@@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(Cc2cc([N+](=O)[O-])ccc2Cl)C1=O 915668047 ZTCCBIYGFYEEDB-KRWDZBQOSA-N 427.766 4.234 5 20 IIBD CC1=C(C(=O)N(C)C)[C@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1c1ccc(F)c(Cl)c1 916167678 AUVUBGDOOSECBG-SFHVURJKSA-N 448.907 4.185 5 20 IIBD O=C(OCC(=O)N1CCc2ccccc2C1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 917256845 FKQFKWKKRXFJDT-UHFFFAOYSA-N 432.432 4.129 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Oc2cccc(NC(=O)c3ccccc3)c2)c1C 917907767 PJFQEAKJJUFVDD-UHFFFAOYSA-N 426.450 4.232 5 20 IIBD CC(C)Cc1ccc(C(=O)C2CCN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])CC2)cc1 918194421 WQNOQJFVEUPYSR-UHFFFAOYSA-N 448.516 4.216 5 20 IIBD C[C@@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(=O)N(C)Cc1nc2ccccc2s1 919210257 HJBDKIZHNHSZBG-GFCCVEGCSA-N 439.449 4.155 5 20 IIBD COC(=O)c1ccc(COC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 920543723 ACLSDHAXEWEGNM-OAHLLOKOSA-N 435.436 4.307 5 20 IIBD O=C(Cc1cccs1)Nc1nc(CC(=O)Oc2cc(Cl)ccc2[N+](=O)[O-])cs1 921134804 RZVNTZMPPBLBOP-UHFFFAOYSA-N 437.886 4.096 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Oc3cc(Cl)ccc3[N+](=O)[O-])cc2)c(C)c1[N+](=O)[O-] 921137060 XMEXNKYXIKQSSZ-UHFFFAOYSA-N 430.804 4.237 5 20 IIBD Nc1c(C(=O)Nc2ccc(Oc3ccncc3)cc2)cc(Br)cc1[N+](=O)[O-] 1116949152 UIZUWUIOEMRSBC-UHFFFAOYSA-N 429.230 4.379 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(Oc2ccc(Cl)cn2)cc1 1318503386 CCTBAWXCPXSHSN-UHFFFAOYSA-N 436.815 4.473 5 20 IIBD Nc1c(C(=O)N[C@H]2CCSc3c(F)cccc32)cc(Br)cc1[N+](=O)[O-] 1322729210 MBPLXDQJOIPGJM-LBPRGKRZSA-N 426.267 4.046 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(c1nnc(CCc3ccccc3)n1C[C@H]1CCCCO1)CC2 1323988231 NNGZRWQAGNLAND-HSZRJFAPSA-N 447.539 4.103 5 20 IIBD COc1cc(C(=O)NC2(c3ccc(NC(=O)C(C)C)cc3)CCC2)cc([N+](=O)[O-])c1OC 1787640169 NMENPRJXQUKHDW-UHFFFAOYSA-N 441.484 4.016 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)Nc1ccc(C2(NC(=O)C3=COCC3)CCC2)cc1 1790772668 ZNGIHRHICMCLSI-UHFFFAOYSA-N 439.443 4.094 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 1793939902 DGZMBWRYGOCPNV-ACDBMABISA-N 441.915 4.133 5 20 IIBD CCCCC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc(OC)cc1[N+](=O)[O-])C2 1801714849 NSXFHPYPRZNSLY-RSPOEFSDSA-N 445.560 4.001 5 20 IIBD Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)c1 1823613961 OKGBCRRIZRZZII-IBGZPJMESA-N 425.485 4.043 5 20 IIBD Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccc([N+](=O)[O-])o3)CC2)o1 1824275473 AFDATFXLYBFVGX-MBNRZODZSA-N 441.484 4.036 5 20 IIBD CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)CC1 1830292797 FUQBMOFUKZTSHA-JOCHJYFZSA-N 441.572 4.436 5 20 IIBD CCOC(=O)Nc1ccc2c(COC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc(=O)oc2c1 11028847 ADTJMHVPEMJGQJ-UHFFFAOYSA-N 446.799 4.280 5 20 IIBD COc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(OC)cc1NC(=O)c1ccccc1 11649793 UDNWDEKJRNURTC-UHFFFAOYSA-N 435.436 4.425 5 20 IIBD CCCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nc2cc(Cl)ccc2c1=O 22042103 OSRJAZJOUYZVMR-UHFFFAOYSA-N 432.889 4.099 5 20 IIBD CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 25917268 ODTGGVJUZIJMTK-UHFFFAOYSA-N 449.389 4.124 5 20 IIBD CNC(=O)Cc1ccc(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)cc1 29359203 NZCPCWXGFXPOJZ-UHFFFAOYSA-N 442.522 4.052 5 20 IIBD O=C(NCCCC1CCCC1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 31146459 UGNBFNSDAOOEAE-UHFFFAOYSA-N 431.514 4.096 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)c1 31540609 QQMIOCNPIFSVKS-UHFFFAOYSA-N 435.484 4.296 5 20 IIBD O=C(Nc1cc(Cl)ccc1O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 60093461 JVBHURSYXZLMEW-UHFFFAOYSA-N 447.856 4.007 5 20 IIBD O=C(Nc1ccc(Cn2cnc3ccccc32)cc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 63990885 GGAYAYDNLUEKBO-UHFFFAOYSA-N 438.447 4.431 5 20 IIBD CSc1ccc(Cl)cc1NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 64562889 LUUHYUFOZBRRFT-UHFFFAOYSA-N 440.934 4.022 5 20 IIBD CC(C)CCn1c(=O)c2ccccc2n2c(S/C=C/c3ccc([N+](=O)[O-])o3)nnc12 106933713 RVVDCVJAUUFUNJ-ZRDIBKRKSA-N 425.470 4.355 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cc(C(F)(F)F)ccc1NC(=O)OC(C)(C)C 116061496 UPFQAFPJBAYQLO-UHFFFAOYSA-N 443.382 4.104 5 20 IIBD Cc1ccc(-c2csc(NC(=O)CCNc3ccccc3[N+](=O)[O-])n2)cc1[N+](=O)[O-] 247988059 LAMKHTJYBIGRSJ-UHFFFAOYSA-N 427.442 4.376 5 20 IIBD C[C@H]1CCCN(C(=O)C2CCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])CC2)C1 301074348 IMTSRQCKELHAMH-SFHVURJKSA-N 435.524 4.301 5 20 IIBD Cc1ccc(-n2c(Sc3ncc([N+](=O)[O-])cc3Cl)nc3ccccc3c2=O)nc1 301284585 QCJCUABRCOAZOA-UHFFFAOYSA-N 425.857 4.197 5 20 IIBD Cc1cc(Sc2nnc(N3C[C@@H](C)C[C@H](C)C3)n2Cc2ccco2)ncc1[N+](=O)[O-] 301444483 QJKCHUQSHZLXPY-KBPBESRZSA-N 428.518 4.165 5 20 IIBD C[C@H](NC1(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CCCC1)c1ccccc1 303418421 XDKGYLSQSLLULF-SFHVURJKSA-N 433.512 4.174 5 20 IIBD C[C@@H](c1ccccc1)N1CCC(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 303742736 YTLMYUYPTMKXJX-FQEVSTJZSA-N 439.559 4.497 5 20 IIBD Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)C2)c1 303802179 LUVGUGAMVXCLAR-NRFANRHFSA-N 437.540 4.203 5 20 IIBD Cc1csc(-c2cccc(S(=O)(=O)n3cc(-c4cccc([N+](=O)[O-])c4)cn3)c2)n1 409517359 ZOJPIVORKBMJQM-UHFFFAOYSA-N 426.479 4.127 5 20 IIBD CC(C)(C)OC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1 427434796 JMRWQSRJHMDRJN-INIZCTEOSA-N 435.274 4.170 5 20 IIBD CCOc1cc(NC(=O)N2CCC(c3noc(C(C)C)n3)CC2)c([N+](=O)[O-])cc1OCC 432631188 JEHSXFSPBPYIME-UHFFFAOYSA-N 447.492 4.310 5 20 IIBD COc1ccccc1NC(=O)c1ccc(N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 433693441 CTRSOQXWQXNVGY-OAQYLSRUSA-N 446.463 4.073 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@](C)(CCc3ccccc3)C2)cc1OC 434248321 ISWGKMMRNHRVHF-XMMPIXPASA-N 442.512 4.114 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCCN(C(=O)CCc3ccccc3)CC2)cc1[N+](=O)[O-] 434506723 DNWJBLYJTZEJPZ-UHFFFAOYSA-N 437.540 4.200 5 20 IIBD CCN(CC)C(=O)Cc1ccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 436082248 KNAMUIYXGJCIDO-UHFFFAOYSA-N 427.504 4.345 5 20 IIBD C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 436116528 VTAINNPKVUOGQO-AWEZNQCLSA-N 432.451 4.300 5 20 IIBD CCn1c(CCNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)nc2ccccc21 436250928 HPWMJGHTGHFGLZ-UHFFFAOYSA-N 428.467 4.163 5 20 IIBD CCCOc1ccc(NC(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1Cl 437038920 FWYFLRVXQZNSJJ-UHFFFAOYSA-N 431.876 4.167 5 20 IIBD CCN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@@H](Cc1ccc(F)cc1)C(C)C 437102562 GWELIXVBLKCKQH-FQEVSTJZSA-N 425.464 4.044 5 20 IIBD C[C@H]1CC[C@H](CCC(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)O1 439027461 XVLKZWCCZLOTOR-ZWKOTPCHSA-N 443.569 4.315 5 20 IIBD Cc1ccc(OCc2ccccc2)c(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c1 442215735 LXVLRFAAJWCTBK-UHFFFAOYSA-N 429.436 4.315 5 20 IIBD CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 444120856 IORLSVGSETWMOE-HXUWFJFHSA-N 425.532 4.275 5 20 IIBD O=[N+]([O-])c1ccc2nc(N3CCCN(Cc4nc(-c5ccccc5)cs4)CC3)[nH]c2c1 444679346 ASKBBQWNNIVJKI-UHFFFAOYSA-N 434.525 4.307 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N(Cc1ccc(F)cc1F)C1CCCC1 446896655 QAZBMTOWMBSLLZ-UHFFFAOYSA-N 429.427 4.404 5 20 IIBD O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1ccnc(Oc2ccc(F)cc2F)c1 448222507 JOWPNMNBACUOTH-UHFFFAOYSA-N 437.362 4.498 5 20 IIBD COc1ccc(C(C)(C)CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC 463774561 LBYBWMSNMXZBKP-UHFFFAOYSA-N 426.391 4.338 5 20 IIBD C[C@H](Nc1ccc(C(=O)N(C)Cc2cc(Cl)cn2C)cc1[N+](=O)[O-])c1ccccn1 466855900 OAAZCECQEADDOJ-AWEZNQCLSA-N 427.892 4.427 5 20 IIBD CCOC(=O)c1cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2C)cc([N+](=O)[O-])c1C 467758154 NFSQIDXWPIVDIA-UHFFFAOYSA-N 446.403 4.208 5 20 IIBD CCOc1ccc(Oc2ccc(NC(=O)C(=O)NCCc3ccccc3[N+](=O)[O-])cc2)cc1 467984331 OSXAAPVONUGUGO-UHFFFAOYSA-N 449.463 4.083 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc(Br)c1F 469994085 VRKYWRADRJODRW-UHFFFAOYSA-N 436.193 4.017 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@H](c1cccc(Cl)c1)c1ccccn1 473875888 JSCOPMPVMFNNPZ-HXUWFJFHSA-N 425.876 4.144 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N(Cc1ccccc1)CC1(O)CCCC1 475510439 VIWDBILCGWFTPA-UHFFFAOYSA-N 447.329 4.234 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc(Br)ccc1Br 475598842 ALUHBSKEUMIQSJ-UHFFFAOYSA-N 444.079 4.058 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H](CO)c1c(Cl)cccc1Cl 478438392 XTOMWLBHBJLTPN-LBPRGKRZSA-N 435.716 4.497 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F 478454922 GYNRVBFWCWTWDV-QGZVFWFLSA-N 445.825 4.309 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(OCC(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)n1 479152595 ARNAVYXXXHKKJE-FQEVSTJZSA-N 444.491 4.415 5 20 IIBD O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1CCc2nnc(O)cc2C1 479424592 NPNFMXCPRGBREO-UHFFFAOYSA-N 442.884 4.094 5 20 IIBD O=C(NCCCOC1CCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1Cl 482419743 VXABULUXAVGWNE-UHFFFAOYSA-N 431.920 4.049 5 20 IIBD O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)c1cc([N+](=O)[O-])ccc1OC(F)F 485545586 PXICFYNYOAIHOV-UHFFFAOYSA-N 444.181 4.336 5 20 IIBD COc1cc(OC)c(OC)cc1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 486287684 ALBZVCIESYAJCK-UHFFFAOYSA-N 438.436 4.452 5 20 IIBD CSc1cccc(C(=O)N2CC[C@]3(CCCN(Cc4ccccc4)C3)C2)c1[N+](=O)[O-] 486428462 KMWZJHMHKKOERM-QHCPKHFHSA-N 425.554 4.445 5 20 IIBD Cc1c(NC(=O)[C@H](C)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)cccc1[N+](=O)[O-] 490020102 WHIYBAJUUMKHQH-HOTGVXAUSA-N 428.558 4.445 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 490301727 QEBQTIZUENICMA-INIZCTEOSA-N 449.913 4.342 5 20 IIBD O=C(CN[C@H]1CCC[C@H]1Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Br 493388824 RZLYRUSXQWVHFO-YJBOKZPZSA-N 432.318 4.297 5 20 IIBD CCNC(=O)c1cc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)nc2ccccc12 496833947 XAPIDSSQZOVMRF-UHFFFAOYSA-N 447.476 4.269 5 20 IIBD C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 498168282 ZIWWPNGKGJZDAK-PIGZYNQJSA-N 426.803 4.452 5 20 IIBD COC(=O)[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)Cc1cccc2ccccc12 498929830 PAEWCHKCIVEXHV-GOSISDBHSA-N 433.464 4.077 5 20 IIBD Cc1c(NC(=O)[C@H](C)N2CCO[C@@H](c3cccc(Br)c3)C2)cccc1[N+](=O)[O-] 500607019 KRXHMLSKZCKOSR-IFXJQAMLSA-N 448.317 4.066 5 20 IIBD COC(=O)c1cc(C(=O)N(Cc2csc(Br)c2)C2CC2)cc([N+](=O)[O-])c1 502412515 DDKZSDIOHCMOCP-UHFFFAOYSA-N 439.287 4.010 5 20 IIBD Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 505105113 ZSSWICRKCFSMJM-UHFFFAOYSA-N 432.358 4.238 5 20 IIBD COc1ccc([C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C(F)(F)F)cc1 505405449 XKIRCCXVVPWAJV-AWEZNQCLSA-N 433.180 4.399 5 20 IIBD CN(CCC1CCCCC1)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 506215329 NGKNYSUBTARILW-UHFFFAOYSA-N 445.541 4.438 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN(C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1 507300250 OQOKIZMOSHMNKZ-QGZVFWFLSA-N 436.917 4.192 5 20 IIBD C[C@H]1CN(Cc2ccc(CNC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)cc2)C[C@@H](C)O1 507311762 HGSFIFFDSZVCSW-FGTMMUONSA-N 443.569 4.001 5 20 IIBD Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 507926852 YQUHHSCTMAYNPU-LBPRGKRZSA-N 438.435 4.250 5 20 IIBD C[C@@H]1CN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc([N+](=O)[O-])cc2)CCC3)C[C@H]1O 512086051 AKJRCVPTTLQPSU-KGPMQJRASA-N 443.503 4.473 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCN(CCc2cccs2)CC1 512625260 MRUCTQZRWHXOBT-UHFFFAOYSA-N 437.521 4.449 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)NCc2ccc(Sc3ccccc3)cc2)cc1[N+](=O)[O-] 513806230 FTUMIBRCTZVOKE-UHFFFAOYSA-N 442.518 4.080 5 20 IIBD COc1cccc(OC(F)(F)F)c1CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl 514828671 IHHWPDXYSCGKRU-UHFFFAOYSA-N 433.770 4.155 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1nnc(C(F)(F)F)s1 515864355 ZGGYPLFETQYOTB-UHFFFAOYSA-N 432.327 4.215 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N(Cc1ccccc1F)c1ccc(F)cc1 517174496 ZDRYCEPDCOHICG-UHFFFAOYSA-N 439.374 4.014 5 20 IIBD O=[N+]([O-])c1cccc(-c2ccc(CNC[C@H](O)COc3cccc(C(F)(F)F)c3)o2)c1 517549830 SPUQBDUCCCCLKV-KRWDZBQOSA-N 436.386 4.403 5 20 IIBD O=C(Nc1ccc2nc(-c3ccc(F)cc3)oc2c1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 517666088 SFDNYWBKZMLITQ-UHFFFAOYSA-N 444.382 4.375 5 20 IIBD C[C@H](Nc1ccc(-c2nc(CC(=O)Nc3ccccc3)no2)cc1[N+](=O)[O-])c1ccccn1 518876105 QUONCUYOCSSKIS-HNNXBMFYSA-N 444.451 4.394 5 20 IIBD COc1cc(OCC(=O)N[C@H](C)c2ccc(-c3csc(C)n3)cc2)ccc1[N+](=O)[O-] 519985215 BTMPXFKWIUCTIL-CYBMUJFWSA-N 427.482 4.292 5 20 IIBD Cc1ccccc1[C@@H](C)CC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 523812343 RQEUIYPZTFEQFR-AWEZNQCLSA-N 445.522 4.325 5 20 IIBD COc1ccc(CC(=O)N2CCCC[C@H]2c2ncc(-c3cccc(F)c3)[nH]2)cc1[N+](=O)[O-] 530405993 SRANLHYQBAJXLJ-IBGZPJMESA-N 438.459 4.429 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N2CCC[C@H](c3nc4ccccc4s3)C2)c([N+](=O)[O-])c1 532625633 DPTMBVVVJOAAGK-CABCVRRESA-N 440.525 4.420 5 20 IIBD C[C@@]1(c2ccc(F)cc2Cl)NC(=O)N(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1=O 534767229 KCZDLGBPCAVKHY-FQEVSTJZSA-N 444.806 4.010 5 20 IIBD CC(C)c1ccccc1NC(=O)C[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534796134 IWFTWSUWWPQNAU-PMERELPUSA-N 427.482 4.261 5 20 IIBD C[C@H](C(=O)Nc1ccccc1Cl)[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 536304530 BWYMIXRHIGDZGM-XETJZTBLSA-N 433.873 4.179 5 20 IIBD Cc1noc(COc2ccc(NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1 541261770 AQIZLSNYHUGYDT-UHFFFAOYSA-N 434.861 4.249 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 542229332 WJWKYZOEEXEEFK-UHFFFAOYSA-N 438.311 4.061 5 20 IIBD C[C@@H](C(=O)N1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])cc1F 542618797 NDKJSYNMABURQT-CQSZACIVSA-N 448.882 4.257 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 543904090 CVRFVRUWDVJFRY-CQSZACIVSA-N 425.938 4.130 5 20 IIBD O=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 544012839 RSWUGAICIVXVIN-UHFFFAOYSA-N 442.357 4.237 5 20 IIBD Cc1cc(Br)cn2cc(CNC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)nc12 544773730 CYIWSBRPTWHPFJ-LBPRGKRZSA-N 449.330 4.110 5 20 IIBD CCOc1ccc(-c2nc(CSc3nc4cc([N+](=O)[O-])ccc4c(=O)n3C)co2)cc1 545107297 DQHPRZFBRISHHI-UHFFFAOYSA-N 438.465 4.188 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1nc([C@@H]2OCCc3ccccc32)no1 545718401 LJNSQQRVKOSBCT-GOSISDBHSA-N 434.374 4.313 5 20 IIBD O=C1CCCN1c1cccc(-c2noc(-c3cc(Br)cc([N+](=O)[O-])c3)n2)c1 546282473 OHSVFLSOAPQSTE-UHFFFAOYSA-N 429.230 4.201 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1OCCc1nc(Cc2ccccc2OC(F)F)no1 546292075 AVFBKUBZZGAFHH-UHFFFAOYSA-N 425.775 4.445 5 20 IIBD O=[N+]([O-])c1ccc(SCc2nc(Cc3ccn(-c4c(F)cccc4F)n3)no2)cc1 547253222 GGCKHPXZXNXIFZ-UHFFFAOYSA-N 429.408 4.325 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1 552973350 SXMOVUPFOGLRKG-UHFFFAOYSA-N 440.359 4.273 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(Sc2nncn2C)cc1 555839325 IWAQWDFHYUIFLE-UHFFFAOYSA-N 448.302 4.198 5 20 IIBD CC[C@@H](c1ccccc1OC)N(C)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 557863216 IKUXLXPAYYYOPA-INIZCTEOSA-N 443.319 4.138 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ccc(Br)cc1 560172791 VTCLAEIOZVTUHA-LBPRGKRZSA-N 448.317 4.471 5 20 IIBD CN(C)C(=O)C[C@@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 560228518 HYKNMJZAMOIXMC-OAQYLSRUSA-N 432.480 4.288 5 20 IIBD O=C(Nc1cccc2cc(Br)cnc12)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 561046162 DLMFOPYMWSRFFC-UHFFFAOYSA-N 438.241 4.344 5 20 IIBD C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 566966316 PCNORPDIRDCLJF-JLCFBVMHSA-N 446.419 4.208 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 568922304 IORGLHIJOOHDJU-OAQYLSRUSA-N 445.519 4.301 5 20 IIBD CCCc1nc(C)c(CNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)o1 572390348 BRYXWGQRXQHTRX-UHFFFAOYSA-N 438.271 4.266 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(-c2cccc(C(=O)N(C)C)c2)no1 574484076 NRAYOSVXHXIPMP-UHFFFAOYSA-N 431.246 4.085 5 20 IIBD CCN(C(=O)c1cc([N+](=O)[O-])cnc1N)[C@H]1CCSc2ccc(Br)cc21 582994605 JHZJRBAHSUCBSJ-AWEZNQCLSA-N 437.319 4.034 5 20 IIBD O=[N+]([O-])c1cc2c(N3CCc4[nH]c5c(Br)cccc5c4C3)ncnc2s1 587454958 NONYFZSOFGLHCE-UHFFFAOYSA-N 430.287 4.406 5 20 IIBD C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C1 587989445 QUNOYYFMFLNKAM-QAPCUYQASA-N 437.525 4.488 5 20 IIBD O=[N+]([O-])c1ccccc1-c1ccc(CNCc2ccncc2OC[C@@H]2CCOC2)s1 588931927 NIZHQYMXZKGQHW-MRXNPFEDSA-N 425.510 4.423 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H](C)c1ccccc1Br 589396758 PPTZMGNGJLMIMR-GFCCVEGCSA-N 434.290 4.078 5 20 IIBD Cc1ccc(Nc2ccccc2C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 590530558 UJPYSIAFEXCOOR-UHFFFAOYSA-N 444.491 4.245 5 20 IIBD COc1ccc([C@@H](CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)N2CCCCC2)cc1 604118938 BQGPCRFGXZARDI-VGOFRKELSA-N 426.517 4.191 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 604318955 WMRZPQRGBBJMIU-RYUDHWBXSA-N 427.345 4.346 5 20 IIBD COC(=O)c1ccc2c(c1)CN(C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1)C2 609303210 YLLIHDRUKWLVKU-UHFFFAOYSA-N 448.431 4.338 5 20 IIBD Cc1ccc([C@@H](NC(=O)CCn2cc([N+](=O)[O-])nc2C)c2ccc(F)cc2Cl)cc1 609374307 OYOFSZLNYUAYBB-OAQYLSRUSA-N 430.867 4.497 5 20 IIBD COc1ccccc1[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 609387882 WYKQXJGIZVBLAT-HXUWFJFHSA-N 432.885 4.325 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 609665037 UUGZRRQTUUFEBX-AWEZNQCLSA-N 425.432 4.101 5 20 IIBD CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 609702145 JLEBDMYICDMISB-AZUAARDMSA-N 438.528 4.020 5 20 IIBD Cc1ccc([C@@H]2COCCN2C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)o1 609728921 FGOUAVBXYFDRFV-QYWGDWMGSA-N 427.501 4.192 5 20 IIBD CN(C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1ccc(Cl)cn1 609907245 BLMBZBJXYGLITP-UHFFFAOYSA-N 426.647 4.412 5 20 IIBD O=C(CNc1cccc(Cl)c1SCC(F)F)Nc1cc2c(cc1[N+](=O)[O-])OCO2 609915366 WRZOSNHTQKLKJG-UHFFFAOYSA-N 445.831 4.385 5 20 IIBD COc1cc(C(=O)N[C@H]2CC[C@@H](CO)CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 610871239 YEAJPWGCBGYQLR-AKAXFMLLSA-N 434.876 4.330 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCc3sc(Br)cc3C2)c1 610935161 LILVYAVZFQNAAT-UHFFFAOYSA-N 425.304 4.081 5 20 IIBD CC(C)(C)OC(=O)NCCc1ccc(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1 725746306 FGTUWCYQCDRJIP-UHFFFAOYSA-N 438.484 4.073 5 20 IIBD COc1ccc(NC(=S)/C(=C(/O)c2ccc(C)c([N+](=O)[O-])c2)[n+]2cccc(C)c2)cn1 726963293 VPQJQHFBNSQYPQ-UHFFFAOYSA-O 437.501 4.226 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 727124707 OZMIMKJTHZWPNX-SFHVURJKSA-N 433.892 4.473 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(CC[C@@H](O)c2ccccc2)cc1 727359918 DBJUAFWSZKYFAE-OAQYLSRUSA-N 426.494 4.370 5 20 IIBD COC(=O)CCSCc1cccc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1 728833789 LXMJAFNLZFMBKL-UHFFFAOYSA-N 447.469 4.168 5 20 IIBD Cc1sc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc1-c1cccc([N+](=O)[O-])c1 730173571 ZBNYWBIRDKFZRE-CQSZACIVSA-N 440.456 4.157 5 20 IIBD COCc1cc(CNc2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])ccc1F 730805072 CYRNYTKEIRIARH-UHFFFAOYSA-N 444.213 4.172 5 20 IIBD Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2)cc1 731457809 FEAHHCFPRGJBPZ-UHFFFAOYSA-N 444.440 4.087 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1F 732524807 MFEHHKTZMNEHDS-UHFFFAOYSA-N 439.465 4.444 5 20 IIBD CC(C)[C@H](c1ccccc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 732987380 DKROBYROEFODRG-QGZVFWFLSA-N 427.320 4.375 5 20 IIBD C[C@H](CC(=O)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(C(F)(F)F)cc1 733523812 PRKNGMNRIHADQQ-CYBMUJFWSA-N 436.386 4.240 5 20 IIBD Cc1cc(=O)c(C(=O)OCCc2ccc3ccccc3c2)nn1-c1ccccc1[N+](=O)[O-] 733859946 ZJXLEOLKDQLVCI-UHFFFAOYSA-N 429.432 4.002 5 20 IIBD O=C(OCC(=O)N(c1ccccc1)C1CCCCC1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 735352289 IPHUUSYBLKFVSK-UHFFFAOYSA-N 449.463 4.371 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc1[N+](=O)[O-] 736418222 AFYVLZYNKVABJH-UHFFFAOYSA-N 444.444 4.487 5 20 IIBD Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1NC(=O)NC(C)(C)C 741052133 MGSJBTAKHOJZQR-AWEZNQCLSA-N 442.472 4.007 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@@H](C)OCc3ccccc3)CC2)ccc1[N+](=O)[O-] 744204934 UQLSHNUJCAUYQH-QGZVFWFLSA-N 428.485 4.111 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 745334896 JFWGCJKGJGSTOL-NWDGAFQWSA-N 425.268 4.253 5 20 IIBD CN(C(=O)COC(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)c1ccc([N+](=O)[O-])cc1 745428027 GXDWRAKYBLNSKY-UHFFFAOYSA-N 444.365 4.499 5 20 IIBD COc1ccc(CSCC(=O)OCc2cc(Cl)ccc2[N+](=O)[O-])cc1[N+](=O)[O-] 746065797 WSLMVPXNHQYLOZ-UHFFFAOYSA-N 426.834 4.142 5 20 IIBD Cc1c(C(=O)O[C@H](C)C(=O)Nc2cc(Cl)ccc2F)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748949282 FVLLFDIBNAHXNA-SNVBAGLBSA-N 439.783 4.096 5 20 IIBD Cc1ccc([C@@H](C)N/C=C2\C(=O)N(c3ccccn3)C(=O)c3ccccc32)cc1[N+](=O)[O-] 751924303 PAJNSFIPLSZEKX-ZHTGWBIJSA-N 428.448 4.177 5 20 IIBD O=C(CCN(Cc1ccccc1)C[C@@H](O)c1cccs1)Nc1cc([N+](=O)[O-])ccc1F 753920175 WGJAQRXLVQDDPK-HXUWFJFHSA-N 443.500 4.360 5 20 IIBD O=C(Nc1cccc(-c2ncco2)c1)c1ccc(I)c([N+](=O)[O-])c1 754434778 UEEPBXZJLTZJCH-UHFFFAOYSA-N 435.177 4.107 5 20 IIBD O=C(NCc1ccc(OC2CCCC2)nc1)c1cc(F)cc([N+](=O)[O-])c1Br 754634383 DLMRIAHYEDERAW-UHFFFAOYSA-N 438.253 4.143 5 20 IIBD CCN(Cc1ccc(CN(C)C)cc1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 755030972 RHTXQACBXZMNOQ-UHFFFAOYSA-N 435.322 4.473 5 20 IIBD COc1cc(S(=O)(=O)Oc2cc(C)ccc2NC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] 755280509 OVZNKFCSFAYNPE-UHFFFAOYSA-N 438.458 4.027 5 20 IIBD O=[N+]([O-])c1cc2c(c(CSc3ccc(Br)cc3[N+](=O)[O-])c1)OCOC2 755910930 OWYAAFULZPYVGL-UHFFFAOYSA-N 427.232 4.424 5 20 IIBD CC(C)[C@H](OC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C(=O)Nc1ccccc1C(F)(F)F 758083572 HTEVCHREQMZICQ-INIZCTEOSA-N 443.353 4.155 5 20 IIBD CCn1c(S[C@@H]2CCCN(Cc3ccccc3)C2=O)nnc1-c1ccc([N+](=O)[O-])cc1 760264519 VGMQBBCOKUJPBK-LJQANCHMSA-N 437.525 4.157 5 20 IIBD Cc1cc(Br)c(O)c(NC(=O)c2cccc([N+](=O)[O-])c2Br)c1 760874036 SNTSMRXHXXTQSS-UHFFFAOYSA-N 430.052 4.386 5 20 IIBD CCN(CC1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1)C(=O)OC(C)(C)C 761908624 SOQKRXNFTFSBGO-UHFFFAOYSA-N 443.342 4.226 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(C3SCCS3)c2)c2ncccc12 766352747 FPCACPBSBJAHBQ-UHFFFAOYSA-N 433.536 4.422 5 20 IIBD COc1ccc(NC(=O)CNc2ccc(OCC(F)F)c(C(F)(F)F)c2)c([N+](=O)[O-])c1 766776610 XFGWSVABXPQBML-UHFFFAOYSA-N 449.332 4.317 5 20 IIBD O=C(O)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 766858199 HCXUODQFXGHLIJ-UHFFFAOYSA-N 439.811 4.451 5 20 IIBD CC[C@@H](OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1cccc(Br)c1 768173983 HCMNKCNLXYADIK-OAHLLOKOSA-N 442.287 4.069 5 20 IIBD COc1ccc2c(c1)CCC[C@@H]2CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 768534874 PHPJBBUIJJYRJW-GFCCVEGCSA-N 437.265 4.355 5 20 IIBD Cc1cnc(-c2ccccc2NC(=O)c2cc([N+](=O)[O-])ccc2I)[nH]1 769321799 FTDITFAXHVZFSU-UHFFFAOYSA-N 448.220 4.150 5 20 IIBD CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1CCC(NC(=O)OC(C)(C)C)CC1 769565394 NQXFCKNWOJGILC-UHFFFAOYSA-N 443.548 4.263 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(O)(c2ccccc2Cl)CC1 769810681 AYUVWZZCZPEHCM-CYBMUJFWSA-N 438.311 4.212 5 20 IIBD O=C(Oc1cc(F)cc([N+](=O)[O-])c1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 771482298 XFZSFYYFKZFPLJ-UHFFFAOYSA-N 427.837 4.079 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(c3ccc(N(C)C)cc3)CC2)cc1OC 773416457 IOVLPBORQAYRIF-UHFFFAOYSA-N 427.501 4.088 5 20 IIBD CC(=O)N1CCc2ccccc2[C@H]1CC(=O)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776132504 FKAYEKICQYVILN-ILBGXUMGSA-N 445.475 4.158 5 20 IIBD Cc1cc(C(=O)Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)c(C)n1NC(=O)c1ccccc1 777940771 RRBOZKMOALOZFI-UHFFFAOYSA-N 443.463 4.143 5 20 IIBD C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)OCc1ccc([N+](=O)[O-])cc1Cl 778092866 CMDWZRDDBWFRQE-NSHDSACASA-N 426.853 4.191 5 20 IIBD COc1cc(CNc2cc(N3CCCC3=O)ccc2F)c([N+](=O)[O-])cc1OCC(F)F 779034956 AOLKHMKZXLHXPO-UHFFFAOYSA-N 439.390 4.125 5 20 IIBD COc1cc(COC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])cc1OCC(F)F 780060440 KQJIANSOPFXPOT-GJZGRUSLSA-N 425.359 4.233 5 20 IIBD CC(C)[C@@H](OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)N1C[C@H](C)C[C@@H](C)C1 781260144 NSQCZBCQJPCXIA-HOZJOUCCSA-N 434.536 4.367 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 781707418 WBVBGQSPAOLJPI-OAHLLOKOSA-N 444.513 4.177 5 20 IIBD COc1cc(C(=O)OCc2cc(F)ccc2C)c([N+](=O)[O-])cc1OCc1cscn1 782261588 LAFNIFAWNXGIMC-UHFFFAOYSA-N 432.429 4.443 5 20 IIBD CCOCN(C(=O)COC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1c(C)cccc1CC 782959209 AIFPPSGTAWRBQZ-UHFFFAOYSA-N 440.452 4.396 5 20 IIBD CCN(C(=O)[C@H](C)OC(=O)c1cccc([N+](=O)[O-])c1Br)C1CCCCC1 784632943 SGCJTOFHMVZZFZ-LBPRGKRZSA-N 427.295 4.084 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N(Cc1cc(F)ccc1F)C1CCCC1 785184874 CWLMPDGGYZOAMB-UHFFFAOYSA-N 437.830 4.436 5 20 IIBD O=C(NCc1cccc2cc[nH]c12)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 786254839 INPCCYULONRWGM-UHFFFAOYSA-N 447.417 4.127 5 20 IIBD C[C@H]1C[C@H](O)CN1Cc1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1 788268955 JFSQCRTZMZIEJO-FZMZJTMJSA-N 446.510 4.219 5 20 IIBD Cc1cc(C(=O)O[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)ccn1 789027801 KUZHJAOXFHFCQT-LJQANCHMSA-N 425.828 4.488 5 20 IIBD Cc1c(CNC(=O)N(CCNC(=O)OC(C)(C)C)Cc2ccccc2)cccc1[N+](=O)[O-] 790565137 WGSFZSSMOFUSGZ-UHFFFAOYSA-N 442.516 4.140 5 20 IIBD COc1ccccc1-c1nc(C2CCN(C(=O)c3cc([N+](=O)[O-])cc(C)c3F)CC2)no1 791033889 VTPVQJOOBVJBLL-UHFFFAOYSA-N 440.431 4.121 5 20 IIBD CCn1ccnc1[C@H]1CCCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br 797775586 FTASHVPCWFWUDW-CYBMUJFWSA-N 425.258 4.080 5 20 IIBD O=C(NCCn1cc(Br)cn1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 804694101 HADNOBXXJYXYNQ-UHFFFAOYSA-N 439.335 4.019 5 20 IIBD O=C(NC1[C@H]2CC[C@H]1Cc1ccccc1C2)c1cc(F)cc([N+](=O)[O-])c1Br 805305579 MOKAVTJTFXFLIT-KBPBESRZSA-N 433.277 4.420 5 20 IIBD COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 807310268 DDXFVHMFFCPCPJ-DYVFJYSZSA-N 431.876 4.195 5 20 IIBD O=C(c1ccccc1)N(Cc1noc(-c2cc([N+](=O)[O-])ccc2N2CCCCC2)n1)C1CC1 809418279 YCFBWKBZLCTDQY-UHFFFAOYSA-N 447.495 4.440 5 20 IIBD CCn1ccnc1[C@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 809844049 TZZNXFZQNZGOGS-CYBMUJFWSA-N 433.317 4.034 5 20 IIBD O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CC(c2cccc(F)c2)=NO1 811215865 DLOODSVDPIEXKX-SFHVURJKSA-N 427.413 4.094 5 20 IIBD COc1ccc(C2=N/C(=C/c3cc(Cl)cc(Cl)c3[N+](=O)[O-])C(=O)O2)cc1[N+](=O)[O-] 811625168 GAPNZAOVQCFGJW-LFYBBSHMSA-N 438.179 4.163 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 813529169 ULRXJEGNUMPAQF-GFCCVEGCSA-N 432.304 4.421 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2C[C@H](C(F)(F)F)OC(C)(C)C2)CC1 816995624 YKPMOWHJRMEJSV-QGZVFWFLSA-N 429.439 4.013 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)CC2)C1 817209012 AVTQEZXRASZWJB-UHFFFAOYSA-N 431.533 4.122 5 20 IIBD COCc1nc2ccccc2c(C)c1C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 818111846 HAMQCAZDJUGOMV-UHFFFAOYSA-N 434.408 4.005 5 20 IIBD C[C@H](OC(=O)/C=C/c1nc2ccccc2s1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 849190263 ACFVHSIRKUMNEE-FBOQAHMBSA-N 431.857 4.442 5 20 IIBD CCCCOc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1OC 916446868 MBVXURYSEMEWOA-CQSZACIVSA-N 431.445 4.490 5 20 IIBD COc1ccc(CSCC(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)cc1[N+](=O)[O-] 917770326 BWEVTVNFDDAAQG-UHFFFAOYSA-N 437.468 4.354 5 20 IIBD COc1ccccc1OCCN(C)C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 917819737 NOAAIWYMZDBIJD-UHFFFAOYSA-N 444.431 4.252 5 20 IIBD O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 918539308 BYLVYRXRGUUTBF-VIFPVBQESA-N 445.756 4.398 5 20 IIBD O=C(OCc1cc(Cl)ccc1OCc1cccnc1)c1cc2c(cc1[N+](=O)[O-])OCO2 918894710 QWCLQBVBNBFTBP-UHFFFAOYSA-N 442.811 4.308 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)[C@H](C)Sc2ccccc2Cl)c([N+](=O)[O-])c1 919512245 SZCNWSIZKKUSHL-LBPRGKRZSA-N 438.889 4.309 5 20 IIBD C[C@H](Nc1ccc(C(=O)OCC(=O)N[C@H]2CCCC[C@H]2C)cc1[N+](=O)[O-])c1ccccn1 920546985 MRXYFHBFIXVZLP-RYRKJORJSA-N 440.500 4.015 5 20 IIBD Nc1c(C(=O)Nc2ccccc2N2C[C@H]3CC[C@H]2C3)cc(Br)cc1[N+](=O)[O-] 1116936985 RSEZXHQSMGGJBF-AAEUAGOBSA-N 431.290 4.181 5 20 IIBD O=C(Nc1cccc(-c2nnc(-c3cccc([N+](=O)[O-])c3)o2)c1)[C@H]1Cc2ccccc2O1 1117164417 AHHCEDXIXGAATN-HXUWFJFHSA-N 428.404 4.254 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(-c4nc(C5CC5)n(-c5ccccc5)n4)n3)c2c1 1320220107 YWFYOABHHNWPHG-UHFFFAOYSA-N 427.424 4.175 5 20 IIBD C[C@H]1C[C@]1(C)C(=O)NC1(c2ccc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCC4)cc2)CCC1 1790045000 AKQHPQHFGHLJKM-OWJWWREXSA-N 449.507 4.324 5 20 IIBD C/C=C/C(=O)Nc1ccc(C2(NC(=O)Cn3ccc4ccc([N+](=O)[O-])cc43)CCC2)cc1 1791211527 UVPUZOPQHFDCGM-DUXPYHPUSA-N 432.480 4.260 5 20 IIBD C[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccccc1 1800526054 DWPGEGVRNACIJJ-HUJKARHJSA-N 439.487 4.180 5 20 IIBD Cc1cc(C)cc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C3)c1 1802654582 MJGMFSGWTHWULT-NUNAXRQHSA-N 449.551 4.025 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccc(C2CC2)cc1 1804345682 RLMPREQBMGDUPO-DVRPQVHLSA-N 445.519 4.437 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC2(CCCN2C(=O)C2CCCCC2)C1 1842605466 JUSHCGUPUMANKP-UHFFFAOYSA-N 427.526 4.207 5 20 IIBD COc1ccc([C@@H](N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c2ccccc2)cc1 10351645 JVUJHFMTLSAHBJ-HJPURHCSSA-N 435.480 4.318 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Br)cc1 11025121 HTPYOCRLHMDZLK-SNVBAGLBSA-N 441.665 4.045 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(Br)cc2Cl)cc([N+](=O)[O-])c1 14785265 LQFJXHICMYHJQZ-UHFFFAOYSA-N 427.638 4.440 5 20 IIBD CNC(=O)c1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cc1 15634441 UDFFHCUWOSIRQQ-UHFFFAOYSA-N 435.505 4.378 5 20 IIBD CC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(-c4ccccc4)cc3)cc2[N+](=O)[O-])CC1 17169300 ZEHYAZXPJGZELV-UHFFFAOYSA-N 444.491 4.183 5 20 IIBD O=Cc1ccc(OCC(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c([N+](=O)[O-])c1 23632269 OAQPIMSPCWSZOF-UHFFFAOYSA-N 434.408 4.069 5 20 IIBD Cc1c(NC(=O)[C@@H](C)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] 26333213 SYLDDBOQBCZVGY-GFCCVEGCSA-N 439.299 4.108 5 20 IIBD O=C(NCc1ccccc1F)c1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1 58416917 RIBUUKZGPUEJQW-UHFFFAOYSA-N 432.411 4.398 5 20 IIBD O=C(CN(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-])Nc1ccccc1F 58494052 AWTBRHUVKOEFAY-UHFFFAOYSA-N 439.418 4.083 5 20 IIBD COC(=O)c1occc1CN1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 61309850 BINDOGKLLLSRKR-UHFFFAOYSA-N 441.509 4.021 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3ccc(S(C)(=O)=O)cc3)cc2[N+](=O)[O-])n1 68718053 XUQNQEAJCFEDMB-UHFFFAOYSA-N 449.535 4.167 5 20 IIBD Cc1nn(CCC(=O)Nc2ccc(OCc3cccc(F)c3)c(F)c2)c(C)c1[N+](=O)[O-] 97548508 BMYDMEUAMZORJQ-UHFFFAOYSA-N 430.411 4.294 5 20 IIBD C[C@H](Nc1ccc(C(=O)N(C)C[C@H]2COc3ccccc3O2)cc1[N+](=O)[O-])c1ccccn1 108753530 QPBCLRTZAMVESV-WMZOPIPTSA-N 448.479 4.075 5 20 IIBD Cc1cccc([C@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)N2CCOCC2)c1 237872311 AFGSDXMLZFLLKK-QFIPXVFZSA-N 438.553 4.190 5 20 IIBD C[C@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])c1noc(-c2ccccc2)n1 301678537 UBXUNZSLRPWSLO-JTQLQIEISA-N 442.375 4.111 5 20 IIBD CCn1c(Sc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])nnc1-c1cnccn1 301732089 YIANJZWXGYFTJJ-UHFFFAOYSA-N 430.799 4.487 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cc(Br)ccc1Br 318819246 VCFJRTIAXQJRMF-UHFFFAOYSA-N 428.080 4.092 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(Cc2ccc(F)cc2)C2CCOCC2)cc1SC 427744643 VXIBVUJXDMJJKY-UHFFFAOYSA-N 434.489 4.286 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N2CCC[C@@H](N(C)C)CC2)cc1[N+](=O)[O-] 430430589 LRDYIXBRVPILCI-QGZVFWFLSA-N 441.553 4.104 5 20 IIBD CC(C)(NC(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1)c1ccccc1[N+](=O)[O-] 433147717 ZXOZYKAFGHWDEO-UHFFFAOYSA-N 433.530 4.365 5 20 IIBD C[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2cccc(F)c2)no1 437146707 ZBMRDSWRTAMJMF-NSHDSACASA-N 434.811 4.084 5 20 IIBD CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 437578114 FYHKLUJEFYKILL-UHFFFAOYSA-N 429.763 4.242 5 20 IIBD CN(C)C(=O)c1cccc(CCNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1 438486720 HMKDRUYCEIILJW-UHFFFAOYSA-N 448.479 4.453 5 20 IIBD Nc1c(C(=O)Nc2ccc(Cl)c(C(=O)NCc3cccs3)c2)cccc1[N+](=O)[O-] 438936272 WTLBTTSJXKSJBL-UHFFFAOYSA-N 430.873 4.074 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(COCc2ccccc2)cc1 440013215 SKOCVVWIXQCTBR-UHFFFAOYSA-N 449.463 4.288 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](c1cccc(F)c1)C1CCCC1 440072717 OCCRTQDZENFTDO-HXUWFJFHSA-N 429.448 4.119 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 443732657 MBEFRLUJFCLESC-AWEZNQCLSA-N 433.461 4.006 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CN1Cc1ccccc1 444224482 JVIQLRDKBNOVNJ-SJLPKXTDSA-N 429.495 4.213 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 444736149 PYBLYMWWFOIPRV-UHFFFAOYSA-N 443.459 4.303 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OCC(F)F)cc2)c(C(F)(F)F)c1 447009311 XXZZPWDHNHAYAP-UHFFFAOYSA-N 426.319 4.058 5 20 IIBD O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCC2CCN(Cc3ccccc3Cl)CC2)n1 447525819 AASMPSFFZJZXEX-RTWAWAEBSA-N 431.968 4.430 5 20 IIBD O=C(Nc1cc(-c2ccccc2F)on1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 448489894 KFGBASHTRJOPGM-UHFFFAOYSA-N 435.361 5.006 5 20 IIBD CCCS(=O)(=O)Nc1cccc(NC(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)c1C 462491513 RWJUMPJDFYOBCP-QGZVFWFLSA-N 433.530 4.262 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1SCCc2ccccc21 463654710 XFOOSLLHAALQSL-KRWDZBQOSA-N 425.432 4.172 5 20 IIBD COc1ccc(NC(=O)C(=O)N(Cc2ccccc2)[C@H](C)c2ccccc2)cc1[N+](=O)[O-] 463943459 ZQGDFQNNQPLBAF-QGZVFWFLSA-N 433.464 4.332 5 20 IIBD CNC(=O)[C@H]1CCC[C@@H]1NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 466537978 DNISDSJOOPKENB-HOCLYGCPSA-N 433.917 4.044 5 20 IIBD CC[C@@H]1CN(C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CCCO1 466759993 CUBNBINVFUNEQK-MRXNPFEDSA-N 428.510 4.189 5 20 IIBD C[C@@H]1[C@@H](N(Cc2c(F)cccc2Cl)C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCC[C@H]1C 469076469 XVBOXJBJSJUIHT-VCBZYWHSSA-N 449.910 4.403 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)c1c(-c2c(Cl)cccc2OC)noc1C 475014940 CESRGFGKSKAOKV-UHFFFAOYSA-N 431.832 4.159 5 20 IIBD CCc1ccc(C(=O)N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)cc1[N+](=O)[O-] 475843266 JEWHVGSAAGYLRB-GOSISDBHSA-N 437.265 4.273 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(F)c(F)cc2C(=O)c2ccccc2)cc([N+](=O)[O-])c1 476102819 LTGXZEPUTVNWLF-UHFFFAOYSA-N 440.358 4.143 5 20 IIBD CC(=O)NCC[C@@H]1CCCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 476151003 MCZGEMIEPMYRFO-KRWDZBQOSA-N 426.473 4.157 5 20 IIBD C[C@@H](CCCO)NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 477693148 IZDRITVBJXKQFS-XOAFGZPJSA-N 425.510 4.412 5 20 IIBD O=C(CN[C@H](c1ccccc1)c1nccs1)Nc1ccc([N+](=O)[O-])cc1Br 479867897 VRMAVBBATQKMSL-QGZVFWFLSA-N 447.314 4.132 5 20 IIBD C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1cccc(NC(=O)c2ccccc2)c1 480376714 IYARUWFWSYNKEG-HNNXBMFYSA-N 447.447 4.109 5 20 IIBD CCS(=O)(=O)c1ccc(N2CCC(N[C@@H](C)c3cccc([N+](=O)[O-])c3C)CC2)cc1 481733542 FSJHSPJPZKZFHD-KRWDZBQOSA-N 431.558 4.016 5 20 IIBD COC(=O)c1cc2cc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)ccc2o1 482733400 OMPZUJCDEYBLKR-UHFFFAOYSA-N 426.428 4.326 5 20 IIBD COC(=O)C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 482913070 UJIVZFUKGHPPBQ-AWEZNQCLSA-N 430.766 4.301 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 483126265 YQQJKIIKTPSQTR-ZDUSSCGKSA-N 448.932 4.246 5 20 IIBD COc1cc(C(=O)N[C@@H](c2ccccc2)c2cccnc2)c([N+](=O)[O-])cc1OC(F)F 485821425 XNJPIPNFBLUWIR-IBGZPJMESA-N 429.379 4.119 5 20 IIBD C[C@H]1CN(Cc2ccccc2NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 486047838 VPAHHSFFUBSHNS-ROUUACIJSA-N 426.517 4.035 5 20 IIBD COC(=O)c1cc(NC(=O)NCc2cccc(COC(C)(C)C)c2)c(C)c([N+](=O)[O-])c1 486884156 IPIIPFJCZYYDSA-UHFFFAOYSA-N 429.473 4.327 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)cc1[N+](=O)[O-] 487398232 AEEAJGKCPCWSQS-QGZVFWFLSA-N 442.541 4.402 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(C)cc3C)o2)c([N+](=O)[O-])c1 488809954 OUGDDBXWRLTEOD-CYBMUJFWSA-N 428.470 4.390 5 20 IIBD Cc1ccc([C@H](C)N(C)S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c(C)c1 488946424 WFIRBMAYHSGKJT-ZDUSSCGKSA-N 427.320 4.356 5 20 IIBD O=C(Nc1nc2ccc(I)cc2s1)c1ccc([N+](=O)[O-])cc1 491030874 CVHJNNGETGMAJM-UHFFFAOYSA-N 425.207 4.061 5 20 IIBD O=C(c1ccc(I)c(F)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 492895468 UHYXCPCOOGVKIE-UHFFFAOYSA-N 440.212 4.143 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(OCC(C)C)c(Cl)c2)cc1[N+](=O)[O-] 493917335 QMIZWTGLTAUGIO-AWEZNQCLSA-N 433.892 4.407 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)ccc1Br 497764533 IVHMIKHBIDACHW-UHFFFAOYSA-N 447.163 4.415 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC(Cc2ccccc2CO)CC1 497782498 ACJCAHZJALKPKJ-UHFFFAOYSA-N 425.529 4.074 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 499880222 IGIIIMZBUWKSLF-ICSRJNTNSA-N 432.908 4.058 5 20 IIBD C[C@H]1CN(Cc2ccccc2NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 501416476 FPEAIWBKWOZVCZ-BBWFWOEESA-N 429.542 4.323 5 20 IIBD O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1N1CCOCC1 503247885 SGFSCSCNEAKLSB-UHFFFAOYSA-N 429.782 4.356 5 20 IIBD O=C(Nc1ccc(Br)cc1)C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 504483411 MFYGFCIVVLGSKR-UHFFFAOYSA-N 448.317 4.087 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(F)cc2OCC(F)(F)F)c([N+](=O)[O-])cc1OC 505533651 NMLTVOHLQZNQNF-UHFFFAOYSA-N 432.326 4.335 5 20 IIBD Cn1cc(CN2CCN(c3ncc(Cl)cc3Cl)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 506592345 GOPHBRARGQKCRZ-UHFFFAOYSA-N 447.326 4.019 5 20 IIBD CCn1c([C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])nc2ccccc21 509670109 XRSWMHJNNYNZQH-INIZCTEOSA-N 434.905 4.144 5 20 IIBD COc1cc(C(=O)N[C@@H]2CCCc3occc32)c([N+](=O)[O-])cc1OCc1cscn1 509877320 JSKOVQYZQSAZEK-OAHLLOKOSA-N 429.454 4.039 5 20 IIBD COc1cc(F)c([C@@H](C)NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1OC 510719382 PZRMWYJODVQKMN-OAHLLOKOSA-N 445.491 4.478 5 20 IIBD CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N1CCCc2c1cccc2[N+](=O)[O-] 513842423 HSPREYDSYSRRKB-HNNXBMFYSA-N 448.566 4.239 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)Cc3ccc4c(c3)OCCO4)cc2[N+](=O)[O-])C1 515321414 VUYHTTUMAANBOF-CALCHBBNSA-N 439.512 4.121 5 20 IIBD CS(=O)(=O)c1cc(C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)cc([N+](=O)[O-])c1 516750159 SISBNGDPLFWNFW-UHFFFAOYSA-N 430.413 4.182 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)S(=O)(=O)c1ccc(Br)s1 517934232 QHFBUMJUIYITNW-UHFFFAOYSA-N 449.348 4.027 5 20 IIBD CN(Cc1ccccc1OC(F)(F)F)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] 520065438 BLCTZVVKYBUKBO-UHFFFAOYSA-N 434.374 4.094 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N(C[C@H]1CCCO1)c1nc2ccccc2s1 520097866 HRJVMJYEIUQBAA-QGZVFWFLSA-N 436.493 4.371 5 20 IIBD CCOc1cccc2cc([C@H](C)NC(=O)CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])oc12 521723611 QVCCJWAFWJFCIL-LBPRGKRZSA-N 445.859 4.000 5 20 IIBD COc1cc(C(=O)NC(C)(C)c2nc(C)cs2)c([N+](=O)[O-])cc1OCc1cscn1 523847237 QGFWWGNXUFFILR-UHFFFAOYSA-N 448.526 4.069 5 20 IIBD Cc1ccc(-n2nc(C(=O)Nc3ccnn3-c3ccc([N+](=O)[O-])cc3)c3c2CCC3)cc1 524685972 LLPANXXTABQQCU-UHFFFAOYSA-N 428.452 4.016 5 20 IIBD O=C(c1cc(=O)c2cc(Br)ccc2[nH]1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 532873270 DKXZQWTUXOONLC-UHFFFAOYSA-N 442.269 4.004 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC(F)F)c(F)c1 534238496 LWNNNIKCZRWPTC-UHFFFAOYSA-N 444.387 4.243 5 20 IIBD COc1cc([C@H](C)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)ccc1OC1CCCC1 537051192 NAFRDSIBLOMZKX-INIZCTEOSA-N 427.501 4.238 5 20 IIBD CN(Cc1ccc(S(C)(=O)=O)cc1)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 537618300 ZANKPOUFDUHJSR-UHFFFAOYSA-N 439.537 4.398 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCc2cn3cccc(C)c3n2)c([N+](=O)[O-])c1 538139388 OPDCBCLCWIRBCI-UHFFFAOYSA-N 444.447 4.181 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1CCN(c2ccc(Cl)cc2)C1 538439603 RSXGPSBECOSASP-GOSISDBHSA-N 431.923 4.203 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@@H](C)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] 540208577 VFZDFPRKTGFTKS-OTYXRUKQSA-N 449.348 4.010 5 20 IIBD COc1ccc(Cc2nnc(Sc3ncc([N+](=O)[O-])c(C)c3Br)o2)cc1 541591025 UXWAGHWWKIOMFG-UHFFFAOYSA-N 437.275 4.194 5 20 IIBD Cc1c([N+](=O)[O-])cnc(NCCCc2nc(-c3ccc(F)cc3)no2)c1Br 541624454 GYRWKTZRDBWLCL-UHFFFAOYSA-N 436.241 4.295 5 20 IIBD CCC(C)(C)OCc1ccccc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 542718653 SVOWXDKYWRIIDN-UHFFFAOYSA-N 427.505 4.049 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 543182450 VDILIZLUSBQZSE-UHFFFAOYSA-N 437.327 4.365 5 20 IIBD Cc1cc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])ccc1-n1nnnc1C(C)C 544136390 HYMVJCAESFVDAP-UHFFFAOYSA-N 444.879 4.063 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCc2nc(C)c(-c3ccc(Cl)cc3)o2)c1 544654830 OACVMRFHLOIIFN-UHFFFAOYSA-N 435.889 4.307 5 20 IIBD O=[N+]([O-])c1ccc(-n2ccc(-c3nc(-c4ccc(Oc5ncccn5)cc4)no3)n2)cc1 545627558 FRCHOASWMYLRFD-UHFFFAOYSA-N 427.380 4.080 5 20 IIBD COc1cc(-c2noc(-c3c[nH]c4cc([N+](=O)[O-])ccc34)n2)ccc1OC[C@H]1CCCO1 546277109 ZGIPNKSCNDVJDG-OAHLLOKOSA-N 436.424 4.360 5 20 IIBD Cc1ccc(-c2noc(CCOc3ccc(Cl)cc3[N+](=O)[O-])n2)c(N2CCCC2)n1 546371976 RETNGRQGTYSHLE-UHFFFAOYSA-N 429.864 4.223 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](c1ccc(Cl)cc1)c1ccn(C)n1 546526077 KVGLQSARLGIRCK-HXPMCKFVSA-N 449.294 4.308 5 20 IIBD CC(C)(C(=O)NCCc1ccc(F)c(Br)c1)c1ccc([N+](=O)[O-])cc1F 546538241 IEJALXHFILUNRF-UHFFFAOYSA-N 427.245 4.272 5 20 IIBD COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1OC[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1 550206142 HCUHNHFNVMBEOW-XHDPSFHLSA-N 444.267 4.206 5 20 IIBD COc1cc(CSCc2ccc(S(C)(=O)=O)cc2)c([N+](=O)[O-])cc1OCC(F)F 551006129 YZDJMAHMRBXXFF-UHFFFAOYSA-N 447.481 4.084 5 20 IIBD Cc1ccc(CNC(=O)C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)CC2)cc1 551685179 OEJFBOQYODQIME-UHFFFAOYSA-N 449.429 4.091 5 20 IIBD O=[N+]([O-])c1ccc2nc(NCc3cc(Cl)cc(Cl)c3OC(F)F)nc(O)c2c1 553108831 XQUYHKFEMXSQPV-UHFFFAOYSA-N 431.182 4.764 5 20 IIBD CC(=O)c1cc(Br)ccc1OCC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 556879233 QHHDIJKBQAFBTJ-GFCCVEGCSA-N 435.274 4.125 5 20 IIBD COCCC[C@@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 560101781 RPTZRIFQEFXZAQ-INIZCTEOSA-N 435.318 4.433 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1 563782415 VAOOILFWSFUUGY-QMMLZNLJSA-N 433.512 4.160 5 20 IIBD COc1cc(CN2CC[C@H](N3CCCC3)[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 564312247 AUWIVACGELAKCI-AVRDEDQJSA-N 425.529 4.241 5 20 IIBD CC(C)Sc1ccc([C@H](C)NC(=O)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1 564647236 VFQFIXZISMNQRL-AWEZNQCLSA-N 449.960 4.285 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(Cc3noc([C@H]4CCCN4c4ncnc5sccc45)n3)c2c1 570317998 VOXWSIQYLUDFQN-QGZVFWFLSA-N 447.480 4.396 5 20 IIBD CC(=O)NCc1ccc(-c2nc(NC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)sc2C)s1 574138807 YQUVAMNZUCQWRZ-LLVKDONJSA-N 444.538 4.467 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1Sc1nc2scc(-c3cccs3)c2c(=O)n1C 578930739 LULPSULFCLVUFX-UHFFFAOYSA-N 433.540 4.308 5 20 IIBD Cc1nc(-c2ccc(CNC(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)s2)cs1 579420321 ISIFSIVROGKVQO-UHFFFAOYSA-N 430.511 4.192 5 20 IIBD CC(C)(NC(=O)c1ccccc1)c1noc(Cn2c3ccccc3c(=O)c3ccccc32)n1 582386430 ABXJDFGZCRLIQB-UHFFFAOYSA-N 438.487 4.251 5 20 IIBD COC(=O)CNC(=O)c1ccc(N[C@H](C)c2cc(F)c(Cl)cc2Cl)c([N+](=O)[O-])c1 603455997 IEZOZJVPDWXGAI-SECBINFHSA-N 444.246 4.117 5 20 IIBD COc1cc(F)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Nc2ccccc2)cc1OC 603550980 WXSBCJJTXPLAJH-UHFFFAOYSA-N 447.444 4.296 5 20 IIBD COc1ccc([C@@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c2ccccc2)cc1 603926766 GSWGBFMHMLLLLJ-QHCPKHFHSA-N 428.448 4.309 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 604105733 OFYCFBIQXLLDHC-UONOGXRCSA-N 448.932 4.001 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N(C)Cc2ccc3ccccc3c2)ccc1[N+](=O)[O-] 608803773 ZARCSTMXOCYROA-QHCPKHFHSA-N 431.492 4.320 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N(C)Cc2csc3ccccc23)ccc1[N+](=O)[O-] 608811530 DOSNMPGHGUYLMI-FQEVSTJZSA-N 437.521 4.381 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 608866531 VEFKJXRPAJLKPP-HXUWFJFHSA-N 444.451 4.198 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](c1ccc(Cl)cc1)c1cccs1 608877795 WVTSHEMFXIDQCM-ORAYPTAESA-N 443.912 4.334 5 20 IIBD COc1ccc(OC)c(CC(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)c1 609816654 BWWCBAXOKXOKNM-UHFFFAOYSA-N 448.435 4.239 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1CCO[C@H](C(F)(F)F)C1 610079296 OLFORQDLAVIAIN-IRXDYDNUSA-N 443.809 4.191 5 20 IIBD COc1cc(C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)cc([N+](=O)[O-])c1OC 610196850 DSSLXUPFQOUCJX-UHFFFAOYSA-N 442.472 4.272 5 20 IIBD C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 611220401 DABBEYTZKIVBQJ-HNNXBMFYSA-N 447.520 4.272 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1c(O)c(Cl)cc(Cl)c1Cl 611304253 YBASIPDCLJETGV-SSDOTTSWSA-N 432.647 4.018 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCN(Cc4ccco4)CC3)cc2[N+](=O)[O-])n1 612671218 MCVIPIZWYZOZCD-UHFFFAOYSA-N 444.538 4.062 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](Cc1ccccc1)c1sccc1C 619484823 GPZKPPXOYGIEMF-MRXNPFEDSA-N 432.523 4.236 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)N(CCn1ccnc1)Cc1ccccc1Br 619871820 KLESMOJXAJPROJ-UHFFFAOYSA-N 443.301 4.205 5 20 IIBD COc1ccc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1Cl 725983959 AOMUVUVWDQSDQR-UHFFFAOYSA-N 428.622 4.059 5 20 IIBD CC(=O)[C@@H]1CC(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)=NN1c1ccccc1 727055438 OQMXPVGPVYZGQK-IBGZPJMESA-N 449.492 4.189 5 20 IIBD COc1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)c(C)c1 727594539 ADUMRUNUROBTCJ-UHFFFAOYSA-N 438.406 4.285 5 20 IIBD COc1ccc(-n2ccc(C(=O)N(CC3CC3)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 728166920 QOYDHDIOGMYWNM-UHFFFAOYSA-N 426.860 4.499 5 20 IIBD COc1cc(C(=O)Oc2ccc(C(C)=O)cc2F)c([N+](=O)[O-])cc1OCc1cscn1 728488559 CBQUPONXZXZIGG-UHFFFAOYSA-N 446.412 4.200 5 20 IIBD Nc1ccc(C(=O)Nc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3)cc2)cc1[N+](=O)[O-] 731649191 ISCAINBTGJNCAA-OAQYLSRUSA-N 430.464 4.407 5 20 IIBD C[C@@H]1CCC[C@@H](OCC(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 733025522 XMYQCDYWGRTVFN-CKEIUWERSA-N 447.513 4.184 5 20 IIBD Cc1cccnc1[C@@H](NC(=O)c1ccc(I)c([N+](=O)[O-])c1)C(C)C 734348145 OWJBKLYFCKXAIS-HNNXBMFYSA-N 439.253 4.030 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@@H](c1ccccc1)C1CCOCC1 734484594 ANKVFWYRKQPAFU-SFHVURJKSA-N 426.441 4.171 5 20 IIBD C[C@@H](OC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc2ncccc12 735149067 POGJMOVGHSDXTG-CYBMUJFWSA-N 443.843 4.136 5 20 IIBD O=C(Nc1ccccc1)c1ccc(COC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cc1 735352762 MFVDNCHEJBDAQG-UHFFFAOYSA-N 443.415 4.458 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[C@H]1C[C@]12CCc1ccccc12 744353843 HNCOBNPRDVJERZ-YKSBVNFPSA-N 432.480 4.286 5 20 IIBD CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])ccc1Br 744382980 CRARXUHLYPPMIB-KRWDZBQOSA-N 446.345 4.342 5 20 IIBD Cc1cc(Cl)ccc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 744562381 IDEFBDAEFJGNFH-AWEZNQCLSA-N 431.876 4.341 5 20 IIBD CCc1ccc(C(=O)N(CC)c2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1[N+](=O)[O-] 746518166 LRUGBRLBHRQHIV-UHFFFAOYSA-N 430.404 4.117 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@H](c2ccccc2)C(C)(C)CO)CC1 747553318 TWWHNFRHSZTZOU-JOCHJYFZSA-N 439.556 4.363 5 20 IIBD C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H](O)c1c(F)cccc1Cl 748394172 MRIXNDZLLGTCEZ-ANRSDYALSA-N 431.645 4.002 5 20 IIBD COc1cc(Cl)c(Cl)cc1C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 750442327 VDVXBAASUMAJFB-JTQLQIEISA-N 427.240 4.403 5 20 IIBD Cc1nn(C(C)(C)C)c(C)c1C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 750583989 YFKNDEXYRJCBRR-UHFFFAOYSA-N 435.322 4.124 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1c(F)ccc([N+](=O)[O-])c1F)c1ccc(Cl)c(Cl)c1 752558619 IKAKBLNAASUVRQ-MRVPVSSYSA-N 433.194 4.214 5 20 IIBD C[C@@H](OC(=O)c1c(F)ccc([N+](=O)[O-])c1F)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 752566693 DLMMTWHZDOBNNL-CHWSQXEVSA-N 432.423 4.175 5 20 IIBD Cc1cc(F)cc(C(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)c1[N+](=O)[O-] 753092578 DKLLEAXLWXVCKE-UHFFFAOYSA-N 425.391 4.364 5 20 IIBD C[C@H](C(=O)OCC(=O)N[C@H](c1ccccc1)c1cccs1)c1ccc([N+](=O)[O-])cc1F 755054821 NGFHQHQXSOURLB-LHSJRXKWSA-N 442.468 4.348 5 20 IIBD CC(=O)c1cccc(NC(=O)[C@@H](OC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C(C)C)c1 755059774 GQSZAOZNLWCJQN-RBZFPXEDSA-N 430.432 4.247 5 20 IIBD CC[C@H]1CN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC[C@@H]1NC(=O)OC(C)(C)C 756909923 NHEXXZWHROSOSV-JXFKEZNVSA-N 429.521 4.041 5 20 IIBD Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 759805442 QESFGZJEMBCSRG-AWEZNQCLSA-N 444.916 4.074 5 20 IIBD O=C(N[C@H](C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1)c1ccco1 760468858 BRJPODWQKBVDQJ-FQEVSTJZSA-N 447.403 4.057 5 20 IIBD Cc1nn(C)c(C)c1[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(F)(F)F 760760608 MEQOVZCGOPMIOV-CYBMUJFWSA-N 425.285 4.424 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3cccc(Br)n3)n2)c(Br)c1 762260549 IPOBIIJNHNKFHK-UHFFFAOYSA-N 440.051 4.156 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3scnc3Br)n2)c(Br)c1 762261243 KWGSKYKVBJUATG-UHFFFAOYSA-N 446.080 4.217 5 20 IIBD Cc1onc(-c2ccccc2Cl)c1C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 763029165 MRMHKKLWLJEBFP-LBPRGKRZSA-N 429.816 4.396 5 20 IIBD O=C(Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1cc(F)c([N+](=O)[O-])cc1F 763394384 VDZZOAUCFNZWLC-UHFFFAOYSA-N 429.301 4.493 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCO[C@@H](c2ccccc2Br)C1 768708020 XMIMUNFPVFBPIU-MRXNPFEDSA-N 425.666 4.224 5 20 IIBD O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 768984194 QVFNSFSUPORFPE-SFHVURJKSA-N 440.397 4.259 5 20 IIBD CC(C)(C)OC(=O)N1CCc2ncc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)cc2C1 773403126 BXQRTNWWYKDFGK-UHFFFAOYSA-N 432.864 4.189 5 20 IIBD C[C@@H]1C[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCN1C(=O)OC(C)(C)C 773810235 VGRFQSLRFHHLMZ-NVXWUHKLSA-N 435.524 4.199 5 20 IIBD Cc1nc(NCc2ccc([C@H](C)O)cc2)nc(NCc2ccc([C@@H](C)O)cc2)c1[N+](=O)[O-] 774526685 RJVCBGAHIHSMTF-CVEARBPZSA-N 437.500 4.024 5 20 IIBD CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 776004577 RPBWWFVVAOSVNM-XXFAHNHDSA-N 429.217 4.142 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc(OC)c1C(C)C 781297825 JKOYUJLBFGIYEY-GFCCVEGCSA-N 434.420 4.059 5 20 IIBD CC(C)[C@@H]1C[C@@H](CC(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)CCO1 781952392 UMIHLPXTBBFXOC-VCOUNFBDSA-N 446.544 4.364 5 20 IIBD COc1cc(C(C)=O)c(OC)cc1OC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 784076973 MJFVYTNSMUKVBW-UHFFFAOYSA-N 425.846 4.166 5 20 IIBD C[C@@H](OC(=O)COc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 787967403 PYVTZNWYAURLLB-SNVBAGLBSA-N 446.765 4.216 5 20 IIBD C[C@@H]1C[C@@H](CCNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CN1Cc1ccccc1 790556204 CMDWYPYNZRWUTH-NVXWUHKLSA-N 433.911 4.347 5 20 IIBD Cc1cc(F)cc(-n2cc(C(=O)N(CC3CC3)c3ccc(Cl)c([N+](=O)[O-])c3)nn2)c1 790894648 FQOJZHFCEBGXAB-UHFFFAOYSA-N 429.839 4.333 5 20 IIBD Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cccc1NC(=O)N(C)C 791909834 AQYVYOZCJQLBFO-UHFFFAOYSA-N 439.516 4.485 5 20 IIBD Cc1cc(Br)c(S(=O)(=O)Oc2cc(F)c([N+](=O)[O-])cc2Cl)s1 796207440 QGRPFFBGXNIRBO-UHFFFAOYSA-N 430.660 4.287 5 20 IIBD O=C(NCc1ccc(-n2ccnc2)nc1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 799303816 QAANYVNOWCXFAL-UHFFFAOYSA-N 431.477 4.257 5 20 IIBD CC[C@](O)(C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc(Cl)c1 800320629 GCOHHPFFWAGKHG-NSPYISDASA-N 441.267 4.070 5 20 IIBD Cc1noc(C)c1COc1ccc(CC(=O)OCc2c(F)cc([N+](=O)[O-])cc2F)cc1 803219566 TWBIKIJXUWIAHI-UHFFFAOYSA-N 432.379 4.343 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@H](c1cccc(OC(F)(F)F)c1)C1CC1 804363029 CANICHCBBBOJRG-IBGZPJMESA-N 434.374 4.111 5 20 IIBD CN(C)C(=O)Sc1cc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)ccc1Cl 805430643 GACRIPBDEYVGCX-UHFFFAOYSA-N 445.888 4.460 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1 806361334 GZNQBJAVOPJYGP-UHFFFAOYSA-N 445.324 4.113 5 20 IIBD O=C1OCCN1c1cccc(-c2noc(-c3cc([N+](=O)[O-])ccc3N3CCCCC3)n2)c1 809418514 XBTMFXJPQCSOLC-UHFFFAOYSA-N 435.440 4.259 5 20 IIBD CCN(Cc1ccc(OC)c(OC)c1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 809806287 JLUBSTVEGBTPDU-UHFFFAOYSA-N 449.312 4.130 5 20 IIBD Cn1nccc1-c1ccccc1OS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 809841827 YRJCLLWUCAQCCM-UHFFFAOYSA-N 428.253 4.070 5 20 IIBD O=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)Nc1cccc([N+](=O)[O-])c1Cl 809916084 GEJOBUHECQRPIU-UHFFFAOYSA-N 449.176 4.285 5 20 IIBD Cc1ccc(CN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C2CC2)cc1C 810399662 YOFCHYQEDLEPAO-UHFFFAOYSA-N 446.301 4.104 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C(=O)NCC(F)(F)F)cc1F 813289299 XLKPFFRSCLGIRI-UHFFFAOYSA-N 433.745 4.240 5 20 IIBD CC(C)(C)OC(=O)N1CCC(c2csc(NC(=O)c3c(N)cccc3[N+](=O)[O-])n2)CC1 813777876 XQIXXXWNBNDKAE-UHFFFAOYSA-N 447.517 4.000 5 20 IIBD CCS(=O)(=O)c1ccc(CCC(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 815223772 HCJKSHDSZVUTMR-UHFFFAOYSA-N 445.415 4.083 5 20 IIBD CC(C)S(=O)(=O)c1cccc(C(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)c1 815233529 NDPCSYHPPPTUGI-UHFFFAOYSA-N 431.388 4.153 5 20 IIBD CCOc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 815511421 JJTQXRMHKCSSTD-LLVKDONJSA-N 426.347 4.196 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)C1(Cc2cccc(F)c2)CCOCC1 816031333 UOBLUZYZXDBHDL-LJQANCHMSA-N 446.450 4.034 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)OCc2noc(-c3ccsc3)n2)CC1 897702087 HJNYWPVYLAKJOD-UHFFFAOYSA-N 428.470 4.300 5 20 IIBD C[C@H](OC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc(-c2cccs2)no1 914596634 NHDAKBAHIXWDJV-VIFPVBQESA-N 442.375 4.441 5 20 IIBD Cc1ccc(C(=O)N(C)C)cc1OC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 916066729 GPMKXPKLUWGEKU-UHFFFAOYSA-N 425.485 4.061 5 20 IIBD O=C(COC(=O)CSc1ccccc1[N+](=O)[O-])N[C@@H](c1ccccc1)C1CCCC1 918832978 DDIWDQYXCDKWBU-QFIPXVFZSA-N 428.510 4.278 5 20 IIBD CCO[C@H](C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccccc1 920691023 VHFDXZUGPAEEPA-SJCJKPOMSA-N 440.374 4.262 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)C(C)C 920906362 ABHWLMUGHUOJAB-KRWDZBQOSA-N 443.287 4.003 5 20 IIBD CCOc1ccc(CN(C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1OC 1318072967 UICYMJVPTNMUKA-UHFFFAOYSA-N 427.482 4.398 5 20 IIBD NC(=O)N[C@H](CC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)c1cccc(Oc2ccccc2)c1 1318795706 RPHIWLKPMPCWSA-JOCHJYFZSA-N 446.463 4.029 5 20 IIBD COc1ccc(C(NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c2ccc(OC)cc2)cc1 1318839360 MTFBDTGBISNZPX-UHFFFAOYSA-N 433.464 4.427 5 20 IIBD C[C@H](C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc(F)cc1F 1319086739 QFCJBKOLAAUODI-LBPRGKRZSA-N 443.372 4.344 5 20 IIBD CCN(CC)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cccs2)CC1 1321810265 RDHJPICJDIJNKH-UHFFFAOYSA-N 440.573 4.274 5 20 IIBD Cn1cc([C@H](NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc2)cn1 1337662457 SSVKVVIKCHRSFJ-HXUWFJFHSA-N 447.417 4.055 5 20 IIBD Cc1ncccc1C(=O)NC1(c2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)cc2)CCC1 1785792213 VBMDTODTQQMWAA-UHFFFAOYSA-N 444.491 4.289 5 20 IIBD Cc1[nH]ccc1C(=O)NC1(c2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)cc2)CCC1 1785792317 WPIVSLZAPZLGKX-UHFFFAOYSA-N 432.480 4.222 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)[C@H]3C[C@H]3F)CCC2)cc1 1786602278 HFRYQEPXWAQHPV-VQTJNVASSA-N 425.460 4.020 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)Nc1ccc(C2(NC(=O)c3c[nH]cc3C)CCC2)cc1 1790805829 KXUIHVITWRIJCX-UHFFFAOYSA-N 448.479 4.307 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1ccc(C2(NC(=O)c3ccncc3)CCC2)cc1 1791183672 CRADIDJUXQJLMX-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2sccc2s1)c1ccc([N+](=O)[O-])o1 1798028583 RATFAHGZXOSTFY-ZSBIGDGJSA-N 431.495 4.030 5 20 IIBD CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)CC2)CCC1 1823707115 GHWWCUCYIRNCCV-ZLQZBKBYSA-N 429.517 4.011 5 20 IIBD Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C3CC3)CC2)cc1[N+](=O)[O-] 1830362181 NQLZLCQVCVNUBR-CZQLGGELSA-N 439.556 4.032 5 20 IIBD COc1ccc([C@H](N[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c2ccccc2)cc1 10352049 NNKPOWMIMQVJGP-QMHKHESXSA-N 435.480 4.318 5 20 IIBD C[C@H](OC(=O)CCc1ncc(-c2ccccc2Cl)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 12254370 WVXCCDLWXFSUPL-ZDUSSCGKSA-N 443.843 4.406 5 20 IIBD CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 18004444 UHRAELBSDRDUTB-UHFFFAOYSA-N 440.283 4.401 5 20 IIBD COc1ccc(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 19198846 XFKLEVMEQCTVFH-UHFFFAOYSA-N 442.475 4.315 5 20 IIBD COc1ccc(CCn2c(C)cc(C(=O)COC(=O)c3ccc([N+](=O)[O-])s3)c2C)cc1 20921392 VCEZCDDBPABZNB-UHFFFAOYSA-N 442.493 4.366 5 20 IIBD COc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 21188456 ODFMIFNTUIKRNA-FQEVSTJZSA-N 432.885 4.325 5 20 IIBD CC(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)s1 25817600 SMLAORBBCCIYGT-LLVKDONJSA-N 445.478 4.166 5 20 IIBD C[C@@H](OC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(=O)N[C@@H]1CCOc2ccccc21 26342627 IPSCQCZFCYMNCH-RDTXWAMCSA-N 426.469 4.078 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 29613718 KAVVRIZRMLHBOH-UHFFFAOYSA-N 441.488 4.450 5 20 IIBD C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 58520252 MUMLFSAGLGFIQG-CALCHBBNSA-N 425.485 4.040 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 71861361 GRHOQFCJJKLROT-SNVBAGLBSA-N 438.665 4.002 5 20 IIBD Cc1oc(-c2cccs2)nc1CC(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 107679378 DITUVTQPUWCSGX-LLVKDONJSA-N 449.872 4.386 5 20 IIBD O=C(NCc1ccc(-n2cccn2)cc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 117428055 DMSJWIMFVQEDAV-UHFFFAOYSA-N 427.464 4.323 5 20 IIBD Cc1nnc(Sc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])n1[C@H]1CCC[C@H](C)C1 301823945 CTKIGNGJBWLGEK-BBRMVZONSA-N 440.529 4.362 5 20 IIBD CC(C)(C)c1ccc(N2CCC(Nc3ccc([N+](=O)[O-])cc3S(C)(=O)=O)CC2)cc1 302659009 OPJMYMFXYAUTOC-UHFFFAOYSA-N 431.558 4.377 5 20 IIBD C[C@@H](c1cccnc1)N(C)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 302952557 DJEMCXGAALEIRW-AWEZNQCLSA-N 436.434 4.445 5 20 IIBD COc1ccc(CSCC(=O)NCc2ccc(Br)c(F)c2)cc1[N+](=O)[O-] 302983274 KVMGSUFJXYHROX-UHFFFAOYSA-N 443.294 4.055 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1COc2cc(F)c(Br)cc21 409787322 VYSXWQABGXTNPI-CQSZACIVSA-N 444.644 4.083 5 20 IIBD CCCS(=O)(=O)Nc1cccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1C 426095662 GMZHDRCDOUKEHJ-UHFFFAOYSA-N 446.529 4.251 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CNc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 429792847 KTNLSVCZWMEROG-UHFFFAOYSA-N 448.447 4.468 5 20 IIBD O=C(NCCNc1ccccc1[N+](=O)[O-])c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O 430402416 SFPIJZNHWXYMEA-UHFFFAOYSA-N 444.447 4.071 5 20 IIBD CC(C)(NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 431411903 BBFMLUPQRKDAEW-UHFFFAOYSA-N 439.493 4.061 5 20 IIBD COc1cc(C(=O)Nc2nnc([C@@H]3CCCc4ccccc43)s2)cc([N+](=O)[O-])c1OC 432637232 ZONLQYCGUNXJRG-OAHLLOKOSA-N 440.481 4.184 5 20 IIBD Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] 434224384 DZRTZLKXJYBWDE-OKILXGFUSA-N 427.505 4.120 5 20 IIBD CCOc1cc(CS(=O)(=O)Cc2csc(-c3cccc(OC)c3)n2)ccc1[N+](=O)[O-] 434639299 DYKINKKUHFXWOA-UHFFFAOYSA-N 448.522 4.241 5 20 IIBD COc1cccc(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)c1[N+](=O)[O-] 435670838 WMLKOIPSSJLAHK-UHFFFAOYSA-N 428.832 4.112 5 20 IIBD CC(C)(O)C1CN(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)C1 436264591 WKIQVHSSKPDMCO-UHFFFAOYSA-N 437.855 4.092 5 20 IIBD CCOC(=O)c1csc(C2CCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])CC2)n1 436365539 NVXZKEZSXJANFC-UHFFFAOYSA-N 430.408 4.026 5 20 IIBD COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1O)CC2 436864515 ZMANPZBIRHCNSP-HSZRJFAPSA-N 434.448 4.106 5 20 IIBD COCc1nc(CNC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)c(-c2ccccc2)s1 441772916 ABIVMLYOEACXNF-UHFFFAOYSA-N 428.470 4.195 5 20 IIBD COc1ccc(NC(=O)C(=O)N2CCCCC[C@@H]2/C=C\c2cccs2)cc1[N+](=O)[O-] 442468091 CHVISMRPQILDSB-ZBTGYSDGSA-N 429.498 4.088 5 20 IIBD CCN(C[C@H]1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1)CC(F)(F)F 444093355 ANXXJGBVMKZJGS-CQSZACIVSA-N 449.448 4.167 5 20 IIBD Cn1cnc(-c2ccc(NC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)cc2)n1 444295850 PPAIISNMMWMNKE-UHFFFAOYSA-N 431.402 4.007 5 20 IIBD C[C@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl 446373062 ZRUKUDLMHGNKBV-VIFPVBQESA-N 430.675 4.162 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1Oc1cccc(Oc2ccnc(C(N)=O)c2)c1 447802682 MSMSJGGPTLMQSS-UHFFFAOYSA-N 443.799 4.113 5 20 IIBD Cc1cc(C[C@H](C)NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n(-c2ccccc2)n1 448175875 WPVNZOAODMNPPR-ZDUSSCGKSA-N 432.402 4.469 5 20 IIBD C[C@@H]1OCC[C@]12CN(Cc1cn(-c3ccccc3)nc1-c1ccc([N+](=O)[O-])cc1)C[C@@H](C)O2 448376157 VWTDBKWWPMCNPX-WYEJZRMESA-N 448.523 4.216 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N(CC(F)(F)F)c2ccccc2)c(Br)c1 460641835 YYSULUOSYPZLJQ-UHFFFAOYSA-N 439.209 4.115 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2nc3ccc(F)cc3n2C)cc1[N+](=O)[O-])c1ccccn1 464434979 XVXHLEQETNYOBH-ZDUSSCGKSA-N 434.431 4.441 5 20 IIBD CCSCC[C@H](C)NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 464692853 RZGAXEDLLIWQNQ-ZDUSSCGKSA-N 433.496 4.478 5 20 IIBD O=C(N[C@@H]1c2ccccc2CC12CCOCC2)c1ccc(Br)cc1[N+](=O)[O-] 464707620 GUTSSVKHGDMPJL-GOSISDBHSA-N 431.286 4.181 5 20 IIBD Cc1occc1C(=O)Nc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)ccc1F 466954518 JYLFQZQFONLNLS-UHFFFAOYSA-N 439.446 4.058 5 20 IIBD COc1cccc(Oc2ncccc2CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1 467226061 BGZVAZVBNSVNGR-UHFFFAOYSA-N 442.859 4.444 5 20 IIBD C[C@H]1OCC[C@@]12CN(C(=O)c1cccc(Sc3ccc(Cl)cc3)c1[N+](=O)[O-])CCO2 470669534 KSCHPXVKMJSTRV-SPLOXXLWSA-N 448.928 4.419 5 20 IIBD COc1cc(C(=O)Nc2ccc(N3CCCCC3)c3ncccc23)c([N+](=O)[O-])cc1OC 471436525 NYQCADODTVTUGH-UHFFFAOYSA-N 436.468 4.403 5 20 IIBD CCc1ccc(-c2noc([C@@H](C)NC(=O)c3ccc(Br)cc3[N+](=O)[O-])n2)cc1 472365559 BZHOLXCWYPQDGO-LLVKDONJSA-N 445.273 4.461 5 20 IIBD O=C(NCCc1ccccc1OC(F)F)c1cccc2c(=O)c3cccc(F)c3[nH]c12 473020872 IBAXOAYYBQNSNJ-UHFFFAOYSA-N 426.394 4.394 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)c2c(F)cccc2Cl)ccc1[N+](=O)[O-] 477281828 WKQGXAFXMCYMBS-UGSOOPFHSA-N 433.867 4.178 5 20 IIBD CC[C@@H](NC1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1)c1cccc([N+](=O)[O-])c1 481732706 GZRLDHAVPPYKAF-JOCHJYFZSA-N 431.558 4.098 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 482411395 VFEAAUJDTSOORE-HNNXBMFYSA-N 433.333 4.342 5 20 IIBD C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)Oc1ccccc1Cl 482527592 FBQCFPWYJRLNAF-LLVKDONJSA-N 427.682 4.137 5 20 IIBD COc1cc(OC)c(OC)cc1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 483369991 GFJVZKJVMMVSLM-UHFFFAOYSA-N 443.378 4.080 5 20 IIBD CCOC(=O)c1ccnc(N2CCC[C@@H]2c2ccc(Br)c(F)c2)c1[N+](=O)[O-] 485408754 OIOMXZCJVMWMAC-OAHLLOKOSA-N 438.253 4.410 5 20 IIBD C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 486104788 KTMFWNKBJVWFNR-LBPRGKRZSA-N 436.295 4.211 5 20 IIBD Cc1c(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)oc2ccc(Br)cc12 487051334 WHBYBZOLXOHELQ-UHFFFAOYSA-N 433.262 4.086 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(COC)cccc2s1 487450212 YQANAOBFXQWZLC-UHFFFAOYSA-N 433.511 4.342 5 20 IIBD C[C@@H]1CO[C@H](c2ccccc2Cl)CN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] 487636606 PUMKQZPYHIPVTF-VLIAUNLRSA-N 440.887 4.179 5 20 IIBD COc1cccc(Cc2nnc(S[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)o2)c1 488843415 MHJBUIUVILSMCG-CYBMUJFWSA-N 428.470 4.005 5 20 IIBD COc1ccc2ccccc2c1-c1cc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)on1 489002722 ATTORECHOISWNN-UHFFFAOYSA-N 433.468 4.445 5 20 IIBD COC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)cc1OC 489063219 CAXNDGKPCWTDAZ-UHFFFAOYSA-N 432.498 4.068 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccnc1OCC(F)F 498749801 PCVPZYNZNCPKNC-UHFFFAOYSA-N 437.346 4.383 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 498879992 LRTNTTMLFSBWER-SFHVURJKSA-N 446.511 4.222 5 20 IIBD CN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCN(Cc2ccccc2)CC1 499475845 SNLNRARDIQEAKW-UHFFFAOYSA-N 436.537 4.455 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(N3CCc4ccccc4C3)nc2)c1 501400466 PPHAVVCEUNYTTR-UHFFFAOYSA-N 434.521 4.204 5 20 IIBD O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 502050750 RPVMTIQWWGLGSU-HXUWFJFHSA-N 425.485 4.008 5 20 IIBD CCOc1ccc([C@@H](C)N[C@H](c2cc(OC)cc(OC)c2)c2nccn2C)cc1[N+](=O)[O-] 504930750 SLEQVVJOUPYRHP-IVZQSRNASA-N 440.500 4.184 5 20 IIBD CCCCn1c(=O)c2ccccc2n2c(SCc3c(F)cc([N+](=O)[O-])cc3F)nnc12 505481723 TWZGCJOXQJDLFY-UHFFFAOYSA-N 445.451 4.323 5 20 IIBD COc1ccc2c(c1)C[C@H](C(=O)Nc1nc(-c3ccc(C)c([N+](=O)[O-])c3)cs1)CO2 505894993 GRDOPZWSHFHZJW-HNNXBMFYSA-N 425.466 4.225 5 20 IIBD C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 506355876 LNRIPOQTFQVJSY-AWEZNQCLSA-N 431.539 4.315 5 20 IIBD O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(Cc3cnn(CC(F)F)c3)CC2)s1 507503185 FZNRIWOIBVPPBW-UHFFFAOYSA-N 447.511 4.103 5 20 IIBD NC(=O)c1ccc(CSCc2cccc(Br)c2OC(F)F)c([N+](=O)[O-])c1 507582897 HEJSPMNVIPLKIU-UHFFFAOYSA-N 447.257 4.491 5 20 IIBD COc1cccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)c1 509155180 RSEIEKVXEHUVQJ-LLVKDONJSA-N 440.237 4.007 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCc2cn(CCOC)nc21 509693434 YOIOWHPQDPRTKG-GOSISDBHSA-N 432.546 4.137 5 20 IIBD C[C@@H](c1cccnc1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 514151756 OEWKMWAZUOMLEO-SFHVURJKSA-N 432.480 4.301 5 20 IIBD C[C@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)Nc1ccccc1[N+](=O)[O-] 514298708 OUVFEDANRQUUKO-QMMMGPOBSA-N 445.810 4.429 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)C(=O)NC(C)(C)C 519188695 GCAJNSMNLZVRFP-LBPRGKRZSA-N 435.933 4.432 5 20 IIBD CCN1CCN(c2ccc(NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)c(C)c2)CC1 520480620 MSHJSPRSRVZUSI-UHFFFAOYSA-N 439.560 4.488 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 522851209 PRUMGDSZZVWCRA-OAHLLOKOSA-N 442.347 4.228 5 20 IIBD CNS(=O)(=O)c1ccc(N[C@H](c2cccc(C(F)(F)F)c2)C(C)C)c([N+](=O)[O-])c1 523295243 BXAHFJUISWKSFX-KRWDZBQOSA-N 431.436 4.331 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCC[C@H](CNC(=O)C(C)C)C2)cc1[N+](=O)[O-] 523846428 IWALUFFJMYAIBR-QGZVFWFLSA-N 435.590 4.357 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C(C)C)C3CCC3)cc2)cc1[N+](=O)[O-] 524879736 GOQMIHKFKPCRRS-UHFFFAOYSA-N 431.514 4.107 5 20 IIBD COc1cc(C(=O)Nc2nc(C)c(Cc3ccc(F)cc3)s2)cc([N+](=O)[O-])c1OC 525024050 IJHXEZNLCOMARG-UHFFFAOYSA-N 431.445 4.359 5 20 IIBD CCOC(=O)c1cc(F)c(F)cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 525521997 KMFAPGYYTWJMNC-VIFPVBQESA-N 428.775 4.109 5 20 IIBD CCOC(=O)C1(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)CC1 530584753 VSFBNSCROFICGW-UHFFFAOYSA-N 436.823 4.139 5 20 IIBD COC(=O)CCC1CCN(C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)CC1 531236654 UNVCHQMFGVSJKA-UHFFFAOYSA-N 449.554 4.316 5 20 IIBD COc1ccc(CNCC(=O)N(C)C2CCCCC2)cc1OCc1ccc([N+](=O)[O-])cc1 531792076 QHJBASJWXFGDGN-UHFFFAOYSA-N 441.528 4.063 5 20 IIBD C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)COc1ccc(Br)cc1[N+](=O)[O-] 532149965 JJKXBMYSZIYCCT-SNVBAGLBSA-N 429.217 4.234 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2csc(-c3ccc(Cl)cc3)n2)CC1 532471574 POWPCDZWRLWYIY-UHFFFAOYSA-N 448.957 4.391 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C(F)(F)F 533245449 NQYDTNFWKATYCN-FQEVSTJZSA-N 432.402 4.360 5 20 IIBD CN(C)CCN(Cc1cccc(O)c1)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 536442686 UWBORSKIAUMCLU-UHFFFAOYSA-N 448.523 4.117 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)CSc1ccc([N+](=O)[O-])cc1 538041958 COXBSRYAHVBEIW-KPZWWZAWSA-N 439.331 4.342 5 20 IIBD CC1(C)CN(C2(CNc3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)CCCCC2)CCO1 540288879 KGDGMDNQMUHVDC-UHFFFAOYSA-N 444.576 4.056 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@@H](CC2CCCCC2)c2ccccc2)cc1[N+](=O)[O-] 541140347 IBAVNLVFYPTQSZ-IBGZPJMESA-N 425.485 4.370 5 20 IIBD COc1cc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])ccc1N1CCCC1=O 541264692 PZJQXCURUSZJFA-UHFFFAOYSA-N 435.889 4.114 5 20 IIBD COc1ccc(Oc2cc(CNC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)ccn2)cc1 541608927 YNMGUSXWFMYLIB-CQSZACIVSA-N 425.416 4.350 5 20 IIBD Cc1c(NC(=O)[C@H](C)N[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)cccc1[N+](=O)[O-] 541614284 MFXDZNWDMRFGDM-CABCVRRESA-N 425.464 4.214 5 20 IIBD COc1cccc(-c2noc([C@H](C)N[C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)n2)c1 542611402 IZHHIQZHPABNSN-STQMWFEESA-N 436.428 4.115 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1nnn(-c2cccc(Br)c2)c1C 543427053 CIQRLRSLZDAVPA-LBPRGKRZSA-N 446.305 4.106 5 20 IIBD CNC(=O)c1cccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)c1 544398824 INOPEJMGHLIINT-UHFFFAOYSA-N 441.553 4.209 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCc1cn2cc(Br)cc(C)c2n1 546065778 NSSFHGUYDOMALB-UHFFFAOYSA-N 445.317 4.211 5 20 IIBD C[C@@H](Nc1ccc(-c2nc(-c3ccc4c(c3)CC(=O)N4)no2)cc1[N+](=O)[O-])c1ccccn1 546283671 CBSZPAKMWQXIAQ-CYBMUJFWSA-N 442.435 4.375 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)c1noc(-c2n[nH]c3ccc([N+](=O)[O-])cc23)n1 546521697 VOJXFUOCSBZZSJ-HNNXBMFYSA-N 430.218 4.019 5 20 IIBD CCN(CC)CCOc1ccc(-c2noc(-c3ccc(F)cc3[N+](=O)[O-])n2)cc1OC 546982874 LFITUBHFHJFSMQ-UHFFFAOYSA-N 430.436 4.180 5 20 IIBD CC(C)(C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1F 547242584 RZVFJBUPOWMXOK-UHFFFAOYSA-N 434.489 4.367 5 20 IIBD CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])c1 554205890 PBBSOLMYYCDYEU-UHFFFAOYSA-N 432.908 4.435 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 555026900 RIROXIXFDBTAIQ-HXUWFJFHSA-N 438.871 4.050 5 20 IIBD C/C(=C\c1ccccc1)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 555474650 IFGZIACFSGYNIO-ZPBCLNFZSA-N 433.512 4.430 5 20 IIBD Cn1ccnc1[C@H](N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1ccc([N+](=O)[O-])cc1 556885054 KYKZMDIQNNOISR-MGPUTAFESA-N 429.883 4.079 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2CCC=C(c3ccco3)C2)c([N+](=O)[O-])c1 557697661 JBZLYAVUKORAHO-UHFFFAOYSA-N 432.432 4.499 5 20 IIBD CC(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 561963546 KPIGPRWNXUWMOH-UGSOOPFHSA-N 427.448 4.355 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1Sc1nnc(N2CCCCC2)n1-c1ccc(C)cc1 564245370 YAGTVCCAOFCNPW-UHFFFAOYSA-N 427.534 4.150 5 20 IIBD CCc1c(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cnn1-c1cccc(Cl)c1 568018766 FHOURWFAITVOFN-UHFFFAOYSA-N 441.875 4.423 5 20 IIBD O=C1CCC(=O)N1c1ccc(-c2nc(CSc3ccc(Cl)cc3)no2)cc1[N+](=O)[O-] 568810877 AUNDQAGRVSXLJG-UHFFFAOYSA-N 444.856 4.244 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 576197201 ZGLIAKRJXPSKFA-BHIYHBOVSA-N 442.947 4.029 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCc3noc4c3CCCC4)cc2[N+](=O)[O-])n1 576256911 DVQJQQWLCFBLQH-UHFFFAOYSA-N 430.511 4.308 5 20 IIBD COc1ccc(CN(C)C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(OC)c1 598786124 MJESQAWQUMZVSN-UHFFFAOYSA-N 444.431 4.382 5 20 IIBD Cc1cc(=O)c(C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)nn1-c1ccccc1[N+](=O)[O-] 603553753 PLDJBVAXGSHMIK-KRWDZBQOSA-N 438.871 4.080 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(-n3nc(C)cc3C)c(F)c2)cc1[N+](=O)[O-] 603989421 IEAIALMRGGNJFL-UHFFFAOYSA-N 444.488 4.417 5 20 IIBD C[C@@H](Nc1cccc(COCC(F)(F)C(F)F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 604045738 GGNZMEDODNPDNF-GFCCVEGCSA-N 429.370 4.451 5 20 IIBD CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 609030633 ZXXCEYDHJIGDEU-UHFFFAOYSA-N 439.740 4.283 5 20 IIBD COc1cc(C(=O)NC(C)(C)c2cccs2)c([N+](=O)[O-])cc1OCc1cscn1 609726667 ORJZAHOJUDLOLW-UHFFFAOYSA-N 433.511 4.366 5 20 IIBD COC(=O)c1sc2ccccc2c1CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 609731335 HEGGQUNDNMBKNJ-UHFFFAOYSA-N 448.884 4.335 5 20 IIBD CCOC(=O)CC[C@@H]1CCCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C1 611047182 CIGYBJRZFOGYSU-SFHVURJKSA-N 431.533 4.027 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CC(=O)NC2CCCC2)CC1 611538534 VXAZLQPUCDOQIM-UHFFFAOYSA-N 433.574 4.398 5 20 IIBD Cn1ccnc1[C@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 612634132 BYFXISWMBPDWKF-LJQANCHMSA-N 447.417 4.055 5 20 IIBD CC(C)[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)Nc1ccccc1F 725985460 KDKLJZGXIJJVKP-INIZCTEOSA-N 439.237 4.317 5 20 IIBD O=C(Nc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cccs1 726520433 GLEIJWIKTVAZRP-UHFFFAOYSA-N 437.886 4.363 5 20 IIBD O=C(Nc1ccc(CNC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1)c1ccc(F)cc1 727709094 IIAQBYYDUHCTBL-UHFFFAOYSA-N 429.354 4.194 5 20 IIBD COc1ccc(CC(=O)O[C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)cc1[N+](=O)[O-] 727888681 VPLJVNQAZLIKHG-QGZVFWFLSA-N 448.475 4.307 5 20 IIBD CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)OCCOc1ccc([N+](=O)[O-])cc1)O[C@H](C)C2 730657131 VLWSVVGNZRVXCD-HEFCMCLBSA-N 427.453 4.043 5 20 IIBD C[C@@H](c1cc2ccccc2o1)N(C)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 733184157 AHVTXKPXYRBLEB-HNNXBMFYSA-N 429.498 4.323 5 20 IIBD COc1cc(C(=O)NC[C@@H](OC)C(F)(F)F)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 733239783 FHTYBEDHMJGRDP-MRXNPFEDSA-N 448.781 4.356 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 735646183 TUSOLHSDUQUCDB-MRXNPFEDSA-N 446.887 4.170 5 20 IIBD C[C@@H](Cc1ccccc1F)C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 738772950 JYOVXWPBFLCKAJ-NSHDSACASA-N 428.338 4.113 5 20 IIBD CCOC(=O)c1cc(C(=O)Oc2ccc(NC(=O)OC(C)(C)C)cc2)cc([N+](=O)[O-])c1 742094379 DWKIYZTYFPGHJC-UHFFFAOYSA-N 430.413 4.338 5 20 IIBD Cc1cccc(C)c1NC(=O)CCCOC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 748949792 WEEGKEIMIDVBDL-UHFFFAOYSA-N 429.429 4.312 5 20 IIBD CCO[C@@H]1C[C@H](OC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C1(CC)CC 749095535 VFQQWKKYSFEOBD-SJORKVTESA-N 434.518 4.015 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Oc1ccc(Cc2ccccc2)cc1 749134675 BXEXZJBEJPYMHF-UHFFFAOYSA-N 432.432 4.479 5 20 IIBD C[C@@H](OC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1nc2cc(Cl)ccc2n1C 750219651 GCPOIANLYYLAQQ-GFCCVEGCSA-N 425.832 4.239 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCCCC[C@H]1C[C@H](O)c1ccccc1 752114839 OCVUXYPUIZVZDQ-CVDCTZTESA-N 434.496 4.289 5 20 IIBD O=C(OCc1nc(-c2cc(Br)cs2)no1)c1c(F)ccc([N+](=O)[O-])c1F 752563762 DGVOHHIUFGDXKZ-UHFFFAOYSA-N 446.185 4.104 5 20 IIBD Cc1ccccc1-n1nc(C)c(CN(C)CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)c1C 752788363 JDXKJOZCOFUDPJ-UHFFFAOYSA-N 448.527 4.037 5 20 IIBD COCCCOc1cccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c1 755016933 LKDFHNQVTGBSCF-UHFFFAOYSA-N 427.226 4.164 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1SC 760518840 KAFZFRLJYRCJAX-UHFFFAOYSA-N 445.409 4.246 5 20 IIBD COc1ccc(C[C@@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3Br)C2)cc1 760837347 GASAGPIFECVCOK-HNNXBMFYSA-N 433.302 4.461 5 20 IIBD O=C(N(CCCOc1ccccc1)C1CCOCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 766132748 ZDKXSYBKXWXPOP-UHFFFAOYSA-N 434.439 4.163 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 768273508 IMFMAHCWWIWODM-HNNXBMFYSA-N 449.504 4.166 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(CNC(=O)C2CCCC2)cc1 770325279 MTYTVHJUUOVBKB-UHFFFAOYSA-N 446.301 4.416 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3ccnn3C(CC)CC)CC2)ccc1[N+](=O)[O-] 770571331 KGPHUCMQOWIXNC-UHFFFAOYSA-N 430.505 4.377 5 20 IIBD CC(C)OC[C@H]1CN([C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)CCO1 770706600 ADFLAISOQPVLNO-NQIIRXRSSA-N 447.919 4.054 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)[C@H](O)c1c(Cl)cccc1Cl 771719921 UPLBGMRIOBNAGY-BLVKFPJESA-N 438.311 4.354 5 20 IIBD C[C@H]1C[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCN1C(=O)OC(C)(C)C 775239473 ZHWONIRAOMUKCQ-DOTOQJQBSA-N 432.521 4.057 5 20 IIBD CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 777831159 WNFPEPSEGILIHQ-UHFFFAOYSA-N 426.473 4.446 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1csc(Cc2cccc(F)c2)n1 780184773 QBCNMJHXSDRLDP-UHFFFAOYSA-N 440.412 4.188 5 20 IIBD COc1ccc(C[C@H](C)C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC 781160372 CATZOEQAYNWZAF-AWEZNQCLSA-N 426.425 4.189 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC1(c2cccc(Br)c2)CCC1 781615639 VZORNAZQPIIZLA-UHFFFAOYSA-N 448.273 4.394 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCc1cc(Cl)ccc1OC(F)F 781691654 IUUMQGWVJWFDOL-UHFFFAOYSA-N 429.763 4.007 5 20 IIBD Cc1ccccc1-c1noc([C@@H](C)OC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)n1 786787681 SPGPAQXZVUQSSK-CQSZACIVSA-N 434.408 4.185 5 20 IIBD O=C(Cc1ccc(Br)c(Cl)c1)OCc1nc2cc([N+](=O)[O-])ccc2o1 787812513 LZYSNXAMIQTMES-UHFFFAOYSA-N 425.622 4.438 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 790563954 JYTCIVCURZDSMN-NSHDSACASA-N 430.238 4.117 5 20 IIBD CC(=O)CCc1ccc2oc(C(=O)OCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(C)c2c1 791651258 NYIKQMPUGUQPKW-UHFFFAOYSA-N 426.381 4.436 5 20 IIBD CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cn1 792329146 CIIWDGOJIQLGIV-NRFANRHFSA-N 437.500 4.196 5 20 IIBD CC(C)([C@@H](OC(=O)c1cccc(-c2nc[nH]n2)c1)c1ccc(Br)cc1)[N+](=O)[O-] 793203410 KTBRTDQJLZGTAT-INIZCTEOSA-N 445.273 4.188 5 20 IIBD CCOC(=O)c1nc(-c2ccccc2)oc1COC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] 796440006 QONSKQOWMBZBIU-UHFFFAOYSA-N 438.436 4.448 5 20 IIBD CC(C)(C(=O)OCC(=O)Nc1ccc(N2CCCCC2)cc1)c1ccccc1[N+](=O)[O-] 796445955 RLMMVVPTGZLNRG-UHFFFAOYSA-N 425.485 4.045 5 20 IIBD COc1cc([N+](=O)[O-])ccc1COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 797474356 CZVDRMDPHRJYAW-HXUWFJFHSA-N 438.402 4.101 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1 798390780 VNIWKVJLLBAOFJ-UHFFFAOYSA-N 434.452 4.296 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 799783424 CBTVFKZVROCHQX-RTBURBONSA-N 433.549 4.317 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 803425931 SYVRUMDXQGSDGN-INIZCTEOSA-N 432.402 4.370 5 20 IIBD CC[C@H](OC(=O)c1ccc(I)c([N+](=O)[O-])c1)c1ccc(F)cn1 808949527 YYKIJMGZXMRVBA-AWEZNQCLSA-N 430.173 4.042 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(N2CCC(c3nc(-c4ccccc4)no3)CC2)cc1Cl 811803512 VRKQRFGHUJVDCW-UHFFFAOYSA-N 442.859 4.469 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 813244884 WAEZJDXSNPOUTO-UHFFFAOYSA-N 435.823 4.297 5 20 IIBD CN(C)c1cc(F)c(C(=O)OCc2ccc(OCc3ccncc3)cc2)cc1[N+](=O)[O-] 814482477 CRFYEKSZADGYHB-UHFFFAOYSA-N 425.416 4.131 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC12CCC2 816848355 YYGDTTWKXXWMNP-MRXNPFEDSA-N 431.533 4.311 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1[C@H]1Nc2ccccc2C(=O)N1CCNC(=O)OC(C)(C)C 877855096 GHSYQLBEGSUYRE-FQEVSTJZSA-N 440.500 4.303 5 20 IIBD CCOc1ccc(N2C(=O)/C(=C/NNc3cccc([N+](=O)[O-])c3)c3ccccc3C2=O)cc1 912744892 MVWGLMCIQMXFIL-PXLXIMEGSA-N 444.447 4.138 5 20 IIBD C[C@@H](OC(=O)Cc1ccc(-n2cccc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 914976425 RUAYMQQGOUDFRQ-CQSZACIVSA-N 427.844 4.152 5 20 IIBD CN1CCN(c2ccccc2NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 916557157 DTMAUYPDGDAMTQ-UHFFFAOYSA-N 445.523 4.211 5 20 IIBD O=C(c1ccc(Cl)cc1)c1ccc(OS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 918190368 HCTPTNZYJONQQY-UHFFFAOYSA-N 435.816 4.386 5 20 IIBD Cc1c(C(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 918674061 UKLQDFJZAVMKFC-DTORHVGOSA-N 429.273 4.014 5 20 IIBD Cc1c(C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 918674062 UKLQDFJZAVMKFC-IUCAKERBSA-N 429.273 4.014 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 918675171 AEQKPDXRAWZJTB-VSRBDQBUSA-N 430.302 4.013 5 20 IIBD C[C@H](C(=O)Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-])S(=O)(=O)c1ccc(F)cc1 920329674 NKKWZLLHPJHIQJ-CQSZACIVSA-N 429.425 4.169 5 20 IIBD CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-] 920330843 PRLXYDFNXKCVQE-QFIPXVFZSA-N 443.459 4.396 5 20 IIBD CCn1cc([C@@H]2C[S@](=O)CCN2Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cn1 1255764819 MZCRMMXJYKBBGS-WWOZWPLTSA-N 448.932 4.030 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2ccc(OCC(F)(F)F)cc2s1 1317896055 SXAYZHXXPXXVRA-UHFFFAOYSA-N 426.376 4.440 5 20 IIBD Cc1cccc2sc(C(=O)OCC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)c(Cl)c12 1318145762 ONUAGLYJIWGGJQ-UHFFFAOYSA-N 448.840 4.296 5 20 IIBD COc1cc(CNc2cnn(Cc3cccnc3)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 1321653343 HZXWNGTVWXRUTC-UHFFFAOYSA-N 445.479 4.434 5 20 IIBD CCOc1ccc(NC(=O)CN2CCC(Nc3ccccc3Cl)CC2)c([N+](=O)[O-])c1 1322853044 KTBDKWVUHNEJQN-UHFFFAOYSA-N 432.908 4.162 5 20 IIBD CCOC(=O)c1cc([N+](=O)[O-])c(N2Cc3ccc(O)cc3C3(CC3)C2)cc1Br 1323985096 CWEFXIJKAWIKJI-UHFFFAOYSA-N 447.285 4.291 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(F)cc1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] 1324947124 ZWGBHLNJSJXFGL-UHFFFAOYSA-N 439.465 4.065 5 20 IIBD O=C(N[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1)OCc1ccccc1 1332027629 RJPDFEHBDQDFBU-HSZRJFAPSA-N 445.475 4.147 5 20 IIBD COc1ccc(Nc2nn(CN3CCc4ccc([N+](=O)[O-])cc4C3)c(=S)s2)cc1 1340221420 AFMGFYIAINHXEG-UHFFFAOYSA-N 429.527 4.350 5 20 IIBD C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1csc2ccccc12 1518404233 PRYGUIKPQYFYCS-CHWSQXEVSA-N 427.457 4.179 5 20 IIBD CC1=C(C(=O)Nc2ccc(C3(NC(=O)c4cccc(F)c4[N+](=O)[O-])CCC3)cc2)CCO1 1788327866 CHPUFLHHAIZDTE-UHFFFAOYSA-N 439.443 4.176 5 20 IIBD C/C=C(\C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 1824158026 HUPLQTGCHAQUPD-VYFWZWAVSA-N 447.963 4.377 5 20 IIBD O=C(CCC1CCCC1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 1829829443 HKOINYCXTIZLFV-FQEVSTJZSA-N 430.549 4.127 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(F)CCC2)CC1 1830728512 DRRDCMBNALOEED-IBGZPJMESA-N 449.498 4.168 5 20 IIBD CC(C)(C)CCCCCC(=O)N1CC2(CCCN2C(=O)Cc2cc([N+](=O)[O-])ccc2F)C1 1841878101 ZYLSDIMTASURAG-UHFFFAOYSA-N 447.551 4.476 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cc(C2CCCC2)nn1-c1ccccc1 9654064 YKAUUZYUHNBVCS-UHFFFAOYSA-N 434.452 4.234 5 20 IIBD Cc1cc(Cl)ccc1NC(=O)COC(=O)c1ccc(Br)c([N+](=O)[O-])c1 9848931 NFMCZOCRFGCZSS-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD C[C@@H](OC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NC1CCCC1 11029230 HYJPAJWKBZVJHB-CYBMUJFWSA-N 444.871 4.083 5 20 IIBD Cc1ccc(S(=O)(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 18940624 YSERANPKMBLFAX-UHFFFAOYSA-N 446.506 4.131 5 20 IIBD CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nc3cc4ccccc4cc3c(=O)n2C)c1 22253185 RJZPNXYFDWYREN-HNNXBMFYSA-N 431.517 4.409 5 20 IIBD CCN(Cc1ccccc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)C(C)=O 27373000 IDHWKIOPCOTTLW-UHFFFAOYSA-N 438.528 4.452 5 20 IIBD O=C(Nc1ccc(OCc2cccnc2)c(Cl)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 31470428 FGLRFQGLIOGVFF-UHFFFAOYSA-N 441.827 4.246 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(N[C@H](c2ccccc2)c2ccccn2)c([N+](=O)[O-])c1 36226899 IJSSYUMTCYWUNF-JOCHJYFZSA-N 440.525 4.222 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cc(-c2ccc3c(c2)CCC3)nn1-c1ccccc1 64332036 BUUMVBIIPLTHMQ-UHFFFAOYSA-N 442.479 4.080 5 20 IIBD CNC(=O)c1ccc(Sc2nnc(-c3ccccc3F)n2CC(C)C)c([N+](=O)[O-])c1 64905370 JDBRBTDUFNAIKZ-UHFFFAOYSA-N 429.477 4.159 5 20 IIBD Cc1nccn1-c1ccc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1F 64935720 GXYQIOFQRFIPJI-UHFFFAOYSA-N 437.456 4.282 5 20 IIBD Cc1ccc(NC(=O)[C@@H]2CCc3ccccc3N2C(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 72066766 XJDKQUPUXFDYGA-QHCPKHFHSA-N 429.476 4.432 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N(Cc1ccc(F)cc1)CC1CC1 97572939 NYALVSQQAAYPSO-UHFFFAOYSA-N 443.294 4.097 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCCc1nc2c(s1)CCCC2 110517933 SRXRAXIAOMSFNR-UHFFFAOYSA-N 431.561 4.239 5 20 IIBD COc1cc(CNC2CCN(C3CCCCC3)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F 237353863 IECYZGJMEBWXGC-UHFFFAOYSA-N 445.482 4.431 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cccc(-n2ncc(C(=O)O)c2C(F)(F)F)c1 237957849 ACWUCELNHJMQTQ-UHFFFAOYSA-N 448.357 4.069 5 20 IIBD Cc1cc(N[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)ncc1[N+](=O)[O-] 301443515 PRZNGQVVIKPRQM-FQEVSTJZSA-N 433.436 4.181 5 20 IIBD O=[N+]([O-])c1cncc(Br)c1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 302173834 MOGLMQCZTHQSFV-CQSZACIVSA-N 432.196 4.349 5 20 IIBD C[C@H](C(=O)Nc1c(F)cccc1Oc1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 410040160 WWRRVTLKVWDZAQ-CYBMUJFWSA-N 449.394 4.149 5 20 IIBD O=C(O)C[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cnn(-c2ccccc2)c1 426728926 YQZFFGGBAQQIKM-HXUWFJFHSA-N 432.436 4.346 5 20 IIBD O=C(O)[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1csc(-c2ccsc2)n1 426732090 RJKIVPTYMWCBGB-KRWDZBQOSA-N 428.495 4.047 5 20 IIBD O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N(Cc1cccc(-c2cccnc2)c1)C1CC1 427582056 CJHIYDUTHHGTJV-UHFFFAOYSA-N 440.463 4.042 5 20 IIBD CC(C)Oc1ccc(CC[C@@H](C)NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)cc1 427924553 KERQSMKUICYYMI-QGZVFWFLSA-N 437.496 4.447 5 20 IIBD Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)c12 427977254 LBIFERAWAQHCFD-UHFFFAOYSA-N 448.410 4.280 5 20 IIBD CC(C)(NC(=O)c1cc(F)ccc1I)c1ccc([N+](=O)[O-])cc1 430518617 FORMFGAROGXPQU-UHFFFAOYSA-N 428.201 4.004 5 20 IIBD O=C(Nc1cccc(Oc2ncc(Br)cn2)c1)c1ccc(F)cc1[N+](=O)[O-] 431893795 JGXILTYYNHEQRS-UHFFFAOYSA-N 433.193 4.331 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3ccc(-c4ccc[nH]4)cc3)CC2)ccc1[N+](=O)[O-] 432348593 RHCBDMPEHFNNCC-UHFFFAOYSA-N 435.484 4.343 5 20 IIBD CC(C)(NC(=O)Nc1ccc(CCN2CCSCC2)cc1)c1ccccc1[N+](=O)[O-] 432770022 UTEVKQZRUPVAIM-UHFFFAOYSA-N 428.558 4.243 5 20 IIBD CN(CCSCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccccc1 433025897 BRTUHMJXORRLCZ-UHFFFAOYSA-N 438.347 4.161 5 20 IIBD CCOc1ccc(NC(=O)c2ccc(NC(=O)c3[nH]nc(C(C)C)c3[N+](=O)[O-])cc2)cc1 433865670 RVPDXUDJRXKISS-UHFFFAOYSA-N 437.456 4.345 5 20 IIBD CC1(C)CN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCS1 434560072 UGGGNBCTEREBRD-UHFFFAOYSA-N 433.917 4.468 5 20 IIBD CSC1(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)CCC1 435319908 NGIKPFGTSKJLNR-UHFFFAOYSA-N 437.568 4.148 5 20 IIBD Cc1ccc(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c(OC[C@@H]2CCCO2)c1 437980282 QTIYOCWFGGHPFN-NRFANRHFSA-N 439.512 4.335 5 20 IIBD O=C(Nc1cccc(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1)c1ccccn1 438013102 OCELNKNSZGXCCE-UHFFFAOYSA-N 445.479 4.116 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCc3ccccc3N(C)C(C)C)cc2)c(C)c1[N+](=O)[O-] 438472264 XGAOPLDFDNLELA-UHFFFAOYSA-N 435.528 4.231 5 20 IIBD CCCOc1ccc(Cl)cc1NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 438667076 XAZAPMDORNUTJM-UHFFFAOYSA-N 433.892 4.413 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] 439229176 KFYMTHRGCATHES-PIGZYNQJSA-N 425.304 4.047 5 20 IIBD Cc1ccc(Cl)c(N(Cc2ncc[nH]2)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1 440880955 ZTHIVSASVJXKRR-UHFFFAOYSA-N 436.859 4.312 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CC(OCCCc2ccccc2)C1 444106727 HCPSWMVTHYCJBJ-UHFFFAOYSA-N 448.469 4.433 5 20 IIBD O=C(NC[C@@H]1CCCCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccccc1 444112860 QGEKACZGBKYAEX-FQEVSTJZSA-N 439.515 4.106 5 20 IIBD Cc1nc2cc(C(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)ccc2n1-c1ccccc1 444628997 BSUCTKVKGDGHSF-UHFFFAOYSA-N 426.436 4.048 5 20 IIBD Cn1cnc([N+](=O)[O-])c1-c1noc(CCc2ncc(-c3ccc(Cl)cc3Cl)o2)n1 445585871 YFTWSSVRDJYNPN-UHFFFAOYSA-N 435.227 4.125 5 20 IIBD Cc1nnc2ccc(-c3noc(-c4ccc(N5C[C@H](C)C[C@@H](C)C5)c([N+](=O)[O-])c4)n3)cn12 445640389 RUJQDXKBLDOEFY-ZIAGYGMSSA-N 433.472 4.145 5 20 IIBD CN(Cc1ccccc1Br)C(=O)Cc1ccc([N+](=O)[O-])cc1Br 445645988 BTDZSRRMHMQNAN-UHFFFAOYSA-N 442.107 4.321 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC(Nc2ccc(F)cc2)CC1 446173898 YPHQHUZUQLWLPU-UHFFFAOYSA-N 436.281 4.142 5 20 IIBD CN(Cc1ccccc1N1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 446943522 XRIAGKROJKZPKF-UHFFFAOYSA-N 443.447 4.035 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(Br)c(C)c2F)c([N+](=O)[O-])cc1OC 447639572 MXPBEMQCQJACSA-UHFFFAOYSA-N 427.226 4.464 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@](C)(CO)C2CCCCC2)cc1[N+](=O)[O-])c1ccccn1 460496856 MQTINOAXAGUJFG-QMHKHESXSA-N 426.517 4.224 5 20 IIBD C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCCO2)[C@H]2CCCC[C@@H]12 461882973 XLDUBDIDAJVTEM-SEVLPDGMSA-N 425.533 4.437 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@](CO)(c3ccccc3)C2)cc1OC 463364228 CRHZFQDJWZKYEH-UUOWRZLLSA-N 428.529 4.164 5 20 IIBD COc1cc(CNC[C@]2(C)CCO[C@@H]2C2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 466454188 KSXDNUPXUVXHOI-RPWUZVMVSA-N 426.513 4.477 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1nc(/C=C\c2ccccc2)cs1 469535460 MJHLMALKABJILC-SNGWPZLWSA-N 426.502 4.093 5 20 IIBD CN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCCN(Cc2ccccc2)C1 470671791 AWDMZCGDXZUUJC-FQEVSTJZSA-N 436.537 4.455 5 20 IIBD O=C(N[C@H](Cc1ccccn1)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 474972257 OYTVIBYGFSZDQV-LJQANCHMSA-N 426.270 4.466 5 20 IIBD COC(=O)COc1ccc(CN(C)[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] 475557726 BKVCNGPWFSUJNY-ZDUSSCGKSA-N 426.391 4.358 5 20 IIBD O=[N+]([O-])c1cc2c(cc1S(=O)(=O)Nc1cccc(COC3CCCCC3)c1)OCCO2 476773913 NGFYPTCXMYXYTR-UHFFFAOYSA-N 448.497 4.016 5 20 IIBD O=C(N[C@@H](CO)Cc1ccncc1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 476969815 OETMGRHKQBVQJW-QGZVFWFLSA-N 443.912 4.128 5 20 IIBD COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COc2ncc(C)cc2[N+](=O)[O-])cc1 477136128 LHENKRYDXLVFQH-NRFANRHFSA-N 446.463 4.064 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F 478469209 REYYUKZOOYXELM-INIZCTEOSA-N 441.793 4.072 5 20 IIBD CCOc1cc(Br)ccc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 478722007 SSEZBLWASXUHPR-UHFFFAOYSA-N 431.246 4.194 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@H]2CCO[C@@H](C(C)(C)C)C2)cc1[N+](=O)[O-])c1ccccn1 481015775 PJOWLCFRAYGEBF-HZUJVAHNSA-N 426.517 4.486 5 20 IIBD O=[N+]([O-])c1ccn(CCSc2nnc(Cc3ccccc3)n2-c2ccc(Cl)cc2)n1 481244621 BOLMAFBTKSWRMN-UHFFFAOYSA-N 440.916 4.409 5 20 IIBD COCCOc1ccc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1Cl 481687023 NJKVEBGVAHAZET-UHFFFAOYSA-N 428.272 4.291 5 20 IIBD COC(=O)c1cc(OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)ccc1[N+](=O)[O-] 481943871 NTGVEZYKLRRHHF-UHFFFAOYSA-N 433.631 4.359 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1SC 482605769 NYRPGGCGCGPMAA-UHFFFAOYSA-N 444.431 4.334 5 20 IIBD COC(=O)c1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)c(C)c([N+](=O)[O-])c1 485982527 SUJWJFBBOBGFLZ-CABCVRRESA-N 433.258 4.195 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] 486638911 JYHQUOKNXGYBLP-LJQANCHMSA-N 441.553 4.436 5 20 IIBD CC(=O)c1cc(NC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])ccc1F 486785805 KCEFPALDLVYZEQ-GOSISDBHSA-N 431.420 4.141 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NC[C@@H](Cc1ccccc1)c1ccccc1 488265253 MQUYCMYAIFAAFE-OAQYLSRUSA-N 432.476 4.051 5 20 IIBD NC(=O)c1ccnc(NC[C@H](OCc2ccccc2)c2ccc(Cl)cc2)c1[N+](=O)[O-] 488676469 OUROMTOTIQQXPF-SFHVURJKSA-N 426.860 4.112 5 20 IIBD C[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(OCc2ccc(F)cc2)cc1 488696359 FNAZURKJBAZDOF-MRXNPFEDSA-N 444.484 4.494 5 20 IIBD O=C(c1coc(-c2ccc(Br)cc2F)n1)N1CCc2c1cccc2[N+](=O)[O-] 489740868 NNWNSGORTSUVJC-UHFFFAOYSA-N 432.205 4.354 5 20 IIBD O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 495042745 CVKWDLPFBMFKQM-ZDUSSCGKSA-N 440.472 4.291 5 20 IIBD CC(C)(C)c1noc(COc2ccc(Oc3cccc(S(C)(=O)=O)c3[N+](=O)[O-])cc2)n1 497534293 PXVRZPCRKCBGBT-UHFFFAOYSA-N 447.469 4.050 5 20 IIBD CCOC(=O)c1cc2cc(C(=O)N3CCS[C@@H]3c3ccc([N+](=O)[O-])cc3)ccc2[nH]1 498136320 RXMXSNSGBHDWJZ-HXUWFJFHSA-N 425.466 4.141 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2cccc(Br)c2)C1 500268973 YRWFSOKHSVNOOC-LJQANCHMSA-N 448.317 4.150 5 20 IIBD COC(=O)CCCNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 500731626 RLZPIEYHFPXGMR-DTQAZKPQSA-N 439.493 4.205 5 20 IIBD CCC1(CC)CN(C(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)c2ccccc21 500854391 ZIBCDKQFKDBTJE-UHFFFAOYSA-N 432.480 4.167 5 20 IIBD Cc1ccc(C(=O)N2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)cc1F 506476987 LNZLNOGHFALIFH-UHFFFAOYSA-N 440.500 4.124 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2cccc(Cn3cncn3)c2)cc1[N+](=O)[O-])c1ccccn1 507424540 OTJCZQZPDMHZBT-MRXNPFEDSA-N 443.467 4.055 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCC[C@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1OC 510097078 FUKGSWLIXPWKAQ-HKUYNNGSSA-N 441.528 4.033 5 20 IIBD O=C(NCC1(c2cccc(Br)c2)CCOCC1)Nc1cccc([N+](=O)[O-])c1 511261672 PMIJHEUJMYGJAI-UHFFFAOYSA-N 434.290 4.227 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@H]2c2cccc(Br)c2)cc1 515521492 XWALZAPVNGVJCP-KRWDZBQOSA-N 425.304 4.024 5 20 IIBD COc1ccc(Cl)cc1C1(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCOCC1 517655914 FEYGGKOZYGQFFZ-UHFFFAOYSA-N 439.295 4.388 5 20 IIBD O=C(NCc1cccc(NC(=O)C2CCCCC2)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 519025890 ZSSJUOMIGQDDIW-UHFFFAOYSA-N 447.495 4.229 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H](O)COc3ccccc3)o2)c(Br)c1 521822803 RLVVFBWXJJHEJJ-HNNXBMFYSA-N 447.285 4.147 5 20 IIBD COc1cc(CCNC(=O)N2CCCCC[C@H]2c2ccc(C)o2)c([N+](=O)[O-])cc1OC 523471369 JQKJSOOOXWHDMP-KRWDZBQOSA-N 431.489 4.383 5 20 IIBD CCN1CCN(c2ccc(NC(=O)NCCCCc3ccc([N+](=O)[O-])cc3)c(C)c2)CC1 523551716 BVCXKMGNAIQBNR-UHFFFAOYSA-N 439.560 4.190 5 20 IIBD C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1nc(-c2ccncc2)cs1 524253795 VSPHWVCHAONFJQ-SNVBAGLBSA-N 433.287 4.367 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1 524269136 KWAWFRRQVMIEAN-NRFANRHFSA-N 425.872 4.389 5 20 IIBD O=C(NC1CC1)c1ccc(CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C2CC2)cc1 524767549 NBOLVHAPFVRLTA-UHFFFAOYSA-N 447.413 4.311 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(CC(F)(F)F)cc2)ccc1[N+](=O)[O-] 525024773 CFLBJUVNRXKJAK-GOSISDBHSA-N 435.402 4.251 5 20 IIBD COc1cc(C(=O)Nc2cccc(CSC3CCOCC3)c2)cc([N+](=O)[O-])c1OC 525585124 UFUSDVGPIHIJSR-UHFFFAOYSA-N 432.498 4.277 5 20 IIBD COc1ccc(C[C@H](C)CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 533944077 IKWRZMKANSSWDH-KRWDZBQOSA-N 427.501 4.035 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N[C@@H]1C=C[C@H](CO)C1 534166696 JCKWUCOIOWGEAR-BYOZRPMQSA-N 435.505 4.188 5 20 IIBD Cc1ccc2nc(COc3ccccc3C(=O)NCCc3cccc([N+](=O)[O-])c3)cn2c1 534734135 XGYLEZYYFNEPTM-UHFFFAOYSA-N 430.464 4.102 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(C[S@@](=O)Cc3nnc(-c4ccccc4Cl)o3)co2)cc1 534796444 KAWVBSKJALIXGH-SSEXGKCCSA-N 444.856 4.402 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(CCSc3ccnc4cc(Cl)ccc34)CC2)cn1 537600855 FWZXJGWYJVXAMF-UHFFFAOYSA-N 429.933 4.106 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CC2(CCCC2)c2c(F)cccc21 540641790 JXGXLMOVQFJBGL-UHFFFAOYSA-N 425.460 4.043 5 20 IIBD C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1cc2c(cc1Br)OCCO2 542720051 PSXZVUBXJGFYKZ-VIFPVBQESA-N 440.225 4.150 5 20 IIBD COc1cc(CN[C@H](C)c2nc(C3CCCCC3)no2)c([N+](=O)[O-])cc1OC(F)F 543542673 KRTMRGSAGYMDPW-LLVKDONJSA-N 426.420 4.486 5 20 IIBD CN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@H](c1cccc(F)c1)c1cnn(C)c1 544080405 OOINQCXOKYBWGC-HXUWFJFHSA-N 448.907 4.461 5 20 IIBD Cc1c(Cc2noc([C@@H]3CC(=O)N(c4ccc(Cl)c(F)c4)C3)n2)cccc1[N+](=O)[O-] 545076685 FSBDKCZTWZSEDE-CYBMUJFWSA-N 430.823 4.190 5 20 IIBD COCCN([C@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] 546070975 NMQWLYDECKOAHQ-CQSZACIVSA-N 446.447 4.153 5 20 IIBD Cc1cc(Cc2noc(CCCCCNC(=O)NC3CCCCC3)n2)ccc1[N+](=O)[O-] 546494379 NVKYTAIQQSDUAX-UHFFFAOYSA-N 429.521 4.222 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1C[C@@]12CCc1cc(Br)ccc12 552272021 BSIVEHZTFQFWMH-WIYYLYMNSA-N 429.314 4.262 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(Cl)cc(C(=O)N(C)C)c1OC 552463041 YVFFCLVQBDDWDC-CQSZACIVSA-N 433.892 4.166 5 20 IIBD O=C(N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)c1cc2ccccc2c2cccnc12 561652421 ZUEDMSRELDXATF-MRXNPFEDSA-N 429.442 4.451 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1Sc1nnc(COc2ccccc2)n1-c1ccccc1 564047993 ZHEBDOWXMABILP-UHFFFAOYSA-N 436.497 4.431 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccccc1OCCc1ccccc1)c1ccccc1[N+](=O)[O-] 569152692 LMSCGZIUIUHXOH-QGZVFWFLSA-N 433.464 4.032 5 20 IIBD O=C(Cc1noc(CCCc2cccc(C(F)(F)F)c2)n1)NCc1ccc([N+](=O)[O-])cc1 569530115 HFNPEDLQOWLONZ-UHFFFAOYSA-N 448.401 4.031 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)NCCc1c[nH]c2cccc(Br)c12 574125964 VPYIPHPPJOHOSK-UHFFFAOYSA-N 434.315 4.290 5 20 IIBD COc1ccc(CNC(=O)Nc2nc(-c3ccc(SC)cc3)ns2)cc1[N+](=O)[O-] 578820719 KQAUPUNICWSOKB-UHFFFAOYSA-N 431.499 4.166 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1ccc(Br)cc1F 580915746 AUZHSWBFWDJHQI-LLVKDONJSA-N 440.269 4.184 5 20 IIBD Cc1c(CNC(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)cccc1[N+](=O)[O-] 588777832 FUYZQTYLJVQTEC-UHFFFAOYSA-N 436.295 4.017 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc(Br)cn1 588832154 IDNSIXIGIWCYQX-KRWDZBQOSA-N 445.317 4.330 5 20 IIBD O=C1CC2(CCCCC2)N(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)N1 590545797 KJXBYZXNBOPIDP-UHFFFAOYSA-N 442.903 4.440 5 20 IIBD O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 602093559 LBGSSOGPAUAMBF-UHFFFAOYSA-N 443.428 4.462 5 20 IIBD Cc1cccn2cc(COc3ccccc3C(=O)N(C)Cc3ccccc3[N+](=O)[O-])nc12 603568974 JHLBCSZWZMSDRE-UHFFFAOYSA-N 430.464 4.402 5 20 IIBD CC(C)(C)c1ccc(C(=O)NCC(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] 603970458 JQVMVSWMHQGHOR-UHFFFAOYSA-N 434.290 4.023 5 20 IIBD O=C(NCCOc1cccc(Br)c1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 604085217 WRMCPAGWJVIBFQ-UHFFFAOYSA-N 446.204 4.159 5 20 IIBD CCc1cccc(Cc2cnc(NS(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)s2)c1 608928565 UINZSVSFCGWGSY-UHFFFAOYSA-N 433.511 4.014 5 20 IIBD CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1 609698049 SLYVFNLZNBKVDK-SSEXGKCCSA-N 426.498 4.080 5 20 IIBD COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 609977922 FCOAKOLXVSZHOE-LJQANCHMSA-N 447.919 4.280 5 20 IIBD C[C@H]1CN(CCCCNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C[C@@H](C)O1 611215958 DSABAIKOBCTJMJ-CALCHBBNSA-N 435.590 4.249 5 20 IIBD COc1cc(Cc2noc(-c3cc(C)nc4onc(C(C)C)c34)n2)c([N+](=O)[O-])c(OC)c1 618438820 YAPIYOCSLJWLMZ-UHFFFAOYSA-N 439.428 4.221 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(-c2cn3ccc(C)cc3n2)cc1 619506929 INYOMHOITQBSFJ-UHFFFAOYSA-N 438.465 4.027 5 20 IIBD COC[C@@H](NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 619583382 BWHOEJNKZLODCO-MRXNPFEDSA-N 426.391 4.195 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Cc1csc(C(C)(C)C)n1 726752378 OPAYVEDRDRIDAM-UHFFFAOYSA-N 443.529 4.379 5 20 IIBD CC(C)(C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 727220040 XUMPRXUZJHUDEG-UHFFFAOYSA-N 428.338 4.212 5 20 IIBD O=C(Nc1ccc(F)c(F)c1F)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727585755 GZKHNQJJJJJCFH-UHFFFAOYSA-N 448.323 4.385 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Oc2cccc(I)c2)cc1SC 728458140 COBQVUAGKMFQLT-UHFFFAOYSA-N 445.234 4.149 5 20 IIBD COc1ccc(-c2nc(COC(=O)c3cc(SC)c(OC)cc3[N+](=O)[O-])co2)cc1 728650954 NPGWWEHELFVRPX-UHFFFAOYSA-N 430.438 4.346 5 20 IIBD COc1ccc(-c2ccc(C(=O)OCc3ccc(C(N)=O)cc3[N+](=O)[O-])c(F)c2)c(F)c1 730634086 MEXAAJNMSPZERY-UHFFFAOYSA-N 442.374 4.005 5 20 IIBD O=C(Nc1cccc(CS(=O)(=O)c2ccccc2)c1)c1cc(F)c(F)cc1[N+](=O)[O-] 731995974 GGVNUJYTSGDJLI-UHFFFAOYSA-N 432.404 4.099 5 20 IIBD CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 733872917 NXIVMIMNHAJUCO-JLTOFOAXSA-N 425.551 4.131 5 20 IIBD Cc1ccc(OCc2cccc(C(=O)O[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])c2)cn1 734057249 JASCENAUSHWGDS-MRXNPFEDSA-N 435.436 4.061 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 735250710 IUTQHLWQBRSFIS-UHFFFAOYSA-N 446.379 4.128 5 20 IIBD CC(C)c1nc(C(=O)OCCCOc2ccc([N+](=O)[O-])cc2)nn1-c1cccc(F)c1 735556743 ULKAMGRWXRHSEM-UHFFFAOYSA-N 428.420 4.064 5 20 IIBD CCOC(=O)c1cc(Br)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 741576177 PIEWZTLQSMSUFY-UHFFFAOYSA-N 427.638 4.440 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cccc(N[C@H](C)C(C)C)c1C 741748772 OLIBVMMRZUTHCJ-OAHLLOKOSA-N 429.473 4.164 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCC1(c2cccc(C(F)(F)F)c2)CCC1 742113100 QLMIZOWTGQWCSB-UHFFFAOYSA-N 432.402 4.201 5 20 IIBD COc1ccc([C@H](Cc2ccccc2C)NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1OC 742411160 OQMVMTPGRCVRDB-FQEVSTJZSA-N 435.480 4.216 5 20 IIBD C[C@@H](C(=O)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1C(F)(F)F 744067009 ZZZVACFJPLOAFZ-LLVKDONJSA-N 444.793 4.344 5 20 IIBD CCN(CC)c1nc2sc(C(=O)O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2s1 744555059 AITZSMBSAALLNW-NSHDSACASA-N 448.526 4.296 5 20 IIBD COc1ccc(-c2ncc(C(=O)OCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)s2)cc1 745558178 KXVXOCZWCXCNND-UHFFFAOYSA-N 447.856 4.176 5 20 IIBD O=c1ccc2cc(S(=O)(=O)Oc3ccc(Cc4ccccc4)cc3[N+](=O)[O-])ccc2o1 748067175 HVGUTZABDOZCII-UHFFFAOYSA-N 437.429 4.060 5 20 IIBD C[C@H](OC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc2c(c1)CC(=O)N2 748505911 AQRMVJOHQWHWAP-NSHDSACASA-N 437.374 4.215 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc(-c3cccc(Cl)c3)no2)cccc1[N+](=O)[O-] 748923249 FETFPCKKLYYDSW-GFCCVEGCSA-N 429.816 4.396 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCCC[C@@H]1C[C@@H](O)c1cccs1 750839333 UEOOMGDTKOHGJZ-VQIMIIECSA-N 447.557 4.362 5 20 IIBD CSc1ccc(C(=O)NCc2ccc(CCNC(=O)OC(C)(C)C)cc2)cc1[N+](=O)[O-] 751228656 FBGVRZSKEDYBPX-UHFFFAOYSA-N 445.541 4.314 5 20 IIBD NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)OCc2nc3ccccc3c3ccccc23)c1 751803321 METVTYPCVJSXSN-UHFFFAOYSA-N 444.871 4.185 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](N(C)c3ccc(C)cc3)C2)cc1OC 753048284 BMXQTBIJKBKJHG-GOSISDBHSA-N 427.501 4.052 5 20 IIBD C[C@@H]1C[C@H](CCNC(=O)c2cc([N+](=O)[O-])ccc2Br)CN1Cc1ccccc1 753293445 JQDSAKORUBJSCJ-WBVHZDCISA-N 446.345 4.388 5 20 IIBD O=C(NCCCCOCCc1ccccc1)c1cc(F)cc([N+](=O)[O-])c1Br 754992519 ZXJVJRWRQPFWEO-UHFFFAOYSA-N 439.281 4.266 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCN(c2nc3ccccc3s2)C1 756998225 XYWNOKKOYSCFCV-ZDUSSCGKSA-N 430.917 4.391 5 20 IIBD COc1ccc(C[C@H](C)C(=O)OC2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)cc1 759372065 AUZMKTWFCKAAOO-INIZCTEOSA-N 428.485 4.003 5 20 IIBD CCOC(=O)c1oc2ccccc2c1CNC(=O)c1cccc([N+](=O)[O-])c1Br 760809960 CUTUFJPSCMRYDP-UHFFFAOYSA-N 447.241 4.210 5 20 IIBD CN(C[C@@H]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1)C(=O)OC(C)(C)C 762585155 VCXJWWAMPFJTCN-HNNXBMFYSA-N 437.512 4.117 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccc[nH]2)cc1[N+](=O)[O-] 766544809 JSMBXLMYXOJERE-UHFFFAOYSA-N 428.788 4.276 5 20 IIBD Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)c2c1 769601817 CYBIXVDJLUOYFZ-UHFFFAOYSA-N 438.447 4.320 5 20 IIBD COc1cccc(Br)c1OC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 769714884 YKFFCMMGYANEBQ-SECBINFHSA-N 430.638 4.392 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 772560833 OBHRUDIMSPHSCK-UHFFFAOYSA-N 431.239 4.076 5 20 IIBD CN(C)c1ccc(N(Cc2ccccn2)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1 776391192 PRPNNCHJDKPLGF-UHFFFAOYSA-N 442.479 4.089 5 20 IIBD CSc1cccc(C(=O)Nc2cc3c(cc2Br)OCCO3)c1[N+](=O)[O-] 776741627 GFRXXGLVQQFTJW-UHFFFAOYSA-N 425.260 4.103 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OC(F)F)cc1OC(F)F 777917418 OYVXOMWUEJZBDI-UHFFFAOYSA-N 442.318 4.046 5 20 IIBD CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 778645367 HQNGPXGTGFARJF-QGZVFWFLSA-N 431.445 4.083 5 20 IIBD CCN(CC)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccsc1 782165871 COZFMCNMOFHQTG-OAHLLOKOSA-N 426.336 4.232 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CCCN(CCCc2ccccc2)CC1 782168644 BGKKSLRWTPPICZ-UHFFFAOYSA-N 446.345 4.138 5 20 IIBD O=C(c1cnn(-c2ccccc2)c1Br)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 782173386 FQKZPQSHYAPRGW-UHFFFAOYSA-N 441.285 4.348 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2c(F)cc(F)cc2Br)c(Cl)c1 784380518 UIGLFZPRZSZLFE-UHFFFAOYSA-N 428.594 4.057 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)C[C@@H](C)c2c[nH]c3ccccc23)c([N+](=O)[O-])c1 787220378 ZLXJODVABFKCCS-KGLIPLIRSA-N 425.441 4.149 5 20 IIBD C[C@@H](OC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1Br 789084613 ANLVKTAABYFGFI-SNVBAGLBSA-N 428.185 4.264 5 20 IIBD COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(OC(F)F)c1 789236232 ROKHQVRBFARZQF-VIFPVBQESA-N 444.774 4.042 5 20 IIBD COc1ccc(Br)c2[nH]c(C(=O)OCc3ncc(C)c([N+](=O)[O-])c3C)cc12 789443565 PCWVXQBACBPUBI-UHFFFAOYSA-N 434.246 4.216 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2F)c1F 790183301 KLFDHAIVWTWECP-UHFFFAOYSA-N 427.411 4.419 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(CC(F)(F)F)c2)c(C)c1[N+](=O)[O-] 790394279 POZIXQWPVJPHRA-UHFFFAOYSA-N 433.364 4.025 5 20 IIBD C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 791028420 UFDYSAYUDFXGFC-LBPRGKRZSA-N 435.839 4.106 5 20 IIBD CCC(CC)n1nc(C)cc1C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791234029 GXKGCDBAZWQSQX-UHFFFAOYSA-N 435.322 4.422 5 20 IIBD COc1cc(C(=O)OCc2nnc(-c3ccc(Br)cc3)o2)cc([N+](=O)[O-])c1C 791692701 FFOZDIXVJSZMDG-UHFFFAOYSA-N 448.229 4.081 5 20 IIBD Cc1ccc([C@H](C)NC(=O)NCCC2=CCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] 792974736 OXOOMYWDCPLMRA-INIZCTEOSA-N 432.521 4.221 5 20 IIBD C[C@@H]1CN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](c2cccc(C(F)(F)F)c2)O1 793707761 WEAUQYPJFTXKQH-AUUYWEPGSA-N 447.417 4.292 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(SCC(=O)c3ccc([N+](=O)[O-])cc3)o2)C1 795262831 RWESTDZKLUABCV-CQSZACIVSA-N 448.501 4.067 5 20 IIBD O=C(COC(=O)CCc1cnc2ccccc2c1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 795803459 PIDLLJKQPVFLAG-UHFFFAOYSA-N 447.369 4.276 5 20 IIBD Cc1cc(OCC(=O)O[C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)ccc1[N+](=O)[O-] 797495676 MFJFWTXQNANUPQ-ZDUSSCGKSA-N 431.832 4.214 5 20 IIBD CN(CCNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C 799601961 BNTHLKDLYOVRFO-UHFFFAOYSA-N 431.514 4.343 5 20 IIBD O=C(OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1ccc(Oc2ccccc2)cn1 799609357 FTOJIVQRBIZOBD-QGZVFWFLSA-N 447.447 4.244 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNc2ccc(C3(O)COC3)cc2)cc1 808434252 CMBQPUPLLCAWLN-UHFFFAOYSA-N 442.475 4.277 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cc(C)cc2c1NCC[C@H]2C 809554548 OGZQZYPOYTXUHZ-KGLIPLIRSA-N 427.457 4.015 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(Nc3ccc4nccnc4c3Br)CC2)cc1 809705474 UDXJVOPEXQNHTI-UHFFFAOYSA-N 428.290 4.381 5 20 IIBD COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 809917402 GVCUOQKGOKWKQH-GFCCVEGCSA-N 425.272 4.311 5 20 IIBD CO[C@@](C)(C(=O)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)C1CC1 812665956 WFQBYOZNUCTJAT-GHTZIAJQSA-N 432.860 4.286 5 20 IIBD CNC(=O)c1cccc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1Br 813247845 KRDQHDBUPQVZSF-UHFFFAOYSA-N 447.072 4.276 5 20 IIBD Cc1nc(COc2ccccc2C(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)no1 815177654 SRSQANBLJKSLEN-UHFFFAOYSA-N 437.330 4.241 5 20 IIBD C[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCCOC2=O)cc1 817278787 MLLMPLADQFOSGG-INIZCTEOSA-N 426.473 4.011 5 20 IIBD Cc1cccc(-n2ncc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)c2C(F)(F)F)c1 904967464 FYMSWUDUTMCRGP-UHFFFAOYSA-N 433.342 4.147 5 20 IIBD O=C(Nc1cccc(CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)c1)c1cccc(F)c1 917094763 JAZVXJRLXHUKSC-UHFFFAOYSA-N 448.454 4.491 5 20 IIBD Cc1cccc([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2I)c1 917867438 XODBUYDLRJFXDL-KRWDZBQOSA-N 436.249 4.485 5 20 IIBD CCN(CC)C(=O)N1CCC(C(=O)Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])CC1 920329228 CRLCYCQAIGOHGP-UHFFFAOYSA-N 425.485 4.341 5 20 IIBD CCOc1ccc(C(=O)Oc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)cn1 1317858049 FJCLQKHZOPRCPC-UHFFFAOYSA-N 432.388 4.381 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](c1ccccc1)c1noc(COc2cccc([N+](=O)[O-])c2)n1 1328266937 XYLZWDHLYGYXAP-SFHVURJKSA-N 426.429 4.171 5 20 IIBD O=[N+]([O-])c1ccccc1OCc1nnc(CCCOc2ccccc2Br)o1 1341399384 VZVFFZVZAFMJHE-UHFFFAOYSA-N 434.246 4.331 5 20 IIBD COc1cc(C(=O)NC2(c3ccc(NC(=O)C(C)(C)F)cc3)CCC2)ccc1[N+](=O)[O-] 1787943706 YRSRKSWZGYSBMX-UHFFFAOYSA-N 429.448 4.099 5 20 IIBD C[C@]1(C(=O)NC2(c3ccc(NC(=O)c4cc(O)cc([N+](=O)[O-])c4)cc3)CCC2)CC1(F)F 1790757327 NEKHAPAXVJOMIQ-HXUWFJFHSA-N 445.422 4.093 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCC2(CCCN(C(=O)C3(C)CCC3)C2)CC1 1804798007 JEPGIAGBGUTAMU-UHFFFAOYSA-N 431.508 4.077 5 20 IIBD O=C(CCC1CCC1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 1830704335 GNXHXXBGDUDTAQ-QFIPXVFZSA-N 443.544 4.114 5 20 IIBD CC/C=C(\C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(C)c([N+](=O)[O-])c2)CC1 1832519660 PEDOAMXMLJOESR-DBEDULSISA-N 441.572 4.422 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)COc1ccc2oc3ccccc3c2c1 9785314 SFLYGZIYAGRUHH-UHFFFAOYSA-N 434.404 4.363 5 20 IIBD COc1ccc(-c2nc(COC(=O)c3cc([N+](=O)[O-])ccc3N(C)C)cs2)cc1OC 10016938 XUQCSSWSXGVWLL-UHFFFAOYSA-N 443.481 4.159 5 20 IIBD COc1cc(C(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)c([N+](=O)[O-])cc1OC(F)F 10209337 YUASALFDXLYPEJ-UHFFFAOYSA-N 449.362 4.285 5 20 IIBD COc1cc(COC(=O)c2ccc([N+](=O)[O-])cc2Cl)c([N+](=O)[O-])cc1OC(F)F 10390112 ITMUHQIQCNSAOS-UHFFFAOYSA-N 432.719 4.123 5 20 IIBD Cc1cccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)o2)c1 12674927 MXSWKSHOGVXDHS-UHFFFAOYSA-N 434.861 4.249 5 20 IIBD COc1ccc([C@@H]2CCCN2C(=O)c2ccc(Br)c([N+](=O)[O-])c2)c(OC)c1 15829979 JEPJAFOXDSPQOQ-INIZCTEOSA-N 435.274 4.352 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 16862045 GCJIULUKQMLPBM-QMMMGPOBSA-N 431.754 4.033 5 20 IIBD CCOc1ccc(SCC(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 17742595 ZLDMGSREMHGXRD-ZDUSSCGKSA-N 429.454 4.440 5 20 IIBD CN(Cc1nc2ccccc2s1)c1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] 18059760 PCQVLLXHPHYVFJ-UHFFFAOYSA-N 446.554 4.016 5 20 IIBD Cc1cc(C(=O)OCC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)ccc1[N+](=O)[O-] 22736443 ZIYMMLZWODPNTK-QHCPKHFHSA-N 436.439 4.447 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@@H]3CCCc4c3cnn4C)cc2[N+](=O)[O-])n1 24987217 VKVYPFGNNLQBFA-CQSZACIVSA-N 429.527 4.052 5 20 IIBD O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 25865505 QJRPRPLAEJWPAT-UHFFFAOYSA-N 429.885 4.061 5 20 IIBD COc1ccccc1Nc1nnc(SCCC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 26364619 DQEUEWHBPAQDEZ-UHFFFAOYSA-N 431.499 4.319 5 20 IIBD Cc1csc(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n1 29886771 GKKDRVOZBNGDAP-UHFFFAOYSA-N 433.493 4.071 5 20 IIBD Cc1cc(C)n(-c2ccc(CNC(=O)COc3ccccc3[N+](=O)[O-])c(C(F)(F)F)c2)n1 63332299 CNYCJOYLPJXTQL-UHFFFAOYSA-N 448.401 4.111 5 20 IIBD O=C(Nc1ccc2ncccc2c1)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 63835517 FESBIJQJPHPMIA-UHFFFAOYSA-N 448.460 4.196 5 20 IIBD CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 64868719 QAPAMECGMSQLDU-UHFFFAOYSA-N 437.886 4.028 5 20 IIBD Cn1cc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 65072609 RDAVIDSCLNEWSN-UHFFFAOYSA-N 441.447 4.500 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCC1CCN(Cc2cccs2)CC1 109515154 VPMMAKRGELJVCD-UHFFFAOYSA-N 445.588 4.245 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc3oc(C4CC4)nc3c2)ccc1[N+](=O)[O-] 110320652 CYJQXYLDMNDDIN-IBGZPJMESA-N 434.452 4.165 5 20 IIBD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)ccc21 216502636 KYGUDFVKGDACFM-UHFFFAOYSA-N 440.525 4.149 5 20 IIBD COc1ccc(N(Cc2cccs2)C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)cc1 303428879 WINNHTFDJFXJPS-UHFFFAOYSA-N 435.465 4.093 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@H]1CCCO[C@H]1c1ccccc1 409564312 YILALGRZWWXKPO-HRFSGMKKSA-N 426.516 4.439 5 20 IIBD O=C(CCSc1nnc(-c2ccco2)n1Cc1ccco1)Nc1ccccc1[N+](=O)[O-] 410053374 FTMVQDUGOQVWEJ-UHFFFAOYSA-N 439.453 4.209 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CNc3ccc(F)cc3I)n2)cc1 425993244 AZKGDZYURCAVIB-UHFFFAOYSA-N 440.172 4.001 5 20 IIBD CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 426204126 DVXXZJCVIBYALA-PIGZYNQJSA-N 429.370 4.328 5 20 IIBD CN(Cc1cc(Br)cn1C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 426266482 JSYXWVLJQPWXTF-UHFFFAOYSA-N 449.227 4.056 5 20 IIBD CC(C)(NCC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccccc1[N+](=O)[O-] 429225293 DPMXUYUBWYKMJV-UHFFFAOYSA-N 432.452 4.460 5 20 IIBD O=C(Nc1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1)c1ccco1 429922474 IZMKDTXIKPAKLA-UHFFFAOYSA-N 430.214 4.455 5 20 IIBD Cc1c(NC(=O)C(=O)N2CCC(c3ccccc3)CC2)cc(Br)cc1[N+](=O)[O-] 430325197 IGBIESAVNMPHEF-UHFFFAOYSA-N 446.301 4.010 5 20 IIBD CCOc1cc(CCCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])ccc1OC 430618956 YBUZKJNTPFIQBC-UHFFFAOYSA-N 437.290 4.127 5 20 IIBD CC1(C)CN(c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])[C@H]1c1ccncc1 431483218 MWWGYYWOWJWBKU-NRFANRHFSA-N 444.557 4.142 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NCc2nccn2CCCc2ccccc2)c([N+](=O)[O-])c1 433643120 RNYSKLCVXMMWAP-UHFFFAOYSA-N 444.495 4.001 5 20 IIBD O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 436280452 DSEAICALVRSZNK-UHFFFAOYSA-N 434.273 4.239 5 20 IIBD COC(=O)CCc1ccc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc1 436422776 WRYNXKXHZZWTFM-UHFFFAOYSA-N 436.414 4.317 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N(CCc1ccccn1)Cc1ccncc1 438091023 XBCQPAZQWHOTJA-UHFFFAOYSA-N 440.887 4.079 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)[C@H]1C[C@]12CCCc1ccccc12)c1ccccc1[N+](=O)[O-] 438895078 OWWQKAYYSAUAEG-CZSZKKDXSA-N 436.508 4.388 5 20 IIBD Cc1cc(N2CCC(NCc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)CC2)n[nH]1 438913715 SAMVTNHAIZSLRS-UHFFFAOYSA-N 425.464 4.316 5 20 IIBD CC[C@H](C[C@H](C)CO)Nc1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1[N+](=O)[O-] 439709463 OKWLTLAMWMYSLR-DLBZAZTESA-N 435.546 4.019 5 20 IIBD CS(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1F)c1ccc(Br)cc1Cl 439717678 GJXJJJBVJAQZJH-UHFFFAOYSA-N 437.674 4.116 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 439875400 DMUAPYGZFHHNKS-LBPRGKRZSA-N 429.408 4.374 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(CCC(F)(F)F)c1 440020886 JRDBHCFGHRLIBG-UHFFFAOYSA-N 425.363 4.066 5 20 IIBD C[C@](O)(CNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)C1CC1 440559824 LRDJFAIQHOGBIE-FQEVSTJZSA-N 429.523 4.247 5 20 IIBD Cc1cc(I)cnc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 440681210 SIQQZRPFFAANPJ-JTQLQIEISA-N 443.266 4.022 5 20 IIBD CSc1ccccc1[C@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 441399146 WYMRDLRAGICGCF-HNAYVOBHSA-N 427.526 4.107 5 20 IIBD CS(=O)(=O)Nc1ccc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])cc1 442257224 MVGULDNCOJHVGU-UHFFFAOYSA-N 443.506 4.370 5 20 IIBD Cn1cc(C(=O)NCCc2cn(C)c3cc(Cl)ccc23)c(-c2ccc([N+](=O)[O-])cc2)n1 444428196 BWOMEKRSJMDTKP-UHFFFAOYSA-N 437.887 4.113 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)C1(c2ccc(Br)cc2)CCCC1 444631360 LHSQMJAVBARSMV-UHFFFAOYSA-N 443.301 4.362 5 20 IIBD O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1sc(Br)cc1[N+](=O)[O-] 444858935 NBNXUFLKITUZQI-LBPRGKRZSA-N 427.276 4.229 5 20 IIBD CCCOc1cc(NC(=O)N2CCC(N3CC=CC3)CC2)c([N+](=O)[O-])cc1OCCC 446020644 OXMOCCFIGPWWPJ-UHFFFAOYSA-N 432.521 4.041 5 20 IIBD O=C(CSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)NCCOc1ccc(Cl)cc1 447026337 HGZIIAUZURDOOZ-UHFFFAOYSA-N 447.900 4.332 5 20 IIBD CCN(Cc1cccc(F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCO1 461056208 LLONLXIHOHXOOU-FQEVSTJZSA-N 425.464 4.198 5 20 IIBD CC(C)c1ccc(-c2noc(CCC(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)n2)cc1 461405332 SRBOWMNBPUOTPO-UHFFFAOYSA-N 436.468 4.122 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1 462499110 HHECQCJXCJOMMQ-QGZVFWFLSA-N 435.484 4.015 5 20 IIBD CC(C)(CNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1c(F)cccc1Cl 464170743 QNMKJVXKLCJHMR-UHFFFAOYSA-N 449.866 4.169 5 20 IIBD O=C(NC1CC1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 464569232 VYVMSAWMMBUNHM-SFHVURJKSA-N 445.928 4.283 5 20 IIBD Cc1ccn2cc(-c3ccc(NC(=O)Cc4cc5c(cc4[N+](=O)[O-])OCCO5)cc3)nc2c1 465051446 BOJURUMDFJHJOO-UHFFFAOYSA-N 444.447 4.170 5 20 IIBD O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465716928 HFFAWXRHECAICU-CVDCTZTESA-N 439.512 4.316 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccc(C(F)(F)F)cc1Cl 467879497 XAFBKUQHLDKCAB-UHFFFAOYSA-N 436.173 4.175 5 20 IIBD COc1ccc(NC(=O)NCCc2ccccc2[N+](=O)[O-])cc1NC(=O)C1CCCCC1 467972561 BTXJIRMZSXXZNR-UHFFFAOYSA-N 440.500 4.486 5 20 IIBD Cc1cc(C(F)(F)F)ccc1CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 468183120 MUQUPSHVDIHHHW-IBGZPJMESA-N 449.429 4.151 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@@H]2N(C)CCCC2(C)C)cc1[N+](=O)[O-])c1ccccn1 468464598 CBQNCNUUNPKXME-KKSFZXQISA-N 425.533 4.013 5 20 IIBD O=C(NC1CC1)c1ccc(CN(Cc2ccco2)c2ncc([N+](=O)[O-])cc2Cl)cc1 470511781 JKTJBQAZYGQJBI-UHFFFAOYSA-N 426.860 4.335 5 20 IIBD CCc1ccc(C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1[N+](=O)[O-] 471298361 YWVNBAYYZRFLHC-UHFFFAOYSA-N 436.295 4.062 5 20 IIBD COc1ccc(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)c(I)c1 471924148 LLCACIGGZWGWLB-UHFFFAOYSA-N 449.204 4.009 5 20 IIBD CCc1ccc(-c2noc([C@H](C)NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)n2)cc1 472664815 GXONBBJJAWLTKY-INIZCTEOSA-N 449.511 4.301 5 20 IIBD COC(=O)COc1ccc(/C=C\c2nc(C(=O)O)c(-c3ccccc3)s2)cc1[N+](=O)[O-] 473500772 XEVJZDDDTUKSFV-NTMALXAHSA-N 440.433 4.139 5 20 IIBD Cc1c(CS(C)(=O)=O)cccc1NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 475210803 KLTKYJKVAXJJJG-UHFFFAOYSA-N 431.392 4.111 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 476365653 OZOFYONRUJPETL-WBVHZDCISA-N 426.256 4.032 5 20 IIBD Cc1nc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)ccc1Br 481368061 YTOMLRKAYPIRMD-UHFFFAOYSA-N 435.278 4.136 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC1CCN(Cc2ccccc2)CC1 485614403 LKALGOFLLCBOOZ-UHFFFAOYSA-N 436.434 4.077 5 20 IIBD CSc1cccc(C(=O)NCc2cccc(C(=O)NCc3ccc(C)cc3)c2)c1[N+](=O)[O-] 485750078 GFMVSDGSZQAXPL-UHFFFAOYSA-N 449.532 4.485 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2nc3ccccc3s2)CC1 486281623 PJTZLWBIMXFEID-UHFFFAOYSA-N 428.539 4.279 5 20 IIBD O=C(NCc1ccnc(-n2cccn2)c1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 486937186 GJFCXDNORCQOIP-UHFFFAOYSA-N 431.477 4.257 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 487411930 LGFWUCFPLFGTAS-QGZVFWFLSA-N 442.541 4.402 5 20 IIBD Cc1ccc([C@H](C)NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)cc1[N+](=O)[O-] 488044900 QXGFABGQMIZELB-HNNXBMFYSA-N 425.872 4.258 5 20 IIBD O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 488973040 BQYBVAKQVMXJGW-QZTJIDSGSA-N 449.467 4.259 5 20 IIBD CCOc1cc2c(cc1OCC)CN([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)CC2 489579139 SGGAJZMHYGSCKM-MRXNPFEDSA-N 427.501 4.086 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(Cc2ccccc2CO)CC1 490367383 AGAWSXIJIRDSLP-UHFFFAOYSA-N 434.945 4.314 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCn2c(nnc2C2CCCC2)C1 492054117 JQCVZESXBJRMLY-UHFFFAOYSA-N 446.511 4.112 5 20 IIBD C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)Cn1ccnc1 495497950 VXGDVEJJTGIOLF-OAHLLOKOSA-N 427.892 4.123 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F 499437792 GFUZTVVMRCREOG-RDBSUJKOSA-N 437.418 4.040 5 20 IIBD Cc1cc(-c2csc(NC(=O)C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)n2)c(C)o1 500254202 QJTSCJBCUNBXQR-UHFFFAOYSA-N 440.481 4.058 5 20 IIBD NC(=O)c1ccc(SCC(=O)N(Cc2ccccc2F)c2ccccc2)c([N+](=O)[O-])c1 500300648 DQAGYXYMSAXDCP-UHFFFAOYSA-N 439.468 4.158 5 20 IIBD Cc1cc(=O)c(C(=O)Nc2cccc(-c3cccs3)c2)nn1-c1ccccc1[N+](=O)[O-] 505909990 QQEQJPXDGAUDGC-UHFFFAOYSA-N 432.461 4.430 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CN3CCN(c4ncnc5sccc45)CC3)cs2)c1 506368332 INERLORAXXJRAU-UHFFFAOYSA-N 438.538 4.045 5 20 IIBD CC[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 506939004 HHOZSOQZQOJXRU-KRWDZBQOSA-N 443.500 4.116 5 20 IIBD O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 509766035 HVJKPXIOEUARRL-UHFFFAOYSA-N 442.357 4.237 5 20 IIBD O=[N+]([O-])c1cccc(N2CCN(Cc3cn(-c4ccccc4)nc3-c3cccnc3)CC2)c1 510537483 IEHFJSHARMUZEE-UHFFFAOYSA-N 440.507 4.165 5 20 IIBD C[C@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCCN(C2CCC2)C1 511284081 CRCAVQIWKHRZJS-LSDHHAIUSA-N 442.482 4.185 5 20 IIBD Cc1ccccc1-n1nc(C)c(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C 511909890 GZOYCFDUGVHMJD-UHFFFAOYSA-N 448.932 4.180 5 20 IIBD COc1cc(C(=O)Nc2ccc(Br)c3cccnc23)c([N+](=O)[O-])cc1OC 511936331 XSFKBVGANJIRQN-UHFFFAOYSA-N 432.230 4.175 5 20 IIBD O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 512170517 SLIOSHRROZYDDN-ZDUSSCGKSA-N 443.301 4.095 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NCc1nc(C(C)C)cs1 512827951 NEIGTUDBJONRCS-UHFFFAOYSA-N 445.282 4.018 5 20 IIBD COc1ccccc1SC[C@H](C)CN[C@H](c1cccc([N+](=O)[O-])c1)c1nccn1C 513656767 XHIHTXXFUPXFCF-IIBYNOLFSA-N 426.542 4.444 5 20 IIBD CC(C)[C@@H](CN[C@H](c1cccc([N+](=O)[O-])c1)c1nccn1C)N1CCc2ccccc2C1 513665716 HGPLFFHQOWKQJN-DNQXCXABSA-N 433.556 4.090 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N[C@H](CO)CC1CCCC1 513940161 MUFZJEDGDKEGTO-NRFANRHFSA-N 448.523 4.047 5 20 IIBD COc1ccc(NC(=O)c2ccc(OCc3cn4cccc(C)c4n3)cc2)c([N+](=O)[O-])c1 514941492 AYTJONKRUANXBV-UHFFFAOYSA-N 432.436 4.391 5 20 IIBD C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc(NC(=O)c2ccccc2)c1 515737794 LVXIDTNFXGSLKV-AWEZNQCLSA-N 443.456 4.026 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)c(OCc2ccccc2)c1 516776434 MGWZVDPOCPPCIR-UHFFFAOYSA-N 440.477 4.138 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CCC[C@@H](c2nc3ccccc3s2)C1 517705086 OFVUTYMOUJBMPU-CYBMUJFWSA-N 434.477 4.478 5 20 IIBD O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 518285596 WZNWISUWEZRTAA-UHFFFAOYSA-N 432.421 4.298 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 519877703 OHMHDMRRDWLJTQ-MRXNPFEDSA-N 426.231 4.284 5 20 IIBD Cc1cccc(OC(F)F)c1NC(=O)c1ccc([N+](=O)[O-])cc1I 522570876 DDAICQVBFVBYSX-UHFFFAOYSA-N 448.163 4.362 5 20 IIBD C[C@H](c1ccccc1)N1CCC(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 522580827 YLJHGQFVGXWNST-MRXNPFEDSA-N 431.920 4.359 5 20 IIBD C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 525131470 MDIUHYORAVGJCO-RKVPGOIHSA-N 437.525 4.281 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1ncc(-c2ccccc2)o1 525174922 MFSWKIGHBBJODX-UHFFFAOYSA-N 428.253 4.035 5 20 IIBD CCOc1cc(C(=O)Nc2cc(Cl)cc(Br)c2O)c([N+](=O)[O-])cc1OC 531134072 MZJOVLVHSKLFJA-UHFFFAOYSA-N 445.653 4.376 5 20 IIBD NS(=O)(=O)c1c(N2CCC(=Cc3cc(Cl)ccc3Cl)CC2)cccc1[N+](=O)[O-] 532421452 HZVWJGKERMURSO-UHFFFAOYSA-N 442.324 4.233 5 20 IIBD COc1ccc(Oc2ccc(CCNC(=O)C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)cc1 533645531 WCFFTBDTQYUXGQ-UHFFFAOYSA-N 449.463 4.002 5 20 IIBD O=C(c1cc(F)ccc1F)C1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 536158727 XLQSFNBXLKXTNV-UHFFFAOYSA-N 427.407 4.018 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 537271781 VKOHYZKVAVWOBM-JLTOFOAXSA-N 435.883 4.209 5 20 IIBD COc1ccc(CN(C(=O)COc2ccccc2[N+](=O)[O-])C2CCCCC2)cc1OC 537702656 YJESTWHDKOITIC-UHFFFAOYSA-N 428.485 4.352 5 20 IIBD COc1ccc(Cc2nnc(Sc3ccc([N+](=O)[O-])c(OC(F)F)c3)o2)cc1OC 537834622 PMEBMKOFUUIIFW-UHFFFAOYSA-N 439.396 4.338 5 20 IIBD CCN(CCC1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1)CC(C)C 539115026 QFHZGDSZTMICPQ-UHFFFAOYSA-N 431.986 4.017 5 20 IIBD CCOc1ccccc1[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)NC(C)=O 541068221 OPHUEJJBDKGMGC-MRXNPFEDSA-N 439.390 4.218 5 20 IIBD CCc1ccc([C@H](NCCNc2nccc(C(F)(F)F)n2)c2ccc([N+](=O)[O-])cc2)o1 542475628 CAZVKKVLUPFFHR-GOSISDBHSA-N 435.406 4.350 5 20 IIBD COc1cc(OCc2nc(CCc3ccccc3Br)no2)ccc1[N+](=O)[O-] 547161557 IPVNIQRKLKQXJA-UHFFFAOYSA-N 434.246 4.113 5 20 IIBD COCCn1c(SCc2cc([N+](=O)[O-])ccc2C(F)(F)F)nnc1-c1ccncc1 549012948 VPEYKGIFNGYHAH-UHFFFAOYSA-N 439.419 4.206 5 20 IIBD Cc1ccc([C@@H](NCc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H](C)S(C)(=O)=O)cc1 549674264 MZKNXVRGQONHKI-UGSOOPFHSA-N 430.448 4.186 5 20 IIBD O=C(c1ccc(-c2cccc3cccnc23)cc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 552534986 QDXLHRUFEBVYHN-UHFFFAOYSA-N 427.464 4.484 5 20 IIBD O=C1CCC(=O)N1c1ccc(-c2nc(Cc3cccc4ccccc34)no2)cc1[N+](=O)[O-] 554792335 CYHZDHQAYBXIDH-UHFFFAOYSA-N 428.404 4.042 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N[C@@H](C)c2c(F)cncc2F)c([N+](=O)[O-])c1 557754336 WRUPUSWKHMQTAE-LBPRGKRZSA-N 441.390 4.459 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc(Cc2cc3c(cc2Br)OCCO3)n1 558336799 UUPIOKRFAWOTKI-UHFFFAOYSA-N 432.230 4.078 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NC[C@@H](Cc1ccccc1)C(F)(F)F 562225630 XOFOCRTXKNYNOH-OAHLLOKOSA-N 433.386 4.059 5 20 IIBD Cc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)nc(N2CCCC2)n1 565413970 QWWLXUHJDVXRMX-UHFFFAOYSA-N 433.468 4.016 5 20 IIBD Cc1c(C[S@](C)=O)cccc1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 566929035 KFXNTVYOPBMLCP-VWLOTQADSA-N 425.304 4.105 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(-c2ccnc(OCC(F)F)c2)no1 568096976 JYIPPTMKAYHSNJ-UHFFFAOYSA-N 441.188 4.422 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCc3ccc4cnn(C)c4c3)cc2[N+](=O)[O-])n1 577996063 XGLKZLSDYRWUKN-UHFFFAOYSA-N 439.522 4.328 5 20 IIBD Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] 582397113 NCPDXMXDISIQDV-UHFFFAOYSA-N 443.301 4.214 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 584458370 LKOPMAMCEUPMSI-UHFFFAOYSA-N 441.285 4.472 5 20 IIBD C[C@H](Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)c1ccc(Oc2ccccc2)c(F)c1 600848687 IOJHZSYZPXJSIN-ZDUSSCGKSA-N 431.445 4.347 5 20 IIBD CC(C)(C)c1noc(CCCC(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)n1 603742473 XWXQMPRVVKOHBN-UHFFFAOYSA-N 428.411 4.189 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@@H](C)c3ccc4nc(O)[nH]c4c3)cc2[N+](=O)[O-])C1 603918844 UDWCTBFILNRYNB-ZNMIVQPWSA-N 437.500 4.150 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@@H]1c1cccc2c1OCCO2 608969585 DTYNEAFNGHRSRL-GOSISDBHSA-N 437.477 4.467 5 20 IIBD COc1ccc(CC(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1[N+](=O)[O-] 609011349 RCXQTTOHQPLIIF-FQEVSTJZSA-N 448.454 4.192 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(CC(=O)Nc2ccccc2F)cc1 609064470 XSKYYVNNRRYBOP-UHFFFAOYSA-N 436.443 4.356 5 20 IIBD Cc1c(NC(=O)[C@H](C)N2CCC(c3nc(-c4ccccc4)no3)CC2)cccc1[N+](=O)[O-] 609146107 ASBFWEFWLWVBBO-INIZCTEOSA-N 435.484 4.160 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 609198142 VVZKKFJTPGTQQR-NSHDSACASA-N 439.465 4.344 5 20 IIBD COCCc1ccc(Oc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 609379881 QLZWHHDWGDILJN-UHFFFAOYSA-N 428.466 4.377 5 20 IIBD C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 609855396 NEGPJTKGQSMKDM-QLVMHMETSA-N 443.525 4.189 5 20 IIBD O=C(c1ccc(Cl)c(I)c1)N1CCc2c1cccc2[N+](=O)[O-] 609973595 XZFGPRGNTUVERJ-UHFFFAOYSA-N 428.613 4.056 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cnn(-c2ccc(C)cc2)c1C(C)C 619468286 OTFYDWLQGSMZSC-UHFFFAOYSA-N 430.486 4.022 5 20 IIBD CC(=O)Nc1cc(Cl)ccc1C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 727528855 IVVWIIUXDRHDFZ-SECBINFHSA-N 440.239 4.044 5 20 IIBD Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 727994316 OBKYSEYSBYDAPD-HXUWFJFHSA-N 430.468 4.014 5 20 IIBD Cc1cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])c(F)c2)c(C)n1CCc1cccs1 728155744 YLCDQJJJLXFKCS-UHFFFAOYSA-N 430.457 4.496 5 20 IIBD C[C@@H](OC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 729779918 HJPPKNLQNDEUES-GFCCVEGCSA-N 429.816 4.016 5 20 IIBD CC(=O)N(c1ccc(F)cc1)c1nc(COC(=O)c2ccc([N+](=O)[O-])c(F)c2)cs1 731519021 ONYGIEUTRSQCQX-UHFFFAOYSA-N 433.392 4.371 5 20 IIBD COc1ccccc1NCC(=O)O[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 735933134 JMFXKRDYRLSTRZ-HSZRJFAPSA-N 449.463 4.247 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCC[C@@H](C)[C@H]1c1ccc(C)cc1 737981330 WHBISUCPAHXWLM-MWTRTKDXSA-N 426.469 4.103 5 20 IIBD CC(C)(C)c1ccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 740423067 WZRFKAGTPVONOJ-UHFFFAOYSA-N 435.274 4.450 5 20 IIBD COCC[C@@H](Cc1cccc(Br)c1)C(=O)Oc1cc([N+](=O)[O-])ccc1OC 741174330 MIMFETOZGRGXHP-AWEZNQCLSA-N 438.274 4.167 5 20 IIBD COc1ccc(Cl)cc1C[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 741257392 JUJDCPINRJKHCQ-ZDUSSCGKSA-N 442.896 4.039 5 20 IIBD COc1cccc(O[C@@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c1 742018403 NALGVOZCSJIBQX-KRWDZBQOSA-N 427.501 4.037 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 742624353 NDELHSXWMHYKBM-FQEVSTJZSA-N 446.548 4.035 5 20 IIBD C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 742626177 ULTIFEALUZFJKR-LPHOPBHVSA-N 446.548 4.033 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)cc1 742892213 LNCOIOBSEASYTK-ZDUSSCGKSA-N 433.436 4.337 5 20 IIBD Cc1ccc(N2CCOC2=O)cc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 743780445 VJDQHWJHLNTFTN-UHFFFAOYSA-N 427.460 4.058 5 20 IIBD CCOc1cccc2cc([C@@H](C)Nc3ccc([N+](=O)[O-])cc3S(=O)(=O)N(C)OC)oc12 748272221 LRJIDNDNAFUGQP-CYBMUJFWSA-N 449.485 4.095 5 20 IIBD CCNc1ccc(C(=O)Nc2cc3c(cc2NC(=O)OC(C)(C)C)OCO3)cc1[N+](=O)[O-] 750225027 GNCCEFAAWRAUAH-UHFFFAOYSA-N 444.444 4.355 5 20 IIBD COc1ccc([C@H](C)CC(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 750544369 WCEDEKGZAZEIJW-GFCCVEGCSA-N 440.374 4.298 5 20 IIBD O=C(NCc1ccnc(Oc2ccccc2)c1)c1cc([N+](=O)[O-])ccc1Br 751089466 VXNRIGHIGDTFRM-UHFFFAOYSA-N 428.242 4.475 5 20 IIBD COc1cccc(CN2C(=O)N[C@H](c3ccc([N+](=O)[O-])cc3)C(C(=O)OC(C)C)=C2C)c1 751260330 KMBFERUGWSCDFU-OAQYLSRUSA-N 439.468 4.096 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)Nc1cc(Cl)ccc1F 751690647 ORSIFXFRNITWLF-UHFFFAOYSA-N 449.591 4.084 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCS(=O)(=O)C2(CCCCC2)C1 754024486 LPRGVNFOTNWIIO-UHFFFAOYSA-N 426.844 4.205 5 20 IIBD Cc1noc(C)c1[C@H](C)CC(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 754294029 XZQUZXATGAAJPU-SKDRFNHKSA-N 443.378 4.282 5 20 IIBD C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c2ccccc2S1 755980232 WDMYXFZQKBBJGY-SNVBAGLBSA-N 429.317 4.047 5 20 IIBD O=C1OCCN1c1cccc(-c2noc(-c3cc(Br)cc([N+](=O)[O-])c3)n2)c1 762198334 VQUGVMBUOWOFMV-UHFFFAOYSA-N 431.202 4.031 5 20 IIBD COc1cc(Cc2noc(-c3csc(COc4ccc(F)cc4)n3)n2)ccc1[N+](=O)[O-] 762306843 DNIYRDTZJCLOPL-UHFFFAOYSA-N 442.428 4.419 5 20 IIBD C[C@H](C(=O)OCc1csc(CC(=O)Nc2ccccc2)n1)c1cccc([N+](=O)[O-])c1 763419720 ALQQKSFHBWSMFT-AWEZNQCLSA-N 425.466 4.079 5 20 IIBD CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C(=O)c1cc(F)c([N+](=O)[O-])cc1F 763466185 FLWXDYITBFPKRR-UHFFFAOYSA-N 447.438 4.491 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1ccc(C)cc1Cl 763810188 JRIPQGQCTNDWKO-UHFFFAOYSA-N 438.889 4.091 5 20 IIBD C[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](O)c1c(F)cccc1Cl 765203659 XHBKDFIXAIVVPQ-MLCYQJTMSA-N 431.247 4.048 5 20 IIBD C[C@H](c1ccccn1)N(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(N(C)C)cc1 766588224 UVLYTKHQAHYBMH-OAHLLOKOSA-N 435.440 4.372 5 20 IIBD O=C(NOCC(F)(F)F)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 766770683 APICGYMDZDMJSV-UHFFFAOYSA-N 437.418 4.278 5 20 IIBD COc1ccc(-c2n[nH]cc2C(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])cc1 766887401 CZMSZFAPULDLNB-JOCHJYFZSA-N 430.420 4.335 5 20 IIBD C[C@H](C(=O)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc(Br)cc1 767002737 KTOCRAJGJGKZMN-LBPRGKRZSA-N 449.257 4.002 5 20 IIBD O=C(O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 767074466 PAGQMMHBMCOERM-UHFFFAOYSA-N 439.811 4.451 5 20 IIBD CC[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H](O)c1c(F)cccc1F 771702457 UESOOTIFDRXRKJ-YJBOKZPZSA-N 433.436 4.239 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)C1(Cc2cccc(F)c2)CCC1 775069711 XXVAJLLDJJRCIF-AWEZNQCLSA-N 430.432 4.026 5 20 IIBD O=[N+]([O-])c1cccc(NS(=O)(=O)c2c(Cl)cccc2Cl)c1Br 775209800 ZSWFYCWGXPGFMW-UHFFFAOYSA-N 426.075 4.465 5 20 IIBD CN(C(=O)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 775496060 PSFPMVXVCADJRT-LSDHHAIUSA-N 446.529 4.375 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cc(Cl)cc3cccnc23)c(Br)c1 776791703 SQHVDMZKBMHWJW-UHFFFAOYSA-N 443.662 4.327 5 20 IIBD COC(=O)C[C@@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 778144147 QDRGNDYWFUSCHL-OAHLLOKOSA-N 446.328 4.126 5 20 IIBD O=C(CCOc1ccc2ccccc2c1)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 780329338 MMKAORRZKUFIKY-UHFFFAOYSA-N 442.855 4.144 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 780680219 IUBQFJSZHSXZHY-GFCCVEGCSA-N 444.435 4.107 5 20 IIBD NC(=O)c1cc(N2CCCCC2)ccc1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 780977159 IPAHOAUNEFBSBQ-UHFFFAOYSA-N 440.503 4.023 5 20 IIBD Cc1ccc(NC(=O)COC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c(Cl)c1 783950643 ILAWDTDMEQVFOS-UHFFFAOYSA-N 429.281 4.484 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCc1nc(-c2ccccc2F)cs1 787846992 LTTWXXUXNZEMFA-UHFFFAOYSA-N 430.417 4.015 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)Oc2ccc(Oc3ncc(Br)cn3)cc2)c1 789726779 JJBDQAUBBHLCBY-UHFFFAOYSA-N 446.213 4.167 5 20 IIBD CCN(C(=O)c1cc([N+](=O)[O-])cc(C)c1F)c1ccc(S(=O)(=O)C(F)(F)F)cc1 790384347 LHDDUCXEOCQJNE-UHFFFAOYSA-N 434.367 4.003 5 20 IIBD CC(C)(CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)c1cccs1 790731969 BXUBYSUGAHPWLT-UHFFFAOYSA-N 438.347 4.464 5 20 IIBD Cc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)n(C)n1 791158913 RWWYWGCXGHYYBK-UHFFFAOYSA-N 447.539 4.026 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 799235361 XMRKFWNEBGAUPS-GDBMZVCRSA-N 436.509 4.151 5 20 IIBD COCc1nc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c(-c2ccccc2)s1 799594933 RPKOROAREDAEAM-ZDUSSCGKSA-N 441.465 4.049 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 799616293 GTVMRFINVFEEKM-OAHLLOKOSA-N 443.525 4.485 5 20 IIBD COc1ccc(COCc2cccc(NC(=O)c3cc([N+](=O)[O-])c(F)cc3N)c2)cc1 801845338 MDEWUQSSZXBYLU-UHFFFAOYSA-N 425.416 4.294 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3ccnc(C(F)(F)F)c3)CC2)ccc1[N+](=O)[O-] 808988801 VYCHEWRUWJFRKB-UHFFFAOYSA-N 439.390 4.233 5 20 IIBD O=C(c1ccccc1)N1CCCC[C@@H]1c1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 809434267 VKAQKVVTSNECPI-HXUWFJFHSA-N 431.452 4.417 5 20 IIBD CC(C)(C)OC(=O)N1CCCc2c(-c3nc(Cc4ccc([N+](=O)[O-])cn4)no3)cccc21 809436647 IUQOEGCIIZUBEY-UHFFFAOYSA-N 437.456 4.318 5 20 IIBD CCC[C@@H](C(=O)OCc1cc(I)cc([N+](=O)[O-])c1)c1ccccn1 811036828 GLFTTXNPZSGVDD-OAHLLOKOSA-N 440.237 4.222 5 20 IIBD COCCn1c(Cc2c[nH]c3ccccc23)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 812150752 ZQSZGVGQXZKELQ-UHFFFAOYSA-N 446.511 4.074 5 20 IIBD CC(C)(CCc1noc(-c2ccc(NC(=O)c3ccc(Br)o3)cc2)n1)[N+](=O)[O-] 812814352 VOIJZXIJNYDYFY-UHFFFAOYSA-N 449.261 4.332 5 20 IIBD C[C@H](C(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccc([N+](=O)[O-])cc1F 814341478 RQRCMMZYOUFHGA-HNNXBMFYSA-N 435.496 4.087 5 20 IIBD CCc1nc(C(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)nn1-c1ccccc1F 815212865 CQHHPVLYLXAMNL-UHFFFAOYSA-N 438.337 4.253 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)c1ccc(C(F)(F)F)nc1Cl 817875778 YHODLWOJYAGVPS-QMMMGPOBSA-N 434.777 4.358 5 20 IIBD O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1cc([N+](=O)[O-])ccc1N1CCCC1 861986335 NUYNHCVFLPHVCW-UHFFFAOYSA-N 446.511 4.432 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N(C2CC2)[C@H](C)C(C)C)cc1 914778308 NBQJUYXHNQZRCM-MRXNPFEDSA-N 446.525 4.320 5 20 IIBD CCn1c(SC[C@H](O)c2cc(OC)ccc2OC)nc2cc3ccccc3cc2c1=O 915058891 XDPFWKXNLCDJLW-NRFANRHFSA-N 436.533 4.413 5 20 IIBD Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)cc12 915283566 UBJNGUUVJUDSRB-UHFFFAOYSA-N 439.378 4.491 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)OCCOC(c1ccccc1)c1ccccc1 915522624 SJWBHUPHUATJKQ-UHFFFAOYSA-N 431.448 4.294 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Oc2cccc(NC(=O)c3ccccc3)c2)cc1OC 916421314 CZXBXIMYTLRZNV-UHFFFAOYSA-N 436.420 4.474 5 20 IIBD COc1cc(COC(=O)c2ccc(-n3cc(C)cn3)cc2)c([N+](=O)[O-])cc1OC(F)F 917288064 OMBIGSJPYINZFR-UHFFFAOYSA-N 433.367 4.056 5 20 IIBD Cc1cccc(C(C)C)c1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 919227875 RSHYHTAUWBYIAK-AWEZNQCLSA-N 429.429 4.427 5 20 IIBD CSCC[C@H](NC(=O)c1ccco1)C(=O)Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-] 920330389 BQCZAJMCDGKMRR-KRWDZBQOSA-N 440.477 4.312 5 20 IIBD C[C@H](OC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1 920779111 PRKLSKBXOBDLTJ-WDEREUQCSA-N 427.240 4.239 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(-c2nnn(-c3cccc4ncccc34)c2C)n1 1116612219 HWXQYPMPZXYZGX-UHFFFAOYSA-N 427.424 4.366 5 20 IIBD COc1cc(Br)cc(CO)c1OCc1ccc(Br)c([N+](=O)[O-])c1 1117733419 JSDLXQBUPSFQFW-UHFFFAOYSA-N 447.079 4.200 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)NCCSc2ncc(C(F)(F)F)cc2Cl)c1 1121177802 BVNIUKUTMFAZFW-UHFFFAOYSA-N 435.811 4.193 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccnn3Cc3ccsc3)cc2)c(C)c1[N+](=O)[O-] 1317719847 RPJDVDZINXXGED-UHFFFAOYSA-N 436.497 4.015 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCCCc2nc(C)cs2)c([N+](=O)[O-])c1 1318219342 WRQLLLUMSCVYBG-UHFFFAOYSA-N 439.493 4.422 5 20 IIBD Cc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c2c1[C@@H](C)CC2=O 1319558052 MGVMTMCXOQTCEL-JTQLQIEISA-N 440.271 4.123 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)C2)CC1 1320833147 DESPBLMGPAAYMO-UHFFFAOYSA-N 442.516 4.329 5 20 IIBD Cc1onc(-c2cccc(Cl)c2)c1C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1321106882 QLKOSQOJSCEYGV-UHFFFAOYSA-N 440.887 4.170 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)o1 1337032477 BAPJTWZVVTUYPB-CQSZACIVSA-N 427.892 4.426 5 20 IIBD Cc1ccnc(Oc2ccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3N)cc2)n1 1340050712 LCAHZNDEMPCGBI-UHFFFAOYSA-N 444.245 4.083 5 20 IIBD Cc1ccc(-c2nnc(N3CCc4ccc([N+](=O)[O-])cc4C3)n2C[C@H]2CCCCO2)cc1 1345101431 WUHPOFKBTSZQRQ-JOCHJYFZSA-N 433.512 4.294 5 20 IIBD COc1ccc(NC(=O)N2CCc3[nH]c4c(Br)cccc4c3C2)c([N+](=O)[O-])c1 1526862242 CIIRLOSUOIGHPH-UHFFFAOYSA-N 445.273 4.437 5 20 IIBD CCCCC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(N(C)C)ccc1[N+](=O)[O-] 1799239348 TYJXGJYNIHRJQK-XEYPJELSSA-N 444.576 4.129 5 20 IIBD C[C@@H]1CCC[C@H]1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)[nH]n1 1818959599 XYRORBUSOJBTHG-ZXYWRSMDSA-N 443.479 4.199 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)[nH]n1)c1ccc2ccoc2c1 1821456599 DWHITBUPDAWSTP-QGZVFWFLSA-N 448.439 4.012 5 20 IIBD Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CC3CCCC3)CC2)ncc1[N+](=O)[O-] 1826261180 SYQDRHZXZSWKBK-OAQYLSRUSA-N 442.560 4.112 5 20 IIBD CC[C@@H](C)[C@@H](C(=O)N1CC2(CCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)C1)c1ccccc1 1841002915 NUISJMLUNZYFOE-NTKDMRAZSA-N 449.551 4.171 5 20 IIBD CC1(C)CC(C(=O)N2CCCC23CN(C(=O)c2cc4cc([N+](=O)[O-])ccc4s2)C3)C1 1846419474 RIWQEAYRKAGTJL-UHFFFAOYSA-N 427.526 4.063 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccccc2C(=O)c2ccccc2)c([N+](=O)[O-])c1 15643559 JYAIAVLMNKICJS-HNNXBMFYSA-N 448.431 4.018 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3ccc(C(=O)c4nccn4C)cc3)cc2[N+](=O)[O-])CC1 23270097 NREPWVTWZMMYKE-UHFFFAOYSA-N 447.495 4.048 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cnc2ccccc2c1C(F)(F)F 25985598 GZLVQSXAWVIEOI-UHFFFAOYSA-N 433.342 4.266 5 20 IIBD Cc1c(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cnn1-c1ccccc1F 26485870 BAAIRCOGCRYRGN-LBPRGKRZSA-N 446.822 4.065 5 20 IIBD Cn1c([C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])c2ccccc2)nc2ccccc21 58700022 XNURTWZSIQOIRY-HSZRJFAPSA-N 430.464 4.156 5 20 IIBD CC(C)c1c(C(=O)NCCc2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(C(F)(F)F)cn1 65123950 CAKKKUXIILNQKD-UHFFFAOYSA-N 447.417 4.290 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCC2(c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] 72091273 SNYXZQUWHULOAY-HXUWFJFHSA-N 441.915 4.009 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC(Oc2ccc(F)cc2F)CC1 195640737 ANKUFIOUKGFWIO-UHFFFAOYSA-N 431.439 4.157 5 20 IIBD Cc1cccc(NC(=O)COc2ccc(CCNC(=O)c3cc(C)cc([N+](=O)[O-])c3)cc2)c1 195692853 GBJZDPJUYBJICY-UHFFFAOYSA-N 447.491 4.202 5 20 IIBD COc1ccc(-c2ccc(CNC(C)(C)c3cn(-c4ccccc4)nn3)o2)c([N+](=O)[O-])c1 237414408 PUKCOSSCVNFZLA-UHFFFAOYSA-N 433.468 4.469 5 20 IIBD Cc1cc(C)cc(-c2nnc(SCCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)o2)c1 261405577 ATZITZINRJNOPW-UHFFFAOYSA-N 426.454 4.352 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N[C@H]1CCN(c2ccc(Br)cc2)C1 301408830 NTBSOJIYVGMXJR-AWEZNQCLSA-N 447.289 4.005 5 20 IIBD C[C@@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)Oc1ccccc1Cl 301447854 KKVPMZIWSGJOMS-LBPRGKRZSA-N 435.267 4.327 5 20 IIBD O=[N+]([O-])c1cnc(N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c(Br)c1 301520514 GRRXJIDRQUOBCF-GFCCVEGCSA-N 448.252 4.325 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N3CCOC4(CCCC4)C3)c([N+](=O)[O-])c2)c(C)c1 301656509 AZLWIEBWQWCIOJ-UHFFFAOYSA-N 445.541 4.162 5 20 IIBD NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 302137375 DKXXZZDVUWJKRV-HIFRSBDPSA-N 429.420 4.009 5 20 IIBD C[C@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)Sc1ccc(Br)cc1 302674453 TVEXPJYHNRQZSW-LLVKDONJSA-N 445.360 4.354 5 20 IIBD COc1cc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc(OC)c1Br 303755951 DAQAOAQDTXAUFU-UHFFFAOYSA-N 437.290 4.127 5 20 IIBD COc1cccc(C2(F)CCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])CC2)c1 410241995 SLYONRCBQIKSEY-UHFFFAOYSA-N 437.265 4.467 5 20 IIBD CCc1cc(N2CCC(OC[C@H]3CCCCO3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 426355990 GFMBJLXSAMRSOZ-OAQYLSRUSA-N 426.517 4.169 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@H](COC)c2ccco2)c([N+](=O)[O-])c1 426907407 QOICZGFLZBFGNH-LJQANCHMSA-N 445.497 4.203 5 20 IIBD CCN(C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 426948731 PHKCXOVDRIPRTI-KRWDZBQOSA-N 437.500 4.260 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)ccc1C 427273433 MDNDOICEHIEMCC-HUUCEWRRSA-N 425.485 4.282 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 428931552 HZFDJVRHFPNUGL-KBXCAEBGSA-N 437.418 4.323 5 20 IIBD Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 431180032 OHMJCWINDGLCHU-UHFFFAOYSA-N 442.541 4.149 5 20 IIBD O=C(N[C@@H]1CCCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1)c1cc2ccccc2o1 436409589 NDZBRNWAXFBQFM-CYBMUJFWSA-N 434.374 4.154 5 20 IIBD O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1O 436961562 BNFUSTKAZZMFAZ-INIZCTEOSA-N 438.267 4.241 5 20 IIBD COc1cc(Oc2ccccc2)ccc1NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 438199824 GSMPQEBBGJNSRN-HNNXBMFYSA-N 435.436 4.153 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 438651144 UISAAXHZUPXPCX-UHFFFAOYSA-N 438.484 4.409 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl 439736913 SJWWVCFROQFPOP-LLVKDONJSA-N 440.283 4.159 5 20 IIBD O=C(c1cccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)n1)N1CCCC1 440611753 HQPZLZJAEPHNIM-UHFFFAOYSA-N 430.464 4.073 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC1(N[C@H](C)c2ccccc2)CCOCC1 443951110 WYYQVYZYWGZASI-GOSISDBHSA-N 426.517 4.233 5 20 IIBD Cc1ccc(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c(OC[C@@H]2CCCO2)c1 444228025 PYFTXIDEFIFJDH-FQEVSTJZSA-N 442.515 4.478 5 20 IIBD CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)[C@@H]2CCCC[C@@H]12 444670516 YFZWOYVXCAUJAD-GOCLMVQVSA-N 427.549 4.155 5 20 IIBD CCOc1ccccc1NC(=O)Cc1noc([C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n1 445350186 KEOCCVMLHRCOPF-LBPRGKRZSA-N 446.847 4.351 5 20 IIBD CC[C@H](C)NC(=O)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c(C)c1 445919590 LBTUDZHKCIZZDP-ZDUSSCGKSA-N 448.317 4.375 5 20 IIBD CCOc1cc(C(=O)NCc2ccc(C)cc2OCC(F)(F)F)c([N+](=O)[O-])cc1OC 446336258 GBNNKJIEQFGCTJ-UHFFFAOYSA-N 442.390 4.182 5 20 IIBD O=C(C[C@@H]1CCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(F)cc1 448440321 ZDQZPOPEVBDYOX-IBGZPJMESA-N 425.460 4.212 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(Cc1cccc(OC)c1)C[C@H]1CCCO1 460202815 BGDNYJZOHKRLOJ-OAQYLSRUSA-N 437.500 4.067 5 20 IIBD CCN(CCOc1ccc(Br)cc1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 461193040 RYHOTZMNPOMUJS-UHFFFAOYSA-N 432.274 4.380 5 20 IIBD CO[C@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1cccc(Cl)c1 462666650 MODPPDSCWZYJGR-CQSZACIVSA-N 439.704 4.221 5 20 IIBD CCc1cnc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)s1 464091196 IUGKKTCNAXXZRM-UHFFFAOYSA-N 428.436 4.488 5 20 IIBD Cc1sc(S(=O)(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)cc1[N+](=O)[O-] 466956392 URZPSUWAGMESHV-UHFFFAOYSA-N 443.934 4.045 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCO[C@H](c2cccc(Cl)c2)C1 468979558 LZCFGYHCXBNDCS-QHCPKHFHSA-N 432.907 4.408 5 20 IIBD COc1ccc(CNC(=O)C(=O)Nc2cccc(CCCc3ccccc3)c2)cc1[N+](=O)[O-] 473224709 GXLUCOAVLSGTPV-UHFFFAOYSA-N 447.491 4.034 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 475635756 RHNICSHECSOBRF-ROUUACIJSA-N 426.517 4.143 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)c1ccc(Br)cn1 477806916 QUSKUHUZPWOCFT-UWVGGRQHSA-N 428.670 4.050 5 20 IIBD COc1cc(C(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@H](C)C2)cc([N+](=O)[O-])c1C 478679071 QIKHYSYXTKGULI-GJZGRUSLSA-N 425.485 4.282 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2Cc2nc(Cc3cncs3)no2)cc1 482745082 LWOWGHCVYPNHMT-UHFFFAOYSA-N 444.476 4.469 5 20 IIBD Cc1c(NC(=O)NCCCOC2CCN(Cc3ccccc3)CC2)cccc1[N+](=O)[O-] 483857981 LPRHBOLVPRKHPE-UHFFFAOYSA-N 426.517 4.096 5 20 IIBD O=C(N[C@H]1CCCc2c[nH]nc21)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 484740828 XQUKSIIEDOBINS-SFHVURJKSA-N 425.876 4.391 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(CCc3ccccc3C)[nH]n2)cc1SC 484844952 DBIXGIJNNATVOP-UHFFFAOYSA-N 426.498 4.394 5 20 IIBD CN(C(=O)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1)c1ccccc1 485404120 DXJNPUWRAKNMQH-LJQANCHMSA-N 432.480 4.058 5 20 IIBD Cc1cccc(C(=O)N2CCCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)CC2)c1 485409147 RLMJTHAVKFAPLA-UHFFFAOYSA-N 434.471 4.457 5 20 IIBD CC[C@@H](NC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1)c1cc(F)cc(Br)c1 485671049 MYKLIGMYZRXLSB-CQSZACIVSA-N 441.253 4.395 5 20 IIBD Cc1ccnc(-n2nccc2NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 486330167 SIVREPJDTMOLDS-UHFFFAOYSA-N 429.436 4.315 5 20 IIBD COC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 486460103 NNKRMNDZXNIVOJ-CVDCTZTESA-N 426.469 4.026 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(F)ccc2OCC2CC2)ccc1[N+](=O)[O-] 486847191 QFIDVOCOSBFVFZ-HXUWFJFHSA-N 441.459 4.074 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N2CCSC[C@@H](C)C2)cc1[N+](=O)[O-] 489526654 UXCCSIUHDMCZGC-AWEZNQCLSA-N 430.551 4.373 5 20 IIBD O=C(Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cn1)c1ccccc1 489909440 QEUAHJJLMSXPTL-UHFFFAOYSA-N 428.351 4.096 5 20 IIBD COc1c(F)cc(S(=O)(=O)N(C2CC2)[C@H](C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 490658071 ULGQXYRIKSHTEL-LLVKDONJSA-N 428.869 4.310 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2c(Cl)cccc2[N+](=O)[O-])cc1 493378670 BOWFEHQLUBEYIU-AWEZNQCLSA-N 425.938 4.130 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N[C@H]3CCOC4(CCOCC4)C3)c([N+](=O)[O-])c2)cc1 493892649 XWBXYFXSORFPOZ-IBGZPJMESA-N 425.485 4.296 5 20 IIBD Cc1cc(-c2csc(NC(=O)C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)n2)c(C)o1 499057592 RCCJDJMLMULDPZ-UHFFFAOYSA-N 442.497 4.006 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCO[C@@H](c2cccc(Br)c2)C1 500656201 JRMGSGVWHHCNND-LJQANCHMSA-N 448.317 4.068 5 20 IIBD CCOc1cc(N2CCOC[C@H]2c2c(C)nn(Cc3ccccc3)c2C)ccc1[N+](=O)[O-] 500870126 RFBFMDMSHNCGLY-QFIPXVFZSA-N 436.512 4.433 5 20 IIBD CCCOc1cc(NC(=O)C(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)c([N+](=O)[O-])cc1OCCC 503389964 ORYYDARGGZCSPJ-BZUAXINKSA-N 435.521 4.052 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cccc(OCCc3ccccc3)c2)cc1[N+](=O)[O-] 505623172 VRWKONVBKRURET-SFHVURJKSA-N 447.491 4.341 5 20 IIBD O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 506495646 QJDGZBOVEFLEPT-UHFFFAOYSA-N 438.267 4.098 5 20 IIBD Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 507939231 ICKGDPOOEHNFRL-KRWDZBQOSA-N 434.283 4.275 5 20 IIBD Cc1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c(OC[C@H]2CCCO2)c1 508012179 IGELIJYEZPRRKI-LJQANCHMSA-N 439.512 4.316 5 20 IIBD O=C([C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1CC=C(c2ccccc2Cl)CC1 509822986 ZGIZYJYYHRBVEP-KRWDZBQOSA-N 445.928 4.230 5 20 IIBD Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCCc4ccc([N+](=O)[O-])cc43)c12 509981437 HLVYBEXCLFARLI-UHFFFAOYSA-N 427.464 4.445 5 20 IIBD COc1ccc(NC(=O)CN[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)c([N+](=O)[O-])c1 510469008 BRIZAFMVLZTVAB-MRXNPFEDSA-N 449.332 4.037 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](c1c[nH]c2ccccc12)C(F)(F)F 513148833 IGJDYTFFHXBHMO-LJQANCHMSA-N 436.390 4.307 5 20 IIBD O=C(NCCc1nc(-c2cccc(Cl)c2)no1)c1cc2cc([N+](=O)[O-])ccc2s1 513250945 YOIIAAMRCQCAMI-UHFFFAOYSA-N 428.857 4.485 5 20 IIBD CCN(CC)CCOc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 515502086 UHLUKZHZYQKCPQ-UHFFFAOYSA-N 426.517 4.168 5 20 IIBD C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F 516344289 KDFVPBRNSQZQEO-SECBINFHSA-N 430.820 4.033 5 20 IIBD COc1cc(CNCCN2c3ccccc3C[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F 518785205 RNLHTPWXFZICET-AWEZNQCLSA-N 439.434 4.085 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1[N+](=O)[O-] 518854308 HHUARGKGFNJECA-UHFFFAOYSA-N 436.449 4.421 5 20 IIBD COc1ccc(COCc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 519120521 BQSQWAQWLCAGQJ-UHFFFAOYSA-N 428.466 4.121 5 20 IIBD C[C@H]1CCC[C@H](OCc2cccc(NC(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)c2)C1 520145293 HKCSSOMKQJUWOM-YWZLYKJASA-N 446.525 4.346 5 20 IIBD CN(Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 520497847 IBGSDGKNJKXMFX-UHFFFAOYSA-N 435.446 4.279 5 20 IIBD O=C(Nc1ccccc1)c1cc(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])ccc1Cl 522363939 ARPUYTFQWCBZRC-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD CC(C)C(=O)NC[C@H]1CCCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 522708907 OPAWFTXBHTUTPJ-QGZVFWFLSA-N 440.500 4.403 5 20 IIBD COC(=O)c1ccc(N2CCCC2)c(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1 523556628 FYKRRXKHQVJJKC-UHFFFAOYSA-N 440.500 4.126 5 20 IIBD O=c1c2ccccc2nc(SCCn2cc([N+](=O)[O-])cn2)n1CCC1=CCCCC1 525086075 VWHOSEUSQZPFNG-UHFFFAOYSA-N 425.514 4.184 5 20 IIBD COC(=O)c1ccc(Br)c(C)c1NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 525286456 BIMIARCMKVONFF-UHFFFAOYSA-N 439.287 4.427 5 20 IIBD Cn1c([C@@H]2CCCN2C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])nc2ccccc21 531576617 JWUGMKKQAKRLQR-SFHVURJKSA-N 448.401 4.400 5 20 IIBD Cc1ccc(C(N)=O)cc1NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 532890333 PWSWVVCWAKVLJB-UHFFFAOYSA-N 427.464 4.467 5 20 IIBD O=C(CSc1cccs1)Nc1ccc(C(=O)NCCc2cccc([N+](=O)[O-])c2)cc1 533994583 AGOLTDWSSLTLNQ-UHFFFAOYSA-N 441.534 4.360 5 20 IIBD CN1CCC(N(C)[C@@H]2CCCC[C@H]2N(C)C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 534361469 ZONWTAIXLJGMPT-FGZHOGPDSA-N 444.620 4.302 5 20 IIBD O=C(Nc1cc(Br)ccc1O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 534700363 LTRJLCQQXGIKOI-UHFFFAOYSA-N 435.152 4.256 5 20 IIBD COc1cc(CNc2ccccc2O[C@@H]2CCOC2)c([N+](=O)[O-])cc1OCC(F)(F)F 535835781 OQVDGENCMRZOJU-CQSZACIVSA-N 442.390 4.324 5 20 IIBD CO[C@H](c1ccccc1F)[C@H](C)NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 537200178 GDYGTJQAWAARFO-BTYIYWSLSA-N 431.464 4.063 5 20 IIBD CC(C)c1[nH]nc(C(=O)Nc2ccc(CN(C[C@@H]3CCCCO3)C(C)C)cc2)c1[N+](=O)[O-] 539320087 HDZTWHZJVSIFIJ-IBGZPJMESA-N 443.548 4.473 5 20 IIBD COc1cc(CN2CC[C@H]3[C@@H](CCCN3C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 539899871 XYUZOULNYPOBOC-FPOVZHCZSA-N 425.529 4.099 5 20 IIBD O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 543643875 XUXAUSAPOZKXEN-UHFFFAOYSA-N 438.818 4.409 5 20 IIBD CCCCOC1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCCCO2)CC1 550065680 AJQFZZQDDNJTDA-NRFANRHFSA-N 443.548 4.208 5 20 IIBD COC(=O)c1cc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c(C)cc1Br 552413241 RMKQNAYKMFCBBU-UHFFFAOYSA-N 446.257 4.046 5 20 IIBD CCCN(CC(=O)Nc1ccccc1OC)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 552651205 DRLXXTLFMLPTIL-HNNXBMFYSA-N 439.472 4.065 5 20 IIBD O=C(Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1)c1ccc([N+](=O)[O-])cc1F 553000611 PKYBYWUKEMNPMV-UHFFFAOYSA-N 428.323 4.403 5 20 IIBD CCOC(=O)c1cc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c(F)cc1C 556481686 UZEGYZONPONTSO-UHFFFAOYSA-N 444.337 4.412 5 20 IIBD O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 559421395 ZDHZMGURCPWJGV-HXUWFJFHSA-N 427.888 4.007 5 20 IIBD CN1CCC[C@@]2(CCN([C@H](C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c3ccccc3)C2)C1 571065392 WJWMKYSFFNBDDV-JTHBVZDNSA-N 442.947 4.346 5 20 IIBD O=C(N[C@@H](C1CC1)C(F)(F)F)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 574668179 WSHMYDILFHSIRT-HNNXBMFYSA-N 439.356 4.287 5 20 IIBD CCN(CC)CC(=O)Nc1cccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1 577674203 YUHVFUNMHLEJSM-UHFFFAOYSA-N 442.519 4.214 5 20 IIBD COc1cc(-c2nc(-c3ccccc3NC(=O)c3ccccn3)no2)cc([N+](=O)[O-])c1C 589121815 HPSFAPOBYSKHDN-UHFFFAOYSA-N 431.408 4.276 5 20 IIBD O=C(CSc1nnc(-c2cccs2)o1)Nc1ccc([N+](=O)[O-])cc1Br 594013958 IPICWJMXIBNQTQ-UHFFFAOYSA-N 441.288 4.200 5 20 IIBD COc1cc(OC)c(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1Cl 603728941 XLIGGYOYDUQYAO-UHFFFAOYSA-N 434.754 4.459 5 20 IIBD CCOc1cc(NC(=O)N[C@H]2CCOc3c(OC)cccc32)c([N+](=O)[O-])cc1OCC 608785181 CFFSTZYZURYCES-AWEZNQCLSA-N 431.445 4.046 5 20 IIBD Cn1cc(C(=O)N[C@@H]2CCc3c(Br)cccc32)c(-c2ccc([N+](=O)[O-])cc2)n1 609022831 PHFVAMGTQUQTIQ-GOSISDBHSA-N 441.285 4.175 5 20 IIBD Cc1nn(C)c(C(=O)Nc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)c1[N+](=O)[O-] 609066547 PMPHVHHYVKABMT-UHFFFAOYSA-N 434.374 4.487 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC(n4c(O)nc5ccccc54)CC3)o2)c1 609193662 ZQVDQSNENDFGJL-UHFFFAOYSA-N 433.468 4.185 5 20 IIBD O=[N+]([O-])c1cc2c(c(C[S@](=O)Cc3ccc(Br)cc3Cl)c1)OCOC2 609281217 WFCVZXFRDPTFRV-RUZDIDTESA-N 446.706 4.326 5 20 IIBD CC(C)(C)Oc1ccc(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c(C(F)(F)F)c1 610307706 FTGHBFRRDMKFOP-UHFFFAOYSA-N 440.374 4.450 5 20 IIBD CS(=O)(=O)c1ccc(N2CCC[C@H]2c2ccccc2Br)c([N+](=O)[O-])c1 610677963 XHGPJEAQOZXHBX-HNNXBMFYSA-N 425.304 4.102 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)C1CCN(C)CC1 611214527 UFNXRNXIHZEWKX-OAHLLOKOSA-N 430.936 4.320 5 20 IIBD O=C(NC1CCN(c2nccs2)CC1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 619608804 JDVAARQTDFIOIF-UHFFFAOYSA-N 432.571 4.485 5 20 IIBD Cc1nc(-c2ccsc2)ccc1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 726230583 JTNYONDXDVQKSX-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD CCc1cccc[n+]1/C(C(=S)NCCc1cccnc1)=C(/O)c1ccc(C)c([N+](=O)[O-])c1 727814440 YMFJILBVHCPNEZ-UHFFFAOYSA-O 449.556 4.192 5 20 IIBD COc1ccc(-c2nc(C)c(C(=O)Oc3cc([N+](=O)[O-])ccc3OC)s2)cc1OC 728148841 IAOGESLZKBJAAC-UHFFFAOYSA-N 430.438 4.272 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)cc1SC 728649640 OIHWMBJUNGYDMG-KBPBESRZSA-N 444.509 4.239 5 20 IIBD O=C(Nc1ccc(OS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1)c1ccsc1 728935506 NYJZCABVQZXJJE-UHFFFAOYSA-N 438.870 4.330 5 20 IIBD O=C(CSc1ccccc1Cl)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730706212 BFORHYGVSRAXDE-CQSZACIVSA-N 434.901 4.188 5 20 IIBD O=C(NC[C@H](O)c1cccc(C(F)(F)F)c1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 730898131 VYEYQDKIYRVXCH-ZDUSSCGKSA-N 435.305 4.070 5 20 IIBD O=C(COC(=O)c1cc(F)cc([N+](=O)[O-])c1)NCCC(c1ccccc1)c1ccccc1 731528587 BYKACERIMGMOHD-UHFFFAOYSA-N 436.439 4.229 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1ccc(SC2CCCC2)cc1 731606000 NNRQMLHXTBKKPK-UHFFFAOYSA-N 430.482 4.468 5 20 IIBD CCn1cnc2c(Oc3ccc4c(-c5ccc([N+](=O)[O-])cc5)cc(=O)oc4c3)ncnc21 731917132 XKSVVQRCGZUWRK-UHFFFAOYSA-N 429.392 4.320 5 20 IIBD CCS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2cc(F)ccc2[N+](=O)[O-])c1Cl 731981780 PSILBULELZIQGN-UHFFFAOYSA-N 436.244 4.191 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1NC(=O)C(C)(C)C 732047788 DXMBNNPLYLHLMC-UHFFFAOYSA-N 425.894 4.342 5 20 IIBD O=C(C[C@@H](c1ccccc1)C(F)(F)F)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 735350513 WYPLUVHHRJNSFN-HNNXBMFYSA-N 438.358 4.172 5 20 IIBD CC(C)(C(=O)NS(=O)(=O)c1ccc(C2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1 740527913 OQKAINWACZWKRG-UHFFFAOYSA-N 430.526 4.425 5 20 IIBD O=C(NC[C@H](O)c1c(Cl)cccc1Cl)c1cc([N+](=O)[O-])ccc1N1CCCCC1 740943735 JSENMMARHJVYJU-SFHVURJKSA-N 438.311 4.355 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3ccc(-n4cccn4)cc3)CC2)ccc1[N+](=O)[O-] 744200395 FCBNOVGKSFMJSA-UHFFFAOYSA-N 436.468 4.005 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)O[C@@H]2CCCN(c3ccccc3Cl)C2=O)cc1OC 744520209 FJPPNBWNDBWCMX-QGZVFWFLSA-N 448.859 4.008 5 20 IIBD Cc1cc(-n2c(C)cc(C(=O)O[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c2C)no1 746175407 DFRIYKCRINOVTB-CQSZACIVSA-N 437.412 4.267 5 20 IIBD Cc1cc(C(=O)N[C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c(N)c([N+](=O)[O-])c1 749352988 WEFSGFMPOGZEDN-CQSZACIVSA-N 436.443 4.368 5 20 IIBD O=C(CN(Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1ccccc1C(=O)Nc1ccccc1 749528980 RKDJGJRVKVUUBX-UHFFFAOYSA-N 444.491 4.450 5 20 IIBD CSc1ccc(NC(=O)Cn2cc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])cn2)cc1 749983553 OKMIHAUUMFFWDZ-UHFFFAOYSA-N 445.888 4.058 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)cc1[N+](=O)[O-] 752138885 WNPHBCUXPMQMIP-HNNXBMFYSA-N 444.919 4.363 5 20 IIBD CC(C)([C@@H](OC(=O)CSCc1cscn1)c1ccc(Br)cc1)[N+](=O)[O-] 753471076 CSRIMEWSVQKAAG-HNNXBMFYSA-N 445.360 4.479 5 20 IIBD Cc1c(Br)cc(C(=O)NC[C@@H](O)c2cc3ccccc3s2)cc1[N+](=O)[O-] 753646525 DGURCBLXUBSJDO-OAHLLOKOSA-N 435.299 4.344 5 20 IIBD C[C@@H](OC(=O)c1c(Cl)ccc(F)c1N)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 754112388 GZWZPMMSDQVHGE-SSDOTTSWSA-N 449.744 4.172 5 20 IIBD CCOC(=O)c1cccc(N(CC)C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c1 754994635 UYEOPKQXTDNTNL-UHFFFAOYSA-N 439.237 4.340 5 20 IIBD O=C(NCCc1nc(C(F)(F)F)cs1)Nc1ccc(Br)c([N+](=O)[O-])c1 755029429 BKCYBZWHKUFHSG-UHFFFAOYSA-N 439.213 4.197 5 20 IIBD CC[C@H](C)n1ncc(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1C1CC1 760623738 ARIZHIAFHZQUHO-RYUDHWBXSA-N 434.880 4.477 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(c2ccc(C)cc2)C1 764271112 JOEFKCGDMXLCSJ-QGZVFWFLSA-N 429.542 4.041 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(NC3CCN(Cc4ccc(Cl)cc4)CC3)CC2)cc1 764702232 UKAXFNBUMOJGIR-UHFFFAOYSA-N 428.964 4.471 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1 767253376 ZKZCYAQIGHPJDV-AWEZNQCLSA-N 447.257 4.161 5 20 IIBD COc1cc(C2SCCS2)ccc1OS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 767666506 STMIDKLOWJVFTK-UHFFFAOYSA-N 433.554 4.220 5 20 IIBD CNC(=O)c1ccc(CN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C2CC2)cc1 768422939 OOONPSYPFCCXFA-UHFFFAOYSA-N 435.480 4.388 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)cc1OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 769563223 SBQPMWIQACYFBP-UHFFFAOYSA-N 427.457 4.218 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](NC[C@H]1COC2(CCCC2)O1)c1ccccc1 773211706 SABIYMAPBSMQEI-PXNSSMCTSA-N 445.903 4.203 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1csc(-c2ccc(F)c(F)c2)n1 780133986 BJSVBEVSZSQROY-UHFFFAOYSA-N 433.392 4.100 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CNC(=O)OC(C)(C)C)CC1 780451448 UBMOWMZBVZLQGS-UHFFFAOYSA-N 437.562 4.474 5 20 IIBD Cc1cc(=O)oc2cc(OC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)cc12 781782804 VKWRHYSDGLIZCY-UHFFFAOYSA-N 432.772 4.109 5 20 IIBD O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccc([N+](=O)[O-])c1Br 782117132 KCGVZVZTEKMBJR-UHFFFAOYSA-N 432.274 4.236 5 20 IIBD COC(=O)C[C@H]1CN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c2ccccc21 783731411 CKVFDRZWIMVJIQ-SFHVURJKSA-N 446.459 4.481 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 783839215 NGDKSERMUZWCDN-ROUUACIJSA-N 449.551 4.107 5 20 IIBD CN(CC1(N(C)C)CCC1)C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 783860564 POPKIEAEZCTPOS-UHFFFAOYSA-N 444.919 4.057 5 20 IIBD O=c1c(-c2ccccc2)coc2cc(OC[C@H](O)COc3ccccc3[N+](=O)[O-])ccc12 783916079 NYGQNGRQXYIMNI-KRWDZBQOSA-N 433.416 4.187 5 20 IIBD Cc1cc(-c2noc([C@@H](C)OC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)n2)ccc1F 785679055 UYEZSZZWARSRSF-CYBMUJFWSA-N 437.387 4.196 5 20 IIBD CC(C)C(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 785938716 APIZPRQGYPJEPK-CYBMUJFWSA-N 432.860 4.200 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCn2c(Br)cnc2C1 788196937 UZRTWLNNPNKSQC-UHFFFAOYSA-N 443.257 4.002 5 20 IIBD COc1ccc(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(OC(C)C)c1 789216900 OQJHVESZCZLGDA-GFCCVEGCSA-N 436.848 4.228 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(COc3cc(F)c(Br)cc3[N+](=O)[O-])n2)c1 790293230 VJDQIMCUKLDHKU-UHFFFAOYSA-N 439.153 4.034 5 20 IIBD Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C1 791218652 JSVHFCMMJZBJHI-AWEZNQCLSA-N 434.899 4.018 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCCC1 791590276 UVGISYZGGYOZBQ-MRXNPFEDSA-N 435.521 4.197 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)c1ccc(F)cc1F 792474692 WBRMOWJFDLXVFR-SECBINFHSA-N 428.185 4.372 5 20 IIBD CC(C)(C)OC(=O)NC(C)(C)c1noc(COc2cc(F)c([N+](=O)[O-])cc2Cl)n1 795264703 UXNWAEBJZXDZEL-UHFFFAOYSA-N 430.820 4.109 5 20 IIBD CCOc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)Nc1c(F)ccc([N+](=O)[O-])c1C 800614784 QAFYLTIDOJGYFN-KRWDZBQOSA-N 431.464 4.283 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)O[C@@H](c2cncc(F)c2)C2CCCCC2)cc1[N+](=O)[O-] 802079767 ZGHVOZHBYGDPRT-LJQANCHMSA-N 436.461 4.011 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccc(N2CCCCC2=O)cc1 811006552 XTGNTAIFICWEOI-CYBMUJFWSA-N 446.301 4.365 5 20 IIBD Cc1ccc(NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1S(=O)(=O)NC1CC1 811506168 XUHZWISERCQDGE-UHFFFAOYSA-N 430.313 4.263 5 20 IIBD CCOc1ccc([C@H](O)C2CCN(CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1 812863100 CLIVVVHJNVETRU-DEOSSOPVSA-N 441.528 4.076 5 20 IIBD Cc1ccc(Cl)cc1N(C)S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] 815091193 NRTGXBPLDFLCBI-UHFFFAOYSA-N 437.674 4.283 5 20 IIBD Cc1nn(-c2ccccc2)c(Cl)c1C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 855151759 QZGJWJVGCXCLLB-CQSZACIVSA-N 442.859 4.235 5 20 IIBD C[C@H]1CCC[C@H](C)N1NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 864829670 RWHGTSCEBWSESB-KBPBESRZSA-N 430.892 4.408 5 20 IIBD C[C@@H](OC(=O)c1cc(Cl)ccc1Br)C(=O)Nc1ccc([N+](=O)[O-])cc1 913345543 ZEQHDWOIWSQRLK-SECBINFHSA-N 427.638 4.195 5 20 IIBD COc1ccc([C@@H]2CCCCCN2C(=O)COC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 918859744 JPBYZFZMGPMMNA-NRFANRHFSA-N 426.469 4.213 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(Cl)c1 920552287 WFEPQIFEIGIAMF-CYBMUJFWSA-N 442.859 4.141 5 20 IIBD COc1ccc(-c2cc(C(=O)OCCn3c([N+](=O)[O-])cnc3C)c3ccccc3n2)cc1 920972920 FQDOWZJKHMFSHD-UHFFFAOYSA-N 432.436 4.181 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@H](C)CC(=O)OC(C)(C)C)cc2[N+](=O)[O-])n1 1318366257 YWVQSYXRSHFFCN-LLVKDONJSA-N 437.543 4.361 5 20 IIBD O=[N+]([O-])c1ccccc1OCc1nnc(-c2ccn(-c3cccc(Br)c3)n2)o1 1322150980 GPRLIZGFTFTMDN-UHFFFAOYSA-N 442.229 4.172 5 20 IIBD COc1cc(/C=C/C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)ccc1OCc1c(C)noc1C 1331939547 QSAWICUANYLRFT-WEVVVXLNSA-N 449.463 4.343 5 20 IIBD CC1(C)CCC(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1793276901 JBRJFBLAZWNYNP-BKJBBLARSA-N 443.544 4.446 5 20 IIBD Cc1ccsc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc(Cl)cc1[N+](=O)[O-])C2 1794972296 DKCWPBQYUIOWHF-BJWYYQGGSA-N 447.944 4.113 5 20 IIBD CCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCc1cc(C)c(F)cc1[N+](=O)[O-])C2 1801648916 BFGHBNVKPYAUBW-REPLKXPHSA-N 447.551 4.439 5 20 IIBD CCCCC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)n[nH]1 1820366906 KOVLCLSOXGJPIF-RHSMWYFYSA-N 430.509 4.168 5 20 IIBD CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CSc2ccccc2[N+](=O)[O-])CC1 1826406288 BTYTZJMMQNXZRX-GOSISDBHSA-N 447.601 4.353 5 20 IIBD CC(C)[C@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 1847615224 AKAHRNFJMZPHSF-MBHAIOSTSA-N 447.535 4.250 5 20 IIBD CCn1c(SCC(=O)NCc2ccc(C)c(F)c2)nc2cc3ccccc3cc2c1=O 11061712 RKNQQQMINRUZMX-UHFFFAOYSA-N 435.524 4.426 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)c(Cl)c1 14328692 XNSSMPSWMBTQSK-UHFFFAOYSA-N 434.283 4.274 5 20 IIBD CC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2cccc([N+](=O)[O-])c2)cc1 14354161 CVFPYICVWZUHCQ-UHFFFAOYSA-N 442.468 4.328 5 20 IIBD COc1cc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(OC)c1OC 15566872 OYXHMKRDSNZTJV-UHFFFAOYSA-N 446.403 4.370 5 20 IIBD COc1ccccc1CN(Cc1cccs1)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 16086184 CKRRAJCZCRAWGN-UHFFFAOYSA-N 448.522 4.065 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nc(-c2ccc(Br)cc2)n[nH]1 21157869 ZENVRWNFIIKSIX-UHFFFAOYSA-N 448.302 4.182 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H]3CCCC[C@H]3C)cc2)cc1[N+](=O)[O-] 21875679 MISVORFRGRFTOT-KUHUBIRLSA-N 431.514 4.013 5 20 IIBD C[C@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)N(C)Cc1nc2ccccc2s1 22795424 XHAXNEZXEAVEBG-NSHDSACASA-N 433.873 4.062 5 20 IIBD Cc1cc2oc(=O)cc(COC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)c2cc1C 24850582 IQYCVQQTJJENDD-UHFFFAOYSA-N 436.464 4.278 5 20 IIBD Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)OC(=O)Cn1c2ccccc2c(=O)c2ccccc21 28775012 UEJFDHVKXYHKDR-RBUKOAKNSA-N 442.515 4.272 5 20 IIBD O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 32057804 ZIBGLEBERCJTHX-UHFFFAOYSA-N 433.449 4.347 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(CN3CCC[C@@H](C)C3)cc2)cc([N+](=O)[O-])c1 60757798 QMWOHDBCNWSTGJ-MRXNPFEDSA-N 425.485 4.256 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(NC(=O)C2CC2)c1 105832853 NJWWWNFTAJCTTG-UHFFFAOYSA-N 436.390 4.403 5 20 IIBD Cc1c(C(=O)N[C@@H](C)C(c2ccccc2)c2ccccc2)nnn1-c1cccc([N+](=O)[O-])c1 105984992 NLYJOZWYPPVYEO-KRWDZBQOSA-N 441.491 4.434 5 20 IIBD CCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1cccc(N2CCCC2)c1 110210877 CYMNFWIYULZGGO-HXUWFJFHSA-N 444.919 4.386 5 20 IIBD COc1ccc(CSCC(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] 116002187 LBNLBZINCWJUOV-MRXNPFEDSA-N 449.960 4.133 5 20 IIBD CS(=O)(=O)c1ccc(NCc2cccc(NC(=O)C3CCCCC3)c2)c([N+](=O)[O-])c1 301121959 NUNIYSJNEAHYFF-UHFFFAOYSA-N 431.514 4.129 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 301384677 BWIGIEANPXYWNZ-HXUWFJFHSA-N 431.876 4.155 5 20 IIBD O=C(NCc1ccco1)c1cccc(CNc2cc(Br)ccc2[N+](=O)[O-])c1 301641846 BNSNXMCTESEYQH-UHFFFAOYSA-N 430.258 4.492 5 20 IIBD Cc1c(C(=O)N[C@@H](C)c2nc(-c3ccccc3)cs2)nnn1-c1cccc([N+](=O)[O-])c1 410299696 XZRKUFIDHUTGDA-ZDUSSCGKSA-N 434.481 4.098 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NCc1nnc(-c2ccccc2)s1 426051307 OWSUSUZXEXXGRN-UHFFFAOYSA-N 437.403 4.132 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 426227991 SGZWKWOQHRCAJY-UHFFFAOYSA-N 433.512 4.331 5 20 IIBD Cc1nc(C)n(Cc2cccc(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)c2)n1 427165214 QPOMJYFLRNABEV-UHFFFAOYSA-N 434.481 4.227 5 20 IIBD CCC[C@@H](NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)C(=O)N1CCc2sccc2C1 429331037 NFGLREYPNXFDJA-MRXNPFEDSA-N 430.530 4.148 5 20 IIBD COCc1nc2cc(N[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)ccc2o1 432345868 HQLDCYWWCYYFFM-SNVBAGLBSA-N 438.362 4.340 5 20 IIBD CN(C(=O)[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1)c1ccccc1 432411210 WODFXQPZXXJDNZ-CYBMUJFWSA-N 436.390 4.130 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)C[C@@H](O)Cc2ccccc2)c([N+](=O)[O-])c1 433067962 PPEOVDSJTPURCV-XUZZJYLKSA-N 433.508 4.118 5 20 IIBD CCn1nccc1C1CCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 434006263 NZWHKLGOJPWZAB-UHFFFAOYSA-N 439.438 4.038 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccccc1CN(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 434942126 IHCNTLMNAVQROD-KRWDZBQOSA-N 432.480 4.047 5 20 IIBD CC(C)NC(=O)Nc1ccc(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1 436116251 UJMNMXYRFHYONI-UHFFFAOYSA-N 446.482 4.280 5 20 IIBD O=C(c1cccc(Cl)c1Cl)N1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 436305591 IERREBAFDXIUGE-UHFFFAOYSA-N 449.216 4.278 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c1 438962615 RCTGZJWVRMLOPZ-UHFFFAOYSA-N 449.529 4.010 5 20 IIBD O=C(NCC(=O)N1CCC[C@H](CCCc2ccccc2)C1)c1c(Cl)cccc1[N+](=O)[O-] 439165387 FFIWVSSPGNVENM-SFHVURJKSA-N 443.931 4.240 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](c2c[nH]c3ccccc23)C(F)(F)F)c1C 443445956 NWAQEFKFKRIIBP-KRWDZBQOSA-N 427.404 4.275 5 20 IIBD CCO[C@@H](C)c1nc(CN2CCN(C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CC2)cs1 443963965 SXMDUAMHGJUSNY-INIZCTEOSA-N 447.561 4.115 5 20 IIBD O=C(Cc1noc(-c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n1)NCc1ccco1 445286061 XNOZVERYERPFLC-UHFFFAOYSA-N 436.449 4.248 5 20 IIBD Cc1nc2sccn2c1-c1noc(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 445626514 KAJWVFJRDCFURR-UHFFFAOYSA-N 438.391 4.336 5 20 IIBD Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)c(Oc2ccccc2)c1 446342089 OGNPDYNRAWLJDY-UHFFFAOYSA-N 440.477 4.029 5 20 IIBD O=C1CCc2cc(OCC(=O)Nc3ccc(OCc4ccccc4)cc3[N+](=O)[O-])ccc2N1 446436028 JYARTAOWBGFHJC-UHFFFAOYSA-N 447.447 4.076 5 20 IIBD O=C(CN1CCCCCC1)Nc1ccc(N[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 447587435 RCYFBJXBUFOXTC-RTWAWAEBSA-N 440.548 4.202 5 20 IIBD O=[N+]([O-])c1ccc(CSc2ccc(S(=O)(=O)N3CCCC3)cn2)c(C(F)(F)F)c1 448100909 JZHNLYGYTXHJNB-UHFFFAOYSA-N 447.460 4.085 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3cccc(S(C)(=O)=O)c3)cc2)c1 460101715 FJNPAQJGMMXCBJ-UHFFFAOYSA-N 426.450 4.351 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CC[C@@H](n2cc(Cl)cn2)C1 461629953 VBDFINUAYGOLGA-GOSISDBHSA-N 425.876 4.144 5 20 IIBD C[C@@H]1Cc2ccccc2CN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCO1 461659616 HHIYSORKWJLVAO-VGSWGCGISA-N 433.512 4.374 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C 462601946 CDSXMWLUFCSHIE-LRDDRELGSA-N 426.439 4.417 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 462761172 NAPVZFXACHWNLX-RTBURBONSA-N 441.528 4.284 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(F)(c3cccc(Cl)c3)CC2)c2ncccc12 462789099 PSFQMUVZSCEXOI-UHFFFAOYSA-N 449.891 4.446 5 20 IIBD COc1ccc(-c2cc3ncn(Cc4cc(OC)c(F)cc4[N+](=O)[O-])c(=O)c3s2)cc1 463439975 MIBDOIXLERKDPB-UHFFFAOYSA-N 441.440 4.238 5 20 IIBD COc1ccc(Cl)cc1NCCC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464637133 HSTKZHXESQRNIX-UHFFFAOYSA-N 433.892 4.129 5 20 IIBD C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1cc2cc(Br)ccc2[nH]1 468043479 WGZCJWKWNISIEI-LBPRGKRZSA-N 431.290 4.346 5 20 IIBD COC(=O)[C@@H](NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1)c1ccsc1 470140334 IXEZUPMZOBPHAT-HNNXBMFYSA-N 449.535 4.217 5 20 IIBD O=C(Nc1cc(Cl)ccc1O)C1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 473519844 MQOQYNNKRIBVPI-UHFFFAOYSA-N 426.860 4.357 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 475072807 ZFAXATXMRLZLMZ-AWEZNQCLSA-N 433.295 4.321 5 20 IIBD Cc1c(CS(=O)(=O)CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)cccc1[N+](=O)[O-] 476640836 XAOWQXDKMHIHTO-JOCHJYFZSA-N 448.516 4.005 5 20 IIBD CCOc1cc(NC(=O)[C@@H](c2c(F)cccc2Cl)N(C)C)c([N+](=O)[O-])cc1OCC 476692421 MXYKPIZCSHHRAD-LJQANCHMSA-N 439.871 4.426 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CC[C@H](c2ccc(F)cc2)C1 478189017 WYYSPKONGJRHLV-MGPUTAFESA-N 447.894 4.158 5 20 IIBD O=C(Nc1cc2ccc(Br)cn2n1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 482189367 WTFPILIXHYXDDQ-UHFFFAOYSA-N 430.262 4.202 5 20 IIBD CCOC(=O)c1csc([C@@H]2CCCN2C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)n1 482927415 LQFBGIXPUQCFSS-FQEVSTJZSA-N 447.516 4.292 5 20 IIBD C[C@@H]1CCSCCN1C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 482944421 FXWRRIMYMSHRBO-CYBMUJFWSA-N 431.480 4.184 5 20 IIBD CCOc1cc(C(=O)Nc2c(F)ccc(C)c2Br)c([N+](=O)[O-])cc1OC 484700688 LYURTQNTSNRMCC-UHFFFAOYSA-N 427.226 4.464 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3cc(COC(C)(C)C)on3)cc2[N+](=O)[O-])C1 485542014 PTCRGDZYYQUXSB-HZPDHXFCSA-N 444.532 4.310 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN(CCO)Cc3cccc(Br)c3)o2)c1 488211637 FQRBWZIIKMGMCI-UHFFFAOYSA-N 446.301 4.049 5 20 IIBD Cc1c(CN2CCSCC2)cccc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 488442342 QUIIUEIKFIRWNN-UHFFFAOYSA-N 437.468 4.306 5 20 IIBD C[C@H]1CN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C[C@H](c2cccc(C(F)(F)F)c2)O1 488713623 MLCSKAUXOHHXGV-RNODOKPDSA-N 449.429 4.472 5 20 IIBD COc1ccc([C@H](CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)N2CCCC2)cc1 489991291 FZBUXXIHRMLSKT-JTSKRJEESA-N 426.517 4.109 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccc(Cl)cc1OCC(F)F 491499997 IUGNEWFAOXWKJD-UHFFFAOYSA-N 437.786 4.458 5 20 IIBD O=C(NCc1ccc(OCc2ccccc2)cc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 498327371 YGLWNCHDUQMVAF-UHFFFAOYSA-N 428.448 4.290 5 20 IIBD CCN(C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)[C@H](C)c1cccc(C(F)(F)F)c1 499131458 DDYLVQKXGDMESK-GFCCVEGCSA-N 437.374 4.131 5 20 IIBD CCOc1cc(C(=O)NCc2ccc(-n3cnc4ccccc43)cc2)c([N+](=O)[O-])cc1OC 499497299 GXBQYJVECBQLAI-UHFFFAOYSA-N 446.463 4.271 5 20 IIBD Cc1csc(Sc2ccc(-c3nc([C@@H]4CN(C(C)C)CCO4)no3)cc2[N+](=O)[O-])n1 500916030 PLHUENZNOJEFOF-HNNXBMFYSA-N 447.542 4.343 5 20 IIBD CN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCSc2ccc(Br)cc21 504559245 PSSXHRBSGHTPAR-MRXNPFEDSA-N 437.315 4.432 5 20 IIBD CC(C)(C)CN(Cc1ccccc1)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 504888098 MZFSEEXRCRNQKB-UHFFFAOYSA-N 425.485 4.358 5 20 IIBD COc1ccc2c(C)cc3nnc(Sc4cc5c(cc4[N+](=O)[O-])CCC(=O)N5)n3c2c1 506836373 GWZARVGXYJAMOY-UHFFFAOYSA-N 435.465 4.144 5 20 IIBD O=C(Cc1ccc(OCc2ccccn2)cc1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 507529895 LSUFIGFDLWPKKT-HSZRJFAPSA-N 435.505 4.386 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(Cc1ccco1)C(C)C 509153846 PGQRXQDJLYZTNQ-UHFFFAOYSA-N 428.226 4.152 5 20 IIBD CCOc1ccc(C2=CCN([C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)CC2)cc1 509497723 CENAMNQTMMPPSJ-MRXNPFEDSA-N 425.485 4.118 5 20 IIBD O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)cc1 511251340 MLEMUMVDAQPLBS-SFHVURJKSA-N 444.431 4.107 5 20 IIBD O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 511405954 UHTPJVOPLMJBKH-UHFFFAOYSA-N 442.479 4.160 5 20 IIBD Cc1nc(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)nn1-c1c(Cl)cccc1Cl 513013711 ANPILRMSPMPQIT-UHFFFAOYSA-N 434.283 4.105 5 20 IIBD CS(=O)(=O)c1cc(C(=O)Nc2c(F)cc(F)cc2-c2ccccc2)cc([N+](=O)[O-])c1 517904089 ZNTJIGDLDIACMG-UHFFFAOYSA-N 432.404 4.196 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@H](C2CCCCC2)N(C)C)cc1[N+](=O)[O-])c1ccccn1 518784637 KVCNGFPARRRGGC-GAJHUEQPSA-N 439.560 4.403 5 20 IIBD C[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(OCc2cccnc2)cc1 521382049 WOWMEGBURXEDSA-QGZVFWFLSA-N 443.463 4.246 5 20 IIBD COc1ccc(CC[C@@H]2CCCCN2S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1OC 522351794 BQCSSHICUFJSPW-SFHVURJKSA-N 448.541 4.096 5 20 IIBD O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@H]1C[C@@H]1c1cccc(Br)c1 522359005 LTTVPGUJHBRVNM-CVEARBPZSA-N 427.258 4.490 5 20 IIBD O=C(Nc1cccc(F)c1)C1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 522640017 PCKUKQDDUJNGTI-UHFFFAOYSA-N 449.866 4.034 5 20 IIBD COC(=O)[C@H](C)NC(=O)c1ccc(N[C@H](C)c2cccc(Cl)c2Cl)c([N+](=O)[O-])c1 522760164 UJFFBOBBUQOODH-MNOVXSKESA-N 440.283 4.366 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc3oc(=O)n(C)c3c2)cc1 523279527 WTAYGFZRDQJBHY-UHFFFAOYSA-N 435.392 4.093 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H](c1cccc(F)c1)c1cnn(C)c1 523979937 QVZMVSUTHRHDGB-VLIAUNLRSA-N 428.489 4.196 5 20 IIBD COc1cc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)ncn1 533146656 KIGXVOXELWYMKU-UHFFFAOYSA-N 430.804 4.100 5 20 IIBD C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 533250678 HPEATKBAQFGPJT-JTQLQIEISA-N 426.256 4.262 5 20 IIBD COc1ccc(CNc2ccc(N3CCCC3=O)cn2)cc1OCc1ccc([N+](=O)[O-])cc1 533252769 FAVQJVODYDMWMG-UHFFFAOYSA-N 448.479 4.316 5 20 IIBD Cn1ccnc1[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 533699999 KFPVMBVSFIPQFG-OAHLLOKOSA-N 426.860 4.404 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 534950232 PSUFVAMPFBSOEI-OLZOCXBDSA-N 448.463 4.349 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(c2ccccc2)CCC1 534991099 WKNVKPFNOUOBPA-UHFFFAOYSA-N 428.510 4.102 5 20 IIBD O=C(Nc1cccc(OC2CCCC2)c1)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 538061314 LRLYQMQZYZCSKZ-UHFFFAOYSA-N 425.470 4.438 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 538239747 DBOAZZKGJCDVOW-POHZPAGDSA-N 425.268 4.315 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H](CO)CC(C)(C)C)cc1[N+](=O)[O-] 538849243 SQJDAVKJYBIPNC-HNNXBMFYSA-N 430.526 4.075 5 20 IIBD Cc1cccc(Nc2nnc(Sc3sc(S(C)(=O)=O)cc3[N+](=O)[O-])s2)c1C 543031877 VXGXVLVXRQBHGJ-UHFFFAOYSA-N 442.569 4.423 5 20 IIBD C[C@H]1CCc2sc(C(=O)N3CCCN(c4nc5ccc([N+](=O)[O-])cc5[nH]4)CC3)cc2C1 543701403 SQTGJARPDXJSJD-AWEZNQCLSA-N 439.541 4.010 5 20 IIBD Cc1nn(CCc2nc(-c3cc(Cl)ccc3OCC(F)(F)F)no2)c(C)c1[N+](=O)[O-] 545758033 SDUVWJBSKZIUDP-UHFFFAOYSA-N 445.785 4.295 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H]2CCOC(C)(C)C2)cc1[N+](=O)[O-] 546662092 HMRSTSPZRINVBZ-HNNXBMFYSA-N 428.510 4.235 5 20 IIBD CC(C)OC(=O)C[C@@H]1CCCN(C(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)C1 547358980 YGMZLZDRFPQXMJ-OTWHNJEPSA-N 445.560 4.271 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccc(OC(F)F)nc2)cc1[N+](=O)[O-])c1ccccn1 549029105 DWBVVEVASBASQS-GFCCVEGCSA-N 429.383 4.412 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ncc(-c2ccccc2)o1 556560496 HGYKPXSDRPOHPQ-AWEZNQCLSA-N 436.468 4.363 5 20 IIBD O=[N+]([O-])c1ccc(NS(=O)(=O)c2cccc(Cl)c2Br)c2cccnc12 558139330 FOGGXBRHRMMYQJ-UHFFFAOYSA-N 442.678 4.360 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1 558761495 DFOMWSGQUUTSRF-UHFFFAOYSA-N 439.390 4.101 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCn1cc(Br)cn1 568680881 SWJFQIYTLHOQHC-UHFFFAOYSA-N 441.351 4.218 5 20 IIBD C[C@@H](SCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)NCCc1ccc(F)cc1 574104139 AYDUJRSGFGVWFG-CQSZACIVSA-N 429.473 4.370 5 20 IIBD CCc1c(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cnn1-c1cccc(Cl)c1 574106134 YCGKQUWWHCSXIY-UHFFFAOYSA-N 428.832 4.020 5 20 IIBD CC[C@](C)(NC(=O)c1ccccc1)c1noc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 574197946 MKHZFNDVRHNWLC-QHCPKHFHSA-N 435.484 4.300 5 20 IIBD COc1ccccc1O[C@@H]1CCCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C1 577780960 RRWQDSCRTOWVTD-CQSZACIVSA-N 432.498 4.018 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCc3sc(Cl)cc32)c(Br)c1 582328671 JPXNMMAOBZTYFD-JTQLQIEISA-N 437.724 4.038 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCSC4(CCCCC4)C3)n2C[C@@H]2CCOC2)c1 583885549 VULQHVODQZXREV-KRWDZBQOSA-N 443.573 4.146 5 20 IIBD CC(C)CCSc1ccc(C(=O)NCc2nc(-c3ccncc3)no2)cc1[N+](=O)[O-] 591721606 AMXIYYUKEGYJBY-UHFFFAOYSA-N 427.486 4.108 5 20 IIBD CCOC(=O)c1c(C2CC2)csc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 603728246 DUMDXYVUJMGKFO-UHFFFAOYSA-N 426.454 4.148 5 20 IIBD CCc1cccc2c(C3CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4OC)CC3)c[nH]c12 604043063 WIIYJGCDCKLUEY-UHFFFAOYSA-N 443.525 4.215 5 20 IIBD Cc1csc(Sc2ccc(NC(=O)[C@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)cc2)n1 604249230 HDHQNLMSPWNFQJ-ZDUSSCGKSA-N 442.522 4.268 5 20 IIBD Cc1cccc(C2(CNC(=O)C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)CCCC2)c1 608894755 QCEXAOJBUKPIQI-UHFFFAOYSA-N 447.438 4.071 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCCC[C@H]1c1ccccc1C(F)(F)F 608945681 WGENGSYCAXKRLR-INIZCTEOSA-N 449.385 4.275 5 20 IIBD O=C(CCN1CCCC1=O)Nc1cc([N+](=O)[O-])ccc1Nc1cccc(C(F)(F)F)c1 609019621 VVDNGUBQXRNSQD-UHFFFAOYSA-N 436.390 4.308 5 20 IIBD O=C(CN1CCC(c2nc(-c3ccccc3)no2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl 609146398 PMFPKRKHRPYAFN-UHFFFAOYSA-N 441.875 4.116 5 20 IIBD COc1ccc(CNC(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)cc1[N+](=O)[O-] 609291561 YPEFXAKTQZJZSA-UHFFFAOYSA-N 427.486 4.103 5 20 IIBD C[C@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1nc(C(C)(C)C)cs1 609304498 RQHXBNFZGFIGEC-NSHDSACASA-N 446.558 4.120 5 20 IIBD O=C(N[C@H](c1ccccc1)c1cc2ccccc2o1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 609443684 YYNBALVFTJASHP-HSZRJFAPSA-N 439.431 4.441 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC(c2nc(-c3ccccc3)cs2)CC1 609488604 WTUJNZNIJNNYSK-UHFFFAOYSA-N 425.514 4.020 5 20 IIBD C[C@@H](NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1cccc(OCc2ccccn2)c1 609490738 YVTQHMXURZQQOJ-OAHLLOKOSA-N 444.447 4.314 5 20 IIBD Cc1ccccc1-c1noc(CSCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)n1 609769686 OEKFPYYXPBDASI-UHFFFAOYSA-N 426.454 4.185 5 20 IIBD COc1ccc(N(Cc2ccco2)C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1F 610051707 CCOVXVNIEWCHAM-UHFFFAOYSA-N 430.388 4.200 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[C@@H]2c2ccccc2Br)s1 611930110 VDBWEEXWCCIFAL-GFCCVEGCSA-N 431.333 4.164 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc([C@@H](C)c2ccc(Br)cc2)no1 612980644 JIJHBIKIZKVRPY-RYUDHWBXSA-N 445.273 4.383 5 20 IIBD COc1ccc(-n2c(Sc3ncccc3[N+](=O)[O-])nnc2-c2cccc(OC)c2)cc1 619684557 UFEZHPNTFXDQOX-UHFFFAOYSA-N 435.465 4.406 5 20 IIBD CC(C)[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)N[C@H]1CCCC[C@H]1C 725985641 LXXWDJSJTJAWIF-DQYPLSBCSA-N 441.322 4.234 5 20 IIBD Cc1cc2oc(=O)cc(COC(=O)CCn3nc(C)c([N+](=O)[O-])c3C)c2cc1C(C)C 726648480 KQPZVZFZGBJOGR-UHFFFAOYSA-N 427.457 4.080 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H](OC2CCCC2)c2ccccc2)c([N+](=O)[O-])c1 727017981 PXQPHPCRAQMYOD-QVKFZJNVSA-N 442.468 4.174 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1nnn(-c2ccccc2F)c1C(F)(F)F 727711693 PMCKSZUCKOALPR-UHFFFAOYSA-N 429.717 4.239 5 20 IIBD COc1ccccc1C[C@H](C)CC(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 730692422 JJBHJMNVBIYHPE-KRWDZBQOSA-N 427.501 4.027 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)O[C@@H](c1cncc(F)c1)C1CCCCC1 731776439 ZXFQHZCFILCDAE-OAQYLSRUSA-N 429.448 4.114 5 20 IIBD COc1ccc(CC(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc1[N+](=O)[O-] 732027249 YUBPVITYKUMBQJ-UHFFFAOYSA-N 441.484 4.078 5 20 IIBD COc1ccc([C@@H]2[C@@H](COC(=O)c3ccc(SC)c([N+](=O)[O-])c3)CCC(=O)N2C)cc1 735776809 MIQUHTNOTVEQRQ-IIBYNOLFSA-N 444.509 4.092 5 20 IIBD O=C(NCC[S@@](=O)Cc1ccccc1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 735868627 UJJRLLUSTQCTBG-WJOKGBTCSA-N 439.493 4.458 5 20 IIBD CC(=O)N1CCCCC[C@H]1C1CCN(Cn2c(=S)oc3ccc([N+](=O)[O-])cc32)CC1 738224197 ZCUPBYCLWCXIAK-SFHVURJKSA-N 432.546 4.333 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc1[N+](=O)[O-] 742028048 ZUFXLVPUADFBQG-UHFFFAOYSA-N 436.490 4.053 5 20 IIBD O=C(COC(=O)c1cc2cccc(F)c2o1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 745284117 DECJRMBQTMXYMK-UHFFFAOYSA-N 426.278 4.294 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)ccc1NC(=O)CC(C)C 745295304 GYYZINYDLCQLST-AWEZNQCLSA-N 445.447 4.211 5 20 IIBD COc1cc2c(cc1NC(=O)COC(=O)Cc1cccc([N+](=O)[O-])c1)oc1ccccc12 745332402 JEXANLANNDNUCS-UHFFFAOYSA-N 434.404 4.227 5 20 IIBD CCOc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 745565111 IUZZNBGHIOEPOE-NSHDSACASA-N 426.347 4.196 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)Cc2cc(Cl)ccc2Cl)c([N+](=O)[O-])c1 748391608 NVLCZFZFZDSJRW-SNVBAGLBSA-N 427.240 4.023 5 20 IIBD CNC(=O)c1cc(Oc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2C)ccn1 748675306 SLYRMQRESPPAMM-UHFFFAOYSA-N 440.843 4.356 5 20 IIBD Nc1ccc(C(=O)Nc2ccc(Oc3cccc(Br)c3)nc2)cc1[N+](=O)[O-] 749623031 VJKTWRFEBJMMSG-UHFFFAOYSA-N 429.230 4.379 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC([C@@H](O)c2ccc(F)cc2)CC1 751022359 WSLAUWZTIAOAAV-SFHVURJKSA-N 437.265 4.082 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N2CCCCC[C@H]2C[C@@H](O)c2ccccc2)c([N+](=O)[O-])c1 751258048 KEUPVNYMGQCFTF-NZQKXSOJSA-N 448.523 4.432 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccc(Cl)c(Br)c1 753426509 YGTOHCXCEZGAKX-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD COc1cc(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1cscn1 756993123 NBWNYPWCJAHBEQ-UHFFFAOYSA-N 433.873 4.222 5 20 IIBD Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1N(C)C(=O)c1ccccc1[N+](=O)[O-] 757706687 GEBWBMHUUIPKPE-UHFFFAOYSA-N 434.408 4.340 5 20 IIBD COc1ccc2c(c1)[C@H](C(=O)Oc1ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc1)CC2 761429278 VLBKJJWXUWPNTC-OAQYLSRUSA-N 432.432 4.491 5 20 IIBD C[C@@H](OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(=O)Nc1cccc(Cl)c1Cl 763867686 AXLXBEZLTBBJQH-LLVKDONJSA-N 449.250 4.271 5 20 IIBD Cc1ccc(NC(=O)C2(CNC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])CCCC2)cc1C 765081301 VFEOFYAJVMSSOI-UHFFFAOYSA-N 431.439 4.419 5 20 IIBD O=C(NC[C@@H](O)c1cccnc1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 768294109 ILHMJJKLJMAAAK-QGZVFWFLSA-N 429.885 4.258 5 20 IIBD CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2cccc(-c3cccnc3)c2)NC(=S)N1 768485334 CQVMURPSVBXPLV-OAQYLSRUSA-N 445.504 4.088 5 20 IIBD COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)Cc1ccc(Br)c([N+](=O)[O-])c1 769527078 NSKCCKXZAGRNMH-MRXNPFEDSA-N 447.207 4.121 5 20 IIBD C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 771932483 WIFFIAYOQYWXJC-JQWIXIFHSA-N 448.398 4.404 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](NC[C@H]1COC2(CCCC2)O1)c1ccccc1 773211705 SABIYMAPBSMQEI-FXAWDEMLSA-N 445.903 4.203 5 20 IIBD CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 776004574 RPBWWFVVAOSVNM-ABKXIKBNSA-N 429.217 4.142 5 20 IIBD O=C(O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1ccc(OCC(F)(F)F)nc1 776139398 UQYHGZZEPAZDHK-SFHVURJKSA-N 433.342 4.272 5 20 IIBD CSc1cccc(C(=O)O[C@@H](C)C(=O)Nc2c(C(C)=O)oc3ccccc23)c1[N+](=O)[O-] 777073522 IMXTZZYHAVOYPT-LBPRGKRZSA-N 442.449 4.450 5 20 IIBD CC[C@@H](C)n1nc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1C 778162345 OVGGCGHKGJZYEY-ZYHUDNBSSA-N 442.394 4.274 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 780288464 OEOFLUVONMRWBE-INIZCTEOSA-N 446.307 4.383 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C[C@H](O)c1ccc(OCc3ccccc3)cc1)CC2 781011850 BQQNFMZBAPZPKY-DEOSSOPVSA-N 432.476 4.495 5 20 IIBD Cc1ccccc1CN(C)C(=O)[C@@H](C)OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 781259700 PIOCKWMIQGSQFV-QGZVFWFLSA-N 428.488 4.194 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N[C@@H]2c3ccccc3CC[C@H]2C)cc1[N+](=O)[O-] 785064517 YCAKEULCRULAEU-ZMZPIMSZSA-N 446.301 4.044 5 20 IIBD Cc1cc(C(=O)COC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c(C)n1Cc1ccco1 785950430 JYLBGEXNIAHODY-UHFFFAOYSA-N 430.844 4.276 5 20 IIBD Cc1cn(-c2c(F)cccc2F)nc1C(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 786951867 XQRDKRDWADLAMD-UHFFFAOYSA-N 440.362 4.379 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC1CCN(CC2CCCCC2)CC1 787098037 LSOKOPRJUNFIDO-UHFFFAOYSA-N 442.482 4.458 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(I)c1)c1ccc2ncsc2c1 788107578 GSMBSEKPMFCNEO-UHFFFAOYSA-N 425.207 4.061 5 20 IIBD CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790811892 CBQIYTWHHZLFFP-KRWDZBQOSA-N 433.911 4.300 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Oc1ccc(-c2noc([C@H]3CCCO3)n2)cc1 791573941 KUMOTSOBULPFQZ-QGZVFWFLSA-N 425.397 4.114 5 20 IIBD CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CC(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 791979528 ZSEYQJMJDVRDFQ-HOTGVXAUSA-N 449.460 4.114 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc1NC(=O)N(C)C 794420034 CRAJXFDOZNOVAP-UHFFFAOYSA-N 439.516 4.485 5 20 IIBD C[C@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)c1ccc(N2CCCNC2=O)cc1 794930835 UBCIXBVGYFFNCW-LBPRGKRZSA-N 436.390 4.024 5 20 IIBD CN(Cc1csc(Br)c1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F 795806508 WIVVHYUPHCKCQX-UHFFFAOYSA-N 443.703 4.032 5 20 IIBD Cc1cc(OCC(=O)O[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)ccc1[N+](=O)[O-] 797494797 FOKTZQHFMIHAJH-LLVKDONJSA-N 427.240 4.159 5 20 IIBD CN(CC(F)(F)Br)C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 807860852 AWYWEONLPPZOMV-UHFFFAOYSA-N 436.434 4.070 5 20 IIBD COCCOCc1ccc(CN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cc1 809665112 PDKQTGUDPLXXPK-UHFFFAOYSA-N 435.318 4.079 5 20 IIBD O=C(O[C@@H]1CCN2CCC[C@@H]2C1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 810846909 JOKPDZIPRBWRIG-IAGOWNOFSA-N 441.450 4.000 5 20 IIBD O=C(c1cccc(NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1)N1CCC[C@@H](CO)C1 811470068 RSGZEMNAKMOOBH-CYBMUJFWSA-N 438.311 4.358 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)[C@H](C)c2cccc(Br)c2)cccc1[N+](=O)[O-] 812609029 XKOIWXDQKACPRK-YPMHNXCESA-N 435.274 4.340 5 20 IIBD COc1ccc(C(=O)COC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc1Br 815406797 VTEQWDQXIIZWEY-UHFFFAOYSA-N 442.649 4.367 5 20 IIBD CC(C)(CO)[C@@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1cccs1 821564950 YEUDSZDUYRQGMF-AWEZNQCLSA-N 428.308 4.300 5 20 IIBD COc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1OC(F)F 849195305 FRNSEUAQOQYARG-VIFPVBQESA-N 444.774 4.042 5 20 IIBD CC1CCN(c2ccc(C(=O)OCc3noc(-c4ccsc4)n3)cc2[N+](=O)[O-])CC1 879076077 ZOSHRGQMVBISPK-UHFFFAOYSA-N 428.470 4.300 5 20 IIBD CCCN(Cc1c(F)cccc1Cl)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 914508144 PDQJTFQOSAKTRV-UHFFFAOYSA-N 435.883 4.276 5 20 IIBD Cc1cc(NC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1N(C)C 915349819 BRJMVMAXVFKTHV-UHFFFAOYSA-N 425.411 4.222 5 20 IIBD O=C(COCC(F)(F)F)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 915550165 NLPKQBSVVSDUAV-INIZCTEOSA-N 446.765 4.050 5 20 IIBD COc1ccc(-c2nnc(SCc3cc(F)ccc3[N+](=O)[O-])n2C[C@@H]2CCCO2)cc1 915791862 MWTOUQBTCHRNFJ-SFHVURJKSA-N 444.488 4.472 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCc2ccc(N3CCCCC3)nc2)CC1 917185301 UYBVVBZSNVGARX-UHFFFAOYSA-N 437.544 4.146 5 20 IIBD O=C1N[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)Nc2ccc(N3CCOCC3)cc21 917500161 XLAZPCVWQMIUEV-OAQYLSRUSA-N 436.493 4.014 5 20 IIBD CCOc1ccc(N2C(=O)/C(=C/NCc3ccc([N+](=O)[O-])cc3)c3ccccc3C2=O)cc1 917604821 LRMOQYCZPZDNDS-XQNSMLJCSA-N 443.459 4.311 5 20 IIBD Cc1ccc(N(C)C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1C 917805741 JYYWJRVAYXCPHY-UHFFFAOYSA-N 440.477 4.256 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)[C@H]1Cc2ccccc2S1)c1cccc([N+](=O)[O-])c1 918632587 JJURNMSUOMYZSJ-WIYYLYMNSA-N 440.521 4.240 5 20 IIBD O=C(COC(=O)c1ccc(-c2cnco2)cc1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 919502450 XLTOHXRVZALTPA-UHFFFAOYSA-N 435.314 4.064 5 20 IIBD CC(C)NC(=O)Nc1ccc(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 919543857 RISQNOLIULGZJT-ZDUSSCGKSA-N 439.428 4.093 5 20 IIBD COCCn1cc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)ccc1=O 1115901948 OBFAVBMFCGTTHA-UHFFFAOYSA-N 443.843 4.101 5 20 IIBD COc1ccc2c(C)c(CCc3nc(-c4cc(C)c([N+](=O)[O-])cc4C)no3)c(=O)oc2c1 1116612332 LGQUEQKWRHFKPJ-UHFFFAOYSA-N 435.436 4.470 5 20 IIBD Cc1ccc(C)c(OCCCCC(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c1 1324987082 SNXBTUHYWHILCP-UHFFFAOYSA-N 425.529 4.105 5 20 IIBD COc1ccc(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)c([N+](=O)[O-])c1 1345074723 MDMKPWDSSKCSJN-OAHLLOKOSA-N 428.493 4.181 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])c(C(=O)NC2(c3ccc(NC(=O)/C=C/C4CC4)cc3)CCC2)c1 1786158514 CPWHDYXVGNGTPZ-AWNIVKPZSA-N 448.523 4.375 5 20 IIBD COc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccn4C)cc3)CCC2)ccc1[N+](=O)[O-] 1787265797 FEBMHJDTKVTHFJ-UHFFFAOYSA-N 448.479 4.003 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@H]3CCCCO3)CCC2)cc1)c1cccc(F)c1[N+](=O)[O-] 1790699481 JECVQEMUGVHRQK-LJQANCHMSA-N 441.459 4.051 5 20 IIBD Cc1cc(Cl)ccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C2 1792733926 IHHKVADWVMTZCC-REPLKXPHSA-N 441.915 4.051 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2c1CCCC2 1803697281 FZYUFWUUECKLIU-BMUSQUIPSA-N 449.507 4.032 5 20 IIBD CC[C@H](C)CC(=O)N[C@H]1CCc2nc(NC(=O)c3c(F)ccc([N+](=O)[O-])c3C)sc2C1 1823692923 DAPFFUFUCONRJS-AAEUAGOBSA-N 448.520 4.161 5 20 IIBD CCC(C)(C)C(=O)N1CCCC12CN(C(=O)CCCc1cc(C)c(F)cc1[N+](=O)[O-])C2 1845986713 UJOIILCFMDQJED-UHFFFAOYSA-N 433.524 4.005 5 20 IIBD Cc1c(C(=O)N2CC3(CCCN3C(=O)C3(C)CCCCC3)C2)cc(Cl)cc1[N+](=O)[O-] 1846323869 QGAMHTLJQCAORI-UHFFFAOYSA-N 433.936 4.344 5 20 IIBD C[C@H](OC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 11493485 MWLLCTULYZWGDD-JTQLQIEISA-N 449.250 4.476 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 15408353 OUUJJSSMZMGYBN-UHFFFAOYSA-N 425.466 4.062 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1ccccc1 16827764 XOYOZVIGPPGLKQ-CYBMUJFWSA-N 427.486 4.001 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)O[C@H](C)C(=O)Nc2c(F)cccc2F)CC1 16925244 LJDGYUABYIGURB-CQSZACIVSA-N 447.438 4.293 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccccc1OC 22093956 SATOJKOEIVBOOT-ZDUSSCGKSA-N 427.486 4.001 5 20 IIBD CCCn1c(C)c(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])c2cc(OC)ccc21 26977239 AHVUHQPZWSUWAM-UHFFFAOYSA-N 425.441 4.072 5 20 IIBD C[C@@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(C(F)(F)F)cc1 29245861 JGQVEUSRHDTMNM-GFCCVEGCSA-N 437.374 4.179 5 20 IIBD C[C@@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(c1ccccc1)c1ccccc1 31385114 TWZDZNJPSXVTHI-GOSISDBHSA-N 431.492 4.052 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cccc(COc3cccc(F)c3)c2)cc1[N+](=O)[O-] 32596842 FGRHFOBBNGJFDO-UHFFFAOYSA-N 432.429 4.122 5 20 IIBD Cc1ccc(C)c(NC(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 57530737 MQFXLYXWUFQTQH-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 57569882 UVPBYAUCGTUXTI-UHFFFAOYSA-N 440.887 4.185 5 20 IIBD CCOc1cc2c(cc1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])O[C@@H](C)C2 64722002 YRFVSSLRXIFRRK-QWHCGFSZSA-N 434.876 4.054 5 20 IIBD COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1 65124294 DCHWUCGPYAKNDT-UHFFFAOYSA-N 442.475 4.429 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)cc1[N+](=O)[O-] 108049995 QGKRQEWQGITRGB-UHFFFAOYSA-N 446.312 4.149 5 20 IIBD C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(S(=O)(=O)N(C)C)cc1 237568406 GYJSNANIGLGMDW-HNNXBMFYSA-N 445.566 4.424 5 20 IIBD COc1ccc2[nH]cc(C3CCN(c4ccc(C(=O)NC5CC5)cc4[N+](=O)[O-])CC3)c2c1 301071936 FSRKDEMHKQZFDY-UHFFFAOYSA-N 434.496 4.361 5 20 IIBD CCc1cc(N2CCC[C@H](c3nnc4ccccn34)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 301110786 OCCVYXFRWSHXQE-KRWDZBQOSA-N 429.484 4.041 5 20 IIBD O=[N+]([O-])c1c(Nc2cccc(CS(=O)(=O)Cc3ccccc3)c2)nc2sccn12 301311720 HGDFVIFVJXWCJA-UHFFFAOYSA-N 428.495 4.163 5 20 IIBD O=C(Nc1ccc(CNc2c(Br)cncc2[N+](=O)[O-])cc1)c1ccncc1 301852442 AVEUVJHXHSHSHQ-UHFFFAOYSA-N 428.246 4.012 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCc3ccccc3[C@@H]2Cc2ccccc2)s1 302081417 LMWZDFMQGFOZCF-SFHVURJKSA-N 428.535 4.406 5 20 IIBD CC[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1cc(F)cc(Br)c1 302495274 UELHGCYFYXVFNK-AWEZNQCLSA-N 431.283 4.463 5 20 IIBD CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1cccc([N+](=O)[O-])c1 302928953 DJMUWRFQDWOJMX-UHFFFAOYSA-N 433.530 4.169 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)C(c1ccccc1)c1ccccc1 303145330 LOKOFNKYJTZUDT-ROUUACIJSA-N 431.492 4.050 5 20 IIBD O=C(Nc1ccc(Br)c(I)c1)c1ccc([N+](=O)[O-])cc1 383505629 CFIDBVPFMCUBMH-UHFFFAOYSA-N 447.026 4.214 5 20 IIBD O=C1CCc2cc(NC(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)c(F)cc2N1 426282071 QLHXYSBAFGARKR-UHFFFAOYSA-N 434.427 4.483 5 20 IIBD CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccc(Cl)cc1)c1cnccn1 426859488 QFEPNXIPXKCBRN-FQEVSTJZSA-N 446.294 4.352 5 20 IIBD C[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)NCCn1cc([N+](=O)[O-])cn1 426976482 XOCBTSYAORMJKE-HNNXBMFYSA-N 447.948 4.349 5 20 IIBD Cc1cscc1CNC(=O)c1ccc(C(=O)NCc2cscc2C)c([N+](=O)[O-])c1 427604253 OIRSWBWNLCMMGR-UHFFFAOYSA-N 429.523 4.195 5 20 IIBD CC[C@@]1(CO)CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C1 428525571 ODSYFIMUUADLTQ-JOCHJYFZSA-N 431.920 4.485 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 432399823 KNBVGKGMPWTZDD-INIZCTEOSA-N 444.557 4.444 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)c1ccc(N2CCCC2)nn1 435448768 ZYXKJIDRDMQQJK-UHFFFAOYSA-N 427.511 4.450 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1Br 437330555 YYAJEOYNSABJJS-DZGCQCFKSA-N 440.091 4.406 5 20 IIBD COCCOc1c(Cl)cccc1NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 438234074 KJWJKNXALQKTJA-UHFFFAOYSA-N 449.891 4.349 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N2CCC[C@H]2c2ccccc2)cc1[N+](=O)[O-] 439244160 GQIRNXLGHSJRRT-INIZCTEOSA-N 425.304 4.192 5 20 IIBD Cc1sc(S(=O)(=O)Nc2ccc(F)cc2OCCC(F)(F)F)cc1[N+](=O)[O-] 443527831 HHJNGVWAWJSJIC-UHFFFAOYSA-N 428.385 4.236 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1ncc(Cc2ccc(F)c(F)c2)s1 444818900 QKEKZRMXHWGDSK-UHFFFAOYSA-N 444.423 4.118 5 20 IIBD Cc1cc(NC(=O)c2cccc(F)c2)sc1-c1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 445614893 DRNPYRSTKQHYRT-UHFFFAOYSA-N 442.432 4.115 5 20 IIBD O=C(Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])c1cn(Cc2ccccc2)nn1 446429407 JDVPOHIUJZBZFZ-UHFFFAOYSA-N 429.436 4.066 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2F)C2CC2)c(C(F)(F)F)c1 447037481 IULOHIBRTSUKMX-UHFFFAOYSA-N 436.358 4.245 5 20 IIBD Cc1ccc(Sc2ccc(CN3CCC4(CC3)CCN(C)C4=O)cc2[N+](=O)[O-])cc1 447090613 LYHPMFWEAOJOOI-UHFFFAOYSA-N 425.554 4.499 5 20 IIBD Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NCCc1ccccc1[N+](=O)[O-] 460505588 YLHDFYZBRNYUIR-UHFFFAOYSA-N 427.457 4.329 5 20 IIBD C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 460574055 MFICPISUBUCZHV-ZDUSSCGKSA-N 436.281 4.015 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(F)cc2F)c2ncccc12 464204501 KUMXDUBPZUPVDJ-QGZVFWFLSA-N 433.436 4.337 5 20 IIBD CCOCCOCc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c1C 465332050 FCMOFHIKSPABOT-UHFFFAOYSA-N 437.290 4.471 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 466282944 KNUGNTGUXPTIEX-OAQYLSRUSA-N 439.493 4.218 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(S(=O)(=O)C(C)(C)C)cc1 468085538 CSRQIPDXARDSMX-GFCCVEGCSA-N 440.905 4.226 5 20 IIBD CC(C)(C)OC(=O)CCc1cccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1 470112210 CRJKBWPCPCEEQL-UHFFFAOYSA-N 436.468 4.307 5 20 IIBD CN(Cc1cc(Br)ccc1Cl)C(=O)NCCc1ccccc1[N+](=O)[O-] 470364286 TUULTSHVDOABQO-UHFFFAOYSA-N 426.698 4.395 5 20 IIBD COCCN(Cc1ccc(C)o1)C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 470765331 MBCPCXNYOAWREY-UHFFFAOYSA-N 432.420 4.282 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)cc1OC 471625069 FSGXKUHZXCBJSO-UHFFFAOYSA-N 442.403 4.321 5 20 IIBD COc1cc(CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cc(Br)c1OC 475640373 RAWYIVJPFOARCS-UHFFFAOYSA-N 438.278 4.313 5 20 IIBD O=C(N[C@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 475881581 NZZDPAIOFBMKCQ-LJQANCHMSA-N 426.270 4.466 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 478309525 MBRLKVQBMRIPJR-CYBMUJFWSA-N 425.432 4.101 5 20 IIBD Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 479740544 FODPFQDSJDHEOS-UHFFFAOYSA-N 433.468 4.014 5 20 IIBD C[C@@H]1CN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@]2(CCCOC2)O1 482448626 GOVCPYMPOJHPBN-KBMIEXCESA-N 448.523 4.217 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O 482592020 MGEMVQYKBMZWSY-LJQANCHMSA-N 445.516 4.013 5 20 IIBD CCOC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)c1cc(SC)ccc1[N+](=O)[O-] 484605985 NFUGLUJVUXHJEU-HXUWFJFHSA-N 438.505 4.374 5 20 IIBD Cc1cc(S(C)(=O)=O)cc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1C 484860656 JHJPTSSEXQZTCB-UHFFFAOYSA-N 445.541 4.104 5 20 IIBD O=C(N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1sc(Br)cc1[N+](=O)[O-] 486433108 IVDBZMLJPFZELV-WCQYABFASA-N 425.304 4.317 5 20 IIBD COC(=O)[C@@H](NC(=O)c1cccc(SC)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 486551181 RMRMFPMSBAPNLE-AWEZNQCLSA-N 429.281 4.268 5 20 IIBD O=C(c1cc(-c2cccs2)n(-c2ccccc2)n1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 486993039 CEUNSKFRDWMAIO-UHFFFAOYSA-N 448.508 4.183 5 20 IIBD COc1cccc(Oc2ccc(CNC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)cn2)c1 487728864 QFATTYCAMNZQBG-UHFFFAOYSA-N 445.378 4.322 5 20 IIBD CCOc1cc2c(cc1CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)O[C@@H](C)C2 487761610 QNJNANJZQHKTSW-HNNXBMFYSA-N 425.485 4.191 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)cc1[N+](=O)[O-] 488052027 ROEVWDXMVBDRBZ-ZDUSSCGKSA-N 435.933 4.348 5 20 IIBD Cc1ccc(-n2cnc3c2CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C3)cc1 489434261 VBZQNSSAOKKTLQ-UHFFFAOYSA-N 441.285 4.050 5 20 IIBD CCCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H](C)C(=O)Nc1ccccc1C 490102263 YMNOPNMGSHKIQT-GOSISDBHSA-N 426.517 4.279 5 20 IIBD O=C(COc1ccccc1OCC(F)(F)F)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 498141191 WCMOWUFTAUHRIK-GOSISDBHSA-N 442.415 4.189 5 20 IIBD COC(=O)CNC(=O)c1ccc(N[C@H](CC(C)(C)C)c2ccc(F)cc2)c([N+](=O)[O-])c1 498864168 FMQMJVRZVPBBPT-GOSISDBHSA-N 431.464 4.226 5 20 IIBD C/C(=C/c1ccccc1C(F)(F)F)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 500432091 XORWGMYJYFNAES-OWBHPGMISA-N 428.432 4.080 5 20 IIBD O=C(NCc1ccc(N2CCc3ccccc3C2)nc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 501352152 RSLWVWUVOJIQFJ-UHFFFAOYSA-N 443.507 4.057 5 20 IIBD O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 501461221 JMVBFPNMFSGQBI-CQSZACIVSA-N 426.473 4.114 5 20 IIBD Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CCCN([C@@H](C)c2ccccc2F)C1=O 505403471 PLEKODRXXYWWLR-GUYCJALGSA-N 433.867 4.178 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccc(Cn3cncn3)cc2)cc1[N+](=O)[O-])c1ccccn1 506201977 GLUBBMDBCPMTLW-MRXNPFEDSA-N 443.467 4.055 5 20 IIBD COc1cc([C@@H](C)NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])ccc1OC1CCCC1 507377101 CHGKDVJMDKEROP-OAHLLOKOSA-N 434.514 4.273 5 20 IIBD Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 510038678 KCFDYCJWUBZQCX-UHFFFAOYSA-N 432.274 4.119 5 20 IIBD CN(CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 512264229 UVDRQVVCYZQLNC-UHFFFAOYSA-N 444.509 4.159 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cnn(-c2ncccc2Cl)c1C(F)F 512978270 ABSIACMQJDMXNK-UHFFFAOYSA-N 435.818 4.081 5 20 IIBD CCOC(=O)c1sc(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)nc1C 514620527 QKXHQTJAGSLHQY-BETUJISGSA-N 446.529 4.271 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cc(C(=O)Nc2ccccc2)ccc1C 515444240 RYUCEBJNLABITM-UHFFFAOYSA-N 434.452 4.215 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(-c3ccc(COc4ccccc4)cc3)no2)ccc1-n1cncn1 517629433 GZYNFWCUGGGIDV-UHFFFAOYSA-N 440.419 4.472 5 20 IIBD CCOc1cc(NC(=O)NCc2ncc(-c3ccccc3)o2)c([N+](=O)[O-])cc1OCC 517784886 BKBXHEIPWMZVAH-UHFFFAOYSA-N 426.429 4.369 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3cccc(-c4nccn4C)c3)cc2)c(C)c1[N+](=O)[O-] 518305842 SZTPBCUYLUMMFB-UHFFFAOYSA-N 430.468 4.109 5 20 IIBD COc1ccc2oc([C@H](C)NC(=O)c3nnn(-c4cccc([N+](=O)[O-])c4)c3C)c(C)c2c1 518557787 PTMPOWLNFCWOMX-ZDUSSCGKSA-N 435.440 4.038 5 20 IIBD C[C@@H](C(=O)Nc1ccc(N2CCN(C)CC2)cc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 520485525 WZKMNFIZFWBRQK-CQSZACIVSA-N 436.434 4.108 5 20 IIBD Cc1ccc([C@H]2CCCN2C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1C 521260735 IHLMUDNUXRIQLZ-QGZVFWFLSA-N 433.411 4.115 5 20 IIBD Nc1c(C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc(F)cc1[N+](=O)[O-] 521796221 IQCSBLLUJLUPAA-UHFFFAOYSA-N 441.290 4.017 5 20 IIBD Cc1nc(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)nc2ccccc12 522544149 VYEAQJJCKXBRMB-INIZCTEOSA-N 442.479 4.345 5 20 IIBD Cc1ccc(NC(=O)C(=O)N[C@@H]2CCOc3c(-c4ccccc4)cccc32)cc1[N+](=O)[O-] 523229575 RCGPFPOPHUKPNW-HXUWFJFHSA-N 431.448 4.149 5 20 IIBD Cc1nn(CCC(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c(C)c1[N+](=O)[O-] 523253078 NVPUHHUYLZOXAD-UHFFFAOYSA-N 441.875 4.343 5 20 IIBD C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)CN1CCOCC1 523394185 KQNYNXDDJRIJLH-OAHLLOKOSA-N 449.960 4.098 5 20 IIBD C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(NC(=O)NC2CC2)cc1 523492029 XQQFTWWBNNTXSF-NSHDSACASA-N 447.289 4.132 5 20 IIBD C[C@H](NC(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1)c1cccc([N+](=O)[O-])c1 524153240 RNRSIKTVPLEGET-INIZCTEOSA-N 439.493 4.451 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)ccc1[N+](=O)[O-] 524549854 SKLRRBOJOYLQBL-UHFFFAOYSA-N 435.845 4.203 5 20 IIBD C[C@@H](c1ccccc1)N1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 531024714 DPDHEZIMORYZIU-HNNXBMFYSA-N 446.345 4.242 5 20 IIBD CN(C(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)c1cccc([N+](=O)[O-])c1 532826899 BGHXAMIXKASFIG-UHFFFAOYSA-N 431.374 4.348 5 20 IIBD NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 538510274 XLPGDRRRUFYYTB-HUUCEWRRSA-N 429.420 4.009 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)NCC(F)(F)F)CC1 538586072 XAMGVQOKBQKTER-UHFFFAOYSA-N 447.479 4.018 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)[C@@H](C)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] 540208580 VFZDFPRKTGFTKS-YMTOWFKASA-N 449.348 4.010 5 20 IIBD C[C@H](NC(=O)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2)c1cccc([N+](=O)[O-])c1 540830643 OKAOZEXDSIFPIR-GKCIPKSASA-N 445.466 4.244 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N(CCc1ccccn1)Cc1ccc(F)cc1 541524442 GRIZBWUGFNFPJH-UHFFFAOYSA-N 438.459 4.092 5 20 IIBD C[S@@](=O)Cc1noc(C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)n1 545752563 SRLAJFFNUGFUOA-IFJZDFIXSA-N 440.506 4.249 5 20 IIBD O=c1c2ccccc2n(Cc2nc(-c3cccc(Cn4ccnc4)c3)no2)c2ccccc12 546284860 OSOBIDIOMZLOBY-UHFFFAOYSA-N 433.471 4.498 5 20 IIBD C[C@@H](Sc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C)C(=O)Nc1cccc2ccccc12 546526046 BHKVJCMFGDTYST-CYBMUJFWSA-N 434.477 4.114 5 20 IIBD Cc1c(-c2nc(Cc3c[nH]c4cc(Cl)ccc34)no2)nnn1-c1cccc([N+](=O)[O-])c1 547100667 VVUHRQKDPFFWIH-UHFFFAOYSA-N 435.831 4.259 5 20 IIBD CC(=O)NC1CCC(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 549204776 ROYVLKXTSBVULG-UHFFFAOYSA-N 444.919 4.037 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)Nc2cccc3c2CNC3=O)cc1[N+](=O)[O-] 553703645 IVNKSKIZPXEBNO-UHFFFAOYSA-N 447.472 4.043 5 20 IIBD O=C(NC[C@@H](CO)c1ccccc1Cl)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 564025201 BGLGEPVMURQVSE-LBPRGKRZSA-N 442.849 4.119 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(C(C)(C)NC(=O)c2ccccc2)no1 567084477 VXGKPXCUWHFOQD-LBPRGKRZSA-N 430.848 4.436 5 20 IIBD C[C@@H](C(=O)NCCc1c[nH]c2cccc(Br)c12)c1ccc([N+](=O)[O-])cc1F 573888349 OJMKFQUPXHRHQA-LLVKDONJSA-N 434.265 4.440 5 20 IIBD C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 588233239 KHPHIUIQFKPIFK-HDICACEKSA-N 438.528 4.419 5 20 IIBD COc1ccc(CN2C[C@H](N3CCCC3)C[C@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 589188816 QYCXGVBOOFRAHW-XMSQKQJNSA-N 425.529 4.241 5 20 IIBD O=C(NCc1ccnc(Oc2ccccc2)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 603666288 ZGKONDHXTMKGGB-UHFFFAOYSA-N 432.480 4.315 5 20 IIBD COc1ccc(CSc2nnc(N3CCCCC3)n2Cc2ccco2)cc1[N+](=O)[O-] 603724275 MYHNFMQOZHUIKI-UHFFFAOYSA-N 429.502 4.119 5 20 IIBD C[C@@H]1CN(Cc2ccccc2NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)O1 604448036 DFHANQHNLFIEHJ-BZUAXINKSA-N 447.919 4.263 5 20 IIBD CC(=O)NC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CC1 604518200 FTDVEYYALSWRQJ-UHFFFAOYSA-N 433.917 4.140 5 20 IIBD CC(C)(C(=O)Nc1nc(-c2ccc(Br)s2)cs1)n1cc([N+](=O)[O-])cn1 608802959 QCWAIEYCOCTCEY-UHFFFAOYSA-N 442.320 4.113 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N(Cc1ccc2c(c1)CCO2)C1CCCC1 609064889 RCPGCOYAJBNIMC-UHFFFAOYSA-N 432.480 4.300 5 20 IIBD CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 609772908 JKHJBNIIJCWXBD-CVEARBPZSA-N 426.473 4.156 5 20 IIBD Cc1ccccc1C1(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)CCOCC1 610041904 KVZUBSCJBVEAED-UHFFFAOYSA-N 433.302 4.144 5 20 IIBD C[C@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCCN(C(=O)c2ccccc2)C1 610224407 PWTGUXDCSXJSKN-NRFANRHFSA-N 433.411 4.077 5 20 IIBD O=C1CCCN1C[C@H](NCc1c(F)cccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 611379355 JMRFDEJUKXZMJW-KRWDZBQOSA-N 425.382 4.206 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)CCc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 725978572 OVFDFKLKQMSQDV-UHFFFAOYSA-N 441.267 4.415 5 20 IIBD CC(C)c1nnc(COC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)o1 726995484 PZFYYOXEJPIPSF-UHFFFAOYSA-N 447.451 4.240 5 20 IIBD O=C(OCc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 728991029 BGMYQIMXWBJDCB-KRWDZBQOSA-N 441.242 4.389 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CSC[C@H]2C(=O)OCc2ccccc2[N+](=O)[O-])cc1 730334780 UURSQHJJLZJTSH-IBGZPJMESA-N 428.510 4.151 5 20 IIBD CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)OCCOc1ccccc1[N+](=O)[O-])O[C@@H](C)C2 730654492 WOSZYDHQYRIECW-QILLFSRXSA-N 427.453 4.043 5 20 IIBD O=C(/C=C\c1nc2ccccc2s1)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730704750 RPWIWOVEEMSKIH-QYMJWVLRSA-N 437.477 4.066 5 20 IIBD O=C(Nc1nnc(Cc2ccccc2F)s1)c1ccc(Br)c([N+](=O)[O-])c1 730984286 ZXBRTTNDGLLFIS-UHFFFAOYSA-N 437.250 4.191 5 20 IIBD O=C(CN1CCC([C@@H](O)c2ccc(Cl)cc2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] 731481798 DFJNAOKELCQQEY-FQEVSTJZSA-N 438.311 4.286 5 20 IIBD COCc1nc(OC)c2c(C)c(C(=O)OCc3ccc(Cl)cc3[N+](=O)[O-])sc2n1 734886337 ULVXLULJIPIYEL-UHFFFAOYSA-N 437.861 4.073 5 20 IIBD CC(C)OC(=O)NCc1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 735017831 AVYCXXYOCLJQCZ-UHFFFAOYSA-N 440.500 4.085 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 735644241 LWOQAPNVLVSIII-OAHLLOKOSA-N 441.292 4.331 5 20 IIBD COc1cc(C(=O)OCC(=O)c2ccc(F)c(Cl)c2)c([N+](=O)[O-])cc1OC(F)F 736753202 AMNNRCPSDSGDDM-UHFFFAOYSA-N 433.722 4.037 5 20 IIBD Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 742866115 WPCIBWXPDUVDFQ-JOCHJYFZSA-N 437.540 4.367 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3cc4c(C)nn(C)c4s3)CC2)ccc1[N+](=O)[O-] 744204039 NOVLEAFPTHRZIF-UHFFFAOYSA-N 444.513 4.076 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 744556714 CRKINIMKWSWKFL-INIZCTEOSA-N 447.451 4.424 5 20 IIBD CC(C)c1ccc(C(=O)[C@H](C)OC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 745029867 QHCBODKMCMZAPQ-YOEHRIQHSA-N 444.509 4.199 5 20 IIBD C[C@H](CC(=O)c1cccc(Br)c1)C(=O)OCCOc1ccccc1[N+](=O)[O-] 745228014 XEQPZKSDUAFFKZ-CYBMUJFWSA-N 436.258 4.188 5 20 IIBD COc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 745569177 UZTOMNVAEPANAU-VIFPVBQESA-N 446.765 4.460 5 20 IIBD CCCN(Cc1c(F)cccc1Cl)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O 747077110 RISIOPVCJFIMJP-UHFFFAOYSA-N 430.867 4.481 5 20 IIBD Cc1c(C(=O)O[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748952680 YYHLRDRQQNTOSL-ZHHULCEESA-N 430.457 4.451 5 20 IIBD Cc1ccc(-c2nc(CC(=O)OCC3CCN(c4ncccc4[N+](=O)[O-])CC3)cs2)o1 749359741 XIPMODNXPNJRQW-UHFFFAOYSA-N 442.497 4.017 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cc(F)ccc1I 751309694 IDNWYLNFBKXTES-UHFFFAOYSA-N 448.619 4.264 5 20 IIBD CCOC(=O)c1nc(-c2ccccc2)oc1COC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] 752554853 PQPOJJBIMOMQSR-UHFFFAOYSA-N 428.372 4.231 5 20 IIBD CO[C@H]1Cc2ccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3Cl)cc2C1 753039388 AUWIOWOWXOQVNZ-ZDUSSCGKSA-N 425.666 4.377 5 20 IIBD C[C@H]1CCN(C(=O)COC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c2ccccc2S1 755063162 IOGNJYXWCLNORB-UONOGXRCSA-N 432.473 4.298 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc1[N+](=O)[O-] 755742452 MOIVYBPPMXPXLD-UHFFFAOYSA-N 443.872 4.067 5 20 IIBD C[C@@H](CSc1ccc(F)cc1)C(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 756256480 PUPMKIUEGOZEPU-HNNXBMFYSA-N 433.505 4.317 5 20 IIBD C[C@@H](OC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C(=O)Nc1ccc(OC(F)(F)F)cc1 756768632 PAPRWEMLJBBAGS-SNVBAGLBSA-N 437.330 4.159 5 20 IIBD Cc1nc(COC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)oc1-c1ccc(Cl)cc1 757042491 PJWZJKUFJGUELE-UHFFFAOYSA-N 426.816 4.305 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(NC(=O)c3cccs3)c2)c1F 760337602 IXZVYDHJRWOKHO-UHFFFAOYSA-N 435.458 4.157 5 20 IIBD O=C(Oc1ccc2nccnc2c1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 760750971 VWRUXYVMRIVODX-UHFFFAOYSA-N 446.385 4.379 5 20 IIBD CC(C)NC(=O)Nc1cccc(-c2noc([C@@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)n2)c1 761739084 JUGUEMDGYROQQH-SFHVURJKSA-N 436.428 4.040 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 763091583 UIBPEKPAULITNR-JESXBGFQSA-N 430.501 4.470 5 20 IIBD CC(C)c1ccc(C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)C2)cc1 763821118 RRZNZBSFKJZRJF-HXUWFJFHSA-N 437.540 4.260 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)c2nc3cc(Br)cnc3[nH]2)c1 764631452 GVWHBOLJXTWCLM-QMMMGPOBSA-N 437.275 4.269 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CCC[C@@H](C3OCCO3)C2)cc1 769308926 CBUDYFIILHRLTM-LJQANCHMSA-N 434.496 4.032 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1 769448344 UIOHKOZMANBEHM-UHFFFAOYSA-N 427.457 4.149 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)O[C@H](c1ccccc1)c1nccs1 770179448 WHNQOVNTDFNCPP-LJQANCHMSA-N 439.449 4.072 5 20 IIBD Cc1c(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)nnn1-c1cccc(Cl)c1 770329838 AMOJZWMGUPXQBW-UHFFFAOYSA-N 436.653 4.152 5 20 IIBD CC(C)(c1ccccc1)[C@@H](OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F 771368354 SFZBBUAFPGTBHF-LJQANCHMSA-N 438.402 4.167 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2cccn2[C@@H](C)Cc2ccccc2)c([N+](=O)[O-])c1 773718312 HDGOIEIENZVSEU-INIZCTEOSA-N 437.452 4.004 5 20 IIBD Cc1ccc2nc([C@H]3CCCN(CC(=O)Nc4cc(Cl)ccc4[N+](=O)[O-])C3)[nH]c2c1 774762275 DDIRTCPXPQTRIB-AWEZNQCLSA-N 427.892 4.251 5 20 IIBD CSc1cccc(C(=O)OCC(=O)Nc2ccc(SC(F)F)cc2)c1[N+](=O)[O-] 777073645 KOOWSXKRDKHATK-UHFFFAOYSA-N 428.438 4.427 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@H](C(=O)OCc2ccc([N+](=O)[O-])cc2)CC1 777887180 YXDHLBDJZSTJAL-IYARVYRRSA-N 442.424 4.096 5 20 IIBD Cc1ccc(-c2nc(CC(=O)O[C@@H]3CCN(c4ccc([N+](=O)[O-])cc4F)C3)cs2)o1 778803616 AQGUSFACJQRYEF-OAHLLOKOSA-N 431.445 4.123 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] 780047524 PXNLTXXHPONXQY-LJQANCHMSA-N 440.887 4.264 5 20 IIBD C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1ccc(I)c([N+](=O)[O-])c1 780277328 LNOUFLZEBWYSSV-WPRPVWTQSA-N 442.175 4.002 5 20 IIBD CC(C)(C)OC(=O)N1Cc2ccc(CNC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2C1 781078138 WPEUWSHNJLIFHO-UHFFFAOYSA-N 431.876 4.429 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2sc(C)nc2c1 781408353 AMLOFIORXBPMEV-MRXNPFEDSA-N 444.538 4.003 5 20 IIBD CCO[C@@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)O[C@H](C)c2ccccc2[N+](=O)[O-])C1(C)C 784847421 AFTHPHQCKNPEOS-UZSYQUHHSA-N 436.505 4.298 5 20 IIBD COc1ccc(COC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)cc1[N+](=O)[O-] 785547859 OEJTUTZWOLUMTM-UHFFFAOYSA-N 444.447 4.267 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@@H]1C[C@@H](O)c1cccs1 787340561 HDLVMGHJXZPSCS-GDBMZVCRSA-N 443.447 4.473 5 20 IIBD Nn1c(SCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1Cl 789035003 VCKYLBRFVKNEOO-UHFFFAOYSA-N 441.256 4.074 5 20 IIBD CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C)c1F)C(=O)Nc1cccc(N2CCCC2)c1 790420043 HKNBNKAVHLCMHM-HXUWFJFHSA-N 442.491 4.180 5 20 IIBD CN(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 790924185 WPMAAYMXKPPFPT-HOTGVXAUSA-N 431.222 4.110 5 20 IIBD COc1ccc(OC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)cc1[N+](=O)[O-] 792113703 OGURRPBPVITSST-UHFFFAOYSA-N 440.412 4.271 5 20 IIBD Cc1cccc(Cl)c1NC(=O)COC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 792472046 GMMWBWUJBZEZKS-UHFFFAOYSA-N 441.665 4.423 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1nc(Br)ccc1Br 792525309 UXVCHLGIXDLCIK-UHFFFAOYSA-N 429.068 4.384 5 20 IIBD CN(CC(=O)N(Cc1ccco1)Cc1ccco1)c1cc(Br)ccc1[N+](=O)[O-] 795040536 XBRPARSSSFBUTQ-UHFFFAOYSA-N 448.273 4.209 5 20 IIBD O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)c1 795332714 VZHHWIRQGXOGFI-UHFFFAOYSA-N 438.824 4.116 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])c(C)o1 799621995 BQMNKKJVMSGFPJ-UHFFFAOYSA-N 432.479 4.075 5 20 IIBD C[C@@H](OC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 801895035 DTYNAUXQHVBVLQ-RFAUZJTJSA-N 432.301 4.334 5 20 IIBD Cc1cc(N(C)C)cc(C)c1NC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] 802850984 QJQFGGKGTUQRIT-UHFFFAOYSA-N 435.322 4.115 5 20 IIBD O=C(C[C@@H](O)c1ccc(Cl)cc1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 803545704 LXVGTJAXROIBJL-QGZVFWFLSA-N 439.693 4.019 5 20 IIBD Cc1ccc(NC(=O)C2CCN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC2)nc1 812919619 OATOPJCLRSLHFM-UHFFFAOYSA-N 437.283 4.096 5 20 IIBD Cc1ccc(C)c(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3F)o2)c1 849129214 FUVPJGIWQKYXPH-UHFFFAOYSA-N 432.433 4.044 5 20 IIBD CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 871590532 YWAGTSXWDYLQNI-UHFFFAOYSA-N 437.886 4.028 5 20 IIBD Cc1cccc(-n2ncc(C(=O)O[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2C)c1 900173321 BPQUQESNXWVVJF-CQSZACIVSA-N 442.859 4.235 5 20 IIBD O=[N+]([O-])c1ccc(-n2ccc(-c3nc(-c4ccc(N5CCCCC5)nc4)no3)n2)c(F)c1 904432091 OARNLCYDXDOMKH-UHFFFAOYSA-N 435.419 4.022 5 20 IIBD C[C@@H](OC(=O)c1nc(-c2ccccc2)n2c1CCCCC2)C(=O)Nc1ccccc1[N+](=O)[O-] 914915854 DCVWXNHYRGDPTA-MRXNPFEDSA-N 448.479 4.369 5 20 IIBD CC(C)c1noc(CCC(=O)Oc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)n1 915132282 DTOKLKGCEHAABI-UHFFFAOYSA-N 449.419 4.413 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C 917278031 YRLHNZCALVYNCN-UHFFFAOYSA-N 429.860 4.345 5 20 IIBD C[C@H](OC(=O)c1ccc(O[C@H](C)c2ccccc2)nc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 919214891 NGBFOSNTCHIXEH-CVEARBPZSA-N 435.436 4.314 5 20 IIBD O=C(OCC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1F 919568319 JEMDZYVADLBYNU-NRFANRHFSA-N 440.452 4.127 5 20 IIBD O=C(Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1)c1ncoc1[C@@H]1CCCO1 1116070402 LQELQBSNSXQUFL-SFHVURJKSA-N 448.387 4.427 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ccc(-n3cccn3)c(F)c2)cc1)c1cccc([N+](=O)[O-])c1 1251649105 FXXNDRZQXOZFDG-UHFFFAOYSA-N 446.394 4.391 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(c1cc(C3CC3)nc(N3Cc4ccc([N+](=O)[O-])cc4C3)n1)C2 1258098399 RKUQKRMJMWSPDN-UHFFFAOYSA-N 444.451 4.211 5 20 IIBD CCC(C)(C)C1CCC2(CC1)NC(=O)N(Cc1nnc(-c3cccc([N+](=O)[O-])c3)o1)C2=O 1322197836 PLBZRBMEWDCJFJ-UHFFFAOYSA-N 441.488 4.062 5 20 IIBD Cc1cc(C)n(-c2ccc(Cl)c(-c3nnc(COc4ccccc4[N+](=O)[O-])o3)n2)n1 1322399813 WZBADWQYXMBIMZ-UHFFFAOYSA-N 426.820 4.075 5 20 IIBD Nc1c(C(=O)N[C@@H]2CCSc3c(F)cccc32)cc(Br)cc1[N+](=O)[O-] 1322729209 MBPLXDQJOIPGJM-GFCCVEGCSA-N 426.267 4.046 5 20 IIBD CS(=O)(=O)C[C@H](NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1ccccc1 1323969111 WUJNZRFNBKGLKU-SFHVURJKSA-N 434.901 4.384 5 20 IIBD Cc1noc(-c2ccc(C(=O)OCCOc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)cc2)n1 1357557171 SWXZWUNVJUFXBK-UHFFFAOYSA-N 437.330 4.208 5 20 IIBD COCCn1c(Cc2ccccc2Cl)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 1521794189 CAJLSPVMLOQFRX-UHFFFAOYSA-N 441.919 4.246 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@H]3CCC(F)(F)C3)cc2)CCC1)c1ccc([N+](=O)[O-])o1 1785798163 QRRBWWTYTXTCHL-ZDUSSCGKSA-N 433.411 4.371 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccc(C2(NC(=O)c3cc(F)c[nH]3)CCC2)cc1 1786208082 JKHZVHHLLYUJEW-SOFGYWHQSA-N 438.415 4.116 5 20 IIBD Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)C(C)(F)F)cc3)CCC2)cc1[N+](=O)[O-] 1787933853 HBJXGGHCDJWKNA-UHFFFAOYSA-N 431.439 4.235 5 20 IIBD O=C(/C=C/C1CC1)NC1(c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3F)cc2)CCC1 1791182668 VCGWUFWLDWQEJR-NYYWCZLTSA-N 437.471 4.377 5 20 IIBD C/C=C(\C)C(=O)Nc1ccc(C2(NC(=O)Cc3cc([N+](=O)[O-])ccc3F)CCC2)cc1 1791216870 OOURBKZBAVMAQN-CRKCGEKBSA-N 425.460 4.377 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/C(C)C)CC1 1830729606 SYKGEXXJODSSMV-CLNPQZTCSA-N 445.535 4.488 5 20 IIBD CC(C)CC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1832903334 ZRPLDTSBHHDSDG-RQWLHQTBSA-N 427.545 4.274 5 20 IIBD Cc1ccc(F)cc1C(=O)N1CCCC12CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1C)C2 1841143434 WKCXZXABBITAHH-UHFFFAOYSA-N 445.878 4.135 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 3444122 YTQCCTIFGMFOFT-UHFFFAOYSA-N 431.514 4.029 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc2c(s1)-c1ccccc1OC2 9817893 CVIQKDXNARPDLP-UHFFFAOYSA-N 440.433 4.020 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cnn(Cc3ccccc3)c2)cc1)c1cccc([N+](=O)[O-])c1 15604454 NVWYTFVFYVBDKR-UHFFFAOYSA-N 442.431 4.311 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccc(-c2ccccc2)nc1C 16166276 OIJZFRYJPGYSRY-OAHLLOKOSA-N 435.436 4.158 5 20 IIBD COC(=O)[C@@H](C)NC(=O)c1ccc(N[C@H](C)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 26774846 QNGHJXNCGGGAAF-VXGBXAGGSA-N 439.390 4.078 5 20 IIBD CC(C)(NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccc(Br)cc1 32400174 BPPTTXYWWYNYJZ-UHFFFAOYSA-N 429.274 4.208 5 20 IIBD Cc1sc2nc(CS[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)[nH]c(=O)c2c1C 36774777 RRNANHZBEZBXSG-GFCCVEGCSA-N 432.527 4.078 5 20 IIBD CN(Cc1cc(Br)ccc1F)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 63736405 MDECZZLTLRNWEN-UHFFFAOYSA-N 436.281 4.369 5 20 IIBD CS(=O)(=O)Cc1ccc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1 64091431 XSBNRYHKFBJBPD-UHFFFAOYSA-N 439.493 4.004 5 20 IIBD Cc1c(C(=O)NCc2ccc(OC3CCCCC3)cc2)nnn1-c1cccc([N+](=O)[O-])c1 72060788 KZPXVRWWSQDBGQ-UHFFFAOYSA-N 435.484 4.125 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F 107885934 WHAMNFMKAYBVSK-UHFFFAOYSA-N 449.341 4.476 5 20 IIBD Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 108176288 GJAYFHFSSQSZRP-UHFFFAOYSA-N 447.539 4.442 5 20 IIBD Cc1nn(C)c(C(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)c1[N+](=O)[O-] 195595643 BYRLEVZKUDDBDT-UHFFFAOYSA-N 436.291 4.083 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CNCC3(CN4CCOCC4)CCCCC3)cs2)c1 238005746 VCRICZWBXWAJGC-UHFFFAOYSA-N 430.574 4.091 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NCc1ncc(-c2ccccc2)o1 301089398 OACDRVCNVULKEO-UHFFFAOYSA-N 427.360 4.155 5 20 IIBD Cc1cccc([C@@H](Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])c2ccccn2)c1 301862333 DYXAZNIMZFGYHA-JOCHJYFZSA-N 427.464 4.464 5 20 IIBD CCC(CC)(CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N[C@H](C)c1ccccc1 303431527 CFOMKMMRSZLNIZ-GOSISDBHSA-N 435.528 4.420 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@@H]1CCCO[C@H]1c1ccccc1 409564311 YILALGRZWWXKPO-DCFHFQCYSA-N 426.516 4.439 5 20 IIBD CN(c1ccccc1)c1ccc(CNC2CCN(C(=O)c3ccncc3)CC2)cc1[N+](=O)[O-] 409728297 OTTMRDFGAUKHHC-UHFFFAOYSA-N 445.523 4.152 5 20 IIBD Cc1noc(C[C@@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c2ccccc2)n1 426277029 JVDPNKAGRZTFNA-QGZVFWFLSA-N 449.389 4.088 5 20 IIBD O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 428532249 BLTCGOALHJUUTE-JOCHJYFZSA-N 446.507 4.026 5 20 IIBD O=C(Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1Cl 435367873 BMZZXLLKTPRTLY-QGZVFWFLSA-N 425.876 4.144 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCN(c2ccccc2F)CC1 435813466 IKPWZMBFXSICIU-UHFFFAOYSA-N 437.421 4.061 5 20 IIBD CCOC(=O)c1cc(S(=O)(=O)Nc2cc(C)c(C)c3ncccc23)cc([N+](=O)[O-])c1C 437326162 NCWAWESIHRAQJT-UHFFFAOYSA-N 443.481 4.046 5 20 IIBD Cc1c(NC(=O)N[C@@H](CO)c2cccc(Cl)c2F)cc(Br)cc1[N+](=O)[O-] 439409801 NINWJEGPMCJFTK-ZDUSSCGKSA-N 446.660 4.313 5 20 IIBD Cc1nn(CCC(=O)N2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)c(C)c1[N+](=O)[O-] 439658669 OYBSCFKGPZANKU-OAHLLOKOSA-N 441.315 4.175 5 20 IIBD CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 442519544 YUNFXEHJCAHVIB-BEFAXECRSA-N 447.438 4.211 5 20 IIBD COc1cccc(OC)c1OC1CCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 443951662 KQQXBFBKNGLWOF-UHFFFAOYSA-N 429.473 4.304 5 20 IIBD CC(C)(C)Oc1cccc(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)n1 444290734 RKKIMYBKIQILOC-UHFFFAOYSA-N 437.446 4.462 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1 444927528 TUQCTOKISCFLHD-UHFFFAOYSA-N 444.451 4.173 5 20 IIBD CC(C)n1ncc2c(-c3nc(-c4c([N+](=O)[O-])ncn4C)no3)cc(-c3cccs3)nc21 445580252 QDTMCVRNFWBXHG-UHFFFAOYSA-N 436.457 4.099 5 20 IIBD CSc1cccc(C(=O)Nc2ncnc3c2c(C)c(C)n3C[C@H]2CCCO2)c1[N+](=O)[O-] 445960333 PBKRKUZANUFIGM-CQSZACIVSA-N 441.513 4.110 5 20 IIBD CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 447673552 YVSMHKGCMHWCHK-NWDGAFQWSA-N 438.397 4.165 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](Cc1ccccc1C(F)(F)F)C(C)(C)C 461272623 QBGZMFKDHFARJY-MRXNPFEDSA-N 426.439 4.282 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(NC(=O)c2ccccn2)c1 462440592 LNSYKXVSQPAJRC-LJQANCHMSA-N 432.480 4.127 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1cc(Br)cs1 462532168 XVZZOENFVYMYOG-UHFFFAOYSA-N 446.131 4.204 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 462611579 ATNILJDHEQZRER-FYYLOGMGSA-N 447.539 4.446 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 463134948 QPHQPNOYZGARBV-GOSISDBHSA-N 426.860 4.190 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C)CCc1ccc(OC(C)C)cc1 464026255 QYQSKZGWBXNMKF-INIZCTEOSA-N 427.501 4.075 5 20 IIBD COc1ccc2c(c1)N(C(=O)c1ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c1)CCO2 464370422 ZLJSWGZCPSNQCL-HOTGVXAUSA-N 425.485 4.125 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1C[C@H](n2cccn2)Cc2ccccc21 464424201 AQFWNKBBDWQPJO-GOSISDBHSA-N 431.477 4.359 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 464719018 HSMDBMABOPRZNQ-UHFFFAOYSA-N 445.541 4.363 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464780899 YCRGBZRAHLAEJW-HNNXBMFYSA-N 447.919 4.436 5 20 IIBD CCN(CCOc1ccc(Br)cc1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 465744909 CKFLOKALOVOVKD-UHFFFAOYSA-N 436.306 4.010 5 20 IIBD COc1cc(CNC[C@@]2(C)CCO[C@H]2C2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 466454186 KSXDNUPXUVXHOI-BJKOFHAPSA-N 426.513 4.477 5 20 IIBD CN(C)c1cc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c2ccccc2n1 466547258 ARSFFLOKBXPAGV-UHFFFAOYSA-N 431.399 4.132 5 20 IIBD O=C(NCCN1CCc2ccccc2C1=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 466557124 UCQGRAZMNFMMMA-UHFFFAOYSA-N 446.463 4.207 5 20 IIBD Cc1sc(S(=O)(=O)N[C@H](c2ccccc2OC(F)F)C(F)(F)F)cc1[N+](=O)[O-] 467024479 OVDQONGMYKIXMB-GFCCVEGCSA-N 446.375 4.148 5 20 IIBD Cc1cccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])ccc2C)c1 467284034 NXKZZDCOSBRJEG-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD Cn1nc([C@H]2CCCOC2)cc1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 468610468 SJVBDTQTEKXZDL-SFHVURJKSA-N 435.484 4.087 5 20 IIBD CS(=O)(=O)c1ccc(CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)s1 468936139 MJMPBDGFTLVETJ-UHFFFAOYSA-N 436.486 4.281 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl 469201573 OOVGAVCSBUMYLI-SNVBAGLBSA-N 447.296 4.070 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)cc1C 471869260 GMVPNADREZWBTQ-FQEVSTJZSA-N 431.901 4.328 5 20 IIBD COc1c(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cccc1[N+](=O)[O-] 474081680 KOHSDKPUJXUBFH-UHFFFAOYSA-N 431.492 4.151 5 20 IIBD Cc1c(COC(C)(C)C)cccc1NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 474905768 IWRKOYXEFIUFFO-UHFFFAOYSA-N 433.892 4.240 5 20 IIBD COCCN(C(=O)[C@@H]1CC(=O)c2ccccc21)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 475482612 YBMHBNYKINMRSG-GOSISDBHSA-N 437.477 4.068 5 20 IIBD COc1c(C(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)cccc1[N+](=O)[O-] 476545562 LBQNFVWVXPSLQC-UHFFFAOYSA-N 430.289 4.386 5 20 IIBD CC(C)c1ccc(C(=O)N2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)cc1[N+](=O)[O-] 477444247 DHVMZTWFUNKSEC-UHFFFAOYSA-N 447.491 4.177 5 20 IIBD CC(=O)N[C@H](C)C1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 478676229 CMYLZBATXIGCKO-CQSZACIVSA-N 445.903 4.417 5 20 IIBD O=[N+]([O-])c1cnc(NC2CCN(c3nc4ccccc4s3)CC2)c(Br)c1 479767825 BKAWUQBVLGPUGV-UHFFFAOYSA-N 434.319 4.443 5 20 IIBD CC(C)Oc1cccc([C@@H](C)NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1 481261511 SCQNZFKNUYREIX-CQSZACIVSA-N 441.513 4.153 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1SC 482735724 VAXZCCXBWZAQLQ-GFCCVEGCSA-N 444.513 4.100 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(Cc2ccncc2)CC1 483212700 YTYPRKSAVYSOTN-UHFFFAOYSA-N 428.558 4.132 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 484652023 IHBOSOOTYIGJBM-OAHLLOKOSA-N 449.492 4.216 5 20 IIBD CN(C)c1cc(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)nc2ccccc12 485715944 BHIFPRYDYJMMAQ-UHFFFAOYSA-N 432.402 4.414 5 20 IIBD COC(=O)c1cc(NC(=O)Cc2c[nH]c3cc(Br)ccc23)c(C)c([N+](=O)[O-])c1 485980494 POTVQRYDWNOHLX-UHFFFAOYSA-N 446.257 4.115 5 20 IIBD O=C(CCSc1ccc2c(c1)OCCCO2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 486070522 FDECCKQNIJBORO-UHFFFAOYSA-N 428.510 4.430 5 20 IIBD O=C(N[C@@H]1CSc2ccc(Br)cc21)c1ccn(-c2ccccc2[N+](=O)[O-])n1 487685889 DHYHNORSMAGDFR-CQSZACIVSA-N 445.298 4.120 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)Nc1cc(C(F)(F)F)ccc1Cl 487907817 IHPPOXUDQQZNHA-UHFFFAOYSA-N 425.750 4.221 5 20 IIBD Cc1c(Cl)cccc1NC(=O)CCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 487980159 RYRYFJVLECVBCS-UHFFFAOYSA-N 430.892 4.259 5 20 IIBD C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] 488480631 FAUMOYHHSREVHK-RBZFPXEDSA-N 449.429 4.472 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] 495444796 MJHSQFRFXJNSJO-IBGZPJMESA-N 435.509 4.242 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 499247417 HETYYUZGNQQKJQ-SCLBCKFNSA-N 446.410 4.381 5 20 IIBD CC[C@H]1C[C@@]1(NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1cccc(C)c1 501630822 WTEBYSYCAKTGAG-AOMKIAJQSA-N 437.525 4.238 5 20 IIBD COc1ccccc1Nc1ccccc1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 503622773 SPJGXTNOMODONQ-MRXNPFEDSA-N 433.468 4.069 5 20 IIBD NC(=O)CCC1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 504439690 ZRHWUWAMCVOAOL-UHFFFAOYSA-N 431.876 4.158 5 20 IIBD C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 505507493 RYWMSYLGWQBEBO-LSDHHAIUSA-N 435.496 4.259 5 20 IIBD COc1ccc(-c2nc(C)c([C@H](C)NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 506262600 FOOZVOFDJFAVQS-ZDUSSCGKSA-N 433.511 4.075 5 20 IIBD Cc1ccc([C@@H](NCc2c(F)cc([N+](=O)[O-])cc2F)c2cccc(S(C)(=O)=O)c2)cc1 506294468 KVWZMRXHBXCDLC-JOCHJYFZSA-N 446.475 4.464 5 20 IIBD COC(=O)c1csc(-c2cccc(CNC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])c2)n1 506416664 OGBWAIQTPNFANU-UHFFFAOYSA-N 439.493 4.099 5 20 IIBD COc1cc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)ccc1NC(C)=O 507373061 CAZGHUZSMDGEFZ-AWEZNQCLSA-N 449.467 4.382 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1nc2ccccc2s1 509015043 LVCBUMWAVXGEKN-UHFFFAOYSA-N 439.234 4.370 5 20 IIBD C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)S(=O)(=O)c1cccc([N+](=O)[O-])c1 509146982 OSNIGYDKDARJAR-VIFPVBQESA-N 436.795 4.068 5 20 IIBD O=C(NCCc1c[nH]c2cccc(Br)c12)c1c[nH]c2cccc([N+](=O)[O-])c12 516220967 JKCYFNZXANSBRT-UHFFFAOYSA-N 427.258 4.292 5 20 IIBD Cc1ccc(-c2nc(NC(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)sc2C)s1 517557590 NKGYQGNGJXWHDJ-UHFFFAOYSA-N 426.483 4.230 5 20 IIBD Cc1ccc(Sc2ccc(CNC[C@H](C(C)C)N3CCN(C)CC3)cc2[N+](=O)[O-])cc1 518269374 BHEGZDCKOBNVCP-HSZRJFAPSA-N 442.629 4.416 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)N(CCCn1ccnc1)Cc1c(F)cccc1Cl 520358661 SPLXCZQTPZWUQZ-UHFFFAOYSA-N 446.866 4.082 5 20 IIBD Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)N(C)Cc3ccccc3[N+](=O)[O-])c12 521259673 UAQACVIDMPQQHM-UHFFFAOYSA-N 442.479 4.182 5 20 IIBD CC[C@H]1CCCN(C(=O)c2ccccc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 522677152 GFPZPHNRNQEIES-KRWDZBQOSA-N 445.541 4.356 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C 525385354 UDHGCPLSQTVCSV-IAGOWNOFSA-N 431.920 4.139 5 20 IIBD CN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@@H](c1ccc(Cl)cc1)C(F)(F)F 532087149 CWZRQHGEOUFLHY-INIZCTEOSA-N 439.781 4.205 5 20 IIBD Cc1ccc(C)c(OC2CCN(CCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)CC2)c1 532927974 AOOUIPSNVXQXRB-UHFFFAOYSA-N 425.485 4.053 5 20 IIBD Cc1cc(C)c(NC(=O)[C@@H](C)[S@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c(C)c1 534061167 UQBGAYNNZNOJPE-RKXCMPKHSA-N 441.509 4.451 5 20 IIBD CN(C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1ccc2c(c1)OCO2 535951575 GKXXRMGWXNCPIU-UHFFFAOYSA-N 435.223 4.093 5 20 IIBD O=C(NCCc1nc(-c2cccc(Cl)c2)no1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 537225417 QZBSZWLBNPIKJO-UHFFFAOYSA-N 449.854 4.333 5 20 IIBD O=C(N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 539442435 XRCBUIYLAWCMGH-NVXWUHKLSA-N 446.328 4.074 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 540250160 PCLOISYDHJEGKQ-WQFPPAFTSA-N 443.258 4.454 5 20 IIBD CC(C)CN(C(=O)c1ccc(S(C)(=O)=O)o1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 540454205 DVWYXQSIEUPQQP-UHFFFAOYSA-N 449.510 4.018 5 20 IIBD CCc1ccc([C@H](NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)o1 543425337 SMSREAPPSQQTHX-TZBSWOFLSA-N 435.524 4.065 5 20 IIBD COc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(OC)c([N+](=O)[O-])c3)s2)cc1 543860377 XTHXFTNNQXZXAE-UHFFFAOYSA-N 427.438 4.178 5 20 IIBD COCCCOc1cc(C)ccc1-c1noc(-c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)n1 546461972 BSVGRFNIVJCWLT-UHFFFAOYSA-N 435.440 4.221 5 20 IIBD CCC[C@@H](CCc1ccccc1)NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 551492849 GXEFFCNSBSMICU-INIZCTEOSA-N 448.317 4.214 5 20 IIBD COc1cc(C(=O)NC2[C@H]3CC[C@H]2Cc2ccccc2C3)c([N+](=O)[O-])cc1OC(F)F 553709198 CBLSFYPGCCUIGT-GJZGRUSLSA-N 432.423 4.128 5 20 IIBD CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 555301771 PGXHPBDTZDRQBG-UHFFFAOYSA-N 435.933 4.388 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 555786801 JQPIUDULFDKNOJ-ZDUSSCGKSA-N 436.281 4.061 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@@H]2c3cccc(Br)c3CC2(C)C)cccc1[N+](=O)[O-] 556421602 GVHJHOAWEUWDLI-QGZVFWFLSA-N 446.301 4.044 5 20 IIBD C[C@H](Oc1ccc(F)cc1Br)C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] 557971160 PAKLZSBIRJFNOJ-NSHDSACASA-N 425.254 4.315 5 20 IIBD C[C@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCC1(F)F 558584116 VKIYUCBGLUNQNR-LBPRGKRZSA-N 435.393 4.334 5 20 IIBD COc1ccc(CSCC(=O)NCc2cc(Br)ccc2F)cc1[N+](=O)[O-] 561251384 VBNCTNCIHXZFNG-UHFFFAOYSA-N 443.294 4.055 5 20 IIBD CC[C@@]1(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])OCCc2ccccc21 567204772 DDLUTKAPIRXENJ-FQEVSTJZSA-N 438.402 4.144 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(NC(=O)CN(CC)CC)c1 568435586 YUDHYIRBAZYVIE-UHFFFAOYSA-N 430.530 4.239 5 20 IIBD COc1ccc(C[C@H]2CCCN(C(=O)CSCc3ccc(OC)c([N+](=O)[O-])c3)C2)cc1 570867195 UDBMGFRXFQCKHN-GOSISDBHSA-N 444.553 4.327 5 20 IIBD C[C@H](C(=O)NCCc1c[nH]c2cccc(Br)c12)c1ccc([N+](=O)[O-])cc1F 573888351 OJMKFQUPXHRHQA-NSHDSACASA-N 434.265 4.440 5 20 IIBD COc1ccccc1CN(C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)C1CC1 603986822 QKURBLXROGKYNZ-UHFFFAOYSA-N 434.496 4.270 5 20 IIBD COc1ccc(CSCC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)cc1[N+](=O)[O-] 603990741 MBSDCVHELNURBL-UHFFFAOYSA-N 443.525 4.101 5 20 IIBD COc1ccc(CNC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] 604105395 QXXBYZFFGVUXTO-GDNZZTSVSA-N 443.344 4.312 5 20 IIBD CSc1ccc(C(=O)N2CCN(c3cccc(Br)c3)CC2)cc1[N+](=O)[O-] 604248626 QALXXRNMWUUOFH-UHFFFAOYSA-N 436.331 4.042 5 20 IIBD CN(C[C@@H]1CCCO[C@H]1c1ccccc1)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] 604520384 KVGREUBRHMYQMA-CVDCTZTESA-N 434.496 4.163 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 604521539 PUQPINQGGLJCQW-AQOAWAETSA-N 427.501 4.030 5 20 IIBD Cc1nn(CCC(=O)N[C@@H](c2ccc(F)cc2)c2ccccc2Cl)c(C)c1[N+](=O)[O-] 608805352 ZAVXWJKYJQRGTH-FQEVSTJZSA-N 430.867 4.497 5 20 IIBD CCc1cccc(Cc2cnc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3OC)s2)c1 608928136 CVGMBFPWCMANGW-UHFFFAOYSA-N 433.511 4.014 5 20 IIBD CSc1ccc(C(=O)N2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)cc1[N+](=O)[O-] 609045362 XHHGVRJIWLCUEN-MRXNPFEDSA-N 442.541 4.299 5 20 IIBD Cc1cccc(COc2ccc(NC(=O)C(=O)NCc3ccccc3[N+](=O)[O-])c(C)c2)c1 609254869 YWIFONHXMGPUAX-UHFFFAOYSA-N 433.464 4.046 5 20 IIBD COc1cc(-c2nc3cc(Br)ccc3s2)c([N+](=O)[O-])cc1OCC(=O)O 609323418 LKPAWXWZPAGRKQ-UHFFFAOYSA-N 439.243 4.106 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)cc1C 609440566 DEECDMWVPNLANM-UHFFFAOYSA-N 438.868 4.050 5 20 IIBD CCCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)[C@@H](c1ccc(F)cc1)c1cccnc1 609522930 UBCWGGAGEMKUQS-QFIPXVFZSA-N 425.464 4.052 5 20 IIBD CCCN(C(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)[C@@H](CC)c1ccccc1 609943291 OFILWAIHNFSZRN-SFHVURJKSA-N 441.484 4.085 5 20 IIBD COc1cc(C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)c([N+](=O)[O-])cc1OC(F)F 610117739 VBXDIVGPGDIPGB-QPUJVOFHSA-N 430.766 4.283 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(SCc2ccccc2)cn1 611086996 CKEFMQDXTRHONA-HNNXBMFYSA-N 436.493 4.039 5 20 IIBD O=C1CCCN1C[C@@H](Nc1ncnc2ccc([N+](=O)[O-])cc12)c1cccc(C(F)(F)F)c1 611710013 XFMIZHFFNRBLMJ-GOSISDBHSA-N 445.401 4.332 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1OCCc1nc(Cc2ccc(OC(F)F)cc2)no1 612869304 DRBZBDHGDCUPJE-UHFFFAOYSA-N 425.775 4.445 5 20 IIBD COc1cc(OC)c(C2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3OC)CC2)c(OC)c1 614937734 IZDSDBQKOPGWOP-UHFFFAOYSA-N 445.472 4.041 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1cccnc1Oc1ccccc1 615147889 KJJMGOVIZPNWRP-UHFFFAOYSA-N 434.452 4.158 5 20 IIBD COc1cc(C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)cc2c1OCCO2 619729631 BDINTYAEEVDJJT-UHFFFAOYSA-N 427.438 4.059 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCOC1 619858349 DFJNKGWDTWVSAS-QGZVFWFLSA-N 444.495 4.074 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OCC(=O)c2ccc(C(C)C)cc2)ccc1[N+](=O)[O-] 726675780 KMQJSNRHAXZTBX-OAQYLSRUSA-N 438.480 4.057 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 730138755 IVUSHXBDDSIJEE-SFHVURJKSA-N 434.537 4.162 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3nc4cc(F)ccc4n3C)cc2[N+](=O)[O-])C1 732108573 UOJMCGZFEUUONG-GASCZTMLSA-N 439.491 4.033 5 20 IIBD C[C@H](CC(=O)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(C(F)(F)F)cc1 733525366 ZQBQORCVYHIIIQ-CYBMUJFWSA-N 436.386 4.240 5 20 IIBD O=C(Nc1ccc(OS(=O)(=O)c2cccc3cccnc23)cc1)c1cccc([N+](=O)[O-])c1 734742192 UJPIGQHAWLBSCR-UHFFFAOYSA-N 449.444 4.163 5 20 IIBD Cc1ccc(-n2cnnc2SCC(=O)OCc2ccc(Cl)cc2[N+](=O)[O-])cc1C 734885970 JNXIDWYSWSGUEX-UHFFFAOYSA-N 432.889 4.281 5 20 IIBD CC(C)OC(=O)NCc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 735017884 BXMIZTIYIPRWSW-ZDUSSCGKSA-N 435.864 4.289 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 735991839 DGCMVAGIXIIRMQ-UHFFFAOYSA-N 440.174 4.387 5 20 IIBD CN(C)c1ccc(N(C)C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cc1 736013843 XIPNQTWXVDUIFP-UHFFFAOYSA-N 434.283 4.430 5 20 IIBD CCN(Cc1cccc(-c2ccncc2)c1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 741647314 PHCZIDDGHNSQIN-UHFFFAOYSA-N 446.507 4.156 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1OS(=O)(=O)C1CC1 742331698 SSFBQPXEHDEDBC-UHFFFAOYSA-N 431.253 4.025 5 20 IIBD CC(C)NC(=O)c1ccc(N[C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 742418857 XFJXMNXATSCSNG-IAGOWNOFSA-N 434.537 4.228 5 20 IIBD Cc1ccc(N2CCC[C@@H](Nc3cnn(-c4ccc([N+](=O)[O-])cc4)c(=O)c3Cl)C2)cc1 742422168 UEFXAAXZJJZKHV-MRXNPFEDSA-N 439.903 4.183 5 20 IIBD CCC(C)(C)NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(C)cs1 744500949 XJSOCTKULJKHNJ-LBPRGKRZSA-N 437.543 4.361 5 20 IIBD C[C@@H](CC(=O)c1cccc(F)c1)C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 745395241 JOGPPDKRFYAJAA-NWDGAFQWSA-N 436.823 4.167 5 20 IIBD COc1ccc2c(C)c(CCC(=O)OCc3cc(Cl)ccc3[N+](=O)[O-])c(=O)oc2c1 746061348 RMURNKGCHFROBN-UHFFFAOYSA-N 431.828 4.348 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1F)C1CCN(C(=O)c2ccc(Cl)s2)CC1 746974454 VYIDFJQQPYMXMK-UHFFFAOYSA-N 426.853 4.044 5 20 IIBD COc1ccc2c(C)c(CCC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)c(=O)oc2c1 747103349 MPXMUNPBKXLERN-UHFFFAOYSA-N 436.464 4.142 5 20 IIBD CN(CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(C(F)(F)F)cc1C=O 747450451 SEXBYSOCHWFVDV-UHFFFAOYSA-N 435.402 4.054 5 20 IIBD O=C(OCCNc1ccc(-c2ccccc2)nn1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 753829913 ULXZGVHLYKCYIB-UHFFFAOYSA-N 447.476 4.444 5 20 IIBD O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cc(F)cc([N+](=O)[O-])c1Br 754638295 DHXRMWFRMDCHHZ-KRWDZBQOSA-N 436.281 4.063 5 20 IIBD C[C@H](OC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)N(C)Cc1nc2ccccc2s1 755068801 XMAUCMATRHADLU-STQMWFEESA-N 445.472 4.037 5 20 IIBD O=C(O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1cnn(Cc2ccccc2Cl)c1 759944949 SSWBBXRKWUZLJX-QZTJIDSGSA-N 429.864 4.030 5 20 IIBD C[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Br)cc2)no1 760279906 JZFWSRQPLIIVBM-JTQLQIEISA-N 448.302 4.455 5 20 IIBD COc1ccc(CSCc2nc(-c3ccc(N4CCOC4=O)cc3)no2)cc1[N+](=O)[O-] 761750575 MCUZGSGVSMTIQP-UHFFFAOYSA-N 442.453 4.043 5 20 IIBD O=C(O[C@@H](C(=O)NCc1ccccc1)c1ccccc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 762717562 NJGKOZQZNIEMQL-JOCHJYFZSA-N 429.432 4.291 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@H](C)Sc1nc2ccccc2s1 762911007 UWMGFLVERKEYNG-LBPRGKRZSA-N 431.495 4.175 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccccc1)c1ccccc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 763869135 IHKMRHBMFWAECK-QFIPXVFZSA-N 442.431 4.317 5 20 IIBD O=C(c1cc(I)cc([N+](=O)[O-])c1)N(CCc1ccccc1)C1CC1 765723515 FUXQLEHONQONDO-UHFFFAOYSA-N 436.249 4.047 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(N[C@H]3CCN(c4ccccc4Br)C3)CC2)cc1 765928815 SVUDJSWFYUDSJI-KRWDZBQOSA-N 445.361 4.195 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)[C@H](O)c1ccccc1 768642544 QGPIZWNRFIAEJF-WOJBJXKFSA-N 440.839 4.205 5 20 IIBD CC(C)Cn1ncc(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1C1CC1 768651597 RYXPRNTULYBHIP-GFCCVEGCSA-N 434.880 4.162 5 20 IIBD O=C(OCc1ccc2c[nH]nc2c1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 768789997 GZHNQYPGDUXXOS-UHFFFAOYSA-N 448.401 4.450 5 20 IIBD COCc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cc1 769525323 XIRLIHUTOWABRD-UHFFFAOYSA-N 433.464 4.291 5 20 IIBD CC(C)(CCC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)NC(=O)OC(C)(C)C 770318647 MZDKYTBELGLKMY-UHFFFAOYSA-N 430.299 4.379 5 20 IIBD CC(C)(c1ccccc1)[C@H](OC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)C(F)(F)F 771365574 CGZKIANTYUTYFA-KRWDZBQOSA-N 445.415 4.064 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCCSCc2ccnc(Cl)c2)cc1SC 771490468 SQBXMKFLJUVMSU-UHFFFAOYSA-N 427.935 4.037 5 20 IIBD C[C@H](Nc1ccc(C(=O)OC[C@H]2CCCN2CC(F)F)cc1[N+](=O)[O-])c1ccccn1 774644198 JZZSUOJWGVURGI-GOEBONIOSA-N 434.443 4.049 5 20 IIBD O=C(N1CCO[C@@H](c2ccc(Br)cc2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 778243340 CUACAUIBQPFORO-MRXNPFEDSA-N 441.228 4.049 5 20 IIBD CCOc1cc(N2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)ccc1[N+](=O)[O-] 779708772 XOCHSONJZZXZGW-UHFFFAOYSA-N 426.391 4.380 5 20 IIBD CC(C)n1cc2c(n1)[C@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])CCC2 780413084 KRYGGCFSIAYCLR-OAHLLOKOSA-N 426.395 4.121 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 781012729 VHHIZMUHSMCVBQ-MSOLQXFVSA-N 447.535 4.295 5 20 IIBD COC(=O)c1cc(COC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c(C)s1 781256869 FVMKRSIHCJRXLY-UHFFFAOYSA-N 443.427 4.473 5 20 IIBD CC(C)N(C(=O)[C@H](C)OC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C(C)C 781258574 UXACGLKLZGVKPQ-ZDUSSCGKSA-N 430.451 4.150 5 20 IIBD O=C(COC(=O)c1ccccc1NC(=O)OCc1ccccc1)Nc1ccccc1[N+](=O)[O-] 781687760 VJKWLZQUXUQWCJ-UHFFFAOYSA-N 449.419 4.139 5 20 IIBD CCN(C(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Br)C1CCCCC1 783358474 UUTQCHHKZVRMDE-LBPRGKRZSA-N 427.295 4.084 5 20 IIBD C[C@H](c1ccc(F)cc1)N(C)C(=O)COc1cc(F)c(Br)cc1[N+](=O)[O-] 790295034 AVRLSEJQHIBQPV-SNVBAGLBSA-N 429.217 4.234 5 20 IIBD CCOc1cc2c(cc1OCC)CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])CC2 790484907 UXJFLTDOVDVLRA-UHFFFAOYSA-N 436.867 4.312 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)O[C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 795711984 RSMHJWUUAINRBI-NSHDSACASA-N 442.346 4.076 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(Oc3cncc(Cl)n3)CC2)nc1-c1ccc(F)cc1 797436896 QUWZAMOVOZZKGJ-UHFFFAOYSA-N 429.839 4.287 5 20 IIBD COc1ccc(COC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cc1 800789149 VRDSOQRXDXRXRK-UHFFFAOYSA-N 434.448 4.257 5 20 IIBD CN(C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1nccs1 801190890 YCOCQCCOCZJJSY-UHFFFAOYSA-N 429.479 4.022 5 20 IIBD CO[C@H](COC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(Cl)cc1 801252041 VALZNROXUOYVIU-VQTJNVASSA-N 446.887 4.092 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)OCc1coc(C(C)(C)C)n1 802278607 HIKXXILSCNLWEI-UHFFFAOYSA-N 444.225 4.150 5 20 IIBD O=[N+]([O-])c1ccc(Br)c(NNCn2[nH]c(/C=C\c3ccccc3)nc2=S)c1 802741893 VJGQEZFMORYSLU-TWGQIWQCSA-N 447.318 4.356 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)O[C@@H]2CCc3cc(Cl)ccc32)cc1[N+](=O)[O-] 803224658 XNJCQFICPCFLFK-MRXNPFEDSA-N 430.873 4.372 5 20 IIBD CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)OCc1cc(Cl)cc(Cl)c1 811100849 GOHHXSMPOYPGGU-ZDUSSCGKSA-N 447.296 4.090 5 20 IIBD CCOc1ccc([C@@H](O)C2CCN(c3ncc([N+](=O)[O-])cc3Br)CC2)cc1 812483259 YENRDMTWPYLSCC-GOSISDBHSA-N 436.306 4.101 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N[C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)cc1[N+](=O)[O-] 813669876 LUGYCYQPRZQDNL-MAUKXSAKSA-N 432.521 4.053 5 20 IIBD O=C(O)c1cc(NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)ccc1Cl 821168493 FCNFGOSBADRELR-UHFFFAOYSA-N 425.633 4.054 5 20 IIBD C[C@@H]1CCC[C@@H](C)N1NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 864829678 RWHGTSCEBWSESB-ZIAGYGMSSA-N 430.892 4.408 5 20 IIBD CC(C)[C@@H](OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)CCC2 877866234 FQCROFANTAQNBZ-JOCHJYFZSA-N 448.479 4.089 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C(=O)N2CCc3ccccc3C2)C(C)C)c1 878280798 ADFMBFJSYSQIKU-HXUWFJFHSA-N 428.510 4.083 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1nc(-c2ccccc2)n2c1CCCCC2 914916083 JZVRWPBKMPNERI-UHFFFAOYSA-N 448.479 4.289 5 20 IIBD Cn1c(Cl)cnc1CN1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 915693747 SVLLGUXBHPQDDE-UHFFFAOYSA-N 431.949 4.028 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)C(=O)NCc1ccc(F)cc1 917257950 YGBBZBDLXWFDEY-HNNXBMFYSA-N 438.411 4.388 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3ccc(Br)cc3s2)c(Cl)c1 917721357 XZJLIXJWUCFZIA-UHFFFAOYSA-N 448.707 4.421 5 20 IIBD COc1ccc([N+](=O)[O-])cc1OC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 919680704 IAMVSSGHTXENQE-CYBMUJFWSA-N 438.396 4.299 5 20 IIBD COc1cccc([C@H](C)C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 920560368 GTMFTENGVWDVAC-NWDGAFQWSA-N 440.374 4.296 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cnc(-c3ccccc3F)s2)c([N+](=O)[O-])c1 920701829 WKJNFGRZWQYEGY-LLVKDONJSA-N 445.428 4.050 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1cccc(N2CCOC2=O)c1 920949178 JZSPAEWZDGQBHY-MRXNPFEDSA-N 438.484 4.033 5 20 IIBD COc1ccccc1C1(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCC1 1116170539 HLBIYWYNAQOJMX-ZDUSSCGKSA-N 432.860 4.249 5 20 IIBD Cc1csc(Sc2ccc(-c3nc([C@H]4CN5CCC4CC5)no3)cc2[N+](=O)[O-])n1 1320496198 PTSRPLWHJWPUGJ-AWEZNQCLSA-N 429.527 4.370 5 20 IIBD C[C@@H](NC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)c1cccc([N+](=O)[O-])c1 1320513855 NGMMTLZGIOMFOU-OAHLLOKOSA-N 425.485 4.379 5 20 IIBD CN1C(=O)C[C@H](c2nnc(COc3ccccc3[N+](=O)[O-])o2)[C@H]1c1ccc(Cl)c(F)c1 1335354388 SAJFHISEYYUKHP-HXPMCKFVSA-N 446.822 4.036 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3cnoc3C3CC3)CCC2)cc1)c1ccc([N+](=O)[O-])o1 1785748576 RYWBMFHBJXCPFJ-UHFFFAOYSA-N 436.424 4.115 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCC[C@@H]4C)cc3)CCC2)ncc1[N+](=O)[O-] 1789207538 PEOQUUWKMQGIRM-HNAYVOBHSA-N 436.512 4.482 5 20 IIBD C/C=C/C=C\C(=O)Nc1ccc(C2(NC(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)CCC2)cc1 1791246091 PMDFDTJLAVIJSY-ZPYFUIHZSA-N 445.479 4.351 5 20 IIBD Cc1ccc(C)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccccc2[N+](=O)[O-])c1 1804345581 CUEMDFVGRMCATH-SKHSGBRBSA-N 433.508 4.177 5 20 IIBD CCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc([N+](=O)[O-])c(O)cc2C)n[nH]1 1821345545 NALIQYHJADOFOC-INIZCTEOSA-N 443.504 4.074 5 20 IIBD O=C(c1ccccc1Oc1ccccc1)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 1840966411 KRKPYFVWZAVQOT-UHFFFAOYSA-N 447.447 4.111 5 20 IIBD C[C@@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 9352452 GKLHRSQIBDTZMY-LLVKDONJSA-N 428.388 4.276 5 20 IIBD C[C@H](OC(=O)[C@H](C)Oc1ccc(Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 10286400 RLUQXIRROZBJDP-QWRGUYRKSA-N 427.240 4.239 5 20 IIBD C[C@@H](Nc1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 10841575 MDMLDRXMXXATQH-LLVKDONJSA-N 436.390 4.401 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)Cc1csc(NC(=O)c2ccccc2)n1 10904858 XCAKZUXREIDNDJ-UHFFFAOYSA-N 444.900 4.158 5 20 IIBD C[C@H](NC(=O)COC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 11314964 YIKAQPWNFOLMLJ-LBPRGKRZSA-N 440.283 4.124 5 20 IIBD CCCOc1ccc(C(F)(F)F)cc1NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC 11623689 AMHSLYQVSFGWAL-UHFFFAOYSA-N 427.379 4.462 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)c1 15408260 VVCPJORSMFVAGD-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD Cc1c(NC(=O)[C@@H](C)Sc2nnc(NCc3ccccc3)s2)cccc1[N+](=O)[O-] 23290190 QXGYDMFMFQVFBD-CYBMUJFWSA-N 429.527 4.486 5 20 IIBD O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 38907993 NQUBZYWIPSNATC-UHFFFAOYSA-N 442.928 4.330 5 20 IIBD CCc1nc(C)c(C(=O)N(CCOC)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)s1 64870280 QTXUEWZXKRBYJH-UHFFFAOYSA-N 432.527 4.339 5 20 IIBD Cc1cc(C(=O)NCC(C)C)ccc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 65078934 RSYMFQTWOOZGJW-UHFFFAOYSA-N 439.921 4.052 5 20 IIBD C[C@H](Nc1ccc(C(=O)N(C)C[C@@H]2COc3ccccc3O2)cc1[N+](=O)[O-])c1ccccn1 108753522 QPBCLRTZAMVESV-FUHWJXTLSA-N 448.479 4.075 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(Br)sc1Br 227268641 FDXCADGFTKXSEP-UHFFFAOYSA-N 434.109 4.454 5 20 IIBD CCCOc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1Cl 303451600 JTCRBYSQVPJYNZ-CQSZACIVSA-N 437.905 4.342 5 20 IIBD O=C(O)[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1ccc(F)c(C(F)(F)F)c1 426720362 MJSQTVWKMQUANA-QGZVFWFLSA-N 425.338 4.020 5 20 IIBD O=C(c1c[nH]nc1-c1ccc(Cl)s1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 427237864 GMIPQEJSKQVZCZ-UHFFFAOYSA-N 432.889 4.383 5 20 IIBD O=C(c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)N1CC[C@](O)(C2CC2)C1 428173389 YUBAREKQOUNXQP-OAQYLSRUSA-N 441.534 4.343 5 20 IIBD CC(C)[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 429923057 IKFFDXXJMFUCPM-SFHVURJKSA-N 435.274 4.256 5 20 IIBD CCc1c(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nnn1Cc1ccc(F)cc1 434007010 FJXSSZRCWUYHBI-UHFFFAOYSA-N 437.353 4.207 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C)c(S(C)(=O)=O)c1 436230659 WZVPARDURNJFST-UHFFFAOYSA-N 436.555 4.129 5 20 IIBD O=C(Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccc(O)c([N+](=O)[O-])c1 436946128 OHQLBGDBRXFCDN-UHFFFAOYSA-N 447.856 4.007 5 20 IIBD CCN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1S(=O)(=O)CC 437044256 QHAOILLVSSREBG-UHFFFAOYSA-N 430.404 4.074 5 20 IIBD COc1cccc(-c2noc([C@@H](C)NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)c1 437144503 QQWLDHLTNPZBGJ-SNVBAGLBSA-N 436.346 4.163 5 20 IIBD C[C@@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1cccc(OCc2ccccn2)c1 445492008 MCSQSUMTSJAFCD-QGZVFWFLSA-N 432.480 4.398 5 20 IIBD CN(Cc1ccco1)Cc1ccccc1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 445879410 GBYISVBECWWLKT-UHFFFAOYSA-N 434.496 4.088 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3oc(C4CC4)nc3c2)c(C(F)(F)F)c1 446995098 WKRAIVPZPRLRDN-UHFFFAOYSA-N 427.360 4.433 5 20 IIBD CCC[C@@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1nnc2ccccn12 447343874 QIBQUKRAMVCXJB-HXUWFJFHSA-N 445.479 4.488 5 20 IIBD Cc1cc(=O)c(C(=O)N(c2cnc3ccccc3c2)C(C)C)nn1-c1ccccc1[N+](=O)[O-] 448455512 DNEMKDLRDYWEQP-UHFFFAOYSA-N 443.463 4.053 5 20 IIBD CCOc1ccc(-c2nc(CC(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)cs2)cc1 461405044 HVAQWGSRGZGMSR-UHFFFAOYSA-N 439.493 4.081 5 20 IIBD COc1cc(C)c([C@H](C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1OC 462144058 XCPVFDUPIYYHKJ-JTQLQIEISA-N 449.312 4.267 5 20 IIBD COc1ccc(S(=O)(=O)N(C)[C@H](c2ccc(Cl)cc2)C(F)(F)F)c([N+](=O)[O-])c1 464430603 RTUJSUILKAYIAL-OAHLLOKOSA-N 438.811 4.181 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(C(=O)c2cc(Cl)ccc2OC)CC1 464716986 WUVDZVRRCLTCQL-UHFFFAOYSA-N 445.903 4.310 5 20 IIBD Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)C2)c1 466301149 ZDKXGURQPUSQMP-KRWDZBQOSA-N 429.904 4.034 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1nc(-c2cccc(Br)c2)no1 468610175 YFEGYKOLFHWZAM-UHFFFAOYSA-N 445.273 4.263 5 20 IIBD O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 468660969 UBLXBNSBIJTDPY-OAQYLSRUSA-N 438.871 4.205 5 20 IIBD COc1ccc(CN2CCCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2=O)cc1 468683852 RMPCCGHQGVFBLB-UHFFFAOYSA-N 435.480 4.098 5 20 IIBD CCNC(=O)Nc1cccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1C 469019423 RVOUJENBLWCPEX-UHFFFAOYSA-N 440.378 4.238 5 20 IIBD CC[C@H](C)[C@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 469466844 OOJOQFRAWGLDMO-ZSEKCTLFSA-N 443.887 4.419 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(Sc3ccccc3Cl)nn2)cc([N+](=O)[O-])c1 469563192 DNPJBHDTWMXTKL-UHFFFAOYSA-N 444.856 4.228 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H](OCc3ccccc3)C2(C)C)cc1SC 471678421 JARKPXLOQMIBLF-VQTJNVASSA-N 430.526 4.439 5 20 IIBD Cn1cc(C(=O)Nc2cc(F)cc(NCC(F)(F)F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 473248730 DJZXQPAULTWLPS-UHFFFAOYSA-N 437.353 4.361 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 474200062 VCDABZLPSXXIJK-UHFFFAOYSA-N 436.443 4.328 5 20 IIBD COC(=O)c1cccc(OCc2noc([C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)c1 476931836 ZHLNFJVULWWJAH-LLVKDONJSA-N 433.804 4.137 5 20 IIBD O=[N+]([O-])c1ccc2nc(N3CCCN(CC4CCC(C(F)(F)F)CC4)CC3)[nH]c2c1 481191428 ODQOUCJGKAHIJK-UHFFFAOYSA-N 425.455 4.352 5 20 IIBD O=C(NC1CC1)c1ccc(CN(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)Cc2ccco2)cc1 482691226 QUACJVNFICPUNM-UHFFFAOYSA-N 445.479 4.159 5 20 IIBD COc1c(C(=O)N2c3ccccc3CC[C@@H]2C(=O)Nc2ccccc2)cccc1[N+](=O)[O-] 483463911 PWNWNTWEQYSWAR-OAQYLSRUSA-N 431.448 4.204 5 20 IIBD O=C(NC1CC1)c1cccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 485526174 AJAGGLOLYOAYFT-UHFFFAOYSA-N 433.414 4.104 5 20 IIBD O=C(CCCc1nc(-c2cccs2)no1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 486743490 JZDUHSOUHFTBEM-UHFFFAOYSA-N 440.403 4.364 5 20 IIBD CS(=O)(=O)Nc1ccc(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 486845241 MEXATSBHDYUGJV-UHFFFAOYSA-N 443.506 4.370 5 20 IIBD COC(=O)[C@@H](CNC(=O)c1cc(SC)ccc1[N+](=O)[O-])Cc1cccc2ccccc12 498641422 XFBVGOGTIXKHMI-QGZVFWFLSA-N 438.505 4.232 5 20 IIBD CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 499474138 UILCOZFQNLIHOM-INIZCTEOSA-N 445.344 4.285 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 499536185 ASAMLGQHYBJAMB-OAQYLSRUSA-N 434.427 4.020 5 20 IIBD NC(=O)c1ccc(CN2CCC(F)(c3ccccc3C(F)(F)F)CC2)c([N+](=O)[O-])c1 499951744 HOQTZCKGRDFMFZ-UHFFFAOYSA-N 425.382 4.173 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(F)cc2Br)cc1[N+](=O)[O-] 500064062 HZIQCINAENXUJU-UHFFFAOYSA-N 429.267 4.377 5 20 IIBD CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H](CO)c1cccc(Br)c1 501435474 OHWYACSPMKAUHV-GOSISDBHSA-N 446.301 4.220 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2ccccc2)C1 509830483 KCFWRYZDUBFBNA-AWEZNQCLSA-N 436.249 4.138 5 20 IIBD CC(C)N(Cc1ncc(-c2ccc3c(c2)OCO3)[nH]1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] 510993071 CDMYGDCEBHAZII-UHFFFAOYSA-N 442.859 4.418 5 20 IIBD Cc1cccc([C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2cccc(F)c2)c1 511046604 LHIFJMLFRZXQLR-QFIPXVFZSA-N 428.485 4.195 5 20 IIBD O=C(N[C@H]1CCc2n[nH]cc2C1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 511903288 AAERSAMNKIZDQN-AWEZNQCLSA-N 428.901 4.410 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](c1c[nH]c2ccccc12)C(F)(F)F 513148832 IGJDYTFFHXBHMO-IBGZPJMESA-N 436.390 4.307 5 20 IIBD O=C(Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1)c1ccc([N+](=O)[O-])cc1 515195477 VQMLAUNFXYFMQI-UHFFFAOYSA-N 430.508 4.165 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccccc1)c1cc2ccccc2o1 515339441 NYQISKBERMPOIN-DEOSSOPVSA-N 443.459 4.367 5 20 IIBD Cc1cccc(Oc2ccccc2NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)c1 517882728 WOWPGLZLGQAQBB-UHFFFAOYSA-N 426.450 4.351 5 20 IIBD COC1CCC(N(C)C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CC1 522883631 OROQMILSUQLKTO-UHFFFAOYSA-N 427.288 4.117 5 20 IIBD COc1ccc([C@@H]2CCCN2C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 524191530 AQGGZCOLBNVOGG-INIZCTEOSA-N 434.876 4.398 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cccnc1SCc1ccc(F)cc1 524691221 RINLGGNNAXNLCZ-UHFFFAOYSA-N 427.457 4.230 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 525071514 WHPMGMLQMQBHEW-UHFFFAOYSA-N 445.884 4.230 5 20 IIBD Cc1noc(-c2ccc(C)c(NC(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)c2)n1 525219794 JRSYNLAJMKDVMB-UHFFFAOYSA-N 437.456 4.337 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)cc1[N+](=O)[O-])c1ccccn1 532163588 XMIQHEKMFSDBEB-KXBFYZLASA-N 440.500 4.109 5 20 IIBD CC[C@H](C)n1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1C1CC1 534238547 HJOGINFBQKKUQH-JTQLQIEISA-N 432.424 4.459 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCC1(c2ccccc2Cl)CCOCC1 535389849 XZZXHYOKFLHYRN-UHFFFAOYSA-N 427.888 4.137 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CC[C@H]4[C@@H](CCC(=O)N4C4CC4)C3)c([N+](=O)[O-])c2)cc1 536393364 YWCGPNTVLAVTHK-RXVVDRJESA-N 448.523 4.135 5 20 IIBD CN(CCC1CCN(c2ccncc2)CC1)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 537774145 LYDPYMNJHHNJOF-UHFFFAOYSA-N 439.560 4.261 5 20 IIBD C[C@@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(NC(=O)c2ccccc2)c1 538129714 SIYGCEOHOHURTJ-UZUQRXQVSA-N 444.491 4.303 5 20 IIBD Cc1ccc(-c2nc(C)c([C@H](C)NC[C@@H](O)COc3ccccc3[N+](=O)[O-])s2)cc1 541661435 JNCAKXKHMUYWSK-MAUKXSAKSA-N 427.526 4.426 5 20 IIBD Cc1cc(C(=O)NCC(=O)N[C@H](c2ccc(Cl)cc2)c2cccs2)ccc1[N+](=O)[O-] 542074857 FLKASTYKJICYOZ-HXUWFJFHSA-N 443.912 4.254 5 20 IIBD Cc1nc([C@@H](N[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2)no1 543994457 OBKDBPVCCKBMCI-BUXKBTBVSA-N 429.864 4.036 5 20 IIBD Cc1cc(-c2nc(C3CC3)no2)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 544098758 BOCONUOELRWLTR-UHFFFAOYSA-N 434.861 4.285 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)c1[nH]c2ccc(Br)cc2c1Cl 544307304 AZXULKNDHYXJMJ-UHFFFAOYSA-N 438.665 4.431 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C(F)F)c1Cl 544529428 NAFGHONXQJVJOP-UHFFFAOYSA-N 425.819 4.263 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCC2(CN(C)C)CCCC2)cc1[N+](=O)[O-])c1ccccn1 545371752 AOOOUQZLISOEJB-KRWDZBQOSA-N 425.533 4.015 5 20 IIBD Cc1cc(Cc2noc(CCc3nc(-c4ccc(Cl)cc4)no3)n2)ccc1[N+](=O)[O-] 546559059 DEHZTCNHRVOLGO-UHFFFAOYSA-N 425.832 4.366 5 20 IIBD Cc1c(Cc2noc(CCc3nnc(-c4cc5ccccc5o4)o3)n2)cccc1[N+](=O)[O-] 547195291 SUHFZBVWHLFOMS-UHFFFAOYSA-N 431.408 4.458 5 20 IIBD O=C(c1cc(N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)ccc1[N+](=O)[O-])N1CCCC1 550857391 GQLIHIBDCGTIJH-HXUWFJFHSA-N 447.438 4.010 5 20 IIBD CCc1ccc([C@@H](N[C@H]2CCCN(C(=O)N3CCCC3)C2)c2ccc([N+](=O)[O-])cc2)o1 552090800 UWFIBDSAIITSMA-AVRDEDQJSA-N 426.517 4.109 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(C)C)[C@H](C)c1ccccc1C 556405954 IWNOFUCYVOVPDD-MRXNPFEDSA-N 434.514 4.098 5 20 IIBD O=C(N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1c[nH]c2cccc([N+](=O)[O-])c12 557744800 ATGXKZAXJIDEJW-FQEVSTJZSA-N 433.386 4.227 5 20 IIBD C[C@@H]1CN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c2ccccc2N(C)C1=O 558916937 OAZGXGARHIAEIP-QGZVFWFLSA-N 445.475 4.433 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@](F)(c3cc(F)cc(F)c3)C2)cc1SC 560150180 XMFGTLAURTVIFV-IBGZPJMESA-N 426.416 4.314 5 20 IIBD Cc1c(CNC(=O)C(=O)N[C@H](C)c2ccc(Oc3ccccc3)cc2)cccc1[N+](=O)[O-] 560967984 QPWRCOWZTHMHDY-QGZVFWFLSA-N 433.464 4.189 5 20 IIBD CCOc1cc(NC(=O)N2CC[C@]3(CCc4ccccc4O3)C2)c([N+](=O)[O-])cc1OCC 562016688 XRQPZMUQFPZQGC-HSZRJFAPSA-N 441.484 4.394 5 20 IIBD CNC(=O)c1cc(Oc2cccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c2)ccn1 565296166 NYCGXSADNINOIP-UHFFFAOYSA-N 432.392 4.140 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[C@H](C)c1cccc(C(F)(F)F)c1 566389782 KISJGBYKHCICRY-ZDUSSCGKSA-N 437.418 4.425 5 20 IIBD COc1cc(Cc2noc(-c3ccc(C(F)(F)F)c(F)c3)n2)c([N+](=O)[O-])c(OC)c1 567649969 KZWRJBOBJZMTHG-UHFFFAOYSA-N 427.310 4.411 5 20 IIBD COc1ccc(NC(=O)N(C)[C@@H](C(=O)O)c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 568950339 JFTSHIIWYVHBIX-OAHLLOKOSA-N 428.228 4.200 5 20 IIBD CCC(=O)Nc1cccc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)c1 571577536 ZOAXWLDULKWFKW-UHFFFAOYSA-N 431.246 4.347 5 20 IIBD O=[N+]([O-])c1ccccc1OC[C@@H](O)Cn1c(CCOc2ccccc2)nc2ccccc21 572796770 YWFDLDJMNYMWDS-SFHVURJKSA-N 433.464 4.006 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1ccc(OC(F)F)c(OC)c1 575004729 SYLKOEYDIITNMA-UHFFFAOYSA-N 433.415 4.120 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)c1 577630031 BKYMLMJPYRZOOE-UHFFFAOYSA-N 426.469 4.007 5 20 IIBD COc1ccccc1-c1csc([C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])cn3C)C2)n1 580501251 CCKJRNLHKPQUGK-AWEZNQCLSA-N 426.498 4.085 5 20 IIBD COCc1nc(Cc2noc(-c3ccc(N4C[C@@H](C)C[C@H](C)C4)c([N+](=O)[O-])c3)n2)cs1 582812203 ALJWQZBKWBUHEQ-KBPBESRZSA-N 443.529 4.321 5 20 IIBD COc1ccccc1-c1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C[C@H]1CCCCO1 583885151 CHZBSSNIRILPSG-GOSISDBHSA-N 437.500 4.067 5 20 IIBD COc1cc(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])cc1OC(F)F 585689327 VRKPDZCLWNHHTD-UHFFFAOYSA-N 434.317 4.496 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CCSc1nnc(-c2ccccc2F)n1Cc1ccccc1 601915660 DTNKXGKKBFIYBH-UHFFFAOYSA-N 438.488 4.338 5 20 IIBD CCOc1cccc2cc([C@H](C)NC(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)oc12 603550119 YZOZALVZOYPUET-INIZCTEOSA-N 438.484 4.333 5 20 IIBD O=C(c1ccc(OC[C@H]2CCCO2)cc1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 603613618 CEROOZRMVSQKKO-GOSISDBHSA-N 438.402 4.357 5 20 IIBD COc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1NC(=O)C1CCCCC1 609698115 WZPJTSCOAPMNLQ-UHFFFAOYSA-N 427.457 4.140 5 20 IIBD Cc1c(C(=O)N(CCc2ccc(Cl)cc2)CC2CC2)nnn1-c1cccc([N+](=O)[O-])c1 609725835 BXTRURLOARLPHZ-UHFFFAOYSA-N 439.903 4.232 5 20 IIBD CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609756156 XMVRNBBLGHVIGF-GOSISDBHSA-N 429.498 4.273 5 20 IIBD CCCCN(C(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)C1CC(C)(C)NC(C)(C)C1 609762239 KZZKGPSWCRITPB-UHFFFAOYSA-N 428.533 4.400 5 20 IIBD CC(=O)N1CCC[C@H](C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)C1 609791480 DJDOBHOFNLPUFI-HNNXBMFYSA-N 449.866 4.054 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](COC)c2cccc(C(F)(F)F)c2)cc1OC 609816542 CZDYOXDCBWCPDC-OAHLLOKOSA-N 442.390 4.138 5 20 IIBD COC(=O)c1cc(NC(=O)[C@H](Oc2ccc(F)c(F)c2)c2ccccc2)cc([N+](=O)[O-])c1 609883322 ILZDUJXKKDABHI-HXUWFJFHSA-N 442.374 4.418 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)ccc1[N+](=O)[O-] 610068819 WQLHCIZTBOOSAA-UZLBHIALSA-N 448.479 4.040 5 20 IIBD C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 610070588 MDBNBEQVXQOJQC-ZDUSSCGKSA-N 438.311 4.159 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@H](c1ccccc1)N1CCCCC1=O 610221007 UEEBQKZESCSYQP-FQEVSTJZSA-N 436.493 4.411 5 20 IIBD C[C@@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C[C@@H](C)S1 610301091 PPIPDQDEEHNYRI-CHWSQXEVSA-N 431.480 4.182 5 20 IIBD O=C(N=c1nc(-c2cccnc2)[nH]s1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611207703 KEZDTAMPXOQSJY-UHFFFAOYSA-N 427.511 4.217 5 20 IIBD CC(C)(C)OC(=O)NCCc1ccc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 725746837 KZKXTRVTSALLHD-UHFFFAOYSA-N 433.892 4.245 5 20 IIBD COc1ccc([C@H]2CCCCCN2C(=O)COC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1 725935108 LJZQWDQEWFFZKB-LJQANCHMSA-N 448.422 4.182 5 20 IIBD Cc1c(C(=O)Nc2ccnc(Sc3ccccn3)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 726505494 HJYAGNBGOCUIIY-UHFFFAOYSA-N 425.426 4.313 5 20 IIBD COCCSc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1 728832075 ZYQRUTJYBBRXPO-CQSZACIVSA-N 433.486 4.349 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1ccc(N2CCOC2=O)cc1 729048752 KINNYMKZZUVNJL-INIZCTEOSA-N 426.473 4.233 5 20 IIBD COc1ccccc1C[C@H](C)CC(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 730654794 LLGPADGEHWJDCB-KBPBESRZSA-N 434.876 4.396 5 20 IIBD O=C1OC(c2c(Cl)cccc2[N+](=O)[O-])=N/C1=C/c1cccc(NC(=O)C(F)(F)F)c1 730958578 WYMIBNSZBOOKNI-XYOKQWHBSA-N 439.733 4.094 5 20 IIBD CCN(C(=O)COc1cc([N+](=O)[O-])c(C=O)cc1OC)[C@@H](C)c1cc2ccccc2o1 731616356 KHJBYAFOZWAVKG-AWEZNQCLSA-N 426.425 4.151 5 20 IIBD CCOc1cc(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)c([N+](=O)[O-])cc1OC 731840314 ZZWYTNXVEMDWOC-UHFFFAOYSA-N 429.429 4.500 5 20 IIBD Cc1c(C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)n[nH]2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 733806197 WGQXMHADHBLVBP-UHFFFAOYSA-N 438.444 4.455 5 20 IIBD CCOC(=O)c1oc2ccccc2c1CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 735044001 ZKEYDNHBPHSPMG-UHFFFAOYSA-N 446.843 4.256 5 20 IIBD O=C(CCc1nc(-c2cccs2)no1)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 735445734 WOHZJXPFACDJDM-UHFFFAOYSA-N 426.410 4.037 5 20 IIBD CN1C(=O)C[C@H](COC(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc(Cl)c1 737387894 QHKJMWYOYQIBAA-ZHRRBRCNSA-N 445.903 4.203 5 20 IIBD CC(C)CNC(=O)N1CCC[C@@H](C(=O)Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])C1 741438540 OZJZALHSXUICTC-LJQANCHMSA-N 425.485 4.245 5 20 IIBD COc1cc(COC(=O)[C@@H]2SCCc3sccc32)c([N+](=O)[O-])cc1OC(F)F 745634519 AGZRHYZZIUVBGO-OAHLLOKOSA-N 431.438 4.340 5 20 IIBD CSc1ccc(C(=O)N(C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C)cc1[N+](=O)[O-] 749505101 BVRYHUDBDKHYQR-HNNXBMFYSA-N 425.551 4.328 5 20 IIBD CCC[C@@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)Nc1cccc(N2CCCC2)c1 751244730 SLXQVVALYVPNNK-LJQANCHMSA-N 444.919 4.386 5 20 IIBD COc1cc(N2CCC(OC(=O)/C=C\c3ccc4ccccc4n3)CC2)ccc1[N+](=O)[O-] 752185021 UDJCRUBFGYKTKM-FLIBITNWSA-N 433.464 4.377 5 20 IIBD Cc1c(C(=O)NCC[C@H]2C[C@H](C)N(Cc3ccccc3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 753292508 FCBGAZMQTQUXDA-KXBFYZLASA-N 440.500 4.150 5 20 IIBD COc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2Br)cc1Br 758224503 DFJRWQFXFSDJIS-UHFFFAOYSA-N 444.079 4.058 5 20 IIBD COc1ccccc1-c1nc(C(=O)O[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cs1 759945185 GTDVOVLDEXKBLJ-RDJZCZTQSA-N 428.470 4.264 5 20 IIBD CCN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 760657955 PUVAHUYZMVDZHO-KRWDZBQOSA-N 432.318 4.094 5 20 IIBD CCN([C@H](C)c1cccc(OC)c1)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 760857226 VAZCPZVJXGAYJG-GFCCVEGCSA-N 443.319 4.138 5 20 IIBD O=C(NN1CCCC1=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2 762646175 INCPBHZKUSUVMI-VKAVYKQESA-N 442.475 4.287 5 20 IIBD CCOC(=O)c1nc(-c2ccccc2)oc1COC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 762907004 XZZPBYJUYYUSBK-UHFFFAOYSA-N 435.392 4.265 5 20 IIBD CSc1ccc(C(=O)COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cc1NC(C)=O 762998211 KCVQRQWITKRYQT-UHFFFAOYSA-N 448.472 4.118 5 20 IIBD Cc1nn(CN2CCO[C@@H](c3ccccc3Br)C2)c2ccc([N+](=O)[O-])cc12 764961849 GRIYORKHMVZFAG-LJQANCHMSA-N 431.290 4.046 5 20 IIBD O=C(O[C@H]1CCOc2cc(F)ccc21)c1cc([N+](=O)[O-])ccc1I 766304359 DPEAJJHXJOPJNK-AWEZNQCLSA-N 443.168 4.019 5 20 IIBD O=[N+]([O-])c1cccc(Br)c1OS(=O)(=O)c1cc(Cl)sc1Cl 769926659 OVFDVAYZTFBVQE-UHFFFAOYSA-N 433.088 4.493 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 769999355 WIVNTYWTXUOIEY-GFCCVEGCSA-N 426.807 4.250 5 20 IIBD C[C@@H](NC(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1cccc([N+](=O)[O-])c1 773498304 IJHOZJZIYLOXAC-MRXNPFEDSA-N 432.521 4.088 5 20 IIBD CCc1noc(CC)c1CC(=O)O[C@@H](c1ccc(Br)cc1)C(C)(C)[N+](=O)[O-] 774366796 MZMHVDGFSPNZFL-SFHVURJKSA-N 439.306 4.444 5 20 IIBD CCCC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2cccc(SC)c2[N+](=O)[O-])cc1 777074560 VONOFNHHLAIENL-CYBMUJFWSA-N 430.482 4.484 5 20 IIBD O=C(NCc1ccc(F)cc1)c1nnc(/C(Cl)=C\c2ccc([N+](=O)[O-])cc2F)s1 777916367 YREFUDNAXDLNNF-VGOFMYFVSA-N 436.827 4.391 5 20 IIBD COc1cc(COC(=O)[C@@H]2CSc3ccccc32)c([N+](=O)[O-])cc1OCC(F)F 780067173 IYIVJQRIIQJYFS-CYBMUJFWSA-N 425.409 4.180 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@H]3CCCc4cn(C(C)C)nc43)cc2)c(C)c1[N+](=O)[O-] 780419093 WPLPSINDTKBKIF-FQEVSTJZSA-N 436.516 4.041 5 20 IIBD COc1cc(-c2noc(CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)cc(Cl)c1OC 781610858 UHMUOYLOAJYXQO-UHFFFAOYSA-N 434.792 4.009 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN(C)Cc2nc(O)c3ccccc3n2)cc1OC 782037742 LUZHILHJDISMFS-OAHLLOKOSA-N 440.500 4.309 5 20 IIBD Cc1ccccc1CN1CCC(NC(=O)c2cccc([N+](=O)[O-])c2Br)CC1 782167958 VCACZCLUVJOXMI-UHFFFAOYSA-N 432.318 4.060 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cc(-c2ccncc2)nc2ccccc12 785418187 OVFPFEMZNOSLQS-UHFFFAOYSA-N 442.431 4.309 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCc1ccnc(Oc2ccccc2F)c1 785491026 DFLXJZKJRPTHJW-UHFFFAOYSA-N 440.387 4.078 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC(n2ccc(C(F)(F)F)n2)CC1 790272822 HQMKKOPTWMIGJJ-UHFFFAOYSA-N 432.786 4.092 5 20 IIBD COc1cc(CNCc2cccc([N+](=O)[O-])c2C)c([N+](=O)[O-])cc1OCC(F)(F)F 790998291 ILIWHGKOEZILMI-UHFFFAOYSA-N 429.351 4.051 5 20 IIBD COc1ccc(NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)cc1OCc1ccncc1 791211296 MBMPDIDXBMLWGV-UHFFFAOYSA-N 440.431 4.035 5 20 IIBD O=C(OCc1c(F)cccc1[N+](=O)[O-])c1nc(Br)ccc1Br 791558456 JEUSYBJVYVDGRL-UHFFFAOYSA-N 434.015 4.011 5 20 IIBD CCC[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H](O)c1ccccc1 792195881 SLWCLURACPYAPN-QZTJIDSGSA-N 425.407 4.315 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N(C)Cc2ccc(Br)cc2Cl)cc1[N+](=O)[O-] 792511676 OONZCCKYUZSTGU-UHFFFAOYSA-N 442.653 4.500 5 20 IIBD O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)OCc1ccc(Cl)c([N+](=O)[O-])c1 797045872 UISWYKXKGNLMGM-UHFFFAOYSA-N 432.281 4.199 5 20 IIBD Cc1coc(-c2cccc(NC(=O)CN(C)c3cc(Br)ccc3[N+](=O)[O-])c2)n1 797159084 QZFMMFRETWSLCA-UHFFFAOYSA-N 445.273 4.396 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(Cc1c(F)cccc1F)C1CCCC1 800629216 AIYLYWVSFBWOIH-UHFFFAOYSA-N 435.402 4.230 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)c([N+](=O)[O-])c1 800936004 FEGQWLKQWWKITH-UHFFFAOYSA-N 440.846 4.081 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1 801805586 ZZZCUKVGQOWPRH-UHFFFAOYSA-N 444.854 4.207 5 20 IIBD O=C(N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1cccc(Cl)c1[N+](=O)[O-] 809028185 NVIRGBQIDARTNA-GOSISDBHSA-N 428.794 4.399 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCC(OC3CCCCC3)CC2)c(Cl)cc1Cl 809812991 NZIVFEAMISUCSG-UHFFFAOYSA-N 437.345 4.404 5 20 IIBD C[C@H](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1cccc(S(=O)(=O)N(C)C)c1 809972626 XUJAAQMUDOFYNR-NSHDSACASA-N 432.329 4.003 5 20 IIBD Cn1ncc([N+](=O)[O-])c1NC(=O)c1cc(-c2nc3ccccc3s2)nc2ccccc12 813172239 HSLTWQBENBQECE-UHFFFAOYSA-N 430.449 4.406 5 20 IIBD O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCN(c2ccc3ccccc3n2)CC1 813460202 IMAQYWZBYBINKW-UHFFFAOYSA-N 431.279 4.412 5 20 IIBD CCCCCCNC(=O)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 815162764 IXGGUFMVCCOABO-AWEZNQCLSA-N 429.439 4.162 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 816328210 DRZXAWPJXZXKQD-GFCCVEGCSA-N 431.411 4.133 5 20 IIBD COc1cc(OC)c(C2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)c(OC)c1 913088211 NBWOUIBUORSVNP-RMKNXTFCSA-N 426.469 4.040 5 20 IIBD C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 914494275 NYWYQAJPZWNNFH-MRXNPFEDSA-N 425.485 4.065 5 20 IIBD O=C(Nc1ccc(OC[C@@H](O)COCc2ccco2)cc1)c1cc([N+](=O)[O-])ccc1Cl 914795138 IDDPATMNMJVVOY-INIZCTEOSA-N 446.843 4.050 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cc(Br)ccc1Cl 914797814 WSXXGWVRZOARIJ-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD C[C@H](OC(=O)C(F)(F)c1ccccc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 915586709 OKWLTPGGRHUVNM-LBPRGKRZSA-N 447.419 4.381 5 20 IIBD C[C@@H](OC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)NC12CC3CC(CC(C3)C1)C2 916523127 FRDOKCZTOWCHLK-GZAZSINKSA-N 432.542 4.092 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)nn1C(C)(C)C 918632130 CAJDBHDCBYTYOX-GOSISDBHSA-N 442.516 4.097 5 20 IIBD Cc1ccc(CC(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cn1 919488627 OQEFFQYPQJQNEQ-NRFANRHFSA-N 439.855 4.417 5 20 IIBD COc1ccc(NC(=O)CCN2CCC(Nc3ccccc3Cl)CC2)c([N+](=O)[O-])c1 1116348259 AYXSQNHXVBMYKM-UHFFFAOYSA-N 432.908 4.162 5 20 IIBD COC(=O)[C@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1Cl 1251922947 HQNDCYZCNZAEBX-MRXNPFEDSA-N 432.841 4.443 5 20 IIBD CC[C@@]1(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)CCN(C(=O)OC(C)(C)C)C1 1263291753 HLUCIQJTBZHNBH-JOCHJYFZSA-N 445.472 4.330 5 20 IIBD COc1ccc([N+](=O)[O-])cc1OC(=O)c1cc(C)nc2c1cnn2Cc1ccc(C)cc1 1317720027 KORJPYFQHAXPQD-UHFFFAOYSA-N 432.436 4.232 5 20 IIBD CC(C)(NC(=O)CCc1nc(O)c2c3c(sc2n1)CCCC3)c1ccc([N+](=O)[O-])cc1 1326574469 PLJLJIMITBRZAY-UHFFFAOYSA-N 440.525 4.168 5 20 IIBD C[C@@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1nc(-c2ccc(Cl)cc2)no1 1333720061 WEZKREHXBSRUIA-GFCCVEGCSA-N 427.848 4.127 5 20 IIBD C[C@H]1CCCN(C(=O)CCNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 1337777556 RXARDMMWEOSYAD-INIZCTEOSA-N 427.526 4.124 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)c1nnc(-c2ccc(COc3ccccc3)o2)o1 1341557541 YSAPVSCQXGIQRE-INIZCTEOSA-N 438.444 4.422 5 20 IIBD COc1ccc(CN(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@H](C)C2CC2)c(OC)c1 1346274754 QSFKPHYDKMUVFT-CQSZACIVSA-N 429.473 4.453 5 20 IIBD Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2ccccc2)cc(Cl)cc1[N+](=O)[O-] 1795616239 GIYMRPPDLHQXIC-REPLKXPHSA-N 441.915 4.051 5 20 IIBD Cc1ccc(C)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c(F)ccc([N+](=O)[O-])c2C)C3)c1 1803547144 NYRQLRNLTMSGOI-BCDXTJNWSA-N 439.487 4.225 5 20 IIBD CC/C=C(\C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(F)c2[N+](=O)[O-])n[nH]1 1821175144 URHNNUSAXFKYJB-SDSFWRRZSA-N 429.452 4.119 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/C2CC2)CC1 1824215064 SYXOHHPVRJIEBM-CLNPQZTCSA-N 443.519 4.242 5 20 IIBD Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)c(C)c1 1829949578 FQQSNRAIQOOMSS-OAQYLSRUSA-N 438.528 4.087 5 20 IIBD CC[C@@H](C)[C@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 1847208761 SUWXNNSLRQGEDX-SPTRTZJMSA-N 449.551 4.169 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 1847651715 BKUUXPYGEYBUCE-IBKKTLPTSA-N 441.528 4.009 5 20 IIBD COc1ccc(C(=O)COC(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc1Br 9621020 PTQQJJIFZYXRMF-UHFFFAOYSA-N 440.271 4.128 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)cc1OC 18969029 HECNKWZOLQKGKR-UHFFFAOYSA-N 443.239 4.104 5 20 IIBD COc1ccc(-c2nc(COC(=O)c3cc([N+](=O)[O-])ccc3OC)cs2)cc1OC 19285076 ZCMUBGCRSDRTDY-UHFFFAOYSA-N 430.438 4.101 5 20 IIBD COc1ccc(Br)cc1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 20922973 SIIYURYDFRRNNW-UHFFFAOYSA-N 448.317 4.238 5 20 IIBD C[C@@H](Sc1nc(COc2ccc(Cl)cc2)n[nH]1)C(=O)Nc1ccccc1[N+](=O)[O-] 21747847 OOPGCKYDSVCTHS-LLVKDONJSA-N 433.877 4.065 5 20 IIBD C[C@@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)N(C)Cc1nc2ccccc2s1 22795418 XHAXNEZXEAVEBG-LLVKDONJSA-N 433.873 4.062 5 20 IIBD Cc1c(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)nnn1-c1cccc([N+](=O)[O-])c1 24489306 SPMAEVQJCUNEHF-MRXNPFEDSA-N 429.889 4.104 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cnc2ccccc2c1C(F)(F)F 25985576 KKJAQHITGOJLAB-UHFFFAOYSA-N 433.342 4.266 5 20 IIBD Cc1cc(-n2c(C)cc(C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c2C)no1 26572937 BPULVFNCZCKDMI-CYBMUJFWSA-N 446.847 4.136 5 20 IIBD CC(=O)c1cc2c(cc1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCO2 28909650 ZUWBSBAPBLRAJE-UHFFFAOYSA-N 442.371 4.276 5 20 IIBD O=C(c1csc(-c2cccc(Cl)c2)n1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 57567409 DWTOTRCYMBXGDF-UHFFFAOYSA-N 428.901 4.334 5 20 IIBD COc1cc(C)ccc1Oc1ccc(NC(=O)CCn2cc([N+](=O)[O-])nc2C)cc1F 61193866 LJYGUBZAWYDRAY-UHFFFAOYSA-N 428.420 4.377 5 20 IIBD CN(C)C(=O)c1ccc(Cl)c(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 64908302 AQIMYSKWPCPNFM-UHFFFAOYSA-N 430.873 4.326 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCO[C@@H](c2ccc(Br)cc2)C1 109099324 BLUUTAIKQHJODD-LJQANCHMSA-N 448.317 4.068 5 20 IIBD COc1ccc(CC[C@@H]2CCCCN2C(=O)CNc2ccccc2[N+](=O)[O-])cc1OC 110282260 AZTKPUDXGACUIP-SFHVURJKSA-N 427.501 4.038 5 20 IIBD Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 110361889 CLFSYJSYBSIPLQ-INIZCTEOSA-N 426.904 4.154 5 20 IIBD COc1cc(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)c([N+](=O)[O-])cc1OC 111032476 ZNAVCCAVOIJTEI-UHFFFAOYSA-N 448.435 4.091 5 20 IIBD CCNc1ccc(C(=O)Nc2ccc(OCC(=O)N(CC)CC)c(Cl)c2)cc1[N+](=O)[O-] 116882354 QQENJTAEHDENBM-UHFFFAOYSA-N 448.907 4.180 5 20 IIBD O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 117223525 WOUGVBLOIKPQRO-UHFFFAOYSA-N 440.309 4.236 5 20 IIBD Cc1cc(N2CCC(NC(=O)Nc3ccccc3)CC2)c(Br)cc1[N+](=O)[O-] 302703445 VMKPSJUOCUJSCR-UHFFFAOYSA-N 433.306 4.456 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)Nc2c(F)cccc2Oc2ccccc2)cc1[N+](=O)[O-] 410035609 XGGCLTWRLJWJDF-UHFFFAOYSA-N 430.413 4.182 5 20 IIBD CCCc1[nH]nc(C(=O)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)c1[N+](=O)[O-] 426929345 PSAHXQQITXXOKG-UHFFFAOYSA-N 440.300 4.483 5 20 IIBD O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CC[C@H](OCc2ccccn2)C1 427159623 HLQIRCDULVXSRK-NRFANRHFSA-N 433.464 4.000 5 20 IIBD O=C(NC[C@H]1CCCN(Cc2cccs2)C1)c1cc(Br)cc([N+](=O)[O-])c1 431439983 XPXZSVBTNWFSIK-CYBMUJFWSA-N 438.347 4.061 5 20 IIBD C[C@@H](NS(=O)(=O)c1cc(Br)sc1Cl)c1cccc([N+](=O)[O-])c1 433635120 JQUPVKZYRPYALR-SSDOTTSWSA-N 425.713 4.112 5 20 IIBD CC(C)c1[nH]nc(C(=O)N(Cc2cc(Br)ccc2F)C2CC2)c1[N+](=O)[O-] 433685436 NVZQVWWIBOQSTM-UHFFFAOYSA-N 425.258 4.148 5 20 IIBD Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)o1 437302318 IDBWPVABHKRGAN-QGZVFWFLSA-N 432.358 4.245 5 20 IIBD Cc1cc(C)n(-c2cccc(NC(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)c2)n1 437751202 VPTJZYJLTOPTDL-UHFFFAOYSA-N 435.484 4.473 5 20 IIBD Cc1cc(C)c2nc(C3CC3)cc(C(=O)N3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)c2c1 438312331 BBYFRLLNEWVDQW-QGZVFWFLSA-N 431.496 4.359 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1cccc(Oc2ccncc2)c1 438664628 AKEAVGXLXGNJTK-UHFFFAOYSA-N 434.452 4.158 5 20 IIBD COc1cc(CNc2ccc3nc(O)n(C)c3c2)ccc1OCc1ccc([N+](=O)[O-])cc1 442970488 VULAKYJDHGSCNQ-UHFFFAOYSA-N 434.452 4.387 5 20 IIBD COC(=O)c1cc(Br)ccc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 443813211 RQUFXYRZDOJPSK-UHFFFAOYSA-N 447.163 4.415 5 20 IIBD COC(=O)CC1(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CCCCC1 444331109 UWSWNHGPCOBINM-UHFFFAOYSA-N 442.462 4.203 5 20 IIBD Cc1cc(Br)c2oc(C(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)cc2c1 444642540 IIDMIINTDORJKN-UHFFFAOYSA-N 429.230 4.218 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3cc4ccccc4c(O)n3)n2)c(Br)c1 445239115 YOPZUZZXPTXDKX-UHFFFAOYSA-N 427.214 4.252 5 20 IIBD CC(C)(c1noc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)n1)c1cccc(Cl)c1F 445595693 GORPEINANGDIGB-UHFFFAOYSA-N 447.854 4.096 5 20 IIBD COc1cc(Cc2noc(-c3cnn(C4CCCCC4)c3C)n2)c([N+](=O)[O-])c(OC)c1 445815323 JGGGSMHTLZFZCL-UHFFFAOYSA-N 427.461 4.263 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F 445993171 DGAZIVCZRJWNAV-RDJZCZTQSA-N 437.418 4.487 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1C[C@H]1c1c(F)cccc1Cl 446039719 QITGLRRTPCGUJS-ABAIWWIYSA-N 427.657 4.365 5 20 IIBD O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)N1CCc2ccc([N+](=O)[O-])cc2C1 446427025 YJAJPCMJRXZFDN-UHFFFAOYSA-N 426.860 4.206 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cn1)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 448110942 JPYDFIBVRNDYLG-GFCCVEGCSA-N 428.495 4.423 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)c1 460166484 OVQLUMKPHMBOOB-HXUWFJFHSA-N 431.920 4.139 5 20 IIBD C[C@@H]1[C@H](C(F)(F)F)CCCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCO1 461179876 NRFRZPRQEOMGTH-XOKHGSTOSA-N 439.438 4.200 5 20 IIBD Nc1c(Br)cc(Br)cc1CNCCc1cccc([N+](=O)[O-])c1 463242913 MGSLRVFZFHJAOP-UHFFFAOYSA-N 429.112 4.034 5 20 IIBD CCCN(CCc1cccs1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 463852232 AYIZLKUYXZTMEH-UHFFFAOYSA-N 433.349 4.062 5 20 IIBD O=C(NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(F)cc1[N+](=O)[O-] 467099142 AHSUGTVXXSKXCX-UHFFFAOYSA-N 426.275 4.435 5 20 IIBD CCOc1cc(C(=O)N2CCC(Cc3ccc(F)c(F)c3)CC2)c([N+](=O)[O-])cc1OC 469379142 NIEIXDGSBHXYAB-UHFFFAOYSA-N 434.439 4.375 5 20 IIBD O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)Nc1cc(F)cc([N+](=O)[O-])c1 470117669 OAQNIMKXUDXFND-LBPRGKRZSA-N 437.269 4.144 5 20 IIBD Cc1ccc(N(Cc2cccs2)S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)O)c2)cc1 471112069 IUEIMTJWXLLLKS-UHFFFAOYSA-N 432.479 4.058 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@@H](Cc1ccccc1Cl)c1ccccc1 472636347 FXADKFMOEJYNSV-FQEVSTJZSA-N 441.846 4.426 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N(Cc1cccc(Br)c1)CC1(O)CCCCC1 472992466 VXAFFCPCWPNKGV-UHFFFAOYSA-N 437.290 4.288 5 20 IIBD Cc1c(CC(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)cccc1[N+](=O)[O-] 475081804 HTXMNHBMQMRCEK-MRXNPFEDSA-N 436.295 4.064 5 20 IIBD O=[N+]([O-])c1ccc(CN[C@@H](CO)c2ccc(Br)cc2C(F)(F)F)c(F)c1 475620262 FHPDSZLQGLKQIY-HNNXBMFYSA-N 437.187 4.338 5 20 IIBD COc1ccc(-n2c(C)nnc2S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 477061111 FMBZPIWKQOJPIP-GFCCVEGCSA-N 438.469 4.396 5 20 IIBD CN(Cc1ncc(-c2ccccc2)[nH]1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 477129222 VCDAQIZHYQWUAX-UHFFFAOYSA-N 441.296 4.112 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNc3cc(S(=O)(=O)N4CCCC4)ccn3)s2)cc1 479763524 IMNVACRDYRVDTL-UHFFFAOYSA-N 444.538 4.115 5 20 IIBD COc1ccc(-c2ccc(NS(=O)(=O)c3c(C)cccc3[N+](=O)[O-])nc2)cc1Cl 481862821 KZNIHXBZAXRDRO-UHFFFAOYSA-N 433.873 4.428 5 20 IIBD COc1ccc(CSCC(=O)Nc2cc(C)cc(Br)c2O)cc1[N+](=O)[O-] 482603877 NKELLTYLWJFTDA-UHFFFAOYSA-N 441.303 4.252 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CSc1nc2ccccc2c(=O)n1Cc1cccnc1 485367935 MNFBHUOHOQSQCN-UHFFFAOYSA-N 434.477 4.049 5 20 IIBD COCCOc1ccc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1 485507546 TWRPVQHGSVEGEC-IAGOWNOFSA-N 427.501 4.355 5 20 IIBD Cn1cnnc1-c1cccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 486372117 YQBWVQQNVCUWQE-UHFFFAOYSA-N 429.436 4.222 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(Oc3ccccc3F)nc2)cc([N+](=O)[O-])c1 487103544 NNEPJPBSNHQFSZ-UHFFFAOYSA-N 425.372 4.350 5 20 IIBD Cc1occc1-c1cc(NC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])no1 490209292 MPQSKYIRQGSZTG-MRXNPFEDSA-N 442.428 4.356 5 20 IIBD COc1c(F)cc(S(=O)(=O)N(C2CC2)[C@@H](C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 490658072 ULGQXYRIKSHTEL-NSHDSACASA-N 428.869 4.310 5 20 IIBD O=C(NCC1(c2ccc(F)cc2)CCCCC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 494422573 CISGIBVEUVOXSU-UHFFFAOYSA-N 429.496 4.179 5 20 IIBD Cc1ccc(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c(OC[C@@H]2CCCO2)c1 495006088 LBDCNWVAAJPPCS-QFIPXVFZSA-N 439.512 4.335 5 20 IIBD O=C(CSc1nnc(-c2ccc(F)cc2)o1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 498147361 QCEAJLQORODMQO-GOSISDBHSA-N 446.485 4.150 5 20 IIBD O=C(c1csc(I)c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 498149280 HJFWHWSLOHCTEC-CQSZACIVSA-N 446.291 4.149 5 20 IIBD CC[C@H](NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)(F)F 498369061 IQUPLLUQRDVGMN-AZUAARDMSA-N 434.418 4.239 5 20 IIBD CCCOc1cc(NC(=O)C(=O)N[C@@H]2CC[C@H](C)C[C@H]2C)c([N+](=O)[O-])cc1OCCC 503389963 ORYYDARGGZCSPJ-ARFHVFGLSA-N 435.521 4.052 5 20 IIBD CCOc1ccc([C@H](C)N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)cc1[N+](=O)[O-] 504893205 CXFNGXKTYIDWAS-IRXDYDNUSA-N 430.524 4.296 5 20 IIBD CCOc1ccc([C@@H](C)NCc2cc(Br)c3c(c2)OCCO3)cc1[N+](=O)[O-] 504912117 QNIGBXNDOOAFML-GFCCVEGCSA-N 437.290 4.378 5 20 IIBD C[C@H](c1ccccc1F)N1CCC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1=O 505379732 MWKUOLAETPYKEF-JLTOFOAXSA-N 445.466 4.019 5 20 IIBD COc1cc(C(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])cc1OC(F)F 512286608 VVPSLHRRLAXGCV-CJNGLKHVSA-N 436.411 4.103 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 513266317 GZLMFJMANQCEDO-OAHLLOKOSA-N 443.308 4.282 5 20 IIBD Cc1occc1-c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)o1 515307708 XRARZHVRLMJVAC-UHFFFAOYSA-N 439.247 4.040 5 20 IIBD CC(C)COc1ccc(C(C)(C)CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 517361608 SXPNSKXGEXVBTD-UHFFFAOYSA-N 428.485 4.108 5 20 IIBD Cc1cccn2c(NC(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)c(-c3ccccc3)nc12 517559703 NIPIWSIZJNWLLD-UHFFFAOYSA-N 439.435 4.051 5 20 IIBD C[C@@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1cccc(OCc2ccccn2)c1 518827712 JMSIAERPPDUOGV-QGZVFWFLSA-N 436.468 4.008 5 20 IIBD COc1cc([C@H](C)N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(C)C 520970457 JOBBPMYNOFGZDF-JXFKEZNVSA-N 427.501 4.094 5 20 IIBD C[C@H]1CO[C@@H](c2ccccc2Cl)CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 522053954 UTQXNEJTKRVJLK-MEDUHNTESA-N 431.297 4.052 5 20 IIBD CCOC(=O)c1cc(S(=O)(=O)N(C)[C@@H](C)c2ccccc2Cl)cc([N+](=O)[O-])c1C 522567711 RCYAGJSPVSAJQC-ZDUSSCGKSA-N 440.905 4.115 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc(Cl)c1Cl 522811961 WRCVEAANNPXBGZ-QMMMGPOBSA-N 448.209 4.319 5 20 IIBD C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(OCc2cccnc2)cc1 524641930 ZWCKVRQBNJPUTG-AWEZNQCLSA-N 447.900 4.262 5 20 IIBD CCOc1cc(NC(=O)NCc2nc(C(F)(F)F)cs2)c([N+](=O)[O-])cc1OCC 525448247 UQCXQSZLUGRSPM-UHFFFAOYSA-N 434.396 4.189 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 531954915 DFOXMZSULAQKRG-WMZOPIPTSA-N 431.558 4.175 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 532551869 AZIQJOXGANMZRN-UHFFFAOYSA-N 439.491 4.326 5 20 IIBD Cc1noc(C)c1CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1c(C)noc1C 532978752 ITUYSVHEZDZCON-UHFFFAOYSA-N 438.444 4.057 5 20 IIBD CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 534957671 NJZHQCHNXIOOFY-UHFFFAOYSA-N 434.418 4.299 5 20 IIBD CC(C)CN(C(=O)[C@@H](C)OC[C@@H]1CCCO1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 538253524 IFFYFEGFOJNJFY-CVEARBPZSA-N 433.530 4.291 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](c2ccccc2)c2nc3ccccc3n2C)c1 538414537 LKVBSPJGNNZGBC-DEOSSOPVSA-N 444.491 4.465 5 20 IIBD Cc1ccc(Sc2ccc(CN[C@H]3CCC[C@@H](S(C)(=O)=O)C3)cc2[N+](=O)[O-])cc1 539519874 VHEDPIZYNOFHNT-PKOBYXMFSA-N 434.583 4.500 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12 540897603 OGUOQIQESYEUIS-MRXNPFEDSA-N 427.526 4.158 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 542057823 MTOAOYIZPJBQQX-GFCCVEGCSA-N 447.211 4.050 5 20 IIBD CC[C@@H](C)n1c(Sc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])nnc1-c1ccccc1 543032684 XEBPMJCFVKPNQN-LLVKDONJSA-N 438.556 4.441 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 543914375 GSDFYHDTPFTXED-WCQYABFASA-N 446.813 4.095 5 20 IIBD O=C(Cc1ccccc1)NCc1nc(-c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)no1 545069310 YBDHRZNUEMNLCG-UHFFFAOYSA-N 430.420 4.296 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(Cc3csc(COc4ccc(Cl)cc4)n3)n2)nc1 545079319 WADXWTGUGBVMJU-UHFFFAOYSA-N 443.872 4.243 5 20 IIBD COc1ccccc1C1(c2noc([C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)CC1 551499323 OEOHOMVUZPDUTO-LJQANCHMSA-N 448.479 4.352 5 20 IIBD CN(CCc1cccc(NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1)C1CC1 551759516 SPGGPWUSFNDBIR-UHFFFAOYSA-N 438.528 4.106 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H]1CCN(c2ccccc2F)C1 553621961 NLRWPZVCUDCZLR-CYBMUJFWSA-N 443.422 4.240 5 20 IIBD CCN(C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H](C)c1ccc(F)cc1 556513503 UCEVBAPYFCYKLO-NSHDSACASA-N 438.253 4.045 5 20 IIBD COc1ccc([C@H]2C[C@H](NC(=O)C(=O)Nc3ccc(C(C)(C)C)c([N+](=O)[O-])c3)C2)cc1F 556552987 FCYLSTQMYSQGGN-KOMQPUFPSA-N 443.475 4.041 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CC[C@H](C(=O)N2CCCC2)C1 561662244 HPIAANBOGWTJAL-INIZCTEOSA-N 443.887 4.125 5 20 IIBD CCN(CC)CC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 561720250 NIZOQSIEEHEJJG-UHFFFAOYSA-N 438.406 4.146 5 20 IIBD CCOc1cc(C(=O)N[C@@H]2CC[C@H](c3ccccc3)C[C@@H]2OC)c([N+](=O)[O-])cc1OC 564189799 HJHWWSQPAKIDOB-HQRMLTQVSA-N 428.485 4.083 5 20 IIBD O=C(Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1)c1cccc(-n2cccn2)c1 574483639 YJYAOUSWQXOFJB-UHFFFAOYSA-N 440.419 4.479 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCCN2c3ccccc3C[C@H]2C1 580384723 FQRMBOFVLUTFGA-QFIPXVFZSA-N 442.519 4.484 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nnc(Cc3cccc4ccccc34)o2)c1 582399901 NWEJWVXHDZFNCM-UHFFFAOYSA-N 438.465 4.139 5 20 IIBD COC(=O)c1ccc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)s1 590536148 RGBKLGKNMZUVDM-LBPRGKRZSA-N 426.454 4.263 5 20 IIBD O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N(Cc1ccc(F)cc1F)C1CCCC1 603530798 FUHSGHWIUKAZAP-UHFFFAOYSA-N 427.411 4.039 5 20 IIBD Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 603638375 NWCBISSCABQHAZ-UHFFFAOYSA-N 445.483 4.219 5 20 IIBD CNc1ccc(C(=O)Nc2ccc(OC)c(NC(=O)c3cccc(F)c3)c2)cc1[N+](=O)[O-] 603672987 CGGRJHNZASAIEK-UHFFFAOYSA-N 438.415 4.289 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] 603985469 KSSZGKBCUJUAAV-HOTGVXAUSA-N 445.541 4.089 5 20 IIBD COc1ccc(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cc1OCc1ccncc1 609490399 YEUOFRGQSBFEPH-UHFFFAOYSA-N 446.419 4.084 5 20 IIBD CCCOc1cc(NC(=O)N2CCC[C@H]2[C@H](O)C(F)(F)F)c([N+](=O)[O-])cc1OCCC 609842666 AXKXPMZTCRYJPK-GUYCJALGSA-N 449.426 4.092 5 20 IIBD O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 609875056 MHJISUFYZSHXMJ-ZDUSSCGKSA-N 430.823 4.457 5 20 IIBD CC(=O)N[C@@H]1Cc2ccccc2N(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 610977698 NWRSCSHZZIOKKM-LJQANCHMSA-N 447.516 4.454 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1 611277998 KDZAYFSKLZEENH-UHFFFAOYSA-N 431.492 4.271 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1ncc(Cc2cc(F)cc(F)c2)s1 618337905 GDFKTEOGSBTWTC-UHFFFAOYSA-N 444.423 4.118 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2)cn1 619507538 JGERLMWALQMHGF-UHFFFAOYSA-N 435.845 4.245 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C 725799103 RFOVMSXNYFATSU-PMACEKPBSA-N 446.548 4.096 5 20 IIBD CC(C)(C)OC(=O)N1CCc2cc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)ccc21 726511401 SMQHIAOQGNRXSG-UHFFFAOYSA-N 449.467 4.330 5 20 IIBD O=C(NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 730690754 CVUSEYODXOCCHQ-GHMZBOCLSA-N 449.699 4.164 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl 730967125 SPFHGCQEWJGAAA-UHFFFAOYSA-N 442.209 4.047 5 20 IIBD O=C(NCCCNc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(Br)cc1 731209862 ABRYJCIGQGDHPX-UHFFFAOYSA-N 435.303 4.199 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 731586871 NSAVIKAMTHWIRM-UHFFFAOYSA-N 439.449 4.463 5 20 IIBD Cc1nc2c(s1)[C@@H](OC(=O)c1ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc1)CCC2 733066520 FUHIUQYHYIKIFR-SFHVURJKSA-N 426.498 4.456 5 20 IIBD C[C@H](OC(=O)CO[C@H]1CCCC[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 733572430 XFWRDXNHTYNISM-WQGACYEGSA-N 432.395 4.079 5 20 IIBD Cc1ccc(C(=O)N2CCC[C@@H](C(=O)OCc3cnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)cc1 735442728 GYYBBIOTGMMENT-LJQANCHMSA-N 449.463 4.154 5 20 IIBD COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1 735999711 FZAJIGKIAIBLKU-LIRRHRJNSA-N 430.457 4.474 5 20 IIBD C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 738774260 GFCXTJPGMUWHBC-NSHDSACASA-N 428.338 4.113 5 20 IIBD Cc1ccc(N2CCC[C@H](NC(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)C2)cc1 742017748 PSZANPMJJHQXTQ-QFIPXVFZSA-N 447.539 4.164 5 20 IIBD CCOc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 744554954 ZPVBJAWAJRGXBQ-INIZCTEOSA-N 441.484 4.168 5 20 IIBD O=C(COC(=O)c1cnc2ccsc2c1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 745403413 ZJOCBSYWPVHIAU-UHFFFAOYSA-N 425.344 4.019 5 20 IIBD C[C@H](OC(=O)[C@H]1C[C@@]12CCCc1ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 745715845 HGGOKXRWCPUSDR-OIAISFKWSA-N 428.872 4.413 5 20 IIBD CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 746832841 BNMXMPYAUVTASI-CQSZACIVSA-N 431.411 4.085 5 20 IIBD Cc1ccc(-n2c(SC[C@@H](O)c3cccc([N+](=O)[O-])c3)nnc2-c2ccccn2)cc1 749689644 VENDLBWUFKTSLT-HXUWFJFHSA-N 433.493 4.372 5 20 IIBD O=[N+]([O-])c1cccc([C@@H](O)CS(=O)(=O)Cc2ccc(Oc3ccccc3)c(F)c2)c1 749717689 FSHXZBVBWNUDBH-FQEVSTJZSA-N 431.441 4.175 5 20 IIBD O=C(Nc1cc(F)c(I)c(F)c1)c1cccc(Cl)c1[N+](=O)[O-] 749932946 DTERUMBKVMZNCX-UHFFFAOYSA-N 438.555 4.383 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc(Br)cc1[N+](=O)[O-] 750817844 WHSSYGMMORVIHP-UHFFFAOYSA-N 428.626 4.191 5 20 IIBD O=C(NCC1([C@@H](O)c2ccccc2)CC1)c1cc(Br)cc([N+](=O)[O-])c1Cl 752345006 GKZZZFLJLQTGPA-INIZCTEOSA-N 439.693 4.254 5 20 IIBD C[C@@H]1C[C@@H](CCNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 753149373 LZMFTODTIFCPLA-CABCVRRESA-N 445.903 4.436 5 20 IIBD Cc1ccc(C(=O)O[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)nc1 753484869 GYYCBDKBRJZDOA-LJQANCHMSA-N 425.828 4.488 5 20 IIBD CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)Cc2ccccc2C1 753631899 WNFWWTFAFMSYSX-UHFFFAOYSA-N 448.479 4.144 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H](OC(C)(C)C)c2ccccc2)c([N+](=O)[O-])c1 754313613 SHOOJANSPQIVMT-KUHUBIRLSA-N 430.457 4.030 5 20 IIBD Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 755030121 MNVREYHTLGZXSA-UHFFFAOYSA-N 448.321 4.062 5 20 IIBD C[C@H](OC(=O)C(F)(F)c1c(F)cccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 757826899 KHJRJCUZRGAJQU-QMMMGPOBSA-N 434.729 4.189 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl 759807504 ZOGBTAWYSFHJSR-HNNXBMFYSA-N 440.953 4.243 5 20 IIBD CC[C@H](C)n1ncc(C(=O)OC[C@@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])c1C1CC1 760987908 SWTROMOBWSGKMI-RDJZCZTQSA-N 440.500 4.101 5 20 IIBD CC(C)(C)OC(=O)N(CC(=O)O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 761116022 YXZKKXOZTRXIHS-ROUUACIJSA-N 444.488 4.260 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC(C3(C)OCCO3)CC2)cc1 761582928 RFFWSWJDODGSBE-UHFFFAOYSA-N 442.468 4.011 5 20 IIBD Cc1ccc(-c2noc(Cn3cnc4sc(-c5ccccc5)cc4c3=O)n2)cc1[N+](=O)[O-] 761639610 ZIFBTZLNDXHCDU-UHFFFAOYSA-N 445.460 4.440 5 20 IIBD CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 762657295 AALLSRPIEZZQDJ-QHCPKHFHSA-N 443.519 4.169 5 20 IIBD CCOc1ccc(-c2nc(COC(=O)c3cc([N+](=O)[O-])c4nsnc4c3)co2)cc1 762967891 DQRWSMCKVMLGSR-UHFFFAOYSA-N 426.410 4.010 5 20 IIBD CC(C)[C@H](OC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(=O)N[C@H]1CCOc2ccccc21 763714965 GNZAXWOFBINNBK-LPHOPBHVSA-N 432.860 4.070 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)OC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)n2)cc1F 763868487 AGOQYPKNXPBQMB-CYBMUJFWSA-N 437.387 4.196 5 20 IIBD C[C@H](c1cc2ccccc2o1)N(C)C(=O)COC(=O)c1ccc([N+](=O)[O-])c2cccnc12 766229347 CXAGZKUFPOFGLC-CQSZACIVSA-N 433.420 4.266 5 20 IIBD Cc1sc(S(=O)(=O)Nc2ccc(CC[C@H](O)c3ccccc3)cc2)cc1[N+](=O)[O-] 767456908 MSLKQIWTTHJCFI-IBGZPJMESA-N 432.523 4.432 5 20 IIBD CC[C@@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C 769484622 KZXVTTJZNBQNID-CJNGLKHVSA-N 442.354 4.483 5 20 IIBD C[C@H](CSCc1ccccc1)C(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 772976040 SLOXHBVXHJJPLQ-QGZVFWFLSA-N 429.542 4.319 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 773371018 UFKBJLYXNDRYEF-INIZCTEOSA-N 449.573 4.325 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Br)c1cnc(Oc2ccccc2)cn1 773792020 YIRYHMLWKJVPFS-UHFFFAOYSA-N 430.214 4.297 5 20 IIBD CCOc1cc(C(=O)Oc2cc(Cl)cnc2Br)c([N+](=O)[O-])cc1OC 775506107 ANCQVONBBBAPKN-UHFFFAOYSA-N 431.626 4.032 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCc2ncc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2C1 776969959 LUTNSFLRJGYBDW-HNNXBMFYSA-N 427.461 4.016 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCc2ncc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2C1 777007612 OAHQVCQAKKNVSL-SCBHQAGPSA-N 438.484 4.024 5 20 IIBD O=C1OCCN1c1ccc(S(=O)(=O)Nc2cccc(-c3cccs3)c2)cc1[N+](=O)[O-] 777620992 NBDYZXRZGZZUDX-UHFFFAOYSA-N 445.478 4.081 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)c2c1N(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCC2 777691434 ZWRMZCMOMXLVLX-UHFFFAOYSA-N 447.513 4.392 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)CN(C)C(=O)c1ccc(Br)s1 778784845 VLZJNAUNJKXSCZ-NSHDSACASA-N 441.303 4.104 5 20 IIBD Cc1ccc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1NC(=O)c1ccncc1 781632287 SLJKTDGPXAUZPX-UHFFFAOYSA-N 449.423 4.030 5 20 IIBD O=C(Nc1ccc(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cc1)c1cccs1 781634952 BFIPZTHZRBAYGU-GOSISDBHSA-N 436.449 4.040 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCCCO[C@H]1CCCc2ccccc21 781640251 XVROKJVQFJEKGZ-NRFANRHFSA-N 427.457 4.036 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCCCC[C@H]1C[C@H](O)c1ccccc1 782014352 WZBWQWBLFABDKC-UGKGYDQZSA-N 441.484 4.331 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cc(-c2cccnc2)nc2ccccc12 785418776 AJFAACPZPHDXDR-UHFFFAOYSA-N 443.415 4.429 5 20 IIBD Cc1ccc(-c2nc(COC(=O)COc3ccc([N+](=O)[O-])c4cccnc34)cs2)o1 786785786 FMDISTKXZAETIY-UHFFFAOYSA-N 425.422 4.290 5 20 IIBD C[C@H](NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 786998960 LLZCJGYBDJYDPO-KRWDZBQOSA-N 440.500 4.004 5 20 IIBD C[C@@H]1C[C@H](O)CN1Cc1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1 788268958 JFSQCRTZMZIEJO-RISCZKNCSA-N 446.510 4.219 5 20 IIBD O=C(COc1cc(F)c(Br)cc1[N+](=O)[O-])Nc1ccc(Cl)c([N+](=O)[O-])c1 790519359 HDHVDALIXMASGO-UHFFFAOYSA-N 448.588 4.076 5 20 IIBD O=[N+]([O-])c1ccc(NC(=S)Nc2cccc(NS(=O)(=O)Cc3ccccc3)c2)cc1 793308334 GPPNDRGQJYACKN-UHFFFAOYSA-N 442.522 4.346 5 20 IIBD O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1CN1CCC[C@@H]1c1cccc(F)c1 795414919 ZMUPARNDERXORY-QGZVFWFLSA-N 434.265 4.247 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)O[C@@H](C)C(=O)c1ccc(NC(=O)C(C)C)cc1 795710553 JCOKBBHYVJSLNR-AWEZNQCLSA-N 428.441 4.016 5 20 IIBD CC[C@@H]1c2ccsc2CCN1C(=O)COC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 802652241 BFEGYWNPOFYJKE-SUMWQHHRSA-N 434.539 4.216 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccc(F)cc1OC1CCOCC1 804362245 WTRUZLMLEJCRJI-UHFFFAOYSA-N 426.803 4.265 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)C2(c3ccccc3)CC2)c([N+](=O)[O-])cc1OC(F)F 808492856 IGCBMIZXOLGTJV-LBPRGKRZSA-N 435.379 4.051 5 20 IIBD Cc1ccc([C@@](O)(Cc2noc(C(C)(C)c3ccc([N+](=O)[O-])cc3F)n2)C(F)(F)F)o1 809450912 DUXFSGALESYLGF-SFHVURJKSA-N 443.353 4.337 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC(c2noc3cc(F)ccc23)CC1 809860866 CENMFKJHIIHPJZ-UHFFFAOYSA-N 439.852 4.097 5 20 IIBD Cc1csc(Nc2ccc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3C)cc2)n1 811319786 AASZSYYXLORRPX-UHFFFAOYSA-N 426.454 4.207 5 20 IIBD CCNc1ccc(C(=O)Nc2cc(C)c(F)cc2C(=O)NCC(F)(F)F)cc1[N+](=O)[O-] 813288939 JFQWJVUKPNQXFG-UHFFFAOYSA-N 442.369 4.019 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@H](c1ccccc1)[C@@H](O)c1ccccc1 813715710 VMENKGRNYFWSPE-UXHICEINSA-N 432.885 4.001 5 20 IIBD CC(C)[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)N1CCCC[C@H]1C 878472287 FZYMEXIVVAFQHO-CJAUYULYSA-N 434.536 4.124 5 20 IIBD COCCOC(=O)c1sc2nc(/C(Cl)=C\c3ccc([N+](=O)[O-])cc3)nc(O)c2c1C 916127718 GGUCJOOCSPGOCZ-UKTHLTGXSA-N 449.872 4.154 5 20 IIBD CCCOc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 917742963 MDWLEXIHBNWUMN-GFCCVEGCSA-N 435.839 4.168 5 20 IIBD COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 918096778 BPTJRGSFGBBFAY-QGZVFWFLSA-N 446.257 4.075 5 20 IIBD COc1cc(CN[C@H]2CCCc3cnn(C(C)C)c32)c([N+](=O)[O-])cc1OCC(F)(F)F 1254927027 HUBCICATUKNDES-HNNXBMFYSA-N 442.438 4.489 5 20 IIBD COc1ccc([C@@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])c2ccc(OC)cc2OC)cc1 1318380402 BWDRCJZCMRQITI-JOCHJYFZSA-N 440.427 4.279 5 20 IIBD COc1cc(F)cc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 1319110415 BLVPXWOXEODEED-UHFFFAOYSA-N 442.369 4.115 5 20 IIBD CC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)nc1 1320944602 PVLVKRZICRKYOE-UHFFFAOYSA-N 439.859 4.466 5 20 IIBD Cc1cccc(-c2nnc([C@H](C)OC(=O)c3cc(Br)cc([N+](=O)[O-])c3N)o2)c1 1321372586 ZZFNAUJZVDHERU-JTQLQIEISA-N 447.245 4.216 5 20 IIBD COc1cc(C(=O)NCCc2ccc(OC(C)(C)C)cc2)c([N+](=O)[O-])cc1OC(F)F 1340953718 ZJDVGNIIVINBLY-UHFFFAOYSA-N 438.427 4.355 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(Cn3ccc4cc([N+](=O)[O-])ccc43)o2)C1 1341759722 XXOAZHDWWSTRQR-HNNXBMFYSA-N 427.461 4.095 5 20 IIBD CC(=O)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CCC2)cc1 1787635668 LPHXMINKRXOLBK-UHFFFAOYSA-N 437.477 4.146 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CC=CCC4)CCC3)cc2)ncc1[N+](=O)[O-] 1788766574 FXGQBPNBDSCFQO-KRWDZBQOSA-N 434.496 4.402 5 20 IIBD COc1cc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CC4(F)F)cc3)CCC2)ccc1[N+](=O)[O-] 1789135420 TVSCAMPXABMIST-INIZCTEOSA-N 445.422 4.006 5 20 IIBD O=C(/C=C/c1cccc(O)c1)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1 1790186063 FLZVTUOHCAOOHT-LFYBBSHMSA-N 446.463 4.090 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2cc[nH]c12 1797647993 FPUOPKSHRBEICV-FCJRBGQTSA-N 444.491 4.041 5 20 IIBD CCCCC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[C@H]1c1cccnc1 1802269582 NDUWTAOIZYHXEV-YRISNDGFSA-N 442.516 4.119 5 20 IIBD CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)[nH]n1 1816821519 NTBBMFYJADEBJG-MRXNPFEDSA-N 433.896 4.386 5 20 IIBD CC(C)[C@@H](C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1)c1ccccc1 1847057062 DUWWTPLODXYGDA-XIQMRYHBSA-N 447.535 4.251 5 20 IIBD CCCn1c2ccccc2c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)nc21 10007447 GKJHQDUXOZOORK-UHFFFAOYSA-N 436.497 4.337 5 20 IIBD CS(=O)(=O)c1ccc(NC(=O)COC(=O)c2c3ccccc3cc3ccccc23)cc1 10941282 ZBIYQGWXILYNTM-UHFFFAOYSA-N 433.485 4.192 5 20 IIBD Cc1csc(Sc2ccc(C(=O)O[C@@H](C)C(=O)N3CCCCCC3)cc2[N+](=O)[O-])n1 16903663 HHAUMAVTAQRURP-AWEZNQCLSA-N 449.554 4.459 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(C)n(C2CCCCC2)c1C 17941170 HISZDDANOYEILZ-UHFFFAOYSA-N 429.473 4.322 5 20 IIBD C[C@H](Sc1nc2ccccc2c(=O)n1C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 18964496 HMODRIKGZQHBGY-NSHDSACASA-N 444.900 4.412 5 20 IIBD C[C@H](OC(=O)Cc1coc2cc3c(cc12)CCC3)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 21689144 CNHZPRKUUZUKMP-LBPRGKRZSA-N 426.400 4.082 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3ccc(O)cc3)CC2)c([N+](=O)[O-])c1 32799718 YGSZLSAHBNLIKC-XMMPIXPASA-N 446.507 4.111 5 20 IIBD C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 59812575 GRIZNBXJFAMGIY-OAHLLOKOSA-N 437.427 4.242 5 20 IIBD COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)COc1cccc([N+](=O)[O-])c1)CC2 68851754 WFFPHJUJFVNHCO-VWLOTQADSA-N 448.475 4.165 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 69726050 AJSXSOGQXIKRPC-QVKFZJNVSA-N 437.883 4.272 5 20 IIBD COc1cccc(OC)c1OC1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 108096172 ZSIFSOSYRJJQJN-UHFFFAOYSA-N 437.290 4.422 5 20 IIBD Cc1cc(Br)ccc1NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 110323647 MRRWKUFYJHRENG-GOSISDBHSA-N 446.301 4.217 5 20 IIBD CNS(=O)(=O)c1ccc([C@@H](C)NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 237388758 ZTVBRPUVNAFMEB-CQSZACIVSA-N 431.539 4.082 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(N[C@H](Cc3ccccc3)C(=O)Nc3ccccc3)cc2N1 301826621 MZIOGKSKJRSOTP-OAQYLSRUSA-N 430.464 4.141 5 20 IIBD CSCC[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nnc2ccccn12 302851048 RWHLCFRQUWDIFB-AWEZNQCLSA-N 427.511 4.076 5 20 IIBD Cc1ccc(-c2csc(NC(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1[N+](=O)[O-] 302922825 XKLLFXGMGKNJEY-KRWDZBQOSA-N 436.493 4.014 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 303046821 QUZVPTWZHRVPHN-UHFFFAOYSA-N 440.312 4.483 5 20 IIBD CC(C)CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 303170677 WRSKPGBRJXNKJM-IAGOWNOFSA-N 427.501 4.015 5 20 IIBD COc1ccc(CN[C@@H](C(=O)O)c2cccs2)cc1OCc1ccc([N+](=O)[O-])cc1 426786913 ZJRYKGUPYCZVTJ-HXUWFJFHSA-N 428.466 4.159 5 20 IIBD COc1ccc(CCn2c(C)cc(C(=O)COc3ccc([N+](=O)[O-])c(CO)c3)c2C)cc1 428090448 KXDBVAMRKBRBFX-UHFFFAOYSA-N 438.480 4.018 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2C)cc1[N+](=O)[O-] 428891773 YAFZCOGGOSVJQN-OAHLLOKOSA-N 448.545 4.171 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N(c1ccccn1)C1CCCC1 430281814 YPEDWTXMWSXQLU-UHFFFAOYSA-N 437.237 4.184 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 433324584 BRESHBPPKXDRSC-UHFFFAOYSA-N 447.582 4.292 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 433330753 JWZMCDOJLWOJJW-UHFFFAOYSA-N 435.933 4.467 5 20 IIBD Cc1ccc(C)c(-n2ncc(C(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)c2C)c1 435358390 ZJOMOFDMTJSCTC-UHFFFAOYSA-N 434.496 4.389 5 20 IIBD O=C(NCc1ccc(Cn2cccn2)cc1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 435866981 JOEBPJFOYDJLGE-UHFFFAOYSA-N 444.441 4.134 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 436345819 ZCSCQEFEFJAETE-AEFFLSMTSA-N 438.484 4.300 5 20 IIBD COc1cc(C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)c([N+](=O)[O-])cc1OC 436447986 LRHXBRHVPYHGMO-HNNXBMFYSA-N 436.745 4.438 5 20 IIBD COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1ccc(O)c([N+](=O)[O-])c1)CC2 436628380 PUDWJALNKUUYIV-QHCPKHFHSA-N 434.448 4.106 5 20 IIBD CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1cccc([N+](=O)[O-])c1O 436771883 BLVPMYPRXRPWJV-UHFFFAOYSA-N 426.448 4.315 5 20 IIBD O=C(NCc1ccc(NC(=O)c2ccncc2)cc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437152075 OAVHHANAYVBUDL-UHFFFAOYSA-N 444.369 4.191 5 20 IIBD O=C(N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 437485398 RDCPNWBUGRBJHY-YEORSEQZSA-N 430.329 4.490 5 20 IIBD O=[N+]([O-])c1ccc(-c2ncn(Cc3cccc(Br)c3OC(F)F)n2)cc1 443517417 PLHIHENWICJRPC-UHFFFAOYSA-N 425.189 4.266 5 20 IIBD CCc1ccc2c(c1)[C@@H](CCNC(=O)c1ccc3[nH]c4ccccc4c(=O)c3c1)C(=O)N2 444009212 JFGRLGIRTOIXPH-QGZVFWFLSA-N 425.488 4.100 5 20 IIBD Cn1cc(-c2ccccc2CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cn1 444256444 LPGZBANXTCLFQN-UHFFFAOYSA-N 444.441 4.290 5 20 IIBD Cc1cc([C@H]2CN(C(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)CCO2)ccc1F 444285128 GVIQNLDIDUDFSI-OAQYLSRUSA-N 434.442 4.482 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CC[C@@H](n2ncc3ccccc32)C1 444287704 CINHVNFINGGKMS-MRXNPFEDSA-N 426.451 4.257 5 20 IIBD COc1cc([C@H](C)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)ccc1OCc1ccncc1 444686963 FHPINLOSELZZNL-HNNXBMFYSA-N 433.468 4.305 5 20 IIBD Cc1ccc(F)c(-c2cc(NC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)n[nH]2)c1 444809549 YGPJNQBQVQSIGD-UHFFFAOYSA-N 430.414 4.910 5 20 IIBD CCOc1ccc(NC(=O)Cc2noc([C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 445329713 FLEZGMNZEOAZOL-GFCCVEGCSA-N 446.847 4.351 5 20 IIBD COc1cc(Cc2noc(Cc3csc(-c4ccc(C)o4)n3)n2)c([N+](=O)[O-])c(OC)c1 445818575 KWWJUWUFTUWFCA-UHFFFAOYSA-N 442.453 4.202 5 20 IIBD COc1cc(Cc2noc(-c3ccc(OCC(F)(F)F)cc3)n2)c([N+](=O)[O-])c(OC)c1 445824154 LFKJVHOFMVBDLZ-UHFFFAOYSA-N 439.346 4.194 5 20 IIBD CCCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H](C)C(=O)Nc1ccccc1 446135343 CDLKOAQZBINFKB-AWEZNQCLSA-N 448.317 4.166 5 20 IIBD C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 446946190 OJZZPHMQSVGCCL-IRXDYDNUSA-N 436.512 4.303 5 20 IIBD COc1ccc(NC(=O)C(=O)NC2(c3c(Cl)cccc3Cl)CCC2)cc1[N+](=O)[O-] 447473151 PWSRTEDHTBFBGX-UHFFFAOYSA-N 438.267 4.044 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CCN(c3cccc4cnccc34)C[C@@H]2C)c1Br 447678729 AYCNQHGLISACCM-ZDUSSCGKSA-N 442.317 4.324 5 20 IIBD COc1cc(C(=O)N[C@@H]2C[C@H]2C2CCCCC2)c([N+](=O)[O-])cc1OCc1cscn1 447764873 BVAXBQGRWSQVIV-DOTOQJQBSA-N 431.514 4.338 5 20 IIBD O=[N+]([O-])c1cccc(N(CCCC2CCOCC2)S(=O)(=O)c2ccc(F)c(F)c2)c1 447781996 DTSWIXUNMJBNQI-UHFFFAOYSA-N 440.468 4.275 5 20 IIBD Cc1ccc(C(=O)N2CCN([C@H](C)c3ccc(Br)cc3)CC2)cc1[N+](=O)[O-] 460578988 ZDZFGJZOVYDKBZ-OAHLLOKOSA-N 432.318 4.185 5 20 IIBD CSC1(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CCN(C)CC1 460970369 PZMKLHDBJCCDDT-UHFFFAOYSA-N 431.583 4.303 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 461300722 JUNSOPCJDPGTSM-WMLDXEAASA-N 430.448 4.266 5 20 IIBD Cc1cc(=NC(=O)c2ccc(NC(=O)c3cccs3)cc2)c2cc([N+](=O)[O-])ccc2[nH]1 462579770 OBIXOVHUDGTIAJ-UHFFFAOYSA-N 432.461 4.439 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)C[C@@H](O)COc1ccccc1C(F)(F)F 463952396 SEWUGWCJQVDMOX-CQSZACIVSA-N 441.406 4.134 5 20 IIBD O=C(c1csc(Cc2ccccc2F)n1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464633711 GCSAWMRADUDIEJ-UHFFFAOYSA-N 441.484 4.465 5 20 IIBD O=C(NCc1ccc(OCc2ccccn2)cc1)NCc1ccc([N+](=O)[O-])cc1Cl 466551395 KGWFIAZOYPQXKC-UHFFFAOYSA-N 426.860 4.222 5 20 IIBD CNC(=O)[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 466790821 NTRQSBITJPJWRJ-KRWDZBQOSA-N 433.917 4.140 5 20 IIBD CN(C)Cc1nc(C2(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CCCCCC2)no1 467181315 NHZMPKHBOJSCDM-UHFFFAOYSA-N 443.529 4.234 5 20 IIBD CCOc1ccccc1Oc1ccc(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cn1 467407630 USVFLDGHIFILGZ-UHFFFAOYSA-N 449.510 4.029 5 20 IIBD CCC[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(F)cc1F 468629352 VEISXYWQNIEINM-AWEZNQCLSA-N 443.353 4.071 5 20 IIBD CN(c1ccccc1)c1ccc(CNCc2ccc(S(C)(=O)=O)s2)cc1[N+](=O)[O-] 468788554 BZBCORBMSJRDCK-UHFFFAOYSA-N 431.539 4.118 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N2C[C@H](C)O[C@@H](C3CC3)C2)cc1[N+](=O)[O-] 470694295 PXOQFDRPFILRCM-VBKZILBWSA-N 440.521 4.187 5 20 IIBD O=C(NC[C@H]1CCN(Cc2ccccc2)C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 473300366 JAUAQFPVUXOTIS-GOSISDBHSA-N 429.495 4.072 5 20 IIBD COc1cc(CNc2nnc(CC(F)(F)F)s2)c([N+](=O)[O-])cc1OCC(F)(F)F 475057642 DMWAUUNQRFJRJC-UHFFFAOYSA-N 446.329 4.113 5 20 IIBD CC[C@H](C)NC(=O)c1cccc(CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 475204019 IODOJZMUMYOEQX-LBPRGKRZSA-N 438.406 4.464 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1nc(SCc2ccccc2)ns1 476144290 JNRODYYSXAXIJG-UHFFFAOYSA-N 429.527 4.445 5 20 IIBD CC(C)c1[nH]nc(C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)c1[N+](=O)[O-] 476778713 MEPQQAUDPWWSSW-LBPRGKRZSA-N 426.304 4.147 5 20 IIBD COc1cc(CNCCc2nn(C)c3ccccc23)ccc1OCc1ccc([N+](=O)[O-])cc1 479403162 YJXAVRZMOLIAOR-UHFFFAOYSA-N 446.507 4.401 5 20 IIBD CCN(CC)C(=O)Cc1ccc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1 481654773 ILFCEABJHFBXTL-UHFFFAOYSA-N 432.908 4.023 5 20 IIBD COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 483874123 SWFMKQSAUOBNRB-JTQLQIEISA-N 426.256 4.035 5 20 IIBD O=[N+]([O-])c1ccc2nc(CSc3nnc(-c4cccnc4)n3Cc3ccco3)[nH]c2c1 484503211 RWKXZUJYIDAGTF-UHFFFAOYSA-N 433.453 4.058 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 484708160 OPCWJRUWWKHTKC-HXUWFJFHSA-N 437.521 4.194 5 20 IIBD COc1cc(C(=O)N(C2CC2)[C@H](C)C(=O)O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 485605118 CEYQNPUXIBWKOT-LLVKDONJSA-N 434.832 4.127 5 20 IIBD O=C(NC[C@H](Cc1ccc2ccccc2c1)C(=O)O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 486403762 ZYAVFLIUZFSBKE-INIZCTEOSA-N 446.381 4.440 5 20 IIBD C[C@@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1cnn(Cc2ccccc2)c1 486455056 ASBCRRFGXHQAEO-LLVKDONJSA-N 435.303 4.155 5 20 IIBD O=C(COc1ccccc1Br)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 486744603 MAQXGGYJZWTIPB-UHFFFAOYSA-N 433.180 4.071 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 487173686 ADXUWWBHAKJMAM-ZDUSSCGKSA-N 441.454 4.354 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C 488459738 OWELIZFZLVUCBQ-UHFFFAOYSA-N 428.558 4.409 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C 490132849 MFLCAESJPFSFOK-SUMWQHHRSA-N 444.431 4.073 5 20 IIBD COc1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)ccc1OCc1cscn1 490433829 NUYJYUYIVMUERS-UHFFFAOYSA-N 439.493 4.444 5 20 IIBD COc1cc(OC)c(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cc1Br 490915468 VVYOLPCTEGVFEW-UHFFFAOYSA-N 441.253 4.430 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cc4c(cc3F)NC(=O)CC4)cc2[N+](=O)[O-])C1 492579856 BTFAUSRZPHGWBB-KBPBESRZSA-N 440.475 4.353 5 20 IIBD CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 493877531 AJSXMMUOEGJQAH-KRWDZBQOSA-N 439.512 4.402 5 20 IIBD O=C(Nc1ccc(Oc2cccnc2)cc1)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 495031702 SGDZHACCPRJGAX-UHFFFAOYSA-N 434.437 4.304 5 20 IIBD Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])C2)cc1 497858850 RDUBCINFDDJUGG-HNNXBMFYSA-N 430.892 4.231 5 20 IIBD COc1ccc(Br)c(CC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)c1 498153295 NWXMWAIHNTYEBV-SFHVURJKSA-N 437.315 4.183 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(N[C@@H](c2ccccc2)c2nccs2)c([N+](=O)[O-])c1 505571230 WRYOSHSLUDQIRE-IBGZPJMESA-N 446.554 4.283 5 20 IIBD COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CC2 505747481 KNDBZLQVFMSILB-NRFANRHFSA-N 440.477 4.167 5 20 IIBD O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(CCCOCC(F)(F)F)CC2)s1 506943854 ISJCVROCDYBHCH-UHFFFAOYSA-N 443.491 4.410 5 20 IIBD COc1cc(CNCCC(=O)N2CCCCCC2)c([N+](=O)[O-])cc1OCc1ccccc1 507942966 WEYDKCAWJQVYTB-UHFFFAOYSA-N 441.528 4.065 5 20 IIBD O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N(Cc1ccccc1)Cc1ccc(F)cc1 508950594 NCSOUNCQZYVRDL-UHFFFAOYSA-N 431.427 4.157 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CN(C)Cc1c(F)cc([N+](=O)[O-])cc1F 509263018 JSULZDMSPMEZMI-UHFFFAOYSA-N 428.233 4.014 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)N1CCCC1 509365604 KMQITLMFAJUCQF-JOCHJYFZSA-N 440.544 4.361 5 20 IIBD O=C(Nc1cccc(COCc2ccco2)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 510416409 YVNDIIFLVYCXAL-UHFFFAOYSA-N 436.468 4.259 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 511508244 OCMDXMLUXOWMRS-UHFFFAOYSA-N 443.459 4.446 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)cc1SC 511742752 LYPVYGMJWNQESE-NRFANRHFSA-N 443.569 4.356 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)C1=CCN(C)CC1 512131205 DOIDBCDEUABLPN-OAHLLOKOSA-N 428.920 4.241 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCOc3cccc(F)c3C2)cc1[N+](=O)[O-])c1ccccn1 513919198 VQSLPONLPWWIMC-HNNXBMFYSA-N 436.443 4.337 5 20 IIBD Cc1ccc(C)c(OCc2nnc(SCC(=O)Nc3c(C)cccc3[N+](=O)[O-])o2)c1 514298556 YZHOWLAANIFXPH-UHFFFAOYSA-N 428.470 4.213 5 20 IIBD CCOCCCNC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c1 515003116 VULCDFSRRXXFTN-UHFFFAOYSA-N 439.390 4.022 5 20 IIBD O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 518572659 DFGCVFVZABWKKT-UHFFFAOYSA-N 444.238 4.125 5 20 IIBD Cc1nn(C(F)F)c(C)c1CC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 519958013 QXGPUXZJGMPLJR-UHFFFAOYSA-N 428.395 4.215 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 520003227 BNHNXSSJEUHWLT-QGZVFWFLSA-N 447.495 4.356 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1cccc(CCN2CCC(C)CC2)c1 520262825 UKFAEWPBSFLCMF-GOSISDBHSA-N 440.544 4.317 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 520392049 HJWFIMIMILVSMH-CYBMUJFWSA-N 431.876 4.327 5 20 IIBD C[C@@H](c1cccc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c1)N1CCOCC1 523950866 JMGUCUTVHLUBHS-HNNXBMFYSA-N 433.892 4.049 5 20 IIBD COc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2O)cc1OCc1ccc2ccccc2n1 524439729 GDYCTUGBDNRYAP-UHFFFAOYSA-N 446.419 4.084 5 20 IIBD COc1cc(OC)cc(N2CC[C@H](NCc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)c1 531359894 KMVFBVJJGLGODI-INIZCTEOSA-N 440.525 4.104 5 20 IIBD COc1ccc([C@H](NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)c2ccccc2OC)cc1 533565626 PBZQPCRRLMFRSN-DEOSSOPVSA-N 436.464 4.069 5 20 IIBD O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1c[nH]c2cccc([N+](=O)[O-])c12 534982766 FMOLTKCDWLIWHJ-OAHLLOKOSA-N 432.402 4.099 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCC[C@H]3Cn3cnc4ccccc43)cc2[N+](=O)[O-])CC1 535952302 ABCUJBZWVTXPRL-FQEVSTJZSA-N 447.539 4.486 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 536155534 PEQOOUVDRYHXHT-FQEVSTJZSA-N 449.454 4.302 5 20 IIBD O=C(CCn1c(C2CC2)nc2ccccc21)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 536724889 VKNZNRSJQGYSDB-UHFFFAOYSA-N 434.496 4.282 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 537271790 VKOHYZKVAVWOBM-XOBRGWDASA-N 435.883 4.209 5 20 IIBD O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N(c1ccccc1)c1ncccc1Br 538073993 RUJYPKWOAQJYKP-UHFFFAOYSA-N 442.225 4.460 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)c1 538552977 WUABCZPCAOABAI-LJQANCHMSA-N 448.401 4.439 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC(CN(C)Cc3ccccc3)CC2)c1 540612030 DFEYMSPDRYDRNE-UHFFFAOYSA-N 425.529 4.043 5 20 IIBD CC(C)n1c([C@H]2CCCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)nc2ccccc21 544071139 OOBNGKVEKFIUBP-OALUTQOASA-N 438.528 4.145 5 20 IIBD CC1(C)CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cccs2)CC(C)(C)O1 549578420 DTVGHXYRAYDGEG-UHFFFAOYSA-N 427.530 4.357 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCOC1 549669402 YAFILLTVXFVLCD-MRXNPFEDSA-N 432.484 4.008 5 20 IIBD Cc1c(NC(=O)CCN2CCC[C@H]2c2ccc(Br)cn2)cccc1[N+](=O)[O-] 551098274 XOCXLKCQRDBSTQ-SFHVURJKSA-N 433.306 4.226 5 20 IIBD Cn1ccc2ccc(NC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])cc2c1=O 552810346 XSRVWMSDDPFVDL-UHFFFAOYSA-N 429.432 4.278 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 555096875 HSHKSUMZZWZCOL-SFHVURJKSA-N 431.855 4.244 5 20 IIBD Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)ccc1-c1ccncc1 565732206 OUJGYQNOUGFGSU-SFHVURJKSA-N 436.493 4.270 5 20 IIBD C[C@@H](NC(=O)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1)c1cccc([N+](=O)[O-])c1 574311568 YXYMAPVZLNRYRS-FZKQIMNGSA-N 439.390 4.338 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)C2(Cc3cccs3)CCCCC2)CC1 575169191 UVFVHSROGAVJII-UHFFFAOYSA-N 441.553 4.134 5 20 IIBD O=C(NC[C@@]1(CO)C[C@H]1c1ccccc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 582817263 GXNSTFQYVQRTHU-WIOPSUGQSA-N 432.476 4.070 5 20 IIBD O=C(NCCNc1ccccc1[N+](=O)[O-])c1[nH]c2ccc(Br)cc2c1Cl 603784727 JRRVKWKRCBGXMP-UHFFFAOYSA-N 437.681 4.334 5 20 IIBD C[C@@H]1CCc2c(sc3nc(CCC(=O)N[C@H](C)c4cccc([N+](=O)[O-])c4)nc(O)c23)C1 604108542 IRYUKRIABZWCGN-CHWSQXEVSA-N 440.525 4.240 5 20 IIBD COc1ccc(CC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] 609010491 FDQIDZKLNJOJLG-QWRGUYRKSA-N 428.329 4.172 5 20 IIBD CCOC(=O)c1ccc(N(CC2CC2)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1 609100552 KBTOHCZJZNQMPR-UHFFFAOYSA-N 434.452 4.014 5 20 IIBD CN(Cc1ccccc1Br)C(=O)CCNc1ccc([N+](=O)[O-])c2cccnc12 609513003 DFLHPLYXJGMXPU-UHFFFAOYSA-N 443.301 4.366 5 20 IIBD CC(C)c1ccc(CCCNC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1 609726264 CXLCFQMUOICJPP-UHFFFAOYSA-N 425.485 4.155 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609761958 SEPINAOGXTUOHZ-OAHLLOKOSA-N 448.479 4.424 5 20 IIBD Cc1cc(Cl)cc2c1N(C(=O)c1ccc(Sc3nncn3C)c([N+](=O)[O-])c1)CCC2 609788523 CIIPVCUCJMTWEN-UHFFFAOYSA-N 443.916 4.429 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(NS(=O)(=O)c2ccccc2)c1 609792490 SRTZFANUZCPALY-UHFFFAOYSA-N 445.884 4.230 5 20 IIBD CCCN(CCO)C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 609816917 OBYSVBHTXZKXAG-UHFFFAOYSA-N 425.844 4.094 5 20 IIBD CCC(CC)N(CCOC)C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 609855099 CRIHJZJEDLIHFF-UHFFFAOYSA-N 429.304 4.365 5 20 IIBD CCOC(=O)c1ccnc(Nc2cccc(C[S@](=O)Cc3ccccc3)c2)c1[N+](=O)[O-] 609964008 RYJKHBGBMFOXIM-WJOKGBTCSA-N 439.493 4.359 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@H](C)Cc3c(C)noc3C)cc2[N+](=O)[O-])n1 609982348 PUWMTTNJISWBQN-SNVBAGLBSA-N 432.527 4.477 5 20 IIBD COc1cc(CCNC(=O)[C@@H](C)Cc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])cc1OC 609985832 OFVLLCRCEKVHLA-ZDUSSCGKSA-N 440.418 4.168 5 20 IIBD COc1cccc(Cc2nnc(NC(=O)NCCCCc3ccc([N+](=O)[O-])cc3)s2)c1 610095544 YLAITNLDNZVJMY-UHFFFAOYSA-N 441.513 4.190 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(Oc2cccc(Cl)c2Cl)nn1 610228191 ROEHHNCZDDINRK-UHFFFAOYSA-N 449.250 4.293 5 20 IIBD CN(Cc1ccccc1)C(=O)CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611201278 QVJPPPIRHCNCDJ-UHFFFAOYSA-N 427.526 4.018 5 20 IIBD CO[C@@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 611975835 FNUJXLFSSUBACT-MRXNPFEDSA-N 428.510 4.189 5 20 IIBD O=C(CCN[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] 619705882 RRHNTWRXUOMJHL-GDNZZTSVSA-N 427.345 4.423 5 20 IIBD O=C(CCCc1cccs1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727330134 ZSWHTEGLSQERKJ-UHFFFAOYSA-N 427.448 4.347 5 20 IIBD CC(C)CNC(=O)c1cccc(COC(=O)c2cc([N+](=O)[O-])ccc2Br)c1 727517776 VRNNQUDHMBREKJ-UHFFFAOYSA-N 435.274 4.100 5 20 IIBD CCOCCOc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 728185180 IPUGRQXWVYLMTK-UHFFFAOYSA-N 435.285 4.118 5 20 IIBD CC(C)c1cccc(O[C@@H](C)C(=O)OC[C@@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])c1 730704038 LMBUOMVFRLVVSK-HKUYNNGSSA-N 440.496 4.334 5 20 IIBD CC1=C(C(=O)OC(C)C)[C@H](c2cc([N+](=O)[O-])c(F)cc2F)NC(=O)N1Cc1ccccc1 731420062 FYZIPIANYRBPID-FQEVSTJZSA-N 445.422 4.365 5 20 IIBD O=C(OCc1ccc(OCc2ccncc2)cc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 733467924 CVUNYKFAESSLJQ-UHFFFAOYSA-N 430.420 4.112 5 20 IIBD O=C(OCc1nc(-c2ccc(Br)s2)no1)c1c(Cl)cccc1[N+](=O)[O-] 734032230 CBSRWUAPGHTRST-UHFFFAOYSA-N 444.650 4.479 5 20 IIBD C[C@H]([C@@H](OC(=O)CCC1CC1)c1ccccc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 734314086 MCMOPZJENDELIQ-OPAMFIHVSA-N 446.525 4.079 5 20 IIBD C[C@H](C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CCc2ccccc2C1 736067537 RLWLPWCEKACCSP-QGZVFWFLSA-N 445.475 4.199 5 20 IIBD CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 736876141 OCPWVBHNKRJKNA-LLVKDONJSA-N 430.800 4.381 5 20 IIBD CC[C@H](C)[C@@H]1CCCCN1C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 737588187 FSKSORIFFLEXJA-KKSFZXQISA-N 446.525 4.403 5 20 IIBD CCNC(=O)N1CCN(C(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)CC1 740740775 YFIZCBPWTBNPHC-UHFFFAOYSA-N 441.531 4.421 5 20 IIBD COc1ccc(CSCC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 741741030 RYEZFXZTZDKMFM-IBGZPJMESA-N 449.510 4.019 5 20 IIBD CC(=O)Nc1nc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2OCc2ccccc2)cs1 741888221 LCPDCXSOAICDDE-UHFFFAOYSA-N 446.872 4.494 5 20 IIBD COc1cccc(-n2c(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nc3ccccc32)c1 741991657 SDVVJWQANNVOAE-UHFFFAOYSA-N 433.380 4.103 5 20 IIBD O=C(Nc1ccc(OS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1)C1CC1 742280891 YSFUSFPDEHHLGV-UHFFFAOYSA-N 431.253 4.018 5 20 IIBD Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1NC(=O)OC(C)(C)C 742473805 NDUOWJKNIAEPFE-UHFFFAOYSA-N 440.500 4.213 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 743071267 MPFAFUPSOGUAAW-WFASDCNBSA-N 426.901 4.453 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cccc(OCC=C(C)C)c2)c([N+](=O)[O-])c1 745343276 UXFRQKUUIMAZFU-OAHLLOKOSA-N 428.441 4.132 5 20 IIBD O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 746073686 XXSRCKHVDPZFRO-MRXNPFEDSA-N 441.292 4.160 5 20 IIBD COc1ccc([C@H]2CCCCCN2C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 746416417 HHWQYPAULJRLMI-JOCHJYFZSA-N 439.512 4.198 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(Br)cc2)c(C(F)(F)F)c1 746605623 SRPAGWZPLXGSNS-UHFFFAOYSA-N 426.166 4.144 5 20 IIBD COc1ccc(NC(=O)COC(=O)/C=C(/C)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 748389852 IZDNNVWSVVINGR-XFXZXTDPSA-N 438.358 4.207 5 20 IIBD O=C(N[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1)c1cc(F)ccc1[N+](=O)[O-] 751369739 VQBWKLYUSVNIDT-MRXNPFEDSA-N 435.411 4.062 5 20 IIBD CC(C)[C@@H](OC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)N1CCc2ccccc2C1 754987126 ILRJGJCGEXMQHG-LJQANCHMSA-N 434.851 4.154 5 20 IIBD O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1cccc([N+](=O)[O-])c1Br 757914980 GYXDJVYZBFYSLW-UHFFFAOYSA-N 438.665 4.390 5 20 IIBD COC(=O)[C@H](Cc1ccc(Cl)cc1)OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 759508753 COTDCQBGBBSLBR-KRWDZBQOSA-N 446.868 4.313 5 20 IIBD O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NC[C@H](O)c1cccc(OCc2ccccc2)c1 760493911 URQWPZRMANGCPT-DEOSSOPVSA-N 447.491 4.212 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(-c3nc(-c4cccnc4-n4ccnc4)no3)cc2[N+](=O)[O-])C1 761708760 HFDSGAWFZFZFLK-HOTGVXAUSA-N 445.483 4.375 5 20 IIBD COCCOc1ccc(Cl)cc1-c1noc(-c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)n1 762258413 MBPDXUMIRCOEQB-UHFFFAOYSA-N 441.831 4.176 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCCCC[C@@H]1C[C@H](O)c1ccco1 762992027 YASKUCLIKNAJPW-NQIIRXRSSA-N 427.501 4.297 5 20 IIBD O=C(Nc1cccc(CC[C@H](O)c2ccccc2)c1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 762994261 NCSFVANJJTUTBQ-QHCPKHFHSA-N 443.463 4.094 5 20 IIBD Cc1nn(CCC(=O)N2CCCc3cc(N4CCCC[C@@H]4C)ccc32)c(C)c1[N+](=O)[O-] 763217029 DLFNVXSFLYEAAX-INIZCTEOSA-N 425.533 4.156 5 20 IIBD Cc1nn2cc(S(=O)(=O)Oc3ccc(-c4ccccc4)cc3[N+](=O)[O-])cnc2c1Cl 766784701 WCZLRBQUZVZMMM-UHFFFAOYSA-N 444.856 4.034 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CCCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 769121535 NRICIJUOCQZQAM-CYBMUJFWSA-N 428.327 4.094 5 20 IIBD O=[N+]([O-])c1ccc(CCS(=O)(=O)Oc2ccc([N+](=O)[O-])cc2-c2cccs2)cc1 769754089 VZCOYQKSMNUIDM-UHFFFAOYSA-N 434.451 4.183 5 20 IIBD C[C@H](OC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)ccc1F 770157984 VQFOUADHNDCAQS-QMMMGPOBSA-N 445.628 4.334 5 20 IIBD CC(C)OC(=O)NCc1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 770504711 RQQNIRCVWBUJLG-UHFFFAOYSA-N 442.291 4.306 5 20 IIBD CC(C)([C@@H](OC(=O)c1ccc(N2CCCC2)nc1)c1ccc(Br)cc1)[N+](=O)[O-] 774368484 ZYBWUMVTLQDDHE-SFHVURJKSA-N 448.317 4.398 5 20 IIBD Cc1ccc(-n2c(SC[C@H](O)c3ccc([N+](=O)[O-])cc3)nnc2-c2ccccn2)cc1 776275338 DJQPUAORJKRTHQ-FQEVSTJZSA-N 433.493 4.372 5 20 IIBD O=C(O[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccc([N+](=O)[O-])s1 776357600 UVBYPUPGQURUBY-ZDUSSCGKSA-N 428.388 4.023 5 20 IIBD O=C(NC[C@H](O)c1c(F)cccc1Cl)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 780917218 XARZTOGRVHRLMC-SFHVURJKSA-N 446.812 4.215 5 20 IIBD COc1ccc(OC)c(COC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 781257692 MVXGSHRDZNXTDC-UHFFFAOYSA-N 425.387 4.334 5 20 IIBD Cc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781258110 OJOJKRHYIIJCQL-ZDUSSCGKSA-N 436.414 4.452 5 20 IIBD O=C(COC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)Nc1ccccc1OC(F)F 781260892 SCCAIWXAYKHHOW-UHFFFAOYSA-N 438.386 4.078 5 20 IIBD CO[C@]1(C(F)(F)F)CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)C1 781788391 SYXKIOHAWWSCNR-LJQANCHMSA-N 429.439 4.015 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])c(F)c1)c1cccc(S(=O)(=O)Cc2ccccc2)c1 783564081 FVTZAEFFDICOLT-UHFFFAOYSA-N 429.425 4.065 5 20 IIBD CC(C)(CCC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC(=O)OC(C)(C)C 785386415 VNMPPXNNTBARHR-UHFFFAOYSA-N 433.427 4.313 5 20 IIBD C[C@@H](c1cc2ccccc2o1)N(C)C(=O)COC(=O)Cc1ccc([N+](=O)[O-])cc1Cl 785953420 JHHFEGIWDVHLRA-ZDUSSCGKSA-N 430.844 4.300 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1 785962128 LYUGDXIIQCHXHA-UHFFFAOYSA-N 440.500 4.382 5 20 IIBD CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 786357499 BHWQYODDGCRPKG-QEORTHHSSA-N 446.422 4.469 5 20 IIBD CCOC1CC(CC(=O)O[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 789154964 CAWANZXDMGRDMO-CWZMJNCASA-N 426.469 4.331 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OC[C@H](OC(C)C)c2ccccc2)ccc1[N+](=O)[O-] 795371602 PRYBXTKDKPCMNO-YADHBBJMSA-N 440.496 4.217 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Oc2ccc(C(F)(F)F)cc2F)cc1[N+](=O)[O-] 797002217 OBFYVBXBSJVHKK-UHFFFAOYSA-N 442.350 4.252 5 20 IIBD CCCc1noc2nc(CC)cc(C(=O)O[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)c12 800323842 AIPQIISOFWTJJN-CYBMUJFWSA-N 440.456 4.138 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 804178471 KURBFCKNCZBJGF-HSZRJFAPSA-N 447.491 4.263 5 20 IIBD COC1(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CCC(c2ccccc2)CC1 807445470 ZURXJPZWYSIYNO-UHFFFAOYSA-N 445.903 4.046 5 20 IIBD O=[N+]([O-])c1ccc(N2CCCCC2)c(-c2nc(-c3ccc(Cn4cncn4)c(F)c3)no2)c1 809372061 IDQRANHBLCHLIV-UHFFFAOYSA-N 449.446 4.081 5 20 IIBD CC[C@](C)(NC(=O)c1ccccc1)c1noc(-c2cc([N+](=O)[O-])ccc2N2CCCC2)n1 809513389 XKEMLBFZVBPIQQ-QHCPKHFHSA-N 435.484 4.300 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 812146937 JLMSHGFBNGONRV-HRAATJIYSA-N 437.500 4.096 5 20 IIBD C[C@H](CC(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(F)c(Br)c1 812611383 NTNZUGAMBDGTRQ-LLVKDONJSA-N 439.237 4.172 5 20 IIBD CCOc1ccc([C@H](O)C2CCN(C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 812877994 NBPKEMRZDODFSK-ZHRRBRCNSA-N 427.501 4.210 5 20 IIBD C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813087440 SHDWKGAJBZMGJY-WDEREUQCSA-N 432.304 4.277 5 20 IIBD COCc1ncc(COC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)s1 814002564 WAWJYGYOEMEADM-UHFFFAOYSA-N 437.524 4.471 5 20 IIBD CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c1C 815512077 HFNKBCQTFBNEBY-LLVKDONJSA-N 426.347 4.189 5 20 IIBD CC(C)n1c(S)nnc1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 815562216 ZPVJDOAVNKSMFH-LLVKDONJSA-N 443.451 4.095 5 20 IIBD CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 815746050 VVPUJLSVHSGRCT-UHFFFAOYSA-N 433.427 4.237 5 20 IIBD Cc1cc(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)c2cnn(Cc3cccs3)c2n1 890493373 GPUIRBIQIQFFQF-UHFFFAOYSA-N 429.408 4.288 5 20 IIBD O=c1oc2cc([N+](=O)[O-])ccc2n1CCCc1nc(-c2ccsc2C(F)(F)F)no1 904924986 NQMLFUWSNLCPBT-UHFFFAOYSA-N 440.359 4.266 5 20 IIBD O=C(c1cc(Cl)c2c(c1)OCCO2)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 915864862 FEPQVOFOEFRBEO-UHFFFAOYSA-N 430.766 4.224 5 20 IIBD COC(=O)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(OC(F)(F)F)cc1 916499424 UEYXKQOEJABOOY-HNNXBMFYSA-N 446.765 4.181 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)NCc1csc2ccccc12 917905070 CGGHWKIAAPNYNW-UHFFFAOYSA-N 427.301 4.051 5 20 IIBD C[C@H](OC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1cccc([N+](=O)[O-])c1 920157374 JDTNFHOPNNVQSS-AWEZNQCLSA-N 444.440 4.453 5 20 IIBD C[C@@H](OC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1)c1cccc([N+](=O)[O-])c1 920159909 UEOHLMPDHNSZQQ-KWPCUBQOSA-N 431.408 4.144 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCc1nnc(-c2ccc(Cl)cc2)o1 920779104 PKFHQJVUPMWCNT-SNVBAGLBSA-N 438.223 4.462 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[C@H](C)Cc1cccc(F)c1 921000579 CLKJNGUNHWISSV-OAHLLOKOSA-N 426.448 4.400 5 20 IIBD O=C(Nc1ccc(CN=c2c([N+](=O)[O-])c[nH]c3ccc(Br)cc23)cc1)C1CC1 1321593630 SWDINVHJHJTSSB-UHFFFAOYSA-N 441.285 4.288 5 20 IIBD Cc1cc(F)cc(-c2nnc(CN3CCN(Cc4ccccc4Cl)CC3)o2)c1[N+](=O)[O-] 1324227636 CDQUBUJTHGNMCH-UHFFFAOYSA-N 445.882 4.064 5 20 IIBD Cc1nc([C@@H](C)NC(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)no1 1325050485 RCZTVORSISLXGM-SNVBAGLBSA-N 449.826 4.431 5 20 IIBD COc1cc(C(=O)Nc2cccc(I)c2C)cc([N+](=O)[O-])c1C 1343560554 PDLVKNFVIZDBNA-UHFFFAOYSA-N 426.210 4.077 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccccc4[N+](=O)[O-])CCC3)cc2)no1 1787469181 LOQAHRDQECEUNH-KPKJPENVSA-N 446.463 4.352 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccccc4O)CCC3)cc2)ncc1[N+](=O)[O-] 1788765292 XTCBIAZVZPIOLF-UHFFFAOYSA-N 446.463 4.065 5 20 IIBD O=C(Cc1cc(F)ccc1[N+](=O)[O-])Nc1ccc(C2(NC(=O)c3ccncc3)CCC2)cc1 1792308433 OKPQOJOTAFAWLK-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD O=C(CCC1CCCC1)N1CCC2(CCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)CC1 1804751238 HCPZUTNAMXSGTC-UHFFFAOYSA-N 441.572 4.339 5 20 IIBD CC[C@H](C)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)[nH]n1 1815045214 LWSVAVFKDBPVQB-SCLBCKFNSA-N 431.468 4.199 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)CC2CCC2)n[nH]1 1823431974 UJMBQKYYHDGNET-SFHVURJKSA-N 443.479 4.262 5 20 IIBD O=C(CCC1CCCC1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823611591 KYBBHEQSEVAIEE-IBGZPJMESA-N 431.533 4.392 5 20 IIBD CC/C=C(\C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])c(O)cc2C)CC1 1830792853 ZJGYXOVHEDVYDW-FALBMNKOSA-N 443.544 4.198 5 20 IIBD CCCn1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nc2cc(Cl)ccc2c1=O 9398853 PFTADSFJJVTZDZ-LBPRGKRZSA-N 446.916 4.487 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccc3c(c2)OCO3)c2ccccc2)c([N+](=O)[O-])c1 10716784 QSBBSXNTKNLODH-NRFANRHFSA-N 434.404 4.169 5 20 IIBD CSc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 10733911 AXAVVRUJOHGNNM-CQSZACIVSA-N 429.498 4.101 5 20 IIBD O=C(NCC1(N2CCCCC2)CCCCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 15387741 KXYZYOKUUOIJSA-UHFFFAOYSA-N 428.577 4.116 5 20 IIBD COc1ccc(Nc2nnc(SCCC(=O)Nc3ccc([N+](=O)[O-])cc3)s2)cc1 26365878 LXFVAUHFCCZWNC-UHFFFAOYSA-N 431.499 4.319 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 36735927 BDKQXRNDENZIRH-UHFFFAOYSA-N 433.877 4.097 5 20 IIBD COc1ccc(Oc2cc(CNC(=O)CCOc3cc(C)ccc3[N+](=O)[O-])ccn2)cc1 58969488 YBQNAYKPMGIUPM-UHFFFAOYSA-N 437.452 4.184 5 20 IIBD Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)cc1[N+](=O)[O-] 61792300 UDBYPXSDXQIPEM-HXUWFJFHSA-N 442.475 4.271 5 20 IIBD CC(C)[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)n1nnc(-c2ccccc2)n1 64679857 SNAQZRZTZKLHMM-GOSISDBHSA-N 449.496 4.208 5 20 IIBD NC(=O)c1ccc(CN2CCCc3c(NC(=O)c4ccc(F)cc4)cccc32)c([N+](=O)[O-])c1 72002241 PXXQLQHYIAVWIR-UHFFFAOYSA-N 448.454 4.038 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)CC(=O)Nc2ccccc2)c([N+](=O)[O-])c1 106091075 RUJDKXURAIVSTO-QHCPKHFHSA-N 432.480 4.154 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3)cc1[N+](=O)[O-])c1ccccn1 115717510 WHYSQZRYHBWXPR-CABCVRRESA-N 445.479 4.149 5 20 IIBD COc1cc(CNC[C@@H]2CCCO[C@@H]2C(C)(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F 237244464 ZERLYPDWNYLODA-UGSOOPFHSA-N 434.455 4.475 5 20 IIBD O=[N+]([O-])c1ccc(NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(C(F)(F)F)c1 301284442 LYXYAXHZXHTDTD-UHFFFAOYSA-N 443.447 4.020 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)s1 301931884 MBVXPNARZQNHPX-UHFFFAOYSA-N 449.485 4.063 5 20 IIBD CC(C)(CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1cccc(Br)c1 301938155 RPIKXYKTZQEWEP-UHFFFAOYSA-N 433.349 4.212 5 20 IIBD CSCC[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nnc2ccccn12 302851049 RWHLCFRQUWDIFB-CQSZACIVSA-N 427.511 4.076 5 20 IIBD CCN(CC)CCN(CCC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])cc1Br 427440302 BNDIOOSNWUYRHG-UHFFFAOYSA-N 440.260 4.094 5 20 IIBD COc1ccc(S(=O)(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)c([N+](=O)[O-])c1 427783974 MMENMQLDLITQGO-UHFFFAOYSA-N 439.493 4.019 5 20 IIBD Cc1cc(-c2noc([C@H](C)NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)n2)ccc1F 431503707 BPTIHFQAFKBZRE-JTQLQIEISA-N 449.236 4.346 5 20 IIBD Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 436067121 FPXJGYXMHCYXML-UHFFFAOYSA-N 429.451 4.273 5 20 IIBD CC(C)[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1nc(-c2cccnc2)no1 436357755 JIPLNRMXIJIRTP-NRFANRHFSA-N 439.475 4.253 5 20 IIBD COc1ccc(Cc2nnc(Sc3cc(C(F)(F)F)ncc3[N+](=O)[O-])o2)cc1OC 436389951 VJGIFLSTVNPUKL-UHFFFAOYSA-N 442.375 4.151 5 20 IIBD Cc1ccc([C@H](OC[C@H](O)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)c2ccccc2)cc1 438820419 PPYMJPJKUWNQDK-DNQXCXABSA-N 444.491 4.329 5 20 IIBD COC(=O)[C@@H](Sc1ccc(Br)cc1[N+](=O)[O-])c1cc(OC)cc(OC)c1 438899158 JBNISNKZJYFNNF-INIZCTEOSA-N 442.287 4.381 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1noc(-c2cccc(Br)c2)n1 439026865 HOOBBEXUOWGUGM-UHFFFAOYSA-N 446.261 4.346 5 20 IIBD CCCN(C(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)c1cccc([N+](=O)[O-])c1 441450314 QVVUOCCMPATDSE-UHFFFAOYSA-N 445.541 4.135 5 20 IIBD COc1ccccc1-c1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 442177128 SWZYQRQCJDEUHC-INIZCTEOSA-N 433.464 4.395 5 20 IIBD O=C(Nc1ccc2nnc(C3CCC3)n2c1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444329479 KJCOHARWYWRIHK-UHFFFAOYSA-N 427.439 4.383 5 20 IIBD Cn1cnc([N+](=O)[O-])c1-c1noc(/C=C/c2cn(-c3ccccc3)nc2-c2cccs2)n1 445576271 IYCNMSNMKYKVJC-MDZDMXLPSA-N 445.464 4.463 5 20 IIBD O=C(NC1(c2cccc(OC(F)(F)F)c2)CCOCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 446494363 VTJGHVKNDMVBNR-UHFFFAOYSA-N 449.385 4.410 5 20 IIBD COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3O)C2)n1 446781985 BDJDPWUOPQLGMR-CQSZACIVSA-N 439.493 4.452 5 20 IIBD CCCN(C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)[C@H]1C[C@H](OCC)C12CCCC2 446905326 GUEULWZDXMWYLX-OALUTQOASA-N 429.521 4.131 5 20 IIBD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2ccc(Cn3cnc4ccccc43)cc2)n1 447527685 GSNWHVTZAPFNHQ-JTHBVZDNSA-N 430.512 4.463 5 20 IIBD Cc1nc(C)c([C@@H](C)N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@H]2CCOC2)s1 461641774 SEGMVHDNOFTHKS-GDBMZVCRSA-N 442.545 4.161 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cc2nnc3ccccn23)cc1 462504155 TXSMGFGOANWQOK-IBGZPJMESA-N 429.480 4.436 5 20 IIBD CC(C)(C)Oc1ccc(CNC(=O)COc2ccccc2[N+](=O)[O-])c(C(F)(F)F)c1 464562395 VUIVWGDZUVFRQH-UHFFFAOYSA-N 426.391 4.486 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 467224265 USCJINRCXYAERD-DLBZAZTESA-N 428.247 4.370 5 20 IIBD CCOc1ccc([C@H](C)N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1[N+](=O)[O-] 468823188 CPTLEMHCACUXRI-IFXJQAMLSA-N 433.455 4.114 5 20 IIBD COc1cc(C(=O)NCc2nc(C)c(-c3ccc(Cl)cc3)o2)cc([N+](=O)[O-])c1OC 473588293 OZDCLLNUDLLUOL-UHFFFAOYSA-N 431.832 4.159 5 20 IIBD CC(=O)N1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1 477318841 HVFZADCUMNYLKM-OAHLLOKOSA-N 447.944 4.388 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3C[C@H](C)O[C@@]4(CCOC4)C3)cc2[N+](=O)[O-])cc1 478420218 CKGILKYSIYEROK-AOMKIAJQSA-N 428.510 4.074 5 20 IIBD COC(=O)[C@@](C)(NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)c(Cl)c1 479264966 GQFHRDJPTJGLEA-OVWNDWIMSA-N 443.258 4.349 5 20 IIBD CCOC(=O)c1csc([C@H]2CCCN2C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 479703154 UPHDIABKPNIGMR-XJKSGUPXSA-N 432.502 4.144 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(CN2C[C@@H](C)O[C@H](C)C2)cs1 481988959 DTNRJTHTBVNKMD-CHWSQXEVSA-N 436.559 4.025 5 20 IIBD Cc1nc2ccc(NS(=O)(=O)c3ccc(Br)cc3[N+](=O)[O-])cc2s1 485261198 XHMHZXMCFPQPHJ-UHFFFAOYSA-N 428.289 4.076 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(C(=O)CC(F)(F)F)CC1 485921558 YBFUCLPRXIVAQN-UHFFFAOYSA-N 447.479 4.016 5 20 IIBD C[C@@H]1CN(Cc2ccccc2NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 486047837 VPAHHSFFUBSHNS-QZTJIDSGSA-N 426.517 4.035 5 20 IIBD Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 486188173 DRPNUDKCVUIOHB-DOMZBBRYSA-N 425.304 4.377 5 20 IIBD COc1ccc(Br)cc1[C@H]1CCCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 488952815 IGTNUNBJJOJZFY-CQSZACIVSA-N 449.257 4.072 5 20 IIBD CCOC(=O)c1sc2cccc(F)c2c1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 489042631 PDTUVRZUDPUFKS-UHFFFAOYSA-N 432.477 4.159 5 20 IIBD COc1c(F)cc(S(=O)(=O)N(C2CC2)[C@H](C)c2ccccc2Cl)cc1[N+](=O)[O-] 491319970 FROHKZNTFOEFFB-LLVKDONJSA-N 428.869 4.310 5 20 IIBD CCC[C@@]1(C(F)(F)F)CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 491515464 VFWLRBPRMYSRQJ-ZDUSSCGKSA-N 434.358 4.499 5 20 IIBD NC(=O)c1ccc(CN[C@H](CC2CC2)c2cc(F)cc(Br)c2)c([N+](=O)[O-])c1 495257532 WUOXRKUNOGKBJZ-QGZVFWFLSA-N 436.281 4.226 5 20 IIBD O=C(Nc1cc(C(F)F)ccc1Cl)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 497409740 SRUSUAUPWUCRCO-UHFFFAOYSA-N 438.818 4.176 5 20 IIBD Cc1[nH]c2ccccc2c1C1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 500680474 QKIDJPIZCUZDLL-UHFFFAOYSA-N 427.526 4.136 5 20 IIBD CCOc1ccc(C(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1[N+](=O)[O-] 502255374 ULVMRXQFEBZSKO-UHFFFAOYSA-N 434.374 4.128 5 20 IIBD Cc1sc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)nc1-c1c[nH]c2ncccc12 503909036 JMHGSKMLBDNEGT-UHFFFAOYSA-N 445.464 4.341 5 20 IIBD CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1cccc(NC(=O)[C@H]2CCCO2)c1 504912290 TZMWGVFFFBLEMW-FXAWDEMLSA-N 429.542 4.373 5 20 IIBD CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] 506085074 HPPAJNFPWDEHEF-UHFFFAOYSA-N 446.891 4.326 5 20 IIBD Cc1cc(OCC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)c(Cl)cc1[N+](=O)[O-] 506553527 BHZZQMAPQKMTJW-INIZCTEOSA-N 429.816 4.499 5 20 IIBD Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)N(C)C 510509989 FWDGQDDWKCLJOI-BXKMTCNYSA-N 449.555 4.186 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C(=O)Nc2ccccc2)C1 512876661 VASYGIHTEYKMLJ-KRWDZBQOSA-N 442.541 4.379 5 20 IIBD CC(C)N1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1=O 513305640 CZOWGUBWJPSIEK-QGZVFWFLSA-N 433.917 4.139 5 20 IIBD C[C@@H](NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccccc1Oc1ccccc1 513556079 BPBBHHNFCOXFEN-OAHLLOKOSA-N 440.477 4.282 5 20 IIBD COc1ccc(NS(=O)(=O)c2ccc3nc(-c4csc([N+](=O)[O-])c4)[nH]c3c2)cc1 513858092 UZXOSHLLTQXBAC-UHFFFAOYSA-N 430.467 4.009 5 20 IIBD O=C(CSc1nnc(-c2ccc3ccccc3c2)o1)N1CCc2cc([N+](=O)[O-])ccc21 514560777 ARUQCSOFNHNJLZ-UHFFFAOYSA-N 432.461 4.479 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2c2nc([C@H]3CCOc4ccccc43)no2)ccc1[N+](=O)[O-] 515092107 YECSHAQGCKEVHA-HKUYNNGSSA-N 434.452 4.178 5 20 IIBD COC(=O)c1nc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])sc1C(C)C 516115107 NZOXDAKLYUFOEW-UHFFFAOYSA-N 429.907 4.346 5 20 IIBD COc1ccc(CN2CCC[C@@H]3CN(C)CC[C@@H]32)cc1OCc1ccc([N+](=O)[O-])cc1 516686131 QPGPQEMOCARUQU-IRLDBZIGSA-N 425.529 4.099 5 20 IIBD O=C(NCCCC(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1)c1ccc(F)cc1F 518359401 JPKARVYSSXNLBV-UHFFFAOYSA-N 431.439 4.359 5 20 IIBD C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(OCc2cccnc2)cc1 518660413 MSWUZFGXSDFRKM-AWEZNQCLSA-N 447.900 4.262 5 20 IIBD CCOc1cccc([C@H](C)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])c1 521101369 IKDPTLGPEOSVHN-INIZCTEOSA-N 433.530 4.341 5 20 IIBD O=C(Nc1nc(-c2c(F)cccc2F)cs1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 521381371 MZARJYWEAZBYDD-UHFFFAOYSA-N 427.392 4.435 5 20 IIBD CCC(CC)NC(=O)[C@H]1CN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)c2ccccc2O1 523365207 BDRMGLKAXMTXHB-LJQANCHMSA-N 443.525 4.029 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cc(C)nn2-c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 524298092 PSPSMEYHOHFXMT-UHFFFAOYSA-N 440.403 4.217 5 20 IIBD COc1cc(C(=O)NC[C@H](C)N(C)C2CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 524350331 IECHHLYLAVCRHZ-ZDUSSCGKSA-N 433.892 4.262 5 20 IIBD COc1ccc(CNCc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])cc1Cl 532470328 AWGMZLMDXHGLGO-UHFFFAOYSA-N 434.798 4.496 5 20 IIBD O=C(NC1CC1)c1ccc(CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C2CC2)cc1 533007022 TTZSNQYLRNCMKI-UHFFFAOYSA-N 447.413 4.311 5 20 IIBD O=C(CSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Nc1ccc2c(c1)OCCCO2 534060144 XZQGKCJVCRULCF-UHFFFAOYSA-N 441.465 4.283 5 20 IIBD O=C(c1ccc(-n2cc(Br)cn2)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 534279167 JNIWXJKQSSFPHF-UHFFFAOYSA-N 441.285 4.348 5 20 IIBD CCN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCSc2ccc(Br)cc21 534868406 BFJBTBNSQBHGPD-MRXNPFEDSA-N 438.347 4.078 5 20 IIBD Cc1cccnc1[C@@H](NC(=O)c1cc(I)cc([N+](=O)[O-])c1)C(C)C 535022160 GEACAJXNAADCFW-HNNXBMFYSA-N 439.253 4.030 5 20 IIBD CCc1nn(C)cc1C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 536111764 DVSIKXKEEDPJEG-UHFFFAOYSA-N 432.839 4.406 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(OC(C)C)c(OC)c2)c([N+](=O)[O-])c1 538150742 KYCQBZBFSSPKRD-GJZGRUSLSA-N 431.489 4.077 5 20 IIBD Cc1c(C(=O)NCCNc2ncnc3ccc([N+](=O)[O-])cc23)oc2c(Cl)cccc12 538283429 VZEFAYDXUDVCDB-UHFFFAOYSA-N 425.832 4.088 5 20 IIBD C[C@@H](CC(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc12)c1ccccc1C(F)(F)F 538305196 BKLJLOFFHIROBF-ZDUSSCGKSA-N 447.417 4.279 5 20 IIBD C[C@@H]1CCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CCN1Cc1ccccc1 538386649 KWAWPAUSQYVVCI-LJQANCHMSA-N 430.508 4.393 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CCN(C)CC2)c1 539338502 RSQILRTZRNRSJN-UHFFFAOYSA-N 428.558 4.095 5 20 IIBD O=C(Nc1ccccc1OCCn1ccnc1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 540511386 QIVYJIXXNVEVES-UHFFFAOYSA-N 429.436 4.185 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC(c3cccc(Br)c3)CC2)s1 541206418 VBLIFQJSBXVIEU-UHFFFAOYSA-N 445.360 4.206 5 20 IIBD O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 541323158 GQAAIDBRLZIBPM-BZNIZROVSA-N 438.324 4.247 5 20 IIBD COc1ccc(C2(CNC(=O)Cc3ccc([N+](=O)[O-])cc3Br)CCC2)cc1 542298044 TXHOTEXOIWAEOV-UHFFFAOYSA-N 433.302 4.147 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 542422064 QKHQQPHTNHKPHS-INIZCTEOSA-N 448.479 4.416 5 20 IIBD O=C(Nc1ncc(C2CCCCC2)s1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 543892310 QATNQLJEFIOKJR-UHFFFAOYSA-N 443.529 4.089 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1ccc(F)c(Cl)c1F)c1ccccc1[N+](=O)[O-] 544817794 ZQUATMREUAUHOJ-AWEZNQCLSA-N 426.803 4.339 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(-c4ccc(CN5CCSCC5)cc4)n3)c2c1 545073439 ZFRLGSCJLUTUCV-UHFFFAOYSA-N 435.509 4.266 5 20 IIBD O=C1CCCN1c1cccc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)c1 545739587 YEODXTDNADGJBG-UHFFFAOYSA-N 443.257 4.125 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(N3CCOCC3)c(F)c2)no1 545740273 IQRRYSFCXOPKOK-ZDUSSCGKSA-N 430.461 4.474 5 20 IIBD COc1cc(-c2nc(CCN(C)C(C)=O)no2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 545742579 NUVWSHBOGFUWKY-UHFFFAOYSA-N 446.847 4.120 5 20 IIBD Cc1c(Cc2noc(-c3nnn(-c4ccc(OC(F)F)cc4)c3C)n2)cccc1[N+](=O)[O-] 545775678 MXKIGMNBYGCLPW-UHFFFAOYSA-N 442.382 4.035 5 20 IIBD COc1cc(C(=O)N2CC=C(c3cccc(Br)c3)CC2)cc([N+](=O)[O-])c1OC 547230603 VBJLHGHMGOXMGE-UHFFFAOYSA-N 447.285 4.304 5 20 IIBD COC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1C 547350976 NDHBSZASDGASSU-SNVBAGLBSA-N 427.240 4.403 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)Cc1ncc(-c2ccccc2)[nH]1 550272363 QODIPQJMEICYHG-UHFFFAOYSA-N 429.274 4.328 5 20 IIBD Cc1nc(NC(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)nn1C 553508216 IXWJSWOOFOPMAL-PTNGSMBKSA-N 434.481 4.211 5 20 IIBD Cc1cc([C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C2CC2)ccc1F 553622101 RTOHAVPALZTLIG-LJQANCHMSA-N 436.281 4.484 5 20 IIBD Cc1ccsc1-c1nnc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1Cc1ccccc1 558924488 FZGPMXPEGZHQFT-UHFFFAOYSA-N 449.540 4.310 5 20 IIBD Cc1sc(S(=O)(=O)N2CCCC[C@@H]2c2ncc(-c3ccccc3)[nH]2)cc1[N+](=O)[O-] 560059890 KSRYNQRIHIVZSG-MRXNPFEDSA-N 432.527 4.271 5 20 IIBD COc1ccc(NC(=O)CCN[C@@H](C)c2ccc(Oc3cccnc3)cc2)c([N+](=O)[O-])c1 561788346 XNSPBFKDDYYOPA-INIZCTEOSA-N 436.468 4.470 5 20 IIBD CCS(=O)(=O)c1ccc([C@H](C)NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1 567186857 IPULDFCZCORYKE-LBPRGKRZSA-N 442.946 4.011 5 20 IIBD Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Br 575207163 PBMJNWXCLPKWNR-UHFFFAOYSA-N 437.200 4.288 5 20 IIBD COc1cc(CN2CCC(c3ccncc3)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F 576984247 KOCZVFYGBQRCJF-UHFFFAOYSA-N 425.407 4.319 5 20 IIBD COc1cc(C(=O)N(C)[C@@H](C)Cc2ccccc2C(F)(F)F)cc([N+](=O)[O-])c1OC 577903078 VURBUXNOFAWXEI-LBPRGKRZSA-N 426.391 4.334 5 20 IIBD COc1ccccc1-n1ncc(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)c1C 578817729 XWADYSWYPCHFHN-UHFFFAOYSA-N 430.424 4.220 5 20 IIBD CC[C@H](CO)NC(=O)c1ccc(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1 578913361 WOHTVLICTRJMHO-MRXNPFEDSA-N 425.510 4.436 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1 581041350 NAPPRBKYYOXLNH-IRXDYDNUSA-N 446.454 4.182 5 20 IIBD C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C1 587989446 QUNOYYFMFLNKAM-YJBOKZPZSA-N 437.525 4.488 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N(CCO)CCc3ccccc3)n2Cc2cccs2)c1 589663065 DZKDOGGBALRTTR-UHFFFAOYSA-N 449.536 4.005 5 20 IIBD CC[C@H]1CN(C)CCCN1C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 590345111 POOKPFLMIKSXFV-SFHVURJKSA-N 430.936 4.417 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3C[C@]4(CCCO4)[C@@H]3C3CC3)cc2[N+](=O)[O-])n1 590531969 MDNOFCJUBROCEC-FXAWDEMLSA-N 431.539 4.295 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 603565256 KWWPOFVERBDWSP-UHFFFAOYSA-N 446.438 4.282 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(OCC(F)(F)F)cc2)cc1[N+](=O)[O-] 603567505 KEOYPJGXUKCMLL-UHFFFAOYSA-N 430.404 4.416 5 20 IIBD O=C(Nc1ccc(Cl)cc1C(=O)N1CCCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 603756912 GCURDZVFOONTCO-UHFFFAOYSA-N 428.876 4.311 5 20 IIBD CCCOc1cc(C)ccc1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 603979594 JVQRNGYRORWURB-UHFFFAOYSA-N 427.486 4.224 5 20 IIBD CC(=O)Nc1cccc2c1CCN(C(=O)c1ccc(Nc3ccccc3)c([N+](=O)[O-])c1)C2 604191324 FJCGKVALXWACHL-UHFFFAOYSA-N 430.464 4.495 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(CN2C[C@@H](C)O[C@H](C)C2)cs1 604455235 PPRYYSNOQFOVEN-HZPDHXFCSA-N 447.561 4.103 5 20 IIBD CCn1c(CCNC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)nc2ccccc21 604482747 GCRUXMGDFKTEAZ-ROUUACIJSA-N 449.555 4.419 5 20 IIBD CCN([C@@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] 604493733 GAKWBKAKAMOXLM-LBPRGKRZSA-N 432.420 4.394 5 20 IIBD CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 608807311 ANIRNRBDEANKMW-UHFFFAOYSA-N 425.489 4.053 5 20 IIBD O=C(NCCCc1nc2c(s1)CCCC2)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 608903056 XWCPBICMYOHEPT-UHFFFAOYSA-N 428.539 4.416 5 20 IIBD CCCN1Cc2cccc(NC(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)c2C1 608949334 ALXFNUYHBZMKAY-UHFFFAOYSA-N 433.512 4.434 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N2CC(Oc3ccccc3)C2)cc1[N+](=O)[O-] 609146945 AWMWVLMMGYDXKI-UHFFFAOYSA-N 448.500 4.451 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)c1C 609322959 OHOFVZTUEPZOIA-MRXNPFEDSA-N 429.498 4.307 5 20 IIBD O=c1c2cnn(-c3ccccc3[N+](=O)[O-])c2ncn1CCCOc1cccc2ccccc12 609962604 SMAUZWGTICVIDM-UHFFFAOYSA-N 441.447 4.113 5 20 IIBD COc1cc(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc([N+](=O)[O-])c1OC 610170178 FLHXCFQBDUDBPK-UHFFFAOYSA-N 428.470 4.074 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1ccc(CC(F)(F)F)cc1 610194263 VVBHGKHHIWKRPX-UHFFFAOYSA-N 439.209 4.263 5 20 IIBD O=C(c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2)N1CC[C@H](CO)C1 611157257 LBGBTNNGEFMQFU-OGBKAESYSA-N 443.503 4.474 5 20 IIBD CC(C)N[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C1 611202613 IDLYMCAFCGOVLE-KRWDZBQOSA-N 430.936 4.463 5 20 IIBD O=C(CCc1ccc(Br)cc1F)NCCc1ccc(Cl)cc1[N+](=O)[O-] 611495674 JMSHLPGPXAQEQM-UHFFFAOYSA-N 429.673 4.441 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(c2ncnc3ccc([N+](=O)[O-])cc23)CC1 611711703 NYGPMANJGSNGJK-UHFFFAOYSA-N 425.514 4.121 5 20 IIBD O=C1Cc2ccc(CC(=O)Nc3cc([N+](=O)[O-])ccc3Sc3cccs3)cc2N1 612051437 UEOHNPXKVOKPMG-UHFFFAOYSA-N 425.491 4.483 5 20 IIBD O=C(COC(=O)c1ccc(OCc2ccccc2)nc1)Nc1ccc(Cl)cc1[N+](=O)[O-] 725981827 OICXOSYJQVKGJY-UHFFFAOYSA-N 441.827 4.018 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CCc1cccc(OC2CCCC2)c1 727891140 UYUCWHWQEPXDBX-UHFFFAOYSA-N 426.469 4.339 5 20 IIBD O=C(CCc1ccncc1)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 729305585 RKQBTDJWHMDEJV-UHFFFAOYSA-N 425.828 4.434 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)O[C@@H](C)C(=O)Nc2cc(F)ccc2F)CC1 729471025 MHKKAKIXKPBFKK-AWEZNQCLSA-N 447.438 4.293 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(CCc1ccccc1)c1ccccc1 731618518 QVUBRCNZXMKVCQ-UHFFFAOYSA-N 434.448 4.071 5 20 IIBD O=C(Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-])c1nn(-c2ccc(F)cc2)ccc1=O 731769510 WGYRBKRODAFENO-UHFFFAOYSA-N 431.379 4.166 5 20 IIBD COC(=O)[C@@H](OC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])c1cccc(Cl)c1 733823481 BBHYQUGHEYPLGH-INIZCTEOSA-N 425.846 4.050 5 20 IIBD Cc1c(C(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 734406173 QZWCNKMKMVFZDZ-HKBQPEDESA-N 439.449 4.372 5 20 IIBD CN(C(=O)COC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCc2ccccc21 735001163 SRWQIEYHDBNLBQ-GOSISDBHSA-N 446.887 4.096 5 20 IIBD Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)OCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c1 735344724 NAMZIFKAVPQEHH-INIZCTEOSA-N 442.468 4.335 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1cccnc1S[C@H](C)C(=O)N1CCCC1 735644999 XRZUERQYCSSJKA-CYBMUJFWSA-N 449.916 4.274 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)c1 735802725 HCKUFXZZTNSFFH-UHFFFAOYSA-N 439.921 4.148 5 20 IIBD C[C@H](OC(=O)CNc1cccc(C(F)(F)F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 735933117 JDVFHZNOYKVYIX-JTQLQIEISA-N 445.781 4.249 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@@H]3COc4ccc(Cl)cc4C3)CC2)ccc1[N+](=O)[O-] 739385382 ORFHHJRVRRTFKJ-HNNXBMFYSA-N 446.887 4.020 5 20 IIBD O=C(CCc1nc(-c2cccs2)no1)OCc1ccc([N+](=O)[O-])cc1Br 739580423 UXSLUPNRQQIWSW-UHFFFAOYSA-N 438.259 4.145 5 20 IIBD CC(C)(C)OC(=O)NC1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 740866423 POPPAOGLRFMERQ-UHFFFAOYSA-N 434.371 4.015 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cccc(N[C@@H](C)C(C)C)c1C 741748770 OLIBVMMRZUTHCJ-HNNXBMFYSA-N 429.473 4.164 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1Cl 742284529 RGHPGGUREQHXRP-UHFFFAOYSA-N 427.605 4.231 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)cc1 742892211 LNCOIOBSEASYTK-CYBMUJFWSA-N 433.436 4.337 5 20 IIBD CCc1cccc2c(C(=O)[C@H](OC(=O)Cn3cc([N+](=O)[O-])nc3C)c3ccccc3)c[nH]c12 744652517 AOPQYLLCJPVESV-XMMPIXPASA-N 446.463 4.311 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)O[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)c1 744723217 VRQDCQOUZKVZMU-CYBMUJFWSA-N 440.374 4.261 5 20 IIBD CC(C)[C@H](CNC(=O)COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 745565157 KQDJUKFKMSWKBE-KRWDZBQOSA-N 438.402 4.326 5 20 IIBD CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1C 747955597 BAQZXRQYVWAEII-ZDUSSCGKSA-N 441.465 4.294 5 20 IIBD CSc1ccc(C(=O)Oc2cc(C(=O)N3CCSCC3)ccc2C)cc1[N+](=O)[O-] 749539584 RSQLBWLPMQTONQ-UHFFFAOYSA-N 432.523 4.033 5 20 IIBD Cc1c(C(=O)N2CCc3c(Br)cccc3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 749628155 WBKCVBGUIDVFDZ-UHFFFAOYSA-N 434.246 4.081 5 20 IIBD Cc1ccc(NC(=O)CN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c(Cl)c1 750614312 BNLIAJFIEQIWKA-UHFFFAOYSA-N 438.709 4.316 5 20 IIBD COc1cc(N)c([N+](=O)[O-])cc1C(=O)O[C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 753455155 AGSFCAGPRGERFD-JOCHJYFZSA-N 449.463 4.339 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 755024304 LRDHPQNFTAGNKJ-MRXNPFEDSA-N 442.216 4.241 5 20 IIBD COc1cccc([C@H](O)CNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)c1 755502776 XMJXGSMTHOELDM-HXUWFJFHSA-N 430.526 4.349 5 20 IIBD Cc1cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc([N+](=O)[O-])c1F 757925461 ICEQCOCZLCFTCN-UHFFFAOYSA-N 444.366 4.048 5 20 IIBD C[C@H](NC(=O)Nc1cnc(Br)c(Br)c1)c1cccc([N+](=O)[O-])c1 758273894 QJQXSABQUILWGR-QMMMGPOBSA-N 444.083 4.398 5 20 IIBD COc1ccc(C(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1Cl 758439329 ZNWVFKFBYLNNKI-NSHDSACASA-N 436.804 4.210 5 20 IIBD Cc1cc(-c2noc([C@@H](C)NC(=O)NCc3cc([N+](=O)[O-])ccc3Cl)n2)ccc1F 760801940 VADGUQUKDSQNCL-LLVKDONJSA-N 433.827 4.306 5 20 IIBD CCc1noc(-c2ccc(C)c(NS(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3C)c2)n1 761900374 IOJSTSWZIZVMHW-UHFFFAOYSA-N 436.877 4.278 5 20 IIBD C[C@@H](C(=O)OCc1nc(-c2ccc(Br)s2)no1)c1cccc([N+](=O)[O-])c1 763403039 OFJOWOKRFBVAJY-SECBINFHSA-N 438.259 4.316 5 20 IIBD C[C@@H](c1ccccn1)N(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1ccc(N(C)C)cc1 766609037 YBAKJIFPBYDTKD-KRWDZBQOSA-N 444.495 4.200 5 20 IIBD C[C@H](OC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1Cl 770158240 YMNFMMJIEQPPCS-QMMMGPOBSA-N 445.628 4.334 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCO[C@@H](c2ccc(F)cc2F)C1 779282529 FZENLOYACQYOSB-OAQYLSRUSA-N 431.439 4.077 5 20 IIBD O=C(O[C@H]1CCCN(c2cccc(F)c2)C1=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 781258767 DBOFCCRQGAKMPF-QFIPXVFZSA-N 430.435 4.173 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H](COC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 781475467 ZYDIVXGNTNSKJS-INIZCTEOSA-N 436.508 4.485 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ncc(Cc2ccc(F)c(F)c2)s1 781599327 UQTMMUFSQZEZPF-UHFFFAOYSA-N 448.407 4.400 5 20 IIBD O=C(Nc1cccc(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c1)C1CCCCC1 781712725 BSPQALVCKLZTNT-NRFANRHFSA-N 436.468 4.245 5 20 IIBD O=C(Nc1cccc(CC[C@H](O)c2ccccc2)c1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 782005504 AYUAKPFKBBECJN-BJKOFHAPSA-N 445.475 4.393 5 20 IIBD Cc1ncc(COC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c(C)n1 784296338 XLCKEHWYTFSUAE-UHFFFAOYSA-N 443.463 4.140 5 20 IIBD COc1ccc(NC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)c(OCc2ccccc2)c1 784682168 XAVPRPXPBPIAON-UHFFFAOYSA-N 436.449 4.439 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 785380152 CLMNSEKHTWNWPS-UHFFFAOYSA-N 438.362 4.052 5 20 IIBD COc1cc(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)ccc1OC(C)C 786924130 RKNKICIYKGSBKH-UHFFFAOYSA-N 441.406 4.409 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC1CCC(O)(c2ccccc2)CC1 787313585 DIHAHIOIFHVZRD-UHFFFAOYSA-N 437.418 4.243 5 20 IIBD O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 787665127 PCHRHEYTIINILU-UHFFFAOYSA-N 442.475 4.262 5 20 IIBD C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790953255 YPJMMHFQUHHCQF-GJZGRUSLSA-N 433.911 4.203 5 20 IIBD CCC(CC)n1nc(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cc1C 791248941 MZKBHXBYAIZEGM-UHFFFAOYSA-N 435.322 4.422 5 20 IIBD CC1CCN(c2nn(CN(C)CCc3ccccc3[N+](=O)[O-])c(=S)n2C2CC2)CC1 795645228 RQXKTQQBUKFFCL-UHFFFAOYSA-N 430.578 4.025 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)N(C)[C@H](C)c1cc2ccccc2o1 795710512 VPNPDKRPLPBVCD-CQSZACIVSA-N 426.425 4.116 5 20 IIBD CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)Nc1c(F)ccc([N+](=O)[O-])c1C 800599079 JTUMPSIQPLCARS-UHFFFAOYSA-N 428.247 4.336 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H](CCc1ccccc1)c1ccccc1 800599602 UDICFCQENPRKMY-HXUWFJFHSA-N 435.455 4.471 5 20 IIBD CN(Cc1cccc(Br)c1OC[C@H]1CCCO1)c1cc(N)ccc1[N+](=O)[O-] 800869405 OCRSVXQJBBUUEH-OAHLLOKOSA-N 436.306 4.134 5 20 IIBD COc1ccc(CN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)[C@@H](C)C2CC2)c(OC)c1 801062844 VKMUWERWSNDXEL-AWEZNQCLSA-N 443.456 4.270 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)C(=O)C1(c2ccccc2)CC1 808524833 IVXYBUFNQZGFMR-LLVKDONJSA-N 436.233 4.343 5 20 IIBD CN1CCC(N(C)[C@H]2CCCC[C@@H]2N(C)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 809917504 MIZQWGIRUXIHMC-ROUUACIJSA-N 437.972 4.049 5 20 IIBD COC(=O)C[C@](C)(NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1cccc(OC)c1 809985577 NRZKNDYCSARJGR-IBGZPJMESA-N 427.284 4.478 5 20 IIBD CC(C)c1nc(C(=O)OCc2cc(I)cc([N+](=O)[O-])c2)cs1 811038608 NQHOGLUMLGVRKS-UHFFFAOYSA-N 432.239 4.136 5 20 IIBD C[C@@H](OC(=O)c1c(N)cc(Cl)cc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 811322661 QZJRVEIHWHJWAV-SSDOTTSWSA-N 432.647 4.321 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCC[C@@](CO)(Cc2ccccc2)C1 812715523 KHDMPCAZMNENEK-RUZDIDTESA-N 437.540 4.043 5 20 IIBD Cc1ccc(-c2csc(NC(=O)c3ccc4c(c3)SCC(=O)N4)n2)cc1[N+](=O)[O-] 813395412 LVEXZDABBVTAMM-UHFFFAOYSA-N 426.479 4.323 5 20 IIBD C[C@@H](OC(=O)c1cccc(F)c1Br)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 814505857 AJIKBYZKSUAOML-SECBINFHSA-N 436.193 4.464 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 815510828 LYCCWTCESQBDRG-UHFFFAOYSA-N 446.765 4.380 5 20 IIBD CNC(=O)Oc1cccc(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c1 817023368 SWRPZPBYJPBALU-UHFFFAOYSA-N 444.494 4.481 5 20 IIBD Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCC3(CCN(Cc4ccccc4)CC3)C2)c1F 854578019 BHXNHOQTEMQFKT-UHFFFAOYSA-N 429.467 4.310 5 20 IIBD CCOc1cc(-c2nc(-c3ccc(N4CCCCC4)nc3)no2)c([N+](=O)[O-])cc1OC 904430091 INQCBXFUUPGQIF-UHFFFAOYSA-N 425.445 4.104 5 20 IIBD O=C(/C=C\c1ccccc1OC(F)(F)F)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 914810051 QEFIEQWCMSDHHB-HJWRWDBZSA-N 435.314 4.300 5 20 IIBD C[C@H](OC(=O)c1cccc(NC(=O)C2CCCCC2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 915436006 ZSQDONPBIHLJCF-HNNXBMFYSA-N 439.468 4.298 5 20 IIBD COc1ccccc1OCC(=O)Nc1cccc(Nc2nc3ccccn3c2[N+](=O)[O-])c1 917090359 KTEWACUKBKRYOV-UHFFFAOYSA-N 433.424 4.012 5 20 IIBD Cc1c(O)ccc2c(CSc3nc4cc5ccccc5cc4c(=O)n3C)cc(=O)oc12 918055709 FCQQIOPUNAOYPX-UHFFFAOYSA-N 430.485 4.499 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])s1)N[C@@H](c1ccccc1)c1cccc(Cl)c1 918826077 KJYSWKMXIBAOEJ-IBGZPJMESA-N 430.869 4.372 5 20 IIBD C[C@@H](OC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)C12CC3CC(CC(C3)C1)C2 920550461 KLMMEBFBDOPSOU-ZJRYTYELSA-N 437.496 4.326 5 20 IIBD O=C1/C(=C\c2cc([N+](=O)[O-])ccc2OC(F)F)NC(=S)N1Cc1ccccc1Cl 920836335 DZLGUIGDEILPEC-RIYZIHGNSA-N 439.827 4.107 5 20 IIBD Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 1252810629 KNJBKAGNPMLXJZ-UHFFFAOYSA-N 428.851 4.139 5 20 IIBD COC(=O)c1cc(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)n(-c2ccccc2)n1 1339272962 PWKVSFBVQILXAF-UHFFFAOYSA-N 434.452 4.157 5 20 IIBD COc1cc(CCNC(=O)N[C@@H](C)c2ccc(Cl)c(F)c2)c([N+](=O)[O-])cc1OC 1341440996 PQUNRIGGBAUIQS-NSHDSACASA-N 425.844 4.007 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cc(Br)c(Br)[nH]1 1346849286 BZSJQTFFVATQRB-UHFFFAOYSA-N 437.475 4.031 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])c4c3OCO4)CCC2)cc1)C1=CCCC1 1787621472 FRYCBMYJRVVCSB-UHFFFAOYSA-N 449.463 4.182 5 20 IIBD Cc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Cl)s2)cc1[N+](=O)[O-] 1795041661 GVJZCOSZJPTTHZ-MUJYYYPQSA-N 447.944 4.113 5 20 IIBD Cc1cc(C)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2ccc(C)c([N+](=O)[O-])c2)c1 1800137872 FFQCOHBPCRUYRQ-KOUNCHBCSA-N 435.524 4.015 5 20 IIBD COc1cc(C(=O)N2CCCC23CN(C(=O)CC2CCC(C)(C)CC2)C3)ccc1[N+](=O)[O-] 1846871988 KJTGCYAWPOKOGZ-UHFFFAOYSA-N 443.544 4.027 5 20 IIBD CC1CCN(c2ccc(C(=O)NCc3ccccc3Cn3cccn3)cc2[N+](=O)[O-])CC1 10235055 TYQKXHISDJGVRT-UHFFFAOYSA-N 433.512 4.006 5 20 IIBD Cc1ccc(C2=NN(C(=O)COC(=O)c3cccc([N+](=O)[O-])c3)[C@H](c3ccco3)C2)cc1 11026086 ZFUZFDCMGVTDOR-FQEVSTJZSA-N 433.420 4.031 5 20 IIBD O=C(COC(=O)Cn1c2ccccc2c(=O)c2ccccc21)Nc1cccc2ccccc12 11275859 JVAYGNGUJUYEDB-UHFFFAOYSA-N 436.467 4.490 5 20 IIBD COc1ccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1Cc1ccccc1 16274772 KVFUERAVEGNWAO-UHFFFAOYSA-N 429.436 4.027 5 20 IIBD CC(=O)Nc1cc2ccccc2cc1C(=O)O[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 16413568 IHWLJPKOBMJUKF-LBPRGKRZSA-N 439.399 4.030 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 16868151 RCCYTCWTYNURCD-NEPJUHHUSA-N 438.889 4.308 5 20 IIBD C[C@H]1CCN(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c2ccccc2S1 17525345 QRSXWRXNJQWKFF-ZDUSSCGKSA-N 441.538 4.406 5 20 IIBD Cc1ccc(NC(=O)Cc2nc(COC(=O)c3ccc(C)c([N+](=O)[O-])c3)cs2)cc1 22155391 RRBZQYOPDDOOPW-UHFFFAOYSA-N 425.466 4.206 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N[C@@H]1CCSc2ccccc21 22805151 ILXKOIDBESMVDI-QGZVFWFLSA-N 433.555 4.418 5 20 IIBD COc1ccccc1NC(=O)c1ccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])cc1 39540164 GAJOCRLWKONZDG-UHFFFAOYSA-N 434.452 4.296 5 20 IIBD CCc1ccc([C@H](CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])N(C)C)cc1 61396526 TWNDVEFDNDJRMU-IBGZPJMESA-N 439.434 4.131 5 20 IIBD Cc1ccc(NC(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)cc1[N+](=O)[O-] 61733374 WJPIDXYLKSNOEF-UHFFFAOYSA-N 428.452 4.473 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@@H](c3ccccc3)[C@H](C)C(=O)O)cc2[N+](=O)[O-])CC1 236671547 INHPAMDRNMJJIA-HRAATJIYSA-N 425.485 4.023 5 20 IIBD COc1cc(CNC2(c3noc(C)n3)CCCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 237349087 SZQSAAMOWXABJG-UHFFFAOYSA-N 438.484 4.433 5 20 IIBD C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 302398759 JLUTZFLBHSOJGI-CYBMUJFWSA-N 443.447 4.351 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 303635120 GMQXQDIAVWGWLD-KBPBESRZSA-N 437.468 4.072 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N[C@@H](Cn2ccccc2=O)c2ccccc2)c1Br 409525816 SKYRUUFHZPZZAR-HNNXBMFYSA-N 429.274 4.076 5 20 IIBD COc1cc(CN[C@@H]2CCCC[C@@]2(C)C(=O)O)ccc1OCc1ccc([N+](=O)[O-])cc1 426750699 PQDFKHIUIPRJCN-FYYLOGMGSA-N 428.485 4.306 5 20 IIBD CC(C)CN1CCC[C@H](CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 427048726 IIMWAKADGJDVMP-HXUWFJFHSA-N 425.529 4.272 5 20 IIBD O=C(C[C@@H]1CCCCCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 432298017 UZYJVHGFAPSZMW-NRFANRHFSA-N 432.480 4.438 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(c3ncc4n3CCCC4)CC2)nc1OCc1ccccc1 432937433 LBBFHCGFFGUROR-UHFFFAOYSA-N 433.512 4.486 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2c2nc(-c3ccc(O)cc3Cl)no2)ccc1[N+](=O)[O-] 436872219 LRVUNKRUIAPMJJ-KRWDZBQOSA-N 428.832 4.290 5 20 IIBD CCC(=O)Nc1ccc(C)c(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 437800250 NGZGMOYWMGEMTQ-UHFFFAOYSA-N 426.473 4.327 5 20 IIBD O=C([C@@H]1C[C@]12CCc1ccccc12)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 438869733 IBVLTJIDTHHGQX-AVRDEDQJSA-N 445.441 4.166 5 20 IIBD CC[C@H](C)[C@](C)(O)CNC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 439500021 AOEVFJVZCHLVRW-RCDICMHDSA-N 430.526 4.075 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 443417587 PZNSELIBPIPBAL-UHFFFAOYSA-N 428.747 4.129 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C 444921489 BYQGNPHDSPSEHW-MRXNPFEDSA-N 426.395 4.047 5 20 IIBD COc1ccc(-c2ccc(CNC(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)s2)cc1 445108306 JLKRYPFCZQHSAA-UHFFFAOYSA-N 437.481 4.208 5 20 IIBD O=C(NCCCOc1ccc(C(F)(F)F)cn1)c1cccc2c(=O)c3ccccc3[nH]c12 445265558 VDLIMDAMLZJHMV-UHFFFAOYSA-N 441.409 4.294 5 20 IIBD O=C1c2cccc3cccc(c23)C(=O)N1CCCc1nc(-c2ccc([N+](=O)[O-])s2)no1 445475100 XHAPVUDLYJUBTK-UHFFFAOYSA-N 434.433 4.088 5 20 IIBD COc1ccc(-c2[nH]c3ccccc3c2CCc2nc(-c3c([N+](=O)[O-])ncn3C)no2)cc1 445584957 ULSKBNMFZAHMMM-UHFFFAOYSA-N 444.451 4.320 5 20 IIBD C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccc(NC(=O)C2CC2)cc1 445683592 PAJLBULONSGQAZ-GFCCVEGCSA-N 446.301 4.126 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[C@@H]4[C@H](CCCN4C4CC4)C3)cc2[N+](=O)[O-])C1 448200847 YYJQPPNXFNWFIY-BAYUQKDNSA-N 440.588 4.166 5 20 IIBD O=C(Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 448434483 QAYCLYAQCKDJRT-UHFFFAOYSA-N 443.341 4.305 5 20 IIBD Cc1ccnc(Oc2cc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)ccc2C)c1 460492787 QYXIJDPUHFBEOS-UHFFFAOYSA-N 434.452 4.158 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(-c3nc(CCn4nnc5ccccc54)no3)cc2[N+](=O)[O-])C1 460744393 UWDJSJLNNRWPIU-IYBDPMFKSA-N 447.499 4.115 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](C)c1sc(-c2ccccc2)nc1C 464022268 BIYINFLBPRROHU-CQSZACIVSA-N 438.509 4.459 5 20 IIBD CSc1ccc(C(=O)NC[C@@H](C)Oc2ccc(Br)cc2)cc1[N+](=O)[O-] 464632137 WHMGGWWTONLFAR-LLVKDONJSA-N 425.304 4.277 5 20 IIBD Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)C2)c1 466301151 ZDKXGURQPUSQMP-QGZVFWFLSA-N 429.904 4.034 5 20 IIBD C[C@@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(-n2cccn2)cc1 466959946 PLOGWCIMUZTLPA-QGZVFWFLSA-N 435.484 4.095 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3nnc(C(C)(C)C)s3)cc2[N+](=O)[O-])C1 467319985 RBFFIEJKBLCHKE-ZIAGYGMSSA-N 431.562 4.156 5 20 IIBD COc1cc(C(=O)N2CCc3c(F)cc(F)cc3[C@H]2C)c([N+](=O)[O-])cc1OC(F)F 468624797 FNMPQWPFYSWKJK-SECBINFHSA-N 428.338 4.243 5 20 IIBD C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 469021315 RFPRGVQSWJNZDD-GFCCVEGCSA-N 449.385 4.100 5 20 IIBD COCCN(C(=O)[C@H](C)OCc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 469921401 WNKASXDVWYBXHC-INIZCTEOSA-N 441.509 4.303 5 20 IIBD Cc1noc(C)c1CSc1ccccc1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 470311034 XCIZPLGSMSLFQH-UHFFFAOYSA-N 439.493 4.395 5 20 IIBD Cn1cc(C(=O)NCCCOc2ccc3ccccc3c2)c(-c2ccc([N+](=O)[O-])cc2)n1 475540730 LEWBMFBFLLGGLR-UHFFFAOYSA-N 430.464 4.347 5 20 IIBD COc1cc(CCNC(=O)Nc2ccc(SC)c(Cl)c2)c([N+](=O)[O-])cc1OC 475958238 SISHDUHAQZRPJL-UHFFFAOYSA-N 425.894 4.352 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N(CCO)Cc1ccc(Br)s1 479184725 GQZHNGWOKFHPQS-UHFFFAOYSA-N 434.699 4.099 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3nc(-c4ccc(C)o4)n[nH]3)cc2[N+](=O)[O-])n1 479472033 BTWKAIZRIUGFDB-UHFFFAOYSA-N 442.482 4.450 5 20 IIBD CCn1c(S[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)nnc1-c1ccc([N+](=O)[O-])cc1 481357643 HZJCOINSWCJQOA-OIPACUDHSA-N 431.562 4.295 5 20 IIBD COc1cc(C(=O)N2CCOc3ncccc32)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 482787222 AIWCKBCLYKUNMG-UHFFFAOYSA-N 441.827 4.483 5 20 IIBD Cc1nccn1C[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 482984892 BJXWPAKTFRLGML-HNNXBMFYSA-N 441.919 4.431 5 20 IIBD C[C@]1(c2ccc(F)cc2)CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 483408049 NRKLDGDNSGJTDA-IBGZPJMESA-N 436.281 4.099 5 20 IIBD CC(C)Oc1ccc([C@@H](CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])N(C)C)cc1 489965958 PACVTQIOSRGCHA-JOCHJYFZSA-N 448.523 4.477 5 20 IIBD O=C(NCc1cccc(N2CCOCC2)c1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 490564515 HPCDYOADPIKIBD-UHFFFAOYSA-N 433.464 4.154 5 20 IIBD CS(=O)(=O)c1cccc([C@@H](NCCc2ccc([N+](=O)[O-])cc2)c2cc(F)ccc2F)c1 491022971 QNEHQRQKAVKBJV-JOCHJYFZSA-N 446.475 4.198 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc1[N+](=O)[O-] 493340616 WKWNTBLIVGFBSZ-UHFFFAOYSA-N 438.918 4.108 5 20 IIBD COCCN(Cc1cc(Br)cs1)C(=O)Nc1cc([N+](=O)[O-])ccc1C 494138196 XQXQJICLCNMNSI-UHFFFAOYSA-N 428.308 4.408 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCCc2csc(-c3ccccc3)n2)cc1SC 497345770 JAZWVRSESJPFBT-UHFFFAOYSA-N 429.523 4.421 5 20 IIBD O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCO[C@H](c2cccc(Br)c2)C1 499791421 DEFOPNQXPGXIJA-KRWDZBQOSA-N 430.258 4.052 5 20 IIBD O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc2ccccc2c2cccnc12 500025061 MYVLZQJZUJUBRE-UHFFFAOYSA-N 445.544 4.103 5 20 IIBD O=C(Nc1cc(Cl)ccc1C(F)(F)F)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 500237442 QRORETLHBJPXLZ-UHFFFAOYSA-N 441.793 4.397 5 20 IIBD CCOc1ccccc1Oc1ccc(CN=c2c(Br)c[nH]cc2[N+](=O)[O-])cn1 500274892 FBWVHMOIHKYDFH-UHFFFAOYSA-N 445.273 4.372 5 20 IIBD C[C@@H]1CN(CCCNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@@H](C)O1 500284112 SNTVYUQYWXJWJG-HZPDHXFCSA-N 447.919 4.270 5 20 IIBD O=C(Nc1cccc(OCCc2ccccc2)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 501653094 CXPRKJGQSLCOEJ-UHFFFAOYSA-N 429.436 4.049 5 20 IIBD COc1ccc(CN2CCOC[C@@H]2c2c(C)nn(-c3ccccc3F)c2C)cc1[N+](=O)[O-] 501752984 OXTIUOOVVICOJO-OAQYLSRUSA-N 440.475 4.119 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc2cccc(Cl)c2n1 505439375 GPZACTIDPWDAMD-UHFFFAOYSA-N 426.816 4.123 5 20 IIBD Cc1cccc(C(=O)N2CCCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)c1 506464880 DZCNEMFMMUCDOW-UHFFFAOYSA-N 436.537 4.375 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N(CC1CCCCC1)c1ccccn1 507976030 UHOXRDXNJDKEOS-UHFFFAOYSA-N 438.484 4.291 5 20 IIBD CC(C)(C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1csc(-c2ccccc2F)n1 508487845 HXERAZGMIZRZCH-UHFFFAOYSA-N 443.504 4.195 5 20 IIBD O=[N+]([O-])c1cc2c(c(CS(=O)(=O)Cc3ccccc3Oc3ccccc3)c1)OCOC2 509041945 XOWRJUBJMCSQRQ-UHFFFAOYSA-N 441.461 4.369 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2ccc(C(=O)N(C)C)cc2)cc1 509144718 SCLRNRYYFTZTGW-UHFFFAOYSA-N 449.463 4.028 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(Cc2ccccn2)Cc2ccccc2C)cc1C 510233695 OTKFRCBEDWVGML-UHFFFAOYSA-N 425.510 4.306 5 20 IIBD CCOc1ccc(S(=O)(=O)N(C)C)cc1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 511765178 NIJLHLZQGIGWDZ-UHFFFAOYSA-N 445.497 4.116 5 20 IIBD CC(=O)NCCN(Cc1ccsc1)C(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C 512061345 NBYCMLBMLQRXCD-UHFFFAOYSA-N 435.571 4.183 5 20 IIBD C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cccc([N+](=O)[O-])c1 512093030 XOHQRCIPNNXWBT-KBXCAEBGSA-N 436.434 4.248 5 20 IIBD CCOc1ccc([C@@H](C)NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1OC 515191940 HOXXUBUJJINOMN-GFCCVEGCSA-N 428.894 4.003 5 20 IIBD COC(=O)Cc1sc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])nc1-c1ccccc1 517655740 SVJNEFXFCBDTEQ-UHFFFAOYSA-N 431.857 4.340 5 20 IIBD COc1cc(C(=O)N(C)[C@@H]2CCCc3nc(C)sc32)c([N+](=O)[O-])cc1OC(F)F 517667242 ZMTUXIOFSOBPEM-GFCCVEGCSA-N 427.429 4.119 5 20 IIBD COc1ccccc1-c1noc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)n1 517754122 FBEGPQHSDCIZBZ-SNVBAGLBSA-N 436.346 4.163 5 20 IIBD C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc(S(=O)(=O)N(C)C)c1 518278313 LUQMOYZFHPXKJZ-HNNXBMFYSA-N 445.566 4.424 5 20 IIBD C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 520383220 JYJJVOWVEPMRCL-HNNXBMFYSA-N 436.434 4.076 5 20 IIBD C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccc(F)cc2)cc1 521007860 BUXYDASDEHMJLA-HNNXBMFYSA-N 436.443 4.276 5 20 IIBD Cc1cccc(-n2nc(-c3ccco3)cc2NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1 523163028 KWSPWLVJPZNING-UHFFFAOYSA-N 432.392 4.330 5 20 IIBD C[C@@]1(c2ccc(OC(F)(F)F)cc2)NC(=O)N(Cc2ccc(Cl)cc2[N+](=O)[O-])C1=O 523810120 VEOVOJIICPKLRF-KRWDZBQOSA-N 443.765 4.114 5 20 IIBD COc1cc(C(=O)Nc2cccc(-c3nc4ccccc4n3C)c2)cc([N+](=O)[O-])c1OC 525235583 FCPMFUMTZUKKSO-UHFFFAOYSA-N 432.436 4.418 5 20 IIBD O=C(c1cnc2ccsc2c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 525629840 QTKYEBNHQQBRNT-UHFFFAOYSA-N 436.415 4.186 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccc(Br)cc1O 530790120 YCPFVZFVQLVYKA-UHFFFAOYSA-N 430.052 4.007 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)cc1[N+](=O)[O-] 531214249 QLLGWANFGRVCID-INIZCTEOSA-N 443.463 4.034 5 20 IIBD COc1cc([C@@H](C)NC(=O)c2cc(C(=O)O)cc([N+](=O)[O-])c2)ccc1OC1CCCC1 531739569 LXWKXBCBLLYFGG-CYBMUJFWSA-N 428.441 4.114 5 20 IIBD COc1ccc(CSCc2nc(-c3cc(OC)c(OC)c(OC)c3)no2)cc1[N+](=O)[O-] 531750690 JFFCNZCYVVWJGT-UHFFFAOYSA-N 447.469 4.113 5 20 IIBD CCN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(=O)Nc1c(F)cccc1F 532466355 KLJYIGPETOUHDX-UHFFFAOYSA-N 430.411 4.031 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1COc2ccc(Br)cc21 534702665 URTMEUFLOIADHC-NSHDSACASA-N 429.173 4.073 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(-c3ccccc3)cnc2C)cc1OC 534810395 ROJUKIRYSXRSKZ-UHFFFAOYSA-N 437.452 4.251 5 20 IIBD COC(=O)c1ccc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c(OCC(F)(F)F)c1 536510358 OXKSBFTWUOAHBH-UHFFFAOYSA-N 437.330 4.056 5 20 IIBD C[C@H](NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc(OCC2CC2)c(F)c1 537123893 NHBJTEZRGTUJCL-AWEZNQCLSA-N 429.448 4.172 5 20 IIBD CCCc1cc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n(C)n1 537931325 MOOZALAXQGIUNB-UHFFFAOYSA-N 439.438 4.155 5 20 IIBD O=C(N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 539444631 KNEBTNYXGMRMOT-SJLPKXTDSA-N 431.420 4.257 5 20 IIBD Cn1ccnc1[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1F 541265180 DZDRPABXDRFIMV-SFHVURJKSA-N 434.880 4.119 5 20 IIBD CC(=O)NCc1ccc(-c2csc(NC(=O)CSc3ccccc3[N+](=O)[O-])n2)s1 541267826 NYJPFBIKPNPGGC-UHFFFAOYSA-N 448.551 4.147 5 20 IIBD C[C@@H](C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F 541597835 MQWHMXJFEYXXDG-APWZRJJASA-N 437.475 4.120 5 20 IIBD Cc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2I)ccc1Cl 541643942 MAUVUPFVZANBNU-UHFFFAOYSA-N 430.629 4.091 5 20 IIBD CCn1cc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c(=O)c2cc(Cl)ccc21 541777577 IXWVTFNVXOYRSA-UHFFFAOYSA-N 427.888 4.336 5 20 IIBD O=[N+]([O-])c1cccc(-n2ccc(-c3nc(-c4ccc(Oc5ncccn5)cc4)no3)n2)c1 544051715 ODXXPCCTPIRHLQ-UHFFFAOYSA-N 427.380 4.080 5 20 IIBD CCn1c(SCc2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)nnc1-c1ccco1 545146058 UYHYPJZKKLAMGO-UHFFFAOYSA-N 426.458 4.041 5 20 IIBD O=C1CCCN1Cc1ccccc1-c1noc(-c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 546984238 UKSSKVOTEYXECI-UHFFFAOYSA-N 432.358 4.453 5 20 IIBD Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F 547244308 QSXOQXIYKBLVCF-UHFFFAOYSA-N 441.381 4.251 5 20 IIBD Cc1n[nH]cc1CNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 547974489 NXDNUKOQFJPQKE-MHWRWJLKSA-N 433.493 4.483 5 20 IIBD Cc1csc(Oc2ccc(NC(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)cc2F)n1 548713024 LTELQQNBCAXDHJ-UHFFFAOYSA-N 440.416 4.124 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)c1 549087559 ZYTGFMYZMBWJJJ-AWEZNQCLSA-N 448.317 4.012 5 20 IIBD CCCCCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)C)CC1 549818438 FMAQXGHIKVZSFC-UHFFFAOYSA-N 442.564 4.032 5 20 IIBD CCc1nc(-c2ccccc2NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)n[nH]1 550321492 QMXDNUVSQZJKGE-UHFFFAOYSA-N 430.262 4.266 5 20 IIBD COc1ccc(-c2nc(C)c(C(=O)N(C)CCc3ccccc3[N+](=O)[O-])s2)c(F)c1 552613203 BIWQJWMSQOPQNH-UHFFFAOYSA-N 429.473 4.489 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1 565446593 MEJZTHLETDBBOQ-CQSZACIVSA-N 435.889 4.341 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@]2(CCc3ccccc3O2)C1 568813347 YXRKBYSCSDONBB-HXUWFJFHSA-N 435.402 4.293 5 20 IIBD O=C(NCc1ccc(OCCN2CCCC2)cc1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 570830918 PHWZPTFJDCLORN-UHFFFAOYSA-N 437.418 4.018 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2c(C)c(C(C)(C)C)nn2-c2ccccc2)cc1[N+](=O)[O-] 574106540 BGLNMXVXCYUIKI-UHFFFAOYSA-N 428.514 4.496 5 20 IIBD COc1cc(Cc2noc(-c3ccc4ccc(Cl)cc4n3)n2)c([N+](=O)[O-])c(OC)c1 577337491 GLOANSHBCPRHRW-UHFFFAOYSA-N 426.816 4.454 5 20 IIBD CCOC(=O)c1cc2cc(NC(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)ccc2s1 581913403 GILRBZRIEUIHOO-UHFFFAOYSA-N 441.465 4.413 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(C[S@@](=O)Cc3cc4c(cc3Cl)OCCO4)co2)cc1 582445060 BGXUGPJAJSFNKC-LJAQVGFWSA-N 434.857 4.123 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCCCO[C@@H](C)c3ccccc3)cc2)c(C)c1[N+](=O)[O-] 590451279 PCNKOENTJGCFLH-IBGZPJMESA-N 436.512 4.354 5 20 IIBD Cc1c(NC(=O)[C@H](C)Sc2n[nH]c(COc3ccc(Cl)cc3)n2)cccc1[N+](=O)[O-] 597862547 TTXPJVRIMGOJQO-LBPRGKRZSA-N 447.904 4.373 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1 603983843 DVVAPNOZLBSGML-UHFFFAOYSA-N 431.514 4.109 5 20 IIBD CCCCN(C)C(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 604180758 ZPPMBFVAAXXJOY-UHFFFAOYSA-N 439.512 4.498 5 20 IIBD O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 608817453 QZAUXRRKIMVFPP-CQSZACIVSA-N 435.415 4.285 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(CCc2ccccc2)Cc2ccncc2)cc1C 608886757 CTYXSURXQFCRKL-UHFFFAOYSA-N 425.510 4.040 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(Cc1ccccc1Cl)C1CCCC1 609175506 HSNSXSWGHJBZPV-HNNXBMFYSA-N 429.904 4.338 5 20 IIBD C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1C(F)(F)F 609501526 PVTQBMPSFPCMIA-RISCZKNCSA-N 441.431 4.157 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1ccc(OCCc2ccccc2)nc1 609911048 BLZCEXKNKZDEEK-UHFFFAOYSA-N 433.873 4.066 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c1 610223823 MCIILYIOBAVUFA-UHFFFAOYSA-N 444.535 4.473 5 20 IIBD CC(C)c1ccc(CS(=O)(=O)C[C@@H](O)COc2ccccc2[N+](=O)[O-])c(C(C)C)c1 612037445 IVXQCAIPICGSGU-IBGZPJMESA-N 435.542 4.196 5 20 IIBD COC(=O)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)n1 616513654 SKIABHHYQOBQLK-UHFFFAOYSA-N 429.498 4.240 5 20 IIBD Cc1c(NC(=O)[C@H](C)N2CCO[C@@H](c3ccccc3Br)C2)cccc1[N+](=O)[O-] 725809362 PANXBHHUAPEEQX-IFXJQAMLSA-N 448.317 4.066 5 20 IIBD Cc1sc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c(C(N)=O)c1C 728168178 BHAJKMGCDUDTPG-VXGBXAGGSA-N 430.530 4.107 5 20 IIBD CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 728260831 PYFBORRWTYPPQT-UHFFFAOYSA-N 435.864 4.404 5 20 IIBD O=C(CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)NC[C@H]1CCS(=O)(=O)C1 729262788 QSQGVEUTIWUSID-MRXNPFEDSA-N 433.529 4.098 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3c(F)cccc3-n3cccn3)cc2)c(C)c1[N+](=O)[O-] 730195609 CYLUKHFMYQEJHU-UHFFFAOYSA-N 434.431 4.034 5 20 IIBD C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc(I)c([N+](=O)[O-])c1 730470400 HUBBJSOVRRFOIA-VIFPVBQESA-N 446.191 4.311 5 20 IIBD O=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)c1ccc(Br)c([N+](=O)[O-])c1 730756929 COPQVTOOBPKSEE-CYBMUJFWSA-N 439.237 4.307 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cc(C)c(OC(F)F)c(C)c1 730858495 MJBSMCOWOMQJBV-LBPRGKRZSA-N 438.383 4.006 5 20 IIBD Cc1ccc(S(=O)(=O)c2ccc(COC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2)cc1 731529141 MVHHWKXNVHLCRS-UHFFFAOYSA-N 429.425 4.232 5 20 IIBD CCCCN1C(=O)N[C@H](c2csc(-c3cccc([N+](=O)[O-])c3)n2)C(C(=O)OC)=C1C 733122158 WJWVVYDOWWVYFZ-QGZVFWFLSA-N 430.486 4.032 5 20 IIBD O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccc(OCc2cccnc2)cc1 733687235 AZTDWLIDLSWLOD-UHFFFAOYSA-N 448.479 4.037 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](OC(=O)[C@H]1C[C@H]2CC[C@H]1O2)c1ccccc1 733836738 PAOBOHWEAKTJNR-OHQAAIJDSA-N 430.844 4.039 5 20 IIBD CN(C(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)[C@H]1CCS(=O)(=O)C1 735875728 GTCVYDYKBRPTAS-IBGZPJMESA-N 433.529 4.192 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl 736158151 IXSNHBZWMDYYMB-UHFFFAOYSA-N 444.296 4.002 5 20 IIBD COc1ccc([C@@H]2[C@H](COC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)CCC(=O)N2C)cc1 740561501 GTQJNUBRDFMJHT-HTAPYJJXSA-N 440.496 4.034 5 20 IIBD COC(=O)CC(C)(C)NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 741197083 WULWJXXFKXWDSS-UHFFFAOYSA-N 445.522 4.427 5 20 IIBD Cc1ccc([C@@H]2CCCCN2C(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cc1 741592233 HYDIEKUPAAICRU-PXNSSMCTSA-N 425.460 4.149 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1Nc1cnn(Cc2ccc(Cl)cc2)c1 742424865 WQIIAPRKWWMTHE-UHFFFAOYSA-N 442.831 4.233 5 20 IIBD Cc1ccccc1-c1cnc(COC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)o1 744928922 ZMYKWYDLMBDIPK-FQEVSTJZSA-N 449.463 4.215 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)OCC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 745334526 UFHWRPDDYPXMFO-GOSISDBHSA-N 437.279 4.351 5 20 IIBD Cc1ccc(C(=O)OCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1NC(=O)OC(C)(C)C 745456500 YYFDNBXHEVPQSB-UHFFFAOYSA-N 443.456 4.070 5 20 IIBD CCOCCOCc1cccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1C 745982175 AKJNVVKNSNYYSH-UHFFFAOYSA-N 437.290 4.471 5 20 IIBD CCN(CC)[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1ccco1 749421136 WDLIXSVNCQLKKB-CQSZACIVSA-N 444.713 4.417 5 20 IIBD CN(C)[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1ccc(F)cc1 749568353 KGTRVVRKWKQCLP-OAHLLOKOSA-N 444.688 4.183 5 20 IIBD CS(=O)(=O)c1cccc([C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c2ccccc2)c1 750199052 YUXORSOQVLOYSR-IBGZPJMESA-N 444.896 4.171 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 752103629 TWNZFNPLEJWGLN-VQIMIIECSA-N 439.468 4.010 5 20 IIBD COc1ccc(NC(=O)[C@H](OC(=O)c2c(F)ccc([N+](=O)[O-])c2F)c2ccccc2)cc1 752568861 UCIOPYNSQLCVPS-HXUWFJFHSA-N 442.374 4.418 5 20 IIBD Cc1c(C(=O)NCC[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 753292506 FCBGAZMQTQUXDA-DNVCBOLYSA-N 440.500 4.150 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccc3c(c2)ncn3C)c2ccccc2)c([N+](=O)[O-])c1 753465917 VNIQPFLOZYUOAA-QFIPXVFZSA-N 444.447 4.327 5 20 IIBD C[C@@H](CCn1cccn1)OC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 755829770 JHFZFWIQOUTGMP-SFHVURJKSA-N 445.479 4.209 5 20 IIBD COc1ccc(-c2nc(COC(=O)Cc3ccc([N+](=O)[O-])cc3Br)co2)cc1 756523849 AQPXEAQIVGGXSL-UHFFFAOYSA-N 447.241 4.307 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])O[C@H]([C@H]1CCCO1)C(F)(F)F 757556183 MJJSDMKWMVXHGJ-TZMCWYRMSA-N 430.301 4.069 5 20 IIBD Cc1cccc(Cl)c1NC(=O)COC(=O)c1cc([N+](=O)[O-])c(Br)cc1F 757717787 NIFYCORYQXTZCX-UHFFFAOYSA-N 445.628 4.254 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)OCc1ncc(-c2ccc(Br)cc2)o1 758080475 XLCCGYRTSHVMRR-UHFFFAOYSA-N 436.193 4.091 5 20 IIBD COc1ccccc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccco1 758750533 WHSXJYPBVKWXCN-GOSISDBHSA-N 431.242 4.478 5 20 IIBD CCOC(=O)c1cc(C(=O)O[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)cc([N+](=O)[O-])c1 758923649 DHGVSLIEUUMFAO-CQSZACIVSA-N 439.424 4.356 5 20 IIBD CC[C@@H](c1ccccc1)c1nnc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 760322373 XHLMYFKZSCKEIC-ZDUSSCGKSA-N 438.918 4.442 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])c2nsnc2c1)C(=O)Nc1cc(Cl)ccc1Cl 762967359 IXBVXVZSJWOAQK-ZETCQYMHSA-N 441.252 4.090 5 20 IIBD O=C(Nc1ccc(C(=O)NCc2ccccn2)c(Cl)c1)c1ccc([N+](=O)[O-])c(Cl)c1 764198294 XIUNDYTXIZZCNQ-UHFFFAOYSA-N 445.262 4.479 5 20 IIBD O=C(OCc1nc2cc(C(F)(F)F)ccc2o1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 767285361 KNTIRVDIOVUTTO-UHFFFAOYSA-N 432.314 4.298 5 20 IIBD COc1ccc2cc([C@H](C)C(=O)NS(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])ccc2c1 770843846 RZKVLEWUEBTHRT-LBPRGKRZSA-N 448.884 4.019 5 20 IIBD Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 771467381 DUBMLNBYXVSLHY-GOSISDBHSA-N 439.903 4.452 5 20 IIBD COc1ccc(/C=C\C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1O 771938923 KJAQCXCVIZDBSD-SDQBBNPISA-N 434.404 4.180 5 20 IIBD CC(C)(C)C(=O)NCc1ccc(C(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)cc1 773442632 RZABZBVYDIZNKD-UHFFFAOYSA-N 449.301 4.377 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cc(-c3cccs3)nc3c1c(C)nn3C)CC2 773988718 JLGJCNRAJAFXTL-UHFFFAOYSA-N 433.493 4.425 5 20 IIBD O=[N+]([O-])c1ccc(OC[C@@H](O)c2ccc(F)c(Br)c2)c(Br)c1 774644531 APYXMBWTJADYNT-CYBMUJFWSA-N 435.043 4.371 5 20 IIBD CCOCC(=O)COC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 777033932 OARNHRGCHJAGCT-UHFFFAOYSA-N 432.479 4.118 5 20 IIBD O=C(OCc1cc2c(cc1Br)OCCCO2)c1cc([N+](=O)[O-])ccc1F 777068029 XSOLUYDPRKWYRG-UHFFFAOYSA-N 426.194 4.015 5 20 IIBD CC[C@@H](C)n1nc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cc1C 777982119 POYVHLRUAPPAST-CYBMUJFWSA-N 439.438 4.052 5 20 IIBD CC(C)(C)OC(=O)N1CCc2ncc(NC(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)cc2C1 778074929 SNALPIVDZNPFML-UHFFFAOYSA-N 448.426 4.014 5 20 IIBD CCOc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 781258353 BUURNZPKRABNIN-HNNXBMFYSA-N 430.460 4.264 5 20 IIBD CC(C)[C@H](OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)N1C[C@@H](C)C[C@@H](C)C1 781260146 NSQCZBCQJPCXIA-SRGWNRLKSA-N 434.536 4.367 5 20 IIBD O=C(CCN1CCCCC[C@H]1C[C@H](O)c1cccs1)Nc1cc([N+](=O)[O-])ccc1F 782507912 WLUXSVOQUWNXJI-KXBFYZLASA-N 435.521 4.492 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](CCOC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 783185937 ZSWUVDINZGNCLV-MRXNPFEDSA-N 436.508 4.485 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC(OCc2ccccc2OC)CC1 790272284 DIRDOQGWSCLPHZ-UHFFFAOYSA-N 434.876 4.229 5 20 IIBD Cc1cc(F)cc(C(=O)N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)c1[N+](=O)[O-] 791037971 JXESAEFIPGZTDI-UHFFFAOYSA-N 435.496 4.296 5 20 IIBD CSc1ccccc1CN(C)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O 795453766 AKFTZEQNFAVQSE-UHFFFAOYSA-N 436.331 4.125 5 20 IIBD Cc1nc2ccccc2n1C1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 796465353 WYDPWWUYWRCDGC-UHFFFAOYSA-N 427.892 4.182 5 20 IIBD CNC(=O)c1cc(Oc2cccc(OC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])c2)ccn1 797015926 PPIPOEBLTVOWAM-UHFFFAOYSA-N 435.436 4.025 5 20 IIBD C[C@H](C(=O)O[C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1)[C@@H]1OCCc2sccc21 797146257 GNBRRWKJYLFPSO-KPHUOKFYSA-N 434.489 4.258 5 20 IIBD O=C(NS(=O)(=O)Cc1cccc(F)c1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 799622856 CWCVOAONXLRDIC-UHFFFAOYSA-N 446.481 4.145 5 20 IIBD COc1ccc(-c2ccc(C)c(NC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cn1 801087755 QKPLPSCNICNZTM-UHFFFAOYSA-N 436.424 4.453 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)Nc1ccc(Cl)c(F)c1N1CCOCC1 801920815 WAOGFUSIFMDOSB-UHFFFAOYSA-N 443.262 4.199 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 801972984 HCMOZBLHQODPPE-HNNXBMFYSA-N 444.536 4.003 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)O[C@H](C)C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1F 803462879 UXLDUZZYBAEOTH-CYBMUJFWSA-N 430.432 4.455 5 20 IIBD Cc1ccc(Cn2nc(C)c(C(=O)N(C)CCc3ccccc3[N+](=O)[O-])c2Cl)cc1 804175696 LCGZSZHKMGSNGS-UHFFFAOYSA-N 426.904 4.425 5 20 IIBD Cc1cc2cc(CNC(=O)N3CCc4c(Br)ccc([N+](=O)[O-])c4C3)ccc2[nH]1 807561549 RJJJTDWGUKTHEW-UHFFFAOYSA-N 443.301 4.415 5 20 IIBD CN(C(=O)c1cc(=O)c2ccc(F)cc2o1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 808694411 FIXVGDSWHSPFCO-UHFFFAOYSA-N 425.397 4.240 5 20 IIBD O=C(Nc1ccc(OS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cc1)c1ccco1 809804850 LMYOZEPCFBFDID-UHFFFAOYSA-N 440.792 4.000 5 20 IIBD Cc1cccc([C@H]2CCCN2C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c1C 810398125 GXUFUWIXIXGRSD-QGZVFWFLSA-N 446.301 4.276 5 20 IIBD CC[C@H]1[C@H](C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCN1C(=O)OC(C)(C)C 810452411 NUGMEVNRJMIVHH-UXHICEINSA-N 447.532 4.000 5 20 IIBD COc1ccc(C(=O)[C@H](C)OC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1OC 811372870 JJFXTWPIDCCVMF-VIFPVBQESA-N 428.224 4.347 5 20 IIBD O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813043142 FKBJWECBWGHOIT-AWEZNQCLSA-N 428.659 4.090 5 20 IIBD O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1cc([N+](=O)[O-])ccc1N1CCCC1 863947123 XMOGONRUTLMVHI-UHFFFAOYSA-N 438.465 4.300 5 20 IIBD O=[N+]([O-])c1c(-c2nc(-c3cccc(CN4CCCCC4)c3)no2)ccc2c1OCCCO2 904443758 RGOQYHNYFSFDQK-UHFFFAOYSA-N 436.468 4.459 5 20 IIBD Cc1cc([N+](=O)[O-])nn1Cc1cccc(-c2nc(-c3ccc(Br)cn3)no2)c1 904845053 MKWCZEQAGJVGIC-UHFFFAOYSA-N 441.245 4.023 5 20 IIBD COc1ccc(CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C2CCCCC2)cc1OC 914514504 YYWBSTHKCHDLKP-UHFFFAOYSA-N 443.456 4.495 5 20 IIBD COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1NC(=O)OC(C)(C)C 915187073 HEHURMOLXMECCW-UHFFFAOYSA-N 437.474 4.060 5 20 IIBD O=C(OCc1ccc(SC(F)F)cc1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 916057706 ULVGYLGNNCNGLO-LBPRGKRZSA-N 440.399 4.145 5 20 IIBD CC[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1OCC(=O)N1CCCC1 917586865 PKRSCWSAGJUTBL-LJQANCHMSA-N 442.541 4.034 5 20 IIBD Cc1csc(Sc2ccc(NS(=O)(=O)c3cccc(F)c3[N+](=O)[O-])cc2)n1 918398890 BRZBATVNGOSJIA-UHFFFAOYSA-N 425.488 4.451 5 20 IIBD Cc1cc(C(=O)COC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1nccs1 919213443 JPXHJMXADNABJX-UHFFFAOYSA-N 425.422 4.245 5 20 IIBD CC(C)[C@@H](NC(=O)COC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 920776924 BFVNVESRNOEAJP-JLTOFOAXSA-N 434.876 4.072 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O[C@H](C)C(=O)Nc1ccc(Cl)cc1 920778750 VJQQEFNZQMQAKX-MNOVXSKESA-N 427.240 4.239 5 20 IIBD O=C(c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)N1CCc2c(ncn2-c2ccccc2)C1 929078288 VIEYBXMJELPRKC-UHFFFAOYSA-N 435.242 4.425 5 20 IIBD O=C(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H](Sc1ccccc1F)c1ccccc1 1116003720 OFOLMDGBVDCWGT-LJQANCHMSA-N 446.481 4.072 5 20 IIBD Cc1nc(-c2ccc3c(c2)CCN3C(=O)Cn2nc(C)c3cc([N+](=O)[O-])ccc32)cs1 1319290318 MQDJDUZPPDFHDQ-UHFFFAOYSA-N 433.493 4.274 5 20 IIBD COc1cc2c(cc1NC(=O)CN1CCc3ccc([N+](=O)[O-])cc3C1)oc1ccccc12 1324256069 WMJAEOLSIOWIOH-UHFFFAOYSA-N 431.448 4.500 5 20 IIBD Cc1nc(-c2ccc3c(c2)CCN3C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cs1 1337520278 YJRHFXAMGJCVQV-UHFFFAOYSA-N 438.465 4.457 5 20 IIBD O=C(Cn1ccc2ccc([N+](=O)[O-])cc21)Nc1ccc(C2(NC(=O)CC3CC3)CCC2)cc1 1786277777 TWYORWMUKIAHGQ-UHFFFAOYSA-N 446.507 4.484 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(C2(NC(=O)c3ccccn3)CCC2)cc1 1792315551 AFTPGLLUGURNBW-NTEUORMPSA-N 442.475 4.451 5 20 IIBD Cc1cccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2ccc(C)c([N+](=O)[O-])c2)C3)c1 1793970885 PZHUCKJSIXOYEH-NUNAXRQHSA-N 449.551 4.025 5 20 IIBD CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1 1800528241 JJSMFVXDXGBWCT-FCGDIQPGSA-N 439.487 4.180 5 20 IIBD Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2CCC[C@H]2C)C3)cc(Cl)cc1[N+](=O)[O-] 1800712315 ZINLFTIQHPBBIR-SOGIYBJLSA-N 433.936 4.245 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(C)CCC2)CC1 1823709549 IIUYPPWKFBPAPI-IBGZPJMESA-N 443.544 4.032 5 20 IIBD O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)Nc1ccc(F)c([N+](=O)[O-])c1 9639107 WGWFYZWHLGHPSY-UHFFFAOYSA-N 431.424 4.197 5 20 IIBD CCOc1ccc([C@@H](C)NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1OCC 17969893 LWBBOGRFSAIOMN-QGZVFWFLSA-N 441.528 4.486 5 20 IIBD Cc1ccc(-c2csc(NC(=O)COC(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 23552264 OXTQOQCALZXUAJ-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD Cc1ccc(S(=O)(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] 26877886 NZNOQHCNSTXBCX-NXEZZACHSA-N 434.358 4.091 5 20 IIBD COc1ccc(-c2nc(C(=O)O[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)cs2)cc1 27415974 KRZUBUDERSYOBH-CYBMUJFWSA-N 441.465 4.219 5 20 IIBD Cc1ccc(C)c(C(=O)c2ccccc2C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])c1 28609394 KHKIUSNTFRJZQP-UHFFFAOYSA-N 432.432 4.238 5 20 IIBD O=C1CCc2cc(F)c(NC(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)cc2N1 33217928 WJPPRAQXTOGPQA-UHFFFAOYSA-N 434.427 4.483 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC=C(c2ccc(O)cc2)CC1 57841919 AMRCZHZXNBRHTH-UHFFFAOYSA-N 435.402 4.437 5 20 IIBD O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc(Sc2ccc(Br)cc2)cc1 59265826 VORZIYOPXIOGIK-UHFFFAOYSA-N 433.287 4.344 5 20 IIBD O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)Nc1ccccc1-c1ccccc1 60826395 CADRMDWTYHZJFE-UHFFFAOYSA-N 426.432 4.124 5 20 IIBD COC(=O)c1ccc(OC(C)C)c(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 63622031 OKCKZPRZVNWGFV-UHFFFAOYSA-N 441.484 4.024 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccc(N2CCCCCC2)nc1 64420982 CEKMKMQXPYKDSW-HNNXBMFYSA-N 432.908 4.107 5 20 IIBD CCOC(=O)CN(Cc1ccc(F)cc1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 64970999 AFLPZZOLVIRFSX-UHFFFAOYSA-N 443.456 4.063 5 20 IIBD CCCCNC(=O)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 65156116 SKLHRJLUVSUSPC-QGZVFWFLSA-N 425.485 4.156 5 20 IIBD Cc1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2n1 247935069 DSPKMZXCYJIECN-UHFFFAOYSA-N 433.287 4.340 5 20 IIBD O=c1c(Cl)c(NC[C@@H]2CCCO[C@@H]2c2ccccc2)cnn1-c1ccc([N+](=O)[O-])cc1 301189801 RAPYTVGKLGCDAL-HRAATJIYSA-N 440.887 4.374 5 20 IIBD O=C(Nc1ccc(F)c(C(F)(F)F)c1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303413396 AQHMRUWFFLUYCF-GFCCVEGCSA-N 431.367 4.058 5 20 IIBD Cc1cccc(C)c1NC(=O)CN(C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 426264603 CYNDEDWZYHEQEZ-UHFFFAOYSA-N 438.406 4.011 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@H](c2ccccc2)C(C)C)cc(Br)cc1[N+](=O)[O-] 430298826 APXSIYQTFIOWSP-KRWDZBQOSA-N 434.290 4.118 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H]2C[C@H]2c2cccc3ccccc23)ccc1[N+](=O)[O-] 431151983 PEBHYQLWRVQBIY-WMTXJRDZSA-N 443.503 4.333 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCO[C@@H](c2cccc(F)c2)C1 436347936 URFLHIUBAXPZDO-OAQYLSRUSA-N 438.405 4.312 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N[C@@H]2CC[C@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] 438673213 MIVUBMCPISGIFG-SJLPKXTDSA-N 437.525 4.016 5 20 IIBD Cc1c(CC(=O)Nc2ccnn2Cc2ccccc2Br)cccc1[N+](=O)[O-] 439076605 GWXQFXPFAUGIJN-UHFFFAOYSA-N 429.274 4.092 5 20 IIBD Cc1c(NC(=O)[C@H](C)NCc2ccccc2CN(C)Cc2ccco2)cccc1[N+](=O)[O-] 439598871 RGARJMOEMNJNAJ-SFHVURJKSA-N 436.512 4.245 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 441541674 FCPXHIDMNWPGLH-CQSZACIVSA-N 441.296 4.304 5 20 IIBD O=C(NCC1(N2CCSCC2)CCCCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 444016196 YJDZOMBZKCYVJI-UHFFFAOYSA-N 435.593 4.163 5 20 IIBD COc1ccccc1O[C@H](C)CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444087344 LETPCSAPZOKCSV-CYBMUJFWSA-N 438.430 4.165 5 20 IIBD CCS[C@H](C)c1noc(CN(C)C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)n1 444244514 IFHPLBAJUMEIQW-GFCCVEGCSA-N 440.500 4.290 5 20 IIBD CCc1ccc(NC(=O)Cc2noc(-c3ccc([N+](=O)[O-])cc3Br)n2)cc1 445328196 NVIZTRKSABNYAW-UHFFFAOYSA-N 431.246 4.151 5 20 IIBD CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 446494424 LCDYOPANPXFKAD-MRXNPFEDSA-N 428.489 4.081 5 20 IIBD Cc1nc(-c2ccc(CCNC(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)s2)cs1 447234726 CFXRZJPTICNFNY-UHFFFAOYSA-N 428.539 4.399 5 20 IIBD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NC[C@@H]2CCN(c3cccc(Br)c3)C2)n1 447544673 VKKUOGKSZQVGDY-ZYSHUDEJSA-N 448.365 4.154 5 20 IIBD COc1cccc(O[C@H](C)CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 461380477 NIBIZDWKLCOQLX-QGZVFWFLSA-N 435.480 4.413 5 20 IIBD CC(C)(C)c1nc2ccc(NCC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)cc2s1 462186346 FOICOMBCBVTYFZ-UHFFFAOYSA-N 428.470 4.281 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC(=O)Nc1ccccc1Br 462386675 CHAYSYIGGJZEMN-OAHLLOKOSA-N 448.317 4.023 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC2(CCN(C)CC2)Oc2ccccc21 462904112 SMNVRJAYJSJVBL-KNQAVFIVSA-N 437.540 4.268 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](C)[C@H](C)c1ccccc1C(F)(F)F 464039267 HOTHHTPGSAKHQA-GXTWGEPZSA-N 437.418 4.477 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ccc(-c2nc3ccccc3o2)cc1 465056925 GABZOGIZKGXEGS-UHFFFAOYSA-N 431.404 4.355 5 20 IIBD Cc1ccc(NCCCNC(=O)N[C@H](C)c2nc(C3CCCCC3)no2)c([N+](=O)[O-])c1 465992734 VFJWKRWEDYQQMD-OAHLLOKOSA-N 430.509 4.196 5 20 IIBD CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 466537979 DNISDSJOOPKENB-ZBFHGGJFSA-N 433.917 4.044 5 20 IIBD CSc1ccc(F)cc1CNc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] 467011929 FUQQTUIFYVJNJE-UHFFFAOYSA-N 439.534 4.243 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CCOc2c(-c3ccccc3)cccc21 469348674 XCWCJQBHYWEDIV-WOJBJXKFSA-N 449.511 4.134 5 20 IIBD COc1ccc(C(=O)CCCCCC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 473492099 XJKNFPBQKVNALV-UHFFFAOYSA-N 439.512 4.085 5 20 IIBD COC(=O)COc1ccc(CN(C)[C@@H](C)c2ccccc2Br)cc1[N+](=O)[O-] 475556047 ZXYPTWWNZHFZFL-ZDUSSCGKSA-N 437.290 4.102 5 20 IIBD C[C@H](CCCO)NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 477693146 IZDRITVBJXKQFS-WIZMWCRPSA-N 425.510 4.412 5 20 IIBD O=C(Nc1ccc(OC(F)F)c2cccnc12)c1ccn(-c2ccccc2[N+](=O)[O-])n1 479234543 AZAQGQPEKIHDEZ-UHFFFAOYSA-N 425.351 4.182 5 20 IIBD Cc1c(CNC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cccc1[N+](=O)[O-] 480072535 YXMNUVVRISLUDW-UHFFFAOYSA-N 438.406 4.080 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)c1[N+](=O)[O-] 480213890 MIKBLFAFHQMHRF-MRXNPFEDSA-N 431.514 4.027 5 20 IIBD COC(=O)c1nc([C@@H]2CCCN2c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)sc1C 480588542 ZYGDDMOTTUCDOG-INIZCTEOSA-N 439.497 4.253 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)c1 481890494 IOLLYDDSHGTEOU-NQIIRXRSSA-N 425.554 4.443 5 20 IIBD Cc1c(CC(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)cccc1[N+](=O)[O-] 482345050 PUOMKTIFDOANQT-NTKDMRAZSA-N 432.480 4.076 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 482807622 WEIGSTWJTDJHST-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD O=C(Nc1cccc(Cl)c1Br)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 485235137 CQAUDTUTSMXGPD-UHFFFAOYSA-N 426.654 4.306 5 20 IIBD CCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C 487278389 TXXNCJPLLPZZIC-MGPUTAFESA-N 432.546 4.067 5 20 IIBD Cc1ccc([C@H](C)NC(=O)NCC2(N[C@@H](C)c3ccccc3)CCOCC2)cc1[N+](=O)[O-] 489567489 WZYYFBRGNJSTKD-OALUTQOASA-N 440.544 4.163 5 20 IIBD CCc1ccc([C@H](NCCCn2cc(Br)cn2)c2ccc([N+](=O)[O-])cc2)o1 490258551 ZQLOHQQLCNWZOJ-LJQANCHMSA-N 433.306 4.479 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)cc1[N+](=O)[O-] 491601611 NFLDEDRNUBRFQM-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1 492635051 FXVSFPVPKGRFEX-UHFFFAOYSA-N 428.514 4.133 5 20 IIBD CCc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)cn2)c1 493990775 DCOGHAUJPPJVQZ-MRXNPFEDSA-N 448.479 4.469 5 20 IIBD C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 494427179 FAFHNMNIKCACNI-KSSFIOAISA-N 436.434 4.248 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccccc1Nc1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 495283364 KHJIUIGJWWYQAW-CYBMUJFWSA-N 440.406 4.433 5 20 IIBD CC(=O)Nc1cccc(Nc2nnc(SCC(=O)c3ccc([N+](=O)[O-])cc3)s2)c1 497326415 UEMAKPYSDZSGQV-UHFFFAOYSA-N 429.483 4.123 5 20 IIBD O=C(Nc1cccc(Cl)c1OCC(F)F)N1CCN(c2ccccc2[N+](=O)[O-])CC1 497631314 HXLSOERMACIYFE-UHFFFAOYSA-N 440.834 4.246 5 20 IIBD O=C(CN1CCCCCC1)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 497919387 ZBYXDUNOPUTMGT-UHFFFAOYSA-N 447.495 4.210 5 20 IIBD O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc([N+](=O)[O-])ccc1SCCO 498039760 XOPRTTIICUQDDB-UHFFFAOYSA-N 434.477 4.475 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cccc(COc2ccc(F)cc2)c1)c1ccccc1[N+](=O)[O-] 499760234 BCCPCPGSPRXVSI-HNNXBMFYSA-N 437.427 4.129 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 502112320 QZDBJBOZUUPITM-AWEZNQCLSA-N 435.415 4.081 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(Cc2ccc(OC)cc2)CC1 505741424 FJWYWQUFQUSHEY-UHFFFAOYSA-N 443.569 4.454 5 20 IIBD Cn1ncc2c(NCc3ccc(Oc4ccc([N+](=O)[O-])cc4Cl)c(F)c3)ncnc21 506174254 IKYUAPYRHLVSEN-UHFFFAOYSA-N 428.811 4.468 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(-n4cncn4)c(F)c3)cc2[N+](=O)[O-])C1 509517089 PRQOCUGHCLXXTO-GASCZTMLSA-N 438.463 4.049 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(NC(=O)c2ccccn2)c1 509731500 ACSNOBNWNKFBMI-UHFFFAOYSA-N 447.495 4.362 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 510529471 MXRGFGVULVKBDB-CQSZACIVSA-N 447.847 4.304 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)c1 510595281 YECHTEZLBARUDN-GFCCVEGCSA-N 441.431 4.224 5 20 IIBD O=C(NC[C@@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1)c1ccccc1 513042167 VTGZNRBZYBZKJO-KRWDZBQOSA-N 436.537 4.360 5 20 IIBD O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1cc2c(cc1[N+](=O)[O-])OCO2 514659602 BDQSRTNLYINXEV-UHFFFAOYSA-N 448.254 4.462 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(SCc2cccnc2)cc1 515164430 OBAUXKLXYRGXEA-UHFFFAOYSA-N 436.493 4.041 5 20 IIBD O=C(NCc1ccc(COCc2ccccc2)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 515295883 RSDUCHLDEMUEKJ-UHFFFAOYSA-N 442.475 4.427 5 20 IIBD O=C1CCCc2cc(NCc3cc(I)cc([N+](=O)[O-])c3)ccc2N1 516999944 IBDSHNYQMIPADM-UHFFFAOYSA-N 437.237 4.086 5 20 IIBD O=C(NCc1ccc(-c2ccc3c(c2)CCO3)cc1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 518455667 KGUCCHCRTLJGLL-UHFFFAOYSA-N 441.443 4.381 5 20 IIBD O=C(NCc1ccncc1)Nc1cccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c1 519130109 DJVXHCQQHSMMBP-UHFFFAOYSA-N 430.424 4.045 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(NC(=O)CN2CCCC[C@@H]2C)ccc1F 520012679 UNKGAVRVAYWHQW-HNNXBMFYSA-N 428.464 4.108 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N[C@@H]1CCN(C2CC2)C1 520764975 QBSWZLHIOMKYJZ-VJSYINPZSA-N 448.548 4.488 5 20 IIBD O=C(CC1CCC(c2ccccc2)CC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 520801124 YJIWBWFLBQDVSE-UHFFFAOYSA-N 441.553 4.305 5 20 IIBD CC[C@@H]1CN(C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C[C@H](C)O1 521991391 JNNCKYBRQDDKSJ-GOEBONIOSA-N 428.510 4.187 5 20 IIBD C[C@H](CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1c(Cl)cccc1Cl 522524671 CHISTCMHYOOJNI-SECBINFHSA-N 430.675 4.413 5 20 IIBD CCN(CC)CCC[C@@H](C)NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 522937269 AJGFMGFQLIBXFL-CYBMUJFWSA-N 442.347 4.328 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCCCC[C@H]2c2ccc(C)o2)cc1OC 523121750 SYVJTKAYHCRLML-KRWDZBQOSA-N 432.473 4.288 5 20 IIBD CC[C@@H](C)[C@@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1 525076639 KYBBGMPJGGOXTD-CWTRNNRKSA-N 435.933 4.343 5 20 IIBD COc1ccc(-c2ccc(CNC3CCN(c4cc(C)nc(C)n4)CC3)o2)c([N+](=O)[O-])c1 531165090 SSHNLECQKZJDRN-UHFFFAOYSA-N 437.500 4.029 5 20 IIBD O=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1cc(Br)cc([N+](=O)[O-])c1 532888155 FVEWJJKLMWKOET-UHFFFAOYSA-N 438.241 4.319 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC(Oc2ccccc2Cl)CC1 533148011 KCCVNOZPWOYTGW-CQSZACIVSA-N 433.892 4.127 5 20 IIBD COc1ccc(C(=O)N2CCC(C(=O)N(C)c3cccc([N+](=O)[O-])c3)CC2)c2ccccc12 533606466 KTDAQLUOVDRPEZ-UHFFFAOYSA-N 447.491 4.272 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nnc(C)n1[C@H]1CCC[C@@H](C)C1 535337790 WOWWSRQHCSDMED-HIFRSBDPSA-N 433.534 4.375 5 20 IIBD CCSCc1ccnc(NS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1 535621937 SQQKGUPYGDEMSN-UHFFFAOYSA-N 446.348 4.115 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CCN1Cc1ccccc1 539489092 VPARHBBJSUDROV-NQIIRXRSSA-N 430.508 4.440 5 20 IIBD Cc1cc(NC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)ccc1[N+](=O)[O-] 539646898 LSCXZDBJIFMBDS-UHFFFAOYSA-N 426.479 4.042 5 20 IIBD Cc1nnc(N(CCC(C)C)C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c2ccccc12 540103429 KVNPYTQCXRCQIS-UHFFFAOYSA-N 445.483 4.120 5 20 IIBD C[C@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(NC(=O)c2ccncc2)cc1 540398339 UXAPBUCTIVIWNK-HNNXBMFYSA-N 444.451 4.143 5 20 IIBD CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F 541583834 XNKMTHSVHPKMBG-GFCCVEGCSA-N 441.381 4.343 5 20 IIBD Cc1cc(C)n(-c2ccccc2CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])n1 542227841 YRBYWAYXOJMEGS-UHFFFAOYSA-N 430.917 4.459 5 20 IIBD CCOC(=O)c1cc(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)ccc1Sc1ccccc1 544250595 OWDFKIZKPQCAKR-UHFFFAOYSA-N 440.481 4.217 5 20 IIBD O=c1c2ccccc2c(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)nn1Cc1ccccc1 545551901 OBDSHZDMYNAPLH-UHFFFAOYSA-N 425.404 4.070 5 20 IIBD COc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3C)no2)c(I)c1 545691030 JTLXXNPUZDKMOE-UHFFFAOYSA-N 437.193 4.233 5 20 IIBD O=c1c(-c2nc(-c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3)no2)cnc2ccccn12 547189620 OONUKVDNESUNCB-UHFFFAOYSA-N 427.376 4.112 5 20 IIBD O=[N+]([O-])c1ccccc1NCc1nc(Cc2c[nH]c3cc(Br)ccc23)no1 547248680 VGXNPHTYIJQSDY-UHFFFAOYSA-N 428.246 4.425 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1OCC(=O)[C@@H]1CCOC1 547250667 YSJUMOLNANCDAH-LLVKDONJSA-N 439.251 4.138 5 20 IIBD CS(=O)(=O)C[C@H]1CCCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 552274368 QFURWBRVFGAWFS-INIZCTEOSA-N 438.933 4.297 5 20 IIBD CCO[C@@H]1C[C@@H](NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)[C@@]12CCCO2 555007591 BVOYEHYBDJJJGF-SJBKTWHCSA-N 427.457 4.235 5 20 IIBD O=[N+]([O-])c1cc2c(NCc3ccc(Cl)cc3I)ncnc2s1 557426326 XVOPXPCOQCHBCJ-UHFFFAOYSA-N 446.657 4.470 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N[C@H](C)c2c(F)cncc2F)c([N+](=O)[O-])c1 557754335 WRUPUSWKHMQTAE-GFCCVEGCSA-N 441.390 4.459 5 20 IIBD C[C@H]1CN(c2cccc(F)c2)CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 557915659 VPJLGEUPFPFVAF-AWEZNQCLSA-N 426.473 4.208 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 559143019 RXCPJZZSVSTHMT-OAHLLOKOSA-N 434.823 4.227 5 20 IIBD COC(=O)c1occc1CN(C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H](C)c1ccccn1 565415616 JYIDPUZUCODHCJ-JKSUJKDBSA-N 437.452 4.263 5 20 IIBD C[C@H](NCc1cc(I)cc([N+](=O)[O-])c1)c1ccc(-n2cccn2)cc1 569857981 MPLPXJFJYLIQCB-ZDUSSCGKSA-N 448.264 4.236 5 20 IIBD CC[C@@H](C)N[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccco1 572750508 AYTSGKSJCOTVOB-XCLFUZPHSA-N 439.462 4.412 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(CCc2ccccc2)n1C[C@H]1CCOC1 589678013 JNHYPELUNOOYFB-JOCHJYFZSA-N 449.555 4.423 5 20 IIBD CS(=O)(=O)c1ccc(F)c(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c1 592398867 BNDBOURCXYMJOO-UHFFFAOYSA-N 429.429 4.133 5 20 IIBD Cc1cccc(CN(CC(C)C)C(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)c1 603529603 AJEGCKCJQOPKFJ-UHFFFAOYSA-N 434.496 4.056 5 20 IIBD O=C(NCc1cccc(COCc2ccco2)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 603612794 RXFGLPDFDMSXJT-UHFFFAOYSA-N 449.507 4.437 5 20 IIBD CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 604096634 PSRRETWFQNPZJO-HXUWFJFHSA-N 428.460 4.323 5 20 IIBD CC[C@@H](C)NC(=O)c1ccc(NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)cc1 604430104 UUDIFNRAHAVAOH-CQSZACIVSA-N 431.514 4.004 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)NCc1cn(-c2ccccc2)nc1-c1ccccc1 604476216 BSTDVPFMUHWFGW-UHFFFAOYSA-N 427.464 4.447 5 20 IIBD CC(C)OC(=O)c1ccc(Cl)c(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1 608897439 AWKJZEZKRFLAPD-UHFFFAOYSA-N 428.832 4.251 5 20 IIBD COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 609012442 WXLVDCYVDOGXBI-NRFANRHFSA-N 438.455 4.394 5 20 IIBD COCCNC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 609061251 PCJQEEBEBYOQTG-UHFFFAOYSA-N 433.892 4.174 5 20 IIBD C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCc2[nH]c3c(Br)cccc3c2C1 609196960 IFLCJZUDXGMCAE-LBPRGKRZSA-N 443.301 4.224 5 20 IIBD Cc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1S(=O)(=O)Nc1ccccc1 609446853 FPKJSPMCRXLLKQ-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD O=C([C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)N1CCc2c1cccc2[N+](=O)[O-] 609974029 ZQBDDJJZENPWQT-SFHVURJKSA-N 434.279 4.096 5 20 IIBD Cc1ccc(NCCCNC(=O)Nc2ccccc2CN2CCSCC2)c([N+](=O)[O-])c1 610094925 SMSXTUROHQDAQN-UHFFFAOYSA-N 443.573 4.076 5 20 IIBD O=C(NCCCOC1CCOCC1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 610181545 CEHSAZMEIDWDKB-UHFFFAOYSA-N 434.876 4.356 5 20 IIBD CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 610960520 JEHRNICWZFZGRX-IBGZPJMESA-N 441.450 4.257 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(OCc2ccccc2F)CC1 611262074 RFNKFRPHTGEBQN-AWEZNQCLSA-N 436.867 4.362 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1cccc(Cl)c1SC(F)F 726291276 VCZWOUFDVFYOKM-UHFFFAOYSA-N 429.832 4.160 5 20 IIBD CC(C)(C)OC(=O)N1CCc2cc(NC(=O)CCOc3ccccc3[N+](=O)[O-])ccc21 726509969 XLSQVIQAXMUAJY-UHFFFAOYSA-N 427.457 4.300 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)[C@H](OC2CCCC2)c2ccccc2)cccc1[N+](=O)[O-] 727015639 BEYJSPCSXOOCSE-IIBYNOLFSA-N 426.469 4.474 5 20 IIBD CC(C)OC(=O)c1ccc(Cl)c(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 727223782 OGUKYHGJJTUWKX-UHFFFAOYSA-N 446.891 4.168 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCC(=O)N(C)[C@@H]2CCCc3ccccc32)cc1SC 728467086 ATNOHGQQOMLABG-QGZVFWFLSA-N 444.509 4.018 5 20 IIBD O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccc(CN2CCCCC2)cc1 729192273 JYRACYWUPJPSCT-UHFFFAOYSA-N 438.528 4.049 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)c([N+](=O)[O-])c1 731273119 YHFYENCZBZSRBW-WOJBJXKFSA-N 434.448 4.432 5 20 IIBD O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1csc(-c2ccccc2Cl)n1 731516940 PFLWQWKEPVBHFO-QGZVFWFLSA-N 443.868 4.334 5 20 IIBD Cc1c(C(=O)Nc2c(N3CCCC3)cccc2N2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 731985831 YURSPXBISGTITQ-UHFFFAOYSA-N 439.472 4.264 5 20 IIBD Cc1nn(CCC(=O)O[C@@H](Cc2ccc(Br)cc2)C2CC2)c(C)c1[N+](=O)[O-] 732508504 IQAXQUVQOJAVNC-KRWDZBQOSA-N 436.306 4.125 5 20 IIBD CC(C)(Oc1cccc(Cl)c1)C(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 733051509 GPCWBQGSNKERIX-UHFFFAOYSA-N 433.892 4.260 5 20 IIBD COC(=O)NCc1ccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 735259094 FPYAIEMOQNHAMB-UHFFFAOYSA-N 443.403 4.200 5 20 IIBD CCOC(=O)N[C@@H]1CCCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 735367917 FDJSSHCOPAAVTJ-MRXNPFEDSA-N 428.445 4.130 5 20 IIBD Cn1c(C(=O)N(c2ccccc2F)C2CCN(C(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-] 741957663 NDHVJIQLIRSHCN-UHFFFAOYSA-N 446.479 4.119 5 20 IIBD CCOc1cc(CN(C)c2ccc([N+](=O)[O-])cc2N2CCOC2=O)ccc1OC(F)F 742391929 WQGHLHFSKHNIEO-UHFFFAOYSA-N 437.399 4.188 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 744353483 VRKCDQXBARFTDN-GOSISDBHSA-N 425.268 4.018 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 744420977 ADLITYFDJIVLHF-AWEZNQCLSA-N 439.428 4.157 5 20 IIBD C[C@@H](OC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(=O)Nc1cccc(Cl)c1Cl 744622799 AOQMJEHQAAKPGO-LLVKDONJSA-N 436.251 4.427 5 20 IIBD Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 745438422 BSDHVLISBVBGSL-UHFFFAOYSA-N 439.815 4.149 5 20 IIBD O=C(/C=C/c1ccc(I)o1)OCc1cc(Cl)ccc1[N+](=O)[O-] 746058370 IHWBWBQJNSLSDW-ZZXKWVIFSA-N 433.585 4.202 5 20 IIBD O=C(CCc1ccc(Br)cc1)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 748919381 BGQQCROUTCETOZ-UHFFFAOYSA-N 432.230 4.083 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)c1cc[nH]c1 750495159 GDCKFIZQOPGHLW-QGZVFWFLSA-N 444.241 4.222 5 20 IIBD Cc1cc(F)cc(C(=O)OCc2nc(-c3ccc(Br)s3)no2)c1[N+](=O)[O-] 752554540 NJZGTNGSXYISAB-UHFFFAOYSA-N 442.222 4.273 5 20 IIBD CO[C@@H](C)c1nc(CN2CCCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)cs1 753119628 SSZZIWUWGDQXSV-ZDUSSCGKSA-N 433.559 4.081 5 20 IIBD O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 754629225 CMZISMBNVXOAIO-AVRDEDQJSA-N 427.476 4.374 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])N(Cc1ccccc1)C[C@@H](O)c1cccs1 755763607 RVRQNRYQDXHGSW-HXUWFJFHSA-N 425.510 4.221 5 20 IIBD O=[N+]([O-])c1cccc(-c2ncn(CN3CCC[C@@H]3c3ccccc3Br)n2)c1 755923323 KNHGJPGXWBAUBP-GOSISDBHSA-N 428.290 4.410 5 20 IIBD C[C@@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1nc(-c2ccccc2)no1 756526653 KWFFRJBLNHTBMI-LLVKDONJSA-N 432.230 4.254 5 20 IIBD Cc1ccc(C(=O)CC(C)(C)CC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 759833334 AZDRZCCWXNKROG-UHFFFAOYSA-N 426.469 4.383 5 20 IIBD Cc1cc(-c2noc([C@H](C)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)n2)ccc1F 761049606 SGBBJYLZXNQJHX-AWEZNQCLSA-N 439.447 4.184 5 20 IIBD CCN(Cc1noc(CCOc2ccc(Cl)cc2[N+](=O)[O-])n1)C(=O)OC(C)(C)C 761938996 CCKWLBXTIZEUTQ-UHFFFAOYSA-N 426.857 4.010 5 20 IIBD Cc1cccc(OCCCc2noc(CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)c1C 761949632 QPQBSEZHOXRXPV-UHFFFAOYSA-N 426.429 4.300 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)N[C@H](c1ccccc1)c1cccs1 763723732 IUQYDQXHWVTVNV-LJQANCHMSA-N 430.869 4.372 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 767597492 OEQXWZDXSKFGFI-AWEZNQCLSA-N 436.486 4.257 5 20 IIBD COc1ccc(C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1C1CC1 769486606 BJUFMTIZXWDWKG-UHFFFAOYSA-N 438.358 4.295 5 20 IIBD Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)OC(=O)c1cc(Br)cc([N+](=O)[O-])c1 770157432 OGFFWIITORZRJM-QWHCGFSZSA-N 435.274 4.088 5 20 IIBD CC(C)(C)C(=O)NCc1ccc(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1 770331010 QAHXTYXILOKMBW-UHFFFAOYSA-N 434.290 4.272 5 20 IIBD O=C(Nc1cccc(C[S@@](=O)C2CCCCC2)c1)c1cc([N+](=O)[O-])c2nsnc2c1 771509798 LUDKDNWXHWSUCV-SSEXGKCCSA-N 444.538 4.433 5 20 IIBD CC[C@@H](NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@H](c1ccc(C)cc1)n1cncn1 773101341 BNWLFCHJZYAVKQ-DNQXCXABSA-N 434.544 4.121 5 20 IIBD CC(C)(C)OC(=O)CCCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 773786375 PKXDUMMUIIGWJP-UHFFFAOYSA-N 435.702 4.253 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCc2ncc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])cc2C1 777236046 OQBVUNRBOFIMGW-CYBMUJFWSA-N 446.891 4.278 5 20 IIBD CC(=O)Nc1cc(C(=O)O[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)cc(C(F)(F)F)c1 778794510 MEEKGHHIONVGOH-GOSISDBHSA-N 437.374 4.008 5 20 IIBD O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)OCc1ccc([N+](=O)[O-])c(F)c1 780004692 OWCLPXXZSSZMSX-UHFFFAOYSA-N 436.395 4.007 5 20 IIBD CC(C)[C@H](NC(=O)COC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccc(F)cc1 781266947 CZHIIUIOGQVPHP-DEOSSOPVSA-N 446.478 4.491 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1nc(-c2c(F)cccc2F)cs1 781613274 YBAFTJCSNMBWSS-UHFFFAOYSA-N 434.380 4.476 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCC[C@H](c2nc3ccccc3s2)C1 781932769 HNXKJOKBWFBEFT-HNNXBMFYSA-N 440.481 4.452 5 20 IIBD O=C(Nc1ccccc1C(=O)NCCOc1ccc([N+](=O)[O-])cc1)OCc1ccccc1 781968671 FOHFWXGJNWWINA-UHFFFAOYSA-N 435.436 4.152 5 20 IIBD CCOCN(C(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1c(C)cccc1CC 782008940 RELUOLUZHHBWNR-UHFFFAOYSA-N 434.876 4.303 5 20 IIBD CCCc1c(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cnn1-c1ccccc1 783088518 MPFILQUCGNXFIH-UHFFFAOYSA-N 434.500 4.087 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 784483289 ODZOVCVPGXUFAH-OAHLLOKOSA-N 437.418 4.440 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])c(F)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 784838048 KNIGAYHECXNVPA-UHFFFAOYSA-N 428.322 4.364 5 20 IIBD C[C@@H](OC(=O)c1ccnc(Oc2ccc(F)cc2F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 789045623 SCLSFHUAMJUPDD-GFCCVEGCSA-N 443.362 4.244 5 20 IIBD C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790953260 YPJMMHFQUHHCQF-RTYJCRPCSA-N 433.911 4.203 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CC[C@@]4(C)[C@@H](C3)C4(Cl)Cl)cc2)c(C)c1[N+](=O)[O-] 791201995 RRIPKWQYQVYCAF-APWZRJJASA-N 437.327 4.112 5 20 IIBD CC(C)n1ncc2c(C(=O)OCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc(C3CC3)nc21 791614611 ZXEGHERLXJMLCH-UHFFFAOYSA-N 425.401 4.063 5 20 IIBD COc1ccc(OC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 792116527 LJZLDAXXFGNXER-KPZWWZAWSA-N 439.251 4.035 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cc(C2CC2)cnc1Cl 792849943 XFFTZWKJFAOFJG-UHFFFAOYSA-N 428.798 4.381 5 20 IIBD C[C@H](OC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 796391352 VVBYENYOUFTSQH-TUKIKUTGSA-N 438.358 4.167 5 20 IIBD CC(C)(C(=O)OCC(=O)c1ccc(C(F)(F)F)nc1Cl)c1ccccc1[N+](=O)[O-] 796445112 KBZQWMAHKDMPHP-UHFFFAOYSA-N 430.766 4.366 5 20 IIBD Cc1ccc(C(=O)N(C)c2ccc(OC(=O)COc3ccc([N+](=O)[O-])c(C)c3)cc2)cc1 797422515 ZPXNUZCRVIQRIC-UHFFFAOYSA-N 434.448 4.473 5 20 IIBD O=C(OCc1nc2ccc(Br)cc2o1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 803091038 DXXLYVCKQHJOGE-UHFFFAOYSA-N 443.213 4.041 5 20 IIBD Cc1oc(C(C)C)nc1C(=O)O[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 803914498 IEGPITKJDGQLNU-GFCCVEGCSA-N 444.469 4.322 5 20 IIBD CC(=O)c1oc2cc(C)ccc2c1CC(=O)O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 805896017 AKJVYPZOJXOGOW-ZWKOTPCHSA-N 425.441 4.318 5 20 IIBD O=[N+]([O-])c1ccccc1Cc1noc(-c2ccccc2OCc2cn3ccccc3n2)n1 809240744 XSFJPULAEMDIDI-UHFFFAOYSA-N 427.420 4.462 5 20 IIBD Cc1noc(-c2cc(Cl)ccc2OS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)n1 809833935 RBKANOCJBBUDDU-UHFFFAOYSA-N 448.215 4.167 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]1/C=C/c1ccccc1 810383114 YNQKCVXEEABANY-XAVKZTDYSA-N 444.285 4.000 5 20 IIBD O=C(Cc1csc(NC(=O)c2ccccc2F)n1)Nc1cccc([N+](=O)[O-])c1Cl 813242911 YAVWMLHQWWLKSC-UHFFFAOYSA-N 434.836 4.277 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 814141201 NXQOETGHPQGNFW-IEBWSBKVSA-N 431.533 4.069 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc([N+](=O)[O-])c1 814432611 RDUBVTVAEUPIIO-ZWKOTPCHSA-N 431.533 4.403 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H](C(F)(F)F)OC(C)(C)C2)CC1 816995623 YKPMOWHJRMEJSV-KRWDZBQOSA-N 429.439 4.013 5 20 IIBD O=C(COC(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)Nc1ccccc1[N+](=O)[O-] 825211244 BFXMJIIKAAAGLZ-YVMONPNESA-N 428.750 4.462 5 20 IIBD C[C@H]1CCC[C@@H](C)N1NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 864847716 BJEJEVRYYJEROO-OKILXGFUSA-N 428.455 4.124 5 20 IIBD CCC1CCC(N(C)C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 914493038 JYNNCWUKEDBAIC-UHFFFAOYSA-N 446.525 4.403 5 20 IIBD CN(Cc1cc(Br)ccc1F)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 915192437 BDGMJLMRRUFWSV-UHFFFAOYSA-N 436.281 4.369 5 20 IIBD CCn1c(/C(Cl)=C\c2csc([N+](=O)[O-])c2)nc2cc(S(=O)(=O)N(C)C)ccc21 917143215 IPAOQTLZWUQTFD-NTUHNPAUSA-N 440.934 4.013 5 20 IIBD O=C(OCC(=O)N1CCc2sccc2C1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 917257984 ZOUDQHJINOVVJO-UHFFFAOYSA-N 438.461 4.190 5 20 IIBD C[C@@H]1CCN(C(=O)COC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c2ccccc2S1 917331514 QWXCIQAGTXASSE-CYBMUJFWSA-N 425.466 4.150 5 20 IIBD CCCCOc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1OC 918451021 XJQVDUVFTQZWDC-ZDUSSCGKSA-N 449.891 4.252 5 20 IIBD Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c(Cl)c1 919225817 BGYVGHRMTHGWDV-LBPRGKRZSA-N 435.820 4.266 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)CCc2ccc(Br)cc2)cc1[N+](=O)[O-] 919759719 IWGHJEGWNFIJLY-NSHDSACASA-N 436.262 4.325 5 20 IIBD C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCO[C@@H](c2ccc(Cl)s2)C1 1116328490 VOZJWNPFFZGAHO-IINYFYTJSA-N 430.313 4.364 5 20 IIBD COc1cc([N+](=O)[O-])c(-c2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)cc1SC 1117196690 FATHXNDHGWHHGB-UHFFFAOYSA-N 433.442 4.068 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 1253329375 IQYXGHUBKKPPAV-VLIAUNLRSA-N 433.468 4.154 5 20 IIBD O=C(NCCCOc1ncc(C(F)(F)F)cc1Cl)N1Cc2ccc([N+](=O)[O-])cc2C1 1253672099 VVWGBNFCEUEICR-UHFFFAOYSA-N 444.797 4.156 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)Oc1ccc(NC(=O)c2ccc(F)cc2)cc1 1326232181 VQZCUJJFAMGSHE-UHFFFAOYSA-N 428.347 4.110 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccsc1 1794464295 UMYPITHXJNTAOK-CCVOUXLPSA-N 437.521 4.021 5 20 IIBD CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C2)c1ccccc1 1795456557 HLXUIOVHNWVRTR-URCRHWKBSA-N 447.535 4.440 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2ccoc12 1801098526 HKSVTHCXIJSTFB-ACDBMABISA-N 447.491 4.226 5 20 IIBD Cc1c(F)cccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823924942 NAEPWAYXGSCIKR-LJQANCHMSA-N 443.475 4.182 5 20 IIBD C/C=C/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830498089 SDNFGZVZRKMQLN-AXVWPGNMSA-N 429.492 4.100 5 20 IIBD CC[C@H](C)CC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc(F)ccc2[N+](=O)[O-])CC1 1832884584 BAIINPPBBSUAJA-UWJYYQICSA-N 447.551 4.332 5 20 IIBD Cc1ccc(CC(=O)N2CCCC23CN(C(=O)[C@H](c2ccccc2)C(C)C)C3)cc1[N+](=O)[O-] 1845204510 YSIFPJWFWPTOGQ-DEOSSOPVSA-N 449.551 4.089 5 20 IIBD Cc1c(C(=O)N2CCCC23CN(C(=O)c2ccc(Cl)cc2)C3)cc(Cl)cc1[N+](=O)[O-] 1845499906 WQOFQCGKCLLLCP-UHFFFAOYSA-N 448.306 4.341 5 20 IIBD CN(C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 11977533 AEBAYSZJYZJEJH-UHFFFAOYSA-N 435.465 4.191 5 20 IIBD CC(C)Cn1c(SCc2ccc(C(N)=O)cc2[N+](=O)[O-])nc2ccc(Cl)cc2c1=O 16116195 YXDLIXYHFWQLTN-UHFFFAOYSA-N 446.916 4.005 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](Sc1nnnn1C1CC1)c1ccccc1 16374674 UBBLNQNLGKUHLL-MRXNPFEDSA-N 430.877 4.042 5 20 IIBD C[C@H](OC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 18026462 VSONZLILONEDOV-ZDUSSCGKSA-N 429.429 4.126 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)N[C@H](c1ccc(C)cc1)c1cccs1 19285241 PGBAJLHWMCRVDM-OAQYLSRUSA-N 440.477 4.036 5 20 IIBD CCOC(=O)c1nc(N(CCc2ccccc2)C(=O)c2ccccc2[N+](=O)[O-])sc1C 21825701 CXBINFLDNBIDBN-UHFFFAOYSA-N 439.493 4.426 5 20 IIBD O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 58144252 SBPRICOGPLLSCO-UHFFFAOYSA-N 436.449 4.129 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)cc([N+](=O)[O-])c1 59851796 YOORCWXPTFFRRC-UHFFFAOYSA-N 439.468 4.038 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1 65865039 IAMBBBHKVIENSF-KDURUIRLSA-N 425.529 4.255 5 20 IIBD COc1cc([N+](=O)[O-])ccc1OCC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1 72068087 BGEISOPAJSXBRA-IBGZPJMESA-N 435.436 4.262 5 20 IIBD CN(Cc1ccccc1)c1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 109144164 ZELBRFHXVKKORS-UHFFFAOYSA-N 446.507 4.320 5 20 IIBD CN(Cc1ccccc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)C(=O)OC(C)(C)C 109306176 OGQREJBNJFHMGY-UHFFFAOYSA-N 425.445 4.090 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)c2oc3ccccc3c2C)ccc1[N+](=O)[O-] 110321471 PQKBGTPEVVIUEV-OXJNMPFZSA-N 435.480 4.440 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(OC3CCCC3)cc2)ccc1[N+](=O)[O-] 110321962 AFKSVFJJUCXCII-QFIPXVFZSA-N 437.496 4.468 5 20 IIBD Cc1c(C(=O)NC(C)(c2ccccc2)c2ccccc2)nnn1-c1cccc([N+](=O)[O-])c1 110973487 ISIXAIJUVGNBDP-UHFFFAOYSA-N 427.464 4.177 5 20 IIBD CN(C(=O)c1ccc(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1Cl)C1CCCCC1 117572073 OGUNAGOZTLVWKX-UHFFFAOYSA-N 444.919 4.364 5 20 IIBD C[C@H](OC(=O)/C=C\c1ccc2ccccc2n1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 210944777 WFJRLUQTFXXHPZ-ZWXCPPHNSA-N 425.828 4.380 5 20 IIBD O=[N+]([O-])c1cncc(Br)c1N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 301940527 UIQLUGYWQMQHEZ-SJLPKXTDSA-N 431.334 4.243 5 20 IIBD CC(C)N1CCC(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 302838941 ULNLLUCXTYQNAH-UHFFFAOYSA-N 430.936 4.463 5 20 IIBD CCCN(CCc1cccc(F)c1)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 303591234 OUFLMOIQYJTCGK-UHFFFAOYSA-N 443.504 4.109 5 20 IIBD CCOC[C@@H]1CCCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 303594395 MXEBCBMAJYBJQA-LJQANCHMSA-N 448.523 4.265 5 20 IIBD O=C(Nc1cc(I)ccc1Br)c1ccc([N+](=O)[O-])cc1 380445453 ORAPMFAFRJPYLP-UHFFFAOYSA-N 447.026 4.214 5 20 IIBD C[C@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])c1cccc(NC(=O)c2ccccc2)c1 410312071 MVMURTINCAFJLP-KRWDZBQOSA-N 447.495 4.319 5 20 IIBD CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 427463189 CWCVFVYCUPRFKG-UHFFFAOYSA-N 436.468 4.353 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C 428795908 UESFZNYXNUVPEG-RDTXWAMCSA-N 437.418 4.323 5 20 IIBD O=C(NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 429167127 YFDAILQTSNHPAW-VWNXMTODSA-N 441.503 4.182 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@H](C)c2cccc(Cl)c2)cc(Br)cc1[N+](=O)[O-] 430332408 OAMUHFDQQBLKBH-SNVBAGLBSA-N 440.681 4.135 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)c1cc2n(n1)CCCO2 431848125 YAJKMWISCYQKIO-UHFFFAOYSA-N 446.822 4.089 5 20 IIBD C[C@H](NC(=O)N1CCN(C(=O)c2cc3ccccc3s2)CC1)c1cccc([N+](=O)[O-])c1 434133034 BTZNHFKFFZVYBE-HNNXBMFYSA-N 438.509 4.038 5 20 IIBD CS(=O)(=O)c1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)c1 435445624 FVNWGXADYWYCJK-UHFFFAOYSA-N 434.520 4.463 5 20 IIBD O=C1CSc2ccc(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)cc2N1 435838736 ZNXOIWFDFFKZEL-UHFFFAOYSA-N 437.427 4.256 5 20 IIBD C[C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCN1Cc1ccccc1 437815761 ACUAWAAUWRRKIV-HNNXBMFYSA-N 434.443 4.325 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2csc([C@H](C)OC)n2)cc1 438975114 DEGYEXILJDBJMY-ZDUSSCGKSA-N 443.481 4.490 5 20 IIBD O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCn2c(nnc2C(F)(F)F)C1 441067473 RAMADVGANSRHBI-UHFFFAOYSA-N 449.414 4.012 5 20 IIBD C[C@@H](c1ccc(Cl)cc1)N1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 441355793 KYCYRBXTSZNVGT-HNNXBMFYSA-N 427.892 4.177 5 20 IIBD COc1ccc(C2(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CCOCC2)cc1F 443862398 USIBOTGFQONTGO-UHFFFAOYSA-N 430.457 4.393 5 20 IIBD O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 444290127 QMNRXDSSPZTGNI-NRFANRHFSA-N 449.869 4.009 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N[C@@H](Cc1ccccc1)c1ccccc1F 445139904 RVVYYSBQZQIYKX-FQEVSTJZSA-N 433.443 4.393 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 447803958 CNBRJBIGHRHBOJ-KRWDZBQOSA-N 440.475 4.091 5 20 IIBD C[C@]1(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)OCCc2sccc21 460976988 FDYSLMFAHGKEEG-HSZRJFAPSA-N 437.521 4.486 5 20 IIBD O=C1[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)CCN1c1cccc(OC(F)(F)F)c1 462839265 IPZGRRFKGWTRHY-ZDUSSCGKSA-N 447.316 4.312 5 20 IIBD CCCc1c(NC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cnn1-c1cccc(F)c1 463620817 DNRIBVFRSDLAKK-UHFFFAOYSA-N 439.447 4.066 5 20 IIBD C[C@H](CC(F)(F)F)NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 464272035 AITIGSBONLEIOF-CQSZACIVSA-N 432.402 4.447 5 20 IIBD O=C(Nc1ccccc1S(=O)(=O)C1CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 464572819 SZZZOJGYBAOGTN-UHFFFAOYSA-N 443.525 4.164 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(N)=O)cc1OCC(F)F 464714899 WXXWSJODTFXXAJ-UHFFFAOYSA-N 439.440 4.092 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ccc(Oc2ccc(Cl)cn2)cc1 465155966 JYCKHIASDYAWGM-UHFFFAOYSA-N 441.827 4.388 5 20 IIBD C[C@]1(CNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CCO[C@H]1C1CC1 466830084 CCSKBOIBDBAGHR-PKOBYXMFSA-N 439.299 4.022 5 20 IIBD Cc1ccc(-c2csc(NC(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C(F)(F)F)n2)cc1[N+](=O)[O-] 467848850 FBYCWOYUXMYIHC-KBXIAJHMSA-N 427.404 4.321 5 20 IIBD O=C(C[C@@H]1CCCN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccco1 468247039 MUGUTZAJBPTCLM-AWEZNQCLSA-N 439.390 4.273 5 20 IIBD CCO[C@H](CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1)C(C)C 471172604 KTIREZFNOBSLEO-HXUWFJFHSA-N 449.529 4.094 5 20 IIBD O=c1c(Cl)c(NCCc2ccccc2OC(F)F)cnn1-c1ccc([N+](=O)[O-])cc1 472439860 VBYYMYGKFXKNND-UHFFFAOYSA-N 436.802 4.050 5 20 IIBD Cc1cc(NC(=O)c2ccc3nc(C(F)(F)F)cn3c2)n(-c2ccc([N+](=O)[O-])cc2)n1 472521667 PXIMRQNVNCNTFS-UHFFFAOYSA-N 430.346 4.008 5 20 IIBD CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 472720590 HUMAMKGGCBOWJF-UHFFFAOYSA-N 428.247 4.416 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCN(c2cncc3ccccc23)CC1 473244883 RVRRYMRIQKCRTL-UHFFFAOYSA-N 448.526 4.052 5 20 IIBD Cc1c(Cl)cc(NC(=O)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1Cl 477906184 HKVKSKPKIQIXDG-UHFFFAOYSA-N 430.675 4.161 5 20 IIBD O=C(Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 478055440 UVCWMMMKPINXIA-UHFFFAOYSA-N 434.496 4.137 5 20 IIBD O=C(Nc1ccc2c(c1)CCC(=O)N2CC1CC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 478056005 GTOZRFPOXQZMAY-UHFFFAOYSA-N 448.523 4.139 5 20 IIBD O=C(N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1c[nH]c2cccc([N+](=O)[O-])c12 478487936 IOPXBQYBMOYYHH-AWEZNQCLSA-N 427.766 4.212 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H](OC)c1ccccc1Cl 479778616 BLAWCZPMHHIBNW-BFUOFWGJSA-N 438.933 4.493 5 20 IIBD O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCC(CO)(c2ccccc2)CC1 479844112 YFTONSBBXXZLRB-UHFFFAOYSA-N 445.519 4.373 5 20 IIBD C[C@H]1CCSCCN1C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 482944422 FXWRRIMYMSHRBO-ZDUSSCGKSA-N 431.480 4.184 5 20 IIBD Cc1c(CNC(=O)C(=O)Nc2cccc(COC3CCCCC3)c2)cccc1[N+](=O)[O-] 483806662 LHIISABLALHDFG-UHFFFAOYSA-N 425.485 4.007 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(c2cc(Cl)ccc2OC)C1 485924611 ZSFSDASAXPINMZ-AWEZNQCLSA-N 435.933 4.378 5 20 IIBD O=C(Cn1c(C2CCCCC2)nc2ccccc21)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 487006589 OUUABURIILVKKZ-UHFFFAOYSA-N 436.516 4.052 5 20 IIBD O=C(N[C@H]1CCN(c2cccc(Br)c2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 487099907 WCPMLKVOEFWFIH-AWEZNQCLSA-N 430.258 4.112 5 20 IIBD COc1ccc(CSCC(=O)Nc2cc(-c3cc(F)cc(F)c3)nn2C)cc1[N+](=O)[O-] 487497390 JAFJZNZGTSVNAO-UHFFFAOYSA-N 448.451 4.154 5 20 IIBD C[C@H](Sc1nnc(-c2ccccn2)n1-c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 489411832 QIDSFJWZRMKWEW-HNNXBMFYSA-N 446.492 4.357 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2ccccc2C)OC[C@@H]1C 490009638 KUOOAWZLJVRWQB-JXFKEZNVSA-N 430.526 4.244 5 20 IIBD O=C(N[C@H](c1c[nH]c2ccccc12)C(F)(F)F)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 490765226 WNRXJRBWHSOBBI-GOSISDBHSA-N 434.374 4.152 5 20 IIBD O=C(NCC1(Cc2ccccc2)CCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 495967077 MGTWHTPXLTWCKQ-UHFFFAOYSA-N 447.438 4.054 5 20 IIBD Cc1ccc(NCCCNC(=O)N2CCC3(CC2)OCCc2ccsc23)c([N+](=O)[O-])c1 497502753 HAJNRKFZSYSLRW-UHFFFAOYSA-N 444.557 4.040 5 20 IIBD O=[N+]([O-])c1ccc([C@H]2SCCN2S(=O)(=O)c2csc(-c3ccccc3)n2)cc1 497992874 JBHGNYRQBYMXJP-GOSISDBHSA-N 433.536 4.155 5 20 IIBD O=C(CN[C@@H](c1ccccc1)C(F)(F)F)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 498131227 FZMRRHUYWHLEDG-ROUUACIJSA-N 425.432 4.062 5 20 IIBD CC(=O)Nc1ccc(-c2noc(CCNc3ccccc3[N+](=O)[O-])n2)cc1C(F)(F)F 499622860 CDYKONIRNNLRQJ-UHFFFAOYSA-N 435.362 4.277 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CCSc3ccc(Cl)cc32)cc1[N+](=O)[O-] 501686815 IKKCGWRQNCWGRX-UHFFFAOYSA-N 447.929 4.280 5 20 IIBD CCOc1ccc(C(=O)Nc2ccc(Sc3nncn3C)c(Cl)c2)cc1[N+](=O)[O-] 502084566 LROOWTIOSZGRQE-UHFFFAOYSA-N 433.877 4.179 5 20 IIBD COc1ccc(CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC2CC2)c(OC)c1 504583211 UJENRSDNSFAHSQ-UHFFFAOYSA-N 436.512 4.425 5 20 IIBD C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 506034579 HMPYXZRMLJDZLX-ZDUSSCGKSA-N 449.916 4.349 5 20 IIBD CC(C)CCOc1ccccc1CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] 507041799 XDRZCNJMRDHOLC-UHFFFAOYSA-N 427.501 4.104 5 20 IIBD COC(=O)c1cc(C(=O)N[C@@H](C)c2sc(-c3ccccc3)nc2C)cc([N+](=O)[O-])c1 507543187 ALKQNDXTUDWSMU-LBPRGKRZSA-N 425.466 4.304 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3nc4ccc(Cl)cn4n3)cc2[N+](=O)[O-])n1 508319966 ZOIJCCNMYOIOON-UHFFFAOYSA-N 446.901 4.459 5 20 IIBD O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H]1c1ccc(Br)c(F)c1 510062338 DWXBVMSKJNUHGX-MRXNPFEDSA-N 433.237 4.350 5 20 IIBD C[C@H]1C[C@@H](CCNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CN1Cc1ccccc1 510102968 TWSKNHWPAFXPHR-PZJWPPBQSA-N 436.556 4.226 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C)cc2OC[C@H]2CCCO2)cc1OC 511748769 TZUBYRAJUFANSS-OAHLLOKOSA-N 430.457 4.121 5 20 IIBD Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 512095304 OYAVDPVSCHSOSY-SFHVURJKSA-N 430.936 4.267 5 20 IIBD COc1ccc(CNC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1OC 512520172 LRLOJAXAMHNATF-IYBDPMFKSA-N 427.501 4.024 5 20 IIBD Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc1 512541544 VOLUCFXZPPFXBK-ROUUACIJSA-N 438.528 4.096 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N[C@H]3CCC[C@H](C(=O)N(C)C)C3)cc2[N+](=O)[O-])cc1 513360154 YVORIDPHJAVUPQ-ROUUACIJSA-N 441.553 4.431 5 20 IIBD C[C@@H](Sc1nnc(-c2ccncc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 514292265 VRIVQFVZXLWFFO-SECBINFHSA-N 439.375 4.178 5 20 IIBD CCCOc1cc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)c([N+](=O)[O-])cc1OCCC 514525339 OJXKAYHEUNEKJX-HNNXBMFYSA-N 445.447 4.376 5 20 IIBD Cc1nc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)ccc1-c1ccccc1 515183938 VXSFDYYDWLEUTE-KRWDZBQOSA-N 436.493 4.270 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CCC(c2nc3ccccc3s2)CC1 517642584 DAJCRSRFMLJKCH-UHFFFAOYSA-N 434.477 4.478 5 20 IIBD COc1cc(C(=O)Nc2c(F)cccc2N2CCCC2)c([N+](=O)[O-])cc1OC(F)F 518786959 IZRJBTZARNXXCH-UHFFFAOYSA-N 425.363 4.196 5 20 IIBD O=C(Nc1ccnn1Cc1ccc(Cl)c(F)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 519504504 RQJVKSZFKJMFOZ-UHFFFAOYSA-N 440.822 4.070 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N=c1nc(-c2ccccc2Cl)[nH]s1 521083168 XXYPKUMSDXLYPO-UHFFFAOYSA-N 446.919 4.387 5 20 IIBD COC[C@@H](C)CNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 522767912 GXKQCGSUBMLFMC-LBPRGKRZSA-N 425.844 4.261 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CSC[C@H]2C(=O)N(C)C(C)C)cc1[N+](=O)[O-] 522788781 DUJGRVLDSPXBFF-KRWDZBQOSA-N 439.603 4.115 5 20 IIBD COc1cc(OCC(=O)N2CCCN(Cc3ccccc3)c3ccccc32)ccc1[N+](=O)[O-] 523148125 VZJCSIOUSVWUSK-UHFFFAOYSA-N 447.491 4.426 5 20 IIBD COc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1NC(=O)C1CCCCC1 523829535 NUPMNVAQUKAIHB-UHFFFAOYSA-N 430.436 4.096 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(C(=O)NCc2ccccc2F)cc1 524554870 GVMIGNYPHUCCQJ-UHFFFAOYSA-N 441.846 4.499 5 20 IIBD COc1cc(C(=O)NCCN2CC[C@@H](C)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 524776577 XWZHTNWLXOONFQ-CQSZACIVSA-N 433.892 4.121 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2ccc(-c3ccc(F)cc3)s2)CC1 525380961 JJZUAIVWOFWLBH-UHFFFAOYSA-N 439.468 4.061 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1nc(-c2ccc(Br)cc2)cs1 531669572 SQIOPGFQVLPDGT-JTQLQIEISA-N 435.303 4.310 5 20 IIBD Cc1nc2c(s1)[C@H](N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)CCC2 533523744 SPEAPEKPSGGTMX-OAHLLOKOSA-N 439.335 4.070 5 20 IIBD CC[C@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccc(C)cc1)n1cncn1 534456317 ZDHKJPAIOHEDHG-ORYQWCPZSA-N 439.541 4.160 5 20 IIBD CCOc1cc(NC(=O)c2cc(OC)c(Br)s2)c([N+](=O)[O-])cc1OCC 535474341 HNOZHZJDXQBDTO-UHFFFAOYSA-N 445.291 4.477 5 20 IIBD C[C@@H](C(=O)Nc1cccc(Cl)c1)[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 536304442 ARGYPFBEFVPDME-WUTCKBNWSA-N 433.873 4.179 5 20 IIBD COc1cc(NC(=O)CSc2ccccc2[N+](=O)[O-])cc(OC)c1Br 542199284 LZJHELXDFXJJBI-UHFFFAOYSA-N 427.276 4.105 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 542228276 NHKZVGABDAYGON-UHFFFAOYSA-N 438.311 4.061 5 20 IIBD Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NCc1c([N+](=O)[O-])ncn1C 542575652 PLTCZHBWLYGKBF-JTQLQIEISA-N 436.335 4.374 5 20 IIBD C[C@@H](c1ccccc1C(F)(F)F)[C@@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 544453454 BQBHQQTZNYYZSV-ZIAGYGMSSA-N 430.448 4.169 5 20 IIBD O=C(CC1CCCC1)NC1CCC(c2nc(CCNc3ccccc3[N+](=O)[O-])no2)CC1 545669968 XZPWZCRYYXHTQG-UHFFFAOYSA-N 441.532 4.355 5 20 IIBD NC(=O)c1ccc(SCc2nc(Cc3c[nH]c4cc(Cl)ccc34)no2)c([N+](=O)[O-])c1 545683735 RJWYLEUQRXBJRX-UHFFFAOYSA-N 443.872 4.095 5 20 IIBD COc1cccc(CCc2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)c1OC 545762205 IOYRGZBXHVCFMB-UHFFFAOYSA-N 448.273 4.134 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F 546070922 MRJLWTCNSPHGOK-DOTOQJQBSA-N 428.432 4.369 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCOC[C@H]2[C@@H]2CCCCC2=O)cc1[N+](=O)[O-] 546837329 FJIYBPWWEMSHEK-HKUYNNGSSA-N 434.558 4.333 5 20 IIBD COc1cc(Cc2noc(-c3ccc(Oc4ccc(C(N)=O)cc4)cc3)n2)ccc1[N+](=O)[O-] 547196662 YMNHXEIWXHQENB-UHFFFAOYSA-N 446.419 4.135 5 20 IIBD CC(=O)NCCN(Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C1CCSCC1 549451933 JOPYUUANRANWFZ-UHFFFAOYSA-N 447.532 4.360 5 20 IIBD C[C@H]1CN(c2cccc(Cl)c2)CCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 552440345 YMHRBMVZUJZPMM-KRWDZBQOSA-N 442.947 4.202 5 20 IIBD C[C@@H](c1ccccc1)[C@H](NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)C(N)=O 553089017 VXAUYWSQZOUKIZ-BTYIYWSLSA-N 435.505 4.133 5 20 IIBD CCCOc1cc(NC(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@@H]4OC)c([N+](=O)[O-])cc1OCCC 554359425 NNLZCLVPUXHCBL-LZISQBTHSA-N 433.505 4.060 5 20 IIBD CCc1onc(-c2ccccc2)c1-c1nc(Cc2cc(OC)cc(OC)c2[N+](=O)[O-])no1 554831814 BVMBAUGKTKBGGG-UHFFFAOYSA-N 436.424 4.470 5 20 IIBD CCC[C@]1(CO)CCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 558183274 XQDQSBORMCULSJ-IRLDBZIGSA-N 431.920 4.413 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3c(ccn3CC(=O)N(CC)CC)c2)c1 558806474 KHNMIXHPZDPLDC-UHFFFAOYSA-N 438.484 4.069 5 20 IIBD CC(C)[C@H](CNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(Cl)cc1 560786981 LECDGPKRHYCCSA-HNNXBMFYSA-N 438.311 4.187 5 20 IIBD COc1cc(CN2CCn3c(C4CCCC4)nnc3[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F 563906288 MMPVCLACLDWDKX-LBPRGKRZSA-N 437.447 4.031 5 20 IIBD COc1cc(CN2CCC[C@@H]3CN(C)CC[C@H]32)ccc1OCc1ccc([N+](=O)[O-])cc1 570485852 LGDHDAUZUWCCQO-IFMALSPDSA-N 425.529 4.099 5 20 IIBD COc1ccc(NC(=O)CCN[C@@H](C)c2nc(-c3ccccc3)cs2)c([N+](=O)[O-])c1 572525427 FLJGRCDWAHDRTC-AWEZNQCLSA-N 426.498 4.406 5 20 IIBD CCc1cc(N2CCn3c(C4CCCC4)nnc3[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 584652727 PZGIBOQEPVHASK-OAHLLOKOSA-N 433.516 4.445 5 20 IIBD O=C(N[C@H](c1ccccc1F)C1CCCC1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 589007570 OMWJWTPIIXTVEH-QFIPXVFZSA-N 439.487 4.273 5 20 IIBD C[C@H]1Sc2ccc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)cc2NC1=O 601908642 MVEMKDMVDJOJTC-SNVBAGLBSA-N 426.479 4.403 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@H]3CCCc4nc(O)ccc43)cc2[N+](=O)[O-])n1 603215541 MWSPHDAPKPWWQF-HNNXBMFYSA-N 442.522 4.419 5 20 IIBD O=C(c1ccc(Cl)c(I)c1)N1CCc2cc([N+](=O)[O-])ccc21 603636896 FIAHAAINUNAXJV-UHFFFAOYSA-N 428.613 4.056 5 20 IIBD COc1ccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)cc1OC(F)F 603742474 XYNYTOSUCYBJLO-UHFFFAOYSA-N 434.317 4.410 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 603784698 IHBKDQBRINBUPK-UHFFFAOYSA-N 448.504 4.423 5 20 IIBD COc1cc(CN(C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)ccc1OC(F)F 603829702 TYIUOGCQUUSGNT-UHFFFAOYSA-N 447.341 4.470 5 20 IIBD CCc1cccc2c(C3CCN(C(=O)CCNC(=O)c4ccc([N+](=O)[O-])cc4)CC3)c[nH]c12 604193237 JGLBTFWTQHWVSK-UHFFFAOYSA-N 448.523 4.165 5 20 IIBD COc1cc(Br)ccc1C(=O)Nc1cc(C)nn1-c1ccc([N+](=O)[O-])cc1 608962354 GMGQOZIMGAERBP-UHFFFAOYSA-N 431.246 4.112 5 20 IIBD CC(C)Cc1cc(NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)n[nH]1 609114745 QERYXYUUXQMJEJ-UHFFFAOYSA-N 435.484 4.066 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3[nH]nc4nnc(C)c(C)c34)cc2[N+](=O)[O-])n1 609488767 CQLHBRDURSYMMR-UHFFFAOYSA-N 441.498 4.046 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCc3ccc(O)cc3CC2)cc1[N+](=O)[O-])c1ccccn1 609920905 OESAODMXWMRQAB-INIZCTEOSA-N 432.480 4.110 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCN(Cc3ccccc3)c3ccccc32)c(F)c1 610161423 NLONUSDFIXYERT-UHFFFAOYSA-N 441.484 4.340 5 20 IIBD COc1cc(C(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)cc([N+](=O)[O-])c1OC 610171914 XUXGRHZAIGEQKR-UHFFFAOYSA-N 445.815 4.363 5 20 IIBD COc1cc(C(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)cc([N+](=O)[O-])c1OC 610172362 VPSQFSIVOVZEPV-UHFFFAOYSA-N 435.436 4.141 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3C[C@H](C)O[C@@H](C(F)(F)F)C3)cc2[N+](=O)[O-])n1 610398757 MXURWWSRLJSDJV-IINYFYTJSA-N 447.460 4.303 5 20 IIBD CN(C)CC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cc1 611206400 KJNCVQBTAIFELD-UHFFFAOYSA-N 442.541 4.382 5 20 IIBD CC(C)N1CCN(C2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)CC1 611276101 KUUAYSCHYNSCAF-UHFFFAOYSA-N 428.602 4.314 5 20 IIBD O=[N+]([O-])c1ccc2ncnc(NC3CCN(Cc4ccc(Br)cc4)CC3)c2c1 611712014 SFEJMHGHVYUJGX-UHFFFAOYSA-N 442.317 4.377 5 20 IIBD CCc1oc2ccccc2c1CN(C)C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] 616169614 AIQGUDXZXRFSOF-UHFFFAOYSA-N 441.484 4.305 5 20 IIBD C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(OCC(F)(F)F)cc1 725827558 UPASTVRPAONZEH-SNVBAGLBSA-N 438.811 4.229 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 727932700 WBWWBXXTRBKCNC-STQMWFEESA-N 439.251 4.196 5 20 IIBD Cc1cc(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 728910963 YSPISLJOSRYIGK-UHFFFAOYSA-N 441.532 4.444 5 20 IIBD CCOc1cc(C(=O)OC2CCN(c3ccc(C(C)=O)cc3)CC2)c([N+](=O)[O-])cc1OC 730415761 OIJWSIZCUWCBES-UHFFFAOYSA-N 442.468 4.031 5 20 IIBD C[C@@H](OC(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 730630286 HPCVFIRKGXBACW-GFCCVEGCSA-N 447.419 4.265 5 20 IIBD CCSCc1ccc(C(=O)OC[C@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])cc1 730703241 HXKPJALPPBMNGY-GOSISDBHSA-N 428.510 4.310 5 20 IIBD COc1ccc([N+](=O)[O-])cc1OC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 732642250 JQSOQSMXEHWAIR-UHFFFAOYSA-N 434.448 4.214 5 20 IIBD CC(C)(C)c1ccc([C@@H](O)CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 734870331 PJBYFRMFFVXTTG-DEOSSOPVSA-N 428.532 4.302 5 20 IIBD COC(=O)c1ccc2nc(S[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)oc2c1 735233662 MEEGHGMLARJHNE-VIFPVBQESA-N 435.845 4.295 5 20 IIBD O=C(CC1CCOCC1)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 735355742 WOHOWGBNAACFKP-HXUWFJFHSA-N 432.860 4.288 5 20 IIBD C[C@H](OC(=O)c1csc(Cc2ccccc2F)n1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 735557428 DNLCNKQUZNSVDL-NSHDSACASA-N 447.419 4.104 5 20 IIBD CCN(C(=O)COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 740394933 PRGRZSZROCQUPR-UHFFFAOYSA-N 427.482 4.078 5 20 IIBD O=C(CCCn1cccn1)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 743238013 ZTOQDOZGGNJYOK-HXUWFJFHSA-N 442.859 4.148 5 20 IIBD Cc1ccc(Br)cc1C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 744118511 ZTYNBYCDQYSSLT-OAHLLOKOSA-N 447.285 4.127 5 20 IIBD O=C(O[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1 744824784 KFOHNXAQMLBZGG-SFHVURJKSA-N 445.378 4.030 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)C[C@H](C)c1ccccc1C(F)(F)F 745217951 REPRTFWENDYMQO-LBPRGKRZSA-N 440.374 4.298 5 20 IIBD COc1ccc(COC(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)cc1[N+](=O)[O-] 745546230 AQQAYIUUHIXVMI-UHFFFAOYSA-N 428.319 4.071 5 20 IIBD COc1cccc(C(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2cccc(OC)c2)c1 748434573 GOGRYLIHPRCDDJ-UHFFFAOYSA-N 437.408 4.040 5 20 IIBD COc1cc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)ccc1OC(C)C 748619129 NHOJPVLYYYEHJC-AWEZNQCLSA-N 431.445 4.407 5 20 IIBD CC(=O)c1ccc(OS(=O)(=O)c2cc(Br)sc2Cl)c([N+](=O)[O-])c1 749947424 FMHBJJAGJPHCRJ-UHFFFAOYSA-N 440.680 4.043 5 20 IIBD O=C(Cc1ccc(Cl)cc1Br)OCc1nc2cc([N+](=O)[O-])ccc2o1 751660171 AVYZYUUCMABOLT-UHFFFAOYSA-N 425.622 4.438 5 20 IIBD Cc1cc(F)cc(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1[N+](=O)[O-] 753086049 PMLZAYJJNFHCLW-UHFFFAOYSA-N 425.382 4.019 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 753587580 RPKZUCSCJJJFET-QHCPKHFHSA-N 432.565 4.190 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)cc1[N+](=O)[O-] 753643363 FIGXNEVNDJBPJR-CJNGLKHVSA-N 439.331 4.456 5 20 IIBD COc1ccccc1CN(C[C@H]1CCCO1)C(=O)c1cccc([N+](=O)[O-])c1Br 753811406 XNDJKXRVDHWXMV-OAHLLOKOSA-N 449.301 4.187 5 20 IIBD C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 755017704 DSMDYDYFBYBYBM-UCQJPZFISA-N 433.804 4.130 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)NC1CCN(CCc2ccccc2)CC1 755030329 OHIJCARKVWVMLP-UHFFFAOYSA-N 447.333 4.186 5 20 IIBD CCN(C(=O)COC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1nc2ccccc2s1 755054763 MWYZNMQWTWLPAD-LBPRGKRZSA-N 431.445 4.043 5 20 IIBD CCOc1cc(COC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)ccc1[N+](=O)[O-] 755508004 PHZBXGPSCAYRCW-QGZVFWFLSA-N 446.887 4.243 5 20 IIBD O=C(COC(=O)Cc1ccc([N+](=O)[O-])cc1Br)Nc1cccc2ccccc12 756526528 JVWLMSVSJXHTAN-UHFFFAOYSA-N 443.253 4.235 5 20 IIBD CC(C)Cn1ccc2cc(NC(=O)C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)ccc21 757271143 ICAJEBDXXXUVMR-UHFFFAOYSA-N 428.876 4.114 5 20 IIBD O=[N+]([O-])c1ccc(N[C@@H]2CC3(CCC3)Oc3ccccc32)c(S(=O)(=O)N2CCCC2)c1 757792209 WFACYHUCIDCFMP-LJQANCHMSA-N 443.525 4.238 5 20 IIBD COC(=O)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)c1cccc(Cl)c1 758522968 NGLJPDSPOONFHA-ZDUSSCGKSA-N 441.665 4.045 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cc(F)c(C(F)(F)F)c(F)c1 758842940 NBBBEMIIUHIOTG-QMMMGPOBSA-N 448.300 4.084 5 20 IIBD O=C(CSCc1coc(-c2ccccc2)n1)O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 759950460 PVEXIVOLLDLHNQ-QZTJIDSGSA-N 442.497 4.407 5 20 IIBD Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 759956784 YSCZOFMSKRLLNO-VQTJNVASSA-N 441.463 4.003 5 20 IIBD O=C(OCC(=O)[C@H]1CCOC1)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 762840778 DJWCFPLPAMSQLL-ZDUSSCGKSA-N 444.490 4.118 5 20 IIBD C[C@@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccc(F)cc1Cl 762999361 MHIVGVPSCUVKDE-SNVBAGLBSA-N 426.803 4.374 5 20 IIBD CC(C)[C@H](OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(=O)Nc1ccccc1Cl 763869320 KOTAOYSQUXIGCW-IBGZPJMESA-N 442.859 4.254 5 20 IIBD CC[C@H](OC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)C(=O)c1ccc(Cl)cc1 763909824 RXLFUSWIGGOARB-KRWDZBQOSA-N 446.843 4.141 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)OC(C)(C)C)nc1 764225271 LWMHAVIWJDYOST-UHFFFAOYSA-N 448.501 4.328 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CCN(C(=O)c2cc3occc3s2)CC1 770005450 CTRPNOJPXPKTBK-UHFFFAOYSA-N 434.861 4.046 5 20 IIBD O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1cc([N+](=O)[O-])c2nsnc2c1 771501992 OFEJGDIWMCEXJZ-UHFFFAOYSA-N 425.451 4.166 5 20 IIBD COc1cc(Cc2noc(CSc3nc4ccccc4s3)n2)c([N+](=O)[O-])c(OC)c1 771745979 DUQQSDSWMZGHTA-UHFFFAOYSA-N 444.494 4.488 5 20 IIBD C[C@H]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C 773820054 RNCCBZLLAXPSNS-AAEUAGOBSA-N 431.411 4.131 5 20 IIBD COC[C@@H](OC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1nccs1 774679260 YHTVGZBSUDFCDQ-FZKQIMNGSA-N 428.470 4.164 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2CCS(=O)(=O)c3ccc(Br)cc32)c1 775527257 PPJCHOGSAAWDNZ-HNNXBMFYSA-N 445.722 4.019 5 20 IIBD Cc1ccc(N(C)C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1Br 775957530 XTPWLKBXCCHBJB-UHFFFAOYSA-N 448.273 4.017 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 778148053 VSPQTUIOWDVBMB-GOSISDBHSA-N 447.919 4.215 5 20 IIBD COc1cc(COC(=O)c2cnc(-c3ccco3)s2)c([N+](=O)[O-])cc1OCC(F)F 780064024 SIJFGIKDJOJALU-UHFFFAOYSA-N 440.380 4.321 5 20 IIBD O=C(O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccc2[nH]c3ccccc3c(=O)c2c1 781508428 PSLYKDSUFYFVHD-UXHICEINSA-N 432.436 4.127 5 20 IIBD CC1=C(C(=O)N(C)C)[C@H](c2ccc([N+](=O)[O-])s2)NC(=S)N1c1cc(C)cc(C)c1 782244721 KDMNEOILEFIKQK-SFHVURJKSA-N 430.555 4.071 5 20 IIBD Cc1ccc(Nc2nn(CN3CCC(n4ccc([N+](=O)[O-])n4)CC3)c(=S)s2)cc1 782860908 ROANLRHHAHAEIQ-UHFFFAOYSA-N 431.547 4.125 5 20 IIBD COc1cc(CNc2cnc(Br)c(C)c2)c([N+](=O)[O-])cc1OCC(F)F 783602131 AJIXQVGHXYZWCQ-UHFFFAOYSA-N 432.221 4.325 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1 784401398 YEHBYGRKFIDKGK-UHFFFAOYSA-N 443.887 4.093 5 20 IIBD C[C@H]1[C@H](C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)CCN1C(=O)OC(C)(C)C 786637816 LOROCWZLYRRSET-UONOGXRCSA-N 446.529 4.327 5 20 IIBD COc1ccc(Oc2cc(CNC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])ccn2)cc1 790542977 NNLSPHIOJXGERE-UHFFFAOYSA-N 445.834 4.442 5 20 IIBD O=C(O)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)ccc1Cl 791430772 FNCDUJGBFWNJBP-UHFFFAOYSA-N 425.633 4.054 5 20 IIBD COc1ccc(OC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 792116530 LJZLDAXXFGNXER-KZULUSFZSA-N 439.251 4.035 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@@H](C)c2ccc(Br)cn2)CC1 794168652 FVKJJDAGKUFLIK-AWEZNQCLSA-N 447.333 4.480 5 20 IIBD Cc1cc(N2CCCC2)ccc1NC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] 794793606 PHNFZEPZAMMYDY-UHFFFAOYSA-N 447.333 4.341 5 20 IIBD O=[N+]([O-])c1ccc(F)c(NS(=O)(=O)c2c(Cl)cc(F)cc2Br)c1 800929255 ASZLMBYJYYSBLY-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1 801950549 MDTBXHCPLNARMH-HNNXBMFYSA-N 426.217 4.195 5 20 IIBD O=C(NC1CCCCC1)OC[C@@H]1CCCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 805829410 KIZUMPGAYYYWPK-IBGZPJMESA-N 443.504 4.058 5 20 IIBD CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)NCc3ccccc3[N+](=O)[O-])cccc21 806368236 VRLOZZFYJFUTIA-UHFFFAOYSA-N 440.500 4.282 5 20 IIBD CCN(C)C(=O)c1cccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2-c2cccs2)c1 808279780 VNNIPJQRUNBVLV-UHFFFAOYSA-N 446.506 4.183 5 20 IIBD CC(C)n1ncc2c(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)cc(-c3ccco3)nc21 809254676 VNADBYRSFYFXIB-UHFFFAOYSA-N 434.408 4.220 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)c1nc(Br)ccc1Br 813291144 BFHLCJOOHDWIRN-UHFFFAOYSA-N 429.068 4.330 5 20 IIBD C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[C@@H](c2cccc(C(F)(F)F)c2)O1 813627472 GJJYGCQVVTVPBT-BUXKBTBVSA-N 435.402 4.465 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CC[C@H](Sc2cccc(Cl)c2)C1 815753695 NMEPPTHACDBOEG-AWEZNQCLSA-N 437.880 4.027 5 20 IIBD C[C@@H](OC(=O)c1cccn1Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 900462701 KKMZOPBALVLLRZ-CQSZACIVSA-N 427.844 4.282 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(Nc2cccc(CO)c2)c([N+](=O)[O-])c1 912727883 PVMKNKRBJQVQPU-UHFFFAOYSA-N 427.482 4.046 5 20 IIBD O=C(COC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)Nc1ccccc1[N+](=O)[O-] 913267683 GNXKRNDXMNSYSW-UHFFFAOYSA-N 434.408 4.034 5 20 IIBD COc1ccc(CSCC(=O)O[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1[N+](=O)[O-] 914915917 HPJYTKMNRYKOOF-MRXNPFEDSA-N 446.525 4.332 5 20 IIBD COc1ccc(CSCC(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] 914918257 XWBDKWPRFUICTB-UHFFFAOYSA-N 433.526 4.165 5 20 IIBD C[C@H](OC(=O)COc1ccccc1C(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 914981775 ZJYPYVQCWZEIEJ-JTQLQIEISA-N 446.765 4.216 5 20 IIBD CCCCCCOc1ccc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1 915297905 BTCIFMLGAMGYPB-UHFFFAOYSA-N 445.541 4.214 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cnn(-c2ccc(Cl)nn2)c1C(F)(F)F 916371924 OSPVAARLESEBKB-UHFFFAOYSA-N 440.769 4.112 5 20 IIBD Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C 917742013 NIQCJRCFKWJCMF-IYBDPMFKSA-N 438.528 4.340 5 20 IIBD Cc1ccc([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2I)cc1 918537395 QUEVNEVDZPKAFB-KRWDZBQOSA-N 436.249 4.485 5 20 IIBD C[C@H](OC(=O)c1ccc(N(C)c2ccccc2)nc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 919209393 DTHZGQLKBCPWHC-AWEZNQCLSA-N 438.415 4.081 5 20 IIBD C[C@@H](OC(=O)c1ccc(Oc2ccccc2)nc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 919385282 HOTGEASOPNJVHZ-CYBMUJFWSA-N 425.372 4.105 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 919868123 QSIXSYGWJGQEGC-SFHVURJKSA-N 429.904 4.034 5 20 IIBD COc1cc(C(=O)N[C@H](C)c2ccc(C)s2)c([N+](=O)[O-])cc1OCc1cscn1 919883061 AKUGSLZCGAPNDG-GFCCVEGCSA-N 433.511 4.500 5 20 IIBD CCCCS(=O)(=O)N1CCC(C(=O)Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])CC1 920330778 NKCQHSYJQHERJG-UHFFFAOYSA-N 446.525 4.009 5 20 IIBD COc1ccccc1C(=O)COC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 920545102 FPFPSINSYNJAJS-HNNXBMFYSA-N 435.436 4.211 5 20 IIBD C[C@H](Nc1ccc(C(=O)OCC(=O)N[C@H]2CCCC[C@@H]2C)cc1[N+](=O)[O-])c1ccccn1 920546984 MRXYFHBFIXVZLP-BQFCYCMXSA-N 440.500 4.015 5 20 IIBD COC(=O)[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1Cl 1339377482 KMBMMZXDUBKEJG-AWEZNQCLSA-N 428.622 4.082 5 20 IIBD Cc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2(C)CCCCC2)cc1[N+](=O)[O-] 1802217679 VJVGQTCKVQJLGL-ACDBMABISA-N 427.545 4.054 5 20 IIBD O=C(c1ccc(C2CC2)cc1)N1CCC2(CCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)CC1 1804654355 WJRYESNNHKADAN-UHFFFAOYSA-N 437.496 4.224 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC2(CCCN(C(=O)C3CCCCC3)C2)CC1 1808973546 YPBFMIZZSZLETJ-UHFFFAOYSA-N 431.508 4.159 5 20 IIBD Cc1ccccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2)n[nH]1 1814376027 KAZCKGXEDBHNRH-OAQYLSRUSA-N 447.495 4.175 5 20 IIBD O=C(c1cc(F)ccc1F)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823614332 XQXXANVMQXRXMW-SFHVURJKSA-N 447.438 4.013 5 20 IIBD C/C=C/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1832904839 YIQYFCWKLDKUGO-QCJINXPPSA-N 437.540 4.360 5 20 IIBD CCOC(=O)c1cc(C(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)cc([N+](=O)[O-])c1 10290202 KGTDLHVHRXZXSF-IBGZPJMESA-N 428.441 4.492 5 20 IIBD CCn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1ccccc1OC 10936680 RVMYNJGLOWNGOY-UHFFFAOYSA-N 447.904 4.266 5 20 IIBD O=C(c1cc(Cl)cc(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1 25496749 XDBLLJDBNNZKET-UHFFFAOYSA-N 431.279 4.412 5 20 IIBD COC(=O)[C@H](C)NC(=O)c1ccc(N[C@@H](C)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 26774844 QNGHJXNCGGGAAF-RYUDHWBXSA-N 439.390 4.078 5 20 IIBD Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 57530754 UICMBAJGKBKUQW-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc2[nH]c(-c3ccco3)nc2c1 59583904 VWYXVSRWAVRMHB-UHFFFAOYSA-N 447.407 4.058 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 63878280 ZPVIRNFILRTTCM-UHFFFAOYSA-N 425.466 4.210 5 20 IIBD O=C(c1ccccc1)c1ccc(NC[C@H](c2cccs2)N2CCOCC2)c([N+](=O)[O-])c1 69447743 YUEGPNUGHCJJGF-OAQYLSRUSA-N 437.521 4.373 5 20 IIBD COc1cc2c(cc1NC(=O)Cn1cc(Br)c([N+](=O)[O-])n1)oc1ccccc12 116797107 LSKMQOVNXIUGGW-UHFFFAOYSA-N 445.229 4.101 5 20 IIBD O=C([C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)N1CCc2ccc([N+](=O)[O-])cc21 195535609 VRRPLMQWQWRADL-KRWDZBQOSA-N 434.279 4.096 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCc3cnc(C)s3)c([N+](=O)[O-])c2)c(C)c1 301102587 PBNPLVNLGYHMKE-UHFFFAOYSA-N 432.527 4.389 5 20 IIBD Cc1cccc(C)c1NC(=O)CN(C)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 301113126 WQXUOFWZMKUBHJ-UHFFFAOYSA-N 426.351 4.214 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H]3CCC[C@H]4OCC[C@H]34)c([N+](=O)[O-])c2)c(C)c1 301684530 WKGIJNFZTVFJLV-SFGWALBWSA-N 445.541 4.382 5 20 IIBD O=C(c1cn(Cc2ccccc2)c2ccccc12)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 303672575 GUEDCZRNQARGKU-IBGZPJMESA-N 441.491 4.319 5 20 IIBD O=C(COc1ccc(Br)cc1[N+](=O)[O-])Nc1ccc(OC(F)(F)F)cc1 303955370 WZROXZQTKJHBAH-UHFFFAOYSA-N 435.152 4.273 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NCc1nccn1CCc1ccccc1 426072589 XLGNQHCVWSSLRP-UHFFFAOYSA-N 447.417 4.052 5 20 IIBD O=C(N[C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(Br)cc1[N+](=O)[O-] 429818064 BXOUSGHTSDTJEH-SFHVURJKSA-N 433.258 4.010 5 20 IIBD Cc1cc(C)c(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c(Br)c1 431964995 DYANWAQYRARXIY-UHFFFAOYSA-N 433.306 4.328 5 20 IIBD O=C(NC1CCN(CCc2ccccc2)CC1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 436106041 QEDIDAKDRMXKHS-UHFFFAOYSA-N 443.522 4.257 5 20 IIBD Cc1ccc([C@@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C)S(C)(=O)=O)cc1 437345602 PEZHRPWWVGXMTE-AOMKIAJQSA-N 428.510 4.427 5 20 IIBD CCC(=O)Nc1ccc(C)c(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 438814952 PANWZULDBZKPPA-UHFFFAOYSA-N 432.285 4.359 5 20 IIBD CO[C@@H](C)c1nc(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cs1 438981919 DFQMXDVPKQQGGF-KGLIPLIRSA-N 441.513 4.257 5 20 IIBD COc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)cc1NC(=O)c1cccc(F)c1 439061246 ZETMQDQJMJCBSB-UHFFFAOYSA-N 437.427 4.484 5 20 IIBD Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c(C)c1 439119922 RUYZHKJQEWIYKC-FQEVSTJZSA-N 427.526 4.489 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(CCc1ccccn1)Cc1ccncc1 439153732 PWZUAYFRRXFRNQ-UHFFFAOYSA-N 430.386 4.289 5 20 IIBD Cc1c(NC(=O)[C@@H](C)N2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)cccc1[N+](=O)[O-] 443661536 UKTFMZVIEDVYPB-HUUCEWRRSA-N 426.448 4.390 5 20 IIBD CCc1ccc(-c2csc(NC(=O)Cc3noc(Cc4cccc([N+](=O)[O-])c4)n3)n2)cc1 445426642 KUWSCGHHWJLYJN-UHFFFAOYSA-N 449.492 4.436 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1cccc(Oc2cnccn2)c1 445532338 MBCAKPKOVHUNKP-UHFFFAOYSA-N 429.230 4.121 5 20 IIBD COc1cc(CN2CCC[C@H](c3nccn3C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 446852111 HUUYSJPBKJONSW-IBGZPJMESA-N 436.512 4.296 5 20 IIBD C[C@H](c1cccc(O)c1)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCO1 461811279 RWLSJBANXFYXDF-IIBYNOLFSA-N 437.500 4.325 5 20 IIBD O=C(CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1)Nc1ccc(Br)cc1 462790368 NQHWZYJQXFFLAM-UHFFFAOYSA-N 430.205 4.399 5 20 IIBD COC(=O)[C@@H](CC(F)(F)F)NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 463207108 ABEXJZOJBGCSFL-CQSZACIVSA-N 434.436 4.101 5 20 IIBD NC(=O)c1ccc(SCC(=O)N2CCc3c(-c4ccccc4)cccc32)c([N+](=O)[O-])c1 463894245 CCWBYVHXEFZZCM-UHFFFAOYSA-N 433.489 4.042 5 20 IIBD COc1ccc2c(c1)N(C(=O)c1ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c1)CCO2 464361034 DPXOHVJTOMITRS-OAHLLOKOSA-N 434.452 4.211 5 20 IIBD CC[C@@H]1Oc2cc([C@H](C)NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)ccc2NC1=O 466767673 SJWAMPOZIPCBMH-YWZLYKJASA-N 440.500 4.386 5 20 IIBD O=C1CCC(=O)N1c1ccc(C(=O)N2CCC[C@@H]2CCC2CCCCC2)cc1[N+](=O)[O-] 469610366 AINWFIOXCNXNFC-GOSISDBHSA-N 427.501 4.213 5 20 IIBD CN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCCN(Cc2ccccc2)C1 470676300 ZWEIYPONIMIJNS-HXUWFJFHSA-N 436.537 4.455 5 20 IIBD Cc1cc(-c2noc([C@@H](C)NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)ccc1F 472381731 MPPCYDKTHMWCGJ-CHWSQXEVSA-N 430.461 4.450 5 20 IIBD Cc1c(NCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)cccc1N1C(=O)CNC1=O 475567169 QTFWICDCPDGLDS-UHFFFAOYSA-N 445.479 4.339 5 20 IIBD Nc1c(C(=O)N[C@@H](Cc2ccccn2)c2ccc(Br)cc2)cccc1[N+](=O)[O-] 476510331 NKRIJSZCKRAYQY-KRWDZBQOSA-N 441.285 4.048 5 20 IIBD COc1cc(CCNC(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1OC 476985793 DFCWVDZNIMETHD-AQNXPRMDSA-N 439.512 4.132 5 20 IIBD O=C(Nc1cccc(CN2CCC(CO)CC2)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 477747019 UJIFKHZZTXTUJX-UHFFFAOYSA-N 437.418 4.070 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)C[C@@H](O)Cc2ccccc2)cc1 481135595 CBSISZRNVGMJFP-IBGZPJMESA-N 436.464 4.071 5 20 IIBD Cc1c(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] 481471476 AGVGDQMXNWHBLB-SFHVURJKSA-N 436.295 4.131 5 20 IIBD COc1ccc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1N1CCCCC1=O 481699560 KLUBVYKUBMDWGZ-UHFFFAOYSA-N 446.891 4.138 5 20 IIBD Cc1ccc(-c2csc(NC(=O)CCc3nc(-c4ccco4)no3)n2)cc1[N+](=O)[O-] 483879380 ZXQNLDZMCSGQAL-UHFFFAOYSA-N 425.426 4.241 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1ccc2oc(C3CC3)nc2c1 485377184 IKZNFBRRZZMKKO-UHFFFAOYSA-N 438.259 4.177 5 20 IIBD CCOc1cc(NC(=O)C(=O)N(C)[C@@H](C)c2cc(C)ccc2C)c([N+](=O)[O-])cc1OCC 485382351 JVYDMLQJVXGXQJ-INIZCTEOSA-N 443.500 4.167 5 20 IIBD CC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1cc(F)cc(Br)c1 485802942 CREWMBFUVUHKLY-OAHLLOKOSA-N 440.269 4.184 5 20 IIBD Cc1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1N1CCNC1=O 487711251 UXRPDAIYAZRKAK-UHFFFAOYSA-N 446.463 4.264 5 20 IIBD O=C(CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 487833123 HSWPYYSMPKLGEN-QGZVFWFLSA-N 443.308 4.039 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)c2nnn(-c3ccccc3F)c2C(F)(F)F)cc1[N+](=O)[O-] 488070498 PKAMHOXWNRCMQE-LLVKDONJSA-N 437.353 4.133 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 488741752 PTYWOXMCSLVXCM-LJQANCHMSA-N 448.447 4.144 5 20 IIBD O=C(Nc1ccc(Oc2ccccc2F)nc1)c1cccc([N+](=O)[O-])c1N1CCOCC1 488901796 UMRKNWLTWOIQRT-UHFFFAOYSA-N 438.415 4.010 5 20 IIBD CS(=O)(=O)c1cc(C(=O)N[C@H]2CCc3ccc(-c4ccccc4)cc32)cc([N+](=O)[O-])c1 490411427 IEIIWQRTOFWDQX-QFIPXVFZSA-N 436.489 4.083 5 20 IIBD O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1N=C(c2ccco2)C[C@H]1c1ccco1 490817782 ILXDYXBOUQKJKD-FQEVSTJZSA-N 434.452 4.123 5 20 IIBD COc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)cc1 491287197 XUAPQEGKINWSJQ-SFHVURJKSA-N 438.477 4.057 5 20 IIBD C[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1nc(-c2cccc(F)c2)no1 491399076 ZNYIZRZWEWJIDH-ZDUSSCGKSA-N 425.420 4.219 5 20 IIBD COc1cccc([C@H](C)N2CCN(C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)c1 493280282 LMYCWIAOVRQBMU-MSOLQXFVSA-N 426.517 4.061 5 20 IIBD C[C@@H](CC(=O)c1cccs1)NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 496503009 HIPJDIIJBUBOCX-NSHDSACASA-N 429.420 4.255 5 20 IIBD COC(=O)[C@@H]1C[C@H](OC)CCN1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 497245398 DZVLHRLEGWVMIC-QAPCUYQASA-N 434.876 4.193 5 20 IIBD O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cc([N+](=O)[O-])ccc1SCCO 498055273 OBCAOMREXOKNLJ-UHFFFAOYSA-N 430.482 4.363 5 20 IIBD O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)Nc1ccccc1Sc1ccccc1 498337348 VTOSARMARACGOK-UHFFFAOYSA-N 436.493 4.184 5 20 IIBD Cn1ccc2c(NC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)cccc2c1=O 504294652 CCGNSSYBWLPYCK-UHFFFAOYSA-N 431.398 4.064 5 20 IIBD CCOc1ccc(Br)cc1CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC1 504777694 YHDDXTNBIUFMDK-UHFFFAOYSA-N 433.302 4.490 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)C[C@H]3OCCc4ccccc43)cc2[N+](=O)[O-])C1 506324618 DLZRELAWVFXVJB-NXMSCROESA-N 437.540 4.463 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)N(C)CCCc2cc(-c3ccccc3)n[nH]2)cc1[N+](=O)[O-] 507320439 UOAAIWFDYPNYPL-UHFFFAOYSA-N 448.932 4.200 5 20 IIBD Cc1ccc2nc([C@@H]3CCCN(C(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)C3)[nH]c2c1 508241239 KEAPDXLEBMVAED-GOSISDBHSA-N 433.512 4.400 5 20 IIBD CCCn1ccc2cc(NC(=O)N3CCN(C(=O)c4ccc([N+](=O)[O-])s4)CC3)ccc21 509839003 KTLNGLNYOMLWGC-UHFFFAOYSA-N 441.513 4.011 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@@H](C)[C@H]3CCCN(C4CCC4)C3)cc2[N+](=O)[O-])CC1 511271818 FUBYPCNJRFTLSQ-ICSRJNTNSA-N 428.577 4.214 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)Cc1cccc2[nH]ccc12 511298225 SAFFOWLXCLOSRE-UHFFFAOYSA-N 449.248 4.261 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(Cc3ccco3)C[C@H]3CCCO3)cc2[N+](=O)[O-])C1 511585235 AOYMYTGDSZSIQP-DBXWQHBBSA-N 441.528 4.492 5 20 IIBD COc1ccc([C@@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c2ccc(F)cc2)cc1 512169568 YFCPLYHKJFRIHQ-QHCPKHFHSA-N 446.438 4.448 5 20 IIBD CCN(CC)C(=O)Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 518834805 BXIRWBPIHOGRLH-CQSZACIVSA-N 433.892 4.065 5 20 IIBD CCN(CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(C(F)(F)F)cc1 518916098 DZRKYPWABXGXND-QGZVFWFLSA-N 425.407 4.132 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](NC[C@H]1CCCCO1)c1ccccc1 520519971 AJIJXZDNDYRHEB-APWZRJJASA-N 448.317 4.196 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)N2CCC[C@H](C)C2)cc1C 520769069 ZLTUBRYQWBDKEC-HNNXBMFYSA-N 445.541 4.139 5 20 IIBD O=C1C[C@H](c2ccccc2)N(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CCN1 521062726 ZXBBLWPDFXFSMC-OAQYLSRUSA-N 430.464 4.042 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1cc(C2CCCCCC2)[nH]n1 522924161 XVCVGMKCEIKMJF-UHFFFAOYSA-N 427.461 4.083 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@H]2CCOc3c(-c4ccccc4)cccc32)cccc1[N+](=O)[O-] 523230166 QHQFZQOFTVXJKL-FQEVSTJZSA-N 431.448 4.149 5 20 IIBD CCCC(=O)NC[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 523847854 NLHGKPITHCABEX-KRWDZBQOSA-N 425.485 4.156 5 20 IIBD CN(C)C1(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)Cc2ccccc2C1 524739215 PRKUNAVWDXDNGA-UHFFFAOYSA-N 444.535 4.036 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ccc(OC)cc3)nc2)cc1OC 525080413 ACTJVNAWXHDPGN-UHFFFAOYSA-N 439.424 4.450 5 20 IIBD Cc1ccc(NCCCNC(=O)N2CCC(OCCc3ccccc3)CC2)c([N+](=O)[O-])c1 525323642 MZVVCLYTAZJUAU-UHFFFAOYSA-N 440.544 4.139 5 20 IIBD COc1cccc(Oc2ncccc2CNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)c1 525480313 PTGNWHOMUGVXEI-UHFFFAOYSA-N 425.466 4.443 5 20 IIBD CC1(C)CCCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 525605326 DKQHMMMJWCSWQU-UHFFFAOYSA-N 431.514 4.048 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)CC1(c2ccc(Br)cc2)CC1 532970223 BJQMTOVRADVNHU-UHFFFAOYSA-N 432.318 4.268 5 20 IIBD COc1ccc(C[C@@H](C)CNC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 533991636 GLYMWIPNHXDISW-MRXNPFEDSA-N 436.512 4.074 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCC[C@@H]1[C@@H](O)C(F)(F)F 535442621 QYLUSQLXLDLCLI-NVXWUHKLSA-N 426.416 4.274 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2cnc(-c3ccccc3)s2)cc1[N+](=O)[O-] 535823732 DUAMBAQUDBCZGC-UHFFFAOYSA-N 438.494 4.250 5 20 IIBD Cn1cc(C(=O)Nc2cccc3c2CN(c2ccccn2)C3)c(-c2ccc([N+](=O)[O-])cc2)n1 536045683 PZMBTVVAWPBONQ-UHFFFAOYSA-N 440.463 4.163 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 536494168 QHXMZMKVYSXIBY-MGPUTAFESA-N 434.899 4.222 5 20 IIBD CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 536506199 WIEYWHFGPMWXNK-IBGZPJMESA-N 428.439 4.263 5 20 IIBD O=C(N[C@H](CO)c1ccc(C(F)(F)F)cc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 536623103 AUGXHBLUWNUGEK-OAHLLOKOSA-N 437.399 4.201 5 20 IIBD COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C 537706547 SFKOUJJFSYTUNO-UHFFFAOYSA-N 427.501 4.396 5 20 IIBD COc1ccc([C@H](OC)[C@H](C)NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 537885367 CRQHPJPZZQMFQL-ORAYPTAESA-N 427.482 4.233 5 20 IIBD COc1ccc([C@@H](C)NCCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Br 538169209 HTQULUZJGUCEJT-CYBMUJFWSA-N 436.306 4.354 5 20 IIBD O=C(CN1CC(c2nc3ccccc3s2)C1)Nc1ccc([N+](=O)[O-])cc1Br 539144472 OQPINELQNDVIME-UHFFFAOYSA-N 447.314 4.005 5 20 IIBD CCOc1cc(CN2CCC(C(F)F)CC2)ccc1OCCn1c([N+](=O)[O-])cnc1C 539837442 CBAWNMCNUMLGDN-UHFFFAOYSA-N 438.475 4.055 5 20 IIBD COc1ccc(CN(c2ccncc2)S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cc1 544656167 HZPGJYBEPQKPIJ-UHFFFAOYSA-N 427.482 4.011 5 20 IIBD CN(CCCCCc1cc(-c2ccccc2)no1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 545470185 HCBHHTQDUKLVJZ-UHFFFAOYSA-N 429.498 4.283 5 20 IIBD CSCc1ccc(-c2noc(CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)n2)cc1 545638388 LFAMBIJLDRPFTO-UHFFFAOYSA-N 426.454 4.049 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(c2nc([C@@H]3CCC[C@H](C)C3)no2)CC1 545641923 DKOUYXXAWRJOGG-WMLDXEAASA-N 448.545 4.148 5 20 IIBD CC1CCN(c2ccc(-c3nc(-c4cccc(C(=O)N(C)C)c4)no3)cc2[N+](=O)[O-])CC1 546278329 RDEGVVKROXHRJA-UHFFFAOYSA-N 435.484 4.250 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc(S(=O)(=O)CC)cc1 552472128 COYJHDKGWYIZFP-AWEZNQCLSA-N 436.555 4.382 5 20 IIBD Cc1c(C(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)nnn1-c1cccc([N+](=O)[O-])c1 553906425 FIUXKXNVYLXILQ-SFHVURJKSA-N 443.916 4.144 5 20 IIBD CSCc1cccc(NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1 555695067 JNXGFFTXCFPRAT-UHFFFAOYSA-N 438.303 4.106 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 555927783 YDWPDXFEMJUEOO-IAGOWNOFSA-N 441.228 4.204 5 20 IIBD CCOC(=O)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c2ccccc21 556456919 YOVKXZXCUYIJOM-OAHLLOKOSA-N 447.285 4.363 5 20 IIBD O=C(NCC[C@H](c1ccccc1)C(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 556647998 ITDNOZHFKPWSFG-CYBMUJFWSA-N 429.782 4.039 5 20 IIBD CCOc1ccccc1NC(=O)Cc1noc(-c2ccc3[nH]c4ccccc4c(=O)c3c2)n1 563917845 IRWCNESYQIOFNB-UHFFFAOYSA-N 440.459 4.311 5 20 IIBD COc1cc(C(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c([N+](=O)[O-])cc1OC(F)F 564257131 KQBMVZBWCFYIIJ-AOOOYVTPSA-N 426.338 4.398 5 20 IIBD CCCCOC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCCO2)CC1 568774230 AZDMUXNDMTZKGV-NRFANRHFSA-N 443.548 4.208 5 20 IIBD CCCN1CCN(c2ccc(NC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)c(OCC)c2)CC1 572029167 FVPYJQKDLSTVCA-GOSISDBHSA-N 440.544 4.268 5 20 IIBD C[C@@H]1Oc2ccccc2[C@H]1NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 573996621 AVEFPKQIQDZQBU-RBZFPXEDSA-N 449.429 4.468 5 20 IIBD CCOC(=O)c1csc(CSc2nc3cc4ccccc4cc3c(=O)n2CC)n1 575937638 UZQWTKXQLKPBRV-UHFFFAOYSA-N 425.535 4.495 5 20 IIBD COc1ccc(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1OCC(F)(F)F 576497053 MZUFBFVJJWSJKE-UHFFFAOYSA-N 427.379 4.251 5 20 IIBD COc1cc(CN2CC[C@@H](n3cc(Cl)cn3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 580767207 ZBXZBHZTINFTLN-HXUWFJFHSA-N 442.903 4.479 5 20 IIBD C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2ccccc2)C[C@H](C2CC2)O1 581025058 ZSNFOSOWCDVXSX-HTAPYJJXSA-N 433.512 4.100 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 588790597 SLKDNGFAXCZGQA-UHFFFAOYSA-N 434.427 4.489 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CCC(C)(F)F)cc2)cc1[N+](=O)[O-] 603780548 XUMOSZQYZJPFRV-UHFFFAOYSA-N 427.429 4.078 5 20 IIBD Cc1ccc(NC(=O)Nc2ccccc2)cc1NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 603975531 IUIWIWJALALNIF-UHFFFAOYSA-N 442.453 4.054 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)cc1[N+](=O)[O-] 603980205 BDOCWHOIQQTNQC-UHFFFAOYSA-N 443.456 4.024 5 20 IIBD CCOc1ccc([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1OCC 604019118 CKNBMDPJXVBQAD-LBPRGKRZSA-N 428.894 4.085 5 20 IIBD Cc1cc(CN(C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)cc(C)c1OCC(F)(F)F 604193017 NVNBZQRYZJYSHT-UHFFFAOYSA-N 436.390 4.301 5 20 IIBD Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 604452301 IGGPMEKCYQPHDH-UHFFFAOYSA-N 447.495 4.228 5 20 IIBD CS(=O)(=O)c1cc(C(=O)Nc2ccc(CCCc3ccccc3)cc2)cc([N+](=O)[O-])c1 608809118 RWUWZVDKTNRSBA-UHFFFAOYSA-N 438.505 4.426 5 20 IIBD O=C(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 609053650 GMTWAFAFDUVPPX-JOCHJYFZSA-N 447.882 4.413 5 20 IIBD O=C(NCc1ccco1)Nc1ccc(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cc1 609493896 VOFJTGZWOVDWMM-UHFFFAOYSA-N 447.407 4.016 5 20 IIBD Cn1ccnc1-c1cccc(NC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 609929394 WXIANSXEVOSTFN-UHFFFAOYSA-N 448.405 4.248 5 20 IIBD O=C(c1cccc2ccccc12)N1CCC[C@@H](C(=O)N2CCc3c2cccc3[N+](=O)[O-])C1 609973084 YRRCBNZWYYQREU-GOSISDBHSA-N 429.476 4.190 5 20 IIBD CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2Br)sc(C)c1C 610035737 KNAYTJIPDBRGTM-UHFFFAOYSA-N 427.276 4.465 5 20 IIBD CC(=O)N[C@@H](CC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 610210451 SGFAFUGZPXOTJG-AZUAARDMSA-N 433.917 4.090 5 20 IIBD CC[C@H](C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)N1CCCC1=O 610339956 TWZPTCAWMPMAIX-QGZVFWFLSA-N 449.866 4.197 5 20 IIBD CCOc1cc(Br)c(NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1OCC 611534668 GAIGBOLCXSKGAK-UHFFFAOYSA-N 425.235 4.113 5 20 IIBD CN1[C@H]2CC[C@H]1CC(c1noc(-c3ccn(-c4c(Cl)cc([N+](=O)[O-])cc4Cl)n3)n1)C2 612955321 XYLZLARSNPHVLD-RYUDHWBXSA-N 449.298 4.478 5 20 IIBD O=C(O)[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(Br)c1 617345434 LBGPUJKBDPZZGB-MRXNPFEDSA-N 448.298 4.396 5 20 IIBD O=C(COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])N[C@H](Cc1ccccc1)c1ccccc1 725936210 VPJZDNNWFHMUOF-HXUWFJFHSA-N 440.402 4.130 5 20 IIBD C[C@H](C(=O)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1c(Cl)cccc1Cl 726313950 LPEPKIQZSVJBAF-QMMMGPOBSA-N 437.688 4.164 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNCCS(=O)(=O)Cc3ccccc3)o2)c(Cl)c1 726607186 RUCLWZFJCRTSIQ-UHFFFAOYSA-N 434.901 4.213 5 20 IIBD O=C(CSc1nnc(-c2cccs2)n1C1CC1)OCCc1ccc([N+](=O)[O-])cc1 728636529 QZFGPQVOCNUKCP-UHFFFAOYSA-N 430.511 4.128 5 20 IIBD O=C(OCc1nnsc1Cl)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 728919109 SOKYTKMRRPYWMD-UHFFFAOYSA-N 438.248 4.341 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@@H](Cn3ccnc3)C(C)(C)C)cc2[N+](=O)[O-])C1 729337884 LUFDHXFBXRBQER-FVJLSDCUSA-N 427.549 4.118 5 20 IIBD C[C@H](OC(=O)Cc1ccccc1Br)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 729729806 ACYQAXXSNDKYOT-JTQLQIEISA-N 441.665 4.124 5 20 IIBD C[C@@H](OC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)Nc1ccc(OC(F)(F)F)cc1 730644339 BIOHHVRGFGJZJV-SECBINFHSA-N 432.738 4.331 5 20 IIBD Nc1ccc(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)cc1[N+](=O)[O-] 731478128 CENFFAOYGHSEOO-UHFFFAOYSA-N 449.442 4.159 5 20 IIBD Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)c2c1 731587138 TWTZYHAFKYBVTP-UHFFFAOYSA-N 428.448 4.322 5 20 IIBD Cc1nc2c(s1)[C@H](N(C)c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])CCC2 731903149 AIWWJWFEBHWLLS-CYBMUJFWSA-N 435.449 4.167 5 20 IIBD CC(C)n1c(S)nnc1[C@H]1CCCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 732166836 BRWPOUNWBSMLTG-HNNXBMFYSA-N 431.562 4.373 5 20 IIBD CC(C)[C@H](C)N(CC(F)(F)F)C(=O)c1ccc(I)c([N+](=O)[O-])c1 733933995 CNWKVILYDWZMAL-VIFPVBQESA-N 444.191 4.248 5 20 IIBD COc1ccc(OC(F)F)c(COC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])c1 734328567 TVLIBLYHRBDLFB-UHFFFAOYSA-N 429.397 4.292 5 20 IIBD Cc1cc(C)n(-c2ccc(CC(=O)OCc3cnc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)n1 735442868 KHSZZEOZMDYIIX-UHFFFAOYSA-N 432.436 4.338 5 20 IIBD C[C@H](OC(=O)[C@H](C)c1ccsc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 738827879 MONYFTHLJMBHBJ-NEPJUHHUSA-N 431.495 4.454 5 20 IIBD CCc1ccc(-c2noc(COC(=O)c3ccc([N+](=O)[O-])cc3Br)n2)cc1 740422827 MEJKBAJDRXMVSL-UHFFFAOYSA-N 432.230 4.327 5 20 IIBD CC(C)(C)OC(=O)N[C@H](C(=O)NCCc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 742133445 ZIYJECWXJHCHIM-SFHVURJKSA-N 433.892 4.173 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)C[C@H](Cc2ccccc2)c2ccccc2)ccc1[N+](=O)[O-] 744152377 OICNRNPRLUSTFJ-FQEVSTJZSA-N 438.505 4.125 5 20 IIBD COC(=O)c1cc2cc(COC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)ccc2o1 744470715 LKUWZEJXXRKPNO-UHFFFAOYSA-N 438.436 4.087 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)c1nc(Cc2ccccc2)no1 745074870 WRNMVXXMVHUPOL-NSHDSACASA-N 432.230 4.249 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc(NC(=O)C(C)C)ccc2Cl)cccc1[N+](=O)[O-] 745187435 ZPGUFHFFTKSPDT-CYBMUJFWSA-N 447.875 4.335 5 20 IIBD CCN(C)Cc1cccc(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)c1 749422443 UIPZUFMOBYFBHS-UHFFFAOYSA-N 440.725 4.392 5 20 IIBD COc1ccc(CCN(Cc2ccsc2)C(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1OC 749440254 SFRMROVUXXJBSM-UHFFFAOYSA-N 441.509 4.141 5 20 IIBD COc1cc(CN2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC(F)F 749511333 ODOXQRQZEUODOB-WMZOPIPTSA-N 440.418 4.432 5 20 IIBD O=C(NC[C@@H](Cc1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 749774133 CQHNFCXJPITBKT-GOSISDBHSA-N 437.883 4.329 5 20 IIBD C[C@H](OC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])c1ncc(-c2ccc(Cl)cc2)o1 751716677 XYOXLXPZSOXUOU-LBPRGKRZSA-N 430.800 4.399 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cccc(CN(C)Cc2ccccc2)c1 751781154 PBACVQHDHITMGG-UHFFFAOYSA-N 447.491 4.331 5 20 IIBD CN(CC(=O)OCc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1)C(=O)c1cccs1 752217332 OUKATGMEMROVLM-UHFFFAOYSA-N 426.450 4.264 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@H](C)C[C@@H](O)c2cccs2)cc1[N+](=O)[O-])c1ccccn1 752279028 RHMQEXRCRNGIBQ-QEEYODRMSA-N 440.525 4.466 5 20 IIBD Cc1cc(F)cc(C(=O)OCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1[N+](=O)[O-] 752557168 HDDGUEPXWUHJTI-UHFFFAOYSA-N 436.395 4.334 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)Nc2cc3c(cc2Br)OCCO3)cc1[N+](=O)[O-] 752623263 YLLVBHDLSOWRNM-LLVKDONJSA-N 436.262 4.320 5 20 IIBD C/C(=C/C(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccccc1OC(F)F 753405418 LEOWYPVDLDDDIO-SQFISAMPSA-N 447.438 4.454 5 20 IIBD Cn1ccnc1[C@H](NC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 753586255 GPYSXSZZJGLNTL-XXBNENTESA-N 443.548 4.045 5 20 IIBD C[C@@H](Sc1ccccn1)C(=O)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 754222965 CZXCGZHYARWQJW-AEFFLSMTSA-N 443.525 4.099 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)OCC(=O)c1cc(C)n(Cc2cccs2)c1C 755681952 XJWMEHTVVBBSBT-UHFFFAOYSA-N 428.466 4.171 5 20 IIBD C[C@@H](OC(=O)c1ccc(F)c(F)c1F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 757093662 RMGUHGKHIVVECV-SSDOTTSWSA-N 436.264 4.215 5 20 IIBD COc1ccc(C(=O)Nc2ccc(C(=O)Oc3ccc(OC)cc3[N+](=O)[O-])s2)cc1 757543286 PTDBOTZASMISFX-UHFFFAOYSA-N 428.422 4.145 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cnc(Cl)c(Br)c2C)c1C 758945271 BHOQBNLISYDEGT-UHFFFAOYSA-N 434.699 4.132 5 20 IIBD O=C(Nc1ccccc1)c1ccc(C(=O)O[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 759446105 RCCYUACNGXSJFH-WOJBJXKFSA-N 434.452 4.384 5 20 IIBD Cc1cccc(CN(Cc2ccccn2)S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c1 759777667 QPCAQNGGZNULMT-UHFFFAOYSA-N 429.473 4.137 5 20 IIBD CCC(CC)(CNC(=O)c1cccc([N+](=O)[O-])c1Br)NC(=O)OC(C)(C)C 760837474 DUZWXCKBDMEFFJ-UHFFFAOYSA-N 444.326 4.171 5 20 IIBD Cc1ccc(S(=O)(=O)N(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c2ccc(O)cc2)cc1 763953348 HTEYSAIOHKJPOM-INIZCTEOSA-N 440.477 4.134 5 20 IIBD CC[C@H]1CN(C(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1NC(=O)OC(C)(C)C 765609869 MEBGXFRXSLMTNG-HBFSDRIKSA-N 433.549 4.315 5 20 IIBD C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 767082775 AXMLCPPKSMLGHQ-VIFPVBQESA-N 427.201 4.027 5 20 IIBD Cn1ccnc1[C@H](O)[C@H]1CCCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 770334236 FKSTUKIOBGLUAQ-HTAPYJJXSA-N 440.475 4.205 5 20 IIBD O=C(Cc1noc(COc2ccc([N+](=O)[O-])c(F)c2)n1)Nc1cc(Cl)ccc1Cl 771007719 HBWWSARRNTWNPL-UHFFFAOYSA-N 441.202 4.184 5 20 IIBD CCCc1ccc(N2C[C@@H](c3nc(Cc4cc(OC)ccc4[N+](=O)[O-])no3)CC2=O)cc1 771390582 MJWOKARCMIOGOI-KRWDZBQOSA-N 436.468 4.050 5 20 IIBD Cc1nc(-c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Br)cc2Cl)n[nH]1 777770492 HQSBBJPYOFNASL-UHFFFAOYSA-N 436.653 4.357 5 20 IIBD O=C(Nc1cccc(CSC2CCOCC2)c1)c1cc([N+](=O)[O-])c2nsnc2c1 778284692 QQGSNYLGNHLBMX-UHFFFAOYSA-N 430.511 4.264 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)N1CCc2sccc2C1 780288564 OYRBKELMEADHFU-CYBMUJFWSA-N 434.539 4.289 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)NCC(F)(F)F 780422158 HEJLPUNZLUNIMI-UHFFFAOYSA-N 448.806 4.235 5 20 IIBD CCn1c(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])nc2ccccc21 782043148 VLVYWLAIFFQTOJ-UHFFFAOYSA-N 430.464 4.473 5 20 IIBD O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 782171589 AGXCWIPMLDECSC-CYBMUJFWSA-N 435.249 4.232 5 20 IIBD C[C@@](O)(CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccc(F)cc1F 787403994 UBMVRJYKKXLGGK-HSZRJFAPSA-N 442.418 4.090 5 20 IIBD CCOc1ccc(-c2nc(CC(=O)OCc3ncc(C)c([N+](=O)[O-])c3C)cs2)cc1 789445379 FQUJOEGWFLZMPI-UHFFFAOYSA-N 427.482 4.415 5 20 IIBD C[C@H](Oc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 795276142 WNHYFZRYQQWSFU-JTQLQIEISA-N 443.359 4.078 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(Cc3cc(F)cc(Br)c3)no2)ccc1-n1ccnc1 795737031 XBSPSGVVPHKYLW-UHFFFAOYSA-N 444.220 4.323 5 20 IIBD CN(CC(=O)N(C)c1ccc2ccccc2n1)c1cc(Br)ccc1[N+](=O)[O-] 796665425 IHSZKJZWIWZXMH-UHFFFAOYSA-N 429.274 4.005 5 20 IIBD CCc1ccc([C@H](O)CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cc1 804152069 WNDFQTJUUKZISE-OAHLLOKOSA-N 427.682 4.037 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](c1c[nH]c2ccccc12)C(Cl)(Cl)Cl 804580409 SJVQFVCAGRHRHT-MRXNPFEDSA-N 444.706 4.199 5 20 IIBD CCOc1ccc(CNC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cc1 806539308 OHIHJWQVRSYDKQ-UHFFFAOYSA-N 434.290 4.024 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H](c1ccccc1)[C@H](O)c1ccccc1 808341631 KDNHSZZQTGJKSM-VQTJNVASSA-N 432.885 4.001 5 20 IIBD CN1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)c2ccc(F)cc21 809818188 CXJNDSZJBMQAQK-UHFFFAOYSA-N 434.276 4.076 5 20 IIBD COc1cc(OC)cc(-c2cccc(NC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)c1 812761594 BHUGWZXBPIITHI-UHFFFAOYSA-N 438.396 4.143 5 20 IIBD O=C(N[C@H](CCO)c1ccc(Cl)cc1)c1cc(F)cc([N+](=O)[O-])c1Br 813695066 KGQXHHYFGSXRTA-CYBMUJFWSA-N 431.645 4.003 5 20 IIBD CC(=O)N(c1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1)[C@@H]1C[C@@H]1C 819098405 GSFRIMRZNCBLJR-BBATYDOGSA-N 426.429 4.133 5 20 IIBD CC(C)[C@@H](OC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCSc2ccccc21 877058305 YJWGDWSIJDISRW-ZDKIGPTLSA-N 426.494 4.315 5 20 IIBD CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 913125198 JUEJRMSGMUBERV-GFCCVEGCSA-N 440.258 4.052 5 20 IIBD COc1cc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(C(=O)N2CCCCC2)cc1OC 914871297 ZVIIAFKKKQRRPV-UHFFFAOYSA-N 447.875 4.144 5 20 IIBD Cc1onc(-c2ccc(F)cc2)c1C(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 914924599 NRARYMXNZYHOAZ-UHFFFAOYSA-N 433.779 4.146 5 20 IIBD Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1NC(=O)c1ccccc1 915019884 URPIYOZMGNOMPK-MRXNPFEDSA-N 447.447 4.340 5 20 IIBD COc1ccc(OC)c([C@H](O)CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)c1 915224720 IMCLNALNZRIIKY-OAQYLSRUSA-N 442.443 4.367 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl 915663709 QHHNFXLUEDWELF-SECBINFHSA-N 445.230 4.118 5 20 IIBD O=C(Nc1ccc(CN2CCOC2=O)cc1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 917790000 VFXBDNFFOGVVMA-UHFFFAOYSA-N 446.463 4.411 5 20 IIBD CSc1nc(C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c2ccccn12 920285506 NMXYCCGVJIHTQW-UHFFFAOYSA-N 448.460 4.436 5 20 IIBD Cc1c(C(=O)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])sc2cccc(F)c12 920334049 MAUPFWIYAOBGOW-UHFFFAOYSA-N 428.850 4.029 5 20 IIBD Cc1cc(C(=O)Oc2ccc(N(C)S(=O)(=O)c3ccccc3F)cc2)cc([N+](=O)[O-])c1 920839217 XBDRWMWLTSYRHV-UHFFFAOYSA-N 444.440 4.087 5 20 IIBD C/C(=C\C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccc(F)cc1 921276865 KKBWFKUXRPBRJO-ZRDIBKRKSA-N 447.469 4.065 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1nn(-c2ccccc2F)cc1Br 1116911055 MQIAKEQKKCXZCY-UHFFFAOYSA-N 449.236 4.333 5 20 IIBD COc1ccc(-c2ccc([C@H]3NC(=O)c4cc(Br)ccc4N3)o2)c([N+](=O)[O-])c1 1321776923 RRINIGIFXVVRFT-GOSISDBHSA-N 444.241 4.480 5 20 IIBD Cc1c(CNC(=O)N2CCCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cccc1[N+](=O)[O-] 1326247564 CVGNQDDEYKJZAF-UHFFFAOYSA-N 446.548 4.226 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])c(C(=O)NC2(c3ccc(NC(=O)c4ccc[nH]4)cc3)CCC2)c1 1789685689 UWGCYFAMYQXDGI-UHFFFAOYSA-N 447.495 4.050 5 20 IIBD Cc1cc[nH]c1C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)CCC1 1790622651 PWDRXOOHPCNEMA-UHFFFAOYSA-N 436.443 4.432 5 20 IIBD CCC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CCC1 1793079686 ZFTJRCZZDCGJAE-BCDXTJNWSA-N 433.936 4.009 5 20 IIBD Cc1cc(CCCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@]2(C)C[C@@H]2C)C3)c([N+](=O)[O-])cc1F 1793405352 OINLKNBEVQCOFG-MGWJKKTFSA-N 445.535 4.049 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1cccs1 1796205878 IMYBKPHZVCGSFA-KNLVPVJXSA-N 443.500 4.069 5 20 IIBD CC(C)(C)CC(=O)N1CCCC2(CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC2)C1 1809034078 NMLKORZSIMFIRJ-UHFFFAOYSA-N 429.561 4.195 5 20 IIBD CC(C)=CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 1830257550 SSDKRWIYEZSEHI-QFIPXVFZSA-N 443.544 4.280 5 20 IIBD CC(C)/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1832509981 KQCDHWVNSYYHRD-GKJKKBKTSA-N 429.517 4.033 5 20 IIBD CCC1(C(=O)N2CCCC23CN(C(=O)CCCc2cc(C)c(F)cc2[N+](=O)[O-])C3)CCC1 1843958017 YVRIYXGCESLKND-UHFFFAOYSA-N 445.535 4.149 5 20 IIBD Cc1cccc(C)c1C(=O)N1CCCC12CN(C(=O)C1(c3cccc([N+](=O)[O-])c3)CCC1)C2 1845417349 AEJNRWSFQNNZPO-UHFFFAOYSA-N 447.535 4.151 5 20 IIBD O=C(CSc1ccc2c(c1)OCCCO2)Nc1ccc([N+](=O)[O-])cc1Br 10603404 UTOACMKGMUFVQQ-UHFFFAOYSA-N 439.287 4.249 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1ccccc1Br)c1ccccc1[N+](=O)[O-] 14375844 AEEPHPYNSJTCEH-MRXNPFEDSA-N 435.274 4.170 5 20 IIBD COc1cccc(CNC(=O)CSc2nc3ccccc3c3nc4ccccc4n23)c1 15033770 DDVPOEWVBUCJQG-UHFFFAOYSA-N 428.517 4.453 5 20 IIBD COCc1c(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)sc2cccc(F)c12 17937477 KRXWCYIRHDCBRR-LLVKDONJSA-N 432.429 4.279 5 20 IIBD CC(C)(C)n1nnnc1S[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 27808540 HOCHPBRTVQULRO-MRXNPFEDSA-N 446.920 4.462 5 20 IIBD COc1ccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1OCc1cccnc1 31410714 LHSVDBMYNAHDQV-UHFFFAOYSA-N 445.435 4.015 5 20 IIBD Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 33111176 UWUOOJTUJOWOPY-UHFFFAOYSA-N 443.916 4.038 5 20 IIBD COc1ccc(-c2nc(NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)sc2C)cc1 33150236 IRLCMRDLOVHQDH-UHFFFAOYSA-N 435.465 4.473 5 20 IIBD O=C(Nc1ccccc1I)c1cc([N+](=O)[O-])ccc1Br 45625398 NMDSGCPFZKIJOD-UHFFFAOYSA-N 447.026 4.214 5 20 IIBD O=C(COc1cccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1)Nc1ccccc1 58564310 JQMFYIZSODQJCA-UHFFFAOYSA-N 430.420 4.346 5 20 IIBD CCCCCNC(=O)C1CCN(c2cc(CC)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 64914221 QCRAAAMUCHUFOP-UHFFFAOYSA-N 425.533 4.137 5 20 IIBD Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 64974269 UDPFTRWRGPXJND-UHFFFAOYSA-N 441.531 4.488 5 20 IIBD CC(C)c1sc(NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)nc1-c1ccccc1 71898651 DEJSQWAUBFTVOH-UHFFFAOYSA-N 438.465 4.388 5 20 IIBD COc1ccc([C@H](CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)N2CCCCC2)cc1 237354730 RWJYMXTVADSBSW-DEOSSOPVSA-N 449.555 4.321 5 20 IIBD O=C(Nc1cccc(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1)[C@H]1CCCO1 237902919 QPGSVXWZUJTGKO-HXUWFJFHSA-N 438.509 4.126 5 20 IIBD O=C(Nc1ccc(CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])cc1)c1ccc(F)cc1 301079914 DEBNUFBPDUTKEH-UHFFFAOYSA-N 448.454 4.491 5 20 IIBD O=[N+]([O-])c1cnc(N2CCO[C@@H](c3ccccc3Br)C2)c(Br)c1 301518168 FZZMMFJSQZEGOD-CQSZACIVSA-N 443.095 4.093 5 20 IIBD CC[C@H](C(=O)N1CCC(Nc2ncc(Br)cc2[N+](=O)[O-])CC1)c1ccccc1 301666892 CMVGATVKHSBEQC-KRWDZBQOSA-N 447.333 4.349 5 20 IIBD Cc1ccc(NCCCNC(=O)Cc2csc(Cc3ccc(F)cc3)n2)c([N+](=O)[O-])c1 303747478 AVWXFEVTFZGITO-UHFFFAOYSA-N 442.516 4.251 5 20 IIBD CC(C)(C)c1cccc(OCCCn2cnc3c(cnn3-c3ccccc3[N+](=O)[O-])c2=O)c1 303833296 KWBXBEWSFIPERS-UHFFFAOYSA-N 447.495 4.257 5 20 IIBD CN(C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1S(C)(=O)=O 429591960 KSAWGNTXVWDDNQ-UHFFFAOYSA-N 442.518 4.426 5 20 IIBD CCC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C 430329408 QCKZHYZOKIYSOE-MRXNPFEDSA-N 448.317 4.132 5 20 IIBD COc1ccc(C[C@@H]2CCCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C2)cc1 431324181 UPHIDLRAHSBEOL-HNNXBMFYSA-N 433.302 4.461 5 20 IIBD C[C@@H](Cc1ccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1)C(=O)O 431992733 PUQITRABBZHYCZ-LBPRGKRZSA-N 436.414 4.475 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCc1ccc(Oc2cccnc2)c(F)c1 432538689 OYDGCXRLCYXMQF-UHFFFAOYSA-N 448.410 4.165 5 20 IIBD COC(=O)C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)c(F)c1 433642269 NOPFRAPWKDFDSQ-HNNXBMFYSA-N 430.219 4.467 5 20 IIBD CCn1nccc1C1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CC1 435325365 ZSSDAPVKXXWZMY-UHFFFAOYSA-N 436.310 4.294 5 20 IIBD COCCN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)[C@@H]1CCCSC1 435330808 WKLSRMYYYAIWBS-CYBMUJFWSA-N 432.340 4.042 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2nnc(SCc3cc(O)ccc3[N+](=O)[O-])n2Cc2ccco2)C1 436474680 MLILGFGJEYSZPL-GASCZTMLSA-N 443.529 4.308 5 20 IIBD Cc1oncc1C(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 437923506 YWDGHOWXNMMASM-UHFFFAOYSA-N 434.330 4.415 5 20 IIBD O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 438547811 QBDPUVUDOVZTTN-UHFFFAOYSA-N 429.885 4.421 5 20 IIBD COC(=O)Cc1csc(N(C)C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])n1 440482759 PTYZFSHDTOBEIM-UHFFFAOYSA-N 443.506 4.195 5 20 IIBD O=[N+]([O-])c1ccccc1CN(Cc1nc(Cc2cccc(Br)c2)no1)C1CC1 441246362 HSPLTGFTKQIABM-UHFFFAOYSA-N 443.301 4.496 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C 443943765 DWWRFGPIXANACL-UHFFFAOYSA-N 435.278 4.043 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cccc(OCc4c(C)noc4C)c3)n2)c1 445573994 YEFLIWDMSSZZQW-UHFFFAOYSA-N 436.424 4.428 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(/C=C\c3cc(Cl)c(OC)c(OC)c3)n2)c1 445579214 IHRXQPDDWWBBIS-DAXSKMNVSA-N 431.832 4.418 5 20 IIBD CN(C(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C1CCN(C(=O)c2ccccc2)CC1 446096467 SKMSLIKBRVXKBS-UHFFFAOYSA-N 439.515 4.058 5 20 IIBD Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)Cn1ccc([N+](=O)[O-])n1 460650370 AAGKUGNGFMFUCQ-UHFFFAOYSA-N 436.447 4.475 5 20 IIBD COC(=O)[C@H](CC(F)(F)F)NC(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 463085542 ZXBGBFKSUIQNIF-AWEZNQCLSA-N 442.415 4.278 5 20 IIBD CCOc1cc(NC(=O)N2Cc3ccc(O)cc3C3(CC3)C2)c([N+](=O)[O-])cc1OCC 463562674 HUPHGVNBVLJUJR-UHFFFAOYSA-N 427.457 4.177 5 20 IIBD CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 464732465 HCYKLHMZIDUHKN-INIZCTEOSA-N 445.482 4.395 5 20 IIBD CCCCOc1ccc(CNC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1Cl 467316273 WIMAHSLYGAGINF-UHFFFAOYSA-N 433.892 4.299 5 20 IIBD Cc1ccc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c(O[C@@H]2CCOC2)c1 467369372 KKBJKGQMNHECAZ-GOSISDBHSA-N 439.493 4.124 5 20 IIBD CN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc(C(F)(F)F)c1 469744941 JPGOPWUPJPNDAC-HNNXBMFYSA-N 447.360 4.248 5 20 IIBD CC[C@@H](c1ccccc1)c1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 471516604 QPYZDVRQXKKMLR-ZDUSSCGKSA-N 438.918 4.442 5 20 IIBD O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCCCC[C@H]1c1ccc(C(F)(F)F)cc1 472069783 XHCBFRXHDNLTKU-KRWDZBQOSA-N 425.411 4.137 5 20 IIBD COc1ccc2c(c1)nc(CNC(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C)n2C 472442834 DROAISWNBARQKJ-UHFFFAOYSA-N 428.514 4.168 5 20 IIBD O=C(Nc1ccccc1C(F)(F)F)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 473764793 NUKDIRCSHRDOSN-UHFFFAOYSA-N 448.405 4.234 5 20 IIBD COC(=O)COc1ccc(CN[C@H](C)c2ccc(-c3csc(C)n3)cc2)cc1[N+](=O)[O-] 474357985 AKKGVDRWNVUJHY-CQSZACIVSA-N 441.509 4.429 5 20 IIBD COc1cccc(N2CCC(C(=O)Nc3cccc(Br)c3)CC2)c1[N+](=O)[O-] 475423989 MVXCMLRDVUTCRH-UHFFFAOYSA-N 434.290 4.221 5 20 IIBD O=C(Nc1cc(-c2ccc(OC(F)F)cc2)no1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 478538445 NVTAWQMRUVEPLU-UHFFFAOYSA-N 442.334 4.357 5 20 IIBD CCc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)cnn1-c1cccc(C)c1 480202048 RISLMLKMICMBGR-UHFFFAOYSA-N 437.481 4.000 5 20 IIBD CNC(=O)c1cc(Oc2cc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)ccc2C)ccn1 481180401 LMQAITKIYBABPA-UHFFFAOYSA-N 446.419 4.449 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCNC(=O)c1ccc(Cl)cc1 481828318 CUBXIYQYLJVVNP-UHFFFAOYSA-N 435.933 4.156 5 20 IIBD CNC(=O)c1cc(Oc2cc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])ccc2C)ccn1 481872605 WHAKIGAUOGHIBQ-UHFFFAOYSA-N 440.843 4.356 5 20 IIBD O=[N+]([O-])c1ccc(OCCN[C@H](CO)c2ccc(Br)cc2C(F)(F)F)cc1 483236813 OHFSOUIQLQWZAT-MRXNPFEDSA-N 449.223 4.078 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(C(=O)N(C)c3ccccc3)cc2)c(C)c([N+](=O)[O-])c1 485960085 ULNQMJLKOLEHFW-UHFFFAOYSA-N 447.447 4.219 5 20 IIBD COc1cc(Br)c(CNC(=O)c2cccc(SC)c2[N+](=O)[O-])cc1OC 486240302 ABTCQVRCGKVAPR-UHFFFAOYSA-N 441.303 4.026 5 20 IIBD Cc1cscc1C(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 486848368 VODFWTNJQCXRSU-UHFFFAOYSA-N 431.495 4.326 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N(CCO)CC2CCCCC2)cc1[N+](=O)[O-])c1ccccn1 487173031 NEVZDSRQNFEKJB-QGZVFWFLSA-N 426.517 4.178 5 20 IIBD CC(C)S(=O)(=O)Cc1cccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 487485940 NHLVJVWAWFIXOS-UHFFFAOYSA-N 448.544 4.117 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc(Cc2ccc(C)cc2)s1 487535207 ZKOHJTLVQUZIRT-UHFFFAOYSA-N 444.538 4.336 5 20 IIBD O=C(CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1)Nc1ccccc1Oc1ccccc1 489012158 LYQNOHWDJUDUEB-UHFFFAOYSA-N 435.484 4.249 5 20 IIBD COCCN(C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)[C@H]1CCC[C@@H]1C 489774021 CSASCJPWGVFHJB-FVJLSDCUSA-N 426.517 4.440 5 20 IIBD Cc1cc(-c2noc([C@@H](C)NC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])n2)ccc1F 489780875 RCTYYGPPMLVZHD-CYBMUJFWSA-N 427.436 4.388 5 20 IIBD COc1ccccc1[C@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCCC1 489801262 CTRDJTATCRFFCR-QFIPXVFZSA-N 438.528 4.115 5 20 IIBD CN(Cc1ccc([S@@](C)=O)cc1)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 490010692 TYXKEOAYYSFCTN-WJOKGBTCSA-N 437.521 4.217 5 20 IIBD COC(=O)c1cccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1Br 495022324 CIFJEMBHYIZFKC-UHFFFAOYSA-N 436.262 4.201 5 20 IIBD COC(=O)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)Cc1cccc2ccccc12 498624879 UVQXDWXQEJZVIJ-INIZCTEOSA-N 426.856 4.163 5 20 IIBD Cc1ccccc1CNc1ccccc1NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 499123033 FDZHWLMXGIRCHV-UHFFFAOYSA-N 439.493 4.171 5 20 IIBD Cc1c(C(=O)N[C@H](COc2ccccc2)c2ccccc2)nnn1-c1cccc([N+](=O)[O-])c1 502367833 DRAFJHLIAZHZIT-JOCHJYFZSA-N 443.463 4.034 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ccc(Cl)c(C(F)(F)F)c1 503249275 ZKZOYSKXFFRIDX-UHFFFAOYSA-N 436.173 4.289 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2Cl)cc1 504519019 QOAJUBKWVOYCQK-UHFFFAOYSA-N 447.904 4.034 5 20 IIBD CCCC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C)C(=O)Nc1cccc(N2CCCC2)c1 505548562 CNTNCBAWUNMNCP-JOCHJYFZSA-N 438.528 4.431 5 20 IIBD CCOc1cc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)ccc1OC(F)F 508172768 OZCSUPQMWYCDDP-UHFFFAOYSA-N 433.415 4.027 5 20 IIBD O=C(c1c(F)cccc1F)N1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 512247263 ZOPPZGZGUYFRTI-UHFFFAOYSA-N 427.407 4.091 5 20 IIBD CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 512703051 OGXKDQOECBWWED-UHFFFAOYSA-N 446.504 4.158 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)cc1[N+](=O)[O-] 513245638 IZNMEACFQBCFCX-UHFFFAOYSA-N 438.889 4.225 5 20 IIBD Cc1c(NC(=O)NC2CCN(Cc3coc(-c4ccccc4)n3)CC2)cccc1[N+](=O)[O-] 513956821 KFXSKTBVLPDYSM-UHFFFAOYSA-N 435.484 4.344 5 20 IIBD C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 515665400 XQDXPUIJBWZGAP-IYBDPMFKSA-N 435.484 4.375 5 20 IIBD Cc1nn(C)c(C(=O)Nc2ccc(Cl)c(Cn3c(C)nc4ccccc43)c2)c1[N+](=O)[O-] 518936733 WWAQVLAKPINHQJ-UHFFFAOYSA-N 438.875 4.249 5 20 IIBD CCN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC 520521095 VEGXPIVLHMAWFJ-UHFFFAOYSA-N 426.494 4.404 5 20 IIBD CCC[C@@H](NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)c(Cl)c1 520921114 OKLFDSCMJBZGEL-OAHLLOKOSA-N 438.267 4.467 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](c1ccccc1)c1nc2ccccc2n1C 522247925 GKPGCUXJEULQQF-NRFANRHFSA-N 431.452 4.401 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(Oc3cccc(S(C)(=O)=O)c3)cc2)cc1[N+](=O)[O-] 523091136 KUEIVBSNFNPLPZ-UHFFFAOYSA-N 426.450 4.351 5 20 IIBD COc1cc(CNCc2cccc(-n3ccnc3)c2)c([N+](=O)[O-])cc1OCC(F)(F)F 523733397 ZROXLJPFCLSAEZ-UHFFFAOYSA-N 436.390 4.020 5 20 IIBD CCc1[nH]nc(C(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)c1[N+](=O)[O-] 523979871 PKWQXUPQIFFVNY-UHFFFAOYSA-N 430.468 4.005 5 20 IIBD COc1ccc(C2(CNC(=O)Cc3ccc(OC)c([N+](=O)[O-])c3)CCCCC2)cc1OC 524369556 OQSOBGOFITUCEN-UHFFFAOYSA-N 442.512 4.181 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(Cc3csc(-c4ccc5c(c4)OCO5)n3)CC2)cc1 525795289 LOCAWPUWRSDRDG-UHFFFAOYSA-N 439.493 4.490 5 20 IIBD O=[N+]([O-])c1ccc(Cc2nc(O)c3cc(Br)ccc3n2)c(Br)c1 531026109 RDDWDPRXCUOGGZ-UHFFFAOYSA-N 439.063 4.359 5 20 IIBD CCOCCOCc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1 531027623 COJTUECMZILWSS-UHFFFAOYSA-N 437.290 4.092 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@H](c2nc3ccccc3s2)C1 533012452 KTOGHNJFNDINAF-GJZGRUSLSA-N 440.525 4.420 5 20 IIBD CCc1ccccc1NC(=O)[C@H](C)[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534796115 HIVCGUCVXKRVTR-KJEZJMDVSA-N 427.482 4.088 5 20 IIBD Cc1c(NC(=O)C(=O)NCc2ccc(-c3ccc4c(c3)C[C@@H](C)O4)cc2)cccc1[N+](=O)[O-] 535284040 LSVNWDPKFGFWAC-OAHLLOKOSA-N 445.475 4.149 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(OC2CCCCC2)nc1 536537358 QHUOOKDEYIILAL-UHFFFAOYSA-N 445.541 4.370 5 20 IIBD CC(C)Sc1ccccc1C(=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc12 538300167 LSVLGFCOOGXRRQ-UHFFFAOYSA-N 425.514 4.271 5 20 IIBD C[C@H]1C[C@H](C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)C[C@@H](C)O1 538741913 WUDGMZIQFARSBK-BCDXTJNWSA-N 443.569 4.171 5 20 IIBD COc1cc(C)c([C@H](C)NCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1OC 539295947 TUKCWYYDCMDENQ-LBPRGKRZSA-N 426.416 4.381 5 20 IIBD CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 540779651 VRZBVLREUKUHLZ-DFNIBXOVSA-N 427.888 4.156 5 20 IIBD CC(=O)NCc1ccc(-c2csc(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)n2)s1 541584113 YORZLSZLMMEXLQ-SNVBAGLBSA-N 448.501 4.297 5 20 IIBD Cc1cc(-c2noc([C@@H](C)NCCC(=O)Nc3cccc([N+](=O)[O-])c3C)n2)ccc1F 541687902 ZQPRFLBJFPLYRL-CQSZACIVSA-N 427.436 4.080 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 541706315 SPEDXPPCHFHGAG-CXAGYDPISA-N 425.363 4.377 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCO[C@H](CCc2ccccc2)C1 544569985 NSAACVVAPYFPBL-QGZVFWFLSA-N 438.402 4.010 5 20 IIBD CC(C)[C@@H](Cc1ccccc1)C(=O)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 544690020 HXKHZKBDUHMLAC-HXUWFJFHSA-N 435.528 4.025 5 20 IIBD COc1ccc(Cc2nc(Cc3ccc(OCc4cccnc4)cc3)no2)cc1[N+](=O)[O-] 545056961 YLSTVSCURHIWSU-UHFFFAOYSA-N 432.436 4.142 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 546071094 MABFPEVMFROGAQ-CYBMUJFWSA-N 435.502 4.346 5 20 IIBD COc1ncc(Br)cc1Cc1noc(/C=C/c2ccc(F)cc2[N+](=O)[O-])n1 547178241 GYHZCMLSHFAAMA-HWKANZROSA-N 435.209 4.044 5 20 IIBD CCOc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2I)ccc1C 550492407 XUXBMKTYZRUCSC-UHFFFAOYSA-N 426.210 4.159 5 20 IIBD O=C(C1CCN(c2noc3ccc(Cl)cc23)CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 551556099 DFUHQRBRLSGBNV-UHFFFAOYSA-N 440.887 4.191 5 20 IIBD COCc1cnc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)s1 552815900 OOOCZKHXZRIFJW-UHFFFAOYSA-N 444.435 4.072 5 20 IIBD Cc1cc(N2CCCCCC2)ccc1NC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C 552961519 GFJONYFWVKNICO-UHFFFAOYSA-N 434.500 4.425 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@@H](Sc2cccc(Cl)c2)C1 554263541 JUOKZXBZSYJCOX-GOSISDBHSA-N 428.901 4.441 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)c1nncn1C 561048574 PEQLTOYXTFRTJH-LJQANCHMSA-N 442.907 4.116 5 20 IIBD CCOc1cc(CN(c2ccccc2OC)S(=O)(=O)c2cccs2)ccc1[N+](=O)[O-] 565390443 LUZMLSPPWCLZGO-UHFFFAOYSA-N 448.522 4.459 5 20 IIBD O=C(Nc1ccc(OCc2cc(I)cc([N+](=O)[O-])c2)cc1)C1CC1 572530222 OCQKQRPFSACKQL-UHFFFAOYSA-N 438.221 4.127 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC[C@@H](OCC(F)(F)F)C3)cc2[N+](=O)[O-])C1 603981798 NGRQGXGGFINGFE-HLLBOEOZSA-N 443.466 4.261 5 20 IIBD COC(=O)COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c(C)c1 604016798 BKNIYUAGNXLOCT-UHFFFAOYSA-N 436.420 4.500 5 20 IIBD Cn1nc(-c2ccccc2)c2c(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)[nH]nc21 604369652 FCERSLOPRUKRMZ-UHFFFAOYSA-N 448.486 4.070 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 604443048 VNSMRHSZOWRULM-INIZCTEOSA-N 442.903 4.194 5 20 IIBD O=C(CCCOc1ccc(I)cc1)Nc1ccc([N+](=O)[O-])cc1F 608870690 OUPLWVJQJJJOKZ-UHFFFAOYSA-N 444.200 4.136 5 20 IIBD CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)cc1 609726593 QWVPORIJRCTDPH-NHCUHLMSSA-N 444.532 4.093 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cc1F 609770397 PPSKMFBEUJPNEX-CYBMUJFWSA-N 433.461 4.101 5 20 IIBD CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] 609894579 ICNYGBDCQVVJEQ-ZUOKHONESA-N 428.876 4.401 5 20 IIBD CCN(C(=O)COc1ccc([N+](=O)[O-])cc1Br)[C@@H](C)c1ccc(F)cc1 609962135 XKWWWSYMAXOXGX-LBPRGKRZSA-N 425.254 4.485 5 20 IIBD CCCc1[nH]nc(C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)c1[N+](=O)[O-] 609987748 YDEAWXFZRGFGPU-UHFFFAOYSA-N 433.896 4.239 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NC(c1cccs1)c1cccs1 609993145 KRTONBYOHQXTIP-UHFFFAOYSA-N 435.914 4.007 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C)c(OCC2CCOCC2)c1 610156634 XKAQKMIDDQUJLI-UHFFFAOYSA-N 434.514 4.072 5 20 IIBD COc1ccccc1-c1ccc([C@H](C)NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 610204718 YNDHQBJIMOSEOT-IRXDYDNUSA-N 447.491 4.266 5 20 IIBD COC(=O)c1cc(NS(=O)(=O)c2ccc(OC(C)C)c3ccccc23)cc([N+](=O)[O-])c1 610336349 KXZGBDWZGMUOON-UHFFFAOYSA-N 444.465 4.123 5 20 IIBD COC(=O)Cc1cccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)n1 616204001 JXUOQPMCTGKSPI-UHFFFAOYSA-N 446.257 4.340 5 20 IIBD COc1cc(Oc2ccccc2)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC 619468028 SSFFFVJUXURFAC-UHFFFAOYSA-N 430.438 4.205 5 20 IIBD C[S@](=O)c1ccc(CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])cc1 619655606 PCPSBFXJGPEDKU-LJAQVGFWSA-N 426.519 4.413 5 20 IIBD COc1cc(OC)cc(C2(F)CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)c1 619810399 JRZJVYLFKFHQMT-UHFFFAOYSA-N 445.491 4.210 5 20 IIBD O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCO[C@@H](c2ccccc2Br)C1 725729553 WURFYJNLJYGKIZ-GOSISDBHSA-N 430.258 4.052 5 20 IIBD CC(C)[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)N1C[C@@H](C)C[C@@H](C)C1 725985396 IAKAQAZALHTGAU-AHIWAGSCSA-N 441.322 4.043 5 20 IIBD CCn1cc(Br)cc1C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 726818121 CCEAYVBEOGTUEW-VIFPVBQESA-N 444.669 4.016 5 20 IIBD Cc1c(C(=O)N[C@@H]2CCc3c(Br)cccc32)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 727714415 CDCQWDPKBGHHDN-OAHLLOKOSA-N 434.246 4.300 5 20 IIBD COc1cc(COC(=O)c2cnc(-c3ccccn3)s2)c([N+](=O)[O-])cc1OC(F)F 727890116 SBGAFZUYMYIQDD-UHFFFAOYSA-N 437.380 4.080 5 20 IIBD O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)[C@H](OC1CCCC1)c1ccccc1 729195688 SGFVCLJYXFXOJN-JOCHJYFZSA-N 439.512 4.450 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 729814237 UHIPYRYJDILCLR-CABCVRRESA-N 444.484 4.239 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCC(c3nnc(S)n3C)CC2)cc1[N+](=O)[O-] 731635122 XVLSGFTZZQEGJS-UHFFFAOYSA-N 449.602 4.170 5 20 IIBD CCc1ccc(-c2csc(NC(=O)COC(=O)c3cc(F)cc([N+](=O)[O-])c3)n2)cc1 732347061 ANYMEKRBELETRY-UHFFFAOYSA-N 429.429 4.215 5 20 IIBD CC(C)Oc1ccc([C@@H](O)CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1 734873463 DCCZVCBSHWWOEE-DEOSSOPVSA-N 449.507 4.458 5 20 IIBD O=C(CCCc1nnc(-c2ccccc2)o1)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 735445640 PEAAXUUSZYIBMW-UHFFFAOYSA-N 434.408 4.366 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 736864927 VKGWSNNQOUCTIB-AWEZNQCLSA-N 442.859 4.235 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)[C@H](C)N2[C@@H](C)CC[C@H]2C)c2ccccc2)c([N+](=O)[O-])c1 741022554 RVIBCZOJCRIWCC-RQXXJAGISA-N 439.512 4.388 5 20 IIBD O=[N+]([O-])c1ncccc1S(=O)(=O)Oc1ccc(-c2ccc(Br)cc2)cc1 742270722 KSDQMUILKWABRV-UHFFFAOYSA-N 435.255 4.187 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 742281496 GVAVGTVTHSKWPT-UHFFFAOYSA-N 448.284 4.409 5 20 IIBD C[C@H]1[C@H](c2ccccc2)C[C@@H](C)N1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 742308014 BBEOXTHNILZNAQ-DVOMOZLQSA-N 439.331 4.313 5 20 IIBD CN(C(=O)OC(C)(C)C)c1ccc(OC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1 742765776 RKXLJXHYQHSLHM-UHFFFAOYSA-N 438.440 4.371 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 742887791 QSQJAHTXNPXXLB-LBPRGKRZSA-N 429.429 4.162 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2cc(C3CC3)n(C)n2)c2ccccc2)c([N+](=O)[O-])c1 745266022 YPGVJSJNROXBMM-OAQYLSRUSA-N 434.452 4.051 5 20 IIBD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)ccc1NC(=O)CC(C)C 745295305 GYYZINYDLCQLST-CQSZACIVSA-N 445.447 4.211 5 20 IIBD CCN(CC1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1)C(=O)OC(C)(C)C 745647167 NBWKIGWOHYQUCH-INIZCTEOSA-N 434.537 4.334 5 20 IIBD Cc1cccc(-c2nnc(S)n2CCC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 747450390 PUSCUBYCKKRXHG-UHFFFAOYSA-N 437.525 4.032 5 20 IIBD CC(C)(C)OC(=O)N1CCC(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 750782403 DYCQJIGAMIGGML-UHFFFAOYSA-N 446.529 4.095 5 20 IIBD Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1 751659967 LQZNARBVXXCXGM-UHFFFAOYSA-N 436.376 4.386 5 20 IIBD C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 754060039 MECCCDZLQFWWGQ-QZEGLACASA-N 441.440 4.106 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cccc(-c3ccccn3)c2C)c([N+](=O)[O-])c1 755027614 URHXSLQGCOKQDY-OAHLLOKOSA-N 435.436 4.158 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 755073625 DCGYRPSAMUQQLW-UHFFFAOYSA-N 435.392 4.294 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)COc1c(Cl)cccc1[N+](=O)[O-] 755323045 YWJVZNFMBPHCHU-WMZOPIPTSA-N 436.892 4.124 5 20 IIBD Cc1cccc(Cl)c1NC(=O)COC(=O)c1ccc(Br)cc1[N+](=O)[O-] 757719201 XOVNNBXGVOLMGU-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])cn1)O[C@H](c1cccc(F)c1)c1cccc(Br)c1 758075672 KUUBEXWTDXELPI-SFHVURJKSA-N 434.221 4.026 5 20 IIBD COCCO[C@@H]1CCCN([C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C1 760967216 DEQLGVUGPKXHPD-WIYYLYMNSA-N 447.919 4.055 5 20 IIBD O=C(Nc1ccccc1C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]12)c1ccc([N+](=O)[O-])cc1Cl 761412112 GZHLGQRITSAFKC-XFQXTVEOSA-N 443.887 4.188 5 20 IIBD Cc1ccccc1OCc1noc(-c2cc([N+](=O)[O-])ccc2I)n1 762246211 PTNQGDOZTBQAAL-UHFFFAOYSA-N 437.193 4.137 5 20 IIBD CC(C)[C@@H](OC(=O)c1cc([N+](=O)[O-])c2nsnc2c1)C(=O)Nc1ccccc1Cl 762967489 JWWLKJVHNSHMJR-MRXNPFEDSA-N 434.861 4.073 5 20 IIBD CCCC(=O)Nc1ccc(C(=O)COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cc1 762990631 REAQVRZEAXAXRD-UHFFFAOYSA-N 430.432 4.176 5 20 IIBD CCN(C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 763006155 DWGIGOQMMBYPRH-GFCCVEGCSA-N 430.404 4.045 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@]2(CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C2)C1 765346841 DMLGUZBPQKAOEX-NRFANRHFSA-N 431.514 4.283 5 20 IIBD COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)Cc1c(Br)cccc1[N+](=O)[O-] 769526831 MTSJLSNHZIYLAU-MRXNPFEDSA-N 447.207 4.121 5 20 IIBD Cc1cn(-c2ccccc2)nc1C(=O)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C 769759448 BXCQLRCPMCKXAZ-UHFFFAOYSA-N 446.467 4.190 5 20 IIBD CN(CC(=O)Nc1ccccc1Cl)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] 774661333 YBOZTMCRMVSKOG-UHFFFAOYSA-N 438.740 4.372 5 20 IIBD Cn1cc(CN2CCC(O)(c3ccccc3Cl)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 775133250 PJSVOIAYVWRZHI-UHFFFAOYSA-N 426.904 4.132 5 20 IIBD Cn1cc([C@@H](NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c2ccc(F)cc2)cn1 775693633 ZBFDYTFHYJNZLC-KRWDZBQOSA-N 448.252 4.141 5 20 IIBD COc1cc(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c([N+](=O)[O-])cc1OCc1cscn1 777133205 BIUCRAFQYNLZBW-UHFFFAOYSA-N 444.425 4.108 5 20 IIBD Cc1cc(C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)nc(C(F)(F)F)n1 777414129 OQULMYLNNFIWIW-UHFFFAOYSA-N 446.341 4.184 5 20 IIBD O=C(N(CCc1ccccn1)Cc1ccc(F)cc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 777982342 QPAUVFGLGKRWGO-UHFFFAOYSA-N 429.398 4.492 5 20 IIBD CCCOc1cc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c([N+](=O)[O-])cc1OCCC 779336935 BPGCLYUXDJOBER-UHFFFAOYSA-N 447.400 4.062 5 20 IIBD Cc1nc(-c2ccccc2)ccc1C(=O)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 780330451 VTUCDRVJPFJBMJ-UHFFFAOYSA-N 439.855 4.205 5 20 IIBD C[C@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@@H](C)CN1C(=O)OC(C)(C)C 780990935 VDUDKJYYEIHYBN-HOTGVXAUSA-N 435.524 4.151 5 20 IIBD C[C@H](OC(=O)c1ccc(I)c([N+](=O)[O-])c1)c1nc2ccccc2o1 781824053 AOPDAXJNEHUQGW-VIFPVBQESA-N 438.177 4.259 5 20 IIBD CCc1cc(O)nc(-c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3Br)c2)n1 782122255 FTWRBKGPFBPRDY-UHFFFAOYSA-N 443.257 4.335 5 20 IIBD Cn1cc(-c2ccc(F)c(C(=O)O[C@@H](c3cccnc3)c3ccccc3[N+](=O)[O-])c2)cn1 782427220 UXRILBWULCIBNZ-QFIPXVFZSA-N 432.411 4.476 5 20 IIBD CC[C@@H](C(=O)N1CCC(Nc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1)c1ccccc1 784137325 KSQFMYNCQVIJJH-GOSISDBHSA-N 427.501 4.209 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@@H]21 784506551 SCVVBDORSDPWSV-LSTHTHJFSA-N 442.516 4.375 5 20 IIBD COc1cc(C(=O)O[C@H](C)c2noc(-c3ccccc3)n2)c([N+](=O)[O-])cc1OC(F)F 784646834 ACMKUMOKZSPYOQ-SNVBAGLBSA-N 435.339 4.173 5 20 IIBD Cc1ccccc1[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br)C1CC1 784704896 IORJWFFDZWTRLG-GOSISDBHSA-N 446.301 4.180 5 20 IIBD CC1([C@H]2CCCN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)C2)OCCO1 784780312 XKCHWSLQSMPZEU-KRWDZBQOSA-N 428.510 4.361 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)[C@H]1CC12CCOCC2 786452405 JFTAIRFICGPKAT-VQIMIIECSA-N 444.871 4.288 5 20 IIBD O=C(NCc1ccnc(Oc2ccccc2F)c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 787715425 FIPJEEDOKFHYJY-UHFFFAOYSA-N 436.443 4.451 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)C2CCCC2)cc1 790539598 RCHRLBZOADNHBR-UHFFFAOYSA-N 440.880 4.285 5 20 IIBD CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccc(F)cc1Br 792457118 GBVXQUORHRMZFT-UHFFFAOYSA-N 428.233 4.096 5 20 IIBD O=C(O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1cc2sc(N3CCCC3)nc2s1 796768210 ZXSUSQATPSCNAD-QWHCGFSZSA-N 447.542 4.403 5 20 IIBD CC(C)N(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(CC(=O)N(C)C)cc1 799447517 IDNKWYZCUIRTTL-UHFFFAOYSA-N 437.418 4.300 5 20 IIBD CC1(C)CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)[C@H]1c1cccs1 805149605 KDUXRZUCTPEXAT-AWEZNQCLSA-N 431.333 4.191 5 20 IIBD CN(C)C(=O)Sc1cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1Cl 805435929 QHNNZYPMUXSCPM-UHFFFAOYSA-N 437.861 4.045 5 20 IIBD C[C@@H](Cc1cncc2ccccc12)C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 805681303 XYWSDAPZSRVVEE-ZDUSSCGKSA-N 427.844 4.157 5 20 IIBD O=C(OC/C=C/c1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 809101924 PFIREXIXDNGETH-XYBNCVKDSA-N 439.251 4.356 5 20 IIBD COC(=O)C[C@@](C)(NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1cccc(OC)c1 809985578 NRZKNDYCSARJGR-LJQANCHMSA-N 427.284 4.478 5 20 IIBD CCCc1[nH]nc(C(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-] 814247619 ONDVISFDVOVCCZ-UHFFFAOYSA-N 448.523 4.059 5 20 IIBD O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)Oc1ccc(F)cc1Br 814976128 HJPUFWOJPYUJHD-UHFFFAOYSA-N 428.594 4.057 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCCCN1C(=O)c1ccccc1 815167715 MJQSAJGWZZLVSW-SFHVURJKSA-N 436.386 4.352 5 20 IIBD CS(C)(=O)=Nc1ccc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 820353686 IIISXHWPVKNBMC-UHFFFAOYSA-N 444.435 4.413 5 20 IIBD CCOc1ccc(N2C(=O)/C(=C/Nc3ncc([N+](=O)[O-])s3)c3ccccc3C2=O)cc1 912745090 UESBJLPMNLOOAW-GZTJUZNOSA-N 436.449 4.090 5 20 IIBD CC(C)(C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(Br)cc1 915584580 FBUYQRKMQCRTQY-UHFFFAOYSA-N 446.257 4.428 5 20 IIBD COc1ccc2cc(CN(C)C(=O)COC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)ccc2c1 917263457 PBTKRLUGSVWNFK-UHFFFAOYSA-N 448.431 4.318 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N[C@H]1CCSc2c(F)cccc21 917874890 IHDYUEKXHIGBFA-LBPRGKRZSA-N 447.307 4.012 5 20 IIBD CCOC(=O)c1cc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)ccc1Cl 917883539 SMEVCJRZIHJDBD-UHFFFAOYSA-N 427.638 4.440 5 20 IIBD Cc1cc(Cl)ccc1N1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2OC(F)F)NC1=S 920836707 KBLYBDFRHOSZFB-MDWZMJQESA-N 439.827 4.420 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(Sc2ncc(-c3ccccc3)o2)c([N+](=O)[O-])c1 1324580539 OTILDMNAVGRIQF-UHFFFAOYSA-N 433.511 4.432 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c2ccc(F)cc2n1 1337345544 MFBJNCDFJATZFL-NSHDSACASA-N 431.807 4.428 5 20 IIBD COc1cccc(-c2nn(Cc3ccccc3)cc2COC(=O)c2cc([N+](=O)[O-])cn2C)c1 1342631123 ADJGUAWQZRWYPS-UHFFFAOYSA-N 446.463 4.211 5 20 IIBD Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])o4)CCC3)cc2)cn1 1786836511 SOEKWNZOUBOLBQ-UHFFFAOYSA-N 448.479 4.272 5 20 IIBD Cc1ocnc1C(=O)Nc1ccc(C2(NC(=O)c3cccc(F)c3[N+](=O)[O-])CCC2)cc1 1789893964 PHZCDQFJOWJKRB-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC([C@@H]2CCCCN2C(=O)CC2CCCC2)CC1 1826264888 XKAYFVAEXRUCIW-QFIPXVFZSA-N 443.544 4.114 5 20 IIBD CC(C)(C)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1826333098 YMNBMNNABLKMCD-QRBZPYHOSA-N 431.533 4.257 5 20 IIBD Cc1c(C(=O)N2CC3(CCCN3C(=O)c3cccc(Cl)c3)C2)cc(Cl)cc1[N+](=O)[O-] 1844904037 ZWLJXMNNCCZGSW-UHFFFAOYSA-N 448.306 4.341 5 20 IIBD O=C(COC(=O)c1occc1COc1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl 12189318 NPOULBFRCFQBKB-UHFFFAOYSA-N 430.800 4.216 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1[N+](=O)[O-] 14376250 BHWIEBMHSDOAOF-MRXNPFEDSA-N 440.374 4.306 5 20 IIBD O=C(c1ccccc1)c1ccc(N[C@@H](CN2CCOCC2)c2ccccc2)c([N+](=O)[O-])c1 15143267 GJCLNRITRCMVJN-QHCPKHFHSA-N 431.492 4.311 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)O[C@H](C)C(=O)Nc2cccnc2Cl)CC1 16925235 UKFOEVXNIAMXKF-CQSZACIVSA-N 446.891 4.064 5 20 IIBD O=C(OCc1nnc(-c2ccc(Br)s2)o1)c1cc([N+](=O)[O-])ccc1Cl 18186249 PLNJPUNHDCBBTB-UHFFFAOYSA-N 444.650 4.479 5 20 IIBD COC(=O)c1ccc(OCC(=O)c2cc(C)n(CCc3cccs3)c2C)c([N+](=O)[O-])c1 22223545 XKIREHMWRCXZGM-UHFFFAOYSA-N 442.493 4.366 5 20 IIBD O=C(CCN1CCN(c2ccccc2[N+](=O)[O-])CC1)Nc1ccccc1-c1ccccc1 24897118 SBJFZYGEIKQFLU-UHFFFAOYSA-N 430.508 4.413 5 20 IIBD COC(=O)c1ccc(COC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)o1 28870741 BGHLEICNDBXZFD-UHFFFAOYSA-N 434.451 4.248 5 20 IIBD Cc1nc2c3ccccc3nc(S[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2n1 45698876 XOBLIZFUZXGAHL-SNVBAGLBSA-N 442.888 4.267 5 20 IIBD CCCCN(C(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 58531224 KFCLXDVPEXQZDR-QGZVFWFLSA-N 442.603 4.162 5 20 IIBD COC(=O)[C@@H](C)NC(=O)c1ccc(N[C@H]2CCC(C)(C)c3ccccc32)c([N+](=O)[O-])c1 63739201 JAQBKLMDPCUKBC-KDOFPFPSSA-N 425.485 4.111 5 20 IIBD CNc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)cc1[N+](=O)[O-] 69063760 UKBDPKYLKZDEQT-XMMPIXPASA-N 447.491 4.442 5 20 IIBD Cc1cc(C(=O)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)c(C)n1CCc1cccs1 72086087 OIFBVATYTDKPIR-UHFFFAOYSA-N 435.509 4.459 5 20 IIBD O=C(c1ccc(Br)c([N+](=O)[O-])c1)N(Cc1cccs1)C[C@H]1CCCO1 104919736 LAJORQIOVHEZHM-CYBMUJFWSA-N 425.304 4.240 5 20 IIBD CSc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 105033759 XKYPYIWOKBPTFP-UHFFFAOYSA-N 443.506 4.370 5 20 IIBD O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1ccc(Br)c([N+](=O)[O-])c1 109203725 PWPOKTCWIKOBDF-UHFFFAOYSA-N 438.241 4.319 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc(C)c1C 109991214 BAHLBSRYLIFVDW-UHFFFAOYSA-N 426.347 4.192 5 20 IIBD CCOc1ccc(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1S(=O)(=O)N(C)C 301078219 QTYYVIAYKYPDJP-UHFFFAOYSA-N 433.408 4.006 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c([N+](=O)[O-])c1 301346638 JZCNYGONGBSJHG-IOMROCGXSA-N 445.541 4.035 5 20 IIBD Cc1cc(N2CCCN(c3nnc(C(F)(F)F)s3)CC2)c2cccc([N+](=O)[O-])c2n1 302731749 WOYBSQZJZMFCKR-UHFFFAOYSA-N 438.435 4.038 5 20 IIBD Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2Br)n(-c2ccc([N+](=O)[O-])cc2)n1 303470865 QNQUYGHTXVTZEE-CYBMUJFWSA-N 445.273 4.257 5 20 IIBD Cc1c(S(=O)(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cnn1-c1ccc(Cl)cc1 430070326 KBRACFYIRPKACN-UHFFFAOYSA-N 449.901 4.153 5 20 IIBD O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H]1c1ccc(Br)c(F)c1 430215814 HNGCIHUBTHEDJB-RHSMWYFYSA-N 439.281 4.073 5 20 IIBD C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CC[S@@]1=O 430352002 CXUGXUBJCDCXIF-OIJAAMDRSA-N 438.958 4.383 5 20 IIBD Cc1cc(-c2noc([C@@H](C)NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)n2)ccc1F 431503709 BPTIHFQAFKBZRE-SNVBAGLBSA-N 449.236 4.346 5 20 IIBD CCN([C@H](c1cccnc1)c1ccc(F)cc1F)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 431919478 ABIUNWSZKSTFDJ-OAQYLSRUSA-N 447.463 4.209 5 20 IIBD COC(=O)COc1ccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1Cl 433580607 KZQPTJFSVZBXEC-UHFFFAOYSA-N 447.856 4.176 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(OCc2nc(-c3ccccc3)cs2)c([N+](=O)[O-])c1 435783752 ZHQKBZJOXYLYMH-UHFFFAOYSA-N 447.538 4.328 5 20 IIBD CCOc1cc(-c2noc(-c3cccc(OC)c3[N+](=O)[O-])n2)cc(Br)c1O 436872771 NNFUAWIWKZMMAD-UHFFFAOYSA-N 436.218 4.187 5 20 IIBD O=C(CNc1ccccc1[N+](=O)[O-])NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 437018023 LGCHUBCWSIBULE-UHFFFAOYSA-N 436.415 4.465 5 20 IIBD O=C(NCc1nccn1CCCc1ccccc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437346550 NIUUFQOKFQPZLX-UHFFFAOYSA-N 432.402 4.373 5 20 IIBD C[C@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H](OC1CCOCC1)c1ccccc1 437434081 TWNSEIJIOXHJKW-HTAPYJJXSA-N 441.528 4.455 5 20 IIBD COc1cccc(-c2noc([C@@H](C)NC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)n2)c1 437993085 LUQOOFIAQKXXHS-CQSZACIVSA-N 437.456 4.089 5 20 IIBD COc1c(Cl)cc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1Cl 438652210 AMKUPOYJFYGVRT-UHFFFAOYSA-N 440.283 4.286 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(COCC(F)(F)F)c1 439873980 PODANXXBDQRUMJ-UHFFFAOYSA-N 427.379 4.394 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1)N(C[C@@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F 440442180 JGYKYZYVAAVGJF-LJQANCHMSA-N 435.446 4.050 5 20 IIBD CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 441952861 NBUFQHBPOPQICN-AWEZNQCLSA-N 436.898 4.064 5 20 IIBD COc1ccccc1CN(C[C@H]1CCCO1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 443865217 AZMSPWOWVYJULX-MRXNPFEDSA-N 438.402 4.444 5 20 IIBD O=C(NCc1cc(O)nc2ccccc12)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444085407 MKBNHBCQGBIIDU-UHFFFAOYSA-N 431.398 4.143 5 20 IIBD CN1CC[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)[C@@H]1c1ccccc1 444284939 HPSPAOWTVBFXHA-OFNKIYASSA-N 433.458 4.135 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 444924690 UCONSURQHLKOTE-UHFFFAOYSA-N 427.436 4.229 5 20 IIBD CCN(C(=O)Cc1noc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1)c1ccccc1 445672511 ATYULXFJFTZARU-UHFFFAOYSA-N 435.465 4.364 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CCSc2c(F)cccc21 445746489 ASSVZPFHFHFUGN-OAHLLOKOSA-N 425.279 4.392 5 20 IIBD CCN(Cc1ccccc1)C(=O)Cc1noc([C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n1 445792356 ZKITXGPNSYBNHZ-AWEZNQCLSA-N 444.875 4.362 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OC3CCCC3)c(F)c2)cc1OC 460422795 RLCHKGRYLDAXRW-UHFFFAOYSA-N 448.447 4.341 5 20 IIBD CC(C)c1ccc(C[C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)C2)cc1 461198327 OIZPFRJMLXZJOT-FQEVSTJZSA-N 437.540 4.260 5 20 IIBD C[C@H](CC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc(F)c(Br)c1 462337558 DFEGQTNPDFGMIF-SNVBAGLBSA-N 435.253 4.183 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(Br)ccc1-n1cncn1 462493926 YMTYLTKQGSOYFP-AWEZNQCLSA-N 444.289 4.145 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(-c2ccc(Cl)cc2)nn1CCO 462514816 VQLSQWUZZFUILP-INIZCTEOSA-N 442.903 4.311 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)Nc1cc2c(cn1)CCCC2)c1ccccc1[N+](=O)[O-] 464069561 ZJSVWNNBAXIESF-SFHVURJKSA-N 426.473 4.073 5 20 IIBD CS(=O)(=O)c1cccc([C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2)c1 464380753 YRRYIEUZIOUKBZ-FQEVSTJZSA-N 444.896 4.171 5 20 IIBD CCc1ccc([C@@H](C)NC(=O)[C@@H](C)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 464778393 NXWXEZPGAXNEMK-QZTJIDSGSA-N 425.529 4.266 5 20 IIBD Cc1ccc(C(=O)Nc2cccc(CNC(=O)NCCc3ccccc3[N+](=O)[O-])c2)cc1 465681022 GVDJWRPHDQWQDX-UHFFFAOYSA-N 432.480 4.197 5 20 IIBD CCCOc1cc(NC(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(F)(F)F)c([N+](=O)[O-])cc1OCCC 467853063 PKTZTYKEFAEZCN-KNCCTNLNSA-N 446.422 4.467 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCOc3ccc(Br)cc32)cc1SC 468205537 IRCBNVMRCLLGJI-UHFFFAOYSA-N 439.287 4.127 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCOc2ccc(Br)cc21 468208664 JJRDBRFCVJLKKG-UHFFFAOYSA-N 442.063 4.159 5 20 IIBD Cc1nc(CNC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)oc1-c1ccc(Cl)cc1 468670824 FGDYVCVFWRGMJM-UHFFFAOYSA-N 442.859 4.184 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N(CC(F)(F)F)[C@H]3CCOC3)cc2[N+](=O)[O-])n1 469051113 PKCJCBRHXHIWDZ-LBPRGKRZSA-N 447.460 4.304 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1nnc(-c2cc3ccccc3o2)s1 469062276 UKJQLAACJZYPDG-UHFFFAOYSA-N 436.858 4.314 5 20 IIBD CC(C)(C(=O)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1)n1cc([N+](=O)[O-])cn1 470330551 NMKLKZRCGWRAON-UHFFFAOYSA-N 430.814 4.047 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@H]1CCCC[C@@H]1n1cccn1 470685165 XLFZFSKGDQMSQX-KBPBESRZSA-N 428.436 4.202 5 20 IIBD O=C(NCCc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 471089547 TYWUTDHPNYHPSV-UHFFFAOYSA-N 427.507 4.105 5 20 IIBD NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 471406022 IQKMHKIPOFBMQJ-AZOIQLNYSA-N 445.928 4.125 5 20 IIBD COC(=O)COc1ccc(CNc2cccc(C(=O)N(C)c3ccccc3)c2)cc1[N+](=O)[O-] 475107206 HGQMQOUHJCAIOD-UHFFFAOYSA-N 449.463 4.035 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3occc3-c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] 477367404 RSTMOJLECASJNT-UHFFFAOYSA-N 439.443 4.355 5 20 IIBD C[C@H](Nc1ccc2c(c1)CCC(=O)N2CC1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 478413958 FBJMWPKDAIKGRP-ZDUSSCGKSA-N 442.903 4.377 5 20 IIBD O=C(N[C@H](CO)c1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])cc1Br 478496109 XHVHBKUUWCDBTL-CYBMUJFWSA-N 434.073 4.128 5 20 IIBD COC(=O)C[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 479407617 KZGXMHFYKRZNFX-INIZCTEOSA-N 442.415 4.126 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C(C)C)N2CCc3ccccc3C2)cc1SC 482540354 BQQWLVGULIRESK-FQEVSTJZSA-N 443.569 4.138 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCc2c(ncn2-c2ccccc2)C1 482698105 UVUDNWNJGMBZIR-UHFFFAOYSA-N 431.477 4.103 5 20 IIBD COC(=O)c1cc(C(C)(C)C)sc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 483021417 KFSIWCSKINKHLI-UHFFFAOYSA-N 428.470 4.178 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(CCc2ccccc2C)[nH]n1 484847599 LQXDYUJARJICNQ-UHFFFAOYSA-N 440.525 4.402 5 20 IIBD COc1ccc(Br)cc1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 485028697 BBZRRSLIFOHXEN-UHFFFAOYSA-N 445.216 4.240 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1Br 486151073 UQVGTPPCOOLXBZ-SECBINFHSA-N 429.654 4.425 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(NC3CCN(c4ccc(C(F)(F)F)cn4)CC3)n2)cc1 486936318 JPSFCQSTKXSGCD-UHFFFAOYSA-N 434.378 4.140 5 20 IIBD CC(C)NC(=O)c1ccc(N[C@H]2CCN(c3ccc(Br)cc3)C2)c([N+](=O)[O-])c1 488028028 KZTXMVBJYDNIQK-INIZCTEOSA-N 447.333 4.186 5 20 IIBD Cc1ccc([C@H](C)NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1[N+](=O)[O-] 488037767 GWQUYRRKYLUIJK-RDJZCZTQSA-N 428.464 4.164 5 20 IIBD CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1ccc(Sc3ccc([N+](=O)[O-])cc3)cc1)CC2 488225189 BSTRFOHITFJVFV-LEWJYISDSA-N 442.537 4.138 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1ccc(OC[C@@H]2CCCO2)cc1 488337454 JHMDSECPFHYCKR-SFHVURJKSA-N 439.390 4.493 5 20 IIBD CC(C)(NC(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1)c1ccccc1[N+](=O)[O-] 488386958 GXFUWYBAGLAKIW-UHFFFAOYSA-N 432.471 4.072 5 20 IIBD CC(C)(C)c1ccc([C@H]2CCCN2C(=O)CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 488974538 BHDAVAFDXMTKRD-OAQYLSRUSA-N 439.560 4.089 5 20 IIBD CC(C)(NS(=O)(=O)c1cccc(Cl)c1Br)c1ccc([N+](=O)[O-])cc1 493763050 DDGKLTGHIMGROF-UHFFFAOYSA-N 433.711 4.224 5 20 IIBD CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 494870227 GZMDTBNFJNLGKW-HNNXBMFYSA-N 440.331 4.466 5 20 IIBD Nc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 499903281 YECVBBNQIIRNJI-UHFFFAOYSA-N 427.464 4.019 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)cc1SC 500118125 CWYUBDMDMSHIDI-FQEVSTJZSA-N 427.457 4.379 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 501778468 UVQNOECZCVPEIC-JOCHJYFZSA-N 442.462 4.472 5 20 IIBD COc1cc(CSc2nnc(-c3ccoc3C)o2)c([N+](=O)[O-])cc1OCC(F)F 502885048 NSSLRPMJSNAZCV-UHFFFAOYSA-N 427.385 4.491 5 20 IIBD CC1(C)CCC[C@]1(O)CNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 503928956 QBMDMEQYPDHHFM-VWLOTQADSA-N 448.523 4.047 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCOC[C@H]1c1nc2ccccc2s1 507206517 OQLAKSVTPCFJMU-IBGZPJMESA-N 440.525 4.310 5 20 IIBD CS(=O)(=O)c1cc(SCc2nn(-c3ccc(F)cc3)c3c2CCC3)ccc1[N+](=O)[O-] 507597735 IHOAKWPSXBISQI-UHFFFAOYSA-N 447.513 4.104 5 20 IIBD O=C(NC1CCCCC1)c1ccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1 509578297 HETQPGZOZLQLQW-UHFFFAOYSA-N 433.468 4.095 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CCC(Oc4ccccc4)CC3)cc2)c(C)c1[N+](=O)[O-] 510075614 VNKYUNOUFFSNCC-UHFFFAOYSA-N 434.496 4.140 5 20 IIBD CCC(CC)N(C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1CCCc2cccnc21 511277139 KYDSAPZBZOGOLC-LJQANCHMSA-N 439.512 4.398 5 20 IIBD COc1ccc(C)cc1C1(CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CCOCC1 511548461 YXSZVLSNWQPKDB-KRWDZBQOSA-N 444.553 4.257 5 20 IIBD O=C(Nc1cc(F)ccc1NC(=O)c1ccccn1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 512621815 DCKLYBZJEDUWIL-UHFFFAOYSA-N 435.415 4.208 5 20 IIBD COc1ccc(CSc2nnc(CN3CCCC3)n2Cc2ccccc2)cc1[N+](=O)[O-] 514433962 CNIZZJYZQREOOK-UHFFFAOYSA-N 439.541 4.131 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1[N+](=O)[O-] 514570797 PGSMIXBQIFDRIC-DZKIICNBSA-N 430.423 4.463 5 20 IIBD C[C@H](NC(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1)c1cccc([N+](=O)[O-])c1 516152304 GHNFAFUZQNEDPZ-HNNXBMFYSA-N 425.464 4.459 5 20 IIBD C[C@@H]1CCCCN1Cc1ccc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 518658306 WKTXIBBWGGLVKO-OAHLLOKOSA-N 437.949 4.101 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCC1CCN(Cc2ccccc2Cl)CC1 520720427 LJWFOEMLMBICRB-UHFFFAOYSA-N 440.931 4.231 5 20 IIBD COc1ccccc1[C@@H](NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 520880749 LVGWJFSXVNZXKW-DEOSSOPVSA-N 446.507 4.225 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CC[C@@H](Cc4cnn(C)c4)C3)cc2[N+](=O)[O-])cc1 531070558 ZFVLOXMQENMZJX-KRWDZBQOSA-N 436.537 4.493 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N[C@H]1CCN(c2ncccc2F)C1 531773742 GNEBMCCJDBRYSS-INIZCTEOSA-N 437.431 4.322 5 20 IIBD CCOc1ccc(Oc2ccccc2NC(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)cc1 534697841 UDOUPAVKZUOAAC-UHFFFAOYSA-N 449.463 4.083 5 20 IIBD CCC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1 534786035 MGLGLUFHKPEODL-AWEZNQCLSA-N 445.497 4.201 5 20 IIBD CN1CCC(N(C)[C@@H]2CCCC[C@@H]2N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 535089470 MRWNIPZLZHONDM-UXHICEINSA-N 437.972 4.049 5 20 IIBD CN(Cc1coc(-c2ccc(I)cc2)n1)Cc1ccccc1[N+](=O)[O-] 535281165 PBYRIOSKRYJHPS-UHFFFAOYSA-N 449.248 4.486 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)n(-c3cccc(Cl)c3)n2)cc1OC 540788776 GBYOUWWHEXDFMU-UHFFFAOYSA-N 430.848 4.402 5 20 IIBD CC(C)N(Cc1nc(O)c2ccccc2n1)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 541293710 WEBYBYZUCKZPGZ-UHFFFAOYSA-N 446.916 4.426 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H](Cc2ccccc2)c2ccccc2F)cc1 541325845 IBQHQTKKFKPKTP-QFIPXVFZSA-N 428.485 4.081 5 20 IIBD CCOc1cc(C(=O)N[C@@](C)(c2ccc(F)cc2)C(F)(F)F)c([N+](=O)[O-])cc1OC 541940630 VVOCMAHTACKFNC-SFHVURJKSA-N 430.354 4.349 5 20 IIBD Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NCCn1ccc([N+](=O)[O-])n1 542575265 ASVJCYVQCXZYHX-LLVKDONJSA-N 436.335 4.337 5 20 IIBD CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)N=c1cc[nH]cc1[N+](=O)[O-] 543764776 KOFHIECPWCKTRD-UHFFFAOYSA-N 427.436 4.083 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CCC(C(=O)Nc3cccc(F)c3)CC2)c1Br 544396939 TVIJDMBWWWSADA-UHFFFAOYSA-N 437.269 4.055 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N1CCC(F)(c2cccc(Cl)c2)CC1 545459341 QLHXQTOMKTXJQK-UHFFFAOYSA-N 431.855 4.295 5 20 IIBD COc1cc(Cc2noc([C@@H](C)Oc3ccc(Br)cc3)n2)ccc1[N+](=O)[O-] 545786117 SCPSFVFQBWROMX-LLVKDONJSA-N 434.246 4.480 5 20 IIBD O=C1C[C@H](c2noc(-c3csc(-c4ccc([N+](=O)[O-])cc4)n3)n2)CN1c1ccccc1 546417724 IYZPGDLTLCKQJV-AWEZNQCLSA-N 433.449 4.289 5 20 IIBD Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 549030277 BXYHRXHZVCOVMH-RTWAWAEBSA-N 443.507 4.401 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(=O)N3CCCCCC3)ccc2OC)c1 549295353 QAVUAHRJUPCMFU-UHFFFAOYSA-N 441.484 4.271 5 20 IIBD CN(CCCN(C)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)Cc1ccncc1 552359551 HITBYAXFXCRMON-UHFFFAOYSA-N 433.512 4.328 5 20 IIBD Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 556045425 QAJHEVVFSFAGLM-UHFFFAOYSA-N 440.477 4.138 5 20 IIBD CS(=O)(=O)C[C@H](NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)C1CC1 556260749 JDAJKCVJHZZNLJ-KRWDZBQOSA-N 442.896 4.092 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@](F)(c2cc(F)cc(F)c2)C1 560159695 QMQHRJNXRIJKID-GOSISDBHSA-N 443.219 4.275 5 20 IIBD Cc1cc(N2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 561362217 FGVRGHWAMKBQMG-HOYKHHGWSA-N 446.511 4.254 5 20 IIBD CSc1ccc([C@H](CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])N(C)C)cc1 569383092 OKECEPVSMJUNHE-UGSOOPFHSA-N 437.949 4.157 5 20 IIBD O=C1CSc2cc(-c3nc(Cc4ccc([N+](=O)[O-])cc4Br)no3)ccc2N1 570251345 OAZRSYFNKKSAQI-UHFFFAOYSA-N 447.270 4.042 5 20 IIBD Cc1cc(OCc2nc(CC(=O)Nc3c(Cl)cccc3Cl)no2)ccc1[N+](=O)[O-] 579039002 XNRJVBUSQKLBQQ-UHFFFAOYSA-N 437.239 4.353 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c(C)cc1Br 582861680 CVDRTNURUUIGKK-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD CCOc1cc(CN2CC(C)(C)[C@H]2C2CC2)ccc1OCCn1c([N+](=O)[O-])cnc1C 589517584 IWYMRONPRPVJAY-JOCHJYFZSA-N 428.533 4.198 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1ccc(NC(=O)C(C)C)cc1)c1ccccc1[N+](=O)[O-] 603568549 UHZLQNCJZZRWFT-LJQANCHMSA-N 441.484 4.002 5 20 IIBD Cc1sc2nc(CS[C@H](C)C(=O)N(C)Cc3ccccc3[N+](=O)[O-])nc(O)c2c1C 603569768 PQYZHPPGDWYQCE-CYBMUJFWSA-N 446.554 4.202 5 20 IIBD O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 603687892 GYZKYHKOJOLZKX-INIZCTEOSA-N 440.374 4.346 5 20 IIBD CCN(CC)C(=O)c1ccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1Cl 603738923 ILTUCKQHJIHJGR-UHFFFAOYSA-N 441.875 4.168 5 20 IIBD COc1ccc(CC(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc1[N+](=O)[O-] 609017047 RGLOVGFONUZYPY-GOSISDBHSA-N 425.268 4.053 5 20 IIBD Cc1ccc(NCCCNC(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)c([N+](=O)[O-])c1 610090289 YDJNMXPKDHJJIO-KNQAVFIVSA-N 426.517 4.172 5 20 IIBD COc1cc(C(=O)N(c2cccc(SC)c2)C2CCN(C)CC2)cc([N+](=O)[O-])c1OC 610175246 NVIHZNJPUCASSX-UHFFFAOYSA-N 445.541 4.075 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)Nc2nc(C(C)=O)cs2)cc1[N+](=O)[O-] 610429229 LECXQNLDWFAFPZ-UHFFFAOYSA-N 441.490 4.459 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccccc1-c1nc(C(C)(C)C)no1 726843422 DOJJVVFCIGQZTF-UHFFFAOYSA-N 438.440 4.046 5 20 IIBD C/C(=C/C(=O)N(C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1Cl 727628774 YIYDPFNNYPCEFU-LUAWRHEFSA-N 429.281 4.152 5 20 IIBD C[C@H](OC(=O)Cc1c[nH]c2cc(Cl)ccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 727910568 BPXAIJYOWDVZHW-JTQLQIEISA-N 436.251 4.496 5 20 IIBD O=C(COC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)Nc1ccc(F)c([N+](=O)[O-])c1 727926319 CMXFIBUJSVQLNR-RYUDHWBXSA-N 427.215 4.326 5 20 IIBD O=C(OCc1c(F)cccc1[N+](=O)[O-])c1ccccc1CS(=O)(=O)c1ccccc1 731262465 WIOARYRNKAWBKL-UHFFFAOYSA-N 429.425 4.065 5 20 IIBD CCc1ccc([C@H](NC(=O)COC(=O)c2ccc([N+](=O)[O-])c(F)c2)c2cccs2)cc1 731517694 SAIQZLQTZNTPKE-NRFANRHFSA-N 442.468 4.420 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccc(Br)cc1F 732028021 KPROYLVBENMZMO-SECBINFHSA-N 431.645 4.234 5 20 IIBD Cc1nn(Cc2ccc(C(=O)OCc3cc4ccccc4nc3O)cc2)c(C)c1[N+](=O)[O-] 733422649 VAWRVMPYPURGKS-UHFFFAOYSA-N 432.436 4.067 5 20 IIBD C[C@H](OC(=O)CNc1ccccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 733499133 VQVQXBWKWCZLEC-JTQLQIEISA-N 445.781 4.249 5 20 IIBD O=C(OCc1csc(-c2ccsc2)n1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 733557590 FARFGRLSDQTVOI-ZDUSSCGKSA-N 449.535 4.189 5 20 IIBD CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 733872919 NXIVMIMNHAJUCO-VLIAUNLRSA-N 425.551 4.131 5 20 IIBD CC(C)Oc1cccc([C@@H](O)CNc2ccc(I)cc2[N+](=O)[O-])c1 735075956 HNGLRBVVLDEGGU-KRWDZBQOSA-N 442.253 4.132 5 20 IIBD C[C@@H]1CN(c2ccc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cc2)CCO1 736496821 WSDHRKLYKJNTNV-GOSISDBHSA-N 427.504 4.019 5 20 IIBD CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)OC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 740219171 VQMTWLWDPNFUPH-NSHDSACASA-N 446.437 4.072 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 741001414 BOECOPVXXJJYBV-GOSISDBHSA-N 448.859 4.240 5 20 IIBD CN(C(=O)OC(C)(C)C)c1ccc(OS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 742332980 VILFTMWOQWLXMK-UHFFFAOYSA-N 442.877 4.387 5 20 IIBD CN(C(=O)OC(C)(C)C)c1ccc(OC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1 742763006 BEZFGYGCVVNNRX-UHFFFAOYSA-N 438.440 4.371 5 20 IIBD CN(Cc1nccn1Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 742784662 IZJTURBQRXUEDA-UHFFFAOYSA-N 433.512 4.102 5 20 IIBD COc1cc(CN2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)c([N+](=O)[O-])cc1OC(F)F 743865914 GVCMGLGTECHLNG-AWEZNQCLSA-N 445.463 4.036 5 20 IIBD COC(=O)[C@H](OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)c1ccc(Cl)cc1Cl 744769434 NFPALVCGMBKAPG-OAHLLOKOSA-N 443.195 4.189 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1CSc1ccc(S(=O)(=O)N2CCCCC2)cn1 746388905 IKUPRUFNNYJHGX-UHFFFAOYSA-N 427.935 4.110 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1F)c1cnn(-c2ncccc2Cl)c1C(F)(F)F 746978959 JKBLTCPICHPIRH-UHFFFAOYSA-N 444.728 4.344 5 20 IIBD CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1C 747124354 AGZDFYSSRVKXTL-NSHDSACASA-N 426.347 4.189 5 20 IIBD Cc1c(C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748630576 OMRWJYPAQXFWTD-HNNXBMFYSA-N 429.429 4.320 5 20 IIBD Cc1cccc(OC(F)F)c1NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 748641940 WCYKPBOHQZYGKU-UHFFFAOYSA-N 437.218 4.068 5 20 IIBD COC(=O)c1sc2[nH]c(/C(Cl)=C/C=C\c3ccccc3[N+](=O)[O-])nc(=O)c2c1C 750901992 UGPILSUBNHJVTH-IWAIYXLHSA-N 431.857 4.281 5 20 IIBD O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1cnn(-c2ncccc2Cl)c1C(F)F 751663650 WPYHIVUEZALMIE-UHFFFAOYSA-N 449.757 4.265 5 20 IIBD O=C(NC[C@@H]1SCCc2ccccc21)c1cc(F)cc([N+](=O)[O-])c1Br 755017152 NMOBIAZCTHKAOQ-HNNXBMFYSA-N 425.279 4.257 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 757273848 YRVHBYNDOQYDNH-UHFFFAOYSA-N 436.173 4.175 5 20 IIBD CC[C@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@H]1NC(=O)OC(C)(C)C 757871678 RYGFZSSUODQTAJ-SWLSCSKDSA-N 426.901 4.405 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 758403325 MUQVWSAFEHYYCX-WMZOPIPTSA-N 429.521 4.041 5 20 IIBD Cc1cc(F)cc(C(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c1[N+](=O)[O-] 758488329 NUVWDCSOBBWJHJ-INIZCTEOSA-N 425.382 4.065 5 20 IIBD O=C(Nc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(F)cc1F)c1ccc([N+](=O)[O-])cc1 759855986 ZUTAWLWPJSEUQN-UHFFFAOYSA-N 442.334 4.286 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1(c2ccc(F)cc2F)CCCC1 760602498 NHMQVFVGINVMRU-UHFFFAOYSA-N 429.379 4.478 5 20 IIBD Cc1c(Cc2noc(C3CCN(C(=O)/C=C\c4ccccc4)CC3)n2)cccc1[N+](=O)[O-] 762319736 LVRMGZSFOMYPOE-KHPPLWFESA-N 432.480 4.296 5 20 IIBD Cc1sc(Cl)nc1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 763306408 ROWXAUCZKOQBSP-LURJTMIESA-N 437.783 4.216 5 20 IIBD O=C(Oc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 766368332 NOCAOSFASKGVBG-UHFFFAOYSA-N 442.733 4.140 5 20 IIBD O=C(O[C@H]1CCc2c(Cl)cc(Cl)cc21)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 766848128 NHAVKYUDBSZOET-KRWDZBQOSA-N 449.246 4.399 5 20 IIBD Cc1nn(CN2CCc3c(Br)ccc(Cl)c3C2)c2ncc([N+](=O)[O-])cc12 767476180 LQGGKIUAGYABDI-UHFFFAOYSA-N 436.697 4.080 5 20 IIBD Cc1ccc(Cc2nc(C(=O)O[C@@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cs2)cc1 768659756 XHDLBXGPJMIYJC-ZDUSSCGKSA-N 443.456 4.274 5 20 IIBD COc1cc(OC)c(NCc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])cc1F 770428725 IAQHMHKBARSBFM-UHFFFAOYSA-N 434.342 4.313 5 20 IIBD C[C@@H](CCOC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1c[nH]c2ccccc12 774564250 QXWJXMKWLQXIHO-ZDUSSCGKSA-N 427.482 4.004 5 20 IIBD Cc1ncsc1/C=C\C(=O)O[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 777100604 BMXQIUIXONYPJT-DGMVEKRQSA-N 444.494 4.067 5 20 IIBD Cc1noc(-c2cc(Cl)ccc2OS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 778080608 MXCWATWFHKDPMU-UHFFFAOYSA-N 430.225 4.028 5 20 IIBD O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 778278271 WUFTWZAIABPPAU-MRXNPFEDSA-N 443.372 4.096 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 778331931 WGVDMJAHJSPHGL-ZDUSSCGKSA-N 435.839 4.375 5 20 IIBD O=C(O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)c1ccccc1OCc1cscn1 778788431 RNTSWJBYVAQGCR-SFHVURJKSA-N 425.466 4.066 5 20 IIBD COc1cc(CNCc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)c([N+](=O)[O-])cc1OC 780573953 GYWBDBUDZOXGHP-UHFFFAOYSA-N 443.500 4.153 5 20 IIBD Cc1nc(-c2ccc(CCNC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cs1 781589807 PWYHLYCILLFVGD-UHFFFAOYSA-N 440.481 4.226 5 20 IIBD Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781620333 VOOOYGVUHGMXIF-QFIPXVFZSA-N 444.447 4.287 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCc1ccccc1CN1CCCCCC1 781640465 GLHFVRQEVKXAFG-UHFFFAOYSA-N 440.500 4.128 5 20 IIBD COc1ccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1[N+](=O)[O-] 782472339 OQFUUJSTDFISFC-UHFFFAOYSA-N 431.348 4.261 5 20 IIBD CC(=O)c1cc(Br)ccc1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 783875134 INVAZLYYXHJPBH-UHFFFAOYSA-N 433.667 4.014 5 20 IIBD COC(=O)c1n[nH]c2ccc(NC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])cc12 784840195 SECMJYFTTWNYGE-UHFFFAOYSA-N 446.419 4.089 5 20 IIBD CC(C)c1[nH]nc(C(=O)N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)c1[N+](=O)[O-] 787673320 XUQQOCSGMKOWFO-UHFFFAOYSA-N 434.496 4.232 5 20 IIBD O=C(c1cnc2ccc(F)cc2c1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791172845 QLQYMNOASRNSIC-UHFFFAOYSA-N 430.233 4.243 5 20 IIBD Cc1cc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c(C(=O)NCC(F)(F)F)cc1F 794001671 ZDCONNRZMPMWLP-UHFFFAOYSA-N 438.337 4.068 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c1 794037941 LMMXZTJPJAWAKR-QGZVFWFLSA-N 443.525 4.095 5 20 IIBD COc1ccc(Nc2nn(CN(C)CCc3ccccc3[N+](=O)[O-])c(=S)s2)cc1 795643897 BWNBDURXIIDBGW-UHFFFAOYSA-N 431.543 4.466 5 20 IIBD NC(=O)c1ccc(CN[C@H](c2c[nH]c3ccccc23)C(Cl)(Cl)Cl)c([N+](=O)[O-])c1 796471017 PSMCVYYWFKARHS-MRXNPFEDSA-N 441.702 4.376 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)OCc1ncc(C(C)(C)C)o1 800937392 WUWMGJVKHJKKHL-UHFFFAOYSA-N 444.225 4.150 5 20 IIBD COc1ccc(-c2ocnc2C(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)cc1 808643860 UMTMAKHTTNMPIC-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD CC(C)(C)Sc1ccc(-c2noc(-c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)n2)cn1 809439633 DBIXEWZWMJHBFN-UHFFFAOYSA-N 434.499 4.001 5 20 IIBD C[C@H]1[C@H](C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1C(=O)OC(C)(C)C 811220279 ZTCJFTGGCAVUHR-SUMWQHHRSA-N 447.513 4.407 5 20 IIBD C[C@@H](OC(=O)c1c(N)cc(Cl)cc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 811321471 KDCOIESBXTUWSE-SSDOTTSWSA-N 432.647 4.321 5 20 IIBD O=C(NC[C@@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1)C(F)(F)F 811514883 RKDIFJZQFMSCDH-ZDUSSCGKSA-N 427.448 4.214 5 20 IIBD COCCN(C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1cccc(Br)n1 813155460 XXIRBSUXFVSVLZ-UHFFFAOYSA-N 449.088 4.352 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCN(c3ncnc4sc([N+](=O)[O-])cc34)C2)C1 814373974 AQSSUCGWBZCNKE-CABCVRRESA-N 447.561 4.463 5 20 IIBD CC(C)[C@H](NC(=O)COc1cccc(Cl)c1[N+](=O)[O-])c1ccc2c(c1)OCCCO2 814775688 SBECLDSQBVHZLP-FQEVSTJZSA-N 434.876 4.302 5 20 IIBD COc1cc(C(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)cnc1Br 815240586 OLKYYJYJKGCEIQ-UHFFFAOYSA-N 435.152 4.137 5 20 IIBD O=[N+]([O-])c1ccc(CCc2nc(-c3cc(Br)ccc3F)no2)c([N+](=O)[O-])c1 815699366 SMQOTYCXQFGGOQ-UHFFFAOYSA-N 437.181 4.240 5 20 IIBD O=C(NC[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C1)Nc1cccc(F)c1 816915508 BSFXTFDUNPBZHP-CYBMUJFWSA-N 434.855 4.061 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1ccc(C(F)(F)F)nc1Cl 817863196 XDANGNAVOAHHFZ-SECBINFHSA-N 449.838 4.237 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cccc(N4CCOC4=O)c3)cc2[N+](=O)[O-])C1 914726435 SSWPOYYVGPVYNX-HOTGVXAUSA-N 438.484 4.286 5 20 IIBD O=C(/C(=C\c1ccc(F)cc1)c1cccs1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 914739820 IRUPEMRWITYRLQ-RGEXLXHISA-N 438.484 4.080 5 20 IIBD O=C(CC[C@H]1CCCO1)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 914971067 PJWMVLDSKUKYHC-UZLBHIALSA-N 432.860 4.430 5 20 IIBD C[C@H](OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(OC(F)F)cc1 916522810 NLCKQORCUUYVSY-RYUDHWBXSA-N 425.409 4.491 5 20 IIBD O=C(COC(=O)c1ccc(Oc2ccccc2)nc1)Nc1ccc([N+](=O)[O-])cc1Cl 919386489 PCXFJORFCUXNBD-UHFFFAOYSA-N 427.800 4.231 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC(=O)N[C@@H](C)c1ccc(Cl)cc1 920778432 RRZZYLMRKAKWHG-RYUDHWBXSA-N 441.267 4.090 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1nc(C2CC2)n(-c2ccccc2)n1 1115949613 MQQPKJIVDNTDTC-UHFFFAOYSA-N 432.465 4.429 5 20 IIBD Cc1c(Br)cc(-c2nnc(CCCNC(=O)OC(C)(C)C)o2)cc1[N+](=O)[O-] 1118419296 SAAKKBAXGPCXAI-UHFFFAOYSA-N 441.282 4.173 5 20 IIBD Cc1cc(C(=O)NC2CCN(Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)CC2)no1 1253997801 UJDZXKAWSXAROU-UHFFFAOYSA-N 449.511 4.054 5 20 IIBD Cc1cc(CSc2ncccc2-c2nnc(COc3ccccc3[N+](=O)[O-])o2)no1 1322150802 CMHRENMSHOQXFP-UHFFFAOYSA-N 425.426 4.208 5 20 IIBD Cc1c(-c2nnc(-c3ccc(Br)s3)o2)nnn1-c1cccc([N+](=O)[O-])c1 1328546044 LFZRAPUBNCEYKJ-UHFFFAOYSA-N 433.247 4.025 5 20 IIBD Cc1ccn(-c2cccc(C(=O)N(Cc3nnc(-c4cccc([N+](=O)[O-])c4)o3)C(C)C)c2)n1 1354082391 ZNLVOERDRLGCPX-UHFFFAOYSA-N 446.467 4.190 5 20 IIBD O=C(CC(F)(F)F)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)CCC1 1790623972 SWVCCRPIHDSNJH-UHFFFAOYSA-N 439.365 4.434 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2)CC1 1830023836 ACTFEHOQGNJVHF-SFHVURJKSA-N 445.903 4.388 5 20 IIBD C[C@@H](C(=O)N1CC2(CCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1)c1ccc(Cl)cc1 1845402307 ONADKTLSCHBXMY-CQSZACIVSA-N 445.878 4.008 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nnc3n2CCCCCC3)cc1 11375567 SOJYQFYTCMAELP-UHFFFAOYSA-N 434.500 4.411 5 20 IIBD O=C(c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2)N1CCOCC1 14209911 YEFSUWWQGDDGEG-FBMGVBCBSA-N 429.476 4.492 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Sc2ncnc3sc4c(c23)CCC4)c([N+](=O)[O-])c1 16717505 KUPCNQKOFJMUEK-SNVBAGLBSA-N 430.511 4.216 5 20 IIBD COc1ccc([C@H](NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C(C)C)cc1 18087823 KRZSOKDSEAAVNF-LJQANCHMSA-N 441.513 4.010 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1OC 28174365 PDRRLLIVOIHAEC-HNNXBMFYSA-N 430.457 4.111 5 20 IIBD COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 58433734 LADUGJHYZPMFFL-FQEVSTJZSA-N 439.512 4.025 5 20 IIBD CCCCN1C(=O)C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H]1c1ccc(OC)cc1 60524703 YRQWFPQABMPNRO-XMSQKQJNSA-N 425.485 4.240 5 20 IIBD O=C(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)Nc1ccc(Cl)cc1C(F)(F)F 72086071 FNMOHKPFVVPGMZ-UHFFFAOYSA-N 425.754 4.164 5 20 IIBD Cn1ccnc1C(=O)c1ccc(Sc2nc(C3CC3)n(-c3ccccc3)n2)c([N+](=O)[O-])c1 78987788 IWWYSMBPWYYXBM-UHFFFAOYSA-N 446.492 4.169 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)cc1[N+](=O)[O-])c1ccccn1 108830121 VMAHDEPAPCQBDD-INIZCTEOSA-N 447.495 4.046 5 20 IIBD COc1ccc(-c2ccc(CNCc3ccc(OC)c(NC(C)=O)c3)o2)c([N+](=O)[O-])c1 237433219 UXTWBYJNAVTEIT-UHFFFAOYSA-N 425.441 4.120 5 20 IIBD O=[N+]([O-])c1ccc(N2CCO[C@@H](c3ccc(F)c(F)c3)C2)nc1OCc1ccccc1 302149599 ARVXGEDJHITDJX-HXUWFJFHSA-N 427.407 4.425 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)Sc1ccc(Br)cc1 303422670 VALJIZGQQSTRLU-NSHDSACASA-N 425.304 4.277 5 20 IIBD CCCCn1c(SCCC(=O)Nc2ccccc2[N+](=O)[O-])nc2ccccc2c1=O 409850881 WRWOBDQDLLLXCA-UHFFFAOYSA-N 426.498 4.226 5 20 IIBD O=C(O)[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1cnc(-c2ccsc2)s1 426738580 XGMIEXOXUZDRKN-KRWDZBQOSA-N 428.495 4.047 5 20 IIBD COc1ccc([C@H](CC(=O)O)NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1OC 426807838 PLEQDNAVKVULTN-KRWDZBQOSA-N 426.425 4.178 5 20 IIBD CC(C)[C@H](NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C(=O)O 427319700 HFMIUXLHFKRICQ-RNTFSAEZSA-N 439.493 4.361 5 20 IIBD COc1ccc(Br)c(CN(C)C(=O)c2cccc(SC)c2[N+](=O)[O-])c1 429035479 NRUCOUFKQUHAQG-UHFFFAOYSA-N 425.304 4.360 5 20 IIBD CCCNC(=O)[C@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)c2ccccc2O1 429980816 UIPNXNIKXOGJLJ-HXUWFJFHSA-N 438.509 4.012 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 432042236 VYXUTSHSSPVZIL-MRXNPFEDSA-N 444.557 4.000 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3cc(C)cc4cccnc34)CC2)ccc1[N+](=O)[O-] 432279250 CNDKDJARCJENQW-UHFFFAOYSA-N 435.484 4.204 5 20 IIBD CCCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H](C)C(=O)Nc1ccccc1 432682201 YVSLFBKJNSXKNC-CYBMUJFWSA-N 434.290 4.237 5 20 IIBD COC(=O)C[C@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(F)c1 433582026 SNUNZRDMFREEMB-DIFFPNOSSA-N 440.880 4.289 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F 436466312 PMHFKGCFEAFOMT-QGZVFWFLSA-N 448.756 4.121 5 20 IIBD CCCn1ccc2ccc(NC(=O)NCCc3cc(OC)c(OC)cc3[N+](=O)[O-])cc21 438290493 CXMIMDPUQICSBU-UHFFFAOYSA-N 426.473 4.341 5 20 IIBD COc1ccc(Cl)cc1-c1cc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n[nH]1 439163677 SWTXAPUOBBNXOZ-UHFFFAOYSA-N 440.765 4.918 5 20 IIBD O=C(NCC(=O)N1CCc2ccccc21)c1ccccc1Sc1ccccc1[N+](=O)[O-] 440732148 MACVGHTVGAPLFE-UHFFFAOYSA-N 433.489 4.065 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3nc(-c4ccc(OCC(F)F)cn4)no3)cs2)cc1 442689197 RVIPMGOLOQVDMH-UHFFFAOYSA-N 431.380 4.474 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Cc1ncc(-c2ccccc2F)o1 443184943 PKOBZQXHMSXZMP-UHFFFAOYSA-N 441.234 4.125 5 20 IIBD Cc1ccc(NC(=O)C(=O)N2CCC(c3ccccc3Br)CC2)cc1[N+](=O)[O-] 443655976 LTSWLKVFMPQUQE-UHFFFAOYSA-N 446.301 4.010 5 20 IIBD COc1cc(NC2CCN(C(=O)c3ccc(SC)c([N+](=O)[O-])c3)CC2)cc(OC)c1 443787342 HMOMRAQXTSHKLN-UHFFFAOYSA-N 431.514 4.051 5 20 IIBD Cc1ccn(-c2ccccc2CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)n1 444239569 OPRRBBLYBDZIJU-UHFFFAOYSA-N 444.441 4.384 5 20 IIBD CC(C)(C)OC(=O)C1CCC(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC1 444295415 SQVBPPRHRMAFCY-UHFFFAOYSA-N 438.499 4.451 5 20 IIBD C[C@H]1C[C@@H](c2ccc(F)cc2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 447023559 NVNJBBZKEDOJDK-WCQYABFASA-N 432.395 4.319 5 20 IIBD Cc1ccc(CNC(=O)c2cccc(CN[C@@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)c2)cc1 447552035 SHZXNDCKNNQMIW-PKTZIBPZSA-N 447.539 4.303 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)NCc1ccccc1-c1ccc(Cn2cccn2)cc1 460854936 CRNZGGVRHWQRDG-UHFFFAOYSA-N 426.476 4.366 5 20 IIBD C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C1 461302209 ORRWQVSYHYKUEF-SUMWQHHRSA-N 441.488 4.237 5 20 IIBD CC(C)n1c([C@@H]2CCCN(C(=O)CN(C)c3ccccc3[N+](=O)[O-])C2)nc2ccccc21 463836474 LLTQTBLDBDNOSW-GOSISDBHSA-N 435.528 4.368 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(F)c(F)cc1I 466507836 XZRWFPZLXHXRNJ-UHFFFAOYSA-N 448.163 4.129 5 20 IIBD COc1cc(C(=O)Nc2cc(F)ccc2Br)c([N+](=O)[O-])cc1OC(F)F 466880387 KANGOEVWFONHLP-UHFFFAOYSA-N 435.152 4.359 5 20 IIBD CC(C)n1c([C@H]2CCCN2C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)nc2ccccc21 467496747 YFTYYCLXWFVCOK-HXUWFJFHSA-N 445.483 4.083 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCSCc1cccc2ccccc12 468120295 JMJJZAOINHBVGY-LJQANCHMSA-N 441.557 4.030 5 20 IIBD COc1ccc(-c2ccc(CNC(=O)COc3ccc([N+](=O)[O-])c(OC)c3)s2)cc1 473492976 VEKPYHNMPNSRDP-UHFFFAOYSA-N 428.466 4.036 5 20 IIBD O=C(Nc1cnn(-c2ccccc2)c1C(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc2C1 473790893 WUIWUQAFLFHFHK-UHFFFAOYSA-N 431.374 4.390 5 20 IIBD C[C@@H](c1ccc(OC(F)F)cc1)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 481172550 IRZTVYMLXIJJGC-AWEZNQCLSA-N 431.443 4.346 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(OCC(=O)c2cc(C)n(Cc3cccs3)c2C)c1 482821123 GDBWWDLJOGOLGJ-UHFFFAOYSA-N 428.466 4.171 5 20 IIBD COC(=O)[C@H](C)N(C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(Br)cc1C 484817103 RHXVRAYGUVHKFV-NSHDSACASA-N 439.237 4.013 5 20 IIBD O=C(Nc1cc(Cl)ccc1C(=O)N1CCCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 485475661 DDWZTCWQNIESON-UHFFFAOYSA-N 428.876 4.311 5 20 IIBD COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1NC(C)=O 486236212 MDIXYEXIMWOOCO-UHFFFAOYSA-N 448.479 4.104 5 20 IIBD CCOc1ccc(C2=CCN(C(=O)Nc3cc(C(=O)OC)cc([N+](=O)[O-])c3C)CC2)cc1 486879190 KPRRHTLZZDHCNK-UHFFFAOYSA-N 439.468 4.410 5 20 IIBD Cc1cnc(N2CCC(c3nc(-c4ccccc4Br)no3)CC2)c([N+](=O)[O-])c1 487143174 VRYIBUMBBLVABX-UHFFFAOYSA-N 444.289 4.495 5 20 IIBD CCNC(=O)Nc1ccc(C)c(NC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)c1 488678732 ONWJLGUCFZCCIU-UHFFFAOYSA-N 432.502 4.035 5 20 IIBD COCc1cccc(CC(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)c1 488990174 ZMTLFSWWXAUSCU-UHFFFAOYSA-N 432.436 4.368 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)O[C@H](C)C1 490423465 UBJVPXLVPAWZFJ-CXAGYDPISA-N 444.431 4.073 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cc1[N+](=O)[O-] 491651606 CVVAWDCICNXWJY-INIZCTEOSA-N 431.514 4.027 5 20 IIBD O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1csc([N+](=O)[O-])c1 492931897 VAFUTQFDQBEGMC-UHFFFAOYSA-N 437.886 4.363 5 20 IIBD CS(=O)(=O)c1cccc([C@@H](NCCc2ccccc2[N+](=O)[O-])c2ccc(F)c(F)c2)c1 493277465 QZOSOULDGGTSKJ-JOCHJYFZSA-N 446.475 4.198 5 20 IIBD O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N(CC(F)(F)F)c1ccc(Br)cc1 498181267 AZUOUGPKQCLYKE-UHFFFAOYSA-N 447.163 4.295 5 20 IIBD CCCCc1ccc([C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c2cccs2)cc1 499298042 IERNRFFHOATTPQ-QFIPXVFZSA-N 425.510 4.066 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)NC2CCCCC2)CC1 502995207 CYLUHKORQUFLLO-UHFFFAOYSA-N 433.574 4.398 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 503249249 YVMRCKVYUPGMNM-KRWDZBQOSA-N 435.864 4.045 5 20 IIBD O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCC[C@@H]2c2cccc(Br)c2)cc1 503487239 KTFCKWIQNYJQOM-GOSISDBHSA-N 439.331 4.067 5 20 IIBD O=C(Nc1cccc2c1OCCC2=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 503893214 MRRVBNYOOILYMA-UHFFFAOYSA-N 447.234 4.305 5 20 IIBD NC(=O)N[C@H](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cccc(Oc2ccccc2)c1 504987488 ZOONICHQJMDHBJ-HXUWFJFHSA-N 445.435 4.389 5 20 IIBD CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 505392922 ZZEQKZJNVGHFBY-UHFFFAOYSA-N 445.479 4.355 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCO[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-])c1ccccn1 506128350 DLZLKQPNZMOFHO-UZUQRXQVSA-N 432.480 4.377 5 20 IIBD COc1c(Cl)cccc1NC(=O)c1ccc([N+](=O)[O-])cc1I 508586377 GDNUQRFZTXLAEA-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)c([N+](=O)[O-])cc1OC 509119878 DQIKRKZSVBUXRR-UHFFFAOYSA-N 449.463 4.184 5 20 IIBD CCCN(C(=O)c1ccc(NCC)c([N+](=O)[O-])c1)C1CCN(C(=O)c2ccccc2)CC1 509272730 CLHOOQJZDQXHMN-UHFFFAOYSA-N 438.528 4.184 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(-n4cncn4)c(F)c3)cc2[N+](=O)[O-])C1 509517093 PRQOCUGHCLXXTO-HUUCEWRRSA-N 438.463 4.049 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 510836200 HEWWCBJQUAZSCS-OAHLLOKOSA-N 435.383 4.336 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cn2ccc(Br)cc2n1 511810060 SHLYLGIJCHXALS-UHFFFAOYSA-N 444.270 4.381 5 20 IIBD CCc1nnc(NC(=O)[C@H](C)[C@H](C)NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)s1 513081200 FNRKQOHBKTXNDC-OLZOCXBDSA-N 429.502 4.022 5 20 IIBD O=C(CSc1nnc(-c2cccs2)n1C1CC1)N1CCCc2c1cccc2[N+](=O)[O-] 513842695 MXJUZFRGPDBOLJ-UHFFFAOYSA-N 441.538 4.321 5 20 IIBD CCOc1ccc(C(=O)Nc2ccccc2-n2cc(Br)cn2)cc1[N+](=O)[O-] 514445882 FMSMVXORZVIQHU-UHFFFAOYSA-N 431.246 4.194 5 20 IIBD CCc1[nH]c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)c(C)c1C(=O)OC 515626309 YKHPHXNPHBUCSS-UHFFFAOYSA-N 428.470 4.265 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1 515680386 KTBWPGHUBOPMJQ-UHFFFAOYSA-N 437.427 4.323 5 20 IIBD O=C(NC1(c2cccc(Br)c2)CCOCC1)c1ccc([N+](=O)[O-])cc1Cl 516263843 DQCKLEXMAALZSA-UHFFFAOYSA-N 439.693 4.446 5 20 IIBD O=C(Nc1cc(F)c(F)cc1F)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 517129094 FRWOEBFAYFFASR-UHFFFAOYSA-N 448.323 4.385 5 20 IIBD CCCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 518135791 NQIWYDOVURCOPD-LBPRGKRZSA-N 439.390 4.218 5 20 IIBD Cn1cnnc1Sc1ccc(-c2nc(Cc3ccc(Cl)cc3)no2)cc1[N+](=O)[O-] 518336256 KIUUMJZEXOWBAP-UHFFFAOYSA-N 428.861 4.169 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1sc2c(c1C(=O)c1ccccc1)CC[C@H](C)C2 520971555 ZQZPUWSTALWEDM-ZDUSSCGKSA-N 438.509 4.156 5 20 IIBD O=C([C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1CC2(CCCC2)c2c(F)cccc21 521096742 XHXQAVMTVIXDQT-MRXNPFEDSA-N 443.500 4.259 5 20 IIBD CCN(C(=O)[C@@H](C)SCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccccc1 522716499 GQODLIZZUHNWRG-OAHLLOKOSA-N 429.498 4.068 5 20 IIBD Cc1nnc(O)c(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)c1C 522734284 HYKMOOLAAMPRPP-UHFFFAOYSA-N 446.822 4.222 5 20 IIBD CC[C@@H](c1ccc(F)cc1F)N1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 525274762 DGNKYXWNYAFENB-NRFANRHFSA-N 433.455 4.008 5 20 IIBD CC(=O)Nc1ccccc1CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 525599277 KDKYMASOJQSLDZ-HNNXBMFYSA-N 433.468 4.051 5 20 IIBD CN(C)[C@H](CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Cl)cc1 530841022 MJKSIYQWNVCSQZ-OAQYLSRUSA-N 446.935 4.104 5 20 IIBD Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 535188606 AGUBYZIEBAFXFO-HXUWFJFHSA-N 447.539 4.161 5 20 IIBD C[C@@H](CO)CCCNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 536295755 OOHXCNQSHHIESB-CYBMUJFWSA-N 431.539 4.494 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(=O)N1CCc2ccsc2C1 536346095 RUGFLIMOSAVGCA-UHFFFAOYSA-N 445.547 4.392 5 20 IIBD C[C@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)c1cccc(S(=O)(=O)N(C)C)c1 536389248 AYHCTGWXVSIAMB-HNNXBMFYSA-N 426.498 4.080 5 20 IIBD CN(Cc1ccccc1-c1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 537341712 GHGBAEDWIXCJPV-UHFFFAOYSA-N 431.492 4.371 5 20 IIBD COc1ccccc1-c1ccc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 538718247 FMFDAFNJLJIMFC-UHFFFAOYSA-N 431.492 4.228 5 20 IIBD CC[C@H](C)n1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2O)nnc1-c1ccccc1 538872217 OZQVCSWABUMIRQ-ZDUSSCGKSA-N 427.486 4.261 5 20 IIBD CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 539970195 JSIMRMAVIFVQOT-YCRPNKLZSA-N 431.464 4.063 5 20 IIBD C[C@H](C(=O)N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F 542653204 JUADNLFWUBFHMB-LTMIRXACSA-N 425.504 4.351 5 20 IIBD O=C(NCCN1C(=O)Cc2ccccc21)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 543463042 PVJSBHOLCVJFTC-UHFFFAOYSA-N 439.537 4.196 5 20 IIBD COc1ccc(COc2ccc(-c3noc(-c4ccc([N+](=O)[O-])c(OC)c4)n3)cn2)cc1 544396538 HDVXRMYFVGXCCF-UHFFFAOYSA-N 434.408 4.303 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc([C@H](C)CNC(=O)c2ccccc2)no1 545037394 FSCFDAVSNQRDLL-OLZOCXBDSA-N 430.848 4.305 5 20 IIBD Cc1c(Cc2noc(-c3ccc(=O)n(Cc4ccccc4Cl)c3)n2)cccc1[N+](=O)[O-] 545079234 LCKRMRLYHFIZCE-UHFFFAOYSA-N 436.855 4.407 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1 548965532 IDBGBVJYAOXXQQ-CQSZACIVSA-N 437.378 4.042 5 20 IIBD CC(C)(C)n1[nH]cnc1=NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 549820406 VGIUJZNLYLJLGO-UHFFFAOYSA-N 431.905 4.420 5 20 IIBD COc1ccc(COCCCNC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1 550298514 DKVSBFWTBNMWTB-UHFFFAOYSA-N 437.290 4.011 5 20 IIBD COc1ccc(-c2nnc(NC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])s2)cc1 551562399 BHXSPNCWDPTLDH-UHFFFAOYSA-N 434.861 4.183 5 20 IIBD O=C(NCc1nc2cc(Br)ccc2o1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 552305705 QUOHHQIHKBAUJY-UHFFFAOYSA-N 431.246 4.003 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1[N+](=O)[O-] 553016015 GQLSBBNYNINOOV-CABCVRRESA-N 434.480 4.366 5 20 IIBD CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 555042392 GIZDXTQQEISNPF-UHFFFAOYSA-N 447.952 4.190 5 20 IIBD CC(=O)N1CCc2c(NC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])cccc21 555490413 ZCLLMKBNVRAORA-UHFFFAOYSA-N 431.448 4.335 5 20 IIBD COc1cnc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c(Br)c1 558284565 CAHUHHPYOOEDIH-UHFFFAOYSA-N 432.683 4.145 5 20 IIBD CC(C)[C@@H](CNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1 566351476 LGQMHGIDMPOLJC-GOSISDBHSA-N 445.903 4.492 5 20 IIBD CC(C)N(Cc1ncc(-c2ccc3c(c2)OCO3)[nH]1)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 568943934 AQSRCXQTZQXWIJ-HNNXBMFYSA-N 436.468 4.254 5 20 IIBD CCOc1ccccc1[C@H](CC)NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 573512080 MWIFPMQLGNHXLE-SFHVURJKSA-N 427.501 4.497 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2F)c1 576481752 QQWPPLUBYVAPKP-UHFFFAOYSA-N 439.447 4.370 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 581518602 KCGYAPVKECCIAN-UHFFFAOYSA-N 438.459 4.122 5 20 IIBD COc1ccc(CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c(OC)c1OC 603508654 AODHNDFMWJYSFH-UHFFFAOYSA-N 437.452 4.294 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 603597693 PIYPCQNKVMALND-HNNXBMFYSA-N 447.438 4.304 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3ccnc(N4CCCC4)c3)cc2[N+](=O)[O-])C1 603839949 IATHWPJSMHFVFC-QZTJIDSGSA-N 437.544 4.002 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 604465510 ILRNVRPMLSVRSJ-INIZCTEOSA-N 431.514 4.027 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 608817772 CATLBKRKFXXKCV-MRXNPFEDSA-N 426.860 4.247 5 20 IIBD Nc1c(C(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)cc(F)cc1[N+](=O)[O-] 609111477 JRXPSYNCYRBYRB-UHFFFAOYSA-N 425.854 4.225 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 609290504 NIXGEPBRGUUTAQ-KRWDZBQOSA-N 428.247 4.324 5 20 IIBD CCCO[C@@H]1CCCN(c2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])CC1 609384590 UTYOULWVFDWEBM-GOSISDBHSA-N 433.530 4.181 5 20 IIBD CCOC(=O)c1cc(S(=O)(=O)N(Cc2ccc(C)s2)C(C)C)cc([N+](=O)[O-])c1C 609709863 ANNFBUSKCLYEPB-UHFFFAOYSA-N 440.543 4.049 5 20 IIBD CC(C)c1nnc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)s1 609853893 OTZPSBFVYWEPQG-UHFFFAOYSA-N 427.273 4.315 5 20 IIBD O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 609997814 ZZGMKEPCVGADSR-GOSISDBHSA-N 425.460 4.069 5 20 IIBD COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2ccc([N+](=O)[O-])cc2Br)c1 610042755 PMPPUYMGJFUTEJ-QGZVFWFLSA-N 449.301 4.187 5 20 IIBD COc1cc(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)cc([N+](=O)[O-])c1OC 610174367 DZGYBMTVXZSIGY-UHFFFAOYSA-N 448.435 4.091 5 20 IIBD CCOc1ccccc1C(=O)N[C@H](C(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1)C(C)C 610556787 UCDLYXSGCBIEPM-FPOVZHCZSA-N 427.501 4.015 5 20 IIBD O=C(NC1CC1)c1ccc(CN(Cc2ccco2)Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1 610580831 SORJIDNJJUCJDX-UHFFFAOYSA-N 446.463 4.424 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 610598180 WEUDZKNUCGCTCG-FXBDTBDDSA-N 434.720 4.215 5 20 IIBD O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611202403 QYAQHHKHNWZVPY-HXUWFJFHSA-N 439.537 4.160 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccccc2OCCN(C)C)no1 612937163 ABWVSXJUKXNMBI-ZDUSSCGKSA-N 432.864 4.379 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cnc2ncc(Br)cc2c1 614839332 ZBQXRCCKGBWPRW-UHFFFAOYSA-N 429.274 4.053 5 20 IIBD COC(=O)c1cc(NC(=O)CCc2ccc(Br)cc2F)c(C)c([N+](=O)[O-])c1 616937570 GPWMBCISTIYSON-UHFFFAOYSA-N 439.237 4.163 5 20 IIBD COc1cccc(NC(=O)[C@@H](OC(=O)c2ccc([N+](=O)[O-])c(OC)c2)c2ccccc2)c1 725948520 OVOPBWABEASQSM-NRFANRHFSA-N 436.420 4.149 5 20 IIBD C[C@H](Cc1cccs1)NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727474858 JKDVEOOZZDFODC-CYBMUJFWSA-N 442.463 4.138 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1CCC[C@H](C2OCCO2)C1 728054729 AZWMETJPJPIMQK-JXFKEZNVSA-N 445.903 4.013 5 20 IIBD CCCNC(=O)Nc1cccc(OC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 729212952 MJNFVDPOOYIEKO-UHFFFAOYSA-N 441.362 4.287 5 20 IIBD O=C(COC(=O)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 730494131 QMZLIGNVXHYQLZ-OAQYLSRUSA-N 442.374 4.175 5 20 IIBD CCn1c(Sc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])nnc1-c1cccs1 731919826 AWNOPYCNKGSEIB-UHFFFAOYSA-N 446.482 4.082 5 20 IIBD CC(C)(C)OC(=O)NC[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C1CCCCC1 732155125 JPDCXQNKMHDWCR-IBGZPJMESA-N 430.505 4.280 5 20 IIBD COc1ccccc1CC(C)(C)C(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 733051367 BCUIJEHXDGKAOB-UHFFFAOYSA-N 427.501 4.027 5 20 IIBD CNC(=O)c1cccc(COC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c1 733819247 QEEOQXRZLYKVEO-UHFFFAOYSA-N 443.506 4.228 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NCCCc2ccc(Br)cc2F)c1[N+](=O)[O-] 734832408 FYNIVDQPEYVNTJ-UHFFFAOYSA-N 442.241 4.250 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1cc([N+](=O)[O-])ccc1OC(F)F 734997910 FKLWXXINCRXZLC-UHFFFAOYSA-N 431.735 4.165 5 20 IIBD CCN(CCc1ccccn1)C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 736072739 RMMGIENFFNQPBC-UHFFFAOYSA-N 434.283 4.187 5 20 IIBD O=[N+]([O-])c1ccc(/C(O)=C(/C(=S)N[C@H]2CCOc3ccccc32)[n+]2ccccc2)cc1 742143631 KMYRKIOQAUHPFW-IBGZPJMESA-O 434.497 4.207 5 20 IIBD COc1ccc(CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)cc1OC1CCCC1 742400801 GQSMLYWORKGOMP-UHFFFAOYSA-N 427.457 4.494 5 20 IIBD CCOc1cc(N2CCC(OC(=O)Cc3cc(C)ccc3OC)CC2)ccc1[N+](=O)[O-] 744204530 OWNACMRVUVKTFE-UHFFFAOYSA-N 428.485 4.065 5 20 IIBD C[C@@H](OC(=O)[C@H](C)c1ccccc1C(F)(F)F)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 745310348 ZYUIWBOGJOHPEU-GHMZBOCLSA-N 428.338 4.427 5 20 IIBD C[C@@H](CC(=O)c1ccccc1F)C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 745488633 JZGSSGPFYAGXHY-NWDGAFQWSA-N 436.823 4.167 5 20 IIBD COc1cc(C(=O)NOCc2cccnc2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 746937977 XTBMJQSQFCKRDD-UHFFFAOYSA-N 429.816 4.306 5 20 IIBD Cc1nc(-c2ccc(CNC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)cc2)cs1 748613323 LWUJGQAIKYAIFW-UHFFFAOYSA-N 426.454 4.482 5 20 IIBD COc1ccc(NC(=O)c2cccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2)cn1 748654719 MYNOFVSWFSFYPY-UHFFFAOYSA-N 426.816 4.156 5 20 IIBD Cc1c(C(=O)OCc2noc(-c3ccc(Cl)cc3)n2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748945958 CBYXBEFVTFKVPI-UHFFFAOYSA-N 432.776 4.180 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1 749503412 ZMIHWZPGWYMNEQ-MRXNPFEDSA-N 425.551 4.328 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC(OC[C@@H]3CCCCO3)CC2)CC1 750140646 ITBJRRAJJFYVPQ-NRFANRHFSA-N 445.560 4.021 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2cccc3nc(O)oc23)c2ccccc2)c([N+](=O)[O-])c1 751928995 HCDGINWONQNEFG-IBGZPJMESA-N 447.403 4.287 5 20 IIBD C[C@@H](OC(=O)C[C@@H](C)c1ccncc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 754943014 TXTIAYATYILYTA-ZIAGYGMSSA-N 440.481 4.177 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)OCc1coc(-c2ccc(Br)cc2)n1 755659274 WIZFEIKEDXUSQP-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD CCOc1ccc(-c2nc(COC(=O)c3ccc([N+](=O)[O-])cc3OC)cs2)cc1OC 755675097 SSSIJJWQBBODTD-UHFFFAOYSA-N 444.465 4.491 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)O[C@H](C)C(=O)Nc1ccccc1Cc1ccccc1 755677991 IPJFOWMWJRJVEH-MRXNPFEDSA-N 434.448 4.378 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)/C=C\c1ccc(Cl)nc1 759762662 YFFRPCZMWGTDDS-CLFYSBASSA-N 427.848 4.144 5 20 IIBD CSc1ccc(C(=O)OCC(=O)N(Cc2ccco2)c2ccccc2)cc1[N+](=O)[O-] 760830674 LCHLWUXMQNJWTL-UHFFFAOYSA-N 426.450 4.300 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc(Br)c1F 763037421 ZQHWLUBVGYIURT-UHFFFAOYSA-N 431.601 4.189 5 20 IIBD C[C@H](Cc1ccc(Br)cc1)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 766234983 AEVQCRUDDPXEQF-GFCCVEGCSA-N 436.258 4.146 5 20 IIBD O=C(Nc1ccc(Cc2nnc3n2CCCCC3)cc1)c1cccc(Cl)c1[N+](=O)[O-] 766750129 FQKHIRVJKFDHHK-UHFFFAOYSA-N 425.876 4.409 5 20 IIBD CCN(CCC1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1)CC1CC1 771476132 RUPVPWMYSNIRKQ-INIZCTEOSA-N 436.984 4.409 5 20 IIBD C[C@@H](NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)[C@@H](O)c1c(Cl)cccc1Cl 771716324 LOWMLVBRWCPLOW-DYBLOJMWSA-N 436.251 4.007 5 20 IIBD C[C@H](NC(=O)COC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccccc1Cl 773603858 NHBFXQIVHZTPPD-QMMMGPOBSA-N 447.694 4.106 5 20 IIBD COc1cc(Br)c(NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1OC 777706541 BUHBAPMYGLDAHC-UHFFFAOYSA-N 436.306 4.455 5 20 IIBD CC(C)n1cc2c(n1)[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)CCC2 780424296 XXBZUCLSMOHMPF-CYBMUJFWSA-N 425.258 4.081 5 20 IIBD O=C(OCc1cn(-c2ccc(F)cc2Cl)nn1)c1ccc2[nH]c3ccccc3c(=O)c2c1 781519049 PQQJMFQJUJUSKV-UHFFFAOYSA-N 448.841 4.412 5 20 IIBD C[C@@H](OC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)c1nc2ccccc2n1C(F)F 781571767 LHIAJYYGWVYHDR-DIFFPNOSSA-N 430.367 4.137 5 20 IIBD CC1(NC(=O)OC(C)(C)C)CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 781780565 MZTWQIIXAOCYBW-UHFFFAOYSA-N 449.551 4.061 5 20 IIBD CCn1c(SCC(=O)OCc2ccc([N+](=O)[O-])c(F)c2)nnc1-c1cccc(C)c1 782177611 QGSIQYJRZRDFLZ-UHFFFAOYSA-N 430.461 4.156 5 20 IIBD CC1CCN(c2ccc(C(=O)OCC(=O)Nc3ccc(F)cc3Cl)cc2[N+](=O)[O-])CC1 783333694 FNZZRBDRDCPQJN-UHFFFAOYSA-N 449.866 4.419 5 20 IIBD O=c1c(-c2ccccc2)coc2cc(OC[C@@H](O)COc3ccccc3[N+](=O)[O-])ccc12 783916080 NYGQNGRQXYIMNI-QGZVFWFLSA-N 433.416 4.187 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)OCc2cnc(C)nc2C)cc1[N+](=O)[O-] 784268264 UKUVCQHAZBBFAA-UHFFFAOYSA-N 437.477 4.312 5 20 IIBD C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 786928514 SLEUFLOKAYPGOM-LLVKDONJSA-N 426.351 4.029 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NS(=O)(=O)Cc1ccc(Cl)c(F)c1 787004258 RYHWDSYKAQTKGW-UHFFFAOYSA-N 446.909 4.148 5 20 IIBD Cc1cnc(CC(=O)O[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)s1 787026138 MSXOUYFEIACBQL-IBGZPJMESA-N 445.884 4.479 5 20 IIBD O=C(Nc1cc(Cl)nc(Cl)c1)c1ccc([N+](=O)[O-])cc1I 787936904 CLSMSOASBBQLSL-UHFFFAOYSA-N 438.008 4.154 5 20 IIBD CCc1nc2ccccc2n1[C@@H]1CCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 788155280 YAAFUTGSECDILF-LJQANCHMSA-N 444.495 4.170 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 790199106 ZMTVAONWORPNHE-HUUCEWRRSA-N 429.498 4.252 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)c1F 790411548 YGJBWDUDOOBEQX-UHFFFAOYSA-N 433.439 4.426 5 20 IIBD Cc1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)c(N)c([N+](=O)[O-])c1 794748998 WJYQFMAKAICWDU-UHFFFAOYSA-N 437.481 4.054 5 20 IIBD COc1cc(CS(=O)(=O)[C@@H]2CCc3cc(Cl)ccc32)c([N+](=O)[O-])cc1OC(F)F 795416999 MCSIRWPDIZHYGG-QGZVFWFLSA-N 447.843 4.461 5 20 IIBD O=C(CN[C@@H](CCO)c1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 796428087 CBYHSPRKXNDHKD-HNNXBMFYSA-N 432.691 4.207 5 20 IIBD COc1cc([N+](=O)[O-])ccc1COC(=O)c1csc(-c2ccc(OC)c(OC)c2)n1 797473096 WESHZJFHTQJOOB-UHFFFAOYSA-N 430.438 4.101 5 20 IIBD CC(C)(C)OC(=O)NCc1nnc(SCc2ccc(Br)c([N+](=O)[O-])c2)o1 800837492 ZJOJYDKMGZLBJC-UHFFFAOYSA-N 445.295 4.057 5 20 IIBD Cc1[nH]c(C=O)cc1C(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 801411235 WIAJZRFJLQPFSN-IBGZPJMESA-N 441.827 4.234 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1 808797333 NAOMINRZCGNJFV-SFHVURJKSA-N 447.410 4.122 5 20 IIBD C[C@H](OC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccc(SCC(=O)N(C)C)cc1 809070362 MQJHRWZFBQYDDR-ZDUSSCGKSA-N 438.452 4.171 5 20 IIBD Cc1ccc(-c2noc(CN3CCN(c4ccc(C(F)F)cc4[N+](=O)[O-])CC3)n2)cc1 809345255 PETLTDSGKFANHP-UHFFFAOYSA-N 429.427 4.213 5 20 IIBD Cc1nn(C)c(-n2cccn2)c1-c1nc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)no1 809362632 GKPOEFCYVWRODY-UHFFFAOYSA-N 443.423 4.332 5 20 IIBD Cc1ccc(OC(=O)Cc2sc(N3CCOCC3)nc2-c2ccccc2)c([N+](=O)[O-])c1 810534573 XGBSQCBRHJMNGO-UHFFFAOYSA-N 439.493 4.011 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)C[C@@H]1c1ccccc1F 812133665 RYPUWIPSTUTGDP-FOIQADDNSA-N 425.464 4.226 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C(=O)NC12CC3CC(CC(C3)C1)C2 815511043 SMMMLAGYYTVZFI-ABROSTTOSA-N 440.418 4.244 5 20 IIBD CN(C(=O)OC(C)(C)C)[C@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Cc1ccccc1 820517022 XFCOGGHBFFFLHH-INIZCTEOSA-N 447.919 4.456 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(-c3csnn3)cc2)c(Cl)cc1Cl 821163020 BLASBCNBPZVKGI-UHFFFAOYSA-N 431.282 4.221 5 20 IIBD C[C@@H](OC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)OCCCO2 857127379 PMHNFPOCZHKKIK-CQSZACIVSA-N 442.468 4.238 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3nc(-c4ccccc4F)no3)cc2)c1 904774009 VRXBLJZKSOWBJV-UHFFFAOYSA-N 440.412 4.252 5 20 IIBD CCC(CC)CN(CC)C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 915284883 BCBLKFWMIUTUFG-UHFFFAOYSA-N 434.514 4.261 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCc3ccccc3[N+](=O)[O-])cc2[N+](=O)[O-])n1 916423508 WREPWBAGTSAPTR-UHFFFAOYSA-N 430.467 4.349 5 20 IIBD O=C(Cc1ccc(Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])cc1)N1CCOCC1 917063229 AEKIUCYXSAZEFG-UHFFFAOYSA-N 443.809 4.412 5 20 IIBD CCc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 917261210 YLCKFNPUGRYVFC-LBPRGKRZSA-N 440.374 4.282 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@H](C)c1cc(F)ccc1F 917963406 WLMCYGDVNDLHBG-KZULUSFZSA-N 438.452 4.029 5 20 IIBD O=C(C=C1CCCCC1)NCCN1C(=O)S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 919979399 VCVWQPCVTUBVAN-GZTJUZNOSA-N 449.916 4.291 5 20 IIBD C[C@H](Nc1ccc(C(=O)OCc2noc(C(C)(C)C)n2)cc1[N+](=O)[O-])c1ccccn1 920546245 WTDGPOCCEZQVJB-ZDUSSCGKSA-N 425.445 4.200 5 20 IIBD COCCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 921147096 FFTUBKFCVYJJTA-UHFFFAOYSA-N 425.529 4.162 5 20 IIBD O=C(c1cnc2ccccc2c1C(F)(F)F)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1318129447 BSHISRIQDDKVPA-UHFFFAOYSA-N 444.413 4.120 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1c1nnc(-c2cccc([N+](=O)[O-])c2)o1 1322140981 SKUIZKKTUFIICC-INIZCTEOSA-N 428.832 4.284 5 20 IIBD CSc1ccc(C)c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 1337204763 PKVOFLHWFRHUSW-UHFFFAOYSA-N 428.388 4.439 5 20 IIBD CNc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CCC2)cc1 1785748634 VMHNHJFAXLFATQ-UHFFFAOYSA-N 434.452 4.291 5 20 IIBD Cc1cc[nH]c1C(=O)Nc1ccc(C2(NC(=O)c3cccc(F)c3[N+](=O)[O-])CCC2)cc1 1787103157 MFNOIDPILFTCTG-UHFFFAOYSA-N 436.443 4.432 5 20 IIBD O=C(Cc1cccc(F)c1)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1 1787751884 CXNIYRHTCVSJFL-UHFFFAOYSA-N 437.427 4.317 5 20 IIBD O=C(Cc1cc([N+](=O)[O-])ccc1F)NC1(c2ccc(NC(=O)[C@H]3CC3(F)F)cc2)CCC1 1789129977 LUWMBMNSFOYWCX-QGZVFWFLSA-N 447.413 4.066 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@@H]3CC=CCC3)CCC2)cc1)c1ccc(O)c([N+](=O)[O-])c1 1790616696 BHYBDIIVVUJVPJ-MRXNPFEDSA-N 435.480 4.404 5 20 IIBD C[C@@H](Cc1ccco1)C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1 1791911384 WDIKBSGRGONWHQ-HNNXBMFYSA-N 436.468 4.142 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(C2CC2)cc1 1800530869 YIXZVWOUDQEPTP-REPLKXPHSA-N 437.471 4.177 5 20 IIBD CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3ccc([N+](=O)[O-])o3)[nH]n2)CCCC1 1814526791 FVTQOYSKMMZQED-UGAXZCSASA-N 441.488 4.197 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2cc([N+](=O)[O-])ccc2F)n[nH]1 1815641626 KGKNZAMBWUSXSP-LIRRHRJNSA-N 445.495 4.128 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)CC(C)C)n[nH]1 1816767384 HMNYCAVVDSYYOT-KRWDZBQOSA-N 431.468 4.117 5 20 IIBD Cc1c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(F)CC3)n[nH]2)cc(Cl)cc1[N+](=O)[O-] 1821800538 VCEPNKJLKLQUQI-OAHLLOKOSA-N 449.870 4.088 5 20 IIBD COc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3CCCC3)CC2)ccc1[N+](=O)[O-] 1826258504 SWZUDEGGIGSGOQ-FQEVSTJZSA-N 443.544 4.027 5 20 IIBD CC(C)(C)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1826338086 NESZTRBRFMKDEC-FQEVSTJZSA-N 433.524 4.403 5 20 IIBD Cc1cc(F)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)c1 1830503426 DMACLWOSLMGMHK-IBGZPJMESA-N 443.475 4.182 5 20 IIBD CC/C=C(\C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(C)c([N+](=O)[O-])c2)CC1 1832519659 PEDOAMXMLJOESR-CYNHDBGTSA-N 441.572 4.422 5 20 IIBD Cc1oc(C(C)(C)C)cc1C(=O)N1CC2(CCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 1845402713 IYHAHZFXNIXFLH-UHFFFAOYSA-N 443.475 4.064 5 20 IIBD CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1cc([N+](=O)[O-])ccc1Cl 14571002 PYPRZYSYLGGYQX-UHFFFAOYSA-N 435.267 4.191 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 16205620 NMKKJCGDVQCKPE-UHFFFAOYSA-N 449.554 4.134 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1C1CC1 17769398 JGMDLZZORYHEOQ-LLVKDONJSA-N 444.542 4.326 5 20 IIBD COc1ccc(Br)cc1CN(C)C(=O)c1ccc(SC)c([N+](=O)[O-])c1 17957548 ZHQTTWFUTIWMPI-UHFFFAOYSA-N 425.304 4.360 5 20 IIBD CC(C)c1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 22165822 XVUYBHJCDOULAH-GFCCVEGCSA-N 446.920 4.467 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 24215245 IQMCLNAPKSDXNK-HNNXBMFYSA-N 432.527 4.395 5 20 IIBD O=Cc1ccc(OCC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)c([N+](=O)[O-])c1 24635559 DVFVYYIEBDIRNY-INIZCTEOSA-N 441.490 4.287 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1nc(-c2cc3ccccc3o2)cs1 60933243 ZZIRTJWICZQTNC-UHFFFAOYSA-N 436.405 4.011 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1cc(Br)ccc1F 64420460 ULXGANPPEMNHBM-VIFPVBQESA-N 431.645 4.234 5 20 IIBD COc1ccccc1/C=C(\C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 109014641 JYQSBCQZJLLEGR-STZFKDTASA-N 432.432 4.326 5 20 IIBD Cc1cn2c(CN(C)C(=O)Cn3c4ccccc4c(=O)c4ccccc43)c(C)nc2s1 217981052 FWYPRCMGTVGDOY-UHFFFAOYSA-N 430.533 4.139 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-n2ncc(C(=O)O)c2C(F)(F)F)c1 237570099 SNZFUMYKZGXXJW-UHFFFAOYSA-N 434.330 4.058 5 20 IIBD Cn1cc(CNCC2(c3cccc(Cl)c3)CCOCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 237754478 DQTOBILHRAICSX-UHFFFAOYSA-N 440.931 4.487 5 20 IIBD C[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)[C@H](OC1CCOCC1)c1ccccc1 301783700 OPGUTGSSSHWYSH-ACJLOTCBSA-N 436.306 4.490 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 302000619 RNTLHBOOVNCKDX-YLJYHZDGSA-N 426.860 4.155 5 20 IIBD NC(=O)C1CCN(c2ccc(Nc3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)cc2)CC1 302170408 LVGBNFWAFOUMKQ-UHFFFAOYSA-N 447.495 4.014 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC[C@H](c4ccn[nH]4)C3)cc2[N+](=O)[O-])n1 303115023 HAPSRXNGURQJKT-AWEZNQCLSA-N 429.527 4.254 5 20 IIBD O=C([C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1CCC[C@@H](c2ccccc2)CC1 303516976 PMBKDLZFJNHHIY-QZTJIDSGSA-N 427.526 4.057 5 20 IIBD O=C(NC1(c2cccc(Br)c2)CC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 303944105 ZAAJWFAERGCQQB-UHFFFAOYSA-N 444.329 4.379 5 20 IIBD O=c1ccccn1C[C@@H](Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)c1ccccc1 409529314 NOYCLKBUYAEJOX-OAQYLSRUSA-N 442.475 4.584 5 20 IIBD O=C(O)[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1csc(-c2ccc(F)cc2)n1 426730102 JLYSWSAWQYBBGZ-IBGZPJMESA-N 440.456 4.124 5 20 IIBD CCOCCOc1ccc(Br)cc1NC(=O)c1ccc([N+](=O)[O-])cc1OC 427382796 OMIQBFYGCZGKSI-UHFFFAOYSA-N 439.262 4.034 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccnn1Cc1ccc(Cl)cc1 431579753 QPBWCFINPMYIJR-UHFFFAOYSA-N 437.843 4.059 5 20 IIBD CCCOc1cc(NC(=O)N2CCOC[C@@H](C3CCC3)C2)c([N+](=O)[O-])cc1OCCC 432642441 MDEASOLVNXFENO-KRWDZBQOSA-N 435.521 4.453 5 20 IIBD C[C@@H](NC(=O)c1cc(Br)c(O)c(Br)c1)c1cccc([N+](=O)[O-])c1 436763148 FIJMCAVIPCCAEY-MRVPVSSYSA-N 444.079 4.316 5 20 IIBD O=[N+]([O-])c1cccc(-c2ncn(C[C@@H](O)COC(c3ccccc3)c3ccccc3)n2)c1 438821552 SXPXKIAQFFMVOY-JOCHJYFZSA-N 430.464 4.020 5 20 IIBD COc1cc(C(=O)Nc2ccc(C)c(O)c2C)c([N+](=O)[O-])cc1OCc1cscn1 439283452 FQTCVCGXZBPYPU-UHFFFAOYSA-N 429.454 4.214 5 20 IIBD CC(C)CN1CCCC[C@H]1CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 439684551 BJFYGUHLLFJVNW-QUCCMNQESA-N 439.560 4.403 5 20 IIBD C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] 440877098 QLAARXNIYWRTQX-QGZVFWFLSA-N 441.553 4.071 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCO[C@]2(C[C@H]3CC[C@H]2C3)C1 440900073 ABVVYCZALCXEKD-ZJNRKIDTSA-N 430.448 4.123 5 20 IIBD COCc1nc(CNC(=O)CSc2ccccc2[N+](=O)[O-])c(-c2ccccc2)s1 441158841 SOTPYCCYJIGAKV-UHFFFAOYSA-N 429.523 4.273 5 20 IIBD O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3O 443001887 QNJNKRACYNOQCP-LYAHAQAYSA-N 430.913 4.241 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Cc1csc(-c2ccco2)n1 443202872 VRQNTPZWQSTMIW-UHFFFAOYSA-N 429.273 4.048 5 20 IIBD C[C@@H](SCC(=O)Nc1ccccc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 443413413 ZMIKBPKWMNFDCO-CYBMUJFWSA-N 442.522 4.417 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c1C 443725217 PXSSBLYJUQLNSH-AWEZNQCLSA-N 433.461 4.060 5 20 IIBD O=C(N[C@H]1CCN(c2ccccc2Cl)C1=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444005297 VUMDISSDYSXGEE-SFHVURJKSA-N 449.869 4.009 5 20 IIBD O=C(NCc1ccc(O)c(Br)c1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444235222 FYHNBKCFBVXRTR-UHFFFAOYSA-N 441.256 4.219 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 445764876 HCAZOFHGYNQYIC-QGZVFWFLSA-N 447.285 4.035 5 20 IIBD Cc1cnccc1OC1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC1 446786299 NYJZQTUPESZFLP-UHFFFAOYSA-N 431.467 4.207 5 20 IIBD CCn1c(-c2cccc(OC)c2OC)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 460288231 GFIZICAMZHZDHL-UHFFFAOYSA-N 425.489 4.305 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 462437871 BRUHEQCGNLHDBM-OAHLLOKOSA-N 437.327 4.214 5 20 IIBD CN(CC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1ccccc1[N+](=O)[O-] 463184947 MMANCWQSFBMSDJ-UHFFFAOYSA-N 428.832 4.168 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC1(N[C@H](C)c2ccccc2)CCOCC1 463953684 WCQXRXXULVDUHK-GOSISDBHSA-N 426.517 4.233 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)c2ncccc12 464411908 OTMYXYWZCFVFGT-KRWDZBQOSA-N 449.941 4.275 5 20 IIBD O=C(NC[C@H](c1ccccc1)N1CCc2sccc2C1)c1ccc(F)cc1[N+](=O)[O-] 466441305 NGNZIXSMPGQPBK-HXUWFJFHSA-N 425.485 4.325 5 20 IIBD CC[C@H](NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1)c1cccc([N+](=O)[O-])c1 467329735 LGCFMGJXEKJJMX-KRWDZBQOSA-N 430.507 4.370 5 20 IIBD Cc1sc(S(=O)(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1[N+](=O)[O-] 467419827 PRMQUNJGFKMJNB-UHFFFAOYSA-N 441.918 4.328 5 20 IIBD C[C@H]1CN(c2cccc3cnccc23)CCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F 470411090 HNSCOBRCKSVTNR-INIZCTEOSA-N 436.487 4.297 5 20 IIBD O=C(Nc1nnc(-c2ccc(Cl)cc2F)s1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 470632254 BCRMDBRTGABBBE-UHFFFAOYSA-N 444.835 4.344 5 20 IIBD COc1cccc([C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])c2cc(F)ccc2OC)c1 472055626 WQYWYAKGQWAGTR-HSZRJFAPSA-N 439.443 4.069 5 20 IIBD Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 472844185 CLMPXWQVEDMCLO-INIZCTEOSA-N 449.467 4.036 5 20 IIBD O=C(N[C@@H](Cc1nc[nH]n1)c1ccccc1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 473374915 VNXGAVDUPBVZKX-FQEVSTJZSA-N 428.452 4.170 5 20 IIBD CCO[C@@H](C)c1nc(CN2CCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)cs1 473525074 YBKXDEWEXRIAIP-HNNXBMFYSA-N 427.530 4.019 5 20 IIBD COc1cccc(Cl)c1-c1noc(C)c1C(=O)NCCNc1ccccc1[N+](=O)[O-] 474287020 GBJABWRQLZFMSE-UHFFFAOYSA-N 430.848 4.062 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)[C@H]1CCN(c2ccccc2)[C@@H]1C)c1ccccc1[N+](=O)[O-] 475487509 NKHQGGWPOJOIEK-LMNJBCLMSA-N 439.512 4.009 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cn(-c2ccccc2)nc1-c1cccs1 477931673 DWLYVLSZROLSFT-UHFFFAOYSA-N 433.493 4.351 5 20 IIBD O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@@H]21)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 478552886 NTFSYIKRTSHUCH-DZFGPLHGSA-N 445.441 4.285 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(OC3CCC3)c(F)c2)ccc1[N+](=O)[O-] 480159377 CJAHJHLCWWZZSI-HXUWFJFHSA-N 441.459 4.217 5 20 IIBD Cc1ccc(NC(=O)C(C)(C)C)cc1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 481091913 LRKJMSVAEVUYDV-UHFFFAOYSA-N 425.894 4.342 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2c[nH]c(C(=O)OC)c2)cs1 481855982 LJWJBGOFCITXAM-UHFFFAOYSA-N 432.483 4.197 5 20 IIBD CC(C)(O)CCNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 483097020 LABMANHWXJDKPB-UHFFFAOYSA-N 425.844 4.140 5 20 IIBD CCc1cccc(Oc2ccc(NC(=O)c3nnn(-c4cccc([N+](=O)[O-])c4)c3C)cn2)c1 484070919 PHTLHEBYKCMJES-UHFFFAOYSA-N 444.451 4.486 5 20 IIBD CCn1c([C@H](C)NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])nc2ccccc21 484862641 HVABLNVXUYCUBT-LBPRGKRZSA-N 436.390 4.397 5 20 IIBD O=C(NCc1ccc(F)cc1Br)c1sc(Br)cc1[N+](=O)[O-] 485687244 ZAPLRYIKKLYQNA-UHFFFAOYSA-N 438.072 4.250 5 20 IIBD COc1cc([C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C(F)(F)F)cc(OC)c1OC 486792987 FSGULJDRKKUYGH-MRXNPFEDSA-N 429.351 4.046 5 20 IIBD O=c1c([N+](=O)[O-])cn(Cc2ncc(-c3cccc(Br)c3)o2)c2ccccc12 487858112 JGVYXFPUGKLZCS-UHFFFAOYSA-N 426.226 4.376 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(COC(C)(C)CC)c1C 488881293 NVSZZZUVTPYGAK-KRWDZBQOSA-N 431.537 4.480 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@H]2CCC[C@@H](c3ccccc3)C2)ccc1[N+](=O)[O-] 489638635 LEKOTSPNYHWBPH-UNWVZKJWSA-N 435.524 4.350 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 492938619 VUYIFWNCROOWGY-APWZRJJASA-N 440.500 4.094 5 20 IIBD CCn1c([C@@H]2CCCN2S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)nc2ccccc21 493005117 RDKKSEMAMQRCPL-SFHVURJKSA-N 428.514 4.107 5 20 IIBD CSc1ccc(C(=O)N[C@@H](CC(=O)O)c2cccc(Br)c2)cc1[N+](=O)[O-] 497599600 HQGFGKZNFIQNSB-ZDUSSCGKSA-N 439.287 4.025 5 20 IIBD COc1ccccc1OCC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2C)c1 498736151 TVFTWENPSUPJNW-UHFFFAOYSA-N 435.436 4.182 5 20 IIBD CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cc1 499029239 HZZQNJGTSRFINM-LBPRGKRZSA-N 425.470 4.063 5 20 IIBD Cc1cc(OCc2ccccc2)ccc1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] 499294068 ABVWDZYUBLMKTQ-UHFFFAOYSA-N 426.494 4.467 5 20 IIBD CCOc1cc(C(=O)NCc2c(C)cc(Br)cc2C)c([N+](=O)[O-])cc1OC 500062947 KXEQIRPWWNALJJ-UHFFFAOYSA-N 437.290 4.311 5 20 IIBD CNC(=O)c1ccc(Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)c([N+](=O)[O-])c1 503562131 IADKMXSTDFKOEJ-UHFFFAOYSA-N 444.491 4.220 5 20 IIBD C[C@H](c1ccccc1F)N1CCC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1=O 505422775 QYXQAXSBXMJQDW-ACJLOTCBSA-N 441.484 4.431 5 20 IIBD CCN(Cc1c(F)cccc1F)C(=O)c1ccc([N+](=O)[O-])cc1I 505921258 OUXPTDBKAADHBM-UHFFFAOYSA-N 446.191 4.140 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1ccc(Oc2ccccc2)cc1 506329951 SOXTZGBDYIMFKH-IRXDYDNUSA-N 433.464 4.383 5 20 IIBD COc1ccc(-c2nc(C[S@](=O)CCC(=O)Nc3ccccc3[N+](=O)[O-])cs2)cc1 507696382 DBZVUZRTOPSYGO-SSEXGKCCSA-N 445.522 4.004 5 20 IIBD COCCn1cc2c(n1)[C@H](Nc1ccc(C(=O)Nc3ccc(C)cc3)cc1[N+](=O)[O-])CCC2 507898514 MBFGFXWAIJLREQ-OAQYLSRUSA-N 449.511 4.488 5 20 IIBD CSc1cccc(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)c1 509014028 QTUIHPRAKJYSOZ-UHFFFAOYSA-N 428.251 4.482 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2ncco2)cc1 509282851 BIIPZKCXZBUYMO-UHFFFAOYSA-N 449.204 4.415 5 20 IIBD Cc1c(C(=O)Nc2c(O)c(Cl)cc(Cl)c2Cl)nnn1-c1cccc([N+](=O)[O-])c1 509488672 LWUQHZCXYJVQOT-UHFFFAOYSA-N 442.646 4.402 5 20 IIBD O=C(CN[C@@H](CCO)c1ccc(Cl)c(Cl)c1)Nc1ccc([N+](=O)[O-])cc1Cl 512168973 WQZGDRBZXCWQNN-HNNXBMFYSA-N 432.691 4.207 5 20 IIBD NC(=O)N1CCc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)ccc21 512223817 FZVNHAMSVPTQTJ-UHFFFAOYSA-N 434.477 4.440 5 20 IIBD O=C(Nc1ccc(Cl)c(F)c1N1CCOCC1)c1cc([N+](=O)[O-])ccc1OC(F)F 512896095 PLQPEAMRURKALO-UHFFFAOYSA-N 445.781 4.078 5 20 IIBD COc1cc(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)cc(OC)c1OC 515626683 YNTVPKYKPMHEHF-UHFFFAOYSA-N 443.481 4.234 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(OCc2noc(C3CC3)n2)cc1 517643085 MWVHOVSUBKKKHE-UHFFFAOYSA-N 426.454 4.165 5 20 IIBD COCCOc1c(Cl)cccc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 519097636 IAWGNVUADRESSA-UHFFFAOYSA-N 433.892 4.129 5 20 IIBD COc1cc(CNCCN2CCc3ccccc3C2)ccc1OCc1ccc([N+](=O)[O-])cc1 520951814 NQJSIQFOMKTHKR-UHFFFAOYSA-N 447.535 4.330 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 521821033 UNHFLEYABXSABB-UHFFFAOYSA-N 443.525 4.175 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCOc2c(-c3ccccc3)cccc21 522486409 CMKKKAKZHPYDIG-FQEVSTJZSA-N 431.448 4.149 5 20 IIBD O=C(Nc1ccc(Br)cc1)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 523362315 DYNLUWVBORUJEA-UHFFFAOYSA-N 447.289 4.240 5 20 IIBD CC(C)C(=O)NC[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 523555148 TXQYTIQTKPXZSU-QGZVFWFLSA-N 425.485 4.012 5 20 IIBD O=C(NCCNC(=O)c1ccc(F)cc1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 524223443 RSLRNKULWBDISQ-UHFFFAOYSA-N 438.415 4.078 5 20 IIBD COc1cc(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)cc([N+](=O)[O-])c1OC 525539451 BMYCKQSCIQBZLV-UHFFFAOYSA-N 441.484 4.045 5 20 IIBD COc1cc(C(=O)N[C@H](C)c2cnn(C)c2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 525562482 LHAUNLDWOKBGSK-GFCCVEGCSA-N 430.848 4.274 5 20 IIBD COc1ccc(-c2ccc(CNc3ccc(NC(=O)CCN(C)C)cc3)o2)c([N+](=O)[O-])c1 532888748 LOYOWRUHSCZMDT-UHFFFAOYSA-N 438.484 4.366 5 20 IIBD O=[N+]([O-])c1ccccc1-c1ccc(CNc2cccc(N3CCCS3(=O)=O)c2)s1 532890281 BEOZQVSBCMRKRY-UHFFFAOYSA-N 429.523 4.475 5 20 IIBD Cc1ccc(NC(=O)C(=O)NCCSCc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 537061491 NVDXDLCQGHDXDH-UHFFFAOYSA-N 442.324 4.198 5 20 IIBD CCOC(=O)[C@@H](c1ccc(Cl)cc1)N(CC)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 537898584 AALXHIGNURXLKL-LJQANCHMSA-N 444.875 4.425 5 20 IIBD CC1CCC(N2C[C@H](C(=O)N(C)c3nc(-c4ccccc4[N+](=O)[O-])cs3)CC2=O)CC1 538255844 QVVWTPUARAFUKS-HWOWSKLDSA-N 442.541 4.108 5 20 IIBD Cc1ccc([C@@H](C)NCC(=O)N(C)Cc2cc(Br)cs2)cc1[N+](=O)[O-] 539379226 LCAYNFMXEDVXOP-GFCCVEGCSA-N 426.336 4.036 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CNCc3nnc4ccc(C(F)(F)F)cn34)cs2)c1 539713118 RASKQZFZEVQKOJ-UHFFFAOYSA-N 434.403 4.070 5 20 IIBD C[C@H](C(=O)Nc1ccc(NC(=O)CCN2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1F 541604533 JTQHYPGMLBVEJW-INIZCTEOSA-N 442.491 4.291 5 20 IIBD Cc1nc(-c2ccccc2F)sc1[C@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 541739092 ULKGRARTQAJHIM-ZDUSSCGKSA-N 449.529 4.290 5 20 IIBD O=C(Nc1cccc2c1CN(c1nccs1)C2)c1ccc(OC(F)F)c([N+](=O)[O-])c1 542890509 PHAZYQSIMPYPFU-UHFFFAOYSA-N 432.408 4.425 5 20 IIBD CN(C)C(=O)C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c2ccc(Cl)cc21 551409601 QTYJDYAIPCCDJY-CQSZACIVSA-N 429.904 4.135 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cn(Cc2ccccc2)c2ccccc2c1=O 553086819 MEJXJQWYNOYZEO-UHFFFAOYSA-N 441.487 4.273 5 20 IIBD COc1ccccc1-c1csc([C@@H]2CCCN(c3cccc(C(N)=O)c3[N+](=O)[O-])C2)n1 553230966 LCTAPYPMKLZZEG-CQSZACIVSA-N 438.509 4.210 5 20 IIBD C[C@H]1C[C@@H](O)CCN1C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 554185716 XMNSCAVOPMIUST-JSGCOSHPSA-N 429.523 4.341 5 20 IIBD NC(=O)c1cccc(N[C@@H]2CCCc3c2[nH]c2ccc(Br)cc32)c1[N+](=O)[O-] 554689979 NNJXWYUOOANEOC-OAHLLOKOSA-N 429.274 4.427 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc(Br)c2Cl)cc1[N+](=O)[O-] 555279531 KCZNMDCSNOXVPQ-SNVBAGLBSA-N 440.681 4.135 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nc2cc(Br)ccc2o1 560564635 BCJSLCKODXVQSD-JTQLQIEISA-N 436.287 4.296 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCCCO[C@@H]2CCCCO2)cc1 561392294 GGRWTYFIHANLKS-OAQYLSRUSA-N 430.457 4.059 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNc3nnc(-c4ccco4)o3)o2)c(Br)c1 561977134 FVYVGNSUVFOOTR-UHFFFAOYSA-N 431.202 4.872 5 20 IIBD Cc1cc([N+](=O)[O-])cc(Cl)c1NCc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1 563556955 DLNXCSNPBWRZDE-OAQYLSRUSA-N 428.876 4.394 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCCC[C@H]1c1ncc(-c2ccccc2)[nH]1 564192552 GYGVYBYMXYJZOW-SFHVURJKSA-N 430.461 4.040 5 20 IIBD C[C@@H](C(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1)c1cccc([N+](=O)[O-])c1 566715753 LMESXSSPEFDECA-QGZVFWFLSA-N 427.464 4.262 5 20 IIBD O=C(c1ccccc1[N+](=O)[O-])N1CCN(C(=O)C2(Cc3cccs3)CCCCC2)CC1 570596895 MHULWUIUMSKNJI-UHFFFAOYSA-N 441.553 4.134 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccnn1CCc1ccccc1 573188573 CUKMAHKQFYJRKM-UHFFFAOYSA-N 429.274 4.357 5 20 IIBD CC(C)(c1nc(-c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)no1)S(=O)(=O)C1CC1 577680196 UFVALTQTSCLIEM-UHFFFAOYSA-N 429.454 4.249 5 20 IIBD Cc1cc(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])c2cnn(Cc3cccs3)c2n1 580342501 ZXKFLLDTGAXWKH-UHFFFAOYSA-N 435.509 4.072 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(-c2nnc(-c3ccccc3)o2)no1 584377639 YPYOOXLIIDKNRR-UHFFFAOYSA-N 428.202 4.433 5 20 IIBD CC(C)=CCSc1ccccc1C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 590530747 BHBCMUGMTZZPHM-UHFFFAOYSA-N 439.537 4.251 5 20 IIBD COCCN(Cc1ccc(C)cc1C)C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] 603529126 LGOCEFJGJKAHFB-UHFFFAOYSA-N 438.427 4.110 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCc3csc(C)n3)c([N+](=O)[O-])c2)c(C)c1 603866357 RGQHRHSXAARZME-UHFFFAOYSA-N 432.527 4.389 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(CCN3CCCCC3)cc2)cc1OC 604027986 FJIZUSKKEPZTKJ-UHFFFAOYSA-N 427.501 4.283 5 20 IIBD O=C(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)Nc1ccc(Cl)c(C(F)(F)F)c1 608869818 PPGCWXKGYBGWRF-UHFFFAOYSA-N 425.754 4.164 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCc3ccc(Cn4cncn4)cc3)c([N+](=O)[O-])c2)cc1 608972600 ZNLHJMXPEFGPRE-UHFFFAOYSA-N 442.479 4.407 5 20 IIBD COc1cc(C(=O)N2C[C@@H](C)Cc3ccccc32)c([N+](=O)[O-])cc1OCc1cscn1 609219046 CPGGRLCJMYNXCD-AWEZNQCLSA-N 439.493 4.478 5 20 IIBD CCc1nc([C@H]2CCCCN2C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])no1 609975227 KWAYKCVPRHBICU-GFCCVEGCSA-N 444.435 4.405 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1SC 610597857 IEQCZPNUJFTIJK-RKDXNWHRSA-N 432.342 4.138 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H](C)C[C@H]2CCOC2)cc1[N+](=O)[O-] 610742747 SKTCYRLOQVWVIH-HUUCEWRRSA-N 428.510 4.093 5 20 IIBD CCCc1[nH]nc(C(=O)N2CCC(c3ccccc3C(=O)OC(C)(C)C)CC2)c1[N+](=O)[O-] 615294339 BHKXVOSURKRQSY-UHFFFAOYSA-N 442.516 4.246 5 20 IIBD O=[N+]([O-])c1ccc2oc(CNC3(c4cccc(OC(F)(F)F)c4)CCOCC3)nc2c1 618545258 DVMNZBRQCAGKFL-UHFFFAOYSA-N 437.374 4.430 5 20 IIBD CN(Cc1ccccc1)[C@H]1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 618584859 UQWQVBHDDGUHNS-AWEZNQCLSA-N 430.377 4.355 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(OCc2ccccc2F)CC1 619805849 IHJQRJQBOHRNTC-UHFFFAOYSA-N 425.464 4.198 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Br)Nc1c(Cl)cccc1Cl 725986503 ZUAXHGDBSLSWME-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD C[C@@H](NC(=S)NNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1cccs1 726432613 PHZLRLMJULSDTH-SSDOTTSWSA-N 435.409 4.136 5 20 IIBD Cc1ccc(C2=CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)cc1 726500499 ZSFFFMOEGYYRTE-QHCPKHFHSA-N 433.508 4.132 5 20 IIBD C[C@@H]1CCN(C(=O)c2ccc(I)c([N+](=O)[O-])c2)[C@H]2CCCC[C@@H]21 727749967 WKCNBECIYKFEDU-KYOSRNDESA-N 428.270 4.240 5 20 IIBD O=Cc1ccc(OCC(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)c([N+](=O)[O-])c1 731619050 VPKCOCWEEFBBBG-UHFFFAOYSA-N 448.410 4.031 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)cc1Br 731780994 PQTOFXISONXBGM-UHFFFAOYSA-N 440.319 4.148 5 20 IIBD Cc1nc(-c2cccs2)ccc1C(=O)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 735338814 ANLFSKOQSSGEMF-UHFFFAOYSA-N 439.449 4.182 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 735430613 BBRACZFRXXQGOG-UHFFFAOYSA-N 431.754 4.290 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Oc1cccc(Br)c1 742268226 UOFNIFVLCWRAQP-UHFFFAOYSA-N 427.059 4.432 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 742557456 FTSMUDKFMJWZNZ-IBGZPJMESA-N 429.521 4.014 5 20 IIBD CC[C@H](OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccc(OC)cc1 745565864 WPCXLGVBLUHEQN-INIZCTEOSA-N 426.347 4.196 5 20 IIBD CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)CN(C)c1ccccc1[N+](=O)[O-] 745616464 YRTYIRCWZLCGQO-UHFFFAOYSA-N 427.501 4.460 5 20 IIBD O=[N+]([O-])c1ccc(NCCO)c(NCc2ncc(-c3cccc(Br)c3)o2)c1 745992258 FOBVUVGKJOTGMX-UHFFFAOYSA-N 433.262 4.029 5 20 IIBD COc1cccc([C@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)c2cc(F)ccc2OC)c1 746532687 LQQVZZYQSPKBGW-NRFANRHFSA-N 428.391 4.410 5 20 IIBD CCOc1ccc([C@@H]2CCCN2C(=O)COC(=O)c2ccc(CC)c([N+](=O)[O-])c2)cc1 747013113 XRNPRAYGSDCSBP-FQEVSTJZSA-N 426.469 4.076 5 20 IIBD CC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 747962272 PHBSVUVGOSGBEJ-GFCCVEGCSA-N 439.449 4.105 5 20 IIBD O=C(NCc1ccc(OCCOc2ccccc2)nc1)c1cccc(Cl)c1[N+](=O)[O-] 749916991 ZKJNFKBTZCGQLE-UHFFFAOYSA-N 427.844 4.031 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)OCc2cc3c(Cl)cccc3[nH]2)ccc1[N+](=O)[O-] 754714973 GXQDTYVNTMGDLA-FQEVSTJZSA-N 441.871 4.386 5 20 IIBD O=C(Nc1ccc(CCC(=O)N2CCCC2)cc1)c1cccc([N+](=O)[O-])c1Br 758137742 WGGOOVQJCYBYID-UHFFFAOYSA-N 446.301 4.165 5 20 IIBD Cc1cc(F)cc(C(=O)N2CCC(N(CC3CC3)C(=O)OC(C)(C)C)CC2)c1[N+](=O)[O-] 758537811 XGCVHDLHCJPPRV-UHFFFAOYSA-N 435.496 4.294 5 20 IIBD C[C@H](OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)Nc1cccc(C(F)(F)F)c1 758740423 RFPVCYMVSYPVCC-NSHDSACASA-N 435.358 4.208 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3ccc(-n4ccnc4)cc3)n2)c(Br)c1 762260545 IOYXVBAUBZSHDL-UHFFFAOYSA-N 426.230 4.184 5 20 IIBD Cc1c(Cc2noc(-c3ccc(CS(=O)(=O)c4ccccc4)o3)n2)cccc1[N+](=O)[O-] 762318763 GZFBXVFSPZXLLS-UHFFFAOYSA-N 439.449 4.111 5 20 IIBD CCO[C@H]1C[C@H](N(C)Cn2nc(-c3ccc([N+](=O)[O-])cc3)n(CC)c2=S)C12CCC2 765076642 ILKWFCRQJMCGBY-ROUUACIJSA-N 431.562 4.246 5 20 IIBD Cn1c(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)nc2ccc(F)cc21 768555690 WYNNEXPKSIFGLL-UHFFFAOYSA-N 427.617 4.289 5 20 IIBD C[C@H](Cc1noc(-c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1)N(C)C(=O)OC(C)(C)C 771127271 SBYBGAWTQPVSLM-SNVBAGLBSA-N 430.383 4.462 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CC[C@H](OC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 771299892 NXCYZTAAWVJNEZ-QAQDUYKDSA-N 433.505 4.188 5 20 IIBD C[C@@H]1C[C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCN1C(=O)OC(C)(C)C 773803404 PLSGWSFRRKTXJU-QZTJIDSGSA-N 449.551 4.059 5 20 IIBD Cc1nn(CC(=O)O[C@@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])c(C)c1Cl 774373158 KIPRMOAGGTZINJ-INIZCTEOSA-N 444.713 4.256 5 20 IIBD Cc1c(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 778139039 UYZTVMLARWCNHZ-ZDUSSCGKSA-N 449.847 4.441 5 20 IIBD CC[C@@]1(O)CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)C1 779344201 XBDCCPIPLPCBRS-RUZDIDTESA-N 437.540 4.041 5 20 IIBD CC(=O)N(c1ccc(Cl)cc1)c1nc(COC(=O)c2cc(O)cc([N+](=O)[O-])c2)cs1 780076505 QRWIXCXYHKHJPU-UHFFFAOYSA-N 447.856 4.452 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 782723395 HVEHVHBEFKWLGB-NWDGAFQWSA-N 444.435 4.154 5 20 IIBD C[C@@H]1CC[C@@H](C)N1CC(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 785744129 OAZRFJDPGRINST-VTJXTGGHSA-N 445.903 4.344 5 20 IIBD Cc1cnc(COC(=O)c2c(C)nn(Cc3ccc(F)cc3)c2Cl)c(C)c1[N+](=O)[O-] 789443545 DIASGBWOASAUFA-UHFFFAOYSA-N 432.839 4.309 5 20 IIBD Cc1c(CNC(=O)NC[C@H](O)c2cccc(OCc3ccccc3)c2)cccc1[N+](=O)[O-] 790564342 KWPMQYOBWXVPDZ-QHCPKHFHSA-N 435.480 4.015 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1nc(Br)ccc1Br 792525993 VIYUJAQRIIYTBX-UHFFFAOYSA-N 436.994 4.045 5 20 IIBD CCOc1ccc([C@H](O)C2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 794537593 XODUWYDFKQRGSL-QFIPXVFZSA-N 432.904 4.162 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 794753753 QVDZDRAOMDXVQZ-QGZVFWFLSA-N 431.514 4.329 5 20 IIBD Cc1ccc([C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c2ccccn2)cc1 795244731 UKZOLTHNLOXGSD-HXUWFJFHSA-N 431.901 4.328 5 20 IIBD CCCc1[nH]nc(C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)c1[N+](=O)[O-] 796266007 QKJSWRCRDCFHSS-UHFFFAOYSA-N 438.465 4.257 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCCC4(CCN(C)CC4)C3)cc2[N+](=O)[O-])C1 799030036 WNIOHVSAHSFMON-KDURUIRLSA-N 428.577 4.025 5 20 IIBD C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)cc1Cl 801826229 MYRRYLMIQKTPDG-NSHDSACASA-N 434.855 4.236 5 20 IIBD O=C(Nc1nncn1C1CC1)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 803519374 DVMDHIWTXFZJOF-UHFFFAOYSA-N 446.511 4.233 5 20 IIBD C[C@H](Cc1cncc2ccccc12)C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 805678691 NNNSROUPFBEQTR-CYBMUJFWSA-N 427.844 4.157 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Br)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 808914443 JUOZRPVBCSOKGC-ZHALLVOQSA-N 431.286 4.002 5 20 IIBD C[C@@](O)(CSc1cccc(F)c1)c1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 809434236 VDDFKDSTXNMPPQ-HXUWFJFHSA-N 428.445 4.189 5 20 IIBD Cc1c([N+](=O)[O-])cn(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c(=O)c1Br 809962946 GWHVZQLTBHUSCL-UHFFFAOYSA-N 437.033 4.091 5 20 IIBD C[C@H](C(=O)N1CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1cccc([N+](=O)[O-])c1 810950114 XEGARZFXWOENBM-LPHOPBHVSA-N 431.533 4.194 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C(=O)N[C@@H](C)c1cccc2ccccc12 854158471 XFNKKQYRRIFRFN-HOTGVXAUSA-N 435.480 4.237 5 20 IIBD Cc1cccc(C(=O)O[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)n1 891959085 SIMCQBZVGFTDFR-IBGZPJMESA-N 425.828 4.488 5 20 IIBD O=C(OCc1ccc(SC(F)F)cc1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 916057705 ULVGYLGNNCNGLO-GFCCVEGCSA-N 440.399 4.145 5 20 IIBD CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1 916072038 WCHGJCXYCHRRIN-AWEZNQCLSA-N 443.460 4.176 5 20 IIBD CSc1ccc(C(=O)COC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1NC(C)=O 919212529 TYCIETJOOXCXKD-UHFFFAOYSA-N 428.422 4.061 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)OCC(=O)c1ccc(NC(=O)c2ccccc2)cc1 921139015 FEBUQNCCZOTXRA-NVNXTCNLSA-N 430.416 4.286 5 20 IIBD O=C(NCc1ccco1)c1ccccc1NCc1ccc([N+](=O)[O-])cc1Br 1116646806 QITHZAPNYNTTNK-UHFFFAOYSA-N 430.258 4.492 5 20 IIBD CCCN(Cc1ccc(Br)c([N+](=O)[O-])c1)Cc1nc(O)c2sccc2n1 1321272520 BRLQACKRDAOLPC-UHFFFAOYSA-N 437.319 4.480 5 20 IIBD O=c1oc2cc([N+](=O)[O-])ccc2n1CCCc1nnc(CSc2ccc(Cl)cc2)o1 1326131498 LZVWNAGPIYAMOJ-UHFFFAOYSA-N 446.872 4.464 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(Cn1nc(-c3cccs3)n(C[C@@H]3CCCO3)c1=S)C2 1329965065 CVBGLRBSQWLMFP-KRWDZBQOSA-N 443.554 4.203 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)CCC1)c1ccns1 1790622020 HSZMXKFIPMXSNX-UHFFFAOYSA-N 440.456 4.252 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21)c1ccc([N+](=O)[O-])o1 1797868242 OBFYSPRLQIQYNM-KCTOORRSSA-N 429.517 4.046 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC2(CCCN(C(=O)c3ccc(F)s3)C2)CC1 1807288704 LCUGGTJPJVYIGV-UHFFFAOYSA-N 449.479 4.093 5 20 IIBD C[C@@H]1CCC[C@H]1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])[nH]n1 1818959337 RWTSJUQUNKVQBD-LBTNJELSSA-N 443.479 4.199 5 20 IIBD O=C(c1ccccc1)N1CCC([C@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1823679401 GCHGSWUKRJQFMM-HSZRJFAPSA-N 435.524 4.071 5 20 IIBD C[C@@H](OC(=O)c1ccccc1CSC1=NCCS1)C(=O)Nc1ccc([N+](=O)[O-])cc1 9556486 BFOLLTPONGMYKM-CYBMUJFWSA-N 445.522 4.115 5 20 IIBD O=C(CSc1nc2ccccc2s1)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 22204638 JILSBYANURPXBE-UHFFFAOYSA-N 428.451 4.090 5 20 IIBD O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O)c1cccc([N+](=O)[O-])c1 45949387 REJSKGKDGXCDIB-UHFFFAOYSA-N 447.856 4.007 5 20 IIBD COc1cc(Cl)ccc1CNCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] 237176295 PTTMHCHQLDQCJY-UHFFFAOYSA-N 434.798 4.496 5 20 IIBD COc1ccc(CNCc2cn3cccc(C)c3n2)cc1OCc1ccc([N+](=O)[O-])cc1 237271384 GXQKEMQUVLHYOZ-UHFFFAOYSA-N 432.480 4.428 5 20 IIBD Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 301631153 JCLQEUHLHGCLAW-INIZCTEOSA-N 440.953 4.154 5 20 IIBD CC(C)(C)NS(=O)(=O)c1ccccc1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 303037221 SABHYPKAJVZZBL-UHFFFAOYSA-N 433.530 4.221 5 20 IIBD CS(=O)(=O)c1cc(C(=O)NCc2ccccc2-c2ccc(Cl)cc2)cc([N+](=O)[O-])c1 303131089 KKTGSTOGIFWHAW-UHFFFAOYSA-N 444.896 4.249 5 20 IIBD O=C(NCCCC(=O)N1Cc2ccccc2C1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 303510452 OMSWZHQKZFOKSG-UHFFFAOYSA-N 445.475 4.440 5 20 IIBD O=C(NCC1(O)CCCCCC1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 303823011 YCEJREMPCODRGW-UHFFFAOYSA-N 443.466 4.032 5 20 IIBD C[C@H](O)CN(C)C(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 428679217 ZHYAKCWJMINMSP-HZGBGQKMSA-N 431.492 4.473 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CN1CCOC[C@@H]1c1c(C)nn(Cc2ccccc2)c1C 430216230 IKTVRSBWPHMWSS-JOCHJYFZSA-N 436.512 4.039 5 20 IIBD CCN(CC)C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 430835152 AQJFTMCHWDNTJW-YADHBBJMSA-N 441.576 4.087 5 20 IIBD O=C(C[C@@H]1CCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cccs1 432304687 BUYGLXAJIFRTAL-KRWDZBQOSA-N 430.529 4.480 5 20 IIBD CCc1cc(=NC(=O)c2c(C)nc(-c3ccco3)nc2SC)c2cc([N+](=O)[O-])ccc2[nH]1 432992740 ALPFMVBROHOJPT-UHFFFAOYSA-N 449.492 4.460 5 20 IIBD CCCN(C(=O)c1ccccc1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C)C(C)C 433596377 OACCNLMBPKGEHN-UHFFFAOYSA-N 433.530 4.273 5 20 IIBD O=C(NCc1c(F)cc(F)c(F)c1F)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 435911176 JHPKVNBLPDSXTJ-UHFFFAOYSA-N 436.311 4.446 5 20 IIBD CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1 436078109 PRIATMQJKKPHOC-MRXNPFEDSA-N 427.504 4.140 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCO[C@H](c2ccccc2F)C1 436335688 HINOXKKHTGFWGH-NRFANRHFSA-N 438.405 4.312 5 20 IIBD COc1cc(C(=O)NCC2(N(C)C)CCC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 438535521 RJOARURZWNJZEA-UHFFFAOYSA-N 433.892 4.263 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](Cc1ccccc1)c1ccccc1 440057445 WDOWYOMGHGMJLE-HXUWFJFHSA-N 447.491 4.075 5 20 IIBD CCOc1ccc(NC(=O)CN[C@@H](c2cccc(Cl)c2)c2ccccn2)c([N+](=O)[O-])c1 441057140 ZXIFDLFQNUCMAT-QFIPXVFZSA-N 440.887 4.360 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1)NC1(c2cccc(OC(F)(F)F)c2)CCOCC1 445166313 PKDGZBDBBWIVCJ-UHFFFAOYSA-N 425.363 4.321 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 445820172 RPDUJZLUTZSSAH-UHFFFAOYSA-N 428.441 4.138 5 20 IIBD O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1sc(Br)cc1[N+](=O)[O-] 446098527 GRCKQXMPGINVJF-UHFFFAOYSA-N 438.303 4.297 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(Cc3ccc4ccccc4c3)o2)cc1C 446787037 WTJSROZVXDPECQ-UHFFFAOYSA-N 438.465 4.139 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N1CCc2sccc2[C@H]1c1cccs1 446893453 SVZGTVMIXSBNQR-IBGZPJMESA-N 439.522 4.451 5 20 IIBD Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 447426923 GDMYQQLXFDQLEP-OAHLLOKOSA-N 429.782 4.305 5 20 IIBD Cc1nnc(-c2cccc(NC(=O)c3ccc(N4C[C@@H](C)C[C@H](C)C4)c([N+](=O)[O-])c3)c2)n1C 448193440 LHBNEPDUWGBCEO-HOTGVXAUSA-N 448.527 4.433 5 20 IIBD COc1ccc(CCCN(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 462188461 ICLXWEDHGWXZMU-UHFFFAOYSA-N 433.313 4.164 5 20 IIBD O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(Br)c(Cl)c2)c2cccnc12 462369825 OJPQEWGUEBQSIQ-UHFFFAOYSA-N 442.678 4.360 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C[S@](=O)C2CCOCC2)c1 462640485 QJYGVCMBBIOULG-KKIUXKEOSA-N 444.553 4.230 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC[C@](CO)(Cc2ccccc2)C1 462922698 CXFTVWNXRJFDCG-MHZLTWQESA-N 426.516 4.139 5 20 IIBD COc1cc([C@H]2Nc3ccc(Cl)cc3C(=O)N2c2ccncc2)c([N+](=O)[O-])cc1O 463011625 PFRFRUAKHMFOJJ-IBGZPJMESA-N 426.816 4.129 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCC[C@@](CO)(Cc2ccccc2)C1 463656623 ROSSRRCIHWDXLH-HXUWFJFHSA-N 437.418 4.463 5 20 IIBD COc1cc(C(=O)N2C[C@@H]3[C@@H](C2)[C@H]2CC[C@H]3O2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 465311684 BDQMDFYFJQYNQT-JOCBIADPSA-N 444.871 4.299 5 20 IIBD C[C@@H](CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)COCc1ccccc1 465744407 CVGXKLFYWDSTGV-SFHVURJKSA-N 427.501 4.001 5 20 IIBD Cc1ccc(-c2csc(NC(=O)[C@@H]3[C@H](C(F)(F)F)[C@H]4CC[C@H]3O4)n2)cc1[N+](=O)[O-] 467848844 FBYCWOYUXMYIHC-APIJFGDWSA-N 427.404 4.321 5 20 IIBD CCOC(=O)c1cc(C(=O)N[C@H](C)c2ccc(Br)s2)cc([N+](=O)[O-])c1 468167452 BCMHTBJUQJCGKM-SECBINFHSA-N 427.276 4.087 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1CCc2c(O)ncnc2C1 468297775 SRZINJXRNUSDQR-UHFFFAOYSA-N 442.884 4.094 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CCCSc3ccc(F)cc32)c1 469147361 ZZTKTVADIMQXBE-UHFFFAOYSA-N 447.307 4.188 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 470733664 SYOZKNUPNWAYRC-UHFFFAOYSA-N 439.447 4.370 5 20 IIBD Cc1ccccc1Cc1nnc(CSCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)o1 471428502 OYBFTOSIUCJPME-UHFFFAOYSA-N 440.481 4.108 5 20 IIBD Cc1nc(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)oc1-c1ccc(Cl)cc1 473665168 NGBWEFLOINVNMJ-UHFFFAOYSA-N 426.860 4.480 5 20 IIBD O=C1CNC(=O)N1c1cc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)ccc1F 475626465 OHQUDZCDPXDJQE-UHFFFAOYSA-N 444.806 4.316 5 20 IIBD Cc1ccc(-c2n[nH]c(NC(=O)c3ccn(-c4c(Cl)cc([N+](=O)[O-])cc4Cl)n3)n2)o1 479467458 ZKXFBMSNDGCPCO-UHFFFAOYSA-N 448.226 4.026 5 20 IIBD O=C(N[C@@H]1CCN2CCCC[C@@H]12)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 481388982 ZDZHRYPZFQEYFR-UXHICEINSA-N 428.920 4.217 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1 484541585 IOVDLQJLYOPYMN-KRWDZBQOSA-N 445.476 4.030 5 20 IIBD CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 486186412 BCVIYKMEQYGSIZ-LJQANCHMSA-N 435.484 4.154 5 20 IIBD Cc1ccc(NC(=O)c2ccccc2)cc1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 486424964 OTPLEQBHCOWMQS-UHFFFAOYSA-N 430.464 4.157 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(Oc2cccnc2)cc1 487901511 VRQAGBHNBDBJNV-HOTGVXAUSA-N 436.468 4.469 5 20 IIBD C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 488857116 AYWXVHRZNYTGTO-HNNXBMFYSA-N 432.484 4.123 5 20 IIBD C[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(NC(=O)NC2CC2)cc1 489619036 FUNKBJYOOSZKRP-HNNXBMFYSA-N 437.500 4.314 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 490609716 BVDMDUDIJUEYPQ-QMMMGPOBSA-N 436.337 4.063 5 20 IIBD CN(C(=O)CN[C@@H](c1ccccc1OC(F)F)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 491356955 UCKPSISQNHNQPF-INIZCTEOSA-N 433.333 4.052 5 20 IIBD COc1cc(CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)c([N+](=O)[O-])cc1OCC(F)F 491922130 XJDDVEMVIZZRBU-CQSZACIVSA-N 447.442 4.021 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 493905041 QYWNDQWJEPMLID-MRXNPFEDSA-N 427.526 4.220 5 20 IIBD CCOc1cc(NC(=O)c2cnc3c(cnn3CC(C)C)c2)c([N+](=O)[O-])cc1OCC 498315293 IMDMNJHQUKSKLI-UHFFFAOYSA-N 427.461 4.045 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](c2cccc(Br)c2)C1 500268971 YRWFSOKHSVNOOC-IBGZPJMESA-N 448.317 4.150 5 20 IIBD COCCCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 502786164 XGDLTIGJZHYYPZ-LELZANKISA-N 426.517 4.308 5 20 IIBD Cn1ccnc1Sc1ccc(F)cc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 503603860 YQJGYSOUIFQYBF-UHFFFAOYSA-N 438.444 4.057 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N(C)CCc2cccc3ccccc23)cc1OC 505091371 VINQCFLTGIWRJK-UHFFFAOYSA-N 438.480 4.097 5 20 IIBD COc1cc(CN2CCO[C@@H](c3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F 506327692 RCNYDDXIJJCIEL-LJQANCHMSA-N 426.391 4.118 5 20 IIBD CC(C)(C)c1cc(NC(=O)COc2c(Cl)cncc2[N+](=O)[O-])n(-c2ccccc2)n1 506553029 SAVWETYCVWPUIQ-UHFFFAOYSA-N 429.864 4.144 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1 506822530 KTHHCJMWDFJCMX-UHFFFAOYSA-N 449.467 4.247 5 20 IIBD COc1cc(Br)c(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1OC 509358486 OZFPTOAEOKRLKX-JTQLQIEISA-N 441.303 4.494 5 20 IIBD Cc1[nH]c2ccccc2c1CC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 512529684 BDVVHQJJTJDQMP-UHFFFAOYSA-N 446.429 4.295 5 20 IIBD O=C(c1nc(-c2cccs2)n(-c2ccccc2)n1)N1CCCc2c1cccc2[N+](=O)[O-] 513833768 IPQJXYAIJDHJAO-UHFFFAOYSA-N 431.477 4.497 5 20 IIBD CCOc1ccc([C@@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c2ccccc2)cc1 514807665 BBMRACPTTHHSEZ-QHCPKHFHSA-N 443.463 4.094 5 20 IIBD C[C@@H](NC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1)c1cccc([N+](=O)[O-])c1 518478323 YDTUPSUNFXEZPB-CABCVRRESA-N 447.333 4.244 5 20 IIBD CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 520098178 OOQOSIRWZFXQPS-QWHCGFSZSA-N 449.891 4.082 5 20 IIBD O=[N+]([O-])c1ccc(-n2cc(-c3nc(-c4cccc(CN5CCCCC5)c4)no3)cn2)cc1 521046758 NMOFJFBRVWQNPR-UHFFFAOYSA-N 430.468 4.483 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N(C2CC2)[C@@H]2CCc3ccccc32)c1 521286790 FYGQCYOXHDLWIX-GOSISDBHSA-N 437.315 4.198 5 20 IIBD CCCc1[nH]nc(C(=O)NC[C@@H](c2ccc(OC)cc2)c2c[nH]c3ccccc23)c1[N+](=O)[O-] 521858542 UGWDBWNBUOJZJP-SFHVURJKSA-N 447.495 4.322 5 20 IIBD Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)cc1[N+](=O)[O-] 522733875 SSZHKAFTMWQTJL-UHFFFAOYSA-N 431.514 4.109 5 20 IIBD COCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl 522738839 XTFOEGAIYGDVQA-UHFFFAOYSA-N 432.782 4.473 5 20 IIBD CCOC(=O)c1ccnc(NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)c1[N+](=O)[O-] 523112663 VVQRPBOQOKOCMH-INIZCTEOSA-N 436.871 4.208 5 20 IIBD O=C(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)Nc1ccc(N2CCc3ccccc32)cc1 524030346 VVCXZWUSBPUWNS-UHFFFAOYSA-N 440.463 4.186 5 20 IIBD COC(=O)CCSCc1cccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 535355073 PYCBWXSQYDWQJG-UHFFFAOYSA-N 427.482 4.054 5 20 IIBD O=C(CN1CCC2(CC1)CCN(Cc1ccccc1)C2)Nc1ccc([N+](=O)[O-])cc1Cl 536486217 RLWQRDHZHFEAKO-UHFFFAOYSA-N 442.947 4.175 5 20 IIBD COc1cc(CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)c([N+](=O)[O-])cc1OC(F)F 540589262 SLXXVSPNIYUACU-HXUWFJFHSA-N 436.411 4.217 5 20 IIBD O=C1[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCN1c1ccccc1F 540627973 QIBFBELFKVAETB-SFHVURJKSA-N 426.473 4.143 5 20 IIBD CCc1cc(N2CCC(N[C@H](c3ccc([N+](=O)[O-])cc3)c3ccc(CC)o3)CC2)ncn1 542474075 ZXRGILNBKWVAEQ-XMMPIXPASA-N 435.528 4.451 5 20 IIBD COC(=O)[C@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)cc1Cl 542533290 LLKHZRDJOWBLNF-XXFAHNHDSA-N 429.231 4.175 5 20 IIBD CCOc1cccc2cc([C@H](C)NCCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)oc12 542587691 UIXZUNMWEREWPS-AWEZNQCLSA-N 425.441 4.389 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CCC[C@H]1[C@H](O)C(F)(F)F 544552220 GCWZYXCTHIDINU-RDJZCZTQSA-N 432.464 4.405 5 20 IIBD CC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1OCC(=O)N1CCCC1 544623628 JHBRTUBLUUYLPG-GOSISDBHSA-N 444.463 4.008 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCC2(CN(C)C)CCCC2)cc1[N+](=O)[O-])c1ccccn1 545371753 AOOOUQZLISOEJB-QGZVFWFLSA-N 425.533 4.015 5 20 IIBD COc1cc(Cc2noc(COc3ccc([N+](=O)[O-])cc3)n2)ccc1OCC(F)(F)F 546353112 UUARJSVOGDOQEH-UHFFFAOYSA-N 439.346 4.097 5 20 IIBD Cc1noc(C)c1CSCc1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 546444940 BYCLZCOLGPFCSM-UHFFFAOYSA-N 439.291 4.369 5 20 IIBD O=C(Nc1cccc2ocnc12)c1cc(C(=O)Nc2cccc3ocnc23)cc([N+](=O)[O-])c1 551633077 FSZRMTBHMGFWJW-UHFFFAOYSA-N 443.375 4.382 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CC[C@@H](C(F)(F)F)[C@H](CO)C1 562214015 BZMXLACKBJUBME-SCLBCKFNSA-N 439.390 4.412 5 20 IIBD COc1cc(Cc2noc(C[C@H](c3ccccc3)C(F)(F)F)n2)c([N+](=O)[O-])c(OC)c1 563593123 JGOROFSMXAGTIP-OAHLLOKOSA-N 437.374 4.474 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(-c2ccc(-c3nnco3)cc2)no1 564273758 NWDVXDCJJPXYTK-UHFFFAOYSA-N 428.202 4.433 5 20 IIBD O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 569387934 JJBYBEFXMKZJEP-QGZVFWFLSA-N 435.358 4.188 5 20 IIBD Nc1ncncc1-c1noc(-c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])n1 570703230 ONQWMKIOZHJEOB-UHFFFAOYSA-N 426.845 4.489 5 20 IIBD CCOC(=O)C[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(Br)c1 578187857 NBJWNMSGOCQUEA-SCLBCKFNSA-N 449.301 4.272 5 20 IIBD O=C(NCc1ncn(-c2ccccc2)n1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 583833558 UIHPZDUTPOJGAP-UHFFFAOYSA-N 431.477 4.257 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC(N2CCc3ccccc3C2)CC1 590187394 OXSFKWCCQZWHMR-UHFFFAOYSA-N 433.430 4.277 5 20 IIBD COc1cccc2sc(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])nc12 603732329 NOYBZQBHIIPDGZ-UHFFFAOYSA-N 427.360 4.407 5 20 IIBD Cc1nccn1-c1ccccc1CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 604459402 NORWNZJGDBTPRV-UHFFFAOYSA-N 447.417 4.226 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Nc3ccccc3)nc2)ccc1[N+](=O)[O-] 609110241 UZJZCCFZVMRNPB-OAQYLSRUSA-N 445.479 4.285 5 20 IIBD Cc1ccc(O[C@@H](C)C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)c(Br)c1 609151541 YPAGTYMRGMDPNL-ZDUSSCGKSA-N 445.273 4.257 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 609182517 RXXHMTVMCZCLCG-VBKZILBWSA-N 429.904 4.414 5 20 IIBD COC(=O)c1cc(C(=O)N[C@@H](C)c2sc(-c3ccc(F)cc3)nc2C)cc([N+](=O)[O-])c1 609186454 QNFJLDNJPFTVME-NSHDSACASA-N 443.456 4.443 5 20 IIBD Cc1ccc(-c2csc(NC(=O)[C@H]3CSCN3C(=O)CC(C)(C)C)n2)cc1[N+](=O)[O-] 609297239 XBNBGYPJNWEAME-MRXNPFEDSA-N 448.570 4.303 5 20 IIBD Cn1ccnc1Sc1ncc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)cc1Cl 609860840 XHRSJPKVCLCYAR-UHFFFAOYSA-N 429.889 4.121 5 20 IIBD CS(=O)(=O)c1cccc(OCCOc2ccc([N+](=O)[O-])cc2Cc2ccccc2)c1 609961296 JTCLGSSLLCKDHY-UHFFFAOYSA-N 427.478 4.047 5 20 IIBD O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 609997815 ZZGMKEPCVGADSR-SFHVURJKSA-N 425.460 4.069 5 20 IIBD COc1cc(CN2CCOC[C@H]2c2c(C)nn(-c3ccccc3)c2C)c([N+](=O)[O-])cc1F 613384174 YEZHDABPHPINKW-NRFANRHFSA-N 440.475 4.119 5 20 IIBD COC(=O)C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(OC)cc1 613861798 HFDBXQMVCKFMJI-OAHLLOKOSA-N 441.362 4.048 5 20 IIBD CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)cc1 726518998 OQMIEMXMUBCADM-SYZQJQIISA-N 438.461 4.443 5 20 IIBD CC1=C(C(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)C(=O)OC1(C)C 726910058 AOZHITAEIOBWJT-UHFFFAOYSA-N 444.827 4.058 5 20 IIBD Cc1ccc(NC(=O)c2cccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3C)c2)cc1 727459864 CSWFHGVOCNONML-UHFFFAOYSA-N 426.450 4.232 5 20 IIBD CCc1noc(-c2ccc(CCNC(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)cc2)n1 727720969 BHURVDQFBYPGEE-UHFFFAOYSA-N 449.511 4.170 5 20 IIBD COc1ccc(OC(=O)c2ccc(I)cc2Cl)c([N+](=O)[O-])c1 727983925 GNXGDUFNQUHULC-UHFFFAOYSA-N 433.585 4.081 5 20 IIBD O=C([C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)N(Cc1ccccc1)Cc1ccccc1 729650054 KQXLFRUQLFFTLU-HXUWFJFHSA-N 447.466 4.316 5 20 IIBD Cc1cc(N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 730108393 JCIKYKNYFZOOHV-MRXNPFEDSA-N 441.532 4.490 5 20 IIBD O=C1OC(c2c(Cl)cccc2[N+](=O)[O-])=N/C1=C\c1ccc(OC[C@H]2CCCO2)cc1 730957379 AOOTXYNDAGESEC-QJISPJEISA-N 428.828 4.151 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2C[C@H](N(C)C)Cc3ccccc32)cc1[N+](=O)[O-])c1ccccn1 731465663 KSTLHMXZSBPEKB-FXAWDEMLSA-N 445.523 4.296 5 20 IIBD O=C(Oc1ccc2oc3c(c2c1)CCCC3)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 731960640 MJSZKOBKZGKDQB-MRXNPFEDSA-N 440.477 4.492 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccoc1CN1c2ccccc2C[C@@H]1C 732840437 HTTRNDPUPPSQFP-INIZCTEOSA-N 449.463 4.243 5 20 IIBD CC[C@@H](Nc1ccccc1)C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 733503532 HFWJZDMIRUNSKP-MLGOLLRUSA-N 439.390 4.375 5 20 IIBD CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1I)c1ccc(F)cc1F 737645345 PCSKJTTYCAIQDX-OAHLLOKOSA-N 446.191 4.359 5 20 IIBD C[C@@H]1COCCN1c1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 737724679 IFCJKGTUOGZBLD-GOSISDBHSA-N 427.504 4.019 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 739589005 HUBHPVKXQUSWPW-UHFFFAOYSA-N 426.473 4.246 5 20 IIBD CN(C[C@@H]1CCCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1)C(=O)OC(C)(C)C 740483602 SVVKBVJQAYFENT-IBGZPJMESA-N 448.564 4.206 5 20 IIBD CC(C)(C)Cc1nc(-c2cccc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2)no1 741515408 MZNNCFWNIWVXOU-UHFFFAOYSA-N 449.511 4.196 5 20 IIBD CCS(=O)(=O)C[C@@H](C)NC(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34 742255505 WXWHUOSONYJUDT-MRXNPFEDSA-N 435.545 4.486 5 20 IIBD Cc1nnc(-c2ccc(NS(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])cc2)o1 743259537 CJILNRNLGDJNEQ-UHFFFAOYSA-N 429.241 4.061 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1c(F)cc(Br)cc1F 743262274 SPFJPRPRGRJQGI-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1cccc(S(=O)(=O)Nc2ccccc2F)c1 743468715 MCMVSPHLMMKMJU-UHFFFAOYSA-N 448.403 4.031 5 20 IIBD C[C@H](OC(=O)c1ccccc1NC(=O)c1ccsc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 744616706 NPBWJPVITLJUKI-ZDUSSCGKSA-N 439.449 4.093 5 20 IIBD O=C1/C(=C/c2ccccc2)N=C(SCCn2cc([N+](=O)[O-])cn2)N1c1ccc(F)cc1 746388490 AIFZLYHXMIQVOY-UNOMPAQXSA-N 437.456 4.108 5 20 IIBD O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCCN1Cc1ccc(F)cc1 747822648 MAEBPAUKSPTSSV-FQEVSTJZSA-N 425.416 4.097 5 20 IIBD CC(C)[C@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)N1CCC[C@H](C)C1 747958299 XUYGCKQDQPZASY-KSSFIOAISA-N 431.514 4.158 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)O[C@H](c1ccccc1)c1nc(-c2ccccc2)no1 749051786 AQVPBXDPIRPSKO-OAQYLSRUSA-N 431.404 4.356 5 20 IIBD O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)C1(c2ccc(F)cc2)CCCC1 749359588 SINQPKLPQXYPFB-UHFFFAOYSA-N 427.476 4.401 5 20 IIBD O=C(OCc1nc(O)c2ccc(C(F)(F)F)cc2n1)c1cccc(Cl)c1[N+](=O)[O-] 750535983 SGEMRKPKHQGKHD-UHFFFAOYSA-N 427.722 4.273 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)cc1[N+](=O)[O-] 752191758 QKWUHWUCJOTBCV-NSHDSACASA-N 444.966 4.046 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)c1ccc(-n2cccc2)nc1)c1cccc([N+](=O)[O-])c1 753295927 ZXSXTPCUIPAZLY-HXUWFJFHSA-N 448.479 4.022 5 20 IIBD CC(C)C(=O)Nc1ccc(Oc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])cc1 754025100 PJOMBLPJTZUOCS-UHFFFAOYSA-N 432.376 4.275 5 20 IIBD CC(=O)c1cccc(NC(=O)[C@@H](OC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(C)C)c1 758738745 XZTWZWUAGARZPD-QFIPXVFZSA-N 437.452 4.028 5 20 IIBD Nc1c(F)ccc(Br)c1C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760509647 DWIINRPAVMOTOT-UHFFFAOYSA-N 436.193 4.091 5 20 IIBD Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1Br 760854488 IVVFYLNQSQEOQS-AWEZNQCLSA-N 443.301 4.320 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccc(-c3nc([C@H]4CCCCS4)no3)cc2)c1 762388553 YZMZDBFIKLCQNT-QGZVFWFLSA-N 447.494 4.371 5 20 IIBD CC(=O)Oc1ccc(COC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 762877211 HBSSGXBGUCQFML-HNNXBMFYSA-N 435.436 4.445 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1ccc2c(c1)Cc1ccccc1-2 763740962 FXVCABIGPPQFKN-UHFFFAOYSA-N 449.484 4.290 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCCC1 767112825 XGXSYHZWIBTMPS-OAHLLOKOSA-N 445.438 4.427 5 20 IIBD CC(C)(C)OC(=O)N1Cc2ccc(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])cc2C1 769005718 ADZPMBOZIHZRQP-UHFFFAOYSA-N 445.903 4.471 5 20 IIBD O=C(OCc1cn2cc(Cl)cc(Cl)c2n1)c1cc(Br)ncc1[N+](=O)[O-] 769841449 ZRHBZMHXSVNUJV-UHFFFAOYSA-N 446.044 4.064 5 20 IIBD COc1ccccc1NC(=O)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 769998014 NZZQWBDRBHWJQN-UHFFFAOYSA-N 432.864 4.139 5 20 IIBD COc1cc(N2CCC(OC(=O)c3cnc(OC(C)C)c(Cl)c3)CC2)ccc1[N+](=O)[O-] 770139557 CLLBMBKQBLNCMF-UHFFFAOYSA-N 449.891 4.265 5 20 IIBD CCc1nc2ccccc2n1C1CCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 771626325 KOYHPAFYCCNZKT-UHFFFAOYSA-N 431.500 4.060 5 20 IIBD COc1cc([C@@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1S(=O)(=O)C(F)F 773049435 RQEIOUBRYGPDSS-CHWSQXEVSA-N 428.457 4.320 5 20 IIBD O=C1CCCN1C[C@@H](NCc1cc(F)ccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 774919264 MVNPMATVVFTSMR-QGZVFWFLSA-N 425.382 4.206 5 20 IIBD CC1CCC(N2C[C@H](C(=O)O[C@H](c3cccnc3)c3ccccc3[N+](=O)[O-])CC2=O)CC1 776137472 JFONGFLVLICNEH-IPKMZBQJSA-N 437.496 4.050 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 777896442 AIRGJFABXZLVKK-HAQNSBGRSA-N 448.382 4.165 5 20 IIBD CCN([C@H](C)c1cc2ccccc2o1)S(=O)(=O)c1ccc(NC(=O)OC)c([N+](=O)[O-])c1 777908114 SZQHBLMEIDLGEJ-CYBMUJFWSA-N 447.469 4.291 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)Nc1ccccc1C(F)(F)F 778888540 VVNIRKLXUPVAKC-SECBINFHSA-N 448.300 4.399 5 20 IIBD C[C@]1(C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCCOC1 781287428 RFUGEWUUADJLKW-NQIIRXRSSA-N 432.860 4.288 5 20 IIBD Cc1ccc(C(=O)N2CCC[C@H](COC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)C2)o1 781465342 GWPHMAPBEQPFGA-KRWDZBQOSA-N 444.487 4.292 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 782728268 VOBRPBJDKYEAKV-KRWDZBQOSA-N 441.242 4.389 5 20 IIBD O=C(Nc1cccc(COc2ccccc2)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 783495853 XOAYRVACXCSBMV-UHFFFAOYSA-N 425.828 4.404 5 20 IIBD CCNC(=O)Nc1ccc(C)c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 785994319 WEYCSUHPCOGQAS-UHFFFAOYSA-N 425.489 4.287 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(COc3ccc(S(=O)(=O)C(F)(F)F)cc3)co2)cc1 795269272 DGRXIPHWBMODOY-UHFFFAOYSA-N 428.344 4.122 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)C1(c2cncc(Br)c2)CC1 799521724 PNUPVWVLJCGSJL-UHFFFAOYSA-N 435.274 4.315 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N(Cc1ccc(F)cc1Cl)CC1CC1 804182713 CXSKDWFMKWOQSA-UHFFFAOYSA-N 447.894 4.276 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1c2ccccc2CCN1C(=O)OC(C)(C)C 804314547 RBBORLPCQSONEP-LJQANCHMSA-N 425.485 4.168 5 20 IIBD Cc1c(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 804411006 BDSPTLBHECZJAA-JOCHJYFZSA-N 449.463 4.496 5 20 IIBD Cc1ccc([C@H](C)N(C)C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c(C)c1 810354542 ANVWCADUABLYPO-ZDUSSCGKSA-N 434.290 4.132 5 20 IIBD C[C@H]1CN(Cc2csc(NC(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])n2)C[C@@H](C)O1 812853708 SQEXVTVCPDVZPW-AOOOYVTPSA-N 445.328 4.220 5 20 IIBD COc1ccccc1-c1noc([C@H](C)NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])n1 813029517 DBTQIYRXSOUGCP-VIFPVBQESA-N 437.239 4.451 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CC2(CCC2)[C@H]1c1ccccc1 814399801 ZQMOFIAHZAYUQL-QGZVFWFLSA-N 437.315 4.273 5 20 IIBD COc1cc(C(=O)N2CCC[C@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)ccc1[N+](=O)[O-] 814427126 CPHQNASBGQXHKZ-ROUUACIJSA-N 447.532 4.103 5 20 IIBD C[C@H](OC(=O)Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Cl)ccc2n1Cc1ccccc1 914627420 KJBMBCOFUSKZJQ-AWEZNQCLSA-N 439.859 4.147 5 20 IIBD C[C@H](OC(=O)c1nc(-c2ccccc2)n2c1CCCCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 914916771 XCWSAQISRPZUPF-INIZCTEOSA-N 448.479 4.369 5 20 IIBD Cc1ccc(C(C)(C)C)cc1S(=O)(=O)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 915822414 JVLZAVMQIAYRSA-AWEZNQCLSA-N 436.555 4.186 5 20 IIBD CC(C)C[C@@H](C)n1nccc1NC(=O)c1cc([N+](=O)[O-])ccc1I 917669668 CDPFLYLSAUKCIO-LLVKDONJSA-N 442.257 4.255 5 20 IIBD CCCC(=O)Nc1nc2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)cc2s1 918162089 RFOJVRMILMWQCL-UHFFFAOYSA-N 443.441 4.412 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)Nc1ccccc1-c1ccccc1 919220149 IGYDLNJKJJOXBS-AWEZNQCLSA-N 435.392 4.354 5 20 IIBD C[C@H](Nc1ccc(C(=O)OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-])c1ccccn1 920546608 LKTXRLUDEZQUIC-ULQDDVLXSA-N 440.500 4.109 5 20 IIBD COc1ccc(NC(=O)N(C)CCCc2cc(-c3ccc(F)cc3)no2)c([N+](=O)[O-])c1 1123368467 GLCBVWCYABDDIQ-UHFFFAOYSA-N 428.420 4.494 5 20 IIBD O=C(N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)N1Cc2ccc([N+](=O)[O-])cc2C1 1318839848 UIEKECSKFORBGM-GOSISDBHSA-N 432.883 4.077 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(-c2ccc(Br)cc2-n2cncn2)n1 1323850911 YVEPTDDMOIWDRO-UHFFFAOYSA-N 441.245 4.272 5 20 IIBD Cc1ncccc1C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])o3)cc2)CCC1 1786206373 LSMGCTKJFROSMK-PKNBQFBNSA-N 446.463 4.352 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@@H]3CCc4ccoc4C3)cc2)CCC1)c1ccc([N+](=O)[O-])o1 1786213441 JHAZXWGYMGKUOR-MRXNPFEDSA-N 449.463 4.334 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])[nH]n1)[C@@H]1CC=CCC1 1814796880 XVMCMFWHJKKCBC-OHAWZUIQSA-N 449.511 4.380 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 1824350361 ZZXXFQXBRHHNLC-JTSKRJEESA-N 447.551 4.332 5 20 IIBD CC(C)/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cc([N+](=O)[O-])ccc2F)CC1 1824947813 KALUQEUFPZSBFG-MECCDNJOSA-N 445.535 4.108 5 20 IIBD CC/C=C(\C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])CC2 1827458268 AXWNJBURISZRLY-ZRHCSQIJSA-N 440.525 4.033 5 20 IIBD CC1(C)CC(C(=O)N2CC3(CCCN3C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C2)C1 1845739695 APFPPUGBPRBQLY-UHFFFAOYSA-N 427.526 4.063 5 20 IIBD Cc1ccc(C(=O)c2ccccc2C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 10862764 VFNINZUKUJYDRP-MRXNPFEDSA-N 432.432 4.318 5 20 IIBD COc1ccc([C@@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)N2CCCCC2)cc1 18020388 IKEJIHUKACFLOI-HSZRJFAPSA-N 438.528 4.135 5 20 IIBD CCc1ccccc1NC(=O)[C@H](C)OC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 21753010 LPIQSVHSLSMPGE-LBPRGKRZSA-N 439.390 4.158 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OCC(C)C 21763748 FCVAXDUYSJPXNP-OAHLLOKOSA-N 430.457 4.131 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CSc1nnc(CN2CCCC2)n1Cc1ccccc1 24227486 XHPIUQWJUDKESW-UHFFFAOYSA-N 439.541 4.131 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 26117345 QZKNNAFMUSNDGS-SNVBAGLBSA-N 441.318 4.014 5 20 IIBD Cc1ccc(-c2nc(CC(=O)O[C@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cs2)cc1 26205776 GKDOTHXFJOPPNJ-CYBMUJFWSA-N 443.456 4.279 5 20 IIBD CCOc1ccc(NC(=O)CSc2nnc(C3CC3)n2-c2ccccc2)c([N+](=O)[O-])c1 28827464 XWSYGQDRJILBBQ-UHFFFAOYSA-N 439.497 4.182 5 20 IIBD CC(=O)c1ccc(Sc2nnc([C@H](C)N(C)C)n2-c2ccc(F)cc2)c([N+](=O)[O-])c1 29001419 OGPQOVLOBJEMRM-LBPRGKRZSA-N 429.477 4.291 5 20 IIBD CCn1c(SCC(=O)c2ccc3c(c2)CCC(=O)N3)nc2cc3ccccc3cc2c1=O 60721511 YQHRMLYFPSRAJZ-UHFFFAOYSA-N 443.528 4.429 5 20 IIBD Cc1c(CS(=O)(=O)CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-] 61796404 ZZPGLSIIAWVIFT-GFCCVEGCSA-N 445.324 4.002 5 20 IIBD CCc1ccccc1N(C(C)=O)c1nc(Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)cs1 71857939 MQYQUXFDEVWWLG-UHFFFAOYSA-N 449.492 4.057 5 20 IIBD COc1ccc(-c2nc(NC(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc34)sc2C)cc1 78777342 UOCHCTJVTAAAMT-UHFFFAOYSA-N 436.449 4.129 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N2CCC(c3c[nH]c4ccccc34)CC2)c([N+](=O)[O-])c1 109305507 ORNOKIDOLGYMGD-UHFFFAOYSA-N 429.480 4.425 5 20 IIBD CCN1CCC(n2nccc2NCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 236834056 UFUHCBMYALFUJD-UHFFFAOYSA-N 425.489 4.329 5 20 IIBD O=[N+]([O-])c1cc(CN[C@H]2CCN(c3ncccc3F)C2)ccc1Oc1ccc(F)cc1 237884638 CEOURNUBGOQSJK-KRWDZBQOSA-N 426.423 4.429 5 20 IIBD O=C(Nc1cccc(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1)[C@@H]1CCCO1 237902883 QPGSVXWZUJTGKO-FQEVSTJZSA-N 438.509 4.126 5 20 IIBD O=[N+]([O-])c1cnc(NCc2ccc(N3CCc4ccccc4C3)nc2)c(Br)c1 301558056 SWGWGMXFGYFSIV-UHFFFAOYSA-N 440.301 4.322 5 20 IIBD Cc1cc(N2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 301810354 ZDNHXUNBDSPXNV-NVXWUHKLSA-N 427.505 4.242 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)s1 302217177 PRPVHXUYOLRYHF-ZDUSSCGKSA-N 449.579 4.401 5 20 IIBD Cc1ccccc1-c1csc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)n1 303478693 OFMYMPAKKWDUFQ-HNNXBMFYSA-N 442.522 4.332 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)c1ccccc1[N+](=O)[O-] 303930647 VJGXDMMQYNABGP-RYRKJORJSA-N 432.423 4.176 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)c([N+](=O)[O-])cc1OC 410421568 JWZAUSAJZQAWSU-UHFFFAOYSA-N 432.326 4.335 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C/C(C)=C\c1ccccc1 427545205 VLNTZOLLCQCTEX-SSZFMOIBSA-N 428.510 4.426 5 20 IIBD O=[N+]([O-])c1cccc(Br)c1OCc1nc(-c2cc(F)c(F)c(F)c2)no1 431238741 UMRMYRLQKGBHIX-UHFFFAOYSA-N 430.136 4.404 5 20 IIBD Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 431457179 HTTMFEOIWSNJSK-UHFFFAOYSA-N 432.274 4.154 5 20 IIBD Cc1cc(S(=O)(=O)Nc2nnc([C@@H]3CCCc4ccccc43)s2)ccc1[N+](=O)[O-] 432530663 KMSNGWSTLUHCLH-MRXNPFEDSA-N 430.511 4.024 5 20 IIBD Cc1ccc(-c2ccc(C)c(NC(=O)N3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)c2)o1 432986729 AZDLEIBASIOEAJ-UHFFFAOYSA-N 448.479 4.462 5 20 IIBD COc1cccc(C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)c1[N+](=O)[O-] 436028824 VXHHGYCYHQZGPH-UHFFFAOYSA-N 438.311 4.305 5 20 IIBD O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 437041948 XPQJCGSRILSNEK-UHFFFAOYSA-N 441.793 4.397 5 20 IIBD O=C(Nc1ccnn1-c1ccc(Cl)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 437081735 ACWRLHAOXGUCCZ-UHFFFAOYSA-N 425.876 4.289 5 20 IIBD O=C(Nc1nnc(Cc2ccccc2F)s1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437353145 BVEPNGNZDFPZTG-UHFFFAOYSA-N 426.351 4.447 5 20 IIBD O=C(Nc1ccccc1I)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437542160 DBOPDVGBESEYHR-UHFFFAOYSA-N 437.237 4.396 5 20 IIBD Cc1nnc(-c2ccccc2NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])o1 438791875 CKFFHZWRVGXFNE-UHFFFAOYSA-N 429.241 4.061 5 20 IIBD Cc1sc(CNS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)nc1C(C)C 439228723 XKXSTDMSXOAJHJ-UHFFFAOYSA-N 448.364 4.033 5 20 IIBD Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 439375756 JINMZJLNGJDIRS-UHFFFAOYSA-N 433.917 4.427 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](CC(=O)OC)c1ccc(SC)cc1 439883961 QYBFLJVCTNBEQV-INIZCTEOSA-N 433.486 4.141 5 20 IIBD Cc1ccc(CNC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c(OC(C)(C)C)c1 440654932 NLDGWWCOLCWGBF-UHFFFAOYSA-N 441.484 4.085 5 20 IIBD COCc1nc(CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c(-c2ccccc2)s1 441054087 WZLQAVBOHPWEIW-UHFFFAOYSA-N 426.498 4.206 5 20 IIBD O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3O 443001886 QNJNKRACYNOQCP-LRKRIBCQSA-N 430.913 4.241 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl 443969854 SNEVREZODKWOBS-LBPRGKRZSA-N 428.272 4.080 5 20 IIBD COc1ccc(NC(C)=O)c(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 447390357 GFKUMGHCESNJJM-UHFFFAOYSA-N 435.436 4.393 5 20 IIBD CN(C)[C@H]1CCOc2c(NC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)cccc21 447719980 AIWCNKUFHKVBML-FQEVSTJZSA-N 431.467 4.458 5 20 IIBD Cc1ccccc1[C@@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@@H](C)CO1 460409706 XJDOKSSAGCWNHS-DFBJGRDBSA-N 426.516 4.452 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@@H]3[C@@H]3CCCO3)n2CCc2ccccc2)c1 460411929 KKWONJHQUZLQQL-YADHBBJMSA-N 433.512 4.244 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@](CO)(Cc2ccccc2)C1 462894757 JIQKCPZVVAYUEE-OAQYLSRUSA-N 447.329 4.123 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 466147950 RMHTURWPVXFGIO-UHFFFAOYSA-N 436.443 4.028 5 20 IIBD CCCOc1cc(NC(=O)NCc2ccn3ccnc3c2)c([N+](=O)[O-])cc1OCCC 474709617 HSWGWOJACIUJSW-UHFFFAOYSA-N 427.461 4.142 5 20 IIBD CC[C@@H](C)n1c(SCC(=O)Nc2ccc([N+](=O)[O-])c(C)n2)nnc1-c1ccccc1 475317383 CRDGVCCXZWOUJJ-CYBMUJFWSA-N 426.502 4.259 5 20 IIBD O=C(CNc1cc([N+](=O)[O-])ccc1OC(F)F)NCc1ccc(F)cc1C(F)(F)F 476353462 IIPDGHIKODYYLT-UHFFFAOYSA-N 437.296 4.082 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCC[C@@H]2Cc2ccccc2)cc1OC 476725787 FDECHZONZTWWGM-UYAOXDASSA-N 442.512 4.160 5 20 IIBD Cc1[nH]nc(C(=O)N[C@H](C)c2nc(-c3ccc(Br)cc3)cs2)c1[N+](=O)[O-] 478746240 MTJJURYPOBNTDY-SECBINFHSA-N 436.291 4.003 5 20 IIBD CN(CCc1nc(-c2ccccc2)no1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 480298432 XIFFNZRQHQMMJR-UHFFFAOYSA-N 435.362 4.370 5 20 IIBD O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 484223078 SEKCYFYAWRTOBH-UHFFFAOYSA-N 436.443 4.140 5 20 IIBD Cc1ccc(-c2cccnc2)cc1NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 484320198 FLMVCSHZSOVOBF-UHFFFAOYSA-N 430.464 4.095 5 20 IIBD COC(=O)c1c(F)ccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c1F 485161476 OXZJAKYYNZWMFC-STQMWFEESA-N 447.438 4.394 5 20 IIBD C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCC[C@@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] 485827672 WOBKHIFNNIPDLV-QMMLZNLJSA-N 435.524 4.337 5 20 IIBD CSc1cccc(C(=O)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)c1[N+](=O)[O-] 486225209 BWINUZIBNCAADM-GFCCVEGCSA-N 441.431 4.224 5 20 IIBD COCCOc1ccc(Cl)cc1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 486706169 JOZMHHLTRCRGLP-UHFFFAOYSA-N 432.782 4.222 5 20 IIBD CCCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 486746978 SNZVXGICCBFILK-UHFFFAOYSA-N 441.410 4.468 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccccc3F)cs2)cc1OC 490261461 YXPPNHXWEQJNTP-UHFFFAOYSA-N 447.444 4.144 5 20 IIBD O=C(Nc1cccc(-c2noc(C(F)(F)F)n2)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 490263065 ULDGYFHLFBXODE-UHFFFAOYSA-N 444.329 4.102 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2cccc(OCC(F)F)n2)cc1[N+](=O)[O-])c1ccccn1 490330830 OHKSVAFCDYPLOU-ZDUSSCGKSA-N 443.410 4.454 5 20 IIBD Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 497523047 YLWQMAQGPJEUTC-INIZCTEOSA-N 449.298 4.405 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 500000965 AECXGVWVXPOLCO-UHFFFAOYSA-N 442.863 4.426 5 20 IIBD O=[N+]([O-])c1ccc(CCS(=O)(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)cc1 503444735 AWRPCKOXYOGGFB-QFIPXVFZSA-N 449.532 4.370 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCc1ccc(Oc2ccc(F)cc2)cc1 504365295 SQPDNRMZAXUCQX-UHFFFAOYSA-N 437.427 4.132 5 20 IIBD COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2c(F)cccc2[N+](=O)[O-])cc1 505583020 XYAFMGCBUVTFAL-UHFFFAOYSA-N 430.457 4.134 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(N2CCCC2)c1 505667225 YLJZQJMDRHJVDR-UHFFFAOYSA-N 437.422 4.447 5 20 IIBD CN1CCC(CN(C)C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 505756900 OIZIAKJIMDBYMQ-UHFFFAOYSA-N 430.936 4.274 5 20 IIBD Cc1ccc(Sc2ccc(CNCc3nnnn3-c3ccccc3)cc2[N+](=O)[O-])cc1 507946846 VBNVQXOMXHPTCE-UHFFFAOYSA-N 432.509 4.320 5 20 IIBD O=C(Nc1cccc(NC(=O)c2cc([N+](=O)[O-])cnc2O)c1)c1cccc(C(F)(F)F)c1 508505455 PCKVDVGGSHJANR-UHFFFAOYSA-N 446.341 4.219 5 20 IIBD COc1cc(C(=O)N[C@H](C)c2ccc(C)cc2)c([N+](=O)[O-])cc1OCc1cscn1 509932213 SSEBVPJABJKUKT-CQSZACIVSA-N 427.482 4.438 5 20 IIBD O=C(NCc1nn(-c2ccccc2)c2c1CCC2)Nc1cc([N+](=O)[O-])ccc1OC(F)F 510869092 NVTVGIHFKCHVKQ-UHFFFAOYSA-N 443.410 4.192 5 20 IIBD CC(C)N(Cc1ncc(-c2ccc3c(c2)OCO3)[nH]1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 510950437 WYQNSPXEWHAQRN-UHFFFAOYSA-N 447.451 4.246 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1nc(-c2cccc(Cl)c2)no1 513211853 CJVUIPGSPDMHLO-GFCCVEGCSA-N 432.889 4.138 5 20 IIBD O=C(NCc1cc(Oc2ccc(F)cc2)ccn1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 514204073 OJTDDDUOSBNWEC-UHFFFAOYSA-N 433.342 4.453 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1sccc1Br)c1ccccc1[N+](=O)[O-] 514562578 RQIJVEDJBIONJI-ZDUSSCGKSA-N 441.303 4.232 5 20 IIBD Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnn1-c1cccc([N+](=O)[O-])c1 514904038 WXQWRJJDRRFQOU-UHFFFAOYSA-N 425.754 4.408 5 20 IIBD COCCN(Cc1cccs1)C(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 515529305 YKJZQIJPVFFUOP-CALCHBBNSA-N 431.558 4.427 5 20 IIBD O=C(Nc1cccc2cc(Br)cnc12)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 517192324 SVUNOMSYGFJTEC-UHFFFAOYSA-N 438.241 4.344 5 20 IIBD CS(=O)(=O)c1ccc(NC[C@H]2CCCCN2Cc2cccc(Cl)c2)c([N+](=O)[O-])c1 517601973 NTVIMEPPYYNZFQ-QGZVFWFLSA-N 437.949 4.118 5 20 IIBD COc1cc(C(=O)N(CCCn2ccnc2)Cc2c(F)cccc2Cl)ccc1[N+](=O)[O-] 517685571 SQDDSAHLDSKIBX-UHFFFAOYSA-N 446.866 4.325 5 20 IIBD O=C(COc1ccc(-c2ccccc2)cc1[N+](=O)[O-])Nc1ccc(CN2CCOCC2)cc1 519011220 WQJYTRTYSVICAG-UHFFFAOYSA-N 447.491 4.112 5 20 IIBD O=C(NC[C@@H](c1cccc(F)c1)N1CCOCC1)c1cc2ccccc2c2cccnc12 519097686 KCIFVVZXMLNXRM-DEOSSOPVSA-N 429.495 4.330 5 20 IIBD COc1cc([C@H]2Nc3ccc(Cl)cc3C(=O)N2C)c([N+](=O)[O-])cc1OCC(F)(F)F 520851265 DLVUIYIAQILFCJ-INIZCTEOSA-N 445.781 4.394 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)cc2)cc1 521352585 ZDTOSPMWEMNSDO-UHFFFAOYSA-N 433.468 4.445 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@@H](c2ccc(Br)cc2)C1 522746406 XQXPKJTZPABXMN-QGZVFWFLSA-N 439.693 4.153 5 20 IIBD CC(C)c1ccc(CCCNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 524205584 CYXSHBWNCFUICJ-UHFFFAOYSA-N 435.427 4.007 5 20 IIBD O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1sccc1C1CC1 524330204 DHPYFXHVUIKVGI-UHFFFAOYSA-N 435.508 4.075 5 20 IIBD CC[C@@H](C)[C@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1 525076637 KYBBGMPJGGOXTD-BLVKFPJESA-N 435.933 4.343 5 20 IIBD CCc1ccc([C@@H](COC)NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 525565780 AECRVSMNJNYONV-CYBMUJFWSA-N 432.420 4.365 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1 530441182 OOEQAQLHMDHBME-HXUWFJFHSA-N 444.488 4.181 5 20 IIBD CN([C@H]1CCCc2ccccc21)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 532620285 DHWBPGTYFNGINM-INIZCTEOSA-N 425.304 4.055 5 20 IIBD COc1ccc(C2=NN(C(=O)COc3cccc(C)c3[N+](=O)[O-])[C@@H](c3ccco3)C2)cc1 534387407 OVLWNCBDWZBCAE-LJQANCHMSA-N 435.436 4.262 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)C(=O)CCC2 536465885 ACMUFOODAAAMEQ-UHFFFAOYSA-N 428.466 4.021 5 20 IIBD O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCO[C@@H](c2ccc(Br)cc2)C1 536480601 JDGBUICTHKKIGX-QGZVFWFLSA-N 430.258 4.052 5 20 IIBD C[C@@H]1C[C@@H](N(C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 538733121 RXOZLZZGSFYJDY-DVECYGJZSA-N 433.556 4.480 5 20 IIBD Cc1cc(C[C@H](C)NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)n(-c2ccccc2)n1 539526252 WCYCPZUUHXKMOP-KRWDZBQOSA-N 430.512 4.210 5 20 IIBD Cn1cc(CN[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 539600074 SUBDKCHRHIZHMR-INIZCTEOSA-N 429.883 4.156 5 20 IIBD C[C@@H](C(=O)N1[C@H]2CC[C@H]1CC(N(C)C(=O)c1ccccc1)C2)c1ccc([N+](=O)[O-])cc1F 542528142 QRHYGLLMBWLALB-NJAFHUGGSA-N 439.487 4.132 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(-c3cccc(S(=O)(=O)N4CCc5ccccc54)c3)n2)cc1 544933243 IBMSHCYESNVVLU-UHFFFAOYSA-N 448.460 4.063 5 20 IIBD O=C(NCCCc1nc(-c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)no1)c1cccnc1 545076983 MFCOYWIQNBEJQR-UHFFFAOYSA-N 445.435 4.195 5 20 IIBD COc1cc(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)cc(OC)c1Br 545671361 YLYASIZZWRLPNG-UHFFFAOYSA-N 449.261 4.079 5 20 IIBD C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](c1ccc(Cl)cc1)c1ccn(C)n1 546575391 PXQWHSZADKFMKD-SPLOXXLWSA-N 427.892 4.078 5 20 IIBD C[C@@H](Nc1ccc(-c2nc(CC(=O)OC(C)(C)C)no2)cc1[N+](=O)[O-])c1ccccn1 547305735 PBMQALVRUDFYEH-CYBMUJFWSA-N 425.445 4.097 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)c1ccc(F)c(F)c1 548870865 ZKZGUAKXITUZTP-UHFFFAOYSA-N 432.164 4.063 5 20 IIBD Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)nnn1Cc1ccccc1F 549123572 HECNXXCOEPOLFQ-UHFFFAOYSA-N 429.477 4.435 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC(C)(C)c1nc2ccccc2n1C 551314102 JMRGKMRPCYPULW-UHFFFAOYSA-N 431.290 4.218 5 20 IIBD COc1cccc(OC)c1Oc1ccc(CNc2ccc([N+](=O)[O-])c(C(=O)O)c2)cn1 555415937 GENYQBWOHZAQKX-UHFFFAOYSA-N 425.397 4.110 5 20 IIBD CC(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 559090171 BTXOSWTUDULNHS-UHFFFAOYSA-N 446.515 4.096 5 20 IIBD CC[C@@H](C)Oc1ccc(NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1 560224178 GHVZVRNCGFDZTD-LLVKDONJSA-N 436.262 4.112 5 20 IIBD CSc1ccc([C@@H](CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 566335428 XTVZVMWUMFQFRK-OAQYLSRUSA-N 425.558 4.110 5 20 IIBD CNC(=O)Nc1cc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)ccc1F 566577160 ARCAZIJMVHYFTE-ZIAGYGMSSA-N 443.479 4.220 5 20 IIBD CSc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)N(C)C)cc1 576353255 BNCKNQCSMXTDFO-OAQYLSRUSA-N 428.558 4.268 5 20 IIBD CC(C)(C)[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 579180497 RXTOZNNGXZFWEO-QGZVFWFLSA-N 437.418 4.326 5 20 IIBD Cc1nn(CCC(=O)N2CCCC[C@@H]2Cc2ccccc2Br)c(C)c1[N+](=O)[O-] 583586913 OFVDCLALBZTXHB-QGZVFWFLSA-N 449.349 4.185 5 20 IIBD CCOc1ccc([C@H](C)NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1OC 603686785 ASWUHOGBEGHOFP-LBPRGKRZSA-N 442.390 4.434 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cccnc2Oc2cccc(C)c2C)c([N+](=O)[O-])c1 603985605 YJGKSNLSMPLVMC-UHFFFAOYSA-N 429.454 4.208 5 20 IIBD CN(C(=O)c1cccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1)c1ccccc1 603990841 HRKHYHHGGWFTGA-UHFFFAOYSA-N 441.447 4.309 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] 608802585 YILHACABITVPHD-IFXJQAMLSA-N 449.429 4.404 5 20 IIBD O=C(c1ccc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1)N1CCOCC1 608836546 RBNFOLPQBRWXJZ-UHFFFAOYSA-N 437.521 4.086 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)c(F)c1 608928523 SREZKRXHUFUADD-UHFFFAOYSA-N 445.259 4.086 5 20 IIBD Cc1sc(NC(=O)Cc2csc(-c3cnccn3)n2)nc1-c1cccc([N+](=O)[O-])c1 608939810 OIXAAPWDOYELGB-UHFFFAOYSA-N 438.494 4.121 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NC3CCN(C(=O)c4ccco4)CC3)c([N+](=O)[O-])c2)cc1 608972488 OVVIPWNPPBTHSV-UHFFFAOYSA-N 448.479 4.465 5 20 IIBD CC(C)Oc1ccccc1[C@H](C)NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 609134192 YXCDATLIEJEUEP-LBPRGKRZSA-N 443.319 4.184 5 20 IIBD CC1(N(Cc2ccc3c(c2)OCO3)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCCC1 609151780 HLASOAIRQXKSEJ-UHFFFAOYSA-N 448.479 4.484 5 20 IIBD CN1CCC(N2CC[C@@H](NCc3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)C2)CC1 609571517 LXGVVOIAXNXOMQ-LJQANCHMSA-N 444.963 4.299 5 20 IIBD C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 609909290 AFJAIJHYOUMMAP-CZUORRHYSA-N 441.488 4.032 5 20 IIBD COc1ccc(N(Cc2ccco2)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1F 610058744 PNTANWAYCJXJIJ-UHFFFAOYSA-N 440.836 4.384 5 20 IIBD C[C@H](C(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1)c1ccco1 610172001 LEORYXSCKIZSRU-INIZCTEOSA-N 425.510 4.364 5 20 IIBD Cc1ccc(OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c(I)c1 610411662 UJFUGANDIDMWDJ-UHFFFAOYSA-N 437.193 4.137 5 20 IIBD Cn1ccnc1[C@H](N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1cccc([N+](=O)[O-])c1 611560914 FNBMLCABGWDDOQ-FXAWDEMLSA-N 445.445 4.305 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 612131511 DOTDLEZILFUSFG-JKFKMHIGSA-N 432.524 4.036 5 20 IIBD C[C@](CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)(C(=O)O)c1ccccc1 619644371 SBAPIEMGBNTDIB-JOCHJYFZSA-N 428.510 4.402 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(NCc3cccc(C(=O)OCc4ccccc4)c3)cc2N1 727435439 QVXCIWWVMQVBNE-UHFFFAOYSA-N 431.448 4.449 5 20 IIBD COc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)Cc3ccccc32)ccc1[N+](=O)[O-] 728002452 DMNHQOYIGQYYPE-UHFFFAOYSA-N 427.457 4.001 5 20 IIBD O=C(OCc1coc(-c2ccc(F)c(F)c2)n1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 728620113 BBVJYYWCUVCFJK-UHFFFAOYSA-N 426.335 4.071 5 20 IIBD Cc1cc(OCC(=O)OC[C@@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])ccc1C(C)C 730703764 ORAZYAWNOVDTTQ-SFHVURJKSA-N 440.496 4.253 5 20 IIBD C[C@@H]1CCCN(S(=O)(=O)c2ccc(CNc3nc4ccc([N+](=O)[O-])cc4s3)cc2)C1 731206683 NVTRVOXPFASZAW-CQSZACIVSA-N 446.554 4.237 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 735803225 XSLDHBCMQRZUTB-UHFFFAOYSA-N 439.811 4.198 5 20 IIBD CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCC(C(=O)c2ccc(OC)cc2)CC1 735917852 UTHAYVADYNIGLG-UHFFFAOYSA-N 430.432 4.019 5 20 IIBD COc1cc(C(=O)OC2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)ccc1OC(C)C 739379017 BXLNAXNFGLGJEN-UHFFFAOYSA-N 444.484 4.225 5 20 IIBD CCCC[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)Nc1cc(C)on1 740422435 KIPVIQREZSTUDX-CQSZACIVSA-N 440.250 4.008 5 20 IIBD CSc1ccc(O[C@@H](C)C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 740996235 RBJKXVPUPUYGOO-NEPJUHHUSA-N 438.889 4.308 5 20 IIBD Cc1cc(C)c(OC(=O)c2ccc(S(=O)(=O)Cc3ccccc3)cc2)c([N+](=O)[O-])c1 741175955 LBXDTYAIXQBRLM-UHFFFAOYSA-N 425.462 4.405 5 20 IIBD C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 741999274 OEAPXKLYIHZCDH-TUJADDFYSA-N 444.329 4.276 5 20 IIBD COc1cc(COC(=O)c2cc(Br)cs2)c([N+](=O)[O-])cc1OC(F)F 743041330 ASGZLNXJVFWQDG-UHFFFAOYSA-N 438.202 4.386 5 20 IIBD C[C@H](OC(=O)c1cc(F)ccc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 743197007 DSSIYJXRXRZCRQ-ZDUSSCGKSA-N 444.415 4.350 5 20 IIBD COc1ccc([C@H]2CCCCCN2C(=O)COC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 743197387 NNFSXEUALPAZJJ-LJQANCHMSA-N 430.432 4.043 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccccc1C(=O)NCCc1ccccc1 743607430 KPOIIUDRMCYOPG-UHFFFAOYSA-N 442.475 4.161 5 20 IIBD CC(C)(C)OC(=O)N1CCC(COC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 744078034 PCTDQULDPQCVLF-UHFFFAOYSA-N 432.395 4.418 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)Cc2ccn(C(C)C)n2)c2ccccc2)c([N+](=O)[O-])c1 745323365 IZPMUGYOUWSGKT-JOCHJYFZSA-N 436.468 4.146 5 20 IIBD Cc1ccc([C@@H](C)C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)o1 745663677 IUCHXMZGQBVQMV-OLZOCXBDSA-N 429.454 4.294 5 20 IIBD Cc1ccc(N2CCC[C@H](NC(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)C2)cc1 745885988 LYGIXZLOHWWAMH-IBGZPJMESA-N 438.528 4.125 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)cc2)cc1[N+](=O)[O-] 747391695 UTLAYJAFTXLEAT-IYBDPMFKSA-N 445.541 4.089 5 20 IIBD C[C@@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)N1CCCc2ccccc21 747958873 ZGNXPLYSGAXJNC-CQSZACIVSA-N 437.477 4.243 5 20 IIBD CC(=O)N(c1ccccc1)c1nc(COC(=O)Cc2cccc([N+](=O)[O-])c2C)cs1 748474414 OKDOKOVCHCXMDV-UHFFFAOYSA-N 425.466 4.330 5 20 IIBD COc1ccc([C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c(OC)c1 748612765 CXJBWBWCQPPTEH-QGZVFWFLSA-N 429.429 4.114 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1ccc(N2CCc3sccc3C2)cc1 748649508 FTAYZAQUUMMYNA-UHFFFAOYSA-N 427.457 4.376 5 20 IIBD O=C(OCc1ccnc(-c2ccc(Br)cc2)n1)c1ccc([N+](=O)[O-])c(F)c1 750033222 VLPDOIXOKBGKCA-UHFFFAOYSA-N 432.205 4.310 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1SCc1cccc(F)c1F 750299975 VLOWBWMIOSTRDZ-UHFFFAOYSA-N 428.482 4.340 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)c1c(F)ccc([N+](=O)[O-])c1F)c1ccc2ccccc2c1 752557599 BXUAVFLVBWUPMY-QWHCGFSZSA-N 428.391 4.449 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N[C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)cc1[N+](=O)[O-] 752949005 CLIUCQAMXZDXQB-HOTGVXAUSA-N 444.507 4.125 5 20 IIBD CC(C)(C)OC(=O)N1CCc2c(NC(=O)COc3ccc([N+](=O)[O-])c(F)c3)cccc21 753779478 HGXBELWKVUXELU-UHFFFAOYSA-N 431.420 4.049 5 20 IIBD CCN(C(=O)COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1nc2ccccc2s1 754981286 BODXLQHDGJCBHL-UHFFFAOYSA-N 437.836 4.207 5 20 IIBD C[C@H](OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)Nc1ccccc1C(F)(F)F 758735716 DHGCFJCRZSPVCJ-NSHDSACASA-N 435.358 4.208 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H](c1ccccc1)N1CCSCC1 760520235 CAUKBWINCWAPFC-HXUWFJFHSA-N 439.493 4.083 5 20 IIBD CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] 760593423 UVEMNLSWYGAJQH-UHFFFAOYSA-N 429.448 4.319 5 20 IIBD COc1ccccc1[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccccn1 760682225 OYJVQLYDLPGUDO-LJQANCHMSA-N 442.269 4.280 5 20 IIBD O=C(Cc1cccc(F)c1)NCc1nc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)no1 761859060 SKFRRHRJOQIYIQ-UHFFFAOYSA-N 448.410 4.435 5 20 IIBD COc1cc(Cc2noc([C@H]3CC(=O)N(c4c(C)cc(C)cc4C)C3)n2)ccc1[N+](=O)[O-] 762309833 VNORMCFLYHLYPW-KRWDZBQOSA-N 436.468 4.023 5 20 IIBD O=C(Nc1cccc(OC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1)c1ccccc1 764197164 GNKIKEPPGJPSCZ-UHFFFAOYSA-N 428.404 4.252 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 765821281 RKXUJMLJAQTWBH-OAQYLSRUSA-N 425.872 4.382 5 20 IIBD CC(C)(C)OC(=O)N(CC1CC1)C1CCN(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 769730784 NCUNWBJGNJGQTJ-UHFFFAOYSA-N 429.521 4.083 5 20 IIBD COc1ccccc1[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccco1 769755791 HQTNHWAGWCIDOA-GOSISDBHSA-N 431.242 4.478 5 20 IIBD Cc1ccc2nc([C@@H]3CCCN3S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3C)[nH]c2c1 769896205 XJIBELPBBLUXQW-INIZCTEOSA-N 434.905 4.267 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 769943291 NVPKZOAPLUSRJT-UHFFFAOYSA-N 448.564 4.201 5 20 IIBD COc1ccccc1-c1nn(C)cc1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 770323928 IAPFGYMHPMPSPQ-UHFFFAOYSA-N 431.246 4.019 5 20 IIBD O=C(Cc1cccc(OCC(F)(F)F)c1)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 770557614 IUCROGWKKAGBGM-UHFFFAOYSA-N 436.342 4.477 5 20 IIBD C[C@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@H](O)c1c(Cl)cccc1Cl 771715681 JMSQWJXPNMDNAR-WLRWDXFRSA-N 449.294 4.154 5 20 IIBD CC(C)(C)OC(=O)N1Cc2ccc(CN[C@@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)cc2C1 774368506 PBPXJPZZWLTDPX-UXHICEINSA-N 441.532 4.316 5 20 IIBD CC(C)c1nnc(CCC(=O)O[C@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])o1 774374681 NBEHSBUPMBLQQX-MRXNPFEDSA-N 440.294 4.228 5 20 IIBD C[C@H](OC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(F)(F)F 778168533 AZILLJVJHPMPIN-JTQLQIEISA-N 432.301 4.276 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)cc2F)C[C@@H](C)O1 778605115 VUIXCMZGLBZSIW-TXEJJXNPSA-N 439.390 4.201 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1ccc2c(c1)CCC(=O)N2C 780281957 AABAPDIPPKZQLV-UHFFFAOYSA-N 442.493 4.046 5 20 IIBD CC1=C(C(=O)N(C)C)[C@@H](c2ccc([N+](=O)[O-])s2)NC(=O)N1c1ccc(F)c(Cl)c1 782248035 LODSGXZCMDYYRZ-MRXNPFEDSA-N 438.868 4.082 5 20 IIBD O=C(OCc1nccn1CC(F)(F)F)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 786396133 OLSZQKSBTOZOAX-UHFFFAOYSA-N 435.358 4.290 5 20 IIBD CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 792087558 WTGKBUKHSXKJPN-MGPUTAFESA-N 437.449 4.020 5 20 IIBD C[C@@H](O)[C@](C)(CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)Cc1ccccc1 792345375 PSPBRLOJRCKDKA-YJYMSZOUSA-N 436.306 4.109 5 20 IIBD CC(=O)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 792471653 AQJXMLDCIRUCCB-LBPRGKRZSA-N 449.257 4.052 5 20 IIBD COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 793066604 RDRXBTLRDZYBLE-LJQANCHMSA-N 447.919 4.330 5 20 IIBD CCOC(=O)/C(=C/c1cnn(Cc2ccc(C(F)(F)F)cc2)c1)c1ccc([N+](=O)[O-])cn1 794951842 ZYSUNQLQGLNAOB-GIJQJNRQSA-N 446.385 4.357 5 20 IIBD COc1ccc(N(CCC(C)C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 797354050 QXZKVGYXLXDAKG-UHFFFAOYSA-N 427.501 4.133 5 20 IIBD CCOc1cc(/C=C/C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)ccc1O 803546581 JNGDBTINAOWKKX-XBXARRHUSA-N 447.285 4.060 5 20 IIBD COc1ccc(-c2ocnc2C(=O)OCc2ccc([N+](=O)[O-])cc2Br)cc1 808435509 NNAHIPPBLUDVAT-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD O=C(Nc1ccc(CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1)c1ccncc1 812957364 RWPBTCNUSFFSFK-UHFFFAOYSA-N 445.262 4.479 5 20 IIBD O=C(Nc1ccc2nc(N3CCOCC3)oc2c1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813071640 XUBDPNUONRCNSL-UHFFFAOYSA-N 437.239 4.132 5 20 IIBD C[C@H](OC(=O)c1cc(Cl)ccc1Br)C(=O)Nc1cccc([N+](=O)[O-])c1 913344163 LFVRVBQMARSVQG-VIFPVBQESA-N 427.638 4.195 5 20 IIBD CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)ccc1Cl 913419018 DTNRAYRLTVUDQN-UHFFFAOYSA-N 439.921 4.148 5 20 IIBD CCCCS(=O)(=O)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 916787063 YGHBFHZICBESFK-UHFFFAOYSA-N 428.919 4.259 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 918709939 LRDGRMWVGFJBQG-UHFFFAOYSA-N 442.686 4.153 5 20 IIBD Cc1ccc(-n2nc(C)c(NC(=O)COC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c2C)cc1 919210953 KKRCHZARUSQNCO-UHFFFAOYSA-N 448.435 4.247 5 20 IIBD CCCc1c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[nH]c(C)c1C(C)=O 919483580 JHPXSMTYXUGUKN-GFCCVEGCSA-N 435.864 4.224 5 20 IIBD COC(=O)c1oc2ccccc2c1COC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 920780174 YIHCTYXQAYBUDO-NSHDSACASA-N 433.800 4.292 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)Cc1csc(Cc2ccc(F)cc2)n1 920878018 PEVYUZBAVMUNFM-UHFFFAOYSA-N 430.457 4.466 5 20 IIBD O=[N+]([O-])c1ccccc1OCc1nnc(-c2cn(-c3ccccc3)nc2-c2cccnc2)o1 1257770112 ZGUDHOFCHBONJE-UHFFFAOYSA-N 440.419 4.472 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCCc2nc3ccccc3n2C)cc1[N+](=O)[O-])c1ccccn1 1318477920 OMMCOUIFRMCQES-MRXNPFEDSA-N 444.495 4.022 5 20 IIBD CCCN(Cc1nc(O)c2sccc2n1)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 1318889378 INTQUJPUWKTCRJ-UHFFFAOYSA-N 443.529 4.250 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1SCc1cn2ccccc2n1 1319016385 IYPOPWLIZDTUEQ-UHFFFAOYSA-N 446.554 4.100 5 20 IIBD CCn1c(SCc2nnc(-c3ccccc3OC)o2)nnc1-c1ccc([N+](=O)[O-])cc1 1340602845 XVGBYURUKNCZIZ-UHFFFAOYSA-N 438.469 4.224 5 20 IIBD Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)[C@H]4CC4(F)F)cc3)CCC2)cc1[N+](=O)[O-] 1789136860 RCMGHBBVPBELFD-GOSISDBHSA-N 443.450 4.235 5 20 IIBD Cc1cc(F)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C3)c1 1800367968 VINHVAFXJVFPKG-QLBCPNMBSA-N 437.471 4.008 5 20 IIBD Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CSc2ccccc2[N+](=O)[O-])s1 1802183254 ODNXFHSLRZTCOA-MUJYYYPQSA-N 445.566 4.009 5 20 IIBD C/C=C(/C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(F)ccc([N+](=O)[O-])c2C)[nH]n1 1821900699 IUBZUFMQFLLPNV-IXNMTGGESA-N 429.452 4.038 5 20 IIBD O=C(c1ccccc1)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830498887 MEFHTHWIWVMSJU-JOCHJYFZSA-N 439.487 4.281 5 20 IIBD COc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCC(C)C)CC2)ccc1[N+](=O)[O-] 1832696663 DELXTPSVOXRWMW-HXUWFJFHSA-N 445.560 4.273 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)Cc2coc3c(C)c(C)ccc23)c([N+](=O)[O-])c1 9812799 FUYDGCGCHNPIIY-UHFFFAOYSA-N 426.425 4.081 5 20 IIBD COc1cc(C(=O)OCC(=O)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC(F)F 10209120 PCWLFZNYNBJQRZ-UHFFFAOYSA-N 449.284 4.263 5 20 IIBD COc1ccc(Br)cc1-c1nc(COC(=O)c2ccc([N+](=O)[O-])o2)cs1 10922768 IDWSJCZFUBQYSK-UHFFFAOYSA-N 439.243 4.439 5 20 IIBD COc1ccc(OCCNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)cc1 16517131 FGOJFTOOOPSZRD-UHFFFAOYSA-N 445.522 4.328 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(-c2cccs2)n1C1CC1 17270024 BRXLILGJGGSTFE-NSHDSACASA-N 445.526 4.378 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2ccccc2C(C)C)cc1OC 18803186 FHSIELDOEAJFGG-AWEZNQCLSA-N 430.457 4.310 5 20 IIBD CSc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 22559379 PDEXNINUPVMLTB-AWEZNQCLSA-N 429.498 4.101 5 20 IIBD COc1ccc([C@@H](CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 23487031 MTIJZPZGTBGKON-IIBYNOLFSA-N 429.542 4.037 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 24215253 IQMCLNAPKSDXNK-OAHLLOKOSA-N 432.527 4.395 5 20 IIBD COC(=O)c1cnc(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)s1 24364896 KLEKCFJCTFZRKJ-UHFFFAOYSA-N 436.496 4.006 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)NCCc2ccccc2F)cc1[N+](=O)[O-] 25928532 UXIWSIJBNIWJHE-UHFFFAOYSA-N 435.455 4.003 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)Cc2csc(-c3cccs3)n2)cccc1[N+](=O)[O-] 26643687 FLHTVFAKYRNHSX-LBPRGKRZSA-N 431.495 4.201 5 20 IIBD Cc1c(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cccc1[N+](=O)[O-] 28606430 MPVUZLCUCAHZPF-UHFFFAOYSA-N 446.492 4.277 5 20 IIBD CC[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)N1CCc2ccccc2C1 29912256 NWEXXCQPNUWLQW-JOCHJYFZSA-N 439.559 4.108 5 20 IIBD CNC(=O)c1ccc(C)c(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 31920159 QADJJWZGZJSMGU-UHFFFAOYSA-N 427.404 4.012 5 20 IIBD O=[N+]([O-])c1cccc(OCCSc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)c1 46875595 VWQNKNYOYLHPOL-INIZCTEOSA-N 432.527 4.265 5 20 IIBD CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc1Cl 68727407 MSVXMLRPSFPPPO-UHFFFAOYSA-N 446.312 4.184 5 20 IIBD Cc1ccsc1CN(C)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 69552181 OFANPUJWEMVHLN-UHFFFAOYSA-N 445.522 4.038 5 20 IIBD Cn1ncc2c1CCC[C@H]2NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 106076259 APDCHZQFMWWLAS-GOSISDBHSA-N 439.903 4.401 5 20 IIBD Cc1cc(=O)c(C(=O)Nc2ccc(Cl)cc2-n2cccc2)nn1-c1ccccc1[N+](=O)[O-] 111002653 SAUPSGYFJUTUJY-UHFFFAOYSA-N 449.854 4.146 5 20 IIBD Cc1nn(C)c(C(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2F)c1[N+](=O)[O-] 195642079 UATXTIWIZRAHNM-INIZCTEOSA-N 447.264 4.058 5 20 IIBD O=[N+]([O-])c1cc(Br)cnc1N1CCC(c2nc(-c3ccccc3)no2)CC1 301629119 AQWRLOPBUJTSLW-UHFFFAOYSA-N 430.262 4.186 5 20 IIBD CCn1c(SCCC(=O)Nc2ccccc2[N+](=O)[O-])nc2sc(C)c(C)c2c1=O 409879306 JNPZYMXQBLBDOG-UHFFFAOYSA-N 432.527 4.124 5 20 IIBD CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@H](c1ccc(Cl)cc1)c1cnccn1 427461416 ZTROARNEGGILMY-OAQYLSRUSA-N 437.887 4.474 5 20 IIBD O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 431571890 UGMMAMGYVCVICT-UHFFFAOYSA-N 431.404 4.293 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)[C@@H](C)[C@@H]1OCCc2sccc21)c1ccccc1[N+](=O)[O-] 431687732 QWEDGULMOARCED-LFRPXUGBSA-N 446.525 4.105 5 20 IIBD CC1CCN(C(=O)c2ccccc2NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 431789075 PZYAEGMZRRIFHB-UHFFFAOYSA-N 446.301 4.482 5 20 IIBD O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1 435718141 BFRXPLTZBKSYES-UHFFFAOYSA-N 426.319 4.058 5 20 IIBD CC(C)NC(=O)c1ccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1 436060220 DMDPIWNXAABDLD-UHFFFAOYSA-N 435.430 4.350 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc(N2CCN(CC)CC2)cc1C 439894358 CUDYUBUCGBYCLD-UHFFFAOYSA-N 427.505 4.088 5 20 IIBD COc1ccc(O[C@@H](C)CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1 444094188 CNXLNNQCXYSFMO-ZDUSSCGKSA-N 438.430 4.165 5 20 IIBD Cc1cccc2nc(C3CCN(C(=O)C(=O)Nc4ccc([N+](=O)[O-])cc4Cl)CC3)oc12 445205021 QANLIQMRZDRHFF-UHFFFAOYSA-N 442.859 4.043 5 20 IIBD Cc1c(C)n(C[C@@H]2CCCO2)c2ncnc(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)c12 445961191 SISOFEKUFOLDNA-BBRMVZONSA-N 441.463 4.017 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2sc3c(c2C(=O)C2CC2)CCC3)cc1OC 446615874 RVCUFQMACLLQJJ-UHFFFAOYSA-N 430.482 4.397 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 460213657 FETSYKJEUBNEEI-ZWKOTPCHSA-N 447.417 4.204 5 20 IIBD COC(=O)CCN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(F)c1 460222211 OAVDSVAFXPKUIS-UHFFFAOYSA-N 429.429 4.067 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCC[C@](CO)(Cc2ccccc2)C1 461883768 OQUWZGAOSQZIPU-SFHVURJKSA-N 445.388 4.466 5 20 IIBD COc1ccccc1CN(C1CC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 462531756 VWDRJGMJKCQDAO-UHFFFAOYSA-N 431.297 4.264 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCc2cc(OC)ccc21 464193290 WJJSWZKZDDQCMN-MRXNPFEDSA-N 430.526 4.192 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)cc1 469091221 AAIWMKZSWQBGQZ-LJQANCHMSA-N 446.916 4.305 5 20 IIBD COc1cc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)c([N+](=O)[O-])cc1OC(F)F 470575364 SUUYMTYDLJGZGV-LURJTMIESA-N 441.334 4.171 5 20 IIBD Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 470708794 WRLLIQDOSZJWHF-UHFFFAOYSA-N 437.353 4.131 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 472129719 FUYDDCGWXACRFM-UHFFFAOYSA-N 436.443 4.105 5 20 IIBD CC(C)[C@@H](NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 472629824 LVLJVSNRPDCQPS-MRXNPFEDSA-N 427.354 4.205 5 20 IIBD COc1ccc(CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c2nccs2)c(OC)c1 474736883 MILHIZKNCUTAKA-UHFFFAOYSA-N 447.900 4.498 5 20 IIBD COc1ccc(CSCc2nc(-c3ccc(Br)o3)no2)cc1[N+](=O)[O-] 477168210 PPXSFIDGNCWQDE-UHFFFAOYSA-N 426.248 4.442 5 20 IIBD CCOc1cc(N2CCN(C(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)CC2)ccc1[N+](=O)[O-] 477379817 MWKKFNYKENUJIE-QZTJIDSGSA-N 429.904 4.099 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H](CO)c1c(Cl)cccc1Cl 478436269 QRQCFUAYHDXODZ-CQSZACIVSA-N 448.100 4.056 5 20 IIBD Cc1c(C(=O)Nc2ccc(Cl)cc2Br)nnn1-c1cccc([N+](=O)[O-])c1 478945581 ZUVZCZWFLBJTML-UHFFFAOYSA-N 436.653 4.152 5 20 IIBD COc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 479748147 SLWYXXXSSISNDX-UHFFFAOYSA-N 442.449 4.052 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NC(C)(C)CCN3CCCCCC3)cc2)c(C)c1[N+](=O)[O-] 480060592 AMBRECPLSABULP-UHFFFAOYSA-N 441.576 4.231 5 20 IIBD Cc1ccccc1COc1cccc(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c1 482395252 QEJLVSKJXVMTSX-UHFFFAOYSA-N 429.436 4.315 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2c(C)cccc2C(=O)N2CCCC2)cc1SC 483039295 IXXOBSLUHQDVCF-UHFFFAOYSA-N 429.498 4.122 5 20 IIBD Cc1nc2cc(Cl)c(NC(=O)C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)cc2s1 484028270 WQRAPOUYTYTQHG-SNVBAGLBSA-N 432.889 4.291 5 20 IIBD COC(=O)[C@H](C)N(C(=O)Cc1cccc([N+](=O)[O-])c1C)c1ccc(Br)cc1C 484833520 XKKGEXXTMAUMOA-AWEZNQCLSA-N 449.301 4.111 5 20 IIBD Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 487888532 MJQBQPZONPJFII-UHFFFAOYSA-N 448.483 4.221 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2c(C)cc(C)cc2C)o1 488806783 ODPAYRIRHCBOLL-UHFFFAOYSA-N 428.470 4.309 5 20 IIBD COC(=O)CCCNC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 500732038 TWUHAMGTTSSSDR-UHFFFAOYSA-N 442.415 4.448 5 20 IIBD COc1ccc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1O 502520085 HHOHXQLGEXWLJN-UHFFFAOYSA-N 444.447 4.343 5 20 IIBD CCNC(=O)c1ccc(Cl)cc1NCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] 502647835 MOMKBOUBIHCYTN-UHFFFAOYSA-N 443.834 4.263 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCCCc2nc(-c3ccncc3)cs2)cc1SC 503116224 CHESXRNGMSJOGJ-UHFFFAOYSA-N 444.538 4.206 5 20 IIBD Cc1cccc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)c1[N+](=O)[O-] 504882426 NUIQUEYHVPMVGH-LJQANCHMSA-N 431.920 4.139 5 20 IIBD COc1ccc(-c2nc(C)c([C@H](C)NC(=O)COc3cccc([N+](=O)[O-])c3)s2)cc1 505145373 DCFVTERMHNKVTQ-ZDUSSCGKSA-N 427.482 4.292 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1 505223318 JRVOLCMITLYYOJ-MOPGFXCFSA-N 449.301 4.221 5 20 IIBD O=C(N[C@]1(Cc2ccc(Cl)cc2)CCOC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 506593575 DFUCCRMRIBJJBN-VWLOTQADSA-N 432.907 4.466 5 20 IIBD Cc1cc(CC(C)(C)C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)ccc1Br 508070712 WJXJGVFGDCMGOX-UHFFFAOYSA-N 445.317 4.427 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@H](c3ccnn3C)C2)cc1 512584654 WZQXYBFNPZSIQL-INIZCTEOSA-N 436.468 4.149 5 20 IIBD Cc1ccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1S(=O)(=O)NC1CC1 512635496 YISZXXLKJHJRBE-UHFFFAOYSA-N 444.538 4.080 5 20 IIBD CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(=O)c1cc([N+](=O)[O-])cn1C 517766267 RHHNMFXZGDCITJ-UHFFFAOYSA-N 446.813 4.095 5 20 IIBD C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(OCC(F)(F)F)cc1 517946521 MVPBOHGSGZXICE-SNVBAGLBSA-N 438.811 4.229 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 520702513 WGVVRMWZUUZGGP-MRXNPFEDSA-N 431.514 4.027 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1cc(Br)ccc1OC(F)F 522762851 FAZPFLBBZLJBQQ-UHFFFAOYSA-N 449.635 4.471 5 20 IIBD CN1CCC(NC(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)CC1 522767865 FOTRRSUIASRXQX-UHFFFAOYSA-N 436.871 4.073 5 20 IIBD CC(C)(C)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)n(-c2ccccn2)n1 523485674 PBLAVJNCLLQZLS-UHFFFAOYSA-N 444.289 4.488 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H](c1cccc(F)c1)c1cnn(C)c1 523979936 QVZMVSUTHRHDGB-VBKZILBWSA-N 428.489 4.196 5 20 IIBD COCc1c(Br)cccc1NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 524212231 LLZZZYMBEDWSPO-UHFFFAOYSA-N 432.230 4.010 5 20 IIBD C[C@H](Nc1ccc(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1)c1ccccc1 524422570 VJBVLETTXMRHRJ-HNNXBMFYSA-N 444.447 4.003 5 20 IIBD COc1ccccc1Oc1ccc(CNC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)cc1 525565074 LMXNXIGBHITUEW-UHFFFAOYSA-N 438.436 4.343 5 20 IIBD C[C@H](Sc1n[nH]c(-c2cc(F)cc(F)c2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 525626781 XGSVXVAGNIYQTI-QMMMGPOBSA-N 439.831 4.431 5 20 IIBD CN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@H](c1ccc(Cl)cc1)C(F)(F)F 531830875 XEEVKXBEKQFTKC-QGZVFWFLSA-N 443.809 4.130 5 20 IIBD O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)c1c[nH]c2cccc([N+](=O)[O-])c12 535697032 UEKKHNOIUNILBX-CYBMUJFWSA-N 443.301 4.095 5 20 IIBD CCc1cc(Br)ccc1NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 537354329 QIAZLASQFCRDDQ-UHFFFAOYSA-N 434.290 4.009 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C3)cs1 537897668 YXNOPBJRMVNYJY-GFCCVEGCSA-N 428.539 4.474 5 20 IIBD C[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(NC(=O)c2ccccc2)c1 538129711 SIYGCEOHOHURTJ-SBUREZEXSA-N 444.491 4.303 5 20 IIBD COc1ccc([C@H](OC)[C@@H](C)NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 539029917 HCPZOGYGEWQFEL-PIGZYNQJSA-N 425.388 4.103 5 20 IIBD CCOc1cc(C(=O)N[C@](C)(c2ccc(F)cc2)C(F)(F)F)c([N+](=O)[O-])cc1OC 541940629 VVOCMAHTACKFNC-GOSISDBHSA-N 430.354 4.349 5 20 IIBD COc1cccc([C@@H]2C[C@@H](C)CN2c2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)c1 542208576 ZUGFTZYEIYUYDM-KUHUBIRLSA-N 440.887 4.390 5 20 IIBD C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OCc2ccccc2)cc1 543599005 KRIVOCXANCEZLS-SFHVURJKSA-N 440.521 4.298 5 20 IIBD Cc1nc(-c2ccccc2)sc1NC(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 544156329 JVHSNKKDFPXAAW-UHFFFAOYSA-N 438.509 4.104 5 20 IIBD Cn1cnc(-c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)cc2)n1 544343104 HVMAGJPKJKHUQH-UHFFFAOYSA-N 428.452 4.255 5 20 IIBD COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 544733687 HGUPDJZOEMSOJG-ZDUSSCGKSA-N 425.466 4.322 5 20 IIBD CCO[C@@H]1C[C@H](NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)[C@@]12CCCO2 545348433 AYXMNFSERHCQKV-VWPQPMDRSA-N 446.887 4.497 5 20 IIBD Cn1ccc([C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c2ccc(Cl)cc2)n1 545815167 WUDUBAPELPCFRA-FQEVSTJZSA-N 425.876 4.075 5 20 IIBD Cc1ccccc1C(NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccccc1C 546159827 JZHGFICIFYZXPQ-UHFFFAOYSA-N 431.448 4.025 5 20 IIBD CC(C)(C(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1)c1ccccc1[N+](=O)[O-] 551847158 GZVMIUMKNLYWQN-UHFFFAOYSA-N 443.550 4.133 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CC[C@H](C(F)(F)F)[C@H](CO)C3)c([N+](=O)[O-])c2)cc1 553601771 OSEFSSBUFTXIJO-RDJZCZTQSA-N 437.418 4.153 5 20 IIBD CCOc1ccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1CO 556631018 SGTPPJOBKHVXMV-IYBDPMFKSA-N 427.501 4.220 5 20 IIBD C[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(NC(=O)c2ccncc2)cc1 557539211 IEHHGRYFJOEIQI-OAHLLOKOSA-N 444.451 4.143 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CN[C@H](c2ccccc2)c2cccnc2)c1 558483643 XOFFLJKLLROYTA-LJQANCHMSA-N 445.260 4.474 5 20 IIBD O=C(NCc1c(F)cccc1N1CCCC1)c1sc(Br)cc1[N+](=O)[O-] 560709487 FUQLTZARSVUXTG-UHFFFAOYSA-N 428.283 4.088 5 20 IIBD COc1ccc(CC(=O)N2C[C@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)cc1[N+](=O)[O-] 561446400 VBOPDCYDEAJWAY-DJJJIMSYSA-N 438.402 4.153 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc3sc(N4CCCC4)nc3s2)c(C)c([N+](=O)[O-])c1 564121990 ZZUGQPACBNKXLP-UHFFFAOYSA-N 446.510 4.214 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(Cc1ncc(-c3cccc(Br)c3)o1)CCO2 574322987 VUZWGDUFYVVPDN-UHFFFAOYSA-N 430.258 4.407 5 20 IIBD COc1cc(C(=O)N(Cc2cccs2)C[C@H]2CCCO2)c([N+](=O)[O-])cc1OC(F)F 585705089 WLLCEQRRKPCCEB-GFCCVEGCSA-N 442.440 4.088 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(c1ccccc1)C1CCN(C)CC1 585739562 SPRJOKFUWMVFPF-UHFFFAOYSA-N 432.318 4.407 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC[C@H](c1ccco1)N1CCCC1 600879414 IAVYABGEXFPROG-OAHLLOKOSA-N 443.447 4.252 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCC(C(=O)N2CCCCC2)CC1 603730715 OGLRQAUGDHETPP-UHFFFAOYSA-N 437.496 4.252 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(Br)c(C(F)(F)F)c2)c1 603779010 JWCQLQUPTUKZKZ-UHFFFAOYSA-N 425.182 4.177 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1Oc1nc(CN2CCOCC2)nc2sc3c(c12)CCCC3 603863442 MPPNIECMUBCYNM-UHFFFAOYSA-N 440.525 4.411 5 20 IIBD C[C@H](CC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)CC(C)(C)C 603945014 LSBLQTIJCKBTMM-GFCCVEGCSA-N 425.532 4.285 5 20 IIBD O=C(Nc1ccc(F)cc1Cl)c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 603982244 AYDVHRLFYSKJMV-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD O=C(Nc1cccc(F)c1)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 603983799 ZBODSYXRRKFKOY-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD CCCCC1CCC(C(=O)Nc2ccc(CNC(=O)Cn3cc([N+](=O)[O-])cn3)cc2)CC1 608899488 WNDPHUXNOJIPGL-UHFFFAOYSA-N 441.532 4.043 5 20 IIBD CC[C@H](C)[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 609174236 JAHHRHPLLYXIMF-IFXJQAMLSA-N 430.530 4.040 5 20 IIBD C[C@H]1CN(CCCNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C[C@H](C)O1 609780994 IROYMTOSLSBOSK-IRXDYDNUSA-N 428.489 4.008 5 20 IIBD COc1cc(C(=O)NC[C@@H](C)Cc2cccs2)c([N+](=O)[O-])cc1OCc1cscn1 610191597 QJCKDKSVHPXWOJ-ZDUSSCGKSA-N 447.538 4.309 5 20 IIBD CCCN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@@H]1C[C@H](OCC)C12CCCCC2 610192581 JQWNVXCNRZJIIR-RTWAWAEBSA-N 441.532 4.156 5 20 IIBD Cc1cc(C)n(-c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2)n1 610954046 HZZKVXXPQGEHCU-UHFFFAOYSA-N 440.403 4.217 5 20 IIBD COC[C@@H](N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)C1CC1 610999349 HGMJJMYWBKCSGK-RTBURBONSA-N 448.317 4.052 5 20 IIBD Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)N(C)c1cccc([N+](=O)[O-])c1 611090687 ORZJCESEPJWMHW-UHFFFAOYSA-N 433.390 4.017 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCN(c2ccc(F)cc2F)C1 612041561 RANSGCURCGNQNC-CYBMUJFWSA-N 427.860 4.014 5 20 IIBD CC(C)COC(=O)N1CCC(COC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 726346173 QTYBHFCXJJCISG-UHFFFAOYSA-N 447.513 4.380 5 20 IIBD COc1ccc(CC(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)cc1[N+](=O)[O-] 727664861 DSTVTQFNTXUXLU-UHFFFAOYSA-N 425.485 4.189 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)cc1 727987437 JVABLNDQEYPTDU-GOSISDBHSA-N 449.479 4.324 5 20 IIBD O=C(NCc1ccnc(N2CCCCCC2)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 730506254 LCGKXAVBAHXQMW-UHFFFAOYSA-N 437.544 4.291 5 20 IIBD C[C@H](OC(=O)c1ccccc1OCc1cccs1)C(=O)Nc1ccc([N+](=O)[O-])cc1 730616991 BIYMERWNYNFJEV-AWEZNQCLSA-N 426.450 4.419 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1C 730688766 LIZIBBUIGKEMOF-HUUCEWRRSA-N 443.308 4.127 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)ccc1Cl 733252601 YWAPXSQKBFBPFO-UHFFFAOYSA-N 441.252 4.285 5 20 IIBD COc1ccc2cc(/C=C/C(=O)OCCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)ccc2c1 735339526 HYDYIIIPKWARGD-ONNFQVAWSA-N 448.431 4.311 5 20 IIBD C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 736118506 TULKNUGFMDVRAM-KUDFPVQQSA-N 444.509 4.156 5 20 IIBD CS(=O)(=O)c1cccc([C@@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 743019748 IOLYWAHMWMZSLK-FQEVSTJZSA-N 441.534 4.074 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccnc(F)c1 743189131 OXKNBMPVSWQMTC-SFHVURJKSA-N 429.791 4.319 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@@H](COc1ccccc1F)c1ccccc1 745765950 OSXLHLBWVQXNQE-IBGZPJMESA-N 428.391 4.188 5 20 IIBD Cc1nnc(-c2ccc(C(=O)Oc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)cc2)o1 746106822 RZKPEEVVSRBLGA-UHFFFAOYSA-N 444.403 4.425 5 20 IIBD CC(C)CN(Cc1ccccc1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 746186855 OWLKHEIPWSKNEE-UHFFFAOYSA-N 427.320 4.204 5 20 IIBD Nc1ccc(C(=O)Nc2cccc(CNC(=O)Nc3ccccc3Cl)c2)cc1[N+](=O)[O-] 747993775 CDLOADZKGYFWEU-UHFFFAOYSA-N 439.859 4.404 5 20 IIBD C[C@@H](OC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ncc(-c2ccc(Cl)cc2)o1 751646688 JTSVELRLNIYHIZ-LLVKDONJSA-N 443.799 4.116 5 20 IIBD Cc1ccc([C@H](NC(=O)COC(=O)c2c(F)ccc([N+](=O)[O-])c2F)c2cccs2)cc1 752568576 QRROKLVEVHWWFH-FQEVSTJZSA-N 446.431 4.306 5 20 IIBD O=C(OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(-c2ccc(F)cc2)s1 753520859 WKQVPWJDRJKYJK-UHFFFAOYSA-N 426.425 4.209 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1)C1CC1 753762570 IQKFVUHNVBSOGU-OAHLLOKOSA-N 448.859 4.121 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 755350176 OJCPNCLVLBFXGD-UHFFFAOYSA-N 427.457 4.149 5 20 IIBD Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)Cc1ccc([N+](=O)[O-])cc1Br 756526317 IGUQPLLZCTXONG-ZDUSSCGKSA-N 435.274 4.087 5 20 IIBD CC(=O)c1ccc(Oc2ccc(C(=O)OCC(=O)Nc3ccccc3[N+](=O)[O-])cc2)cc1 760574429 AXVLYDMKYHFOPC-UHFFFAOYSA-N 434.404 4.385 5 20 IIBD CCc1ccc(-c2noc([C@H](C)NC(=O)NCc3cc([N+](=O)[O-])ccc3Cl)n2)cc1 760800817 MRWOZIODKYZKGT-LBPRGKRZSA-N 429.864 4.421 5 20 IIBD COc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 762171598 PKENRKYFHJOLMA-MHECFPHRSA-N 434.492 4.469 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)OCCCO2 763806414 OXNUFNDAVMHCQY-ZDUSSCGKSA-N 446.481 4.052 5 20 IIBD COC(=O)c1oc([C@@H](C)OC(=O)c2cc([N+](=O)[O-])c(Br)cc2F)cc1C 767364094 CJYGWKXYSMWANH-MRVPVSSYSA-N 430.182 4.102 5 20 IIBD CC(C)(C)OC(=O)NC[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)C1CCCC1 767409817 IYLWODMDCRLSSD-IBGZPJMESA-N 446.548 4.326 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)c1ccc(OS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 767600609 ZWFILEJOAUFUEE-CQSZACIVSA-N 436.486 4.089 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1c1noc(-c2ccc(Br)cc2[N+](=O)[O-])n1 769891759 UJNNBQZPELOAFP-LBPRGKRZSA-N 439.266 4.479 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)C1(Cc2ccc(Cl)cc2)CC1 771178338 LWRHFSKGVVQZQP-ZDUSSCGKSA-N 432.860 4.150 5 20 IIBD Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 772034649 TYBPNHQBKQKBFS-UHFFFAOYSA-N 448.357 4.108 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(N2CCO[C@H](c3ccc(F)cc3Cl)C2)cc1Cl 772212627 CZDHBOKHAAIKNJ-KRWDZBQOSA-N 429.231 4.405 5 20 IIBD O=C(Nc1cccc(-c2ccc3c(c2)CCO3)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 772445734 RCIBDTPZCXWQET-UHFFFAOYSA-N 445.475 4.286 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N[C@@H](C)CC2CCCCC2)cc1[N+](=O)[O-] 774017556 NQCYEQMUSGBYJF-LBPRGKRZSA-N 426.311 4.079 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cc(OCC(F)F)ccn2)cc1)c1cccc([N+](=O)[O-])c1 777878581 CEAKRSAJCCKDBZ-UHFFFAOYSA-N 443.362 4.105 5 20 IIBD C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 777905547 JLZAZFJQNANFTR-AWEZNQCLSA-N 446.479 4.202 5 20 IIBD CC(C)(C)OC(=O)N1CCCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c2ccccc21 778788823 SNZBPFUKQFGUNE-UHFFFAOYSA-N 441.440 4.116 5 20 IIBD O=C(O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)C1(c2ccccc2Cl)CCOCC1 778800957 ISPMDWSWHPFNIK-INIZCTEOSA-N 448.878 4.258 5 20 IIBD CCCN(CC)C(=O)c1ccc(C(=O)O[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3F)C2)cc1 778808322 VCKZPBGPLGOKEM-LJQANCHMSA-N 443.475 4.042 5 20 IIBD COc1cc(COC(=O)c2ncoc2-c2ccccc2)c([N+](=O)[O-])cc1OCC(F)F 780068722 RTGXXQCERUNBTM-UHFFFAOYSA-N 434.351 4.259 5 20 IIBD CC(C)[C@@H](OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)N1C[C@@H](C)C[C@@H](C)C1 781260147 NSQCZBCQJPCXIA-XVTZWQNCSA-N 434.536 4.367 5 20 IIBD O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccccc1C(=O)c1ccccc1 783365302 OVKQGDBJELOEAL-UHFFFAOYSA-N 445.475 4.294 5 20 IIBD O=C(COC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc2c(c1)OC1(CCCC1)O2 785937996 XSKJZJZICHZICW-UHFFFAOYSA-N 446.843 4.014 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)Cc1ccc([N+](=O)[O-])cc1Cl 785951905 AVDFPQLWEFOTFP-NSHDSACASA-N 441.267 4.332 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)nc(Cl)c1 787933961 HFZSOULETGYFLB-UHFFFAOYSA-N 430.269 4.204 5 20 IIBD O=[N+]([O-])c1ccc(CSc2nnc(-c3ccncc3)n2CC(F)(F)F)c([N+](=O)[O-])c1 789917372 YGPGEJFQQPTNJU-UHFFFAOYSA-N 440.363 4.011 5 20 IIBD O=[N+]([O-])c1cc(CN[C@H](CO)c2ccccc2OC(F)(F)F)ccc1Br 793349051 OIVVQHQRQGNOCT-CYBMUJFWSA-N 435.196 4.079 5 20 IIBD C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H](c2cccc(C(F)(F)F)c2)O1 795073228 HHJXLJDBJIEDAE-KZULUSFZSA-N 425.363 4.484 5 20 IIBD CN(Cc1cc(Br)cs1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F 795796982 QXAILZRIUWJHQJ-UHFFFAOYSA-N 443.703 4.032 5 20 IIBD O=C(NC[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1)OCc1ccccc1 797622857 XQUXRPCHYMOATP-INIZCTEOSA-N 446.891 4.419 5 20 IIBD Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1c1ccsc1 799762681 JGFUTRIDYUKCQL-CYBMUJFWSA-N 431.333 4.253 5 20 IIBD Cn1cc(C(=O)OCC(=O)c2cccc(Cl)c2Cl)c(-c2ccc([N+](=O)[O-])cc2)n1 801829316 IKILJPMLNDQLNJ-UHFFFAOYSA-N 434.235 4.342 5 20 IIBD O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 807794506 ABPXNRBPBZTJNR-MRXNPFEDSA-N 437.399 4.201 5 20 IIBD COc1cc(C(=O)O[C@H](C)c2ccc(SCC(=O)N(C)C)cc2)cc([N+](=O)[O-])c1C 809071096 SPMZJTPRLLFBCP-CQSZACIVSA-N 432.498 4.010 5 20 IIBD O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1Cl 809807666 QXKNLSUOUPENFO-UHFFFAOYSA-N 435.864 4.347 5 20 IIBD O=C(NCc1ccc(OCCOc2ccccc2)nc1)Nc1cccc([N+](=O)[O-])c1Cl 809914267 XHDWEKOYVZSGBK-UHFFFAOYSA-N 442.859 4.423 5 20 IIBD C[C@@H](Sc1ccccc1C(=O)OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(N)=O 811086313 SJUBYFHBGBJPGQ-SECBINFHSA-N 429.281 4.225 5 20 IIBD CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](COC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 813159077 XEDHAQOQELBBHH-AJHXJQRKSA-N 426.416 4.044 5 20 IIBD Cc1cc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c(C(=O)NCC(F)(F)F)cc1F 813290276 AUGNRNVVUUDUMQ-LLVKDONJSA-N 427.354 4.077 5 20 IIBD Cc1csc(Sc2ccc(-c3nc(-c4ccnc5ccnn45)no3)cc2[N+](=O)[O-])n1 813345757 SIVHXEGLKNCBHL-UHFFFAOYSA-N 437.466 4.271 5 20 IIBD COc1ccc(CN2CCCN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC2)cc1 813402597 JSLGXYDVNAUPAL-UHFFFAOYSA-N 438.311 4.258 5 20 IIBD Cc1cc2cc(S(=O)(=O)Oc3ccc([N+](=O)[O-])c4ncccc34)ccc2nc1Cl 815033730 RKDUMXFBXCAHNC-UHFFFAOYSA-N 429.841 4.421 5 20 IIBD O=C(Nc1cccc(Br)c1)C1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 864049642 NRXBHBLGUJLBSB-UHFFFAOYSA-N 449.261 4.121 5 20 IIBD COc1ccc(C(=O)OCC(=O)N2c3ccccc3CCc3ccccc32)cc1[N+](=O)[O-] 864114180 KRWOTSPUQLRVPK-UHFFFAOYSA-N 432.432 4.224 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])Cn1[nH]c(-c2ccccc2Br)nc1=S 914783505 LKZKLOUAFGPFIJ-UHFFFAOYSA-N 434.319 4.368 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc2ccc(Br)cc2s1 916110973 JTFYZUPBCMNWNM-UHFFFAOYSA-N 428.289 4.076 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@H]1CCN(c2ccc(Br)cc2)C1 918675169 AEQKPDXRAWZJTB-BPAYBPMLSA-N 430.302 4.013 5 20 IIBD C[C@H](Nc1ccc(C(=O)Oc2cccc(C(=O)NC3CC3)c2)cc1[N+](=O)[O-])c1ccccn1 920113087 PRLCWQBDHHMUOS-HNNXBMFYSA-N 446.463 4.274 5 20 IIBD O=C(Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-])c1ccc(S(=O)(=O)C(F)F)cc1 920330560 GNJGFUBFHRHZBB-UHFFFAOYSA-N 433.388 4.477 5 20 IIBD C[C@H](OC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2ccccc2c1 920554222 KOHZIHUPJAEINE-HNNXBMFYSA-N 444.447 4.333 5 20 IIBD Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)nc(C)c1Br 1116527188 SALLHFYSZSUVIO-UHFFFAOYSA-N 429.068 4.384 5 20 IIBD C[C@H](OC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])C(=O)NCc1ccco1 1321668154 BPUHNQXWCGVKHP-AWEZNQCLSA-N 426.450 4.201 5 20 IIBD O=[N+]([O-])c1ccc(Oc2ccccc2)c(-c2nnc(-c3ccc(-n4cnnn4)cc3)o2)c1 1323119725 VVWNOAATOKIVCY-UHFFFAOYSA-N 427.380 4.080 5 20 IIBD O=C1C[C@@H](c2nnc(COc3ccccc3[N+](=O)[O-])o2)CN1c1cc(Cl)cc(Cl)c1 1330052150 UDQXYIULZGLVGK-LLVKDONJSA-N 449.250 4.384 5 20 IIBD O=C(Cc1cc(F)ccc1[N+](=O)[O-])NC1(c2ccc(NC(=O)[C@@H]3CC3(F)F)cc2)CCC1 1789137859 URILVCKXEDXFTC-KRWDZBQOSA-N 447.413 4.066 5 20 IIBD Cc1cnoc1C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3F)CCC2)cc1 1789978938 LEXAFWAQRBXLBH-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD C[C@H]1CCC[C@H]1C(=O)NC1(c2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2)CCC1 1790619974 OXRFPOUNMZDMJB-HNAYVOBHSA-N 437.496 4.484 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(C2(NC(=O)c3ccno3)CCC2)cc1 1792315560 AWKQKJQYZJPFHS-IZZDOVSWSA-N 432.436 4.044 5 20 IIBD CC/C=C(\C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(C)c([N+](=O)[O-])c2)n[nH]1 1820920806 NEOUYVSGLRNFHD-MERDRXRJSA-N 439.516 4.217 5 20 IIBD Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)CC(C)C)CC2)cc1[N+](=O)[O-] 1830363410 ZLHZVPVRTXRWQA-NRFANRHFSA-N 429.561 4.112 5 20 IIBD O=C(COC(=O)c1cccnc1Nc1ccccc1F)Nc1ccc([N+](=O)[O-])cc1Cl 9349458 FDTFODSAXJLNGE-UHFFFAOYSA-N 444.806 4.321 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CSc3nnc(NCCc4ccccc4)s3)o2)cc1 10774113 PJTSLZJVKHOCBN-UHFFFAOYSA-N 440.510 4.443 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1CC(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 19196049 JBLJHAKFCJRNHS-MRXNPFEDSA-N 447.451 4.294 5 20 IIBD CC(C)C[C@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccccc1 21835504 FCGWKHTZCQXAOL-KRWDZBQOSA-N 425.514 4.392 5 20 IIBD Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 24949841 MYFSRYFVFUESCU-UHFFFAOYSA-N 432.480 4.192 5 20 IIBD Cc1ccc(F)cc1NC(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 57530831 NDOTYYYQOCRYGI-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 57919205 PMQRTNRHOLGHSP-UHFFFAOYSA-N 439.855 4.082 5 20 IIBD Cn1c(SCCCS(=O)(=O)c2ccc(F)cc2)nc2cc3ccccc3cc2c1=O 63534045 OKBOFVGCQUKJLF-UHFFFAOYSA-N 442.537 4.182 5 20 IIBD Cc1nn(-c2ccc(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)cc2)c(C)c1Br 71881087 FUNOCYDUCVSARO-UHFFFAOYSA-N 441.285 4.363 5 20 IIBD C[C@H](OC(=O)/C=C\c1ccc2ccccc2n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 205660179 HJTLOWPEGDMEGW-ZWXCPPHNSA-N 425.828 4.380 5 20 IIBD NC(=O)c1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1 237747820 PDSRLMBWSSFKOX-UHFFFAOYSA-N 430.258 4.006 5 20 IIBD NC(=O)Nc1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1 237902672 WCEVCCLSVDIMEP-UHFFFAOYSA-N 445.273 4.398 5 20 IIBD COc1ccc(C(C)=O)cc1CC(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 253383430 LMXNZDPSIOGNAN-UHFFFAOYSA-N 425.466 4.419 5 20 IIBD Cc1cc(C)n(-c2ccc([C@H](C)Nc3ccc(C(=O)N4CCOCC4)cc3[N+](=O)[O-])cc2)n1 301753561 WDNIMOWJMBXBHC-SFHVURJKSA-N 449.511 4.043 5 20 IIBD C[C@@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 409666733 PCFDFBTUMPYZMN-OCCSQVGLSA-N 438.347 4.059 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](CO)Cc1ccccc1C(F)(F)F 427556278 YXVGQXVFHXXJTL-UONOGXRCSA-N 442.459 4.062 5 20 IIBD CCN(C[C@H](O)C(F)(F)F)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 428510740 QVARIEMUGDLVAZ-KRWDZBQOSA-N 445.825 4.246 5 20 IIBD C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 428777692 JKWGXTHRJBLZDK-KUHUBIRLSA-N 437.418 4.038 5 20 IIBD CC(C)(c1ccc(NC(=O)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1)C(F)(F)F 429988226 GRMBRLAGYFWGTI-UHFFFAOYSA-N 443.809 4.343 5 20 IIBD COc1cc(C(=O)Nc2nnc([C@H]3CCCc4ccccc43)s2)cc([N+](=O)[O-])c1OC 432637229 ZONLQYCGUNXJRG-HNNXBMFYSA-N 440.481 4.184 5 20 IIBD CC1(C)CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCN1Cc1ccccc1 436416558 CNZKSMYPBMVIDT-UHFFFAOYSA-N 425.532 4.418 5 20 IIBD COc1cccc(-c2noc([C@H](C)NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2)c1 437032602 LVMVNZDRKIOSCI-JTQLQIEISA-N 436.346 4.163 5 20 IIBD O=C(Nc1ccc(OC2CCCCC2)cc1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 437055620 FPWWPEZYALULIB-UHFFFAOYSA-N 437.496 4.436 5 20 IIBD Cc1c(Cl)cccc1NC(=O)CCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437151278 MDMDWLGFOVZNCM-UHFFFAOYSA-N 429.782 4.334 5 20 IIBD O=C(N[C@H]1CCN(c2ccccc2OC(F)F)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437291865 WLERMNLHCSCWOC-ZDUSSCGKSA-N 445.344 4.224 5 20 IIBD O=C(N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 437453017 XGECKMMQOLAFHZ-KOMQPUFPSA-N 430.386 4.475 5 20 IIBD CCN(CC)CCN(CCC(F)(F)F)C(=O)c1ccc(Br)cc1[N+](=O)[O-] 438439883 RUWAAPLARWACMP-UHFFFAOYSA-N 440.260 4.094 5 20 IIBD CC(=O)Nc1ccc(C)c2c1CCCN2C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 438945195 CZHIHBIROIEJIX-UHFFFAOYSA-N 431.876 4.263 5 20 IIBD CC[C@@H](Nc1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1[N+](=O)[O-])c1ncc[nH]1 439642419 HTPBXVSUSKPNIX-QGZVFWFLSA-N 429.502 4.096 5 20 IIBD COc1cc(OC)cc(OCCCN(C)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 440954703 RSZUNLXUJUAZFO-MRXNPFEDSA-N 431.489 4.092 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C 443949893 UGIGOENBOPYRHD-UHFFFAOYSA-N 449.305 4.385 5 20 IIBD CC(C)c1ccc(Cn2nccc2NC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 445105203 HSXJPMZFONOVHJ-UHFFFAOYSA-N 433.472 4.161 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3ccc(NC(=O)c4ccccc4)cc3)n2)c1 445583404 LUDOUINXQWSCCN-UHFFFAOYSA-N 430.420 4.497 5 20 IIBD C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1cccc(N2CCCC2)c1 446480578 UBSVMRQFTKNBHN-CQSZACIVSA-N 432.318 4.377 5 20 IIBD Cc1nc(-c2ccc(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)o2)cs1 446951375 GBEWQGBGOPAPCC-UHFFFAOYSA-N 447.416 4.117 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)[C@H](NCCc1ccc(S(=O)(=O)N3CCCCC3)s1)CCC2 447564509 XJXVYWLMXXPGPR-HXUWFJFHSA-N 449.598 4.041 5 20 IIBD Nc1c(C(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)cc(F)cc1[N+](=O)[O-] 447690962 MWWNCEKSVJQQRT-UHFFFAOYSA-N 438.202 4.458 5 20 IIBD Cc1cccc(-c2nnc(N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2C[C@@H]2CCOC2)n1 461525006 YALBNLGAHSRIHO-IBGZPJMESA-N 436.516 4.008 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](CC(=O)N(C)C)c2cc(Cl)ccc21 462602662 NIMWLNVUVYSRBI-IAGOWNOFSA-N 443.931 4.426 5 20 IIBD C[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1nc(-c2cccc(F)c2)no1 464914504 UYVPEKNHHBMLNO-LLVKDONJSA-N 439.428 4.398 5 20 IIBD O=C(NCc1sccc1Br)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465820853 XHHRVMACJAUMFV-UHFFFAOYSA-N 440.319 4.172 5 20 IIBD Cc1ccc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c(O[C@H]2CCOC2)c1 467369373 KKBJKGQMNHECAZ-SFHVURJKSA-N 439.493 4.124 5 20 IIBD COC(=O)c1cc(NC(=O)Cc2csc(Cc3ccc(F)cc3)n2)c(C)c([N+](=O)[O-])c1 468139012 VDKWSSCSTCYAFE-UHFFFAOYSA-N 443.456 4.057 5 20 IIBD Cc1ccc(CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(-n2cc(Cl)cn2)n1 468676754 MMMYROMHNZRZTR-AWEZNQCLSA-N 428.880 4.006 5 20 IIBD C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CCC(OC(C)(C)C)CC1 469113431 XPMYHVKIKAFHIS-AWEZNQCLSA-N 432.546 4.325 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@@H](C)CN(Cc3ccccc3)C[C@H]2C)cc1SC 472494854 FUWYDHXTBTVATF-BRLLKYFNSA-N 443.569 4.212 5 20 IIBD C[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1cccc([N+](=O)[O-])c1 473426139 NOJCTTVSIRWZJD-BDJLRTHQSA-N 437.283 4.067 5 20 IIBD C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F 475640972 SLGTVTOOYBGCAE-GTNSWQLSSA-N 445.825 4.307 5 20 IIBD CN(C[C@@H]1CCCC[C@@H]1O)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 481358200 HPHFAFURBJSKOL-NDXORKPFSA-N 431.920 4.411 5 20 IIBD O=C1CCc2cc(NC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)ccc2N1CC1CC1 482604967 GMFXHJIYOILILO-UHFFFAOYSA-N 434.496 4.481 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C[C@@]2(CCCOC2)O1 482954936 DZOBTWFMBFOARE-OPAMFIHVSA-N 428.510 4.156 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccc(OCC(F)(F)F)cc1 483917634 RDWSGCYNKMYQGT-UHFFFAOYSA-N 431.798 4.231 5 20 IIBD CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1c(Cl)cccc1Cl 485006264 QVTWYKYVFSFOOV-UHFFFAOYSA-N 439.299 4.191 5 20 IIBD O=C(Nc1n[nH]c(-c2cc3ccccc3o2)n1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 485121623 PFGKSESLXRZTQV-UHFFFAOYSA-N 447.329 4.320 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(C(=O)c2ccc(C)cc2)CC1 485890466 HJBQRZCRMAQZEQ-UHFFFAOYSA-N 427.526 4.050 5 20 IIBD CCn1c([C@H]2CCCN2C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)nc2ccccc21 486099644 YGKVTVORDFUFGS-OAQYLSRUSA-N 430.468 4.127 5 20 IIBD Cc1cccc(CN(Cc2ccccn2)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c1 486245855 SJXRCLXOQHIOHF-UHFFFAOYSA-N 427.464 4.327 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCC(c3cccc(OC)c3)CC2)c(C)c([N+](=O)[O-])c1 486873798 MIDVDURFAJPAGL-UHFFFAOYSA-N 427.457 4.110 5 20 IIBD Cc1cc(C)c(C[C@@H](C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C(F)(F)F)c(C)c1 487097995 IIIQQWBXBPPLLR-SFHVURJKSA-N 438.450 4.301 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)N1Cc2ccccc2[C@H](c2ccccc2)C1 487870708 LKKMZIXQGPMNOJ-QFIPXVFZSA-N 439.471 4.084 5 20 IIBD O=C(Nc1cc(Cl)ccc1OCC1CCC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 488687786 RNHBLLAKHJWJSJ-UHFFFAOYSA-N 433.896 4.493 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1CSc1nc(CN2CCOCC2)nc2ccccc12 488796033 GVTGWADGPVLDLP-UHFFFAOYSA-N 430.917 4.316 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](COc1ccccc1F)C(C)(C)C 489040674 WBVGVSBAEXVCRV-VBKZILBWSA-N 433.480 4.153 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(C)ccc1OC(F)F 489910622 ZLEBHTZKELXCMV-UHFFFAOYSA-N 426.441 4.173 5 20 IIBD Cc1cc(CN(CC(C)C)C(=O)Cc2ccc([N+](=O)[O-])cc2F)nc(N2CCCCC2)n1 490142517 NKYFPZQIASIZKI-UHFFFAOYSA-N 443.523 4.050 5 20 IIBD O=C1c2ccccc2C(=O)N1c1cccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 490400323 NPVGPEUSVLXMIY-UHFFFAOYSA-N 441.443 4.200 5 20 IIBD Cc1cccc([C@H](NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C(C)(C)C)c1 490493116 PSAJYIKDYXHLKC-IBGZPJMESA-N 444.557 4.220 5 20 IIBD COC(=O)c1cc(CN(C)C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])oc1C 492819835 UAODBIKQKSOZSI-UHFFFAOYSA-N 438.436 4.134 5 20 IIBD CCOc1ccc(-c2csc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)n2)cc1 500258706 JBWFCNZHMUNKKK-UHFFFAOYSA-N 427.438 4.141 5 20 IIBD O=C(Nc1ccc2c(c1)CCN2C(=O)c1cccnc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 505171985 WGUUXKTYWWTBFV-UHFFFAOYSA-N 443.463 4.019 5 20 IIBD CCCN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C1CCN(C(=O)c2ccccc2)CC1 505325469 IIZXXAVATCCIFL-UHFFFAOYSA-N 434.496 4.233 5 20 IIBD CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 505416302 RZHAONUHKFQKFC-LJQANCHMSA-N 446.345 4.195 5 20 IIBD Cn1cc(C(=O)NCCCc2cccc(C(F)(F)F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 507014647 IXHXRYWHOVSVHO-UHFFFAOYSA-N 432.402 4.377 5 20 IIBD COc1ccc(CNCC(=O)Nc2cccc(F)c2)cc1OCc1ccc([N+](=O)[O-])cc1 507934712 VWYOIAWIQVWDGR-UHFFFAOYSA-N 439.443 4.050 5 20 IIBD CCCN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCCN(Cc2ccccc2)C1 508454677 ITOXKXPBWJAQHG-HSZRJFAPSA-N 447.539 4.297 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N1CCC[C@H]1C1CCCCC1 508983664 CHPYWTIADJFJQZ-INIZCTEOSA-N 428.270 4.384 5 20 IIBD Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1CCCc2ccc([N+](=O)[O-])cc21 509982551 OIGDRPGBEIOJJG-UHFFFAOYSA-N 429.480 4.320 5 20 IIBD O=C(Cc1ccccc1Br)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 511543317 SEUPEWUINVWAHH-UHFFFAOYSA-N 431.208 4.491 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N[C@H]2CCc3ccccc3OC2)cc1[N+](=O)[O-])c1ccccn1 511626604 OQWHVZYHFSTUIN-APWZRJJASA-N 432.480 4.287 5 20 IIBD CCOC(=O)c1sc2nc(CN(C)C)nc(SCc3ccc([N+](=O)[O-])cc3)c2c1C 513984407 BZQPMHUKTWPOAV-UHFFFAOYSA-N 446.554 4.439 5 20 IIBD Cn1ncc2c(O)nc(/C=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)nc21 515606626 IHMHAXQADXJNQV-DAXSKMNVSA-N 442.229 4.170 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)N1CCC(CCc2ccccc2)CC1 515944818 BKXHORGWPKDGGY-UHFFFAOYSA-N 447.438 4.006 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 518178987 SMRROXPXBMMFPZ-UHFFFAOYSA-N 427.436 4.229 5 20 IIBD CC[C@@H](c1ccccc1)c1nnc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)s1 518562960 QGMBUDRUGKDUJZ-KRWDZBQOSA-N 434.481 4.426 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N(Cc3ccco3)c3ccccn3)cc2)c(C)c1[N+](=O)[O-] 519072270 INHCKEGZWWSOQO-UHFFFAOYSA-N 431.452 4.291 5 20 IIBD O=C1[C@H](Nc2cccc(COc3ccc4c(c3)OCO4)c2)CCN1c1cccc([N+](=O)[O-])c1 521336109 YADHQAUISRQLMN-OAQYLSRUSA-N 447.447 4.120 5 20 IIBD Cc1c(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)nnn1CC1CCCC1 521450314 SQCHHFIFPGKZGF-UHFFFAOYSA-N 447.293 4.088 5 20 IIBD COc1ccc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C(F)(F)F)c1 523262482 WRWWBZLVOVNKOA-UHFFFAOYSA-N 440.421 4.499 5 20 IIBD C[C@H](NC[C@@]1(N2CCOCC2)CCSC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 531695229 QAFIDXVWKLUMJM-KKSFZXQISA-N 433.599 4.182 5 20 IIBD O=C(Nc1cc(Br)cc(Cl)c1O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 534941577 RKEHCPXVFZZRBC-UHFFFAOYSA-N 437.637 4.154 5 20 IIBD CC(C)c1ccc2c(c1)[C@@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])CCC2 534967177 FNIFHSSOHDVQNA-SFHVURJKSA-N 427.526 4.103 5 20 IIBD Cc1ccc([C@@H](C)NCc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)cc1[N+](=O)[O-] 537178208 UUVPUMBDTWZQNW-CQSZACIVSA-N 431.539 4.281 5 20 IIBD COc1cc(F)c([C@@H](C)NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])cc1OC 537220019 MTOZBMUWMVDIFK-CYBMUJFWSA-N 425.416 4.304 5 20 IIBD Cc1nc(-c2cccs2)ccc1C(=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc12 538123078 DCUWWTYSGLNAEQ-UHFFFAOYSA-N 448.508 4.202 5 20 IIBD O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)c1 539638556 LACGJEUQMMVLLR-QZTJIDSGSA-N 428.432 4.369 5 20 IIBD O=C(Nc1ncc(C2CCCCC2)s1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 541103051 BIJFPKILWOVBRS-UHFFFAOYSA-N 449.558 4.150 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCCOc3c2ccc(Cl)c3Cl)cc1 541740351 LNKJUOIVSQVZIX-INIZCTEOSA-N 445.324 4.179 5 20 IIBD COc1cccc(NC2CCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 542361743 GYWTXGNNCQJNIC-UHFFFAOYSA-N 435.933 4.452 5 20 IIBD CCCNC(=O)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 542618627 LYFYJPBXIQNSRJ-QGZVFWFLSA-N 433.574 4.256 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCc3ccc4c(c3)C(=O)NCC4)c([N+](=O)[O-])c2)cc1 543483705 YGRNCOAIRHVUGF-UHFFFAOYSA-N 430.464 4.054 5 20 IIBD COCc1cccc(-c2noc(-c3ccc([N+](=O)[O-])cc3I)n2)c1 544157727 HDWJVQAUDNWNSA-UHFFFAOYSA-N 437.193 4.063 5 20 IIBD O=C(N[C@@H](Cc1nc(Cc2ccccc2[N+](=O)[O-])no1)c1ccccc1)c1ccccc1 544907596 YSRPWMKMGKRJIG-FQEVSTJZSA-N 428.448 4.282 5 20 IIBD CN(Cc1nc(Cc2ccc(OCc3ccccn3)cc2)no1)c1ccccc1[N+](=O)[O-] 544953467 JVTFUCNXSWRQIV-UHFFFAOYSA-N 431.452 4.179 5 20 IIBD Cc1nn(Cc2ccc(-c3nc(Cc4cc(F)cc(F)c4)no3)cc2)c(C)c1[N+](=O)[O-] 545586744 NJAZXKQFRXQCRG-UHFFFAOYSA-N 425.395 4.375 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 547372696 JWXNPQGFEUHHHL-UHFFFAOYSA-N 438.406 4.262 5 20 IIBD O=[N+]([O-])c1ccccc1-c1ccc(CNCCCS(=O)(=O)c2ccc(Cl)cc2)o1 550320277 WOLJGDUEQWATLQ-UHFFFAOYSA-N 434.901 4.462 5 20 IIBD COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc([N+](=O)[O-])c(OC)c2)c(OC)c1 552624385 GVDUTUPHOSPPIA-QFIPXVFZSA-N 435.436 4.392 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 555009842 XYFGGKILMQPHBT-HNNXBMFYSA-N 448.545 4.070 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC(Cc4ccccc4)CC3)n2C[C@@H]2CCOC2)c1 559236195 RVRBNGTVQHEHCJ-NRFANRHFSA-N 447.539 4.349 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 574119198 OSQROKHABCWCCF-BETUJISGSA-N 448.463 4.443 5 20 IIBD C[S@](=O)Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cc1 588088023 WGGNAMQRKCRRRP-LJAQVGFWSA-N 432.567 4.438 5 20 IIBD COc1ccc([C@H](Nc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)c2ccccc2Cl)cc1 600848368 FTZVWIFIFKIZBM-FQEVSTJZSA-N 447.900 4.106 5 20 IIBD O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 600881639 XYYQLSKSVVPGSG-QFIPXVFZSA-N 434.496 4.367 5 20 IIBD C[C@@H]1CN(Cc2ccccc2CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@@H](C)O1 603770107 UQCQXFXKLAZJRX-HZPDHXFCSA-N 439.537 4.349 5 20 IIBD CC(=O)Nc1ccc(-c2csc(NC(=O)CCOc3ccccc3[N+](=O)[O-])n2)c(F)c1 603952849 LHYREPZRURWWIY-UHFFFAOYSA-N 444.444 4.223 5 20 IIBD COc1ccc(CN2CC[C@@H](NCc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C2=O)cc1 609677592 NBDGAXAYENGEMB-OAQYLSRUSA-N 437.521 4.223 5 20 IIBD CCOC(=O)c1ccnc(Sc2nnc(-c3ccccc3F)n2C2CC2)c1[N+](=O)[O-] 609960996 RUWSVGILJIQHRC-UHFFFAOYSA-N 429.433 4.050 5 20 IIBD CC[C@H](C)[C@@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 609992893 BAPAMYRGDPEYCR-KKSFZXQISA-N 445.541 4.436 5 20 IIBD CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)c1 610010447 ZMZLOQKVUNXEEM-UHFFFAOYSA-N 427.438 4.435 5 20 IIBD COc1cc(C(=O)N[C@H](COc2ccccc2F)c2ccccc2)cc([N+](=O)[O-])c1OC 610171716 CSAYPJQVGQHCBV-GOSISDBHSA-N 440.427 4.301 5 20 IIBD Cc1ccc(-c2nc(C)c([C@H](C)N(C)S(=O)(=O)c3cccnc3[N+](=O)[O-])s2)cc1 610264778 YKXNONCABPGLGP-AWEZNQCLSA-N 432.527 4.112 5 20 IIBD C[C@H](c1nc2ccccc2s1)N1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 610512184 PYRDQWPMARJPFE-GFCCVEGCSA-N 448.346 4.245 5 20 IIBD CCOC(=O)CC[C@@H]1CCCN(C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 611042859 NEHBCOPHZWUSGQ-FHWLQOOXSA-N 445.560 4.273 5 20 IIBD COc1ccc(OC2CCN(C(=O)Cn3c4ccccc4c(=O)c4ccccc43)CC2)cc1 612637182 ZKKBDUNRKRFUSN-UHFFFAOYSA-N 442.515 4.233 5 20 IIBD CO[C@@]1(C(F)(F)F)CCCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 618702017 QUYOTYUTUYHACG-FQEVSTJZSA-N 438.402 4.357 5 20 IIBD O=C(O[C@H](C(=O)NCc1ccccc1)c1ccccc1)c1cc(F)c(F)cc1[N+](=O)[O-] 725938287 XRXYRSSCRYZWGV-FQEVSTJZSA-N 426.375 4.088 5 20 IIBD Cc1ccc2c(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4C(F)(F)F)CC3)c[nH]c2c1 727329471 ASAAGOHVYYLDTL-UHFFFAOYSA-N 446.429 4.295 5 20 IIBD O=C(Nc1nc(C2CC2)cs1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727472469 MIENLQLPDUYATE-UHFFFAOYSA-N 441.435 4.302 5 20 IIBD COC(=O)N(C)CCCC(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1OCc1ccccc1 729651250 HIBHKDVDWZHRBL-UHFFFAOYSA-N 435.864 4.244 5 20 IIBD O=C(C[C@@H]1C=CCC1)Nc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] 730435512 HBJNBGNQQIYCTC-CYBMUJFWSA-N 435.889 4.344 5 20 IIBD CCOC(=O)Nc1ccc(OC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 730754181 LAGXJATVHYGPLW-UHFFFAOYSA-N 438.440 4.244 5 20 IIBD O=C(COC(c1ccccc1)c1ccccc1)O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 731508194 NDVLHZSHMDIVMD-JOCHJYFZSA-N 446.459 4.050 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCc1cccc(OCC(F)(F)F)c1 731970323 BRLPIDBAHBCTSA-UHFFFAOYSA-N 440.346 4.144 5 20 IIBD CCS(=O)(=O)c1ccc(F)c(C(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)c1 732537280 IYQVMWSXTPALQO-UHFFFAOYSA-N 440.880 4.238 5 20 IIBD O=C(Nc1nc(/C=C\c2ccccc2)cs1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 735263234 OITZCONFRRSUCY-SREVYHEPSA-N 436.493 4.311 5 20 IIBD COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1 735999709 FZAJIGKIAIBLKU-KUHUBIRLSA-N 430.457 4.474 5 20 IIBD CNC(=O)c1cc(C)ccc1NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 741198619 HYBJZKFNZHWASA-UHFFFAOYSA-N 442.522 4.431 5 20 IIBD Cc1ccc(N2CCC[C@@H](NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)C2)cc1 742015530 BTKIPYDJJGGMIJ-HXUWFJFHSA-N 425.532 4.248 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(NC(=O)c2ccccc2)cc1 742624081 IEXQSGOEOAGDPW-UHFFFAOYSA-N 426.450 4.177 5 20 IIBD CCOc1cc(N2CCC(OC(=O)C[C@@H]3OCCc4ccccc43)CC2)ccc1[N+](=O)[O-] 744204499 OEHKIMQLAHNTRS-QFIPXVFZSA-N 440.496 4.210 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)[C@@H](C)CC(=O)c1cccc(Br)c1 745225800 JFODEMSWRDKAFZ-LBPRGKRZSA-N 436.258 4.318 5 20 IIBD Cc1c(C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 746581159 MQXZBPPOUIXNCM-UHFFFAOYSA-N 440.387 4.485 5 20 IIBD O=[N+]([O-])c1ccc(NC(=S)NCc2cc(Br)ccc2OC(F)F)cc1 749786193 ZOSKBQSOHFYJPA-UHFFFAOYSA-N 432.246 4.445 5 20 IIBD CC(C)(C)OC(=O)N(CC1CC1)C1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 751477584 AKWVPXYCPOIACG-UHFFFAOYSA-N 430.505 4.348 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)c1cccc(OC(F)F)c1 751685649 AZCXTPHZOFQINH-UHFFFAOYSA-N 448.147 4.138 5 20 IIBD Cc1cc(F)cc(C(=O)OCC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-] 752556468 ZYYANMLBBPRGRR-JTQLQIEISA-N 429.231 4.383 5 20 IIBD COCCN(C(=O)c1ccc(Cl)nc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 752731206 LPVKYXUDDYGOKD-UHFFFAOYSA-N 432.889 4.368 5 20 IIBD COC(=O)c1cc(NC(=O)NC[C@H](O)c2ccc(-c3ccccc3)cc2)c(C)c([N+](=O)[O-])c1 753127545 XNKWIFBRCWLMEH-QFIPXVFZSA-N 449.463 4.212 5 20 IIBD Cc1ccc(-c2nc(CCNC(=O)c3cc(F)cc([N+](=O)[O-])c3Br)co2)cc1 754637709 XKUNYIPNNSLYCK-UHFFFAOYSA-N 448.248 4.432 5 20 IIBD Cc1nc(COc2cccc(C(=O)O[C@@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)c2)cs1 759955573 XZQCQESPWJNSMM-RTBURBONSA-N 442.497 4.476 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc3nc(C4CC4)oc3c2)ccc1Br 760366057 RZLNOVLNMFLMCN-UHFFFAOYSA-N 438.259 4.177 5 20 IIBD Cc1nn(CC(F)F)c(C)c1C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 760817492 MRIFXPJAUGZTMX-UHFFFAOYSA-N 444.394 4.145 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(SC(F)F)nc1 762588503 IIDSUEVTUBRIKG-UHFFFAOYSA-N 443.453 4.212 5 20 IIBD O=C(Cc1ccc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)cc1)Nc1ccccc1F 763449679 GJHQXIOUQOAMOB-UHFFFAOYSA-N 429.354 4.446 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 765110272 IDSLNEIMMUPOSC-WZONZLPQSA-N 433.549 4.317 5 20 IIBD Cc1ccc(CN(C(C)C)S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)s1 765172139 SIVPFDDYXDIBGI-UHFFFAOYSA-N 433.349 4.327 5 20 IIBD CN(CC(=O)Nc1ccccc1C(F)(F)F)c1cc(Br)ccc1[N+](=O)[O-] 765452991 IIFPTAGTXKCSOH-UHFFFAOYSA-N 432.196 4.451 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 765529443 WWDBGYGFEQOJJQ-OAHLLOKOSA-N 425.397 4.470 5 20 IIBD COc1ccc2c(c1)CN(S(=O)(=O)c1csc([N+](=O)[O-])c1)[C@@H](c1ccccc1)C2 768847165 DPNSODLRVVKIPJ-LJQANCHMSA-N 430.507 4.153 5 20 IIBD O=C(OCCNC(=O)c1ccccc1C(F)(F)F)c1cc2cc([N+](=O)[O-])ccc2s1 769772637 ZPPRETZSRCLPGB-UHFFFAOYSA-N 438.383 4.415 5 20 IIBD CC[C@H](C)c1ccc(NC(=O)COC(=O)c2cc(Br)ncc2[N+](=O)[O-])cc1 769831541 HILNLHBRDZGJFH-NSHDSACASA-N 436.262 4.061 5 20 IIBD O=C(OCc1cc(F)ccc1Br)c1cc(Br)ncc1[N+](=O)[O-] 769838698 KJSKDKNLBXGGIJ-UHFFFAOYSA-N 434.015 4.011 5 20 IIBD CN(C[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1)C(=O)OC(C)(C)C 770008253 UJXVDIFKTRMQOJ-CYBMUJFWSA-N 426.901 4.359 5 20 IIBD O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCc1noc(C2CCCCC2)n1 773097774 YVYAEJOADAYUKC-UHFFFAOYSA-N 428.367 4.200 5 20 IIBD O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)[C@@H](O)Cc1cccc(C(F)(F)F)c1 773470995 RIUREVHATNHUAL-HNNXBMFYSA-N 448.191 4.023 5 20 IIBD Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)OC(=O)c1sc(Br)cc1[N+](=O)[O-] 773600483 VASFHYWDSXWFPR-MNOVXSKESA-N 441.303 4.150 5 20 IIBD O=C(COc1cccc(NC(=O)C2CC2)c1)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776134359 AWSCRMHKFYMQMA-QHCPKHFHSA-N 447.447 4.050 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc(CC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 778034265 LHZQFXZDPWOJNT-UHFFFAOYSA-N 433.892 4.497 5 20 IIBD O=C(c1cc([N+](=O)[O-])c2nsnc2c1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 778390268 MQWVXNAAOYGZJR-QMMMGPOBSA-N 443.432 4.095 5 20 IIBD COc1cccc(C(=O)c2ccc(C(=O)OCc3nc4cc([N+](=O)[O-])ccc4o3)cc2)c1 781244918 QSGAYGLGAMIHJT-UHFFFAOYSA-N 432.388 4.333 5 20 IIBD O=C(COC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)Nc1cccc(C(F)(F)F)c1 781259091 IXKZAPAKKFGLDY-UHFFFAOYSA-N 440.377 4.496 5 20 IIBD CCOC(=O)c1c(C)[nH]c2ccc(OC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc12 781770541 AFENFZBLAFARRC-UHFFFAOYSA-N 441.396 4.008 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 785785650 ADTPBJBXXAHYCY-UHFFFAOYSA-N 430.465 4.007 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H](C)Sc3ccccc32)c(C)c1[N+](=O)[O-] 790391428 KJUIIUKVDJXDOU-NSHDSACASA-N 437.499 4.199 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cnc(Br)c(Cl)c1 792606063 XGVPSUXEJFUJCK-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD COc1ccc([C@@H]2C[C@H]2NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 794147894 NXKHCJDCAFZIJY-QOEFQVSFSA-N 432.480 4.457 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N(CCO)Cc1cccnc1Cl 794320145 PLWVIPARYBXILK-UHFFFAOYSA-N 427.844 4.070 5 20 IIBD CC(C)(C)OC(=O)NC1(c2noc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)n2)CCC1 795732709 LHTHQOZYHHEHHD-UHFFFAOYSA-N 429.477 4.149 5 20 IIBD COc1cc([N+](=O)[O-])ccc1COC(=O)c1ccc(OCc2cscn2)c(OC)c1 797471845 ULAKUXATRIMOQN-UHFFFAOYSA-N 430.438 4.005 5 20 IIBD O=C(COC(=O)COc1cc(Cl)ccc1Cl)Nc1ccc([N+](=O)[O-])cc1Cl 798092242 QIOSKCZBVGCNIS-UHFFFAOYSA-N 433.631 4.116 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F 798543644 ZKPMRYTWEWLAAS-UHFFFAOYSA-N 436.461 4.101 5 20 IIBD O=C(NCC1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1)C(F)(F)F 798955988 BUZNMFCTDMFIHZ-UHFFFAOYSA-N 445.825 4.399 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 800377354 MDUJHJLXSVEAML-TUMWZFRQSA-N 437.496 4.127 5 20 IIBD CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN([C@@H](C)c2nc(-c3ccc(C)cc3)no2)CC1 804343277 ZXQSQPMMXZOHPB-INIZCTEOSA-N 435.484 4.039 5 20 IIBD CC(C)NC(=O)c1ccc(C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 811215993 HDCJPUKAEROHLU-UHFFFAOYSA-N 425.466 4.214 5 20 IIBD CC(C)NC(=S)/C(=C(/O)c1ccc([N+](=O)[O-])cc1)[n+]1cc(O)cc(-c2ccccc2)c1 811723425 CYVZLRWXTZWILS-UHFFFAOYSA-O 436.513 4.464 5 20 IIBD CC(C)(CCc1noc(-c2nn(-c3cccc(Br)c3)c3c2CCC3)n1)[N+](=O)[O-] 812813585 NGDLCLFWEMDBNS-UHFFFAOYSA-N 446.305 4.161 5 20 IIBD CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 813158542 VLEIFMKYEGNTCU-NSHDSACASA-N 434.823 4.297 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C(=O)c1ccccc1C(F)(F)F 814484347 RXXPLFQDGIUQOA-SNVBAGLBSA-N 428.338 4.247 5 20 IIBD COc1cc(C(=O)OC2CCN(C#N)CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 816252783 RTMRKSZTBWIBIS-UHFFFAOYSA-N 431.832 4.151 5 20 IIBD COc1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c(Cl)c1OC 817951019 IDGOBMZZAHLITC-UHFFFAOYSA-N 447.919 4.228 5 20 IIBD CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 846278922 VUKOAUBNFDLUGJ-UHFFFAOYSA-N 439.512 4.179 5 20 IIBD COc1ccc([N+](=O)[O-])cc1OC(=O)c1cnn(-c2ccc(Br)cc2)c1C 887884193 NENUORQEOOTRJI-UHFFFAOYSA-N 432.230 4.079 5 20 IIBD O=C(Nc1ccc(-n2nccn2)cc1C(F)(F)F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 916051096 LTHUAQZVSGVMFE-UHFFFAOYSA-N 446.389 4.047 5 20 IIBD CCCOc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 917742964 MDWLEXIHBNWUMN-LBPRGKRZSA-N 435.839 4.168 5 20 IIBD Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)on2)cc1 919099596 AAXFVBAYNCYYJK-LBPRGKRZSA-N 429.816 4.396 5 20 IIBD C[C@H](OC(=O)c1csc(Cc2ccc(Cl)cc2)n1)C(=O)Nc1cccc([N+](=O)[O-])c1 1115845925 CDQNRAAHXRZFAE-LBPRGKRZSA-N 445.884 4.480 5 20 IIBD C[C@H]1CCCCN1CCOc1ccccc1-c1nnc(COc2ccccc2[N+](=O)[O-])o1 1117215227 WFBNJDXKSBHFNT-KRWDZBQOSA-N 438.484 4.477 5 20 IIBD COc1ccc(NC(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])c1 1123372252 KBDVFRWKHCXBOZ-DJJJIMSYSA-N 436.871 4.210 5 20 IIBD O=C(OCc1ccccc1)[C@@H](CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 1320638542 SYXFEMHTSBEXLC-QHCPKHFHSA-N 445.475 4.147 5 20 IIBD C[C@@H]1CCCN(C(=O)CCNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 1321652822 FMIBADAFPGTVNQ-LJQANCHMSA-N 447.539 4.186 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCOC1 1330072087 ZEVGQRAUVKQSPE-KRWDZBQOSA-N 441.919 4.222 5 20 IIBD COCCn1c(Cc2ccccc2Cl)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 1340574714 RMWPFSIULANTSH-UHFFFAOYSA-N 441.919 4.246 5 20 IIBD CNC(=O)c1cccc(NCc2ccc([N+](=O)[O-])cc2Br)c1Br 1340948770 OBXCXTIOSPZZMK-UHFFFAOYSA-N 443.095 4.092 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1)c1cc(F)cc(F)c1 1790330852 PKUHWDCETSQIIO-UHFFFAOYSA-N 440.406 4.263 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@H]3CC3(F)F)CCC2)cc1)c1cccc(F)c1[N+](=O)[O-] 1790700923 BDAUAUNPMQGHAK-OAHLLOKOSA-N 433.386 4.137 5 20 IIBD Cc1c(C(=O)N2CC3(CCCN3C(=O)[C@@]3(C)CC=CCC3)C2)cc(Cl)cc1[N+](=O)[O-] 1846705986 GZAPKMVGPMMIAD-NRFANRHFSA-N 431.920 4.120 5 20 IIBD O=C(COC(=O)CSc1ccc([N+](=O)[O-])cc1)Nc1ccccc1Cc1ccccc1 9352178 PUWCIZKJUFQYOE-UHFFFAOYSA-N 436.489 4.460 5 20 IIBD C[C@@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 10531915 IJXMJFBDCBQHRQ-SSDOTTSWSA-N 432.647 4.321 5 20 IIBD COc1ccc(CNc2nnc(S[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])s2)cc1 16324422 BWWOCWALYIISGD-GFCCVEGCSA-N 445.526 4.186 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccccc1 16814224 LNPCDBADQVWXJZ-NRFANRHFSA-N 435.436 4.031 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)COc2ccccc2F)c2ccccc2)c([N+](=O)[O-])c1 20753319 BOZQWOQCLDCYQH-JOCHJYFZSA-N 438.411 4.344 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1N)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 22644520 GMKZFPPCSHVOEH-MRVPVSSYSA-N 431.754 4.033 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@@H](c3ccccc3)c3nccn3C)cc2[N+](=O)[O-])C1 23774023 GFEBELPBKIXETI-PNCHPQGNSA-N 447.539 4.330 5 20 IIBD C[C@@H](OC(=O)CSCc1cccc(Cl)c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 23882439 SSQBVNHFMAAPCI-LLVKDONJSA-N 426.853 4.191 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)Cc1csc(-c2ccccc2Cl)n1 26674466 ACAVGXSFOLYBLL-UHFFFAOYSA-N 445.884 4.405 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1nc(-c2cccs2)cs1 26768466 ZMHRWOGCNQYICD-UHFFFAOYSA-N 430.467 4.107 5 20 IIBD CCCCn1c(SCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])nc2ccccc2c1=O 28419031 QJVYVVVFTUHFSU-UHFFFAOYSA-N 446.916 4.489 5 20 IIBD C[C@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 28910671 BUPPRWOJENWJPT-LBPRGKRZSA-N 436.390 4.180 5 20 IIBD Cn1c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nnc1-c1ccccc1Cl 29810379 XVYHDDCDIDUFQW-UHFFFAOYSA-N 428.861 4.386 5 20 IIBD CCN(C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 32369573 XXIFYAGPJUWYCW-UHFFFAOYSA-N 425.466 4.062 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 64297590 AHVKOQWONGPTDQ-NRFANRHFSA-N 439.418 4.220 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccn1 64781097 SFZHXJUZMLGWBD-UHFFFAOYSA-N 444.451 4.170 5 20 IIBD COc1ccc(-c2n[nH]c(NC(=O)c3cc4ccccc4c4cccnc34)n2)c(OC)c1 72059771 VWVMTHLZNWQONK-UHFFFAOYSA-N 425.448 4.443 5 20 IIBD COc1ccc(NC(=O)c2ccc(NC(=O)COc3ccc([N+](=O)[O-])c(F)c3)cc2)cc1 109263361 OEDODRBXIJOWOE-UHFFFAOYSA-N 439.399 4.012 5 20 IIBD O=C(Nc1nc(-c2ccccc2OC(F)F)cs1)c1n[nH]c2ccc([N+](=O)[O-])cc12 111186164 VDTJFQXURHJUFK-UHFFFAOYSA-N 431.380 4.448 5 20 IIBD O=C(Nc1cccc(CSC2CCOCC2)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 217221114 DUXPNHYXDMZBDX-UHFFFAOYSA-N 438.509 4.445 5 20 IIBD COc1cc(CNCc2nc(C(F)(F)F)cs2)c([N+](=O)[O-])cc1OCC(F)(F)F 237132087 VBHHTDXGHUCVRG-UHFFFAOYSA-N 445.341 4.310 5 20 IIBD COc1ccccc1[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1noc(C)n1 237289971 OWZWDJVEBIHPCH-IBGZPJMESA-N 437.481 4.298 5 20 IIBD Cc1cc(S(=O)(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)ccc1[N+](=O)[O-] 261477202 LDEYPSYDKLCICP-UHFFFAOYSA-N 436.383 4.121 5 20 IIBD Cc1cc(NCc2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)c2cc([N+](=O)[O-])ccc2n1 302211876 YRSKJUFCVPHDNM-CALCHBBNSA-N 434.496 4.313 5 20 IIBD CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 303153974 ODQFZWRTRLBQNA-INIZCTEOSA-N 429.496 4.067 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCCc2ccc(O)cc2)cc1[N+](=O)[O-] 409924627 ULJNGUGEGPADKO-UHFFFAOYSA-N 436.489 4.226 5 20 IIBD COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F 426277920 LNUBDEOFBQGXBF-LBPRGKRZSA-N 442.365 4.058 5 20 IIBD O=C(O)[C@@H](CN1CCCCC1)NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 426745737 VTPVEUKXTIJNKX-GOSISDBHSA-N 433.892 4.069 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1nc(-c2cc(C)ccn2)n[nH]1 428378478 XADDADHQMGJSFY-CYBMUJFWSA-N 426.502 4.076 5 20 IIBD CC[C@]1(CO)CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C1 428525573 ODSYFIMUUADLTQ-QFIPXVFZSA-N 431.920 4.485 5 20 IIBD Cc1cc(OCC(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)ccc1[N+](=O)[O-] 430810528 MDHRCIUCKSZTQP-UHFFFAOYSA-N 444.316 4.451 5 20 IIBD Cc1c(NC(=O)NCc2cccc(-n3ccnc3)c2)cc(Br)cc1[N+](=O)[O-] 435328516 LHZXUGSISAWABL-UHFFFAOYSA-N 430.262 4.173 5 20 IIBD CCCS(=O)(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1C 437297897 BKXZIYLOISCAJY-UHFFFAOYSA-N 445.419 4.326 5 20 IIBD CC[C@@H](CNC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)Oc1ccccc1C(F)(F)F 440085259 AUYJCFYHQJZLQU-ZDUSSCGKSA-N 449.385 4.455 5 20 IIBD O=C(NCc1cccc(N2CCC2=O)c1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 441626915 RYKSRHNBHBLAES-UHFFFAOYSA-N 432.436 4.446 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c([N+](=O)[O-])c1 443638090 HUWUYQWFOCXRRM-UONOGXRCSA-N 442.447 4.090 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCC[C@H](c2noc(C3CC3)n2)C1 444098033 DVTQXOGVJSOLBS-AWEZNQCLSA-N 432.455 4.101 5 20 IIBD O=C(NCCc1nc(C(F)(F)F)cs1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444110887 HUVODBFIHWEWSS-UHFFFAOYSA-N 435.402 4.268 5 20 IIBD CCOC(=O)[C@@H](Cc1ccccc1Cl)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 446330328 IMIVCCMNFAPYDK-OAQYLSRUSA-N 448.906 4.239 5 20 IIBD CCC[C@H](CCCS(C)(=O)=O)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 448199269 UWTDZKOGFYULMD-CQSZACIVSA-N 439.559 4.206 5 20 IIBD CN(CCOc1ccccc1Cl)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 462452808 ASIFNWUZUNYVIK-UHFFFAOYSA-N 439.704 4.255 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1cc(Cl)ccc1OCC1CCC1 466820094 WZBLGWGRXJFLOB-UHFFFAOYSA-N 431.876 4.024 5 20 IIBD CC[C@H]1CN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 470004598 SPGYPJVNRWPIKT-RDJZCZTQSA-N 429.904 4.020 5 20 IIBD CN(C)CC1CCN(c2ccccc2NC(=O)CSc2ccccc2[N+](=O)[O-])CC1 471223307 PYEFAMIRNFUSDV-UHFFFAOYSA-N 428.558 4.104 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccccc3OCC(F)F)cc2)c(C)c1[N+](=O)[O-] 475398930 HGCGEQKYBOETOB-UHFFFAOYSA-N 430.411 4.353 5 20 IIBD CC(C)C[C@@]1(CO)CCCN1C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 476467837 OZYFDVRCJAQMAC-GAJHUEQPSA-N 426.517 4.176 5 20 IIBD COc1cccc(F)c1NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 478660568 WNAOSUFMDIGRMR-UHFFFAOYSA-N 425.203 4.487 5 20 IIBD CCOc1cc(NC(=O)NCc2csc(-c3ccco3)n2)c([N+](=O)[O-])cc1OCC 478929482 SCWNOYWWONDDGE-UHFFFAOYSA-N 432.458 4.430 5 20 IIBD COc1cc(C(=O)Nc2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)cc([N+](=O)[O-])c1C 479819451 QDADARALIGHBMH-AWEZNQCLSA-N 425.485 4.345 5 20 IIBD CCc1ccc(-c2noc([C@H](C)NCc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)n2)cc1 483664331 BYTATRHAELWWCD-HNNXBMFYSA-N 432.484 4.459 5 20 IIBD C[C@@H]1CN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c2ccccc2NC1=O 485531498 LCJXAFXLZOHCDK-MRXNPFEDSA-N 431.448 4.409 5 20 IIBD Cc1ccc([C@H](C)NC(=O)c2ccc(S(=O)(=O)Cc3ccccc3)cc2)cc1[N+](=O)[O-] 488076933 NYQVVODDQOQXMM-KRWDZBQOSA-N 438.505 4.368 5 20 IIBD CC(C)c1ccc(Cn2nccc2NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 488573514 OKFCRHXDVNDTQL-UHFFFAOYSA-N 437.504 4.029 5 20 IIBD Cc1cc(NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)ccc1Oc1ccncc1 489373398 MPVNKQXVWKNKRZ-UHFFFAOYSA-N 430.424 4.232 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 490006478 AUKMXBQXEYJPDS-IEBWSBKVSA-N 443.569 4.116 5 20 IIBD O=C(c1ccc(=O)n(Cc2ccccc2Cl)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 493235141 HJYIOTJTALVWAD-UHFFFAOYSA-N 437.883 4.263 5 20 IIBD COc1ccc(CSCC(=O)N[C@H](c2cccc(C)c2)c2ccccn2)cc1[N+](=O)[O-] 498621576 NRNGIPGLYGHMOR-HSZRJFAPSA-N 437.521 4.446 5 20 IIBD COC(=O)[C@@H](CNC(=O)c1cc(SC)ccc1[N+](=O)[O-])Cc1ccc2ccccc2c1 498624703 UGCCDPAHOZFXQH-GOSISDBHSA-N 438.505 4.232 5 20 IIBD O=C(c1ccc(NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1)N1CCc2ccccc21 498650833 AYOJVYNPCUNUTF-UHFFFAOYSA-N 441.447 4.460 5 20 IIBD CC(C)(C)c1ccc(C2(CNC(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)CCC2)cc1 499512132 NZTKDLWUEDXAQK-UHFFFAOYSA-N 437.496 4.038 5 20 IIBD Cc1ccc(C[C@@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 500135341 GIFTZWHKLKMBRC-INIZCTEOSA-N 439.331 4.062 5 20 IIBD COc1ccc(CNCc2ccc(I)c(Cl)c2)cc1[N+](=O)[O-] 500442389 UPNJIRLSSXAOBC-UHFFFAOYSA-N 432.645 4.151 5 20 IIBD O=C(c1ccc(Cl)cc1)C1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 502239385 SSTFCINQSUXHGO-UHFFFAOYSA-N 425.872 4.324 5 20 IIBD Cc1ccc(NC(=O)[C@@H](SCc2cccc(C(N)=O)n2)c2ccccc2)c([N+](=O)[O-])c1 502779796 ZISCNZGVVYEANG-FQEVSTJZSA-N 436.493 4.010 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 502817098 UXLKPVDQUQEGJB-UHFFFAOYSA-N 445.516 4.271 5 20 IIBD COc1cc(CN(C)Cc2nccn2C(F)F)c([N+](=O)[O-])cc1OCc1ccccc1 507103976 PEOUBOYPTPMNSO-UHFFFAOYSA-N 432.427 4.406 5 20 IIBD COc1ccc(Br)cc1[C@H]1CCCN1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] 507198337 VRNATWBYUZUXJY-MRXNPFEDSA-N 448.317 4.450 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CCOC[C@H]2c2nc3ccccc3s2)cc1[N+](=O)[O-] 507588028 SXGQCUQWWSANDO-KDOFPFPSSA-N 426.498 4.357 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C)c1ccc(Oc2cccnc2)cc1 511724824 ZMXXPIWXBIAOGB-INIZCTEOSA-N 434.452 4.215 5 20 IIBD Cn1cc(C(=O)N2CC[C@@](F)(c3cccc(Cl)c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 512391888 HULXPAPHTMAWNM-NRFANRHFSA-N 428.851 4.360 5 20 IIBD CN(c1ccccc1)c1ccc(CNCc2ccc(CS(C)(=O)=O)cc2)cc1[N+](=O)[O-] 513633575 ZNSSZQBTYVNDDN-UHFFFAOYSA-N 439.537 4.197 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@H](C)c3nnc(C)s3)c([N+](=O)[O-])c2)c(C)c1 515479503 QVJCNKNGMYKPEX-CYBMUJFWSA-N 447.542 4.345 5 20 IIBD CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)NCc1ccc([N+](=O)[O-])cc1 515776430 HOGQIBCLYJZTCQ-UHFFFAOYSA-N 425.272 4.072 5 20 IIBD CCOc1cc(NC(=O)C(=O)N(C)[C@@H](C)c2cccc(Cl)c2)c([N+](=O)[O-])cc1OCC 516023139 ITCBRQMZCAYQDG-ZDUSSCGKSA-N 449.891 4.204 5 20 IIBD O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 517440668 ZGKIUAKRMPHQMV-QGZVFWFLSA-N 437.258 4.337 5 20 IIBD Cc1ccc(F)c2c1N(C(=O)c1ccc([N+](=O)[O-])cc1I)CCC2 517511197 QQPZQTNTDSAYCQ-UHFFFAOYSA-N 440.212 4.240 5 20 IIBD O=C(NCCOc1ccc2cc(Br)ccc2c1)c1ccc([N+](=O)[O-])c(O)c1 517939874 AGNIYWCQFZOKFY-UHFFFAOYSA-N 431.242 4.025 5 20 IIBD CCOCCCN1CC[C@H](Nc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])[C@@H](C)C1 520449308 CSSIWTXHBKKVIO-RXVVDRJESA-N 425.529 4.375 5 20 IIBD O=C(NCCc1nc(C2CCCCC2)cs1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 521054379 ZABBQJZYLYERHO-UHFFFAOYSA-N 425.514 4.257 5 20 IIBD CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 522671012 PVQPTGYYMYOYQL-UHFFFAOYSA-N 448.248 4.413 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(OCCN3CCCC3)c(C)c2)c([N+](=O)[O-])cc1OC 522902737 FQBPXOSBOHLPGE-UHFFFAOYSA-N 443.500 4.037 5 20 IIBD COc1cc(F)cc2sc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])nc12 524647348 UUCIRJIKVBFRLR-MRVPVSSYSA-N 425.825 4.412 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N[C@H](CCCO)c1ccccc1 525359093 QFSWRDFBPNFGNB-HXUWFJFHSA-N 447.557 4.085 5 20 IIBD COc1ccc(CN[C@H]2CCO[C@]3(CCSC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 533187264 JLSCPEZWVVQFCS-WMZHIEFXSA-N 444.553 4.327 5 20 IIBD CN(C(=O)CSc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1O)C1CCCCC1 534790162 YMHBFKKASSKQRF-UHFFFAOYSA-N 443.525 4.436 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1cccc2c1CN(c1nccs1)C2 535499175 MKZIDUFRFZFOBL-UHFFFAOYSA-N 447.476 4.137 5 20 IIBD COc1ccc(CN2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1OCc1ccc([N+](=O)[O-])cc1 537631845 ZJQXUIXDCVPGEZ-FXAWDEMLSA-N 440.418 4.070 5 20 IIBD C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c2ccccc2S1 539232929 MJUPBJQJVMFLLR-NSHDSACASA-N 443.344 4.437 5 20 IIBD CC(C)CN(C(=O)CSc1nncs1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 539355734 PAQRMIIWUCMFOI-UHFFFAOYSA-N 435.556 4.351 5 20 IIBD C[C@H](NC(=O)Nc1ccc2c(c1)N(C(=O)C(C)(C)C)CCO2)c1ccccc1[N+](=O)[O-] 540404973 UJQCHVOBIKRKJG-AWEZNQCLSA-N 426.473 4.249 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCC[C@H]2CCO[C@@H](C)C2)c([N+](=O)[O-])c1 541352406 XGBXYMMDQPJDKL-HOTGVXAUSA-N 426.469 4.230 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 541687737 LUWGGPGVHOXXOX-NSHDSACASA-N 433.262 4.267 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(Sc3ncccn3)cc2C)c1 541800897 WXRNRGDPXKGBNU-UHFFFAOYSA-N 430.511 4.262 5 20 IIBD CCOC(=O)c1cnn(-c2cccc(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)c2)c1C 542535436 PGVJTIRVLGZQKY-ZDUSSCGKSA-N 440.431 4.147 5 20 IIBD COc1ccc(-c2nc(C)c([C@H](C)NC[C@@H](O)COc3ccccc3[N+](=O)[O-])s2)cc1 542567475 AGWZXSZKXVETMO-WMLDXEAASA-N 443.525 4.126 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 543458533 BPCWCFGPYCYEBB-JQWIXIFHSA-N 438.410 4.432 5 20 IIBD COc1cccc(C2(F)CCN(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 544354452 BJMRJOLCMBYFLS-UHFFFAOYSA-N 435.883 4.470 5 20 IIBD Cc1ccccc1C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 544671137 KUTKGEJJJGJPCZ-UHFFFAOYSA-N 439.331 4.234 5 20 IIBD Cc1cc(=O)c(-c2nc(-c3ccccc3C(F)(F)F)no2)nn1-c1ccccc1[N+](=O)[O-] 545526777 OMFRFQPYTTVPSZ-UHFFFAOYSA-N 443.341 4.185 5 20 IIBD Cc1c(Cc2noc(C3CCN(C(=O)CCc4ccccc4)CC3)n2)cccc1[N+](=O)[O-] 547200634 PBMBQBIFWVPJHF-UHFFFAOYSA-N 434.496 4.216 5 20 IIBD CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 550316174 CIGUYUHIQUHQSZ-NVXWUHKLSA-N 436.434 4.290 5 20 IIBD CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 551711149 JZHKUADBGQCBPV-LJQANCHMSA-N 437.500 4.221 5 20 IIBD Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC(=O)c1c[nH]nc1[N+](=O)[O-] 554888155 ISHCKEJVXGOYTD-QMMMGPOBSA-N 436.291 4.003 5 20 IIBD CC(C)(C)OC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCCO2)CC1 555481603 LLLDODJRIMZNMH-FQEVSTJZSA-N 443.548 4.206 5 20 IIBD O=[N+]([O-])c1cc2c(Nc3ccc(CN4CCN(c5ccccn5)CC4)cc3)ncnc2s1 557539319 WIFQURKJWZVQDX-UHFFFAOYSA-N 447.524 4.060 5 20 IIBD Cc1c(-c2nc(-c3n[nH]c(-c4cccc(Br)c4)n3)no2)cccc1[N+](=O)[O-] 559988055 USCRPGDOWHDJSN-UHFFFAOYSA-N 427.218 4.168 5 20 IIBD O=c1ccn(Cc2nc(C3(c4cc(Cl)ccc4Cl)CCCC3)no2)cc1[N+](=O)[O-] 569855551 FJHTYXSLTGJPGF-UHFFFAOYSA-N 435.267 4.355 5 20 IIBD Cc1ccc(CN2CC[C@@H](CN(C)C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C2)s1 570700004 CZTLFYIWTYVLKG-SFHVURJKSA-N 442.585 4.159 5 20 IIBD CC(=O)NCc1ccc(-c2csc(NC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)n2)s1 571498319 XAOXRPDVYDSSEG-NSHDSACASA-N 430.511 4.158 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N2CCC(CC(F)(F)F)CC2)cc1[N+](=O)[O-] 576247494 ZHLGZSFSPKHPSL-UHFFFAOYSA-N 445.257 4.019 5 20 IIBD C[C@@H]1CN([C@@H](CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c2c(F)cccc2Cl)CCO1 583299775 PFGSFPLORBJRGM-SXGZJXTBSA-N 449.910 4.069 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1c(O)n[nH]c1-c1ccccc1 590399064 DYBJOOJKPUADND-UHFFFAOYSA-N 435.362 4.150 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)cc1OC 603598698 SRLIZHJMJKMMQC-UHFFFAOYSA-N 427.379 4.339 5 20 IIBD O=C(NC1CCCCC1)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1Cl 603987016 HGYGIJJNYMGZPM-UHFFFAOYSA-N 437.905 4.112 5 20 IIBD C[C@@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 604299652 MJIZHDBEPRAWLA-ZIAGYGMSSA-N 431.455 4.022 5 20 IIBD CCOc1ccc(NC(=O)CN(C)C[C@@H]2CCCO[C@H]2c2ccccc2)c([N+](=O)[O-])c1 604521716 VUZSIFLISNUUKX-MBSDFSHPSA-N 427.501 4.032 5 20 IIBD Cc1cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n(-c2cccc(C(F)(F)F)c2)n1 608927826 IWEXJJBSHXXOIN-UHFFFAOYSA-N 440.403 4.217 5 20 IIBD Cc1nc(-c2ccc([C@H](C)NC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)cc2)cs1 608934508 CRCKWMAYHPJPDD-LBPRGKRZSA-N 425.466 4.289 5 20 IIBD Cc1cc(Br)cc2c1N(C(=O)c1ccc(-n3ccnc3)c([N+](=O)[O-])c1)CCC2 609102167 FGENYOKCTDZRNZ-UHFFFAOYSA-N 441.285 4.444 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCc2[nH]c3ccc(Br)cc3c2C1 609196971 IMQXHHOWJVSFOB-LBPRGKRZSA-N 443.301 4.224 5 20 IIBD Cc1c(C[S@](C)=O)cccc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 609727892 NVSNMLPKZZDVJX-PMERELPUSA-N 429.542 4.270 5 20 IIBD O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1[N+](=O)[O-] 609839286 JTCSLMBHMLWGEB-UHFFFAOYSA-N 438.311 4.175 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)NCCc1ccccc1[N+](=O)[O-] 610353680 AIVYKEFVSNUBHR-UHFFFAOYSA-N 426.448 4.206 5 20 IIBD COc1ccc2c(c1)OCCN(C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)C2 619819554 BGHURJBRJMPCRM-UHFFFAOYSA-N 433.464 4.250 5 20 IIBD Cc1cc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 725793342 XOSGHJRHWYZAGL-GOSISDBHSA-N 427.505 4.196 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 727395179 IENHCSWCEYPIMH-QGZVFWFLSA-N 429.231 4.020 5 20 IIBD Cc1nc(-c2ccccc2)[nH]c1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 728727075 IECLGZBOGRRYGO-LBPRGKRZSA-N 428.832 4.131 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H](Cc2ccccc2)C1 730018703 WIAVARIYIREJTL-HNNXBMFYSA-N 439.331 4.001 5 20 IIBD CC(C)COc1ccc(C(C)(C)C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 730877972 OJRCVYCMUYTPNX-UHFFFAOYSA-N 432.448 4.228 5 20 IIBD Cc1c(C(=O)NCCCc2cccc(Br)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 731177416 KEGLILXCXIQRNW-UHFFFAOYSA-N 436.262 4.245 5 20 IIBD CC(C)(C)OC(=O)NCC1(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCCC1 732130113 CHYSKOHKABYQAK-UHFFFAOYSA-N 446.529 4.286 5 20 IIBD COC(=O)c1cc(C(=O)O[C@@H](Cc2ccc(Cl)cc2)C(F)(F)F)cc([N+](=O)[O-])c1 733946495 ACWLZGMKMHVBJV-HNNXBMFYSA-N 431.750 4.365 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1 735646476 XGFJITSJMCWMLC-FPLPWBNLSA-N 428.872 4.414 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 735904470 OKJBXBZEQMJXCX-KRWDZBQOSA-N 434.876 4.427 5 20 IIBD COc1ccc(COC(=O)c2ccc([N+](=O)[O-])cc2Br)c(OC(F)F)c1 739568757 ADNNOYZBLLUYSV-UHFFFAOYSA-N 432.173 4.324 5 20 IIBD C[C@@H]1C[C@@H](c2cccc(F)c2)N(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 742322593 USGNXDDORVBCCH-BZNIZROVSA-N 443.294 4.268 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1cccc(CC(F)(F)F)c1 743265692 UGKDEGYFGITLRN-UHFFFAOYSA-N 439.209 4.263 5 20 IIBD C[C@@H](OC(=O)C1(c2ccc(Br)cc2)CCC1)C(=O)Nc1ccccc1[N+](=O)[O-] 744775726 BTAVEJJHVXCGPF-CYBMUJFWSA-N 447.285 4.349 5 20 IIBD C[C@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 745072232 QKJHNNRTJQGPGK-NSHDSACASA-N 435.820 4.004 5 20 IIBD CCCCCCNC(=O)[C@@H]1CCCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 748318198 NIVIAEHPOYCIBR-FUHWJXTLSA-N 429.521 4.114 5 20 IIBD Cc1c(C(=O)O[C@@H](C)C(=O)Nc2cc(Cl)ccc2F)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748949280 FVLLFDIBNAHXNA-JTQLQIEISA-N 439.783 4.096 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)OCc2ccnc(-c3ccc(Br)cc3)n2)c1 750027458 JHRNYHJKXJSBDD-UHFFFAOYSA-N 444.241 4.180 5 20 IIBD COc1cc(C2(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CCC2)ccc1C 750176323 QEXLRMMEKAOWCR-UHFFFAOYSA-N 432.860 4.169 5 20 IIBD Cc1ccccc1Cc1noc(COC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n1 750883885 KVNWQEPMFRWUAM-CYBMUJFWSA-N 431.832 4.041 5 20 IIBD CN(CC(C)(C)C)C(=O)c1cccc(C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)c1 751669120 UYIRPGJLBIMLNR-UHFFFAOYSA-N 425.441 4.211 5 20 IIBD CCc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F 751690209 HBOXPFGCWDMMRJ-SNVBAGLBSA-N 439.237 4.243 5 20 IIBD CCc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 753433986 RKBVBJLYVPFYAR-GFCCVEGCSA-N 435.274 4.412 5 20 IIBD CN(C)CCOc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2Br)cc1Cl 753825486 JBRZAPCBKXMUDL-UHFFFAOYSA-N 442.697 4.203 5 20 IIBD COc1ccccc1C[C@H](C)N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br 755011807 LAABHBXDCRAZMC-NSHDSACASA-N 425.254 4.208 5 20 IIBD CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 758279620 AKSHZHUNEUSTEG-KRWDZBQOSA-N 440.374 4.090 5 20 IIBD COC(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2Br)cc(Cl)c1F 759341893 ODGHOXAGHWLKQK-UHFFFAOYSA-N 431.601 4.189 5 20 IIBD Cc1c(Cc2noc([C@H]3CC34CCN(C(=O)OC(C)(C)C)CC4)n2)cccc1[N+](=O)[O-] 762318885 ICRWKDUJDVVBKX-MRXNPFEDSA-N 428.489 4.382 5 20 IIBD COC(=O)c1ccc(OC(=O)c2oc3ccc(CCC(C)=O)cc3c2C)cc1[N+](=O)[O-] 763704707 HWYFPCUVUZFJQD-UHFFFAOYSA-N 425.393 4.177 5 20 IIBD Cc1cccc(C(C)C)c1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1SCCO 763745903 YIBWGQKXIOSHCR-HNNXBMFYSA-N 446.525 4.295 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)Nc1ccc(C)cc1C 763808940 CPHYQMCAJFFZCI-HNNXBMFYSA-N 432.498 4.134 5 20 IIBD O=C(Nc1cc2c(cc1Br)OCCO2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 763912831 USYUSAALHFQDQJ-UHFFFAOYSA-N 448.273 4.325 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2cccnc2Cl)nnc1-c1ccc([N+](=O)[O-])cc1 768412263 OTOOQJHEMLPOAZ-NSHDSACASA-N 432.893 4.041 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCO[C@H](c2ccccc2Br)C1 769747838 ZNCJDQQCKSGFIJ-KRWDZBQOSA-N 433.302 4.496 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)OCC(=O)Nc1cc2c(cc1Cl)OCCCO2 769886664 FZBZPGUCDCDQMW-UHFFFAOYSA-N 448.859 4.130 5 20 IIBD CCSCc1cc(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)no1 771231480 NXDSARDMNWFURL-MRXNPFEDSA-N 447.513 4.078 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(CCC3CCN(C(=O)OC(C)(C)C)CC3)n2)c1 771390263 KEJAUWAGZSMUKR-UHFFFAOYSA-N 446.504 4.157 5 20 IIBD O=C(CCCc1nc(O)c2ccccc2n1)OCc1ccc(Br)c([N+](=O)[O-])c1 773382602 QUZGMKBQJWJCMM-UHFFFAOYSA-N 446.257 4.072 5 20 IIBD Cc1cc(C)cc(NC(=O)[C@@H](C)OC(=O)c2sc(Br)cc2[N+](=O)[O-])c1 773601779 YSFQPBVLVIFNBF-SNVBAGLBSA-N 427.276 4.220 5 20 IIBD C[C@H](CCOC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1c[nH]c2ccccc12 774564242 QXWJXMKWLQXIHO-CYBMUJFWSA-N 427.482 4.004 5 20 IIBD O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 776586733 HQVSNPFJZSYFCS-OALUTQOASA-N 438.311 4.428 5 20 IIBD C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(OCc2noc(C3CC3)n2)cc1 777688678 OCERGTFXBUJVDU-CQSZACIVSA-N 437.456 4.263 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])O[C@H]([C@@H]1CCOC1)C(F)(F)F 778033477 YVCBIXZIIJXRJO-AMIZOPFISA-N 433.326 4.216 5 20 IIBD CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)O[C@@H](C)c1cc([N+](=O)[O-])ccc1C 778762205 XHSAVKWFWZHCQV-JXFKEZNVSA-N 430.526 4.368 5 20 IIBD O=[N+]([O-])c1cc(CN2CCC(O)(c3c(F)cccc3F)CC2)ccc1Br 779198602 JXACYTWORZOWON-UHFFFAOYSA-N 427.245 4.119 5 20 IIBD C[C@H](OC(=O)[C@H](c1c(F)cccc1Cl)N(C)C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 780111333 YUKPDPONRRNBIT-GTNSWQLSSA-N 448.838 4.344 5 20 IIBD Cc1cc(COC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)ccc1[N+](=O)[O-] 781170131 FYJQOEZBHKDMEH-UHFFFAOYSA-N 429.432 4.018 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CSc2nnc(-c3ccoc3C)n2N)cc1OC 781599348 HLWHTLVMAJEVHD-GFCCVEGCSA-N 447.517 4.194 5 20 IIBD CC1CCN(c2ccc(C(=O)O[C@@H](C)C(=O)Nc3ccc(Cl)cn3)cc2[N+](=O)[O-])CC1 783302213 MUIBSCWBXNPCHG-AWEZNQCLSA-N 446.891 4.064 5 20 IIBD O=C(/C(=C/c1ccc(F)cc1)c1cccs1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 785595718 SGUUSVQHWNASSX-NBVRZTHBSA-N 426.473 4.396 5 20 IIBD COCC1(CNC/C(C)=C/c2cccc([N+](=O)[O-])c2)CCN(C(=O)OC(C)(C)C)CC1 790653036 WTICRBFGOCOGCL-QGOAFFKASA-N 433.549 4.251 5 20 IIBD CCC[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H](O)c1ccccc1 792195877 SLWCLURACPYAPN-MSOLQXFVSA-N 425.407 4.315 5 20 IIBD O=C(COC(=O)CCc1cccc(Cl)c1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 792756823 SMXZOMKJYLEINO-UHFFFAOYSA-N 430.766 4.382 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)O[C@@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 795710565 WNLGXXGUEVRCMW-INIZCTEOSA-N 441.484 4.168 5 20 IIBD Cc1[nH]c(C=O)cc1C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 801411238 WIAJZRFJLQPFSN-LJQANCHMSA-N 441.827 4.234 5 20 IIBD Cc1c(NC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])cnn1C1CCCC1 803219013 KVHFKTSOPXBBND-UHFFFAOYSA-N 436.310 4.052 5 20 IIBD O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 804555118 LZQAJUMRNGVNAJ-UHFFFAOYSA-N 446.416 4.055 5 20 IIBD COc1ccc(CNC(=O)N(Cc2ccccc2)C[C@H](O)c2ccccc2)cc1[N+](=O)[O-] 806497809 TYOXIMXGHBBETB-QFIPXVFZSA-N 435.480 4.049 5 20 IIBD CC1(C)CN(CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)[C@H]1c1cccs1 808222754 HVYVBUKYGJVGMV-INIZCTEOSA-N 436.331 4.415 5 20 IIBD CC(=O)c1cc(Br)ccc1OCC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 808358542 POGWDUBFLGKMQZ-UHFFFAOYSA-N 427.638 4.231 5 20 IIBD CC(=O)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811374351 GQHQFBURWURRGV-SNVBAGLBSA-N 425.224 4.288 5 20 IIBD CCOc1ccc([C@@H](O)C2CCN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1 812865513 FTBYEXFCMVKBCN-JOCHJYFZSA-N 447.919 4.031 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] 813670872 YJKSTPBEVAQDFP-JQHSSLGASA-N 432.521 4.005 5 20 IIBD O=C(COC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 846723984 PKIWFAVURUYTLB-UHFFFAOYSA-N 435.392 4.155 5 20 IIBD CC(=O)Nc1cccc(NC(=O)[C@H](OC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C(C)C)c1 877196859 LJXVNZVFXBFVPN-GOSISDBHSA-N 433.848 4.027 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)O[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)c1 915439970 NXANWUCORKIIAE-AWEZNQCLSA-N 429.404 4.474 5 20 IIBD C[C@H](OC(=O)CCOc1cccc([N+](=O)[O-])c1)C(=O)N(c1nccs1)C1CCCCC1 915447646 CRWDMTJCFPUEEU-HNNXBMFYSA-N 447.513 4.118 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@@H](c1ccc(C(C)C)cc1)C(C)C 915663903 VGAJKLOTDXEQSX-HSZRJFAPSA-N 428.485 4.432 5 20 IIBD COc1cc(C(=O)Nc2ccc(N(C)C(C)C)c(F)c2)c([N+](=O)[O-])cc1OC(F)F 916433298 MBSIOTMVXMTTOS-UHFFFAOYSA-N 427.379 4.441 5 20 IIBD O=C(Nc1ccccc1)c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 917843107 OMGWDEJGLFYFMP-UHFFFAOYSA-N 432.841 4.268 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 917944031 VUAKTOVOEPCJNC-UHFFFAOYSA-N 436.399 4.418 5 20 IIBD C[C@H](OC(=O)Cc1cn(C)c2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 920706447 ADNVJCKBZUSRPR-LBPRGKRZSA-N 449.385 4.218 5 20 IIBD CCOc1cc(C(=O)O[C@H](C(=O)NC2CCCCCC2)C(C)C)c([N+](=O)[O-])cc1OC 926492885 IIGWUUIHANLZAX-FQEVSTJZSA-N 436.505 4.023 5 20 IIBD Cc1ccc(-n2ncc(C(=O)N3CCN(Cc4cccc([N+](=O)[O-])c4)CC3)c2C(C)C)cc1 1318130699 RHCUBTIMJXCLSC-UHFFFAOYSA-N 447.539 4.170 5 20 IIBD CCS(=O)(=O)c1cccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c1 1318928408 HTZRGWYVPNPESC-HOTGVXAUSA-N 445.541 4.123 5 20 IIBD CN(Cc1ccc([N+](=O)[O-])cc1Br)[C@@H](c1cccc(F)c1)c1cnn(C)c1 1338311547 JPFAANYFKWOFRQ-IBGZPJMESA-N 433.281 4.451 5 20 IIBD Nc1c(C(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)cc(Br)cc1[N+](=O)[O-] 1340049640 DYTZMACDJGUKAB-CQSZACIVSA-N 426.217 4.195 5 20 IIBD O=C(c1ccccc1)N1CCC[C@H](Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 1341730817 YYJQSEWVADVEPY-AWEZNQCLSA-N 438.362 4.239 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC1(c2ccc(NC(=O)C3(C)CC3)cc2)CCC1 1787601460 KBOWLUWRWUATRB-UHFFFAOYSA-N 436.512 4.209 5 20 IIBD CCC[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(O)c([N+](=O)[O-])c2)C3)CC1 1801815666 UDPJXLQBNMCALJ-FWIIZBITSA-N 443.544 4.159 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 1804344080 NPTYNAINZWAAPP-NBWRFPAISA-N 439.899 4.213 5 20 IIBD CCCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3C)sc2C1 1823703741 RFLINDCRIFZLIQ-GFCCVEGCSA-N 436.921 4.039 5 20 IIBD CCC[C@H]1CC[C@H](C(=O)N2CCCC23CN(C(=O)c2cccc(F)c2[N+](=O)[O-])C3)CC1 1846077584 VYYPFVWSUFKIPT-QAQDUYKDSA-N 431.508 4.157 5 20 IIBD Cc1ccc(-c2nc(C)sc2CC(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 10389863 PGYGDYIBORLKGF-UHFFFAOYSA-N 440.477 4.488 5 20 IIBD Cc1ccc(C2=NN(C(=O)COC(=O)c3cccc([N+](=O)[O-])c3)[C@@H](c3ccco3)C2)cc1 11026087 ZFUZFDCMGVTDOR-HXUWFJFHSA-N 433.420 4.031 5 20 IIBD COC(=O)c1sccc1NC(=O)COc1ccc([N+](=O)[O-])cc1Cc1ccccc1 11273743 MHZXEHZTKCUOSQ-UHFFFAOYSA-N 426.450 4.051 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1c(-c2c(F)cccc2Cl)noc1C 11444400 BEKDGJCAFPJMOJ-UHFFFAOYSA-N 447.806 4.455 5 20 IIBD COc1cccc(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c1 14893306 KUQLEWVYXFNUFJ-UHFFFAOYSA-N 442.475 4.315 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(F)c3)cc2)cc1[N+](=O)[O-] 15414030 SUPMRRVLSACNAD-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD CSc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2OC(F)F)cc1[N+](=O)[O-] 16913394 VUDYDFAUYLRODU-SNVBAGLBSA-N 426.397 4.102 5 20 IIBD Cc1c(Cl)cccc1NC(=O)COC(=O)c1ccc(Br)c([N+](=O)[O-])c1 22879785 VPZFRXWGGXWSDS-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD CCOc1cc(C(=O)Nc2ncc(Cc3cccc(OC)c3)s2)c([N+](=O)[O-])cc1OC 24031548 XWBILGTVEJDBJA-UHFFFAOYSA-N 443.481 4.310 5 20 IIBD Cc1ccc(C(=O)OCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)cc1[N+](=O)[O-] 24291239 MMHPFCLMBIKZKA-KRWDZBQOSA-N 439.449 4.092 5 20 IIBD CCc1noc(COC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)n1 29135987 CBNVSEHKJIQNKK-UHFFFAOYSA-N 433.804 4.352 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12 36796066 NAFOXIYISSJISW-UHFFFAOYSA-N 445.810 4.349 5 20 IIBD CC(C)COc1ccccc1CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 60451411 FGQCEMWBEZNNKZ-UHFFFAOYSA-N 433.530 4.026 5 20 IIBD CCCOc1c(Br)cc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1OC 64777311 TYOAURQBOJEPAE-UHFFFAOYSA-N 437.290 4.127 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1I)N1CCC[C@@H]1Cc1ccccc1 97293803 LZLRGAOVCPZNPH-CQSZACIVSA-N 436.249 4.047 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)c1C 107508886 IGVKTVUEGAGLID-KRWDZBQOSA-N 441.509 4.225 5 20 IIBD COc1ccc(CN2CCCN(c3cc(C)nc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)cc1 301126833 WQFQWYZRIQQWMI-UHFFFAOYSA-N 433.512 4.081 5 20 IIBD O=[N+]([O-])c1cc(Br)cnc1N[C@@H]1CCN(c2ccccc2OC(F)F)C1 301714782 ZQIANRJZAKUERE-LLVKDONJSA-N 429.221 4.045 5 20 IIBD COc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 409474059 IISXNEINXZHXGO-SJORKVTESA-N 445.903 4.358 5 20 IIBD COc1ccccc1[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccco1 426959128 GQRHDHSQTQYFFM-FQEVSTJZSA-N 445.269 4.407 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCOC[C@H]3[C@@H]3CCCC3=O)cc2[N+](=O)[O-])cc1 427893798 KKDYYTZVEQBXDQ-ICSRJNTNSA-N 440.521 4.265 5 20 IIBD Cc1ccc([C@@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])N2CCCC2)cc1 431017882 CMZBZSCNXKEYQH-LJQANCHMSA-N 432.318 4.233 5 20 IIBD CCNc1ccc(C(=O)N(Cc2ccc(Cl)cc2)Cc2cnn(C)c2)cc1[N+](=O)[O-] 431244887 ZKEBTICLOIKKIE-UHFFFAOYSA-N 427.892 4.256 5 20 IIBD CCc1ccc(C(=O)Nc2c(C)cnn2[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] 434315268 BJZSMUHFXCXVIW-OAQYLSRUSA-N 433.512 4.361 5 20 IIBD Cc1c(NC(=O)[C@@H](C)Nc2cnn(-c3ccccc3Br)c2)cccc1[N+](=O)[O-] 435986055 VBNBOMFMRQBQLV-CYBMUJFWSA-N 444.289 4.291 5 20 IIBD O=C(Nc1cc(C(F)(F)F)cnc1O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436068606 UWDQCUQFKNVCQZ-UHFFFAOYSA-N 435.308 4.331 5 20 IIBD CCOC(=O)c1sc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1C 438179032 NVRSKKSHKSCSPU-UHFFFAOYSA-N 433.486 4.217 5 20 IIBD CCc1cc(Br)ccc1NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 438657109 QOIZMZPTLQHDPB-UHFFFAOYSA-N 448.317 4.295 5 20 IIBD Cc1ncc(-c2ccccc2)cc1NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 438663054 USSLOQRHOUVNRV-UHFFFAOYSA-N 432.480 4.341 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1c(F)cc(Br)cc1F 438766842 YQZRPLSPGAEDLP-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD Cc1cccc(Oc2ccccc2C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 440620029 AVNNQBULFKBURB-UHFFFAOYSA-N 445.475 4.294 5 20 IIBD CCCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1c(C(=O)OC)sc2ccccc12 442245372 VRCXLMDQFOCTMT-UHFFFAOYSA-N 434.495 4.201 5 20 IIBD CCN(CC)[C@@H](C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1cccc(C(F)(F)F)c1 444638683 WZRCSHGYNJUJER-LJQANCHMSA-N 449.433 4.189 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCC[C@H]2Oc2ccccc2C)cc1OC 448192536 YKHVRCADOJAOKJ-FXAWDEMLSA-N 428.485 4.431 5 20 IIBD Cc1c(C(F)(F)F)nn(C)c1NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 461201821 ZMAKIJRUFCKDOF-LBPRGKRZSA-N 448.405 4.476 5 20 IIBD C[C@H](c1ccccc1)N1CC[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 462558734 VXXUZEBJQKMJJR-IUODEOHRSA-N 444.340 4.015 5 20 IIBD COc1cccc(C=C2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc34)CC2)c1 464198285 MWOPLVGAAIYFAJ-UHFFFAOYSA-N 439.493 4.020 5 20 IIBD CCc1ccc([C@@H](NC(=O)c2csc([N+](=O)[O-])c2)c2cccc(S(C)(=O)=O)c2)cc1 464367622 ORYJHGSSBFGULA-HXUWFJFHSA-N 444.534 4.142 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)N1CCC2(CCOCC2)C1 464815665 PXOQEZSRPGEXBP-HXUWFJFHSA-N 429.904 4.431 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCc2ccccc2[C@@H]1c1ccccc1 465139251 MBAZXLBLUMJQCX-VWLOTQADSA-N 430.460 4.083 5 20 IIBD COC[C@@H](C)Oc1ccc(Cl)cc1N[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 469104596 XXJPTVXQFBSENB-OLZOCXBDSA-N 437.880 4.110 5 20 IIBD C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 469940719 ZZUKLXZQNGTRKF-JTQLQIEISA-N 443.308 4.065 5 20 IIBD O=C(N[C@H]1CCCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1)c1ccc2ccccc2c1 470138017 NDVJBGSHIDYUOA-IBGZPJMESA-N 436.443 4.313 5 20 IIBD NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 471406021 IQKMHKIPOFBMQJ-AXHNFQJDSA-N 445.928 4.125 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1nc(-c2ccccc2Br)no1 474779195 DXASBAZAEAVUGX-INIZCTEOSA-N 443.257 4.385 5 20 IIBD CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)c1ccc(F)cc1[N+](=O)[O-] 475693815 LCDDOERTBRVMOX-MRXNPFEDSA-N 439.281 4.264 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 477011633 ZLNYPJWBBMCYDS-GOSISDBHSA-N 442.497 4.123 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 477334724 BJLKKQYFCQWUGF-OAQYLSRUSA-N 436.418 4.323 5 20 IIBD O=c1c(Br)cn(CC/C=C/c2ccc(Br)cc2)cc1[N+](=O)[O-] 477416517 RLQGMXIVFJLXGN-HNQUOIGGSA-N 428.080 4.385 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1CCC(F)(F)F 478145321 VPFREHYSACDIRB-UHFFFAOYSA-N 443.809 4.041 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCC(C)(C)C3)cc2)cc1[N+](=O)[O-] 478217872 JPFLLFZPZFFMLO-GOSISDBHSA-N 445.541 4.355 5 20 IIBD COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)c1 478631304 KOQWMQRMBOZQIW-UHFFFAOYSA-N 446.419 4.089 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 479146405 FXONCDVZBGZGIO-UHFFFAOYSA-N 428.854 4.015 5 20 IIBD COc1cc(C)c(NC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cc1F 481705657 VFWKEEXRAGWMFV-QGZVFWFLSA-N 433.436 4.255 5 20 IIBD O=C(Nc1nnc(SCc2cccs2)s1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 484285374 ZIWGFRSBPYBLKY-UHFFFAOYSA-N 444.523 4.238 5 20 IIBD CC(C)N1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CC1 484773715 CGLSURKHQKWIDC-UHFFFAOYSA-N 430.936 4.417 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@H]4[C@@H](CCCN4Cc4ccccc4)C3)n2)cc1 485361515 NTRNCZCKHUXUTC-UNMCSNQZSA-N 433.512 4.131 5 20 IIBD COC(=O)c1c(Br)ccc(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1C 486228039 IPKYLKFIRIEPFI-UHFFFAOYSA-N 447.245 4.114 5 20 IIBD CSc1cccc(C(=O)NC[C@@H](C)Oc2cccc(Br)c2)c1[N+](=O)[O-] 486416489 MPBCPYILVVTHQJ-LLVKDONJSA-N 425.304 4.277 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2ccsc2)CC1 486625592 PMVUDQSODNEJKF-UHFFFAOYSA-N 434.539 4.331 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(Cl)cc2I)c1 486930546 XBTACWDEYSSFDP-UHFFFAOYSA-N 430.629 4.091 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(OCCn2cncn2)c1 488192849 ALJBZABYOPDDMA-UHFFFAOYSA-N 441.513 4.266 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ncc(Br)cc1C 489259066 XKYPPFAXVIKCJB-UHFFFAOYSA-N 426.292 4.052 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C(C)=O)nnc1-c1ccc([N+](=O)[O-])cc1 489390630 QDLYYQXDQBVHKQ-AWEZNQCLSA-N 439.497 4.195 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2ccc(F)cc2F)nnc1-c1ccc([N+](=O)[O-])cc1 489400354 HNXMQTWCWNGQNV-NSHDSACASA-N 433.440 4.271 5 20 IIBD CC(C)(C)c1nnc(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)s1 490398857 NPIMUASLBHHOIF-UHFFFAOYSA-N 425.514 4.286 5 20 IIBD CCN(C)CCNC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 498741333 UQFXNJQGBRINJY-UHFFFAOYSA-N 427.448 4.446 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1ccc(CN2CCc3ccccc32)cc1 500685346 TYQIVJGDNHIVJA-UHFFFAOYSA-N 430.508 4.499 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@H](C)[C@@H](n3ccnc3)C2)c([N+](=O)[O-])c1 503094644 JZXVWYSIFZYDCT-TZYHBYERSA-N 433.512 4.363 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C(=O)N2CCOCC2)c1C 504075486 KVFCLDHTKIXQLW-UHFFFAOYSA-N 443.525 4.130 5 20 IIBD Cc1cc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)nn1CCCOc1ccc(F)cc1 504317506 FGKAJWLHGJRHGT-UHFFFAOYSA-N 437.431 4.442 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)NCc1nc(-c2cccc(Oc3ccccc3)c2)no1 504597706 NGDQCXDTAXQCGT-UHFFFAOYSA-N 445.435 4.437 5 20 IIBD Cc1c(Br)cc(C(=O)N(C)c2ccc(Br)cn2)cc1[N+](=O)[O-] 510629489 RRDHNGQJHZMXOX-UHFFFAOYSA-N 429.068 4.100 5 20 IIBD COc1cc(C(=O)N2CCCc3ccccc32)c([N+](=O)[O-])cc1OCc1cscn1 511122531 GZLBERXHPCLRRD-UHFFFAOYSA-N 425.466 4.232 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@@H](c3ccnn3C)C2)c([N+](=O)[O-])c1 511142955 BWFBWZHBHPTEFW-XXBNENTESA-N 433.512 4.196 5 20 IIBD Cc1c(C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)nnn1-c1cccc([N+](=O)[O-])c1 512010234 VNLNVSFWGDGALS-MRXNPFEDSA-N 437.353 4.047 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 512841284 ZPPVPSRIPRGJDC-GOSISDBHSA-N 436.434 4.030 5 20 IIBD COc1cc(CN2CCC[C@H](Oc3ccccc3OC)C2)c([N+](=O)[O-])cc1OC(F)F 513411846 QXAQFSGHDACGJI-HNNXBMFYSA-N 438.427 4.257 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 515847251 YBERMDPVHVQPLL-UHFFFAOYSA-N 435.845 4.203 5 20 IIBD CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc([N+](=O)[O-])cn1C)N(C)C 521810392 ZMSQPBIEAZMSIB-LJQANCHMSA-N 441.359 4.469 5 20 IIBD COc1cc(Br)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1OC 522744195 GCPUJDOLUSZBTM-UHFFFAOYSA-N 429.654 4.209 5 20 IIBD COc1cc(CN2CCC[C@@H](OCC(F)(F)F)C2)c([N+](=O)[O-])cc1OCC(F)(F)F 534337312 DZERHEKDXCLPRQ-GFCCVEGCSA-N 446.344 4.088 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H](C3CCOCC3)C2)cc1 534400965 XFRFKSPLVNVVNZ-KRWDZBQOSA-N 426.469 4.284 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCOC[C@H]2CC(=O)c2ccco2)cc1[N+](=O)[O-] 535911951 PIHBLBSOILWNLN-QGZVFWFLSA-N 446.525 4.440 5 20 IIBD Cc1ccc(C(=O)N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)CC2)cc1 538194737 OXORJCRKZWBPSF-UHFFFAOYSA-N 427.526 4.002 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3cccc(CCN(C)C4CC4)c3)cc2)c(C)c1[N+](=O)[O-] 538231994 KZXFYNXHPXSRRL-UHFFFAOYSA-N 447.539 4.345 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@H](CN1CCCC1=O)c1ccccc1 544404612 JKGIQIOMSYCLAA-MRXNPFEDSA-N 436.390 4.099 5 20 IIBD O=[N+]([O-])c1cccc(Cc2nc(-c3ccc(OCc4nnc5n4CCCCC5)cc3)no2)c1 546249017 FEZSSPWZOMCNPF-UHFFFAOYSA-N 446.467 4.133 5 20 IIBD Cc1cc(=O)c(-c2nc(-c3ccccc3COC(C)C)no2)nn1-c1ccccc1[N+](=O)[O-] 546355271 GVTSVJSLZQCSRY-UHFFFAOYSA-N 447.451 4.091 5 20 IIBD C[C@@H]1CCCN1C(=O)c1ccc(-c2noc(CCCNc3ccc([N+](=O)[O-])cc3)n2)cc1 546562508 YQDOZILDKSSBFS-MRXNPFEDSA-N 435.484 4.314 5 20 IIBD C[C@](O)(C1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1)C(F)(F)F 546635660 UQEOELMOMMHCDE-IBGZPJMESA-N 425.407 4.099 5 20 IIBD CC(=O)Nc1ccc(/C=C\c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)cc1 547169822 LBDGNVJDWJTYEH-WTKPLQERSA-N 443.257 4.460 5 20 IIBD Cc1nc(CC(C)C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)s1 551037570 STKGQEGNAXQYOT-UHFFFAOYSA-N 434.337 4.122 5 20 IIBD Cc1cc(CN2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)ccc1Oc1cccnc1 552142043 GVXTUGCKCKBOQY-UHFFFAOYSA-N 432.480 4.049 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cccc(NS(=O)(=O)Cc2ccccc2)c1 553990484 VLCVSHIMTFOAHP-UHFFFAOYSA-N 439.493 4.108 5 20 IIBD O=C(NCc1ccncc1OC[C@H]1CCOC1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 554666264 XBDTVRDNISLGRQ-KRWDZBQOSA-N 449.463 4.127 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)Nc2cccc(COCC3CC3)c2)cc1[N+](=O)[O-] 556565222 ZYOPFQZCSHQFPQ-UHFFFAOYSA-N 425.485 4.396 5 20 IIBD C[S@@](=O)Cc1ccc(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1 557760696 IHHDVXUWQWIGBA-WJOKGBTCSA-N 437.521 4.015 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCOc3ccc(Br)cc32)c1 558802476 JQUNBFDOAKNHPN-INIZCTEOSA-N 435.274 4.352 5 20 IIBD CCc1nc2cc(CNC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)ccc2n1C1CC1 558824525 OLEIXYNQIDWDRQ-UHFFFAOYSA-N 444.495 4.172 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccnc1C(F)(F)F 563999828 MFGAJQLWYQLKHO-UHFFFAOYSA-N 437.300 4.261 5 20 IIBD CC(C)COc1cccc(CNC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 567481435 SYBFCZAXQNFYMA-UHFFFAOYSA-N 427.501 4.182 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCc1cc(F)c(F)cc1Br 569953810 VTAHLPVXUNIDAU-UHFFFAOYSA-N 428.233 4.020 5 20 IIBD C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 575203896 NBISFLPSFDBWKW-IRXDYDNUSA-N 445.947 4.338 5 20 IIBD Cc1cnccc1OC1CCN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)CC1 578777719 UYTDMOIIBLOEDE-UHFFFAOYSA-N 434.290 4.053 5 20 IIBD Cc1cc(-c2noc([C@@H](C)Sc3nc4cc([N+](=O)[O-])ccc4c(=O)n3C)n2)ccc1F 582937310 MXXFUARWWZHBFZ-LLVKDONJSA-N 441.444 4.193 5 20 IIBD COc1cc(CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])ccc1OC1CCCC1 603859606 GVCKQYJWKQCSCX-UHFFFAOYSA-N 425.485 4.429 5 20 IIBD Cc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)s1 603911222 PSIHDBGTLGTCFO-UHFFFAOYSA-N 445.522 4.004 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(OCC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)c1 603912157 HENWOTKXAHYOHN-QGZVFWFLSA-N 432.448 4.193 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3n2C)cc([N+](=O)[O-])c1 603940063 RCRMDDMSHKCNDX-HXUWFJFHSA-N 436.468 4.026 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](c1ccccc1Cl)N(C)C 604444923 ATURODLEQLLVOY-SJKOYZFVSA-N 426.300 4.088 5 20 IIBD CC[C@@H]1CCc2nc(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)sc2C1 608804745 GVUUDUMQMNWSQV-RDTXWAMCSA-N 442.541 4.118 5 20 IIBD O=C(Nc1ccc(Oc2ccncc2)cc1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 609502566 JMKAMJHITNWXID-QGZVFWFLSA-N 438.465 4.087 5 20 IIBD COc1ccc(C2(CNC(=O)c3cc(O)nc4ccc([N+](=O)[O-])cc34)CCCCC2)cc1 609548568 KQLFWJVQMYAJFA-UHFFFAOYSA-N 435.480 4.489 5 20 IIBD O=C(COc1ccc2c(c1)CCC(=O)N2)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609761305 AQABLQKGBSPPJV-UHFFFAOYSA-N 433.420 4.289 5 20 IIBD COC(=O)c1ccc(CNC(=O)[C@H](C)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 609769411 QZZLUQFSLNSWTA-INIZCTEOSA-N 449.463 4.291 5 20 IIBD Cc1cc(=O)c(C(=O)N[C@@H](C)c2cccc(Cl)c2Cl)nn1-c1ccccc1[N+](=O)[O-] 609796453 SDTZYDVZSKKTTH-LBPRGKRZSA-N 447.278 4.247 5 20 IIBD C[C@H](CN1CCN(c2ccccn2)CC1)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 609804959 FAOVSLWMMMYHPX-GOSISDBHSA-N 437.569 4.019 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 609841824 QWKTWBWVNAGCGE-HNNXBMFYSA-N 448.936 4.167 5 20 IIBD Cc1nc([C@@H]2CCCCN2C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)no1 609975687 QZRAJRQJORNULW-LIRRHRJNSA-N 436.472 4.222 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 609997642 VLMSXJRHWSILHB-HIFRSBDPSA-N 434.851 4.276 5 20 IIBD Cc1cccc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1I 610046660 VZBOQJYOTHXQPK-UHFFFAOYSA-N 438.265 4.261 5 20 IIBD O=C(CCCSc1ccc(Cl)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 610118549 WTORDMLEQXFEBS-UHFFFAOYSA-N 447.944 4.105 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)c1cnc2[nH]cnc2c1 611207405 UAYIOIUNTSPVPT-UHFFFAOYSA-N 441.806 4.381 5 20 IIBD COc1cc(C(F)(F)F)ncc1NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 616898617 PODKWAOKXBPMLV-UHFFFAOYSA-N 440.378 4.093 5 20 IIBD O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CC(c2nc3ccccc3[nH]2)C1 618845535 DOGUGBZJEZHJHD-UHFFFAOYSA-N 428.448 4.290 5 20 IIBD O=C(COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])Nc1ccccc1Oc1ccccc1 725936313 CYGHYGBRJZFFPX-UHFFFAOYSA-N 428.347 4.461 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 726566866 BIIMRRQBOFGGPC-FUHWJXTLSA-N 430.302 4.243 5 20 IIBD COc1ccc(CCNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(OC)c1OC 727826203 FIIMAQHYGOINHD-UHFFFAOYSA-N 445.350 4.202 5 20 IIBD CC(C)Oc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 729949576 JYMXBPDBZXIEEK-UHFFFAOYSA-N 437.418 4.363 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1)c1cnn(-c2ncccc2Cl)c1C(F)(F)F 730469872 TXUHTYYBPBESJX-UHFFFAOYSA-N 426.738 4.205 5 20 IIBD COc1ccc(NC(=O)COC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 730615757 WJJGHPYEJHTVQQ-UONOGXRCSA-N 439.251 4.196 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1(c2ccccc2Cl)CCOCC1 730649976 ZFXQWVKWXVDNHF-UHFFFAOYSA-N 443.843 4.090 5 20 IIBD C[C@H](CC(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 733524805 VGFFFTWNWFPTSM-LLVKDONJSA-N 428.338 4.428 5 20 IIBD C[C@H](OC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1nc2cc(Br)cnc2[nH]1 735215051 YAMUDDRVXRDQQT-NSHDSACASA-N 448.277 4.125 5 20 IIBD O=C(NC[C@@H]1COc2ccccc2C1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 735993835 HAKYOQOSPCNYDR-GFCCVEGCSA-N 447.278 4.068 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1ccncc1F 741378311 JSDQBUIEAWUBAH-GOSISDBHSA-N 429.791 4.319 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCCc2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-])c1ccccn1 742007497 KOOYVAUJCXBSDW-HNNXBMFYSA-N 435.440 4.044 5 20 IIBD Cc1cc(=O)c(C(=O)OCc2cc(Cl)ccc2Cl)nn1-c1ccccc1[N+](=O)[O-] 744512346 KYEXCSMHOWCURS-UHFFFAOYSA-N 434.235 4.113 5 20 IIBD C/C(=C\C(=O)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccc(C(F)(F)F)c1 745481920 BSOYOXOATACGNK-UKTHLTGXSA-N 434.370 4.149 5 20 IIBD CC(C)c1nn(C)c2sc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc12 745533060 GUWZNUMFAFDXPT-UHFFFAOYSA-N 436.877 4.115 5 20 IIBD C[C@H](OC(=O)COc1cccc(C(F)(F)F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 745938273 KZUVTLVJXHHOHH-NSHDSACASA-N 437.330 4.347 5 20 IIBD Cc1ccc(N2CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)[C@@H](C)C2)cc1C 747898861 YWVPHARYDWTCTK-FQEVSTJZSA-N 436.556 4.165 5 20 IIBD Cc1c(C(=O)Nc2cccc(NC(=O)c3ccncc3)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748618015 PYQXQHSBZGPCIW-UHFFFAOYSA-N 435.396 4.019 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])cc2)C[C@H](C)O1 750822627 UVRDBXWZBVOJPD-STQMWFEESA-N 434.290 4.223 5 20 IIBD C[C@@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 751270976 DVOAAKRTIYPBEQ-CYBMUJFWSA-N 437.905 4.064 5 20 IIBD O=C(Nc1ccccc1)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 751273314 ZQNVCCRCGZLEIS-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NC[C@]3(O)CCc4ccccc43)cc2[N+](=O)[O-])n1 752561792 ITXRFJRYCGWIAI-OAQYLSRUSA-N 441.534 4.075 5 20 IIBD C[C@@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc2c(c1)CCC(=O)N2 755030109 LYHXMTIOISDFRP-SNVBAGLBSA-N 433.262 4.125 5 20 IIBD CCCC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 755060828 IJSOTADILZIKHB-KGLIPLIRSA-N 430.432 4.391 5 20 IIBD CSCc1nc2ccccc2n1CC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 755370030 MZKNGRWHLRVUSU-UHFFFAOYSA-N 435.303 4.209 5 20 IIBD C[C@H](OC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 755763104 PMWCXNZMIOTPQH-UGSOOPFHSA-N 447.285 4.153 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H]2Cn2c(C)nc3ccccc32)cc1[N+](=O)[O-] 755967787 RIFHZDQCNAWTHP-OAHLLOKOSA-N 448.932 4.068 5 20 IIBD C[C@@H](CCCC(F)(F)F)NC(=O)c1ccc(I)c([N+](=O)[O-])c1 756796336 ZNVAXLPZJUQRKY-QMMMGPOBSA-N 430.164 4.050 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)OCC(=O)N1c2ccccc2Sc2ccccc21 758084568 BRPGDHWKMNPBLN-UHFFFAOYSA-N 439.424 4.302 5 20 IIBD COc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2Br)c(Br)c1 759155167 GSGRBFUHKDWVND-UHFFFAOYSA-N 431.036 4.348 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CS(=O)(=O)C[C@H](O)c3ccc4ccccc4c3)co2)cc1 760229382 JFZIDDJTOQYYCI-NRFANRHFSA-N 438.461 4.051 5 20 IIBD Cc1cc(C)n(Cc2cccc(C(=O)OCc3coc(-c4ccc([N+](=O)[O-])cc4)n3)c2)n1 760507156 DMVIFLVGKHDHAP-UHFFFAOYSA-N 432.436 4.468 5 20 IIBD O=C(NC[C@H](c1ccccc1)N1CCc2sccc2C1)c1cc(F)c([N+](=O)[O-])cc1F 763406072 KBRSMNKJGPSWER-HXUWFJFHSA-N 443.475 4.464 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)N(C)Cc1ccc(Cl)s1 763815486 UCTYPNXGQBGTFH-UHFFFAOYSA-N 428.919 4.237 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 764089181 XBEGRKBYABYVQB-GJZGRUSLSA-N 437.562 4.472 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(NCc2ccc(NC(=O)c3ccncc3)cc2)cc1Cl 765484166 YDFPBYLDBYEMRC-UHFFFAOYSA-N 440.843 4.294 5 20 IIBD CNC(=O)c1cc(Oc2cccc(OC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c2)ccn1 766716067 PCZHLJQBABZXJV-UHFFFAOYSA-N 433.376 4.107 5 20 IIBD Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 768354623 RYMXZFVTBUNKKL-QFIPXVFZSA-N 435.436 4.187 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CCSC[C@H]1c1cccc(C(F)(F)F)c1 769779319 CBRLWGKYNNBSNG-INIZCTEOSA-N 439.415 4.269 5 20 IIBD C[C@H](NC(=O)Nc1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2)c1cccc([N+](=O)[O-])c1 774122713 NYUJZWQBWGSLDD-AWEZNQCLSA-N 441.488 4.166 5 20 IIBD CC(C)([C@@H](OC(=O)CCn1cc(Cl)cn1)c1ccc(Br)cc1)[N+](=O)[O-] 774373707 PJHXRRRVMIQABU-HNNXBMFYSA-N 430.686 4.029 5 20 IIBD C[C@H](Nc1ccc(C(=O)OCC2CCC3(CC2)OCCO3)cc1[N+](=O)[O-])c1ccccn1 774437101 NLBKPJAPCVVFHC-INIZCTEOSA-N 441.484 4.253 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC(C(=O)C(F)(F)F)CC2)cc1OC 775862029 ZOEASXXYPQRZQM-CYBMUJFWSA-N 432.439 4.372 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N(Cc2ccccn2)c2ccc(N(C)C)cc2)cc1[N+](=O)[O-] 776391889 XJOYICCTHHJTDG-UHFFFAOYSA-N 435.440 4.119 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 778233950 OLJGVCROJQPXTA-UHFFFAOYSA-N 432.402 4.307 5 20 IIBD CC(=O)c1ccc(N2CCOC[C@H]2c2c(C)nn(Cc3ccccc3)c2C)c([N+](=O)[O-])c1 779608564 DXVIKBFTVOTQOG-QHCPKHFHSA-N 434.496 4.237 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(OC)c1C(C)C 781296736 WZWDCNJLTYPRAG-AWEZNQCLSA-N 430.457 4.228 5 20 IIBD CSc1cccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2Br)c1C 785063894 TUDSULUAWWIBAF-UHFFFAOYSA-N 438.303 4.273 5 20 IIBD O=C(Nc1cccc(-c2ccc3c(c2)CCO3)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 785145013 BHSWNNHESYMUOC-UHFFFAOYSA-N 437.839 4.427 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(C(=O)OC)cc1Br 785627555 GKIGASQTNKEIGB-AWEZNQCLSA-N 449.301 4.029 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 785658547 DJEZRLUUFWHTHM-AWEZNQCLSA-N 425.363 4.407 5 20 IIBD Cc1ccc([C@H](N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c2cccc(S(C)(=O)=O)c2)cc1 788608510 GQCNRAJIKUHJNU-MWTRTKDXSA-N 439.537 4.329 5 20 IIBD CC(=O)NCc1ccc(-c2nc(NC(=O)c3cc([N+](=O)[O-])cc(C)c3F)sc2C)s1 790224348 PHMMVWSMACSGIP-UHFFFAOYSA-N 448.501 4.424 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)c1[N+](=O)[O-] 790391207 SHGFYBVLNFYVNY-UHFFFAOYSA-N 434.861 4.248 5 20 IIBD CC(C)c1c(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cnn1-c1ccc(Cl)cc1 790422230 SQRLJEPLNHKPGP-UHFFFAOYSA-N 438.868 4.497 5 20 IIBD Cc1c(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])cccc1-c1ncco1 793446112 ZCYRJEKISZDOEB-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1Nc1ccccc1 794864333 DOTVLHQCLVYZPN-UHFFFAOYSA-N 444.425 4.056 5 20 IIBD C[C@@H](OC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(Br)cc1 795398804 YKOLFWURNXSYQY-SNVBAGLBSA-N 441.665 4.045 5 20 IIBD C[C@@H](Cc1noc(-c2cc([N+](=O)[O-])ccc2N2CCCC2)n1)N(C)C(=O)OC(C)(C)C 795754312 FCFIIGIQWXAMIA-AWEZNQCLSA-N 431.493 4.043 5 20 IIBD CCCc1[nH]nc(C(=O)O[C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)c1[N+](=O)[O-] 796265209 IXWKCCHMHOTJAX-CQSZACIVSA-N 438.440 4.247 5 20 IIBD CCN(c1ccc(Cl)cc1F)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 799547265 ZPULAPFTWMDTRB-UHFFFAOYSA-N 437.674 4.365 5 20 IIBD Cc1noc(C)c1CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1ccccc1 802290351 MGQGXGZJBLHLSO-UHFFFAOYSA-N 432.484 4.337 5 20 IIBD CC[C@@H]1c2ccsc2CCN1C(=O)COC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 802652238 BFEGYWNPOFYJKE-CXAGYDPISA-N 434.539 4.216 5 20 IIBD COC(=O)c1cc(C)nc(Oc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)n1 804322506 IMWJZFVMHYMDLU-UHFFFAOYSA-N 433.376 4.046 5 20 IIBD COC(=O)Nc1cccc(CN=c2c([N+](=O)[O-])c[nH]c3ccc(Br)cc23)c1 804816166 OSGARRMGYWEONL-UHFFFAOYSA-N 431.246 4.118 5 20 IIBD CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1Cl 809913259 BSJXWHOCTNMHCQ-GFCCVEGCSA-N 447.797 4.171 5 20 IIBD COc1cc(C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c([N+](=O)[O-])cc1OC 811219901 AOXILWZWGHGGEN-UHFFFAOYSA-N 445.409 4.001 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)OC(C)(C)C)c2ccccc21 813279945 PXDXSBRKXRICBH-UHFFFAOYSA-N 426.473 4.063 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 814431572 MRVFVSVDTSVMPX-QZTJIDSGSA-N 431.533 4.403 5 20 IIBD CCc1nc(C(C)C)ccc1COC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 815199592 CMGMZGZCJJUNNQ-QFIPXVFZSA-N 439.512 4.332 5 20 IIBD O=C(OCCOc1ccc([N+](=O)[O-])cc1)C1CCN(c2noc3ccc(Cl)cc23)CC1 815373465 YXHJYNMMWPRFMQ-UHFFFAOYSA-N 445.859 4.228 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 815847484 OWMCHQSOJKEYKP-KDOFPFPSSA-N 426.366 4.481 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(=O)NCCC1=CCCCC1 823252711 OFMOOFZAHYSBBN-KRWDZBQOSA-N 429.517 4.137 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cccc(Cn3ccnc3)c2)cc1)c1cccc([N+](=O)[O-])c1 916332948 KIXXIRNIUJHWLF-UHFFFAOYSA-N 442.431 4.311 5 20 IIBD O=C(COC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)OC1(CCCCC1)O2 917218581 XGLOPJMQFHSYBB-WDZFZDKYSA-N 438.436 4.222 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O[C@H](C)C(=O)Nc1cccc2ncccc12 920778443 JJWJMIVOCYVMEK-OLZOCXBDSA-N 443.843 4.134 5 20 IIBD COc1ccccc1C1(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCC1 1116170538 HLBIYWYNAQOJMX-CYBMUJFWSA-N 432.860 4.249 5 20 IIBD Cc1ccc(C2=NN(C(=O)CN3Cc4ccc([N+](=O)[O-])cc4C3)[C@@H](c3ccco3)C2)cc1 1116330201 XEDVSOUHPGKKOZ-JOCHJYFZSA-N 430.464 4.190 5 20 IIBD Cc1cccc(NC[C@@H]2CCCN2C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)n1 1318714536 OVLGGBDODDXVHA-FQEVSTJZSA-N 437.544 4.251 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CNC2CCN([C@@H]3CCCC[C@@H]3O)CC2)o1 1319840229 WOACXYWQMBQWDI-CTNGQTDRSA-N 433.936 4.366 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Br)C1 1321394849 SDKWGRBNGSKTFB-UONOGXRCSA-N 442.354 4.483 5 20 IIBD O=C(N1CCc2sccc2C1)N1CCC[C@@H](c2nnc(-c3cccc([N+](=O)[O-])c3)o2)C1 1329059049 AAIVNCNWJCVIBX-MRXNPFEDSA-N 439.497 4.064 5 20 IIBD C[C@H](Cc1ccccn1)C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1 1785752149 ZYXZKHXRVGCCNN-MRXNPFEDSA-N 448.479 4.209 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)Cc4cccc([N+](=O)[O-])c4)cc3)CCC2)ccn1 1785793540 FCKBNAKDGLIZRR-UHFFFAOYSA-N 444.491 4.289 5 20 IIBD Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)[C@H]4CCC=CO4)cc3)CCC2)cc1[N+](=O)[O-] 1789504468 MAEJSXWJJPCODD-JOCHJYFZSA-N 449.507 4.273 5 20 IIBD CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCC4)cc2)CCC1 1790046852 NKBFOCBJCSLJOM-UHFFFAOYSA-N 437.496 4.324 5 20 IIBD O=C(/C=C/c1ccoc1)NC1(c2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2)CCC1 1790617331 SYXVOGVNVCAXAU-XNWCZRBMSA-N 447.447 4.355 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cc(F)cc([N+](=O)[O-])c4)cc3)CCC2)no1 1790696737 PVLIDMRPLJUWMD-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD C[C@H]1C[C@]1(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 1801207184 NBVDKNIFIMZYDP-OLRLFZPVSA-N 427.526 4.107 5 20 IIBD C[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1)c1ccccc1 1832889578 PGXWEEDDEWKRGI-FXAWDEMLSA-N 439.512 4.225 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CC2(CCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)C1 1844755458 HAEVCAGSSWVLQV-UHFFFAOYSA-N 449.438 4.125 5 20 IIBD CCOc1ccc(NC(=O)[C@H](C)OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 11278800 ZRUKJZWBUHNILW-KRWDZBQOSA-N 444.487 4.124 5 20 IIBD C[C@@H](OC(=O)c1cccc(OC(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 11462872 QQORDTJJGIVRNB-SECBINFHSA-N 448.300 4.399 5 20 IIBD C[C@@H](OC(=O)CCCc1ccc(Br)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1 16257281 KTDZWKZGKYQGIM-LLVKDONJSA-N 441.303 4.312 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(SC(F)(F)F)cc2)c([N+](=O)[O-])c1 18657094 LZAQRAXLVIAUGG-SNVBAGLBSA-N 444.387 4.399 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N2CCC(C(=O)c3ccc(C)cc3C)CC2)c([N+](=O)[O-])c1 26643235 UUCQGLZBBAPWCS-QGZVFWFLSA-N 439.512 4.142 5 20 IIBD CCOc1cc(Br)c(CC(=O)OCc2cccc([N+](=O)[O-])c2)cc1OCC 26706968 PROBUZNSWYVXRD-UHFFFAOYSA-N 438.274 4.441 5 20 IIBD CC(C)(C)n1nnnc1S[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 27808544 HOCHPBRTVQULRO-INIZCTEOSA-N 446.920 4.462 5 20 IIBD Cc1csc(Sc2ccc(C(=O)OCC(=O)N[C@H]3CCCC[C@@H]3C)cc2[N+](=O)[O-])n1 28808034 XTFIGVYUJAKHRO-WFASDCNBSA-N 449.554 4.363 5 20 IIBD CCOc1ccc(CNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC 46795103 HPEQNXPNOXQLCW-UHFFFAOYSA-N 444.431 4.429 5 20 IIBD CCCCc1oc2ccccc2c1CN(C)C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 60963272 GHAIYMCDTVEMDN-UHFFFAOYSA-N 437.452 4.250 5 20 IIBD COc1ccc(CN(C)C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1OC(F)F 64724617 FTDRNLDGDYOSGH-LLVKDONJSA-N 444.818 4.284 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)CCSc1ccc(Cl)cc1 104562742 QCKIBDIVIUTLEY-GFCCVEGCSA-N 438.889 4.309 5 20 IIBD CCNC(=O)c1cccc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 108752213 HVQWUQIZTQXPSA-HNNXBMFYSA-N 433.468 4.165 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc3oc(C(C)C)nc3c2)ccc1[N+](=O)[O-] 110368315 OOIICOFLRRZEHV-IBGZPJMESA-N 436.468 4.411 5 20 IIBD C[C@H](Cc1cccc(Br)c1)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 195677033 KKDQGSMEAFUIMN-CQSZACIVSA-N 432.318 4.319 5 20 IIBD Cc1cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)n(-c2ccc(F)cc2)n1 218445363 YOXLEMCKUMVMRO-UHFFFAOYSA-N 426.451 4.427 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](CCc1ccccc1)c1ccccc1 303130342 IEKZCVUORUYZRD-FDDCHVKYSA-N 431.492 4.203 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCN(C(=O)c2ccc(F)cc2Cl)CC1 303196386 GNQBOHYRSOJKSO-UHFFFAOYSA-N 435.883 4.133 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 410154173 LPJRBOYXFCXAJW-JOCHJYFZSA-N 431.448 4.406 5 20 IIBD C[C@@H]1CCCCN1C[C@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 426264019 PDKAMGINOAROFF-HZPDHXFCSA-N 442.482 4.410 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N(C)Cc1cccc2[nH]ccc12 427780082 MLCJTXLCUYTKBM-HXUWFJFHSA-N 442.903 4.143 5 20 IIBD CC(C)(C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1)c1ccccc1[N+](=O)[O-] 429903437 PJKWTADOVLECJJ-GOSISDBHSA-N 433.302 4.235 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccco2)c2ccccc2OC)cc1OC 431106025 DJTMBQCFAVPRSV-OAQYLSRUSA-N 426.425 4.123 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1ccccc1Br)C1CCN(c2ccccc2[N+](=O)[O-])CC1 431156727 NQVRDGRSHHOGHF-FUHWJXTLSA-N 444.329 4.246 5 20 IIBD Cc1ccccc1C1(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCOCC1 431935234 GUMILOQWTYLGTP-UHFFFAOYSA-N 433.302 4.144 5 20 IIBD CC(=O)Nc1nc2ccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)cc2s1 432644261 JPKDFVBERLNWCB-UHFFFAOYSA-N 435.259 4.178 5 20 IIBD CCOc1cc(NC(=O)Cc2cc(F)ccc2Br)c([N+](=O)[O-])cc1OCC 434009406 XYVDSBSHFFJXHC-UHFFFAOYSA-N 441.253 4.475 5 20 IIBD O=C(Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(Cl)cc1[N+](=O)[O-] 435636716 KPZKPOSYGVEDCH-QGZVFWFLSA-N 425.876 4.144 5 20 IIBD CC[C@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCS1 437147807 VCLFBRAATJLVDS-HNNXBMFYSA-N 431.480 4.184 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N(Cc3ccccc3)CC(F)F)cc2)c(C)c1[N+](=O)[O-] 437172371 OSDIIUQHEGFCBY-UHFFFAOYSA-N 428.439 4.364 5 20 IIBD CC[C@H](C[C@@H](C)CO)Nc1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1[N+](=O)[O-] 439709464 OKWLTLAMWMYSLR-IAGOWNOFSA-N 435.546 4.019 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](c1ccccc1F)C1CCCC1 440071665 MGZKQPBFNLKIEA-HXUWFJFHSA-N 429.448 4.119 5 20 IIBD CCO[C@H]1C[C@H](N(C)C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C12CCC2 444242174 UUJYWAJCCZAAIC-OALUTQOASA-N 426.463 4.379 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc([C@H](C)Oc3ccc(Br)cc3)n2)c1 445572999 FXFSZVOGWJQLPH-NSHDSACASA-N 434.246 4.480 5 20 IIBD CCn1c(SCc2nc(Cc3cccc(F)c3)no2)nnc1-c1ccc([N+](=O)[O-])cc1 447310267 WFJRTRPKJNCWTN-UHFFFAOYSA-N 440.460 4.278 5 20 IIBD CCn1c(SCC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)nc2ccccc21 460346607 AENKRINODCQACD-LJQANCHMSA-N 428.539 4.331 5 20 IIBD CCCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 461536627 RXOSTNUVFLVRGX-HSZRJFAPSA-N 439.491 4.361 5 20 IIBD Cc1cccc(Oc2cc(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3F)ccn2)c1C 462673408 FTCBBOWJWFUSJJ-UHFFFAOYSA-N 431.445 4.017 5 20 IIBD Cc1ccc(NC(=O)c2ccc(Oc3ccc(O[C@@H](C)C(N)=O)cc3)c([N+](=O)[O-])c2)cc1 462887752 LNEQOZCZFNHWOW-HNNXBMFYSA-N 435.436 4.200 5 20 IIBD C[C@H](CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)Oc1ccccc1F 463925594 KGZBJSNYHIMQFS-HZPDHXFCSA-N 438.459 4.499 5 20 IIBD O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N(CCCOc1ccccc1)C1CCOCC1 464181960 OPANUZXDDMYKRQ-UHFFFAOYSA-N 439.512 4.259 5 20 IIBD Cc1cc(C)n(-c2ccc(C(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)cc2F)n1 464663303 WDQQWPAYRXOMNM-UHFFFAOYSA-N 438.459 4.220 5 20 IIBD O=[N+]([O-])c1ccc2nc(CSc3nnc(CN4CCCCC4)n3-c3ccccc3)[nH]c2c1 473783436 CRBSKDFXKUYVEH-UHFFFAOYSA-N 449.540 4.330 5 20 IIBD COc1cc(N[C@H]2CCCN(C(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)C2)cc(OC)c1 475737669 MLIWVGPPHBLBSP-HOTGVXAUSA-N 445.541 4.196 5 20 IIBD COc1cc(CCNC(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)c([N+](=O)[O-])cc1OC 476985797 DFCWVDZNIMETHD-XUVXKRRUSA-N 439.512 4.132 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2cccc(CSC3CCOCC3)c2)c1[N+](=O)[O-] 480227872 NFVYYJNSQXZGNP-UHFFFAOYSA-N 436.555 4.425 5 20 IIBD CCCCN1C(=O)CC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(OC)cc1 481623296 JVDKTIPBGHBQQG-IFMALSPDSA-N 425.485 4.322 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(I)cc2)cc1SC 482161347 CRVYUGOECGCEKX-UHFFFAOYSA-N 444.250 4.182 5 20 IIBD CCCCn1ncc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c1C(C)C 482743156 QOKYVIOKGJOEMP-UHFFFAOYSA-N 429.477 4.042 5 20 IIBD CNC(=O)c1cc(Oc2cc(NC(=O)N(C)Cc3ccccc3[N+](=O)[O-])ccc2C)ccn1 483554063 DNYCYJOPFWQRGI-UHFFFAOYSA-N 449.467 4.114 5 20 IIBD CC(=O)c1ccc(NCc2cccnc2Oc2cccc(S(C)(=O)=O)c2)c([N+](=O)[O-])c1 484088684 LVYALJNRYVWIPO-UHFFFAOYSA-N 441.465 4.000 5 20 IIBD CC(C)(C)Oc1cc(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)ccc1[N+](=O)[O-] 484863549 KZNFOUWUIYZGAN-UHFFFAOYSA-N 436.512 4.145 5 20 IIBD COc1ccc(OC)c(NC(=O)[C@H](C)Sc2ccc(Br)cc2[N+](=O)[O-])c1 485293688 WTSDTOXPMQAZMC-JTQLQIEISA-N 441.303 4.494 5 20 IIBD O=C(c1cn(-c2ccc(Cl)c(Cl)c2)cn1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 485382888 DUCMXXBWEYAKBS-UHFFFAOYSA-N 446.294 4.050 5 20 IIBD CCOc1cc(C(=O)N[C@H](COc2ccccc2F)C(C)(C)C)c([N+](=O)[O-])cc1OC 486388480 ORZKPYMGDACHRN-HXUWFJFHSA-N 434.464 4.365 5 20 IIBD COC(=O)c1cc(NC(=O)N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c(C)c([N+](=O)[O-])c1 486894342 DZKDMFOYJVGRGX-PXNSSMCTSA-N 445.447 4.213 5 20 IIBD C[C@@H]1CSCCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 489533826 SJKDLBDQZKXJTO-ZDUSSCGKSA-N 431.480 4.042 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 489731916 GCMJADRZZMKBBN-NSHDSACASA-N 435.358 4.496 5 20 IIBD CCNC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)nc2ccccc12 490244930 LLPUKOYHDDAHST-UHFFFAOYSA-N 432.358 4.164 5 20 IIBD O=C(N[C@H](Cc1ccccc1)c1ccccc1F)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 495180415 MKTZRLHZLDUKOZ-OAQYLSRUSA-N 437.475 4.261 5 20 IIBD CC(C)Oc1ccc(CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])c(C(F)(F)F)c1 497520373 BKMJKXBJVBCSPT-UHFFFAOYSA-N 432.420 4.416 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccc(C(=O)N2CCc3ccccc32)cc1 498689214 RWWOESDKRXJYAR-UHFFFAOYSA-N 430.464 4.157 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CC[C@@H](Oc2ccccc2Cl)C1 502271082 FBOWDFIZYNROMO-CYBMUJFWSA-N 444.793 4.483 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@H](Cn1ccccc1=O)c1ccccc1 504638156 VZSIJYQKDNXCQU-QGZVFWFLSA-N 446.385 4.338 5 20 IIBD CCOc1ccc([C@H](C)NCc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] 504900005 PMJURZOQUQFLLW-QRVBRYPASA-N 427.545 4.454 5 20 IIBD O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCN[C@@H](c2cccc(F)c2)C1 505476692 NMHZCACCQBMICB-JOCHJYFZSA-N 434.471 4.133 5 20 IIBD CS(=O)(=O)Cc1cccc(CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)c1 507915505 VNCAJJAAXSCBFH-UHFFFAOYSA-N 444.484 4.361 5 20 IIBD Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 508134615 BMEIREATLRDUDT-UHFFFAOYSA-N 445.426 4.040 5 20 IIBD Cc1c(Br)cc(C(=O)N[C@@H](c2ccccc2F)c2nccn2C)cc1[N+](=O)[O-] 509899192 NNGNXWQZICIXSK-KRWDZBQOSA-N 447.264 4.058 5 20 IIBD CC(=O)N(Cc1ccc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1)C1CC1 510053973 HVIRPEOPMXTTOC-UHFFFAOYSA-N 446.301 4.429 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccc(OCC(F)(F)F)cc2)c([N+](=O)[O-])c1 511091690 QMVSIMOSGBKUID-CYBMUJFWSA-N 441.406 4.004 5 20 IIBD COc1cc(CN2CCC[C@H](c3nccs3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F 513027594 MGXOGDFXLKAXRI-LBPRGKRZSA-N 431.436 4.381 5 20 IIBD Cc1c(Br)cc(C(=O)N[C@@H](C)[C@@H]2OCCc3sccc32)cc1[N+](=O)[O-] 515320513 QSTMLKOUAOFQGU-QFYYESIMSA-N 425.304 4.160 5 20 IIBD O=C(NCCSCc1cccc2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 518503615 UZBIWPOQPHALTG-UHFFFAOYSA-N 443.912 4.390 5 20 IIBD CCOc1cc(NC(=O)c2ccn(-c3cc(C)ccc3OC)n2)c([N+](=O)[O-])cc1OCC 519957662 MZZFYGAUFKFLTM-UHFFFAOYSA-N 440.456 4.147 5 20 IIBD O=C(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)c1cc2cc([N+](=O)[O-])ccc2s1 520098115 JRXHENMYDVQRIO-GOSISDBHSA-N 445.928 4.266 5 20 IIBD CCN(CC)CC1CCN(C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 521185384 VKLXNZAPNCLBTL-OALUTQOASA-N 430.593 4.271 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCc2ccc(-c3ccccc3)o2)ccc1[N+](=O)[O-] 522596112 OPQPCRXEPWRWFK-OAQYLSRUSA-N 433.464 4.084 5 20 IIBD COc1cc(OCC(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)ccc1[N+](=O)[O-] 523969458 PJOVWNCCWIAUSV-WJOKGBTCSA-N 446.525 4.202 5 20 IIBD COc1cc(C(=O)Nc2ccc(OCc3cccnc3)c(Cl)c2)cc([N+](=O)[O-])c1OC 531331684 GMLOWMMGXFEUMF-UHFFFAOYSA-N 443.843 4.492 5 20 IIBD C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 532228650 DWVNHORWVCQTDN-IRXDYDNUSA-N 447.495 4.310 5 20 IIBD Cc1ccc([C@H](C)NCc2ccc(OCCN3CCOCC3)c(Cl)c2)cc1[N+](=O)[O-] 532346662 YWIFNVOCNAQROE-KRWDZBQOSA-N 433.936 4.118 5 20 IIBD C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br 533436182 FPOQBUQDJRWIMI-TZMCWYRMSA-N 436.281 4.313 5 20 IIBD O=C(C1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1)N1CCc2ccccc21 533487504 DLHCEKFWLPZGGJ-UHFFFAOYSA-N 446.507 4.094 5 20 IIBD CC(C)(C)c1ccc(C(C)(C)CNC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 533747277 JSLWDIAIKTYWJC-UHFFFAOYSA-N 445.947 4.370 5 20 IIBD CC(C)[C@H](C)N(CC(F)(F)F)C(=O)c1cc(I)cc([N+](=O)[O-])c1 535037071 NLFMVUZAWLYASJ-VIFPVBQESA-N 444.191 4.248 5 20 IIBD O=C(N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 537207786 ILSRXOKYQHIWBI-OAQYLSRUSA-N 431.448 4.309 5 20 IIBD O=C(Nc1cccc(CN2CCCCC2=O)c1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 537246077 QZOPCRGAVXTWMK-UHFFFAOYSA-N 430.464 4.422 5 20 IIBD Cc1nc(-c2cccc(C(=O)NCCCNc3ncnc4ccc([N+](=O)[O-])cc34)c2)cs1 540501607 PMQMYMFWIGMQAU-UHFFFAOYSA-N 448.508 4.202 5 20 IIBD CCOc1ccc([C@@H](C)Nc2cccc(CS(=O)(=O)N[C@H](C)CC)c2)cc1[N+](=O)[O-] 540827475 XIVZXGBMFCVMFX-HZPDHXFCSA-N 435.546 4.385 5 20 IIBD CCOCCOc1ccc(Br)cc1NC(=O)NCc1cccc([N+](=O)[O-])c1 540912867 KRGTZYONVCVROE-UHFFFAOYSA-N 438.278 4.094 5 20 IIBD COc1ccc(C(=O)NCC(=O)Nc2ccccc2Oc2c(C)cccc2C)cc1[N+](=O)[O-] 541096008 LSUOQLSKKWSRLY-UHFFFAOYSA-N 449.463 4.381 5 20 IIBD Cc1c([N+](=O)[O-])cn(CC(=O)Nc2ccccc2-c2ccccc2)c(=O)c1Br 542217544 CJLIUQGUFYHNDV-UHFFFAOYSA-N 442.269 4.133 5 20 IIBD COc1ccc([C@H](Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c2ccccc2OC)cc1 543046879 QMTYQDKIJALZRY-IBGZPJMESA-N 448.522 4.279 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c1 543676132 QNJJBIOMGDCUQN-AWEZNQCLSA-N 433.461 4.060 5 20 IIBD C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCCc1ccc(Cl)cc1[N+](=O)[O-] 544042900 GABGORYSLLNRFN-CQSZACIVSA-N 444.919 4.146 5 20 IIBD COC(=O)CCCOc1ccc(CNc2ncc([N+](=O)[O-])c(C)c2Br)cc1 544393907 AOEOZXNDPIZGHQ-UHFFFAOYSA-N 438.278 4.005 5 20 IIBD COc1ccc(COc2ccc(-c3noc(CCNc4ccccc4[N+](=O)[O-])n3)cn2)cc1 546356348 OIZBLWOYAZDRDS-UHFFFAOYSA-N 447.451 4.282 5 20 IIBD COc1cc(Cc2noc([C@@H](C)Sc3ccc(NC(C)=O)cc3)n2)ccc1[N+](=O)[O-] 546490192 VJJKQSZWTWHXRC-GFCCVEGCSA-N 428.470 4.389 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CC[C@@H](N4CCCCC4)C3)n2CCc2ccccc2)c1 549546296 ZLIHBZNKMDEXCB-HSZRJFAPSA-N 446.555 4.161 5 20 IIBD COc1ccc(C2(CNC(=O)C(=O)Nc3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CCC2)cc1 551756135 KEUBSAJVNFGRBT-UHFFFAOYSA-N 439.512 4.078 5 20 IIBD CC(=O)N1CCN(c2ccc(-c3nc(C(C)(C)C4=CCCCC4)no3)cc2[N+](=O)[O-])CC1 562481109 KVMNHWRGOJLODT-UHFFFAOYSA-N 439.516 4.091 5 20 IIBD CC(C)[C@H](CNCc1cc(I)cc([N+](=O)[O-])c1)c1cccnc1 567549158 GCPQNXTYBSZGMU-KRWDZBQOSA-N 425.270 4.124 5 20 IIBD CCOc1cc(C(=O)NCC2(OC)CCC(c3ccccc3)CC2)c([N+](=O)[O-])cc1OC 570749694 SPBHFKICCLQPFC-UHFFFAOYSA-N 442.512 4.475 5 20 IIBD C[C@H](NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccc(OCC(F)(F)F)cc1 573030879 YYNRQRFCBBNACX-ZDUSSCGKSA-N 439.390 4.201 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 574077197 QBTGOHPCTOTVQR-SFHVURJKSA-N 447.369 4.255 5 20 IIBD CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 575939947 DHIDNSLEWAIAQV-UHFFFAOYSA-N 449.307 4.230 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ccccc1-c1nc2ccccc2[nH]1 582145860 XLRQZSICUFWMIZ-UHFFFAOYSA-N 449.854 4.160 5 20 IIBD COCCC[C@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])c1ccc(Cl)cc1 582982841 ZRYRNINXTCSXAX-OAHLLOKOSA-N 426.922 4.274 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 589063280 OGLABJMIJNQSQU-HUUCEWRRSA-N 428.470 4.411 5 20 IIBD COc1ccc(CSc2nnc(CN3CCCC3)n2-c2ccccc2)cc1[N+](=O)[O-] 603722133 KBLNMVPAIOHVBE-UHFFFAOYSA-N 425.514 4.072 5 20 IIBD COc1cc(CCNC(=O)N(Cc2ccccc2)Cc2ccco2)c([N+](=O)[O-])cc1OC 603802126 TVYVBNNRZBRFRO-UHFFFAOYSA-N 439.468 4.160 5 20 IIBD CCOc1cc(C(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c([N+](=O)[O-])cc1OC 608962441 FFMQBAPEULQNLS-LJQANCHMSA-N 438.839 4.008 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)N1CCCCC1 609792818 ZCLXNDBULPKPHC-HXUWFJFHSA-N 431.920 4.143 5 20 IIBD Cc1cnc(N2CCN(C(=O)c3ccc(SCCC(C)C)c([N+](=O)[O-])c3)CC2)s1 609880406 LRMFWNKVYTXZLT-UHFFFAOYSA-N 434.587 4.460 5 20 IIBD CC(=O)N[C@@H](C)CCc1ccc(C(=O)COc2ccc([N+](=O)[O-])cc2Br)cc1 609961847 MXGGOVDITLRZRW-ZDUSSCGKSA-N 449.301 4.076 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC(OCc2ccc(F)cc2)CC1 611262263 HZFXEUCJJYMCIJ-UHFFFAOYSA-N 437.265 4.318 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@H](CO)[C@@H](C)c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 611304101 VXQOQZKXSZKWEA-PNLZDCPESA-N 434.496 4.057 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCNCc2cn(Cc3ccccc3)c3ccccc23)cc1 612592315 VZJQTYPBMAOPSA-UHFFFAOYSA-N 449.532 4.161 5 20 IIBD COC1(CNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CCOCC1 613401294 RYRFGAQDDZQYPH-UHFFFAOYSA-N 436.917 4.325 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@]3(C2)C(=O)Nc2ccccc23)cc1OC 614584091 ZLBHIHLQSPWNFD-UPCLLVRISA-N 439.512 4.124 5 20 IIBD CC(=O)Nc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2F)c(C(F)(F)F)c1 618964646 FTGOWIZXXUNQNX-UHFFFAOYSA-N 431.367 4.442 5 20 IIBD CSc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727329075 BSEPLWAEKHFMEK-UHFFFAOYSA-N 425.432 4.298 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NC[C@H](O)c2ccccc2C)c([N+](=O)[O-])c1 732806210 ZZTLTNWEFPAMOY-QFIPXVFZSA-N 434.448 4.066 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)C[C@@H]1OCCc2ccccc21 734314494 NPPJACUDWKYZKZ-FQEVSTJZSA-N 436.468 4.086 5 20 IIBD Nn1c(SCc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1cccc(Br)c1 735414833 FNNFKGNAITXFKN-UHFFFAOYSA-N 440.710 4.275 5 20 IIBD CC(=O)Nc1ccc(S[C@H](C)C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 735442881 KWWDUYOTZQBRPY-CYBMUJFWSA-N 441.465 4.432 5 20 IIBD O=C(NCCSC(F)(F)F)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 736004673 NNVXFSMUXVUTQR-UHFFFAOYSA-N 429.207 4.070 5 20 IIBD O=C(OCc1nc(-c2cc(Br)cs2)no1)c1cc(Cl)cc([N+](=O)[O-])c1 736862984 HIIQSTWUTKBALK-UHFFFAOYSA-N 444.650 4.479 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccccc2C(F)(F)F)c(Br)c1 738403581 NFWTUMDBONKPIT-UHFFFAOYSA-N 426.166 4.144 5 20 IIBD C[C@H](OC(=O)Cc1csc(-c2ccoc2)n1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 738851903 VMOKNSBNNNUGRH-JTQLQIEISA-N 435.845 4.078 5 20 IIBD CCOC(=O)c1oc2ccccc2c1CNC(=O)c1ccc([N+](=O)[O-])cc1Br 739717923 XRONPOPAXISPJY-UHFFFAOYSA-N 447.241 4.210 5 20 IIBD COc1cc(N2CCC(OC(=O)c3ccc(OC4CCC4)cc3)CC2)ccc1[N+](=O)[O-] 744175239 QIWPKJKPZULFQZ-UHFFFAOYSA-N 426.469 4.361 5 20 IIBD O=C(OCc1ncc(-c2ccccc2F)o1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 744469677 BTEMNZJECMXZAU-UHFFFAOYSA-N 425.416 4.349 5 20 IIBD Cc1cc(=O)c(C(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)nn1-c1ccccc1 745345048 YLDJDUNGRZIOQX-UHFFFAOYSA-N 438.871 4.159 5 20 IIBD C[C@H]1CC[C@H](C)N1CC(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 746106787 QNNATTRFMKLABX-KBPBESRZSA-N 431.876 4.279 5 20 IIBD CCc1ccc(C(=O)Nc2cccnc2N2C(=O)O[C@H](C(F)(F)F)[C@H]2C)cc1[N+](=O)[O-] 746487641 OBDGTXXHCPMSQX-BMIGLBTASA-N 438.362 4.081 5 20 IIBD C[C@H](OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1nc2ccc(Cl)cc2n1C 750213080 FSNYZLLESFEXDF-LBPRGKRZSA-N 425.832 4.239 5 20 IIBD Cn1ccnc1Sc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1 751073496 HTPGGWTWHJKDAJ-UHFFFAOYSA-N 433.287 4.494 5 20 IIBD CC(C)(C)OC(=O)N(CC1CC1)C1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 751137594 FGHYGXGUKZVZKL-UHFFFAOYSA-N 429.521 4.014 5 20 IIBD Cc1nnc(Sc2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c(C)c2)s1 751201212 ZXQBCHIMLKOSDE-UHFFFAOYSA-N 431.455 4.375 5 20 IIBD O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 751650222 RZPSRADGEWCJQQ-UHFFFAOYSA-N 432.314 4.298 5 20 IIBD O=C(COC(=O)c1cc(Br)c(F)cc1F)Nc1cc([N+](=O)[O-])ccc1Cl 759027566 OSBFAKQWNNJDIN-UHFFFAOYSA-N 449.591 4.084 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc(Br)c(F)cc1F 759031041 YMOGGINRSVYYNY-UHFFFAOYSA-N 440.156 4.043 5 20 IIBD Cc1nnc([C@@H](C)NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 760091165 XVKXMRJVZRUGDJ-SNVBAGLBSA-N 445.888 4.151 5 20 IIBD Cc1ncc(-c2ccccc2)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 760784408 DWUJBXNYIBEMDH-KRWDZBQOSA-N 434.427 4.096 5 20 IIBD COc1cc(OCC(=O)Nc2cccc(CC[C@@H](O)c3ccccc3)c2)ccc1[N+](=O)[O-] 762990310 FQIXZFVVVRGBQA-JOCHJYFZSA-N 436.464 4.287 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CCC(O)(c3ccccc3Cl)CC2)c1Br 764914369 YIFFPFIRLWACCI-UHFFFAOYSA-N 426.698 4.202 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCCC(=O)c1ccc2c(c1)OCCO2 767011810 LIZVWUIDEFXHBK-UHFFFAOYSA-N 432.860 4.031 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@@H](Cc2ccc(F)c(F)c2F)C(C)=O)cc1SC 768677005 HQVRVMVMZFZYFV-AWEZNQCLSA-N 443.399 4.100 5 20 IIBD CCCN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1 769361579 OZGRROUXOGDXKL-UHFFFAOYSA-N 430.505 4.328 5 20 IIBD CN(CC(F)F)C1CCN(c2c([N+](=O)[O-])cnc3ccc(Br)cc23)CC1 771163151 KSKDKLQOVASFKJ-UHFFFAOYSA-N 429.265 4.071 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ccc(OC(F)F)cn2)cc1)c1cccc([N+](=O)[O-])c1 771936492 AZWFVYWDYUEKBA-UHFFFAOYSA-N 429.335 4.063 5 20 IIBD COc1ccc(-n2c(SC[C@H](O)c3ccc([N+](=O)[O-])cc3)nnc2-c2ccco2)cc1 776276018 FXXHJWTWBJNHJB-SFHVURJKSA-N 438.465 4.270 5 20 IIBD CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 781108140 SPVBGOAHYSUUQZ-KPKJPENVSA-N 425.485 4.261 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C(=O)Nc1cc(Cl)ccc1Cl 781392510 XSXAJZHRSBAJKY-SNVBAGLBSA-N 426.256 4.152 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(Nc2ccc(CC[C@@H](O)c3ccccc3)cc2)s1 782947894 NNXZPSIOQVKQJX-GOSISDBHSA-N 432.523 4.470 5 20 IIBD COc1ccc(CSCC(=O)OCc2ccc(-n3cccn3)cc2C)cc1[N+](=O)[O-] 784302196 BPNZXJZFGUUERM-UHFFFAOYSA-N 427.482 4.074 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(C)CCN(C(=O)OC(C)(C)C)CC1 784421674 OAZWSZDMHXPAAK-UHFFFAOYSA-N 437.562 4.474 5 20 IIBD Cc1nn(CN2CCC[C@@H]2c2nc(-c3ccccc3Br)no2)c(C)c1[N+](=O)[O-] 785516347 JPRTWIKSCFXYEU-OAHLLOKOSA-N 447.293 4.015 5 20 IIBD C[C@H](OC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)C(=O)c1ccccc1C(F)(F)F 789051463 NOFSNCKBZXBQKS-JTQLQIEISA-N 434.326 4.296 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=S)NCCc1ccc(F)cc1 789176697 ASKMLVJDEUZXGO-UHFFFAOYSA-N 443.504 4.112 5 20 IIBD O=C(O[C@H]1CCc2cccnc21)c1cc(C(=O)O[C@H]2CCc3cccnc32)cc([N+](=O)[O-])c1 789676334 RRHFKNXRPIWAEA-PMACEKPBSA-N 445.431 4.073 5 20 IIBD O=C(CCc1ccc2[nH]ccc2c1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791174129 VZVPNAXBDXRJHQ-UHFFFAOYSA-N 428.286 4.356 5 20 IIBD CCCOc1cccc(CC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c1 791174299 XRMDWTAGLTVLRM-UHFFFAOYSA-N 433.302 4.274 5 20 IIBD COC(=O)c1nc([C@@H]2CCCN2Cc2c(Br)cccc2[N+](=O)[O-])sc1C 793233302 AENANPLPKBXXKA-AWEZNQCLSA-N 440.319 4.246 5 20 IIBD COc1ccccc1[C@H]1CC[C@H](C)CN1C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 804323463 SVMXSNDQHSLQOR-HNAYVOBHSA-N 427.457 4.444 5 20 IIBD O=C(COC(=O)c1ccnc(-c2ccc(Cl)cc2)n1)Nc1ccc([N+](=O)[O-])cc1Cl 805659218 LVHKLLOLWMYXEX-UHFFFAOYSA-N 447.234 4.154 5 20 IIBD C[C@@H](OC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccc(SCC(=O)N(C)C)cc1 809074555 PYORFCIXGFSBQJ-ZIAGYGMSSA-N 434.489 4.322 5 20 IIBD Cc1sc2nc(CS[C@H](C)c3nc(CCC(C)(C)[N+](=O)[O-])no3)nc(O)c2c1C 812815533 OYGOUWAKERHULU-LLVKDONJSA-N 437.547 4.379 5 20 IIBD Cc1ccc(C(=O)NC2CCN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC2)s1 812954483 OJYWGGRMJKNWDL-UHFFFAOYSA-N 442.324 4.306 5 20 IIBD CCOc1ccc([C@@H](O)C2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OCC)CC2)cc1 812977019 RSMFGHFPMCPVSG-JOCHJYFZSA-N 443.500 4.370 5 20 IIBD CSc1cccc(C(=O)Nc2cc(C)c(F)cc2C(=O)NCC(F)(F)F)c1[N+](=O)[O-] 813288913 PDBIPXHUFHYADY-UHFFFAOYSA-N 445.394 4.309 5 20 IIBD Cc1cc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c(C(=O)NCC(F)(F)F)cc1F 813290201 XZHVMGUCFLPULO-UHFFFAOYSA-N 449.307 4.065 5 20 IIBD Cc1cc(Oc2ccc(NS(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)cc2)n[nH]1 821190680 FHHAJEBNGLWONY-UHFFFAOYSA-N 426.813 4.012 5 20 IIBD Cc1ccc(C)c(OCCC(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)c1 864244836 PZZILUAUIUDPBG-UHFFFAOYSA-N 438.484 4.468 5 20 IIBD Cc1cc(C(=O)NCc2nc(-c3cccnc3Oc3ccccc3)no2)ccc1[N+](=O)[O-] 904454849 WMAGZMRBTIFVSK-UHFFFAOYSA-N 431.408 4.071 5 20 IIBD COc1cc(-c2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)c([N+](=O)[O-])cc1OC(F)F 904764582 LBXDRVDZMZUQII-UHFFFAOYSA-N 444.391 4.015 5 20 IIBD COc1cccc(Cc2cnc(NS(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])s2)c1 913076746 YIQPBKKRCLULNR-UHFFFAOYSA-N 439.902 4.105 5 20 IIBD COc1cc(NC(=O)CCNc2ccccc2[N+](=O)[O-])ccc1NC(=O)OC(C)(C)C 916431182 FBJFHRPGFHCZHJ-UHFFFAOYSA-N 430.461 4.391 5 20 IIBD NC(=O)c1ccc(SCC(=O)Oc2ccc(Cl)c(C(F)(F)F)c2)c([N+](=O)[O-])c1 916561487 YHYXKCMPSVCWOA-UHFFFAOYSA-N 434.779 4.064 5 20 IIBD C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 916786029 LHVQOKMRKUXJTK-SNVBAGLBSA-N 449.337 4.028 5 20 IIBD CCN(CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccsc1 917121910 DHNYZLXRFULOBS-NRFANRHFSA-N 430.574 4.460 5 20 IIBD CN(Cc1ccn(-c2ccccc2)n1)C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 917489566 MHWANTHKSOLKHN-UHFFFAOYSA-N 447.417 4.260 5 20 IIBD Cc1ccn2cc(-c3ccc(NC(=O)Cn4ncc5ccc([N+](=O)[O-])cc54)cc3)nc2c1 918000362 PDCJVUQZFHNCHK-UHFFFAOYSA-N 426.436 4.206 5 20 IIBD Cc1c(-c2nnc(-c3ccc(F)cc3Br)o2)nnn1-c1cccc([N+](=O)[O-])c1 1117253302 HDBUJXNCBZRFQP-UHFFFAOYSA-N 445.208 4.103 5 20 IIBD COc1cccc2cc(CNC(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)oc12 1318225387 MHOFNGFGNZTTQE-UHFFFAOYSA-N 434.452 4.141 5 20 IIBD COc1ccc(NC(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 1344749392 OYSWZKANFMBVLL-UHFFFAOYSA-N 428.272 4.327 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@@]4(C)CC4(F)F)CCC3)cc2)ncc1[N+](=O)[O-] 1788767244 FURVEKQWTYTCBZ-HXUWFJFHSA-N 444.438 4.091 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3onc4ccccc34)CCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 1790186068 FZQWOFOPWPPYPU-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])o1)c1cc2cccc(F)c2s1 1792398501 CQBGXELOELMBFL-BTTYYORXSA-N 443.456 4.107 5 20 IIBD CC(C)C1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CSc2ccccc2[N+](=O)[O-])C3)CCC1 1803410867 NWSXWUNEVNBCPN-BCDXTJNWSA-N 445.585 4.151 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCC2(CCCN(C(=O)CC(C)(C)C)C2)CC1 1809042620 WHWVBKPTBTZCGJ-UHFFFAOYSA-N 433.524 4.323 5 20 IIBD CC[C@H](C)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])[nH]n1 1815048023 XHOOXKLYMGGIBA-XUBBYMEQSA-N 439.516 4.460 5 20 IIBD Cc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3CCCC3)n[nH]2)cc1[N+](=O)[O-] 1816679819 IYVUTYVUCKBDAB-LJQANCHMSA-N 439.516 4.051 5 20 IIBD C[C@H]1CC[C@H](C(=O)N2CC3(CCCN3C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C2)CC1 1845739878 UPDXJZBVMMMQHJ-WKILWMFISA-N 441.553 4.453 5 20 IIBD O=C(COC(=O)CCc1ncc(-c2ccccc2)o1)Nc1cc([N+](=O)[O-])ccc1Cl 11942387 OOWCGFHGKMIJRA-UHFFFAOYSA-N 429.816 4.018 5 20 IIBD Cc1c(Cl)cccc1NC(=O)[C@@H](C)OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 15683270 XMLQYXNQXVUMCH-CQSZACIVSA-N 431.876 4.341 5 20 IIBD O=C(NCCc1cccs1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 15788432 SDIAJCIUQDIMPT-UHFFFAOYSA-N 427.448 4.250 5 20 IIBD Cc1[nH]c(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)c1C(=O)OC(C)C 17726862 RMNVJMLZKUCHPH-ZDUSSCGKSA-N 442.428 4.073 5 20 IIBD O=C(COC(=O)CSc1ccc([N+](=O)[O-])cc1)N[C@H](c1ccccc1)c1cccs1 18357797 DHUZYVMRZQSIKE-OAQYLSRUSA-N 442.518 4.197 5 20 IIBD COc1cc(CNc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])ccn1 25249502 DYMMMJXNQLBMHQ-UHFFFAOYSA-N 442.497 4.028 5 20 IIBD CCCCN(CCCC)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 29497901 DXXZNCHFODCRRR-UHFFFAOYSA-N 433.530 4.438 5 20 IIBD COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 65124134 MZRYBXQAAYTHNC-UHFFFAOYSA-N 442.475 4.429 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2nc3cc(F)c(F)cc3s2)cc1[N+](=O)[O-] 109459739 GECNOLJTTBFKFW-UHFFFAOYSA-N 448.436 4.015 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(Oc3ccncc3)cc2)ccc1[N+](=O)[O-] 110318211 KVXCYYUNHUQSNM-QFIPXVFZSA-N 446.463 4.334 5 20 IIBD C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 111040727 SNDCOOASCZWUEI-HNNXBMFYSA-N 425.464 4.016 5 20 IIBD CCc1cc(N2CCCN(C(=O)c3ccc(F)cc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 301107098 UTLGROCQRCWXRF-UHFFFAOYSA-N 449.486 4.106 5 20 IIBD CS(=O)(=O)c1ccc(N2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)c([N+](=O)[O-])c1 301541903 CPXUMQZZRDGBJT-CYBMUJFWSA-N 445.324 4.353 5 20 IIBD CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 427455625 DCTPESYAFCKFNH-UHFFFAOYSA-N 436.468 4.353 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](CO)Cc1ccccc1C(F)(F)F 427556277 YXVGQXVFHXXJTL-KGLIPLIRSA-N 442.459 4.062 5 20 IIBD Cc1cc(OCC(=O)Nc2cccc(CN(C)Cc3cscn3)c2)ccc1[N+](=O)[O-] 430546420 XEVNBGYMVMMPOL-UHFFFAOYSA-N 426.498 4.009 5 20 IIBD Cc1ccc([C@@H](C)N2C(=O)CN(Cc3cccc(Br)c3)C2=O)cc1[N+](=O)[O-] 431942257 YXZLLTJIZURHHZ-CYBMUJFWSA-N 432.274 4.191 5 20 IIBD COc1cc(C(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)c([N+](=O)[O-])cc1OC 436447992 LRHXBRHVPYHGMO-OAHLLOKOSA-N 436.745 4.438 5 20 IIBD CCCCS(=O)(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 437242649 FHLLAXPYNXPSIB-UHFFFAOYSA-N 445.419 4.408 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(Cc1ccc(F)cc1F)C1CCCC1 437426433 JEZFJSXRXARVHL-UHFFFAOYSA-N 431.439 4.400 5 20 IIBD COC[C@H](C)Nc1ccccc1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 437589906 LJKAPUGYRGXRHT-HNNXBMFYSA-N 437.500 4.156 5 20 IIBD O=C(c1ccc(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1)N1CCCCC1 437929521 HWFBWHLAWRHLKL-UHFFFAOYSA-N 436.512 4.095 5 20 IIBD CCOc1cc(NC(=O)C(=O)Nc2ccc(OC(C)(C)C)cc2)c([N+](=O)[O-])cc1OCC 438776377 VIIJKNMJQCPTJQ-UHFFFAOYSA-N 445.472 4.147 5 20 IIBD Cc1cccnc1[C@@H](NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)C(C)C 439239713 SXNCAZSZDRGKON-INIZCTEOSA-N 442.335 4.045 5 20 IIBD C[C@@H](NC(=O)CN(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(Br)cc1 441227310 GAGRLQVFCNJLGL-CQSZACIVSA-N 432.318 4.199 5 20 IIBD CCOC(=O)CN(C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1ccc(F)cn1 443902475 RRYPPLNDXGVUSA-UHFFFAOYSA-N 438.415 4.082 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)NC1CCN(CCOc2ccc(F)cc2)CC1 443929015 NUHZUTGHQOXCKZ-UHFFFAOYSA-N 436.871 4.052 5 20 IIBD NC(=O)c1ccc(SCC(=O)Nc2cccnc2-c2ccc(Cl)s2)c([N+](=O)[O-])c1 446596171 YDYJPSMFGMVBMP-UHFFFAOYSA-N 448.913 4.201 5 20 IIBD CC(=O)Nc1cccnc1NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 460458781 PATFJUXIAQZCEY-UHFFFAOYSA-N 429.483 4.117 5 20 IIBD C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 461301227 LEWYQZHKTNYMPS-IFXJQAMLSA-N 427.432 4.032 5 20 IIBD Cc1cc(NCc2ccc(N3CCCS3(=O)=O)c(F)c2)c(C(F)(F)F)cc1[N+](=O)[O-] 461949033 PQFVBGFDGBFKJH-UHFFFAOYSA-N 447.410 4.213 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N(Cc1ccco1)c1ccccn1 462555318 WNXGIHVEOXUKLB-UHFFFAOYSA-N 428.253 4.285 5 20 IIBD O=C(Nc1cccc(I)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 463244307 WSYXAPRVGFIZIO-UHFFFAOYSA-N 436.127 4.471 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@H](C)c2nccs2)CC1 464323808 ZEJVOQIWUUWKRL-OAHLLOKOSA-N 434.587 4.463 5 20 IIBD CS(=O)(=O)c1cccc([C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c2ccccc2)c1 464357840 FDJATFSUPFKUGA-FQEVSTJZSA-N 444.896 4.171 5 20 IIBD C[C@H]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN1Cc1ccccc1 464842887 MWSIJTMPAMPUNF-IRXDYDNUSA-N 430.936 4.172 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccncc1OCC(F)(F)F 466826355 PPBITPBMCTXUKB-UHFFFAOYSA-N 426.395 4.051 5 20 IIBD CCOc1cc(C(=O)Nc2ccccc2CC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1OC 467123577 ZUGKAMUTLPNYGL-UHFFFAOYSA-N 430.457 4.139 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCO[C@@H](c2cccc(Cl)c2)C1 467169017 BNKZLGAQVIBOPB-MRXNPFEDSA-N 427.791 4.455 5 20 IIBD Cc1sc(S(=O)(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)cc1[N+](=O)[O-] 467418070 IIBUTBJHYFFEIW-AWEZNQCLSA-N 437.326 4.034 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H](CN(C)CC3CC3)C2)cc1 470238675 HWQHKXNUBQJOAV-SFHVURJKSA-N 439.512 4.200 5 20 IIBD CCOc1cc(C(=O)N2CCn3c(cc4c(Cl)cccc43)C2)c([N+](=O)[O-])cc1OC 470325936 BMNOLMKDMSQLHC-UHFFFAOYSA-N 429.860 4.266 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(CO)c1)C1Cc2ccccc2C1 470876387 SUAPABOBHWCDDH-UHFFFAOYSA-N 431.492 4.008 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])cc(Cl)c1=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 474345857 AHGTVMIWYJJJRR-UHFFFAOYSA-N 443.687 4.086 5 20 IIBD COc1ccc(Cl)cc1NC(=O)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 474756744 NMGHDVKJSPDVDM-UHFFFAOYSA-N 433.873 4.230 5 20 IIBD O=C(NC[C@@H]1CC[C@H](O)C1)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 476557434 ZSTPENBMFCPVGF-OCCSQVGLSA-N 429.523 4.247 5 20 IIBD COc1ccc(-c2csc(NC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)n2)cc1F 481276012 AAOGGWHPTSGJKX-UHFFFAOYSA-N 439.428 4.304 5 20 IIBD CCN([C@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC 481440246 DSUPFMNTPWXZJY-JOCHJYFZSA-N 441.509 4.107 5 20 IIBD COc1ccccc1-c1csc(C2CCN(C(=O)c3ccc([N+](=O)[O-])n3C)CC2)n1 481559764 GIRBXOHZFNQNIG-UHFFFAOYSA-N 426.498 4.085 5 20 IIBD Cc1c(CNC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cccc1[N+](=O)[O-] 485301711 DATYNXKRGSWMEW-FQEVSTJZSA-N 431.492 4.225 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl 485942816 GEVXCUHJONHKKM-UHFFFAOYSA-N 428.297 4.382 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@H](Cc2ccc(C)cc2)c2ccccn2)c(C)c([N+](=O)[O-])c1 486883903 RKFVRWVNVDYGLR-OAQYLSRUSA-N 448.479 4.499 5 20 IIBD Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c(C)c1 488094151 BOZPOKNLYWKORK-KXBFYZLASA-N 445.566 4.232 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 490823294 FBKYCIFBODWCKE-OAHLLOKOSA-N 435.402 4.218 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cc4c(cc3F)NC(=O)CC4)cc2[N+](=O)[O-])C1 492579858 BTFAUSRZPHGWBB-ZIAGYGMSSA-N 440.475 4.353 5 20 IIBD CN(C)[C@@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])Cc1ccccc1 492894143 RNJWHDIFPHIASA-OAQYLSRUSA-N 433.508 4.077 5 20 IIBD CC(C)S(=O)(=O)Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 497778938 QYILOSDUWXRBQD-UHFFFAOYSA-N 448.544 4.117 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CCC[C@@](C)(c3ccccc3)C2)ccc1[N+](=O)[O-] 499872001 ITXMNOABGJECEG-RCZVLFRGSA-N 435.524 4.088 5 20 IIBD Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 501367701 WQZXMZMSTPFRLA-HXUWFJFHSA-N 437.456 4.332 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCN[C@H](c4cccnc4)C3)cc2[N+](=O)[O-])cc1 505535219 ATEMLPLLIWKMCJ-FQEVSTJZSA-N 434.521 4.236 5 20 IIBD Cc1nc2sccn2c(=O)c1CCSc1ccc(Br)cc1[N+](=O)[O-] 505581461 IEJCCCVYOHFIGJ-UHFFFAOYSA-N 426.317 4.070 5 20 IIBD CCOc1cc(CN(C)C(=O)CSc2ccccc2[N+](=O)[O-])ccc1OC(F)F 506855474 BZTQIBOPABHRJV-UHFFFAOYSA-N 426.441 4.346 5 20 IIBD C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 507602527 QSRQMLFPHDZMSG-CTNGQTDRSA-N 425.532 4.106 5 20 IIBD CC(C)(C)c1ccc(Oc2ccc(CNCC(=O)NCC(F)(F)F)cc2[N+](=O)[O-])cc1 507912356 HANUGEPSGZIJNU-UHFFFAOYSA-N 439.434 4.453 5 20 IIBD CCOC(=O)CN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@H](C)c1cccc(Br)c1 508314892 GXNLVLNGPYGOJT-CQSZACIVSA-N 449.301 4.053 5 20 IIBD CN(c1ccccc1)c1ccc(CNCc2ccccc2Cn2cncn2)cc1[N+](=O)[O-] 508722096 BTDRNELPMMAEDO-UHFFFAOYSA-N 428.496 4.292 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1c(Cl)cccc1Cl)C1CC1 508959900 OLROTQLCKJZZKJ-UHFFFAOYSA-N 438.267 4.040 5 20 IIBD COc1cc(OC)c2cc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)[nH]c2c1OC 509729362 OWPXTFQDAIFLOC-UHFFFAOYSA-N 427.457 4.153 5 20 IIBD COc1cc(F)c([C@@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 510726209 VDDPZSIOMKUAPD-MNOVXSKESA-N 426.828 4.049 5 20 IIBD CC(C)n1c([C@H]2CCCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)nc2ccccc21 512267524 XLUZLVJLWLHYNE-AZUAARDMSA-N 438.528 4.145 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@H](c3ccco3)N3CCCC3)cc2[N+](=O)[O-])C1 512532025 ZUDNUIKZPIZFOB-JBYIUTFZSA-N 440.544 4.237 5 20 IIBD Cc1ccc(C)c(OCc2nnc(S[C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)o2)c1 517554719 CSOKRRRURBSZCP-SFHVURJKSA-N 440.481 4.071 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])NCC1CCN(Cc2ccccc2Cl)CC1 518036501 DWLZOWHUIKPIAQ-UHFFFAOYSA-N 431.920 4.046 5 20 IIBD C[C@H](Cc1ccsc1)NC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 518315420 CUQDJBUPJLMKPN-OAHLLOKOSA-N 437.521 4.314 5 20 IIBD O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N(Cc1c(F)cccc1F)C1CCCC1 518788836 LIQICAJNSQWTHV-UHFFFAOYSA-N 427.411 4.039 5 20 IIBD CCCCn1c(S[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)nc2ccccc2c1=O 520224140 OQZCIPHXQJSFSP-IBGZPJMESA-N 438.509 4.002 5 20 IIBD CCN(CC)[C@@H](CNC(=O)c1cc(OC)ccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 520447019 XWHXZLHYBUBFBY-IBGZPJMESA-N 439.434 4.435 5 20 IIBD Cn1c([C@@H]2CCCN2C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])nc2ccccc21 522637519 AYPDXHJAMOUNOZ-KRWDZBQOSA-N 428.876 4.268 5 20 IIBD CN1C(=O)CC[C@H](C(=O)N2CCc3c2cccc3[N+](=O)[O-])[C@@H]1c1ccc(C(F)(F)F)cc1 523164393 WTTBQSVAWXUCBX-JXFKEZNVSA-N 447.413 4.112 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCCN(C4CCCC4)CC3)cc2[N+](=O)[O-])C1 523392156 CQARVPFEQSFPNM-RTBURBONSA-N 428.577 4.168 5 20 IIBD O=C(NCc1ccc(-n2cnc3ccccc32)cc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 524467429 RFWSHKINRVJCPJ-UHFFFAOYSA-N 438.447 4.049 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N3CCC(OC(C)C)CC3)c([N+](=O)[O-])c2)c(C)c1 530914754 JVBWPILWKKUGIX-UHFFFAOYSA-N 447.557 4.406 5 20 IIBD O=C(c1cc(C2CC2)nc2ccc(Cl)cc12)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 530954055 LLSVDZRXAQARLI-UHFFFAOYSA-N 437.887 4.031 5 20 IIBD CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 532927075 HZDBRDLWEWNBEH-FUHWJXTLSA-N 435.267 4.042 5 20 IIBD C[C@@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccc(OCc2cccnc2)cc1 534268997 MIXVSLCVIXBLDO-QGZVFWFLSA-N 443.463 4.246 5 20 IIBD COc1ccccc1[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccccn1 535556925 WQECHKWAYCKNLJ-QFIPXVFZSA-N 441.871 4.327 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@@H]3CCCOc4cc(F)ccc43)cc2)c(C)c1[N+](=O)[O-] 537486159 KZAGRUUKXMWREO-HXUWFJFHSA-N 438.459 4.239 5 20 IIBD C[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cccc(OCc2ccccn2)c1 538153387 SLYQAYKVFYIXIN-INIZCTEOSA-N 431.452 4.470 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(Sc3nncn3C)c(Cl)c2)c1 539519003 NQOJORZDINMRSH-UHFFFAOYSA-N 447.904 4.244 5 20 IIBD CCOc1ccccc1-c1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 540061252 AJPWPMWUXNDQJM-UHFFFAOYSA-N 432.480 4.018 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCC(=O)Nc1cc(Cl)ccc1Cl 541268780 BGUWWVBEANTTMJ-UHFFFAOYSA-N 448.715 4.402 5 20 IIBD COc1ccc(C(=O)NCC(=O)N(C)[C@@H](C)c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] 542022608 XRXDSKHVHGJLRI-KRWDZBQOSA-N 447.491 4.220 5 20 IIBD C[C@@H](C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1)c1ccc([N+](=O)[O-])cc1F 542606745 ORRZCWLQULUGAS-KZULUSFZSA-N 437.265 4.200 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3cc(Br)cc(Br)c3)n2)nc1 545786719 ZRAJAHFVWKYJAP-UHFFFAOYSA-N 440.051 4.156 5 20 IIBD CC(C)NC(=O)c1ccc(N[C@H](c2ccc(Cl)cc2)c2ccn(C)n2)c([N+](=O)[O-])c1 545871148 SXCJPKVTBSULPT-HXUWFJFHSA-N 427.892 4.321 5 20 IIBD Cc1cc(N2CCC(OCCN3C[C@H](C)O[C@H](C)C3)CC2)c([N+](=O)[O-])cc1C(F)(F)F 549139475 XSSDKQCCQWVNRH-IYBDPMFKSA-N 445.482 4.017 5 20 IIBD O=C(NCc1ccccn1)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c1 549802139 SNMGIINXRGAVQH-UHFFFAOYSA-N 444.369 4.191 5 20 IIBD O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC2(CCN(Cc3ccccc3)CC2)C1 552200340 AHXCORIDAFVKKX-UHFFFAOYSA-N 434.540 4.297 5 20 IIBD COc1c(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc(Cl)cc1C(=O)N(C)C 552807963 CULLAMUQAROGIF-NSHDSACASA-N 437.905 4.078 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CN3CCCC[C@H]3c3nnc([C@H]4CCCO4)o3)co2)cc1 554276000 KYPQXJLQJRCBJR-ZWKOTPCHSA-N 425.445 4.212 5 20 IIBD COc1ccccc1Cc1nnc(S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)o1 555922348 VEQWOVWLFRYWNN-GFCCVEGCSA-N 439.453 4.481 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1C[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 557225792 NISSYCLRYXNMHI-IAGOWNOFSA-N 433.430 4.208 5 20 IIBD Cc1cc(N(Cc2ccc(-n3cncn3)cc2)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 558783669 AMBJNORAYIQUTF-UHFFFAOYSA-N 427.468 4.110 5 20 IIBD CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)c3ccc(SCCC(C)C)c([N+](=O)[O-])c3)[C@H]2C1 561753410 RAMZKZYRPPTXHX-GBESFXJTSA-N 433.574 4.110 5 20 IIBD CC(=O)N[C@@H]1CC[C@H](C(F)(F)F)N(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 561963544 KPIGPRWNXUWMOH-FZKQIMNGSA-N 427.448 4.355 5 20 IIBD CCOC(=O)c1cnn(C2CCN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])CC2)c1C 571590093 JKTWWFLQAQYCNP-UHFFFAOYSA-N 427.288 4.425 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1C[C@@H]2CCCCN2c2ccccc21 574428649 BQARNCKMNRAWGF-INIZCTEOSA-N 430.302 4.306 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](Cc2ccccc2)C(F)(F)F)cc1OC 581162862 INKRFIWHCHGGCN-CQSZACIVSA-N 426.391 4.153 5 20 IIBD COc1cc(CNc2ccc(C(F)(F)F)nn2)c([N+](=O)[O-])cc1OCc1ccccc1 581640498 UKWCLRUTFIWZHD-UHFFFAOYSA-N 434.374 4.603 5 20 IIBD O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 585764862 TZYUSCOIGBYPSM-JOCHJYFZSA-N 439.487 4.273 5 20 IIBD COc1cc(CCNC(=O)Nc2ccc(Br)cc2C)c([N+](=O)[O-])cc1OC 603648736 NBIXIHWOCSSLJP-UHFFFAOYSA-N 438.278 4.047 5 20 IIBD CCOc1cc(NC(=O)N(CC)C[C@@H]2COc3ccccc3O2)c([N+](=O)[O-])cc1OCC 603651229 BKXAAOCSUZPFND-OAHLLOKOSA-N 445.472 4.086 5 20 IIBD CCOc1cc(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)c([N+](=O)[O-])cc1OCC 603651630 WOUFFDYGNPHYPL-FQEVSTJZSA-N 442.516 4.351 5 20 IIBD O=C(Cn1cc(Br)c([N+](=O)[O-])n1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 603948290 NFGPGNOYGCAIJV-KRWDZBQOSA-N 449.692 4.113 5 20 IIBD CCOc1ccccc1CN(C)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 604078166 QBSRPZYSRSKZEE-UHFFFAOYSA-N 440.422 4.266 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 604448145 RAMBPYWFZZKVHX-SNVBAGLBSA-N 426.256 4.009 5 20 IIBD CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccc([N+](=O)[O-])c(OC)c1 604565997 FBQYIGJBRPHMJY-UHFFFAOYSA-N 440.283 4.401 5 20 IIBD Cc1cc(Sc2ncccn2)ccc1NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 608895552 SXTOAZIQDHVQRB-UHFFFAOYSA-N 446.492 4.497 5 20 IIBD O=C(Nc1cccc(CN2CCCCC2=O)c1)c1ccc([N+](=O)[O-])cc1Br 610042374 KKLCUVCPHJDIQT-UHFFFAOYSA-N 432.274 4.122 5 20 IIBD O=C(NC[C@H]1CCCN(Cc2cccs2)C1)c1ccc([N+](=O)[O-])cc1Br 610062765 ZBFNEMMNWXZRQD-CYBMUJFWSA-N 438.347 4.061 5 20 IIBD Cc1cc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)ccc1C(=O)N(C)C 610122570 DGRRBEFNLMNFMO-INIZCTEOSA-N 447.495 4.425 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@H](c1ccccc1)N1CCSCC1 610150662 FXVYOXCWVSVRON-IBGZPJMESA-N 440.550 4.447 5 20 IIBD COc1cc(C(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)c([N+](=O)[O-])cc1OC(F)F 610184314 QRQCTICVMKAGQT-UHFFFAOYSA-N 446.366 4.348 5 20 IIBD Cc1cc(C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)ccc1[N+](=O)[O-] 610184574 YKSHPENOVPQXIO-UHFFFAOYSA-N 429.274 4.357 5 20 IIBD COc1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])cn2C)c2ccccc2Cl)c(OC)c1 610305866 LWSTUPRDZFJKGN-FQEVSTJZSA-N 429.860 4.123 5 20 IIBD O=C(Nc1ccc(Oc2cccnc2)nc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 611168032 DABANLGISRYKHC-UHFFFAOYSA-N 434.330 4.371 5 20 IIBD CCOC(=O)CC[C@@H]1CCCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 618588008 KMLPOSQAXVTONB-NSHDSACASA-N 425.354 4.204 5 20 IIBD Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 619137645 MPPMFYFWZYURQY-UHFFFAOYSA-N 437.200 4.288 5 20 IIBD COc1cc([C@@H](C)NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])ccc1OCc1ccncc1 727707659 BMQMMOKEXPCWLO-CYBMUJFWSA-N 443.406 4.347 5 20 IIBD O=C1C[C@H](c2cccc(F)c2)CN1CN(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 728196933 YSMUXAPRWVQBRQ-INIZCTEOSA-N 425.382 4.072 5 20 IIBD O=C(CCCOc1ccc(Cl)cc1)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730705623 QYKLAVQALUIBMN-QGZVFWFLSA-N 446.887 4.255 5 20 IIBD Cc1c(COC(=O)c2ccccc2CS(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] 731260032 HUYKWSJUWOKQJV-UHFFFAOYSA-N 425.462 4.234 5 20 IIBD CN(C(=O)COC(=O)c1ccc([N+](=O)[O-])c(F)c1)[C@@H](c1ccccc1)c1ccc(F)cc1 731517260 OVCXDARAFHIBJZ-QFIPXVFZSA-N 440.402 4.278 5 20 IIBD O=C(Oc1cccc(Oc2ccccn2)c1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 732495202 UHUHZTXTPXELFR-MRXNPFEDSA-N 439.449 4.054 5 20 IIBD CC(=O)N1CCN(c2ccc(C(=O)O[C@H](C)c3c(C)cc(C)cc3C)cc2[N+](=O)[O-])CC1 733399096 ACGMHALMOBIHRD-GOSISDBHSA-N 439.512 4.107 5 20 IIBD O=C(NCc1ccccc1)c1ccccc1NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 735270151 MSKTTZWSZLWDMF-UHFFFAOYSA-N 442.431 4.031 5 20 IIBD Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)OC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 735354068 GYOJQQUCTSJCCS-CQSZACIVSA-N 437.452 4.464 5 20 IIBD C[C@@H](OC(=O)c1csc(Nc2ccccn2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 736897761 HLCHYOCPWVPDFV-SNVBAGLBSA-N 447.860 4.027 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])ccc1Br)[C@@H](c1cccc(F)c1)c1cnn(C)c1 737533425 WZYCNVGXXCCYSW-SFHVURJKSA-N 447.264 4.092 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)Cc3ccc(CN(C)C)cc3)cc2[N+](=O)[O-])C1 738516448 AKWBPHNCENZQMP-RTBURBONSA-N 438.572 4.411 5 20 IIBD Cc1ccc(NCCCNC(=O)N[C@@H](c2ccccc2)C2CCOCC2)c([N+](=O)[O-])c1 740062490 WDHBDNUPYNZNQH-QFIPXVFZSA-N 426.517 4.172 5 20 IIBD C[C@H](OC(=O)c1cccc(C(F)(F)F)c1N)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 741004741 ZGOBQZSQBZGKGD-QMMMGPOBSA-N 431.754 4.033 5 20 IIBD C[C@@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)Oc1cccc(Br)c1 742424565 KNUODFIWHTYAKA-LBPRGKRZSA-N 436.262 4.193 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)OCCSc2ccc(Cl)cc2)ccc1[N+](=O)[O-] 744927439 LTZRYWSZSWBSRR-IBGZPJMESA-N 448.928 4.497 5 20 IIBD O=C(COC(=O)[C@H]1SCCc2sccc21)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 745635814 IBTGPEKCSVAOAD-HNNXBMFYSA-N 446.428 4.187 5 20 IIBD Cc1cc(C(=O)NC2CCCC2)ccc1NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] 751273173 WSHYEIVBXNILJF-UHFFFAOYSA-N 437.905 4.030 5 20 IIBD COc1c([N+](=O)[O-])cc(N[C@@H](C)C[C@@H](O)c2cccs2)c([N+](=O)[O-])c1Br 751943847 YXGGRQCRJDDFFM-GZMMTYOYSA-N 446.279 4.260 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1I)N(CCC(F)(F)F)CC1CC1 752478710 CVHRVAZVOJWCIK-UHFFFAOYSA-N 442.175 4.004 5 20 IIBD CC(C)n1ncc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1-c1ccccc1 753617911 SNJQIUBIZHLPST-UHFFFAOYSA-N 442.859 4.488 5 20 IIBD COC(=O)c1cc(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)c(C)c([N+](=O)[O-])c1 754615806 RCUIAXJFXUHPSJ-UHFFFAOYSA-N 428.832 4.090 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2cccc(-c3ccccn3)c2C)c([N+](=O)[O-])c1 755012203 BCWPHDJEKANEPP-UHFFFAOYSA-N 435.436 4.159 5 20 IIBD O=C(NC[C@H]1SCCc2ccccc21)c1cc(F)cc([N+](=O)[O-])c1Br 755017155 NMOBIAZCTHKAOQ-OAHLLOKOSA-N 425.279 4.257 5 20 IIBD Cc1ccc(OS(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)cc1[N+](=O)[O-] 755288803 VYIGNRKDMAMFGI-UHFFFAOYSA-N 437.367 4.088 5 20 IIBD O=c1c(Cl)c(NCc2cc([N+](=O)[O-])ccc2Cl)cnn1-c1ccc(F)cc1F 756975436 YYGVYDNHYFZPLE-UHFFFAOYSA-N 427.194 4.338 5 20 IIBD CC(=O)Nc1cc(C(=O)O[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc(C(F)(F)F)c1 761282815 KMQIHXUVSZRVJD-CVEARBPZSA-N 440.378 4.109 5 20 IIBD C[C@@H](OC(=O)CC1CCSCC1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 762014149 IKDPSTREKXDHHA-GFCCVEGCSA-N 435.527 4.122 5 20 IIBD C[C@H](C(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1)c1cccc([N+](=O)[O-])c1 762337491 AHQQFCKCFSRJGC-KRWDZBQOSA-N 431.533 4.338 5 20 IIBD COC(=O)c1cc(C(=O)N2CCCc3cc(N4CCCC[C@@H]4C)ccc32)cc([N+](=O)[O-])c1 763183826 HXVYWIVSSWUANJ-INIZCTEOSA-N 437.496 4.353 5 20 IIBD CC(C)(C)c1ccc(C(=O)O[C@H](C(N)=O)c2cccc(Br)c2)cc1[N+](=O)[O-] 763633074 VORCQIWRDMRSHJ-INIZCTEOSA-N 435.274 4.038 5 20 IIBD Cc1cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c(C)n1-c1nccs1 766218954 BMJRCNOUJPVTIN-UHFFFAOYSA-N 436.449 4.047 5 20 IIBD Cc1cc(-c2ccccc2)ccc1NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 766400633 UFNQTICYTRKSFE-UHFFFAOYSA-N 429.432 4.476 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCc2nnc(-c3ccc(Cl)cc3)n2C)cc1SC 770367687 WPENOLYMESFFPB-UHFFFAOYSA-N 448.888 4.131 5 20 IIBD Cc1cc(C)c(NC(=O)COC(=O)c2sc(Br)cc2[N+](=O)[O-])c(C)c1 773598880 OUDORHLKAGNSEC-UHFFFAOYSA-N 427.276 4.140 5 20 IIBD O=C(OCc1ccc(Oc2ccccc2)nn1)c1sc(Br)cc1[N+](=O)[O-] 773598991 PXBCJNBNRUCLAC-UHFFFAOYSA-N 436.243 4.358 5 20 IIBD COc1cc(/C=C(/C)c2cnccn2)ccc1OS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 774133675 GJUSKKDGYSYRBY-GDNBJRDFSA-N 441.465 4.030 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1Nc1ccc(N2CCOCC2)c(F)c1 774658292 IJCYYDLSTVFMCQ-UHFFFAOYSA-N 436.312 4.363 5 20 IIBD COc1cc(COC(=O)c2ccc(N3CCC(C)=N3)cc2)c([N+](=O)[O-])cc1OCC(F)F 780057898 AAZKMWGSTWSDLU-UHFFFAOYSA-N 449.410 4.190 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(Oc2ccc(F)cc2)cn1 781649370 IILDCRMIYLIPNS-UHFFFAOYSA-N 426.360 4.401 5 20 IIBD CC1=C(C(=O)N(C)C)[C@@H](c2ccc([N+](=O)[O-])s2)NC(=S)N1c1cc(C)cc(C)c1 782244720 KDMNEOILEFIKQK-GOSISDBHSA-N 430.555 4.071 5 20 IIBD CC1=C(C(=O)N(C)C)[C@H](c2ccc([N+](=O)[O-])s2)NC(=S)N1c1ccc(C)c(C)c1 782246374 SSEHEXMMYDAZLP-SFHVURJKSA-N 430.555 4.071 5 20 IIBD O=C(Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 782850459 YFINGWROZQYZJW-UHFFFAOYSA-N 438.352 4.243 5 20 IIBD Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)cc12 784625883 KNBJVQWAJMQLIG-UHFFFAOYSA-N 439.424 4.482 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)NCc2cccc3ccccc23)cc1[N+](=O)[O-] 784693483 PQSYPMPQMIWFGW-UHFFFAOYSA-N 442.269 4.074 5 20 IIBD O=C(OCc1ccc(Cl)nc1C(F)(F)F)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 785677007 ZVDHIIMEXXVUSG-UHFFFAOYSA-N 426.738 4.205 5 20 IIBD O=C(Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1cccc([N+](=O)[O-])c1Br 799853080 INXGCSBFWAOEQS-IAGOWNOFSA-N 435.274 4.292 5 20 IIBD CCOc1cccc2cc([C@H](C)NC(=O)C(=O)Nc3c(F)ccc([N+](=O)[O-])c3C)oc12 800595478 FWQTUQDUMFFUFT-LBPRGKRZSA-N 429.404 4.003 5 20 IIBD COc1ccccc1Nc1nn(CN(C)CCc2cccc([N+](=O)[O-])c2)c(=S)s1 800866056 QOEZYWASMHESQD-UHFFFAOYSA-N 431.543 4.466 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1CN1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 801543775 MILXEHGTGYUIHA-UHFFFAOYSA-N 440.418 4.376 5 20 IIBD O=C(NCc1ccncc1OCc1ccccc1)c1ccc(Br)c([N+](=O)[O-])c1 803400331 DIZGXXCZWATMRX-UHFFFAOYSA-N 442.269 4.261 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1cncc(C(F)(F)F)c1 807990960 GTHMBEKWDYBDGH-UHFFFAOYSA-N 435.362 4.109 5 20 IIBD COc1c(C(=O)O[C@@H](C)c2ccc(S[C@@H]3CCCCNC3=O)cc2)cccc1[N+](=O)[O-] 809049660 ZSYLGMHNSJNZNU-IFXJQAMLSA-N 444.509 4.282 5 20 IIBD COc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)nc1Cl 809429406 SVMFZMWJCCGQLV-UHFFFAOYSA-N 425.626 4.055 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)NCc2ncc(-c3ccccc3)o2)c(Cl)cc1Cl 809807656 HNQGTJSOZFSHPY-UHFFFAOYSA-N 428.253 4.035 5 20 IIBD C[C@H](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccc(OCC(=O)NC2CC2)cc1 809970790 MHXIKUUTJUDACO-LBPRGKRZSA-N 438.311 4.410 5 20 IIBD COCCOc1ccc(NCc2cc(I)cc([N+](=O)[O-])c2)c(C)c1 810144900 KSKIELFAROMACM-UHFFFAOYSA-N 442.253 4.145 5 20 IIBD CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811085350 JRPVISILOMSRME-LLVKDONJSA-N 443.230 4.493 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OC[C@H]1CCN(c2ccccc2Cl)C1 811130735 NSYPVJHMXBQJKR-AWEZNQCLSA-N 433.848 4.159 5 20 IIBD CC1(NC(=O)OC(C)(C)C)CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 816336632 LJHPUTAEAUIAKU-UHFFFAOYSA-N 431.411 4.133 5 20 IIBD Cc1ccc(NC(=O)CCCCCn2c(S)nc3ccccc3c2=O)cc1[N+](=O)[O-] 843013103 BTLHMRCOVIYIAP-UHFFFAOYSA-N 426.498 4.101 5 20 IIBD Cc1cccc(NC(=O)[C@@H](OC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C(C)C)c1C 877866864 NMWOUVNHJUAZTC-NRFANRHFSA-N 436.468 4.217 5 20 IIBD Cc1ccc(-n2c(SCCOc3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)nc1 915792842 XVZAVLNGFNNIDF-UHFFFAOYSA-N 434.477 4.168 5 20 IIBD Cc1cc(C(=O)COC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c(C)n1CC(F)(F)F 916523180 MWWHCVWMVSYSIY-ZDUSSCGKSA-N 444.431 4.482 5 20 IIBD C[C@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(=O)Nc1ccccc1Br 917263210 NSJUDWQSVNPCPJ-JTQLQIEISA-N 433.214 4.288 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@@H](C)c1cccc(Cl)c1 918765324 OXGIVIHVWPFGLS-UGSOOPFHSA-N 436.917 4.404 5 20 IIBD CCC[C@@H](NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)c1ccccc1 919225414 DXNOBHYQKKPSAR-KBXCAEBGSA-N 429.429 4.014 5 20 IIBD C[C@@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)N(c1nccs1)C1CCCCC1 919514647 QCDSLIFUEQDNJR-CYBMUJFWSA-N 442.497 4.444 5 20 IIBD O=C(NC1(c2cccc(Br)c2)CCOCC1)c1cc([N+](=O)[O-])ccc1Cl 920016748 GMOCKIZCIODKAI-UHFFFAOYSA-N 439.693 4.446 5 20 IIBD COc1ccc([C@@H](NC(=O)c2cc(C)ccc2[N+](=O)[O-])c2ccc(OC)cc2OC)cc1 1318692652 SMOOKWXDRVKRIJ-HSZRJFAPSA-N 436.464 4.448 5 20 IIBD CNC(=O)Cc1ccccc1NCc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 1319841692 ROUPOCOINQWSSZ-UHFFFAOYSA-N 435.480 4.083 5 20 IIBD CCN1CCN(C(=O)CC2CCN(C(=O)c3c4ccccc4cc4ccccc34)CC2)CC1 1322235606 KIFSKOXWKXKXLS-UHFFFAOYSA-N 443.591 4.399 5 20 IIBD COc1cc(CSCc2nccn2CC(F)(F)F)c([N+](=O)[O-])cc1OC(F)F 1323241226 SKOLIGGZQMRVGC-UHFFFAOYSA-N 427.351 4.397 5 20 IIBD Cc1ccc(/C(O)=C(/C(=S)NCC2CCC2)[n+]2c(C)ccc(O)c2Cl)cc1[N+](=O)[O-] 1325851762 FQSAFNCOUZZJCV-UHFFFAOYSA-O 448.952 4.459 5 20 IIBD Cc1ccc2[nH]c(C(=O)OC[C@@H]3CCCN3C(=O)c3ccccc3[N+](=O)[O-])c(Cl)c2c1 1342558477 GPUQKGXAUXYOIA-AWEZNQCLSA-N 441.871 4.500 5 20 IIBD Cc1ccc(-c2nnc(N(Cc3cccc([N+](=O)[O-])c3)C3CC3)n2C[C@H]2CCOC2)cc1 1346329027 WCPWVWNLMHSVNO-LJQANCHMSA-N 433.512 4.367 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)NCCc2coc(-c3ccccc3)n2)c(Cl)cc1Cl 1347276141 RTIZGSAHMPSSBH-UHFFFAOYSA-N 442.280 4.078 5 20 IIBD CC(C)(C)CC(=O)NC1(c2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc2)CCC1 1790754779 CNMFNNMPZLKLKX-UHFFFAOYSA-N 425.485 4.484 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)Nc1ccc(C2(NC(=O)C(C)(F)F)CCC2)cc1 1790805683 AITQSVCLJRUNAC-UHFFFAOYSA-N 433.411 4.012 5 20 IIBD CCCCC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc(OC)cc1[N+](=O)[O-])C2 1801714848 NSXFHPYPRZNSLY-FFGOWVMKSA-N 445.560 4.001 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC[C@H](C)CC1 1803221367 NHXIMCOSODNOST-FIIAMQOCSA-N 431.508 4.120 5 20 IIBD CC(C)NC(=O)COC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 3481036 GZHCOWGZBPTUHJ-UHFFFAOYSA-N 442.415 4.446 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3nc4c(s3)C[C@@H](C)CC4)cc2)c(C)c1[N+](=O)[O-] 11448347 DMVSWQBMPFVGPC-LBPRGKRZSA-N 425.514 4.290 5 20 IIBD COc1ccccc1CN(Cc1cccs1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 16015041 YIOKJVMLJJVMPQ-UHFFFAOYSA-N 427.438 4.416 5 20 IIBD CCCNc1nnc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)s1 17886591 VGHOWFJCIJAETN-MRVPVSSYSA-N 435.453 4.406 5 20 IIBD O=C(N[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 22587780 CLVNYSOQMZNBIW-NRFANRHFSA-N 433.855 4.348 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCC([C@@H](O)c4ccccc4)CC3)cc2[N+](=O)[O-])CC1 23384568 KOWWXJYOGDOEFK-DEOSSOPVSA-N 437.540 4.417 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)NCc1ccccc1 25667025 SASJRIYEIXKZEW-UHFFFAOYSA-N 432.480 4.356 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCSc1nnc(-c2ccc(Cl)cc2)o1 26368391 UPDXQZFASCKRGL-UHFFFAOYSA-N 434.861 4.428 5 20 IIBD C[C@@H](OC(=O)COc1cccc(C(F)(F)F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 28673194 WVJMRCIUBRBVEB-SNVBAGLBSA-N 446.765 4.216 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)COc1ccccc1Cc1ccccc1 28786762 NHVGSWPRGRWCDH-UHFFFAOYSA-N 434.448 4.055 5 20 IIBD CCN(CC)[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)Cc1ccccc1 37176153 WTMJJWWEIKODKS-QFIPXVFZSA-N 441.575 4.224 5 20 IIBD Cn1ncc2c1CCC[C@@H]2NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 106076263 APDCHZQFMWWLAS-SFHVURJKSA-N 439.903 4.401 5 20 IIBD COc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccccc2C(F)(F)F)cc1[N+](=O)[O-] 110855048 FOYUEQOJAQCJRO-HNNXBMFYSA-N 430.404 4.148 5 20 IIBD C[C@H](NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1nnnn1-c1ccccc1 237556604 CIWPWOIDZSXOMZ-HNNXBMFYSA-N 434.431 4.353 5 20 IIBD CSc1nc2ncnc(Oc3cc([N+](=O)[O-])ccc3I)c2s1 302569627 YJIBQINUABUVFP-UHFFFAOYSA-N 446.251 4.113 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC(N2CCc3ccccc32)CC1 410287127 IYWJJAWZZJZWDI-UHFFFAOYSA-N 434.521 4.386 5 20 IIBD COc1cccc(Cc2nnc(NC(=O)c3cc(SC)c(OC)cc3[N+](=O)[O-])s2)c1 410296314 KYHPGFBDJUCILP-UHFFFAOYSA-N 446.510 4.029 5 20 IIBD CC[C@H](C)Oc1cc(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)ccn1 426192728 CIDISHVLVAJMNS-LBPRGKRZSA-N 426.395 4.185 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1CCC(O)(C(F)F)CC1 426231491 INOGRAHHQKOTIH-KRWDZBQOSA-N 439.846 4.020 5 20 IIBD C[C@@H]1[C@H](CO)CCN1C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 427824338 FKLLWOOGQSROLK-YYXRTCSZSA-N 437.521 4.365 5 20 IIBD C[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1nc(Cc2ccccc2)no1 429115735 OXDXDXCCGLMWJU-NSHDSACASA-N 433.371 4.053 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H]2Cc3cccc(O)c3C2)cc1[N+](=O)[O-] 430250561 AILJQFDKNAHUPX-INIZCTEOSA-N 448.500 4.151 5 20 IIBD Cc1cc(=O)n(C)cc1NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 430628972 VYAMJEOPADYZAU-UHFFFAOYSA-N 426.860 4.120 5 20 IIBD C[C@H]1C[C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCN1Cc1ccccc1 430656311 FFWMNICTWKDIMV-RBBKRZOGSA-N 439.559 4.324 5 20 IIBD C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 434594780 IMXPQVBFRSTHQV-NEPJUHHUSA-N 436.295 4.166 5 20 IIBD C[C@@H]1C[C@@H]1[C@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 435820867 ZGLLITACQMVWHI-PTPDTQQLSA-N 441.871 4.029 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 436226494 IMNYTTQNSQKBLO-SJORKVTESA-N 433.574 4.254 5 20 IIBD O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N1CCC(c2ccccc2Br)CC1 440050582 HSJWKOQXANRLDW-UHFFFAOYSA-N 429.274 4.253 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N(Cc1cc(F)ccc1F)C1CCCC1 441907820 IJMHZQDRYSRDSQ-UHFFFAOYSA-N 437.830 4.436 5 20 IIBD C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 443586282 USKQRZPSPRWLDD-OAHLLOKOSA-N 440.887 4.422 5 20 IIBD O=C(Nc1ccccc1Nc1ccc(F)cc1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 444352863 PZQZRYGUPFIIMY-UHFFFAOYSA-N 448.410 4.383 5 20 IIBD COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)nc1 444494397 QJDODDJJZDKEQF-UHFFFAOYSA-N 426.860 4.194 5 20 IIBD COc1ccccc1-c1nc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)n[nH]1 444642498 AQJXOGWFDHOFPA-UHFFFAOYSA-N 447.401 4.006 5 20 IIBD C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 444713977 IKEMDENOCPVOKU-VBKZILBWSA-N 431.876 4.008 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(OC)c(Oc2ccc(C)nn2)c1 444918636 HSEKRAHSHRLUDP-UHFFFAOYSA-N 425.401 4.147 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H](OCCCc2ccccc2)C1 445923213 HNWGORPBMMHFRB-LJQANCHMSA-N 447.329 4.150 5 20 IIBD CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CC[C@](C)(c2ccccc2)C1 446558101 SABJNUMXUHACFB-REWPJTCUSA-N 443.931 4.193 5 20 IIBD O=C1Nc2cc(Cl)ccc2S[C@@H]1CC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 461711895 ZABQFTIZCDHCBM-APWZRJJASA-N 449.941 4.325 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C)CC(C)(C)OC 462894961 JZFRNUCPXUJWBN-AWEZNQCLSA-N 437.518 4.020 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@H]1CCO[C@H](c2ccccc2)C1 462917576 VTBDDEIFFARZEB-LPHOPBHVSA-N 437.418 4.452 5 20 IIBD CN(CC(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1)c1ccccc1[N+](=O)[O-] 463726240 FDQISAPSPYIYPJ-SSEXGKCCSA-N 429.542 4.251 5 20 IIBD CO[C@H](CNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)c1cccc(Cl)c1 464597107 UQPUDXZVFNYQLK-HXUWFJFHSA-N 442.903 4.227 5 20 IIBD COC(=O)c1cccc(NC(=O)CNc2cc([N+](=O)[O-])ccc2Sc2cccs2)n1 469297784 QUXWDIQLKNAWIT-UHFFFAOYSA-N 444.494 4.040 5 20 IIBD O=C(CCc1ncc(-c2ccccc2Cl)o1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 470299757 WTZKJFFWXUSDEB-UHFFFAOYSA-N 427.844 4.126 5 20 IIBD C[C@@H](NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 470437116 GLJVPRPOVGXUDI-CYBMUJFWSA-N 441.347 4.260 5 20 IIBD COc1cc(C(=O)Nc2cccc(CCC(=O)OC(C)(C)C)c2)cc([N+](=O)[O-])c1OC 470660380 BLMZEHDWQUVERQ-UHFFFAOYSA-N 430.457 4.139 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(NC(=O)c2ccc(C)cc2)c1 470842594 USBORACCMGPCIL-UHFFFAOYSA-N 433.464 4.484 5 20 IIBD Cc1cc(C)c(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(OC2CCC2)n1 470973125 CDTKNHDPZAKPMP-UHFFFAOYSA-N 425.485 4.222 5 20 IIBD Cc1ccc2nc(-c3ccc(NC(=O)Cn4ccc(C)c([N+](=O)[O-])c4=O)cc3)sc2c1 471372927 JNGPNSCDSKEYRQ-UHFFFAOYSA-N 434.477 4.289 5 20 IIBD CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 475218043 XXEQNVKXDQBNKT-CHWSQXEVSA-N 430.427 4.162 5 20 IIBD C[C@@H]1CCCCN1CCC1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 477142512 WGVJYLDPJLHOKV-LJQANCHMSA-N 428.577 4.312 5 20 IIBD CCCCn1ccnc1-c1cccc(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])c1 477374768 OBKAIDWLWPHWLF-UHFFFAOYSA-N 430.486 4.068 5 20 IIBD CN(C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)[C@H]1CCC(C)(C)C1 478218619 QQJCCMSZOMBCIR-SFHVURJKSA-N 431.514 4.046 5 20 IIBD O=C1[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1c1ccc(Cl)c(F)c1 480091879 HQAKAQWOXVWFSH-GOSISDBHSA-N 446.891 4.406 5 20 IIBD Cc1ccc([C@H](C)N[C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)cc1[N+](=O)[O-] 480213938 MVXHNDKTGJMEOC-BLLLJJGKSA-N 439.331 4.235 5 20 IIBD CCCCn1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c1C(C)C 480235819 ZHBHOVLDLHZOCS-UHFFFAOYSA-N 445.339 4.278 5 20 IIBD CCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@@H](c1cccnc1)c1csc2ccccc12 480996716 FMQXZRUGDALLIQ-QHCPKHFHSA-N 448.504 4.004 5 20 IIBD Cc1nn(CCC(=O)Nc2cc(C(F)(F)F)ccc2Br)c(C)c1[N+](=O)[O-] 484792671 FOFLWXBFMFLSMP-UHFFFAOYSA-N 435.200 4.218 5 20 IIBD C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1sc(Br)cc1[N+](=O)[O-] 485913462 MRXNCZQBSIUGTC-ZDUSSCGKSA-N 438.347 4.155 5 20 IIBD O=C(c1cc(F)ccc1I)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 486098469 UVXDMDWYIZGZFL-UHFFFAOYSA-N 440.212 4.143 5 20 IIBD COc1ccccc1C[C@@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])C(C)C 486174658 LQRLXHKEDUGGRR-GFCCVEGCSA-N 427.320 4.425 5 20 IIBD CCOc1c(Cl)cc(CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 486276361 QCRNAZFABKVJHG-UHFFFAOYSA-N 442.299 4.351 5 20 IIBD CCOc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)C3CCCC3)c2)cc1[N+](=O)[O-] 491028768 GDVRXECHPMBVKG-UHFFFAOYSA-N 432.498 4.271 5 20 IIBD Cn1c(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])nc2cc(Cl)ccc21 491386285 HDGHJSAJVAJIFB-UHFFFAOYSA-N 425.297 4.197 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1sccc1Br 492354876 QVBQEUQBQNBAKD-UHFFFAOYSA-N 438.225 4.280 5 20 IIBD Cc1ccc([C@H](C)NC(=O)NC[C@H](CO)Cc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] 494450302 ZUQCRZOLOJXXGJ-LSDHHAIUSA-N 439.434 4.133 5 20 IIBD O=C(CN1CCC(COc2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1Br 496807414 YAYHUYBJFJRXPS-UHFFFAOYSA-N 448.317 4.087 5 20 IIBD Cc1sc2nc(CCC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)nc(O)c2c1C 500014407 CKKIRTJYRYXNRO-UHFFFAOYSA-N 428.514 4.292 5 20 IIBD CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]2CCCC[C@H]12 501055274 ATGFOZAWUBTGGM-WXRGLTTHSA-N 444.576 4.107 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1 501686692 ZMUXBIBRRLPSEE-UHFFFAOYSA-N 425.485 4.019 5 20 IIBD Cc1cnc(O)n1-c1ccc([C@@H](C)NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 501861681 NLUCDDROHKZJJK-CQSZACIVSA-N 449.492 4.409 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CSc3n[nH]c(-c4ccc5c(c4)OCCO5)n3)co2)cc1 502391188 VRPOVKONSVAKAS-UHFFFAOYSA-N 437.437 4.098 5 20 IIBD COc1ccc(C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC)c2ccc(OC)cc2)cc1 503062021 IMCLVWTULVZMBK-JOCHJYFZSA-N 436.464 4.334 5 20 IIBD Cn1c([C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)c2ccccc2)nc2ccccc21 503156676 UJDMVHNMPDSDJW-QFIPXVFZSA-N 432.505 4.479 5 20 IIBD COc1ccc(-c2nc(C)c(C(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc34)s2)c(F)c1 503524385 OZOSGXHXLQEAPA-UHFFFAOYSA-N 427.417 4.303 5 20 IIBD CCc1cnc(CNC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)o1 505602168 KUUBALSAHCCRQS-UHFFFAOYSA-N 425.466 4.028 5 20 IIBD CC1(C)CN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C[C@@](C)(C(F)(F)F)O1 505781494 IZDDHBJDHPAGKQ-HNNXBMFYSA-N 444.328 4.108 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(Sc3nnc(NCCc4cccs4)s3)cc2N1 506868256 LNDLVVKIDNAENB-UHFFFAOYSA-N 433.540 4.198 5 20 IIBD COc1cc(CN[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)c([N+](=O)[O-])cc1F 513215245 MTRLRQKXXNYKBR-LJQANCHMSA-N 428.382 4.253 5 20 IIBD O=C1CCCN1c1cc(C(=O)N2CCCc3c2cccc3[N+](=O)[O-])cc(C(F)(F)F)c1 513841916 YBZWNOWTGKNPAQ-UHFFFAOYSA-N 433.386 4.333 5 20 IIBD CC[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccccc1OCC(=O)N(C)C 515617584 XLHUUICWUVMRRO-KRWDZBQOSA-N 441.509 4.158 5 20 IIBD COc1ccc(NC(=O)c2cnn(-c3cccc(Br)c3)c2C)c([N+](=O)[O-])c1 517979467 SSMDQSLHZKOHRQ-UHFFFAOYSA-N 431.246 4.112 5 20 IIBD CC(C)N1CCC[C@H](CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 519885908 OYRBIFIANZCCTI-QZTJIDSGSA-N 425.533 4.013 5 20 IIBD C[C@H](NC(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1)c1cccc([N+](=O)[O-])c1 519934042 CYQCPMASOWXHRM-KRWDZBQOSA-N 442.479 4.403 5 20 IIBD COc1ccc(S(=O)(=O)N[C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)cc1[N+](=O)[O-] 520777902 PBISQRGGXUYFDH-AWEZNQCLSA-N 447.538 4.383 5 20 IIBD Cc1ccc(Sc2ccc(CN[C@@H](C)C(=O)NCc3ccco3)cc2[N+](=O)[O-])cc1 521173599 CFQJOTLHZDOIQM-INIZCTEOSA-N 425.510 4.442 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1cccc(Oc2ccccc2)c1 521724204 WAMAAPIJLRGYHU-UHFFFAOYSA-N 425.828 4.409 5 20 IIBD COc1ccc(CC(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)cc1[N+](=O)[O-] 522110688 UQWDEYSKSIWRMI-UHFFFAOYSA-N 446.525 4.032 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 522667060 PAHCVBRCQMHYAJ-CQSZACIVSA-N 443.843 4.312 5 20 IIBD Cc1nc(CNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc2ccccc12 523279068 RWCRBUTZXRVGGG-UHFFFAOYSA-N 436.415 4.274 5 20 IIBD O=[N+]([O-])c1cc2c(c(CN3CCO[C@@H](c4ccc(Cl)c(Cl)c4)C3)c1)OCOC2 524305659 APEOPYLDCSKWOG-GOSISDBHSA-N 425.268 4.342 5 20 IIBD CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 525138461 IFZVQCLAWUVAAV-GUYCJALGSA-N 445.545 4.185 5 20 IIBD COc1cc(CNCC2(SC)CCOCC2)c([N+](=O)[O-])cc1OCc1ccccc1 525181466 OIYJCGJUNQVUQD-UHFFFAOYSA-N 432.542 4.184 5 20 IIBD CCN([C@H](c1ccc(C(C)C)cc1)c1cccnc1)S(=O)(=O)c1cccnc1[N+](=O)[O-] 530951679 QDSDYRNRGBFQTC-OAQYLSRUSA-N 440.525 4.308 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@@H]3[C@H]4CCO[C@H]4C34CCC4)cc2[N+](=O)[O-])n1 533140080 GDMXAYMSHOZMKL-KBRIMQKVSA-N 431.539 4.198 5 20 IIBD COc1cc(CN[C@@H](C)c2ccc([S@](C)=O)cc2)c([N+](=O)[O-])cc1OCC(F)(F)F 534468165 UUNMBEVVBVSTLI-GTMAHKLRSA-N 446.447 4.133 5 20 IIBD COc1ccccc1CN(C)C(=O)CSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 535508361 NQQZUIOXQXGWKP-UHFFFAOYSA-N 427.482 4.150 5 20 IIBD CN1CCC(N(C)[C@@H]2CCCC[C@@H]2N(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 535849373 YRSCAIGHTBJHQT-UXHICEINSA-N 444.601 4.219 5 20 IIBD Cc1nsc(N2CCN(Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)CC2)n1 537634620 BZWFLCHBZGWFIS-UHFFFAOYSA-N 429.477 4.008 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1CC(=O)c1cnn(C)c1 540786659 NNTUNRYORCNABT-MRXNPFEDSA-N 430.530 4.098 5 20 IIBD Cc1c(-c2nc(Cc3csc(-c4ccccc4)n3)no2)nnn1-c1cccc([N+](=O)[O-])c1 544908412 DFRJGIUQTLDNLB-UHFFFAOYSA-N 445.464 4.248 5 20 IIBD COc1ccc(Br)cc1CN(C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F 545829372 MJWFXJZARCCCQE-UHFFFAOYSA-N 439.281 4.441 5 20 IIBD O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC=C(c2cccc(Br)c2)CC1 546524764 UDTKVYGBQNQKCK-UHFFFAOYSA-N 431.242 4.016 5 20 IIBD COc1cc(Cc2noc(CCc3nnc(-c4ccc(Cl)cc4)o3)n2)ccc1[N+](=O)[O-] 547171666 FPLUMMABTCXVLA-UHFFFAOYSA-N 441.831 4.066 5 20 IIBD COC(=O)[C@H](NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc(Br)cc1 549527314 JTTMNFTVVKEWRP-OAHLLOKOSA-N 447.207 4.380 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CC[C@@H](C4CCOCC4)C3)n2Cc2cccs2)c1 549954990 JWENMJWHMLCQIP-GOSISDBHSA-N 439.541 4.216 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)cc1[N+](=O)[O-] 551475299 VKBDVQBOCQERHR-GOSISDBHSA-N 441.484 4.027 5 20 IIBD COc1cc(OC)cc(C2(F)CCN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)CC2)c1 554979536 QRWICQBRDGWLRK-UHFFFAOYSA-N 441.459 4.123 5 20 IIBD CCOC(=O)c1cc(C(=O)N(CCc2ccccc2)Cc2cccnc2)cc([N+](=O)[O-])c1 555553170 QGNARDHWQHJMCR-UHFFFAOYSA-N 433.464 4.052 5 20 IIBD Cc1noc([C@H]2CCCCN2C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1 557766740 BDBDLHBJMSQVNY-IFXJQAMLSA-N 436.472 4.222 5 20 IIBD C[C@@H](N[C@H]1c2ccccc2CC12CCOCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 558487060 IMTCIXMLWJKPMO-VLIAUNLRSA-N 429.904 4.259 5 20 IIBD O=C(Nc1nc(C2CCC2)cs1)c1cc(I)cc([N+](=O)[O-])c1 575369714 FNYJGJNSVNVRKV-UHFFFAOYSA-N 429.239 4.176 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 576197203 ZGLIAKRJXPSKFA-NZSAHSFTSA-N 442.947 4.029 5 20 IIBD O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccc2c(c1)CCC=C2 577762918 SVMFQLBEQRLVFS-UHFFFAOYSA-N 441.490 4.096 5 20 IIBD COc1cc(CNC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)ccc1OC1CCCC1 578705878 RDVWMMFPVQSRLL-UHFFFAOYSA-N 441.484 4.029 5 20 IIBD COc1cc(C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2C)c([N+](=O)[O-])cc1OC(F)F 580416481 WBUJKOBDYRRQFY-NSHDSACASA-N 440.399 4.021 5 20 IIBD CC(C)[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(Cl)cc1 604139144 TUBWQXYCAIQRAX-MRXNPFEDSA-N 441.818 4.302 5 20 IIBD COc1ccc(C[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)c2ccccc2)cc1OC 608968776 SWWNFFALVYNNNW-FQEVSTJZSA-N 446.463 4.202 5 20 IIBD CN(CCn1cccn1)C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 609507343 JQEGUWINJVYBMK-OBGWFSINSA-N 447.520 4.490 5 20 IIBD C[C@@](CO)(NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc(C(F)(F)F)c1 609711578 CNOYPRGOXGEKGM-KRWDZBQOSA-N 449.332 4.244 5 20 IIBD O=C(Nc1ccc(OCC2CCOCC2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 609908802 WXWSOAYGIRGSKW-UHFFFAOYSA-N 425.485 4.253 5 20 IIBD CCOC(=O)CCc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 610049314 VNNOYIQUWJZORC-UHFFFAOYSA-N 428.488 4.289 5 20 IIBD COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 610152388 UFDNXDJBNSJINW-RHSMWYFYSA-N 435.318 4.430 5 20 IIBD Cc1cnc(OCC(=O)c2cc(Br)sc2Br)c([N+](=O)[O-])c1 610541476 MLAVLUAUZIQBGY-UHFFFAOYSA-N 436.081 4.146 5 20 IIBD CS(=O)(=O)NCc1ccc(NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 610911244 RVQHZXVLVPTTNJ-UHFFFAOYSA-N 445.472 4.188 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1Cc2cccc(Br)c2C1 613689690 TWJHQKPCNPEBAO-UHFFFAOYSA-N 425.666 4.322 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCCC[C@@H]2c2ccccc2OC)c(C)c([N+](=O)[O-])c1 617018750 UQRARXAEPCHYPJ-GOSISDBHSA-N 427.457 4.458 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])OCCCOc1ccc2ccccc2c1 731100987 GVOUEHPKTJSDBR-UHFFFAOYSA-N 442.855 4.144 5 20 IIBD O=C(NCC1(Sc2ccccc2)CCCC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 731592189 UAOVXSSQDOOYKQ-UHFFFAOYSA-N 441.553 4.266 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NCC1(c2ccc(Cl)cc2)CCCC1 731616477 FLDJFIFHRBSFOT-UHFFFAOYSA-N 446.887 4.076 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCCOc1ccccc1C(F)(F)F 732042966 OVJSYQKUGRDWDE-UHFFFAOYSA-N 440.346 4.101 5 20 IIBD CCC1=C(C(=O)OC)[C@@H](c2csc(-c3cccc([N+](=O)[O-])c3)n2)NC(=O)N1CC1CC1 733121905 RCEWGJKNDGGJFQ-GOSISDBHSA-N 442.497 4.032 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 735644687 CTLAFMKJKIJJJQ-UHFFFAOYSA-N 447.900 4.203 5 20 IIBD O=C(NC[C@H](O)c1ccsc1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 740126538 CHWQNCCJKKRBHI-IBGZPJMESA-N 431.901 4.385 5 20 IIBD CC(C)(C(=O)OCC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 740389470 SHAIYAFUDFDMLQ-UHFFFAOYSA-N 448.479 4.117 5 20 IIBD COCC[C@H](Cc1cccc(Br)c1)C(=O)Oc1cc([N+](=O)[O-])ccc1OC 741174331 MIMFETOZGRGXHP-CQSZACIVSA-N 438.274 4.167 5 20 IIBD COc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1ccc(OCC(F)F)c2ccccc12 742270693 JRWXIOVEZILYOK-UHFFFAOYSA-N 439.392 4.168 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC([C@H](O)c2ccc(F)cc2)CC1 742691399 YDNUQJVLXSOZLT-GOSISDBHSA-N 426.366 4.339 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)CC1 742789803 CFPHNQBHVMCJBI-QFIPXVFZSA-N 436.556 4.178 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3oc4c(c3C)C(=O)CCC4)CC2)ccc1[N+](=O)[O-] 744201857 SDRUISMGGXCBOS-UHFFFAOYSA-N 442.468 4.240 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C(=O)N1CCC[C@@H]1c1cccs1 744562670 PRZVGXCSPOQUJL-DNVCBOLYSA-N 443.525 4.166 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)cccc1[N+](=O)[O-] 744762771 BIMFSIDENFXQEP-NSHDSACASA-N 442.394 4.058 5 20 IIBD Cc1cc(C[C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)n(-c2ccccc2)n1 746294743 USJDWUBUBRERPA-QGZVFWFLSA-N 433.512 4.050 5 20 IIBD Cc1noc([C@H](OC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c2ccccc2)n1 750870450 OWPSMBOZVKGTIF-OAQYLSRUSA-N 447.451 4.094 5 20 IIBD CNc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 751415237 ZLNKMRPGCWERRK-MSOLQXFVSA-N 432.521 4.031 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])c(Cl)c3)C[C@@H]21 752580124 MHUVIXJOHQFBIL-DUVNUKRYSA-N 438.912 4.405 5 20 IIBD O=C(Nc1cccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])c1)c1ccc(F)cc1[N+](=O)[O-] 752862019 KAOOKZXUWTZXSS-UHFFFAOYSA-N 442.334 4.286 5 20 IIBD CN(C)c1ccc2cc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3Br)ccc2n1 754988651 PKJJYRHXGCZTGM-UHFFFAOYSA-N 433.237 4.363 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 757254388 CDOXZZCOLBWACX-UHFFFAOYSA-N 440.891 4.123 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)cccc1[N+](=O)[O-] 758679221 PGJGZWRZSAAOMS-INIZCTEOSA-N 447.447 4.340 5 20 IIBD CCC(=O)c1ccc(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cc1 760398488 MBMHLKWYRIJKJU-FQEVSTJZSA-N 438.480 4.429 5 20 IIBD COCCOc1ccc(Cl)cc1C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760525826 BJXSVNHXCLRVEG-UHFFFAOYSA-N 432.816 4.285 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1COC1CCOCC1 760536053 FQQGJRZEVUSMBY-UHFFFAOYSA-N 438.436 4.302 5 20 IIBD COc1ccc(Cc2noc([C@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)n2)cc1OC(F)F 761793298 MLRQLICVFTWODL-QGZVFWFLSA-N 446.366 4.044 5 20 IIBD CCC[C@H](C)c1noc(-c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2O)n1 761841691 HAYOCESXDUCMJJ-LBPRGKRZSA-N 432.458 4.055 5 20 IIBD CC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c1 761966235 VZFOJIHHJHNBOW-UHFFFAOYSA-N 433.667 4.014 5 20 IIBD O=C(OCc1cn(-c2ccc(Cl)cc2Cl)nn1)c1cc(F)c([N+](=O)[O-])cc1F 763527912 TUXZILOKSUPKAY-UHFFFAOYSA-N 429.166 4.118 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2nnc(S)n2C(C)C)C1 764217517 BBPAZKQTPZHKFX-ZDUSSCGKSA-N 435.575 4.188 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC(O)(c2ccccc2Cl)CC1 765051895 VLVDXGIYFKOHIK-UHFFFAOYSA-N 443.912 4.496 5 20 IIBD C[C@H](OC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2)C(N)=O 765363451 NADLZEZJVHRXEB-DSDLTIFZSA-N 431.448 4.051 5 20 IIBD C[C@@H]1OCC[C@H]1C(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 770739500 CIGAARZFVNQCCQ-GXFFZTMASA-N 439.251 4.484 5 20 IIBD CCc1nc(-c2ccc(C(=O)O[C@H](c3cccnc3)c3ccccc3[N+](=O)[O-])cc2)n[nH]1 770909941 WSECLHAPHACMDW-OAQYLSRUSA-N 429.436 4.284 5 20 IIBD Cc1csc(CCNc2ccc([N+](=O)[O-])c(NCCc3nc(C)cs3)c2[N+](=O)[O-])n1 771146002 KHQGKCVHPWCTGI-UHFFFAOYSA-N 448.530 4.342 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc([C@@H](C)[C@H](NC(=O)OC(C)(C)C)c3ccccc3)n2)n1C 771463587 MOFSHXGWZFOYQY-WFASDCNBSA-N 442.476 4.056 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1NC(=O)OC(C)(C)C 772287712 QLGJSLYIZYNFAZ-AWEZNQCLSA-N 443.456 4.434 5 20 IIBD Cc1nc(CNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)oc1-c1ccc(Cl)cc1 774476841 MOJWRLDKNNXUPV-UHFFFAOYSA-N 449.250 4.120 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(N2CCC(N(C)C)CC2)cc1 774843282 NBABIUSZVZLXRN-HNNXBMFYSA-N 446.935 4.185 5 20 IIBD CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccc([N+](=O)[O-])cc1Cl 778093096 LWDAZHVXVTVJJH-FQEVSTJZSA-N 443.887 4.156 5 20 IIBD CC[C@@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC[C@H]1NC(=O)OC(C)(C)C 780960758 HIHPSAWMEWDMLH-OXQOHEQNSA-N 449.551 4.447 5 20 IIBD COc1cc(C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc(OC)c1C(C)C 781299266 ZANCZLWMYJOQMF-UHFFFAOYSA-N 427.413 4.142 5 20 IIBD COc1ccc(-c2noc([C@@H](C)OC(=O)c3cc(SC)c(OC)cc3[N+](=O)[O-])n2)cc1 783460048 CZVWFJOLFCAANX-LLVKDONJSA-N 445.453 4.302 5 20 IIBD C[C@@H](OC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)C(=O)Nc1cccc2ccccc12 786785210 NIMQGIRDDYOHCT-OAHLLOKOSA-N 445.431 4.245 5 20 IIBD O=Cc1ccc(OS(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)c([N+](=O)[O-])c1 786833032 ARAQOHBUXAETGR-UHFFFAOYSA-N 425.846 4.007 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CCCSc2ccc(F)cc21 786900044 JMFGQGMQKZSIIC-UHFFFAOYSA-N 447.307 4.188 5 20 IIBD CC(C)(C)OC(=O)NCc1cccc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 787247496 ZHSDDDBPXOCMRV-UHFFFAOYSA-N 433.892 4.245 5 20 IIBD CCOc1c(Cl)cccc1CC(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 791506607 UBNOILOHEQATHV-NSHDSACASA-N 441.267 4.413 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc(Cl)cc(F)c1Br 792698689 LKNGBXQSOGJOGR-UHFFFAOYSA-N 445.628 4.254 5 20 IIBD CCC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c1 794592022 ICVTXNQKSQGPSG-UHFFFAOYSA-N 447.694 4.404 5 20 IIBD O=C(Cc1noc(-c2cc([N+](=O)[O-])ccc2N2CCCC2)n1)Nc1ccc(Cl)cc1 795689433 MYHXBUNUWIAYFE-UHFFFAOYSA-N 427.848 4.080 5 20 IIBD Cc1cncc(CCC(=O)O[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)c1 796126750 IJTXAAHSLOYHOI-HSZRJFAPSA-N 433.464 4.462 5 20 IIBD CN(CCCOCc1ccccc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br 799069342 ZXMVJCUVGSWTFR-UHFFFAOYSA-N 425.254 4.175 5 20 IIBD CC(=O)NCCN(Cc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccc(Br)s1 800500034 PAAYQXWKZLLABP-UHFFFAOYSA-N 446.754 4.211 5 20 IIBD COc1ccc(Nc2nn(CN(C)CCc3cccc([N+](=O)[O-])c3)c(=S)s2)cc1 800866106 SFENOPSKCJQUEH-UHFFFAOYSA-N 431.543 4.466 5 20 IIBD C[C@]1(C2CC2)NC(=O)N(c2ccc(CNc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)cc2)C1=O 804701817 WPEXRCUJABUVII-HXUWFJFHSA-N 448.401 4.451 5 20 IIBD O=C(Nc1ccccc1)c1ccc(COC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1 808785923 ZPZLKNSIKICLOL-UHFFFAOYSA-N 442.431 4.390 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(OS(=O)(=O)c2cnc3onc(-c4ccccc4)c3c2)c1 810055315 KYQHKEAAWZBYNI-UHFFFAOYSA-N 431.813 4.219 5 20 IIBD Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 810365710 MQMFBELWXCYTJK-ZIAGYGMSSA-N 446.301 4.009 5 20 IIBD COc1cc(C(=O)N2CCC([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc([N+](=O)[O-])c1C 810949826 UEJXZIYDRHBYDO-KRWDZBQOSA-N 447.532 4.021 5 20 IIBD CN(C(=O)COC(=O)c1sc2ccccc2c1Br)c1ccc([N+](=O)[O-])cc1 811386143 PMOOTQNHXSWPSZ-UHFFFAOYSA-N 449.282 4.392 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC=C(Br)C3)n2Cc2cccs2)c1 812361748 CZAXVPCHTGOFJQ-UHFFFAOYSA-N 446.330 4.452 5 20 IIBD O=C(Nc1ccc(OC(=O)[C@@H]2C[C@H](c3ccccc3)OC2=O)cc1)c1cccc([N+](=O)[O-])c1 813384818 DKYWWKLPPPFHGB-LEWJYISDSA-N 446.415 4.057 5 20 IIBD CC(C)Cn1ncc(NC(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2O)c1C1CC1 813738581 JPPPGRVJVAEIDO-UHFFFAOYSA-N 444.879 4.122 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 816074218 RYKCUYCVFDJHLO-IBGZPJMESA-N 445.438 4.381 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3nc4ccc(Cl)nc4s3)cc2)c(C)c1[N+](=O)[O-] 816431131 ULMIXUSJJAFXSI-UHFFFAOYSA-N 442.888 4.367 5 20 IIBD CSc1ccc(C(=O)O[C@@H](C(=O)Nc2cccc(C(C)=O)c2)C(C)C)cc1[N+](=O)[O-] 876684845 SQSBONQTFMMZLL-LJQANCHMSA-N 430.482 4.339 5 20 IIBD C[C@@H](Cc1noc(-c2cc3ccccc3c([N+](=O)[O-])c2N)n1)N(C)C(=O)OC(C)(C)C 904662999 OKAQRZCLSFSODA-LBPRGKRZSA-N 427.461 4.178 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(C(=O)c2cccc3ccccc23)CC1 915308720 OMBIQUXFUDGOOR-UHFFFAOYSA-N 438.871 4.391 5 20 IIBD CC1=C(C(=O)Nc2cccc(Cl)c2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1C1CC1 916169402 AEDDFGXSZFKUPU-LJQANCHMSA-N 426.860 4.390 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1I)c1cc(F)ccc1F 917974881 VWVJCKPSMZXBSA-MRVPVSSYSA-N 433.148 4.396 5 20 IIBD CCN(Cc1cccc(NC(=O)COc2cccc([N+](=O)[O-])c2)c1)C(=O)OC(C)(C)C 918106654 YOPIXRNHIKZKIW-UHFFFAOYSA-N 429.473 4.369 5 20 IIBD CCOc1ccc(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cc1 918638312 RJBUBYQDGGNVHN-IBGZPJMESA-N 426.469 4.235 5 20 IIBD C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCC[C@@H]2c2cccc3ccccc23)C1=O 919950283 IBMHTHIOOCIKHQ-RDGATRHJSA-N 444.491 4.310 5 20 IIBD Cc1nn(C(F)F)c(C)c1CC(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 920874892 DUFLFTDOGAANLA-UHFFFAOYSA-N 444.394 4.204 5 20 IIBD O=[N+]([O-])c1ccc(CSc2nnc(NC[C@H]3CCCO3)s2)c(Br)c1 1116672189 OVDJMUJKSRYORE-LLVKDONJSA-N 431.337 4.092 5 20 IIBD O=C(N[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 1318121744 HOPYFEVUEMBIEU-OAQYLSRUSA-N 444.491 4.373 5 20 IIBD CN1C(=O)CC[C@@H](C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)[C@@H]1c1ccc(C(F)(F)F)cc1 1318739164 FFLOLTVYUUCILD-QUCCMNQESA-N 447.413 4.066 5 20 IIBD CN(C(=O)c1ccc(-c2ccccc2)s1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1319069036 SFOFVROYHNOJFL-UHFFFAOYSA-N 436.898 4.438 5 20 IIBD O=C(NCCNCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1c(F)cccc1F 1322779176 ILOMMDMQCTYNQH-UHFFFAOYSA-N 435.814 4.306 5 20 IIBD COc1ccc(CN[C@](C)(C(=O)O)c2ccccc2)cc1OCc1ccc([N+](=O)[O-])cc1 1331946307 HXIFHWTVDHUYIU-DEOSSOPVSA-N 436.464 4.272 5 20 IIBD O=[N+]([O-])c1ccccc1OCc1nnc(CCc2nnc(-c3ccc(Cl)cc3)o2)o1 1345738609 BCCMKYSFRFHIBT-UHFFFAOYSA-N 427.804 4.045 5 20 IIBD CC(C)(C)OCC(=O)Nc1ccc(C2(NC(=O)c3cccc(F)c3[N+](=O)[O-])CCC2)cc1 1786636840 ZXTJGGTYPPAOGQ-UHFFFAOYSA-N 443.475 4.297 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])NC1(c2ccc(NC(=O)C(F)F)cc2)CCC1 1787711277 ZSICXUNQNBDNPL-UHFFFAOYSA-N 435.452 4.086 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1)c1ccc2c(c1)COC2 1789035786 NOUHKODUHWLDMW-UHFFFAOYSA-N 447.447 4.280 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3cccc4ccoc34)CCC2)cc1)c1n[nH]cc1[N+](=O)[O-] 1789692237 WUIITPNYNRMVCX-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD CC[C@@H](O)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3C)cc2)CCC1 1790773443 IBQQBKHTORSHCB-LJQANCHMSA-N 445.903 4.075 5 20 IIBD CCC[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(C)c([N+](=O)[O-])cn2)CC1 1797073211 BVWJPWXYOOCZSU-CCQCEHTISA-N 442.560 4.157 5 20 IIBD O=C(CC1CC1)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])[nH]n1 1817029671 NONJUWHTKVPRFZ-QGZVFWFLSA-N 445.907 4.006 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/C2CC2)[nH]n1 1821284171 YHPLHWXVFVJELF-RUJXFNLJSA-N 441.463 4.038 5 20 IIBD CC(C)(C)CC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1824274877 PDNKXBGFLBVTCN-QRBZPYHOSA-N 431.533 4.257 5 20 IIBD CC[C@H](C)CC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1824275718 GRDQSPJDGPLEJY-JFFDJDQUSA-N 431.533 4.257 5 20 IIBD O=C(CC1CCC1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830622146 GICQKFGAADQELO-HXUWFJFHSA-N 431.508 4.157 5 20 IIBD O=C(c1cccc(F)c1)N1CC2(CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 1845739394 SBXFSDYVXMOKCB-UHFFFAOYSA-N 439.468 4.079 5 20 IIBD Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1Cl 1847361868 IGJHSFKWYBSDPS-DRJJXNLZSA-N 439.899 4.085 5 20 IIBD C[C@@H](OC(=O)c1cc2c(s1)CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9070064 NXKOZVNBWOUIMW-SECBINFHSA-N 428.388 4.348 5 20 IIBD CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 9629253 XCVMRPVKDKEVDF-UHFFFAOYSA-N 431.905 4.181 5 20 IIBD C[C@@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 9636771 PHLGPXQKVAPNBE-GFCCVEGCSA-N 427.461 4.447 5 20 IIBD COc1ccc([N+](=O)[O-])cc1OC(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1 16963148 AUAPVQSSIMVHAU-UHFFFAOYSA-N 439.420 4.419 5 20 IIBD O=C(CCn1c(=O)oc2cc(Cl)ccc21)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 19200809 LGQQUOPLXYCVIO-UHFFFAOYSA-N 444.856 4.308 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1OC 22021466 RIDZEEIMJGJYBX-LLVKDONJSA-N 443.283 4.426 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)NCC2(c3ccccc3)CCCC2)c1 28400379 IKDVMVSHHSFABV-UHFFFAOYSA-N 428.510 4.102 5 20 IIBD COCCn1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nc2cc(Cl)ccc21 32881432 VVNLPEJTSZKJSU-UHFFFAOYSA-N 435.889 4.403 5 20 IIBD CCc1cccc(Oc2ccc(NC(=O)[C@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)cn2)c1 58355678 PCEKDYFORMDPOJ-HNNXBMFYSA-N 434.452 4.102 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 64520971 MYQGNBWHFRNVCQ-CABCVRRESA-N 437.949 4.105 5 20 IIBD CCc1cc(N2CCCN(C(=O)c3cccc(C)c3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 64905739 IWJQMKXFXSAKPU-UHFFFAOYSA-N 445.523 4.275 5 20 IIBD O=C(NCCNc1ncc(Cl)cc1Cl)c1csc(-c2cccc([N+](=O)[O-])c2)n1 65102956 RESFWDLYXZHJHI-UHFFFAOYSA-N 438.296 4.262 5 20 IIBD Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 110322707 RORSHMKWNYDTQW-QUCCMNQESA-N 439.512 4.239 5 20 IIBD CC(C)(C)c1cc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)n(-c2ccccn2)n1 111007769 IXGRMQSIGFRAPM-UHFFFAOYSA-N 448.527 4.328 5 20 IIBD C[C@@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(N2CCCCC2)cc1 115018483 IMQKZHMPVOPGCP-CQSZACIVSA-N 431.876 4.423 5 20 IIBD COc1cc(CNCCc2cn3ccccc3n2)ccc1OCc1ccc([N+](=O)[O-])cc1 237414467 MOYXMEQYWGNOGD-UHFFFAOYSA-N 432.480 4.162 5 20 IIBD CC(C)NC(=O)c1ccc(NC2CCN(Cc3ccc(F)c(F)c3)CC2)c([N+](=O)[O-])c1 301064520 FKHQIPFLUPGFCF-UHFFFAOYSA-N 432.471 4.088 5 20 IIBD CC(C)(CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(Br)c1 303086190 BIEIVAINBRMBTK-UHFFFAOYSA-N 443.301 4.251 5 20 IIBD O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCC(Oc2ccccn2)CC1 426883692 UQHQYTRSMVCYDA-UHFFFAOYSA-N 433.464 4.252 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C 428777311 ICYBHNSJFVZDFI-AUUYWEPGSA-N 437.418 4.323 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(Cc1ccc(Cl)cc1)Cc1cnn(C)c1 430261437 RLCXHOHDYQZULU-UHFFFAOYSA-N 441.919 4.321 5 20 IIBD COC(=O)c1cc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cc(Br)c1F 432368273 PHIHWKXFMVIBSG-UHFFFAOYSA-N 436.193 4.017 5 20 IIBD COc1cccc(C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)c1[N+](=O)[O-] 435663595 NTECESMKIKMHJM-UHFFFAOYSA-N 442.475 4.445 5 20 IIBD COC(=O)c1cc(Br)cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1Cl 440160327 LUSFCGCVNQMKTN-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD Cc1nc(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)sc1C 440532129 KXBHDYVIWGFVOM-UHFFFAOYSA-N 442.463 4.220 5 20 IIBD CC(C)(C(=O)Nc1cc(F)c(F)cc1I)c1ccc([N+](=O)[O-])cc1 443971329 VELLUJYFRGXIJN-UHFFFAOYSA-N 446.191 4.394 5 20 IIBD CN(Cc1ccccc1)[C@@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)C1CC1 444346095 WPSLFWPHADCOIM-QHCPKHFHSA-N 443.522 4.461 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCSc3c(F)cccc32)c(C(F)(F)F)c1 447034501 SACDGEQXFOHCNY-CYBMUJFWSA-N 436.408 4.268 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@@H](c2ccccc2Cl)OC[C@@H]1C 460317690 PEROXCRXWYCDKR-LIRRHRJNSA-N 427.892 4.493 5 20 IIBD CC(C)(C(=O)Nc1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)c1ccc([N+](=O)[O-])cc1 460339556 OSAWRXBSXPIKPU-UHFFFAOYSA-N 447.422 4.451 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@H](COCc2ccccc2)C1 460554307 YYHFNUDXZHICEY-NRFANRHFSA-N 426.516 4.220 5 20 IIBD Cc1nn(CCC(=O)NCc2ccc(Oc3ccccc3F)c(F)c2)c(C)c1[N+](=O)[O-] 460648946 NKQKRPCTVAFTQU-UHFFFAOYSA-N 430.411 4.185 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(Cl)c(C)cc1Br 461109369 BVLGHXTUXQLRMQ-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD C[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])c1ccc(Br)cc1OCCCO 461982415 JDJVEQZBRTYFKY-JTQLQIEISA-N 430.686 4.340 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)CC(C)(C)OC 462894962 JZFRNUCPXUJWBN-CQSZACIVSA-N 437.518 4.020 5 20 IIBD O=C(Nc1ccccc1CCC(F)(F)F)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 465482467 SWLZCHIYHSADIR-CQSZACIVSA-N 441.431 4.395 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)Cc1csc(NC(=O)c2ccccc2F)n1 466520600 DQDRHSXBAYSZRK-UHFFFAOYSA-N 444.444 4.023 5 20 IIBD COc1ccc(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)cc1NC(=O)C1CCCCC1 468704483 VIPWDHLEILVELX-UHFFFAOYSA-N 447.513 4.269 5 20 IIBD COc1cc(CNCc2ncnn2-c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 475292190 RVAWEZOHQMZOIA-UHFFFAOYSA-N 445.479 4.053 5 20 IIBD COC(=O)COc1ccc(CN2CCSC[C@@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] 475716919 RWCZTHOQRKNPMO-GOSISDBHSA-N 436.917 4.090 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCN(Cc2ccccc2Cl)CC1 481943712 QIQDNCMIXFAMML-UHFFFAOYSA-N 442.928 4.330 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCc2c(ncn2-c2ccccc2)C1 482696944 SETMDAYAJBYSLF-UHFFFAOYSA-N 431.477 4.103 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cnc(-c2ccc3c(c2)OCO3)s1 483013562 MVQRQXUWMRJDTR-UHFFFAOYSA-N 435.364 4.301 5 20 IIBD CC[C@H](NCCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1cccc([N+](=O)[O-])c1 483656213 PQJQOPZDAZDIHE-IBGZPJMESA-N 437.587 4.114 5 20 IIBD COC(=O)c1cc(Br)cc(NC(=O)c2cccc([N+](=O)[O-])c2OC)c1Cl 483796055 UIMIFPMSMFDPMD-UHFFFAOYSA-N 443.637 4.058 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)Sc1nnc(N2CCOCC2)n1Cc1ccccc1 484519233 XPEGYTGSHIHTRR-KRWDZBQOSA-N 439.541 4.233 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H]2CCCc3c[nH]nc32)cc1[N+](=O)[O-] 484783332 YUFVEEJZEGVGJG-KRWDZBQOSA-N 436.493 4.078 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1[N+](=O)[O-] 488022437 HUPDVISDHFWZJE-UHFFFAOYSA-N 444.919 4.432 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2nccc(C)n2)cc1 489903757 GVDKONGZPSRLJN-UHFFFAOYSA-N 440.481 4.476 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)c1ccc(NC(N)=O)cc1 493072084 QYXTVKBOVMQLAY-OAHLLOKOSA-N 433.468 4.189 5 20 IIBD COc1cc(CN[C@@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)F 493764805 KOMFKZVBRJIZKH-GOSISDBHSA-N 435.471 4.002 5 20 IIBD CCN1CCN(c2ccc(N[C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c(C)c2)CC1 493981049 AMRIBVPQAKSJKR-KRWDZBQOSA-N 436.516 4.268 5 20 IIBD Cc1cc(Br)c(C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)cc1Cl 496035422 WTMRKOGUKFBVBF-UHFFFAOYSA-N 436.653 4.357 5 20 IIBD CC[C@@H](Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccccc1OC(F)F 498816626 GMISCDGLOMGSOH-MRXNPFEDSA-N 435.427 4.232 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1-c1nnnn1C1CC1 499330562 ONVXIXRZNTUYEY-UHFFFAOYSA-N 432.362 4.163 5 20 IIBD CC(C)(C(=O)Nc1ccc(Cc2nnc3n2CCCCC3)cc1)c1ccccc1[N+](=O)[O-] 500311336 KLBGTMOYXFJXBP-UHFFFAOYSA-N 433.512 4.420 5 20 IIBD C[C@@H](Nc1ccc(F)cc1OC1CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 504424196 MFPBSYIULKENNS-GFCCVEGCSA-N 437.855 4.384 5 20 IIBD CC[C@H](CC1CCCC1)C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 510206484 KBKOKPSUMQCCBR-CQSZACIVSA-N 437.543 4.429 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1OC 511680405 ILAOKZHCXLZDEB-CWRNSKLLSA-N 434.455 4.021 5 20 IIBD O=C1NCCN1C1CCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 511765422 QJAYUJQSSMITSQ-UHFFFAOYSA-N 430.892 4.030 5 20 IIBD COCCN(C(=O)c1ccc(C)c(OC)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 512052424 MFOUAMDLUUMXJM-UHFFFAOYSA-N 427.482 4.329 5 20 IIBD COc1cc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)ccc1OCc1ccncc1 512179481 CUBQUZVXPXGUAO-OAHLLOKOSA-N 437.452 4.077 5 20 IIBD O=C(CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)Nc1ccc(F)c(F)c1F 515156053 WMYBCKOWSMUMPR-UHFFFAOYSA-N 445.353 4.173 5 20 IIBD COc1ccccc1[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)N1CCCCC1 516135568 LVTOPSFAGJCDEH-FQEVSTJZSA-N 429.542 4.039 5 20 IIBD Cc1cccn2cc(-c3ccc(NC(=O)C(=O)N[C@@H](C)c4cccc([N+](=O)[O-])c4)cc3)nc12 517184817 SCCUYHUIVZIZDB-INIZCTEOSA-N 443.463 4.034 5 20 IIBD CNS(=O)(=O)c1ccc(NCc2ccccc2Oc2cccc(F)c2)c([N+](=O)[O-])c1 518663560 CBBZFRPSXPOZFV-UHFFFAOYSA-N 431.445 4.046 5 20 IIBD O=C(N[C@@H]1CCN(CC(F)(F)F)C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 520311123 IITSCDPFESENIQ-CYBMUJFWSA-N 425.432 4.112 5 20 IIBD CC[C@H](C)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C)C(=O)Nc1cccc(N2CCCC2)c1 521973997 DVUPZRYCLYHVRA-KSFYIVLOSA-N 438.528 4.287 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1ccc(CC(C)C)cc1)C1CC1 522494501 RMRPVBGEKKOGAS-OAQYLSRUSA-N 425.485 4.008 5 20 IIBD COc1cc(C(=O)N2CCSC[C@@H]2c2ccc(C)cc2)c([N+](=O)[O-])cc1OC(F)F 522543816 AIYBLLQXBQEEMS-MRXNPFEDSA-N 438.452 4.444 5 20 IIBD O=C(Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1)c1ccc(-n2cccn2)cc1 522817618 KJGBCIBMHGPYRP-UHFFFAOYSA-N 440.419 4.479 5 20 IIBD COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 523479309 CDAPIDISJFBOND-QGZVFWFLSA-N 433.892 4.407 5 20 IIBD CS(=O)(=O)c1cc(C(=O)NCC2(c3ccccc3)CCCCCC2)cc([N+](=O)[O-])c1 524053461 HFYCCPFLROLLMY-UHFFFAOYSA-N 430.526 4.020 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(-c3ccc(N4CCN(c5ccc(F)cc5)CC4)nc3)no2)c1 531137950 DVCGXGNIPMBOJK-UHFFFAOYSA-N 446.442 4.173 5 20 IIBD CC[S@](=O)[C@@H]1CCC[C@@H](NCc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 531172068 GOAAERRNWYXOHN-BJJWGTRISA-N 446.569 4.352 5 20 IIBD COc1ccc(Oc2ccc(CCNC(=O)Cc3ccc(OC)c([N+](=O)[O-])c3)cc2)cc1 534369176 HUAWWHNMWBYWFC-UHFFFAOYSA-N 436.464 4.306 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(C[S@@](=O)Cc3nc(-c4ccc(Cl)cc4)no3)co2)cc1 534795773 NIOHYMZBZRUIHS-SSEXGKCCSA-N 444.856 4.402 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CC[C@H](C4CCN(C)CC4)C3)cc2[N+](=O)[O-])n1 535142234 MGQAXOVWACUVBG-KRWDZBQOSA-N 446.598 4.315 5 20 IIBD CC[C@@H](CCO)NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 535911400 UTAZTOHINSPKAE-MAUBAPBLSA-N 425.510 4.412 5 20 IIBD CCOc1ccc(NC(=O)COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OCC 536468940 WKFCBOHMJLCFNZ-UHFFFAOYSA-N 428.363 4.429 5 20 IIBD Cc1sc2ncnc(SCC(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])c2c1C 537598789 XTPQMCFZSVDTMF-UHFFFAOYSA-N 436.946 4.321 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1nnc2ccc(C(F)(F)F)cn12 538196061 ZNWHELNZELQBCK-UHFFFAOYSA-N 439.419 4.087 5 20 IIBD Cn1cnc([N+](=O)[O-])c1CN[C@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1 538218830 KBLPFJSSMLKZEN-QGZVFWFLSA-N 438.381 4.396 5 20 IIBD CC[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1)Oc1ccccc1Cl 539489585 NVZXFYJWRFPUSN-CYBMUJFWSA-N 447.904 4.105 5 20 IIBD COc1ccc(OCCN2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c([N+](=O)[O-])c1 541088224 HEODLHSLWHUSTE-IBGZPJMESA-N 426.391 4.075 5 20 IIBD CC(C)[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2cccnc2)no1 541425130 LDYCWMCCYBADJM-KRWDZBQOSA-N 447.904 4.299 5 20 IIBD Cn1c([C@@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)nc2ccccc21 543707014 CWVXAECXFFYQAH-KRWDZBQOSA-N 430.411 4.450 5 20 IIBD Cc1c(Br)cc(-c2nc([C@H](C)CNC(=O)c3ccccc3)no2)cc1[N+](=O)[O-] 545041817 FQCIAAKUCRYVRR-LLVKDONJSA-N 445.273 4.249 5 20 IIBD CC(C)(C)c1ccc(-c2nc(-c3ccccc3CN3CCC[C@@H]3C(N)=O)no2)cc1[N+](=O)[O-] 545693711 BPZDTGXQTYISJW-LJQANCHMSA-N 449.511 4.059 5 20 IIBD CC(C)(C(=O)Nc1ccc(CS(=O)(=O)C(C)(C)C)cc1)c1ccc([N+](=O)[O-])cc1F 545863318 FBYMKIZBEIIMGT-UHFFFAOYSA-N 436.505 4.364 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(-c3nc(-c4cccc(C(=O)N(C)C)c4)no3)cc2[N+](=O)[O-])C1 546281710 KZAGOBWENQNAOZ-IYBDPMFKSA-N 449.511 4.496 5 20 IIBD COc1ccc(CNc2ccc3c(c2)OCC(=O)N3C)cc1OCc1ccc([N+](=O)[O-])cc1 546666843 RPKJLKJDDUQYFQ-UHFFFAOYSA-N 449.463 4.150 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@H](c2ccc(F)cc2F)C1 548314038 QSSVPKVVLIPOAZ-INIZCTEOSA-N 428.844 4.219 5 20 IIBD COc1cccc(Oc2ccc(CN[C@@H](c3cccc([N+](=O)[O-])c3)c3nccn3C)cn2)c1 552051090 GWJPWCLKBGXJCP-QHCPKHFHSA-N 445.479 4.403 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NCC1CC(F)(F)C1 552570040 ZDLXNYIBXZEYFW-UHFFFAOYSA-N 426.423 4.152 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 557986804 GOAYALWYSUICKR-UHFFFAOYSA-N 433.443 4.421 5 20 IIBD O=C(NCCc1nc(C2(c3ccc(F)cc3F)CCCC2)no1)c1ccc([N+](=O)[O-])cc1 563480296 WWSQEPPFODQIJL-UHFFFAOYSA-N 442.422 4.089 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCc1ccc(OCc2ccccc2)cc1 565862832 NDXDMILBQBPUKG-UHFFFAOYSA-N 447.491 4.034 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)cc1[N+](=O)[O-] 572863017 JIYAWXXXTPMUNK-DOTOQJQBSA-N 427.476 4.422 5 20 IIBD COCCOc1c(Cl)cc(S(=O)(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc1Cl 573281359 PQRKXUKMCVFXSF-UHFFFAOYSA-N 449.312 4.344 5 20 IIBD CN(Cc1ccccc1Cl)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 573306433 NSNIDZCTNSWUFY-OAHLLOKOSA-N 427.892 4.180 5 20 IIBD CC(C)N1CCc2nc(NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])sc2C1 579220913 QHVKDAOLRHGXAC-UHFFFAOYSA-N 426.951 4.202 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(N2C(=O)CCC2=O)c1 580108818 XMAFZUWIORSTTA-UHFFFAOYSA-N 431.445 4.142 5 20 IIBD COc1cc(Cc2noc(-c3csc(Cc4ccccc4)n3)n2)c([N+](=O)[O-])c(OC)c1 584330498 IXZNSICYFFFMHA-UHFFFAOYSA-N 438.465 4.300 5 20 IIBD C[C@@H](C(=O)Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2)c1cccc([N+](=O)[O-])c1 590520619 XPENDQYGLARNMP-QGZVFWFLSA-N 429.476 4.469 5 20 IIBD CC(=O)N[C@H](CC(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F)c1ccc(C)cc1 603741918 DQWVPXYWHSBHPY-GOSISDBHSA-N 437.418 4.062 5 20 IIBD COC(=O)C[C@H](NC(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)c1cccs1 603841132 IAHNGIMGYDNFEL-UXLLHSPISA-N 445.541 4.173 5 20 IIBD Cc1cccc(Oc2ncccc2NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1C 604085377 ATPGQYLXTNNJKW-UHFFFAOYSA-N 448.483 4.148 5 20 IIBD C[C@@H](c1ccccc1Br)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 604494396 JIPQPJRSHOJKLL-JTQLQIEISA-N 433.711 4.392 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F 609100443 SWTPXUQWQKDLOC-UHFFFAOYSA-N 443.403 4.071 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC1(c2ccccc2)CCOCC1 609566951 CDAKJNMWLLGWHS-UHFFFAOYSA-N 437.418 4.238 5 20 IIBD Cc1ccc(-c2noc([C@H](C)N3CCN(Cc4ccc(Cl)cc4[N+](=O)[O-])CC3)n2)cc1 609705305 SKHLIFYBSYWAHU-INIZCTEOSA-N 441.919 4.485 5 20 IIBD CN(Cc1cccc(Br)c1)C(=O)c1ccc([N+](=O)[O-])cc1Br 610039641 UMAPUCZWEFMLIY-UHFFFAOYSA-N 428.080 4.392 5 20 IIBD CCOC(=O)C1(CN[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCC1 610137086 WFWQYXIKETUHMK-LJQANCHMSA-N 445.903 4.251 5 20 IIBD COc1cc(C(=O)N[C@H]2CCN(C)[C@H](C)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 610208541 DAYLSASUKLACAX-CJNGLKHVSA-N 433.892 4.262 5 20 IIBD COC(=O)C(C)(C)[C@@H]1CCCN(c2c([N+](=O)[O-])cnc3ccc(Br)cc23)C1 611305986 DSVMMVNOQJWSGJ-GFCCVEGCSA-N 436.306 4.321 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 617761742 KDSRJJUAJJAHDU-AOMKIAJQSA-N 434.496 4.101 5 20 IIBD CN(CCCCCc1cc(-c2ccccc2)no1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 725781566 BZTFHBFQIFHTCX-UHFFFAOYSA-N 448.479 4.148 5 20 IIBD C[C@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cccc(OCc2ccccn2)c1 725824044 LITSWUKEKNOMDZ-AWEZNQCLSA-N 447.900 4.262 5 20 IIBD CCc1ccc(NC(=O)c2nnc(COC(=O)c3c(Cl)cccc3[N+](=O)[O-])s2)cc1 730643969 OTCKIUUCMLXZQQ-UHFFFAOYSA-N 446.872 4.271 5 20 IIBD Cc1nc(CC(C)C)sc1C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730705494 ZPCGARMQKKROFL-HNNXBMFYSA-N 431.514 4.020 5 20 IIBD Nc1c(Cl)cc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1Cl 731178241 MCFNESMLPAXIGB-UHFFFAOYSA-N 441.090 4.047 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(OCc2ccc(C)cc2)c1 732047944 MHSXJYKEZMPVTG-UHFFFAOYSA-N 428.466 4.292 5 20 IIBD CN1C(=O)CC[C@H](C(=O)OCc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(C(F)(F)F)cc1 734639466 MWJHXUCDTWSJNY-LPHOPBHVSA-N 436.386 4.267 5 20 IIBD Cc1cc(N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 740868937 FVDNSNPICIBOHK-KBXCAEBGSA-N 427.505 4.100 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 742890761 WWHRUZUILMKCKX-ZDUSSCGKSA-N 443.456 4.204 5 20 IIBD CC(C)C(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 745070784 DPWXNEFNEXCKIZ-OAHLLOKOSA-N 426.469 4.282 5 20 IIBD CC(C)CC(=O)Nc1ccc(C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1F 745294564 XZJJVAXGAHZSQI-UHFFFAOYSA-N 442.403 4.126 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[C@@H](C)CCOc1ccccc1 745975897 DIGMULLTUAADGP-KRWDZBQOSA-N 438.484 4.487 5 20 IIBD CCc1ccc(C(=O)OCC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)cc1[N+](=O)[O-] 747011122 NMJDMSVWLJPQFX-UHFFFAOYSA-N 436.468 4.064 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3F)cc2)c([N+](=O)[O-])c1 747408213 WHBSMHYETIYUFH-UHFFFAOYSA-N 447.400 4.022 5 20 IIBD Cc1c(CC(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cccc1[N+](=O)[O-] 747887884 TVOKIXIGSUJSFS-UHFFFAOYSA-N 425.485 4.378 5 20 IIBD Cc1c(C(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748724453 BSGPJAMHEKZSBH-CQSZACIVSA-N 432.864 4.030 5 20 IIBD Cc1cc(F)cc(C(=O)OCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1[N+](=O)[O-] 752556952 JBGMOKRTZWDRKC-UHFFFAOYSA-N 432.738 4.093 5 20 IIBD C[C@H](OC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccc(OC(F)(F)F)cc1 755060733 FQOCHGMMEPFVHN-QWRGUYRKSA-N 444.337 4.306 5 20 IIBD O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 755315631 IFVAVZLPILHPLB-HXUWFJFHSA-N 447.601 4.250 5 20 IIBD Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)C2)cc1 755371149 JXLWZLPSLIAKHB-HNNXBMFYSA-N 446.301 4.157 5 20 IIBD O=C(CCc1nc(O)c2c3c(sc2n1)CCCC3)NCc1cc([N+](=O)[O-])ccc1Cl 756989105 MIBHKHRLGPNBCQ-UHFFFAOYSA-N 446.916 4.086 5 20 IIBD CN(C[C@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1)C(=O)OC(C)(C)C 757254214 ANSSZCDDSFLEBB-CQSZACIVSA-N 440.928 4.037 5 20 IIBD C[C@H]1C[C@@H](N(C)C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCN1Cc1ccccc1 757264565 ZWGBYAKIWMYUAZ-LPHOPBHVSA-N 430.936 4.443 5 20 IIBD CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1cccc([N+](=O)[O-])c1Br 758483772 WGGNVCLAKTXLQK-UHFFFAOYSA-N 434.290 4.075 5 20 IIBD CC(=O)c1cccc(NC(=O)[C@H](OC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(C)C)c1 758738731 XZTWZWUAGARZPD-JOCHJYFZSA-N 437.452 4.028 5 20 IIBD Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] 759068805 XJAHAGXSZOQIAI-KRWDZBQOSA-N 440.953 4.076 5 20 IIBD CCCOc1cccc(CC(=O)OC2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)c1 763012804 LDBUNFUCECADBI-UHFFFAOYSA-N 428.485 4.147 5 20 IIBD Cc1ccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c(Br)c1 763720366 DYANHEPFSBTAMA-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 765061083 AXOZWEQMXLVCOO-HNNXBMFYSA-N 425.397 4.470 5 20 IIBD O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1CCC(=Cc2ccc(F)c(F)c2)CC1 768908760 YBPMRWMMORPVSM-UHFFFAOYSA-N 438.434 4.234 5 20 IIBD C[C@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 769082705 ADTIHNWIENZMRE-FUHWJXTLSA-N 446.548 4.304 5 20 IIBD O=C(Oc1ccccc1)N1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 769302182 NXCHJUMMLKGBTD-UHFFFAOYSA-N 438.509 4.425 5 20 IIBD O=C(CCCc1nnc(-c2ccccc2)o1)OCc1ccc(Br)c([N+](=O)[O-])c1 773395633 CICTZSLOTIKAKD-UHFFFAOYSA-N 446.257 4.473 5 20 IIBD CC(C)[C@H](OC(=O)c1sc(Br)cc1[N+](=O)[O-])C(=O)NC1CCCCC1 773606984 ZLFHTOCBPJCOTP-ZDUSSCGKSA-N 433.324 4.049 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Br)nc1C 773705662 WZQXWVBDENYLOL-UHFFFAOYSA-N 426.292 4.052 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Oc1cnc2ccc(Br)cc2c1 774895705 SAWPBLSNTNTIOZ-UHFFFAOYSA-N 446.213 4.352 5 20 IIBD Cc1c(C(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])nnn1-c1cccc(Cl)c1 776136698 LAQBBBFYMABOIS-OAQYLSRUSA-N 449.854 4.479 5 20 IIBD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nn1-c1ccc(F)cc1 777154504 XXJNBEZPUCDUEW-GFCCVEGCSA-N 446.822 4.065 5 20 IIBD O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@](O)(c2ccc(F)cc2)C1 777488554 AXWGJDQWCZHVTR-XMMPIXPASA-N 435.455 4.080 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 778137831 LIOZRKKTMLPKCE-CYBMUJFWSA-N 449.847 4.143 5 20 IIBD COc1ccc2cccc(CC(=O)OC[C@@H]3CCCN3C(=O)c3ccccc3[N+](=O)[O-])c2c1 780360969 KOTLWSHJPFNIJC-IBGZPJMESA-N 448.475 4.147 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)C1CCC(NC(=O)CC2CCCC2)CC1 780635658 BIJHFCVHXYBOHM-UHFFFAOYSA-N 432.517 4.081 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(-c2cn3ccccc3n2)cc1 781592519 GGWAHJGMTIZDPA-UHFFFAOYSA-N 431.408 4.389 5 20 IIBD C[C@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(S(C)(=O)=O)cc1 783316495 PBQVEPHJZWOJIZ-LBPRGKRZSA-N 432.479 4.040 5 20 IIBD COC(=O)c1scc(C)c1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1-c1cccs1 785475233 SMWJTWVYHPHUHG-UHFFFAOYSA-N 439.492 4.248 5 20 IIBD C[C@@H](OC(=O)Cc1cc(-c2ccccc2)on1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 785968800 JJEKLGTUMWHBPL-GFCCVEGCSA-N 429.816 4.016 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Oc1ccc(F)c(C(F)(F)F)c1 785969757 DGIOELKKPFRUAB-UHFFFAOYSA-N 428.294 4.046 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(OC[C@@H](O)COc2ccccc2[N+](=O)[O-])c(Cl)c1 790140407 RHSVHYYNGLURRU-CQSZACIVSA-N 438.864 4.414 5 20 IIBD C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 792327158 PBYDMOVUDWXVMY-QGZVFWFLSA-N 446.548 4.035 5 20 IIBD O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)Nc2cccc(OCc3cccnc3)c2)c1 795298119 BZVPOCLAIJFYGD-UHFFFAOYSA-N 437.836 4.162 5 20 IIBD O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1CN1CCC[C@H]1c1cccc(F)c1 795414917 ZMUPARNDERXORY-KRWDZBQOSA-N 434.265 4.247 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cc(F)c([N+](=O)[O-])cc2Cl)c(C(F)(F)F)c1 796208877 VWPQQAJJIJGFRN-UHFFFAOYSA-N 444.702 4.082 5 20 IIBD COc1cc(COC(=O)[C@H](C)[C@H]2OCCc3sccc32)c([N+](=O)[O-])cc1OC(F)F 796502135 BRMYLYRZRZOGKN-BMLIUANNSA-N 443.424 4.260 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 798283127 NHJBHYPUDUIMOQ-INIZCTEOSA-N 440.500 4.034 5 20 IIBD CCC(=O)c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])c(Br)cc2C)cc1 799743552 GOAMWYFQKKJOLH-UHFFFAOYSA-N 428.260 4.026 5 20 IIBD COc1ccc(Cn2cc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3Br)cn2)cc1 803728296 WMIPWMGEOVMUPC-UHFFFAOYSA-N 449.236 4.002 5 20 IIBD CCc1cc(N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)nc(-c2ccncc2)n1 804703579 QPZQGPZCBQFLKI-UHFFFAOYSA-N 440.301 4.334 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccnc(-c2ccc(Cl)cc2)n1 805657621 JSOUKKJFKYHXAN-UHFFFAOYSA-N 437.799 4.112 5 20 IIBD O=C(NCc1ccc(NC(=O)c2ccncc2)cc1)Nc1cccc([N+](=O)[O-])c1Cl 809913986 XGBHPPRMYIGOOQ-UHFFFAOYSA-N 425.832 4.217 5 20 IIBD COc1ccc([C@@H](O)C2CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC2)cc1 812642681 YAPJBMUISLVBAR-LJQANCHMSA-N 438.402 4.208 5 20 IIBD COc1cccc([C@@H](CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])N2CCCC2)c1 813369593 OIDFUIKSRHEWJW-GOSISDBHSA-N 438.311 4.477 5 20 IIBD C[C@@H](NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1)c1cccc([N+](=O)[O-])c1 813591515 YTXBGLBMLIHTGS-NVXWUHKLSA-N 432.521 4.277 5 20 IIBD CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)NC(=S)N1 839968920 BXXCOPMWENMFJA-NRFANRHFSA-N 449.488 4.391 5 20 IIBD O=C(COC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)Nc1ccccc1-c1ccccc1 849194117 BCFBFINVPIVPLJ-UHFFFAOYSA-N 442.431 4.243 5 20 IIBD C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)cc1 897462737 UDZUUCWMAUZQMR-KBPBESRZSA-N 447.438 4.294 5 20 IIBD Cn1cc([N+](=O)[O-])cc1-c1nc(-c2cc(Br)cc(Br)c2)no1 904913187 XCDPHQAOACEWHD-UHFFFAOYSA-N 428.040 4.175 5 20 IIBD Cc1ccc(C(=O)N(C)c2ccc(OC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc34)cc2)cc1 917032180 UOLNRGGUGRQWDD-UHFFFAOYSA-N 430.420 4.275 5 20 IIBD O=[N+]([O-])c1ccc2nc(SCc3nnnn3-c3ccc(C(F)(F)F)cc3)sc2c1 917420750 WEKHZPLLQVOOOM-UHFFFAOYSA-N 438.416 4.491 5 20 IIBD CC(C)c1ccc(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)cc1 917851051 YPOKGMXBTHHXKA-UHFFFAOYSA-N 427.320 4.301 5 20 IIBD CC(=O)N1CCN(c2ccc(C(=O)O[C@@H](C)c3ccc4ccccc4c3)cc2[N+](=O)[O-])CC1 917963195 WKXCVJRSPJWOKX-KRWDZBQOSA-N 447.491 4.335 5 20 IIBD C[C@H](OC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C(=O)N(C)Cc1c(F)cccc1Cl 919526850 VSXGZHXYOAZBHC-NSHDSACASA-N 433.823 4.073 5 20 IIBD COC(=O)c1ccc(-c2ccc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])cc2)cc1 919585417 LXNGMEHMUMZSMA-HNNXBMFYSA-N 448.431 4.232 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)cc1[N+](=O)[O-] 919760227 ORQWLNYFHYKQIE-UHFFFAOYSA-N 448.435 4.036 5 20 IIBD C[C@H](c1cccc(C(F)(F)F)c1)N(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C1CC1 920306437 ZVDXTSFPODGCKW-GFCCVEGCSA-N 433.386 4.393 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)Nc1ccc2c(c1)CCCN2C)c1ccccc1[N+](=O)[O-] 920785434 ZMLFEXZWUABDIY-LJQANCHMSA-N 440.500 4.182 5 20 IIBD C[C@@H](CCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(C)C(=O)OC(C)(C)C 1116839778 QGUJNVYQLLSFRA-LBPRGKRZSA-N 448.442 4.058 5 20 IIBD COc1ccc(-c2nnc(-c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)o2)cc1Br 1257969880 GKWCJNINVOOFES-UHFFFAOYSA-N 442.229 4.269 5 20 IIBD O=C(Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1)c1cc2c(cn1)OCCC2 1320104552 YNYWDIHVHQSBMO-UHFFFAOYSA-N 444.399 4.307 5 20 IIBD O=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1cccc([N+](=O)[O-])c1N1CCOCC1 1320657393 LZWYWLSPKHRJNL-UHFFFAOYSA-N 438.415 4.010 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 1321613629 FDOGRBVIYXRPEX-KRWDZBQOSA-N 428.247 4.296 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2C)cc1 1322613544 IKBFXDUTWMVINJ-YWZLYKJASA-N 446.525 4.322 5 20 IIBD O=C(NCCNc1ccccc1[N+](=O)[O-])c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1 1337502363 BNXHJYUCSPXXBW-UHFFFAOYSA-N 442.479 4.048 5 20 IIBD Cc1scc(C(=O)Nc2ccc(C3(NC(=O)c4nc[nH]c4[N+](=O)[O-])CCC3)cc2)c1C 1787563228 GHSOLCOZOGOUAQ-UHFFFAOYSA-N 439.497 4.058 5 20 IIBD Cc1cccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])[nH]4)CCC3)cc2)c1 1787760089 UTMOXSRMJVJEFL-UHFFFAOYSA-N 432.480 4.222 5 20 IIBD CC[C@@H](C(=O)NC1(c2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)CCC1)c1ccccc1 1789687943 PQFXSMIOZPMLKT-LJQANCHMSA-N 447.495 4.259 5 20 IIBD CC(C)(C)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3cccc([N+](=O)[O-])c3)CCC1)C2 1795475917 HCLXWIQSSLTVSF-REPLKXPHSA-N 427.545 4.091 5 20 IIBD CC[C@H](C)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2cccc([N+](=O)[O-])c2)CCC1 1800038620 KHIOWFMHAWMZBD-FFGOWVMKSA-N 427.545 4.091 5 20 IIBD Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)[nH]n2)c(C)c1 1820476803 ZEMHNTXVHFQZFC-QGZVFWFLSA-N 437.456 4.147 5 20 IIBD CCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2cc(F)ccc2[N+](=O)[O-])[nH]n1 1821940064 NKDZTDQPUMGBAG-GOSISDBHSA-N 445.495 4.128 5 20 IIBD Cc1ccc(C)c(C(=O)N2CC3(CCCN3C(=O)c3cc(Cl)cc([N+](=O)[O-])c3C)C2)c1 1845500374 VEWRINJZFKXGDR-UHFFFAOYSA-N 441.915 4.304 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2c(Cl)ccc(Cl)c2Cl)c([N+](=O)[O-])c1 8629018 JFQXCULJFHUSBD-UHFFFAOYSA-N 433.631 4.359 5 20 IIBD COc1cc(C(=O)OCc2ccccc2Br)c([N+](=O)[O-])cc1OC(F)F 10209388 PVZHHIUPOPWWIC-UHFFFAOYSA-N 432.173 4.324 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nc2ccc([N+](=O)[O-])cc2s1 10592247 XULNOMYZWXFGLV-VIFPVBQESA-N 434.455 4.241 5 20 IIBD O=C(COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)c1ccccc1 10757457 LQISFHJYMHRFNR-NTCAYCPXSA-N 430.416 4.021 5 20 IIBD C[C@H](OC(=O)CCc1ncc(-c2ccccc2Cl)o1)C(=O)Nc1ccccc1[N+](=O)[O-] 12254398 WADNALKVWAQJQM-ZDUSSCGKSA-N 443.843 4.406 5 20 IIBD Cc1ccc(N(Cc2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 14352237 IXVIQAZADKWPMM-UHFFFAOYSA-N 440.477 4.070 5 20 IIBD CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CSc1ccc([N+](=O)[O-])cc1 14570926 DGVRKUNSCQMOOZ-UHFFFAOYSA-N 446.916 4.016 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 15644179 CDLXUJNZWIJCIA-SNVBAGLBSA-N 427.240 4.403 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Sc2nnc(NCc3ccccc3)s2)c([N+](=O)[O-])c1 15849309 BZHOKTNSIYJSNQ-LBPRGKRZSA-N 445.526 4.186 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2csc(-c3cccc(Cl)c3)n2)c([N+](=O)[O-])c1 17980611 GPCZCVCOVMWVBR-UHFFFAOYSA-N 447.856 4.176 5 20 IIBD O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1cc([N+](=O)[O-])ccc1N1CCCC1 20991215 ZWBRHLBBSNTXRA-UHFFFAOYSA-N 428.832 4.255 5 20 IIBD COc1cc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)ccc1OC(C)C 26941598 RJMGBTCDDITWGH-MRXNPFEDSA-N 427.501 4.482 5 20 IIBD O=[N+]([O-])c1ccc(OC(F)F)c(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1 63912048 MAKQTGXUKMOMOS-UHFFFAOYSA-N 430.282 4.155 5 20 IIBD O=C(Nc1ccccc1)C1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 64897627 OAVSGWWDVFVCBS-UHFFFAOYSA-N 436.493 4.209 5 20 IIBD CCC(CC)C(=O)N1CCC(NCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 236935397 PNZFMPUBPYPZBN-UHFFFAOYSA-N 429.517 4.380 5 20 IIBD CC(C)(C)N1CCC(Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])CC1 301098396 PPPUSJYZYMCOAX-UHFFFAOYSA-N 432.546 4.070 5 20 IIBD O=C(Nc1ccc(Cl)cn1)C1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 301115420 ULBUYOJKWDVDIL-UHFFFAOYSA-N 439.697 4.261 5 20 IIBD O=C(c1ccc(N2Cc3ccccc3-c3ccccc3C2)c([N+](=O)[O-])c1)N1CCOCC1 301187583 QCKDRROHZGPZGY-UHFFFAOYSA-N 429.476 4.254 5 20 IIBD CCc1ccc([C@@H](Nc2ccc([N+](=O)[O-])c(C)n2)c2cccc(S(C)(=O)=O)c2)cc1 301659307 MBPUTOWRPAZNST-JOCHJYFZSA-N 425.510 4.466 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(C(F)(F)F)(C(F)(F)F)C1 303653321 FLEVSJHYMMAARS-MRVPVSSYSA-N 433.736 4.392 5 20 IIBD CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 409819734 WUCGVKADYGOCAJ-UHFFFAOYSA-N 438.406 4.366 5 20 IIBD O=C(NC[C@@H](CO)Cc1ccccc1Br)c1cc2cc([N+](=O)[O-])ccc2s1 430180500 SUWWXIQOFLUWRE-LBPRGKRZSA-N 449.326 4.153 5 20 IIBD Cc1c(NC(=O)N[C@@H]2CCCn3nc(C(C)C)nc32)cc(Br)cc1[N+](=O)[O-] 435326986 FQBOGICWEKUYEN-GFCCVEGCSA-N 437.298 4.037 5 20 IIBD CC[C@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCc2ccccc2C1 436096996 AZLQHLVFLOBJQU-LJQANCHMSA-N 443.522 4.387 5 20 IIBD CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437005872 GNSJORREDZPCOU-UHFFFAOYSA-N 436.434 4.387 5 20 IIBD CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437235612 LISJMMDISPOYOD-GOSISDBHSA-N 436.434 4.135 5 20 IIBD O=C(Nc1ccc(F)cc1OC(F)F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 438692112 HUBBVYMCQDRQAG-UHFFFAOYSA-N 425.363 4.411 5 20 IIBD Cc1ccc(NC(=O)C(=O)Nc2ccc(OCc3cccc(F)c3)c(F)c2)cc1[N+](=O)[O-] 439323117 WKUNKIZPISIAOA-UHFFFAOYSA-N 441.390 4.338 5 20 IIBD CCOc1cc(C(=O)NCCc2cn(C)c3cc(Cl)ccc23)c([N+](=O)[O-])cc1OC 440729835 OWRCKXNFZZAMHD-UHFFFAOYSA-N 431.876 4.120 5 20 IIBD COc1cc(NC(=O)CCN(Cc2ccccc2[N+](=O)[O-])C2CC2)c(OC)cc1Cl 441226506 DXZAKPSXADZKQS-UHFFFAOYSA-N 433.892 4.259 5 20 IIBD COCCOc1ccc(C(F)(F)F)cc1NC(=O)CNc1c(C)ccc([N+](=O)[O-])c1C 443523981 USFYXJJKVNBZAU-UHFFFAOYSA-N 441.406 4.306 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cn(-c2cccc(Cl)c2)nn1 444011470 SGQHUVOKCVIDQD-UHFFFAOYSA-N 426.845 4.205 5 20 IIBD CN(C)C(=O)c1cc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)ccc1F 444241323 SILDJRIUIKTKDW-UHFFFAOYSA-N 439.393 4.053 5 20 IIBD COc1cnccc1-c1noc(-c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)n1 445630301 YBEZUJXPMMYLAP-UHFFFAOYSA-N 433.211 4.208 5 20 IIBD O=C(NCCCNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])c1ccc(F)cc1 447684808 DXNFHQAHEWPFRX-UHFFFAOYSA-N 436.312 4.015 5 20 IIBD Cc1c(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 460584565 JFAFBIMVPHKCSQ-GCKAQTDUSA-N 425.876 4.264 5 20 IIBD CCc1c(-c2ccc(Br)cc2)n[nH]c1NC(=O)Cc1cccc([N+](=O)[O-])c1 460991349 JUBQEZHQVRJEGT-UHFFFAOYSA-N 429.274 4.491 5 20 IIBD CC1(C)CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCOC2)Cc2ccccc21 461362250 IKVSYEDLLRPSKH-QGZVFWFLSA-N 433.512 4.188 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(OC[C@@H]3CCCCO3)CC2)nc1OCc1ccccc1 462505056 BLOKRXPZXWKOPE-FQEVSTJZSA-N 427.501 4.123 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCc1ccccc1OCc1ccccc1 464007500 UQUMRGCOXIALQX-UHFFFAOYSA-N 433.464 4.046 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)Oc1ccc(Br)cc1 464639708 PGYFJSGGZOSCJI-OLZOCXBDSA-N 439.331 4.422 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1nc(-c2cc3ccccc3o2)cs1 465133525 VGMNVDNGRRWSEH-UHFFFAOYSA-N 437.433 4.417 5 20 IIBD CCCCc1ccc([C@@H](NC(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)C(C)C)cc1 468143457 HEBIEKGGGYHKLT-NRFANRHFSA-N 447.557 4.020 5 20 IIBD NC(=O)[C@@H]1CCC[C@@H](C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)C1 469379692 UCEMREOFAWTEKE-ZIAGYGMSSA-N 449.866 4.088 5 20 IIBD O=C1CCCC[C@@H]1[C@@H]1CCCN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 471939345 CSWNYFYLNPPHLB-ZBFHGGJFSA-N 427.423 4.166 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCC[C@H]2Cc2ccccc2)cc1OC 476725785 FDECHZONZTWWGM-ICSRJNTNSA-N 442.512 4.160 5 20 IIBD O=c1c(Cl)cc([N+](=O)[O-])cn1Cc1nc(O)c2c(-c3ccccc3Cl)csc2n1 477529151 OUYNUVSFSHNAHA-UHFFFAOYSA-N 449.275 4.489 5 20 IIBD CN(Cc1ccc(OCC(=O)O)cc1)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 478818670 AHPGALCJVGWTLX-UHFFFAOYSA-N 436.420 4.123 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1 478833920 DHHCZRVMYZAANY-CQSZACIVSA-N 447.413 4.048 5 20 IIBD COc1ccc(CNC(=O)c2cnn(-c3ccccc3Cl)c2C(C)C)cc1[N+](=O)[O-] 479652933 OOQDBSMLKDVAIP-UHFFFAOYSA-N 428.876 4.496 5 20 IIBD CCOCCC1(CNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CCC1 481669174 MWNVISIAAZGQLD-UHFFFAOYSA-N 441.315 4.414 5 20 IIBD CNC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)cc1 482015607 LSFTUCRAFMFRKL-UHFFFAOYSA-N 438.871 4.472 5 20 IIBD O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C\c1csc(-c2ccc3c(c2)OCO3)n1 483180731 REPLPIKAOADGFE-KPKJPENVSA-N 446.444 4.101 5 20 IIBD CCC1(CC)[C@@H](OC)C[C@H]1N(C)C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 484029168 ZSWIMMSJKHBGEP-UXHICEINSA-N 428.533 4.122 5 20 IIBD Cn1c(=O)n(C)c2cc(NC(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)ccc21 486604457 JVYXGBYFQHNHGC-UHFFFAOYSA-N 434.477 4.189 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2nc3ccccc3n2C(C)C)cc1OC 495502231 OMGAZOZYXIYMTN-AWEZNQCLSA-N 426.473 4.424 5 20 IIBD CN1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)[C@@H]1c1ccc(Cl)c(F)c1 498391891 XMIMJPSVFCMGTL-SZNDQCEHSA-N 442.878 4.358 5 20 IIBD Cc1c(C(=O)N2CC=C(c3cccc4ccccc34)C2)nnn1-c1cccc([N+](=O)[O-])c1 501611225 CKENODPSEGAFJG-UHFFFAOYSA-N 425.448 4.177 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)cc1[N+](=O)[O-] 503204058 YKSLUULSJNRYMV-UHFFFAOYSA-N 449.496 4.271 5 20 IIBD Cn1ccnc1Sc1ccc(F)cc1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 503593440 YLXATLYXXKCFGQ-UHFFFAOYSA-N 429.477 4.449 5 20 IIBD CCCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1C)C(=O)Nc1cccc(N2CCCC2)c1 505537313 YRMZSULGDKUNJT-NRFANRHFSA-N 438.528 4.431 5 20 IIBD C[C@@H]1CCCCN1C[C@@H]1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 505914387 YREKQZMFTGRKNC-SJORKVTESA-N 428.558 4.445 5 20 IIBD Cc1ccc([C@H](CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)N2CCCC2)o1 506379297 BKCHHHYXIOVVNX-SFHVURJKSA-N 426.498 4.187 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCCN(C)Cc2ccccc2)cc1[N+](=O)[O-])c1ccccn1 507434297 QJNLZGIPSNCJRY-SFHVURJKSA-N 433.512 4.025 5 20 IIBD CC(C)Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2I)c(F)c1 509216611 VPGRZUGDCRHJHJ-UHFFFAOYSA-N 444.200 4.378 5 20 IIBD CC[C@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(OC)c(OC)c1 509601453 LIBMNIUAOZJEKJ-FQEVSTJZSA-N 443.500 4.316 5 20 IIBD CN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(Br)cc1F 509719226 NHXONUKSMDANRX-UHFFFAOYSA-N 436.281 4.376 5 20 IIBD O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 510310771 NDCCSKLTPSDASL-UHFFFAOYSA-N 448.361 4.093 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCN(CC(F)(F)C(F)F)CC1 511870553 AQBCLOJUFCLNOJ-UHFFFAOYSA-N 441.381 4.045 5 20 IIBD COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 513910968 IMUCDJWHYFVDQS-UHFFFAOYSA-N 448.357 4.147 5 20 IIBD COc1ccc(CNC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)cc1[N+](=O)[O-] 515731829 RWBXFXCNIXBEIY-UHFFFAOYSA-N 440.456 4.381 5 20 IIBD COc1ccc(CNC(=O)NCC2(c3cccc(Br)c3)CCC2)cc1[N+](=O)[O-] 516553128 DVLNAYBULKXKIQ-UHFFFAOYSA-N 448.317 4.287 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2nnc(-c3ccccn3)s2)cc1[N+](=O)[O-])c1ccccn1 517661556 ALXPEHKUQNKLLK-CYBMUJFWSA-N 447.480 4.329 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2C)cc([N+](=O)[O-])c1 518904177 YTJLEAHUKPEZRJ-UHFFFAOYSA-N 439.468 4.005 5 20 IIBD CCCOc1cc(NC(=O)C(=O)N(C)[C@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OCCC 519048007 PDEGPQAYVBTMKE-CVEARBPZSA-N 435.521 4.148 5 20 IIBD CN(C)[C@@H](CN[C@@H](c1cccc([N+](=O)[O-])c1)c1nccn1C)c1cccc(C(F)(F)F)c1 519197291 CSSWMPLQPIMUSD-PMACEKPBSA-N 447.461 4.329 5 20 IIBD CC[C@@H](C)NC(=O)c1ccc(NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)c(C)c1 521356158 PNUJSJIMASLQEZ-OAHLLOKOSA-N 445.541 4.312 5 20 IIBD COc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 521775543 JOZNJGAKIGLHDL-UHFFFAOYSA-N 430.457 4.134 5 20 IIBD CCCCN(Cc1ccccc1F)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 524205661 QUTQSDYIPHLFCR-UHFFFAOYSA-N 443.504 4.456 5 20 IIBD CCOc1cc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1O[C@H](C)C(=O)N(C)C 531206456 FHWFRMNZFKFSMG-DLBZAZTESA-N 429.517 4.008 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2)c1ccccc1[N+](=O)[O-] 532689372 JHYBFUXGWRORKD-BNLHITBZSA-N 432.492 4.402 5 20 IIBD CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 536239280 LXPREFGEDULXKX-UHFFFAOYSA-N 437.283 4.294 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@H]3CCO[C@H]3c3ccc(F)c(F)c3)cc2[N+](=O)[O-])CC1 537237684 NCQBMAAMMNBLDQ-UGKGYDQZSA-N 445.466 4.369 5 20 IIBD COc1cc(CN2CCC[C@H]2Cn2cnc3ccccc32)c([N+](=O)[O-])cc1OC(F)F 537681858 ZXUYTRFZQGIPMQ-HNNXBMFYSA-N 432.427 4.219 5 20 IIBD CS[C@@H](C)CCC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 538009137 WHGIFHDMZWYDDO-AWEZNQCLSA-N 437.543 4.174 5 20 IIBD O=[N+]([O-])c1ccc(Sc2nnc(-c3cnccn3)n2Cc2ccco2)cc1OC(F)F 538936611 GXDXTDOZNSHFJD-UHFFFAOYSA-N 446.395 4.037 5 20 IIBD O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1O)c1cnn(-c2ncccc2Cl)c1C(F)F 541821000 MWUCQVILTCRPGK-UHFFFAOYSA-N 444.181 4.378 5 20 IIBD O=[N+]([O-])c1ccc2c(ccn2Cc2nc(Cc3ccc(F)c(Br)c3)no2)c1 545652559 KUFFQUGLFAFKEI-UHFFFAOYSA-N 431.221 4.473 5 20 IIBD COc1ccccc1[C@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccccn1 551443160 WSYMBMVSAGWHPS-QHCPKHFHSA-N 432.480 4.462 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] 551733449 CXMXUNRNOMNFAM-MSOLQXFVSA-N 445.903 4.428 5 20 IIBD C[C@H](O)C[C@@H]1CCCCCN1C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 557568509 DTYRGQRVQVXCAL-STQMWFEESA-N 441.315 4.243 5 20 IIBD Cn1ccnc1[C@H](NCC1(c2cccc(Cl)c2)CCOCC1)c1cccc([N+](=O)[O-])c1 560527252 BXIPYSJLSOJISW-OAQYLSRUSA-N 440.931 4.409 5 20 IIBD COc1ccc(-c2cnc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)n2C)cc1 574074418 PPEJVEZYHODCPU-UHFFFAOYSA-N 431.246 4.019 5 20 IIBD C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)c1cccc([N+](=O)[O-])c1 578615461 IVTPGEFGBBVOHY-CYBMUJFWSA-N 433.395 4.277 5 20 IIBD COCC[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 582411349 PLLGHFLQUCBTQY-GOSISDBHSA-N 447.340 4.043 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)c3ncccc23)cc1OC 603447442 NLXHXUYGPYLAMT-UHFFFAOYSA-N 431.832 4.083 5 20 IIBD COc1cc(NC(=O)c2ccc([N+](=O)[O-])s2)c(C(=O)N2[C@@H](C)CCC[C@H]2C)cc1OC 603597100 YDVAFQPWVKGBCK-BETUJISGSA-N 447.513 4.329 5 20 IIBD CCCC(=O)Nc1ccc(CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 603902474 NSJWSRVHGROGID-UHFFFAOYSA-N 438.528 4.500 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)c2ccccc2OC(C)C)ccc1[N+](=O)[O-] 608804725 XPJHRCXODGMXCK-LAUBAEHRSA-N 439.512 4.172 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@H](c1ccccc1)[C@@H]1CCCO1 608807601 HRBKNUOPUZCMJQ-AZUAARDMSA-N 437.418 4.452 5 20 IIBD CC(C)Oc1ccc(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)c(C(F)(F)F)c1 608842285 NSBGDQOPFYCEDE-UHFFFAOYSA-N 425.407 4.443 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)c1C 608887148 PCAIIMGORPPQRG-UHFFFAOYSA-N 443.500 4.179 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CCC[C@@H](c3ccccc3)CC2)cc1[N+](=O)[O-] 608968012 LPTJIYSINWJALQ-QGZVFWFLSA-N 437.525 4.284 5 20 IIBD COCCNc1nnc(Sc2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])s1 608971134 BFQCKRXSMDTAFR-UHFFFAOYSA-N 445.526 4.217 5 20 IIBD Cc1ccc(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c(-c2nc3ccccc3[nH]2)c1 609502297 TTWFDQWUNNADSR-UHFFFAOYSA-N 439.435 4.280 5 20 IIBD CN(Cc1c(F)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])cc1Br 609962519 KSLJAUWMOWWKLI-UHFFFAOYSA-N 431.645 4.187 5 20 IIBD COc1cc(C(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)c([N+](=O)[O-])cc1OC(F)F 610068765 UFCXDEMJKBUYGZ-LLVKDONJSA-N 433.367 4.351 5 20 IIBD CC[C@H](c1ccccc1)c1nnc(NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)s1 610179870 OKEGYEKDEFMYKF-CQSZACIVSA-N 428.470 4.258 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCCCCn3ccnc3C)cc2[N+](=O)[O-])n1 610200133 SFLXOOIEVSRKNL-UHFFFAOYSA-N 431.543 4.226 5 20 IIBD Cc1sc(NC(=O)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)nc1-c1cccc([N+](=O)[O-])c1 610649920 UKKUHQKAMBOPCS-LBPRGKRZSA-N 445.522 4.172 5 20 IIBD CCOc1ccc(NC(=O)CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cc1 611202145 DDMSVEYVCNICAT-UHFFFAOYSA-N 443.525 4.397 5 20 IIBD Cc1ccnc(NC(=O)CN(C)C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)c1 612535381 XLNHKEBOLXVNDS-UHFFFAOYSA-N 442.541 4.291 5 20 IIBD COc1cc(CNCc2nn(C)c3ccccc23)c([N+](=O)[O-])cc1OCc1ccccc1 612692094 RBHSNLDWNVFLEP-UHFFFAOYSA-N 432.480 4.359 5 20 IIBD CC(C)CNC(=O)c1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 614748124 ZYUSTSSZNDSMJW-UHFFFAOYSA-N 427.504 4.179 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCN[C@@H](c3ccccc3Cl)C2)cc1[N+](=O)[O-] 619777855 DFAFEWRNNOLEMJ-MRXNPFEDSA-N 438.709 4.106 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N(Cc1ccccc1)C[C@@H](O)C(F)(F)F 672945612 PEHKVPZOVBJKJT-OAQYLSRUSA-N 440.421 4.247 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccc(Cl)cc1 725986089 RXBSXAAUPAJKGN-SNVBAGLBSA-N 441.665 4.045 5 20 IIBD O=C(O)c1ccc(Oc2ccccc2)c(NS(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])c1 728507643 UBEYJOOSYCXKLF-UHFFFAOYSA-N 432.385 4.025 5 20 IIBD CCN1CCN(c2ccc(NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)cc2)CC1 729034651 RCNUUIGAUQUCHZ-UHFFFAOYSA-N 425.533 4.179 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2ccc(-c3ccc(F)cc3)cc2F)c([N+](=O)[O-])c1 730055607 GHWYKZXHKGHDID-UHFFFAOYSA-N 442.374 4.344 5 20 IIBD CC(=O)c1ccc(N2CCC(OC(=O)CCCNc3ccc([N+](=O)[O-])cc3)CC2)cc1 730414687 ZTNITRHJVBNWRO-UHFFFAOYSA-N 425.485 4.202 5 20 IIBD CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)OCCOc1cccc([N+](=O)[O-])c1)O[C@@H](C)C2 730658727 YXIGKTHSYCYNRE-ADLFWFRXSA-N 427.453 4.043 5 20 IIBD Cn1cc(C(=O)OC[C@H]2CCCN(Cc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 734294802 WOMQHQCBYDRQAE-IBGZPJMESA-N 434.496 4.064 5 20 IIBD CCc1ccc(OC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c([N+](=O)[O-])c1 734739273 FFADVWQIDVJYMX-UHFFFAOYSA-N 429.432 4.135 5 20 IIBD Cc1ccc(-c2nc(C)c(C(=O)OCCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)s2)o1 735344008 LRPDRTPQPDRNQI-UHFFFAOYSA-N 443.437 4.083 5 20 IIBD CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 735397818 FILJKLDSQIELEJ-WTANOLMUSA-N 430.457 4.009 5 20 IIBD CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] 736298700 JJHSTLFHRWJPFU-QLJPJBMISA-N 434.848 4.433 5 20 IIBD CSc1ccc(C(=O)OC[C@@H]2CC(=O)N(C)[C@H]2c2cccc(Cl)c2)cc1[N+](=O)[O-] 737383216 YONKRZJWSYYYLL-LIRRHRJNSA-N 434.901 4.347 5 20 IIBD Cc1sc(=O)n(CC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1-c1ccc(F)cc1 739589769 PWBKWXTZIQGPJP-UHFFFAOYSA-N 443.500 4.072 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C(=O)N[C@@H](C)c1ccc(Cl)cc1 744563166 YOFJSWMERYEDNO-GJZGRUSLSA-N 445.903 4.271 5 20 IIBD Cc1nc(CCCC(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)cs1 750155200 JWVXUAZJUXOMJH-UHFFFAOYSA-N 429.502 4.170 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CCC[C@H]1CN1CCCCC1 750864591 NMQPHZJUERLHJB-ZDUSSCGKSA-N 430.730 4.101 5 20 IIBD O=C(Nc1cccc(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1)c1cccs1 751269097 FEFGEZDXUUPCAD-UHFFFAOYSA-N 437.886 4.363 5 20 IIBD Cc1c(Br)cc(C(=O)O[C@@H](C)C(=O)Nc2cc(F)ccc2F)cc1[N+](=O)[O-] 753432081 KREMEFVLYBMYGJ-VIFPVBQESA-N 443.200 4.128 5 20 IIBD Cn1ncnc1COC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 754482687 QEWOUONNFFVPBU-GDNBJRDFSA-N 435.465 4.007 5 20 IIBD CC(C)[C@@H](OC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)NCc1ccccc1F 754988295 LWQAHOSJASCEMP-QGZVFWFLSA-N 426.803 4.024 5 20 IIBD COc1ccccc1COc1cccc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1C 759104816 XCIBWGQNCVHWBO-UHFFFAOYSA-N 446.456 4.431 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760531115 ORPMBCZPROOEDW-QGZVFWFLSA-N 431.445 4.083 5 20 IIBD Cc1c(Br)cc(-c2nc(-c3ccc(N4CCOC4=O)cc3)no2)cc1[N+](=O)[O-] 761745333 MGDKMHHWSPVAOF-UHFFFAOYSA-N 445.229 4.339 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(-c3nc(Cc4ccc([N+](=O)[O-])cn4)no3)cc2[N+](=O)[O-])C1 762324953 LEUWHOMNIBKLRC-ZIAGYGMSSA-N 438.444 4.021 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1)c1ccccc1 764150727 XLUMGSLBCSEHKS-UHFFFAOYSA-N 428.404 4.252 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N(Cc1ccco1)C[C@H]1CCCO1 764607019 XCVXTXKFPIOZHZ-CYBMUJFWSA-N 443.681 4.425 5 20 IIBD COc1cc(COC(=O)CCc2cncc3ccccc23)c([N+](=O)[O-])cc1OC(F)F 765568702 SYTSMPJLNYWRDM-UHFFFAOYSA-N 432.379 4.429 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 765722146 BCJKDPHQCULGEA-OAQYLSRUSA-N 435.546 4.180 5 20 IIBD CC[C@H](C)c1ccc(N(CCC2OCCO2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 767533321 DKBUPKBSUHMHEP-INIZCTEOSA-N 434.514 4.067 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)c1ccc(OS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 767599385 VRXOWCYSLNEBJH-GFCCVEGCSA-N 440.449 4.087 5 20 IIBD O=C(NCCCOC1CCN(Cc2ccccc2)CC1)Nc1ccc([N+](=O)[O-])c(Cl)c1 769998498 PQFWOAHBCVBBBT-UHFFFAOYSA-N 446.935 4.441 5 20 IIBD O=C(O[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1ccc([N+](=O)[O-])cc1Cl 770313390 NFAHUSXEQOKJPK-OAHLLOKOSA-N 428.750 4.229 5 20 IIBD O=C(OCC1CCC(C(F)(F)F)CC1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 770373135 HJRHHQYTZPHXTH-WXRRBKDZSA-N 434.436 4.173 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1c(Br)cccc1[N+](=O)[O-] 770378817 IJKVTVVRNHPQIC-OLZOCXBDSA-N 428.327 4.235 5 20 IIBD Cc1nc(CCNc2ccc([N+](=O)[O-])c(NCCc3csc(C)n3)c2[N+](=O)[O-])cs1 771146758 LXDLLXJTUCOKPJ-UHFFFAOYSA-N 448.530 4.342 5 20 IIBD CC(C)[C@@H](OC(=O)c1sc(Br)cc1[N+](=O)[O-])C(=O)Nc1ccccc1F 773606965 YXRRTKHQTMMYPL-CYBMUJFWSA-N 445.266 4.378 5 20 IIBD Cc1c(Br)cc(C(=O)OCc2cc(COC(C)(C)C)on2)cc1[N+](=O)[O-] 775200341 VYQOGTMWMQPTSB-UHFFFAOYSA-N 427.251 4.326 5 20 IIBD Cc1oc(-c2cccs2)nc1CC(=O)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 778800871 GVFYMBGJWJEDJR-AWEZNQCLSA-N 431.445 4.123 5 20 IIBD O=C(OCc1nnc(-c2cccc(Cl)c2)o1)c1cc([N+](=O)[O-])ccc1OC(F)F 778887211 ODXLULHZOOWJHH-UHFFFAOYSA-N 425.731 4.257 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H](O)c1c(Cl)cccc1Cl 778931145 RZFUQEKJTOBQPH-VXJOIVPMSA-N 435.210 4.355 5 20 IIBD Cc1nc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(Br)c3)ccc2s1 781121085 VXQNRFWMPKKTRN-UHFFFAOYSA-N 428.289 4.076 5 20 IIBD O=C(Nc1ccc(NC[C@H]2CCCO2)c(F)c1)c1cccc([N+](=O)[O-])c1Br 782172414 KTJJMVADHDZRKD-GFCCVEGCSA-N 438.253 4.340 5 20 IIBD Cc1cc(C(=O)CCC(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)c(C)s1 783364247 AACHQDGBAWLASW-UHFFFAOYSA-N 431.514 4.091 5 20 IIBD Cc1c(C(=O)OCc2ccc([N+](=O)[O-])c(F)c2)c(=O)oc2ccc(Br)cc12 784096831 YNFZVUGNHNJYFI-UHFFFAOYSA-N 436.189 4.268 5 20 IIBD C[C@H](OC(=O)C1(C(=O)O[C@@H](C)c2ccccc2[N+](=O)[O-])CC1)c1ccccc1[N+](=O)[O-] 785326860 PHTJATIWXUFTSK-KBPBESRZSA-N 428.397 4.192 5 20 IIBD O=C(OCCc1cccc(Cl)c1Cl)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 788942641 ZVUSBVOJWAWCJB-CYBMUJFWSA-N 443.308 4.354 5 20 IIBD C[C@H](OC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc2ncccc12 790744601 HIHIMHXETBXRIA-NSHDSACASA-N 431.807 4.048 5 20 IIBD CC(C)n1ncnc1COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 791045472 WNTNUFSKFQPFHA-UHFFFAOYSA-N 428.832 4.009 5 20 IIBD O=c1oc2cccc([N+](=O)[O-])c2n1CN(Cc1cc(Br)ccc1F)C1CC1 794624574 WWEFVASPTHWOHF-UHFFFAOYSA-N 436.237 4.026 5 20 IIBD CCC(=O)c1ccc(N2CCN([C@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)c([N+](=O)[O-])c1 795067221 QZKVKXDMNLQZAY-QGZVFWFLSA-N 449.511 4.429 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)CCc1c(C)nc2c3cccnc3nn2c1C 796527118 AMXRHMVJPBIDQK-UHFFFAOYSA-N 438.875 4.336 5 20 IIBD O=[N+]([O-])c1ccc(CN[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)c([N+](=O)[O-])c1 796598964 GZYQLRQFEVAXDJ-GOSISDBHSA-N 425.363 4.013 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Oc1cc(F)c(Cl)cc1Br 797318380 LIOXTSYNZIKAKW-UHFFFAOYSA-N 428.601 4.105 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)cs1 798463960 DOAWJITVDRKKAM-UHFFFAOYSA-N 438.424 4.325 5 20 IIBD CC(C)(C)OC(=O)NCC[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 799374631 IDFKILQPPQYDDQ-CYBMUJFWSA-N 426.901 4.407 5 20 IIBD O=C(CC(F)(F)F)Nc1ccc(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc1 801888038 HXTWQZVEVPYUPU-UHFFFAOYSA-N 430.770 4.461 5 20 IIBD O=C(OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1cc([N+](=O)[O-])ccc1SCCO 811165285 BGRVVWQKZJFCLZ-UHFFFAOYSA-N 447.252 4.251 5 20 IIBD CN(C)C(=O)Nc1cccc(C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 811215142 NZTOBIYZAGAGQS-UHFFFAOYSA-N 426.454 4.169 5 20 IIBD C[C@H](OC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(=O)N[C@H](C)c1ccc(F)cc1 811374495 IGAFZZCEICRBCJ-ZJUUUORDSA-N 429.231 4.463 5 20 IIBD CCCc1nc(C)c(CNc2cc(Br)c(C(=O)OCC)cc2[N+](=O)[O-])o1 813635254 OWBWHBKVXYDWDJ-UHFFFAOYSA-N 426.267 4.395 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C2)C1 814478294 RBQOCURSERGQLL-DLBZAZTESA-N 432.521 4.486 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)OCc2cn(C)nc2Cl)cc1[N+](=O)[O-] 816155135 SRUIFFMPOOJLNI-UHFFFAOYSA-N 445.884 4.292 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc(C(C)C)nc3onc(C)c23)cccc1[N+](=O)[O-] 858006227 QTLHDADMDJHPTA-CYBMUJFWSA-N 426.429 4.055 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1cnn(-c2ccccc2F)c1-n1cccc1 914448420 CSVLJXPDBCDXHD-UHFFFAOYSA-N 427.342 4.241 5 20 IIBD CC(C)(C)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2I)cc1 915294102 RPQOIHJSVCZERU-UHFFFAOYSA-N 438.265 4.427 5 20 IIBD COc1ccc(-c2nc(CN3CCN(Cc4cccc([N+](=O)[O-])c4C)CC3)cs2)cc1 917085782 DRFOXDXGVKQODL-UHFFFAOYSA-N 438.553 4.353 5 20 IIBD CCOC(=O)N[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 918992674 AEUTXHXYKNAIQK-MRXNPFEDSA-N 447.875 4.391 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NC[C@H]2COc3ccccc3C2)cc1[N+](=O)[O-])c1ccccn1 919694577 YNPVOOQUBOWFFL-SJORKVTESA-N 432.480 4.144 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 919868196 RSPUNCPKMMAQJC-JLHYYAGUSA-N 435.524 4.284 5 20 IIBD CS(=O)(=O)Nc1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cc1 920114377 KGNKHERWATXLIW-UHFFFAOYSA-N 444.490 4.337 5 20 IIBD C[C@H](c1ccc(Cl)cc1)N(CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)C1CC1 920305767 OZLHUPYVXAZKBK-JLCFBVMHSA-N 442.903 4.198 5 20 IIBD O=C(NCc1cc(Br)c2c(c1)OCCO2)Nc1ccc(Cl)c([N+](=O)[O-])c1 921110503 BLJSCEQIBUSUBE-UHFFFAOYSA-N 442.653 4.104 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)Nc2cccc(F)c2F)cc1 921291681 VZWKPFGORWGAQQ-UHFFFAOYSA-N 448.403 4.201 5 20 IIBD COc1ccc([C@H](Nc2nc3ccccn3c2[N+](=O)[O-])c2ccc(OC)cc2OC)cc1 1116026502 JKURSSPQANMWDG-NRFANRHFSA-N 434.452 4.470 5 20 IIBD CC(C)(C)N1CCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 1317960813 MDQOSRXVYMQNNN-HXUWFJFHSA-N 430.936 4.344 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Br)c1nc(C2CC2)n(-c2ccccc2)n1 1319012678 SHJVMHXUOBNQHA-UHFFFAOYSA-N 443.257 4.172 5 20 IIBD COc1ccc(Sc2nsc(NC(=O)CCOc3ccccc3[N+](=O)[O-])n2)cc1 1319503686 ULWSZGJNEFCSEP-UHFFFAOYSA-N 432.483 4.014 5 20 IIBD O=C(COC(=O)c1csc(-c2ccco2)n1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1321558226 IVHONUNDKAFZKW-UHFFFAOYSA-N 441.343 4.126 5 20 IIBD COc1cc(Br)c(OC)c(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c1 1321645724 HKSFVRKCWTYDBK-UHFFFAOYSA-N 447.188 4.228 5 20 IIBD CCOc1ccc(-c2nnc([C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)o2)cc1OC 1322862694 MPPBXGOPKHXPTG-CYBMUJFWSA-N 444.469 4.091 5 20 IIBD CCN(CC)Cc1ccc(-c2nnc(Cc3ccc([N+](=O)[O-])cc3Br)o2)o1 1325768610 BPENHRBSQYNTOC-UHFFFAOYSA-N 435.278 4.433 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC2(CCCN(C(=O)/C=C/c3ccco3)C2)CC1 1807142359 VZCLXIYIFKRULS-GFULKKFKSA-N 449.507 4.146 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC2(CCCN(C(=O)C3CCCCC3)C2)CC1 1808973087 PXCTYXAKRWPBLU-UHFFFAOYSA-N 431.508 4.159 5 20 IIBD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2)CC1 1830028307 XTRGNSYXVHUPAC-LJQANCHMSA-N 444.919 4.123 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC2(CCCN2C(=O)c2ccoc2Cl)C1 1844844974 ZJEHJRYKTAJKRE-UHFFFAOYSA-N 445.884 4.187 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NOCc1ccccc1 10319220 DLHSEOFCQKILKK-UHFFFAOYSA-N 428.448 4.238 5 20 IIBD Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 10898979 LJEBGSQBKIEJCI-FQEVSTJZSA-N 431.920 4.360 5 20 IIBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H](CCCc1ccccc1)c1ccccc1 11078392 TVCRLQPRUAPZFJ-HSZRJFAPSA-N 431.492 4.205 5 20 IIBD C[C@@H](OC(=O)CSc1ccccc1[N+](=O)[O-])C(=O)N(c1nccs1)C1CCCCC1 11837709 FKOZHPKBUMFPQA-CQSZACIVSA-N 449.554 4.441 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)c2cc(C)n(-c3cc(C)on3)c2C)c1 16196765 DGDBPDBGGZQSTL-UHFFFAOYSA-N 429.454 4.060 5 20 IIBD C[C@H](c1cccs1)N(C)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 16273166 JTNIZSKOHAEHES-CQSZACIVSA-N 445.522 4.290 5 20 IIBD Cc1cccc(OCCC(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 21349391 UJKGIHUDUPUZMA-CYBMUJFWSA-N 440.374 4.261 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(I)c1 23110005 RTXPXJWMRNBFGC-SNVBAGLBSA-N 428.251 4.319 5 20 IIBD CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 24520988 QZDSWWWENSGERX-KRWDZBQOSA-N 427.501 4.165 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)c1 60397742 HZTVIOVTQFSARB-UHFFFAOYSA-N 425.485 4.327 5 20 IIBD Cc1cc(CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)ccc1Oc1ccc(F)cc1 63624002 RWYIMVZZGKAINC-UHFFFAOYSA-N 447.426 4.345 5 20 IIBD COc1ccc(OC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)c([N+](=O)[O-])c1 105565244 YHDFQHYBYBZJGY-UHFFFAOYSA-N 440.412 4.271 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(NC(=O)NC2CC2)cc1 105655732 YTWIYFAYCHCBMD-UHFFFAOYSA-N 426.476 4.077 5 20 IIBD O=C(COC(=O)c1ccccc1Oc1cccnc1)Nc1ccc([N+](=O)[O-])cc1Cl 109710863 XPKPQZBZZARWGL-UHFFFAOYSA-N 427.800 4.231 5 20 IIBD COc1ccc(CNCc2cccnc2-n2cccn2)cc1OCc1ccc([N+](=O)[O-])cc1 237449000 LXDOAADQWULEOB-UHFFFAOYSA-N 445.479 4.053 5 20 IIBD Cc1c(Br)cc(-c2nc(-c3cnc(C4CCCC4)nc3N)no2)cc1[N+](=O)[O-] 426210118 WVRQWGALDSYEIA-UHFFFAOYSA-N 445.277 4.413 5 20 IIBD C[C@@H]1CN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@@H](c2ccsc2)O1 426267448 NISFLPXRJKOZGZ-BZNIZROVSA-N 429.420 4.347 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 427478902 IRXNUFQZVMNPBC-HNNXBMFYSA-N 437.525 4.136 5 20 IIBD O=C(NC1(c2ccc3c(c2)OCCO3)CCCC1)c1ccc(Br)cc1[N+](=O)[O-] 429879207 XFHSKFWPPOBNQQ-UHFFFAOYSA-N 447.285 4.328 5 20 IIBD Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] 434224385 DZRTZLKXJYBWDE-ZIAGYGMSSA-N 427.505 4.120 5 20 IIBD O=C(Nc1ccc(Cl)c(C(=O)NCc2ccccc2F)c1)c1cc([N+](=O)[O-])ccc1O 436954112 UGLKQCVYJLHKFM-UHFFFAOYSA-N 443.818 4.275 5 20 IIBD CC(C)CCOc1cccc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 437064080 NEUPZUPCDJKKQR-UHFFFAOYSA-N 425.485 4.149 5 20 IIBD COC(=O)CNC(=O)c1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 437120506 AOFCBRBWHQWYTJ-UHFFFAOYSA-N 443.843 4.023 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 437356199 NBBDGLPJTPQEGX-DOTOQJQBSA-N 434.901 4.189 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC(Oc4ccccn4)CC3)cc2[N+](=O)[O-])C1 438320120 XNBBZRMMAQTAOM-ROUUACIJSA-N 438.528 4.156 5 20 IIBD CCCCN1CCc2ccc(NC(=O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)cc21 438657492 VPPMTPGMAQZXRR-UHFFFAOYSA-N 438.528 4.133 5 20 IIBD CC(C)c1ccc(C(=O)Nc2cc3c(cc2Br)NC(=O)CO3)cc1[N+](=O)[O-] 439160168 YWOFJVVZNWTICL-UHFFFAOYSA-N 434.246 4.064 5 20 IIBD O=C(N1CCCC1)N1CCC[C@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)C1 440593543 FUGOSGLBHWHAAW-FQEVSTJZSA-N 436.512 4.056 5 20 IIBD O=C(NCCNc1cccc(Br)c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 444307607 ZGUCVAQNBZEGCY-UHFFFAOYSA-N 436.309 4.286 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 445245785 WDYBTQTWXFFXTA-CQSZACIVSA-N 445.863 4.004 5 20 IIBD Cc1ccc(NC(=O)C(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] 446761177 JFWMWWCXDDPPFS-UHFFFAOYSA-N 433.917 4.278 5 20 IIBD Cc1ccc(-c2nnc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)o2)c(C)c1 446777885 UNPASLWSUVCBOI-UHFFFAOYSA-N 442.375 4.081 5 20 IIBD Cc1ccc(S(=O)(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c(Br)c1 446933448 MWXDAIUCXOOPKD-UHFFFAOYSA-N 425.304 4.019 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)Nc3ccn(CC(F)(F)F)n3)cc2[N+](=O)[O-])cc1 448398097 PHKFRQGQMTVWOG-UHFFFAOYSA-N 436.415 5.066 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)CC[C@H]1c1ccccc1 460638772 GJKBQELKONPYJZ-CRAIPNDOSA-N 437.525 4.140 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C(=O)Nc2ccccc2OC)CC1 462434419 CROOFEYAQUYYKL-GOSISDBHSA-N 439.512 4.049 5 20 IIBD O=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 463351809 NQSPOOSDXWOFNT-UHFFFAOYSA-N 430.766 4.011 5 20 IIBD O=C(Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1cccnc1 463624262 OYCWFDMEWNKJRX-UHFFFAOYSA-N 444.369 4.191 5 20 IIBD COc1ccc2c(c1)CCC[C@@H]2CNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 463937646 OAKVATAIUAHNKX-OAQYLSRUSA-N 448.523 4.315 5 20 IIBD O=C(NCc1ccnc(OC2CCCC2)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465521228 NJLDGJMPXKZJNG-UHFFFAOYSA-N 440.500 4.064 5 20 IIBD CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 465635597 KHHVAZRVZGGJFX-YCRPNKLZSA-N 432.471 4.413 5 20 IIBD CCc1cccc(Oc2ccc(NC(=O)[C@H](CC)Nc3c([N+](=O)[O-])c(C)nn3C)cn2)c1 468394218 YGCPUDWJRRLPCL-SFHVURJKSA-N 438.488 4.216 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 470335589 YKYYEGIXWAKKHJ-UHFFFAOYSA-N 430.814 4.010 5 20 IIBD CCOC(=O)[C@@H](C)N(C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1)C1CC1 470749672 QLNWQXVZESCPQP-GFCCVEGCSA-N 435.527 4.067 5 20 IIBD CCc1cc(=NC(=O)c2cc3c(C(F)F)nn(C)c3s2)c2cc([N+](=O)[O-])ccc2[nH]1 471104584 RBVUFAKVDAEUGZ-UHFFFAOYSA-N 431.424 4.265 5 20 IIBD CCOC(=O)c1cc(C(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)cc([N+](=O)[O-])c1 472280479 XWZRDKMYOORMGQ-FQEVSTJZSA-N 439.855 4.339 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 473824279 VCSKVRLNUPLBSU-UHFFFAOYSA-N 444.538 4.478 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(CCC(F)(F)F)c1 478047777 OKTQDVVPOGRPES-UHFFFAOYSA-N 443.809 4.041 5 20 IIBD C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 478078330 PXYBOEXTVSPDEJ-OAHLLOKOSA-N 441.919 4.042 5 20 IIBD Cc1ccnc([C@H](NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C2CC2)n1 478486690 LMBXMCDNTOFRRN-QVKFZJNVSA-N 432.484 4.142 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CS(=O)(=O)Cc1nc(-c2ccccc2Cl)cs1 478717603 IWVHFKRYRHBXSL-UHFFFAOYSA-N 438.914 4.495 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@H](C)c3ccc(NC(N)=O)cc3)cc2[N+](=O)[O-])C1 480347044 FMDCKGYVJHAPAP-BZUAXINKSA-N 439.516 4.059 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)c1C 481595090 IFDUQKBBFJERON-HNNXBMFYSA-N 431.514 4.027 5 20 IIBD CCCOC1(CNC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)CCCCC1 482621775 IDVOOLZGQGWISW-UHFFFAOYSA-N 428.533 4.316 5 20 IIBD CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])c1 482909797 WXOKZWPQPUKMSU-CYBMUJFWSA-N 431.514 4.240 5 20 IIBD O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 484191532 QPQBSKXTCHLZGN-UHFFFAOYSA-N 438.871 4.169 5 20 IIBD O=[N+]([O-])c1ccc(Sc2nnc([C@H]3CCCNC3)n2C2CC2)nc1-c1ccc(F)cc1 485400798 SAQKWSPSQYPFAA-AWEZNQCLSA-N 440.504 4.341 5 20 IIBD COC(=O)c1cc2c(CNCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)ccc(OC)c2o1 487196323 RLUBAOUBKXKMPX-UHFFFAOYSA-N 438.358 4.445 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 487285057 HDWWAESFYJHWBK-UHFFFAOYSA-N 436.312 4.306 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCn2c(cc3c(Cl)cccc32)C1 487406000 DPGGNSSVTNWFNG-UHFFFAOYSA-N 438.915 4.462 5 20 IIBD Cc1ccc([C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1[N+](=O)[O-] 488032412 GOSKNEWNJVNUIB-AVRDEDQJSA-N 431.492 4.122 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N2CCc3ccc(Br)cc32)c([N+](=O)[O-])c1 488181274 RSZXUNJUQAHKSJ-UHFFFAOYSA-N 427.258 4.016 5 20 IIBD O=C(Nc1nnc(Cc2cccc(Cl)c2)s1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 489904181 IRKQBFBZOCOSTC-UHFFFAOYSA-N 440.872 4.129 5 20 IIBD Cc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1[N+](=O)[O-] 490434192 GFOMWDCKWNBPDV-SCLBCKFNSA-N 444.431 4.073 5 20 IIBD O=C(NCCn1cc([N+](=O)[O-])cn1)c1oc2ccccc2c1CSc1ccc(F)cc1 491005257 QRZTWGBBZSLTJC-UHFFFAOYSA-N 440.456 4.399 5 20 IIBD CCOC(=O)[C@@H]1CCCc2sc(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)nc21 493380854 AJKJGGHXLVUPLO-OAHLLOKOSA-N 447.516 4.373 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCN(C2CC2)c2ccccc21 494557658 MKCYEJXVLYUUJH-UHFFFAOYSA-N 428.297 4.079 5 20 IIBD CC(C)(CNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc(Cl)c(Cl)c1 495171864 IIXGWDXUUNXDQD-UHFFFAOYSA-N 440.331 4.422 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(CS(=O)(=O)C(C)(C)C)cc1 497786958 POVYHAMYFKEJID-CQSZACIVSA-N 436.555 4.427 5 20 IIBD C[C@H]1C[C@H](N(C)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCN1Cc1ccccc1 498495138 OLGQGJNUBAGWOI-LAUBAEHRSA-N 444.963 4.485 5 20 IIBD O=C(NC1(Cc2ccc(F)cc2Br)CCOCC1)c1csc([N+](=O)[O-])c1 498534417 AEQQIGYAOXLASH-UHFFFAOYSA-N 443.294 4.080 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 498832085 UMPFJBWWSIGLBS-LLVKDONJSA-N 427.427 4.266 5 20 IIBD CCN(Cc1cccc(-c2ccncc2)c1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] 500963680 HOQQLVJJWVJOMN-UHFFFAOYSA-N 425.510 4.051 5 20 IIBD Cc1nn(C)c2n[nH]c(NC(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3Cl)c12 503358803 MMGOZELQYWOYDE-UHFFFAOYSA-N 439.863 4.031 5 20 IIBD O=[N+]([O-])c1cc(F)c(CSc2nnc(CN3CCCC3)n2Cc2ccccc2)c(F)c1 505455529 NAEWMEQLGXVRGL-UHFFFAOYSA-N 445.495 4.401 5 20 IIBD O=C(NCc1ccco1)[C@H]1CCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 506458141 AEWZAYNDXZBVLB-LJQANCHMSA-N 429.860 4.382 5 20 IIBD CN(Cc1cccc(NS(=O)(=O)c2ccccc2)c1)Cc1c(F)cc([N+](=O)[O-])cc1F 509680952 LUMWTRSLVDEGCT-UHFFFAOYSA-N 447.463 4.306 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@H](C)[C@H]3CCCN(C4CCC4)C3)cc2[N+](=O)[O-])CC1 511271819 FUBYPCNJRFTLSQ-QUCCMNQESA-N 428.577 4.214 5 20 IIBD CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br 511785273 NEGXIWGHDUHYPA-IBGZPJMESA-N 446.345 4.388 5 20 IIBD COc1ccc(Cl)cc1-c1cc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)n[nH]1 512844373 HLRKXIDCVVYOBC-UHFFFAOYSA-N 425.832 4.240 5 20 IIBD CCOc1cc(C(=O)NCC2(c3cccc(OC)c3)CCCC2)c([N+](=O)[O-])cc1OC 517459187 MRCBCMPCCRHGFM-UHFFFAOYSA-N 428.485 4.253 5 20 IIBD C[C@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)c3cc(O)nc4ccc([N+](=O)[O-])cc34)cc2)C1 517643350 WPDLACDQGVKRGQ-CALCHBBNSA-N 448.523 4.257 5 20 IIBD O=[N+]([O-])c1cccc(OC[C@H](O)CSc2nccn2-c2ccc(C(F)(F)F)cc2)c1 518449464 JXSHLLYVXKVRTL-INIZCTEOSA-N 439.415 4.331 5 20 IIBD CC[C@@H](C)C(=O)Nc1cccc(CNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1 521188739 SSFAZMNTKYLMGW-GFCCVEGCSA-N 439.921 4.020 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1 521250987 YZHNWVUVDGHWRQ-HNNXBMFYSA-N 445.903 4.209 5 20 IIBD Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)N2CCCC2)cc1 523531691 RVZDQJWAFWAYQJ-LJQANCHMSA-N 432.318 4.233 5 20 IIBD Cc1nnc(Sc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)c(C)c2)s1 523727376 RALYLZHUYCOHEY-UHFFFAOYSA-N 436.540 4.324 5 20 IIBD C[C@@H](Nc1ccc(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1)c1ccccc1 524422571 VJBVLETTXMRHRJ-OAHLLOKOSA-N 444.447 4.003 5 20 IIBD CN(C)[C@@H](CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Cl)cc1 530841020 MJKSIYQWNVCSQZ-NRFANRHFSA-N 446.935 4.104 5 20 IIBD Cc1sc2nc(CS[C@@H](C)C(=O)N(C)c3cccc([N+](=O)[O-])c3)nc(O)c2c1C 533146669 LBYUVNJTWJKFFU-LBPRGKRZSA-N 432.527 4.207 5 20 IIBD C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1NS(=O)(=O)c1cccs1 533609505 WBAKOCLIDPWDOM-NSHDSACASA-N 437.524 4.010 5 20 IIBD CCc1cccc(C)c1NC(=O)C[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534061108 OYWLSKCLEGEPMP-PMERELPUSA-N 427.482 4.008 5 20 IIBD CC(=O)c1ccc(Cl)c(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)c1 534303231 SGMFTZSXYYHZSD-UHFFFAOYSA-N 444.612 4.308 5 20 IIBD Cc1cncc(CNc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])c1 536306624 DAHXGDUWJHAASB-UHFFFAOYSA-N 426.498 4.328 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1cc(F)cc2cccnc12)c1ccccc1[N+](=O)[O-] 536596115 WEZHDMFWLIYAPW-GOSISDBHSA-N 425.416 4.095 5 20 IIBD O=C(NC[C@@H]1CCCCN1C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1ccccc1 538388346 ZNKDNBPQRIFMQP-FQEVSTJZSA-N 444.491 4.082 5 20 IIBD O=C(N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 540544534 UIIMUKPDSMNCQO-WMZOPIPTSA-N 431.420 4.257 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H](c1ccccc1)N1CCC(F)(F)C1 540669645 MUNORSYVILRMOO-INIZCTEOSA-N 440.244 4.378 5 20 IIBD CCc1ccc([C@H](NCCCN2CCN(c3ccncc3)CC2)c2ccc([N+](=O)[O-])cc2)o1 541546121 OVNORMLSHJSBBE-RUZDIDTESA-N 449.555 4.037 5 20 IIBD O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc2sc3ccccc3c2s1 542587929 YBCPAUXLINZWOF-UHFFFAOYSA-N 446.531 4.228 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(c2nc(C3CCC(C)CC3)no2)CC1 546349414 RJEOSHGIEJXQMM-UHFFFAOYSA-N 448.545 4.148 5 20 IIBD COc1cc(Cc2noc(-c3csc(Cc4cccc(F)c4)n3)n2)ccc1[N+](=O)[O-] 547178087 FJDMHGAWBDDPNV-UHFFFAOYSA-N 426.429 4.431 5 20 IIBD COc1cc(CNCc2ccnc(N3CCCC3)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 551194246 OWDYWXYYPOJLPG-UHFFFAOYSA-N 448.523 4.467 5 20 IIBD O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N[C@H]1CCCC[C@@H]1c1ccccc1 551720410 ADVBIRZPBUEYOT-MSOLQXFVSA-N 446.301 4.138 5 20 IIBD O=C(NCC(=O)N1CCC(c2ccc(Cl)cc2Cl)CC1)c1cccc([N+](=O)[O-])c1 552611810 VDSJBPQMXCLXGV-UHFFFAOYSA-N 436.295 4.038 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)cc1Br 552759299 XRAXOLGZLFHWPA-UHFFFAOYSA-N 433.214 4.451 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@H]2CCN(c3ccccc3F)C2)cc1[N+](=O)[O-])c1ccccn1 553623198 OLLPBBKXTMJGIE-WMZOPIPTSA-N 449.486 4.311 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@H]2c2ncc(-c3ccccc3)[nH]2)c(F)c1 556394402 ZGGDTZOAUYHINM-SFHVURJKSA-N 430.461 4.040 5 20 IIBD Cc1n[nH]cc1C1CCN(C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 557173865 ZQHOWKAFLVRDCS-HZPDHXFCSA-N 425.533 4.128 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(C3(c4ccc(Br)cc4)CCOCC3)no2)cc1O 558389297 RBZDVGQDNLNDGS-UHFFFAOYSA-N 446.257 4.209 5 20 IIBD O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1CCOC[C@H]1[C@H]1CCCO1 561165286 KOMYSWUNUHCHKU-ZWKOTPCHSA-N 448.928 4.419 5 20 IIBD COc1cc(CN[C@H]2CCOC3(CCOCC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 561542432 JKEIDUJMCMUDCH-FQEVSTJZSA-N 442.512 4.000 5 20 IIBD COC(=O)c1scc(-c2ccc(C)cc2)c1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 561836225 AYICJUCTIIWVLF-UHFFFAOYSA-N 440.433 4.399 5 20 IIBD O=C(N[C@@H]1CCSc2ccc(Cl)cc21)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 569834458 JGXLQFJJSWATJJ-GOSISDBHSA-N 445.928 4.093 5 20 IIBD O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 574643941 FEKQKFJVWDZKTI-QFIPXVFZSA-N 439.487 4.273 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCCN(Cc3ccccc3)C2)cc1OC 580922979 IBPYYBKDDYIVDW-LJQANCHMSA-N 441.528 4.034 5 20 IIBD COc1ccc(Cn2cc(NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])cn2)cc1 582801788 GBXFRCHPXFRGOK-UHFFFAOYSA-N 432.889 4.232 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCC(Nc3ccc(C(F)F)cc3[N+](=O)[O-])CC2)cc1 589104734 ZHPDHRCVXPPNCL-UHFFFAOYSA-N 425.457 4.106 5 20 IIBD O=C(N[C@@H]1CC[C@](O)(C(F)(F)F)C1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 590433154 SGONHVYOYVDRPK-FZKQIMNGSA-N 432.464 4.453 5 20 IIBD COc1cc(C(=O)Nc2nc(CCO)cs2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 590558091 NRPXPKMEGHHVDG-UHFFFAOYSA-N 449.872 4.293 5 20 IIBD C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1cccc(NC(=O)Cc2ccccc2F)c1 603764559 MLEKSJJPEFYESC-CYBMUJFWSA-N 427.457 4.468 5 20 IIBD CS(=O)(=O)c1ccc(NCc2ccccc2COCc2ccccc2)c([N+](=O)[O-])c1 603856381 RKPBNUAUELJVSU-UHFFFAOYSA-N 426.494 4.327 5 20 IIBD COc1ccc(CNC(=O)NCc2ccc(OC(C)C)cc2C(F)(F)F)cc1[N+](=O)[O-] 608842313 PHRDZARBJKJELZ-UHFFFAOYSA-N 441.406 4.409 5 20 IIBD Cc1c(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(C(C)(C)C)cc2)cccc1[N+](=O)[O-] 609054618 BZVXAYHVAFXVNY-IBGZPJMESA-N 427.526 4.355 5 20 IIBD CCOc1ccc(C2(CNC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)CCOCC2)cc1 609784844 IBDUBVNDPHTHFZ-UHFFFAOYSA-N 432.904 4.054 5 20 IIBD COCc1ccccc1CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 609854944 VYMWDSUGRSEIHI-UHFFFAOYSA-N 435.267 4.164 5 20 IIBD COC(=O)Cc1sc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)nc1-c1ccccc1 609856378 KYGLVIGCFXXDQT-UHFFFAOYSA-N 431.857 4.340 5 20 IIBD O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 609875055 MHJISUFYZSHXMJ-CYBMUJFWSA-N 430.823 4.457 5 20 IIBD CO[C@H](c1ccc(Cl)cc1)[C@H](C)Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] 609894576 ICNYGBDCQVVJEQ-RBZFPXEDSA-N 428.876 4.401 5 20 IIBD COc1cc(CS(=O)(=O)[C@H](C)c2ccc(F)c(F)c2)c([N+](=O)[O-])cc1OC(F)F 609925409 RPXUZAGVYSIBNB-SECBINFHSA-N 437.367 4.159 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc(Cc2ccccc2)s1 611199308 DSNQQERINPGQNL-UHFFFAOYSA-N 430.511 4.028 5 20 IIBD CCn1c(SCC(=O)NCc2ccc(COC)cc2)nc2cc3ccccc3cc2c1=O 613973180 NYZYJCMKYGQTBI-UHFFFAOYSA-N 447.560 4.125 5 20 IIBD COC(=O)c1cc(NC(=O)Cc2sc(C)nc2-c2cccs2)c(C)c([N+](=O)[O-])c1 617150123 WEHSNKNQOJBMDC-UHFFFAOYSA-N 431.495 4.364 5 20 IIBD CCn1c(Sc2c([N+](=O)[O-])ncn2C)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 619718746 ZMSXBKJJSRCQJX-UHFFFAOYSA-N 445.501 4.385 5 20 IIBD CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(I)c1C)c1ccccn1 619746175 WTTJSFGGUWIXNW-MRXNPFEDSA-N 439.253 4.174 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)CCc1ccc(Cl)c(Cl)c1 725979310 WUTFSAYCOWIXRA-LLVKDONJSA-N 441.267 4.413 5 20 IIBD Cc1c(C(=O)OCc2nnc(-c3cccc(Cl)c3)o2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 730302547 BIEAQAGCIHWPNN-UHFFFAOYSA-N 432.776 4.180 5 20 IIBD CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc34)cc2C1 732154142 UTUSDASYWDQHRN-UHFFFAOYSA-N 437.456 4.017 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(Oc2ccc(Cl)nn2)cc1 733638494 ZIPWHPVVORWHPT-UHFFFAOYSA-N 428.836 4.064 5 20 IIBD CCc1ccc(OC(=O)CSc2nncn2-c2ccc(C)c(Cl)c2)c([N+](=O)[O-])c1 734736679 FZGNYPQVOWNZQZ-UHFFFAOYSA-N 432.889 4.397 5 20 IIBD Cc1cc(Cl)ccc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Br 740423325 RPXBAUGUIZIJSV-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD C[C@H](OC(=O)c1cccc(C(F)(F)F)c1N)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 741003373 ZYXUOHJQMYTLHD-QMMMGPOBSA-N 431.754 4.033 5 20 IIBD C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 741999272 OEAPXKLYIHZCDH-QNYYUSOESA-N 444.329 4.276 5 20 IIBD Cc1c(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cnn1-c1ccc(Cl)cc1 742024986 FXSKNOGKJKBJJV-UHFFFAOYSA-N 427.269 4.197 5 20 IIBD O=C(Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-])[C@H]1CCCN(C(=O)c2ccncc2)C1 744071634 MQQZMTLYNPIOSZ-FQEVSTJZSA-N 431.448 4.115 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)OCc2cc(Cl)ccc2Cl)cc1OC 744617145 UUITWQASIFJFQM-UHFFFAOYSA-N 430.240 4.292 5 20 IIBD CCC(CC)(CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC(=O)OC(C)(C)C 744679519 PULQZPNBLPSNGN-UHFFFAOYSA-N 433.427 4.427 5 20 IIBD COc1ccccc1CC(C)(C)C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 745015399 VNBPHXFECXBHJU-CYBMUJFWSA-N 434.876 4.396 5 20 IIBD O=C(COC(=O)Cc1cccc([N+](=O)[O-])c1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 745332470 KEOUVZMAGQXQFR-QHCPKHFHSA-N 438.867 4.240 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 746840208 IDEZAXHBICBZEN-GFCCVEGCSA-N 445.438 4.379 5 20 IIBD C[C@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 747961016 CQBNMJRASZSNSB-ZFHCCXERSA-N 443.525 4.205 5 20 IIBD CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 749555053 PLLBSDKAXMIORO-UHFFFAOYSA-N 429.410 4.120 5 20 IIBD CC[C@@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)C[C@H](O)c1cccc([N+](=O)[O-])c1 750034355 ALTWZUICTHDAJF-KUHUBIRLSA-N 439.434 4.386 5 20 IIBD CN(C)C(=O)c1cc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)ccc1F 750892776 HWXHPPBEXIKCIW-UHFFFAOYSA-N 444.644 4.104 5 20 IIBD COc1cc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2Br)ccc1SC 751113148 VKTYPSOZYJUTJQ-UHFFFAOYSA-N 425.304 4.360 5 20 IIBD COc1ccc(C(=O)COC(=O)c2cc([N+](=O)[O-])c(Br)cc2F)cc1Cl 751690936 QGOKHFIIRQSESF-UHFFFAOYSA-N 446.612 4.198 5 20 IIBD COCCN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(Br)n1 753473990 MNKFRMMAXQECRW-UHFFFAOYSA-N 448.195 4.064 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 755684981 XOTJBTLTHSPGFR-UHFFFAOYSA-N 431.514 4.393 5 20 IIBD COCCN(Cc1cc(Br)cs1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 756771890 IAVFSXHELQEJCZ-UHFFFAOYSA-N 433.711 4.361 5 20 IIBD C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@H](O)c1c(Cl)cccc1Cl 757256499 PSNUPQQEDMPCDI-ABKXIKBNSA-N 432.691 4.476 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)cc2F)C[C@@H](C)O1 758465292 QLOXFBWBSSMBLT-OKILXGFUSA-N 426.448 4.010 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1cc([N+](=O)[O-])cnc1N 759523452 MTGKIMXTLDWWCV-UHFFFAOYSA-N 441.366 4.190 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 760542263 LBEHTSQQTZUGLN-HNNXBMFYSA-N 445.472 4.330 5 20 IIBD C[C@@H]1C[C@@H](C(=O)O[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)CCC1=O 761462775 HLRZRGPDLSKMQU-IAMHBRQHSA-N 444.871 4.477 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(Cc2cccc3cccnc23)CC1 763522284 AFIHPSJCZVXFRT-UHFFFAOYSA-N 436.537 4.213 5 20 IIBD C[C@H]1CN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC[C@H]1NC(=O)OC(C)(C)C 765036898 WQOKOEQYJKANJT-FUHWJXTLSA-N 442.516 4.308 5 20 IIBD C[C@@H](OC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2)C(N)=O 765363453 NADLZEZJVHRXEB-LBFFYKKLSA-N 431.448 4.051 5 20 IIBD Cc1cc(F)cc(C(=O)N2CCC(O)(c3ccccc3C(F)(F)F)CC2)c1[N+](=O)[O-] 765615583 CDZQBPWROQGQSX-UHFFFAOYSA-N 426.366 4.185 5 20 IIBD Cc1c(C(=O)O[C@@H](Cc2ccccc2)c2cccnc2)nnn1-c1cccc([N+](=O)[O-])c1 766504583 LLOQCNYDCFXGOC-NRFANRHFSA-N 429.436 4.020 5 20 IIBD C[C@@H](OC(=O)c1ccc(OC(F)(F)F)c(N)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 770515856 GCAIWQBHBTZXLH-SECBINFHSA-N 438.318 4.044 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)OC(C)C 771530776 LGXSDZXLKNBVHZ-JOCHJYFZSA-N 427.501 4.100 5 20 IIBD CC(C)c1ccc(-c2noc(-c3cc([N+](=O)[O-])ccc3I)n2)cn1 771586181 FOXBAJOSYYZYMD-UHFFFAOYSA-N 436.209 4.435 5 20 IIBD CC(=O)c1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)CC2)c(F)c1 775522259 UPKLEUZIFCVAQV-UHFFFAOYSA-N 445.516 4.399 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)ccc1Cl 777661529 PDHTZCOBYITISH-NSHDSACASA-N 447.296 4.118 5 20 IIBD COc1cc(OC)c(N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Br 777895900 XOMBGGOCBUOXRS-NSHDSACASA-N 438.278 4.122 5 20 IIBD C[C@H](c1cc2ccccc2o1)N(C)C(=O)COC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 778170776 XACNRRKHHSMITB-CYBMUJFWSA-N 432.379 4.196 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3cc(C)n([C@@H](C)CC)n3)CC2)ccc1[N+](=O)[O-] 778309425 YKVZGUYDIMDEHA-HNNXBMFYSA-N 430.505 4.295 5 20 IIBD O=C(O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)c1ccccc1C(=O)c1cccs1 778809812 KAQAHCPRAKSKEV-HNNXBMFYSA-N 440.452 4.462 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N[C@H](CC(F)(F)F)c1ccc(F)cc1 781798219 OHZONQOVMJMWJC-OAHLLOKOSA-N 429.326 4.385 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(-c3ccc(-n4cc(Cl)cn4)c(F)c3)no2)cc([N+](=O)[O-])c1 784230828 LOCGXTAAWHSADJ-UHFFFAOYSA-N 430.739 4.198 5 20 IIBD C[C@H](N[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1)c1ccc(N)c([N+](=O)[O-])c1 788615177 VOHBHLUXRJAJEO-FPTDNZKUSA-N 443.500 4.160 5 20 IIBD Cc1cnc(COC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)c(C)c1[N+](=O)[O-] 789440226 JJBGSDLHECZXGG-UHFFFAOYSA-N 432.786 4.219 5 20 IIBD C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 792181335 NSKVCYQWCOZQPR-CHWSQXEVSA-N 429.864 4.366 5 20 IIBD CC(C)(Oc1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 792484934 NJSHDQIWWDFVKO-UHFFFAOYSA-N 427.240 4.241 5 20 IIBD O=C(c1nc(Br)ccc1Br)N1CCCc2c1cccc2[N+](=O)[O-] 792543593 MXDYMUJCXXTOAS-UHFFFAOYSA-N 441.079 4.108 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CC=C(c2cccc(Cl)c2)CC1 794021359 CONWMPPCEIMQIJ-UHFFFAOYSA-N 427.888 4.014 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCC(c2cccc(Cl)c2)CC1 794277278 HNXCRTWGKVFNNW-UHFFFAOYSA-N 429.904 4.105 5 20 IIBD CO[C@](C)(CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 794398006 IAZQDAIHKJZFAG-OAQYLSRUSA-N 431.876 4.045 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)CCCC1CCOCC1)c1cccc([N+](=O)[O-])c1 798900294 SZSGFFLAMFFAIA-FQEVSTJZSA-N 432.517 4.120 5 20 IIBD CC(C)[C@@H](OC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C(=O)N1CCCC1 877840025 JIYNIDFIRYPZCJ-OAQYLSRUSA-N 425.485 4.011 5 20 IIBD Cc1ccc(-c2noc([C@H]3CCCCN3S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1F 904332354 DUJNXIBPISOXKJ-GOSISDBHSA-N 446.460 4.008 5 20 IIBD COc1ccc(CSCC(=O)O[C@H](C)C(=O)Nc2cc(C)cc(C)c2)cc1[N+](=O)[O-] 914799645 FDKQLYLHRYPFOM-OAHLLOKOSA-N 432.498 4.024 5 20 IIBD CC(C)[C@H](OC(=O)CCOc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc2ncccc12 915448255 MJVZKUJARXDBEG-QFIPXVFZSA-N 437.452 4.118 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)C(C)(C)c1ccc(Br)cc1 915585556 HCGYZQIIIKDZFN-UHFFFAOYSA-N 435.274 4.125 5 20 IIBD CCOc1ccc([C@@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c2ccccc2)cc1 918193668 IGPKGJHOZUFMJY-FQEVSTJZSA-N 430.457 4.201 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 918675170 AEQKPDXRAWZJTB-FWRXFDSUSA-N 430.302 4.013 5 20 IIBD O=C(c1cccc(Cl)c1)N1CCCN(Cn2c(=S)oc3ccc([N+](=O)[O-])cc32)CC1 919951149 CUKOISCOVXOONI-UHFFFAOYSA-N 446.916 4.331 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC(=O)N(C)[C@@H]1CCCc2ccccc21 920778835 WWXVLHISCALZFP-RDTXWAMCSA-N 446.887 4.095 5 20 IIBD O=C(Nc1ccc2nc(CN3CCCCC3)[nH]c2c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 1318417807 LJUIGMRTNIUPLB-UHFFFAOYSA-N 448.527 4.310 5 20 IIBD Cc1cc(-c2nnc(-c3ccccc3NS(=O)(=O)c3cccs3)o2)cc([N+](=O)[O-])c1 1322747567 RDBJUEKKDLBUBH-UHFFFAOYSA-N 442.478 4.483 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCC(Nc2ccccc2Cl)CC1 1323949570 VEBNXSQTFSMONZ-UHFFFAOYSA-N 434.836 4.024 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(F)ccc1NC(=O)OC(C)(C)C 1327865197 JUFXWBYHHDQINC-UHFFFAOYSA-N 425.438 4.190 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2Cc2nnc(Cc3ccncc3)o2)cc1 1327920449 XHKOIHIKBTTXSW-UHFFFAOYSA-N 438.447 4.407 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3nccc4occc34)cc2)CCC1)c1ccc([N+](=O)[O-])[nH]1 1788342275 YHPJUPGKBWMOGC-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])NC1(c2ccc(NC(=O)C3(F)CC3)cc2)CCC1 1791155121 WDNLVDUSLJXGTM-UHFFFAOYSA-N 443.500 4.323 5 20 IIBD Cc1cc(Cl)ccc1C(=O)N1CCCC2(CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)C1 1805082379 IUYTXEUFBRAFKK-UHFFFAOYSA-N 445.903 4.308 5 20 IIBD CCCC(=O)N1CC[C@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)[C@H]1c1cccnc1 1811794178 IXDRUCXUXQJCQA-IIBYNOLFSA-N 444.919 4.071 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)[nH]n1)C1=CCCC1 1816697872 NHNVCMYRVVUGEJ-HXUWFJFHSA-N 437.500 4.053 5 20 IIBD CC(C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)sc2C1 1824425442 SSKSIVHCWNBKJA-LBPRGKRZSA-N 444.538 4.148 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC([C@@H]2CCCCN2C(=O)CC2CCC2)CC1 1832835729 FMUPUNQKYUYQMV-NRFANRHFSA-N 431.508 4.157 5 20 IIBD O=C([C@@H]1CCC[C@@H]2CCCC[C@@H]21)N1CC2(CCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)C1 1841443977 NAUHAUHJLSAIIX-ZVNFWLFNSA-N 441.528 4.011 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccc([N+](=O)[O-])cc3F)C2)s1 1845314598 JFFMAEWSAAYAOM-UHFFFAOYSA-N 445.516 4.224 5 20 IIBD Cc1c(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C=C/c2ccsc2)cc(Cl)cc1[N+](=O)[O-] 1848254161 WGSVITBPZCHGEG-QLVMYSCWSA-N 445.928 4.147 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1 9248555 ZNHCVAPHRVVEPA-UHFFFAOYSA-N 442.859 4.155 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCC(CCc2ccccc2)CC1 11453500 IBSQPPILCQDWRX-UHFFFAOYSA-N 437.496 4.154 5 20 IIBD CSc1ccccc1NC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 15305584 MKMLTEJMJPBAQD-UHFFFAOYSA-N 444.490 4.337 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(F)(F)F)cc1 15579021 HCNYFGVHBDEWIQ-MRXNPFEDSA-N 441.431 4.104 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2C(C)C)c([N+](=O)[O-])c1 16798057 LTJPMGRTYRAQOE-CYBMUJFWSA-N 442.497 4.014 5 20 IIBD COc1ccc([C@@H](NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C(C)C)cc1 18087821 KRZSOKDSEAAVNF-IBGZPJMESA-N 441.513 4.010 5 20 IIBD CCCc1ccc([C@@H](NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)C)cc1 18091109 UURZQAQJGFBWAX-NRFANRHFSA-N 429.542 4.252 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCc1nnc(-c2ccccc2)o1 18968703 ARCKRTGHJCZSTJ-UHFFFAOYSA-N 436.346 4.209 5 20 IIBD C[C@H](Sc1nc(-c2ccc(Br)cc2)n[nH]1)C(=O)Nc1cccc([N+](=O)[O-])c1 21157800 KKQZCOSNYKQGHY-JTQLQIEISA-N 448.302 4.262 5 20 IIBD Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)n2)cc1 21730898 PBQDSWLDEQFANA-UHFFFAOYSA-N 437.403 4.438 5 20 IIBD Cc1ccc(Oc2ccccc2NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)cc1 24941946 PIFMIJVFEZRNSL-UHFFFAOYSA-N 433.420 4.060 5 20 IIBD CC(=O)N1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CC1 57860073 RQTFFWHNUHONST-UHFFFAOYSA-N 433.917 4.094 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 62032749 KVHUGLGZSZVBMR-UHFFFAOYSA-N 425.828 4.295 5 20 IIBD CCC[C@H](NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)c(Cl)c1 63981320 OKLFDSCMJBZGEL-HNNXBMFYSA-N 438.267 4.467 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 111177591 JUABUFPVVIMTBC-UHFFFAOYSA-N 426.448 4.055 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1 115866321 MPJBUNKPNQKVMQ-UHFFFAOYSA-N 429.436 4.455 5 20 IIBD O=C(NC1CCN(Cc2ccncc2)CC1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 117625916 KSIUXRXIZYSIHM-UHFFFAOYSA-N 432.480 4.177 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NC[C@@H]1CCCO[C@H]1c1ccccc1 301267777 UQEUBYICFCDVST-KSSFIOAISA-N 426.441 4.171 5 20 IIBD O=[N+]([O-])c1ccc(N2CC[C@@H](Nc3ccccc3)C2)nc1N1CC[C@H](Nc2ccccc2)C1 302774723 OHGXWMNKTWIKMS-YADHBBJMSA-N 444.539 4.371 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F 409874314 IIKAXDDEBRXKIX-UHFFFAOYSA-N 439.781 4.120 5 20 IIBD CCOc1ccc(C(=O)N(C)[C@H](c2ccc(Cl)cc2)c2cnccn2)cc1[N+](=O)[O-] 427446876 RFECBMMCLAXREH-HXUWFJFHSA-N 426.860 4.299 5 20 IIBD COc1ccc(CSCC(=O)Nc2cc(CN3CCCC3)ccc2C)cc1[N+](=O)[O-] 428400962 MESZVBBSQMMVTP-UHFFFAOYSA-N 429.542 4.380 5 20 IIBD CC(C)(NC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1)c1ccc([N+](=O)[O-])cc1 430547130 FHMKNQSNFPHFQX-JOCHJYFZSA-N 445.475 4.202 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccccc1OC[C@H]1CCCCO1 431579736 SCYINTOQEUZNMW-MRXNPFEDSA-N 437.452 4.108 5 20 IIBD CC1(C)C[C@@H](Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)c2cc([N+](=O)[O-])ccc21 433217072 BEMNXWXTMZZQEC-GOSISDBHSA-N 426.498 4.019 5 20 IIBD COCCOc1cccc(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)c1 435064877 HNJUIGYYGPABON-UHFFFAOYSA-N 427.482 4.233 5 20 IIBD CCn1c(SCc2nc(-c3ccccc3F)no2)nnc1-c1ccc([N+](=O)[O-])cc1 435929914 LVNRDTONQTUYSJ-UHFFFAOYSA-N 426.433 4.355 5 20 IIBD Cc1ccc(NC(=O)c2cc(Br)c(O)c(Br)c2)cc1[N+](=O)[O-] 436640855 ZCUPHOPEYFFRLA-UHFFFAOYSA-N 430.052 4.386 5 20 IIBD COc1ccccc1-c1noc([C@@H](C)NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 437129417 GFFKAHIGXGLFOJ-OLZOCXBDSA-N 428.470 4.011 5 20 IIBD COCCc1noc(-c2cc(Cl)ccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 439669984 DIMLHXOXUMPSIA-UHFFFAOYSA-N 437.239 4.393 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H](c1ccccc1Cl)C(C)C 440073094 DRIBHKDKJIHTQE-IBGZPJMESA-N 433.892 4.441 5 20 IIBD O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 440629081 METXMBVLKZHESJ-UHFFFAOYSA-N 437.843 4.808 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2Br)c1 442222340 VFNSJXKWMQQUSW-UHFFFAOYSA-N 441.181 4.057 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 443951293 SZOFCFIGNYACIO-IAGOWNOFSA-N 426.517 4.143 5 20 IIBD CC(C)COc1ccc(C(C)(C)NC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 445102033 MRUBLFGEXBWJNY-UHFFFAOYSA-N 425.489 4.240 5 20 IIBD C[C@H](CCc1ccccc1[N+](=O)[O-])NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 447090615 LYWDOYWTZWAQQI-CYBMUJFWSA-N 430.448 4.128 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(N)=O)c(OC(C)C)c1 447672745 VCZHHHBGLTYSRD-UHFFFAOYSA-N 431.514 4.481 5 20 IIBD Cc1c(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)nnn1CC1CCCC1 448341199 HFYGILDWMKGBRX-UHFFFAOYSA-N 426.502 4.085 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C 463954420 YOWMFLUBCHQDJB-UHFFFAOYSA-N 435.278 4.043 5 20 IIBD CCSc1cccc(Br)c1NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 464712491 RCOZVLKSHNJUST-UHFFFAOYSA-N 441.303 4.495 5 20 IIBD O=C(N[C@@H]1c2ccccc2CC12CCOCC2)c1sc(Br)cc1[N+](=O)[O-] 464715506 YJPJUDFXJAAHIF-MRXNPFEDSA-N 437.315 4.243 5 20 IIBD COc1ccc(CSCC(=O)NC[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)cc1[N+](=O)[O-] 464716819 ZHTUVCMZYJICMV-WMZHIEFXSA-N 444.553 4.429 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 465273427 GBVSISKCPKOBKS-LLVKDONJSA-N 444.904 4.221 5 20 IIBD COc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c(I)c1 468145777 RZSRJNCCLCSTKY-UHFFFAOYSA-N 446.628 4.043 5 20 IIBD C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 473531983 LWDDYXOXVSGZAF-MUWSIPGASA-N 429.523 4.289 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(Nc2cnn(-c3ccc(Cl)cc3Cl)c2)s1 473913988 UOGWQBDTNAZFPP-UHFFFAOYSA-N 433.298 4.296 5 20 IIBD Cc1nc(NC(=O)c2ccccc2Sc2ccc(S(C)(=O)=O)cc2)ccc1[N+](=O)[O-] 475296307 UEXLVHWDYFINQP-UHFFFAOYSA-N 443.506 4.105 5 20 IIBD CC(C)(C)OC(=O)[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 478198883 OAMHJGFDVFEVCY-XMMPIXPASA-N 442.515 4.354 5 20 IIBD Cc1nn(C)cc1CNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 478212389 NNYCZYYFVGLWKH-UHFFFAOYSA-N 439.522 4.328 5 20 IIBD COc1cc(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)cc([N+](=O)[O-])c1C 480084299 KBTLQTWDECOZAS-UHFFFAOYSA-N 449.286 4.445 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 482246108 KBOOMQGCADWJAO-ZDUSSCGKSA-N 425.432 4.101 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1SC 482494416 RKXKWUQRVCQLFV-UHFFFAOYSA-N 435.933 4.250 5 20 IIBD C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C[C@@]2(CCCOC2)O1 482956510 FFCTZQXIADYFQJ-OPAMFIHVSA-N 428.510 4.156 5 20 IIBD CSc1cccc(C(=O)NCCc2cn3cc(Br)cc(C)c3n2)c1[N+](=O)[O-] 485508109 UTDBKJISEFILHI-UHFFFAOYSA-N 449.330 4.008 5 20 IIBD Cc1ccccc1[C@H]1CN(C(=O)c2sc(Br)cc2[N+](=O)[O-])[C@H](C)CO1 485878267 ACWZDJNQIKUPFL-BXUZGUMPSA-N 425.304 4.329 5 20 IIBD C[C@@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1nc(-c2cccc(F)c2)no1 485925657 OHGOYTVVZKQXHY-SSDOTTSWSA-N 441.238 4.099 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1cccc(C(=O)N2CCCC2)c1 487908777 JSGSKXOMNKZLKU-UHFFFAOYSA-N 436.390 4.171 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2c(F)cccc2F)nnc1-c1ccc([N+](=O)[O-])cc1 489429560 DQQPSYUPMVZHHT-LLVKDONJSA-N 433.440 4.271 5 20 IIBD O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)C1CCN(c2noc3ccc(Cl)cc23)CC1 490962887 WQPUGJNWKXIBIL-UHFFFAOYSA-N 440.847 4.121 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccccc2COCc2ccccc2)cc1[N+](=O)[O-] 493937391 PSMSTDSBHFDNIE-GOSISDBHSA-N 447.491 4.436 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCc2c(Br)cc(C)cc2C1 494427854 UDRZIRVAAKBDSS-UHFFFAOYSA-N 448.317 4.061 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 494672858 INIZMTDIXMEGOX-UHFFFAOYSA-N 446.463 4.446 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(OCc2ccc(F)cc2)c1 497832346 ORHWBETWYBSIRD-UHFFFAOYSA-N 437.427 4.072 5 20 IIBD CCc1cc(=NC(=O)C2CCN(c3nc4ccccc4o3)CC2)c2cc([N+](=O)[O-])ccc2[nH]1 499415706 MSFSPJLCVDOGFK-UHFFFAOYSA-N 445.479 4.124 5 20 IIBD O=C(CSc1nnc(N2CCCC2)n1-c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 501533294 QDZJDMOAQUHPLN-UHFFFAOYSA-N 443.916 4.404 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1 505197179 MBSHVGDAWBNTHE-AWEZNQCLSA-N 431.489 4.092 5 20 IIBD COc1ccc(-c2ccc(CN3CCC[C@H](c4nnc5ccccn45)C3)o2)c([N+](=O)[O-])c1 506151962 ULNRXOZWRCSGLB-INIZCTEOSA-N 433.468 4.286 5 20 IIBD Cc1ccc(C2=NN(C(=O)COc3c(Cl)cncc3[N+](=O)[O-])[C@H](c3ccco3)C2)cc1 506536960 FFROVQVMHWQKFX-KRWDZBQOSA-N 440.843 4.301 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1ccccc1Oc1cccc(F)c1 506708410 ZYNWLYLCMDRXGV-UHFFFAOYSA-N 437.427 4.166 5 20 IIBD CCCN(Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 506772336 PCNOXWIPTNVVMM-QGZVFWFLSA-N 438.933 4.440 5 20 IIBD CCOc1ccc(NC(=O)CNC(C)(C)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 507908086 YUJRVYFDTIXDIF-UHFFFAOYSA-N 425.407 4.476 5 20 IIBD O=C(Nc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1I 508883591 WESAREHBCNDQNX-UHFFFAOYSA-N 447.026 4.214 5 20 IIBD COc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1 509774206 FGCOVPGWONNRCR-UHFFFAOYSA-N 426.494 4.303 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCC1(c2ccc(Cl)cc2)CCOCC1 510112877 NNDKCABHIHBJIQ-UHFFFAOYSA-N 431.920 4.305 5 20 IIBD Cc1cc2c(cc1NC(=O)c1ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n1)OCO2 511742891 NCAHCGMHAZTZOK-UHFFFAOYSA-N 435.223 4.377 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CNc2ccc3c(c2)C(=O)N(C)CC3)cc1OC 513635268 LHISOOHFSLJEKU-OAHLLOKOSA-N 427.501 4.269 5 20 IIBD CC(C)OCCCN(C)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 515561203 CYEJXOVEUMNRPO-UHFFFAOYSA-N 431.455 4.104 5 20 IIBD CC(C)c1ccc(C(=O)NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)cc1[N+](=O)[O-] 517597019 FZFODQHVCDQKIA-UHFFFAOYSA-N 444.431 4.071 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])Nc1nnc(-c2cccc(Br)c2)s1 518922414 PGYDSEWHAQAWSN-UHFFFAOYSA-N 449.286 4.283 5 20 IIBD CSc1ccc(C(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)cc1[N+](=O)[O-] 518943838 FGQQZBQGYNNFOB-UHFFFAOYSA-N 426.454 4.408 5 20 IIBD O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCC(OC[C@H]2CCOC2)CC1 519720199 DEDLHWUYUGGZGK-KRWDZBQOSA-N 442.537 4.404 5 20 IIBD Cc1cc(CNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)ccc1Oc1ccc(F)cc1 519887954 HMFCHLDPQOHKLV-UHFFFAOYSA-N 431.445 4.094 5 20 IIBD COc1ccc(-c2nsc(NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)n2)cc1 520385129 PEHSUPPVQYBLRH-UHFFFAOYSA-N 425.470 4.318 5 20 IIBD O=C(Nc1ccccc1)Nc1cccc2c1CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)C2 521014666 RRBZBNGGGKGATA-UHFFFAOYSA-N 446.463 4.203 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N(Cc2ccc(F)cc2)CC2CC2)ccc1[N+](=O)[O-] 522338201 WIVWOQYVHWOKAD-JOCHJYFZSA-N 439.487 4.086 5 20 IIBD O=C(c1ccc(F)cc1)c1ccc(OCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cc1 522683967 HTSNOILDNPXTGE-UHFFFAOYSA-N 436.395 4.342 5 20 IIBD C[C@@H](c1nc(-c2cccs2)no1)N1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 523860583 VTYQZOHGRAQHFA-ZDUSSCGKSA-N 433.921 4.239 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNc3ccc(N4CCCS4(=O)=O)cc3)s2)cc1 524460217 CMZDBNYRGIKNMZ-UHFFFAOYSA-N 429.523 4.475 5 20 IIBD O=C(N[C@@H]1CCN(c2ncccc2F)C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 531273398 SKUIOIVABFHLQH-OAHLLOKOSA-N 438.484 4.289 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC(c2c[nH]c3cc(F)ccc23)CC1 533286915 BPZILEYLWLSGML-UHFFFAOYSA-N 438.459 4.393 5 20 IIBD Cc1ccccc1[C@H](OC[C@@H](O)Cn1cc(Br)c([N+](=O)[O-])n1)c1ccccc1 533675811 XVHAZDKEQUQQKE-QFBILLFUSA-N 446.301 4.029 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCCc2ccncc2C)cc1[N+](=O)[O-] 533682128 LWIXKQNEMDWHKU-UHFFFAOYSA-N 435.505 4.224 5 20 IIBD COc1ccccc1[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccn1 536351452 UQKILTAJRDSYQF-QHCPKHFHSA-N 432.480 4.118 5 20 IIBD CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 537200181 GDYGTJQAWAARFO-YCRPNKLZSA-N 431.464 4.063 5 20 IIBD COc1cc(OC)c(CCNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c(OC)c1 538191784 ROBROEFYDSPEIM-UHFFFAOYSA-N 434.514 4.094 5 20 IIBD CCC[C@H](NCc1ccc(S(=O)(=O)N(CC)CC)s1)c1cccc([N+](=O)[O-])c1 539043028 LQIBDSHYIWXVLV-SFHVURJKSA-N 425.576 4.318 5 20 IIBD CCOc1cc(CNC2CCC(F)(F)CC2)ccc1OCCn1c([N+](=O)[O-])cnc1C 540620373 QPSYLAHKSFVEAQ-UHFFFAOYSA-N 438.475 4.245 5 20 IIBD O=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 541230044 UYVXXDGAMDWHJQ-UHFFFAOYSA-N 442.357 4.237 5 20 IIBD CCn1cc(S(=O)(=O)N(C)[C@@H](c2ccc(Cl)cc2)C2CCCC2)c([N+](=O)[O-])n1 542693052 GXRWEHQWNHOOSO-QGZVFWFLSA-N 426.926 4.017 5 20 IIBD COc1ccc(CNc2cccnc2-n2cccn2)cc1OCc1ccc([N+](=O)[O-])cc1 543683116 VHKRQKVQBCSZMO-UHFFFAOYSA-N 431.452 4.375 5 20 IIBD CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCO[C@H](c2ccc(F)cc2)C1 544490466 KZYMSRKWOLBBDK-YJBOKZPZSA-N 437.265 4.489 5 20 IIBD Cc1ccc(-c2noc(-c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)cc1[N+](=O)[O-] 545571475 DBLNUSCHZLXGML-UHFFFAOYSA-N 430.376 4.009 5 20 IIBD CC(=O)N(c1ccccc1)c1nc(/C=C/c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)cs1 545785538 YYFBQVQAYQHQHK-CSKARUKUSA-N 448.464 4.275 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](c1ccccc1)N1CCC[C@@H]1CF 550410522 WFFQFLAKNRAJAA-CRAIPNDOSA-N 436.281 4.471 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@H](c1c[nH]c2ccccc12)C(F)(F)F 553159475 WXBLACADENTWES-HXUWFJFHSA-N 444.369 4.423 5 20 IIBD CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C[C@H](C(F)(F)F)O1 553372160 HPRSBJZIPKBARC-GOSISDBHSA-N 437.418 4.389 5 20 IIBD COc1cccc(OC(F)(F)F)c1CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F 553577689 JAOWEHBAAUXULJ-UHFFFAOYSA-N 438.280 4.451 5 20 IIBD O=C(Nc1ccc(F)c(N2CCCNC2=O)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 554040585 PQTYPORCEOKNRQ-UHFFFAOYSA-N 441.444 4.029 5 20 IIBD CCN1CCN(c2ccc(Cl)cc2NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC1 554109082 LWMMGAZOINRTDY-UHFFFAOYSA-N 445.951 4.097 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1NC(=O)NC(C)C 555815547 RGRGPGDUSIMJJN-UHFFFAOYSA-N 435.278 4.448 5 20 IIBD Cc1cc2cc(NC(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc2n(C)c1=O 557866017 CJZRPQNYNRMYDB-UHFFFAOYSA-N 448.401 4.215 5 20 IIBD C[C@H]1CN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c2ccccc2N(C)C1=O 558916936 OAZGXGARHIAEIP-KRWDZBQOSA-N 445.475 4.433 5 20 IIBD C[C@@H](NC(=O)NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)c1cccc([N+](=O)[O-])c1 562913040 TWOZLCWJQKBZOC-GFCCVEGCSA-N 449.389 4.310 5 20 IIBD CC(C)(C)[C@H](NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(F)cc1F 566761536 GOPCXTTXCGSCAN-HXUWFJFHSA-N 445.466 4.268 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H]1c1ccc(I)cc1 571410684 KQJIHOITBDTSEH-CQSZACIVSA-N 426.258 4.066 5 20 IIBD COc1cc(C(=O)N[C@H](C)c2ccc(OC)c(OC)c2C)c([N+](=O)[O-])cc1OC(F)F 580416480 WBUJKOBDYRRQFY-LLVKDONJSA-N 440.399 4.021 5 20 IIBD CN(C(=O)c1cccc(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c1)c1ccccc1 589323822 UQAPLMAAFOZJDV-UHFFFAOYSA-N 446.463 4.298 5 20 IIBD COc1ccc(CN[C@@H]2CC[C@@](O)(C(F)(F)F)C2)cc1OCc1ccc([N+](=O)[O-])cc1 589938226 JWEQBQBVJAUFHA-UZLBHIALSA-N 440.418 4.118 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CC(Cc2cccc(C(F)(F)F)c2)C1 590423801 OVNUQGLGRKMJMM-UHFFFAOYSA-N 431.370 4.182 5 20 IIBD O=C(Nc1nc(-c2ccco2)n[nH]1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 603458026 NTXUDQVIWJEXBM-UHFFFAOYSA-N 438.831 4.491 5 20 IIBD COc1ccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)cc1[N+](=O)[O-] 604018312 UALZAHMJBUIDGE-SNVBAGLBSA-N 443.681 4.103 5 20 IIBD CC(C)[C@H](NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)c1nc(C2CC2)no1 609022202 HVAUHORVIKAOBG-SXGZJXTBSA-N 441.532 4.465 5 20 IIBD O=C(NC[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1)Nc1cccc(F)c1 609545048 OTXGEXMEFFBDJE-ZDUSSCGKSA-N 449.870 4.453 5 20 IIBD O=C(Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)c1cc(F)cc([N+](=O)[O-])c1 609697116 KRJCLLMGIAXZPH-UHFFFAOYSA-N 428.441 4.101 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 609841816 QPHDUXGZRYJKEW-ZDUSSCGKSA-N 434.909 4.243 5 20 IIBD O=C(c1cc(Cl)ccc1I)N1CCc2c1cccc2[N+](=O)[O-] 609973431 NLVDJHBRCPGUQX-UHFFFAOYSA-N 428.613 4.056 5 20 IIBD CC[C@H](C)[C@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 609992890 BAPAMYRGDPEYCR-HRAATJIYSA-N 445.541 4.436 5 20 IIBD C[C@H]1CN(C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc2NC1=O 610109309 SQAJCHFEPVEOQA-NSHDSACASA-N 439.415 4.327 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)CC3)cc1[N+](=O)[O-])c1ccccn1 610204069 RQVZLIFFXLODRJ-AWEZNQCLSA-N 431.452 4.300 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCN(C/C=C\c2ccccc2)CC1 651539897 NZYTWWUXPBZPFF-FLIBITNWSA-N 437.543 4.012 5 20 IIBD C[C@H](c1ccc(Cl)cc1)N(CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 726585913 BIQBQSJNHPLXIV-CQSZACIVSA-N 428.876 4.200 5 20 IIBD O=[N+]([O-])c1ccc2cnn(CN3CCC[C@H](c4nc(-c5ccc(Cl)cc5)no4)C3)c2c1 726591307 FSCFYNZGLNPIPS-INIZCTEOSA-N 438.875 4.485 5 20 IIBD Cc1ccc(Cl)cc1N1CC[C@H](CNc2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])C1 726594889 HPHQGDZCPFKNFV-CQSZACIVSA-N 434.880 4.204 5 20 IIBD Cc1nn(CCC(=O)OCC(=O)Nc2c(C(C)C)cccc2C(C)C)c(C)c1[N+](=O)[O-] 726646961 GWOYQKBSSLVWAL-UHFFFAOYSA-N 430.505 4.227 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c2ccccc2)cc1 727565835 MXYPZGCDASCOLG-OAQYLSRUSA-N 448.431 4.211 5 20 IIBD Cc1nc(CCC(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)oc1-c1ccccc1 730336363 SHZFIVGCYIXLPK-UHFFFAOYSA-N 434.408 4.284 5 20 IIBD Cc1nc([N+](=O)[O-])c(Br)n1CC(=O)c1ccc(OCc2ccccc2)cc1 730441356 RSMZYLLCEQJEAV-UHFFFAOYSA-N 430.258 4.324 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl 730634727 DNCIIFCOZFEBFF-NSHDSACASA-N 441.267 4.271 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2C[C@@H](N(C)C)Cc3ccccc32)cc1[N+](=O)[O-])c1ccccn1 731465664 KSTLHMXZSBPEKB-PXNSSMCTSA-N 445.523 4.296 5 20 IIBD Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccnn3-c3ccc([N+](=O)[O-])cc3)cc12 731578137 CWSCLWAKDKQIGP-UHFFFAOYSA-N 439.435 4.075 5 20 IIBD Cc1ccc(COc2cccc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 732014493 HCEPWVVFZNWDRR-UHFFFAOYSA-N 433.464 4.241 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCCC[C@H]2CN2CCCC2=O)cc1[N+](=O)[O-] 732027159 YFQIBLMTJRAJMB-SFHVURJKSA-N 433.574 4.350 5 20 IIBD Cc1ccc(OCc2cccc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])c2)cn1 734057248 JASCENAUSHWGDS-INIZCTEOSA-N 435.436 4.061 5 20 IIBD C[S@](=O)Cc1cc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)ccc1Cl 734402808 RKQYEBRVURGFAV-DEOSSOPVSA-N 431.695 4.142 5 20 IIBD CSc1ccccc1NC(=O)[C@H](C)OC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 735147174 BMBMEYPILXPROD-LBPRGKRZSA-N 438.889 4.309 5 20 IIBD Cc1c(C(=O)OCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)oc2ccc(Cl)cc12 735334205 GMAMHCUVJJLXDT-UHFFFAOYSA-N 430.800 4.458 5 20 IIBD CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1Br 736484316 HRCPTKVPVNSYNM-UHFFFAOYSA-N 444.326 4.171 5 20 IIBD COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccc(N)c([N+](=O)[O-])c1)CCO2 742087169 GHQFJPLOBABRFS-NRFANRHFSA-N 433.464 4.352 5 20 IIBD CN(C[C@@H]1CCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)OC(C)(C)C 742885879 PEMDSWPDXITZRR-SFHVURJKSA-N 449.551 4.013 5 20 IIBD Cn1cc(CC(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c2ccccc21 743828381 ZTDRTRRLDSJEIX-UHFFFAOYSA-N 429.432 4.487 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1OC(=O)[C@H]1CCOC1 744371944 LQGCGZUMIJFGGF-JTQLQIEISA-N 425.224 4.096 5 20 IIBD Cc1ccc(C2=NN(C(=O)COC(=O)c3cc(C)ccc3[N+](=O)[O-])[C@@H](c3ccco3)C2)cc1 745385769 HVMLFVJTHBGUSR-OAQYLSRUSA-N 447.447 4.339 5 20 IIBD NC(=O)NC1CCN(C(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)CC1 748553539 ZNDCUQUSNRLDFO-UHFFFAOYSA-N 427.504 4.206 5 20 IIBD CC(C)C[C@@H]1CCCN1C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 748764469 JDRHTDSBZGLHCQ-KRWDZBQOSA-N 432.498 4.013 5 20 IIBD CC(C)(C)OC(=O)NCCCOC1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 748836600 SKLIPJOKLQCRNQ-UHFFFAOYSA-N 427.929 4.144 5 20 IIBD O=C(OCCn1cnc([N+](=O)[O-])n1)[C@@H](Sc1ccc(F)c(Cl)c1)c1ccccc1 749081055 WTULQWBSZOKYFP-INIZCTEOSA-N 436.852 4.056 5 20 IIBD NC(=O)c1ccc(COC(=O)CCSc2ccnc3cc(Cl)ccc23)c([N+](=O)[O-])c1 751729247 SDUVNRNREJWNQN-UHFFFAOYSA-N 445.884 4.121 5 20 IIBD COc1ccc(C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1OC1CCCC1 751976615 TYBJPYOSQJFFRS-UHFFFAOYSA-N 439.424 4.332 5 20 IIBD C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 752341441 WRMFKQPAILRNKE-KGLIPLIRSA-N 446.529 4.094 5 20 IIBD COCCN(C(=O)c1ccc(-n2cccc2)nc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 753179205 RLCVONZVYCLZFF-UHFFFAOYSA-N 449.492 4.197 5 20 IIBD C[C@H](C(=O)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 753214143 YWYSWYOXEPOIDM-ZDUSSCGKSA-N 436.917 4.198 5 20 IIBD O=C(N[C@@H]1CCCC2(C1)OCCO2)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 753620490 BETMWTJOTOYNDK-MRXNPFEDSA-N 432.860 4.456 5 20 IIBD COc1ccc2c(C)c(CCC(=O)Nc3ccc4cc([N+](=O)[O-])ccc4n3)c(=O)oc2c1 753631280 VJEJFQALOPCCLC-UHFFFAOYSA-N 433.420 4.138 5 20 IIBD CCc1ccc(C(=O)Nc2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1[N+](=O)[O-] 754441302 RKEQTOSEACKAEC-UHFFFAOYSA-N 443.504 4.178 5 20 IIBD CC(C)COc1ccccc1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754994603 UHPGCCYPWOENNF-UHFFFAOYSA-N 425.254 4.461 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(-c2ccccn2)ccc1Cl 754997873 JRMQACVDQALOGI-UHFFFAOYSA-N 441.827 4.114 5 20 IIBD O=C(Nc1cc(Cl)ccc1O)C1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 755814859 DWZQUFKIQOLSHD-UHFFFAOYSA-N 438.267 4.098 5 20 IIBD CC(C)COc1ccc(NC(=O)C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc1Cl 757274199 DEEYGUXVUYPKHV-UHFFFAOYSA-N 440.283 4.191 5 20 IIBD CCN(CC)CCN(Cc1cccs1)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 760152159 CPXTYHHZEXCXOH-UHFFFAOYSA-N 434.518 4.166 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1(OCc2ccccc2)CCOCC1 760535647 CJOCTNMOTPLCSJ-UHFFFAOYSA-N 438.436 4.059 5 20 IIBD CC(C)(C)OC(=O)N1CCC(c2noc(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)CC1 761774066 QINLMFTXAGGNPE-UHFFFAOYSA-N 443.504 4.360 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C 763811865 UPSNYLNMZQZCFN-INIZCTEOSA-N 446.525 4.443 5 20 IIBD CS(=O)(=O)Nc1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cc1 764560497 BOQICLPEOYPAJF-UHFFFAOYSA-N 436.511 4.220 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 766243420 JHTZQFDWUXKWPR-ULQDDVLXSA-N 432.521 4.369 5 20 IIBD COc1cc(C(=O)N[C@H](CC(=O)O)C2CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 767074061 BMZVKPLZOTVGEO-CQSZACIVSA-N 434.832 4.032 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 768627726 VHVZYEZXFGOLFR-CYBMUJFWSA-N 431.370 4.497 5 20 IIBD COc1cccc(-n2c(SC[C@H](O)c3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)c1 776270644 FNBNDFSRZFWUJX-NRFANRHFSA-N 449.488 4.128 5 20 IIBD O=S1(=O)CC[C@@]2(C[C@@H](NCc3c4ccccc4c(Cl)c4ccccc34)CCO2)C1 776499938 ZFKVNTLKKLOQBN-QMHKHESXSA-N 429.969 4.472 5 20 IIBD O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)C1(c2ccc(F)cc2F)CCC1 777313796 LYYFIFDOCGSLQD-UHFFFAOYSA-N 431.439 4.150 5 20 IIBD O=C1N[C@H](CC(F)F)C(=O)N1Cc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 777656785 LXPWSEUGIXMAAJ-CYBMUJFWSA-N 443.765 4.255 5 20 IIBD O=C(CCc1nnc(-c2cc3ccccc3o2)o1)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 778795193 RGWABDGOBDRILI-GOSISDBHSA-N 448.435 4.146 5 20 IIBD COc1ccccc1-c1nc(C(=O)O[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3F)C2)cs1 778812672 YGFHSQQLMWLOTD-CQSZACIVSA-N 443.456 4.302 5 20 IIBD Cc1cc(Cl)ccc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 778886816 CYQKJTOGRWALGA-JTQLQIEISA-N 428.775 4.342 5 20 IIBD O=C(OC1CCN(c2ccc(Cl)cn2)CC1)c1cc([N+](=O)[O-])ccc1OC(F)F 779212020 OHXKKNJYWCOTHA-UHFFFAOYSA-N 427.791 4.070 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3[C@@H](NC(=O)OC(C)(C)C)CCC[C@H]3C2)c1 784552716 DQLXOSTUUMGWSH-XKQJLSEDSA-N 435.546 4.082 5 20 IIBD Cc1ccc(NC(=O)C(=O)Nc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)cc1[N+](=O)[O-] 785015719 PKLSLUOUHDQDGJ-AWEZNQCLSA-N 442.472 4.066 5 20 IIBD Cc1ccc(F)c(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1Br 785131603 FVAKUKBBAOFBAD-NSHDSACASA-N 439.237 4.297 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3cccc(NC(C)=O)c3C)CC2)ccc1[N+](=O)[O-] 785888056 ZQGPZNJYVQJSIO-UHFFFAOYSA-N 441.484 4.086 5 20 IIBD CC(C)c1c(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cnn1-c1ccccc1Cl 790422332 USROQMQALWWYDT-UHFFFAOYSA-N 438.868 4.497 5 20 IIBD Cn1nc(C(F)(F)F)c(COC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c1Cl 790743250 VMXPLJJUEPHIDW-UHFFFAOYSA-N 430.141 4.079 5 20 IIBD C[C@H]1C(=O)CC[C@H]1CC(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 792871812 HMNKRUHEWDYDGV-OLZOCXBDSA-N 430.844 4.411 5 20 IIBD CCCN1CCN(c2ccc(NC(=O)c3cc(F)c([N+](=O)[O-])cc3F)c(OCC)c2)CC1 797757727 VPCNXAHPNWCQSZ-UHFFFAOYSA-N 448.470 4.056 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 801897446 GAHARSJNWJXPSO-HWPZZCPQSA-N 444.337 4.203 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)O[C@@H]2CCc3cccnc32)cc1[N+](=O)[O-] 802221741 ZRWLDYJSORDWBL-OAQYLSRUSA-N 431.448 4.131 5 20 IIBD Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)c3ccccc32)cc1[N+](=O)[O-] 809863049 HJTVOMKCAWLFPK-UHFFFAOYSA-N 447.513 4.162 5 20 IIBD CC(C)(C)[C@H](NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 810349444 RKQVHDFGKCRDBL-MRXNPFEDSA-N 434.290 4.199 5 20 IIBD O=C(NCCCC(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)NC1CCCCC1 811219069 KVDYJKWFIJRFPS-UHFFFAOYSA-N 446.529 4.174 5 20 IIBD C[C@@H](OC(=O)[C@H]1CCCCCC(=O)C1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 811382693 OVKHMWGKUOPYOX-HIFRSBDPSA-N 445.497 4.128 5 20 IIBD COc1ccccc1-c1nn(C)cc1C(=O)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F 815210321 CUFAEXFSCQEJSR-UHFFFAOYSA-N 435.358 4.380 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 821482409 ZBISTABYXJLJCC-CQSZACIVSA-N 442.859 4.235 5 20 IIBD O=C(Nc1nc(COc2ccccc2)cs1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 884002169 USVZYAFHAUGOND-UHFFFAOYSA-N 438.509 4.485 5 20 IIBD CC(C)(NC(=O)c1cccc(Cl)c1)c1noc(CCC(=O)c2cccc([N+](=O)[O-])c2)n1 904599955 WMBPHEVJWYTNHT-UHFFFAOYSA-N 442.859 4.112 5 20 IIBD C[C@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 916402730 GUXYOXLNMGUSDR-AWEZNQCLSA-N 444.509 4.486 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 916984176 COFREFKTTXDCAH-UHFFFAOYSA-N 447.373 4.397 5 20 IIBD COc1ccc([C@@H](NC(=O)COC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C(C)C)cc1 917262960 HIBKGEKVAUJVNX-NRFANRHFSA-N 426.425 4.020 5 20 IIBD Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)on2)cc1 919101377 AJLCCXQGJQGTKE-LBPRGKRZSA-N 429.816 4.396 5 20 IIBD Cc1ncc(COC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)s1 919668321 BTNVEVRGVHLFEF-UHFFFAOYSA-N 425.466 4.014 5 20 IIBD Cc1c(Br)cc(C(=O)OCc2csc(C(F)(F)F)n2)cc1[N+](=O)[O-] 1116828564 NXMIVOZVRYSUQC-UHFFFAOYSA-N 425.182 4.498 5 20 IIBD Cc1ccc(C(=O)NC2(c3ccc(NC(=O)Cc4cccc([N+](=O)[O-])c4)cc3)CCC2)cn1 1785791661 FTDISEOCALHDSL-UHFFFAOYSA-N 444.491 4.289 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)[C@@H]3[C@@H]4C=CS[C@@H]34)CCC2)cc1 1785795506 RTZSFWXZKQYPQJ-KSEOMHKRSA-N 449.532 4.147 5 20 IIBD COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)C4CCC4)CCC3)cc2)c([N+](=O)[O-])c1 1790570706 DJXIMYRKSZHOMX-UHFFFAOYSA-N 437.496 4.080 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@H]3CCCCO3)CCC2)cc1)c1cc(F)cc([N+](=O)[O-])c1 1790695081 AZNPGLIMQYYIEL-HXUWFJFHSA-N 441.459 4.051 5 20 IIBD Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(F)c2[N+](=O)[O-])c(Cl)c1 1800530574 NRHASGBLJLKKSO-QDMKHBRRSA-N 445.878 4.261 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(C(C)C)CCC1)C2 1800699563 VCSLAFORSCXBCU-BJWYYQGGSA-N 431.508 4.120 5 20 IIBD CC(C)/C=C/C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)[nH]n1 1823083066 QBTUNCKIWIPZKU-WAEYIKQSSA-N 439.516 4.155 5 20 IIBD O=C(c1ccc(Cl)o1)N1CC2(CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 1845738906 OCYDQDSFWPFAOD-UHFFFAOYSA-N 445.884 4.187 5 20 IIBD Cc1cc(NC(=O)COC(=O)c2cc(Cl)ccc2[N+](=O)[O-])ccc1Br 3485198 FCXYWXKMKVAPGV-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD CSc1ccc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-] 9622227 TVBYWHNWHSLSLW-UHFFFAOYSA-N 449.794 4.179 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C(=O)NC(c1ccccc1)c1ccccc1 10050934 DFQDGJYHBGNXJL-QGZVFWFLSA-N 447.491 4.112 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nnc(NCCc2ccccc2)s1 10773345 CSCRZOKUMYEXCC-UHFFFAOYSA-N 429.527 4.140 5 20 IIBD Cc1ccc(-c2nc(C)sc2CC(=O)O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 11217291 SXIKHUGIOQFGBU-CQSZACIVSA-N 439.493 4.448 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2sc(C)nc2-c2ccccc2)c([N+](=O)[O-])c1 18766352 NFDNSMYEOFCTLX-GFCCVEGCSA-N 441.465 4.219 5 20 IIBD CCn1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nnc1-c1ccccc1OC 22201178 ZGERAMMEQUCXJS-UHFFFAOYSA-N 428.470 4.041 5 20 IIBD O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 22926545 QHZXVRZNKAAIRJ-UHFFFAOYSA-N 438.465 4.300 5 20 IIBD O=C(COC(=O)Cc1csc(-c2ccccc2Cl)n1)Nc1cccc([N+](=O)[O-])c1 26674207 LIYRYRWNGSAJAK-UHFFFAOYSA-N 431.857 4.096 5 20 IIBD CCOc1ccc([C@H](NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c2ccccc2)cc1 30420720 GAKDPWODLQGYCN-JOCHJYFZSA-N 442.493 4.070 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1ccccc1COCc1ccccc1 32441960 DBXAXGXDBMCVMB-UHFFFAOYSA-N 426.494 4.099 5 20 IIBD CCOc1ccc(NC(=O)COc2ncnc3sc4c(c23)CC[C@@H](C)C4)c([N+](=O)[O-])c1 39562028 MIYWRHLKWRYGRZ-GFCCVEGCSA-N 442.497 4.141 5 20 IIBD Cn1cc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c(-c2ccc([N+](=O)[O-])cc2)n1 64692585 IFIKJLCXRZIFTC-UHFFFAOYSA-N 449.448 4.100 5 20 IIBD O=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1csc(-c2cccc([N+](=O)[O-])c2)n1 64898389 WCQFCDOHWXBYDX-UHFFFAOYSA-N 445.884 4.115 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCCc2c(F)cccc2F)cc1[N+](=O)[O-])c1ccccn1 65073496 FZWLJCWIVCJVQS-CQSZACIVSA-N 426.423 4.414 5 20 IIBD CCOc1cccc2cc([C@H](C)NC(=O)c3nnn(-c4cccc([N+](=O)[O-])c4)c3C)oc12 105568832 AMSXJZRXEMQNRI-ZDUSSCGKSA-N 435.440 4.120 5 20 IIBD O=C(CCc1nc(-c2ccsc2)no1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 106187595 JWYQIJQNCCGSJS-UHFFFAOYSA-N 440.403 4.230 5 20 IIBD CCOC(=O)c1cc(C(=O)N(C)CCCc2cc(-c3ccccc3)no2)cc([N+](=O)[O-])c1 110133655 VVLCIMHTOCJUCQ-UHFFFAOYSA-N 437.452 4.131 5 20 IIBD O=C(CCc1ccccc1)N1CCCN(c2ccc([N+](=O)[O-])cc2Br)CC1 301587938 SAZFYIXGEUQFTN-UHFFFAOYSA-N 432.318 4.029 5 20 IIBD O=C(c1cc(N2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)ccc1[N+](=O)[O-])N1CCCC1 301725387 UQRRRUYYGINOEO-URXFXBBRSA-N 448.567 4.322 5 20 IIBD CS(=O)(=O)c1cccc(N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)c1[N+](=O)[O-] 301874504 ICBGIJUWDPLRBK-OAHLLOKOSA-N 449.287 4.022 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] 303019531 QTBYQWFKTXCDGE-UHFFFAOYSA-N 442.491 4.458 5 20 IIBD CC1(C)CC[C@H](NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c2ccccc21 303417706 BUTKKPKQDVKDRO-DLBZAZTESA-N 427.526 4.190 5 20 IIBD C[C@H]1C[C@@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN1Cc1ccccc1 303792935 VGPBWAIAMLUXJA-WMZOPIPTSA-N 430.936 4.172 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1cccc2cc(Br)cnc12 328053413 HPTQRWNOKKXKPH-UHFFFAOYSA-N 442.678 4.360 5 20 IIBD CCCN([C@H](C)CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 409913917 ZADYEDOUXHJSBX-CQSZACIVSA-N 439.921 4.066 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC(CCCn2ccnc2)CC1 426284860 BLUOQKQFPAFDNY-UHFFFAOYSA-N 439.438 4.212 5 20 IIBD Cn1c(CCCNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])nc2ccccc21 426882913 LURANUKRTORTJY-UHFFFAOYSA-N 444.491 4.423 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H]1CCC[C@H]1OCc1ccccc1 427562526 IGUVHPCIHQJOGG-WIOPSUGQSA-N 426.516 4.409 5 20 IIBD C[C@@H]1Sc2ccccc2N(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)[C@H]1C 430624397 IEKIMJZVUHBBSP-STQMWFEESA-N 441.538 4.404 5 20 IIBD Cc1cc(OCC(=O)N2CCC(Oc3cccc(Br)c3)CC2)ccc1[N+](=O)[O-] 430798036 GWFZHIVQNCKTIP-UHFFFAOYSA-N 449.301 4.115 5 20 IIBD O=C(O)CSCc1cccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 431663845 WGNLCEAKAWVSKD-UHFFFAOYSA-N 432.501 4.111 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1cnc2c(F)cccc2c1)c1ccccc1[N+](=O)[O-] 431668417 YAPAGYTVIXXXAI-GOSISDBHSA-N 425.416 4.095 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 435228746 XVUBQAWDHUJTEO-LBPRGKRZSA-N 449.476 4.255 5 20 IIBD O=C(NCc1ccc(-n2cccn2)cc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436057492 GNUZJLQMSMJPLT-UHFFFAOYSA-N 430.414 4.075 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC(c3ccccc3Br)CC2)cc1 439126570 BXNYGQPHFZFBFO-UHFFFAOYSA-N 439.331 4.067 5 20 IIBD COCc1nc(CN[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1 442864631 GKYVVHVKBLIFJL-OAHLLOKOSA-N 440.525 4.372 5 20 IIBD CCN([C@H](c1ccc(Cl)cc1)c1cccnc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 443005770 YUTPZOTUUZMPAA-HXUWFJFHSA-N 431.901 4.443 5 20 IIBD COc1ccc(NC(=O)CN(Cc2csc(Br)c2)C2CC2)c([N+](=O)[O-])c1 443646967 CYNXYKVWWZBMGY-UHFFFAOYSA-N 440.319 4.031 5 20 IIBD C[C@@H]1c2cc(F)cc(F)c2CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 447036058 CNAVSFFBRWIGNV-SECBINFHSA-N 436.358 4.200 5 20 IIBD O=C(c1ncoc1-c1cccc(C(F)(F)F)c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 461400438 VGIZXHAQAOYJJA-UHFFFAOYSA-N 433.342 4.303 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CC[C@H](CN4CCCCC4)C3)cc2[N+](=O)[O-])n1 461416881 FYHNXUOAJOAIDG-MRXNPFEDSA-N 446.598 4.459 5 20 IIBD COc1ccc([C@@H]2CCCN2S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 462473190 NYYOADVBSWZAMN-HNNXBMFYSA-N 431.297 4.436 5 20 IIBD CCOc1ccc(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c2ncccc12 464328020 NULARSPMJYIURL-UHFFFAOYSA-N 433.367 4.404 5 20 IIBD CC[C@@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccc2c(c1)OCCO2 465707714 KLRBIILAHWDTCM-HXUWFJFHSA-N 441.484 4.070 5 20 IIBD O=C(NCCc1nnc(-c2ccccc2)o1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 467617653 XVCQJYMLCDQMHW-UHFFFAOYSA-N 443.463 4.229 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cc2nnc3n2CCCCC3)cc1 468578888 UKLZKTBHVMZCTA-UHFFFAOYSA-N 448.527 4.334 5 20 IIBD C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c2ccccc2S1 469098331 YAPDLZWXJFJLIQ-JTQLQIEISA-N 429.317 4.047 5 20 IIBD C[C@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1cncs1 470971688 YHCZLUDJASSQFV-NSHDSACASA-N 428.436 4.164 5 20 IIBD CO[C@@]1(C)CCCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 473334832 QPTVROZCYPPKGK-NRFANRHFSA-N 431.876 4.142 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCCc3ccncc3)c([N+](=O)[O-])c2)c(C)c1 475999888 SPZFIDMKOUWMEG-UHFFFAOYSA-N 426.498 4.062 5 20 IIBD O=C(N[C@H](CO)Cc1ccncc1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 476987070 QLNCKLUJYMONSW-INIZCTEOSA-N 443.912 4.128 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)C(=O)N1Cc2ccccc2C1 477554248 BBBRGULDGQSXQA-MRXNPFEDSA-N 447.516 4.407 5 20 IIBD O=C(N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1c[nH]c2cc([N+](=O)[O-])ccc12 478465921 CQBGRAQRGOTULC-INIZCTEOSA-N 427.766 4.212 5 20 IIBD C[C@H]1CCCCN1CCC1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 478607960 AYDXFYLRLXKBGE-FQEVSTJZSA-N 442.604 4.314 5 20 IIBD C[C@H](NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)c1ncon1 479620175 OEOWVYAQYBWVAY-OJNRTJSBSA-N 435.465 4.396 5 20 IIBD C[C@H](NCCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 480136914 JYGXPKFFLULUFH-HNNXBMFYSA-N 442.541 4.229 5 20 IIBD COc1cc(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)cc([N+](=O)[O-])c1C 480620151 YGYHXLFDNWHPRS-UHFFFAOYSA-N 442.859 4.420 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](N[C@H]1CCSC1)c1ccccc1 481609909 PDXHUJLDJFILRD-GUYCJALGSA-N 436.331 4.132 5 20 IIBD CCO[C@@H]1C[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]1Oc1ccccc1 482489850 WBSOFUADSDCQRC-PWRODBHTSA-N 425.510 4.433 5 20 IIBD CN(Cc1cc(Br)ccc1F)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 484797289 KXNMCIKPQFAILD-UHFFFAOYSA-N 433.180 4.370 5 20 IIBD COc1ccc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1Br 486152308 WHWTUTBYQJATKW-UHFFFAOYSA-N 431.246 4.019 5 20 IIBD CSc1cccc(C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] 486436810 NHMBDJHBDLVHRY-QGZVFWFLSA-N 437.525 4.213 5 20 IIBD Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)o1 487069070 SEHATFKPCJBALM-UHFFFAOYSA-N 446.467 4.023 5 20 IIBD CCOC(=O)CNC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 487840155 KRPAJHFJBQYSSB-UHFFFAOYSA-N 428.388 4.058 5 20 IIBD O=C(Nc1ccc(OCc2noc(C3CC3)n2)cc1)c1cc([N+](=O)[O-])ccc1OC(F)F 489343476 CFFJAJQIMPRNLM-UHFFFAOYSA-N 446.366 4.288 5 20 IIBD COc1ccccc1N1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)C1 489902859 XELRBARJLSZTCB-INIZCTEOSA-N 429.542 4.360 5 20 IIBD COc1cc(CN2CCC(c3noc(C(C)C)n3)CC2)c([N+](=O)[O-])cc1OCC(F)F 491095520 YUFLPEJYJWMTEA-UHFFFAOYSA-N 440.447 4.133 5 20 IIBD COc1ccc2[nH]nc(NC(=O)c3ccc(N[C@@H](C)c4ccccn4)c([N+](=O)[O-])c3)c2c1 495728015 LXIPWFJVPDDVFY-ZDUSSCGKSA-N 432.440 4.300 5 20 IIBD Cc1ccc(-c2csc(NC(=O)C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)n2)s1 498969062 SLLOOFREDUVUCB-LBPRGKRZSA-N 430.511 4.213 5 20 IIBD CCC(C)(C)[C@@H]1CCc2nc(NC(=O)C(=O)NCc3cccc([N+](=O)[O-])c3C)sc2C1 500471308 KMUVRDDQFNPZPZ-OAHLLOKOSA-N 444.557 4.156 5 20 IIBD CCNc1ccc(C(=O)N(C)[C@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 509368610 HORIXNYQHLMEGU-KRWDZBQOSA-N 440.283 4.320 5 20 IIBD O=C(NCCCc1cccc(C(F)(F)F)c1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 510374235 HEWUKCWFTIXJGG-UHFFFAOYSA-N 436.434 4.078 5 20 IIBD Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2I)c2ncccc2c1 511988288 HJMNWPMZTXUWLO-UHFFFAOYSA-N 433.205 4.308 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCN[C@H](c2cccc(Cl)c2)C1 514000862 BYRSGLMWRWEMMU-KRWDZBQOSA-N 428.901 4.158 5 20 IIBD O=C(CNc1cc([N+](=O)[O-])ccc1OC(F)F)N1N=C(c2ccco2)C[C@@H]1c1ccco1 515664922 SEVQXKOEUQOGSG-OAHLLOKOSA-N 446.366 4.172 5 20 IIBD COc1ccccc1Oc1ccc(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)cc1 518287753 HHMVSAKJHIBSIA-UHFFFAOYSA-N 431.408 4.229 5 20 IIBD COc1cc(OCC(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)ccc1[N+](=O)[O-] 519027367 KFMZCTJKAUZQKP-INIZCTEOSA-N 449.463 4.112 5 20 IIBD COc1cc(OCC(=O)Nc2c(C)cc(Br)cc2Cl)ccc1[N+](=O)[O-] 519048620 ROGZTBZUJKDGHP-UHFFFAOYSA-N 429.654 4.345 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 520017575 PCNJHKISFYJEDV-ZCYQVOJMSA-N 430.479 4.330 5 20 IIBD COc1ccc(Br)cc1-c1noc(-c2cc(OC)c(OC)c([N+](=O)[O-])c2)n1 521127772 BXMQYDNXQLBXLB-UHFFFAOYSA-N 436.218 4.100 5 20 IIBD CCCC[C@H](CC)CC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 522686954 SPZIKFKRBRHXPM-ZDUSSCGKSA-N 425.532 4.429 5 20 IIBD CNC(=O)c1ccc(CN(C)C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 522708735 HDJJXCCMKLZEDO-UHFFFAOYSA-N 434.452 4.411 5 20 IIBD Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 523089909 NUUMUKMMIFDJBM-JXHRLWIKSA-N 435.524 4.221 5 20 IIBD COC(=O)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c(OCC(F)(F)F)c1 523999049 AWNSJZPSJUNZTB-UHFFFAOYSA-N 446.765 4.157 5 20 IIBD COc1cc(OCC(=O)Nc2ccc(OCc3cccnc3)c(Cl)c2)ccc1[N+](=O)[O-] 530854919 PTGFHUFKSNNKIB-UHFFFAOYSA-N 443.843 4.248 5 20 IIBD C[C@@H]1CCN(C)c2ccccc2N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 533465562 IVCQKVRZKNOXEN-GFCCVEGCSA-N 429.420 4.037 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)Nc1cc2c(cc1Cl)OCO2)c1ccccc1[N+](=O)[O-] 535477401 VGGUGGRBRNRWGM-AWEZNQCLSA-N 449.847 4.181 5 20 IIBD O=C(Cc1ccc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)cc1)Nc1ccccc1F 536286402 NTSDIQGYNSQQIY-UHFFFAOYSA-N 436.443 4.279 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(C[S@](=O)Cc3ccn(-c4c(F)cccc4F)n3)co2)cc1 536307073 WJZBNZYYSDHBBK-WJOKGBTCSA-N 444.419 4.163 5 20 IIBD O=C(NCCC(=O)N1CCc2ccccc2[C@@H]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 536431589 TYJMJBCBTXOXHW-DEOSSOPVSA-N 443.503 4.083 5 20 IIBD C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 538328544 AHYVAMXDDBQIPC-IBGZPJMESA-N 430.508 4.393 5 20 IIBD CCN1CC[C@H](N(C)Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C[C@H]1C 539817235 LXIIOBMOKQQTOG-GCJKJVERSA-N 427.545 4.487 5 20 IIBD O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(Br)c(Cl)c1Cl 543684855 QXMYYLUFFPNOPV-UHFFFAOYSA-N 426.075 4.465 5 20 IIBD COc1ccc(CCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1OC(F)F 544081442 TZJJYGFAXPCIFS-UHFFFAOYSA-N 446.859 4.309 5 20 IIBD CC(=O)N1CCC[C@@H](c2noc(-c3ccc(Sc4nc(C)cs4)c([N+](=O)[O-])c3)n2)C1 546468358 JKAQHYCYAGCIBB-CQSZACIVSA-N 445.526 4.287 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 549381699 RWCVZPJKNOVQAJ-SFHVURJKSA-N 445.426 4.053 5 20 IIBD CCn1ccnc1[C@H]1CCCCN1Cc1cc(I)cc([N+](=O)[O-])c1 549613151 MRHUPJSGYOYBOW-MRXNPFEDSA-N 440.285 4.143 5 20 IIBD C[C@@H](NC1(Cc2cccc(F)c2)CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 549884464 KSOBCQKYQSXRDD-CQSZACIVSA-N 435.883 4.096 5 20 IIBD O=C(Nc1ccc(F)cc1)N[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 549919305 QZULZTDBCRSFCP-HNNXBMFYSA-N 426.370 4.149 5 20 IIBD CCN(CC)C[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cccs2)C1 549964572 FVMQROIWHFANNM-QGZVFWFLSA-N 440.573 4.131 5 20 IIBD O=C(NCc1cccc(Oc2ccccc2)c1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 551099459 GDVUTXMSJZKDKF-UHFFFAOYSA-N 445.475 4.195 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(NS(=O)(=O)Cc2ccccc2)c1 553648221 ODCPHUWXYKDQJC-UHFFFAOYSA-N 425.466 4.097 5 20 IIBD COc1ccc(CNC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1OCc1ccc([N+](=O)[O-])cc1 554885952 IEIJEGFSZRVVGT-JSZXIJHASA-N 438.524 4.356 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1cccc(Br)c1)C1CC1 555027404 WKKBCLSCGXJWLC-UHFFFAOYSA-N 446.301 4.049 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCCN(Cc2ccc(F)cc2)CC1 558931861 NZFWKJOBQSLROP-UHFFFAOYSA-N 425.382 4.101 5 20 IIBD COc1ccccc1O[C@H]1CCCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 560790717 VWHCAXWWWHAWOX-ZBFHGGJFSA-N 434.876 4.094 5 20 IIBD CCc1[nH]nc(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccc(C)cc3)C2)c1[N+](=O)[O-] 565152527 JWHRKDVTZZEICI-UHFFFAOYSA-N 448.483 4.031 5 20 IIBD COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)N(C)c2ccc([N+](=O)[O-])nc2)cc1 565622946 UPZRZNLWDZYHAJ-UHFFFAOYSA-N 443.463 4.057 5 20 IIBD O=C(CCn1ccnc1)Nc1cccc(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 569027390 MWUGUJFSGJTRIA-UHFFFAOYSA-N 447.373 4.091 5 20 IIBD Cc1cccc([C@@H]2CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3C[C@@H]3CCOC3)C2)c1 569331523 UJLKDNJXXIWNPK-GHTZIAJQSA-N 433.512 4.192 5 20 IIBD COc1cc(-c2nc(Cc3ccc(Br)c(C)c3)no2)cc([N+](=O)[O-])c1OC 573381243 ZGVUVICCSJJZGA-UHFFFAOYSA-N 434.246 4.324 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1C[C@@H]2CN(c3ccccc3)C[C@@H]2C1 573669255 IMALHBCNEYXMRV-BETUJISGSA-N 428.361 4.217 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCCCCc2ccc(Cl)s2)ccc1[N+](=O)[O-] 574062288 CCCUZJIAEPWUOM-SFHVURJKSA-N 449.960 4.362 5 20 IIBD COc1ccc(C(=O)NCC(=O)N2CCCCC[C@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] 574070693 UEVMAPJAIFWUQY-SFHVURJKSA-N 445.903 4.131 5 20 IIBD COc1cc(-c2nc(-c3ccc(OCc4ccccc4)nc3)no2)cc([N+](=O)[O-])c1OC 583537519 PMSASOVHJCLOEX-UHFFFAOYSA-N 434.408 4.303 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1 583903086 FALBESLKWWFVLH-AZUAARDMSA-N 427.570 4.494 5 20 IIBD NC(=O)N[C@H](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccc(Oc2ccccc2)c1 590664765 WSZOMPQLJLJGRZ-OAQYLSRUSA-N 446.463 4.076 5 20 IIBD O=C(c1ccc(NCC2(c3ccc(F)cc3)CCCC2)c([N+](=O)[O-])c1)N1CCOCC1 603860941 NHCIDYKBYVQGHF-UHFFFAOYSA-N 427.476 4.130 5 20 IIBD COc1ccc(CNC(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)cc1[N+](=O)[O-] 604017132 IRZVCEDNVPUXTL-UHFFFAOYSA-N 436.493 4.301 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)c(OCc2ccccc2)c1 604267033 BPNAQTGULNQAFV-KRWDZBQOSA-N 433.464 4.239 5 20 IIBD O=C(CCc1nc(-c2cc(Br)cs2)no1)Nc1ccc([N+](=O)[O-])cc1F 608870283 IHXBMWJHKTWBQM-UHFFFAOYSA-N 441.238 4.179 5 20 IIBD COC(=O)c1ccc(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c(OCC(F)(F)F)c1 609082103 KVGLTMLGNQWTGM-LLVKDONJSA-N 441.362 4.205 5 20 IIBD CC[C@@H](C)[C@H](NC(=O)c1csc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 609174237 JAHHRHPLLYXIMF-KUHUBIRLSA-N 430.530 4.040 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 609789204 IHQCIVKHXTVGOF-KXBFYZLASA-N 443.525 4.022 5 20 IIBD Cc1cc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)ccc1OCC(F)(F)F 609976357 JGSSRHTVFPMSNY-UHFFFAOYSA-N 434.374 4.497 5 20 IIBD CC(C)(C(=O)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 610155500 AZWYQUWHYDYNLE-UHFFFAOYSA-N 449.551 4.302 5 20 IIBD CC[C@@H](C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)N1CCCC1=O 610339955 TWZPTCAWMPMAIX-KRWDZBQOSA-N 449.866 4.197 5 20 IIBD Cn1cc(C(=O)C[C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cn1 611216473 OVGRLHLGJDYXJD-MRXNPFEDSA-N 442.541 4.241 5 20 IIBD Cn1ccnc1[C@H](NCCCc1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 611560685 SJDIXXFRDAQMKP-LJQANCHMSA-N 429.318 4.403 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CC[C@]2(C1)C(=O)Nc1ccccc12 614546766 FYISGSNXQDXNLE-HSZRJFAPSA-N 437.521 4.366 5 20 IIBD CCC[C@@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C(=O)Nc1cccc(N2CCCC2)c1 727711784 DDQPKOWZRWDICK-LJQANCHMSA-N 446.454 4.010 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCO[C@@H](c2ccccc2Cl)C1 728875811 JMXSFSXQFBAQKX-OAQYLSRUSA-N 429.904 4.452 5 20 IIBD O=C(C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1)OCc1c(F)cccc1[N+](=O)[O-] 728993021 ALACIHSUDZVHCD-HXUWFJFHSA-N 438.411 4.044 5 20 IIBD CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)OCc1ccc(OC)c([N+](=O)[O-])c1)O[C@H](C)C2 730651711 OMKFGNSUNSWHQY-SKDZVZGDSA-N 427.453 4.172 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 731464741 QGXRIVOUEUWUEF-UHFFFAOYSA-N 439.859 4.214 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1cccc(C[S@](=O)C2CCCCC2)c1 735021661 OEEDPHYHHCBOFQ-PMERELPUSA-N 434.489 4.333 5 20 IIBD C[C@@H]1Oc2ccc(C(=O)C3CCN(Cc4cc([N+](=O)[O-])ccc4Cl)CC3)cc2NC1=O 735492172 NWQSXNZOAGDPDN-ZDUSSCGKSA-N 443.887 4.063 5 20 IIBD CN1C(=O)CC[C@H](COC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 737372608 DMHWLTVDZVWVPN-BEFAXECRSA-N 436.386 4.380 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2cnn(-c3ccccc3F)c2)c(-c2cccs2)c1 742272173 YKGKPXMYFOUBOJ-UHFFFAOYSA-N 445.453 4.416 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCN(c2ncnc3sccc23)C1 744152941 YZPJTQMZAVQHQV-LBPRGKRZSA-N 432.889 4.213 5 20 IIBD Cc1cnc(C(=O)Oc2ccc(Cl)cc2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cn1 744283456 JLAWZMZVVNCUNX-UHFFFAOYSA-N 447.234 4.472 5 20 IIBD Cc1csc(COC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 744313037 QGOBFUIANCMIRC-UHFFFAOYSA-N 429.420 4.338 5 20 IIBD Cc1ccc(N2CCOC2=O)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 744381787 CGGZBYWBZCYCTA-UHFFFAOYSA-N 438.484 4.348 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2cc(Br)cn2C(C)C)cccc1[N+](=O)[O-] 745460122 PURDEBMYGZOCMY-LBPRGKRZSA-N 438.278 4.232 5 20 IIBD CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C 745565427 MZYHXLGXHPKWNM-NSHDSACASA-N 426.347 4.189 5 20 IIBD O=C(Nc1ccc(OC(=O)[C@H]2CCCN2Cc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 745839524 XADXUXGJMYBKLF-HSZRJFAPSA-N 445.475 4.417 5 20 IIBD O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 746000031 WXZIWYMKBFXMIH-ACCUITESSA-N 430.376 4.417 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cccc(Cl)c2Cl)c(Br)c1 746604704 MCRTYLXBIWOCIZ-UHFFFAOYSA-N 427.059 4.432 5 20 IIBD Cc1sc2nc([C@@H](C)OC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)nc(O)c2c1C 748945883 BJLGJYQBBKNYCB-SNVBAGLBSA-N 446.441 4.365 5 20 IIBD COc1cc(-c2noc(COC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)ccc1C 750026788 DTUYHWCAVVMILA-GFCCVEGCSA-N 447.831 4.126 5 20 IIBD O=C(Nc1ccc(N2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1I 751053437 BXUKDJBULMPMFX-UHFFFAOYSA-N 437.237 4.052 5 20 IIBD CCO[C@H](C)c1nc(COC(=O)c2cc([N+](=O)[O-])c(Br)cc2F)cs1 751692243 NZVVMLXXKDGSQG-MRVPVSSYSA-N 433.255 4.407 5 20 IIBD CC[C@H](C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1cccc(C(F)(F)F)c1 752572234 BMPBVUYASBKHSX-AWEZNQCLSA-N 428.338 4.428 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NCC[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c1[N+](=O)[O-] 753818275 OAPAEHHHBYCUQY-YJBOKZPZSA-N 428.489 4.016 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1ccc(Cl)cc1 754987952 NKXKUGPEUUCYTJ-VHSXEESVSA-N 429.231 4.463 5 20 IIBD O=C(NC[C@H](O)c1ccccc1C(F)(F)F)Nc1ccc(Br)c([N+](=O)[O-])c1 755023961 BXJKVDIBCIBVDV-AWEZNQCLSA-N 448.195 4.231 5 20 IIBD C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1nc2ccc(Cl)cc2[nH]1 755314558 ZWJHHHCNPFKQSA-VIFPVBQESA-N 437.681 4.307 5 20 IIBD C[C@](O)(CC(=O)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)C1CC1 756313718 UKDVYBNLHBUBKO-FPOVZHCZSA-N 432.860 4.022 5 20 IIBD Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 756734885 BPQZQWNTBYFKSM-HNNXBMFYSA-N 432.546 4.153 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)O[C@H]2CCO[C@H](c3ccc(C)cc3)C2)cc1OC 757531286 YKHAYVYBXVJDEP-PXNSSMCTSA-N 445.468 4.014 5 20 IIBD Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] 760025929 BQAJWWZMNNKHAC-SFHVURJKSA-N 433.940 4.209 5 20 IIBD CC(C)CNC(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC1 763554201 FFCQTECFADBNRI-UHFFFAOYSA-N 433.574 4.254 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1ccccc1Br 763815548 VNJMEOIAROHVLD-UHFFFAOYSA-N 439.287 4.265 5 20 IIBD C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 765056101 IQVREPLGFRLETR-SJLPKXTDSA-N 442.516 4.451 5 20 IIBD O=C(OC[C@@H]1CCO[C@@H]1c1ccccc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 769337465 DXNJCWWBZRZRIT-KBXCAEBGSA-N 425.359 4.471 5 20 IIBD Cc1c(NC(=O)CCN2[C@H]3CCC[C@H]2CC(NC(=O)OC(C)(C)C)C3)cccc1[N+](=O)[O-] 769632475 LUXFXNPIIYBZEP-ROUUACIJSA-N 446.548 4.142 5 20 IIBD Cc1cccc(Cl)c1NC(=O)COC(=O)c1sc(Br)cc1[N+](=O)[O-] 773600458 UHBZNMUKHFQZJW-UHFFFAOYSA-N 433.667 4.176 5 20 IIBD Cc1cc(C)n(-c2ccc(C(=O)O[C@@H](c3cccnc3)c3ccccc3[N+](=O)[O-])cn2)n1 776216616 BHFZJRXPRMHNEK-QFIPXVFZSA-N 429.436 4.134 5 20 IIBD C[C@H]1CC(=O)CC[C@@H]1C(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 776292629 RQPTZAFZCCCCAV-SJCJKPOMSA-N 430.844 4.411 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(Nc3cc4c(cc3Br)OCCO4)CC2)cc1 777708117 MCARPWDDKXVTCZ-UHFFFAOYSA-N 434.290 4.209 5 20 IIBD Cc1cc(Br)c2c(c1)CN(c1ccc([N+](=O)[O-])cc1N1CCOC1=O)CC2 777793922 IGNWMDDFCVEUTF-UHFFFAOYSA-N 432.274 4.185 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 778025361 WJEWXXIUJILSSJ-IBGZPJMESA-N 435.864 4.159 5 20 IIBD COc1ccc2ccccc2c1-c1cc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)on1 778212816 NUWIEGLLMFOHBI-UHFFFAOYSA-N 448.391 4.250 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 779897320 VLUHZPLBGHJPBN-HNNXBMFYSA-N 437.562 4.474 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@@H](C)OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 781258680 BCMDPRPYEPMDAF-OAHLLOKOSA-N 430.460 4.182 5 20 IIBD O=C(OCc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 781259606 LYRWBTDAERRZIX-UHFFFAOYSA-N 443.427 4.035 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCCCC(=O)OCc1ccccc1 781927897 RIMQWMDDAGIUOB-UHFFFAOYSA-N 442.515 4.185 5 20 IIBD O=C(NCc1ccc(OCc2ccccc2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 783297543 RVXKDUKPZBVMMB-UHFFFAOYSA-N 439.855 4.082 5 20 IIBD COCc1nc(COC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cs1 783726950 WYKIRKSAMZLFJL-UHFFFAOYSA-N 443.268 4.047 5 20 IIBD CCCCOc1ccc(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1Cl 786442670 RQELUZPBGLTFSZ-UHFFFAOYSA-N 440.283 4.335 5 20 IIBD CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 790965676 PVTURJUVHMYLAS-UHFFFAOYSA-N 439.472 4.067 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc(-c2ccccn2)nc2ccccc12 792204381 XKVUTUJEZKIVRM-UHFFFAOYSA-N 430.376 4.470 5 20 IIBD COc1cccc(NC(=O)[C@@H](OC(=O)c2cccc([N+](=O)[O-])c2OC)c2ccccc2)c1 796310722 RQEHCLOWXIRLJK-FQEVSTJZSA-N 436.420 4.149 5 20 IIBD CCOC(=O)CN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(C)cc1 798729153 YKHCBUWRLGVIFP-UHFFFAOYSA-N 425.466 4.237 5 20 IIBD CCOc1c(Br)cc(C(=O)Nc2c(F)ccc([N+](=O)[O-])c2C)cc1OC 800150284 JWSPGGAZFYKREP-UHFFFAOYSA-N 427.226 4.464 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCc1ccncc1OCc1ccccc1 803398173 NUMFKSUQSUMHOF-UHFFFAOYSA-N 429.835 4.220 5 20 IIBD CCS(=O)(=O)c1ccc([C@@H](C)Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1 804720719 MZOQBMAEVSGEQW-SNVBAGLBSA-N 447.391 4.489 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)C(=O)C1(c2ccccc2)CC1 808524834 IVXYBUFNQZGFMR-NSHDSACASA-N 436.233 4.343 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H]1c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 809429157 PDWUIHIYURIJLK-CYBMUJFWSA-N 439.266 4.013 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](C2CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)CC2)C1 811941275 AWJMEDYZYSVKPV-SFHVURJKSA-N 445.560 4.368 5 20 IIBD COCCn1c(-c2ccc3ccccc3n2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 812105596 NACXJZYVGPBHAR-UHFFFAOYSA-N 446.511 4.463 5 20 IIBD CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 815123220 ZPKROKUPZGRHGA-CYBMUJFWSA-N 431.411 4.133 5 20 IIBD C[C@H](OC(=O)[C@H](C)Cc1cnc2ccccc2n1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 815461527 AAOQHNGCVAQQFC-KGLIPLIRSA-N 433.424 4.071 5 20 IIBD CCCCN(C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C1CCCCC1 815889093 JWTRMFKCRZUYEG-UHFFFAOYSA-N 426.311 4.257 5 20 IIBD C[C@@H](C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1)c1ccc([N+](=O)[O-])cc1F 816854528 NOAVHCYTXWSPIC-CABCVRRESA-N 435.496 4.276 5 20 IIBD CN(c1ccc(NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)cc1F)C1CCCCC1 916436877 LULFSLQCECJHCM-UHFFFAOYSA-N 449.504 4.159 5 20 IIBD Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 917778545 JXHFIFVUUUIGBW-UHFFFAOYSA-N 440.456 4.244 5 20 IIBD Cn1c(COC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])nc2cc(Cl)ccc21 919195434 GZWDWMLJKGKALB-UHFFFAOYSA-N 443.765 4.433 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 1116015148 UXAANOYCPLTEHE-UHFFFAOYSA-N 437.327 4.338 5 20 IIBD NC(=O)COC1CCN(C(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)CC1 1116176954 OCWJOCCMJHEYCP-UHFFFAOYSA-N 442.515 4.040 5 20 IIBD O=C(COCc1ccncc1)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 1261127115 HAVPMHZUWVGJGD-UHFFFAOYSA-N 441.827 4.018 5 20 IIBD CN(Cc1ccccc1)Cc1cccc(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 1346014820 SGRYMPXHZFNYQE-UHFFFAOYSA-N 433.464 4.022 5 20 IIBD COc1ccc(NC(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c([N+](=O)[O-])c1 1347509606 MXCUOZOZSHDOBY-IRXDYDNUSA-N 426.256 4.032 5 20 IIBD CC/C=C(\C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3cccc([N+](=O)[O-])c3)CCC1)C2 1803452744 FWHOERCNRLVITA-YEUZJSNVSA-N 425.529 4.011 5 20 IIBD CC(C)=CCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])o1)CC2 1822726051 WRWDFWKJPAIICL-DNGMOHDESA-N 444.513 4.016 5 20 IIBD CC1=CC[C@@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)CC1 1823614676 RVHDSGUQLTWQAT-RTBURBONSA-N 429.517 4.168 5 20 IIBD Cc1cscc1C(=O)N1CC2(CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 1845738956 VYHDNEHAMWIJBO-UHFFFAOYSA-N 441.534 4.310 5 20 IIBD CCOc1cc2c(cc1OCC)CN(C(=O)c1ccc(NC3CC3)c([N+](=O)[O-])c1)CC2 8174894 KFJHCGUBLAJXFE-UHFFFAOYSA-N 425.485 4.165 5 20 IIBD COc1ccc(C(=O)C2CCN([C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CC2)cc1 14325657 ADRFPAWOSIVZJI-AWEZNQCLSA-N 445.903 4.179 5 20 IIBD C[C@H](OC(=O)CCc1ncc(-c2ccccc2)o1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 14401501 VZAMANVYUUQRCC-ZDUSSCGKSA-N 443.843 4.406 5 20 IIBD CC(=O)Nc1cc2ccccc2cc1C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 16413367 IDGSAYDUSTVONS-UHFFFAOYSA-N 432.392 4.113 5 20 IIBD COc1cc(C(=O)NCCC(=O)OC(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 16964089 ZTTWUNZKJCOVKH-UHFFFAOYSA-N 436.848 4.121 5 20 IIBD Cc1nc(COc2ccccc2C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cs1 19485275 BUYOUCHGCVSSMV-CYBMUJFWSA-N 441.465 4.123 5 20 IIBD Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 21799690 GNAKQSZRXQGJHG-UHFFFAOYSA-N 443.569 4.059 5 20 IIBD C[C@@H](OC(=O)COc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1Oc1ccccc1 22478146 SNZOIBKWXGVVNW-MRXNPFEDSA-N 436.420 4.336 5 20 IIBD Cc1csc(Sc2ccc(C(=O)OCC(=O)N3[C@@H](C)CCC[C@H]3C)cc2[N+](=O)[O-])n1 28831709 VDZDAUSLXNNLHE-OKILXGFUSA-N 449.554 4.457 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCCOc2ccccc2F)c([N+](=O)[O-])c1 30621675 MQEISVIRLMHGDD-UHFFFAOYSA-N 438.411 4.242 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2cccc(Br)c2)cs1 40929525 IKBFNGKLZRZGBS-UHFFFAOYSA-N 434.271 4.498 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)cn2)cc1C 58363690 SXFABRQEPVWLAZ-UHFFFAOYSA-N 430.424 4.232 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1c2c(nn1-c1ccccc1)CCC2 64783025 RQCUJQZOYOFYQZ-ZDUSSCGKSA-N 426.860 4.329 5 20 IIBD Cn1cnnc1Sc1ccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 65323956 CYKZDCNANASQHP-UHFFFAOYSA-N 438.494 4.250 5 20 IIBD CC(C)(C)c1ccc(OCc2nnc(SCc3c(F)cccc3[N+](=O)[O-])n2N)cc1 97549861 NBONXFLPSJEXTN-UHFFFAOYSA-N 431.493 4.208 5 20 IIBD COc1cc(CCNC(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)c([N+](=O)[O-])cc1OC 217474406 KNQAQWNZHHOXOW-HUUCEWRRSA-N 438.402 4.093 5 20 IIBD Cn1cc(CNCc2cccc(NC(=O)C3CCCC3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 237780287 QSNUPTVOHJTCCD-UHFFFAOYSA-N 433.512 4.414 5 20 IIBD Cc1ccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(OC[C@@H]2CCCO2)c1 237880005 OBXIKJFKXQXANO-QFIPXVFZSA-N 436.512 4.151 5 20 IIBD NC(=O)N1CCCc2ccc(NC(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)cc21 427961042 QOPGRCQZBKBMLH-UHFFFAOYSA-N 431.452 4.422 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC[C@@H]4CN(C)CC[C@H]43)cc2[N+](=O)[O-])n1 428722209 OULWOOUYLMUBAV-HZPDHXFCSA-N 432.571 4.067 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(CCc1ccccn1)Cc1cccnc1 431303534 ZDFYPAXZQSFOOS-MRXNPFEDSA-N 440.887 4.077 5 20 IIBD C[C@H]1Oc2ccc(C(=O)C3CCN(c4c(Cl)cccc4[N+](=O)[O-])CC3)cc2NC1=O 432322121 KATXLBBCKZPKLX-GFCCVEGCSA-N 429.860 4.067 5 20 IIBD CC(C)[C@H](c1ccc(F)cc1)N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 435297308 UYSZVXPFBUVLNO-QGZVFWFLSA-N 439.390 4.130 5 20 IIBD C[C@H]1CCCN(CCCCNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 436098955 KWEMBWQOPPXBGD-HNNXBMFYSA-N 427.495 4.201 5 20 IIBD Cc1c(C(=O)N2C[C@@H](c3ccccc3)c3ccccc32)nnn1-c1cccc([N+](=O)[O-])c1 436272030 FGXKPXSRNDTUPQ-NRFANRHFSA-N 425.448 4.276 5 20 IIBD COc1cccc(OC)c1OC1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 436311758 UVWGCYMQOYRCFB-UHFFFAOYSA-N 427.379 4.074 5 20 IIBD COc1ccccc1-c1csc(C2CCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)CC2)n1 436607047 RBCWITDCVCGAHV-UHFFFAOYSA-N 439.493 4.452 5 20 IIBD O=C(NCc1ccc(OCc2ccccn2)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 438000785 IADIFIUSSYQMNV-UHFFFAOYSA-N 432.480 4.443 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CC)CC1CCN(c2ccccn2)CC1 439875905 FHBKTWCTEVIAJX-UHFFFAOYSA-N 427.505 4.159 5 20 IIBD CC(C)C(=O)Nc1nc(CC(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cs1 440600144 RKQQZBIDONPNHH-UHFFFAOYSA-N 438.509 4.422 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1 443945144 GAMXBIBCVZRYCW-LJQANCHMSA-N 432.908 4.060 5 20 IIBD COc1cc(CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)ccc1OCC(F)(F)F 443951234 JHETWFLTQCFMDH-UHFFFAOYSA-N 427.379 4.483 5 20 IIBD Cc1nnc(-c2cccc(NC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)c2)n1C 444249586 IRRYYPPAHKFTTH-UHFFFAOYSA-N 427.439 4.177 5 20 IIBD CC[C@H](NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1)c1cccc([N+](=O)[O-])c1 446676334 KMBQIQGGQPMZAI-DLBZAZTESA-N 448.405 4.272 5 20 IIBD Cc1nc2c(s1)[C@@H](N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)CCC2 447035035 ASRXMSVUQWLQPF-ZDUSSCGKSA-N 435.449 4.077 5 20 IIBD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)n1 447528257 ILNPYGXGRUPKIN-CEXWTWQISA-N 437.466 4.158 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 448133023 STFRQPJVGZPHSW-UHFFFAOYSA-N 446.794 4.254 5 20 IIBD Cc1nc(C)c([C@H](C)N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@H]2CCCO2)s1 461123785 FQHHQQCPQIKROA-KBXCAEBGSA-N 442.545 4.303 5 20 IIBD COc1ccc(-n2c(NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc34)nc3ccccc32)cc1 461252898 SZZAKGDDNZCMEI-UHFFFAOYSA-N 428.408 4.071 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(OCc2noc(C3CC3)n2)cc1 467341338 NFXQEYBJBPXGQN-UHFFFAOYSA-N 443.847 4.409 5 20 IIBD Cn1cc(C(=O)N2CCCc3c([nH]c4c(F)cccc34)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 467793910 YIPNRVJZZMOLAR-UHFFFAOYSA-N 433.443 4.204 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2 468741918 FAIGXNYSGFYFJL-HNNXBMFYSA-N 443.550 4.339 5 20 IIBD CCCNc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 469046384 VCZLXQHGVUSFLU-UHFFFAOYSA-N 434.378 4.269 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)c2cc(F)c(F)cc2I)cc1[N+](=O)[O-] 471907485 OPTRGUBYVXTOFE-SECBINFHSA-N 446.191 4.277 5 20 IIBD CC(C)(NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc(OC(F)(F)F)cc1 475699297 OXYYZVQUCWAGNM-UHFFFAOYSA-N 439.390 4.316 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@@H](c2nnc3n2CCC3)C1 477569515 GINYDZFMIHWKES-MRXNPFEDSA-N 448.483 4.336 5 20 IIBD C[C@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F 480441519 CFSZUZMOYMSSJS-LBPRGKRZSA-N 440.410 4.477 5 20 IIBD C[C@@]1(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCCC[C@H]1O 480988813 OITLUCBFPGASHY-RDGATRHJSA-N 448.523 4.047 5 20 IIBD CC1(C)CN(c2c([N+](=O)[O-])cnc3ccc(Br)cc23)C[C@@]2(CCCOC2)O1 481093044 SPPLFBMJWIVUPI-LJQANCHMSA-N 436.306 4.070 5 20 IIBD CCOCCCn1c(NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])nc2ccccc21 484353028 ROYJBZSMZIFEPX-UHFFFAOYSA-N 444.513 4.354 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1nnnn1-c1ccccc1 486742680 PTWPYYNYIYBUBF-OAHLLOKOSA-N 446.492 4.213 5 20 IIBD COCCN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@H]1CCO[C@H]1C 488847356 AYEYMUUOOJHOLL-KSSFIOAISA-N 434.876 4.307 5 20 IIBD CCn1c(SCCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1ccc(F)cc1 489664723 ZEDSKWHATVRCER-UHFFFAOYSA-N 445.476 4.142 5 20 IIBD O=C(NCCn1cc([N+](=O)[O-])cn1)c1sc2cccc(F)c2c1COc1ccccc1 491019173 NFBGJZXGTMEFHJ-UHFFFAOYSA-N 440.456 4.154 5 20 IIBD Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)CC3 491482437 WHROHYDFSOCNLN-CQSZACIVSA-N 442.313 4.363 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1C 497555164 SDCPMLMJIKGCOI-GASCZTMLSA-N 445.541 4.131 5 20 IIBD O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccc([N+](=O)[O-])c2cccnc12 498263734 CNYAQYVGDSWAJQ-UHFFFAOYSA-N 429.314 4.464 5 20 IIBD CCC[C@@H]1SCCN1C(=O)c1ccc(C(=O)N2CCS[C@H]2CCC)c([N+](=O)[O-])c1 499044167 XWOPRBNAYKINGV-ROUUACIJSA-N 437.587 4.225 5 20 IIBD COc1ccc(C(=O)CCCC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 499867832 GWELUXGCXXXOKJ-UHFFFAOYSA-N 426.469 4.026 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(=O)N(C)[C@H](C)c1ccccc1 500194461 WMMFBSCKAXFXOK-MRXNPFEDSA-N 429.542 4.389 5 20 IIBD C[C@H](NS(=O)(=O)c1c(Cl)cc(F)cc1Br)c1cccc([N+](=O)[O-])c1 502422905 NWGUBDKLZVMRAF-QMMMGPOBSA-N 437.674 4.189 5 20 IIBD CC(C)CC[C@@H](NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1 502808442 PIUPIQIPAKOGOR-QGZVFWFLSA-N 431.876 4.450 5 20 IIBD O=[N+]([O-])c1ccc(CCS(=O)(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)cc1 503459211 ODHIRFDUWOYEQN-UHFFFAOYSA-N 428.432 4.151 5 20 IIBD COc1cc(CCNC(=O)N2CCC[C@@H]2/C=C/c2ccccc2)c([N+](=O)[O-])cc1OC 508054657 TUBCROGKFFLPEG-GNISGLHKSA-N 425.485 4.042 5 20 IIBD CCOC(=O)CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H](C)c1cccc(Br)c1 508296495 ANSHGGYUXPDILE-AWEZNQCLSA-N 449.301 4.053 5 20 IIBD O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc(Oc2ccc(Br)cc2)cc1 508888262 HTXCXDPQVWFDSY-UHFFFAOYSA-N 431.246 4.375 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 509766260 JCTHVGGOMRJBJL-UHFFFAOYSA-N 428.508 4.319 5 20 IIBD CN(C(=O)CN[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 510453181 SLGJGCQSQICDIG-INIZCTEOSA-N 433.333 4.052 5 20 IIBD O=C(NC1CC1)c1ccc(N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c([N+](=O)[O-])c1 511670704 JBQXIBVZASIPBC-GOSISDBHSA-N 448.445 4.192 5 20 IIBD O=C(Nc1nc(-c2cccc(Cl)c2)cs1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 512493310 GVZOQWUESPHMDC-UHFFFAOYSA-N 426.845 4.205 5 20 IIBD COc1ccc(-c2nc(C)c(C(=O)N(C)CCc3cccc([N+](=O)[O-])c3)s2)cc1OC 512954550 IIFZQMVKIQRHKP-UHFFFAOYSA-N 441.509 4.359 5 20 IIBD Cc1ccc(SCC(F)(F)F)c(NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c1 513480569 FMQLMAVMNGHSGL-UHFFFAOYSA-N 448.444 4.213 5 20 IIBD Cc1ccccc1CNc1ccccc1NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 513667658 VIQXJZBKAJCLCN-UHFFFAOYSA-N 439.493 4.171 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3nc(-c4cccs4)nn3C)cc2[N+](=O)[O-])C1 516603978 KMKZXLSBDZFVDG-OKILXGFUSA-N 440.529 4.186 5 20 IIBD CC(C)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)c(C(F)(F)F)c1 517921783 QSYRULQTIDRPKL-UHFFFAOYSA-N 446.403 4.057 5 20 IIBD CNc1ccc(C(=O)NCc2ccc(-n3nc(C)cc3C)cc2C(F)(F)F)cc1[N+](=O)[O-] 518726423 LPVRLEIAZDMWAC-UHFFFAOYSA-N 447.417 4.388 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccc4nc(N(C)C)ccc4c3)cc2)c(C)c1[N+](=O)[O-] 520260036 DXUJPWIYDTXODO-UHFFFAOYSA-N 444.495 4.323 5 20 IIBD CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 522547810 VALLPSNJXPUEPV-QGZVFWFLSA-N 432.908 4.472 5 20 IIBD Cc1ccc(C)c(C(=O)c2ccccc2C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 522921729 JRQAROZFWBUUGI-GOSISDBHSA-N 444.491 4.164 5 20 IIBD Cc1nn(CCC(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)c(C)c1[N+](=O)[O-] 523273386 GINIPKGBRLUKPR-GOSISDBHSA-N 435.322 4.218 5 20 IIBD O=C(Nc1cccc(Cl)c1O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 524504818 FHRNUMMOAFLNMZ-UHFFFAOYSA-N 447.856 4.007 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ncc(-c3cccc(F)c3)[nH]2)c([N+](=O)[O-])c1 530388607 CHMHZGUFOPRPMJ-SFHVURJKSA-N 444.488 4.348 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cccc(OCC(=O)O)c2)cc1 531746530 RKVFORNQKHGOMH-UHFFFAOYSA-N 438.392 4.111 5 20 IIBD O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cccc([N+](=O)[O-])c1N1CCOCC1 537348572 ZDRKOJMKEKAIHS-UHFFFAOYSA-N 449.492 4.060 5 20 IIBD O=C(Nc1cccc(CN2CCCCC2)c1)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 539382450 MVQFPPDIKKQWDK-UHFFFAOYSA-N 438.513 4.102 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)c1 541459228 XRZULNVFGJRDAZ-UHFFFAOYSA-N 438.311 4.305 5 20 IIBD COc1ccc(NC(=O)CN[C@H](C)c2sc(-c3ccc(F)cc3)nc2C)c([N+](=O)[O-])c1 541656377 YTODZWACILLHIW-GFCCVEGCSA-N 444.488 4.464 5 20 IIBD COc1cc(CNCc2cc(Cl)cc3c2OCC3)c([N+](=O)[O-])cc1OCC(F)F 543623807 LVFHNNJIRZUCGB-UHFFFAOYSA-N 428.819 4.125 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2nc(-c3ccccc3)cs2)c([N+](=O)[O-])c1 544490534 WOXCDWKMIKDPIF-UONOGXRCSA-N 426.498 4.405 5 20 IIBD COc1ccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1OC(C)C 544847372 UUPJSWWMAJNZTC-UHFFFAOYSA-N 435.285 4.498 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3ccc4c(c3)OCCCO4)n2)c(Br)c1 545756118 NHJGQRRMKQEJHJ-UHFFFAOYSA-N 432.230 4.159 5 20 IIBD O=[N+]([O-])c1cc2c(cc1Cc1nc(Cc3nc4cc(Cl)ccc4s3)no1)OCCO2 546289569 SMMTVEXZYVWHHX-UHFFFAOYSA-N 444.856 4.194 5 20 IIBD CC(C)c1ccc(-c2noc(CSc3nc4cc([N+](=O)[O-])ccc4c(=O)n3C)n2)cc1 546548115 RBICAZWHACSCRO-UHFFFAOYSA-N 437.481 4.307 5 20 IIBD C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](c1ccc(Cl)cc1)c1ccn(C)n1 546575392 PXQWHSZADKFMKD-SZNDQCEHSA-N 427.892 4.078 5 20 IIBD CC(C)(C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1)c1ccc([N+](=O)[O-])cc1F 547234569 QPMVOUCKWPHTOF-ZDUSSCGKSA-N 437.418 4.008 5 20 IIBD CC(C)(C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1)c1ccccc1[N+](=O)[O-] 551651079 WIXNMYARNRTKJE-UHFFFAOYSA-N 426.864 4.018 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC[C@H](Sc2cccc(Cl)c2)C1 554264525 RRUZXBQFNTZQIJ-INIZCTEOSA-N 428.901 4.441 5 20 IIBD C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 556921837 FOGLVPSHEAQCHA-SGTLLEGYSA-N 426.300 4.332 5 20 IIBD O=[N+]([O-])c1nn(Cc2ncc(-c3cccc(Br)c3)o2)cc1Br 558609469 BUNQRSZMDOGQRL-UHFFFAOYSA-N 428.040 4.020 5 20 IIBD CC[C@H](C)c1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1C[C@@H]1CCCCO1 559205669 IZUWFTHNAKYBMW-UWJYYQICSA-N 443.548 4.317 5 20 IIBD CCOC(=O)c1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c(F)cc1C 560136230 HMPYTQNMHFAXLZ-UHFFFAOYSA-N 439.237 4.163 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 560159696 QMQHRJNXRIJKID-SFHVURJKSA-N 443.219 4.275 5 20 IIBD CCN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C(c1ccccc1)c1ccccc1 561007176 GSWCNHDSSUDNCG-UHFFFAOYSA-N 433.464 4.374 5 20 IIBD CCOc1cccc2cc([C@@H](C)NC(=O)C(=O)Nc3cc([N+](=O)[O-])ccc3CC)oc12 569294972 RYQXDCKXPVRWSA-CYBMUJFWSA-N 425.441 4.118 5 20 IIBD O=[N+]([O-])c1cccc(Oc2ccc(-c3noc([C@H]4CC45CCS(=O)(=O)CC5)n3)cc2)c1 569648509 LHUJPFCZVSJCLK-GOSISDBHSA-N 441.465 4.119 5 20 IIBD CC(C)[C@]1(CO)CCCN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 572315632 SERUOURPLQYRPC-UZUQRXQVSA-N 426.517 4.034 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CCN(c2nnc(C(F)(F)F)s2)CC1 574832504 YZJJVZXPOWDWSS-UHFFFAOYSA-N 428.223 4.099 5 20 IIBD CC[C@@H](C)NS(=O)(=O)c1cccc(NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 600861469 VOZHLVYGIXBPIX-GFCCVEGCSA-N 431.436 4.303 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)Cc3ccc(F)cc3)cc2)cc1[N+](=O)[O-] 603501787 HOBMHKFFMMHHIO-UHFFFAOYSA-N 443.456 4.024 5 20 IIBD CC(C)(C)[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(F)cc1 604147260 UTSFRQCBJBVZDJ-MRXNPFEDSA-N 439.390 4.177 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCc2c(ccc(Cl)c2Cl)C1 608798048 JQLPDCIXRZNKSR-UHFFFAOYSA-N 428.659 4.078 5 20 IIBD O=C(NCCCNc1ccc2ncccc2c1[N+](=O)[O-])c1ccc(Br)cc1 608831275 CEVPHAKNFLGDQL-UHFFFAOYSA-N 429.274 4.138 5 20 IIBD CCCOc1cc(NC(=O)Cc2cn3cccc(C)c3n2)c([N+](=O)[O-])cc1OCCC 608846400 BJCIEDSNJJILIB-UHFFFAOYSA-N 426.473 4.310 5 20 IIBD COc1ccc(CC(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)cc1[N+](=O)[O-] 609016859 IFJMSHILBIVBCQ-UHFFFAOYSA-N 426.473 4.193 5 20 IIBD CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c(C(F)(F)F)c1 609226085 ITMLVGATSJYVEA-GFCCVEGCSA-N 439.390 4.217 5 20 IIBD C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 609392720 RXVDQDSYSOPNAF-LLVKDONJSA-N 443.809 4.216 5 20 IIBD CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 609496917 QFEWWHGCQICBSA-CQSZACIVSA-N 442.324 4.226 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(N[C@H]3CCCN(Cc4ccc(F)cc4Cl)C3)cc2N1 609513105 WLXACPACWGMWPI-INIZCTEOSA-N 432.883 4.349 5 20 IIBD O=c1c2sc(-c3ccccc3)cc2ncn1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 609750199 ALPPFWORKWNQJK-UHFFFAOYSA-N 448.460 4.031 5 20 IIBD CCc1ccc([C@H](C)NC(=O)CSCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cc1 609770870 RTWOZTSCDSSQKK-HNNXBMFYSA-N 443.525 4.066 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1 610000236 OVBXSFXBLZOADY-UHFFFAOYSA-N 428.466 4.411 5 20 IIBD CO[C@@H](CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1Cl 610788609 ZQDOCWOWCNMWNX-FQEVSTJZSA-N 433.892 4.189 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2cccc(N3CCCCC3)c2)ccc1[N+](=O)[O-] 726502766 KFSOMQDFKHKQTL-QFIPXVFZSA-N 436.512 4.137 5 20 IIBD CCn1c(COC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)nc2c(F)cccc21 728620818 NENDKCQNHFJPIE-UHFFFAOYSA-N 433.461 4.089 5 20 IIBD Cc1cc(OCC(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)ccc1C(C)C 729192148 KOKADTCAKVAVOU-UHFFFAOYSA-N 427.501 4.260 5 20 IIBD CN(C(=O)[C@H]1C[C@H]1c1cccc2ccccc12)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 730920377 LRWYWZSDIPHXHX-ROUUACIJSA-N 444.896 4.352 5 20 IIBD C[C@@H](OC(=O)c1ccccc1COc1cccc(C=O)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 731748658 MMHYNIDDOFTOLE-MRXNPFEDSA-N 448.431 4.170 5 20 IIBD Cc1nc2c(s1)[C@@H](N(C)c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])CCC2 731903150 AIWWJWFEBHWLLS-ZDUSSCGKSA-N 435.449 4.167 5 20 IIBD O=C(O[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1cc([N+](=O)[O-])ccc1Cl 733814978 JLXZKYUVSSDMJV-HNNXBMFYSA-N 444.749 4.109 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)N3CCN(Cc4cc([N+](=O)[O-])ccc4Cl)CC3)n2)cc1 735491533 LEDCTSTZLLQIAE-MRXNPFEDSA-N 441.919 4.485 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1nnn(-c2ccc(OC(C)C)cc2)c1C 736159820 HDDPGTKINFDTHY-UHFFFAOYSA-N 429.864 4.485 5 20 IIBD C[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 737803976 GBFACAODWHIEHY-VGSWGCGISA-N 433.464 4.440 5 20 IIBD CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])CC1 742001942 WZKZUNJLIHAEPI-GOSISDBHSA-N 425.382 4.060 5 20 IIBD O=C1C[C@@H](C(=O)N(c2ccccc2F)C2CCCC2)CN1c1ccc(F)c([N+](=O)[O-])c1 742222349 IXGOVBIHBPMYDN-CQSZACIVSA-N 429.423 4.202 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 742317434 GFIFGDURZNACQS-UHFFFAOYSA-N 428.850 4.363 5 20 IIBD O=C(Oc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 744073329 AUGKEEUGWVZDOD-CQSZACIVSA-N 449.916 4.105 5 20 IIBD Cn1cc(CC(=O)Oc2ccc(Cl)cc2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cn1 744283042 GAARDWJWDBPYCF-UHFFFAOYSA-N 449.250 4.036 5 20 IIBD C[C@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 745330351 NDZMSTUYWACYRK-KRWDZBQOSA-N 434.448 4.287 5 20 IIBD CCCOc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1OC 748620071 JJTCLKHLUOUBCF-AWEZNQCLSA-N 431.445 4.408 5 20 IIBD O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 755649304 GYQAZVMUAOOPBD-QHCPKHFHSA-N 435.455 4.090 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1c[nH]nc1-c1cccc(Cl)c1 756600658 CHHPVGQYBZWZJS-UHFFFAOYSA-N 425.788 4.045 5 20 IIBD C[C@H](OC(=O)CCSc1ccccn1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 756743005 YCODLTOLRWZFPM-NSHDSACASA-N 443.403 4.061 5 20 IIBD CC(C)n1cc(Br)cc1C(=O)O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 759947199 WGZRCOWATCMOJW-UKRRQHHQSA-N 425.283 4.277 5 20 IIBD CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cccc([N+](=O)[O-])c1Br 760850244 NZNYXMWPXCBZQF-LBPRGKRZSA-N 444.326 4.171 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Oc1c(F)c(F)cc(F)c1F 762636806 UIVARWDOJNNJMI-UHFFFAOYSA-N 433.335 4.026 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2c(Cl)cc(F)cc2Cl)c([N+](=O)[O-])c1 763544034 KYRVXFJCOPEDIG-QMMMGPOBSA-N 431.203 4.233 5 20 IIBD CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 763874160 BKBOFNQNCXOPOK-HZPDHXFCSA-N 436.468 4.478 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCc2c(-c3ccccc3)cccc21 766680462 OLOJGQCAUMSGEE-UHFFFAOYSA-N 429.476 4.301 5 20 IIBD C[C@H](OC(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 766774504 CHTLMXVCRJYNPS-UWJYBYFXSA-N 442.777 4.339 5 20 IIBD COc1ccc(CN(c2ccncc2)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc1 768545392 CKGMBFVOSMHRSN-UHFFFAOYSA-N 447.900 4.356 5 20 IIBD CN(Cc1cccc(C(N)=O)c1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 768926778 NORVKVDQSFJYAB-UHFFFAOYSA-N 444.285 4.348 5 20 IIBD CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)cc1 770012675 FFDFPORNHRYHLA-CQSZACIVSA-N 448.907 4.426 5 20 IIBD Cc1c(C(=O)N[C@@H](C)[C@H](O)c2c(Cl)cccc2Cl)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 771728900 WKKHZDNUJRUXHZ-BTDLBPIBSA-N 442.255 4.279 5 20 IIBD CSc1cccc(C(=O)O[C@@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)c1[N+](=O)[O-] 777073608 JYYDSRWKHSNZBT-OLZOCXBDSA-N 428.466 4.486 5 20 IIBD CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781623427 RDHVUOXXRQWKPU-XMSQKQJNSA-N 427.457 4.062 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCc1cccc(COc2ccccc2)c1 781626654 KBARTFFMBMYGOS-UHFFFAOYSA-N 435.436 4.331 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N(CCNC(=O)OC(C)(C)C)Cc1ccccc1 782076002 XKYDAAKCRJAHRS-UHFFFAOYSA-N 444.488 4.162 5 20 IIBD Cn1nc(C(F)(F)F)c(C[S@@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1Cl 782189048 QZDXVZJLIFFKNX-LJAQVGFWSA-N 448.810 4.104 5 20 IIBD Cc1cc(COC(=O)c2cnn([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)ccc1[N+](=O)[O-] 784930080 ROROIEMWSXTEMG-GOSISDBHSA-N 444.488 4.029 5 20 IIBD C[C@@H](CN(C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)Oc1ccc(Cl)c(Cl)c1 787550102 KVKNYBVTPDUBOO-JTQLQIEISA-N 428.228 4.349 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)OC/C=C\c2ccc(Cl)cc2)cc1[N+](=O)[O-] 787563905 GLOVCIMRNRLEPM-IHWYPQMZSA-N 430.873 4.398 5 20 IIBD COc1ccc(C(=O)Nc2ccc(C(=O)OCc3ncc(C)c([N+](=O)[O-])c3C)s2)cc1 789441961 FXEFTHRSQFXWKE-UHFFFAOYSA-N 441.465 4.286 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1Oc1cc(C=O)c(Br)cc1OC 790262722 JNAAPWCDIDDKID-UHFFFAOYSA-N 444.621 4.411 5 20 IIBD CC(C)CCSc1ccc(C(=O)N(CCO)Cc2cccnc2Cl)cc1[N+](=O)[O-] 794327285 GLAUJEULUSYAFK-UHFFFAOYSA-N 437.949 4.416 5 20 IIBD COc1ccc(CSCC(=O)Oc2cccc(Oc3cnccn3)c2)cc1[N+](=O)[O-] 797023295 ZACKZSSDKQPKKM-UHFFFAOYSA-N 427.438 4.025 5 20 IIBD CCOC(=O)CN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(C)cc1 798731652 NJGGPKSCWJXBNW-UHFFFAOYSA-N 428.488 4.059 5 20 IIBD C[C@@H](NC(=O)CCc1ccccc1)C(=O)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 799323924 YAHWEFAQESSQFY-OAHLLOKOSA-N 429.904 4.129 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)O[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)c1F 803461957 CFCHZAKYTYPWIU-MRXNPFEDSA-N 436.439 4.493 5 20 IIBD O=C(COC(=O)c1cc(F)c(C(F)(F)F)cc1F)Nc1ccc(Cl)cc1[N+](=O)[O-] 805595004 VRHAIVHBSQSRLC-UHFFFAOYSA-N 438.692 4.341 5 20 IIBD CSCC[C@@H](NC(=O)c1ccco1)C(=O)OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811031298 YKJQQTAFUJWWCV-CYBMUJFWSA-N 447.296 4.090 5 20 IIBD O=C(Cc1cccc(N2CCCC2=O)c1)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811217621 ZQHBQUHUZBIICT-UHFFFAOYSA-N 437.477 4.131 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 813245374 AMFSJRSXLDQDFW-SFQUDFHCSA-N 436.815 4.132 5 20 IIBD Cc1c(C(=O)N2CCC[C@@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cccc1[N+](=O)[O-] 814427997 IROLBLDLTVFMCY-MSOLQXFVSA-N 431.533 4.403 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1ccc(C(F)(F)F)nc1Cl 817863197 XDANGNAVOAHHFZ-VIFPVBQESA-N 449.838 4.237 5 20 IIBD C[C@@H](OC(=O)c1ccccc1NC(=O)c1cccs1)C(=O)Nc1cccc([N+](=O)[O-])c1 875256985 OQDOBMMCKMSMIV-CYBMUJFWSA-N 439.449 4.093 5 20 IIBD Cc1c(C(=O)NCc2ccccc2-c2ccc(CN(C)C)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 881444888 UHBQWMQSMOHVEN-UHFFFAOYSA-N 448.479 4.470 5 20 IIBD Cc1ccc(C(=O)OCC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] 918844714 LCEGBVZRSFCBLP-JOCHJYFZSA-N 430.460 4.234 5 20 IIBD C[C@@H](OC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl 919195570 HLDUWJCWPIIYBE-SNVBAGLBSA-N 446.765 4.373 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(c1ncc(C3CC3)c(N3Cc4ccc([N+](=O)[O-])cc4C3)n1)C2 1253872055 OIGVWZRVPFGFRI-UHFFFAOYSA-N 444.451 4.211 5 20 IIBD Cc1nnc(O)c(CNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])c1C 1320283411 GLFUSOZPBSEBRI-UHFFFAOYSA-N 444.900 4.442 5 20 IIBD C[C@H](OC(=O)CCOc1cc(Cl)ccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1 1321918514 QFDOMVXUUORLKQ-NSHDSACASA-N 427.240 4.241 5 20 IIBD O=C(c1ccccc1OC(F)F)N1CCC[C@@H]1c1nnc(-c2cccc([N+](=O)[O-])c2)o1 1328156868 KSIDOROIDGZBDH-OAHLLOKOSA-N 430.367 4.224 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1cc(C)c(OCC(F)(F)F)c(C)c1 1337629964 YHZXLEVVKXBHLZ-UHFFFAOYSA-N 425.407 4.467 5 20 IIBD Cn1c(COc2ccccc2)nnc1SCc1ccc([N+](=O)[O-])cc1Br 1338302012 LXYNMDZWAVGPTP-UHFFFAOYSA-N 435.303 4.357 5 20 IIBD O=C(N[C@H](Cc1nnc(COc2ccccc2[N+](=O)[O-])o1)c1ccccc1)c1ccccc1 1345739732 IJJDMBUTVULKDE-LJQANCHMSA-N 444.447 4.271 5 20 IIBD COc1cc(C(=O)NCc2c(C)n[nH]c2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 1521688296 HYWAZESHVCRAFY-UHFFFAOYSA-N 430.848 4.319 5 20 IIBD CCC1(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccccc4[N+](=O)[O-])cc3)CCC2)COC1 1792317596 YAEWFQCAMXCIEL-MDWZMJQESA-N 449.507 4.169 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)c1ccccc1 1793965540 OCVFHDTYKJYILR-DLRJPAPCSA-N 443.450 4.005 5 20 IIBD Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(F)cc2)C3)cc(Cl)cc1[N+](=O)[O-] 1800711852 YUAAKRRPPQEYKF-BCDXTJNWSA-N 445.878 4.261 5 20 IIBD C[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1)c1cccs1 1823618236 RGDOFGSJMRZOMB-DOTOQJQBSA-N 445.541 4.286 5 20 IIBD CC(C)(C)CCCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=C/c1ccc([N+](=O)[O-])o1 1847654305 UWFWEOSCULXZCY-FQPQFXKESA-N 431.533 4.399 5 20 IIBD Cc1cc(C)n(-c2ccc(C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2)n1 8711148 WLNQGEPQOFILRV-CQSZACIVSA-N 442.859 4.235 5 20 IIBD CSc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1[N+](=O)[O-] 9620563 USNKHQUUNVNKFQ-SECBINFHSA-N 439.833 4.062 5 20 IIBD C[C@@H](OC(=O)COc1ccc2ccccc2c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 10592556 FVIZIMDSMHHENC-CYBMUJFWSA-N 428.828 4.351 5 20 IIBD Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)c2cccc([N+](=O)[O-])c2)c(C)c1 14735644 CNYLUYOEXDWSKY-UHFFFAOYSA-N 439.493 4.046 5 20 IIBD CCC[C@@H](C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1 14826596 JXWPYBOBUQPNEC-QGZVFWFLSA-N 445.522 4.407 5 20 IIBD CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)ccc21 16125129 PVRXDRJSQUEHNK-AWEZNQCLSA-N 438.480 4.230 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3ccccc3F)o2)c([N+](=O)[O-])c1 18600972 QSFRBNOSPLNDIW-GFCCVEGCSA-N 428.372 4.187 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)OCc2cc(=O)oc3cc(CC)ccc23)cc1OC 18969227 MGMNQDAGEFTEHZ-UHFFFAOYSA-N 427.409 4.028 5 20 IIBD COc1ccc(Cl)cc1NC(=O)CSc1nc2cc3ccccc3cc2c(=O)n1C 22252996 VOKVFPDBILPKDL-UHFFFAOYSA-N 439.924 4.480 5 20 IIBD CCS(=O)(=O)c1ccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1 23113863 KDRPRSFLWYREHE-UHFFFAOYSA-N 425.466 4.384 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nc(C2CC2)n(-c2ccccc2)n1 23590293 FLNDTSVWEUTQAU-ZDUSSCGKSA-N 439.497 4.181 5 20 IIBD C[C@H](c1cccs1)N(C)C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 24234645 XOQDPJRKLXFTME-CQSZACIVSA-N 446.506 4.257 5 20 IIBD C[C@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)N[C@@H]1CCOc2ccccc21 26580933 KAUPDHXMDSMPFN-MGPUTAFESA-N 445.544 4.207 5 20 IIBD COc1ccc(C(C)(C)C)cc1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 26766645 LDELYBOWRNXPDG-UHFFFAOYSA-N 427.457 4.228 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]1c1nc2ccccc2s1 26921340 PKGGPYPGQCNMKX-QGZVFWFLSA-N 426.498 4.379 5 20 IIBD Cc1csc(Sc2ccc(C(=O)OCC(=O)Nc3cccc(F)c3)cc2[N+](=O)[O-])n1 28807975 YCUJIPCTPQQMAH-UHFFFAOYSA-N 447.469 4.446 5 20 IIBD Cc1cc2nc(C)c(CCC(=O)N(Cc3ccccc3[N+](=O)[O-])CC(F)(F)F)c(C)n2n1 59253323 GMDPWLKVTSUCCL-UHFFFAOYSA-N 449.433 4.086 5 20 IIBD O=C(CN1CCC(C(=O)c2ccc(Cl)cc2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] 60483662 QLMSZWLVZASFJF-UHFFFAOYSA-N 436.295 4.435 5 20 IIBD COc1ccc(CNCc2ccc3c(c2)OCCO3)cc1OCc1ccc([N+](=O)[O-])cc1 61013292 PEGISLODFMFYRU-UHFFFAOYSA-N 436.464 4.243 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1 64271100 DHDWFTAFVNNVAD-UHFFFAOYSA-N 439.855 4.338 5 20 IIBD COc1ccc(Br)cc1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 64418715 NMRQRBJHEVBVSN-SNVBAGLBSA-N 443.681 4.103 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCC(C2OCCO2)CC1 110130182 AILIJIKRBIKQOI-UHFFFAOYSA-N 432.860 4.266 5 20 IIBD C[C@H]1CN(c2ccc(CNCc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)cn2)CCO1 110468621 BNNOIKXRSNLPTO-HNNXBMFYSA-N 442.903 4.418 5 20 IIBD COc1ccc(CN[C@@H](C)C(=O)N2CCCC[C@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 237256149 GRQNKWHLOFYVSC-MSOLQXFVSA-N 441.528 4.062 5 20 IIBD Cc1cccc([C@H]2CCCN2c2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])n1 301715279 MNENBVSDSXWLGM-HXUWFJFHSA-N 438.509 4.441 5 20 IIBD C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCCN(C2CCC2)C1 426189108 YEDTWCLLAMRAQB-HIFRSBDPSA-N 428.455 4.066 5 20 IIBD CC[C@]1(CO)CCCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 428515939 LBSRWMPYBYSMDP-VWLOTQADSA-N 448.523 4.001 5 20 IIBD CCCc1c(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 429332067 GLPFYMKULCYUQR-UHFFFAOYSA-N 428.420 4.142 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@H](OCCCc2ccccc2)C1 430440917 MZAKIOVBQMPLPF-KRWDZBQOSA-N 433.302 4.221 5 20 IIBD Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] 432837537 ULMGFBLUSUGBJW-UHFFFAOYSA-N 442.541 4.149 5 20 IIBD O=C(O)c1csc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)c1 435140229 ZEUQQOWUFXCEIB-UHFFFAOYSA-N 442.521 4.368 5 20 IIBD O=[N+]([O-])c1ccc([C@@H]2SCCN2S(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc1 435437287 JZZJPCHJOFTAEO-HNNXBMFYSA-N 437.301 4.477 5 20 IIBD CCc1ccc([C@H](NC2CCN(C(=O)c3ccccc3O)CC2)c2ccc([N+](=O)[O-])cc2)o1 436856688 NDEVHEBQDONYMQ-XMMPIXPASA-N 449.507 4.440 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)c1C 437170947 YVIMWIOIJMLTCM-UHFFFAOYSA-N 438.918 4.108 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N3CCC4(CCOCC4)C3)c([N+](=O)[O-])c2)c(C)c1 439702832 OTQZHBUSGGXHJU-UHFFFAOYSA-N 445.541 4.019 5 20 IIBD O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444029582 IZPRBPLQTOVUMV-MRXNPFEDSA-N 433.458 4.358 5 20 IIBD O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444029886 JKOSNYMDXRYXQD-IBGZPJMESA-N 447.485 4.354 5 20 IIBD Cc1ccc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc1C(=O)N(C)C 444232620 RGDJFPGWCZUUKV-UHFFFAOYSA-N 435.430 4.222 5 20 IIBD Cc1cc(C(=O)CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(C)n1-c1nccs1 444272524 XSEJDMHNBGBBRV-UHFFFAOYSA-N 440.525 4.185 5 20 IIBD Cn1cc(CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)c2ccc(Cl)cc21 444439341 PZNALQVSGHDSIU-UHFFFAOYSA-N 436.693 4.475 5 20 IIBD COc1ccc([C@H]2NC(=O)N(c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)C2=O)cc1F 445982917 XDLTWIZOQHCZAN-HXUWFJFHSA-N 437.383 4.332 5 20 IIBD COc1ccc(NC(=O)N(C)[C@@H]2CCOc3ccc(Br)cc32)cc1[N+](=O)[O-] 446281864 DKSGKNHPSNDUQK-CQSZACIVSA-N 436.262 4.353 5 20 IIBD C[C@@H](Sc1ccc(Br)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCOc2ccccc21 447350692 UASLRMPURJCQJF-BXUZGUMPSA-N 437.315 4.478 5 20 IIBD O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2ccc(Cn3cnc4ccccc43)cc2)n1 447527681 GSNWHVTZAPFNHQ-GMAHTHKFSA-N 430.512 4.463 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCc1cc(Oc2ccc(F)cc2)ccn1 447802142 HQNPJODMJBQTIK-UHFFFAOYSA-N 438.459 4.366 5 20 IIBD CCOc1cc2c(cc1OCC)CN(c1nnc(-c3cccc([N+](=O)[O-])c3)n1CC)CC2 460241751 XMUFJQNJGMUSEB-UHFFFAOYSA-N 437.500 4.233 5 20 IIBD CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 460627324 FCYQRJIPWNSKTB-MKTHODDLSA-N 441.557 4.444 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(-n3nc(C)cc3C)cc2)cc1OC 461576589 ZFBZUTJYAZBJGD-MRXNPFEDSA-N 438.484 4.296 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCCN(c2ncnc3sccc23)C1 463139505 HNPIAQSHRSWPOT-KRWDZBQOSA-N 439.541 4.253 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C 463958183 NGCOFDIFCKXMHD-UHFFFAOYSA-N 449.305 4.433 5 20 IIBD C[C@H]1[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CC[S@]1=O 466436782 QMTZSTXTYKQYJZ-UFEGIJMPSA-N 438.958 4.381 5 20 IIBD C[C@@H]1CCC[C@@H](n2c(SCCn3cc([N+](=O)[O-])cn3)nc3ccccc3c2=O)[C@@H]1C 470849924 XLLAFASCXZXIGT-SPYBWZPUSA-N 427.530 4.291 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(C)nn1[C@@H]1CCN(Cc2ccccc2)C1 471050886 ACZKWFNSQGOJRN-LJQANCHMSA-N 449.511 4.198 5 20 IIBD C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1nc(-c2ccc(Br)cc2)no1 472602302 PXYMYJJFRWTPMH-VIFPVBQESA-N 435.209 4.037 5 20 IIBD COc1cc(C(=O)N[C@@H](C)c2ccc(Cl)cn2)c([N+](=O)[O-])cc1OCc1cscn1 473161496 CJCSENQBHQAJBQ-NSHDSACASA-N 448.888 4.178 5 20 IIBD CCOc1cc(C(=O)Nc2cc(Br)c(F)cc2C)c([N+](=O)[O-])cc1OC 475751144 SQJKHNJFEGJPQY-UHFFFAOYSA-N 427.226 4.464 5 20 IIBD O=C(NCc1c(F)cccc1OC(F)F)c1sc(Br)cc1[N+](=O)[O-] 477343542 VPZPMHJTEBJWQQ-UHFFFAOYSA-N 425.182 4.089 5 20 IIBD O=c1c(Br)cn(Cc2csc(Cc3ccc(Cl)cc3)n2)cc1[N+](=O)[O-] 477407618 UIPXUTXWBBFLAQ-UHFFFAOYSA-N 440.706 4.268 5 20 IIBD CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1Br 478198493 DETWZPACAITDON-QGZVFWFLSA-N 449.301 4.040 5 20 IIBD COC(=O)[C@](C)(NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)c(Cl)c1 479264963 GQFHRDJPTJGLEA-APBUJDDRSA-N 443.258 4.349 5 20 IIBD CC(C)(C)OC(=O)CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ccc2c(c1)OCO2 480002838 BURKRWLOHAOQCU-UHFFFAOYSA-N 440.408 4.058 5 20 IIBD CCOc1cc(C(=O)N(C)Cc2ccc(F)cc2Br)c([N+](=O)[O-])cc1OC 481696340 PIIJEFIQLVOOLI-UHFFFAOYSA-N 441.253 4.176 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(OC(F)(F)F)cc1 481909194 YAGXJDLNKLQCBM-UHFFFAOYSA-N 430.404 4.162 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(Cc2cccc(F)c2)C[C@@H]2CCCO2)cc1SC 483607059 MBIPQTIDOZONDK-INIZCTEOSA-N 434.489 4.286 5 20 IIBD COCCN(Cc1sccc1Br)C(=O)Nc1cc([N+](=O)[O-])ccc1C 483625733 ZZBZUUNYDNGJCF-UHFFFAOYSA-N 428.308 4.408 5 20 IIBD Cc1cc(C[C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)n(-c2ccccc2)n1 484669700 OFCKBGHAQYRUBC-ZDUSSCGKSA-N 432.402 4.469 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 486130780 BUAGCMGATMFOAV-UHFFFAOYSA-N 431.489 4.337 5 20 IIBD Cc1cc(C)c(NC(=O)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1Br 486234239 YKYRLFPSTKIKTB-CYBMUJFWSA-N 434.290 4.098 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C(C)(C)c1ccccc1 487012542 ONKMXDHKFGKWAS-HNNXBMFYSA-N 430.526 4.346 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2CCC[C@@H](N(C)C)C2)cc1[N+](=O)[O-] 487407520 AHRMEGGHLJSQEK-IAGOWNOFSA-N 441.553 4.150 5 20 IIBD CC(=O)N[C@H](CC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(Br)cc1 488086995 FKYGEZMYXGLWBW-SCLBCKFNSA-N 448.317 4.110 5 20 IIBD C[C@@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccncc2)cs1 488224283 VJJKRRZAISMTAC-CYBMUJFWSA-N 434.481 4.005 5 20 IIBD C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1c1nc(O)c2cc([N+](=O)[O-])ccc2n1 488478950 NNZHYHCTKJZZGV-PIGZYNQJSA-N 434.374 4.229 5 20 IIBD Cc1ccc([C@@H](CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)N2CCCC2)cc1 489625413 RREUBKKZTFGIAR-XMMPIXPASA-N 436.556 4.073 5 20 IIBD Cc1c(C(=O)Nc2cnn(CCC(C)C)c2C(C)C)nnn1-c1cccc([N+](=O)[O-])c1 490534818 MUGLNQXASYBHOU-UHFFFAOYSA-N 425.493 4.102 5 20 IIBD O=C(NC1CC1)c1cc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)ccc1Cl 494197504 FXKYVIYVAAWLNE-UHFFFAOYSA-N 428.876 4.337 5 20 IIBD C[C@@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1nc(-c2cccc(F)c2)no1 494395245 XEGIFZHHBDOCFZ-CYBMUJFWSA-N 425.420 4.219 5 20 IIBD COCCN(C(=O)[C@@H](C)Oc1ccccc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 498656434 LSQXOFAPSWAMLZ-CQSZACIVSA-N 445.472 4.304 5 20 IIBD O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 498904759 UDVJOUPDYOBJSD-LJQANCHMSA-N 446.511 4.222 5 20 IIBD CCOc1cc(C(=O)Nc2ccccc2Sc2nccn2C)c([N+](=O)[O-])cc1OC 499215828 FUFRZWWDLBXEOY-UHFFFAOYSA-N 428.470 4.139 5 20 IIBD CCOc1cc(C(=O)Nc2cccc3oc(C(F)(F)F)nc23)c([N+](=O)[O-])cc1OC 499540905 LYTSOBJRNPRVPJ-UHFFFAOYSA-N 425.319 4.414 5 20 IIBD COCCSc1ccc([C@H](C)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 504710421 BGWSBHINJIBOPI-INIZCTEOSA-N 429.542 4.425 5 20 IIBD CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1ccc(S(=O)(=O)N2CCCC2)cc1 504899318 DUPBLQZUILBSON-SFHVURJKSA-N 449.598 4.040 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])NCc1cc(Br)ccc1OC(F)F 504916906 CMPQYWJOCLWPSE-UHFFFAOYSA-N 447.257 4.367 5 20 IIBD CCOc1ccccc1[C@H](CC)Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 507028211 TYDPZJPUDLXNCG-SFHVURJKSA-N 433.530 4.341 5 20 IIBD O=C(CC[S@@](=O)Cc1coc(-c2ccc(Cl)cc2)n1)Nc1ccccc1[N+](=O)[O-] 507702904 ASNYCOPHIJWBGB-GDLZYMKVSA-N 433.873 4.181 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(Br)c2COC)cc1OC 509184321 LHOKJMDZMLQUCK-UHFFFAOYSA-N 439.262 4.163 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1ccc(OCC(F)(F)F)cc1 511094495 HIGVORAPJQRAPK-UHFFFAOYSA-N 425.407 4.305 5 20 IIBD CCN(CC)C(=O)N1CCC(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)CC1 512307782 BTNODRPQNLHIID-UHFFFAOYSA-N 445.545 4.139 5 20 IIBD COc1cc(C(=O)N[C@@H](C)c2nc(C)no2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 512661665 SCBCBNMXRRQUFE-JTQLQIEISA-N 432.820 4.232 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 515096696 UGUYGJIVJXXTNG-CQSZACIVSA-N 441.390 4.341 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCCc2cc(Br)ccc21 515730206 AHBUXHQVMNAVFY-UHFFFAOYSA-N 427.258 4.136 5 20 IIBD Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)c12 518828482 COWNISAYAAPLGM-UHFFFAOYSA-N 437.500 4.089 5 20 IIBD O=C(N[C@H]1CCN(CC(F)(F)F)C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 520311124 IITSCDPFESENIQ-ZDUSSCGKSA-N 425.432 4.112 5 20 IIBD CC(C)CC(=O)Nc1cccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 520399373 VXRMBIQOZCRFNU-CQSZACIVSA-N 433.892 4.317 5 20 IIBD O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 520698279 SUASPSZEWZALOF-ROUUACIJSA-N 442.365 4.325 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](c1ccc(CC(C)C)cc1)C1CC1 522494500 RMRPVBGEKKOGAS-NRFANRHFSA-N 425.485 4.008 5 20 IIBD COC(=O)c1cc(C(=O)NCc2ccc(OC(C)C)cc2C(F)(F)F)cc([N+](=O)[O-])c1 522567195 MNHUKYKQKRJXFY-UHFFFAOYSA-N 440.374 4.117 5 20 IIBD CC(C)Oc1ccc(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c(C(F)(F)F)c1 522622225 COAVKPBVGXRMFU-UHFFFAOYSA-N 432.420 4.020 5 20 IIBD CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc([N+](=O)[O-])c(OC)c1 523384441 LORDMAYDMAVFQY-UHFFFAOYSA-N 430.848 4.359 5 20 IIBD CC(C)n1cc([C@@H](C)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])cn1 523656891 NRFQOEPKPODELD-OAHLLOKOSA-N 429.502 4.346 5 20 IIBD CN(Cc1ccc(Br)s1)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 523882889 ZQTVJQRXQOYDCA-UHFFFAOYSA-N 433.711 4.500 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1cc(Br)ccc1OC 525003593 MDQLZMCNSAFEIX-SNVBAGLBSA-N 441.303 4.494 5 20 IIBD O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 525099547 LTVDZVVXZOVGGN-UHFFFAOYSA-N 436.295 4.321 5 20 IIBD COc1ccc(Br)c(CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1 525354205 FDJBECROGZAQQI-UHFFFAOYSA-N 436.306 4.188 5 20 IIBD C[C@@H](NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)c1ccc(OCc2cccnc2)cc1 527036225 QJFCQRVGJLSLPN-QGZVFWFLSA-N 448.479 4.103 5 20 IIBD CCN(CCCN(C)C)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 530345763 PIFGUZYZDWDUHM-UHFFFAOYSA-N 435.908 4.463 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CNc3cccc(F)c3I)n2)cc1 536200564 ATPIUWUCNVEYSJ-UHFFFAOYSA-N 440.172 4.001 5 20 IIBD CCn1cc(S(=O)(=O)N(Cc2cccc3ccccc23)c2ccccc2)c([N+](=O)[O-])n1 537348357 BQJRYLAKQDMWIA-UHFFFAOYSA-N 436.493 4.360 5 20 IIBD CCc1ccc([C@H](NCc2ccccc2CS(C)(=O)=O)c2ccc([N+](=O)[O-])cc2)o1 541565211 CQZHXJXFRDIZTQ-JOCHJYFZSA-N 428.510 4.174 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 542590568 LVWXAFQZBHNECI-CQSZACIVSA-N 431.539 4.151 5 20 IIBD O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 543184435 WSGYVGJVNAGVDO-BBRMVZONSA-N 438.324 4.247 5 20 IIBD Cc1c(Br)cc(-c2nc(-c3ccc(N4CCOCC4)cc3)no2)cc1[N+](=O)[O-] 544916064 XOODAQCFUXJPER-UHFFFAOYSA-N 445.273 4.219 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(c2nc([C@@H](C)C(C)(C)C)no2)CC1 545713734 CNDAYPXTRZQXKK-CQSZACIVSA-N 436.534 4.004 5 20 IIBD COc1cc(Cc2noc(Cc3csc(-n4c(C)ccc4C)n3)n2)ccc1[N+](=O)[O-] 545779462 CXMTUTSWIWVMLE-UHFFFAOYSA-N 425.470 4.032 5 20 IIBD COc1cc(OCC(=O)N2CC=C(c3cccc(Br)c3)CC2)ccc1[N+](=O)[O-] 547235362 ZXOKPTHUTPNNFG-UHFFFAOYSA-N 447.285 4.061 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 550676912 NGEQVLWRXSLPLA-WMLDXEAASA-N 446.345 4.449 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 557613115 GDOSXKNDCVCGLJ-QFIPXVFZSA-N 445.972 4.465 5 20 IIBD O=C(NCc1cc(F)c(C(F)(F)F)cc1F)C1CCN(c2ccccc2[N+](=O)[O-])CC1 557977371 UCNUCPMNDMGOCP-UHFFFAOYSA-N 443.372 4.425 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[C@@H](Sc2cccc(Cl)c2)C1 558118046 WNLFFIVIDUCCRF-LJQANCHMSA-N 428.901 4.441 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC(C(F)(F)F)CC3)n2C[C@H]2CCCCO2)c1 559216681 VWUSAKKCLUTSRJ-QGZVFWFLSA-N 439.438 4.201 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CN(Cc2cccnc2)Cc2ccco2)c1 562036970 SBZOFSFQOPKARM-UHFFFAOYSA-N 449.248 4.390 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1c(Cl)cccc1-n1ccnc1 563698506 OJROKAMVOXDTIW-UHFFFAOYSA-N 437.308 4.496 5 20 IIBD O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 564414662 VXWSKQUKNAODRB-UHFFFAOYSA-N 438.484 4.038 5 20 IIBD O=[N+]([O-])c1ccccc1CN(c1nnc(-c2cccnc2)n1Cc1ccccc1)C1CC1 571849064 JKMIETFDMANCOQ-UHFFFAOYSA-N 426.480 4.466 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](c1cccc(F)c1)C1CCCC1 579633264 CPIUOGOZFGJDHD-HXUWFJFHSA-N 447.894 4.094 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H](C(N)=O)c1cccc(Br)c1 582010478 HLSVUONUOCUBHS-OAHLLOKOSA-N 446.223 4.035 5 20 IIBD COc1cc(Cc2noc([C@@H]3C[C@@H]3c3cc(F)c(F)c(F)c3)n2)c([N+](=O)[O-])c(OC)c1 582991415 OKHKVTUNWZRKRW-CHWSQXEVSA-N 435.358 4.274 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 583286839 IAYYQNUDYOKFBE-SQNIBIBYSA-N 431.286 4.002 5 20 IIBD COC(=O)c1cc(NC(=O)c2nc3ccccc3cc2Br)c(C)c([N+](=O)[O-])c1 588928025 ZBABHRIEDVMZHJ-UHFFFAOYSA-N 444.241 4.253 5 20 IIBD O=[N+]([O-])c1cc(CNCc2c(Cl)cccc2N2CCOCC2)cc(C(F)(F)F)c1 590188264 GYGZTAAWKNTJGT-UHFFFAOYSA-N 429.826 4.393 5 20 IIBD O=C(NCCc1cnc(SC2CCCC2)nc1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 590525553 MPGDHAVAVLFEGR-UHFFFAOYSA-N 449.536 4.454 5 20 IIBD CSc1ccc(-c2csc(NC(=O)[C@@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 603451642 SCGLUMZPDUWPQU-GFCCVEGCSA-N 442.522 4.197 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(OCC(=O)N[C@@H](c2ccccc2)C2CCCCC2)c1 603913710 QAXSXNNRZFKGBP-QFIPXVFZSA-N 426.469 4.198 5 20 IIBD CCCCc1c(C)nc2nc(SCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])nn2c1C 603917906 MDACAHCBTQYWSP-UHFFFAOYSA-N 448.936 4.376 5 20 IIBD Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 604452366 SPNBDNIYLVXHQS-UHFFFAOYSA-N 433.468 4.014 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(OC)nc2OC)cc1 604471116 GODYMCVQLOUOCJ-UHFFFAOYSA-N 425.397 4.060 5 20 IIBD CCn1cc(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)cn1 609637809 ITQNQBOTEKZYQS-UHFFFAOYSA-N 430.848 4.196 5 20 IIBD COc1ccc([C@H]2CCCN2C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])c(OC)c1 610102075 BCQOGBPOUJOKPR-HXUWFJFHSA-N 442.516 4.269 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 610614306 LMLAQAKRDQEKQD-SZEHBUNVSA-N 433.736 4.248 5 20 IIBD O=C(N[C@H]1CCN(C2CCCCC2)C1=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611207296 BEZSZDIQSURKTP-IBGZPJMESA-N 431.558 4.293 5 20 IIBD O=C(c1cc(C(=O)N2CC[C@H](c3ccco3)C2)cc([N+](=O)[O-])c1)N1CC[C@H](c2ccco2)C1 613130725 CMYXFSPTXJMJKB-IRXDYDNUSA-N 449.463 4.040 5 20 IIBD COc1ccc(CC[C@H]2CCCCN2C(=O)COc2ccc([N+](=O)[O-])c(F)c2)cc1OC 726150420 MIYYKPVXWIMIIG-QGZVFWFLSA-N 446.475 4.144 5 20 IIBD Cc1nc(-c2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)co1 726501048 ADGDTBHDZXOEHR-OAQYLSRUSA-N 434.452 4.110 5 20 IIBD CC[C@H](NC(=O)c1ccc(I)c([N+](=O)[O-])c1)c1ccc(OC)cc1 727747987 CNWWWPJOQXDZIP-HNNXBMFYSA-N 440.237 4.089 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)C23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)c([N+](=O)[O-])c1 729402466 QALXSWUUODMZHE-QGOOBGLHSA-N 430.501 4.470 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCc3cc(Cl)cc(F)c32)cc1Br 731596498 MMKXVEAWCBPWCX-UHFFFAOYSA-N 449.685 4.291 5 20 IIBD O=C(O[C@@H]1CCN(c2ccccc2Cl)C1=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 732331841 AMOBLXFPQHRAKJ-QGZVFWFLSA-N 443.868 4.334 5 20 IIBD Cc1ccc(C[C@@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)cc1 733320015 ZPJMWIICYCMQHX-HNNXBMFYSA-N 439.331 4.062 5 20 IIBD COC(=O)[C@](C)(NCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(Br)c1 734839421 YRDGYIACZPNQKU-QGZVFWFLSA-N 427.682 4.189 5 20 IIBD O=Cc1ccc(OCC(=O)Nc2cccc(Cl)c2SCC(F)F)c([N+](=O)[O-])c1 736575052 QJJXZTWCPRRQGH-UHFFFAOYSA-N 430.816 4.435 5 20 IIBD CC1(C)[C@@H]2OCC[C@H]2[C@H]1OC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 739369324 YPPZBEQJXMMLJF-AGILITTLSA-N 447.491 4.347 5 20 IIBD COc1cc(N2CCC(OC(=O)Cc3ccc(-n4cccc4)cc3)CC2)ccc1[N+](=O)[O-] 739386568 XXXKAHOZVSPWGL-UHFFFAOYSA-N 435.480 4.149 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1CC(=O)OCc1ccc([N+](=O)[O-])cc1Br 739579863 MVSGYUMLYZDTKU-UHFFFAOYSA-N 444.285 4.446 5 20 IIBD Cc1ccc([C@H](C)C(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)o1 742471505 RODQUFXDPSYCOO-HNNXBMFYSA-N 443.481 4.348 5 20 IIBD COc1cc(OCC(=O)Nc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)ccc1[N+](=O)[O-] 742888769 YYIYWGZDTCWGMF-CQSZACIVSA-N 445.472 4.207 5 20 IIBD CCc1ccc(N2CCN(C(=O)Cn3c4ccccc4c(=O)c4ccccc43)CC2)cc1 742904419 BBFQDULMPYJHAD-UHFFFAOYSA-N 425.532 4.066 5 20 IIBD O=C(OCc1ccccc1)N1CCO[C@H](c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 743052807 OXLIYPOVAPNBPQ-IBGZPJMESA-N 425.466 4.428 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H]1CCCN(c2ccccc2Cl)C1=O 744498908 ZTBQPZRAQCMNMR-SCLBCKFNSA-N 434.901 4.468 5 20 IIBD CCN(CC1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1)C(=O)OC(C)(C)C 744707636 IXQUITLNSHJKFP-UHFFFAOYSA-N 437.562 4.426 5 20 IIBD Cc1sc(NC(=O)C(C)C)c(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1C 744937967 UEVXXCOZATZXOB-LBPRGKRZSA-N 433.486 4.052 5 20 IIBD Cc1cccc(C)c1NCC(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 745297270 IJXOJUHBMUBXKJ-CYBMUJFWSA-N 439.390 4.213 5 20 IIBD Cc1nc(-c2cccc(C(=O)OCCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)c2)cs1 745678007 VTBBQPRBILSYAO-UHFFFAOYSA-N 439.449 4.182 5 20 IIBD O=C(OCc1ccccc1)N1CCC(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 746932891 MSJUEKBPXZFBAA-UHFFFAOYSA-N 437.496 4.135 5 20 IIBD C[C@H](NC(=O)OCc1ccccc1)C(=O)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 747304849 PKLKOWJXZAHBOM-AWEZNQCLSA-N 431.876 4.306 5 20 IIBD CC(C)N(CC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1)Cc1ccc([N+](=O)[O-])cc1 747447336 IFNIBCMONXQSOG-RTBURBONSA-N 440.544 4.058 5 20 IIBD O=C(OCCn1ccc([N+](=O)[O-])n1)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2 748103392 HWRRAUCNATZZLG-PFONDFGASA-N 430.420 4.276 5 20 IIBD CCc1ncsc1C(=O)O[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 750217356 OMDNGCWHXXGLCS-GOSISDBHSA-N 425.466 4.459 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Oc2cccc(NC(=O)c3ccco3)c2)cc1[N+](=O)[O-] 752250134 DDDXYTHRFOBHDK-UHFFFAOYSA-N 436.829 4.170 5 20 IIBD Cc1cc(C)c(S(=O)(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c32)cc1[N+](=O)[O-] 755019109 IUOXMFCCGDUQBQ-UHFFFAOYSA-N 447.513 4.310 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 755679568 OTVRHIUQWIABMN-VIFPVBQESA-N 446.765 4.460 5 20 IIBD Cc1noc(C)c1-c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 758251031 QFFPZIRYZCCVAK-UHFFFAOYSA-N 425.422 4.183 5 20 IIBD Cc1cc(F)cc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c1[N+](=O)[O-] 758465327 LCYRXZXQISNRNB-CQSZACIVSA-N 428.395 4.251 5 20 IIBD COc1ccc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)C(F)(F)F)cc1 759084887 AOXLRXOOTDXLHJ-CQSZACIVSA-N 433.180 4.399 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1cncc(F)c1 759426902 TWRALLZMUJRVHV-GOSISDBHSA-N 429.791 4.319 5 20 IIBD Cc1c(CCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2OCc2ccccc2)cnn1C 759768283 ASYZNAGDGIYCLJ-UHFFFAOYSA-N 428.876 4.440 5 20 IIBD Cc1ccc(OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c(I)n1 760315756 KSDONVLTEKSQGO-UHFFFAOYSA-N 437.193 4.137 5 20 IIBD COCCC1(C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCCC1 761453872 ZQBVCDDFCAVCIQ-CQSZACIVSA-N 447.513 4.185 5 20 IIBD CN1C(=O)C[C@H](COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[C@H]1c1cccc(Cl)c1 763016441 ZGIIXZSSEMHULQ-JLTOFOAXSA-N 448.878 4.428 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1SCCO)C(=O)C12CC3CC(CC(C3)C1)C2 763744386 LKIRCOAPSLQXPW-ZHHULCEESA-N 433.526 4.010 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](O)c1ccc(Cl)cc1Cl 764216768 WTDIKMHEVDHRRU-INIZCTEOSA-N 445.324 4.104 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccc(Cl)cc1Cl 766219062 GQQQLICYMACFOR-LLVKDONJSA-N 448.262 4.484 5 20 IIBD O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCc1cc2cc(Br)ccc2[nH]1 767212411 ALTRBHDXWMMYGM-UHFFFAOYSA-N 429.274 4.343 5 20 IIBD C[C@@H](OC(=O)c1ccc(Br)c(Cl)c1F)C(=O)Nc1cccc([N+](=O)[O-])c1 769517882 WZIHPAXIKAEFCW-MRVPVSSYSA-N 445.628 4.334 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1I)N(c1ccccn1)C1CCCC1 769723030 HVVAJJCUJNPKAG-UHFFFAOYSA-N 437.237 4.184 5 20 IIBD Cn1c(COC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1 770327776 VPCLEJWGUZVOLH-UHFFFAOYSA-N 441.875 4.001 5 20 IIBD COc1cccc(C)c1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 772496764 FVRXWPFUQMHBBY-UHFFFAOYSA-N 438.406 4.285 5 20 IIBD CCc1c(C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)nnn1-c1ccc(OC(C)C)cc1 774217999 KHKUYGZKSAQIML-UHFFFAOYSA-N 435.484 4.036 5 20 IIBD COc1cc([C@H]2NC(=O)c3sc4ccccc4c3N2)c([N+](=O)[O-])cc1OCC(F)F 778523784 DUZJMHCLVKRCBO-GOSISDBHSA-N 435.408 4.316 5 20 IIBD CC(C)(C)OC(=O)N1CCCCC[C@H]1c1noc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 779590449 MGUCSBGFVLLNKD-HNNXBMFYSA-N 433.421 4.405 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2cccc(SC(F)(F)F)c2)CC1 781327575 NIBSRSDNDZTTDI-UHFFFAOYSA-N 431.461 4.226 5 20 IIBD O=C(Nc1cccc(F)c1)c1cccc(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c1 781627099 ZRFRZUSMSNHKJC-NRFANRHFSA-N 448.410 4.118 5 20 IIBD COc1ccccc1[C@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 781633013 NUSPKBHOOQKOAL-HSZRJFAPSA-N 435.436 4.350 5 20 IIBD CC1CCN(c2ccc(C(=O)O[C@H](C)c3ccc(S(C)(=O)=O)cc3)cc2[N+](=O)[O-])CC1 781938775 IBJKMRMHSBXUJI-MRXNPFEDSA-N 446.525 4.153 5 20 IIBD CC[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br)C1CCCCC1 784698187 JULXYKFCMFNGMA-CQSZACIVSA-N 426.311 4.079 5 20 IIBD Cc1cnc(COC(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c(C)c1[N+](=O)[O-] 789441060 BKOHMSZKPFKSHK-KRWDZBQOSA-N 429.473 4.306 5 20 IIBD C[C@@H](NC(=O)COC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1ccccc1Cl 790746908 XMGKBNGORCNZHL-SNVBAGLBSA-N 429.231 4.004 5 20 IIBD O=C(CN[C@H](c1ccccc1)[C@@H](O)c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 794666168 BKELRZBCNSDTCE-YADHBBJMSA-N 425.872 4.251 5 20 IIBD CCC[C@H](Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)[C@@H](O)c1ccccc1 795207627 ONMPYYMWXWWEQA-PXNSSMCTSA-N 428.876 4.108 5 20 IIBD C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 796648173 HHDMTXLBBRNPKP-CLCXKQKWSA-N 430.505 4.373 5 20 IIBD C[C@@H](OC(=O)CCCC1CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 798736875 PHIFVWYBJBPVBL-GFCCVEGCSA-N 432.395 4.081 5 20 IIBD O=C(NC1CCCCC1)OC[C@@H]1CCCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 804875228 QJJBWLJUAGAPMS-IBGZPJMESA-N 447.535 4.345 5 20 IIBD COC1(CNC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCC(c2ccccc2)CC1 805226740 LDNJUFQDDIQOKY-UHFFFAOYSA-N 441.484 4.295 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCC([C@H](F)c2ccccc2F)CC1 807299891 USCCRKCFUXGSLI-SFHVURJKSA-N 437.830 4.275 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)c(Cl)cc1Cl 809827889 CXIYMXKUNRIPLQ-WBMJQRKESA-N 445.324 4.348 5 20 IIBD CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)cc1 809916286 YQTNTXBITYNZHH-AWEZNQCLSA-N 448.907 4.426 5 20 IIBD CCOc1ccc([C@@H](O)C2CCN(C(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)CC2)cc1 812675280 DMPMURSWNBWCCE-KSFYIVLOSA-N 444.553 4.446 5 20 IIBD CCOc1ccc([C@@H](O)C2CCN(C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)CC2)cc1 812680565 ZMXPSTLNMYYDER-HXUWFJFHSA-N 434.439 4.058 5 20 IIBD C[C@H](OC(=O)c1nn(-c2ccccc2)c2c1CCC2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 812858629 BPYRGHBSBLSKMY-AWEZNQCLSA-N 445.435 4.237 5 20 IIBD Cc1nc(C(C)C)oc1C(=O)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 814327435 LPMOUYLTELZDCX-QGZVFWFLSA-N 429.473 4.256 5 20 IIBD CC(=O)Nc1ccc(NC(=O)COc2cccc(Cl)c2[N+](=O)[O-])c(C(F)(F)F)c1 814775267 IPVPMKWLXUMYGS-UHFFFAOYSA-N 431.754 4.243 5 20 IIBD O=C(COc1ccc(Cl)c(F)c1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 816604099 XVSPSGWDHJNSPJ-UHFFFAOYSA-N 443.656 4.114 5 20 IIBD C[C@H](OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(=O)Nc1ccc(C(C)(C)C)cc1 849194242 GURDBFCLPVMVDQ-HNNXBMFYSA-N 436.468 4.262 5 20 IIBD C[C@H](OC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(Cl)ccc1F 856620141 BDOPXXBOGLHRTD-WDEREUQCSA-N 426.853 4.438 5 20 IIBD CNC(=O)c1ccc(Cl)c(NCc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])c1 863997846 LTXUCYWLHDFCGP-UHFFFAOYSA-N 447.797 4.170 5 20 IIBD CCN(C(=O)c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1)C1CCCC1 914504650 OLRPDXRLPQFCFW-UHFFFAOYSA-N 432.498 4.076 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)CSC(F)(F)F)c2ccccc2)c([N+](=O)[O-])c1 915441453 IKAVKVPUWPBJHH-INIZCTEOSA-N 428.388 4.379 5 20 IIBD O=[N+]([O-])c1cccc(-c2nccc(/C=C/c3cc(Cl)c4c(c3)OCCCO4)[n+]2[O-])c1 915987360 BSFOCKXSKVPXDE-AATRIKPKSA-N 425.828 4.275 5 20 IIBD CCOC(=O)c1c(C)oc2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)cc12 917876034 MZDKKJIUAOOAFA-UHFFFAOYSA-N 439.829 4.247 5 20 IIBD C[C@@H](OC(=O)c1ccc(Cl)c(Cl)c1N)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 919403427 WJLLIABZWJJKHQ-SSDOTTSWSA-N 432.647 4.321 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1 920155981 BFMBASAFBLYSTR-ACJLOTCBSA-N 432.860 4.166 5 20 IIBD CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])s1 920317533 OXVXFXINEJGVAN-CYBMUJFWSA-N 446.506 4.288 5 20 IIBD CC(C)[C@H](OC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)C(=O)NC(C)(C)C 920548798 TWMKGXQYQXLWMK-YWZLYKJASA-N 442.516 4.259 5 20 IIBD COc1cc(C(=O)O[C@@H](C)c2nc(C(C)C)no2)c([N+](=O)[O-])cc1OCc1cscn1 920652992 OLISIJOWERFCAF-NSHDSACASA-N 448.457 4.063 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 920819100 KGPMBBMSEKGTDR-MRVPVSSYSA-N 431.735 4.164 5 20 IIBD CCS(=O)(=O)c1cccc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1 1318928409 HTZRGWYVPNPESC-HZPDHXFCSA-N 445.541 4.123 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1Br)c1ccccc1C(F)(F)F 1319596902 QSMPMQFWSBOZIC-UHFFFAOYSA-N 432.196 4.218 5 20 IIBD C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)c1ccc(Cl)c(F)c1 1319886909 GLDSUCJNZDVNOU-MRVPVSSYSA-N 448.619 4.483 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC([C@H]2C(=O)Nc3ccccc32)CC1 1322778063 DIWOBKABHBWSEM-ZUOKHONESA-N 442.903 4.023 5 20 IIBD O=C(N[C@@H](Cc1nnc(COc2ccccc2[N+](=O)[O-])o1)c1ccccc1)c1ccccc1 1345739731 IJJDMBUTVULKDE-IBGZPJMESA-N 444.447 4.271 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)C34CC(F)(C3)C4)CCC2)cc1 1785791586 CDKIRGOUMOFWRW-UHFFFAOYSA-N 437.471 4.164 5 20 IIBD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC([C@@H]2CCCCN2C(=O)CCC2CCCC2)CC1 1826268002 FHMNHTKDXGBNNW-FQEVSTJZSA-N 430.549 4.127 5 20 IIBD C/C=C(\C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 1831337247 YNVLUBQCQBKGKR-QPHYPNAHSA-N 447.963 4.377 5 20 IIBD COc1ccc(C(=O)COC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Br 11028757 PHRXJVQWMZKNBQ-UHFFFAOYSA-N 428.622 4.059 5 20 IIBD O=C(COC(=O)c1cc(Cl)c(Cl)[nH]1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 11808972 OTHGXQKSNUVSTJ-UHFFFAOYSA-N 426.134 4.044 5 20 IIBD Cc1nn(CC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)c(C)c1[N+](=O)[O-] 17657182 WDBATUHIKLPAAG-LJQANCHMSA-N 448.932 4.171 5 20 IIBD COc1ccc([C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)c2c[nH]c3ccccc23)cc1 18188136 SSKHMZLOPBWBHQ-JOCHJYFZSA-N 445.475 4.412 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1cccc(C2SCCS2)c1 18216728 ZKEFVVVEIQNSFZ-UHFFFAOYSA-N 445.522 4.400 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 21834523 RTPYNUSWKGKGMX-CYBMUJFWSA-N 444.538 4.160 5 20 IIBD CCn1c(SCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)nnc1-c1cccc(Cl)c1 22181670 RCBAXQYTUYODSS-UHFFFAOYSA-N 443.916 4.208 5 20 IIBD Cc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 58310922 WJJIAYGOHMGDMP-UHFFFAOYSA-N 432.480 4.469 5 20 IIBD O=C(NCc1ccc(F)cc1)c1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1 58445331 ZXHGAAULTZHRIG-UHFFFAOYSA-N 432.411 4.398 5 20 IIBD COc1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc(OC)c1OCc1ccccc1 58493456 JNWQGYWIBWUTOG-UHFFFAOYSA-N 434.448 4.394 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(Sc2nc(C)cs2)cc1 108441827 JCMUBRODIQWSIH-UHFFFAOYSA-N 437.524 4.320 5 20 IIBD Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 109835494 SSJLUNNOQXWDTQ-UHFFFAOYSA-N 425.395 4.020 5 20 IIBD CCOc1ccc(CCC2CCN(C(=O)CCn3nc(C)c([N+](=O)[O-])c3C)CC2)cc1 116652039 QETJLXNBWDDQIN-UHFFFAOYSA-N 428.533 4.068 5 20 IIBD C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)c1nc(C(C)(C)C)cs1 301190465 LYHZMXBXPAZINO-CYBMUJFWSA-N 438.575 4.306 5 20 IIBD O=[N+]([O-])c1ccc(N2CC[C@H](Nc3ccccc3)C2)nc1N1CC[C@H](Nc2ccccc2)C1 302774721 OHGXWMNKTWIKMS-VXKWHMMOSA-N 444.539 4.371 5 20 IIBD Cc1cc2occ(CC(=O)N3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)c2cc1C(C)C 303922797 WAWUONDZUXWMSJ-UHFFFAOYSA-N 449.507 4.300 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CNc3ccc(F)cc3I)n2)c1 425983922 XLUUXQGTMWSOHN-UHFFFAOYSA-N 440.172 4.001 5 20 IIBD CC[C@@H](CO)N(Cc1ccccc1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 426274964 NJZYFXKIZGHPBZ-KRWDZBQOSA-N 425.407 4.096 5 20 IIBD COc1ccc(CN[C@@H](C(=O)O)c2ccsc2)cc1OCc1ccc([N+](=O)[O-])cc1 426832008 HPGGKOBYPHTKFF-HXUWFJFHSA-N 428.466 4.159 5 20 IIBD COc1cc(C(=O)N2CC3(CCC3)[C@@H]2C2CC2)c([N+](=O)[O-])cc1OCc1cscn1 427594422 QFXPLMMVRYEJBQ-IBGZPJMESA-N 429.498 4.044 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCCCO[C@@H]1CCCc2ccccc21 428048750 ODSCDNCLZDWEHQ-OAQYLSRUSA-N 435.480 4.122 5 20 IIBD CCCc1c(NC(=O)c2cc(C(=O)OCC)cc([N+](=O)[O-])c2)cnn1-c1ccccc1C 429274225 SBTHUIIQZFGSJP-UHFFFAOYSA-N 436.468 4.470 5 20 IIBD CN(C(=O)CN1CCC[C@@H]1c1ccc(Br)c(F)c1)c1ccc([N+](=O)[O-])cc1 430241231 GIJLBTNMRFBPKL-GOSISDBHSA-N 436.281 4.296 5 20 IIBD CC[C@H](CNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])Oc1cccc(C(F)(F)F)c1 430461253 YEYOFWGKGCOHTI-CYBMUJFWSA-N 442.390 4.218 5 20 IIBD CCN([C@@H](c1cccnc1)c1ccc(F)c(C)c1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 431922653 JLKWAPSLHODLOD-HXUWFJFHSA-N 447.463 4.377 5 20 IIBD COc1cccc(C(=O)N(C[C@H]2CCCO2)c2ccc(Br)cc2)c1[N+](=O)[O-] 435488239 AWEJVKWBFIIQJD-OAHLLOKOSA-N 435.274 4.192 5 20 IIBD O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 435936842 PYDZTXVVIWWGPN-UHFFFAOYSA-N 429.451 4.309 5 20 IIBD O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1O 436967615 XTHCAVLQXRKWMQ-INIZCTEOSA-N 438.267 4.241 5 20 IIBD O=C(CCSc1ccc2c(c1)OCCCO2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437122241 FSBVSWIYNNIYEL-UHFFFAOYSA-N 428.510 4.430 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1ccccc1OC1CCCC1 438656241 NHLNLTYZTDZNCQ-UHFFFAOYSA-N 425.485 4.292 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)c1cc(Cl)ccc1Cl 439716941 SESAUGIQIOHZHT-SNVBAGLBSA-N 426.256 4.116 5 20 IIBD CS(=O)(=O)c1ccc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])cc1 440428580 WBVLFRZQXMGQPS-UHFFFAOYSA-N 428.491 4.402 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC(c2ccc(O)cc2)CC1 443116616 KZSQJRNWNURMRZ-UHFFFAOYSA-N 431.297 4.176 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)c(Cl)c1 443420025 YAKVBOIVTLRAKW-UHFFFAOYSA-N 428.747 4.129 5 20 IIBD O=C(NCCCCCN1CCCCC1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444011343 JCQXZCUNXHOTSE-UHFFFAOYSA-N 427.495 4.346 5 20 IIBD C[C@@H](O)C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1ccccc1 444230597 YYYCQGTZEOPZJJ-ZBFHGGJFSA-N 436.458 4.244 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 444907144 OKGYAZGGHVMNGW-HNNXBMFYSA-N 428.493 4.181 5 20 IIBD Cc1ccc(Cn2nc(C)c(/C=C/c3nc(-c4c([N+](=O)[O-])nc(C)n4C)no3)c2C)cc1 445617025 UZSXYKUJJMFNQU-ZHACJKMWSA-N 433.472 4.027 5 20 IIBD CCc1nc(C)c([C@H](C)N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)s1 446030324 FHIWSKASUDDBGN-NSHDSACASA-N 426.336 4.447 5 20 IIBD O=C1CCCN1c1cccc(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])c1 447671080 LLWCTXOAVZSBLA-UHFFFAOYSA-N 430.333 4.383 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CCn2c(cc3ccc(Cl)cc32)C1 447817352 NPUOXMPOVCZCMQ-UHFFFAOYSA-N 426.904 4.055 5 20 IIBD CCCN(CC1CC1)C(=O)c1ccccc1NS(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 448543025 OZAPFEQERGKIPN-UHFFFAOYSA-N 445.541 4.275 5 20 IIBD Cc1nnc(-c2cccc(NC(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)o1 460395626 UIHNHJCCPZGBDA-UHFFFAOYSA-N 435.362 4.413 5 20 IIBD COC(=O)c1cc(Oc2ccc(Cl)cc2)ccc1NC(=O)CCn1cc([N+](=O)[O-])cn1 460446155 BHBLMPRSICDEKH-UHFFFAOYSA-N 444.831 4.052 5 20 IIBD Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)c12 461409692 FHZUWBASJKMCLZ-UHFFFAOYSA-N 449.511 4.315 5 20 IIBD O=C(Nc1cc(Cl)ccn1)c1cc(C(=O)Nc2cc(Cl)ccn2)cc([N+](=O)[O-])c1 461663580 LMUDOOJSCVPANA-UHFFFAOYSA-N 432.223 4.196 5 20 IIBD COc1cc(CNc2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)ccc1OCC(=O)N(C)C 461774360 GUENBELBLYIJOE-UHFFFAOYSA-N 441.406 4.010 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(CCC(F)(F)F)c2)c2ncccc12 463800077 ZMAQZMKABCVWEE-UHFFFAOYSA-N 425.388 4.439 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 463952522 DCQTUBFIZDDVSO-UHFFFAOYSA-N 437.500 4.143 5 20 IIBD CC(C)c1ccc(C[C@H]2CCN(C(=O)c3ccc(N4C(=O)CCC4=O)c([N+](=O)[O-])c3)C2)cc1 469790937 OFQFPPPOHQVSEL-GOSISDBHSA-N 449.507 4.076 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1nnc(-c2cc3ccccc3o2)s1 470509849 QVGZCEJFJKKSKN-UHFFFAOYSA-N 425.426 4.190 5 20 IIBD COc1ccc(CSCC(=O)N2CCC[C@H](OCc3ccccc3F)C2)cc1[N+](=O)[O-] 470685995 OSEUCHOYOXWMPF-SFHVURJKSA-N 448.516 4.184 5 20 IIBD CCC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 471436302 KOEAMCDALCWMIX-IBGZPJMESA-N 443.887 4.393 5 20 IIBD COc1ccc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)c(OCCOC(C)C)c1 476959579 MKUCNHBENWQEED-UHFFFAOYSA-N 440.456 4.050 5 20 IIBD COc1c(C(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)cccc1[N+](=O)[O-] 477123472 CAJWQTPXZBGXOD-OAHLLOKOSA-N 434.290 4.083 5 20 IIBD Cc1nc(C)n(-c2ccccc2NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 478216479 QFVNVDBNVYTUBG-UHFFFAOYSA-N 448.405 4.252 5 20 IIBD C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C[C@@]2(CCOC2)O1 478428023 NKUFMBQWTMQNEF-LHSJRXKWSA-N 448.928 4.419 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c1[N+](=O)[O-] 480726440 ALVKYXAYURPIKN-AWEZNQCLSA-N 433.461 4.060 5 20 IIBD O=C(CN1CCO[C@H](c2ccc(F)cc2Cl)C1)Nc1ccc([N+](=O)[O-])cc1Cl 481612805 HKVKZFNWQUQDKW-KRWDZBQOSA-N 428.247 4.053 5 20 IIBD COc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCc3sccc3C2)cc1[N+](=O)[O-] 484822299 QWPIFAVQCZZFSX-FQEVSTJZSA-N 437.521 4.194 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2ccccc2OC(F)(F)F)cc1SC 484968693 JZJCQZRIILHBEM-UHFFFAOYSA-N 430.404 4.496 5 20 IIBD COc1cc(C(=O)Nc2ccccc2-n2cc(Br)cn2)cc([N+](=O)[O-])c1C 485559224 IMHFZJIHGWGGBA-UHFFFAOYSA-N 431.246 4.112 5 20 IIBD O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 487208863 JVHPEJCLRHWXHN-PMERELPUSA-N 430.482 4.157 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 489128133 MGDDLAONVAIKGK-SFHVURJKSA-N 441.553 4.121 5 20 IIBD Cn1ccnc1[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(Cl)cc1 489811025 SQZGBEMIYYKVJQ-FQEVSTJZSA-N 439.903 4.445 5 20 IIBD CS(=O)(=O)c1cccc(NCCc2csc(-c3ccc(Cl)cc3)n2)c1[N+](=O)[O-] 497514369 CQPRFVYQBWKZRP-UHFFFAOYSA-N 437.930 4.430 5 20 IIBD COc1ccc(S(=O)(=O)N(Cc2ccccn2)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 500502506 XJLWKOCUVOIGRB-UHFFFAOYSA-N 433.873 4.047 5 20 IIBD C[C@@H](CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)c1ccc(C(F)(F)F)cc1 501132878 SNQPQKUXIJKJFK-ZDUSSCGKSA-N 427.448 4.237 5 20 IIBD COCCCOc1cccc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 501957564 YXJNRDNURSNBLX-UHFFFAOYSA-N 427.482 4.064 5 20 IIBD CCN(CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc([N+](=O)[O-])n1C 502406300 FFXYRDYNPNKGHP-UHFFFAOYSA-N 427.332 4.224 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(Oc3ccccn3)cc2)ccc1[N+](=O)[O-] 505158148 GVTFAPATNUVKBE-NRFANRHFSA-N 446.463 4.334 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)C(C)C 508185638 ZJKPEJLAAJREJR-QGZVFWFLSA-N 433.892 4.141 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1cccc2cccnc12 509026310 IOUJYKBNPSZBEY-UHFFFAOYSA-N 433.205 4.308 5 20 IIBD C[C@@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccccc1C(F)(F)F 509082743 WYRKIPDJLVWVJP-GFCCVEGCSA-N 437.374 4.179 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)C2CCN(C(C)C)CC2)cc1 509515161 ZPPRQCKAMGCHJQ-UHFFFAOYSA-N 427.501 4.341 5 20 IIBD O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cc2c(cc1Sc1ccccc1)OCCO2 509577615 NWFHPCJAVSHOQX-UHFFFAOYSA-N 444.490 4.318 5 20 IIBD COc1cc(C(=O)NC[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1OC 510201703 YPBLJEFLPXYOOD-SMDDNHRTSA-N 425.268 4.452 5 20 IIBD COCCN(C(=O)c1ccc(OC(C)C)nc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 514499907 URQZOTYOIGAANM-UHFFFAOYSA-N 442.497 4.194 5 20 IIBD COc1cc([C@H](C)NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OC1CCCC1 514576658 NEEOCWAMUWHWAR-AWEZNQCLSA-N 442.468 4.187 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c1 516321149 SUKYFUGHCYYHFR-FQEVSTJZSA-N 434.427 4.264 5 20 IIBD CCc1cccc(Oc2ccc(NC(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)cn2)c1 518786307 ZCQUDBAOBDRROS-UHFFFAOYSA-N 430.424 4.178 5 20 IIBD Cc1c(CNC(=O)C(=O)N(Cc2ccc(F)cc2)C2CCCCC2)cccc1[N+](=O)[O-] 519837826 IAQHZZYYCLSAKV-UHFFFAOYSA-N 427.476 4.020 5 20 IIBD CC(C)C[C@H](CNC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)N[C@@H](C)c1ccccc1 520393764 VZNYGMOBLZRVGV-FUHWJXTLSA-N 436.512 4.344 5 20 IIBD COc1ccc(C(=O)N2CCCC2)cc1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 521724579 NCKNWMNGTDOCFR-UHFFFAOYSA-N 425.485 4.389 5 20 IIBD O=C(NCCOc1ccccc1F)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 522875943 HNPLFXDAERAXRA-UHFFFAOYSA-N 439.230 4.035 5 20 IIBD O=C(CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)Nc1ccccn1 523390886 HHYVBZSGBPVTNS-UHFFFAOYSA-N 445.273 4.131 5 20 IIBD COc1ccc(CC[C@@H]2CCCCN2Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1OC 523606532 ZXBVHNXKMDFZQK-FQEVSTJZSA-N 442.512 4.466 5 20 IIBD COc1ccc(CSCC(=O)NCc2ccc(OC3CCCCC3)nc2)cc1[N+](=O)[O-] 523682632 SUVUBMNGUBCLLU-UHFFFAOYSA-N 445.541 4.260 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)cc1SC 525216090 AWZLTZMQJDDYBC-UHFFFAOYSA-N 432.889 4.476 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1ccc(F)cc1C(F)(F)F 531262263 XKQUINRYHGMNRX-UHFFFAOYSA-N 435.171 4.374 5 20 IIBD CN(C)[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(Cl)cc1 531305562 GJHHTCOAAXGVTR-HSZRJFAPSA-N 433.939 4.227 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H](O)COc3ccccc3Br)o2)cc1 532213337 MDJSHFWRNZPNRD-MRXNPFEDSA-N 447.285 4.147 5 20 IIBD CCc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)noc1-c1ccc(Cl)s1 533784502 LZGKTUXUSSWWQI-UHFFFAOYSA-N 443.890 4.337 5 20 IIBD CCOc1ccccc1CN(CCCn1ccnc1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 535703111 YYOKDHCYCUCJJE-UHFFFAOYSA-N 447.495 4.404 5 20 IIBD CCO[C@H]1C[C@@H](O)C12CCN(Cc1ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c1)CC2 536682267 BLMFEYZZRDDOHZ-YADHBBJMSA-N 430.476 4.278 5 20 IIBD CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)cc1 536734004 UYJXUBGNQRRIPH-SFHVURJKSA-N 441.528 4.306 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2cccc(C(=O)OC)c2[nH]1 537463160 UADPCOAKECXPGZ-UHFFFAOYSA-N 428.470 4.402 5 20 IIBD COc1ccc(CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]2CCCC[C@H]2C)cc1OC 537854071 ORDJAPQEIDZGBF-UZLBHIALSA-N 441.528 4.292 5 20 IIBD Cc1nc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)nn1-c1ccc(F)cc1 538250233 DXJUSBYMOFKKQI-UHFFFAOYSA-N 438.444 4.023 5 20 IIBD O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1ccc(Cl)cc1[N+](=O)[O-] 539799258 SXUYZQCQHXQSGM-AWEZNQCLSA-N 428.659 4.090 5 20 IIBD COCCOC1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 539830275 XMGUMJSAFGUJHF-UHFFFAOYSA-N 439.306 4.245 5 20 IIBD O=C(Nc1cccc(COCC2CC2)c1)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 540544770 QJOMHWWDNFCTNW-UHFFFAOYSA-N 425.470 4.043 5 20 IIBD CCCN(C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C1CCN(C(=O)c2ccccc2)CC1 543463284 ZDMKAKAGEUIASC-KRWDZBQOSA-N 441.503 4.381 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(c2nc([C@@H]3CCC[C@@H](C)C3)no2)CC1 545641922 DKOUYXXAWRJOGG-RHSMWYFYSA-N 448.545 4.148 5 20 IIBD O=[N+]([O-])c1ccc(/C=C(/Cc2nc(-c3nc[nH]n3)no2)c2nc3ccccc3s2)cc1 547299627 RPTPRUSUSUBGAP-LCYFTJDESA-N 431.437 4.156 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1nc(Cc2ccccc2)no1 550675275 GDRMLJXUEMYEMO-LBPRGKRZSA-N 445.273 4.131 5 20 IIBD Cc1c(NC(=O)[C@@H](C)N[C@H](c2cncc(Br)c2)C2CC2)cccc1[N+](=O)[O-] 551426396 XREFKVGIEOZNRK-XIKOKIGWSA-N 433.306 4.129 5 20 IIBD CN(CCc1nc(-c2ccccc2)no1)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 553086518 WKXJJISJGYFVSY-UHFFFAOYSA-N 432.889 4.091 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CCOc2ccc(Br)cc2C1 554936776 UWBVHXBCIOTHGU-UHFFFAOYSA-N 440.681 4.115 5 20 IIBD COc1ccc(CNC(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)cc1[N+](=O)[O-] 556405386 XTDCHWSMMFWNKG-UHFFFAOYSA-N 432.889 4.380 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 557484851 WUQIPVMCRJVGNL-UHFFFAOYSA-N 443.769 4.017 5 20 IIBD Cc1cc(N2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 557743358 YUBUGCSVSSFCMU-HNNXBMFYSA-N 446.433 4.497 5 20 IIBD Cc1cc(C(=O)NCC(=O)Nc2ccccc2N[C@@H](C)c2ccccc2)ccc1[N+](=O)[O-] 559250868 ZJNQLKWPCGNHKT-KRWDZBQOSA-N 432.480 4.445 5 20 IIBD CN(c1ccccc1)c1ccc(CN[C@@H](C2CC2)C2(CO)CCOCC2)cc1[N+](=O)[O-] 560611656 MURRWBQINDAMEN-QHCPKHFHSA-N 425.529 4.020 5 20 IIBD CCOc1ccc(NC(=O)CNc2cnn(-c3ccc(Cl)cc3)c2C)c([N+](=O)[O-])c1 561853813 GRZHHSZYHJAFGT-UHFFFAOYSA-N 429.864 4.192 5 20 IIBD CN(C(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C1c2ccccc2-c2ccccc21 564030562 RFZKIGXVQSSMHT-UHFFFAOYSA-N 449.894 4.135 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(Cc3noc([C@H](c4ccccc4)N4CCSCC4)n3)c2c1 569766262 GIMZFLRYHBFIGY-NRFANRHFSA-N 435.509 4.188 5 20 IIBD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCCc2c[nH]c3cccc(Br)c23)n1 571092509 SKVFGVDPVHEVKM-DOTOQJQBSA-N 432.322 4.351 5 20 IIBD COc1ccc([C@@H](C)NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c(C)c1OC 571911953 GIUKHTGAHPSMAY-GFCCVEGCSA-N 442.390 4.353 5 20 IIBD Cc1c(F)ccc2sc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Br)nc12 577397670 UOKBNOJAKVJBPZ-UHFFFAOYSA-N 446.279 4.215 5 20 IIBD COCCOc1cc(C)ccc1NCc1cc(I)cc([N+](=O)[O-])c1 578513359 BNJRPGPXCVGPOY-UHFFFAOYSA-N 442.253 4.145 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NC[C@@H](CO)c1ccc(Cl)cc1 588846785 CCHDTEZBYUMHTP-JTQLQIEISA-N 425.741 4.485 5 20 IIBD CCOc1cccc2cc([C@@H](C)NC(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)oc12 589604091 PYEYZUHZPZGUNU-CQSZACIVSA-N 425.441 4.405 5 20 IIBD CC(C)(C)c1ccc(Oc2ccc([C@H]3NC(=O)[C@@H]4CSCCN34)cc2[N+](=O)[O-])cc1 602757615 NSKDYLHTXHQTSJ-ICSRJNTNSA-N 427.526 4.230 5 20 IIBD O=C1CN(Cc2ccc(OCc3ccccc3)cc2)[C@H](c2ccc([N+](=O)[O-])cc2Cl)N1 602759555 NUZSIKYDYMQNBP-HSZRJFAPSA-N 437.883 4.458 5 20 IIBD CCN(CC)C(=O)c1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 603730661 XOAVSJDYBIRHFO-UHFFFAOYSA-N 439.390 4.270 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)Nc1nc2ccc(OCC(F)(F)F)cc2s1 603879213 FDAHBWLHURLZGB-UHFFFAOYSA-N 427.360 4.163 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N(CCc1ccccc1)Cc1ccncc1 608878366 DYMWWLAYZNABJW-UHFFFAOYSA-N 427.464 4.061 5 20 IIBD CCOc1ccccc1CN(CCCn1ccnc1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 609599817 JAKZJUOZBTWQBX-UHFFFAOYSA-N 447.495 4.404 5 20 IIBD O=C(Nc1ccccc1CS(=O)(=O)c1ccccc1)c1cc(Cl)cc([N+](=O)[O-])c1 609858996 ZJLVJHVUHKQXJH-UHFFFAOYSA-N 430.869 4.474 5 20 IIBD Cc1ccc(Cc2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3Br)s2)cc1 610044391 PDEUXEIINZYPKV-UHFFFAOYSA-N 433.287 4.360 5 20 IIBD Cn1cc(-c2csc(NC(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)n2)cn1 610200989 KVOVLAIKMIEAAJ-UHFFFAOYSA-N 434.481 4.316 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 610353610 CYGHCEAOHZTSDF-VXGBXAGGSA-N 427.345 4.346 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CCN(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(C)C 610782864 DIRAUDCTZQKBQK-UHFFFAOYSA-N 447.845 4.121 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Br)Nc1ccccc1C(F)(F)F 725985944 ZTIVVSLWDTWRDZ-UHFFFAOYSA-N 447.163 4.172 5 20 IIBD CC(C)(C)OC(=O)N1CCc2cc(NC(=O)NCCc3ccc([N+](=O)[O-])cc3)ccc21 726698943 KVLHYZIFDSBFQI-UHFFFAOYSA-N 426.473 4.257 5 20 IIBD CCc1cc[n+](/C(C(=S)Nc2ccc(OC)nc2)=C(/O)c2ccc([N+](=O)[O-])cc2)cc1 726962294 LJDQYVHYONXHCR-UHFFFAOYSA-O 437.501 4.172 5 20 IIBD COc1cc(NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)ccc1NC(=O)OC(C)(C)C 727663785 IWOTWPLEUKUECP-UHFFFAOYSA-N 431.445 4.140 5 20 IIBD Cc1ccc(Cl)c(O[C@@H](C)C(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 729192418 IZMQXLLROXACNT-HNNXBMFYSA-N 433.892 4.179 5 20 IIBD Cc1ccsc1C(=O)Nc1ccc(OC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1 729215609 KUCAOSWTOUOYAP-UHFFFAOYSA-N 436.449 4.172 5 20 IIBD O=C(Cc1coc2cc3c(cc12)CCC3)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730709358 VPVNGYONQGAMLH-IBGZPJMESA-N 448.475 4.220 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)ccc1Cl 731147849 XGSLNIDTFQIRQQ-UHFFFAOYSA-N 432.889 4.249 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 731829977 AGTKTHDSALAMNW-NRFANRHFSA-N 440.887 4.020 5 20 IIBD O=C(/C=C/C1CCOCC1)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 732692225 LYLCPQULRVHJLZ-VHTFYLNKSA-N 444.871 4.454 5 20 IIBD Cc1c(C(=O)NCCCc2ccc(Br)cc2F)cc([N+](=O)[O-])cc1[N+](=O)[O-] 734805630 UBLBMTZODKMEDM-UHFFFAOYSA-N 440.225 4.076 5 20 IIBD O=C(COC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccc2ccccc12 735148039 KATAFSLYCZJDGH-UHFFFAOYSA-N 428.828 4.352 5 20 IIBD Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Br)C1 735261178 MDAYIHWFZMFAJC-CQSZACIVSA-N 436.281 4.204 5 20 IIBD O=C(OCc1cc(Cl)c2c(c1)OCCCO2)c1cc(O)nc2ccc([N+](=O)[O-])cc12 735353112 WTMIMIFXSWHUHO-UHFFFAOYSA-N 430.800 4.020 5 20 IIBD CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCc1cc([N+](=O)[O-])ccc1Cl 735415141 FCYWBFSLGVTOLH-UHFFFAOYSA-N 446.803 4.098 5 20 IIBD O=C([C@@H]1CSc2ccccc21)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 735634901 IEECXXLCNVEBEF-OAHLLOKOSA-N 437.443 4.152 5 20 IIBD O=C(OCc1noc2c1CCCC2)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 736862832 FXNIKZRMLTWBQJ-UHFFFAOYSA-N 437.239 4.311 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)cc1 741984781 KZMNBIAJJTWXTK-JXFKEZNVSA-N 444.509 4.076 5 20 IIBD COc1ccc(OCCOC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)c([N+](=O)[O-])c1 744893335 VKTHPPLDRCLUSA-HZPDHXFCSA-N 436.258 4.092 5 20 IIBD Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 747960694 ADGQVTKMFMOOAH-HUUCEWRRSA-N 439.493 4.449 5 20 IIBD Cc1c(C(=O)O[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748948485 CBZLFJOTKSCTRC-STQMWFEESA-N 449.847 4.196 5 20 IIBD CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1 748951345 PNARAXMNYQKCQU-GFCCVEGCSA-N 429.429 4.429 5 20 IIBD O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 749877298 VWWCBMCCYFTEAK-UHFFFAOYSA-N 427.810 4.225 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cc(Cl)c(Cl)cc1OC 750440455 NOVYVUVWBUOTKR-SECBINFHSA-N 443.239 4.103 5 20 IIBD C[C@H](OC(=O)c1cccc(Cl)c1[N+](=O)[O-])C(=O)Nc1ccc(Br)cc1 750535532 JNQJFSXGKNRKND-VIFPVBQESA-N 427.638 4.195 5 20 IIBD O=C(COC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1cc(Cl)ccc1F 751643932 MUSOVLXWNSWRQY-UHFFFAOYSA-N 433.244 4.315 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 752104236 JXANMNKUDIZDFX-DOTOQJQBSA-N 437.290 4.459 5 20 IIBD COC(=O)c1nc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)sc1C(C)C 752856855 IJWVPIJKPOTYHH-UHFFFAOYSA-N 446.254 4.115 5 20 IIBD CCCc1c(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cnn1-c1cccc(F)c1 753265656 VKGYMBWZJDPVQR-NRFANRHFSA-N 437.431 4.004 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCCNc2ccc(-c3ccccc3)nn2)cc1SC 753827738 KXDDXTGPBWQIDQ-UHFFFAOYSA-N 440.481 4.051 5 20 IIBD C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754995333 YWJWWHWTHKPVCK-VIFPVBQESA-N 438.278 4.467 5 20 IIBD O=C(OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cc(-c2ccccn2)ccc1Cl 754999275 QIRVAYFJVOHZAO-UHFFFAOYSA-N 437.839 4.056 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1c[nH]nc1-c1cccc(Cl)c1 756601847 MYTLXTCIJSBWTI-UHFFFAOYSA-N 425.788 4.045 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cnc(Cl)c(Br)c2C)cc1C 758946568 IBUGGKNBUWDNLG-UHFFFAOYSA-N 434.699 4.132 5 20 IIBD O=C(O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1csc(Cc2ccc(F)cc2)n1 759948800 NYXPKYMWBBJOSN-IAGOWNOFSA-N 430.461 4.318 5 20 IIBD Cc1nn(CN2CCO[C@H](c3cccc(Br)c3)C2)c2cc([N+](=O)[O-])ccc12 761291929 WYAFKPNHVMXQEN-IBGZPJMESA-N 431.290 4.046 5 20 IIBD O=C(/C=C/c1ccccc1)N1CCC(c2nc(CCNc3ccccc3[N+](=O)[O-])no2)CC1 761968832 MBLQYIYAEJWBQK-ZHACJKMWSA-N 447.495 4.052 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 765639583 PMPMGPGJALJSGD-IBGZPJMESA-N 445.560 4.413 5 20 IIBD COc1cc(CN(Cc2ccco2)S(=O)(=O)/C=C/c2ccccc2)c([N+](=O)[O-])cc1F 766059026 IBGRACMUJOJIIM-PKNBQFBNSA-N 446.456 4.338 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(NC[C@@H](O)c3cccc(OCc4ccccc4)c3)CC2)cc1 766595765 NNOMVOHHHVXQEQ-AREMUKBSSA-N 447.535 4.466 5 20 IIBD O=C(c1ccc(Cl)nc1C(F)(F)F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 766762419 XOASJTFBKDSEES-UHFFFAOYSA-N 429.782 4.346 5 20 IIBD COc1ccc(CCC(=O)N2CCCN(c3c(C)cc([N+](=O)[O-])cc3Cl)CC2)cc1 770101896 XJRUGZBIWYLLJM-UHFFFAOYSA-N 431.920 4.237 5 20 IIBD COc1ccccc1[C@H](CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])OC(C)C 770150152 LVVOSSODCIHKFU-SFHVURJKSA-N 444.456 4.178 5 20 IIBD O=C(OC[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1cc(Br)cc([N+](=O)[O-])c1 770600913 JFLMHRBHHQKQPA-CQSZACIVSA-N 447.285 4.067 5 20 IIBD CCOc1cc(C(=O)O[C@@H](C)c2nc(-c3cccc(F)c3)no2)c([N+](=O)[O-])cc1OC 771907771 DPJZOWRHWCUMQX-NSHDSACASA-N 431.376 4.109 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1ccccc1OC(F)F 775085249 HBMFRZBIBMTVON-UHFFFAOYSA-N 440.424 4.492 5 20 IIBD CC1(C)OCC(C)(C(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)CO1 775226770 JUSDCRIKOCJPGW-UHFFFAOYSA-N 448.859 4.195 5 20 IIBD COc1ccc(-n2c(SC[C@@H](O)c3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)cc1 776271689 NEMQRHKPVUNMEP-OAQYLSRUSA-N 449.488 4.128 5 20 IIBD O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@@](O)(c2ccc(F)cc2)C1 777488551 AXWGJDQWCZHVTR-DEOSSOPVSA-N 435.455 4.080 5 20 IIBD CNc1ccc(C(=O)O[C@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)cc1[N+](=O)[O-] 780081322 JCVLMCCICIOOEJ-OAHLLOKOSA-N 425.441 4.124 5 20 IIBD Cc1ccc(N2CCN(C(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)CC2)cc1 781016993 NPSYBEMWJFSONP-UHFFFAOYSA-N 433.458 4.230 5 20 IIBD CC(=O)N(c1nc(COC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cs1)C1CC1 781258825 HMVFRODLTIKGDU-UHFFFAOYSA-N 433.489 4.010 5 20 IIBD O=C(C[C@H](O)c1ccc(OCc2ccccc2)cc1)OCc1nc2cc([N+](=O)[O-])ccc2o1 781281010 FXUUFMNAQVJLLP-NRFANRHFSA-N 448.431 4.482 5 20 IIBD C[C@H](OC(=O)c1cccc([N+](=O)[O-])c1Br)C(=O)Nc1cc(Cl)ccc1F 781675287 RGJKNFASOUPWBB-QMMMGPOBSA-N 445.628 4.334 5 20 IIBD Cc1ccnc(OC2CCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)CC2)c1 782592833 CDDVIJOYJUZVHO-UHFFFAOYSA-N 435.278 4.136 5 20 IIBD CC1(C)C[C@@H](OC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCO1 785903304 AOITYWXITWWWLT-HNNXBMFYSA-N 430.423 4.331 5 20 IIBD CCCOc1cc(NC(=O)CC2CCC3(CC2)OCCO3)c([N+](=O)[O-])cc1OCCC 788426904 CVUAOZCGXXSAHY-UHFFFAOYSA-N 436.505 4.434 5 20 IIBD COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 788462988 ABQCMPYVLPHSQP-FQEVSTJZSA-N 447.919 4.061 5 20 IIBD C[C@@H](N[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1)c1ccc(N)c([N+](=O)[O-])c1 788615184 VOHBHLUXRJAJEO-PEBXRYMYSA-N 443.500 4.160 5 20 IIBD Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1cc([N+](=O)[O-])cc(Br)c1C 790168753 HOPVBVDXJPRLRN-XLIONFOSSA-N 444.329 4.422 5 20 IIBD O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791171959 JNUJGVKWOUCMIS-UHFFFAOYSA-N 440.637 4.117 5 20 IIBD O=C(CCc1ncc(-c2ccccc2Cl)o1)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 791669959 KESGSKFWBKIVCE-UHFFFAOYSA-N 431.788 4.487 5 20 IIBD Cc1cc(COC(=O)c2nc(Br)ccc2Br)ccc1[N+](=O)[O-] 792546530 BCLLWGBKTFOVDE-UHFFFAOYSA-N 430.052 4.180 5 20 IIBD CCC[C@@H](NCc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1)c1cccc([N+](=O)[O-])c1 793570486 VAOMRBZEZMQWAQ-ZJSXRUAMSA-N 436.512 4.451 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC1=CCN(C(=O)OC(C)(C)C)CC1 794178298 RYGOQYVCRZQZEP-UHFFFAOYSA-N 435.546 4.394 5 20 IIBD COc1cc(CNc2cnc(Br)cn2)c([N+](=O)[O-])cc1OCc1ccccc1 795797206 FNOHTTSJNYPQNT-UHFFFAOYSA-N 445.273 4.347 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N[C@@H](C)c2ccsc2)cc1 801015927 CRBCZANLBCXKLR-AWEZNQCLSA-N 446.506 4.223 5 20 IIBD O=C(N=c1cc[nH]cc1[N+](=O)[O-])N[C@@H](c1c[nH]c2ccccc12)C(Cl)(Cl)Cl 806380580 YXOKVVIGHLOHJF-AWEZNQCLSA-N 428.663 4.126 5 20 IIBD C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC[C@H](O)c1ccc(Cl)c(Cl)c1 809755373 PTKOTUMQCQKXFJ-SGTLLEGYSA-N 426.300 4.332 5 20 IIBD CC[C@@H](NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C(C)(C)c1ccccc1 810397974 DOSLOTAUZAEDHX-QGZVFWFLSA-N 448.317 4.168 5 20 IIBD COc1cc(OC)cc(N2CC[C@H](NCc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)c1 811484311 YSYSMSHYVNGKDH-AWEZNQCLSA-N 426.300 4.287 5 20 IIBD CCOc1ccc([C@@H](O)C2CCN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 812863366 GQPDMVJCQUVQGZ-JOCHJYFZSA-N 447.919 4.031 5 20 IIBD O=C(Nc1ccnc(N2CCc3ccccc3C2)c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 816842272 KJHNAECWSUAZGK-UHFFFAOYSA-N 443.507 4.405 5 20 IIBD Cc1cccc(-n2ncc(C(=O)O[C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c2C)c1 900189178 HNEHENRENNKHNT-HNNXBMFYSA-N 433.424 4.365 5 20 IIBD O=C1C[C@@H](C(=O)N2CCCCC[C@@H]2c2ccccc2)CN1c1ccc(F)c([N+](=O)[O-])c1 917714550 OEHRGFJIGXCDOJ-YLJYHZDGSA-N 425.460 4.231 5 20 IIBD CNC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 918569131 QWVJTKYLQLTMTI-ZIAGYGMSSA-N 444.919 4.342 5 20 IIBD O=C(OCc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 919087233 FZDYHWAJPXNEQP-QGZVFWFLSA-N 441.242 4.389 5 20 IIBD C[C@@H](OC(=O)c1csc(-c2ccccc2F)n1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 920733357 XQFFTWBWURPFPU-SNVBAGLBSA-N 433.392 4.181 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCCN(c3ncnc4ccc([N+](=O)[O-])cc34)C2)CC1 1116686944 RWSVHSGNWVSTJJ-UHFFFAOYSA-N 427.505 4.156 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(Oc2cccc(F)c2)nc1 1319974476 TWMANFPHAJJVIA-UHFFFAOYSA-N 426.360 4.401 5 20 IIBD COc1cccc(C=C2CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3N)CC2)c1 1321299857 WGIXRNDRGYENCP-UHFFFAOYSA-N 446.301 4.268 5 20 IIBD O=C(NC1CCN(c2cccc(F)c2)CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 1328987883 KXVFUWGLULSNHY-UHFFFAOYSA-N 426.473 4.256 5 20 IIBD Cc1c(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 1338096478 HVCRNPZMNUKXQO-IBGZPJMESA-N 449.467 4.172 5 20 IIBD Cc1ccc(S(=O)(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)o2)cc1 1341384730 PJRGKXGHRHOSGQ-UHFFFAOYSA-N 444.513 4.071 5 20 IIBD COc1ccc(NC(=O)N(CCn2ccnc2)Cc2cccc(Cl)c2)c([N+](=O)[O-])c1 1345741170 GDPAKOQLNALPMR-UHFFFAOYSA-N 429.864 4.188 5 20 IIBD Cc1cncc(CCC(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CCC2)c1 1785748457 OQLTTYNJGAGQQC-UHFFFAOYSA-N 448.479 4.272 5 20 IIBD CC[C@H]1CC[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])[nH]3)[nH]n2)CC1 1822225862 UBRDVKWRGYKFLD-IIDMSEBBSA-N 442.520 4.168 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccs2)CC1 1825308839 BHXRYSVFJJLTKY-SFHVURJKSA-N 445.541 4.115 5 20 IIBD CC(C)/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cc(F)ccc2[N+](=O)[O-])CC1 1832513199 RPNYRWUCWBJRCZ-VHTFYLNKSA-N 445.535 4.108 5 20 IIBD CCC[C@H]1CC[C@H](C(=O)N2CCCC23CN(C(=O)Cc2cc([N+](=O)[O-])ccc2F)C3)CC1 1846076272 VJQCSROUJSHRSF-IYARVYRRSA-N 445.535 4.086 5 20 IIBD CC(C)n1nnnc1S[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 16452833 KOHOWFQXEYLMFX-MRXNPFEDSA-N 432.893 4.288 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(I)cc1 20899061 CPYGNLPWGGUWEV-UHFFFAOYSA-N 425.226 4.030 5 20 IIBD O=C(COC(=O)c1ccc(Br)c([N+](=O)[O-])c1)Nc1ccc2ccccc2c1 22564583 PFHVCTMKWFMLPA-UHFFFAOYSA-N 429.226 4.306 5 20 IIBD C[C@@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)Nc1ccc(N2CCCC2=O)cc1 23214229 FBAUODVOSQHQGM-GFCCVEGCSA-N 442.522 4.451 5 20 IIBD Cc1nc(-c2cccc(NC(=O)COC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)cs1 23221096 UXZZVYYBYOGXJZ-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD NC(=O)c1ccc(SCC(=O)N(Cc2cccs2)Cc2cccs2)c([N+](=O)[O-])c1 24464632 UNKLPHXBUDPGHO-UHFFFAOYSA-N 447.563 4.138 5 20 IIBD CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N(C)Cc3ccccc3[N+](=O)[O-])cc2)cc1 26830788 RJJMVTVQSOLHRX-UHFFFAOYSA-N 439.493 4.041 5 20 IIBD O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 29049992 RSJGXFGLGSXPAU-UHFFFAOYSA-N 434.861 4.017 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc([C@@H](C)Nc2ccc3ncccc3c2[N+](=O)[O-])cc1 59373534 KVCMKSYNGREUPM-OAHLLOKOSA-N 428.514 4.347 5 20 IIBD COc1ccc(COc2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1[N+](=O)[O-] 60803402 HKPVFAIMBWRCTL-UHFFFAOYSA-N 442.493 4.316 5 20 IIBD Cc1ccc(-c2csc(NC(=O)[C@H]3CCCN(C(=O)C(C)(C)C)C3)n2)cc1[N+](=O)[O-] 63286471 IZWFKSAMNZLHQV-HNNXBMFYSA-N 430.530 4.250 5 20 IIBD O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 65413681 QDQYHXLRCPSHJU-MRXNPFEDSA-N 434.443 4.230 5 20 IIBD O=C(NCc1cccc(OCCN2CCOCC2)c1)c1cc2ccccc2c2cccnc12 109173861 JOCLQXPCHOYITM-UHFFFAOYSA-N 441.531 4.029 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(-n2cnc3ccccc32)nc1 109519242 RAVCZDGFZQPIEL-OAHLLOKOSA-N 433.493 4.126 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc([N+](=O)[O-])c1 195694199 RAEXJROFWKQACF-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD O=[N+]([O-])c1cc(CNCCc2nnc3n2CCCCC3)ccc1Oc1ccc(F)cc1 237880635 CYWNADLPBPKJTQ-UHFFFAOYSA-N 425.464 4.176 5 20 IIBD C[C@H](NC1(CNc2c(Br)cncc2[N+](=O)[O-])CCOCC1)c1ccccc1 301903807 XQJHNOXORCPQGB-AWEZNQCLSA-N 435.322 4.064 5 20 IIBD O=[N+]([O-])c1cc2c(O)ncnc2cc1N1CCC(c2nc3cc(Cl)ccc3o2)CC1 302004512 ZESNPBDPVVPCFW-UHFFFAOYSA-N 425.832 4.422 5 20 IIBD CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 410049736 ZCCAOGIINKAGLL-UHFFFAOYSA-N 425.272 4.072 5 20 IIBD C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 426259397 YBNSSZDGNWYJOV-ZDUSSCGKSA-N 448.405 4.097 5 20 IIBD COc1cc(C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C(=O)O)cc(OC)c1 426797627 BNZLGBWOOVVVOR-HXUWFJFHSA-N 442.493 4.126 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCn4c(nnc4C4CCCC4)C3)c([N+](=O)[O-])c2)cc1 428689691 IIKUAGCBQKMDSJ-UHFFFAOYSA-N 446.511 4.425 5 20 IIBD COc1ccc([C@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])N2CCCCC2)cc1 429865548 KTXIIMFLDIZEJZ-QFIPXVFZSA-N 425.529 4.224 5 20 IIBD Cc1cc(=O)c2cc(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)ccc2[nH]1 430185353 DILPKQXAMHXAJR-UHFFFAOYSA-N 431.398 4.362 5 20 IIBD Cc1cccc([C@@H](C)NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1C 430326030 JBUIOXHTSSLMCK-CYBMUJFWSA-N 434.290 4.098 5 20 IIBD COc1ccc(CSCC(=O)Nc2cc(C)ccc2-n2cc(C)cn2)cc1[N+](=O)[O-] 435449734 VLXXTAPGNXJYGJ-UHFFFAOYSA-N 426.498 4.278 5 20 IIBD Cc1cc(NC2CCN(C(=O)c3ccccc3O)CC2)c(Br)cc1[N+](=O)[O-] 436946313 WUHGXJDXCGQQQQ-UHFFFAOYSA-N 434.290 4.088 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC(c1ccccc1C)c1ccccc1C 439843845 SCKVTVZFKQNGBQ-UHFFFAOYSA-N 447.491 4.455 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1)c1cccc([N+](=O)[O-])c1 441706431 XEBPKXBSULTCDV-LBPRGKRZSA-N 426.498 4.318 5 20 IIBD CC[C@@H](Cc1ccccc1Br)N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C 441850039 SFXHBQYALNUHTB-HNNXBMFYSA-N 448.317 4.084 5 20 IIBD Cc1c(NC(=O)C(=O)N2CCC(c3ccccc3Br)CC2)cccc1[N+](=O)[O-] 443652971 VDUFJYMFVPZSKK-UHFFFAOYSA-N 446.301 4.010 5 20 IIBD Cc1ccc(CNC(=O)C2CCN(C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CC2)cc1F 443955535 GZAAZMQZQJVWNZ-UHFFFAOYSA-N 442.491 4.219 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 443974184 SLWITHHCBXPUHZ-UHFFFAOYSA-N 437.500 4.143 5 20 IIBD COc1ccccc1OC[C@H](C)CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444281476 ACXLGWAYZOOAGN-OAHLLOKOSA-N 434.467 4.274 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)Nc2cc(Br)cnc2-n2cccn2)cc1[N+](=O)[O-] 444911448 IARVONGFOSGFIG-GFCCVEGCSA-N 445.277 4.129 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)n2)s1 445479583 JURGJIHHIUPLRF-UHFFFAOYSA-N 428.451 4.174 5 20 IIBD CC(=O)Nc1ccc(Cl)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 446126729 ODXGHRWHKHVIGZ-UHFFFAOYSA-N 426.654 4.150 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N1Cc2ccccc2C[C@@H]1c1ccccc1 446897871 GJDADDPFJDDRLI-JOCHJYFZSA-N 427.464 4.480 5 20 IIBD CCOc1ccc([C@@H](C)NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)cc1[N+](=O)[O-] 447549310 DUUAUTSXGDSWJT-GFCCVEGCSA-N 446.447 4.267 5 20 IIBD COc1cc(OC)cc(OCCNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])c1 447682918 LEAHQMXQGYQOTP-UHFFFAOYSA-N 437.321 4.152 5 20 IIBD Cc1cc(C[C@H](C)NC(=O)c2ccc(Br)cc2[N+](=O)[O-])n(-c2ccccc2)n1 448172699 DVMNGXZLERAWQF-ZDUSSCGKSA-N 443.301 4.212 5 20 IIBD Cc1ccc(-c2nnc(N(C)CCc3ccccc3[N+](=O)[O-])n2C[C@@H]2CCCO2)s1 461174185 LPIQHQIPNSNVQR-KRWDZBQOSA-N 427.530 4.081 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2cc([C@H]3C[C@H]4CC[C@H]3C4)[nH]n2)cc1[N+](=O)[O-])c1ccccn1 461472932 YEPAFDZFECJOOP-CVYDXHPNSA-N 446.511 5.042 5 20 IIBD CCN(CC)CCSc1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1[N+](=O)[O-] 462115495 GWMJRJQLUMRDIW-UHFFFAOYSA-N 437.587 4.244 5 20 IIBD C[C@H](NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)c2ccccc12 462222905 IEGJPNZEEVBESS-LBPRGKRZSA-N 425.828 4.187 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1cccc(OC)c1)C[C@H]1CCCO1 462494044 XAXBUVUHZDRNMO-NFBKMPQASA-N 426.513 4.380 5 20 IIBD C[C@@H]1C[C@H](c2ccccc2F)N(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 462634556 ZTKRDJZYQYGRRY-IAQYHMDHSA-N 443.294 4.268 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCO[C@@H]2c2ccc(C)cc2)cc1OC 464889220 DEYLXFBYSWDYEY-VGOFRKELSA-N 428.485 4.208 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCC(OCCN2CCCC2)CC1 465355147 DWJYDKCZQPLGDR-UHFFFAOYSA-N 439.512 4.104 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCO[C@H](c2cccc(Cl)c2)C1 467169016 BNKZLGAQVIBOPB-INIZCTEOSA-N 427.791 4.455 5 20 IIBD Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)c(O[C@@H](C)CC(C)C)c1 468229830 MDWFPHWPFLPVDW-INIZCTEOSA-N 448.541 4.050 5 20 IIBD Cc1csc(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1I 469552750 VRRNBEYELYGDGN-UHFFFAOYSA-N 436.658 4.153 5 20 IIBD COc1cc(OCC(=O)Nc2ncccc2OCc2cccc(Cl)c2)ccc1[N+](=O)[O-] 471548502 RCRFBBJJLKENAG-UHFFFAOYSA-N 443.843 4.248 5 20 IIBD CCc1ccc(C(=O)N(Cc2ncc(-c3ccc4c(c3)OCO4)[nH]2)C(C)C)cc1[N+](=O)[O-] 471897872 IKILNBJILGOKLD-UHFFFAOYSA-N 436.468 4.327 5 20 IIBD COc1ccc(-c2nc(SCC(=O)c3cccc([N+](=O)[O-])c3)n[nH]2)cc1Br 473505275 BIMHFOZBLNLFBK-UHFFFAOYSA-N 449.286 4.126 5 20 IIBD COC(=O)COc1ccc(CN[C@@H]2CCOc3c(-c4ccccc4)cccc32)cc1[N+](=O)[O-] 474348332 GVLKRWYXJUCQBX-OAQYLSRUSA-N 448.475 4.427 5 20 IIBD O=C(N[C@H]1CC[S@](=O)C1)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 474944997 RRJNWNCCKQPNOZ-AOAWJKDVSA-N 444.456 4.016 5 20 IIBD COC(=O)COc1ccc(CN(C)[C@H](C)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 475563770 WAORPRTUMYZFRT-CYBMUJFWSA-N 426.391 4.358 5 20 IIBD CCCN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCOC)c2cc(F)ccc21 476079105 IQBOGHRQUBNODA-UHFFFAOYSA-N 433.505 4.349 5 20 IIBD O=C(Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)nc1)c1ccccc1 477920191 LZHAJDHKZMCKQO-UHFFFAOYSA-N 441.241 4.257 5 20 IIBD COc1cc(C(=O)N(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)cc([N+](=O)[O-])c1C 479627934 UEBBGSBSQRTYIS-UHFFFAOYSA-N 426.448 4.146 5 20 IIBD O=C(Nc1ccc(OCC2CCOCC2)cc1)c1sc(Br)cc1[N+](=O)[O-] 485495891 CZPPDBIDZBJRQQ-UHFFFAOYSA-N 441.303 4.477 5 20 IIBD O=C(Nc1ccc(Cn2cncn2)cc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 486384816 YITMDOMRAOXXKF-UHFFFAOYSA-N 429.436 4.066 5 20 IIBD Cc1cc(C(=O)CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(C)n1CCc1cccs1 488993353 CALDSYQJAZJFAY-UHFFFAOYSA-N 441.557 4.034 5 20 IIBD COCCN(Cc1cc(Br)cs1)C(=O)Nc1cccc([N+](=O)[O-])c1C 494180416 URKGMPIHOPGPPT-UHFFFAOYSA-N 428.308 4.408 5 20 IIBD CCOC(=O)c1cc2cc(C(=O)N3CCS[C@H]3c3ccc([N+](=O)[O-])cc3)ccc2[nH]1 498136318 RXMXSNSGBHDWJZ-FQEVSTJZSA-N 425.466 4.141 5 20 IIBD CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 499973343 BNELIXKRZYXRJZ-GOSISDBHSA-N 441.531 4.456 5 20 IIBD O=c1c2c(-c3ccccc3)csc2ncn1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 500861513 WAHVBSIIYMYMGF-UHFFFAOYSA-N 431.433 4.132 5 20 IIBD C[C@@]1(O)CCCN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C1 501702093 PULMBSSPRDJBTG-HXUWFJFHSA-N 429.523 4.343 5 20 IIBD CCOc1cc(C(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cc2)c([N+](=O)[O-])cc1OC 502216985 BRKUMVIXGYEQON-GFCCVEGCSA-N 442.390 4.434 5 20 IIBD CC1CCN(C2CCC(NC(=O)Cc3ccc([N+](=O)[O-])cc3Br)CC2)CC1 502225652 KCCWAXSZKJWZBP-UHFFFAOYSA-N 438.366 4.059 5 20 IIBD C[C@H](NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1nc(-c2ccccc2)cs1 502631083 PZEVODZYKUPCNE-INIZCTEOSA-N 437.525 4.311 5 20 IIBD CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1nnc2ccc(C(F)(F)F)cn12 504912112 QJHCZGIUIBOZIR-CYBMUJFWSA-N 425.436 4.317 5 20 IIBD C[C@H](NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccccc2)cc1 506253480 LBHZVLWCQILJRT-KRWDZBQOSA-N 448.479 4.064 5 20 IIBD CCCCN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@@H]1CCS(=O)(=O)C1 506765725 DKTVITKYMHAWGY-OAHLLOKOSA-N 426.922 4.297 5 20 IIBD COc1ccc([C@@H](NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c2ccc(F)cc2)cc1 509775869 KQBAVBAMGRPOFY-NRFANRHFSA-N 430.457 4.119 5 20 IIBD CCOc1cc(NC(=O)N[C@H](C)COc2ccc(F)cc2F)c([N+](=O)[O-])cc1OCC 510409599 FTTOXIXTXFLIBT-GFCCVEGCSA-N 439.415 4.259 5 20 IIBD COc1ccc(CN(CC2CCC2)C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])c(OC)c1 511766521 CYFNMMHHTDVHED-UHFFFAOYSA-N 444.484 4.072 5 20 IIBD C[C@H](NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc(Oc2cccnc2)cc1 514156153 OVOFLPAXZDBEFO-INIZCTEOSA-N 436.472 4.086 5 20 IIBD O=C(CSCc1coc(-c2ccccc2)n1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 514570454 YDVPJTHLQGFPHG-UHFFFAOYSA-N 441.465 4.283 5 20 IIBD CN(Cc1c(Cl)cccc1Cl)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 518376448 ZUCWEZRIKNXGOO-CQSZACIVSA-N 442.324 4.226 5 20 IIBD COCCCn1c(SCCOc2ccc([N+](=O)[O-])cc2)nc2cc(Cl)ccc2c1=O 519107501 XBQNTBJJMRKEKM-UHFFFAOYSA-N 449.916 4.166 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1ccc(Oc2ccccc2)cc1 519901535 JMUJADDNIPMEHW-UHFFFAOYSA-N 426.450 4.067 5 20 IIBD O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H](O)COc2ccc(C(F)(F)F)cc2)o1 520216044 RMBQUUCPBXOWJO-HNNXBMFYSA-N 436.386 4.403 5 20 IIBD NC(=O)c1ccc(CSCc2cc(Br)ccc2OC(F)F)c([N+](=O)[O-])c1 520640150 FADSTVBWSZMJPW-UHFFFAOYSA-N 447.257 4.491 5 20 IIBD O=C(CSCc1ccc(Br)cc1)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 520989659 YUEINNFYFRYRBW-UHFFFAOYSA-N 447.314 4.415 5 20 IIBD O=C(Nc1ccc(N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl)c1ccco1 521839242 RWIGUDSNQDVCMV-GOSISDBHSA-N 440.843 4.311 5 20 IIBD COc1cccc(CN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C2CCC(O)CC2)c1 523014718 FMMWTQGEWNABJC-YQHFOJDRSA-N 427.501 4.180 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N[C@@H](c1ccccc1)[C@@H]1CCCO1 523242946 FHKFHQPTXLQRGL-VXKWHMMOSA-N 445.541 4.102 5 20 IIBD O=C(Nc1ccc(Br)cc1)C1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 523679233 CUBAMTCTLMAKGR-UHFFFAOYSA-N 447.289 4.240 5 20 IIBD Cc1ccc(CNC(=O)c2ccccc2NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 524488623 GUMCJAUTWYIGTD-UHFFFAOYSA-N 443.463 4.495 5 20 IIBD CC(C)c1cc(Br)ccc1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 536321847 SJUQDARULCLXTQ-UHFFFAOYSA-N 430.262 4.314 5 20 IIBD O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1O)c1ccc(CNC(=O)c2cccs2)cc1 537543139 MJWYHPHCPHWIAG-UHFFFAOYSA-N 431.857 4.198 5 20 IIBD O=C1C[C@@H](Cc2ccc(NCc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)cc2)C(=O)N1 537729112 FDOFREABDOLWFB-CQSZACIVSA-N 439.855 4.326 5 20 IIBD COc1ccc(C(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)cc1[N+](=O)[O-] 539892819 QSBKWKDCXZOTOJ-UHFFFAOYSA-N 430.289 4.386 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 540239480 COEKZVDRDFDGFP-LXIYXOSZSA-N 436.306 4.494 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]1c1ccc2c(c1)OCCO2 542336396 OHSZURJGRROKQY-OAHLLOKOSA-N 434.901 4.475 5 20 IIBD CCC(C)(C)C1CCC2(CC1)NC(=O)N(Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)C2=O 544935696 ZWUKCZWFSWEVLB-UHFFFAOYSA-N 441.488 4.062 5 20 IIBD CC(=O)NCCc1noc(C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)n1 545738249 NOHMRYPUZLLIFB-FOWTUZBSSA-N 449.492 4.049 5 20 IIBD C[C@H]1CN(Cc2ccc(-c3nc(Cc4c[nH]c5ccc([N+](=O)[O-])cc45)no3)cc2)C[C@H](C)O1 547194441 RRXTVMBAHMSEQU-HOTGVXAUSA-N 447.495 4.326 5 20 IIBD O=C(Nc1cc(-c2ccsc2)nn1-c1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCO2 548845239 LJUUYSDZJZYDQL-UHFFFAOYSA-N 434.433 4.490 5 20 IIBD COc1ccc(-c2cc3nc(CN[C@@H](C)c4cccc([N+](=O)[O-])c4)[nH]c(=O)c3s2)cc1 551264717 MJAAITUUJQZPBH-ZDUSSCGKSA-N 436.493 4.419 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCc1cnc(-c2ccc(Cl)cc2)s1 551469087 CSZDNHLRTJSLFL-UHFFFAOYSA-N 444.900 4.243 5 20 IIBD CC(=O)N(c1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1)[C@@H]1C[C@@H]1C 563471575 FPBBMSFNZCGUKV-TVQRCGJNSA-N 438.303 4.432 5 20 IIBD CCCN(C)C[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cccs2)C1 569556841 JFPLPTVGHYIELY-QGZVFWFLSA-N 440.573 4.131 5 20 IIBD Cc1cc(CN(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@H]2CCCO2)ccc1F 571932822 MMPKIPBBCGDIBC-LJQANCHMSA-N 425.464 4.116 5 20 IIBD Cc1cc(Cc2noc(-c3cnc4ncc(Br)cc4c3)n2)ccc1[N+](=O)[O-] 589136198 YTYOBEJXGXRUSP-UHFFFAOYSA-N 426.230 4.250 5 20 IIBD C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 590060481 RRKSWFOPHQCGSS-INIZCTEOSA-N 438.553 4.388 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 603642947 OITGKARPDLEOBV-UHFFFAOYSA-N 427.244 4.013 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 604466734 ZGAGETMMDPEXPD-KGLIPLIRSA-N 438.311 4.312 5 20 IIBD CN(Cc1ccc(C(F)(F)F)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl 608830688 DGWKZHGMKGNKNH-UHFFFAOYSA-N 438.793 4.449 5 20 IIBD Cc1cccc(COc2ccc([C@H](C)NC(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 609045528 SKNJKPCVRMGZBB-SFHVURJKSA-N 447.491 4.089 5 20 IIBD COc1ccc(CC(=O)N[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)cc1[N+](=O)[O-] 609330900 DQFIOTCHVHHMHF-VWLOTQADSA-N 432.476 4.377 5 20 IIBD Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 609997865 XTYMFFOCVADKKS-VFNWGFHPSA-N 429.904 4.286 5 20 IIBD COC(=O)Cc1sc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 610041793 CGYBTXSMQWUIGY-UHFFFAOYSA-N 439.493 4.350 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCO[C@H](c2ccccc2Cl)C1 610063621 DCKRBROMNPTTAL-INIZCTEOSA-N 425.666 4.224 5 20 IIBD CS(=O)(=O)[C@H]1CCC[C@@H](NCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 610137666 VUISACOWQIXORN-AEFFLSMTSA-N 438.933 4.486 5 20 IIBD CC(=O)N[C@@H](C)CCc1ccc(C(=O)COc2ccc(Br)cc2[N+](=O)[O-])cc1 610219135 AOOZTPQATVLZGQ-ZDUSSCGKSA-N 449.301 4.076 5 20 IIBD COc1cc(CCc2cc(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)n[nH]2)cc(OC)c1 612546324 RITMQLPZFDHHRG-CYBMUJFWSA-N 442.447 4.002 5 20 IIBD Cn1cnc([N+](=O)[O-])c1Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1 619677920 SIRWNQHTNRLEKJ-UHFFFAOYSA-N 426.889 4.440 5 20 IIBD O=C(OCc1cc(=O)oc2cc3c(cc12)CCC3)c1cc([N+](=O)[O-])ccc1Br 725984409 BHMBTAWAYDHQRF-UHFFFAOYSA-N 444.237 4.309 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)c2ccccc2)cc1 726646655 CETVYRWLRZRIED-JOCHJYFZSA-N 436.468 4.030 5 20 IIBD CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 727567007 UKXWWBAXWVAZJU-KGLIPLIRSA-N 428.441 4.064 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C(=O)Nc1ccccc1-c1ccccc1 727569312 XDDHBDQKAPGCBQ-OAHLLOKOSA-N 448.431 4.217 5 20 IIBD O=[N+]([O-])c1cc2c(cc1S(=O)(=O)Oc1ccc3oc4ccccc4c3c1)OCCO2 728291355 WBLLEPGEVRUTGK-UHFFFAOYSA-N 427.390 4.033 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCC(=O)N(Cc2ccccc2)C(C)(C)C)cc1SC 728650133 DCMUFUSGGBHCLW-UHFFFAOYSA-N 446.525 4.309 5 20 IIBD COc1ccc(CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])c(C(F)(F)F)c1 732028594 ANXCCDVNZNEUFB-UHFFFAOYSA-N 440.346 4.231 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@@H]1CCc2c(Br)cccc21 732036226 SHNMONCJAHKAQS-CYBMUJFWSA-N 447.257 4.453 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)cc1Br 732985402 JBVCJQWQOGNIBR-HNNXBMFYSA-N 447.257 4.161 5 20 IIBD COCc1cccc(OC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)c1 733074250 VKNRQWJIBHYYEV-UHFFFAOYSA-N 434.448 4.257 5 20 IIBD C[C@@H](c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1)N1CCOCC1 733761886 YCHMXKTXOJSRQO-ZDUSSCGKSA-N 434.290 4.003 5 20 IIBD Cc1ccc(OCc2cccc(C(=O)O[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)c2)cn1 734056618 BIXZHEROZSYEQA-QGZVFWFLSA-N 449.463 4.370 5 20 IIBD O=C(c1ccc(C2SCCCS2)cc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 736173087 CSHHDDOMVYKOCF-MRXNPFEDSA-N 430.555 4.185 5 20 IIBD CC(C)(NC(=O)c1cccc(Cl)c1)C(=N)NOCc1ccc(Cl)cc1[N+](=O)[O-] 736610127 QZHHBGAWDWOIFT-UHFFFAOYSA-N 425.272 4.109 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 742514201 CPJYNIVHHGPYNN-QGZVFWFLSA-N 437.924 4.500 5 20 IIBD CCO[C@H]1C[C@H](OC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C12CCCCC2 744226890 NLRRZFJQYWRAQH-ROUUACIJSA-N 446.529 4.159 5 20 IIBD CCCC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1 744615449 RIHKBZYXDZGXDP-HNNXBMFYSA-N 437.452 4.103 5 20 IIBD COc1cc(COC(=O)c2c(C(C)C)nn(C)c2Cl)c([N+](=O)[O-])cc1OC(F)F 745188861 BJCGNKILYFSLQM-UHFFFAOYSA-N 433.795 4.072 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 746264982 QCGUJTVORMPWIJ-IRWQIABSSA-N 436.867 4.269 5 20 IIBD COc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 747123200 FDCVCVZYJSRRHI-SECBINFHSA-N 446.765 4.460 5 20 IIBD Cc1c(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748623034 ISGDLRYNJPTKOK-ZDUSSCGKSA-N 440.456 4.387 5 20 IIBD Cc1c(C(=O)O[C@H](C(=O)NC2CCCCCC2)C(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748948296 PHCKEQRPXSHYQA-IBGZPJMESA-N 435.477 4.140 5 20 IIBD CCOC(=O)c1cccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2-c2cccs2)c1 749254844 LVVSLDCCIXRHSU-UHFFFAOYSA-N 433.463 4.268 5 20 IIBD CCn1c(SC[C@H](O)c2cccc([N+](=O)[O-])c2)nc2sc3c(c2c1=O)CCCC3 749642555 WZXTUHUCLLPYLK-HNNXBMFYSA-N 431.539 4.091 5 20 IIBD Cc1cccc2oc(CCNC(=O)c3cc(Br)cc([N+](=O)[O-])c3Cl)nc12 750891236 XDLBBYBSFNCCOO-UHFFFAOYSA-N 438.665 4.433 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Br)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 751123297 WOAXBIKHKGOWQL-INIZCTEOSA-N 437.265 4.318 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@](COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)(C(F)(F)F)C1 751883659 BZCDCBVZCQBQIP-MBNRZODZSA-N 444.406 4.341 5 20 IIBD Cc1nn(C(C)(C)C)cc1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 752176592 GXQPWJJWESGJHL-NSHDSACASA-N 442.394 4.058 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Br)c1ncccc1OCC(F)(F)F 752183981 JUFZEPGYDUABPR-UHFFFAOYSA-N 435.152 4.050 5 20 IIBD COc1cc(F)c([C@@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1OC 755011104 FPRMHZNWXKULSA-MRVPVSSYSA-N 445.216 4.144 5 20 IIBD COc1ccc(C(=O)COC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1Br 755069724 WZHFMDGUHURKMV-SNVBAGLBSA-N 440.221 4.035 5 20 IIBD CCOc1cc(COC(=O)CCc2nc(-c3ccc(F)c(C)c3)no2)ccc1[N+](=O)[O-] 755532976 ZJKWQNBGFXUECH-UHFFFAOYSA-N 429.404 4.167 5 20 IIBD CCn1ncc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1-c1ccccc1 755721731 HOXYEWPFXGYIOY-ZDUSSCGKSA-N 442.859 4.316 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 756747852 NGAVGSVQNCCPDN-STQMWFEESA-N 434.518 4.230 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Oc1ccccc1C(=O)NCc1ccccc1 759210815 BCECMGBGWAELMV-UHFFFAOYSA-N 429.432 4.154 5 20 IIBD Cc1cccc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1F 761287627 KYKVXBNPUZDAFI-LBPRGKRZSA-N 429.429 4.350 5 20 IIBD O=C(N[C@H](C(=O)O)c1ccc2ccccc2c1)c1cc(F)cc([N+](=O)[O-])c1Br 762212745 UCKLVPUUPGLHBW-KRWDZBQOSA-N 447.216 4.205 5 20 IIBD COc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c1 763120153 UPKTXARKYMMUFP-QHCPKHFHSA-N 445.475 4.461 5 20 IIBD Cc1nn(CN2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)c2ccc([N+](=O)[O-])cc12 765029170 NLRLIFKTFOUDSB-UHFFFAOYSA-N 447.539 4.114 5 20 IIBD COc1ccc(CSCC(=O)N2Cc3ccc(Br)cc3C2)cc1[N+](=O)[O-] 765193610 CQJZUPRBWUAPJY-UHFFFAOYSA-N 437.315 4.142 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])OCc1ccc(Oc2ccccc2)nn1 766099851 HAFDSHBDBKEOGJ-UHFFFAOYSA-N 429.816 4.343 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(C(=O)O)c(F)c2)cc1 767207434 SSSUCVNIUQVQDG-UHFFFAOYSA-N 426.356 4.485 5 20 IIBD Cc1ccc(-c2nnc(S)n2CCC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 769375089 NCZZGMJGPYUXTH-UHFFFAOYSA-N 437.525 4.032 5 20 IIBD COc1ccccc1[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)c1ccco1 769444366 BRQOVIZSOBKXMN-IBGZPJMESA-N 436.873 4.226 5 20 IIBD CSCC[C@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 772489962 PEORRLRUJVHDNO-NSHDSACASA-N 425.557 4.004 5 20 IIBD O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(OCC(F)(F)F)cn1 773480629 HIHLESLLQICOSH-UHFFFAOYSA-N 435.152 4.050 5 20 IIBD C[C@@H](OC(=O)c1sc(Br)cc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl 773606080 YVXAVDGCCLTJQO-SSDOTTSWSA-N 433.667 4.256 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 775179653 OKQKTMWJKZROLT-JTDSTZFVSA-N 429.521 4.129 5 20 IIBD CC(=O)Nc1cc(C(=O)O[C@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)cc(C(F)(F)F)c1 778787397 MEEKGHHIONVGOH-SFHVURJKSA-N 437.374 4.008 5 20 IIBD CC[C@@H]1C[C@@H](C(=O)O[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CCO1 780150495 QVKIICHZOCWPJE-WAOWUJCRSA-N 426.469 4.331 5 20 IIBD O=C(O[C@@H]1CCN(c2cccc(Cl)c2)C1=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 781269423 VCWYDUJOYDRKHG-OAQYLSRUSA-N 432.863 4.297 5 20 IIBD COc1ccc(NCc2ccc([N+](=O)[O-])cc2Cl)cc1S(=O)(=O)N1CCCCC1 782211678 GGNYYRPJVRNVSK-UHFFFAOYSA-N 439.921 4.044 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)c1F 782481378 BNLDLPMJRAXILL-UHFFFAOYSA-N 439.371 4.309 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 783309242 MJOSHEHWRSAEAL-LLVKDONJSA-N 444.900 4.496 5 20 IIBD COc1ccc(-c2noc([C@@H](C)OC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 783704815 WARKYALNFBAVKJ-GFCCVEGCSA-N 447.831 4.380 5 20 IIBD O=C(NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)c1cc(F)ccc1[N+](=O)[O-] 784119789 ATGTWHPESUEABI-UHFFFAOYSA-N 426.275 4.435 5 20 IIBD O=C(OCc1ncc(Br)s1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 785020163 LLONXEPUDXJBJV-UHFFFAOYSA-N 426.273 4.294 5 20 IIBD O=C(NC[C@H](C(=O)OCc1ccccc1)c1ccccc1)c1cc(F)c(F)cc1[N+](=O)[O-] 787987518 RIFLCKRAOBGVDA-SFHVURJKSA-N 440.402 4.130 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)c1F 788300899 ZGIPATATKYHDKI-UHFFFAOYSA-N 449.504 4.248 5 20 IIBD CC(C)(C)[C@@H]1C[C@H](NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCO1 790798564 CRLCXSQJEFQFFX-PXAZEXFGSA-N 440.338 4.019 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCO[C@@H](c2ccc(F)cc2Cl)C1 790940834 PUDVPCKJRHWNLF-QGZVFWFLSA-N 431.222 4.322 5 20 IIBD CC(C)(C)OC(=O)NC[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(C)(C)C 799089778 WPMBUNGFSFQAPO-FQEVSTJZSA-N 437.540 4.351 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 802517292 FEFVTYBMEGXFOY-UHFFFAOYSA-N 449.511 4.192 5 20 IIBD CCCc1c(NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)cnn1-c1cccc(C)c1 804626976 XGZVMSQOUHDFED-UHFFFAOYSA-N 425.464 4.499 5 20 IIBD CC(=O)c1oc2cc(C)ccc2c1CC(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 805662547 DHJUQWNJFUPTQP-HNNXBMFYSA-N 438.436 4.273 5 20 IIBD Cc1sc(S(=O)(=O)Nc2ccc(Cl)c(SC(=O)N(C)C)c2)cc1[N+](=O)[O-] 808117349 OKSVTXHLSZQDPU-UHFFFAOYSA-N 435.936 4.193 5 20 IIBD CCN(C)C(=O)CSc1ccc([C@H](C)OC(=O)Cc2cccc([N+](=O)[O-])c2C)cc1 809075490 JUJBYWZDVIBCLR-INIZCTEOSA-N 430.526 4.321 5 20 IIBD O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)cc1Cl 809826902 VDBTXYIMTXQQDO-CQSZACIVSA-N 439.852 4.444 5 20 IIBD CN1CCC(N(C[C@@H]2C[C@H]3C=C[C@H]2C3)C(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 813273730 KAJDNBDSHFXFKQ-ZOBUZTSGSA-N 448.361 4.106 5 20 IIBD COC[C@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] 815040143 YHZMDNVWIWCJSG-OAHLLOKOSA-N 437.276 4.049 5 20 IIBD Cc1cc(C(=O)NCc2nc(-c3ccc(OCc4ccccc4)cc3)no2)ccc1[N+](=O)[O-] 904423417 IVSZWXJRWSHKDN-UHFFFAOYSA-N 444.447 4.462 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H]1c1nc(-c2ccc(Br)cc2)no1 904709999 XFBKDPOTJPUIOZ-GFCCVEGCSA-N 449.286 4.446 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1F)/C(=C/c1cccs1)n1nnnc1-c1ccccc1 916667048 HJAQDJJYGOTNJB-PDGQHHTCSA-N 436.428 4.086 5 20 IIBD CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1 917327935 IPSYSFWRXWUQIW-UHFFFAOYSA-N 436.251 4.198 5 20 IIBD C[C@@H](NC(=O)c1ccccc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 917511886 ICABSRZKSOVYGR-CQSZACIVSA-N 433.420 4.067 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCC[C@H]1c1cccc(Br)c1 917785910 HIPKMZPEUWIILT-KRWDZBQOSA-N 429.274 4.071 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cc2cc(Br)ccc2[nH]1 918784017 KYSMQOOPMURCCV-UHFFFAOYSA-N 443.213 4.246 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=S)NC1CCN(Cc2ccccc2)CC1 920306703 JIWLHRZCHBSVQS-UHFFFAOYSA-N 432.977 4.219 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O[C@H](C(=O)N1CCCCC1)c1ccccc1 920776594 AEKIPCRGUIBVJU-YWZLYKJASA-N 446.887 4.313 5 20 IIBD Cc1ccccc1-n1nc(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c2c1CCC2 920912314 ZXTUZVUGCLRRRO-INIZCTEOSA-N 448.479 4.070 5 20 IIBD Nc1c(Br)cc(Br)cc1CN1Cc2ccc([N+](=O)[O-])cc2C1 1116605895 KMALKABOMMVVCP-UHFFFAOYSA-N 427.096 4.218 5 20 IIBD O=C(NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 1117726901 JUACQRJJLJQKJU-UEMOLPEBSA-N 445.523 4.096 5 20 IIBD CC1CCN(CCc2nnc(-c3ccc(N4C[C@@H](C)C[C@@H](C)C4)c([N+](=O)[O-])c3)o2)CC1 1257896838 DUHKDEMZAKSTET-HDICACEKSA-N 427.549 4.402 5 20 IIBD O=C(O[C@H]1CCCS(=O)(=O)C1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 1263380063 FTXMRQONOQHOMX-ZDUSSCGKSA-N 441.914 4.133 5 20 IIBD CC(C)(C)OC(=O)Nc1cc(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)ccc1F 1320632694 DTHSEGIBEPYHLH-UHFFFAOYSA-N 446.435 4.376 5 20 IIBD O=[N+]([O-])c1ccc(CN(Cc2ccc(-n3cncn3)cc2)C2CC2)c(Br)c1 1321780192 YLXWYCOUJACUFI-UHFFFAOYSA-N 428.290 4.103 5 20 IIBD Cc1sc2nc(CS[C@H](C)C(=O)N3Cc4ccc([N+](=O)[O-])cc4C3)nc(O)c2c1C 1339546842 XPXMKNNBHQTBRN-GFCCVEGCSA-N 444.538 4.086 5 20 IIBD CC(F)(F)C(=O)NC1(c2ccc(NC(=O)CCc3cccc([N+](=O)[O-])c3)cc2)CCC1 1786600090 ISHBLGMBFFALJJ-UHFFFAOYSA-N 431.439 4.317 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)CCC2)cc1)c1cccnc1 1787305779 NSXRRVUPTYQMKZ-UHFFFAOYSA-N 434.427 4.190 5 20 IIBD Cc1ccnc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(F)c4[N+](=O)[O-])CCC3)cc2)c1 1788714196 REZNORCVARNLNG-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD COc1cc(C)cc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])[nH]4)cc3)CCC2)c1 1790187201 FRTDWJQVQDZQJO-UHFFFAOYSA-N 448.479 4.301 5 20 IIBD Cc1cc(C)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2c(F)ccc([N+](=O)[O-])c2C)c1 1800699866 ORMXLAXRMOGKMZ-REPLKXPHSA-N 439.487 4.225 5 20 IIBD Cc1ccc([C@@H](C)C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(F)c2[N+](=O)[O-])C3)cc1 1801778299 OTPQQGLHOKEICX-OQIJWPOYSA-N 439.487 4.098 5 20 IIBD Cc1cccc(C(=O)N2CCC3(CCCN(C(=O)c4ccc([N+](=O)[O-])o4)C3)CC2)c1Cl 1804650047 OFWWZPYLAVWJSP-UHFFFAOYSA-N 445.903 4.308 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CC=CCC2)[nH]n1 1823502887 GAJLNAZWDFWILT-MDFWECQCSA-N 449.511 4.380 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC2(CCCN2C(=O)c2ccc(Cl)o2)C1 1843607677 OORGTCHNEWBARG-UHFFFAOYSA-N 445.884 4.187 5 20 IIBD C[C@@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1Cl 9849088 OFUNYJBITCXWCZ-MRVPVSSYSA-N 445.628 4.334 5 20 IIBD C[C@H]1CCc2ccccc2N1C(=O)COC(=O)Cn1c2ccccc2c(=O)c2ccccc21 10723504 NAABRWLMDTWMAO-SFHVURJKSA-N 440.499 4.066 5 20 IIBD CC(C)(Oc1ccc(Cl)cc1)C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 11482103 ITZKMEBAARKLFH-UHFFFAOYSA-N 427.240 4.241 5 20 IIBD CC(C)c1ccc(-c2nc(CC(=O)OCc3ccc(C(N)=O)cc3[N+](=O)[O-])cs2)cc1 16117111 WCZHOUALIGJCSJ-UHFFFAOYSA-N 439.493 4.227 5 20 IIBD Cc1cccc(-c2nc(CC(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)cs2)c1 17229834 OYEPZYSRWLMZHC-AWEZNQCLSA-N 425.466 4.140 5 20 IIBD COc1cc(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1OC(C)C 17536151 XONOMEOJOFRJOX-ZDUSSCGKSA-N 427.413 4.359 5 20 IIBD COc1ccc([C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)c2c[nH]c3ccccc23)cc1 18188137 SSKHMZLOPBWBHQ-QFIPXVFZSA-N 445.475 4.412 5 20 IIBD C[C@@H](OC(=O)c1cccc(Cl)c1N)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 18404620 VPSXVHYZDQDPDI-MRVPVSSYSA-N 431.754 4.033 5 20 IIBD CCOc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2C(C)C)c([N+](=O)[O-])cc1OC 18613515 HPZRXCXENPGNTD-AWEZNQCLSA-N 430.457 4.310 5 20 IIBD Cc1cc(=O)c(C(=O)N[C@@H](C)c2cccc3ccccc23)nn1-c1ccccc1[N+](=O)[O-] 21901991 RNMCZJLQIDKUNI-INIZCTEOSA-N 428.448 4.093 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cc3oc4ccccc4c3cc2OC)c([N+](=O)[O-])c1 23390929 ZMGYCRFJYSIDRG-UHFFFAOYSA-N 428.422 4.312 5 20 IIBD CCOCCOc1c(Cl)cccc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 62918639 YJKNACZCPPCSOC-UHFFFAOYSA-N 430.848 4.102 5 20 IIBD COC(=O)c1cc(C(=O)Nc2cccc(COCCc3ccccc3)c2)cc([N+](=O)[O-])c1 65092685 QGPMJEFZIXNNEA-UHFFFAOYSA-N 434.448 4.393 5 20 IIBD Cc1ccc(NC(=O)[C@@H]2CCCN(c3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)C2)nc1 302189713 XXQUSLUZYHPXBX-LJQANCHMSA-N 447.495 4.127 5 20 IIBD CCOc1ccc2c(c1)[C@H](Nc1cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c1Cl)CCO2 302462091 VHRWPNLLOQSMNA-QGZVFWFLSA-N 442.859 4.129 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1cccc(NC(=O)c2cccc(F)c2)c1 302661878 PETKPIYCVMPFCL-UHFFFAOYSA-N 443.456 4.002 5 20 IIBD Cc1c(C(=O)N(C)Cc2ccccc2-c2ccccc2)nnn1-c1cccc([N+](=O)[O-])c1 303110645 KTLNADHRGFKLCW-UHFFFAOYSA-N 427.464 4.423 5 20 IIBD CCCn1ccc2ccc(NC(=O)C(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)cc21 427862943 XUNKUCPLJOGRFP-UHFFFAOYSA-N 448.401 4.233 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(CO)c1)N[C@H](c1ccccc1)c1cccc(Cl)c1 428070777 NVYCSWWAPXNKRF-JOCHJYFZSA-N 426.856 4.025 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCC[C@@H](OCC2CC2)C1 428110917 CXBDYZRTUXIPFM-CQSZACIVSA-N 439.299 4.119 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCCSc2ccc(Cl)cc21 430435740 HLPPDIPYLQJZCO-UHFFFAOYSA-N 447.900 4.465 5 20 IIBD O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 431504515 GAHLFXOIKHBHNP-CYBMUJFWSA-N 435.249 4.232 5 20 IIBD COc1ccc([C@@H]2NC(=O)N([C@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1Br 431950566 MBCGCJUKCSSIBJ-DIFFPNOSSA-N 448.273 4.028 5 20 IIBD Cc1ccc(NC(=O)C(=O)N[C@H](C)c2cccc(OCc3ccccc3)c2)cc1[N+](=O)[O-] 434559471 ZIQDROAXRCFOHB-QGZVFWFLSA-N 433.464 4.298 5 20 IIBD C[C@@H](CCc1ccco1)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435526200 HBMLYRYRAUSVNK-ZDUSSCGKSA-N 445.522 4.477 5 20 IIBD C[C@H]1C[C@H](C)CN(CCCNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 435997898 DPWPZJWQDBIQGE-GJZGRUSLSA-N 427.495 4.057 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N(CCc1ccccn1)Cc1ccncc1 436371721 YNPAULNRDWNYJG-UHFFFAOYSA-N 443.410 4.263 5 20 IIBD CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC1CCN(C(=O)c2ccccc2O)CC1 436576417 LFOAEAJQGNIXHI-INIZCTEOSA-N 429.542 4.066 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(OCc2ccccc2C)c1 440332665 RNTBPLZSOFZJJR-UHFFFAOYSA-N 435.436 4.068 5 20 IIBD CCCN(C(=O)Cc1csc(NC(=O)c2cccs2)n1)c1cccc([N+](=O)[O-])c1 441447600 DWZCEUMGDFGIRD-UHFFFAOYSA-N 430.511 4.351 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCOc2c(Br)cccc21 441519531 DDDPPEXBLSRDMB-UHFFFAOYSA-N 431.164 4.415 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H](c1c[nH]c2ccccc12)C(F)(F)F 443457559 ZAIWWIABSZEOJY-QGZVFWFLSA-N 427.404 4.275 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1C 446486867 XZSDHUYZVNQPKN-UHFFFAOYSA-N 435.278 4.124 5 20 IIBD O=C(NCc1cnn(-c2ccc(Br)cc2)c1)c1ccc(Cl)cc1[N+](=O)[O-] 446613442 VAXUDFDXAWEHBH-UHFFFAOYSA-N 435.665 4.126 5 20 IIBD CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 447673551 YVSMHKGCMHWCHK-NEPJUHHUSA-N 438.397 4.165 5 20 IIBD Cc1cc(C(=O)N2CCN([C@@H](C)c3ccc(Br)cc3)CC2)ccc1[N+](=O)[O-] 460587455 QGBQIVRHKLNBNR-HNNXBMFYSA-N 432.318 4.185 5 20 IIBD C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 461301225 LEWYQZHKTNYMPS-AUUYWEPGSA-N 427.432 4.032 5 20 IIBD Cc1noc2nc(-c3ccccc3)cc(C(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)c12 461407286 ZZZRHDSOSUMQIV-UHFFFAOYSA-N 430.420 4.141 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)c1nnc(CC2CCCCC2)n1C[C@H]1CCOC1 461704421 QXKBTTVIBQTUOP-HXUWFJFHSA-N 427.549 4.025 5 20 IIBD CCOC(=O)c1sc(N(C(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)C2CC2)nc1C 462503364 PSGMSCYCXUSKFC-HNNXBMFYSA-N 431.514 4.301 5 20 IIBD O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 462627695 PXCAYCYVTFBQHP-JCNLHEQBSA-N 441.285 4.219 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCOc1ccccc1-c1ccccc1 464024323 OIPJBSDKURQGDS-UHFFFAOYSA-N 433.464 4.012 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C)c(OCC(=O)N2CCCCC2)c(C)c1 464724384 RFUMHGZUHMFMQO-UHFFFAOYSA-N 439.512 4.418 5 20 IIBD C[C@H]1CCN(CCOc2ccc(NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)cc2)C1 465195317 NBQKXRXITZHKKI-DLBZAZTESA-N 429.542 4.435 5 20 IIBD CC[C@@H](Nc1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-])C1CCOCC1 470872083 IKIMVAPAXPVCCB-GXOAENINSA-N 439.578 4.069 5 20 IIBD CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)c1c(OCC)cccc1[N+](=O)[O-] 471053454 OQZIMJNWVHXZFB-UHFFFAOYSA-N 441.484 4.271 5 20 IIBD C[C@H](SCC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1nc2ccccc2[nH]1 472084146 OGKUTZWNYHMXAP-HNNXBMFYSA-N 440.525 4.335 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1 472537081 GAHAJDLYMXIUEW-QGZVFWFLSA-N 433.848 4.293 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(N[C@@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)cc2N1 473915186 ZBPIEZMROOENMX-CYBMUJFWSA-N 435.267 4.004 5 20 IIBD COc1cccc(Cl)c1-c1noc(C)c1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 474283465 DWOCHLQZKCVGBS-UHFFFAOYSA-N 430.848 4.062 5 20 IIBD COc1c(C(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cccc1[N+](=O)[O-] 474789983 HQHXQRXZCBDZRG-INIZCTEOSA-N 438.267 4.154 5 20 IIBD COc1ccc(N(CCC(C)C)C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 477919855 XYZKLSULKAZDPW-UHFFFAOYSA-N 433.892 4.066 5 20 IIBD Cc1sc(NC(=O)COc2ccc(I)cc2[N+](=O)[O-])c(C)c1C 478896209 GYIWSMWTUSYJPG-UHFFFAOYSA-N 446.266 4.204 5 20 IIBD Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] 481685766 QGPBSSDMVRJEEU-UHFFFAOYSA-N 429.274 4.124 5 20 IIBD COC(=O)COc1ccc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1 482438761 ZXKSCWYZOJBELE-UHFFFAOYSA-N 435.436 4.011 5 20 IIBD CCc1c(NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)cnn1-c1ccc(Cl)cc1 482685267 WZMQVXITMSIVKR-UHFFFAOYSA-N 430.848 4.266 5 20 IIBD Cc1c(CNC(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)cccc1[N+](=O)[O-] 484163610 PXSYWGFIIFYVBA-UHFFFAOYSA-N 445.541 4.472 5 20 IIBD CCCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCc2ccccc21 484858209 OTCDYGWARDQEAB-QGZVFWFLSA-N 433.411 4.061 5 20 IIBD Cc1ccc(-n2nc(C)cc2NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])nn1 486188723 FJXVZRUIDCOXQE-UHFFFAOYSA-N 444.451 4.019 5 20 IIBD C[C@@H](NC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1cccc([N+](=O)[O-])c1 486212823 FLRGBYUZKVQUNF-DIFFPNOSSA-N 437.283 4.067 5 20 IIBD COCCN(Cc1scnc1C)c1c([N+](=O)[O-])cnc2ccc(Br)cc12 486476084 DJJLLCDAUOLJTL-UHFFFAOYSA-N 437.319 4.323 5 20 IIBD CC(C)n1c([C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)nc2ccccc21 487413481 OBEDHFLMTUMGDO-INIZCTEOSA-N 428.514 4.094 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)Nc1ncc(Cc2ccc(Br)cc2)s1 487736842 DVGBHIFUNNBKLC-UHFFFAOYSA-N 448.298 4.422 5 20 IIBD CCOC(=O)Cc1cccc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 488505356 YLCNBWYUFOAVKH-UHFFFAOYSA-N 425.363 4.041 5 20 IIBD Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cccc1N1CCNC1=O 488644785 OGACNTSBJDEULW-UHFFFAOYSA-N 445.479 4.297 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)cc1[N+](=O)[O-])c1ccccn1 488729102 DCPQHWNIRSBFGM-MGXMAZEZSA-N 428.492 4.479 5 20 IIBD CCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)[C@@H](c1ccc(Cl)cc1)c1ccccn1 497906808 ZMROJGLKKHNSOT-NRFANRHFSA-N 427.892 4.176 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1nc(-c2cc(Br)cs2)cs1 497917743 BVLQDLMHMWKQOC-UHFFFAOYSA-N 442.320 4.076 5 20 IIBD CC(C)N1CCN(c2ccc(C(=O)N3CCS[C@@H]3c3ccc([N+](=O)[O-])cc3)cc2)CC1 498152404 ISNMJLOHEMMLOY-HSZRJFAPSA-N 440.569 4.013 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cccc(-c2noc(C(F)(F)F)n2)c1 498560249 NIQSTDSXSWTAAP-UHFFFAOYSA-N 434.374 4.416 5 20 IIBD C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 500347968 VPQIWHFHAZJLDC-PBYMTVQHSA-N 443.466 4.204 5 20 IIBD CC(C)N(Cc1cccc(Br)c1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] 500680950 ACJUGYRGSUBIBH-UHFFFAOYSA-N 441.347 4.140 5 20 IIBD Cc1ccc(NC(=O)[C@H](SCc2cccc(C(N)=O)n2)c2ccccc2)c([N+](=O)[O-])c1 502779797 ZISCNZGVVYEANG-HXUWFJFHSA-N 436.493 4.010 5 20 IIBD C[C@H](CN(C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H](C)CO)c1ccccc1 503563055 PYGXDRIPCFJASD-CABCVRRESA-N 439.434 4.310 5 20 IIBD C[C@H](NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)[C@H](c1ccccc1)N(C)C 505588845 VTQREGFHBKRCJZ-LFVRLGFBSA-N 435.474 4.381 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1 506762273 RCIRTNMODXORMD-UHFFFAOYSA-N 435.402 4.299 5 20 IIBD Cn1cc(CNc2ccc(NC(=O)CC(F)(F)F)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 509949064 NRRCHJCXMIBEQR-UHFFFAOYSA-N 433.390 4.498 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](C)CC[C@@H]1c1ccccc1OC 510185065 LYFZKZXICJMKCC-OXQOHEQNSA-N 427.501 4.414 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCC[C@@H](CN3CCCC[C@H]3C)C2)cc1[N+](=O)[O-] 510475612 HXZMVNQMUJSOKV-ZBFHGGJFSA-N 438.366 4.392 5 20 IIBD CCOc1ccc2cc(C(=O)N[C@H](CC(=O)OC(C)C)c3ccccc3[N+](=O)[O-])[nH]c2c1 512212495 ASOYUKIJIXCWEY-LJQANCHMSA-N 439.468 4.288 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CN[C@]3(Cc4ccc(C(F)(F)F)cc4)CCOC3)n2)c1 513184048 PMVJZWAYKBBFLL-FQEVSTJZSA-N 448.401 4.155 5 20 IIBD CO[C@@H](C)CN(C)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 513252445 KRALTOSZUAVPTG-UGSOOPFHSA-N 436.306 4.004 5 20 IIBD CN(C)Cc1ccc(-c2ccccc2CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)cc1 518827744 LXSPUVPMIBYBRA-UHFFFAOYSA-N 448.523 4.202 5 20 IIBD CCOc1cc(NC(=O)N2CCN(c3ccccc3C)CC2)c([N+](=O)[O-])cc1OCC 519969763 KPOXSNYBLUAFAR-UHFFFAOYSA-N 428.489 4.055 5 20 IIBD CC(C)C[C@@H](CNC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)N[C@H](C)c1ccccc1 520393763 VZNYGMOBLZRVGV-AEFFLSMTSA-N 436.512 4.344 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 520540967 ZKUDDLMBSJCPHW-SNVBAGLBSA-N 429.429 4.386 5 20 IIBD COc1ccc([C@@H](Cc2ccc(F)cc2)NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 520627612 VXHSGHASABCFME-JOCHJYFZSA-N 444.484 4.146 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 522372474 HNPKHEATDTTWSQ-CQSZACIVSA-N 431.489 4.092 5 20 IIBD Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c(Br)c1 522486823 VXSIIOTWFRQEBS-SFHVURJKSA-N 446.301 4.217 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCSC[C@H]1c1ccc(Cl)cc1 522540873 KLXGPBUDWIORAO-IBGZPJMESA-N 428.901 4.364 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1(c2cccc(Br)c2)CCOCC1 523704122 OKBWSXVSVBOIGK-UHFFFAOYSA-N 434.290 4.493 5 20 IIBD CN(c1ccccc1)C1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 530978284 IAXDOLLOMVWRKI-UHFFFAOYSA-N 425.532 4.282 5 20 IIBD CCS[C@@H](C)c1noc(CN(C)c2ccc(I)cc2[N+](=O)[O-])n1 531964586 MHMDYVSTZZBUPV-VIFPVBQESA-N 448.286 4.033 5 20 IIBD COc1cc(-c2noc([C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)cc(OC)c1OC 532006768 SWKFNAFKWFKOFX-SNVBAGLBSA-N 435.820 4.464 5 20 IIBD C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccccc1NS(=O)(=O)c1cccs1 533150736 NIGCVJVUEHXTIG-LLVKDONJSA-N 437.524 4.010 5 20 IIBD COc1ccc(Br)cc1CN(C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 534729487 WBAHFYIWNJSCTJ-UHFFFAOYSA-N 432.274 4.048 5 20 IIBD O=C(O)COc1ccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1Cl 538471664 AYUCAZHLDBJZIJ-UHFFFAOYSA-N 433.829 4.087 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 538658267 SSVUOGZVBZJZPH-UHFFFAOYSA-N 440.419 4.099 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(NC(=O)c2ccc(Br)o2)c1 539971259 MEBPDEQZMFXPDT-UHFFFAOYSA-N 446.213 4.161 5 20 IIBD CCC[C@H](NCc1ccccc1S(=O)(=O)N1CCCCC1)c1cccc([N+](=O)[O-])c1 540168088 CXSNYDHKPDLHAL-NRFANRHFSA-N 431.558 4.400 5 20 IIBD NC(=O)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)cc1 542530271 AFTSWJWDQNIUMC-UHFFFAOYSA-N 443.525 4.384 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1nc(CN2CCCCC2)cs1 543252865 ZDJFDOXDALBGPE-UHFFFAOYSA-N 426.951 4.421 5 20 IIBD C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1O 543678047 FQTPUMCNLCYZFQ-SSDOTTSWSA-N 432.647 4.018 5 20 IIBD COc1cc(Cc2noc(-c3cc(N4CCCC4=O)ccc3Cl)n2)ccc1[N+](=O)[O-] 545763267 UQAZBJVDRJNAQX-UHFFFAOYSA-N 428.832 4.024 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(-c3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3)n2)cc1 546966101 PKCZOXWDZXFWBC-UHFFFAOYSA-N 440.412 4.252 5 20 IIBD C[C@@H]1CN(Cc2ccc(-c3nc(Cc4c[nH]c5ccc([N+](=O)[O-])cc45)no3)cc2)C[C@@H](C)O1 547194443 RRXTVMBAHMSEQU-HZPDHXFCSA-N 447.495 4.326 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc([C@@H]2CC(=O)N(Cc3ccccc3)C2)no1 547250095 ZPFYNDPYHAKKDK-DZGCQCFKSA-N 442.859 4.287 5 20 IIBD COc1ccc(CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H](C)C2CC2)c(OC)c1 549186639 MQBFNTJFZLZZQE-HNNXBMFYSA-N 438.484 4.463 5 20 IIBD O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 551818783 WXWVZLHNVNYLBQ-FPOVZHCZSA-N 431.492 4.238 5 20 IIBD CC[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OC(F)(F)F)cc1 552067404 IWQYSJKESOIMLX-KRWDZBQOSA-N 432.420 4.008 5 20 IIBD Cc1c(CNC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)oc2ccc(F)cc12 556517662 VJIYPVIQNBTQBN-UHFFFAOYSA-N 427.432 4.341 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCc1nnc(-c2ccccc2)s1 559547208 FHEZBCCJDKAKAT-UHFFFAOYSA-N 433.287 4.114 5 20 IIBD CN(Cc1nc(-c2cccs2)no1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 560709668 NAITYRCOCNBEOA-UHFFFAOYSA-N 427.467 4.102 5 20 IIBD COCCc1noc(-c2cc(Cl)ccc2NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)n1 565812100 VJBFJGZAAIUMFT-GFCCVEGCSA-N 430.848 4.229 5 20 IIBD COc1cccc([C@@H]2[C@H](NCCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCN2C2CC2)c1 570988012 HWNDEOLLKMAHBB-RCZVLFRGSA-N 448.523 4.369 5 20 IIBD Cn1c(-c2nc(-c3cc(Br)sc3Br)no2)ccc1[N+](=O)[O-] 576814841 QGIYOMRBMMMRRM-UHFFFAOYSA-N 434.069 4.237 5 20 IIBD CC(C)(NC(=O)c1ccccc1)c1noc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 578263347 AFKJQTPMYXZJTR-UHFFFAOYSA-N 435.465 4.433 5 20 IIBD Cc1ccc(C(=O)C2CCN(c3cc(CN4CCOCC4)ccc3[N+](=O)[O-])CC2)c(C)c1 581409435 KUGYRHHCMJCKQC-UHFFFAOYSA-N 437.540 4.143 5 20 IIBD COC(=O)c1cc(-c2nc(-c3cccc(OCc4ccccc4)n3)no2)cc([N+](=O)[O-])c1 582316113 ZETTXTDCXQYPEQ-UHFFFAOYSA-N 432.392 4.072 5 20 IIBD CC(C)(C(=O)Nc1ccc2nccnc2c1Br)c1ccc([N+](=O)[O-])cc1F 582451174 XUKGUXYKOYRAEC-UHFFFAOYSA-N 433.237 4.356 5 20 IIBD Cn1nc([N+](=O)[O-])cc1-c1nc(Cc2nc(-c3ccc(Cl)cc3Cl)cs2)no1 582810577 BVTXRFMHVSQIMH-UHFFFAOYSA-N 437.268 4.399 5 20 IIBD O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 603687895 GYZKYHKOJOLZKX-MRXNPFEDSA-N 440.374 4.346 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1nc2cc3c(cc2s1)OCCO3 604446720 CEDWXRRDYHPBDZ-VIFPVBQESA-N 435.845 4.035 5 20 IIBD COc1ccc2c(c1)OC[C@@H](C(=O)Nc1nc(-c3cccc([N+](=O)[O-])c3)c(C)s1)C2 604510916 NZHHOUKODFUXNZ-HNNXBMFYSA-N 425.466 4.225 5 20 IIBD CNc1ccc(C(=O)N2CCC[C@@H]2c2cc(Br)ccc2OC)cc1[N+](=O)[O-] 608777954 JFOSZBHFGOLPMV-MRXNPFEDSA-N 434.290 4.385 5 20 IIBD O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 609005753 WVBFSLOLCBZSGU-UHFFFAOYSA-N 441.793 4.054 5 20 IIBD O=[N+]([O-])c1ncccc1N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 609039126 LHAUQKWVLRMKPS-UHFFFAOYSA-N 431.212 4.098 5 20 IIBD CC(=O)N(Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(C)C 609725888 GAJCEFBESJYQHG-CQSZACIVSA-N 433.892 4.411 5 20 IIBD CC1CCN(Cc2csc(NC(=O)c3ccc([N+](=O)[O-])cc3Br)n2)CC1 610061614 IIKJOVVPKKEFHP-UHFFFAOYSA-N 439.335 4.298 5 20 IIBD COc1ccc([C@H]2CCCN2C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])cc1OC 610102301 RDXUMNRLATYMLW-LJQANCHMSA-N 442.516 4.269 5 20 IIBD COc1cc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc([N+](=O)[O-])c1OC 610195085 QCCWATXWQCUCRI-ZDUSSCGKSA-N 427.482 4.242 5 20 IIBD O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 610424466 BJJVJSDSCHJOHD-UHFFFAOYSA-N 432.402 4.053 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 611529705 BGLQXPNWHWKORH-JOCHJYFZSA-N 445.479 4.092 5 20 IIBD CCCn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nc2sc3c(c2c1=O)CCC3 619801331 QLDAACHUFUSCRB-UHFFFAOYSA-N 429.523 4.240 5 20 IIBD COc1ccc(CC(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)c(Cl)c2)cc1[N+](=O)[O-] 727665686 UXVYEJADDINVKV-AWEZNQCLSA-N 445.903 4.453 5 20 IIBD COc1ccc(CC(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 727883465 NVKQZWJPPYWCIF-JTQLQIEISA-N 427.240 4.023 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)O[C@@H]2CCc3ccc(Cl)cc32)ccc1[N+](=O)[O-] 727961405 MMDGDMVPIUPVNM-WOJBJXKFSA-N 428.872 4.392 5 20 IIBD CC(C)[C@@H](CC(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccccc1 728640566 WKTPLBIMQINNQY-QGZVFWFLSA-N 442.468 4.068 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1SC 728649799 QLFYAJFSAMNIQA-CQSZACIVSA-N 432.498 4.435 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)CCCc2ccc(Cl)c(Cl)c2)ccc1[N+](=O)[O-] 734734226 CKIYJNUIUJJHRE-UHFFFAOYSA-N 431.297 4.038 5 20 IIBD O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H]1C[C@H]1c1cccc2ccccc12 735350826 UYRLMBQRUPOEBX-PMACEKPBSA-N 432.432 4.393 5 20 IIBD Cc1c(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)nnn1-c1ccccc1Cl 735443383 PNQYWVKVCKYTDF-UHFFFAOYSA-N 439.815 4.149 5 20 IIBD COc1ccc(CCC(=O)OC2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)cc1Cl 739386854 ZLDWBZRDMNHTPJ-UHFFFAOYSA-N 448.903 4.410 5 20 IIBD COc1cccc(C(=O)OCc2ccc([N+](=O)[O-])cc2Br)c1OC(F)F 739578061 GILOBUUKEMZMBD-UHFFFAOYSA-N 432.173 4.324 5 20 IIBD COc1ccc2c(c1)OCC[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 741960495 RSAXCFCONGCVBL-FQEVSTJZSA-N 425.485 4.093 5 20 IIBD C[C@H](c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 742419720 MJIMSZVEIGQGIB-OAHLLOKOSA-N 428.920 4.024 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(Cc3ncc(-c4cccc(Br)c4)o3)CC2)cc1 743836242 QWANJBUDOKFBRJ-UHFFFAOYSA-N 443.301 4.335 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)C[C@@H]1CCN(Cc2ccccc2)C1 744426730 WKOWUNCXPVZPDR-AEFFLSMTSA-N 430.936 4.029 5 20 IIBD CCc1ccc(C(=O)OCc2csc(CC(=O)Nc3ccccc3C)n2)cc1[N+](=O)[O-] 747012497 WSPYHOBMKHIRDC-UHFFFAOYSA-N 439.493 4.460 5 20 IIBD CC(C)(C)OC(=O)N(CC1CC1)C1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 751037518 JYVCJGDIJCCVAY-UHFFFAOYSA-N 434.562 4.403 5 20 IIBD Cc1c(COC(=O)c2cnn([C@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)cccc1[N+](=O)[O-] 751920464 VRHPORJZZWCGAF-SFHVURJKSA-N 444.488 4.029 5 20 IIBD Cc1c(Br)cc(C(=O)O[C@@H](C)C(=O)Nc2c(F)cccc2F)cc1[N+](=O)[O-] 753429556 LMRBVKCDHIBCDB-VIFPVBQESA-N 443.200 4.128 5 20 IIBD CC(C)(C)OC(=O)N1CCc2c(NC(=O)CCOc3ccccc3[N+](=O)[O-])cccc21 753775935 HRGXJHOPZQRNBB-UHFFFAOYSA-N 427.457 4.300 5 20 IIBD O=C(OCCCNc1ncnc2ccccc12)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 754739730 ZZQWICUIFQTKCD-UHFFFAOYSA-N 435.465 4.321 5 20 IIBD O=C(NC1CC1)c1ccc(CN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C2CC2)cc1 757249355 YBEQZNPKXDMSKP-UHFFFAOYSA-N 442.903 4.015 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(CSC3CCOCC3)c2)c1F 760355225 JJCMKYRJHYWVGQ-UHFFFAOYSA-N 440.518 4.255 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NC3CCC(O)(c4ccccc4)CC3)cc2)c(C)c1[N+](=O)[O-] 760715323 NMNVIMUYCSJYTR-UHFFFAOYSA-N 448.523 4.017 5 20 IIBD C[C@H](C(=O)N1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 761997932 BVFRMSOMILSGIA-INIZCTEOSA-N 431.533 4.336 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H]1CCCc2nc(C)sc21 762637674 KYCTYPNUJCAQRJ-OAHLLOKOSA-N 436.511 4.249 5 20 IIBD CC(C)(C)c1ccc([C@H]2CCCN2C(=O)CNc2cc([N+](=O)[O-])ccc2NCCO)cc1 762782504 QOSSZELGANVYAF-JOCHJYFZSA-N 440.544 4.072 5 20 IIBD COc1ccc(Br)c(OC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)c1 763572216 WILZYSFXVRJMHO-UHFFFAOYSA-N 442.287 4.213 5 20 IIBD O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1c[nH]nc1-c1c(F)cccc1F 766869068 IUMSYAOKYAZERJ-UHFFFAOYSA-N 426.335 4.275 5 20 IIBD CC(=O)OCCCc1cccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c1 768427047 VDVMWRGHQBNIEX-UHFFFAOYSA-N 439.237 4.244 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cncc(-c2cccc(C)c2)c1 768677501 WMMHNTGRKTZQKU-OAHLLOKOSA-N 435.436 4.158 5 20 IIBD Cc1cccc(-c2cncc(C(=O)OCCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)c2)c1 768681792 PGBMAFBYUXCRLG-UHFFFAOYSA-N 433.420 4.120 5 20 IIBD CC(C)(CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(Cl)c1F 769265498 BUTWEMDONOSXBK-UHFFFAOYSA-N 428.247 4.073 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 769882957 SGUZZTRJEFDSIA-CYBMUJFWSA-N 426.385 4.396 5 20 IIBD Cc1ccc([C@@](O)(Cc2noc(C(F)(F)c3ccc([N+](=O)[O-])cc3)n2)C(F)(F)F)o1 770904675 SJVXSIRWDWCSLZ-HNNXBMFYSA-N 433.289 4.012 5 20 IIBD Cc1cc(S(=O)(=O)Oc2ccc(NC(=O)c3ccccc3)cc2)cc([N+](=O)[O-])c1F 771727164 ZBGSMRHFJGUPOY-UHFFFAOYSA-N 430.413 4.062 5 20 IIBD O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)[C@H](O)Cc1cccc(C(F)(F)F)c1 773470996 RIUREVHATNHUAL-OAHLLOKOSA-N 448.191 4.023 5 20 IIBD Cc1c(COC(=O)Cc2csc(NC(=O)c3ccccc3F)n2)cccc1[N+](=O)[O-] 775853233 ZKXSSZZFBXCHHN-UHFFFAOYSA-N 429.429 4.037 5 20 IIBD Cc1cc2nc(C)c(CCC(=O)O[C@@H](c3cccnc3)c3ccccc3[N+](=O)[O-])c(C)n2n1 776217726 KSMCHTWVMNXWDX-DEOSSOPVSA-N 445.479 4.223 5 20 IIBD CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 777305185 IVLUUPVFVVUTCE-JOCHJYFZSA-N 425.529 4.106 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 777645191 OIRUMNYBKBKXPS-UHFFFAOYSA-N 441.465 4.169 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnn(CN3CCO[C@@H](c4cccc(OC(F)F)c4)C3)c2)c1 777957696 JIYDZUICUQWQAN-HXUWFJFHSA-N 430.411 4.091 5 20 IIBD Cc1nn(-c2ccccc2)c2ncc(C(=O)O[C@@H]3CCN(c4ccc([N+](=O)[O-])cc4)C3)cc12 778791180 BGUKAYSPODTGEF-OAQYLSRUSA-N 443.463 4.073 5 20 IIBD O=C(COC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)Nc1c(F)cccc1F 781256027 JTPSDCXLEHZWEX-UHFFFAOYSA-N 444.340 4.033 5 20 IIBD O=C(COC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)NCCCSc1ccccc1 781259188 AEGRRZXUVROCNX-UHFFFAOYSA-N 446.528 4.137 5 20 IIBD Cc1c(C)n(C[C@H]2CCCO2)c2ncnc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c12 782574735 CBLJPEBIWNHJDP-CQSZACIVSA-N 429.864 4.041 5 20 IIBD O=C(Nc1cccc(COc2ccccc2)c1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 783294846 XEJDYDAUXPRNTN-UHFFFAOYSA-N 445.475 4.304 5 20 IIBD COCc1noc([C@@H](C)OC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1 785041008 YCPRHBAOHMACAV-LLVKDONJSA-N 433.804 4.488 5 20 IIBD Cc1cc(NC(=O)COc2cc([N+](=O)[O-])ccc2Br)n(-c2ccccc2F)n1 786744869 ZSLNGPATKWOERV-UHFFFAOYSA-N 449.236 4.008 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)CN1C[C@@H](c2cc(F)c(F)c(F)c2)CC1=O 787214177 RMSXUTJQOODXGK-LBPRGKRZSA-N 427.810 4.071 5 20 IIBD COc1cc(C(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)cnc1Br 788436716 LZGXOXZYCUCPLO-UHFFFAOYSA-N 440.681 4.471 5 20 IIBD O=C(c1ccc(F)cc1)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)CC1 791018611 VXEVXPGDJDKJSK-UHFFFAOYSA-N 435.249 4.232 5 20 IIBD COc1ccc(-n2c(C)nnc2S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 794456780 KNPFNLNOGLVMRZ-LLVKDONJSA-N 447.904 4.265 5 20 IIBD Cc1ccnc(Oc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)cc2)n1 795332943 XIKZYHUQUFZPTI-UHFFFAOYSA-N 438.824 4.079 5 20 IIBD O=[N+]([O-])c1c(Sc2nnc(-c3cccnc3)n2Cc2ccccc2)nc2ccccn12 799772896 NREWSGAAYQOFFM-UHFFFAOYSA-N 429.465 4.096 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1 812345147 ZMFLDDZIIXYYJW-UHFFFAOYSA-N 435.436 4.011 5 20 IIBD CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCC([C@H](O)c2ccc(OCC)cc2)CC1 812482167 TVMANNWGWALHRJ-JOCHJYFZSA-N 446.475 4.259 5 20 IIBD O=C(COC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 812588273 CKGLGDWUCTWNOD-UHFFFAOYSA-N 432.148 4.416 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl 813292349 PPEXTQXXSXDOLN-UHFFFAOYSA-N 439.921 4.093 5 20 IIBD C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 813638439 KIDJABXZNNPEPG-INIZCTEOSA-N 438.532 4.051 5 20 IIBD COc1cc(CNc2cc(C(N)=O)ccc2F)ccc1OCc1ccc([N+](=O)[O-])cc1 863997447 ABXSSNSGASUQFN-UHFFFAOYSA-N 425.416 4.033 5 20 IIBD COc1cc(COC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc(Cl)c1OC(F)F 892086202 NONMLHFLKFESMG-UHFFFAOYSA-N 446.746 4.432 5 20 IIBD COc1ccc2cc([C@@]3(C)NC(=O)N(Cc4ccc(Cl)c([N+](=O)[O-])c4)C3=O)ccc2c1 915660439 USQBBHQQCFVTRD-JOCHJYFZSA-N 439.855 4.377 5 20 IIBD CCCNC(=O)c1ccc(Cl)cc1NC(=O)c1cc(OCC)c(OC)cc1[N+](=O)[O-] 917741140 XOHQDEACMRBPGW-UHFFFAOYSA-N 435.864 4.048 5 20 IIBD CC(=O)Nc1cc2ccccc2cc1C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 918921020 XADONELKWBGYDP-UHFFFAOYSA-N 432.392 4.113 5 20 IIBD COc1ccccc1[C@@H](C)N(C)C(=O)COC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 919002241 YLQMOVNCESFDJN-OAHLLOKOSA-N 428.485 4.277 5 20 IIBD C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 920147905 IFWBBYRWSRKAOM-CQSZACIVSA-N 448.903 4.286 5 20 IIBD CCOc1ccc(N2C(=O)/C(=C\NCc3cccc([N+](=O)[O-])c3)c3ccccc3C2=O)cc1 921295491 OZDAAGCTZWKXAH-KQWNVCNZSA-N 443.459 4.311 5 20 IIBD O=[N+]([O-])c1cccc(/C(O)=C(/C(=S)Nc2cccc(F)c2F)[n+]2cccc(O)c2)c1 1116354095 RXHOKTHWAWBSAE-UHFFFAOYSA-O 430.412 4.189 5 20 IIBD Cc1ccc(CN2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)CC2)cc1 1319058047 RBQHZMNPUFQRFW-UHFFFAOYSA-N 436.556 4.242 5 20 IIBD Cc1ccc(NC(=O)c2c3c(cc([N+](=O)[O-])c2[N+](=O)[O-])OCCO3)c(Cl)c1Cl 1319555796 AFGRGKUMJXGPAK-UHFFFAOYSA-N 428.184 4.142 5 20 IIBD COc1ccc(CC(=O)Nc2ccc(C(=O)Nc3cccnc3)c(Cl)c2)cc1[N+](=O)[O-] 1322393934 RHVDGSJJVFXASO-UHFFFAOYSA-N 440.843 4.085 5 20 IIBD CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 1338193413 DZIURCIIYAGOEW-UHFFFAOYSA-N 440.500 4.124 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)[C@@H](C)n4cccc4)cc3)CCC2)ncc1[N+](=O)[O-] 1791787465 QMIRYGIKBLWDGI-QGZVFWFLSA-N 447.495 4.109 5 20 IIBD C[C@@H](Cc1ccco1)C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1 1791906788 AVDWPZBJBFSUMK-HNNXBMFYSA-N 437.452 4.407 5 20 IIBD C[C@H]1CCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 1797923038 SAGBQGYAWCSGJD-YGJKTCCFSA-N 441.553 4.498 5 20 IIBD Cc1cc(F)ccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C2 1803934223 IEBJWVIYNMTGNJ-NWKATUPTSA-N 437.471 4.008 5 20 IIBD CC(C)=CCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(F)c1[N+](=O)[O-])CC2 1822734242 DUMYBKGEDSHFSG-ZDUSSCGKSA-N 446.504 4.163 5 20 IIBD O=C(c1cccc(F)c1[N+](=O)[O-])N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2C2CC2)CC1 1824072799 PWGPPSVCWZLMSV-DYXWJJEUSA-N 443.519 4.013 5 20 IIBD Cc1cc(F)ccc1C(=O)N1CCCC12CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1C)C2 1846910259 VJGXTDRUGDVIIT-UHFFFAOYSA-N 445.878 4.135 5 20 IIBD Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)c2)cc1 3487242 ZHYWZAOKODEJDE-UHFFFAOYSA-N 440.477 4.085 5 20 IIBD O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl 11024415 VYGMEBVBTVKLID-UHFFFAOYSA-N 438.823 4.275 5 20 IIBD NC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2C2CCCCC2)c([N+](=O)[O-])c1 16545748 XAEFCRJXUIFVKR-UHFFFAOYSA-N 438.509 4.201 5 20 IIBD CCc1ccccc1NC(=O)CN(C)C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 17904683 IGPQTDLHPVMUGE-UHFFFAOYSA-N 438.528 4.104 5 20 IIBD Cc1ccc(-n2nc(C)c(NC(=O)COC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2C)cc1 23950702 OLZAZVZOOZVFJC-UHFFFAOYSA-N 442.859 4.155 5 20 IIBD Cc1c(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)nnn1-c1cccc([N+](=O)[O-])c1 24489311 SPMAEVQJCUNEHF-INIZCTEOSA-N 429.889 4.104 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(OCc2c(C)cc(C)c(C(C)=O)c2C)c([N+](=O)[O-])c1 24706991 ITLRDRFHTKYCBA-UHFFFAOYSA-N 448.541 4.332 5 20 IIBD C[C@@H](OC(=O)CSc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(N2CCCCC2)cc1 25059829 YGRJWGOXFGUZDB-MRXNPFEDSA-N 443.525 4.248 5 20 IIBD NC(=O)c1ccc(SCC(=O)Nc2ccccc2SC2CCCC2)c([N+](=O)[O-])c1 25265297 MWKCOOJXNDRHSL-UHFFFAOYSA-N 431.539 4.459 5 20 IIBD O=C(Nc1ccc(Cn2cnc3ccccc32)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 63991145 HVUQOJIYCUVMNC-UHFFFAOYSA-N 430.420 4.016 5 20 IIBD Cc1nccn1C[C@H](C)CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 64736626 OQECURKNFUAYSN-OAHLLOKOSA-N 441.919 4.431 5 20 IIBD O=C(NC1CC1)c1ccc(NCC2(c3cccc(Cl)c3)CCOCC2)c([N+](=O)[O-])c1 64931239 LBSGSBHQHYMIHT-UHFFFAOYSA-N 429.904 4.301 5 20 IIBD O=C(COc1ccc2ccccc2c1Br)NCCc1ccc([N+](=O)[O-])cc1 65123956 NVINZFCQZHDQBS-UHFFFAOYSA-N 429.270 4.248 5 20 IIBD COc1cc(OCC(=O)Nc2ccccc2CN(C)C2CCCCC2)ccc1[N+](=O)[O-] 66019125 PUYUURAUYYTNCQ-UHFFFAOYSA-N 427.501 4.385 5 20 IIBD COC(=O)c1cc(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(F)cc2)cc([N+](=O)[O-])c1 106225134 ICFOHPMWSHGZMM-UHFFFAOYSA-N 440.431 4.256 5 20 IIBD O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 216810223 CLGCPEDCBWXDMO-SFHVURJKSA-N 442.472 4.146 5 20 IIBD CC(C)(CCS(C)(=O)=O)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 236591297 DBWNQMCLHCRXML-UHFFFAOYSA-N 426.922 4.343 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 301294333 QTNDXCRUKLSFGA-UHFFFAOYSA-N 443.447 4.020 5 20 IIBD CS(=O)(=O)c1ccc(Nc2cccc(C[S@@](=O)c3ccccc3)c2)c([N+](=O)[O-])c1 301298613 QDGGWRNOJIYWEG-MUUNZHRXSA-N 430.507 4.050 5 20 IIBD CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1(C)C 303807186 HUSITWYJUYTVQM-IWMITWMQSA-N 426.517 4.439 5 20 IIBD C[C@H]1C[C@]1(NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 410377611 DTPYJNVOLMXIBJ-FKIZINRSSA-N 443.916 4.193 5 20 IIBD COc1cc(C)c(CN(C)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1OC 426280396 LNRIHJFGFCIINS-UHFFFAOYSA-N 441.406 4.281 5 20 IIBD C[C@H](c1cccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1)N1CCOCC1 431464864 MAJZWTRBCNAOOC-CYBMUJFWSA-N 434.290 4.003 5 20 IIBD CCc1cc(O)nc(-c2cccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)c2)n1 431562912 FEPDVUYONWLXLF-UHFFFAOYSA-N 443.257 4.335 5 20 IIBD CC(C)N(C)S(=O)(=O)c1ccc(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 433169571 RUPUKSODBHKKQP-NRFANRHFSA-N 431.558 4.136 5 20 IIBD Cc1ccc(-c2nn(Cc3cc([N+](=O)[O-])cc4c3OCOC4)cc2Br)cc1 433440653 UBJSCOITZASCIR-UHFFFAOYSA-N 430.258 4.444 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CC=C(c3ccc(Cl)cc3)CC2)cc1OC 434256810 PNQHZIJEPTZCTM-UHFFFAOYSA-N 446.887 4.212 5 20 IIBD COc1ccc(CNc2nnc(Sc3cc(C(F)(F)F)ncc3[N+](=O)[O-])s2)cc1 436267682 QWJYVQAFXRLDPX-UHFFFAOYSA-N 443.432 4.632 5 20 IIBD CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 436961318 GUGPIKZGGKOUSL-UHFFFAOYSA-N 442.449 4.139 5 20 IIBD Cc1cc(C)c(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1Br 437066736 AOTPQGJSEBXLCA-UHFFFAOYSA-N 446.301 4.104 5 20 IIBD C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 437158784 AVVMSJQLBYTFES-LBPRGKRZSA-N 443.372 4.411 5 20 IIBD Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)Cc1cccc([N+](=O)[O-])c1C 439295724 IVFADIHUZHSLMB-NRFANRHFSA-N 433.512 4.036 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 439999773 BZCBVYSJVZHLKU-UHFFFAOYSA-N 437.399 4.026 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@H](c4nc(C(F)(F)F)cs4)C3)n2)cc1 441087428 HMHINPPUTUGZMI-LBPRGKRZSA-N 439.419 4.500 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](CO)Cc1cc(F)c(F)c(F)c1 444422052 DUSKJALKTAXFBM-CYBMUJFWSA-N 442.459 4.095 5 20 IIBD CCOC(=O)c1sc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)nc1C 444602553 KJMZUURMMGAJKN-UHFFFAOYSA-N 443.431 4.153 5 20 IIBD CCOc1cc(CN(C)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)ccc1OC(F)F 444925839 APIRUOPFBCWUHY-UHFFFAOYSA-N 425.388 4.267 5 20 IIBD C[C@@H](c1ncc(-c2ccccc2)o1)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 460361601 HMEZAPCHJBOQRI-INIZCTEOSA-N 432.484 4.399 5 20 IIBD CC[C@H]1c2ccsc2CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 461582665 UZZPQKCQVMMSQC-BEFAXECRSA-N 439.541 4.465 5 20 IIBD Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 464054118 UISQLCMGLXKRCN-SJLPKXTDSA-N 429.904 4.081 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 464727159 KNMDECIXCDKXQR-UHFFFAOYSA-N 437.353 4.379 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(Cc3cc(Br)c4c(c3)OCO4)CC2)cc1 464783976 ANSUQVKYXBGDNZ-UHFFFAOYSA-N 435.274 4.129 5 20 IIBD O=C(N[C@H]1CCO[C@]2(CCOC2)C1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 466238852 BCVJBSUZPMCAPM-YCRPNKLZSA-N 448.928 4.467 5 20 IIBD COc1ccccc1-c1noc([C@@H](C)NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)n1 466533002 YRCIBNUULAPMRZ-SNVBAGLBSA-N 449.370 4.138 5 20 IIBD O=C(CCCNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])NC1CC1 466844585 WDKOLTQNZNYLFK-UHFFFAOYSA-N 433.917 4.188 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 468133457 YSMHWRXUCIHPOC-INIZCTEOSA-N 435.912 4.441 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1sccc1Br 468904113 KNIGCORLNFBHSM-UHFFFAOYSA-N 434.109 4.040 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])OC(C)C 472766409 GAMBNIDFWIIMET-HXUWFJFHSA-N 435.908 4.265 5 20 IIBD Cc1ccc(-c2noc([C@H](C)NC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)n2)cc1F 474462405 ZDLZKHNOHFQIDP-ZDUSSCGKSA-N 427.436 4.388 5 20 IIBD CCS(=O)(=O)c1ccc(CNCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)s1 475223640 IJDHPFJEBQUXPI-UHFFFAOYSA-N 436.511 4.008 5 20 IIBD CN1CC[C@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@@H]1c1ccc(Cl)c(F)c1 477006609 XFFILJRDDOQCBN-XCLFUZPHSA-N 430.867 4.291 5 20 IIBD CN(Cc1ncc(-c2ccccc2)[nH]1)C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 478498685 GTFKIUXLUYCQAY-UHFFFAOYSA-N 447.417 4.464 5 20 IIBD CCCCn1ccnc1-c1cccc(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c1 478637350 SQCPVPGCTSQRRY-UHFFFAOYSA-N 431.456 4.091 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccccc2N2CCCCC2)c(C(F)(F)F)c1 480068798 JUMQQLABMJSNQF-UHFFFAOYSA-N 443.447 4.082 5 20 IIBD CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 484029170 ZSWIMMSJKHBGEP-WOJBJXKFSA-N 428.533 4.122 5 20 IIBD Cn1c(COc2ccccc2Cl)nnc1SCc1nc2ccc([N+](=O)[O-])cc2[nH]1 484503967 SQDCXCRZXNFFLB-UHFFFAOYSA-N 430.877 4.124 5 20 IIBD O=C(c1nn(-c2ccccc2C(F)(F)F)cc1O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 484960298 QIFMLWNTRANEGD-UHFFFAOYSA-N 446.385 4.310 5 20 IIBD O=C([C@H]1COc2ccc(Cl)cc2C1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 486070583 PIUQRUJXZILGOL-CQSZACIVSA-N 428.794 4.390 5 20 IIBD Cc1c(C(F)(F)F)nn(C)c1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 486113651 DBMPWNUZJVWOII-UHFFFAOYSA-N 434.374 4.487 5 20 IIBD CSc1cccc(C(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1[N+](=O)[O-] 486238129 ZQNQOQRAVKTXIB-UHFFFAOYSA-N 436.415 4.451 5 20 IIBD CN(C)[C@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1cccs1 486383995 XRTAKKYLLBAVBL-HXUWFJFHSA-N 425.510 4.268 5 20 IIBD Cc1ccc(Cc2cnc(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)s2)cc1C 487472403 BNHMZHPZOKAUPJ-UHFFFAOYSA-N 434.481 4.092 5 20 IIBD CCc1cc(=NCc2cccc(C(=O)N[C@@H](C)CC)c2)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 487998927 ZEQGHEXDSZNYHB-INIZCTEOSA-N 433.512 4.177 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 488445140 IXUXSGLWRGSGCJ-AWEZNQCLSA-N 440.905 4.081 5 20 IIBD O=C(Nc1cccnc1-c1ccc(Cl)s1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 488709228 KGLVQZWOBSGYDG-UHFFFAOYSA-N 432.893 4.437 5 20 IIBD CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 489450621 PTFSTZGQVWGWTP-OAHLLOKOSA-N 441.513 4.213 5 20 IIBD O=C(NC[C@@H]1SCCc2ccccc21)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 489953457 LOSYENCTXXRSKN-NRFANRHFSA-N 427.526 4.178 5 20 IIBD COc1c(F)cc(S(=O)(=O)N(C)[C@H](C)c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] 490698136 AQDPVRTWESJXDK-SNVBAGLBSA-N 436.383 4.143 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(Nc2cnn(C)c2)c1 491133929 ULUMHEHDMSSFIH-UHFFFAOYSA-N 427.486 4.063 5 20 IIBD COc1cccc(OC)c1OC1CCN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 493249967 CFWFHVQYVYRKAB-MRXNPFEDSA-N 443.500 4.234 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 494420874 WODSDRSQNROPHH-ZWKOTPCHSA-N 441.381 4.472 5 20 IIBD O=C(Nc1nc(C2CCOCC2)cs1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 494441386 XRPNJCZQTLXOSF-UHFFFAOYSA-N 432.502 4.021 5 20 IIBD COCCN(C(=O)CCOc1ccc(F)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 498653260 FXTMTLOQPGTHOC-UHFFFAOYSA-N 445.472 4.306 5 20 IIBD C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 499489716 GEKBLIDJOZGIAJ-NSHDSACASA-N 441.431 4.024 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] 506903630 QBLINCJVBXEDAG-WBVHZDCISA-N 435.402 4.313 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CCCN2CCOCC2)CC1 507821261 BATJIVAKPVAUKI-UHFFFAOYSA-N 449.617 4.308 5 20 IIBD COc1cc(C(=O)N2C[C@H](C)c3ccccc32)c([N+](=O)[O-])cc1OCc1cscn1 509925042 CUAQLEZMULWFJG-ZDUSSCGKSA-N 425.466 4.403 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1nc(C2CC2)cs1 510497019 RUDCORWSAUGDBL-UHFFFAOYSA-N 429.239 4.094 5 20 IIBD O=C(NCCC(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1)c1ccc([N+](=O)[O-])cc1 511487571 MRTMWLXCSJTAGK-UHFFFAOYSA-N 448.306 4.337 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)Nc2ccccc2NCC2CCCCC2)cc1[N+](=O)[O-] 513672386 QWXVINQSKZQIBX-UHFFFAOYSA-N 431.514 4.243 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@@H](OCc3ccncc3)C2)c([N+](=O)[O-])c1 514662506 CAXVJEUFNRKUAM-ZJSXRUAMSA-N 446.507 4.269 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])NCc1cccc(NC(=O)c2ccc(F)cc2)c1 515672302 PLARJVPOHQHXST-UHFFFAOYSA-N 436.443 4.105 5 20 IIBD O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 518970385 CWMKSTBJVKPVPS-UHFFFAOYSA-N 425.404 4.416 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 520245388 ITRGHNYNWQJTEA-HZPDHXFCSA-N 438.450 4.322 5 20 IIBD CCOC(=O)C[C@@H](NC(=O)c1cc(C)ccc1[N+](=O)[O-])c1cccc(Br)c1 520881088 ACUZBZXZQGDIHW-MRXNPFEDSA-N 435.274 4.090 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 522341891 ZXOGLMZIHQOCQG-SNVBAGLBSA-N 437.239 4.035 5 20 IIBD Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1OCC1CCOCC1 525482410 PXHOPYJRAPTBLS-UHFFFAOYSA-N 434.514 4.126 5 20 IIBD COc1ccc(CC(=O)Nc2cc(Cl)ccc2-c2nc(C3CC3)no2)cc1[N+](=O)[O-] 531071040 LQPZIABWSVKKPJ-UHFFFAOYSA-N 428.832 4.365 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 531266206 LECUCLSHENJFQE-LJQANCHMSA-N 449.429 4.026 5 20 IIBD NC(=O)c1ccc(CN2CCC[C@@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)c([N+](=O)[O-])c1 532705761 LSSUKFBSTGEYGW-GOSISDBHSA-N 425.876 4.074 5 20 IIBD COc1cccc([C@@H](C)N2CCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC2)c1 533425360 BLORMJUHZNZSLN-GOSISDBHSA-N 436.512 4.180 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cn2)c(Br)c1 535616953 KXKZQNRWGHSZFI-UHFFFAOYSA-N 434.271 4.220 5 20 IIBD O=C(Nc1nncn1Cc1ccccc1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 535724473 SLCGJDMCCNQXKI-UHFFFAOYSA-N 428.452 4.099 5 20 IIBD COCc1nc(C)c(C(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)s1 536244336 OUYNTPHOUURLOW-UHFFFAOYSA-N 439.453 4.204 5 20 IIBD Cc1c(Br)cc(C(=O)NC[C@@H](C)c2nc(-c3ccccc3)no2)cc1[N+](=O)[O-] 536354984 TWLIFFXKCKZCRM-LLVKDONJSA-N 445.273 4.249 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccn(CC(F)(F)F)c1=O 539663251 LKLKDFSYWGCABY-UHFFFAOYSA-N 429.420 4.463 5 20 IIBD O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1Br 540442889 ZEOJNCGRCUBXDD-CVEARBPZSA-N 425.666 4.271 5 20 IIBD C[C@H](CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Oc1cccc(Br)c1 540609950 FBEZVENMVCDIOG-CQSZACIVSA-N 445.317 4.315 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 540769741 CCZNRPLCAOTUPM-UHFFFAOYSA-N 429.477 4.341 5 20 IIBD C[C@H](CN(C)C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1nccs1 542348055 FXONNZFKKJBOIQ-HUUCEWRRSA-N 425.514 4.495 5 20 IIBD C[C@H](C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl)c1ccc([N+](=O)[O-])cc1F 542611277 CHURPRAQXLAWCW-VIFPVBQESA-N 434.777 4.133 5 20 IIBD O=C(N[C@H]1CCN(CC(F)(F)F)C1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 543550306 RYNUWBMCMLWZDU-AWEZNQCLSA-N 431.480 4.244 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ncc(C2CCCCC2)s1 543856386 MYJZFAVSUGIYQM-UHFFFAOYSA-N 430.486 4.426 5 20 IIBD Cn1ccc(CCNC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)n1 544850365 WDLHGQUZBHVOED-UHFFFAOYSA-N 439.522 4.062 5 20 IIBD COc1ccc(Cc2noc(-c3cc(O)nc4ccc([N+](=O)[O-])cc34)n2)c(Cl)c1OC 547072723 MZBRBFQZZKEWEV-UHFFFAOYSA-N 442.815 4.160 5 20 IIBD COc1ccc(CN(CC2CCC2)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)c(OC)c1 549224017 MLTHOWWBDYVTAM-UHFFFAOYSA-N 429.473 4.455 5 20 IIBD O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1cnn(-c2ccc(C(F)(F)F)cc2)c1 552092777 IFAYWGIGOOQXPD-UHFFFAOYSA-N 427.342 4.600 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@H](CC(C)(C)C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 554668710 ZWJHQOQLSVHVIL-MRXNPFEDSA-N 433.892 4.489 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CN3CCOc4ccc(Br)cc4C3)co2)cc1 555131807 RLXPZPHXYICYIF-UHFFFAOYSA-N 430.258 4.407 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC(c2nncn2C2CC2)CC1 557418882 MVWDTGMFTDCWTA-UHFFFAOYSA-N 443.305 4.216 5 20 IIBD Cc1c(CNC(=O)C(=O)N[C@@H](C)c2ccc(Oc3ccccc3)cc2)cccc1[N+](=O)[O-] 560967983 QPWRCOWZTHMHDY-KRWDZBQOSA-N 433.464 4.189 5 20 IIBD COc1cc(C(=O)N2[C@H]3CC[C@@H]2CN(C)CC3)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 564612311 FSHPXOCRGNRAEZ-DLBZAZTESA-N 445.903 4.358 5 20 IIBD CC(C)Oc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)N(C)C)cc1 569250182 YWCLAKHGFPEFGV-IBGZPJMESA-N 439.434 4.434 5 20 IIBD CC[C@H](c1cccc(OC)c1)N(C)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 576096472 JINIDGMOWZAPME-IFMALSPDSA-N 439.512 4.126 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1c1nc(Cc2ccccc2[N+](=O)[O-])no1 576311593 QBSJZDDAJRZIGW-KRWDZBQOSA-N 442.859 4.208 5 20 IIBD CCN(Cc1ccccc1)C(=O)Cc1noc(-c2ccc3[nH]c4ccccc4c(=O)c3c2)n1 576907007 KMHFTOVOVZZFOK-UHFFFAOYSA-N 438.487 4.323 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 583697013 QELQBSZSCMXHNC-MUJYYYPQSA-N 445.422 4.072 5 20 IIBD Cc1cc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)n(-c2ccc(F)cc2)n1 585722549 AFNPPKDFONFAGT-UHFFFAOYSA-N 448.458 4.342 5 20 IIBD CCc1ccccc1OCC(=O)N(CCOC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603461429 RSHYGYXADAKRIN-UHFFFAOYSA-N 441.509 4.339 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N(Cc2cccnc2)c2ccc(F)cc2)cc1OC 603992342 POKHURCOHYVVKY-UHFFFAOYSA-N 425.416 4.383 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(Sc3nncs3)cc2)cc1[N+](=O)[O-] 604119184 QYOPCNVOHWMOGI-UHFFFAOYSA-N 448.551 4.478 5 20 IIBD Cc1cc(CN(C)C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)cc(C)c1OCC(F)(F)F 608805441 DTCCPXKVDMADMF-UHFFFAOYSA-N 442.438 4.015 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N(CCc1ccccn1)Cc1ccc(F)cc1 608881480 ZWAUVCAWGOEDHL-UHFFFAOYSA-N 445.454 4.200 5 20 IIBD Cc1ccc(C)c2sc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)nc12 609497644 SLBICEWTPFUAOU-LBPRGKRZSA-N 430.511 4.126 5 20 IIBD Cc1ccccc1COc1c(C)cc(CN(C)C(=O)Cn2cc([N+](=O)[O-])nc2C)cc1C 609652848 STWVPMLIGDNZCO-UHFFFAOYSA-N 436.512 4.263 5 20 IIBD O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCc2ccccc2CC1 609696161 JUVHQJRURNLCQV-UHFFFAOYSA-N 447.457 4.457 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCc2ccc(O)cc2CC1 609920903 OAAMXXJWOZSGDQ-UHFFFAOYSA-N 447.278 4.034 5 20 IIBD Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)o1 609978268 IHUFASVGIIEBBT-IBGZPJMESA-N 447.476 4.350 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1ccn(-c2cccc(Br)c2)n1 610046563 FJDAVYLUZREKNN-UHFFFAOYSA-N 443.301 4.296 5 20 IIBD COc1ccc(CCC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1Br 610046602 NGMHEZKPJNTNFF-UHFFFAOYSA-N 435.318 4.438 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCC1(c2cccs2)CCCCC1 610048772 DSFJAMSISAHJGB-UHFFFAOYSA-N 443.525 4.363 5 20 IIBD Cc1cccc2sc(C(=O)N3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)c(Cl)c12 610118574 ZAYSTTXMYJUOJW-UHFFFAOYSA-N 443.912 4.370 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(Oc3ccc(OC)cc3)nc2)c([N+](=O)[O-])cc1OC 610186378 OOBRGMFLVFBFRC-UHFFFAOYSA-N 439.424 4.450 5 20 IIBD COc1ccccc1N(C)C(=O)c1cc(C(=O)N(C)c2ccccc2OC)cc([N+](=O)[O-])c1 613105083 TUFFUPOOBQEDLO-UHFFFAOYSA-N 449.463 4.165 5 20 IIBD CCOC(=O)c1nnc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])s1 619655783 QDFHAJCDQCZJKY-UHFFFAOYSA-N 430.467 4.027 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1 726370971 ZHQHEERSQAVNBQ-UHFFFAOYSA-N 433.468 4.235 5 20 IIBD CCOC(=O)c1oc2ccccc2c1CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 726880799 DHGQSBNAIWHESD-CYBMUJFWSA-N 428.466 4.315 5 20 IIBD Cc1ccsc1CNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727476327 CZPWUXUSNCFTJJ-UHFFFAOYSA-N 428.436 4.015 5 20 IIBD C/C(=C\C(=O)N(C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1Cl 727628775 YIYDPFNNYPCEFU-PKNBQFBNSA-N 429.281 4.152 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1nc(-c2ccccc2OC(F)F)cs1 727716358 ZTFNSBQFJPBUKT-UHFFFAOYSA-N 439.371 4.476 5 20 IIBD COc1ccc(CNc2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])cc1OC1CCCC1 728569447 SOWTZERVYUJRMC-UHFFFAOYSA-N 431.445 4.246 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 730375985 AZSHAGGIGBUSSX-UHFFFAOYSA-N 449.250 4.191 5 20 IIBD CCN1C(=S)N[C@H](c2cc([N+](=O)[O-])c(F)cc2F)C(C(=O)Nc2ccccc2)=C1C 731420305 JFGNMIGHHGDEKW-GOSISDBHSA-N 432.452 4.037 5 20 IIBD O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1csc(-c2ccc(Cl)cc2)n1 731510892 RVRVDSZJAYTMMS-QGZVFWFLSA-N 443.868 4.334 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)OCc1noc(Cc2ccc(Br)cc2)n1 732313027 FRFTWKYJJHOTHS-YHYXMXQVSA-N 444.241 4.088 5 20 IIBD COc1ccc(NC(=O)OC(C)(C)C)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 732524436 CPOQCKZXSRZGCF-UHFFFAOYSA-N 437.474 4.060 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 735443340 NRDONWRCEPCXJC-LBPRGKRZSA-N 429.410 4.382 5 20 IIBD COC(=O)Nc1cccc(C(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)c1 735638325 SJCGYTQJBOWIIS-UHFFFAOYSA-N 447.407 4.471 5 20 IIBD CCN(CCOc1ccc(Br)cc1)C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] 741972006 AKMCWAPDGVOMHQ-UHFFFAOYSA-N 429.217 4.177 5 20 IIBD CCc1cc(=O)oc2cc(OS(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])ccc12 742270004 UHPVFQMPQSMHEE-UHFFFAOYSA-N 444.248 4.338 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 742513235 OGKATJIVRGKPJY-QGZVFWFLSA-N 437.924 4.500 5 20 IIBD CN(C(=O)OC(C)(C)C)c1ccc(OC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1 742766376 YWHMRSXZIMDDCB-UHFFFAOYSA-N 438.440 4.371 5 20 IIBD COc1cc(CN2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)c([N+](=O)[O-])cc1OC(F)F 743865915 GVCMGLGTECHLNG-CQSZACIVSA-N 445.463 4.036 5 20 IIBD CC(C)c1ccc(C(=O)[C@H](C)OC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1 744589523 GDSAFWKMNCWLQB-HNNXBMFYSA-N 440.452 4.221 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2cnc3n[nH]c(C)c3c2)c2ccccc2)c([N+](=O)[O-])c1 744784152 FETZGEQWUPJNIA-HXUWFJFHSA-N 445.435 4.020 5 20 IIBD O=C(CCCOc1ccccc1Cl)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 749359224 RUQCNVXIAUUABD-UHFFFAOYSA-N 433.892 4.262 5 20 IIBD C[C@@H](OC(=O)c1c(F)cccc1Br)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 750379587 IOKRNNRHOCYFNZ-SECBINFHSA-N 436.193 4.464 5 20 IIBD CC(C)(NC(=O)c1cc([N+](=O)[O-])ccc1I)c1ccc(F)c(F)c1 750977659 FNXCFQNGNRLGCZ-UHFFFAOYSA-N 446.191 4.143 5 20 IIBD CC(C)(C)OC(=O)N(CC1CC1)C1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 751051970 YXQAUWLRAGPYNF-UHFFFAOYSA-N 447.532 4.002 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@](COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)(C(F)(F)F)C1 751883658 BZCDCBVZCQBQIP-AIADIJKESA-N 444.406 4.341 5 20 IIBD Cc1cc(C(=O)COC(=O)c2c(F)ccc([N+](=O)[O-])c2F)c(C)n1Cc1cccs1 752568708 SQCDHCFMTMXVIA-UHFFFAOYSA-N 434.420 4.441 5 20 IIBD C[C@@H]1C[C@@H](N(C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCN1Cc1ccccc1 753917603 WJUICVZBNYSTFE-MJGOQNOKSA-N 428.508 4.047 5 20 IIBD C[C@H](OC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(F)c(C(F)(F)F)c1 754365499 FNIYZMCWRBOVFD-VIFPVBQESA-N 446.378 4.248 5 20 IIBD Cc1cc(-c2noc([C@@H](C)N[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2)ccc1F 755165717 HMGBNBWMLJCYFV-NWDGAFQWSA-N 447.854 4.424 5 20 IIBD C[C@@H](OC(=O)c1ccc(CN2CCCC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 755427395 NUDNEANUOOZJIA-CQSZACIVSA-N 431.876 4.028 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccccc1)C[C@@H](O)c1cccs1 755747152 GKPCLXBRBYWOSI-GOSISDBHSA-N 427.482 4.433 5 20 IIBD O=C(COC(=O)CCc1cccc([N+](=O)[O-])c1)N[C@@H](c1ccc(F)cc1)c1cccs1 756529938 UKRVTUKSFQYIBW-QFIPXVFZSA-N 442.468 4.177 5 20 IIBD O=C(NC[C@@H](O)c1cc2ccccc2s1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 757581653 YDDUZRNPDXYRCM-LJQANCHMSA-N 425.510 4.263 5 20 IIBD CCC(=O)c1cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)ccc1F 757861508 JWBTWQBVJQJRIO-UHFFFAOYSA-N 442.321 4.141 5 20 IIBD C[C@@H](OC(=O)c1cccc(Br)c1F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 759153962 PEMWYJWIHLWBIA-MRVPVSSYSA-N 445.628 4.334 5 20 IIBD Cc1ccc(N2CCN(C(=O)Cn3c4ccccc4c(=O)c4ccccc43)CC2)cc1C 760018521 GYDLHPDUXOTLIY-UHFFFAOYSA-N 425.532 4.120 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc([N+](=O)[O-])cc1Br 760522870 SZJJHUNXZWLCCV-UHFFFAOYSA-N 448.185 4.278 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(Br)s1 761302315 RLYNHRQRBFXJKI-QMMMGPOBSA-N 431.239 4.050 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc([C@H]3CC(c4cccc(F)c4)=NO3)n2)c(Br)c1 762260523 HXEHVPCCECUDNZ-MRXNPFEDSA-N 447.220 4.336 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1CCc1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 762309819 QMBBOKDBWMFDNZ-HNNXBMFYSA-N 441.488 4.382 5 20 IIBD O=C(O[C@@H]1CCO[C@H](C2CCOCC2)C1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 763125689 SOYPUELTVBYSKQ-KNQAVFIVSA-N 426.469 4.469 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](O)c1ccc(C(C)(C)C)cc1 764278900 JCDXNAMBQIKXTJ-IBGZPJMESA-N 432.542 4.094 5 20 IIBD COc1ccc(OC)c2c1CN(Cc1ccc(-c3ccc([N+](=O)[O-])cc3)s1)C[C@H]2O 768208163 OCTPHTOCWXLOHL-GOSISDBHSA-N 426.494 4.390 5 20 IIBD COc1cc(CN2CCC(C3(C)OCCO3)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 769398668 AFSUWNTYTNHACI-UHFFFAOYSA-N 442.512 4.157 5 20 IIBD Cc1sc(NC(=O)COC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c(C)c1C 770155202 DGSHSTPPKGBQKV-UHFFFAOYSA-N 427.276 4.140 5 20 IIBD COc1ccc(CC(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c32)cc1[N+](=O)[O-] 772789429 LIBVJMPTUQEGJU-UHFFFAOYSA-N 427.457 4.082 5 20 IIBD O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)c1cc([N+](=O)[O-])c2nsnc2c1 774920261 NPRIDTKUTZSTSW-UHFFFAOYSA-N 436.837 4.163 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 779354622 JQGXCMDGFZUFQF-WFASDCNBSA-N 443.447 4.104 5 20 IIBD O=C(OCC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)c1cc(O)cc([N+](=O)[O-])c1 780067007 DTWBBYKGOXETDK-QGZVFWFLSA-N 439.251 4.128 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 780626087 LGHDOJOLXZSBDC-INIZCTEOSA-N 449.551 4.447 5 20 IIBD O=C(Nc1ccccc1COCc1ccccc1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781619548 RHHKTRFHQGLVND-HSZRJFAPSA-N 431.448 4.443 5 20 IIBD C[C@H](OC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1cn(-c2ccccc2)nn1 784837789 KKGLYFNYXRBDBS-ZDUSSCGKSA-N 446.413 4.458 5 20 IIBD CC[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H](O)c1c(F)cccc1F 787341028 KIHDRVPRCJOGKH-DOTOQJQBSA-N 447.360 4.203 5 20 IIBD C[C@@H](OC(=O)c1cc(O)ccc1C(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 787545692 BSAGPUBUIPTXIV-MRVPVSSYSA-N 432.738 4.157 5 20 IIBD COc1ccc(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(OC(C)C)c1 789213643 CJPOUZWBUPVOBX-ZDUSSCGKSA-N 427.413 4.359 5 20 IIBD CC(C)([C@@H](OC(=O)[C@@H]1CC(=O)c2ccccc21)c1ccc(Br)cc1)[N+](=O)[O-] 789420721 UNHNWIILAOAXCP-AEFFLSMTSA-N 432.270 4.459 5 20 IIBD O=C(CC1OCCCO1)Nc1cc([N+](=O)[O-])ccc1Nc1cccc(C(F)(F)F)c1 790145382 VUVMBUMDITYCFG-UHFFFAOYSA-N 425.363 4.449 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccc(CCN2CCSCC2)cc1 790546647 PWNIEPZSMPQHOJ-UHFFFAOYSA-N 437.924 4.160 5 20 IIBD CCC(=O)Nc1ccc(C(=O)COC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 811374531 JUWMUPHLYFPONC-UHFFFAOYSA-N 425.224 4.290 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(c3ncnc4sc([N+](=O)[O-])cc34)CC2)C1 811861112 UIKPXTQGJGMHEV-CQSZACIVSA-N 433.534 4.073 5 20 IIBD COc1ccc([C@@H](O)C2CCN(Cc3c(Br)cccc3[N+](=O)[O-])CC2)cc1 812776418 VAEYBSXQNCFXMX-HXUWFJFHSA-N 435.318 4.312 5 20 IIBD O=C(N[C@H]1CCCN(c2ccccc2Cl)C1=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813020321 VXGJDRWNHCSSRT-AWEZNQCLSA-N 442.686 4.480 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 813806167 KKRVMYUKVITKPG-LJQANCHMSA-N 444.532 4.058 5 20 IIBD O=C(c1c(Cl)cncc1Cl)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 816603673 NBWRVGZFOLMKSL-UHFFFAOYSA-N 431.073 4.258 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 817209007 ARQVLPWEWGFZKY-IBGZPJMESA-N 445.560 4.413 5 20 IIBD COc1cc(NC2CCN(c3cccc(Br)c3[N+](=O)[O-])CC2)cc(OC)c1 820670462 QSVUKMXFSTXEAN-UHFFFAOYSA-N 436.306 4.455 5 20 IIBD NC(=O)c1ccc(SCC(=O)Oc2ccc3oc4c(c3c2)CCCC4)c([N+](=O)[O-])c1 863914397 MPMBITMWWNMOAK-UHFFFAOYSA-N 426.450 4.016 5 20 IIBD CSc1ncc(Cl)c(C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)n1 899212263 JJJZMUCSBWKXHR-UHFFFAOYSA-N 444.856 4.232 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N(Cc1ccccc1F)c1ccccc1 914514102 PJBQLWFRWXHWKZ-UHFFFAOYSA-N 435.455 4.418 5 20 IIBD COc1ccc(OC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 914713661 CPINMRPKMAOORP-OAHLLOKOSA-N 439.251 4.120 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)Oc2c(C)cc(C)cc2[N+](=O)[O-])CC1 914777441 PJUQAQCUBBISJP-UHFFFAOYSA-N 446.887 4.331 5 20 IIBD C[C@H](OC(=O)CCOc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1Cl 915450231 CVOLRTGRSZUJQS-NSHDSACASA-N 427.240 4.241 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)c2oc3ccccc3c2COC(C)C)cc([N+](=O)[O-])c1C 916773972 WRYCBOJRDOBQOQ-UHFFFAOYSA-N 446.481 4.002 5 20 IIBD C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 917304203 ZGRDSVIIZAEDGW-CQSZACIVSA-N 425.441 4.453 5 20 IIBD Cc1cccc(C(C)C)c1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 919227310 PWGVTYFFVJQZRB-AWEZNQCLSA-N 429.429 4.427 5 20 IIBD C[C@@H](OC(=O)c1sccc1Br)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 919345484 CTFSBHFHOCMBIX-SSDOTTSWSA-N 433.667 4.256 5 20 IIBD COc1ccc2cc(CN(C)C(=O)[C@@H](C)OC(=O)c3csc([N+](=O)[O-])c3)ccc2c1 919371337 KUYXRNZLXSWNTE-CYBMUJFWSA-N 428.466 4.022 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccsc1-n1c(C)ccc1C 920059983 BYMWERZXTIMJMR-CQSZACIVSA-N 443.481 4.256 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1CC1CC1 1115983851 AXECBDBSNKMYJY-UHFFFAOYSA-N 439.390 4.237 5 20 IIBD Cc1c(C(=O)N2CCC(Nc3ccccc3Cl)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 1318256439 ZDRIXICSBNMOPR-UHFFFAOYSA-N 432.864 4.490 5 20 IIBD CC[C@H]1Oc2cc([C@H](C)NCc3ccc([N+](=O)[O-])cc3Br)ccc2NC1=O 1325789397 FRTLRHDWKQBDGY-APPDUMDISA-N 434.290 4.318 5 20 IIBD COc1cc(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc(Cl)c1OC 1337785706 MPWUNTAMIAMYIA-UHFFFAOYSA-N 448.781 4.137 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC(Cc2c(F)cccc2Cl)C1 1340153638 JAJMCMRPCATFIA-UHFFFAOYSA-N 427.657 4.465 5 20 IIBD CC(C)CC(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])c4c3OCO4)CCC2)cc1 1787662430 KJLXTNIVCUFZCG-UHFFFAOYSA-N 439.468 4.117 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3cccc4c3OCC4)cc2)CCC1)c1ccc([N+](=O)[O-])o1 1788900322 FFOVXLHZLWYTGT-UHFFFAOYSA-N 447.447 4.184 5 20 IIBD C[C@H]1C[C@]1(C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3F)cc2)CCC1 1791183918 OSJYTVPCSFCBKP-WNSKOXEYSA-N 439.487 4.457 5 20 IIBD O=C(c1ccc2ccoc2c1)N1CCC2(CCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)CC1 1804654234 NLNKWLCTJWHHKA-UHFFFAOYSA-N 437.452 4.093 5 20 IIBD CC(C)CCC(=O)N1CCC2(CCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)CC1 1806494458 TYRPELAIJYDNRW-UHFFFAOYSA-N 429.561 4.195 5 20 IIBD O=C([C@@H]1CCC[C@H]2CCCC[C@H]21)N1CC2(CCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])C1 1845405542 BPEDMBQKLHMGND-KZNAEPCWSA-N 443.519 4.157 5 20 IIBD C[C@@H]1CCC[C@@H]1C(=O)N1CC2(CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 1845739052 HHYIKMITVQNGNB-PBHICJAKSA-N 427.526 4.063 5 20 IIBD Cc1ccc(C(=O)N2CCCC23CN(C(=O)c2c(F)ccc([N+](=O)[O-])c2C)C3)c(Cl)c1 1846811888 JIHOZNIAWQPIRB-UHFFFAOYSA-N 445.878 4.135 5 20 IIBD CN(C)C(=O)COC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 8929334 VPGXACHLZOWOSU-UHFFFAOYSA-N 428.388 4.010 5 20 IIBD CCC[C@H](NC(=O)COC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 11278413 DVRLJKLKDPMUAR-QFIPXVFZSA-N 442.515 4.356 5 20 IIBD C[C@@H](OC(=O)Cc1ccc(Br)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 11445134 VNGOVWPVCUMYHE-SNVBAGLBSA-N 441.665 4.124 5 20 IIBD O=C(COC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)Nc1ccc(Cl)cc1[N+](=O)[O-] 11493446 KVKORAFUNNFFIF-UHFFFAOYSA-N 435.223 4.087 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 16197087 NWBGUVPCNGUUKE-JTQLQIEISA-N 430.398 4.193 5 20 IIBD COc1ccc(NC(=O)C2=C(C)N(C)C(=S)N[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 21187182 JIWQFMQJHYSGGT-SFHVURJKSA-N 446.916 4.031 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccccc2)c1 21441445 STYIVSWOXRVQKI-INIZCTEOSA-N 439.493 4.195 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)c1cccnc1SCc1c(C)noc1C 23267301 YDKMNHGSOIUBPA-UHFFFAOYSA-N 429.454 4.253 5 20 IIBD C[C@@H](OC(=O)c1ccc(COc2ccc(F)cc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 25113861 QGNZGCLHVAOOEV-CYBMUJFWSA-N 428.372 4.090 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(COc2ccc(F)cc2)o1 25180490 MFPBNAKUKRXPHN-UHFFFAOYSA-N 439.355 4.313 5 20 IIBD O=C(CSc1nc(C(F)(F)F)nc2ccccc12)N1CCc2ccc([N+](=O)[O-])cc21 26514156 HCAACNXTNVIAGG-UHFFFAOYSA-N 434.399 4.238 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc2ccsc2c1=O 27820094 BRQGZIDIXORFKA-VIFPVBQESA-N 438.918 4.159 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)cc1OC 57789496 XYBDEZAWDYUKJH-GOSISDBHSA-N 447.557 4.267 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)N2CCC(c3cccc4ccccc34)CC2)cc1[N+](=O)[O-] 58725366 FDUZADZRSNBKOR-UHFFFAOYSA-N 438.505 4.171 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ncn(Cc3ccccc3)n2)cc1 64808416 XRDAQVIHQQYHRW-UHFFFAOYSA-N 445.435 4.288 5 20 IIBD O=c1c2cc([N+](=O)[O-])ccc2ncn1Cc1csc(COc2ccc(Cl)cc2)n1 71857957 LCRIOIORHVMLES-UHFFFAOYSA-N 428.857 4.042 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 72042824 MIGPNYBJVZUKPR-UHFFFAOYSA-N 431.514 4.109 5 20 IIBD CN1CC[C@@H](CNc2cc3ncnc(O)c3cc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 301852693 BUDIUDLJHFACJP-HXPMCKFVSA-N 431.855 4.141 5 20 IIBD CCC[C@H]1CCc2nc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)sc2C1 303438867 HJCGPPNYXWDMIU-JSGCOSHPSA-N 448.570 4.261 5 20 IIBD CC(C)(NCc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)c1ccccc1[N+](=O)[O-] 429258787 RMBCVOPTQHLDSJ-UHFFFAOYSA-N 440.813 4.268 5 20 IIBD O=C(NCCc1ccc(OC(F)(F)F)cc1)c1ccc(Br)cc1[N+](=O)[O-] 430048212 VMSUNRUQUIFVGO-UHFFFAOYSA-N 433.180 4.228 5 20 IIBD C[C@H](c1cccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1)N1CCOCC1 430916900 WXWVWJDCKCSKPJ-CYBMUJFWSA-N 434.290 4.003 5 20 IIBD CCOC[C@H]1CCCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)C1 435472876 GYGZEPOQYOARLF-AWEZNQCLSA-N 449.554 4.021 5 20 IIBD Cc1cc(C)c(NC(=O)CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c(C)c1 435824206 CMBQAKRLRNAJNB-UHFFFAOYSA-N 431.467 4.114 5 20 IIBD C[C@H]1CCC[C@](CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)(N(C)C)C1 436155147 RVJLECZJDXCOMU-BSEYFRJRSA-N 427.495 4.200 5 20 IIBD O=C(Nc1ccccc1CN1CCSCC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437801340 PTLQJOACEUFNLF-UHFFFAOYSA-N 426.542 4.340 5 20 IIBD CCCN(C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C)c1cccc([N+](=O)[O-])c1 441469799 WEWYCRKMBFPUIJ-UHFFFAOYSA-N 445.541 4.135 5 20 IIBD CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 444087395 ZYRMTMHGEOTGRE-UHFFFAOYSA-N 427.504 4.399 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3ccc(O)cc3Cl)no2)c(I)c1 445448283 RMUPVWCEHOBHPW-UHFFFAOYSA-N 443.584 4.275 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCC[C@@H](c2nnc3ccccn23)C1 447688663 YOXDBWFNCAIISC-LLVKDONJSA-N 442.348 4.071 5 20 IIBD O=C(Cc1noc(Cc2ccc([N+](=O)[O-])cc2Cl)n1)Nc1cccc(C(F)(F)F)c1 460152238 YYLRKMICGNQPNS-UHFFFAOYSA-N 440.765 4.422 5 20 IIBD CN(C)c1cccc([C@H]2CCCN2S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 462334160 LNBOKYLFVJXHSB-MRXNPFEDSA-N 444.340 4.493 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl 462774801 PAKXQMNPAQYQDN-ZBFHGGJFSA-N 441.311 4.026 5 20 IIBD O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 463369386 QWACOTGJFCBWTF-UHFFFAOYSA-N 435.402 4.170 5 20 IIBD O=C(CCc1ncc(-c2ccccc2F)o1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464629106 PPUDAQJSTUCNOX-UHFFFAOYSA-N 439.443 4.392 5 20 IIBD C[C@@H]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN1Cc1ccccc1 464842886 MWSIJTMPAMPUNF-IAGOWNOFSA-N 430.936 4.172 5 20 IIBD COc1ccc(CSCC(=O)NC(C)(C)c2nc(C(F)(F)F)cs2)cc1[N+](=O)[O-] 465308419 QNBIQQRZAKNTRD-UHFFFAOYSA-N 449.476 4.363 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 470111871 BMTKNDODFBQNPC-LLVKDONJSA-N 447.776 4.202 5 20 IIBD O=C(N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1cc2cc([N+](=O)[O-])ccc2s1 470234044 NKSBDMZPPDINFR-KRWDZBQOSA-N 445.447 4.009 5 20 IIBD CN(Cc1cccc(OC(F)(F)F)c1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br 470718110 OJQCUQMSXRJOAI-UHFFFAOYSA-N 447.207 4.457 5 20 IIBD Cn1cc(C(=O)N[C@H](CCc2ccccc2)C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 479651916 XEKXJGWSIJCVFJ-GOSISDBHSA-N 432.402 4.289 5 20 IIBD Cc1ccccc1CN(Cc1cccnc1)S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] 481021599 KHQGOVZUZAPPOJ-UHFFFAOYSA-N 425.510 4.306 5 20 IIBD O=[N+]([O-])c1ccc(NC[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)nc1-c1ccc(F)cc1 485410679 JVQUPOPKXKSVBC-WBVHZDCISA-N 425.420 4.389 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 485416443 AXOMBOCGVBPOIR-BFUOFWGJSA-N 446.389 4.012 5 20 IIBD C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] 485827670 WOBKHIFNNIPDLV-DUXKGJEZSA-N 435.524 4.337 5 20 IIBD Cc1cc(S(=O)(=O)N2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)ccc1[N+](=O)[O-] 487400972 DLYOGAOKOCPWTI-KRWDZBQOSA-N 442.541 4.402 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 487418426 IDFKUZBJKSDZLN-UHFFFAOYSA-N 432.889 4.383 5 20 IIBD Cc1ccc(-n2cnnc2SCC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl 488104913 JWYSVXBWWKEIJB-CQSZACIVSA-N 445.932 4.415 5 20 IIBD COc1cccc(-c2noc([C@H](C)NC(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)n2)c1 489470721 DJEMECMPULBSNS-KGLIPLIRSA-N 425.445 4.083 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)N(Cc2cc(C)nc(N3CCCCC3)n2)CC(C)C)c1 490136171 MZAKZNYXUFGEBR-UHFFFAOYSA-N 425.533 4.290 5 20 IIBD Cc1c(C(=O)Nc2cnn(-c3ccccc3)c2C(C)C)nnn1-c1cccc([N+](=O)[O-])c1 490356088 WXHQKZBJQWNCMW-UHFFFAOYSA-N 431.456 4.045 5 20 IIBD COc1cc(CN2CCC[C@H](N3[C@H](C)CC[C@H]3C)C2)c([N+](=O)[O-])cc1OCC(F)F 491065233 KAJASNBOBSZVQS-INMHGKMJSA-N 427.492 4.085 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Nc2ccccc2NC(=O)Cc2cccs2)cc1[N+](=O)[O-] 491597510 WGGPXBZPDFNBCB-UHFFFAOYSA-N 445.522 4.255 5 20 IIBD COc1cc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(F)(F)F)cc(OC)c1OC 492099654 DYSSEQBZBVYHJS-INIZCTEOSA-N 448.781 4.307 5 20 IIBD C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 497355086 QPCCBNIDMXAXCU-QVDMIQRCSA-N 433.455 4.083 5 20 IIBD Cn1cc(C(=O)Nc2cccc3oc(C(F)(F)F)nc23)c(-c2ccc([N+](=O)[O-])cc2)n1 499498300 KMNZVACTLXVQDM-UHFFFAOYSA-N 431.330 4.408 5 20 IIBD Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 499779509 TVCWDDIMLOZIST-UHFFFAOYSA-N 433.287 4.239 5 20 IIBD O=c1c([N+](=O)[O-])cc(Br)cn1CCOC(c1ccccc1)c1ccccc1 502122852 LBVMCUQWAHNFQK-UHFFFAOYSA-N 429.270 4.325 5 20 IIBD CCCOc1cc(NC(=O)N[C@H](C)c2nnc3ccccn23)c([N+](=O)[O-])cc1OCCC 503984314 DITHRIRLJWWBMT-CQSZACIVSA-N 442.476 4.098 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cccc(OCc3cscn3)c2)cc([N+](=O)[O-])c1 504987846 DKVXPXLIGWHPIP-UHFFFAOYSA-N 427.438 4.059 5 20 IIBD CCCC[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(N2CCCC2)c1 505536800 SXBGZNJKGITQQJ-OAQYLSRUSA-N 438.528 4.051 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1CN(CC)CC(=O)Nc1ccccc1C(F)(F)F 505570231 GROVCCYWHRSRQM-UHFFFAOYSA-N 425.407 4.473 5 20 IIBD CCOC(=O)c1cnc(C)c(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1 506529880 DTIXYNFSAKJEKG-HUUCEWRRSA-N 440.500 4.210 5 20 IIBD Cn1cc(CNC(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)cn1 509764092 DGQYQERYUPVQOA-YVLHZVERSA-N 433.493 4.185 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccc(-n4cccn4)c(F)c3)cc2)c(C)c1[N+](=O)[O-] 510133514 WCAGHFKSWSQMSM-UHFFFAOYSA-N 434.431 4.034 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H](C)C3=CCN(C)CC3)c([N+](=O)[O-])c2)c(C)c1 511360180 MKMIMAGIVYFJAD-KRWDZBQOSA-N 444.557 4.075 5 20 IIBD O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N(Cc1ccccc1Cl)C1CCCC1 511909819 GMOGGVRBLCUWLP-UHFFFAOYSA-N 425.876 4.414 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccccc1 513867046 ZXBHPOIHMVCZQG-ZXNZYJFHSA-N 441.915 4.475 5 20 IIBD O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 514137063 WITPAKNQJUUHFN-UHFFFAOYSA-N 443.467 4.018 5 20 IIBD COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1OC 514320102 XALBXGLZMGTVSF-GJZGRUSLSA-N 441.484 4.267 5 20 IIBD CN1CCC(N(Cc2ccccc2Br)C(=O)c2csc([N+](=O)[O-])c2)CC1 514978665 YLFJZLULULJQKQ-UHFFFAOYSA-N 438.347 4.155 5 20 IIBD CCOc1cc(NC(=O)C(=O)N2CCC[C@@H]2c2ccc(C)cc2)c([N+](=O)[O-])cc1OCC 517109304 OEPHKBDHQFUYCV-GOSISDBHSA-N 441.484 4.003 5 20 IIBD CN(Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 517566550 XSGYDQQVXKWYDM-UHFFFAOYSA-N 439.409 4.489 5 20 IIBD C[C@H]1CCC[C@H](OCc2cccc(NC(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)c2)C1 519496565 QVDCLVBJLQBOPM-KKSFZXQISA-N 425.485 4.059 5 20 IIBD COCCN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@@H](C)c1cccc(C(F)(F)F)c1 520152542 KJLOCKTWUAZNBW-AWEZNQCLSA-N 425.407 4.262 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCCc3c(Cl)ccc(F)c32)cc1OC 520969502 CWZONUSAUXSGIA-UHFFFAOYSA-N 438.839 4.014 5 20 IIBD COc1cc([C@@H]2Nc3cccc(C)c3C(=O)N2CCc2ccccc2)c([N+](=O)[O-])cc1O 521107303 YNVPTVBLDCOKEK-HSZRJFAPSA-N 433.464 4.427 5 20 IIBD CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc([N+](=O)[O-])cn1C)N(C)C 521810390 ZMSQPBIEAZMSIB-IBGZPJMESA-N 441.359 4.469 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)ccc1[N+](=O)[O-] 522569342 LLRJLIKFWVCPOK-OAQYLSRUSA-N 446.463 4.334 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(F)cc2OCC2CC2)cc1[N+](=O)[O-] 525374361 DXMYHWCCKIIVGY-UHFFFAOYSA-N 443.460 4.055 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)c(F)c1 530441218 ABKLDSCYFTYVCO-GOSISDBHSA-N 448.451 4.179 5 20 IIBD COC(=O)c1ccc(Oc2ncc(Br)cc2[N+](=O)[O-])c(Br)c1 531627890 GHCCGKARDRRSJY-UHFFFAOYSA-N 432.024 4.094 5 20 IIBD COc1ccc(-c2ccc(CNc3ccc(N4CCC(CO)CC4)cn3)o2)c([N+](=O)[O-])c1 532675668 YHAIJXHMBWVPFL-UHFFFAOYSA-N 438.484 4.079 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N2CCC(Oc3ccc(C)c(C)c3)CC2)c([N+](=O)[O-])c1 532930205 JUMXMKNFVYCZJI-QGZVFWFLSA-N 427.501 4.091 5 20 IIBD Cn1ccnc1[C@H]1CCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 536593860 LXVZNCYZIVMFHF-OXJNMPFZSA-N 439.903 4.151 5 20 IIBD O=C(NCCc1ccon1)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 536719927 VANAQHAPXPWKKV-UHFFFAOYSA-N 426.479 4.316 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1 538507169 KXEJKUGKYDDCHB-SFHVURJKSA-N 441.553 4.059 5 20 IIBD COc1cc(CNc2cccc(NC(=O)CCN3CCCCC3)c2)c([N+](=O)[O-])cc1OC 538820554 SKGSJAASVNKKKF-UHFFFAOYSA-N 442.516 4.039 5 20 IIBD O=C(Nc1nc2c(ccc3ccccc32)s1)c1cccc([N+](=O)[O-])c1N1CCOCC1 539550257 FBBBHRKUGUNHOV-UHFFFAOYSA-N 434.477 4.447 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C 540463312 HDZZZHZXBYQOKE-HNNXBMFYSA-N 425.464 4.216 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 540843441 URHRYAAVROUCJH-SFHVURJKSA-N 436.516 4.122 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 543156311 NFJYQLMCPABOOE-UHFFFAOYSA-N 438.311 4.305 5 20 IIBD COc1ccc(NC(=O)CCN[C@@H](C)c2oc3ccc(OC)cc3c2C)c([N+](=O)[O-])c1 543510827 NACHADCSFFDJKW-AWEZNQCLSA-N 427.457 4.346 5 20 IIBD Cc1cc(NC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)nc(O)n1 543916797 IHNGJEDJOKKLHS-UHFFFAOYSA-N 439.478 4.412 5 20 IIBD Cc1ccc(-c2noc([C@H](C)NC(=O)c3ccc(Br)s3)n2)cc1[N+](=O)[O-] 545571999 IZXNOHJOFBDQFU-VIFPVBQESA-N 437.275 4.268 5 20 IIBD O=[N+]([O-])c1cc2c(c(CN3CCC(Oc4cccc(Br)c4)CC3)c1)OCOC2 546105504 WMJVDTYHENNJJB-UHFFFAOYSA-N 449.301 4.267 5 20 IIBD Cc1sc2ncnc(SCCc3nc(-c4ccc(N)c([N+](=O)[O-])c4)no3)c2c1C 546258581 RSVBVDDXAFNPNZ-UHFFFAOYSA-N 428.499 4.183 5 20 IIBD O=C(c1ccc(-c2cccc3cccnc23)cc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 551918708 ANUJYCWFWGTYAT-UHFFFAOYSA-N 439.475 4.167 5 20 IIBD O=C(Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1)c1n[nH]c2ccc([N+](=O)[O-])cc12 552676177 NYKKRFSRFJTSEE-UHFFFAOYSA-N 427.848 4.003 5 20 IIBD COc1ccc(CN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@@H](C)C2CC2)c(OC)c1 558748927 SWNZWBXPNUXKBW-INIZCTEOSA-N 427.501 4.160 5 20 IIBD Cc1nn(Cc2ccc(-c3nc(-c4cc(O)nc5ccccc45)no3)cc2)c(C)c1[N+](=O)[O-] 569036749 QSYGQYGIPLDCEI-UHFFFAOYSA-N 442.435 4.427 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CNC3(c4cccc(C(F)(F)F)c4)CCOCC3)n2)cc1 574146750 HDEOHCCLLDRWRI-UHFFFAOYSA-N 448.401 4.459 5 20 IIBD COc1ccc(OC)c(CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C(C)(C)C)c1 575757093 YQXCVGIEJQCMPT-UHFFFAOYSA-N 438.484 4.239 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCN(c2ccccc2Cl)C1 575793033 DLSIENJAZAKSLZ-ZDUSSCGKSA-N 427.810 4.410 5 20 IIBD Cn1ccnc1[C@H](NCc1cc(F)c(F)cc1Br)c1cccc([N+](=O)[O-])c1 582741509 NFOBMVRPWXUZMA-QGZVFWFLSA-N 437.244 4.248 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)nn2-c2cccc(Cl)c2)cc1OC 585716368 QVUNWEHYGIEVNR-UHFFFAOYSA-N 430.848 4.402 5 20 IIBD CN(Cc1cccc2ccccc12)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 585757162 QMURPDHIKKWNEQ-UHFFFAOYSA-N 442.269 4.108 5 20 IIBD COc1ccc([C@H]2C[C@H](NC(=O)NCCc3c[nH]c4ccc([N+](=O)[O-])cc34)C2)cc1F 588895271 HLTUKLXBJWBQBB-WKILWMFISA-N 426.448 4.012 5 20 IIBD CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCc2sccc2C1 589647454 XBYNOTPMEMQTBY-UHFFFAOYSA-N 427.530 4.294 5 20 IIBD COCCN(C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)[C@H](C)c1ccccc1 603529240 SXOQVQSEHQNBPS-GOSISDBHSA-N 436.512 4.306 5 20 IIBD C[C@H](NC(=O)Nc1ccc2c(c1)N(C(=O)C(C)(C)C)CCO2)c1cccc([N+](=O)[O-])c1 604087340 DPPWWFHDNCIBAO-AWEZNQCLSA-N 426.473 4.249 5 20 IIBD CCOC(=O)c1ccccc1N(C)C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 609262809 HCFFOMYWNPYVDE-UHFFFAOYSA-N 425.485 4.284 5 20 IIBD COc1ccc(C(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)cc1OC 609817018 JWOMKHAPRJNVHY-UHFFFAOYSA-N 434.408 4.310 5 20 IIBD Cc1cc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)ccc1OC1CCOCC1 609980403 JIJKVUMAMQYSTF-UHFFFAOYSA-N 436.468 4.114 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1 610051973 DGGNSODYAIHCBD-UHFFFAOYSA-N 433.342 4.206 5 20 IIBD COCC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 610152390 UFDNXDJBNSJINW-YOEHRIQHSA-N 435.318 4.430 5 20 IIBD COc1ccc(F)cc1-c1csc(NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)n1 610171185 BEGYPIGTQBVXJR-UHFFFAOYSA-N 433.417 4.136 5 20 IIBD O=C1CCCN1c1cc(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)ccc1Cl 612929010 PSVNJOOCXBYXAH-UHFFFAOYSA-N 427.848 4.080 5 20 IIBD CC(C)(C)c1ccccc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Br 725984474 DCDDRQIQZOFVAC-UHFFFAOYSA-N 435.274 4.450 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)c1cccc2cccnc12)c1cccc([N+](=O)[O-])c1 726936018 IMPRLDOCCUXVHY-IBGZPJMESA-N 433.464 4.385 5 20 IIBD Cn1cc([N+](=O)[O-])cc1C(=O)O[C@H](c1cc(Br)ccc1F)C(F)(F)F 730402994 PMSVNMRSTFJHHP-GFCCVEGCSA-N 425.132 4.295 5 20 IIBD Cc1cc(Cl)ccc1O[C@H](C)C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730702483 AFKMGAXDZLLENG-WBVHZDCISA-N 446.887 4.172 5 20 IIBD CN(C(=O)[C@H]1C[C@@H]1c1cccc2ccccc12)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 730920375 LRWYWZSDIPHXHX-MSOLQXFVSA-N 444.896 4.352 5 20 IIBD O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(-c2ccccc2Cl)o1 731504325 JNBWKXGMBFYCSC-GOSISDBHSA-N 426.812 4.471 5 20 IIBD O=C(Nc1cccc(CS(=O)(=O)c2ccccc2)c1)c1cc(Cl)ccc1[N+](=O)[O-] 731998128 RNOQWCIXZNPTBZ-UHFFFAOYSA-N 430.869 4.474 5 20 IIBD Cc1c(C(=O)OCc2ccc(OCc3ccncc3)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 733473622 QBPSCYBIPSYMDE-UHFFFAOYSA-N 437.408 4.451 5 20 IIBD O=[N+]([O-])c1ccc(I)c(-c2nc(-c3nccc4ccccc34)no2)c1 733868021 LQRRIUDJPUWINX-UHFFFAOYSA-N 444.188 4.465 5 20 IIBD CN(C)CCCNC(=S)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 735423411 XAGQRIRAZNRDEX-UHFFFAOYSA-N 440.928 4.095 5 20 IIBD O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCCCN1C(=O)c1cccs1 735445618 OIKHCRZXMWEAON-QGZVFWFLSA-N 441.465 4.049 5 20 IIBD O=C(CCCn1cccn1)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 735459362 XRZSNNYDSPUEJY-UHFFFAOYSA-N 432.839 4.473 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Nc1ccccc1SC[C@H](O)c1ccccc1 736536178 AVVHUWFVSFNADG-SFHVURJKSA-N 448.497 4.360 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1cc(Cl)cc([N+](=O)[O-])c1 736874013 FAGHPFHSTNCJSA-OAHLLOKOSA-N 428.750 4.229 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCc1ccc2ccccc2c1 740203911 HOWYATTYBFFBHP-NRFANRHFSA-N 438.505 4.343 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2nc(C)n3ccccc23)c2ccccc2)c([N+](=O)[O-])c1 741364294 VDIQLKSEXXJLGV-JOCHJYFZSA-N 444.447 4.396 5 20 IIBD CC[C@H](C)[C@@H](C(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C)N1C(=O)c2ccccc2C1=O 741935394 YUCNUFHQGUOTBQ-VOJFVSQTSA-N 429.860 4.206 5 20 IIBD COc1ccccc1-n1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)nc2ccccc21 741988283 JKBQOMZTRAZREE-UHFFFAOYSA-N 447.407 4.411 5 20 IIBD CC(C)c1ccc(C(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cc1 744645113 OUQJBJHDXAZPMP-RHSMWYFYSA-N 442.443 4.025 5 20 IIBD C[C@@H](C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Br)s1 745642002 YCSVLCLGUWLQJC-MRVPVSSYSA-N 447.694 4.358 5 20 IIBD COc1ccc(-c2nc(COC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)no2)cc1 747962205 MMEHNTJEEMGGJR-UHFFFAOYSA-N 438.421 4.134 5 20 IIBD O=C(Nc1cc(F)c(I)c(F)c1)c1cc(Cl)ccc1[N+](=O)[O-] 749152077 ZOFSXEGNTNJQIO-UHFFFAOYSA-N 438.555 4.383 5 20 IIBD O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1ccc(-c2ccccc2F)o1 750435544 XNYQEPZVTNVVNS-UHFFFAOYSA-N 425.416 4.462 5 20 IIBD COc1ccc2c(c1)OCC[C@@H]2NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 750889392 AANVDQALUPXGLV-ZDUSSCGKSA-N 441.665 4.273 5 20 IIBD COC(=O)c1sc2[nH]c(/C(Cl)=C/C=C/c3ccccc3[N+](=O)[O-])nc(=O)c2c1C 750901993 UGPILSUBNHJVTH-VRGHMPIDSA-N 431.857 4.281 5 20 IIBD CC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1 753435400 ZXXUXIZUJLJPTG-NSHDSACASA-N 449.257 4.052 5 20 IIBD C[C@H](c1ccccc1)N1CCC(NC(=O)c2cccc([N+](=O)[O-])c2Br)CC1 753830173 XWRWCNGPNMWNKK-CQSZACIVSA-N 432.318 4.313 5 20 IIBD CCc1ccc(-c2noc([C@@H](C)NC(=O)c3cccc([N+](=O)[O-])c3Br)n2)cc1 758681394 XORMPLZINQRQIL-LLVKDONJSA-N 445.273 4.461 5 20 IIBD O=C(Cc1csc(Cc2ccc(F)cc2)n1)O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 759947089 KCLREBVYOBUPET-ROUUACIJSA-N 444.488 4.247 5 20 IIBD CC[C@H]1c2ccsc2CCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 760853660 FLRYKKNJKCMHFB-ZDUSSCGKSA-N 431.333 4.117 5 20 IIBD Cc1nn(Cc2ccc(-c3nc(Cc4ccccc4[N+](=O)[O-])no3)cc2)c(C)c1[N+](=O)[O-] 761344869 QKSYESXMQRKLBJ-UHFFFAOYSA-N 434.412 4.005 5 20 IIBD COc1cc(-c2noc(COC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)n2)ccc1C 762995877 DBDHEWGTNUOJNZ-UHFFFAOYSA-N 429.404 4.122 5 20 IIBD Cc1ccc(NC(=O)Cc2nc(COC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)cs2)cc1 763401690 LCJJZHHNYYFLPQ-OAHLLOKOSA-N 439.493 4.388 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[C@@H](C)c1c(F)cccc1F 764155467 BZGPFHSOLZUFOP-ZDUSSCGKSA-N 430.411 4.464 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 767192110 ZILSIANBIQJXMD-MRXNPFEDSA-N 449.429 4.080 5 20 IIBD C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(OCc2ccc(F)cc2)CC1 768806974 INHKYWYATYEWBB-AWEZNQCLSA-N 435.883 4.396 5 20 IIBD O=C(NC1CCC(O)(c2cccnc2)CC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 770049325 ASFYKNQCJWPAFI-UHFFFAOYSA-N 432.480 4.294 5 20 IIBD CCCn1c(SCC(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nc2ccccc21 770411561 OUGUYJOCQFHKKO-AWEZNQCLSA-N 442.497 4.017 5 20 IIBD Cc1cc(S(=O)(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)cc([N+](=O)[O-])c1F 771749123 CACIVVHDVBKDMS-INIZCTEOSA-N 449.287 4.111 5 20 IIBD O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)C1CCN(Cc2ccccc2)CC1 773438094 BMASBQPTJGJHOY-UHFFFAOYSA-N 433.302 4.313 5 20 IIBD O=C(O[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cc(F)cc([N+](=O)[O-])c1 776384210 DYWQCMNHNRBLOC-QGZVFWFLSA-N 440.349 4.101 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cccc(Br)c1Cl 780130041 UXXLMGLWOKTJFX-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD Cc1ccc(-c2nnc([C@@H](C)OC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)cc1C 781735453 GDNSWTCBYWRVKG-CQSZACIVSA-N 440.412 4.407 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccc(N2CCCCCCC2)c(F)c1)c1cccc([N+](=O)[O-])c1 782777731 MBYRJDOBBOJMGX-INIZCTEOSA-N 442.491 4.320 5 20 IIBD C[C@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccc2c(c1)CC(=O)N2C 783245908 FCWAVZRYXOUPPR-INIZCTEOSA-N 445.475 4.184 5 20 IIBD CC(C)(C)OC(=O)NCc1cccc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)c1 787904332 IJHLELDXXRHWAY-UHFFFAOYSA-N 437.456 4.058 5 20 IIBD C[C@H](Cc1cccc(Cl)c1F)OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 788411167 CVPWKAFGUXDNMK-RISCZKNCSA-N 440.880 4.228 5 20 IIBD O=C(Nc1ccccc1C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccsc1 791650680 IUWZWIAJILXXNT-UHFFFAOYSA-N 427.394 4.174 5 20 IIBD CSc1cccc(C(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c1[N+](=O)[O-] 794036724 DWSYVYZPTIFMPJ-KRWDZBQOSA-N 443.525 4.095 5 20 IIBD CCC(=O)c1ccc(N2CCN([C@@H](C)c3nc(-c4cccs4)no3)CC2)c([N+](=O)[O-])c1 795096383 VGUDIUIKBSZVLH-AWEZNQCLSA-N 441.513 4.182 5 20 IIBD CC(C)(C)OC(=O)NCC[C@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 799378618 MEACPBOKTSWVJU-CQSZACIVSA-N 440.928 4.085 5 20 IIBD CC(C)(C)OC(=O)NCc1ccc(OC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1 802957053 VXXULJXXEYBXQF-UHFFFAOYSA-N 425.441 4.180 5 20 IIBD CN(c1ccc(Oc2c([N+](=O)[O-])cccc2[N+](=O)[O-])cc1)S(=O)(=O)c1cccs1 804324103 OPDNQJZXMAWGTD-UHFFFAOYSA-N 435.439 4.182 5 20 IIBD CCCN1CCN(c2ccc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])c(OCC)c2)CC1 808796065 AZIJHSLWSASWRE-UHFFFAOYSA-N 446.935 4.431 5 20 IIBD C[C@@H](Oc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)C(F)(F)F 809316677 OVSFUHGUFVKBMF-CYBMUJFWSA-N 439.390 4.013 5 20 IIBD O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 809915044 RFRBMJWBEQOCPM-LLVKDONJSA-N 438.271 4.179 5 20 IIBD CC(C)(C)NS(=O)(=O)c1ccccc1CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811476256 HKLNMZNQADCTAG-UHFFFAOYSA-N 446.356 4.268 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccc(N2CCCCC2=O)cc1 812388459 CVVAVPFNWIJVIW-ZDUSSCGKSA-N 446.301 4.365 5 20 IIBD C[C@@H](C(=O)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1cccc(Br)c1 812607893 BFPIBXGTCNPWGA-GFCCVEGCSA-N 449.257 4.002 5 20 IIBD CCN1CCN(Cc2ccc(NC(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])cc2)CC1 813410771 XEWKZXPAEGICKZ-UHFFFAOYSA-N 437.327 4.291 5 20 IIBD Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)c(Cl)c1 814483310 RJGXDAVJMLBSJU-GFCCVEGCSA-N 437.855 4.254 5 20 IIBD CCc1nc(C)c(CNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)o1 817067158 NDDLEBQQVCROPG-UHFFFAOYSA-N 442.859 4.289 5 20 IIBD C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccnc(O)c1 818035572 YCHDWMFDEAPOQY-GFCCVEGCSA-N 440.843 4.092 5 20 IIBD CCCN(CCC)C(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 912999383 IFBLNRWSQAHIDY-UHFFFAOYSA-N 439.921 4.311 5 20 IIBD O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 913117133 XRIPUXLXCPHMDL-SECBINFHSA-N 445.756 4.398 5 20 IIBD COc1ccc(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1N1CCCCC1=O 917932204 AHOHBPVLEKCIIU-ZDUSSCGKSA-N 446.891 4.213 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1OS(=O)(=O)c1ccc(Br)cc1Cl 921066498 PHBKRZZRXJRLLE-UHFFFAOYSA-N 427.059 4.432 5 20 IIBD O=[N+]([O-])c1c(Cl)cccc1-c1nnc(CN2CCN(Cc3ccc(Cl)cc3)CC2)o1 1117240141 SSMWMFGWUKNMEC-UHFFFAOYSA-N 448.310 4.269 5 20 IIBD CCOc1cc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)c([N+](=O)[O-])cc1OC 1317829261 FDNFQLWZEDSBGC-UHFFFAOYSA-N 425.441 4.163 5 20 IIBD COc1cccc(Nc2ccccc2C(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c1 1318619186 NAEQJXCMKUYOLE-UHFFFAOYSA-N 446.507 4.305 5 20 IIBD C[C@@H](NC(=O)N1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1cccc([N+](=O)[O-])c1 1320630054 OHTUZQHLLMPWQH-QGZVFWFLSA-N 446.548 4.479 5 20 IIBD O=C1COc2ccccc2N1CCNCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 1322611316 QNASZBAXAROVCB-UHFFFAOYSA-N 427.844 4.023 5 20 IIBD CCCOc1ccc(-c2nnc([C@@H](CC)Nc3c([N+](=O)[O-])c(C)nn3C)o2)cc1OC 1328364869 KNBHUFDOWFAXHV-CQSZACIVSA-N 430.465 4.047 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CCN(c3cccc(F)c3)CC2)CC1 1339342290 RGIKAEVGFCWCBU-UHFFFAOYSA-N 440.519 4.369 5 20 IIBD O=C(NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1)c1ccc([N+](=O)[O-])c2cccnc12 1347718910 WMPCSSWWCKZTNM-IHWFROFDSA-N 430.508 4.459 5 20 IIBD CCO/C=C/C(=O)NC1(c2ccc(NC(=O)CCc3cccc([N+](=O)[O-])c3)cc2)CCC1 1786601395 LGKGYYBDKPFLRX-DTQAZKPQSA-N 437.496 4.212 5 20 IIBD O=C(Cc1ccc(F)cc1)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1 1787762283 ZMSPQWJNFXKGPW-UHFFFAOYSA-N 436.443 4.052 5 20 IIBD COc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CC4(F)F)CCC3)cc2)ccc1[N+](=O)[O-] 1792164654 LODZOPLJMRGMCY-INIZCTEOSA-N 445.422 4.006 5 20 IIBD Cc1cc(C)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C3)c1 1799658934 UKRUEICPPJZSNX-KOUNCHBCSA-N 435.524 4.096 5 20 IIBD Cc1cc(C)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2ccc(C)c([N+](=O)[O-])c2)C3)c(C)c1 1803566763 FWERJPFTMLKYKR-KOUNCHBCSA-N 449.551 4.323 5 20 IIBD C/C=C/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cccc([N+](=O)[O-])c2)n[nH]1 1815538207 APVASEHKTBOTIG-ZJJSWAHQSA-N 437.500 4.075 5 20 IIBD CCC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C)c([N+](=O)[O-])cn3)CC2)CCC1 1827827954 DMCHAIYOBBSXFP-HXUWFJFHSA-N 442.560 4.112 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)COc1ccc2oc3ccccc3c2c1 9785322 BRMTYPOLHFGNFB-UHFFFAOYSA-N 434.404 4.363 5 20 IIBD CC(C)CCn1c(S[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nc2ccccc2c1=O 11207944 NLAAHMVJDXHGLK-HNNXBMFYSA-N 440.525 4.470 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)SCc2nc3sc(C)c(C)c3c(=O)[nH]2)cc1[N+](=O)[O-] 17639340 QPRUDGMMTSHKNS-LBPRGKRZSA-N 432.527 4.078 5 20 IIBD Cc1nc(-c2ccccc2)c(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])s1 18764929 LNDALEYASAKFLH-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD Cc1csc(N(C(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)c2ccccc2)n1 21892518 WBZFAKZEMJLCSG-UHFFFAOYSA-N 447.476 4.193 5 20 IIBD CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nc3cc4ccccc4cc3c(=O)n2C)cc1 22253149 WCOTZWWRRGMIKI-HNNXBMFYSA-N 431.517 4.409 5 20 IIBD Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 24813793 VHXWLFCNWFFRAF-IYBDPMFKSA-N 438.528 4.062 5 20 IIBD O=[N+]([O-])c1cc2c(c(CSc3nnc(NCc4ccc(F)cc4)s3)c1)OCOC2 25810248 GYFYTFVMSWVWBY-UHFFFAOYSA-N 434.474 4.356 5 20 IIBD COC(=O)c1ccc(OCc2csc(N(C(C)=O)c3ccccc3)n2)c([N+](=O)[O-])c1 26270716 UYYICLZSJARLHN-UHFFFAOYSA-N 427.438 4.102 5 20 IIBD O=C(NCc1ccc(N2CCCC2)nc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 30299112 DPCCPQNWRLZDJN-UHFFFAOYSA-N 431.496 4.132 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 60925521 PTYWOXMCSLVXCM-IBGZPJMESA-N 448.447 4.144 5 20 IIBD Cc1ccc(-c2csc(NC(=O)[C@@H]3CC(=O)Nc4cc(F)ccc43)n2)cc1[N+](=O)[O-] 97041722 VUBJMVHCKUHJBM-CQSZACIVSA-N 426.429 4.230 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N(C)Cc3ccccn3)c([N+](=O)[O-])c2)c(C)c1 108713957 CCASTNAQJYSAIY-UHFFFAOYSA-N 426.498 4.044 5 20 IIBD O=C(Nc1ccc2c(c1)Cc1ccccc1-2)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303450229 JIDYDNJVKFACFN-LJQANCHMSA-N 433.489 4.471 5 20 IIBD O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccc([N+](=O)[O-])cc1Cl 303521962 DEEYLIFJJRIXTP-CQSZACIVSA-N 427.810 4.271 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1ncc(C2CCCCC2)s1 426192145 OZOXEUCRXNKKRU-UHFFFAOYSA-N 430.530 4.475 5 20 IIBD COc1ccc(C(=O)N2CCCC2)cc1NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 429061219 GBRLWMMBRBCECC-HNNXBMFYSA-N 426.473 4.031 5 20 IIBD O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 430489537 BXSWWXKGEXGEOD-CYBMUJFWSA-N 443.809 4.198 5 20 IIBD CC(C)n1c([C@@H]2CCCN2S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])nc2ccccc21 433687166 CLJYRLZULWARFY-SFHVURJKSA-N 432.477 4.190 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCC(OCC2CCCC2)CC1 434139871 ASXLXHXLPFTHJE-UHFFFAOYSA-N 430.423 4.347 5 20 IIBD Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CCc1cccc([N+](=O)[O-])c1 434334228 PLXJHGUECONAPO-QFIPXVFZSA-N 433.512 4.118 5 20 IIBD COc1cc2c(cc1OC)CN(C(=O)c1cccc3c(=O)c4cccc(F)c4[nH]c13)CC2 435815393 FDLCULIRBJWWNT-UHFFFAOYSA-N 432.451 4.036 5 20 IIBD Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 437349469 SXRZEDPHXNKKBG-MRXNPFEDSA-N 439.415 4.076 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCO[C@@H]3C[C@@H](N(C)C)CC[C@H]32)cc1[N+](=O)[O-] 437942936 WIAQYVZMNSYGOW-NLWGTHIKSA-N 435.590 4.057 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 442299824 DAXQBJGZQRKOOQ-INIZCTEOSA-N 448.266 4.080 5 20 IIBD O=C(NCCCCCN1CCCCC1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444015363 SZMUQMVZWKDCAN-UHFFFAOYSA-N 427.495 4.346 5 20 IIBD O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444643126 JTQRVFQTTZEKNO-UHFFFAOYSA-N 425.832 4.029 5 20 IIBD O=[N+]([O-])c1ccc2nc(CNCc3ccc(OC(F)F)c(Br)c3)[nH]c2c1 446838046 DLXHHTNNOXKTGK-UHFFFAOYSA-N 427.205 4.125 5 20 IIBD O=C(c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@H](O)C1 447660622 MLSDLBSWHNYMNJ-ZDUSSCGKSA-N 426.416 4.362 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCc4cc(Cl)ccc4C3)n2C[C@H]2CCOC2)c1 461361807 HYFFODOBUUHXDG-OAHLLOKOSA-N 439.903 4.106 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@@H]3Cc3ccccc3)n2C[C@H]2CCOC2)c1 461367030 QIVXODGJMSNGFL-TZIWHRDSSA-N 433.512 4.101 5 20 IIBD COc1ccc(S(=O)(=O)N(C)[C@@H](c2ccc(Cl)cc2)C(F)(F)F)c([N+](=O)[O-])c1 464430602 RTUJSUILKAYIAL-HNNXBMFYSA-N 438.811 4.181 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1nc2ccc(Br)cc2[nH]1 464577708 VSBNAPGBHYQBIS-MRVPVSSYSA-N 439.653 4.293 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Br)c(F)cc2F)c(Cl)c1 466471191 RRFVSZWMBZKOPU-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD CCc1ccc(C(=O)Nc2ccc(OC)cc2I)cc1[N+](=O)[O-] 468121738 RXJUVZPPHUIJOU-UHFFFAOYSA-N 426.210 4.023 5 20 IIBD O=C(N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 474972254 OYTVIBYGFSZDQV-IBGZPJMESA-N 426.270 4.466 5 20 IIBD COc1cc(CCNC(=O)Nc2ccc3nc(C4CC4)sc3c2)c([N+](=O)[O-])cc1OC 476850094 NZPZUMTVGDBOHR-UHFFFAOYSA-N 442.497 4.463 5 20 IIBD COc1ccc([C@@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)N2CCCC2)cc1 478747735 FLFZOQHEKFEQJM-HSZRJFAPSA-N 438.528 4.115 5 20 IIBD O=C(Nc1cccc(Oc2cccnn2)c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 479817521 KDRBKZPGKIZMEF-UHFFFAOYSA-N 434.330 4.371 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)c1[N+](=O)[O-] 480218990 OYTVEVARIKTLGL-UHFFFAOYSA-N 445.541 4.417 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1[N+](=O)[O-] 480682904 PRSQDXQWNSODMD-HNNXBMFYSA-N 435.571 4.115 5 20 IIBD Cc1ccc(NS(=O)(=O)c2c([N+](=O)[O-])ccc(C)c2C)cc1OCC1CCOCC1 481580823 LWAQCVCFPQBLCF-UHFFFAOYSA-N 434.514 4.126 5 20 IIBD CC(=O)NCCc1ccc(C(=O)COc2ccc(Cc3ccccc3)cc2[N+](=O)[O-])s1 481975252 UYFDFQGWFFGRMQ-UHFFFAOYSA-N 438.505 4.187 5 20 IIBD CCc1cc(=N[C@@H](c2nc(-c3ccncc3)no2)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 481978634 FAIMZFBFDDCIII-HXUWFJFHSA-N 445.483 4.290 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(F)ccc1Br 483155254 RXBLTJKRKTWUPU-UHFFFAOYSA-N 443.294 4.165 5 20 IIBD COc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 485123151 IWURZBCLPNZYLH-UHFFFAOYSA-N 443.319 4.217 5 20 IIBD CSc1cccc(C(=O)N2CCC3(CCN(Cc4ccccc4)C3)CC2)c1[N+](=O)[O-] 485484426 BEKMPOCSZYQWCF-UHFFFAOYSA-N 425.554 4.445 5 20 IIBD CCOC(=O)c1ccccc1N(CC)C(=O)c1sc(Br)cc1[N+](=O)[O-] 485490688 LFRSJGNLWHEJQP-UHFFFAOYSA-N 427.276 4.262 5 20 IIBD C[C@@H]1C[C@@H](CCNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CN1Cc1ccccc1 485512835 AQADSAWYUWJJSJ-NVXWUHKLSA-N 433.455 4.227 5 20 IIBD C[C@@H]1CCCCN1CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 485518562 LLTQOJORBTVNPX-OAHLLOKOSA-N 425.476 4.313 5 20 IIBD O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N(CC(F)(F)F)[C@@H]1CCCOC1 486204811 NSPIKPPLSPIPEQ-MRXNPFEDSA-N 438.402 4.357 5 20 IIBD C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCC[C@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 486726551 XJAKSCXVZHZVAB-YHYVQYDKSA-N 435.524 4.038 5 20 IIBD C[C@H]1CO[C@H](c2ccccc2Cl)CN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] 487636609 PUMKQZPYHIPVTF-XOBRGWDASA-N 440.887 4.179 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 487646406 CPNAZGVKLXCDGI-INIZCTEOSA-N 435.590 4.357 5 20 IIBD CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 489019035 RRNZSEBISYJUFD-HSZRJFAPSA-N 449.511 4.207 5 20 IIBD Cc1cc(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)cn(C)c1=O 489228085 XZNMBGIEHSBQCE-UHFFFAOYSA-N 426.860 4.120 5 20 IIBD CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 493158640 RKVBHYLHIJWPDW-GHTZIAJQSA-N 425.533 4.055 5 20 IIBD CCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 494007435 RGXRTKFDEHURPP-LBPRGKRZSA-N 439.390 4.137 5 20 IIBD COc1cc(C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c([N+](=O)[O-])cc1OCc1cscn1 494063099 RUFCUMSEXHWHOS-YXWQFLTLSA-N 431.514 4.193 5 20 IIBD Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CCc2c1cccc2[N+](=O)[O-] 495483703 VOCLCRIDPGOTMM-UHFFFAOYSA-N 427.258 4.054 5 20 IIBD CC(C)(C)C(=O)NC[C@@H]1CCCN(c2c([N+](=O)[O-])cnc3ccc(Br)cc23)C1 496915429 DXKPECJIDLLOPB-ZDUSSCGKSA-N 449.349 4.284 5 20 IIBD CS(=O)(=O)c1cccc(Nc2cccc(C[S@](=O)Cc3ccccc3)c2)c1[N+](=O)[O-] 497535661 XDKMDLBJUMJRGJ-GDLZYMKVSA-N 444.534 4.191 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3nc(-c4cccs4)ns3)cc2)c(C)c1[N+](=O)[O-] 497976287 LHTQRNXTHSOBNS-UHFFFAOYSA-N 440.510 4.289 5 20 IIBD COc1cc(CCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OC 499678759 SPWGDXVNKGZAPO-LSDHHAIUSA-N 439.295 4.381 5 20 IIBD CC(C)N(C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)c1ccc(Cl)c(Cl)c1 505073408 HTBJYPULQLQCFH-UHFFFAOYSA-N 438.267 4.069 5 20 IIBD O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1 505814138 VZTYZTKUOYBIPW-BLLLJJGKSA-N 438.324 4.247 5 20 IIBD CN(C(=O)CN[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 505829979 DJXWEMDJVVYVPI-INIZCTEOSA-N 435.324 4.470 5 20 IIBD O=C(N[C@@H](Cc1nc[nH]n1)c1ccccc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 506380111 UXIBLQALXJPTHH-NRFANRHFSA-N 442.479 4.039 5 20 IIBD O=C(NC1(Cc2cccc(F)c2)CCOCC1)c1ccc([N+](=O)[O-])cc1Br 508694154 FDZLXHRFPINPLZ-UHFFFAOYSA-N 437.265 4.018 5 20 IIBD O=C(Nc1ccccc1N1CCCC1)c1ccc([N+](=O)[O-])cc1I 508767881 AXBMJYNUTXHDEW-UHFFFAOYSA-N 437.237 4.052 5 20 IIBD C[C@@H](NCC1(c2ccc3c(c2)OCO3)CCCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] 513195489 COACLDNCAHWLPK-MRXNPFEDSA-N 425.485 4.142 5 20 IIBD COc1cc(C(=O)Nc2nncn2C2CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 514608371 RQAGGGJAVLTVJZ-UHFFFAOYSA-N 429.820 4.228 5 20 IIBD COc1cc(C(=O)NCc2cccc(NC(=O)c3ccc(C)cc3)c2)c([N+](=O)[O-])cc1OC 515739606 FJNVSJDNUXFSMQ-UHFFFAOYSA-N 449.463 4.103 5 20 IIBD COc1ccc(CNC(=O)N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)cc1[N+](=O)[O-] 516758328 UEZXEKVCOYAGRT-LBPRGKRZSA-N 427.379 4.105 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccccc2N(C)Cc2ccccc2)cc1[N+](=O)[O-] 517615283 YMRWCBHJDGMBLX-UHFFFAOYSA-N 427.482 4.041 5 20 IIBD CCc1nnc(CN[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)s1 519491357 OVFMHFPFLHAFKH-SFHVURJKSA-N 431.905 4.132 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(SCc2cccnc2)cc1 522846454 FABJCGAXZDCTLF-GOSISDBHSA-N 440.529 4.153 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 525324985 KHSZASOLHRGQAZ-UHFFFAOYSA-N 433.464 4.465 5 20 IIBD COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 533464632 KEXZMVWVTVMDOK-SFHVURJKSA-N 438.402 4.444 5 20 IIBD CN(C(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 533603844 KMEIDKODNXNBMG-UHFFFAOYSA-N 442.518 4.426 5 20 IIBD CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 534832425 QVYTXKBIINYWRS-GFCCVEGCSA-N 434.290 4.297 5 20 IIBD O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1Br 535991618 REJKNZMMZAZUHG-UHFFFAOYSA-N 441.181 4.057 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(I)c(C)n1 537709827 LCJGPFYETFPTEK-UHFFFAOYSA-N 425.226 4.080 5 20 IIBD C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c2ccccc2S1 539232923 MJUPBJQJVMFLLR-LLVKDONJSA-N 443.344 4.437 5 20 IIBD C[C@H](C[S@@](C)=O)NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 541502406 SIGGXFLGJKZBFQ-SUZVAJBCSA-N 446.472 4.262 5 20 IIBD CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)CC2 542601198 NNRBGYKZUXXXCO-RTWAWAEBSA-N 448.585 4.269 5 20 IIBD Cc1nn(Cc2ccc(-c3nc(-c4ccnc(OC5CCC5)c4)no3)cc2)c(C)c1[N+](=O)[O-] 545050942 PDTWGKHTOFIDAV-UHFFFAOYSA-N 446.467 4.500 5 20 IIBD O=c1c2ccccc2cnn1Cc1nc(-c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)no1 545057248 IFAHHHJEIUIPNA-UHFFFAOYSA-N 441.403 4.195 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CC[C@@H](c4cccc(F)c4)C3)n2C[C@H]2CCOC2)c1 550050223 WHWVTTKMYSWIPN-VQIMIIECSA-N 437.475 4.023 5 20 IIBD Cc1nn(C)c(Oc2cccnc2)c1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 550687818 SCCMGLHGQPPMEV-UHFFFAOYSA-N 446.261 4.147 5 20 IIBD CCc1ccc([C@@H]2CCCN(C(=O)c3cc(OC)c(OCCOC)cc3[N+](=O)[O-])C2)cc1 552383263 YAKOVSIOFOAIIM-LJQANCHMSA-N 442.512 4.211 5 20 IIBD O=C(Nc1cc(F)c(N2CCOCC2)cc1F)c1csc(-c2cccc([N+](=O)[O-])c2)n1 552750767 KJJRIIMUGVRKQZ-UHFFFAOYSA-N 446.435 4.085 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)cc1[N+](=O)[O-] 553620641 UWVZELOLJXNMJW-HIFRSBDPSA-N 439.438 4.306 5 20 IIBD Cc1sc2ncnc(SCCC(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc34)c2c1C 556164703 BHHNHUFYPRJICG-UHFFFAOYSA-N 428.499 4.214 5 20 IIBD C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](c1cncc(Br)c1)C1CC1 556608608 ITWBOPURGFRNML-BUXKBTBVSA-N 433.306 4.210 5 20 IIBD CCOc1cc(CN2CC3(CCC3)[C@H]2C2CC2)ccc1OCCn1c([N+](=O)[O-])cnc1C 558570987 ZZIGVOLVDZIEPV-HSZRJFAPSA-N 440.544 4.342 5 20 IIBD C[C@H](NC(=O)Nc1cccc(F)c1I)c1cccc([N+](=O)[O-])c1 559845224 MOANRSRFCCCSSL-VIFPVBQESA-N 429.189 4.221 5 20 IIBD Cn1ccnc1[C@H](N[C@H]1CCN(c2ccccc2C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 560547905 HXNKSNNHIUHNAO-OXJNMPFZSA-N 445.445 4.305 5 20 IIBD C[C@H](Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 561448847 UXKKCXMBQUYVSX-AWEZNQCLSA-N 437.481 4.445 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@@](F)(c2ccccc2F)C1 576448307 PPAAQACQOOAXPE-SFHVURJKSA-N 425.229 4.136 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](COc1ccccc1)c1ccccc1 583054173 HHKIWFXSCKUHTR-JOCHJYFZSA-N 433.464 4.032 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CN2CCC(Cc3cccnc3)CC2)c1 589258134 ZVFIOGZWRNCVPZ-UHFFFAOYSA-N 437.281 4.049 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)CCCC2)c1 603966397 QCOJDPPMIYHSMA-KRWDZBQOSA-N 430.526 4.176 5 20 IIBD O=C(CCN1CCCCC1)Nc1cccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c1 609429643 VZFNVYPGEXLEGS-UHFFFAOYSA-N 435.484 4.143 5 20 IIBD CC(C)n1cnnc1[C@@H]1CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 609522867 OLLGATNUIWHPAO-HXUWFJFHSA-N 448.527 4.399 5 20 IIBD CC(C)(C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1)c1ccc([N+](=O)[O-])cc1 610047535 CYZBRSBUCIRGOJ-INIZCTEOSA-N 432.318 4.030 5 20 IIBD COc1cc([C@H]2Nc3ccc(C)cc3C(=O)N2C)c([N+](=O)[O-])cc1OCC(F)(F)F 610162394 ZJHVRTUIPUQEII-KRWDZBQOSA-N 425.363 4.049 5 20 IIBD O=C(NCc1cccc(OCc2ccccn2)c1)c1cc(Br)cc([N+](=O)[O-])c1 610899984 FJCSAMXOAPKZLC-UHFFFAOYSA-N 442.269 4.261 5 20 IIBD COC[C@@H](N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)C1CC1 610999344 HGMJJMYWBKCSGK-MOPGFXCFSA-N 448.317 4.052 5 20 IIBD CCOCCCN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)[C@@H](C)C1 611206229 ZPOKTRATEISASQ-UWJYYQICSA-N 449.617 4.496 5 20 IIBD O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CC[C@]2(C1)C(=O)Nc1ccccc12 614534038 GRFXCBFVPWFSQA-XMMPIXPASA-N 445.500 4.482 5 20 IIBD COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 618858210 MESKBAKENWLEBR-GOSISDBHSA-N 440.496 4.225 5 20 IIBD CCOc1ccc(-c2noc(COC(=O)c3cc([N+](=O)[O-])ccc3Br)n2)cc1 725984751 BKSAAXWDUNDESV-UHFFFAOYSA-N 448.229 4.163 5 20 IIBD CC(C)c1nc(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cs1 726526581 KMQUERFSMWWJEA-MRXNPFEDSA-N 431.514 4.417 5 20 IIBD CN1CCN(C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc2C1 728834200 SGDKMDWXMZXCOE-UHFFFAOYSA-N 425.432 4.184 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCc2nnc(-c3ccccc3Cl)o2)cc1SC 728836795 DPZYVTSAJNKBJM-UHFFFAOYSA-N 435.845 4.386 5 20 IIBD C[C@H](OC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1cccc([N+](=O)[O-])c1 728922452 ZTXGLOWDYCRSMF-INIZCTEOSA-N 440.477 4.338 5 20 IIBD CN(C(=O)COC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)no1)c1ccc([N+](=O)[O-])cc1 730859245 LRLQOYADRIWIQV-UHFFFAOYSA-N 449.341 4.088 5 20 IIBD Cc1c(C(=O)NCc2ccnc(OC3CCC(C)CC3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 733760549 FYTALZMNZIQRMK-UHFFFAOYSA-N 428.445 4.094 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 735252055 YWTCZAYBUHITTE-UHFFFAOYSA-N 446.379 4.128 5 20 IIBD Cc1oc(-c2ccccc2F)nc1C(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 738672911 XUGPJILCQAQAKY-UHFFFAOYSA-N 433.779 4.146 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 739472002 UFRSKDZHNBBCEH-LSDHHAIUSA-N 432.502 4.350 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N[C@H](CCO)c2cccs2)c([N+](=O)[O-])c1 740871031 NLMJQVVZBLSOSB-GOSISDBHSA-N 440.477 4.210 5 20 IIBD O=C(NCCCc1cccc(Cl)c1)c1cc([N+](=O)[O-])ccc1I 745805633 CLOVJENXPIXZJI-UHFFFAOYSA-N 444.656 4.215 5 20 IIBD Cc1cc(=O)c(C(=O)OCc2cc(Cl)ccc2[N+](=O)[O-])nn1-c1cccc(Cl)c1 746076223 BNEUFJYTUSCSPO-UHFFFAOYSA-N 434.235 4.113 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 747422256 UFSZWBQTTYQMNN-STQMWFEESA-N 445.438 4.379 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1cc(-c2ccoc2)nn1-c1ccccc1 747684833 LNQAVTRUJXRZLL-UHFFFAOYSA-N 428.408 4.029 5 20 IIBD CC(=O)Nc1ccc(NC(=O)COc2cc([N+](=O)[O-])ccc2Cl)c(C(F)(F)F)c1 747811640 WQSLTHHMYMQJIP-UHFFFAOYSA-N 431.754 4.243 5 20 IIBD Cc1ccc(C(=O)N2CCSCC2)cc1OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 749539682 VVBCGFWLPVMGBI-HNNXBMFYSA-N 446.550 4.178 5 20 IIBD CCNC(=O)c1cccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)c1 750828703 BYHZSVSTCXAFJR-UHFFFAOYSA-N 426.654 4.013 5 20 IIBD C[C@H](O)CN(Cc1ccccc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 750885823 DOTSGXWJYFWPAX-NSHDSACASA-N 427.682 4.034 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@H]1C[C@@H](O)c1cccs1 751191610 UFMBUUROHSRKNU-HTAPYJJXSA-N 432.545 4.331 5 20 IIBD COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 751985797 FXBDLPIPJUXGAM-GFCCVEGCSA-N 435.889 4.153 5 20 IIBD CC[C@@H]1CC[C@H](C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)O1 757120878 AALDJTHTHQUUEQ-LZQZEXGQSA-N 432.860 4.429 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 758845450 ISRODEUCWZRANK-ZIAGYGMSSA-N 440.928 4.083 5 20 IIBD CC(C)CC(=O)Nc1ccc(C(=O)O[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1F 759948434 YSYRRLMLTKBMFH-ROUUACIJSA-N 432.452 4.256 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N[C@@H](CO)c1ccc(C(F)(F)F)cc1 759980139 IXYHJRWSPPSLLY-ZDUSSCGKSA-N 448.195 4.231 5 20 IIBD CC(C)(C)OC(=O)N1CCC(Cc2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)CC1 762310773 YAPZPCXCLRMNNI-UHFFFAOYSA-N 441.488 4.240 5 20 IIBD CC(C)[C@@H](OC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(=O)N[C@@H]1CCOc2ccccc21 763715033 GNZAXWOFBINNBK-VQIMIIECSA-N 432.860 4.070 5 20 IIBD CN(CC(F)F)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC1 764420106 QEXDVLVQURQZKD-UHFFFAOYSA-N 427.517 4.431 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(N2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)cc1Cl 765487560 BDBZSAPOWAGGOM-UHFFFAOYSA-N 441.875 4.204 5 20 IIBD O=C(OCc1cc(=O)c(O)co1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 767741745 MTSDSWPEIWARMD-UHFFFAOYSA-N 433.825 4.415 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)c1 769765579 CXCGLBQQRJOQNB-UHFFFAOYSA-N 449.548 4.168 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccc(N2CCCC2)c(Cl)c1 770416072 JTUJAROFLPJJSW-UHFFFAOYSA-N 426.860 4.414 5 20 IIBD CCc1nn(C)cc1C(=O)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 771156248 BGOJLCSMVRNYRQ-IBGZPJMESA-N 442.859 4.081 5 20 IIBD Cc1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)n([C@H]2CCN(Cc3ccccc3)C2)n1 772270295 WFNKAWTXBRIUOP-FQTAANOTSA-N 431.496 4.199 5 20 IIBD O=C(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 777936655 ABCYLVCMAVLCJK-UHFFFAOYSA-N 435.318 4.024 5 20 IIBD CC(C)(C)OC(=O)N1CC=C(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 778114363 ZKGHLISFXAHXMQ-UHFFFAOYSA-N 441.937 4.024 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cnn(-c2ccccc2)c1Br 782165093 YXCOUKVTHFLLGO-UHFFFAOYSA-N 449.692 4.469 5 20 IIBD CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1=S 782858593 BIJWPINCNCGHMI-UHFFFAOYSA-N 447.952 4.154 5 20 IIBD O=C(Nc1ccccc1N1CCOC1=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 783079693 KBRXTIFYWSYONF-UHFFFAOYSA-N 433.420 4.383 5 20 IIBD Cc1ccc(N2CCN(C(=O)c3ccc(N[C@@H](C)c4ccccn4)c([N+](=O)[O-])c3)CC2)cc1 784331425 DGPDWICCAKCWPH-IBGZPJMESA-N 445.523 4.434 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)O[C@@H](C)c3cccnc3)cc2)cc1[N+](=O)[O-] 785544262 LPYTUEWUPQSBQM-HNNXBMFYSA-N 441.465 4.017 5 20 IIBD C[C@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1nnnn1C1CCCCC1 787677215 FOKJJMBQBHWEDG-LBPRGKRZSA-N 428.474 4.128 5 20 IIBD CCOc1cc(C(=O)O[C@H](C)C(=O)c2ccccc2C(F)(F)F)c([N+](=O)[O-])cc1OC 789004701 VNMDHYYQXJBITO-LLVKDONJSA-N 441.358 4.449 5 20 IIBD C[C@@H]1CCCCN1CCC1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 790895251 ILCSDIHFAXZWHP-OAHLLOKOSA-N 425.932 4.433 5 20 IIBD O=C(CCc1nc2ccccc2o1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791175148 VVKXUONHPTWCRP-UHFFFAOYSA-N 430.258 4.016 5 20 IIBD COc1ccc([C@H]2CCCN2CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)cc1 795406078 OTBPSMXLSDITKL-GOSISDBHSA-N 446.301 4.116 5 20 IIBD CC(=O)CCc1ccc(OC[C@@H](O)COc2cc(Cl)c(Cl)cc2[N+](=O)[O-])cc1 795550340 BDQXAKXPMUZLDR-CQSZACIVSA-N 428.268 4.242 5 20 IIBD CC(C)(C)OC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@H](c2ccncc2)C1 800334147 BGLSEQOWUVKHGB-SFHVURJKSA-N 446.891 4.077 5 20 IIBD CC(C)[C@@H](C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)N(C)C 803697006 FNVXPSMQIYKWEX-RBUKOAKNSA-N 433.892 4.057 5 20 IIBD O=C(c1cc([N+](=O)[O-])c2nsnc2c1)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 807867854 PACBPQWEGULNES-UHFFFAOYSA-N 425.445 4.240 5 20 IIBD COc1cc(Br)ccc1OC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] 809299419 FOVIEZQWAWMWNW-UHFFFAOYSA-N 428.260 4.316 5 20 IIBD O=C1CCCN1Cc1ccc(-c2noc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)n2)cc1 809408157 ZDYZQRFMMWUENQ-UHFFFAOYSA-N 433.468 4.034 5 20 IIBD O=C(NC[C@@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1)OCc1ccccc1 809915620 ZPEGSTWSNBLBMZ-INIZCTEOSA-N 446.891 4.419 5 20 IIBD C[C@H](Cc1c(F)cccc1F)NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811373489 GFOGYTZOWDEOSK-SECBINFHSA-N 447.221 4.084 5 20 IIBD CC(C)NS(=O)(=O)Cc1ccccc1CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811478523 KSFDBHNPMKEBSU-UHFFFAOYSA-N 446.356 4.019 5 20 IIBD COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1Cl 811831793 HAHYXUOMBXFWPQ-SNVBAGLBSA-N 435.285 4.116 5 20 IIBD O=C(OCCC1CCOCC1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 814436287 MHCDHCANIZTRBV-UHFFFAOYSA-N 430.423 4.190 5 20 IIBD CCOc1cc(C(=O)N[C@H]2CCc3nc(C4CCCCC4)[nH]c3C2)c([N+](=O)[O-])cc1OC 816396016 CGDCQSJWRSTFMQ-HNNXBMFYSA-N 442.516 4.060 5 20 IIBD CSc1cccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)c1[N+](=O)[O-] 816846555 CZKMWVBHIHDPFO-AWEZNQCLSA-N 435.546 4.369 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC12CCC2 816848379 ZOQVIDQPEIATQN-GOSISDBHSA-N 446.548 4.225 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cnc2c(cnn2Cc2ccccc2)c1 818038735 JLHITXDYSNVFIJ-UHFFFAOYSA-N 435.871 4.313 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)Oc2ccccc2C(C)C)CC1 897781482 YIDOHIGNMPEUNC-UHFFFAOYSA-N 446.525 4.033 5 20 IIBD COc1ccc(Cc2noc(-c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)n2)cc1OC 904479549 DSKDGNYAJURTGR-UHFFFAOYSA-N 438.484 4.489 5 20 IIBD Cc1ccc(OCCC(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)cc1C 912988962 ZUOBZGVSLKESOI-UHFFFAOYSA-N 438.484 4.468 5 20 IIBD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)n1-c1nccs1 914612838 BKJSPDZXWQYTCX-GFCCVEGCSA-N 448.888 4.296 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ccc(N3CCOC3=O)cc2)cc1)c1cccc([N+](=O)[O-])c1 915274348 WMKNUAPYMPNNMA-UHFFFAOYSA-N 447.403 4.023 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=S)Nc2cc(Cl)cc(Cl)c2)CC1 915274590 DLPWZLGVGCDMBK-UHFFFAOYSA-N 445.353 4.118 5 20 IIBD COc1cccc(SCC(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)c1 916036251 HGDGIWRKINHUKE-UHFFFAOYSA-N 442.497 4.183 5 20 IIBD C[C@H](OC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc2ncccc12 920778445 JJWJMIVOCYVMEK-STQMWFEESA-N 443.843 4.134 5 20 IIBD Cc1nc2ccccc2c2c(NC(=O)c3ncc(C(N)=O)cc3Cl)c3ccccc3n12 1116352774 XINGSUIVUHZPRT-UHFFFAOYSA-N 429.867 4.349 5 20 IIBD CCCN(Cc1nc(O)c2sccc2n1)C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] 1318475865 VUULUSBTRBJAGK-UHFFFAOYSA-N 448.526 4.088 5 20 IIBD O=C(Nc1cccc(CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c1)c1ccc(F)cc1 1318826488 BWDKMZUSTSLSMK-UHFFFAOYSA-N 434.427 4.212 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C1 1323838292 NZHLSCINHDPZLW-CHWSQXEVSA-N 435.912 4.321 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(Cn1nc(-c3ccccc3F)n(C3CC3)c1=S)CC2 1332053637 RZEFPHYHTIWXGU-UHFFFAOYSA-N 425.489 4.479 5 20 IIBD O=C(c1ccc(Br)c(OC(F)(F)F)c1)N1Cc2ccc([N+](=O)[O-])cc2C1 1344636649 CYAYUNCXJWBIBL-UHFFFAOYSA-N 431.164 4.412 5 20 IIBD CCCN(C[C@@H]1COc2ccccc2O1)C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] 1346198380 UXFODPWQZWJOQC-CQSZACIVSA-N 432.498 4.018 5 20 IIBD O=C(NCCc1nccn1C(F)F)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 1349979355 RKFJWIXWIBRZAD-UHFFFAOYSA-N 449.845 4.424 5 20 IIBD Cc1ccoc1C(=O)NC1(c2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)cc2)CCC1 1785791705 LVRJTMVIULRBIJ-UHFFFAOYSA-N 433.464 4.487 5 20 IIBD Cc1nc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])cc4F)CCC3)cc2)co1 1787395971 GPVRNGXTYCLNAA-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD CC[C@H](C(=O)Nc1ccc(C2(NC(=O)c3nc[nH]c3[N+](=O)[O-])CCC2)cc1)c1ccccc1 1787646586 PNNRWTQQGAECNP-IBGZPJMESA-N 447.495 4.259 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CCC[C@@H]4C)CCC3)cc2)ncc1[N+](=O)[O-] 1788766344 HHRWUBAITLQGQA-KXBFYZLASA-N 436.512 4.482 5 20 IIBD O=C(CCc1cccs1)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1 1790184418 PLEBSJPYBZUISC-UHFFFAOYSA-N 438.509 4.365 5 20 IIBD CCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3nc(OC)ccc3[N+](=O)[O-])CCC2)cc1 1791260635 XSYPJDFRACBUKB-UHFFFAOYSA-N 440.500 4.182 5 20 IIBD Cc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2cccc([N+](=O)[O-])c2)cc1 1793944261 PAUZKXPYCKNXPY-NUNAXRQHSA-N 449.551 4.107 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC2(CCN(C(=O)CSc3ccccc3[N+](=O)[O-])CC2)C1 1805788373 OIFBYEJHHBNREA-SFHVURJKSA-N 447.601 4.354 5 20 IIBD CC(C)/C=C/C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cccc([N+](=O)[O-])c2)n[nH]1 1815538668 HETZCFDDOAVBJT-RGFVMQALSA-N 439.516 4.155 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC([C@H]2CCCCN2C(=O)c2cccs2)CC1 1825777825 KEPPGTCSGQVXFT-LJQANCHMSA-N 445.516 4.343 5 20 IIBD Cc1cc(C)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)c1 1829834489 NXQNKXQLOUVMSD-OAQYLSRUSA-N 438.528 4.087 5 20 IIBD O=C([C@@H]1CCC[C@H]2CCCC[C@@H]21)N1CC2(CCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 1845403389 LKTYSXQCUCPDCC-TYCQWZJGSA-N 443.519 4.157 5 20 IIBD CCCn1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nnc1-c1ccncc1 9667052 HRTZDOFWUSTLMK-LBPRGKRZSA-N 446.920 4.431 5 20 IIBD CSc1ccc(NC(=O)COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 10723487 VLXBTDHMAVYRCK-UHFFFAOYSA-N 432.501 4.059 5 20 IIBD COc1cc(CCNC(=O)CSc2ccc3ccccc3c2)c([N+](=O)[O-])cc1OC 11082086 VTHYKNNHHXOBFW-UHFFFAOYSA-N 426.494 4.216 5 20 IIBD Cc1cc(C)nc(Sc2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)n1 11285847 ABVDTIGIKBHYJS-UHFFFAOYSA-N 425.426 4.313 5 20 IIBD COc1c([N+](=O)[O-])cc(NC[C@@H](c2cccs2)N(C)C)c([N+](=O)[O-])c1Br 14215289 FNMPDVCDHOFODD-NSHDSACASA-N 445.295 4.050 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])OCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 19312399 YHOZDDHNKMISRH-UHFFFAOYSA-N 444.459 4.017 5 20 IIBD C[C@@H](OC(=O)CCSc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 22038610 SBFAFFXDNNQYOC-LLVKDONJSA-N 426.853 4.440 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 22412180 DCXYWMAEUXXPMQ-UHFFFAOYSA-N 426.454 4.348 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3Cc4ccccc4C[C@@H]3C(N)=O)cc2[N+](=O)[O-])cc1 60677459 XSRMNPDEAJIBDE-OAQYLSRUSA-N 447.516 4.107 5 20 IIBD CCOC(=O)CN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(F)cc1 64933754 ZDLVHGWYKRZDQG-UHFFFAOYSA-N 429.429 4.067 5 20 IIBD Cc1c(CSc2nnc(N3CCC(C)CC3)n2C[C@H]2CCCO2)cccc1[N+](=O)[O-] 107757504 ZNYDLIVFNNYUQJ-GOSISDBHSA-N 431.562 4.202 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 217376078 AACTVHVRMVVQLN-SNVBAGLBSA-N 427.244 4.269 5 20 IIBD O=C(NCCCNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1cccs1 237880325 CGPIXQGJQIYURR-UHFFFAOYSA-N 429.473 4.497 5 20 IIBD CC(C)(C)c1ccc([C@H](O)CNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)cc1 301325039 YDJAYPIATNULFA-LJQANCHMSA-N 442.903 4.237 5 20 IIBD O=C(NC1CC1)c1ccc(N2CCC[C@H](c3nc4c(s3)CCCC4)C2)c([N+](=O)[O-])c1 301712017 IFAFBVNCXHXKQJ-HNNXBMFYSA-N 426.542 4.206 5 20 IIBD O=C(c1cc(N2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)ccc1[N+](=O)[O-])N1CCCC1 301725388 UQRRRUYYGINOEO-XUZZJYLKSA-N 448.567 4.322 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N1CCC(c2ccncc2)CC1 302807293 XQJKTPNNRAABCP-UHFFFAOYSA-N 438.509 4.175 5 20 IIBD CN(Cc1ccccc1Br)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 388465480 HUKFNYUKTWLXOY-UHFFFAOYSA-N 428.080 4.392 5 20 IIBD O=C([C@@H]1C[C@@]12CCc1cc(Br)ccc12)N1CCc2ccc([N+](=O)[O-])cc2C1 409796937 LIIDOKJJDHFODM-PZJWPPBQSA-N 427.298 4.146 5 20 IIBD CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 426222267 JJMMVVDREAOWSG-DIFFPNOSSA-N 429.370 4.328 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cc(C)c(Br)c(C)c2)cc1[N+](=O)[O-] 426288089 HXTFPFXRORFKOB-CYBMUJFWSA-N 434.290 4.098 5 20 IIBD COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 426497251 QNKGPHUFLAWJFD-UHFFFAOYSA-N 449.385 4.444 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 428927943 GLSYZBXOZZIBQN-LIRRHRJNSA-N 437.418 4.323 5 20 IIBD CN(CCCNC(=O)C1CCC1)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 429753938 SNTIFOKADPATLV-UHFFFAOYSA-N 426.473 4.157 5 20 IIBD CC1CCN(Cc2csc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])n2)CC1 431519604 MBPXREDCCDENCZ-UHFFFAOYSA-N 439.335 4.298 5 20 IIBD CCc1cc(=N[C@@H](C)c2noc(Cc3ccccc3)n2)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 431805190 QMJSRBQCOQXIHN-HNNXBMFYSA-N 430.468 4.183 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc([C@@H](C)Nc2ccnc3c([N+](=O)[O-])cccc23)cc1 432334158 JCOZDGVDRYQTBS-OAHLLOKOSA-N 428.514 4.347 5 20 IIBD CC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])CC2)cc1 433850372 ZJVQEKCUYHJLFO-UHFFFAOYSA-N 426.517 4.375 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](c2ccccc2F)C1 437437889 GTNYVCFEFQMCSW-HDJSIYSDSA-N 432.473 4.065 5 20 IIBD Cc1ccc2c(c1)N(S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)CCC2 438772911 LJXQJZOKPTWKMO-UHFFFAOYSA-N 425.304 4.116 5 20 IIBD CN(C(=O)c1ccc(COc2cccc(Br)c2)o1)c1ccc([N+](=O)[O-])nc1 439291321 AIRUDROVOHZFLE-UHFFFAOYSA-N 432.230 4.201 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1(c2cccs2)CCCCC1 440056240 YPQUOHXHDYZLJU-UHFFFAOYSA-N 431.514 4.012 5 20 IIBD CC(=O)c1ccc(OCC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)c([N+](=O)[O-])c1 440881420 OYSPZXVZUGWHFE-UHFFFAOYSA-N 436.386 4.386 5 20 IIBD O=C(Cc1csc(COc2ccc(Cl)cc2)n1)N1CCc2ccc([N+](=O)[O-])cc2C1 446422897 QFJBMKHPUFPHBX-UHFFFAOYSA-N 443.912 4.411 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)c(C(F)(F)F)c1 447039228 HSUXNSNBSCWIJI-KBXCAEBGSA-N 444.431 4.060 5 20 IIBD CCC[C@H](C)NC(=O)[C@H]1CCCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 447673553 YVSMHKGCMHWCHK-RYUDHWBXSA-N 438.397 4.165 5 20 IIBD O=C(C1CCCCC1)N1CC[C@@H](Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 447674723 GFCQGGHMPFFKLQ-GFCCVEGCSA-N 436.381 4.237 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1[N+](=O)[O-])c1ccccn1 461322207 BXSBQNDBIRRPCN-KNXBSLHKSA-N 436.512 4.337 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNc1ccc(CCn2cc(Br)cn2)cc1 462236378 VVBYHRTXOKXMCC-UHFFFAOYSA-N 431.290 4.417 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C[C@@H]1C[C@H]2C=C[C@H]1C2)C1CCN(C)CC1 464685543 BTLAKHJYKVRULQ-XSLAGTTESA-N 447.963 4.151 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 465273430 GBVSISKCPKOBKS-NSHDSACASA-N 444.904 4.221 5 20 IIBD COc1ccccc1-c1noc([C@@H](C)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 466503178 BOYWGUAOICALJM-OAHLLOKOSA-N 439.472 4.335 5 20 IIBD CC(C)CCOc1ccc(NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1 467383439 SZDLWNQZRUAUJI-UHFFFAOYSA-N 446.529 4.071 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 468065686 RJPPABIRTAZCNF-MRXNPFEDSA-N 444.879 4.307 5 20 IIBD Cc1coc(-c2ccc(C)c(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)c2)n1 470093906 MVMRXTLZJMZKKI-INIZCTEOSA-N 440.481 4.171 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)c2ccc(=O)n(Cc3csc(C(C)C)n3)c2)cc1[N+](=O)[O-] 472330665 VVYWQKSGZRDCRP-OAHLLOKOSA-N 440.525 4.184 5 20 IIBD C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c2cccc(Cl)c2O1 473432118 JGYTZGZBASWABU-SECBINFHSA-N 436.795 4.243 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1nc(-c2cc3ccccc3o2)cs1 477550176 HSVHCBYFDPIBRF-UHFFFAOYSA-N 436.449 4.028 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)c1ccc([N+](=O)[O-])cc1Br 477978642 VDNPPCCNGVPVEF-MWLCHTKSSA-N 446.120 4.467 5 20 IIBD COc1ccc([C@@H]2NC(=O)N(Cc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C2=O)cc1Cl 479186109 UFPDXXPGTFTRNA-HNNXBMFYSA-N 443.765 4.069 5 20 IIBD Cc1c(CNC(=O)N(C)[C@H]2CCOc3ccc(Br)cc32)cccc1[N+](=O)[O-] 480076207 VMLLULSTMXBDOC-KRWDZBQOSA-N 434.290 4.331 5 20 IIBD CCCOc1cc(NC(=O)N2CC[C@@H]3[C@@H](CCCN3C)C2)c([N+](=O)[O-])cc1OCCC 482749377 SSBCGMWHAGAZJN-FUHWJXTLSA-N 434.537 4.120 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ncccn3)cc2C)cc1SC 483434114 CFSNTNSTYZPATR-UHFFFAOYSA-N 426.454 4.468 5 20 IIBD CCN(C(=O)c1cc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)ccc1Cl)C(C)C 487680119 UDWJCYWDZMQMRA-UHFFFAOYSA-N 449.891 4.145 5 20 IIBD O=C(NCc1ccnc(Oc2ccccc2F)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 487682471 BMPRNEKDXDTPMR-UHFFFAOYSA-N 436.443 4.451 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2nncn2C2CC2)CC1 488240845 VNBVCCGGVPKWHS-UHFFFAOYSA-N 429.546 4.289 5 20 IIBD CCNC(=O)Nc1ccc(C)c(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 490319112 AREQOSRURBIDHQ-UHFFFAOYSA-N 441.488 4.120 5 20 IIBD O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 492776607 VAZIUJGCPGGXHT-UHFFFAOYSA-N 426.860 4.422 5 20 IIBD CCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)[C@H](c1cccnc1)c1ccc(F)cc1F 496565545 ANLJOONGAWBGLH-OAQYLSRUSA-N 437.406 4.396 5 20 IIBD O=C(NCc1cc(Br)cc2c1OCC2)c1cc([N+](=O)[O-])ccc1C(F)(F)F 500181340 UITOTUTUBUFLGW-UHFFFAOYSA-N 445.191 4.241 5 20 IIBD O=C(Nc1ccc(F)cc1OCCC(F)(F)F)c1cc2c(cc1[N+](=O)[O-])OCCO2 500233562 RRTJYBXUWKXYFD-UHFFFAOYSA-N 430.310 4.089 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1 501710780 CBONREKKBJCJBG-UHFFFAOYSA-N 447.516 4.457 5 20 IIBD COc1cc([C@@H](C)NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)ccc1OC1CCCC1 503475357 LMOSWSNCNUYEJK-MRXNPFEDSA-N 448.541 4.148 5 20 IIBD COc1ccc([C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C(F)(F)F)cc1 505408117 IYYOFXDUAMPRPU-INIZCTEOSA-N 447.207 4.328 5 20 IIBD O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)c1ccc(Br)cc1[N+](=O)[O-] 505979922 XJGYPJZPHGEXQF-UHFFFAOYSA-N 444.207 4.488 5 20 IIBD C[C@@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccccc2)cc1 506335366 PXJGPDHQUDQQBX-QGZVFWFLSA-N 433.464 4.384 5 20 IIBD Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 506921346 ILIXUXHRTZULKD-DLBZAZTESA-N 435.402 4.313 5 20 IIBD COc1ccc(CN2CCC(O)(C(F)(F)F)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 508642005 VDWLDQJUVXURQH-UHFFFAOYSA-N 440.418 4.072 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2ccccc2OCCn2ccnc2)cc1[N+](=O)[O-] 509647844 FCLULDGULIUSEG-UHFFFAOYSA-N 445.273 4.194 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCC(OCC3CCCC3)CC2)cc1[N+](=O)[O-] 510459030 HWYLXHOFHAMNOG-UHFFFAOYSA-N 425.323 4.477 5 20 IIBD COc1cc(C(=O)N(C)CCOc2ccc(OCc3ccccc3)cc2)ccc1[N+](=O)[O-] 510708520 ZRPBFFHZFFSXMM-UHFFFAOYSA-N 436.464 4.333 5 20 IIBD Cc1ccc(NC(=O)Cc2noc(-c3cc(Br)c(C)c([N+](=O)[O-])c3)n2)cc1 512289699 OQEDGCDQQKELLN-UHFFFAOYSA-N 431.246 4.205 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(C)C 512589781 BKJATACIIBRQNQ-QHCPKHFHSA-N 435.480 4.079 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)c(C(F)(F)F)c1 512986642 XKZZGOSNLQLYOR-GUYCJALGSA-N 444.431 4.060 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1-c1cn[nH]c1 513647058 DLHHDJSLFBNYID-UHFFFAOYSA-N 448.220 4.150 5 20 IIBD Cc1c(OCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)cccc1[N+](=O)[O-] 515487682 NSGLNGCXXQCDSE-UHFFFAOYSA-N 440.477 4.348 5 20 IIBD CCS(=O)(=O)Nc1ccc(Nc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])cc1 515554980 MCFMDEUROCXIOX-UHFFFAOYSA-N 425.466 4.331 5 20 IIBD O=C(NCc1cccc(Cn2cccn2)c1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 515993716 YBVCUGHFZYJFBP-UHFFFAOYSA-N 441.491 4.382 5 20 IIBD COc1cccc2[nH]cc(Cc3noc(-c4ccc([N+](=O)[O-])cc4Br)n3)c12 517788893 BGITVPUNZGVGCI-UHFFFAOYSA-N 429.230 4.488 5 20 IIBD O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1csc(-c2ccc3c(c2)OCCO3)n1 518733827 WJUFVQCIGHSWFW-UHFFFAOYSA-N 449.448 4.132 5 20 IIBD CC(C)Cc1ccc(C(=O)C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 519002067 JSQLBFZMYLGPNB-UHFFFAOYSA-N 430.526 4.077 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1cccc(Br)c1 520254767 NOQLSFVGNGEOGX-GOSISDBHSA-N 434.290 4.283 5 20 IIBD Cc1cc(=O)c(-c2nc(-c3c(Cl)cccc3Cl)no2)nn1-c1ccccc1[N+](=O)[O-] 520274107 WDUJPGDQPRMFDL-UHFFFAOYSA-N 444.234 4.473 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 520977862 PCLFOMCIOYOAFZ-INIZCTEOSA-N 434.496 4.369 5 20 IIBD CSCc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2I)c1 521870901 QMBUMSQNUWDQHD-UHFFFAOYSA-N 428.251 4.315 5 20 IIBD C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 521930696 ZGYHYYOCQSVJCD-JLTOFOAXSA-N 440.887 4.251 5 20 IIBD Cc1c(C(=O)N[C@@H](Cc2ccccc2)c2cccs2)nnn1-c1cccc([N+](=O)[O-])c1 522582795 SBYSQWGLBSJOGK-IBGZPJMESA-N 433.493 4.259 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)c1cnn2cccnc12 522734224 FQYPVYUYDJVOCS-UHFFFAOYSA-N 441.806 4.152 5 20 IIBD CCN(CC)CCOc1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OC 522756617 SLLOWZVELRKTDJ-UHFFFAOYSA-N 427.457 4.323 5 20 IIBD CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc([N+](=O)[O-])cc1Br 523504279 NVNWDFKBTQESNF-UHFFFAOYSA-N 440.725 4.215 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)Nc1cnc(-c2ccccc2)nc1)c1ccccc1[N+](=O)[O-] 530625866 YGROBVLGCFMWFI-IBGZPJMESA-N 449.467 4.256 5 20 IIBD CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 531179218 QWFJFIAIQRHEDA-NOBJBPSSSA-N 429.542 4.017 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCN(Cc2ccsc2)CC1 535254397 FRYAFVKLGXVNQJ-UHFFFAOYSA-N 445.488 4.112 5 20 IIBD CC[C@@H]1CN(C(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C[C@@H]1O 535630290 IYVFLBSPINFTJF-DTRVWANBSA-N 437.521 4.365 5 20 IIBD CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 536506200 WIEYWHFGPMWXNK-LJQANCHMSA-N 428.439 4.263 5 20 IIBD CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 537345589 NXUWHBJRRGZOKC-UHFFFAOYSA-N 438.311 4.401 5 20 IIBD O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 537543714 HFDXQAXWXVGXOV-QGZVFWFLSA-N 438.532 4.355 5 20 IIBD COCCOc1c(Cl)cc(NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)cc1Cl 538056762 OKTVVEIJCFUMQQ-UHFFFAOYSA-N 429.256 4.117 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 542986014 NDGOXYSNIQHWHK-SWLSCSKDSA-N 436.394 4.258 5 20 IIBD NC(=O)N[C@@H](Cc1nc(-c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)no1)c1ccccc1 545079712 XREXHFRTFKQBIE-FQEVSTJZSA-N 445.435 4.389 5 20 IIBD COc1ccc(Br)c(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c1 545875376 LWZZCNIAZYIOGM-UHFFFAOYSA-N 425.254 4.099 5 20 IIBD O=[N+]([O-])c1ccccc1Cc1noc(CCCc2nc(-c3ccc(Cl)cc3)no2)n1 546241982 GMJFZBSMAISBBK-UHFFFAOYSA-N 425.832 4.447 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(Cc3ccn(-c4c(F)cccc4F)n3)no2)ccc1OC(F)F 547238828 MKMUKRFCHKTJDF-UHFFFAOYSA-N 449.320 4.301 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1cccc(-n2cccn2)c1 550661212 SDBSYEKLVQACCE-CYBMUJFWSA-N 429.274 4.342 5 20 IIBD CN(C)[C@H](CN[C@H](c1ccc([N+](=O)[O-])cc1)c1nccn1C)c1cccc(C(F)(F)F)c1 552066428 JFVKRFUCJDLZMG-WOJBJXKFSA-N 447.461 4.329 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCN(Cc2ccc(Cl)cc2)CC1 557224197 DYHNLGGONZSLCG-UHFFFAOYSA-N 430.936 4.093 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 557683087 VYJOQCZPYKEDBJ-OAHLLOKOSA-N 437.294 4.366 5 20 IIBD COc1cc(CN2C[C@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F 574866720 ZMKMUXWSPMIULM-IEBWSBKVSA-N 447.482 4.159 5 20 IIBD Cc1ccc(Sc2nsc(NC(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)n2)cc1 577212199 ZBNXZKTYQNPDPM-UHFFFAOYSA-N 427.511 4.496 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1Sc1nc2ccccc2c(=O)n1-c1ccccc1F 577318645 PPDXAQUDGRISFL-UHFFFAOYSA-N 425.445 4.109 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC4(CCOCC4)CC3)n2Cc2ccccc2)c1 589640492 DMARUKBYHUUPDA-UHFFFAOYSA-N 433.512 4.299 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CCC(c4ccc(O)cc4)CC3)cc2)c(C)c1[N+](=O)[O-] 591534466 QHMQLMLMVFQXIE-UHFFFAOYSA-N 434.496 4.182 5 20 IIBD CCCCOc1ccc(-c2nnc(CN3CCN(c4cccc([N+](=O)[O-])c4)CC3)o2)cc1 603681382 AQIVVAADHZBOJP-UHFFFAOYSA-N 437.500 4.146 5 20 IIBD Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NCc1cccc([N+](=O)[O-])c1 604472488 SHKSJAUMFFEESW-UHFFFAOYSA-N 429.274 4.090 5 20 IIBD CCN(CC)[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 608791869 OFDWLNORJLWIFJ-IBGZPJMESA-N 438.450 4.496 5 20 IIBD Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 608819244 QVXVTVMDSKWJJM-QGZVFWFLSA-N 442.947 4.413 5 20 IIBD Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)cc1 608866408 NFDRXBOJYGYDRA-HNNXBMFYSA-N 430.892 4.231 5 20 IIBD O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CC[C@@H](c2ccco2)C1 609528849 CTFJWWDMPITRQY-OAHLLOKOSA-N 437.418 4.439 5 20 IIBD COc1cc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)cc([N+](=O)[O-])c1OC 610195932 BQJPAKZOFNWHFU-UHFFFAOYSA-N 432.436 4.487 5 20 IIBD O=[N+]([O-])c1ncccc1S(=O)(=O)N(Cc1ccccc1OC(F)(F)F)C1CCCC1 610263064 OHKNNIGFUNJOME-UHFFFAOYSA-N 445.419 4.022 5 20 IIBD O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 611195078 AAMVIPZLXDNAON-UHFFFAOYSA-N 432.402 4.053 5 20 IIBD CC(C)N(C)C(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC1 611200532 IZHSSXQGMLQJAG-UHFFFAOYSA-N 433.574 4.349 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N(CCc1ccccc1)Cc1cccnc1 725827209 OGJDGDMKYYAZQE-UHFFFAOYSA-N 431.901 4.077 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)c2n[nH]cc2c1 726526786 QLJFWLFKDODEKK-SFHVURJKSA-N 436.468 4.021 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 727394438 QQBOYCHAYPMMQL-HXUWFJFHSA-N 433.867 4.201 5 20 IIBD Cc1cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)c2cc(Br)ccc2n1 728343789 GHRJMKZXPDVIIS-UHFFFAOYSA-N 429.226 4.254 5 20 IIBD CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)CNc3ccccc3[N+](=O)[O-])ccc21 729412618 FWCCCMFSAPHZML-UHFFFAOYSA-N 426.473 4.333 5 20 IIBD Cc1c(C(=O)Oc2cccc(CNC(=O)OC(C)(C)C)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 730199718 IYNCDHREAQZUKQ-UHFFFAOYSA-N 431.401 4.055 5 20 IIBD COc1ccc([C@H]2NC(=S)N(C)C(C)=C2C(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] 730202156 LIVPNOPZAOUCQZ-GOSISDBHSA-N 446.916 4.031 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 730612020 KTVBZVCKTLWYNB-UONOGXRCSA-N 439.251 4.196 5 20 IIBD O=C1OC(c2c(Cl)cccc2[N+](=O)[O-])=N/C1=C/c1cnn(Cc2ccccc2Cl)c1 730957460 FGDAWLPRIMEUNX-LZYBPNLTSA-N 443.246 4.491 5 20 IIBD C[C@H](OC(=O)c1ccoc1CN1c2ccccc2C[C@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] 732840892 KMHPUYYIKTWYJE-CVEARBPZSA-N 449.463 4.323 5 20 IIBD CCN(CC)CCN(Cc1ccccc1)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 733107335 LUHWCKAJFLAUGK-UHFFFAOYSA-N 434.334 4.342 5 20 IIBD C[C@H](OC(=O)c1cccc(COc2cccc(F)c2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 734050227 BWVZSPCEXACUSG-HNNXBMFYSA-N 438.411 4.497 5 20 IIBD CN(C(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)[C@@H]1CCS(=O)(=O)C1 735875729 GTCVYDYKBRPTAS-LJQANCHMSA-N 433.529 4.192 5 20 IIBD CCCCCCn1nc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)c2ccccc2c1=O 736018698 OJAPYACBLITWEN-UHFFFAOYSA-N 434.496 4.478 5 20 IIBD Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2Br)c(C)c1 740421942 KIASGCQBSROWAJ-CYBMUJFWSA-N 435.274 4.467 5 20 IIBD CC(C)(C)OC(=O)NC1(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCCCC1 742873791 UPCLDNITLXPTQK-UHFFFAOYSA-N 447.532 4.192 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CC(=O)Oc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 743607296 JBYXPLOXBGSNFZ-UHFFFAOYSA-N 436.468 4.255 5 20 IIBD COc1ccc(OCCOC(=O)Cc2csc(-c3ccc(C)cc3)n2)c([N+](=O)[O-])c1 744586874 GSUDZYBYLBJLQY-UHFFFAOYSA-N 428.466 4.200 5 20 IIBD C[C@@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ncc(Cl)cc1Cl 745074706 WGFNNLMHOBSAPB-SNVBAGLBSA-N 426.256 4.145 5 20 IIBD CC(C)n1cc(Br)cc1C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 745464779 XRFAYWWUYAMNIJ-UHFFFAOYSA-N 435.234 4.147 5 20 IIBD Cc1nc(-c2cccc(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2)cs1 745674025 QKQGINYRRKKXSZ-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 746254181 WKRJHILHKGFCMC-AVRDEDQJSA-N 427.476 4.062 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(OCc3ccccn3)c(F)c2)ccc1Cl 747620872 KBMKALXAOCLKGC-UHFFFAOYSA-N 437.836 4.162 5 20 IIBD Cc1c(CC(=O)OCc2nc(-c3cc(Br)cs3)no2)cccc1[N+](=O)[O-] 748474334 LWAFIOXKXFJBLY-UHFFFAOYSA-N 438.259 4.063 5 20 IIBD Cc1cc(Br)ccc1C(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 749357347 AXAWVELOJCCGCM-UHFFFAOYSA-N 434.290 4.134 5 20 IIBD CN(Cc1nc2ccccc2n1C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 749430263 MLBGATKGYJPSLX-UHFFFAOYSA-N 437.681 4.170 5 20 IIBD O=C(CCn1cccc1)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 750941373 VXTBPNSMPDVWDG-HXUWFJFHSA-N 427.844 4.363 5 20 IIBD O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1cc([N+](=O)[O-])ccc1Br 751094702 XXTZPQIDWQYJOL-UHFFFAOYSA-N 438.241 4.319 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1ccc(F)c(C(F)(F)F)c1 754373368 VZXQOSLJMARINC-VIFPVBQESA-N 435.351 4.074 5 20 IIBD COc1ccc(-c2cncc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c2)cc1 758100141 LIPPVBXAJCTSGM-UHFFFAOYSA-N 441.827 4.114 5 20 IIBD Nn1c(SCc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1ccc(OC(F)F)cc1 760150996 UTGBQESTSUHAGW-UHFFFAOYSA-N 427.820 4.114 5 20 IIBD COc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F 762979792 KUFQZAXGLHPKKJ-NSHDSACASA-N 438.839 4.244 5 20 IIBD C[C@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccc(OC(F)F)cc1 762986985 BCTOKIKBSDSBTK-NSHDSACASA-N 440.374 4.183 5 20 IIBD O=C(N[C@@H]1CC[C@@H]2SCCS[C@@H]21)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 763178669 BEIJLIJESNYYQK-YZGWKJHDSA-N 429.567 4.316 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(C)(C)CNC(=O)OC(C)(C)C 764279597 NIPUXWALFPNLNV-UHFFFAOYSA-N 425.551 4.330 5 20 IIBD O=C(Cc1c[nH]c2cc(Br)ccc12)O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 766397858 CPSYEHMWZFFRCT-DLBZAZTESA-N 447.289 4.305 5 20 IIBD O=C(OCc1nc(-c2ccc(F)c(F)c2)no1)c1cc([N+](=O)[O-])ccc1Br 768016409 MCZKFRLKZCWWLV-UHFFFAOYSA-N 440.156 4.043 5 20 IIBD O=C(OCC(=O)[C@@H]1CCCOC1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 769039599 DHRBUHGZGUEPDE-MRXNPFEDSA-N 432.860 4.013 5 20 IIBD C[C@H](OC(=O)c1cc(Cl)cc(Br)c1F)C(=O)Nc1ccccc1[N+](=O)[O-] 769514685 FPRYQDSVOMKEFH-QMMMGPOBSA-N 445.628 4.334 5 20 IIBD C[C@H](C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cn(C)c2ccccc12 772837564 BEUGEHUXYNLOSB-QWHCGFSZSA-N 429.860 4.414 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2sc(-c3ccccc3C)nc2C)c([N+](=O)[O-])c1 775116045 SSJURUGKDGLACH-UHFFFAOYSA-N 441.465 4.139 5 20 IIBD O=C(COc1ccc(Br)cc1)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776135811 SAAOFLNAWKPZKR-FQEVSTJZSA-N 443.253 4.464 5 20 IIBD O=C(O[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1csc([N+](=O)[O-])c1 776375381 DUMGQYHHEWTSBX-CQSZACIVSA-N 428.388 4.023 5 20 IIBD C[C@@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)Cc2ccccc2F)c1 776606410 WSRAFXFWMIXJIG-WAIKUNEKSA-N 437.471 4.299 5 20 IIBD CSc1cccc(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1[N+](=O)[O-] 777074329 WNWPVDIZRMFFPF-JTQLQIEISA-N 430.398 4.193 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1sc(-c2ccc(F)c(F)c2)nc1C 778148158 AKIDGKQURYTPSW-UHFFFAOYSA-N 447.419 4.409 5 20 IIBD CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 778247230 WFXYFPFBIYTRGD-UHFFFAOYSA-N 432.402 4.307 5 20 IIBD CC[C@H](C)[C@@H](C)C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 779728810 WZYDXARMUWBYSY-ADINIEGLSA-N 439.921 4.083 5 20 IIBD O=C(C[C@H]1C=CCC1)Nc1ccccc1NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781650432 LKGJMWWMLOKZES-BTYIYWSLSA-N 434.452 4.021 5 20 IIBD CC(C)(C)OC(=O)NCCN1C(=O)c2ccccc2N[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 781865006 PGFBODFGYCJTKG-GOSISDBHSA-N 446.891 4.339 5 20 IIBD O=C(CCN1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1)Nc1cc([N+](=O)[O-])ccc1F 782530083 AEPGKBBDHLGRAA-MRXNPFEDSA-N 444.511 4.108 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@H](C3(C)OCCO3)C2)c([N+](=O)[O-])c1 784573546 VPRGOJYGSLAZAY-SIKLNZKXSA-N 439.512 4.058 5 20 IIBD CC(C)(C)OC(=O)NCc1cc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)co1 785386482 XWKHWYASEYNNMK-UHFFFAOYSA-N 443.378 4.161 5 20 IIBD C[C@H](NC(=O)COC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1cccs1 787248068 PWMHHPVKRPEFJC-HNNXBMFYSA-N 440.477 4.270 5 20 IIBD O=C(NCCc1ccccc1OC(F)F)c1cc(F)cc([N+](=O)[O-])c1Br 788539757 WEOXPKAFSCLMQD-UHFFFAOYSA-N 433.180 4.070 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(CC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)nc1 791655565 LXWRCYDXAZHREG-UHFFFAOYSA-N 426.473 4.071 5 20 IIBD O=c1cc(COc2cc(Cl)c(Cl)cc2[N+](=O)[O-])nc2ccc(Br)cn12 794494691 NCMLXLGJKRHEJS-UHFFFAOYSA-N 445.056 4.251 5 20 IIBD C[C@@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(Br)cc1F 796690919 AOKFWNGICDQTMR-SECBINFHSA-N 430.661 4.439 5 20 IIBD Cn1cc(CN(Cc2ccc(Cl)cc2)c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)cn1 797438900 NANVTNWPKDGMFN-UHFFFAOYSA-N 425.876 4.073 5 20 IIBD Cc1sc(Br)c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1C 799543847 VFPFUUINTQVUOW-UHFFFAOYSA-N 447.694 4.485 5 20 IIBD O=C(NC[C@@H](NCc1ccccc1)c1ccco1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 804274501 OGCNOHPMMLGIRQ-JOCHJYFZSA-N 448.523 4.439 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc2c1CCCN2C(=O)OC(C)(C)C 805310514 YRRATJZJDORAOW-UHFFFAOYSA-N 441.484 4.221 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 810206526 RBBLYAQPNLXLHW-INIZCTEOSA-N 448.520 4.104 5 20 IIBD Cc1ccc(NC(=O)c2sc3[nH]c(CCC(C)(C)[N+](=O)[O-])nc(=O)c3c2C)c(C)c1 812449084 JYXOMLNOMUUEJD-UHFFFAOYSA-N 428.514 4.150 5 20 IIBD CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](COC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 813154864 KUSKULPHVBFJFB-CYBMUJFWSA-N 440.399 4.390 5 20 IIBD Cc1cc(S(=O)(=O)N[C@H](C)c2ccc(C(F)(F)F)nc2Cl)cc([N+](=O)[O-])c1F 815051762 UHPUHFSTOLNXHM-MRVPVSSYSA-N 441.790 4.149 5 20 IIBD Cc1ccc([C@@H](OC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c2cncn2C)cn1 816317598 VUUKZKJTCNJVLF-HSZRJFAPSA-N 449.511 4.214 5 20 IIBD CCOc1ccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)cc1[N+](=O)[O-] 816846735 IMDJKFAVLYEULZ-MRXNPFEDSA-N 433.505 4.046 5 20 IIBD COc1cc(N(C)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc(OC)c1OC 821564640 MFJQSZQVJYBZLW-UHFFFAOYSA-N 440.250 4.051 5 20 IIBD Cc1cnc(COC(=O)[C@H](C)CC(=O)c2cccc(Br)c2)c(C)c1[N+](=O)[O-] 821627999 WQBPOXACEIEDRJ-LLVKDONJSA-N 435.274 4.321 5 20 IIBD CCCC1=C(C(=O)OC)[C@@H](c2cc([N+](=O)[O-])c(F)cc2F)NC(=O)N1Cc1ccccc1 916723678 OFPSTVJPLVQIDO-HXUWFJFHSA-N 445.422 4.367 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)C(=O)NC(=O)Nc1ccccc1 917257443 OJZPAKFCXGUNSW-OAHLLOKOSA-N 449.419 4.281 5 20 IIBD O=C(COC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])Nc1ccc2ccccc2c1 919196269 VWZSDEUHORRZIP-UHFFFAOYSA-N 448.353 4.485 5 20 IIBD O=C(COC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)NCCc1cccc(Cl)c1Cl 919212402 AOHQMTGOWWVEBG-UHFFFAOYSA-N 437.235 4.164 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)[C@H](C)Oc2ccc(C(C)C)c(C)c2)c([N+](=O)[O-])c1 919409091 VDSPGGLAXYFICT-HOTGVXAUSA-N 444.484 4.373 5 20 IIBD C[C@@H](OC(=O)CCOc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1Cl 919492603 DDFXWNSAUYSZCB-LLVKDONJSA-N 427.240 4.241 5 20 IIBD COc1cc(C(=O)NC2CCN(c3ccc(C(C)(C)C)cc3)CC2)c([N+](=O)[O-])cc1OC 919769025 LHYREILFTSEVQB-UHFFFAOYSA-N 441.528 4.308 5 20 IIBD CC1(C)CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])[C@@H]1c1ccccc1 919928624 RPYOBBDRNPCYKH-MRXNPFEDSA-N 425.304 4.129 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(-c2nnc(Cc3cccc4ccccc34)o2)cc1OC 1117237292 UWLJDKJBLMQPEA-UHFFFAOYSA-N 435.436 4.423 5 20 IIBD COc1ccc(CCc2nnc([C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)o2)cc1 1117242555 CUDCEOSMHXGGDB-FQEVSTJZSA-N 436.468 4.057 5 20 IIBD O=C(NCc1ccc(F)cc1)c1ccc(NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc1 1318751647 HAHDPNBSTSOSOZ-UHFFFAOYSA-N 434.427 4.212 5 20 IIBD CCOc1cc(-c2nnc(-c3cc(F)cc([N+](=O)[O-])c3N)o2)cc(OCC)c1OCC 1326107404 KIVGMIVMCREBSJ-UHFFFAOYSA-N 432.408 4.229 5 20 IIBD CC(C)n1ncc2c1[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)CCC2 1326657557 NSZHQUUJKHXGCK-INIZCTEOSA-N 425.411 4.268 5 20 IIBD O=C(c1cc2ccccc2c2cccnc12)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1338099112 XGGIGHBHNZTAKX-UHFFFAOYSA-N 426.476 4.254 5 20 IIBD COc1cc(CN2CCC(C(=O)c3cccs3)CC2)c([N+](=O)[O-])cc1OC(F)F 1340049261 QVDDVJQYLLNPGO-UHFFFAOYSA-N 426.441 4.361 5 20 IIBD Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(F)cc([N+](=O)[O-])c4)cc3)CCC2)nc1 1790696567 JVKJOIYQGYVWHX-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])c(C(=O)NC2(c3ccc(NC(=O)C45CC(C4)C5)cc3)CCC2)c1 1792035997 RGYYBIABNCMIPN-UHFFFAOYSA-N 448.523 4.209 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3occc3c2)[nH]n1)c1ccc([N+](=O)[O-])[nH]1 1820365107 NOPBKNNXFSQYJE-KRWDZBQOSA-N 448.439 4.012 5 20 IIBD O=C(c1cccc(F)c1[N+](=O)[O-])N1CC2(CCCN2C(=O)c2cccc3ccccc23)C1 1843623849 BRWODJVSKJFLEM-UHFFFAOYSA-N 433.439 4.018 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Br)cc1 10665038 LZZFRJZQBOXBIY-SNVBAGLBSA-N 441.665 4.045 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1csc(-c2ccccn2)n1 10723588 APQSOPSFVPPBEK-UHFFFAOYSA-N 427.485 4.417 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)c1 16196666 NWKVXNQEVJTOMA-JTQLQIEISA-N 426.397 4.102 5 20 IIBD Cc1cccc(N2CCN(C(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)CC2)c1 16280246 IASGPVKHDFHUBJ-UHFFFAOYSA-N 430.508 4.478 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OC 16800351 CCMXKMRWWYUBNX-NSHDSACASA-N 430.438 4.011 5 20 IIBD C[C@@H](OC(=O)COc1ccc2oc3ccccc3c2c1)C(=O)Nc1ccccc1[N+](=O)[O-] 17521047 VENHVUDPPYZATE-CQSZACIVSA-N 434.404 4.443 5 20 IIBD CC(C)[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)OCCCO2 19352753 NEBUPIAQFMHHKS-NRFANRHFSA-N 434.876 4.302 5 20 IIBD C[C@@H](OC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 19426225 NOUMXZRLQLPBFZ-CYBMUJFWSA-N 429.429 4.126 5 20 IIBD O=C(c1ccc(Cl)cc1)c1ccccc1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 29606196 UGHSWIAPQRFAEY-UHFFFAOYSA-N 449.894 4.442 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(Cl)c(C(N)=O)c2)cc1 33009873 XKKFMBWKVMYRNB-UHFFFAOYSA-N 441.827 4.400 5 20 IIBD COC(=O)Cc1csc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1 60626404 NQLXRRHLWGFSMP-UHFFFAOYSA-N 447.856 4.465 5 20 IIBD Cc1c(NC(=O)CCc2nc(-c3cc(Br)cs3)no2)cccc1[N+](=O)[O-] 64697905 XKNXKIPBDYHFMC-UHFFFAOYSA-N 437.275 4.349 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccccc3C)cs2)cc1OC 106224423 NDSKGXJGRJQWKI-UHFFFAOYSA-N 443.481 4.313 5 20 IIBD CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1 107909278 ACMULFMGMAPXTF-UHFFFAOYSA-N 444.241 4.479 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)NCc1ccccc1-c1ccc(Cn2cccn2)cc1 110632775 MNFQTBIMNGZACF-UHFFFAOYSA-N 442.475 4.202 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1Nc1cccc(OCc2cccnc2)c1 301224237 CJTXGUZFKJHOMM-UHFFFAOYSA-N 435.408 4.309 5 20 IIBD C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] 302546734 PDFIRLFXVHSAFJ-APPDUMDISA-N 446.859 4.211 5 20 IIBD COc1ccc(C(=O)Nc2ccc(Cl)cc2I)cc1[N+](=O)[O-] 318145602 VBFKARIMHWCSNW-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD O=[N+]([O-])c1cc(I)ccc1NCc1cnn(Cc2ccccc2)c1 390334231 LGVBYICRLVOQIH-UHFFFAOYSA-N 434.237 4.056 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 428927941 GLSYZBXOZZIBQN-IFXJQAMLSA-N 437.418 4.323 5 20 IIBD O=C(NCCc1ccc(F)c(Br)c1)c1ccc(Br)cc1[N+](=O)[O-] 429824600 WCMRKAIJTRQMEA-UHFFFAOYSA-N 446.070 4.231 5 20 IIBD CC[C@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)c1ccc(C)cc1 430308611 UHDQQXZFLONZOL-HNNXBMFYSA-N 434.290 4.180 5 20 IIBD Cc1cc(OCC(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)ccc1[N+](=O)[O-] 430421804 ZPSPKZOKAXWQHR-UHFFFAOYSA-N 425.485 4.325 5 20 IIBD CCOc1cc(NC(=O)N(C)[C@@H](c2ccccc2)c2ncc[nH]2)c([N+](=O)[O-])cc1OCC 432643783 PTVGYMCBYGNGEV-FQEVSTJZSA-N 439.472 4.369 5 20 IIBD COC(=O)C[C@@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(F)c1 433582025 SNUNZRDMFREEMB-APPDUMDISA-N 440.880 4.289 5 20 IIBD COc1ccc([C@@H](CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)N2CCCC2)cc1 435817366 ILHFVFAOTIAMHR-RUZDIDTESA-N 441.531 4.257 5 20 IIBD Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436074278 XDUBSJRTALCVOA-UHFFFAOYSA-N 447.441 4.412 5 20 IIBD COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 437886549 CVAIMSPVGUPVLI-MRXNPFEDSA-N 442.516 4.410 5 20 IIBD Cc1ccnc(-c2ccc(NC(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)cc2)n1 438158345 WCROJEGOUBBMIH-UHFFFAOYSA-N 433.468 4.436 5 20 IIBD COc1cc(C(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OC(F)F 438461311 NTWYZHFIXJDRDC-VHSXEESVSA-N 426.338 4.303 5 20 IIBD CC(C)c1ccc(C(=O)N(C)C[C@@H](O)COc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] 439508162 CCDOMDILXICMBX-MRXNPFEDSA-N 440.418 4.249 5 20 IIBD CC(C)[C@H](NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 439655542 OUDKDTQPZUNBLH-ACJLOTCBSA-N 437.418 4.245 5 20 IIBD Cc1ccc(CN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])c2ccc3nc(O)[nH]c3c2)cc1 440735713 OURCLFIAFQDEER-UHFFFAOYSA-N 445.479 4.439 5 20 IIBD COCc1nc(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)c(-c2ccccc2)s1 440902823 IJEAUWKFGVMVIO-UHFFFAOYSA-N 441.465 4.212 5 20 IIBD CN(C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] 441060736 VOLIHQWOJWPDMH-POAQFYNOSA-N 441.553 4.070 5 20 IIBD COc1ccc(OCCN2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c([N+](=O)[O-])c1 441085402 CGGVBVZPKAMCIS-LBPRGKRZSA-N 431.436 4.337 5 20 IIBD COCCO[C@H]1CCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 444315063 JYQCZEOANKMJIO-HNNXBMFYSA-N 436.917 4.277 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1nnc3c(Cl)cc(C(F)(F)F)cn13)CCC2 447544597 UZMZOHCFRZJRJO-OAHLLOKOSA-N 425.798 4.477 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(C(=O)NCc2ccccc2)cc1 467151277 WFILOPLZKFYLEW-UHFFFAOYSA-N 438.871 4.500 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1nc(C)c(Cc2ccc(C)cc2)s1 468027814 YGGMHVALMJHXKW-INIZCTEOSA-N 442.545 4.130 5 20 IIBD O=C(Nc1cc2c(cc1Br)CCC2)c1ccn(-c2ccccc2[N+](=O)[O-])n1 468149130 LSOVVWIBOLNJNA-UHFFFAOYSA-N 427.258 4.284 5 20 IIBD Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 468156989 HHWYIWFQFWUFCY-OAHLLOKOSA-N 444.919 4.304 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(Br)s2)cc1OC 468169757 MOKHASDUDLHMMA-SECBINFHSA-N 429.292 4.317 5 20 IIBD C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCc1ccc(S(=O)(=O)N2CCCCC2)s1 468629223 HVSOSPSMIDTRDM-VKAVYKQESA-N 449.598 4.067 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1 469218889 NFGADNJKGPUZLQ-SFHVURJKSA-N 446.916 4.473 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)NC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1F 472538562 IKEFYYWAVGDJFG-NEPJUHHUSA-N 448.838 4.390 5 20 IIBD COc1cccc(C=C2CCN([C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)CC2)c1 473009643 NSPOLPYAKDTNRD-MRXNPFEDSA-N 425.485 4.118 5 20 IIBD COc1c(CNC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)oc2ccccc12 474932305 JRHJRFYFCDBTPC-UHFFFAOYSA-N 434.452 4.141 5 20 IIBD Cn1c(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)nc2cccc(Cl)c21 475684963 MERNUJKAJIPSQU-UHFFFAOYSA-N 427.873 4.188 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCc3ccn4ccnc4c3)cc2[N+](=O)[O-])n1 475720942 ZHMPFRLHSWVHOC-UHFFFAOYSA-N 425.495 4.089 5 20 IIBD Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)NCCNc1ccccc1[N+](=O)[O-] 477825447 CIFPXEKWQFGTAO-UHFFFAOYSA-N 434.374 4.419 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)N(CCc2ccccc2)Cc2ccncc2)c1[N+](=O)[O-] 481024700 OEFWEGHXMLOBEC-UHFFFAOYSA-N 425.510 4.040 5 20 IIBD CCNC(=O)COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)cc1 481681328 BSYISRGAERDBCS-UHFFFAOYSA-N 431.514 4.110 5 20 IIBD COc1ccc(Oc2ccc(NC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)cn2)cc1 482107363 SMNQJTGBAUPCKD-UHFFFAOYSA-N 431.408 4.229 5 20 IIBD CN(Cc1ccc(F)cc1Br)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 482770894 MCXVNUDOPNKRER-UHFFFAOYSA-N 447.264 4.169 5 20 IIBD CCc1ccc(-c2noc([C@@H](C)NCc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)n2)cc1 483664333 BYTATRHAELWWCD-OAHLLOKOSA-N 432.484 4.459 5 20 IIBD COC(=O)c1cc(NC(=O)NC[C@@H](C)CSc2ccccc2OC)c(C)c([N+](=O)[O-])c1 486872377 JAOSRBCOAGSXHG-CYBMUJFWSA-N 447.513 4.248 5 20 IIBD CCc1nc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])sc1C(=O)OC 486926708 JQUYLOJBAOQGDV-UHFFFAOYSA-N 449.432 4.150 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(S(C)(=O)=O)cc1 489506834 BNEDHWCHFOETBY-UHFFFAOYSA-N 436.555 4.019 5 20 IIBD Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 490641300 WRIFHLITSHZFOK-OAQYLSRUSA-N 425.533 4.295 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1[N+](=O)[O-] 493963471 YTVCHKHROGNJLH-JTQLQIEISA-N 429.782 4.391 5 20 IIBD COc1ccc(C(=O)NCC(=O)N2CCCC[C@@H]2c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] 497894202 ZNUZOMFESRQALH-HXUWFJFHSA-N 439.512 4.210 5 20 IIBD COc1cccc(CN(C[C@@H]2CCCO2)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 498477666 ZTHGMUCVTMKZKY-FQEVSTJZSA-N 447.919 4.190 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(C(=O)N2CCc3ccccc32)cc1 498687188 ZYPVUICMSGDYHT-UHFFFAOYSA-N 430.464 4.157 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NC[C@@H](CO)CC2CCCC2)cc1[N+](=O)[O-])c1ccccn1 500503735 PIYDPJOKHWCTSF-AEFFLSMTSA-N 426.517 4.082 5 20 IIBD Cc1nn(CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c2ccc([N+](=O)[O-])cc12 502872867 ROAIWFNQUWMIQN-UHFFFAOYSA-N 435.465 4.205 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@H](CCCc1ccccc1)c1ccccc1 502926129 QCHPUZNOOTZFTN-OAQYLSRUSA-N 445.475 4.383 5 20 IIBD CC1CCN(c2nnc(SCc3c(F)cccc3[N+](=O)[O-])n2C[C@@H]2CCCO2)CC1 504513989 QGNJTAMWAVCSPL-HNNXBMFYSA-N 435.525 4.033 5 20 IIBD Cc1cnn(-c2ccncc2NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 504705476 BKURYYGXWFTVOU-INIZCTEOSA-N 443.467 4.304 5 20 IIBD COCCN(C)CC[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccccc1 505092442 IWVUVVIEEMLHES-IBGZPJMESA-N 427.526 4.249 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)cc1OC 505706013 MHQSJGKRUZPNOB-UHFFFAOYSA-N 443.456 4.320 5 20 IIBD CN(c1ccccc1)c1ccc(CNCc2ccccc2N2CCOCC2)cc1[N+](=O)[O-] 507938540 GFXYRSKQTLOPIM-UHFFFAOYSA-N 432.524 4.489 5 20 IIBD Cc1ccsc1CN(C)C(=O)c1cc([N+](=O)[O-])cc(I)c1C 509061825 YWTYQJPKQBUILZ-UHFFFAOYSA-N 430.267 4.150 5 20 IIBD Cc1c(Br)cc(C(=O)N(Cc2ccncc2)Cc2cccnc2)cc1[N+](=O)[O-] 509663642 KRAHBFPRAMSNPK-UHFFFAOYSA-N 441.285 4.298 5 20 IIBD C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 513567469 MOTCBEZMDQUZLZ-HNNXBMFYSA-N 444.534 4.463 5 20 IIBD Cc1ccc2c(c1)CN(C(=O)c1ccc(Sc3nncn3C)c([N+](=O)[O-])c1)C(C)(C)C2 513674700 JTBOWZBCQFMKMN-UHFFFAOYSA-N 437.525 4.160 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1N1CCCCC1)c1cccc([N+](=O)[O-])c1 518136125 SIKQYOBNVNSKJP-CQSZACIVSA-N 430.892 4.054 5 20 IIBD COc1cc(OCC(=O)Nc2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)ccc1[N+](=O)[O-] 518500997 LMKINPAJLMIALP-UHFFFAOYSA-N 436.399 4.303 5 20 IIBD CC(C)(C)c1ccc(Oc2ccc(CNCc3ccc(C(N)=O)nc3)cc2[N+](=O)[O-])cc1 531486357 CYBOQKPWXLNYSH-UHFFFAOYSA-N 434.496 4.468 5 20 IIBD CN1CCC(N(C)[C@H]2CCCC[C@@H]2N(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 535849372 YRSCAIGHTBJHQT-PMACEKPBSA-N 444.601 4.219 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)[C@H]1CCC(=O)[C@@H](C)C1 537092545 ADTGWZXVWAYKJO-JSGCOSHPSA-N 430.482 4.444 5 20 IIBD COc1cc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(-c2ccccc2)cc1OC 537633262 AHKWKYOGVUJUMA-IBGZPJMESA-N 434.496 4.360 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 538501087 PSKZGFUQRUMVCT-UHFFFAOYSA-N 441.509 4.388 5 20 IIBD COc1ccc(CSCC(=O)Nc2cc(C)nn2[C@H]2C[C@H]3CC[C@H]2C3)cc1[N+](=O)[O-] 540447546 DFKFVSAYUWIICZ-XIRDDKMYSA-N 430.530 4.341 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@@H](NC(=O)c1ccc(C)cc1)c1ccccc1 541332703 UKBWBNVLXXWHBS-JOCHJYFZSA-N 447.491 4.089 5 20 IIBD CC(=O)c1cc(Br)ccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 541417298 PUAZDQKDOLDCDD-UHFFFAOYSA-N 432.274 4.412 5 20 IIBD O=C(NCc1nncn1-c1ccccc1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 541678863 BXFZHNYTEKXGDM-UHFFFAOYSA-N 437.525 4.388 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 543581400 KVORWHMRQSVZTN-OAHLLOKOSA-N 447.532 4.442 5 20 IIBD Cc1c(C(=O)N2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)oc2c(C)cccc12 543700351 BVJKPHDDNWIIGM-UHFFFAOYSA-N 433.468 4.187 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cn(C)cc(Br)c1=O 543784371 LCNLJCZXCLGXHH-UHFFFAOYSA-N 440.319 4.056 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)N1CCC(CCCO)CC1 543914921 YQYRMBMKYSNSMT-OAQYLSRUSA-N 431.920 4.413 5 20 IIBD Cc1cc(NC(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)ccc1-c1ccncc1 551079114 YDWYAASVKGKMOO-UHFFFAOYSA-N 430.464 4.095 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)Nc2cc(C3CCCCCC3)[nH]n2)cc1[N+](=O)[O-] 551428064 PHJISXQYPJGSPS-UHFFFAOYSA-N 427.505 4.630 5 20 IIBD Cc1ccc(C(C)(C)CN(C)C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1 551766883 DOBHFMJONRUTOE-UHFFFAOYSA-N 448.317 4.040 5 20 IIBD CS(=O)(=O)c1cc(CN[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc(C(F)(F)F)c1 551779446 XTXCWGSPIRNISS-GOSISDBHSA-N 442.459 4.128 5 20 IIBD CC(=O)N(c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@@H]1C[C@@H]1C 554660769 OLNOMQNTDJDCIR-ZJNRKIDTSA-N 431.876 4.416 5 20 IIBD CC(C)(C(=O)NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)c1ccc([N+](=O)[O-])cc1 555109173 HJGCIVBEXVADIF-UHFFFAOYSA-N 448.401 4.344 5 20 IIBD C[C@H](C(=O)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 564536834 WKEFLKKWEIWGKT-UGSOOPFHSA-N 444.837 4.346 5 20 IIBD CC(C)(c1noc(-c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)n1)c1ccccc1Cl 569505646 AGHIELYZKQRRRU-UHFFFAOYSA-N 440.843 4.278 5 20 IIBD Cc1csc(Oc2ccc(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)cc2F)n1 572078593 ORWOYJDCIBLGDE-UHFFFAOYSA-N 440.416 4.124 5 20 IIBD O=C(CCC(F)(F)F)N1CCC[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 579767574 LIFLYAZQNYIWTK-CQSZACIVSA-N 425.407 4.278 5 20 IIBD CCc1cccc2c(CCNC(=O)C(=O)Nc3ccc(C(C)(C)C)c([N+](=O)[O-])c3)c[nH]c12 585758321 WJPRVXGGNNNCSS-UHFFFAOYSA-N 436.512 4.233 5 20 IIBD CC[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C[C@@H](C)[S@]1=O 589186659 MRDYPOYPDZWQMY-AXEQMXGESA-N 441.347 4.349 5 20 IIBD C[C@@H](Nc1ncnc2ccc([N+](=O)[O-])cc12)c1ccc(Br)cc1OCCCO 589697052 KJBXWSGWSIZMPW-GFCCVEGCSA-N 447.289 4.235 5 20 IIBD CCOc1ccc(CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1OC 603880687 VQAPIDMJSYAWPF-UHFFFAOYSA-N 427.501 4.168 5 20 IIBD Cc1sc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)nc1-c1cccc([N+](=O)[O-])c1 603998680 BUOZNRFPRSAXRA-UHFFFAOYSA-N 445.522 4.461 5 20 IIBD CC(C)(C)c1ccc(C(=O)NCc2cccc(NC(=O)c3ccccn3)c2)cc1[N+](=O)[O-] 604006638 BUTNAOLYVDHMCH-UHFFFAOYSA-N 432.480 4.470 5 20 IIBD Cc1cc(-c2noc(CCC(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)n2)ccc1F 604112581 JSSSZSQDXXLKSZ-UHFFFAOYSA-N 436.346 4.265 5 20 IIBD COc1nc(C)cc(C)c1CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 608972180 VOSJHUOEDDKKCE-INIZCTEOSA-N 435.484 4.113 5 20 IIBD CCOCCOc1ccc(Cl)cc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 609103564 KKZXSGQPFQIYPF-UHFFFAOYSA-N 430.848 4.102 5 20 IIBD CC(C)Sc1ccc(Cl)cc1NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 609183310 PAJOXRWEWMCTNT-UHFFFAOYSA-N 436.921 4.187 5 20 IIBD O=C(CCN1CCc2[nH]c3ccc(Br)cc3c2C1)Nc1ccc([N+](=O)[O-])cc1 609197400 SUGDDQGLUFWRDU-UHFFFAOYSA-N 443.301 4.226 5 20 IIBD COC(=O)[C@H](NC(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1)c1ccccn1 610299892 VIMJNODXZVBHOA-HXUWFJFHSA-N 437.477 4.094 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 610500453 MALHFTZZMHKIMV-QWRGUYRKSA-N 448.385 4.399 5 20 IIBD COc1ccc(CN[C@]2(CO)CCc3ccccc32)cc1OCc1ccc([N+](=O)[O-])cc1 610916045 AEWHZEBIIARFCB-VWLOTQADSA-N 434.492 4.106 5 20 IIBD CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)OC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] 725938436 YUTBFBHYGVTMLW-SNVBAGLBSA-N 432.335 4.006 5 20 IIBD C[C@@H](OC(=O)Cc1cccc(Br)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 725983768 JDDLTBRHCSCMQB-SNVBAGLBSA-N 441.665 4.124 5 20 IIBD COc1ccc(CN2C[C@@H](C(=O)OCc3nc4ccccc4c4ccccc34)CC2=O)cc1 726681055 JOLHARYMZCOFBR-IBGZPJMESA-N 440.499 4.489 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)O[C@H](C)c2cnc3ccccc3c2)ccc1[N+](=O)[O-] 726736337 WJGVXKCILWJOFZ-OPAMFIHVSA-N 433.464 4.360 5 20 IIBD Cc1ccsc1C(=O)Nc1ccc(OS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 729485678 PRJHGUOCOGUAHX-UHFFFAOYSA-N 436.442 4.124 5 20 IIBD CN1CC[C@H](NCc2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c2)C1 729682130 NLIPCKHLTWKOJC-ZDUSSCGKSA-N 445.526 4.058 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Oc2cccc(CNC(=O)OC(C)(C)C)c2)cc1C 730270390 VJPQHHVYQYHPMU-UHFFFAOYSA-N 436.486 4.004 5 20 IIBD COc1cc(C(=O)N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)ccc1[N+](=O)[O-] 731024280 UBZOAWLWAKETLL-UHFFFAOYSA-N 441.484 4.221 5 20 IIBD CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2cnc(C(C)(C)C)s2)NC(=S)N1C 731426020 WBRRFLAFTNNFBT-INIZCTEOSA-N 445.570 4.123 5 20 IIBD O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1)c1cc(F)cc([N+](=O)[O-])c1 731459378 DWZSCBAJQGLTMD-UHFFFAOYSA-N 439.786 4.440 5 20 IIBD CN(CCc1ccc(Br)cc1)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] 732042676 LCWLSSSKPLZHRW-UHFFFAOYSA-N 449.273 4.033 5 20 IIBD Cc1cccc(C)c1OCCCOC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 733004781 RMHKHXGVPJORSH-UHFFFAOYSA-N 442.497 4.117 5 20 IIBD Cc1ccc(OCc2cccc(C(=O)OCc3nc(-c4ccc([N+](=O)[O-])cc4)no3)c2)cn1 734054762 FVOQWUOLTMIAFQ-UHFFFAOYSA-N 446.419 4.284 5 20 IIBD Cc1ccc(C(=O)N(C)c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)cc1 734490940 UNYIFCIVBJYJBB-UHFFFAOYSA-N 440.477 4.256 5 20 IIBD CCc1ccc(OC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)c([N+](=O)[O-])c1 734739071 DGGWIYBVQJYZSW-XMHGGMMESA-N 431.408 4.007 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[C@H]1C[C@H]1c1c(F)cccc1F 734771041 OCXMOKUSNAFERR-CVEARBPZSA-N 442.422 4.464 5 20 IIBD Cn1c(S)nc2cc(C(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)ccc2c1=O 735272355 ACMYPFSDKURNAB-UHFFFAOYSA-N 448.460 4.175 5 20 IIBD COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 737954692 GJAWIHFZCWRWLN-QGZVFWFLSA-N 434.876 4.352 5 20 IIBD Cc1sc(NC(=O)COC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c(C)c1C 744870718 ZEIZMJWFPCRIPW-LLVKDONJSA-N 426.878 4.184 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1 745388801 VVFBPZNGADSEAC-LLVKDONJSA-N 447.419 4.489 5 20 IIBD CCOc1cc(NC(=O)Nc2ccc(C)c(N3CCOC3=O)c2)c([N+](=O)[O-])cc1OCC 746719612 OKRQPYSPRKWMNP-UHFFFAOYSA-N 444.444 4.301 5 20 IIBD CC(C)c1ccc(OC2CCN(Cn3nc(-c4cccc([N+](=O)[O-])c4)ccc3=O)CC2)cc1 747076318 RUSUAUHNAGOPMD-UHFFFAOYSA-N 448.523 4.443 5 20 IIBD Cc1c(C(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] 751197941 OTBFHRFBOQOCNM-UHFFFAOYSA-N 434.836 4.198 5 20 IIBD O=C(N[C@H](C[C@H]1CCOC1)c1ccccc1)c1cc(F)cc([N+](=O)[O-])c1Br 753758585 ACDPEVOJUHNGMN-MLGOLLRUSA-N 437.265 4.394 5 20 IIBD O=C(NCc1ccc(OCC(F)(F)F)nc1)Nc1ccc(Br)c([N+](=O)[O-])c1 755035182 FLWREUQMTBMYTB-UHFFFAOYSA-N 449.183 4.015 5 20 IIBD O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1ccc(Br)c([N+](=O)[O-])c1 755369323 FNLNOTQOYYHMKH-UHFFFAOYSA-N 440.681 4.159 5 20 IIBD COCCOc1cc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)nc2ccccc12 758166797 RIFPNVHDKMIEBT-UHFFFAOYSA-N 429.860 4.094 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N(Cc1ccccc1)C[C@H](O)c1ccsc1 759350214 XJMSGIAGAZESGP-QFIPXVFZSA-N 435.505 4.443 5 20 IIBD Cc1ccc(NC(=O)c2ccccc2)cc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1F 760342789 JZDNXTICRNJZKM-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD CC(C)C[C@H](NC(=O)OCc1ccccc1)c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 761250151 QPPGWXYSLWMVOE-KRWDZBQOSA-N 425.445 4.241 5 20 IIBD COc1ccc([C@H]2CCCCCN2C(=O)COC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 763407289 ZBIRLKRMSXDQEZ-VGOFRKELSA-N 440.496 4.394 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CCC(OC[C@H]2CCCO2)CC1 764283305 PSWVJGQNOPVEMP-GOSISDBHSA-N 434.558 4.430 5 20 IIBD O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC(O)(c2ccccc2C(F)(F)F)CC1 765635709 QYGTWWJCAXSTBR-UHFFFAOYSA-N 428.794 4.391 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)[C@H](C)c2ccc(Br)cc2)cccc1[N+](=O)[O-] 766996735 MUQCCVMBCVEACM-DGCLKSJQSA-N 435.274 4.340 5 20 IIBD CSc1ccc2cc(Cn3cc(Br)cc([N+](=O)[O-])c3=O)c(Cl)nc2c1 767209235 MEPOAVRBTGZUAG-UHFFFAOYSA-N 440.706 4.491 5 20 IIBD Cc1cccc(-c2cncc(C(=O)OCC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])c2)c1 768676632 SZNKSCNIEPIDLG-UHFFFAOYSA-N 425.828 4.414 5 20 IIBD CCc1nn(C)cc1C(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 771162632 VSXUVIUWSRIPAH-IBGZPJMESA-N 442.859 4.081 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3CC(=O)N(c4c(C)cc(C)cc4C)C3)n2)c1 771389287 GKETXTVRXLSARF-QGZVFWFLSA-N 436.468 4.023 5 20 IIBD COc1ccc(C(C)(C)c2noc([C@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)n2)cc1OC 771666817 SDPCLCUWRXOHMB-LJQANCHMSA-N 438.440 4.187 5 20 IIBD CS(=O)(=O)c1ccc(CNc2nc3ccc([N+](=O)[O-])cc3s2)cc1C(F)(F)F 774714976 TZSRFXAPNIIKPG-UHFFFAOYSA-N 431.417 4.239 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])c1 775546147 AYLRZKDXBWSIQE-VXGBXAGGSA-N 427.379 4.180 5 20 IIBD O=C(CC[C@@H]1Cc2ccccc2NC1=O)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776134335 AWHJOQURNDPGCT-UZUQRXQVSA-N 431.448 4.214 5 20 IIBD O=[N+]([O-])c1ccc([C@@H](O)CSc2nnc(-c3ccccc3F)n2Cc2ccco2)cc1 776276753 KDTTZDVCYIURIU-IBGZPJMESA-N 440.456 4.459 5 20 IIBD CC(C)([C@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1)[N+](=O)[O-] 777361987 AFKKUVJRNVDCOZ-QGZVFWFLSA-N 437.246 4.240 5 20 IIBD Cc1ccsc1C(=O)Nc1ccc(OC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)cc1 778262735 HLCQKICFXUEJOM-UHFFFAOYSA-N 440.462 4.441 5 20 IIBD CC(C)Oc1ccc(COC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1Cl 778314726 JBOJTOKAUVNZRO-UHFFFAOYSA-N 441.267 4.162 5 20 IIBD CSc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1 778891036 OCQIPLWFEMUJIT-SNVBAGLBSA-N 426.397 4.102 5 20 IIBD COc1ccc(C[C@@H](C)C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC 781313641 CNAVJKISXDFNDM-KGLIPLIRSA-N 441.440 4.145 5 20 IIBD CC(C)Oc1cccc([C@H](C)OC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c1 781669022 KSCIHAUKQNJWNH-HNNXBMFYSA-N 428.441 4.375 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])O[C@@H](Cc1ccc(F)cc1)C(F)(F)F 781754782 WTGGPJBGRSYFCO-INIZCTEOSA-N 430.310 4.292 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N(Cc1cc(F)ccc1F)C1CCCC1 785187331 YFFQMVXAEPKZHL-UHFFFAOYSA-N 437.830 4.436 5 20 IIBD COC(=O)[C@@H]1CCC[C@H](OC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 785947613 XYHYWFHJJSMXFH-INMHGKMJSA-N 427.457 4.052 5 20 IIBD Cc1c(Br)cc(C(=O)O[C@H]([C@H]2CCCOC2)C(F)(F)F)cc1[N+](=O)[O-] 789661604 YNSPRTSJLDFKTB-TVQRCGJNSA-N 426.185 4.180 5 20 IIBD COc1ccc(NC(=O)[C@@H](OC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C(C)C)cc1 791213062 VKYDSPPBYUZIGR-NRFANRHFSA-N 441.484 4.024 5 20 IIBD COCc1ncc(C(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)s1 794848140 ZTSUUHKJBFUWMN-UHFFFAOYSA-N 447.856 4.323 5 20 IIBD Cc1ccccc1[C@@H]1CCN(CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 795422431 LTDJANMUJNPHNY-CQSZACIVSA-N 430.302 4.069 5 20 IIBD COc1c(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cccc1[N+](=O)[O-] 796313647 ZXFNKDPKNZRFBZ-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(OCC(F)(F)F)c(F)c1 800127258 PXNAYUQYWGLPGA-UHFFFAOYSA-N 431.298 4.155 5 20 IIBD CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](c2ccncc2)C1 800332604 YLJTVYGQOWRJSV-GOSISDBHSA-N 446.891 4.077 5 20 IIBD CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](c2ccncc2)C1 800663693 VVANGIPUXMFHED-GOSISDBHSA-N 446.891 4.077 5 20 IIBD O=C(OCc1ncnn1CC(F)F)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 801308396 JWABKCWTUAEQFZ-UHFFFAOYSA-N 426.445 4.091 5 20 IIBD CN(CC(=O)Nc1ccc(OC(F)F)cc1F)c1cc(Br)ccc1[N+](=O)[O-] 803244841 LYXYXQIHSFPNCM-UHFFFAOYSA-N 448.195 4.173 5 20 IIBD COc1ccccc1[C@H]1CC[C@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 808869494 NGECFMUBVOXDBV-HTAPYJJXSA-N 439.512 4.053 5 20 IIBD O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ncccc1OCC(F)(F)F 811216787 MSJOEZMEVDFQIV-UHFFFAOYSA-N 439.371 4.411 5 20 IIBD C[C@@H](OC(=O)[C@H]1CCN(c2ccccc2Cl)C1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 811417270 RRHVGHIWFGDBFA-HIFRSBDPSA-N 442.859 4.429 5 20 IIBD CN1C(=O)CC[C@@H](c2nc(CCC(C)(C)[N+](=O)[O-])no2)[C@@H]1c1ccc(C(F)(F)F)cc1 812811555 CBPOYOFGFBBLOR-PBHICJAKSA-N 440.422 4.153 5 20 IIBD CCCS(=O)(=O)Nc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 813015335 FJKCTSSRCUPNIF-UHFFFAOYSA-N 432.285 4.306 5 20 IIBD C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 813879862 YNTIPVXPFZVVGX-SJLPKXTDSA-N 446.548 4.224 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 814339593 MDBWTUCMALXCPF-MRXNPFEDSA-N 449.573 4.325 5 20 IIBD C[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)nc1Cl 816763321 SBXZYEIACMZXPE-SNVBAGLBSA-N 439.781 4.339 5 20 IIBD COc1cc(-c2nc(-c3ccc(Br)o3)no2)c([N+](=O)[O-])cc1OC(F)F 904629832 XOVMDYPNWKJWDM-UHFFFAOYSA-N 432.133 4.277 5 20 IIBD CCOc1c(Br)cc(/C=C2/N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1OC 912754124 QNXZYCZWVFKXHT-OVCLIPMQSA-N 447.241 4.109 5 20 IIBD C[C@@H](c1ccccc1Cl)N(C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)C1CC1 914479480 AVRIPPCIILWEBY-KBPBESRZSA-N 445.878 4.492 5 20 IIBD CC1=C(C(=O)N(C)C)[C@@H](c2ccc(C)c([N+](=O)[O-])c2)NC(=S)N1c1cc(C)cc(C)c1 916169233 SKBFZKCKRSGIAU-OAQYLSRUSA-N 438.553 4.318 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](Cn1cncn1)c1ccc(Cl)cc1 917401823 MBVBHLGBVYJWPU-FZKQIMNGSA-N 432.889 4.305 5 20 IIBD O=C1C[C@H](C(=O)N2CCCCC[C@@H]2c2ccccc2)CN1c1ccc(F)c([N+](=O)[O-])c1 917714543 OEHRGFJIGXCDOJ-FXAWDEMLSA-N 425.460 4.231 5 20 IIBD CC[C@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1OCC(=O)N1CCCC1 917742919 KINGKWYUOBGRBN-SFHVURJKSA-N 445.903 4.131 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)c1cnn(-c2ccccc2)c1)c1cccc([N+](=O)[O-])c1 918638938 XJINLVSYIOIAIC-FQEVSTJZSA-N 448.479 4.022 5 20 IIBD Cc1cccc2nc(C(=O)O[C@H](c3ccc(Br)cc3)C(C)(C)[N+](=O)[O-])cn12 1122721119 QYWCGFPHGZLPLQ-QGZVFWFLSA-N 432.274 4.359 5 20 IIBD COc1ccc(CNC(=O)Nc2ccc(F)c(NC(=O)OC(C)(C)C)c2)cc1[N+](=O)[O-] 1318580324 QMVVDBGMXYAORQ-UHFFFAOYSA-N 434.424 4.411 5 20 IIBD CC(C)n1ncc2c1[C@H](Nc1cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c1Cl)CCC2 1320255802 ZDCGLIDHBJCTMV-MRXNPFEDSA-N 428.880 4.061 5 20 IIBD CCCCCn1nc(-c2nnc(-c3cc([N+](=O)[O-])ccc3OC)o2)c2ccccc2c1=O 1322209928 ZHUZQDMVXINLOC-UHFFFAOYSA-N 435.440 4.221 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3[nH]cc4c3CCC4)CCC2)cc1)c1ccc([N+](=O)[O-])o1 1785749995 NHESBGIBJHPXBJ-UHFFFAOYSA-N 434.452 4.066 5 20 IIBD O=C(CCCc1cccnc1)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1 1785751471 FOFURZRBYGMHCQ-UHFFFAOYSA-N 448.479 4.353 5 20 IIBD CCCC(=O)NC1(c2ccc(NC(=O)Cn3ccc4ccc([N+](=O)[O-])cc43)cc2)CCC1 1786277703 RFQDQNXQUVKSSC-UHFFFAOYSA-N 434.496 4.484 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3nc[nH]c3[N+](=O)[O-])cc2)CCC1)c1ccccc1Cl 1788612435 SCJMJVBRAMWFQE-UHFFFAOYSA-N 439.859 4.033 5 20 IIBD CCOc1ccccc1C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1 1790187183 CPUIVJQXTRJEMZ-UHFFFAOYSA-N 448.479 4.383 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)[nH]n1)[C@@H]1CC=CCC1 1814792338 BRKQGAHLPLDWFX-KUHUBIRLSA-N 441.463 4.119 5 20 IIBD Cc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cc(Cl)cc([N+](=O)[O-])c3C)C2)cc1F 1845499763 FTKITLXBNRZVLA-UHFFFAOYSA-N 445.878 4.135 5 20 IIBD O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 8619883 MXJRLGJUHGFJRX-UHFFFAOYSA-N 435.465 4.225 5 20 IIBD COCCn1c(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nc2ccccc21 9073821 GPQWSINJORCXGW-LBPRGKRZSA-N 434.905 4.364 5 20 IIBD O=C1c2ccccc2N[C@@H](c2ccc(Br)c([N+](=O)[O-])c2)N1CC(F)(F)F 15250852 GJBLFNFGLJHPNR-CQSZACIVSA-N 430.180 4.486 5 20 IIBD C[C@H]([C@@H](OC(=O)C1CCCC1)c1ccccc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 16006702 FZGNOHHKWHJTNW-IIBYNOLFSA-N 446.525 4.079 5 20 IIBD CCOc1ccc(NC(=O)CN2CCC[C@@H]2c2nc3ccccc3s2)c([N+](=O)[O-])c1 16588889 LUSZMAZEESLDJK-QGZVFWFLSA-N 426.498 4.379 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 19425819 ZTILTCXXGAWACS-UHFFFAOYSA-N 449.847 4.391 5 20 IIBD CN(Cc1ccccc1)C(=O)COC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 20863932 ZLJZHPIBADVYMM-UHFFFAOYSA-N 433.464 4.022 5 20 IIBD COc1ccc(Cl)cc1CC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 21937093 GOTRVZVOZGBZKL-UHFFFAOYSA-N 431.798 4.046 5 20 IIBD Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1C 22013168 UDRRBNPYFWXICB-UHFFFAOYSA-N 432.432 4.238 5 20 IIBD CCCn1c(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)nnc1-c1ccncc1 22177970 VHNPHBKLPKLUKW-CQSZACIVSA-N 426.502 4.086 5 20 IIBD C[C@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)N(C)Cc1cccc(F)c1 22254641 FIOVXOYGOQICDU-HNNXBMFYSA-N 435.524 4.365 5 20 IIBD CCCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(OCC)cc3[N+](=O)[O-])ccc12 25320166 LCRKGWOGKPUASY-UHFFFAOYSA-N 426.425 4.070 5 20 IIBD Cc1ccc(-c2nc(CC(=O)O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)cs2)cc1 26735896 YOICSVUAPQBQMW-HNNXBMFYSA-N 439.493 4.448 5 20 IIBD COCCNS(=O)(=O)c1ccc(CNCc2c3ccccc3cc3ccccc23)cc1 62253811 CGYNBDLXVJCDTM-UHFFFAOYSA-N 434.561 4.208 5 20 IIBD CC(C)Cc1nc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cs1 63571291 JDWGMGNWUHPJPK-UHFFFAOYSA-N 442.463 4.231 5 20 IIBD O=C(NCC1(c2cccc(Cl)c2)CCOCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 65429162 YRWHMZQLUHSGHB-UHFFFAOYSA-N 443.931 4.327 5 20 IIBD CCc1ccc(-c2nc(CN3C(=O)N[C@@](C)(c4ccc([N+](=O)[O-])cc4)C3=O)cs2)cc1 97336003 ZREIRRLVMMRYDR-QFIPXVFZSA-N 436.493 4.248 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@H](C)CC(C)(C)c2ccccc2)ccc1[N+](=O)[O-] 110318764 GSJNDHWVSFBELX-GCJKJVERSA-N 437.540 4.380 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N(C)Cc2cccc3ccccc23)ccc1[N+](=O)[O-] 110325280 PMCVZZQRFGPZTR-QHCPKHFHSA-N 431.492 4.320 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cnc(-c2cccc(O)c2)nc1 110782975 READTNFZGVJQLW-UHFFFAOYSA-N 447.373 4.217 5 20 IIBD CCC[C@H](NCc1ccc(OC)c([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 237032610 YMXACDIAWWQXPY-FQEVSTJZSA-N 426.517 4.101 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CCN(CC(F)(F)F)C3)o2)c(Br)c1 237864364 DMYQTPYTGCDDIH-LLVKDONJSA-N 448.239 4.344 5 20 IIBD COc1ccc([C@@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)c2c[nH]c3ccccc23)cc1 302691526 XMXDFKLMVXCFRD-JOCHJYFZSA-N 445.475 4.412 5 20 IIBD C[C@@H](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)S(=O)(=O)c1ccc(F)cc1 409719530 JZSMWTPWDIBMIL-LBPRGKRZSA-N 449.485 4.048 5 20 IIBD COc1ccc(-c2ccc(CNC(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)cc2)cc1 426051328 STGNPTCZKDCMJX-UHFFFAOYSA-N 435.484 4.014 5 20 IIBD Cc1nn(-c2ccccc2)cc1CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 426194801 PAYHEJNDFLDMEQ-UHFFFAOYSA-N 433.390 4.107 5 20 IIBD O=C(O)[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1csc(-c2cccs2)n1 426739195 AMTIKVFMGPDVQK-INIZCTEOSA-N 428.495 4.047 5 20 IIBD COC(=O)[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(OC(F)F)cc1 428056662 HRGWAVGVSQIKAU-LJQANCHMSA-N 432.379 4.460 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@](CO)(Cc2ccccc2)C1 428557439 CNYQWLJNVFSMHH-OAQYLSRUSA-N 434.945 4.184 5 20 IIBD O=C(Nc1cccnc1)c1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 431164227 UHHDOCVDGIVQBN-UHFFFAOYSA-N 441.241 4.257 5 20 IIBD CCN([C@@H](c1cccnc1)c1ccc(F)c(F)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 431916439 MGWKHYGSVPEZAJ-HXUWFJFHSA-N 433.436 4.068 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCC[C@H]([C@@H](O)C(F)(F)F)C3)c([N+](=O)[O-])c2)cc1 433793133 QPBDDXNMVLNRFP-HNAYVOBHSA-N 437.418 4.295 5 20 IIBD O=C(N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2 434277588 QNARVKNIEWDPKJ-BMUOOADBSA-N 438.450 4.152 5 20 IIBD Cc1cccc(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)c1 435525336 JCSFGWIGYPJPDX-UHFFFAOYSA-N 427.507 4.371 5 20 IIBD CCOc1cc2c(cc1CNC(=O)c1ccc3[nH]c4ccccc4c(=O)c3c1)O[C@@H](C)C2 435827408 PEWTXELTLIJMPM-HNNXBMFYSA-N 428.488 4.333 5 20 IIBD CCn1cnnc1-c1cccc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1 436092394 XFQAHOJVNQYMIJ-UHFFFAOYSA-N 445.429 4.490 5 20 IIBD CC1CCN([C@@H](CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C(C)C)CC1 436114327 ZETCUCLYSFIKHK-QFIPXVFZSA-N 441.522 4.446 5 20 IIBD CCc1ccc([C@@H](NC2CCN(C(=O)c3ccccc3O)CC2)c2ccc([N+](=O)[O-])cc2)o1 436856686 NDEVHEBQDONYMQ-DEOSSOPVSA-N 449.507 4.440 5 20 IIBD COc1cccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1[N+](=O)[O-] 444140921 NELRVPZWKFAOID-AWEZNQCLSA-N 442.859 4.327 5 20 IIBD CS(=O)(=O)c1ccc(Sc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])cc1 447681096 WCXWWDIPXGVKLP-UHFFFAOYSA-N 428.360 4.199 5 20 IIBD CCOc1c(Cl)cc(CNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])cc1OC 447818558 XJDKOTFYWRCNCP-UHFFFAOYSA-N 435.908 4.100 5 20 IIBD O=C(Nc1cc(-c2ccccc2F)on1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 448491366 UBXLBWNDVUEYGR-UHFFFAOYSA-N 435.361 5.006 5 20 IIBD CCc1cc(=NC(=O)[C@@H](C)Sc2ccc(NC(C)=O)cc2)c2cc([N+](=O)[O-])ccc2[nH]1 462629013 GFXGUAKRQQUZIQ-CYBMUJFWSA-N 438.509 4.205 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 462760524 GXFGDSCIWACHIY-QUCCMNQESA-N 433.512 4.355 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C 463958750 QPWSPUMKKCCGKD-UHFFFAOYSA-N 449.305 4.385 5 20 IIBD Cc1nn(CCC(=O)Nc2nc(-c3ccc4c(c3)CCC4)c(C)s2)c(C)c1[N+](=O)[O-] 464087452 LGKOPHLRBRVYLH-UHFFFAOYSA-N 425.514 4.358 5 20 IIBD COc1ccc(CNC(=O)NCc2ccnc(Oc3cccc(C)c3C)c2)cc1[N+](=O)[O-] 465705795 SKADFZPSNJXXLL-UHFFFAOYSA-N 436.468 4.407 5 20 IIBD COC(=O)c1cc(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)ccc1Br 467462138 UPLGWDYGPCNGOR-UHFFFAOYSA-N 442.653 4.119 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])Nc1cccc(C(=O)N2CCc3ccccc32)c1 467981149 DZWZALVGIVFBOD-UHFFFAOYSA-N 430.464 4.162 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccccc1O[C@H]1CCOC1 470779121 LMKLKKATLCKTBJ-AWEZNQCLSA-N 439.390 4.222 5 20 IIBD Cn1ccnc1-c1nnc(NCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)o1 472588736 GCWWLEZFIZXQTQ-UHFFFAOYSA-N 426.820 4.436 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCSC4(CCOCC4)C3)c([N+](=O)[O-])c2)cc1 472678426 MQDQVJJSZCRTQJ-UHFFFAOYSA-N 427.526 4.258 5 20 IIBD CCN(C(=O)c1ccc([N+](=O)[O-])cc1I)c1ccc2[nH]ccc2c1 472985734 SRJUHDULRLYLBI-UHFFFAOYSA-N 435.221 4.347 5 20 IIBD COc1ccc(CN2CCSC3(CCOCC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 473060766 WOKVXTBJGIYSKE-UHFFFAOYSA-N 444.553 4.280 5 20 IIBD CC(C)(C)c1nsc(Oc2ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cc2Cl)n1 474406227 GLTWRZSWPNQNDO-UHFFFAOYSA-N 436.881 4.025 5 20 IIBD Cc1c(CNC(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)cccc1[N+](=O)[O-] 474690725 UVVDEAOWTDWJJP-HNNXBMFYSA-N 431.798 4.108 5 20 IIBD Cc1c(C(=O)N(C)[C@@H](C)[C@@H](C)c2ccc(Cl)cc2)nnn1-c1cccc([N+](=O)[O-])c1 474726407 GZWSGVQKOWZGFR-KGLIPLIRSA-N 427.892 4.402 5 20 IIBD COc1ccccc1C[C@@H]1CCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br 479994809 WYJRBTVCOOPXTD-HNNXBMFYSA-N 448.317 4.012 5 20 IIBD Cc1c(CNC(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] 480057229 BUHIIMCNDRMXBU-UHFFFAOYSA-N 438.450 4.195 5 20 IIBD Cc1nc(-c2ccc(S(=O)(=O)Nc3cc(-c4cccc([N+](=O)[O-])c4)[nH]n3)s2)cs1 481604373 FCMWONBYKSUFQP-UHFFFAOYSA-N 447.523 4.279 5 20 IIBD C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)CCOc1ccccc1[N+](=O)[O-] 481849264 QOLTUSDIUCJJPM-GFCCVEGCSA-N 425.254 4.013 5 20 IIBD CN(C[C@@H]1CCCC[C@@H]1O)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 484461921 CEMANOYACFGEJM-KKSFZXQISA-N 431.920 4.483 5 20 IIBD CSc1ccc(NC(=O)Cn2cc(Nc3ccc4ncccc4c3[N+](=O)[O-])cn2)cc1 485015952 ULFPVZHERXMKID-UHFFFAOYSA-N 434.481 4.444 5 20 IIBD O=[N+]([O-])c1ccn(C2CCN(c3nn4cc(-c5ccc(Cl)cc5)nc4s3)CC2)n1 486019345 OSXDOHDYWXGYOF-UHFFFAOYSA-N 429.893 4.057 5 20 IIBD CCCOc1ccc2c(c1)CCN(C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C)C2 486881093 LZYMFZPFZLRKIM-UHFFFAOYSA-N 427.457 4.069 5 20 IIBD COc1ccc(CNC(=O)C2CCN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)CC2)cc1 487110570 RBGRQNCTIFDLFA-UHFFFAOYSA-N 441.528 4.314 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C(=O)N2CCCC2)c1C 488644312 KXQUFNHJDDGASJ-UHFFFAOYSA-N 443.525 4.130 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3cccc(Cl)c3)n2C)c([N+](=O)[O-])c1 488893722 BNZJXECWOOOATC-NSHDSACASA-N 447.904 4.172 5 20 IIBD CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 489886736 UENCMNPNVOZWDM-QGZVFWFLSA-N 433.455 4.180 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1nc(-c2cccc(F)c2)no1 489925844 AZZFOMYZUIOICU-GFCCVEGCSA-N 446.460 4.013 5 20 IIBD CCOc1cc(Cn2cnc3cc(-c4ccc(OC)cc4)sc3c2=O)ccc1[N+](=O)[O-] 491982176 QYFCXBNGMXCRKI-UHFFFAOYSA-N 437.477 4.489 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(-c3ncc(C(C)C)o3)cc2)cc1[N+](=O)[O-] 493979436 ZSEHUKKAYDXWTG-OAHLLOKOSA-N 436.468 4.498 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@H]1CCOC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 494534742 YLTFREGTVGEERX-AWEZNQCLSA-N 442.859 4.102 5 20 IIBD Cc1cc(-c2csc(NC(=O)C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)n2)c(C)o1 498977235 TYTKAEKHISLUNH-LBPRGKRZSA-N 428.470 4.052 5 20 IIBD Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1[N+](=O)[O-] 499082793 DXXSVUFWCHHYFV-UHFFFAOYSA-N 446.301 4.157 5 20 IIBD CCOc1cc(NC(=O)c2ccc(Br)cc2OC)c([N+](=O)[O-])cc1OCC 499290608 KJMFSMTXWRVQBE-UHFFFAOYSA-N 439.262 4.416 5 20 IIBD CCOc1cc(CNCC(F)(F)F)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 499997174 RWBPVXDBRQEAQC-UHFFFAOYSA-N 442.390 4.091 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(CC)Cc1nc(O)c2ccccc2n1 502561602 RIIVTYGVKZLCOQ-UHFFFAOYSA-N 426.498 4.408 5 20 IIBD CCOCCOCc1cccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 502729734 ZWXWJSDSJNIUEO-UHFFFAOYSA-N 427.501 4.003 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@H](CCO)c1ccc(Cl)cc1 503527887 PHPYZGQIRMIVQJ-MRXNPFEDSA-N 431.798 4.190 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCCc3c[nH]c4ncccc34)cc2[N+](=O)[O-])n1 505893609 PQTZCDVXCMRNNR-UHFFFAOYSA-N 439.522 4.360 5 20 IIBD CCCOc1cc(NC(=O)Nc2ccc3c(c2)CC(=O)N3)c([N+](=O)[O-])cc1OCCC 506723100 DBELLIDLSSAWTP-UHFFFAOYSA-N 428.445 4.311 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)c(C)cc2Cl)cc1OC 507951637 RYSNLVSRBOBUPO-UHFFFAOYSA-N 429.256 4.496 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccc(OCCN(C)C)cc2)cc1[N+](=O)[O-])c1ccccn1 509024809 YXWHNMSGIVPVJD-KRWDZBQOSA-N 449.511 4.356 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCN(Cc2cccc(Cl)c2)CC1 510845914 XOKFHPCNFALABF-UHFFFAOYSA-N 440.834 4.199 5 20 IIBD COc1ccc([C@@H](NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c2ccc(F)cc2)cc1 512014082 IKCQZEXRXGRNJX-FQEVSTJZSA-N 430.457 4.119 5 20 IIBD CC(C)(C)c1noc(CCCC(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)n1 512241639 FKDPBFSREKDVGD-UHFFFAOYSA-N 436.468 4.468 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(I)cc1Cl 512518641 LTEDCEVZDQGBKL-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD CC[C@@H]1C[C@H](CC(=O)N(CCOC)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CCO1 514145080 SZEXETVGIXRWLS-CRAIPNDOSA-N 433.530 4.293 5 20 IIBD COc1cc(Cc2noc(-c3cnc(Cc4ccccc4F)s3)n2)ccc1[N+](=O)[O-] 515330874 IBNOSAZLLJFJOO-UHFFFAOYSA-N 426.429 4.431 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)c(Cl)c1 515730246 DQPDKOSLVJUOJU-UHFFFAOYSA-N 437.930 4.426 5 20 IIBD O=[N+]([O-])c1cccc(-n2ccc(-c3nc(-c4ccc(OCc5cccnc5)cc4)no3)n2)c1 517630521 HWADIXUBBSUQKV-UHFFFAOYSA-N 440.419 4.472 5 20 IIBD CC(C)OCc1ccc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 521280038 LQKQPQNSIIEHQZ-UHFFFAOYSA-N 429.292 4.083 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc([N+](=O)[O-])c1 522170461 QMAGMLAHIJFWQL-UHFFFAOYSA-N 439.449 4.338 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2nc3cc(F)c(F)cc3s2)ccc1[N+](=O)[O-] 522599484 GHABCXAKHUAMDL-MRXNPFEDSA-N 446.435 4.034 5 20 IIBD CCc1ccc(CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)C2CC2)cc1 523944562 ODUPRQPZSGSTFI-HSZRJFAPSA-N 435.524 4.261 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@@H]3CCC[C@H](C)C3)cc2)cc1[N+](=O)[O-] 525522818 BROUBFGZJANBLK-GOEBONIOSA-N 431.514 4.469 5 20 IIBD O=C(Cc1ccc(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1)N1CCOCC1 525694764 COVSZVBZQFHLQE-UHFFFAOYSA-N 437.521 4.337 5 20 IIBD O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1c[nH]c2cccc([N+](=O)[O-])c12 534248971 MTJQPDFIDQMFRC-UHFFFAOYSA-N 426.388 4.129 5 20 IIBD CCOc1ccc(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)c(C)c1 534286206 FBGNCZGAZLRNOU-UHFFFAOYSA-N 426.210 4.159 5 20 IIBD CC[C@H](C)n1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c1C1CC1 534974221 KTGAHLFLDWZLBH-JTQLQIEISA-N 443.323 4.203 5 20 IIBD COc1cc(CCNC(=O)Nc2cc(C)ccc2Br)c([N+](=O)[O-])cc1OC 535610451 WOWQFFWTWOLAOS-UHFFFAOYSA-N 438.278 4.047 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)c2ccsc2)CC1 539682212 LKYSRFMLFXGBQE-UHFFFAOYSA-N 433.555 4.147 5 20 IIBD COc1cc(OCC(=O)N2CCc3cc(Cl)c(Cl)cc3[C@@H]2C)ccc1[N+](=O)[O-] 540134269 LWCXOPOILPDAGX-NSHDSACASA-N 425.268 4.435 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1CC(=O)c1cnn(C)c1 540786658 NNTUNRYORCNABT-INIZCTEOSA-N 430.530 4.098 5 20 IIBD Cc1c(NC(=O)[C@H](C)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)cccc1[N+](=O)[O-] 540863873 HTRNJHDNCDXCST-FUHWJXTLSA-N 440.548 4.276 5 20 IIBD COc1cc([C@H](C)NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc(OC)c1OC 541294066 CUBLHZWBMGOADJ-NSHDSACASA-N 440.905 4.244 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 542528895 FKIVAJDVRZTZGH-GXSJLCMTSA-N 447.845 4.302 5 20 IIBD C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 543130887 XMBYXPVUVRNKFD-WBVHZDCISA-N 433.961 4.367 5 20 IIBD O=C(Cc1cc(Cl)cc2c1OCC2)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 543468873 UNNOTJCGRUZIBX-UHFFFAOYSA-N 428.794 4.317 5 20 IIBD COc1cc(/C=C/c2nc(CCNc3ccccc3[N+](=O)[O-])no2)cc(Cl)c1OC 544532447 IPPIASJJWUYATM-BQYQJAHWSA-N 430.848 4.473 5 20 IIBD C[C@]1(c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)CCCN1C(=O)c1ccccc1 545077081 OWNLLVRVJJJVQV-HSZRJFAPSA-N 431.452 4.201 5 20 IIBD COc1ccc(COCc2noc(Cn3c4ccccc4c(=O)c4ccccc43)n2)cc1 546382073 MVINDZKWXOCHAQ-UHFFFAOYSA-N 427.460 4.311 5 20 IIBD Cc1cc(NCc2ccc(N3CCCS3(=O)=O)c(F)c2)c([N+](=O)[O-])cc1C(F)(F)F 549175171 ANQKYESANGJUTQ-UHFFFAOYSA-N 447.410 4.213 5 20 IIBD COC(=O)CCC1CCN([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC1 562491820 YUXOAFXRXLGMBC-HSZRJFAPSA-N 439.512 4.248 5 20 IIBD O=C([C@@H]1CCC[C@H]2CCCC[C@H]21)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 566753746 AYHQCDMYSLVHKC-BHIYHBOVSA-N 425.533 4.116 5 20 IIBD Cc1ccc(NCCCNC(=O)N(C)Cc2csc(Br)c2)c([N+](=O)[O-])c1 566825934 GVQPTFGUOUDOHO-UHFFFAOYSA-N 441.351 4.371 5 20 IIBD Cc1ccc(Nc2nccc(C(N)=O)c2[N+](=O)[O-])cc1Oc1ncccc1Br 568703545 JXXXTGBOUFROII-UHFFFAOYSA-N 444.245 4.091 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(C(F)(F)F)cc1 569397941 FFQFMXIBCIFFDY-VIFPVBQESA-N 447.316 4.031 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc([C@@H](c3ccc(Cl)cc3Cl)N3CCOCC3)n2)s1 570550638 PXYSJJICTQLDFV-OAHLLOKOSA-N 441.296 4.435 5 20 IIBD CC(C)[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCCO2)CCS1 574535877 YDJHANOQZNANES-RBUKOAKNSA-N 431.562 4.000 5 20 IIBD Cc1ccc(C(=O)N(CCn2ccnc2)Cc2ccccc2Br)cc1[N+](=O)[O-] 578995925 BCRADEBEFNDOLR-UHFFFAOYSA-N 443.301 4.205 5 20 IIBD Cn1ccnc1[C@H](N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1cccc([N+](=O)[O-])c1 581206684 AVDBAAIZDNDVLC-FOIQADDNSA-N 429.883 4.079 5 20 IIBD O=C(COc1ccccc1-c1nc(Cc2ccccc2[N+](=O)[O-])no1)Nc1ccccc1F 583589774 JILPALLFHUEJQJ-UHFFFAOYSA-N 448.410 4.392 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(Cc3nc(-c4cn5ccc(Br)cc5n4)no3)c2c1 583723535 WGOFFJNWTXOPBL-UHFFFAOYSA-N 439.229 4.127 5 20 IIBD CC(=O)c1cc(Br)cc(Cl)c1OC[C@H](O)COc1cccc([N+](=O)[O-])c1 584066933 SUGMKHCYHLRHFY-CYBMUJFWSA-N 444.665 4.032 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccn([C@H](C)c2ccccc2)n1 585701016 NCYIHLQVELUBPK-CYBMUJFWSA-N 429.274 4.724 5 20 IIBD CCOc1cc(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)c([N+](=O)[O-])cc1OCC 593163798 VGTKMXYAZGBLIB-KRWDZBQOSA-N 430.457 4.202 5 20 IIBD CCN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(c1ccccc1)c1ccccc1 603529752 QKUSHGVSWVZTJX-UHFFFAOYSA-N 431.492 4.353 5 20 IIBD CC(C)N(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(Br)cn1 603998909 KAMPHEJGEJKYMT-UHFFFAOYSA-N 447.333 4.410 5 20 IIBD CCC[C@H](NC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccn1 609150335 ZKYVECYXQNZBFQ-HNNXBMFYSA-N 425.411 4.261 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC(C)(C)C(=O)Nc3ccccc3)cc2[N+](=O)[O-])C1 609376352 LLSVJQBOBGBHEI-IAGOWNOFSA-N 438.528 4.224 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1ccc(-c2ccccc2)cn1 609473145 PAWXMTKMBVIIHJ-UHFFFAOYSA-N 434.271 4.220 5 20 IIBD O=C(c1ccc(C(=O)N2CC[C@@H](c3ccco3)C2)c([N+](=O)[O-])c1)N1CC[C@H](c2ccco2)C1 609549525 GCHRUSAFWKRXBJ-ZWKOTPCHSA-N 449.463 4.040 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N2CCC[C@H](c3cc4ccccc4[nH]3)C2)c([N+](=O)[O-])c1 609560455 YNVPXVGCOSHZIO-SFHVURJKSA-N 429.480 4.425 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(-c2nnc3n2CCCCC3)c1 609783524 KARHZXJCAQHIOB-UHFFFAOYSA-N 425.876 4.414 5 20 IIBD C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 610212549 FVIGBGPJCNYYAM-HNNXBMFYSA-N 427.892 4.105 5 20 IIBD COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)CN(C)c2ccccc2[N+](=O)[O-])cc1 610292234 UQECTYOQRHELGB-UHFFFAOYSA-N 449.507 4.277 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[C@@H]1C(F)(F)F 611193736 UWDKRXBNFJSGFC-DOMZBBRYSA-N 448.463 4.349 5 20 IIBD CC(C)N[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C1 611202614 IDLYMCAFCGOVLE-QGZVFWFLSA-N 430.936 4.463 5 20 IIBD Cc1ccc([C@H](NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Br)C2CC2)cc1 725984077 DKRKOCFXUNMZSV-IBGZPJMESA-N 447.285 4.090 5 20 IIBD O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 727708182 UPKXXPQKKMMQAI-UHFFFAOYSA-N 443.372 4.240 5 20 IIBD COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)-c2ccccc2CCC3)cc1[N+](=O)[O-] 729244573 CFCMLGVDRVZXCF-UHFFFAOYSA-N 437.477 4.172 5 20 IIBD COCCCNC(=O)CN(C)C(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34 729262530 OXZQYGKZDPCEHQ-UHFFFAOYSA-N 444.531 4.158 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cc([N+](=O)[O-])ccc1Br 729651354 WGHGYZJNGVWZDH-UHFFFAOYSA-N 428.626 4.191 5 20 IIBD O=C(OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 730613737 RATPFCRJYRRMHK-CVEARBPZSA-N 435.263 4.138 5 20 IIBD COc1ccc2cc(CN(C)C(=O)[C@H](C)OC(=O)c3cc(F)cc([N+](=O)[O-])c3)ccc2c1 731528540 AHOVHMIZTPIYHM-AWEZNQCLSA-N 440.427 4.100 5 20 IIBD CC(C)(Oc1cccc(Cl)c1)C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 733053881 OSYQUCHUQLEJSR-MRXNPFEDSA-N 446.887 4.254 5 20 IIBD CCCC1=C(C(=O)OCC)[C@@H](c2csc(-c3cccc([N+](=O)[O-])c3)n2)NC(=O)N1CC 733121865 PYNDXHGBPAGYJS-GOSISDBHSA-N 444.513 4.422 5 20 IIBD O=C(COC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)N[C@H](c1ccccc1)C1CCCC1 735355047 MRPRGHIUQDAJNX-HSZRJFAPSA-N 449.463 4.053 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)Cc3ccc(CN(C)C)cc3)cc2[N+](=O)[O-])C1 738516445 AKWBPHNCENZQMP-OALUTQOASA-N 438.572 4.411 5 20 IIBD O=[N+]([O-])c1ccc(CCCCNC(=S)NC2CCN(Cc3ccccc3)CC2)cc1 739437154 JLECQKQZRMPLCC-UHFFFAOYSA-N 426.586 4.046 5 20 IIBD COc1ccc(N(Cc2ccco2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1F 739673799 HVVBZHCQBFLEIO-UHFFFAOYSA-N 440.836 4.384 5 20 IIBD CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 741994119 ZDNILLGMOZIPIA-FQEVSTJZSA-N 437.883 4.252 5 20 IIBD C[C@@H]1C[C@@H]1[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccc(Cl)cc1 741998145 IGFMBBXUKYAQBC-IFSNEAJQSA-N 445.878 4.254 5 20 IIBD CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 742798868 YSIZVQJBBVFGIE-IIBYNOLFSA-N 446.525 4.403 5 20 IIBD CC(=O)Nc1ccc(OC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c(F)c1 742835875 KNVXTFRNGWSDEU-CYBMUJFWSA-N 438.415 4.480 5 20 IIBD COc1ccc([C@@H]2[C@H](COC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CCN2C)cc1 744150703 FUBMGFPPCOPJAX-IFXJQAMLSA-N 438.402 4.472 5 20 IIBD CCOC(=O)c1nc(-c2ccccc2)oc1COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 745074342 QGXVSTCQQXJOCR-UHFFFAOYSA-N 438.436 4.448 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 745347854 PQXVXYOYTPTIAV-HUUCEWRRSA-N 439.251 4.196 5 20 IIBD CC(C)Cc1nc(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cs1 745861145 FKYDCWHAOVTCHL-QGZVFWFLSA-N 445.541 4.492 5 20 IIBD C[C@@H]1CC[C@@H](C)N1CC(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 746106789 QNNATTRFMKLABX-ZIAGYGMSSA-N 431.876 4.279 5 20 IIBD COc1cc(N2CCC(OC(=O)C3CC(OCc4ccccc4)C3)CC2)ccc1[N+](=O)[O-] 747121022 BPEABYFUYXUSGZ-UHFFFAOYSA-N 440.496 4.111 5 20 IIBD CCOC(=O)[C@H](Cc1ccccc1)OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 747955751 XMDFZQZXWYSGMV-SFHVURJKSA-N 426.450 4.050 5 20 IIBD Cc1ccsc1CCCC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 748430615 PJCOJZCCZSIQOU-UHFFFAOYSA-N 430.404 4.488 5 20 IIBD COCCONC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2 748770382 SEOUXYPIDRDJFB-ICFOKQHNSA-N 433.464 4.328 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 751269550 CKLZQTFEDHIFRO-ZDUSSCGKSA-N 447.296 4.260 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCc2cc(-c3ccccc3)oc2C1 752121968 VFNMSCICVZYHBO-UHFFFAOYSA-N 425.828 4.032 5 20 IIBD Cc1ccc(Oc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3Cl)cc2)nn1 753076877 CIWKVODSRDTCNB-UHFFFAOYSA-N 434.861 4.248 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 753365711 WWWYHQCEULEUKZ-QFIPXVFZSA-N 434.537 4.166 5 20 IIBD C[C@H](C(=O)OCc1nc(N)c2c3c(sc2n1)CCCC3)c1ccc([N+](=O)[O-])cc1F 755065455 QTZVGDQWWGDCNV-JTQLQIEISA-N 430.461 4.047 5 20 IIBD COc1cccc(CN(C[C@H]2CCCO2)C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c1 757260489 FUTWGBGXFBOEPY-LJQANCHMSA-N 433.892 4.148 5 20 IIBD COC1CCC(CC(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 758611452 ZPQGBNXBVLFADV-TUBUQKNSSA-N 447.513 4.184 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 758803364 TULIMINOQDMLDG-MJGOQNOKSA-N 448.564 4.252 5 20 IIBD O=C(O[C@@H]1CCOc2cc(Cl)cc(Cl)c21)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 759200670 SSNZQWZPNLZBQG-OAHLLOKOSA-N 435.223 4.163 5 20 IIBD C[C@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ncc(Cl)cc1Cl 762988271 IOAINTHBBQUJBF-VIFPVBQESA-N 444.246 4.284 5 20 IIBD CCCC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)c1 763435556 ZPQOQGTZNTZXBU-UHFFFAOYSA-N 429.857 4.235 5 20 IIBD CC(C)[C@@H](OC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(=O)N[C@H]1CCOc2ccccc21 763715029 GNZAXWOFBINNBK-QFBILLFUSA-N 432.860 4.070 5 20 IIBD Cc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 763797933 RUAOGRYEOLWNDU-CQSZACIVSA-N 446.529 4.164 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1 765583208 ZPTKBYFHNZCNTN-AEFFLSMTSA-N 443.519 4.141 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1cccc2ccccc12 766219005 DSQUHOOCTFXIQB-OAHLLOKOSA-N 429.432 4.330 5 20 IIBD O=C(COC(=O)/C=C\SCc1ccco1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 767390759 OBNYVIVSXGQRMC-ALCCZGGFSA-N 430.360 4.135 5 20 IIBD COc1ccc(-c2nc(COC(=O)c3cc(Br)cc([N+](=O)[O-])c3)co2)cc1 770158500 YQOUGYQAJQITAC-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)c1cc([N+](=O)[O-])c2nsnc2c1 771509797 LUDKDNWXHWSUCV-PMERELPUSA-N 444.538 4.433 5 20 IIBD COc1cc([C@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1S(=O)(=O)C(F)F 773049436 RQEIOUBRYGPDSS-OLZOCXBDSA-N 428.457 4.320 5 20 IIBD O=[N+]([O-])c1cc(Cl)c2c(cnn2CN2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)c1 774641025 WSLOUNUNMSLEJO-QGZVFWFLSA-N 438.818 4.230 5 20 IIBD COC(=O)N1CCC([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 776968198 IEONBGZPNPTNRK-HNNXBMFYSA-N 449.573 4.474 5 20 IIBD CC1=C(C(=O)Nc2cccc(C)c2C)[C@@H](c2ccc([N+](=O)[O-])cc2F)NC(=S)N1C 777943160 UZMPDWXWMPLEIP-LJQANCHMSA-N 428.489 4.124 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCO[C@H](c2ccc(F)cc2F)C1 779443170 GSECSZUSHOHSGD-INIZCTEOSA-N 442.216 4.241 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 780047853 SRMXCYMDBNVGOF-FQEVSTJZSA-N 440.887 4.264 5 20 IIBD C[C@H](OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 781259499 FLXQHEMMIFHGGY-DRCYAFTPSA-N 432.520 4.168 5 20 IIBD C[C@]1(C(=O)O[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)CCCOC1 781294829 XCSOJGFNKBCFKO-NQIIRXRSSA-N 432.860 4.288 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccccc1Cl 781679169 XQZYBCLKDSYDSX-SNVBAGLBSA-N 441.665 4.045 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@H](c1cncc(Br)c1)C1CC1 790775753 BPULISHNLACHHW-INIZCTEOSA-N 439.697 4.356 5 20 IIBD CC(C)c1csc(CNC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)n1 790779026 OJZYLVPRNDYQEV-UHFFFAOYSA-N 439.335 4.205 5 20 IIBD CN(C)c1cc(F)c(C(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)cc1[N+](=O)[O-] 791337765 WPXVMHDKCXIZPU-UHFFFAOYSA-N 437.353 4.257 5 20 IIBD Cc1cc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c(C(=O)NCC(F)(F)F)cc1F 793988335 OARPLPRCWIXYCX-UHFFFAOYSA-N 438.337 4.068 5 20 IIBD O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)Nc2ccc(OCc3ccncc3)cc2)c1 795315744 ZJMSMYQFEJKOPN-UHFFFAOYSA-N 437.836 4.162 5 20 IIBD COCc1ncc(C(=O)O[C@@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])s1 797276219 SEGMITOUZMTSAB-AWEZNQCLSA-N 429.292 4.005 5 20 IIBD O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1sc(N2CCOCC2)nc1-c1ccccc1 799320760 JAVYWFUVLVJYGB-UHFFFAOYSA-N 443.456 4.051 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(c2cccc(F)c2)CC1 802409089 NMXXYGNOOOZDQM-UHFFFAOYSA-N 425.464 4.023 5 20 IIBD COc1ccc(F)c2[nH]c(C(=O)N3CCc4c(Br)ccc([N+](=O)[O-])c4C3)cc12 803546251 CXCPHHXKNJPKRO-UHFFFAOYSA-N 448.248 4.185 5 20 IIBD CCCN(CCC)CCCC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 803546833 OHFBJFDRJOMNIF-UHFFFAOYSA-N 426.355 4.144 5 20 IIBD COc1c([N+](=O)[O-])cc(N[C@H](C)c2c(F)cncc2F)c([N+](=O)[O-])c1Br 804839398 GZWSDAOJYLABIO-ZCFIWIBFSA-N 433.165 4.120 5 20 IIBD C[C@H](Nc1ccc(C(=O)OCCCC(=O)N2CCCCC2)cc1[N+](=O)[O-])c1ccccn1 805422728 IOSRMYODOPSWFP-KRWDZBQOSA-N 440.500 4.112 5 20 IIBD CSc1cccc(C(=O)O[C@@H](C)c2ccc(SCC(=O)N(C)C)cc2)c1[N+](=O)[O-] 809070471 METWSLBWEWYEFU-ZDUSSCGKSA-N 434.539 4.415 5 20 IIBD Cc1ccc(C2(c3noc([C@H]4CC(c5ccccc5[N+](=O)[O-])=NO4)n3)CCOCC2)cc1 809522240 VDFLPGNKXLQOPD-HXUWFJFHSA-N 434.452 4.248 5 20 IIBD Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)OCCn2c([N+](=O)[O-])cnc2C)cs1 810540998 KDUVIRSHZQFONP-UHFFFAOYSA-N 432.477 4.192 5 20 IIBD O=C(Cc1ccc(NC(=O)C2CC2)cc1)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811217145 RLVVQVRWANWURS-UHFFFAOYSA-N 437.477 4.353 5 20 IIBD O=C(O[C@H]1CCN(c2c(F)cccc2F)C1=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811373695 KMGKDAONAKORKM-ZDUSSCGKSA-N 431.178 4.142 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)OCc2ccc(C(C)C)nc2C)ccc1[N+](=O)[O-] 815202688 XLGXLCFUJJDXFE-NRFANRHFSA-N 425.485 4.078 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N[C@H](c1ccccc1)[C@@H](O)c1ccccc1 816794045 XMLYCKIFOMJZTB-PKTZIBPZSA-N 435.436 4.027 5 20 IIBD CC(C)[C@H](OC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCSc2ccccc21 877058304 YJWGDWSIJDISRW-ZAGZISDZSA-N 426.494 4.315 5 20 IIBD O=C(Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])ccc1Cl 902924506 NSJVTVRLQRLNAD-UHFFFAOYSA-N 439.811 4.482 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cccnc3Cl)cc2)cc1[N+](=O)[O-] 913461725 OZYXCEHIGNVYGB-UHFFFAOYSA-N 446.872 4.005 5 20 IIBD O=C(NCc1ccccn1)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1Cl 916085321 JTBNGMQFFSFHKQ-UHFFFAOYSA-N 445.262 4.479 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC[C@H]2c2ccccc2Cl)c(S(=O)(=O)N2CCCC2)c1 917090710 ICABAARLXMCRBM-SFHVURJKSA-N 435.933 4.374 5 20 IIBD O=C(COC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1)N[C@H](Cc1ccccc1)c1ccccc1 917327506 DWYIWRWRBPBUPS-JOCHJYFZSA-N 443.459 4.333 5 20 IIBD COc1ccc(CN(C)C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1F 917353783 OGDVLXZYQMWIMQ-HZPDHXFCSA-N 429.492 4.497 5 20 IIBD CCOc1cccc(NC(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 917780922 JUDOIJPGGULREK-UHFFFAOYSA-N 442.449 4.014 5 20 IIBD Cc1ccc([C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2I)cc1 918537396 QUEVNEVDZPKAFB-QGZVFWFLSA-N 436.249 4.485 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)c1cc2c(s1)CCC2)c1cccc([N+](=O)[O-])c1 918636922 ISJKMDNIODEGLB-QGZVFWFLSA-N 428.510 4.387 5 20 IIBD CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 918646693 SBDWHGOEUUFXEZ-GFCCVEGCSA-N 440.258 4.052 5 20 IIBD Cc1c(C(=O)O[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 919225597 IRHYNFROAZITGN-JTQLQIEISA-N 441.318 4.014 5 20 IIBD C[C@@H](OC(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1)C(=O)Nc1cccc([N+](=O)[O-])c1 919522685 BAPJWFGCQUDLKL-SNVBAGLBSA-N 437.330 4.159 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O[C@H](C(=O)N1CCCCC1)c1ccccc1 920776592 AEKIPCRGUIBVJU-QRWLVFNGSA-N 446.887 4.313 5 20 IIBD CCCN(C[C@@H]1COc2ccccc2O1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 1263697444 YUICJYURGIKHAY-LJQANCHMSA-N 439.512 4.277 5 20 IIBD O=C(CCOc1cc(Cl)ccc1Cl)OCc1cc([N+](=O)[O-])cc2c1OCOC2 1317969653 SGEYRWZAYAAPJV-UHFFFAOYSA-N 428.224 4.280 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@@H](C)N2CCN(c3ccc(F)cc3)CC2)n1 1320923540 OJHVPZAUEGMHOB-MRXNPFEDSA-N 425.464 4.284 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Br)C1 1321394848 SDKWGRBNGSKTFB-KGLIPLIRSA-N 442.354 4.483 5 20 IIBD NC(=O)[C@@H]1CCCN(c2ccc(C(=O)OCc3nc4ccccc4c4ccccc34)cc2)C1 1324282291 LMNBAHUBHLIHEY-LJQANCHMSA-N 439.515 4.447 5 20 IIBD O=C(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)N(CC(F)(F)F)c1ccc(Cl)cc1 1325764807 SJAMNPTYUJQGSA-UHFFFAOYSA-N 439.781 4.102 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3nc(-c4ccc(F)cc4)n4c3CCCCC4)n2)nc1 1337932392 PBQDYPZCDXZQRC-UHFFFAOYSA-N 434.431 4.360 5 20 IIBD CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1Br 1340827847 YJOYAAPBEDRJAN-HNNXBMFYSA-N 449.301 4.040 5 20 IIBD Cc1ncccc1C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc([N+](=O)[O-])o3)CCC2)cc1 1787317308 LBHRLEQGSBHQBH-PKNBQFBNSA-N 446.463 4.352 5 20 IIBD O=C(Cc1ccncc1)Nc1ccc(C2(NC(=O)c3cccc(F)c3[N+](=O)[O-])CCC2)cc1 1790388429 XNDLFPXODAGYJY-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD CO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3C)cc2)CCC1 1790773572 CLRGKGIQWZCRMY-CQSZACIVSA-N 445.903 4.339 5 20 IIBD Cc1c(C(=O)N2CCCC23CN(C(=O)[C@@]2(C)CC=CCC2)C3)cc(Cl)cc1[N+](=O)[O-] 1845500231 GDCPTTXBBMDGCK-NRFANRHFSA-N 431.920 4.120 5 20 IIBD O=C(c1ccc(F)cc1)N1CC2(CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 1845739425 WIFIVJKIALOGPA-UHFFFAOYSA-N 439.468 4.079 5 20 IIBD O=C(COC(=O)c1cc2c(s1)-c1ccccc1CC2)Nc1cc([N+](=O)[O-])ccc1F 9814978 CBAIBODGLFOYNV-UHFFFAOYSA-N 426.425 4.357 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(NCc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 15165870 BWJTZAZRGDBADS-UHFFFAOYSA-N 431.436 4.256 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC3CCCCCC3)cc2)cc1[N+](=O)[O-] 15617542 VDFCBQJDMFTRSA-UHFFFAOYSA-N 431.514 4.157 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N(CCc1ccccc1)Cc1ccccc1 15962979 NGPIMTFTXLIOKQ-UHFFFAOYSA-N 445.519 4.317 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(C(C)C)nc3ccccc23)c([N+](=O)[O-])c1 18599789 YMLARDHFVIXERH-CQSZACIVSA-N 437.452 4.459 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Oc3ccccc3Br)cc2)c(C)c1[N+](=O)[O-] 20011750 VCDVXHXRWQUDPY-UHFFFAOYSA-N 430.258 4.438 5 20 IIBD CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)CC(=O)Nc1ccccc1[N+](=O)[O-] 21134254 WGJCPIGQQCMKSH-UHFFFAOYSA-N 439.299 4.191 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1cccs1 21665572 ZFLWKXSNHPCNBW-NSHDSACASA-N 433.515 4.063 5 20 IIBD C[C@@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)N1CCc2ccccc2C1 22253613 PTJYIKMAFXHPCA-MRXNPFEDSA-N 429.545 4.152 5 20 IIBD CCOc1cc(NC(=O)c2cnn(Cc3ccccc3)c2CC)c([N+](=O)[O-])cc1OCC 97295858 UACSCDCMQOORQN-UHFFFAOYSA-N 438.484 4.452 5 20 IIBD Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 110322709 RORSHMKWNYDTQW-AZUAARDMSA-N 439.512 4.239 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc2nc(/C(Cl)=C\c3ccc([N+](=O)[O-])cc3)[nH]c2c1 206100839 IRKJOPPRWASYTM-LFIBNONCSA-N 434.905 4.239 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC3(C)CCCCC3)cc2)cc1[N+](=O)[O-] 303031966 UJYBOKSMUBDPCD-UHFFFAOYSA-N 431.514 4.157 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1 303270587 RCOCRRVRCVGGTM-JTQLQIEISA-N 433.383 4.388 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)Sc2ccc(Br)cc2)c1 303337860 CPHLLEHNMJBOIL-NSHDSACASA-N 425.304 4.277 5 20 IIBD Cc1c(Cl)cccc1-n1c(SCCn2cc([N+](=O)[O-])cn2)nc2ccccc2c1=O 303860845 GMNUTJCHHKNIAG-UHFFFAOYSA-N 441.900 4.245 5 20 IIBD C[C@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1cc2ccccc2s1 410281419 IYPDVLIFPXRQQY-ZDUSSCGKSA-N 425.466 4.375 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)N1CCC(O)(C(F)F)CC1 428643575 PFGPVBLCYXHHRL-UHFFFAOYSA-N 439.846 4.093 5 20 IIBD CN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 428936042 ZEQAGAYXHJIZCY-FQEVSTJZSA-N 425.876 4.012 5 20 IIBD COc1ccc(Br)c(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 429796950 ZRATXWLYTGNZAH-UHFFFAOYSA-N 430.052 4.381 5 20 IIBD COc1ccccc1CN(C[C@H]1CCCO1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] 429972974 UFGGQHMBGYKCRJ-MRXNPFEDSA-N 449.301 4.187 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 432512943 YRCCPZZFRYNJOK-UHFFFAOYSA-N 435.933 4.467 5 20 IIBD C[C@H]1C[C@H](C)CN(C(C)(C)CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 436155184 RXOKYOIBZUSFIE-GJZGRUSLSA-N 441.522 4.446 5 20 IIBD Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2O)cccc1C(=O)N1CCc2sccc2C1 436673763 LYSAGNKCRUGWOY-UHFFFAOYSA-N 437.477 4.121 5 20 IIBD O=C(Nc1ccc(OC2CCCCC2)cc1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 437069719 SJUZOHNNGAECAS-UHFFFAOYSA-N 437.496 4.436 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@H](OC1CCOCC1)c1ccccc1 437403948 IIBCINWUCZISOD-VFNWGFHPSA-N 429.473 4.050 5 20 IIBD CCn1c([C@H]2CCCN2CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)nc2ccccc21 437642806 AAYVLGOMQMRGEN-HXUWFJFHSA-N 437.500 4.139 5 20 IIBD C[C@H]1CC[C@@H](CCC(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)O1 439027460 XVLKZWCCZLOTOR-ROUUACIJSA-N 443.569 4.315 5 20 IIBD Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 443877441 BTGNSLLCWRVPQM-MRXNPFEDSA-N 439.415 4.076 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCC(OC[C@@H]2CCCCO2)CC1 444171573 WZIVNGPERCCZQH-KRWDZBQOSA-N 438.499 4.011 5 20 IIBD CC(C)C[C@@H](NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)C(=O)OC(C)(C)C 444236525 CDSWBVMFJCSWRW-GOSISDBHSA-N 444.478 4.446 5 20 IIBD CCn1c(SCc2nc(Cc3cc(OC)ccc3[N+](=O)[O-])no2)nc2ccccc21 445573408 HIKIGYWQLRQKBB-UHFFFAOYSA-N 425.470 4.239 5 20 IIBD C[C@H](C1CC1)N(C(=O)c1cc(C(=O)N(C2CC2)[C@H](C)C2CC2)cc([N+](=O)[O-])c1)C1CC1 460671155 AOOMIIPPONQCRM-HUUCEWRRSA-N 425.529 4.401 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCC(c4noc(C5CC5)n4)CC3)cc2[N+](=O)[O-])CC1 462902150 HFGZMGVZMHBTCO-UHFFFAOYSA-N 439.516 4.111 5 20 IIBD CSc1cccc([C@@H](NC(=O)Cn2cc([N+](=O)[O-])nc2C)c2cc(F)ccc2F)c1 464131878 PZOGVMNIJHJMST-HXUWFJFHSA-N 432.452 4.006 5 20 IIBD CC(C)[C@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1nc2ccccc2[nH]1 465458061 YFYYILINEYAGGI-NRFANRHFSA-N 437.500 4.421 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2ccc(F)cc2C(F)(F)F)c1 467425675 QRAVQWUKNLUSCU-UHFFFAOYSA-N 443.172 4.316 5 20 IIBD O=C(NCc1ncnn1-c1ccccc1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 467926889 MOAPEDBFNUJKIJ-UHFFFAOYSA-N 430.424 4.290 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])Nc1cccc(C[S@](=O)Cc2ccccc2)c1 467975092 YNOOOUBWPSKEKT-WJOKGBTCSA-N 437.521 4.408 5 20 IIBD CCCN(Cc1c(F)cccc1Cl)C(=O)[C@@H](CC)Nc1c([N+](=O)[O-])c(C)nn1C 468530713 ULZKPLGGWCBQLO-MRXNPFEDSA-N 425.892 4.059 5 20 IIBD O=C(c1cc([N+](=O)[O-])c[nH]1)N(Cc1cccc(Br)c1)CC1(O)CCCCC1 472002217 KWOKPMKGJNMZTD-UHFFFAOYSA-N 436.306 4.023 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 476365650 OZOFYONRUJPETL-NVXWUHKLSA-N 426.256 4.032 5 20 IIBD CC1CCN(c2nnc(SCc3ccc([N+](=O)[O-])cc3F)n2C[C@H]2CCCO2)CC1 476511932 RZTWBOBHPMKAAV-QGZVFWFLSA-N 435.525 4.033 5 20 IIBD C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C[C@@]2(CCOC2)O1 478428027 NKUFMBQWTMQNEF-SPLOXXLWSA-N 448.928 4.419 5 20 IIBD CC1(c2cccc(Cl)c2)CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 478486095 UXEQRYZJHZSVSF-UHFFFAOYSA-N 425.876 4.023 5 20 IIBD COc1cc(C(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)cc([N+](=O)[O-])c1C 478712174 WIDVDLZZBDHTGO-UHFFFAOYSA-N 437.427 4.233 5 20 IIBD CN(C)[C@]1(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCSC1 481208879 YVTLOZZLIQNSDC-FQEVSTJZSA-N 435.933 4.208 5 20 IIBD CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C[C@@]2(CCCOC2)O1 482854884 GVAOYVOTMLUOCE-HSZRJFAPSA-N 426.469 4.187 5 20 IIBD Cc1cc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)nn1C1CCCCC1 484976795 QQPVFNGQVOFQBM-UHFFFAOYSA-N 441.517 4.137 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CNC1(c2cc(C(F)(F)F)ccc2Cl)CC1 485008402 MCXAESHQBPFKFS-UHFFFAOYSA-N 443.809 4.493 5 20 IIBD Cc1c(Cc2noc(-c3cccc(-c4cnc5nc(O)n(C)c5c4)c3)n2)cccc1[N+](=O)[O-] 486065451 DVGIMFBHSRCFND-UHFFFAOYSA-N 442.435 4.198 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CCN(c2nc3ccccc3o2)CC1 486700660 ZFCVBBIOVYCBBP-UHFFFAOYSA-N 448.401 4.288 5 20 IIBD COc1ccc(CNS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc1OC1CCCC1 488763542 QNRCGKFVHHGOTD-UHFFFAOYSA-N 434.514 4.020 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3Cl)o2)c([N+](=O)[O-])c1 488787557 RTIPCSUDVNFBQQ-JTQLQIEISA-N 434.861 4.426 5 20 IIBD C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CCC[C@@H](c2nccs2)C1 494821549 SQQAYNAOZVREPC-DZGCQCFKSA-N 443.554 4.381 5 20 IIBD CCOc1cc(C(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)c([N+](=O)[O-])cc1OC 500884393 QFDAYQNUPVWBGV-UHFFFAOYSA-N 448.903 4.134 5 20 IIBD C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CCC(CCCN(C)C)CC1 501785375 LCOBTEJXFARLKO-MRXNPFEDSA-N 445.589 4.099 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N(Cc1ccc(O)cc1)Cc1ccco1 503611932 SDNCKTRQRMXHHA-UHFFFAOYSA-N 433.420 4.049 5 20 IIBD O=C(CCN1CCCCC1)Nc1ccc(NC(=O)CSc2ccccc2[N+](=O)[O-])cc1 505745369 XUFBETKDHIRALI-UHFFFAOYSA-N 442.541 4.140 5 20 IIBD CCc1cccc2c1OCC[C@H]2NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 507001484 JDUALARJPJXHMI-OAQYLSRUSA-N 434.496 4.272 5 20 IIBD COc1ccc(C2(CNC(=O)COc3cccc([N+](=O)[O-])c3)CCCCC2)cc1OC 510607685 PVUHJQLTQBXYNE-UHFFFAOYSA-N 428.485 4.009 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccsc1Br 512007892 KDLKKHVDJWAQLH-UHFFFAOYSA-N 431.333 4.087 5 20 IIBD COc1cc(CN(C)C(=O)COc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1 512961892 VNRJRTZPUMXFSD-UHFFFAOYSA-N 436.464 4.220 5 20 IIBD CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 513312036 ZAGIXTOOEJCXFK-UHFFFAOYSA-N 445.324 4.356 5 20 IIBD COc1ccc([C@@H]2CCCN2C(=O)CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(OC)c1 513404903 BGYNTEXXIBEYLK-QFIPXVFZSA-N 441.528 4.186 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 517806112 KTABAEJWCKNQKL-UHFFFAOYSA-N 437.283 4.282 5 20 IIBD COc1cc(OCC(=O)N(Cc2ccccn2)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] 519048315 DEWFKBJCOMTFAB-UHFFFAOYSA-N 427.844 4.264 5 20 IIBD Cc1c(NC(=O)CCC[S@](=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-] 522596447 BYASKQJUPJQNKU-VWLOTQADSA-N 425.304 4.192 5 20 IIBD COc1cc(OCC(=O)Nc2cc(-c3ccco3)nn2-c2cccc(C)c2)ccc1[N+](=O)[O-] 523162302 QLEAHDYZNYTCTE-UHFFFAOYSA-N 448.435 4.375 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccoc2CN2c3ccccc3C[C@H]2C)cc([N+](=O)[O-])c1 524567862 FGTIRYGJAFTGBU-CQSZACIVSA-N 435.436 4.178 5 20 IIBD Cn1ccnc1[C@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 524828203 RWCSDVFWAHKLSL-HXUWFJFHSA-N 441.919 4.393 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)cc1[N+](=O)[O-] 525028710 NHWIVNJVJXBUNU-MRXNPFEDSA-N 449.960 4.275 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@@H]2c3ccccc3C[C@H]2O)cc1 531251042 WXWSWQDBKIKXTK-ILBGXUMGSA-N 426.476 4.195 5 20 IIBD Cc1ccc(C(=O)C2CCN(S(=O)(=O)c3c([N+](=O)[O-])ccc(C)c3C)CC2)c(C)c1 531938815 IOTHQWOSVIMBKG-UHFFFAOYSA-N 430.526 4.112 5 20 IIBD COc1cc(CNc2ccc(C)c(-n3cnnn3)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 532726491 BKIJMXBVXKGSJB-UHFFFAOYSA-N 446.467 4.079 5 20 IIBD CCOC(=O)c1sc(NC(=O)c2cc(OC)c(OCC)cc2[N+](=O)[O-])nc1C(C)C 533872835 KABTWXSMAMFANJ-UHFFFAOYSA-N 437.474 4.011 5 20 IIBD CN(C(=O)c1cc(I)cc([N+](=O)[O-])c1)c1cccc2ncccc12 535032613 PPWJNGBBASJSLM-UHFFFAOYSA-N 433.205 4.024 5 20 IIBD COCCOCc1cc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)ccc1F 538250450 QZQIJJQHNXMBHO-UHFFFAOYSA-N 445.472 4.297 5 20 IIBD CCN1CC[C@H](N(C)Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C[C@@H]1C 539817227 LXIIOBMOKQQTOG-AVRDEDQJSA-N 427.545 4.487 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cc(C(N)=O)ccc2NCc2ccccc2)c1 540622735 VIVIDPANMFCGFG-UHFFFAOYSA-N 448.479 4.022 5 20 IIBD Cc1c(S(=O)(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)cnn1-c1ccc(Cl)cc1 540651636 CADZEHXWRLSBKR-UHFFFAOYSA-N 443.872 4.091 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCn2c(nnc2C2CCCC2)C1 540761847 FDRNLGAZLCFYLU-UHFFFAOYSA-N 429.546 4.392 5 20 IIBD COc1cc(CN(C)C2CCC(NC(C)=O)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 542463744 NAKXCHRNMZHYML-UHFFFAOYSA-N 441.528 4.062 5 20 IIBD COc1ccc(-c2nc(Cn3cc([N+](=O)[O-])c(C)c(Br)c3=O)cs2)cc1 544080919 LXIZYPZOFUUJOU-UHFFFAOYSA-N 436.287 4.008 5 20 IIBD O=[N+]([O-])c1cc2c(cc1Cc1nc(-c3ccccc3Oc3ccccn3)no1)OCCO2 545654253 YCQKXMLBIIZKHH-UHFFFAOYSA-N 432.392 4.194 5 20 IIBD COc1ccc(CSCc2nc(-c3ccc4oc(N(C)C)nc4c3)no2)cc1[N+](=O)[O-] 547236218 PXCGTQZRZGUJCR-UHFFFAOYSA-N 441.469 4.294 5 20 IIBD CCOc1ccc(O[C@H](C)c2nnc(N(C)Cc3ccccc3[N+](=O)[O-])n2CC)cc1 549046204 CXKQCRULKHKVKZ-MRXNPFEDSA-N 425.489 4.381 5 20 IIBD O=C(N[C@H]1CCCN(c2ccccc2Cl)C1=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 551427288 DLUANBQTUDJCEN-HNNXBMFYSA-N 441.793 4.192 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 558885799 XXSLXIGARJRNPW-JTHBVZDNSA-N 446.555 4.364 5 20 IIBD Cn1ccnc1[C@H](NCc1cccc(NC(=O)c2ccccc2)c1)c1cccc([N+](=O)[O-])c1 560531467 IKBVKBCTYYVSQA-HSZRJFAPSA-N 441.491 4.460 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCOc4cc(O)ccc4C3)cc2[N+](=O)[O-])n1 561262674 XHEYMSLWCJOCKP-UHFFFAOYSA-N 443.506 4.251 5 20 IIBD Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CCCO)Cc1ccc(Cl)c(Cl)c1 564340903 HQTNKFXEKUYZMW-UHFFFAOYSA-N 436.299 4.086 5 20 IIBD CC(=O)N(c1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1)[C@@H]1C[C@H]1C 568684272 OHHSXBQJQGPXHF-WAIKUNEKSA-N 436.512 4.211 5 20 IIBD Cc1cccc([C@H]2CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3C[C@H]3CCOC3)C2)c1 569331524 UJLKDNJXXIWNPK-NQIIRXRSSA-N 433.512 4.192 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 575080026 YYKKIVUNHNFZAD-OAQYLSRUSA-N 437.540 4.264 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cc(C)n(-c4c(F)cccc4F)n3)n2)c1 577324538 YQQJDIXACOOIPB-UHFFFAOYSA-N 427.367 4.017 5 20 IIBD CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 580349953 ZGJYUHCXAUGSSM-OAQYLSRUSA-N 443.548 4.064 5 20 IIBD C[C@@H]1C[C@@H](CCN[C@@H](c2ccc([N+](=O)[O-])cc2)c2nccn2C)CN1Cc1ccccc1 584069025 HEZJZFUKEJOGSU-ZYKOEDHHSA-N 433.556 4.308 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)n1 588015185 FQMHXRYFEOYDSZ-UHFFFAOYSA-N 439.299 4.160 5 20 IIBD C[C@H]1CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)CCC1(F)F 589433149 BCOAATRQBFPIFS-NSHDSACASA-N 441.481 4.250 5 20 IIBD CCN(C(=O)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1)c1ccccc1 603990036 WVIJZMPWHNKAMV-UHFFFAOYSA-N 433.464 4.451 5 20 IIBD CC(C)(NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)cc1 604125071 UUWAVKLZMPPCAD-UHFFFAOYSA-N 426.698 4.474 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)N1CCc2[nH]c3ccc(Br)cc3c2C1 604474783 SHPPNHHMAAUQPD-UHFFFAOYSA-N 429.274 4.107 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC1CCN(c2nc3ccccc3s2)CC1 604481800 GUNUVJAGBXWVRW-UHFFFAOYSA-N 439.541 4.182 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C[C@@H]1CCCO[C@H]1c1ccccc1 604520835 VINDZXFKVZFVMI-MBSDFSHPSA-N 427.501 4.032 5 20 IIBD CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 604573103 LCULLLYEJZURJG-FQEVSTJZSA-N 440.496 4.193 5 20 IIBD COc1ccccc1[C@@H]1CCCN1c1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] 609039751 HVDNZKFOTJJPNC-IBGZPJMESA-N 445.541 4.120 5 20 IIBD COc1cc(CN(C)C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])ccc1OC(F)F 609125749 KDWMWLRBSGTKMQ-UHFFFAOYSA-N 442.440 4.208 5 20 IIBD C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCc2[nH]c3ccc(Br)cc3c2C1 609196592 ASMKIIUFTKWEPU-GFCCVEGCSA-N 443.301 4.224 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 609793725 LVFVUDMPWAMGLF-INIZCTEOSA-N 440.302 4.364 5 20 IIBD COc1ccc(Cn2ncc(C)c2NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1OC 609855913 MTNWBYDMZIZXCI-UHFFFAOYSA-N 430.848 4.071 5 20 IIBD CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 609859970 YKESCXCWFHNTKI-UHFFFAOYSA-N 429.826 4.471 5 20 IIBD Cc1cc(N2CCCC2)ccc1Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 610322759 SBVLZOPRPRBKRB-UHFFFAOYSA-N 430.530 4.032 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2n[nH]c(C)c2-c2cccc(Cl)c2)cc([N+](=O)[O-])c1 610354541 JXNVUIQINAMSLK-UHFFFAOYSA-N 428.832 4.376 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2sc(Br)cc2C1 610935101 PLYBLCXIFJLSIJ-JTQLQIEISA-N 427.345 4.484 5 20 IIBD CCOC(=O)c1cc(-c2nc(-c3cccc(NC(=O)NC(C)C)c3)no2)cc([N+](=O)[O-])c1 612906261 YZBSFOTVAKDENA-UHFFFAOYSA-N 439.428 4.018 5 20 IIBD COc1cc(CCNC(=O)N(C)Cc2cccc(Cl)c2Cl)c([N+](=O)[O-])cc1OC 616169587 VMLFKNFOLLDZAY-UHFFFAOYSA-N 442.299 4.303 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)ccc1[N+](=O)[O-] 725948109 KTUSXNLAAVWQML-HNNXBMFYSA-N 426.425 4.091 5 20 IIBD Cc1c(COC(=O)C2(c3ccc(Br)cc3)CCOCC2)cccc1[N+](=O)[O-] 726051336 NQNJDZQAFJRSRO-UHFFFAOYSA-N 434.286 4.457 5 20 IIBD Cc1c(C(=O)Nc2ccc(-c3noc(C(F)F)n3)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 726931889 SUFLMGXFIJDCAX-UHFFFAOYSA-N 433.327 4.360 5 20 IIBD COc1ccc(C(OC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)c2ccc(OC)cc2)cc1 727956576 GTRARYXOTKIKBP-UHFFFAOYSA-N 437.448 4.496 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)cc1SC 728650952 NLHCINSXQFFDRS-UHFFFAOYSA-N 445.280 4.428 5 20 IIBD CN(CC1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1)C(=O)OC(C)(C)C 729036442 DSYCMLIDOBIOSN-UHFFFAOYSA-N 426.901 4.359 5 20 IIBD CC(C)N(Cc1ccc(F)cc1)C(=O)c1ccc(I)c([N+](=O)[O-])c1 730471830 ZEEHTYASNDVIJI-UHFFFAOYSA-N 442.228 4.389 5 20 IIBD C[C@H](OC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 731529574 YNZQVBOCGSIEMG-HNNXBMFYSA-N 438.411 4.497 5 20 IIBD O=C(Nc1ccc(Cl)nc1)c1ccc(C(=O)Nc2ccc(Cl)nc2)c([N+](=O)[O-])c1 733805099 PUVXLRJANXVQAX-UHFFFAOYSA-N 432.223 4.196 5 20 IIBD C[C@@H](OC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1nc2cc(Br)cnc2[nH]1 735215050 YAMUDDRVXRDQQT-LLVKDONJSA-N 448.277 4.125 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)Cc1csc(NC(=O)c2cccs2)n1 735643998 KWQXIXSJRNTHFU-UHFFFAOYSA-N 437.886 4.475 5 20 IIBD O=C(COC(=O)c1ccccc1OC1CCC1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 735742164 ZLFXQGCQXLUJFL-UHFFFAOYSA-N 438.358 4.340 5 20 IIBD O=C(/C=C\c1cc(C(F)(F)F)ccc1Cl)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 735822040 MMLBCFBYNHPVFO-HFDGLISDSA-N 440.809 4.388 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@H]3SCCc4ccccc43)CC2)ccc1[N+](=O)[O-] 744174431 KTQWZZVUGKGSAO-NRFANRHFSA-N 428.510 4.146 5 20 IIBD Cc1sc(NC(=O)C(C)C)c(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1C 744937370 RFDHCQTUOYWIBN-ZDUSSCGKSA-N 447.513 4.360 5 20 IIBD COc1ccc(NC(=O)[C@H](OC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(C)C)cc1 745569694 YWFGBUBFMFMUJX-QGZVFWFLSA-N 440.374 4.442 5 20 IIBD C[C@@H](OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1nc(-c2ccc(Cl)cc2)no1 746073315 NPYILHTYOBCAMX-GFCCVEGCSA-N 439.815 4.402 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(C2CC2)nc2ccc(C)cc12 747048139 HRMKXBDZOAIXKE-UHFFFAOYSA-N 435.436 4.133 5 20 IIBD CN(C)[C@H](C(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1c(F)cccc1Cl 747822489 JEBHXXUEDAYBPI-SFHVURJKSA-N 433.823 4.388 5 20 IIBD CCn1cc(CC(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc21 748414182 DRLZQZMMTCDUHD-CYBMUJFWSA-N 429.860 4.336 5 20 IIBD C[C@H]1CCCCN1CCCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 749568562 NMOAFIDNPJNUNX-LBPRGKRZSA-N 432.746 4.395 5 20 IIBD O=C(NCCOc1ccc(C(F)(F)F)cc1)c1cc([N+](=O)[O-])ccc1Br 751091185 UCHZDQQSFKJOCG-UHFFFAOYSA-N 433.180 4.185 5 20 IIBD O=C(Nc1cccnc1)c1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1 751110883 PRTOZYZXZBFOLD-UHFFFAOYSA-N 442.225 4.224 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)cc1[N+](=O)[O-] 752194336 CNSCTHJKYQOLDG-UHFFFAOYSA-N 449.920 4.236 5 20 IIBD COc1ccc([C@H]2CCCCCN2C(=O)COC(=O)c2c(F)ccc([N+](=O)[O-])c2F)cc1 752567821 WTZANCUTDDQEMF-QGZVFWFLSA-N 448.422 4.182 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(Cc1ccccc1)C[C@@H](O)c1ccco1 752775524 VMQBAFKRHZWWNM-HNAYVOBHSA-N 444.871 4.371 5 20 IIBD C[C@@H]1CCCCN1C[C@@H]1CCCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 755029312 RCAMMCXVPGQOGP-CABCVRRESA-N 439.354 4.476 5 20 IIBD C[C@H](CSc1ccc(F)cc1)C(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 756254360 FIVLQVOLAOFPOO-OAHLLOKOSA-N 433.505 4.317 5 20 IIBD C[C@@H](CSc1ccc(F)cc1)C(=O)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 756716689 PDFSVADPPGYCNH-ZDUSSCGKSA-N 434.445 4.004 5 20 IIBD O=C(Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)c1cc(F)cc([N+](=O)[O-])c1Br 758313814 GCDMKXLEDJNPHM-UHFFFAOYSA-N 441.163 4.417 5 20 IIBD CC(C)C(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 758736698 OMRQMZZKWUMNJR-CQSZACIVSA-N 437.452 4.028 5 20 IIBD COc1ccc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)C(F)(F)F)cc1 759084884 AOXLRXOOTDXLHJ-AWEZNQCLSA-N 433.180 4.399 5 20 IIBD C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 764295837 XBLXOFKWJAFNNL-ZDUSSCGKSA-N 432.933 4.337 5 20 IIBD CC[C@@H](OC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1cccc(Cl)c1F 766949560 CVWIWFKJNIDJGL-MRXNPFEDSA-N 434.807 4.349 5 20 IIBD O=C(N[C@@H](C(=O)O)c1cc(F)ccc1F)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 766961464 MYFQSAHFPRFMFE-HXUWFJFHSA-N 441.390 4.041 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)[C@@H](C)c2ccc(Br)cc2)cccc1[N+](=O)[O-] 766996737 MUQCCVMBCVEACM-WCQYABFASA-N 435.274 4.340 5 20 IIBD COc1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2-c2cccs2)cnc1Cl 767671288 KPLOSMYTSNKHRU-UHFFFAOYSA-N 426.859 4.148 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(N3CCC[C@@H](c4nc(C(F)(F)F)cs4)C3)cc2N1 771926185 CMDBJVREVBBDHY-LLVKDONJSA-N 426.420 4.339 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1cc(I)c(F)cc1F 772039033 UQFVJCSOGXCQPL-UHFFFAOYSA-N 440.090 4.008 5 20 IIBD Cc1cccc(-c2nc(C)c(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)[nH]2)c1 772107834 RBJBSCFPAAWZJH-UHFFFAOYSA-N 428.832 4.051 5 20 IIBD C[C@H](Cc1ccccc1)n1cccc1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F 773714040 UIFPDFWTFPWTTQ-OAHLLOKOSA-N 425.416 4.135 5 20 IIBD COc1cc(Br)c(N[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1OC 774344890 OHMJYJNSPGKUOG-TZMCWYRMSA-N 425.283 4.167 5 20 IIBD O=C(OCc1coc(-c2cccc(Cl)c2)n1)c1cccc([N+](=O)[O-])c1N1CCOCC1 776451053 GCHNLCYQYLIJCL-UHFFFAOYSA-N 443.843 4.097 5 20 IIBD C[C@H](Nc1ccc(C(=O)O[C@@H]([C@H]2CCOC2)C(F)(F)F)cc1[N+](=O)[O-])c1ccccn1 778036262 DTYCTXYBRLNNNZ-YEWDVWPNSA-N 439.390 4.287 5 20 IIBD C[C@@H](OC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1Br 778169597 LKZDRJOVHJNWEP-SNVBAGLBSA-N 443.200 4.020 5 20 IIBD O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCC2(CC1)OCCc1ccsc12 778692809 QQTLLIWOUJLYNH-UHFFFAOYSA-N 437.315 4.123 5 20 IIBD O=C(c1nc(Cl)c(Cl)c(Cl)c1Cl)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 785593288 VGVKYYIAIUQDDR-UHFFFAOYSA-N 439.086 4.277 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1 786288058 USOFMDRSIPVNFK-WBMJQRKESA-N 439.331 4.456 5 20 IIBD O=C(Cc1ccccc1CO)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 786767794 PFSGBMUZZBJEDM-UHFFFAOYSA-N 440.839 4.141 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(N2CCC(CN(C)C)CC2)cc1 791606856 WAKDVVLJWGARNB-UHFFFAOYSA-N 426.517 4.024 5 20 IIBD Cc1cccc(C)c1NC(=O)[C@H](C)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 792901275 ZIFQFQVELSLZOA-AWEZNQCLSA-N 432.318 4.359 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NS(=O)(=O)c1c(Cl)ccc(C)c1Cl 793350990 FEFIMTCKLQIXQP-ZDUSSCGKSA-N 445.324 4.284 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cc(F)c(Br)c(Cl)c1 803733958 BOUKOKYMYIHVQE-UHFFFAOYSA-N 445.628 4.254 5 20 IIBD Cc1cc([N+](=O)[O-])cc(Cl)c1NCc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 804700848 MIHXZKLSKCDDIE-NRFANRHFSA-N 428.876 4.394 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1 807297365 BJKKIOUPDQVVAF-UHFFFAOYSA-N 437.418 4.074 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@H](Nc3ccccc3)C2)c(Cl)cc1Cl 809826530 JBZMDZIPBFIBEW-ZDUSSCGKSA-N 430.313 4.167 5 20 IIBD O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CC(c2cc(F)ccc2F)=NO1 811220050 DUYFYSVPZQKOMT-GOSISDBHSA-N 445.403 4.233 5 20 IIBD Cc1ccc(Br)c(C)c1C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 814502276 ZUWJGLUDJAUXBS-UHFFFAOYSA-N 432.230 4.381 5 20 IIBD C[C@@H](OC(=O)Cc1c[nH]c2cccc(Cl)c12)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 814528235 VCUVDPXQPXAUMS-SNVBAGLBSA-N 436.251 4.496 5 20 IIBD COc1ccccc1[C@@H](CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)NC(=O)OC(C)(C)C 815561421 GQQXXTGASBLIJG-RDTXWAMCSA-N 430.505 4.102 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CC[C@@H](Sc2cccc(Cl)c2)C1 815753696 NMEPPTHACDBOEG-CQSZACIVSA-N 437.880 4.027 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)CCCOc1ccc(F)cc1 822760776 SQAPHWYFVGPQLK-UHFFFAOYSA-N 442.447 4.380 5 20 IIBD CCc1ccc([C@H](C)NC(=O)[C@@H](C)OC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 856620585 OXTBAKXPDSFHRR-XHSDSOJGSA-N 430.526 4.447 5 20 IIBD O=C(COC(=O)c1cc(-c2ccccc2Cl)[nH]n1)Nc1ccc(Cl)cc1[N+](=O)[O-] 914997962 PEZQXCHGRVESLU-UHFFFAOYSA-N 435.223 4.087 5 20 IIBD O=C(NCc1ccc2ccccc2c1)c1cc([N+](=O)[O-])ccc1I 915294275 XZXIAWLGMRIHNX-UHFFFAOYSA-N 432.217 4.283 5 20 IIBD Cc1ccc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1NS(=O)(=O)c1ccccc1 915602349 XHOFYZXDOPKBKB-UVTDQMKNSA-N 437.477 4.356 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 915663895 UZAJHJHJNZTOPQ-UHFFFAOYSA-N 444.459 4.295 5 20 IIBD C[C@H](OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)NC12CC3CC(CC(C3)C1)C2 916523126 FRDOKCZTOWCHLK-GKIRDALASA-N 432.542 4.092 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C)CCc2ccc(Br)cc2)cc1[N+](=O)[O-] 919759715 IWGHJEGWNFIJLY-LLVKDONJSA-N 436.262 4.325 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2ccc3nc(O)oc3c2)c2ccccc2)c([N+](=O)[O-])c1 920613793 JYAMSFGSQNWFCA-HXUWFJFHSA-N 447.403 4.287 5 20 IIBD C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N2CCCC2=O)cc1 920946181 MDEXHJMFCIMRDU-UONOGXRCSA-N 431.876 4.020 5 20 IIBD COc1ccc([C@@H](Nc2nc3ccccn3c2[N+](=O)[O-])c2ccc(OC)cc2OC)cc1 1116026503 JKURSSPQANMWDG-OAQYLSRUSA-N 434.452 4.470 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] 1263377224 USOJBDAIRWEAHC-UXHICEINSA-N 428.460 4.448 5 20 IIBD O=C(N/C(=C/c1ccco1)c1nnc(COc2ccccc2[N+](=O)[O-])o1)c1ccccc1 1326137088 NEFJAGYDEBFXKN-GHRIWEEISA-N 432.392 4.078 5 20 IIBD CC1CCN(C[C@H](C)c2nnc(CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])o2)CC1 1326265834 ICVVMIIAWQQACD-AWEZNQCLSA-N 441.454 4.487 5 20 IIBD O=C([C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1338432284 ZJUQJWFGFKANJM-ROUUACIJSA-N 434.323 4.350 5 20 IIBD COc1ccc(CCc2nnc(CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])o2)cc1 1345861071 HLBXZYGQNAHNNU-UHFFFAOYSA-N 436.390 4.445 5 20 IIBD CC1=C(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(C)c([N+](=O)[O-])c4)CCC3)cc2)CCO1 1788326998 IZMDUHLXFLDELW-UHFFFAOYSA-N 449.507 4.274 5 20 IIBD Cc1ccc(F)cc1C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1 1790183669 LGDGAZRVTNANIA-UHFFFAOYSA-N 436.443 4.432 5 20 IIBD O=C(CCC1CCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CSc1ccccc1[N+](=O)[O-] 1802182695 GHJHBIDRCZKIMC-REPLKXPHSA-N 445.585 4.296 5 20 IIBD CC(C)=CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)[nH]n1 1820798426 BPEGVPAFIKRGLC-FQEVSTJZSA-N 439.516 4.299 5 20 IIBD C[C@@H]1CCC[C@H]1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2F)n[nH]1 1821054559 ODZZHKRCDDBMCY-ZXYWRSMDSA-N 443.479 4.199 5 20 IIBD Cc1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/C(C)C)n[nH]2)cc1[N+](=O)[O-] 1823086924 PCIUOSBMXOCAKN-VQFGERMISA-N 439.516 4.073 5 20 IIBD O=C(c1cccc(Cl)c1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 1829834185 DWHKWMBHAZHVMW-IBGZPJMESA-N 444.919 4.123 5 20 IIBD Cc1cccc(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C3)c1Cl 1846810823 LFHAONQEXPSKFO-ZHACJKMWSA-N 439.899 4.087 5 20 IIBD C[C@@H](OC(=O)CCc1ncc(-c2ccccc2F)o1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 21803604 CILJBGFGIKZJKD-GFCCVEGCSA-N 445.378 4.031 5 20 IIBD Cc1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cccc1C(=O)N1CCc2sccc2C1 26405945 PUDDALIOGQZLCS-UHFFFAOYSA-N 435.505 4.344 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)Cc1csc(-c2ccccc2Cl)n1 26674476 SYTALVOLAZWZOP-UHFFFAOYSA-N 445.884 4.405 5 20 IIBD C[C@@H](c1nnc(Sc2nc3sccn3c2[N+](=O)[O-])n1-c1ccc(Cl)cc1)N(C)C 29001749 CXEWWADVVHTKJH-JTQLQIEISA-N 449.949 4.312 5 20 IIBD COc1ccc(-c2csc(NC(=O)c3cc(OC)c(OC)cc3[N+](=O)[O-])n2)cc1OC 36726780 OFPLHCJZHVPQTA-UHFFFAOYSA-N 445.453 4.005 5 20 IIBD COc1cc(CCNC(=O)[C@H](C)Oc2cccc(Cl)c2Cl)c([N+](=O)[O-])cc1OC 46747094 ZSHZGGGPBMQSNV-NSHDSACASA-N 443.283 4.045 5 20 IIBD CCOCCOc1c(Cl)cccc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 62918411 DRVVMCWPZVZQHW-UHFFFAOYSA-N 430.848 4.102 5 20 IIBD CN(C)CCN(CCCc1ccccc1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 65323509 QHETUGKMAJCLAX-UHFFFAOYSA-N 438.553 4.355 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC(c2nc3ccccc3s2)CC1 107513187 XMXRMYLENOLHJH-UHFFFAOYSA-N 433.493 4.410 5 20 IIBD CCCCN1CCC(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 109359582 CVSPTRSUFMGYHI-QGZVFWFLSA-N 425.533 4.157 5 20 IIBD CCOc1cc(Br)c(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)cc1OCC 195631340 CNAJOHGJYGTWFB-UHFFFAOYSA-N 449.261 4.283 5 20 IIBD Cc1cn2c(CN(C)C(=O)c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(C)nc2s1 217126451 XXUOOQFWKKSEBL-UHFFFAOYSA-N 441.557 4.429 5 20 IIBD NS(=O)(=O)c1ccc(Sc2nc3cc(C(F)(F)F)ccc3s2)c([N+](=O)[O-])c1 301111256 YKIJRFIYWHHYID-UHFFFAOYSA-N 435.430 4.022 5 20 IIBD O=C1CCCN1C[C@H](Nc1nc2sccn2c1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 301425189 OUFWOTVQFHGAEF-ZDUSSCGKSA-N 439.419 4.098 5 20 IIBD Cc1nc(-c2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)cc2)cs1 303551405 ZYDOCZXQAQJHHJ-MRXNPFEDSA-N 442.522 4.332 5 20 IIBD O=C(Nc1ccc(Cl)c(N2CCNC2=O)c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 410198450 JXNACQKKGOJVNF-UHFFFAOYSA-N 432.867 4.117 5 20 IIBD COc1cccc(Cc2nnc(NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)s2)c1 410301160 ROHPKACUERCDCI-LBPRGKRZSA-N 430.511 4.165 5 20 IIBD C[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1noc(Cc2ccccc2)n1 426034435 FUXAUQRZDRMHLJ-LBPRGKRZSA-N 449.389 4.148 5 20 IIBD O=C(O)[C@H](CN1CCCCC1)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 426746824 KWRBUPKTXQZCNH-KRWDZBQOSA-N 433.892 4.069 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCC(c1ccccc1)c1ccccc1 427682924 PFGWKTOOTXSTEP-UHFFFAOYSA-N 427.460 4.470 5 20 IIBD CC(C)(NC(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1)c1ccc([N+](=O)[O-])cc1 430528506 YLNWWRBHQPPJMB-UHFFFAOYSA-N 425.466 4.041 5 20 IIBD Cc1cc(OCC(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)ccc1[N+](=O)[O-] 430781803 FOVIAHXHUWVYDI-FQEVSTJZSA-N 425.872 4.431 5 20 IIBD CCCN(CC(F)F)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435501545 MEUYTZJQOBUCBO-UHFFFAOYSA-N 429.470 4.250 5 20 IIBD CN(C)C(=O)c1ccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1Cl 436159163 ZZUNRIPBMSAUAP-UHFFFAOYSA-N 437.858 4.428 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H](C)c2ccc(Br)cc2)cc1[N+](=O)[O-] 436224363 QBIUKJDBGRGITH-LBPRGKRZSA-N 439.331 4.477 5 20 IIBD C[C@H](NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc(C(C)(C)C)no1 437135464 RWAJJZPLVMLUGB-VIFPVBQESA-N 432.424 4.264 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N(CCc1ccccn1)Cc1ccncc1 438095712 NEDMEINUEMAMHC-UHFFFAOYSA-N 445.504 4.393 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)Nc2ccnn2[C@@H](C)CC(C)C)cc1[N+](=O)[O-] 438789109 AEPFGKIKEHOROX-NSHDSACASA-N 445.339 4.270 5 20 IIBD O=C(NCCOc1ccc2c(c1)OCO2)c1ccccc1Sc1ccccc1[N+](=O)[O-] 440687784 YGFODZMOOOBJOS-UHFFFAOYSA-N 438.461 4.284 5 20 IIBD O=C(Nc1cc(-n2cnnn2)ccc1F)c1ccccc1Sc1ccccc1[N+](=O)[O-] 440689032 HJBBHWOROGBKDP-UHFFFAOYSA-N 436.428 4.113 5 20 IIBD CCc1[nH]nc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)c1[N+](=O)[O-] 444265752 RIUCFOMFVHLKMW-UHFFFAOYSA-N 439.325 4.478 5 20 IIBD O=C(NCc1ccc(OCC(F)(F)F)cc1)c1sc(Br)cc1[N+](=O)[O-] 444830516 WOEHDTRUHPHMIU-UHFFFAOYSA-N 439.209 4.290 5 20 IIBD Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)c12 446441299 VNNAZDWAFITSON-UHFFFAOYSA-N 433.512 4.479 5 20 IIBD CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 446653176 LNLAVUNMDVHQFU-UHFFFAOYSA-N 427.427 4.095 5 20 IIBD C[C@H](CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)Oc1cccc(F)c1 460508294 OSWOYIAJAZFLRV-HZPDHXFCSA-N 438.459 4.499 5 20 IIBD COC(=O)C1(c2ccccc2)CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 462492059 FTAVZSLFIHUTBG-UHFFFAOYSA-N 447.491 4.280 5 20 IIBD COc1ccc(C(=O)NCC(=O)N(Cc2ccccc2)[C@H](C)c2ccccc2)cc1[N+](=O)[O-] 462637226 JSBXJXKYKSRHKN-GOSISDBHSA-N 447.491 4.123 5 20 IIBD CN(CC(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)c1ccccc1[N+](=O)[O-] 463374651 IWTVUPJRYVQZAL-UHFFFAOYSA-N 428.464 4.328 5 20 IIBD NC(=O)[C@H](NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])c1ccccc1 464565544 BZYJFEHWVNHVHM-GOSISDBHSA-N 441.896 4.356 5 20 IIBD O=C(NC1CC1)[C@@H]1CCCN1C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 464566923 NZQLRFCKCWTRBO-KRWDZBQOSA-N 445.928 4.283 5 20 IIBD CCN(C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H](Cc1ccc(F)cc1)C(C)C 465164487 KYBHXIGVJSORMQ-IBGZPJMESA-N 430.476 4.163 5 20 IIBD O=C(NCCOc1ccc2ccccc2c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465619244 PFVMTWIBMHTZBU-UHFFFAOYSA-N 435.480 4.380 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1c(F)cccc1Cl)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465980299 JUZJIOZPJAZVQD-VQIMIIECSA-N 433.867 4.496 5 20 IIBD O=C(NCc1ccc(-c2ccncc2)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465982726 AXHLZVCLUZHCCW-UHFFFAOYSA-N 432.480 4.410 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 466510866 WGZSDCUSKRIVCH-LJQANCHMSA-N 433.873 4.214 5 20 IIBD CCN(CC)[C@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1ccccc1Cl 468331909 XVCCJQVWWAHVRN-GOSISDBHSA-N 425.938 4.147 5 20 IIBD COc1cc(S(=O)(=O)Nc2ccccc2CN(C)C2CCCCC2)ccc1[N+](=O)[O-] 468959754 NHZIRJYKHDIHRH-UHFFFAOYSA-N 433.530 4.169 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCCC[C@@H]1/C=C\c1ccccc1 469363916 QGUWBRFAXLWDGA-YUIUBULTSA-N 444.509 4.028 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)c([N+](=O)[O-])cc1OC 471545496 GEGLSRNGKNAHIA-UHFFFAOYSA-N 441.415 4.368 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NC1CCN(Cc2ccc(Cl)cc2)CC1 472025474 OFLVBNKLHLYBNJ-UHFFFAOYSA-N 444.963 4.157 5 20 IIBD COc1cc(C(=O)N2CC[C@H]2Cc2ccccc2)c([N+](=O)[O-])cc1OCc1cscn1 472181181 QWPWIWADAXIFJU-KRWDZBQOSA-N 439.493 4.096 5 20 IIBD COc1cccc([C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)c2cc(F)ccc2OC)c1 472958519 YZQHDEXBCARJJU-QFIPXVFZSA-N 439.443 4.340 5 20 IIBD COc1cc(NCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])cc(-n2cccn2)c1 475356177 XHZMUOCCVZVFLX-UHFFFAOYSA-N 434.399 4.054 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O 478919045 HZDDNYRWQDYPRZ-HNNXBMFYSA-N 435.402 4.074 5 20 IIBD O=C(Nc1cccc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1)c1ccccc1 480541946 QZEKQBBUKXCOTO-UHFFFAOYSA-N 427.420 4.285 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1NCCCc1ccccc1 480814762 DXRRTELXLGJUFX-GOSISDBHSA-N 446.507 4.397 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)c1C 480976396 DXYAOBGKFQEPPO-SFHVURJKSA-N 442.497 4.178 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(Oc3ccncc3)c2)cc1OC 482879261 LCQQLDIWHGWOMG-UHFFFAOYSA-N 439.424 4.068 5 20 IIBD CC(C)n1cc2c(n1)C[C@H](NC(=O)c1cc(OCc3ccccc3)ccc1[N+](=O)[O-])CC2 485717768 HPFJPLPREBMCGU-LJQANCHMSA-N 434.496 4.239 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccnc(OC2CCCCC2)c1 486245311 NTKIPLROWSECNJ-UHFFFAOYSA-N 445.541 4.370 5 20 IIBD O=C(N[C@H]1CSc2ccc(Br)cc21)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 487695819 XSSMBHMFGOLNBZ-INIZCTEOSA-N 445.298 4.120 5 20 IIBD COC(=O)[C@H]1CC12CCN(C(=O)c1ccc(Sc3ccc([N+](=O)[O-])cc3)cc1)CC2 487708782 NIJCBAPWBTVNHF-LJQANCHMSA-N 426.494 4.161 5 20 IIBD O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCC(O[C@@H]2CCOC2)CC1 488161022 KYZKHFJJPSJGJN-LJQANCHMSA-N 428.510 4.156 5 20 IIBD CCn1c(S[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nc2ccsc2c1=O 490379527 XREGBLWMQJQABY-JTQLQIEISA-N 429.483 4.289 5 20 IIBD O=C(Cc1csc(Cc2cccc(Cl)c2)n1)NCCNc1ccc([N+](=O)[O-])cc1 492898587 YXHLLHNCCGDHJR-UHFFFAOYSA-N 430.917 4.066 5 20 IIBD COc1ccccc1-c1noc([C@H](C)NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 494457556 QEHQTXONCRINOZ-AWEZNQCLSA-N 437.456 4.089 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)Nc1c(Br)cc(F)cc1Br 495056549 PQNZQXFLKROHHN-UHFFFAOYSA-N 448.042 4.276 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1 499286418 HDTHIRJADZJOEC-UHFFFAOYSA-N 434.235 4.494 5 20 IIBD COc1cc(C(=O)N2CC=C(c3ccccc3)C2)c([N+](=O)[O-])cc1OCc1cscn1 501591751 CCXONVAFXQENJG-UHFFFAOYSA-N 437.477 4.178 5 20 IIBD COc1cc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OC 501741873 KDWBUEMQUVLLMO-UHFFFAOYSA-N 435.230 4.051 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CC(=O)N(Cc1ccc(F)cc1)c1nc2ccccc2s1 501776342 YERKRTYOSWXQRU-UHFFFAOYSA-N 425.445 4.082 5 20 IIBD COc1ccc(Br)c(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c1 503470809 QGUUUFKNRVELFO-UHFFFAOYSA-N 447.188 4.228 5 20 IIBD CC[C@@H](C)n1c(SCC(=O)NCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1 504045047 QKTZHWUIELYDAN-OAHLLOKOSA-N 425.514 4.233 5 20 IIBD CCCC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(N2CCCC2)c1 505536024 LBWLANPUDRBCHY-QFIPXVFZSA-N 438.528 4.051 5 20 IIBD O=C(N[C@@H](Cn1ccccc1=O)c1ccccc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 506065026 SXCVEEDMFOWZSJ-DEOSSOPVSA-N 435.483 4.014 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(F)c(F)c1 509145580 BLMDUPNIJQRMHJ-UHFFFAOYSA-N 446.191 4.058 5 20 IIBD CC(C)(C(=O)NCc1noc(-c2cccc(Br)c2)n1)c1ccccc1[N+](=O)[O-] 509734505 JQBBAVVUESYRDA-UHFFFAOYSA-N 445.273 4.001 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 511138711 OULDVIPHLFKGEH-IBGZPJMESA-N 438.509 4.102 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 511767272 CDHYKVFMYOVGMV-LADGPHEKSA-N 433.483 4.061 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CSc2nnc3cc(C)nc(C)n23)cc1OC 514103955 HJVQGIKPCOWYLG-GFCCVEGCSA-N 431.518 4.375 5 20 IIBD CC[C@H]1CO[C@H](C)CN1C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 517303454 QDHXDFUBFWCDBM-XLIONFOSSA-N 434.496 4.016 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Oc2ccc(C)cc2OC)nc1 519202850 QYDPNBAMRJQHGO-UHFFFAOYSA-N 443.481 4.462 5 20 IIBD O=[N+]([O-])c1ccc(-n2ccc(-c3nc(-c4ccc(OCc5cccnc5)cc4)no3)n2)cc1 521909373 QFZQVSQOPDRGSY-UHFFFAOYSA-N 440.419 4.472 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@H]1C[C@H]1c1c(F)cccc1F 522525428 KKDHSIFSVJUZRL-ABAIWWIYSA-N 429.345 4.366 5 20 IIBD O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 523405379 AVRXWWGFYOJBSS-LJQANCHMSA-N 442.490 4.415 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1[N+](=O)[O-] 530756653 ZCFJLBWFADFSCF-MRXNPFEDSA-N 436.512 4.231 5 20 IIBD CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(CC)c([N+](=O)[O-])c1 531537138 SISZQHKVDMSNLY-UHFFFAOYSA-N 443.500 4.044 5 20 IIBD COc1ccc(C(=O)N[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)cc1[N+](=O)[O-] 532923899 DRGJPCVGWBTMRQ-LJQANCHMSA-N 448.401 4.439 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccc2nc(C(F)F)[nH]c2c1 533965664 BCWUNRAWEWMTRV-UHFFFAOYSA-N 425.189 4.352 5 20 IIBD CC(C)c1ccc2c(c1)[C@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])CCC2 535699425 PLVGVTFIFVISKU-GOSISDBHSA-N 429.904 4.295 5 20 IIBD C[C@H](SCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)Nc1ccc2c(c1)OCCO2 536302761 QBUUXEWNGCDALS-ZDUSSCGKSA-N 441.465 4.281 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@H]1c1ccccc1 536473407 VLCNNJQMGUHLKN-HKUYNNGSSA-N 428.510 4.316 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)[C@H](C)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 536897667 WJCLEIWSYVCCOI-JEOXALJRSA-N 434.290 4.430 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCc2nc(-c3ccccc3)c(C)s2)c1 540625847 MUDXFDAZDJJPKT-UHFFFAOYSA-N 425.510 4.463 5 20 IIBD CC[C@H](CSc1ccccc1[N+](=O)[O-])Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 540825041 UTBRSIWOAIGEHP-OAHLLOKOSA-N 446.554 4.167 5 20 IIBD Cc1nc(-c2ccccc2Br)sc1[C@H](C)NCc1c([N+](=O)[O-])ncn1C 541640711 IGKDDYOPDHOAOT-JTQLQIEISA-N 436.335 4.374 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1Oc1ccc(C)nn1 542523440 VVMFKJIMTHCQEA-ZDUSSCGKSA-N 426.404 4.375 5 20 IIBD C[C@@H](Cc1cc(Br)ccc1F)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F 542527656 ZGBYEBMUBRKWRH-QWRGUYRKSA-N 427.245 4.486 5 20 IIBD COC(=O)[C@@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)cc1Cl 542533288 LLKHZRDJOWBLNF-FVMDXXJSSA-N 429.231 4.175 5 20 IIBD COc1ccc(OCCOc2cc(F)c(Br)cc2C(C)=O)c([N+](=O)[O-])c1 542922682 KDFMBBZLYFVINV-UHFFFAOYSA-N 428.210 4.165 5 20 IIBD CCN(CC)C(=O)CCC1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 542943974 VMDNKSPZTLQIQH-UHFFFAOYSA-N 442.463 4.089 5 20 IIBD Cc1cc(Br)cn2cc(CNc3ccc(C(=O)NC(C)C)cc3[N+](=O)[O-])nc12 544704329 VAMMFEAKUKZTIO-UHFFFAOYSA-N 446.305 4.064 5 20 IIBD Cc1cc(NC(=O)N2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn34)C2)ccc1[N+](=O)[O-] 546036673 DIIYUSBYRYBKRJ-CYBMUJFWSA-N 448.405 4.376 5 20 IIBD Cc1nn(Cc2ccc(-c3nc(Cc4c(F)cccc4F)no3)cc2)c(C)c1[N+](=O)[O-] 547019728 HHAKESGQNXFDBW-UHFFFAOYSA-N 425.395 4.375 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccnc(OCC(F)F)c2)no1 547258882 UZLIFRZNQBJADZ-SECBINFHSA-N 426.763 4.477 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(-c3nc(-c4ccc(OCC(F)F)nc4)no3)cs2)c1 547261770 DEYYXJFQZKRQHO-UHFFFAOYSA-N 431.380 4.474 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 552530401 FJNVCNNSTRRANZ-STQMWFEESA-N 442.463 4.234 5 20 IIBD COCc1nc(CNC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])c(-c2ccccc2)s1 552591381 WUDUORONSOMPSC-UHFFFAOYSA-N 441.509 4.258 5 20 IIBD Cc1ccccc1-n1ncc(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])c1C(F)(F)F 553086828 NNGHMEOXCCZLQH-UHFFFAOYSA-N 432.402 4.422 5 20 IIBD O=C(N[C@@H](c1ccc(Cl)cc1)C1CCC1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 553549842 DZWUVKKOWURXTL-OAQYLSRUSA-N 441.915 4.397 5 20 IIBD CC(=O)N(Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1)C1CC1 559579956 FHARFBGMOUJKDQ-UHFFFAOYSA-N 446.301 4.429 5 20 IIBD O=C(Nc1c(O)cc(Br)cc1Cl)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 560503796 GJNXASWIKWZEKU-UHFFFAOYSA-N 437.637 4.154 5 20 IIBD C[C@@H](NC1C[C@@H]2CC[C@H](C1)N2CC(=O)N(C)C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 560582976 MHAAZCVTBNHLEW-CSNJMZFVSA-N 442.585 4.058 5 20 IIBD Cc1cccn2cc(COc3ccccc3C(=O)N(C)CCc3ccccc3[N+](=O)[O-])nc12 560995072 NDKPHAKIILEKSD-UHFFFAOYSA-N 444.491 4.445 5 20 IIBD Cn1c(COc2ccc(Cl)cc2)nnc1Sc1ncnc2sc([N+](=O)[O-])cc12 561101518 XWAAYOQYLPYDPU-UHFFFAOYSA-N 434.890 4.112 5 20 IIBD O=C(Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)Nc1ccnn1Cc1ccccc1Cl 561105651 BLVPAQKMFYWSFV-UHFFFAOYSA-N 445.266 4.135 5 20 IIBD COc1ccc2c(-c3ccccc3)cc(Sc3nccc(C(N)=O)c3[N+](=O)[O-])nc2c1 565139916 QHQPIWFSSVWEJW-UHFFFAOYSA-N 432.461 4.464 5 20 IIBD O=[N+]([O-])c1ccc(OC(F)F)c(NS(=O)(=O)c2c(F)cccc2OC(F)(F)F)c1 565679037 VROPBZMEAJPWEW-UHFFFAOYSA-N 446.281 4.035 5 20 IIBD Cc1cccc2cc(C(=O)N3CCCN(c4nc5ccc([N+](=O)[O-])cc5[nH]4)CC3)sc12 565684716 RWQYGPLEUXJZMP-UHFFFAOYSA-N 435.509 4.347 5 20 IIBD CC(C)(CNC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)Cc1cccc(Cl)c1 568674491 UEGIBPCYWSVTOA-UHFFFAOYSA-N 443.931 4.124 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@@H](CO)c2ccc(F)cc2)cc1 570537554 KCVMXNPAXQBYSY-QHCPKHFHSA-N 432.455 4.410 5 20 IIBD CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 577916973 IUDSCDXTVMXDFM-IOMROCGXSA-N 445.585 4.254 5 20 IIBD CCOc1cc(N2CCN(Cc3ncc(-c4ccc(F)cc4)o3)CC2)ccc1[N+](=O)[O-] 580808933 MTYDWOQKVMKRKH-UHFFFAOYSA-N 426.448 4.110 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccc(-c2ccccc2)cc1F 582561530 RKZSITDIANMPMX-UHFFFAOYSA-N 437.427 4.055 5 20 IIBD C[C@@H](Nc1nc(O)c2cc([N+](=O)[O-])ccc2n1)c1cccc(NC(=O)c2ccccc2)c1 582837286 QFPDXBWLCMFAEC-CQSZACIVSA-N 429.436 4.669 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(N2C(=O)CCC2=O)c1 588094803 XASXLHZWABVDTG-UHFFFAOYSA-N 431.445 4.140 5 20 IIBD C[C@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1ccc(Oc2cccnc2)cc1 588901634 SCCXXYXHUNLUFH-INIZCTEOSA-N 427.482 4.005 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2c2nc(-c3cccc(C(F)(F)F)n3)no2)ccc1[N+](=O)[O-] 589129241 ULCJXGJQCPVLJQ-HNNXBMFYSA-N 447.373 4.344 5 20 IIBD Cc1cccc(OCc2nnc(SCCC(=O)Nc3ccc([N+](=O)[O-])cc3C)o2)c1 602037913 IEFUXKWPKZXHMD-UHFFFAOYSA-N 428.470 4.295 5 20 IIBD C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cc2c(cc1Br)OCCO2 603939855 LYZCTZWKQZJVOC-VIFPVBQESA-N 441.665 4.273 5 20 IIBD Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)CCOc1ccccc1[N+](=O)[O-] 603977254 ZFRFIKPRKOFDLU-IAGOWNOFSA-N 439.512 4.429 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CCC[C@@H]3Cc3ccc(F)cc3)cc2)c(C)c1[N+](=O)[O-] 604024360 HWDNOBGNMWQLJW-JOCHJYFZSA-N 436.487 4.443 5 20 IIBD O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCc1cccc([N+](=O)[O-])c1 604470635 KDIMYUYZIIKMSJ-NRFANRHFSA-N 437.883 4.426 5 20 IIBD COc1ccc(CC[C@@H]2CCCCN2C(=O)NCc2cccc([N+](=O)[O-])c2)cc1OC 608922678 YHXZOXGXQJHUKP-IBGZPJMESA-N 427.501 4.309 5 20 IIBD CCOc1ccc(Oc2cc(CNC(=O)Cc3ccc(OC)c([N+](=O)[O-])c3)ccn2)cc1 609010925 LCTAIJHYKGGJDM-UHFFFAOYSA-N 437.452 4.048 5 20 IIBD Cc1cccc(COc2ccc([C@H](C)NC(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)c1 609053248 IRZFDWJZVNJDFM-KRWDZBQOSA-N 433.464 4.298 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1cccc(Cl)c1SCC(F)F 609909031 UYWBCFBEYVSPNE-UHFFFAOYSA-N 443.815 4.152 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](Cc1ccccc1)c1sccc1C 609917377 PISUGBLLJOJPQJ-QGZVFWFLSA-N 432.523 4.236 5 20 IIBD C[C@@H]1C[C@H](c2ccc(F)cc2)CN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 609917482 KXAFVLIWOITRRC-YPMHNXCESA-N 443.294 4.063 5 20 IIBD COc1ccc([C@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)N2CCCCC2)cc1 610036571 XUMKBCSQBLUCQT-QFIPXVFZSA-N 425.529 4.224 5 20 IIBD Cc1ccccc1CN1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 610060321 SFQJLCQJDHKTEW-UHFFFAOYSA-N 432.318 4.014 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCCc1nc(-c2cccc(Cl)c2)no1 610100841 SZBNHLBULSLSQS-UHFFFAOYSA-N 443.891 4.163 5 20 IIBD CN(C)c1nc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cs1 610468045 PXKITDMWNYGNMD-UHFFFAOYSA-N 437.319 4.430 5 20 IIBD O=C(NCC1CC1)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 611200828 VWTFRIHUUIYGTP-MRXNPFEDSA-N 431.558 4.008 5 20 IIBD COc1cccc(NC(=O)[C@H](OC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])c2ccccc2)c1 725936395 AUHVIURGZSLGFA-HXUWFJFHSA-N 442.374 4.418 5 20 IIBD O=C(OCc1ccccc1)c1cccc(CNC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])c1 727713189 YBVYQIQGNBAREC-UHFFFAOYSA-N 426.375 4.160 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCC[C@H](C4OCCO4)C3)cc2[N+](=O)[O-])cc1 728077206 PVZQANWOWKOTSV-KRWDZBQOSA-N 428.510 4.280 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 730612018 KTVBZVCKTLWYNB-KGLIPLIRSA-N 439.251 4.196 5 20 IIBD COc1cc(CCNC(=O)Nc2ccc(N3CCCC3)c(Cl)c2)c([N+](=O)[O-])cc1OC 730904661 OLXFECURTXMGSF-UHFFFAOYSA-N 448.907 4.230 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl 730957889 HNIQAJHOZDRRCM-UHFFFAOYSA-N 428.182 4.369 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])OCCCOc1cccc2ccccc12 731101604 XDYZJCXQLNQYGA-UHFFFAOYSA-N 442.855 4.144 5 20 IIBD O=C1[C@@H](Nc2ccc(OCc3ccccn3)c(Cl)c2)CCN1c1cccc([N+](=O)[O-])c1 731496286 IJDMOYHAJODJRC-FQEVSTJZSA-N 438.871 4.440 5 20 IIBD COc1ccc2cc(/C=C/C(=O)O[C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)ccc2c1 731508747 RLGRLCBXRDCAFT-FLVSMNSFSA-N 432.432 4.119 5 20 IIBD COc1cc(F)c([C@@H](C)NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1OC 733939965 SMPZARLMZVMVNM-SECBINFHSA-N 427.226 4.005 5 20 IIBD O=C(COC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc2ccccc2c1 735150248 NOPPBIMDBFIOKR-UHFFFAOYSA-N 428.828 4.352 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)c1coc(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 737805135 BALINCGSEQZGLP-LJQANCHMSA-N 449.463 4.492 5 20 IIBD C[C@H]1CCN(C(=O)COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c2ccccc2S1 740386677 DBKHBNCBQYJASI-HNNXBMFYSA-N 428.510 4.333 5 20 IIBD CC(C)CNC(=O)c1cccc(COC(=O)c2ccc([N+](=O)[O-])cc2Br)c1 740423013 VZVQHQSLUQEAPZ-UHFFFAOYSA-N 435.274 4.100 5 20 IIBD CN(C[C@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OC(C)(C)C 742883076 APGCTGCNUHYNJO-MRXNPFEDSA-N 446.529 4.190 5 20 IIBD CC(C)(C)c1ncc(/C=C/C(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)s1 744089749 ZZLIOUSFZGIFGS-VOTSOKGWSA-N 430.530 4.217 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCc1nc(-c2ccc(F)cc2)n[nH]1 745972129 SQTXKFYLLDZEOX-UHFFFAOYSA-N 426.286 4.058 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1C[C@@H]1c1cccc(Br)c1 747519531 FMFMRNLZEOMWFB-CVEARBPZSA-N 444.241 4.254 5 20 IIBD O=C(Nc1ccc(Cl)cc1)N1CCCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 749930742 MXJKGPQHPFOKHN-UHFFFAOYSA-N 437.283 4.282 5 20 IIBD O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1ccc(Br)cc1[N+](=O)[O-] 750818543 DJTCTRLFKJKSFX-UHFFFAOYSA-N 438.665 4.390 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 751262295 CJROEUZEQDDICS-UHFFFAOYSA-N 447.904 4.034 5 20 IIBD CC(C)(C)OC(=O)N1CCc2c(NC(=O)NCCNc3ccc([N+](=O)[O-])cc3)cccc21 753900567 BSJMWJKJRGFMEO-UHFFFAOYSA-N 441.488 4.126 5 20 IIBD COc1ccc(NC(=O)C2(NCc3cc([N+](=O)[O-])ccc3Cl)CCCC2)cc1OC 754667594 BVEKEJQVQUWWDJ-UHFFFAOYSA-N 433.892 4.307 5 20 IIBD Cc1c(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cccc1-c1ccccn1 755024476 LIDBABAEUHMXPQ-UHFFFAOYSA-N 425.828 4.414 5 20 IIBD CC[C@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[C@@H](O)c1c(F)cccc1F 755035484 LCYNHEOORPHNBR-XJKSGUPXSA-N 444.232 4.269 5 20 IIBD CCOC(=O)N1[C@@H](C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC[C@@H]1c1ccc(C)o1 756988917 LSCFBWGXNBJOCK-IAGOWNOFSA-N 435.864 4.128 5 20 IIBD CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C2 756993916 LPILIBLJNHMGBX-HOTGVXAUSA-N 437.924 4.433 5 20 IIBD CC(C)CC(=O)Nc1ccc(C(=O)O[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1F 759948437 YSYRRLMLTKBMFH-ZWKOTPCHSA-N 432.452 4.256 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)OCc2cnc(Cl)s2)cc1[N+](=O)[O-] 760453772 DQNOPLJROVXMIS-UHFFFAOYSA-N 445.884 4.359 5 20 IIBD CCOc1cc(C(=O)OCC(=O)c2cc(C)c(F)cc2Cl)c([N+](=O)[O-])cc1OC 761028344 ZPAGWVALCLMSAD-UHFFFAOYSA-N 425.796 4.143 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1cccc([C@H]2CCOC2)c1 761488632 QIVNOTKVLQPMNS-IBGZPJMESA-N 436.468 4.200 5 20 IIBD O=[N+]([O-])c1ccc(Oc2ccc(-c3noc(CSc4nnnn4C4CC4)n3)cc2)cc1 761860451 YUGAIBNNLSIEEL-UHFFFAOYSA-N 437.441 4.051 5 20 IIBD COc1ccc(-c2nnc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)s2)cc1 762643464 LXLFVFIFOWJOKV-UHFFFAOYSA-N 439.497 4.365 5 20 IIBD COc1cc(OCC(=O)Nc2ccc(CC[C@@H](O)c3ccccc3)cc2)ccc1[N+](=O)[O-] 763015547 RERIZGVBCVAYIQ-JOCHJYFZSA-N 436.464 4.287 5 20 IIBD Cc1cccc(F)c1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 764684261 VNFKXLDGZCPLBA-UHFFFAOYSA-N 426.370 4.415 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCc2ccc(Oc3ccccc3)nn2)cc1SC 766098307 CYRKCFVSYXKJBX-UHFFFAOYSA-N 427.438 4.265 5 20 IIBD CCOc1cc(CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)ccc1O[C@@H](C)C(=O)N(C)C 768214975 KRTFIBHJAZGVAJ-HNNXBMFYSA-N 449.935 4.134 5 20 IIBD CN(Cc1c(Br)cccc1[N+](=O)[O-])[C@H](c1cccc(F)c1)c1cnn(C)c1 769231738 DEZBDDLCBPACSD-LJQANCHMSA-N 433.281 4.451 5 20 IIBD Cn1c(COC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)nnc1-c1ccccc1 771310856 KZVLXCLLYQEXQG-UHFFFAOYSA-N 443.463 4.359 5 20 IIBD O=C(CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)NCc1nnnn1CC1CC1 771556211 IKNXDVJCIVLZPZ-UHFFFAOYSA-N 437.503 4.260 5 20 IIBD O=C(Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1Cl 772220968 PIEJPOWAJVRLIG-KRWDZBQOSA-N 425.876 4.144 5 20 IIBD O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2)nc1O 773400985 HVTBOMMAKYNHTB-UHFFFAOYSA-N 429.226 4.482 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 774044717 CADYIISUNMNQPS-UHFFFAOYSA-N 432.521 4.467 5 20 IIBD Cc1cc(COC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)ns1 774791165 WUVVGPHOMJUAMB-UHFFFAOYSA-N 434.477 4.498 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 775528763 KJTSIXGVCSAZJE-HNNXBMFYSA-N 437.562 4.472 5 20 IIBD CC(C)Cn1c(SC[C@H](O)c2ccc([N+](=O)[O-])cc2)nc2ccc(Cl)cc2c1=O 776271321 KLDUBLMHANQSGI-SFHVURJKSA-N 433.917 4.440 5 20 IIBD CC1(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCN(C(=O)OC(C)(C)C)CC1 778083123 OCMQKWKJJOPKDG-UHFFFAOYSA-N 431.411 4.133 5 20 IIBD COc1cc(CNc2ccc(-n3cncn3)c(Cl)c2)c([N+](=O)[O-])cc1OCC(F)F 779043692 RAMXMCOBSPOJAT-UHFFFAOYSA-N 439.806 4.094 5 20 IIBD Cc1cc(C)c(NC(=O)COc2cc([N+](=O)[O-])ccc2I)c(C)c1 780346164 PDAQPAKBLMTDTD-UHFFFAOYSA-N 440.237 4.142 5 20 IIBD CN(Cc1ccn(-c2ccccc2)n1)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 780406322 WFWLSKZIALOXDW-UHFFFAOYSA-N 444.441 4.417 5 20 IIBD O=C(COC(=O)c1cccc([N+](=O)[O-])c1Br)Nc1ccc(C(F)(F)F)cc1 781675576 VIFNNMINSNLBAZ-UHFFFAOYSA-N 447.163 4.172 5 20 IIBD O=C(Nc1ccc(OC(=O)[C@H](O)C2CCCCC2)cc1)c1cc([N+](=O)[O-])ccc1Cl 783527490 YWWNKQGHXIALLR-LJQANCHMSA-N 432.860 4.347 5 20 IIBD COc1cc(N2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)c(F)cc1[N+](=O)[O-] 784403544 VITYGQHXZYSDRV-UHFFFAOYSA-N 430.354 4.129 5 20 IIBD O=[N+]([O-])c1cccc(F)c1OS(=O)(=O)c1cc(Cl)c(Br)cc1F 788077515 WPQKYYUHVQLNHY-UHFFFAOYSA-N 428.594 4.057 5 20 IIBD O=[N+]([O-])c1ccc(CSc2nc(-c3ccc(Br)cc3)n[nH]2)c([N+](=O)[O-])c1 789756072 HJZHXQZRMAQMCM-UHFFFAOYSA-N 436.247 4.343 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])OCc1cccc(C(=O)N2CCCCC2)c1 790743226 VFPVJDLVZUFJPS-UHFFFAOYSA-N 434.851 4.299 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)c1cccc(OCc2ccccn2)c1 791206400 WKPZGIXYNSUHNS-OAHLLOKOSA-N 438.459 4.265 5 20 IIBD C[C@@H](O)[C@@](C)(CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)Cc1ccccc1 792345371 PSPBRLOJRCKDKA-BFUOFWGJSA-N 436.306 4.109 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)O[C@@H](C)c1nc(O)c2ccccc2n1 792472510 LDTJOTRSNSCKCU-JTQLQIEISA-N 432.230 4.233 5 20 IIBD COc1c(C(=O)O[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-] 796310764 GIVJCCHVMDZYHX-GHMZBOCLSA-N 441.267 4.333 5 20 IIBD C[C@H](CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C 799731828 ZKHWVWNMPZYUAA-CQSZACIVSA-N 431.514 4.389 5 20 IIBD COc1ccc(CCS(=O)(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)cc1 800785436 QRUUFQOIGBMFHN-UHFFFAOYSA-N 433.511 4.020 5 20 IIBD Cc1cc(NCc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)c(Cl)cc1[N+](=O)[O-] 804700072 NJCSTRJVMYYQIX-OAQYLSRUSA-N 428.876 4.394 5 20 IIBD C[C@]1(C2CC2)NC(=O)N(c2ccc(CNc3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2)C1=O 804701469 SHLWHKVYOUBBMG-HXUWFJFHSA-N 448.401 4.451 5 20 IIBD O=[N+]([O-])c1ccc(N2CCOCC2)c(-c2nc(Cc3c(Cl)cccc3Cl)no2)c1 809245195 GTTUUFSHYPGNSR-UHFFFAOYSA-N 435.267 4.379 5 20 IIBD CN(Cc1nc([C@H]2CCOc3ccccc32)no1)c1cc(Br)ccc1[N+](=O)[O-] 809406242 UTCAAYGWAWMWEY-AWEZNQCLSA-N 445.273 4.291 5 20 IIBD C[C@H](OC(=O)[C@H]1CCCCCC(=O)C1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 811382695 OVKHMWGKUOPYOX-ZFWWWQNUSA-N 445.497 4.128 5 20 IIBD O=C(C[C@@H]1CCCCCN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccco1 815033919 XLCAHLDPYSYRBN-LBPRGKRZSA-N 444.868 4.187 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cc(Cl)c(F)cc1Cl 815503935 FNSCMYZGACYZDZ-MRVPVSSYSA-N 431.203 4.233 5 20 IIBD CCOC(=O)[C@H](F)C1CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 817673079 AITMCQXBIZTKGY-GOSISDBHSA-N 436.823 4.014 5 20 IIBD CCCCSCC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 914459253 PEHPTACUVTVVMZ-UHFFFAOYSA-N 437.543 4.176 5 20 IIBD O=C(OCc1cc(Cl)cc2cccnc12)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 914900517 TVQJPRXXCNMNFO-CYBMUJFWSA-N 443.818 4.032 5 20 IIBD O=C(COC(=O)c1cc(-c2cccnc2)nc2ccccc12)Nc1cc([N+](=O)[O-])ccc1F 916629362 HFANDRNZDMSNHM-UHFFFAOYSA-N 446.394 4.140 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1cn2cc(Br)ccc2n1 918876024 WQYLOSDANQBMQT-NSHDSACASA-N 436.287 4.229 5 20 IIBD C[C@@H](OC(=O)CCOc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1Cl 919491375 QVGHUCFSUXYWQD-LLVKDONJSA-N 427.240 4.241 5 20 IIBD Cc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)no1 920223372 CBHMEGMIGRLXQT-UHFFFAOYSA-N 434.496 4.280 5 20 IIBD CC(=O)CCc1ccc(OC[C@@H](O)CSc2nc3ccc([N+](=O)[O-])cc3s2)cc1 921231173 NCYZTQGANPYSJO-MRXNPFEDSA-N 432.523 4.258 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 1318665481 PTZUHZJHIRGFTI-CQSZACIVSA-N 448.932 4.105 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)n1 1321296677 DDJVRVJZCHCVSY-GOSISDBHSA-N 430.486 4.225 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1I)c1ccc(F)c(F)c1 1337700644 AEBNMWNYMZOTKL-MRVPVSSYSA-N 433.148 4.396 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCc1ccc(Br)cn1 1343291768 DYJDWRDDGGJXLX-UHFFFAOYSA-N 448.195 4.317 5 20 IIBD O=C(Cc1cc([N+](=O)[O-])ccc1F)Nc1ccc(C2(NC(=O)[C@H]3CC3(F)F)CCC2)cc1 1786671177 PKKGDXGJPAHAQZ-QGZVFWFLSA-N 447.413 4.066 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])c(C(=O)NC2(c3ccc(NC(=O)C(C)(C)C)cc3)CCC2)c1 1787703737 MMDGJMGIKKVCTH-UHFFFAOYSA-N 438.528 4.455 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1)c1ccc(Cl)cn1 1789732215 STBQEPAXGBRDFS-UHFFFAOYSA-N 440.843 4.298 5 20 IIBD Cc1cncc(C(=O)NC2(c3ccc(NC(=O)c4cc(F)cc([N+](=O)[O-])c4)cc3)CCC2)c1 1790696768 UWWZWAJSSXSILR-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(F)cc2)cc(Cl)cc1[N+](=O)[O-] 1799673616 BSVCFWZWQLARHY-BCDXTJNWSA-N 445.878 4.261 5 20 IIBD CC(C)[C@H]1CC[C@H](C(=O)N2CCC3(CCCN(C(=O)c4ccc([N+](=O)[O-])o4)C3)CC2)CC1 1804653689 IOWILGXLDMRALM-WGSAOQKQSA-N 445.560 4.495 5 20 IIBD C/C=C(\C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(F)ccc([N+](=O)[O-])c2C)n[nH]1 1821285303 AQKOFMSCHINXAB-XAANGBPESA-N 429.452 4.038 5 20 IIBD CC(C)/C=C/C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])[nH]n1 1823089911 XYNYOWUIUMACLA-QUGOLUTHSA-N 437.500 4.236 5 20 IIBD CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)CCCCC1 1831798757 XMJQXGALDDISLB-LJQANCHMSA-N 430.549 4.127 5 20 IIBD O=C(c1cccc(F)c1[N+](=O)[O-])N1CC2(CCCN2C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)C1 1843938922 LDJNYWRTKHQACO-RCCFBDPRSA-N 443.519 4.157 5 20 IIBD C[C@@H](Sc1nncn1CCc1cccs1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 11105641 OPUWAJGEJHSUAN-LLVKDONJSA-N 437.934 4.263 5 20 IIBD O=[N+]([O-])c1ccc(Sc2cc(Cl)ccc2Cl)c(S(=O)(=O)N2CCOCC2)c1 15165942 NBWPQBDAHJBWMN-UHFFFAOYSA-N 449.337 4.074 5 20 IIBD NC(=O)c1ccc(CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)c([N+](=O)[O-])c1 16768397 BYWBFZLTXAVRJN-UHFFFAOYSA-N 449.467 4.373 5 20 IIBD COCCN(C(=O)Cc1ccc(OC)c(F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 18083796 XNLFYAYDNRLOJI-UHFFFAOYSA-N 445.472 4.088 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)N[C@@H](c1ccc(C)cc1)c1cccs1 19285232 PGBAJLHWMCRVDM-NRFANRHFSA-N 440.477 4.036 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nnc1-c1ccccc1OC 20162974 HMVLFOMSANCKMV-GFCCVEGCSA-N 445.476 4.140 5 20 IIBD Cc1c(NC(=O)[C@H](C)Sc2nnc(NCc3ccccc3)s2)cccc1[N+](=O)[O-] 23290193 QXGYDMFMFQVFBD-ZDUSSCGKSA-N 429.527 4.486 5 20 IIBD Cc1c(Cl)cccc1-n1ccnc1SCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 26675971 AWIDHRHUPBOVDB-UHFFFAOYSA-N 446.872 4.202 5 20 IIBD CCOc1ccc(NC(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)c([N+](=O)[O-])c1 36783742 CTNOEKAWOXQAHQ-UHFFFAOYSA-N 439.497 4.182 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OCC(F)(F)F)cc1 63233799 XYSZLQIZWHCJDY-SNVBAGLBSA-N 445.781 4.005 5 20 IIBD Cc1c([C@@H](C)NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(F)cc1 64857253 QKMSVEMYSOHTGO-CQSZACIVSA-N 448.458 4.120 5 20 IIBD O=C(c1cc(N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)ccc1[N+](=O)[O-])N1CCCC1 301142210 GSINCKQZNARPHS-HXUWFJFHSA-N 433.867 4.201 5 20 IIBD COc1ccccc1[C@H]1CCCN1c1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl 301533650 KXXFBTSDMHIWKC-QGZVFWFLSA-N 426.860 4.144 5 20 IIBD O=C(NCCCOc1cccc2cccnc12)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 303383068 MBSCEGJEJNEFGI-UHFFFAOYSA-N 434.477 4.465 5 20 IIBD CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 409825994 YKSGXWSXZMZLQL-HUUCEWRRSA-N 436.555 4.137 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NCc1ccc(O)c(Br)c1 425953634 WXONXFUPYRXVOS-UHFFFAOYSA-N 448.195 4.081 5 20 IIBD O=C1CCCC[C@H]1[C@@H]1CCCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br 426892858 BMHCDJFJEQRJMN-WMZOPIPTSA-N 437.334 4.430 5 20 IIBD CCN(CC)C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 430835149 AQJFTMCHWDNTJW-FCHUYYIVSA-N 441.576 4.087 5 20 IIBD COc1ccccc1-c1noc(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)n1 432461603 QHCULQCQUYZTOJ-UHFFFAOYSA-N 442.859 4.327 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1CN1CCC(c2nc(-c3ccccc3OC)no2)CC1 433020086 BHJHRSJEXMZQHI-UHFFFAOYSA-N 438.484 4.432 5 20 IIBD Cc1c(NC(=O)N[C@H]2CCc3cn(C(C)C)nc3C2)cc(Br)cc1[N+](=O)[O-] 435330640 VBCFBZIEKICLCF-AWEZNQCLSA-N 436.310 4.122 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])c(C2CC2)n1)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 436210106 MRQQQDLMSFJEBZ-IBGZPJMESA-N 429.480 4.098 5 20 IIBD COc1ccccc1-c1csc(C2CCN(C(=O)c3cccc([N+](=O)[O-])c3O)CC2)n1 436609669 SBIOABNVSXQHPH-UHFFFAOYSA-N 439.493 4.452 5 20 IIBD COC(=O)c1ccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1Cl 438763027 YWYOMPUXKCBRTJ-UHFFFAOYSA-N 439.660 4.142 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1cccc(OC)c1)C[C@H]1CCCO1 439913758 MQUIPVANASTIES-LJQANCHMSA-N 429.473 4.215 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(OCc2cccc(C)c2)c1 440234288 BMKKATBEJQFXFU-UHFFFAOYSA-N 435.436 4.068 5 20 IIBD C[C@H](NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])C(=O)N1CCCC[C@H]1C 442716422 QVFSDIIGJPGQJI-CVEARBPZSA-N 427.526 4.265 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N(Cc1cccc(F)c1)C[C@H]1CCCO1 446019789 JIZJPSGUQILWMB-CYBMUJFWSA-N 443.294 4.379 5 20 IIBD O=C(CCC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1cc(Cl)sc1Cl 446311342 IVNLFENEQFDOPP-SNVBAGLBSA-N 443.312 4.034 5 20 IIBD Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 447651501 YKFCKYCXVCQLBH-UHFFFAOYSA-N 444.441 4.472 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3C[C@H](C)C(=O)Nc4ccccc43)cc2[N+](=O)[O-])C1 460110976 PTMRQIKULOSYJM-BBWFWOEESA-N 436.512 4.312 5 20 IIBD CC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1I 460317208 GCZPGSWLGSOFAZ-AWEZNQCLSA-N 438.265 4.293 5 20 IIBD COC(=O)c1cc(Oc2ccc(Cl)cc2)ccc1NC(=O)c1c([N+](=O)[O-])c(C)nn1C 460454231 ZHGOBOAUTHQNJL-UHFFFAOYSA-N 444.831 4.121 5 20 IIBD C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 464389896 NMJNKMXYZVAYHT-MRXNPFEDSA-N 438.505 4.499 5 20 IIBD CN(Cc1ccccc1NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CCCCC1 465036806 XYDVAELWDNTVPE-UHFFFAOYSA-N 439.512 4.312 5 20 IIBD CCOC(=O)c1ncc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])s1 466607474 ARYNDFFPCVSSNX-UHFFFAOYSA-N 427.438 4.059 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NC(C)(C)c2nc(C(F)(F)F)cs2)cc1SC 467002859 FFWBMFZLBADGIE-UHFFFAOYSA-N 435.449 4.466 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](c3ccccc3)c3ccccc32)cc1OC 470219352 KFNHHCNEWQGVEN-HXUWFJFHSA-N 448.475 4.421 5 20 IIBD Cc1c(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cccc1C(F)(F)F 471850444 YYOXDHSEBWVLNH-CYBMUJFWSA-N 427.404 4.227 5 20 IIBD C[C@@H](CCN1CCN(C)CC1)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 472138701 QNERASMWAHFWAH-KRWDZBQOSA-N 432.952 4.156 5 20 IIBD C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C[C@H](C2CC2)O1 473318872 KQCXRIBXKIPGRK-LHSJRXKWSA-N 429.904 4.500 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 473333801 QUUGLBSNYBHKTM-GOSISDBHSA-N 445.262 4.141 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O 475099627 YALLPQHFJYJYSH-KRWDZBQOSA-N 436.295 4.146 5 20 IIBD C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1noc(Cc2ccccc2)n1 475191989 SBOLEKRMMQURIH-LLVKDONJSA-N 435.362 4.470 5 20 IIBD O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 475203845 MZJFHGSBBCZZTM-CYBMUJFWSA-N 436.390 4.496 5 20 IIBD CCN(C[C@@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1)CC(F)(F)F 477273125 UCMFZUGIPDUHFY-ZDUSSCGKSA-N 442.463 4.065 5 20 IIBD O=C1[C@H](NCc2ccc([N+](=O)[O-])cc2F)CCCN1Cc1cccc(C(F)(F)F)c1 478275811 NNCZXDFJVKHYOB-GOSISDBHSA-N 425.382 4.034 5 20 IIBD Cc1ccc(C(=O)N[C@@H](CO)c2ccc(Br)cc2C(F)(F)F)cc1[N+](=O)[O-] 478492058 NCHFDGYTTJVKFQ-AWEZNQCLSA-N 447.207 4.148 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1 478887276 RCUFBVMQHOMXHM-LIRRHRJNSA-N 436.295 4.080 5 20 IIBD COc1c(C(=O)N(C[C@H]2CCCO2)c2ccc(Br)cc2)cccc1[N+](=O)[O-] 483333460 BSCHPJNBLFVJPT-OAHLLOKOSA-N 435.274 4.192 5 20 IIBD COCCc1noc(-c2cc(Cl)ccc2NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)n1 485748254 CMMHNRQHQLJCSP-UHFFFAOYSA-N 446.847 4.056 5 20 IIBD O=C(NCCOc1ccc(F)c(F)c1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 485940058 ZQSQFKGDWNEKPG-UHFFFAOYSA-N 428.391 4.261 5 20 IIBD Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 486092523 FIZXKZOCHKXEAN-INIZCTEOSA-N 427.526 4.155 5 20 IIBD COc1ccc(CC[C@H]2CCCCN2c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1OC 487641747 XXSOZSAOELMSIN-QGZVFWFLSA-N 448.541 4.007 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1ccc(N2CCCC2=O)c(F)c1 488003124 QSMPXYRUJRCLEF-UHFFFAOYSA-N 440.353 4.201 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O 489960229 WHIXWAAHQLUBPN-INIZCTEOSA-N 433.917 4.286 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](c2ccccc2C)OC[C@H]1C 490009640 KUOOAWZLJVRWQB-OXQOHEQNSA-N 430.526 4.244 5 20 IIBD Cc1ccc(-n2nc(C)c(NC(=O)CN(Cc3ccc([N+](=O)[O-])cc3)C3CC3)c2C)cc1 490816435 BZAWVUYWTKTDCV-UHFFFAOYSA-N 433.512 4.309 5 20 IIBD O=C1CCC(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)cc2)=NN1 490849481 YMRVNNUWSZWVQA-UHFFFAOYSA-N 443.463 4.073 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Nc2nnc(SCc3cccs3)s2)cc1[N+](=O)[O-] 493107133 QXGNJOJGKKAVAA-UHFFFAOYSA-N 442.569 4.218 5 20 IIBD CC[C@H]1C[C@@H](C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)CCO1 502936534 UAILXNPMSXGHLS-ROUUACIJSA-N 443.569 4.173 5 20 IIBD COc1ccc(CSCC(=O)N2CCC(Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] 504945972 VIMKQASURDDDSD-UHFFFAOYSA-N 432.517 4.457 5 20 IIBD C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(-n2cccn2)c(F)c1 505360127 QCSKWVVYRUZMRJ-LLVKDONJSA-N 433.237 4.173 5 20 IIBD CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 511823309 OCAJCPGARIJIBB-UHFFFAOYSA-N 433.512 4.274 5 20 IIBD COc1ccc(-c2ccc(C)c(NC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)c2)cn1 512940954 PYQDCKDBPYFKMP-UHFFFAOYSA-N 448.479 4.063 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(I)cc1Cl 513033414 YHXAQCFIEFGNBR-UHFFFAOYSA-N 444.656 4.168 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)N2CCCCC[C@@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] 513476489 RNEXBQVBKZPKFS-QGZVFWFLSA-N 436.917 4.409 5 20 IIBD Cc1cc(=NCCc2nc(-c3cccc(Cl)c3)no2)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 513744679 OBHMTKXRKBBCLH-UHFFFAOYSA-N 436.859 4.140 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCCCCNc3ccccn3)cc2[N+](=O)[O-])C1 517581416 OQTGRUGSEGFDAL-ROUUACIJSA-N 425.533 4.094 5 20 IIBD CC(C)C[C@@H](CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)N[C@@H](C)c1ccccc1 517713989 JZLAAVBYXPFTNG-RXVVDRJESA-N 449.555 4.491 5 20 IIBD O=C(Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1)c1c(Cl)cccc1[N+](=O)[O-] 518381909 ITNNLNVFZZEIKS-UHFFFAOYSA-N 448.870 4.397 5 20 IIBD CCN1CC[C@H](N(C)C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)C[C@@H]1C 519038487 FGRUUOXEHAQMDY-HOCLYGCPSA-N 434.587 4.456 5 20 IIBD CCCOc1cc(NC(=O)C(=O)N(C)[C@@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OCCC 519048095 PDEGPQAYVBTMKE-HZPDHXFCSA-N 435.521 4.148 5 20 IIBD O=C(NC1(c2ccc(Br)cc2)CCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 519075584 SLOOPBBASCGZGI-UHFFFAOYSA-N 441.285 4.352 5 20 IIBD O=C(CSc1nccn1-c1ccc(C(F)(F)F)cc1)NCc1ccc([N+](=O)[O-])cc1 521370684 CVNQWSQSZTTXJC-UHFFFAOYSA-N 436.415 4.208 5 20 IIBD Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1C(=O)NC(C)C 521757754 PBPRUMKQOSDVEA-UHFFFAOYSA-N 427.504 4.240 5 20 IIBD CC(C)Oc1ccc(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c(C(F)(F)F)c1 522557232 ABYNJKJFRJVNOF-UHFFFAOYSA-N 440.374 4.102 5 20 IIBD CC(C)(C(=O)Nc1nc(-c2ccccc2C(F)(F)F)cs1)n1cc([N+](=O)[O-])cn1 522737421 NFHGAAXIYCUVKU-UHFFFAOYSA-N 425.392 4.307 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N[C@@H](Cc2ccc(C)cc2)c2ccccn2)c([N+](=O)[O-])c1 523741518 ORFUCFOLZCFBKN-VGSWGCGISA-N 434.496 4.207 5 20 IIBD COc1ccc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1Br 523891334 UQTYIARPMUPHBM-UHFFFAOYSA-N 429.654 4.427 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1cc2c(cc1OC(F)F)OCO2 525048617 ZBLOERNSEXKUST-LLVKDONJSA-N 440.424 4.064 5 20 IIBD COc1cc(OC)c(OC)cc1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 531713442 YJHCSCPBWLBLHC-UHFFFAOYSA-N 437.452 4.485 5 20 IIBD O=C1CNC(=O)N1c1cccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1 535838005 JRLNHTLPMMANNP-UHFFFAOYSA-N 426.816 4.177 5 20 IIBD COc1ccccc1[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccn1 536351451 UQKILTAJRDSYQF-HSZRJFAPSA-N 432.480 4.118 5 20 IIBD CO[C@@H]1CCC[C@@H]1CNC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 537141244 OHBGIMJOFLZHPE-DNVCBOLYSA-N 428.510 4.093 5 20 IIBD CC(C)[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc(-c2nc[nH]n2)no1 537324793 GLXNWFBFMZOAPP-INIZCTEOSA-N 443.851 4.163 5 20 IIBD C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC1(c2ccccc2Cl)CCOCC1 537967989 KQUPRIMSXUPVHL-MRXNPFEDSA-N 431.920 4.303 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1)N1CC[C@@H](CSc2ccccc2)C1 539414317 OXJCYZZXNLVLFC-CQSZACIVSA-N 441.538 4.119 5 20 IIBD COc1cc(C(=O)NCCCc2cccs2)c([N+](=O)[O-])cc1OCc1cscn1 539914221 DYHNVMOGVGFEBQ-UHFFFAOYSA-N 433.511 4.063 5 20 IIBD COc1ccc([C@H](C)NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])cc1Br 540600148 CMEPMPMMAYHZEN-ZDUSSCGKSA-N 437.290 4.321 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)cc1OC 541056536 JXGBJHAFKIYBPO-ZWOKBUDYSA-N 445.560 4.004 5 20 IIBD CCN(CC)C(=O)Nc1ccc([C@@H](C)NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cc1 543677047 WYMXLPMYHUVPTG-MRXNPFEDSA-N 448.545 4.125 5 20 IIBD O=[N+]([O-])c1ccc2c(ccn2Cc2nc(-c3cc(Cl)c4c(c3)OCCCO4)no2)c1 544918063 VZDKLSLJPRBMPB-UHFFFAOYSA-N 426.816 4.463 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 546626596 RCMACSMZBFRRKE-OAHLLOKOSA-N 438.509 4.166 5 20 IIBD O=C(NCc1ccncc1OCc1ccccc1)c1cc([N+](=O)[O-])ccc1OC(F)F 552713527 ZUABAVXHDZWXHZ-UHFFFAOYSA-N 429.379 4.100 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2sc3c(c2C(=O)c2cccnc2)CCC3)c1 558803181 MJDPZKUDWWBTDC-UHFFFAOYSA-N 437.477 4.422 5 20 IIBD COc1cc(C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c([N+](=O)[O-])cc1OC(F)F 560271080 JWAPTQNFCFFPJR-KRWDZBQOSA-N 434.399 4.208 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1Sc1nnc(COc2ccccc2)n1CCC(C)C 561671266 XFXYRCOVOHRVMJ-UHFFFAOYSA-N 430.534 4.487 5 20 IIBD O=C(c1ccc(Br)cc1)N1CCC[C@H]1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 561857957 BEZQTNFLAOSILI-INIZCTEOSA-N 443.257 4.385 5 20 IIBD O=C(c1ccc(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1)N1CCC(CO)CC1 563498063 LPMJGYRSCWINQE-UHFFFAOYSA-N 435.480 4.311 5 20 IIBD CC(C)c1ccc(-c2nc(CNC(=O)c3ccc(Br)cc3)no2)cc1[N+](=O)[O-] 566588398 ZZFVWMWYQGKVNF-UHFFFAOYSA-N 445.273 4.461 5 20 IIBD COc1c(-c2nc(Cc3c[nH]c4cc(Br)ccc34)no2)cccc1[N+](=O)[O-] 568931469 ITOKJOGRUQHDHN-UHFFFAOYSA-N 429.230 4.488 5 20 IIBD O=[N+]([O-])c1cc2c(Sc3nnc(-c4cccnc4)n3Cc3ccccc3)ncnc2s1 568979939 TZILFLFNDBIDCH-UHFFFAOYSA-N 447.505 4.453 5 20 IIBD Cc1c(C(=O)N2CCN(C(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)CC2)sc2ccccc12 582397372 GBCNROMYOMZTDW-OAHLLOKOSA-N 437.521 4.206 5 20 IIBD COCCN1C(=O)C2(CC2)N[C@H]1c1ccc(Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 602759311 SWBGIDPFBZCLLO-OAQYLSRUSA-N 439.512 4.294 5 20 IIBD COc1c(C)ccc(NC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C 603656990 LTXCYGHCYPLBLQ-UHFFFAOYSA-N 426.395 4.473 5 20 IIBD CC(C)c1ccc(-c2noc(CCC(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)n2)cc1 603693392 PQCACGZFOIAUMI-UHFFFAOYSA-N 449.511 4.050 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)c1C 603983389 QFDMHMGHFQACRQ-UHFFFAOYSA-N 439.493 4.289 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cc1OC 603993376 UGQYMINIIDNXBB-HNNXBMFYSA-N 441.484 4.269 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2F)cc1 608871328 XODCGLSQUSDTHE-UHFFFAOYSA-N 443.456 4.201 5 20 IIBD O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCCc2ccc([N+](=O)[O-])cc21 609859729 ICTANWDNBKKACQ-UHFFFAOYSA-N 434.418 4.204 5 20 IIBD CN(C)CCN(C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)C1CCCC1 609876208 XVYSZDDPVBVOJL-UHFFFAOYSA-N 440.331 4.034 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@@H](c1cccc(F)c1)c1cnn(C)c1 609969619 DDPMRIDLOLWFRY-XCLFUZPHSA-N 446.866 4.136 5 20 IIBD CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1)CC2 610159814 MMGWSFYRPYBWIC-PMACEKPBSA-N 436.574 4.125 5 20 IIBD O=C(COc1ccc(Br)cc1[N+](=O)[O-])N1CCC(Cc2ccccc2)CC1 610219228 QDTXDUZDJGDBSK-UHFFFAOYSA-N 433.302 4.217 5 20 IIBD CCc1ccc(C(=O)N2CCC(c3c(OC)cc(OC)cc3OC)CC2)cc1[N+](=O)[O-] 610435986 IOVJDCCKBJSPHL-UHFFFAOYSA-N 428.485 4.203 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCS[C@H](c3ccccc3)C2)c(C(F)(F)F)c1 610957448 FFYKUFFJEFRZIY-HNNXBMFYSA-N 432.445 4.092 5 20 IIBD O=[N+]([O-])c1cnc(Oc2cccc(F)c2I)c(Br)c1 611001894 XKRWEQHSANJEKI-UHFFFAOYSA-N 438.978 4.288 5 20 IIBD Cn1cc(CN[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 611464444 YKMLERCOMFWWMH-GOSISDBHSA-N 445.445 4.383 5 20 IIBD O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCC[C@@H]2c2ccccc2Br)cc1 611539797 QRTOAVZNWJKDHZ-GOSISDBHSA-N 439.331 4.067 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)N(C)CCCc2cc(-c3ccc(F)cc3)no2)c1[N+](=O)[O-] 616413643 SCEWWAFERZKWII-UHFFFAOYSA-N 447.488 4.259 5 20 IIBD Cc1c(CNC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)cccc1[N+](=O)[O-] 616492799 QQLIXYMPHHMSFL-UHFFFAOYSA-N 427.464 4.140 5 20 IIBD Cc1c(C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 726520525 ZNOOZFCDUIYPET-LSDHHAIUSA-N 434.246 4.168 5 20 IIBD COc1ccc(NC(=O)[C@@H](OC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C(C)C)cc1 728651842 YLLHVDLTXISLQZ-IBGZPJMESA-N 448.497 4.154 5 20 IIBD O=C(Cc1c[nH]c2cc(Cl)ccc12)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 729195612 NYXMHOLCOREFRA-UHFFFAOYSA-N 428.876 4.127 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(Cc1c(F)cccc1F)C1CCCC1 731632110 RPMONRNOXOLJAG-UHFFFAOYSA-N 448.422 4.044 5 20 IIBD O=C(OCCOc1cccc2ccccc12)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 733558488 UYXXTWOLLSQWGN-QGZVFWFLSA-N 440.477 4.036 5 20 IIBD C[C@H](NC(=O)COC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1ccc2ccccc2c1 735353677 APPYOCNGLFVNLY-AWEZNQCLSA-N 445.431 4.036 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Br)Nc1c(Cl)cccc1Cl 740421766 HJVCTVVJJMSXCJ-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD CCN(CC)C(=O)c1ccc(OS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 742305796 RLYFEEPHTDCXKD-UHFFFAOYSA-N 447.296 4.151 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1nc(-c2ccc(Cl)cc2)no1 742941120 KDJJHZYOXPUKIR-ZDUSSCGKSA-N 441.875 4.389 5 20 IIBD CC(C)(C)c1ncc(/C=C/C(=O)OC[C@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])s1 744115467 BPCYLSMBWQCGRR-AUECHBEKSA-N 443.525 4.210 5 20 IIBD O=C(O[C@@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 744491585 QNGJYPVWLYRKER-HXUWFJFHSA-N 443.887 4.201 5 20 IIBD COc1ccc(COC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1SC(F)(F)F 744766174 GVKFOAQKDKPSQF-UHFFFAOYSA-N 432.332 4.481 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 745567487 AAECDKZTEXEEDF-UHFFFAOYSA-N 446.765 4.380 5 20 IIBD CCc1ccc(C(=O)N2CCC([C@H]3CCCN3C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] 746592807 GXSDVVVHOLWMFM-LJQANCHMSA-N 431.533 4.409 5 20 IIBD C[C@H](OC(=O)C1CC(OCc2ccccc2)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 747054907 WTMSLFSNDQQDSI-KTAKPFMOSA-N 432.860 4.114 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 750535703 QIQYYCHFBUHCKT-SNVBAGLBSA-N 446.765 4.181 5 20 IIBD COc1cc(C(=O)OCCNc2cccnn2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 754692029 NWSLUIVAMHPPBD-UHFFFAOYSA-N 444.831 4.108 5 20 IIBD C[C@H](OC(=O)c1cc(-c2ccccn2)ccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 755000551 ZQQWNWSKKBQPKO-ZDUSSCGKSA-N 425.828 4.494 5 20 IIBD CC(=O)Nc1cccc(NC(=O)[C@H](OC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C(C)C)c1 755069656 XDXQNTJVSVNUIC-ZUOKHONESA-N 445.447 4.002 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCc3cn(-c4ccccc4)nn3)c([N+](=O)[O-])c2)cc1 756126829 PFMODYUALOCLDG-UHFFFAOYSA-N 428.452 4.348 5 20 IIBD Cc1ccc2c(COC(=O)Cc3ccc([N+](=O)[O-])cc3Br)cc(=O)oc2c1 756524888 GAOKUGCXOHHRPP-UHFFFAOYSA-N 432.226 4.058 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NCC[C@H](O)c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 758179944 FTRMFAREJUJLLC-SFHVURJKSA-N 449.294 4.402 5 20 IIBD Cc1cc(F)cc(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1[N+](=O)[O-] 758390905 VLPDNRIRRKVDDG-UHFFFAOYSA-N 425.382 4.019 5 20 IIBD Cc1cc(F)cc(C(=O)N[C@@H](C)c2cc3c(cc2Br)OCCO3)c1[N+](=O)[O-] 758428674 FSWKLBNZPMKXMD-JTQLQIEISA-N 439.237 4.067 5 20 IIBD O=C(NOCc1ccc(F)cc1Br)c1cccc([N+](=O)[O-])c1Br 760867265 FBDANNLTGYMHOC-UHFFFAOYSA-N 448.042 4.121 5 20 IIBD COc1cc(CNC2CCC(O)(c3ccccc3)CC2)c([N+](=O)[O-])cc1OCC(F)F 761228853 NFAAOAXYAWMYGY-UHFFFAOYSA-N 436.455 4.167 5 20 IIBD CC(C)[C@H](NC(=O)OC(C)(C)C)c1noc(-c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)n1 762027462 RISYKDOSUHSSFM-INIZCTEOSA-N 428.449 4.052 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(N(C)C(C)C)c1 762533083 MUMVQDGSQJDGCH-UHFFFAOYSA-N 431.514 4.347 5 20 IIBD C[C@H]1CCN(C(=O)COC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c2ccccc2S1 762904694 VBYJFBVAFMDHOW-ZDUSSCGKSA-N 425.466 4.150 5 20 IIBD COc1ccc(COC(=O)c2cn(C3CC3)c3cc(Cl)c(F)cc3c2=O)cc1[N+](=O)[O-] 762932129 KHXPSRNOGZLSSE-UHFFFAOYSA-N 446.818 4.403 5 20 IIBD O=C(Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)c1cc(F)c([N+](=O)[O-])cc1F 763373077 IKDJZPQPUNWXLH-UHFFFAOYSA-N 441.346 4.106 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)cc1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] 766319505 ITFPTDZEMWQVBT-UHFFFAOYSA-N 435.502 4.235 5 20 IIBD COc1ccc(-c2nc(C)c([C@@H](C)NS(=O)(=O)c3csc([N+](=O)[O-])c3)s2)cc1 768835894 STJAIABJGRISSS-LLVKDONJSA-N 439.540 4.136 5 20 IIBD Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1cc(Br)cc([N+](=O)[O-])c1 770157426 OGFFWIITORZRJM-CHWSQXEVSA-N 435.274 4.088 5 20 IIBD COc1ccc2[nH]cc(C3CCN(C(=O)c4cc([N+](=O)[O-])c5nsnc5c4)CC3)c2c1 771502880 JFSBXHOYBYMFQE-UHFFFAOYSA-N 437.481 4.109 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)/C=C\c1ccc2ccccc2n1)c1ccccc1[N+](=O)[O-] 771581749 LURIJCZLCJTSKF-HJBMFWNLSA-N 433.464 4.355 5 20 IIBD Cc1ccccc1CN(Cc1cccnc1)S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 771733076 UEVFAJBAWZWWEZ-UHFFFAOYSA-N 429.473 4.137 5 20 IIBD O=[N+]([O-])c1cn(CN2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)nc1-c1ccncc1 771865443 VNAZQVFPLHWGBF-CYBMUJFWSA-N 438.435 4.166 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)C(C)(C)c2cccc(Cl)c2F)c([N+](=O)[O-])c1 772485032 KTFVYWROCSMYIS-LLVKDONJSA-N 438.839 4.244 5 20 IIBD O=C(O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1ccc(=O)n(-c2cccc(F)c2)c1 776137116 YGYCQIAAZYMYCA-HSZRJFAPSA-N 445.406 4.226 5 20 IIBD O=C(c1cccc2ccccc12)N1CCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 777952702 WARHUNJRGFYERQ-UHFFFAOYSA-N 441.491 4.027 5 20 IIBD C[C@@H](OC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccccc1NC(=O)c1ccccc1 779202776 NZWSLNSSZWIAFM-CQSZACIVSA-N 434.404 4.494 5 20 IIBD O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)c1cc([N+](=O)[O-])ccc1N1CCCC1 779552320 QFKONMWUBXGJKB-UHFFFAOYSA-N 434.418 4.325 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc([C@H]2COCCN2C(=O)OC(C)(C)C)no1 779574745 RTTZFZBCBPSOLW-SWLSCSKDSA-N 436.490 4.140 5 20 IIBD O=C(Nc1ccccc1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)OCc1ccccc1 781686920 GPHXPBLBBARJHZ-UHFFFAOYSA-N 434.404 4.383 5 20 IIBD C[C@H]1CCCN(Cc2csc(NC(=O)c3cccc([N+](=O)[O-])c3Br)n2)C1 782163934 MRWMCPLBFHMKBM-NSHDSACASA-N 439.335 4.298 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 782715347 CJTILAGDEKELJW-UHFFFAOYSA-N 437.408 4.021 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)CC3)cc1[N+](=O)[O-] 782735259 SHNJKODVZHLUIT-SZMVWBNQSA-N 432.521 4.148 5 20 IIBD O=C(O[C@@H]1CCO[C@@H](C2CCOCC2)C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 786496666 KYGXLGGIQRNYON-NFBKMPQASA-N 441.480 4.305 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1[N+](=O)[O-] 787275262 MERYPWWFKXFNTF-LLVKDONJSA-N 426.351 4.391 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c(Cl)c1 790933122 UXPLEIDCRTUMRX-UHFFFAOYSA-N 428.850 4.363 5 20 IIBD Cc1c(CNC(=O)C(=O)Nc2ccccc2SCc2ccccc2)cccc1[N+](=O)[O-] 792314062 NYOCCLNIENAYCE-UHFFFAOYSA-N 435.505 4.450 5 20 IIBD Cc1nc(-c2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)cc2)oc1C 795304866 PBBLHABPLQARFK-UHFFFAOYSA-N 425.825 4.460 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Oc1cc(F)c(Cl)cc1Br 795355104 XDWLEIXLBWDMQE-UHFFFAOYSA-N 428.594 4.057 5 20 IIBD Cc1cc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)ccc1[N+](=O)[O-] 800377204 NYYCGSDUGJCFAK-RBUKOAKNSA-N 425.485 4.036 5 20 IIBD Cc1cc(CN(C)C(=O)c2cc([N+](=O)[O-])c(F)cc2N)cc(C)c1OCC(F)(F)F 801832074 RCZRSLMVGWTSIB-UHFFFAOYSA-N 429.370 4.146 5 20 IIBD COc1cc(COC(=O)c2ccc(CN3CCCC3)cc2)c([N+](=O)[O-])cc1OC(F)F 801871268 QIVUDDCNZHAGNP-UHFFFAOYSA-N 436.411 4.158 5 20 IIBD Cc1c([N+](=O)[O-])cnc(Oc2ccc(S(=O)(=O)C(F)(F)F)cc2)c1Br 804839650 QFMMSGJIHVMZPF-UHFFFAOYSA-N 441.181 4.147 5 20 IIBD O=[N+]([O-])c1cc(F)c(S(=O)(=O)N(CCc2ccccc2)Cc2cccnc2)cc1Cl 809810893 QTNULSGDFXXWSJ-UHFFFAOYSA-N 449.891 4.216 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 809915946 SYWQUWNHYZCQEU-LJQANCHMSA-N 426.901 4.407 5 20 IIBD COC(=O)N(C)c1ccc(NCc2cc(I)cc([N+](=O)[O-])c2)cc1 810135712 RYSGRCGCAQTDHX-UHFFFAOYSA-N 441.225 4.014 5 20 IIBD CNC(=O)c1cc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2F)ccn1 810921701 LMYUBCDOYYEWMM-UHFFFAOYSA-N 444.806 4.187 5 20 IIBD O=[N+]([O-])c1cccc(NS(=O)(=O)C2=Cc3cc(Br)ccc3OC2)c1Cl 811832787 YQACIUVNQNOXPT-UHFFFAOYSA-N 445.678 4.186 5 20 IIBD CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](COC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 813158613 VTNDARDCKSRGOS-ZDUSSCGKSA-N 446.472 4.122 5 20 IIBD Cc1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c(C)n1C1CC1 823300224 PMOXDFVPYOZQJX-UHFFFAOYSA-N 425.485 4.378 5 20 IIBD COc1cc(C(=O)O[C@H](C(=O)Nc2cccc(C)c2C)C(C)C)c([N+](=O)[O-])cc1OC 876385170 BWOGSXINUMXGKB-FQEVSTJZSA-N 430.457 4.049 5 20 IIBD COc1ccc(OC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])c1 914714112 JNVIWNYRDKNSJY-HNNXBMFYSA-N 439.251 4.120 5 20 IIBD O=C(/C=C\c1ccccc1OC(F)(F)F)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 914807540 DVALZCMCMOEQMI-YFHOEESVSA-N 435.314 4.300 5 20 IIBD CC(C)c1noc2nc(C3CC3)cc(C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)c12 915576563 AUMXUEQDKOKTPD-GFCCVEGCSA-N 438.440 4.316 5 20 IIBD Cc1ccc(C(C)C)c(OCc2nnc(SCCc3ccc([N+](=O)[O-])cc3)n2N)c1 915793186 FBDDEDRORIORHQ-UHFFFAOYSA-N 427.530 4.246 5 20 IIBD Cc1ccccc1S(=O)(=O)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 916753832 QAJUMDMPLUCJDZ-UHFFFAOYSA-N 428.491 4.173 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 918411287 RERHQLPKIWBPAL-LJQANCHMSA-N 435.867 4.361 5 20 IIBD COc1ccc(Br)c2[nH]c(C(=O)OCCOc3ccccc3[N+](=O)[O-])cc12 919065733 SLZVGOZZWCMCOL-UHFFFAOYSA-N 435.230 4.083 5 20 IIBD O=C(CCCSc1ccc(Cl)cc1)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 920332081 UGHBNONDKUCRTE-UHFFFAOYSA-N 449.337 4.279 5 20 IIBD COc1ccc([C@H](NC(=O)c2cc(C)ccc2[N+](=O)[O-])c2ccc(OC)cc2OC)cc1 1318692661 SMOOKWXDRVKRIJ-QHCPKHFHSA-N 436.464 4.448 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 1319572412 JHMNKKPRBJWZOH-HXUWFJFHSA-N 439.903 4.370 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1 1324515627 GRQIXBPQUYLNKB-UHFFFAOYSA-N 427.464 4.179 5 20 IIBD COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)Cc1ccc([N+](=O)[O-])cc1Br 1325786535 VGSGQQDDHZYVDV-MRXNPFEDSA-N 447.207 4.121 5 20 IIBD Cc1ccc(Sc2ccc(-c3nnc([C@H]4CCS(=O)(=O)C4)o3)cc2[N+](=O)[O-])cc1 1326498766 RBGVCPANWMDVCY-AWEZNQCLSA-N 431.495 4.007 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H]1c1nnc(-c2cccc(Br)c2)o1 1345917694 LKBJKVCTJBFRPO-GFCCVEGCSA-N 449.286 4.446 5 20 IIBD CC(C)(F)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc([N+](=O)[O-])cc3F)CCC2)cc1 1787940889 IBSWZXNNTVIQNA-UHFFFAOYSA-N 431.439 4.159 5 20 IIBD Cc1ccc(C(=O)N2CCC3(CCCN(C(=O)c4ccc([N+](=O)[O-])o4)C3)CC2)c(Cl)c1 1804649521 BJWHOGIKPNAHOE-UHFFFAOYSA-N 445.903 4.308 5 20 IIBD C[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1)c1cccs1 1823618237 RGDOFGSJMRZOMB-NVXWUHKLSA-N 445.541 4.286 5 20 IIBD CSc1ccc(C(=O)OCC(=O)Nc2ccc(Br)cc2F)cc1[N+](=O)[O-] 9621910 UFCIJFISEUTKIJ-UHFFFAOYSA-N 443.250 4.014 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccccc1OCc1ccc(F)cc1 10587242 QHVPQMGWLZOGRN-UHFFFAOYSA-N 438.411 4.417 5 20 IIBD O=C(OCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1)c1ccccc1[N+](=O)[O-] 24503956 YCWVVHCNZIOHCR-INIZCTEOSA-N 441.490 4.253 5 20 IIBD Cc1ccc(C(=O)Nc2ccccc2NS(=O)(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 60850891 IDRUCDFUKTWFJW-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(NC(=O)c2ccncc2)c1 64420324 VSCSKFIAUGCLKE-CYBMUJFWSA-N 440.843 4.302 5 20 IIBD Cc1cc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)n(-c2ccc([N+](=O)[O-])cc2)n1 105526135 PMDFCGRDQIEJMG-CYBMUJFWSA-N 445.273 4.257 5 20 IIBD O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 110916112 KYINYSPSBVHXFN-UHFFFAOYSA-N 426.388 4.129 5 20 IIBD C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 111040729 SNDCOOASCZWUEI-OAHLLOKOSA-N 425.464 4.016 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N3CC[C@@H]4OCCC[C@@H]4C3)c([N+](=O)[O-])c2)c(C)c1 301717057 KPLYXWBTTZOORV-VGSWGCGISA-N 445.541 4.018 5 20 IIBD COc1ccc(-c2nnc(SCCn3cc([N+](=O)[O-])cn3)n2-c2ccc(C)cc2)cc1 303956804 XRPIBRZYIYUZFI-UHFFFAOYSA-N 436.497 4.148 5 20 IIBD Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 410005046 UOLLNQHGNCYCPV-UHFFFAOYSA-N 445.483 4.219 5 20 IIBD CCc1ccc([C@@H](Nc2ccc3c(c2)CCN3C(=O)COC)c2ccc([N+](=O)[O-])cc2)o1 427879604 CPBOUEYGUWAJJV-DEOSSOPVSA-N 435.480 4.487 5 20 IIBD C[C@@H]1CN(C(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)CC[C@H]1O 428687849 DZTKASZYCMWRKN-KXMINTHGSA-N 437.521 4.365 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)N(C)[C@@H]2CC[C@@H](C)C2)cc([N+](=O)[O-])c1C 430443381 CDXXTPJEGNKDJC-RHSMWYFYSA-N 445.541 4.273 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N(Cc1ccccc1)CC(F)F 431897905 HSDWACCYAQANJF-UHFFFAOYSA-N 425.240 4.358 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)[C@@H]1CC(=O)N(Cc2ccco2)C1 435449545 SQDLKZJXHZYKDB-CYBMUJFWSA-N 443.506 4.388 5 20 IIBD CC(C)c1ccc(C(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)cc1[N+](=O)[O-] 439141392 SBKOVYWMNNAUDN-UHFFFAOYSA-N 437.452 4.189 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CCc1ccc(F)cc1)C1CCCC1 440014981 XFIUWCPGSDGDQZ-UHFFFAOYSA-N 443.475 4.085 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Cc1nc2ccccc2n1C(F)F 443197520 AKXGCQMZGQSXSQ-UHFFFAOYSA-N 446.229 4.076 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1 444471364 GEKBGUJDQIRFTK-UHFFFAOYSA-N 428.448 4.471 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 444732758 WPDYHFABGGYAIY-QGZVFWFLSA-N 442.541 4.102 5 20 IIBD CC1CCN(c2ccc(-c3nc(CC(=O)N(C)C4CCCCC4)no3)cc2[N+](=O)[O-])CC1 445531606 LJZJBTKIIYSPHY-UHFFFAOYSA-N 441.532 4.215 5 20 IIBD O=C(Cc1noc(-c2ccc(OC3CCC3)cc2Cl)n1)NCc1ccc([N+](=O)[O-])cc1 445697986 WESHNIPKMRVIKL-UHFFFAOYSA-N 442.859 4.088 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 447068676 MHNPBVOCFJKEHX-QGZVFWFLSA-N 436.468 4.384 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc1[N+](=O)[O-])c1ccccn1 448196295 JLKBAOQHMMANPB-GEQKSPFYSA-N 449.555 4.252 5 20 IIBD Cc1ccc(C(=O)N2CCN([C@@H](C)c3ccc(Br)cc3)CC2)cc1[N+](=O)[O-] 460578987 ZDZFGJZOVYDKBZ-HNNXBMFYSA-N 432.318 4.185 5 20 IIBD O=C(C[C@H](Cc1ccccc1)c1ccccc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 461082441 GHFPZROXWWXPQY-FCHUYYIVSA-N 430.508 4.419 5 20 IIBD Cc1sc(CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])nc1-c1ccc(Cl)cc1 463151304 ZBYDPOKNXREQFS-UHFFFAOYSA-N 430.917 4.433 5 20 IIBD O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1cccc2ccsc12 464544882 BZUBDTIOAGHHPM-UHFFFAOYSA-N 445.503 4.351 5 20 IIBD CCCN(CCc1cccs1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br 464586924 RIOCKAKAAVNMPH-UHFFFAOYSA-N 426.336 4.312 5 20 IIBD CCc1cccc(Cc2cnc(NC(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)s2)c1 465036320 SJRFHCACPLHJHT-UHFFFAOYSA-N 439.493 4.157 5 20 IIBD O=C(CNC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)Nc1cccnc1 466860850 HHRWHYHSPLDKFV-UHFFFAOYSA-N 442.884 4.163 5 20 IIBD Cc1c([C@@H](C)NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cnn1-c1ccc(F)cc1 467217926 NBGSHMWEPPPDDH-GFCCVEGCSA-N 431.855 4.442 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)NCCn3cnnc3C(C)C)cc2[N+](=O)[O-])cc1 467515230 XDFSNJHMQSBHLM-UHFFFAOYSA-N 425.514 4.199 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N(C)CC[C@@H]2CCCO2)cc1[N+](=O)[O-] 468210192 LRGNGBYIILMASD-INIZCTEOSA-N 428.510 4.189 5 20 IIBD Cc1c(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cccc1NC(=O)N(C)C 473527805 JURCURRRKUWQOS-UHFFFAOYSA-N 432.455 4.475 5 20 IIBD CC[C@H](CC(=O)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1)c1ccc(C)cc1 478088616 TWGSICIOZAAOSU-GOSISDBHSA-N 435.528 4.402 5 20 IIBD CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 482762437 OFJFAKSUHMCSGU-LRTDBIEQSA-N 429.860 4.068 5 20 IIBD Cc1ncc(-c2ccc(NS(=O)(=O)c3ccc(Br)cc3[N+](=O)[O-])cc2)o1 485388762 WSFAQAVXFOLRBE-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD C[C@@H](C(=O)Nc1ccc(Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)cc1)n1cncn1 485400412 DEVBSAFEOXFUQV-AWEZNQCLSA-N 447.430 4.331 5 20 IIBD CCOc1cc(CCCNC(=O)c2sc(Br)cc2[N+](=O)[O-])ccc1OC 485492227 NFXXNZBYFDWUHX-UHFFFAOYSA-N 443.319 4.189 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(Br)cc2Cl)c(C)c([N+](=O)[O-])c1 485937406 DIJCYXBPLJNORM-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD O=C(Cc1cc(Br)ccc1F)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 486716396 ZKCFKALWURQCAJ-UHFFFAOYSA-N 435.171 4.374 5 20 IIBD CN(C)C(=O)Nc1ccc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(Cl)c1 486719418 WSUWKJNTMFNIND-UHFFFAOYSA-N 444.797 4.291 5 20 IIBD O=[N+]([O-])c1ccc2oc(CN3C[C@H]4CCC[C@@]4(c4nc(-c5ccccc5)no4)C3)nc2c1 486840148 ASYVSGPTXLPEMN-WAIKUNEKSA-N 431.452 4.340 5 20 IIBD COC(=O)c1cc(NC(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(C)c([N+](=O)[O-])c1 486894344 DZKDMFOYJVGRGX-YLJYHZDGSA-N 445.447 4.213 5 20 IIBD O=C(c1cn(Cc2ccccc2)c2ccccc12)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 486993146 CGKKYNYFFBAFFV-UHFFFAOYSA-N 429.480 4.272 5 20 IIBD COc1cc(C(=O)Nc2nc(C)c(Cc3c(F)cccc3F)s2)c([N+](=O)[O-])cc1OC 487590302 KREYWPDMYDCQOG-UHFFFAOYSA-N 449.435 4.498 5 20 IIBD Cc1ccc(CCC2CCN(C(=O)Cn3cc([N+](=O)[O-])c(=O)c4ccccc43)CC2)cc1 487880608 XYRYWWAJTUTBCO-UHFFFAOYSA-N 433.508 4.090 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(NCCc2ccccc2)cc1 488705990 ROVCHNVRJNLRRK-HXUWFJFHSA-N 436.516 4.121 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N(CCO)Cc1cccc(Br)c1 489089066 DTDANHROVLJOCC-UHFFFAOYSA-N 435.299 4.207 5 20 IIBD CCOc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC)cc1 489430064 CQKCOCUMADYZNF-AWEZNQCLSA-N 441.513 4.391 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O 489960230 WHIXWAAHQLUBPN-MRXNPFEDSA-N 433.917 4.286 5 20 IIBD O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1csc(-c2ccccc2Cl)n1 490363014 HDRHMGKWTDDQLX-UHFFFAOYSA-N 426.845 4.409 5 20 IIBD CCC(C)(C)OCc1cccc(NC(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1C 490871412 JPZSOYOLOARROB-UHFFFAOYSA-N 427.501 4.206 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(F)c(F)cc1N1CCOCC1 492994198 OYVNZPVLNMPSQN-UHFFFAOYSA-N 434.443 4.152 5 20 IIBD COc1c(F)cc(S(=O)(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)cc1[N+](=O)[O-] 493417529 VPGAGNAYQRLHOE-LLVKDONJSA-N 431.511 4.013 5 20 IIBD C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CCC(OC2CCCC2)CC1 494816015 NGHWBIWQLTWRMU-HNNXBMFYSA-N 444.557 4.469 5 20 IIBD Cc1cc(C(C)(C)C)cc(C)c1CS(=O)(=O)Cc1cc([N+](=O)[O-])cc2c1OCOC2 498594234 SSBGLAMHHHMWPN-UHFFFAOYSA-N 433.526 4.491 5 20 IIBD O=C(Nc1cccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1)c1ccccc1 500302620 DNPKLUBWPPDZHE-UHFFFAOYSA-N 427.420 4.285 5 20 IIBD COc1cc(C(=O)Nc2ccc(Cl)c(CN(C)C)c2)c([N+](=O)[O-])cc1OC(F)F 500796224 PNAUBLSKDZZAPI-UHFFFAOYSA-N 429.807 4.172 5 20 IIBD COC(=O)C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(Br)cc1 503941720 MAIIKOMWJZEZOW-OAHLLOKOSA-N 436.262 4.092 5 20 IIBD CN(c1ccccc1)S(=O)(=O)c1cccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 505028953 CGUMBLCUEGUWTA-UHFFFAOYSA-N 436.449 4.137 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](C)c1ccc(-n2cccn2)c(F)c1 505246813 ZYRHORLGQMNZOA-CHWSQXEVSA-N 432.839 4.218 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@@H](OCC1CC1)c1ccc(Cl)cc1 506287401 XASPRYSFSKHPBT-LJQANCHMSA-N 445.903 4.088 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCOc1ccc(Br)cc1 509465779 WQBKSBAJDBIIBR-UHFFFAOYSA-N 436.306 4.356 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 511854436 IATMGAZLWQRQLC-IRXDYDNUSA-N 437.418 4.487 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 516062090 SBWHDXKQVLPPNY-SFHVURJKSA-N 446.301 4.262 5 20 IIBD COc1ccc(CSCC(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)cc1[N+](=O)[O-] 518954662 DDKQKQGKJDFANC-SFHVURJKSA-N 432.498 4.033 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H](NC[C@@H]1CCCCO1)c1ccccc1 520519973 AJIJXZDNDYRHEB-QFBILLFUSA-N 448.317 4.196 5 20 IIBD CC(C)N(Cc1cccc(Br)c1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 521155838 NEMIWBPTFPSFFL-UHFFFAOYSA-N 431.283 4.096 5 20 IIBD O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCc3nc(-c4ccccc4Cl)sc3C2)c1 521503193 VNXBNJRBIZQRCJ-OAHLLOKOSA-N 445.928 4.170 5 20 IIBD Cc1ccc(-c2csc(NC(=O)CCc3nc(-c4ccoc4)no3)n2)cc1[N+](=O)[O-] 523497576 RJIKRUUYTOTOIU-UHFFFAOYSA-N 425.426 4.241 5 20 IIBD CC(C)[C@@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccccc1Cl 524513710 YNSQRTIBAALLFK-HXUWFJFHSA-N 431.876 4.450 5 20 IIBD COCc1nc2cc(NCc3cc(OC)c(OCC(F)(F)F)cc3[N+](=O)[O-])ccc2o1 530952516 ORHBQGHILCPFFC-UHFFFAOYSA-N 441.362 4.444 5 20 IIBD C[C@@H](C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(C(=O)c2ccccc2)c1 534943140 NCMBPHUPMKKZIT-OAHLLOKOSA-N 441.447 4.353 5 20 IIBD O=C(Nc1ccc(OC(F)F)cc1)c1cc(I)cc([N+](=O)[O-])c1 535027214 QFHDAXUKGFUQON-UHFFFAOYSA-N 434.136 4.053 5 20 IIBD CCC[C@H](NC1CCN(C(=O)c2ccc(OC)cc2OC)CC1)c1cccc([N+](=O)[O-])c1 536805443 HDKYWAHLVRBPBE-QFIPXVFZSA-N 441.528 4.348 5 20 IIBD O=C(N[C@@H](CO)CC(F)(F)F)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 538883837 KSZXRSGDWPMYHI-LLVKDONJSA-N 434.823 4.443 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 540473665 LWOJUMJZTJTCCG-INIZCTEOSA-N 446.504 4.271 5 20 IIBD CCc1ccc([C@@H](NCCCN2CCN(c3ccncc3)CC2)c2ccc([N+](=O)[O-])cc2)o1 541546124 OVNORMLSHJSBBE-VWLOTQADSA-N 449.555 4.037 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1OC 542587957 VTPKLSJXXXLTSJ-VQIMIIECSA-N 432.448 4.134 5 20 IIBD CO[C@H](c1ccc(F)cc1)c1noc(-c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)n1 545804860 DGHCFZKLUWJFBK-HXUWFJFHSA-N 437.431 4.381 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(Cc3nc(C(C)C)no3)cc2)c1C 549551634 XPNJXVXUHGVKQJ-UHFFFAOYSA-N 430.486 4.110 5 20 IIBD O=C(NC[C@H](NCc1ccccc1)c1ccco1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 552356359 OZRKYCDFDQUFMM-SFHVURJKSA-N 433.386 4.468 5 20 IIBD Cc1nc(NC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)nn1C 553843747 FDEGSZAPAWCQAH-UHFFFAOYSA-N 426.483 4.045 5 20 IIBD COc1cc(N2CCN(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)ccc1F 554913140 GSQGNDHBANNPPK-UHFFFAOYSA-N 442.369 4.115 5 20 IIBD COC(=O)CN(C)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2 556293253 RIGNCKUOUYULTF-SAPNQHFASA-N 445.475 4.265 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC1CCN(c2nc3ccccc3s2)CC1 558867090 SZTPMIONBDJSST-UHFFFAOYSA-N 439.541 4.057 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2c2nc(-c3cnc4ccccc4c3)no2)ccc1[N+](=O)[O-] 561874829 ZYDIVJXHJANQOI-FQEVSTJZSA-N 429.436 4.479 5 20 IIBD COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c(C(F)(F)F)c1 566731776 APJZCFYMZCCQAI-UHFFFAOYSA-N 444.309 4.442 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCO[C@@H](c2ccc(Cl)cc2)C1 575993619 HLPOOHNKCSAWQB-MRXNPFEDSA-N 425.666 4.224 5 20 IIBD COc1cc(C(=O)N[C@H](C)c2ccc(Br)cc2F)c([N+](=O)[O-])cc1OC 577421709 SADOEGUJTNVLPQ-SECBINFHSA-N 427.226 4.005 5 20 IIBD C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](CCO)c1ccc(Cl)c(Cl)c1 580789404 UDUITGPYWUHTHI-KZULUSFZSA-N 426.300 4.332 5 20 IIBD Cn1ccnc1[C@@H](N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1ccc([N+](=O)[O-])cc1 582411603 KGSPLXFYCMRAQA-QRWLVFNGSA-N 429.883 4.079 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1CN[C@@H](c1cccc([N+](=O)[O-])c1)c1nccn1C 582502622 KQVJFKJQLSXPST-QHCPKHFHSA-N 430.512 4.069 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 583286837 IAYYQNUDYOKFBE-KURKYZTESA-N 431.286 4.002 5 20 IIBD COc1ccc(NC(=O)CCN[C@H](C)c2ccc(F)c(Br)c2)c([N+](=O)[O-])c1 590194115 ZUNQCRMSHUSIRT-LLVKDONJSA-N 440.269 4.184 5 20 IIBD Cc1cccc(-n2nnc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)c(C)s3)c2C)c1 603999071 USNQXIVORSTCHG-UHFFFAOYSA-N 434.481 4.477 5 20 IIBD CC[C@@H](C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1C)C(=O)Nc1cccc(N2CCCC2)c1 609028692 CCILPLNSSLJKSQ-OPAMFIHVSA-N 438.528 4.287 5 20 IIBD COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 609198345 JZPFGHWNCMKBDI-UHFFFAOYSA-N 442.493 4.003 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1c(C)cnn1[C@@H]1CCCc2ccccc21 609321922 PXMPBQHTUDGFTK-LJQANCHMSA-N 426.498 4.135 5 20 IIBD COc1ccc2[nH]cc(C3=CCN(C(=O)c4cc(O)nc5ccc([N+](=O)[O-])cc45)CC3)c2c1 609548002 UHYVRCCRRBOXOZ-UHFFFAOYSA-N 444.447 4.268 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccccc2CN(C)C(=O)c2cccs2)cc1[N+](=O)[O-] 609984784 DSIQEJGFBHJMQU-UHFFFAOYSA-N 445.522 4.038 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1ccc(F)cc1OC1CCCC1 615147921 NPQVQEASBXCLRI-UHFFFAOYSA-N 443.475 4.431 5 20 IIBD CN(C(=O)c1ccc(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1)C1CCCCC1 618618979 YHWSASQRYQRUQP-UHFFFAOYSA-N 425.485 4.383 5 20 IIBD C[C@H]1CCCCN1CCOc1ccccc1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 619773139 QDUKFKABYZSGKM-IBGZPJMESA-N 425.529 4.163 5 20 IIBD Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C1 726623930 MAZVKBYVKHBMHK-AWEZNQCLSA-N 432.864 4.030 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1csc(Cc2ccc(F)cc2)n1 727019477 HPBOLTCRRIHPCW-UHFFFAOYSA-N 440.412 4.188 5 20 IIBD Cc1ccsc1C(=O)Nc1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1 729485523 JRRFPINWRQOAOP-UHFFFAOYSA-N 432.479 4.293 5 20 IIBD COc1cc(C(=O)OCCN2CCCCC2=O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 730411403 FFPHISXEUDXHHH-UHFFFAOYSA-N 448.859 4.218 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(-c2nc3ccccc3s2)cn1 731163259 QEKPXQCJJYHOMY-UHFFFAOYSA-N 430.449 4.255 5 20 IIBD COc1cc(C(=O)OCC(=O)NCC2CCC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 731238325 WUFCAADVPPPRAG-UHFFFAOYSA-N 448.859 4.122 5 20 IIBD C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1nc2ccc(Cl)cc2[nH]1 732545198 JGGHBKJFMCWYSJ-ZDUSSCGKSA-N 427.892 4.218 5 20 IIBD CN1C(=O)CC[C@H](C(=O)OCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(C(F)(F)F)cc1 734389835 NFLXQLHRZKFPIL-HKUYNNGSSA-N 436.386 4.267 5 20 IIBD COc1ccc(-c2nnc(SCC(=O)OCc3cc([N+](=O)[O-])ccc3Cl)o2)cc1 734779457 FMUUKXHUWXBBKW-UHFFFAOYSA-N 435.845 4.142 5 20 IIBD O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])C1CCN(C(=O)c2ccc(F)cc2F)CC1 734883167 PQVZQAHPCFQHSF-UHFFFAOYSA-N 438.814 4.122 5 20 IIBD C[C@H](NC(=O)COC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1Cl 735149752 VLTQFVBNUHKFAN-LBPRGKRZSA-N 441.267 4.091 5 20 IIBD CCN(c1ccc(NC(=O)CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1)C(C)C 743863027 PQEFZCFPBHMHBM-UHFFFAOYSA-N 440.544 4.311 5 20 IIBD Cc1ccc(N2CCC[C@H](OC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)C2=O)cc1 744894990 NPAXNSUAMRVWRR-IBGZPJMESA-N 437.477 4.379 5 20 IIBD CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1cc(F)ccc1[N+](=O)[O-] 745382329 VVZANDZBNWTONI-UHFFFAOYSA-N 433.745 4.117 5 20 IIBD O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1occc1CS(=O)(=O)c1ccccc1 746062736 FGVLFJPHTGFRRT-UHFFFAOYSA-N 435.841 4.172 5 20 IIBD CCCN(Cc1ccccc1Br)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 746182127 OSLNIWHOSCGRTN-UHFFFAOYSA-N 431.283 4.097 5 20 IIBD C[C@H](OC(=O)Cc1csc(-c2cccnc2)n1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 746216728 WZMBSKCYWSMFHA-LBPRGKRZSA-N 437.437 4.010 5 20 IIBD CCOc1ccc([C@H]2CCCN2C(=O)COC(=O)c2ccc(CC)c([N+](=O)[O-])c2)cc1 747013118 XRNPRAYGSDCSBP-HXUWFJFHSA-N 426.469 4.076 5 20 IIBD CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1 748619376 COKYRFQZKUVAMY-LBPRGKRZSA-N 428.445 4.034 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cc(Cl)ccc1OC(F)F 748915796 CHDZJCVMYJSCJT-SECBINFHSA-N 444.774 4.042 5 20 IIBD CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@@H](O)c1cccc([N+](=O)[O-])c1 749689095 UMXDQPZHMZQRHX-QGZVFWFLSA-N 434.905 4.264 5 20 IIBD CC[C@@H](Oc1ccccc1C)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 750468222 ZNNZGOIHIBBLEI-MRXNPFEDSA-N 440.374 4.261 5 20 IIBD Cc1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])c(Br)cc2F)cc1Cl 751692675 RGFZSFUEIUWAKQ-UHFFFAOYSA-N 445.628 4.254 5 20 IIBD O=C(N[C@@H](CO)C[C@H](O)c1ccccc1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 755609902 FNPZKAFOAXINKB-NQIIRXRSSA-N 444.553 4.092 5 20 IIBD CC[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C 757363340 ZSJOTISOWUUSFM-SWLSCSKDSA-N 445.438 4.379 5 20 IIBD C[C@@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 759999797 YJZGMYHQUCIDTH-UZLBHIALSA-N 427.501 4.156 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cc2ccccc2nc1Br 760171007 XHUYGEGTPLJJPW-UHFFFAOYSA-N 431.246 4.236 5 20 IIBD COc1ccc(C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c(Br)c1 760509716 XGBWOMKYOKSGAE-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD CN(CCOc1cccc(CNCc2ccc([N+](=O)[O-])c(Cl)c2)c1)C1CCOCC1 761519742 HFKVQNZJZPEHSK-UHFFFAOYSA-N 433.936 4.028 5 20 IIBD O=[N+]([O-])c1cc(CN(Cc2ccco2)S(=O)(=O)c2ccc(Cl)nc2)ccc1Cl 761734402 PKBDJSKUQQMWEQ-UHFFFAOYSA-N 442.280 4.281 5 20 IIBD O=C(CCC(=O)N1CCN2C(=O)OC[C@@H]2C1)c1ccc2ccc3cccc4ccc1c2c34 764148447 RBMJEADRWLXVAH-IBGZPJMESA-N 426.472 4.210 5 20 IIBD Cc1ccc(Br)c(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 764199930 YAEASEIWYYURLD-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD Cc1ccc(CNC(=O)C2CCN(Cc3c(Br)cccc3[N+](=O)[O-])CC2)cc1 769191988 XHOAMVZCVMRPIQ-UHFFFAOYSA-N 446.345 4.194 5 20 IIBD C[C@H](OC(=O)c1cc(Br)ncc1[N+](=O)[O-])C(=O)Nc1cccc2ccccc12 769841387 YHXJHKXCKIFGJK-NSHDSACASA-N 444.241 4.090 5 20 IIBD O=C1C[C@@H](C(=O)N2CCCC[C@@H]2c2ccc(F)cc2F)CN1c1ccc(F)c([N+](=O)[O-])c1 770693985 VMXMUPBWJDRTBE-BFUOFWGJSA-N 447.413 4.119 5 20 IIBD O=C1N[C@H](c2cc(F)ccc2F)C(=O)N1c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 772054675 STNZIYPCBXILSX-LJQANCHMSA-N 425.347 4.463 5 20 IIBD CCN(CC)C(=O)COc1ccc(N[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1Cl 774280048 BJFAYEQBHQVUFB-ZWKOTPCHSA-N 449.939 4.288 5 20 IIBD CC[C@H](NCc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1OCC(=O)N1CCCC1 775055859 RHGVXSXYRKVTGN-IBGZPJMESA-N 431.920 4.490 5 20 IIBD O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1cc([N+](=O)[O-])ccc1Br 778003139 BAGVJNXIEOZTEH-SNVBAGLBSA-N 442.672 4.159 5 20 IIBD CC[C@H](C)n1nc(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cc1C 778242334 VKYAUKPUWOXGDH-LPHOPBHVSA-N 442.516 4.313 5 20 IIBD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc(Cl)n1 778563330 TVIFZDDSSUHGHP-SECBINFHSA-N 431.754 4.154 5 20 IIBD O=C(OCCCn1c(O)nc2ccccc21)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781256421 FGYJPJMMMUJKLR-UHFFFAOYSA-N 449.413 4.262 5 20 IIBD CC(C)(C)OC(=O)NC1(c2noc([C@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)n2)CCCC1 781610835 TZCKOUAZLGXARM-MRXNPFEDSA-N 443.460 4.138 5 20 IIBD Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 781626749 MBSGORXGHYPDNP-HNNXBMFYSA-N 446.891 4.040 5 20 IIBD CSc1ccc(NC(=O)[C@H](C)OC(=O)c2cccc([N+](=O)[O-])c2Br)cc1 781675602 VONWHZBFLSDAFN-JTQLQIEISA-N 439.287 4.263 5 20 IIBD CC(C)[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1Br)C(=O)N1C[C@@H](C)C[C@@H](C)C1 781678650 UADRTOSJRRPXGH-IIYDPXPESA-N 441.322 4.043 5 20 IIBD COc1ccc(-c2noc([C@@H](C)OC(=O)c3ccc(Br)c([N+](=O)[O-])c3)n2)cc1 781821511 HHBWCRGZMYADJH-SNVBAGLBSA-N 448.229 4.334 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)OCc1ccccc1OCC(F)(F)F 786780785 BYIYTPFEYZBHGJ-UHFFFAOYSA-N 436.342 4.206 5 20 IIBD CCOC(=O)C1([C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)CCN(C(=O)OC(C)(C)C)CC1 788639426 BUWBYOCSXHRYTF-SJORKVTESA-N 449.548 4.214 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCc2cc(Br)ccc2C1 790990534 OJBUJTKKCLPBRI-UHFFFAOYSA-N 430.302 4.156 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCC(Oc4ccc(F)nc4)CC3)cc2[N+](=O)[O-])CC1 791162074 XCIFXWRAMFHQFT-UHFFFAOYSA-N 442.491 4.049 5 20 IIBD CC(C)Cn1ncc(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c1C1CC1 791243972 HMJULADKRFKGJQ-UHFFFAOYSA-N 447.333 4.286 5 20 IIBD COc1ccc([C@@H](OC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)[C@H](C)n2cccn2)cc1 791794380 CRRVAAFXMTZRBI-BTYIYWSLSA-N 425.441 4.276 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)O[C@H](C)c1nc(O)c2ccccc2n1 792472511 LDTJOTRSNSCKCU-SNVBAGLBSA-N 432.230 4.233 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)Nc1c(F)cccc1F 792475298 XUOZOGMRFLIIPA-VIFPVBQESA-N 443.200 4.128 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN(Cn2c(=O)oc4cccc([N+](=O)[O-])c42)C3)cs1 794638321 CEMVBCCMWJMPFS-UHFFFAOYSA-N 428.495 4.012 5 20 IIBD O=C(OCc1ccc(Cl)cc1-n1cncn1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 795529251 JGRLBEWJRWGZKH-UHFFFAOYSA-N 426.738 4.205 5 20 IIBD CC(C)(C(=O)OCc1nnc(-c2ccc(Br)o2)o1)c1ccccc1[N+](=O)[O-] 796445639 NXWRIKZEAPLYCF-UHFFFAOYSA-N 436.218 4.021 5 20 IIBD COc1cc(COC(=O)C2(c3cccnc3)CCCC2)c([N+](=O)[O-])cc1OCC(F)F 808565754 VVYTZAJPCFGIHB-UHFFFAOYSA-N 436.411 4.198 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2-c2nc(-c3cccnc3-n3ccnc3)no2)CC1 809327739 LKUQEWWXRJPWQB-UHFFFAOYSA-N 431.456 4.129 5 20 IIBD CC[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1Cl)[C@H](c1ccc(C)cc1)n1cncn1 809912495 DZQIGTJSWAFTID-BEFAXECRSA-N 428.880 4.338 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)N(CCO)Cc1ccc(Br)s1 809920145 STEYYCQRIFCIOS-UHFFFAOYSA-N 434.699 4.099 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 811533750 URYGDYALERZMJT-INIZCTEOSA-N 430.766 4.361 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1CC 813292015 IGEBNKKEKZFBFC-ZIAGYGMSSA-N 442.472 4.477 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 813305596 JCEOIWNUGDAVTE-UHFFFAOYSA-N 429.410 4.382 5 20 IIBD Cc1cc(N2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 813626488 AGDWZNZBFUSDKG-HKUYNNGSSA-N 439.516 4.196 5 20 IIBD C[C@@H](Cc1noc(-c2cc([N+](=O)[O-])ccc2C(F)(F)F)n1)N(C)C(=O)OC(C)(C)C 815675751 SYAJKKOWHSETGE-JTQLQIEISA-N 430.383 4.462 5 20 IIBD CCc1nc(C(C)C)ccc1C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 815942372 HGGPCAOEGBUZBN-MRXNPFEDSA-N 425.485 4.137 5 20 IIBD COc1cc(N2CCC(OC(=O)Cc3c[nH]c4cccc(Cl)c34)CC2)ccc1[N+](=O)[O-] 815957312 AXMUAFQUYDFKEJ-UHFFFAOYSA-N 443.887 4.493 5 20 IIBD C[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccc(C(F)(F)F)nc1Cl 817866833 NQMOJSONGYZNFG-SNVBAGLBSA-N 426.782 4.494 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)c1ccccc1C(=O)N(C)C1CCCCC1 849119502 ULQHGXAQUXGKJX-UHFFFAOYSA-N 426.469 4.365 5 20 IIBD COc1ccc(C(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1[N+](=O)[O-] 856856277 RXRICFKNDZXSNK-UHFFFAOYSA-N 446.503 4.392 5 20 IIBD COc1cc(CNc2ccccc2O[C@@H]2CC(=O)N2)ccc1OCc1ccc([N+](=O)[O-])cc1 864040094 PSNUBBWPNRXUSP-XMMPIXPASA-N 449.463 4.019 5 20 IIBD O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)s1 915827742 GLTKFOLGFMFVKT-UHFFFAOYSA-N 448.363 4.347 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Oc1cccc(C(F)(F)F)c1 917844666 ZOJQTYGKVCHEGS-UHFFFAOYSA-N 426.166 4.144 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(C(=O)N(C)C)c(Cl)c2)CC1 920014157 QPQRUYGXFMRLBV-UHFFFAOYSA-N 444.919 4.439 5 20 IIBD C[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(N2CCCC2=O)cc1 920977015 IPBGOGMDWIERJV-GFCCVEGCSA-N 434.399 4.206 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2c3ccccc3nn2C)c2ccccc2)c([N+](=O)[O-])c1 1116665002 LIOLJEDWSWRMGA-QFIPXVFZSA-N 444.447 4.327 5 20 IIBD C[C@H](NC(=O)NCc1ccccc1CNC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 1251478491 COCQEVQXBYJPSE-HNNXBMFYSA-N 428.489 4.180 5 20 IIBD CNS(=O)(=O)c1ccc([C@H](C)NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1 1251724680 NENHVNNKBSWXOQ-ZDUSSCGKSA-N 449.916 4.267 5 20 IIBD CS[C@H]1CC[C@@H](N(C)C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C1 1252197234 GKBIFWVZVNUUQD-PWSUYJOCSA-N 429.329 4.443 5 20 IIBD CN(C)C(=O)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C1 1263920410 FSMWZEDKIDYIIJ-OAHLLOKOSA-N 447.944 4.340 5 20 IIBD O=C(OCc1nnc(-c2ccc(Br)s2)o1)c1ccc([N+](=O)[O-])c(Cl)c1 1324584204 HLIWKLSHPQUIOH-UHFFFAOYSA-N 444.650 4.479 5 20 IIBD O=C(Nc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1)c1ccc([N+](=O)[O-])c(Cl)c1 1342714000 SAYWXTNTHZDKEX-UHFFFAOYSA-N 449.716 4.269 5 20 IIBD C[C@@H]1CCCN(C(=O)CCNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 1348852827 FLTLWILQYKWVLH-OAHLLOKOSA-N 445.903 4.419 5 20 IIBD Cc1[nH]ccc1C(=O)Nc1ccc(C2(NC(=O)Cc3cccc([N+](=O)[O-])c3)CCC2)cc1 1788802949 QESKGWGUWIDRLK-UHFFFAOYSA-N 432.480 4.222 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)CCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 1790187105 ZHXLQAKWBUBBSZ-WOJBJXKFSA-N 444.491 4.474 5 20 IIBD CCC[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1793276283 MUZWQUVHFWPXMC-LQRNAGDYSA-N 443.544 4.446 5 20 IIBD CCC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3F)n[nH]2)CCC1 1821054086 CTNJEPWXRXCFRZ-SFHVURJKSA-N 443.479 4.343 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)n[nH]1 1821842711 YCZDANYOKAXMGH-LIRRHRJNSA-N 445.495 4.128 5 20 IIBD C/C=C/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])n[nH]1 1823503742 SMTHVFWKQRQCSW-IXVDXBFNSA-N 435.484 4.156 5 20 IIBD CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)CC2)CCC1 1823707113 GHWWCUCYIRNCCV-FNQPIQQGSA-N 429.517 4.011 5 20 IIBD COc1ccc(Nc2nnc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)s2)cc1 10786650 BZINYVRPBDRADL-LLVKDONJSA-N 431.499 4.318 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)C2c3ccccc3Oc3ccccc32)c([N+](=O)[O-])c1 10799772 SXCPPCPNEZLZMN-UHFFFAOYSA-N 448.431 4.413 5 20 IIBD Cc1ccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(Br)c1 11029046 WLZKKCKTFAXUIP-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD CSc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1[N+](=O)[O-] 15961606 OKADKXKACVYDML-UHFFFAOYSA-N 441.431 4.424 5 20 IIBD C[C@@H]1CCN(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c2ccccc2S1 17525344 QRSXWRXNJQWKFF-CYBMUJFWSA-N 441.538 4.406 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)cc1OC 18969214 WEIBHPYGWWYEHR-UHFFFAOYSA-N 433.804 4.063 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 22196902 MPBUBPIIMVSXNG-QFIPXVFZSA-N 442.515 4.354 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3ccc4c(c3)NC(=O)CO4)cc2[N+](=O)[O-])n1 23327979 XRADUSZSLGGVNR-UHFFFAOYSA-N 442.478 4.094 5 20 IIBD COCCOc1ccc(C(F)(F)F)cc1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 27173322 VZZMQRWSZTVAPC-CYBMUJFWSA-N 441.406 4.386 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCO[C@H](c2ccc(F)cc2)C1 46576637 YXSYPJYVAJYRCS-SFHVURJKSA-N 441.381 4.155 5 20 IIBD Cc1ccccc1N1CCN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 195603115 ZAPNDEXXHYAZHV-LJQANCHMSA-N 445.523 4.434 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(CNc3ccc([N+](=O)[O-])cc3Br)cc2)C[C@@H](C)O1 301387520 XXEOUOSCDMJKFH-ZIAGYGMSSA-N 448.317 4.219 5 20 IIBD CCc1cc(NC2CCN(c3cc(C)nc(C)n3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 301545972 LAXBOFBCILSIAZ-UHFFFAOYSA-N 433.516 4.102 5 20 IIBD O=C(NC1(c2cccc(Br)c2)CC1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 303827136 KYGCFCUYWFAXOY-UHFFFAOYSA-N 428.242 4.030 5 20 IIBD COc1ccc(C(=O)Nc2cc(I)ccc2Cl)cc1[N+](=O)[O-] 389121711 MIHRLHSYJMKHIK-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1nnc(Cc2ccc(Cl)cc2)s1 426320710 YUBCEJZEMQOYFT-UHFFFAOYSA-N 427.873 4.353 5 20 IIBD O=C(Cc1csc(Cc2cccc(Cl)c2)n1)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 427433618 FQEMIZOKSSQCGM-UHFFFAOYSA-N 441.900 4.031 5 20 IIBD CC(C)[C@@H](NC(=O)CNC(C)(C)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCCO2 429258335 ULYHAAABFXWBTI-HSZRJFAPSA-N 441.528 4.094 5 20 IIBD COc1ccc(Br)c(CN(C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 429306639 IGDXHNMQLJETHE-UHFFFAOYSA-N 433.262 4.048 5 20 IIBD Cc1cc(OCC(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] 430418398 ZHEPIYUQPSZMQI-HOTGVXAUSA-N 425.485 4.039 5 20 IIBD C[C@H]1[C@@H](C)Sc2ccccc2N1C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 430666919 ZSYFZIXQELAMES-UONOGXRCSA-N 427.482 4.199 5 20 IIBD CC(C)(C)c1cc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])n(-c2ccccn2)n1 430916971 XJWACYUWNNMZNY-UHFFFAOYSA-N 444.289 4.488 5 20 IIBD C[C@H]1CN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC[S@@](=O)C1 432608178 RQTCPMHYYUFBLA-CFJPQMKISA-N 438.958 4.240 5 20 IIBD Cc1ccc([C@@H](CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)N(C)C)cc1 436317694 MSGCDSIVUMGLIM-OAQYLSRUSA-N 435.474 4.301 5 20 IIBD Cc1ccc(NCCCNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c([N+](=O)[O-])c1 444071527 GACGZTACPDQPPY-UHFFFAOYSA-N 430.464 4.130 5 20 IIBD CCc1[nH]nc(C(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)c1[N+](=O)[O-] 444295302 OKWXZXLNQAKVBO-UHFFFAOYSA-N 433.390 4.137 5 20 IIBD C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444316797 NHPRIOYURZXTCN-OPAMFIHVSA-N 429.495 4.071 5 20 IIBD Cc1c(C(=O)N2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC2)sc2ccccc12 446048716 XDSSDAAXQDODTJ-UHFFFAOYSA-N 437.521 4.035 5 20 IIBD C[C@H]1SCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)[C@H]1c1ccccc1 447038784 OWMZACJLRXCUAF-SJKOYZFVSA-N 446.472 4.481 5 20 IIBD CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 461394154 GUKXOLFEJILSQR-HNNXBMFYSA-N 433.302 4.347 5 20 IIBD CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCCO2)C1(C)C 461812591 VEAWJTRXMMZJCU-VAMGGRTRSA-N 443.548 4.062 5 20 IIBD C[C@@H](NCc1ccc([N+](=O)[O-])cc1F)c1ccc(Br)cc1OCCCO 463027353 DGIXVMDIWZOONR-GFCCVEGCSA-N 427.270 4.108 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1(c2noc([C@H]3CCOC3)n2)CCCCCC1 463949779 KAMIQVUZRYZCPJ-INIZCTEOSA-N 443.504 4.470 5 20 IIBD Cc1ccc(-c2nc(CC(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)cs2)o1 464662440 KPIWTXMOXGJFRS-UHFFFAOYSA-N 427.482 4.232 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N[C@H](c1ccccc1)c1ccc(Cl)cc1 465036355 XTIIMQFYWFZLBC-HSZRJFAPSA-N 438.867 4.468 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 465075651 AIGGMDBPHRGGIT-UHFFFAOYSA-N 437.279 4.407 5 20 IIBD O=C(NCc1cc2cc(Br)ccc2[nH]1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 466404312 MZDCPWIIUASTLM-UHFFFAOYSA-N 443.301 4.369 5 20 IIBD Cc1ccc(CNC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c(O[C@H](C)CC(C)C)c1 468576098 LXKFGUVZWGVITN-QGZVFWFLSA-N 427.501 4.280 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCCCC[C@H]3c3ncon3)cc2[N+](=O)[O-])C1 469810728 SAZOEOOJFHTMGO-MDZRGWNJSA-N 427.505 4.218 5 20 IIBD Cc1cnccc1OC1CCN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CC1 470381524 GYPLKSCOPQDIGQ-UHFFFAOYSA-N 434.290 4.053 5 20 IIBD O=C(c1cc(C(=O)N2CCCC3(CCC3)C2)cc([N+](=O)[O-])c1)N1CCCC2(CCC2)C1 470683550 BPDXGOGMMUGQRA-UHFFFAOYSA-N 425.529 4.407 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCC(OC[C@@H]2CCCCO2)CC1 475221503 XVPSKCFPHNZNOG-HNNXBMFYSA-N 431.411 4.196 5 20 IIBD C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCc2c([N+](=O)[O-])ncn2C)nnc1-c1ccco1 476489346 WLZKWMQMTCWUME-ZQDZILKHSA-N 428.518 4.469 5 20 IIBD Cc1ccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1NC(=O)N(C)C 478662333 PHHKNNVEQVDJDN-UHFFFAOYSA-N 425.470 4.373 5 20 IIBD O=C(NCc1ccc(Oc2cccc(F)c2)nc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 479696218 YCMZQQBEXRMQRN-UHFFFAOYSA-N 433.399 4.037 5 20 IIBD C[C@@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1nc2ccccc2n1C(F)F 479973469 VRLAJUCZVRIXTE-GFCCVEGCSA-N 426.383 4.016 5 20 IIBD O=[N+]([O-])c1cccc(OC[C@@H](O)Cn2c(CCOc3ccccc3)nc3ccccc32)c1 480308690 SVSUTMZBLBUPSW-IBGZPJMESA-N 433.464 4.006 5 20 IIBD COc1cc(C(=O)Nc2nc(-c3ccccc3)c(NC(C)=O)s2)cc([N+](=O)[O-])c1C 480414066 HGZITRVQOQVSKB-UHFFFAOYSA-N 426.454 4.246 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cccc(CN(C)Cc2cscn2)c1 481073937 PXBRVZMCIBGLOC-UHFFFAOYSA-N 446.554 4.101 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](c1ccccc1)c1nc2ccccc2n1C 481413303 KDDQBISEFGUKIL-QHCPKHFHSA-N 429.480 4.108 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1 481859542 FQGJVACKTYTYHL-UHFFFAOYSA-N 428.854 4.015 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cccc(NC(=O)c2ccccc2)c1 481951105 GFUZKHIGQNSSLN-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD CC(C)(C)S(=O)(=O)Cc1ccc(Nc2ncc([N+](=O)[O-])cc2Br)cc1 485181618 UUNOSYCUXIHPHJ-UHFFFAOYSA-N 428.308 4.209 5 20 IIBD COc1cc(C)cc(C)c1S(=O)(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C 485397442 WBNRDYOOOYFUOW-UHFFFAOYSA-N 429.292 4.092 5 20 IIBD COC(=O)c1c(Br)ccc(NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1C 486195719 UHGJNMNRYICEET-UHFFFAOYSA-N 447.245 4.114 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)c1 488393556 SGJOBHJVHKGSRK-AWEZNQCLSA-N 440.905 4.081 5 20 IIBD CCn1c(S[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 489388179 MKRNIZHIIHEBRC-GOSISDBHSA-N 441.488 4.124 5 20 IIBD C[C@@H]1CSCCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 489538956 DNSAZWPDZRVYJL-KRWDZBQOSA-N 436.537 4.202 5 20 IIBD CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 490096522 QZFAWWOHFXHFTC-VOXLTAEOSA-N 429.542 4.017 5 20 IIBD CCOCCOc1ccc(Br)cc1NC(=O)c1ccc([N+](=O)[O-])cc1F 491576401 WDQKVWNVQBFBEN-UHFFFAOYSA-N 427.226 4.164 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC[C@H](c1ccco1)N1CCCCC1 492088828 XEKNKKFOMXEXFX-QGZVFWFLSA-N 440.422 4.233 5 20 IIBD Cc1ccc(NC(=O)[C@@H](Oc2ccc(S(C)(=O)=O)cc2)c2ccccc2)c([N+](=O)[O-])c1 498059363 FDVNIMGAIFCPSX-NRFANRHFSA-N 440.477 4.066 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2cnccc2Oc2ccccc2)cc1[N+](=O)[O-] 499651873 ZPFDDZGBVIDGTQ-UHFFFAOYSA-N 448.464 4.314 5 20 IIBD CCc1cc(N(C)C2CCN(CCc3ccccn3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 500560769 YGJYWAWMXRXQNB-UHFFFAOYSA-N 446.555 4.153 5 20 IIBD COCC1(CCNC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CCC1 501868021 DXLMJWKBMLKDMS-UHFFFAOYSA-N 442.537 4.484 5 20 IIBD COc1ccc(CSCC(=O)Nc2cccc(Cl)c2-n2cccn2)cc1[N+](=O)[O-] 502935082 KVYZVAZJOKLNSR-UHFFFAOYSA-N 432.889 4.314 5 20 IIBD COc1ccc(CSCC(=O)Nc2nnc(CC3CCCCC3)s2)cc1[N+](=O)[O-] 504566414 RLQLMWJINUJWIF-UHFFFAOYSA-N 436.559 4.450 5 20 IIBD COc1cc(OCC(=O)Nc2c(C)cccc2-c2nc(C(C)C)no2)ccc1[N+](=O)[O-] 505091802 BSOMGHPYOXVGKM-UHFFFAOYSA-N 426.429 4.103 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(N[C@H]2CCOc3c(Cl)cccc32)c([N+](=O)[O-])c1 505583013 XXFHBMJRGAZWMB-INIZCTEOSA-N 439.921 4.214 5 20 IIBD CSc1ccc(C(=O)Nc2ccc(C(=O)N3CCSCC3)cc2C)cc1[N+](=O)[O-] 506300299 JLZUXGBAJOYWTE-UHFFFAOYSA-N 431.539 4.066 5 20 IIBD CCc1cc(=N[C@H](c2ccc(F)cc2)c2nccn2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 507101378 DLXAGECDWUQOJK-OAQYLSRUSA-N 432.459 4.110 5 20 IIBD CC(C)(C)c1csc(C2CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)CC2)n1 511385965 CYQWXOGLJPLVTI-UHFFFAOYSA-N 431.514 4.140 5 20 IIBD CCOc1ccc(C2=CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCCO)CC2)cc1 512143498 GKODIQIGJCFHPF-UHFFFAOYSA-N 428.510 4.007 5 20 IIBD O=C(Nc1ncc(Cc2cccc(Br)c2)s1)c1ccc([N+](=O)[O-])c(O)c1 513358262 HEFAUUTWYIVEGG-UHFFFAOYSA-N 434.271 4.363 5 20 IIBD Cc1c(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)cnn1-c1ccc(Br)cc1 514704333 ZTVQDRARXYLCQS-UHFFFAOYSA-N 427.258 4.054 5 20 IIBD COc1ccc(OC)c([C@H]2CCCN2C(=O)CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 516298265 CTAYAZLSGQEQOJ-JOCHJYFZSA-N 441.528 4.186 5 20 IIBD C[C@@H](CN1CCCC1=O)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 518986018 WPIRXANRWOICIG-ZDUSSCGKSA-N 433.917 4.140 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N(Cc1cccc(Br)c1)C1CC1 520073818 URYZCSWEERDYCI-UHFFFAOYSA-N 445.722 4.364 5 20 IIBD O=[N+]([O-])c1cc(CNCc2ccc(N3CCOCC3)nc2)ccc1Oc1ccc(F)cc1 520954137 BENDBZNYYPVTJS-UHFFFAOYSA-N 438.459 4.048 5 20 IIBD CCOC(=O)c1cc(C(=O)N[C@H](Cc2ccc(C)cc2)c2ccccn2)cc([N+](=O)[O-])c1 522333972 CIOBKAANSABLJA-JOCHJYFZSA-N 433.464 4.189 5 20 IIBD O=C(NC[C@@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1)Nc1cccc(F)c1 522881020 HRLSSFCNWOIDGE-ZDUSSCGKSA-N 434.855 4.061 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccc(C(=O)Nc2ccccn2)c1 523975708 MXQXTMLLGHRLSP-UHFFFAOYSA-N 440.843 4.303 5 20 IIBD COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CCc2cc([N+](=O)[O-])ccc21 524625882 KJACKSAKUAIPQX-MRXNPFEDSA-N 433.302 4.142 5 20 IIBD COc1cc(C(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc([N+](=O)[O-])c1OC 525045360 RYNLFRWYRTUJSN-OAHLLOKOSA-N 449.463 4.355 5 20 IIBD COc1cc(C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)cc([N+](=O)[O-])c1OC 525541843 NFYDHISPPAQXEX-UHFFFAOYSA-N 435.436 4.425 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](c2nc3ccccc3s2)C1 532626818 JLEHQLCLDRNITL-OAHLLOKOSA-N 440.525 4.421 5 20 IIBD CCn1cc(CN(C)[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cn1 533303335 OVRAXZYIZAPXDV-HXUWFJFHSA-N 427.892 4.276 5 20 IIBD COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCCc1cccc([N+](=O)[O-])c1 534732730 YFABTCUBJQCVSN-UHFFFAOYSA-N 442.475 4.429 5 20 IIBD Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534796215 HPWARFYIGKFBBI-PRSFHMQYSA-N 441.509 4.073 5 20 IIBD C[C@H]1CN(CCC2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)C[C@H](C)O1 537619995 MPMYKWHVYVXENV-ROUUACIJSA-N 444.601 4.430 5 20 IIBD CCc1nc2ccccc2n1C1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 537918040 WDDROGBWKFOAJG-UHFFFAOYSA-N 444.495 4.170 5 20 IIBD Cc1cc(Br)c(S(=O)(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)s1 538452039 FDGHUEDPNBNCJP-UHFFFAOYSA-N 428.289 4.076 5 20 IIBD O=C(CCc1cc(Br)ccc1F)NCCc1ccc(Cl)cc1[N+](=O)[O-] 538693702 MZXFBTMTGIABOY-UHFFFAOYSA-N 429.673 4.441 5 20 IIBD CCC(=O)N1CCC[C@@H](C(=O)N(CC(C)C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)C1 539351010 FPPJEWYWHZIKRT-MRXNPFEDSA-N 444.557 4.356 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(CN2CCO[C@@H](C)C2)c1 540435336 IGRDAMBOYYDAAT-KRWDZBQOSA-N 443.569 4.246 5 20 IIBD COc1cc(CNc2ccc(Br)cn2)c([N+](=O)[O-])cc1OCC(F)(F)F 540808010 NNGKTNSCCNUYFT-UHFFFAOYSA-N 436.184 4.314 5 20 IIBD O=[N+]([O-])c1ccc(CNCc2ccc(Br)cc2N2CCOCC2)c(Cl)c1 541556175 PBHVRQVEDMTTCB-UHFFFAOYSA-N 440.725 4.137 5 20 IIBD Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)C2)cc1 542603664 LIMRPLAWPSGCRN-DLBZAZTESA-N 442.491 4.206 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)c1 542728845 TXMGSXFAAHHVCK-UHFFFAOYSA-N 439.493 4.289 5 20 IIBD COc1ccc(N2C(=O)C3(CCCC3)N[C@@H]2c2ccc([N+](=O)[O-])cc2Cl)cc1OC 544044142 BYIDPGDXTBSEQO-IBGZPJMESA-N 431.876 4.213 5 20 IIBD Cc1cc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)n(-c2ccc(C(F)(F)F)cn2)n1 544423277 NICHLPIIZAJAQR-NSHDSACASA-N 437.353 4.384 5 20 IIBD CN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 544484121 ZJYXZXZUGDSUAE-NZQKXSOJSA-N 441.503 4.329 5 20 IIBD CC(C)(C(=O)Nc1ccccc1I)c1ccc([N+](=O)[O-])cc1F 545122118 VVSSEXRVLKGJAK-UHFFFAOYSA-N 428.201 4.255 5 20 IIBD O=C1c2ccccc2C(=O)N1Cc1cccc(-c2nc(Cc3ccccc3[N+](=O)[O-])no2)c1 545533883 KNTGPRHBRVDXME-UHFFFAOYSA-N 440.415 4.032 5 20 IIBD COc1cc(Cc2noc(/C=C/c3cccc(OC)c3OC(F)F)n2)ccc1[N+](=O)[O-] 545783798 CIOSCILSACAIHU-VQHVLOKHSA-N 433.367 4.358 5 20 IIBD Cn1nc(-c2ccccc2)nc1Cc1noc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 545843318 SGAMUQAJLSEGHI-UHFFFAOYSA-N 445.464 4.155 5 20 IIBD COc1cc(-c2noc(Cc3cccc([N+](=O)[O-])c3C)n2)ccc1OC[C@H]1CCCO1 546284023 HYORJCGTQDDERI-QGZVFWFLSA-N 425.441 4.110 5 20 IIBD Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c(C)c1 555842789 NETMEHSMDLOCJE-UHFFFAOYSA-N 448.317 4.302 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1SC 557115275 RDKZCEWJPDSWLT-HSZRJFAPSA-N 441.553 4.064 5 20 IIBD O=C1[C@@H](Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CCN1c1cccc([N+](=O)[O-])c1 558593753 WQOREXZTCSWWET-KRWDZBQOSA-N 431.374 4.017 5 20 IIBD C[C@@]1(c2ccc(Br)s2)NC(=O)N(Cc2ccc(Cl)cc2[N+](=O)[O-])C1=O 562890382 WXEQCTIBMZDBNM-HNNXBMFYSA-N 444.694 4.039 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1nccn1-c1ccccc1 564020761 PYNDVWPZWWBHAS-CYBMUJFWSA-N 429.274 4.342 5 20 IIBD O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CC[C@H](C(F)(F)F)[C@H](CO)C1 565485034 NWAMYUMRLTYIAH-KSSFIOAISA-N 440.443 4.379 5 20 IIBD CC(=O)c1ccc(OC[C@@H](O)COc2ccc(Cl)cc2Br)c([N+](=O)[O-])c1 574049414 DJLAGKFBDAHVKY-ZDUSSCGKSA-N 444.665 4.032 5 20 IIBD CC(C)(Cc1ccc(Br)cc1)NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 574551984 PEDGDHYTAIPDEU-UHFFFAOYSA-N 448.317 4.266 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(COc2ccc(F)cc2)c1 579045484 PIJRGTUQMBIDBK-UHFFFAOYSA-N 437.427 4.453 5 20 IIBD CN(C(=O)c1ccncc1)c1ccc(-c2noc(-c3c[nH]c4cc([N+](=O)[O-])ccc34)n2)cc1 580139846 PSUAOIZHDMQQCA-UHFFFAOYSA-N 440.419 4.465 5 20 IIBD Cc1ccc(-c2noc(C(C)(C)c3ccc([N+](=O)[O-])cc3F)n2)c(N2CCOCC2)c1 584139058 PZJXBMWMPCWGRK-UHFFFAOYSA-N 426.448 4.255 5 20 IIBD Cc1nc2cccc(-c3noc(-c4cc(I)cc([N+](=O)[O-])c4)n3)c2[nH]1 585731379 DXICIAMEGRGPOU-UHFFFAOYSA-N 447.192 4.101 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 587803019 ROOKTYLJKPHFIW-JEDBISTDSA-N 430.888 4.047 5 20 IIBD Cc1cc(OCc2nc(-c3ccccc3NC(=O)c3ccccn3)no2)ccc1[N+](=O)[O-] 589121885 MXBIAMLLLCHBBX-UHFFFAOYSA-N 431.408 4.180 5 20 IIBD COc1cccc(Oc2ccc(NS(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc2)c1 603985348 DSSLPYMNQHDVGS-UHFFFAOYSA-N 430.438 4.205 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)N(C(=O)C(C)(C)C)CCO2 604087574 VLNZWKJWQKIZLW-UHFFFAOYSA-N 426.473 4.030 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)N[C@H](C)CC)cc2C)cc1OC 604457571 SNJGOSNIXFIGKM-CQSZACIVSA-N 429.473 4.091 5 20 IIBD COc1ccc(COCCCNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 608945369 JBBXNWWZXJJAGC-UHFFFAOYSA-N 441.528 4.176 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCc3ccnc(-n4cccn4)c3)c([N+](=O)[O-])c2)cc1 608972867 KFCZBLVCZIKLLF-UHFFFAOYSA-N 428.452 4.348 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)N2CC[C@H](c3ccco3)C2)cc1[N+](=O)[O-] 609529195 LBHYEPVVTAUTKR-KRWDZBQOSA-N 433.464 4.115 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 609789203 IHQCIVKHXTVGOF-HNAYVOBHSA-N 443.525 4.022 5 20 IIBD C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 610037387 GICSZCHHIOPBLG-INIZCTEOSA-N 438.553 4.388 5 20 IIBD Cc1ccc(NC(=O)N2CCN(C(=O)c3sc4ccccc4c3C)CC2)cc1[N+](=O)[O-] 610162968 ANKQFABUXIJKHV-UHFFFAOYSA-N 438.509 4.416 5 20 IIBD CSCc1nc2ccccc2n1CC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 610210456 SGZPGEPUXFMDQA-HXUWFJFHSA-N 428.539 4.082 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 611562230 VRQKUIXWZRTZLX-ZHRRBRCNSA-N 449.511 4.241 5 20 IIBD COc1cc(C(=O)NC(C)(C)CC(F)(F)F)c([N+](=O)[O-])cc1OCc1cscn1 615032583 WSNYIPYMWZHSNT-UHFFFAOYSA-N 433.408 4.100 5 20 IIBD Cc1ccc(-c2csc(NC(=O)[C@H]3CC(=O)N(c4ccccc4F)C3)n2)cc1[N+](=O)[O-] 619729455 DRTDXMCYJIISLE-AWEZNQCLSA-N 440.456 4.157 5 20 IIBD CC(C)N(C)Cc1cccc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 620269616 BTIQHIFLUABPBU-UHFFFAOYSA-N 427.548 4.311 5 20 IIBD CC[C@@H](C)n1ncc2c(C(=O)O[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)cc(C)nc21 725956968 GJDBFKNRNJZUKZ-UKRRQHHQSA-N 439.472 4.111 5 20 IIBD O=C(N[C@@H]1C[C@@H]1c1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 726566868 BIIMRRQBOFGGPC-SJLPKXTDSA-N 430.302 4.243 5 20 IIBD O=C(CCc1cccc(F)c1F)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727330107 MCYSFGMZCLXHBF-UHFFFAOYSA-N 443.372 4.173 5 20 IIBD Cc1ccccc1NC(=O)[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727436563 DPPMRZQXUDGLOF-OAHLLOKOSA-N 436.434 4.071 5 20 IIBD COc1ccc(CC(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)cc1[N+](=O)[O-] 727662309 JIHDGEBJDYJDDM-UHFFFAOYSA-N 435.484 4.160 5 20 IIBD COc1ccc(CC(=O)O[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1[N+](=O)[O-] 727882974 KCSPKKSNWKISNW-QFIPXVFZSA-N 438.411 4.208 5 20 IIBD O=C(COC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)Nc1cc([N+](=O)[O-])ccc1F 727932637 VANNNVYHLCAARM-VXGBXAGGSA-N 427.215 4.326 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)cc1[N+](=O)[O-] 728006212 JQMIIGZGRPHVPZ-UHFFFAOYSA-N 425.441 4.331 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 730503631 QDNQXEXINPLNIR-XMMPIXPASA-N 436.439 4.344 5 20 IIBD CN1C(=O)CC[C@@H](C(=O)OCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 734388888 KOJLWNSSTMNLOX-MJGOQNOKSA-N 436.386 4.267 5 20 IIBD C[C@@H](c1ccccc1)N1CCC(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 734782681 GGOKLPIOMIJUTD-AWEZNQCLSA-N 432.318 4.313 5 20 IIBD CCCOc1cc(NC(=O)N[C@H]2CCCc3nc(C)ncc32)c([N+](=O)[O-])cc1OCCC 734927133 HPFOPSJIKQIPNU-KRWDZBQOSA-N 443.504 4.470 5 20 IIBD CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 735397816 FILJKLDSQIELEJ-FRIZHTMISA-N 430.457 4.009 5 20 IIBD COc1ccc([C@@H]2[C@@H](COC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CCC(=O)N2C)cc1 737339002 GSNLZSPXNXENTI-JLTOFOAXSA-N 432.860 4.023 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(N3CCSCC3)cc2)cc1[N+](=O)[O-] 741580527 WGTFHUDPDFJEGD-UHFFFAOYSA-N 433.555 4.029 5 20 IIBD CCOc1ccc(NCc2cccc([N+](=O)[O-])c2C)cc1S(=O)(=O)N1CCCCC1 742257772 IZFMELKWEXTGOX-UHFFFAOYSA-N 433.530 4.089 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 742408120 WMSYDPVNYBFTCY-AWEZNQCLSA-N 436.390 4.261 5 20 IIBD Cc1cc(NC(=O)c2cc(OCc3ccccc3)ccn2)n(-c2ccc([N+](=O)[O-])cc2)n1 742621692 SVUQLBZARNKCOA-UHFFFAOYSA-N 429.436 4.315 5 20 IIBD C[C@@H](C(=O)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 747113378 IJPQOHPUCUDKJT-MRVPVSSYSA-N 437.688 4.164 5 20 IIBD COc1ccc(I)c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 747678827 FPROVJZFAGLNBY-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD Cc1c(C(=O)NCc2ccccc2CN2CCCC[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748621089 GTDXWWVBYIPIEF-HNNXBMFYSA-N 440.500 4.424 5 20 IIBD O=C(O[C@@H]1CCN(c2cccc(Cl)c2)C1=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 750341024 RRHKJOFJIQCUHI-QGZVFWFLSA-N 443.868 4.334 5 20 IIBD O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1cc(C2CC2)nn1-c1ccccc1 750426539 FGKQLAUNIQPPTJ-UHFFFAOYSA-N 447.495 4.126 5 20 IIBD CC(C)(C)OC(=O)N1CCc2c(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)cccc21 753781858 CEIOIQQVCSDQBM-UHFFFAOYSA-N 436.468 4.486 5 20 IIBD O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cc(F)cc([N+](=O)[O-])c1Br 754638300 DHXRMWFRMDCHHZ-QGZVFWFLSA-N 436.281 4.063 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N(Cc1ccccc1)C[C@@H](O)c1cccs1 755759660 ZNBUYHCDPKEWGH-OAQYLSRUSA-N 448.504 4.218 5 20 IIBD CCc1noc(C)c1COC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 758030397 OEYHRHHUUSRIHE-UHFFFAOYSA-N 425.228 4.303 5 20 IIBD COc1ccc2cc(CN(C)C(=O)[C@H](C)OC(=O)c3ccc(F)cc3[N+](=O)[O-])ccc2c1 758119525 YQIJYMKUQBIFFW-AWEZNQCLSA-N 440.427 4.100 5 20 IIBD Cc1coc(-c2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(Br)c3)c2)n1 758452546 FYQIBNJJIVBDPL-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD O=C(NCC[C@@H](O)c1ccc(Cl)c(Cl)c1)NCc1cc([N+](=O)[O-])ccc1Cl 758959274 HBZUIKDGHNEEPI-MRXNPFEDSA-N 432.691 4.478 5 20 IIBD Cc1ccc(-c2ncco2)cc1NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 759102005 KFCQMOYEDFUHNE-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD C[C@H](C(=O)O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccc(Br)s1 759930395 JENWMEQGMQHVFI-SRVKXCTJSA-N 428.308 4.446 5 20 IIBD Cc1cc(C(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)c(Br)s1 761132595 PPSVSAKBFNCXLW-UHFFFAOYSA-N 440.319 4.196 5 20 IIBD Cc1nn(CN2CCO[C@H](c3ccccc3Br)C2)c2cc([N+](=O)[O-])ccc12 761292300 YUAJMIPUFWVQMT-IBGZPJMESA-N 431.290 4.046 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3c[nH]c4cc([N+](=O)[O-])ccc34)n2)c(Br)c1 762262750 RRIJEJPFORRKRL-UHFFFAOYSA-N 444.201 4.388 5 20 IIBD O=C(OCc1cn2cccnc2n1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 762821711 DUIVPJDBOZGXTG-UHFFFAOYSA-N 437.843 4.260 5 20 IIBD COC(=O)c1sc2[nH]c(/C(Cl)=C\c3ccc([N+](=O)[O-])c(Cl)c3)nc(=O)c2c1C 763173870 FKUSTCUJSJBDIM-UXBLZVDNSA-N 440.264 4.378 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Oc2cnccc2-c2ccccc2)ccc1Br 766154984 OOCQRFATBOMUQC-UHFFFAOYSA-N 435.255 4.187 5 20 IIBD Cc1cc(-c2noc(COC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)n2)ccc1F 767243138 BWPFLHBTTJUIPS-UHFFFAOYSA-N 440.431 4.052 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 769623536 OVRHALNXQYJFJX-UHFFFAOYSA-N 449.448 4.461 5 20 IIBD CSc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 770156920 LNDNLHRYGMTWQL-SNVBAGLBSA-N 439.287 4.263 5 20 IIBD COCCOc1ccc(Cl)cc1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 770330869 MKBXPQKSNSFLRS-UHFFFAOYSA-N 429.654 4.288 5 20 IIBD C[C@@H]1C[C@H](CNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 771327925 WVMWPGULCKOMPX-ZIAGYGMSSA-N 431.876 4.045 5 20 IIBD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NC[C@@H](O)c2cccc(OCc3ccccc3)c2)n1 774222025 BGKZRUHDEAZOAA-DNVJHFABSA-N 436.512 4.177 5 20 IIBD Cc1ncsc1/C=C/C(=O)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 777235620 AXLWWRTZMHGBDV-KBOKABMXSA-N 429.498 4.001 5 20 IIBD COc1cc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c([N+](=O)[O-])cc1OCC(F)F 779085978 DEOCAZMRPZHHIE-LBPRGKRZSA-N 425.388 4.315 5 20 IIBD COc1cc(/C=C\C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc(Br)c1O 781097341 HQXDTRPBCJYCRQ-WTKPLQERSA-N 435.274 4.136 5 20 IIBD O=C(COC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)Nc1ccc(F)c(F)c1 781258182 XZURVCOJVPXQPB-UHFFFAOYSA-N 444.340 4.033 5 20 IIBD O=C(Nc1ccc(N2CCc3sccc3C2)cc1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781636006 ORPWWJFJTALCII-NRFANRHFSA-N 448.504 4.351 5 20 IIBD COCc1nc(COC(=O)c2cc([N+](=O)[O-])ccc2Sc2nc(C)cs2)cs1 782060222 BTVPQGVYIQKZHI-UHFFFAOYSA-N 437.524 4.471 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)c1nc(-c2cccc(F)c2)no1 782171608 ATAJOBVAOMPDAV-SECBINFHSA-N 435.209 4.037 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)Cc2nc(-c3ccc(F)cc3)cs2)cccc1[N+](=O)[O-] 787007096 BZPGCALPVOVXJJ-ZDUSSCGKSA-N 443.456 4.279 5 20 IIBD COc1cc(CN(C)C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c(SC)cc1OC 790555763 OQWCQRFLBTWNAD-UHFFFAOYSA-N 442.896 4.328 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])CC2)CC1 791039603 UPYZABHSDFCFNR-UHFFFAOYSA-N 446.548 4.037 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(N2CCOC2=O)c1 791049596 LPILXNWIPKGMAW-UHFFFAOYSA-N 438.209 4.014 5 20 IIBD COc1ccc(-c2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nc2)cc1Cl 791880458 GBVKCSRCVJHOOO-UHFFFAOYSA-N 428.788 4.479 5 20 IIBD O=C(Nc1ccccc1C(=O)OC[C@@H]1CCC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1Cl 795286353 JBAREDDUFHOOAB-UKRRQHHQSA-N 432.860 4.208 5 20 IIBD Cc1cc2sc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(Br)c3)nc2cc1F 795668088 MQAOABORUYNIQT-UHFFFAOYSA-N 446.279 4.215 5 20 IIBD C[C@H](c1ccccc1)N(C1CC1)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 796122039 FSQZUWYVORTVAK-GFCCVEGCSA-N 425.304 4.272 5 20 IIBD C[C@H](OC(=O)[C@H](C)[C@@H]1OCCc2sccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 796479450 DFMLWSHGJBGXBL-RLFDGXBXSA-N 438.889 4.130 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] 799374998 UXMYEYSNTRXROW-DLBZAZTESA-N 434.537 4.301 5 20 IIBD C[C@@H](OC(=O)c1sc(N2CCOCC2)nc1-c1ccccc1)c1ccccc1[N+](=O)[O-] 799563171 PUMRTJUCNCAIAN-OAHLLOKOSA-N 439.493 4.473 5 20 IIBD CCCCOc1ccc([C@H](C)NC(=O)C(=O)Nc2c(F)ccc([N+](=O)[O-])c2C)cc1OC 800599830 XVFMVWLJOMZEJQ-AWEZNQCLSA-N 447.463 4.046 5 20 IIBD O=C1CCC(COC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1 803256450 DOSXBFBCOOWYLJ-UHFFFAOYSA-N 428.407 4.133 5 20 IIBD CN(CC(=O)Nc1c(F)cc(Cl)cc1F)c1cc(Br)ccc1[N+](=O)[O-] 808699030 QNDDZVHKOZKUSR-UHFFFAOYSA-N 434.624 4.364 5 20 IIBD Cc1cc(=O)oc2cc(N(C)S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)ccc12 809845580 QFXYWCGBFWDOJX-UHFFFAOYSA-N 443.264 4.142 5 20 IIBD O=C(NCCCOC1CCN(Cc2ccccc2)CC1)Nc1cccc([N+](=O)[O-])c1Cl 809918423 UUJJKZYDJTTYRO-UHFFFAOYSA-N 446.935 4.441 5 20 IIBD CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 810427490 KAGSPCMUFFMJQX-LEWJYISDSA-N 445.560 4.317 5 20 IIBD COc1ccc(/C=C\C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1OC 811217543 TVEGQLQDEQEPFG-CLFYSBASSA-N 426.450 4.492 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2cc(C(F)(F)F)cc(Cl)n2)cccc1[N+](=O)[O-] 811230901 YRYLNQIDGFVODL-VIFPVBQESA-N 431.754 4.154 5 20 IIBD COc1ccc(NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1-n1nnnc1C1CC1 811471081 CGGLQQQOPBFCQD-UHFFFAOYSA-N 435.271 4.375 5 20 IIBD COc1ccc([C@@H](Cc2ccccc2)NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1 812308199 HLBICOMALQDVTM-JOCHJYFZSA-N 430.464 4.053 5 20 IIBD O=C(O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)c1cncc(-c2ccc3c(c2)CCO3)c1 813173343 ZQCABIROKREEHV-QHCPKHFHSA-N 445.475 4.023 5 20 IIBD O=C(NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 813255299 HGJFVGVUOSNCMW-UHFFFAOYSA-N 440.765 4.333 5 20 IIBD Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c(C(=O)NCC(F)(F)F)cc1F 813289205 PHSNUTSJSBKJNQ-UHFFFAOYSA-N 433.745 4.240 5 20 IIBD Cc1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c(Br)c1 815405654 DNUOAZQKZARWPS-UHFFFAOYSA-N 441.665 4.423 5 20 IIBD COc1cc(C(=O)N(C)[C@@H]2CC(C)(C)OC2=O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 817076552 OPZQTVXLFOXNNN-OAHLLOKOSA-N 448.859 4.215 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)N[C@H](c1ccccc1)C1CC1 831686343 UAFBYWNVRFZDNA-HSZRJFAPSA-N 437.496 4.009 5 20 IIBD CCN(Cc1ccccc1)C(=O)[C@H](C)OC(=O)Cn1c2ccccc2c(=O)c2ccccc21 841975914 WCFODTCBYQSVBR-IBGZPJMESA-N 442.515 4.135 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1cc(C2CC2)[nH]n1 913344917 CVVJGHIFZFNAHI-IBGZPJMESA-N 440.843 4.386 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccccc1C(=O)c1ccccc1 914885323 ZHMUKILSXXJNNZ-UHFFFAOYSA-N 429.388 4.233 5 20 IIBD COc1cc([C@@H](C)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccncc1 916493393 QPXDAUMZLAFBGC-JSNVTFDYSA-N 433.464 4.468 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccc(O[C@@H](C)c2ccccc2)nc1 919215530 POHSXCRIIZKGBD-INIZCTEOSA-N 435.436 4.234 5 20 IIBD Cc1c(C(=O)N2CCO[C@H](c3ccc(Cl)s3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 1116167302 BMLBHDLWHSYKKA-ZDUSSCGKSA-N 425.850 4.048 5 20 IIBD O=C1Nc2ccccc2[C@@H]1C1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 1318772076 KMMHGMDUDXNDEZ-QFIPXVFZSA-N 436.512 4.075 5 20 IIBD CC(C)S(=O)(=O)N(C)C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 1321227282 MABANVNLEUFLRK-UHFFFAOYSA-N 428.919 4.210 5 20 IIBD CC(=O)Nc1ccc(C2(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3C)CCC2)cc1 1787815899 OOQNWFXCAQHTRR-UHFFFAOYSA-N 446.301 4.433 5 20 IIBD C[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C2)c1ccccc1 1801752279 JWKBVLQKDBWABH-OQIJWPOYSA-N 439.487 4.180 5 20 IIBD CC(C)C(=O)N1CCCC2(CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC2)C1 1809004361 KUYQBTNCQHOWFF-UHFFFAOYSA-N 429.542 4.310 5 20 IIBD CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1826406982 AJUDMZXJOOIAMN-YVNCXZRQSA-N 427.545 4.274 5 20 IIBD O=C(C1=CCCC1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830617269 WPFLQSHBYZSIHZ-HXUWFJFHSA-N 429.492 4.078 5 20 IIBD CSc1ccc(C(=O)OCC(=O)c2cc(C)n(Cc3ccco3)c2C)cc1[N+](=O)[O-] 9621099 SRIWOSSWPSOKEQ-UHFFFAOYSA-N 428.466 4.416 5 20 IIBD CCOc1ccc(C(=O)N2CCN([C@H](C)c3nc4ccccc4s3)CC2)cc1[N+](=O)[O-] 23922116 JMWQYSAVSBKSCO-OAHLLOKOSA-N 440.525 4.122 5 20 IIBD CCN1CCN(c2ccc(NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)c(C)c2)CC1 25187109 ZLLQLCYTLJVHPY-KRWDZBQOSA-N 428.558 4.164 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1 60401276 KHIZYKXONZXINS-UHFFFAOYSA-N 443.506 4.126 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)N(C)c1ccc(F)cc1 64300403 UZHGXIBLXOBKQS-UHFFFAOYSA-N 443.456 4.120 5 20 IIBD CCOc1cc(NC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)c([N+](=O)[O-])cc1OCC 65439486 ARRCHPPGAYMQTG-WMZOPIPTSA-N 442.516 4.349 5 20 IIBD CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 98072494 OCEKQFDHDRSSCJ-UHFFFAOYSA-N 445.884 4.326 5 20 IIBD Cc1cc(C)cc(N(C)C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 108430150 WNLUBFCFKGRARD-UHFFFAOYSA-N 440.477 4.256 5 20 IIBD COc1ccccc1[C@H](CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1)N1CCCCC1 195702509 YCLMJUPMVRRLKM-IBGZPJMESA-N 429.542 4.282 5 20 IIBD CCCn1nccc1C1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1 410263747 FLSFLVNVLLGFCT-UHFFFAOYSA-N 439.560 4.457 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(F)c(Br)cc2Cl)c(F)c1 410400413 ZMZJEXMCHKQTTE-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD Cc1ccc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)c(Cl)c1 427128363 LAGNTXNGOBXRKT-UHFFFAOYSA-N 437.886 4.098 5 20 IIBD COc1ccc(Br)c(CN(C)C(=O)c2ccc(SC)c([N+](=O)[O-])c2)c1 428196445 KLCYTXVGKYOWSM-UHFFFAOYSA-N 425.304 4.360 5 20 IIBD Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 430396199 SHHSHGYQSJPDQV-UHFFFAOYSA-N 425.485 4.292 5 20 IIBD CCOC(=O)c1ccc2c(c1)CCCN2C(=O)c1cc(Br)cc([N+](=O)[O-])c1 432755811 FFLOVYUMOYLDNF-UHFFFAOYSA-N 433.258 4.127 5 20 IIBD O=C(NCc1nccn1CCCc1ccccc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 434377113 KWLNUOGLHJZLGZ-UHFFFAOYSA-N 447.520 4.478 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)Cc2nccn2C(F)F)c([N+](=O)[O-])c1 434680663 XAQMBSYUYNQAIX-LJQANCHMSA-N 429.427 4.307 5 20 IIBD Cn1ccnc1[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccccc1F 435938703 SDJKMNSODSZKCU-JOCHJYFZSA-N 426.451 4.073 5 20 IIBD CC(C)Cn1ccc2cc(NC(=O)C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)ccc21 437058746 XRCKFCIGKTUULI-UHFFFAOYSA-N 434.496 4.335 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H](OC2CCOCC2)c2ccccc2)c1 437816070 QLLTWFAFJRUNAF-VFNWGFHPSA-N 430.526 4.372 5 20 IIBD COc1ccc(COCc2cccc(NC(=O)C(=O)Nc3cc([N+](=O)[O-])ccc3C)c2)cc1 438744169 CEHPDQAVFCFQMB-UHFFFAOYSA-N 449.463 4.206 5 20 IIBD CC(C)NC(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 438785640 LYRGJEOYFFRSDE-UHFFFAOYSA-N 447.300 4.232 5 20 IIBD CCCCOC1CCN(C(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])CC1 440843516 NAQQYSROCBPZJU-UHFFFAOYSA-N 449.529 4.060 5 20 IIBD CC(C)n1cc2c(n1)C[C@H](NC(=O)c1cc(F)cc3c(=O)c4cccc(F)c4[nH]c13)CC2 444251102 UVNSCJWMCCHCEA-OAHLLOKOSA-N 436.462 4.024 5 20 IIBD COC(=O)c1ccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(OC)c1 444383076 OWAAKSIOHRLOGO-UHFFFAOYSA-N 444.387 4.140 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC1(c2ccc(C(F)(F)F)cc2)CC1 445172600 KBTFHPOHIUFIDG-UHFFFAOYSA-N 435.402 4.017 5 20 IIBD CC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 446995442 XVJSXVMEUUBXLH-UHFFFAOYSA-N 437.783 4.026 5 20 IIBD Cc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)nnn1CC1CCCC1 448135606 VXHKJUJIJPOUTQ-UHFFFAOYSA-N 433.468 4.168 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)Cc2cc(C)nn2-c2ccccc2)cc1SC 448177493 HJVDCUBTCBXKEW-AWEZNQCLSA-N 440.525 4.180 5 20 IIBD COc1cc(C(=O)Nc2ccc(Br)c(F)c2)c([N+](=O)[O-])cc1OC(F)F 460400622 LJUYXJYOGBCIQG-UHFFFAOYSA-N 435.152 4.359 5 20 IIBD C[C@@H]1[C@@H](C(F)(F)F)CCCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCOC1 461577497 MNRGMEGETDSOLU-KEYYUXOJSA-N 439.438 4.057 5 20 IIBD CNc1c(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)cccc1[N+](=O)[O-] 462755193 OLQLZLKBRCVBSR-UHFFFAOYSA-N 434.290 4.083 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F 464723028 KZAPSMGTKMNEAO-QGZVFWFLSA-N 433.411 4.002 5 20 IIBD C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC2(CCOCC2)O1 468493746 XVIBULBUGZBCCO-MRXNPFEDSA-N 428.510 4.156 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3C[C@H](C)O[C@@]4(CCO[C@@H]4C)C3)cc2[N+](=O)[O-])cc1 468516909 QOBLXKQJZPZGOT-MFEFFIJZSA-N 442.537 4.463 5 20 IIBD CCCCCn1c(SCCn2cc([N+](=O)[O-])cn2)nc2sc3c(c2c1=O)CCC3 470846356 BGZLGRSUAREXHR-UHFFFAOYSA-N 433.559 4.034 5 20 IIBD O=[N+]([O-])c1cn(C[C@H](O)COc2ccc(Oc3ccccc3)cc2)nc1-c1ccncc1 470879845 LJMDVIVIZPJHCX-SFHVURJKSA-N 432.436 4.086 5 20 IIBD CCc1cc(=NC(=O)c2ccc(OCCOC)cc2Cl)c2cc([N+](=O)[O-])ccc2[nH]1 472404453 MYTROXPNFORSPM-UHFFFAOYSA-N 429.860 4.058 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c1[N+](=O)[O-] 480218064 NHYVKSQOSCIODD-UHFFFAOYSA-N 431.495 4.326 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CN3CCC(O)(Cc4ccc(F)cc4)CC3)cs2)c1 482295265 LFBUPMDRSLHZMQ-UHFFFAOYSA-N 427.501 4.427 5 20 IIBD CCOc1cc(C(=O)N(CC)Cc2cccc(Br)c2)c([N+](=O)[O-])cc1OC 482509055 UBRGONSBBSJKRZ-UHFFFAOYSA-N 437.290 4.427 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 483096182 CDTWNZLVRIRCGV-GOSISDBHSA-N 432.498 4.143 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)Nc2ccccc2OC)CC1 484459996 RBXKXHIROIXKRG-UHFFFAOYSA-N 443.525 4.206 5 20 IIBD O=C(O)c1ccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1Cl 484520229 MABOYOLWSXXBPN-UHFFFAOYSA-N 425.633 4.054 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CCOc3cc(Cl)c(Cl)cc32)cc([N+](=O)[O-])c1 484655870 RKFOGDBBJWUCLD-UHFFFAOYSA-N 425.224 4.118 5 20 IIBD O=C(N[C@@H]1CCCc2c[nH]nc21)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 484740823 XQUKSIIEDOBINS-GOSISDBHSA-N 425.876 4.391 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 485482687 YHXQBSBLOFEKEJ-UHFFFAOYSA-N 431.514 4.109 5 20 IIBD O=C(CCOc1ccccc1Br)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 486719023 FPHWLPUIRBQZFV-UHFFFAOYSA-N 447.207 4.461 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CC[C@H](OCc2ccncc2)C1 486726659 VWXQIXIFIMKUSN-NRFANRHFSA-N 432.480 4.033 5 20 IIBD Cc1ccc(-n2cnc3c2CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C3)cc1 487556255 HXZKNGBAAFJQHG-UHFFFAOYSA-N 439.903 4.053 5 20 IIBD COc1cc(C(=O)NCc2coc3ccccc23)c([N+](=O)[O-])cc1OCc1cscn1 488910868 AEFCIDJYZQDTTP-UHFFFAOYSA-N 439.449 4.315 5 20 IIBD O=C(NC1CCCCC1)C1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 495529946 LXNYUEGERICXJK-UHFFFAOYSA-N 442.541 4.019 5 20 IIBD CCCN(C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@@H](C)c1cc2ccccc2o1 498432281 ATAOOFQSQAYRMS-INIZCTEOSA-N 438.484 4.140 5 20 IIBD CCOC(=O)c1ncc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)s1 499530619 LEHOEMSQVVLNQL-UHFFFAOYSA-N 426.454 4.092 5 20 IIBD CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1c(N)cccc1[N+](=O)[O-] 499562732 TUCNMBRMLAJQMO-UHFFFAOYSA-N 441.509 4.488 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cnc(N3CCCC[C@@H]3C)c(C)c2)cc1OC 503234134 QIZUAPHGZNAVKU-HNNXBMFYSA-N 428.489 4.337 5 20 IIBD CC(C)Oc1cc(CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C2CC2)ccn1 504889676 QPWWQALSGUKLTB-UHFFFAOYSA-N 434.290 4.344 5 20 IIBD CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 504912556 XLSIFNZILZOYAK-WOJBJXKFSA-N 427.570 4.289 5 20 IIBD CCc1ccc(C(=O)N2CCN(c3cc(CC)nc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)cc1 507092242 ABGXDVVZFCDIJI-UHFFFAOYSA-N 445.523 4.139 5 20 IIBD CCCc1[nH]nc(C(=O)NCC2(c3ccc(Br)cc3Cl)CC2)c1[N+](=O)[O-] 507094921 OYAGIXGOKWWORP-UHFFFAOYSA-N 441.713 4.148 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@H]3CCOc4c(Cl)cccc43)cc2)c(C)c1[N+](=O)[O-] 507902363 MYOCFKKOZDFSNR-IBGZPJMESA-N 440.887 4.363 5 20 IIBD CCOC(=O)CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@H](C)c1cccc(Br)c1 508316470 LJHUKFDKHIJVBR-LLVKDONJSA-N 441.303 4.185 5 20 IIBD Cc1ccc(Br)cc1-c1noc(CSc2ccc(C(N)=O)cc2[N+](=O)[O-])n1 508585916 DZOCYDGHUGDTPX-UHFFFAOYSA-N 449.286 4.107 5 20 IIBD COc1ccc(NC(=O)C(=O)N(Cc2c(Cl)cccc2Cl)C2CC2)cc1[N+](=O)[O-] 508987257 MCPCJDUTIITXNK-UHFFFAOYSA-N 438.267 4.040 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(-n3cncn3)c(F)c2)cc1 509481297 SQECOVLNBZQWNZ-UHFFFAOYSA-N 449.398 4.368 5 20 IIBD CN(CCCCCc1cc(-c2ccccc2)no1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 509677775 HUKCHGWVEOGFAW-UHFFFAOYSA-N 429.498 4.283 5 20 IIBD CC[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(Cl)s1 513072147 YYYYETZAWDFVDK-SECBINFHSA-N 433.820 4.117 5 20 IIBD CCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC 515623226 FUHHDNDEZLFFCG-UHFFFAOYSA-N 434.392 4.212 5 20 IIBD CCOc1cc(N2CCN(c3cc(COC)nc4ccc(F)cc34)CC2)ccc1[N+](=O)[O-] 516899724 JQBYNSMEHBCQJY-UHFFFAOYSA-N 440.475 4.154 5 20 IIBD O=C(NCC1(N2CCCCC2)CCCCC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 517303462 QLCSZZREEOYDOZ-UHFFFAOYSA-N 443.466 4.455 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCC(C(=O)N(C)C(C)C)CC2)cc1[N+](=O)[O-] 517868974 QKTATJXNDCSVAU-UHFFFAOYSA-N 435.590 4.452 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 519023228 FDKJWLAXTLFBQG-UHFFFAOYSA-N 449.555 4.048 5 20 IIBD CC[C@@H](c1ccccc1OC)N(C)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 519556825 HASBDJPLLLDRLR-PZJWPPBQSA-N 439.512 4.126 5 20 IIBD COCCN([C@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] 519890737 NWZPXNPAQYZTLY-CQSZACIVSA-N 446.447 4.320 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)c1cccc(N2CCCC2=O)c1 520503984 SDGJVKNANAYNAF-KBPBESRZSA-N 431.876 4.020 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NC3CCN(C[C@H]4CCOC4)CC3)c([N+](=O)[O-])c2)cc1 522903427 NHVFBLXVQOHLFA-GOSISDBHSA-N 438.528 4.068 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc3cccnc23)ccc1[N+](=O)[O-] 523223446 COYVLUIBMYXZPN-IBGZPJMESA-N 438.871 4.348 5 20 IIBD CC(C)Cc1ccc([C@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C2CC2)cc1 523938458 OBZBLFRHRWUYBL-QHCPKHFHSA-N 437.544 4.171 5 20 IIBD O=C(N[C@H]1COc2ccccc2C1=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 535508535 RGCGHEXOOUWZIV-KRWDZBQOSA-N 438.823 4.414 5 20 IIBD O=C(CC[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Nc1ccc(Cl)cc1 535512366 YHANXGOGXYHKIV-LJAQVGFWSA-N 433.873 4.181 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 535986281 FHAKHAKDSONKBL-YOEHRIQHSA-N 432.249 4.357 5 20 IIBD CC(C)CCc1nc(CS(=O)(=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cs1 536305905 TZOKHKWIPWTRNE-UHFFFAOYSA-N 435.527 4.410 5 20 IIBD O=[N+]([O-])c1ccc(Sc2nnc(N3CCCC3)n2Cc2ccco2)cc1OC(F)F 536532516 ZQKCEUPECSZUMA-UHFFFAOYSA-N 437.428 4.180 5 20 IIBD CC1(C)CN(C(=O)C2CC2)CCN1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 538433757 WRNXVILMHOJPIF-UHFFFAOYSA-N 439.537 4.219 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2cccc(COCc3ccccc3)c2)s1 538743480 HSDBFDVSNIKCAZ-UHFFFAOYSA-N 432.523 4.389 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 541706318 SPEDXPPCHFHGAG-SUMWQHHRSA-N 425.363 4.377 5 20 IIBD Cc1cc(-c2nc(C3CC3)no2)ccc1NS(=O)(=O)c1c([N+](=O)[O-])ccc(C)c1C 542236389 YJTPJKKXZKKFGV-UHFFFAOYSA-N 428.470 4.248 5 20 IIBD O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 545340204 XYQCVRHMMQNCCK-AVRDEDQJSA-N 443.475 4.207 5 20 IIBD O=[N+]([O-])c1cccc(-n2ccc(-c3nc(-c4ccc(OC5CCOCC5)cc4)no3)n2)c1 547210972 ZMHCUOLCHDCGQK-UHFFFAOYSA-N 433.424 4.055 5 20 IIBD CCn1cc(N[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)cn1 547244097 HPNCXRVZCMJMKA-GOSISDBHSA-N 444.289 4.366 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(COc4cccc(Br)c4)n3)c2c1 547266704 DKHNZAMFWZCVJS-UHFFFAOYSA-N 429.230 4.391 5 20 IIBD Cc1ccc2nc(COc3ccc(C(=O)N(C)CCc4cccc([N+](=O)[O-])c4)cc3)cn2c1 548921079 AACMKSNNLDARTG-UHFFFAOYSA-N 444.491 4.445 5 20 IIBD CC(C)NS(=O)(=O)Cc1ccccc1CNc1c(Cl)cc([N+](=O)[O-])cc1Cl 561112476 MTKKQKBRCLEJFN-UHFFFAOYSA-N 432.329 4.342 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 561194791 VXAKNXHDLRSWOH-QYZOEREBSA-N 430.888 4.048 5 20 IIBD O=C(NC1CC1)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)ccc1Cl 565612583 KBBYFHSHZLZQAE-UHFFFAOYSA-N 427.766 4.412 5 20 IIBD CN1CC[C@H](NCCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]1c1ccc(Cl)cc1 568803336 OCQVDYXIWVNLKI-UGKGYDQZSA-N 426.904 4.481 5 20 IIBD COc1cccc(OC(F)(F)F)c1CN[C@H](c1ccc([N+](=O)[O-])cc1)c1nccn1C 571933031 RRQUBSQJVJRVGM-GOSISDBHSA-N 436.390 4.115 5 20 IIBD O=C1C[C@@H](c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)CN1c1ccccc1Cl 576676411 GHNVLOYTPCCNIA-CYBMUJFWSA-N 437.843 4.224 5 20 IIBD O=C(Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 589372726 AEYLIPHXHHNZLN-UHFFFAOYSA-N 431.374 4.390 5 20 IIBD COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 589764561 UKEOJSBABRTKKO-LJQANCHMSA-N 428.510 4.144 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1Cc1ccccc1)NC[C@@H]1CCN(c2ccccc2)C1 603909339 GUTKCYSSBHVVGJ-NRFANRHFSA-N 445.519 4.207 5 20 IIBD CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)cc1 608837689 XZUSTMVPZSHVQB-UHFFFAOYSA-N 427.438 4.435 5 20 IIBD O=C([C@@H]1CCCN(Cc2ccccc2)C1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 608870601 KHCQVYADMPOMKQ-LJQANCHMSA-N 435.446 4.398 5 20 IIBD COc1ccc(S(=O)(=O)Nc2nc3c(C(F)(F)F)cccc3s2)cc1[N+](=O)[O-] 608929195 NMLUOSQRDZKRTQ-UHFFFAOYSA-N 433.389 4.033 5 20 IIBD CNc1ccc(C(=O)Nc2cccc(CS(=O)(=O)Cc3ccccc3)c2)cc1[N+](=O)[O-] 609702554 FSSUVNRBBVYIFY-UHFFFAOYSA-N 439.493 4.004 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1 609730440 JPNUBHWFUFIPLB-NDEPHWFRSA-N 436.555 4.285 5 20 IIBD CSC[C@](C)(O)CNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 609998499 FVPXBYJPHQJYQM-LJQANCHMSA-N 449.579 4.200 5 20 IIBD COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C1 610198870 QYBVNZNWGFNKGY-CQSZACIVSA-N 448.903 4.369 5 20 IIBD O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 610292828 INIBZCVYNXGLHE-NSHDSACASA-N 429.345 4.148 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 611345854 ZZCUSTTVYOYKHJ-CQSZACIVSA-N 449.429 4.138 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccccc1)C[C@@H](O)C(F)(F)F 611579354 VFXGLMCCXKJPGR-SUMWQHHRSA-N 428.432 4.027 5 20 IIBD COc1ccc(NC(=O)N(C)CCCc2cc(-c3ccc(F)cc3)no2)cc1[N+](=O)[O-] 611823772 SWTVVHMIBSMTDV-UHFFFAOYSA-N 428.420 4.494 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ncccc1OCc1cccc(Cl)c1 619507259 VOFUQSBQODFHMB-UHFFFAOYSA-N 449.872 4.032 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCO[C@H](c2ccccc2Br)C1 725808521 KEQQWZZQBBKWCF-IBGZPJMESA-N 448.317 4.068 5 20 IIBD COc1ccc(NC(=O)COC(=O)CCc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 725978874 ROISKDBXRYSUAW-UHFFFAOYSA-N 427.240 4.025 5 20 IIBD O=C(OCCCc1nc(-c2ccccc2)no1)c1cc([N+](=O)[O-])ccc1Br 725984876 CQVQYPLACLQVOF-UHFFFAOYSA-N 432.230 4.197 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Oc2ccc(Oc3ccccn3)cc2)ccc1[N+](=O)[O-] 726501509 YDPAZLBDAQXMOI-NRFANRHFSA-N 447.447 4.301 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(Cc3nnc(-c4c(Cl)cccc4Cl)o3)CC2)cc1 726596311 RRBMOTUNJWDXOL-UHFFFAOYSA-N 434.283 4.274 5 20 IIBD O=C(NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F)Nc1ccc([N+](=O)[O-])cc1Cl 726875484 CQECJNISBCIVHB-OAHLLOKOSA-N 438.189 4.473 5 20 IIBD COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)c(Br)c1 727094682 HEFLAZPADQUDOK-UHFFFAOYSA-N 430.052 4.381 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2c(Cl)nc3sccn23)c(-c2cccs2)c1 727757208 KMLIKVVIMGNBFB-UHFFFAOYSA-N 441.899 4.454 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)CN1C(=O)N[C@@](C)(c2ccc(F)cc2Cl)C1=O 728899537 WGHPOYOBAUHFCQ-NRFANRHFSA-N 448.882 4.022 5 20 IIBD O=C1OC(c2c(Cl)cccc2[N+](=O)[O-])=N/C1=C/c1cc([N+](=O)[O-])ccc1OC(F)F 730957729 IQDMIMOFWZOMNL-YRNVUSSQSA-N 439.714 4.102 5 20 IIBD O=C(CSc1nnc(-c2ccc3ccccc3c2)o1)OCC(=O)c1cccc([N+](=O)[O-])c1 731709928 KXIKGSOYSCTBNZ-UHFFFAOYSA-N 449.444 4.316 5 20 IIBD CC(C)Oc1ccc([C@H](O)CNc2ccc(I)cc2[N+](=O)[O-])cc1 734831883 DUXNGVUJPSOIRK-QGZVFWFLSA-N 442.253 4.132 5 20 IIBD Cc1oc(-c2ccccc2F)nc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 738672846 XHQVEZBHSSCRAV-UHFFFAOYSA-N 433.779 4.146 5 20 IIBD CN(C)c1ccc(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cc1F 743861640 MBFDFZXSYRXOBD-SFHVURJKSA-N 443.475 4.042 5 20 IIBD COC(=O)c1cc2cc(COC(=O)c3ccc([N+](=O)[O-])cc3Br)ccc2o1 745074080 OSVLOIWMKXTGLB-UHFFFAOYSA-N 434.198 4.247 5 20 IIBD CC(=O)N(c1ccc(C)cc1)c1nc(COC(=O)Cc2cccc([N+](=O)[O-])c2)cs1 745334594 JDNSSWAZVJIAHH-UHFFFAOYSA-N 425.466 4.330 5 20 IIBD COc1ccncc1NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 748284834 SDLOSSLBANYLAZ-UHFFFAOYSA-N 426.816 4.156 5 20 IIBD CCOc1ccc(NC(=O)c2ccc(NC(=O)c3cc(C)cc([N+](=O)[O-])c3N)cc2)cc1 749331167 DYVOJWCWPRJLGA-UHFFFAOYSA-N 434.452 4.389 5 20 IIBD O=C(NCc1ccc(Oc2ccccc2)nc1)c1ccc(Br)c([N+](=O)[O-])c1 749533453 ULIANJDKVYRYMF-UHFFFAOYSA-N 428.242 4.475 5 20 IIBD C[C@@H](COc1cccc(F)c1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 749568076 AVDQDUOWKIAGSK-VIFPVBQESA-N 431.645 4.347 5 20 IIBD O=C(NCCCn1cnc2ccccc21)c1cc(Br)cc([N+](=O)[O-])c1Cl 749568747 SKPNMQGLIVEJLQ-UHFFFAOYSA-N 437.681 4.181 5 20 IIBD O=[N+]([O-])c1ccc(NC(=S)NC2CCN(Cc3coc(-c4ccccc4)n3)CC2)cc1 751038309 DPULXQMGVFKTNM-UHFFFAOYSA-N 437.525 4.201 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] 751416675 IYWWEQUKFXMZQA-MSOLQXFVSA-N 447.532 4.144 5 20 IIBD CCOc1cc(Cl)ccc1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 752393355 GJBVYLKHFSMYHU-UHFFFAOYSA-N 431.645 4.479 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(O[C@H]3CCCC[C@@H]3O)cc2)cc1[N+](=O)[O-] 753080635 RSXFCFKZAOLCEZ-ROUUACIJSA-N 440.905 4.040 5 20 IIBD Cc1ccccc1[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)[C@H](C)CO1 755013200 IKCKDASCDVOQQP-PXAZEXFGSA-N 437.265 4.407 5 20 IIBD CCCCNC(=O)c1ccc(CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1 755030098 LPPWKCCBRRYTEF-UHFFFAOYSA-N 449.305 4.209 5 20 IIBD C[C@H](C(=O)O[C@H](C)c1nc2cc(Br)cnc2[nH]1)c1ccc([N+](=O)[O-])cc1F 755665912 SVZKFHSVESFJHC-DTWKUNHWSA-N 437.225 4.176 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)[C@H](C)CSc2ccc(F)cc2)c([N+](=O)[O-])c1 756713310 FBEBOVLGWSMAAC-OLZOCXBDSA-N 436.461 4.041 5 20 IIBD COc1ccc2cc(CN(C)C(=O)COC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)ccc2c1 756767559 JBBUTLCWYNTCKX-UHFFFAOYSA-N 447.447 4.053 5 20 IIBD CC(C)N(Cc1nc(O)c2ccccc2n1)C(=O)c1cccc([N+](=O)[O-])c1Br 757863313 BEXBKZWEBRZASQ-UHFFFAOYSA-N 445.273 4.057 5 20 IIBD CN1CCC(N(C)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3Br)cc2)CC1 758100224 GGNUQLRJRNJIFJ-UHFFFAOYSA-N 447.333 4.140 5 20 IIBD O=C(CCc1ncc(-c2ccccc2F)o1)O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 759950578 SMDXARLKHOIZTF-SJORKVTESA-N 428.420 4.245 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCC(=O)N(Cc1ccco1)c1ccccc1 761180990 MVFCVMQEWJRVMU-MRXNPFEDSA-N 440.477 4.445 5 20 IIBD Cc1ccc(-c2noc(-c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)n2)cc1[N+](=O)[O-] 761639589 YLGBZTMFWSOTCO-UHFFFAOYSA-N 434.412 4.390 5 20 IIBD CC(=O)c1ccc(Cl)c(NC(=O)c2cc([N+](=O)[O-])ccc2I)c1 762342197 IXTAPSUAVJFQND-UHFFFAOYSA-N 444.612 4.308 5 20 IIBD Cc1ccc(NC(=O)C2(CNC(=O)c3cc(F)c([N+](=O)[O-])cc3F)CCCC2)cc1C 763505877 PSDIBGJOPDQXHS-UHFFFAOYSA-N 431.439 4.419 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 764278777 ATAAFFBJZPNWQS-UHFFFAOYSA-N 431.470 4.299 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)c2nc(-c3cccc(F)c3)no2)cc1OC 771913783 ZBLLGUJRNZIWJK-NSHDSACASA-N 431.376 4.109 5 20 IIBD COCCc1nc(C)c([C@H](C)OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)s1 773923374 SOIHUCUJLZLFNI-INIZCTEOSA-N 436.533 4.413 5 20 IIBD CC(C)(C)OC(=O)N1Cc2ccc(CN[C@@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)cc2C1 774368508 PBPXJPZZWLTDPX-WOJBJXKFSA-N 441.532 4.316 5 20 IIBD Cc1cccc(C)c1-n1nnnc1COC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C 775088175 APXOXDPQHSVUKH-UHFFFAOYSA-N 427.486 4.045 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(OC(F)F)c2cccnc12 775294816 VOXTUWDXRJXVFK-UHFFFAOYSA-N 429.788 4.199 5 20 IIBD Cc1cc(=O)oc2cc(OCC(=O)O[C@@H](c3cccnc3)c3ccccc3[N+](=O)[O-])ccc12 776134528 CPENVUBCSRUUAI-DEOSSOPVSA-N 446.415 4.116 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776137520 ADIQXDICXPOFPO-FQEVSTJZSA-N 425.422 4.323 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2nc(C)sc2-c2ccccc2)c([N+](=O)[O-])c1 778855511 MODLVSPQNJWNLC-GFCCVEGCSA-N 441.465 4.219 5 20 IIBD CC(C)(C)[C@@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1cccs1 778886213 BUZZOZADPXFWMI-INIZCTEOSA-N 442.440 4.318 5 20 IIBD O=C(Nc1cccc(CC[C@@H](O)c2ccccc2)c1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 782005505 AYUAKPFKBBECJN-DNQXCXABSA-N 445.475 4.393 5 20 IIBD COc1ccc(-c2noc([C@@H](C)OC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1 782035184 KJEFNYSJHYQEDH-CQSZACIVSA-N 438.440 4.172 5 20 IIBD Cn1c([C@H]2CCCN2C(=O)c2cccc([N+](=O)[O-])c2Br)nc2ccccc21 782168784 DHEKUZMURDFPSZ-MRXNPFEDSA-N 429.274 4.221 5 20 IIBD O=C(Cc1csc(NC(=O)c2cccs2)n1)OCc1cc(Cl)ccc1[N+](=O)[O-] 782309547 SLQUJSOUTGGGMY-UHFFFAOYSA-N 437.886 4.304 5 20 IIBD C[C@@H](OC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccc(Br)c1 783573205 GEJYRZDURWBFCM-SNVBAGLBSA-N 441.665 4.045 5 20 IIBD CC(=O)OCCc1cccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)c1 783616486 UBLRELCGUQFHLJ-UHFFFAOYSA-N 441.665 4.369 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 783888935 FKNHITCJKZIPFV-UHFFFAOYSA-N 444.919 4.224 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(C)CCN(C(=O)OC(C)(C)C)CC1 784430782 BVNHRCLYRXPIJR-HNNXBMFYSA-N 437.562 4.229 5 20 IIBD O=C(Oc1cc(Br)cc(F)c1F)C1CCN(c2ccccc2[N+](=O)[O-])CC1 786229096 ZVSLZMUKYXARDC-UHFFFAOYSA-N 441.228 4.458 5 20 IIBD O=[N+]([O-])c1cc(Br)c(F)cc1OC[C@H](O)c1ccccc1Br 790140474 UDNUCBZOQLVDAU-ZDUSSCGKSA-N 435.043 4.371 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@H](O)c1ccc(-c2ccccc2)cc1 790937858 HSMMKRJHTBBXSU-NRFANRHFSA-N 428.847 4.447 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)Nc2sc3c(c2C(=O)c2ccncc2)CCC3)c1F 790968439 CECIVMIZSZCARM-UHFFFAOYSA-N 425.441 4.471 5 20 IIBD COc1ccc(-c2ncc(C(=O)OCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])s2)cc1OC 792186668 RXFRXGBLUWXBLP-UHFFFAOYSA-N 445.409 4.001 5 20 IIBD COc1cccc(C2(C(=O)Oc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)CC2)c1 794845493 AFOGOYUNTBDKQO-UHFFFAOYSA-N 432.432 4.493 5 20 IIBD COc1c(C(=O)OCC(=O)Nc2ccc(N3CCc4ccccc43)cc2)cccc1[N+](=O)[O-] 796312098 NXAPFBOEIHXSRB-UHFFFAOYSA-N 447.447 4.093 5 20 IIBD CCCc1nc(C)c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)o1 796563380 GHYJPDBYVCLBMH-SNVBAGLBSA-N 429.351 4.047 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 798541871 XNVWAVFNKVEAIS-SFHVURJKSA-N 429.473 4.068 5 20 IIBD CC1(C)C[C@@H](OC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c2ccccc2O1 799434318 NODMVBOFXDKRPO-GDBMZVCRSA-N 430.482 4.107 5 20 IIBD COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C 800564576 LBMYLRGRSLUGBK-UHFFFAOYSA-N 431.452 4.465 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCS[C@@H](c3ccccc3)C2)c(Cl)cc1Cl 809817459 BRZFRYFJNBOYQC-OAHLLOKOSA-N 433.338 4.380 5 20 IIBD C[C@]1(CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)OCCc2sccc21 810198850 KMMBCOUCKHGSFN-MRXNPFEDSA-N 426.292 4.028 5 20 IIBD O=C(COC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1ccc(C(F)(F)F)nc1Cl 811165479 KIYKKGNQIGBTRJ-UHFFFAOYSA-N 427.722 4.183 5 20 IIBD O=C(NC[C@@H]1CSCCN1Cc1ccccc1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813232107 KUDMVPBDAJNPKH-OAHLLOKOSA-N 440.352 4.249 5 20 IIBD Cc1cc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C(=O)NCC(F)(F)F)cc1F 813290277 AUGNRNVVUUDUMQ-NSHDSACASA-N 427.354 4.077 5 20 IIBD Cc1cc2n(n1)[C@H](C(F)(F)F)CCN2C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 813374058 RFWVLGWXWAIBSY-KRWDZBQOSA-N 437.422 4.244 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C(=O)Nc1ccc(C(F)(F)F)cc1 814485084 VQRBUDLVUMKGNE-JTQLQIEISA-N 443.353 4.003 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1[C@H](O)c1ccccn1 819595839 PDLPMXQXMXFTEE-IBGZPJMESA-N 442.269 4.395 5 20 IIBD COc1cc(CCNC(=N)N[C@H](C)c2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OC 849056968 JOFJRSGOSIJHMD-LLVKDONJSA-N 441.315 4.336 5 20 IIBD COc1cc(COC(=O)c2cccn2Cc2ccccc2)c([N+](=O)[O-])cc1OC(F)F 900491961 PRHLHSGFNSQWIZ-UHFFFAOYSA-N 432.379 4.412 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2ccccc2SC(F)(F)F)c([N+](=O)[O-])c1 914946730 WCGKPCBWFJCBHU-UHFFFAOYSA-N 430.360 4.011 5 20 IIBD C[C@H](OC(=O)c1cc(-c2ccccc2Cl)[nH]n1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 914997437 FCMBJHAMTQOLAB-JTQLQIEISA-N 449.250 4.476 5 20 IIBD CCC(C)(C)NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1 915249045 DDLUCHCPTGKOFV-AWEZNQCLSA-N 430.457 4.246 5 20 IIBD CCc1c(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1Cc1ccccc1 915526621 PTITWWACKAQPED-OAHLLOKOSA-N 447.451 4.370 5 20 IIBD COc1cc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)ccc1NC(=O)OC(C)(C)C 916432464 WPHBNWPOVRXXKY-UHFFFAOYSA-N 446.416 4.419 5 20 IIBD Cc1nc2nc(=S)n(CN(Cc3ccccc3[N+](=O)[O-])CC(F)(F)F)n2c(C)c1C 917451542 VNGZHCXOUIPNST-UHFFFAOYSA-N 440.451 4.116 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2COc2ccc(Cl)cc2)c(Cl)c1 917880182 ZBMLUOCKZFFFLK-AWEZNQCLSA-N 431.297 4.134 5 20 IIBD Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)c3cc([N+](=O)[O-])ccc3Cl)C2=O)cc1 929086596 OVQCXRMJCTWSQW-LICLKQGHSA-N 445.884 4.023 5 20 IIBD COc1cccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])c1Br 1256053129 BMBSAQQMZBVTMZ-UHFFFAOYSA-N 436.081 4.442 5 20 IIBD Nc1c(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc(Br)cc1[N+](=O)[O-] 1256674338 PEBJZEDZMQTIJC-UHFFFAOYSA-N 445.273 4.101 5 20 IIBD CC(C)COc1cn(-c2ccccc2)nc1-c1nnc(COc2ccccc2[N+](=O)[O-])o1 1261428628 VKNJWTSHJKMNSN-UHFFFAOYSA-N 435.440 4.444 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCC(CN3C(=O)c4ccccc4C3=O)CC2)cc1[N+](=O)[O-] 1319498591 HLURQVHIYOYDHL-UHFFFAOYSA-N 449.507 4.041 5 20 IIBD COc1cc(-c2nnc(COc3ccccc3[N+](=O)[O-])o2)cc(OC)c1Br 1322779044 OEJANJBLNUVINC-UHFFFAOYSA-N 436.218 4.004 5 20 IIBD CC(C)n1cc2c(n1)[C@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CCC2 1325540324 SAHODYBHVMFOOF-MRXNPFEDSA-N 439.438 4.387 5 20 IIBD Cc1ccc(-c2nnc(N(Cc3ccccc3[N+](=O)[O-])C3CC3)n2C[C@H]2CCOC2)cc1 1346328135 QLTKHQXBVKWVCD-GOSISDBHSA-N 433.512 4.367 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)c3cncs3)CCC2)cc1 1785792674 WDODNRHXDJKKDN-UHFFFAOYSA-N 436.493 4.042 5 20 IIBD C[C@@]1(C(=O)NC2(c3ccc(NC(=O)c4ccc(O)c([N+](=O)[O-])c4)cc3)CCC2)CC1(F)F 1790620857 PGEPFXAKBNZCTC-FQEVSTJZSA-N 445.422 4.093 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccsc2)[nH]n1)c1ccc([N+](=O)[O-])cc1F 1821050841 AXEGWWABDJSTEN-KRWDZBQOSA-N 443.460 4.138 5 20 IIBD CC1(C)CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC2)C1 1830615969 SLKUIBWDLWSJOR-NRFANRHFSA-N 445.535 4.403 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CC2(CCCN2C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)C1 1843934956 WKUYBOMPYDDIEX-YUFNLNHPSA-N 441.528 4.011 5 20 IIBD Cc1ccc(CC(=O)N2CCCC23CN(C(=O)Cc2ccc(C(C)C)cc2)C3)cc1[N+](=O)[O-] 1845206118 FZORAHBAPFZJCS-UHFFFAOYSA-N 449.551 4.015 5 20 IIBD Cc1csc(SCc2ccc(C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)n1 9785213 HHXZKQWXAQXXER-UHFFFAOYSA-N 443.506 4.448 5 20 IIBD COCCN(C(=O)COc1ccc(C)c(C)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 14790610 VSSIVLOHHHGHLT-UHFFFAOYSA-N 441.509 4.394 5 20 IIBD COC(=O)c1ccc(C)c(NC(=O)CNc2cc([N+](=O)[O-])ccc2Nc2ccccc2)c1 15333073 WXIGOYHGTNKQCC-UHFFFAOYSA-N 434.452 4.484 5 20 IIBD COc1ccc(Cl)cc1CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br 15551073 NNSDYMLRRBDRKJ-UHFFFAOYSA-N 442.697 4.090 5 20 IIBD C[C@@H](OC(=O)[C@H]1COc2ccc(Cl)cc2C1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 16796662 GVFVZFPKLOUKKW-ZYHUDNBSSA-N 439.251 4.023 5 20 IIBD C[C@H](Sc1ncc2ccccn12)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 26371175 XXMKVFPIDYYVOQ-LBPRGKRZSA-N 425.495 4.485 5 20 IIBD COc1ccccc1Nc1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 28787216 QGXBHEQWYPLKGT-UHFFFAOYSA-N 431.499 4.238 5 20 IIBD Cc1ccc(S(=O)(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1[N+](=O)[O-] 32442228 BAPMUGZYMIFPJF-MRXNPFEDSA-N 439.493 4.195 5 20 IIBD COc1ccc(CN(C)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1OC(F)F 33079140 VIRHXSNTIVZETP-UHFFFAOYSA-N 435.427 4.077 5 20 IIBD CN(Cc1cc(Br)ccc1F)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] 63736387 CLIZVAGUFNTQLQ-UHFFFAOYSA-N 447.264 4.097 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 110487185 WSZYPFNZHAPJMI-DJJJIMSYSA-N 443.912 4.334 5 20 IIBD CC(C)C[C@@H](C)Oc1cc(CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)ccn1 217134052 FDDRKUOIIPHXLJ-MRXNPFEDSA-N 437.500 4.134 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(I)ccc1Br 227851525 OTZDXDDHIXKAAL-UHFFFAOYSA-N 447.026 4.214 5 20 IIBD CCc1nn(C)c(N2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)c1[N+](=O)[O-] 301929256 JKZICMBRDXZQIN-UHFFFAOYSA-N 438.463 4.237 5 20 IIBD O=[N+]([O-])c1cncc(Br)c1N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 301940521 UIQLUGYWQMQHEZ-AEFFLSMTSA-N 431.334 4.243 5 20 IIBD CC1CCN([C@H](CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1 410085432 BOEFVCYMFZJYGZ-HSZRJFAPSA-N 447.539 4.198 5 20 IIBD COc1c(Cl)cc(Cl)cc1CN[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)O 426737263 NFZDNNGTCWBOKH-KRWDZBQOSA-N 438.267 4.177 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CCC[C@@H]2CCC2CCCC2)cc1[N+](=O)[O-] 427099726 HWGBPSUHXVJKTG-QGZVFWFLSA-N 429.546 4.450 5 20 IIBD CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 429112205 IHYJFJBCHINMNP-QGZVFWFLSA-N 449.458 4.110 5 20 IIBD CCc1cc(=NC(=O)c2ccccc2COC2CCOCC2)c2cc([N+](=O)[O-])ccc2[nH]1 432998609 QWXQEDYDNNRQMD-UHFFFAOYSA-N 435.480 4.075 5 20 IIBD O=C(c1cc(C2CC2)nc2ccc(Cl)cc12)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 434276591 NHUYLDMENAAIEE-HNNXBMFYSA-N 437.887 4.395 5 20 IIBD O=C1Cc2cc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3Sc3cccs3)ccc2N1 435136775 HDWSWQXDWQNIGK-UHFFFAOYSA-N 447.519 4.103 5 20 IIBD COc1cc(NC(C)=O)ccc1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 435441304 FCUPFXLIOGFVMD-UHFFFAOYSA-N 443.403 4.311 5 20 IIBD O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436085799 VFYMOWNWCWPSCL-SFHVURJKSA-N 447.485 4.354 5 20 IIBD Cc1ccc([C@H](CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)N2CCCC2)o1 436333497 JWSMQDOCPUYIMB-FQEVSTJZSA-N 433.483 4.289 5 20 IIBD CCOC(=O)[C@@H](C)NC(=O)c1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 437252684 RMIURRSHGLVWHI-OAHLLOKOSA-N 437.452 4.148 5 20 IIBD Cc1c(CC(=O)N[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cccc1[N+](=O)[O-] 439065783 KAWHCESQSYWVHH-OAQYLSRUSA-N 432.455 4.492 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H](c2c[nH]c3ccccc23)C(F)(F)F)c1 443441720 BFVCDYIRBATAIG-QGZVFWFLSA-N 427.404 4.275 5 20 IIBD Cn1ccnc1-c1csc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)n1 444234359 DFMYWFVMRYANDN-UHFFFAOYSA-N 437.431 4.069 5 20 IIBD O=C(Nc1nnc(CC(F)(F)F)s1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444246789 DWPHSUWSZATBGA-UHFFFAOYSA-N 440.353 4.168 5 20 IIBD CCOC(=O)c1cc(-c2nc(-c3cc(Cl)c(O)c(OCC)c3)no2)cc([N+](=O)[O-])c1 445427399 OWJZFFJQNNQBGE-UHFFFAOYSA-N 433.804 4.246 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(COc3ccc(C(=O)c4ccccc4)cc3)n2)c1 445569898 BJLVNBRFRHOOPW-UHFFFAOYSA-N 445.431 4.387 5 20 IIBD CC(C)(c1noc(CCNC(=O)c2ccc([N+](=O)[O-])cc2)n1)c1cccc(Cl)c1F 445597729 SGJLSGOXCIKWNO-UHFFFAOYSA-N 432.839 4.069 5 20 IIBD Cc1nnc2ccc(-c3noc(-c4ccc(N5C[C@@H](C)C[C@@H](C)C5)c([N+](=O)[O-])c4)n3)cn12 445640388 RUJQDXKBLDOEFY-OKILXGFUSA-N 433.472 4.145 5 20 IIBD CC[C@@H](NC(=O)Cc1noc(-c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1)c1ccccc1 445708562 BIFJYBIWAPYSBV-MRXNPFEDSA-N 434.374 4.474 5 20 IIBD Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1sc(Br)cc1[N+](=O)[O-] 446021561 SRNFMBZBTHFOBX-UHFFFAOYSA-N 440.319 4.365 5 20 IIBD O=C(c1ccc(NCc2ccc(-c3ccco3)cc2F)c([N+](=O)[O-])c1)N1CCOCC1 447814138 YQIYSNFATKDMGH-UHFFFAOYSA-N 425.416 4.078 5 20 IIBD Cc1c(C(F)(F)F)nn(C)c1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 461185223 JRZRMXMFOXASOR-UHFFFAOYSA-N 425.411 4.144 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc([C@@H]2OCC[C@@H]2C)n1C[C@@H]1CCCCO1 461829187 NGQJDAYIYDLEGC-DZFGPLHGSA-N 443.548 4.268 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CC=C(C(F)(F)F)CC3)n2C[C@H]2CCCCO2)c1 461879433 TZFKNLHHSDBGEF-QGZVFWFLSA-N 437.422 4.121 5 20 IIBD C[C@@H](CC[S@](C)=O)NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 469330742 JXPLAPLYLLFKRX-JWNZJDHWSA-N 426.947 4.286 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](c3c(F)cccc3F)C2)c(C(F)(F)F)c1 469395059 HHFJOSYXGGGZHS-JTQLQIEISA-N 436.358 4.070 5 20 IIBD C[C@H](CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1cccc(C(F)(F)F)c1 469997564 ANFOULUVJHLTCO-CYBMUJFWSA-N 433.390 4.118 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC[C@@H](C)c1cccc(C(F)(F)F)c1 470220870 UKECEEOGBCDWCH-MLGOLLRUSA-N 441.454 4.156 5 20 IIBD CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)NCCc1ccccc1[N+](=O)[O-] 470355476 WEMPGDILFHLXAO-UHFFFAOYSA-N 439.299 4.114 5 20 IIBD CN(C)C(=O)c1ccnc(NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c1 470657821 VJJZDZHFDZGJES-UHFFFAOYSA-N 442.479 4.156 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 471431201 AULLLPQYGAGCFO-WMLDXEAASA-N 432.249 4.123 5 20 IIBD O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 473303757 QEXWKNCLNYSBLB-KRWDZBQOSA-N 447.485 4.211 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H]1c2ccccc2CC[C@@H]1n1ccnc1 473993849 WUCXUEBMXZBSHS-PKOBYXMFSA-N 443.410 4.443 5 20 IIBD Cc1cn(-c2cccc(NC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)c2)c(O)n1 477810358 LWAIAQTWBTXTII-UHFFFAOYSA-N 446.413 4.412 5 20 IIBD C[C@@H]1N(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCOC1(C)C 478010888 VLYHMTOQJPYDAT-KRWDZBQOSA-N 434.496 4.016 5 20 IIBD Cc1coc(-c2cc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)ccc2C)n1 478493923 DTFCFNDNVMQUTP-NRFANRHFSA-N 448.479 4.418 5 20 IIBD COC(=O)C[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(C(F)(F)F)cc1 481588652 YUPRVZIKNJKPMB-INIZCTEOSA-N 425.363 4.348 5 20 IIBD CCc1c(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cnn1-c1ccc(C(F)(F)F)cc1 481864486 ZCLQMHHVVYLDIR-UHFFFAOYSA-N 448.357 4.343 5 20 IIBD O=C(CCNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)NCc1ccccc1 487330980 GOEVPWZFQKSJHY-UHFFFAOYSA-N 435.505 4.182 5 20 IIBD Cc1cc(N2CCOCC2)ccc1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 487885828 ZRHZTYUQBLJKKO-UHFFFAOYSA-N 438.406 4.080 5 20 IIBD COc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)cc1[N+](=O)[O-] 488221348 MJBXJXBBYUWNOR-UHFFFAOYSA-N 426.878 4.237 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ncc(-c2ccccc2)o1 489544432 CGSAAYJGNXYMGG-CQSZACIVSA-N 427.482 4.479 5 20 IIBD COc1cccc([C@@H](CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)N2CCCC2)c1 489912191 DXYNICOIXWKYEX-HTAPYJJXSA-N 426.517 4.109 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(c2cc(OC)cc(OC)c2)CC1 489961005 XQVLVZOWUWAOEH-UHFFFAOYSA-N 445.541 4.077 5 20 IIBD Cn1c(Sc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])nnc1-c1ccc(C(C)(C)C)cc1 497535719 XSODEJSDXAKYKC-UHFFFAOYSA-N 446.554 4.243 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3[C@H](C)COC[C@H]3c3ccccc3)cc2)c(C)c1[N+](=O)[O-] 499347388 CDXISKHQVCREKR-ZHRRBRCNSA-N 434.496 4.059 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)[C@H](C)c1ccccc1C(F)(F)F 499437786 GFUZTVVMRCREOG-IHRRRGAJSA-N 437.418 4.040 5 20 IIBD CC(C)(C)n1ncnc1CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 500375231 HURRNPCOWKSHCY-UHFFFAOYSA-N 434.294 4.254 5 20 IIBD O=C(NCCNC(=O)c1cccs1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 500955136 PKXVVSQSNLYIHS-UHFFFAOYSA-N 445.884 4.262 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccc(OC)cc2)C(F)(F)F)cc1OC 505353027 NFYMCRAVUAENPC-KRWDZBQOSA-N 428.363 4.044 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 505900630 GYLSLHLCUABOIV-UHFFFAOYSA-N 445.903 4.365 5 20 IIBD CCNC(=O)N1CCc2ccc(NC(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)cc21 510237809 QBIDCYLLLMDMEP-UHFFFAOYSA-N 447.289 4.010 5 20 IIBD CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 512285857 PRWRIRUJJIXXEE-HNNXBMFYSA-N 440.475 4.113 5 20 IIBD C[C@@H](c1nc(-c2cccs2)no1)N1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 512723316 RDGPMHIQCIOCFP-RRGWEWPQSA-N 425.514 4.098 5 20 IIBD O=C(N[C@@H](CC(=O)N1CCCc2c1cccc2[N+](=O)[O-])c1ccccc1)c1ccccc1 513834683 YHRYZXZVLLZQMF-NRFANRHFSA-N 429.476 4.435 5 20 IIBD O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 517804952 SCUMQCKNCZVHCS-NSHDSACASA-N 438.271 4.179 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1c(F)cc(F)cc1-c1ccccc1 517905980 JWFUGIOSEKGAJA-UHFFFAOYSA-N 425.391 4.299 5 20 IIBD COc1ccc(CNC(=O)CCSc2ccc(Br)cc2)cc1[N+](=O)[O-] 518476664 NRIAKJHKXKDIJN-UHFFFAOYSA-N 425.304 4.165 5 20 IIBD Cn1cc(C(=O)N[C@H]2C[C@H]2c2cccc(Br)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 522079449 FIJDYPIHWVCMHS-WMZOPIPTSA-N 441.285 4.044 5 20 IIBD COc1cccc(C[C@@H](NC(C)=O)C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1 522676284 UENRQMVMKJEDTL-HSZRJFAPSA-N 449.463 4.082 5 20 IIBD CCCC[C@@H](COC)NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 522889546 BUOMBWRZQVYESS-INIZCTEOSA-N 431.455 4.151 5 20 IIBD COc1cc(CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C2CC2)ccc1OC(F)F 532918008 QKHBYDIFHOGRJC-UHFFFAOYSA-N 435.427 4.116 5 20 IIBD C[C@H](NC(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 534234912 LGHXAVUXRBGASG-OWZDWXTDSA-N 434.899 4.441 5 20 IIBD CCCN(CC(=O)Nc1ccccc1OC)c1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 535230339 UVOOEZJUTFRQQY-UHFFFAOYSA-N 435.484 4.224 5 20 IIBD O=C(CN1CCC2(CC1)CCN(Cc1ccccc1)C2)Nc1ccc(Cl)cc1[N+](=O)[O-] 536488612 PTNOMHOAMNZOAE-UHFFFAOYSA-N 442.947 4.175 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)[C@@H]1CCC(=O)C[C@@H]1C 538448246 LDQWLIBZBOKWMC-BLLLJJGKSA-N 430.482 4.444 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H](C)Cc1ccc(F)c(Br)c1 541332096 UJZPYVCOIIDHHL-NSHDSACASA-N 425.254 4.000 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 542066393 AQEANTZPMQVMCV-IBGZPJMESA-N 433.386 4.168 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1 542373965 QLBHXPPCGZBKEL-HKBQPEDESA-N 439.493 4.233 5 20 IIBD CC(C)[C@@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1F 542899336 PUXBQMSPXQLYKR-MRXNPFEDSA-N 428.247 4.493 5 20 IIBD O=C1CSc2ccc(-c3nc(Cc4ccc([N+](=O)[O-])cc4Br)no3)cc2N1 545739556 WPAFJKYVFPOYNT-UHFFFAOYSA-N 447.270 4.042 5 20 IIBD CS[C@H]1C(=O)Nc2ccc(-c3noc(-c4ccc([N+](=O)[O-])cc4Br)n3)cc21 545789977 XZGJIJPEOQWXBZ-CQSZACIVSA-N 447.270 4.431 5 20 IIBD CC(C)(C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl)c1ccc([N+](=O)[O-])cc1F 545873276 POEPLBCLFWCBNP-UHFFFAOYSA-N 448.804 4.307 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N(CCCOc2ccccc2)C2CCOCC2)c1 549007884 WEEHAHZELIATIV-UHFFFAOYSA-N 428.485 4.084 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 553231547 QVHKCGKYTGDTPC-INIZCTEOSA-N 448.479 4.145 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H]2CC[C@@H](c3ccccc3)C[C@@H]2OC)cc1[N+](=O)[O-] 557166667 SSNXZFUSYNKGRA-KNKQGSTJSA-N 444.553 4.304 5 20 IIBD Cc1cccn(Cc2c(F)cccc2N[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1=O 558425250 VPAOXHQJGDQOMO-INIZCTEOSA-N 438.459 4.082 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1ccc(Oc2cccnc2)cc1 563999581 ZMZSGYUZPVIUNY-MRXNPFEDSA-N 436.468 4.470 5 20 IIBD O=C(Nc1cc(F)c(Cl)cc1N1CCOCC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 564176161 YFAHRLCPDYZPFE-UHFFFAOYSA-N 448.882 4.420 5 20 IIBD C[C@@H](C(=O)N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 568948095 RZDFQHNXJVIGBP-ZHRRBRCNSA-N 438.505 4.008 5 20 IIBD CC(C)S(=O)(=O)c1ccccc1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 572093273 JBFGNFWPUCIIAL-UHFFFAOYSA-N 445.419 4.117 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)NCCc2ccc(Br)cc2Cl)c1 572555636 HBPNLLBEQDVHDL-UHFFFAOYSA-N 427.682 4.382 5 20 IIBD COc1cc(Cc2noc(/C=C/c3ccc(OC)c(Cl)c3)n2)c([N+](=O)[O-])c(OC)c1 582898740 IVPPCJWPNCPAAF-FNORWQNLSA-N 431.832 4.418 5 20 IIBD CC(C)c1ccc(C(=O)N2CC[C@H](Oc3cncc(Br)c3)C2)cc1[N+](=O)[O-] 590555948 CAHJIWNVLFWJOB-HNNXBMFYSA-N 434.290 4.169 5 20 IIBD CCOc1ccc([C@@H](C)Nc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1OCC 603474053 OUOONAJONXOYJS-MRXNPFEDSA-N 443.500 4.038 5 20 IIBD Cc1cccc(Oc2ccc(NC(=O)N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)cc2)c1 603650049 UUOVAMDWYBOCFL-UHFFFAOYSA-N 433.468 4.445 5 20 IIBD O=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 603733222 RTJXZEQRUVAHPB-UHFFFAOYSA-N 446.385 4.463 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSc1nnc(-c2ccccc2Cl)o1 609750658 SGPSPCHJGBKPEE-UHFFFAOYSA-N 432.845 4.389 5 20 IIBD Cn1c([C@H]2CCCCN2C(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)nc2ccccc21 609761992 WRKZBKKRYKPWTR-HXUWFJFHSA-N 431.452 4.103 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 609854255 WBLGYRRBZVSCSD-UHFFFAOYSA-N 440.681 4.030 5 20 IIBD CCCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CCN(C(=O)c2ccccc2)CC1 609857130 GMERDUBRZUYBRE-UHFFFAOYSA-N 429.904 4.405 5 20 IIBD Cc1ccccc1COc1ccccc1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 609881582 YQLONSPKLMUABE-IBGZPJMESA-N 432.480 4.204 5 20 IIBD C[C@H]1CN([C@@H](CNc2ncc([N+](=O)[O-])cc2Cl)c2c(F)cccc2Cl)CCO1 609891771 MBJYGQPZLQLHGC-ZBEGNZNMSA-N 429.279 4.310 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](CC(=O)N(C)C)c3cc(Cl)ccc32)c1 610178354 QOQIJVZHZZKBOD-LBPRGKRZSA-N 433.917 4.192 5 20 IIBD O=C(NCc1cccc(OCc2ccccn2)c1)c1cc([N+](=O)[O-])ccc1OC(F)F 611510279 DWGKBHUWAAWRTA-UHFFFAOYSA-N 429.379 4.100 5 20 IIBD COCCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C1CCCC1 615194451 IYGZUCCBQRCNQY-UHFFFAOYSA-N 449.554 4.164 5 20 IIBD O=C(NCCc1ccc(OC(F)F)cc1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 618796379 OYWLDBLFMNLEAZ-UHFFFAOYSA-N 433.333 4.257 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3cc4ccc(F)cc4s3)CC2)ccc1[N+](=O)[O-] 619450496 BGESSUADTOSZGL-UHFFFAOYSA-N 429.473 4.310 5 20 IIBD Cc1cn(CN2CCC[C@H]2c2nc3ccccc3s2)c(=O)n1-c1ccccc1[N+](=O)[O-] 728706810 QULNYCQZCVYQNV-IBGZPJMESA-N 435.509 4.260 5 20 IIBD O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@H]1COC(=O)C1(c2ccc(Cl)cc2)CC1 730706677 DZPYVMBLQLJACN-QGZVFWFLSA-N 428.872 4.128 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(S(=O)(=O)Cc2ccccc2)c1 730740701 IGANRAOIFVWNBL-UHFFFAOYSA-N 430.869 4.474 5 20 IIBD O=C(OC1CCN(C(=O)c2ccccc2F)CC1)c1cc2cc([N+](=O)[O-])ccc2s1 732606243 VXKRSHFHVPZVSS-UHFFFAOYSA-N 428.441 4.410 5 20 IIBD O=C(/C=C\C1CCOCC1)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 732691387 HRDFKDWKUJELAM-AVKJRPAMSA-N 444.871 4.454 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccc(N3CCc4sccc4C3)cc2)ccc1[N+](=O)[O-] 734416503 VYWZVEVAKHQMLB-UHFFFAOYSA-N 429.523 4.328 5 20 IIBD O=c1cc(CSCc2cc([N+](=O)[O-])ccc2Cl)nc2ccc(Br)cn12 735507161 OPZQOLNBWPMEPZ-UHFFFAOYSA-N 440.706 4.452 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NCCNc1ccccc1 735930773 NXUQAUYCRJMPHQ-UHFFFAOYSA-N 441.491 4.218 5 20 IIBD Cc1sc2ncn(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)c(=O)c2c1-c1ccccc1 735990915 JPIVBAXGHKZDAL-UHFFFAOYSA-N 440.868 4.379 5 20 IIBD C[C@H](CC(=O)O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(C(F)(F)F)c1 738745548 UVNVXBNICLCIEO-FZKQIMNGSA-N 436.386 4.456 5 20 IIBD COc1cc(N2CCC(OC(=O)CCC(=O)c3cc(C)ccc3C)CC2)ccc1[N+](=O)[O-] 739379621 IKMNMKMETQRWNE-UHFFFAOYSA-N 440.496 4.395 5 20 IIBD COc1cc(N2CCC(OC(=O)COc3ccccc3C(C)C)CC2)ccc1[N+](=O)[O-] 739384432 JNUMNKPJRNJMQL-UHFFFAOYSA-N 428.485 4.318 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1Cl 740409940 JXKRAEHNVQMEAG-SNVBAGLBSA-N 441.665 4.045 5 20 IIBD Cc1nc(-c2cccc(C(=O)O[C@@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c2)cs1 745671657 AZFZTUGXGVWQQA-NSHDSACASA-N 429.429 4.350 5 20 IIBD C[C@@H](CC(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)c1cccc(F)c1 746087624 OOSOSTWAZFFVQG-QWHCGFSZSA-N 427.388 4.297 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ccc3nc(S)oc3c2)cc1)c1cccc([N+](=O)[O-])c1 746106490 MOILJRTUMXEFLR-UHFFFAOYSA-N 435.417 4.496 5 20 IIBD Cc1c(C(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748623748 NWNNXTNADUUTRW-UHFFFAOYSA-N 448.863 4.411 5 20 IIBD CN(C)Cc1cccc(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)c1 750842806 AKIHGLLYVHJNQW-UHFFFAOYSA-N 426.698 4.002 5 20 IIBD Cc1cc(C)n(-c2ccc(CCNC(=O)c3cc([N+](=O)[O-])ccc3Br)cc2)n1 751089020 QTAOUHPSOVZMMT-UHFFFAOYSA-N 443.301 4.132 5 20 IIBD C[C@@H](OC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1cnccn1 751172007 VDIMGOGPULGZJR-MRXNPFEDSA-N 429.436 4.084 5 20 IIBD C[C@H](OC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccc(N2CCCC2)cc1 755062366 MKAHJVWIMRUTNC-CABCVRRESA-N 429.448 4.008 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 760037171 ISMNGWWALDYYOA-HXUWFJFHSA-N 447.438 4.010 5 20 IIBD CC1CCN(c2ccc(-c3nc(-c4cccnc4-n4ccnc4)no3)cc2[N+](=O)[O-])CC1 761716973 OFKSPBGEEZSMOA-UHFFFAOYSA-N 431.456 4.129 5 20 IIBD O=[N+]([O-])c1ccc(Oc2ccc(-c3noc(-c4ccnc(-n5cncn5)c4)n3)cc2)cc1 761859094 SYOSPPQWPBNYGX-UHFFFAOYSA-N 427.380 4.080 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CCC[C@@H](N2CCCCC2=O)C1 764237162 ZXUXFTPTPGDZPN-QGZVFWFLSA-N 431.558 4.247 5 20 IIBD CC(C)(C)c1cc[n+](/C(C(=S)NCc2ccon2)=C(/O)c2cccc([N+](=O)[O-])c2)cc1 764431687 FYTAFAUSMAZTQI-UHFFFAOYSA-O 439.517 4.169 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)Nc1ccc(Br)cc1 766220078 KPXDHLYMIWZKRZ-LLVKDONJSA-N 444.241 4.090 5 20 IIBD Cc1ccc(NC(=O)c2cccc(OS(=O)(=O)c3cc([N+](=O)[O-])c(C)s3)c2)cc1 767756421 FHBMJQJHPCACIY-UHFFFAOYSA-N 432.479 4.293 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 767880583 BYHKYYLSPWNSOT-UKRRQHHQSA-N 437.418 4.439 5 20 IIBD Cc1ccc(NC(=O)c2ccccc2)cc1NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 768267111 LNYFQLJXYBBTGW-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD COc1cccc(C(=O)OCc2csc(N(C(C)=O)c3ccccc3F)n2)c1[N+](=O)[O-] 769603789 SHMJASLWKQXUAT-UHFFFAOYSA-N 445.428 4.241 5 20 IIBD COc1cccc(C(=O)OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1[N+](=O)[O-] 769604684 QNOHVUALHGDZFJ-UHFFFAOYSA-N 433.631 4.359 5 20 IIBD O=C(OCc1cnoc1C1CC1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 773472459 YGDLUVFMAQOXBW-UHFFFAOYSA-N 439.390 4.439 5 20 IIBD CCC(C)(C)NC(=S)Nc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 774141766 XPSVUOBOOWUKGY-UHFFFAOYSA-N 436.559 4.179 5 20 IIBD Cc1ccccc1-c1nc(C)c(C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)s1 775111160 YYBHZHPVPCLPOX-UHFFFAOYSA-N 429.429 4.270 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)ccc1Cl 775207881 HCHIBTVUHKUCCR-UHFFFAOYSA-N 449.272 4.360 5 20 IIBD CCc1ccc(N2C[C@H](C(=O)O[C@H](c3cccnc3)c3ccccc3[N+](=O)[O-])CC2=O)cc1 776130392 AHCCOVOUZBDSOC-NTKDMRAZSA-N 445.475 4.238 5 20 IIBD CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@H](O)c1ccc([N+](=O)[O-])cc1 776278223 SFOFPDZUEZNQRY-KRWDZBQOSA-N 434.905 4.264 5 20 IIBD COC(=O)[C@@](C)(NC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 776402100 BAWBIYUJRQXPCH-KRWDZBQOSA-N 431.659 4.373 5 20 IIBD CSc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2Br)c1[N+](=O)[O-] 777073913 NJSSRBRDUSVZTL-JTQLQIEISA-N 439.287 4.263 5 20 IIBD CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccc([N+](=O)[O-])cc1Cl 778093098 LWDAZHVXVTVJJH-HXUWFJFHSA-N 443.887 4.156 5 20 IIBD O=C(Nc1ccc(-n2nccn2)cc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1OC(F)F 779346205 VGEIUSILPFBLHQ-UHFFFAOYSA-N 443.288 4.048 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@]2(CCN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)C2)C1 781025755 OIAFDZDHNMZOGA-SANMLTNESA-N 447.535 4.154 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCCc2cc(Br)ccc21 781624690 MSEHEQDJBLGNSO-UHFFFAOYSA-N 434.246 4.178 5 20 IIBD C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 782382882 RFXLQVFXZVCJNY-NSHDSACASA-N 437.330 4.174 5 20 IIBD COc1cc(C(=O)O[C@H]2CC(C)(C)OC2(C)C)c([N+](=O)[O-])cc1OCc1cscn1 783160690 CKBGMBVWSSNAGV-KRWDZBQOSA-N 436.486 4.142 5 20 IIBD CC1CCN(c2ccc(NC(=O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)cc2)CC1 783890525 YANASAOPAJFLNI-UHFFFAOYSA-N 438.528 4.207 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 785381531 OBAGHWAHPZXLBP-CYBMUJFWSA-N 445.438 4.267 5 20 IIBD Cc1c(C(=O)O[C@H](C)c2ccccc2[N+](=O)[O-])nnn1Cc1ccc(C(F)(F)F)cc1 786356430 SVPIDYXXHUYFPX-CYBMUJFWSA-N 434.374 4.480 5 20 IIBD Cc1ncc(-c2ccccc2)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 790640419 UYQKFXHTAOCQLA-UHFFFAOYSA-N 442.453 4.291 5 20 IIBD CN(C)c1cc(F)c(C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)cc1[N+](=O)[O-] 791346963 ZTMBGMYNBPNKSP-UHFFFAOYSA-N 438.912 4.259 5 20 IIBD Cc1c(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cccc1NC(=O)N(C)C 792554824 KHHPVJGBNSZJRX-UHFFFAOYSA-N 439.241 4.151 5 20 IIBD CN1C(=O)/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)c2cc(Br)cnc21 794877358 KLSLZIQLLZRVFL-WCIBSUBMSA-N 439.063 4.032 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3nc(SC)sc3c2)cc1OC 798109822 PUBVDTIJXJQSFL-UHFFFAOYSA-N 449.510 4.213 5 20 IIBD CC(C)N(C)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2nc[nH]n2)cc1F 798281511 NEPRKHBVIGARJE-UHFFFAOYSA-N 430.465 4.100 5 20 IIBD O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 798292431 HLJVMKDANQNIRL-KRWDZBQOSA-N 432.263 4.427 5 20 IIBD Cc1cc(Br)c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1Cl 805600488 OIJAWJZSVNLPBL-UHFFFAOYSA-N 441.665 4.423 5 20 IIBD Cc1c(-c2ccccc2)oc2c(-c3nc(-c4c([N+](=O)[O-])nc(C)n4C)no3)cccc2c1=O 809478287 BOIOVEYVTAUAGD-UHFFFAOYSA-N 443.419 4.436 5 20 IIBD C[C@H](OC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1)c1cccc([N+](=O)[O-])c1 809672698 VZTMCTDPTAYQQZ-AWEZNQCLSA-N 446.506 4.053 5 20 IIBD Cc1nc2c(C(=O)OCc3cc(I)cc([N+](=O)[O-])c3)cccc2o1 811039115 LVEHVCGQMFVYKA-UHFFFAOYSA-N 438.177 4.006 5 20 IIBD O=C(CCc1nc(C2CCCC2)no1)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811220251 YOFMXUAMPMBQHU-UHFFFAOYSA-N 428.470 4.435 5 20 IIBD C[C@H](OC(=O)c1cc(N(C)C)c2ccccc2n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 811323528 WNFCLXFBHLTTOL-LBPRGKRZSA-N 442.859 4.046 5 20 IIBD Cc1cccc(S(=O)(=O)CCCOC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 811373795 OGBORMCALRFCMW-UHFFFAOYSA-N 432.281 4.231 5 20 IIBD CN1CCN([C@@H](CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c2cccs2)CC1 811472151 YBZOUBWNRSKFED-INIZCTEOSA-N 429.373 4.041 5 20 IIBD CC1(C)CN(C(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2O)[C@@H]1c1cccs1 813786813 RLXPVVKZUVDMQS-QGZVFWFLSA-N 432.889 4.424 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1cccc(NC(=O)[C@H]2CCCO2)c1 815179573 UHDQYADEUHHOPC-QGZVFWFLSA-N 438.358 4.088 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)Nc1ccccc1Br 815511238 BLBYHGHSWRYCHZ-UHFFFAOYSA-N 447.163 4.172 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)OCCCc1cnoc1 816227725 GXCOYTJUNHBUHS-UHFFFAOYSA-N 432.436 4.154 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC12CCC2 816857426 HLTNMVZRSMVQDQ-AWEZNQCLSA-N 428.489 4.128 5 20 IIBD Cc1c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cnn1-c1ccccc1F 844531634 FOGDUZMFXKHNOT-GFCCVEGCSA-N 446.822 4.065 5 20 IIBD Cc1sc2ncnc(N3CCC(C(=O)Nc4cc([N+](=O)[O-])c(F)cc4F)CC3)c2c1C 897527973 XXUJGBQOYGLIMC-UHFFFAOYSA-N 447.467 4.350 5 20 IIBD COc1ccc([C@H]2CCCCCN2C(=O)COC(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1 920906481 XMRLMTYWEIZOMN-OAQYLSRUSA-N 426.469 4.213 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Cc1ccc(OC(F)F)cc1 921240696 LVDKMZRJJSUQDJ-UHFFFAOYSA-N 446.410 4.226 5 20 IIBD O=[N+]([O-])c1cc(F)cc(-c2nnc(-c3nnc(-c4ccccc4)o3)o2)c1Br 1117249629 LHUJHWXKJDQDHT-UHFFFAOYSA-N 432.165 4.263 5 20 IIBD O=C(CCOc1cc(Cl)ccc1Cl)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 1317958692 FBRSAUJJCXRSJJ-UHFFFAOYSA-N 438.223 4.464 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(-n3cccc3)ccc2F)cc1Br 1318212243 RDUWTHIFRYROMH-UHFFFAOYSA-N 440.250 4.088 5 20 IIBD COC(=O)c1cc(NS(=O)(=O)c2sc3cccc(F)c3c2C)c(C)c([N+](=O)[O-])c1 1321880414 RSIYLJJBFWBQSL-UHFFFAOYSA-N 438.458 4.153 5 20 IIBD O=C(c1ccc(Cl)cc1)N1CCC[C@H](c2nnc(COc3ccccc3[N+](=O)[O-])o2)C1 1328232198 NPDWEXWLBURKOW-HNNXBMFYSA-N 442.859 4.230 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccc(Br)s1 1338246530 GEEPSWNBSCFLGW-UHFFFAOYSA-N 449.076 4.221 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CS(=O)(=O)Cc3cnc(-c4ccccc4)s3)co2)cc1 1341227598 MRVXDPZHPUUIMM-UHFFFAOYSA-N 441.490 4.488 5 20 IIBD O=C(CCC1CCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(Cl)cc1[N+](=O)[O-] 1793074068 HZMKVWARDNIWCS-REPLKXPHSA-N 433.936 4.009 5 20 IIBD CC1=CC[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 1793079677 YPBDWHLDOCOTQF-GEALJGNFSA-N 445.947 4.175 5 20 IIBD CC/C=C(\C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)[nH]n1 1823096752 CREQHLHFGCWDAT-QPEODSHDSA-N 429.452 4.119 5 20 IIBD CC(=O)N1CCC([C@H]2CCCCN2C(=O)CCCc2cc(C)c(F)cc2[N+](=O)[O-])CC1 1824370016 HKIQZKPGKOPDDT-OAQYLSRUSA-N 433.524 4.005 5 20 IIBD COc1ccccc1Nc1nnc(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)s1 3494264 YNJOERKFLDDXIA-LLVKDONJSA-N 431.499 4.318 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nnc1-c1ccc(F)cc1 20170351 WDPIDYQKXDGFJG-NSHDSACASA-N 433.440 4.271 5 20 IIBD C[C@H](Nc1ccc(N2CCCC2=O)c(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 25211128 NIBGDVFXGJTDQK-NSHDSACASA-N 437.283 4.468 5 20 IIBD COc1ccc(CSCC(=O)Nc2cccc(CN3CCCCC3)c2)cc1[N+](=O)[O-] 27142808 PDSOJUCIIYROQC-UHFFFAOYSA-N 429.542 4.461 5 20 IIBD CCn1c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nnc1-c1ccccc1OC 29831049 QAHJDXGTTZFIRF-UHFFFAOYSA-N 438.469 4.224 5 20 IIBD Cc1nc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)sc1-c1ccccc1 31967964 UTFCXRSHMPUHOB-UHFFFAOYSA-N 438.465 4.354 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CC=C(c3c[nH]c4ccc(OC)cc34)CC2)cc([N+](=O)[O-])c1 32336224 DMVWUAUSODWYAS-UHFFFAOYSA-N 449.463 4.191 5 20 IIBD O=C1CCCCCN1CCCNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 61555612 LSPSEHWLIIEWJA-UHFFFAOYSA-N 447.539 4.330 5 20 IIBD Cc1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)cc1[N+](=O)[O-] 61999972 JWEWJSVNQTZSJM-QFIPXVFZSA-N 429.432 4.494 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)Nc1cccc([N+](=O)[O-])c1C 68968158 CBBORPPAKITAAG-OAHLLOKOSA-N 431.514 4.027 5 20 IIBD Cc1cc(NC(=O)Cc2c(C)nn(-c3ccccc3)c2C)n(-c2ccc([N+](=O)[O-])cc2)n1 105588000 PXUUFYQWWVRFJG-UHFFFAOYSA-N 430.468 4.073 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(c3ccc(Br)cn3)CC2)c(C(F)(F)F)c1 108930581 OGVXIYUNFIAADT-UHFFFAOYSA-N 431.212 4.098 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(CNc3ccc(Br)cc3[N+](=O)[O-])cc2)C[C@H](C)O1 109076300 FAHIPGIWLNKDAX-KBPBESRZSA-N 448.317 4.219 5 20 IIBD COc1ccc(C)cc1-c1csc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)n1 109276814 PANRGMMDRUUHOC-UHFFFAOYSA-N 435.465 4.473 5 20 IIBD Cc1nn(CCC(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)c(C)c1[N+](=O)[O-] 116652074 AUTAZJOOACTGJS-HXUWFJFHSA-N 431.496 4.228 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@H](c3ccccc3)[C@H](C)C(=O)O)cc2[N+](=O)[O-])CC1 236670960 INHPAMDRNMJJIA-KKSFZXQISA-N 425.485 4.023 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1CNCc1cc(Br)c(OC)c(OC)c1 236851955 IODYMMPPMJNRHY-UHFFFAOYSA-N 425.279 4.063 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(NC[C@H]2CCCO[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 303038726 SIJVUUCCKXOZIY-XMSQKQJNSA-N 447.557 4.205 5 20 IIBD COc1cc(OCC(=O)Nc2ccc(-c3nc4ccccc4n3C)cc2)ccc1[N+](=O)[O-] 303230972 YFAJIYBGXXZDQH-UHFFFAOYSA-N 432.436 4.175 5 20 IIBD COC(=O)C[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(OC(F)(F)F)cc1 409680226 VOKBOQMTZCDTES-INIZCTEOSA-N 441.362 4.228 5 20 IIBD C[C@@H]1CN(C2CCOCC2)CCN1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 426571978 XNMRKOYTKIPXLX-QGZVFWFLSA-N 429.492 4.211 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1c[nH]nc1-c1c(F)cccc1F 427598701 HUFCOAYAABSKLS-UHFFFAOYSA-N 426.301 4.212 5 20 IIBD Cc1c(NC(=O)C(=O)N(CC(C)C)CC(C)(C)C)cc(Br)cc1[N+](=O)[O-] 430324215 GGRJJHOWTXPANO-UHFFFAOYSA-N 428.327 4.135 5 20 IIBD C[C@@H]1C[C@H](N(C)C(=O)c2ccc(Br)cc2[N+](=O)[O-])CCN1Cc1ccccc1 430600281 HDSFTMPYEVWMRZ-CRAIPNDOSA-N 446.345 4.482 5 20 IIBD O=C(N[C@H]1CCCN(c2ccccc2Cl)C1)c1ccc(Br)cc1[N+](=O)[O-] 430606927 XQXABYFMXDOHCR-ZDUSSCGKSA-N 438.709 4.410 5 20 IIBD Cc1ccc([C@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])N2CCCC2)cc1 431017881 CMZBZSCNXKEYQH-IBGZPJMESA-N 432.318 4.233 5 20 IIBD C[C@@H]1CCCN(Cc2csc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)n2)C1 432918627 OFRCFKPHFJJZKH-LLVKDONJSA-N 439.335 4.298 5 20 IIBD CN(C(=O)c1ccccc1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CCCCC1 433710551 SQUVUYIRXUDMGL-JOCHJYFZSA-N 436.512 4.217 5 20 IIBD COc1cc(NC(C)=O)ccc1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 435450816 GUROXJFBNIBZCE-UHFFFAOYSA-N 440.378 4.021 5 20 IIBD COC(C)(C)C[C@@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435822379 PKLJEFIMGDIUBP-GFCCVEGCSA-N 437.543 4.066 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCO[C@H](c2ccccc2F)C1 436335034 GMCYQNRUBZRVGI-FQEVSTJZSA-N 438.405 4.312 5 20 IIBD CCOc1cccc([C@@H]2C[C@H]2NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c1 437210715 FDDAULJGLUQPFX-FCHUYYIVSA-N 434.496 4.141 5 20 IIBD O=C1c2ccccc2C(=O)N1c1ccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 437585210 AKAAHHPOQXEEMX-UHFFFAOYSA-N 441.443 4.200 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl 439764186 JKSWHKIKWGNAOO-VIFPVBQESA-N 444.246 4.255 5 20 IIBD CCN([C@H](c1ccc(Cl)cc1)c1ccccn1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 442952867 UOWMLLYSJSOACA-HXUWFJFHSA-N 431.901 4.443 5 20 IIBD CN(C)CCCOc1cccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1 444015063 ZUFAYGXZQDUHEJ-UHFFFAOYSA-N 433.483 4.403 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC1(c2ccccc2)CC1 444376223 LVKHTDZSMBFLBA-UHFFFAOYSA-N 428.510 4.054 5 20 IIBD CC(C)Oc1ccc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c(Cl)c1 444510949 SCXLAOSEFZCENN-UHFFFAOYSA-N 433.848 4.362 5 20 IIBD O=C(CCCSc1ccc(Br)cc1)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444628326 CUGGQFQFSPQLSU-UHFFFAOYSA-N 449.330 4.422 5 20 IIBD CCOC(=O)c1cc(-c2nc(CC(=O)Nc3cccc4ccccc34)no2)cc([N+](=O)[O-])c1 445332412 NVGRJVLGJQOGHV-UHFFFAOYSA-N 446.419 4.156 5 20 IIBD Cc1cc(Br)ccc1-c1noc(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)n1 445463959 LFYVEYDNDSRZDY-UHFFFAOYSA-N 432.230 4.078 5 20 IIBD O=[N+]([O-])c1ccc2nc(CNCc3csc(COc4ccc(Cl)cc4)n3)[nH]c2c1 446828243 SNFRCRXZEZHFLT-UHFFFAOYSA-N 429.889 4.450 5 20 IIBD C[C@@H]1CN(c2cccc3cnccc23)CCN1c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 447688294 LKYNUSNSZMXJLX-GOSISDBHSA-N 445.523 4.094 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(N2C(=O)NC(C)(C)C2=O)c1 447837369 UJLQQYUAKVBBMF-UHFFFAOYSA-N 442.497 4.182 5 20 IIBD C[C@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])Oc1ccccc1Cl 460433790 DZCPCKSOHYZSQD-LLVKDONJSA-N 432.782 4.387 5 20 IIBD Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NCCc1ccccc1[N+](=O)[O-] 461252009 DDDILBIFNCOMGL-UHFFFAOYSA-N 443.301 4.132 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H](c1ccccc1)[C@H]1CCCO1 462165805 RDXLYELKTABMAJ-HZPDHXFCSA-N 431.297 4.100 5 20 IIBD CCN(CC)[C@@H]1CCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 464778801 WDQKBXFFCVPFIJ-WIYYLYMNSA-N 430.936 4.344 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 467831501 UMQVJRCKXZKPAL-XEZPLFJOSA-N 440.331 4.196 5 20 IIBD Nc1c(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)cccc1[N+](=O)[O-] 468698154 FRBKXBPSQJZYTH-UHFFFAOYSA-N 449.442 4.159 5 20 IIBD COCCN(Cc1ccc(Br)s1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 470116139 SETQZTWDCMJYDJ-UHFFFAOYSA-N 432.271 4.238 5 20 IIBD CCOc1ccc(CN(CCCn2ccnc2)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1 470142455 FXMBSRRNVQGAFY-UHFFFAOYSA-N 441.463 4.454 5 20 IIBD CCN(C/C(C)=C\c1cccc([N+](=O)[O-])c1)Cc1nc(O)c2cc(OC)c(OC)cc2n1 470170157 PKXFSMKVEFNQBB-DHDCSXOGSA-N 438.484 4.186 5 20 IIBD COc1ccc(CSCC(=O)N[C@H]2CCCO[C@H]2c2ccc(C)cc2)cc1[N+](=O)[O-] 470256280 URHCCXXAFZKIDD-AVRDEDQJSA-N 430.526 4.182 5 20 IIBD CC[C@H](CN(C)C(=O)CCn1cc([N+](=O)[O-])nc1C)Oc1ccc(Cl)c(Cl)c1 470727104 MUHVFEQXXNKCQU-CYBMUJFWSA-N 429.304 4.113 5 20 IIBD Cc1c(NC(=O)N(C)C)cccc1NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 471354841 LRJHLYOUOBGOLM-UHFFFAOYSA-N 441.488 4.072 5 20 IIBD Cc1nc(NC(=O)c2c(C)nn(Cc3cccc(Br)c3)c2C)ccc1[N+](=O)[O-] 475319278 SWBVLBLIHVIAPJ-UHFFFAOYSA-N 444.289 4.175 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCc2cc(Br)cc(F)c21 479161410 KCDUSLJTBNQTGU-UHFFFAOYSA-N 444.054 4.462 5 20 IIBD Cc1cccc(CC2(O)CCN(c3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)CC2)c1 480855796 IXDQPZDAHLVMTO-UHFFFAOYSA-N 433.508 4.451 5 20 IIBD Cc1ccc(F)cc1-c1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 481850056 URJURZLDARTZJT-UHFFFAOYSA-N 428.854 4.015 5 20 IIBD COc1cc(CN[C@@H](C)c2nc(C(C)(C)C)no2)c([N+](=O)[O-])cc1OCC(F)(F)F 483641186 SUOQDKJCRBILBI-JTQLQIEISA-N 432.399 4.076 5 20 IIBD CN(C)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1Cl 485657907 SLSCKVOGWIQXKV-UHFFFAOYSA-N 429.807 4.042 5 20 IIBD COC(=O)c1cc(NC(=O)N(C)Cc2ccccc2Br)c(C)c([N+](=O)[O-])c1 486859492 PHXBFLBKLIJOLR-UHFFFAOYSA-N 436.262 4.116 5 20 IIBD CNC(=O)COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cc1 488932740 AVPSGPOVAYMMPO-UHFFFAOYSA-N 437.477 4.123 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2O)cc1[N+](=O)[O-] 489673763 CJQWHZNERVSLCP-IIBYNOLFSA-N 447.491 4.244 5 20 IIBD COc1ccc(CNCC[C@]2(O)C[C@H]3CC[C@H]2C3)cc1OCc1ccc([N+](=O)[O-])cc1 491575352 ZQYQCKKMKUOFCJ-WXVUKLJWSA-N 426.513 4.213 5 20 IIBD COC(=O)c1ccc(N2CCCC2)c(NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 493260560 SKYDPDCUJOXGLF-HNNXBMFYSA-N 426.473 4.173 5 20 IIBD O=C(c1cc(NC[C@@H]2CCCN(Cc3cccs3)C2)ccc1[N+](=O)[O-])N1CCCC1 493307018 UWKWPIYJJUQUKS-KRWDZBQOSA-N 428.558 4.216 5 20 IIBD Cc1cccc(CN(CCN(C)C)C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 498114160 LRKCIJKHVPRCIK-UHFFFAOYSA-N 439.434 4.048 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 498313890 MNDXTKDGLQCTMZ-RUZDIDTESA-N 430.508 4.271 5 20 IIBD CC(C)N(Cc1cccc(Cl)c1)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 498361961 GZRUGEUZWWHEIN-UHFFFAOYSA-N 431.876 4.374 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc(OC(F)F)cc1OC(F)F 498628451 CEFACMFSAJWLSY-UHFFFAOYSA-N 427.310 4.391 5 20 IIBD Cc1cccc(C2(CNC(=O)CSc3ccc(C(N)=O)cc3[N+](=O)[O-])CCCCC2)c1 501127825 OTDPHSRQFUAVRB-UHFFFAOYSA-N 441.553 4.113 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1ccc(NC(=O)c2cccs2)cc1 501967590 HNUKAAIUIXXDLZ-CYBMUJFWSA-N 440.481 4.356 5 20 IIBD O=C(NCCNc1ccccc1[N+](=O)[O-])NCc1cccc(NC(=O)Nc2ccccc2)c1 506803114 WNMASDGIYSIWLI-UHFFFAOYSA-N 448.483 4.150 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] 506903627 QBLINCJVBXEDAG-RDJZCZTQSA-N 435.402 4.313 5 20 IIBD O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@H](OCc2ccncc2)C1 509078117 GNMOZZUFQHFKRS-NRFANRHFSA-N 432.480 4.033 5 20 IIBD Cc1c(Br)cc(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)cc1[N+](=O)[O-] 510479912 QPLNVTRNHTZOJF-CQSZACIVSA-N 447.333 4.016 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1ccsc1Br 512029357 ANRGMIGLRYRBRN-UHFFFAOYSA-N 434.109 4.040 5 20 IIBD COC(=O)CCCOc1ccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 513270006 YLYFJZYJOYKIQV-UHFFFAOYSA-N 428.466 4.072 5 20 IIBD CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1Cl 516343422 BOFXFVVYAXLOTF-UHFFFAOYSA-N 446.312 4.184 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c([N+](=O)[O-])c1 518858125 AKCZRTBFZPDFAV-UHFFFAOYSA-N 429.420 4.323 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1Br 523109326 CKTNYKONXPLKDT-UHFFFAOYSA-N 429.654 4.345 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Nc2cccc(OCC(F)(F)F)c2C)c([N+](=O)[O-])c1 524322994 FRHLLIZVBRZMME-GFCCVEGCSA-N 427.379 4.292 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 524339116 WYTGAYJXRGODOU-OAHLLOKOSA-N 436.295 4.070 5 20 IIBD O=C(C[C@H](Cc1ccccc1)c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 525151202 GHXLIKYLFFHNDG-QFIPXVFZSA-N 430.508 4.055 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C 525385355 UDHGCPLSQTVCSV-IRXDYDNUSA-N 431.920 4.139 5 20 IIBD COc1ccc(-c2ccc(CNc3ccc(C)cc3OCC(=O)N(C)C)o2)c([N+](=O)[O-])c1 532889180 ZKGDSXOPMADHAR-UHFFFAOYSA-N 439.468 4.251 5 20 IIBD O=C(c1cc2occc2s1)N1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 534122766 IJMFROHCJQIZAT-UHFFFAOYSA-N 438.465 4.016 5 20 IIBD Cc1ccc(NCCCNC(=O)Nc2cccc3c2CN(c2ccccn2)C3)c([N+](=O)[O-])c1 534599396 BYXDFIYWPYEAFM-UHFFFAOYSA-N 446.511 4.442 5 20 IIBD COc1cc(CN(C)C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c(SC)cc1OC 534673675 ZXMXZNUMOTWAOO-UHFFFAOYSA-N 429.498 4.016 5 20 IIBD Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C 535821987 JKBJIVQMXSABEO-UHFFFAOYSA-N 433.530 4.110 5 20 IIBD COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 536775431 CWEIOHYROHGMTJ-YJYMSZOUSA-N 427.482 4.233 5 20 IIBD O=C(NCCNc1ncnc2ccc([N+](=O)[O-])cc12)[C@@H]1C[C@H]1c1ccc2ccccc2c1 537730660 LPSDWSDAXDNKGI-VQTJNVASSA-N 427.464 4.023 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(NC(=O)[C@H]2CCCO2)c1 539338377 OBRDYYITMBTFSD-LJQANCHMSA-N 443.525 4.143 5 20 IIBD O=C(Nc1cccc(-c2ccc3c(c2)CCO3)c1)c1cccc([N+](=O)[O-])c1N1CCOCC1 539545402 SLRQNBOAGZOCHH-UHFFFAOYSA-N 445.475 4.286 5 20 IIBD Cc1cc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)ccc1-n1nnnc1C(C)C 541505740 KVZVHZLBBPTCKZ-UHFFFAOYSA-N 435.488 4.199 5 20 IIBD CC[C@H](Cc1ccccc1Br)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] 542119877 NPTOOFOJZKCNHJ-LLVKDONJSA-N 433.349 4.256 5 20 IIBD C[C@@H](CNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1nccs1 542583946 CIGSBHFWHAMMLQ-INIZCTEOSA-N 447.520 4.366 5 20 IIBD CC(C)c1nc(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)nn1-c1ccccc1F 545676628 VNQPJSUFZBXFOT-UHFFFAOYSA-N 437.435 4.143 5 20 IIBD Cc1cc(N2C[C@@H](c3nc(Cc4c[nH]c5ccc([N+](=O)[O-])cc45)no3)CC2=O)ccc1F 546490139 DYYUDXRMORKRRD-AWEZNQCLSA-N 435.415 4.018 5 20 IIBD Cc1c(Br)cc(C(=O)N(C)Cc2nc(-c3cccs3)no2)cc1[N+](=O)[O-] 552580482 IFLVQNCOIVIJKS-UHFFFAOYSA-N 437.275 4.049 5 20 IIBD CC(C)(NC(=O)c1n[nH]c(-c2ccccc2)c1Br)c1ccccc1[N+](=O)[O-] 554070068 INBUHQCDUFRYSV-UHFFFAOYSA-N 429.274 4.413 5 20 IIBD Cc1c(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cnn1-c1ccc(Cl)cc1 554767445 XVYJJVIKJPOACZ-UHFFFAOYSA-N 440.891 4.096 5 20 IIBD COc1cc(C(=O)NC(C2CCC2)C2CCC2)c([N+](=O)[O-])cc1OCc1cscn1 561377236 RPBSGJBBZQEZNA-UHFFFAOYSA-N 431.514 4.338 5 20 IIBD Cc1ccc(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc1NC(=O)C(C)(C)C 561405900 NCMVVFCZEDIKES-UHFFFAOYSA-N 426.473 4.314 5 20 IIBD O=C(NCc1ccnc(Oc2ccccc2F)c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 564386751 GIZKRDNYJATVCD-UHFFFAOYSA-N 438.415 4.025 5 20 IIBD COc1cc(-c2noc([C@H](C)c3cccc([N+](=O)[O-])c3)n2)ccc1OC[C@@H]1CCCO1 575364612 ZEKYQVTYZXWUKL-KDOFPFPSSA-N 425.441 4.363 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 578266885 JYBWLWMJEBOKBN-MRXNPFEDSA-N 441.406 4.080 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CCC(c2cccc(F)c2F)CC1 580143018 OREAOFWTUGQHHT-UHFFFAOYSA-N 427.407 4.206 5 20 IIBD O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCO2 585720089 QZZQTWICQZIJPA-UHFFFAOYSA-N 428.404 4.429 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O 590539178 VVRYDSWGWTYSTJ-YDISMWLMSA-N 439.350 4.458 5 20 IIBD CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)COc1cccc([N+](=O)[O-])c1 603567602 GQTPUZZLFQPYGV-UHFFFAOYSA-N 430.848 4.116 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@H](CC(=O)O)c3cccs3)cc2[N+](=O)[O-])C1 603570669 WEEGAGYFNHRMDR-IJEWVQPXSA-N 431.514 4.084 5 20 IIBD CCCCCOc1ccc([C@@H](C)NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1OC 603773164 ZCZUOBGAJYCUOG-OAHLLOKOSA-N 444.484 4.435 5 20 IIBD Cc1ccc(Cn2nccc2NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)o1 603820533 MSGMGEXIYOUBPB-IYBDPMFKSA-N 437.500 4.476 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 603883110 SATFIVDNXODWJB-UHFFFAOYSA-N 448.262 4.246 5 20 IIBD COc1cc(C(=O)NCc2cc3ccccc3o2)c([N+](=O)[O-])cc1OCc1cscn1 604352588 KVMTZVGGSRKEQX-UHFFFAOYSA-N 439.449 4.315 5 20 IIBD O=C(NCCc1c[nH]c2cc(Cl)ccc12)C1CCN(c2ccccc2[N+](=O)[O-])CC1 604487602 VRYYFGIKROHVCJ-UHFFFAOYSA-N 426.904 4.305 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(-n3cccn3)c(Cl)c2)cc1[N+](=O)[O-] 608946123 YIQWZZQYQDNKHZ-UHFFFAOYSA-N 432.889 4.314 5 20 IIBD CCCn1c(=O)c2ccccc2n2c(SCc3ccc(Cl)cc3[N+](=O)[O-])nnc12 609693364 KZSOJLGICJGYBV-UHFFFAOYSA-N 429.889 4.308 5 20 IIBD CCOc1cc(CN(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)ccc1OC(F)F 609784155 SUZHAPKMWOHMSG-UHFFFAOYSA-N 428.819 4.449 5 20 IIBD COCC[C@@H](C)NC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 609810552 HLZFAEXGCSWNMI-GFCCVEGCSA-N 425.844 4.404 5 20 IIBD C[C@H](OCCCNC(=O)COc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 609962523 LBGKVYIRWODFCW-AWEZNQCLSA-N 437.290 4.020 5 20 IIBD Cc1cccc(-n2nc(-c3ccco3)cc2NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)c1 609977656 DFMJWAVUYROMDN-UHFFFAOYSA-N 434.456 4.191 5 20 IIBD COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C 610031209 WZIAOPQDMFPMDI-KRWDZBQOSA-N 433.892 4.407 5 20 IIBD CC(C)(C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1)c1ccc([N+](=O)[O-])cc1 610047536 CYZBRSBUCIRGOJ-MRXNPFEDSA-N 432.318 4.030 5 20 IIBD CN(CC(C)(C)C)C(=O)c1cccc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)c1 610169666 VLULCOSVYPMOGH-UHFFFAOYSA-N 441.484 4.127 5 20 IIBD C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CCC[C@H](C[C@H]2CCOC2)C1 611350812 TUNHFQRIIJQZEU-BRWVUGGUSA-N 444.557 4.184 5 20 IIBD C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1ccc([N+](=O)[O-])cc1I 611549785 ZZUMABVGIBMFSV-IUCAKERBSA-N 442.175 4.002 5 20 IIBD COC(=O)c1cc(NC(=O)N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c(C)c([N+](=O)[O-])c1 617019880 FESMFRUXQOEFDF-LAUBAEHRSA-N 441.484 4.321 5 20 IIBD C[C@@H](C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 617698791 LUWGVEFXSPEIGP-OAHLLOKOSA-N 425.466 4.138 5 20 IIBD COC(=O)c1oc2ccccc2c1COC(=O)c1cc([N+](=O)[O-])ccc1Br 725988158 QEMBGSYIJUVFNZ-UHFFFAOYSA-N 434.198 4.247 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N[C@H](c1ccccc1)[C@H]1CCCO1 727828934 DNQJCXQJPHHZBI-IAGOWNOFSA-N 430.404 4.221 5 20 IIBD O=C(/C=C\c1cccc(OC2CCCC2)c1)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 727884856 CUNFCUFAHJPIJG-FLIBITNWSA-N 436.464 4.062 5 20 IIBD CCCC(=O)Nc1ccc(OC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(C(C)=O)c1 727968391 IGMBADKWHFXBCR-UHFFFAOYSA-N 439.468 4.355 5 20 IIBD COc1ccc(COC(=O)c2nc(C)n(-c3c(Cl)cccc3Cl)n2)cc1[N+](=O)[O-] 728380149 LHHAXORASHGMNG-UHFFFAOYSA-N 437.239 4.156 5 20 IIBD O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1csc(-c2cccs2)n1 729192433 JYOYORBGASURBS-UHFFFAOYSA-N 430.511 4.248 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccccc1OCc1cccs1 730619228 XAOIBIANYMKDOQ-UHFFFAOYSA-N 426.450 4.339 5 20 IIBD Cc1ccc(Cl)c(O[C@H](C)C(=O)OC[C@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])c1 730710182 XLBKXHWQBRLAOP-HZPDHXFCSA-N 446.887 4.172 5 20 IIBD CC(C)(CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1Cl 733667785 PKOQGNZFMRJYCV-UHFFFAOYSA-N 428.247 4.073 5 20 IIBD COc1ccc([C@H]2[C@@H](COC(=O)c3cc(SC)c(OC)cc3[N+](=O)[O-])CCN2C)cc1 735906981 ZTUHNUGMQXZBGC-VFNWGFHPSA-N 446.525 4.184 5 20 IIBD C[C@@H]1C[C@H](c2ccc(F)cc2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 736642038 RDCKBMNXTGGPSD-YPMHNXCESA-N 443.294 4.063 5 20 IIBD CN1C(=O)C[C@H](COC(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc(Cl)c1 737387886 QHKJMWYOYQIBAA-OPAMFIHVSA-N 445.903 4.203 5 20 IIBD C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 738806366 FNRXKXFZFQOCGV-UGSOOPFHSA-N 436.386 4.141 5 20 IIBD CN1C(=O)CC[C@@H](COC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H]1c1cccc(Cl)c1 740603672 KHJPEIOINIFGLG-BTYIYWSLSA-N 441.871 4.496 5 20 IIBD COc1c([N+](=O)[O-])cc(NC[C@@H](C)Oc2ccccc2F)c([N+](=O)[O-])c1Br 742420586 DBTXGCHDAGINSU-SECBINFHSA-N 444.213 4.293 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 742514094 VHBLZWNWEGHKFI-SFHVURJKSA-N 437.924 4.500 5 20 IIBD Cc1cc(C(=O)COC(=O)Cc2cccc([N+](=O)[O-])c2)c(C)n1CCc1cccs1 745334056 REHUSYBRDNUZPU-UHFFFAOYSA-N 426.494 4.286 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 745347853 PQXVXYOYTPTIAV-GJZGRUSLSA-N 439.251 4.196 5 20 IIBD COc1ccc(COC(=O)c2nc(C(C)C)n(-c3ccccc3Cl)n2)cc1[N+](=O)[O-] 748422116 XOLMLUCFEGPPLV-UHFFFAOYSA-N 430.848 4.318 5 20 IIBD Cc1c(C(=O)N2CCC(CCc3ccc(O)cc3)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748833798 DFBKCYSHUXTVQD-UHFFFAOYSA-N 427.457 4.310 5 20 IIBD CCCOC(=O)c1cc(-c2cncnc2)ccc1NC(=O)c1ccc(CC)c([N+](=O)[O-])c1 749168817 FDQINUMFTMOIHO-UHFFFAOYSA-N 434.452 4.433 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1I 751065560 XVROJXGLOZRBFW-UHFFFAOYSA-N 447.572 4.013 5 20 IIBD O=C(CN(Cc1ccccc1)C[C@@H](O)c1ccco1)Nc1ccc([N+](=O)[O-])cc1Cl 752351735 DHPPGMSDPHNTGI-LJQANCHMSA-N 429.860 4.016 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CC[C@@H](Oc2cccc(F)c2)C1 753214380 LUCFHDJSFVGDRI-CYBMUJFWSA-N 443.656 4.443 5 20 IIBD CCN(CCS(C)(=O)=O)C(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34 753734951 ITROUBGCBCYQJW-UHFFFAOYSA-N 435.545 4.440 5 20 IIBD O=C(NCCc1csc(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1Br 753837580 SDNAGQYJAFGUIH-UHFFFAOYSA-N 432.299 4.453 5 20 IIBD Cc1cc(C)n(-c2ccc(CCNC(=O)NCc3cc([N+](=O)[O-])ccc3Cl)cc2)n1 756920224 PLNOPFXPCWETNO-UHFFFAOYSA-N 427.892 4.093 5 20 IIBD Cc1cccc(Cl)c1NC(=O)COC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 757662504 GCFYHICNJKUCPA-UHFFFAOYSA-N 445.781 4.169 5 20 IIBD C[C@@H](c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2Br)c1)N1CCOCC1 758287384 YQKGUWPOIXZTLH-ZDUSSCGKSA-N 434.290 4.003 5 20 IIBD Cc1cc(N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 758478892 BSDJEBWBPFJUFQ-SJLPKXTDSA-N 441.532 4.490 5 20 IIBD O=C(O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 759940294 DSSJHFGLWPVMHA-HOTGVXAUSA-N 443.441 4.164 5 20 IIBD O=C(OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cc2ccccc2cc1OC(F)F 761510728 MNUISNFBAFCWBR-UHFFFAOYSA-N 442.374 4.096 5 20 IIBD CCc1nc2c(s1)[C@H](N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)CCC2 763354983 HESMJNLLDFOZAB-CYBMUJFWSA-N 429.951 4.274 5 20 IIBD Cc1cc(CN(CC(C)C)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)nc(N2CCCCC2)n1 764558636 OHOFOAZUHBQZBM-FMIVXFBMSA-N 437.544 4.382 5 20 IIBD COc1cc(NC(=O)c2ccco2)c(C(=O)O[C@@H](C)c2ccccc2[N+](=O)[O-])cc1OC 764596913 JZVDAJLVUFOQJD-ZDUSSCGKSA-N 440.408 4.375 5 20 IIBD CCCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CCN(C(=O)OC(C)(C)C)CC1 768550943 DSZFHBLBFKIZSZ-UHFFFAOYSA-N 448.564 4.343 5 20 IIBD Cc1cccc(-c2cncc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c2)c1 768673173 HDZYDIDHEOJVKG-UHFFFAOYSA-N 425.828 4.414 5 20 IIBD C[C@H](CC(=O)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1)c1ccncc1 768961183 KYQUTBQPVYOKGO-XLIONFOSSA-N 425.485 4.112 5 20 IIBD CN(C)C(=O)Sc1cccc(COC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 770158160 URDSYWSRDBMSKT-UHFFFAOYSA-N 439.287 4.488 5 20 IIBD CCC(CC)n1nccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 770289939 QFTJABAZMFUAFT-UHFFFAOYSA-N 439.438 4.134 5 20 IIBD Cn1ccnc1[C@@H](O)[C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 770333037 VQUDACBAWSILIE-XOBRGWDASA-N 430.892 4.187 5 20 IIBD CCC(=O)N1CC[C@@H](C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2OCc2ccccc2)C1 772972777 WKYZWPOIIAIHFG-OAHLLOKOSA-N 431.876 4.024 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1sc(C2CCCCC2)nc1C 775123826 VICQQYCYZTXFNV-UHFFFAOYSA-N 433.486 4.212 5 20 IIBD O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccccc1NCc1cccnc1 776080943 MJHCDXZLRRJNLZ-UHFFFAOYSA-N 447.495 4.070 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CNC[C@@H]2COC3(CCOCC3)O2)cc1 776957526 ZZCNGWCWVFMLJD-GOSISDBHSA-N 434.876 4.052 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Oc2cncc(Cl)n2)CC1 777872487 BJZDZHDZKZCKMG-UHFFFAOYSA-N 436.921 4.224 5 20 IIBD CC(C)(C(=O)NOCc1ccc(F)cc1Br)c1ccc([N+](=O)[O-])cc1F 781881491 KKZLOVCFNRWNBG-UHFFFAOYSA-N 429.217 4.161 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)NC1(c2ccc(Cl)c(Cl)c2)CC1 783318811 JWQRWTHRDLQCPF-UHFFFAOYSA-N 428.659 4.299 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 783342033 WORPWNQLBKZWDK-UHFFFAOYSA-N 441.484 4.025 5 20 IIBD O=C(OCc1ncc(Br)s1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 785022514 XZVHRBXEJKQZMA-UHFFFAOYSA-N 441.181 4.112 5 20 IIBD O=C(NC[C@@H](O)c1cc(F)cc(Cl)c1)Nc1ccc(Br)c([N+](=O)[O-])c1 785882122 HWPPRZRUUWLMBF-CQSZACIVSA-N 432.633 4.005 5 20 IIBD O=C(COC(=O)Cc1nc(-c2ccc(F)cc2)cs1)Nc1ccc(Cl)cc1[N+](=O)[O-] 787004633 NXRNKYHHCCXKQZ-UHFFFAOYSA-N 449.847 4.235 5 20 IIBD O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc(Cl)cc2Br)c1Cl 788218261 ZOABIXKRHZDILC-UHFFFAOYSA-N 426.075 4.465 5 20 IIBD COC(=O)c1sc2ccccc2c1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790647441 RWDKZTCZKFNNGB-UHFFFAOYSA-N 436.848 4.248 5 20 IIBD Cc1nc([C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c2ccc(Cl)cc2)no1 790912063 MQVBKJWGKOJDJD-QGZVFWFLSA-N 439.230 4.180 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)Nc2c(C(C)=O)oc3ccccc23)cc([N+](=O)[O-])c1C 791694297 UMUSNPSTUNZDOQ-ZDUSSCGKSA-N 440.408 4.045 5 20 IIBD CNc1c(C(=O)OCc2nc(O)c3c(-c4ccccc4)csc3n2)cccc1[N+](=O)[O-] 793161653 BVRNMZOFVSGBGZ-UHFFFAOYSA-N 436.449 4.371 5 20 IIBD C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 799052175 FACXMVVEUZAEPT-ILHHOCCXSA-N 445.741 4.412 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 799235342 WSRMCFLFLYGWPL-BHYGNILZSA-N 448.520 4.151 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 800150160 DNZPMAULEHXCJU-GJZGRUSLSA-N 443.475 4.463 5 20 IIBD COc1cc(C(=O)O[C@@H]2CCN(CCF)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 802237103 YNDZWBKEGQHRAN-OAHLLOKOSA-N 438.839 4.250 5 20 IIBD CC[C@@H](C)N[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1ccco1 807679779 JUEMEPRYLALNFO-MFKMUULPSA-N 444.713 4.463 5 20 IIBD CC[C@H](c1cccc(OC)c1)N(C)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 808325080 OLESRMYZTHRWHA-MRXNPFEDSA-N 443.319 4.138 5 20 IIBD COc1cnc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c(Br)c1 809277007 IGAUKLAKAPWOPA-UHFFFAOYSA-N 449.305 4.250 5 20 IIBD COc1cc(Cc2noc([C@@H]3C[C@@H](C)CCN3C(=O)OC(C)(C)C)n2)ccc1[N+](=O)[O-] 809434564 FJDFDENDPXOBSW-BBRMVZONSA-N 432.477 4.285 5 20 IIBD CCOc1ccc(NCc2ccc([N+](=O)[O-])c(Cl)c2)cc1S(=O)(=O)N1CCCC1 809682436 PCCZUKGNQZWRIB-UHFFFAOYSA-N 439.921 4.044 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCSC[C@H]2c2ccccc2)c(Cl)cc1Cl 809817446 BFLQTEOLVRCGJQ-HNNXBMFYSA-N 433.338 4.380 5 20 IIBD C[C@]12CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)C[C@@H]1C2(Cl)Cl 809844877 YZBRBNNFYOFMDX-RYUDHWBXSA-N 434.128 4.106 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](C2CCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)CC2)C1 812351268 KAZSIICUKBLBKL-INIZCTEOSA-N 442.516 4.185 5 20 IIBD O=C(NC1CCCCC1)C1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 812947684 VCNNQAAFNFXZGZ-UHFFFAOYSA-N 428.316 4.203 5 20 IIBD CC(C)(C)c1cc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])n(-c2ncccn2)n1 812968631 SDZUHLSXTYEMNO-UHFFFAOYSA-N 435.271 4.427 5 20 IIBD CC(=O)c1cc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cs1 815282624 BNZPFSFSEPESHZ-SECBINFHSA-N 430.360 4.062 5 20 IIBD Cc1cc(Cl)c(C(=O)OCC(=O)N(C)Cc2c(F)cccc2Cl)cc1[N+](=O)[O-] 815406753 UFZFDQIRRZGGQX-UHFFFAOYSA-N 429.231 4.165 5 20 IIBD Brc1ncn(CCSc2nc3ccccc3c3nc4ccccc4n23)n1 821051629 FXDQHNLFQNECTD-UHFFFAOYSA-N 425.315 4.182 5 20 IIBD CC(=O)c1cccc(NC(=O)[C@H](OC(=O)CSc2ccc([N+](=O)[O-])cc2)C(C)C)c1 876231942 KTNMCPAAMWBWBW-HXUWFJFHSA-N 430.482 4.096 5 20 IIBD O=C(COC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] 913251679 AQXWWHBSHRVWTK-JOCHJYFZSA-N 444.447 4.084 5 20 IIBD Cc1ccc(C(=O)C2CCN(C(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)CC2)c(C)c1 914865983 BUNYUOCDFLDECB-UHFFFAOYSA-N 425.441 4.163 5 20 IIBD COc1ccc(CSCC(=O)OCc2ccc(Br)cc2)cc1[N+](=O)[O-] 914915497 BFRZLUSEZLMXRO-UHFFFAOYSA-N 426.288 4.343 5 20 IIBD C[C@@H](OC(=O)/C=C/c1ccccc1OC(F)(F)F)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 914941224 LVDJDMDMOVJTHE-OALRPVAKSA-N 442.321 4.216 5 20 IIBD CCN(CC)C(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1Cl 915170347 YQZHDVCCGBADFT-UHFFFAOYSA-N 434.836 4.199 5 20 IIBD C[C@H](c1ccccc1Cl)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 917923217 SZWMAHLGFNSVTH-SNVBAGLBSA-N 433.711 4.392 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 918537118 GSSNKLLUSWQGGS-OAHLLOKOSA-N 445.447 4.120 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N[C@H]1CCOc2ccccc21 919193501 SOXCOUYIUYXFSU-FQEVSTJZSA-N 448.431 4.184 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 921275451 WANNGGVJYWVKLF-SFHVURJKSA-N 434.562 4.403 5 20 IIBD CC(=O)c1sc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)nc1-c1ccccc1 926052464 GXPRMGRNEFDCGU-UHFFFAOYSA-N 426.410 4.390 5 20 IIBD O=C(Nc1cc(I)ccc1Cl)N1Cc2ccc([N+](=O)[O-])cc2C1 1116255382 WWZODAUSPWJAGX-UHFFFAOYSA-N 443.628 4.401 5 20 IIBD O=C(Nc1cccnc1Cl)c1cc(C(=O)Nc2cccnc2Cl)cc([N+](=O)[O-])c1 1116595826 FDESYNAILAJYEU-UHFFFAOYSA-N 432.223 4.196 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-n2ccc(C(=O)O)n2)c1 1116788058 BKEGQVOQVVHNLG-UHFFFAOYSA-N 426.454 4.232 5 20 IIBD Cn1cc(N2CC[C@H](NCc3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)C2)cn1 1318921974 ZVIKBHSCKDGGJP-KRWDZBQOSA-N 427.892 4.143 5 20 IIBD Cc1cccc(-c2nnc(-c3ccccc3NS(=O)(=O)c3cccs3)o2)c1[N+](=O)[O-] 1322747687 SUISNFBRRIWAGW-UHFFFAOYSA-N 442.478 4.483 5 20 IIBD CC(C)Nc1nnc(SCc2cc(I)cc([N+](=O)[O-])c2)s1 1323866405 QORWTTPDUZFUON-UHFFFAOYSA-N 436.300 4.164 5 20 IIBD CC(C)n1ncc2c1[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)CCC2 1326657558 NSZHQUUJKHXGCK-MRXNPFEDSA-N 425.411 4.268 5 20 IIBD COc1ccc([N+](=O)[O-])cc1-c1nc([C@H](NC(=O)OC(C)(C)C)c2ccccc2)no1 1333200878 HWPUHTMJUFDWDC-QGZVFWFLSA-N 426.429 4.268 5 20 IIBD C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1ccc([N+](=O)[O-])cc1Br 1349656760 SMTMLRZDMOJQIP-JSGCOSHPSA-N 428.327 4.235 5 20 IIBD COc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])o4)CCC3)cc2)s1 1787055738 CBJANZFXVRQHNP-UHFFFAOYSA-N 441.465 4.319 5 20 IIBD O=C(CC(F)(F)F)Nc1ccc(C2(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)CCC2)cc1 1787876748 UTAGOFFPYSSHKB-UHFFFAOYSA-N 439.365 4.434 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@@H]4C4CC4)CCC3)cc2)ncc1[N+](=O)[O-] 1788765445 PRLYOPUOITYQGS-RTBURBONSA-N 434.496 4.092 5 20 IIBD CO[C@@H](C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1)c1ccccc1 1790184518 PZOVCXWFCQYRLY-OAQYLSRUSA-N 448.479 4.058 5 20 IIBD Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2(c4cccc([N+](=O)[O-])c4)CCC2)C3)cc1 1799716178 IUQJIKWULVXIRA-KOUNCHBCSA-N 447.535 4.277 5 20 IIBD Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)s1 1823611386 HEJLUSVDFZKPQD-MRXNPFEDSA-N 431.514 4.105 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CCCCN2C(=O)/C=C/C2CC2)CC1 1824216764 QMUTZBXCUHJUHR-WJQKJCNPSA-N 437.540 4.194 5 20 IIBD CC(C)/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830615827 PEKYCHFPDAVYCC-IRUYWQDXSA-N 431.508 4.179 5 20 IIBD CCCCC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 1831467766 ZKPCFFFESMEABG-YLJYHZDGSA-N 432.565 4.373 5 20 IIBD CSc1ccc(C(=O)OCC(=O)Nc2ccc(Br)cc2C)cc1[N+](=O)[O-] 9621799 ZKUOBJZIVHQOPC-UHFFFAOYSA-N 439.287 4.183 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCN(c4nccs4)CC3)cc2[N+](=O)[O-])cc1 10269511 ARVKZWGIZYRYGY-UHFFFAOYSA-N 440.550 4.473 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1oc2ccccc2c1COC(C)C 10915151 UPMDOHBRWWFLJY-UHFFFAOYSA-N 426.425 4.370 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCCc3ccc(OC(F)F)cc3)cc2)c(C)c1[N+](=O)[O-] 15099065 QTDNIOVPLYOENC-UHFFFAOYSA-N 444.438 4.030 5 20 IIBD Cc1cccc(Oc2ccc(NC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)cc2)c1 15980279 ZJMCOCFGDJLSIG-UHFFFAOYSA-N 426.450 4.351 5 20 IIBD COc1ccc(C(=O)NCC(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)cc1[N+](=O)[O-] 15980780 BRYJVFMCNPTTGJ-UHFFFAOYSA-N 435.436 4.073 5 20 IIBD O=C(CSc1nnc(NCc2ccc(F)cc2)s1)Nc1cc([N+](=O)[O-])ccc1F 16334711 BEFUMOSNPWLSEX-UHFFFAOYSA-N 437.453 4.067 5 20 IIBD COc1ccc([C@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)N2CCCCC2)cc1 18020390 IKEJIHUKACFLOI-QHCPKHFHSA-N 438.528 4.135 5 20 IIBD CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 18099213 XEFOMAOCTMSAEQ-UHFFFAOYSA-N 443.463 4.237 5 20 IIBD CC(=O)c1c[nH]c(C(=O)O[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)c1 18601401 COUIPXLFXBSXHA-IBGZPJMESA-N 441.827 4.316 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nnc1-c1ccc(F)cc1 20170352 WDPIDYQKXDGFJG-LLVKDONJSA-N 433.440 4.271 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H](C)CN2CCCCC2)cc1[N+](=O)[O-] 27764200 NRMHXDSRSIUZFK-INIZCTEOSA-N 441.553 4.152 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccc(I)cc1Cl 29649585 RDRQEACCGKWTLT-UHFFFAOYSA-N 445.644 4.212 5 20 IIBD CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 32552260 QTXAHHXQLVFRBA-UHFFFAOYSA-N 448.504 4.268 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cccc(Cl)c3)cs2)cc1[N+](=O)[O-] 32577916 PLLTZFDWYBVKSA-UHFFFAOYSA-N 437.886 4.028 5 20 IIBD CCOC(=O)c1cc(C(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)cc([N+](=O)[O-])c1 58770848 QLSXANCCHGPZEJ-SFHVURJKSA-N 434.395 4.180 5 20 IIBD CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)CCn1cc([N+](=O)[O-])cn1 63574354 IEISCWSHVBMFJP-UHFFFAOYSA-N 448.888 4.379 5 20 IIBD COC(=O)c1ccc(CN(C)C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 64857549 XBHFEUYTQFOVRY-MRXNPFEDSA-N 448.479 4.222 5 20 IIBD O=C(Nc1cc(-c2nnc3n2CCCCC3)ccc1F)c1cc2cccc([N+](=O)[O-])c2[nH]1 110841250 ABZKPJIRPHGJJV-UHFFFAOYSA-N 434.431 4.452 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1nc(-c2ccccc2Cl)cs1 255945424 HKWNHJJDRQIVDN-NSHDSACASA-N 430.873 4.129 5 20 IIBD CC(C)NC(=O)c1ccc(N2CCO[C@@H](c3ccccc3Br)C2)c([N+](=O)[O-])c1 301161889 UDTRSSGZCISRDA-LJQANCHMSA-N 448.317 4.073 5 20 IIBD C[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)c1cc(F)ccc1N1CCC(O)CC1 301544914 PCRMDXRTGKHWLD-LLVKDONJSA-N 439.285 4.026 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(c2c[nH]c3cc(F)ccc23)CC1 303448703 HUYIOUCQCHCXLQ-UHFFFAOYSA-N 440.475 4.432 5 20 IIBD COc1ccc(CSCC(=O)N2CCCCC[C@@H]2[C@H]2CCCCC2=O)cc1[N+](=O)[O-] 426892225 VNAREWCSTWZUKT-QZTJIDSGSA-N 434.558 4.367 5 20 IIBD Cc1ccc([C@H](C)NC(=O)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)cc1[N+](=O)[O-] 428819074 QVTANEYGWLKSNZ-YROCYRMSSA-N 429.492 4.176 5 20 IIBD C[C@@H]1CN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](c2cccc(C(F)(F)F)c2)O1 428935969 QIOJQJPSJAMJKY-PJIJBLCYSA-N 437.418 4.403 5 20 IIBD Cc1sc(NC(=O)c2cccc(N3CCNC3=O)c2C)nc1-c1cccc([N+](=O)[O-])c1 429016761 DJXUBQJQZZXBNA-UHFFFAOYSA-N 437.481 4.117 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3ccc4oc(CC)nc4c3)CC2)ccc1[N+](=O)[O-] 432161821 KBPVSVUAMFFHKQ-UHFFFAOYSA-N 439.472 4.051 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NCc2csc(CCc3ccccc3)n2)c([N+](=O)[O-])c1 433662099 XAHVYYQSUBBZFL-UHFFFAOYSA-N 447.520 4.413 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCN(c2ccccc2F)CC1 435814679 YPJOJRRJAZOHBL-UHFFFAOYSA-N 437.421 4.061 5 20 IIBD C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCc2ccccc2C1 436087730 DOVPSMNSOVVVLZ-OAHLLOKOSA-N 447.485 4.136 5 20 IIBD CCN(C)Cc1cccc(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1 436134801 OWIWNMXWUOMCSE-UHFFFAOYSA-N 435.474 4.341 5 20 IIBD CCCCCn1c(=O)c2ccccc2n2c(SCc3cc(O)ccc3[N+](=O)[O-])nnc12 436475868 XFEZFPMDMCRBBD-UHFFFAOYSA-N 439.497 4.141 5 20 IIBD CCCOc1cc(NC(=O)C(=O)Nc2ccc(C)cc2C)c([N+](=O)[O-])cc1OCCC 437119129 UGMPEZMXUGTKSS-UHFFFAOYSA-N 429.473 4.366 5 20 IIBD CC(C)(CO)[C@@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 438175012 HZAFNPPKXNMPCF-SFHVURJKSA-N 425.510 4.250 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(CO[C@@H]2CCC[C@@H](C)C2)c1 438721376 KSVDQAGQGJFOKI-DNVCBOLYSA-N 441.484 4.276 5 20 IIBD CCCc1[nH]nc(C(=O)Nc2ccc(Cl)c(C(=O)NCc3cccs3)c2)c1[N+](=O)[O-] 438934239 QDVGWQWQECYCRN-UHFFFAOYSA-N 447.904 4.168 5 20 IIBD Cc1nc(C)c([C@H](C)N(C)S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)s1 439238671 XKGUPGYQUVAYCT-JTQLQIEISA-N 448.364 4.121 5 20 IIBD Cc1cc(N2CCC(NC(=O)c3ccc(SCCC(C)C)c([N+](=O)[O-])c3)CC2)n[nH]1 439946819 CMPHLQGIQJRUFB-UHFFFAOYSA-N 431.562 4.163 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](Cc1ccccc1)c1cccs1 440077827 KLMYKYVGQDUYOH-GOSISDBHSA-N 439.493 4.094 5 20 IIBD CCN(C(=O)c1cc(OC)c(OCCOC)cc1[N+](=O)[O-])c1ccc(Cl)cc1F 441395488 NDTOHXGWYHBJMX-UHFFFAOYSA-N 426.828 4.088 5 20 IIBD CCCCC(=O)N1CSC[C@@H]1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 444013009 WIRLRPHHSLDHHX-HXUWFJFHSA-N 427.526 4.220 5 20 IIBD CC(C)(Cc1ccc(Br)cc1)NC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 445022503 PTJBYVVBITZZPY-UHFFFAOYSA-N 446.305 4.054 5 20 IIBD CC(C)[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1nc2ccccc2[nH]1 445509004 NCLMZZXOOWQVDR-SFHVURJKSA-N 431.290 4.290 5 20 IIBD CC(C)Oc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c(F)c1 447000672 MMUOUOZKUIZFHW-UHFFFAOYSA-N 433.255 4.084 5 20 IIBD Cc1c(Br)ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)c1F 447641932 USVJTJARRIVBRL-UHFFFAOYSA-N 429.267 4.142 5 20 IIBD CCOC(=O)[C@]1(C(C)C)CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 447694350 HRBSQJUEVHMUON-OAHLLOKOSA-N 425.354 4.060 5 20 IIBD Cc1cc(NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)c(C(F)(F)F)cc1[N+](=O)[O-] 461785190 NWAOEIFHOKGTQI-INIZCTEOSA-N 437.418 4.443 5 20 IIBD O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCC(c2noc(C3CC3)n2)CC1 462899931 GCACHGVWUXJYOE-UHFFFAOYSA-N 447.495 4.487 5 20 IIBD Cc1c(Br)cccc1C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 463439620 APTRZMFUJFXKIP-KRWDZBQOSA-N 449.301 4.479 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 464262295 DUAFDHCHDXSHRU-QGZVFWFLSA-N 427.457 4.430 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1 464705348 APWFKGLYDZDSCG-UHFFFAOYSA-N 449.463 4.436 5 20 IIBD CCC[C@@H](NC(=O)[C@H](C)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 464771960 DKBWNYXTTDUFIP-FDDCHVKYSA-N 425.529 4.484 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cc(C(F)(F)F)ccc1NCc1ccccc1 466461068 GRMAZLGWYDBMHZ-UHFFFAOYSA-N 446.385 4.026 5 20 IIBD CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](C(N)=O)c1cccc(Br)c1 468474803 KBMUUEGZONTAHG-LJQANCHMSA-N 444.285 4.276 5 20 IIBD NC(=O)[C@@H]1CCC[C@H](C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)C1 469379690 UCEMREOFAWTEKE-KGLIPLIRSA-N 449.866 4.088 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H](CCO)c3ccco3)c([N+](=O)[O-])c2)c(C)c1 469550871 ZYGNMFSDKASITE-IBGZPJMESA-N 445.497 4.141 5 20 IIBD C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 470176147 UWYLARKDTCCDMY-MOKGIYGOSA-N 449.507 4.312 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@@H](c2ccc(Br)cc2)[C@@H]1C 471055789 GWCHQCUKMOBWPW-ORAYPTAESA-N 449.301 4.358 5 20 IIBD Cc1cc(NC(=O)NCc2ccccc2NS(=O)(=O)c2ccccc2)ccc1[N+](=O)[O-] 473766244 CXWLAVIGPOEODQ-UHFFFAOYSA-N 440.481 4.026 5 20 IIBD Cc1cccc2c1N(C1CC1)CCN2S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 476188296 DJUGLRLSOHTSDJ-UHFFFAOYSA-N 441.431 4.100 5 20 IIBD COC(=O)[C@H]1CCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C[C@@H]1C 476759826 WZBWMBFBOAZIQD-YJBOKZPZSA-N 428.510 4.326 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1ccc(Cl)cc1Br 477406043 PJTAVHXFWQWGJV-UHFFFAOYSA-N 426.075 4.465 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(N)=O)ccc1OCC(F)F 484995750 MYBSCSGBMHHJJU-UHFFFAOYSA-N 439.440 4.090 5 20 IIBD COc1ccccc1CNC(=O)[C@H](C)Sc1ccc(Br)cc1[N+](=O)[O-] 485276846 UQYXFJBJMBFGHW-NSHDSACASA-N 425.304 4.163 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1nc(-c2ccccc2OC)no1 489935151 TYWQRWDBULEBBQ-GFCCVEGCSA-N 428.470 4.256 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CCN2CCCC[C@@H]2C)CC1 492352929 FYAMZFJBPVLOKP-SFHVURJKSA-N 449.617 4.450 5 20 IIBD Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 493212408 ZVCXYXLMMBSSBP-INIZCTEOSA-N 448.545 4.123 5 20 IIBD COc1cc(CNCc2nc(C(F)(F)F)cs2)c([N+](=O)[O-])cc1OCC(F)F 493760730 DCKQLDRFEJRZMN-UHFFFAOYSA-N 427.351 4.012 5 20 IIBD C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 498159555 PIMHYMXOKRIUOJ-XCLFUZPHSA-N 449.529 4.068 5 20 IIBD CN(Cc1ccccc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)C(=O)c1cccs1 498634407 JOJUBAQNEZPPBK-UHFFFAOYSA-N 435.465 4.057 5 20 IIBD CN(C(=O)[C@H]1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1)c1ccccc1 499685452 TUMKAJXFJZASRZ-IBGZPJMESA-N 444.491 4.464 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N(Cc2cccc(Cl)c2)C(C)C)cc1OC 499861781 MWTGSFHMURRGED-UHFFFAOYSA-N 436.892 4.333 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2CN(Cc3ccccc3)CCO2)no1 500793765 NUZCDVZQHRKVOB-BEFAXECRSA-N 426.498 4.405 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 502295387 UKJPBBFTTPUEEM-FQEVSTJZSA-N 440.887 4.435 5 20 IIBD COc1cccc(-n2nc(C)c([C@H]3COCCN3Cc3c(F)cccc3[N+](=O)[O-])c2C)c1 502367007 NXKGXCLGDMGAGL-JOCHJYFZSA-N 440.475 4.119 5 20 IIBD O=C(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)Nc1ccc(NC(=O)c2cccs2)cc1 504509007 HLJBBPJBLGIDIY-UHFFFAOYSA-N 447.476 4.411 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN([C@H](C)c2ccccc2F)C1=O 505404894 VXJXVNSKYZUTGL-KUHUBIRLSA-N 445.516 4.328 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(C(=O)c2ccccc2)CC1 505742672 VKJRDKBKVUOKCT-UHFFFAOYSA-N 427.526 4.085 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)cc1OC 508521885 OEMLHMWAUVFVCB-UHFFFAOYSA-N 449.891 4.388 5 20 IIBD CN(C(=O)c1ccc([N+](=O)[O-])cc1I)c1nc2ccccc2s1 508801374 NRCYCRUDMQESIY-UHFFFAOYSA-N 439.234 4.086 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](c1ccccc1F)c1nccn1C 509391890 FUYYVBKNFJOABK-FQEVSTJZSA-N 425.464 4.177 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)cccc1[N+](=O)[O-] 511393950 LMNRTAYEWARFKV-YOEHRIQHSA-N 435.402 4.313 5 20 IIBD C[C@@H](NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)c1nncn1C 511990204 IVYLRBYRNRTBOP-DSQDWWTGSA-N 448.508 4.141 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NCCn1cccn1 513723060 BWWLHZQPIZRKFV-VKAVYKQESA-N 433.493 4.148 5 20 IIBD COc1cc(C(=O)N2CCC[C@H](COc3ccccc3Cl)C2)c([N+](=O)[O-])cc1OC 513891833 NAFBMRBJNGHUBJ-AWEZNQCLSA-N 434.876 4.197 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(OCc2csc(-c3cccc(OC)c3OC)n2)c1 514434408 DVQVFBKZGAMRAL-UHFFFAOYSA-N 430.438 4.101 5 20 IIBD C[C@@H](COc1ccc(C(C)(C)C)cc1)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 516486290 XUWUFWUCLLFDOY-ZDUSSCGKSA-N 433.892 4.068 5 20 IIBD O=C(Nc1ccc2c(c1)CCO2)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 520000613 RFZCGLIGKFVFPT-UHFFFAOYSA-N 435.402 4.404 5 20 IIBD CCc1nc(CCNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)cs1 522552183 UOXUYNDXDNIXHZ-UHFFFAOYSA-N 427.482 4.387 5 20 IIBD CNc1ccc(C(=O)Nc2cc(-c3cc(F)cc(Br)c3)[nH]n2)cc1[N+](=O)[O-] 523113561 HSEYGJWPQORDSH-UHFFFAOYSA-N 434.225 4.181 5 20 IIBD CCC(=O)c1ccc(OCCCCC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 530517283 OIVFMLOFDITYEE-UHFFFAOYSA-N 439.512 4.085 5 20 IIBD CN(Cc1ccccc1)CC(C)(C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 533600244 ISNPBVIWXIKYOJ-UHFFFAOYSA-N 427.548 4.182 5 20 IIBD C[C@H]1CSc2ccccc2N(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C1 533603460 GEWLWVFNFACFSV-CYBMUJFWSA-N 441.538 4.263 5 20 IIBD Cc1ccc(Br)c(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1 534161986 GNAGNNGIQVGLRX-UHFFFAOYSA-N 448.302 4.198 5 20 IIBD CC[C@H](NC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1c(C)noc1C 534535791 VBUQUODZTZAMHF-ZDUSSCGKSA-N 429.399 4.081 5 20 IIBD CCNc1ccc(C(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] 534963840 NLYKTGHEDXLWQK-FOIQADDNSA-N 434.899 4.242 5 20 IIBD CC1CCN(c2ccc(C(=O)NC[C@@H](C)c3nc(-c4ccccc4)no3)cc2[N+](=O)[O-])CC1 536343028 AEFVVVOVXJSULL-QGZVFWFLSA-N 449.511 4.415 5 20 IIBD CCOc1cc(CN2CC[C@](C)(F)C2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 538823795 DISTZSKBMZDARU-QHCPKHFHSA-N 446.475 4.373 5 20 IIBD COc1cc(C(=O)Nc2cnc3c(c2)CCCC3)c([N+](=O)[O-])cc1OCc1cscn1 541108435 KVDKZNVTEFQJNJ-UHFFFAOYSA-N 440.481 4.165 5 20 IIBD Cn1c(SC[C@H](O)COc2ccccc2[N+](=O)[O-])nnc1-c1ccc(C(C)(C)C)cc1 543121066 XYDKXJQTBBDTGT-QGZVFWFLSA-N 442.541 4.220 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@H](C)c2ccccc2Oc2ccccc2)cc1[N+](=O)[O-] 543961284 HPFGOOSXQLQQFQ-OAHLLOKOSA-N 435.436 4.212 5 20 IIBD O=C(Nc1ccc(N2CCOCC2)cn1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 544423408 SODLTJSHEZDMAH-UHFFFAOYSA-N 442.541 4.361 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1noc(CCc2nnc(-c3ccc(Cl)cc3)o2)n1 544532481 KMINEPYZPUIWPM-UHFFFAOYSA-N 440.847 4.121 5 20 IIBD O=C1COc2ccccc2N1Cc1nc(-c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)no1 546493995 QJLCXBFVRXXIGH-UHFFFAOYSA-N 444.403 4.363 5 20 IIBD COc1cc(Cc2noc(CNc3ccccc3[N+](=O)[O-])n2)ccc1OCC(F)(F)F 547052765 HAOBARYSSUAHEX-UHFFFAOYSA-N 438.362 4.130 5 20 IIBD NS(=O)(=O)c1cccc(N[C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] 553262282 OUSJPIJAGKRBKW-UONOGXRCSA-N 429.420 4.009 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NC[C@@H]3CCOC[C@H]3C)c([N+](=O)[O-])c2)c(C)c1 553644836 DIUAUQDHJXPZEZ-SJORKVTESA-N 433.530 4.097 5 20 IIBD COc1ccccc1[C@H](CN[C@H](c1cccc([N+](=O)[O-])c1)c1nccn1C)N1CCCCC1 556862888 HMHBIKOUAMJYQR-LADGPHEKSA-N 449.555 4.243 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCC=C(c3ccncc3)C2)cc1[N+](=O)[O-])c1ccccn1 556941703 CXIIIRVBLWFFSJ-QGZVFWFLSA-N 429.480 4.487 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1 565962910 VCOCJUKOWVHXHY-LLVKDONJSA-N 429.420 4.489 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 576512364 YKZBFMRBEAYSJA-MRXNPFEDSA-N 430.766 4.361 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CN2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)c1 578827907 OEHFVOOMXFTRBK-KURKYZTESA-N 444.313 4.105 5 20 IIBD Cc1sc(CNc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)nc1-c1ccc(Cl)cc1 587439210 FQDVSRUYHYMVSC-UHFFFAOYSA-N 443.916 4.483 5 20 IIBD C[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(Oc2cccnc2)cc1 588799139 XOTDHAQSWNPZOR-MRXNPFEDSA-N 429.436 4.459 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)Cc1c(C)nn(C)c1C 589199373 GGMCTSSGRKNQET-UHFFFAOYSA-N 442.497 4.032 5 20 IIBD Cc1ccccc1Nc1nc(CN2C(=O)N[C@@](C)(c3cccc([N+](=O)[O-])c3)C2=O)cs1 603677471 UQDHTXIKBBDRAX-NRFANRHFSA-N 437.481 4.071 5 20 IIBD O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N(Cc1ccccn1)c1ccc(Cl)cc1 603998008 GCCBZBCCALCROX-UHFFFAOYSA-N 434.843 4.071 5 20 IIBD Cc1ccccc1CN1CCC(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 604442996 ZLVYNIZYORVPBV-INIZCTEOSA-N 431.920 4.105 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCCN(C[C@H]3CCCO3)CC2)cc1[N+](=O)[O-] 604573347 JRHZECKVBWRLJO-LJQANCHMSA-N 435.590 4.060 5 20 IIBD Cc1nc(COc2cccc(C(=O)Nc3ccnn3-c3ccc([N+](=O)[O-])cc3)c2)cs1 609151426 MATDBVQHIGEDIW-UHFFFAOYSA-N 435.465 4.377 5 20 IIBD O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 609874132 PRNFZTOARJMKMY-GFCCVEGCSA-N 438.709 4.267 5 20 IIBD O=C(NCC1CCN(Cc2cccs2)CC1)c1ccc([N+](=O)[O-])cc1Br 610062730 XGCSCMRGFRGQPP-UHFFFAOYSA-N 438.347 4.061 5 20 IIBD COc1ccccc1[C@@H](NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C)c1ccccc1Cl 610180970 MFVMKRNESKPJLL-NRFANRHFSA-N 442.903 4.366 5 20 IIBD CCCCOc1cccc(CNC(=O)COc2ccc(Br)cc2[N+](=O)[O-])c1 610219171 GSCKISABSCKWBW-UHFFFAOYSA-N 437.290 4.231 5 20 IIBD O=C(CN1CCc2sc(Br)cc2C1)Nc1ccc([N+](=O)[O-])cc1Cl 610990198 RCOLDKDNFOUISL-UHFFFAOYSA-N 430.711 4.069 5 20 IIBD CCN(CC)CCO[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 611206585 MRPOBVQNONYZEG-GOSISDBHSA-N 435.590 4.202 5 20 IIBD CC(C)(C)OC(=O)c1ccccc1C1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 615295506 GQWAPVYCKFCKLY-UHFFFAOYSA-N 426.469 4.276 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)[C@@H](OC2CCCC2)c2ccccc2)cccc1[N+](=O)[O-] 727015638 BEYJSPCSXOOCSE-IERDGZPVSA-N 426.469 4.474 5 20 IIBD O=C(c1ccc2ncsc2c1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727329607 LAGXKAXWKLPNOK-UHFFFAOYSA-N 436.415 4.186 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1csc(-c2ccccc2Cl)n1 727563090 FEIFWWJPCKVQOP-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD CC(C)OC(=O)CNC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 729383839 DXDQBYGURNHQDO-UHFFFAOYSA-N 442.415 4.446 5 20 IIBD O=C([C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)N(Cc1ccccc1)Cc1ccccc1 729650052 KQXLFRUQLFFTLU-FQEVSTJZSA-N 447.466 4.316 5 20 IIBD COc1ccc(OC(=O)c2cnn(-c3cccc(Br)c3)c2C)c([N+](=O)[O-])c1 729945538 KXYQJBJTAXIOOM-UHFFFAOYSA-N 432.230 4.079 5 20 IIBD COc1ccc(NC(=O)COC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 730615759 WJJGHPYEJHTVQQ-ZIAGYGMSSA-N 439.251 4.196 5 20 IIBD Cc1ccc(CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c2ccc(F)cc2)o1 731180939 IOMSTLNQIICXOR-UHFFFAOYSA-N 439.443 4.319 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])c(F)c1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 731518286 HZGMJUIBFZIKRG-CYBMUJFWSA-N 444.415 4.350 5 20 IIBD CC(C)(C)OC(=O)NC1(c2noc(-c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)n2)CCCC1 731799220 OTCBCTKEHNWJTL-UHFFFAOYSA-N 440.460 4.125 5 20 IIBD CCOC(=O)Nc1ccc(OS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 742291643 GCVZEODQVOSZPE-UHFFFAOYSA-N 435.241 4.238 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1c2ccccc2N(C(=O)OC(C)(C)C)C[C@@H]1C 743346063 PZOICGAMYZVCCU-HNNXBMFYSA-N 447.513 4.242 5 20 IIBD C[C@@H]1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CCN1Cc1ccccc1 744427277 PPKBKYOIUGZAAM-IAGOWNOFSA-N 430.936 4.172 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1cccc(COC(C)(C)C)c1C 747437538 UGIVFXRBMQDPLN-UHFFFAOYSA-N 430.457 4.057 5 20 IIBD Cc1c(C(=O)Nc2cc(Cl)cc(Br)c2O)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748858955 RBHGHYYXCFBZMQ-UHFFFAOYSA-N 444.625 4.494 5 20 IIBD COc1cc(-c2noc(COC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)ccc1C 749987244 MRFMBEKXKHIOCN-ZDUSSCGKSA-N 429.454 4.186 5 20 IIBD O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1csc(Cc2ccccc2)n1 750435789 KJSVPYODHSNKFW-UHFFFAOYSA-N 438.509 4.111 5 20 IIBD C[C@@H](OC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1 750963014 HDUAVLAGTLFDLM-SECBINFHSA-N 427.638 4.195 5 20 IIBD COc1ccc(CSCC(=O)Oc2cccc(Oc3ncccn3)c2)cc1[N+](=O)[O-] 751196309 LAPSEUAQERFVJJ-UHFFFAOYSA-N 427.438 4.025 5 20 IIBD O=C(CCc1nc(-c2ccc(Cl)cc2)no1)OCc1nc2cc([N+](=O)[O-])ccc2o1 751635032 KTCBVJWWDDOUIR-UHFFFAOYSA-N 428.788 4.115 5 20 IIBD Cc1nc([N+](=O)[O-])c(Br)n1Cc1cccc(Br)c1OC(F)F 751775388 RWWAZNRSWFPADB-UHFFFAOYSA-N 441.026 4.274 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)cc2)nc1 752136720 MVFGZNNJWXYTQW-INIZCTEOSA-N 434.452 4.215 5 20 IIBD CC1(CNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCOCC1 753325036 JOWRYTQCQOFPBQ-UHFFFAOYSA-N 431.876 4.047 5 20 IIBD COc1ccc(CNC(=O)Nc2cccc3c2CCN3C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 753898629 OWCYBCZHSQSCNB-UHFFFAOYSA-N 442.472 4.223 5 20 IIBD O=C(N[C@@H]1CCCOc2ccc(F)cc21)c1cc(F)cc([N+](=O)[O-])c1Br 754994618 UPOPBJYABYCZOP-CYBMUJFWSA-N 427.201 4.279 5 20 IIBD COc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 755208850 VXMZHRYXIBBUGW-ZHSJKAEUSA-N 432.476 4.379 5 20 IIBD O=C(COC(=O)CCc1cccc([N+](=O)[O-])c1)N[C@H](c1ccc(F)cc1)c1cccs1 756529934 UKRVTUKSFQYIBW-JOCHJYFZSA-N 442.468 4.177 5 20 IIBD CCOC(=O)c1sc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)nc1C(C)C 756923000 PWRFRVHQOZWIKO-UHFFFAOYSA-N 447.922 4.114 5 20 IIBD Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 759801047 CWQPYVVXSIHLAA-KRWDZBQOSA-N 440.953 4.076 5 20 IIBD C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 759838472 ZLNKVXWFOYLYEM-LBPRGKRZSA-N 429.816 4.251 5 20 IIBD O=C(OCC(=O)N(Cc1ccco1)c1ccccc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 760850966 KATNAFDHZCUMPO-UHFFFAOYSA-N 435.436 4.152 5 20 IIBD CCc1cc(O)nc(-c2cccc(NS(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3C)c2)n1 761888611 AVPMBVQYJMSZQZ-UHFFFAOYSA-N 448.888 4.082 5 20 IIBD CC(C)(C(=O)OC1CCN(c2nncc3ccccc23)CC1)c1ccc([N+](=O)[O-])cc1F 763017466 YMKRWIMJEGCQBW-UHFFFAOYSA-N 438.459 4.167 5 20 IIBD COC(=O)c1occc1CN(C(=O)c1cc(F)c([N+](=O)[O-])cc1F)[C@H](C)c1ccccn1 763437405 ASUJDJZVDILXLU-GFCCVEGCSA-N 445.378 4.051 5 20 IIBD CC(C)(C)OC(=O)NCc1cccc(OC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1 764232872 IPZPLVWQKFWCHS-UHFFFAOYSA-N 438.440 4.024 5 20 IIBD CCOc1ccc(C2=CCN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])CC2)cc1 768521085 SEMWKTVJRRGFIG-UHFFFAOYSA-N 438.452 4.284 5 20 IIBD CC(=O)[C@@H](Cc1ccc(F)c(F)c1F)OC(=O)c1ccc([N+](=O)[O-])cc1Br 768716370 AVSQHUFLZXCIIF-CQSZACIVSA-N 446.175 4.132 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N(Cc1ccc(F)cc1)CC(F)(F)F 770084823 MKAYNYIJIXJAHB-UHFFFAOYSA-N 437.349 4.252 5 20 IIBD CN(c1ccccc1)c1ccc(CN2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)cc1[N+](=O)[O-] 770392194 RTZPXONJCNLXLU-QPPBQGQZSA-N 435.528 4.184 5 20 IIBD CN(Cc1nc(CC(=O)Nc2ccc(SC(F)F)cc2)no1)c1ccccc1[N+](=O)[O-] 770939911 UMMOORMFAXVPHZ-UHFFFAOYSA-N 449.439 4.110 5 20 IIBD O=C(Cc1noc(CCNc2ccccc2[N+](=O)[O-])n1)Nc1ccc(SC(F)F)cc1 770965436 VYSZMZQDDIXGFY-UHFFFAOYSA-N 449.439 4.128 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N(CCc1ccccc1)Cc1ccncc1 771177915 BDVISRAGPCDRAN-UHFFFAOYSA-N 447.463 4.235 5 20 IIBD CC[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H](O)c1c(F)cccc1F 771702455 UESOOTIFDRXRKJ-MAUKXSAKSA-N 433.436 4.239 5 20 IIBD CN(C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1)C(=O)OC(C)(C)C 771765387 MJWZNSYWOWCCQB-LBPRGKRZSA-N 446.426 4.334 5 20 IIBD CC(C)c1ccc(N2Cc3ccc(NC(=O)Cn4ccc(=O)c([N+](=O)[O-])c4)cc3C2)cc1 772892922 VOINCDYDJHVCQR-UHFFFAOYSA-N 432.480 4.039 5 20 IIBD O=C(NC[C@H]1COC2(CCCC2)O1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 773340621 FFGIGNDWVSDHJE-KRWDZBQOSA-N 432.860 4.456 5 20 IIBD O=C(Nc1sc2c(c1C(=O)c1ccncc1)CCC2)c1cc(F)c([N+](=O)[O-])cc1F 776392425 CZFASGFAEKLGSA-UHFFFAOYSA-N 429.404 4.302 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2c[nH]cc2-c2ccc(C)s2)c([N+](=O)[O-])c1 778432227 WCHKNWMERSHLMZ-LBPRGKRZSA-N 429.454 4.152 5 20 IIBD O=C(OCc1noc(-c2ccc(F)cc2F)n1)c1cc([N+](=O)[O-])ccc1Br 781174710 BSISLRDDVFRKAQ-UHFFFAOYSA-N 440.156 4.043 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 781348776 DFPFXDGEQCWCTB-CQSZACIVSA-N 443.953 4.246 5 20 IIBD O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781730462 UCXWNGIFQKOPBW-NHCUHLMSSA-N 436.855 4.042 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1I)c1nc2ccccc2o1 781817598 KTIFZBZXQIXCOY-VIFPVBQESA-N 438.177 4.259 5 20 IIBD Cc1[nH]nc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1-c1cccc(Cl)c1 782118210 GZYWKYPMOYFQCK-UHFFFAOYSA-N 429.820 4.426 5 20 IIBD O=C(N[C@@H]1CCCC2(C1)OCCO2)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 782856943 JXQREBNOSCTVQJ-QGZVFWFLSA-N 445.903 4.276 5 20 IIBD Cc1ccc(NC(=O)COC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c(F)c1 783214246 DFRIZRCGACKYFJ-UHFFFAOYSA-N 429.448 4.074 5 20 IIBD Cc1ccc(NC(=O)C(=O)N(Cc2ccccc2)c2ccc(N)cc2Cl)cc1[N+](=O)[O-] 783484172 LJYGNEZHVJCZTH-UHFFFAOYSA-N 438.871 4.311 5 20 IIBD CCN(CC)C(=O)CCC1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 783593889 LXYPPMSUWMLXFC-UHFFFAOYSA-N 426.355 4.218 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C[C@H]21 784561087 PBDCYHROIGCYKG-KBRIMQKVSA-N 429.473 4.106 5 20 IIBD CCO[C@@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)O[C@@H](C)c2ccccc2[N+](=O)[O-])C1(C)C 784847419 AFTHPHQCKNPEOS-ORHBMQHOSA-N 436.505 4.298 5 20 IIBD O=C(COC(=O)C1(Cc2ccccc2F)CC1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 785813576 FDVJHSDYWNDFAR-UHFFFAOYSA-N 440.349 4.257 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC(COc2ccc(Cl)nc2)CC1 788789869 GVVRUAIXXJYJHA-UHFFFAOYSA-N 426.860 4.123 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1 788958883 NJOSJFLVUXSVCO-KRWDZBQOSA-N 448.451 4.179 5 20 IIBD C[C@H](OC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(=O)c1ccccc1C(F)(F)F 789029758 XVTBGRKAFHQBOG-LBPRGKRZSA-N 433.342 4.228 5 20 IIBD Cc1ccc(N2CCOCC2)cc1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 791053098 FQBKNDFZDUKLPJ-UHFFFAOYSA-N 434.290 4.063 5 20 IIBD CC(C)(C)c1nc(CC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cs1 791175173 WJZBQQFSJBPGFZ-UHFFFAOYSA-N 438.347 4.239 5 20 IIBD C[C@@H](NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 792837664 BDVVAEAURRZTAT-MJGOQNOKSA-N 440.500 4.004 5 20 IIBD O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)c1 795782494 KMRSCOPIKXPJCS-LLVKDONJSA-N 439.852 4.097 5 20 IIBD COC[C@@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F 795958066 NEYJBPFKQRDAPC-AWEZNQCLSA-N 437.276 4.049 5 20 IIBD CCCc1[nH]nc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1[N+](=O)[O-] 796265044 HYUAMZIQEGJLBQ-MRVPVSSYSA-N 448.785 4.127 5 20 IIBD COc1c(C(=O)OC[C@H]2CCC(=O)N(C)[C@H]2c2cccc(Cl)c2)cccc1[N+](=O)[O-] 796724004 GTIPWKZTUCADON-KUHUBIRLSA-N 432.860 4.023 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCC[C@H]1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 796973616 QPIRGVWRMZELER-JCURWCKSSA-N 447.454 4.022 5 20 IIBD Cc1ccc(-c2cccnc2)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 797292518 PGTMQTRQTVKHLO-QGZVFWFLSA-N 434.427 4.096 5 20 IIBD Cc1cc(OCC(=O)Oc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)ccc1[N+](=O)[O-] 797512478 TZFNSHZRLUNXHT-OAHLLOKOSA-N 430.457 4.473 5 20 IIBD COc1cc(CNc2cc(N3CCOCC3)ccc2C)c([N+](=O)[O-])cc1OCC(F)F 797606233 JURLLNBYXMCYGV-UHFFFAOYSA-N 437.443 4.004 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)Cc1csc(NC(=O)c2ccccc2F)n1 800149736 SLFYHITUFTZMMO-UHFFFAOYSA-N 432.408 4.071 5 20 IIBD CCCc1noc2nc(CC)cc(C(=O)O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)c12 800323843 AIPQIISOFWTJJN-ZDUSSCGKSA-N 440.456 4.138 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Br)c2cccnc12 800844019 WDJMXZOAEBJJIS-UHFFFAOYSA-N 442.678 4.360 5 20 IIBD CCC1(C(=O)OCc2c(F)cc([N+](=O)[O-])cc2F)CCN(C(=O)c2ccccc2)CC1 803425147 GGUUVIMKGGDJLA-UHFFFAOYSA-N 432.423 4.249 5 20 IIBD O=C(Nc1ccc(Br)cc1)C1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 804401471 VMOIFKKUGAMULV-UHFFFAOYSA-N 449.261 4.121 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N(Cc1ccccc1)C[C@@H](O)c1ccccc1 804407600 XBWDJMUZWAAQLQ-XMMPIXPASA-N 429.476 4.381 5 20 IIBD CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 811068395 UJUYNKACOZNDHM-UHFFFAOYSA-N 440.239 4.175 5 20 IIBD Cc1nc(-c2cnn(C)c2)sc1C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811217443 QPNUBCMSSVXDPK-UHFFFAOYSA-N 441.494 4.241 5 20 IIBD COc1ccc(C(=O)[C@H](C)OC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c(OC)c1 811372853 JDFHNGVYCGGXEO-VIFPVBQESA-N 428.224 4.347 5 20 IIBD Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C(=O)NCC(F)(F)F)cc1F 813290910 SVRJGEUHZXICGF-UHFFFAOYSA-N 433.745 4.240 5 20 IIBD COc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1[N+](=O)[O-] 814431592 MXCNHPRVFQVPIP-QZTJIDSGSA-N 447.532 4.103 5 20 IIBD Cc1nn(C)c2nc(C3CC3)cc(C(=O)OCc3cc([N+](=O)[O-])ccc3C(F)(F)F)c12 815177443 LLIQHAHDWQKVQM-UHFFFAOYSA-N 434.374 4.438 5 20 IIBD CC1(C)CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C[C@H](C(F)(F)F)O1 816995153 NAJLYVGHDIDNQK-SNVBAGLBSA-N 445.619 4.193 5 20 IIBD Cc1ccc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1NC(=O)c1ccccc1 915019604 HUNYVZWEIVYBKC-UHFFFAOYSA-N 448.431 4.379 5 20 IIBD Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1NC(=O)c1ccccc1 915019883 URPIYOZMGNOMPK-INIZCTEOSA-N 447.447 4.340 5 20 IIBD Cc1cc(NC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])ccc1N(C)C 915350027 RRTQZUZATOSOBA-GOSISDBHSA-N 428.489 4.174 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)C(C)(C)c1ccc(Br)cc1 915585424 CGCDALLASPMZAK-UHFFFAOYSA-N 435.274 4.125 5 20 IIBD CCOC(=O)Nc1ccc(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1 916069781 WMAMXAOJRWMAMY-UHFFFAOYSA-N 425.344 4.026 5 20 IIBD Cc1ccc(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] 916690179 LFNPQZDADSNUJB-GOSISDBHSA-N 441.440 4.053 5 20 IIBD C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 917301875 VPKFFYAPXJOODY-JTQLQIEISA-N 428.224 4.279 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCc3ccc([N+](=O)[O-])cc3)cc2[N+](=O)[O-])n1 917790759 USNOSBZITUOCTR-UHFFFAOYSA-N 430.467 4.349 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl 918537236 IQTAXYPDKOMVQA-NSHDSACASA-N 441.267 4.162 5 20 IIBD COc1ccc(-c2nnc(N(C)Cc3ccccc3[N+](=O)[O-])n2C[C@@H]2CCCCO2)cc1 1256729082 KDABVKKRPFJDFP-FQEVSTJZSA-N 437.500 4.067 5 20 IIBD CC(C)n1ncc2c1[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)CCC2 1321184481 KFPIJGUDWPRNFG-ZDUSSCGKSA-N 425.258 4.081 5 20 IIBD CCOc1ccc(O[C@@H](C)c2nnc(-c3cc([N+](=O)[O-])ccc3N3CCOCC3)o2)cc1 1322085290 GKWVVZBVOYSOBZ-HNNXBMFYSA-N 440.456 4.020 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1Cc2ccccc2C2(CCC2)C1 1322410438 XMUZEVYKOVPMEQ-UHFFFAOYSA-N 440.521 4.328 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3nnc(-c4ccncc4)s3)cc2[N+](=O)[O-])C1 1324057423 HPTLLRFVIAGMGD-KBPBESRZSA-N 438.513 4.243 5 20 IIBD O=C1CNC(=O)N1Cc1cccc(NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c1 1324124750 QAGCVANFBSGAEN-UHFFFAOYSA-N 440.843 4.172 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(C[C@@H]2CSCCN2C(=O)OC(C)(C)C)n1 1342548436 CJBYUOHNNRYHQA-CQSZACIVSA-N 434.518 4.157 5 20 IIBD Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br 1355129500 HBJSVDKWLZXNCP-KRWDZBQOSA-N 435.322 4.384 5 20 IIBD CC(=O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3F)CCC2)cc1 1786279725 VXEFKQXWANISBJ-UHFFFAOYSA-N 441.459 4.097 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccc([N+](=O)[O-])o4)CCC3)cc2)nc1 1787479127 GQJXXNCTBIQLGO-DHZHZOJOSA-N 446.463 4.352 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)Nc1ccc(C2(NC(=O)c3cocn3)CCC2)cc1 1790770613 JNCHDQUKOCRUPS-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@H]3CCc4ccccc43)cc2)CCC1)c1ccc([N+](=O)[O-])[nH]1 1791693634 XNEMUDZDIZYVMX-FQEVSTJZSA-N 444.491 4.401 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])NC1(c2ccc(NC(=O)C3=COCC3)cc2)CCC1 1791999521 RIKDWVSPNASYTI-IZZDOVSWSA-N 433.464 4.046 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/C1CCCC1)C2 1800699857 OFLATUWLAZZOAB-SJXSPGMASA-N 429.492 4.041 5 20 IIBD C/C=C/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cc([N+](=O)[O-])ccc2F)CC1 1824949914 VARLZJBXWKTZGA-RXPBTDQBSA-N 443.519 4.028 5 20 IIBD CCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830622792 NUWMCHBCYJOQEZ-LJQANCHMSA-N 433.524 4.403 5 20 IIBD CC(C)/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cc(F)ccc2[N+](=O)[O-])CC1 1832513197 RPNYRWUCWBJRCZ-JLXBBBJOSA-N 445.535 4.108 5 20 IIBD Cc1c(C(=O)N2CC3(CCCN3C(=O)[C@H](C)c3cccs3)C2)cc(Cl)cc1[N+](=O)[O-] 1846565699 ROLYAEFWRFIZKW-CQSZACIVSA-N 447.944 4.239 5 20 IIBD Cc1cc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1Br 3499629 NLBJEOBYTKJPCR-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD COc1cc(C(=O)OCC(=O)c2ccc3c(c2)CCCC3)c([N+](=O)[O-])cc1OC(F)F 10275005 ZWMVCFJGZHWHHI-UHFFFAOYSA-N 435.379 4.123 5 20 IIBD CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)c2ccc([N+](=O)[O-])cc2)nc1C 11231949 BJNJNCYGGXSWFD-UHFFFAOYSA-N 425.466 4.383 5 20 IIBD C[C@@H](OC(=O)c1cc(Br)ccc1Cl)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 11481521 LEEGPGNESUCCCZ-MRVPVSSYSA-N 445.628 4.334 5 20 IIBD CCc1cc(=O)oc2cc(Oc3ccc(S(=O)(=O)N(CC)CC)cc3[N+](=O)[O-])ccc12 15166628 STSAPGNFOUEDOK-UHFFFAOYSA-N 446.481 4.086 5 20 IIBD COc1cc2c(cc1OC)CN(C(=O)c1ccc(NCc3ccccc3)c([N+](=O)[O-])c1)CC2 15977303 YMBGBMFKQOVIQN-UHFFFAOYSA-N 447.491 4.423 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc1[N+](=O)[O-] 24103227 WTAVPALNFVCWCN-UHFFFAOYSA-N 426.454 4.348 5 20 IIBD Cc1cc(Cl)ccc1NC(=O)[C@@H](C)OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 24184487 CVXAQKWTRVDVEB-OAHLLOKOSA-N 445.903 4.343 5 20 IIBD C[C@H](Nc1cccc(Cn2cccn2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 27013770 NUMUTBSXADKWBV-ZDUSSCGKSA-N 433.390 4.298 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2csc(-c3ccc(F)cc3)n2)cccc1[N+](=O)[O-] 27232803 DDCRIJXBQUDUEV-LBPRGKRZSA-N 429.429 4.350 5 20 IIBD Cc1cc(C)c(OCC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c(C)c1 28811742 ONYWSFZNYHEADX-UHFFFAOYSA-N 440.374 4.100 5 20 IIBD CCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)cc1[N+](=O)[O-] 66035865 PLGMWIKOKWDYGL-OAHLLOKOSA-N 425.485 4.426 5 20 IIBD Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(F)c1 69474687 VYXVNQWBTUCWPT-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2nc3ccc(Cl)cc3s2)cc1OC 105336166 HAPNKNJKGRKHGJ-UHFFFAOYSA-N 437.861 4.144 5 20 IIBD Cc1ccc(-c2csc(NC(=O)c3nc(C)n(-c4ccc(F)cc4)n3)n2)cc1[N+](=O)[O-] 105353897 FZMNNAMFDVXXEQ-UHFFFAOYSA-N 438.444 4.307 5 20 IIBD Cc1ccc(-c2csc(NC(=O)COc3ccc4ccc(=O)oc4c3)n2)cc1[N+](=O)[O-] 105354213 AOQGCYVOWAOXAZ-UHFFFAOYSA-N 437.433 4.151 5 20 IIBD O=C(Nc1ccc(-n2cncn2)nc1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 105804631 VOSHZRCBVLIGPZ-UHFFFAOYSA-N 436.815 4.269 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@H](c2ccsc2)N(C)C)cc1[N+](=O)[O-])c1ccccn1 108780481 OZILHVSTLRBKRY-YCRPNKLZSA-N 439.541 4.257 5 20 IIBD Cc1sc(NC(=O)[C@H]2CCCN2C(=O)CC(C)(C)C)nc1-c1cccc([N+](=O)[O-])c1 216173558 SFVJMEKDCIHASB-MRXNPFEDSA-N 430.530 4.392 5 20 IIBD CCS(=O)(=O)c1ccc(N2CCC(NCc3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)cc1 237087746 IQCZYHCYLPQQRK-UHFFFAOYSA-N 445.585 4.270 5 20 IIBD O=c1c(Br)cn(-c2nc(-c3cccs3)nc3ccccc23)cc1[N+](=O)[O-] 301662147 JXMWBGWTTHVXKR-UHFFFAOYSA-N 429.255 4.180 5 20 IIBD Cn1cc(C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 409472144 RJCHQEPWMAPSHW-UHFFFAOYSA-N 447.426 4.252 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3c(s2)C[C@H](c2ccccc2)CC3)c(F)c1 409577645 UHXOGXVWNJNGMV-CYBMUJFWSA-N 433.486 4.264 5 20 IIBD O=C(O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 426826334 DTBLDJOMWFILKA-LSLOVBDISA-N 435.274 4.206 5 20 IIBD CS(=O)(=O)c1ccc(N[C@H](COc2ccccc2F)c2ccccc2)c([N+](=O)[O-])c1 426891122 NTDDSPYTYWPKAT-LJQANCHMSA-N 430.457 4.370 5 20 IIBD CN(C)[C@@H]1CCCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 429553835 QKZJJNAEFJCAIP-DYESRHJHSA-N 430.936 4.344 5 20 IIBD COc1cccc(Cc2nnc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])s2)c1 430947806 FZMGAJVXUHCGNV-UHFFFAOYSA-N 449.286 4.061 5 20 IIBD Cc1c(CNC(=O)N(CCn2ccnc2)Cc2cccc(Cl)c2)cccc1[N+](=O)[O-] 430956331 OFAALXDWAUSKIG-UHFFFAOYSA-N 427.892 4.165 5 20 IIBD O=C(NCc1ccc(N2CCCCCC2)nc1)c1ccc(Br)cc1[N+](=O)[O-] 431168841 SVSQGWVSBVRGOE-UHFFFAOYSA-N 433.306 4.063 5 20 IIBD COc1cccc(C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)c1[N+](=O)[O-] 435829942 ZGWGNKDJKPUJPK-UHFFFAOYSA-N 445.273 4.057 5 20 IIBD CCn1ccnc1[C@@H]1CCCCN1C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 435999402 IYFMAKZYRKMKJZ-FQEVSTJZSA-N 425.533 4.415 5 20 IIBD CN(CCCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1ccccc1F 436066977 LYVIYMSODIMCBV-UHFFFAOYSA-N 439.437 4.355 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC[C@@H]1c1cccc2c1OCCO2 436346865 QLVNJXAAPJAGBG-JOCHJYFZSA-N 426.472 4.430 5 20 IIBD COc1ccc(-c2ccc(CNC[C@]3(O)CCC[C@@H](C(F)(F)F)C3)o2)c([N+](=O)[O-])c1 436397913 BELQQEVPDBUVSQ-YJYMSZOUSA-N 428.407 4.437 5 20 IIBD O=C(Nc1ccccc1)Nc1cccc2c1CCN(C(=O)c1cccc([N+](=O)[O-])c1O)C2 436784380 PNMKEHKYKNNEFY-UHFFFAOYSA-N 432.436 4.143 5 20 IIBD O=C(c1ccc(Cl)cc1)N1CCC[C@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 437126078 MXNFCBOBVDCSNX-SFHVURJKSA-N 441.915 4.292 5 20 IIBD O=C(Nc1nnc(SCc2ccccc2)s1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437531506 BNTINXQBBIUOBO-UHFFFAOYSA-N 441.538 4.935 5 20 IIBD Cc1c(NC(=O)C(=O)Nc2ccc(CN3CCc4ccccc43)cc2)cccc1[N+](=O)[O-] 438803420 SSRBJHXSYOBMLT-UHFFFAOYSA-N 430.464 4.043 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccc(Br)s2)c([N+](=O)[O-])c1 443317670 YJQPYSAIDKASLC-ZJUUUORDSA-N 428.308 4.105 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N=c2cc[nH]c3ccncc23)cc1[N+](=O)[O-] 443642513 ZRHYFBIMLIETGE-UHFFFAOYSA-N 444.472 4.165 5 20 IIBD CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 444120855 IORLSVGSETWMOE-FQEVSTJZSA-N 425.532 4.275 5 20 IIBD Cc1cccc(-c2nnc(-c3ccc(-c4nc(-c5c([N+](=O)[O-])ncn5C)no4)cc3)o2)c1 445575606 RCDJEZVPORBYKL-UHFFFAOYSA-N 429.396 4.071 5 20 IIBD O=C(N[C@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1)c1cc2ccccc2o1 446626457 XQKPGHVUXAQGRV-INIZCTEOSA-N 427.844 4.029 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)N1CCc2ccc([N+](=O)[O-])cc2C1 446911618 TYXQFBRJSUAEIL-GOSISDBHSA-N 431.876 4.396 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21 461620292 ONWXPRDTUJXGAF-NHYWBVRUSA-N 440.568 4.194 5 20 IIBD Cc1ccsc1-c1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1C[C@@H]1CCCCO1 461823095 GKFCMTVFBNSZME-IBGZPJMESA-N 439.541 4.355 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CN1CCCC1)c1ccc(OC)cc1 462774171 NWHFCKQOJSUIPJ-CVDCTZTESA-N 425.529 4.125 5 20 IIBD COc1ccc(C2(CNC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CCOCC2)cc1 463138892 DVVOJURPXMQMKG-UHFFFAOYSA-N 438.402 4.100 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1nc2ccccc2n1C1CCCCC1 465165223 FDZGJSIMLMVALK-UHFFFAOYSA-N 436.468 4.402 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc(Br)cc1Br 466143394 IZXCVNYOFSUEAG-UHFFFAOYSA-N 443.095 4.484 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1CCC(OCCO)CC1 467992228 CQPVAXWLODHAJW-UHFFFAOYSA-N 436.917 4.013 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@H]1CCOc2c(F)cccc21 468287889 IPIBPLMIHTUECG-ZDUSSCGKSA-N 430.379 4.485 5 20 IIBD CCc1cccc(Oc2ccc(NC(=O)[C@@H](CC)Nc3c([N+](=O)[O-])c(C)nn3C)cn2)c1 468394217 YGCPUDWJRRLPCL-GOSISDBHSA-N 438.488 4.216 5 20 IIBD CCn1c(SCCOCC(F)(F)C(F)(F)F)nnc1-c1ccc([N+](=O)[O-])cc1 468465284 DBKSQYCHTKLXDH-UHFFFAOYSA-N 426.367 4.180 5 20 IIBD CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1ccc([N+](=O)[O-])cc1I 470118152 UQKFKPAQERQDGL-LLVKDONJSA-N 442.175 4.002 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)cc1 474297269 BUMMAJYXPWZIBH-UHFFFAOYSA-N 428.432 4.323 5 20 IIBD C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 474658511 ROYBUCNSACNWAW-IDPPAEMMSA-N 444.431 4.107 5 20 IIBD CCC[C@H](O)CNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 475166634 XFXFISCCDAQWOT-XOQYZJNISA-N 425.510 4.412 5 20 IIBD COC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 475883519 VPKINTJBTVWJEX-WIYYLYMNSA-N 448.523 4.493 5 20 IIBD COc1cc(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)cc([N+](=O)[O-])c1C 477843547 SRAUMHCDVJLXBS-UHFFFAOYSA-N 445.273 4.171 5 20 IIBD Cc1c(CNC(=O)N[C@H](c2ccccc2)c2nc3ccccc3n2C)cccc1[N+](=O)[O-] 478898046 KLEGSQDKAGFZDX-JOCHJYFZSA-N 429.480 4.379 5 20 IIBD CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)c1cc(C)ccc1[N+](=O)[O-] 478976827 OYKZAERIHZUVRW-KRWDZBQOSA-N 435.318 4.433 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc4c(c3)CN(C)C(=O)N4)cc2[N+](=O)[O-])C1 478985656 GXYQDMRKNBMJRA-GJZGRUSLSA-N 437.500 4.307 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)c1[N+](=O)[O-] 479134582 QPSAROCUEUXXDX-UHFFFAOYSA-N 432.527 4.190 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCCN(Cc2ccc(Cl)cc2)CC1 484764864 RFLVGPINABTTST-UHFFFAOYSA-N 439.846 4.198 5 20 IIBD COc1cc(CCNC(=O)C[C@H](c2ccccc2)C(F)(F)F)c([N+](=O)[O-])cc1OC 484890757 GZQXRQGFYZTQRA-OAHLLOKOSA-N 426.391 4.007 5 20 IIBD COc1cc(Br)ccc1CCCNC(=O)c1cccc(SC)c1[N+](=O)[O-] 485487285 FOSFZMRQHBDYKR-UHFFFAOYSA-N 439.331 4.450 5 20 IIBD COc1ccc(/C=C/c2nc3ccc(Br)cn3c(=O)c2Cl)cc1[N+](=O)[O-] 486031654 ZNQWYXOBOUUVJN-GORDUTHDSA-N 436.649 4.198 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(NC(=O)c2ccncc2)cc1 486180253 SCMFPSKHSKAKGG-UHFFFAOYSA-N 436.493 4.284 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCCN1Cc1ccc(F)cc1 486692934 HMOQVUVAYFPQPO-GOSISDBHSA-N 425.382 4.034 5 20 IIBD COc1cc([C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C(F)(F)F)cc(OC)c1OC 486834357 DSZUKEMIWJBJLU-INIZCTEOSA-N 429.351 4.046 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(C(=O)C(C)(C)C)cc2)cc1[N+](=O)[O-] 487948398 DEKARYFTIQFDAV-UHFFFAOYSA-N 439.497 4.356 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3nc(-c4nccn4C)cs3)cc2[N+](=O)[O-])C1 488978320 KKIHTCUWULRILE-OKILXGFUSA-N 440.529 4.186 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(C)c(S(=O)(=O)C3CCCC3)c2)c1 491091672 QHGIKBSXVUOZHS-UHFFFAOYSA-N 446.525 4.336 5 20 IIBD COc1cc(OCC(=O)N(C)Cc2cc(Br)ccc2Cl)ccc1[N+](=O)[O-] 494868245 KEQYHZSPHWVUFQ-UHFFFAOYSA-N 443.681 4.057 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cc4c(cc3F)CCC(=O)N4)cc2[N+](=O)[O-])C1 497422351 NATJXCLBBOCTIR-ZIAGYGMSSA-N 440.475 4.353 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)cc1C 498404599 RLDSVIVIUKEMQP-UHFFFAOYSA-N 446.529 4.420 5 20 IIBD COc1cc(CCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OC 499678753 SPWGDXVNKGZAPO-CABCVRRESA-N 439.295 4.381 5 20 IIBD COc1cc(CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])ccc1OCC(F)(F)F 500728875 HGORWFXKTVSMIH-UHFFFAOYSA-N 430.404 4.196 5 20 IIBD O=C(Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)c1ccc([N+](=O)[O-])cc1Br 505174048 YKDILGJRMHHQNI-ROUUACIJSA-N 435.274 4.292 5 20 IIBD CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 505412652 CBXBFOXBAWSQDF-FQEVSTJZSA-N 446.345 4.195 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)c3ccccc3)c2C)c([N+](=O)[O-])c1 509554377 GEKNURLQTGZLLV-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD COc1cc(C(=O)N(C)[C@@H](C)c2ccccc2)c([N+](=O)[O-])cc1OCc1cscn1 512600490 WGXOGRPWNXYJQT-AWEZNQCLSA-N 427.482 4.472 5 20 IIBD COc1ccccc1SC[C@@H](C)CN[C@H](c1ccc([N+](=O)[O-])cc1)c1nccn1C 513653833 GAIHKPCRQIGBCF-HRAATJIYSA-N 426.542 4.444 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccccc1COCc1ccccc1)c1cccc([N+](=O)[O-])c1 518135451 JCQSQWIAALNQAP-KRWDZBQOSA-N 433.464 4.128 5 20 IIBD CC(=O)N(c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1)[C@H]1C[C@H]1C 519724372 JIHMZVNLAWNXIQ-ZMZPIMSZSA-N 432.274 4.371 5 20 IIBD O=C(Nc1c(F)cc(Br)cc1F)N1CCOc2ccc([N+](=O)[O-])cc2C1 522037473 KXXCJNHKQCQOTE-UHFFFAOYSA-N 428.189 4.062 5 20 IIBD COc1cc(C(=O)Nc2ccc(-n3ccnc3)c(Cl)c2)c([N+](=O)[O-])cc1OC(F)F 523852431 NRMVJURRLIOZNV-UHFFFAOYSA-N 438.774 4.296 5 20 IIBD Cc1ccc([C@@H]2COCCN2C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)o1 523973655 JMWRLDAWOKJOJX-IERDGZPVSA-N 436.468 4.278 5 20 IIBD Cc1nc2ncnn2c(C)c1CCC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 524214541 SAJJCJIDSUOQTL-UHFFFAOYSA-N 432.440 4.013 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCSC[C@@H]1c1ccccc1 524533099 MNLHHSLPAKGHII-QGZVFWFLSA-N 426.416 4.466 5 20 IIBD C[C@@H](Sc1n[nH]c(-c2cc(F)cc(F)c2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 525626780 XGSVXVAGNIYQTI-MRVPVSSYSA-N 439.831 4.431 5 20 IIBD CN1Cc2ccccc2[C@H](NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 533878675 YQJGXWNENHQNCZ-OAHLLOKOSA-N 425.432 4.009 5 20 IIBD C[C@@H](c1ccccc1)n1c(SCCn2cc([N+](=O)[O-])ccc2=O)nnc1-c1ccccc1 534934520 OAEBFAOLDAQRTQ-KRWDZBQOSA-N 447.520 4.417 5 20 IIBD O=C(Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1)c1c[nH]c2cccc([N+](=O)[O-])c12 536514874 VCJISOXJWJLYNJ-UHFFFAOYSA-N 445.357 4.472 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NC[C@H]3CCO[C@@H](C)C3)c([N+](=O)[O-])c2)c(C)c1 537823835 STUAUXSJODXAII-IRXDYDNUSA-N 433.530 4.239 5 20 IIBD C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 537934452 NWDXSNXWNLAIRC-SNVBAGLBSA-N 443.308 4.065 5 20 IIBD CO[C@@H](c1ccccc1F)[C@@H](C)Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl 539393298 UAEDWBHUDDKIFY-CWTRNNRKSA-N 432.839 4.121 5 20 IIBD Cc1cc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc(C)c1OCc1ccccn1 539837575 MQKCNHFOOUNLJB-HXUWFJFHSA-N 433.512 4.267 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnn(S(=O)(=O)c3ccc(C(F)(F)F)cc3Cl)c2)c1 540868173 OLSMDKGMAOLCNG-UHFFFAOYSA-N 431.779 4.368 5 20 IIBD CC[C@@H](N[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1c(C)noc1C 541638913 ZXRWPIFTFDKAAL-BLLLJJGKSA-N 429.502 4.391 5 20 IIBD COc1ccc(NC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)cc1[N+](=O)[O-] 542001375 KUIQGHRPAOXZOD-GOSISDBHSA-N 434.290 4.142 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(N[C@@H](C)c2nc3ccccc3n2CC)c([N+](=O)[O-])c1 545209420 BJEDBFFWAHRRGB-HNNXBMFYSA-N 445.545 4.168 5 20 IIBD CCOC(=O)c1cc(-c2nc(-c3cc(Br)ccc3OC)no2)cc([N+](=O)[O-])c1 545632334 QENJDQOBYVCFAV-UHFFFAOYSA-N 448.229 4.260 5 20 IIBD O=[N+]([O-])c1cccc(/C=C\c2nc(Cc3nc(O)c4c5c(sc4n3)CCCC5)no2)c1 546241878 ILVSFOZMOCXSCY-HJWRWDBZSA-N 435.465 4.328 5 20 IIBD Cc1cccc2c(Cc3noc(-c4ccc(Sc5nncn5C)c([N+](=O)[O-])c4)n3)c[nH]c12 547125875 VRVBJXDOJMHZRC-UHFFFAOYSA-N 447.480 4.305 5 20 IIBD CS(=O)(=O)Cc1ccc(-c2nc(-c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3)no2)o1 547194839 OPCVCGKGILSFPN-UHFFFAOYSA-N 441.421 4.242 5 20 IIBD CNC(=O)Nc1cc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)ccc1F 553032837 AKJXSLABCYFPCS-UHFFFAOYSA-N 440.381 4.102 5 20 IIBD CSCc1cccc(CNCc2cc(I)cc([N+](=O)[O-])c2)c1 565686444 IOPCSLKOROSAAA-UHFFFAOYSA-N 428.295 4.352 5 20 IIBD C[C@@H](c1cccc([N+](=O)[O-])c1)c1nc(CC(=O)Nc2ccccc2Br)no1 571446885 WGQTWMJLYUQKDV-NSHDSACASA-N 431.246 4.073 5 20 IIBD CC(C)(CO)[C@@H](NCc1cc(I)cc([N+](=O)[O-])c1)c1cccs1 573765649 IODLQKQVVMEQNN-HNNXBMFYSA-N 446.310 4.110 5 20 IIBD CN1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H]1c1cccs1 573867749 IFJJMQJVVDMKDO-SJCJKPOMSA-N 427.448 4.488 5 20 IIBD COCC1(c2noc(CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)CCCCC1 574006780 ZYXMUTQVVQDYGD-UHFFFAOYSA-N 428.411 4.500 5 20 IIBD O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 576951704 RELIJPASICPZFL-UHFFFAOYSA-N 442.357 4.237 5 20 IIBD COc1ccc(Cc2nc(-c3ccc(-n4cc(Cl)cn4)c(F)c3)no2)cc1[N+](=O)[O-] 580025146 UPSBPGGNAUZYEU-UHFFFAOYSA-N 429.795 4.222 5 20 IIBD C[C@H](NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1)c1cccc([N+](=O)[O-])c1 603967054 WIDYJSXELDYNNB-KURKYZTESA-N 439.512 4.254 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc(-n2cccn2)cc1C(F)(F)F 604477175 LVLAPUKEFIIINS-UHFFFAOYSA-N 429.358 4.393 5 20 IIBD O=C(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCc2sccc2[C@@H]1c1ccccc1 608869656 AAJRKQDNNSWRJI-QFIPXVFZSA-N 445.504 4.089 5 20 IIBD O=C(NC[C@H](c1cccc(Cl)c1)N1CCOCC1)Nc1ccc([N+](=O)[O-])cc1Cl 608887682 PFOJZSRXUFOFOA-GOSISDBHSA-N 439.299 4.097 5 20 IIBD COc1ccc(C)cc1-c1csc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)n1 608934153 RXMSDGVLVGSYSY-UHFFFAOYSA-N 427.438 4.059 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 608965362 WQZPOZHEYUHOQQ-SFHVURJKSA-N 431.420 4.210 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1 609076294 UYRMIBWLXYXIBN-UHFFFAOYSA-N 436.917 4.317 5 20 IIBD C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 609508221 FLHNDRCEXCQHSX-XOBRGWDASA-N 426.860 4.036 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 609771315 WFKSGIIODHUHHG-UHFFFAOYSA-N 447.419 4.491 5 20 IIBD Cc1cc(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)cc(S(=O)(=O)N(C)C)c1C 609860431 URXCCJVYGMDEOO-UHFFFAOYSA-N 445.541 4.051 5 20 IIBD COC(=O)[C@H](c1ccccc1)N(C)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 609861541 DKMBYOLPLLXCGB-AOMKIAJQSA-N 448.479 4.149 5 20 IIBD COc1cc(C(=O)Nc2cc(Cl)cc(Br)c2OC)cc([N+](=O)[O-])c1OC 610170362 NSSBCCLKSKDTJH-UHFFFAOYSA-N 445.653 4.289 5 20 IIBD COc1ccccc1-c1cc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)n[nH]1 611078480 GDQDZWNHVLCXHL-UHFFFAOYSA-N 431.246 4.317 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc1OC 612521380 MOIAWZWVSQHDOM-IBGZPJMESA-N 447.919 4.222 5 20 IIBD CC(C)N(C(=O)COc1c([N+](=O)[O-])cnc2ccc(Br)cc12)C1CCCC1 612661201 TYRUZPOLQJOUAU-UHFFFAOYSA-N 436.306 4.464 5 20 IIBD O=C(Nc1ccccc1-c1noc(CCOc2ccc(Cl)cc2[N+](=O)[O-])n1)C1CC1 612897491 WLXCGHXXHPOKAJ-UHFFFAOYSA-N 428.832 4.268 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Oc3cccnc3)cc2)no1 612917943 ZLMKXIWUBORXGW-AWEZNQCLSA-N 431.408 4.323 5 20 IIBD CO[C@]1(C(F)(F)F)CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 614897880 DYPAKZSSGWBKIX-HXUWFJFHSA-N 437.418 4.390 5 20 IIBD CN(C)C[C@H]1CN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c2ccccc2O1 618676844 FESUVFSMNNAIEB-FQEVSTJZSA-N 447.491 4.143 5 20 IIBD COc1ccccc1-c1c[nH]cc1C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 726054580 RXHTZSKQVVYOOP-UHFFFAOYSA-N 429.816 4.047 5 20 IIBD COc1ccc(CC(=O)O[C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc23)cc1[N+](=O)[O-] 727888102 SNAFYTTVJKSIKK-JKSUJKDBSA-N 436.464 4.108 5 20 IIBD CCCCC[C@H](NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)c1ccccc1 728134887 PDQHTMVLPZIPML-SFHVURJKSA-N 444.557 4.445 5 20 IIBD Cc1ccc(C(C)C)c(O[C@H](C)C(=O)O[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 731514126 PDYAVAGUWJBWHN-UZLBHIALSA-N 426.469 4.143 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 732578726 PDDOPNSSQSQRDG-CYBMUJFWSA-N 430.823 4.457 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1ccc([N+](=O)[O-])cc1Cl 733387896 HUMRXYSGQOSECX-OAHLLOKOSA-N 428.750 4.229 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(CSC3CCOCC3)c2)ccc1Cl 734807199 KRHJCKRTENWQMR-UHFFFAOYSA-N 442.946 4.461 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1CN1CCN(CCCc2nc(-c3cccs3)no2)CC1 734834961 FSKIJVBZNWSJCS-UHFFFAOYSA-N 447.948 4.110 5 20 IIBD O=[N+]([O-])c1cccc(/C(O)=C(/C(=S)NC2CCCCC2)[n+]2cc(O)cc(Cl)c2)c1 738013122 MSBNYGNTGGRYIU-UHFFFAOYSA-O 434.925 4.375 5 20 IIBD CC(C)(C)OC(=O)N1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)c2ccccc21 741737744 FYSYIIAIYILYCB-UHFFFAOYSA-N 427.457 4.152 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(C)c(NC(=O)OC(C)(C)C)c2)cc([N+](=O)[O-])c1 742691057 WDIYHVYBKPLYTK-UHFFFAOYSA-N 429.429 4.289 5 20 IIBD O=Cc1ccc(OCC(=O)Nc2cc(Br)cc(C(F)(F)F)c2)c([N+](=O)[O-])c1 742770691 YCJGYRTVKXXNNH-UHFFFAOYSA-N 447.163 4.206 5 20 IIBD COc1cc(C(=O)O[C@@H]2CCN(C(C)C)C2=O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 746936887 RTMYYKAZXVUNDP-GOSISDBHSA-N 448.859 4.215 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2ccc(Oc3ccccc3)o2)c([N+](=O)[O-])c1 748913239 SKYWJXOYPICBAT-UHFFFAOYSA-N 426.381 4.174 5 20 IIBD CCCN(C(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-])c1cccnc1 750227273 AVGHFFKFPGTFIH-UHFFFAOYSA-N 428.470 4.091 5 20 IIBD CC(C)[C@H](OC(=O)c1cccc(Cl)c1[N+](=O)[O-])C(=O)N[C@H]1CCOc2ccccc21 750536163 PFNJRDVSADQCAC-LPHOPBHVSA-N 432.860 4.070 5 20 IIBD CCSc1ccc(Cl)cc1NC(=O)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 751271904 KWCPXBDHDFCEOG-UHFFFAOYSA-N 439.833 4.292 5 20 IIBD O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)OCc1nc2cc([N+](=O)[O-])ccc2o1 751620418 ZXIJWJXWVYMOGP-LJQANCHMSA-N 445.431 4.341 5 20 IIBD Cc1cc(NC(=O)[C@H](C)OC(=O)c2c(F)ccc([N+](=O)[O-])c2F)ccc1Br 752568864 UINDQDXKDLMGDO-VIFPVBQESA-N 443.200 4.128 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(OCc3ccncc3)cc2)cc1[N+](=O)[O-] 753080023 OXOGSSDCGUDJRT-UHFFFAOYSA-N 433.873 4.331 5 20 IIBD C[C@H](C(=O)N1[C@H]2CCC[C@H]1CC(NC(=O)OC(C)(C)C)C2)c1ccc([N+](=O)[O-])cc1F 754370212 SBYXRLPSLUBESS-BPUTZDHNSA-N 435.496 4.274 5 20 IIBD CCOc1cc(COC(=O)c2csc(-c3ccc4c(c3)OCCO4)n2)ccc1[N+](=O)[O-] 755554782 NCQYPIZKOHRLSZ-UHFFFAOYSA-N 442.449 4.245 5 20 IIBD C[C@](O)(CC(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CC1 756320464 MAZZCAWDXLLDFR-CTNGQTDRSA-N 432.860 4.022 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cccc([N+](=O)[O-])c1Br 757886690 XDKDJUXONOWYCL-UHFFFAOYSA-N 443.301 4.149 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 765062373 TVDPOLZMWPLLGB-AEFFLSMTSA-N 442.516 4.308 5 20 IIBD COc1ccc(CNC(=O)CC2(CNC(=O)OC(C)(C)C)CCCCC2)cc1[N+](=O)[O-] 766110137 TUKFVOHQBZKIRZ-UHFFFAOYSA-N 435.521 4.085 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 768544637 PSPCZPGIIXNAQL-OXQOHEQNSA-N 443.548 4.263 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cncc(-c3cccc(C)c3)c2)c([N+](=O)[O-])c1 768682466 ZXWUDKZVRFQYRO-OAHLLOKOSA-N 435.436 4.158 5 20 IIBD COc1ccc(CNc2ccc(NC(=O)CN3CCCCCCC3)cc2)cc1[N+](=O)[O-] 770550372 OOZLTXWQJUHOII-UHFFFAOYSA-N 426.517 4.420 5 20 IIBD C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](C)[C@H](O)c1c(Cl)cccc1Cl 773038743 GXNAWXVRPOZDKZ-CLUVUEOHSA-N 426.300 4.330 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 773879396 DZXQNYKUEKZFDU-YFHOEESVSA-N 447.413 4.048 5 20 IIBD CCNc1ccc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cc1[N+](=O)[O-] 775495256 FULQSHVPEICYAD-UHFFFAOYSA-N 427.442 4.335 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O 778800680 KYEVQVMJTRFGFR-FZKQIMNGSA-N 445.859 4.066 5 20 IIBD Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)OC(=O)c1cccc([N+](=O)[O-])c1Br 781675199 BSOHSHAECUNTKR-OLZOCXBDSA-N 435.274 4.088 5 20 IIBD CC(C)[C@H](OC(=O)c1cccc([N+](=O)[O-])c1Br)C(=O)N1C[C@H](C)C[C@@H](C)C1 781678655 UADRTOSJRRPXGH-XNJGSVPQSA-N 441.322 4.043 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)CC2 782452258 HKRBAQMCYZJZDK-VYDXJSESSA-N 435.546 4.076 5 20 IIBD CC[C@@H](C)n1c(-c2ccccc2)nn(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1=S 782859767 DEEJDVPAMPHJDE-MRXNPFEDSA-N 441.561 4.451 5 20 IIBD O=C(c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1C[C@@H]2C[C@@]2(CO)C1 783792028 QNTVWAWCRCDQIU-DJJJIMSYSA-N 438.427 4.219 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 785124282 PHGDLEONGUISHT-LBPRGKRZSA-N 441.793 4.222 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCC1(c2cccc(Cl)c2)CCOCC1 790573167 MHXTWZRTFZUYRP-UHFFFAOYSA-N 441.286 4.448 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(C(=O)OCc2ccccc2)c1 791563701 PVVKNFPVCLJABV-UHFFFAOYSA-N 434.448 4.281 5 20 IIBD O=C(Nc1ccccc1)c1cccc(C(=O)O[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 797137838 RQDNQSFQVSTRPU-UXHICEINSA-N 434.452 4.384 5 20 IIBD O=C(c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O)N1CCC(c2ccccc2)CC1 798157914 NVERXWPQWMHFFS-UHFFFAOYSA-N 426.860 4.159 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Br)N(CCc1ccccn1)Cc1ccncc1 798219667 NLXKCUFIVAASMM-UHFFFAOYSA-N 441.285 4.032 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N(C)Cc2nc(-c3cccs3)no2)CC1 804139661 HXNIOAQUYZQPTD-UHFFFAOYSA-N 441.513 4.215 5 20 IIBD C[C@@H](Cc1cncc2ccccc12)C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 805877808 UDRJAIHLNNTKID-PXNSSMCTSA-N 447.491 4.170 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)NC2CCC(O)(c3ccccc3)CC2)c(Cl)cc1Cl 809830719 BFFHYOZARBMMEW-UHFFFAOYSA-N 445.324 4.010 5 20 IIBD C[C@@H](C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)n1ccc2ccccc2c1=O 811219807 ZMPMMKUJWUUNOY-AWEZNQCLSA-N 435.461 4.338 5 20 IIBD O=C(CC[C@H]1Cc2ccccc2NC1=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811220371 IESINTXHIRLPSW-HNNXBMFYSA-N 437.477 4.353 5 20 IIBD O=C(O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)c1cccc(OCc2cscn2)c1 813173103 WBKNMOLFTAQQRT-NRFANRHFSA-N 439.493 4.062 5 20 IIBD COc1ccc(N2C[C@@H](C(=O)OCc3nc4ccccc4c4ccccc34)CC2=O)cc1 913322386 KBZOUZSVTRKMAR-KRWDZBQOSA-N 426.472 4.493 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)CCOc1ccc2ccccc2c1 914913977 BWPQZCHRCIRGNU-HNNXBMFYSA-N 438.436 4.096 5 20 IIBD O=C(Nc1nc2ccc(Br)cc2s1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 915808734 MOSMTZPVCSCBPO-UHFFFAOYSA-N 444.270 4.405 5 20 IIBD Cc1cc(C)c(-c2csc(NC(=O)COc3ccc(C=O)cc3[N+](=O)[O-])n2)cc1C 916591337 YKTGZHULSRJUKR-UHFFFAOYSA-N 425.466 4.474 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)s1 917068987 LDBFXXHNEUYMRB-UHFFFAOYSA-N 435.439 4.466 5 20 IIBD Cc1ccc(NC(=O)Nc2ccccc2)cc1NS(=O)(=O)c1cc(F)ccc1[N+](=O)[O-] 917739440 HQCJECMFPHHCGF-UHFFFAOYSA-N 444.444 4.487 5 20 IIBD COc1ccc(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 918379582 MEFZKWKTAPXTDT-UHFFFAOYSA-N 436.424 4.054 5 20 IIBD C[C@@H](OC(=O)CCc1ccc(-c2ccccc2)[nH]1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 919598580 ZAZFYSPVOSKCMJ-CQSZACIVSA-N 425.416 4.232 5 20 IIBD O=C(Cn1nc(-c2ccccc2)ccc1=O)Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-] 920329406 KABBJSRUTXPWAJ-UHFFFAOYSA-N 427.416 4.091 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@@H]3CNc4ccccc43)CCC2)cc1)c1ccc([N+](=O)[O-])o1 1785747760 KEOMLPVIRFLOIQ-GOSISDBHSA-N 446.463 4.145 5 20 IIBD Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])[nH]4)CCC3)cc2)c1F 1785945501 PMAPXSJFHPSPIM-UHFFFAOYSA-N 436.443 4.432 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@@H]3CCc4ccoc4C3)CCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 1790184607 XYBYYJKIDUOPGJ-MRXNPFEDSA-N 448.479 4.069 5 20 IIBD O=C(Cc1ccccn1)NC1(c2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2)CCC1 1790696477 JXURWSZYPGPHQD-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1 1830058242 MDEQVSPQKAYJRU-LJQANCHMSA-N 425.485 4.043 5 20 IIBD CCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cc(F)ccc2[N+](=O)[O-])CC1 1831392265 DWFDKLBOJLMDSB-FQEVSTJZSA-N 447.551 4.332 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)c1ccc(Cl)c(Cl)c1 10016943 RMOAHNXJRXYLHP-LLVKDONJSA-N 440.283 4.002 5 20 IIBD COc1ccc([N+](=O)[O-])cc1OCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 10844712 LFLCEJRQWLFNRM-OAHLLOKOSA-N 443.506 4.483 5 20 IIBD Cc1nn(Cc2ccc(C(=O)OCc3cc(-c4ccccc4)on3)cc2)c(C)c1[N+](=O)[O-] 19284145 WPUYCMSAQDBLQO-UHFFFAOYSA-N 432.436 4.468 5 20 IIBD C[C@H](OC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 19425881 GTPLLHYJAGSMMB-ZDUSSCGKSA-N 429.429 4.126 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CCC([C@@H](O)c4ccccc4)CC3)cc2)c(C)c1[N+](=O)[O-] 23384844 IZULWYOBXHVTNB-DEOSSOPVSA-N 448.523 4.042 5 20 IIBD Cc1cccc(NC(=O)CN(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c1C 24738376 GYXMCCRYLVFMGL-UHFFFAOYSA-N 438.528 4.159 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O 26765425 GPWVHKCGHKNREO-UHFFFAOYSA-N 432.358 4.029 5 20 IIBD CCCCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nc2ccccc2c1=O 28383934 JDXHIDKEINDUBV-UHFFFAOYSA-N 446.916 4.489 5 20 IIBD Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)Nc2cccc(F)c2)n1 28809943 BVKDLQRMXBTPEG-UHFFFAOYSA-N 447.469 4.446 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 60190571 FPWBTRNYSFXERN-UHFFFAOYSA-N 426.853 4.113 5 20 IIBD COc1cc(C(=O)Nc2nnc(SCc3cccs3)s2)c([N+](=O)[O-])cc1OC 60934277 CSSVNKIIUVJIKG-UHFFFAOYSA-N 438.512 4.070 5 20 IIBD O=C(Nc1cccc(Cl)c1-n1cncn1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 64908089 XQLSCPWMPIJFCW-UHFFFAOYSA-N 426.845 4.205 5 20 IIBD O=C(COc1ccc2cc(Br)ccc2c1)NCCc1ccc([N+](=O)[O-])cc1 65123875 UETZCUJKGOUVKI-UHFFFAOYSA-N 429.270 4.248 5 20 IIBD O=C(Nc1ccc(Sc2nncs2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 71940942 HZNPOHWPAVYYDK-UHFFFAOYSA-N 427.511 4.450 5 20 IIBD CN(C)c1ccc(Cl)cc1NC(=O)c1cc([N+](=O)[O-])ccc1I 97513460 NFILIEOHHTWSEO-UHFFFAOYSA-N 445.644 4.171 5 20 IIBD Cc1cc(C(=O)N[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] 107647839 DAPQMFGJYOPFGU-KRWDZBQOSA-N 435.402 4.016 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)c2oc3ccccc3c2C)ccc1[N+](=O)[O-] 110321474 PQKBGTPEVVIUEV-JXFKEZNVSA-N 435.480 4.440 5 20 IIBD CN1CCN(c2ccc(NC(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)cc2)CC1 248104538 FOFIYHQDTVSSSJ-UHFFFAOYSA-N 445.523 4.211 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(c2nc(-c3ccccc3)nc3ccccc23)CC1 301065437 BXNFITSNRXJVMH-UHFFFAOYSA-N 445.504 4.229 5 20 IIBD CN(C)C(=O)Nc1cccc(CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c1 303861542 HFXWJVPAXYVUHQ-UHFFFAOYSA-N 433.468 4.362 5 20 IIBD CC[C@H](O)CN(Cc1ccccc1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 426277603 SUDDQPFAPKSQCZ-SFHVURJKSA-N 425.407 4.096 5 20 IIBD COC(=O)c1cccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c1Br 427186576 NERLWLGFVXPRQM-SECBINFHSA-N 425.210 4.025 5 20 IIBD CCOC(=O)[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(OC)c(F)c1 428381608 HBPWPUHNTRIYHA-IBGZPJMESA-N 445.472 4.260 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)ccc1OC1CCCC1 428878723 FFGIWNXKRWFELS-ZDUSSCGKSA-N 431.876 4.327 5 20 IIBD O=C(CCc1cncs1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 432383818 BITRPLOQJCRZTI-UHFFFAOYSA-N 442.566 4.057 5 20 IIBD COc1cc(CNc2cccc(C(=O)NC3CC3)c2)c([N+](=O)[O-])cc1OCC(F)(F)F 432646073 AUMJJIXLVGPJOO-UHFFFAOYSA-N 439.390 4.049 5 20 IIBD Cc1ccc(C2(CNC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)CCC2)cc1C 433666820 JWSSTYKXRGTSNB-UHFFFAOYSA-N 437.496 4.138 5 20 IIBD CCn1nccc1C1CCN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 434009588 AFXXPNSQUNBXPT-QGZVFWFLSA-N 448.527 4.399 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N(CCCO)Cc1cccc(Cl)c1 434201202 PIFLTLORZKTSBU-UHFFFAOYSA-N 429.807 4.266 5 20 IIBD O=C(CCCNC(=O)c1cccnc1)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435449904 XBHUSSUHEMDBGP-UHFFFAOYSA-N 442.522 4.351 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCC(c2nccs2)CC1 436346925 UDUCGDQCAOYTPJ-UHFFFAOYSA-N 425.460 4.436 5 20 IIBD COc1ccc(NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2O)cc1[N+](=O)[O-] 436747627 MEIGAQSOYNBTBS-UHFFFAOYSA-N 443.362 4.092 5 20 IIBD O=C(NCc1ccc(Sc2ccccc2)cc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 437475038 SEJCGTITWMIDAD-UHFFFAOYSA-N 431.477 4.257 5 20 IIBD Cc1ccc(Br)cc1NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 438666085 SRGKLFBDBVPZIG-UHFFFAOYSA-N 434.290 4.041 5 20 IIBD COc1ccc(CC[C@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2C)cc1OC 438908973 BNDKJMOLRSEQDS-HXUWFJFHSA-N 426.513 4.477 5 20 IIBD O=C(Nc1nc2ccccc2nc1N1CCCC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 439262967 XWMYGSRAFYFBKV-UHFFFAOYSA-N 440.463 4.453 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(CCCc2ccccc2)cc1 439546774 FNKJXJNFCGUYBG-UHFFFAOYSA-N 433.464 4.356 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2CC(C)(C)O[C@@H]3CCC[C@H]32)c([N+](=O)[O-])c1 440547153 OTQHNMVGYRQDAL-TZIWHRDSSA-N 438.480 4.149 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 442946386 YMQVMTUXWPHEHM-CFSSXQINSA-N 434.876 4.337 5 20 IIBD Cc1ccccc1[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@@H](C)CO1 444185030 QJFAVUULNDKBHU-LIRRHRJNSA-N 448.317 4.066 5 20 IIBD COc1ccc(NC(=O)CN[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)c([N+](=O)[O-])c1 444811081 HDSFJCRJSJUOMJ-INIZCTEOSA-N 435.761 4.228 5 20 IIBD CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 446494423 LCDYOPANPXFKAD-INIZCTEOSA-N 428.489 4.081 5 20 IIBD Cc1nc(-c2ccc(C)c(NC(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)c2)n[nH]1 447067800 MCCRBHSYRPVNDE-UHFFFAOYSA-N 436.472 4.072 5 20 IIBD O=C(CN1CCCCCC1)Nc1ccc(N[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 447587430 RCYFBJXBUFOXTC-LEWJYISDSA-N 440.548 4.202 5 20 IIBD NC(=O)c1ccc(SCC(=O)Nc2ncc(-c3ccc(Cl)cc3)s2)c([N+](=O)[O-])c1 461107504 JQRGMNYPEOWSGL-UHFFFAOYSA-N 448.913 4.201 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CC[C@@](CO)(c4ccccc4)C3)c([N+](=O)[O-])c2)cc1 461931949 RJKVXSZTMWBFQC-RUZDIDTESA-N 431.492 4.296 5 20 IIBD COc1ccc([N+](=O)[O-])c(NC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c1 462805854 VRNSVDXIAUXGNB-IBGZPJMESA-N 425.407 4.108 5 20 IIBD C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])cc1Cl 463262125 ADMPWYGWXUOHCY-HNNXBMFYSA-N 444.919 4.338 5 20 IIBD CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2Cl)C1=O 463834343 AHARMKSWIFFCMC-OAHLLOKOSA-N 441.793 4.145 5 20 IIBD Cc1cccc(CN(Cc2ccccn2)S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1 464427306 PQONZPUGEBFDRS-UHFFFAOYSA-N 448.504 4.238 5 20 IIBD CCC(=O)N1CC[C@@H](NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 466546954 WULUUODQWVWACF-CQSZACIVSA-N 433.917 4.140 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 470365153 OFQHHTXGKZMSMP-ZDUSSCGKSA-N 428.436 4.202 5 20 IIBD COc1ccc(NC(=O)CN2CCC[C@H]2c2nc3ccccc3n2C(C)C)c([N+](=O)[O-])c1 471020195 VOKODMLJQXVMCG-FQEVSTJZSA-N 437.500 4.310 5 20 IIBD Cc1cc(NC(=O)NCCCOC2CCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] 473778399 KPOZAFVPGATYBN-UHFFFAOYSA-N 426.517 4.096 5 20 IIBD CCO[C@H](C)c1nc(CN2CCN(C(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)CC2)cs1 475555695 NADSRJKHDJTHLV-MRXNPFEDSA-N 447.561 4.115 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(Cl)c2Br)c2ncccc12 479115161 LOYHJBOTDPGNLB-UHFFFAOYSA-N 442.678 4.360 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)c1 479165981 UILQWKXOKORWMH-UHFFFAOYSA-N 442.881 4.323 5 20 IIBD C[C@@H](O)[C@](C)(CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)Cc1ccccc1 482177450 JKBRFYVMGLIFMA-DXPJPUQTSA-N 432.495 4.180 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCCc2ccc(Br)s2)cc1SC 482462572 DCKPYLUTEAANLX-UHFFFAOYSA-N 431.333 4.122 5 20 IIBD COc1cc(C(=O)NC[C@@H]2CCC[C@@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OCc1cscn1 482682848 KUYFHFUTVAYBPM-ILXRZTDVSA-N 433.530 4.441 5 20 IIBD COc1cc(C(=O)NC[C@H](C)Cn2cccn2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 482930199 KTLUQVXTOAXMFC-AWEZNQCLSA-N 444.875 4.312 5 20 IIBD O=C(NCc1ccco1)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1 484757037 BIRUVWJBIMIOGU-UHFFFAOYSA-N 446.366 4.363 5 20 IIBD Cc1cccc(N(CC(=O)N2CCCCC2)C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 485941543 AGHXVZCIUPDXKK-SFHVURJKSA-N 441.553 4.430 5 20 IIBD COC(=O)c1cc(NC(=O)c2c(F)ccc(C)c2Br)c(C)c([N+](=O)[O-])c1 486108592 LXBAOJVZVCORCP-UHFFFAOYSA-N 425.210 4.152 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(N3CCN(Cc4csc(-c5ccccc5)n4)CC3)n2)cc1 486423363 GRLAQQZHECZOCU-UHFFFAOYSA-N 448.508 4.091 5 20 IIBD CN(C(=O)c1cnn(C)c1Cc1ccccc1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 486473058 UUFQSWFZKAEDAW-UHFFFAOYSA-N 433.493 4.319 5 20 IIBD C[C@@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 486482746 ZLZOBFZUAFZFAE-SECBINFHSA-N 425.392 4.208 5 20 IIBD CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 486684413 AUEXIRNVZRZJEZ-UHFFFAOYSA-N 433.512 4.290 5 20 IIBD CCN(Cc1ccccc1)c1ccc(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 487072574 OMNMHTVVRRMQNC-UHFFFAOYSA-N 433.512 4.295 5 20 IIBD Cc1cc(=O)c(C(=O)Nc2ccc(-c3ccco3)cc2F)nn1-c1ccccc1[N+](=O)[O-] 487547230 FSUWVTYTEOUZFT-UHFFFAOYSA-N 434.383 4.101 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(Oc2cccnc2)cc1 487901512 VRQAGBHNBDBJNV-HZPDHXFCSA-N 436.468 4.469 5 20 IIBD CC(C)n1cnnc1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC1 488950391 WLCGJVFIOMIDMV-UHFFFAOYSA-N 448.527 4.399 5 20 IIBD O=C(NCCn1cc([N+](=O)[O-])cn1)c1oc2ccccc2c1CSCc1ccccc1 491036919 OVNYCLQKAGPHCB-UHFFFAOYSA-N 436.493 4.401 5 20 IIBD CC(C)(NC(=O)N[C@H](c1cncc(Br)c1)C1CC1)c1ccccc1[N+](=O)[O-] 491073635 DFNPQXKMDJSHKJ-KRWDZBQOSA-N 433.306 4.438 5 20 IIBD C[C@@H]1CN(Cc2ccccc2NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C[C@@H](C)O1 494223502 MZKYSCSBPNFWMI-QZTJIDSGSA-N 438.528 4.401 5 20 IIBD C[C@H](N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 494498713 WJIWWTQWASFJRT-UFMUVLMGSA-N 442.274 4.488 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(N2CCc3ccccc3C2)nc1 501384782 FIKPJNGRXNBEGI-KRWDZBQOSA-N 448.548 4.350 5 20 IIBD CC1CCN(Cc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3SCCO)cc2)CC1 502053342 GVKHGCGRRRTPDB-UHFFFAOYSA-N 429.542 4.163 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2cnn(Cc3ccncc3)c2)cc1[N+](=O)[O-])c1ccccn1 503771437 IGHZYYAHICVGAW-INIZCTEOSA-N 443.467 4.055 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H](Oc2ccccc2Cl)C1 504627268 FAZPQRDKVWDBMJ-KRWDZBQOSA-N 426.860 4.118 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 505372621 LUAAFRXNZYUWRA-UHFFFAOYSA-N 440.544 4.188 5 20 IIBD COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 505536775 SNQJUGVOSWWLRX-UHFFFAOYSA-N 432.436 4.473 5 20 IIBD COc1cc(OCC(=O)Nc2ccc(Sc3nnc(C)s3)cc2C)ccc1[N+](=O)[O-] 505876221 CLMRZEVVOQTUMZ-UHFFFAOYSA-N 446.510 4.240 5 20 IIBD C[C@H]1CN(Cc2ccccc2CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 506007337 IZLKUSXKQQGICE-GJZGRUSLSA-N 432.908 4.179 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(O)c(Br)c1 507314122 NZFHGEKQXWOUHQ-UHFFFAOYSA-N 425.304 4.495 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCCN2CCC[C@@H](C)C2)cc1[N+](=O)[O-] 511152949 LCWQQJUOIJHJPW-MRXNPFEDSA-N 441.553 4.009 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCc3ccsc3Br)cc2)c(C)c1[N+](=O)[O-] 511992857 DISKTSJDSRFJKT-UHFFFAOYSA-N 449.330 4.210 5 20 IIBD COc1ccc(OC)c(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c1 519665063 CJZGBHQOYVTMQH-UHFFFAOYSA-N 437.239 4.357 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)N1C[C@@H](C)C[C@H](C)C1 520038188 NURJTWMFTSCTOR-HOTGVXAUSA-N 445.541 4.076 5 20 IIBD COc1cc2c(cc1OC)CN(Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1)CC2 520065261 OCORJUHWMQVJGY-UHFFFAOYSA-N 447.491 4.423 5 20 IIBD COc1cc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc(-n2cccn2)c1 520852667 YYGGDUCIDVXTLJ-UHFFFAOYSA-N 431.246 4.112 5 20 IIBD COc1cc(C(=O)Nc2ccc(Cl)cc2NC(C)=O)c([N+](=O)[O-])cc1OC(F)F 521569463 CZXLBKGCXQZHFF-UHFFFAOYSA-N 429.763 4.069 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(OC(C)C)cc2F)ccc1[N+](=O)[O-] 522589832 PRFCOMQPVXOIGB-HXUWFJFHSA-N 429.448 4.073 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCCCNC(=O)c3occc3C)c([N+](=O)[O-])c2)cc1 524249102 OPLKZPHLNFYLJQ-UHFFFAOYSA-N 436.468 4.289 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1 524422318 JLEJNJCILTXYIB-SFHVURJKSA-N 443.525 4.055 5 20 IIBD CSc1nsc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 524817234 OEWBWPUEBLWFKP-UHFFFAOYSA-N 447.464 4.042 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCSc1cc(Br)ccc1OC 525518926 BUAZXIDLUGJAOV-UHFFFAOYSA-N 441.303 4.495 5 20 IIBD CC(=O)N[C@H](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(F)cc1F 525519450 TVEZLLRIVPKQFF-QGZVFWFLSA-N 446.435 4.203 5 20 IIBD CC[C@H]1c2ccsc2CCN1C(=O)COc1ccc(Br)cc1[N+](=O)[O-] 525626106 DOUOGQZHTZQJGD-ZDUSSCGKSA-N 425.304 4.334 5 20 IIBD COc1ccc(C[C@H](C)CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC 534221402 XBTWKTGDRDUWQK-LBPRGKRZSA-N 426.391 4.239 5 20 IIBD Cc1cc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)n([C@H]2CCN(Cc3ccccc3)C2)n1 535694769 IMMOKUXIMOXPLM-SFHVURJKSA-N 444.495 4.280 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)NC2CCCCC2)CC1 537091119 OOCIBMZPEPKAPX-UHFFFAOYSA-N 433.574 4.396 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] 537143510 FWQAMEZRENKZQD-OXQOHEQNSA-N 436.917 4.136 5 20 IIBD CN(C(=O)CCN1C(=O)CCc2ccccc21)c1nc(-c2ccccc2[N+](=O)[O-])cs1 537148514 FVNWDMABLBOXBH-UHFFFAOYSA-N 436.493 4.051 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CC=C(c2ccc(Cl)cc2)CC1 539556935 BOACVZNCSGUMSZ-UHFFFAOYSA-N 427.888 4.014 5 20 IIBD O=C(N[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 539697558 RACLYMXFRTUKIL-HOCLYGCPSA-N 436.386 4.451 5 20 IIBD COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1 540094658 VONOCPHWDDJSKI-KZULUSFZSA-N 437.290 4.180 5 20 IIBD CC(=O)N1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C(C)(C)C1 540442927 ALUFREOVHAATMN-UHFFFAOYSA-N 431.876 4.123 5 20 IIBD Cc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])ccc1-n1nnnc1C(C)C 541341492 QMDSGLJPMOKJJI-CYBMUJFWSA-N 444.879 4.062 5 20 IIBD O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)Nc1ccc([N+](=O)[O-])cc1F 542761522 AOWHKHNTTOVAQE-UHFFFAOYSA-N 432.415 4.303 5 20 IIBD C[C@@H](CN(C)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1nccs1 543240468 RBOLUNGOOKJOIK-STQMWFEESA-N 431.543 4.237 5 20 IIBD CC(C)n1cc([C@H](C)N[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cn1 543503919 SALLENJKUMREAW-UONOGXRCSA-N 428.518 4.174 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1cccc(NC(=O)N2CCCC2)c1 544195671 HKWSSDZVOGBXBC-UHFFFAOYSA-N 448.932 4.284 5 20 IIBD CCO[C@@H]1C[C@H](Nc2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])[C@]12CCCO2 546055577 YWVKPKSQFOZKKB-QZNHQXDQSA-N 425.485 4.294 5 20 IIBD COc1ccc(COc2ccc(-c3noc(-c4n[nH]c(C(C)C)c4[N+](=O)[O-])n3)cn2)cc1 546360910 GNVLTBIHPHPUEA-UHFFFAOYSA-N 436.428 4.141 5 20 IIBD COC(=O)[C@H](C)Cc1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 546785475 BSTYLBPGIMMIRD-GFCCVEGCSA-N 440.374 4.140 5 20 IIBD COc1cc(OC)cc(C2(F)CCN(C(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)CC2)c1 549313467 MBCZXSZCOQELCN-AWEZNQCLSA-N 434.439 4.342 5 20 IIBD Cn1ccnc1[C@@H](Nc1ccc(NC(=O)c2ccccc2)cn1)c1ccc([N+](=O)[O-])cc1 552055494 QKDMOAZNRRHOQF-NRFANRHFSA-N 428.452 4.177 5 20 IIBD CC(C)[C@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Cl)cc1 553225299 MYOXVTJGXWFFMP-DLBZAZTESA-N 449.960 4.470 5 20 IIBD O=C(N[C@H](c1cncc(Br)c1)C1CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 557169355 GIHPTGHMRTXPRJ-SFHVURJKSA-N 431.290 4.208 5 20 IIBD COc1cc(C(=O)NC2(C(F)F)CCCCC2)c([N+](=O)[O-])cc1OCc1cscn1 558213797 HFRUEWPRRFTXIF-UHFFFAOYSA-N 441.456 4.337 5 20 IIBD Cc1ccccc1NC(=O)Cc1noc(-c2cc([N+](=O)[O-])cc(Br)c2C)n1 559969359 WWBLKLFUPJEECJ-UHFFFAOYSA-N 431.246 4.205 5 20 IIBD CCOc1ccc([C@@H](C)NC(=O)CCCNc2ncnc3sc([N+](=O)[O-])cc23)cc1 561221548 GCULRPGJVQHASA-CYBMUJFWSA-N 429.502 4.068 5 20 IIBD CCOc1cc(C(=O)Nc2nccn2Cc2ccccc2Cl)c([N+](=O)[O-])cc1OC 564013990 YWFVTLIZDHBNLX-UHFFFAOYSA-N 430.848 4.153 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@H](Oc2ccc(Cl)cc2)C1 568313131 ZAZKULGAZYNSJU-IBGZPJMESA-N 432.907 4.488 5 20 IIBD CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 570603463 IKUXWBYSDTYDDI-QGZVFWFLSA-N 441.513 4.106 5 20 IIBD CCn1c(CSc2ccc(C)cc2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 573452080 DHDGOKSXYVLAHM-UHFFFAOYSA-N 438.557 4.134 5 20 IIBD Cc1cccc(CCCNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])n1 576489271 PITLGYWBHQGBEZ-UHFFFAOYSA-N 426.498 4.144 5 20 IIBD COc1cc(Cc2noc(-c3nn(-c4c(F)cccc4F)cc3C)n2)ccc1[N+](=O)[O-] 576741365 SDCFSVRCFIWTQV-UHFFFAOYSA-N 427.367 4.017 5 20 IIBD CC(C)(c1nc([C@@H]2CN(Cc3ccccc3)CCO2)no1)c1ccc([N+](=O)[O-])cc1F 580481656 IMCMJNHJVOSSDL-IBGZPJMESA-N 426.448 4.016 5 20 IIBD NC(=O)c1ccnc(N(CC2(c3ccc(Cl)c(Cl)c3)CCC2)C2CC2)c1[N+](=O)[O-] 583116915 ZQTCPLQGPPHIFQ-UHFFFAOYSA-N 435.311 4.486 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1 583903088 FALBESLKWWFVLH-QUCCMNQESA-N 427.570 4.494 5 20 IIBD COc1cc(CN(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c([N+](=O)[O-])cc1OC(F)F 588208954 INSUMJMMBILYHC-DZGCQCFKSA-N 440.468 4.206 5 20 IIBD Cc1c(CNC(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C(C)C)cccc1[N+](=O)[O-] 588777545 HOGMRTJFIKPEAQ-UHFFFAOYSA-N 438.311 4.263 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cn(-c2ccc(Cl)cc2)nn1 603577434 ISXUDEIACBIVMX-UHFFFAOYSA-N 426.845 4.205 5 20 IIBD COc1cc(C)c(CN(C)C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1OC 603683038 FANABPQSQDBCPU-UHFFFAOYSA-N 442.390 4.134 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 603727542 WIWGDTZIKHFAFE-GOSISDBHSA-N 449.492 4.216 5 20 IIBD O=[N+]([O-])c1ccc2nc(N3CCN(Cc4ccc(Br)s4)CC3)ccc2c1 603840095 FDCQGFPFIPBWRM-UHFFFAOYSA-N 433.331 4.289 5 20 IIBD CC(C)(C)c1ccc(C(=O)NCc2cccc(NC(=O)c3ccncc3)c2)cc1[N+](=O)[O-] 604022100 HRKPAVAODIWYQM-UHFFFAOYSA-N 432.480 4.470 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCc2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-])c1ccccn1 608952535 AIKDODOEFZFARQ-MRXNPFEDSA-N 448.479 4.254 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1 609069869 XJFXZOSDQWXFNY-UHFFFAOYSA-N 443.456 4.024 5 20 IIBD C[C@H](Nc1cc(F)ccc1OC[C@@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 609354129 NMMVRXTVMWPXCN-WFASDCNBSA-N 437.855 4.384 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)c(Cl)c1 609720502 SVUXIUXOLDHNAL-UHFFFAOYSA-N 428.857 4.364 5 20 IIBD O=C(Nc1cccc(-c2nnco2)c1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 609854691 WCEYBAHSRBPJRX-UHFFFAOYSA-N 445.222 4.390 5 20 IIBD CCCN1CCC(N(C)C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CC1 609874107 PAGDXKDZMJUDNF-UHFFFAOYSA-N 440.331 4.034 5 20 IIBD CCOC(=O)c1ccnc(NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] 609961451 RMJXDZUUGYPZQP-IUCAKERBSA-N 429.317 4.488 5 20 IIBD O=C(c1coc(-c2ccccc2)n1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 609966150 LNNXKYTZKWXCEC-UHFFFAOYSA-N 446.385 4.231 5 20 IIBD CN(C[C@H](O)C1CC1)C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 610670062 CLXCRXHRJDDBDK-PGNDWZGLSA-N 437.521 4.365 5 20 IIBD Cc1ccccc1CN1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 610903713 NWLUZJNNRLCXDY-UHFFFAOYSA-N 432.318 4.014 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@H](CC2CC2)c2ccccc2)cc(Br)cc1[N+](=O)[O-] 619532682 AJRSRJIDADHEMG-QGZVFWFLSA-N 446.301 4.262 5 20 IIBD CC(C)(C)OC(=O)N1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])c2ccccc2C1 728003848 NZDFGVZZGMMPAM-UHFFFAOYSA-N 441.484 4.148 5 20 IIBD O=C1CN(CN2CCC[C@H]2c2ccccc2C(F)(F)F)C(=O)N1c1cccc([N+](=O)[O-])c1 728049093 DGKSEWZYHCUHNA-SFHVURJKSA-N 448.401 4.177 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc(Cl)cc1NC(=O)c1ccoc1C 728188458 IJZWBBJMDDAAJN-UHFFFAOYSA-N 443.843 4.341 5 20 IIBD C[C@H](c1ccc(F)cc1F)N1CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 728908199 DPIOQNNZCWHWDL-MRXNPFEDSA-N 427.455 4.073 5 20 IIBD Cc1cc(C(=O)N(C)CCCCCc2cc(-c3cccc(F)c3)n[nH]2)c(N)c([N+](=O)[O-])c1 729524534 CFDRUZDSKNTYID-UHFFFAOYSA-N 439.491 4.500 5 20 IIBD COCCN(Cc1ccc(F)cc1Cl)C(=O)c1cc([N+](=O)[O-])ccc1Br 730496246 DXQXHISRUNVTOZ-UHFFFAOYSA-N 445.672 4.439 5 20 IIBD CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)OCc1cc([N+](=O)[O-])ccc1OC)O[C@H](C)C2 730651072 LGWHHHQKEKJIJV-XVGQJIODSA-N 427.453 4.172 5 20 IIBD COc1cc(CN2CCC([C@@H](O)c3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1OC(F)F 731036333 BWWOKVKSRPGQAN-FQEVSTJZSA-N 440.418 4.290 5 20 IIBD CCN(C(=O)[C@@H](C)OC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)c1cccc2ccccc12 731725553 KDRYFBMTJIJNEU-MRXNPFEDSA-N 436.464 4.284 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)[C@@H](C)Sc2cc(Cl)ccc2Cl)ccc1[N+](=O)[O-] 734738076 QPZYDYKQGGGSDS-SNVBAGLBSA-N 449.337 4.196 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccccc2SCc2cc(C)no2)cc([N+](=O)[O-])c1 735828319 OJXNLMLDJHBYBS-UHFFFAOYSA-N 427.438 4.222 5 20 IIBD Cc1sc(NC(=O)[C@H]2CC(c3c(F)cccc3F)=NO2)nc1-c1cccc([N+](=O)[O-])c1 736005840 MQQAVRFBMGCYEO-MRXNPFEDSA-N 444.419 4.437 5 20 IIBD CC(C)(C)OC(=O)NC1CCC(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 739806985 ZFFFIEQIVCSJSC-UHFFFAOYSA-N 449.551 4.107 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 742495345 CLYUUKZIDNFUBM-SFHVURJKSA-N 442.516 4.328 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C)N1C(=O)OC(C)(C)C 742672725 QRGLODGFWWRFDI-VXGBXAGGSA-N 431.411 4.084 5 20 IIBD O=C(c1cc(F)ccc1[N+](=O)[O-])N(C[C@@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F 743800990 REUYGQNGXPWNPC-MRXNPFEDSA-N 439.409 4.261 5 20 IIBD COc1ccc(OCCN2CCC([C@H]3CCCN3C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1 743842086 BPCRCASAWUWRQE-LJQANCHMSA-N 449.548 4.094 5 20 IIBD CC(C)(C(=O)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 751411317 KVAMLPBZVOKLGV-GOSISDBHSA-N 430.810 4.092 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)Nc1ccc(F)cc1Cl 751690626 OLARXTKSGLFTHI-UHFFFAOYSA-N 449.591 4.084 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCc2ccn(-c3c(F)cccc3F)n2)cc1SC 751707563 HAOYOCSJFQSSSQ-UHFFFAOYSA-N 435.408 4.146 5 20 IIBD COC(=O)c1cc(NC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)c(C)c([N+](=O)[O-])c1 754613498 AWOFFHCWMVVRKA-UHFFFAOYSA-N 442.859 4.149 5 20 IIBD COc1cc(CN(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)ccc1SC 754995279 XSORWUKHEAIBNA-UHFFFAOYSA-N 443.294 4.499 5 20 IIBD CCc1c(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cnn1CCC(C)C 755594339 JQKFZZJHSRDYJY-CYBMUJFWSA-N 436.896 4.237 5 20 IIBD Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c(C)c1 756529986 WHWJDSXTLFCVMJ-CQSZACIVSA-N 449.301 4.395 5 20 IIBD Cc1ccc2c(COC(=O)Cc3ccc([N+](=O)[O-])cc3Br)cc(=O)oc2c1C 756530798 WEGXFBDOWGWDGT-UHFFFAOYSA-N 446.253 4.366 5 20 IIBD C[C@@H](CSc1ccc(F)cc1)C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 756712718 DXBYHPWIQIGGNI-NSHDSACASA-N 426.853 4.297 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1-c1cccs1 759102727 BWNMYVWCYQHBAF-UHFFFAOYSA-N 438.414 4.447 5 20 IIBD O=C(OCCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cnc([C@H]2CCCO2)s1 760974304 QROHWTZWXZYIBT-CYBMUJFWSA-N 432.376 4.157 5 20 IIBD O=C1OCCN1c1ccc(-c2noc(-c3cc(Br)cc([N+](=O)[O-])c3)n2)cc1 761735425 KRNBPANFFOZSQG-UHFFFAOYSA-N 431.202 4.031 5 20 IIBD C[C@H]1CCCN1C(=O)c1ccc(-c2noc([C@@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)n2)cc1 762310610 XTCDPICFKDHNGB-XOBRGWDASA-N 447.451 4.135 5 20 IIBD Cc1nn(-c2ccccc2)c(Cl)c1CSc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C 762483544 KJHWOJPTTGKXEW-UHFFFAOYSA-N 441.900 4.282 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 765101846 KGHOUEMENJHILA-UHFFFAOYSA-N 447.413 4.079 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](C)C(=O)Nc1ncc(Cl)cc1Cl 765528169 UEEZSPZKLVFDTE-AAEUAGOBSA-N 440.283 4.436 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(Cl)cc2Br)c2ncccc12 766458143 DSHVUZFJPLIWCY-UHFFFAOYSA-N 443.662 4.327 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@@H](c2nc(-c3cnn(-c4cccc(Cl)c4)c3)no2)C1 771279909 MZDWDUPHRCCXMP-GOSISDBHSA-N 436.815 4.350 5 20 IIBD O=C(Nc1ncc(Cc2ccc(F)c(F)c2)s1)c1cc([N+](=O)[O-])c2nsnc2c1 777793669 IWXCQWPGXUXGKX-UHFFFAOYSA-N 433.421 4.177 5 20 IIBD Cc1cc(C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)nn1-c1ccc(Cl)cc1 778147322 UEOQPWQRXBXSMN-UHFFFAOYSA-N 439.815 4.149 5 20 IIBD Cc1nc(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])c(-c2ccccc2)s1 778856100 ULCIMIMOWMRNNY-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD COC(=O)c1ccc([C@@H](OC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C(F)(F)F)cc1 779361154 JKBONDVYXCWOKA-CQSZACIVSA-N 449.284 4.443 5 20 IIBD COc1cc(COC(=O)Cc2c[nH]c3cc(C)ccc23)c([N+](=O)[O-])cc1OCC(F)F 780064026 SIKMDNPVZUJUAT-UHFFFAOYSA-N 434.395 4.323 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cccc(Br)c1Cl 780131373 NUEURCUNHUKWHB-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD COc1ccc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OCC(F)(F)F 781609556 DWUWVKUXHUEFDN-UHFFFAOYSA-N 443.334 4.024 5 20 IIBD CC(C)c1ccc(-c2noc(COC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)cc1 781735105 LDFJSDUSMNRECX-UHFFFAOYSA-N 440.412 4.352 5 20 IIBD CC(C)c1ccccc1NC(=O)[C@@H](C)OC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781736271 HLRRNAULAVBNJM-CQSZACIVSA-N 429.429 4.129 5 20 IIBD COCc1nc(COC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cs1 783110035 KWKIHAAIMZSNRY-CYBMUJFWSA-N 428.470 4.123 5 20 IIBD Cc1ccn(C)c1C(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 784296447 ORBZZZHZRMELHY-IBGZPJMESA-N 427.844 4.432 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 784448352 RULQOASQYROSSZ-CYBMUJFWSA-N 432.395 4.239 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N(Cc1c(F)cccc1F)C1CCCC1 784502045 PZTBWYVXSHCZIW-UHFFFAOYSA-N 437.830 4.436 5 20 IIBD CC(C)(C)OC(=O)NC(C)(C)c1noc(CCOc2ccc(Cl)cc2[N+](=O)[O-])n1 789784059 VMNKDDYCQRTNSZ-UHFFFAOYSA-N 426.857 4.013 5 20 IIBD COc1ccc(-n2c(SCc3ccc([N+](=O)[O-])c(F)c3)nnc2-c2cnccn2)cc1 789948541 BZAOFRJZQKTVAJ-UHFFFAOYSA-N 438.444 4.073 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(OC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c(Cl)c1 790139795 PSEJFKVSLNRHEW-HNNXBMFYSA-N 438.864 4.414 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCC[C@@H](O)c1ccc(Cl)c(Cl)c1 790964202 MJMAJHCSZSGELB-MRXNPFEDSA-N 435.666 4.477 5 20 IIBD CN(C)c1cc(F)c(C(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] 791218645 OZMQRJZZQJCRJK-HXUWFJFHSA-N 435.883 4.039 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1cc(Cl)ccc1F 792474429 UTFROVMDEHFZHO-UHFFFAOYSA-N 445.628 4.254 5 20 IIBD CCOC(=O)Nc1ccc2c(CNC(C)(C)c3ccccc3[N+](=O)[O-])cc(=O)oc2c1 795220076 PNCRFDLAVGHNSZ-UHFFFAOYSA-N 425.441 4.295 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1 797649927 ZLEITHVXDWQYAR-LJQANCHMSA-N 440.500 4.382 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 798050384 OZRIZUJLLBKLOU-YEORSEQZSA-N 441.793 4.268 5 20 IIBD COc1ccc(-c2nnc(Sc3nc4ccccn4c3[N+](=O)[O-])n2Cc2ccco2)cc1 799835688 WGBRXSJJUJFGPS-UHFFFAOYSA-N 448.464 4.302 5 20 IIBD Cc1nn(C)c(Br)c1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 800851942 YSEFDTVVQIAHGG-UHFFFAOYSA-N 436.291 4.083 5 20 IIBD COc1ccc(C(=O)Nc2ccccc2C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1 801562747 DIMAERGSFWOUFY-UHFFFAOYSA-N 433.464 4.170 5 20 IIBD CC[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1I)c1ccc(F)cn1 803048950 LDIMMYMJIAHOQH-CQSZACIVSA-N 430.173 4.042 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)O[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)c1F 803458167 HDMPXYRHCUUPQB-OAHLLOKOSA-N 429.448 4.217 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCc2ccc(Br)cc2C1 803544919 MJIMVPOAJKJHNJ-UHFFFAOYSA-N 430.302 4.156 5 20 IIBD Cc1n[nH]cc1C1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)CC1 803636762 CYYOWKHJJOKGFO-UHFFFAOYSA-N 427.686 4.062 5 20 IIBD CN(C)c1ccc(N2CCC(NC(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC2)cc1 813026051 JJVNNXBFPAAXNM-UHFFFAOYSA-N 437.327 4.366 5 20 IIBD CO[C@](C)(COC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C1CC1 813184998 SNWKJSBDGCSXMW-LJQANCHMSA-N 430.423 4.188 5 20 IIBD C[C@@H](N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(N2CCCOC2=O)cc1 814657292 OBXILNJLHOTKDS-HUUCEWRRSA-N 437.456 4.403 5 20 IIBD COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)c1 815237977 SONXUPLPTFOUDI-HOCLYGCPSA-N 425.359 4.478 5 20 IIBD Cc1cc(Cl)c(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1[N+](=O)[O-] 815405277 QBOPJIXANWVMKK-JTQLQIEISA-N 432.776 4.433 5 20 IIBD O=C(OCC[C@H](c1ccccc1)C(F)(F)F)c1cccc([N+](=O)[O-])c1N1CCOCC1 816475598 HMQCECALSXKFHJ-QGZVFWFLSA-N 438.402 4.324 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1Cl 823366654 MWQCIKWMYJJSOO-CQSZACIVSA-N 442.859 4.235 5 20 IIBD COc1cccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1OC(F)F 849195304 FRNSEUAQOQYARG-SECBINFHSA-N 444.774 4.042 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1nc2ccc(Br)cc2s1 917721331 XBJCUQVATHFTES-UHFFFAOYSA-N 428.289 4.076 5 20 IIBD COc1cc(CCNC(=O)N(CC[C@@H]2C[C@H]3CC[C@H]2C3)C2CC2)c([N+](=O)[O-])cc1OC 918059976 NHFJLJHFMDTPSU-YESZJQIVSA-N 431.533 4.155 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 918296556 DVKCALJUKQQRNZ-CQSZACIVSA-N 430.873 4.160 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2cc(-c3ccoc3)[nH]n2)c2ccccc2)c([N+](=O)[O-])c1 919328385 FMCXWFVNVSCQAD-OAQYLSRUSA-N 446.419 4.423 5 20 IIBD C[C@H](OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1c1cccs1 924160071 BNNKHVVCKOFVQB-GRDNDAEWSA-N 434.539 4.432 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])NCCSc1ncc(C(F)(F)F)cc1Cl 1120820003 AFOHISUYORLDBK-UHFFFAOYSA-N 449.838 4.339 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCC(Nc3ccccc3)CC2)c(Cl)cc1Cl 1323813083 HODOBQANNYKMCV-UHFFFAOYSA-N 430.313 4.167 5 20 IIBD O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3nnc(-c4ccccc4)cc3C(F)(F)F)C2)nc1 1335410038 MSYZYDPZSMYRQS-CQSZACIVSA-N 430.390 4.156 5 20 IIBD Cc1cccnc1CCC(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1 1785747868 GBXOMUPSWNPNAI-UHFFFAOYSA-N 448.479 4.272 5 20 IIBD C[C@H]1CCC[C@@H]1C(=O)NC1(c2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc2)CCC1 1790755946 HHZHKNZCYUFURE-BTYIYWSLSA-N 437.496 4.484 5 20 IIBD Cc1cccc(Cl)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C2 1800488605 BWJFQFXUBZPSRZ-BCDXTJNWSA-N 441.915 4.051 5 20 IIBD CCC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3ccc([N+](=O)[O-])o3)[nH]n2)CCC1 1818946523 PBFDGLXHULTIDP-UGAXZCSASA-N 441.488 4.197 5 20 IIBD O=C(C1CCCC1)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1824274840 NVXVKYXPWONZAQ-CSNYQSHPSA-N 429.517 4.011 5 20 IIBD CC(C)(C)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1826333100 YMNBMNNABLKMCD-XSBJJCPUSA-N 431.533 4.257 5 20 IIBD C/C=C/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(C)c([N+](=O)[O-])c2)CC1 1831365053 LZJJPZABFRFWTM-XLVXHYTNSA-N 439.556 4.198 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC2(CCCN2C(=O)CCC2CCC2)C1 1841494768 IIMYEYDQAJJSHO-UHFFFAOYSA-N 427.526 4.207 5 20 IIBD O=C(c1ccsc1)N1CC2(CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 1845738676 MECHOPVGSPVTKV-UHFFFAOYSA-N 427.507 4.002 5 20 IIBD CC(C)Cn1c(S[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nnc1-c1ccco1 9566941 UZHOFWMIHOHYHF-GFCCVEGCSA-N 433.465 4.361 5 20 IIBD C[C@@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)NCc1ccc(Cl)cc1 10723284 ZRFPGRKYAVYIFS-MRXNPFEDSA-N 448.906 4.056 5 20 IIBD C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 15094736 CDBYNQVHAHWLSV-ZDUSSCGKSA-N 440.481 4.112 5 20 IIBD Cc1cc(CSc2ccccc2C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)on1 16542373 YOILFSKRFJEDNR-AWEZNQCLSA-N 441.465 4.368 5 20 IIBD COc1ccccc1-c1nnc(S[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1C 17708883 XCKWHWBEMFIDFC-LBPRGKRZSA-N 438.469 4.302 5 20 IIBD CC(=O)NCc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1 21771079 BWWQOODAOHKMIO-UHFFFAOYSA-N 430.873 4.260 5 20 IIBD Cc1ccc(OCc2nnc(SCc3nc(-c4cccc([N+](=O)[O-])c4)no3)o2)cc1 31854210 XTDYQPNVPCQFPT-UHFFFAOYSA-N 425.426 4.208 5 20 IIBD CCn1cnnc1CNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 58310181 ZVWXTALTTQOREZ-WJDWOHSUSA-N 448.508 4.063 5 20 IIBD O=C(NCc1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 59799745 LHAHWFBGZWJYNM-UHFFFAOYSA-N 448.454 4.491 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cccc(CN2CCSCC2)c1 61286087 AOBHEILBGAJNLT-UHFFFAOYSA-N 443.572 4.342 5 20 IIBD O=C(NCc1ccc(CN2CCC(O)CC2)cc1)c1cc2ccccc2c2cccnc12 111110473 YZLWTDIZQZFXBZ-UHFFFAOYSA-N 425.532 4.275 5 20 IIBD C[C@H](OC(=O)/C=C\c1ccccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 206966188 PMMBBHJIBLKCLA-WDDYJBPVSA-N 426.322 4.336 5 20 IIBD COc1ccc(-c2ccc(CNCc3ccc(-n4nc(C)cc4C)nc3)o2)c([N+](=O)[O-])c1 237421196 ARIAHTJGAGXTSZ-UHFFFAOYSA-N 433.468 4.351 5 20 IIBD Cc1cc(Sc2nnc(CSc3nc4ccccc4s3)n2C)ncc1[N+](=O)[O-] 301436276 MQLQUNRAOJEWJJ-UHFFFAOYSA-N 430.540 4.480 5 20 IIBD CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 301641216 GNQVEICIRHAKAT-UHFFFAOYSA-N 438.311 4.447 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NCC1(c2cccc(F)c2)CCCCC1 303349419 DUASNJJEGHMIQH-UHFFFAOYSA-N 447.894 4.135 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N1CC[C@@H](Oc2cccc(Cl)c2)C1 409512311 ISBHLWXTAUDKNB-LLVKDONJSA-N 431.695 4.366 5 20 IIBD C[C@@H](NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F)c1cccc([N+](=O)[O-])c1 409824095 UHWNXBVTUVRIQW-SNVBAGLBSA-N 439.781 4.339 5 20 IIBD NC(=O)[C@H]1Cc2ccccc2N(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 426452564 XAAFFKAVSKNIKY-KRWDZBQOSA-N 433.489 4.050 5 20 IIBD CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c(C)c1 429821904 AUUKEMMGSVTSGB-GFCCVEGCSA-N 434.290 4.446 5 20 IIBD Cc1ccccc1[C@H](NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C(C)(C)C 431605325 BNZFXWGSKPWYPA-NRFANRHFSA-N 438.528 4.158 5 20 IIBD COc1cc(CNC[C@@H]2CCCN(c3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)F 435019825 GHFOBDNGGUGGOG-INIZCTEOSA-N 435.471 4.254 5 20 IIBD O=C(CSc1nc(-c2ccccc2)co1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 436258851 JNYLEEUQWFJMEE-UHFFFAOYSA-N 427.438 4.142 5 20 IIBD O=C(c1cc(-c2ccccc2)cc(Cl)c1O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 436815619 OYZZHMSTSSROMX-UHFFFAOYSA-N 426.860 4.295 5 20 IIBD O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCCN1C(=O)c1ccc(O)c([N+](=O)[O-])c1 436959801 IAJQRDCWZSGUJU-HNNXBMFYSA-N 438.267 4.241 5 20 IIBD CC(C)Oc1ccc(NC(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c(Cl)c1 437054352 KGTNXDOJHLGZGN-UHFFFAOYSA-N 431.876 4.165 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N(C)[C@H](C)c2ccc(F)cc2)cc1[N+](=O)[O-] 439245191 IHHIJHJCPGSORY-LLVKDONJSA-N 431.283 4.187 5 20 IIBD COC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C[C@H](C)O1 439947548 WSYXPADATCZTQD-BBRMVZONSA-N 436.917 4.275 5 20 IIBD CCN(C(=O)Cc1noc(CSCc2ccc(OC)c([N+](=O)[O-])c2)n1)c1ccccc1 445670649 UMBPFJHILUMSNU-UHFFFAOYSA-N 442.497 4.015 5 20 IIBD CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCCN(c2ccccc2)C1 445805012 FKXFEOQGFCOCRO-GOSISDBHSA-N 432.318 4.027 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccnc2-c2csc(C)c2)cc1OC 446609977 JHZLZAQGWXUAEC-UHFFFAOYSA-N 443.481 4.313 5 20 IIBD CS(=O)(=O)c1ccc(CNc2ccc([N+](=O)[O-])c3cnccc23)cc1C(F)(F)F 447686201 DINPTPFWNASEIY-UHFFFAOYSA-N 425.388 4.177 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2cc(-c3ccccc3)on2)cc1[N+](=O)[O-])c1ccccn1 461632523 BFEOEMXKGQPIID-OAHLLOKOSA-N 429.436 5.070 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])c1nnc(Cc2ccsc2)n1C[C@@H]1CCCCO1 461828401 MMRYKGOGVIHUQV-IBGZPJMESA-N 441.557 4.087 5 20 IIBD COc1cc(C)c(Br)cc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 462566132 QXPTYZHQZNBXQF-UHFFFAOYSA-N 431.246 4.112 5 20 IIBD C[C@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)Oc1cccc(Cl)c1 463073129 HAGIFPWQUWOICQ-GFCCVEGCSA-N 435.267 4.327 5 20 IIBD C[C@H]1CCN(CCOc2ccc(NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)cc2)C1 465195321 NBQKXRXITZHKKI-IRXDYDNUSA-N 429.542 4.435 5 20 IIBD Cc1sc(S(=O)(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)cc1[N+](=O)[O-] 466966726 JGNQUPAFFHOYCN-UHFFFAOYSA-N 431.495 4.042 5 20 IIBD Cc1ccc(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)c(O[C@H](C)CC(C)C)c1 468579211 UKVUOWDKYZIIHG-MRXNPFEDSA-N 427.501 4.280 5 20 IIBD Cc1c([C@@H](NC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)C(C)C)oc2ccccc12 469400725 XPAFBDHOBZTFLC-QFIPXVFZSA-N 449.463 4.430 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC[C@H](C)c1cccc(C(F)(F)F)c1 470220868 UKECEEOGBCDWCH-BLLLJJGKSA-N 441.454 4.156 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 471037445 KFSDKQVHDPGGGA-NSHDSACASA-N 429.420 4.489 5 20 IIBD Cc1cc(C)n(-c2ccccc2CNC(=O)c2ccc([N+](=O)[O-])cc2Br)n1 472198794 CIQCEIAVYTWILT-UHFFFAOYSA-N 429.274 4.090 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@@H]3CC34CCCC4)cc2)cc1[N+](=O)[O-] 474771167 ZVRKCOBLWQRDAZ-SFHVURJKSA-N 429.498 4.223 5 20 IIBD CCN(CC)C(=O)Nc1ccc([C@@H](C)NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cc1 475009834 MBCDYRRPCAVIDW-MRXNPFEDSA-N 448.545 4.125 5 20 IIBD COc1ccc(CNC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)c(OC2CCCC2)c1 477631185 FQRSVNZHYPGWOU-UHFFFAOYSA-N 437.452 4.109 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1 478887274 RCUFBVMQHOMXHM-IFXJQAMLSA-N 436.295 4.080 5 20 IIBD CC(C)(C)n1cc(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)nn1 480017268 JYTFWEFWGCPQTN-UHFFFAOYSA-N 447.854 4.456 5 20 IIBD Cc1nc2ccccc2n1C1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 480855690 RVCZPZXTFYHUGW-UHFFFAOYSA-N 433.512 4.330 5 20 IIBD CC(C)OCc1ccc(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 485015524 UJESWPRNBDHBPR-UHFFFAOYSA-N 429.292 4.083 5 20 IIBD COC(=O)c1cc(NC(=O)NC[C@H]2CCCO[C@@H]2c2ccc(C)cc2)c(C)c([N+](=O)[O-])c1 486860078 RVGQLSUXYIBJHU-DYESRHJHSA-N 441.484 4.288 5 20 IIBD CCC(C)(C)OCc1cccc(NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])c1C 488797853 JSSORKQZZYBWAS-UHFFFAOYSA-N 445.541 4.438 5 20 IIBD CCC(C)(C)OCc1cccc(NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)c1C 488854898 NHLFXRGSOJMLRL-MRXNPFEDSA-N 427.501 4.365 5 20 IIBD CC[C@@H](c1ccccc1)c1nnc(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])o1 488870561 SPPWWXAQTPIGMT-HNNXBMFYSA-N 428.470 4.259 5 20 IIBD CCc1nc(CN2CCC(CNC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])CC2)cs1 488980709 OQTKMLLOKGAYMX-UHFFFAOYSA-N 445.589 4.060 5 20 IIBD CCn1c(S[C@@H](C(=O)N2CCC[C@H](C)C2)C(C)C)nnc1-c1ccc([N+](=O)[O-])cc1 489410935 VGLSGTYDCNFTSS-MAUKXSAKSA-N 431.562 4.248 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](CO)Cc1c(F)cccc1Cl 490187693 NVCSTEZAMRYDSW-GFCCVEGCSA-N 426.897 4.080 5 20 IIBD O=C(CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)NCCn1cc([N+](=O)[O-])cn1 491040702 WDKOLFBVFDAYGS-FQEVSTJZSA-N 430.917 4.084 5 20 IIBD Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1NC(=O)C(C)(C)C 493904822 FLFAMJARPDSHEB-HNNXBMFYSA-N 440.500 4.012 5 20 IIBD Cc1csc(N2CCC(C(=O)N(Cc3ccccc3[N+](=O)[O-])CC(F)(F)F)CC2)n1 501936376 DOVNXYAODVCMEV-UHFFFAOYSA-N 442.463 4.167 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(O[C@H]3CCCC[C@@H]3O)cc2)cc1[N+](=O)[O-] 505186092 UJDRZGVPHJLAAO-FPOVZHCZSA-N 446.525 4.158 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCN([C@@H](C)c2ccccc2F)C1=O 505429194 QEDIDILAAONKQN-AUSJPIAWSA-N 445.516 4.083 5 20 IIBD O=C(Nc1cccc(OCCc2ccccc2)c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 505899669 SRYOJRLTCBSXTF-UHFFFAOYSA-N 435.484 4.282 5 20 IIBD O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 506628144 RKEPXCKYSPHNKS-HNNXBMFYSA-N 448.306 4.343 5 20 IIBD Cc1ccc(-c2csc(NC(=O)c3ccccc3S[C@@H](C)C(N)=O)n2)cc1[N+](=O)[O-] 509116441 AYCNLYVOKZASRX-LBPRGKRZSA-N 442.522 4.245 5 20 IIBD CCOc1cc(C(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)c([N+](=O)[O-])cc1OC 509438733 CJLGVQBSPRGEQX-IBGZPJMESA-N 447.919 4.222 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1[N+](=O)[O-] 509993972 JZKGPMLUCVMZOO-UHFFFAOYSA-N 432.274 4.154 5 20 IIBD COc1ccc(NC(=O)CCN2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c([N+](=O)[O-])c1 510054639 KIKIZWRISIKCGH-UHFFFAOYSA-N 438.459 4.342 5 20 IIBD COc1ccc(CNC(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)cc1[N+](=O)[O-] 510661728 JPMPDENXKNOZEI-OAHLLOKOSA-N 435.864 4.136 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCN[C@@H](c2cccc(Cl)c2)C1 514000863 BYRSGLMWRWEMMU-QGZVFWFLSA-N 428.901 4.158 5 20 IIBD C[C@@H]1CCCN(Cc2ccc(CN[C@@H](c3ccc([N+](=O)[O-])cc3)c3nccn3C)cc2)C1 514089133 OSVGBUYKACLVAD-DVECYGJZSA-N 433.556 4.439 5 20 IIBD Cc1cccc(-c2cnc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc34)s2)c1 516933203 VTTZGLUAORFBNY-UHFFFAOYSA-N 426.479 4.376 5 20 IIBD O=C(Nc1ccccc1)N1CCC[C@H](c2nc(CCNc3ccccc3[N+](=O)[O-])no2)C1 517267835 LKKBLZCOJZCKOX-INIZCTEOSA-N 436.472 4.044 5 20 IIBD CC(C)C[C@@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N[C@H](C)c1ccccc1 521379858 ACYGFKWPDMYBRZ-QUCCMNQESA-N 435.528 4.276 5 20 IIBD COc1ccccc1CN(Cc1cccs1)C(=O)CCn1nc(C)c([N+](=O)[O-])c1C 522482520 QQQUNPIAGVWRKP-UHFFFAOYSA-N 428.514 4.097 5 20 IIBD O=C(Nc1cc(Cl)ccc1N1CCSCC1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 522671134 XEIZSBCPDQSNIP-UHFFFAOYSA-N 444.900 4.308 5 20 IIBD CC(C)(C)Cc1cc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)n(-c2ccccc2)n1 523676078 TVSRMZMLYMZIQY-UHFFFAOYSA-N 449.511 4.128 5 20 IIBD C[C@H](NC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 523746061 RZVUFSKTLABYMY-YHJVDBJQSA-N 449.429 4.401 5 20 IIBD Cc1ccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1OCC1CCOCC1 524952032 PHVMLHASKRJBLD-UHFFFAOYSA-N 436.468 4.147 5 20 IIBD COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)C1 524973844 YIFWJLLBXZVMHU-OAHLLOKOSA-N 448.903 4.126 5 20 IIBD COc1cc(C(=O)N[C@H]2C[C@@H]2C2CCCCC2)c([N+](=O)[O-])cc1OCc1cscn1 525079193 BVAXBQGRWSQVIV-WBVHZDCISA-N 431.514 4.338 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N[C@H]3CCC[C@@H](S(C)(=O)=O)C3)cc2[N+](=O)[O-])cc1 525384061 NRMOJSFBDFMVDB-FUHWJXTLSA-N 448.566 4.140 5 20 IIBD C[C@H](Oc1cccc(Br)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 525655016 LZWNQJMUPYPZQC-VIFPVBQESA-N 431.189 4.365 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1cnn(Cc2ccc(Cl)cc2)c1 531029801 ITALMZOMZZNNAH-UHFFFAOYSA-N 449.692 4.437 5 20 IIBD C[C@H]1c2ccsc2CCN1C(=O)c1cc(I)cc([N+](=O)[O-])c1 534290807 DUMHPGUBDUQOLH-VIFPVBQESA-N 428.251 4.020 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC2CCN(c3nc4ccccc4s3)CC2)c1 538413069 SHFOSPWDSRZURZ-UHFFFAOYSA-N 440.525 4.067 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 539642136 NQRRRCXRPQJEFD-DLBZAZTESA-N 435.402 4.313 5 20 IIBD COc1ccc(NC(=O)N[C@@H](C)[C@@H](OC)c2ccc(Br)cc2)cc1[N+](=O)[O-] 542029755 UTEHIAQREDHPEU-APPDUMDISA-N 438.278 4.264 5 20 IIBD C[C@@]1(CCCO)CCCN1C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 544542512 UVISJFYLIIVWSF-VWLOTQADSA-N 448.523 4.144 5 20 IIBD O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1O)c1ccccc1CS(=O)(=O)c1ccccc1 544661448 BQYQRRLSVONGFT-UHFFFAOYSA-N 446.868 4.180 5 20 IIBD COc1ccc(-c2nc(C)c(-c3nc(-c4ccc(N)c([N+](=O)[O-])c4)no3)s2)cc1OC 544931852 VPVFSILHZKYDLI-UHFFFAOYSA-N 439.453 4.343 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(CN(Cc3ccco3)c3cccc(Cl)c3)n2)nc1 545070136 PGUJTJNXARETFN-UHFFFAOYSA-N 425.832 4.417 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](c1ccc(Cl)cc1)c1ccn(C)n1 545109239 PIKWUAHKIWVQSN-BFUOFWGJSA-N 430.917 4.368 5 20 IIBD COCCOc1ccc(-c2noc(CCOc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1F 547155032 ACYJHQAPSJXGKW-UHFFFAOYSA-N 437.811 4.084 5 20 IIBD Cc1ccccc1Nc1nc(CN2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cs1 550471757 ANEOZYCMDXAFPK-UHFFFAOYSA-N 437.525 4.061 5 20 IIBD O=C(Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2)c1cc2cccc([N+](=O)[O-])c2[nH]1 556581379 RHPLBUKNIDNAJL-UHFFFAOYSA-N 432.408 4.032 5 20 IIBD Cn1cnc(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2cccc([N+](=O)[O-])c2)CCC3)n1 558353997 SRUZSKWBVRJNIA-VBKFSLOCSA-N 440.463 4.401 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3cnn(C[C@H]4CCCO4)c3)cc2[N+](=O)[O-])n1 604097902 XVPBSZCRCWSZRE-OAHLLOKOSA-N 445.526 4.139 5 20 IIBD O=C(NCC1CCN(Cc2ccccc2)CC1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 604430535 UZPLPGDCNWULSS-UHFFFAOYSA-N 434.443 4.230 5 20 IIBD COCCn1ncc2ccc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)cc21 604457573 AXABISPTBHKLKM-UHFFFAOYSA-N 437.500 4.080 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCN(C(=O)c4ccccc4)CC3)c([N+](=O)[O-])c2)cc1 608971109 ALIZXJNEFKNCRY-UHFFFAOYSA-N 444.491 4.118 5 20 IIBD COc1ccccc1[C@H]1CCCN1C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 609036729 MUBDKVJNZGPRAM-OAQYLSRUSA-N 434.496 4.442 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N[C@@H]2CCc3c(Br)cccc32)c([N+](=O)[O-])c1 609039943 KGDXZBNSVBZPLS-MRXNPFEDSA-N 441.285 4.421 5 20 IIBD COc1ccc(C(=O)Nc2cccc(OCCNc3ccc([N+](=O)[O-])cc3F)c2)cc1 609513231 SEDGXPFPLDHFJM-UHFFFAOYSA-N 425.416 4.486 5 20 IIBD O=C(Cc1csc(N2CCCC2=O)n1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609763317 YVIMFWSHJUZGAR-UHFFFAOYSA-N 438.465 4.152 5 20 IIBD C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1cccc(Cl)c1Cl 609796132 ODXXDVCYMMZGAE-GWCFXTLKSA-N 442.324 4.445 5 20 IIBD CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)NCc3ccccc3[N+](=O)[O-])cc2)c1 610019536 GKKXZOSWXUIKOZ-UHFFFAOYSA-N 441.465 4.112 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 610103537 CLQSIIHSLNEJAG-UHFFFAOYSA-N 443.809 4.345 5 20 IIBD COc1ccc(OCCSc2n[nH]c(COc3ccc(Cl)cc3)n2)c([N+](=O)[O-])c1 610219444 WIODPLYRDPMLAJ-UHFFFAOYSA-N 436.877 4.125 5 20 IIBD Cc1[nH]nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1-c1cccc(Cl)c1 612623894 WXBZUUICHJGHMQ-UHFFFAOYSA-N 427.269 4.401 5 20 IIBD COC(=O)c1ccc(-c2nc(COC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])cs2)cc1 725935433 SOMGLCSMBKLASS-UHFFFAOYSA-N 434.376 4.140 5 20 IIBD CCOc1ccccc1NC(=O)[C@@H](OC(=O)c1cc(C)cc([N+](=O)[O-])c1N)c1ccccc1 727901148 SKVOWYBBKJOBEQ-QFIPXVFZSA-N 449.463 4.421 5 20 IIBD CCCCC[C@@H](NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)c1ccccc1 728134885 PDQHTMVLPZIPML-GOSISDBHSA-N 444.557 4.445 5 20 IIBD CCN(Cc1cnn(C)c1)[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 728925666 LBNIIMPNMULGTL-FQEVSTJZSA-N 427.892 4.184 5 20 IIBD C[C@@H](OC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)C(=O)Nc1cccc([N+](=O)[O-])c1 729783152 JWLWKMMMIUCUIJ-GFCCVEGCSA-N 429.816 4.016 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@@H](c1ccc(Br)cc1)C(F)(F)F 731146984 NDUHUPLXIUOEJA-AWEZNQCLSA-N 436.184 4.099 5 20 IIBD C[C@H](OC(=O)[C@@H](C)c1ccccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 731393395 DVGQHGHSUYHNTC-QWRGUYRKSA-N 428.338 4.427 5 20 IIBD CC1=C(C(=O)OC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1CCc1cccs1 731852415 PLMDRPCTWXUJQR-LJQANCHMSA-N 429.498 4.191 5 20 IIBD COc1ccc(C(=O)N2CCC[C@H](C(=O)OCc3ccccc3[N+](=O)[O-])C2)c2ccccc12 732660393 QPBHJBRZTUCNQC-KRWDZBQOSA-N 448.475 4.352 5 20 IIBD COc1cc(C(=O)OCCCOc2ccccc2Br)c([N+](=O)[O-])cc1OC 734289601 KJNRCKOFSTVJQY-UHFFFAOYSA-N 440.246 4.000 5 20 IIBD O=C(COc1ccccc1-c1ccccc1)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 735333808 IGQSTAGDKCDVMO-UHFFFAOYSA-N 448.431 4.182 5 20 IIBD CCc1cccc(CC)c1NC(=O)[C@H](C)OC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 735352970 QVMUEXBWIRIYLG-ZDUSSCGKSA-N 437.452 4.157 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1cccc(NC(=O)CCn2ccnc2)c1 735644972 WQHBDXDBSLUHJE-UHFFFAOYSA-N 428.832 4.001 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@H]1CC(c2c(F)cccc2F)=NO1 735990566 XASCFULSHYQMFA-MRXNPFEDSA-N 430.392 4.128 5 20 IIBD CN(C(=O)c1ccncc1)c1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 736368088 QQGSZPXMFCSCQJ-UHFFFAOYSA-N 439.859 4.242 5 20 IIBD CCOC(=O)N1[C@H](c2ccc(C)o2)CC[C@@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 739589757 PSIYSBTWSLZDKV-VQTJNVASSA-N 443.500 4.297 5 20 IIBD O=C(NC[C@H](O)c1c(Cl)cccc1Cl)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 740943716 JGCPVSJKJRSNBP-HNNXBMFYSA-N 438.292 4.489 5 20 IIBD Cc1c(C(=O)N2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)sc2ccccc12 741200336 MBGBCIXCTSAGJO-UHFFFAOYSA-N 443.912 4.370 5 20 IIBD CCN(CC)C(=O)c1ccccc1NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 743122148 MMTNGIWGWLHKEY-UHFFFAOYSA-N 440.500 4.152 5 20 IIBD CCc1cccc(CC)c1NC(=O)[C@@H](C)OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 743123865 SSNBZTWDOJCDRJ-OAHLLOKOSA-N 436.468 4.089 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@@H](C)Oc3ccc(C)cc3)CC2)ccc1[N+](=O)[O-] 744203302 GVOZREFUKIXASR-QGZVFWFLSA-N 428.485 4.281 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 745567499 ADSRVOOJVBVUQT-OAHLLOKOSA-N 428.750 4.229 5 20 IIBD COc1ccc(NC(=O)COC(=O)[C@H](C)c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 747021962 XEDHIADQYFAARX-SNVBAGLBSA-N 427.240 4.196 5 20 IIBD C[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(N2CCOC2=O)c1 747652529 OWZIRTPFSPPBTG-CYBMUJFWSA-N 438.465 4.166 5 20 IIBD C[C@@H](OC(=O)Cc1cccc(OC(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 748346737 ONIQFIQIIHGBHQ-SNVBAGLBSA-N 446.765 4.260 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2cc(F)c(O)c(F)c2)c2ccccc2)c([N+](=O)[O-])c1 748481363 GYWWJRQWARDXSA-FQEVSTJZSA-N 442.374 4.424 5 20 IIBD O=C(NS(=O)(=O)CCc1ccccc1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 748497439 GWPLMQNQIBFRBC-UHFFFAOYSA-N 442.518 4.048 5 20 IIBD Cc1c(C(=O)N[C@H](C)COc2ccccc2C(F)(F)F)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748630539 NQULCNGXISLOMB-SNVBAGLBSA-N 441.362 4.336 5 20 IIBD CSc1cccc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1 748951351 PNDYMRJTKJIDDL-LBPRGKRZSA-N 433.442 4.026 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 749500981 FNVQCUNRZDADGR-AUJRIZCKSA-N 435.883 4.302 5 20 IIBD COc1ccc(CN(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cc1OC 750827785 AOWWACPONQAEJH-UHFFFAOYSA-N 443.681 4.300 5 20 IIBD CC(=O)OCCCc1cccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 753724298 SWBREEOEULXZOP-UHFFFAOYSA-N 428.488 4.289 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1C 753957817 XBTNBOJMWAOKNW-UHFFFAOYSA-N 437.474 4.060 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N[C@H](CO)C[C@@H](O)c3ccccc3)c([N+](=O)[O-])c2)cc1 754087960 VPXFUAWHJJOYBK-NZQKXSOJSA-N 435.480 4.052 5 20 IIBD COc1ccc(C(=O)[C@@H](C)OC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1Cl 758360986 KVFHIEDCFWJYKM-CQSZACIVSA-N 446.887 4.288 5 20 IIBD Cc1ncc(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(Cl)c1Cl 758498968 HYIQIMOOOURHDV-MRVPVSSYSA-N 432.647 4.442 5 20 IIBD Cc1nc(CC(C)C)c(NC(=O)c2ccc(I)c([N+](=O)[O-])c2)s1 760837356 RYWZCTGDXNFHFE-UHFFFAOYSA-N 445.282 4.415 5 20 IIBD CC(=O)N(c1nc(COC(=O)c2ccc([N+](=O)[O-])n2C)cs1)c1c(C)cc(C)cc1C 761061058 HVNUJDHANGUNPX-UHFFFAOYSA-N 442.497 4.357 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(-c3cc(Cl)ccc3O[C@@H]3CCOC3)no2)cc([N+](=O)[O-])c1 762302869 JJSYZGDXAJRVBA-CQSZACIVSA-N 432.776 4.041 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1cc(Cl)cc(Cl)n1)c1ccccc1[N+](=O)[O-] 762435027 ZUCMUQXVPSNPDH-ZDUSSCGKSA-N 426.256 4.109 5 20 IIBD CN1C(=O)C[C@@H](COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[C@@H]1c1cccc(Cl)c1 763016447 ZGIIXZSSEMHULQ-XOBRGWDASA-N 448.878 4.428 5 20 IIBD CCc1cc(=NC(=O)c2cc([N+](=O)[O-])ccc2Br)c2cc([N+](=O)[O-])ccc2[nH]1 765101839 WKZUYOHRCCANJZ-UHFFFAOYSA-N 445.229 4.050 5 20 IIBD COc1ccc(C(C)(C)C(=O)OCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1 767632567 NRVDLRIXFWZXCT-UHFFFAOYSA-N 425.384 4.234 5 20 IIBD Cc1cc(Sc2ncccn2)ccc1NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 768270772 ZEEXDTKFXMNGLP-UHFFFAOYSA-N 434.474 4.093 5 20 IIBD CN(CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(C(F)(F)F)cc1C=O 769599213 HXVVUKQHULBASS-UHFFFAOYSA-N 435.402 4.054 5 20 IIBD COc1cc(C)c([C@@H](C)OC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1C 770026598 KMATTXNCXHXEQV-OAHLLOKOSA-N 428.441 4.213 5 20 IIBD C[C@H](OC(=O)c1ccc(N)cc1C(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 770062151 LXNMIZJRHZAIRQ-QMMMGPOBSA-N 431.754 4.033 5 20 IIBD CCC(CC)n1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)n1 770288386 IKFKWELEDHPSDO-UHFFFAOYSA-N 439.438 4.134 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc(C(=O)OC(C)(C)C)cc2)cccc1[N+](=O)[O-] 771124147 DTYDMDXSPCDUET-CQSZACIVSA-N 428.441 4.043 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc([C@H]3CCN(c4ccc(C(C)C)cc4)C3=O)n2)c1 771389521 HWLGDOKIADYIRO-LJQANCHMSA-N 436.468 4.221 5 20 IIBD CCN(CC)C(=O)c1ccccc1NC(=O)c1sc(Br)cc1[N+](=O)[O-] 772146572 TUMJSULNKUGPOG-UHFFFAOYSA-N 426.292 4.153 5 20 IIBD CCCN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCN(C(=O)c2ccccc2)CC1 774867855 BVACHFGJIVPQSB-UHFFFAOYSA-N 426.473 4.020 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2cc(-c3cc(F)cc(F)c3)nn2C)cc1[N+](=O)[O-] 775168223 OCLPAENPJIIXJI-UHFFFAOYSA-N 442.831 4.036 5 20 IIBD CC(C)(C)OC(=O)N(CC(=O)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])C1CC1 776139829 RFOWLMHSBSBNQW-FQEVSTJZSA-N 427.457 4.022 5 20 IIBD Cc1cc(C)cc(-n2nc(C(=O)OCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cc2C)c1 777156252 DEFOYSFFSVRXRD-UHFFFAOYSA-N 433.424 4.113 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@H](C)O1 778264739 RNFPWKGGRUOOEU-GJZGRUSLSA-N 432.908 4.226 5 20 IIBD CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)O[C@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)c1 778786417 MCAJQVWXLDZCQC-KRWDZBQOSA-N 429.448 4.154 5 20 IIBD C[C@H](OC(=O)c1ccc(OC2CCCC2)nc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 781767770 NMWSGKGBXDTLKS-LBPRGKRZSA-N 433.848 4.149 5 20 IIBD COc1cccc([C@@H](OC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c2ccncc2)c1 782454784 LQUJDYHYAUBXKY-QFIPXVFZSA-N 430.420 4.131 5 20 IIBD Cc1cnc(COC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)c(C)c1[N+](=O)[O-] 789441762 GSXQLSGAWOJTHH-UHFFFAOYSA-N 430.848 4.376 5 20 IIBD C[C@@H](c1cc2ccccc2o1)N(C)C(=O)COC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790746787 VRGZERANOPJQIT-LBPRGKRZSA-N 448.834 4.439 5 20 IIBD COc1cc(C(=O)Nc2cnc(Br)c(Br)c2)cc([N+](=O)[O-])c1C 790767736 KWWYMWMVXCPVFR-UHFFFAOYSA-N 445.067 4.084 5 20 IIBD O=C(c1cc(-c2cccc(F)c2)no1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791236571 ZUSXWGSONQAKTN-UHFFFAOYSA-N 446.232 4.350 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 794035386 XATFFXOVPPLXDT-QGZVFWFLSA-N 447.532 4.103 5 20 IIBD CCC(=O)c1ccc(N2CCCN(Cc3csc([C@@H](C)OC)n3)CC2)c([N+](=O)[O-])c1 795105009 AYJNGTCPSCJSQW-OAHLLOKOSA-N 432.546 4.064 5 20 IIBD CC(=O)N1CCC(N(Cc2cncs2)Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 795578017 QKRNHTDLZFIKAC-UHFFFAOYSA-N 443.356 4.371 5 20 IIBD C[C@@H](OC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Br)cc1 796441567 AUSOHQSEMGOYIW-GFCCVEGCSA-N 435.274 4.205 5 20 IIBD CC(C)n1ncc(C(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)c1N 798848823 HJBSCHFTBUNBTB-UHFFFAOYSA-N 443.847 4.079 5 20 IIBD COc1ccc(NC(=O)C(=O)Nc2c(F)ccc([N+](=O)[O-])c2C)cc1Cc1ccccc1 800626607 GKNMCDQIODYHMV-UHFFFAOYSA-N 437.427 4.219 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)OCc1csc(C2CC2)n1 801479305 XZNQBQJLWSUFHP-UHFFFAOYSA-N 444.250 4.199 5 20 IIBD O=C(NC1CCCCC1)OC[C@@H]1CCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 804878426 WXNBREZTHKVFCW-KRWDZBQOSA-N 431.514 4.473 5 20 IIBD O=C(c1cc(Br)ncc1Cl)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 808446456 JPUJHKGHSMXPNG-HNNXBMFYSA-N 428.695 4.294 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])c(F)c1)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1 808612232 PKAZZTCKFMEQRZ-UHFFFAOYSA-N 439.436 4.093 5 20 IIBD O=C(Nc1ncc(C2(O)CCCCC2)s1)c1cc(Br)cc([N+](=O)[O-])c1 809775174 DSKGVIMDSBNIOL-UHFFFAOYSA-N 426.292 4.218 5 20 IIBD COCCCCN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F 809809862 CDCIQGRTHHXWST-UHFFFAOYSA-N 430.885 4.005 5 20 IIBD COc1cn(-c2ccccc2)nc1C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811220927 VIXDHEHNAKOGFJ-UHFFFAOYSA-N 436.449 4.270 5 20 IIBD CC(C)(C)OC(=O)NCCC[C@H](NC(=O)c1ccc(O)c([N+](=O)[O-])c1)c1ccccc1 812396837 CUJVRBKSHLLSKK-KRWDZBQOSA-N 429.473 4.076 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813114802 WQFXXWGHCIDAIT-UHFFFAOYSA-N 443.186 4.447 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCN(C(=O)OC(C)(C)C)c2ccccc21 813280643 AFDHSCMNQVGIKD-UHFFFAOYSA-N 427.457 4.395 5 20 IIBD C[C@H](Cc1cnc2ccccc2n1)C(=O)OCc1ccc([N+](=O)[O-])cc1Br 815462422 SWMAKSNGWJOKTJ-GFCCVEGCSA-N 430.258 4.223 5 20 IIBD CCCCN1C(=O)C[C@H](C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)[C@@H]1c1ccc(OC)cc1 825487941 JKHTYHMZOLSFLX-BTYIYWSLSA-N 447.438 4.210 5 20 IIBD C[C@@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 827005659 IDOFMVOUOZUURX-VXGBXAGGSA-N 445.522 4.334 5 20 IIBD C[C@H](OC(=O)CCNc1ccccc1[N+](=O)[O-])C(=O)Nc1nc(-c2ccccc2)cs1 842050487 YELNLQGXKVVDCA-AWEZNQCLSA-N 440.481 4.091 5 20 IIBD CCN(Cc1cc(Br)ccc1F)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 914504443 YQPHWZZYJVMYON-UHFFFAOYSA-N 440.225 4.375 5 20 IIBD O=C(COC(=O)CCOc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1C(F)(F)F 915451175 UDYAOFZKYAXXSU-UHFFFAOYSA-N 446.765 4.218 5 20 IIBD CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(C(C)C)c([N+](=O)[O-])c2)NC(=S)N1 916192121 VTNXKVLLNILAOJ-FQEVSTJZSA-N 425.510 4.254 5 20 IIBD CCOC(=O)C[C@H](c1ccccc1)C1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 917482229 HXJAFYBABVHLRS-JOCHJYFZSA-N 436.512 4.351 5 20 IIBD COc1ccc2[nH]cc(C3=CCN(C(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4C)CC3)c2c1 918114168 CVVAGXDEGBDPPI-UHFFFAOYSA-N 436.424 4.231 5 20 IIBD C[C@H](NC(=O)COC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 920778430 RRZZYLMRKAKWHG-NWDGAFQWSA-N 441.267 4.090 5 20 IIBD O=C(c1ccco1)N1CCC(NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 1319813575 FAEKSLJHTSZRRY-UHFFFAOYSA-N 429.860 4.496 5 20 IIBD O=C(c1cncc(-c2ccc(Cl)cc2)c1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1332313127 VFYBRMWJUSSLSI-UHFFFAOYSA-N 436.899 4.268 5 20 IIBD CCc1nc(C)c([C@@H](C)N(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2N)s1 1340051866 VMNQIEQTBWYGQX-SECBINFHSA-N 427.324 4.100 5 20 IIBD Cc1cccc(/C=C/C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])[nH]4)CCC3)cc2)n1 1785825070 CVYDNWZEOYINHL-JLHYYAGUSA-N 445.479 4.087 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1F)c1sccc1Cl 1800350471 XMXJGRDYGSRPRV-ZSBIGDGJSA-N 437.880 4.014 5 20 IIBD Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(C)c1 5731806 BJOXXQGQLDIFKI-QGZVFWFLSA-N 425.485 4.304 5 20 IIBD C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 9532076 PZUZEXDQRFXSMR-JTQLQIEISA-N 435.868 4.302 5 20 IIBD O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 14585710 KOABJWJEJZPXQX-UHFFFAOYSA-N 427.392 4.435 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)COc1ccccc1Cl 16014883 AWILPKJRLVSKRX-UHFFFAOYSA-N 430.848 4.114 5 20 IIBD CC(C)N(CCNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C 21577224 YJCOGKLBQLIZKW-UHFFFAOYSA-N 446.935 4.349 5 20 IIBD COc1ccc(C2=NN(C(=O)COc3cc(F)ccc3[N+](=O)[O-])[C@@H](c3ccco3)C2)cc1 22114030 NFEFAPABIBQHTN-LJQANCHMSA-N 439.399 4.092 5 20 IIBD COc1cc2c(cc1NC(=O)c1ccc(-n3cncn3)c([N+](=O)[O-])c1)oc1ccccc12 22559757 GINZNRIQEGQFQS-UHFFFAOYSA-N 429.392 4.336 5 20 IIBD CCN1CCN(c2ccc(NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)c(C)c2)CC1 25187103 ZLLQLCYTLJVHPY-QGZVFWFLSA-N 428.558 4.164 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)N(CC)CC)c(Cl)c2)cc1OC 27393854 QZDDNZPFNDKOOD-UHFFFAOYSA-N 449.891 4.390 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1csc(Br)c1 30562589 VFRCCTOYLLBQNM-UHFFFAOYSA-N 438.225 4.280 5 20 IIBD COc1ccc(CSCC(=O)Nc2nc3cc(F)c(F)cc3s2)cc1[N+](=O)[O-] 58780056 KRHQKIVRDBOKAH-UHFFFAOYSA-N 425.438 4.363 5 20 IIBD O=C(Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1)c1ccc([N+](=O)[O-])s1 59279607 AMDCJSVKIKKFOF-UHFFFAOYSA-N 436.537 4.226 5 20 IIBD Cc1cc(C)n(-c2ccc(CNC(=O)NCc3ccc([N+](=O)[O-])cc3)c(C(F)(F)F)c2)n1 63326264 WZZWRTHEMXRMBA-UHFFFAOYSA-N 447.417 4.416 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCCN(C(C)(C)C)CC3)cc2[N+](=O)[O-])n1 63727025 IFDZEBVLHCSPBP-UHFFFAOYSA-N 434.587 4.457 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCCc3c[nH]c4cc(F)ccc34)cc2)c(C)c1[N+](=O)[O-] 65161185 MQPQZKOROCUPSA-UHFFFAOYSA-N 435.459 4.049 5 20 IIBD Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n(-c2ccc(C(F)(F)F)cn2)n1 72090606 KVIDAKHKJRONFO-UHFFFAOYSA-N 425.754 4.408 5 20 IIBD CCc1cc(NC2CCN(C(=O)c3ccccc3F)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 301072702 HNCYZUPVVWRCPM-UHFFFAOYSA-N 449.486 4.470 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(CCc1ccccc1)[C@H]1CCOC1 426270547 IZWDCEVIYUBDOX-SFHVURJKSA-N 437.418 4.157 5 20 IIBD COc1ccc([C@@H](CC(=O)O)NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1OC 426792402 MFDIZWCSTFZPKO-QGZVFWFLSA-N 443.481 4.041 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1cccc(NC(=O)c2cccs2)c1 427903669 AGPNEDLLNNGOEO-UHFFFAOYSA-N 448.460 4.474 5 20 IIBD O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 429187502 ZPXVGMXZSQGYIK-ISKFKSNPSA-N 441.503 4.182 5 20 IIBD CC(C)(NC(=O)c1cccc(NC(=O)c2ccc3nc[nH]c3c2)c1)c1ccc([N+](=O)[O-])cc1 431433673 USGOAMNHCIOYMS-UHFFFAOYSA-N 443.463 4.389 5 20 IIBD Cc1ccccc1[C@H](NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)C(C)(C)C 431609713 NWPYBDHRHWBHJW-IBGZPJMESA-N 444.557 4.220 5 20 IIBD CC(C)(C(=O)NCc1ccc(N2CCc3ccccc3C2)nc1)c1ccccc1[N+](=O)[O-] 431832649 LITKVWBECDUSBU-UHFFFAOYSA-N 430.508 4.147 5 20 IIBD CCN(CC)[C@H](CNC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 433994740 QBMQBJIWJBPKKC-OAHLLOKOSA-N 441.454 4.273 5 20 IIBD CCc1ccc(C(=O)Nc2c(C)cnn2[C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] 434315266 BJZSMUHFXCXVIW-NRFANRHFSA-N 433.512 4.361 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCc2cc(Cl)cc(Cl)c2[C@H]1C 434594783 IMXPQVBFRSTHQV-NWDGAFQWSA-N 436.295 4.166 5 20 IIBD COc1ccc(CN(C)C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c(OC)c1 435834305 HXKIIKJVTCWPLF-UHFFFAOYSA-N 438.430 4.249 5 20 IIBD Cc1nc(-c2ccc(Br)cc2)c(NC(=O)c2ccc([N+](=O)[O-])cc2O)n1C 436700575 WMNSRPYJGWWBQO-UHFFFAOYSA-N 431.246 4.024 5 20 IIBD O=C(Nc1cccc(CCC(F)(F)F)c1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 437061134 UVZLMOAIHWBWJG-UHFFFAOYSA-N 435.402 4.219 5 20 IIBD C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437130457 VTUWTUPYCDTGIE-GFCCVEGCSA-N 436.295 4.211 5 20 IIBD O=C(N[C@@H](C1CCCC1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1I 437931566 GKMCEXQPQAYSPQ-LBPRGKRZSA-N 442.175 4.050 5 20 IIBD COC(=O)c1cc(CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])oc1C 440685618 SKZOOTRKWILCJV-UHFFFAOYSA-N 426.450 4.364 5 20 IIBD CCCN(C(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 441463563 KPXLRYQXUXOKQT-QGZVFWFLSA-N 445.541 4.072 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3O 443003246 QTTLDEZAMMXZDS-OAJHIWMTSA-N 430.913 4.241 5 20 IIBD CCCCOCCN(C(=O)c1n[nH]c(CC)c1[N+](=O)[O-])c1cccc(Br)c1 444245939 LDNZGMFJQCJRKC-UHFFFAOYSA-N 439.310 4.106 5 20 IIBD C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444322371 IUZJKMNCAKCFEU-NYHFZMIOSA-N 447.485 4.210 5 20 IIBD CCOc1ccccc1[C@H](CC(C)C)NC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 445123237 ZPGPOJSJTVJSIA-SFHVURJKSA-N 425.489 4.456 5 20 IIBD CCOC(=O)CCc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1 446027181 WPMPJKDCRMADIS-UHFFFAOYSA-N 435.274 4.034 5 20 IIBD CCOc1cc(C(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@H]2C)c([N+](=O)[O-])cc1OC 446250462 UPSWRXQAPYGGRV-ZUOKHONESA-N 434.876 4.258 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F 446356972 GMTGUIUHXGIBLS-OAHLLOKOSA-N 435.761 4.499 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CC(C)(C)Sc3ccccc32)cc1[N+](=O)[O-] 446434790 OWYKCENKJBTJIS-UHFFFAOYSA-N 441.538 4.406 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H](C)c2cccc(N3CCCC3)c2)cc1[N+](=O)[O-] 446483287 BLXSCURYBBSFDW-INIZCTEOSA-N 429.542 4.314 5 20 IIBD CCOCc1ccccc1CNC(=O)CSc1ccc(Br)cc1[N+](=O)[O-] 447350954 VVODDLYEIOCYIU-UHFFFAOYSA-N 439.331 4.302 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@@H]3Cc3ccccc3)n2C[C@@H]2CCOC2)c1 461367029 QIVXODGJMSNGFL-PZJWPPBQSA-N 433.512 4.101 5 20 IIBD C[C@@H]1[C@@H](Cc2ccccc2)CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 461642086 SYOKYKCBQKZXCC-HLAWJBBLSA-N 447.539 4.347 5 20 IIBD C[C@H](c1ccccc1)N1CC[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 462558732 VXXUZEBJQKMJJR-DOMZBBRYSA-N 444.340 4.015 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1C[C@@H](n2cccn2)Cc2ccccc21 464424202 AQFWNKBBDWQPJO-SFHVURJKSA-N 431.477 4.359 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N[C@@H](CCc1ccccc1)c1ccccc1 465033998 PUAYBRUYAFTPCK-NRFANRHFSA-N 432.476 4.399 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NCC1(Sc2ccccc2)CCCC1 465127504 IIJXBIYXPUVNTK-UHFFFAOYSA-N 428.510 4.130 5 20 IIBD CN(C)C(=O)Cn1ccc2ccc(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)cc21 465153826 UWTMHJHNADMDIP-UHFFFAOYSA-N 449.492 4.014 5 20 IIBD Cc1cc(N2C(=O)c3ccccc3C2=O)ccc1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl 466271078 MNSMVKSZBNSXAR-UHFFFAOYSA-N 449.850 4.287 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1OCCOCC(F)(F)C(F)F 468474430 FSIMOSDQMRELSP-UHFFFAOYSA-N 427.148 4.201 5 20 IIBD Cc1nnc(-c2cc(F)ccc2NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)o1 471384860 PXKBSHZSBSAPNP-UHFFFAOYSA-N 425.401 4.468 5 20 IIBD O=[N+]([O-])c1ccccc1CNc1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 475180112 VSHFPGKVRQDCMI-UHFFFAOYSA-N 429.523 4.015 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NC[C@@H](CCO)c3ccccc3)cc2[N+](=O)[O-])n1 476084252 LQXLNRMQPDKPPZ-QGZVFWFLSA-N 443.550 4.407 5 20 IIBD CC(C)c1sc(NC(=O)Cn2cc([N+](=O)[O-])cc(Cl)c2=O)nc1-c1ccccc1 477521118 GACBOYIIZJQWCA-UHFFFAOYSA-N 432.889 4.296 5 20 IIBD COc1cc(OCC(=O)NCc2nc(-c3cc4ccccc4o3)cs2)ccc1[N+](=O)[O-] 477926307 HDSLDLWCYULQFG-UHFFFAOYSA-N 439.449 4.168 5 20 IIBD Cc1onc(-c2cccc(Cl)c2)c1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 479361634 PRVPEHBXBIKAGD-UHFFFAOYSA-N 426.860 4.174 5 20 IIBD C[C@H](Nc1ccc2oc(N(C)C)nc2c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 479892385 SQUFATWYZLDRLG-JTQLQIEISA-N 437.378 4.260 5 20 IIBD COc1cc(C(=O)NCC2(c3ccccc3Cl)CC2)c([N+](=O)[O-])cc1OC(F)F 482294836 NFRBCHNNMPHZNG-UHFFFAOYSA-N 426.803 4.320 5 20 IIBD C[C@H]1CCCN(Cc2csc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])n2)C1 485893892 GLCKPEXKWFCLLK-NSHDSACASA-N 439.335 4.298 5 20 IIBD CSc1cccc(C(=O)N[C@H]2CC3(CCN(C)CC3)Oc3ccccc32)c1[N+](=O)[O-] 486463197 CLSFNFUXDAQSIU-KRWDZBQOSA-N 427.526 4.035 5 20 IIBD O=[N+]([O-])c1ccn(C2CCN(Cc3csc(COc4ccc(Cl)cc4)n3)CC2)n1 488986228 RUROQVOMQYASKC-UHFFFAOYSA-N 433.921 4.317 5 20 IIBD O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CCS[C@H]2COCC[C@@H]21 489021260 VPEWZAAIESEIHC-ICSRJNTNSA-N 447.944 4.207 5 20 IIBD O=C1CN(Cc2ccccc2)[C@@H](c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)N1 489108321 VUNBICGCULZDDO-VWLOTQADSA-N 439.475 4.078 5 20 IIBD CCCN(C(=O)c1cc(OC)c(OCC)cc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ccccc1C 489993568 JATIOTRAWWNNJS-MRXNPFEDSA-N 443.500 4.190 5 20 IIBD CC(C)(C)CNC(=O)c1ccc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 498149711 PMCVEHCHBPZBGJ-NRFANRHFSA-N 427.526 4.259 5 20 IIBD Cc1cc(NC(=O)c2nn(-c3ccccc3Cl)cc2C)n(-c2ccc([N+](=O)[O-])cc2)n1 499132912 JGCGYECWADGNEZ-UHFFFAOYSA-N 436.859 4.489 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCCc2cccc(Br)c21 500339610 IFJYZMOZZOAQNT-UHFFFAOYSA-N 431.695 4.152 5 20 IIBD O=C(CSc1nnc(N2CCCC2)n1-c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 501482831 GOYHLMKDJRNFDZ-UHFFFAOYSA-N 443.916 4.404 5 20 IIBD CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCSc2ccc(Br)cc21 504566005 MUTGHYJLFNHDTR-CQSZACIVSA-N 437.315 4.432 5 20 IIBD CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC1CCN(CC(=O)Nc2ccccc2)CC1 504895595 VEQZOAXKKQJTII-SFHVURJKSA-N 442.585 4.158 5 20 IIBD C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 506614672 NTGTWIAITODRKI-INIZCTEOSA-N 445.494 4.112 5 20 IIBD CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N(C)CCc1ccccc1[N+](=O)[O-] 506743897 PQTVLQKZKBTCBO-UHFFFAOYSA-N 435.933 4.388 5 20 IIBD CCN(Cc1cccs1)C(=O)c1cc([N+](=O)[O-])cc(I)c1C 509061683 VRTLNMUJGYGWEG-UHFFFAOYSA-N 430.267 4.232 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2ccc(C(=O)NCC(C)C)cc2)cc1[N+](=O)[O-] 510025100 YQHHPHHJFGXISZ-UHFFFAOYSA-N 434.290 4.304 5 20 IIBD CC(C)[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc2c(c1)OCCO2 510863093 XWUVKXAXMJNFDB-GOSISDBHSA-N 437.399 4.486 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H](C[C@H]1CCOC1)c1ccccc1 512999736 UIUYWTPECAANTE-MLGOLLRUSA-N 445.324 4.348 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 513465293 NEPZYMILBOEAAA-UHFFFAOYSA-N 444.896 4.499 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 514213061 CSFMVJSTVOXZPN-LJQANCHMSA-N 434.899 4.066 5 20 IIBD COc1ccc(C2=NN(C(=O)COc3cccc([N+](=O)[O-])c3C)[C@@H](c3ccco3)C2)cc1 515571449 POTUCDHNZLONHO-HXUWFJFHSA-N 435.436 4.262 5 20 IIBD Cc1sc(NC(=O)[C@H]2CSCN2C(=O)CC(C)(C)C)nc1-c1cccc([N+](=O)[O-])c1 517346333 SDPBLWNGNWHIFD-OAHLLOKOSA-N 448.570 4.303 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(-c2nc(CC(=O)Nc3cccc(C(F)(F)F)c3)no2)c1 520890292 OOOVCTXOXOLGMQ-UHFFFAOYSA-N 436.346 4.244 5 20 IIBD COC(=O)c1c(F)cccc1NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 521533840 MRGNIGHIJLYNTQ-ZIAGYGMSSA-N 429.448 4.255 5 20 IIBD CN(C)CCOc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1Cl 522644226 LHZRTKYSVNYVPO-UHFFFAOYSA-N 449.938 4.387 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cnn(CC(F)(F)F)c1 522822787 SRDAKYJKWGXBRA-UHFFFAOYSA-N 428.314 4.103 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCC[C@H]2CN2CCCCC2)cc1[N+](=O)[O-])c1ccccn1 524338753 KQMYFYDZPKYOSB-QUCCMNQESA-N 437.544 4.253 5 20 IIBD O=[N+]([O-])c1ccc(-c2ncn(Cc3ncc(-c4ccc(Br)cc4)o3)n2)cc1 525632988 ZJNCUTBFVSOLFD-UHFFFAOYSA-N 426.230 4.319 5 20 IIBD O=C(c1ccc(=O)n(-c2cccc(F)c2)c1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 531433644 QNEDWHSJNGAYAS-UHFFFAOYSA-N 449.360 4.090 5 20 IIBD O=C(O)[C@@H]1CCN(C(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C1 532676627 RPHPDGCXOAVNQA-DFSFMLJYSA-N 437.477 4.068 5 20 IIBD CN(C(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F)c1cccc([N+](=O)[O-])c1 533606989 MMONLZCLGDMLHP-UHFFFAOYSA-N 425.754 4.124 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)Nc2ccc(C(C)=O)cn2)cc1[N+](=O)[O-] 534074182 AKPVZUGOMQMZON-UHFFFAOYSA-N 435.461 4.398 5 20 IIBD Cc1nn(CCC(=O)NCc2ccc(-c3ccc4c(c3)C[C@@H](C)O4)cc2)c(C)c1[N+](=O)[O-] 534578003 QDFVJKQIXPLKFU-OAHLLOKOSA-N 434.496 4.105 5 20 IIBD CCc1onc(C)c1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 534776113 HDADRFVLIJUDIP-UHFFFAOYSA-N 431.452 4.488 5 20 IIBD O=C(Nc1ccccc1-c1nc[nH]n1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 536206172 UGLWMCDVAVPENY-UHFFFAOYSA-N 444.238 4.125 5 20 IIBD COCCn1ccc2ccc(NC(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)cc21 537803096 RQKMPCXZOQPICR-UHFFFAOYSA-N 438.484 4.271 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)c1 540629060 VMTNKQLGYPRAIV-UHFFFAOYSA-N 438.440 4.150 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCC(OC[C@H]2CCOC2)CC1 541472205 HNIFHFYUCWNYCX-KRWDZBQOSA-N 426.469 4.045 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)N[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)n2)cc1F 541690710 RBIJWKJIODBONK-NWDGAFQWSA-N 447.854 4.424 5 20 IIBD CCOc1ccc(NC(=O)CN[C@H](C)c2oc3ccc(OC)cc3c2C)c([N+](=O)[O-])c1 544483282 WGWKZCRSPKAPKB-CQSZACIVSA-N 427.457 4.346 5 20 IIBD Cc1cc(Br)cn2cc(CCN[C@@H](Cc3ccccc3[N+](=O)[O-])C3CC3)nc12 544896804 ILQQSCLEYROBDX-IBGZPJMESA-N 443.345 4.467 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3ccc(Cn4ccnc4)cc3)n2)c(Br)c1 545011539 NXWFUERWWPRJCW-UHFFFAOYSA-N 440.257 4.243 5 20 IIBD CN(Cc1nc(Cc2c[nH]c3cc(Br)ccc23)no1)c1ccccc1[N+](=O)[O-] 545128070 AXQMPLZRYBIWNH-UHFFFAOYSA-N 442.273 4.449 5 20 IIBD O=C1C[C@@H](c2noc(-c3csc(-c4cccc([N+](=O)[O-])c4)n3)n2)CN1Cc1ccccc1 545129151 MGZJZBWYLPWGGU-MRXNPFEDSA-N 447.476 4.284 5 20 IIBD COc1cc(F)cc2sc(NC(=O)c3sc(Br)cc3[N+](=O)[O-])nc12 555987004 KTIOMVPXPNXRQY-UHFFFAOYSA-N 432.252 4.429 5 20 IIBD COc1c(NCc2cc([N+](=O)[O-])ccc2OC(F)F)cc(Cl)cc1C(=O)N(C)C 556627891 SBHGNNVNWWXOAC-UHFFFAOYSA-N 429.807 4.172 5 20 IIBD C[C@@H](C(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl)c1cccc([N+](=O)[O-])c1 559374948 WIFGJBCEBOSCHA-LLVKDONJSA-N 431.798 4.351 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccs1)N1CCCC1 559544111 VQZZQEWYLFQCQW-MRXNPFEDSA-N 438.347 4.294 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC1(c2ccccc2Br)CC1 562872427 IRHWZZFKTVRITO-UHFFFAOYSA-N 432.318 4.273 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@]2(CO)C[C@H]2c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 564014399 ZHIKSHLGPKXNFX-SZUKKWSHSA-N 446.507 4.059 5 20 IIBD C[C@H](C(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1)c1cccc([N+](=O)[O-])c1 566833773 UIUAUBCPRZHLRP-LBPRGKRZSA-N 449.485 4.338 5 20 IIBD O=C(NCC(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1)NCc1ccc([N+](=O)[O-])cc1 582688624 IONWCAVQTZUGOA-FQEVSTJZSA-N 444.919 4.191 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2c2nc(-c3ccc(N(C)C)cc3F)no2)ccc1[N+](=O)[O-] 583466534 LXHDVCLFMHUTEO-LJQANCHMSA-N 439.447 4.136 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 590548653 ALZDJTZXKFTOCE-UHFFFAOYSA-N 445.522 4.004 5 20 IIBD COc1cc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc(OC)c1OCc1ccccc1 603568978 JPWZRYNMSZLRAM-UHFFFAOYSA-N 436.464 4.463 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)cc1[N+](=O)[O-] 604480918 AACDFSIFHZXZJK-LJQANCHMSA-N 442.497 4.203 5 20 IIBD O=C(NC[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1)Nc1cccc(F)c1 608866433 OLXQOHUTIXSMPB-ZDUSSCGKSA-N 434.855 4.061 5 20 IIBD O=C(Nc1nc2c(C(F)(F)F)cccc2s1)c1cc([N+](=O)[O-])cc2c1OCCO2 608932878 AIRWVHPCWWFURU-UHFFFAOYSA-N 425.344 4.247 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N=c2nc(C(C)(C)C)[nH]s2)cc1 609023295 CSOYIHVZUVRJSY-UHFFFAOYSA-N 428.470 4.219 5 20 IIBD COc1ccc(CC(=O)N(Cc2ccc3c(c2)OCO3)c2ccc(F)cc2)cc1[N+](=O)[O-] 609262873 UBUGQKAIINNKIT-UHFFFAOYSA-N 438.411 4.247 5 20 IIBD O=C(NCCOC[C@H]1CCOC1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 609463598 NSFFYPJCOOHWMX-AWEZNQCLSA-N 436.917 4.182 5 20 IIBD COc1cc(CN[C@@H](CO)c2c(F)cccc2F)ccc1OCc1ccc([N+](=O)[O-])cc1 609708781 WWSBLJBQNYGPFI-FQEVSTJZSA-N 444.434 4.284 5 20 IIBD CCOc1ccc(NC(=O)[C@H](C)SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cc1 609770639 GCMFZAFKRGTCPW-AWEZNQCLSA-N 445.497 4.052 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC(c2nc(-c3ccccc3)no2)CC1 609785505 IUYZLKOPLVTKCR-UHFFFAOYSA-N 426.860 4.247 5 20 IIBD CC[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)Cc1cccc(Br)c1 609868398 RGVUGMIAANSFAO-LBPRGKRZSA-N 435.274 4.085 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)N1CCO[C@@H]([C@@H]2CCCO2)C1 610687621 POXAGZITNFNRLX-RBUKOAKNSA-N 448.928 4.419 5 20 IIBD COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)ccc1NC(N)=O 611212634 QPFCSHKJLFBRKD-UHFFFAOYSA-N 430.486 4.381 5 20 IIBD COC(=O)c1cnc(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)s1 613328555 ISMVRULJSFXDHN-UHFFFAOYSA-N 446.872 4.356 5 20 IIBD Cn1cnc([N+](=O)[O-])c1Sc1nnc(COc2ccccc2Cl)n1-c1ccccc1 619685277 UPUPVAFFFCUAFF-UHFFFAOYSA-N 442.888 4.293 5 20 IIBD Cc1nc(-c2ccsc2)ccc1C(=O)O[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 726233865 VOAGKUXOGVBHQM-LBPRGKRZSA-N 429.429 4.350 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(C(=O)OC(C)(C)C)Cc2ccccc21 728055428 XENVYZOGVSJWAN-UHFFFAOYSA-N 440.500 4.099 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)cc([N+](=O)[O-])c1 729402347 RUZJNRAQIOBUIO-UHFFFAOYSA-N 429.429 4.371 5 20 IIBD O=C(CCOc1ccc(Cl)cc1Cl)O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 731514341 SFXPZPXQQYVLRS-KRWDZBQOSA-N 439.251 4.019 5 20 IIBD O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 731578863 UFQOGQLLGGVIDG-UHFFFAOYSA-N 436.409 4.065 5 20 IIBD O=C(/C=C/C1CCOCC1)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 732629609 WNATXPFURBZOCI-UNXLUWIOSA-N 430.844 4.389 5 20 IIBD Cc1ccc(-n2nc(-c3ccco3)cc2NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 739384505 IEKMRUKBFGXQAW-UHFFFAOYSA-N 442.428 4.289 5 20 IIBD O=C(OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])[C@@H]1C[C@@]12CCCc1ccccc12 744118310 YSMLBNFCCZKFRV-CTIGNXTNSA-N 434.492 4.037 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H](n3cccn3)Cc3ccccc32)CC1 744374086 LVWRQDKAHRIVAE-NRFANRHFSA-N 445.523 4.472 5 20 IIBD CC/C(=C/C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1cccc(Cl)c1 744592015 YQVJWKBTUNJRHA-NXVVXOECSA-N 427.888 4.026 5 20 IIBD CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 745171245 GSFWMJALYBORPQ-CYBMUJFWSA-N 447.875 4.417 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)OCC(=O)c3ccc4c(c3)COC4)cc2[N+](=O)[O-])C1 746536979 LFSJJPGASLWICN-IYBDPMFKSA-N 438.480 4.147 5 20 IIBD O=C(O[C@H](Cn1cncn1)c1ccc(Cl)cc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 747221417 QUSGQNBDLNJQHW-MRXNPFEDSA-N 440.765 4.457 5 20 IIBD CCOc1ccc(NC(=O)[C@H](C)OC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 747957811 CHVWJSMCVHMGAH-ZDUSSCGKSA-N 441.465 4.301 5 20 IIBD Cc1c(C(=O)N[C@H](C)c2nc3ccccc3n2C(F)F)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748616815 APEHCUYSXNWNAJ-LLVKDONJSA-N 433.371 4.356 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)O[C@H](c1ccccc1)c1nc(-c2ccccc2)no1 749055342 POHPBGPLEBONCI-OAQYLSRUSA-N 449.394 4.496 5 20 IIBD O=C(OCCn1cnc([N+](=O)[O-])n1)[C@H](Sc1ccc(F)c(Cl)c1)c1ccccc1 749081056 WTULQWBSZOKYFP-MRXNPFEDSA-N 436.852 4.056 5 20 IIBD COc1ccc(CN(C)C(=O)[C@H](OC(=O)c2cccc(Cl)c2[N+](=O)[O-])C(C)C)cc1 750532887 JBJIJLOSXKJXFU-LJQANCHMSA-N 434.876 4.097 5 20 IIBD Cc1cc(N2C(=O)c3ccccc3C2=O)ccc1C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F 750818810 IDHXEJMKMXVTCD-UHFFFAOYSA-N 437.358 4.234 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CCCCC[C@H]1C[C@H](O)c1ccccc1 752108515 ARIUUDVUXVTAEO-UGKGYDQZSA-N 449.507 4.417 5 20 IIBD C[C@H](OC(=O)c1c(F)ccc([N+](=O)[O-])c1F)C(=O)N[C@@H](C)c1cccc2ccccc12 752560236 VZUKQSYLZAYMKS-STQMWFEESA-N 428.391 4.449 5 20 IIBD C[C@H](OC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ncc(-c2ccc(Cl)cc2Cl)o1 753357709 ANPZNOKZHZVDHJ-JTQLQIEISA-N 438.223 4.023 5 20 IIBD Cc1ccc(-n2cnc3c2CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C3)cc1 753785795 MYYMBGMTBXKNPE-OAHLLOKOSA-N 439.903 4.128 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)Cc1ccccc1Br 754984945 COWMRPFGSXVSEK-UHFFFAOYSA-N 430.613 4.118 5 20 IIBD CSc1ccc(C(=O)COC(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cc1NC(C)=O 754990900 VIGUJOYSXKHPFR-UHFFFAOYSA-N 440.836 4.107 5 20 IIBD C[C@@H](C(=O)OCC(=O)N[C@H](c1ccccc1)c1cccs1)c1ccc([N+](=O)[O-])cc1F 755054823 NGFHQHQXSOURLB-SPLOXXLWSA-N 442.468 4.348 5 20 IIBD CN(C)Cc1ccsc1C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 756081470 RHSAPEHJPCZRPL-UHFFFAOYSA-N 425.466 4.189 5 20 IIBD C[C@@H](OC(=O)c1ccn(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 757867168 KEOGBSNUWNJZSH-LLVKDONJSA-N 449.250 4.271 5 20 IIBD C[C@]1(C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCCN(C(=O)c2ccccc2)C1 760524254 BVKSJLXADHPWKU-DEOSSOPVSA-N 449.463 4.236 5 20 IIBD COc1ccccc1[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccccn1 760682222 OYJVQLYDLPGUDO-IBGZPJMESA-N 442.269 4.280 5 20 IIBD CCSCc1ccnc(NC(=O)c2ccc(I)c([N+](=O)[O-])c2)c1 761964580 MGOORCNADCJVGJ-UHFFFAOYSA-N 443.266 4.100 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F 762473529 FBSMZDQGLYKTRT-ZBFHGGJFSA-N 435.496 4.012 5 20 IIBD C[C@H](C(=O)N1CCC(=C2C(=O)Nc3cc(Cl)ccc32)CC1)c1cccc([N+](=O)[O-])c1 762866428 UCGFLTFWFPCIQW-ZDUSSCGKSA-N 425.872 4.380 5 20 IIBD C[C@H](C(=O)OC[C@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 764018572 MSKKTEXQDSQCOJ-DJJJIMSYSA-N 446.422 4.431 5 20 IIBD O=C(NCC[S@@](=O)Cc1ccccc1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 764200197 UWROMMOWFCAFCL-GDLZYMKVSA-N 432.567 4.308 5 20 IIBD CN(C(=O)C(C)(C)C)c1ccc(OS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 765203427 NMGYSMVFBJACPU-UHFFFAOYSA-N 426.878 4.025 5 20 IIBD C[C@@H](C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(Br)cc1 766993096 BUDNOBQEQZXVHI-LLVKDONJSA-N 432.230 4.254 5 20 IIBD COC(=O)c1cc(C(=O)Oc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)cc([N+](=O)[O-])c1 767062002 IAOHRECGIJQTJV-CYBMUJFWSA-N 444.440 4.186 5 20 IIBD O=Cc1cc(Cl)cc(F)c1OS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 768563538 RZSXGLGRBDKLCV-UHFFFAOYSA-N 428.608 4.274 5 20 IIBD Cc1csc(Sc2ccc(C(=O)O[C@@H]3CCO[C@@]4(CCOC4)C3)cc2[N+](=O)[O-])n1 774944319 BZZMWFHCKOYDTE-KUHUBIRLSA-N 436.511 4.006 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc2c1N(C(=O)c1ccn(-c3ccccc3[N+](=O)[O-])n1)CC2 775296113 RWVBGSLWJUYDRJ-UHFFFAOYSA-N 449.467 4.330 5 20 IIBD O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 776005828 GCVPOXQDLXRXFG-QGZVFWFLSA-N 444.360 4.008 5 20 IIBD C[C@@H]1C[C@H](C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCO1 776413456 RMTTWOKMENZIGR-ZXYWRSMDSA-N 432.860 4.286 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc(CC(=O)O[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 777332114 FARGOWUJENZNKN-ROUUACIJSA-N 444.488 4.408 5 20 IIBD O=C(Nc1ccccc1SCC(F)(F)F)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781595827 YRLCMJYJFOYGTJ-OAHLLOKOSA-N 425.388 4.381 5 20 IIBD CC1=C(C(=O)Nc2cccc(C)c2C)[C@@H](c2ccc([N+](=O)[O-])cc2Cl)NC(=S)N1 783937386 DZRDSSBYMOPEEP-GOSISDBHSA-N 430.917 4.297 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)cc1[N+](=O)[O-] 784349469 DTKICELJESAEFM-DSLXNQLJSA-N 446.548 4.299 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1F 788132846 LJEWMZIMCFUMKF-UHFFFAOYSA-N 447.772 4.425 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cc(C(F)(F)F)cnc1Cl 789021626 MOUPGNFOOGDLKO-UHFFFAOYSA-N 428.710 4.069 5 20 IIBD COc1ccc(NC(=S)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cc1F 789341770 WCCUWEHGJBOHJZ-UHFFFAOYSA-N 440.294 4.260 5 20 IIBD CCn1ncc2c(C(=O)OCc3ncc(C)c([N+](=O)[O-])c3C)cc(-c3ccccc3)nc21 789440981 SFEYBXUVCWTLCG-UHFFFAOYSA-N 431.452 4.395 5 20 IIBD CCOc1cc(OCc2nnc(-c3ccc(Br)s3)o2)ccc1[N+](=O)[O-] 790294010 WESDKCNMDBELRV-UHFFFAOYSA-N 426.248 4.447 5 20 IIBD Cc1noc([C@@H](OC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c2ccccc2)n1 790828819 JJHQVZPZWCPSIS-INIZCTEOSA-N 432.230 4.304 5 20 IIBD Cc1c(Cl)cccc1N1CCCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)CC1 791095296 OLIDYTZOIXWYNE-UHFFFAOYSA-N 446.891 4.434 5 20 IIBD COc1ccc([C@@H]2CCCN2C(=O)COc2cc(F)c([N+](=O)[O-])cc2Cl)cc1OC 795262122 SGTKXHFSKKNKPI-HNNXBMFYSA-N 438.839 4.147 5 20 IIBD CCn1nc(C)c(CC(=O)O[C@@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])c1C 797062275 NTNKGVFNACJSED-SFHVURJKSA-N 438.322 4.165 5 20 IIBD COc1cc([N+](=O)[O-])ccc1COC(=O)c1cnc(-c2ccc(OC)c(OC)c2)s1 797477162 FJZLFHCMMUNCNS-UHFFFAOYSA-N 430.438 4.101 5 20 IIBD Cc1c(C(=O)N2CCC[C@H](Cn3cnc4ccccc43)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 797752055 HDTFEPKOVYUYKC-INIZCTEOSA-N 437.456 4.022 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1OCCC(F)(F)F 799932786 WFNMIDBZMVCDTM-UHFFFAOYSA-N 440.346 4.313 5 20 IIBD COc1ccc(CN(CC2CCC2)C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c(OC)c1 801043655 VYFMKHKIGIJHJI-UHFFFAOYSA-N 443.456 4.271 5 20 IIBD CCCCNC(=O)OC[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 804230679 WWFBEHQXKCDPMV-OAHLLOKOSA-N 431.411 4.135 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 813243875 CTUYKIQULHQLOA-CQSZACIVSA-N 448.932 4.139 5 20 IIBD Cc1cc(NC(=O)CSc2ccccc2[N+](=O)[O-])c(C(=O)NCC(F)(F)F)cc1F 813290071 QVIHDOPUWUFGNJ-UHFFFAOYSA-N 445.394 4.065 5 20 IIBD C[C@@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccc(N2CCCOC2=O)cc1 814350263 OQKIMXVAWAXSNA-GFCCVEGCSA-N 448.273 4.195 5 20 IIBD C[C@H](Cc1cnc2ccccc2n1)C(=O)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 816005494 ONCHOJRQOUXFRN-MWTRTKDXSA-N 428.448 4.444 5 20 IIBD CSc1ccc(C(=O)O[C@H](C(=O)N2CCc3ccccc3C2)C(C)C)cc1[N+](=O)[O-] 876685177 MQSSGWPSURXWOL-FQEVSTJZSA-N 428.510 4.083 5 20 IIBD COc1cc(C(=O)OCc2ccc(Br)s2)c([N+](=O)[O-])cc1OC(F)F 914525586 FOQROJUEZQFXFU-UHFFFAOYSA-N 438.202 4.386 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(C1CC1)[C@H](C)c1ccc(Cl)cc1 915664132 ZSHJXVRVHDPNLP-CYBMUJFWSA-N 432.860 4.200 5 20 IIBD Cc1ccc(Sc2ccc(/C=C\c3nc(O)nc(O)c3[N+](=O)[O-])cc2[N+](=O)[O-])cc1 916662964 VHHNVVILOYBDSP-YWEYNIOJSA-N 426.410 4.334 5 20 IIBD O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C/c1cc(Br)c(Br)o1 916664228 QVVMFARHBWDTAN-IZZDOVSWSA-N 442.019 4.057 5 20 IIBD Cc1ccc(-n2cnnc2SCC(=O)OCc2cc(F)ccc2[N+](=O)[O-])cc1Cl 918934299 JOOWMDRVCJQIFV-UHFFFAOYSA-N 436.852 4.112 5 20 IIBD CSc1ccc(C(=O)NCc2ccccc2CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] 1251451647 JXWRYFGRBYHWBZ-UHFFFAOYSA-N 431.514 4.271 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(CCCS(=O)(=O)c2ccc(Cl)cc2)n1 1329661717 VZJWINWMERFTNA-UHFFFAOYSA-N 435.889 4.322 5 20 IIBD Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(O)c([N+](=O)[O-])c4)cc3)CCC2)n1 1790619124 UHTYEOQLWBONOX-UHFFFAOYSA-N 446.463 4.065 5 20 IIBD Cc1cccc(Cl)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cccc([N+](=O)[O-])c1 1792477317 TURSNLLKNYHAMJ-BCDXTJNWSA-N 441.915 4.051 5 20 IIBD CC(C)C1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CCC1 1793081006 NCRPVQIKYZGDQQ-REPLKXPHSA-N 447.963 4.255 5 20 IIBD Cc1cccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2cccc([N+](=O)[O-])c2)c1 1793938544 CZGUTGGNGDSDQT-NUNAXRQHSA-N 449.551 4.107 5 20 IIBD Cc1ccsc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CSc1ccccc1[N+](=O)[O-])C2 1794976207 SDGJOQFMVYGOKX-MUJYYYPQSA-N 445.566 4.009 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21)c1ccc([N+](=O)[O-])o1 1797868244 OBFYSPRLQIQYNM-UIFYRBHJSA-N 429.517 4.046 5 20 IIBD CC1(C(=O)N2CCCC3(CCN(C(=O)Cc4ccc(Cl)cc4[N+](=O)[O-])CC3)C2)CCC1 1804787931 YPFAWWGDMYCPHK-UHFFFAOYSA-N 447.963 4.212 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)[nH]n1)c1ccc([N+](=O)[O-])o1 1814312905 SPWYRFXJBDBBTE-DLTWYDFYSA-N 441.488 4.043 5 20 IIBD CCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)n[nH]1 1823286582 BHUDRCLCRQJMJJ-MRXNPFEDSA-N 443.504 4.069 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1sccc1F 1847922663 UUPBFFMRTBYHCB-GJZGRUSLSA-N 445.497 4.139 5 20 IIBD Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 10210152 VJCNSUNAVWOAQZ-UHFFFAOYSA-N 425.485 4.243 5 20 IIBD Cc1cc(C)cc(OCC(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 10588900 VWPDACJFFAHOKU-ZDUSSCGKSA-N 440.374 4.180 5 20 IIBD CCOc1ccc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)c([N+](=O)[O-])c1 11348137 QCYHDSASTYNAPQ-UHFFFAOYSA-N 439.453 4.256 5 20 IIBD CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)CC(=O)Nc1ccccc1[N+](=O)[O-] 21920241 MRBJQOVVURAKAJ-UHFFFAOYSA-N 439.299 4.191 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(OCc2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 21998701 IORQBMQYPHEEHD-UHFFFAOYSA-N 432.420 4.223 5 20 IIBD CCOc1c(Cl)cc(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC 22157662 ZKBKKFQPJSPOFF-GFCCVEGCSA-N 436.848 4.148 5 20 IIBD Cc1c(NC(=O)c2cccc(S(=O)(=O)N[C@H](C)c3ccccc3)c2)cccc1[N+](=O)[O-] 24061559 NIYVBBHHQJHRAP-MRXNPFEDSA-N 439.493 4.195 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C 25818854 KMKZJURFSPSCQM-UHFFFAOYSA-N 444.465 4.410 5 20 IIBD O=C(CSc1nc2cc([N+](=O)[O-])ccc2n1-c1cccc(C(F)(F)F)c1)N1CCC1 31707687 YKHYPWOAJXZDSV-UHFFFAOYSA-N 436.415 4.277 5 20 IIBD COc1cc(C(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c([N+](=O)[O-])cc1OC 60801546 VECVWTZBIKVFOC-UHFFFAOYSA-N 425.416 4.162 5 20 IIBD C[C@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(OC(F)(F)F)cc1 64858852 HBZHBWUFIXTQNZ-LBPRGKRZSA-N 434.374 4.385 5 20 IIBD Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 64974560 DYUCJFLKBKQILG-UHFFFAOYSA-N 438.528 4.144 5 20 IIBD C[C@@H](CN(C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C1CC1)C(=O)O 237470869 DVDVZLWVTYQQFQ-ZDUSSCGKSA-N 431.876 4.186 5 20 IIBD COc1ccc(-n2c(Sc3ccc([N+](=O)[O-])cc3Cl)nnc2-c2cnccn2)cc1 301717196 NXSYTVKAWPLJHB-UHFFFAOYSA-N 440.872 4.446 5 20 IIBD CCc1nn(C)c(N2CCc3c(cccc3NC(=O)Nc3ccc(C)cc3)C2)c1[N+](=O)[O-] 301928035 IMBFVYQJVOFOCW-UHFFFAOYSA-N 434.500 4.406 5 20 IIBD O=C(CCN1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1)Nc1ccccc1[N+](=O)[O-] 303330409 UCLYUESACLUEFL-SFHVURJKSA-N 442.274 4.443 5 20 IIBD COc1cc(C(=O)NC[C@@H]2CCN(C3CC3)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 303420960 YKVBDODHLYRWSY-AWEZNQCLSA-N 445.903 4.263 5 20 IIBD COC(=O)C[C@@H](NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)c1ccc(OC(F)(F)F)cc1 409677075 CDZGFXUSDZDDJX-OAHLLOKOSA-N 441.362 4.228 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nnc(-c2ccc(Br)cc2)o1 410225946 BIUSQMDGJLLCTJ-UHFFFAOYSA-N 449.286 4.447 5 20 IIBD COc1cc(OC)c(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1Br 428111643 PRQRFQBGNWRGLJ-UHFFFAOYSA-N 438.278 4.205 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(F)c(F)cc2Br)cc1OC 435259169 WFGDTWRVLKRRQU-UHFFFAOYSA-N 431.189 4.295 5 20 IIBD CCn1ccnc1[C@H]1CCCCN1C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 435990461 GSXFNMYQJMLVEZ-HXUWFJFHSA-N 436.516 4.040 5 20 IIBD C[C@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 436155181 RXOKYOIBZUSFIE-GASCZTMLSA-N 441.522 4.446 5 20 IIBD CO[C@H](C)C(=O)Nc1cccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1 436315555 GZIORSAPZNBVIK-CYBMUJFWSA-N 433.439 4.046 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@H](O)COc1cccc(Cl)c1Cl 436316120 WBQXBSGSXRQDAK-QMMMGPOBSA-N 426.178 4.167 5 20 IIBD Cc1cc(Br)cc(C)c1NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 437043488 ZVRNXGOMRUQWPI-UHFFFAOYSA-N 446.301 4.104 5 20 IIBD Cc1ccc(NC(=O)NCc2noc(-c3cccc(Br)c3)n2)cc1[N+](=O)[O-] 439027168 NJMNMURCPOUDSD-UHFFFAOYSA-N 432.234 4.037 5 20 IIBD O=C(NCCn1c(O)nc2ccccc21)c1ccccc1Sc1ccccc1[N+](=O)[O-] 441063969 PFCQVZFMNSIOIR-UHFFFAOYSA-N 434.477 4.231 5 20 IIBD CCN(CC)[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)CC(C)C 444008411 IKELDVIQIIHCLR-KRWDZBQOSA-N 429.511 4.446 5 20 IIBD CO[C@@H](C)c1nc(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cs1 444220782 CISIJAFQDYUFFP-JTQLQIEISA-N 429.448 4.053 5 20 IIBD CCS[C@@H](C)c1noc(CN(C)C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)n1 444244515 IFHPLBAJUMEIQW-LBPRGKRZSA-N 440.500 4.290 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(C3=NN(c4ccccc4)[C@@H](c4ccccc4)C3)n2)n1C 445620909 MRWUAZSRVZDLFG-GOSISDBHSA-N 429.440 4.042 5 20 IIBD COc1ccc([C@H]2CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2Br)c(OC)c1 445713876 KPTFIZQYAJNJOO-GOSISDBHSA-N 449.301 4.281 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1cccc(C(=O)N2CCCCC2)c1 445995174 YKERZDDEWXVEEM-UHFFFAOYSA-N 446.301 4.165 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)cc1[N+](=O)[O-] 446045605 RBRNHOHXTDWXEX-LBPRGKRZSA-N 444.900 4.496 5 20 IIBD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)n1 447527309 GFFMRCVWMMQLNN-BMGDILEWSA-N 439.438 4.042 5 20 IIBD COc1ccccc1[C@@H](CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])N(C)C 447676655 RGWBOWSLAGQIFD-CYBMUJFWSA-N 434.365 4.367 5 20 IIBD O=C(Cc1ccc(F)c(Br)c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 460353451 PVEQONMSQOYCLR-QGZVFWFLSA-N 425.279 4.313 5 20 IIBD O=[N+]([O-])c1ccccc1CN(c1nnc([C@@H]2CCOC2)n1CCc1ccccc1)C1CC1 460417747 BHJJTQZPTMTKFQ-HXUWFJFHSA-N 433.512 4.102 5 20 IIBD C[C@@H]1N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2ccccc2)CCC12CCOCC2 460439482 YQOWCMARXAEYBS-IBGZPJMESA-N 447.539 4.491 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1CNc1ccc(NC(=O)CN2CCCCCC2)cc1 462370807 UCSWZJRWRJCSAX-UHFFFAOYSA-N 426.517 4.420 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@H](COCc2ccccc2)C1 462713484 DDHLUWRIROBGOE-AWEZNQCLSA-N 445.324 4.129 5 20 IIBD COc1ccc([N+](=O)[O-])c(N(C)Cc2cccc(NS(=O)(=O)c3ccccc3)c2)c1 462821519 ZJRWOHXXURJVBH-UHFFFAOYSA-N 427.482 4.041 5 20 IIBD CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 464943405 TXUOBTCJZZPBSM-UHFFFAOYSA-N 440.544 4.295 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N(Cc1c(F)cccc1F)C1CCCC1 465131078 XBHPJUQBLKMKFS-UHFFFAOYSA-N 432.423 4.158 5 20 IIBD O=C(N[C@@H]1CCOc2c(Cl)cccc21)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465766804 XWAACTFSWSQGJH-LJQANCHMSA-N 431.876 4.325 5 20 IIBD CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 466438777 PTQHPRJHLAXXLK-CHWSQXEVSA-N 435.933 4.432 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])c1cc(COc2c(Cl)cccc2Cl)on1 467344439 BZJZGJULIUSPIF-UHFFFAOYSA-N 436.251 4.441 5 20 IIBD CC(C)(C)[C@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1F 468596597 BVGOXIFSDWBEHI-MRXNPFEDSA-N 425.819 4.369 5 20 IIBD COc1ccc(-c2ncc(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])s2)cc1OC 469766878 XYJZHRHMURCDRF-UHFFFAOYSA-N 447.900 4.361 5 20 IIBD CC(C)[C@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ncc[nH]1 473286040 AZWGVPVRKLXHRC-QFIPXVFZSA-N 444.495 4.227 5 20 IIBD CSc1nnc(CCCNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)n1C1CCCC1 475558358 FOCOEWNVHOATRR-UHFFFAOYSA-N 432.550 4.394 5 20 IIBD Cc1ccc(S(=O)(=O)C[C@@H](C)Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)cc1 475737911 NGYAPMTZIVDJRT-QGZVFWFLSA-N 441.509 4.152 5 20 IIBD O=C(NCC(=O)N1Cc2ccccc2C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 477517419 XSALGTWMIDFXEB-UHFFFAOYSA-N 433.489 4.018 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F 478456921 SLBSHNOMRJYONT-HNNXBMFYSA-N 447.207 4.148 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)ccc1[N+](=O)[O-] 478536629 KLXRSTAAQJLNPZ-CUWPLCDZSA-N 441.915 4.224 5 20 IIBD CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 479680438 XOIPBUYJWWYCME-BTYIYWSLSA-N 431.920 4.357 5 20 IIBD Cc1c(CNC(=O)N[C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)cccc1[N+](=O)[O-] 479749801 QUIPTOJSMAXTJR-VGOFRKELSA-N 427.501 4.028 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2c(F)cccc2F)C2CC2)c(C(F)(F)F)c1 480894391 FVFLZJOGOMTHJM-UHFFFAOYSA-N 436.358 4.245 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)c2ccccc2)CC1 481594944 ITUZOCQAHJYMQV-UHFFFAOYSA-N 428.510 4.068 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N(C)C[C@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] 484438140 MIEIWUIYDLGCOK-UZLBHIALSA-N 442.537 4.171 5 20 IIBD CCc1c(NC(=O)NCc2cc([N+](=O)[O-])ccc2OC)cnn1-c1ccccc1Cl 485322197 LUSOKFKSZUGADB-UHFFFAOYSA-N 429.864 4.327 5 20 IIBD CN(Cc1ccccc1)CC(C)(C)NC(=O)c1sc(Br)cc1[N+](=O)[O-] 486426766 VWFPWLPOJBSGPH-UHFFFAOYSA-N 426.336 4.059 5 20 IIBD COc1ccc(CCNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c(OC)c1 486524949 GDIYSXZMVJBTAH-UHFFFAOYSA-N 436.464 4.164 5 20 IIBD Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 486734635 NNTSVHRJMCMKDV-ZIAGYGMSSA-N 439.468 4.002 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)c([N+](=O)[O-])c1 487412965 NGVPCPLOJDPJRR-QGZVFWFLSA-N 442.541 4.402 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N(CCO)Cc1ccc(Cl)c(Cl)c1 490677596 YNTJHRIINBZSPQ-UHFFFAOYSA-N 435.210 4.138 5 20 IIBD COc1cc(C)c([C@H](C)NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1OC 494672339 YXIGKYHRVOAAHX-LBPRGKRZSA-N 441.406 4.500 5 20 IIBD COc1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1Oc1ccc(C)nn1 498321566 IIUSSGZFHBMMFN-UHFFFAOYSA-N 435.440 4.321 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 498992291 UIPFEZSGGLYWCH-LLVKDONJSA-N 436.312 4.306 5 20 IIBD Cn1ccnc1Sc1ccccc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 499225021 ZOCVKYMEOUSSHM-UHFFFAOYSA-N 437.525 4.335 5 20 IIBD CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 499717523 AIEMTTSNORUJMF-UHFFFAOYSA-N 426.860 4.287 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@H](COCc1ccccc1)c1ccccc1 500943035 HAROKSHWFVAVBY-JOCHJYFZSA-N 440.521 4.015 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3)cc1 501040459 ZYKFYYFXBPUIGC-CQSZACIVSA-N 447.447 4.381 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)Nc1ccc(-c2ncco2)cc1)c1ccccc1[N+](=O)[O-] 501373397 VMDMUOFKYIPKEN-SFHVURJKSA-N 438.440 4.454 5 20 IIBD COc1ccc(F)cc1[C@H](C)NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 501696105 SIGVUSKXQHTLTJ-ZDUSSCGKSA-N 426.448 4.095 5 20 IIBD O=C(NCC(=O)N1CCCC[C@H]1CCCc1ccccc1)c1c(Cl)cccc1[N+](=O)[O-] 502411969 BAQDLIBFKLJEKX-SFHVURJKSA-N 443.931 4.382 5 20 IIBD CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CCN(C(=O)CCc2ccccc2)C1 504912554 XLSIFNZILZOYAK-UXHICEINSA-N 427.570 4.289 5 20 IIBD CCCN(Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 506772254 NJKJVACCMONDNV-INIZCTEOSA-N 438.933 4.440 5 20 IIBD Cc1[nH]nc(C(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)c1[N+](=O)[O-] 508487136 GFBHADAZGFYLGL-UHFFFAOYSA-N 433.346 4.150 5 20 IIBD CCCN(C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])[C@H]1CCCN(Cc2ccccc2)C1 509180033 CMDRIUKRKAXLGI-IBGZPJMESA-N 441.528 4.129 5 20 IIBD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)ccc21 509836619 GIUYWYUVMLTNEK-MRXNPFEDSA-N 437.500 4.301 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)c1cc(F)ccc1F 509914173 UETNINZPSCYIBO-UHFFFAOYSA-N 432.164 4.063 5 20 IIBD O=C(NCCNc1ncc(Cl)cc1Cl)Nc1cc([N+](=O)[O-])ccc1OC(F)F 510818914 ZUNNMZJGQXIAMZ-UHFFFAOYSA-N 436.202 4.132 5 20 IIBD Cn1cc(C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 511378033 LZBPDTKMDPLUSL-SFHVURJKSA-N 436.468 4.196 5 20 IIBD CO[C@H](C)CN(C)[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 513258490 WXRPJGFCARRGRR-QRWLVFNGSA-N 440.525 4.365 5 20 IIBD CCN(C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C(c1ccccc1)c1ccccc1 513834764 ZTBJMQJXJGEZOE-UHFFFAOYSA-N 438.505 4.250 5 20 IIBD CCOc1cc(C(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)c([N+](=O)[O-])cc1OC 520347430 FEASAROPINQRHS-UKRRQHHQSA-N 435.274 4.051 5 20 IIBD COC(=O)[C@H](C)CNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 522437806 TZAQLYLAKQSHIZ-VQCBNXJZSA-N 439.493 4.061 5 20 IIBD Cc1ncc(-c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)o1 522480259 MSCAOCKOHUPRBD-FQEVSTJZSA-N 434.452 4.110 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCCc1ccc(Br)cc1 522676316 VEUDYVMWXXGRBQ-UHFFFAOYSA-N 427.682 4.139 5 20 IIBD Cc1ccc(C(=O)Nc2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])n4C)cc3s2)s1 523277184 TXJBJKUQTJTMDT-UHFFFAOYSA-N 441.494 4.418 5 20 IIBD Cc1nn(CCC(=O)Nc2ccc(OCc3cccnc3)c(Cl)c2)c(C)c1[N+](=O)[O-] 530615045 OBEZGYTVNSLYDG-UHFFFAOYSA-N 429.864 4.064 5 20 IIBD CC[C@H](C)C(=O)Nc1cccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1 531505819 CVAGYPSTPLFOLO-ZDUSSCGKSA-N 448.317 4.201 5 20 IIBD CCOc1cc(CNc2cccnc2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 531802689 WMBRNWOKXBTQLZ-UHFFFAOYSA-N 437.452 4.446 5 20 IIBD CCOc1ccc(Cl)cc1CCNC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] 535221804 UIRGPMXEAAOTRZ-UHFFFAOYSA-N 444.818 4.229 5 20 IIBD C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 535461057 VQSHLUQIWLNWBK-HOTGVXAUSA-N 434.496 4.375 5 20 IIBD Cc1ccc(C)c(-n2ccnc2S(=O)(=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1 535507685 RLDMMVHQVMJTIY-UHFFFAOYSA-N 438.465 4.026 5 20 IIBD O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 537022402 KCBQLRDEZTXAGM-LJQANCHMSA-N 432.436 4.027 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(F)c(Br)c(F)c2)cc1OC 539356386 AUZHOYRNXRXTPL-UHFFFAOYSA-N 431.189 4.295 5 20 IIBD O=C(N[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 539696162 BZWLAGNEMABINA-IRXDYDNUSA-N 445.401 4.260 5 20 IIBD O=C(NCCCc1nc(-c2ccc(F)cc2)no1)c1cc2cc([N+](=O)[O-])ccc2s1 543130798 SRMWWFNHZAASLE-UHFFFAOYSA-N 426.429 4.361 5 20 IIBD Cc1ccc(C(=O)N2CCC(Nc3ncc([N+](=O)[O-])c(C)c3Br)CC2)cc1 543436925 CRRHHFGQWYXOSZ-UHFFFAOYSA-N 433.306 4.086 5 20 IIBD C[C@H](C(=O)N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1)c1ccc([N+](=O)[O-])cc1F 543489085 NFSKOBNLGALHFK-UUOWRZLLSA-N 425.504 4.352 5 20 IIBD Cn1cnnc1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 543539614 FLFSBLKZHPALKU-MRXNPFEDSA-N 429.546 4.025 5 20 IIBD C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OCc2ccccc2)cc1 543599004 KRIVOCXANCEZLS-GOSISDBHSA-N 440.521 4.298 5 20 IIBD O=c1oc2cc([N+](=O)[O-])ccc2n1CCCc1nc(-c2ccccc2C(F)(F)F)no1 545527107 BUEIWLYBRCGSLC-UHFFFAOYSA-N 434.330 4.204 5 20 IIBD Cc1cccc([C@H]2CCCCCN2C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 546045985 LNPLEIYZIPFYGI-OAQYLSRUSA-N 445.541 4.004 5 20 IIBD COc1ccc(COc2ccc(-c3noc(-c4n[nH]c5ccc([N+](=O)[O-])cc45)n3)cn2)cc1 546360759 MOJVJZUVKYDALO-UHFFFAOYSA-N 444.407 4.171 5 20 IIBD Cc1ccc(CN[C@@H](c2ccc([N+](=O)[O-])cc2)c2nccn2C)c(OCC(F)(F)F)c1 552048075 GJCSMDAPYNHOAF-IBGZPJMESA-N 434.418 4.457 5 20 IIBD O=C(N[C@@H]1CCN(c2ncccc2F)C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 559744529 WQVZEOWMQKYWAW-OAHLLOKOSA-N 438.484 4.289 5 20 IIBD COc1cc(C(=O)N2CC(C3CCCCC3)C2)c([N+](=O)[O-])cc1OCc1cscn1 569495926 UCYUEGMIBJWDMA-UHFFFAOYSA-N 431.514 4.291 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(-c3ccc(-n4ncc5ccccc54)cc3Cl)n2)n1C 572762414 LKYCXYXMFWWVKF-UHFFFAOYSA-N 435.831 4.346 5 20 IIBD Cc1ccc(Sc2ccc(CN3CCOC[C@@H]3[C@@H]3CCC[C@H]3O)cc2[N+](=O)[O-])cc1 575034874 GMJBZAVUHLLMFC-KSEOMHKRSA-N 428.554 4.416 5 20 IIBD Cc1ccc(-c2ccc(C)c(NC(=O)C(=O)NCCc3c[nH]c4ccc([N+](=O)[O-])cc34)c2)o1 577419968 OIGZJZRHTJYCCR-UHFFFAOYSA-N 446.463 4.250 5 20 IIBD NC(=O)c1ccnc(N[C@@H](c2ccccc2)c2ccc(Br)cc2)c1[N+](=O)[O-] 579063220 ZVAVRSFFAAVHRY-INIZCTEOSA-N 427.258 4.053 5 20 IIBD O=c1oc2cc([N+](=O)[O-])ccc2n1CCCc1nc(Cc2cc(Cl)ccc2Cl)no1 579538691 RHZJJTRAOCJVBX-UHFFFAOYSA-N 449.250 4.416 5 20 IIBD CC(=O)c1cc(N2CCN([C@@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)ccc1[N+](=O)[O-] 580705548 AMPRKPJJTVWKCG-INIZCTEOSA-N 435.484 4.039 5 20 IIBD CC(=O)c1ccc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 602269627 UPEINJGMVIYZLW-UHFFFAOYSA-N 436.390 4.170 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCc3ccc(C)nc3)c([N+](=O)[O-])c2)c(C)c1 603863505 GIHIUFVHSDUAAT-UHFFFAOYSA-N 426.498 4.328 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 604043342 KLVRGVLRUJMQLD-UHFFFAOYSA-N 431.297 4.264 5 20 IIBD O=C(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)N(CCc1ccccc1)Cc1ccccc1 608869833 RDCDAXUHNCVPAR-UHFFFAOYSA-N 441.491 4.125 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1cccc(OCC(F)(F)F)c1C 609041971 PVZAPTAMPUGTSO-LBPRGKRZSA-N 427.379 4.292 5 20 IIBD COc1ccc(NC(=O)c2ccc(I)cc2Cl)c([N+](=O)[O-])c1 609054888 PRXFCPRWGDOYQA-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD COc1ccc(CSCC(=O)N2CCCc3c(Cl)ccc(OC)c32)cc1[N+](=O)[O-] 609065284 POGMDSOORYRLKO-UHFFFAOYSA-N 436.917 4.478 5 20 IIBD Cc1cc(Oc2ccccc2)ccc1NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 609445716 ZRDYZCZYUJUMSH-UHFFFAOYSA-N 433.420 4.060 5 20 IIBD O=C(Nc1n[nH]c(-c2cccc3ccccc23)n1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609547845 KAPWJSSDAMUKNJ-UHFFFAOYSA-N 426.392 4.039 5 20 IIBD O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 609654157 NMZGYEAFDJIWIL-YTTGMZPUSA-N 446.488 4.341 5 20 IIBD CCc1cccc(C)c1NC(=O)CSCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 609770741 NCIGKKVGFFRGFZ-UHFFFAOYSA-N 429.498 4.136 5 20 IIBD CCOC(=O)c1ccnc(NCc2ccc(OCc3cccc(F)c3)cc2)c1[N+](=O)[O-] 609961299 JWLQJVMGCFXOJY-UHFFFAOYSA-N 425.416 4.497 5 20 IIBD O=C1CCCC[C@@H]1[C@H]1CCCCCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 610886524 NYNDDGNLLBBDHR-WOJBJXKFSA-N 427.545 4.342 5 20 IIBD O=C(NCC1CC1)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 611200827 VWTFRIHUUIYGTP-INIZCTEOSA-N 431.558 4.008 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H](Cn2cnc3ccccc32)C1 619544578 PWFMCBREBNJXDL-CQSZACIVSA-N 443.301 4.259 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NCc1cccnc1Oc1cccc(F)c1 725822714 KDZZGQRAVLUGCZ-UHFFFAOYSA-N 437.836 4.053 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 727394435 QQBOYCHAYPMMQL-FQEVSTJZSA-N 433.867 4.201 5 20 IIBD CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1 728257479 FCAUEVGBLGRCQG-UHFFFAOYSA-N 441.440 4.497 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCC(N(C)C)CC3)c(F)c2)c1 728258098 XZAKQYYFCIUNQG-UHFFFAOYSA-N 432.521 4.239 5 20 IIBD C[C@H](C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccccc1F 731393396 DVGQHGHSUYHNTC-WDEREUQCSA-N 428.338 4.427 5 20 IIBD CCc1nc([C@H]2NC(=O)N(CC3CC3)C(C)=C2C(=O)Nc2cccc([N+](=O)[O-])c2)cs1 731430063 LIHAQZWTTJYIGB-LJQANCHMSA-N 441.513 4.003 5 20 IIBD O=C(Cc1ccc(Cl)cc1Br)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 733215450 RWCWLRSQCDARJJ-UHFFFAOYSA-N 441.665 4.353 5 20 IIBD O=C(COC(=O)c1cccc(COc2cccc(F)c2)c1)Nc1ccc(F)c([N+](=O)[O-])c1 734050203 BKKXKHINVJFFMF-UHFFFAOYSA-N 442.374 4.248 5 20 IIBD O=C(Nc1cccc(OC(=O)c2cc([N+](=O)[O-])ccc2Br)c1)c1ccco1 734329552 ZDKUIWFXUFGULP-UHFFFAOYSA-N 431.198 4.422 5 20 IIBD O=C(COC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(C(F)(F)F)cc1 735007170 IQFAVUZPIRBVIV-UHFFFAOYSA-N 446.765 4.218 5 20 IIBD O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCN(c2nc3ccccc3o2)CC1 735442339 IRCLRAUYPSEHGA-UHFFFAOYSA-N 448.435 4.351 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl 735468141 HYFUKNSOBZEKGD-CXAGYDPISA-N 425.913 4.085 5 20 IIBD C[C@H](CC(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1cccc(C(F)(F)F)c1 738744286 QQPVDGUIGWATQJ-LLVKDONJSA-N 428.338 4.428 5 20 IIBD C[C@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 740480230 QJVAWHVIUAIXSP-HKUYNNGSSA-N 448.564 4.252 5 20 IIBD O=C(OCCOC1CCCCCC1)c1cc([N+](=O)[O-])ccc1I 740955366 KNHVEKGPXFPCGX-UHFFFAOYSA-N 433.242 4.096 5 20 IIBD C[C@@H](OC(=O)c1ccc2ncccc2c1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 743217504 KSKIVFIBRHBUQA-CYBMUJFWSA-N 448.460 4.451 5 20 IIBD O=C(OCc1cc(F)ccc1[N+](=O)[O-])[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 744362267 HDSFFFSCSREHNE-SFHVURJKSA-N 443.258 4.157 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)OCc2ncc(-c3ccc(Br)cc3)o2)c1 744866762 PAPGMJKXUWWODD-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)cc1 745776223 UHMITNRWRKAJTQ-NRFANRHFSA-N 442.418 4.361 5 20 IIBD CCOC(=O)N1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 748231373 NMUCRWXWVFTIID-UHFFFAOYSA-N 429.498 4.050 5 20 IIBD CCC[C@@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])C(=O)Nc1cccc(N2CCCC2)c1 750185785 CIJYZZZTYQZSEE-LJQANCHMSA-N 444.919 4.386 5 20 IIBD O=C(OCCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@@H](c1ccccc1)n1cccn1 750667888 HVHDWWORUYXUJN-GOSISDBHSA-N 435.358 4.022 5 20 IIBD C[C@@H](Cc1ccccc1Cl)NC(=O)c1ccc([N+](=O)[O-])cc1I 751086158 FIFTZPFYHUXHNI-JTQLQIEISA-N 444.656 4.214 5 20 IIBD O=C(NC1CCCCC1)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 751272822 YOPGMPREPNOADU-UHFFFAOYSA-N 437.905 4.112 5 20 IIBD Cc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1N1CCOC1=O 755021647 PCSGDMXNEXJANE-UHFFFAOYSA-N 438.209 4.014 5 20 IIBD C[C@H](C(=O)OCc1csc(-c2ccc3c(c2)OCO3)n1)c1ccc([N+](=O)[O-])cc1F 755059492 BJIZMPOPZWPXIL-NSHDSACASA-N 430.413 4.433 5 20 IIBD O=C(NCc1cn(-c2ccccc2)nn1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 755816900 LQFXZLUJRGPZSX-UHFFFAOYSA-N 430.424 4.290 5 20 IIBD COc1cc(CNc2ccccc2[C@H](O)C(F)(F)F)c([N+](=O)[O-])cc1OCC(F)F 758110341 VZIHTJKQZRYBMR-KRWDZBQOSA-N 436.333 4.455 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1F 760343418 VBGVHNFWLIWRKW-CYBMUJFWSA-N 449.504 4.024 5 20 IIBD CCOC(=O)CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cc(Cl)cc(Cl)c1 760636095 SNRPPIADTCDGJV-UHFFFAOYSA-N 442.211 4.020 5 20 IIBD CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])c2nsnc2c1 762969050 QMYWNFKXHJUODQ-VXGBXAGGSA-N 428.470 4.297 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1ncc(-c2ccccc2F)o1 763812818 XRVNXPKYKIUKGL-UHFFFAOYSA-N 432.429 4.484 5 20 IIBD O=C(NCC[S@@](=O)Cc1ccccc1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 767983024 OYLZZZSUXLHTNN-SSEXGKCCSA-N 440.546 4.425 5 20 IIBD COc1cccc(NC(=O)[C@H](OC(=O)c2cccc(OC)c2[N+](=O)[O-])c2ccccc2)c1 769603332 PBAVGBLTAPHHGE-OAQYLSRUSA-N 436.420 4.149 5 20 IIBD Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)OC(=O)c1cc(Br)cc([N+](=O)[O-])c1 770157429 OGFFWIITORZRJM-OLZOCXBDSA-N 435.274 4.088 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1OC[C@H](O)c1ccc(F)c(Br)c1 774646323 NPNBVNQCNMDDAG-ZDUSSCGKSA-N 435.043 4.371 5 20 IIBD CC(C)(C)OC(=O)N(CC1CC1)C1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 774906733 CXRFAFHFQZBPTG-UHFFFAOYSA-N 434.493 4.115 5 20 IIBD C[C@H](OC(=O)c1ccc(-c2csc(N)n2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 775884531 LQQKPTYWZGYLFA-JTQLQIEISA-N 446.872 4.138 5 20 IIBD O=C(COC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1Cc1ccccc1 778169154 HWLKFECAGNXCFL-UHFFFAOYSA-N 440.402 4.459 5 20 IIBD C[C@H](OC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C(=O)Nc1ccccc1-c1ccccc1 778899014 LXWUNJLXLRFOCH-AWEZNQCLSA-N 434.404 4.175 5 20 IIBD O=C(N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 779099381 JHFCVDUGYKZSMR-ZDUSSCGKSA-N 435.261 4.138 5 20 IIBD C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 780947785 KFDCPTWFYHDLHN-RDJZCZTQSA-N 435.524 4.199 5 20 IIBD Cc1cc(Sc2ncccn2)ccc1NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781641832 UDNHWYVJDQZJRP-UHFFFAOYSA-N 439.453 4.324 5 20 IIBD O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781648219 GTVXOYJJJQNCOK-HNNXBMFYSA-N 429.301 4.381 5 20 IIBD C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1Br)C(=O)Nc1ccc(F)cc1Cl 781673125 JGYLLAFIOFHEQC-MRVPVSSYSA-N 445.628 4.334 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 782413531 BNPWVSBMPJLAEF-HZPDHXFCSA-N 432.521 4.079 5 20 IIBD O=C(NCC1(c2c(F)cccc2F)CCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 783319912 WRYREOLXFMZPJP-UHFFFAOYSA-N 437.830 4.093 5 20 IIBD CC(C)(C)OC(=O)NCCOc1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 784131111 BAHMWQWCDUYDGC-UHFFFAOYSA-N 443.500 4.415 5 20 IIBD Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1 786931585 SANOAQMIEWIVKG-QFIPXVFZSA-N 430.464 4.407 5 20 IIBD O=C(O[C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1)c1cnc(-c2cccnc2)s1 787034278 VOPBBPPELIRFMZ-HNNXBMFYSA-N 428.445 4.078 5 20 IIBD Cc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790742443 RDSKFPGIXUVFBW-SNVBAGLBSA-N 429.231 4.462 5 20 IIBD COC(=O)c1c(Br)ccc(NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)c1C 791036552 VKGCWCSDMVFTJI-UHFFFAOYSA-N 425.210 4.152 5 20 IIBD COc1cc(C(=O)Oc2ccc3cccnc3c2)c([N+](=O)[O-])cc1OCc1cscn1 791855453 KPCFBTOMMRRPNJ-UHFFFAOYSA-N 437.433 4.406 5 20 IIBD CCOc1ccc([C@@H](C)NC(=O)COc2cc(F)c([N+](=O)[O-])cc2Cl)cc1OC 795247983 RTISIUXROVWKDZ-LLVKDONJSA-N 426.828 4.051 5 20 IIBD C[C@@H](OC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C(=O)Nc1c(F)c(F)c(F)c(F)c1F 796440622 FEKAXOWCUXRZHT-MRVPVSSYSA-N 446.328 4.138 5 20 IIBD Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)Oc1cnccc1-c1ccccc1 799819004 POBASICKJUBIFV-UHFFFAOYSA-N 449.282 4.495 5 20 IIBD CN(C(=O)COC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 801064173 SYIHVRCEMGAMLP-UHFFFAOYSA-N 441.267 4.267 5 20 IIBD O=C(CCc1cncc2ccccc12)Nc1ccc([N+](=O)[O-])c(I)c1 801699482 IVKUMJZFZFNBDE-UHFFFAOYSA-N 447.232 4.319 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1nc2cccc(Cl)c2[nH]1 802885625 LDHYCMRQELNFBW-UHFFFAOYSA-N 449.872 4.137 5 20 IIBD CC(C)(C(=O)OCc1cc(Cl)ccc1[N+](=O)[O-])S(=O)(=O)c1ccc(Cl)cc1 805704156 GAOKKQGVALBFQB-UHFFFAOYSA-N 432.281 4.197 5 20 IIBD O=C(NCc1ccncc1OCc1ccccc1)c1cccc([N+](=O)[O-])c1Br 807667784 FEVBPDIETYTZAK-UHFFFAOYSA-N 442.269 4.261 5 20 IIBD O=C(c1ccccc1)N(Cc1noc(-c2cc([N+](=O)[O-])ccc2N2CCCC2)n1)C1CC1 809417889 STBLDBPVBMEHQO-UHFFFAOYSA-N 433.468 4.050 5 20 IIBD Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)nn1C1CCCCC1 811718211 CLSXDSBUXJYIRB-UHFFFAOYSA-N 443.323 4.168 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(Cc1ccco1)Cc1cccs1 812105970 VUEHVFYBXOENFP-UHFFFAOYSA-N 439.497 4.361 5 20 IIBD CC(=O)N(c1ccc(Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])cc1)[C@H]1C[C@@H]1C 814944056 JPUCMGYVOXVROQ-XOBRGWDASA-N 433.468 4.064 5 20 IIBD CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] 814982323 WHZKKEPYNLVCPE-UHFFFAOYSA-N 426.775 4.227 5 20 IIBD C[C@@H](OC(=O)c1ccc(OC(F)F)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 815485207 QTMKVPBWZJSDPZ-MRVPVSSYSA-N 432.738 4.173 5 20 IIBD COc1ccc(CN(C)C(=O)[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(C)C)cc1 877120185 PGNKSJKKDWYEQY-LJQANCHMSA-N 434.876 4.097 5 20 IIBD CCOc1ccc(N2C(=O)/C(=C/Nc3ccc([N+](=O)[O-])cn3)c3ccccc3C2=O)cc1 912744499 BBKPKHXYRMYRHU-XSFVSMFZSA-N 430.420 4.029 5 20 IIBD COc1ccc2cc([C@]3(C)NC(=O)N(Cc4cc([N+](=O)[O-])ccc4Cl)C3=O)ccc2c1 915660459 VCDNYAUYTLOBBN-QFIPXVFZSA-N 439.855 4.377 5 20 IIBD O=[N+]([O-])c1ccc(Nc2ccccc2)c(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 918400263 YDLSPYUGFVKUIH-UHFFFAOYSA-N 432.389 4.187 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)CC1 1255406701 HGNVYGWFVLACCM-UHFFFAOYSA-N 447.532 4.074 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N2CC[C@H]3OCCC[C@H]3C2)cc1[N+](=O)[O-] 1319454364 IGUZKFKJPIJTOP-OXJNMPFZSA-N 440.521 4.189 5 20 IIBD Cc1cc(F)cc(C(=O)N2CCCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c1[N+](=O)[O-] 1320515585 IBMUHUXFTPWNHZ-UHFFFAOYSA-N 435.496 4.296 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2CNC(=O)OC(C)(C)C)c1 1322290273 CHAGNFRQJYTUCF-UHFFFAOYSA-N 431.514 4.271 5 20 IIBD O=[N+]([O-])c1ccc(F)cc1-c1nnc(-c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)o1 1322748244 XUHPNOFXRDMFFL-UHFFFAOYSA-N 443.398 4.153 5 20 IIBD C[C@H](C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1)c1ccc(O)cc1 1785749725 JRWAUAITUBAVGY-HNNXBMFYSA-N 449.463 4.445 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)NC1(c2ccc(NC(=O)c3ccc(F)nc3)cc2)CCC1 1789711842 XCXZTNMJDJISOM-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD C/C=C/C=C\C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c4c3OCO4)cc2)CCC1 1790096432 NJULBYVQAHNJTF-ZPYFUIHZSA-N 449.463 4.204 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC1CCCC1 1795419061 MRBKAVYJCQZLMK-REPLKXPHSA-N 445.585 4.296 5 20 IIBD Cc1cc(CCCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@]2(C)C[C@H]2C)c([N+](=O)[O-])cc1F 1799942776 MUAKOUUVIOXTSA-WGRDFSBBSA-N 445.535 4.049 5 20 IIBD CC(C)(C)CCCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1cc([N+](=O)[O-])ccc1F 1848058858 LOVWZQGLECRMRG-SFTDATJTSA-N 447.551 4.475 5 20 IIBD CCc1cccc(C)c1NC(=O)COC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 10210057 BGIPILGVSKELJJ-UHFFFAOYSA-N 439.512 4.497 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(SC(F)F)cc2)c([N+](=O)[O-])c1 10768253 KRXLAZAWWDFJMN-SNVBAGLBSA-N 426.397 4.102 5 20 IIBD CCOc1ccc(NC(=O)CSc2nnc(NCc3ccccc3)s2)c([N+](=O)[O-])c1 11410046 USZXPPHBMKTZGY-UHFFFAOYSA-N 445.526 4.188 5 20 IIBD O=C(CSc1nnc(NCc2ccco2)s1)Nc1ccc(Cl)cc1[N+](=O)[O-] 17982928 CGLSJZQKWRRIJY-UHFFFAOYSA-N 425.879 4.036 5 20 IIBD Cc1sc2ncn(CC(=O)Nc3cc([N+](=O)[O-])ccc3F)c(=O)c2c1-c1ccccc1 28612885 ZTCHLMPHHASKHL-UHFFFAOYSA-N 438.440 4.119 5 20 IIBD COc1ccc([C@@H]2CCCN2C(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)c(OC)c1 45932772 ATFSYHXVWNYXLH-SFHVURJKSA-N 446.525 4.218 5 20 IIBD C[C@H](NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)c1nncn1C 58318940 IVYLRBYRNRTBOP-HNDQUVLASA-N 448.508 4.141 5 20 IIBD O=C(CN1CCCCCC1)Nc1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1 58368819 CYTKUPFLKGEGDQ-UHFFFAOYSA-N 435.484 4.143 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 61223802 DTBIIAGDHAJHME-UHFFFAOYSA-N 426.450 4.283 5 20 IIBD CCOc1ccc(NC(=O)CNc2cc(C(F)(F)F)ccc2OCC)c([N+](=O)[O-])c1 63479463 HPVSTWZCSCHEQB-UHFFFAOYSA-N 427.379 4.462 5 20 IIBD COc1cc([C@H](C)NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)ccc1OC(C)C 64866242 GSSRKWHAWXPMGZ-HNNXBMFYSA-N 438.484 4.282 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1ccccc1Br 69056993 FFXJDOXCRXZAGJ-LLVKDONJSA-N 426.698 4.470 5 20 IIBD Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)C2)cc1 110438847 KIHYCXOUGMTXGJ-MRXNPFEDSA-N 435.484 4.058 5 20 IIBD CC(=O)c1csc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 253384441 OWRQSMWZWBNBTD-UHFFFAOYSA-N 442.419 4.128 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(Oc3nc4sccn4c3[N+](=O)[O-])cc2)s1 301078899 HGPBUIRSRSXDAH-UHFFFAOYSA-N 436.496 4.267 5 20 IIBD Cc1ccc(NC(=O)C2(CNc3cccc(S(C)(=O)=O)c3[N+](=O)[O-])CCCC2)cc1C 301880400 JYKGVUIRBIRCPU-UHFFFAOYSA-N 445.541 4.226 5 20 IIBD Cc1nc(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])oc1-c1ccc(Cl)cc1 302109337 YWNUTGLOEIXGPO-UHFFFAOYSA-N 427.891 4.289 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 302645811 MFNUQYXJZJQUFV-MRXNPFEDSA-N 449.287 4.022 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Br)c(F)c1 327528294 NOULQSFDXLENAL-UHFFFAOYSA-N 443.172 4.316 5 20 IIBD O=C(O)[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1cccc(OCc2ccccc2)c1 426741182 DJLFQGWITRNULE-DEOSSOPVSA-N 445.475 4.441 5 20 IIBD Cc1nc(C)n(Cc2cccc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)c2)n1 427127595 GJEQITPVHICWMD-UHFFFAOYSA-N 448.527 4.340 5 20 IIBD COc1ccc(OCCN(Cc2ccc(Cl)cc2)Cc2cnn(C)c2)c([N+](=O)[O-])c1 430267384 JOGOIICJOAGXIY-UHFFFAOYSA-N 430.892 4.072 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NC(C)(C)c3ccc(F)c(F)c3)cc2)c(C)c1[N+](=O)[O-] 430561113 JNERQNCBVOKBFR-UHFFFAOYSA-N 428.439 4.400 5 20 IIBD COc1cccc(NC2CCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])CC2)c1 431350713 PHYXZCZHYBYKHA-UHFFFAOYSA-N 434.290 4.083 5 20 IIBD O=C(Nc1nnc([C@H]2CCCc3ccccc32)s1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 432600450 ZBLCRJOJYDOJJI-KRWDZBQOSA-N 446.492 4.353 5 20 IIBD CCc1cc(=NC(=O)c2ccccc2S[C@H](C)C(=O)OC)c2cc([N+](=O)[O-])ccc2[nH]1 432992227 NJGNOYHUBCXEKU-CYBMUJFWSA-N 439.493 4.033 5 20 IIBD CCNC(=O)Nc1cccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])c1C 434048674 WWXGGJBZVFDKOP-UHFFFAOYSA-N 427.280 4.121 5 20 IIBD COc1ccccc1-c1csc(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)CC2)n1 436599019 BPOOXSHNRCHCLF-UHFFFAOYSA-N 439.493 4.452 5 20 IIBD Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)o1 437302301 IDBWPVABHKRGAN-KRWDZBQOSA-N 432.358 4.245 5 20 IIBD O=C(NC[C@@H]1CCCN1C1CCCCC1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 437845084 UKRBPCPRNZKQCM-KRWDZBQOSA-N 439.506 4.486 5 20 IIBD O=C(N[C@H]1CCN(c2ccccc2OC(F)F)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437981452 BWVZSHILNCCIET-INIZCTEOSA-N 446.454 4.149 5 20 IIBD O=C(N[C@H](CO)Cc1ccc(F)cc1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 442795910 FIGFUKOSIHFPHL-KRWDZBQOSA-N 426.469 4.219 5 20 IIBD O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCC(O)(Cc2cccc(F)c2)CC1 445215718 NDCWNFAGYJEQTK-UHFFFAOYSA-N 430.479 4.030 5 20 IIBD C[C@H]1CCCN(c2ccc(C(=O)N(CC(F)(F)F)[C@H]3CCCOC3)cc2[N+](=O)[O-])C1 446205445 IUNDNLGGDWCUFQ-HOCLYGCPSA-N 429.439 4.015 5 20 IIBD CCc1[nH]nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1-c1cccs1 446946751 TUWVIKKCNQYELN-UHFFFAOYSA-N 446.432 4.428 5 20 IIBD Cn1ccnc1CC1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 448255605 JKUIEUSJEXAKTP-UHFFFAOYSA-N 433.512 4.035 5 20 IIBD CCC(CC)c1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2I)on1 460328841 BBWKKISAOICFMU-UHFFFAOYSA-N 443.241 4.021 5 20 IIBD Cc1cc(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc(C)c1OCc1cccnc1 461410760 ZTSAERPKULTHDD-UHFFFAOYSA-N 433.464 4.220 5 20 IIBD COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)c(OC)n1 461469883 BSQQDFLYIJFRGP-UHFFFAOYSA-N 425.466 4.088 5 20 IIBD Cn1c(CCNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)nnc1-c1ccccc1 463453927 WLKHSIOMYXSBOG-UHFFFAOYSA-N 443.463 4.155 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCCC1 463473774 YNVYWUPNOSTAJN-GOSISDBHSA-N 437.418 4.189 5 20 IIBD CCN(CC)Cc1ccccc1CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465607518 YNVCRZKISKIROD-UHFFFAOYSA-N 440.544 4.190 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCCC[C@H](COC)C2)c([N+](=O)[O-])c1 466635631 ZGAGAYQACYHECM-SFHVURJKSA-N 447.557 4.063 5 20 IIBD CC[C@H]1Oc2cc([C@@H](C)Nc3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)ccc2NC1=O 467010136 BSTZYDSNVFSLSI-JLTOFOAXSA-N 438.484 4.113 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CC(OCc3cccc4ccccc34)C2)cc1OC 467470333 SYUQIZXOPROWMM-UHFFFAOYSA-N 436.464 4.197 5 20 IIBD CC(C)n1c([C@@H]2CCCN2C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)nc2ccccc21 467494022 IOEKGNBHIQPMRN-IERDGZPVSA-N 449.511 4.007 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 468084597 FCFGRPLURDAOQJ-OAQYLSRUSA-N 435.505 4.053 5 20 IIBD C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCC(=O)N(C)Cc1ccccc1Br 468647924 HUSWIZZDPNJROP-FOWTUZBSSA-N 446.345 4.399 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)NCC2(c3ccc(C)c(C)c3)CCC2)cc1OC 468832865 DKDSUROCCJONTN-UHFFFAOYSA-N 442.512 4.097 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 469590316 GTVVAEOVGKMREB-MRXNPFEDSA-N 444.879 4.307 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@H](Oc3ccncc3)C2)c([N+](=O)[O-])c1 469742389 RURAYMMOJZNWRU-REWPJTCUSA-N 432.480 4.131 5 20 IIBD CCCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1nnc(-c2ccccc2Cl)o1 471165651 OTESPRIIWJKKPB-UHFFFAOYSA-N 443.891 4.173 5 20 IIBD O=C(NCCOCC(F)F)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 472031808 LLNBRLUPZULNFB-UHFFFAOYSA-N 447.797 4.261 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)NC1CCN(Cc2ccc(Br)cc2)CC1 474547588 MUMHGUORWZZGSU-UHFFFAOYSA-N 446.345 4.071 5 20 IIBD CCC(=O)N1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1 475196090 YVYAVDFYOJXQMO-CQSZACIVSA-N 433.917 4.140 5 20 IIBD C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 475962025 ZACSSQXFERYZTI-CVEARBPZSA-N 431.920 4.349 5 20 IIBD O=C1NCCN1c1ccc(Cl)c(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)c1 476566752 JKZHAPBCCOVABL-UHFFFAOYSA-N 428.876 4.367 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@H](C)c2c(F)cccc2Cl)ccc1[N+](=O)[O-] 477281825 WKQGXAFXMCYMBS-ACJLOTCBSA-N 433.867 4.178 5 20 IIBD Cc1coc(-c2cc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)ccc2C)n1 478493646 SNZQNTCHKSZSAR-INIZCTEOSA-N 440.481 4.171 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCOc1ccc(C(F)(F)F)cn1 479799529 BECIAHXJPHJSMW-UHFFFAOYSA-N 440.422 4.398 5 20 IIBD CCO[C@H]1C[C@H](O)C12CCN(C(=O)Nc1cccc(Oc3ccc([N+](=O)[O-])cc3)c1)CC2 480746509 BUCNRBFLVDIKMK-SFTDATJTSA-N 441.484 4.171 5 20 IIBD CCOc1ccc(-n2c(Sc3cc(C)ccc3[N+](=O)[O-])nnc2-c2cnccn2)cc1 481827223 XTMAZMRXYCIPLA-UHFFFAOYSA-N 434.481 4.491 5 20 IIBD CCOC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)c1ccc([N+](=O)[O-])cc1Cl 482224258 ZSDCQYGUPDDOHX-FQEVSTJZSA-N 426.856 4.306 5 20 IIBD CCCS(=O)(=O)Nc1cccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1C 483030432 SWAGSAWBEKLDSL-UHFFFAOYSA-N 446.529 4.251 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 483154534 PYELMFXAMCDQBK-UHFFFAOYSA-N 448.932 4.246 5 20 IIBD O=C(NCC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21)c1c(Cl)cccc1[N+](=O)[O-] 485637578 SBEZGNCVWVFDRY-SCTDSRPQSA-N 441.915 4.163 5 20 IIBD CCOCCOc1cc(C)ccc1CNC(=O)c1sc(Br)cc1[N+](=O)[O-] 486173883 HFLJIHSYSRTWRG-UHFFFAOYSA-N 443.319 4.073 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C2CCC2)cc1 487656554 VNMOLTPIUCYJKR-FQEVSTJZSA-N 427.526 4.353 5 20 IIBD Cc1ccc([C@H](C)NC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)cc1[N+](=O)[O-] 488070494 PJUHZRLZBXCSKC-FKIZINRSSA-N 431.901 4.363 5 20 IIBD COc1ccc(-c2nc(CC(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)cs2)cc1OC 488088040 HLZVMVNDKNFSPB-AWEZNQCLSA-N 441.509 4.464 5 20 IIBD COC(=O)COc1ccc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c(C)c1 489976815 BAODMJAIVALJTQ-UHFFFAOYSA-N 449.463 4.319 5 20 IIBD CCOc1cc(CSc2nc3ccccc3c(=O)n2[C@@H](C)COC)ccc1[N+](=O)[O-] 492209796 MILAAWATXLBUIZ-AWEZNQCLSA-N 429.498 4.203 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 494102937 FBFHMZXEUAHAFO-NTKDMRAZSA-N 434.540 4.296 5 20 IIBD CS(=O)(=O)c1cccc(NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)c1[N+](=O)[O-] 497525075 QSHKNJVPNULKMV-INIZCTEOSA-N 441.912 4.040 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1C 497555165 SDCPMLMJIKGCOI-HUUCEWRRSA-N 445.541 4.131 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 497777460 ZWDXFRZKPMFWQL-UHFFFAOYSA-N 439.493 4.087 5 20 IIBD CC(C)(CNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(F)cc1Cl 497914781 AWKUFMAOBBTKHJ-UHFFFAOYSA-N 449.866 4.169 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc([N+](=O)[O-])c2cccnc12 497920681 ACTZLDIOYPRUQO-UHFFFAOYSA-N 448.460 4.196 5 20 IIBD C[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1OCc1ccccc1 498106743 MXELLZOFGNTETD-QGZVFWFLSA-N 426.494 4.354 5 20 IIBD O=C(c1csc(-c2ccc(Cl)s2)n1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 498382536 DBQJHPKDLAFSJT-UHFFFAOYSA-N 434.930 4.396 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1 503394756 BZWFDONKTYTCMD-UHFFFAOYSA-N 426.491 4.033 5 20 IIBD COCCCN(C(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 504096044 NFIGBKRPRILDGG-DFFRQBCASA-N 439.512 4.152 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H](c2ccccc2)c2nccs2)cc1[N+](=O)[O-] 505041515 LJRIFCICZIWICC-IBGZPJMESA-N 429.523 4.199 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)CSc2ccccc2OC)cc1SC 505063937 VFLKLLWGZOPTIW-ZDUSSCGKSA-N 436.555 4.492 5 20 IIBD Cc1ccc(-n2c(SCC(=O)c3ccc([N+](=O)[O-])cc3)nnc2N2CCCCC2)cc1 505755270 CYTCMIZHTHJOAT-UHFFFAOYSA-N 437.525 4.449 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N1CCC[C@@H]1c1cccs1 508781274 XQUODXMWBSRZNM-CYBMUJFWSA-N 428.251 4.238 5 20 IIBD CC[C@@H](C)c1ncc(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)cn1 510763397 BQOXSNFYNXSLGC-SECBINFHSA-N 440.241 4.064 5 20 IIBD CC(C)CN(C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCN(C)CC1 511055938 GOAMQVWPPLQGEK-UHFFFAOYSA-N 433.496 4.285 5 20 IIBD CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c1C(C)C 512282858 VEMGVTQIJQYLHD-KRWDZBQOSA-N 443.500 4.370 5 20 IIBD CO[C@H](C)CN(C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 513252443 KRALTOSZUAVPTG-FZKQIMNGSA-N 436.306 4.004 5 20 IIBD Cn1ccnc1[C@H](NCc1cc(Cl)c2c(c1)OCCCO2)c1ccc([N+](=O)[O-])cc1 513658987 AFBYJTMBKLDVRP-LJQANCHMSA-N 428.876 4.022 5 20 IIBD CCC[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1C)C(=O)Nc1cccc(N2CCCC2)c1 513956878 LQBIYROAQCOHTH-FQEVSTJZSA-N 439.516 4.432 5 20 IIBD CN(C[C@H]1CCCCO1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 515975957 NVGVJUMCKFBREL-JOCHJYFZSA-N 434.496 4.018 5 20 IIBD COc1ccc(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cc1OCc1cccnc1 517643399 ZBMCMEOXBOCHGY-UHFFFAOYSA-N 446.419 4.084 5 20 IIBD COc1cc(C(=O)NCc2nc3cc(Cl)ccc3s2)c([N+](=O)[O-])cc1OC(F)F 518787056 GNRCXASBDROIRQ-UHFFFAOYSA-N 443.815 4.398 5 20 IIBD CCCOc1cc(NC(=O)C(=O)N(C)[C@@H]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OCCC 519048096 PDEGPQAYVBTMKE-JKSUJKDBSA-N 435.521 4.148 5 20 IIBD COc1ccc(-c2csc(NC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)n2)cc1F 519106181 WJZGGQYCCAMLIV-UHFFFAOYSA-N 439.428 4.304 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 520975598 AYCPYKHBXDAGSE-UHFFFAOYSA-N 433.873 4.331 5 20 IIBD Cc1ccccc1CN(Cc1ccccc1)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 521841416 HSZBGHGMMXUIFG-UHFFFAOYSA-N 427.464 4.327 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CNc3cc(F)c(Cl)cc3N3CCOCC3)co2)cc1 522033335 WSOPHYRHMALTQY-UHFFFAOYSA-N 432.839 4.491 5 20 IIBD COCCN(C(=O)CO[C@H]1CCC[C@H](C)C1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 522157541 GAZHRUJMIKMXAC-YJBOKZPZSA-N 433.530 4.293 5 20 IIBD COc1ccc([C@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1Br 524554934 MONMGQHZSCXYIF-JTQLQIEISA-N 427.682 4.439 5 20 IIBD Cn1cc(C(=O)Nc2cccc3c2CN(c2nccs2)C3)c(-c2ccc([N+](=O)[O-])cc2)n1 534740482 LBLPGELOIWXMBD-UHFFFAOYSA-N 446.492 4.224 5 20 IIBD COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 536777977 NPUHCNXSBZSZLK-XIKOKIGWSA-N 442.390 4.051 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1Cn1cc(C(F)(F)F)cc(Br)c1=O 537347947 OKOBCXFAWFAQAR-UHFFFAOYSA-N 435.196 4.373 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(Cc2ccncc2)CC1 537485094 FPASQXIPTDTADJ-UHFFFAOYSA-N 428.558 4.276 5 20 IIBD COc1ccc(-c2ccc(CNc3cc(F)cc(N4CCOCC4)c3)o2)c([N+](=O)[O-])c1 538834385 QBGARBCTLOLYNP-UHFFFAOYSA-N 427.432 4.451 5 20 IIBD Cc1c(Br)cc(C(=O)N[C@@H](CO)c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] 540026514 HBUPAACYDUASIL-AWEZNQCLSA-N 447.207 4.148 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)Nc1cc(Cl)ccc1SC(C)C 541394840 VERGMBPSCQUJTI-UHFFFAOYSA-N 437.905 4.012 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCc2c(Br)ccc(F)c2C1 541642016 MMWJEBXIOGEQEM-UHFFFAOYSA-N 432.249 4.036 5 20 IIBD CC(C)(C)Oc1c(F)cc(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1F 542031306 BSPUKJBTVIKXOM-UHFFFAOYSA-N 434.443 4.404 5 20 IIBD Nc1c(C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)cc(F)cc1[N+](=O)[O-] 542386545 DZOQBYPYKZATIN-UHFFFAOYSA-N 441.290 4.017 5 20 IIBD C[C@H](O)[C@H]1CCN(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)C1 542419066 RDSPTUWMRDABFH-JSGCOSHPSA-N 437.855 4.092 5 20 IIBD CCc1ccc([C@H](NC2CCN([C@@H]3CCCC[C@H]3O)CC2)c2ccc([N+](=O)[O-])cc2)o1 544381990 LDJZDZSIXPROKX-CQOQZXRMSA-N 427.545 4.197 5 20 IIBD COc1ccc(SCCc2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)cc1OC 545076202 UWEBDQKGULCVTG-UHFFFAOYSA-N 440.481 4.402 5 20 IIBD CC(C)OCc1ccccc1-c1noc(CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)n1 545643126 QGCJSVTUMUILIK-UHFFFAOYSA-N 438.440 4.111 5 20 IIBD CO[C@@H](c1ccc(F)cc1)c1noc(-c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)n1 545804859 DGHCFZKLUWJFBK-FQEVSTJZSA-N 437.431 4.381 5 20 IIBD COc1ccc(Cc2noc(-c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)n2)cc1OC(F)F 546384878 ZWIFYGZZXYILKG-UHFFFAOYSA-N 443.366 4.031 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1ccnn1CCC(C)C 548868732 BFPHTUBECORNPP-UHFFFAOYSA-N 442.257 4.003 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(OCCCO)cc3)cc2[N+](=O)[O-])C1 553627808 SIQBZXKNLOOREN-IAGOWNOFSA-N 427.501 4.091 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](CN2CCCC[C@H]2C)C1 555886449 OHZSACPCEVVZIH-ZBFHGGJFSA-N 438.366 4.392 5 20 IIBD COc1ccccc1O[C@H]1CCCN(C(=O)c2sc(Br)cc2[N+](=O)[O-])C1 557142744 DPAXLOSYKKTQRF-NSHDSACASA-N 441.303 4.111 5 20 IIBD C[C@@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F)[C@@H]1OCCc2sccc21 559755033 BBVMTKBVVZJLMF-PXAZEXFGSA-N 428.432 4.497 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1-c1nc(C2CCSCC2)no1 566704312 AGNPLLJPFFJYDM-UHFFFAOYSA-N 431.255 4.168 5 20 IIBD CCN(C)C(=O)c1cccc(NCc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])c1 569223607 XPMPRGMDCNDCOO-UHFFFAOYSA-N 441.406 4.249 5 20 IIBD C[C@@H](NC(=O)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1)c1cccc([N+](=O)[O-])c1 569845017 GQFBHPJACBCPCV-OAHLLOKOSA-N 434.489 4.088 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](c1ccccc1F)C1CCCC1 578790873 INZZMBCKOJVSJV-FQEVSTJZSA-N 447.894 4.094 5 20 IIBD O=C(NCCC(=O)N(Cc1ccco1)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 603531253 TWAIVWGHDBMAKF-UHFFFAOYSA-N 427.844 4.195 5 20 IIBD COc1ccc(CSc2nnc(N3CCC[C@H](C)C3)n2Cc2ccco2)cc1[N+](=O)[O-] 603724394 QBPUWHJKPNRJMK-HNNXBMFYSA-N 443.529 4.365 5 20 IIBD COc1cc(CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)ccc1OC1CCCC1 603761163 BMCJEHXGFZLCBP-UHFFFAOYSA-N 436.468 4.041 5 20 IIBD CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 603876029 MOEVQZJNKOHMFZ-WMZOPIPTSA-N 444.702 4.084 5 20 IIBD CC(C)[C@@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2cccnc2)no1 608799262 RJLLCDWFKRAYOH-SUMWQHHRSA-N 427.486 4.034 5 20 IIBD O=C(N[C@H]1CCc2c(Br)cccc21)C1CCN(c2ccccc2[N+](=O)[O-])CC1 609022837 PHYHGJJAZOXRSO-SFHVURJKSA-N 444.329 4.377 5 20 IIBD C[C@@H](NC(=O)[C@@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1)c1cccc([N+](=O)[O-])c1 609057292 HKDFBKKTPFEFJI-QRWLVFNGSA-N 441.553 4.285 5 20 IIBD CC(C)C[C@H](C)Oc1cc(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)ccn1 609528275 DZNIPQAVYQNGAC-SFHVURJKSA-N 440.544 4.336 5 20 IIBD C[C@@](O)(CNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)C1CC1 609816942 PDJSNFZTYOHBJY-HXUWFJFHSA-N 437.855 4.140 5 20 IIBD Cc1ccc(NCCCNC(=O)Nc2cc(NC(=O)C3CC3)ccc2C)c([N+](=O)[O-])c1 610094101 IAUVBCSMZNBVAH-UHFFFAOYSA-N 425.489 4.184 5 20 IIBD CN(C)CCCOc1ccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 610324124 VIOZPZZIXWHDLW-UHFFFAOYSA-N 442.516 4.001 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCCC[C@@H]1/C=C\c1cccs1 611957741 ZAUOJXVDAWZLBJ-JZDUJLCSSA-N 427.526 4.259 5 20 IIBD CC(=O)NCCN(Cc1ccsc1)C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 619756933 ALWYWPYJXQAISZ-UHFFFAOYSA-N 447.582 4.470 5 20 IIBD Cc1nc(-c2ccco2)ccc1C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 726230795 GHCDPMORCQRASJ-UHFFFAOYSA-N 449.341 4.373 5 20 IIBD C[C@H](OC(=O)Cc1csc(C(C)(C)C)n1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 726835492 WTJYYQHTLSMRBO-JTQLQIEISA-N 425.894 4.115 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 727711624 LEAJDYPCJGMJCS-UHFFFAOYSA-N 437.905 4.065 5 20 IIBD Nc1cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])ccc1Oc1ccccc1 728635158 KXXZZGNRXWXPAE-UHFFFAOYSA-N 441.827 4.418 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)OCc1cc([N+](=O)[O-])ccc1OC(C)C 729113658 LNOFLKGLYOQWJZ-UHFFFAOYSA-N 437.452 4.111 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)O[C@@H](C)C(=O)Nc2ccc(F)cc2F)CC1 729470862 JKFBGDMPKIYLQR-AWEZNQCLSA-N 447.438 4.293 5 20 IIBD Cc1sc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc1-c1cccc([N+](=O)[O-])c1 730173567 ZBNYWBIRDKFZRE-AWEZNQCLSA-N 440.456 4.157 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 730224305 XHJBJORNCKXJMG-KRWDZBQOSA-N 447.221 4.159 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1cc(F)ccc1Oc1ccccc1 731627878 HKGAOAAKPSWHSZ-UHFFFAOYSA-N 440.383 4.365 5 20 IIBD CCc1c(-c2ccc(Br)cc2)n[nH]c1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 732178555 QHEQSLVUVDIATL-UHFFFAOYSA-N 430.262 4.144 5 20 IIBD COCCN(C(=O)/C=C\c1cnc(C)s1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 732728104 QHYRBUKOELOXKG-FPLPWBNLSA-N 430.511 4.176 5 20 IIBD COc1ccc2c(C)c(CCC(=O)OCc3ccc(Cl)c([N+](=O)[O-])c3)c(=O)oc2c1 735800145 BUWGKISIRAVYSM-UHFFFAOYSA-N 431.828 4.348 5 20 IIBD O=C(COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)N[C@@H](c1ccccc1)c1cccs1 736865064 CAIZYQRXIYKNDK-IBGZPJMESA-N 430.869 4.372 5 20 IIBD Cc1nnc(-c2ccc(NC(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)o1 740713002 PNYOWOFQVWZIRX-UHFFFAOYSA-N 435.362 4.413 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2ccccc2NC(=O)c2cccs2)cc1[N+](=O)[O-] 742029429 ATQKQDQZMRZUFV-UHFFFAOYSA-N 435.458 4.157 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CCCN(c2ncnc3sccc23)C1 742502120 CNMWMQMBHRSWSS-CYBMUJFWSA-N 445.932 4.128 5 20 IIBD CCC(C)(C)CCOC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 744547519 GFZLZNCNQGFMQK-UHFFFAOYSA-N 446.953 4.018 5 20 IIBD CCn1c(SCC(=O)OCc2cc(Cl)ccc2[N+](=O)[O-])nnc1-c1cccs1 746057264 FNLAHQKBIKPGSK-UHFFFAOYSA-N 438.918 4.424 5 20 IIBD O=C(OCc1nc(-c2ccccn2)no1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 746058494 FSPMMNXJLPSPJK-UHFFFAOYSA-N 431.408 4.009 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 746270839 KNDUKTZYODPQMB-XXBNENTESA-N 441.503 4.453 5 20 IIBD CCN(C)C(=O)COC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 746532986 NOCOLTPFPJNALE-UHFFFAOYSA-N 442.415 4.400 5 20 IIBD COC(=O)c1ccc([C@@H](OC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C(F)(F)F)cc1 747210843 QKKYPEPZTFEOSS-QGZVFWFLSA-N 449.341 4.028 5 20 IIBD C[C@@H](OC(=O)c1ccccc1NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] 748331551 FWBGHVZAENSPQI-CYBMUJFWSA-N 429.429 4.126 5 20 IIBD CCOc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 748532459 SLTZOLBPGLMAGS-MSOLQXFVSA-N 447.532 4.388 5 20 IIBD CCCOC(=O)c1cc(-c2cncnc2)ccc1NC(=O)Cc1cccc([N+](=O)[O-])c1C 749161310 DXWCLKZPMKZGMS-UHFFFAOYSA-N 434.452 4.108 5 20 IIBD COc1cc(-c2noc(COC(=O)c3ccc([N+](=O)[O-])cc3Br)n2)ccc1C 750040568 PMEAZFKKGCSQBY-UHFFFAOYSA-N 448.229 4.081 5 20 IIBD CN(Cc1ccc2c(c1)OCCO2)C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 750828488 ZKLGCRMXUBTZMU-UHFFFAOYSA-N 441.665 4.054 5 20 IIBD COc1cccc2c1CC[C@@H]2NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 750905412 ORMNNRCRZPZPFX-ZDUSSCGKSA-N 425.666 4.437 5 20 IIBD Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1Br 751121238 GZVVWNHLZMDGLN-UHFFFAOYSA-N 434.290 4.304 5 20 IIBD CC(C)N(C)C(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 751283309 BFOHARAOXQWEGG-UHFFFAOYSA-N 446.312 4.183 5 20 IIBD CC(C)(C)OC(=O)NC1CCC(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 752437828 SXIGVWXYUSDWAY-UHFFFAOYSA-N 443.953 4.292 5 20 IIBD O=C(COC(=O)c1c(F)ccc([N+](=O)[O-])c1F)Nc1ccc(Br)cc1Cl 752567250 RESTZZRDYNJJLS-UHFFFAOYSA-N 449.591 4.084 5 20 IIBD COC(=O)CCSc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1 756046634 KJSRDOLDHBGQDW-UHFFFAOYSA-N 429.498 4.103 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)c2ccc(OC)c(Cl)c2)cc1OC 758368117 SIAARUCGZKUKPT-LLVKDONJSA-N 437.832 4.092 5 20 IIBD C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1N)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 758961467 DALWGUWUDIKCDB-MRVPVSSYSA-N 431.754 4.033 5 20 IIBD CC(C)(C)C(=O)N1CCC(COC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 762878983 CCTDDUDEPFYCAO-UHFFFAOYSA-N 431.514 4.160 5 20 IIBD COC(=O)c1ccc(OC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)cc1[N+](=O)[O-] 763705339 LLDCNAVCFGTKCJ-NRFANRHFSA-N 447.399 4.055 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1cccc2ccccc12 763809832 HWWBNIPXNVHTOV-UHFFFAOYSA-N 440.477 4.282 5 20 IIBD Cc1onc(-c2ccncc2)c1C(=O)OCCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 766323505 BKQVSNWSWPLOCL-UHFFFAOYSA-N 437.330 4.208 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 768214520 DCDIFJXAEMSPBL-UHFFFAOYSA-N 442.903 4.442 5 20 IIBD Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 769461925 CLJIFZWUUVIAEV-QGZVFWFLSA-N 444.898 4.022 5 20 IIBD COc1ccc(-c2nc(COC(=O)c3cccc(OC)c3[N+](=O)[O-])cs2)c(OC)c1 769600652 FVXTYOXXZTYKTP-UHFFFAOYSA-N 430.438 4.101 5 20 IIBD O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)c1cc([N+](=O)[O-])c2nsnc2c1 771508950 IBNLPBFGDNOUBH-UHFFFAOYSA-N 432.767 4.446 5 20 IIBD O=C(COC(=O)c1cnc(Cc2ccccc2F)s1)Nc1ccc(Cl)c([N+](=O)[O-])c1 772817327 CAWBBTDGFSDDFU-UHFFFAOYSA-N 449.847 4.230 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1cc(F)c([N+](=O)[O-])cc1F 773893340 NIEZDRHXSFMBQV-FVMDXXJSSA-N 429.217 4.142 5 20 IIBD O=C(c1cc2c(F)cccc2s1)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 773984261 KMZTYYZTJHCREC-UHFFFAOYSA-N 439.472 4.177 5 20 IIBD Cc1nc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)sc1Cc1ccc(F)c(F)c1F 775167408 HRROEEYZOBGXKP-UHFFFAOYSA-N 449.457 4.230 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C(F)F)ccc2Cl)cc1[N+](=O)[O-] 777639278 BLRJDWCYZFZGKL-UHFFFAOYSA-N 435.792 4.165 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCCCO2)cc1F 777910860 IPDJIRDENGEYLG-AWEZNQCLSA-N 445.852 4.103 5 20 IIBD COc1ccc2ccccc2c1-c1cc(CNc2cc([N+](=O)[O-])ccc2NCCO)on1 777931490 YJQQUEZKKLNNQY-UHFFFAOYSA-N 434.452 4.428 5 20 IIBD Cc1c(NC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)cccc1C(=O)Nc1ccccc1 778251850 MBHRZJMLWCYWLA-UHFFFAOYSA-N 433.449 4.413 5 20 IIBD O=C(CCc1ncc(-c2ccccc2)o1)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 778803708 QVTVNTBPSYBLKE-QGZVFWFLSA-N 425.416 4.144 5 20 IIBD O=C(NCc1ccc(N2CCCC2=O)cc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 780249370 DQHGXHFGUNZOJP-UHFFFAOYSA-N 447.441 4.016 5 20 IIBD O=C(OCc1nc(-c2ccccc2F)no1)c1cc([N+](=O)[O-])c(Br)cc1F 781192928 QJZXITGSTSXNTI-UHFFFAOYSA-N 440.156 4.043 5 20 IIBD CCOc1cc(Br)ccc1NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781734030 GKTYVYMMRTVWER-UHFFFAOYSA-N 438.234 4.236 5 20 IIBD Cc1ccc2c(Cl)c(C(=O)NS(=O)(=O)c3cccc(F)c3[N+](=O)[O-])sc2c1 781839796 KLVZPDGNQNLZTQ-UHFFFAOYSA-N 428.850 4.029 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 784101613 GVDBYKMCNCVKNU-OLZOCXBDSA-N 443.953 4.102 5 20 IIBD CCC[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H](O)c1ccccc1 792195885 SLWCLURACPYAPN-ROUUACIJSA-N 425.407 4.315 5 20 IIBD O=C(Nc1cc(F)c(Br)cc1Cl)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 798532856 DTQNZXYMCBLSQX-HNNXBMFYSA-N 442.628 4.282 5 20 IIBD CC1([C@@H]2CCCN(C(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])C2)OCCO1 799720907 XMAULCAWZNPBMR-MRXNPFEDSA-N 428.510 4.361 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C 801049649 WGEYLXKGNDEIMF-PBHICJAKSA-N 437.562 4.227 5 20 IIBD COc1cc(C(=O)OCc2nc3cccc(Cl)c3[nH]2)c([N+](=O)[O-])cc1OC(F)F 802883851 NUVARKKERIJCJZ-UHFFFAOYSA-N 427.747 4.092 5 20 IIBD Cc1cccc2cc(C(=O)OCC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCCO4)sc12 808631351 ZZZOBGSTHSEHNW-UHFFFAOYSA-N 442.449 4.075 5 20 IIBD C[C@@H](OC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(S[C@H]2CCCCNC2=O)cc1 809051718 VTQFWVNRHYPMND-QRWLVFNGSA-N 444.509 4.039 5 20 IIBD O=C(CN1CCC(c2noc3cc(F)ccc23)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] 810046187 IWTPDNVBVAZGDU-UHFFFAOYSA-N 432.839 4.347 5 20 IIBD O=C(N[C@@H]1c2ccccc2CC12CCOCC2)c1ccc(Br)c([N+](=O)[O-])c1 810921403 SEKJZNPYYYEQKR-GOSISDBHSA-N 431.286 4.181 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@H](Nc1ncc([N+](=O)[O-])c(N)n1)CC(C)(C)O2 811863013 OOEGLLFQFNKMPD-CYBMUJFWSA-N 430.465 4.028 5 20 IIBD COc1ccc([C@H](O)C2CCN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CC2)cc1 812627490 SXLPQUMMWDBVAA-VWLOTQADSA-N 442.515 4.276 5 20 IIBD CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 812830923 DBLHLRUNLDUYOF-UHFFFAOYSA-N 440.283 4.401 5 20 IIBD Cc1nc(C(=O)O[C@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)nn1-c1ccccc1C(C)C 813172556 KMJQMRUVEORKPP-FQEVSTJZSA-N 449.511 4.039 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3cccc(CN4CCCCC4)c3)no2)cc1-n1ccnc1 904433852 LCQKCBOILMIZSS-UHFFFAOYSA-N 430.468 4.483 5 20 IIBD Cc1ccc(OCCCOC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1C 914884127 VAMFBJJQZQQXHW-UHFFFAOYSA-N 442.497 4.117 5 20 IIBD COC(=O)[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1)c1ccccc1 915441514 GYOYCZQIKXRMNQ-OAQYLSRUSA-N 437.404 4.467 5 20 IIBD C[C@H](OC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(OC(F)F)cc1 916522809 NLCKQORCUUYVSY-NWDGAFQWSA-N 425.409 4.491 5 20 IIBD Cc1occc1C(=O)Nc1nc(CC(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)cs1 917069693 XOFUPRPUTNSRLX-UHFFFAOYSA-N 448.888 4.060 5 20 IIBD COc1ccc([C@@H]2CCCCCN2C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 918314550 FQBBBTNRYWASKQ-SFHVURJKSA-N 431.876 4.339 5 20 IIBD Cc1ccc(OC(=O)[C@@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)c([N+](=O)[O-])c1 918705858 JUSYMGPLECNKEZ-GFCCVEGCSA-N 433.511 4.458 5 20 IIBD O=C(OCCOc1ccccc1[N+](=O)[O-])c1cnn(-c2ccccc2F)c1C(F)(F)F 919062225 UZNSNHIXIUIHTD-UHFFFAOYSA-N 439.321 4.174 5 20 IIBD CCN(C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)[C@H](C)c1cc2ccccc2o1 920010072 YUFBMUCQZRPEEI-ZBFHGGJFSA-N 439.443 4.443 5 20 IIBD C[C@H](OC(=O)c1ccc(N)cc1Cl)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 920541728 JATIQGDTCQEEJD-JTQLQIEISA-N 446.872 4.138 5 20 IIBD CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1N 1116947602 ACKZCOLJIQXIDL-IFXJQAMLSA-N 448.317 4.179 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCc2ccc([N+](=O)[O-])cc2C1 1252810422 JMSKEGOBEUFHBJ-UHFFFAOYSA-N 432.436 4.314 5 20 IIBD Cc1cc(-c2nnc(-c3ccc(Cn4nnc(-c5ccccc5)n4)cc3)o2)cc([N+](=O)[O-])c1 1257738341 RZUBTHBADYOLME-UHFFFAOYSA-N 439.435 4.322 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CCC(Nc2ccccc2Cl)CC1 1318505336 SBYRDGJNNYMAFW-UHFFFAOYSA-N 426.860 4.219 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cc(N2CCOC2=O)ccc1F 1321963574 OGGPVUNUCNTRPY-UHFFFAOYSA-N 438.209 4.014 5 20 IIBD O=[N+]([O-])c1cc(Cl)c2ncnc(NCC3(c4ccc5c(c4)OCO5)CCOCC3)c2c1 1323600022 GLPIAWLPQSZKBL-UHFFFAOYSA-N 442.859 4.080 5 20 IIBD COc1cc(C(=O)OCc2sccc2Br)c([N+](=O)[O-])cc1OC(F)F 1345040727 YCQBDWZRVSELEQ-UHFFFAOYSA-N 438.202 4.386 5 20 IIBD Cc1cc(CCC(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])[nH]4)cc3)CCC2)ccn1 1790184271 LRJUTGXEYNIJAP-UHFFFAOYSA-N 447.495 4.007 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3cc(F)c[nH]3)cc2)CCC1)c1cc(F)cc([N+](=O)[O-])c1 1791473857 JNOISFMRDUIYBT-UHFFFAOYSA-N 440.406 4.263 5 20 IIBD CCCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(F)c2[N+](=O)[O-])C3)cc1 1799769064 DQNIGRNDWSERNC-REPLKXPHSA-N 439.487 4.252 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1C1CC1 1800530571 NOVSPMDARWHCNZ-BJWYYQGGSA-N 437.471 4.177 5 20 IIBD Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)s1 1800709778 AZHRFLFHXUGFLV-MUJYYYPQSA-N 447.944 4.492 5 20 IIBD C[C@@H]1C[C@]1(C)C(=O)N1CCC2(CCCN(C(=O)Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 1805485171 SQTSBNSWWNRVAU-ZHRRBRCNSA-N 447.963 4.068 5 20 IIBD CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])[nH]n1 1816828889 IXKZSAJVSIJAKQ-INIZCTEOSA-N 447.923 4.252 5 20 IIBD Cc1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/C(C)C)[nH]n2)cc1[N+](=O)[O-] 1820919407 CPYYMUAYDLHYLA-QPGLYAHGSA-N 439.516 4.073 5 20 IIBD CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3cc([N+](=O)[O-])ccc3F)CC2)CCC1 1824946017 BISMJKMTQJULOY-NRFANRHFSA-N 445.535 4.086 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC12CN(C(=O)c1ccc(C3CC3)cc1)C2 1845493921 SPMQVHYPWZXTGW-UHFFFAOYSA-N 437.471 4.051 5 20 IIBD O=C(COC(=O)c1ccccc1NCc1ccco1)Nc1cc([N+](=O)[O-])ccc1Cl 9023280 CLSASAHHFPQPIG-UHFFFAOYSA-N 429.816 4.249 5 20 IIBD COc1ccc([C@@H](NC(=O)COC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C(C)C)cc1 10565519 FPHQUKSNDARUQO-NRFANRHFSA-N 442.493 4.488 5 20 IIBD C[C@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1Cl 10733794 NAUMBHOKEQWBRG-LBPRGKRZSA-N 435.839 4.172 5 20 IIBD COc1ccc(Nc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)s2)cc1 10786306 ROUJKPOZAZRIIS-UHFFFAOYSA-N 431.499 4.238 5 20 IIBD CN(C(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1)c1ccc([N+](=O)[O-])cc1 12207830 PWQCWLFEGNOCNN-UHFFFAOYSA-N 438.509 4.175 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)CCc1nc2ccccc2s1)c1ccccc1[N+](=O)[O-] 12860963 WUMYSXLQIIXXDH-KRWDZBQOSA-N 441.509 4.336 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)cc1OC 18968954 DXKTXGXEVGMPHF-UHFFFAOYSA-N 428.224 4.349 5 20 IIBD C[C@H](OC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 19426227 NOUMXZRLQLPBFZ-ZDUSSCGKSA-N 429.429 4.126 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1 22389595 JJNNYHYIJXUNOC-UHFFFAOYSA-N 441.513 4.080 5 20 IIBD C[C@H](OC(=O)COc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1Oc1ccccc1 22478147 SNZOIBKWXGVVNW-INIZCTEOSA-N 436.420 4.336 5 20 IIBD CCCCOc1c(Cl)cc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1OC 57568080 SUPUATWCKCORBJ-UHFFFAOYSA-N 447.919 4.398 5 20 IIBD Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)N4CCc5cc([N+](=O)[O-])ccc54)cc3C2=O)c1 57836036 WTFUSLIMKHYNTH-UHFFFAOYSA-N 441.443 4.215 5 20 IIBD COc1ccc(CCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(OC)c1OC 59737349 WAONXCCUVZAKFD-UHFFFAOYSA-N 443.481 4.315 5 20 IIBD Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 71924988 PXRGBARYIFNSAC-LBPRGKRZSA-N 441.431 4.315 5 20 IIBD CCOc1ccc(C(=O)N[C@@H](c2ccccc2)c2nc3ccccc3n2C)cc1[N+](=O)[O-] 109145298 DLZKNPBNDZDBGP-QFIPXVFZSA-N 430.464 4.400 5 20 IIBD Cn1c(Sc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])nnc1-c1ccc(C(C)(C)C)cc1 301059904 AAUDEPVPZYNESC-UHFFFAOYSA-N 446.554 4.243 5 20 IIBD C[C@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1cc(Cl)ccc1Cl 409857681 UNSQCLLAMLVEMV-NSHDSACASA-N 438.267 4.467 5 20 IIBD CCCC[C@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)C1CCC1 430307056 URSDGWRNPSBNGN-AWEZNQCLSA-N 426.311 4.079 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccco2)c2ccccc2OC)cc1OC 431106022 DJTMBQCFAVPRSV-NRFANRHFSA-N 426.425 4.123 5 20 IIBD CN(C)[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C1CCCCC1 436106572 GMKQNWYSYQIFFY-OAQYLSRUSA-N 427.495 4.200 5 20 IIBD COc1ccc(NC(=O)CCN2CCCc3c([nH]c4c(F)cccc34)C2)c([N+](=O)[O-])c1 439484931 QWBNNUKWJNSFNF-UHFFFAOYSA-N 426.448 4.001 5 20 IIBD Cc1csc(NC(=O)CS[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 443476321 SSLQXCQNODIVNZ-VIFPVBQESA-N 448.448 4.077 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CC[C@@H](n2ncc3ccccc32)C1 444312192 SUXASDSRAWITCB-MRXNPFEDSA-N 444.441 4.396 5 20 IIBD COc1ccc(C(C)(C)c2noc(-c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)n2)cc1OC 445690051 FTKUTPIBGNUQCA-UHFFFAOYSA-N 435.440 4.174 5 20 IIBD COc1cc(Cc2noc(Cc3cccc4ccc(OC)cc34)n2)c([N+](=O)[O-])c(OC)c1 445823433 FDVQFYYHXQPZFB-UHFFFAOYSA-N 435.436 4.338 5 20 IIBD O=C(CSc1nnc(-c2ccc3ccccc3c2)o1)N1CCc2ccc([N+](=O)[O-])cc2C1 446420710 LORUZMLDRNUJEL-UHFFFAOYSA-N 446.488 4.475 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3nccs3)cc2)c(Br)c1 446993161 YFDAVSUKHFCPIV-UHFFFAOYSA-N 440.300 4.282 5 20 IIBD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)n1 447528259 ILNPYGXGRUPKIN-GBESFXJTSA-N 437.466 4.158 5 20 IIBD COc1ccccc1[C@H](CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)N1CCCCC1 447541767 MZIBDYDRCMRFLW-HBMCJLEFSA-N 427.549 4.100 5 20 IIBD O=C(NCCNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])c1ccccc1Cl 447687291 UBUBLAYEHGDLHE-UHFFFAOYSA-N 438.740 4.139 5 20 IIBD CNc1c(C(=O)N[C@@H](C)c2ccc(OCc3ccncc3)c(OC)c2)cccc1[N+](=O)[O-] 462934700 ICMYIZLOEODKQU-HNNXBMFYSA-N 436.468 4.110 5 20 IIBD Cc1nc(C(C)C)sc1[C@@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 464194062 KGMXSDKJMLRBKX-CYBMUJFWSA-N 434.543 4.413 5 20 IIBD CCOC(=O)COc1ccc(CCNC(=O)c2cc3ccccc3c3cccnc23)cc1 464646993 ZVZWPSRVDUAJAM-UHFFFAOYSA-N 428.488 4.302 5 20 IIBD CC(C)Oc1ccc2ccccc2c1CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 467876410 BHVLJXKMHOJEJJ-UHFFFAOYSA-N 441.871 4.444 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 467996096 UKFPGBZBPLVTHY-UHFFFAOYSA-N 439.855 4.338 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N2CCO[C@@H](C(C)(C)C)C2)cc1[N+](=O)[O-] 468527431 JHXNEOOHGHJCAV-HXUWFJFHSA-N 442.537 4.435 5 20 IIBD COc1ccc(CS(=O)(=O)Cc2ccc(Br)c(Cl)c2)cc1[N+](=O)[O-] 468780732 BPHGNSOYKNSFHR-UHFFFAOYSA-N 434.695 4.134 5 20 IIBD COc1cc(C(=O)N2CC[C@@H](c3c(F)cccc3F)C2)c([N+](=O)[O-])cc1OC(F)F 468863978 GEWPSTMZWSSTQJ-SNVBAGLBSA-N 428.338 4.113 5 20 IIBD COC[C@H](C)Oc1ccc(Cl)cc1N[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 469104753 XXJPTVXQFBSENB-QWHCGFSZSA-N 437.880 4.110 5 20 IIBD CCOc1ccc(S(=O)(=O)N(C)c2ccc(Oc3cc(C)c([N+](=O)[O-])cn3)cc2)cc1 470862351 IHDKIWKGIAZKGG-UHFFFAOYSA-N 443.481 4.314 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN(CCO)[C@H]3CCCSC3)o2)c(Br)c1 475484628 DXBQSBSEBLKIIJ-AWEZNQCLSA-N 441.347 4.307 5 20 IIBD C[C@H]1N(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCOC1(C)C 478010891 VLYHMTOQJPYDAT-QGZVFWFLSA-N 434.496 4.016 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1cccc(OCC(F)(F)F)c1 478533612 FVWVPGDWEUQMEP-ZDUSSCGKSA-N 428.432 4.375 5 20 IIBD CSc1ccc(C(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)cc1[N+](=O)[O-] 480408683 GMMUPMWEAUCVKO-NVXWUHKLSA-N 427.309 4.354 5 20 IIBD CCn1c(S[C@@H](C)C(=O)NCc2ccccc2Cl)nnc1-c1ccc([N+](=O)[O-])cc1 481360541 UPFMQHUAMVODIX-ZDUSSCGKSA-N 445.932 4.324 5 20 IIBD Cc1c(CNC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)cccc1[N+](=O)[O-] 481473059 MHIMJFQQESOIBT-IRXDYDNUSA-N 439.512 4.002 5 20 IIBD CC(C)n1cc2c(n1)C[C@@H](NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC2 481865371 JCWPUBFJNVEGGO-AWEZNQCLSA-N 442.463 4.157 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2cc(Br)ccc2F)cc1SC 482411780 CKCLVRHOIWHXCB-UHFFFAOYSA-N 429.267 4.157 5 20 IIBD CC(C)(C)OC(=O)[C@H]1CCCN1C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 483693509 AEPMBXOPRQCJRR-LJQANCHMSA-N 425.485 4.153 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCO[C@H](COCC2CC2)C1 486509742 QFLLHKAUUHQPCM-NRFANRHFSA-N 427.457 4.046 5 20 IIBD COc1ccc(CSCC(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)cc1[N+](=O)[O-] 486627102 JCVQXVRZIYPPSU-SECBINFHSA-N 435.449 4.189 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cccc(-c2cnc3nc(O)n(C)c3c2)c1 487046977 OSYWWTMYGBZZOO-UHFFFAOYSA-N 445.479 4.300 5 20 IIBD Cc1cc(C[C@H](C)NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])n(-c2ccccc2)n1 487861775 XSPGXDBPMCQVOA-HNNXBMFYSA-N 441.919 4.215 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)N1CC[C@@H](CN2CCCC2)C1 489506836 BOWFTSBJTZWBTD-KRWDZBQOSA-N 442.947 4.418 5 20 IIBD Cc1c(NC(=O)[C@H](C)Sc2ncnc3c2cnn3Cc2ccccc2)cccc1[N+](=O)[O-] 489792810 PTMSBCCEJIKFHF-HNNXBMFYSA-N 448.508 4.211 5 20 IIBD O=C(c1ccn(-c2cccc(Br)c2)n1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 490433570 OTKDRKFIVDOUJV-UHFFFAOYSA-N 441.285 4.348 5 20 IIBD CC(C)(NC(=O)N[C@@H]1COc2cc(F)c(Br)cc21)c1ccccc1[N+](=O)[O-] 491116580 YLTQMMUBRVNIAC-CQSZACIVSA-N 438.253 4.164 5 20 IIBD COCCOc1ccc(C(F)(F)F)cc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 493721056 BROKCOKGVLMGAL-UHFFFAOYSA-N 437.374 4.232 5 20 IIBD CN(CC(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1)c1ccccc1[N+](=O)[O-] 494223448 MNWIPTNYLIFQLY-INIZCTEOSA-N 433.892 4.271 5 20 IIBD C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CCC[C@H](c2nccs2)C1 494821550 SQQAYNAOZVREPC-HIFRSBDPSA-N 443.554 4.381 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)N1CC[C@@H]([C@@H]2CCOC2)C1 495880881 FAELVLWKNVZRGS-IAGOWNOFSA-N 429.904 4.359 5 20 IIBD COc1ccc(-c2cc(NC(=O)Cn3cc([N+](=O)[O-])nc3C)ccc2OC(F)F)cc1 497468054 SZMKUOUBRMOPOG-UHFFFAOYSA-N 432.383 4.015 5 20 IIBD COc1cccc(C2CCN(C(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)CC2)c1 498437914 FAIDMUQFQKEBIK-UHFFFAOYSA-N 448.523 4.485 5 20 IIBD C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 499212423 PLFIDWBLBYYLTL-LLVKDONJSA-N 441.431 4.024 5 20 IIBD Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1 499557913 JAXGRATWZNOIRT-UHFFFAOYSA-N 426.864 4.068 5 20 IIBD CC(C)c1ccc(C[C@@H](C)NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 500381562 QSQTUDXPXQPUDZ-OAHLLOKOSA-N 439.541 4.359 5 20 IIBD COc1cc(CCC(=O)N(C)Cc2ccccc2[N+](=O)[O-])ccc1OCC(F)(F)F 504063929 YHKBLKGTRVPSFY-UHFFFAOYSA-N 426.391 4.136 5 20 IIBD COc1cccc([C@H](C)N2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC2)c1 505515848 WTOIZPXQZZXCEA-HNNXBMFYSA-N 425.510 4.337 5 20 IIBD C[C@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)[C@H](c1ccccc1)N(C)C 505590617 IERHHYVVPBSEIW-LFVRLGFBSA-N 435.474 4.381 5 20 IIBD COc1ccc(CN(C)[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC(F)F 506145164 BGCRNAZMBVOAFR-GFCCVEGCSA-N 434.399 4.448 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2nnc(C(F)(F)F)s2)cc1[N+](=O)[O-])c1ccccn1 506911475 QYLNMOPINSUIEV-SECBINFHSA-N 438.391 4.286 5 20 IIBD C[C@@H](CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)N(C)c1ccccc1 507052122 LWDMYPZXMLKAJN-ZWKOTPCHSA-N 433.512 4.418 5 20 IIBD O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 507308846 HTTJGTPUBJBXIZ-UYAOXDASSA-N 440.393 4.256 5 20 IIBD Cc1cc(Cl)ccc1OCCCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 510299213 OTXOVWWKFDOETR-UHFFFAOYSA-N 431.920 4.358 5 20 IIBD C[C@H]1CN([C@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c2ccccc2)CCO1 510571524 OWTVMEBZDVQDME-YWZLYKJASA-N 438.509 4.119 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cc(Br)c2c(c1)OCO2 512354315 AHSSSKMUOGMSHQ-UHFFFAOYSA-N 448.254 4.462 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(F)c1N1CCOCC1 512876622 UPSZQLQHRGQHFL-LBPRGKRZSA-N 439.896 4.343 5 20 IIBD COc1ccc(CNc2ccc(N3CCNC3=O)cc2)cc1OCc1ccc([N+](=O)[O-])cc1 512920198 PVIAEQSKRDFQJQ-UHFFFAOYSA-N 448.479 4.324 5 20 IIBD Cc1ccc([C@H]2CCCN2C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)s1 513344773 CFZXWNUXZCQTLK-CQSZACIVSA-N 429.527 4.222 5 20 IIBD COc1ccccc1O[C@H]1CCCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 513410973 IJIPPMDZGPGJOD-ZBFHGGJFSA-N 433.892 4.127 5 20 IIBD C[C@H](N[C@H](C)c1ccc2n[nH]cc2c1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 513423884 AZMPEXAXTYXYGX-OLZOCXBDSA-N 436.497 4.272 5 20 IIBD Cc1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)cc1[N+](=O)[O-] 515280683 JWEWJSVNQTZSJM-JOCHJYFZSA-N 429.432 4.494 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccccc1C(=O)NCCCc1ccccc1 517174202 TXZYDDYYRXAKKQ-UHFFFAOYSA-N 447.491 4.283 5 20 IIBD O=C(N[C@@H](c1c(Cl)cccc1Cl)C1CC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 518630848 CCRXWTQKDSANFP-GOSISDBHSA-N 432.267 4.363 5 20 IIBD O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCc2nc(-c3ccccc3Cl)sc2C1 519557706 JCIASHNLPJDYJY-CQSZACIVSA-N 445.928 4.170 5 20 IIBD COCCN([C@@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 519890934 WRRHDBFTQXLLLM-AWEZNQCLSA-N 446.447 4.320 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(NC(=O)c2ccco2)c(C)c1 520037856 IQERWPJACRWYFV-UHFFFAOYSA-N 429.454 4.112 5 20 IIBD COCCN(C(=O)c1ccc(N(C)C)c(F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 520092901 LREWPHFLVBCJHT-UHFFFAOYSA-N 444.488 4.217 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(I)c1 521271471 QWFHNXJVWYPGAE-SECBINFHSA-N 446.628 4.259 5 20 IIBD Cc1noc2ncc(NC(=O)c3ccn(-c4c(Cl)cc([N+](=O)[O-])cc4Cl)n3)cc12 522879004 KMBSWNQOKIQAML-UHFFFAOYSA-N 433.211 4.184 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCCN(C4CCCC4)CC3)cc2[N+](=O)[O-])C1 523392155 CQARVPFEQSFPNM-OALUTQOASA-N 428.577 4.168 5 20 IIBD O=C(c1cc2occc2s1)N1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 524636823 SPCVGDIXPZIRIF-UHFFFAOYSA-N 436.287 4.127 5 20 IIBD COc1cc(C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)cc([N+](=O)[O-])c1OC 525022216 PPFGJSRXMMMSNS-UHFFFAOYSA-N 443.843 4.492 5 20 IIBD COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCc2c1cccc2[N+](=O)[O-] 525479317 WTNOKUPADQTIAQ-HNNXBMFYSA-N 433.302 4.142 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@@H](c2nc3ccccc3s2)C1 533012454 KTOGHNJFNDINAF-LSDHHAIUSA-N 440.525 4.420 5 20 IIBD COc1cc(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1 534655287 ABYYNFPNISFHLX-UHFFFAOYSA-N 435.480 4.224 5 20 IIBD CC(C)CNC(=O)c1cccc(C[S@@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1 534796000 WNKHUVKAFDUQIP-WJOKGBTCSA-N 441.509 4.085 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)c1ccccc1C 534962403 FLCPBNHZAGFDRL-UHFFFAOYSA-N 430.526 4.266 5 20 IIBD O=C(Nc1cccc(CN2CCSCC2)c1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 539449242 RIYSBWBGZKPHSJ-UHFFFAOYSA-N 434.521 4.458 5 20 IIBD Cc1ccc([C@H](C)NCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] 540477894 YHZZEYKLMABASB-FXAWDEMLSA-N 439.512 4.079 5 20 IIBD CC(C)n1c(SC[C@@H](O)COc2ccccc2[N+](=O)[O-])nc2cc(Cl)ccc2c1=O 541260660 XITQCSUZNXQCEZ-AWEZNQCLSA-N 449.916 4.071 5 20 IIBD Cc1cc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)ccc1-n1nnnc1C(C)C 541344065 BBAOTEPZRRCUEL-UHFFFAOYSA-N 449.496 4.378 5 20 IIBD COc1ccc(-c2nc(C)c([C@@H](C)NC[C@H](O)COc3cccc([N+](=O)[O-])c3)s2)cc1 541646558 QSAYXQWNELDXEK-KDOFPFPSSA-N 443.525 4.126 5 20 IIBD O=C(N[C@@H]1CCN(c2ncccc2F)C1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 542552795 RUAWGQQJYOPCQE-MRXNPFEDSA-N 444.532 4.420 5 20 IIBD C[C@@H](C[C@@H](C)O)NC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 543044672 XBMGMMJOAWYNIR-NWDGAFQWSA-N 425.844 4.138 5 20 IIBD CCc1ccc([C@H](NCc2cccc(CS(C)(=O)=O)c2)c2ccc([N+](=O)[O-])cc2)o1 544355787 NMLLXITUHAVZEV-JOCHJYFZSA-N 428.510 4.174 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H]2CCN(c3ccccc3Br)C2=O)n1 544715992 VPONGLBLXJQUTO-CQSZACIVSA-N 443.257 4.236 5 20 IIBD O=C(N=c1cc[nH]cc1F)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 545440687 RLMYUHAFDWFPMX-UHFFFAOYSA-N 434.786 4.457 5 20 IIBD CC(C)NC(=O)c1ccc(N[C@@H](c2ccc(Cl)cc2)c2ccn(C)n2)c([N+](=O)[O-])c1 545871147 SXCJPKVTBSULPT-FQEVSTJZSA-N 427.892 4.321 5 20 IIBD CC[C@@H](C)Oc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 549491906 HSGFBZOCPGMZJZ-IERDGZPVSA-N 425.485 4.324 5 20 IIBD O=C(NCC[C@H]1C(=O)Nc2ccc(F)cc21)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 549826858 RFDTZIUFFANHDS-QGZVFWFLSA-N 435.411 4.382 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@@H]3c3ccc(Br)cn3)n2)cc1 550683453 ZQNPWTVTVSPPTL-MRXNPFEDSA-N 430.262 4.139 5 20 IIBD O=[N+]([O-])c1cccc(Oc2ccc(-c3noc(-c4cn(C5CCOCC5)nn4)n3)cc2)c1 558508016 HZHYZPAPVBVLDV-UHFFFAOYSA-N 434.412 4.047 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN2CCOC[C@@H]2[C@H]2CCC[C@H]2O)cc1 566709155 FOBSRULBHHVCMK-HMXCVIKNSA-N 432.904 4.402 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2c2nc(-c3ccc(N(C)C)c(F)c3)no2)ccc1[N+](=O)[O-] 575364649 BBLHABDDXBPOEJ-LJQANCHMSA-N 439.447 4.136 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1SCc1nc2ccccc2[nH]1 576011412 FLDQNOMUIZWMKY-UHFFFAOYSA-N 446.554 4.328 5 20 IIBD COc1ccc(CNc2cccc3c2OCC(=O)N3)cc1OCc1ccc([N+](=O)[O-])cc1 583722300 QFCQXJSYXGFJKD-UHFFFAOYSA-N 435.436 4.125 5 20 IIBD COc1cc(CN[C@H]2CC[C@@](O)(C(F)(F)F)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 589938967 IAJWXGDTDXPPLP-JXFKEZNVSA-N 440.418 4.118 5 20 IIBD CCCC(=O)Nc1nc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C)cc2s1 604113803 HJWGXTJSCSDVMC-UHFFFAOYSA-N 434.499 4.052 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cnn(Cc2ccccc2)c1 604185889 WEIPZPLBMYGNSN-UHFFFAOYSA-N 433.390 4.299 5 20 IIBD CN1CCN(C[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)c2ccccc2)CC1 609042238 QAZMDMJKOLFMTO-QFIPXVFZSA-N 436.581 4.402 5 20 IIBD COC(=O)c1sc2ccccc2c1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 609120814 XEBBVIMGWMEQJD-UHFFFAOYSA-N 439.493 4.126 5 20 IIBD COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)COc2ccccc2[N+](=O)[O-])cc1 609129836 JJYLRWRKKCCVMG-UHFFFAOYSA-N 436.464 4.220 5 20 IIBD O=C(Nc1cccc(-c2nccs2)c1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 609501505 VRSYGBSGJKIUKQ-AWEZNQCLSA-N 428.495 4.023 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NC[C@H]1OCCc2ccccc21 609586385 AMSGIRFTBXLEBJ-JOCHJYFZSA-N 439.493 4.122 5 20 IIBD O=C(Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCCO2 609816736 GBFNYRMAKWOAMI-UHFFFAOYSA-N 446.419 4.454 5 20 IIBD C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 609851691 LLHHQRKASMDERX-YPMHNXCESA-N 441.340 4.490 5 20 IIBD COC(=O)c1cc(Br)cc(Oc2ncc(Br)cc2[N+](=O)[O-])c1 611298958 CPMCHIDXQHUGOF-UHFFFAOYSA-N 432.024 4.094 5 20 IIBD COc1cc(OC)c(C2CCN(C(=O)c3cccc(SC)c3[N+](=O)[O-])CC2)c(OC)c1 614442889 KLAHIYFQRABYOL-UHFFFAOYSA-N 446.525 4.362 5 20 IIBD CCOC(=O)C[C@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 617717521 NLFYLBMGSSCBBP-UGSOOPFHSA-N 449.301 4.272 5 20 IIBD O=C(OCc1nc(-c2cc(Br)cs2)no1)c1cc(F)c(F)cc1[N+](=O)[O-] 725935765 YGSDDRGIBJUHQQ-UHFFFAOYSA-N 446.185 4.104 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)CCc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 725978332 LWVXAHYZVZMZGE-NSHDSACASA-N 441.267 4.413 5 20 IIBD COc1ccc(OC)c(NC(=S)/C(=C(/O)c2cccc([N+](=O)[O-])c2)[n+]2ccccc2)c1 726569289 FBTWVYCJLUQTJM-UHFFFAOYSA-O 438.485 4.223 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)OC(C)(C)C)Cc3ccccc32)c1 728003418 FFPLWCQSZPWRQM-UHFFFAOYSA-N 427.457 4.001 5 20 IIBD CCc1cc2c(COC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])cc(=O)oc2cc1O 728332331 KARSUHDDQCFHDH-LLVKDONJSA-N 447.827 4.133 5 20 IIBD C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)OCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 728350447 NXIUSYXOLPPHKH-SFHVURJKSA-N 448.475 4.159 5 20 IIBD CCCC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(OC)cc1 728495696 DHWZSPMPYZLDKG-OAQYLSRUSA-N 427.501 4.101 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1C 730688629 HWMYILMMZSXUDJ-NSHDSACASA-N 445.324 4.202 5 20 IIBD O=C(Nc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2)c1cc(F)cc([N+](=O)[O-])c1 731458972 CZVNBIJLLNMOTJ-UHFFFAOYSA-N 437.383 4.010 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1Cc2ccccc2-c2ccccc2C1 731626143 IABBDUXHBHUKTA-UHFFFAOYSA-N 432.432 4.004 5 20 IIBD CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 731710317 NGULXXAWDKUXDD-UHFFFAOYSA-N 441.440 4.261 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1Oc1ccccc1OCC(F)(F)F 732031904 KQYATASWGXHTJO-UHFFFAOYSA-N 427.303 4.325 5 20 IIBD COC(=O)[C@@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])Cc1ccc2ccccc2c1 733176641 DYFIIXVZCHYUPH-QGZVFWFLSA-N 426.856 4.163 5 20 IIBD CN1CC[C@@H](OC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O 734882508 VTVDVUKKZFPPNR-CQSZACIVSA-N 440.399 4.152 5 20 IIBD O=C(COC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 734917063 LRQYCGHFKNDXDB-QWRGUYRKSA-N 444.312 4.177 5 20 IIBD COc1ccc(-c2noc(CCCC(=O)OCc3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 735800110 AQMDZWUUVMNUQB-UHFFFAOYSA-N 431.832 4.373 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)c1cnc(-c2ccccc2)[nH]1)c1cccc([N+](=O)[O-])c1 736070570 XQQBJGYVTVFVPA-IBGZPJMESA-N 448.479 4.227 5 20 IIBD Cc1nc(-c2cccc(NC(=O)COC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)c2)cs1 736866949 RFAWWPDHOHRICD-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD CC(C)(C)OC(=O)NCc1ccc(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)o1 744157899 ZKOUKVDYUPNPKA-UHFFFAOYSA-N 443.412 4.225 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C)cc2C)c([N+](=O)[O-])cc1OC(F)F 744534166 OIUPMZQQGRRDDM-LBPRGKRZSA-N 438.383 4.006 5 20 IIBD C[C@H](OC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(=O)Nc1ccc(C(C)(C)C)cc1 744742493 NMDUPGFALMPFQB-HNNXBMFYSA-N 436.468 4.262 5 20 IIBD CCC1(CNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCOCC1 744802472 PHKXOHCHWFOHJQ-UHFFFAOYSA-N 445.903 4.437 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 745073829 KYDNZKTXESGYRK-CYBMUJFWSA-N 434.876 4.413 5 20 IIBD CCCC(=O)Nc1ccc(C(=O)COC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 745569249 WIWYKTACIHCEJS-UHFFFAOYSA-N 438.358 4.392 5 20 IIBD C[C@H](OC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 748910463 MWIMHXFURXFFMG-YMRXKLBXSA-N 433.258 4.031 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)c1ccc(F)c(F)c1F)c1cccc([N+](=O)[O-])c1 750609609 BSTHDAILRXIXTH-AWEZNQCLSA-N 436.386 4.254 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H](c3ccccc3Br)C2)c1 750761668 PGOGRQJAVZPNPW-KRWDZBQOSA-N 437.315 4.293 5 20 IIBD Cc1c(C(=O)Nc2cccc(OCc3cscn3)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 751167336 UCSNQINIACZTML-UHFFFAOYSA-N 428.426 4.408 5 20 IIBD Cc1ccn2cc(C(=O)O[C@@H](c3ccc(Br)cc3)C(C)(C)[N+](=O)[O-])nc2c1 753946122 YPCDTAKIUXXVRW-KRWDZBQOSA-N 432.274 4.359 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1OS(=O)(=O)c1cccc(Cl)c1Br 755122579 TVBIXZVEUFMEJM-UHFFFAOYSA-N 427.059 4.432 5 20 IIBD CCOc1cc(C(=O)OCc2noc(-c3cccc(Cl)c3)n2)c([N+](=O)[O-])cc1OC 756349341 KWGUPJNLRABFIB-UHFFFAOYSA-N 433.804 4.063 5 20 IIBD C[C@@H](Cc1cc(Br)ccc1F)Nc1ccc([N+](=O)[O-])cc1N1CCOC1=O 757985615 YCFSNLOERPQBKE-NSHDSACASA-N 438.253 4.496 5 20 IIBD C[C@@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 759999793 YJZGMYHQUCIDTH-OXQOHEQNSA-N 427.501 4.156 5 20 IIBD O=C(NC[C@@H](O)c1cccc(OCc2ccccc2)c1)c1ccc(Cl)cc1[N+](=O)[O-] 761608602 QDVUEDOUMRYVQP-OAQYLSRUSA-N 426.856 4.291 5 20 IIBD O=C(NS(=O)(=O)CC1CCC1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 768004248 VBSUBOLBOLVPPD-UHFFFAOYSA-N 440.930 4.259 5 20 IIBD COc1ccc(CN(C2CCCCC2)S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1OC 768832785 GLBODZXBHJEVIM-UHFFFAOYSA-N 440.543 4.197 5 20 IIBD Cc1nnc(Sc2ccc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)c(C)c2)s1 768880487 CPGGEKCGVNJFNR-UHFFFAOYSA-N 428.542 4.077 5 20 IIBD O=Cc1ccc(OCC(=O)N[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 769161333 HHAVGFSUIGGIMT-WBVHZDCISA-N 436.386 4.257 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(Cc3cnc([C@H]4CCCO4)s3)CC2)c(C(F)(F)F)c1 769315254 IZIJIJCIVKQMTD-QGZVFWFLSA-N 442.463 4.244 5 20 IIBD CC(C)(c1ccccc1)[C@@H](OC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C(F)(F)F 771366312 FGJSEMXGIWFEAL-GOSISDBHSA-N 434.374 4.241 5 20 IIBD Cc1cccc(O[C@@H]2CCCC[C@@H]2NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 772545769 UCMMARLCYQLVPZ-PKOBYXMFSA-N 431.876 4.002 5 20 IIBD COC(=O)Nc1ccc(CNC(=O)COc2ccc([N+](=O)[O-])cc2-c2cccs2)cc1 772874989 IVXPMKPRDLKQPA-UHFFFAOYSA-N 441.465 4.197 5 20 IIBD Cc1cc(Cl)ccc1NC(=O)COC(=O)c1sc(Br)cc1[N+](=O)[O-] 773603945 SPFDPZQMQKQEOP-UHFFFAOYSA-N 433.667 4.176 5 20 IIBD COc1cc(F)c([C@@H](C)N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OC 775416112 FFDCEXFORLUKSD-MNOVXSKESA-N 425.844 4.082 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 775694181 UEOMKBPYIYGZRA-LPHOPBHVSA-N 430.505 4.423 5 20 IIBD O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 776586729 HQVSNPFJZSYFCS-MOPGFXCFSA-N 438.311 4.428 5 20 IIBD CCCCCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 780526320 DDQOBCWAACSPCW-LJQANCHMSA-N 433.552 4.230 5 20 IIBD Cc1cc(COC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)ccc1[N+](=O)[O-] 781170669 WZCBJXQSRBVYIO-UHFFFAOYSA-N 441.490 4.147 5 20 IIBD CC[C@H]1CCCCN1C(=O)[C@H](C)OC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781256945 HXDRUBCABQNLLD-BBRMVZONSA-N 442.462 4.296 5 20 IIBD O=C(OCc1cn(-c2ccccc2Cl)nn1)c1ccc2[nH]c3ccccc3c(=O)c2c1 781519186 QOYUZTAKTRGLST-UHFFFAOYSA-N 430.851 4.272 5 20 IIBD CC1CCC(Oc2cc(CNC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccn2)CC1 781638059 DKVJSZPLYNIUSF-UHFFFAOYSA-N 442.472 4.105 5 20 IIBD CSc1ccccc1NC(=O)[C@H](C)OC(=O)c1cccc([N+](=O)[O-])c1Br 781678058 MXQNYIIYEBVRRZ-JTQLQIEISA-N 439.287 4.263 5 20 IIBD CCc1ccccc1NC(=O)C1=C(C)N(CC)C(=S)N[C@H]1c1ccc([N+](=O)[O-])s1 782246044 VZVJUYGVJDTBIO-SFHVURJKSA-N 430.555 4.383 5 20 IIBD Cc1cccc(NC(=O)COC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1C 783322968 BPMPNIAXEKBWGD-UHFFFAOYSA-N 425.485 4.243 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1Br 785381263 MUJJTUAPFSUBLM-UHFFFAOYSA-N 448.151 4.214 5 20 IIBD C[C@@H](OC(=O)c1c(Cl)ccc(Cl)c1N)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 785614816 LGZNIZCJEQTDTM-SSDOTTSWSA-N 432.647 4.321 5 20 IIBD O=[N+]([O-])c1cc(Br)c(F)cc1OC[C@@H](O)c1cccc(Br)c1 790139653 NOMOMFGHQMQVNL-CYBMUJFWSA-N 435.043 4.371 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCCCC(=O)Nc1ccc(Cl)cc1 790543714 XMZKZEBKYFVAOI-UHFFFAOYSA-N 428.247 4.118 5 20 IIBD COc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790739480 ARAPGKSTKFSZIU-VIFPVBQESA-N 445.230 4.162 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC1(c2ccc(Br)cc2)CC1 790856658 GMBHEESBGAVLJE-UHFFFAOYSA-N 427.657 4.498 5 20 IIBD COc1cc(COC(=O)C(C)(C)Oc2ccc(F)cc2)c([N+](=O)[O-])cc1OC(F)F 791404662 LZFYJXUAFARUBD-UHFFFAOYSA-N 429.347 4.245 5 20 IIBD COc1cc(C(=O)OCC(=O)Nc2ccccc2SC(F)F)cc([N+](=O)[O-])c1C 791693373 XPGLBJKBDNWMQV-UHFFFAOYSA-N 426.397 4.022 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N(Cc1ccc(Cl)cc1)OC 795063169 TZXYBYOQOIVKOW-UHFFFAOYSA-N 438.889 4.107 5 20 IIBD O=C(CCN(Cc1ccccc1)C[C@@H](O)c1ccccc1)Nc1cc([N+](=O)[O-])ccc1F 796357333 NJNYAGYOBPIULF-HSZRJFAPSA-N 437.471 4.298 5 20 IIBD CC(C)(NC(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F)c1ccc([N+](=O)[O-])cc1 797463296 BBKBYIRXBKKNTC-UHFFFAOYSA-N 434.489 4.115 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC[C@@H]1c1ccc(Br)c(F)c1 797573624 ISKCUOGGCTWQGV-MRXNPFEDSA-N 441.228 4.378 5 20 IIBD Cc1cc(OCC(=O)N(Cc2ccccc2)C[C@H](O)c2ccsc2)ccc1[N+](=O)[O-] 797739020 KGPSQKAQICNKOT-NRFANRHFSA-N 426.494 4.106 5 20 IIBD COc1ccccc1-n1ncc(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c1C 798478238 BUZCLGMPFHTOIR-UHFFFAOYSA-N 431.246 4.112 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H](F)c1ccc(C(F)(F)F)cc1 801896309 UIXYUCYGMBKOAZ-OAHLLOKOSA-N 425.294 4.418 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)c1ccc2c(C)cc(=O)oc2c1 805355352 QQZDIJBIDBVDAR-UHFFFAOYSA-N 431.242 4.357 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)c(Cl)cc1Cl 809827886 CXIYMXKUNRIPLQ-LRDDRELGSA-N 445.324 4.348 5 20 IIBD Cc1c(NC(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)c3ccccc32)cccc1[N+](=O)[O-] 810053022 CTIIMALGOCCZJJ-INIZCTEOSA-N 440.500 4.492 5 20 IIBD C[C@@H](N[C@H]1c2ccccc2CC12CCOCC2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 810080198 XMHIFWWHMWMVOM-VLIAUNLRSA-N 429.904 4.259 5 20 IIBD COc1ccc([C@H](O)C2CCN(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)CC2)cc1 812888618 DAJNGODICJTFRQ-QHCPKHFHSA-N 441.528 4.081 5 20 IIBD Cc1cc(-c2cc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)c3c(C)noc3n2)c(C)o1 813328117 HIPVAEWAHFSNMN-UHFFFAOYSA-N 435.392 4.356 5 20 IIBD C[C@H](NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1)c1cccc([N+](=O)[O-])c1 813591516 YTXBGLBMLIHTGS-RDJZCZTQSA-N 432.521 4.277 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCN(Cc2cccc3cccnc23)CC1 814858969 KDNAIIKQYHXDMV-UHFFFAOYSA-N 444.413 4.120 5 20 IIBD COc1ccc(N2C(=O)/C(=C/Nc3ccccc3[N+](=O)[O-])c3ccccc3C2=O)cc1OC 912742364 QPHMIBAYEOVLAM-NBVRZTHBSA-N 445.431 4.252 5 20 IIBD O=C(Nc1ccc(-n2cnc3ccccc32)nc1)c1ccc(Br)c([N+](=O)[O-])c1 914455492 GJYYFWVHXYOKMF-UHFFFAOYSA-N 438.241 4.344 5 20 IIBD O=C(OCc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 914852669 QYMXURZVGQDPSZ-CQSZACIVSA-N 437.279 4.497 5 20 IIBD O=C(OCc1cncc(Br)c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 915860712 GYUZOINUDLYRPC-UHFFFAOYSA-N 435.152 4.050 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cc2ccc(OC(F)(F)F)cc2[nH]1 917333897 RTTGTGBXMRCNBI-UHFFFAOYSA-N 438.314 4.198 5 20 IIBD C[C@H](Oc1ccccc1F)C(=O)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 918635795 UQSUKBPBSNQUKU-FUHWJXTLSA-N 444.459 4.129 5 20 IIBD CC(C)(C)n1ncc(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])c1C(F)(F)F 919201824 UOGRLCSLTZMGTA-UHFFFAOYSA-N 448.785 4.014 5 20 IIBD C[C@@H](OC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1)c1cccc([N+](=O)[O-])c1 919351142 FXIYLMLWDIVJSP-CYBMUJFWSA-N 432.479 4.375 5 20 IIBD C[C@H](Cc1ccc(F)cc1)C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 921114706 MMXAHSUELNKWQR-LLVKDONJSA-N 428.338 4.113 5 20 IIBD O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1 1116394089 JKTCKYLLHQDYAI-UHFFFAOYSA-N 439.435 4.335 5 20 IIBD CCCOc1cc(NC(=O)[C@H]2CC(=O)N(C)c3ccccc32)c([N+](=O)[O-])cc1OCCC 1318087068 JERFTZGVJLQDGJ-INIZCTEOSA-N 441.484 4.261 5 20 IIBD CSCC[C@@H](NC(=O)c1ccc2ccccc2n1)c1nnc(-c2cccc([N+](=O)[O-])c2)o1 1322708529 HEDHVPAVBROGQF-LJQANCHMSA-N 449.492 4.417 5 20 IIBD Cc1ccc(C)c(OCc2nnc([C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)o2)c1 1326081590 OAOIQQUDWKWEFS-AWEZNQCLSA-N 428.470 4.212 5 20 IIBD COc1cccc([C@H]2[C@H](c3nc(-c4cc(C)c([N+](=O)[O-])cc4C)no3)CC(=O)N2C2CC2)c1 1339199833 XJNZMXFTHMBJNT-KNQAVFIVSA-N 448.479 4.490 5 20 IIBD Cc1ncccc1CCC(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1 1785748203 MWDDBHOOOOBLCJ-UHFFFAOYSA-N 448.479 4.272 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)[C@H]3CCC=CO3)CCC2)cc1 1786602771 RJCMCBFVQZVHIE-JOCHJYFZSA-N 449.507 4.354 5 20 IIBD CC(C)(C)CC(=O)Nc1ccc(C2(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)CCC2)cc1 1787658524 CHSZUZPSHCTKJN-UHFFFAOYSA-N 425.485 4.484 5 20 IIBD O=C(Cc1ccncc1)Nc1ccc(C2(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)CCC2)cc1 1790387863 MBACBGHWGYWJQX-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD COc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccn(C)c4)CCC3)cc2)ccc1[N+](=O)[O-] 1792164117 VBMVLLRLWNHVJR-UHFFFAOYSA-N 448.479 4.003 5 20 IIBD CC[C@H](C)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 1793368716 DZMOESNVUOOILV-LLLHUVSDSA-N 429.542 4.498 5 20 IIBD C[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C2)c1ccccc1 1804332587 YCQCURPQTUPIFS-YUOPNXGASA-N 433.508 4.050 5 20 IIBD CC(C)Cc1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccc([N+](=O)[O-])cc3F)C2)cc1 1845315452 FTKSERFBQJHQIB-UHFFFAOYSA-N 439.487 4.063 5 20 IIBD Cc1cccc(C(=O)OCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)c1[N+](=O)[O-] 9022342 FVNLDSSRGGRTGP-INIZCTEOSA-N 439.449 4.092 5 20 IIBD CCNc1ccc(C(=O)OCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1[N+](=O)[O-] 10531058 WUPLINPLFXTUDT-UHFFFAOYSA-N 443.790 4.077 5 20 IIBD O=C(COC(=O)c1ccccc1OCc1ccc(F)cc1)Nc1ccc(F)c([N+](=O)[O-])c1 10587972 XXDNWWHXUKUYHA-UHFFFAOYSA-N 442.374 4.248 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1ccccc1Oc1ccc(C)cc1 11084563 DLIPMWIAWAMRHI-UHFFFAOYSA-N 436.420 4.500 5 20 IIBD COc1ccc(C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)cc1[N+](=O)[O-] 11339824 KSKVQHVZBVEOBN-UHFFFAOYSA-N 442.475 4.445 5 20 IIBD CN(C(=O)COC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1ccc([N+](=O)[O-])cc1 12261065 FHRPJGORSBRBAE-UHFFFAOYSA-N 443.843 4.042 5 20 IIBD COC(=O)c1cc(C(=O)Nc2cc(Cl)cc(Br)c2OC)cc([N+](=O)[O-])c1 14555113 VYABNNKQFHYPOQ-UHFFFAOYSA-N 443.637 4.058 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CSc1nnc(COc2ccc(C(C)(C)C)cc2)n1N 21368307 WWQHMEDJZAEJDD-UHFFFAOYSA-N 443.529 4.078 5 20 IIBD Cc1nc(-c2cccs2)c(CC(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)s1 22207685 OVLMQKJZYAYNFX-UHFFFAOYSA-N 432.479 4.241 5 20 IIBD COc1cc(C(=O)OCC(=O)c2cccn2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 23428622 XENCBQTVLJCAPH-UHFFFAOYSA-N 444.827 4.427 5 20 IIBD CCCNC(=O)c1ccccc1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 23976800 OFZHZADDWYLVMC-UHFFFAOYSA-N 441.431 4.484 5 20 IIBD Cc1c(C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)nnn1-c1cccc([N+](=O)[O-])c1 24498886 HWSKSHBMIKTKKT-UHFFFAOYSA-N 439.435 4.051 5 20 IIBD COc1ccc(-c2nnc(Sc3ccc(F)cc3[N+](=O)[O-])n2C[C@H]2CCCO2)cc1 25369743 OOLZRJPUGUVSEM-MRXNPFEDSA-N 430.461 4.331 5 20 IIBD Cn1c(COc2ccccc2Cl)nnc1SCCC(=O)Nc1ccccc1[N+](=O)[O-] 26369326 MDRMIJUIRDSSHQ-UHFFFAOYSA-N 447.904 4.077 5 20 IIBD CCn1c(S[C@@H](C)C(=O)NCc2cccc(OC)c2)nc2cc3ccccc3cc2c1=O 26581078 DNGPIMWILXOBNF-INIZCTEOSA-N 447.560 4.375 5 20 IIBD COC(=O)c1ccc(OCC(=O)N[C@H](c2ccc(C)cc2)c2cccs2)c([N+](=O)[O-])c1 26667008 MGSQRMBVRLUUGP-OAQYLSRUSA-N 440.477 4.036 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(Cn3nc(Nc4cccc(F)c4)sc3=S)CC2)cc1 27292644 STLLGVZRVMARHY-UHFFFAOYSA-N 446.533 4.245 5 20 IIBD Cc1c(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)nnn1-c1cccc([N+](=O)[O-])c1 31877436 HYBANWHWQQPPOW-UHFFFAOYSA-N 442.407 4.138 5 20 IIBD O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 97406450 NLQOYDQSPLVDQT-QHCPKHFHSA-N 438.447 4.176 5 20 IIBD Cc1ccc(-n2ncc(C(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)c2C(C)C)cc1 107880923 VIGGVKSGZLLKMM-UHFFFAOYSA-N 433.512 4.175 5 20 IIBD O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 247322061 MCPQFZMQZZUCRF-UHFFFAOYSA-N 430.464 4.351 5 20 IIBD O=[N+]([O-])c1c(N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)nc2sccn12 301152022 DJQUHKBFGFFMFH-LBPRGKRZSA-N 430.877 4.391 5 20 IIBD O=[N+]([O-])c1cncc(Br)c1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 301896069 YWHMPGBGOXHHIP-QGZVFWFLSA-N 426.698 4.356 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(N2CCc3ccccc32)CC1 410283611 ADLNUTXREPDYDW-UHFFFAOYSA-N 429.904 4.071 5 20 IIBD Cc1sc(S(=O)(=O)Nc2cc(F)c(Br)cc2Cl)cc1[N+](=O)[O-] 410404058 UGIIFLHAWHGAPK-UHFFFAOYSA-N 429.676 4.321 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 427360567 SWMDIFLGJMFWHZ-UHFFFAOYSA-N 430.289 4.386 5 20 IIBD CCOc1cc(C(=O)N[C@@H](c2ccco2)c2ccccc2OC)c([N+](=O)[O-])cc1OC 431108451 AIJZJCOAZHNOBJ-OAQYLSRUSA-N 426.425 4.123 5 20 IIBD O=C(Nc1ccc(OC2CCCCC2)cc1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437033676 APOIVXNQOJJFRV-UHFFFAOYSA-N 437.496 4.436 5 20 IIBD COc1cc(C(=O)N[C@@H]2C[C@@H]3OCCC[C@H]32)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 438915316 CVSAUBROBISAFX-KHYOSLBOSA-N 432.860 4.346 5 20 IIBD CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)c1 439184695 HLTXBYUUAGIBCU-UHFFFAOYSA-N 442.863 4.270 5 20 IIBD CCCN(C(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21)c1cccc([N+](=O)[O-])c1 441438789 NABSNZOCLLUTGH-INIZCTEOSA-N 432.274 4.226 5 20 IIBD O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCC[C@](O)(C(F)(F)F)C1 442691967 YWGIUXBLEWSMRK-GOSISDBHSA-N 426.416 4.275 5 20 IIBD CCO[C@@H]1C[C@H](NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)[C@H]1Oc1ccccc1 444338722 RJNDIXKQPWOLKB-BPYKYCOYSA-N 446.478 4.175 5 20 IIBD O=C(Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1)c1cnc(O)c([N+](=O)[O-])c1 445144068 RAVKVPYWLOOMPV-UHFFFAOYSA-N 437.799 4.337 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCN(c3cccc4cnccc34)C[C@H]2C)cc1[N+](=O)[O-] 446206978 QSQSQXDSZUYULC-MSOLQXFVSA-N 433.512 4.433 5 20 IIBD Cc1ccc(NC(=O)C(C)C)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 447005309 GREVJCOMFMLJDB-UHFFFAOYSA-N 445.419 4.317 5 20 IIBD COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CSc2ccc([N+](=O)[O-])cn2)cc1 448107963 AIJUOAJOPJKVAI-NRFANRHFSA-N 448.504 4.468 5 20 IIBD O=C(Nc1ccc(OC2CCCC2)c(F)c1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 460441391 WEDSXANITKFOSW-INIZCTEOSA-N 447.488 4.360 5 20 IIBD COc1cc(CN[C@@H]2CCOc3c(F)ccc(F)c32)c([N+](=O)[O-])cc1OCC(F)F 463034853 NUOFFSNTGUYKKV-CYBMUJFWSA-N 430.354 4.139 5 20 IIBD CCc1c(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cnn1Cc1ccccc1 464637771 JJZQQUPVSATQNC-UHFFFAOYSA-N 434.496 4.086 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 466280959 NZGAXGXMJFRIGE-FDBJDISXSA-N 445.947 4.072 5 20 IIBD Cc1c(O)nc(SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)nc1-c1ccccc1 467210766 DRHKZAUZLDGHOO-UHFFFAOYSA-N 438.465 4.156 5 20 IIBD CCC[C@H]1CCCN(C(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 467722481 AKEIRZLZRFFLST-INIZCTEOSA-N 431.514 4.048 5 20 IIBD CC[C@@H](C)c1ccc([C@H](NC(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)C(C)C)cc1 468172960 DTIDUCDJPIWVTH-SPLOXXLWSA-N 447.557 4.191 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3C[C@H](C)O[C@]4(CCO[C@H]4C)C3)cc2[N+](=O)[O-])cc1 468516908 QOBLXKQJZPZGOT-HKARXFIJSA-N 442.537 4.463 5 20 IIBD COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 468808776 CKLKXPCLHBFXNO-UONOGXRCSA-N 442.921 4.010 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCO[C@@H](c2cccc(Cl)c2)C1 469133905 XJMTWNHVFVGJFU-MRXNPFEDSA-N 425.666 4.224 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCCn1cc(Br)cn1 471293565 UWQULMIPWATTHU-UHFFFAOYSA-N 441.351 4.266 5 20 IIBD COCCC1(CNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CCC1 472180015 UQLGWGQLCVUNJR-UHFFFAOYSA-N 427.288 4.024 5 20 IIBD Cc1csc(Sc2ccc(NC(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)c(C)c2)n1 473943400 HGUFVQARSMBHMY-UHFFFAOYSA-N 442.522 4.188 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)c([N+](=O)[O-])c1 475830975 OAQJMGZYVQYKLT-UHFFFAOYSA-N 442.318 4.024 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H](CCO)c2ccccc2)cc1 476092370 UTKAGINNDOKMTB-GOSISDBHSA-N 436.464 4.292 5 20 IIBD Cc1nc(-c2ccccc2NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cs1 477689192 DCMUYBRHOGCVPV-UHFFFAOYSA-N 430.873 4.049 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2occ(C)c2c1 479044778 OYWMDPFATVOGHK-GOSISDBHSA-N 427.482 4.140 5 20 IIBD CCn1c(SCC(=O)N2CCC[C@@H]3CCCC[C@H]32)nnc1-c1ccc([N+](=O)[O-])cc1 481352026 YKTSILOLNAKHFU-MAUKXSAKSA-N 429.546 4.147 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccc2nccn2c1 482265429 JGLKQWCGVSSMFX-UHFFFAOYSA-N 436.449 4.400 5 20 IIBD O=C(NCCC1CCN(CC(F)(F)F)CC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 482370863 VGGAGOIJYKROBH-UHFFFAOYSA-N 427.345 4.008 5 20 IIBD Cc1nc2cc(Cl)c(NC(=O)C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)cc2s1 484252880 YWDIRPVMSJFGQC-UHFFFAOYSA-N 439.280 4.075 5 20 IIBD CN(C)C(=O)Nc1cccc(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 485713068 XKAWYCXCSSWKCZ-UHFFFAOYSA-N 448.479 4.197 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 485850275 WJMXMQRITIZCNN-FQEVSTJZSA-N 425.510 4.295 5 20 IIBD CCOc1ccc(C2(CNC(=O)c3cccc(SC)c3[N+](=O)[O-])CCOCC2)cc1 486231693 LCFLZRLRBUWQER-UHFFFAOYSA-N 430.526 4.194 5 20 IIBD CCOc1cc(NCc2ccccc2NS(=O)(=O)c2ccccc2)ccc1[N+](=O)[O-] 486961074 BQPIZISBJNJWEQ-UHFFFAOYSA-N 427.482 4.406 5 20 IIBD CC[C@H](C)[C@@](C)(O)CNc1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1[N+](=O)[O-] 488151164 RBWRHCPMWASECU-KKSFZXQISA-N 435.546 4.019 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 494415238 YEQFCJPJZLIGEM-OAHLLOKOSA-N 440.529 4.331 5 20 IIBD CC(C)NC(=O)CNC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 500426402 PQZYWDQWODOGEW-UHFFFAOYSA-N 441.431 4.019 5 20 IIBD C[C@H](NC(=O)Nc1cc(F)c(I)c(F)c1)c1cccc([N+](=O)[O-])c1 502636677 SMMZWYVOLHMFKZ-QMMMGPOBSA-N 447.179 4.360 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 503447628 LPXDABKAPWWDCW-CQSZACIVSA-N 449.529 4.389 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(-c2cnc3ccccc3n2)c1 503668668 XLLXPNYPBUPBJR-UHFFFAOYSA-N 434.481 4.478 5 20 IIBD O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 505671191 VHBLBJVUJABQQF-UHFFFAOYSA-N 444.850 4.360 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 508648404 IIDPHGGZQIASDC-KHCICDEESA-N 438.528 4.079 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NC(C)(C)c1cccs1 509453761 ZQTVDNMBNSGYIN-UHFFFAOYSA-N 430.267 4.234 5 20 IIBD COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])c(O)c1)CC2 509825641 LIASLHHIZOJBQB-HSZRJFAPSA-N 434.448 4.106 5 20 IIBD C[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1nc2ccccc2n1C(F)F 515287716 OJYFBTVVUISGMB-GFCCVEGCSA-N 426.383 4.016 5 20 IIBD C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc(NC(=O)c2ccccc2)c1 515737795 LVXIDTNFXGSLKV-CQSZACIVSA-N 443.456 4.026 5 20 IIBD CCc1cccc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)cn2)c1 516319210 UDKNYTYUCHWXQM-UHFFFAOYSA-N 441.465 4.000 5 20 IIBD CC(C)C[C@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N[C@@H](C)c1ccccc1 517714947 REGMNNQRLFJKLP-GHTZIAJQSA-N 435.528 4.276 5 20 IIBD O=C(CSc1ncccc1[N+](=O)[O-])N(Cc1cccs1)c1ccc2c(c1)OCCO2 518521907 QOVFIHKIECNJFR-UHFFFAOYSA-N 443.506 4.148 5 20 IIBD C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(N2CCCC2=O)c1 520503986 SDGJVKNANAYNAF-UONOGXRCSA-N 431.876 4.020 5 20 IIBD C[C@H]1CN(C(C)(C)CNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C[C@H](C)O1 520881347 LGUZHWBMOJGLFJ-IRXDYDNUSA-N 442.516 4.396 5 20 IIBD Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1 523077925 OMYGHJQGDZFUHN-UHFFFAOYSA-N 441.431 4.155 5 20 IIBD C[C@@H](NC(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1)c1cccc([N+](=O)[O-])c1 524153241 RNRSIKTVPLEGET-MRXNPFEDSA-N 439.493 4.451 5 20 IIBD C[C@H](C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc(F)c(F)c1 525116827 QAVHEDXGJPYOOT-LBPRGKRZSA-N 443.372 4.344 5 20 IIBD CC(C)(C)c1nc2ccc(NC(=O)N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)cc2s1 525742541 DEGMWXWIVRHOCW-UHFFFAOYSA-N 440.529 4.251 5 20 IIBD O=C(CN1CCCC[C@@H]1c1nc(-c2ccccc2)no1)Nc1ccc([N+](=O)[O-])cc1Cl 532558337 KKARWIUHLACVOL-GOSISDBHSA-N 441.875 4.464 5 20 IIBD COc1ccc(NC(=O)CCN2CCC(Oc3ccc(C)c(C)c3)CC2)c([N+](=O)[O-])c1 532930096 BWXDJJQGLGDEDK-UHFFFAOYSA-N 427.501 4.092 5 20 IIBD Cc1cc(C(=O)N[C@H](C)c2ccccc2NS(=O)(=O)c2cccs2)ccc1[N+](=O)[O-] 533151033 WVAWNWVWJUMCBB-CQSZACIVSA-N 445.522 4.257 5 20 IIBD O=C1CCCN1c1ccc(Cl)c(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 534817164 OASSMMDKTLFHGF-HXUWFJFHSA-N 431.901 4.263 5 20 IIBD Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C 535824423 DXBFWNADQIMLTF-UHFFFAOYSA-N 427.526 4.270 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N[C@H]2CN(C)Cc3ccccc32)cc1[N+](=O)[O-])c1ccccn1 536033975 BTQOPPYIYDZUMN-ZHRRBRCNSA-N 431.496 4.079 5 20 IIBD CCCN1C(=O)CCc2cc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])ccc21 536937390 LNUBMSQLCSYHJL-ZDUSSCGKSA-N 431.876 4.343 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)CCOc1ccccc1[N+](=O)[O-] 538041497 MDBPKZOGXAWBMK-BFUOFWGJSA-N 437.290 4.019 5 20 IIBD O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 538194750 LFTPAIXMTYRZAF-LEWJYISDSA-N 445.903 4.331 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1 538253121 LMVHTOMBKQTLHB-UHFFFAOYSA-N 445.516 4.223 5 20 IIBD CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 538902582 AAUCLJNZPKGQPE-GTNSWQLSSA-N 430.354 4.181 5 20 IIBD CC(C)(C)c1ccc(C(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)cc1[N+](=O)[O-] 539512445 SDSQJFAGWUOLDT-UHFFFAOYSA-N 426.441 4.486 5 20 IIBD CSc1nnnn1-c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c1 540390313 KAHWUJDPFOJBLF-UHFFFAOYSA-N 430.515 4.045 5 20 IIBD O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 542715493 UOOXZZXMZYNIIS-UHFFFAOYSA-N 425.338 4.278 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CN[C@H](CCO)c3ccccc3Br)co2)cc1 542877786 CCYFUOXHMCIQIC-GOSISDBHSA-N 432.274 4.226 5 20 IIBD CCCc1c(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cnn1-c1cccc(F)c1 544297351 FRRNBNDXYHPUIX-UHFFFAOYSA-N 434.431 4.310 5 20 IIBD Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Sc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C 547232622 XPSAWORHWYQEJB-AWEZNQCLSA-N 440.525 4.393 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCN(c2cccc(Br)c2)CC1 551364776 SYURQPLFWCLVOG-UHFFFAOYSA-N 430.258 4.066 5 20 IIBD COc1cccc(OC(F)(F)F)c1CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 552362518 ZPZJZKKIVBWXCV-LLVKDONJSA-N 430.404 4.299 5 20 IIBD COc1cc(C(=O)NCC(C)(C)Oc2cc(F)cc(F)c2)c([N+](=O)[O-])cc1OC(F)F 552584728 RNQMUUFCOSTGHX-UHFFFAOYSA-N 446.353 4.070 5 20 IIBD CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)c1cccc(C(N)=O)c1[N+](=O)[O-] 553290911 QMNGIFDLTPJQEQ-UHFFFAOYSA-N 425.464 4.072 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CNC(C)(C)c1ccc(Br)c(C)c1 554958646 QZGVGZOQEOLQGS-UHFFFAOYSA-N 436.306 4.138 5 20 IIBD O=C(CN1CCC[C@@H]1c1ccc(Br)cn1)Nc1ccc(Cl)cc1[N+](=O)[O-] 555510175 HAPXYJOPJYFURH-OAHLLOKOSA-N 439.697 4.181 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)NCc2ccc(OC3CCCC3)cc2)cc1[N+](=O)[O-] 556515896 TXUDAJJVMKHJOM-UHFFFAOYSA-N 439.512 4.469 5 20 IIBD COCCOc1ccc(CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])cn1 559731998 BIYXDVCXWPZBMC-UHFFFAOYSA-N 439.493 4.096 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCCC(F)(F)C1 560957331 OMRZEDPEQRAHJG-ZDUSSCGKSA-N 430.473 4.195 5 20 IIBD O=C(N[C@@H](c1cccc(F)c1)C1CCCC1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 561645099 RPDGBPFTAODESZ-JOCHJYFZSA-N 439.487 4.273 5 20 IIBD O=C(NCc1ncn(-c2ccccc2)n1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 561682311 IEWAAUPDTOZTCQ-UHFFFAOYSA-N 437.525 4.388 5 20 IIBD CN([C@H]1CC[C@@H](C(F)(F)F)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 561733298 SKRLQWOJQYNPKO-AOOOYVTPSA-N 434.358 4.355 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(N[C@H](C)c2ccccc2)CCOCC1 563658931 WEINEEBUQQEPIQ-QGZVFWFLSA-N 426.517 4.179 5 20 IIBD C[C@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1nccn1-c1ccccc1 565911894 GWLYMWQRYOXGLH-ZDUSSCGKSA-N 434.374 4.213 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] 566946502 HZXQCXSTZASSIP-IFXJQAMLSA-N 449.429 4.404 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H](c1cncc(Br)c1)C1CC1 574091877 LOFKWIPXYZQAOW-IBGZPJMESA-N 429.274 4.044 5 20 IIBD COc1cc(Cc2noc(CC(C)(C)CC(=O)c3ccccc3)n2)c([N+](=O)[O-])c(OC)c1 579645113 QRDQWNFUWCPSGQ-UHFFFAOYSA-N 439.468 4.428 5 20 IIBD Cc1cc(-c2noc([C@H](C)Sc3nc4cc([N+](=O)[O-])ccc4c(=O)n3C)n2)ccc1F 582937311 MXXFUARWWZHBFZ-NSHDSACASA-N 441.444 4.193 5 20 IIBD Cc1cc(-c2noc(-c3cc([N+](=O)[O-])cc(I)c3C)n2)c(C)o1 583109756 SZJOMWZTFSJPIO-UHFFFAOYSA-N 425.182 4.435 5 20 IIBD C[C@H]1CN(c2cc3ncnc(O)c3cc2[N+](=O)[O-])C[C@@H](c2cccc(C(F)(F)F)c2)O1 583788343 JZPLAGZGPXIRIZ-VOJFVSQTSA-N 434.374 4.229 5 20 IIBD CC1(C)C[C@@H](NCc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)c2cc([N+](=O)[O-])ccc21 585765424 BUNFHHKMENBYDF-PXDATVDWSA-N 448.523 4.332 5 20 IIBD Cc1cc(Cc2noc([C@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)n2)ccc1Br 589377544 ZOBIGCGMPCYCCO-LBPRGKRZSA-N 445.273 4.131 5 20 IIBD O=C(Nc1ncc(CCO)s1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 590371465 VESYQMQJLUVISN-UHFFFAOYSA-N 432.889 4.104 5 20 IIBD COC(=O)c1cc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc([N+](=O)[O-])c1 591763641 UFEZYUGFDWTUQN-UHFFFAOYSA-N 434.408 4.278 5 20 IIBD CC(C)N(Cc1ccccc1F)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 603525473 HODRUBATQAWVDW-UHFFFAOYSA-N 429.477 4.064 5 20 IIBD COc1ccc([C@@H]2CCCN2C(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)cc1OC 603574173 LVGMSUIWWOQKSO-KRWDZBQOSA-N 446.525 4.218 5 20 IIBD O=C(Nc1cc(Cl)ccc1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccco1 604007882 NZFCTPGVLDKPQK-UHFFFAOYSA-N 440.843 4.095 5 20 IIBD COc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 604446889 HMZBDJUDPXUANY-DYVFJYSZSA-N 434.876 4.396 5 20 IIBD O=C(N[C@H]1C[C@@H]1c1cccc(Br)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 608810309 ZKHNLHOUVGKNJD-SJORKVTESA-N 430.302 4.243 5 20 IIBD CC(C)CCN(C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C1CC1 608853122 MBXAUUOLLHRLTF-UHFFFAOYSA-N 431.514 4.046 5 20 IIBD CCN(C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)[C@@H]1CCCC[C@@H]1C 608965215 WHTQCNBREIAKNF-HRAATJIYSA-N 445.541 4.436 5 20 IIBD CCc1noc(-c2ccc(CCNc3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)cc2)n1 609039701 FPTTUOUZJZLEKE-UHFFFAOYSA-N 435.484 4.098 5 20 IIBD CC(=O)N(c1ccc(C)cc1)c1nc(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)cs1 609053527 DJIRZKPLBPCWRC-UHFFFAOYSA-N 434.481 4.351 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC(c2nc(-c3ccccc3)no2)CC1 609143528 HOPIIRIMHGUZIX-UHFFFAOYSA-N 435.484 4.243 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 609730439 JPNUBHWFUFIPLB-MUUNZHRXSA-N 436.555 4.285 5 20 IIBD COC(=O)c1ccc(CNC(=O)[C@@H](C)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 609769412 QZZLUQFSLNSWTA-MRXNPFEDSA-N 449.463 4.291 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(CSc2ccccn2)c1 609847987 QXVJCJJRIQDSHL-QGZVFWFLSA-N 440.529 4.153 5 20 IIBD C[C@H](CCC(C)(C)C)NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 609887536 IWVKTJKVPILTCQ-OAHLLOKOSA-N 433.530 4.340 5 20 IIBD Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 609912940 RNIQSEIYVZGHAZ-OXJNMPFZSA-N 437.521 4.183 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)c1 610226610 RNPCENYKEKZSSS-UHFFFAOYSA-N 446.301 4.157 5 20 IIBD Cc1cc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(C)n1CC(F)(F)F 610305519 UXHYPVSUVUCFJX-UHFFFAOYSA-N 425.407 4.259 5 20 IIBD CCOc1cc(C(=O)N2CC(Cc3ccc(C(F)(F)F)cc3)C2)c([N+](=O)[O-])cc1OC 610660450 QXJSKUUFJABPSP-UHFFFAOYSA-N 438.402 4.336 5 20 IIBD O=C1CCCN1C[C@H](Nc1ncnc2ccc([N+](=O)[O-])cc12)c1cccc(C(F)(F)F)c1 611710021 XFMIZHFFNRBLMJ-SFHVURJKSA-N 445.401 4.332 5 20 IIBD CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@]2(CCc3ccccc32)C1 619848316 IKIOJLUUWOATSN-DEOSSOPVSA-N 433.512 4.188 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Br)c1cccc(C(F)(F)F)c1 725985592 NVVAJSRMLCVKHQ-UHFFFAOYSA-N 432.148 4.416 5 20 IIBD COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 726526819 SIZDUTMHIRVVSB-CQSZACIVSA-N 437.427 4.486 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)O[C@@H](C)c2cnc3ccccc3c2)ccc1[N+](=O)[O-] 726736335 WJGVXKCILWJOFZ-AOMKIAJQSA-N 433.464 4.360 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NC3CCN(C[C@@H]4CCCO4)CC3)c([N+](=O)[O-])c2)cc1 727430942 HDIKFGWNIVLQJW-NRFANRHFSA-N 438.528 4.211 5 20 IIBD O=C(NCc1ccc(Cl)s1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727476378 GXQWBGXVEPVQOC-UHFFFAOYSA-N 448.854 4.360 5 20 IIBD O=C(CSCc1ccc(Cl)cc1)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 729191740 DVMMMNWTUDDHEK-UHFFFAOYSA-N 435.933 4.336 5 20 IIBD O=C(C[C@H]1C=CCC1)Nc1ccccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 730435597 IDNASMASQLXXBJ-ZDUSSCGKSA-N 435.889 4.344 5 20 IIBD Cc1cc(C(=O)O[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c(C)n1Cc1ccccc1 731503674 AYQGISFHNAUGNK-QFIPXVFZSA-N 433.464 4.024 5 20 IIBD O=C(Nc1cccc(F)c1)C1CCN(Cn2c(=S)oc3ccc([N+](=O)[O-])cc32)CC1 738120818 YCWYVYUYVANYHZ-UHFFFAOYSA-N 430.461 4.319 5 20 IIBD CC(C)(C(=O)N1CCO[C@@H](c2ccccc2Br)C1)c1ccc([N+](=O)[O-])cc1 739710860 UWOBTJVBZHTVKL-GOSISDBHSA-N 433.302 4.235 5 20 IIBD CC(C)(C(=O)OCc1cc2c(cc1Br)OCCO2)c1ccc([N+](=O)[O-])cc1 740391611 OKUQRTDAKGRFLL-UHFFFAOYSA-N 436.258 4.150 5 20 IIBD COC(=O)c1oc2ccccc2c1COC(=O)c1ccc([N+](=O)[O-])cc1Br 740421137 BJDJVGINOXPNTL-UHFFFAOYSA-N 434.198 4.247 5 20 IIBD CCN1CCCC[C@H]1C(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 741147952 MRVVMTDEKFPPDN-PMACEKPBSA-N 445.903 4.346 5 20 IIBD Cc1cc(N2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 742425396 DYJVYEOHFZFPBD-SFHVURJKSA-N 427.505 4.196 5 20 IIBD COc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)ccc1OC(F)F 744239062 XSIQVQDCIPZTOT-UHFFFAOYSA-N 449.454 4.371 5 20 IIBD C[C@H](OC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 748909910 SOZNZYUJQZDVSU-JECHBYEQSA-N 433.258 4.031 5 20 IIBD Cc1cccc(NC(=O)c2ccccc2NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c1 749416344 XGALSQQKZULKSV-UHFFFAOYSA-N 429.436 4.144 5 20 IIBD O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cccc(Cl)c1[N+](=O)[O-] 749998679 WCWIPCBEWQAZCW-NSHDSACASA-N 429.782 4.156 5 20 IIBD C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 750682265 AJICMOHQYXMLRH-OLZOCXBDSA-N 426.901 4.405 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 751421348 RUNJXDKSOZDQQX-UXHICEINSA-N 442.516 4.470 5 20 IIBD CC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)c1nc(C(F)(F)F)cs1 752252710 FHFHXBXLLNQKQU-VIFPVBQESA-N 443.856 4.462 5 20 IIBD CCOC(=O)N1[C@H](C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC[C@H]1c1ccc(C)o1 752417299 WDEKWKSXRPNQBV-NJAFHUGGSA-N 429.473 4.344 5 20 IIBD Cc1ccc(C)c(NC(=O)[C@@H](C)OC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1 753431544 JZFCGXWVIHXRBB-CYBMUJFWSA-N 435.274 4.467 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[C@@H](COCc2ccccc2)C1 755011514 JDTCGURSOITKJF-CQSZACIVSA-N 437.265 4.175 5 20 IIBD C[C@@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1cc(F)ccc1N1CCC(O)CC1 755462354 VQHDKEXSZUNWSS-OAHLLOKOSA-N 443.519 4.484 5 20 IIBD Cc1c(NC(=O)[C@@H](C)ONC(=N)COc2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-] 756912835 GSYVCYANUWXHIM-LLVKDONJSA-N 441.271 4.114 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cc(F)c(C(F)(F)F)c(F)c1 758843880 QFLKNGCRAFAOJM-UHFFFAOYSA-N 429.257 4.299 5 20 IIBD COCCC(C)(C)CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 760125093 ZQSBDGBLCOFVHT-UHFFFAOYSA-N 433.892 4.293 5 20 IIBD C[C@H](C(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(C(=O)c2ccccc2)c1 761488797 BEWLJGIQYVETEX-DLBZAZTESA-N 446.459 4.500 5 20 IIBD CSCc1noc(CCc2nc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)no2)n1 761858851 RRMWUAHBSXXUJG-UHFFFAOYSA-N 439.453 4.468 5 20 IIBD CC(=O)[C@H](Cc1c(F)cccc1F)OC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 768599728 WRQSFWANZBVYTK-KRWDZBQOSA-N 447.312 4.171 5 20 IIBD O=C(COC(=O)c1ccc(Cl)nc1C(F)(F)F)Nc1cc(Cl)ccc1[N+](=O)[O-] 769196750 GXRYHGWZUKWTDF-UHFFFAOYSA-N 438.145 4.111 5 20 IIBD O=C(CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)NC[C@H](O)COCC1CC1 771588680 URHIRJNXMGBWRB-NRFANRHFSA-N 429.516 4.451 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cccc(NC(=O)c3ccc4nc[nH]c4c3)c1)CC2 773989453 IQZIFFJMKAYBEM-UHFFFAOYSA-N 441.447 4.235 5 20 IIBD COc1ccc(Cn2cc(C(=O)O[C@@H](c3cccnc3)c3ccccc3[N+](=O)[O-])cn2)cc1 776132027 HFYQKDDEZVTLOS-QHCPKHFHSA-N 444.447 4.190 5 20 IIBD Cn1c([C@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c2ccccc2)nc2ccccc21 777956144 CDLVOLLFYFSORS-HXUWFJFHSA-N 436.418 4.479 5 20 IIBD C[C@@](O)(CCNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1ccccc1 778008151 MFULFFWGBJEVNX-HXUWFJFHSA-N 449.294 4.115 5 20 IIBD Cc1onc(-c2ccccc2)c1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 778607239 YRLBQQVSDOLKKK-LBPRGKRZSA-N 429.816 4.396 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1I)c1nc(C2CC2)cs1 781191201 WQHDWYFFNCRWCV-MRVPVSSYSA-N 444.250 4.451 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])OCc1cccc(SC(F)(F)F)c1 781244455 DVWBMYYBOPAQIJ-UHFFFAOYSA-N 448.806 4.333 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC(c2nc3ccccc3[nH]2)CC1 782164875 WYNQNMIXRLSEBA-UHFFFAOYSA-N 429.274 4.253 5 20 IIBD CC1=C(C(=O)N(C)C)[C@@H](c2ccc([N+](=O)[O-])cc2Cl)NC(=S)N1c1cccc(F)c1 783940941 HTGALHPGTDNUGC-GOSISDBHSA-N 448.907 4.185 5 20 IIBD CC(C)c1ccc(C(=O)N2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)cc1[N+](=O)[O-] 784152428 FNZKLGQHKXXOLU-WDSOQIARSA-N 431.533 4.484 5 20 IIBD COc1cc(OC)c(NC(=O)COC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)cc1Cl 784256539 JEZFFMPSMHOHFS-UHFFFAOYSA-N 436.848 4.184 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)c1ccnc(Cl)c1I 786892924 RSTGNNDDDCJONL-SECBINFHSA-N 446.628 4.474 5 20 IIBD Cc1c(CNC(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)cccc1[N+](=O)[O-] 791016969 LDKRVPDXFNAELS-JOCHJYFZSA-N 433.464 4.187 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1C 791694025 QPMMVTBRIDVNBA-JTQLQIEISA-N 427.240 4.403 5 20 IIBD CCOC(=O)Nc1ccc(Br)cc1NC(=O)c1cccc([N+](=O)[O-])c1OC 793745480 AUZAFSUBVDOMEG-UHFFFAOYSA-N 438.234 4.187 5 20 IIBD O=C(COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Cc1cccc(Br)c1 795529698 MMECZVSLBVMCOF-UHFFFAOYSA-N 446.175 4.345 5 20 IIBD C[C@@H](OC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(N2CCCCC2)cc1 796438765 BITGCQYNZCUADP-QGZVFWFLSA-N 439.512 4.433 5 20 IIBD CC(C)(C(=O)OCc1nc(-c2cccc(Br)c2)no1)c1ccccc1[N+](=O)[O-] 796445620 NBILWQZLKZZWEI-UHFFFAOYSA-N 446.257 4.428 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC(c2cccc(Br)c2)CC1 798794799 FVVKSMWBVUMBOR-UHFFFAOYSA-N 434.246 4.285 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1F)C(C)C 800625034 XFGVYZVPAMPBFN-INIZCTEOSA-N 425.819 4.287 5 20 IIBD O=C1CCCN1C[C@@H](NCc1ccc([N+](=O)[O-])c(F)c1)c1cccc(C(F)(F)F)c1 801527981 QFAROVAIQOGJDO-QGZVFWFLSA-N 425.382 4.206 5 20 IIBD O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 804349708 ZNPWVUIBRZSUNQ-UHFFFAOYSA-N 443.460 4.088 5 20 IIBD CC(C)([C@@H](OC(=O)c1ccc2oc(O)nc2c1)c1ccc(Br)cc1)[N+](=O)[O-] 805915697 KKSDGLWEFRCOPF-HNNXBMFYSA-N 435.230 4.249 5 20 IIBD C[C@H](NC(=O)NC[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 808241226 QVUSPPHVEHSGHE-ULQDDVLXSA-N 434.537 4.286 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 808725194 PPHXKKREFCLHCW-CADBVGFASA-N 435.569 4.196 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H]1CCCN(Cc2ncccn2)C1 810744417 RIQYITMWJGCYEH-QGZVFWFLSA-N 430.530 4.098 5 20 IIBD Cc1ccc(OCc2nc(COC(=O)c3cc([N+](=O)[O-])ccc3N(C)C)cs2)cc1 811521581 KRIWGEGZDYOWEP-UHFFFAOYSA-N 427.482 4.362 5 20 IIBD CCOc1ccc([C@H](O)C2CCN(C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)CC2)cc1 812680564 ZMXPSTLNMYYDER-FQEVSTJZSA-N 434.439 4.058 5 20 IIBD C[C@@H](NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1)c1cccc([N+](=O)[O-])c1 813591552 YTXBGLBMLIHTGS-WBVHZDCISA-N 432.521 4.277 5 20 IIBD CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2cc(F)ccc2F)NC(=O)N1CC1CC1 918074835 FCKHLLMMXGCCSO-FQEVSTJZSA-N 442.422 4.262 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)o2)c1 1323792987 DHKZXVFDKYBNJB-UHFFFAOYSA-N 440.412 4.252 5 20 IIBD COc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccnc4)cc3)CCC2)ccc1[N+](=O)[O-] 1787307128 TUVNFBAETIHJBT-UHFFFAOYSA-N 446.463 4.060 5 20 IIBD Cc1nc[nH]c1C(=O)Nc1ccc(C2(NC(=O)CCc3cccc([N+](=O)[O-])c3)CCC2)cc1 1788773594 NBCIEZOSBYYMBR-UHFFFAOYSA-N 447.495 4.007 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3sccc3Cl)cc2)CCC1)c1n[nH]cc1[N+](=O)[O-] 1789899913 HCPJGYHRAZPZJB-UHFFFAOYSA-N 445.888 4.094 5 20 IIBD Cc1ccc([C@H](C)C(=O)Nc2ccc(C3(NC(=O)c4n[nH]cc4[N+](=O)[O-])CCC3)cc2)cc1 1791344870 CWIYMPLJIZVOMW-INIZCTEOSA-N 447.495 4.178 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)NC1(c2ccc(NC(=O)[C@H]3C[C@@]3(F)Cl)cc2)CCC1 1791669619 JACAQTTUWMHZQN-ZSWIXMFSSA-N 447.850 4.260 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)[nH]n1)c1ccccc1 1820404236 MPIJCORNMLGYNZ-LJQANCHMSA-N 437.431 4.077 5 20 IIBD Cc1cc(CCCC(=O)N2CC3(CCCN3C(=O)C3CCCCC3)C2)c([N+](=O)[O-])cc1F 1842603567 AJZZHDCWTPYUNX-UHFFFAOYSA-N 445.535 4.149 5 20 IIBD CC(C)(C)CCCCCC(=O)N1CCCC12CN(C(=O)/C=C/c1ccc([N+](=O)[O-])o1)C2 1846085864 ZVOIJAGZBTXZCQ-PKNBQFBNSA-N 431.533 4.401 5 20 IIBD O=C(NCc1ccc(COCC(F)(F)F)cc1)c1ccc(Br)c([N+](=O)[O-])c1 11483602 IMHPXVBPRJHRKQ-UHFFFAOYSA-N 447.207 4.366 5 20 IIBD CSc1ccc(C(=O)N2CCN([C@H](C)c3nc4ccccc4s3)CC2)cc1[N+](=O)[O-] 23920696 BBAMYLJYBAWDAK-CQSZACIVSA-N 442.566 4.445 5 20 IIBD COc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 28672873 ZLOYVGZFGLGKAF-INIZCTEOSA-N 441.484 4.024 5 20 IIBD CCOC(=O)c1cc(C(=O)N[C@@H](c2ccccc2)c2ccc(OC)cc2)cc([N+](=O)[O-])c1 39515129 ZZSBGYNCYOTCTC-QFIPXVFZSA-N 434.448 4.300 5 20 IIBD O=C(N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 97406451 NLQOYDQSPLVDQT-HSZRJFAPSA-N 438.447 4.176 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 109250844 TWPNDIXAENWNSK-QGZVFWFLSA-N 447.495 4.356 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3ccccc3-n3ccnn3)cc2[N+](=O)[O-])n1 195634809 UHCPMLZANGXRFJ-UHFFFAOYSA-N 438.494 4.344 5 20 IIBD Cc1cc(C(=O)Nc2ccc(-n3ncc(C(=O)O)c3C(F)(F)F)cc2)ccc1[N+](=O)[O-] 237885984 CQLDHRHNNZXBHF-UHFFFAOYSA-N 434.330 4.058 5 20 IIBD O=C(CN1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1)Nc1ccccc1Cl 301056194 FOTFFGPZMPWVQB-UHFFFAOYSA-N 442.825 4.028 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(Nc2cccc(C[S@@](=O)C3CCCCC3)c2)s1 302143357 FZIFPIAOOHMCEI-HHHXNRCGSA-N 442.584 4.385 5 20 IIBD C[C@@H](Oc1ccc(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1)c1ccccc1 409566823 DJURERZJDRDGHJ-YLJYHZDGSA-N 432.480 4.456 5 20 IIBD Cc1cc(OCC(=O)Nc2ccc(I)cc2Cl)ccc1[N+](=O)[O-] 430415659 PUOAFTSORICDMJ-UHFFFAOYSA-N 446.628 4.179 5 20 IIBD COc1cccc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-] 435531099 JJRWHFMDNCHUQH-OAHLLOKOSA-N 438.267 4.154 5 20 IIBD O=C(Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1)c1cc([N+](=O)[O-])ccc1O 436952267 IXEHBJJJOMJLKF-UHFFFAOYSA-N 427.848 4.191 5 20 IIBD O=C(CCc1ccoc1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 439801512 PEMFQKUBAJUZQM-UHFFFAOYSA-N 425.510 4.193 5 20 IIBD Cc1sc(NC(=O)[C@@H](C)NC(=O)CCc2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 440682333 LKHDBMSZODYLQQ-CQSZACIVSA-N 438.509 4.103 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F 443958240 COXUDHPTDRLJPC-OAHLLOKOSA-N 440.802 4.153 5 20 IIBD CCOc1ccc(C2(CNC(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CCOCC2)cc1 443961411 PLZCWSOWPXLGRN-UHFFFAOYSA-N 427.501 4.480 5 20 IIBD O=C(NCCCNc1cccc(F)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444287738 CRDILUINBVCCDE-UHFFFAOYSA-N 425.410 4.331 5 20 IIBD O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 444290129 QMNRXDSSPZTGNI-OAQYLSRUSA-N 449.869 4.009 5 20 IIBD CCc1n[nH]c(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2C)c1[N+](=O)[O-] 444365457 BVJJJSJKYSIIIN-UHFFFAOYSA-N 427.848 4.347 5 20 IIBD O=C(NCc1ccnc(OC2CCCCC2)c1)c1sc(Br)cc1[N+](=O)[O-] 445199642 YOMJBZLLVDVKOD-UHFFFAOYSA-N 440.319 4.455 5 20 IIBD Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 461399471 FJADZXXWRAZSMD-UHFFFAOYSA-N 440.887 4.014 5 20 IIBD CCc1c(C)sc2nc(Sc3ncc(C)cc3[N+](=O)[O-])n(C[C@@H]3CCCO3)c(=O)c12 463051336 BFNBYOWDUGQNHD-ZDUSSCGKSA-N 446.554 4.271 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSc1nnc(CCCc2ccccc2)o1 463221825 ISMVGMMNRWOWRN-UHFFFAOYSA-N 440.481 4.243 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 464177418 ATBGARBUXKOSMT-LBPRGKRZSA-N 426.498 4.259 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(=O)n(Cc2csc(C(C)C)n2)c1 464720193 OYEXKLXXTRMLEB-UHFFFAOYSA-N 426.498 4.199 5 20 IIBD O=C(NCc1ccccc1)[C@H](c1ccccc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464782147 VIZCWIOIINIKIP-VWLOTQADSA-N 445.519 4.496 5 20 IIBD Cc1c(NC(=O)[C@@H](C)Nc2ccc(Cc3nnc4n3CCCCC4)cc2)cccc1[N+](=O)[O-] 466992094 NTJRGQBPYUPFGR-QGZVFWFLSA-N 448.527 4.251 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1nnn(-c2ccc(Br)cc2)c1C1CC1 470699773 ROWNVNHQOGRXJW-UHFFFAOYSA-N 446.236 4.207 5 20 IIBD O=C(CNc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1 471682256 GPKJTLYMQYLRGM-UHFFFAOYSA-N 440.891 4.284 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@H](CO)c1c(Cl)cccc1Cl 474672690 YUOWYCNBXXUEBD-CQSZACIVSA-N 432.691 4.130 5 20 IIBD O=C(c1ccc(NCCCOc2ccc3ccccc3c2)c([N+](=O)[O-])c1)N1CCOCC1 474781088 VVMYCGUCOSXCHW-UHFFFAOYSA-N 435.480 4.101 5 20 IIBD Cn1c(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])nc2cccc(Cl)c21 475681332 UZRNKXFKHKPHKU-UHFFFAOYSA-N 442.781 4.006 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 477224197 AJKMLONFLNQTAR-CQSZACIVSA-N 432.402 4.033 5 20 IIBD CCCc1[nH]nc(C(=O)N2CCC(COc3ccccc3C(F)(F)F)CC2)c1[N+](=O)[O-] 479019033 CSFSXFZHRXSYAX-UHFFFAOYSA-N 440.422 4.220 5 20 IIBD CC(C)c1c(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cnn1-c1ccccc1Cl 480249250 PNONTLPEPZGTRD-UHFFFAOYSA-N 438.868 4.497 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)c1[N+](=O)[O-] 480737461 OJQFAAUAHLVFOS-SFHVURJKSA-N 431.901 4.328 5 20 IIBD CCOc1ccc(S(=O)(=O)N(C)c2ccc(Oc3nc(C)ccc3[N+](=O)[O-])cc2)cc1 481707654 PJFUVJKTUUGHEE-UHFFFAOYSA-N 443.481 4.314 5 20 IIBD O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 482347146 WVVZANPEZHXYCA-VOIUYBSRSA-N 443.463 4.320 5 20 IIBD O=[N+]([O-])c1ccc(CCN[C@@H](CO)c2ccc(Br)cc2C(F)(F)F)cc1 483228195 MOIOOXLBVKUIGG-INIZCTEOSA-N 433.224 4.242 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCC[C@@H]2C(=O)OC(C)(C)C)cc1[N+](=O)[O-])c1ccccn1 483674386 XMIQHEKMFSDBEB-DNVCBOLYSA-N 440.500 4.109 5 20 IIBD COc1ccccc1N(C(=O)c1ccc([N+](=O)[O-])cc1I)C(C)C 484909259 NGYSHTUVEILLMA-UHFFFAOYSA-N 440.237 4.263 5 20 IIBD CS(=O)(=O)c1ccc(CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)cc1Cl 485409797 QFIGKDBHCUGQKB-UHFFFAOYSA-N 435.864 4.465 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](CN2CCCC[C@H]2C)C1 486745171 WWXNNGRATGEGGF-QZTJIDSGSA-N 435.590 4.060 5 20 IIBD O=C(NCc1ccnc(Oc2ccccc2F)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 487651360 KJLZSIIYAIZUEM-UHFFFAOYSA-N 433.399 4.037 5 20 IIBD Cc1nc(-c2ccc(C)c(NC(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)c2)n[nH]1 488920127 PHJGTRKGLCXYRM-UHFFFAOYSA-N 434.378 4.337 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC1CCN(Cc2cccs2)CC1 489382297 ADGVROYSHOKIEE-CQSZACIVSA-N 437.949 4.105 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](c1ccccc1OC(F)F)C(F)(F)F 491409629 IYLKJFUYIJHJEN-INIZCTEOSA-N 433.333 4.336 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 494613677 GREXDEDHVGHJDI-MRXNPFEDSA-N 446.328 4.429 5 20 IIBD C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CCC[C@H](c2nccs2)C1 494821552 SQQAYNAOZVREPC-ZFWWWQNUSA-N 443.554 4.381 5 20 IIBD CCN(CC)C(=O)Nc1ccc([C@H](C)NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc1 497783235 WRKRFZWNQIJYNJ-INIZCTEOSA-N 448.545 4.125 5 20 IIBD CCOC(=O)[C@H](Cc1ccccc1Cl)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 500870877 XCUMEMILPQWYBK-INIZCTEOSA-N 444.793 4.171 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(NC(=O)c2ccncc2)cc1 501735230 NIFLVSKSISMBIC-OAHLLOKOSA-N 436.493 4.039 5 20 IIBD CC[C@@H]1C[C@@H](C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)CCO1 502936735 UAILXNPMSXGHLS-ZWKOTPCHSA-N 443.569 4.173 5 20 IIBD CNC(=O)Nc1cccc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 506069745 FHMJLFCKHZVDGI-CQSZACIVSA-N 434.456 4.167 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cn(C)nc3C(F)(F)F)cc2[N+](=O)[O-])C1 508331100 HFPVCZIBLOULFV-RYUDHWBXSA-N 425.411 4.082 5 20 IIBD COCCN(C(=O)c1ccc(C(C)=O)s1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 512039223 MFYUHCPXSYWYRC-UHFFFAOYSA-N 431.495 4.276 5 20 IIBD COc1cccc(CCNC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1OC 515674619 UZDWXMWVXZJNNX-IAGOWNOFSA-N 441.528 4.067 5 20 IIBD O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCCN1C(=O)Cc1ccccc1[N+](=O)[O-] 516503883 KRJYAHPGEMQTNA-SFHVURJKSA-N 436.295 4.464 5 20 IIBD O=C(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 517797072 IJEQHNMLWMLPBL-LJQANCHMSA-N 447.476 4.491 5 20 IIBD COc1ccc([C@@H](C)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1Br 517912854 NRKLRJMJMKLHAK-SECBINFHSA-N 449.710 4.059 5 20 IIBD Cc1sc(NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])nc1-c1ccc(F)cc1 520817573 DWBSPODIOGQINN-UHFFFAOYSA-N 448.863 4.188 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 523360516 XMAFHHJNQXGHMF-UHFFFAOYSA-N 431.495 4.326 5 20 IIBD C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)NC(=O)C1CCCCC1 524167878 WRSPPVVOWMBFGX-INIZCTEOSA-N 437.496 4.239 5 20 IIBD O=C(Nc1ccc(NC(=O)c2cccs2)cc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 524451319 XDYMLVMHKPAMJA-UHFFFAOYSA-N 433.449 4.347 5 20 IIBD O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 525113413 UCRSDPUWMBIKSL-QHCPKHFHSA-N 439.431 4.244 5 20 IIBD COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 525492921 JSRRWEBIAUSDRA-CQSZACIVSA-N 448.903 4.369 5 20 IIBD COc1ccc(-c2nc(C(=O)N3CCCc4c3cccc4[N+](=O)[O-])cs2)cc1OC 533122613 QTAMBBXBMWJSHS-UHFFFAOYSA-N 425.466 4.329 5 20 IIBD Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 535190385 KLFPVLBRLDKDJU-MRXNPFEDSA-N 443.301 4.320 5 20 IIBD COc1cccc(OC)c1OC1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 535561706 WTZBDRFPINTUTB-UHFFFAOYSA-N 439.468 4.310 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1cc(F)cc2cccnc12)c1ccccc1[N+](=O)[O-] 536596116 WEZHDMFWLIYAPW-SFHVURJKSA-N 425.416 4.095 5 20 IIBD Cc1ccc(NC(=O)N2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)cc1Cl 536748654 ALSOBRKAFUSALM-UHFFFAOYSA-N 429.864 4.048 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 536938284 FQRUECYXXHYAJF-HNAYVOBHSA-N 443.258 4.456 5 20 IIBD COC(=O)[C@@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)Cc1cccc2ccccc12 541732144 WYYUNLWSXOIOIZ-MAUKXSAKSA-N 438.455 4.139 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 543513601 STLMOXQMPDTCPM-ZDUSSCGKSA-N 440.500 4.406 5 20 IIBD C[C@@H](C(=O)Nc1ccc(Sc2nncn2C)c(Cl)c1)c1ccc([N+](=O)[O-])cc1F 543553106 LOBJWAYCQIOTEB-SNVBAGLBSA-N 435.868 4.409 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(Cc3ccc(Oc4ncccn4)cc3)no2)ccc1NC1CC1 544356451 XSGRQSPBIRSRAY-UHFFFAOYSA-N 430.424 4.392 5 20 IIBD C[C@H](C(=O)N1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1)c1ccc([N+](=O)[O-])cc1F 544493609 XGOVLZQDYPBFJM-LSDHHAIUSA-N 446.454 4.037 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccn(C)n1 546526075 KVGLQSARLGIRCK-BUXKBTBVSA-N 449.294 4.308 5 20 IIBD O=[N+]([O-])c1ccc(-n2ccc(-c3nc(Cc4ccc(Oc5ncccn5)cc4)no3)n2)cc1 547094269 NDMFATRCVFCZES-UHFFFAOYSA-N 441.407 4.004 5 20 IIBD COc1cc(CNC2(c3cccc(Br)c3)CCOCC2)c([N+](=O)[O-])cc1F 547343817 XZYFJEQIVYGEDJ-UHFFFAOYSA-N 439.281 4.301 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2-n2cc(Br)cn2)c1 549195390 YUGAFCWVQLPBDA-UHFFFAOYSA-N 431.246 4.194 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(C4CCC(OC[C@@H]5CCCO5)CC4)n3)c2c1 551395309 FGFKRYHTLLXDMN-UYJHFMRCSA-N 426.473 4.272 5 20 IIBD C[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@H](c2cccc(C(F)(F)F)c2)O1 553723476 VXUSYWZVZUZHDA-AUUYWEPGSA-N 438.402 4.371 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1 554405063 HIPGRNGVIKSNKX-UHFFFAOYSA-N 448.479 4.319 5 20 IIBD CC[C@H](c1ccccc1OC)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 557858944 IAXRJJTUSYDJCL-OAHLLOKOSA-N 443.319 4.138 5 20 IIBD C[C@H](CN([C@@H](C)CO)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccccc1 557861118 LUNNDRKYVBPDJV-OLZOCXBDSA-N 447.340 4.077 5 20 IIBD CC(C)(NC(=O)c1cc(I)c(F)cc1F)c1ccccc1[N+](=O)[O-] 557970607 XBRXGTOCYGOYIA-UHFFFAOYSA-N 446.191 4.143 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H](C)c3ccnc(O)c3)c([N+](=O)[O-])c2)c(C)c1 558952557 OLXAGVNXAHCFSY-HNNXBMFYSA-N 442.497 4.286 5 20 IIBD C[C@H](C(=O)N1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1)c1cccc([N+](=O)[O-])c1 562395377 YFFPVENOEHMVMN-HNNXBMFYSA-N 430.892 4.118 5 20 IIBD C[C@]1(CNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])OCCc2sccc21 568337674 VUTYVOMMRZESSW-QGZVFWFLSA-N 446.472 4.372 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2nc(-c3cccs3)nn2C)cc1[N+](=O)[O-])c1ccccn1 568933040 CKJMMVRHXLYYRA-CYBMUJFWSA-N 449.496 4.272 5 20 IIBD CCCN(C(=O)COc1ccc(Br)cc1C(C)=O)c1cccc([N+](=O)[O-])c1 574075632 MHQNOHKMJJVREH-UHFFFAOYSA-N 435.274 4.382 5 20 IIBD C[C@H](CCc1ccc(O)cc1)NCc1cc(I)cc([N+](=O)[O-])c1 580635697 CUGRBVVNQWSATF-GFCCVEGCSA-N 426.254 4.016 5 20 IIBD CC[C@H](C)c1ccc(N(Cc2nc(C)no2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 583401862 FOESMQPYTOEUNH-AWEZNQCLSA-N 430.486 4.195 5 20 IIBD CC[C@H](c1ccccc1)S(=O)(=O)Cc1cc(I)cc([N+](=O)[O-])c1 589550596 NOVFAJJDNPQFQZ-MRXNPFEDSA-N 445.278 4.266 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCN(c2ccc(Cl)cc2)CC1 603756533 UFDGJQJXSQOMQD-UHFFFAOYSA-N 443.809 4.152 5 20 IIBD C[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1)c1cccc([N+](=O)[O-])c1 603966357 MREXABNUJDXCOC-FXAWDEMLSA-N 431.492 4.478 5 20 IIBD Cc1cccc(C)c1OCCCNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl 608830848 RJQNJOALCRKOTF-UHFFFAOYSA-N 428.876 4.292 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCO[C@H](c4ccc(F)c(F)c4)C3)cc2[N+](=O)[O-])CC1 608964697 MVKGUGWBHSTECA-QFIPXVFZSA-N 445.466 4.323 5 20 IIBD CC(=O)c1ccc(C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)cc1 609502127 PGNRZWILEXLBBL-UHFFFAOYSA-N 449.532 4.484 5 20 IIBD CCNC(=O)c1cccc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c1 609854046 HJFIPEMJJPDRHJ-UHFFFAOYSA-N 448.266 4.089 5 20 IIBD Cc1ccc(N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OCC1CCOCC1 610162624 MYWODZOPVJLKLR-KRWDZBQOSA-N 427.501 4.456 5 20 IIBD COc1ccc2c(c1)OCC[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 610234101 FOLIAUDYTDPHLH-QFIPXVFZSA-N 433.464 4.469 5 20 IIBD COc1cc(CN(C)C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OC(F)F 610289306 JXZYAPTVYUWHRX-UHFFFAOYSA-N 434.317 4.496 5 20 IIBD Cc1ccccc1CN1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 610572036 GHKSCSKJLZWHRC-UHFFFAOYSA-N 432.318 4.014 5 20 IIBD CCCOc1cc(NC(=O)N2CCOC[C@H]2c2ccco2)c([N+](=O)[O-])cc1OCCC 614128911 KPDMDJIUUNCNJE-KRWDZBQOSA-N 433.461 4.371 5 20 IIBD O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCCOc2ncc(C(F)(F)F)cc2Cl)n1 618571960 ZVYSELRCQRQVBL-KBPBESRZSA-N 433.818 4.011 5 20 IIBD CC[C@H](Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)c1ccccc1OCC(=O)NC 619527525 HADQTDUZPAHPGU-SFHVURJKSA-N 438.459 4.484 5 20 IIBD CC(C)(C)OC(=O)NC1(CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CCCCC1 725789481 FYJBAWKVYJPQNU-UHFFFAOYSA-N 446.548 4.470 5 20 IIBD CCCCCCN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)c1nc(-c2ccccc2)cs1 726433297 PIOURNHMABUDJT-UHFFFAOYSA-N 440.525 4.494 5 20 IIBD Cc1ccccc1-c1nc(C(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cs1 727562004 OXUMQVSKBXFNMJ-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 730229568 HGOJINYXSWLDGF-QGZVFWFLSA-N 426.473 4.078 5 20 IIBD CCN1C(=O)N[C@@H](c2cc([N+](=O)[O-])c(F)cc2F)C(C(=O)Nc2ccc(F)cc2)=C1C 731425027 WHVIJPKIAUAVKH-SFHVURJKSA-N 434.374 4.011 5 20 IIBD CS(=O)(=O)c1cc(-c2nc(C(c3ccccc3)c3ccccc3)no2)cc([N+](=O)[O-])c1 731788272 REMWCCSFWMHTFE-UHFFFAOYSA-N 435.461 4.229 5 20 IIBD C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)c1nc2ccccc2s1 734156968 YHBGFCCJZYNSNQ-VIFPVBQESA-N 442.316 4.007 5 20 IIBD Cc1cccc(Oc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cn2)c1C 734416878 WRVCVPPDBCQLFM-UHFFFAOYSA-N 444.425 4.108 5 20 IIBD CCN(Cc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c1)C(=O)C(F)(F)F 735429862 XXYKDPYVZKCQHI-UHFFFAOYSA-N 443.809 4.340 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(I)o1 736160251 NIPKJNABJIMHTR-HWKANZROSA-N 432.601 4.406 5 20 IIBD O=C1OCCN1c1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2-c2cccs2)cc1 740889876 DPARUMLCUOXWLD-UHFFFAOYSA-N 446.462 4.048 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@@H](C)Oc3cccc(C)c3)CC2)ccc1[N+](=O)[O-] 744201649 PTLFMUNQQNKEJW-QGZVFWFLSA-N 428.485 4.281 5 20 IIBD C[C@H]1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CCN1Cc1ccccc1 744427276 PPKBKYOIUGZAAM-DLBZAZTESA-N 430.936 4.172 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)OCC(=O)C1CCCC1 744591189 QGWAPXQCRQGJCQ-UHFFFAOYSA-N 433.464 4.293 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 745386689 XMWKVSNDVLENDJ-JTQLQIEISA-N 441.318 4.014 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC(OCc2cccc3ccccc23)C1 746013629 HVCQCSNYQPQPMP-UHFFFAOYSA-N 431.492 4.389 5 20 IIBD O=C(Nc1ccccc1F)C(=Cc1ccc([N+](=O)[O-])c(O)c1)C(=O)Nc1ccccc1F 748148525 ONEWCZHLZULNMG-UHFFFAOYSA-N 439.374 4.239 5 20 IIBD Cc1ccc(-n2c(SC[C@H](O)c3cccc([N+](=O)[O-])c3)nnc2-c2ccccn2)cc1 749689635 VENDLBWUFKTSLT-FQEVSTJZSA-N 433.493 4.372 5 20 IIBD O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCO[C@H](c2ccc(Br)cc2)C1 749924063 IUDMHKHWLKVLBQ-HNNXBMFYSA-N 425.666 4.224 5 20 IIBD COCCS(=O)(=O)c1ccc(C(=O)OCc2nc3ccccc3c3ccccc23)cc1 750147512 ADIIOPVXJFQJMY-UHFFFAOYSA-N 435.501 4.165 5 20 IIBD C[C@@H](OC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1nc2ccc(Cl)cc2n1C 750216299 PNBQFKBABYFPFL-GFCCVEGCSA-N 425.832 4.239 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@H](C3(C)OCCO3)C2)cc1 753333704 MPZVXMPZSUXJHW-INIZCTEOSA-N 442.468 4.011 5 20 IIBD CC[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)Oc1ccccc1F 755014623 BQDKHXSIJWFOCD-NSHDSACASA-N 429.217 4.223 5 20 IIBD C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1nc(C2CCCCC2)no1 755020022 SWWBAOFYPKEPHY-SECBINFHSA-N 441.257 4.418 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCCCC[C@@H]1C[C@H](O)c1ccccc1 755985386 ZALIWECNBJAFGZ-KNQAVFIVSA-N 439.512 4.261 5 20 IIBD O=C(COC(=O)c1c(F)cc(Br)cc1F)Nc1ccc([N+](=O)[O-])cc1Cl 756605661 XYOHUGHYJAOROX-UHFFFAOYSA-N 449.591 4.084 5 20 IIBD C[C@@H](OC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 756749296 LCUNOFGCOANQBY-ANRSDYALSA-N 447.658 4.159 5 20 IIBD C[C@@H](Cc1cccc(Br)c1)NC(=O)c1cccc([N+](=O)[O-])c1Br 758158261 GCGBLZHXAHOBLD-JTQLQIEISA-N 442.107 4.481 5 20 IIBD Cc1cc(F)cc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)c1[N+](=O)[O-] 758398140 ZTKBPOGOXKIVKH-UHFFFAOYSA-N 442.472 4.255 5 20 IIBD CC(C)[C@H](NC(=O)OC(C)(C)C)c1noc(-c2ccn(-c3ccccc3[N+](=O)[O-])n2)n1 762020845 BPEWKNGJLJHVSD-INIZCTEOSA-N 428.449 4.052 5 20 IIBD CC(C)(C)OC(=O)NC1(c2noc(-c3ccn(-c4ccccc4[N+](=O)[O-])n3)n2)CCCC1 763304159 JFWGTJHBLPCNAK-UHFFFAOYSA-N 440.460 4.125 5 20 IIBD Cc1ccc(S(=O)(=O)N(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c2ccc(O)cc2)s1 763954712 RNCYSWMNXQOMBZ-CQSZACIVSA-N 446.506 4.196 5 20 IIBD CCOc1cc(NC(=O)NC[C@@](C)(O)c2cccc(Cl)c2)c([N+](=O)[O-])cc1OCC 765114868 MLDBLYUHYPVXSB-HXUWFJFHSA-N 437.880 4.075 5 20 IIBD CC[C@@H](C)CS(=O)(=O)Oc1ccc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1OC 767231189 SOVOPEJINKAHJY-DNVCBOLYSA-N 446.525 4.340 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1cc(O)cc(O)c1 768594790 ZWBGBWAQLAXKHR-IBGZPJMESA-N 442.811 4.196 5 20 IIBD CN(Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H](c1cccc(F)c1)c1cnn(C)c1 769231731 CZFZKJGXVBDVKH-LJQANCHMSA-N 433.281 4.451 5 20 IIBD C[C@@H]1CC(=O)Oc2cc(OS(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])ccc21 770444438 CSIWBUBWDDUPGV-MRVPVSSYSA-N 432.237 4.082 5 20 IIBD C[C@H](OC(=O)c1ncoc1-c1ccc(F)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 770474739 WHKXKNGAIXMGHJ-JTQLQIEISA-N 433.779 4.226 5 20 IIBD O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 772726370 GXYVWJXXIYRYEF-IBGZPJMESA-N 439.295 4.395 5 20 IIBD COc1cc(/C=C(/C(=O)NCCOc2ccc([N+](=O)[O-])cc2)c2ccccc2)ccc1O 772948429 QVUOGVXYNAPVFN-RCCKNPSSSA-N 434.448 4.045 5 20 IIBD CC(C)(C)OC(=O)N1Cc2ccc(CN[C@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)cc2C1 774368507 PBPXJPZZWLTDPX-VQTJNVASSA-N 441.532 4.316 5 20 IIBD O=[N+]([O-])c1ccc([C@H](O)CSc2nnc(-c3ccc(F)cc3)n2Cc2ccco2)cc1 776277224 LXAFFTLHMRKYGG-LJQANCHMSA-N 440.456 4.459 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nn1-c1ccc(F)cc1 777154506 XXJNBEZPUCDUEW-LBPRGKRZSA-N 446.822 4.065 5 20 IIBD CC(C)(C)S(=O)(=O)Cc1cccc(NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 777686716 CXCJZNUQAJYXIK-UHFFFAOYSA-N 431.558 4.389 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 780947786 KFDCPTWFYHDLHN-WBVHZDCISA-N 435.524 4.199 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1I)c1ccc(Cl)cn1 781714258 QXIOJNFGTLGCCR-MRVPVSSYSA-N 432.601 4.166 5 20 IIBD Cn1cc(-c2ccc(F)c(C(=O)O[C@H](c3cccnc3)c3ccccc3[N+](=O)[O-])c2)cn1 782427219 UXRILBWULCIBNZ-JOCHJYFZSA-N 432.411 4.476 5 20 IIBD Cc1ccc(C(=O)C2CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC2)c(C)c1 782473517 AQLFZDMUGVLOTC-UHFFFAOYSA-N 427.476 4.274 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])c(F)c1)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 783054525 ATSJBZXHBJQVER-OAQYLSRUSA-N 436.395 4.033 5 20 IIBD COc1cc(OC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc(OC)c1OC 784678023 UKADDXWVGQXYSH-UHFFFAOYSA-N 430.457 4.076 5 20 IIBD CCOc1ccc([C@H]2CCCN2C(=O)COc2cc([N+](=O)[O-])ccc2Br)cc1 786745471 HPQKFWROBUTXHL-GOSISDBHSA-N 449.301 4.499 5 20 IIBD Cc1ccc(-c2nnc([C@@H](C)OC(=O)COc3ccc([N+](=O)[O-])c4cccnc34)o2)cc1C 786783991 YRSJIVDSEDFMEI-OAHLLOKOSA-N 448.435 4.493 5 20 IIBD Cc1cccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2)c1 789587188 FMJODKFYMGZOQW-UHFFFAOYSA-N 427.438 4.207 5 20 IIBD C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)c1nnnn1C1CC1 791227241 JNPVFYYVHPZQLJ-NSHDSACASA-N 444.904 4.212 5 20 IIBD CCS[C@@H](C)c1noc(COC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)n1 792475893 TYUVUUMZVODWOP-VIFPVBQESA-N 430.280 4.220 5 20 IIBD CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)c3ccc(F)cc3[N+](=O)[O-])cccc21 805309394 OFFGNRTYNPPQOM-UHFFFAOYSA-N 429.448 4.352 5 20 IIBD O=C(Nc1ccc(F)cc1OC1CCOCC1)c1cccc([N+](=O)[O-])c1Br 808897772 APQJAFSZURJVFT-UHFFFAOYSA-N 439.237 4.307 5 20 IIBD CCCCC[C@@](C)(CC)c1nc(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)no1 809464147 AMVDGBUTTVIYNJ-OAQYLSRUSA-N 432.477 4.178 5 20 IIBD CCCOc1ccc(NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c(C)c1 810393582 QBHWLBGGQMAKOA-UHFFFAOYSA-N 436.262 4.032 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@@H]1CCCCN(Cc2ccccc2)C1 810983369 RUTQMTIYWIZJIU-KRWDZBQOSA-N 433.911 4.348 5 20 IIBD O=C(CCC(=O)N1CCc2sccc2C1)OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811085552 RHNSUZJPULJLBC-UHFFFAOYSA-N 443.308 4.371 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCCN3c4ccccc4C[C@H]3C2)CC1 811614538 KYZDPTXBKNALCS-NRFANRHFSA-N 434.540 4.108 5 20 IIBD CC(C)(NS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1)c1ccccc1[N+](=O)[O-] 813756629 IBWZYOMLGPABQV-UHFFFAOYSA-N 438.452 4.338 5 20 IIBD O=C(CCc1nnc(-c2ccsc2)o1)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F 815186057 PJDIBHDXLKHYPM-UHFFFAOYSA-N 427.360 4.401 5 20 IIBD COc1ccc(Cl)cc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 815510453 XVENTUQWUQFXTP-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD C/C=C/c1ccc(OC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c(OC)c1 900699338 DDVMWVIXJNWBAM-SNAWJCMRSA-N 426.454 4.135 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 915301866 NPDALPFRZMZVME-UHFFFAOYSA-N 438.406 4.152 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@H](C)N2CCc3sccc3C2)CC1 917099905 DPEZRNFQXFXBSF-KRWDZBQOSA-N 442.585 4.069 5 20 IIBD Cc1occc1-c1nn(CN(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)c(=S)n1C 917450837 OTNHWEVGTLJQHU-UHFFFAOYSA-N 441.435 4.450 5 20 IIBD Cc1c(C(=O)N(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 918383425 YOHRNPQNYGPHAK-UHFFFAOYSA-N 441.419 4.045 5 20 IIBD C[C@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc(NC(=O)c2ccccc2)c1 918893549 KQEXPMRATCVSED-AWEZNQCLSA-N 434.404 4.494 5 20 IIBD O=C(OCCCOc1ccc([N+](=O)[O-])cc1)c1ccc(=O)n(Cc2ccccc2Cl)c1 919036442 SXZBXHNVJBYWLZ-UHFFFAOYSA-N 442.855 4.084 5 20 IIBD COc1cc(C(=O)OCc2cc(F)ccc2F)c([N+](=O)[O-])cc1OCc1cscn1 920652738 MWKUVGVTFKWNML-UHFFFAOYSA-N 436.392 4.274 5 20 IIBD Cn1cccc1-c1nnc(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)o1 1118065688 YGLKJRUVJSJEID-UHFFFAOYSA-N 426.436 4.427 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 1319725173 XJEDZWNNHGNMRL-UHFFFAOYSA-N 448.932 4.350 5 20 IIBD CC(C)(C)OC(=O)NCC1(CC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCCCC1 1320570545 WOTGKSOJHONDHX-UHFFFAOYSA-N 431.533 4.345 5 20 IIBD COc1cc(OCC(=O)Oc2cc(F)c(Br)cc2Cl)ccc1[N+](=O)[O-] 1322729052 KFWHSHJYXHBJRO-UHFFFAOYSA-N 434.601 4.143 5 20 IIBD O=[N+]([O-])c1ccc(N2CCOCC2)c(-c2nnc(-c3cc(F)ccc3Br)o2)c1 1323012206 ZSICOFVLTBYLGI-UHFFFAOYSA-N 449.236 4.050 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1[N+](=O)[O-])c1ccccn1 1323735047 OBFOJKIPBNOMNY-HNNXBMFYSA-N 447.451 4.270 5 20 IIBD Cc1nc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c2c(-c3ccccc3)csc2n1 1337327213 ORFHLLDZHGSTTE-UHFFFAOYSA-N 432.509 4.297 5 20 IIBD COc1ccc(NC(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c([N+](=O)[O-])c1 1345729622 NCUJYBWYEHERJN-KRWDZBQOSA-N 425.363 4.228 5 20 IIBD C[C@@H](C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc([N+](=O)[O-])o3)CCC2)cc1)n1cccc1 1791784063 HAJHFQZREQOVTM-KAMXEHQASA-N 448.479 4.398 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@H]3CCCSC3)cc2)CCC1)c1ccc([N+](=O)[O-])o1 1792283118 FEVHCCIUCUBLQZ-AWEZNQCLSA-N 429.498 4.079 5 20 IIBD Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C3)c(C)c1 1799599393 KCIMQLPNITXCEN-LGMYYNHISA-N 433.508 4.177 5 20 IIBD C[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CSc2ccccc2[N+](=O)[O-])C3)CC1 1803224488 VSCSJMFEYIOWOO-YCEIQTCASA-N 445.585 4.151 5 20 IIBD Cc1cc(F)ccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(F)ccc([N+](=O)[O-])c1C)C2 1803930598 CFLHBGUEVXHRCX-BJWYYQGGSA-N 443.450 4.055 5 20 IIBD CC(C)=CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2)n[nH]1 1814376011 IXIJBGFDHQMRKP-HXUWFJFHSA-N 439.516 4.299 5 20 IIBD CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3ccccc3[N+](=O)[O-])[nH]n2)CCC1 1814406062 JYEQAHXPKOYEAX-VYENPZKTSA-N 437.500 4.214 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])N1CCC([C@H]2CCCCN2C(=O)C2CCC2)CC1 1826251225 VRLMRRAXKXHUTQ-LJQANCHMSA-N 445.585 4.107 5 20 IIBD Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@]3(C)C[C@@H]3C)CC2)cc1[N+](=O)[O-] 1830222703 OSAYBCBDXWMYCN-CTIGNXTNSA-N 441.572 4.112 5 20 IIBD CCc1ccc(C(=O)N2CCCC23CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)C3)cc1 1844958793 CXWLXHCIQBLYRA-UHFFFAOYSA-N 441.915 4.250 5 20 IIBD CC(C)(Cc1ccccc1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=C/c1ccccc1[N+](=O)[O-] 1847507029 VYTPOJODHNQVBC-VMLKDKMFSA-N 447.535 4.079 5 20 IIBD CC(=O)CCc1ccc2oc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3C)c(C)c2c1 8807218 ATZNKSSZPBAXGO-UHFFFAOYSA-N 438.436 4.275 5 20 IIBD CCn1c(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nnc1-c1cccc(Cl)c1 9822948 BLOJTSJQQMNOSE-UHFFFAOYSA-N 435.868 4.397 5 20 IIBD Cc1cc(C(=O)CCC(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(C)s1 9841939 YMVMZQOSFSGVSG-NSHDSACASA-N 438.889 4.460 5 20 IIBD COc1ccc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1Br 10665775 ASCZFRUHEVQUHA-UHFFFAOYSA-N 428.622 4.059 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(-c2ccc(C)c(C)c2)o1 10842444 BTLSXIQVKZLFNJ-CYBMUJFWSA-N 428.470 4.390 5 20 IIBD CN(C(=O)COC(=O)CCc1ccc(-c2ccccc2F)o1)c1ccc([N+](=O)[O-])cc1 11576071 WAJSODQRDBSSOA-UHFFFAOYSA-N 426.400 4.133 5 20 IIBD COc1ccccc1C(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 15131435 HUAWDCOJAQEYAJ-UHFFFAOYSA-N 442.449 4.052 5 20 IIBD C[C@@H](OC(=O)COc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1C(F)(F)F 15647057 MFJFUDHKIKSGDN-SNVBAGLBSA-N 446.765 4.216 5 20 IIBD Cc1ccc(-c2csc3ncn(CCC(=O)OCc4ccc([N+](=O)[O-])cc4)c(=O)c23)cc1 16167894 JUIKNBCSBKWSTM-UHFFFAOYSA-N 449.488 4.475 5 20 IIBD Cc1ccc(-c2nc(CC(=O)OCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cs2)cc1 17205310 UJFZCNBQKGSZKZ-UHFFFAOYSA-N 445.884 4.405 5 20 IIBD Cn1c(SCC(=O)Nc2ccc(N3CCCC3)cc2)nc2cc3ccccc3cc2c1=O 18591016 UCKVPRZGLPFKCL-UHFFFAOYSA-N 444.560 4.418 5 20 IIBD C[C@@H](Sc1nc(COc2ccc(Cl)cc2)n[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 21691808 NIZUVMMADJSWCL-LLVKDONJSA-N 433.877 4.065 5 20 IIBD CSc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1[N+](=O)[O-] 22161982 ZOWWNYZSCKYZAO-CYBMUJFWSA-N 446.481 4.066 5 20 IIBD CCC(CC)NC(=O)[C@H](C)OC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 23968939 WMKWAISTQDUPPF-LBPRGKRZSA-N 437.543 4.361 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3cc(C(=O)N(C)C)ccc3Cl)cc2[N+](=O)[O-])CC1 31734877 IFTOGPHUWVQKHZ-UHFFFAOYSA-N 444.919 4.439 5 20 IIBD COC(=O)c1ccc(CN2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)o1 61309964 JOZTWCNSCGAKMS-UHFFFAOYSA-N 441.509 4.021 5 20 IIBD C[C@H](OC(=O)c1[nH]c2ccccc2c1Br)C(=O)Nc1cccc([N+](=O)[O-])c1 107536578 XBBZGKQUIMFQSK-JTQLQIEISA-N 432.230 4.023 5 20 IIBD O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 109666521 LDYHHJYCWVDZTD-UHFFFAOYSA-N 448.483 4.441 5 20 IIBD O=C(COC(=O)c1cc(-c2ccncc2)nc2ccccc12)Nc1ccc(F)c([N+](=O)[O-])c1 137781700 FSWNNKGMSSUHQC-UHFFFAOYSA-N 446.394 4.140 5 20 IIBD CS(=O)(=O)c1cccc([C@@H](NCc2ccc([N+](=O)[O-])cc2)c2ccc(F)c(F)c2)c1 237468523 XOVRFGZKLIOOTL-OAQYLSRUSA-N 432.448 4.156 5 20 IIBD Cc1ccccc1-c1nnc(Sc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])o1 301236660 KPAKWZXUISGROQ-UHFFFAOYSA-N 427.410 4.101 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NC[C@@H](O)c1cc(Cl)cc(Cl)c1 301276828 JCBSIIZUQBYVQQ-CQSZACIVSA-N 441.239 4.043 5 20 IIBD Cc1c([C@@H](NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C(C)C)oc2ccccc12 303437384 GPHUFGRAFGNLTR-IBGZPJMESA-N 430.482 4.180 5 20 IIBD Cc1cc(=O)c(C(=O)N2CCC[C@@H]2CCCc2ccccc2)nn1-c1ccccc1[N+](=O)[O-] 427206920 VHEQIGFAPONSRL-FQEVSTJZSA-N 446.507 4.077 5 20 IIBD O=C(Nc1cccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1)c1ccoc1 429782719 GXRHNLNKFZKSCI-UHFFFAOYSA-N 430.214 4.455 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSCc1ccc(OCC(F)(F)F)nc1 431323132 ZQPHYMGDQZJNRC-UHFFFAOYSA-N 443.403 4.162 5 20 IIBD C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CC[S@@](=O)C1 432581776 YSIQFRSKRLYAIW-CFJPQMKISA-N 438.958 4.240 5 20 IIBD O=C(Nc1ccc(N2CCCC2=O)cc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 435826107 KSZBOKQNJDQJQF-UHFFFAOYSA-N 433.414 4.339 5 20 IIBD O=C(NCc1cccc(NC(=O)c2ccncc2)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437140764 BZHMPKGATZONBI-UHFFFAOYSA-N 444.369 4.191 5 20 IIBD COc1ccc2c(c1)CCN(C(=O)c1ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c1)CC2 438915840 BAMCIMHHNVSYCS-KRWDZBQOSA-N 446.507 4.413 5 20 IIBD CC(C)CN1CCC[C@H](CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 444253794 PYUFTTYQDMYZED-OAHLLOKOSA-N 427.495 4.057 5 20 IIBD O=C(Cc1noc(CSc2ccc([N+](=O)[O-])cc2)n1)Nc1ccccc1C(F)(F)F 445418856 OTAADMSOPVKBLV-UHFFFAOYSA-N 438.387 4.470 5 20 IIBD C[C@@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCN1Cc1ccccc1 445942155 ATGKMARWKHNOOK-CRAIPNDOSA-N 446.345 4.069 5 20 IIBD O=C(C[C@@H](Cc1ccccc1)c1ccccc1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 461082444 GHFPZROXWWXPQY-YADHBBJMSA-N 430.508 4.419 5 20 IIBD CCCCN(C)C(=O)CS[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 462390009 ACHQIYPDJGYQBY-CYBMUJFWSA-N 436.559 4.037 5 20 IIBD COc1ccccc1-c1ccc([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)cc1 462496566 VNMFGHOALPYFIE-HNNXBMFYSA-N 442.493 4.319 5 20 IIBD COc1cc(S(=O)(=O)N(C)[C@H](c2ccc(Cl)cc2)C(F)(F)F)ccc1[N+](=O)[O-] 464428043 MKVTUZKWNAKVNH-OAHLLOKOSA-N 438.811 4.181 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1nc2ccc(Br)cc2[nH]1 464577701 VRAQYHIGIHRBDP-UHFFFAOYSA-N 447.292 4.432 5 20 IIBD O=C(CCOc1ccccc1Br)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464639819 QCLCAYVMPBMMNJ-UHFFFAOYSA-N 449.301 4.196 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(C[C@H]2C[C@H]3C=C[C@H]2C3)C2CCN(C)CC2)cc1SC 464685810 XXXIXFNRLIFXSG-YESZJQIVSA-N 445.585 4.074 5 20 IIBD CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 464971495 HPUZBSHCTVFKGG-SFHVURJKSA-N 436.537 4.312 5 20 IIBD CCc1cccc2c(C3CCN(C(=O)Cc4cc5c(cc4[N+](=O)[O-])OCCO5)CC3)c[nH]c12 465073273 OJUXJJGICDHSPU-UHFFFAOYSA-N 449.507 4.358 5 20 IIBD CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 465138596 XALVNCCGAHZPBI-HNNXBMFYSA-N 439.295 4.353 5 20 IIBD CN(Cc1ccco1)Cc1ccccc1CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl 466215113 CHOZPJGOALOQQV-UHFFFAOYSA-N 442.903 4.473 5 20 IIBD C[C@@H](NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)c1cccc(OCc2ccccn2)c1 468525476 XDQHYZMARXVGAB-QGZVFWFLSA-N 448.479 4.103 5 20 IIBD O=C(NC1CC1)c1ccc(CN(Cc2ccco2)C(=O)CCc2cccc([N+](=O)[O-])c2)cc1 470878129 UBNUVVUGMKOGBR-UHFFFAOYSA-N 447.491 4.242 5 20 IIBD Cc1cc(NS(=O)(=O)c2oc3ccc(F)cc3c2C)n(-c2ccc([N+](=O)[O-])cc2)n1 471508732 WKOUVBGFBMFTGG-UHFFFAOYSA-N 430.417 4.083 5 20 IIBD CCOc1cc(C(=O)N2CCC(=Cc3cccc(OC)c3)CC2)c([N+](=O)[O-])cc1OC 472949428 KIGKGLXJHHJOLK-UHFFFAOYSA-N 426.469 4.330 5 20 IIBD Cc1nc(NC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] 475304278 PKBBLGYFNPEAJP-YKSBVNFPSA-N 444.491 4.417 5 20 IIBD CC[C@@H]1NC(=O)N(c2cccc(NCc3csc(-c4cccc([N+](=O)[O-])c4)n3)c2)C1=O 475577507 YVVWOHCETJTDJK-SFHVURJKSA-N 437.481 4.165 5 20 IIBD COc1cc(OCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)ccc1[N+](=O)[O-] 475876001 WANUILVRJLZKGN-INIZCTEOSA-N 427.438 4.015 5 20 IIBD CC(=O)N(Cc1ccc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(C)C 477471506 OQZGKNCEWZZCPV-UHFFFAOYSA-N 432.908 4.369 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@H]2CC[C@@H](c3cccc(F)c3)C2)ccc1[N+](=O)[O-] 478221767 CQPHESPVKZEGCR-PIPMEXSNSA-N 439.487 4.099 5 20 IIBD O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 479235008 OKYRUKSLZOTHDF-QGZVFWFLSA-N 448.248 4.191 5 20 IIBD O=C(c1nn(-c2ccccc2C(F)(F)F)cc1O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 481547476 UPEKKBHLIYEOSO-UHFFFAOYSA-N 446.385 4.310 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC(Oc2ccccc2Cl)CC1 482080584 VKYMXIOLMVTIAO-UHFFFAOYSA-N 426.860 4.118 5 20 IIBD C[C@H](O)[C@@](C)(CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccccc1 482120598 JFDXUXQUFUZDCG-OYHNWAKOSA-N 425.510 4.078 5 20 IIBD C[C@H]1c2nncn2CCN1C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 486012741 CDYAOEXWCFNXGB-LBPRGKRZSA-N 429.889 4.208 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)c2ccc(S(=O)(=O)Cc3ccccc3)cc2)cc1[N+](=O)[O-] 488076936 NYQVVODDQOQXMM-QGZVFWFLSA-N 438.505 4.368 5 20 IIBD COCCOc1cccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 488421933 SJFBWCUBHGEQJI-UHFFFAOYSA-N 430.404 4.370 5 20 IIBD Cc1cc(=O)c(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)nn1-c1ccccc1[N+](=O)[O-] 494906581 GUOBFWHLVHLGRH-UHFFFAOYSA-N 437.214 4.147 5 20 IIBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccnc(SCC(F)(F)F)c1 495882318 DNIBKJNVAHZWSK-UHFFFAOYSA-N 429.376 4.058 5 20 IIBD O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 496375029 GABSCBLIPOJSQJ-GOSISDBHSA-N 438.465 4.088 5 20 IIBD O=C(Cc1ccc(OCc2ccccn2)cc1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 503232753 OXGJTLNFUYIKGH-UHFFFAOYSA-N 429.436 4.140 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(N2CCc3ccccc32)CC1 503369350 CMTSMPXDGFUWNW-HNNXBMFYSA-N 428.920 4.102 5 20 IIBD CCSc1ccc([C@@H](C)NC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cc1 504720370 IBMUNAOTQGOJJU-OAHLLOKOSA-N 438.509 4.052 5 20 IIBD CC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 504758680 DKEMCULDZSLURF-ZDUSSCGKSA-N 437.855 4.030 5 20 IIBD CCSc1ccc([C@H](C)Nc2ccc(C(=O)N[C@H](C)C(=O)OC)cc2[N+](=O)[O-])cc1 505604045 DBMRZZCPLRAMMI-UONOGXRCSA-N 431.514 4.171 5 20 IIBD COc1ccc(C)cc1CCNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 506054859 DKBAUUILDMONHG-KRWDZBQOSA-N 434.496 4.452 5 20 IIBD COc1ccc([C@H](C)N(C)C(=O)c2ccc([N+](=O)[O-])cc2I)cc1 508800511 KMLFOULUMKFLIJ-NSHDSACASA-N 440.237 4.041 5 20 IIBD Cc1c(C(=O)Nc2c(-c3cccs3)nc3ccccn23)nnn1-c1cccc([N+](=O)[O-])c1 509813590 WQNQKFHVHUZUFN-UHFFFAOYSA-N 445.464 4.112 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCC[C@H](CN3CCCC[C@@H]3C)C2)cc1[N+](=O)[O-] 510475610 HXZMVNQMUJSOKV-GOEBONIOSA-N 438.366 4.392 5 20 IIBD CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1I)c1ccccc1 511246547 JPDMRYJPASSXFO-INIZCTEOSA-N 438.265 4.369 5 20 IIBD C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 512188166 WLPLVPMXVORCNN-CYBMUJFWSA-N 449.916 4.349 5 20 IIBD COc1cc(C(=O)N2CCc3sccc3[C@H]2C)c([N+](=O)[O-])cc1OCc1cscn1 512306715 RZLJDFSBQWQLQK-GFCCVEGCSA-N 445.522 4.460 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@@H](c3cccs3)N(C)C)cc2[N+](=O)[O-])C1 512498182 AZHMBOXIVBKVAS-QINHECLXSA-N 430.574 4.171 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N(C)CCc3nccs3)c([N+](=O)[O-])c2)c(C)c1 513116137 ZXKFWRVKSFBJNU-UHFFFAOYSA-N 446.554 4.148 5 20 IIBD CSc1ccc(C(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)cc1[N+](=O)[O-] 513597873 NQDGGHTYWHHNNT-UHFFFAOYSA-N 438.427 4.469 5 20 IIBD COc1cc(CCNC(=O)N[C@@H](C)c2ccccc2C(F)(F)F)c([N+](=O)[O-])cc1OC 514031466 SYABWHKBXFJXSY-LBPRGKRZSA-N 441.406 4.234 5 20 IIBD O=C(c1cc(NCc2nn(-c3ccccc3)c3c2CCC3)ccc1[N+](=O)[O-])N1CCCC1 515607606 ZOKMYMSVHGEMIS-UHFFFAOYSA-N 431.496 4.117 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 515681384 QVQJTWGRTVHANZ-UHFFFAOYSA-N 437.427 4.072 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ncnc2scc(-c3ccccc3)c12 515724352 FAKCAJJBXHIDOZ-UHFFFAOYSA-N 426.479 4.376 5 20 IIBD CC(C)C[C@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N[C@H](C)c1ccccc1 517714950 REGMNNQRLFJKLP-WIYYLYMNSA-N 435.528 4.276 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-c3ccc4c(c3)CCO4)n2)c(Cl)c1 518328806 KBBHEXBCKAATNH-UHFFFAOYSA-N 431.857 4.046 5 20 IIBD C[C@H](Cc1cccc(F)c1)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 519019143 XYEFSJPCEYYTBZ-CQSZACIVSA-N 439.409 4.280 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccnn2[C@H]2CCCc3ccccc32)cc([N+](=O)[O-])c1 519950877 JAVVZRPCCGCRDZ-FQEVSTJZSA-N 434.452 4.146 5 20 IIBD O=C(Nc1ccccc1OCCc1ccccc1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 520227310 QMQSCCXKNFCVTR-UHFFFAOYSA-N 429.436 4.049 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1NC(=O)c1ccncc1 520745268 WWGZYYYQNAVQPM-UHFFFAOYSA-N 445.479 4.403 5 20 IIBD O=C(Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)c1cccc([N+](=O)[O-])c1 522676775 QBUOVHYJIXXEIH-UHFFFAOYSA-N 432.404 4.099 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCc2cccc(Cl)c2Cl)ccc1[N+](=O)[O-] 523944811 XCNFHMNKOWWXNG-KRWDZBQOSA-N 436.295 4.131 5 20 IIBD CCOc1cc(C(=O)N[C@@H]2CCc3c(Br)cccc32)c([N+](=O)[O-])cc1OC 524099392 DQPCHJKCTWRJKS-OAHLLOKOSA-N 435.274 4.182 5 20 IIBD CN(C[C@@H](O)COCc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 530859478 UKNZSWYIDVPHAP-HXUWFJFHSA-N 436.464 4.037 5 20 IIBD CN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](c1ccc(Cl)cc1)C(F)(F)F 531830874 XEEVKXBEKQFTKC-KRWDZBQOSA-N 443.809 4.130 5 20 IIBD CC(C)(NC(=O)Nc1cccc(F)c1I)c1ccc([N+](=O)[O-])cc1 534016621 JEDKBWIMHVUWPD-UHFFFAOYSA-N 443.216 4.395 5 20 IIBD CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 535349897 JXWOOPBVJLKCSP-UHFFFAOYSA-N 435.459 4.239 5 20 IIBD C[C@H](Oc1ccccc1NC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccccc1 535409288 QKPNHTMBGYBEFS-KRWDZBQOSA-N 433.464 4.032 5 20 IIBD O=C(N[C@@H]1COc2ccccc2C1=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 535508599 RGCGHEXOOUWZIV-QGZVFWFLSA-N 438.823 4.414 5 20 IIBD O=C(NCc1ccccc1)c1cccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 535675800 MEDPCOGOMRKBEA-UHFFFAOYSA-N 430.464 4.115 5 20 IIBD Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 536252287 FGABRZAETREJID-UHFFFAOYSA-N 430.346 4.441 5 20 IIBD O=C(Nc1cc(Br)cc(Cl)c1O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 536458501 FTMPKRDAHDMESC-UHFFFAOYSA-N 437.637 4.154 5 20 IIBD CCOc1cc(NC(=O)c2cn(-c3cccc(Cl)c3F)nn2)c([N+](=O)[O-])cc1OCC 538448624 XIZLJCFQYWFZHR-UHFFFAOYSA-N 449.826 4.018 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1 538744192 SJDAUJLSGVPLJD-UHFFFAOYSA-N 430.574 4.232 5 20 IIBD C[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1cc(F)c(Cl)cc1Cl 539241147 ALILBEWKJDXIOS-QMMMGPOBSA-N 430.219 4.059 5 20 IIBD CC(C)(C)c1cc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])n(-c2ncccn2)n1 543146031 UGMVXXOKGUQDKP-UHFFFAOYSA-N 446.920 4.252 5 20 IIBD C[C@@H]1CSc2ccc(Cl)cc2N(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C1 543263357 UZSRTDKLMVVHCI-NSHDSACASA-N 440.930 4.040 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl 543354142 AYFTYQLAMAIQPI-UHFFFAOYSA-N 434.880 4.107 5 20 IIBD CCOC(=O)c1cc(-c2nc(CCc3ccc(OC(F)F)cc3)no2)cc([N+](=O)[O-])c1 545033720 WIYCNODFSNGOLA-UHFFFAOYSA-N 433.367 4.208 5 20 IIBD O=C(c1ccccc1[N+](=O)[O-])N1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1 549989232 DWEBLKUUOBWRLE-UHFFFAOYSA-N 430.464 4.311 5 20 IIBD Cc1ccc(CC2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCCO)CC2)cc1C 552607684 IZVJFRSOHWATCJ-UHFFFAOYSA-N 428.554 4.391 5 20 IIBD C[C@H]1CCCN(c2ccc(C(=O)N3CCC(F)(c4cccnc4)CC3)cc2[N+](=O)[O-])C1 556462692 OMEMJTFBAASXDA-KRWDZBQOSA-N 426.492 4.327 5 20 IIBD COc1ccc(S(=O)(=O)n2cc(-c3cccc([N+](=O)[O-])c3)cn2)c(Cl)c1Cl 558325235 CWNOYFYCSUFSBK-UHFFFAOYSA-N 428.253 4.011 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 560993481 BBGNYLOJRDYKKW-OAQYLSRUSA-N 435.446 4.050 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2ccc3c(c2)cc(C)c(=O)n3C)cc1[N+](=O)[O-] 561556301 PVFJQQYANCOCSF-UHFFFAOYSA-N 430.258 4.078 5 20 IIBD COc1ccc(NC(=O)CN(C)[C@H](C)Cc2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 563733000 QDJPVNNKYHGKFE-CYBMUJFWSA-N 425.407 4.124 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCc2sccc2[C@@H]1c1cccs1 565688665 BDYGEBOLPLVHMD-LJQANCHMSA-N 441.534 4.393 5 20 IIBD Cc1cc(Br)c2c(c1)CN(c1nnc(-c3cccc([N+](=O)[O-])c3)n1C)CC2 568040173 CWZMWVPAROSDCO-UHFFFAOYSA-N 428.290 4.024 5 20 IIBD CC(C)(C)c1nsc(Oc2ccc(Nc3nccc(C(N)=O)c3[N+](=O)[O-])cc2Cl)n1 573295826 MMHKABATZHPLKH-UHFFFAOYSA-N 448.892 4.427 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)c1 574416263 MBDSDWMEYFNPJQ-OPAMFIHVSA-N 428.485 4.049 5 20 IIBD COc1cc(-c2nc(Cc3nc(O)c4c(C5CC5)csc4n3)no2)cc([N+](=O)[O-])c1C 579159553 RIGOEYHUFQCLCH-UHFFFAOYSA-N 439.453 4.140 5 20 IIBD O=C(N[C@H]1CCCN(CC(F)(F)F)C1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 590374832 VEIBWCHVYPQRHX-ZDUSSCGKSA-N 431.480 4.386 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 603446470 UNMYCSBEXLIAPZ-JTQLQIEISA-N 425.666 4.367 5 20 IIBD COc1ccc(C[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)c2ccc(OC)cc2)cc1 603565705 PIYXGIMQHOFDKH-QHCPKHFHSA-N 436.464 4.091 5 20 IIBD COCCCn1c(Sc2ccc([N+](=O)[O-])c(C)c2)nnc1-c1ccc(OC)c(OC)c1 603843438 ZFBMXYWODRNEEG-UHFFFAOYSA-N 444.513 4.367 5 20 IIBD Cc1cc(C)c(-c2cc(NC(=O)Cn3ccc([N+](=O)[O-])n3)n(-c3ccccc3)n2)cc1C 603952467 YQSBOKJBHANSCW-UHFFFAOYSA-N 430.468 4.208 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccc(OCc2ccccn2)cc1 604443676 JRMRHFTXIZONRP-OAHLLOKOSA-N 441.871 4.306 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 608898059 FEWXRBGBKDARAF-UHFFFAOYSA-N 447.875 4.200 5 20 IIBD COc1cc(OCC(=O)NCc2ccccc2Oc2cccc(F)c2)ccc1[N+](=O)[O-] 609375647 HDUDRAMLEVRBAY-UHFFFAOYSA-N 426.400 4.230 5 20 IIBD CCn1c(SCC(=O)N2CCCc3ccc([N+](=O)[O-])cc32)nnc1-c1cccs1 609860088 QBJDCTJDDNBNFO-UHFFFAOYSA-N 429.527 4.006 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC[C@H](N4CCCC4)CC3)cc2[N+](=O)[O-])C1 609977538 RHSCKBBBRYRUIX-ZVDOUQERSA-N 428.577 4.168 5 20 IIBD Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 610043112 FGCRAKFBDYQQNJ-UHFFFAOYSA-N 427.526 4.009 5 20 IIBD CC(C)(C)C[C@@H](NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 610145344 UCOJJVVIWMLABX-OAQYLSRUSA-N 438.528 4.240 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(C[S@@](=O)Cc3nc(-c4cccc(Cl)c4)no3)co2)cc1 611165490 DXMMRLTWHNBPSB-SSEXGKCCSA-N 444.856 4.402 5 20 IIBD COc1cc(OC)c(C2CCN(C(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)CC2)c(OC)c1 612479127 WWWZRGIFSRSQJL-CQSZACIVSA-N 446.475 4.269 5 20 IIBD CO[C@]1(C(F)(F)F)CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 614898386 XBVPYLGNILXVGT-HXUWFJFHSA-N 437.418 4.390 5 20 IIBD C[C@@H](NC(=O)Nc1cccc(OCCNC(=O)OC(C)(C)C)c1)c1cccc([N+](=O)[O-])c1 728395722 ZYHYUTMUANKAJC-OAHLLOKOSA-N 444.488 4.381 5 20 IIBD Cc1nc(-c2ccccc2)[nH]c1C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 728727106 ISMFGTGDMAAOGM-UHFFFAOYSA-N 448.357 4.108 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)[C@H]1CCCCN1C(=O)c1cccs1 729117870 QCKALHGJJKUJIN-QGZVFWFLSA-N 432.498 4.182 5 20 IIBD Cc1ccc(Cl)c(O[C@H](C)C(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 729192419 IZMQXLLROXACNT-OAHLLOKOSA-N 433.892 4.179 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N[C@H](Cn2ccnc2)C(C)(C)C)cc1[N+](=O)[O-])c1ccccn1 729339512 YUFZBNCWCITPBT-IIBYNOLFSA-N 436.516 4.204 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(C)c1OC(F)F 730858672 PMBDRUSOFLWNHM-UHFFFAOYSA-N 428.775 4.262 5 20 IIBD O=C(CN1CCC([C@@H](O)c2ccc(Cl)cc2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] 731484312 NOJBEYKTVPHHCW-FQEVSTJZSA-N 438.311 4.286 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCCC1 732474536 FHXZGLLPCUBYPI-SFHVURJKSA-N 434.537 4.210 5 20 IIBD C[C@@](O)(CNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 734003951 CRIUMRTXFFNSLA-RUZDIDTESA-N 428.492 4.445 5 20 IIBD COc1cccc(COC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1OC(F)F 734969875 JSNNRELIHUOBNR-JTQLQIEISA-N 431.775 4.369 5 20 IIBD COc1cc(N2CCC(OC(=O)c3cc(Cl)c(Cl)n3C)CC2)ccc1[N+](=O)[O-] 739381074 QVEVSRXCJKVGKL-UHFFFAOYSA-N 428.272 4.075 5 20 IIBD CN1C(=O)CC[C@H](COC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc(Cl)c1 740599065 STZAXAQQFHGHFH-ANRGYCFZSA-N 428.872 4.414 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1OCC1CCOCC1 741200962 LKECKNHNSZJALY-UHFFFAOYSA-N 440.905 4.163 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cc(N2CCOC2=O)ccc1F 741516724 AQKCLMXKJMGMNQ-UHFFFAOYSA-N 428.401 4.066 5 20 IIBD CC(C)(C)C(=O)NCc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2Br)cc1 741569671 FDAQZUDSFMUNLN-UHFFFAOYSA-N 449.301 4.377 5 20 IIBD O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)c1cc([N+](=O)[O-])ccc1F 741610771 WCEVQPBCOUXREP-UHFFFAOYSA-N 433.237 4.188 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2cccc3c2OCCO3)c2ccccc2)c([N+](=O)[O-])c1 743027752 SPJNFTMNICVAFG-OAQYLSRUSA-N 448.431 4.211 5 20 IIBD COc1ccc(-c2nc(=S)n(CN3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)[nH]2)cc1 743391483 WSDLLUNENDUJLN-UHFFFAOYSA-N 441.513 4.025 5 20 IIBD C[C@H](OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1ccc(N(C)Cc2ccccn2)c(F)c1 744202644 JAEIZYXCGILIHH-HNNXBMFYSA-N 441.463 4.001 5 20 IIBD Cc1cc(-n2c(C)cc(C(=O)CN3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)c2C)no1 744421068 DEOBETPGQMXKEF-UHFFFAOYSA-N 438.484 4.025 5 20 IIBD CCOc1ccc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 747124923 GBBRVWUMRZZIBA-NSHDSACASA-N 426.347 4.196 5 20 IIBD CC[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)c1ccc(NC(C)=O)cc1 748889067 PXKQVCGNBROCGE-QGZVFWFLSA-N 449.257 4.134 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 749416046 SJVZKVWFBSTANC-UHFFFAOYSA-N 449.854 4.489 5 20 IIBD CSc1ccc(C(=O)N(C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1[N+](=O)[O-] 749505103 BVRYHUDBDKHYQR-OAHLLOKOSA-N 425.551 4.328 5 20 IIBD CC(C)(C)c1ccccc1OCC(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 750434940 PCEONFQRXOFFQI-UHFFFAOYSA-N 427.501 4.126 5 20 IIBD Cc1noc([C@@H](OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c2ccccc2)n1 750868677 DSGCOLJAZGZGTF-DEOSSOPVSA-N 425.444 4.179 5 20 IIBD C[C@@H](O)C[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1ccccc1 750904014 BXSDNCWDYMPMGZ-DGCLKSJQSA-N 441.709 4.295 5 20 IIBD O=C(CC1CCCCC1)NC1CCC(C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 751655596 BCPYVWVWHIFORH-UHFFFAOYSA-N 443.500 4.425 5 20 IIBD CCCc1c(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cnn1C1CCCC1 751848522 JVJYHRAOUDYLPZ-UHFFFAOYSA-N 434.880 4.308 5 20 IIBD Cc1cc(N2C[C@H](CNC(=O)OC(C)(C)C)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 751947631 RGFUKXMKUVDSKV-CVEARBPZSA-N 427.505 4.100 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@H](C)C[C@H](O)c3cccs3)cc2[N+](=O)[O-])C1 752272885 FQBFNSORDLNMHS-ASKKUZCQSA-N 431.558 4.381 5 20 IIBD COc1ccc([C@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c2ccccc2OC)cc1 752377876 FHWAYOXOGQFQHZ-QHCPKHFHSA-N 440.427 4.036 5 20 IIBD Cc1ccc(NC(=O)[C@@H](N[C@H](CCO)c2cccs2)c2ccccc2)c([N+](=O)[O-])c1 754381592 CWFVHHBCUCFSCT-NQIIRXRSSA-N 425.510 4.358 5 20 IIBD Cc1ccc(C)c(NC(=O)[C@H](C)OC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1 756526639 KSGGTDBXFCLWDM-ZDUSSCGKSA-N 435.274 4.087 5 20 IIBD C[C@](CO)(NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C1CC1 759536507 SPWLDINXTQJIHC-UKQURCRRSA-N 437.521 4.412 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC=C(c2cccc(Br)c2)CC1 762481189 AZJORDJDICETAT-UHFFFAOYSA-N 432.230 4.195 5 20 IIBD C[C@H](OC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1)c1ccccc1[N+](=O)[O-] 764595590 FZMFGBHPCSUPLM-CPOQMQJTSA-N 431.408 4.144 5 20 IIBD C[C@H](NCCNS(=O)(=O)Cc1ccccc1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 765277137 CIZCVVIETJSAQD-INIZCTEOSA-N 445.566 4.094 5 20 IIBD O=C(O[C@H]1CCOC2(CCOCC2)C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 765688206 ZSWDQSQYIDGVPR-IBGZPJMESA-N 426.469 4.092 5 20 IIBD O=c1c(C(F)(F)F)cc(-c2ccccc2)nn1CN1CCCc2c1cccc2[N+](=O)[O-] 766358865 YAQAETVUCJSODJ-UHFFFAOYSA-N 430.386 4.248 5 20 IIBD O=C(COC(=O)c1ccc(Cl)nc1C(F)(F)F)Nc1ccc([N+](=O)[O-])cc1Cl 769198687 WDPSPDYXPOJAFT-UHFFFAOYSA-N 438.145 4.111 5 20 IIBD CC(C)(C)OCc1cc(C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)no1 769736052 NUMIPCDWVZVTCT-UHFFFAOYSA-N 439.424 4.369 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(Cl)c(N2CCCC2=O)c1 770329914 CJSNKFFQLRRPFV-UHFFFAOYSA-N 438.665 4.390 5 20 IIBD Cc1c(C(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 775067964 FAIFTRPSGBUABF-QGZVFWFLSA-N 437.811 4.126 5 20 IIBD C[C@@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(F)c(Br)c1 775396548 PNCAQCLICJOYTJ-SECBINFHSA-N 430.661 4.439 5 20 IIBD C[C@@H]1C[C@@H](C(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)CCC1=O 775466352 BACXGSWRADRKOZ-OLZOCXBDSA-N 430.844 4.411 5 20 IIBD CCC(CC)n1nc(C)cc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 775946560 HFMPLCMDTPGCKI-UHFFFAOYSA-N 442.394 4.275 5 20 IIBD COC(=O)c1cnc(S[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)[nH]1 776433669 IFQUTVAHZQVVDB-MRXNPFEDSA-N 446.872 4.230 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)c1cc(OCc2ccccc2)ccn1 778805163 GLIYEORCCVDRCM-LJQANCHMSA-N 437.427 4.144 5 20 IIBD O=C(CC1CCC2(CC1)OCCO2)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 788352873 VXFRRCFARNWWQT-UHFFFAOYSA-N 440.452 4.076 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)C(C)(C)c1ccc(Cl)cc1F 789217453 PUFKMKSZWDMYIV-LLVKDONJSA-N 438.839 4.244 5 20 IIBD CCn1cc(CC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c2ccccc21 791233521 AQKRHTVKBVCKCQ-UHFFFAOYSA-N 442.313 4.459 5 20 IIBD CN(C(=O)c1nc(Br)ccc1F)c1nc(-c2ccccc2[N+](=O)[O-])cs1 791696171 RERWJQAXTOPBIA-UHFFFAOYSA-N 437.250 4.292 5 20 IIBD O=C(NCc1ncc(-c2cccs2)[nH]1)c1cc(Br)cc([N+](=O)[O-])c1Cl 792327637 LVACYVGYRBKJLU-UHFFFAOYSA-N 441.694 4.392 5 20 IIBD COc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)cc1[N+](=O)[O-] 792590896 UCRKKGXCYLHLCX-UHFFFAOYSA-N 446.415 4.240 5 20 IIBD O=C(c1cc(S(=O)(=O)C2CCCC2)ccc1F)N1CCCc2ccc([N+](=O)[O-])cc21 797450141 FGLPMCGUKXGBKB-UHFFFAOYSA-N 432.473 4.043 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCCC3(CCN(C)CC3)C2)cc1[N+](=O)[O-])c1ccccn1 799028287 IBNBFBZJLWQAKB-GOSISDBHSA-N 437.544 4.111 5 20 IIBD CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)c1cc(F)cc(C)c1[N+](=O)[O-] 800212991 RPDLVGBUNYVYDY-UHFFFAOYSA-N 442.274 4.128 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C 801049650 WGEYLXKGNDEIMF-RHSMWYFYSA-N 437.562 4.227 5 20 IIBD CCn1c(-c2ccccc2)nn(CNNc2cc([N+](=O)[O-])ccc2Br)c1=S 802742733 VTMQBQJKEDXVQI-UHFFFAOYSA-N 449.334 4.346 5 20 IIBD COc1ccc(Cn2cc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)cn2)cc1 803728126 PVZWTPOTBFAHSP-UHFFFAOYSA-N 435.484 4.091 5 20 IIBD Cc1ccc([C@H](O)[C@@H](C)NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cc1 804470707 CDJHYKXVELFQGB-QLJPJBMISA-N 427.682 4.171 5 20 IIBD C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1Cl 809917791 AZKZVPWVIRCFSV-MRXNPFEDSA-N 432.908 4.003 5 20 IIBD CC(C)(C)NS(=O)(=O)c1ccccc1NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 812930126 SBINLCGEIWXDQZ-UHFFFAOYSA-N 446.312 4.231 5 20 IIBD CC(C)OCCONC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 813075163 AOFKNMTXPMYYHJ-UHFFFAOYSA-N 441.843 4.335 5 20 IIBD O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813424948 CIZWWOHKJBEUEZ-JTQLQIEISA-N 430.238 4.436 5 20 IIBD Cc1ccc([C@H](OC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c2cncn2C)cn1 816315821 GTVDBBWUYOWFQI-IBGZPJMESA-N 435.465 4.102 5 20 IIBD CC(C)(C(=O)O)c1ccc(NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)cc1 821178383 RQLJCIJEHUIVOG-UHFFFAOYSA-N 433.269 4.065 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)OCCN2CCCCC2)cc1[N+](=O)[O-] 858980802 QRHLBXYGPZBQMK-UHFFFAOYSA-N 428.510 4.190 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)CCc1c[nH]c2ccccc12 864244587 DBFWOHCWZRZRMI-UHFFFAOYSA-N 433.468 4.496 5 20 IIBD CCOc1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1OCC 880976766 HDRTXIILTDREFE-UHFFFAOYSA-N 441.528 4.355 5 20 IIBD COC(=O)Cc1ccc(OC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)cc1 900349049 IWYKOIQKRMZGCZ-UHFFFAOYSA-N 444.490 4.446 5 20 IIBD CCOc1ccc(-c2noc(COC(=O)c3ccc(Br)c([N+](=O)[O-])c3)n2)cc1 913214700 IBPXPSQMOOAFHW-UHFFFAOYSA-N 448.229 4.163 5 20 IIBD O=C(OCc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 914852598 NCCYXCUVAKAWFM-HNNXBMFYSA-N 437.279 4.497 5 20 IIBD O=C(OCc1ccccc1[N+](=O)[O-])[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 914852668 QYMXURZVGQDPSZ-AWEZNQCLSA-N 437.279 4.497 5 20 IIBD CN(C)c1ncccc1C(=O)Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1 915275545 DAEJXZJHXQFONR-UHFFFAOYSA-N 431.404 4.048 5 20 IIBD C[C@@H]1CCc2c(sc3ncn(Cc4c(Br)cccc4[N+](=O)[O-])c(=O)c23)C1 915668611 XHAZNDXHLCDWJJ-SNVBAGLBSA-N 434.315 4.302 5 20 IIBD O=C1CN(c2ccc(NC(=O)c3cc4ccccc4c4cccnc34)cc2Cl)CCN1 915863986 XHPOMYFRYYKABM-UHFFFAOYSA-N 430.895 4.230 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1ncc(Cc2ccccc2Cl)s1 918191539 FZXRABKZYPQFOC-UHFFFAOYSA-N 427.866 4.235 5 20 IIBD CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)Oc1ccc(-c2ccccc2)cc1 920108235 QYMMODCGBOKNEP-GOSISDBHSA-N 440.477 4.312 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(-c2nnn(CCOc3ccc(F)cc3)c2C)n1 1117547058 GCFUJHNTFGJJML-UHFFFAOYSA-N 438.419 4.047 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCCN(Cn3ncc4cc([N+](=O)[O-])ccc43)C2)CC1 1255352909 UBEMQHJWGXKBPH-UHFFFAOYSA-N 429.521 4.015 5 20 IIBD C[C@@H](Oc1ccccc1F)c1nnc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)o1 1257705860 OJHCINVQSYOZFI-DGCLKSJQSA-N 432.433 4.296 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc2c(OC(F)(F)F)cccc2[nH]1 1317959463 LEIUEAGPFFNPMH-UHFFFAOYSA-N 437.330 4.079 5 20 IIBD COc1cccc2cc(CNc3ccc(S(=O)(=O)C(F)(F)F)cc3[N+](=O)[O-])oc12 1318250930 SFXSHXAEJLYNMB-UHFFFAOYSA-N 430.360 4.255 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCCc2nc3ccccc3n2C)cc1[N+](=O)[O-])c1ccccn1 1318477915 OMMCOUIFRMCQES-INIZCTEOSA-N 444.495 4.022 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3cnc4c(c3)c(C3CC3)nn4-c3ccccc3)n2)nc1 1320219147 QPIXPMVTSFCVCW-UHFFFAOYSA-N 439.435 4.242 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)o2)C1 1326378257 LUMBTXVCWVHCSF-INIZCTEOSA-N 443.504 4.360 5 20 IIBD O=C(NCc1ccccc1F)c1ccc(NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc1 1339577151 WZHWYVVNWKZSRH-UHFFFAOYSA-N 434.427 4.212 5 20 IIBD COc1ccc(-c2nnc(-c3ccn(-c4cccc([N+](=O)[O-])c4)n3)o2)cc1Br 1341657357 IFFIJIBLJVUQQS-UHFFFAOYSA-N 442.229 4.269 5 20 IIBD COCCn1c(-c2ccc3ccccc3c2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1343603877 HUGSSADEYMGSSY-UHFFFAOYSA-N 429.480 4.216 5 20 IIBD CC(C)CC(=O)Nc1ccc(C2(NC(=O)c3cc([N+](=O)[O-])ccc3N(C)C)CCC2)cc1 1787664428 MQZYYLRCONESND-UHFFFAOYSA-N 438.528 4.455 5 20 IIBD Cc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc4ccoc24)C3)cc1[N+](=O)[O-] 1800139401 PGRXOLCPCLAQTL-ACDBMABISA-N 447.491 4.144 5 20 IIBD C[C@]1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CSc2ccccc2[N+](=O)[O-])CC=CCC1 1802185868 SDKSQLWLOSZJFW-FXKZBUDASA-N 443.569 4.072 5 20 IIBD O=C(CC1CCCC1)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)[nH]n1 1816682291 JVPLBMSWBBRFGG-FQEVSTJZSA-N 439.516 4.133 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(-c2ccco2)n1CC(C)C 9566539 IOSGXCGCAYBAGS-CYBMUJFWSA-N 445.501 4.230 5 20 IIBD O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 14342620 ZRBSMINGDPMANU-UHFFFAOYSA-N 440.887 4.185 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 21605683 IEOTXZITPZPSMR-QMMMGPOBSA-N 431.754 4.033 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1C 28774595 CPCWJSLHAHEAEP-GOSISDBHSA-N 428.488 4.342 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 33180531 UVCAHBSUFZNAJA-NSHDSACASA-N 442.697 4.006 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 35281679 QSNWRCNELARMOO-CYBMUJFWSA-N 430.823 4.457 5 20 IIBD CCCCc1ccc(-n2nnnc2SCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 36676718 WFVJIWWFJDOPOL-UHFFFAOYSA-N 427.486 4.072 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC1CCN(Cc2ccc(Cl)cc2)CC1 45509738 GHVYTMZBWFZVIW-UHFFFAOYSA-N 430.936 4.221 5 20 IIBD Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NCCNc3ccc([N+](=O)[O-])cc3)c12 46921183 ZNLMQPCYWMJYTJ-UHFFFAOYSA-N 436.516 4.122 5 20 IIBD Cc1ccc(NC(=O)N2CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)CC2)cc1Cl 58446436 QWIJZZYKBNBQLH-UHFFFAOYSA-N 441.875 4.028 5 20 IIBD Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 63830393 LTXAIJDXRVITGC-UHFFFAOYSA-N 441.438 4.279 5 20 IIBD COc1ccc(OC)c(-c2csc(NC(=O)COc3ccc([N+](=O)[O-])c(C)c3)n2)c1 104817961 ICHHNZIWNBAIGD-UHFFFAOYSA-N 429.454 4.061 5 20 IIBD CCN(Cc1c(F)cccc1F)C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 116561420 LLUCXXYGDADREK-UHFFFAOYSA-N 428.439 4.397 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1I 127459426 CQMDIEAMZHKACI-UHFFFAOYSA-N 447.026 4.214 5 20 IIBD CN1CCN(c2ccc(NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)c(C(F)(F)F)c2)CC1 213193876 GRKUXAXSTZSEJT-WTKPLQERSA-N 434.418 4.017 5 20 IIBD COc1cc(CCNC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)c([N+](=O)[O-])cc1OC 217474564 KNQAQWNZHHOXOW-LSDHHAIUSA-N 438.402 4.093 5 20 IIBD O=c1c(Cl)c(NCc2cc(Br)cs2)cnn1-c1ccc([N+](=O)[O-])cc1 301149775 CNCAQOIXWSWQGO-UHFFFAOYSA-N 441.694 4.230 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1Sc1nnc(-c2ccccc2Cl)o1 301284025 YPJFVMQPVUTFGS-UHFFFAOYSA-N 447.828 4.446 5 20 IIBD COc1cc(N[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c(F)cc1[N+](=O)[O-] 301984403 BCJPJNOFBFCXTQ-OAHLLOKOSA-N 441.381 4.364 5 20 IIBD CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2c1ncc([N+](=O)[O-])cc1Br 302062862 SQFKAJYZHSHDBN-XYPWUTKMSA-N 445.317 4.024 5 20 IIBD CO[C@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(Cl)cc1 426015699 IBXUQXABTGIAMF-MRXNPFEDSA-N 431.798 4.454 5 20 IIBD Cc1cc(CN[C@@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)O)ccc1Oc1cccnc1 426740717 ILLMRVFVXXAIMO-QFIPXVFZSA-N 446.463 4.357 5 20 IIBD CC(C)(NCC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccccc1[N+](=O)[O-] 429245344 OQZZFLZIFHVOTH-OAQYLSRUSA-N 444.963 4.026 5 20 IIBD CCN([C@H](c1cccnc1)c1ccc(F)cc1F)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] 431912447 NJNBVGSBSXUTGP-HXUWFJFHSA-N 447.463 4.377 5 20 IIBD Cc1nn(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)c2ccc([N+](=O)[O-])cc12 432246946 OPVXPGDIKRDJCM-GOSISDBHSA-N 435.465 4.285 5 20 IIBD CCCc1c(NC(=O)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cnn1-c1ccc(C)cc1 433446120 YZHVFTULJUEHLC-KRWDZBQOSA-N 449.511 4.166 5 20 IIBD C[C@H](c1ccncc1)N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435487636 UAELRFKUOWMOAK-CYBMUJFWSA-N 442.522 4.361 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)c1cccc(O)c1 435843194 DWDYWONQWKZNOZ-LBPRGKRZSA-N 443.506 4.329 5 20 IIBD COC(=O)c1sc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nc1C(C)(C)C 437016694 GDZQHQNRDOSJDP-UHFFFAOYSA-N 431.392 4.407 5 20 IIBD CC(C)(C)Oc1cc(F)ccc1NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 437063816 MLRBRBVZROVBMC-UHFFFAOYSA-N 429.448 4.041 5 20 IIBD C[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(NC(=O)NC2CC2)cc1 438013791 QDYHSXPNJOHZAS-HNNXBMFYSA-N 437.500 4.314 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCC(C)(C)C[C@H](C)O)cc1[N+](=O)[O-] 439730589 VKIJKEGHFWKIJC-AWEZNQCLSA-N 430.526 4.075 5 20 IIBD Cc1ccc(Cl)c(N(Cc2ncc[nH]2)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1 440886819 KSOFDIJYPGARTC-UHFFFAOYSA-N 436.859 4.312 5 20 IIBD CN(Cc1cc(Br)cs1)C(=O)CN(Cc1ccccc1[N+](=O)[O-])C1CC1 441252073 IYNUVTMZZHAZCG-UHFFFAOYSA-N 438.347 4.042 5 20 IIBD CC(C)n1cc2c(n1)C[C@H](NC(=O)c1cc(F)cc3c(=O)c4cc(F)ccc4[nH]c13)CC2 444232707 BSSSELKAFPCGOR-MRXNPFEDSA-N 436.462 4.024 5 20 IIBD O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444292781 SJUSLMQNMLDUGR-UHFFFAOYSA-N 445.765 4.479 5 20 IIBD CN(Cc1ccccc1OC(F)(F)F)C(=O)Cc1ccc([N+](=O)[O-])cc1Br 445513705 GTBVPOHRGMOBDB-UHFFFAOYSA-N 447.207 4.457 5 20 IIBD CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCOc2ccc(Br)cc21 445874275 FUTQMQSTFQTTIP-INIZCTEOSA-N 445.273 4.363 5 20 IIBD Cc1ccc(C(C)(C)CN(C)C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 460535201 JRMJNNQUWNOOIN-KRWDZBQOSA-N 429.542 4.006 5 20 IIBD C[C@@H]1[C@@H](Cc2ccccc2)CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 461642087 SYOKYKCBQKZXCC-HMXCVIKNSA-N 447.539 4.347 5 20 IIBD Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] 463288620 MPVSXMZBAJFENX-IAGOWNOFSA-N 438.528 4.096 5 20 IIBD CN(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H](C(N)=O)c1cccc(Br)c1 468473753 AGUHQGSQJWIFLL-LJQANCHMSA-N 444.285 4.276 5 20 IIBD C[C@H](C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C)c1ccc([N+](=O)[O-])cc1F 469493168 BZBADEVGUGUMRD-SGTLLEGYSA-N 427.398 4.275 5 20 IIBD Cc1ccc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c(-c2nc(C3CC3)no2)c1 472836603 QOTLABQGYVIZOW-UHFFFAOYSA-N 448.483 4.185 5 20 IIBD COC(=O)COc1ccc(CN[C@@H](c2cccc(Cl)c2)c2ccccn2)cc1[N+](=O)[O-] 474368826 IARZPYDFCYSOEV-QFIPXVFZSA-N 441.871 4.074 5 20 IIBD COCCN(Cc1sccc1Br)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] 479726891 XYXQPVNCJYSHHD-LBPRGKRZSA-N 442.335 4.338 5 20 IIBD O=C(NCCC1CCN(CC(F)(F)F)CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 482328330 HLBLBOKSYWFNHP-UHFFFAOYSA-N 442.463 4.113 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 485594882 QGCIMKMFOYEPKT-HBMCJLEFSA-N 449.507 4.468 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NCc1nnnn1-c1ccc(Cl)cc1C(F)(F)F 486029859 OVTCYCULIBBJEH-UHFFFAOYSA-N 442.785 4.254 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)nc1 486163496 GVCPKPAZGYLWRD-UHFFFAOYSA-N 438.465 4.245 5 20 IIBD COC[C@H](c1ccc(Cl)cc1)N(C)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] 486510920 TYXCHGWSAVKPNI-LJQANCHMSA-N 428.876 4.037 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCC(Oc3ccccc3Cl)CC2)c(C)c([N+](=O)[O-])c1 486887374 YREOVITUTARBSI-UHFFFAOYSA-N 447.875 4.419 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cnn(CCC(C)C)c2C(C)C)cc1[N+](=O)[O-] 487763226 PVWNGMWIVXUTMM-INIZCTEOSA-N 429.521 4.085 5 20 IIBD COc1cc(C(=O)N(C)CCCn2ccnc2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 488261485 JIHMKJJMORLSOT-UHFFFAOYSA-N 444.875 4.408 5 20 IIBD CCCc1c(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cnn1-c1ccccc1C 489080164 TUAZMKSTBMDHKM-UHFFFAOYSA-N 437.504 4.107 5 20 IIBD O=[N+]([O-])c1cn(C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)nc1C1CC1 489418678 OONMHXUMVCXFOH-LJQANCHMSA-N 429.423 4.114 5 20 IIBD O=C(Nc1cccc(-c2noc(C(F)(F)F)n2)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 490279693 QKPIBMGGSOVFKR-UHFFFAOYSA-N 444.329 4.102 5 20 IIBD O=C(NCCOc1ncc(Cl)cc1Cl)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 491424015 OPHQQORMKQRJID-UHFFFAOYSA-N 425.272 4.050 5 20 IIBD O=C(Nc1cccc(Cn2cncn2)c1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 495087158 BWHFDWHXUBWFHC-UHFFFAOYSA-N 429.436 4.066 5 20 IIBD COc1ccc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1Oc1ccc(C)nn1 498315071 XNSIUNRVKRCRFZ-UHFFFAOYSA-N 433.424 4.088 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])N(Cc1csc(Br)c1)C1CC1 502387687 BZRHCWDVXNKGDV-UHFFFAOYSA-N 425.304 4.379 5 20 IIBD CCCC[C@H](NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(OC)cc1 503771220 PELXVXODFWTRLZ-FQEVSTJZSA-N 426.517 4.367 5 20 IIBD O=c1c2ccccc2nc(SCc2c(F)cc([N+](=O)[O-])cc2F)n1C[C@H]1CCCO1 505438362 ONEOQUKPFDAADY-CYBMUJFWSA-N 433.436 4.054 5 20 IIBD Cc1cc(C)cc(OC[C@H](O)COc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 506341481 WCNPBPUELXCDCG-OAQYLSRUSA-N 436.464 4.283 5 20 IIBD COc1cc(-c2noc(COc3cc(C)c([N+](=O)[O-])cc3Cl)n2)cc(OC)c1OC 506433480 NLQVKZQFDLVBGP-UHFFFAOYSA-N 435.820 4.211 5 20 IIBD O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 506495910 OSONCIUPPCPQBW-UHFFFAOYSA-N 448.831 4.042 5 20 IIBD COCCn1ccc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)n1 507104861 QXGBIKVJKZUSDX-UHFFFAOYSA-N 446.847 4.144 5 20 IIBD Cc1cc(C)c(S(=O)(=O)N(C)c2ncc3c(n2)-c2ccccc2SC3)cc1[N+](=O)[O-] 508087773 XRUPQQLFBODSNE-UHFFFAOYSA-N 442.522 4.099 5 20 IIBD CCOc1ccc(C(=O)N(C)[C@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 508504734 AJOSHKGTUGBKLU-KRWDZBQOSA-N 441.267 4.287 5 20 IIBD CCOc1ccc(C(=O)N(C)[C@@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 508504738 AJOSHKGTUGBKLU-QGZVFWFLSA-N 441.267 4.287 5 20 IIBD COc1ccc([C@@H](C)N(C)C(=O)c2ccc([N+](=O)[O-])cc2I)cc1 508800510 KMLFOULUMKFLIJ-LLVKDONJSA-N 440.237 4.041 5 20 IIBD CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)C1 508802205 PZPWOILIKXDNRV-XJKSGUPXSA-N 430.530 4.250 5 20 IIBD CCOc1cc(NC(=O)C(=O)N2CC(C)(C)[C@H]2c2cccs2)c([N+](=O)[O-])cc1OCC 511314428 NGOOTAYYWGNSFQ-GOSISDBHSA-N 447.513 4.002 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccccc2NC(=O)N2CCCC2)cc1[N+](=O)[O-] 512002262 RAVAMVSBHPMHSC-UHFFFAOYSA-N 444.513 4.103 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 512136537 DNTQVIKYYPRFHN-QGZVFWFLSA-N 449.492 4.216 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1 513955185 WHZBSWSRYLNFKC-UHFFFAOYSA-N 435.484 4.344 5 20 IIBD Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 514577525 GMWCXUDFVGUIJB-UHFFFAOYSA-N 433.420 4.179 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2c2nc([C@@H]3CCOc4ccccc43)no2)ccc1[N+](=O)[O-] 515092108 YECSHAQGCKEVHA-IEBWSBKVSA-N 434.452 4.178 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)cc1 515757505 LPDKVICYNFCCNP-GOSISDBHSA-N 439.331 4.318 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)Nc2c(F)cc(F)cc2-c2ccccc2)cc1[N+](=O)[O-] 517908524 FAXTUIONRDXELF-UHFFFAOYSA-N 432.404 4.196 5 20 IIBD O=C1CCC(=O)N1c1ccc(-c2nc(-c3cc(Cl)cc(Cl)c3)no2)cc1[N+](=O)[O-] 519673458 WJQKLHPAXSMRGX-UHFFFAOYSA-N 433.207 4.272 5 20 IIBD Cc1nc2c(s1)[C@@H](N(C)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])CCC2 520337449 WGMVQLCTTMSPBF-HNNXBMFYSA-N 429.420 4.450 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(-c2nc(-c3ccc(N(C)C(=O)c4ccncc4)cc3)no2)c1 520557331 KBWIRLVMPJFTSN-UHFFFAOYSA-N 445.435 4.382 5 20 IIBD Cc1c(Cl)cc(NC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cc1Cl 520614408 KFNQQJDOTDPGJY-UHFFFAOYSA-N 433.251 4.317 5 20 IIBD Cc1ccc(OCCC(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)c(Br)c1 521000292 SIKNYGAKCMVFRJ-UHFFFAOYSA-N 445.273 4.259 5 20 IIBD Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)nnn1-c1ccc(F)c(Cl)c1 521282380 LKPUSLXNXNQTOZ-UHFFFAOYSA-N 441.753 4.130 5 20 IIBD COc1cc(C(=O)NCc2cccc(COC(C)(C)C)c2)c([N+](=O)[O-])cc1OC(F)F 523873523 UCQSUYRGOJCMIJ-UHFFFAOYSA-N 438.427 4.450 5 20 IIBD COc1cccc(-n2c(NC(=O)Cc3ccc(OC)c([N+](=O)[O-])c3)nc3ccccc32)c1 525676251 GJYMBLAFRPZLLJ-UHFFFAOYSA-N 432.436 4.132 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1ccc(Cl)c2cccnc12 527365330 HNKQKPASPJYEOG-UHFFFAOYSA-N 426.860 4.172 5 20 IIBD CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)C2=O 531021812 LTSFKAYIICZNBF-UHFFFAOYSA-N 444.532 4.067 5 20 IIBD CC(C)c1cccc(NC(=O)C[S@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1 534796565 RRLWNAHCFVECDR-SSEXGKCCSA-N 427.482 4.261 5 20 IIBD C[C@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 535205341 ICNQVFWNJDXGDQ-IDPPAEMMSA-N 443.447 4.030 5 20 IIBD CCc1nc(-c2ccccc2NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)n[nH]1 535955325 UPKPFYIPSHJWTC-UHFFFAOYSA-N 445.483 4.056 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H](Oc2cccc(Cl)c2)C1 536251784 YDYSRIGGCPUNOE-MRXNPFEDSA-N 425.666 4.304 5 20 IIBD Cc1c(COC(C)(C)C)cccc1NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 537357621 MYHRDVOJUDIXBJ-UHFFFAOYSA-N 427.501 4.307 5 20 IIBD Cc1ccc(-c2nc(C)c([C@H](C)NC[C@H](O)COc3cccc([N+](=O)[O-])c3)s2)cc1 543515732 KELVCQDWKBLABX-KXBFYZLASA-N 427.526 4.426 5 20 IIBD CCn1c(SC[C@@H](O)COc2cc(C)ccc2Cl)nnc1-c1ccc([N+](=O)[O-])cc1 543663951 OFMNHEJMAHXNET-INIZCTEOSA-N 448.932 4.367 5 20 IIBD CC[C@@H]1CN(c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])CCCO1 544004171 YNDPZEDAQVPLPB-QGZVFWFLSA-N 433.530 4.018 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccc(NC(=O)CN2CCCCCC2)cc1 544087487 NTEOVQFTZLHEAE-UHFFFAOYSA-N 442.541 4.140 5 20 IIBD COc1cc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cc(OC)c1Br 545137360 KSOSDJCSTIRBNN-UHFFFAOYSA-N 441.253 4.430 5 20 IIBD COc1cc(Br)c(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cc1OC 546535675 ZTHONLOPCWGMHC-UHFFFAOYSA-N 441.253 4.430 5 20 IIBD CCc1[nH]nc(C(=O)Nc2cc(C)nn2-c2cc(C(F)(F)F)ccc2Cl)c1[N+](=O)[O-] 548195016 FKCJJJWPSKLTNE-UHFFFAOYSA-N 442.785 4.299 5 20 IIBD CCN(CC)C(=O)c1ccc(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1Cl 548947048 BBJMJCKALTTZHD-UHFFFAOYSA-N 432.908 4.437 5 20 IIBD Cc1cc(N2CCCCCC2)ccc1NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 552647581 UCOPYHZCQLZWAV-UHFFFAOYSA-N 444.919 4.306 5 20 IIBD CC1CCN(C[C@H](O)CNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 553778782 NDMZAEFMJLWFNB-GOSISDBHSA-N 433.936 4.223 5 20 IIBD COc1ccc(S(=O)(=O)N(Cc2ccccc2F)c2ccccc2F)c([N+](=O)[O-])c1 557309763 YGRMJUUUFRNDKE-UHFFFAOYSA-N 434.420 4.277 5 20 IIBD CC(C)(NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccccc1[N+](=O)[O-] 557970150 MJTMLOZXZQVSTK-INIZCTEOSA-N 429.904 4.152 5 20 IIBD COc1cc(OC)cc(C2(F)CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3OC)CC2)c1 558777541 OJIJZUBPLKQDJT-UHFFFAOYSA-N 433.436 4.113 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](c1ccccc1)c1nc2ccccc2n1C 558940615 MQLVBFWFLMBOCR-QHCPKHFHSA-N 443.507 4.455 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCc2ccn(C(C)C)n2)cc1[N+](=O)[O-] 562902088 MVSKAVCGOCLCOF-UHFFFAOYSA-N 438.509 4.255 5 20 IIBD C[C@@H](Oc1ccccc1NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F 568796729 MRGPJWNTEOPCGX-GFCCVEGCSA-N 425.363 4.220 5 20 IIBD COc1cc2nc(NC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])[nH]c2cc1OC 577256715 ZMIGCWXGGZOQFT-UHFFFAOYSA-N 448.435 4.320 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC(c2noc3cc(F)ccc23)CC1 580806400 MXABPACHTQRNOI-UHFFFAOYSA-N 435.415 4.081 5 20 IIBD Cc1cccnc1C(F)(F)c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 583049718 BXURBOBXTGQWOW-UHFFFAOYSA-N 425.189 4.175 5 20 IIBD COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C(=O)N2CCCCC2)cc1OC 603596673 KFIMGDLMJYQIBC-UHFFFAOYSA-N 447.875 4.144 5 20 IIBD C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 603741180 KDENTXCUVBGXMZ-IAGOWNOFSA-N 447.495 4.151 5 20 IIBD C[C@@H]1CCCCN1Cc1ccccc1CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 603766260 OZOSPOBQUWZXCL-GOSISDBHSA-N 433.512 4.085 5 20 IIBD C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1)c1cccc([N+](=O)[O-])c1 603965662 HSVXXCXWWUFHQV-INIZCTEOSA-N 445.541 4.039 5 20 IIBD O=C(NC[C@H](c1cccc(Cl)c1)N1CCOCC1)c1cc2cc([N+](=O)[O-])ccc2s1 608874035 UKBILBLQRHRGCT-GOSISDBHSA-N 445.928 4.266 5 20 IIBD Cc1cc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)n(-c2ccc(C(F)(F)F)cn2)n1 608944087 LLZIMKSLHOTLGF-UHFFFAOYSA-N 446.389 4.329 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC(C(=O)OC(C)(C)C)CC3)cc2[N+](=O)[O-])C1 608989653 VDIZIKWRVJSGHE-IRXDYDNUSA-N 445.560 4.271 5 20 IIBD CCC(=O)c1ccc(OCCCCC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 609011132 CDSSIOIPIUBJIF-UHFFFAOYSA-N 439.512 4.085 5 20 IIBD CCCCOc1ccc([C@H](C)N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC 609450893 AQOLUHZYQRXHIH-OXJNMPFZSA-N 427.501 4.238 5 20 IIBD O=c1c(Cl)c(NCc2ccccc2N2CCCC2)cnn1-c1ccc([N+](=O)[O-])cc1 609560398 LVTLMRCVMYHWNV-UHFFFAOYSA-N 425.876 4.006 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NC[C@@H]2OCCc3ccccc32)c([N+](=O)[O-])c1 609586495 LSZSAHYMALQLCQ-QHCPKHFHSA-N 446.459 4.338 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CCCCC[C@@H]2c2ccco2)cc1[N+](=O)[O-] 609908989 JRVBHODROKBXMI-OAHLLOKOSA-N 427.486 4.225 5 20 IIBD COc1cc(/C=C\c2ncc(C(=O)O)c(C(C)C)n2)c([N+](=O)[O-])cc1OCC(F)(F)F 610106688 YCKLVSTXOVPDMY-PLNGDYQASA-N 441.362 4.327 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@H]1c1ccccc1Br 610676334 ZKFFMYNHDGVTAW-KRWDZBQOSA-N 446.301 4.492 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1csc(-c2c(F)cccc2F)n1 726220715 WUBRCTBEGHYLQW-UHFFFAOYSA-N 433.392 4.100 5 20 IIBD CCOC(=O)c1oc2ccccc2c1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 727857621 ZMRPHLRKFBIENO-LBPRGKRZSA-N 446.843 4.255 5 20 IIBD Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 727994315 OBKYSEYSBYDAPD-FQEVSTJZSA-N 430.468 4.014 5 20 IIBD CC[C@H](C)c1ccccc1OCC(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730708484 OLSRVPSSBGUZRY-ROUUACIJSA-N 440.496 4.335 5 20 IIBD O=C(OCC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)c1ccc([N+](=O)[O-])c(F)c1 731515966 COZNURYHADMNAQ-UHFFFAOYSA-N 440.349 4.101 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCC(Cc2cccc(F)c2)CC1 731976973 UHJDWFQMAHUPIC-UHFFFAOYSA-N 428.432 4.189 5 20 IIBD CS(=O)(=O)c1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1 733644683 JZSQUUSNFYWGKN-UHFFFAOYSA-N 437.886 4.028 5 20 IIBD CN1C(=O)CC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H]1c1ccc(C(F)(F)F)cc1 734388956 MEOYVLQYQCAVJP-RDTXWAMCSA-N 439.365 4.301 5 20 IIBD CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3cc([N+](=O)[O-])c(Cl)cc3C)cc2)c1C 735802659 BEYLAIOFDFIABZ-UHFFFAOYSA-N 442.859 4.480 5 20 IIBD O=C(Nc1ccccc1OCC1CC1)c1ccc(I)c([N+](=O)[O-])c1 740808697 HOOCFLWAGCRMOL-UHFFFAOYSA-N 438.221 4.241 5 20 IIBD O=C(NC[C@H](O)c1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])cc1Br 740941718 WKUQXGLPPMVKQP-ZDUSSCGKSA-N 434.073 4.128 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(Cl)c1 743791270 CRNLRDKTGHAVNZ-MRXNPFEDSA-N 445.884 4.406 5 20 IIBD CN(C(=O)C1CCC(c2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 744036039 VCCZLAPIEDZQFO-UHFFFAOYSA-N 436.917 4.369 5 20 IIBD O=C(NS(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccccc1Sc1ccccc1 744041681 XVESDOWXBUFXKD-UHFFFAOYSA-N 432.454 4.004 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Oc2ccc(N(C)C(=O)OC(C)(C)C)cc2)cc1[N+](=O)[O-] 744371769 GJSBGSRVHRUYMR-UHFFFAOYSA-N 431.401 4.402 5 20 IIBD C[C@@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 745074970 YAKRWLSLODXZOY-GFCCVEGCSA-N 440.374 4.341 5 20 IIBD COc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c(C)c1 745335893 DNRFSXJWEQVONY-LLVKDONJSA-N 426.347 4.115 5 20 IIBD CC(C)[C@H](OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)N1C[C@H](C)C[C@@H](C)C1 745565460 NUZCUACVNRTWFX-XNJGSVPQSA-N 430.423 4.300 5 20 IIBD O=[N+]([O-])c1nn(CN(Cc2cc(Br)ccc2F)C2CC2)cc1Br 746708031 DRRPGSGMCWGFIB-UHFFFAOYSA-N 448.090 4.078 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NC[C@@H](O)c3ccccc3F)cc2[N+](=O)[O-])n1 746708409 QTWATCBLRZVBPE-MRXNPFEDSA-N 433.486 4.113 5 20 IIBD O=C(COc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 747810916 FRQAYPQHBUZBRJ-QGZVFWFLSA-N 432.860 4.152 5 20 IIBD Cc1cc(C)n(Cc2cccc(C(=O)O[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c2)n1 748893704 HOTKFPLOKNSJBG-MRXNPFEDSA-N 447.451 4.424 5 20 IIBD Cc1ccc(C(C)C)c(OCC(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)c1 750433642 LJCMPCKQWUVWMW-UHFFFAOYSA-N 427.501 4.260 5 20 IIBD CN(C(=O)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2)c1ccc(-c2ccccc2)cc1 751286245 VIYQAXKMRSRLQK-UHFFFAOYSA-N 435.392 4.218 5 20 IIBD O=C(COC(=O)c1c(F)ccc([N+](=O)[O-])c1F)Nc1cccc(Oc2ccccc2)c1 752559754 QSNCHPIHKJNWII-UHFFFAOYSA-N 428.347 4.461 5 20 IIBD CCOc1ccccc1[C@@H](CC)NC(=O)COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F 754984937 SSHLJNRBPFZNKG-MRXNPFEDSA-N 438.839 4.210 5 20 IIBD Cc1nnc(-c2cccc(NC(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)c2)n1C 755027948 GREKFZNHUTUCRY-UHFFFAOYSA-N 431.250 4.105 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC(C3(C)OCCO3)CC2)c([N+](=O)[O-])c1 756082148 OQZYTDXEFVICQN-JOCHJYFZSA-N 439.512 4.058 5 20 IIBD O=C(NCCOc1ccccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1Br 758306948 OICJHEMZAPWJDQ-UHFFFAOYSA-N 433.180 4.185 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2cnc(Cl)c(Br)c2)cc1SC 759160691 SIEHUZMQBANVSN-UHFFFAOYSA-N 432.683 4.389 5 20 IIBD CC(C)(C)C1=CCN(C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 759858757 CRIGVPPUXUWVRQ-UHFFFAOYSA-N 444.509 4.181 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(-c3ccnc(OCc4ccccc4)c3)no2)ccc1-n1ccnc1 761685636 HLEGJLHDTWPCFP-UHFFFAOYSA-N 440.419 4.472 5 20 IIBD COCCOc1ccc(Cl)cc1-c1noc(CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 762259929 YCWAHBFODALLBZ-UHFFFAOYSA-N 448.819 4.017 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1COCC[C@@H]1NCCCCc1ccc([N+](=O)[O-])cc1 762769234 ZXNOZUYPDYONAZ-FDFHNCONSA-N 447.576 4.312 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCc1csc(-c2ccc(C(N)=O)cc2)n1 765525260 CEQNCZOIYCPKNB-OAHLLOKOSA-N 439.493 4.129 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC(=O)N(CC)c1nc2ccccc2s1 765531987 UKNRJBRSWZZNCB-MRXNPFEDSA-N 441.509 4.370 5 20 IIBD COc1cc(CN(Cc2ccco2)S(=O)(=O)/C=C\c2ccccc2)c([N+](=O)[O-])cc1F 766059025 IBGRACMUJOJIIM-LUAWRHEFSA-N 446.456 4.338 5 20 IIBD COc1cccc([C@H](O)CN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)Cc2ccccc2)c1 766973559 VRZCDOPGMLNMBT-XMMPIXPASA-N 449.507 4.086 5 20 IIBD CCC(C)(CC)C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 767045996 VFQTVTWXWYHZPG-PTNGSMBKSA-N 439.921 4.227 5 20 IIBD O=C(NCc1cc2cc(Br)ccc2[nH]1)c1cc([N+](=O)[O-])ccc1N1CCCC1 768610853 JOPRPQLNQKNHIY-UHFFFAOYSA-N 443.301 4.369 5 20 IIBD CC(=O)[C@@H](Cc1ccc(F)c(F)c1F)OC(=O)c1cc(Br)cc([N+](=O)[O-])c1 768773443 FBWODFLJHGZLKP-CQSZACIVSA-N 446.175 4.132 5 20 IIBD CC[C@H](OC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)c1cc(C)ccc1OC 772490976 BJWUJJPLWDFLLX-FQEVSTJZSA-N 437.452 4.074 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Oc1cc(Cl)cnc1Br 775511200 XIBYHKYPDYKEKP-ZETCQYMHSA-N 436.045 4.432 5 20 IIBD Cc1ccc([C@H](C)NCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1[N+](=O)[O-] 775549210 JRKKFAMWRUTKRV-KRWDZBQOSA-N 432.480 4.445 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(NC(=O)c2cccs2)c1 777916396 ZHLCLRASEXQDAO-UHFFFAOYSA-N 435.458 4.157 5 20 IIBD C[C@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccncc2)cc1 778002086 XLVHBPNQEMDODF-AWEZNQCLSA-N 440.406 4.211 5 20 IIBD O=C(O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 778813630 IXNZCEREKKAMDF-LBPRGKRZSA-N 443.309 4.097 5 20 IIBD COc1ccc(CN[C@H](C)c2ccc(CNC(=O)OC(C)(C)C)nc2C)cc1[N+](=O)[O-] 779034975 BDWVEJKLBPFKDA-CQSZACIVSA-N 430.505 4.182 5 20 IIBD C[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 780545698 STJCZFILEPIQAI-AEFFLSMTSA-N 449.551 4.447 5 20 IIBD COc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c(OC)c1 781259420 JIONACRUUPXWJV-CQSZACIVSA-N 431.444 4.127 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Oc1ccc(NC(=O)c2cccs2)cc1 781562958 YJRISBHPANMKQR-UHFFFAOYSA-N 441.421 4.355 5 20 IIBD O=[N+]([O-])c1cccc([C@H](O)CN(Cc2cccc(Br)c2)C2CCOCC2)c1 786443788 YHRBBPJSRSRHJT-HXUWFJFHSA-N 435.318 4.072 5 20 IIBD C[C@](O)(C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 787605580 NIAKJRJWLZGZJI-MRXNPFEDSA-N 436.308 4.156 5 20 IIBD O=C(N[C@@H]1CCc2nc(C3CCCCC3)[nH]c2C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 788243408 MJIFOVQMMBWVFM-GOSISDBHSA-N 437.544 4.253 5 20 IIBD C[C@@H](OC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)C(=O)c1ccccc1C(F)(F)F 789051466 NOFSNCKBZXBQKS-SNVBAGLBSA-N 434.326 4.296 5 20 IIBD O=C(O[C@H]1CCc2cccnc21)c1cc(C(=O)O[C@@H]2CCc3cccnc32)cc([N+](=O)[O-])c1 789676332 RRHFKNXRPIWAEA-BGYRXZFFSA-N 445.431 4.073 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1nc(Br)ccc1Br)CC2 790851476 PSPLEVVANKMUOR-UHFFFAOYSA-N 441.079 4.026 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cnc1Br 790936638 SGMMNYHGCQHGFT-UHFFFAOYSA-N 429.068 4.384 5 20 IIBD Cc1c(Br)cccc1CC(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 791505917 PYDZNKUDGSCEAQ-CYBMUJFWSA-N 435.274 4.087 5 20 IIBD Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)OCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c12 791569228 GGRBMNINXMYKKC-UHFFFAOYSA-N 447.407 4.117 5 20 IIBD Cc1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc(-c2ccc(Cl)cc2)n1 792049334 HUFGHBPOGZRCRZ-UHFFFAOYSA-N 428.788 4.279 5 20 IIBD CNC(=O)Oc1cccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 795013325 UHASBFZMRKOCRT-UHFFFAOYSA-N 429.376 4.063 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1ccc(F)c(N2CCOC2=O)c1 797660646 FATTZPIKHFWRFH-UHFFFAOYSA-N 442.325 4.031 5 20 IIBD CCN(c1ccc(Cl)cc1F)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 799546836 USEMJJZEACPQQH-UHFFFAOYSA-N 437.674 4.365 5 20 IIBD O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCC[C@H](N2CCCCC2=O)C1 799630130 TYAAVGPOBDXWBL-KRWDZBQOSA-N 439.537 4.363 5 20 IIBD CCCc1c(NC(=O)C(=O)Nc2c(F)ccc([N+](=O)[O-])c2C)cnn1-c1cccc(C)c1 800633640 GJBHHRDNEXGQQK-UHFFFAOYSA-N 439.447 4.066 5 20 IIBD COc1cc(C(=O)OCc2coc(C(C)(C)C)n2)c([N+](=O)[O-])cc1OCc1cscn1 802271278 AHTKYUVSHYBEMT-UHFFFAOYSA-N 447.469 4.281 5 20 IIBD Cc1ccc([C@@H](O)[C@@H](C)NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cc1 804493215 NFWMZEGAHODBCS-BLVKFPJESA-N 449.294 4.248 5 20 IIBD COc1cccc2c1CC[C@@H]2NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 806964887 ZMFNSKHZCNXCRL-KRWDZBQOSA-N 446.301 4.121 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H](c2ccccc2)c2cccnc2)c(Cl)cc1Cl 809817260 YYPBMAOTHLWQTQ-SFHVURJKSA-N 438.292 4.365 5 20 IIBD Cc1noc(C)c1[C@H](C)CC(=O)OCc1cc(I)cc([N+](=O)[O-])c1 811039064 YGOOOXSZHVLILU-SECBINFHSA-N 444.225 4.041 5 20 IIBD CC(=O)N[C@H](CC(=O)OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1c(F)cccc1F 811086317 SNYSMZYXBABFOX-OAHLLOKOSA-N 447.221 4.491 5 20 IIBD CC(C)(CCc1noc([C@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)n1)[N+](=O)[O-] 812812937 YXZODZSOVZXBBS-VGMNTSGFSA-N 432.908 4.478 5 20 IIBD C[C@@H](C(=O)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CN(C(=O)OC(C)(C)C)C1 815241630 WKASUBXVXZZKLG-LLVKDONJSA-N 432.395 4.160 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CC[C@H](Sc2cccc(Cl)c2)C1 815753896 WNBZXOWUXWCSHD-AWEZNQCLSA-N 440.308 4.233 5 20 IIBD O=C(O[C@@H](c1nc2ccccc2o1)C(F)(F)F)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 816064914 TUFADVXOFYDHPV-INIZCTEOSA-N 432.314 4.382 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)O[C@H](C(=O)NC(C)(C)C)C(C)C)cc1 915250435 STUKLLQOJQRJJW-FQEVSTJZSA-N 444.484 4.492 5 20 IIBD COc1cc(C)c([C@@H](C)Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])cc1OC 917068071 OFCMRBQZVZPSJQ-LLVKDONJSA-N 448.419 4.387 5 20 IIBD COCCOc1ccc(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c(C)c1 917641176 UCKCBYJJROKXSS-ZDUSSCGKSA-N 441.406 4.386 5 20 IIBD Cc1c(NC(=O)[C@H](C)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cccc1[N+](=O)[O-] 917936969 XTUHSTSLLMMRCZ-LZWOXQAQSA-N 430.480 4.095 5 20 IIBD COc1cc(C)ccc1Oc1ccc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cn1 918399032 GIFIANMLMCWQQV-UHFFFAOYSA-N 433.417 4.039 5 20 IIBD O=C(N[C@@H](c1ccccc1)C1CCCC1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 918644537 CCHBZXWZCPIUNZ-JTSKRJEESA-N 425.460 4.135 5 20 IIBD CNc1ccc(C(=O)OCc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)cc1[N+](=O)[O-] 918825223 PLTKWCKFZIPLQJ-UHFFFAOYSA-N 440.477 4.135 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O 921275961 HPDDHZDQLCGHRL-LICLKQGHSA-N 445.884 4.023 5 20 IIBD CC1CCN(c2ccc(C(=O)NC3CCN(c4cccc(F)c4)CC3)cc2[N+](=O)[O-])CC1 1116112525 ZQJFYRACLFMRMC-UHFFFAOYSA-N 440.519 4.369 5 20 IIBD O=C(Nc1ccc(SC(F)(F)F)cc1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 1317994052 JEWMOEANGOBINI-SNVBAGLBSA-N 443.378 4.337 5 20 IIBD Cc1cc(-c2nnc(-c3ccc(Cn4nnc(-c5ccccc5)n4)cc3)o2)ccc1[N+](=O)[O-] 1322068407 LFJPREAXYQJHMT-UHFFFAOYSA-N 439.435 4.322 5 20 IIBD CC[C@H](C)CC(=O)Nc1ccc(C2(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)CCC2)cc1 1786259811 DWHMKCNNDUACSG-HNNXBMFYSA-N 425.485 4.484 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@H]3C[C@]3(F)Cl)CCC2)cc1)c1cccc(F)c1[N+](=O)[O-] 1790699256 YHTZTGIIJULPNM-QVKFZJNVSA-N 449.841 4.406 5 20 IIBD Cc1cscc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc(Cl)cc1[N+](=O)[O-])C2 1797044915 SMHCJCIHBUNNNT-BJWYYQGGSA-N 447.944 4.113 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc2ccoc2c1 1800530737 UUGFQSBFERATAD-BJWYYQGGSA-N 437.427 4.046 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc(Br)ccc1Cl 11481396 JACJTRUKGIKVGA-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD C[C@@H](OC(=O)c1cc(Br)ccc1Cl)C(=O)Nc1ccccc1[N+](=O)[O-] 11481533 YHAYPPLPWMQCOK-SECBINFHSA-N 427.638 4.195 5 20 IIBD Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)nnc1-c1cccs1 11712173 GODYCJHVQIBMQS-UHFFFAOYSA-N 443.432 4.201 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)COc1cccc2ccccc12)c1ccccc1[N+](=O)[O-] 14377534 ANQPXXPXPJILJH-HXUWFJFHSA-N 436.464 4.326 5 20 IIBD CSc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1[N+](=O)[O-] 15704631 YJGIMSRHRLMCTN-UHFFFAOYSA-N 449.554 4.052 5 20 IIBD Cc1ccccc1-n1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccncc1 20789040 ODBIJZMWWPQLIB-UHFFFAOYSA-N 446.492 4.277 5 20 IIBD COc1ccc(Cl)cc1-c1n[nH]c(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)n1 23777458 MWDNLCREFJXEOV-NSHDSACASA-N 447.904 4.470 5 20 IIBD COc1cc(CSc2nncn2CCc2cccs2)c([N+](=O)[O-])cc1OC(F)F 29988844 JJHBQYYFHSAENC-UHFFFAOYSA-N 442.469 4.393 5 20 IIBD CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] 31929989 XMHIEMZTBFUKDH-NRFANRHFSA-N 425.529 4.305 5 20 IIBD Cc1nc2c3ccccc3nc(S[C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)n2n1 45699363 NHENQIBBGUQEGY-NSHDSACASA-N 433.453 4.397 5 20 IIBD O=C(N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 64934334 AVOXINLAQCNTFX-HXUWFJFHSA-N 437.477 4.371 5 20 IIBD CC1CCN([C@@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c2cccs2)CC1 109265559 WBFZWIHHSNFOAN-FQEVSTJZSA-N 439.541 4.045 5 20 IIBD CCN(CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1)c1ccco1 109302734 SKQPUCXSJBMSPV-OAQYLSRUSA-N 428.533 4.237 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(F)ccc2N2CCCCC2)cc1OC 110501373 QFPHKYCANRJRQS-UHFFFAOYSA-N 447.463 4.010 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNCc3nccn3C(F)F)o2)c(Br)c1 237681151 COOHUVKZNCPVTH-UHFFFAOYSA-N 427.205 4.499 5 20 IIBD NS(=O)(=O)c1cccc(NCc2ccc(Sc3ccc(F)cc3)cc2)c1[N+](=O)[O-] 302139362 DAFJQTRMQCBXGR-UHFFFAOYSA-N 433.486 4.145 5 20 IIBD CC(=O)Nc1ccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c(C(F)(F)F)c1 303056121 KKWPVTLIQQXHLS-UHFFFAOYSA-N 433.346 4.010 5 20 IIBD Cc1ccc(CN2CCSCC2)cc1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 303074443 ABRIXKZTOCKTFS-UHFFFAOYSA-N 428.558 4.283 5 20 IIBD O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 303408559 QNNJKKRPCOQZGG-UHFFFAOYSA-N 432.267 4.287 5 20 IIBD CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303432150 GAQFVWRKLYWMOQ-LBPRGKRZSA-N 427.935 4.025 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 303635121 GMQXQDIAVWGWLD-KGLIPLIRSA-N 437.468 4.072 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 409652028 KUEPGYKKVUATPX-KRWDZBQOSA-N 434.880 4.040 5 20 IIBD C[C@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 409666729 PCFDFBTUMPYZMN-GXTWGEPZSA-N 438.347 4.059 5 20 IIBD COC(=O)C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(OC(F)(F)F)cc1 409751656 QNEGWUBVDCJXHJ-OAHLLOKOSA-N 441.362 4.228 5 20 IIBD C[C@H]1C(=O)Nc2cc(C(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)ccc2N1C 426327583 URVBEYXZKQLZCI-AWEZNQCLSA-N 432.436 4.416 5 20 IIBD CCN(C(=O)c1cc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)ccc1Cl)C(C)C 427934070 KMKOUXONTWTQGN-UHFFFAOYSA-N 429.864 4.247 5 20 IIBD O=C(O)[C@@H]1CCCN1C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 428046546 VPUYDMBGWWETGH-NZHZHZHDSA-N 437.477 4.211 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C 428795906 UESFZNYXNUVPEG-KDOFPFPSSA-N 437.418 4.323 5 20 IIBD CCN(C(=O)c1cc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)ccc1Cl)C(C)C 430829328 YMFIRBQXBRTWRU-UHFFFAOYSA-N 433.892 4.445 5 20 IIBD O=C(Nc1nnc(Cc2ccccc2F)s1)c1cc(Br)cc([N+](=O)[O-])c1 432682958 WEQJTFXXCQQLDT-UHFFFAOYSA-N 437.250 4.191 5 20 IIBD CSC1(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCC1 433714295 QNYHYEIOWOXVQO-UHFFFAOYSA-N 431.480 4.232 5 20 IIBD COc1ccc(NC(=O)c2cccc(OC)c2[N+](=O)[O-])cc1NC(=O)C1CCCCC1 435868520 FMDPHQOZTZLSPG-UHFFFAOYSA-N 427.457 4.383 5 20 IIBD COc1ccc(CN[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)nc1 435887818 DXTYDINCSMDDJI-FQEVSTJZSA-N 426.860 4.121 5 20 IIBD Cc1nc(-c2cccc(NC(=O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)c2)cs1 437054541 DWKYXFLWGCANHC-UHFFFAOYSA-N 436.493 4.156 5 20 IIBD Cc1ccc(Oc2ccccc2)c(NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)c1 440630614 YRVNXQQUDGFWCI-UHFFFAOYSA-N 434.452 4.133 5 20 IIBD Cn1c(=O)n(C)c2cc(NC(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])ccc21 440723662 WKKBCRAZFCCWGC-UHFFFAOYSA-N 434.477 4.189 5 20 IIBD CC[C@@H](CSC)N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 441592221 QUQSMRVPLFVCEN-LBPRGKRZSA-N 439.584 4.346 5 20 IIBD Cc1c(NC(=O)C(=O)N(C)[C@H](c2ccncc2)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 441848768 YPDALPVGCQFMES-FQEVSTJZSA-N 438.871 4.138 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 443418793 ONHUULYCCSUAFU-UHFFFAOYSA-N 438.811 4.174 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@H](Oc2ccccc2Cl)C1 443661873 VAHMNVPCTQOGGL-INIZCTEOSA-N 431.876 4.090 5 20 IIBD C[C@H](NC(=O)Cc1noc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1)c1ccccc1 445291675 MYLIKPXDYGPKDA-ZDUSSCGKSA-N 435.465 4.188 5 20 IIBD O=C(Cc1noc(-c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)n1)Nc1cccc2ccccc12 445346209 VZKXVJPOVJACQB-UHFFFAOYSA-N 440.419 4.165 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1C(=O)Nc1cc(C)ccc1OC 462617411 CHVJTOAXDBPJSA-GHTZIAJQSA-N 439.512 4.110 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)C[C@H]1CCN(Cc2ccccc2)C1 464834830 HKLBITPADJTFRP-FUHWJXTLSA-N 430.936 4.029 5 20 IIBD CCOc1ccccc1Oc1ccc(CNC(=O)NCCc2ccccc2[N+](=O)[O-])cn1 465647647 ASGWQOIHFJWZSB-UHFFFAOYSA-N 436.468 4.223 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(O[C@H]2CCN(C)C2=O)cc1C 466536373 NXTSSNVUDNDOGF-IBGZPJMESA-N 443.525 4.267 5 20 IIBD O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1cnn(-c2ccccc2)c1C(F)(F)F 469180432 IFVWJCZIWLBQNY-UHFFFAOYSA-N 427.342 4.600 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCSC[C@@H]1c1nccs1 472086915 ZOENULGDEIJDSP-CQSZACIVSA-N 446.476 4.189 5 20 IIBD C[C@@H](NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1cccc([N+](=O)[O-])c1 473426141 NOJCTTVSIRWZJD-BZNIZROVSA-N 437.283 4.067 5 20 IIBD Cn1c(COc2ccc(Cl)cc2)nnc1SCc1nc2ccc([N+](=O)[O-])cc2[nH]1 473784658 ICXBFTIJDDWFDS-UHFFFAOYSA-N 430.877 4.124 5 20 IIBD CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)Cc1cccc([N+](=O)[O-])c1 475686648 KMMYFUDYKAEBSQ-SFHVURJKSA-N 435.318 4.054 5 20 IIBD CCc1ccc(OCc2nnc(SCc3c([N+](=O)[O-])ncn3C)n2CC(C)C)cc1 476516407 PPALAFQXARWXHZ-UHFFFAOYSA-N 430.534 4.010 5 20 IIBD O=C(CN1CC[C@]2(CCCN(Cc3ccccc3)C2)C1)Nc1ccc([N+](=O)[O-])cc1Cl 477047682 YNCCDWDUSGQJLI-QHCPKHFHSA-N 442.947 4.175 5 20 IIBD COC(=O)CCSc1cccc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 477477983 FIFBQLCZDHZFJY-UHFFFAOYSA-N 437.905 4.268 5 20 IIBD CC(C)(C)OC(=O)[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 479579113 MCXFPQPQJACNPB-MRXNPFEDSA-N 435.274 4.170 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](CCc2ccccc2)C(F)(F)F)cc1OC 479760661 UDUCXIAXDOBWMB-GOSISDBHSA-N 426.391 4.296 5 20 IIBD COCCCC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccccc1 480631666 RZCCOPCDMMSCRM-QGZVFWFLSA-N 446.447 4.450 5 20 IIBD COC(=O)C[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(C(F)(F)F)cc1 481613264 OSOUBFFAVWUWRB-CQSZACIVSA-N 441.362 4.048 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 486820617 PUCBDOLPUAWOJK-MUUNZHRXSA-N 442.946 4.118 5 20 IIBD CC(C)COc1ccc(C2(C(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)CCC2)cc1 487091738 WHMHICUWENKIBJ-UHFFFAOYSA-N 426.517 4.112 5 20 IIBD COC(=O)[C@@](C)(CNC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C)c1ccc(F)cc1 487583449 JNTJKQZYPODWDZ-NRFANRHFSA-N 434.489 4.095 5 20 IIBD O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 489294427 LWRZOLXNXDAMRK-UHFFFAOYSA-N 433.255 4.309 5 20 IIBD Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 490641299 WRIFHLITSHZFOK-NRFANRHFSA-N 425.533 4.295 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1CSCc1nnnn1-c1ccccc1Br 490882364 FLUQBYPIEUEFNY-UHFFFAOYSA-N 440.710 4.420 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3nnc(-c4ccco4)s3)cc2[N+](=O)[O-])C1 491335138 XHMGAARCPZZEQW-CHWSQXEVSA-N 427.486 4.441 5 20 IIBD C[C@H]1CN(Cc2ccccc2NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C[C@H](C)O1 494223503 MZKYSCSBPNFWMI-ROUUACIJSA-N 438.528 4.401 5 20 IIBD CCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)[C@@H](c1ccc(Cl)cc1)c1cccnc1 496446051 FLSQJJJTYBCPSQ-NRFANRHFSA-N 427.892 4.176 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2 497432270 FTJVCIXSBWKDAN-ROUUACIJSA-N 442.418 4.360 5 20 IIBD COc1cc(CCNC(=O)N[C@@H]2CC=C(c3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1OC 498137131 ORFPFIPNKLEXGU-LJQANCHMSA-N 443.475 4.229 5 20 IIBD COc1cc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC(F)F 498152815 LNHZIZAZVRVMKK-SFHVURJKSA-N 440.424 4.101 5 20 IIBD CN(C)C(=O)Nc1ccc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)c(Cl)c1 498158849 BQSLZKJVLSKXBE-SFHVURJKSA-N 434.905 4.230 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 498305389 WMXGVXPYTRUQFI-MRVPVSSYSA-N 438.328 4.480 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 499510282 NBDURFHPGPQCQE-ZDUSSCGKSA-N 439.365 4.244 5 20 IIBD C[C@]1(F)CCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)C1 501432968 DVVPHSVEYWCYMJ-MJGOQNOKSA-N 436.281 4.471 5 20 IIBD O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(c3ccc(C(F)(F)F)nn3)CC2)s1 502398005 MMDHVPIPGWBDEL-UHFFFAOYSA-N 449.458 4.454 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)nc(SCCOCCO)n2-c1cccc(C(F)(F)F)c1 502578713 ZPBQAPRMRNIDOF-UHFFFAOYSA-N 427.404 4.054 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc2c1OCCC2=O 503666360 KOXKOWBLEAKVPX-UHFFFAOYSA-N 426.372 4.310 5 20 IIBD CCOc1cc(C(=O)N2CCC[C@@H](Oc3ccccc3Cl)C2)c([N+](=O)[O-])cc1OC 504634280 FPVHMGFJLJZETC-CQSZACIVSA-N 434.876 4.339 5 20 IIBD CC1(C)CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C[C@](C)(C(F)(F)F)O1 505786863 GZJZJFBARZJRPO-JOCHJYFZSA-N 432.442 4.113 5 20 IIBD CCn1c([C@H]2CCCN2C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)nc2ccccc21 506196692 OAAGXQKOXMOSPD-OAQYLSRUSA-N 430.468 4.127 5 20 IIBD CCSc1nnc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)s1 506234894 TVJZGIGEQPTMOI-NSHDSACASA-N 430.515 4.379 5 20 IIBD COC(=O)c1cc(C(=O)NCc2nc(-c3ccc(Cl)cc3)c(C)s2)cc([N+](=O)[O-])c1 507940101 SJEMKFSHEVQVKD-UHFFFAOYSA-N 445.884 4.397 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CC[C@H]2c2ccc(Cl)cc2)c1 511272297 OQEMJHJMMSUFIE-HNNXBMFYSA-N 431.695 4.146 5 20 IIBD O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(Cl)cc1[N+](=O)[O-] 511843217 IFMDQEZLKYLMNT-HNNXBMFYSA-N 427.810 4.271 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 512263338 RRROVPGIVPMEHL-GAJHUEQPSA-N 442.947 4.173 5 20 IIBD CC1CCC(NS(=O)(=O)c2ccc(N3CCC[C@@H]3c3ccccn3)c([N+](=O)[O-])c2)CC1 516238047 HWECFPLRLCXNHX-LBXVMSDZSA-N 444.557 4.188 5 20 IIBD COCCOc1c(Cl)cccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 519096078 QBKHSGISUDNMNH-UHFFFAOYSA-N 436.895 4.472 5 20 IIBD O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 519137397 VYWMSTCNKZEORC-UHFFFAOYSA-N 433.449 4.347 5 20 IIBD CCN(C[C@H]1CCCO1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 520107285 GXKZOBCENHTMAF-JOCHJYFZSA-N 434.496 4.018 5 20 IIBD CCN1CCC(N(C)C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 520640167 GTJHOPGOOPKHJV-UHFFFAOYSA-N 430.936 4.417 5 20 IIBD COc1cc([C@H](C)NC(=O)CNc2ccccc2[N+](=O)[O-])ccc1OCc1ccccc1 521593057 FAQWTAMXCYKAQL-KRWDZBQOSA-N 435.480 4.472 5 20 IIBD CCOc1ccc(C(F)(F)F)cc1NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 521927139 YZUPCWKCOWYJMF-UHFFFAOYSA-N 445.781 4.034 5 20 IIBD Cc1ccc(-c2noc(CCC(=O)Nc3cc(-c4cccc([N+](=O)[O-])c4)[nH]n3)n2)cc1F 522357354 IUTAHPFSTCLYBY-UHFFFAOYSA-N 436.403 4.054 5 20 IIBD C[C@@H](NC(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1)c1cccc([N+](=O)[O-])c1 524211183 GXYPELSKAQKSEK-RHSMWYFYSA-N 439.447 4.434 5 20 IIBD Cc1nccn1-c1ccc(CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1F 524837977 OKLFLIZJSYLAJO-UHFFFAOYSA-N 425.464 4.050 5 20 IIBD O=C(N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)c1c[nH]c2cccc([N+](=O)[O-])c12 534981308 ATLUOMQRGBOQCO-FQEVSTJZSA-N 441.447 4.372 5 20 IIBD CC(C)c1cc(Br)ccc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 535539897 UOJFMVYFEOMXQY-UHFFFAOYSA-N 448.321 4.230 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1C 535825779 RFBUYIGUKOUTEU-UHFFFAOYSA-N 433.530 4.158 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1[N+](=O)[O-])c1ccccn1 535862925 VUJNUMOVBBWVCZ-FVFSHSICSA-N 436.512 4.240 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)[C@H]1CCC(=O)[C@H](C)C1 537092546 ADTGWZXVWAYKJO-OCCSQVGLSA-N 430.482 4.444 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(F)cc2OCC(F)F)c(C(F)(F)F)c1 538016672 QKDLJDQSVPUXTI-UHFFFAOYSA-N 444.309 4.197 5 20 IIBD Cc1sc(NS(=O)(=O)Cc2ccc(F)cc2F)nc1-c1cccc([N+](=O)[O-])c1 538978616 XPPNUUIUTVQZIG-UHFFFAOYSA-N 425.438 4.247 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1ccc(F)c(Cl)c1 539533672 GJZMHMZSJGWFFU-UHFFFAOYSA-N 426.853 4.319 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 540250158 PCLOISYDHJEGKQ-RNCGHPTOSA-N 443.258 4.454 5 20 IIBD CCOc1cccc([C@H]2C[C@H]2NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c1 540537606 FDDAULJGLUQPFX-FGZHOGPDSA-N 434.496 4.141 5 20 IIBD COc1cccc([C@@H]2C[C@@H](C)CN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 542242216 VDMKMJFWRCKUGF-PXAZEXFGSA-N 444.431 4.394 5 20 IIBD COc1ccc(NC(=O)NCc2cc(Br)ccc2OC(F)F)cc1[N+](=O)[O-] 542965161 ZNLHHIGJGIRABE-UHFFFAOYSA-N 446.204 4.289 5 20 IIBD C[C@@H](CC(=O)O)c1ccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 543166518 SHDGQAXEDVANCC-VIFPVBQESA-N 433.269 4.281 5 20 IIBD NC(=O)c1ccc(N2CCCCC2)c(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1 543268538 QOTLOGLRWBCFQO-UHFFFAOYSA-N 448.932 4.068 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc(Oc2ccc(C)cc2OC)nc1 544219760 XGSYKKLJOPQUHQ-UHFFFAOYSA-N 438.440 4.429 5 20 IIBD CN1CCN(c2ccccc2-c2noc(-c3csc(-c4cccc([N+](=O)[O-])c4)n3)n2)CC1 545715713 SYMZUIKQRMNWNM-UHFFFAOYSA-N 448.508 4.187 5 20 IIBD CCC(CC)(CNc1cc2ncnc(O)c2cc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 547304434 PPJVFIVQHKNVGH-UHFFFAOYSA-N 426.473 4.431 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCNC1(Cc2ccc(F)cc2Cl)CCOCC1 550409697 VVXAGDZKXFTXOO-UHFFFAOYSA-N 449.910 4.406 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 554232593 JCORWSOVBSCZAA-UHFFFAOYSA-N 435.362 4.370 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ncc(Br)cn1 557150328 VZYBSYOGJBAVLX-LLVKDONJSA-N 439.335 4.386 5 20 IIBD CC[C@@H](C)c1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1C[C@@H]1CCCCO1 559205668 IZUWFTHNAKYBMW-UTKZUKDTSA-N 443.548 4.317 5 20 IIBD C[C@H](C(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl)c1cccc([N+](=O)[O-])c1 559374949 WIFGJBCEBOSCHA-NSHDSACASA-N 431.798 4.351 5 20 IIBD CCc1cccc2c1OCC[C@@H]2NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 560177039 DWTNVDAEQCXZDP-SFHVURJKSA-N 425.485 4.033 5 20 IIBD CC(=O)c1cc(N2CCC(C(=O)Nc3ccccc3Br)CC2)ccc1[N+](=O)[O-] 561185061 NMQWWXLNNPHPDM-UHFFFAOYSA-N 446.301 4.415 5 20 IIBD COc1cc(CN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C2CC2)ccc1O 566334313 PSGYNOAPLFTFOD-UHFFFAOYSA-N 435.274 4.185 5 20 IIBD COC[C@@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1cccc(Cl)c1 567024677 XUEFFRPWXJOFKC-OAHLLOKOSA-N 432.782 4.307 5 20 IIBD COCCN(C(=O)c1cccc(-n2cccn2)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 567955326 ASLUCVOJJZJRRE-UHFFFAOYSA-N 449.492 4.197 5 20 IIBD CC1(C)CCC[C@@H](c2noc([C@H]3CCCN3S(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)C1 570760164 AKJIFDBLWUJPKX-RHSMWYFYSA-N 434.518 4.187 5 20 IIBD COc1ccc([C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])c2ccc(C(F)(F)F)cc2)cc1 574009090 XVVWSGWEMRCIHP-KRWDZBQOSA-N 446.385 4.318 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC(c3noc4cc(F)ccc34)CC2)cc1C 574945272 YYWMUSSHXSZPDL-UHFFFAOYSA-N 433.461 4.060 5 20 IIBD COc1cc(C(C)=O)cc([N+](=O)[O-])c1OC[C@H](O)Cn1c2ccccc2c2ccccc21 577127606 LOOATCFUTSJYLR-QGZVFWFLSA-N 434.448 4.354 5 20 IIBD Cc1ccccc1[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCOC2)C1 581476639 DOAMRTWIXAILNC-AZUAARDMSA-N 433.512 4.192 5 20 IIBD O=C1NC2(CCCC2)C(=O)N1c1cccc(CNc2ccc([N+](=O)[O-])c3cccnc23)c1 582009027 NSSZOVCHSOONLT-UHFFFAOYSA-N 431.452 4.124 5 20 IIBD Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NCc3cccc(COCc4ccccc4)c3)cc21 587206780 KAUNJXCDLRSJCW-UHFFFAOYSA-N 432.480 4.114 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 588177010 MGGDZAWLZLGMST-DNVJHFABSA-N 436.556 4.079 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@@H]3c3ccc(O)cc3)n2C[C@H]2CCCCO2)c1 589678427 UUGJMOOUBMWGHZ-FGZHOGPDSA-N 449.511 4.470 5 20 IIBD O=C(NCCNc1ccccc1[N+](=O)[O-])NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 603748749 SHJSNXZMFCBXLH-QWRGUYRKSA-N 442.360 4.215 5 20 IIBD COc1cc(C(=O)Nc2cccc(C)c2C(=O)N2CCCC2)c([N+](=O)[O-])cc1OC(F)F 603756544 VGAZUHHOJIBLPJ-UHFFFAOYSA-N 449.410 4.002 5 20 IIBD COc1ccc(F)cc1[C@H](C)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] 603867182 ZHDTUEUXRZIKAF-AWEZNQCLSA-N 437.493 4.090 5 20 IIBD C[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])c1cccc(NC(=O)c2ccccc2)c1 603961462 SOMANYNZNNEDJT-QGZVFWFLSA-N 433.464 4.493 5 20 IIBD CC1CCN(c2ccc(C(=O)N(C)c3ccc(Br)cn3)cc2[N+](=O)[O-])CC1 603962961 TVAGBYUODOSHKG-UHFFFAOYSA-N 433.306 4.265 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(COCCOc2ccccc2)c1 603981257 OSNCWYVVLGFNGN-UHFFFAOYSA-N 442.493 4.300 5 20 IIBD COc1ccc(CNC(=O)c2ccc(C)c(NC(=O)c3ccccc3F)c2)cc1[N+](=O)[O-] 604018356 YCOHPNOFLKWYHX-UHFFFAOYSA-N 437.427 4.233 5 20 IIBD Cc1nccn1-c1ccccc1CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 604458341 SRXSQHQXNZCFGX-UHFFFAOYSA-N 433.512 4.255 5 20 IIBD COc1ccc(CC(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)cc1[N+](=O)[O-] 609107033 GWAMIZOCCFAYEG-UHFFFAOYSA-N 436.902 4.441 5 20 IIBD O=C(NCCCN1CCCCCC1=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609780999 JDVOGAQDJJUCTK-UHFFFAOYSA-N 426.473 4.301 5 20 IIBD C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1cccc(Cl)c1Cl 609796133 ODXXDVCYMMZGAE-GXFFZTMASA-N 442.324 4.445 5 20 IIBD COc1ccc(CSCC(=O)N[C@H](C)[C@@H](OC)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 609865940 RRZXVEOTNIKXCO-ZUOKHONESA-N 438.933 4.382 5 20 IIBD CNC(=O)Nc1cccc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c1 609873746 WBDMPJKDTZRXNA-UHFFFAOYSA-N 449.254 4.091 5 20 IIBD COc1cc(C(=O)N[C@H]2C[C@H]2c2c(F)cccc2Cl)c([N+](=O)[O-])cc1OC(F)F 610117738 VBXDIVGPGDIPGB-PELKAZGASA-N 430.766 4.283 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H](c1ccccc1)N1CCSCC1 610150663 FXVYOXCWVSVRON-LJQANCHMSA-N 440.550 4.447 5 20 IIBD CCOc1cc(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)c([N+](=O)[O-])cc1OC 610178771 WYAOWKLWZBTPHX-AWEZNQCLSA-N 433.892 4.054 5 20 IIBD COc1ccc(OCCSc2cc(C(=O)NC3CC3)c3ccccc3n2)c([N+](=O)[O-])c1 610217488 QDJWUIVGCBAHAP-UHFFFAOYSA-N 439.493 4.215 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(NC(=O)CN3CCCC[C@H]3C)ccc2F)c1 610224547 XRZZBBGKXAKCQI-OAHLLOKOSA-N 428.464 4.108 5 20 IIBD Cn1cnc([N+](=O)[O-])c1-c1noc(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)n1 618419065 VOLBPAHDRVASKC-UHFFFAOYSA-N 436.375 4.111 5 20 IIBD CCCC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccc(OC)cc1 728496050 LQDXDTVRKRYZMO-OXQOHEQNSA-N 443.475 4.143 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1nc(-c2ccccc2)cs1 730085827 OAZYBPXANRXSOD-HNNXBMFYSA-N 439.493 4.473 5 20 IIBD CC(C)N(Cc1cccs1)C(=O)c1ccc(I)c([N+](=O)[O-])c1 730470998 JMAZGDAWSHJBTE-UHFFFAOYSA-N 430.267 4.312 5 20 IIBD C[C@H](OC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1Br 731101477 CGAXKANPUVLJLD-JTQLQIEISA-N 441.665 4.045 5 20 IIBD CCc1nnc([C@H](C)OC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)o1 732319815 DFCKOHFKAHGRDE-HNNXBMFYSA-N 447.451 4.240 5 20 IIBD CSc1ccc(C(=O)O[C@H]2CCCN(C(=O)c3ccccc3Cl)C2)cc1[N+](=O)[O-] 732610814 WMWOJJRHEKZMDF-AWEZNQCLSA-N 434.901 4.432 5 20 IIBD C[C@@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])c1ccc(NC(=O)c2ccncc2)cc1 733762290 ULDMXNCZZYXBRV-GFCCVEGCSA-N 426.379 4.011 5 20 IIBD COc1ccnc(C(=O)O[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)c1 734914240 NOIDTWXEOQYBBL-LJQANCHMSA-N 441.827 4.189 5 20 IIBD C[C@H](OC(=O)[C@@H]1CSc2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 735737670 FYSITFUGDQGHOG-GXFFZTMASA-N 440.399 4.373 5 20 IIBD C[C@@H](OC(=O)c1cccc(Oc2nccs2)c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 736925549 UAYDFWGPIOITJT-LLVKDONJSA-N 431.401 4.167 5 20 IIBD C[C@H](OC(=O)c1coc(-c2ccccc2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 738842751 YBTHEZGIEAIGIR-NSHDSACASA-N 449.341 4.453 5 20 IIBD COc1ccc(C2=N/C(=C/c3cn(-c4ccc(Cl)cc4)nc3C)C(=O)O2)cc1[N+](=O)[O-] 743280793 JCJSECUBVCEAPF-RQZCQDPDSA-N 438.827 4.095 5 20 IIBD C[C@H](OC(=O)CCOc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1cccc2ccccc12 744731168 LRNVUQRBJCWEML-IRXDYDNUSA-N 436.464 4.326 5 20 IIBD COc1cc(C(=O)OCc2cccc(Cl)n2)c([N+](=O)[O-])cc1OCc1cscn1 744855777 AKIAXVBJMDCLSQ-UHFFFAOYSA-N 435.845 4.044 5 20 IIBD C[C@H](CC(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1C(F)(F)F 745217334 JJMXIHMGCIFSAH-LLVKDONJSA-N 428.338 4.428 5 20 IIBD C[C@@H](OC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C(=O)Nc1ccccc1-c1ccccc1 746608738 JUIDFOJJXCCWOK-OAHLLOKOSA-N 438.411 4.350 5 20 IIBD Cc1c(C(=O)OCC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748943251 FWFKUAMPMITALB-CYBMUJFWSA-N 449.847 4.150 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1SCc1cccc(OC(F)F)c1 749283733 OWQKIFXXSNBQKU-UHFFFAOYSA-N 425.381 4.485 5 20 IIBD CC(C)(C)OC(=O)N(CC1CC1)C1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 750832196 ADANQZUIWHNGII-UHFFFAOYSA-N 446.548 4.035 5 20 IIBD C[C@H]1CN(Cc2ccccc2NC(=O)c2cc([N+](=O)[O-])ccc2Br)C[C@H](C)O1 751091460 VPKHEXMOIFBLDW-KBPBESRZSA-N 448.317 4.219 5 20 IIBD O=C(OCc1coc(-c2c(F)cccc2F)n1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 751612783 TVXVFONFVALUGY-UHFFFAOYSA-N 443.406 4.488 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CCCCC[C@H]1C[C@@H](O)c1ccccc1 752108513 ARIUUDVUXVTAEO-SIKLNZKXSA-N 449.507 4.417 5 20 IIBD Cc1c(Br)cc(C(=O)N[C@H](C)c2cccc(N3CCOC3=O)c2)cc1[N+](=O)[O-] 753047827 UZHSXYVSFPANCD-GFCCVEGCSA-N 448.273 4.113 5 20 IIBD Cn1ccnc1[C@@H](NC[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 753586253 GPYSXSZZJGLNTL-WMZHIEFXSA-N 443.548 4.045 5 20 IIBD C[C@H]1C[C@H](OC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)C[C@@H](C)O1 756036685 IRLOFSUNNIDHTE-SCAQPMJSSA-N 426.469 4.005 5 20 IIBD O=[N+]([O-])c1cc2c(c(CN(Cc3ccccc3)C[C@H](O)c3cccs3)c1)OCOC2 756054847 HKDLRBZCEBMQOV-FQEVSTJZSA-N 426.494 4.259 5 20 IIBD COc1ccc(C(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1Cl 758531383 YQFUCZWACWMQDB-VIFPVBQESA-N 429.759 4.286 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@@H](c2c(C)nn(C)c2C)C(F)(F)F)cc1SC 760763591 VGWDLPMBTZQJJR-HNNXBMFYSA-N 433.408 4.136 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@@H]1COc1ccc(Cl)cc1 763751575 PJNOFYGWECYENJ-MRXNPFEDSA-N 426.860 4.118 5 20 IIBD Cc1cccc([C@@H](O)CN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])Cc2ccccc2)c1 767903306 CPJDRGRYZMZBEO-QHCPKHFHSA-N 433.508 4.386 5 20 IIBD O=[N+]([O-])c1ccc2nc(Sc3ccc(CN4CCC(O)CC4)cc3[N+](=O)[O-])sc2c1 768183069 KMVIKCMKXDZLJI-UHFFFAOYSA-N 446.510 4.221 5 20 IIBD C[C@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1c(F)cccc1-n1cccn1 768212314 ZHPDGRIFGIAYHX-INIZCTEOSA-N 438.459 4.440 5 20 IIBD CCn1c(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)nc2cc(Br)ccc21 768913100 RPDMAYDQCWWXOH-UHFFFAOYSA-N 425.189 4.257 5 20 IIBD COc1ccc(C)cc1-n1ccc(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)n1 770328629 XMDUAGCCKLJALG-UHFFFAOYSA-N 431.246 4.112 5 20 IIBD O=C(O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1cncc(-c2ccc3c(c2)CCO3)c1 770624091 VVWGRJCQFNRFQE-PZJWPPBQSA-N 434.452 4.129 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cnn(-c3cccc(Br)c3)c1)CC2 773988688 NZZQBKNBPWZYHJ-UHFFFAOYSA-N 427.258 4.054 5 20 IIBD Cc1nnc(COC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)n1C1CC1 774887962 IFHUFOJSWFEDND-UHFFFAOYSA-N 441.875 4.452 5 20 IIBD O=C(Cc1csc(-c2cccnc2)n1)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776218439 QSFXUYZHHIRPMZ-OAQYLSRUSA-N 432.461 4.384 5 20 IIBD CCc1ccc(C(=O)Nc2cnc3c(c2)C[C@H](NC(=O)OC(C)(C)C)CC3)cc1[N+](=O)[O-] 777009865 YKMTZYRBDXTLAW-QGZVFWFLSA-N 440.500 4.187 5 20 IIBD Cc1cc2c(N3CCC[C@@H]3C(=O)OCc3ccc([N+](=O)[O-])cc3Cl)ncnc2s1 778093512 BBPCASDSSWUFHJ-MRXNPFEDSA-N 432.889 4.274 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 778598721 VRMSEVYTQJBESV-QWRGUYRKSA-N 448.398 4.261 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)c1ccc(N)cc1I 778820701 XSHNNLQJFTXOLN-SNVBAGLBSA-N 426.210 4.008 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cc(F)ccc1OCC(F)(F)F 781584310 QGTDDNIYEUWIDS-UHFFFAOYSA-N 431.298 4.155 5 20 IIBD O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781730466 UCXWNGIFQKOPBW-SFTDATJTSA-N 436.855 4.042 5 20 IIBD COc1ccc(NC(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)cc1[N+](=O)[O-] 784776029 SOGVQVKODHXJIA-UHFFFAOYSA-N 444.241 4.096 5 20 IIBD COc1cc(C(=O)OCc2ccc(-n3nc(C)cc3C)cc2)c([N+](=O)[O-])cc1OC(F)F 786787888 UAVXEXAMBCSDKN-UHFFFAOYSA-N 447.394 4.364 5 20 IIBD Cc1cccc(OCCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c1C 787714751 AAWVCTCMZJOLTJ-UHFFFAOYSA-N 425.254 4.312 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c1F 790114200 VWBXOTRZNCGPFU-UHFFFAOYSA-N 438.440 4.173 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Oc1ccc(C(=O)Nc2cccnc2)cc1 790875195 CUWQXHLOQJOAKF-UHFFFAOYSA-N 429.791 4.183 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)cc([N+](=O)[O-])c1C 791689175 OYAGYGUMFCNUMR-KGLIPLIRSA-N 426.425 4.081 5 20 IIBD C[C@H]1C(=O)CC[C@@H]1CC(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 792871807 HMNKRUHEWDYDGV-CHWSQXEVSA-N 430.844 4.411 5 20 IIBD CSc1cccc(N(C)S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])c1 795317488 OYYNHIVYKNLPOG-UHFFFAOYSA-N 435.296 4.043 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1OC 798126183 VHKXWDKYFBPVQD-UHFFFAOYSA-N 449.463 4.184 5 20 IIBD O=C(NCC[S@](=O)Cc1ccccc1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 799339634 SAVKVEVAPKILDT-PMERELPUSA-N 440.546 4.425 5 20 IIBD CCCc1noc2nc(CC)cc(C(=O)OCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])c12 800325528 TUYOWGLIJOABFA-UHFFFAOYSA-N 446.847 4.095 5 20 IIBD COCCCONC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 805043267 GZCFMAAJPAZXJB-SSZFMOIBSA-N 427.482 4.220 5 20 IIBD O=[N+]([O-])c1ccc2oc(=S)n(CN3CCCC[C@H]3c3nnc([C@H]4CCCO4)o3)c2c1 808238306 CASOEXHBFXHIHV-XJKSGUPXSA-N 431.474 4.291 5 20 IIBD Cc1cnn([C@H]2CCN([C@@H](C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc3)C2)c1 810119515 CBJPFFQJFUFMRB-GHTZIAJQSA-N 439.903 4.380 5 20 IIBD Cn1nncc1COC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 811063539 LCLPUPGHJQIJCI-XNTDXEJSSA-N 435.465 4.007 5 20 IIBD O=C(NCc1ccccn1)c1cccc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 812917150 MOKGHEFKIHHLPO-UHFFFAOYSA-N 445.262 4.479 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)c1 817649830 DVIHOVOEZYGUHW-MSOLQXFVSA-N 431.533 4.403 5 20 IIBD O=C(CCOc1cccc([N+](=O)[O-])c1)O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 915446162 WQTCRNWOSKQDAL-QFIPXVFZSA-N 438.411 4.426 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)OCC(=O)c1ccc(Oc2ccccc2)cc1 915521097 HJMJQPAYCZTFTE-UHFFFAOYSA-N 431.404 4.163 5 20 IIBD O=C(COC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1)N[C@H](c1ccccc1)c1cccs1 917330019 OKZQGDFVRCNYOZ-OAQYLSRUSA-N 435.461 4.200 5 20 IIBD COc1cc(C(=O)NCc2nc(C3CC3)no2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 917764452 FSAYPCOOJPHNCY-UHFFFAOYSA-N 444.831 4.240 5 20 IIBD COCCOc1ccc(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1Cl 918747949 SYNFSTUGFIEPKD-NSHDSACASA-N 428.272 4.366 5 20 IIBD CC(C)Oc1cc(Br)ccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 919962484 DIUBCTWKYSNOHX-UHFFFAOYSA-N 448.317 4.107 5 20 IIBD O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2nc(-c3ccccc3)nc3ccccc23)CC1 1117704592 HYZXAACWLVNCSM-UHFFFAOYSA-N 439.475 4.167 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 1318708299 PMKDBMBQNXPBJD-LBPRGKRZSA-N 429.274 4.253 5 20 IIBD COc1cccc(N2CCC(NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)CC2)c1 1326470891 NLWRFJJZINWRBR-UHFFFAOYSA-N 426.517 4.192 5 20 IIBD C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1 1790560999 UMPBDHCBFDLCJH-MRXNPFEDSA-N 448.479 4.138 5 20 IIBD CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 1800137251 HRBUGWBREXZKDV-BJESRGMDSA-N 449.551 4.278 5 20 IIBD C[C@@H]1C[C@@]1(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830223982 NZQYUPKRODWVPO-BIFSNJIPSA-N 431.508 4.013 5 20 IIBD C[C@@H]1C[C@@]1(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830499350 ULVAMJZEMTXHLX-ZFUCPZCZSA-N 431.508 4.013 5 20 IIBD O=C(CC1CCCC1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 1830703119 NTHRCUZXYCXZFM-JOCHJYFZSA-N 443.544 4.114 5 20 IIBD Cc1cc(Cl)ccc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=C/c1ccccc1[N+](=O)[O-] 1847362862 FKJVMFLVPONTBN-LKKUEKHWSA-N 439.899 4.085 5 20 IIBD O=C(COC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccc(F)c([N+](=O)[O-])c1 12257370 JCCOGZWZDYDPKW-UHFFFAOYSA-N 447.806 4.157 5 20 IIBD Cc1cccc(N2CCN(C(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)CC2)c1C 14798820 WAKIPLZBSARTFU-UHFFFAOYSA-N 447.539 4.036 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2ccccc2OC(F)F)c1 16197207 UCVRHCOBNUBKKB-JTQLQIEISA-N 426.397 4.102 5 20 IIBD C[C@@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)Nc1cc(F)ccc1F 18591115 LHHLISSOWRXXEG-GFCCVEGCSA-N 425.460 4.484 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 19161143 VNUGNQOAFMYBST-UHFFFAOYSA-N 425.466 4.062 5 20 IIBD COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 21048756 OSAKMOZZQCMJSE-HUUCEWRRSA-N 440.500 4.296 5 20 IIBD CCCn1c(C)c(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c2cc(OC)ccc21 26977122 LMRUOPKMRWBMAJ-UHFFFAOYSA-N 443.431 4.211 5 20 IIBD CCOc1ccc(CN2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC2)cc1 27238646 QGFGONISXSITEO-UHFFFAOYSA-N 425.510 4.166 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2ccccc2C(C)(C)C)cc1OC 28174090 NQDFOKBDVVTZHQ-UHFFFAOYSA-N 430.457 4.095 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])Nc1ncc(Cc2ccc(Br)cc2)s1 28642434 QBBYVGFSKMATGI-UHFFFAOYSA-N 448.298 4.422 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 32442329 RLLPESIRAAYEPV-INIZCTEOSA-N 439.493 4.195 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1C 60497215 YTZPHVVOMLMLJB-UHFFFAOYSA-N 431.539 4.390 5 20 IIBD Cc1cccc(-c2cc(NC(=O)CCn3cc([N+](=O)[O-])nc3C)n(-c3ccccc3)n2)c1 61135663 UGPGCZDPJXCVAS-UHFFFAOYSA-N 430.468 4.290 5 20 IIBD COc1ccc(COc2cccc(F)c2)cc1NC(=O)COc1cccc([N+](=O)[O-])c1 63613279 CDWIOZYIEZUHIS-UHFFFAOYSA-N 426.400 4.339 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 65174692 VHJCOWWENIXNMY-GFCCVEGCSA-N 438.311 4.114 5 20 IIBD O=[N+]([O-])c1cccc(N2CCN(Cc3nnc(-c4ccc(Cl)cc4Cl)o3)CC2)c1 108975494 WZWCKBWVPOLAET-UHFFFAOYSA-N 434.283 4.274 5 20 IIBD Cc1sc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)nc1-c1cccc([N+](=O)[O-])c1 195704176 XIQKHCOPYMALPN-HNNXBMFYSA-N 426.429 4.230 5 20 IIBD Cc1cc(C(=O)NCC(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)ccc1[N+](=O)[O-] 217042483 VOSOQUFHZVJKMW-DEOSSOPVSA-N 443.459 4.285 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)NC1(Cc2ccc(Br)cc2)CCCCC1 303121586 MNSTYARKMJKHPO-UHFFFAOYSA-N 449.349 4.314 5 20 IIBD O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCC(c2nncn2C2CC2)CC1 409451797 GCNVELWUGUEQQL-UHFFFAOYSA-N 432.484 4.285 5 20 IIBD CN(C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCCN(c2ccccc2)C1 426272751 ZUSOJJGNIRPKFN-SFHVURJKSA-N 436.434 4.424 5 20 IIBD Cc1ccc([C@H](C)NC(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)cc1[N+](=O)[O-] 428904779 HAAMKWXMBAQVHE-HNNXBMFYSA-N 433.530 4.499 5 20 IIBD CCOc1cc(C(=O)NCc2csc(CCc3ccccc3)n2)c([N+](=O)[O-])cc1OC 434566948 VXQKNKXRLVFYTI-UHFFFAOYSA-N 441.509 4.174 5 20 IIBD CCCNC(=O)c1ccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1 436077578 VOXKBYPPXMYFOW-UHFFFAOYSA-N 435.430 4.352 5 20 IIBD O=C(c1ccc(=O)n(Cc2ccccc2Cl)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437097335 MVNALYWKPYLGBT-UHFFFAOYSA-N 437.883 4.263 5 20 IIBD CCN(C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](Cc1ccc(F)cc1)C(C)C 437116138 PSOYXQIWUOKHCD-SFHVURJKSA-N 447.532 4.041 5 20 IIBD Cc1cnn(-c2ccc(NC(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)cc2F)c1 438323806 DHMRYPCKTIFSOG-UHFFFAOYSA-N 439.447 4.303 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ccc(F)cc1OCCC(F)(F)F 443529323 LOKRZSRDZXIYOU-UHFFFAOYSA-N 436.383 4.050 5 20 IIBD COc1ccccc1O[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 443910231 URJKKWIEPQDRPM-KRWDZBQOSA-N 435.480 4.413 5 20 IIBD CC(C)(C)c1cc(NC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)n(Cc2ccccc2)n1 444839116 SOYASHUYXWZLDU-UHFFFAOYSA-N 447.499 4.335 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)NC1(c2ccc(Br)cc2)CCC1 445014079 NQEOCOVNMHWPOC-UHFFFAOYSA-N 444.289 4.112 5 20 IIBD CC(C)[C@@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 445247921 INRBWYVPPYYZNP-OAHLLOKOSA-N 441.303 4.317 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccc(Br)cc1N1CCOCC1)CCC2 447587987 SCIGLZXECFXCRI-HXUWFJFHSA-N 446.345 4.361 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCC(O)(Cc2ccc(F)cc2)CC1 447679404 DAFQXFAKZCKFBI-UHFFFAOYSA-N 449.351 4.357 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[C@H]2[C@H](CCCN2C2CC2)C1 448075285 UXNFUJVHGZWVTC-ACJLOTCBSA-N 431.334 4.359 5 20 IIBD O=C(C[C@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccc(F)cc1 448441668 ZUMRSPMDLFBUTD-MRXNPFEDSA-N 449.276 4.303 5 20 IIBD Cc1cc(C(=O)N2CCN([C@H](C)c3ccc(Br)cc3)CC2)cc([N+](=O)[O-])c1 460578840 VQNYKTSCHPLYGK-OAHLLOKOSA-N 432.318 4.185 5 20 IIBD Cc1cccc(C)c1NC(=O)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)C 460925772 SJUQRNZSVZFMIZ-UHFFFAOYSA-N 436.516 4.201 5 20 IIBD Cc1cc(CCNC(=O)c2ccc([N+](=O)[O-])cc2I)ccc1Cl 462446383 QCYJJBIXKDQBSH-UHFFFAOYSA-N 444.656 4.134 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2CCOC3(CCCCC3)C2)c([N+](=O)[O-])c1 462913473 ZYXNMRUMEYCPEX-UHFFFAOYSA-N 438.480 4.152 5 20 IIBD CCOc1ccc([C@H](NC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c2ccccc2)cc1 464011848 KWZLQOVJPXZSGK-HSZRJFAPSA-N 447.491 4.455 5 20 IIBD Cc1ccc2c(C3=CCN(C(=O)C(=O)Nc4c(C)ccc([N+](=O)[O-])c4C)CC3)c[nH]c2c1 464034773 VHMZOEYIDXMEHE-UHFFFAOYSA-N 432.480 4.256 5 20 IIBD COc1cc(C(=O)N2CCC(c3cccc(Br)c3)CC2)cc([N+](=O)[O-])c1OC 466797196 VMTYNPPFOPJHQO-UHFFFAOYSA-N 449.301 4.394 5 20 IIBD C[C@@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(Br)s1 468169929 QXHSMEWGRCKOOU-SNVBAGLBSA-N 435.303 4.310 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 468570393 DIOKOLZBQJBIQU-OAHLLOKOSA-N 434.290 4.083 5 20 IIBD COc1cc([C@@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C(F)(F)F)cc(OC)c1OC 470130961 FBSWBLMGQARNPB-MRXNPFEDSA-N 447.341 4.185 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC(C)(c2ccc(Cl)cc2)CC1 473316619 QUDBLQIXFIEXHT-KRWDZBQOSA-N 433.940 4.061 5 20 IIBD CC(C)Oc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c(Cl)c1 474403009 MWGFLLHYORULSW-OAHLLOKOSA-N 437.905 4.340 5 20 IIBD COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)cc1 475304229 QPSYDWLHPIUGEB-UHFFFAOYSA-N 429.436 4.412 5 20 IIBD Cc1cc(Sc2ncccn2)ccc1NS(=O)(=O)c1c([N+](=O)[O-])ccc(C)c1C 481603349 BHEYQKZHFIQGDU-UHFFFAOYSA-N 430.511 4.262 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2)cc1SC 482068267 OMWQPGJIJJBTOD-INIZCTEOSA-N 432.498 4.138 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)Cc1ccc(Br)cc1Cl 484577304 RBEKRTKRSLDZDX-UHFFFAOYSA-N 442.697 4.090 5 20 IIBD CCc1c(NC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)cnn1-c1ccc(Cl)cc1 485340171 UJCRWTVGCCXVOT-UHFFFAOYSA-N 429.864 4.327 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 485399120 FHSYPJFLCVWCHI-UHFFFAOYSA-N 445.541 4.207 5 20 IIBD O=C(CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1Sc1ccccc1 485416091 RPFYHLPOZVAZOR-UHFFFAOYSA-N 428.491 4.158 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc1[N+](=O)[O-] 487817015 KVIBNXOUFJKWQI-RYUDHWBXSA-N 427.427 4.400 5 20 IIBD CCC(C)(C)OCc1cccc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c1C 488791047 DCSCNKBYXFVNEX-UHFFFAOYSA-N 427.501 4.367 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccc4nnc(C5CCC5)n4c3)cc2)c(C)c1[N+](=O)[O-] 493938045 VROBLKMSDFXAMP-UHFFFAOYSA-N 445.483 4.019 5 20 IIBD Cn1c(CCNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)nc2c(F)cccc21 495116328 OJDVEWRSOLXQBA-UHFFFAOYSA-N 447.470 4.205 5 20 IIBD CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)c1ccc(SC)c([N+](=O)[O-])c1)C1CC1 498110926 FSDVNMHQQHIVIW-LJQANCHMSA-N 428.510 4.096 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(F)cc2OC(C)(C)C)cc1[N+](=O)[O-] 498844386 GQOHUXZANWONEO-UHFFFAOYSA-N 445.476 4.443 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ccc(SCc2cccnc2)cc1 499147790 CBMGQEJSADYHNC-UHFFFAOYSA-N 429.523 4.267 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCN(C(=O)CCCc3ccccc3)CC2)cc1[N+](=O)[O-] 499484282 IGJDNUQFWAALPJ-UHFFFAOYSA-N 437.540 4.200 5 20 IIBD CSc1cccc(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)c1[N+](=O)[O-] 501662440 MBETWPMXULWUIU-GFCCVEGCSA-N 427.251 4.082 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)NCc1cnc(-c2ccc(Cl)cc2)s1 503533749 UKOMXEFWBMQRGL-UHFFFAOYSA-N 442.888 4.247 5 20 IIBD CCOc1ccc([C@@H](C)NCC2(c3ccc4c(c3)OCO4)CCOCC2)cc1[N+](=O)[O-] 504927192 NQFBIXMWGDYFFY-MRXNPFEDSA-N 428.485 4.121 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCOc2c(-c3ccccc3)cccc21 505091398 VZYYZECKBHJGTG-AOMKIAJQSA-N 445.475 4.020 5 20 IIBD O=C(NCc1ccc(COC2CCOCC2)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 506049371 MPXJMMIFHUGEBB-UHFFFAOYSA-N 439.512 4.165 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCCOc2cncc(Cl)c2)cc1[N+](=O)[O-])c1ccccn1 508805133 CTJKGHGDWSUZGP-AWEZNQCLSA-N 441.875 4.020 5 20 IIBD CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)C1 508950911 RSOAAKHIKXETSA-CJNGLKHVSA-N 430.530 4.250 5 20 IIBD CC1CCN(c2ccc(C(=O)NC[C@H]3CCN(c4ccc(F)cc4)C3)cc2[N+](=O)[O-])CC1 516250608 FWMBHXWRZGCSNI-GOSISDBHSA-N 440.519 4.227 5 20 IIBD O=C(Nc1nc2cc3c(cc2s1)OC(F)(F)O3)c1cc(O)nc2ccc([N+](=O)[O-])cc12 518986703 AERUJANZXOHNKV-UHFFFAOYSA-N 446.347 4.032 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)Nc1ccc2ncsc2c1)c1ccccc1[N+](=O)[O-] 520050027 DKOKEGCMJXYLJP-INIZCTEOSA-N 428.470 4.409 5 20 IIBD CNS(=O)(=O)c1ccc(S[C@@H](C)c2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])c1 520381560 WPZFWUAXVOSBJZ-JTQLQIEISA-N 436.433 4.255 5 20 IIBD CCC(CC)(NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1 520431791 OMYNQKIAEGEDBW-UHFFFAOYSA-N 435.933 4.271 5 20 IIBD C[C@@H]1CN(C(C)(C)CNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C[C@@H](C)O1 520881346 LGUZHWBMOJGLFJ-IAGOWNOFSA-N 442.516 4.396 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ncc(Cc2ccccc2F)s1 523458462 GEBSXCOKOABXOC-UHFFFAOYSA-N 427.866 4.235 5 20 IIBD O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CC[C@@H](N2CCCC2)C1 524040873 YSQLXNNGFGGSBS-GOSISDBHSA-N 428.920 4.171 5 20 IIBD Cc1c(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cccc1OCC(F)(F)F 524370834 DHRXHTYJQTZGFA-UHFFFAOYSA-N 438.406 4.198 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(C)nc3ccc(Br)cc23)cc([N+](=O)[O-])c1 524569579 NQHPKVVRIIGATA-UHFFFAOYSA-N 444.241 4.253 5 20 IIBD CC[C@@H](C)[C@@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccc(Cl)cc1 524741435 CXSMDKJLNUXUFW-FOIQADDNSA-N 431.924 4.262 5 20 IIBD O=C(NCc1ccccc1)c1ccccc1OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 525190689 RCHUDUFDIHOJLO-UHFFFAOYSA-N 430.420 4.154 5 20 IIBD O=C(Nc1c(F)cc(F)cc1-c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 531137851 GVUQVRRRFPRTNL-UHFFFAOYSA-N 439.422 4.289 5 20 IIBD COc1cc(OC)cc(N2CC[C@@H](NCc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)c1 531359895 KMVFBVJJGLGODI-MRXNPFEDSA-N 440.525 4.104 5 20 IIBD COc1ccc(C[C@@H](C)CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 534132122 SBHFTYXGTRPHCW-CYBMUJFWSA-N 446.447 4.122 5 20 IIBD COc1ccc(-c2nc(C[S@@](=O)Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)co2)cc1 534795922 UZECBSHSPYFPCV-HKBQPEDESA-N 439.449 4.362 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CS(=O)(=O)Cc3cc(-c4cccs4)on3)co2)cc1 534795995 WFJHSFISVINCDU-UHFFFAOYSA-N 431.451 4.081 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N[C@@H]2CN(C)Cc3ccccc32)cc1[N+](=O)[O-])c1ccccn1 536033974 BTQOPPYIYDZUMN-OPAMFIHVSA-N 431.496 4.079 5 20 IIBD COc1ccc(-n2ccc(CNC(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)n2)cc1 538238500 XPRYXUDQONUUFB-UHFFFAOYSA-N 426.498 4.220 5 20 IIBD COc1ccc(C[C@H](NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])c2ccccc2)cc1OC 539261510 RQJWJYRXQCHSTI-FQEVSTJZSA-N 449.507 4.433 5 20 IIBD CC(C)(NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccccc1Br 540422965 FWGNVDCBZJRNIC-UHFFFAOYSA-N 434.290 4.180 5 20 IIBD O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1 541282960 RAZANOISTBHPRP-PXNSSMCTSA-N 442.903 4.215 5 20 IIBD O=C(NCCn1c2ccccc2c2ccccc21)c1cc(O)nc2ccc([N+](=O)[O-])cc12 541497268 FLRKWISEKVJZSK-UHFFFAOYSA-N 426.432 4.387 5 20 IIBD CCc1ccc([C@H](NCc2ccc(N3CCO[C@@H](C)C3)nc2)c2ccc([N+](=O)[O-])cc2)o1 541545705 JSDIFJVUXNJACD-BXKMTCNYSA-N 436.512 4.250 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)ccc1-n1cnnn1 542514770 NLXIBPSRGVNKEE-UHFFFAOYSA-N 438.513 4.414 5 20 IIBD CCCOc1cc(NC(=O)c2ccccc2-n2ccnn2)c([N+](=O)[O-])cc1OCCC 543121960 WYUZPQBFFDOKFP-UHFFFAOYSA-N 425.445 4.005 5 20 IIBD Cc1ccc(CNC(=O)c2cccc(CNC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)c2)cc1 543468149 OOHDIAPSBMUXEL-KRWDZBQOSA-N 449.482 4.392 5 20 IIBD COc1ccc(NC(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)cc1[N+](=O)[O-] 543889967 YIKCCRQCCUWAIX-UHFFFAOYSA-N 437.374 4.148 5 20 IIBD C[C@@H](C(=O)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2)c1ccc([N+](=O)[O-])cc1F 544554169 XDDGHXJHJDVWQE-BVGQSLNGSA-N 448.441 4.243 5 20 IIBD CC(=O)Nc1ccccc1-c1noc(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 544922041 GFPLNEMYJQGWMQ-UHFFFAOYSA-N 435.362 4.277 5 20 IIBD O=[N+]([O-])c1ccccc1Cc1noc(C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)n1 546238747 NZYCMKJQTKAKCO-UHFFFAOYSA-N 447.900 4.465 5 20 IIBD COc1cc(Br)c(Cc2noc(-c3cc([N+](=O)[O-])ccc3C)n2)cc1OC 546955307 DRFVEFJZPLNYJA-UHFFFAOYSA-N 434.246 4.324 5 20 IIBD C[C@H](NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc(OCC(=O)NC2CC2)cc1 549536791 XTQLMJXYCSFMBP-ZDUSSCGKSA-N 437.418 4.122 5 20 IIBD Cc1ccc(-c2nnc(N(C)Cc3ccccc3[N+](=O)[O-])n2C[C@H]2CCCCO2)s1 550048011 KRZNORYAMZRNKU-QGZVFWFLSA-N 427.530 4.429 5 20 IIBD O=C(NCCCc1nc(-c2ccncc2)cs1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 550156866 OQGAJQMLULNMKP-UHFFFAOYSA-N 436.415 4.495 5 20 IIBD NC(=O)c1ccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1N1CCCCC1 551447923 CUVJRIPJAPYBMB-UHFFFAOYSA-N 437.525 4.420 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)nn1-c1ccc(F)cc1F 552272004 BIHWPQQENXEWIU-UHFFFAOYSA-N 426.301 4.638 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](c2cncc(Br)c2)C2CC2)c1 552415993 KTMUMYITBBJWJO-IBGZPJMESA-N 434.290 4.097 5 20 IIBD C[C@H](CN[C@@H](c1cccc([N+](=O)[O-])c1)c1nccn1C)Oc1ccc(Br)cc1 556870723 IKWAUJCHTPIVJQ-KUHUBIRLSA-N 445.317 4.237 5 20 IIBD Cn1cnnc1Sc1ccc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc1Cl 559371473 LLVGXPXOHKLAPK-UHFFFAOYSA-N 431.905 4.444 5 20 IIBD COc1ccc2cccc(Cc3noc(-c4cccc([N+](=O)[O-])c4N4CCOCC4)n3)c2c1 573078050 DUOHVVBDYVHWIA-UHFFFAOYSA-N 446.463 4.234 5 20 IIBD COc1cc(C(=O)Nc2cc(C3CC3)n(C)n2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 579062395 OIOYZJLQAYCZJP-UHFFFAOYSA-N 442.859 4.912 5 20 IIBD COc1cc(C(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)cc([N+](=O)[O-])c1OC 588181814 HNXZRNKJEHRHHL-UHFFFAOYSA-N 427.432 4.252 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 603572668 BAJDRUQQUMTLNL-GDNZZTSVSA-N 427.345 4.423 5 20 IIBD CCCNC(=O)c1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c1 603774817 XCCQDHYBTIXYFZ-UHFFFAOYSA-N 446.507 4.277 5 20 IIBD COc1cc(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)ccc1OCCC(C)C 603900956 MZRZGCAYUGPCDG-UHFFFAOYSA-N 438.484 4.144 5 20 IIBD COc1cc([C@@H](C)Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)cc(OC)c1OC 603943942 QKARSECQUUREKY-CQSZACIVSA-N 429.473 4.030 5 20 IIBD Cc1ccc(C)c(Oc2ccc(CNS(=O)(=O)c3c(C)cccc3[N+](=O)[O-])cn2)c1 604033617 GWJURJANIULFJZ-UHFFFAOYSA-N 427.482 4.186 5 20 IIBD COc1ccc(CC(=O)Nc2nc(-c3ccc(NC(C)=O)cc3F)cs2)cc1[N+](=O)[O-] 609010013 OQHCJTKUHWAXBO-UHFFFAOYSA-N 444.444 4.006 5 20 IIBD CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 609410961 XXBICNUXVHSANJ-ZDUSSCGKSA-N 425.268 4.424 5 20 IIBD O=C(NCC1(c2ccccc2)CCCCC1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 609499533 KRJZXZQLFYCGTO-SFHVURJKSA-N 441.553 4.279 5 20 IIBD COc1cc(CCNC(=O)c2cccc(-c3nc(C)cs3)c2)c([N+](=O)[O-])cc1OC 610059610 UOXOQULOVSPSEH-UHFFFAOYSA-N 427.482 4.016 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 610103652 QVALWVARKVUYKW-UHFFFAOYSA-N 443.809 4.345 5 20 IIBD O=C(c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)N(CCCO)C1CC1 611216815 YHTNBNHMILUWBT-UHFFFAOYSA-N 429.523 4.343 5 20 IIBD COc1cc(OC)c(C2CCN(Cc3cc(OC)c(OC)cc3[N+](=O)[O-])CC2)c(OC)c1 611253738 QKTCWTYNCCCYCO-UHFFFAOYSA-N 446.500 4.017 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CCCN(Cc2ccccc2)C1 612282304 HBIZLLPUNQJIOE-QGZVFWFLSA-N 433.961 4.369 5 20 IIBD C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F 725820237 CMDPMQRRWMEFME-SECBINFHSA-N 430.820 4.033 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 726289852 GBRXPCDXEDGRSF-AWEZNQCLSA-N 430.892 4.054 5 20 IIBD Cc1oc(-c2ccsc2)nc1CC(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 727021604 AMARGZMNOKVAFY-CYBMUJFWSA-N 429.454 4.041 5 20 IIBD O=[N+]([O-])c1ccc(-c2ncn(CN3CCO[C@@H](c4ccc(Cl)c(Cl)c4)C3)n2)cc1 727427464 CMXKOCRYQIFTBC-GOSISDBHSA-N 434.283 4.191 5 20 IIBD C[C@H](OC(=O)c1cc(N)ccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 728333401 WSDLGJDWQUWAOX-QMMMGPOBSA-N 431.754 4.033 5 20 IIBD CC(C)(C)c1cc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n(C(C)(C)C)n1 729634314 SZSDTEREEPOPEP-UHFFFAOYSA-N 428.537 4.198 5 20 IIBD O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 735822038 MMLBCFBYNHPVFO-BVUGVZOXSA-N 440.809 4.388 5 20 IIBD C[C@H](OC(=O)[C@H]1CCCN(Cc2ccccc2)C1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 735938664 MZRIIFAFFFULHT-RDJZCZTQSA-N 445.903 4.031 5 20 IIBD CC(C)CC(=O)Nc1ccc(C(=O)COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 740392055 RFHMMCNQOUHFOH-UHFFFAOYSA-N 426.469 4.283 5 20 IIBD Cc1csc(-c2cccc(C(=O)OCC3CCN(c4ccc([N+](=O)[O-])cn4)CC3)c2)n1 740543322 NXWNGGBXKJHRMY-UHFFFAOYSA-N 438.509 4.495 5 20 IIBD Cc1cc(=O)oc2cc(OS(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])ccc12 742266425 OJLJDZDAOXXMCH-UHFFFAOYSA-N 430.221 4.084 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 743343856 YSHFYNDGVZROAD-UHFFFAOYSA-N 427.438 4.207 5 20 IIBD C[C@H](OC(=O)Cc1cc(F)ccc1F)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 745545325 KGBFVORCFGHUGJ-NSHDSACASA-N 447.419 4.109 5 20 IIBD Cc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(I)c1 745975874 CDBYPVIRKOCCPQ-UHFFFAOYSA-N 446.628 4.179 5 20 IIBD Cc1c(CC(=O)N2CCC([C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)cccc1[N+](=O)[O-] 747826720 LHIXRTKVYBZYSU-FQEVSTJZSA-N 431.533 4.084 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccccc1NC(=O)OC(C)(C)C 748333802 NDGQDWMQZGNXQT-UHFFFAOYSA-N 429.429 4.046 5 20 IIBD CC(C)[C@@H](OC(=O)c1cccc(Cl)c1[N+](=O)[O-])C(=O)N[C@H]1CCOc2ccccc21 750536165 PFNJRDVSADQCAC-QFBILLFUSA-N 432.860 4.070 5 20 IIBD CC(C)[C@H](C(=O)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccc(Cl)c1 750693260 HQUPJWTVAIGFGI-HNNXBMFYSA-N 431.297 4.146 5 20 IIBD C[C@H](Oc1ccc(F)cc1Br)C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1 751648655 ZPDMRVYQJCCMSU-VIFPVBQESA-N 439.193 4.148 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)cc1[N+](=O)[O-] 752246126 DBDZPKCFNOBUSD-JXFKEZNVSA-N 438.933 4.345 5 20 IIBD CC(C)(C)OCc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cc1 752473043 PMTQNPAYJVADGA-HNNXBMFYSA-N 429.448 4.041 5 20 IIBD CC(C)C(=O)Nc1ccc(OC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1 755022654 XEFWZBDBMMAGKV-UHFFFAOYSA-N 425.210 4.310 5 20 IIBD C[C@H](OC(=O)Cc1ccccc1NC(=O)OC(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 756463551 CESMNKWEOJPXPG-AWEZNQCLSA-N 443.456 4.055 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 761451237 JZIPGOMNNACYNK-GOSISDBHSA-N 445.262 4.141 5 20 IIBD O=[N+]([O-])c1ccc(CCc2nc(CCc3ccccc3Br)no2)c([N+](=O)[O-])c1 762183865 SSJLJUPVHBXJDD-UHFFFAOYSA-N 447.245 4.219 5 20 IIBD C[C@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1cccc2ncccc12 762995564 AYJHKHJRPPKWKS-ZDUSSCGKSA-N 425.416 4.130 5 20 IIBD C[C@@H]1[C@H](C(F)(F)F)OC(=O)N1c1ncccc1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] 764301079 PGQIXZBOQOUYBD-AMIZOPFISA-N 444.753 4.172 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC(=O)Nc1ncc(Cl)cc1Cl 765527099 QRWVMOYXYUPHJQ-LBPRGKRZSA-N 426.256 4.047 5 20 IIBD CCCC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 766230205 FGIZJCXQQVHZJM-AWEZNQCLSA-N 435.436 4.310 5 20 IIBD C[C@H](C(=O)O[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(Br)cc1 767002991 ZOWYVWFALAYDHA-WDEREUQCSA-N 439.237 4.170 5 20 IIBD COC(=O)c1oc([C@H](C)OC(=O)c2cc([N+](=O)[O-])c(Br)cc2F)cc1C 767364095 CJYGWKXYSMWANH-QMMMGPOBSA-N 430.182 4.102 5 20 IIBD COc1ccccc1[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)c1ccco1 769444369 BRQOVIZSOBKXMN-LJQANCHMSA-N 436.873 4.226 5 20 IIBD Cc1nn(C)c(C)c1[C@H](OC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(F)(F)F 770607722 QBLSDDLAVXMHDD-ZDUSSCGKSA-N 436.184 4.168 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(F)(F)F 771785199 UWNOIYDISGUFPH-SFHVURJKSA-N 433.390 4.013 5 20 IIBD CC(C)c1ccc(OC2CCN(C(=O)c3cc([N+](=O)[O-])c4nsnc4c3)CC2)cc1 778236668 ZKHMLLFQZQCNLA-UHFFFAOYSA-N 426.498 4.407 5 20 IIBD CCOc1cc(N2CCOC(C)(C)C2)ccc1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 780161996 URSJVOYAXBOKAB-MRXNPFEDSA-N 442.516 4.048 5 20 IIBD C[C@](O)(CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccccc1Cl 781026494 WMZNNTBMUQUKHO-QHCPKHFHSA-N 442.849 4.250 5 20 IIBD CC(C)[C@H](OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)N1C[C@H](C)C[C@@H](C)C1 781260145 NSQCZBCQJPCXIA-OJLQRUNKSA-N 434.536 4.367 5 20 IIBD CSc1cccc(NC(=O)[C@@H](C)OC(=O)c2cccc([N+](=O)[O-])c2Br)c1 781676763 XYWXAVQDYHVMSD-SNVBAGLBSA-N 439.287 4.263 5 20 IIBD CCN(CC)C(=O)C1=C(C)N(c2cccc(F)c2)C(=S)N[C@@H]1c1ccc([N+](=O)[O-])s1 782250430 WJDBRWPFUZWYSY-GOSISDBHSA-N 448.545 4.374 5 20 IIBD COC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)OC(=O)c1ccc([N+](=O)[O-])cc1Cl 783097845 ZPYGWZGOVCBNQO-OAHLLOKOSA-N 431.750 4.208 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])OCc1nc(-c2ccc(Cl)cc2)no1 790746371 RJUAFPXQVRZOHS-UHFFFAOYSA-N 426.187 4.377 5 20 IIBD Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OC[C@@H]2CC3(CCC3)C(=O)O2)n1 791276288 UVVCDGDTQXAMFR-ZDUSSCGKSA-N 434.495 4.154 5 20 IIBD O=C(CCCOc1ccccc1Br)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 791731179 DOZKXJIMSGNTRS-UHFFFAOYSA-N 439.218 4.168 5 20 IIBD CC(C)(C)OC(=O)CCc1cccc(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c1 791887124 BENGBTRTGLIEHC-HXUWFJFHSA-N 439.468 4.001 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(N2CCC[C@@H](c3nc4ccccc4s3)C2)c1[N+](=O)[O-] 796451432 WEISECYUQGGYBU-CYBMUJFWSA-N 428.470 4.297 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)OCc3cncn3CC(F)(F)F)cc2[N+](=O)[O-])C1 797120669 DOPIQNOMDGFUJQ-ZIAGYGMSSA-N 440.422 4.193 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c1 798327595 LFXZUSRGHUZCNL-JOCHJYFZSA-N 432.904 4.298 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 800625375 OQBKENPDTCMTNJ-ZDUSSCGKSA-N 439.365 4.016 5 20 IIBD CCN(C(=O)C(=O)Nc1c(F)ccc([N+](=O)[O-])c1C)[C@H](Cc1ccc(F)cc1)C(C)C 800631654 GZNAWZUCAKSEOD-LJQANCHMSA-N 433.455 4.236 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 801559993 GPCDVJIVTKDTOV-HSZRJFAPSA-N 447.491 4.263 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H](O)c1ccc(C(F)(F)F)cc1 807792811 YMMYYXXOJLLCCC-HNNXBMFYSA-N 447.207 4.148 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)CC(C)(C)O2 811810719 YNWZFZSOUFWNHL-MRXNPFEDSA-N 430.461 4.302 5 20 IIBD C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[C@@H](c2cccc(C(F)(F)F)c2)O1 816996274 LGKBTRNFTPCISO-DJJJIMSYSA-N 437.418 4.282 5 20 IIBD Cc1sc(-c2ccco2)nc1C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 913309378 GRDTUSNHRQSRDP-SECBINFHSA-N 435.845 4.457 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 915138994 CKXXCMHTMJZPGL-UHFFFAOYSA-N 430.511 4.092 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1nn(-c2ccccc2F)c2c1CCC2 915289669 SREWIBJFTUESCX-UHFFFAOYSA-N 428.851 4.334 5 20 IIBD C[C@@H](OC(=O)CCOc1cccc([N+](=O)[O-])c1)C(=O)N(c1nccs1)C1CCCCC1 915447647 CRWDMTJCFPUEEU-OAHLLOKOSA-N 447.513 4.118 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(Cc1ccc2ccccc2c1)C1CC1 915662923 GNTLLMGCNSIWSU-UHFFFAOYSA-N 434.448 4.139 5 20 IIBD COc1ccc(C(=O)c2ccccc2)c(OC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1 916877971 JJLYXGQZULWTSC-UHFFFAOYSA-N 443.415 4.239 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])NC(=O)OC(C)(C)C 917730991 GVUSAXGEZHOOSV-MRXNPFEDSA-N 449.891 4.253 5 20 IIBD Cc1c(C(=O)Nc2ccc(CC(=O)N(C)c3ccccc3)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 917780742 HTHYYTYKKWSTHX-UHFFFAOYSA-N 448.435 4.269 5 20 IIBD C[C@@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 917875394 WKWLUVIKZFUBQC-NSHDSACASA-N 439.287 4.485 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)C(=O)NCCc1ccccc1 919192743 LIKCDZIJHVCAHP-QGZVFWFLSA-N 434.448 4.291 5 20 IIBD CC(C)[C@@H](OC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)c1ccccc1 920779415 WURSATOQZIANIN-AUUYWEPGSA-N 434.876 4.246 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CC[C@@H]4CCCC[C@@H]4C3)n2C[C@@H]2CCCCO2)c1 1116960573 WTIDPNUJISULNQ-DSKINZAPSA-N 425.533 4.439 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1 1117184891 NMMBNIABLNEPQY-UHFFFAOYSA-N 448.888 4.140 5 20 IIBD O=[N+]([O-])c1cc(Cl)c2ncnc(N3CCc4c(ncn4CCc4ccccc4)C3)c2c1 1117549391 YYFMUFCDUVARMY-UHFFFAOYSA-N 434.887 4.193 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2OCCC[C@@H]2C1 1319354355 GQRLQSIVHXSRJB-AUSIDOKSSA-N 446.507 4.018 5 20 IIBD Cc1cc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)nc(C)c1Br 1319979539 XBRJURCJOCZQNS-UHFFFAOYSA-N 433.306 4.224 5 20 IIBD COc1cc(CN2CCCN(Cc3ccc(C)cc3)CC2)c([N+](=O)[O-])cc1OC(F)F 1321751040 FGNDCAAONSGRMF-UHFFFAOYSA-N 435.471 4.221 5 20 IIBD O=C(COc1ccccc1-c1nnc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccccc1F 1322271649 NCEIAKBNOIWUEI-UHFFFAOYSA-N 434.383 4.468 5 20 IIBD C[C@@H]1CCc2sc(-c3nnc(-c4cc([N+](=O)[O-])ccc4N4CCOCC4)o3)cc2C1 1345802514 YVWKQMNBCAAYFP-CYBMUJFWSA-N 426.498 4.335 5 20 IIBD C/C=C(\C)C(=O)Nc1ccc(C2(NC(=O)c3cc(N(C)C)ccc3[N+](=O)[O-])CCC2)cc1 1791220267 CPDNUUVOIQRWKQ-FZSIALSZSA-N 436.512 4.375 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(C)CCC2)n[nH]1 1814403466 LDMMHJLHQUQSKK-KRWDZBQOSA-N 443.479 4.262 5 20 IIBD CCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc([N+](=O)[O-])c(O)cc2C)CC1 1831389216 LMMNWDUMAYYHBY-IBGZPJMESA-N 445.560 4.278 5 20 IIBD C[C@H](OC(=O)c1ccc(COc2ccccc2)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 9480592 HCNRICGJLGZXLF-HNNXBMFYSA-N 438.411 4.497 5 20 IIBD Cc1nc(-c2ccc(CCNC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)s2)cs1 12396724 WJHJMNAKOTUBMT-UHFFFAOYSA-N 432.483 4.277 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)C2(c3ccccc3F)CCCC2)c([N+](=O)[O-])c1 18527114 MHOXVEGRHMODLZ-AWEZNQCLSA-N 430.432 4.125 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)cc1OC 18969451 SUZYBQBZZHRKCR-HDDXYUSQSA-N 431.485 4.333 5 20 IIBD CSc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 22184082 WIPOQPGNFPOLRU-JTQLQIEISA-N 439.287 4.263 5 20 IIBD O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 28828025 QTTJTOBGAWMOEC-UHFFFAOYSA-N 443.916 4.496 5 20 IIBD COc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Br 30510743 CHRUFRLVQNYISN-CHWSQXEVSA-N 436.306 4.352 5 20 IIBD O=C(CN(Cc1ccccc1F)C(=O)c1ccc([N+](=O)[O-])cc1F)Nc1ccccc1F 58494866 QLNHXXJTUKOQKD-UHFFFAOYSA-N 443.381 4.293 5 20 IIBD Cc1ccccc1[C@@H](OC[C@@H](O)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 59374308 FAWMYPFDUKOENQ-UPVQGACJSA-N 444.491 4.329 5 20 IIBD CC(C)N(C)S(=O)(=O)c1ccc(CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 63248768 FPIWCPQJPXOWQR-UHFFFAOYSA-N 431.436 4.255 5 20 IIBD CCOc1cc(C(=O)N[C@@H](C)Cc2ccc(Br)cc2)c([N+](=O)[O-])cc1OC 107600085 ILVSDXLXPHZOQE-LBPRGKRZSA-N 437.290 4.126 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(CNc3ccc([N+](=O)[O-])cc3Br)cc2)C[C@@H](C)O1 301387519 XXEOUOSCDMJKFH-OKILXGFUSA-N 448.317 4.219 5 20 IIBD Cn1c(Sc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)nc2sccc2c1=O 302190218 YELWWLNOCNOTRF-UHFFFAOYSA-N 426.479 4.028 5 20 IIBD CS(=O)(=O)c1ccc(N2CCC(c3ccccc3Br)CC2)c([N+](=O)[O-])c1 302564968 OFNTYYFODIQOCV-UHFFFAOYSA-N 439.331 4.145 5 20 IIBD O=C(O)[C@@H](Cc1ccccc1)NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 426690849 CXSYEWVGITVJOG-HSZRJFAPSA-N 442.475 4.233 5 20 IIBD CCOc1nc(C(F)(F)F)ccc1C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 428637493 DNCXJAKIVYAJEK-KRWDZBQOSA-N 427.404 4.295 5 20 IIBD C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 429137251 BNWPWEJLEXVZNM-CYBMUJFWSA-N 431.855 4.148 5 20 IIBD COc1ccc(CSCC(=O)Nc2c(SC)cnn2-c2ccccc2)cc1[N+](=O)[O-] 429874774 YLGCUSFFWNYLJW-UHFFFAOYSA-N 444.538 4.383 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 432047822 INFUPWZWHRONMB-UHFFFAOYSA-N 441.513 4.228 5 20 IIBD CC[C@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1nc(C(F)(F)F)cs1 432184729 FFIBZSMLYYHJKV-NSHDSACASA-N 440.403 4.265 5 20 IIBD CC(C)c1[nH]nc(C(=O)N[C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1[N+](=O)[O-] 433997152 MLBLZNDYGMZNOY-CYBMUJFWSA-N 439.447 4.324 5 20 IIBD COCCn1c(SCc2nc3cc([N+](=O)[O-])ccc3o2)nc2cc(Cl)ccc2c1=O 434792463 HSPIEANYFDLNGL-UHFFFAOYSA-N 446.872 4.038 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc(F)c(C(=O)N(C)C)c3)cc2[N+](=O)[O-])C1 438419338 OWUTYGJWOSHOGQ-GJZGRUSLSA-N 442.491 4.170 5 20 IIBD CC1CCN(c2cccc(NC(=O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)c2)CC1 438652120 WQMKNXXFUUUVJZ-UHFFFAOYSA-N 438.528 4.207 5 20 IIBD COc1ccc(OCCN2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c([N+](=O)[O-])c1 441498142 HVPVWCAABQKHDN-IBGZPJMESA-N 427.284 4.363 5 20 IIBD O=C(NC[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444477381 OKAOAQZVWDZBKS-QKVFXAPYSA-N 436.405 4.034 5 20 IIBD Cc1cc(SCc2nc(-c3c([N+](=O)[O-])nc(C)n3C)no2)c(C)cc1Br 445600138 IIUXIXXUNSPIAO-UHFFFAOYSA-N 438.307 4.358 5 20 IIBD CC(C)OCc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 447004455 BBGWLWUQGPEXNU-UHFFFAOYSA-N 429.292 4.083 5 20 IIBD COc1ccc([C@@H](Cc2ccccc2)NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)cc1 461082864 CEJKZCRLSXLAEA-HXUWFJFHSA-N 436.464 4.334 5 20 IIBD CCCN1CCC(N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cccs2)CC1 461315597 ZTBHCKXWFZPZBT-UHFFFAOYSA-N 440.573 4.274 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)c1nnc(CC2CCCCC2)n1C[C@@H]1CCOC1 461704419 QXKBTTVIBQTUOP-FQEVSTJZSA-N 427.549 4.025 5 20 IIBD COc1ccc([C@@H](NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c2ccc(C)cc2)cc1 465163262 FJTBFAHGIKXBOO-VWLOTQADSA-N 448.475 4.131 5 20 IIBD CN(C)CC(=O)Nc1ccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1 465360352 XLRCYHLPBZZRAO-UHFFFAOYSA-N 433.468 4.091 5 20 IIBD COc1c(CNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])c(C)nn1C 466530804 OWNFJVOVYPBREK-UHFFFAOYSA-N 446.916 4.380 5 20 IIBD CNC(=O)C1CCC(NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC1 466547551 DXUDGJRLGZSFQQ-UHFFFAOYSA-N 447.944 4.434 5 20 IIBD COc1cc(CN2CCO[C@@H](c3cccc(Cl)c3)C2)c([N+](=O)[O-])cc1OC(F)F 467178797 DAGXBMFDFOVQNG-GOSISDBHSA-N 428.819 4.432 5 20 IIBD Cc1sc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc2)cc1[N+](=O)[O-] 467405617 GPVKVCVWSQEYBA-UHFFFAOYSA-N 432.479 4.089 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 467720441 OFOXCSPVPCZYLG-KRWDZBQOSA-N 448.483 4.198 5 20 IIBD COc1cc(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 467720850 QJJMLIPOERHQOX-DYVFJYSZSA-N 445.903 4.262 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2 468200932 JEFKGUHLLMIRTP-SFHVURJKSA-N 436.537 4.366 5 20 IIBD C[C@H](C[S@@](C)=O)N(C)C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 468298505 PNOOTBBDZBVWJP-KHXSAUHESA-N 426.947 4.238 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1COCc1ccccc1 468712865 FJKYEXMNRJXSGB-UHFFFAOYSA-N 426.494 4.327 5 20 IIBD CCc1ccc(-c2csc(NC(=O)[C@H](CC)Nc3c([N+](=O)[O-])c(C)nn3C)n2)s1 469165064 LBIOODUUKUHQCZ-LBPRGKRZSA-N 434.547 4.213 5 20 IIBD CCc1ccc(C(=O)N[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1[N+](=O)[O-] 471433076 WUGVJVYIYWIVQT-QFIPXVFZSA-N 438.505 4.080 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[C@]4(C3)OCc3ccccc34)cc2[N+](=O)[O-])C1 471607605 WDECPZMRFYIMTE-FUMQJTLXSA-N 435.524 4.349 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccc(Oc2ccccc2)c(F)c1 472569544 YZNJWOQEHMWPPL-CYBMUJFWSA-N 441.390 4.481 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCSC[C@H]2c2cccc(C(F)(F)F)c2)cc1 472697249 GLNARMCSRZEYNQ-INIZCTEOSA-N 432.445 4.092 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3cccnc3C(F)(F)F)n2)c(Br)c1 472790943 LXPYSGAWAZRHGB-UHFFFAOYSA-N 429.152 4.412 5 20 IIBD CCO[C@H](C)c1nc(CN2CCN(C(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)cs1 473893025 ZDBARFTVTKYAGA-MRXNPFEDSA-N 446.573 4.230 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1cccnc1-c1ccc(Cl)s1 474525359 WTAHWSGVLIBZCG-UHFFFAOYSA-N 431.857 4.324 5 20 IIBD O=C(NC1CCN(C(=O)C2CC2)CC1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 476157999 NNNVACDUQFLERN-UHFFFAOYSA-N 443.887 4.171 5 20 IIBD COC(=O)[C@H](Cc1ccc(C)cc1)S[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 477064529 GXVCLIRHVCBUSG-ACJLOTCBSA-N 436.917 4.401 5 20 IIBD C[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(Br)cn1 477765872 NRQIGKLCMZNPEJ-SNVBAGLBSA-N 433.287 4.367 5 20 IIBD O=C(CCOCC(F)(F)C(F)F)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 477913527 ZWJGPWJRFXRLSV-UHFFFAOYSA-N 428.338 4.071 5 20 IIBD CN(C)Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1Cl 478053590 MANPSZPKUUBFFX-UHFFFAOYSA-N 426.698 4.254 5 20 IIBD Cn1c(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])nc2cccc(Cl)c21 478478511 UEKJRLOEXKURKF-UHFFFAOYSA-N 425.297 4.197 5 20 IIBD O=C(NCc1cccc(NC(=O)C2CCCCC2)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 479781287 VJQOJQCQFOQSJY-UHFFFAOYSA-N 447.495 4.229 5 20 IIBD Cc1c(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)nnn1-c1cccc([N+](=O)[O-])c1 479846768 JMIVFEBBJAVXJL-UHFFFAOYSA-N 425.876 4.157 5 20 IIBD CCCC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1 480209137 LZYXWNSVYDZWBG-UHFFFAOYSA-N 425.894 4.404 5 20 IIBD COc1ccc(-n2c(S[C@H](C)c3ccccc3[N+](=O)[O-])nnc2-c2cnccn2)cc1 481338540 JOEJTSUWSDOWIK-CQSZACIVSA-N 434.481 4.494 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)c2ccsc2)CC1 483179342 FSYUFJCENISENR-UHFFFAOYSA-N 433.555 4.003 5 20 IIBD COc1c(C(=O)N2c3ccccc3CC[C@H]2C(=O)Nc2ccccc2)cccc1[N+](=O)[O-] 483463908 PWNWNTWEQYSWAR-NRFANRHFSA-N 431.448 4.204 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cc(Cl)ccc2Br)cc1[N+](=O)[O-] 484175963 FGROXEBDQFMOOW-SNVBAGLBSA-N 440.681 4.135 5 20 IIBD CCOc1cccc2c1OCC(C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F)=C2 486072020 INQDPZSBHBEDDJ-UHFFFAOYSA-N 436.386 4.360 5 20 IIBD CSc1cccc(C(=O)Nc2ccc(C)c(NC(=O)CN3CCCCC3)c2)c1[N+](=O)[O-] 486229566 HJZIZJRELOPGQM-UHFFFAOYSA-N 442.541 4.302 5 20 IIBD Cc1ccc(-n2cc(C(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)c(C(C)(C)C)n2)cc1 487083558 LBRFOHIAKQCCRH-UHFFFAOYSA-N 436.516 4.060 5 20 IIBD Cc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 488971859 KXPRHGUAAODIKA-OAHLLOKOSA-N 425.304 4.192 5 20 IIBD CCn1c(SCC(=O)Nc2ccc(OC)c(Cl)c2)nnc1-c1ccc([N+](=O)[O-])cc1 489398360 YEWVYCISWIZUCR-UHFFFAOYSA-N 447.904 4.266 5 20 IIBD COCCN(C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)[C@H]1CCC[C@H]1C 489774022 CSASCJPWGVFHJB-LZJOCLMNSA-N 426.517 4.440 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C 490037794 GKKVSHCEWKESQR-SJCJKPOMSA-N 444.431 4.073 5 20 IIBD COc1ccc(Cn2ccc(NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 490385749 LDSATDMBTIYAEW-UHFFFAOYSA-N 432.889 4.232 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2nccnc2c1Br 491140408 UBRKTBWFSHDLFX-UHFFFAOYSA-N 430.262 4.007 5 20 IIBD COc1cccc(-c2noc([C@@H](C)NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)n2)c1 491383706 FMMFUKDSZZMYFN-CQSZACIVSA-N 437.456 4.089 5 20 IIBD COc1ccc(CN[C@@H](c2cc(OC)c(OC)c(OC)c2)C(F)(F)F)cc1[N+](=O)[O-] 492630196 PLXOAUJHNMJMDO-SFHVURJKSA-N 430.379 4.022 5 20 IIBD O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 494122092 YEHPXIWPQLQXHR-JTQLQIEISA-N 431.773 4.415 5 20 IIBD CCc1cc(N2CCC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)C2)ncn1 495272352 LBCYDWUKHMUJAZ-SFHVURJKSA-N 447.495 4.138 5 20 IIBD COc1cc(OCC(=O)N[C@H]2CCOc3c(-c4ccccc4)cccc32)ccc1[N+](=O)[O-] 505152316 WVQQBUOFDMCUAW-FQEVSTJZSA-N 434.448 4.289 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 505441083 XWBVIMWLGBXVFG-UHFFFAOYSA-N 446.794 4.254 5 20 IIBD CCc1cccc(OC[C@H](O)COc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 506337160 IIDHPVHJALQHRX-OAQYLSRUSA-N 436.464 4.228 5 20 IIBD Cc1ccc(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)cc1[N+](=O)[O-] 506989857 NVWMZSUKXFQHEQ-UHFFFAOYSA-N 433.302 4.144 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 510894873 ODHAVALLIYSMGK-ZDUSSCGKSA-N 448.306 4.336 5 20 IIBD COc1ccc(C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)c2ccc(OC)cc2)cc1 511148839 YQXCUQJOPXLRHF-OAQYLSRUSA-N 436.464 4.334 5 20 IIBD CN(Cc1ccco1)Cc1ccccc1CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 511420152 IGRWSJKUBIPHSU-UHFFFAOYSA-N 436.512 4.204 5 20 IIBD COc1cc(C)ccc1NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] 512319196 GPTWNULOXPGLIG-UHFFFAOYSA-N 429.454 4.208 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)cc1OC 512494210 NYFAHYUSIMTRPK-LJQANCHMSA-N 447.919 4.222 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)N1CC[C@H](COC(F)F)C1 512822200 FPJUKPWTYXAENQ-SCLBCKFNSA-N 439.846 4.489 5 20 IIBD CC(=O)N(c1ccc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1)[C@H]1C[C@H]1C 516206682 BOSYASJEPAEOJE-SZNDQCEHSA-N 433.468 4.009 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N[C@H]2CCSc3ccc(F)cc32)c1 517488501 ASDZZRVKDCUTJJ-AWEZNQCLSA-N 447.307 4.012 5 20 IIBD COc1cc(C(=O)NCC2(N[C@H](C)c3ccccc3)CCCC2)c([N+](=O)[O-])cc1OC 518335678 WFGLPIVQGYDMPZ-MRXNPFEDSA-N 427.501 4.005 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 520702512 WGVVRMWZUUZGGP-INIZCTEOSA-N 431.514 4.027 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 521275930 ZQERLSQQIHROSD-ZDUSSCGKSA-N 428.876 4.298 5 20 IIBD O=C(Nc1cc(C2CCCCCC2)[nH]n1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 524571952 AGTYSISKOLALRN-OAHLLOKOSA-N 431.518 4.061 5 20 IIBD C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1NS(=O)(=O)c1cccs1 533609504 WBAKOCLIDPWDOM-LLVKDONJSA-N 437.524 4.010 5 20 IIBD COc1cccc(CN(C)C(=O)CSCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1 534059871 XZBCIFMSNZXDSL-UHFFFAOYSA-N 427.482 4.150 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(n3cc(Br)cn3)CC2)nc1-c1ccccc1 534881188 PEEVRKCSVDWWRP-UHFFFAOYSA-N 428.290 4.457 5 20 IIBD COc1cc(CN2CC[C@H](C)[C@@H](n3ccnc3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 537724760 KRRVPPKXDLOMDK-AVRDEDQJSA-N 436.512 4.462 5 20 IIBD C[C@@H]1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC12CCC2 538924427 JYTSMWWOVALSEG-MRXNPFEDSA-N 443.525 4.048 5 20 IIBD O=C(Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)Nc1cc2c(cc1Cl)OCCCO2 539271402 AEISRBVZOLSHLI-UHFFFAOYSA-N 437.239 4.051 5 20 IIBD O=C(Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)N1N=C(c2ccco2)C[C@H]1c1ccco1 539273606 WGEKJGSMAXKJDA-INIZCTEOSA-N 439.815 4.162 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1)N1CCOCC1 539601906 SPMDUXPRQGQNCQ-OAQYLSRUSA-N 443.569 4.290 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 542067826 FCGTXXYGKQBTIE-IBGZPJMESA-N 433.386 4.238 5 20 IIBD CCN(CC)c1ccc(-c2noc(Cn3c4ccccc4c(=O)c4ccccc43)n2)cn1 544587824 GZZQKDFVTGJWRQ-UHFFFAOYSA-N 425.492 4.494 5 20 IIBD CCc1ccc([C@H](c2cccnc2)N(CC)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 545470976 VZOWWEBKYURLIE-JOCHJYFZSA-N 425.510 4.352 5 20 IIBD O=C(CCOCC(F)F)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 555253499 INCVPBBMFNBMGM-UHFFFAOYSA-N 432.782 4.468 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 557244725 DTUILQTYUCBLGR-UHFFFAOYSA-N 429.782 4.286 5 20 IIBD COCCC[C@@H](CNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc(Cl)cc1 558106688 DEWXNJLWCBPMJL-KRWDZBQOSA-N 449.939 4.002 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(Cc3csc(-c4ccccc4)n3)no2)c1N1CCOCC1 561855817 BWBXGIGYQUUCIK-UHFFFAOYSA-N 449.492 4.196 5 20 IIBD COc1ccc(CNCc2cc(Br)cc(Br)c2)cc1[N+](=O)[O-] 567423172 FLAAGWWEVYQADZ-UHFFFAOYSA-N 430.096 4.418 5 20 IIBD COc1ccc(CNC(=O)N(C)[C@@H](C)Cc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] 567534066 FNPSZTYIYGINBC-ZDUSSCGKSA-N 425.407 4.395 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C2(S(=O)(=O)c3ccccc3)CCCCC2)cc1[N+](=O)[O-] 573601495 YIYUQVXDCVETFC-QGZVFWFLSA-N 430.526 4.257 5 20 IIBD Cn1ccnc1[C@@H](NC[C@H]1CCCCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 575167582 JEPHMKNMYNVCJX-QPPBQGQZSA-N 433.556 4.310 5 20 IIBD COc1cc(Cc2noc(-c3oc4ccc(OC)cc4c3C)n2)c([N+](=O)[O-])c(OC)c1 575979483 RAMYNHGSXRCQDZ-UHFFFAOYSA-N 425.397 4.316 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@](CO)(Cc2ccc(F)cc2)C1 582342934 XMKMDXGOASVLDT-QFIPXVFZSA-N 432.517 4.303 5 20 IIBD COCCN(C(=O)[C@@H](C)Oc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603461153 AHQQQXHVUJWWHB-OAHLLOKOSA-N 427.482 4.165 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccc(Br)cc3O)cc2)c(C)c1[N+](=O)[O-] 603626773 WRBLHNBMMBSFDS-UHFFFAOYSA-N 445.273 4.177 5 20 IIBD COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 603682782 XYOQGEZBMJVCDE-DEOSSOPVSA-N 446.507 4.105 5 20 IIBD COc1ccc(CNC(=O)NCc2cccc(COCc3ccccc3)c2)cc1[N+](=O)[O-] 604105031 JOBNZGCWJIVIDT-UHFFFAOYSA-N 435.480 4.320 5 20 IIBD COc1ccc(CNCCN2Cc3ccccc3C2)cc1OCc1ccc([N+](=O)[O-])cc1 608782093 FDXQPZFIMMXBEQ-UHFFFAOYSA-N 433.508 4.288 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCC[C@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 608880584 IQNHKHSNXVAEMO-XSLAGTTESA-N 427.501 4.100 5 20 IIBD COC(=O)c1occc1CN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@@H](C)c1ccccn1 608961470 QGKWQSUKJOWFAF-AWEZNQCLSA-N 448.435 4.254 5 20 IIBD C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCc2[nH]c3c(Br)cccc3c2C1 609196959 IFLCJZUDXGMCAE-GFCCVEGCSA-N 443.301 4.224 5 20 IIBD C[C@@H](c1ccc(Cl)cc1)N(C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 609761978 UVEXYRPLWZBHPT-LBPRGKRZSA-N 436.295 4.384 5 20 IIBD CC(C)(C)OC(=O)Cc1cccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 610306760 QGVVLQXXBOKCKI-UHFFFAOYSA-N 439.512 4.334 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCc2c(F)cc(Br)cc2C1 610728072 SCRHZHKIRWWUMU-UHFFFAOYSA-N 427.657 4.277 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CN2CCCCCC2)CC1 611200627 FEUGYKFORFMJRB-UHFFFAOYSA-N 435.590 4.062 5 20 IIBD CS(=O)(=O)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cc1 611205693 UNNQEZPVCQMQRU-UHFFFAOYSA-N 434.539 4.426 5 20 IIBD COc1ccc(-c2ccc(CN(C)Cc3ccc(C(=O)NC4CC4)cc3)o2)c([N+](=O)[O-])c1 611255483 INIDENURVISYSL-UHFFFAOYSA-N 435.480 4.388 5 20 IIBD COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 611333931 UVRKDDAJWVDPGB-QGZVFWFLSA-N 425.485 4.390 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(SCc2cccnc2)cc1 619466547 XFKODLAEYNHBHY-UHFFFAOYSA-N 431.495 4.092 5 20 IIBD CSc1cccc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2Br)c1 725985352 RFYNHPOLZYHCBD-SNVBAGLBSA-N 439.287 4.263 5 20 IIBD Cc1c(C(=O)N[C@H]2CCc3c(Br)cccc32)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 727714414 CDCQWDPKBGHHDN-HNNXBMFYSA-N 434.246 4.300 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@@H](Cn2ccnc2)C(C)(C)C)cc1[N+](=O)[O-])c1ccccn1 729339513 YUFZBNCWCITPBT-KKSFZXQISA-N 436.516 4.204 5 20 IIBD Cc1cccc2nc(COC(=O)c3ccc(N[C@@H](C)c4ccccn4)c([N+](=O)[O-])c3)cn12 730040858 IRFPXSMOLGRKEY-INIZCTEOSA-N 431.452 4.476 5 20 IIBD Cc1ccc2nc(-c3cccnc3)cc(C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)c2c1 730494450 VMLFEIUZKCKZTQ-UHFFFAOYSA-N 442.431 4.309 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1sccc1S(=O)(=O)C(F)F 730956504 KBAKUQMAUNHWQJ-UHFFFAOYSA-N 445.450 4.028 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC([C@H](O)c2ccc(F)cc2)CC1 731033817 CZFQPILSYDNROK-RNODOKPDSA-N 435.883 4.160 5 20 IIBD O=C(Nc1sccc1C(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl 731651316 CYDYQSHWASMANW-UHFFFAOYSA-N 445.884 4.371 5 20 IIBD CC[C@@H](Sc1ccccc1)C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 732504666 ACPGQKWDCLBJOC-OXQOHEQNSA-N 428.510 4.314 5 20 IIBD COc1cc(C)sc1C(=O)O[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 733839509 ITAMAAHSNXTSMS-LLVKDONJSA-N 447.494 4.281 5 20 IIBD C[C@@H]1CN(c2ccc(NC(=O)NCCCCc3ccc([N+](=O)[O-])cc3)cc2F)C[C@@H](C)O1 740023007 OWUNNMHUDWYVBN-IAGOWNOFSA-N 444.507 4.492 5 20 IIBD CC(C)C(=O)N(C)Cc1ccc(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 741567844 IUKDBVZMSSZSRU-UHFFFAOYSA-N 437.452 4.221 5 20 IIBD Cc1ccc(N2CCC[C@H](OC(=O)c3ccc(Br)c([N+](=O)[O-])c3)C2=O)cc1 741818721 BDKABFQSMBBPRX-KRWDZBQOSA-N 433.258 4.018 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(Cn3nc(Cc4cccs4)oc3=S)CC2)cc1 743389870 DQXFVVPZNFTIKV-UHFFFAOYSA-N 432.527 4.267 5 20 IIBD O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCCN(c2ncnc3sccc23)C1 744153333 VEVPVSFSPCMJSB-ZDUSSCGKSA-N 432.889 4.213 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 746638565 QICMILGGAFVFKD-UHFFFAOYSA-N 447.391 4.121 5 20 IIBD Cc1ccc(C(=O)N2CCC[C@H](COC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C2)o1 747229885 RUHWGYGMCUBZRX-ZDUSSCGKSA-N 440.374 4.224 5 20 IIBD O=[N+]([O-])c1ccc(OC(F)F)c(NC(=S)NCc2ccc(Br)cc2)c1 747645124 DZRKQFCKKJCGCH-UHFFFAOYSA-N 432.246 4.445 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 749506482 XIHMIIZBJBCNBQ-JOTOCRJQSA-N 435.883 4.302 5 20 IIBD CCCC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)C(=O)Nc1cccc(N2CCCC2)c1 751148379 SZQNDNVPRZBKNR-OAQYLSRUSA-N 442.491 4.261 5 20 IIBD CCCN(CCC)C(=O)c1cccc(C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)c1 751659548 KBLVBJMGZRJBKC-UHFFFAOYSA-N 425.441 4.355 5 20 IIBD O=C(CCN1CCC(C(=O)c2ccc(Cl)cc2)CC1)Nc1cc([N+](=O)[O-])ccc1F 753915440 MNDDFQYYYQCKDY-UHFFFAOYSA-N 433.867 4.311 5 20 IIBD CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754996054 JBNDDNKNIKNIKO-UHFFFAOYSA-N 438.297 4.220 5 20 IIBD Cc1ccc([C@@H]2C[C@@H](OC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)CCO2)cc1 757490212 ZZBWJZYCKPVXBR-KSZLIROESA-N 444.509 4.033 5 20 IIBD CC(C)(C)OC(=O)NCCOc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)cc1 758381486 IMXPVBFNQMGVJK-UHFFFAOYSA-N 434.424 4.281 5 20 IIBD CN([C@@H](c1ccc(Cl)cc1)C(F)(F)F)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 758459490 AEEWHQFZLGCZQE-AWEZNQCLSA-N 426.775 4.311 5 20 IIBD O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC(=O)c1cccnc1Br 759061421 WYBBQXGZACQQLT-UHFFFAOYSA-N 426.226 4.236 5 20 IIBD CN(C(=O)c1cccc(C(=O)O[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1)c1ccccc1 759954170 YEHIUACFSSHUMZ-NHCUHLMSSA-N 448.479 4.409 5 20 IIBD CC[C@@H](C)n1ncc(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1C1CC1 760623741 ARIZHIAFHZQUHO-VXGBXAGGSA-N 434.880 4.477 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(Cc3cc(Br)ccc3F)no2)ccc1-n1ccnc1 761655149 ZJKBUWACQWDJAG-UHFFFAOYSA-N 444.220 4.323 5 20 IIBD O=[N+]([O-])c1ccc(I)c(-c2nc(-c3ccc4ncccc4c3)no2)c1 761776234 ZXVCYOFAISZGRS-UHFFFAOYSA-N 444.188 4.465 5 20 IIBD Cc1ccc(-c2noc([C@H](C)OC(=O)c3cc([N+](=O)[O-])ccc3SCCO)n2)cc1F 763743296 FWZOUENMKTXKSA-LBPRGKRZSA-N 447.444 4.095 5 20 IIBD C[C@H](CC(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 764057650 PQIAFSRLDSAUQC-HUUCEWRRSA-N 447.488 4.453 5 20 IIBD C[C@H](OC(=O)c1ccc(Br)c(Cl)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 764098211 DLINVPNHHVBMAE-VIFPVBQESA-N 427.638 4.195 5 20 IIBD Cc1nn(CN2CCO[C@H](c3cccc(Br)c3)C2)c2ccc([N+](=O)[O-])cc12 764947297 RWKXMMMIGCATNE-IBGZPJMESA-N 431.290 4.046 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 765062380 TVDPOLZMWPLLGB-WMZOPIPTSA-N 442.516 4.308 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OC[C@H]1CCCN(C(=O)c2ccc(C)o2)C1 765605763 YNSNVKKYFJYANR-RBUKOAKNSA-N 428.485 4.161 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCc1ccc(OCc2ccccc2F)cc1 766685231 ZMYWFXASKAUYCH-UHFFFAOYSA-N 428.391 4.147 5 20 IIBD C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2I)c2c(O)cccc21 768662526 AEFOMPMICMYIBN-SNVBAGLBSA-N 438.221 4.059 5 20 IIBD CCOc1ccc(-c2nc(COC(=O)c3cc(Br)ncc3[N+](=O)[O-])co2)cc1 769839414 OLOISJUGGRCYJB-UHFFFAOYSA-N 448.229 4.163 5 20 IIBD C[C@H](N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H](O)c1c(Cl)cccc1Cl 773047533 VRLYIDMDBKXXCH-UYSIFFEZSA-N 426.300 4.330 5 20 IIBD COc1ccc(-c2nc(CC(=O)N3CCc4cc(C)c([N+](=O)[O-])cc43)cs2)cc1OC 773986997 ADPCLXMOEGFUSL-UHFFFAOYSA-N 439.493 4.176 5 20 IIBD CC(C)([C@H](OC(=O)c1cc(O)nc(C2CC2)c1)c1ccc(Br)cc1)[N+](=O)[O-] 774372195 BFLZOIYHTLPICL-QGZVFWFLSA-N 435.274 4.381 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2nnc(S)n2C2CC2)C1 775538306 SJNGIUYRTGKIGC-ZDUSSCGKSA-N 447.586 4.330 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 776265800 QYFZPKHPZGTARO-INIZCTEOSA-N 443.656 4.364 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC(O)(c2c(F)cccc2F)CC1 779247545 IDXNYQDIBXXCCF-UHFFFAOYSA-N 430.329 4.016 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 783938124 HOUQXVLQDJFGRP-JGGQBBKZSA-N 438.912 4.405 5 20 IIBD O=C(NCC1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1)OCc1ccccc1 784800946 RJPZAOVZOGDMLY-UHFFFAOYSA-N 435.427 4.339 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790483173 BYJMXLQZTSQVIK-UHFFFAOYSA-N 430.867 4.108 5 20 IIBD O=C([C@H]1C[C@@]12CCc1ccccc12)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791173369 SQSGCOVHGWPJKJ-DYESRHJHSA-N 427.298 4.146 5 20 IIBD O=C(COC(=O)C1CC(c2ccc(F)cc2)C1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 796109728 FEZYTKLWJVCJFP-UHFFFAOYSA-N 440.349 4.428 5 20 IIBD C[C@H](OC(=O)[C@H]1CCC(F)(F)C1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 796382727 WPSFLSGSFJIQMU-JQWIXIFHSA-N 425.413 4.024 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 797511994 KPPUHPKHVWMBFM-UHFFFAOYSA-N 449.250 4.191 5 20 IIBD CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 801043472 FLXICGAMFHHSKN-HXUWFJFHSA-N 433.911 4.347 5 20 IIBD CCc1ccc(-c2noc(COC(=O)c3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])n2)cc1 806319226 GRAQFKSPDFRKQB-UHFFFAOYSA-N 449.366 4.174 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N(Cc1ccccc1)CC1CCC1 810357294 UAXCDTPZRSTPPO-UHFFFAOYSA-N 446.301 4.125 5 20 IIBD CC(C)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nc1 811262013 BSFBYDLIBPNNGR-ZDUSSCGKSA-N 440.481 4.421 5 20 IIBD C[C@@H](c1ccc(F)cc1)N1CC[C@H](OC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1=O 815180888 YNGAKBAHDQRSDN-SJCJKPOMSA-N 428.441 4.468 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccccc1Cl 815511741 VQJBIQDKROHQLF-SNVBAGLBSA-N 430.766 4.301 5 20 IIBD COc1ccccc1[C@@H](CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)NC(=O)OC(C)(C)C 815561418 GQQXXTGASBLIJG-KBXCAEBGSA-N 430.505 4.102 5 20 IIBD Cc1cc(NC(=O)[C@@H](C)OC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)ccc1Br 857830739 CXKJWVLHUNBUBT-LLVKDONJSA-N 446.257 4.331 5 20 IIBD Cc1ccc(-c2csc(NC(=O)[C@@H]3CC(=O)N(c4ccc(F)c([N+](=O)[O-])c4)C3)n2)s1 913127432 WFWZFTHCYOHSFO-LLVKDONJSA-N 446.485 4.219 5 20 IIBD O=[N+]([O-])c1ccc(NC(=S)Nc2cccc(S(=O)(=O)Nc3ccccc3)c2)cc1 915272136 GIRCFGSMUQWZHK-UHFFFAOYSA-N 428.495 4.205 5 20 IIBD C[C@H](OC(=O)CCSC(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 919277276 YAMWHSXBCJBIDV-ZETCQYMHSA-N 434.314 4.127 5 20 IIBD COc1ccc2cc(CN(C)C(=O)[C@H](C)OC(=O)c3ccc([N+](=O)[O-])cc3F)ccc2c1 919568460 ZXKWQJXJLWTQDC-AWEZNQCLSA-N 440.427 4.100 5 20 IIBD C[C@H](Sc1ccc(Cl)cc1)C(=O)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 920147105 FKVVJACQDSZCBF-NSHDSACASA-N 443.308 4.355 5 20 IIBD C[C@H](OC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 923162015 UVHUBXKBDANWGS-HNNXBMFYSA-N 426.450 4.314 5 20 IIBD O=C(Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1)c1cn2ccccc2n1 923514975 MARBKCUHDODGKL-UHFFFAOYSA-N 436.811 4.367 5 20 IIBD COc1cccc(N2CCC(NC(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)CC2)c1 1116369843 FVVBKQYKQWSJMX-UHFFFAOYSA-N 448.317 4.073 5 20 IIBD COc1ccc([N+](=O)[O-])c(-c2nc([C@H](NC(=O)OC(C)(C)C)c3ccccc3)no2)c1 1119616290 KLPBLRZBWBOFAC-QGZVFWFLSA-N 426.429 4.268 5 20 IIBD Nc1nc(-c2ccccc2)c(CC(=O)OCc2ccc([N+](=O)[O-])cc2Br)s1 1255118174 MSDFFHQTRHKISF-UHFFFAOYSA-N 448.298 4.349 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCCC[C@@]32c2ccccc2)cc1OC 1319367216 CBWRFLXOWJEZAF-HOYKHHGWSA-N 440.496 4.170 5 20 IIBD Nc1c(C(=O)N(Cc2ccc(O)cc2)Cc2ccco2)cc(Br)cc1[N+](=O)[O-] 1321445777 IVJMFXSUZXXPSZ-UHFFFAOYSA-N 446.257 4.081 5 20 IIBD CC1CCN(C[C@@H](C)c2nnc(CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])o2)CC1 1326265836 ICVVMIIAWQQACD-CQSZACIVSA-N 441.454 4.487 5 20 IIBD CCN(CC)Cc1csc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)n1 1332141664 KCHXWUJNFFUMTC-UHFFFAOYSA-N 431.562 4.382 5 20 IIBD CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 1333687949 DBXLMEUEKYJMDY-UHFFFAOYSA-N 427.501 4.214 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H](c2cccc3ccccc23)C(F)(F)F)cc1 1356535732 VWAOWTNQVIGSGB-LJQANCHMSA-N 438.427 4.415 5 20 IIBD CC(C)(F)C(=O)NC1(c2ccc(NC(=O)CCc3cccc([N+](=O)[O-])c3)cc2)CCC1 1786600092 IXLFPDYTWSAAPQ-UHFFFAOYSA-N 427.476 4.410 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3sccc3F)CCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 1790184431 QWSRAHZSLMBWOU-UHFFFAOYSA-N 428.445 4.185 5 20 IIBD C/C(=C\c1cccs1)C(=O)N1CCC2(CCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)CC1 1804641870 KGUNQMBWPRXRRW-JQIJEIRASA-N 443.525 4.198 5 20 IIBD C[C@@H]1CCC[C@H]1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)n[nH]1 1821166512 XKEWFSQQBRXERN-XVSDVWIESA-N 443.479 4.199 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)CC2CCCC2)[nH]n1)c1cccc(F)c1[N+](=O)[O-] 1821170196 PXLHNZYEWSXFNC-GOSISDBHSA-N 443.479 4.343 5 20 IIBD CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)CCCCC1 1831790706 OCULXNHSXCIHQN-SFHVURJKSA-N 431.533 4.392 5 20 IIBD O=C(COC(=O)CCSc1ccccc1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 10594322 NCIVJUUVQPUDHA-UHFFFAOYSA-N 428.388 4.278 5 20 IIBD O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1 11029353 IBXNIPFIWXCFPV-UHFFFAOYSA-N 438.823 4.275 5 20 IIBD O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccccc1N1CCCC1=O 11509159 QVQXDHHYEQVCOB-UHFFFAOYSA-N 428.495 4.062 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)cc([N+](=O)[O-])c1 15239712 DHOAGVYOPIDECI-UHFFFAOYSA-N 449.250 4.185 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)OCc2csc(-c3ccccc3OC)n2)cc1OC 18969363 HRGYWHNGFFQNQI-UHFFFAOYSA-N 444.465 4.491 5 20 IIBD COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)Cc1ccc([N+](=O)[O-])cc1)CC2 24445178 RIKSDFXBSJFRRW-QHCPKHFHSA-N 438.505 4.390 5 20 IIBD COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 28699455 ZZTSZMLLORZUBQ-MRXNPFEDSA-N 449.463 4.400 5 20 IIBD Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)OC(=O)Cn1c2ccccc2c(=O)c2ccccc21 28775008 UEJFDHVKXYHKDR-RTBURBONSA-N 442.515 4.272 5 20 IIBD Cc1c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nnn1-c1cccc([N+](=O)[O-])c1 31874710 OANASIBOKWAODC-UHFFFAOYSA-N 425.754 4.408 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1 58638106 LHBYITKHXLFJPV-UHFFFAOYSA-N 425.876 4.414 5 20 IIBD O=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 64898388 BIVTXPSTOOKTMW-UHFFFAOYSA-N 445.884 4.115 5 20 IIBD CCOc1ccc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)cc1[N+](=O)[O-] 69476407 KAPMQODFKVOSCJ-HNNXBMFYSA-N 427.482 4.429 5 20 IIBD O=C(Nc1ccc2c(c1)Cc1ccccc1-2)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 105822368 ILCRANMIOUJPLL-MRXNPFEDSA-N 431.423 4.297 5 20 IIBD CC(C)(C)OC(=O)N1CCN(CCCNC(=O)c2cc3ccccc3c3cccnc23)CC1 108244963 NWSHZFISMJAUNZ-UHFFFAOYSA-N 448.567 4.061 5 20 IIBD COc1ccc(-c2ccc(CNCC(=O)Nc3ccc(F)c(F)c3F)o2)c([N+](=O)[O-])c1 237424948 BUCMSJDVBDBADA-UHFFFAOYSA-N 435.358 4.009 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 301701517 DQPWOANOHQDNKI-GFCCVEGCSA-N 446.485 4.009 5 20 IIBD CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 303418188 XIHARVPATMLPRO-SJLPKXTDSA-N 429.904 4.163 5 20 IIBD Cc1ccn2cc(-c3ccc(NC(=O)c4cn(-c5cccc([N+](=O)[O-])c5)nn4)cc3)nc2c1 303435194 XQUKTBIFIDHXKX-UHFFFAOYSA-N 439.435 4.051 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@H]1CCCO[C@@H]1c1ccccc1 409564313 YILALGRZWWXKPO-NFQMXDRXSA-N 426.516 4.439 5 20 IIBD C[C@@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1cc(Cl)ccc1Cl 409857680 UNSQCLLAMLVEMV-LLVKDONJSA-N 438.267 4.467 5 20 IIBD Cc1cnc(C2CCN(C(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC2)s1 426259359 XTTREXYSVODAJK-UHFFFAOYSA-N 428.436 4.468 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCS[C@H]2COCC[C@H]21 427276542 OXDQKPMTSKOHIJ-APWZRJJASA-N 434.901 4.387 5 20 IIBD CCN(C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C(c1ccccc1)c1ccccc1 430981242 ANHHURRCVMYDRR-UHFFFAOYSA-N 446.507 4.032 5 20 IIBD CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccc(Br)cn1 432678658 FSGTXLZRTHPQPO-UHFFFAOYSA-N 429.068 4.182 5 20 IIBD COC(=O)C[C@H](NC(=O)c1cc(SC)ccc1[N+](=O)[O-])c1ccc(Cl)c(F)c1 433552997 ICPQUNJBSQYKJF-HNNXBMFYSA-N 426.853 4.143 5 20 IIBD NC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)n1 435366291 XOMSKECYNZEJOF-UHFFFAOYSA-N 428.857 4.146 5 20 IIBD O=C(NCCc1nc2c(s1)CCCC2)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436331125 FSGMTJIMDSBIHW-UHFFFAOYSA-N 439.487 4.267 5 20 IIBD C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] 436427764 HXUXKHDKONYEID-XOBRGWDASA-N 440.887 4.179 5 20 IIBD O=C(Nc1ccc(Sc2ccncc2)cc1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 437070335 WHBNXVUWQCLCOF-UHFFFAOYSA-N 448.504 4.271 5 20 IIBD Cc1coc(-c2ccc(C)c(NC(=O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)c2)n1 438656268 OTHIWZVCKBBNLN-UHFFFAOYSA-N 436.468 4.242 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 438662660 TUUSJEFJCRHWBB-UHFFFAOYSA-N 449.511 4.047 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1 441674554 YWMMNGBVYXUGEA-UHFFFAOYSA-N 444.491 4.403 5 20 IIBD COc1ccc([C@H](NC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c2ccc(F)cc2)cc1 444973196 IAPWPKQLOQPJJZ-JOCHJYFZSA-N 449.442 4.208 5 20 IIBD COC(=O)c1ccc(OC(C)C)c(NC(=O)c2sc(Br)cc2[N+](=O)[O-])c1 446022978 YCOOMEHGJROQKJ-UHFFFAOYSA-N 443.275 4.245 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)c(C(F)(F)F)c1 447039229 HSUXNSNBSCWIJI-KDOFPFPSSA-N 444.431 4.060 5 20 IIBD COCCN(C(C)=O)c1nc(CSc2ccc(Br)cc2[N+](=O)[O-])cs1 447355489 PVLQUHVQJZSLDZ-UHFFFAOYSA-N 446.348 4.105 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC(n4ccc(C)n4)CC3)cc2[N+](=O)[O-])n1 447617777 DTCZOLHEHBOJJV-UHFFFAOYSA-N 443.554 4.493 5 20 IIBD COc1ccc(-c2ccc(CN[C@@H]3CC(=O)N([C@H]4C[C@@H]4c4ccccc4)C3)o2)c([N+](=O)[O-])c1 462757675 RGQUHUCAGHNDPJ-YHYVQYDKSA-N 447.491 4.110 5 20 IIBD C[C@H](c1nc2ccccc2s1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 463689563 WOPFJBJQIHZMNI-GFCCVEGCSA-N 428.495 4.134 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1nc2ccc(Br)cc2[nH]1 464577709 VSBNAPGBHYQBIS-QMMMGPOBSA-N 439.653 4.293 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)cc1OC 464889214 DEYLXFBYSWDYEY-HTAPYJJXSA-N 428.485 4.208 5 20 IIBD Cc1c(C(=O)N(CCc2cccc(F)c2)C2CCCC2)nnn1-c1cccc([N+](=O)[O-])c1 465099914 ZXTBMICMVWSDPO-UHFFFAOYSA-N 437.475 4.251 5 20 IIBD C[C@@H]1CCN(CCOc2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)C1 465189886 YUNNHQGSEYUJDF-GOSISDBHSA-N 438.528 4.168 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])NCc1cccc(NC(=O)c2ccc(F)cc2)c1 465680333 FGHWICFWKFFNGN-UHFFFAOYSA-N 436.443 4.028 5 20 IIBD O=C(NCCc1ccccc1C(F)(F)F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465751956 JGOLHVPCQGKYJD-UHFFFAOYSA-N 437.418 4.409 5 20 IIBD CC(C)[C@@H](CNC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)Cc1ccccc1 469528547 FWKJVJQPZYGFLI-GOSISDBHSA-N 439.541 4.119 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2cccc(C)c2Br)ccc1[N+](=O)[O-] 470147707 QEYKVDKBTLBGFD-KRWDZBQOSA-N 446.301 4.217 5 20 IIBD C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 470176149 UWYLARKDTCCDMY-TXQCQQFXSA-N 449.507 4.312 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H](CN(C)CC3CC3)C2)cc1 470238674 HWQHKXNUBQJOAV-GOSISDBHSA-N 439.512 4.200 5 20 IIBD CCS(=O)(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)s1 471284991 BUTWFJMQARJPBA-UHFFFAOYSA-N 442.584 4.128 5 20 IIBD COC[C@H](Cc1ccccc1)NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 471611841 QTZUTLYPLHRLCS-XLIONFOSSA-N 434.496 4.150 5 20 IIBD C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 474658510 ROYBUCNSACNWAW-GTMAHKLRSA-N 444.431 4.107 5 20 IIBD CCOc1cc(N2CCN(Cc3ccccc3OCc3ccncc3)CC2)ccc1[N+](=O)[O-] 475515178 ZYULWPXTZBEDQY-UHFFFAOYSA-N 448.523 4.290 5 20 IIBD O=C(NCC(=O)N1Cc2ccccc2C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 477521308 DXHAIJRRKDSNSW-UHFFFAOYSA-N 433.489 4.018 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1cc(Br)ccc1N1CCCC1 477523319 UUYQRDDTDUNFFB-UHFFFAOYSA-N 433.306 4.317 5 20 IIBD CC(C)c1ncc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cn1 478640975 XYVZVCQTDIGLNA-UHFFFAOYSA-N 437.422 4.382 5 20 IIBD Cc1sc([C@@H](C)NC(=O)CCn2cc([N+](=O)[O-])nc2C)nc1-c1ccc(Cl)cc1 479204688 LITAYHOFMCIXQH-LLVKDONJSA-N 433.921 4.453 5 20 IIBD CCOC(=O)c1csc([C@H]2CCCN2C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 479703152 UPHDIABKPNIGMR-CZUORRHYSA-N 432.502 4.144 5 20 IIBD COc1cc(C(=O)NC[C@@H]2CCC[C@H](C)[C@H]2C)c([N+](=O)[O-])cc1OCc1cscn1 482682851 KUYFHFUTVAYBPM-ZNMIVQPWSA-N 433.530 4.441 5 20 IIBD COc1ccc(C(=O)N2CCCC2)cc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 482978945 AVRBOZKJYWVIDQ-UHFFFAOYSA-N 438.484 4.036 5 20 IIBD COc1c(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)cccc1[N+](=O)[O-] 484606249 NILNKYOZZDZKKP-UHFFFAOYSA-N 435.259 4.137 5 20 IIBD CCc1cc(N2CCC[C@H](CNC(=O)c3ccccc3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 484813901 WIDCOKVADWQISU-GOSISDBHSA-N 445.523 4.261 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC(c2c(F)cccc2F)CC1 485596322 YCFORFCFHMPRCE-UHFFFAOYSA-N 429.467 4.496 5 20 IIBD CC1CCN([C@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c2cccs2)CC1 497982609 KNHPAUPMHQRVLF-HXUWFJFHSA-N 426.542 4.200 5 20 IIBD O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1c1nc2sccn2c1[N+](=O)[O-] 498856270 PIQRBWHWUDIAOE-LBPRGKRZSA-N 426.285 4.218 5 20 IIBD CC[C@@H]1CCCCN1CCNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 499659221 NKGOBJGAVXXIQC-PKOBYXMFSA-N 425.533 4.157 5 20 IIBD Cc1cc(=O)c(C(=O)N(C2CC2)[C@H]2CCCc3ccccc32)nn1-c1ccccc1[N+](=O)[O-] 500231460 QMDPQJJQPWNVMX-FQEVSTJZSA-N 444.491 4.131 5 20 IIBD COc1ccccc1-c1nc(C[S@@](=O)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cs1 501305150 DUSZNLBMONUTEN-PMERELPUSA-N 446.506 4.042 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H]1CCCC[C@H]1OC(F)F 501679558 CZXZPERRZSDTPT-ZYHUDNBSSA-N 428.379 4.372 5 20 IIBD COc1cc(-c2nc(C(C)(C)NC(C)=O)no2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 504615073 PTYBBDJSLAPOIV-UHFFFAOYSA-N 446.847 4.470 5 20 IIBD CCSc1ccc([C@@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 504729374 JSUWPLRPHDQJNX-IIBYNOLFSA-N 441.553 4.497 5 20 IIBD CCOC(=O)c1ccc(F)c(C)c1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 505413347 GPYQARBTWZZPTM-UHFFFAOYSA-N 439.237 4.163 5 20 IIBD CS[C@H](C)CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 507878324 GLPDRQBENJEHCS-SJKOYZFVSA-N 438.347 4.378 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CCS[C@H]2CCCC[C@@H]21 510146427 HXEAHWXTGQTIEO-GJZGRUSLSA-N 446.310 4.008 5 20 IIBD CCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2I)cc1 510187706 ZXJMIRDPNOBZMP-UHFFFAOYSA-N 426.210 4.241 5 20 IIBD COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 510573493 YPBLPYJUSXYGPQ-SFHVURJKSA-N 448.317 4.455 5 20 IIBD O=C(Nc1ccc(OC(F)F)cc1)c1ccc([N+](=O)[O-])cc1I 511104331 HSIXHYGLGXULSU-UHFFFAOYSA-N 434.136 4.053 5 20 IIBD O=C(Nc1ccc2nc[nH]c2c1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 511323978 JFSIOUSBGJBNPE-UHFFFAOYSA-N 433.390 4.345 5 20 IIBD Cc1ccc(C(=O)N2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)s1 511469934 BCNYXKXRIWNPAP-UHFFFAOYSA-N 428.539 4.046 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)cc1 511564958 RJURJFFQKCEKDC-SFHVURJKSA-N 444.431 4.008 5 20 IIBD C[C@H](N[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccc(OCC(=O)NC2CC2)cc1 513785677 RAQRJWZZBAWDOM-GWJPWWOOSA-N 437.540 4.314 5 20 IIBD O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 515115487 VHRNKHCNRFVACF-UHFFFAOYSA-N 433.449 4.347 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1 515848579 LZGSBRKCMDMAAB-UHFFFAOYSA-N 431.514 4.109 5 20 IIBD COc1ccc([C@@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)cc1 516707157 GYHGGMAZXRSORB-QFIPXVFZSA-N 438.459 4.243 5 20 IIBD COCCN1[C@H]2CC[C@H]1CC(N(C)C(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C)C2 516803441 RTPNIQBMDPCNNC-IRXDYDNUSA-N 435.590 4.057 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 519075805 AFCSNEYFODGUNO-MRXNPFEDSA-N 447.495 4.213 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 519890953 XWXJVHAUSDQEIQ-UHFFFAOYSA-N 439.852 4.097 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(-c3nc(-c4cccc(CN5CCOCC5)c4)no3)cs2)c1 521043904 ZYZXGGWICHDGFD-UHFFFAOYSA-N 449.492 4.268 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)s1 521830206 FYBDERBUOCPEEW-UHFFFAOYSA-N 449.554 4.237 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1C[C@@H]1c1cccc(Br)c1 522637021 CNURUEKRDJRPSR-CABCVRRESA-N 439.693 4.452 5 20 IIBD O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1=O)c1cc2cc([N+](=O)[O-])ccc2s1 525038553 HYWFHWPVRPAQCI-OAHLLOKOSA-N 429.885 4.388 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCC1(c2cccc(Br)c2)CC1 535391665 SAERSNMPFWXPQZ-UHFFFAOYSA-N 428.286 4.229 5 20 IIBD COc1cc(C(=O)N2CC[C@H](Oc3cccc(Cl)c3)C2)c([N+](=O)[O-])cc1OC(F)F 535452567 ZCSRMDLMVORGIL-ZDUSSCGKSA-N 442.802 4.152 5 20 IIBD COc1ccccc1[C@H](CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CCCC1 536102277 FSLZJRNPZIXLBR-NRFANRHFSA-N 446.507 4.232 5 20 IIBD COc1ccc(-c2ccc(CNc3ccc(CCS(C)(=O)=O)cc3)o2)c([N+](=O)[O-])c1 536141108 MJTUWVDLNLDRLS-UHFFFAOYSA-N 430.482 4.063 5 20 IIBD CN(CCCn1ccnc1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 537018230 OXJGMPJLGGFKPO-HXUWFJFHSA-N 427.892 4.147 5 20 IIBD CCc1ccc(NC(=O)c2nnc(Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)s2)cc1 537556368 UQMFBOJWGXJGOQ-UHFFFAOYSA-N 434.481 4.173 5 20 IIBD CC1(C)C[C@H](NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C(C)(C)O1 537592565 MLABMFFLFAKTML-KRWDZBQOSA-N 443.466 4.292 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(OC(C)C)c(OC)c2)c([N+](=O)[O-])c1 538150744 KYCQBZBFSSPKRD-LSDHHAIUSA-N 431.489 4.077 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1ccccc1OCc1ccccc1 538231474 PABHCVVKWCXDCD-QGZVFWFLSA-N 435.480 4.472 5 20 IIBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cc(OC(F)F)cc(OC(F)F)c1 539517089 DZFJSDWLSCMDPS-UHFFFAOYSA-N 446.309 4.211 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N1CCN(c2ccccc2)CC1 539790468 WAJLWSGYRPQSTA-SFHVURJKSA-N 442.585 4.036 5 20 IIBD Cn1cc(C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)C2)cn1 541582982 OYBHVUOPQZRLLG-QGZVFWFLSA-N 428.558 4.315 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@H](c2ccc(CC(C)C)cc2)C2CC2)cc1[N+](=O)[O-] 542067810 DLGZCJVCMVLKTO-OAQYLSRUSA-N 425.485 4.008 5 20 IIBD CCOc1ccc(CN(CCCn2ccnc2)C(=O)Nc2ccc([N+](=O)[O-])cc2F)cc1 542710460 PZGIBCHMFPYMLQ-UHFFFAOYSA-N 441.463 4.454 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CCNc1ncnc2cccc([N+](=O)[O-])c12 543436278 GODREVDAXYLJHP-UHFFFAOYSA-N 430.262 4.050 5 20 IIBD COc1cccc(-c2noc([C@@H](C)NCCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)n2)c1 543541308 BSOXCBCXZRBLJB-CQSZACIVSA-N 435.440 4.202 5 20 IIBD CCN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCN(Cc2ccccc2)C1 544849390 NPFNHSFMLCYSKC-FQEVSTJZSA-N 436.537 4.455 5 20 IIBD CC(C)(C)OCCOc1cccc(-c2noc(C(F)(F)c3ccc([N+](=O)[O-])cc3)n2)n1 545113749 KJVWIYTUDTUECV-UHFFFAOYSA-N 434.399 4.374 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@@H](n2cc(Cl)cn2)C1 558563326 WLLMJNLGJOWAEI-GFCCVEGCSA-N 434.827 4.029 5 20 IIBD O=C(NCCC(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1)c1ccc([N+](=O)[O-])cc1 560992730 NOACVZKAVSESPL-UHFFFAOYSA-N 449.429 4.172 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 561698160 ZYQVPNFOUWYGQU-JOCHJYFZSA-N 428.920 4.056 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[C@@H](Oc2ccc(Cl)cc2)C1 571078310 JUISSPCDKSLVKA-LJQANCHMSA-N 429.904 4.145 5 20 IIBD CC(=O)N1C[C@H]2[C@@H](NCc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)CCC[C@H]2C1 572625642 QQTUKZNGANDCNI-WMQCIHAUSA-N 427.476 4.263 5 20 IIBD Cc1c(Br)cc(-c2nc(Cc3cnc4ccccc4n3)no2)cc1[N+](=O)[O-] 574513140 SLOBBKHEAUSZGX-UHFFFAOYSA-N 426.230 4.250 5 20 IIBD CC(C)[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCCO2)CCS1 574535876 YDJHANOQZNANES-OALUTQOASA-N 431.562 4.000 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(F)cc1OC1CCOCC1 578683473 XMFWJRIDSBSPMT-UHFFFAOYSA-N 446.478 4.490 5 20 IIBD Cc1cc(N(C)C)ccc1-c1noc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 584806276 PHGFYWKJQLOLIT-HXUWFJFHSA-N 435.484 4.305 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 590550776 PXNPAGUORJLMIB-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD COC(=O)C[C@H](NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)c1cccs1 603841131 IAHNGIMGYDNFEL-INMHGKMJSA-N 445.541 4.173 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCCN(c4ccccc4)CC3)cc2[N+](=O)[O-])C1 604009018 PUVKIYRKWFROLE-BGYRXZFFSA-N 436.556 4.430 5 20 IIBD CN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@@H]1CCCN(c2ccccc2)C1 604262741 IIUOYRIWSPCUDK-OAQYLSRUSA-N 425.532 4.282 5 20 IIBD CCOc1cc(NC(=O)NCCCc2nc3ccccc3[nH]2)c([N+](=O)[O-])cc1OCC 604537183 WJAFZUWEZLKMMU-UHFFFAOYSA-N 427.461 4.023 5 20 IIBD Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 609202786 ZRYAFDMLTMOXHD-HXUWFJFHSA-N 435.484 4.077 5 20 IIBD O=C(N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1cc([N+](=O)[O-])cc2c1OCCO2 609330901 HRBUTFSNLSNQEJ-HSZRJFAPSA-N 446.459 4.210 5 20 IIBD COC(=O)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)Cc1ccc2ccccc2c1 609793733 MBVWMCOCJXXNGW-IBGZPJMESA-N 440.883 4.092 5 20 IIBD COC[C@@H](C)n1c(C)cc(C(=O)COc2ccc([N+](=O)[O-])cc2Br)c1C 609961708 HQNVQMGQHIPIEJ-GFCCVEGCSA-N 425.279 4.245 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCn2cccc2[C@@H]1c1ccccc1 610038039 YDRDDIHLGFNDMB-IBGZPJMESA-N 426.270 4.404 5 20 IIBD CCOc1cc(C(=O)NCC2(c3ccccc3Br)CC2)c([N+](=O)[O-])cc1OC 610156051 OMYKXXYKJPLZMZ-UHFFFAOYSA-N 449.301 4.226 5 20 IIBD CCOC(=O)c1nc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)c[nH]1 619448099 BZZWOIYJDJKGNF-UHFFFAOYSA-N 443.847 4.012 5 20 IIBD CC(C)[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)Nc1ccccc1F 725985461 KDKLJZGXIJJVKP-MRXNPFEDSA-N 439.237 4.317 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1)c1ccc(F)cc1 728248204 TXTJPPNEWASVSO-UHFFFAOYSA-N 446.394 4.391 5 20 IIBD O=C(C[C@H](c1ccccc1)C(F)(F)F)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 728770394 NSUMQMOKXXKQGK-GOSISDBHSA-N 437.418 4.486 5 20 IIBD O=C(N[C@@H](c1ccc(Cl)cc1)C1CCC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 729657077 IEPKFVZHRIJJLS-OAQYLSRUSA-N 429.904 4.356 5 20 IIBD COc1ccc([C@@H]2NC(=O)N(Cc3ccccc3)C(C)=C2C(=O)OC(C)C)cc1[N+](=O)[O-] 730202535 SCDWMOLFSMBJHD-NRFANRHFSA-N 439.468 4.096 5 20 IIBD C[C@H](NC(=O)COC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 730645389 VUNUSKDNZVYIOL-JTQLQIEISA-N 446.765 4.181 5 20 IIBD COc1ccccc1C[C@@H](C)CC(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 730692423 JJBHJMNVBIYHPE-QGZVFWFLSA-N 427.501 4.027 5 20 IIBD Cc1cc(Br)ccc1C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730703215 LKAVZVDURDICFH-HNNXBMFYSA-N 447.285 4.127 5 20 IIBD C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 731511652 NUUXKVGUXBWILP-BZNIZROVSA-N 439.251 4.018 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1nc(-c2ccc(C)cc2)c(C)s1 731614679 QSLGRACSGAULOZ-UHFFFAOYSA-N 441.465 4.174 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)c(Cl)c1 733250728 IBMMEKDCYKCISV-UHFFFAOYSA-N 441.252 4.285 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Cc1c[nH]c2ccc(F)cc12 734314466 MVQRPPIXNYEHHC-UHFFFAOYSA-N 437.431 4.245 5 20 IIBD Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)OC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 735147576 GNIULVFMWWHJBS-CABCVRRESA-N 434.876 4.135 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Br)c1cccc(Oc2cnccn2)c1 739580575 ZFXJBMSAMIXTQM-UHFFFAOYSA-N 430.214 4.297 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1)c1cnn(C)c1 741573566 CSDNTRCYFMFQOD-GOSISDBHSA-N 447.539 4.278 5 20 IIBD O=C([C@@H]1C[C@@]12CCc1ccccc12)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 743333302 NIQDHTVELHCEEF-SIKLNZKXSA-N 445.441 4.166 5 20 IIBD C[C@H](CC(=O)c1cccc(F)c1)C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 745395243 JOGPPDKRFYAJAA-VXGBXAGGSA-N 436.823 4.167 5 20 IIBD CC(C)[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NCc1ccccc1F 745569735 ZKNHOPJOKBOBHU-QGZVFWFLSA-N 442.365 4.251 5 20 IIBD Cc1ccc([C@H](C)C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)o1 745663679 IUCHXMZGQBVQMV-STQMWFEESA-N 429.454 4.294 5 20 IIBD O=C(N[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1F)c1ccccc1)OCc1ccccc1 746982963 FIZDVISMJKWDJE-NRFANRHFSA-N 438.411 4.445 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 747419845 LCSWRNJCHBAGLN-KBPBESRZSA-N 434.876 4.099 5 20 IIBD CCc1ccc([C@H](C)NC(=O)COC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 747962504 TYEZRTSRZNRHDN-AWEZNQCLSA-N 439.493 4.315 5 20 IIBD Cc1c(C(=O)O[C@H](C)C(=O)Nc2ccccc2C(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748952639 YVRWEYSCJOFKGE-CQSZACIVSA-N 429.429 4.427 5 20 IIBD CCNC(=O)c1ccc(Cl)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Br 751093626 FGCHWKDRXVHFAL-UHFFFAOYSA-N 426.654 4.013 5 20 IIBD CC(C)(C)n1ncc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c1-c1ccccc1 753644469 YLQVTBPXXNPCJZ-UHFFFAOYSA-N 440.431 4.148 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@H]1CCOc2c1ccc(Cl)c2Cl 754064582 KBBCVTRCVFIOAM-LBPRGKRZSA-N 444.658 4.134 5 20 IIBD O=C(OCc1nnc(-c2ccc(Br)o2)o1)c1cc(Cl)ccc1[N+](=O)[O-] 754672771 QRFGYJZLYUUETP-UHFFFAOYSA-N 428.582 4.011 5 20 IIBD COc1ccc(C(F)(F)C(=O)OCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1 756329743 UYNCPBWOQHIRAU-UHFFFAOYSA-N 433.310 4.049 5 20 IIBD Cc1ccc(-c2cncc(C(=O)N(C)S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2)cc1 757873480 BZPNOPZVTQBYNX-UHFFFAOYSA-N 445.884 4.080 5 20 IIBD NC(=O)NCc1ccc(-c2nc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)no2)cc1 761857353 HLKMPPXCPFJEAI-UHFFFAOYSA-N 431.408 4.272 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](CCc2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)C1 762309890 RKSJOOFHHXUGJN-CQSZACIVSA-N 441.488 4.240 5 20 IIBD CC(C)(C(=O)OCC(=O)Cc1ccccc1Br)c1ccc([N+](=O)[O-])cc1F 762996930 FYLFAGILTFSTGN-UHFFFAOYSA-N 438.249 4.129 5 20 IIBD O=C(Nc1ccc(CC[C@H](O)c2ccccc2)cc1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 763012115 LGZGDEFWNVVMCD-QHCPKHFHSA-N 443.463 4.094 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 764089182 XBEGRKBYABYVQB-HUUCEWRRSA-N 437.562 4.472 5 20 IIBD CC(=O)Nc1cccc([C@@H](C)OC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 764591851 GZFGQTQKFUDZMG-LLVKDONJSA-N 426.347 4.412 5 20 IIBD Cc1ccc(Br)c(C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1N 764593639 XPKNVWYYLYPRHG-UHFFFAOYSA-N 432.230 4.260 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC[C@@H]2c2ccco2)ccc1Br 765186637 QSBOGLLLPUFFKF-CQSZACIVSA-N 429.292 4.256 5 20 IIBD C[C@](O)(CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1Cl 765228522 HVVILJZOQGRBLQ-INIZCTEOSA-N 428.670 4.040 5 20 IIBD CC(C)Nc1cccc(F)c1NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 765649462 OCEAQAVCOHLXRQ-UHFFFAOYSA-N 432.271 4.118 5 20 IIBD COc1ccc2c(c1)[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)CCO2 768647237 IBWBOCKMAHDZCH-ZDUSSCGKSA-N 441.665 4.273 5 20 IIBD CC(C)Oc1ccc(Br)cc1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 771150216 JTMHZLTWSZKVHD-UHFFFAOYSA-N 433.255 4.084 5 20 IIBD Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 772031369 AVPASJVJCQLEAD-UHFFFAOYSA-N 433.342 4.352 5 20 IIBD Cc1cccc(-c2nc(C)c(C(=O)OCC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])[nH]2)c1 772103346 NPZILPSPMUVQBB-UHFFFAOYSA-N 428.832 4.051 5 20 IIBD C[C@H](OC[C@@H]1CCCCO1)C(=O)O[C@H](c1ccc(Br)cc1)C(C)(C)[N+](=O)[O-] 774367281 GOUFPDUUVBTDKP-RRQGHBQHSA-N 444.322 4.063 5 20 IIBD C[C@H](CC(=O)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])NC(=O)C1CCCCC1 776131962 GHLQQCVXRLASCI-ZHRRBRCNSA-N 425.485 4.098 5 20 IIBD O=C(O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1ccc(OC[C@@H]2CCCO2)cc1 776136552 KHDYMVJLHHBDGZ-REWPJTCUSA-N 434.448 4.494 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)cc1 776323526 QTJHVFRSYRZYMJ-UHFFFAOYSA-N 442.472 4.031 5 20 IIBD O=C1CCc2cc(-c3csc(NC(=O)C(F)(F)c4ccc([N+](=O)[O-])cc4)n3)ccc2N1 777902999 QXAPAZIYWVBXTC-UHFFFAOYSA-N 444.419 4.334 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 778714332 DTULCBOMMJFKHO-HIFRSBDPSA-N 446.529 4.094 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 780281999 CBGVNJANIZHCDY-KBXCAEBGSA-N 444.509 4.282 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H](NC[C@@H]1CCC=CO1)c1ccccc1 780331958 HQXIQDHLUGNSIX-QFBILLFUSA-N 446.301 4.319 5 20 IIBD CCN(CC)C(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@H]1c1ccc([N+](=O)[O-])s1 782243951 BXUHKIIQVBLNRN-SFHVURJKSA-N 430.555 4.235 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1ccc(N2CCCCCCC2)c(F)c1 782777323 JQOFCQXRBLXFQD-UHFFFAOYSA-N 442.491 4.102 5 20 IIBD COc1cc(C(=O)O[C@@H]2CC(C)(C)OC2(C)C)c([N+](=O)[O-])cc1OCc1cscn1 783160695 CKBGMBVWSSNAGV-QGZVFWFLSA-N 436.486 4.142 5 20 IIBD O=C(OCc1c(F)cccc1[N+](=O)[O-])c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 785418373 TVDITQGOLMWQCV-UHFFFAOYSA-N 448.403 4.031 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@@H](C)c2ccccc2Cl)c(C)c1[N+](=O)[O-] 790828749 CVUHIWBTUZARFR-LBPRGKRZSA-N 427.866 4.155 5 20 IIBD CN(Cc1ccc(Br)cc1Cl)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 791183435 KFWVOIPOHUXHNJ-UHFFFAOYSA-N 437.681 4.019 5 20 IIBD O=C1CC[C@@H](C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c2ccccc21 791235045 OHFQMSMQJJGHFQ-OAHLLOKOSA-N 429.270 4.002 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cn(-c2ccc(Cl)c(Cl)c2)cn1 792283387 VONOFFJTWPCPFT-UHFFFAOYSA-N 437.195 4.353 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1nc(Br)ccc1Br 792525905 ZRNVHEJWNODRCA-UHFFFAOYSA-N 435.459 4.421 5 20 IIBD COc1ccc([C@@H](O)C2CCN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC2)cc1 794460240 XHRMNNRYJQVTBR-LJQANCHMSA-N 439.295 4.496 5 20 IIBD C[C@@H](OC(=O)c1ccccc1[N+](=O)[O-])C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 797109468 FMTMHMZWEZAYTK-SNVBAGLBSA-N 433.392 4.181 5 20 IIBD Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)OCCn1c([N+](=O)[O-])cnc1C 797942689 WHKINEYBNOTOAK-UHFFFAOYSA-N 425.228 4.227 5 20 IIBD C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O 798279916 ODDFTIYGFBGQHD-SNVBAGLBSA-N 436.802 4.251 5 20 IIBD Cc1cc(COC(=O)[C@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] 808714136 NJWGUBOEWDLVAL-SFHVURJKSA-N 432.395 4.136 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c(Cl)cc1Cl 809827613 AYDCMTMVQNVARX-UHFFFAOYSA-N 446.268 4.163 5 20 IIBD CN1CCO[C@@H]([C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)c2ccc(Cl)cc2)C1 809914392 DLEOCALHSUDGFW-SJLPKXTDSA-N 439.299 4.095 5 20 IIBD CC[C@@H]1[C@H](C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCN1C(=O)OC(C)(C)C 810452413 NUGMEVNRJMIVHH-WOJBJXKFSA-N 447.532 4.000 5 20 IIBD O=C1C[C@@H](C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c2ccc(F)cc2N1 811220391 JBYUZGGOCQJXLN-MRXNPFEDSA-N 427.413 4.027 5 20 IIBD C[C@@H](OC(=O)c1ccc2c(c1)CCCCC2=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 811421910 XUNWJPFIIHCLGV-GFCCVEGCSA-N 430.844 4.341 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@H](C)[C@@H](O)c3ccccc3)cc2[N+](=O)[O-])n1 811538926 SYSGOYVKOUWQOR-FZKQIMNGSA-N 429.523 4.363 5 20 IIBD CCOc1ccc([C@H](O)C2CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)CC2)cc1 812668942 MTFPPYGIVYTSLK-QFIPXVFZSA-N 444.503 4.382 5 20 IIBD Cc1nn(C)c(Br)c1C(=O)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] 813203272 FHSQGSIHNIJREX-UHFFFAOYSA-N 445.273 4.231 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1cccc(S(=O)(=O)Cc2ccccc2)c1 813244036 KQQAOOWYPSOETA-UHFFFAOYSA-N 430.869 4.474 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C(=O)Nc1cccc(Cl)c1Cl 814483673 WHCWLPONDONUIW-VIFPVBQESA-N 444.246 4.291 5 20 IIBD Cc1c(CNc2ccccc2N2CCN(CCc3ccncc3)CC2)cccc1[N+](=O)[O-] 864010373 XNTXEASMAXTVEQ-UHFFFAOYSA-N 431.540 4.275 5 20 IIBD CSc1ccc(C(=O)O[C@H](C(=O)N[C@@H]2CCOc3ccccc32)C(C)C)cc1[N+](=O)[O-] 876684382 DEOCJKAFEAGASN-UZLBHIALSA-N 444.509 4.138 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]1c1nc(-c2cccnc2Oc2ccccc2)no1 904456368 CVQLTJPBQXQLBL-MRXNPFEDSA-N 447.407 4.402 5 20 IIBD COc1cccc(-c2noc(-c3cc([N+](=O)[O-])cc(I)c3C)n2)c1 904602758 SMRPIPIHHBTKHC-UHFFFAOYSA-N 437.193 4.233 5 20 IIBD Cc1ccc(-c2nc(CC(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cs2)o1 914966224 FQJIVSFUHQDWPU-NSHDSACASA-N 449.872 4.386 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Oc2ccc3c(c2)CCC(=O)N3)cc1 915144750 TYTDCQCPBJCJBK-UHFFFAOYSA-N 434.404 4.500 5 20 IIBD CC(C)N(C)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)cc1F 918160302 IZEBMXNUAQEYCF-UHFFFAOYSA-N 446.298 4.142 5 20 IIBD C[C@@H](Nc1ccc(N2CCOC2=O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 918197282 JVLWWSXXWAENPD-LLVKDONJSA-N 438.362 4.009 5 20 IIBD O=C(Nc1ccc(CN2CCOC2=O)cc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 918357026 MSXMMKLHFCEWOY-UHFFFAOYSA-N 446.463 4.411 5 20 IIBD O=C(OCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 919088457 YCEWOZXLCDIKAI-GOSISDBHSA-N 437.279 4.292 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1 919205937 ZFGAEEAAEYXJGS-UHFFFAOYSA-N 438.223 4.187 5 20 IIBD Cc1ccc(-n2nc(C)cc2NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 1252222846 YUBXWYASOHIOIY-UHFFFAOYSA-N 435.484 4.473 5 20 IIBD O=C(c1ccc(-c2nc3ccccc3s2)o1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1317999361 OFRPYJYTYXKJTD-UHFFFAOYSA-N 448.504 4.423 5 20 IIBD O=C1Nc2ccccc2[C@@H]1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 1318157899 VIUAGFTUZCRNJX-QHCPKHFHSA-N 448.523 4.173 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCc1coc(-c2ccccc2)n1 1318723951 BPQHLJBIQGUDCV-UHFFFAOYSA-N 442.280 4.078 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@@H](C)c2ccc(F)cc2OC(F)F)c(C)c([N+](=O)[O-])c1 1320855943 NALUEAIHSRRSTG-JTQLQIEISA-N 441.362 4.313 5 20 IIBD C[C@@H]1C[C@@]1(C)C(=O)Nc1ccc(C2(NC(=O)Cc3cc(F)ccc3[N+](=O)[O-])CCC2)cc1 1790427937 WKHRYHBUQBLRQX-IQMFZBJNSA-N 439.487 4.457 5 20 IIBD Cc1cncc(C(=O)NC2(c3ccc(NC(=O)c4cccc(F)c4[N+](=O)[O-])cc3)CCC2)c1 1790698449 SVZCUEUMVFDNSH-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(F)cccc1Cl)c1ccc([N+](=O)[O-])cc1F 1799543184 YISIHZPVNZDZRX-CLLJXQQHSA-N 449.841 4.092 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1)c1cc2ccccc2o1 1818627138 KDMAPWQZKKRIPK-HNNXBMFYSA-N 449.423 4.277 5 20 IIBD CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)[nH]n2)cc1 1820604924 PCEWFSJREQUZTG-QGZVFWFLSA-N 437.456 4.093 5 20 IIBD CCC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(F)c3[N+](=O)[O-])n[nH]2)CCC1 1821169931 MVTGYMJQJOBFBK-KRWDZBQOSA-N 443.479 4.343 5 20 IIBD O=C(c1cccs1)N1CCC([C@@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1823679156 AWNNMYFBRDIHOR-FQEVSTJZSA-N 441.553 4.132 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])N1CC2(CCCN2C(=O)/C=C/C2CCCCC2)C1 1845196783 CRUVVHYLAPVXAE-VAWYXSNFSA-N 443.569 4.027 5 20 IIBD C[C@@H](OC(=O)COc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 11112532 JPDAEMRDBJUHKX-SNVBAGLBSA-N 446.765 4.216 5 20 IIBD Cc1ccc(-c2nc(C)sc2CC(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 11217222 JYZLMUJMABXFAK-CQSZACIVSA-N 439.493 4.448 5 20 IIBD COc1ccc(NC(=O)COC(=O)CSc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 12960598 WBVDBCHCBMIYEQ-UHFFFAOYSA-N 432.498 4.175 5 20 IIBD Cc1ccc2c(COC(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)cc(=O)oc2c1 17158744 FQEMIXOQSJFDJU-UHFFFAOYSA-N 447.447 4.228 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 21840764 ONKUHWSCXIJTIU-FQEVSTJZSA-N 444.896 4.171 5 20 IIBD C[C@H](OC(=O)COc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 24840381 YBIBCQOEFASDRN-NEPJUHHUSA-N 441.267 4.090 5 20 IIBD O=C(NC1CC1)c1ccc(N[C@H]2CCCc3c2cnn3Cc2ccccc2)c([N+](=O)[O-])c1 25578491 LSSLQUHTAAGZDO-FQEVSTJZSA-N 431.496 4.221 5 20 IIBD CCOc1cc(C(=O)Nc2nnc(SCc3ccccc3)s2)c([N+](=O)[O-])cc1OC 26767932 LEBZVGPLEDARFL-UHFFFAOYSA-N 446.510 4.398 5 20 IIBD O=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 27391208 BTBBNROORSUPFW-UHFFFAOYSA-N 436.264 4.462 5 20 IIBD COc1ccc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1NC(C)=O 27995359 PCUUPFYNZTZGFZ-HUUCEWRRSA-N 440.500 4.296 5 20 IIBD C[C@H](C(=O)Nc1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1)n1cccn1 31612251 BWWFOOFBCOLWAO-CYBMUJFWSA-N 435.465 4.458 5 20 IIBD Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 32004722 HSFJLZHVUGUDCG-UHFFFAOYSA-N 443.916 4.038 5 20 IIBD Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 57649202 WZUHIMGOXQEUHQ-UHFFFAOYSA-N 433.468 4.389 5 20 IIBD COc1ccc(COc2cccc(F)c2)cc1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] 63740849 BIKHPORXKWPPTB-UHFFFAOYSA-N 425.416 4.033 5 20 IIBD O=C(Nc1nc2c(s1)C[C@H](c1ccccc1)CC2)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 78721259 MMVJAELAJVOSDW-OAHLLOKOSA-N 446.492 4.157 5 20 IIBD CCC[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C(=O)Nc1cccc(N2CCCC2)c1 110200129 IBVOPEQZCKQOCW-IBGZPJMESA-N 449.511 4.214 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 115064810 DQFLTQZPGFAETH-MRXNPFEDSA-N 449.492 4.216 5 20 IIBD COc1cc(CNCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c([N+](=O)[O-])cc1OC 237254657 DRWZRFJWIKYSRF-UHFFFAOYSA-N 439.443 4.293 5 20 IIBD C[C@H](Nc1ncc([N+](=O)[O-])cc1Br)[C@H](OC1CCOCC1)c1ccccc1 301783703 OPGUTGSSSHWYSH-UGSOOPFHSA-N 436.306 4.490 5 20 IIBD Cc1cnc([C@H](C)CNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])s1 302122488 GVEYEJFGALXNFT-CYBMUJFWSA-N 432.527 4.376 5 20 IIBD COc1ccc(-c2nnc(Sc3ncc([N+](=O)[O-])cc3Cl)[nH]2)cc1Br 302710631 WXJJOZTXMUUOOX-UHFFFAOYSA-N 442.682 4.351 5 20 IIBD Cc1cccc2nc(CNc3ccc([N+](=O)[O-])c(NCc4cn5c(C)cccc5n4)n3)cn12 302751320 HIKRMMXXFDCFHO-UHFFFAOYSA-N 442.483 4.126 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCc2cc(Br)ccc21 303074016 YHCRGCDGHLJCSO-UHFFFAOYSA-N 430.302 4.163 5 20 IIBD CN(C(=O)CN1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1)c1ccc([N+](=O)[O-])cc1 303341313 WEHGXBNNMDWMOQ-GOSISDBHSA-N 442.274 4.077 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(Cc2cc3ccccc3nc2O)CC1 303479628 OIJHLRHNTKGIRE-UHFFFAOYSA-N 432.402 4.190 5 20 IIBD Cc1ccnc(Oc2cc(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)ccc2C)c1 303938313 DKPUDLFAPOJZCT-UHFFFAOYSA-N 430.424 4.232 5 20 IIBD Cc1ccc(CNC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(OCCC(C)C)c1 426053162 VTDXPIINIJWPEA-UHFFFAOYSA-N 429.521 4.071 5 20 IIBD CC(C)(C)Oc1ccc(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cn1 426231499 IRJUJNPRXBUGHB-UHFFFAOYSA-N 426.395 4.185 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1OC1CCCC1)c1cccc([N+](=O)[O-])c1 426658076 VDNSJHBCUYGOIW-ZDUSSCGKSA-N 431.876 4.386 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc(-c2ccc(NC(C)=O)cc2F)cs1 427108863 OZLPLYJFTHQXGA-UHFFFAOYSA-N 430.417 4.077 5 20 IIBD CSc1ccc([C@@H](CC(=O)O)NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 431796052 SAIKMDRFZNCJQC-HXUWFJFHSA-N 446.528 4.209 5 20 IIBD CCN([C@H](c1cccnc1)c1ccc(F)c(F)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C 431917163 UFPHXEFUKJSFOG-NRFANRHFSA-N 447.463 4.377 5 20 IIBD COc1cc(CCNC(=O)Nc2cc(-c3ccco3)nn2C(C)C)c([N+](=O)[O-])cc1OC 433904229 QCGSTEZXOCJOOS-UHFFFAOYSA-N 443.460 4.014 5 20 IIBD CC(C)c1[nH]nc(C(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c1[N+](=O)[O-] 434225443 HSEIDDQOYCVSEZ-KRWDZBQOSA-N 436.447 4.101 5 20 IIBD Cc1c(CNC(=O)N2CCC(Nc3cccc(Br)c3)CC2)cccc1[N+](=O)[O-] 434424315 ZCNFLBSOUOUOCK-UHFFFAOYSA-N 447.333 4.452 5 20 IIBD C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCc2ccccc21 436105524 SXFQLYPAAAPFQT-AWEZNQCLSA-N 433.458 4.141 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 437320975 JELAYKFYVQVKCZ-DLBZAZTESA-N 430.302 4.243 5 20 IIBD COc1ccc(OC(F)F)c(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 437872532 HAPVVPLNDIKERF-UHFFFAOYSA-N 437.399 4.280 5 20 IIBD Cc1cc(NC(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)nn1C 439612953 SUXDAPMRLDDFTM-FOWTUZBSSA-N 433.493 4.816 5 20 IIBD CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 440529396 GWJHLYGHHKCHEM-LJQANCHMSA-N 445.947 4.388 5 20 IIBD Cn1cc(C(=O)NCc2cccc(COCC(F)(F)F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 441744421 XBJPPTYXIBHIHV-UHFFFAOYSA-N 448.401 4.004 5 20 IIBD C[C@H]1CN(CCCCNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C[C@H](C)O1 442684824 SSGHKXGMQLHZJL-ROUUACIJSA-N 443.569 4.365 5 20 IIBD C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444630741 IHZCMQSOSDIKKS-INIZCTEOSA-N 430.464 4.146 5 20 IIBD CN1CCC2(CCN(C(=O)c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)CC2)C1=O 446524788 YVPGMSOXFOABSU-UHFFFAOYSA-N 443.887 4.125 5 20 IIBD Cc1nc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])sc1Cc1ccc(F)c(F)c1F 447181455 DQWJNQMGDNHPIK-UHFFFAOYSA-N 439.419 4.467 5 20 IIBD CCOC(=O)c1cc(CC)sc1NC(=O)c1sc(Br)cc1[N+](=O)[O-] 447202058 KEHPOFKUNFEJLH-UHFFFAOYSA-N 433.305 4.472 5 20 IIBD CC(C)(C)C(=O)NC1CCC(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 447459439 INGXPLWUHGITKB-UHFFFAOYSA-N 430.530 4.378 5 20 IIBD CC(C)c1ncc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)s1 448163357 CUIDVKLXDBFEAM-UHFFFAOYSA-N 428.436 4.156 5 20 IIBD COc1cc(CCNC(=O)Nc2ccc(Cl)cc2OC(F)F)c([N+](=O)[O-])cc1OC 460239780 SWCHQHYMJBNRMA-UHFFFAOYSA-N 445.806 4.231 5 20 IIBD CCN(Cc1nc(O)c2ccccc2n1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)C 460617394 ZKEDSLJSBOPYJG-UHFFFAOYSA-N 447.499 4.185 5 20 IIBD CCn1c(Sc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)nnc1-c1ccccn1 462484511 ACUVLFFYZWQJFD-UHFFFAOYSA-N 434.481 4.393 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl 463970512 LLHSPJCVDNVWDS-LBPRGKRZSA-N 428.272 4.080 5 20 IIBD CCc1cnc(CNC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)s1 464125112 BOBYLDBWMXQILO-UHFFFAOYSA-N 441.534 4.497 5 20 IIBD Cc1cc(C2CC2)nc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)n1 464593954 PAKRFSJVFBEOOU-UHFFFAOYSA-N 433.255 4.315 5 20 IIBD COC[C@H](C)Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 468363133 CRCHMAFBOMIIBE-JTQLQIEISA-N 435.285 4.116 5 20 IIBD O=C(Nc1cc(Br)ccc1NC1CC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 469092922 YQBYEKLWWIIXOD-UHFFFAOYSA-N 442.273 4.370 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(-c3cc4ccccc4o3)s2)cc1C 469223850 QCPBDMAAXHZWJW-UHFFFAOYSA-N 430.467 4.277 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC(=Cc2ccc(F)c(F)c2)CC1 469446770 SMZHKUSBYHBUOF-CQSZACIVSA-N 431.439 4.388 5 20 IIBD Cc1nn(CCC(=O)NCC2(c3c(Cl)cccc3Cl)CCC2)c(C)c1[N+](=O)[O-] 470419095 LUXPBVWNHBANHJ-UHFFFAOYSA-N 425.316 4.343 5 20 IIBD Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4cc(F)cc([N+](=O)[O-])c4)cc3C2=O)c1 470698782 IIUVSRRKRCVUCP-UHFFFAOYSA-N 433.395 4.404 5 20 IIBD CCOC(=O)c1csc(N(C)C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)n1 471101585 MNTJHPNIIAEJIW-UHFFFAOYSA-N 426.454 4.248 5 20 IIBD Cc1ccc(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c(-c2nc(C3CC3)no2)c1 472875197 GQNVHGFAQCBCJJ-UHFFFAOYSA-N 448.483 4.185 5 20 IIBD O=C1CCC[C@H]1[C@H]1COCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 475125504 SPTYQHBPUIAESQ-FUHWJXTLSA-N 449.301 4.187 5 20 IIBD Cc1ccc(I)cc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F 476305227 KAPIMGPNPLXSLR-SNVBAGLBSA-N 428.201 4.389 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 476930195 YXTHEHPDYOKLIL-HNNXBMFYSA-N 448.888 4.214 5 20 IIBD COc1cc(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2F)cc([N+](=O)[O-])c1C 478049145 UWVDHCOMOJSFJK-UHFFFAOYSA-N 439.447 4.288 5 20 IIBD COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1 478639196 YAXKMJWVNQKCNI-UHFFFAOYSA-N 436.420 4.221 5 20 IIBD COc1ccc(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1Oc1ccc(C)nn1 479039642 ABCZEUJWYNMVNM-UHFFFAOYSA-N 437.456 4.201 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 479383995 KYXLHTMRFRUGQG-SNVBAGLBSA-N 432.830 4.086 5 20 IIBD CCn1c(SCC(=O)N[C@@H](C)c2ccccc2Cl)nnc1-c1ccc([N+](=O)[O-])cc1 481346445 NCPHTMRZIWUSRV-ZDUSSCGKSA-N 445.932 4.496 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 484416186 OSDLGXWYCQLLKS-IAGOWNOFSA-N 443.569 4.246 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)c(C)c([N+](=O)[O-])c1 486863766 DOLXZPUDDNYUTL-MRXNPFEDSA-N 431.420 4.253 5 20 IIBD CCc1ccc([C@H](NC(=O)Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)c2cccs2)cc1 487865111 YESNDQSBRXTKIL-QHCPKHFHSA-N 447.516 4.439 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)[C@@H]1CCn2cncc2C1 489194275 GZBZRJKSSOUGSK-CQSZACIVSA-N 444.850 4.255 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 492602260 OVZIFRFCQCFHNP-LBPRGKRZSA-N 436.394 4.258 5 20 IIBD O=c1c(Cl)c(N[C@@H]2CCC[C@H]2OCc2ccccc2)cnn1-c1ccc([N+](=O)[O-])cc1 493742162 ZACKEAQPNVWYRY-UYAOXDASSA-N 440.887 4.344 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])Nc1c(Br)cc(F)cc1Br 493776902 QMFLVOJFHLBEEN-UHFFFAOYSA-N 448.042 4.276 5 20 IIBD COc1cc(C(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)cc([N+](=O)[O-])c1OC 498017493 XQGJDIQAAATLTN-AWEZNQCLSA-N 449.301 4.079 5 20 IIBD Cc1cc(=O)c(C(=O)N(c2ccccc2)C2CCCCC2)nn1-c1ccccc1[N+](=O)[O-] 498085964 XIJUTXZGECUDLF-UHFFFAOYSA-N 432.480 4.429 5 20 IIBD COC(=O)[C@]1(C)CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@H]1C 501298238 NOMOGVWHVWURJK-LRTDBIEQSA-N 432.860 4.312 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCSc2ccc(Cl)cc21 501692845 XIBRVQIQAVGJKS-UHFFFAOYSA-N 433.873 4.075 5 20 IIBD CNC(=O)c1ccc(C)c(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 506201548 CCJHNJNURYIVMY-OAHLLOKOSA-N 433.468 4.083 5 20 IIBD COc1cc(C(=O)NC2CCC(C(=O)O)CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 507308443 CRVYDQHMOZLGBX-UHFFFAOYSA-N 448.859 4.422 5 20 IIBD COc1cc(C(=O)N2CC(C)(C)O[C@@]3(C[C@@H]4CC[C@H]3C4)C2)c([N+](=O)[O-])cc1OC(F)F 507728381 UKRHNXIDDARELT-BHVCSQLQSA-N 440.443 4.015 5 20 IIBD CN(C)C(=O)c1cc(=NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)cc[nH]1 508459912 ZBEXCBRVOZDFMW-UHFFFAOYSA-N 426.860 4.171 5 20 IIBD COc1ccc(COCc2cccc(NS(=O)(=O)c3ccc(C)cc3[N+](=O)[O-])c2)cc1 509595951 LNWNRQXPYHOJFM-UHFFFAOYSA-N 442.493 4.429 5 20 IIBD Cc1ccc(-c2cncc(F)c2)cc1NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 513043668 FWOOBTGUMISFMY-UHFFFAOYSA-N 448.410 4.010 5 20 IIBD COc1ccccc1CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H]1CCCO1 514117168 RSQKHLUWRGHNOO-NRFANRHFSA-N 437.496 4.482 5 20 IIBD O=C(Nc1cncc(Cl)c1Br)c1ccc([N+](=O)[O-])cc1Br 515537367 YIQSAPSYCXHMCJ-UHFFFAOYSA-N 435.459 4.421 5 20 IIBD O=C(c1ccc(Cl)cc1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)N1CCCC1 515658844 SFUGBHKCCFSSSG-UHFFFAOYSA-N 427.848 4.146 5 20 IIBD COC(=O)c1ccc(CN(C)C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc1 516101047 LVWBUJPVAVTNCU-IRXDYDNUSA-N 439.512 4.136 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NCCCCNc3ccccn3)cc2[N+](=O)[O-])C1 517581414 OQTGRUGSEGFDAL-HDICACEKSA-N 425.533 4.094 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 520919627 VHWQFSVCDAGMER-UHFFFAOYSA-N 438.311 4.305 5 20 IIBD CCCn1c(C)cc(C(=O)CSCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c1C 522672893 GTAYRAQZXJKGNY-UHFFFAOYSA-N 431.514 4.337 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(OCC2CCOCC2)cc1 522952895 ARVNPUFWHZGYTH-CQSZACIVSA-N 434.876 4.460 5 20 IIBD COc1ccc(CN2CC[C@H](Nc3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])C2=O)cc1 523752311 UCZCLZXSHMDGGM-QFIPXVFZSA-N 445.475 4.047 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@H]1CCOc2ccc(F)cc21 527334004 OGECDMYQBVHFNE-ZDUSSCGKSA-N 430.379 4.485 5 20 IIBD Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 534436100 NNDXMIDTDGURQJ-CQSZACIVSA-N 446.529 4.391 5 20 IIBD CCCN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCN(C(=O)c2ccccc2)CC1 534695748 IPTDSGJZRJPAAS-UHFFFAOYSA-N 448.523 4.162 5 20 IIBD CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 534832426 QVYTXKBIINYWRS-LBPRGKRZSA-N 434.290 4.297 5 20 IIBD C[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1nc(-c2ccccc2)no1 534836350 LLQXYPIKWYQRDU-QGZVFWFLSA-N 438.487 4.125 5 20 IIBD C[C@@H](SCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1nc(N)nc(=Nc2ccccc2)[nH]1 535509250 YDGDIZJYDYXINU-CYBMUJFWSA-N 449.496 4.177 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCC3(c4ccc(F)cc4F)CC3)cc2)c(C)c1[N+](=O)[O-] 536444925 NXPFSQDAWZQWGP-UHFFFAOYSA-N 440.450 4.196 5 20 IIBD CC1(C)CN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)c2ccccc2O1 536582096 UZSUQDHSUXEVCS-UHFFFAOYSA-N 438.221 4.017 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C3)cs1 537934531 RDAQEXWZKOZZDJ-UHFFFAOYSA-N 428.539 4.109 5 20 IIBD COc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 539229821 QWEGKRLIUUZVPT-KGLIPLIRSA-N 426.498 4.405 5 20 IIBD Cc1ccc(C(=O)N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)CC2)s1 539337539 BWQYCZOOSCNNLV-UHFFFAOYSA-N 433.555 4.063 5 20 IIBD Cc1c([N+](=O)[O-])cnc(NCc2cccc(C(=O)NCc3ccco3)c2)c1Br 541591581 OEDYWEIQGWFRSK-UHFFFAOYSA-N 445.273 4.196 5 20 IIBD COc1cc(CSc2nncn2-c2ccccc2F)c([N+](=O)[O-])cc1OCC(F)F 542788766 WXRUFKLXTCNNBV-UHFFFAOYSA-N 440.403 4.259 5 20 IIBD COC(=O)COc1ccc(N(C)C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1 543213611 OZKYRRNRHXRELQ-UHFFFAOYSA-N 449.463 4.035 5 20 IIBD O=[N+]([O-])c1cccc(CCc2nc(CS(=O)(=O)c3cc(Cl)ccc3Cl)no2)c1 544907280 ZLZOHDQJWRREHS-UHFFFAOYSA-N 442.280 4.044 5 20 IIBD Cc1nc(COc2ccc(F)cc2)sc1-c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 544930503 BOGFYOYEKQTFAP-UHFFFAOYSA-N 427.417 4.377 5 20 IIBD COc1cc(Cc2noc(-c3nn(-c4ccc(F)cc4)c4c3CCC4)n2)ccc1[N+](=O)[O-] 545046243 BVCXJTHZMQFGAM-UHFFFAOYSA-N 435.415 4.058 5 20 IIBD Cc1cc(Cc2noc(Cc3ccccc3I)n2)ccc1[N+](=O)[O-] 545076769 HTZIYLCAYPOBLK-UHFFFAOYSA-N 435.221 4.072 5 20 IIBD COc1cc(Cc2noc(Cc3cccc([N+](=O)[O-])c3C)n2)ccc1OCC(F)(F)F 545649144 OPRABCMJGGSDED-UHFFFAOYSA-N 437.374 4.418 5 20 IIBD CCOC(=O)c1cc(-c2nc(-c3ccc(NC(=O)NC(C)C)cc3)no2)cc([N+](=O)[O-])c1 547122453 QWOOBJWYVOXPAL-UHFFFAOYSA-N 439.428 4.018 5 20 IIBD COc1ccc([C@H](CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)N2CCCCC2)cc1 549454793 QVVXETQIMGZHND-QHCPKHFHSA-N 440.544 4.015 5 20 IIBD CC[C@@H](C(=O)N1CCC(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 549964141 MADYPYNZDAFRGT-HXUWFJFHSA-N 437.540 4.173 5 20 IIBD CC(C)(C)[C@H](NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(F)cc1 550828118 XHYBATUSMUMLIK-HXUWFJFHSA-N 427.476 4.129 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(OCC(F)(F)F)cc2)cc1OC 552590923 BBALPHSASJKVEY-UHFFFAOYSA-N 442.390 4.215 5 20 IIBD O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CCCN(CCCc2ccccc2)CC1 557041730 FEVLIIYBGZJDJT-UHFFFAOYSA-N 444.535 4.438 5 20 IIBD O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CCC[C@H](c2ccccc2)C1 562122341 WWGCPNRCAREZKU-AWEZNQCLSA-N 436.249 4.219 5 20 IIBD C/C=C/c1ccc(OC[C@@H](O)COc2c(Br)cccc2[N+](=O)[O-])c(OC)c1 564579217 HYTUJCODJXMKQC-LYKUJDHUSA-N 438.274 4.218 5 20 IIBD COc1cc(CCO)ccc1NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 565414300 OXIJVHZXCIMNMF-UHFFFAOYSA-N 445.522 4.307 5 20 IIBD C[C@@H](Sc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C)c1nc2ccccc2n1C(F)F 565788697 KJSVUYHWUZPSFA-SNVBAGLBSA-N 431.424 4.440 5 20 IIBD COc1cc(C(=O)Nc2ccc3c(c2)N(C(=O)Cc2ccccc2)CC3)cc([N+](=O)[O-])c1C 569401981 MLTLFJUKSIMOGM-UHFFFAOYSA-N 445.475 4.296 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(CNc3ccc(C(F)(F)F)c([N+](=O)[O-])c3)cc2)C[C@H](C)O1 589110351 LJPVHZAMWQEYJF-KBPBESRZSA-N 437.418 4.475 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCN(C(=O)c2cccc3ccccc23)CC1 603736481 LECPGUQJVJDQIL-UHFFFAOYSA-N 429.432 4.092 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)cc1 604099548 QQJMRPUZKGFFPV-IBGZPJMESA-N 438.440 4.024 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)CCCc1cc(-c2ccc(F)cc2)no1 608780246 QIGLWISCXKGKLU-UHFFFAOYSA-N 426.448 4.200 5 20 IIBD COc1cc(C(=O)Nc2ccc(SC)nc2)c([N+](=O)[O-])cc1OCc1cscn1 608901421 YORMRBQQOLMJPR-UHFFFAOYSA-N 432.483 4.008 5 20 IIBD O=C(N[C@H]1CCc2c(O)cccc21)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 609091904 DZBMMYDJMUJYJO-KRWDZBQOSA-N 449.429 4.339 5 20 IIBD C[C@H](NC(=O)CCC[S@@](=O)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 609547477 GTQZWLUPCBWFDF-WHDAMIPWSA-N 439.331 4.123 5 20 IIBD O=C(NCC(=O)N1CCc2ccccc21)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609773712 BMBAVQRQKSOGIV-UHFFFAOYSA-N 432.436 4.098 5 20 IIBD O=C(c1cc(Cl)ccc1I)N1CCCc2ccc([N+](=O)[O-])cc21 609859837 XEERADNFPBUSFH-UHFFFAOYSA-N 442.640 4.446 5 20 IIBD CCOC(=O)c1ccnc(NCc2ccc(Cn3cnc4ccccc43)cc2)c1[N+](=O)[O-] 609961644 DEZZHSUUYIKWKS-UHFFFAOYSA-N 431.452 4.177 5 20 IIBD CCOc1ccccc1[C@@H](CC)NC(=O)COc1ccc([N+](=O)[O-])cc1Br 609962521 KUQMMWNINSXASD-MRXNPFEDSA-N 437.290 4.402 5 20 IIBD COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 609977914 CSEGUJIVKHUABO-QGZVFWFLSA-N 443.891 4.355 5 20 IIBD Cc1ccc(-c2csc3nc(SCCn4cc([N+](=O)[O-])cn4)n(C)c(=O)c23)cc1C 610207679 RDKMHTNFBUDGEM-UHFFFAOYSA-N 441.538 4.176 5 20 IIBD O=C(CCn1cc(Br)cn1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 610365334 TXNNHKAXVJMFRF-UHFFFAOYSA-N 429.274 4.177 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCc2sc(Br)cc2C1 610935141 ZXFYLMXHDFOJCM-UHFFFAOYSA-N 436.331 4.218 5 20 IIBD O=C(N=c1cc[nH]cc1)c1ccc(CNC(=O)c2cc3ccccc3c3cccnc23)cc1 620873374 HTXZFYKTWJTIIT-UHFFFAOYSA-N 432.483 4.387 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCC[C@H](C[C@@H]2CCOC2)C1 672929761 RVHFDASKYILAAK-CABCVRRESA-N 426.463 4.238 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCCN(C(=O)Oc3ccccc3)CC2)cc1[N+](=O)[O-] 725757926 VIXZFXSHABUSNJ-UHFFFAOYSA-N 425.485 4.239 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)c1ccc2c(c1)CC(=O)N2C 728254404 QTCHWWYYCNUQEP-MRXNPFEDSA-N 444.491 4.217 5 20 IIBD CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c1 728259133 CGGKMTAMQLECMB-XFXZXTDPSA-N 427.457 4.150 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)cc1SC 728651262 RHNIVFQSVZGAFN-UHFFFAOYSA-N 445.280 4.428 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@@]2(O)CCCc3ccccc32)cc1[N+](=O)[O-])c1ccccn1 731369395 FBOPZOBMSVBAPM-GKVSMKOHSA-N 446.507 4.117 5 20 IIBD C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)Sc1ccc(Br)cc1 731654865 WUBGSLJCYMEKDW-JTQLQIEISA-N 440.275 4.176 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCC[C@H](N4CCCCC4=O)C3)c([N+](=O)[O-])c2)cc1 732805922 SLKUBIGEHQKSRK-FQEVSTJZSA-N 436.512 4.137 5 20 IIBD Cc1nc2c(s1)[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1I)CCC2 733066400 GDKDTMSTLGNIMQ-ZDUSSCGKSA-N 444.250 4.199 5 20 IIBD Cc1cc(C2=N/C(=C/c3csc(-c4cccc([N+](=O)[O-])c4)n3)C(=O)O2)ccc1[N+](=O)[O-] 733085217 DHTIKVXGKUMGMF-CXUHLZMHSA-N 436.405 4.279 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)cc1[N+](=O)[O-] 734400852 JFEGGUVBYDGMHS-HKBQPEDESA-N 439.449 4.372 5 20 IIBD Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)OCc3cc([N+](=O)[O-])ccc3Cl)C2)c1 734779939 MJDUQQFLVVXJPP-INIZCTEOSA-N 430.888 4.461 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(-n2cnc3ccccc32)nc1 734996899 WEQNUMIFNBXYLI-UHFFFAOYSA-N 437.843 4.390 5 20 IIBD Cc1cc(F)ccc1-c1ccc(C(=O)OCc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1F 735362752 LCDJHHBDLRVNKK-UHFFFAOYSA-N 426.375 4.304 5 20 IIBD C[C@H](OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(=O)N(C)Cc1c(F)cccc1Cl 736866822 PGFPBKPPFQQIFR-JTQLQIEISA-N 429.231 4.245 5 20 IIBD COc1cc(CNCc2nc3c(s2)CCCC3)c([N+](=O)[O-])cc1OCC(F)(F)F 741160313 OVPIFILSORWOIY-UHFFFAOYSA-N 431.436 4.170 5 20 IIBD Cc1c(C(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 742944073 HONWGYJZRJROHV-JTQLQIEISA-N 431.792 4.006 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccncc2Cl)c2ccccc2)c([N+](=O)[O-])c1 745770882 BKEZGKMRLACWRA-IBGZPJMESA-N 425.828 4.488 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCc1cn(-c2ccccc2)nc1-c1ccncc1 747140478 TTXBJWDOHQPIKF-FLIBITNWSA-N 425.448 4.172 5 20 IIBD Cc1c(C(=O)N2CCCC[C@@H]2c2nc3ccccc3n2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748625567 FYZBYIZUHANRPP-GOSISDBHSA-N 437.456 4.374 5 20 IIBD C[C@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)c2ccccc2N(Cc2ccccc2)C1=O 750110263 ZVXMAHIWPFHUHK-UUOWRZLLSA-N 431.492 4.318 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)OC(=O)c1cccc(Cl)c1[N+](=O)[O-] 750535951 RXZSYDQXJOUPPH-CQSZACIVSA-N 442.859 4.235 5 20 IIBD CCc1cc(O)nc(-c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3Br)c2)n1 750599843 UETFVUGYHDGONS-UHFFFAOYSA-N 443.257 4.335 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])O[C@H](C(=O)NC1CC1)c1ccc(F)cc1 751636048 RWDZSKOVTDRAHN-SFHVURJKSA-N 438.864 4.043 5 20 IIBD CC(C)(C)OC(=O)N1CCc2c(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)cccc21 753777803 WRFZGAKRKUEQSC-UHFFFAOYSA-N 449.467 4.330 5 20 IIBD COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)c1cccc([N+](=O)[O-])c1Br 753811405 XNDJKXRVDHWXMV-HNNXBMFYSA-N 449.301 4.187 5 20 IIBD Cc1c(C(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 754717779 YYABDBHXMLBYKG-QFBILLFUSA-N 431.420 4.251 5 20 IIBD CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@@H]1CCCN(c2ccccc2)C1 754979001 WHVFIUOAWVOXGA-OAHLLOKOSA-N 436.281 4.237 5 20 IIBD CCOc1cc(COC(=O)c2cc(O)nc3c(Br)cccc23)ccc1[N+](=O)[O-] 755544416 LTUGNCMCOBOIHS-UHFFFAOYSA-N 447.241 4.367 5 20 IIBD Cc1nnc(-c2ccc(C(=O)OCCOc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)cc2)o1 755630297 SXJHBZJKHJTOAK-UHFFFAOYSA-N 437.330 4.208 5 20 IIBD Cc1c(C(=O)Nc2cnn(-c3ccccc3Br)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 756139459 LKYHYWKKFZLJSP-UHFFFAOYSA-N 446.217 4.012 5 20 IIBD O=C(C[C@@H]1CCCCO1)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 756504227 NQGAFIZJIWVRRT-JXFKEZNVSA-N 432.860 4.430 5 20 IIBD C/C(=C/c1ccccc1Cl)C(=O)N(C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 756514811 IQNLSBBOAKPHQY-LUAWRHEFSA-N 429.281 4.152 5 20 IIBD O=C(COC(=O)c1c(F)cc(Br)cc1F)Nc1cc(Cl)ccc1[N+](=O)[O-] 756603883 NLUPBPLVEGEJDU-UHFFFAOYSA-N 449.591 4.084 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)ccc1[N+](=O)[O-] 756783641 ZMCZPBUYNTVSFN-JWNTYJGQSA-N 448.523 4.135 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N(Cc1ccccc1)C[C@H](O)c1ccsc1 757080609 OAUBJUSAUHNZJT-NRFANRHFSA-N 449.488 4.286 5 20 IIBD CCOc1cc(NC(=O)NC[C@H](O)c2cc3ccccc3s2)c([N+](=O)[O-])cc1OCC 758213449 BXFSBSMVTSNTLU-INIZCTEOSA-N 445.497 4.462 5 20 IIBD O=C(NCCc1ccccc1OC(F)(F)F)c1cccc([N+](=O)[O-])c1Br 758663080 VLSAUCYUGIDCJM-UHFFFAOYSA-N 433.180 4.228 5 20 IIBD C[C@H](OC(=O)c1ccc(C(=O)Nc2ccccc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 758676310 XROGQKMIURFCBF-HNNXBMFYSA-N 433.420 4.031 5 20 IIBD CCC(=O)c1ccc(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cc1 760398489 MBMHLKWYRIJKJU-HXUWFJFHSA-N 438.480 4.429 5 20 IIBD C[C@@H](C[C@H](O)c1ccccc1)NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 762687025 OHRLTCNAJDTXKN-SGTLLEGYSA-N 449.294 4.329 5 20 IIBD CN(C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1nc2cc(Cl)ccc2s1 766963895 UFVWBHDRWRSDDH-JTQLQIEISA-N 448.863 4.013 5 20 IIBD Cn1cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)cn1 767743969 VNYNECDNUBHKHN-UHFFFAOYSA-N 431.857 4.173 5 20 IIBD CN(C)C(=O)c1ccc(C(=O)O[C@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])cc1 774374359 JIYMLXMUKTWAKT-QGZVFWFLSA-N 449.301 4.104 5 20 IIBD CC(C)COC(=O)N1CCC(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)CC1 775496089 RHAMMSDDGSMHGY-UHFFFAOYSA-N 446.529 4.186 5 20 IIBD CC(C)CN(C(=O)c1cc([N+](=O)[O-])cn1C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 775496093 RMNQWLLAWSAYEU-UHFFFAOYSA-N 429.458 4.268 5 20 IIBD CSc1cccc(C(=O)OCC(=O)N(Cc2ccccc2)CC(F)(F)F)c1[N+](=O)[O-] 777074491 UXNAJUGUMAWOIB-UHFFFAOYSA-N 442.415 4.065 5 20 IIBD Cc1ncsc1/C=C/C(=O)O[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 777100609 BMXQIUIXONYPJT-NNNHXZLVSA-N 444.494 4.067 5 20 IIBD O=[N+]([O-])c1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)cc1Cl 777687284 MBNASOBSQMWOHZ-LLVKDONJSA-N 447.296 4.118 5 20 IIBD COc1cc(COC(=O)Cc2c[nH]c3c(C)cccc23)c([N+](=O)[O-])cc1OCC(F)F 780068371 PYJQOVREJRODPQ-UHFFFAOYSA-N 434.395 4.323 5 20 IIBD COc1cc(COC(=O)[C@@H](c2cccc(Cl)c2)N(C)C)c([N+](=O)[O-])cc1OC(F)F 780103323 DHQZDTKBSGYMAZ-QGZVFWFLSA-N 444.818 4.204 5 20 IIBD O=C(OCc1noc(-c2ccc(F)cc2F)n1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 781184757 APHDWKPNTQYPHJ-UHFFFAOYSA-N 429.257 4.299 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CC(OCc2cccc3ccccc23)C1 781994035 IUWWIKMZOPAOOM-UHFFFAOYSA-N 435.436 4.016 5 20 IIBD COc1ccc(CC(=O)OCc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)cc1[N+](=O)[O-] 783170560 LTCMVYJRJNHJBH-UHFFFAOYSA-N 442.468 4.140 5 20 IIBD C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 783319114 KGVVGBWKDQXKDL-VIFPVBQESA-N 430.675 4.241 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N(CC2CC2)C2CCCCC2)cc1[N+](=O)[O-] 784269153 DNMYSCLCSXTDEE-UHFFFAOYSA-N 438.322 4.176 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)c1F 790274675 SXZOPLNSVOBPGD-UHFFFAOYSA-N 425.391 4.364 5 20 IIBD O=C(NC[C@@H]1CCCC(F)(F)C1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 790855621 ZHHBQAFZKQUHII-LLVKDONJSA-N 432.265 4.251 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2Br)c(Cl)cc1Cl 791430515 BHZFXKNQTBHHGN-UHFFFAOYSA-N 426.075 4.465 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)cc([N+](=O)[O-])c1C 791692420 DJZQUVWBEAJYAG-AWEZNQCLSA-N 447.513 4.280 5 20 IIBD Cc1cc(OCC(=O)OCc2nc(-c3cccc(C(F)(F)F)c3)no2)ccc1[N+](=O)[O-] 797494525 WMCDBGRZOFVCAJ-UHFFFAOYSA-N 437.330 4.094 5 20 IIBD CCn1cc(C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c(C(F)(F)F)n1 797801286 FXOICGMCCFSOIU-UHFFFAOYSA-N 448.357 4.302 5 20 IIBD CC(C)N(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(CC(=O)N(C)C)cc1 799450894 QJRHNEJQZPQQCR-UHFFFAOYSA-N 437.418 4.300 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(OCC(F)(F)F)c(Cl)c1 800131940 WUKSUXJMCFCRGS-UHFFFAOYSA-N 428.754 4.178 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCCC(=O)OC2CCCCC2)cc1[N+](=O)[O-])c1ccccn1 801081941 UXOZUUUXYHDOGX-MRXNPFEDSA-N 440.500 4.159 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 801091237 RDXFHVKMASQMOE-HXUWFJFHSA-N 427.501 4.252 5 20 IIBD CC[C@@H](C)c1nnc(N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)n1CC 801996686 FEQCHTURGAIOJU-CYBMUJFWSA-N 426.443 4.065 5 20 IIBD O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 803536698 OAQNCXMDTSZQHS-OAQYLSRUSA-N 444.329 4.096 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N(Cc1ccccc1)C[C@H](O)c1ccccc1 804412377 PHECMOFFFZCCIC-DEOSSOPVSA-N 442.475 4.157 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F 807950776 WREUQEQPDVMXEJ-CQSZACIVSA-N 426.317 4.000 5 20 IIBD CC(C)(C)OC(=O)N1CCC(c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3N)n2)CC1 808245162 VVHBQBOTNYPTSL-UHFFFAOYSA-N 447.517 4.000 5 20 IIBD CC[C@H](OC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(=O)Nc1ccc(OC)cc1 811373239 UCGHXZWTFFAVJK-HNNXBMFYSA-N 427.240 4.484 5 20 IIBD Cc1c(C(=O)OCC(=O)c2ccc(C(F)(F)F)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 812581855 JLQJIMDIZCULJM-UHFFFAOYSA-N 426.303 4.178 5 20 IIBD Cc1cc(CCNC(=O)c2cc([N+](=O)[O-])ccc2I)ccc1Cl 812583017 YWNKLEOKIZJGJP-UHFFFAOYSA-N 444.656 4.134 5 20 IIBD CCCC1=C(C(=O)OCC)[C@H](c2ccc([N+](=O)[O-])o2)NC(=O)N1CCc1cccs1 812958959 WFZSSHCCWNQBSO-SFHVURJKSA-N 433.486 4.176 5 20 IIBD C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)cc1 897462739 UDZUUCWMAUZQMR-ZIAGYGMSSA-N 447.438 4.294 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1nc(-c2ccccc2)n2c1CCCCC2 914916783 XNHGAVPIXZXZNT-UHFFFAOYSA-N 448.479 4.289 5 20 IIBD C[C@H](OC(=O)/C=C/c1ccccc1OC(F)(F)F)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 914941222 LVDJDMDMOVJTHE-LAHYYIKRSA-N 442.321 4.216 5 20 IIBD O=C(c1cccnc1Cl)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 916420035 ZZKGBPOZYSNFIZ-UHFFFAOYSA-N 442.928 4.330 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2F)cc1)c1cccc([N+](=O)[O-])c1 917426288 HFWIOGPCWZKHAW-UHFFFAOYSA-N 425.328 4.114 5 20 IIBD C[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1cc2c(cc1Br)OCCO2 917788341 YUWOYNXMACNHPF-RPTYSRGTSA-N 433.258 4.019 5 20 IIBD CC(C)(C)c1ccc(N2CCC(NC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)CC2)cc1 919768123 VFRKYNLYUWVFEU-UHFFFAOYSA-N 447.539 4.477 5 20 IIBD CC(C)OCc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)cc1 919961783 QSSNNUZZYABJLY-UHFFFAOYSA-N 429.292 4.083 5 20 IIBD CCC(=O)Nc1cccc(C(=O)OCCOc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 920147169 QTEOKKOEORJSHR-UHFFFAOYSA-N 426.347 4.198 5 20 IIBD Cc1cc(C)cc([C@@H](OC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C(F)(F)F)c1 920278467 FRIXNFIOARSFRV-MRXNPFEDSA-N 431.388 4.076 5 20 IIBD C[C@H](C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 1318796078 YBTVKERPOACHHD-YWZLYKJASA-N 425.485 4.339 5 20 IIBD CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1I)c1ccc(F)cc1 1320322195 SJNQZQSDBJDXEB-HNNXBMFYSA-N 428.201 4.220 5 20 IIBD O=C(Nc1cccc(CS(=O)(=O)c2ccccc2)c1)N1Cc2ccc([N+](=O)[O-])cc2C1 1323254536 AXUBMOQCCAEGEB-UHFFFAOYSA-N 437.477 4.116 5 20 IIBD COc1ccc(NC(=O)N2CCCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c([N+](=O)[O-])c1 1347510856 SSLSRBLUFLXUPQ-UHFFFAOYSA-N 448.520 4.248 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccoc4)CCC3)cc2)ncc1[N+](=O)[O-] 1788765015 NKNMFIZLMSTKCQ-FPYGCLRLSA-N 446.463 4.352 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c4c3OCO4)cc2)CCC1)C1=CCCC1 1790094766 BPYQECRKOLFDEU-UHFFFAOYSA-N 449.463 4.182 5 20 IIBD CCC(=O)C(=O)Nc1ccc(C2(NC(=O)C3(c4cccc([N+](=O)[O-])c4)CCC3)CCC2)cc1 1791236454 WDHYLBMQZFOITN-UHFFFAOYSA-N 449.507 4.130 5 20 IIBD CCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1C)CC2 1812593367 FYCDFTVXTWQRBL-LBPRGKRZSA-N 436.921 4.039 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)[nH]n1)[C@@H]1CC=CCC1 1814792337 BRKQGAHLPLDWFX-AUUYWEPGSA-N 441.463 4.119 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC([C@@H]2CCCCN2C(=O)c2cccs2)CC1 1825777823 KEPPGTCSGQVXFT-IBGZPJMESA-N 445.516 4.343 5 20 IIBD CC(C)=CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)c([N+](=O)[O-])cn2)CC1 1827829338 FXDWIDPAFCLBJX-NRFANRHFSA-N 442.560 4.278 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)CC1CCC(C)(C)CC1)C2 1845542109 NRZUJBMQESXLQJ-UHFFFAOYSA-N 443.544 4.032 5 20 IIBD CS(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cc1 14727214 JFKBICIVMAJQML-UHFFFAOYSA-N 428.491 4.402 5 20 IIBD Cc1c(NC(=O)[C@H](C)Sc2nc3ccccc3c(=O)n2C(C)C)cccc1[N+](=O)[O-] 23539685 ZMQYPRUXVGGDLN-AWEZNQCLSA-N 426.498 4.313 5 20 IIBD COc1cc(C(=O)N[C@H]2CCSc3ccc(F)cc32)c([N+](=O)[O-])cc1OC(F)F 25994004 LAZKYUZUIAHGGF-LBPRGKRZSA-N 428.388 4.311 5 20 IIBD Cc1c(NC(=O)CCN(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] 26225619 BAGNVFCUDWDQKA-UHFFFAOYSA-N 439.299 4.109 5 20 IIBD CCCc1nnc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)s1 26836386 GZSPUBMIKJQHEY-UHFFFAOYSA-N 448.508 4.433 5 20 IIBD Cc1ccc(S(=O)(=O)N(Cc2cccc(Br)c2)C2CC2)cc1[N+](=O)[O-] 26836970 WPNYEDBHBUHTEN-UHFFFAOYSA-N 425.304 4.019 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(C(=O)N(CC)CC)c(Cl)c2)c([N+](=O)[O-])cc1OC 27393877 ADOIQGOTXKYKNM-UHFFFAOYSA-N 449.891 4.390 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 28493793 WNXBQQXSCSFCAP-UHFFFAOYSA-N 425.432 4.055 5 20 IIBD COc1cc(C(=O)NCc2ccc(CN3CCc4ccccc43)cc2)c([N+](=O)[O-])cc1OC 58774749 RMYPCAGLJNGEHA-UHFFFAOYSA-N 447.491 4.105 5 20 IIBD CC1CCN(c2ccc(NC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)cc2)CC1 61224004 PGQWCRUBMPDTRM-UHFFFAOYSA-N 438.484 4.158 5 20 IIBD CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] 72045830 OUOMLBULFNUPCX-UHFFFAOYSA-N 429.826 4.471 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1cccc(CN2CCCC2)c1)c1ccccc1[N+](=O)[O-] 108965424 KVKWSBQFMBXIAA-NRFANRHFSA-N 439.512 4.003 5 20 IIBD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)ccc21 109781673 MPBCWDQNXHFLHW-UHFFFAOYSA-N 433.468 4.152 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NCCOC1CCCC1 195572136 NPFMEVGTRCTTPB-UHFFFAOYSA-N 434.496 4.065 5 20 IIBD O=[N+]([O-])c1cnc(N2CCC(c3nc(-c4ccccc4)no3)CC2)c(Br)c1 301507361 BURNPICMDVMVFI-UHFFFAOYSA-N 430.262 4.186 5 20 IIBD C[C@@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])c1noc(-c2ccccc2)n1 301678539 UBXUNZSLRPWSLO-SNVBAGLBSA-N 442.375 4.111 5 20 IIBD COc1cc(Br)c(CNc2c(Br)cncc2[N+](=O)[O-])cc1OC 301902216 WFBVZDIDUWHYFG-UHFFFAOYSA-N 447.083 4.144 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1Oc1ccc(F)c(Br)c1 302029035 RJSOIKAUBHUBDO-UHFFFAOYSA-N 426.166 4.285 5 20 IIBD O=C(c1ccc(F)cc1)C1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 302865634 UNGXPIBKJBDDDV-UHFFFAOYSA-N 425.460 4.069 5 20 IIBD COc1ccc([C@@H](NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)c2ccccc2Cl)cc1 409663622 JYSPRGZRFXOYFU-OAQYLSRUSA-N 442.903 4.366 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Nc1cc(F)c(Br)cc1Cl 410399649 FLEGXDRFOSAYFM-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD C[C@H]1CN(CCC2CCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC2)C[C@H](C)O1 426800766 OWNQIUKPMDNSQH-OALUTQOASA-N 442.560 4.004 5 20 IIBD Cn1ccnc1CC1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 427040652 KMCKWKZVBYCDPN-UHFFFAOYSA-N 434.496 4.002 5 20 IIBD Cc1c(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)nnn1-c1ccc(OC(C)C)cc1 427577418 AVCHDFYTCIROBA-UHFFFAOYSA-N 435.484 4.076 5 20 IIBD Cc1ccc([C@@H](C)N(C)C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c(C)c1 430314369 YETHPNLMMSXFBG-CQSZACIVSA-N 448.317 4.441 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2c3ccccc3S[C@H](C)[C@H]2C)cc1OC 430635604 HHXWZFLQTSNUSR-ZIAGYGMSSA-N 432.498 4.158 5 20 IIBD COCc1nc2cc(NC(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc2o1 430790932 KTYQQDIPIQEKAS-UHFFFAOYSA-N 438.362 4.342 5 20 IIBD C[S@](=O)C1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CCC1 435750687 OHKOJBGTZKMEJY-VWLOTQADSA-N 427.320 4.008 5 20 IIBD O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 439107111 AMDRMGZFKNAUAR-UHFFFAOYSA-N 438.267 4.098 5 20 IIBD O=C(Nc1ccc2ccoc2c1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 442919917 GCXPXHYZTZZXRZ-UHFFFAOYSA-N 437.433 4.394 5 20 IIBD CO[C@H](C)c1nc(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cs1 444220784 CISIJAFQDYUFFP-SNVBAGLBSA-N 429.448 4.053 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl 444902324 WDFUECRTNUZHNT-UHFFFAOYSA-N 427.244 4.013 5 20 IIBD CCCCn1ccnc1-c1cccc(NC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 444914048 RYBIJFJEIFNNQJ-UHFFFAOYSA-N 433.472 4.456 5 20 IIBD COc1cc(Cc2noc(CCn3ccc4cc(Cl)ccc43)n2)c([N+](=O)[O-])c(OC)c1 445822903 YBFFEIVBQZIWTO-UHFFFAOYSA-N 442.859 4.437 5 20 IIBD CNC(=O)c1cc(Oc2cc(C)ccc2NC(=O)CCc2cccc([N+](=O)[O-])c2)ccn1 445964829 ATJXUDJHVZFTRT-UHFFFAOYSA-N 434.452 4.021 5 20 IIBD COC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c(OC)c1 446116879 FKJKAOCGHQEXHB-UHFFFAOYSA-N 435.436 4.254 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)C1CCN(C2CC2)CC1 447197163 BGQQYCKIKRKRKI-UHFFFAOYSA-N 443.525 4.313 5 20 IIBD CO[C@H](CNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)c1ccc(Cl)cc1 460326549 JNEUDUANEJOLGY-HXUWFJFHSA-N 442.903 4.227 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N(CCC(F)(F)F)CC3CC3)n2C[C@H]2CCCO2)c1 460896508 PKXZXPRGDPSIHU-QGZVFWFLSA-N 439.438 4.201 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@H]3c3cccs3)n2C[C@H]2CCOC2)c1 461585635 ZTKGPMYDWLCLGV-QAPCUYQASA-N 425.514 4.293 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1C 462492171 URBJCJOKXHBJMY-FXAWDEMLSA-N 427.526 4.012 5 20 IIBD O=C(CCc1nc2cc(Br)ccc2s1)N1CCc2ccc([N+](=O)[O-])cc21 463340842 REZCCRJESOBHRH-UHFFFAOYSA-N 432.299 4.489 5 20 IIBD C[C@H](NCc1c(F)cc([N+](=O)[O-])cc1F)c1ccc(Br)cc1OCCCO 463368863 PVTFXUAXJVCPKQ-NSHDSACASA-N 445.260 4.248 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(F)ccc2OCC(F)(F)F)c2ncccc12 463529085 TVQGVBFXZLVSEO-UHFFFAOYSA-N 445.350 4.024 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@@H](Cc1ccccc1)c1ccccc1 464037832 HMWCVJVJLAOARC-OAQYLSRUSA-N 431.492 4.293 5 20 IIBD CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 465252348 LHCRLNRAXRFMDU-UHFFFAOYSA-N 440.477 4.362 5 20 IIBD Cc1cccc(Oc2cc(CNc3ccc([N+](=O)[O-])cc3S(C)(=O)=O)ccn2)c1C 468726988 ULXSJARXMABEDS-UHFFFAOYSA-N 427.482 4.415 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3ccccc3O[C@H]3CCOC3)cc2[N+](=O)[O-])CC1 470777488 WRMMWBYMNJNDKD-SFHVURJKSA-N 425.485 4.251 5 20 IIBD O=C(NC[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 471435991 JHIVVZALOHMVAX-MRXNPFEDSA-N 435.402 4.038 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC[C@@H]3[C@@H]3CCCCC3=O)cc2[N+](=O)[O-])C1 471913357 VFGVFYRGIUOGLT-KVPLUYHFSA-N 427.545 4.441 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)OC(C)C 474144789 LVWZDIBAUQAPER-JOCHJYFZSA-N 427.501 4.444 5 20 IIBD CCOc1ccc(Oc2cc(CNC(=O)Cc3ccc([N+](=O)[O-])cc3F)ccn2)cc1 477471734 QLFFWXJNGBNQJJ-UHFFFAOYSA-N 425.416 4.179 5 20 IIBD CCOC(=O)c1sc(NC(=O)c2cccc([N+](=O)[O-])c2OC)nc1-c1ccccc1 479626689 BJOOYUZKVBMWHW-UHFFFAOYSA-N 427.438 4.156 5 20 IIBD COc1ccc2ccccc2c1-c1cc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)on1 479660710 WARXMNIJHHDGHG-UHFFFAOYSA-N 435.411 4.410 5 20 IIBD O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC(=O)c1ncccc1Br 483162571 WPYARUFJWCCXAV-UHFFFAOYSA-N 426.226 4.236 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccccc2F)co1 484663278 LPTYKRUFQMLYBI-UHFFFAOYSA-N 445.428 4.296 5 20 IIBD Cc1c(CNC(=O)Nc2ccnn2Cc2ccccc2Br)cccc1[N+](=O)[O-] 484795186 KCKKVISLWZOEJX-UHFFFAOYSA-N 444.289 4.232 5 20 IIBD Cc1c(NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cccc1NC(=O)c1ccccc1 486140678 YSPXDPAPUFROLL-UHFFFAOYSA-N 430.464 4.157 5 20 IIBD COCCn1c(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])nc2ccccc21 486151466 BANPSDYTGMYUJI-UHFFFAOYSA-N 446.463 4.422 5 20 IIBD Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 487005917 YTWDUXPEKQZBOH-UHFFFAOYSA-N 439.541 4.359 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 487025323 JCEZHSSNONGUSK-FQEVSTJZSA-N 444.451 4.198 5 20 IIBD O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 489156296 LBGNQVMURLGMCD-NRFANRHFSA-N 433.855 4.348 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)NCc2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)cc1[N+](=O)[O-] 489899589 RHTYPGLMUNCIIC-CEXWTWQISA-N 440.544 4.073 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O 490879570 VFIFWLNESFJRPE-LJQANCHMSA-N 448.882 4.113 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)Nc2ccc3nccnc3c2Br)cc1[N+](=O)[O-] 491230987 ZTURMSNQOBOEJV-LLVKDONJSA-N 430.262 4.492 5 20 IIBD CCc1cnc(CN(C)[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)s1 494889308 BFXGYDUORJLSJT-LBPRGKRZSA-N 431.543 4.196 5 20 IIBD CC(=O)Nc1cccc(Nc2nnc(Sc3nc4sccn4c3[N+](=O)[O-])s2)c1 497537912 UELNSZNFLZVMQU-UHFFFAOYSA-N 433.500 4.009 5 20 IIBD CC(C)(C(=O)Nc1nc(-c2cc(Br)cs2)cs1)n1cc([N+](=O)[O-])cn1 497936256 FJOYWHJTJJQZKE-UHFFFAOYSA-N 442.320 4.113 5 20 IIBD O=C(c1nn(-c2ccc(F)cc2)c2c1CCC2)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 498151684 CXBSRMHZKLNZCY-JOCHJYFZSA-N 438.484 4.296 5 20 IIBD COc1cc(C(=O)NCC2(c3ccc(F)cc3Cl)CC2)c([N+](=O)[O-])cc1OC(F)F 498325490 XJADFYYGPZISKQ-UHFFFAOYSA-N 444.793 4.459 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 498409257 JHXLECHPWVCLJO-DENIHFKCSA-N 430.508 4.270 5 20 IIBD CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 499364963 RWMJOEFQOOBCQI-UHFFFAOYSA-N 434.418 4.299 5 20 IIBD Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cccc(NC(=O)Nc2cccc3c2CCCC3)c1 501204013 KDDOIDWMWVHRJK-UHFFFAOYSA-N 434.456 4.103 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CC4(CCCCC4)C3)cc2)cc1[N+](=O)[O-] 503247351 LFTILRJYNAHBAF-UHFFFAOYSA-N 443.525 4.110 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(c2ccccc2F)C1=O 503628141 MYQAJVLTAYCQHC-KRWDZBQOSA-N 431.489 4.161 5 20 IIBD C[C@@H]1CCc2c(sc3nc(CCc4nc(-c5cccc([N+](=O)[O-])c5)no4)nc(O)c23)C1 505037417 CKEQXWJAKLXUFO-LLVKDONJSA-N 437.481 4.265 5 20 IIBD COc1cc(CCNC(=O)NCC2(c3ccc(F)cc3)CCCC2)c([N+](=O)[O-])cc1OC 505084812 DZIIFBJKIKWVHH-UHFFFAOYSA-N 445.491 4.105 5 20 IIBD COc1ccc(CN2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)cc1F 506008938 GHCUNCPCNHSIRX-UHFFFAOYSA-N 442.516 4.184 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1 506134227 FQCAUMXZUKBUEX-UHFFFAOYSA-N 440.529 4.242 5 20 IIBD COc1cc(CN2CCC[C@H](CN3CCCC[C@@H]3C)C2)c([N+](=O)[O-])cc1OC(F)F 506475449 WZNZYWXHMNGELV-HOTGVXAUSA-N 427.492 4.291 5 20 IIBD O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 515879726 TUGCOFYCCIOZQT-GFCCVEGCSA-N 444.900 4.349 5 20 IIBD C[C@H]1CN(C)CCN1C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 518790056 UHGFCYSEKIMUHY-CQUHBBLWSA-N 436.537 4.298 5 20 IIBD CN1C(=O)C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H]1c1cccc(Cl)c1 522335236 HEXOIWKUZCFASF-GUYCJALGSA-N 439.802 4.008 5 20 IIBD CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cc1 522572810 NHONDABAIRHKMU-UHFFFAOYSA-N 441.875 4.095 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1 522577703 XGDLGNJIFBWBGO-CQSZACIVSA-N 442.859 4.327 5 20 IIBD CS(=O)(=O)Nc1ccc(F)cc1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 522673600 HFTSDJNMDSIEJQ-UHFFFAOYSA-N 445.428 4.150 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccc(C(C)(C)C(N)=O)cc2)cc1[N+](=O)[O-])c1ccccn1 523517667 PIRNCWSTGIFTNA-OAHLLOKOSA-N 447.495 4.178 5 20 IIBD Cc1cc(S(=O)(=O)Nc2cccc(COCCOc3ccccc3)c2)ccc1[N+](=O)[O-] 523728686 LSDNCHUKZGFOND-UHFFFAOYSA-N 442.493 4.300 5 20 IIBD COc1cc(C(=O)N(C)c2cc(F)ccc2F)c([N+](=O)[O-])cc1OCc1cscn1 524032152 ZXSHIRRFBOXDQG-UHFFFAOYSA-N 435.408 4.194 5 20 IIBD C[C@H](Nc1ccc(C(=O)N(C)CCN(C)C2CCCCC2)cc1[N+](=O)[O-])c1ccccn1 524448760 LMORBEUAFWYQND-SFHVURJKSA-N 439.560 4.499 5 20 IIBD COc1cc(C(=O)NCCc2cc(C)cc(C)c2)c([N+](=O)[O-])cc1OCc1cscn1 524863016 DEJYLFFTYINBAD-UHFFFAOYSA-N 441.509 4.228 5 20 IIBD CCOc1cc(NC(=O)c2cc(Br)ccc2OC)c([N+](=O)[O-])cc1OCC 525530051 WAUVOBYDGIWTQS-UHFFFAOYSA-N 439.262 4.416 5 20 IIBD CC(C)OCCN1CCC(NCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 530870481 RSAIIBKMVUHJMJ-UHFFFAOYSA-N 426.561 4.342 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1[N+](=O)[O-] 531220252 HQCYANKJCQKWHY-CQSZACIVSA-N 436.434 4.411 5 20 IIBD O=[N+]([O-])c1ncccc1S(=O)(=O)N1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 532297477 GSXYLOIDFGTGLY-GOSISDBHSA-N 429.885 4.132 5 20 IIBD Cc1c(F)ccc2sc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)nc12 532618357 HMUOWXFHWWSKQQ-UHFFFAOYSA-N 435.380 4.472 5 20 IIBD CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 536088307 RBBJUHDNXPQCOT-UHFFFAOYSA-N 448.401 4.125 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 538043075 YEDQIOASUIGBHU-ODXCJYRJSA-N 446.301 4.274 5 20 IIBD COc1cc(CN[C@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)ccc1OCC(N)=O 539042235 WVWHTZLYSJXQCO-CQSZACIVSA-N 441.509 4.047 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN(CCc2ccccc2)C1 540472195 VJSOYPBIMZWARD-IBGZPJMESA-N 427.570 4.390 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)[C@H]2CCCC[C@H]12 542060105 AAXGFFYHWJSVNR-LPTQZCDUSA-N 443.525 4.046 5 20 IIBD COc1ccc2c(c1)CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](c1ccccc1)C2 542278595 AGONOYKCWGLVKT-ZJSXRUAMSA-N 434.492 4.143 5 20 IIBD O=C(Nc1ccc(Oc2nncc3ccccc23)cc1)c1cc2c(c([N+](=O)[O-])c1)OCO2 544031132 PZYZFJZVMRKKHY-UHFFFAOYSA-N 430.376 4.311 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)CSc1ccccc1[N+](=O)[O-] 544060858 ATGROISEVJQBEH-SGTLLEGYSA-N 439.331 4.342 5 20 IIBD CC(=O)NC1(c2noc(-c3ccc(N4C[C@@H](C)C[C@H](C)C4)c([N+](=O)[O-])c3)n2)CCCCC1 545598711 LSZUVSMEEPTFMR-HOTGVXAUSA-N 441.532 4.423 5 20 IIBD COc1ccc(COc2ccc(-c3noc(CN(C)c4ccccc4[N+](=O)[O-])n3)cn2)cc1 545654891 OKZLTKMSHJRKHG-UHFFFAOYSA-N 447.451 4.264 5 20 IIBD CCOc1ccc(OCc2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)cc1 545738893 WRNHIBDYUSNEKE-UHFFFAOYSA-N 434.246 4.309 5 20 IIBD CCn1c(S[C@H](Cc2ccc(Cl)cc2)C(N)=O)nc2cc3ccccc3cc2c1=O 546899346 MIMQYYVKJRUCBY-HXUWFJFHSA-N 437.952 4.412 5 20 IIBD COCCOc1ccccc1S(=O)(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 547240385 PLDHWTIRXMLOJH-UHFFFAOYSA-N 444.465 4.213 5 20 IIBD COc1ccc(Cc2noc(-c3cc([N+](=O)[O-])cc(Br)c3C)n2)cc1OC 551397657 ILAAJTHKATVMQZ-UHFFFAOYSA-N 434.246 4.324 5 20 IIBD COCCC[C@@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 552680896 IWHNNLUZAYZQME-SFHVURJKSA-N 442.903 4.374 5 20 IIBD O=C(NCc1cnc(-c2ccc(Cl)cc2)s1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 552785985 IUWOCZAZGDJGTK-UHFFFAOYSA-N 439.884 4.487 5 20 IIBD O=C(N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 553492025 FFNYFDBWSMOHPF-SFHVURJKSA-N 429.358 4.295 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(S(=O)(=O)CC)cc1 553920293 IQWOWWALZKPOMV-UHFFFAOYSA-N 436.555 4.211 5 20 IIBD O=C(CCC(F)(F)F)N1CCC[C@@H](N[C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 554095065 NBGUZLXUJUPBRY-KBAYOESNSA-N 427.467 4.229 5 20 IIBD Cc1ccc(C[C@@H]2CCCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)C2)cc1 557699843 BCUDSYPNQZSCKY-OALUTQOASA-N 441.553 4.051 5 20 IIBD Cc1ccc(-c2noc(-c3ccc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)cc3)n2)o1 559888259 CBLSCYLWZKMLEE-UHFFFAOYSA-N 426.410 4.014 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1F)N(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 561332006 AZSXGPSNZPIQIC-QFIPXVFZSA-N 448.498 4.436 5 20 IIBD COCCCOc1ccc(Nc2ncc([N+](=O)[O-])c(C)c2Br)cc1OC 561358270 YEEYAPALADNXDH-UHFFFAOYSA-N 426.267 4.228 5 20 IIBD CCS(=O)(=O)c1ccc(CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1 561896728 XOPQFYAVGYTTKD-UHFFFAOYSA-N 439.493 4.062 5 20 IIBD COc1ccc([C@H](Cc2ccccc2)NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 563948355 AYNFGQJQFUUDGP-QFIPXVFZSA-N 426.494 4.007 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@H](c2ccsc2)O[C@H](C)C1 565078788 OPJVJIIMMJMWMZ-QLJPJBMISA-N 425.304 4.329 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1Sc1nc2sc(-c3ccccc3)cc2c(=O)n1C 566640447 JQMOTEXZWPURAF-UHFFFAOYSA-N 427.511 4.246 5 20 IIBD Cc1ccc(CN2CC[C@H](CN(C)C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C2)s1 570700003 CZTLFYIWTYVLKG-GOSISDBHSA-N 442.585 4.159 5 20 IIBD COc1ccc(-c2cc(NC(=O)c3cc([N+](=O)[O-])cnc3N)ccc2OC(F)F)cc1 572912702 AIBNDEXCZYSMED-UHFFFAOYSA-N 430.367 4.101 5 20 IIBD COCCN(C(=O)c1nc(C(C)C)oc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 576067510 YPXRTIMDFPJVTH-UHFFFAOYSA-N 430.486 4.431 5 20 IIBD Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 577043456 MJEIDCORQNRWCP-GCJKJVERSA-N 433.512 4.289 5 20 IIBD CC(C)Oc1ccc([C@H](CN[C@H](c2cccc([N+](=O)[O-])c2)c2nccn2C)N(C)C)cc1 577785062 SJVRVDOZSCGFPJ-XZOQPEGZSA-N 437.544 4.097 5 20 IIBD O=C(NC1(C(F)F)CCCC1)c1cc(C(=O)NC2(C(F)F)CCCC2)cc([N+](=O)[O-])c1 589118311 WFBMVZJNRQPHCT-UHFFFAOYSA-N 445.413 4.210 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(C[C@@H](C)c2ccccc2)o1 594639303 XMBOIXMTSOWUSL-CYBMUJFWSA-N 428.470 4.063 5 20 IIBD COc1cc(C(=O)Nc2c(C(=O)c3ccco3)oc3ccccc23)c([N+](=O)[O-])cc1OC 603466582 XGCAYKHNXABEIQ-UHFFFAOYSA-N 436.376 4.435 5 20 IIBD Cc1cc(C)n(-c2ccc(CNC(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)cn2)n1 603921209 PLJNWOKJVMVRBY-UHFFFAOYSA-N 442.479 4.466 5 20 IIBD CC(=O)N[C@H](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1)c1cccs1 603997385 YMRCJQOPISCSLY-OAHLLOKOSA-N 430.511 4.294 5 20 IIBD CCC(CC)[C@H](NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)c1cccs1 604024845 BFKWPSIETVPSIY-FQEVSTJZSA-N 440.525 4.418 5 20 IIBD COc1cc([C@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)ccc1OC1CCCC1 604036857 YJNGYAOSLSLKMZ-HNNXBMFYSA-N 434.514 4.273 5 20 IIBD COc1ccc(CNC(=O)N2CCC[C@H]2c2cccc(Br)c2)cc1[N+](=O)[O-] 604104733 LHDUXGNOSCNMKQ-INIZCTEOSA-N 434.290 4.413 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCC(c2nc3ccccc3s2)CC1 604157984 GEFBGOPPEWUAFJ-UHFFFAOYSA-N 444.900 4.203 5 20 IIBD COc1ccccc1-c1cc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)n[nH]1 604498903 GDFDSCSVVPVLPT-UHFFFAOYSA-N 446.467 4.107 5 20 IIBD O=C(CCc1ccc(OC(F)(F)F)cc1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 608933730 OADPTBHIHGQBFP-UHFFFAOYSA-N 426.347 4.226 5 20 IIBD CCOc1ccc(CCC2CCN(C(=O)Cc3ccc(OC)c([N+](=O)[O-])c3)CC2)cc1 609009965 MGDZXVNJCJCJIX-UHFFFAOYSA-N 426.513 4.416 5 20 IIBD O=C(COc1ccccc1OCC(F)(F)F)Nc1cc([N+](=O)[O-])ccc1OC(F)F 609011372 SQLVYRYELAPUNI-UHFFFAOYSA-N 436.289 4.155 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCc2[nH]c3ccc(Br)cc3c2C1 609196968 IMQXHHOWJVSFOB-GFCCVEGCSA-N 443.301 4.224 5 20 IIBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)Nc1cccc(Sc2ccccc2)c1 609375190 JWFWFIXCNCQOMO-UHFFFAOYSA-N 435.461 4.110 5 20 IIBD C[C@@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])Sc1ccc(Br)cc1 609463387 GHABYYIYZMULQY-ZDUSSCGKSA-N 439.331 4.423 5 20 IIBD O=C(COc1ccccc1)Nc1ccccc1OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 609831271 QVERYYASNHTPEK-UHFFFAOYSA-N 446.419 4.241 5 20 IIBD COc1ccc2c(c1)OCC[C@@H]2NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 610234223 OOMGYXGCNAEPDY-IBGZPJMESA-N 425.485 4.093 5 20 IIBD CN(C[C@H](O)C1CC1)C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 610669923 JXRYGJOBDKNMPX-INIZCTEOSA-N 429.523 4.199 5 20 IIBD O=C(NCCNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)c1ccc(Cl)cc1 611199368 MTIWISJIGYZWIF-UHFFFAOYSA-N 447.944 4.443 5 20 IIBD COc1ccc(CN2CCC([C@H]3CCOC3)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 612402074 CQAKXRFFKVEWCX-NRFANRHFSA-N 426.513 4.431 5 20 IIBD CCCOc1cc(NC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)c([N+](=O)[O-])cc1OCCC 619727620 FMVFVHFMAKCILK-LHSJRXKWSA-N 430.457 4.339 5 20 IIBD Cc1nc(-c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)co1 726501047 ADGDTBHDZXOEHR-NRFANRHFSA-N 434.452 4.110 5 20 IIBD O=C(CCc1c[nH]c2ccccc12)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727330013 VOBKXNFKADBKOI-UHFFFAOYSA-N 446.429 4.376 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(CC[C@@H](O)c2ccccc2)cc1 727360251 IPCXMWSXOSIUCQ-OAQYLSRUSA-N 426.494 4.370 5 20 IIBD O=C(CCc1ccc(OC(F)(F)F)cc1)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 727534087 BXDKQYCRNRUZPD-UHFFFAOYSA-N 437.330 4.219 5 20 IIBD C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] 728352124 YIHGWCGXFKATHV-QGZVFWFLSA-N 434.448 4.135 5 20 IIBD COC(=O)C1=C(C)N(c2ccc(C)cc2C)C(=O)N[C@H]1c1cc([N+](=O)[O-])c(F)cc1F 731430057 GDNGAUJUHXFWCS-IBGZPJMESA-N 431.395 4.208 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC=C(c2cccc3ccccc23)CC1 731620589 ABPALYYGVVSGTP-UHFFFAOYSA-N 446.459 4.264 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1nc(-c2ccc(C)s2)c(C)s1 731631224 UNNJPZJTQYCOOR-UHFFFAOYSA-N 447.494 4.235 5 20 IIBD CCc1ccc2c(c1)[C@H](CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(=O)N2 731885777 VFHVBRCUJRFIQA-SFHVURJKSA-N 436.512 4.003 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1ccc(Oc2ccc(Cl)nn2)cc1 733322471 BQXFMPQCCIQKCF-LBPRGKRZSA-N 443.847 4.278 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])O[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O 733383199 TURSSYLSPDYDAX-OAHLLOKOSA-N 440.399 4.054 5 20 IIBD Cc1ccc(-c2csc(CC(=N)NOCc3cc([N+](=O)[O-])cc4c3OCOC4)n2)cc1 735077370 VVCVXZCUUNQBOR-UHFFFAOYSA-N 440.481 4.134 5 20 IIBD O=[N+]([O-])c1ccc(/C(O)=C(/C(=S)NCc2cccs2)[n+]2cccc(O)c2Cl)cc1 735668063 XTFIQFNTAARDAG-UHFFFAOYSA-O 448.933 4.304 5 20 IIBD COc1cc(N2CCC(OC(=O)c3ccccc3OC3CCC3)CC2)ccc1[N+](=O)[O-] 739380852 ODWNHWHDPYPLPV-UHFFFAOYSA-N 426.469 4.361 5 20 IIBD C[C@H](OC(=O)Cc1c[nH]c2ccc(Cl)cc12)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 740302464 OHQKDPXYRXBQDT-JTQLQIEISA-N 436.251 4.496 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@@H]3C[C@@]34CCc3ccccc34)CC2)ccc1[N+](=O)[O-] 744204549 PMGJJMRECMHUIA-SQJMNOBHSA-N 436.508 4.410 5 20 IIBD O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCCN(c2ncnc3sccc23)C1 746078418 RAFYZAOWFJMRFV-GFCCVEGCSA-N 432.889 4.213 5 20 IIBD C[C@@H](Nc1ccc(C(=O)OCC(=O)c2ccc3c(c2)COC3)cc1[N+](=O)[O-])c1ccccn1 746584286 XPHUMXHXJLQWHB-OAHLLOKOSA-N 447.447 4.233 5 20 IIBD CCN(c1ccc(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1)C(C)C 746620331 UCMBZPGSLVTSTB-HNNXBMFYSA-N 429.473 4.022 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)Cc1cc(Cl)ccc1Cl 748399929 IXUONFBSHKEFNF-JTQLQIEISA-N 427.240 4.023 5 20 IIBD Cc1c(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748609251 CFHJUJFQRDDKRV-UHFFFAOYSA-N 441.440 4.434 5 20 IIBD CC(=O)N[C@H](CC(=O)O[C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 749060582 YEDPQQWTOKLTLM-SJKOYZFVSA-N 435.274 4.229 5 20 IIBD O=[N+]([O-])c1cccc([C@H](O)CNCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1 749664140 HXMGVBXGQOZNMA-HSZRJFAPSA-N 432.455 4.410 5 20 IIBD Cc1cc(Br)ccc1C(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 750428517 RHSFQRPFIJGWDD-UHFFFAOYSA-N 434.290 4.134 5 20 IIBD COCC[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 751143739 GSACGPJSVXSEAF-SFHVURJKSA-N 425.529 4.209 5 20 IIBD C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc(I)c([N+](=O)[O-])c1 751353939 BRGZATZRUIEBMU-IUODEOHRSA-N 436.249 4.218 5 20 IIBD O=C(NCc1nccn1CCCc1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 751424295 UTGHEYDUUFPSOL-UHFFFAOYSA-N 447.539 4.344 5 20 IIBD CC(C)(C)OC(=O)NCC1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 751792614 WNQJJNFGESENGE-UHFFFAOYSA-N 443.953 4.104 5 20 IIBD C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 755019730 KUVJSTYQRGIYJA-MMRAYRKESA-N 433.804 4.130 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H](C(=O)Nc1ccccc1C(F)(F)F)C(C)C 755676035 HETASKXXJNHUBK-QGZVFWFLSA-N 440.374 4.442 5 20 IIBD C[C@H](OC(=O)c1cccc(Br)c1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 759146985 BTCAFCUMLZMODU-VIFPVBQESA-N 436.193 4.464 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1F 760343901 ZYIZXAFEUCVYNU-HNNXBMFYSA-N 449.504 4.166 5 20 IIBD O=C(Nc1ccccc1-c1noc(COc2ccc([N+](=O)[O-])c(F)c2)n1)c1ccccn1 761940623 XKLWMJKAGMPVDT-UHFFFAOYSA-N 435.371 4.010 5 20 IIBD COCCCOc1cc(C)ccc1-c1noc(-c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)n1 762266487 ZZJABVGSGFNJNX-UHFFFAOYSA-N 435.440 4.221 5 20 IIBD O=C(COC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1ccc(NC(=O)c2ccccc2)cc1 762904985 AUCPFOZPSHRWKK-UHFFFAOYSA-N 443.415 4.368 5 20 IIBD C[C@H](NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)c1ccc(NC(=O)c2ccncc2)cc1 764258628 GXTRYEDSIFDMOB-LBPRGKRZSA-N 426.379 4.011 5 20 IIBD CNc1c(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cccc1[N+](=O)[O-] 765516494 KMHDWUJGKMUIGV-VIFPVBQESA-N 445.781 4.493 5 20 IIBD O=C(OCc1nc2cc(C(F)(F)F)ccc2o1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 767284080 VKHQVROQEKAECF-UHFFFAOYSA-N 432.314 4.298 5 20 IIBD Cc1cc2c(N3CCC[C@H]3C(=O)OCc3ccc(Cl)c([N+](=O)[O-])c3)ncnc2s1 770552117 DGOBEYWJZRNHGC-HNNXBMFYSA-N 432.889 4.274 5 20 IIBD COc1ccc(NC(=O)c2nnc(/C(Cl)=C/c3ccc([N+](=O)[O-])c(OC)c3)s2)cc1 770571016 NDXYLAZHHUIVKZ-ZROIWOOFSA-N 446.872 4.453 5 20 IIBD C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 771748249 CDFREFIRTVOEDF-UONOGXRCSA-N 446.529 4.188 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])CC1 771766916 YQGVHPNBDMJXGL-UHFFFAOYSA-N 433.505 4.261 5 20 IIBD CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)c1ccc([N+](=O)[O-])cc1N1CCOC1=O 774515752 DCRNJIFJOJNQHK-UHFFFAOYSA-N 439.447 4.150 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)C1CCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 774625262 DSESZOFPVCMJAZ-CYBMUJFWSA-N 437.928 4.181 5 20 IIBD C[C@@H](OC(=O)c1ccccc1OC(F)(F)F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 775109869 OKZQWOCYONYBOG-SECBINFHSA-N 432.738 4.331 5 20 IIBD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)ccc21 777975133 HHSMGPNHIIXCBM-UHFFFAOYSA-N 444.438 4.148 5 20 IIBD CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1Cl 778091222 DEMQNNGMNMKFPL-XOBRGWDASA-N 430.888 4.291 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2c[nH]cc2-c2ccc(C)s2)c([N+](=O)[O-])c1 778432226 WCHKNWMERSHLMZ-GFCCVEGCSA-N 429.454 4.152 5 20 IIBD CC(C)(C)[C@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1cccs1 778886214 BUZZOZADPXFWMI-MRXNPFEDSA-N 442.440 4.318 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1CCC[C@@]12CCOC2=O 779254095 LQNLRWAAKZWPTG-FQEVSTJZSA-N 432.885 4.321 5 20 IIBD CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 780901318 YTZLEJBBXKGAQF-QGZVFWFLSA-N 437.540 4.495 5 20 IIBD C[C@@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc(-c2ccccc2)cs1 781631413 JWNATEBCEAUPKL-CYBMUJFWSA-N 426.454 4.437 5 20 IIBD CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)OCc1ccc([N+](=O)[O-])c(F)c1 783538336 KSBZHSGSGPPWEB-ZDUSSCGKSA-N 441.502 4.142 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)NCCc2ccc(C(C)C)cc2)cc1[N+](=O)[O-] 784611750 KLZRNHJRXAFYDJ-UHFFFAOYSA-N 448.317 4.087 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N(C)CCCCc2ccccc2)cc1[N+](=O)[O-] 784672256 ZALCEMSGWQOZHR-UHFFFAOYSA-N 448.317 4.086 5 20 IIBD O=C(NCCn1c2ccccc2c2ccccc21)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 784995009 GHALKEIVISFLIY-UHFFFAOYSA-N 436.855 4.111 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1cc(Br)c(F)cc1F 786097182 CWMMWRQRIJOQAN-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)Cc2nc(-c3ccc(F)cc3)cs2)cccc1[N+](=O)[O-] 787007093 BZPGCALPVOVXJJ-CYBMUJFWSA-N 443.456 4.279 5 20 IIBD C[C@H](c1cc2ccccc2o1)N(C)C(=O)COC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790746785 VRGZERANOPJQIT-GFCCVEGCSA-N 448.834 4.439 5 20 IIBD O=C(c1cccc(OC(F)F)c1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791174536 NIZDLASYJLBZGU-UHFFFAOYSA-N 427.201 4.157 5 20 IIBD Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C1 791218655 JSVHFCMMJZBJHI-CQSZACIVSA-N 434.899 4.018 5 20 IIBD CCc1c(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cnn1-c1ccc(Cl)cc1 791579989 MUNPMTQUBLNSKO-HXUWFJFHSA-N 439.859 4.128 5 20 IIBD CC(C)c1[nH]nc(C(=O)OCc2ccnc(-c3ccc(Br)cc3)n2)c1[N+](=O)[O-] 796256570 WDEHWLAJJPOKQT-UHFFFAOYSA-N 446.261 4.018 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)OCC(=O)c1cccc(Cl)c1Cl 801863304 XUWHIFQZPUWOIW-UHFFFAOYSA-N 435.219 4.255 5 20 IIBD COc1cc(C(=O)O[C@H](C)c2ccc(S[C@@H]3CCCCNC3=O)cc2)ccc1[N+](=O)[O-] 809046087 KBILLZAUEJRHIN-JLTOFOAXSA-N 444.509 4.282 5 20 IIBD Cc1ccc([C@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c2ccccn2)cc1 809841019 YLSUYRAFJLHIDT-IBGZPJMESA-N 435.864 4.159 5 20 IIBD CC(=O)N(c1ccc(Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])cc1)[C@H]1C[C@H]1C 814944053 JPUCMGYVOXVROQ-VLIAUNLRSA-N 433.468 4.064 5 20 IIBD O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CCC(c2c[nH]c3ccccc23)CC1 814982104 XITMFWNDTHLQMM-UHFFFAOYSA-N 437.880 4.437 5 20 IIBD COc1ccc(C(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1OC 815510550 BAZCMHKEGGVCPV-SNVBAGLBSA-N 427.331 4.059 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1nc2ccccc2n1C(F)F 823765616 RIUVMQZPZOKCEG-ZDUSSCGKSA-N 429.427 4.431 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c2ccccc2)cc1 915525413 YQIPOEZJAHPEJT-QHCPKHFHSA-N 444.447 4.176 5 20 IIBD O=C(O[C@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 916665019 IMKPHGVTQLTEMS-QFIPXVFZSA-N 437.496 4.106 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(N2CCC(Oc3ccc(C(C)C)cc3)CC2)c1[N+](=O)[O-] 917083498 LZCIJOAQAFZXEM-UHFFFAOYSA-N 429.473 4.475 5 20 IIBD COc1ccc(CCCNc2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])cc1 918183728 TXEQHKRZGHWKCP-UHFFFAOYSA-N 440.250 4.327 5 20 IIBD Cc1cccc(C(=O)NCCNc2ccccc2[N+](=O)[O-])c1NC(=O)c1ccccc1F 918279686 DLWZXCUCVQCOKO-UHFFFAOYSA-N 436.443 4.137 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1cnc(C(C)(C)C)s1 920217053 IRKMIROACVWDBS-UHFFFAOYSA-N 429.502 4.450 5 20 IIBD COc1cc(CCNC(=O)c2nc(-c3ccccc3)oc2C(C)C)c([N+](=O)[O-])cc1OC 1115890775 PHIPVWHKMPGPJK-UHFFFAOYSA-N 439.468 4.363 5 20 IIBD CC(C)(C)OC(=O)C1(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CCCCC1 1262806500 DWVRIPAPUSMDKY-UHFFFAOYSA-N 446.422 4.310 5 20 IIBD O=C(Nc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1)c1cccc(Cl)c1[N+](=O)[O-] 1319559649 QPUWEQGDCCKUQK-UHFFFAOYSA-N 449.716 4.269 5 20 IIBD CC(C)(C)OC(=O)NCCOc1ccc(NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc1 1325270135 BAVBSTLXEZJZLR-UHFFFAOYSA-N 442.472 4.046 5 20 IIBD Cc1nnc(O)c(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)c1C 1327635413 BYZXUYPEEDTZNI-UHFFFAOYSA-N 444.900 4.442 5 20 IIBD COc1ccc(NC(=O)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c([N+](=O)[O-])c1 1345056251 SBMHWYAHUPKWIH-AWEZNQCLSA-N 435.440 4.133 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CCC2)c(C)n1C 1785749721 JKQAHHRMPCMARN-UHFFFAOYSA-N 436.468 4.205 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccnc4C)CCC3)cc2)ncc1[N+](=O)[O-] 1788764854 MWDLEOXOYYKEII-UHFFFAOYSA-N 445.479 4.063 5 20 IIBD Cc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C3)cc1C 1794045417 BFKITIJBDGYDGU-NUNAXRQHSA-N 449.551 4.025 5 20 IIBD Cc1c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(C)CC3)[nH]n2)cc(Cl)cc1[N+](=O)[O-] 1821290432 BQDGAPDXZOWEBS-MRXNPFEDSA-N 445.907 4.386 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccnc1SC(F)F 9891442 QVZDXGLBOZSUOB-UHFFFAOYSA-N 436.362 4.165 5 20 IIBD CCOC(=O)c1sc(NC(=O)COC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1C 10565735 OWBRASQFYSRNLC-UHFFFAOYSA-N 448.478 4.152 5 20 IIBD C[C@@H](OC(=O)CCC(=O)c1ccc2ccccc2c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 10975439 DDVUIKCDTFSOLC-CQSZACIVSA-N 438.411 4.420 5 20 IIBD CCc1ccc([C@H](C)NC(=O)COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 11278195 DZFUFOIYOACKHU-SFHVURJKSA-N 442.515 4.138 5 20 IIBD O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\c1cccc(NC(=O)C(F)(F)F)c1 14176356 CYABWGMXSLRNOJ-QPEQYQDCSA-N 439.733 4.094 5 20 IIBD Cc1ccc(C2=CCN(C(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)CC2)cc1 16275242 KMNPUPNCCDRRNM-UHFFFAOYSA-N 435.509 4.112 5 20 IIBD O=C(OCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1)c1cccc([N+](=O)[O-])c1 24503996 LFIGMMHWILQDDV-INIZCTEOSA-N 441.490 4.253 5 20 IIBD COc1cc(CSc2nnnn2-c2cccc(C)c2C)c([N+](=O)[O-])cc1OC(F)F 25035769 RVZJCJSUPRHVTQ-UHFFFAOYSA-N 437.428 4.090 5 20 IIBD COc1ccc(CCNc2nnc(SCc3cccc([N+](=O)[O-])c3)s2)cc1OC 58170915 CWPQXDHSFRFLCZ-UHFFFAOYSA-N 432.527 4.410 5 20 IIBD Cc1noc(C)c1CN1CCN(C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)CC1 60627602 URYUTEASFYXYPG-UHFFFAOYSA-N 446.573 4.296 5 20 IIBD Cc1cc(C(=O)N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)cc([N+](=O)[O-])c1 195693921 ABTYLYRLGVFAMS-UHFFFAOYSA-N 440.500 4.124 5 20 IIBD O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1cc([N+](=O)[O-])ccc1O 216596714 GPNRHMWXFARIFE-SFHVURJKSA-N 439.855 4.454 5 20 IIBD COc1ccc(CN[C@@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)cc1[N+](=O)[O-] 237307478 QKUWCNQYUQCFCW-QHCPKHFHSA-N 440.521 4.195 5 20 IIBD O=C(Nc1cc(Cl)ccc1O)C1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 301359593 LQCUTKOQLBAGJP-UHFFFAOYSA-N 441.818 4.410 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1c(Cl)cccc1[N+](=O)[O-] 303382393 OEDMEMTYWNTEOV-UHFFFAOYSA-N 440.681 4.030 5 20 IIBD CCO[C@@H](C)c1nc(CN2CCN(c3ccnc4c([N+](=O)[O-])cccc34)CC2)cs1 432311516 FZVUGKIYOXMLNL-HNNXBMFYSA-N 427.530 4.019 5 20 IIBD COc1cc(CN2CCN(C)C[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OCC(F)(F)F 434989420 ALLMUASBXRLIRU-GOSISDBHSA-N 439.434 4.033 5 20 IIBD CCCOc1ccc(Cl)cc1NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 437056508 KLZMCWPJNYKUSF-UHFFFAOYSA-N 431.876 4.167 5 20 IIBD COc1ccccc1[C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCCC1 437678398 NVGSDMHOESYDOD-QFIPXVFZSA-N 438.528 4.115 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl 439765993 GMQVQIVMKJSZMP-LLVKDONJSA-N 440.283 4.458 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 439925473 HAPAXKYMVINJNU-LBPRGKRZSA-N 429.408 4.374 5 20 IIBD CC1(C)CN(c2nc(N3CC(C)(C)O[C@@H]4CCC[C@H]43)c([N+](=O)[O-])s2)[C@@H]2CCC[C@H]2O1 440559795 ZQEAOMYIMKKFLL-KLHDSHLOSA-N 436.578 4.124 5 20 IIBD CCN(c1ccccc1)c1ccc(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 442360446 GTLBUCUKABLPNF-UHFFFAOYSA-N 432.480 4.316 5 20 IIBD Cc1cc(Cl)c(NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1Cl 443950066 GRNQAQXMMXQBKH-UHFFFAOYSA-N 443.312 4.261 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 445180463 AZICTGIUVOJLTR-AWEZNQCLSA-N 449.307 4.362 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3c[nH]c4ccccc34)no2)c(I)c1 445440925 AUIHONVHTYLKNG-UHFFFAOYSA-N 432.177 4.398 5 20 IIBD Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 461398528 GKITUKKMXBBVQL-UHFFFAOYSA-N 446.385 4.347 5 20 IIBD COc1ccccc1[C@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl 462307577 GMHCRYFKRHSCIZ-OAQYLSRUSA-N 446.912 4.466 5 20 IIBD COc1ccc(C(=O)NCC(=O)N[C@H](C)c2ccc(Cl)c3ccccc23)cc1[N+](=O)[O-] 462844948 KBWSCWFSLYGSLG-CYBMUJFWSA-N 441.871 4.017 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(Cc2nnc3n2CCCCC3)cc1 464107873 AZQVROSAQSVMJF-UHFFFAOYSA-N 439.903 4.338 5 20 IIBD COc1cc(C(=O)N2CCC(C(F)(F)F)CC2)c([N+](=O)[O-])cc1OCc1cscn1 464508941 WDDPBLPDRVTQEP-UHFFFAOYSA-N 445.419 4.053 5 20 IIBD C[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)Oc1cccc(Br)c1 464691003 MYKYGQFANLFHON-LBPRGKRZSA-N 425.304 4.033 5 20 IIBD CCN(CC)[C@H]1CCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 464778798 WDQKBXFFCVPFIJ-GHTZIAJQSA-N 430.936 4.344 5 20 IIBD Cc1ccc(NC(=O)N[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1[N+](=O)[O-] 466283250 NWWXPSVRQPHFQM-OAQYLSRUSA-N 439.493 4.218 5 20 IIBD COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(N3CCC(C)CC3)c([N+](=O)[O-])c1)CCO2 466501801 FYDZMICFDYJBJO-IBGZPJMESA-N 425.485 4.093 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O 467736793 FTNNZUNXSNNJAV-JSNMRZPZSA-N 426.463 4.115 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 468099098 ZHYVAJUNVZXFHI-GOSISDBHSA-N 427.436 4.397 5 20 IIBD CCN(CC)Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 468833330 FYYSCHQIUOEXAD-UHFFFAOYSA-N 431.436 4.256 5 20 IIBD Cc1ccc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(-n2cc(Cl)cn2)n1 469217334 XTIJMGYESNAHDB-UHFFFAOYSA-N 440.891 4.012 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(Br)ccc1-n1cccn1 472733207 HWHAJIWZYHUSDP-UHFFFAOYSA-N 430.262 4.207 5 20 IIBD O=C(NCC(=O)N1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 474501527 XGRLCCRVGGXWQH-JOCHJYFZSA-N 449.894 4.304 5 20 IIBD CN(C)S(=O)(=O)c1ccc(Oc2ccc(Sc3ccncc3)cc2)c([N+](=O)[O-])c1 477178144 OUCCPTFIOADBTN-UHFFFAOYSA-N 431.495 4.184 5 20 IIBD Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 478736708 CZPAHKDPCLURMI-UHFFFAOYSA-N 434.374 4.419 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 481484182 URJBAOWSQDFLKT-UHFFFAOYSA-N 441.509 4.244 5 20 IIBD CC(C)NS(=O)(=O)Cc1ccccc1CNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 484818787 HXUDKCORUQCMQC-UHFFFAOYSA-N 435.546 4.212 5 20 IIBD CCCOc1ccc(C(=O)N2CCCc3c2cccc3[N+](=O)[O-])c(OCCCOC)c1 485727263 SNAIHQNFTZMJBF-UHFFFAOYSA-N 428.485 4.392 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(N[C@H](C)c2ccccc2)CCOCC1 486803747 KCQKQYYSLCNQEP-QGZVFWFLSA-N 443.569 4.337 5 20 IIBD O=C(N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1(c2ccc(Br)cc2)CCCC1 487092194 ZVQVKAPJSDQUST-UHFFFAOYSA-N 447.333 4.229 5 20 IIBD C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 487348796 ZHTZUOUFSSFOFX-JKSUJKDBSA-N 427.526 4.265 5 20 IIBD Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)c1 488129929 ZXCZILNVZGTXRK-QGZVFWFLSA-N 425.466 4.112 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NCC1(c2ccccc2)CCOCC1 494738299 XSKAWPJDURFKOL-UHFFFAOYSA-N 437.418 4.161 5 20 IIBD CC[C@H](NCc1c(Cl)cccc1[N+](=O)[O-])c1ccccc1OCC(=O)N1CCCC1 494815359 GWOLGKIZINFJLG-IBGZPJMESA-N 431.920 4.490 5 20 IIBD O=C(Nc1cccnc1-n1cncn1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 495499548 KEQISWSQAVHBFU-UHFFFAOYSA-N 436.815 4.269 5 20 IIBD CSc1ccc(NC(=O)Cn2cc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cn2)cc1 501109045 RWGASEDFFIWCGB-UHFFFAOYSA-N 445.888 4.058 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H](Oc2ccccc2Cl)C1 502312257 XIJZWIOCUAFVHG-CQSZACIVSA-N 425.666 4.304 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)CCN(C)C)cc1 503025282 KMLROXMATVSYLF-UHFFFAOYSA-N 430.530 4.239 5 20 IIBD O=C(CNc1ccccc1[N+](=O)[O-])Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 503783485 DZMQEZGNQAJCIK-UHFFFAOYSA-N 444.491 4.167 5 20 IIBD CCOc1ccc(C2(CNC(=O)c3ccc(SC)c([N+](=O)[O-])c3)CCOCC2)cc1 508771687 FGTRIRNTUKIANC-UHFFFAOYSA-N 430.526 4.194 5 20 IIBD O=C(CCc1nc2ccccc2n1-c1ccccc1)NCCNc1ccc([N+](=O)[O-])cc1 509557350 NWRIQXMDDUZOSG-UHFFFAOYSA-N 429.480 4.095 5 20 IIBD Cc1c(Br)cc(C(=O)NC2(c3ccc(F)cc3)CCOCC2)cc1[N+](=O)[O-] 510549559 XEUFIIPNRIXWNO-UHFFFAOYSA-N 437.265 4.241 5 20 IIBD C[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(NC(=O)C2CC2)cc1 510841711 HHQZTDOPQIFUJW-NSHDSACASA-N 434.399 4.427 5 20 IIBD Cc1c(NC(=O)[C@@H](C)N(C)Cc2ccc(OCC(F)(F)F)cc2)cccc1[N+](=O)[O-] 511139184 HEHNXZUOHLCERL-CQSZACIVSA-N 425.407 4.303 5 20 IIBD C[C@H](NCC1(c2ccc(F)cc2)CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 513196615 PYOLIOHALQHZJB-AWEZNQCLSA-N 435.883 4.052 5 20 IIBD CC(C)NC(=O)c1ccc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1 515691916 JDDZQKVODYLIMB-IAGOWNOFSA-N 438.528 4.468 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cccc(Cn3cncn3)c2)cc1 515878757 XHZMZNGCYKEBTE-UHFFFAOYSA-N 445.435 4.288 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1C[C@@H]2CCCN2c2ccccc21 516129385 FQJOFUCIOWUONT-HNNXBMFYSA-N 434.418 4.431 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)c1 516319884 GRIQTJVRMCYJMG-QGZVFWFLSA-N 438.267 4.154 5 20 IIBD Cc1cccn(Cc2c(F)cccc2NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1=O 516603927 IJNTZPIMOAQYJE-UHFFFAOYSA-N 447.470 4.265 5 20 IIBD C[C@]12CCCN1C[C@@H](c1noc(-c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)n1)OC2 516684643 HPXMGRMRPWAFSE-NZQKXSOJSA-N 435.484 4.183 5 20 IIBD Cc1ccc2c(C3=CCN(C(=O)c4ccn(-c5ccc([N+](=O)[O-])cc5)n4)CC3)c[nH]c2c1 520055963 RYVAESLHBAGZDH-UHFFFAOYSA-N 427.464 4.500 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2C)c([N+](=O)[O-])cc1OC 521325353 GWMJOPZGUWQLOA-UHFFFAOYSA-N 441.484 4.235 5 20 IIBD C[C@H]1CCCN(Cc2ccc(CNc3ccc(C(=O)c4nccn4C)cc3[N+](=O)[O-])cc2)C1 521499487 WSARFPXPRGARFY-SFHVURJKSA-N 447.539 4.403 5 20 IIBD CCCCc1nc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2[nH]1 522569089 DBYUWNUQAXXAMX-OAQYLSRUSA-N 449.511 4.365 5 20 IIBD CC(C)(NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cccs1 523964117 RJDJBYASEDFHAJ-UHFFFAOYSA-N 445.522 4.122 5 20 IIBD Cc1cc(Br)cc2c1N(C(=O)c1ccn(-c3cccc([N+](=O)[O-])c3)n1)CCC2 524459580 LNIAVFLOPLFPOO-UHFFFAOYSA-N 441.285 4.444 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](Cc1ccccc1)c1ccccc1F 525386989 TXBGFJXKVYLSRU-LJQANCHMSA-N 430.457 4.005 5 20 IIBD O=C(Nc1ccc(Oc2ccc(Cl)cn2)cc1)c1cc([N+](=O)[O-])cc2c1OCCO2 525722080 XZFIPHSJXGATCK-UHFFFAOYSA-N 427.800 4.459 5 20 IIBD C[C@@H](c1ccccc1Br)N(C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 533099578 KRIHWGHFXJDKNR-ZDUSSCGKSA-N 434.290 4.348 5 20 IIBD O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 537760583 OUVCBEFLMUAVKI-LJQANCHMSA-N 430.464 4.153 5 20 IIBD Cc1nnc(N(CCC(C)C)C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c2ccccc12 537900318 BSTNQTCPLUWFPP-UHFFFAOYSA-N 436.468 4.311 5 20 IIBD C[C@H](N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](OC1CCOCC1)c1ccccc1 537953177 JIYHKTPOGGUWJR-YTZAWJCFSA-N 441.528 4.227 5 20 IIBD CO[C@H](c1ccccc1F)[C@@H](C)Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl 539393296 UAEDWBHUDDKIFY-BLVKFPJESA-N 432.839 4.121 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 540845841 NAWOOKMKISOTFU-INIZCTEOSA-N 429.546 4.259 5 20 IIBD Cc1cc(C(=O)NCC(=O)Nc2ccccc2O[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] 541149581 KCORXYATDOTJBD-QGZVFWFLSA-N 433.464 4.412 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(Br)cc2C(C)=O)c([N+](=O)[O-])cc1OC 541405790 DDNVIWBEQPFZTH-UHFFFAOYSA-N 437.246 4.220 5 20 IIBD C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F 542528710 ZECUKWCTLJQMLK-QWRGUYRKSA-N 427.245 4.486 5 20 IIBD Cc1ccc(-c2noc([C@H](C)N[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)n2)cc1F 542610332 KRDHWHQBEUMSFO-KBPBESRZSA-N 427.436 4.079 5 20 IIBD COc1cc(F)c([C@@H](C)NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 543120442 GHKQFIUOOIIZRY-SNVBAGLBSA-N 428.869 4.374 5 20 IIBD Cc1nnc(-c2cccc(-c3nc(Cc4ccc([N+](=O)[O-])cc4Br)no3)c2)o1 545013191 OEFFTKJZRNXWCR-UHFFFAOYSA-N 442.229 4.357 5 20 IIBD O=C1Nc2ccccc2O[C@H]1Cc1nc(-c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)no1 545050083 DHLJJULZBJLAAZ-FQEVSTJZSA-N 444.403 4.379 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 549459306 HKRVSYDIDXTQBG-UHFFFAOYSA-N 432.402 4.405 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCCO[C@H](C(C)C)C2)c([N+](=O)[O-])c1 549684825 QRIUORVNBPMULH-QFIPXVFZSA-N 447.557 4.061 5 20 IIBD CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOC2(CCCCCC2)C1 549779362 ITYCFDBMASDCCO-UHFFFAOYSA-N 443.548 4.210 5 20 IIBD CC[C@@H]1Oc2cc([C@H](C)NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)ccc2NC1=O 551275312 DBNXQWXNBRGZRK-QFYYESIMSA-N 437.374 4.214 5 20 IIBD Cc1cc(Br)cc(C)c1N1CCC[C@H](Nc2ncc([N+](=O)[O-])s2)C1=O 553386472 OCFIDJZKOCEOIW-LBPRGKRZSA-N 425.308 4.038 5 20 IIBD CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] 553485481 RKFFSSKRAKMTNW-UHFFFAOYSA-N 425.363 4.288 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CC[C@@H](N4CCCC4)[C@@H]3C)cc2[N+](=O)[O-])n1 553776605 ORJJTHJSFNDPEG-GOEBONIOSA-N 432.571 4.210 5 20 IIBD C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](c1cncc(Br)c1)C1CC1 556608607 ITWBOPURGFRNML-BLVKFPJESA-N 433.306 4.210 5 20 IIBD CC(=O)Nc1cccc(-n2c(SCCOc3ccc([N+](=O)[O-])cc3)nnc2C2CC2)c1 557524798 RTEAQLAXUZVFLC-UHFFFAOYSA-N 439.497 4.182 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(Nc2cnn(C(C)C)c2)c([N+](=O)[O-])c1 559720187 ZQKCJUFTOCXMNQ-UHFFFAOYSA-N 429.502 4.331 5 20 IIBD Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N(C)CCc1ccccc1[N+](=O)[O-] 560720517 LLULDRLXNXQPLA-UHFFFAOYSA-N 431.496 4.041 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCCc1c[nH]c2cccc(Br)c12 569773152 MWIUYEZDBLUZIQ-UHFFFAOYSA-N 441.285 4.152 5 20 IIBD Cc1cccc(COc2ccc(NC(=O)C(=O)NCc3cccc([N+](=O)[O-])c3)c(C)c2)c1 574540100 IEOAVGXDJHRCBT-UHFFFAOYSA-N 433.464 4.046 5 20 IIBD Cc1cccc(C(=O)N(CCc2ccc(Cl)cc2)C[C@@H](O)C(F)(F)F)c1[N+](=O)[O-] 578632943 VVILIVDGOSRJIN-MRXNPFEDSA-N 430.810 4.165 5 20 IIBD Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 579987924 MHPZSSQRCOCPAV-MRXNPFEDSA-N 446.573 4.142 5 20 IIBD Cc1ccc(Nc2nc(CN3CCN(C(=O)c4ccccc4[N+](=O)[O-])CC3)cs2)cc1 580652491 HCSFVAPXODDMIO-UHFFFAOYSA-N 437.525 4.061 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1Cc2cnn(-c3ccccc3)c2C1 582025358 KZONGZDVBTWXPM-UHFFFAOYSA-N 448.426 4.434 5 20 IIBD Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cccc1C(=O)N1CCOCC1 583758191 YPPCOKRVQCVXNC-UHFFFAOYSA-N 443.525 4.128 5 20 IIBD Nc1ccc(-c2noc(C3CCN(c4noc5ccc(Cl)cc45)CC3)n2)cc1[N+](=O)[O-] 584246363 NWBPWJCCOQBVHA-UHFFFAOYSA-N 440.847 4.406 5 20 IIBD C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 603919891 FCIZYZCYUZXXLC-LJQANCHMSA-N 448.567 4.253 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCc2[nH]c3ccc(Cl)cc3c2C1 609197068 KFCJTDGZVMCOHD-LBPRGKRZSA-N 428.876 4.123 5 20 IIBD O=C(N[C@@H]1CCN(CC2CC2)C1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 609383358 MIKLRUNIUAHEEF-GOSISDBHSA-N 428.920 4.074 5 20 IIBD CN(CCOc1ccccc1F)C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 609603728 FEPFWRUOFNKNOY-UHFFFAOYSA-N 432.395 4.382 5 20 IIBD CC(C)(C)Oc1ccccc1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 609658637 SLHCYQHVMUCQBB-UHFFFAOYSA-N 429.292 4.335 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1nnc(Cc2ccc(F)cc2)s1 609723852 GTWQGDJZIJAGPV-UHFFFAOYSA-N 436.852 4.237 5 20 IIBD CNC(=O)c1cccc(NC(=O)[C@@H](C)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1 609769559 RZRUBEOZKDOEAX-OAHLLOKOSA-N 434.452 4.186 5 20 IIBD Cc1noc(CSc2ccc(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)cc2)n1 610046416 HUMCOVYEIWUUFT-UHFFFAOYSA-N 426.498 4.331 5 20 IIBD O=c1c(Cl)c(NCCCCc2ccc([N+](=O)[O-])cc2)cnn1-c1nc2ccccc2[nH]1 610076577 VOJYWPCLXZQVMH-UHFFFAOYSA-N 438.875 4.105 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCCc1ccc(-c2ccccc2)cc1 610809535 KPLHPRXEHGHSKU-UHFFFAOYSA-N 445.475 4.309 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 611495833 BFEUQZNSWRSCQF-GOSISDBHSA-N 438.311 4.015 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)c1 612634176 GZBLEXYFZUNYIC-UHFFFAOYSA-N 449.535 4.096 5 20 IIBD O=C(Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)Nc1ccccc1F 728004757 FRLIIVAQBRPMIV-UHFFFAOYSA-N 438.371 4.076 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)[C@H]1CCOc2ccccc21)c1cccc([N+](=O)[O-])c1 728188886 RVDVKVJHKRFXMY-RXVVDRJESA-N 438.480 4.089 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(OCc2ccccc2)cc1 730603887 IYJGRCKOQCUFBT-UHFFFAOYSA-N 436.376 4.122 5 20 IIBD COc1ccccc1C[C@@H](C)CC(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730708910 SPIQVHAGFLHVNX-IEBWSBKVSA-N 440.496 4.020 5 20 IIBD O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(COc2ccccc2)cc1 731501420 CZRQZAWNNVVHJF-QFIPXVFZSA-N 432.432 4.136 5 20 IIBD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc([N+](=O)[O-])c1 732332069 LXMSPZHDFMYPJE-LLVKDONJSA-N 447.419 4.489 5 20 IIBD CC1CCN(c2ccc(NC(=O)CCc3nc(-c4ccc([N+](=O)[O-])cc4)no3)cc2)CC1 733733476 XMBHBKURTOJPQY-UHFFFAOYSA-N 435.484 4.452 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)c1cc([N+](=O)[O-])c[nH]1 735480340 FVOZARHHTOMQTN-UHFFFAOYSA-N 434.767 4.346 5 20 IIBD CN1C(=O)CC[C@H](COC(=O)CSc2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc(Cl)c1 740597563 MFLYIVFWCIIBIH-QVKFZJNVSA-N 448.928 4.493 5 20 IIBD O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)c1cc([N+](=O)[O-])ccc1Cl 740927249 VMAZYDOXDJTATN-UHFFFAOYSA-N 438.311 4.175 5 20 IIBD CSc1ccc(O[C@@H](C)C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 740996237 RBJKXVPUPUYGOO-RYUDHWBXSA-N 438.889 4.308 5 20 IIBD CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C 741933951 CIFLURKONDOXJZ-QGZVFWFLSA-N 431.876 4.199 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N(C)Cc2nccn2Cc2ccccc2)CC1 742785201 PWGUBBBYXRNNMB-UHFFFAOYSA-N 447.539 4.348 5 20 IIBD CC(C)c1nn(C)c2sc(C(=O)OCC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])cc12 745533961 SPRRYDMIZDIFPA-UHFFFAOYSA-N 436.877 4.115 5 20 IIBD C[C@@H](OC(=O)Cc1cc(F)ccc1F)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 745545324 KGBFVORCFGHUGJ-LLVKDONJSA-N 447.419 4.109 5 20 IIBD Nn1c(SCc2cc(Cl)ccc2[N+](=O)[O-])nnc1-c1ccccc1Br 746390859 REYMNTBCHXGJFD-UHFFFAOYSA-N 440.710 4.275 5 20 IIBD CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC(c1ccccc1)c1ccccc1 746429859 VVNKGZGNPOBDAA-UHFFFAOYSA-N 441.509 4.021 5 20 IIBD Cc1c(C(=O)NCc2ccccc2CN2CCCC[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748621092 GTDXWWVBYIPIEF-OAHLLOKOSA-N 440.500 4.424 5 20 IIBD Cc1c(C(=O)OCC(=O)N[C@H](c2cccs2)C(C)(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748944845 QJWXCSKFLIKMRO-GOSISDBHSA-N 449.485 4.242 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)O[C@@H](c1ccccc1)c1nc(-c2ccccc2)no1 749055341 POHPBGPLEBONCI-NRFANRHFSA-N 449.394 4.496 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)cc1[N+](=O)[O-] 752235690 UJDMZJAEXFFNBJ-ZDUSSCGKSA-N 435.889 4.266 5 20 IIBD CCCCOc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2Br)cc1OC 758059477 YZDRUISSEQSOCX-UHFFFAOYSA-N 437.290 4.475 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccccc1[C@H](O)C(F)(F)F 758165364 MSKOZGDCQYETHD-ZDUSSCGKSA-N 445.202 4.298 5 20 IIBD C[C@@H](OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)Nc1ccc(Cl)cc1Cl 758742309 YOXNJGIMQJFJLM-SNVBAGLBSA-N 436.251 4.496 5 20 IIBD CCOc1ccc(NCc2ccc(Cl)c([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCCC1 764599087 FHGBAIBFCANGFS-UHFFFAOYSA-N 439.921 4.044 5 20 IIBD COc1cc(Br)c(COC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1OC 766227703 ASQXJQDIANLCHH-UHFFFAOYSA-N 447.241 4.280 5 20 IIBD O=C(Nc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1)c1ccccc1 766459241 KLHGAVFECJMEAJ-UHFFFAOYSA-N 449.444 4.163 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 767252765 ZZNTWAPOKQBWNQ-ZDUSSCGKSA-N 432.395 4.239 5 20 IIBD CCc1[nH]nc(C(=O)Nc2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)c1[N+](=O)[O-] 767654766 AGVWBXFVWXUJOS-UHFFFAOYSA-N 443.382 4.498 5 20 IIBD O=[N+]([O-])c1cc(CN2CCC(n3cc(Br)cn3)CC2)ccc1Br 769400614 WYNQSINDCWNALW-UHFFFAOYSA-N 444.127 4.153 5 20 IIBD Cc1c(OC(=O)CSc2nnc(-c3ccco3)n2Cc2ccco2)cccc1[N+](=O)[O-] 769677495 QVKKGAKBIIXSIF-UHFFFAOYSA-N 440.437 4.094 5 20 IIBD O=C(Cc1noc(-c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)n1)Nc1cccc2ccccc12 770988778 YLCKPFPMSMVCDV-UHFFFAOYSA-N 440.419 4.165 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(OC(F)F)c2cccnc12 772607138 LBXGPFKGHUEHNF-UHFFFAOYSA-N 432.339 4.224 5 20 IIBD C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 776514120 UYGGDWAUMXFHSM-UONOGXRCSA-N 446.529 4.188 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C 777926478 DRVVHODDFFTGLW-HNNXBMFYSA-N 449.504 4.166 5 20 IIBD Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)c(-c2nc(C3CC3)no2)c1 777936667 WQCLVIGNEQEXRP-UHFFFAOYSA-N 432.433 4.079 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1OS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 777996314 GVDKUQOLZYGZOT-LLVKDONJSA-N 448.280 4.085 5 20 IIBD O=C(COC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1SC(F)F 778170132 QFNPOCLBNXGSGB-UHFFFAOYSA-N 432.351 4.183 5 20 IIBD O=C(Nc1cc(F)c(N2CCCCC2)c(F)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 779129051 DUSKCKFRAPPQOG-UHFFFAOYSA-N 427.411 4.301 5 20 IIBD COc1ccc2cccc(CC(=O)OCC3CCN(c4ncccc4[N+](=O)[O-])CC3)c2c1 780336165 HQDRMYMETXKYHR-UHFFFAOYSA-N 435.480 4.154 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 780680839 JGEKVKLTTICMRC-GOSISDBHSA-N 434.537 4.304 5 20 IIBD COC(=O)/C=C\c1ccc(OCCOC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 781259498 MRFZPHORUUYJPJ-JYRVWZFOSA-N 443.455 4.103 5 20 IIBD O=C(CCCCc1ccc(Cl)c(Cl)c1)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 781838061 NBAQEPLREPUOFH-UHFFFAOYSA-N 449.287 4.259 5 20 IIBD O=C(CCCNC(=O)c1cccc([N+](=O)[O-])c1Br)Nc1ccc(Cl)cc1 782167847 UCHFVDZEJOEBHI-UHFFFAOYSA-N 440.681 4.159 5 20 IIBD O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 783299971 POXXKYSGHAFVLU-UHFFFAOYSA-N 443.818 4.435 5 20 IIBD Cn1cc(C(=O)Nc2cc(Br)cnc2Cl)c(-c2ccc([N+](=O)[O-])cc2)n1 787953274 HEUJSVFNZCRBKZ-UHFFFAOYSA-N 436.653 4.059 5 20 IIBD C[C@H]1CCCN(Cc2csc(NC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])n2)C1 790499687 YKLFHFPDOCEODL-NSHDSACASA-N 426.901 4.257 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCc1ccc(Br)cn1 790922114 SIGWUJADVYHHOD-UHFFFAOYSA-N 430.052 4.180 5 20 IIBD Cc1cccc2[nH]cc(CC(=O)N3CCc4c(Br)ccc([N+](=O)[O-])c4C3)c12 791174191 ISXMYFVCBSPTDT-UHFFFAOYSA-N 428.286 4.274 5 20 IIBD CC[C@](C)(O)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 793058038 RUWALFSQNAREOP-DEOSSOPVSA-N 441.528 4.021 5 20 IIBD Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)ccc1-c1ccncc1 794060205 NGXLJFQXZOXKGJ-UHFFFAOYSA-N 442.453 4.291 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 794602204 OXTCWLQKDMPSPO-UHFFFAOYSA-N 430.282 4.155 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Oc2ccc(CNC(=O)OC(C)(C)C)cc2)c1C 796032457 HVLXVSHUBCOMLR-UHFFFAOYSA-N 436.486 4.004 5 20 IIBD COc1c(C(=O)OC[C@@H]2CCC(=O)N(C)[C@@H]2c2cccc(Cl)c2)cccc1[N+](=O)[O-] 796724003 GTIPWKZTUCADON-IFXJQAMLSA-N 432.860 4.023 5 20 IIBD Cc1c(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 798011713 ZQUIGLGTFUBKEK-LSDHHAIUSA-N 434.246 4.168 5 20 IIBD C[C@@H](Nc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 799929163 ODZLQRQLIHWJTI-CQSZACIVSA-N 442.453 4.477 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 800149605 QHOSPHQNZCZAJI-UHFFFAOYSA-N 449.504 4.248 5 20 IIBD C[C@]1(C2CC2)NC(=O)N(c2ccc(CNc3ccc([N+](=O)[O-])c(OC(F)F)c3)cc2)C1=O 804703173 UJSLWJVFSBVPEG-OAQYLSRUSA-N 446.410 4.033 5 20 IIBD CN(Cc1nc(-c2cccs2)no1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 806367372 MJSQQVVXRQPBFN-UHFFFAOYSA-N 438.263 4.133 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(-c4sc(N5CCCC5)nc4Cl)n3)c2c1 809432999 BIKPCJRRSLYRAJ-UHFFFAOYSA-N 430.877 4.427 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 809915945 SYWQUWNHYZCQEU-IBGZPJMESA-N 426.901 4.407 5 20 IIBD Cc1cc(NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)ccc1OC(C)C 810397784 AAUOVAFHHGQSRP-UHFFFAOYSA-N 436.262 4.030 5 20 IIBD Cc1cccc(Br)c1C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 811272802 WTAIEPKRNROANT-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD C[C@H](OC(=O)c1cc(N(C)C)c2ccccc2n1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 811323708 COSKMUYKMADQGR-ZDUSSCGKSA-N 433.424 4.177 5 20 IIBD O=C(N[C@@H]1CCN(c2ccccc2Cl)C1=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 812992195 WIEDGTCMQHVJJY-CYBMUJFWSA-N 428.659 4.090 5 20 IIBD O=C(Nc1cc(Cl)cnc1Br)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 813371523 FWDTUWMSMXRSJZ-UHFFFAOYSA-N 425.670 4.258 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCC2(CCN(Cc3ccccc3)CC2)C1 814312239 ZPRRAQDIDOOHDT-UHFFFAOYSA-N 442.947 4.446 5 20 IIBD CC(C)(NC(=O)c1nc(Br)ccc1Br)c1ccccc1[N+](=O)[O-] 817038543 SGHSFZMGTFUUDQ-UHFFFAOYSA-N 443.095 4.180 5 20 IIBD CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(=O)c1sc2ccccc2c1Cl 821603374 VOGHZHMIHXGRAD-UHFFFAOYSA-N 439.902 4.013 5 20 IIBD COc1ccc(-c2nccnc2NC(=O)c2cccc([N+](=O)[O-])c2Br)cc1 821629194 BXIBRZOLTUPOIF-UHFFFAOYSA-N 429.230 4.075 5 20 IIBD O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1cc([N+](=O)[O-])c(F)cc1F 825487423 CSBFWSFMHBCAPX-GOSISDBHSA-N 425.391 4.373 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H]1c1nc(-c2ccc(Br)o2)no1 904625614 RMHWDCHFZXZCHB-QMMMGPOBSA-N 439.247 4.039 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1c1noc(-c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)n1 904706167 OACFXWUBDMFSIC-MRXNPFEDSA-N 444.423 4.042 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2cc(-c3ccco3)[nH]n2)c2ccccc2)c([N+](=O)[O-])c1 913297547 YDWGQDLLPXREDR-OAQYLSRUSA-N 446.419 4.423 5 20 IIBD CCN(Cc1cc(Br)ccc1F)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 914480534 RBHUCNRHJBPDIR-UHFFFAOYSA-N 440.225 4.375 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)Cc3ccccc3[N+](=O)[O-])cc2[N+](=O)[O-])C1 917101788 BJYSOOHZAHHAGF-HZPDHXFCSA-N 426.473 4.258 5 20 IIBD COc1ccccc1CN1C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)OC(C)C)=C1C 918127317 RRVUPJLSYMEOAI-OAQYLSRUSA-N 439.468 4.096 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(COc2ccc(F)cc2)o1 918872187 FDEHOYLFKHXOCZ-UHFFFAOYSA-N 439.355 4.313 5 20 IIBD CC(C)(C)c1ccc(N2CCC(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)CC2)cc1 919767438 FFNSODVPYYDEFE-UHFFFAOYSA-N 439.512 4.062 5 20 IIBD O=C1CCCc2cc(C(=O)OCCOc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)ccc2N1 920148220 XKIYHGKYPZJCAT-UHFFFAOYSA-N 438.358 4.124 5 20 IIBD O=c1c(Cl)c(N2Cc3ccc([N+](=O)[O-])cc3C2)cnn1-c1cccc(C(F)(F)F)c1 1318724375 NQCIBEYFISKBSJ-UHFFFAOYSA-N 436.777 4.333 5 20 IIBD Cc1c(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cnc(Cl)c1Br 1321058933 DAMUBALBEWGLNL-UHFFFAOYSA-N 425.670 4.304 5 20 IIBD Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1N 1321439918 QKGJKBCDOYDTNS-UHFFFAOYSA-N 444.245 4.083 5 20 IIBD Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 1322263047 BQEDQDFUDNPVOF-UHFFFAOYSA-N 449.204 4.415 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)F)CCC3)cc2)c1 1790054271 HAJWMRHBCZIUKD-UHFFFAOYSA-N 442.491 4.157 5 20 IIBD COc1ccc(C)c(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])[nH]4)cc3)CCC2)c1 1790187287 RNHBEXKYDVWZRA-UHFFFAOYSA-N 448.479 4.301 5 20 IIBD Cn1ccc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccccc4[N+](=O)[O-])cc3)CCC2)c1 1792315721 URHKDALOERKBKW-KPKJPENVSA-N 444.491 4.394 5 20 IIBD CCCCC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C2 1801713075 NGKFMWXHCAERAO-WJMWBRGCSA-N 429.561 4.382 5 20 IIBD O=C(c1cccc(F)c1[N+](=O)[O-])N1CCC([C@H]2CCCCN2C(=O)C2CCCC2)CC1 1826255583 GJCBDFISQZPAOI-HXUWFJFHSA-N 431.508 4.157 5 20 IIBD C[C@@H]1C[C@@]1(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830224818 VVLCDGCTRWPNRU-ZFUCPZCZSA-N 431.508 4.013 5 20 IIBD O=C(Cc1cc([N+](=O)[O-])ccc1F)N1CCC([C@@H]2CCCCN2C(=O)CC2CCC2)CC1 1832835536 XYSPFCNWUGPOML-QFIPXVFZSA-N 445.535 4.086 5 20 IIBD Cc1cc(CCCC(=O)N2CC3(CCCN3C(=O)C3(C)CCCC3)C2)c([N+](=O)[O-])cc1F 1841116040 JZLPFFNEBXMSSL-UHFFFAOYSA-N 445.535 4.149 5 20 IIBD CCOC(=O)Nc1ccc(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 10702904 BYJTUNWDADCACS-LLVKDONJSA-N 435.820 4.001 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cc(Br)ccc1Cl 11481401 RUXYBHMWIKPYQM-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD O=C(c1ccccc1)c1ccc(N2CCC[C@H](c3nnc4ccccn34)C2)c([N+](=O)[O-])c1 18175079 LEOATBTWIXTHDX-IBGZPJMESA-N 427.464 4.253 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1c(-c2ccccc2Cl)noc1C 28784684 YLRRSHIDWHJKFV-UHFFFAOYSA-N 429.816 4.316 5 20 IIBD COC(=O)CCCN(C)C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 29439319 YYBFGPFUNXJXSJ-UHFFFAOYSA-N 445.522 4.381 5 20 IIBD CC(C)CCSc1ccc(C(=O)Nc2ccc(N3CCOCC3)cn2)cc1[N+](=O)[O-] 30973818 BZEIQFKQERXEBJ-UHFFFAOYSA-N 430.530 4.217 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 32434002 XRZCIFBNVBRMCX-FQEVSTJZSA-N 432.885 4.325 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)NC3CCN(c4ncccn4)CC3)cc2[N+](=O)[O-])cc1 60414298 FSDBFADYCMTUNV-UHFFFAOYSA-N 449.536 4.243 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1cc2ccccc2o1 61999973 CQOUYZYSAAPOMR-QFIPXVFZSA-N 429.432 4.494 5 20 IIBD COc1cc(C(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)c([N+](=O)[O-])cc1OC 63990802 NYARBSMCTKZOJI-UHFFFAOYSA-N 432.436 4.262 5 20 IIBD O=C(Nc1cccc(OCCn2cncn2)c1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 108301739 QYWPJNJLOWQACM-UHFFFAOYSA-N 445.435 4.310 5 20 IIBD C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 111154250 ZDDNWHCSEDXHTP-SFHVURJKSA-N 446.507 4.101 5 20 IIBD COc1cc(CCNC(=O)c2csc(-c3ccc(C)cc3C)n2)c([N+](=O)[O-])cc1OC 195735002 NYKWOIJUPLPOIK-UHFFFAOYSA-N 441.509 4.325 5 20 IIBD Cc1nc(CN2CCC(CNC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC2)oc1C 303427003 AVNRUAGNPVUDMH-UHFFFAOYSA-N 428.533 4.139 5 20 IIBD CCOc1nc(C(F)(F)F)ccc1C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 428637494 DNCXJAKIVYAJEK-QGZVFWFLSA-N 427.404 4.295 5 20 IIBD Cc1c(NC(=O)C(=O)Nc2ccc(OCC3CC3)cc2)cc(Br)cc1[N+](=O)[O-] 430353984 GVHLNHJEALRZOW-UHFFFAOYSA-N 448.273 4.032 5 20 IIBD Cc1ccc(NCCCNC(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 434140131 DXKDOBNYSGBJGS-UHFFFAOYSA-N 442.491 4.149 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC(n3ccc(C)n3)CC2)c([N+](=O)[O-])c1 434494106 CGUXWFLAPPVZAG-HSZRJFAPSA-N 433.512 4.425 5 20 IIBD O=C(NCc1ccccc1F)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435517128 OSCWMDSOTBADTK-UHFFFAOYSA-N 431.470 4.202 5 20 IIBD COc1ccccc1OCCN(C)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436080859 NPWMSRMMVMCKFL-UHFFFAOYSA-N 438.430 4.119 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3C[C@H](C)OC[C@@H]3c3ccccc3)cc2)c(C)c1[N+](=O)[O-] 437382189 CVYCHLHKDSCEIW-KSFYIVLOSA-N 434.496 4.059 5 20 IIBD COc1cccc(C(C)(C)CNC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c1 441593220 WACRLWOJBABERS-UHFFFAOYSA-N 436.512 4.173 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccc(COCc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 441695649 BHBBWSMAVPXOCY-QGZVFWFLSA-N 433.464 4.128 5 20 IIBD CCc1[nH]nc(C(=O)N(Cc2ccc(OC)c(OC)c2)[C@H]2CCCC[C@H]2C)c1[N+](=O)[O-] 444341861 LSSIIHUOBBSLQX-PBHICJAKSA-N 430.505 4.119 5 20 IIBD O=C(NCc1ccc(OCc2ccccn2)cc1)c1sc(Br)cc1[N+](=O)[O-] 445173923 QLWOANGMAHOJEG-UHFFFAOYSA-N 448.298 4.323 5 20 IIBD CCOC(=O)[C@@H]1CCN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c2ccccc21 446242946 CKVBWLDAOAPPLK-OAHLLOKOSA-N 447.285 4.363 5 20 IIBD C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 446251615 AIZYDMJOJHRMFV-VLIAUNLRSA-N 440.887 4.251 5 20 IIBD Cc1ccc(-c2csc(NC(=O)c3nnn(CC4CCCC4)c3C)n2)cc1[N+](=O)[O-] 448128046 KVKWDJHVQHGQMI-UHFFFAOYSA-N 426.502 4.369 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)cc1[N+](=O)[O-] 460485698 FLDDUSGNCZKVMI-QGPMSJSTSA-N 429.477 4.136 5 20 IIBD C[C@H](NC/C=C\c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1OCCCO 463029036 QABOFVTVQHSSPI-QZDDGCDVSA-N 435.318 4.483 5 20 IIBD C[C@@H](C(=O)Nc1ccc(Cc2nnc3n2CCCCC3)cc1)c1ccc([N+](=O)[O-])cc1F 464113451 WSGUVAMURCFVLM-OAHLLOKOSA-N 437.475 4.385 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CC=C(c3ccc(Cl)cc3)CC2)c2ncccc12 464209243 QLYHGFIEPJDNDH-UHFFFAOYSA-N 429.885 4.274 5 20 IIBD COc1ccc(C2CCN(C(=O)c3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])CC2)cc1 465305667 JWGORIONAXCCDZ-UHFFFAOYSA-N 436.411 4.233 5 20 IIBD O=C(NCCCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 473439207 XNJTVBLDCNCAEE-UHFFFAOYSA-N 430.675 4.243 5 20 IIBD CNC(=O)c1cc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)ccc2[nH]1 473577038 MHBPMSVSXTVAHX-UHFFFAOYSA-N 430.420 4.480 5 20 IIBD Cc1cccc(I)c1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 475432917 VFRZORYUAQODSX-UHFFFAOYSA-N 448.163 4.362 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)N[C@H](CC1CCC1)c1ccccc1 478097457 PKDHEJGCNSBKJQ-MRXNPFEDSA-N 433.411 4.182 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 480077496 LFYRKEBVYAAHOT-MRVPVSSYSA-N 438.328 4.480 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 480179510 OGJOJEGVACBEAF-JTQLQIEISA-N 425.411 4.036 5 20 IIBD CCn1c(SC[C@@H](O)COc2cc(C)ccc2C)nnc1-c1ccc([N+](=O)[O-])cc1 480393811 MUEOAVDDKINPQW-SFHVURJKSA-N 428.514 4.022 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc(N2CCCCC2)c2ncccc12 480585614 YULMMVNLBIJTRF-UHFFFAOYSA-N 426.498 4.280 5 20 IIBD CCS[C@@H]1CCC[C@@H]1NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] 480984771 CPPONUHTTCHTRB-KBXCAEBGSA-N 437.543 4.043 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2cc(F)c(Br)cc2s1 481282350 GGNHLSLYYNFZNR-UHFFFAOYSA-N 426.223 4.367 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC2CCN(C3CCCC3)CC2)cc1[N+](=O)[O-])c1ccccn1 482645302 WAMNPZLLYWYTHP-KRWDZBQOSA-N 437.544 4.300 5 20 IIBD CCc1c(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cnn1-c1cccc(Cl)c1 482744509 KUKSFKGWEFGZJO-UHFFFAOYSA-N 436.859 4.434 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cccc(OCc3ccccc3C)c2)cc1[N+](=O)[O-] 483138914 KZRRTMQAWOROQE-UHFFFAOYSA-N 428.466 4.292 5 20 IIBD CC[C@@H](NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 483744601 PSTQASWHYPTGIQ-OAQYLSRUSA-N 441.509 4.427 5 20 IIBD C[C@H]1CCCCN1CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 485518559 LLTQOJORBTVNPX-HNNXBMFYSA-N 425.476 4.313 5 20 IIBD Cc1c(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)nnn1Cc1ccc(F)cc1F 485533911 YWCUIVFLSMSTCY-UHFFFAOYSA-N 441.438 4.411 5 20 IIBD CC[C@H](c1ccccc1)c1nnc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)s1 487466905 CECQEDDKCUWATG-OAHLLOKOSA-N 434.481 4.426 5 20 IIBD COc1ccc(NC(=O)CCSc2nnc(-c3cccc(Cl)c3)n2C)c([N+](=O)[O-])c1 488890955 AXPXLHKRNRSKPW-UHFFFAOYSA-N 447.904 4.173 5 20 IIBD O=[N+]([O-])c1cccc(CN(C2CC2)S(=O)(=O)c2cccc(Cl)c2Br)c1 493787295 BTVNHACWALJBNT-UHFFFAOYSA-N 445.722 4.364 5 20 IIBD CCOC(=O)C[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(F)cc1 495500082 TVKIZLQTWDWKDD-KRWDZBQOSA-N 443.456 4.282 5 20 IIBD O=C(Nc1ccc2ccccc2n1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 497501743 RNRZJAFJOZVNKC-UHFFFAOYSA-N 448.460 4.196 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(CN3CCC(C)CC3)cc2)cc1OC 497880550 JHTKFXZVTLSYQW-UHFFFAOYSA-N 441.528 4.164 5 20 IIBD CC(C)[C@@H](NC(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1Cl 497988566 LEDSIGYAMKCFAD-GOSISDBHSA-N 438.311 4.074 5 20 IIBD Cc1ccc(C[C@H]2CCCN2C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 499252504 PMDQMBDBHXKYQL-GOSISDBHSA-N 437.525 4.030 5 20 IIBD CC(C)(COc1ncccc1Br)NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 501066365 DRSFEVNABKFEFJ-UHFFFAOYSA-N 447.289 4.355 5 20 IIBD CCN(C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)[C@H](C)c1ccc(F)cc1 502448520 AXTSITAIJGDCFK-CYBMUJFWSA-N 429.477 4.237 5 20 IIBD O=C1[C@H](N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)CCN1c1cccc([N+](=O)[O-])c1 504408141 MFMZUMZFOXBWHV-FGZHOGPDSA-N 436.899 4.322 5 20 IIBD C[C@H]1CCCN(c2nnc(SCc3c(F)cccc3[N+](=O)[O-])n2Cc2ccco2)C1 504517986 ICIIWVHLMURMTD-AWEZNQCLSA-N 431.493 4.495 5 20 IIBD Cc1nn(CCC(=O)N2CCC(C)(c3cccc(Br)c3)CC2)c(C)c1[N+](=O)[O-] 509296192 XVZJRUACALRXDS-UHFFFAOYSA-N 449.349 4.141 5 20 IIBD Cc1c(Br)cc(C(=O)N[C@@H](C)c2nc(-c3cccc(F)c3)no2)cc1[N+](=O)[O-] 510059046 XDMXXJABJXYVMN-JTQLQIEISA-N 449.236 4.346 5 20 IIBD O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 511546247 PFLTYNYSPSTATD-GOSISDBHSA-N 440.397 4.259 5 20 IIBD COc1ccc(CN(CC2CCC2)C(=O)NCCc2cccc([N+](=O)[O-])c2)c(OC)c1 511772976 VACUGHKJDSKIAW-UHFFFAOYSA-N 427.501 4.166 5 20 IIBD Cc1cccc(Oc2ccccc2CNC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)c1 517357322 HEWMAIREUCUUNO-UHFFFAOYSA-N 440.477 4.029 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1ccccc1Oc1cccc(F)c1 517460554 KHKVILSEFKDCPW-UHFFFAOYSA-N 432.429 4.013 5 20 IIBD Cc1c(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)cccc1C(=O)Nc1ccccc1 518313816 QFHYBWKXEWTAGS-UHFFFAOYSA-N 434.452 4.356 5 20 IIBD COc1cc(OCC(=O)NCc2ccc(-c3nc4ccccc4s3)o2)ccc1[N+](=O)[O-] 519039727 UJDOQJLBWCFUJQ-UHFFFAOYSA-N 439.449 4.168 5 20 IIBD COCCN([C@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C 520155584 NIZOVOBUOPQDCR-CQSZACIVSA-N 446.447 4.320 5 20 IIBD COc1cc(CN[C@H]2CCN(C3CCCC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 521842999 VHWQUTGIQAMJOC-FQEVSTJZSA-N 425.529 4.289 5 20 IIBD CCN(CCNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1ccccc1C 522620156 SMXWDIGKWXHZTB-UHFFFAOYSA-N 427.892 4.041 5 20 IIBD CC(C)n1ccc(CSc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])n1 522649276 AETHARYXAULRAW-UHFFFAOYSA-N 438.575 4.229 5 20 IIBD CC[C@@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccc(F)cc1F 524583148 HSVBDZGWBWFAOS-OAHLLOKOSA-N 433.440 4.034 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N2C[C@H](C)S[C@@H](C)C2)c([N+](=O)[O-])c1 524684856 YUAUOLWUABYMPE-HOTGVXAUSA-N 435.571 4.140 5 20 IIBD COc1cc(C(=O)N2CCc3ccccc3[C@@H]2C)c([N+](=O)[O-])cc1OCc1cscn1 531132351 BPGHCYSTEPMCBO-AWEZNQCLSA-N 439.493 4.398 5 20 IIBD CN1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c2cc(Cl)ccc21 532614429 WCUZAISLRBGGKG-UHFFFAOYSA-N 449.838 4.302 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCC[C@@H]1c1nc2ccccc2n1C 533387502 IVKKDXSXRWZVJU-HXUWFJFHSA-N 437.500 4.046 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1cc(Br)cc(Cl)c1O 534169106 NXRSWFXMJJAMSL-UHFFFAOYSA-N 442.074 4.171 5 20 IIBD CC(C)c1cc(Br)ccc1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 535522043 CBXKFYQQFQBIHM-UHFFFAOYSA-N 434.290 4.239 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC1CCN(c2nc3ccccc3s2)CC1 536123151 DJIOTCPRXNFGHM-UHFFFAOYSA-N 435.509 4.014 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cccc(C(=O)N2CCc3ccccc32)c1 536129308 ZCBGGOHLJCMKSR-UHFFFAOYSA-N 440.459 4.460 5 20 IIBD COc1ccc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3Br)s2)cc1 536496657 IELDOXFEDSNOQZ-UHFFFAOYSA-N 435.259 4.137 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(NC(=O)c2ccccc2)CC1 537090799 ZSBOOQFWYYBFKJ-UHFFFAOYSA-N 427.526 4.130 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)CN(C)C)cc1 537455434 XVVVFSMPKGRCTN-UHFFFAOYSA-N 430.530 4.239 5 20 IIBD CN(CCCO)C1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 537636074 YXLOYCGTCSNNNL-UHFFFAOYSA-N 433.936 4.319 5 20 IIBD COc1ccccc1CN(Cc1cccs1)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] 542120443 COGWDNFQOOQFHX-UHFFFAOYSA-N 438.552 4.337 5 20 IIBD C[C@@H](N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)c1ccon1 542649146 USUWADOJRFIICB-XIKOKIGWSA-N 445.273 4.376 5 20 IIBD COC(=O)CCSc1ncccc1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 543391013 GWQJNGIPGWVYJK-UHFFFAOYSA-N 444.494 4.021 5 20 IIBD COc1cccc(Oc2ncccc2CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c1 544399477 CLLWETZJNNTMSY-CQSZACIVSA-N 425.416 4.350 5 20 IIBD COc1cc(Br)ccc1-c1noc(-c2cc(O)nc3ccc([N+](=O)[O-])cc23)n1 545786798 VCHGUFXSRAEYCO-UHFFFAOYSA-N 443.213 4.337 5 20 IIBD CCOCc1ccc(-c2noc(-c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)n2)cc1 546339291 BUYXPCXSIQPIHG-UHFFFAOYSA-N 438.469 4.128 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(-c3nc(-c4ccc(N5CCOCC5)cc4)no3)cs2)c1 547120181 BKBYTSTVQYGEEB-UHFFFAOYSA-N 435.465 4.272 5 20 IIBD Cc1c(Cc2noc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)n2)cccc1[N+](=O)[O-] 547197273 KHVNLJVJAZJXDI-MRXNPFEDSA-N 430.873 4.186 5 20 IIBD COc1cccc(CN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C2CCC(O)CC2)c1 549410022 ZSZMEKLECJCCLB-UHFFFAOYSA-N 441.528 4.046 5 20 IIBD Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NC(=O)c1c[nH]nc1[N+](=O)[O-] 554888152 ISHCKEJVXGOYTD-MRVPVSSYSA-N 436.291 4.003 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCc2nccn2C)cc1 555814834 DUHLQFRETOQPAE-UHFFFAOYSA-N 445.273 4.231 5 20 IIBD Cc1c(NC(=O)CCN[C@H](c2cncc(Br)c2)C2CC2)cccc1[N+](=O)[O-] 556521209 ZDIZEEVLFBCUDA-IBGZPJMESA-N 433.306 4.130 5 20 IIBD CCC(C)(C)OCc1cccc(NC(=O)C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c1C 559038592 WPDSUASUGNJENP-UHFFFAOYSA-N 441.528 4.248 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1cccc(N2CCCC2)c1 560191647 XKSLTFQMEKNXCG-MRXNPFEDSA-N 438.528 4.308 5 20 IIBD COc1ccccc1-c1csc(C2CCN(c3cccc(C(N)=O)c3[N+](=O)[O-])CC2)n1 561341935 WXWSVSUHRXQZIW-UHFFFAOYSA-N 438.509 4.210 5 20 IIBD CC(=O)N(c1ccc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1)C1CC1 568071206 RWGGXJGWZPWTGV-UHFFFAOYSA-N 432.274 4.433 5 20 IIBD C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 572623563 LIUZYFRIXVTIIA-GTNSWQLSSA-N 434.374 4.092 5 20 IIBD Cc1nc(C(C)(C)NCc2cc(I)cc([N+](=O)[O-])c2)sc1C 574746083 JDXQABLPUBTPGP-UHFFFAOYSA-N 431.299 4.298 5 20 IIBD Cc1ccc(COc2c(C)cc(CN(C)c3nccc(C(N)=O)c3[N+](=O)[O-])cc2C)cc1 576038518 YWVRPFMJNWWEDZ-UHFFFAOYSA-N 434.496 4.229 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CNC1(Cc2ccc(F)cc2Cl)CCOCC1 578343185 DQZOZJBVLSFVIP-UHFFFAOYSA-N 435.883 4.016 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1SC 582089397 DQXBDLMDQXGKIP-CRAIPNDOSA-N 434.489 4.457 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cnn(-c3ccc(Cl)cc3)c2C)cc1OC 582871009 UXRSBICNDGTTEQ-UHFFFAOYSA-N 430.848 4.402 5 20 IIBD CN1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 588824693 KVBFEUNWGINTBD-LJQANCHMSA-N 433.593 4.226 5 20 IIBD O=C(Nc1nnc(C2CCOCC2)s1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 590522218 QPTMGGDOLDOHIP-UHFFFAOYSA-N 442.522 4.744 5 20 IIBD CCNC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)c1 603609255 UKQYRJPMZTWDGU-UHFFFAOYSA-N 435.436 4.398 5 20 IIBD C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 603637002 QRHAQUKJEVIAEL-JTQLQIEISA-N 427.240 4.469 5 20 IIBD Cc1ccc(-c2csc(NC(=O)CCn3cc(Br)cn3)n2)cc1[N+](=O)[O-] 603952425 VVONBKIAQJRERB-UHFFFAOYSA-N 436.291 4.015 5 20 IIBD Cc1c(C(=O)N(Cc2ccco2)c2ccc(F)cc2F)nnn1-c1cccc([N+](=O)[O-])c1 603996400 CQFYERMRPFUTIC-UHFFFAOYSA-N 439.378 4.202 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 604032801 PBXYAAVSZBFBMY-UHFFFAOYSA-N 444.553 4.385 5 20 IIBD COCCCN1CCC(NC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 608891440 FNEXASXAXFXXIZ-UHFFFAOYSA-N 443.569 4.285 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 609297235 WPRBIEINZBDBPX-UHFFFAOYSA-N 449.438 4.054 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)no1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 609449492 YCURFLBHDINIML-QFIPXVFZSA-N 438.459 4.059 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2n[nH]c(-c3ccccc3F)n2)cc1[N+](=O)[O-])c1ccccn1 609477102 OGQGFPSGVHVVHZ-ZDUSSCGKSA-N 447.430 4.339 5 20 IIBD Cc1sc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)nc1-c1ccccc1 609496420 VFRCALXOKKHKBG-AWEZNQCLSA-N 442.522 4.332 5 20 IIBD O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccn(-c2cccc(C(F)(F)F)c2)n1 610011148 OTAPHEARIISMNW-UHFFFAOYSA-N 442.357 4.442 5 20 IIBD O=C(Nc1ccccc1C(=O)N1CC(C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1Cl 610468792 VQZFYQNCCBVBDN-UHFFFAOYSA-N 427.766 4.135 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccccc2SCC(F)(F)F)cc1[N+](=O)[O-] 610609083 KBARWZDZEINIAI-GFCCVEGCSA-N 441.431 4.374 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccccc1C(=O)N[C@@H](C)c1ccccc1 610679992 FUCLGMJWPOWXCT-INIZCTEOSA-N 448.479 4.145 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(OCc2ccc(F)cc2)CC1 611514061 ODAMNZPHHDEQHN-UHFFFAOYSA-N 435.883 4.321 5 20 IIBD COc1cccc(-c2nc(COC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])cs2)c1OC 725934687 GUTVDGCQZFBNNT-UHFFFAOYSA-N 436.392 4.371 5 20 IIBD CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 727990854 AVQSZNVGWHKDNZ-NCALTVRCSA-N 446.554 4.223 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 729573405 RGFGJVHNCBWTJU-UHFFFAOYSA-N 441.488 4.296 5 20 IIBD Cn1cc(C(=O)OCc2nnc(-c3cccc(Cl)c3)o2)c(-c2ccc([N+](=O)[O-])cc2)n1 730301398 QFWVARPMTHBMRB-UHFFFAOYSA-N 439.815 4.056 5 20 IIBD Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCCNc3ccccc3[N+](=O)[O-])c2c1 730459622 ZHCDYYMHIIITOR-UHFFFAOYSA-N 427.464 4.355 5 20 IIBD CCc1ccc(-n2nc(C(=O)O[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])c3c2CCC3)cc1 730852748 DCXOTRWDZRSJTK-OAHLLOKOSA-N 448.479 4.016 5 20 IIBD CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2cnc(C(C)(C)C)s2)NC(=S)N1C 731432405 ULDCNISTPSOQKH-MRXNPFEDSA-N 445.570 4.123 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 731632583 MSCHOIJRAFCNIW-OAQYLSRUSA-N 432.860 4.106 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)O[C@@H]1CCCN(C(=O)c2ccccc2Cl)C1 732609886 KHKZKWMHHBAGPH-OAHLLOKOSA-N 434.901 4.188 5 20 IIBD CCOC(=O)[C@H](C)NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 733137546 IDDSOIAWNGHLPP-NSHDSACASA-N 442.415 4.446 5 20 IIBD COc1cc(N2CCC(OC(=O)c3ccc(OCC4CC4)cc3)CC2)ccc1[N+](=O)[O-] 739373301 ZVCHJLXDWCOEHC-UHFFFAOYSA-N 426.469 4.218 5 20 IIBD CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NCc1cccc([N+](=O)[O-])c1C 742259134 TUWUZCFPVAIVRK-UHFFFAOYSA-N 434.562 4.368 5 20 IIBD O=C(OCc1cc(F)ccc1[N+](=O)[O-])[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 744362265 HDSFFFSCSREHNE-GOSISDBHSA-N 443.258 4.157 5 20 IIBD O=C(CCS(=O)(=O)c1ccc(F)cc1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 744383589 OVCRDTUYBVQPIC-UHFFFAOYSA-N 442.468 4.131 5 20 IIBD C[C@H](OC(=O)C1(c2cccc(C(F)(F)F)c2)CC1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 744941046 HSGRQZIUQFHBSH-NSHDSACASA-N 440.349 4.355 5 20 IIBD O=C(COC(=O)[C@H]1SCCc2ccccc21)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 745474932 KMLZJOOXFNXQCX-KRWDZBQOSA-N 440.399 4.126 5 20 IIBD C/C(=C\C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 745482922 JHJVNBLFURWKEY-YRNVUSSQSA-N 426.322 4.338 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@H](C)c1ccc(Br)s1 745640466 NZKUBHBTCFZOGF-SNVBAGLBSA-N 427.276 4.013 5 20 IIBD Cc1c(C(=O)O[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 746068774 NMVYEPKCIVIAHH-SNVBAGLBSA-N 432.776 4.433 5 20 IIBD CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 747537185 PEXKGUZTVNEBDE-UHFFFAOYSA-N 446.451 4.211 5 20 IIBD CC[C@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)Nc1ccc(OC)cc1 747957802 BRIKWHMVNIMLMY-SFHVURJKSA-N 441.465 4.301 5 20 IIBD Cc1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])c(Br)cc2F)c(Cl)c1 751690486 MMMLUVLTHFQKTI-UHFFFAOYSA-N 445.628 4.254 5 20 IIBD C/C(=C/C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc([N+](=O)[O-])cc1 752342556 CVQQPOZPFZEJRI-UCQJPZFISA-N 433.804 4.130 5 20 IIBD CC(=O)Nc1ccc(Cl)cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754965795 DJHMNPBGPREGFQ-UHFFFAOYSA-N 430.617 4.361 5 20 IIBD C[C@H]1CCN(c2c([N+](=O)[O-])ccc(N3CCS[C@H](C)CC3)c2[N+](=O)[O-])CCS1 755055017 IYEIAOLESAPEDF-KGLIPLIRSA-N 426.564 4.167 5 20 IIBD C[C@@H](C(=O)OCC(=O)Nc1ccc(OC(F)F)c(Cl)c1)c1ccc([N+](=O)[O-])cc1F 755066895 PKOOPCJCFVEMOC-SECBINFHSA-N 446.765 4.274 5 20 IIBD CN(c1ccc(OC(=O)CCc2cccc([N+](=O)[O-])c2)cc1)S(=O)(=O)c1cccs1 755110341 YWYFTJXPAPQYCX-UHFFFAOYSA-N 446.506 4.020 5 20 IIBD COC(=O)CSCc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2Br)c1 758288481 QEXNPLIJFWRDGM-UHFFFAOYSA-N 439.287 4.016 5 20 IIBD CC(=O)c1ccc(Oc2ccc(C(=O)OCc3ccc(C(N)=O)cc3[N+](=O)[O-])cc2)cc1 760576941 KOTQJKWPKDDJPX-UHFFFAOYSA-N 434.404 4.046 5 20 IIBD O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCOC[C@H]1C[C@@H](O)c1ccccc1 763722218 BLBHQGKRORKIJC-ZJSXRUAMSA-N 447.491 4.303 5 20 IIBD Cc1nnc(-c2ccccc2C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)o1 764619702 GWVFIPNBZCJNJP-UHFFFAOYSA-N 444.403 4.425 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@@H](C)C[C@H](O)c2ccc(F)cc2)CC1 766716206 BYJOFQWLMISAHA-AOMKIAJQSA-N 429.492 4.212 5 20 IIBD C[C@@H](OC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl 766841187 COFZCOCYWITKLL-SNVBAGLBSA-N 437.235 4.473 5 20 IIBD CC[C@H](OC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)c1ccc(F)cc1F 768187734 SLPOYROUWTWSFJ-IBGZPJMESA-N 429.379 4.035 5 20 IIBD COc1ccc(-c2ccc(CN3CCOC[C@@H]3C[C@H](O)c3cccs3)o2)c([N+](=O)[O-])c1 770302721 SBLFOPDZQOJOER-YWZLYKJASA-N 444.509 4.249 5 20 IIBD Cc1ocnc1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 770885825 PLROQDNDXXUAFT-UHFFFAOYSA-N 434.496 4.280 5 20 IIBD C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 771765456 PKALKMTUFLXWRV-NWDGAFQWSA-N 446.426 4.381 5 20 IIBD CCOCCONC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 775232101 FEQUSDFZEZOEGX-SSZFMOIBSA-N 427.482 4.220 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2coc(-c3ccccc3Cl)n2)c([N+](=O)[O-])c1 776445059 RUFPBCGPQPGANE-NSHDSACASA-N 445.815 4.096 5 20 IIBD CSc1cccc(C(=O)OCc2nc(-c3cc(F)c(F)c(F)c3)no2)c1[N+](=O)[O-] 777073312 GLOMZLIJOHSTCD-UHFFFAOYSA-N 425.344 4.141 5 20 IIBD CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc([N+](=O)[O-])cc2F)NC(=O)N1CC1CC1 777946126 AZKNBILBBLDQSE-OAQYLSRUSA-N 438.459 4.431 5 20 IIBD O=C(c1cc([N+](=O)[O-])c2nsnc2c1)N(Cc1cccc(-c2cccnc2)c1)C1CC1 778391230 ULNOSBGCEYTJKY-UHFFFAOYSA-N 431.477 4.466 5 20 IIBD Cc1noc(C)c1COc1ccccc1C(=O)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 778787993 PNRYNZFMCMZLJK-IBGZPJMESA-N 437.452 4.214 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 780290445 WMCOSGBAENACOV-CQSZACIVSA-N 430.482 4.484 5 20 IIBD C[C@H](OC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C(=O)N[C@@H]1CCCC[C@@H]1C 781260270 QYOMHDBZFVGCSP-WTOJCKNJSA-N 442.462 4.200 5 20 IIBD C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1Br)C(=O)c1ccc(OC(F)F)cc1 781678161 OILRVKBCRHAFDV-SECBINFHSA-N 444.184 4.387 5 20 IIBD C=CC(=O)NCc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])cc1 782850020 USOORGNEZIOSFM-UHFFFAOYSA-N 431.448 4.228 5 20 IIBD C[C@H](OC(=O)c1ccnc(C2CC2)c1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 783251655 VGGOQFLVIFPURI-LBPRGKRZSA-N 438.465 4.175 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])c(F)c1)c1cnn(-c2ncccc2Cl)c1C(F)(F)F 783555220 WIBGHDOQVHNRNV-UHFFFAOYSA-N 444.728 4.344 5 20 IIBD COc1cc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc(OC)c1C(C)C 783889855 NBRQQTSHGSLMHP-UHFFFAOYSA-N 443.500 4.111 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCSc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 783896039 YQZPNEYZTXITCT-UHFFFAOYSA-N 431.417 4.056 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)O[C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)c1F 787937792 DBPSEYMIAKMPNX-SNVBAGLBSA-N 430.310 4.125 5 20 IIBD Cc1ccc(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c(OCC(F)(F)F)c1 790561825 WUWFSWOXXPRXSE-UHFFFAOYSA-N 434.773 4.496 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCc1nc(C(F)(F)F)cs1 790972601 RNYATOZXXQSPCG-UHFFFAOYSA-N 425.182 4.498 5 20 IIBD C[C@@H](C(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1)c1ccc([N+](=O)[O-])cc1F 791039550 SIWBZSBTHAVURQ-MRXNPFEDSA-N 449.523 4.477 5 20 IIBD CCC(=O)c1ccc(N2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)c([N+](=O)[O-])c1 795084215 FVVBNOQUCLETCS-HNNXBMFYSA-N 428.464 4.365 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)OC[C@H]1CCC[C@@H](O)C1 795296104 PEYQPDUXEUFNRF-HTAPYJJXSA-N 435.480 4.084 5 20 IIBD O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N(Cc2cscn2)c2ccccc2)c1 795316334 LSXDBHABVZJWFY-UHFFFAOYSA-N 427.866 4.239 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)OCc1nnc(-c2cc3c(s2)CCCC3)o1 795710466 GSJBIGZEWNGUGK-UHFFFAOYSA-N 429.454 4.341 5 20 IIBD COc1ccc(C(=O)COC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc1Br 796445536 ZFBGWBMHPHSOOB-UHFFFAOYSA-N 436.258 4.070 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC(c2cccc(Br)c2)CC1 798489661 HREYIYDLROODIF-UHFFFAOYSA-N 443.294 4.065 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCCCc1ccc(Cl)cc1Cl 800615564 ZWYFVDBCOIDDBN-UHFFFAOYSA-N 428.247 4.037 5 20 IIBD Cc1c(CNC(=O)N2CCC([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cccc1[N+](=O)[O-] 811909347 XUNFJGMHIHBCKG-IBGZPJMESA-N 446.548 4.082 5 20 IIBD C[C@H](OC(=O)[C@H](C)c1cccc(Br)c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 812613258 ZUXJIKAEPABOHE-MNOVXSKESA-N 439.237 4.170 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N(CC1CCOCC1)c1ccc(Br)cn1 813377275 IRWCNHRQVIMXEG-FPYGCLRLSA-N 446.301 4.225 5 20 IIBD Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2I)cccc1-c1ncco1 816798465 NMUPMZBJTQEZTL-UHFFFAOYSA-N 449.204 4.415 5 20 IIBD Cn1cnc(-c2ccc(Br)cc2)c1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 818349699 PEKRUQLANKAJAM-WCIBSUBMSA-N 427.258 4.410 5 20 IIBD Nc1ccc(NC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1[N+](=O)[O-] 819905384 NQBNBDVWLSHOGC-UHFFFAOYSA-N 430.420 4.357 5 20 IIBD Cc1ccc(N(Cc2ccco2)C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1C 914514259 RZFGASFKLZHKLL-UHFFFAOYSA-N 439.493 4.229 5 20 IIBD C[C@H](OC(=O)c1ccc(OCC(F)(F)F)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 914987839 WDNRPGLPUJKYAE-JTQLQIEISA-N 446.765 4.373 5 20 IIBD CCOc1ccc(-c2nc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])cs2)cc1 914992063 IXGSEOLCPSHBGW-ZDUSSCGKSA-N 441.465 4.301 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)CCCc1ccc(Cl)c(Cl)c1 917444027 JJQVHWGHEMIXDJ-UHFFFAOYSA-N 431.297 4.038 5 20 IIBD C[C@@H](Nc1ccc(C(=O)OC[C@H]2COc3ccccc3O2)cc1[N+](=O)[O-])c1ccccn1 920116591 LQVGBDHQPYCHLB-NVXWUHKLSA-N 435.436 4.160 5 20 IIBD Cc1ccc(NC(=O)COC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1Cl 920777304 JOKKUIDDTVDKKN-NSHDSACASA-N 427.240 4.159 5 20 IIBD Cc1ccc(/C(O)=C(/C(=S)NCC2CCC2)[n+]2cccc(O)c2Cl)cc1[N+](=O)[O-] 1318939122 QQSCFFPIIMRSER-UHFFFAOYSA-O 434.925 4.151 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC(Cc2ccccc2C(F)(F)F)C1 1319040997 QWYRHQYAHHLQPC-UHFFFAOYSA-N 430.386 4.114 5 20 IIBD O=C(NCCc1coc(-c2ccccc2)n1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 1322212557 CDUFOEOADGQTOT-UHFFFAOYSA-N 434.374 4.311 5 20 IIBD CN(Cc1cc2ccccc2[nH]1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 1322783264 ZCDRBGCDKBZJBD-MRXNPFEDSA-N 432.484 4.008 5 20 IIBD CC1=C(C(=O)N(C)C)[C@@H](c2cc(Cl)ccc2[N+](=O)[O-])NC(=S)N1c1ccc(F)cc1 1323086300 XILHTLIHDNXTDB-GOSISDBHSA-N 448.907 4.185 5 20 IIBD COC(C)(C)C(=O)NC1(c2ccc(NC(=O)CCc3cccc([N+](=O)[O-])c3)cc2)CCC1 1786598864 DUKTZZNZLFVENY-UHFFFAOYSA-N 439.512 4.087 5 20 IIBD COc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccncc4)cc3)CCC2)ccc1[N+](=O)[O-] 1787310756 BIUMBSLMIVXBNV-UHFFFAOYSA-N 446.463 4.060 5 20 IIBD Cn1cccc1C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)CCC1 1790622904 XTBDZBKVGAQKCR-UHFFFAOYSA-N 436.443 4.134 5 20 IIBD C[C@@H](C(=O)Nc1ccc(C2(NC(=O)Cc3cccc([N+](=O)[O-])c3)CCC2)cc1)n1cccc1 1791784947 UVXHRABOOUUXGT-SFHVURJKSA-N 446.507 4.334 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2cccc([N+](=O)[O-])c2)CCC1)[C@@H]1CC=CCC1 1800038489 AYHPLQFRLHQANH-AYWYSENESA-N 437.540 4.011 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)c(F)c1 1800353016 LNHGAGITTUSBDV-BTTYYORXSA-N 449.841 4.092 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)[nH]n1)C1CCCCC1 1816702448 ARNAULXJNRJXBM-FQEVSTJZSA-N 439.516 4.133 5 20 IIBD O=C(C1CC2(CCC2)C1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823616166 PLDOFQOOHTZXJL-SFHVURJKSA-N 429.517 4.001 5 20 IIBD Cc1scc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)c1C 1826183268 PBBGDNBOFSAGPZ-LJQANCHMSA-N 444.557 4.148 5 20 IIBD CC/C=C(\C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])c(O)cc2C)CC1 1830792854 ZJGYXOVHEDVYDW-QDGSLSSCSA-N 443.544 4.198 5 20 IIBD O=C(C1=CCCC1)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 1831290847 ILXVLDZLWNUSPQ-QFIPXVFZSA-N 443.519 4.006 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1ccc(OCc2ccccc2)cc1 10051144 YZCIBQKGPUFMIR-UHFFFAOYSA-N 449.463 4.035 5 20 IIBD O=C(COC(=O)c1cccc(C(F)(F)F)c1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 10745102 SUOZQZVUKYMTKV-UHFFFAOYSA-N 436.264 4.428 5 20 IIBD O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] 11024723 QZUHOJHVBMHKIZ-UHFFFAOYSA-N 438.823 4.275 5 20 IIBD Cc1nc(CSc2ccc(C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cs1 11535487 DRENSURAKAIIPG-UHFFFAOYSA-N 443.506 4.448 5 20 IIBD Cc1ccc(NC(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c(F)c1 15313790 TWDWTCUQHGLNNZ-UHFFFAOYSA-N 430.413 4.062 5 20 IIBD Cc1cc(C(=O)Oc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)ccc1[N+](=O)[O-] 15965657 RWKZQHYURIXJAB-UHFFFAOYSA-N 432.479 4.009 5 20 IIBD O=C(OCc1cc(=O)oc2cc3c(cc12)CCC3)C1CCN(c2ccccc2[N+](=O)[O-])CC1 24498997 FCXLGTVJVSNKBG-UHFFFAOYSA-N 448.475 4.150 5 20 IIBD C[C@@H](Oc1cccc(Cl)c1)C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 24790296 WGHZBABRGYOAMF-SNVBAGLBSA-N 446.765 4.216 5 20 IIBD O=C1CCc2cc(F)c(NC(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)cc2N1 32048055 OHKBFYYDYAWXCN-UHFFFAOYSA-N 434.427 4.483 5 20 IIBD COC(=O)c1cc(C(=O)N(Cc2ccccn2)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1 59785087 MKDJGUYEKLQIPL-UHFFFAOYSA-N 425.828 4.277 5 20 IIBD CN(Cc1ccccc1)c1ccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1 71983094 HTUKCUGKFVVBTP-UHFFFAOYSA-N 428.452 4.064 5 20 IIBD COc1ccc(C(=O)NCC2(c3ccc(Cl)cc3Cl)CCOCC2)cc1[N+](=O)[O-] 72022640 ZYSUHAMDQSDJFC-UHFFFAOYSA-N 439.295 4.388 5 20 IIBD Cc1cc(C)n(-c2ccc(C(=O)Nc3nc(-c4ccc(C)c([N+](=O)[O-])c4)cs3)cn2)n1 106203849 YIHPVDYRVRXBNS-UHFFFAOYSA-N 434.481 4.477 5 20 IIBD CN(CC(=O)Nc1ccccc1Br)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 301840026 ABZWYGVLKNISOZ-UHFFFAOYSA-N 441.285 4.494 5 20 IIBD C[C@H](C(=O)Nc1ccc(Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)cc1)n1cncn1 301877693 NWHKMVZNPCFKOC-OAHLLOKOSA-N 429.440 4.192 5 20 IIBD CCc1ccc([C@H](NC2CCN(S(=O)(=O)C(C)(C)C)CC2)c2ccc([N+](=O)[O-])cc2)o1 426044219 RPIODHTYIPDEIB-OAQYLSRUSA-N 449.573 4.022 5 20 IIBD C[C@H](N1CCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1)C(F)(F)F 428901459 PQFULNOTQWRBKA-AWEZNQCLSA-N 438.406 4.487 5 20 IIBD Cc1noc(C[C@H](NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c2ccccc2)n1 429518030 LESUGCIQRZSUSX-FQEVSTJZSA-N 449.511 4.236 5 20 IIBD O=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)c1ccc(Br)cc1[N+](=O)[O-] 430917121 CHFJFBOODLEOLC-CYBMUJFWSA-N 439.237 4.307 5 20 IIBD O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 432472022 ZJZCPMWINXDLJD-UHFFFAOYSA-N 441.252 4.285 5 20 IIBD CC(=O)Nc1ccc(C(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)cc1F 434250244 PRAJCSCMPUEHSC-UHFFFAOYSA-N 449.398 4.390 5 20 IIBD CCc1ccnc(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 437742067 FEYFYRIDZAZURD-UHFFFAOYSA-N 436.434 4.104 5 20 IIBD Cc1c(CC(=O)Nc2cc(I)ccc2Cl)cccc1[N+](=O)[O-] 438930603 KENUGNRRAQKQTQ-UHFFFAOYSA-N 430.629 4.342 5 20 IIBD COCCc1nc2cc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)ccc2o1 440003890 MTMGCVHAIDXEJU-UHFFFAOYSA-N 427.460 4.124 5 20 IIBD CO[C@@H]1CCN(C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)[C@@H](C)C1 441445400 VXRISNWWOIPOAD-GOEBONIOSA-N 428.510 4.187 5 20 IIBD Cc1c(NC(=O)CCN2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)cccc1[N+](=O)[O-] 443644486 FDJCOOXARNGIJN-OAHLLOKOSA-N 426.448 4.392 5 20 IIBD CCOC(=O)c1cccc(N(CC)C(=O)c2sc(Br)cc2[N+](=O)[O-])c1 446110217 WVWKXRNUKHUTHW-UHFFFAOYSA-N 427.276 4.262 5 20 IIBD Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 464703751 LAGZDDYYKUXHTI-XXBNENTESA-N 434.496 4.201 5 20 IIBD COC[C@H](C)Oc1ccc(Cl)cc1N[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 469104924 XXJPTVXQFBSENB-STQMWFEESA-N 437.880 4.110 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 470111873 BMTKNDODFBQNPC-NSHDSACASA-N 447.776 4.202 5 20 IIBD COc1cc(C(=O)Nc2cccc(CCC(=O)OC(C)(C)C)c2)c([N+](=O)[O-])cc1OC 470674618 WFXFWEXOHRJCKS-UHFFFAOYSA-N 430.457 4.139 5 20 IIBD CCC(C)(C)OCc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)O)c2)c1C 471115245 IGBYWXNDVYUDMO-UHFFFAOYSA-N 436.486 4.107 5 20 IIBD Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 472615980 ZWNCOZHRSVEJOR-GOSISDBHSA-N 427.457 4.143 5 20 IIBD O=C(Cc1csc2ccc(Br)cc12)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 473231350 PIIQTDGEFGWDBF-UHFFFAOYSA-N 445.298 4.307 5 20 IIBD CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F 474397721 RFFHSHSEGRPZEV-OAHLLOKOSA-N 445.491 4.490 5 20 IIBD O=[N+]([O-])c1cn(CCOc2c(Br)cccc2Br)nc1C1CC1 475880990 NJJQNXVGRBNOTP-UHFFFAOYSA-N 431.084 4.273 5 20 IIBD CCNc1nc(Sc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])nc2ccccc12 480377354 PQFLPBMOCHLWIN-UHFFFAOYSA-N 434.481 4.086 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)c1[N+](=O)[O-] 480737460 OJQFAAUAHLVFOS-GOSISDBHSA-N 431.901 4.328 5 20 IIBD COc1cc(C(=O)N(C)Cc2ccc(Br)cc2Cl)cc([N+](=O)[O-])c1OC 481673601 HOYBLBVHSRNFCY-UHFFFAOYSA-N 443.681 4.300 5 20 IIBD CCS[C@H](C)c1noc(CN(C)c2cc(CC)nc(-c3ccc([N+](=O)[O-])cc3)n2)n1 482075969 CFHNAXPKKNKWGC-CYBMUJFWSA-N 428.518 4.448 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](c1ccc(Cl)cc1)c1noc(C)n1 483419643 PEGXZYDOKGNYNY-QGZVFWFLSA-N 431.836 4.249 5 20 IIBD COCCN(Cc1sccc1Br)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 484345440 ZZQMJYNASLBWCM-UHFFFAOYSA-N 428.308 4.408 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3ccccc3n2CCCn2ccnc2)c1 485225430 UKTSFVSILCPRSZ-UHFFFAOYSA-N 436.497 4.206 5 20 IIBD O=C(Nc1cc(-c2ccoc2)nn1-c1ccccc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 485873214 YIOKEXIKRCWOAR-UHFFFAOYSA-N 440.419 4.479 5 20 IIBD C[C@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(Cc2c(Cl)cccc2[N+](=O)[O-])C1=O 488734651 RIRGAOYZLYGASJ-QGZVFWFLSA-N 427.766 4.234 5 20 IIBD CN(Cc1cc(Br)cs1)C(=O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 490846670 RZDDDLQSUOAESP-UHFFFAOYSA-N 438.347 4.042 5 20 IIBD CC[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc2c(c1)OCCO2 494405944 NXEGJFCQVUGSPV-MRXNPFEDSA-N 439.390 4.335 5 20 IIBD CS(=O)(=O)c1cccc(Nc2cccc(C[S@](=O)C3CCCCC3)c2)c1[N+](=O)[O-] 497539335 NIBHCRCNYGTOBA-NDEPHWFRSA-N 436.555 4.323 5 20 IIBD CC1(C)CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@H](c2cccc(C(F)(F)F)c2)O1 497831160 GVYCOJCLWDRAMD-MRXNPFEDSA-N 441.381 4.327 5 20 IIBD O=C(Nc1cc(Cl)ccc1N1CCSCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 499482326 ZXWLCHAUGSLSCO-UHFFFAOYSA-N 443.916 4.239 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccn(-c2ccc(OC)cc2)n1 505934684 CITJGIFMISBXSI-UHFFFAOYSA-N 426.498 4.221 5 20 IIBD COc1ccc(CN(C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1OC(F)F 506185762 CCSWULHNZYKYNK-UHFFFAOYSA-N 432.427 4.237 5 20 IIBD C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 507602530 QSRQMLFPHDZMSG-FPOVZHCZSA-N 425.532 4.106 5 20 IIBD COc1cc(CNc2ccc(Cn3ccnc3)cn2)c([N+](=O)[O-])cc1OCc1ccccc1 508487064 FXFAODNKKICFLY-UHFFFAOYSA-N 445.479 4.434 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)cc1 511296638 QBBJUDZDHDAKQU-QGZVFWFLSA-N 430.404 4.064 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 512141190 UTGNYRFKKPCIEU-UHFFFAOYSA-N 447.417 4.183 5 20 IIBD CCOc1cc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3n2C)c([N+](=O)[O-])cc1OC 515585000 LNXPEGMBPFMJFH-GOSISDBHSA-N 438.484 4.256 5 20 IIBD CC(=O)N(c1ccc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1)[C@@H]1C[C@@H]1C 516206679 BOSYASJEPAEOJE-LHSJRXKWSA-N 433.468 4.009 5 20 IIBD CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 520106356 CWWGLKOAFXQEQB-UHFFFAOYSA-N 445.317 4.043 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 521550905 CDBDUZQLZNHTIP-UHFFFAOYSA-N 435.484 4.288 5 20 IIBD Cc1cc(=O)c(-c2nc(-c3cccc4ccccc34)no2)nn1-c1ccccc1[N+](=O)[O-] 521911234 FJGFGUIAJAVCQK-UHFFFAOYSA-N 425.404 4.319 5 20 IIBD C[C@@H]1CO[C@H](c2ccccc2Cl)CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 522053953 UTQXNEJTKRVJLK-BZNIZROVSA-N 431.297 4.052 5 20 IIBD C[C@H]1CN(Cc2ccccc2NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 523558275 YVTYPGHAAOFVFW-KDURUIRLSA-N 440.544 4.348 5 20 IIBD CCOc1ccc(Br)cc1N[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 524407482 OCKSMBZSZCMDDY-LLVKDONJSA-N 438.278 4.204 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])cc1 524661595 VEMPRHDEEWGTID-UHFFFAOYSA-N 439.493 4.371 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCC1(c2ccccc2Br)CC1 525465796 YMBHBJYOYPCEIA-UHFFFAOYSA-N 432.318 4.397 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(C(=O)CCC2CCCCC2)CC1 532483482 KSFAWXYSOFZSHT-QGZVFWFLSA-N 441.532 4.211 5 20 IIBD COc1cc(CNc2ccc3oc(=O)n(C)c3c2)c([N+](=O)[O-])cc1OCc1ccccc1 532887815 CEWWEBVKCQQQQK-UHFFFAOYSA-N 435.436 4.239 5 20 IIBD Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534795680 KNBBQFWUSQDCKH-BRRNQIAESA-N 447.900 4.488 5 20 IIBD CC(C)c1cc(Br)ccc1NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 534810263 SCRBVRGUJFDWFD-UHFFFAOYSA-N 441.303 4.137 5 20 IIBD CN1CC[C@@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 536487928 JAWZGHHDNUSCND-BTYIYWSLSA-N 446.910 4.384 5 20 IIBD C[C@H](Oc1ccccc1Br)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 537592052 QDFZSJKNUWFBEP-NSHDSACASA-N 427.682 4.137 5 20 IIBD CC[C@@H](CSc1ccccc1[N+](=O)[O-])Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1 538550831 GZZXDCKLSDUHRB-CVEARBPZSA-N 440.529 4.369 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CCS[C@H]3COCC[C@H]32)cc1 538809800 IAFLIIDPBSEOFD-YADHBBJMSA-N 436.537 4.154 5 20 IIBD Cc1cc(C)n(-c2ccc(C(=O)N(C)c3nc(-c4ccccc4[N+](=O)[O-])cs3)cn2)n1 539352013 CHVFTLPPDGWRCK-UHFFFAOYSA-N 434.481 4.192 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)n2nc(-c3cccs3)oc2=O)c([N+](=O)[O-])c1 539630180 OYVUNIHZMLHRBS-SFHVURJKSA-N 436.449 4.010 5 20 IIBD O=C(Nc1nc(-c2ccccc2Cl)cs1)c1cccc([N+](=O)[O-])c1N1CCOCC1 540650495 WZARUFRQQQHMNK-UHFFFAOYSA-N 444.900 4.461 5 20 IIBD Cc1nnc([C@H](C)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)s1 541587266 WBCWGZLJRKJBOK-AWEZNQCLSA-N 429.571 4.362 5 20 IIBD CCCc1c(NC(=O)c2cc(C(=O)OCC)cc([N+](=O)[O-])c2)cnn1-c1cccc(F)c1 542419090 SGPHJFKALPUERW-UHFFFAOYSA-N 440.431 4.301 5 20 IIBD C[C@H](C(=O)N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F 542653197 JUADNLFWUBFHMB-GEQKSPFYSA-N 425.504 4.351 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CNc3ccn(-c4cccc(C(F)(F)F)c4)n3)n2)cc1 543958270 XIBKMZDKTUQHOO-UHFFFAOYSA-N 430.346 4.461 5 20 IIBD C[C@@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)Oc1ccc(Br)cc1 544399859 QYSRXTZZORRJNA-NWDGAFQWSA-N 425.254 4.184 5 20 IIBD COc1ccc(NC(=O)c2cccc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])c2)cn1 550333304 YDGAHSMXOWAAAK-UHFFFAOYSA-N 434.452 4.167 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCC(c2ccc(Br)cc2)CC1 554539842 FPOIXGSRZURCRL-UHFFFAOYSA-N 447.285 4.148 5 20 IIBD Cc1ccsc1CN(C)C(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 555223714 PYHQKBSRIPNFIQ-UHFFFAOYSA-N 445.522 4.038 5 20 IIBD CC[C@@H](C)c1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1C[C@H]1CCCCO1 559205665 IZUWFTHNAKYBMW-DYESRHJHSA-N 443.548 4.317 5 20 IIBD CC(C)[C@@H](CNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(Cl)cc1 560786983 LECDGPKRHYCCSA-OAHLLOKOSA-N 438.311 4.187 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F)c1cccc([N+](=O)[O-])c1 564290806 LNJQVCGDPIPPDV-JTQLQIEISA-N 443.859 4.421 5 20 IIBD Cn1cnc(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc([N+](=O)[O-])cc2)CCC3)n1 565134576 HVDZMUCRSYYSLV-DTQAZKPQSA-N 440.463 4.401 5 20 IIBD COc1ccc(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1OCc1ccncc1 570980923 SGKFAYJNUMEDQZ-UHFFFAOYSA-N 436.468 4.284 5 20 IIBD O=C(CCCc1csc2ccccc12)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 572828925 FCMGGSABJMUGRZ-UHFFFAOYSA-N 437.521 4.117 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(C[C@@H](C)c2ccccc2)o1 594638941 NBRGSRNHXDQLPV-ZIAGYGMSSA-N 442.497 4.452 5 20 IIBD O=C1[C@H](c2cccs2)N(Cc2ccccc2)C(=O)N1CCOc1ccc([N+](=O)[O-])cc1 603677866 GSIWQULUZWUACV-FQEVSTJZSA-N 437.477 4.241 5 20 IIBD COc1cc(C(=O)Nc2ccnn2Cc2cccc3ccccc23)c([N+](=O)[O-])cc1OC 603759613 GASXJTOPBNARQG-UHFFFAOYSA-N 432.436 4.262 5 20 IIBD CC(C)[C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCc2ccccc2C1 603872945 IEXHZEUSHADIDE-XMMPIXPASA-N 436.556 4.008 5 20 IIBD COC(=O)c1ccc(OCC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 603906716 LXQIBGFCYFWIMJ-LJQANCHMSA-N 440.496 4.421 5 20 IIBD O=C(c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CCC[C@H]1C1CCCC1 604192926 NIRXKQOXGQIEDZ-NRFANRHFSA-N 443.525 4.190 5 20 IIBD Cn1cc(CNC[C@@H]2CCN(c3ccc(Cl)cc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 608836623 ZIZKGPZHABPDSG-INIZCTEOSA-N 425.920 4.265 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 609469204 NDERJOIBTGUCMK-UHFFFAOYSA-N 438.415 4.187 5 20 IIBD O=C(c1ccc(C(=O)N2CC[C@H](c3ccco3)C2)c([N+](=O)[O-])c1)N1CC[C@@H](c2ccco2)C1 609549517 GCHRUSAFWKRXBJ-MSOLQXFVSA-N 449.463 4.040 5 20 IIBD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)ccc21 609786003 YZUHQDBMNIGORO-UHFFFAOYSA-N 442.903 4.253 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)N1CCC(CO)CC1 609817960 XFWZOTQJYCKWCS-UHFFFAOYSA-N 437.855 4.094 5 20 IIBD O=C(Nc1nc(CN2CCCCC2)cs1)c1ccc([N+](=O)[O-])cc1Br 610061563 CMLQPPOOKRXBJO-UHFFFAOYSA-N 425.308 4.052 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CC[C@H]2[C@H](C(F)(F)F)[C@@H]21 610494518 BEGHUMOROYSYQO-AQUOVQTQSA-N 435.189 4.110 5 20 IIBD C[C@@H](N[C@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 610816003 ZNOZRKMNEXIWRZ-CVEARBPZSA-N 436.537 4.352 5 20 IIBD COC(=O)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)c1ccccc1 611209901 WJLFQJIXQWATFL-IBGZPJMESA-N 428.510 4.316 5 20 IIBD COCc1ccccc1-c1noc(-c2ccc([N+](=O)[O-])cc2I)n1 612902271 GLUHZFYDAMYCLW-UHFFFAOYSA-N 437.193 4.063 5 20 IIBD O=C(Nc1ccc(F)cc1OC1CCCC1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 615091257 LAWYNERFJNERHR-UHFFFAOYSA-N 441.459 4.185 5 20 IIBD C[C@@H](C(=O)NCC1(c2cccc(Br)c2)CCOCC1)c1cccc([N+](=O)[O-])c1 617703021 ZIBMAQSYNOZRNU-OAHLLOKOSA-N 447.329 4.325 5 20 IIBD O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 683556144 FHKZHOBBVWKSKJ-KBPBESRZSA-N 428.332 4.494 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2ccccc2Br)C1 725728393 ITEGGXONEHPWOZ-LJQANCHMSA-N 448.317 4.150 5 20 IIBD CCc1ccc2c(COC(=O)c3cc(SC)c(OC)cc3[N+](=O)[O-])cc(=O)oc2c1 728658744 WJDLSHIPAXJONS-UHFFFAOYSA-N 429.450 4.351 5 20 IIBD Cc1cc(C(=O)N(C)CCCCCc2cc(-c3ccc(F)cc3)n[nH]2)c(N)c([N+](=O)[O-])c1 729524927 ALJGVQPTIVKBTI-UHFFFAOYSA-N 439.491 4.500 5 20 IIBD Cc1cc(C)n(Cc2cccc(C(=N)NOCc3cc([N+](=O)[O-])ccc3OC(C)C)c2)n1 729674934 WGWXITNYIRGJOK-UHFFFAOYSA-N 437.500 4.290 5 20 IIBD CC(C)n1c(S)nnc1CCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 731442334 BWORDIBSOXCEHT-UHFFFAOYSA-N 443.554 4.180 5 20 IIBD Cc1cc(OC(F)F)c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 734058305 JVOIKOSTRNWIGA-MRVPVSSYSA-N 434.804 4.404 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Oc1cccc(NC(=O)c2ccco2)c1 734327694 RMAFCDAADACPAA-LBPRGKRZSA-N 430.800 4.466 5 20 IIBD CC(C)c1nc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)nn1-c1cccc(F)c1 735429912 VIEZPRDJHZMRNO-UHFFFAOYSA-N 431.855 4.364 5 20 IIBD CN(CCC(=O)Nc1cccc(Br)c1)Cc1cc([N+](=O)[O-])ccc1Cl 736308830 STCSOZKWSSRFBE-UHFFFAOYSA-N 426.698 4.471 5 20 IIBD C[C@H](Cc1ccccc1F)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 738759557 GHGKYXFAGKEICS-LLVKDONJSA-N 428.338 4.113 5 20 IIBD COc1cc(N2CCC(OC(=O)c3cc(C4CC4)n(C(C)(C)C)n3)CC2)ccc1[N+](=O)[O-] 739384742 LXSLTFOYMLCGOG-UHFFFAOYSA-N 442.516 4.258 5 20 IIBD Cc1ccc(N2CCC[C@H](NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])C2)cc1 742017222 BXLKZBRIURVMNZ-HNNXBMFYSA-N 437.418 4.243 5 20 IIBD CO[C@H](C)CC(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 744282588 BTGOANVMDWXMSR-SNVBAGLBSA-N 427.240 4.484 5 20 IIBD CC(C)n1ccc(CC(=O)Oc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)n1 744352439 HXEPOMGEOUVIPT-UHFFFAOYSA-N 433.420 4.294 5 20 IIBD CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 744365934 SVRURQPOGKJTKY-ZDUSSCGKSA-N 433.427 4.283 5 20 IIBD Cc1ccc(C2(C(=O)O[C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CCOCC2)cc1 745007761 NNHVPFCVPHUSTG-INIZCTEOSA-N 437.452 4.306 5 20 IIBD C[C@@H](OC(=O)[C@H]1CCCCN1Cc1ccccc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 745105604 VRRMRQNHHVFXDF-OXQOHEQNSA-N 436.468 4.304 5 20 IIBD C[C@@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)N(Cc1ccccc1)Cc1ccccc1 745331678 FPXXKFGCMCLPFZ-LJQANCHMSA-N 432.476 4.298 5 20 IIBD O=C(COC(=O)[C@H]1C[C@]12CCCc1ccccc12)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 745715791 HDESARGYUIYGQZ-UTKZUKDTSA-N 448.397 4.390 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)/C=C(/C)c1ccc(C(F)(F)F)cc1 748390688 LOLFDSWWLUGHIM-XFXZXTDPSA-N 438.358 4.207 5 20 IIBD O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1ccc(OCc2ccccc2)nc1 750668119 CHBJYDPJIPJSQC-UHFFFAOYSA-N 448.479 4.037 5 20 IIBD CN(Cc1cccc(N(C)C)c1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 750922704 LAKWJVNVMLSPGF-UHFFFAOYSA-N 426.698 4.349 5 20 IIBD COc1cccc(CN(C[C@@H]2CCCO2)C(=O)c2cc([N+](=O)[O-])ccc2Br)c1 751107031 HOHMYQGGYJXRCX-KRWDZBQOSA-N 449.301 4.187 5 20 IIBD O=C(Nc1ccc(OCC2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1Br 753828324 ZPOMUTCWRFFTKQ-UHFFFAOYSA-N 435.274 4.415 5 20 IIBD O=C(NCC1(c2ccc(F)cc2)CCC1)c1cc(F)cc([N+](=O)[O-])c1Br 754638404 ZDBXOENCFNWXCW-UHFFFAOYSA-N 425.229 4.487 5 20 IIBD O=C(Nc1cccc(CC[C@H](O)c2ccccc2)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 754958437 UVRJYLKLOXQNJX-QHCPKHFHSA-N 443.463 4.094 5 20 IIBD CC(C)C(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 755062184 JOVCZIJVJPMAIP-UONOGXRCSA-N 430.432 4.247 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@H]2CC3(CCC3)Oc3ccccc32)ccc1[N+](=O)[O-] 757811417 AKROGVHRFNYBHG-PZJWPPBQSA-N 449.507 4.071 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)C1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 760834254 OKVDWOQNYGMILU-OAHLLOKOSA-N 430.505 4.375 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCO[C@H](c3ccccc3)C2)c1=S 764875535 GTYJJFYKHSQJCO-IBGZPJMESA-N 425.514 4.040 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@@H](Cc2cccc(Cl)c2F)C(C)=O)cc1SC 768675421 BBOWPSXCBQLANM-HNNXBMFYSA-N 441.864 4.475 5 20 IIBD CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cc1 775088430 UVWCNQLBXWRAOG-CQSZACIVSA-N 430.482 4.482 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](CNC(=O)OC(C)(C)C)C[C@H]1C 775491875 KPZRMOXOOASKBJ-CABCVRRESA-N 437.562 4.471 5 20 IIBD O=C(Oc1cc(Cl)cnc1Br)c1cc([N+](=O)[O-])ccc1Br 775508852 XNPBUOJVHADTHT-UHFFFAOYSA-N 436.443 4.387 5 20 IIBD O=C(C[C@@H](c1ccccc1)N1CCOC1=O)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776133543 MUJHEFZNDNIUMJ-JTHBVZDNSA-N 447.447 4.206 5 20 IIBD CSc1cccc(C(=O)O[C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)c1[N+](=O)[O-] 777073607 JYYDSRWKHSNZBT-CHWSQXEVSA-N 428.466 4.486 5 20 IIBD Cc1ccc(-n2nc(C(=O)O[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cc2C)cc1 777154847 PMEUZNGFDQMLOT-OAHLLOKOSA-N 433.424 4.365 5 20 IIBD C[C@H](CC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)c1ccc(Cl)cc1 777216156 QVQDJNIPFIFHGI-LLVKDONJSA-N 439.251 4.292 5 20 IIBD CCOc1ccc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1Br 777873636 XZFPQXIJKABDMH-UHFFFAOYSA-N 438.234 4.236 5 20 IIBD O=C(O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)c1cccc(NC(=O)c2ccco2)c1 778802467 YYEQDLHTHPEOLX-KRWDZBQOSA-N 439.399 4.015 5 20 IIBD CC[C@@H](C)[C@@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 781623442 RLCRPFWUTTUCOS-ZUOKHONESA-N 425.445 4.216 5 20 IIBD CC(C)(c1ccccc1)c1nnc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 781648987 OTXDTHYIGJPMSI-UHFFFAOYSA-N 441.469 4.252 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 782831712 XJFJYYSLDJBNSS-HXUWFJFHSA-N 449.429 4.428 5 20 IIBD CN(C(=O)c1cc2cccc(Cl)c2o1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 783071134 ZRQMVMWEADHRBS-UHFFFAOYSA-N 429.237 4.109 5 20 IIBD Cc1cc([C@@H](C)NC(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2Br)c(C)s1 784631769 VQUWAHTUNRPMPF-SNVBAGLBSA-N 440.319 4.160 5 20 IIBD CCN(CC1CCN(c2ccccn2)CC1)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790810170 FIFXADMNVNVWIV-UHFFFAOYSA-N 434.899 4.090 5 20 IIBD CC(C)(C)OC(=O)N1CC=C(CCNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 794182755 GNMVQPFTTMMJTM-UHFFFAOYSA-N 447.535 4.368 5 20 IIBD CCC(CC)c1cc(CNC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])on1 796661290 QGEWLHFTXICKRJ-UHFFFAOYSA-N 439.310 4.002 5 20 IIBD O=C(OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])C1CC(c2ccc(F)cc2)C1 796865234 TVRZRLHSPGQKIV-TVPLGVNVSA-N 426.444 4.076 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCCCCC3)cc2)cc1OC 798149497 SXHIWBREOGWYEA-UHFFFAOYSA-N 443.500 4.261 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 800150159 DNZPMAULEHXCJU-GASCZTMLSA-N 443.475 4.463 5 20 IIBD C[C@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(S[C@H]2CCCCNC2=O)cc1 809047651 XNLAAIYEIXMTKH-YWZLYKJASA-N 428.510 4.203 5 20 IIBD CC(C)(C)OC(=O)N1CCC(c2noc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)n2)CC1 809336397 LQTUEQVQGMPSHA-UHFFFAOYSA-N 443.504 4.360 5 20 IIBD C[C@H](c1nc2ccccc2s1)N(C)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F 809806876 VOPQYCRQHLCDFB-SECBINFHSA-N 429.882 4.379 5 20 IIBD CC(C)CC[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810360040 BVQZJAKPHMRMKZ-IUODEOHRSA-N 426.311 4.017 5 20 IIBD C[C@@H](Sc1ccccc1C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(N)=O 811218819 FMTNJQWGBKRJGL-GFCCVEGCSA-N 443.506 4.041 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(-c3nc(CCC(C)(C)[N+](=O)[O-])no3)cc2)cc1C 812811613 DFBFVZIQEPZISK-UHFFFAOYSA-N 444.513 4.142 5 20 IIBD CC(C)(C)OC(=O)NC1CCC(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 813458965 KSUSYEILYVYJEY-UHFFFAOYSA-N 432.304 4.467 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCC3(CC2)CCN(C(=O)OC(C)(C)C)C3)cc1[N+](=O)[O-] 814308237 IDTRWWKCPOBDEG-KRWDZBQOSA-N 446.548 4.397 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)c1ccc(N2CCCOC2=O)cc1 814355631 PFVNGHDYEXYCNL-KBPBESRZSA-N 447.875 4.240 5 20 IIBD C[C@@H](c1ccc(F)cc1)N1CC[C@@H](OC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O 815213393 FLPRWMXFBJIENR-APPDUMDISA-N 440.349 4.272 5 20 IIBD C[C@H](C(=O)O[C@@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O)c1ccc([N+](=O)[O-])cc1F 816404608 YSUXVKUSVLJAAS-LRDNONRASA-N 432.423 4.272 5 20 IIBD C[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(C(F)(F)F)nc1Cl 816762327 WODQDQAUOAKIOT-SNVBAGLBSA-N 439.781 4.339 5 20 IIBD COc1ccccc1CC(=O)N1CCC(Nc2cccc(Br)c2[N+](=O)[O-])CC1 820644746 IVGZZHROFWFZSN-UHFFFAOYSA-N 448.317 4.012 5 20 IIBD Cc1c(C(=O)Oc2ccc(NC(=O)c3cccs3)cc2)nnn1-c1cccc([N+](=O)[O-])c1 913081811 HRWACUYJSCKLKI-UHFFFAOYSA-N 449.448 4.017 5 20 IIBD C[C@H](OC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(=O)Nc1cc(Cl)ccc1Cl 915513980 SGGOGSNYIGSCBB-NSHDSACASA-N 449.250 4.271 5 20 IIBD Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 915835094 BUKCPMICBUIKHS-PKOBYXMFSA-N 449.429 4.292 5 20 IIBD CN(Cc1nc(O)c2ccccc2n1)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 916111826 VSPRIWRIDVWYEE-UHFFFAOYSA-N 430.420 4.308 5 20 IIBD O=C(NCCOC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccncc1 917942036 KOMNKPCHRUQCHM-UHFFFAOYSA-N 441.827 4.022 5 20 IIBD CC(C)[C@H](OC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1CCCCC1 920778619 OBYUAVYEEDTBFX-ACJLOTCBSA-N 426.897 4.032 5 20 IIBD O=C(CSc1ccc(Br)cc1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 1318308107 GAAUJGJTLOLFCH-UHFFFAOYSA-N 433.287 4.478 5 20 IIBD O=C1[C@H](c2ccccc2)N(Cc2ccccc2)C(=O)N1CN1Cc2ccc([N+](=O)[O-])cc2C1 1318895083 WNWBIDKFMBULSN-QHCPKHFHSA-N 442.475 4.074 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H]1c1nnc(CCSc2ccc(F)cc2)o1 1322288739 FXWKEANQMVCFGZ-AWEZNQCLSA-N 448.501 4.491 5 20 IIBD C[C@H](C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)c1ccc(F)cc1F 1323067577 DWYQJJCNTMCWQH-JTQLQIEISA-N 425.229 4.324 5 20 IIBD CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 1324760391 PAHHDVYHSVNPMT-UHFFFAOYSA-N 429.702 4.304 5 20 IIBD O=[N+]([O-])c1ccc2sc(-c3nnc(CCN4CCN(c5ccccc5)CC4)o3)cc2c1 1328175690 CTGKWBCTSLVWFW-UHFFFAOYSA-N 435.509 4.224 5 20 IIBD C[C@@H](OC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ncc(-c2ccc(Cl)c(Cl)c2)o1 1335395631 PXFNQVIUGSOYPN-SNVBAGLBSA-N 438.223 4.023 5 20 IIBD O=C([C@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1338692212 ZWYGHVJICWHQTG-OALUTQOASA-N 434.323 4.350 5 20 IIBD O=C(NC[C@@H](CO)CC1CCOCC1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 1339162196 ZQUVRUMZBGGWEF-INIZCTEOSA-N 448.903 4.196 5 20 IIBD CCc1cccc(C(=O)OC)c1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 1339257635 CCNGSKDKJTXKIN-UHFFFAOYSA-N 425.485 4.432 5 20 IIBD CCCCC[C@H](C)C(=O)NC1(c2ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cc2)CCC1 1786806214 KZYUPWHZEZYHHR-KRWDZBQOSA-N 441.532 4.142 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1)c1ccc2ncoc2c1 1789078132 UXTHGUPXUIXXIK-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3n[nH]c4ccccc34)cc2)CCC1)c1ccc([N+](=O)[O-])o1 1789278942 XRGSGPCLVAQPAK-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)NC1(c2ccc(NC(=O)[C@@]3(C)C[C@H]3C)cc2)CCC1 1790424461 IZLDRDSLMVDXIH-CMJOXMDJSA-N 437.496 4.403 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3nccs3)CCC2)cc1)c1cc(F)cc([N+](=O)[O-])c1 1790696584 MDGZFMFOBZSZFY-UHFFFAOYSA-N 440.456 4.252 5 20 IIBD CC[C@@H](C)[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1 1792397461 MCZSKOKBAYIRGX-DRASZATQSA-N 439.512 4.270 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)C2CCCCC2)[nH]n1)c1ccc([N+](=O)[O-])cc1F 1821051972 OTGUEMFJFFSUPD-IBGZPJMESA-N 443.479 4.343 5 20 IIBD Cc1c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(F)CC3)[nH]n2)cc(Cl)cc1[N+](=O)[O-] 1821292346 BYIZJLJDQCTIMC-HNNXBMFYSA-N 449.870 4.088 5 20 IIBD CC(C)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])[nH]n1 1821932490 BATKZDMGEHAQHD-KRWDZBQOSA-N 431.468 4.199 5 20 IIBD CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(F)c3[N+](=O)[O-])CC2)CCC1 1830616259 GFQCJTUOJYASBL-LJQANCHMSA-N 431.508 4.157 5 20 IIBD CC(=O)CCc1ccc2oc(C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)c(C)c2c1 8876485 CXMOTLVVOPSMSQ-OAHLLOKOSA-N 438.436 4.355 5 20 IIBD Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 15409702 LWUXILOYGSJRTH-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCN(c2ccccc2F)CC1 15433637 WQVPZBDGOYVBSW-UHFFFAOYSA-N 434.471 4.308 5 20 IIBD CCOC(=O)c1sc2cccc(F)c2c1COC(=O)COc1ccccc1[N+](=O)[O-] 17483440 RIMUKLGWSIFJEY-UHFFFAOYSA-N 433.413 4.248 5 20 IIBD Cc1nc(COc2cccc(C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)c2)cs1 17737368 XPLSBHFBHOKJKC-ZDUSSCGKSA-N 441.465 4.123 5 20 IIBD O=C(COC(=O)COc1ccc(Cl)c2ccccc12)Nc1cc([N+](=O)[O-])ccc1F 19486335 AAXVSJKXGOWJNK-UHFFFAOYSA-N 432.791 4.101 5 20 IIBD COc1ccccc1/C=C(/C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 20753503 SQBOJRUXZDXWPL-XDJHFCHBSA-N 432.432 4.326 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)OCc2ccc(Cl)nc2)cc1[N+](=O)[O-] 22265951 MOEQKXMYARRDOZ-UHFFFAOYSA-N 439.855 4.297 5 20 IIBD CCN(CC)C(=O)c1ccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1Cl 27395976 SZRXIZHRGSHEAC-UHFFFAOYSA-N 441.875 4.168 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)c1C 60274946 LCLFKBYXTNKXRD-UHFFFAOYSA-N 446.529 4.420 5 20 IIBD O=C(NCCc1ccc(F)cc1)[C@H]1Cc2ccccc2CN1Cc1cccc([N+](=O)[O-])c1 61225995 KYMAXIIHOQWHAJ-XMMPIXPASA-N 433.483 4.020 5 20 IIBD O=C(Nc1cccc(CN2CCOCC2)c1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 72034074 XKEADPPKFCVIGN-UHFFFAOYSA-N 433.464 4.472 5 20 IIBD O=C(c1ccc(Br)c([N+](=O)[O-])c1)N(Cc1cccs1)C[C@@H]1CCCO1 104919735 LAJORQIOVHEZHM-ZDUSSCGKSA-N 425.304 4.240 5 20 IIBD COc1cc(OC)c(NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)cc1Cl 105970752 FSDAAQLRXBIOQH-UHFFFAOYSA-N 426.878 4.146 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(C(=O)NC2CCCC2)cc1 108052090 BKYDKEFTFDZHOW-UHFFFAOYSA-N 439.515 4.466 5 20 IIBD COc1cc(C(=O)Nc2ccnc3ccnn23)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 110836388 JTNBQPYJUDIVMP-UHFFFAOYSA-N 439.815 4.344 5 20 IIBD CCOc1cc(C(=O)Nc2ccnn2[C@H]2CCCc3ccccc32)c([N+](=O)[O-])cc1OC 115955134 NENSVPALTJZGEC-SFHVURJKSA-N 436.468 4.377 5 20 IIBD O=C(CCc1ncc(-c2ccccc2Br)o1)NCc1ccccc1[N+](=O)[O-] 195609550 BUNCVWJWNSRPAM-UHFFFAOYSA-N 430.258 4.261 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 255927843 QYRPYYNAOQXCOO-GOSISDBHSA-N 444.488 4.472 5 20 IIBD Cc1ccc(NC(=O)NC[C@@H]2CCCN(c3c(Br)cncc3[N+](=O)[O-])C2)cc1 301843673 RQKHBYIVZMAPSX-AWEZNQCLSA-N 448.321 4.099 5 20 IIBD COc1cc(CCNC(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC 302903927 VZIOXSKUNICGMW-GFCCVEGCSA-N 441.406 4.234 5 20 IIBD O=C(Nc1ccc(Br)c(I)c1)c1cccc([N+](=O)[O-])c1 312345364 DPQNTHONQCJIEQ-UHFFFAOYSA-N 447.026 4.214 5 20 IIBD Cc1cc(S(=O)(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)ccc1Br 324533888 HZEOZYARWNDXQN-UHFFFAOYSA-N 428.289 4.076 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H]1CCOC2(CCCCC2)C1 425993184 JUMYSPSSVPYDHH-OAHLLOKOSA-N 444.454 4.207 5 20 IIBD Cc1ccc(C)c(C(=O)c2ccccc2C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 427811009 HXEGADOIQGVUAS-UHFFFAOYSA-N 432.480 4.116 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(CCc1ccccn1)Cc1cccnc1 431303533 ZDFYPAXZQSFOOS-INIZCTEOSA-N 440.887 4.077 5 20 IIBD C[C@@H]1C[C@@H](N(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCN1Cc1ccccc1 431494383 LIWFSWSFQAZNQI-BEFAXECRSA-N 446.345 4.482 5 20 IIBD COc1ccc(-c2ncc(C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)s2)cc1OC 436017442 YHCIXKOKHJOADU-UHFFFAOYSA-N 433.873 4.319 5 20 IIBD O=C(NCCOc1ccc(Br)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 438007515 DATNLRWIIPENKI-UHFFFAOYSA-N 434.290 4.110 5 20 IIBD CO[C@H](C)c1nc(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cs1 438989300 YTPAZHIVFTYQBJ-CQSZACIVSA-N 426.498 4.301 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc(CCC(F)(F)F)cc1 439656501 SCTCNYNEFAMHCK-UHFFFAOYSA-N 437.374 4.417 5 20 IIBD COc1ccc(NC(=O)C(=O)N(CC=C(C)C)Cc2ccc(Cl)cc2)cc1[N+](=O)[O-] 440127626 BJGSVCPASBOVQF-UHFFFAOYSA-N 431.876 4.190 5 20 IIBD CN(C)C(=O)c1ccc(CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])cc1 440443779 KDYDHUYOIJHPIO-UHFFFAOYSA-N 435.505 4.378 5 20 IIBD O=C(NCCc1ccn(-c2ccc(F)cc2)n1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444101320 OWYGWSLHCUOIEN-UHFFFAOYSA-N 444.441 4.118 5 20 IIBD O=C(N[C@@H]1CCCN(c2ccccc2F)C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444284804 FUHLFAWZRAATAZ-OAHLLOKOSA-N 433.458 4.358 5 20 IIBD O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 444296793 HJVNLTNPSTUFCR-NRFANRHFSA-N 449.869 4.009 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(-c3cc(NC(=O)CC(C)(C)C)ccc3Cl)n2)n1C 445617064 VKDUWHLRWMFREJ-UHFFFAOYSA-N 432.868 4.382 5 20 IIBD Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1 445933775 ZVEPQXSAIHGKQD-AZUAARDMSA-N 433.302 4.245 5 20 IIBD O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl 464211009 WIIWVDRWKMMZGI-QHCPKHFHSA-N 438.867 4.468 5 20 IIBD CCc1cccc2c1OCC[C@@H]2NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465836326 NIWFMHPWRVGTDC-NRFANRHFSA-N 425.485 4.234 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc(SC)cc1 466669377 FZRRSUKWVZIOSV-CYBMUJFWSA-N 434.539 4.463 5 20 IIBD COc1ccccc1CN(Cc1cccs1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 467264047 HVTYWFNIWZLSIO-UHFFFAOYSA-N 438.552 4.426 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])Cc1cc(Br)cc(Br)c1N 469895433 BMRLRDRSADQTFW-UHFFFAOYSA-N 429.112 4.334 5 20 IIBD C[C@H]1CCC[C@H](OCc2cccc(NC(=O)C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)c2)C1 472723050 FFNLZYZZOZIMNJ-XOBRGWDASA-N 429.448 4.406 5 20 IIBD COc1c(C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)cccc1[N+](=O)[O-] 475763022 WCDMZJRISIHQFD-MRXNPFEDSA-N 429.231 4.263 5 20 IIBD CCOc1cc(Br)ccc1N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 477620758 WSJZZKCAROJMOI-NSHDSACASA-N 438.278 4.204 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 478221681 CPCXPYBBYHOXQP-NVXWUHKLSA-N 446.500 4.455 5 20 IIBD COC(=O)c1cnc(NC[C@@H](c2ccccc2)N2CCc3sccc3C2)c([N+](=O)[O-])c1 478293333 QPHFBZRHHPBVHF-IBGZPJMESA-N 438.509 4.049 5 20 IIBD Cc1c([C@H](NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)C)oc2ccccc12 482830637 YIUUNFIAPVFNGZ-HXUWFJFHSA-N 441.509 4.354 5 20 IIBD O=C1NCc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3Cl)cc21 486581178 SKELMAZECOFJCU-UHFFFAOYSA-N 436.855 4.356 5 20 IIBD CC(C)N(C)S(=O)(=O)c1ccc(N(C)C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 489659747 VWEUIILIGFFKIH-UHFFFAOYSA-N 447.557 4.198 5 20 IIBD COc1cc(CNc2cc(OC(F)F)n(C)n2)c([N+](=O)[O-])cc1OCc1ccccc1 494460565 ZRUGGNWIRPSDAH-UHFFFAOYSA-N 434.399 4.129 5 20 IIBD COC(=O)c1cccc(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1Br 495008363 ROJNQILOHJNMLU-UHFFFAOYSA-N 442.653 4.119 5 20 IIBD C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CC[C@H](Nc2ccccc2)C1 495058383 JBAGMEHYOHVHJY-QAPCUYQASA-N 437.525 4.232 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 498409262 JHXLECHPWVCLJO-KNQAVFIVSA-N 430.508 4.270 5 20 IIBD CCOC(=O)c1ncc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)s1 499545689 RNBAQYNXSVZKGM-UHFFFAOYSA-N 443.437 4.281 5 20 IIBD O=C(Nc1ccc2nc(C(F)F)sc2c1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 500251874 MAIXUURMYHRHSW-UHFFFAOYSA-N 446.435 4.272 5 20 IIBD Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 501664891 QLFVUZVBQZNDQW-UHFFFAOYSA-N 447.538 4.399 5 20 IIBD COc1cc(C(=O)N2CCC[C@H]2C[C@H](C)O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 504747036 XPFALHSRVVTLPT-BBRMVZONSA-N 434.876 4.425 5 20 IIBD CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] 506307555 GYEBHBZLQICPML-UHFFFAOYSA-N 442.299 4.379 5 20 IIBD CN(CCCc1cc(-c2ccccc2)n[nH]1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 507613041 MXRRLPCUNXQAGL-UHFFFAOYSA-N 427.892 4.141 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCc2ccccc21 509116499 BIHJRWMBNVHBKH-KRWDZBQOSA-N 436.249 4.267 5 20 IIBD COc1cc(C(=O)N2C[C@@H](C)c3ccccc32)c([N+](=O)[O-])cc1OCc1cscn1 509925039 CUAQLEZMULWFJG-CYBMUJFWSA-N 425.466 4.403 5 20 IIBD Cc1c(Br)cc(C(=O)N(C)C[C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] 510061215 OLHDDXMAPQRYDW-QGZVFWFLSA-N 446.345 4.260 5 20 IIBD C[C@@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCCN(C2CCC2)C1 511284075 CRCAVQIWKHRZJS-CABCVRRESA-N 442.482 4.185 5 20 IIBD COc1cc(C(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)c([N+](=O)[O-])cc1OC 511453216 HCRUIZXEQFJNEG-UHFFFAOYSA-N 435.408 4.190 5 20 IIBD COc1ccccc1O[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 513410970 IJIPPMDZGPGJOD-GOEBONIOSA-N 433.892 4.127 5 20 IIBD CC(C)(C(=O)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2)c1ccccc1[N+](=O)[O-] 513708123 NFGJAZWDSJUHCS-UHFFFAOYSA-N 435.452 4.215 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](c2ccccc2)C1 513769668 NVRZANZJPKTMQA-HDJSIYSDSA-N 436.249 4.184 5 20 IIBD CCOC(=O)c1ccnc(NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c1[N+](=O)[O-] 514891243 RFAXCIZLQCJXRA-UHFFFAOYSA-N 438.415 4.170 5 20 IIBD CCCC(=O)Nc1ccc(Cl)c(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c1 516120702 QUPRFPLWCGDXFX-UHFFFAOYSA-N 432.864 4.413 5 20 IIBD CC1CCN([C@H](CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c2cccs2)CC1 516341952 ILUUVXFYZPBYQP-MRXNPFEDSA-N 443.978 4.061 5 20 IIBD COc1cc([C@@H](C)NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OCCC(C)C 516431692 ZZFXMPQLYBXWBK-MRXNPFEDSA-N 443.500 4.153 5 20 IIBD Cn1c([C@@H]2CCCCN2C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)nc2ccccc21 517661377 RIBCZOIFQBOLFC-FQEVSTJZSA-N 430.468 4.035 5 20 IIBD O=[N+]([O-])c1cc2c(c(C[S@](=O)Cc3coc(-c4cccc(Cl)c4)n3)c1)OCOC2 521590123 LZQYJOPXGODCCQ-LJAQVGFWSA-N 434.857 4.219 5 20 IIBD CC(C)(C)CN(Cc1ccccc1)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 521929509 ZNLAMVXAKHEYJU-KRWDZBQOSA-N 429.542 4.336 5 20 IIBD Cn1ccnc1SCc1cccc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)c1 523833904 KMLGRNQTDIGULW-UHFFFAOYSA-N 434.481 4.263 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CN1CCC(C(=O)Nc2ccccc2Br)CC1 533373011 YEYSIABLSXKOKA-UHFFFAOYSA-N 448.317 4.217 5 20 IIBD CCCOc1cc(NC(=O)N2CC[C@@H](C3CCN(C)CC3)C2)c([N+](=O)[O-])cc1OCCC 535946647 RPWNFMUOVBFQIN-GOSISDBHSA-N 448.564 4.368 5 20 IIBD Cc1ccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1N1CCCS1(=O)=O 536098203 HYOQBXXCQHIHEY-UHFFFAOYSA-N 444.538 4.179 5 20 IIBD COc1ccccc1[C@@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1ccccn1 536304617 FYLDCATWZCSRKD-JOCHJYFZSA-N 443.463 4.164 5 20 IIBD Cn1cnn(-c2ccc(NCc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)cc2)c1=O 536388301 KOHROMFWYNQHOZ-UHFFFAOYSA-N 435.415 4.023 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cn(-c2cccc(Cl)c2F)nn1 538451201 IVDVNLWUDHCFKH-UHFFFAOYSA-N 444.835 4.344 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c1 539526513 VFDVVVWKVWXFSP-QGZVFWFLSA-N 448.479 4.197 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1nn(-c2ccccc2)c2c1CCC2 541287232 UUPRVIKIFSHBTF-UHFFFAOYSA-N 442.928 4.331 5 20 IIBD O=C(CN[C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)Nc1ccccc1[N+](=O)[O-] 542015522 LYKNUCOIHYGCNV-HNNXBMFYSA-N 437.296 4.325 5 20 IIBD Cc1cccc(CN(Cc2ccccn2)S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1 543679818 IZWULIRHGXFPOG-UHFFFAOYSA-N 425.510 4.306 5 20 IIBD O=C(NCCc1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc([N+](=O)[O-])cc12 544309063 ZVLIUOXXYAJJOX-UHFFFAOYSA-N 427.258 4.292 5 20 IIBD CCCc1c(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cnn1-c1cc(C)ccn1 544863809 CAXVTMAAVXINFS-UHFFFAOYSA-N 448.527 4.292 5 20 IIBD COc1ccc(C2(c3nc(Cc4c[nH]c5ccc([N+](=O)[O-])cc45)no3)CCOCC2)cc1 545293965 PAYIAYGGIGOWGK-UHFFFAOYSA-N 434.452 4.155 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H]2CCSc3c(F)cccc32)cc1[N+](=O)[O-] 551401613 JDDZBQSNMGLRMI-INIZCTEOSA-N 431.489 4.323 5 20 IIBD COc1cc(CN2Cc3cnn(-c4ccccc4)c3C2)c([N+](=O)[O-])cc1OCC(F)(F)F 556980843 KMSUNRZRUATWQJ-UHFFFAOYSA-N 448.401 4.246 5 20 IIBD CC(C)c1[nH]nc(C(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)c1[N+](=O)[O-] 557438785 UHRSFNLJOXRUNY-SMDDNHRTSA-N 426.395 4.062 5 20 IIBD CC(C)c1nc(C(=O)N(C)c2ccc([N+](=O)[O-])nc2)nn1-c1c(Cl)cccc1Cl 558179356 HHNSRFDPAOKMFB-UHFFFAOYSA-N 435.271 4.277 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC(Cc2ccc(F)c(F)c2)C1 559546305 CLDDQZYCBDAAIF-UHFFFAOYSA-N 425.229 4.259 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1noc([C@H]2CN(Cc3ccccc3)CCC2(F)F)n1 563652417 XEIRWKHZNVQCRG-QGZVFWFLSA-N 443.454 4.257 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccc(F)c(-c3nc[nH]n3)c2)cc1[N+](=O)[O-])c1ccccn1 564004957 NPUCOBAXPTWSGX-ZDUSSCGKSA-N 447.430 4.339 5 20 IIBD COc1ccc(C)cc1Cc1noc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 569619362 PDALFUXUFXYGBX-LJQANCHMSA-N 436.468 4.171 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@H](Oc2ccc(Cl)cc2)C1 581270826 UKWAPEPGFXECJN-AWEZNQCLSA-N 425.666 4.304 5 20 IIBD COc1cccc(CN(C(=O)Cn2cc([N+](=O)[O-])c(C)n2)C23CC4CC(CC(C4)C2)C3)c1 583522734 WDTAICOVQBUEMF-UHFFFAOYSA-N 438.528 4.106 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)ccc1Cl 585696747 NADCJZVBPVGFJM-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD CC(=O)Nc1cccc([C@@H](C)NCc2cc(I)cc([N+](=O)[O-])c2)c1 589258300 ITTLIGWVYZTDKG-LLVKDONJSA-N 439.253 4.009 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NC/C=C\c1cccnc1 590396847 DWDPQMUNMOVHKG-ALCCZGGFSA-N 439.475 4.215 5 20 IIBD C[C@@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1)c1cccc([N+](=O)[O-])c1 603966532 FTUIPPLAQLAKCO-QGZVFWFLSA-N 427.464 4.393 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(OCc3ccccc3)nc2)cc1[N+](=O)[O-] 603971177 GWPWEKYOIBJWCZ-UHFFFAOYSA-N 439.493 4.449 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(Cc1ccccc1)Cc1ccccc1F 608878374 AHONPEGYBOCELH-QGZVFWFLSA-N 435.455 4.081 5 20 IIBD Cc1cccc(C2(CNC(=O)CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])CCCCC2)c1 609392127 RGSKBJAHQJBCHT-UHFFFAOYSA-N 443.931 4.305 5 20 IIBD C[C@H](NC(=O)CSCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccccc1Cl 609770256 IKLRBHCSORXSEM-ZDUSSCGKSA-N 449.916 4.157 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1C[C@H]1c1cccc(F)c1F 610196197 MSTXVALSCBQPPE-QWHCGFSZSA-N 429.345 4.224 5 20 IIBD O=C(NC1CCN([C@@H]2CCCC[C@H]2O)CC1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611213438 CKVRPWWCBORULV-NHCUHLMSSA-N 447.601 4.127 5 20 IIBD Cn1ccnc1[C@H](NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1cccc([N+](=O)[O-])c1 611560437 GTSGOBKIBCNWOE-HRAATJIYSA-N 425.920 4.187 5 20 IIBD Cc1cc(C)c2c(-c3ccccc3)nc(SCc3ccc(C(N)=O)cc3[N+](=O)[O-])n2n1 612415762 YHDNCUZXGLAPMC-UHFFFAOYSA-N 433.493 4.313 5 20 IIBD CCCC(=O)NC1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 619649295 IYORHDKNINOJGE-UHFFFAOYSA-N 427.526 4.267 5 20 IIBD COc1cc(CN2CCOc3cccc(F)c3C2)c([N+](=O)[O-])cc1OCC(F)(F)F 619846135 RGMZMWCUPUNDAA-UHFFFAOYSA-N 430.354 4.078 5 20 IIBD C[C@@H](OC(=O)CC[C@@H](O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 726872879 JYBBYVIRHZOVLY-JLTOFOAXSA-N 446.475 4.415 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1ccc(Sc2nncs2)c(Cl)c1 728187331 GDJNAXGNBXMQNL-UHFFFAOYSA-N 446.894 4.191 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2cccc(SC)c2)cc1SC 728650994 OOFZBRLOHUOVAL-NSHDSACASA-N 436.511 4.231 5 20 IIBD COc1ccnc(COC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 730296167 VNRFFAKJFWJDGM-UHFFFAOYSA-N 441.827 4.261 5 20 IIBD Cc1ccc(C(C)C)c(OCC(=O)OC[C@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])c1 730704215 OKBZZUXWNAVHLF-GOSISDBHSA-N 440.496 4.253 5 20 IIBD O=C(CCc1nc(O)c2c3c(sc2n1)CCC3)OCc1ccc(Cl)cc1[N+](=O)[O-] 734885618 DRGYRMMROVDPLM-UHFFFAOYSA-N 433.873 4.123 5 20 IIBD C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 738774968 GYUWTZJDUJQNCA-FZKQIMNGSA-N 436.386 4.141 5 20 IIBD C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 740803086 RFIZGFSZLNYXPX-FQEVSTJZSA-N 436.556 4.322 5 20 IIBD COc1c([N+](=O)[O-])cc(NC[C@@H](O)c2ccccc2Cl)c([N+](=O)[O-])c1Br 740871860 PZTZDRHYJKSSEM-GFCCVEGCSA-N 446.641 4.073 5 20 IIBD CC(=O)Nc1ccc2c(COc3ccc(Br)cc3[N+](=O)[O-])cc(=O)oc2c1 741856846 WHMMTCUVHNBUOA-UHFFFAOYSA-N 433.214 4.001 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)cc1 742265440 JVBRSVAASLWRDE-UHFFFAOYSA-N 426.166 4.144 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc(OS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 742315486 KHXGKEWZLIUPFC-UHFFFAOYSA-N 428.850 4.363 5 20 IIBD COc1c([N+](=O)[O-])cc(N[C@H](C)CCc2cccn2C)c([N+](=O)[O-])c1Br 742418496 SDIUWEMPXUEHPH-SNVBAGLBSA-N 427.255 4.046 5 20 IIBD O=C(NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1Sc1ccccc1 744009430 RYWJDZOSJUVXMW-UHFFFAOYSA-N 428.491 4.006 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 746322399 PENDFZIXCOKZSE-FGZHOGPDSA-N 429.492 4.354 5 20 IIBD COc1ccccc1NC(=O)[C@@H](OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(C)C 747125692 PIUFBGUOLKUNRD-KRWDZBQOSA-N 440.374 4.442 5 20 IIBD COc1ccccc1C1(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)CC1 750853397 CESVATMPEYYTAI-UHFFFAOYSA-N 439.693 4.481 5 20 IIBD Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(Br)cc1[N+](=O)[O-] 750964841 NFNYWEIGXKYAIE-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD CC(C)(C)OC(=O)N(CC1CC1)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 751070320 SQBXSWHIIYJYHO-UHFFFAOYSA-N 437.924 4.500 5 20 IIBD Cc1nnc(Sc2ccc(NS(=O)(=O)c3cccc(F)c3[N+](=O)[O-])c(C)c2)s1 751282897 REGYPMSRBGMDLD-UHFFFAOYSA-N 440.503 4.154 5 20 IIBD O=C(CN(Cc1ccccc1)C[C@H](O)c1ccco1)Nc1ccc(Cl)c([N+](=O)[O-])c1 752345293 IQRXUDRXCCIDAY-IBGZPJMESA-N 429.860 4.016 5 20 IIBD O=C(COC(=O)c1c(F)ccc([N+](=O)[O-])c1F)Nc1ccc2c(c1)OC1(CCCCC1)O2 752560876 YUBISWMYXZQWDC-UHFFFAOYSA-N 448.378 4.100 5 20 IIBD O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 752872983 GRNSPKGQQNBEQL-UHFFFAOYSA-N 431.408 4.019 5 20 IIBD CC(C)(C)OC(=O)N1CCc2c(NC(=O)CCNc3ccccc3[N+](=O)[O-])cccc21 753777835 XJBZPEWVSJPXBA-UHFFFAOYSA-N 426.473 4.333 5 20 IIBD CNc1ccc(C(=O)N(Cc2ccccc2)C[C@H](O)c2cccc(OC)c2)cc1[N+](=O)[O-] 755206471 LYTLXBAJZCBTRO-QHCPKHFHSA-N 435.480 4.021 5 20 IIBD Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)c1cccc([N+](=O)[O-])c1Br 759319921 BDFYMCAKPFQWQT-UHFFFAOYSA-N 432.274 4.058 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)CC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 759844686 HGBZAZACBDLVGV-CHWSQXEVSA-N 448.859 4.036 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cc(F)c(F)cc1I 760304856 OPHMESIADAYBAQ-UHFFFAOYSA-N 438.555 4.383 5 20 IIBD O=C(Cc1ccc(Br)c(F)c1)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760543356 SWZCPFHGINHDBR-UHFFFAOYSA-N 435.205 4.437 5 20 IIBD O=C(NCCCNc1ccc(C(F)(F)F)cn1)c1cccc([N+](=O)[O-])c1Br 760788060 FSKSAPMOPGAIKN-UHFFFAOYSA-N 447.211 4.003 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@H](c2nc(Cc3cc(Br)ccc3F)no2)C1 761655155 ZPANSIUQUJTGGS-INIZCTEOSA-N 447.220 4.336 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)c1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 767081254 WWHICJZPKSHREX-LBPRGKRZSA-N 431.401 4.308 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 768273509 IMFMAHCWWIWODM-OAHLLOKOSA-N 449.504 4.166 5 20 IIBD Cc1c(C(=O)COC(=O)c2cc(Br)ncc2[N+](=O)[O-])sc2ccccc12 769826753 WZPHQUFMKCIZGB-UHFFFAOYSA-N 435.255 4.315 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1OCCc1nc(-c2c(Cl)nc3sccn23)no1 771322380 RMGOVVLMGLOWTN-UHFFFAOYSA-N 426.241 4.282 5 20 IIBD CCNC(=O)c1cc(Cl)ccc1NC(=O)c1sc(Br)cc1[N+](=O)[O-] 772247051 RMDDFZJRLBNPEJ-UHFFFAOYSA-N 432.683 4.074 5 20 IIBD CCCN1C(=O)CCc2cc(NC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)ccc21 774004574 BYDNLUXHCYLELM-UHFFFAOYSA-N 426.429 4.061 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCC(C(N)=O)CC2)cc1 775483912 XOXGDHOYIMYMMV-UHFFFAOYSA-N 442.541 4.049 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 777967457 IMMXVSFTIKOIEH-UHFFFAOYSA-N 433.436 4.141 5 20 IIBD CC(=O)c1cccc(NC(=O)[C@@H](OC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C(C)C)c1 778169225 IVECMUQJDFJOSI-SFHVURJKSA-N 434.395 4.096 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)[C@@H]1CCN(Cc2ccccc2)C1 779009303 FUGDGACXPDAUIP-TZIWHRDSSA-N 436.556 4.226 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccc(F)cc1 781261417 ULMMNDNUNZSOQL-LSDHHAIUSA-N 432.451 4.243 5 20 IIBD O=C(Nc1c(-c2ccccc2)nc2ccccn12)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781572209 ONICUBAVNNBXHQ-IBGZPJMESA-N 427.420 4.041 5 20 IIBD COc1ccc(-c2noc(COC(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)n2)c(OC)c1 784260058 ZPZGPUIPQLFRCN-UHFFFAOYSA-N 427.413 4.142 5 20 IIBD COc1ccc(-c2ccc(CN3CCCN(c4ncccc4F)CC3)o2)c([N+](=O)[O-])c1 784680845 VDZZUYABKHAGMU-UHFFFAOYSA-N 426.448 4.110 5 20 IIBD Cc1ccc(NC(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)cc1[N+](=O)[O-] 784773847 CJWKRQFGMMNAHQ-UHFFFAOYSA-N 428.242 4.396 5 20 IIBD C[C@H](OC(=O)c1c2c(nc3ccccc13)CCC2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 788453454 FBCUZQVUVVTVCH-LBPRGKRZSA-N 439.855 4.469 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)N(C)Cc2csc3ccccc23)c(C)c1[N+](=O)[O-] 790828074 ZTIBLNROHOWDNL-UHFFFAOYSA-N 435.483 4.155 5 20 IIBD Cc1nc2cc(C(=O)N3CCCC[C@@H]3CCOC(=O)c3cccc([N+](=O)[O-])c3)ccc2o1 792066672 PUPABFPRKJVFHT-GOSISDBHSA-N 437.452 4.286 5 20 IIBD CCC[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@H](O)c1ccccc1 792581397 LNNWQGOZCPPVHN-RHSMWYFYSA-N 425.254 4.129 5 20 IIBD C[C@@H](c1ccccc1F)N(C)S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] 795806322 UJHLQTQZJQVCSQ-VIFPVBQESA-N 435.246 4.017 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)O[C@@H]2CCCOc3c(F)cccc32)ccc1[N+](=O)[O-] 797093127 OWOFTUVOYFOWIX-WOJBJXKFSA-N 442.443 4.104 5 20 IIBD O=C(c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O)N(Cc1ccco1)Cc1ccco1 798279723 SKWUHFLICPOPTK-UHFFFAOYSA-N 442.815 4.168 5 20 IIBD O=C([C@@H]1CCCc2c(O)cccc21)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 803545662 KNYFGFBGOMHDIK-OAHLLOKOSA-N 431.286 4.068 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1nc2ccccc2cc1Br 808705108 SFWDMZVHLJZHCX-UHFFFAOYSA-N 444.241 4.009 5 20 IIBD O=[N+]([O-])c1ccc(N2CCOCC2)c(-c2nc(Cc3ccc(Cl)c(Cl)c3)no2)c1 809260941 PNFAYWNGSMBDOF-UHFFFAOYSA-N 435.267 4.379 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccccc1)C[C@H](O)c1cnn(CC)c1 810319664 JWOSRPKVQSOAPQ-QFIPXVFZSA-N 437.500 4.141 5 20 IIBD CC[C@@H](C)N(Cc1ccccc1)C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810391943 QXQBQTQBTWPMIP-CYBMUJFWSA-N 434.290 4.123 5 20 IIBD CC(C)(C)OC(=O)Nc1cnc(C(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cn1 811083657 OQYDFHUBLHOQQX-UHFFFAOYSA-N 443.243 4.396 5 20 IIBD COc1ccccc1[C@@H](C)N(C)C(=O)COC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811374288 DZBVCTDVIVUGQQ-LLVKDONJSA-N 441.267 4.287 5 20 IIBD COCCn1c(-c2c[nH]c3ccccc23)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 812078181 UJDGPNIFFCISKG-UHFFFAOYSA-N 432.484 4.150 5 20 IIBD O=C(NCc1ccco1)c1cccc(CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 812919306 KLVNGZZZTPDOET-UHFFFAOYSA-N 448.262 4.355 5 20 IIBD Cc1ccc(C(=O)OCC(=O)NCCC(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 848944030 AFVLNTZTFUNCAI-UHFFFAOYSA-N 432.476 4.398 5 20 IIBD COc1ccc([N+](=O)[O-])cc1OC(=O)[C@H](C)Oc1ccc(Cl)cc1Br 887884240 OILJXXQMQSSCGQ-VIFPVBQESA-N 430.638 4.392 5 20 IIBD CC(=O)Nc1cccc(NC(=S)/C(=C(/O)c2cccc([N+](=O)[O-])c2)[n+]2cccc(C)c2)c1 913141517 YUTIEGVBBZQOMI-UHFFFAOYSA-O 449.512 4.472 5 20 IIBD CCc1c(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cnn1-c1ccc(C)cc1 914639435 OONNYSAEWKVUBM-UHFFFAOYSA-N 442.859 4.100 5 20 IIBD COCCOc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)ccc1OC 914780372 ALHAAPSHMFSTCF-UHFFFAOYSA-N 443.500 4.117 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 915301931 UOMPKRVSGUFJTN-QGZVFWFLSA-N 430.417 4.016 5 20 IIBD COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CC3 915308727 PBPSKBWHQTZMEA-UHFFFAOYSA-N 428.832 4.106 5 20 IIBD CC(C)[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccc(Cl)cc1 918557210 GRPGWBLIDVKNND-JLTOFOAXSA-N 433.867 4.254 5 20 IIBD COc1cc(CNc2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])ccc1C 919722686 GNPBPUIZCLMMHM-UHFFFAOYSA-N 426.223 4.203 5 20 IIBD CN(C)Cc1ccc(C(N)=O)cc1NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 1340717567 PRLOQBHLWZZAIZ-UHFFFAOYSA-N 428.876 4.281 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)CCc4cccc([N+](=O)[O-])c4)CCC3)cc2)on1 1787399863 UTXHODUTQAJLNK-UHFFFAOYSA-N 448.479 4.272 5 20 IIBD Cc1ncccc1CCC(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1 1790184508 WPTMZKMATZYRIN-UHFFFAOYSA-N 447.495 4.007 5 20 IIBD Cc1cc(CCCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@]2(C)C[C@H]2C)C3)c([N+](=O)[O-])cc1F 1793405350 OINLKNBEVQCOFG-COYHTZKBSA-N 445.535 4.049 5 20 IIBD CCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc([N+](=O)[O-])c(O)cc2C)n[nH]1 1821345546 NALIQYHJADOFOC-MRXNPFEDSA-N 443.504 4.074 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCC3CCC3)CC2)ncc1[N+](=O)[O-] 1827827625 RGCUUTQSCQCTSL-NRFANRHFSA-N 442.560 4.112 5 20 IIBD Cc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C(F)F)CC2)cc(Cl)cc1[N+](=O)[O-] 1830735442 KSJABYKZVIYAMB-INIZCTEOSA-N 443.878 4.055 5 20 IIBD O=C(COC(=O)c1ccc(OC(F)F)cc1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9349973 BIQCIBZZUIGLHI-UHFFFAOYSA-N 434.273 4.011 5 20 IIBD Cc1cc(C(=O)NCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)ccc1[N+](=O)[O-] 9688049 BRNWMFJTFWVGFO-UHFFFAOYSA-N 430.873 4.049 5 20 IIBD O=C(COC(=O)c1occc1COc1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 12189330 YEYTXGDQTQKMFG-UHFFFAOYSA-N 430.800 4.216 5 20 IIBD COc1cc([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc1OC(C)C 30361060 UNMDAUDLCAUKIJ-LBPRGKRZSA-N 428.894 4.084 5 20 IIBD CC(C)NC(=O)Cc1ccc(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)cc1 32454729 YHXRYWHOIGGCNK-KRWDZBQOSA-N 438.528 4.151 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C(=O)Nc2ccccc2)c2ccccc2)cc1OC 60724711 RRFCONBNQDIWKO-JOCHJYFZSA-N 449.463 4.112 5 20 IIBD O=C(Nc1cc(Br)ccc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1Cl 69727820 ACPFXPPJKZMKFK-UHFFFAOYSA-N 440.681 4.100 5 20 IIBD COc1ccc(OC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)c([N+](=O)[O-])c1 105688238 QVKVNPYGYVUYSR-VIFPVBQESA-N 430.638 4.392 5 20 IIBD Cc1nccn1-c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1F 108990533 UHHYWDJXVDOLSS-UHFFFAOYSA-N 437.475 4.148 5 20 IIBD CN(C)C(=O)COc1cccc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1 236963643 PKCLNJGAKCVFGL-UHFFFAOYSA-N 425.510 4.080 5 20 IIBD O=[N+]([O-])c1ccc(N2CCCN(Cc3cn4cc(Cl)ccc4n3)CC2)c2ccncc12 301486274 HSNSLOBNDFTPND-UHFFFAOYSA-N 436.903 4.156 5 20 IIBD CNc1ccc(C(=O)Nc2ccc(I)cc2Cl)cc1[N+](=O)[O-] 317567348 AJZWXQYAUQMACX-UHFFFAOYSA-N 431.617 4.147 5 20 IIBD O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 409925461 RMASGRHGUSOVLL-ZDUSSCGKSA-N 443.301 4.095 5 20 IIBD C[C@H](NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[C@@H](C)c1ccccc1C(F)(F)F 426251945 LSUHFBIBFMDSOP-KGLIPLIRSA-N 439.438 4.349 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1nnc(Cc2ccc(Cl)cc2)s1 426282310 HIBQZUPYSBMPJK-UHFFFAOYSA-N 427.873 4.284 5 20 IIBD C[C@H]1CN(CCC2CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC2)C[C@H](C)O1 427297704 WDEWAGDCVNAZMI-ROUUACIJSA-N 431.577 4.244 5 20 IIBD COc1cc(C(=O)N(C)Cc2cc(Br)ccc2Cl)c([N+](=O)[O-])cc1OC 427748504 OHAPDSJAODRZOG-UHFFFAOYSA-N 443.681 4.300 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCc1ccccc1CN1CCCCCC1 428030808 JALJIMMXVXAXFD-UHFFFAOYSA-N 448.523 4.214 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2ncccc2Cl)CC1 429265435 PTCYEVUCGHFYIJ-UHFFFAOYSA-N 435.933 4.402 5 20 IIBD O=[N+]([O-])c1ccc2nc(NS(=O)(=O)c3cc(Br)ccc3Cl)sc2c1 430084525 YQZKXLWINAFQCM-UHFFFAOYSA-N 448.707 4.421 5 20 IIBD Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 430540018 RJOHXBRQZJWRFF-UHFFFAOYSA-N 431.496 4.392 5 20 IIBD COc1cc(CCNC(=O)N2CCCC[C@@H]2c2ccc(F)cc2F)c([N+](=O)[O-])cc1OC 432566351 CCPOGEJGHGDUQB-GOSISDBHSA-N 449.454 4.370 5 20 IIBD O=C(Nc1nc(/C=C/c2ccccc2)cs1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 435869408 XGAPJGOMMXHJDI-SOFGYWHQSA-N 448.460 4.127 5 20 IIBD C[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccc(NC(=O)NC2CC2)cc1 436063434 DFNPAYIMVXQMLA-HNNXBMFYSA-N 440.503 4.456 5 20 IIBD Cc1ccccc1C1(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCOCC1 436148550 FYXDDGNGNBAULD-UHFFFAOYSA-N 426.516 4.468 5 20 IIBD C[C@@H](C(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1)n1cccn1 437134345 FZJZURWSIWMCTH-LBPRGKRZSA-N 447.373 4.262 5 20 IIBD O=C(c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2)N1CC[C@@H](CO)C1 438582602 LBGBTNNGEFMQFU-GXYBQNOFSA-N 443.503 4.474 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N(CC(F)F)c2cccc(Cl)c2)cc1OC 440669070 HHZHNYCRXBLEGC-UHFFFAOYSA-N 444.818 4.194 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 442933769 GCZBUQKUOTUJIQ-WOJBJXKFSA-N 446.525 4.268 5 20 IIBD COc1cc([C@@H](C)NC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)ccc1OCC(C)C 444982817 XAVPVCYVLGLXRI-CQSZACIVSA-N 441.488 4.075 5 20 IIBD CC(C)c1nc(-c2nc(-c3c([N+](=O)[O-])ncn3C)no2)nn1-c1c(Cl)cccc1Cl 445574276 YWRPURAOQWGBCI-UHFFFAOYSA-N 449.258 4.056 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N3CCc4ncsc4C3)c([N+](=O)[O-])c2)c(C)c1 445663908 ISJYSLDLPXCLHY-UHFFFAOYSA-N 444.538 4.032 5 20 IIBD Cc1cc(Br)c(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 445967560 DGOWDGCJTRKGCF-UHFFFAOYSA-N 440.681 4.078 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1 446105612 SRLOJUIONMFMGR-UHFFFAOYSA-N 435.458 4.157 5 20 IIBD CCc1nc2c(s1)[C@@H](N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)CCC2 447014721 VEBGVEIVVSFCMG-ZDUSSCGKSA-N 449.476 4.331 5 20 IIBD CC(C)Nc1cc(F)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1I 461461901 GMZVPYDWJHCBSJ-UHFFFAOYSA-N 443.216 4.411 5 20 IIBD CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 462483707 GGMRCTLDQKJJNU-MJGOQNOKSA-N 426.517 4.090 5 20 IIBD COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] 463691769 AAACDXQQULFHMZ-GOSISDBHSA-N 436.489 4.260 5 20 IIBD COCCn1c(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)nc2ccccc21 464340256 JTCRVEXMUCQBFR-UHFFFAOYSA-N 445.479 4.455 5 20 IIBD O=C(N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1(c2ccc(Br)cc2)CC1 464657705 COWDYBPSDZDABF-UHFFFAOYSA-N 445.313 4.459 5 20 IIBD Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 464703747 LAGZDDYYKUXHTI-AUSIDOKSSA-N 434.496 4.201 5 20 IIBD Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 468908385 JLUFLUAJTDFYRQ-UHFFFAOYSA-N 435.871 4.910 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H](C)c1sc(-c2ccccc2)nc1C 469670195 KYRSQPRKQUUABP-HNNXBMFYSA-N 438.509 4.493 5 20 IIBD COC(=O)[C@H]1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)[C@@H]1C 470052934 FSFYKWXWMNXFKQ-DOMZBBRYSA-N 448.859 4.073 5 20 IIBD CCc1ccc(C(=O)N2CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)cc1[N+](=O)[O-] 471817910 WZBYLOFRBYEZBA-UHFFFAOYSA-N 430.892 4.109 5 20 IIBD O=C(NCc1ccc(Oc2ccccc2F)c(F)c1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 472636629 JRGIILPCEJDZRI-UHFFFAOYSA-N 445.353 4.059 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(CC(=O)Nc1ccc(F)cc1)C(C)(C)C 475347069 JEEPOHCBLVBTEU-UHFFFAOYSA-N 430.480 4.110 5 20 IIBD COc1cc(CN2CCC(O)(Cc3cccc(C)c3)CC2)c([N+](=O)[O-])cc1OC(F)F 475500373 FIJBRFCHGOPYDC-UHFFFAOYSA-N 436.455 4.083 5 20 IIBD COc1cc(N[C@H]2CCCN(C(=O)c3cc(SC)ccc3[N+](=O)[O-])C2)cc(OC)c1 475736470 ZISHUFQSJBXBSR-AWEZNQCLSA-N 431.514 4.051 5 20 IIBD COc1cc(CCNC(=O)N[C@@H](C)c2c(F)cccc2Cl)c([N+](=O)[O-])cc1OC 477837065 HSNFHWAWOYVSRP-NSHDSACASA-N 425.844 4.007 5 20 IIBD Cc1cccc(COc2cccc(NC(=O)C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)c2)c1 478547356 HEFJSKZZAYHUAZ-KRWDZBQOSA-N 433.464 4.298 5 20 IIBD CN(CCCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)CC(F)(F)F 478904987 PAMWBSNATKAUCP-UHFFFAOYSA-N 427.448 4.360 5 20 IIBD CC(=O)Nc1sc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)nc1-c1ccccc1 479368150 YFOMXDJEWAAUAF-UHFFFAOYSA-N 448.464 4.115 5 20 IIBD COc1cc(C(=O)N[C@H](C)[C@@H](OC)c2ccccc2Cl)c([N+](=O)[O-])cc1OC(F)F 479697537 XOXQKANIDXLFJJ-BMLIUANNSA-N 444.818 4.364 5 20 IIBD Cc1ccc(-c2nc(CCNc3ccc(C(=O)c4nccn4C)cc3[N+](=O)[O-])co2)cc1 480460378 NFFFNSRWYBCNRU-UHFFFAOYSA-N 431.452 4.177 5 20 IIBD CCOc1cc(NC(=O)CCc2nnc(-c3ccsc3)o2)c([N+](=O)[O-])cc1OCC 483166201 KZPJGVFNCQUFIT-UHFFFAOYSA-N 432.458 4.075 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CN[C@@H](CO)c1ccc(Br)cc1C(F)(F)F 483255541 KPPNHYORDHLFFH-HNNXBMFYSA-N 449.223 4.208 5 20 IIBD CCN(CC)CCOc1ccccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 483503305 UJJBWTZTGLFQRW-UHFFFAOYSA-N 426.517 4.168 5 20 IIBD O=C(c1coc(-c2ccc(Br)cc2F)n1)N1CCc2ccc([N+](=O)[O-])cc2C1 487157369 OSGVEOPQEPJVQD-UHFFFAOYSA-N 446.232 4.350 5 20 IIBD COC1CCN(C2(CNC(=O)c3cc([N+](=O)[O-])ccc3SCC(C)C)CCCC2)CC1 487446833 NSGCQEPKJHCOKG-UHFFFAOYSA-N 449.617 4.496 5 20 IIBD O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCC(O[C@H]2CCOC2)CC1 488161019 KYZKHFJJPSJGJN-IBGZPJMESA-N 428.510 4.156 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)N1CCCC1 489870941 FRUOVNDKMWWOLM-LAUBAEHRSA-N 426.517 4.109 5 20 IIBD CCN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 490569590 UOCHZKPUTPAUCU-QGZVFWFLSA-N 435.480 4.042 5 20 IIBD Cc1cc(-c2nc(C3CC3)no2)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C 491846778 IOMCRNUACLNKJB-UHFFFAOYSA-N 428.470 4.248 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)CCN2C(=O)COC 494061390 WMUXHKGEMYKSLG-UHFFFAOYSA-N 443.525 4.275 5 20 IIBD Cc1ccc(C(=O)NC2CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC2)s1 497326031 MRIITDFIRMDYMZ-UHFFFAOYSA-N 429.542 4.297 5 20 IIBD COc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1Br 497759993 POLBWAMBKKYVFN-LLVKDONJSA-N 430.258 4.405 5 20 IIBD O=C(Nc1cccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1)c1ccccc1 500262504 PVBPRGRSNXGQCZ-UHFFFAOYSA-N 427.420 4.285 5 20 IIBD CCC(CC)[C@@H](NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)c1ccccc1 503368358 AIBIOCINBCQDOD-HXUWFJFHSA-N 444.557 4.301 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-n3cnc4ccccc43)cc2)c(Cl)c1 503431893 UVTWDRXRVFWPPZ-UHFFFAOYSA-N 428.857 4.388 5 20 IIBD CC1(C)CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@](C)(C(F)(F)F)O1 505717522 VRZPWMPUANKXDR-QGZVFWFLSA-N 429.420 4.290 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])Nc1cccc(NC(=O)CN2CCCCCC2)c1 505796071 NPHQBJSRQDUMKG-UHFFFAOYSA-N 442.541 4.140 5 20 IIBD CCOc1cc(NC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)c([N+](=O)[O-])cc1OCC 506306312 ARRCHPPGAYMQTG-FUHWJXTLSA-N 442.516 4.349 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@@H]3CCN([C@H](C)c4ccccc4)C3)cc2)c(C)c1[N+](=O)[O-] 507615197 GOALMCJOEGNEBT-WZONZLPQSA-N 447.539 4.022 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N(CC2CCCCC2)c2ccccn2)cc1OC 507948050 HNGIIRZWNKDXJV-UHFFFAOYSA-N 443.500 4.251 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)Nc1c(-c2ccc(Br)cc2)ncn1C 508397883 MACLLSIPYYZZRH-UHFFFAOYSA-N 431.246 4.019 5 20 IIBD Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)N(C)C 510509991 FWDGQDDWKCLJOI-OSPHWJPCSA-N 449.555 4.186 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 510928301 BNWHYMATWKPYOC-LJQANCHMSA-N 430.505 4.386 5 20 IIBD CC(C)(NC(=O)NCc1cc(F)c(F)cc1Br)c1ccc([N+](=O)[O-])cc1 511407647 VUVJJFMQVLOXIM-UHFFFAOYSA-N 428.233 4.370 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C 511802556 PXKGVVUJWFMWSF-DYESRHJHSA-N 427.570 4.492 5 20 IIBD CC(C)OCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2I)cc1 512131098 NJTBFYPVDWJLOT-UHFFFAOYSA-N 440.237 4.377 5 20 IIBD CCOC(=O)c1nc(CSc2nc3cc4ccccc4cc3c(=O)n2CC)cs1 514434584 WLIXVVSVQIXCPR-UHFFFAOYSA-N 425.535 4.495 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC[C@H](c4nc(C)no4)C3)cc2[N+](=O)[O-])n1 515582881 LAFSDIUVRXDBPW-AWEZNQCLSA-N 445.526 4.222 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)N(C)CC1CCCCC1 517076558 IACPZBXSVJIOIM-UHFFFAOYSA-N 445.541 4.356 5 20 IIBD C[C@@H](c1cccc(O)c1)N(C)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 518813363 NSGKFWVPTIFVQW-LBPRGKRZSA-N 426.395 4.134 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 519671454 VSZJQVBUPHUSNT-KRWDZBQOSA-N 441.362 4.107 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3C)cc2)cc1 520768463 GJZIXRKJCZNARZ-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD CN(Cc1ccco1)Cc1ccccc1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 525096759 HPAIDPGKZXEPNK-UHFFFAOYSA-N 432.480 4.091 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)CC1(c2ccc(Br)cc2)CC1 525459404 DOKXNLBOLXEQIO-UHFFFAOYSA-N 439.331 4.018 5 20 IIBD COc1cccc(C[C@@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 533006716 FRBPCJFGUOWPCY-AWEZNQCLSA-N 444.431 4.018 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2ccc(OC)cc2s1 534214115 DQHWTYGLVIWIAI-UHFFFAOYSA-N 447.494 4.121 5 20 IIBD O=C(CNc1ccccc1[N+](=O)[O-])Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 535802584 CHQZFQMSPONYED-UHFFFAOYSA-N 429.305 4.176 5 20 IIBD Cc1nc(CN2CCN(Cc3ccc(Oc4ccccc4Cl)c([N+](=O)[O-])c3)CC2)no1 536675618 BFJUFBNXYFIHMQ-UHFFFAOYSA-N 443.891 4.050 5 20 IIBD CCC[C@@H](NC1CCN(C(=O)c2ccc(OC)cc2OC)CC1)c1cccc([N+](=O)[O-])c1 536805433 HDKYWAHLVRBPBE-JOCHJYFZSA-N 441.528 4.348 5 20 IIBD O=C1[C@@H](NC/C=C/c2ccccc2[N+](=O)[O-])CCCN1Cc1cccc(C(F)(F)F)c1 538569825 GUMMFBUDEDUXMM-AMGQUURNSA-N 433.430 4.408 5 20 IIBD Cn1cc(CNc2ccc(CCC(=O)N3CCCC3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 538833413 BBUNMBSULIYUMD-UHFFFAOYSA-N 433.512 4.162 5 20 IIBD O=C1[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCN1Cc1ccccc1 540595413 ISLAZCZNYKTZLV-FQEVSTJZSA-N 425.872 4.399 5 20 IIBD CCc1nc([C@H](C)N[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cs1 544468613 FYYQIAYTGJJDFZ-NWDGAFQWSA-N 431.543 4.415 5 20 IIBD C[C@H](C(=O)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1)c1cc2ccccc2o1 544685482 ACWQESAEBYJTAX-HNNXBMFYSA-N 433.468 4.060 5 20 IIBD O=C([C@@H]1CC[C@H]2CCCC[C@@H]2C1)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 544685501 CMZWXUZXNOZVDH-KZNAEPCWSA-N 425.533 4.116 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(CCCc4nc(-c5cccs5)no4)n3)c2c1 545075082 BLIQDMCLPVDDPD-UHFFFAOYSA-N 436.453 4.337 5 20 IIBD CC(=O)N1CCc2c(NC(=O)c3ccc(N[C@H](C)c4ccccn4)c([N+](=O)[O-])c3)cccc21 546012655 NCTKNXGSEWIPIF-OAHLLOKOSA-N 445.479 4.324 5 20 IIBD NC(=O)c1ccc(OCc2nc(-c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3)no2)cc1 547200194 KKOAETURJAFPBF-UHFFFAOYSA-N 432.392 4.115 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](CO)c1ccc(C(F)(F)F)cc1 550699031 GBQCCOCBGAGWFU-OAHLLOKOSA-N 447.207 4.148 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)C(F)(F)F)cc1[N+](=O)[O-] 551476398 UTWIRDLYAVBCTL-INIZCTEOSA-N 437.418 4.293 5 20 IIBD COc1cccc(Oc2ncccc2CN[C@@H](c2ccc([N+](=O)[O-])cc2)c2nccn2C)c1 552247727 YIDYSWYLPHLZRR-QFIPXVFZSA-N 445.479 4.403 5 20 IIBD COc1ccc(CC(=O)N2CCc3cc(Cl)cc(Br)c32)cc1[N+](=O)[O-] 554946683 WMJJREVXTNHQDX-UHFFFAOYSA-N 425.666 4.151 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(Sc3ccc(OC)cc3)ns2)c1 558770840 UTSVSVWVZXWCHC-UHFFFAOYSA-N 432.483 4.257 5 20 IIBD Cc1ccc(Cc2ccccn2)cc1NC(=O)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 559017714 STWCBWNOBDGZHC-KRWDZBQOSA-N 432.480 4.013 5 20 IIBD O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 563758741 BYIOZICITHHWCO-WOJBJXKFSA-N 428.876 4.101 5 20 IIBD CC[C@@H](c1cccc(OC)c1)N(C)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 570603462 IKUXWBYSDTYDDI-KRWDZBQOSA-N 441.513 4.106 5 20 IIBD CCCOC1(c2noc(CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)n2)CCCCC1 570971032 OAIIBKLYCWDEAV-UHFFFAOYSA-N 430.461 4.105 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 571334313 ABOCRUMSYIAMEW-HDJSIYSDSA-N 436.295 4.465 5 20 IIBD C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)cc1F 574434076 GCASSIMSLHWANW-SECBINFHSA-N 430.661 4.439 5 20 IIBD COc1ccc(CSCC(=O)N2CCCc3c(OC(F)F)cccc32)cc1[N+](=O)[O-] 574667697 OJJMNESFJITXDV-UHFFFAOYSA-N 438.452 4.417 5 20 IIBD Cn1ccnc1[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 579647338 KUVDACHCWIGUBP-ZDUSSCGKSA-N 431.290 4.340 5 20 IIBD COc1cc([C@@H](NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C(F)(F)F)cc(OC)c1OC 581585258 UOLYPNQAQAVPHV-ADLMAVQZSA-N 442.390 4.144 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(CCC(=O)OC(C)(C)C)c1 589421604 FHAXBVBCFOINOQ-UHFFFAOYSA-N 441.484 4.009 5 20 IIBD CCOc1cc(NC(=O)C(=O)N[C@@H](CC)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OCC 603710835 NQHMSRLRMWBVDY-HNNXBMFYSA-N 449.891 4.252 5 20 IIBD O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 603780129 ZGJQHEODDZCPSZ-UHFFFAOYSA-N 430.282 4.139 5 20 IIBD C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)Nc2ccccc2)cc1 604033558 QXKQWMGKRDVIBE-OAHLLOKOSA-N 440.481 4.278 5 20 IIBD COc1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c(Br)c1 608900702 PQAKMXATHBAMPZ-UHFFFAOYSA-N 434.290 4.221 5 20 IIBD O=C(NCc1cccc(COCc2ccccc2)c1)c1cc([N+](=O)[O-])cc2c1OCCO2 608937842 NCXXUEMGFDCIDG-UHFFFAOYSA-N 434.448 4.013 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCC[C@@H](CNC(=O)C(C)C)C3)c([N+](=O)[O-])c2)cc1 608973539 KMVYBGLNRGHULY-SFHVURJKSA-N 438.528 4.144 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2CCc3ccccc3CC2)c([N+](=O)[O-])c1 609704472 SUGWOILIVPLCQQ-UHFFFAOYSA-N 430.460 4.218 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCS[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 609823087 BWCBDFZWOFFGQS-CVEARBPZSA-N 435.571 4.140 5 20 IIBD CN1CCN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)Cc2ccccc21 609876036 NOUXHXQOTOUPNB-UHFFFAOYSA-N 446.294 4.180 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCC1CCN(Cc2cccs2)CC1 610101134 WIQOOLMEHXOQPG-UHFFFAOYSA-N 430.574 4.190 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1C[C@@H]1c1cccc(F)c1F 610196195 MSTXVALSCBQPPE-OLZOCXBDSA-N 429.345 4.224 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1cnn(CC2CC2)c1 610313044 LRIVLFIAUCZGKT-UHFFFAOYSA-N 442.479 4.235 5 20 IIBD CCn1c(SCC(=O)NCc2cccc(COC)c2)nc2cc3ccccc3cc2c1=O 613972934 LTDDEVMDERLWDG-UHFFFAOYSA-N 447.560 4.125 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(Br)cc2F)cc1SC 732029000 DXLPTKLEBZKNKF-UHFFFAOYSA-N 429.267 4.157 5 20 IIBD CCCCc1nc(COC(=O)c2ccc([N+](=O)[O-])cc2I)cs1 733477561 LWRANYHYXCAHIV-UHFFFAOYSA-N 446.266 4.356 5 20 IIBD CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)c1 736015314 IACKPBJHNOMADF-UHFFFAOYSA-N 449.504 4.010 5 20 IIBD CC1(C)[C@@H](OC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@H]2CCO[C@H]21 739369331 YPPZBEQJXMMLJF-ZTCOLXNVSA-N 447.491 4.347 5 20 IIBD CC1CCN(c2ccc(C(=O)NC[C@H](O)c3c(F)cccc3Cl)cc2[N+](=O)[O-])CC1 741291304 NEKCLWOYFLDARQ-IBGZPJMESA-N 435.883 4.087 5 20 IIBD C[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ncc(-c2ccccc2)o1 741322753 DIOSFZPPQOISQZ-UKRRQHHQSA-N 439.399 4.046 5 20 IIBD CNc1ccc(C(=O)OCc2ncc(-c3ccccc3Br)o2)cc1[N+](=O)[O-] 741828018 NFNLZAUQTLSLHF-UHFFFAOYSA-N 432.230 4.411 5 20 IIBD COc1ccccc1-n1c(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)nc2ccccc21 741987474 GDIOQEFHUFDTLB-UHFFFAOYSA-N 447.407 4.411 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(OS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 742314650 LLKLQDVPRMAWGM-UHFFFAOYSA-N 428.850 4.363 5 20 IIBD O=C(Nc1ccc(OC2CCCC2)c(F)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 743214203 BRVGWCLGBRKQPA-UHFFFAOYSA-N 428.464 4.409 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)c1ccc(NS(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 743266901 GWVBGHCJCLOICH-LBPRGKRZSA-N 439.465 4.120 5 20 IIBD O=C(OCCn1cccn1)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 744486479 FPFPDXAIHZEIDF-UHFFFAOYSA-N 426.479 4.409 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NOCc1ccc(C(F)(F)F)cc1 746938052 HJGIHSVATWGXKR-UHFFFAOYSA-N 433.180 4.167 5 20 IIBD CO[C@H](C)c1nc(CN2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cs1 747530342 YPMIQKCCALUFLK-GFCCVEGCSA-N 430.452 4.100 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)OCc2ccc3c[nH]nc3c2)cc1[N+](=O)[O-] 747758320 NZCUYYDPUGZJLI-UHFFFAOYSA-N 444.447 4.125 5 20 IIBD CC[C@@H](Oc1ccccc1Cl)C(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 749031722 PYBXCPZRDDSFBR-GOSISDBHSA-N 433.892 4.260 5 20 IIBD COc1c([N+](=O)[O-])cc(NCc2ccc(-n3cccn3)cc2)c([N+](=O)[O-])c1Br 749268596 IUWNFKICOGIMNT-UHFFFAOYSA-N 448.233 4.072 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(CCC(F)(F)F)cc2)c([N+](=O)[O-])c1 751889053 HSOZNUSYWKASOE-GFCCVEGCSA-N 440.374 4.282 5 20 IIBD C[C@H](OC(=O)c1c(F)ccc([N+](=O)[O-])c1F)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 752563938 VVBJJHXNSQDPBZ-NSHDSACASA-N 434.395 4.286 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] 753038138 NPOVJTDSMVGDKU-IRXDYDNUSA-N 434.537 4.253 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2ccc(N3CCOC[C@H]3C)cc2)cc1[N+](=O)[O-] 753164748 YFFJBGFEEUJMLD-GFCCVEGCSA-N 434.290 4.143 5 20 IIBD CCc1ccc([C@H](Nc2ccc(OC)c(-n3nnnc3C)c2)c2ccc([N+](=O)[O-])cc2)o1 753727591 RUJHODASOYBHCZ-JOCHJYFZSA-N 434.456 4.244 5 20 IIBD Cc1cc(Br)cc([N+](=O)[O-])c1OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 753832375 AQPVMQQWMQVSEK-UHFFFAOYSA-N 435.190 4.203 5 20 IIBD CC1(C)C[C@@H](NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 754229276 ORGLXHIWFHFJAI-ZDUSSCGKSA-N 431.876 4.188 5 20 IIBD O=C(C[C@@H]1CCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1ccccc1 755021502 KZIBNPPKUSMYAD-AWEZNQCLSA-N 435.249 4.374 5 20 IIBD COC(=O)CCCc1csc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)n1 755652244 WTZGNZHFIFVFSG-UHFFFAOYSA-N 446.529 4.036 5 20 IIBD COc1cc(N2CCC(OC(=O)CCc3cn(C)c4ccccc34)CC2)ccc1[N+](=O)[O-] 756291715 QMQBWDJPZJXIIS-UHFFFAOYSA-N 437.496 4.240 5 20 IIBD CCOc1c(Cl)cc(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc1OC 756923463 FDDKYPMLBQJTOB-UHFFFAOYSA-N 428.272 4.308 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCC(=Cc2ccccc2F)CC1 756972125 DGVZJNOVSIMJDW-UHFFFAOYSA-N 426.416 4.414 5 20 IIBD O=[N+]([O-])c1ccc2cnn(Cc3nc(-c4ccnc(OCc5ccccc5)c4)no3)c2c1 761688607 VBFMFWKNROCCHW-UHFFFAOYSA-N 428.408 4.017 5 20 IIBD COc1ccc(CNc2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])c(C)c1 765548608 LYZAHBHJNSBBEP-UHFFFAOYSA-N 426.223 4.203 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@H](c1cccc(F)c1)c1ccccn1 765645855 YTEOFYZTKDEMPM-GOSISDBHSA-N 426.360 4.025 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3CCN(c4ccccc4OC(F)F)C3)CC2)cc1 766058645 KMOQSLKUDSJSJS-QGZVFWFLSA-N 432.471 4.034 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)cc1[N+](=O)[O-] 767226833 HJCSNDWOCAWNAG-UHFFFAOYSA-N 439.255 4.081 5 20 IIBD CC(C)[C@@H](OC(=O)c1sc(Br)cc1[N+](=O)[O-])C(=O)NC1CCCCC1 773606983 ZLFHTOCBPJCOTP-CYBMUJFWSA-N 433.324 4.049 5 20 IIBD C[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1CNC(=O)OC(C)(C)C 774695231 OAABLFYBNHHPNG-MLGOLLRUSA-N 426.901 4.405 5 20 IIBD CCCNC(=O)Nc1ccc(CC(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])cc1 776140045 YUYUZXVUVGYOHI-QHCPKHFHSA-N 448.479 4.397 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cc([N+](=O)[O-])ccc1OC(F)F 778887636 MHKYNCZBRXGCJM-UHFFFAOYSA-N 435.295 4.116 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1CCC[C@]12CCOC2=O 779254096 LQNLRWAAKZWPTG-HXUWFJFHSA-N 432.885 4.321 5 20 IIBD COc1cc(COC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])cc1OCC(F)F 780060445 KQJIANSOPFXPOT-LSDHHAIUSA-N 425.359 4.233 5 20 IIBD CCCn1cc(C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cn1 781707385 VFEPRRSPFHAWBB-LJQANCHMSA-N 442.859 4.392 5 20 IIBD O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])n1ccc(=NCC(F)(F)F)cc1 784337522 WYWDYNUDQLVUDS-UHFFFAOYSA-N 431.370 4.127 5 20 IIBD O=C(Cc1csc(-c2ccoc2)n1)O[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 787021318 DLHWTLBIYSZYGJ-MRXNPFEDSA-N 431.445 4.205 5 20 IIBD CC(=O)N(c1nnc(SCc2ccc(Br)c([N+](=O)[O-])c2)s1)C1CC1 788099911 RMPQDQVROSFIMI-UHFFFAOYSA-N 429.321 4.016 5 20 IIBD Cc1cc(C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)ccn1 789028658 UIVLLCGXPOAWIJ-LJQANCHMSA-N 425.828 4.488 5 20 IIBD O=C(CCN(c1cccc(CO)c1)C1Cc2ccccc2C1)Nc1cc([N+](=O)[O-])ccc1F 791545318 YOERJFDFCKZKPM-UHFFFAOYSA-N 449.482 4.229 5 20 IIBD Cc1ccc(-c2nc(N)sc2CC(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1C 791551849 FDGAKNNOINPYHM-UHFFFAOYSA-N 442.453 4.111 5 20 IIBD O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)Nc2c(F)cccc2Br)c1 795329968 IEJJUCANFVZSMF-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD CC(=O)N(c1ccccc1)c1nc(COC(=O)COc2ccc([N+](=O)[O-])c(C)c2)cs1 797495857 SLIZNJWFZSORNL-UHFFFAOYSA-N 441.465 4.167 5 20 IIBD CCN(Cc1cccc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)c1)C(=O)OC(C)(C)C 801816500 PNHYHRYAWXOKTJ-UHFFFAOYSA-N 432.452 4.325 5 20 IIBD C[C@H](C(=O)OCc1ccc(Br)cc1N1CCOCC1)c1cccc([N+](=O)[O-])c1 802802130 TWVVDOIPPRPRFR-AWEZNQCLSA-N 449.301 4.041 5 20 IIBD O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)OCc1c(F)cc([N+](=O)[O-])cc1F 803269252 MJTMUEPMNMOMFR-OAHLLOKOSA-N 428.800 4.073 5 20 IIBD CCCCNC(=O)OC[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 808846635 IYORGMMZUGJMTB-CQSZACIVSA-N 431.411 4.135 5 20 IIBD O=C(c1cccc(NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1)N1CCC(CO)CC1 811469083 CKMPFFHWSLDFOQ-UHFFFAOYSA-N 438.311 4.358 5 20 IIBD COc1ccc(CCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1OC(F)F 812960572 QHQRFWZUGCFHAT-UHFFFAOYSA-N 435.210 4.484 5 20 IIBD CC(C)[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1nc(-c2cccnc2)no1 812962567 VCFQHVDAQQEXNR-CQSZACIVSA-N 436.255 4.474 5 20 IIBD Cn1cc(-c2nc3ccccn3c2NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cn1 813049169 AOZHOTCLJARBJT-UHFFFAOYSA-N 431.239 4.202 5 20 IIBD CN(CC(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OCc1ccccc1 813304621 FKBKWQHOPZABJS-UHFFFAOYSA-N 441.465 4.030 5 20 IIBD CCc1nc2c(s1)[C@H](N(C)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])CCC2 815024365 AAIFOQGFORYJIU-GFCCVEGCSA-N 433.914 4.104 5 20 IIBD COC[C@H](C)n1c(C)cc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c1C 815511925 AVCOLHWOXCOCRD-LBPRGKRZSA-N 442.390 4.279 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C2)C1 817649416 BCXLXGBYJFKTBS-RTBURBONSA-N 431.533 4.023 5 20 IIBD COc1cccc(COC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1OC 928996725 VSBQRLAKCWSKSF-UHFFFAOYSA-N 431.388 4.466 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(C(=O)c2ccccc2)C1 1116511756 BGCGIYPTLRRADG-KRWDZBQOSA-N 427.526 4.132 5 20 IIBD CCc1ccc(-n2nc(-c3nnc(COc4ccccc4[N+](=O)[O-])o3)c3c2CCC3)cc1 1117191660 MTRLRZFKYXUYCO-UHFFFAOYSA-N 431.452 4.461 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN3CCN(Cc4ccc(Cl)cc4)CC3)o2)cc1Cl 1348907804 CVMPUADJTQRYLB-UHFFFAOYSA-N 448.310 4.269 5 20 IIBD COc1ccc(NC(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c([N+](=O)[O-])c1 1517258892 HKUNASLAKYAISG-AWEZNQCLSA-N 441.419 4.204 5 20 IIBD Cc1c[nH]cc1C(=O)NC1(c2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)cc2)CCC1 1785792106 RXLGSGYQMNCLLQ-UHFFFAOYSA-N 432.480 4.222 5 20 IIBD Cc1cc(CCCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C2CC(C)(C)C2)c([N+](=O)[O-])cc1F 1847714690 NTCNWXRDIYXCHG-PMACEKPBSA-N 445.535 4.003 5 20 IIBD O=C(COc1ccc(Oc2ccccc2)cc1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 12843945 PPBLKVXVPNIEKG-UHFFFAOYSA-N 437.404 4.376 5 20 IIBD CCn1c(S[C@H](C)C(=O)NCc2ccccc2OC)nc2cc3ccccc3cc2c1=O 18467529 NJAAFODGTYEANG-MRXNPFEDSA-N 447.560 4.375 5 20 IIBD Cc1ccc(-n2c(Sc3ccc([N+](=O)[O-])cc3Cl)nnc2N2CCOCC2)cc1 19309445 OJKFJRHZWLWURJ-UHFFFAOYSA-N 431.905 4.125 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(Nc2cc(Cl)c(N)c(Cl)c2)c([N+](=O)[O-])c1 20666767 BJCGMAIZSXJHNH-UHFFFAOYSA-N 433.317 4.258 5 20 IIBD COC(=O)c1ccc(OCC(=O)N[C@@H](c2ccc(C)cc2)c2cccs2)c([N+](=O)[O-])c1 26667003 MGSQRMBVRLUUGP-NRFANRHFSA-N 440.477 4.036 5 20 IIBD CCOc1cc(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)c([N+](=O)[O-])cc1OC 27574200 VBBZEGZCPVDLOL-SFHVURJKSA-N 447.557 4.267 5 20 IIBD Cc1ccc2nc(COc3cccc(C(=O)N4CCc5ccc([N+](=O)[O-])cc54)c3)cn2c1 29251917 TUNVMDVMBWQUSF-UHFFFAOYSA-N 428.448 4.333 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 45824106 PYFXAUWXSXMNRN-KSSFIOAISA-N 444.513 4.015 5 20 IIBD COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)Cc1ccccc1[N+](=O)[O-])CC2 69063963 WJHKQPZVRMAPAW-VWLOTQADSA-N 432.476 4.329 5 20 IIBD CNC(=O)c1cc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1Cl 108114393 ORJHDGITQCEBRW-UHFFFAOYSA-N 447.822 4.357 5 20 IIBD Cc1cccc(NC(=O)Nc2cccc(CNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)c1 108583798 OUENGJIODLAWLP-UHFFFAOYSA-N 449.423 4.385 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1[nH]c2ccc(Br)cc2c1Cl 117282972 XAIPTFWBVCZBJJ-UHFFFAOYSA-N 437.681 4.334 5 20 IIBD O=[N+]([O-])c1cc2c(O)ncnc2cc1NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 301071980 FUILFUGGCNVVLZ-UHFFFAOYSA-N 448.401 4.423 5 20 IIBD CC(C)NC(=O)c1ccc(N2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)c([N+](=O)[O-])c1 301711269 KMOZUPZULNVHSZ-FGZHOGPDSA-N 436.556 4.224 5 20 IIBD CCn1c(SC[C@H](O)COc2cccc([N+](=O)[O-])c2)nnc1-c1cccc(Cl)c1 302747605 RWTMTOQZPGYMQE-MRXNPFEDSA-N 434.905 4.059 5 20 IIBD O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 302792787 MLHDTSVJNMHGGK-UHFFFAOYSA-N 428.920 4.217 5 20 IIBD O=C(CCn1cc([N+](=O)[O-])cn1)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 302987574 FHYWXPQWLIFEQZ-UHFFFAOYSA-N 434.283 4.112 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(NCc2ccccc2OCC2CC2)c([N+](=O)[O-])c1 303829982 OLDCYYMKHDYNCH-UHFFFAOYSA-N 433.530 4.026 5 20 IIBD C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 409756693 XPMNEHYVKJCWOL-AWEZNQCLSA-N 449.301 4.195 5 20 IIBD COc1ccc(CNC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)cc1[N+](=O)[O-] 409837391 FIQJABOIGMQYBD-UHFFFAOYSA-N 439.415 4.481 5 20 IIBD CCc1cnc(NC(=O)c2ccc(C(=O)Nc3ncc(CC)s3)c([N+](=O)[O-])c2)s1 426798396 IFPDZXOWDXRJMU-UHFFFAOYSA-N 431.499 4.137 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCOC[C@@H]3[C@H]3CCCC3=O)cc2[N+](=O)[O-])cc1 427893800 KKDYYTZVEQBXDQ-UYAOXDASSA-N 440.521 4.265 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)Nc2cnn(C3CCCC3)c2C)cc1[N+](=O)[O-] 435715068 OEELSWLVQNEZNA-UHFFFAOYSA-N 443.323 4.087 5 20 IIBD O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1ccc2[nH]c3ccccc3c(=O)c2c1 436336092 CQZFBZWXGUEXPO-UHFFFAOYSA-N 429.457 4.315 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1ccc(CCC(F)(F)F)cc1 438660342 LBELDWHQFOFHLC-UHFFFAOYSA-N 437.418 4.465 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccc(-n2cccn2)c(F)c1 438787978 DTAFSTUZCZTARK-UHFFFAOYSA-N 431.232 4.027 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1ccc(Cl)cc1F 439182877 WJQDDVZQZBBLLZ-UHFFFAOYSA-N 426.853 4.319 5 20 IIBD COCCc1noc(-c2cc(Cl)ccc2NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)n1 440279614 HAWFWLSBTYXZDQ-GFCCVEGCSA-N 445.863 4.370 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(COc2ccccc2)c1C 441855283 OHKLURWCKQJHNV-UHFFFAOYSA-N 435.436 4.068 5 20 IIBD Cc1nc2cc(O)nn2c(C)c1CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] 442712895 HNZDXTBOCLYRQG-UHFFFAOYSA-N 449.492 4.041 5 20 IIBD O=C(NCc1nccn1CCCc1ccccc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 444232586 REZWJGOPPOMPQH-UHFFFAOYSA-N 436.515 4.441 5 20 IIBD Cn1cc(-c2ccccc2CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cn1 444262563 VLTCCHYRPIJQCV-UHFFFAOYSA-N 426.451 4.151 5 20 IIBD O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444285272 GTPXCGDWDMSBEC-UHFFFAOYSA-N 445.765 4.479 5 20 IIBD Cc1ccc(C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1NC(=O)c1ccccc1F 444642845 XVOZTRKCMCQEGS-UHFFFAOYSA-N 447.426 4.101 5 20 IIBD Cc1nn(-c2ccc(Cl)cc2)c2sc(-c3nc(-c4c([N+](=O)[O-])ncn4C)no3)cc12 445573829 XVGBFVSSIZNHRG-UHFFFAOYSA-N 441.860 4.408 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H](c1ccc(F)cc1)C(F)(F)F 446186794 BAESGZYQOYZCIS-HNNXBMFYSA-N 435.171 4.459 5 20 IIBD Cc1c(C(=O)Nc2ccccc2CN(C)c2ccccc2)nnn1-c1cccc([N+](=O)[O-])c1 447704697 SESKHADTJFORKV-UHFFFAOYSA-N 442.479 4.373 5 20 IIBD COc1cc(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])cc1OCc1cscn1 447769970 XXFPLVPWUNLBMJ-DOTOQJQBSA-N 443.456 4.064 5 20 IIBD CCc1[nH]nc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c1Br 448315499 DFJPZLDHXCBMDW-UHFFFAOYSA-N 431.246 4.687 5 20 IIBD O=C(NCCCc1nc(-c2ccncc2)cs1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 463554754 ZNGDVCSJGXFJGS-UHFFFAOYSA-N 436.415 4.495 5 20 IIBD CCO[C@@H](C)c1ncc(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 463654433 WIOKFFBBZNIIPZ-JTQLQIEISA-N 432.424 4.010 5 20 IIBD CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 464189030 WMXIKANCDOJNHP-HRAATJIYSA-N 445.541 4.436 5 20 IIBD COc1c(C(=O)Nc2ncc(Cl)cc2C(=O)Cc2cccc(F)c2)cccc1[N+](=O)[O-] 464719285 PEQDZISMCUVUCH-UHFFFAOYSA-N 443.818 4.469 5 20 IIBD CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1CC 464722389 FIGGKHYALNXYII-AWEZNQCLSA-N 436.555 4.460 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1I 467977629 CRWWBGJZFHFTFJ-UHFFFAOYSA-N 445.644 4.217 5 20 IIBD CS(=O)(=O)c1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)s1 468842681 FGQRWGQTJUHMGN-UHFFFAOYSA-N 426.903 4.263 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1nc(/C=C/c2ccccc2)cs1 469535458 MJHLMALKABJILC-OFAQMXQXSA-N 426.502 4.093 5 20 IIBD COc1cc(C(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)cc([N+](=O)[O-])c1OC 470618385 KESNACBTOGJVOR-UHFFFAOYSA-N 438.824 4.175 5 20 IIBD CCc1ccc(C(=O)Nc2ccc(C(=O)NCc3ccccn3)c(Cl)c2)cc1[N+](=O)[O-] 471351227 VBAAICXKDMFTPH-UHFFFAOYSA-N 438.871 4.388 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 471504276 SFIFDOQAVGRQAD-DOTOQJQBSA-N 446.500 4.455 5 20 IIBD C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 473846156 ZQSIENWSYODFSD-ZDUSSCGKSA-N 435.402 4.096 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2cc(F)c(F)cc2Cl)c1 476395261 WSUWHXYBKACJAQ-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD CCOc1cc(Br)ccc1N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 477620756 WSJZZKCAROJMOI-LLVKDONJSA-N 438.278 4.204 5 20 IIBD CC[C@H]1NC(=O)N(c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)c2)C1=O 478152588 PTVOQFUSKSAZMH-QGZVFWFLSA-N 442.497 4.182 5 20 IIBD CCn1nc(C)c([N+](=O)[O-])c1NCCc1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 479378545 MPZVQAJFGTUJCN-UHFFFAOYSA-N 437.500 4.100 5 20 IIBD COc1ccc(CSCC(=O)N[C@H](C)[C@H](OC)c2ccccc2Cl)cc1[N+](=O)[O-] 479696582 UTCMOFOKIYAEDZ-XCLFUZPHSA-N 438.933 4.382 5 20 IIBD Cc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 481592315 BFKZTKOBXSFDKP-IYBDPMFKSA-N 438.528 4.340 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(NC(=O)c2ccccc2)CC1 481997239 IIXYFJJTIMJVOD-UHFFFAOYSA-N 441.553 4.378 5 20 IIBD O=C(Nc1cccc(CNc2ncc([N+](=O)[O-])cc2Br)c1)c1ccccn1 485193560 GVKWSUQTHZJDAH-UHFFFAOYSA-N 428.246 4.012 5 20 IIBD O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccc(C2CCC2)cc1 485615159 SQZDPEYNTCEAOG-UHFFFAOYSA-N 443.506 4.404 5 20 IIBD COC(=O)[C@@H]1CN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c2ccccc21 485711185 QVPXIVDYFWFSBM-HXUWFJFHSA-N 432.432 4.091 5 20 IIBD O=C(CSc1nnc(-c2cccc(Br)c2)o1)Nc1ccccc1[N+](=O)[O-] 486609875 ZHHMTOVQXWWLAP-UHFFFAOYSA-N 435.259 4.138 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 487360062 UQXZOFHUNUMGDN-NSHDSACASA-N 446.813 4.095 5 20 IIBD CC[C@@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])Oc1cccc(C)c1 488435173 KQSFRPOQKZDDBH-AWEZNQCLSA-N 426.391 4.432 5 20 IIBD CCOc1ccc(C(C)(C)C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)cc1OCC 489754453 IXTGXJCODPKYCE-UHFFFAOYSA-N 444.484 4.404 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC(c2nc3ccccc3s2)CC1 490164046 JEOZNLMSHNAQAX-UHFFFAOYSA-N 437.930 4.426 5 20 IIBD O=C(N[C@@H]1CCOC2(CCOCC2)C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 491008743 WRCFQAMKDBCCBS-QGZVFWFLSA-N 428.510 4.204 5 20 IIBD COc1cccc(Cc2nnc(NC(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)s2)c1 493105307 LQWBEYPHIAMTEF-CYBMUJFWSA-N 427.486 4.237 5 20 IIBD COc1ccc(C(=O)N[C@H](C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc2)cc1 500080761 GLDBBJZCPUHBQL-HXOBKFHXSA-N 447.491 4.260 5 20 IIBD CNC(=O)c1ccc(Cl)c(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c1 500309724 VHLLAPKIGWVOCP-UHFFFAOYSA-N 438.871 4.472 5 20 IIBD O=C(COc1ccccc1-c1nc(-c2ccc([N+](=O)[O-])cc2)no1)Nc1ccccc1F 504229614 HMAHDNCSFVRUGO-UHFFFAOYSA-N 434.383 4.468 5 20 IIBD CC(C)C[C@@H]1COCCN1C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 505119253 JKJFRFOYXWZEAP-QGZVFWFLSA-N 443.466 4.104 5 20 IIBD CC1(c2nc3ccccc3s2)CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 509163621 FEEYQAVMMVTHHX-UHFFFAOYSA-N 431.539 4.088 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)cc([N+](=O)[O-])c1 509761030 JJYANWJNHXTBCC-UHFFFAOYSA-N 448.357 4.228 5 20 IIBD C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 511561197 PEKIAUFPXSOTIY-ZDUSSCGKSA-N 438.297 4.312 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)CC1(C(=O)O)CCCC1 515417702 AKHLKACHJYSJIU-UHFFFAOYSA-N 446.481 4.474 5 20 IIBD Cc1ccc(-n2cnnc2SCC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1Cl 516523471 CJUFYNKFAGBRNN-CYBMUJFWSA-N 431.905 4.107 5 20 IIBD CN1C(=O)C[C@@H](c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)[C@@H]1c1ccc(Cl)c(Cl)c1 517055883 QIKUUKNSYBAUNF-DIFFPNOSSA-N 448.266 4.221 5 20 IIBD O=[N+]([O-])c1cc2c(O)ncnc2cc1NCCCCN1CCC(Cc2ccccc2)CC1 517602782 RVCFBHCLBDTHFM-UHFFFAOYSA-N 435.528 4.390 5 20 IIBD CCc1ccc(-c2cc(NC(=O)Cn3c([N+](=O)[O-])cnc3C)n(-c3ccccc3)n2)cc1 520941147 WYUSXFGGLCEUGZ-UHFFFAOYSA-N 430.468 4.154 5 20 IIBD O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N(Cc1ccncc1)C[C@@H]1CCCO1 521755329 ZCQRUAHOZQERRK-QFIPXVFZSA-N 446.507 4.423 5 20 IIBD CCN(Cc1cccc(Br)c1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 521772262 JCKFALBETBZNOD-UHFFFAOYSA-N 433.711 4.222 5 20 IIBD CC(C)N(Cc1cc(Br)ccc1F)S(=O)(=O)c1ccccc1[N+](=O)[O-] 521772781 UJGSUTWSPQMEQW-UHFFFAOYSA-N 431.283 4.096 5 20 IIBD CCc1cccc2c(C3CCN(S(=O)(=O)c4c(F)cccc4[N+](=O)[O-])CC3)c[nH]c12 521776753 WRKHKUQTFPYIAC-UHFFFAOYSA-N 431.489 4.346 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)N(Cc1cccc(Br)c1)C1CCOCC1 525970953 NZTFHNANSLFDLA-UHFFFAOYSA-N 448.317 4.248 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC(Oc2ccc(C)c(C)c2)CC1 533251014 QOGJXNDTWUQWKK-QGZVFWFLSA-N 427.501 4.091 5 20 IIBD CC(C)OCc1ccccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 533328775 DJIQIRWNQBOGMA-UHFFFAOYSA-N 432.420 4.017 5 20 IIBD COc1ccc(Oc2cc(CNC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)ccn2)cc1 534622944 PZZMSVIEEAYHOO-UHFFFAOYSA-N 432.436 4.131 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)c1ccc([S@](C)=O)cc1 535204201 BUNUMLFOKHYFDB-ZYSBOAIWSA-N 437.521 4.435 5 20 IIBD COc1cc(CNCCc2c[nH]c3ncccc23)ccc1OCc1ccc([N+](=O)[O-])cc1 538427404 RBPVKKOZNLEUIC-UHFFFAOYSA-N 432.480 4.391 5 20 IIBD C[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(OCc2cccnc2)cc1 539227052 XWUISVNUYZFSIC-INIZCTEOSA-N 431.452 4.470 5 20 IIBD Cc1ccc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)n2)c(C)c1 539551050 ORABDFUYISRPSB-UHFFFAOYSA-N 438.509 4.424 5 20 IIBD CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 539970192 JSIMRMAVIFVQOT-QVKFZJNVSA-N 431.464 4.063 5 20 IIBD C[C@H](C[S@](C)=O)NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 541502401 SIGGXFLGJKZBFQ-BFHBOCCVSA-N 446.472 4.262 5 20 IIBD CSc1nnc(CCCNc2ncc([N+](=O)[O-])c(C)c2Br)n1CC(C)C 542522070 QAQBDEBMQJSIMT-UHFFFAOYSA-N 443.371 4.075 5 20 IIBD C[C@H](C(=O)Nc1nc2ccccc2n1CCCn1ccnc1)c1ccc([N+](=O)[O-])cc1F 542551873 YNBLYRNESCMJOQ-HNNXBMFYSA-N 436.447 4.113 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 543128333 CDBIEVIKYUUJDG-LBPRGKRZSA-N 448.854 4.419 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCC[C@H](C)N2CCCCC2)cc1[N+](=O)[O-])c1ccccn1 543386396 SETCUHCOXAZCLO-ROUUACIJSA-N 425.533 4.157 5 20 IIBD CC1CCN(c2ccc(-c3nc(-c4cccc(-n5cncn5)c4)no3)cc2[N+](=O)[O-])CC1 544988898 MOUXDOWQVGSPMP-UHFFFAOYSA-N 431.456 4.129 5 20 IIBD CC(C)(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 551416393 MPPZWWFMSGSXIC-UHFFFAOYSA-N 448.317 4.371 5 20 IIBD Cc1ccc(CN2CC[C@@H](CN(C)C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)C2)s1 552134386 MGCJQCWZERJGHM-INIZCTEOSA-N 428.558 4.133 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@H](Sc2cccc(Cl)c2)C1 554259668 JYGGDTOCCCQCMS-KRWDZBQOSA-N 428.901 4.441 5 20 IIBD Cc1cccc(COc2ccc(CNS(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)c1 557881329 NOERRNJCVGDZRE-UHFFFAOYSA-N 426.494 4.102 5 20 IIBD O=C(CCCc1ccccc1Cl)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 558562275 CNEPEAMFSVTNMJ-UHFFFAOYSA-N 441.919 4.186 5 20 IIBD O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1CCOC[C@@H]1[C@@H]1CCCO1 561165283 KOMYSWUNUHCHKU-MSOLQXFVSA-N 448.928 4.419 5 20 IIBD O=[N+]([O-])c1cc(CN2CCOC[C@@H]2[C@H]2CCC[C@H]2O)ccc1Oc1ccccc1Cl 569044645 JSBOAEMDPBNNAC-NSISKUIASA-N 432.904 4.402 5 20 IIBD C[C@H](NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(-c2ccncc2)cc1 569207184 ADDRWWQXPXYLQA-KRWDZBQOSA-N 444.491 4.025 5 20 IIBD COc1ccc(Br)cc1CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 574923363 QXSSZUZXEYZRST-UHFFFAOYSA-N 433.180 4.315 5 20 IIBD Cc1cc(/C=C\c2nc(CC(=O)NCc3ccc([N+](=O)[O-])cc3)no2)ccc1OC(C)C 575785399 DHDIBGXBMCURRV-XFFZJAGNSA-N 436.468 4.103 5 20 IIBD CC(C)c1[nH]nc(-c2nc(Cc3c[nH]c4cccc(Br)c34)no2)c1[N+](=O)[O-] 578944548 IDRCQEWHZSYKNB-UHFFFAOYSA-N 431.250 4.326 5 20 IIBD COc1ccc(Sc2nsc(NC(=O)N(C)CCc3cccc([N+](=O)[O-])c3)n2)cc1 580603454 FJYGWCRFQUQQLM-UHFFFAOYSA-N 445.526 4.313 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(Cc1ccccc1F)c1ccccc1F 582411816 XYCUSFLXTLIODH-UHFFFAOYSA-N 434.420 4.277 5 20 IIBD CC[C@]1(c2ccc(NCc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)CCC(=O)NC1=O 600852348 LSLUYEZRNGHMDR-HXUWFJFHSA-N 435.402 4.310 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCc3sccc3C2)nc1 603459848 UPEVJMQNEGWHNW-UHFFFAOYSA-N 426.523 4.345 5 20 IIBD Cc1c(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)oc2ccc(Br)cc12 603693833 BZLAOCKCLCHILB-UHFFFAOYSA-N 444.285 4.374 5 20 IIBD O=C(Nc1cccnc1OCc1ccccc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 603817199 BKVCJSAXPVYJCP-UHFFFAOYSA-N 432.480 4.424 5 20 IIBD O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 603829714 ZPJNIHFIHBHMEE-ZDUSSCGKSA-N 434.399 4.079 5 20 IIBD O=C(CN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)Nc1ccccc1 604046893 CRUNQZPBNOXLGE-NRFANRHFSA-N 438.871 4.156 5 20 IIBD CCOc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)c2c[nH]c3ccccc23)cc1OC 604063346 MGVFDSGVZBMXGQ-QGZVFWFLSA-N 448.479 4.373 5 20 IIBD O=C(N=c1nc(-c2ccsc2)[nH]s1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 609445298 PFIPDUAMBAZKBJ-UHFFFAOYSA-N 437.506 4.461 5 20 IIBD CC(C)(C(=O)N1CCC(c2nc(-c3ccccc3)cs2)CC1)n1cc([N+](=O)[O-])cn1 609521838 QILMXKUXVWXSBP-UHFFFAOYSA-N 425.514 4.056 5 20 IIBD CNc1ccc(C(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)cc1[N+](=O)[O-] 609564008 XPPJMJOSFOJBDL-UHFFFAOYSA-N 431.514 4.136 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1cc(Cl)ccc1N1CCOCC1 609723358 JMQZSJQYGDIIBV-UHFFFAOYSA-N 440.283 4.146 5 20 IIBD COC(=O)c1cc(NC(=O)[C@@H](Oc2ccc(F)c(F)c2)c2ccccc2)cc([N+](=O)[O-])c1 609883320 ILZDUJXKKDABHI-FQEVSTJZSA-N 442.374 4.418 5 20 IIBD Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 609909123 XWKPPNDHHSTZEH-IBGZPJMESA-N 433.493 4.259 5 20 IIBD O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@H](C(=O)N2CCc3c2cccc3[N+](=O)[O-])C1 609974009 XRUCPPHEOHDMCT-AWEZNQCLSA-N 448.306 4.343 5 20 IIBD O=[N+]([O-])c1ccc2ncnc(Sc3nnc(-c4cccnc4)n3-c3ccccc3)c2c1 611704183 ZQFLHHPFWCICTC-UHFFFAOYSA-N 427.449 4.332 5 20 IIBD O=[N+]([O-])c1cccc(-n2ccc(-c3nc(CCc4ccc(OC(F)F)cc4)no3)n2)c1 612944381 FMGHHPRJJMJURF-UHFFFAOYSA-N 427.367 4.217 5 20 IIBD CCOc1ccc([C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)c2ccccc2)cc1 619476120 FYTSDEFOTVNLHH-NRFANRHFSA-N 442.493 4.070 5 20 IIBD Cc1nc([N+](=O)[O-])c(Br)n1Cc1nnc(-c2c(Cl)cccc2Cl)o1 726431236 UAXIGZSOHNVWJS-UHFFFAOYSA-N 433.049 4.267 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccccc3N3CCOC3=O)cc2[N+](=O)[O-])C1 726506399 AZGIKTHTDRUHRG-HZPDHXFCSA-N 438.484 4.286 5 20 IIBD COC(=O)Nc1cc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])ccc1F 727333860 JJRFNQYPPCGUCZ-UHFFFAOYSA-N 431.298 4.106 5 20 IIBD O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 727435904 VAKBVYIQJULTPT-LJQANCHMSA-N 436.295 4.372 5 20 IIBD O=C(/C=C/c1cccc(OC2CCCC2)c1)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 727884855 CUNFCUFAHJPIJG-DHZHZOJOSA-N 436.464 4.062 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)Nc1nc2ccsc2s1)c1ccccc1[N+](=O)[O-] 735577308 SGAAZPHNODVYDZ-CYBMUJFWSA-N 434.499 4.471 5 20 IIBD COC(=O)c1cc(Cl)cc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c1 736051015 NRBMCSVGBZWMGS-UHFFFAOYSA-N 442.859 4.149 5 20 IIBD O=C(c1ccc(C2SCCCS2)cc1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 736173086 CSHHDDOMVYKOCF-INIZCTEOSA-N 430.555 4.185 5 20 IIBD CC(C)(C)OC(=O)NC1CCC(Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 739897245 CYVTULBXRPUIOM-UHFFFAOYSA-N 432.521 4.079 5 20 IIBD CC(C)CC(=O)N[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 740579027 ALISEQYWRKPSJW-LJQANCHMSA-N 449.301 4.304 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)OCc1ccc([N+](=O)[O-])cc1Br 740582323 YJKCWIQCXTUAJG-UHFFFAOYSA-N 438.234 4.201 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)[C@H](C)N2CCCCCC2)c2ccccc2)c([N+](=O)[O-])c1 741028935 JQBVSUQXAVWBDT-PGRDOPGGSA-N 439.512 4.391 5 20 IIBD Cc1nc(C(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)c2ccccn12 741192601 PAHOMJZEOKWNCV-UHFFFAOYSA-N 428.408 4.249 5 20 IIBD Cc1ccc(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])cc1NC(=O)Nc1ccccc1 741352749 LQQGPKSPPGZTHY-UHFFFAOYSA-N 448.435 4.343 5 20 IIBD COC(=O)Cc1ccccc1OC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 741950023 PYWCUKAQGHZIQO-HNNXBMFYSA-N 435.436 4.098 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@@H](CN1CCCCC1)c1ccccc1 742411689 RGRCYSZSOOZSNG-SFHVURJKSA-N 439.484 4.230 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 742513234 OGKATJIVRGKPJY-KRWDZBQOSA-N 437.924 4.500 5 20 IIBD O=C(Nc1ccc(-c2ccccc2)cc1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 743985955 GFJZDRPWFROINQ-UHFFFAOYSA-N 445.475 4.270 5 20 IIBD C[C@H](OC(=O)C(C)(C)c1ccc(Br)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 744757084 ILFNDRJDTJYTEA-LBPRGKRZSA-N 435.274 4.205 5 20 IIBD CN(Cc1ccc(Cl)s1)C(=O)COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 745565944 XTJYDNQZTGZURY-UHFFFAOYSA-N 436.795 4.144 5 20 IIBD NC(=O)CCn1ccc(NC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)n1 746282545 PHXPFSMDOMWVJU-UHFFFAOYSA-N 438.487 4.258 5 20 IIBD CC(C)(C)c1ncsc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 747056854 OIRAKGLQVOPMPQ-UHFFFAOYSA-N 431.392 4.163 5 20 IIBD COC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)sc2c1CCCC2 748612059 IVTPKCLQMOLKCT-UHFFFAOYSA-N 433.442 4.099 5 20 IIBD CCN(CC)Cc1csc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)n1 754995177 XWDJVHKXNVINRX-UHFFFAOYSA-N 431.287 4.047 5 20 IIBD CC(C)COC[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1ccco1 754996424 NCSQKHYQEPMDPW-ZDUSSCGKSA-N 429.242 4.233 5 20 IIBD O=C(Nc1nc2ccccc2n1C1CC1)c1cc([N+](=O)[O-])ccc1I 755153481 YQNIFMYQKFXWSY-UHFFFAOYSA-N 448.220 4.136 5 20 IIBD C[C@H](OC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 755763102 PMWCXNZMIOTPQH-SCLBCKFNSA-N 447.285 4.153 5 20 IIBD COc1cc(NC2CCN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)CC2)cc(OC)c1 757262510 NNGDXBOIIOBXFB-UHFFFAOYSA-N 448.907 4.052 5 20 IIBD COc1ccc2c(c1)[C@H](C(=O)N(Cc1nnc(-c3cccc([N+](=O)[O-])c3)o1)C(C)C)CC2 762952294 NUHCGOSKTWSANP-LJQANCHMSA-N 436.468 4.120 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H](O)c2ccc(Cl)c(F)c2)CC1 763203659 DJDMQDZZDLXKRG-HXUWFJFHSA-N 435.883 4.087 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(N2CCC([C@@H]3CCCCCN3C(C)=O)CC2)cc1Cl 765499547 HIWKVUDTBKSSGU-SFHVURJKSA-N 437.924 4.042 5 20 IIBD C[C@@H](c1ccsc1)N1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 765843208 SDZGCIHCMMDEKO-NSHDSACASA-N 442.310 4.077 5 20 IIBD CC(=O)[C@@H](Cc1ccc(F)c(F)c1F)OC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 768643860 PJBBDAPQZLURPH-MGPLVRAMSA-N 445.777 4.176 5 20 IIBD C[C@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 768812437 KRDGQAWKIRFHNC-LBPRGKRZSA-N 449.485 4.087 5 20 IIBD O=C(Nc1cc(C(F)F)ccc1Cl)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 769750910 BZPVDVVNBFEQGW-UHFFFAOYSA-N 429.719 4.118 5 20 IIBD O=C(O[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1cc([N+](=O)[O-])ccc1Cl 770314862 ZRYHEULKIGGIMA-HNNXBMFYSA-N 428.750 4.229 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 773413802 IXHGYHDZLFMORX-UHFFFAOYSA-N 436.173 4.175 5 20 IIBD COc1ccc(Br)cc1CN(C)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 777889541 KOIOBIBTFPJZSE-UHFFFAOYSA-N 429.217 4.116 5 20 IIBD O=C(O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)c1csc(Cc2ccc(F)cc2)n1 778808981 GJVGKKMXYWIIPS-INIZCTEOSA-N 445.447 4.356 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c1 781610826 SWIGUBUOGOUPEB-GOSISDBHSA-N 444.419 4.213 5 20 IIBD Cc1cc(Cl)ccc1NC(=O)COC(=O)c1cccc([N+](=O)[O-])c1Br 781679173 XTADSQCCMVXLMF-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD CC(C)(CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)cc1Cl 783322238 ZBOHYPFPDAEZNT-UHFFFAOYSA-N 428.247 4.073 5 20 IIBD O=C(c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1C[C@H]2C[C@@]2(CO)C1 783792038 QNTVWAWCRCDQIU-YJYMSZOUSA-N 438.427 4.219 5 20 IIBD O=C(NC[C@H](O)c1cc(F)cc(Cl)c1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 787824691 OKIWCZFVIHAIFV-NRFANRHFSA-N 443.862 4.463 5 20 IIBD Cc1cc(C)c(N2CC[C@H](OC(=O)c3cccc([N+](=O)[O-])c3Br)C2=O)c(C)c1 789084203 UEHUHRDKOPLJAI-INIZCTEOSA-N 447.285 4.245 5 20 IIBD Cc1c(NC(=O)CCN2CCC(COc3ccc(Cl)nc3)CC2)cccc1[N+](=O)[O-] 789314978 HDMIRFFOCNIPIF-UHFFFAOYSA-N 432.908 4.071 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c1=S 789488899 UFIQXDXJRNYTAZ-WMLDXEAASA-N 442.372 4.482 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(NC(=O)CCN3CCCCC3)cc2)c1F 790414666 QAWCVZFUUAPWLF-UHFFFAOYSA-N 428.464 4.109 5 20 IIBD COc1ccccc1-c1csc(C2CCN(Cn3nc(C)c([N+](=O)[O-])c3C)CC2)n1 790488613 UAQDXOYBVDNXHL-UHFFFAOYSA-N 427.530 4.377 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 790629846 OFQMYOJBLOYIMG-KRWDZBQOSA-N 431.222 4.322 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)NCCc2nc3ccccc3s2)c(Cl)cc1Cl 791418137 ZDPDDIOFQIXCQU-UHFFFAOYSA-N 432.310 4.032 5 20 IIBD CCc1c(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cnn1-c1ccc(Cl)cc1 791579988 MUNPMTQUBLNSKO-FQEVSTJZSA-N 439.859 4.128 5 20 IIBD CCN(c1ccc2[nH]ccc2c1)S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] 795349418 AEXKWCVOHMQMFS-UHFFFAOYSA-N 442.266 4.193 5 20 IIBD CC(C)c1[nH]nc(C(=O)O[C@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)c1[N+](=O)[O-] 796258366 SMUYRHQMBHHRCB-INIZCTEOSA-N 442.394 4.280 5 20 IIBD COc1ccc(N(C)C(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2O)cc1Cl 798298474 PVZQJHHTIBQNCF-UHFFFAOYSA-N 437.239 4.078 5 20 IIBD CC(C)(C)OC(=O)NCc1ccc(OC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 802957079 XFEAJHHKKNIYBV-UHFFFAOYSA-N 425.441 4.249 5 20 IIBD Cc1c(C(=O)NCCc2c[nH]c3cccc(Br)c23)cc([N+](=O)[O-])cc1[N+](=O)[O-] 811604610 SRZWISHTFYURKB-UHFFFAOYSA-N 447.245 4.028 5 20 IIBD CCOc1ccc([C@@H](O)C2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)cc1 812866265 NBDIHXVJIXWNGG-XMMPIXPASA-N 441.528 4.076 5 20 IIBD O=C(OCc1c(Cl)ccc2cccnc12)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 915384787 ADDNFZZORXZFJP-ZDUSSCGKSA-N 443.818 4.032 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1OC(=O)CCSCc1nc(O)c2c3c(sc2n1)CCC3 917048862 ILNUSTZFTOAEMO-UHFFFAOYSA-N 445.522 4.331 5 20 IIBD C[C@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)Nc1ccc(N2CCCCC2)cc1 917328840 BOBUBWPAVIRGNT-HNNXBMFYSA-N 436.468 4.250 5 20 IIBD Cc1nc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)sc1Cc1ccc(F)cc1 917736192 ABHXYMIQVMXQDD-UHFFFAOYSA-N 425.445 4.078 5 20 IIBD CC(=O)N(c1ccc(Cl)cc1)c1nc(COC(=O)c2cc([N+](=O)[O-])cn2C)cs1 919026038 ADDOIXXDDSWYAK-UHFFFAOYSA-N 434.861 4.085 5 20 IIBD CC(C)N(Cc1cc(Br)ccc1F)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 921266626 BBOPVTBPYGNQOQ-UHFFFAOYSA-N 443.244 4.452 5 20 IIBD COc1cc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])cc1OCc1cscn1 1115892842 QQVCYDUSRZSDBA-LSDHHAIUSA-N 431.514 4.291 5 20 IIBD COc1ccccc1-c1nnc(COC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)o1 1116171574 WIYVAPXNYADPGP-UHFFFAOYSA-N 438.421 4.134 5 20 IIBD CN(C(=O)c1ccc(-c2cccs2)s1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1116543131 RTPGPEYPUAYANI-UHFFFAOYSA-N 442.927 4.499 5 20 IIBD CCN(CCOc1ccc(Br)cc1)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 1123268935 QGVUEBYTYMBQIA-UHFFFAOYSA-N 438.278 4.299 5 20 IIBD O=C(NC1CCN(c2cccc(F)c2)CC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 1252011782 XBWBJHQTDLAPOH-UHFFFAOYSA-N 441.381 4.074 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 1320542887 HZJJFPCYDCDDLZ-QGZVFWFLSA-N 444.919 4.193 5 20 IIBD CC1=C(C(=O)N(C)C)[C@@H](c2ccc([N+](=O)[O-])cc2Cl)NC(=S)N1c1ccccc1F 1325205911 LVEKZUDIBFJGJR-GOSISDBHSA-N 448.907 4.185 5 20 IIBD Cc1ncccc1C(=O)NC1(c2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc2)CCC1 1790754926 MLLWOKOPLOIIIK-UHFFFAOYSA-N 446.463 4.065 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@H]3CCCS3)cc2)CCC1)c1cc(F)cc([N+](=O)[O-])c1 1792014655 UMTGGDSFAKEPGW-LJQANCHMSA-N 443.500 4.377 5 20 IIBD COc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccn4C)CCC3)cc2)ccc1[N+](=O)[O-] 1792163793 MMBZMFQZVMOIPG-UHFFFAOYSA-N 448.479 4.003 5 20 IIBD C/C=C/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCc1cc(C)c(F)cc1[N+](=O)[O-] 1793405144 KQPFVYNZDLBGEH-YUMPDPNESA-N 443.519 4.136 5 20 IIBD COc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccccc2C2CC2)ccc1[N+](=O)[O-] 1803522670 JGAMXGIFVBDWGC-REPLKXPHSA-N 449.507 4.046 5 20 IIBD O=C(c1ccc(Cl)c(F)c1)N1CCC2(CCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)CC1 1804651074 HNDQHLWHSADGQB-UHFFFAOYSA-N 449.866 4.139 5 20 IIBD CC(C)(C)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1826338895 ZQAVBMJWMXQJMO-HXUWFJFHSA-N 433.524 4.403 5 20 IIBD O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(Br)c([N+](=O)[O-])c1 9848940 LCPZYTWNSQVUEO-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD COc1ccc(Nc2nnc(S[C@@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)s2)cc1 10786629 YGMCOXYRYBGCEY-JTQLQIEISA-N 449.489 4.457 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)COc1cc(Cl)c(Cl)cc1Cl 11423292 XZNBPDHHHRFHQT-UHFFFAOYSA-N 447.658 4.424 5 20 IIBD COCCN(C(=O)COc1ccc(C)cc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 14790490 BHEVQPOYEXSQHJ-UHFFFAOYSA-N 441.509 4.394 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)Cc1csc(COc2ccc(C)cc2)n1 25631687 OGEXLFPOVYYFSN-UHFFFAOYSA-N 428.466 4.233 5 20 IIBD CCOc1ccc(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)cc1[N+](=O)[O-] 26790929 RUNOJOGPZXIMSY-UHFFFAOYSA-N 445.273 4.253 5 20 IIBD O=C(COC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)Nc1c(F)cccc1F 28612753 ALMLAGHCXLKIBN-UHFFFAOYSA-N 441.390 4.281 5 20 IIBD CCn1c(SCc2ccc(C(=O)N3CCCC3)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 44854717 SUJQWIJZISVMBT-UHFFFAOYSA-N 437.525 4.402 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCC(c2cccc3ccccc23)CC1 58725443 VSQSRRPSKMIAOQ-UHFFFAOYSA-N 431.448 4.062 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N(C)CCOc2ccccc2F)cc1[N+](=O)[O-])c1ccccn1 64761026 VXRYQGMTGICHHN-MRXNPFEDSA-N 438.459 4.453 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)NCc2ccccc2F)cc1 65447621 HYPZLWLXEGSMSV-UHFFFAOYSA-N 436.443 4.028 5 20 IIBD O=[N+]([O-])c1ccccc1OCCSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 71959853 HCQGXHOGLOESLS-CQSZACIVSA-N 432.527 4.265 5 20 IIBD CCCN(C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)[C@H]1CCc2ccccc2C1 72024191 VYLJUARRGGYPLK-IBGZPJMESA-N 437.496 4.079 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@H](CO)c3ccccc3)c([N+](=O)[O-])c2)c(C)c1 78603927 JWQMUEXUVPQKFL-OAQYLSRUSA-N 441.509 4.158 5 20 IIBD O=C1c2ccccc2N[C@@H](/C=C\c2ccccc2[N+](=O)[O-])N1c1ccc2c(c1)OCCO2 96794998 RQOSEXMETNABED-UQBDUDKASA-N 429.432 4.478 5 20 IIBD C[C@@H](CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)CN1CCCC1 108298414 BSYLJWGISCCYGB-INIZCTEOSA-N 430.936 4.322 5 20 IIBD C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1 301922655 GPIOKKKFYBDMHU-INIZCTEOSA-N 430.468 4.076 5 20 IIBD COc1ccc([C@H](C)NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1Br 302756144 AGMYPEMOPQXFQG-ZDUSSCGKSA-N 436.306 4.435 5 20 IIBD O=C(Nc1ccc(COC2CCCC2)cc1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303851978 VBOGWMCOMACINU-SFHVURJKSA-N 443.525 4.359 5 20 IIBD COc1ccc(NC(=O)c2cc(Cl)ccc2I)c([N+](=O)[O-])c1 389760036 SODZXYYIQUNVHQ-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD O=C(NCc1nc(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)cs1)c1ccccc1 426882087 HSDVNVRYBHVRDO-UHFFFAOYSA-N 434.424 4.195 5 20 IIBD COc1ccc(Br)cc1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] 427571217 IRORDAOCJQKSQN-UHFFFAOYSA-N 444.079 4.058 5 20 IIBD O=C(NCc1ccc(CN2CCCCC2)cc1)c1ccc(Br)cc1[N+](=O)[O-] 431165738 GKZWUWBHYXULSK-UHFFFAOYSA-N 432.318 4.273 5 20 IIBD CS(=O)(=O)c1cc(CNc2ccnc3c([N+](=O)[O-])cccc23)cc(C(F)(F)F)c1 432177811 QKVGAJHTWQXMHD-UHFFFAOYSA-N 425.388 4.177 5 20 IIBD CC(C)[C@H](O)CNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 434380003 NYMAEGUDHPVDRI-JVCXIRSZSA-N 425.510 4.268 5 20 IIBD O=C(CN1CCC(F)(c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1Br 434496571 JKBHJGNNMPAEKM-UHFFFAOYSA-N 436.281 4.257 5 20 IIBD CCC[C@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)c1nnc2ccccn12 435330852 WUADZTNMODDSIG-ZDUSSCGKSA-N 447.293 4.371 5 20 IIBD CN(CCOc1ccccc1F)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 435935293 JICUANSUJJFSTR-UHFFFAOYSA-N 426.394 4.250 5 20 IIBD O=C(NCc1ccnc(OC2CCCC2)c1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 436100148 JBXKKDFUNCOXCM-UHFFFAOYSA-N 431.467 4.467 5 20 IIBD Cc1cc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c2cccnc2c1C 437309904 VJAJGSHDEKAASH-UHFFFAOYSA-N 436.287 4.323 5 20 IIBD O=[N+]([O-])c1ccc(CN(c2ccccc2)S(=O)(=O)c2cnn(-c3ccccc3)c2)cc1 439241095 WFBSCQVUCXAFFU-UHFFFAOYSA-N 434.477 4.176 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C 440064694 SRULZQFIQKCDCT-RNRVQEDPSA-N 431.876 4.099 5 20 IIBD COc1ccc([C@@H]2CCCCCN2C(=O)COc2ccc(C(C)=O)cc2[N+](=O)[O-])cc1 440882935 RWROYESNWBZGCW-FQEVSTJZSA-N 426.469 4.329 5 20 IIBD C[C@@H](O)C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccccc1 444229730 WHUZBHZIPYWYAV-GDBMZVCRSA-N 436.458 4.244 5 20 IIBD CCOC(=O)CC1(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CCCCC1 444238272 AOMMRXKERIDBFO-UHFFFAOYSA-N 438.499 4.454 5 20 IIBD CCc1[nH]nc(C(=O)N[C@H](c2cccc(SC)c2)c2ccc(F)c(F)c2)c1[N+](=O)[O-] 444289086 HCEYEZBFOODMEH-QGZVFWFLSA-N 432.452 4.400 5 20 IIBD CCc1[nH]nc(C(=O)N[C@@H](c2ccc(OC)cc2)c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] 444352077 MOCOPLMGEITOKO-QGZVFWFLSA-N 448.401 4.427 5 20 IIBD CCC[C@@]1(CO)CCCN1C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 444534467 PCFBPYMNAFIQPG-VWLOTQADSA-N 448.523 4.144 5 20 IIBD COc1cccc([C@H]2[C@H](c3nc(Cc4cccc([N+](=O)[O-])c4C)no3)CC(=O)N2C2CC2)c1 445230444 IWTMDOSJBPRCPD-XXBNENTESA-N 448.479 4.105 5 20 IIBD CCCOc1c(Cl)cc(/C=C/c2nc(-c3c([N+](=O)[O-])ncn3C)no2)cc1OCC 445579502 NRPILIQONBKSCX-VOTSOKGWSA-N 433.852 4.390 5 20 IIBD CCOc1cc(C(=O)N2C[C@@H](c3cccc(Cl)c3)OC[C@@H]2C)c([N+](=O)[O-])cc1OC 446250459 UPSWRXQAPYGGRV-RBZFPXEDSA-N 434.876 4.258 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1Cn1cnc2c(F)cc(Br)cc2c1=O 447361200 WKTKSUKAUZCRNC-UHFFFAOYSA-N 436.237 4.042 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)CCc1cncc2ccccc12)c1ccccc1[N+](=O)[O-] 462446280 JSPWZDPUAYPYLO-OAQYLSRUSA-N 435.480 4.275 5 20 IIBD CC(C)(C)C(=O)Nc1nccnc1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 463727903 KGBIFTQXHJDEHC-UHFFFAOYSA-N 435.440 4.414 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccc(N2CCc3ccccc3C2)nc1 463968653 ZGSKQTSWHDOPRE-UHFFFAOYSA-N 431.496 4.491 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@@H](n2cccn2)Cc2ccccc21 464400146 OTKXEYYFKRHYAC-KRWDZBQOSA-N 426.860 4.044 5 20 IIBD C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464782180 VPSJHRZEZWSHBZ-AWEZNQCLSA-N 437.418 4.484 5 20 IIBD COc1cc(C(=O)N[C@H]2CCc3c[nH]nc3C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 468097749 UFXGAXAAIOTNGA-HNNXBMFYSA-N 442.859 4.060 5 20 IIBD COC(=O)c1ccc(C(C)C)c(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 468192231 MQFMIFSOLIELCC-UHFFFAOYSA-N 425.485 4.360 5 20 IIBD Cc1ccc(F)cc1-c1nnc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])s1 469897779 NKOABNKHUWRXMT-UHFFFAOYSA-N 443.279 4.637 5 20 IIBD COc1cc(OCC(=O)NCC[C@H](C)c2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] 470006053 LSKPITLIJGBBGM-ZDUSSCGKSA-N 426.391 4.311 5 20 IIBD CCOC(=O)c1csc(N(C)C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)n1 471139385 GGEJNOYSYSTCAF-UHFFFAOYSA-N 427.438 4.297 5 20 IIBD C[C@@H](C(=O)Nc1ccccc1N1CCC(CN(C)C)CC1)c1ccc([N+](=O)[O-])cc1F 471232348 WKOFZKUSOOQKIE-MRXNPFEDSA-N 428.508 4.254 5 20 IIBD COc1ccc(CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C(C)(C)C)c(OC)c1 472501141 OQYJNSIFCWFSCK-UHFFFAOYSA-N 438.484 4.239 5 20 IIBD COc1ccc(CNC(=O)C(=O)Nc2cc(Cl)ccc2SC(C)C)cc1[N+](=O)[O-] 473222933 YXQVNSKOEQDJIY-UHFFFAOYSA-N 437.905 4.012 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC(O)(Cc4cccc(F)c4)CC3)o2)c1 473439295 QWGPHTAAWZZUKK-UHFFFAOYSA-N 425.460 4.001 5 20 IIBD CCn1cc(CN(CCO)Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)cn1 475484144 CSGMLSRJAJVOTJ-UHFFFAOYSA-N 430.892 4.251 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1nc(-c2cc3ccccc3o2)cs1 476205813 WHNGOVJYUPROGP-UHFFFAOYSA-N 433.442 4.082 5 20 IIBD C[C@@H](Nc1cccc(N2C(=O)COCC2=O)c1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 479553802 KPXVFHVQSWLXGO-CQSZACIVSA-N 437.477 4.386 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H](C)[C@H](OC)c2ccccc2Cl)cc1[N+](=O)[O-] 479696580 UTCMOFOKIYAEDZ-RBZFPXEDSA-N 438.933 4.382 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)N(C)[C@@H](c2ccc(Cl)cc2)c2cnccn2)c1[N+](=O)[O-] 480705813 NFUUCWXJSQJRSD-IBGZPJMESA-N 446.916 4.065 5 20 IIBD COc1ccccc1-c1nc(C2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)no1 481206843 WOHNVDOMDCVFKP-UHFFFAOYSA-N 442.859 4.327 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N(CCc1ccccc1)Cc1ccncc1 486983795 KDSPUYCTEIMLJT-UHFFFAOYSA-N 427.464 4.061 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC1(c2c(Cl)cccc2Cl)CCC1 487230920 AKDLOKLMEXFWKF-UHFFFAOYSA-N 436.251 4.005 5 20 IIBD CCn1c(SCCC(=O)NCc2ccccc2Cl)nnc1-c1ccc([N+](=O)[O-])cc1 489394458 BXNDJCMUELFJOA-UHFFFAOYSA-N 445.932 4.325 5 20 IIBD COc1ccc(CSCC(=O)Nc2cc(F)c(OC(F)F)cc2F)cc1[N+](=O)[O-] 490252511 OSXBMRPGLLNTQR-UHFFFAOYSA-N 434.367 4.355 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](c1ccccc1)c1ncc[nH]1 492888513 DHLKNMVFOSDCIS-KRWDZBQOSA-N 429.274 4.250 5 20 IIBD CN1CC[C@H]2CCN(C(=O)c3ccc(NCc4ccccc4Cl)c([N+](=O)[O-])c3)[C@@H]2C1 493439977 QFVOLLICMULBIE-YCRPNKLZSA-N 428.920 4.027 5 20 IIBD CCOC(=O)[C@H]1CCCc2sc(NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)nc21 493533599 CGRCCPKCHMEILG-RISCZKNCSA-N 435.527 4.154 5 20 IIBD CN(C(=O)Cc1ccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])cc1)c1ccccc1 497419628 WNECGRFQJYRYHM-UHFFFAOYSA-N 433.464 4.208 5 20 IIBD COc1cc2c(cc1OC)CN(Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])o1)CC2 499228478 MOACNAPLIVXSOS-UHFFFAOYSA-N 437.452 4.016 5 20 IIBD CC(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O 499739966 JGEQCYHUHKZKBM-UHFFFAOYSA-N 426.300 4.138 5 20 IIBD C[C@H]1CN(Cc2ccccc2NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[C@H](C)O1 501424189 NQOUADFUMZIFGS-ROUUACIJSA-N 438.528 4.057 5 20 IIBD COc1cc(CN2CCC(N3CCc4ccccc43)CC2)c([N+](=O)[O-])cc1OCC(F)F 502315174 HIROHYLTSSJUFJ-UHFFFAOYSA-N 447.482 4.274 5 20 IIBD CN1CCC(CNC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)CC1 505422233 UXAZDPDCERWEAW-UHFFFAOYSA-N 442.566 4.427 5 20 IIBD COc1ccc(CNC2CCN(C3CCC3)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 507902188 IXOJSAUAVMUVDA-UHFFFAOYSA-N 425.529 4.289 5 20 IIBD CC[C@H](c1ccncc1)N(C)C(=O)c1cc([N+](=O)[O-])cc(I)c1C 509408607 AMFQBEPSVCMSEG-MRXNPFEDSA-N 439.253 4.126 5 20 IIBD NC(=O)c1ccc(SCC(=O)N2CCC[C@H]2c2cccc3ccccc23)c([N+](=O)[O-])c1 510122824 CKDQOWVTSCZWIA-IBGZPJMESA-N 435.505 4.303 5 20 IIBD COCCOc1cccc(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 511020657 ZBMWNWXALKLVHW-GFCCVEGCSA-N 427.379 4.078 5 20 IIBD COc1cc(CCNC(=O)C2(c3cccc(F)c3)CCCCC2)c([N+](=O)[O-])cc1OC 512300565 RJXAEGHJDRMAKP-UHFFFAOYSA-N 430.476 4.312 5 20 IIBD COCCCCN(Cc1ccccc1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 512816394 GZCQJYVLKVZMAD-UHFFFAOYSA-N 425.529 4.267 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)cc1[N+](=O)[O-] 513301556 YRDHUZRFJQANDW-UHFFFAOYSA-N 443.308 4.110 5 20 IIBD Cn1ccnc1[C@H](NCc1ccnc(OCc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 514089047 NPHZRBPXYUDMEO-HSZRJFAPSA-N 429.480 4.182 5 20 IIBD COc1cc(C(=O)Nc2cc(NC(=O)C(C)C)ccc2C)c([N+](=O)[O-])cc1OC(F)F 514566516 FRNPEJFYIVWHRR-UHFFFAOYSA-N 437.399 4.360 5 20 IIBD CCOc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)o1 514693152 YCQNXLPDFSDXJB-CYBMUJFWSA-N 428.470 4.471 5 20 IIBD O=C(Cn1cc(Br)c([N+](=O)[O-])n1)N[C@H](c1ccccc1)c1cccc(Cl)c1 515604798 OGPRGZCLVJBULO-QGZVFWFLSA-N 449.692 4.113 5 20 IIBD COc1ccc(CNC(=O)NCCc2ccc(OCc3ccccc3)cc2)cc1[N+](=O)[O-] 515778729 XEMPLVVOCBEFGE-UHFFFAOYSA-N 435.480 4.224 5 20 IIBD COc1cc(C(=O)N(C)Cc2ccc(C)cc2)c([N+](=O)[O-])cc1OCc1cscn1 516667652 AAXLCOHLYPEVHF-UHFFFAOYSA-N 427.482 4.220 5 20 IIBD COc1ccc(S(=O)(=O)Nc2c(C)c(C(C)(C)C)nn2-c2ccccc2)cc1[N+](=O)[O-] 517400986 FXUPZEUASDULTE-UHFFFAOYSA-N 444.513 4.196 5 20 IIBD O=C(Nc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 520079386 HJWDLRFMNVEKOH-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD Cc1c(NC(=O)N[C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)cccc1[N+](=O)[O-] 522421989 PGUSKXPTRLOBIB-HNNXBMFYSA-N 425.489 4.042 5 20 IIBD CCCN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCN(C(=O)c2ccccc2)CC1 522513643 RAHJSOFXMOQUPO-UHFFFAOYSA-N 429.904 4.405 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2nc3cc(F)c(F)cc3s2)ccc1[N+](=O)[O-] 522599483 GHABCXAKHUAMDL-INIZCTEOSA-N 446.435 4.034 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1 522651845 NKROXKMSEPQIOJ-NDEPHWFRSA-N 436.555 4.285 5 20 IIBD C[C@@H](NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C(=O)NCc1ccccc1 522708658 CUIHWZIZVUEQSN-MRXNPFEDSA-N 434.452 4.214 5 20 IIBD COC(=O)C[C@@H]1CSCCN1C(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 523576613 UKWDCTRSSFIOBS-MRXNPFEDSA-N 446.550 4.175 5 20 IIBD O=C(Nc1c(Cl)cc(NC(=O)c2ccccc2[N+](=O)[O-])cc1Cl)c1cnccn1 523812843 HCJYLKZSFIMHTG-UHFFFAOYSA-N 432.223 4.196 5 20 IIBD CC(C)[C@@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccncc2)no1 523980644 QJYFXRNKUCGRPG-SUMWQHHRSA-N 427.486 4.034 5 20 IIBD O=c1c2cnn(-c3ccccc3[N+](=O)[O-])c2ncn1Cc1csc(C2CCCCC2)n1 524475903 QZKCIFDIEYJLLS-UHFFFAOYSA-N 436.497 4.043 5 20 IIBD CCOc1cc(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)c([N+](=O)[O-])cc1OCC 524481464 XTEDKXNQAWRHAI-GOSISDBHSA-N 442.516 4.178 5 20 IIBD CN1CCN(C)[C@@H](CNCc2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)C1 524640578 UMRNVZVPGOWTNQ-FQEVSTJZSA-N 426.561 4.020 5 20 IIBD CCc1c(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cnn1-c1ccc(C)cc1 525215894 SDSHQTWMIAHODU-UHFFFAOYSA-N 434.496 4.335 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@H]2c3ccccc3C[C@@H]2O)cc1 531251043 WXWSWQDBKIKXTK-ZCYQVOJMSA-N 426.476 4.195 5 20 IIBD O=C(N[C@H]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1)c1cc2ccccc2o1 531276208 FTBCHKXXCUDRJS-HNNXBMFYSA-N 427.844 4.029 5 20 IIBD C[C@@H]1C[C@H](c2ccc(F)cc2)CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br 533436181 FPOQBUQDJRWIMI-OCCSQVGLSA-N 436.281 4.313 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(C(=O)NCc2ccccc2)cc1 535461553 XQBPJFHTRIWBEH-UHFFFAOYSA-N 428.448 4.187 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CNc3cccc(F)c3I)n2)c1 536198722 OBMNVAIKKPZFTE-UHFFFAOYSA-N 440.172 4.001 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN2CCN(C[C@H]3CCOC3)CC2)cc1 536664874 UKNBIKMYZYHAPT-GOSISDBHSA-N 431.920 4.195 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)CCC1CCN(c2ccncc2)CC1 536702042 ANBFCXKRJVSFJW-KRWDZBQOSA-N 436.516 4.339 5 20 IIBD COc1cc(CN2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)c([N+](=O)[O-])cc1OC 537623281 BLIJMQTYRMKKHX-UHFFFAOYSA-N 438.402 4.124 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)c1 538414980 VNGMBQHGBVCCGE-QGZVFWFLSA-N 439.512 4.491 5 20 IIBD CCN(CC)S(=O)(=O)c1cc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)ccc1C 538752457 MOGTYFOJCURPIN-UHFFFAOYSA-N 433.530 4.111 5 20 IIBD CCCN1C(=O)CCc2cc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)ccc21 540251466 FWKGKXFKVJIENM-UHFFFAOYSA-N 439.515 4.483 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1OC 542587956 VTPKLSJXXXLTSJ-QFBILLFUSA-N 432.448 4.134 5 20 IIBD C[C@@H](Cc1cc(Br)ccc1F)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] 543977847 PIHOYMFIZLJWPE-QMMMGPOBSA-N 437.312 4.005 5 20 IIBD COc1cc(C(=O)Nc2c(C)noc2C2CC2)c([N+](=O)[O-])cc1OCc1cscn1 544345290 ILJXMGAZABGXGI-UHFFFAOYSA-N 430.442 4.065 5 20 IIBD C[C@@]1(CO)CCCN1C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 544774645 FKCJKGLAQKTGPD-FQEVSTJZSA-N 429.523 4.343 5 20 IIBD CC(C)NC(=O)Nc1ccc(-c2noc(-c3ccn(-c4ccccc4[N+](=O)[O-])n3)n2)cc1 544854125 DEDZLEAMWHLOER-UHFFFAOYSA-N 433.428 4.027 5 20 IIBD CC(C)(C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1ccc([N+](=O)[O-])cc1F 545121654 OVRQGKCTTZLOCV-QFIPXVFZSA-N 449.482 4.378 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(OCC(=O)NC3CC3)c2)no1 545682900 JIECHZDULPDRNK-ZDUSSCGKSA-N 440.481 4.156 5 20 IIBD Cc1cc(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)nn1-c1ccc(F)cc1F 545785045 PJGPMYDYNWKBNJ-UHFFFAOYSA-N 436.378 4.489 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(-c2nc(-c3cncc(Br)c3)no2)c1 546314337 QMUMMUCNENIVFH-UHFFFAOYSA-N 426.024 4.232 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC(Cc1ccccc1)Cc1ccccc1 547333392 MWJINBFKWLNOSX-UHFFFAOYSA-N 431.492 4.120 5 20 IIBD Cc1cc(F)c(NC(=O)NCCc2ccccc2[N+](=O)[O-])c(I)c1 548383225 YLENXMGDTGSWCL-UHFFFAOYSA-N 443.216 4.011 5 20 IIBD CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C[C@@H](C)[S@@]1=O 553065900 ZLCAQWUNSRCLBL-HCELYDKLSA-N 449.960 4.232 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N1CC2(CCOC2)C1 554713123 WCPYUWOTIUSNFM-BOPFTXTBSA-N 435.505 4.384 5 20 IIBD CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 554723028 MXFQOWSFBBYMBJ-MTNREXPMSA-N 439.537 4.123 5 20 IIBD CN(C(=O)c1cc(I)cc([N+](=O)[O-])c1)c1ccc(Cl)cc1F 562498282 XAFCEQCKZAHQLN-UHFFFAOYSA-N 434.592 4.269 5 20 IIBD COc1cc(Cc2noc(-c3cc(-c4cccc(F)c4)no3)n2)c([N+](=O)[O-])c(OC)c1 563593139 MFKGUXXQDSWRDC-UHFFFAOYSA-N 426.360 4.047 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)c1 564190662 RXOUXTDGABAIKP-HXUWFJFHSA-N 438.402 4.144 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2c2nc(CSCc3ccco3)no2)ccc1[N+](=O)[O-] 565269921 MCYXULUZXDHTPU-KRWDZBQOSA-N 428.470 4.290 5 20 IIBD CCN(CC)CC(=O)Nc1cccc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)c1 569963890 MZOBVMXTSFRMDL-UHFFFAOYSA-N 438.406 4.146 5 20 IIBD COC[C@@H](NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)c1cccc(Cl)c1 574118050 ANHTYPGYQPXMHY-HXUWFJFHSA-N 442.903 4.227 5 20 IIBD CN(C)CCOc1ccccc1-c1noc(-c2ccc3[nH]c4ccccc4c(=O)c3c2)n1 574197428 LLFHJLRTXZHMKE-UHFFFAOYSA-N 426.476 4.339 5 20 IIBD COc1cc(CNCc2cn3cc(C)ccc3n2)c([N+](=O)[O-])cc1OCc1ccccc1 583647150 HLOIQOHHVLONHE-UHFFFAOYSA-N 432.480 4.428 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)c1ccc(Br)cn1 585738978 SDJNFRSFPKBMRQ-UHFFFAOYSA-N 429.068 4.100 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCc1nc(-c2ccccn2)cs1 599248530 DZHZELZEVUXOQI-UHFFFAOYSA-N 440.528 4.032 5 20 IIBD O=C(Nc1ccccc1N1CCc2ccccc21)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 603657709 GCWKFEUGAWAUEN-UHFFFAOYSA-N 444.495 4.038 5 20 IIBD COc1ccccc1-c1cc(NC(=O)COc2cccc([N+](=O)[O-])c2)n(-c2ccccc2)n1 603760853 VEHWNTHCRBCISP-UHFFFAOYSA-N 444.447 4.474 5 20 IIBD CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1OCC(=O)N1CCCC1 603977431 ULHFTROPCSSQLU-LJQANCHMSA-N 445.903 4.131 5 20 IIBD C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1Cl 603988076 YYESMPTUUPYKEV-AWEZNQCLSA-N 431.876 4.280 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(N[C@H](C)c3nc(C4CC4)no3)cc2)cc1[N+](=O)[O-] 604044021 OKWVGPIHHNRRBG-CYBMUJFWSA-N 443.485 4.138 5 20 IIBD O=C(NC1CC1)c1ccc(N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 604270640 FZLQOPUYZWGFQU-PHIMTYICSA-N 425.329 4.054 5 20 IIBD O=C(NC[C@H]1CCN(CC(F)(F)F)C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 608812303 JYFUCQQPUWJZAT-CQSZACIVSA-N 439.459 4.360 5 20 IIBD CC(C)(C)C[C@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(F)cc1 609392186 UNLOOXAUAKTTCX-INIZCTEOSA-N 435.883 4.411 5 20 IIBD CCc1ccc(-c2csc(NC(=O)[C@@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)n2)s1 609414128 DWEVOEYNQYKBBL-LLVKDONJSA-N 430.511 4.099 5 20 IIBD O=C1[C@@H](Sc2nnc(Cc3c(F)cccc3Cl)o2)CCN1c1cccc([N+](=O)[O-])c1 609450421 VRELBIMTXJDOCI-INIZCTEOSA-N 448.863 4.259 5 20 IIBD Cc1cc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)ccc1OC1CCOCC1 609980295 BZKQYOIPEMNVCZ-UHFFFAOYSA-N 439.512 4.316 5 20 IIBD CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 610968925 VLHHJZDPBDTDIH-QFIPXVFZSA-N 438.524 4.421 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(C[S@@](=O)Cc3ccn(-c4cccc(F)c4)n3)co2)cc1 611165635 XHNAMQQJABBAJT-PMERELPUSA-N 426.429 4.024 5 20 IIBD O=C(N[C@H]1CCN(c2ccccc2F)C1=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611205920 PZBMCTPJZWLTPC-SFHVURJKSA-N 443.500 4.304 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)cc1OC 619564650 PBJYBNLOSICUAO-UHFFFAOYSA-N 430.501 4.198 5 20 IIBD CCC(CC)C(=O)N1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 619668487 ASLDAAJFKACZPO-UHFFFAOYSA-N 441.553 4.467 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CC3(CCC3)c3c(F)cccc32)cc1Br 726155287 JXHKKJAOTUZBMU-UHFFFAOYSA-N 441.278 4.127 5 20 IIBD C[C@H](Sc1ncccc1C(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1 726325384 DJHDGMZWVIJMSA-GJZGRUSLSA-N 429.498 4.011 5 20 IIBD COc1ccc(CC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1[N+](=O)[O-] 727661619 BDKJLMQVLZZTOR-MRXNPFEDSA-N 433.464 4.276 5 20 IIBD CC(C)(C)OC(=O)N1CCCc2cc(Nc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])ccc21 729184320 YNCGDEZSNMPLDN-UHFFFAOYSA-N 447.513 4.430 5 20 IIBD COc1ccc2oc(C)c(C(=O)OCC3CCN(c4ncccc4[N+](=O)[O-])CC3)c2c1 729193465 RDKDBVPHIQBQMG-UHFFFAOYSA-N 425.441 4.126 5 20 IIBD COc1ccccc1C/C(C)=C\C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 730348315 XQSNELYFVJUXDQ-YBEMTRGBSA-N 432.860 4.316 5 20 IIBD C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1cc2ccccc2s1 730508496 ZQDAZOSGMSFRJV-TZMCWYRMSA-N 427.457 4.179 5 20 IIBD CCNC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 731463597 OSHTZJVPAZYGAY-UHFFFAOYSA-N 426.654 4.013 5 20 IIBD COc1ccccc1Oc1ccc(CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 732222516 XSRLBJQDYOGCNY-UHFFFAOYSA-N 432.429 4.013 5 20 IIBD O=C(OCCCc1nc2ccccc2s1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 732497331 NCERWAWWBPATMI-AWEZNQCLSA-N 445.522 4.047 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(Cl)cc1OCC(F)(F)F 733773879 GZEVGXIEGXMIFR-UHFFFAOYSA-N 428.754 4.178 5 20 IIBD CCc1ccc(OC(=O)CSc2nnc(-c3ccccc3C)n2CC)c([N+](=O)[O-])c1 734739461 DEGFZFLHUPHEQE-UHFFFAOYSA-N 426.498 4.442 5 20 IIBD Cc1cccc(-n2nc(-c3ccco3)cc2NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c1 737691643 MNXRMEUYTHSNBK-UHFFFAOYSA-N 442.435 4.337 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1Br 739581031 YSJTYHYHYYDSCW-HIFRSBDPSA-N 443.294 4.094 5 20 IIBD CC(C)(C)OC(=O)N[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 740818673 BNGRZQDVDCMJOW-SFHVURJKSA-N 433.892 4.173 5 20 IIBD C[C@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 742529969 LMCNOUXVRPLOFU-OXJNMPFZSA-N 427.501 4.455 5 20 IIBD CCOc1ccc(-c2noc(COC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)cc1 745565583 SWIYQVPVHIGYSF-UHFFFAOYSA-N 437.330 4.419 5 20 IIBD C[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccccc1OC(F)F 745569718 ZGVRTSKIVSRFCL-SECBINFHSA-N 448.300 4.399 5 20 IIBD CC(C)OC(=O)NCc1ccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 747314874 IXOTXEPYDUZKBZ-UHFFFAOYSA-N 426.473 4.426 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(N2CCc3sccc3C2)cc1 748649829 JEBDTGOXJCDULD-UHFFFAOYSA-N 433.493 4.207 5 20 IIBD CC(C)[C@@H](CCN(C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)NC(=O)OC(C)(C)C 749502873 UCRHBYHSVHHVJP-GOSISDBHSA-N 448.564 4.206 5 20 IIBD O=C(COC(=O)c1cc(F)c(F)cc1Br)Nc1cc([N+](=O)[O-])ccc1Cl 750197232 WPRFNMFDJXHGRY-UHFFFAOYSA-N 449.591 4.084 5 20 IIBD C[C@H](C[C@@H](O)c1cccs1)NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 752279041 RHMQEXRCRNGIBQ-STXHMFSFSA-N 440.525 4.466 5 20 IIBD COC[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1cccc(Cl)c1 752932939 SHLLSNQEIICUCD-CYBMUJFWSA-N 431.645 4.267 5 20 IIBD Cc1c(Br)cc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)cc2F)cc1[N+](=O)[O-] 753429662 CHMFXKMGLWYARM-SECBINFHSA-N 443.200 4.128 5 20 IIBD Cc1noc(C)c1[C@H](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 753999309 IOWFBXFTCZMFGM-GFCCVEGCSA-N 440.422 4.061 5 20 IIBD O=C(NCc1cc(Br)cs1)c1cc(F)cc([N+](=O)[O-])c1Br 754637686 WZPKSPFDHYPVIP-UHFFFAOYSA-N 438.072 4.250 5 20 IIBD O=[N+]([O-])c1cccc2c1CCN2Cn1nc(-c2cccnc2)n(-c2ccccc2)c1=S 754776980 XKCVSSMVCXVZIK-UHFFFAOYSA-N 430.493 4.394 5 20 IIBD O=C(COC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1)Nc1nc(-c2ccc(F)cc2)cs1 754787286 DKQIAEXXRHBXPC-UHFFFAOYSA-N 440.412 4.134 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2ncc(F)cc2F)c2ccccc2)c([N+](=O)[O-])c1 758621624 WCFVQTMPKIFOGP-LJQANCHMSA-N 427.363 4.113 5 20 IIBD O=C1OCCN1c1ccc(-c2noc(-c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)n2)cn1 762158413 MOSATSPVVLPXNT-UHFFFAOYSA-N 444.407 4.407 5 20 IIBD CCN(CC)[C@@H](CNC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cccc(OC)c1 764738397 NCOCSKFIXPIMSE-DEOSSOPVSA-N 426.561 4.245 5 20 IIBD O=[N+]([O-])c1ccc2nc(Sc3ccc(CN4CCC[C@@H]4CO)cc3[N+](=O)[O-])sc2c1 768239090 DEMOJKAFHJKXHE-CQSZACIVSA-N 446.510 4.221 5 20 IIBD COc1ccc2c(C)c(CCC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)c(=O)oc2c1 769374875 MIXXEZUKCZSMCU-UHFFFAOYSA-N 436.464 4.142 5 20 IIBD CSc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 770156918 LNDNLHRYGMTWQL-JTQLQIEISA-N 439.287 4.263 5 20 IIBD C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1Cc1ccc(Br)c([N+](=O)[O-])c1 770386252 MECPGQFGXQPHEO-OCCSQVGLSA-N 428.327 4.092 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc2nc(C(F)(F)F)cn2c1 770432475 WNPBCTYKMQUULE-UHFFFAOYSA-N 432.314 4.273 5 20 IIBD CCc1nc2ccccc2n1C1CCN(CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CC1 771625755 HJNHHVOZJKUDAU-UHFFFAOYSA-N 448.527 4.044 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H](O)c2c(Cl)cccc2Cl)cc1SC 771712501 NATOAEYPAGWXDM-XLFHBGCDSA-N 445.324 4.484 5 20 IIBD C[C@H](c1nnc(SC[C@H](O)c2ccc([N+](=O)[O-])cc2)n1-c1ccc(Cl)cc1)N(C)C 776271281 JUOBONJAFDQUCR-ACJLOTCBSA-N 447.948 4.277 5 20 IIBD COc1cccc(Oc2ncccc2CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c1 778010574 RWGHUTPKFLNKQB-UHFFFAOYSA-N 429.379 4.199 5 20 IIBD CN(C[C@H]1CCCC[C@H]1O)C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 778501378 MFGRZYVLWNHBOP-JLTOFOAXSA-N 445.903 4.124 5 20 IIBD CNS(=O)(=O)c1ccc(Cl)c(C(=O)O[C@H](C)c2cc([N+](=O)[O-])ccc2C)c1Cl 778814173 DKFZXGFEMVOQRD-SNVBAGLBSA-N 447.296 4.036 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 779344624 IWOSUJUIKOTYDW-UHFFFAOYSA-N 449.288 4.309 5 20 IIBD C[C@H](OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)NC[C@H](C)c1ccccc1 781260212 STKOXBIKXYUQIW-IRXDYDNUSA-N 428.488 4.147 5 20 IIBD O=C(CCN1CCC[C@@H](c2nc3c(s2)CCCC3)C1)Nc1cc([N+](=O)[O-])ccc1F 782511994 ISYVNYKAFSUQGQ-CQSZACIVSA-N 432.521 4.277 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 782725684 MSTTWOIZLMEAIV-QGZVFWFLSA-N 441.242 4.389 5 20 IIBD COc1cc(C(=O)N2CCCCc3c(Br)cccc32)c([N+](=O)[O-])cc1OC 784122975 YLPJLLDPXGYWCN-UHFFFAOYSA-N 435.274 4.358 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@@H](C3(C)OCCO3)C2)c([N+](=O)[O-])c1 784573520 VPRGOJYGSLAZAY-DENIHFKCSA-N 439.512 4.058 5 20 IIBD COc1cc(C(=O)Nc2c(C)nc3ccc(Cl)cn23)c([N+](=O)[O-])cc1OC(F)F 786652419 FJWFXWDXWQTGEU-UHFFFAOYSA-N 426.763 4.067 5 20 IIBD CC(C)(C)OC(=O)NCc1cccc(C(=O)O[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 786958978 OZSKTQGQIGORIZ-ZWKOTPCHSA-N 444.488 4.157 5 20 IIBD CC[C@@H](OC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(Cl)c1F 787035595 NENCDHIZVRNHHW-CQSZACIVSA-N 426.853 4.273 5 20 IIBD C[C@H](OC(=O)c1cc2ccccc2n1CC(F)(F)F)C(=O)Nc1ccccc1[N+](=O)[O-] 787192293 PGTROKVQPFAOPL-LBPRGKRZSA-N 435.358 4.296 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccc(NC(=O)c2ccccc2)nc1 790562770 VIQATDGJDFKKLY-UHFFFAOYSA-N 428.807 4.216 5 20 IIBD C[C@@H](OC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc(Cl)ccc1F 790740713 KJIZSSXGGPRYAD-MRVPVSSYSA-N 433.194 4.293 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCC(=O)N(C)[C@@H](C)c1ccccc1 792473476 GAIQWXLETIXONU-ZDUSSCGKSA-N 435.274 4.042 5 20 IIBD C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H](c2cccc(C(F)(F)F)c2)O1 795073220 HHJXLJDBJIEDAE-KPZWWZAWSA-N 425.363 4.484 5 20 IIBD CC(C)c1[nH]nc(C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)c1[N+](=O)[O-] 796254347 GQEMZFKYPNQXTM-UHFFFAOYSA-N 438.465 4.428 5 20 IIBD CC(C)(C)OC(=O)NC[C@@]1(C)CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 801029570 FRLQPZMMDVQQRS-OAQYLSRUSA-N 446.529 4.095 5 20 IIBD O=C(NCc1nccn1-c1ccccc1)c1cc(Br)cc([N+](=O)[O-])c1Cl 801968238 RDSCEGMTYIPPGX-UHFFFAOYSA-N 435.665 4.126 5 20 IIBD COc1cc(Cc2noc(Cc3cccc(Br)c3C)n2)c([N+](=O)[O-])c(OC)c1 809489552 KUAUXCUEXGGHQY-UHFFFAOYSA-N 448.273 4.248 5 20 IIBD O=C(Cc1cccc(OCc2cccnc2)c1)O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 810628200 CSVYJSVMFPPERC-RTWAWAEBSA-N 436.468 4.035 5 20 IIBD O=C(OCc1cc(I)cc([N+](=O)[O-])c1)[C@H]1CCCC(F)(F)C1 811036691 IUJBQXQXYGDPRF-JTQLQIEISA-N 425.169 4.068 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 912627360 UAPQQFHHTXHSDY-UHFFFAOYSA-N 446.312 4.184 5 20 IIBD COc1cc(OC)c(C2CCN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)CC2)c(OC)c1 913088212 NBWOUIBUORSVNP-TWGQIWQCSA-N 426.469 4.040 5 20 IIBD COC(=O)c1ccc(CS(=O)(=O)Oc2ccc([N+](=O)[O-])cc2-c2cccs2)cc1 914771648 KYUMPFSIUNKLME-UHFFFAOYSA-N 433.463 4.019 5 20 IIBD CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc2)c1C 915139202 ULCFCEYXOVAYIJ-UHFFFAOYSA-N 428.832 4.171 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 916535814 KJSDPNBYWJCZQG-GJZGRUSLSA-N 444.484 4.239 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NCc2ccccc2CN2CCC(C)CC2)c1[N+](=O)[O-] 917070983 WFAPBHCDLOFOGT-UHFFFAOYSA-N 428.489 4.148 5 20 IIBD O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NCC1(c2ccccc2)CCOCC1 917171953 WKZFKXCGQOOFLI-UHFFFAOYSA-N 443.550 4.161 5 20 IIBD C[C@H](NC(=O)COC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(Cl)c(Cl)c1 917330623 VJYSHUJDMYPOAJ-JTQLQIEISA-N 436.251 4.417 5 20 IIBD O=C(NS(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H](Sc1ccccc1)c1ccccc1 917448084 TZCUWDRNRRGWGT-IBGZPJMESA-N 446.481 4.072 5 20 IIBD COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)CCOc2ccccc2[N+](=O)[O-])c1 917691754 VRWMSYUVTKHYCD-UHFFFAOYSA-N 431.445 4.358 5 20 IIBD CC1=NN(c2ccc(C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2)CC1 919144413 PKAVRDZEGOMANE-ZDUSSCGKSA-N 430.848 4.018 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 919864430 DEGAEBDTQMCFFD-RMKNXTFCSA-N 434.414 4.491 5 20 IIBD C[C@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccc(Cl)c(F)c1 1319658637 XXOAGBSDOHJVHA-JTQLQIEISA-N 435.868 4.158 5 20 IIBD O=C(c1cccs1)C1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 1321380323 GMERRUGJGNXWLX-UHFFFAOYSA-N 441.431 4.480 5 20 IIBD O=[N+]([O-])c1cccc(CN(c2nnc(C3CCCCC3)n2C[C@@H]2CCOC2)C2CC2)c1 1345098039 DCOJOOGIPMQTJZ-SFHVURJKSA-N 425.533 4.440 5 20 IIBD C[C@H]1CCC[C@H]1C(=O)Nc1ccc(C2(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)CCC2)cc1 1789204999 AVSCBELZWBQYQE-HNAYVOBHSA-N 437.496 4.484 5 20 IIBD C/C=C/C=C\C(=O)NC1(c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])c(OC)c3)cc2)CCC1 1790479255 IYLNQOWBGUGVOH-BZDQXIRASA-N 449.507 4.412 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCCC2(CCN(C(=O)c3ccc(Cl)s3)CC2)C1 1804646219 PQYAOMZRBDKEOK-UHFFFAOYSA-N 437.905 4.061 5 20 IIBD O=C(Cc1ccc(Cl)cc1[N+](=O)[O-])Nc1cc([C@@H]2CCCCN2C(=O)C2CCC2)[nH]n1 1814844259 BBNTUVOESFMVBZ-KRWDZBQOSA-N 445.907 4.006 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1)c1ccc(Cl)cc1 1820559882 KNUBDNCROJUXQS-HNNXBMFYSA-N 443.847 4.184 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CCCCN2C(=O)C2CCC2)CC1 1826249390 IGXYCRRZOJKXJC-VIOKTNGOSA-N 425.529 4.028 5 20 IIBD CSc1ccc(C(=O)OCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] 9621882 CMIQHPNDGHVMER-UHFFFAOYSA-N 430.360 4.011 5 20 IIBD CCCn1c(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccncc1 9667182 QJSMVVNYSOBNBJ-LBPRGKRZSA-N 446.920 4.431 5 20 IIBD C[C@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)c1ccc(Cl)c(Cl)c1 10016942 RMOAHNXJRXYLHP-NSHDSACASA-N 440.283 4.002 5 20 IIBD COc1cccc(Nc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)s2)c1 10267337 IVKFFMMUXMHIIP-UHFFFAOYSA-N 431.499 4.238 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 10856123 AERMLNDKLMJSEW-LJQANCHMSA-N 449.960 4.067 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N(C)Cc3nc4ccccc4s3)cc2)c(C)c1[N+](=O)[O-] 15091705 GMUILXRWSFRHQG-UHFFFAOYSA-N 435.509 4.338 5 20 IIBD O=C(COC(=O)Cc1csc(-c2cccs2)n1)Nc1cc(Cl)ccc1[N+](=O)[O-] 17935415 ZRUQHPNISDGGBJ-UHFFFAOYSA-N 437.886 4.158 5 20 IIBD C[C@@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)Nc1c(F)c(F)c(F)c(F)c1F 22794659 WBBBOBWAYXYVOL-RXMQYKEDSA-N 438.692 4.128 5 20 IIBD COc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cc1OC 24593939 UZZHAUAJXWTMHA-UHFFFAOYSA-N 449.463 4.161 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(NC2CCCCC2)s1 28389613 AOLPIPQCRFJYRH-LLVKDONJSA-N 437.547 4.319 5 20 IIBD C[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 28910667 BUPPRWOJENWJPT-GFCCVEGCSA-N 436.390 4.180 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCc2cccnc2Oc2cccc(F)c2)cc1C 60499761 ODPWJHZTMQYPBC-UHFFFAOYSA-N 431.445 4.017 5 20 IIBD CN(Cc1csc2ccccc12)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 60686710 IYQRJEPRDMCERP-UHFFFAOYSA-N 425.466 4.156 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)cc1C 63878300 ZUBCYQZEJTTYAY-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD COc1ccc(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c(OC)c1 108782145 QCGFJXNMCQNLEW-HNNXBMFYSA-N 436.468 4.110 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N[C@H](c1ccccc1)c1ccc(F)cc1 303297858 CBPMHKRPRYOAQT-OAQYLSRUSA-N 441.846 4.023 5 20 IIBD O=C(NCC1(c2ccc(Cl)cc2)CCC1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303509580 OJDCPRYPROIPFN-MRXNPFEDSA-N 447.944 4.152 5 20 IIBD CCOC(=O)c1cc(C(=O)N[C@@H](C)c2nc(-c3ccccc3)cs2)cc([N+](=O)[O-])c1 410292570 RQKMAQRHZVXNGQ-ZDUSSCGKSA-N 425.466 4.386 5 20 IIBD COc1cccc(Cc2nnc(NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)s2)c1 410301158 ROHPKACUERCDCI-GFCCVEGCSA-N 430.511 4.165 5 20 IIBD O=C(Nc1cnn(Cc2ccncc2)c1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 426130349 VXGPMOMMOWEDKM-UHFFFAOYSA-N 429.436 4.066 5 20 IIBD CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccc(Cl)cc1)c1cnccn1 426859489 QFEPNXIPXKCBRN-HXUWFJFHSA-N 446.294 4.352 5 20 IIBD C[C@@H](c1ccccc1)N1CCC(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 431447898 WGKRIDYESAUKGU-AWEZNQCLSA-N 432.318 4.313 5 20 IIBD COc1cc(CCNC(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)c([N+](=O)[O-])cc1OC 431863167 DCTPSZWPFZGXDC-HXUWFJFHSA-N 439.512 4.406 5 20 IIBD O=c1c2cnn(-c3ccccc3[N+](=O)[O-])c2ncn1CCc1cccc(Cl)c1Cl 432532285 RQHHDAGTVMGGFX-UHFFFAOYSA-N 430.251 4.040 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 433694133 GEQXSCKQJOLERE-VGSWGCGISA-N 436.512 4.135 5 20 IIBD O=C(Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 435373442 UVQHCWZMXRABDX-GOSISDBHSA-N 425.876 4.144 5 20 IIBD C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 436004266 JWMDKYGEQYBZRK-HUUCEWRRSA-N 427.495 4.057 5 20 IIBD O=C(NCc1cccc(CN2CCCC2)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436098098 CWWMJCZRBYBBCB-UHFFFAOYSA-N 447.485 4.485 5 20 IIBD COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437227312 LOTJYNTWZYIAFQ-UHFFFAOYSA-N 430.766 4.082 5 20 IIBD COc1cccc(O[C@@H](C)CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 444083359 PLTSNRPQACDMON-ZDUSSCGKSA-N 438.430 4.165 5 20 IIBD O=C(Nc1n[nH]c(Cc2cccc(F)c2)n1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444774807 KJIBFJVOPPJDGS-UHFFFAOYSA-N 449.392 4.060 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1ccccc1CN1CCc2ccccc21 445237153 IGZJILOHVONPPE-UHFFFAOYSA-N 442.479 4.356 5 20 IIBD CCc1nc(C)c([C@@H](C)N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)s1 447041732 ZAGBEZINJADNFO-SNVBAGLBSA-N 448.364 4.066 5 20 IIBD Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1NC(=O)Cn1cc([N+](=O)[O-])cn1 460329633 FWEBZPXULOKGBL-UHFFFAOYSA-N 436.447 4.475 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 460525330 RXBMUEHIJOPOEU-XZOQPEGZSA-N 436.556 4.081 5 20 IIBD O=c1c2ccccc2n(Cc2nc(-c3ccc(Br)cn3)no2)c2ccccc12 460855692 OKKVPCHUSBGGOU-UHFFFAOYSA-N 433.265 4.411 5 20 IIBD Cc1sc(CCNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)nc1-c1ccccc1 461470413 FZKSKUIHBYBBTE-UHFFFAOYSA-N 433.493 4.185 5 20 IIBD CO[C@@H](CNc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])c1ccccc1 462774663 CIHIFGCTZOGCFR-NRFANRHFSA-N 427.482 4.195 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2OC(F)F)c2ncccc12 463793372 KIBCQOKJZQFPLR-UHFFFAOYSA-N 429.788 4.199 5 20 IIBD O=C(Nc1ccc(Cc2nnc3n2CCCCC3)cc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 464285907 KRLGNEMEHPQQGG-UHFFFAOYSA-N 430.468 4.237 5 20 IIBD CSc1ccc(-c2csc(NC(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)n2)cc1 465122274 PELQDWWGFUYTIB-UHFFFAOYSA-N 443.506 4.393 5 20 IIBD O=C(C[C@H]1CCCCCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccco1 467073193 FMXQWEPBCZXVKT-CYBMUJFWSA-N 426.878 4.048 5 20 IIBD CCC(C)(C)OCc1ccccc1NC(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl 467875625 CTDQZNJJBFAWIM-UHFFFAOYSA-N 433.892 4.208 5 20 IIBD CC(C)(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 468086530 GSQAZIDEKPTTKK-UHFFFAOYSA-N 431.514 4.020 5 20 IIBD O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 469109887 SYPHRLSKOPNCEJ-UHFFFAOYSA-N 445.332 4.739 5 20 IIBD COc1ccc2c(c1)CN(C(=O)COc1ccc([N+](=O)[O-])c(OC)c1)[C@@H](c1ccccc1)C2 469455292 TWZKGFBKNPQKJR-HSZRJFAPSA-N 448.475 4.317 5 20 IIBD Cc1ccc(-c2cnc(NC(=O)CSc3ccc(C(N)=O)cc3[N+](=O)[O-])s2)c(C)c1 470343118 GACLAVMWAVVYEH-UHFFFAOYSA-N 442.522 4.165 5 20 IIBD CCCN1CCN(c2ccc(NC(=O)CCc3cccc([N+](=O)[O-])c3)c(OCC)c2)CC1 471162432 UFXFUKZQGBOUAQ-UHFFFAOYSA-N 440.544 4.097 5 20 IIBD O=C(c1cc(I)ccc1Cl)N1CCc2c1cccc2[N+](=O)[O-] 472239954 MWVFUAMFCKWYHU-UHFFFAOYSA-N 428.613 4.056 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2nc(-c3ccc(CC)cc3)no2)cc1OC 472377452 VGORPNAUAOBXCG-ZDUSSCGKSA-N 440.456 4.106 5 20 IIBD O=C(NCC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1sc2ccccc2c1Cl 474258163 ZIKIPRZQJDPBJK-UHFFFAOYSA-N 443.912 4.384 5 20 IIBD C[C@@H](NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)c1ncon1 479620174 OEOWVYAQYBWVAY-NWFCWYBLSA-N 435.465 4.396 5 20 IIBD O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1CC[C@@H](N2CCCC2=O)C1 481263972 JWAREIHJTXBWQZ-OAHLLOKOSA-N 445.928 4.236 5 20 IIBD C[C@@H]1CN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C[C@@H](C)S1=O 481767648 PCJLLCJFSIVLCO-CHWSQXEVSA-N 438.958 4.381 5 20 IIBD O=C(N[C@H](c1ccccc1)c1cccnc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 485794461 ZQJJANXPHNNZLN-LJQANCHMSA-N 431.370 4.450 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(OC)cc1C(F)(F)F 486021498 YQFCQJHOJICAQM-UHFFFAOYSA-N 444.431 4.291 5 20 IIBD Cc1ccc(-n2cnc3c2CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C3)cc1 486246085 UPSQHVGRILGXLK-UHFFFAOYSA-N 443.410 4.281 5 20 IIBD COC(=O)CCCN(Cc1ccccc1)C(=O)c1sc(Br)cc1[N+](=O)[O-] 486290057 GDVREYWJUULYEG-UHFFFAOYSA-N 441.303 4.014 5 20 IIBD Cc1cc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)n(-c2ccccn2)n1 486340380 WPBLCNAXVJUDHC-MRXNPFEDSA-N 443.467 4.304 5 20 IIBD COc1cc(N[C@H]2CCCN(C(=O)c3cccc(SC)c3[N+](=O)[O-])C2)cc(OC)c1 486726977 DLBGIRUFNZMOPV-AWEZNQCLSA-N 431.514 4.051 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCc3cc(Br)ccc3C2)c(C)c([N+](=O)[O-])c1 486852316 CXZOBKQHHDHIFS-UHFFFAOYSA-N 448.273 4.043 5 20 IIBD CN1CCN(c2cccc(Cl)c2CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 487168559 CHKKGRAGQCJGKT-UHFFFAOYSA-N 442.869 4.309 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(Br)c(F)c2)c([N+](=O)[O-])c1 488253920 LBOYJQQZLZGRMZ-UHFFFAOYSA-N 447.282 4.319 5 20 IIBD Cc1ccc([C@H](C)NC(=O)NCCc2nc(-c3cccc(Cl)c3)no2)cc1[N+](=O)[O-] 489616045 GSVMUGBFASEZBL-ZDUSSCGKSA-N 429.864 4.210 5 20 IIBD COC(=O)c1cc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)c(C)c([N+](=O)[O-])c1 489738365 CDWSGFOIZYPRKV-UHFFFAOYSA-N 432.860 4.030 5 20 IIBD Cc1c(NC(=O)[C@@H](C)Sc2ncnc3c2cnn3Cc2ccccc2)cccc1[N+](=O)[O-] 489792811 PTMSBCCEJIKFHF-OAHLLOKOSA-N 448.508 4.211 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2cccc(OCC(F)F)n2)cc1[N+](=O)[O-])c1ccccn1 490330827 OHKSVAFCDYPLOU-CYBMUJFWSA-N 443.410 4.454 5 20 IIBD CN1CC[C@@H]2CCN(C(=O)c3ccc(NCc4ccccc4Cl)c([N+](=O)[O-])c3)[C@@H]2C1 493439975 QFVOLLICMULBIE-QVKFZJNVSA-N 428.920 4.027 5 20 IIBD CCOc1ccc([C@H](NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c2ccccc2)cc1 494719284 RQIHEIQLMNBTCF-HSZRJFAPSA-N 449.511 4.326 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCCc3cn4c(n3)CCCC4)cc2[N+](=O)[O-])n1 495324403 RQMNMLJUTDSDPP-UHFFFAOYSA-N 443.554 4.016 5 20 IIBD COc1ccc(NC(=O)c2cccc(NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)c2)cn1 500187038 NAPMTMVWMNHIIY-UHFFFAOYSA-N 449.467 4.082 5 20 IIBD C[C@@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@H](C)c1ccccc1C(F)(F)F 500442776 SVLCSAUYVFYQPQ-QWHCGFSZSA-N 433.390 4.116 5 20 IIBD Cc1cccc(C)c1OCCCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 501651762 UXWIGZVELSXQLT-UHFFFAOYSA-N 426.391 4.352 5 20 IIBD COc1cc(C(=O)Nc2nc(-c3c[nH]c4ncccc34)c(C)s2)cc([N+](=O)[O-])c1OC 503917020 TXMSFNGNKXMTSY-UHFFFAOYSA-N 439.453 4.173 5 20 IIBD COC(=O)C[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(Br)cc1 503973965 JTLWPFDVKAKYDQ-MRXNPFEDSA-N 436.262 4.092 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 506475439 WUVSCENOYPCHAF-ZDUSSCGKSA-N 448.882 4.065 5 20 IIBD Cc1cc(OCC(=O)NCc2c(C)nn(Cc3ccccc3)c2C)c(Cl)cc1[N+](=O)[O-] 506565648 YCLFGOOEYXTXOS-UHFFFAOYSA-N 442.903 4.113 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccn3)c2)cc1[N+](=O)[O-] 508032151 JBOCJPSUMAQCPF-UHFFFAOYSA-N 446.872 4.005 5 20 IIBD CCN(CCc1ccccc1)C(=O)c1cc([N+](=O)[O-])cc(I)c1C 509085089 SUDDYWCDHOIGFK-UHFFFAOYSA-N 438.265 4.213 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCOc2c(-c3ccccc3)cccc21 509638585 RWMUKKKGZNMFEE-IBGZPJMESA-N 440.477 4.073 5 20 IIBD O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc(Oc2ccc(Cl)cc2Cl)c(F)c1 510227374 ICTMJMWDKDZBMA-UHFFFAOYSA-N 426.191 4.063 5 20 IIBD Cn1cc(CNCc2ccncc2OCc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 512507343 YIVNCWBOCPMZRA-UHFFFAOYSA-N 429.480 4.259 5 20 IIBD O=C(N[C@@H](CO)Cc1ccccc1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 513972757 JEZQYJNGBLEVBC-GOSISDBHSA-N 426.856 4.374 5 20 IIBD CCOc1cc(NC(=O)NC2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])cc1OCC 515105314 NPAKSNISZGGMMN-UHFFFAOYSA-N 442.516 4.178 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCCc2nc3ccccc3[nH]2)cc1[N+](=O)[O-])c1ccccn1 516169892 LWYRHQOKVMRYRT-OAHLLOKOSA-N 430.468 4.012 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCCCOCC(F)(F)F)cc2[N+](=O)[O-])n1 516513732 WTIDNFSCTXSNAQ-UHFFFAOYSA-N 435.449 4.210 5 20 IIBD O=C(NC1(Cc2ccc(F)cc2Cl)CCOCC1)c1c[nH]c2cccc([N+](=O)[O-])c12 517196567 ZAWAMRBPHUIULW-UHFFFAOYSA-N 431.851 4.390 5 20 IIBD O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 517477889 VQJGCKJCKUZDJS-ZDUSSCGKSA-N 444.285 4.360 5 20 IIBD C[C@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cc2c(cc1Br)OCCO2 521091588 TWAVPUSANDYSHR-VIFPVBQESA-N 441.665 4.273 5 20 IIBD CCCC[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 521835915 YOJGSUFOQZMTPA-NRFANRHFSA-N 442.491 4.261 5 20 IIBD CC(C)[C@@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 522559774 ZJWYENKPSQHKLP-LJQANCHMSA-N 437.418 4.247 5 20 IIBD CN(C)c1cccc(CNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c1 522878673 UWKIHZRJAJOQGG-UHFFFAOYSA-N 434.283 4.083 5 20 IIBD CN1CCCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c2cc(F)ccc21 524864069 YTQRTCLUBQGOBO-UHFFFAOYSA-N 427.354 4.162 5 20 IIBD CCOC(=O)[C@@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)c2ccccc21 527082884 IFCZYABPICEIFK-LJQANCHMSA-N 440.499 4.238 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]1Cn1cnc2ccccc21 534461055 ZJGWXBSVUCGHFG-MRXNPFEDSA-N 428.876 4.058 5 20 IIBD C[C@H](C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(C(=O)c2ccccc2)c1 534943139 NCMBPHUPMKKZIT-HNNXBMFYSA-N 441.447 4.353 5 20 IIBD CC(C)n1cnnc1[C@H]1CCCN(c2c([N+](=O)[O-])cnc3ccc(Br)cc23)C1 536987164 ZMEGUOGZLVKSHK-ZDUSSCGKSA-N 445.321 4.462 5 20 IIBD COc1cc(C(=O)N[C@@](C)(C(=O)O)C2CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 539604601 YWSRQZVHKNQZRY-HXUWFJFHSA-N 434.832 4.032 5 20 IIBD Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])C2)c1 540892355 HTGZXHSMVBAZNU-GOSISDBHSA-N 443.931 4.076 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 541132008 DOFVTZCKPCTAHI-LJQANCHMSA-N 437.418 4.406 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(-c3nc(C4CC4)no3)cc2C)c([N+](=O)[O-])cc1OC 541384917 MHMQHUOKSRFTHW-UHFFFAOYSA-N 438.440 4.490 5 20 IIBD C[C@H](C(=O)N1CCCN(C(=O)Nc2cccc(Cl)c2)CC1)c1ccc([N+](=O)[O-])cc1F 542620507 TYNRICLPJDMPIK-AWEZNQCLSA-N 448.882 4.257 5 20 IIBD CCN(CC)CCCC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 543023106 BTDQGUVDODNBQQ-UHFFFAOYSA-N 440.382 4.260 5 20 IIBD CCOc1cc(C(=O)N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OC 543494363 FUKMGDHFQOZZCU-LPHOPBHVSA-N 432.448 4.134 5 20 IIBD COc1cc(OC)c(-c2noc(-c3csc(-c4ccc([N+](=O)[O-])cc4)n3)n2)cc1OC 544903312 SBPURPHVXUZTPC-UHFFFAOYSA-N 440.437 4.461 5 20 IIBD CC(=O)N1CCc2c(NC(=O)c3ccc(N4C[C@@H](C)C[C@H](C)C4)c([N+](=O)[O-])c3)cccc21 545307015 JYKBDQWSVUJHEG-HOTGVXAUSA-N 436.512 4.238 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(c2nc([C@H]3CCC[C@H](C)C3)no2)CC1 545641924 DKOUYXXAWRJOGG-YOEHRIQHSA-N 448.545 4.148 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(=O)c2cc(F)ccc2F)CC1 549034509 UQICBMXVFSKKAG-UHFFFAOYSA-N 441.438 4.251 5 20 IIBD CN(Cc1ccc(F)c(Cl)c1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 549634322 TYFZJASQFZLBFP-OAHLLOKOSA-N 445.882 4.319 5 20 IIBD CC[C@H](C)c1nnc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1Cc1cccs1 555434903 ACPOOWZVEORTBC-INIZCTEOSA-N 426.546 4.136 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CNC3(Cc4ccc(F)cc4Cl)CCOCC3)n2)c1 555696697 LIUYTTJNIZVJBA-UHFFFAOYSA-N 446.866 4.319 5 20 IIBD CC(=O)N1CCC(N(Cc2cncs2)C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 561896126 JRDXEDFZBCBUGS-UHFFFAOYSA-N 444.557 4.002 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)c2cccs2)CC1 565439590 PPONEYGYEPRBJD-UHFFFAOYSA-N 433.555 4.147 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCn2c(C3CCCC3)nnc2[C@H]1C 567483533 HENWRTLSOZGRNL-GFCCVEGCSA-N 448.321 4.132 5 20 IIBD CSc1ccc(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)cc1[N+](=O)[O-] 575341786 FIIAVSBDURQZGW-GFCCVEGCSA-N 428.436 4.089 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(Oc2nc(C)cs2)c(F)c1 581147329 WGMCZJRXMLEBHY-AWEZNQCLSA-N 448.480 4.162 5 20 IIBD Cc1c(Cl)c(C(F)(F)F)nn1Cc1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 584023803 DQAWAQBCQSASHM-UHFFFAOYSA-N 440.769 4.275 5 20 IIBD C[C@@H]1CCCCN1CCOc1ccccc1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] 586865714 OKMZDCJWVMETCF-LJQANCHMSA-N 425.529 4.163 5 20 IIBD Cc1nc(-c2ccc(CCNC(=O)NCCNc3ccccc3[N+](=O)[O-])s2)cs1 588638478 PHLCJGIBKABRMM-UHFFFAOYSA-N 431.543 4.042 5 20 IIBD Cc1nc2ccccc2n1CCCNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 603452957 FNJMANHNWSFMGK-UHFFFAOYSA-N 435.528 4.309 5 20 IIBD CCCOc1cc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c([N+](=O)[O-])cc1OCCC 603570662 VMTGAVLRKQMUEZ-INIZCTEOSA-N 441.484 4.164 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)cc1[N+](=O)[O-] 603976754 UVUYFGUVGKYAPQ-UHFFFAOYSA-N 443.525 4.148 5 20 IIBD Cc1occc1CNC(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 604317720 XHDJSFWHOOHHIW-UHFFFAOYSA-N 440.525 4.252 5 20 IIBD COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)Sc1ncccc1[N+](=O)[O-] 604476748 CANHHKIZYSINLC-NSHDSACASA-N 445.419 4.153 5 20 IIBD COc1ccc(CC(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)cc1[N+](=O)[O-] 609012373 SVOCNFVRHXQSNY-UHFFFAOYSA-N 434.427 4.391 5 20 IIBD CC[C@@H](c1ccccc1)c1nnc(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)s1 609305622 VYDZBCWEFQOODW-INIZCTEOSA-N 426.454 4.027 5 20 IIBD COc1ccc(CC(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)cc1[N+](=O)[O-] 609309899 NSBHHOTWWKWCKF-GOSISDBHSA-N 443.258 4.192 5 20 IIBD Cc1cc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)c2ccc(Br)cc2n1 609456706 FOFKXPUVGYNUTL-UHFFFAOYSA-N 430.258 4.023 5 20 IIBD O=C(C[C@@H]1C=CCC1)Nc1ccccc1NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609762523 YBCWKQQGGTUDHX-CQSZACIVSA-N 432.436 4.396 5 20 IIBD COC(=O)[C@H](c1ccccc1)N(C)C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 609862408 ZFQJFKUAOHFUQS-KRWDZBQOSA-N 442.415 4.078 5 20 IIBD Cc1ccc(SCC(F)(F)F)c(NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c1 609914833 JSZAEABEGANCON-UHFFFAOYSA-N 443.403 4.337 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCc2c(Br)cccc2C1 610105610 PNGKIIIERXYBRQ-UHFFFAOYSA-N 432.318 4.448 5 20 IIBD COc1ccc(SCCC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1OC 610116754 JCKWUXQKDLSULX-UHFFFAOYSA-N 428.413 4.334 5 20 IIBD Cc1cc(NC(=O)c2cccc(C(=O)N(C)CC(C)(C)C)c2)n(-c2ccc([N+](=O)[O-])cc2)n1 610170177 FHYZJBNRGCCXPQ-UHFFFAOYSA-N 449.511 4.459 5 20 IIBD CC(C)(C)c1ccc([C@@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C(F)(F)F)cc1 610352357 AHHOHXSQMDLLCW-GOSISDBHSA-N 437.418 4.042 5 20 IIBD CN(C[C@H](O)C1CC1)C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 610670060 CLXCRXHRJDDBDK-KZFLWGQDSA-N 437.521 4.365 5 20 IIBD O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 614534037 GRFXCBFVPWFSQA-DEOSSOPVSA-N 445.500 4.482 5 20 IIBD O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCO[C@H](c2ccccc2Br)C1 725727603 COKHSQKQGDMJIE-INIZCTEOSA-N 425.666 4.224 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc(CC[C@H](O)c3ccccc3)cc2)cc([N+](=O)[O-])c1 727763273 KJJGIGZVOKTWJM-QFIPXVFZSA-N 434.448 4.300 5 20 IIBD Cc1ccsc1C(=O)Nc1ccc(OC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 729219481 WSPPSOIHJQMQPO-UHFFFAOYSA-N 440.433 4.207 5 20 IIBD O=C(OCc1cccc([N+](=O)[O-])c1)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl 730966738 HWDWGZWEXHCHTQ-UHFFFAOYSA-N 443.193 4.474 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cccn1C1CCN(C(=O)OC(C)(C)C)CC1 731470857 GJQMEHSWJLTKPA-UHFFFAOYSA-N 442.516 4.241 5 20 IIBD CCc1nnc([C@H](C)OC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)o1 732317705 AFHLUKZHDYMBSK-NSHDSACASA-N 442.394 4.080 5 20 IIBD C[C@H](OC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1nc2ccc(Cl)cc2[nH]1 732517102 GKVAKHHCAXJCNC-NSHDSACASA-N 444.831 4.117 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(N3CCC[C@@H]3C(=O)Nc3cc(Cl)cc(Cl)c3)cc2N1 733187032 NKMRBBRZAZWPIA-MRXNPFEDSA-N 449.294 4.394 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Br)N1CCC(C(F)(F)F)(C(F)(F)F)C1 735263131 MYRZWLONWMAXGO-UHFFFAOYSA-N 435.118 4.314 5 20 IIBD C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 738774975 GYUWTZJDUJQNCA-UGSOOPFHSA-N 436.386 4.141 5 20 IIBD CN(C(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H]1CCCc2ccccc21 739522320 BCSBCOFLXXOHPT-SFHVURJKSA-N 447.285 4.050 5 20 IIBD Cc1nc([N+](=O)[O-])c(Br)n1Cc1ncc(-c2cccc(Br)c2)o1 741852321 CHXBLZNRDYZIGY-UHFFFAOYSA-N 442.067 4.328 5 20 IIBD COc1cc(CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)ccc1OCC(F)(F)F 742393696 RYDPDVBZMYGXMC-UHFFFAOYSA-N 441.362 4.113 5 20 IIBD Cc1cc(N2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 742425389 DYJVYEOHFZFPBD-GOSISDBHSA-N 427.505 4.196 5 20 IIBD O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 746066094 SNESRKJHYGLMPH-ZDUSSCGKSA-N 435.839 4.375 5 20 IIBD C[C@H](Nc1ccc2c(c1)OCCCO2)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 747380386 LZEJNZBQCNRZFL-NSHDSACASA-N 425.363 4.214 5 20 IIBD O=C(NCC(=O)OCc1sc2ccccc2c1Cl)NCc1ccc([N+](=O)[O-])cc1 748384426 ZZFQTSJDLTWPKZ-UHFFFAOYSA-N 433.873 4.006 5 20 IIBD Cc1c(C(=O)Nc2ccccc2C(=O)N2CCC(C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748625426 FSIAZDOCSNAMTF-UHFFFAOYSA-N 440.456 4.244 5 20 IIBD CCOC(=O)c1cnn(-c2cccc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])c2)c1C 749905740 JDEYLPXPTCIDFH-UHFFFAOYSA-N 428.832 4.171 5 20 IIBD O=C(Nc1cccc(-c2cccs2)c1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 751200566 FXPRYWDMFFCGJK-AWEZNQCLSA-N 425.441 4.454 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)OCCC[C@@H]1CCCO1 756069618 FITLLCQTVIRXMJ-QFIPXVFZSA-N 435.480 4.492 5 20 IIBD O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1cc(F)cc(C(F)(F)F)c1 756257222 RQNVGBHKSMIKFY-UHFFFAOYSA-N 427.354 4.221 5 20 IIBD CC[C@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H](c1ccc(C)cc1)n1cncn1 756721186 OHLMZAONHHPOHT-VQTJNVASSA-N 442.907 4.016 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl 757102081 FIPAXVFSRKWACD-UHFFFAOYSA-N 427.892 4.109 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 759891236 STHTVEXKHHXGFB-MRXNPFEDSA-N 427.791 4.455 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 760084466 JEBQFSABKWHBDB-AWEZNQCLSA-N 426.212 4.103 5 20 IIBD O=C(CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)NCCCc1nc(O)n[nH]1 761094845 DKEQGPXYGCRXGT-UHFFFAOYSA-N 426.476 4.120 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 761890167 YJTMZEMBOKVLHG-UHFFFAOYSA-N 437.905 4.030 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)Nc1cccc(C)c1C 763809625 DVAZPJRJWGGSMF-HNNXBMFYSA-N 432.498 4.134 5 20 IIBD Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)o2)cc1C 763872374 XQGZWMTUGCIRSP-OAHLLOKOSA-N 433.424 4.365 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Oc1cc(F)cc([N+](=O)[O-])c1 764298341 CEZOTQXPZYGOMN-IBGZPJMESA-N 443.431 4.257 5 20 IIBD COc1ccc2cc([C@@H](C)OC(=O)c3ccc(N4C(=O)CCC4=O)c([N+](=O)[O-])c3)ccc2c1 766767993 GFMLAUYBHMLXTJ-CQSZACIVSA-N 448.431 4.328 5 20 IIBD CC[C@H](OC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1cccc(Cl)c1F 766949556 CVWIWFKJNIDJGL-INIZCTEOSA-N 434.807 4.349 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(NC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 770424092 JXDMXRSFHCPVRI-UHFFFAOYSA-N 426.433 4.140 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(C(=O)Oc2ccccc2)CC1 775526772 JFPYKBWHBUPZPX-UHFFFAOYSA-N 443.525 4.442 5 20 IIBD CC(=O)c1cc(S(=O)(=O)Oc2cc([N+](=O)[O-])c(Cl)cc2C)ccc1Br 775701120 BXACBUQKFMEOIP-UHFFFAOYSA-N 448.678 4.289 5 20 IIBD Cc1ccc(N2C[C@H](C(=O)O[C@H](c3cccnc3)c3ccccc3[N+](=O)[O-])CC2=O)cc1F 776137847 NWACYCSRXLQFAE-UZUQRXQVSA-N 449.438 4.123 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)[C@H](C)c2c(C)n[nH]c2C)c2ccccc2)c([N+](=O)[O-])c1 776292007 ZOXFJYCQTWQIKZ-SPLOXXLWSA-N 436.468 4.270 5 20 IIBD COC(=O)c1ccc([C@H](OC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C(F)(F)F)cc1 778049017 HGKPQYIHWKKPGW-AWEZNQCLSA-N 433.285 4.320 5 20 IIBD COc1ccc(C(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)nc1Br 781633072 PEBQJSDENADXII-UHFFFAOYSA-N 440.681 4.471 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(COC(=O)c2nnc(O)c3ccccc23)cc1OC 781657256 AKLGAYJFUAMJPT-CYBMUJFWSA-N 441.440 4.034 5 20 IIBD O=C(CCc1nc(O)c2c3c(sc2n1)CCC3)OCc1ccc([N+](=O)[O-])cc1Cl 782294356 PPMMKPRFIQQBQM-UHFFFAOYSA-N 433.873 4.123 5 20 IIBD CCN(C(=O)c1cc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)ccc1Cl)C(C)C 785483373 UQVFJHGTFQCCAX-UHFFFAOYSA-N 443.891 4.107 5 20 IIBD CC(C)n1cc(C(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)cn1 786711822 LUPMUGIZJJSGTJ-UHFFFAOYSA-N 428.832 4.497 5 20 IIBD CC(C)([C@H](OC(=O)[C@H]1CCC(=O)c2cccn21)c1ccc(Br)cc1)[N+](=O)[O-] 789471377 HXEZOGGYUDHKLM-NVXWUHKLSA-N 435.274 4.108 5 20 IIBD C[C@@H](OC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccnn1C 791923594 ISCZNTHCNNXGKT-MRXNPFEDSA-N 431.452 4.028 5 20 IIBD CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 793058041 RUWALFSQNAREOP-XMMPIXPASA-N 441.528 4.021 5 20 IIBD C[C@H](OC(=O)c1cc(Br)ncc1[N+](=O)[O-])c1ccc(Br)cc1 795485005 XUEKEZQFSDOVPI-QMMMGPOBSA-N 430.052 4.433 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)c1cc(C)n(CC(F)(F)F)c1C 795713407 YSEIPXPQXPVNNR-UHFFFAOYSA-N 428.363 4.014 5 20 IIBD CCc1nc2c(s1)[C@H](N(C)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)CCC2 795882404 ABEIJNXPWSAPNX-GFCCVEGCSA-N 433.914 4.104 5 20 IIBD C[C@@H](OC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C(=O)Nc1ncc(Cl)cc1Cl 796441010 IDVKWYLTKRQXGF-SNVBAGLBSA-N 426.256 4.145 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cc(S(=O)(=O)C2CCCC2)ccc1F 797419520 MXNSNYCSMOSVHO-UHFFFAOYSA-N 426.853 4.356 5 20 IIBD Cc1nn(C)c(Br)c1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 800892669 GZSWYVGMKJNBPV-UHFFFAOYSA-N 431.246 4.444 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(Cl)cc1OCC(F)F 807728777 NQSRLZBTLDSRSX-UHFFFAOYSA-N 429.763 4.372 5 20 IIBD CC(C)(C)OC(=O)NC1[C@H]2CCC[C@H]1CC(C(=O)N1CCc3cc([N+](=O)[O-])ccc31)C2 808051641 DLAAAHVCARJKKR-ZRDSACAASA-N 429.517 4.204 5 20 IIBD Cc1nn(Cc2ccc(C(=O)O[C@H](C)C(=O)C3(c4ccccc4)CC3)cc2)c(C)c1[N+](=O)[O-] 808497498 RJIQDKOWUHELHE-GOSISDBHSA-N 447.491 4.303 5 20 IIBD CC[C@@H](NC(=O)OC(C)(C)C)c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 809427757 ALWIJIXTHOVJDE-CYBMUJFWSA-N 441.282 4.307 5 20 IIBD CC(C)CCOC1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 809809280 VLJWAFKYTAHEGO-UHFFFAOYSA-N 425.334 4.117 5 20 IIBD CC(C)[C@@H](C(=O)OCc1cc(I)cc([N+](=O)[O-])c1)c1cccnc1 811036770 DUNLGGCTBRMKKT-MRXNPFEDSA-N 440.237 4.077 5 20 IIBD CC(C)(C)OC(=O)N(CC(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 811215924 BMSDSIQLSFXNQC-UHFFFAOYSA-N 433.486 4.161 5 20 IIBD C[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811220729 NVLDDFIMSIOAQN-AWEZNQCLSA-N 441.465 4.076 5 20 IIBD CC(C)Cn1ncc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c1C1CC1 813739126 OWAZLPASYGNCNC-UHFFFAOYSA-N 425.258 4.479 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3c(Br)cccc3[N+](=O)[O-])CC[C@@H]21 814177112 XWGZJADBMPLNFS-CJNGLKHVSA-N 440.338 4.189 5 20 IIBD COc1ccc(OC(=O)C2CCN(c3noc4ccc(Cl)cc34)CC2)cc1[N+](=O)[O-] 816045213 FQQPZFHMEFUNCA-UHFFFAOYSA-N 431.832 4.220 5 20 IIBD C[C@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1ccc(N2CCCOC2=O)cc1 817302314 YWFVYRKBHBQFNO-INIZCTEOSA-N 446.463 4.495 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)c1 857840382 PQMWYKRQIJJBTD-AWEZNQCLSA-N 429.498 4.101 5 20 IIBD CC(C)[C@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(=O)N[C@H]1CCOc2ccccc21 919212592 UZENKAYSULBNLQ-UWJYYQICSA-N 438.436 4.162 5 20 IIBD O=C(COC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 919367918 FOZHXMSLLDISHX-VHSXEESVSA-N 442.312 4.464 5 20 IIBD O=C(Oc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 921133466 IHPNZQKRCHBBHN-GFCCVEGCSA-N 442.777 4.221 5 20 IIBD C[C@H](Cc1nnc(COc2ccccc2[N+](=O)[O-])o1)C1CCN(C(=O)OC(C)(C)C)CC1 1118071188 QZHAYZWIWXPWCL-OAHLLOKOSA-N 446.504 4.383 5 20 IIBD Cc1cccc(N2N=C(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)CCC2=O)c1 1317712139 PBCYMWNHWHJOSC-UHFFFAOYSA-N 435.465 4.148 5 20 IIBD O=[N+]([O-])c1ccccc1N1CCN(c2nnc(-c3ccccc3)cc2C(F)(F)F)CC1 1318124250 VECDIAMILVAEOA-UHFFFAOYSA-N 429.402 4.397 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1nc(C2CC2)n(-c2ccccc2)n1 1320893248 IAXHASPPZKNYOW-UHFFFAOYSA-N 431.374 4.002 5 20 IIBD O=[N+]([O-])c1ccc(CN[C@@H](CCO)c2ccccc2Br)c(Br)c1 1338320929 UJNWYKCECMIEKD-INIZCTEOSA-N 444.123 4.333 5 20 IIBD O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1 1790186994 UMRCMRQQENVHQI-IXDOHACOSA-N 436.512 4.497 5 20 IIBD CC1=CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 1793079678 YPBDWHLDOCOTQF-QLIIJSOBSA-N 445.947 4.175 5 20 IIBD Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C3)cc1F 1799614759 SLFSHBXPLYCDTI-FCJRBGQTSA-N 437.471 4.008 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2Cl)[nH]n1)c1ccc([N+](=O)[O-])o1 1814311713 MMKSDGHZCXOEHQ-HNNXBMFYSA-N 443.847 4.184 5 20 IIBD Cc1cc(C)c(NC(=O)COC(=O)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)c1 9333149 UOAILVXCSOBXHC-UHFFFAOYSA-N 439.390 4.133 5 20 IIBD C[C@@H](Sc1nnc(NCCc2ccccc2)s1)C(=O)Nc1cccc([N+](=O)[O-])c1 10773097 XTNLBLBTLJFAAF-CYBMUJFWSA-N 429.527 4.220 5 20 IIBD CN(C(=O)COC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 11506676 UWNQXTWGQJQXOX-UHFFFAOYSA-N 438.411 4.133 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc([N+](=O)[O-])c1 15596778 GDFWGTCBOUEVNB-KRWDZBQOSA-N 425.466 4.359 5 20 IIBD O=[N+]([O-])c1cccc(OS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)c1 16091789 KMQHDEHJOFKDCB-UHFFFAOYSA-N 427.059 4.432 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCc1cccs1 23040916 XOUHBLOLZYXNCH-UHFFFAOYSA-N 433.511 4.120 5 20 IIBD CC(C)c1c(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cnn1-c1ccc(F)cc1 24570513 AYWNUWSTYYSCFK-UHFFFAOYSA-N 437.475 4.005 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(Cc2nc(-c3ccsc3)no2)CC1 24811981 AWXYEWPCHSGZQX-UHFFFAOYSA-N 439.419 4.047 5 20 IIBD C[C@H](OC(=O)CSc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(N2CCCCC2)cc1 25059838 YGRJWGOXFGUZDB-INIZCTEOSA-N 443.525 4.248 5 20 IIBD COc1cc(C(=O)N[C@@H](C)c2ccccc2OC(F)F)c([N+](=O)[O-])cc1OC(F)F 25299702 SESOHUGCXWUBIE-VIFPVBQESA-N 432.326 4.297 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NC[C@H]3COc4ccccc4C3)cc2[N+](=O)[O-])n1 28071608 MPZNGBOUZNEEAH-AWEZNQCLSA-N 441.534 4.492 5 20 IIBD Cc1cccc(NC(=O)[C@@H](C)OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1C 28774600 QEYSCNOMSGURLO-GOSISDBHSA-N 428.488 4.342 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)cc1OC 60721394 UWRWXCHCVIETPO-UHFFFAOYSA-N 447.875 4.144 5 20 IIBD COc1ccc(CCCNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1OC 64941803 FIGDSPCTCKAWKW-UHFFFAOYSA-N 427.482 4.098 5 20 IIBD O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 71947773 CRKUEYRPGOYOGX-UHFFFAOYSA-N 435.436 4.015 5 20 IIBD C[C@H](NC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1)c1cccc([N+](=O)[O-])c1 109813404 BUYJFRQIIUZJTC-SCLBCKFNSA-N 434.290 4.201 5 20 IIBD Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)CCOc1ccccc1[N+](=O)[O-] 117509656 KPXIFGTYPSOGLB-UHFFFAOYSA-N 435.484 4.296 5 20 IIBD O=[N+]([O-])c1ccc(NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1C(F)(F)F 301469975 IITUASRYAVQDJW-UHFFFAOYSA-N 443.447 4.020 5 20 IIBD O=[N+]([O-])c1cncc(Br)c1N[C@H]1CCN(c2ccccc2OC(F)F)C1 301861750 DXGHVJABYUHLOK-JTQLQIEISA-N 429.221 4.045 5 20 IIBD O=C(Nc1ccc(-c2nccs2)cc1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303458301 LDOQEQNLXPJQAZ-CQSZACIVSA-N 428.495 4.023 5 20 IIBD C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 303780104 CUHPUKILZCTKGO-NRFANRHFSA-N 439.559 4.278 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc([C@H]2C[C@H]3CC[C@H]2C3)cs1 434917773 VIYKZOUFOVTDCM-BQFCYCMXSA-N 442.541 4.033 5 20 IIBD CC(C)CO[C@@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)C1 435827086 NVWUVUMEQLQKIX-OAHLLOKOSA-N 449.554 4.020 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1 436605503 LDLJSTVCUCFCHS-OAQYLSRUSA-N 433.464 4.417 5 20 IIBD CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437201022 QJHSMRIGIYCKHL-UHFFFAOYSA-N 431.361 4.096 5 20 IIBD O=C(Nc1ccccc1)[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 438665523 MKVZUSOBJRZNCR-NRFANRHFSA-N 429.436 4.114 5 20 IIBD CC(C)OC(=O)[C@H](C)CN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 439650934 RDDTWHBANSJLLW-KUHUBIRLSA-N 433.892 4.105 5 20 IIBD COc1cc(C(=O)Nc2ccccc2-c2nncn2C(C)C)c([N+](=O)[O-])cc1OC(F)F 439666422 ZYPBJZNEELLISA-UHFFFAOYSA-N 447.398 4.297 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 439770019 WNBHDBVYNQOCMZ-QFIPXVFZSA-N 433.464 4.146 5 20 IIBD O=C(CN(Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1cc2c(cc1Cl)OCCCO2 441260898 MYCYBOLFYOTWOZ-UHFFFAOYSA-N 431.876 4.013 5 20 IIBD Cc1cc(N2CCNC2=O)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 441493268 SFEBNHGUWVQVJV-UHFFFAOYSA-N 445.479 4.297 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1CC[C@@H]([C@H]2CCOC2)C1 441657585 JPCQIFWLCHYYGS-WWMYMODYSA-N 429.904 4.286 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(OCC(F)(F)F)c(F)c1 443412282 ASKAGZDLVREQQK-UHFFFAOYSA-N 428.747 4.129 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C 443943838 FOSXWCHVGBLJTJ-SFHVURJKSA-N 426.473 4.164 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 444740673 XHOCLYSZDFRLSU-OAHLLOKOSA-N 447.438 4.304 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(-c3cc(C4CC4)nc4onc(CC(C)(C)C)c34)n2)n1C 445606852 GGXXQEOLNBYZRD-UHFFFAOYSA-N 437.460 4.356 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br 445714268 PFPUSQHROUGPKB-UHFFFAOYSA-N 443.301 4.019 5 20 IIBD C[C@@H](NC(=O)Cc1noc(Cc2cccc([N+](=O)[O-])c2)n1)c1ccc(Cl)cc1Cl 445741036 KYDUCYSBAYAMRW-LLVKDONJSA-N 435.267 4.295 5 20 IIBD COc1cc(Cc2noc(-c3ccc(Br)s3)n2)c([N+](=O)[O-])c(OC)c1 445817043 DFORQVQTOVCPJV-UHFFFAOYSA-N 426.248 4.077 5 20 IIBD O=C(CCCNC(=O)c1ccccc1)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] 446424450 DGECTBMAAMWSKV-UHFFFAOYSA-N 433.464 4.323 5 20 IIBD Cn1nc(C(C)(C)C)cc1NC(=O)CSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 447026700 JAMBEARKOUVKKM-UHFFFAOYSA-N 429.502 4.153 5 20 IIBD CCC[C@H](C)N(C(=O)c1cc([N+](=O)[O-])ccc1OC)c1nc(C)c(C(=O)OCC)s1 460115088 MTWWABOBGBMQKW-LBPRGKRZSA-N 435.502 4.380 5 20 IIBD CCc1cc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)nc(C)n1 460643338 OYWIMQKOPVGBRJ-UHFFFAOYSA-N 442.479 4.290 5 20 IIBD Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 461382312 BDLDLMQNTVZMOB-UHFFFAOYSA-N 431.420 4.340 5 20 IIBD CCN(C(=O)Cc1ccc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])cc1)c1ccccc1 463275469 LDPQKRORJSAXBD-UHFFFAOYSA-N 446.507 4.265 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2cc(-c3ccncc3)nn2C)cc1[N+](=O)[O-])c1ccccn1 463890182 BZLSEFWLAKQSBV-HNNXBMFYSA-N 443.467 4.211 5 20 IIBD C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccc(-c2ccncc2)cc1 464201510 XBHSBOPLUSRYII-OAHLLOKOSA-N 434.477 4.245 5 20 IIBD COC(=O)C(C)(C)N(Cc1ccccc1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 464498938 KRMOITOKHTYZJI-UHFFFAOYSA-N 439.493 4.312 5 20 IIBD CC(=O)c1cccc(OCCCC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 464635459 VKFHIGGIIDXXRU-UHFFFAOYSA-N 426.469 4.026 5 20 IIBD CSc1cnn(-c2ccccc2)c1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 465617755 CVJGBAGJNXPIMC-UHFFFAOYSA-N 437.525 4.358 5 20 IIBD CCn1c(SCC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)nnc1-c1ccccc1C 466301626 ZFOCIYHEQWYGMP-UHFFFAOYSA-N 445.932 4.244 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N(Cc1cccnc1)c1ccc(Cl)cc1 466993802 RIKYFLRZAMFTFG-UHFFFAOYSA-N 439.855 4.190 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCSC3(CCOCC3)C2)c([N+](=O)[O-])c1 473186529 BYGJSWOQAJCBQL-NRFANRHFSA-N 441.553 4.181 5 20 IIBD CCO[C@@H](C)c1nc(CN2CCN(C(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)cs1 473893023 ZDBARFTVTKYAGA-INIZCTEOSA-N 446.573 4.230 5 20 IIBD Cc1nc(-c2ccc([C@H](C)Nc3ccc(S(=O)(=O)N(C)C)cc3[N+](=O)[O-])cc2)cs1 477011479 LHYVEFPOMGNUFI-ZDUSSCGKSA-N 446.554 4.450 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCc2ccc(F)cc21 477493957 UFUIIGAPFUKOBG-SFHVURJKSA-N 432.473 4.197 5 20 IIBD COc1cc(C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3F)cs2)cc([N+](=O)[O-])c1C 477659134 ARTSEHRYRFKVBV-UHFFFAOYSA-N 444.444 4.385 5 20 IIBD CC(C)CCSc1ccc(C(=O)N(C)[C@H](CC(N)=O)c2ccccc2)cc1[N+](=O)[O-] 478196459 UWSPUVSKTGOYCF-GOSISDBHSA-N 429.542 4.422 5 20 IIBD CCCNc1ccc(Cl)cc1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 479722877 YDYSNULVNMTEEG-UHFFFAOYSA-N 432.864 4.397 5 20 IIBD COc1cc(C(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc([N+](=O)[O-])c1C 480030386 PUEAAFDOZXEODE-HNNXBMFYSA-N 440.431 4.121 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 482587100 SXLNNWCGDXTNHV-UHFFFAOYSA-N 428.876 4.259 5 20 IIBD CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 486274947 ILEDPPPVLGMYSN-CQSZACIVSA-N 432.908 4.275 5 20 IIBD O=C(CNc1cc([N+](=O)[O-])ccc1OC(F)F)N(Cc1ccccc1)CC(F)(F)F 486452933 SQGXMWHNDNVHMB-UHFFFAOYSA-N 433.333 4.199 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@@H](C)[C@H](OC)c2ccccc2Cl)c(C)c([N+](=O)[O-])c1 486884287 UHYIUQZVEKWDRR-SGTLLEGYSA-N 435.864 4.241 5 20 IIBD CN(C)C(=O)c1cccc(CNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 486968424 JFPQFIINZVXEQW-UHFFFAOYSA-N 435.505 4.378 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccnc(N2CCCCCC2)c1 487091921 IUCRDKPLVQFQEF-UHFFFAOYSA-N 444.557 4.039 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 488086967 FIIXJENHQVEZGD-KDOFPFPSSA-N 445.903 4.047 5 20 IIBD CSc1nnc(CCCNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1C1CCCC1 489200920 FYHDZQGJPIORSM-HNNXBMFYSA-N 446.577 4.325 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC[C@@H](c1ccco1)N1CCCCC1 492088825 XEKNKKFOMXEXFX-KRWDZBQOSA-N 440.422 4.233 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1C 497562302 YGXQXSAPEQXOAE-UHFFFAOYSA-N 428.495 4.389 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1ccc(NC(=O)c2ccco2)c(C)c1 498104612 ZBOUSQMJMZFSGY-CQSZACIVSA-N 438.440 4.196 5 20 IIBD CCOC(=O)[C@@H](Cc1ccccc1Cl)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 500870878 XCUMEMILPQWYBK-MRXNPFEDSA-N 444.793 4.171 5 20 IIBD COc1cccc(-n2nc(C)c([C@@H]3COCCN3Cc3ccc(C)c([N+](=O)[O-])c3)c2C)c1 501775606 WRGIAVOGEVWDRF-QHCPKHFHSA-N 436.512 4.288 5 20 IIBD CCOc1ccc(Oc2ccccc2NC(=O)C(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 506351399 ZJYKNTGUESSZFH-UHFFFAOYSA-N 435.436 4.041 5 20 IIBD COCCOc1ccc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 507065706 UHAGQUXBRWLAMH-INIZCTEOSA-N 436.468 4.440 5 20 IIBD O=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)NCc1ccccc1[N+](=O)[O-] 508471865 NRJOLBWBXUBSAW-UHFFFAOYSA-N 429.432 4.452 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1ccc2ncsc2c1 509595309 XYHXHLQSPYHRHI-UHFFFAOYSA-N 439.234 4.370 5 20 IIBD C[C@H](NC(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 509976665 IBODMSWRLQLEQJ-ZDUSSCGKSA-N 438.406 4.333 5 20 IIBD C[C@H](N[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc2n[nH]cc2c1 513423885 AZMPEXAXTYXYGX-QWHCGFSZSA-N 436.497 4.272 5 20 IIBD Cc1ncc(-c2ccc(NS(=O)(=O)c3cc(Br)cc([N+](=O)[O-])c3)cc2)o1 518190678 UZIZTBDPDRMDOE-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD O=C(Nc1cccc(N2C(=O)CNC2=O)c1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 518212634 GFSNSHILIRUVAM-UHFFFAOYSA-N 448.460 4.055 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1 519809943 NRTDXJJNQCPPHN-UHFFFAOYSA-N 444.900 4.011 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCCN(c2nccs2)CC1 520395419 UDCNQACHZVUFOL-UHFFFAOYSA-N 434.319 4.079 5 20 IIBD CC(C)C[C@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N[C@H](C)c1ccccc1 521379859 ACYGFKWPDMYBRZ-UYAOXDASSA-N 435.528 4.276 5 20 IIBD C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)COc1ccccc1[N+](=O)[O-] 521489704 TXPDESSABKXDRS-ZMZPIMSZSA-N 437.315 4.335 5 20 IIBD COc1ccc2[nH]cc(C3CCN(C(=O)NCCOc4ccc([N+](=O)[O-])cc4)CC3)c2c1 521867384 PMFZQMSBZLTVCU-UHFFFAOYSA-N 438.484 4.053 5 20 IIBD CC(C)c1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2I)cc1 522251065 VUADKJPSYPOCBZ-UHFFFAOYSA-N 438.265 4.295 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCOc2c(-c3ccccc3)cccc21 522486410 CMKKKAKZHPYDIG-HXUWFJFHSA-N 431.448 4.149 5 20 IIBD Cc1ccc(-c2nc(CCNC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])co2)cc1 522649114 VKHDUQQNUKQYPS-UHFFFAOYSA-N 429.860 4.339 5 20 IIBD CC1(C)[C@H]2OCC[C@@H]2[C@H]1N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 525459882 BBPMIZRDNGROCY-NMLACTOBSA-N 429.904 4.331 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CCC(Oc2ccccc2Cl)CC1 532804012 YQMCXXAKQYAYSW-UHFFFAOYSA-N 441.871 4.245 5 20 IIBD COc1cc(CN(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c(SC)cc1OC 532970361 IGLBPQKURGGLFM-UHFFFAOYSA-N 433.530 4.103 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(Oc2cc(C(C)C)nc(C(C)C)n2)c([N+](=O)[O-])c1 534143984 MCKKNGKKSCWMMI-UHFFFAOYSA-N 436.534 4.454 5 20 IIBD O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccsc1 535736514 PXPPROHQAXGPON-CQSZACIVSA-N 428.251 4.238 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCCC2)cc1C 536466916 KCBYGJCBCWLYLX-UHFFFAOYSA-N 443.525 4.411 5 20 IIBD CCN1CC[C@H](N(C)Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C[C@@H]1C 536660910 HXHWPOKRFUCUNY-AVRDEDQJSA-N 427.545 4.487 5 20 IIBD CCc1csc(-n2cc(C(=O)N(C)c3nc(-c4ccccc4[N+](=O)[O-])cs3)cn2)n1 537150711 NJICQUMUZIZGAK-UHFFFAOYSA-N 440.510 4.200 5 20 IIBD O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cc4ccccc4nc3N3CCCCC3)C2)nc1 537632997 DCFWQQUUWZFGJY-FQEVSTJZSA-N 432.528 4.215 5 20 IIBD COc1ccc(C(NC(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c2ccc(OC)cc2)cc1 538175156 KQHPAMYKCAPIQP-KRWDZBQOSA-N 449.507 4.168 5 20 IIBD CCOC(=O)c1c(-c2ccco2)csc1NC(=O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 539282503 XQVROEHWALGXAK-CYBMUJFWSA-N 443.481 4.382 5 20 IIBD COc1ccc(NC(=O)NCC2(c3cc(Cl)ccc3OC)CCOCC2)cc1[N+](=O)[O-] 542034391 AHIKXCXVERZLJR-UHFFFAOYSA-N 449.891 4.135 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccccc1-n1cc(Br)cn1 542225525 QVOSSTMZLYJBFT-UHFFFAOYSA-N 433.287 4.274 5 20 IIBD COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@H]2C 542860527 YKFNAYYQABVGPV-NEPJUHHUSA-N 436.411 4.361 5 20 IIBD Cc1cc(-c2noc([C@@H](C)NCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])n2)ccc1F 543544551 GJLAGESSLKPYIS-LLVKDONJSA-N 433.827 4.035 5 20 IIBD CCc1nnc(O)c(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)c1CC 544558764 OTBMLADFMSYJOH-UHFFFAOYSA-N 444.557 4.428 5 20 IIBD CCC[C@H](NC(=O)c1ccccc1)c1noc(-c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)n1 547197189 GPXPAHYVOOAEPR-SFHVURJKSA-N 432.440 4.102 5 20 IIBD Cn1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)c2ccc(Cl)cc2)n1 547233934 VJYXXVHWLSPFBW-QGZVFWFLSA-N 449.692 4.264 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CCNc1ncnc2sc([N+](=O)[O-])cc12 553378711 IJCWWOJZHIJQGN-UHFFFAOYSA-N 436.291 4.111 5 20 IIBD O=C(N[C@H]1CCCC[C@H]1Cc1ccccc1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 553444273 YOSBULPWPVEHDD-UGKGYDQZSA-N 435.524 4.004 5 20 IIBD Cc1cc(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc(Cl)c1Br 555888564 VQKUWZHVUKCNSE-GFCCVEGCSA-N 439.697 4.041 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 555927785 YDWPDXFEMJUEOO-SJORKVTESA-N 441.228 4.204 5 20 IIBD COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C 557179135 QGFPGFCHHOCXGQ-QAPCUYQASA-N 430.526 4.246 5 20 IIBD COc1cc(CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)ccc1OC1CCCC1 559468682 MQASCDDOBPGQDR-UHFFFAOYSA-N 425.485 4.193 5 20 IIBD O=C(N[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 569483716 BIWLUFGSAVJXQI-GOEBONIOSA-N 436.386 4.451 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 570432023 ZDOMLMICPSLYJP-OAHLLOKOSA-N 444.850 4.386 5 20 IIBD O=[N+]([O-])c1cncc(Br)c1N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 572036447 TYHRLFRPDBTTBQ-CQSZACIVSA-N 448.195 4.229 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 574077196 QBTGOHPCTOTVQR-GOSISDBHSA-N 447.369 4.255 5 20 IIBD CC(=O)c1c(C)nc(C)nc1SCc1cc(I)cc([N+](=O)[O-])c1 579889229 LNIHOQZCFGJFLL-UHFFFAOYSA-N 443.266 4.101 5 20 IIBD C[C@@H](C(=O)Nc1ccnn1Cc1ccccc1Br)c1cccc([N+](=O)[O-])c1 582337909 ZMLHVQKKWXSWOY-CYBMUJFWSA-N 429.274 4.344 5 20 IIBD CC(C)(C)CC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 590508209 QOUAULFNATXEDO-UHFFFAOYSA-N 433.530 4.340 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccc1Cl 600109364 ZZWAKSISJQSBRY-UHFFFAOYSA-N 449.872 4.309 5 20 IIBD Cc1cc(C(=O)NCC2(c3cccc(Br)c3)CCOCC2)ccc1[N+](=O)[O-] 603937456 WPEIEHRSPHLEJF-UHFFFAOYSA-N 433.302 4.144 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C 604447207 RNRIQWBZRPIPPX-SGTLLEGYSA-N 449.294 4.308 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3ccc(C)c(C(N)=O)c3)cc2[N+](=O)[O-])n1 608948104 VBEDGJZPZQYUDW-UHFFFAOYSA-N 428.495 4.171 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCc2[nH]c3ccc(Cl)cc3c2C1 609197067 KFCJTDGZVMCOHD-GFCCVEGCSA-N 428.876 4.123 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1nnc(Cc2ccccc2F)s1 609375805 IXMMOMSUPMASBE-JTQLQIEISA-N 436.852 4.236 5 20 IIBD O=C([C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 609841653 XCAOLQVAHGCJHV-CGTJXYLNSA-N 449.536 4.362 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CC[C@H](Nc2ccccc2)C1 609876165 XFUZPTUNJHXVMB-AWEZNQCLSA-N 446.294 4.414 5 20 IIBD Cn1c([C@@H]2CCCN2C(=O)Cn2c3ccccc3c(=O)c3ccccc32)nc2ccccc21 620862008 CBKYXVOUCNSXGZ-DEOSSOPVSA-N 436.515 4.405 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 672816434 ZYFZZMFVQOPUCV-OKILXGFUSA-N 428.332 4.494 5 20 IIBD COc1cc(C(=O)OCC(=O)Nc2ccc(N3CCc4ccccc43)cc2)ccc1[N+](=O)[O-] 725945039 ITIADURCZJAKTI-UHFFFAOYSA-N 447.447 4.093 5 20 IIBD CCC[C@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccccc1 725984206 FVFHXVXMHXIXPP-KRWDZBQOSA-N 435.274 4.172 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1)c1ccsc1 728885632 BSUHDQCDLOLQGR-UHFFFAOYSA-N 434.433 4.314 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCc1cccc(OCc2ccccn2)c1 731970707 DRBIVEYYNXFIAF-UHFFFAOYSA-N 449.435 4.177 5 20 IIBD CC(C)C[C@@H](C)Oc1cc(CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])ccn1 732048639 BTWGBONTRUVIML-CYBMUJFWSA-N 443.472 4.412 5 20 IIBD Cc1cc(C(=O)N(C)c2ccccc2C(=O)N(C)CCc2ccccc2)cc([N+](=O)[O-])c1 732095524 HEXOWMLCUDAFFG-UHFFFAOYSA-N 431.492 4.495 5 20 IIBD Cc1c(Cl)cccc1NC(=O)COC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 735150140 YMGRQFJYRGQFMH-UHFFFAOYSA-N 427.240 4.161 5 20 IIBD COc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2Br)cc1OC(F)F 739579591 JNGLDIUQIAZTHQ-UHFFFAOYSA-N 432.173 4.324 5 20 IIBD CC(C)[C@@H](NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1 740422353 IQNURNFLJSKYNS-GOSISDBHSA-N 435.274 4.028 5 20 IIBD CC(C)(C)OC(=O)N[C@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 740825633 OMMQAWMLWHDQLL-SFHVURJKSA-N 449.891 4.009 5 20 IIBD O=C(CN1CCc2ccccc21)Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1 741173652 RROKBMPLNZNHMC-UHFFFAOYSA-N 442.427 4.336 5 20 IIBD COc1ccc(OCCOC(=O)c2ccc(Br)cc2Cl)c([N+](=O)[O-])c1 744823143 YPWGAUQPYYPNCK-UHFFFAOYSA-N 430.638 4.255 5 20 IIBD C[C@H](OC(=O)c1ccccc1-c1nc(C(C)(C)C)no1)C(=O)Nc1cccc([N+](=O)[O-])c1 744933329 PFAUUBSZLHDROT-ZDUSSCGKSA-N 438.440 4.126 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(C)c(NC(=O)OC(C)(C)C)c1 745453854 GYFPHLSSLMPDAM-UHFFFAOYSA-N 443.456 4.354 5 20 IIBD Cc1nc(-c2cccc(C(=O)OCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c2)cs1 745674271 JTPNDONRRGWIER-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD Cc1c(C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 746574099 JAEJNFBMSVGZCJ-UHFFFAOYSA-N 426.360 4.177 5 20 IIBD Cc1c(C(=O)Nc2ccc(Sc3nccn3C)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748619727 XJTPVXPLKUFIJT-UHFFFAOYSA-N 427.442 4.257 5 20 IIBD CNC(=O)c1cc(Oc2cc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc2C)ccn1 748674992 LDVKJCJFBZGEIP-UHFFFAOYSA-N 440.843 4.356 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c(Cl)c1 748951443 RITBYIZYSKFJIV-GFCCVEGCSA-N 435.820 4.266 5 20 IIBD Cc1c(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 749131433 SPNUXHFSXRZTLB-UHFFFAOYSA-N 426.410 4.378 5 20 IIBD C[C@H](Sc1ccc(Br)cc1[N+](=O)[O-])C(=O)Nc1ccccc1[N+](=O)[O-] 749134481 IKIIWFPYIWSVEI-VIFPVBQESA-N 426.248 4.385 5 20 IIBD NC(=O)c1c(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])sc2c1CCCCC2 750818649 YYUABOTYHJZMCN-UHFFFAOYSA-N 438.303 4.039 5 20 IIBD Cc1nn(C)cc1[C@@H]1CCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 750905548 SDHGHLNEAGLTJB-ZDUSSCGKSA-N 427.686 4.030 5 20 IIBD O=C(OC1CCN(c2ccc(Cl)cn2)CC1)c1ccc(Br)cc1[N+](=O)[O-] 751169898 GMOYZCNCBRDWDD-UHFFFAOYSA-N 440.681 4.232 5 20 IIBD C/C(=C/C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccccc1OC(F)F 753544684 VIMAOXBRRYYQIU-NYHXXUGCSA-N 434.395 4.478 5 20 IIBD COC(=O)c1ccc([C@@H](OC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C(F)(F)F)cc1 754365083 JPMAZQQHFILGSE-MGPLVRAMSA-N 429.322 4.471 5 20 IIBD COc1coc(COC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)cc1=O 761021003 YEZKEBZQYGAUPF-UHFFFAOYSA-N 444.827 4.179 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@@H](c2nc(CCc3ccc(OC(F)F)cc3)no2)C1 762122557 NUINHNPVFKBQKU-QGZVFWFLSA-N 430.367 4.230 5 20 IIBD COC[C@H](C)n1c(C)cc(C(=O)COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c1C 762988287 IPBSCXDTQNGCSA-AWEZNQCLSA-N 434.464 4.063 5 20 IIBD COC(=O)c1ccc(Br)c(C)c1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 764275846 NPLFKOWETZKTNQ-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])Cn1nc(-c2ccco2)n(Cc2ccco2)c1=S 764882533 KGIHTARPVGBNAA-UHFFFAOYSA-N 425.470 4.313 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 767192106 ZILSIANBIQJXMD-INIZCTEOSA-N 449.429 4.080 5 20 IIBD Cc1ccc(OCc2nnc(S[C@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)o2)cc1 768291300 LDSPIQGVSDXLCX-GFCCVEGCSA-N 432.433 4.124 5 20 IIBD Cc1nnc([C@H]2Cc3ccccc3CN2Cc2ccc(Br)c([N+](=O)[O-])c2)o1 768984506 YDYHSRNBOLBIMY-GOSISDBHSA-N 429.274 4.348 5 20 IIBD C[C@H](N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc(N2CCCC2=O)c1 775278422 HSCJMLGXJDOOAS-UONOGXRCSA-N 430.892 4.053 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776137521 ADIQXDICXPOFPO-HXUWFJFHSA-N 425.422 4.323 5 20 IIBD CSc1cccc(C(=O)O[C@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)c1[N+](=O)[O-] 777073216 BSCOWFYTGZZTMN-CYBMUJFWSA-N 430.482 4.339 5 20 IIBD O=C(OCc1ccc(C(F)(F)C(F)(F)F)cc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 777798338 LAOLLOOUPUTBCM-UHFFFAOYSA-N 442.300 4.187 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)cc1Cl 777908747 KOEZDWQBQDBIAY-LLVKDONJSA-N 448.280 4.085 5 20 IIBD O=C(OCc1noc(-c2cccc(Cl)c2)n1)c1cc([N+](=O)[O-])ccc1OC(F)F 778892264 LDAIEEUMAKCSDZ-UHFFFAOYSA-N 425.731 4.257 5 20 IIBD Cc1c(C(=O)N2CCCCC[C@H]2c2noc(C(C)C)n2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 780064646 LNFSCDYFSBTPMX-HNNXBMFYSA-N 431.449 4.384 5 20 IIBD COc1cc(COC(=O)c2nc(C(C)C)ncc2Cl)c([N+](=O)[O-])cc1OCC(F)F 780065096 QQINMOAMPNHYKC-UHFFFAOYSA-N 445.806 4.171 5 20 IIBD CN(C(=O)COC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[C@H]1CCCc2ccccc21 781260448 PBUGISVXJCPUCN-DEOSSOPVSA-N 440.499 4.374 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1ccoc1Br 781925646 ZGWSGDUIDPIJPI-UHFFFAOYSA-N 435.234 4.051 5 20 IIBD COc1ccc(CCN(CC(C)(C)C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 783321757 SHSDJTGVIOHWDJ-UHFFFAOYSA-N 447.919 4.313 5 20 IIBD CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc([N+](=O)[O-])cc2Cl)NC(=S)N1 783941429 XUZYAJVIHZLFGR-INIZCTEOSA-N 437.308 4.333 5 20 IIBD O=C(NCC1CCN(c2ccc([N+](=O)[O-])cc2OC(F)F)CC1)OCc1ccccc1 784796729 CESPECYGEBDLAM-UHFFFAOYSA-N 435.427 4.339 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(C(=O)OC)cc1Br 785627558 GKIGASQTNKEIGB-CQSZACIVSA-N 449.301 4.029 5 20 IIBD CCOC1CC(CC(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)C1 789168682 JVXWHMBZTVFJNQ-UHFFFAOYSA-N 443.569 4.173 5 20 IIBD C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 790197333 UYPJMFDTPQMYLA-UONOGXRCSA-N 447.875 4.192 5 20 IIBD CSc1cccc(NC(=O)[C@@H](C)OC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c1 790744693 WOXCTJVZIUFOHU-SNVBAGLBSA-N 426.853 4.222 5 20 IIBD C[C@@H]1C[C@H](N(C)C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CCN1Cc1ccccc1 790758931 DVANEKCZMCROSW-CRAIPNDOSA-N 433.911 4.441 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cnc(Br)c(Br)c2)c1F 790847293 RXMULPHSKKTUPN-UHFFFAOYSA-N 433.031 4.215 5 20 IIBD CC(C)N(C(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccc(CC(=O)N(C)C)cc1 799450511 ZUBKJGCJTZXIFJ-UHFFFAOYSA-N 448.317 4.043 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])c(C)cc1Br 809099562 CIRWGSPFHJDOGE-UHFFFAOYSA-N 425.210 4.152 5 20 IIBD CC(C)(CO)[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1cccs1 809849681 FUTFWIGGVPDBDF-AWEZNQCLSA-N 439.342 4.001 5 20 IIBD CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1Cl 809913260 BSJXWHOCTNMHCQ-LBPRGKRZSA-N 447.797 4.171 5 20 IIBD CCOC(=O)c1cc(N2CCC([C@H](O)c3ccc(OCC)cc3)CC2)ccc1[N+](=O)[O-] 812483357 ZEQZVMLELNQVOJ-JOCHJYFZSA-N 428.485 4.120 5 20 IIBD CC(C)(NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1ccccc1[N+](=O)[O-] 817038595 VLRZALZJJUHOSF-UHFFFAOYSA-N 426.198 4.070 5 20 IIBD O=C(COC(=O)c1cnn(-c2ccccc2)c1C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl 913335951 QMNSRQXBAMTEFH-UHFFFAOYSA-N 440.843 4.107 5 20 IIBD CC(C)c1c(C(=O)O[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cnn1-c1ccccc1 913380621 YYSLRACQNNVNQX-CQSZACIVSA-N 440.431 4.227 5 20 IIBD CC(C)c1noc(CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 915670584 ATSDKXVKKRGOBP-UHFFFAOYSA-N 436.877 4.150 5 20 IIBD CCNC(=O)COc1ccc(NCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)cc1 916841796 CPEXTFDBMBWMBP-UHFFFAOYSA-N 434.496 4.490 5 20 IIBD COc1ccc(COC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c(Br)c1OC 917972553 FPQZIGUYXLRGGM-UHFFFAOYSA-N 435.230 4.213 5 20 IIBD COc1cc(COC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)cc(Cl)c1OC(F)F 918504880 ROBRGYXYLRKJHZ-UHFFFAOYSA-N 427.747 4.092 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)OCc2nn(-c3ccc(F)cc3)c3c2CCC3)c1 921089469 WOGQECSHNQMKPW-UHFFFAOYSA-N 439.443 4.229 5 20 IIBD CCc1cc(C(=O)O[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)nn1C 1116524842 OGLAMLGTFZZWPK-LJQANCHMSA-N 442.859 4.081 5 20 IIBD CN(c1ccccc1)S(=O)(=O)c1ccc(-c2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1 1117161138 QTHHQKNVOWCVRY-UHFFFAOYSA-N 436.449 4.137 5 20 IIBD COc1cc(Br)c(OC)c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 1317978147 MWLBHCSXZXUEMR-UHFFFAOYSA-N 437.290 4.425 5 20 IIBD COCc1cc(N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)nc(C(C)(C)C)n1 1326455656 NYLJCORGRYONOC-UHFFFAOYSA-N 435.322 4.154 5 20 IIBD Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(C)c([N+](=O)[O-])cn4)cc3)CCC2)nc1 1788765660 WSKFGHLLAMHZIV-UHFFFAOYSA-N 445.479 4.063 5 20 IIBD Cc1scc(C(=O)N2CCC3(CCCN(C(=O)c4ccc([N+](=O)[O-])o4)C3)CC2)c1C 1804645706 MNYMKWFERFSKNY-UHFFFAOYSA-N 431.514 4.025 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC2(CCCN(C(=O)c3ccc(Cl)cc3F)C2)CC1 1805064331 BKLXRFYLRUXXQL-UHFFFAOYSA-N 449.866 4.139 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc3occc3c2)[nH]n1)c1ccc([N+](=O)[O-])o1 1814310100 ZQZZKOXPEJTTMN-MRXNPFEDSA-N 449.423 4.277 5 20 IIBD COc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCC(C)C)[nH]n2)ccc1[N+](=O)[O-] 1823286654 DDZDYXOMOQFPDL-QGZVFWFLSA-N 443.504 4.069 5 20 IIBD O=C(c1ccc(F)cc1F)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823615035 LGVJZYDEBXKLFL-SFHVURJKSA-N 447.438 4.013 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1824347266 SZGJSFVPNFPYLW-KKSFZXQISA-N 433.524 4.403 5 20 IIBD O=C(Cc1ccc(Cl)cc1[N+](=O)[O-])N1CCC([C@H]2CCCCN2C(=O)CC2CC2)CC1 1826600881 XNMVNOFVIDJIJO-HXUWFJFHSA-N 447.963 4.211 5 20 IIBD CCC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)CC2)CCC1 1828477644 AMTSZAMLFSUAIL-IBGZPJMESA-N 443.544 4.114 5 20 IIBD COc1cc(C(=O)OCC(=O)Nc2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])cc1OC 9487304 SQYNICNKPFLTHA-UHFFFAOYSA-N 436.420 4.075 5 20 IIBD C[C@@H](Sc1nc(C2CC2)nn1-c1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 10201994 JBWDBCSUZNTXCA-GFCCVEGCSA-N 427.461 4.311 5 20 IIBD C[C@H](OC(=O)c1ccc(Cl)cc1N)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 10731489 QSGCCBZVZWMTHL-QMMMGPOBSA-N 431.754 4.033 5 20 IIBD O=C(COC(=O)COc1ccc(Cl)cc1Cl)Nc1cc(Cl)ccc1[N+](=O)[O-] 11024798 QFGJMHSNCQYFEB-UHFFFAOYSA-N 433.631 4.116 5 20 IIBD O=C(CSc1nn(-c2ccccc2)c(=S)s1)N1CCc2cc([N+](=O)[O-])ccc21 16804532 MKBJODOYYLFBEG-UHFFFAOYSA-N 430.536 4.253 5 20 IIBD COc1ccc(C(=O)OCC(=O)N[C@H](c2ccc(C)cc2)c2cccs2)cc1[N+](=O)[O-] 17529328 OFJIGPKZVNHYFG-OAQYLSRUSA-N 440.477 4.036 5 20 IIBD COCc1c(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)oc2ccccc12 21454109 RATCTIINAYZMEA-LLVKDONJSA-N 432.816 4.325 5 20 IIBD COc1ccc(-c2nnc(SCc3ccccc3[N+](=O)[O-])n2C[C@H]2CCCO2)cc1 25114145 SQPKFISHEFAYPB-GOSISDBHSA-N 426.498 4.333 5 20 IIBD CN(C)Cc1ccc(-c2ccccc2CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 25521576 FXPWLKJFLYONDU-UHFFFAOYSA-N 447.491 4.025 5 20 IIBD CS(=O)(=O)Nc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1Cl 32003027 YHCKSFAZUOVVBW-UHFFFAOYSA-N 425.875 4.087 5 20 IIBD CCN(CC)[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)Cc1ccccc1 37176155 WTMJJWWEIKODKS-JOCHJYFZSA-N 441.575 4.224 5 20 IIBD CC(C)c1ccc(CSc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 58693160 HRCWJXMWEIGBEI-UHFFFAOYSA-N 436.555 4.031 5 20 IIBD COCc1c(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)sc2cccc(F)c12 107712551 SBTFNVDUAHRPNU-UHFFFAOYSA-N 429.473 4.057 5 20 IIBD COc1ccc2oc([C@H](C)Nc3ccc(C(=O)N4CCOCC4)cc3[N+](=O)[O-])c(C)c2c1 301179236 HEHKBMSJDHYSQB-HNNXBMFYSA-N 439.468 4.304 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(NC2CCN(c3ccc(N(C)C)cc3)CC2)cc1Cl 301641154 BKWXADBOJULHKR-UHFFFAOYSA-N 432.908 4.182 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(C)c(F)c1 302912998 QJEMSBOSAQAGOZ-UHFFFAOYSA-N 445.472 4.464 5 20 IIBD COCCCN(Cc1ccncc1)C(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 303252408 BDFRIZNZQWLQPX-KDURUIRLSA-N 440.544 4.151 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCc1nc(-c2ccncc2)cs1 409732006 RTYLUJPNRQSVAM-UHFFFAOYSA-N 440.528 4.032 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccc(-c3cncnc3)cn2)cc1[N+](=O)[O-])c1ccccn1 410164713 DNMONZLUWGQUCM-OAHLLOKOSA-N 441.451 4.267 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccc3nc(N(C)C)[nH]c3c2)cc1[N+](=O)[O-])c1ccccn1 431654283 PKGUVHOXPSBRRD-AWEZNQCLSA-N 445.483 4.358 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)c1C 432973975 XPOMRXZZMGRAOD-UHFFFAOYSA-N 432.433 4.079 5 20 IIBD COC(=O)[C@H]1CCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)[C@H]1C(C)C 433168415 NCLLGALNRHFIGI-PMACEKPBSA-N 427.457 4.439 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N1CC(O)(C2CC2)C1 434278567 VHEPDZQPRAPVHV-WJDWOHSUSA-N 435.505 4.119 5 20 IIBD CC(C)(C)C(=O)Cn1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)nn1 435446237 ATBLOEMDYUVGBF-UHFFFAOYSA-N 445.526 4.267 5 20 IIBD O=C(Nc1ccc(-c2cnc(C3CC3)o2)cc1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 435610592 KWWWVHORGPDDFD-UHFFFAOYSA-N 446.419 4.033 5 20 IIBD CS[C@@H]1CCCCN(C(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)C1 435724035 ROBNUAKCHTUCHY-QGZVFWFLSA-N 441.553 4.250 5 20 IIBD Cc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)cc1[N+](=O)[O-] 437708102 WVGILWGGQVDQLC-NRFANRHFSA-N 432.480 4.299 5 20 IIBD O=C(Nc1ccsc1Cl)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 438563376 VCPRXRFQCHGYCF-UHFFFAOYSA-N 437.886 4.363 5 20 IIBD C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 440497033 QPIHIEQSWIGQIZ-NQIIRXRSSA-N 445.523 4.094 5 20 IIBD CCCN(C(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1)c1cccc([N+](=O)[O-])c1 441439029 KIMKZBYCCBRJEG-KRWDZBQOSA-N 445.541 4.215 5 20 IIBD CCN(Cc1ccc(CN(C)C)cc1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br 445792832 ZLPJTEGZYYOPAO-UHFFFAOYSA-N 434.334 4.010 5 20 IIBD O=C(Nc1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)c1ccc([N+](=O)[O-])cc1Cl 460337761 GKYXQADAHMXFLP-UHFFFAOYSA-N 439.786 4.440 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cn1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 460360022 CVIWHSUEPLLNNZ-MRXNPFEDSA-N 429.445 4.375 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@H]4CCC[C@H]43)cc2)cc1[N+](=O)[O-] 461489644 QOHUWMMUWZYCGP-OXQOHEQNSA-N 443.525 4.109 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])c1nnc(Cc2ccsc2)n1C[C@H]1CCCCO1 461828404 MMRYKGOGVIHUQV-LJQANCHMSA-N 441.557 4.087 5 20 IIBD CN(CC(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)c1ccccc1[N+](=O)[O-] 463737098 DGJVJIYNVSAYPI-HKBQPEDESA-N 437.521 4.119 5 20 IIBD Nc1nc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nc2sc3c(c12)CCCC3 464779599 UWRWGNSVXJTVHR-UHFFFAOYSA-N 439.541 4.104 5 20 IIBD O=C(N[C@@H](c1ccccc1)[C@@H]1CCCO1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465833829 LVNCEIGEYYZYNY-VXKWHMMOSA-N 425.485 4.068 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2ccnn2C)ccc1C 466543671 GLZOZAYWHRQKNT-UHFFFAOYSA-N 426.498 4.295 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3nnc(C(C)(C)C)s3)cc2[N+](=O)[O-])C1 467319984 RBFFIEJKBLCHKE-OKILXGFUSA-N 431.562 4.156 5 20 IIBD CCCNc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 468942578 MZOAPZLUKLWKKL-LBPRGKRZSA-N 438.406 4.193 5 20 IIBD CO[C@H](C)c1nc(CN2CCCN(C/C(C)=C/c3cccc([N+](=O)[O-])c3)CC2)cs1 470183611 RLUKKMSWVSIHFV-XCMFGDQWSA-N 430.574 4.370 5 20 IIBD Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 470902612 YDEIJIWJUMEYJN-UHFFFAOYSA-N 447.369 4.480 5 20 IIBD COc1ccc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(OCC2CC2)c1 472552932 CYXUMMQGMRAHGY-UHFFFAOYSA-N 426.469 4.076 5 20 IIBD COc1cc(C(=O)N2CCC[C@@](C)(O)CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 473588847 DDPMQKCVECVJJR-OAQYLSRUSA-N 434.876 4.426 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1 474857855 RYGFAAYLZSYFEB-LBPRGKRZSA-N 443.381 4.436 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@@H](CO)c1ccc(Br)cc1 475189486 JFSITCTZWQTDLL-ZDUSSCGKSA-N 448.195 4.231 5 20 IIBD Cc1nc2cc(F)c(F)cc2n1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 475783235 XUSDEAZJIOTUOD-UHFFFAOYSA-N 429.408 4.293 5 20 IIBD O=C(Nc1ccc(Br)cc1OC(F)(F)F)c1n[nH]c2ccc([N+](=O)[O-])cc12 476796135 LVFUZAZNLIUPKG-UHFFFAOYSA-N 445.151 4.385 5 20 IIBD O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@@H]21)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 478560160 NOBSWFYAAFAJKR-DOPJRALCSA-N 429.263 4.155 5 20 IIBD Cn1c(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)nnc1-c1cccc(Cl)c1 481386710 KFCMODRJLKYPKY-UHFFFAOYSA-N 428.861 4.386 5 20 IIBD C[C@@H]1CN(Cc2ccccc2NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C[C@@H](C)O1 482903469 XGQMLOVCCOCUHM-QZTJIDSGSA-N 438.528 4.401 5 20 IIBD C[C@H]1CN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c2ccccc2NC1=O 485531497 LCJXAFXLZOHCDK-INIZCTEOSA-N 431.448 4.409 5 20 IIBD COc1ccc(Br)cc1[C@H]1CCCN1C(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1 485645220 SZBUYQCIFURYQW-MRXNPFEDSA-N 449.257 4.041 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 485842438 IIMCHKXAZIDIBH-LJQANCHMSA-N 447.278 4.301 5 20 IIBD CCOC(=O)c1csc(N(C)C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])n1 485904280 DTSKCJQKLFTPJY-UHFFFAOYSA-N 441.465 4.084 5 20 IIBD O=C(Nc1cccc(CN2CCOCC2)c1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 486538453 LPKORNFHQSNFJH-UHFFFAOYSA-N 447.491 4.258 5 20 IIBD C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 486726547 XJAKSCXVZHZVAB-VOQZNFBZSA-N 435.524 4.038 5 20 IIBD O=C(Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 487784209 RPTADXSRWVWXIT-UHFFFAOYSA-N 445.859 4.292 5 20 IIBD COc1ccc(CS(=O)(=O)Cc2cc(F)c(C(F)(F)F)cc2F)cc1[N+](=O)[O-] 488841093 UCIAXGLYQSBKQT-UHFFFAOYSA-N 425.331 4.015 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@@H]3CCOC4(CCCCC4)C3)cc2)c(C)c1[N+](=O)[O-] 488953640 XQTHMFJCOAVDKM-HXUWFJFHSA-N 426.517 4.068 5 20 IIBD CC(C)CN(C(=O)Cc1ccc(C(N)=O)cc1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 489759965 BMVISMLUAYYKBD-UHFFFAOYSA-N 438.509 4.049 5 20 IIBD COc1ccc(CNC(=O)Nc2cc(-c3cccc(C(F)(F)F)c3)nn2C)cc1[N+](=O)[O-] 492723880 RIIKRBZZSHUSMI-UHFFFAOYSA-N 449.389 4.344 5 20 IIBD CC[C@H]1Oc2cc([C@@H](C)NC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)ccc2NC1=O 494465652 CCBMTYOOEZCRFO-JLTOFOAXSA-N 438.484 4.140 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1CSc1nnc(N2CCCCC2)n1C[C@@H]1CCCO1 501132294 AESMESCAXDROQA-INIZCTEOSA-N 437.953 4.301 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)nnc1-c1ccccc1OC 505228018 ZVXXJIIGCVCNDK-CQSZACIVSA-N 441.513 4.310 5 20 IIBD CCSCCCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 506850764 KZQJDPDQCRDOGT-UHFFFAOYSA-N 425.557 4.005 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NC[C@@H](C)COCc3ccccc3)cc2)c(C)c1[N+](=O)[O-] 507546610 HKMFWPKRCQQGMJ-QGZVFWFLSA-N 436.512 4.039 5 20 IIBD COc1ccc(CN(c2ccncc2)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 508354111 GZFPHUGAZZYRPC-UHFFFAOYSA-N 433.873 4.047 5 20 IIBD COCCC[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccc(Cl)cc1 509602811 RFXLHAZHJMJHJO-CQSZACIVSA-N 432.951 4.107 5 20 IIBD CC(C)[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc2c(c1)OCCO2 510863094 XWUVKXAXMJNFDB-SFHVURJKSA-N 437.399 4.486 5 20 IIBD CC(C)NS(=O)(=O)Cc1ccccc1CNc1ccc([N+](=O)[O-])cc1C(F)(F)F 511727597 QZPXMICJDCOVAD-UHFFFAOYSA-N 431.436 4.054 5 20 IIBD O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(COc2cccc(F)c2)c1 512498637 JMLHEPCGNLFFLN-UHFFFAOYSA-N 433.399 4.350 5 20 IIBD C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(Cc2ccc(OCc3ccc(F)cc3)cc2)C1=O 513334259 VVQVSRSGLONKLR-XMMPIXPASA-N 449.438 4.280 5 20 IIBD Cc1cc(C(=O)Cn2cc(Br)c([N+](=O)[O-])n2)c(C)n1CCc1ccc(F)cc1 515604749 MWGUDODXOIWTSL-UHFFFAOYSA-N 449.280 4.237 5 20 IIBD CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1)C(C)(C)C 517284782 JGGZOQJOCCRXRG-IBGZPJMESA-N 433.530 4.259 5 20 IIBD O=C(NC1CC1)c1ccc(NCC2CCN(Cc3ccccc3Cl)CC2)c([N+](=O)[O-])c1 518047477 RTTRREJNMYMYFB-UHFFFAOYSA-N 442.947 4.465 5 20 IIBD CN(Cc1c(Cl)cccc1Cl)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 518376447 ZUCWEZRIKNXGOO-AWEZNQCLSA-N 442.324 4.226 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCc2cc(OC(F)(F)F)ccc21 520709831 JLNIKXUNTHMXAB-UHFFFAOYSA-N 432.358 4.272 5 20 IIBD CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 521032701 HXPAKHPMLPESGD-UHFFFAOYSA-N 436.447 4.239 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3ccccc3SCCC(N)=O)cc2[N+](=O)[O-])CC1 521233438 LUDIQHSALZQGAV-UHFFFAOYSA-N 442.541 4.051 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 525520628 YTBUHZBCQCNMAM-KRWDZBQOSA-N 442.541 4.102 5 20 IIBD Cc1nc([C@H](C)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)oc1-c1ccc(Cl)cc1 532421439 UPAIZXWKBIIOSV-HNNXBMFYSA-N 427.892 4.490 5 20 IIBD COc1ccc(NC(=O)CCN2CCC[C@@H](c3nc4ccccc4s3)C2)c([N+](=O)[O-])c1 533334867 OMQRCBOYVLVTHF-OAHLLOKOSA-N 440.525 4.421 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 533417431 SIQNKCISESUZMK-QGZVFWFLSA-N 442.274 4.361 5 20 IIBD COc1ccc(CN[C@@H]2CN(C)Cc3ccccc32)cc1OCc1ccc([N+](=O)[O-])cc1 534531267 QOUMLYLAUZZEHD-HSZRJFAPSA-N 433.508 4.459 5 20 IIBD O=C([C@@H]1COc2ccc(Br)cc21)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 534737251 QRNBIDNVHAYSJK-CRAIPNDOSA-N 435.299 4.108 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC2(CCN(Cc3ccccc3)C2)CC1 535669336 LVWYORILZGHTSX-UHFFFAOYSA-N 432.524 4.064 5 20 IIBD CC(C)(C)c1ccc(Oc2ccc(CN3CCCS(=O)(=O)CC3)cc2[N+](=O)[O-])cc1 536671404 IYXIKXOYAVSTDY-UHFFFAOYSA-N 432.542 4.305 5 20 IIBD Cc1cccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)N2CCOCC2)c1 537096750 KAGUTMKSAKAFJM-NRFANRHFSA-N 443.569 4.207 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 538129775 NQZUNFQVXNSSOX-QGZVFWFLSA-N 432.480 4.445 5 20 IIBD O=C(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)N1CCC(c2nc3ccccc3s2)CC1 539758755 SFMMKPVOVWIQMM-UHFFFAOYSA-N 447.520 4.474 5 20 IIBD CCOc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3Sc3nc[nH]n3)sc2c1 540542826 DQFOBWLYSLGTHA-UHFFFAOYSA-N 442.482 4.125 5 20 IIBD CC[C@@](C)(CO)NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 541993947 YZXXBNVCVMTGRU-FPIZWNAKSA-N 425.510 4.412 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H](CO)Cc1c(F)cccc1Cl 542406568 XNDPTSMCQFQTPW-LLVKDONJSA-N 447.315 4.100 5 20 IIBD C[C@H](NC(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1)c1cccc([N+](=O)[O-])c1 542441832 IQKRAPVRTNNCSR-YJBOKZPZSA-N 426.521 4.411 5 20 IIBD Cc1nc([C@@H](N[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2)no1 543994456 OBKDBPVCCKBMCI-BLVKFPJESA-N 429.864 4.036 5 20 IIBD O=C(CSCc1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1)c1ccccc1 545740233 HNRJDROYHQPJOH-UHFFFAOYSA-N 448.298 4.447 5 20 IIBD O=[N+]([O-])c1cnn(CCc2nc(-c3ccc(Oc4ccccc4C(F)(F)F)nc3)no2)c1 546447380 BHRDRWBCBFQQIK-UHFFFAOYSA-N 446.345 4.290 5 20 IIBD C[C@H](Sc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C)C(=O)C12CC3CC(CC(C3)C1)C2 546525099 YATAVXGLKLJNOQ-URNNUDQISA-N 427.526 4.108 5 20 IIBD O=C(NCc1ccco1)c1cccc(-c2noc(/C=C/c3ccc(F)cc3[N+](=O)[O-])n2)c1 546975664 AWFQVMVYCXSKKC-VQHVLOKHSA-N 434.383 4.477 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)Cc1noc(Cc2ccc(Br)cc2)n1 548927838 GXNZJURFJHDQNC-UHFFFAOYSA-N 431.290 4.006 5 20 IIBD C[C@]1(c2ccccc2)CCCN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1 553180245 VJMRKDYKJNBWPI-DEOSSOPVSA-N 437.496 4.253 5 20 IIBD Cn1ccnc1Sc1ncc(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1Cl 553719891 NZEJQXVLQIAYJK-UHFFFAOYSA-N 431.905 4.193 5 20 IIBD O=C(Nc1ccccc1)[C@H]1CCc2ccccc2N1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 555066643 SHDJHQBJQMZGNC-OAQYLSRUSA-N 441.447 4.071 5 20 IIBD CO[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(C(=O)c1ccc(NCc4ccccc4Cl)c([N+](=O)[O-])c1)C[C@@H]3C2 557534488 XYVWTEVSHYFKBV-IDRUFVAWSA-N 441.915 4.356 5 20 IIBD Cc1ccc(S(=O)(=O)NC[C@H](NCc2ccccc2[N+](=O)[O-])c2ccccc2)c(C)c1 557546911 IFRCHYYHULLBBE-NRFANRHFSA-N 439.537 4.021 5 20 IIBD O=C(N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1(Cc2ccc(F)cc2)CCOCC1 560054759 LOARWIOZLSXSFW-UHFFFAOYSA-N 442.487 4.143 5 20 IIBD COc1cc(Cc2noc(C[C@@H](c3ccccc3)C(F)(F)F)n2)c([N+](=O)[O-])c(OC)c1 563593122 JGOROFSMXAGTIP-HNNXBMFYSA-N 437.374 4.474 5 20 IIBD COc1ccc([C@H]2CCCCCN2C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 567425119 XPMYXEXJNWIGHC-GOSISDBHSA-N 445.903 4.131 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2c2nc(Cc3cccc4cccnc34)no2)ccc1[N+](=O)[O-] 573165299 ZFCMCDLOVNMNMW-HXUWFJFHSA-N 443.463 4.403 5 20 IIBD COCCC[C@@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])c1ccc(Cl)cc1 582982838 ZRYRNINXTCSXAX-HNNXBMFYSA-N 426.922 4.274 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3nnc(C4CCOCC4)s3)cc2[N+](=O)[O-])C1 584073282 WZGHEUNCBOBRQU-KBPBESRZSA-N 445.545 4.075 5 20 IIBD COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1 584401353 RSMYLIAOUWKXHW-NSHDSACASA-N 435.274 4.270 5 20 IIBD CSc1ccc(-c2nsc(NC(=O)N3CC(Oc4ccc([N+](=O)[O-])cc4)C3)n2)cc1 589251479 UZVCWJNYNIOVOV-UHFFFAOYSA-N 443.510 4.130 5 20 IIBD O=C(c1ccccc1[N+](=O)[O-])N1CCN(C(=O)c2sc3cc(F)ccc3c2Cl)CC1 590530907 WHPFZSRESBNXKM-UHFFFAOYSA-N 447.875 4.200 5 20 IIBD Cc1cc(S(N)(=O)=O)cc(NCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)c1C 600849213 LIIYWGGIWXQHNU-UHFFFAOYSA-N 440.525 4.239 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 603565796 RYXHDNOAAMUXFP-INIZCTEOSA-N 438.267 4.154 5 20 IIBD Cc1ccccc1CN1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 603829810 LHYINNAIEDOUJA-UHFFFAOYSA-N 434.443 4.244 5 20 IIBD CN(c1ccccc1)c1ccc(CNCc2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] 604448228 HRLZNFUDHAMBOS-UHFFFAOYSA-N 425.510 4.056 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 604469349 MBCHIMYTHCWIAP-UHFFFAOYSA-N 434.452 4.094 5 20 IIBD Cc1ccc2nc([C@H]3CCCN(C(=O)c4cn(C)nc4-c4ccc([N+](=O)[O-])cc4)C3)[nH]c2c1 608986425 FBQNXDSKVNZRCU-KRWDZBQOSA-N 444.495 4.200 5 20 IIBD CC(C)[C@@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1cccc(C(F)(F)F)c1 609443708 CLHVMVSFALCHQZ-GOSISDBHSA-N 433.390 4.321 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2ccnc(O[C@@H](C)CC(C)C)c2)cc1SC 609528505 LQKBJDZBDXLYQP-AWEZNQCLSA-N 433.530 4.464 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CSCN1C(=O)C1CCC1 609755443 MCLIBYJKBFNQNS-IBGZPJMESA-N 427.482 4.027 5 20 IIBD CC(C)(C(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1)c1ccc([N+](=O)[O-])cc1 610043201 LFMZPWPVBZOZHJ-UHFFFAOYSA-N 438.528 4.326 5 20 IIBD COc1cc(C(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)cc([N+](=O)[O-])c1OC 610171630 OZGWAJWUVJXYDG-HNNXBMFYSA-N 437.452 4.077 5 20 IIBD COC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccccn1 610254594 ARJZJTIGPURVIV-IBGZPJMESA-N 441.827 4.080 5 20 IIBD O=C(c1cc(N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-])N1CCCC1 610587493 CUECOEKWQMXAPP-CHWSQXEVSA-N 425.329 4.008 5 20 IIBD O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 610959485 CMBXTWYYXNKLQN-NSHDSACASA-N 429.345 4.148 5 20 IIBD O=C1CCC(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3SC3CCCC3)cc2)=NN1 611211654 ZGGFPHZTINQJHZ-UHFFFAOYSA-N 438.509 4.496 5 20 IIBD CO[C@H]1CCCN(c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])CC1 611931410 RLEMMQZUYNKAMA-KRWDZBQOSA-N 433.530 4.018 5 20 IIBD CC[C@@H](C)n1ncc2c(C(=O)O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)cc(C)nc21 725956966 GJDBFKNRNJZUKZ-HIFRSBDPSA-N 439.472 4.111 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2nnc(C3CCCCC3)s2)ccc1[N+](=O)[O-] 726499775 KNKGQARHSCMSEC-QGZVFWFLSA-N 443.529 4.046 5 20 IIBD COc1cc(CCNC(=O)/C=C/c2cccc(OC3CCCC3)c2)c([N+](=O)[O-])cc1OC 727673267 YDGNFFIQLLYYMO-ZHACJKMWSA-N 440.496 4.306 5 20 IIBD Cc1nc(NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])sc1-c1ccccc1 731051510 POHRSQYIVDBDAK-UHFFFAOYSA-N 430.873 4.049 5 20 IIBD O=C(OCc1ccccc1[N+](=O)[O-])c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl 731099750 KVUQWZNPPOFKQJ-UHFFFAOYSA-N 443.193 4.474 5 20 IIBD CNC(=O)c1ccc(COC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)cc1 731375714 LFEOCXVXWAZXIO-UHFFFAOYSA-N 436.420 4.112 5 20 IIBD C[C@@H](NC(C)(C)CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])c1ccccc1 732034636 YOSGEKVPBNCMCD-CYBMUJFWSA-N 427.473 4.132 5 20 IIBD Cn1c(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)nc2cc(F)ccc21 732110417 YFFNFFCAWPCAFH-UHFFFAOYSA-N 433.443 4.163 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCc1cc2ccccc2nc1O 733424386 VDEXNVLYLSWPDU-UHFFFAOYSA-N 435.358 4.413 5 20 IIBD CC(C)N(Cc1ncc(-c2ccc3c(c2)OCO3)[nH]1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 733982960 YEZVAFIAYYBHMO-YHYXMXQVSA-N 434.452 4.164 5 20 IIBD CCOc1cc(C(=O)OC[C@@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC 734298503 DFQRBSDSLLJUGN-GOSISDBHSA-N 428.485 4.071 5 20 IIBD C[C@H](C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O)C(C)(C)C 734389762 WWFKQHDQTCIDEB-MKVLZVNKSA-N 439.921 4.083 5 20 IIBD Cc1c(C(=O)Nc2nccn2Cc2ccccc2Cl)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 734448099 JBSKCXDWKRXXBL-UHFFFAOYSA-N 429.820 4.270 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1nn(-c2ccc(F)cc2)cc1Br 735424641 DEMKISFITJYZCG-UHFFFAOYSA-N 441.163 4.213 5 20 IIBD O=[N+]([O-])c1ccc(/C(O)=C(/C(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)[n+]2cccc(O)c2Cl)cc1 735666835 PMJKMESLDSHXIK-DUVNUKRYSA-O 446.936 4.231 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCc1ccc2ccccc2c1 740203912 HOWYATTYBFFBHP-OAQYLSRUSA-N 438.505 4.343 5 20 IIBD CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)Cn1cc([N+](=O)[O-])nc1C 743607019 YJFQENIJGZJCIC-UHFFFAOYSA-N 448.888 4.297 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cccc2c3c([nH]c12)CCCC3 744662046 OOFXVYQFCVVRAG-ZDUSSCGKSA-N 437.452 4.148 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)O[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1[N+](=O)[O-] 746068629 MSEWPHOZAQIFHI-SNVBAGLBSA-N 432.776 4.433 5 20 IIBD Cc1cc(C(F)(F)F)c(N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)nn1 750453196 IJVIJJJYLZYLNW-UHFFFAOYSA-N 435.328 4.057 5 20 IIBD CSc1cc2c(cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)OCCO2 751199698 QPTLFFJYNYQNRW-UHFFFAOYSA-N 429.498 4.331 5 20 IIBD O=C(COC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1cccc([N+](=O)[O-])c1 753519986 AKCBOOAHPPJJQQ-JOCHJYFZSA-N 431.400 4.089 5 20 IIBD CC[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)Oc1ccccc1C 755019652 ZVSRPMNONUPXIC-ZDUSSCGKSA-N 425.254 4.392 5 20 IIBD CN(Cc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 755024927 RGIJMVOAZHNUSG-INIZCTEOSA-N 433.306 4.096 5 20 IIBD Cc1cc(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)cc([N+](=O)[O-])c1F 759771958 VLBZFOXJAAFVKE-UHFFFAOYSA-N 435.502 4.220 5 20 IIBD C[C@@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc12)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 759800396 KOAPMEDJAWLMSY-ACJLOTCBSA-N 439.472 4.312 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1c[nH]nc1-c1c(F)cccc1F 760538948 WVFVYPUGKNUYES-UHFFFAOYSA-N 426.335 4.275 5 20 IIBD CCC[C@@H](NC(=O)c1ccccc1)c1noc([C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 762306885 FWQCOYMMLYMGEF-APWZRJJASA-N 435.440 4.115 5 20 IIBD C[C@@H](C(=O)N1CCC(=C2C(=O)Nc3cc(Cl)ccc32)CC1)c1cccc([N+](=O)[O-])c1 762866427 UCGFLTFWFPCIQW-CYBMUJFWSA-N 425.872 4.380 5 20 IIBD COc1cc(-c2noc(COC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)n2)ccc1OC(F)F 763405972 NNONYYHDBOMNKR-NSHDSACASA-N 449.366 4.102 5 20 IIBD C[C@@H](C(=O)OCC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1cccc([N+](=O)[O-])c1 763410375 WVMZFNXPOFJZHW-MRXNPFEDSA-N 447.447 4.133 5 20 IIBD C[C@H](OC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 766774505 CHTLMXVCRJYNPS-XXILOJSOSA-N 442.777 4.339 5 20 IIBD CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2cccc(-c3cccnc3)c2)NC(=S)N1 768487445 WZUOIAOXIZLHQH-NRFANRHFSA-N 445.504 4.088 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)cs1 768847133 CWUBLKQQHLJOHN-UHFFFAOYSA-N 433.298 4.009 5 20 IIBD O=C(NC1CCCCC1)c1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)ccc1Cl 768882951 REOWXTHIIFVBHI-UHFFFAOYSA-N 443.934 4.173 5 20 IIBD COC(=O)CC(C)(C)C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 769136381 REZRLMAUEQISJD-GOSISDBHSA-N 448.859 4.061 5 20 IIBD COc1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1-n1cnnn1 770590086 UZTOSULJHGQTEG-UHFFFAOYSA-N 426.820 4.105 5 20 IIBD CC[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H](O)c1c(F)cccc1F 771702454 UESOOTIFDRXRKJ-CRAIPNDOSA-N 433.436 4.239 5 20 IIBD CN(CCC1CCN(c2ccncc2)CC1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 774638469 HKPSXVIZVZZJHG-UHFFFAOYSA-N 428.924 4.189 5 20 IIBD CN(C(=O)c1cc(Cl)c2c(c1)OCCO2)c1nc(-c2ccccc2[N+](=O)[O-])cs1 775495389 ITTVVDSMEBDCIQ-UHFFFAOYSA-N 431.857 4.420 5 20 IIBD CO[C@@H]1CCC[C@@H]1CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 775593151 NVPSHMLUAUZJIG-BFUOFWGJSA-N 431.876 4.045 5 20 IIBD CC(C)(CC(=O)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C 776132219 GRLYEHQKNKYBBF-IBGZPJMESA-N 429.473 4.316 5 20 IIBD COc1ccc(C(=O)COC(=O)c2cccc(SC)c2[N+](=O)[O-])cc1Br 777074380 XNNQILXMCMOHOZ-UHFFFAOYSA-N 440.271 4.128 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 777930057 GIAYQYTWBRQXHL-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD COc1cc(COC(=O)/C=C/c2ccc3[nH]ccc3c2)c([N+](=O)[O-])cc1OCC(F)F 780079526 CTPJKEPCKYBUPF-HWKANZROSA-N 432.379 4.485 5 20 IIBD O=C(NCCOC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)c1ccc([N+](=O)[O-])cc1Cl 786356695 VOLFJLWAOKOHKB-VXGBXAGGSA-N 429.281 4.040 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CC[C@@]3(C)[C@H](C2)C3(Cl)Cl)c1=S 789488902 UFIQXDXJRNYTAZ-YOEHRIQHSA-N 442.372 4.482 5 20 IIBD O=C(c1cc2ccccc2s1)N1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 790220003 GSXVMVFTTFJOBO-UHFFFAOYSA-N 429.885 4.061 5 20 IIBD CC(C)(C(=O)OCC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccccc1[N+](=O)[O-] 796445671 PDLORORTSFIDFE-UHFFFAOYSA-N 440.452 4.096 5 20 IIBD O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1cc(S(=O)(=O)C2CCCC2)ccc1F 797463094 CMXIYPDLQNPFKV-UHFFFAOYSA-N 443.456 4.251 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn(-c2ccccc2)c1Br 798542247 MDFPDOGGSZKJPH-UHFFFAOYSA-N 431.246 4.194 5 20 IIBD O=C(OC1CCC(N2CCCC2=O)CC1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 799675124 FNWUXANUIAUHDA-UHFFFAOYSA-N 438.480 4.264 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)OCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)c1 800979068 UHWSQVZTZVCSSI-UHFFFAOYSA-N 449.428 4.096 5 20 IIBD Cc1c(C(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 801043048 AKNRZNGZUXMGQN-HXUWFJFHSA-N 440.500 4.150 5 20 IIBD C[C@H](NC(=O)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2)c1ccc(F)c2ccccc12 809306390 QEFOJIICBYAIRO-NSHDSACASA-N 441.371 4.058 5 20 IIBD CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810398118 GVOBQANTOGASOK-MRXNPFEDSA-N 448.317 4.084 5 20 IIBD CN(C[C@@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1)C(=O)OC(C)(C)C 813440572 MVVBREGRKASJIS-NSHDSACASA-N 432.304 4.231 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1cc(N2CCNC2=O)ccc1Cl 815213371 DCRABUVLSFLYOB-UHFFFAOYSA-N 443.765 4.154 5 20 IIBD O=C(Nc1ccccc1[C@@H](O)c1ccccn1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 819596230 SKEKYEWPBOHMOJ-HXUWFJFHSA-N 432.461 4.447 5 20 IIBD COC(=O)c1cccc(C(=O)Oc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)c1 915812723 QYJHZCXDEXNBCW-UHFFFAOYSA-N 445.383 4.374 5 20 IIBD O=C(OCc1nc(-c2cc(Br)cs2)no1)c1c[nH]c2cc([N+](=O)[O-])ccc12 917966258 FXKPPOVULANQBA-UHFFFAOYSA-N 449.242 4.307 5 20 IIBD COc1ccc(C(=O)Nc2cccc(/C=C3/N=C(c4cccc([N+](=O)[O-])c4)OC3=O)c2)cc1 918062243 KQIMXVJYZMTSHS-FYJGNVAPSA-N 443.415 4.200 5 20 IIBD COc1cc([C@@H](C)NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])ccc1OCCC(C)C 918193446 GDXLOYPMBUUORD-CQSZACIVSA-N 440.493 4.207 5 20 IIBD O=C(OCc1cc(F)ccc1[N+](=O)[O-])C1CCN(c2ccc(C(F)(F)F)cn2)CC1 918891081 CHXNWRMBVDZXQH-UHFFFAOYSA-N 427.354 4.108 5 20 IIBD Cc1c(C(=O)O[C@H](C(=O)Nc2ccccc2)c2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 919223458 AUYQTEIZIYQLCY-FQEVSTJZSA-N 435.392 4.348 5 20 IIBD COC(=O)c1sc2cccc(F)c2c1COC(=O)CCOc1ccccc1[N+](=O)[O-] 919491414 WGRVMHALHYEWMX-UHFFFAOYSA-N 433.413 4.248 5 20 IIBD O=C(NCCOC(=O)C1(c2cccc(Cl)c2)CCC1)c1ccc([N+](=O)[O-])cc1Cl 920148018 JKENSDQNAHFMEY-UHFFFAOYSA-N 437.279 4.297 5 20 IIBD COc1cc(C(=O)O[C@@H](C(C)=O)c2ccccc2)c([N+](=O)[O-])cc1OCc1cscn1 920650868 BTAGORIHYXLYPG-FQEVSTJZSA-N 442.449 4.126 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Nc2cccc(Br)c2)CC1 1116862147 ITGAJMDBWVBAME-UHFFFAOYSA-N 433.306 4.116 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1-c1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1 1117160716 HDLOCQHPBMLRRL-UHFFFAOYSA-N 448.888 4.140 5 20 IIBD COc1ccc(NC(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c([N+](=O)[O-])c1 1123372284 KXQFLPKTGAGUBP-SNVBAGLBSA-N 430.408 4.490 5 20 IIBD CNC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)c(C)c1 1319498624 IXPKUQIHMSRHHP-UHFFFAOYSA-N 435.436 4.316 5 20 IIBD O=[N+]([O-])c1ccn(C2CCN(c3nnc(C4CCCCC4)n3Cc3cccs3)CC2)n1 1343357432 UMUIAVSTDSNKEI-UHFFFAOYSA-N 441.561 4.382 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)c3ccc(O)cc3)CCC2)cc1 1785793552 GZNJYGOVVGRGSA-UHFFFAOYSA-N 445.475 4.291 5 20 IIBD C[C@H]1C[C@@]1(C)C(=O)NC1(c2ccc(NC(=O)Cc3cc([N+](=O)[O-])ccc3F)cc2)CCC1 1786672874 VOADGMPEXKYIGG-NPMXOYFQSA-N 439.487 4.457 5 20 IIBD O=C(CCc1cccs1)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1 1786949530 YOQDWJIWJWAUQA-UHFFFAOYSA-N 438.509 4.365 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)[C@H]4CC=CCC4)cc3)CCC2)ncc1[N+](=O)[O-] 1790467116 UFUUVFIPJMCFPN-KRWDZBQOSA-N 434.496 4.402 5 20 IIBD C[C@@H]1CCC[C@@H]1C(=O)N1CCC2(CCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)CC1 1806490458 NMOIRYYFTOUIKW-KNQAVFIVSA-N 441.572 4.195 5 20 IIBD CC(C)=CCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(F)c1[N+](=O)[O-])CC2 1822734239 DUMYBKGEDSHFSG-CYBMUJFWSA-N 446.504 4.163 5 20 IIBD Cc1ccc(F)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823609387 WLKDYXUCEZGSRA-LJQANCHMSA-N 443.475 4.182 5 20 IIBD Cc1cc(C)c(NC(=O)COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)c1 11276164 WZJHNQNKDJQWQU-UHFFFAOYSA-N 428.488 4.262 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2ccc(C)cc2Br)c1 16196004 OGVJKDCWGPSEEK-UHFFFAOYSA-N 439.287 4.183 5 20 IIBD Cn1ccnc1[C@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 16262341 KDTIIZVWVLAEJY-MRXNPFEDSA-N 449.692 4.264 5 20 IIBD Cc1cc(=O)c(C(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)nn1-c1cccc(C(F)(F)F)c1 20976863 QJFLROWIHLWIRW-CYBMUJFWSA-N 447.369 4.386 5 20 IIBD Cc1ccc(-n2nc(C)c(NC(=O)COC(=O)c3cc(Cl)ccc3[N+](=O)[O-])c2C)cc1 23584351 LTWAKGPWEVJGTJ-UHFFFAOYSA-N 442.859 4.155 5 20 IIBD O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 23648911 PIHSGVMRAIKYPQ-UHFFFAOYSA-N 448.445 4.146 5 20 IIBD Cc1ccc(NC(=O)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c(OCc2ccccc2)c1 62687404 DCIYERHUZWDJMW-QGZVFWFLSA-N 433.464 4.298 5 20 IIBD CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 72058165 XTHNKXJBGDVIJK-AWEZNQCLSA-N 434.899 4.020 5 20 IIBD Cc1ccc(NC(=O)[C@H]2CCc3ccccc3N2C(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 72066767 XJDKQUPUXFDYGA-HSZRJFAPSA-N 429.476 4.432 5 20 IIBD C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(F)ccc1N1CCC(O)CC1 78657014 PHTOTODDRMQEKE-GFCCVEGCSA-N 436.871 4.231 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1cc(-c2cccs2)on1)c1ccccc1[N+](=O)[O-] 105476845 VMQDFOUXHOXXEH-CQSZACIVSA-N 429.454 4.124 5 20 IIBD O=C(NCc1cccc(OCc2ccccn2)c1)c1ccc(Br)c([N+](=O)[O-])c1 107559320 HCGQHFVHDULOTJ-UHFFFAOYSA-N 442.269 4.261 5 20 IIBD COc1cccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 109166056 HHTVOVGXPHPYPC-NRFANRHFSA-N 439.512 4.025 5 20 IIBD Cc1nc(-c2ccc(CCNC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)s2)cs1 109280979 SYAOZYACCDAAMB-UHFFFAOYSA-N 439.522 4.246 5 20 IIBD COc1ccc(CN[C@@H](C)c2nnc3ccccn23)cc1OCc1ccc([N+](=O)[O-])cc1 237287180 TZEAETVLFQMSOB-INIZCTEOSA-N 433.468 4.076 5 20 IIBD O=c1c(Cl)c(N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cnn1-c1ccc([N+](=O)[O-])cc1 301989929 MGKMDGQIQGZODH-APWZRJJASA-N 447.278 4.390 5 20 IIBD COc1ccc(-c2ccc(CNCCCc3nc(C)c(C(=O)O)s3)o2)c([N+](=O)[O-])c1 426704040 OXTGJMDQUBCZBX-UHFFFAOYSA-N 431.470 4.049 5 20 IIBD CN(C)CCc1ccc(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1 427514942 QLIZZTSLKPHFMW-UHFFFAOYSA-N 433.508 4.208 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)cc1 427555067 VCWYFMBTZSCYEN-IVZQSRNASA-N 444.509 4.180 5 20 IIBD C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)[C@@H](C(N)=O)C1 428634734 BPMVUUSIGKCUSQ-YVEFUNNKSA-N 433.917 4.125 5 20 IIBD COC(=O)[C@@H]1CCO[C@H]1C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 430105508 WMSMUTOJTVUFRJ-CTNGQTDRSA-N 430.526 4.113 5 20 IIBD CCCCCn1nc(C)cc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1 432241529 KHJWZAUKHUSWIY-UHFFFAOYSA-N 444.536 4.043 5 20 IIBD Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 434139864 AQQYBLBBNYFCBG-CYBMUJFWSA-N 431.399 4.954 5 20 IIBD CCOC(=O)C1CCN(C(=O)CNc2cc([N+](=O)[O-])ccc2Sc2cccs2)CC1 434881076 SDBRKQUUWDBSGS-UHFFFAOYSA-N 449.554 4.021 5 20 IIBD COc1ccc(Br)cc1CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 436230177 VLHCWJLYGOVWIU-UHFFFAOYSA-N 437.293 4.382 5 20 IIBD COc1ccc(COCCCNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1 436337841 CFWNDJVSZBLPQM-UHFFFAOYSA-N 434.467 4.166 5 20 IIBD O=C(C1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1)N(Cc1ccccc1)C1CC1 436386775 JFMSFGYFDSMMTQ-UHFFFAOYSA-N 448.445 4.416 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CCc1cccc(F)c1)C1CCCC1 440008029 MFRPFQSGAWZEFB-UHFFFAOYSA-N 443.475 4.085 5 20 IIBD CCCN(C(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12)c1cccc([N+](=O)[O-])c1 441488722 RDMNEVGSZXFQAG-SIKLNZKXSA-N 443.500 4.068 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1)c1cccc([N+](=O)[O-])c1 441708960 TZXATZYGBIFAQF-CYBMUJFWSA-N 440.843 4.251 5 20 IIBD COC(=O)c1cc(NC(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)cc([N+](=O)[O-])c1 444040741 SKFZVJFYSAKVCC-UHFFFAOYSA-N 426.322 4.210 5 20 IIBD Cc1cc(C)n(Cc2nnc(N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2CC(C)C)n1 460607471 GSVCEBJYJKDYNB-UHFFFAOYSA-N 425.537 4.119 5 20 IIBD C[C@@H]1C[C@H]1[C@@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(Cl)cc1 461420220 WECMEIVZWZQEDK-LCCAYYTGSA-N 436.295 4.145 5 20 IIBD O=C(c1ccccc1)c1ccc(N2CCN(c3ncnc4ccsc34)CC2)c([N+](=O)[O-])c1 462868588 RERZRLNQJGYPJA-UHFFFAOYSA-N 445.504 4.157 5 20 IIBD C[C@@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)Oc1cccc(Cl)c1 463073130 HAGIFPWQUWOICQ-LBPRGKRZSA-N 435.267 4.327 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 463133346 XLIBYCOXSDJHMA-HNNXBMFYSA-N 438.871 4.287 5 20 IIBD COc1cc(CN2C(=O)[C@H](c3ccccc3)N(Cc3ccccc3)C2=O)c([N+](=O)[O-])cc1F 463446519 UCJYCWWSKIGERD-QFIPXVFZSA-N 449.438 4.448 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCc2c(Br)ccc(Cl)c2C1 464584951 BYODQMMVFNSQRN-UHFFFAOYSA-N 438.709 4.316 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N[C@H](CCc1ccccc1)c1ccccc1 465033999 PUAYBRUYAFTPCK-OAQYLSRUSA-N 432.476 4.399 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N(Cc1ccc(F)cc1F)C1CCCC1 465126820 JXPGXUFXGMPTAX-UHFFFAOYSA-N 432.423 4.158 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl 467220279 VLPKGUOJSRFPMN-SECBINFHSA-N 433.818 4.184 5 20 IIBD COCCN(C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)[C@H]1CCCSC1 468602882 QGVAKVCQQAGCDB-AEFFLSMTSA-N 444.557 4.147 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](OCc2ccccc2F)C1 470678042 LWXBKBFPHVORFV-SFHVURJKSA-N 448.516 4.294 5 20 IIBD CC1(c2ccc(Cl)cc2)CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 470688286 FCRSJUMAPXTNLI-UHFFFAOYSA-N 425.876 4.023 5 20 IIBD C[C@H]1CN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H](C2CC2)O1 470691876 BLVZVRZDDVFQNE-SBUREZEXSA-N 446.507 4.016 5 20 IIBD COC(=O)c1nc([C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)sc1C 471339041 ZGJDNXSPQBKPHA-CYBMUJFWSA-N 443.403 4.142 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])OC(C)C 471564852 GWLUNAIPNTWXPJ-GOSISDBHSA-N 437.290 4.262 5 20 IIBD O=C(c1ccc2nc(C(F)(F)F)cn2c1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 471735161 GVJKVQSIXYULGF-UHFFFAOYSA-N 446.307 4.466 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1 472695426 WUIZJSZNOAWOCF-UHFFFAOYSA-N 445.353 4.168 5 20 IIBD CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1ccc(CC)c([N+](=O)[O-])c1 474414340 LBJPPEKNWYJQQT-UHFFFAOYSA-N 427.501 4.423 5 20 IIBD O=C(CCC(=O)Nc1nnc(C2CC2)o1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 474821802 MEXDJJDGDQODPJ-UHFFFAOYSA-N 437.412 4.005 5 20 IIBD O=[N+]([O-])c1cc(F)cc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)c1 475800399 WKTDRQFANDOYEL-MRXNPFEDSA-N 444.868 4.136 5 20 IIBD O=C(NC[C@H]1CC[C@H](O)C1)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 476557433 ZSTPENBMFCPVGF-JSGCOSHPSA-N 429.523 4.247 5 20 IIBD Cc1ccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1NC(=O)N(C)C 478643211 HIIQBOIWNQBCFW-UHFFFAOYSA-N 425.470 4.373 5 20 IIBD O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 478786551 WOGSQYQPPYNHMI-UHFFFAOYSA-N 444.835 4.344 5 20 IIBD C[C@H](N[C@@H](C)c1ccc(Br)cn1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 482960133 NBVHRAWAXHCEJX-UWVGGRQHSA-N 427.686 4.084 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](c2ccccc2Cl)C1 484708788 PJWYYOCYGLCJTC-SFHVURJKSA-N 436.917 4.200 5 20 IIBD COc1cc(C(=O)N(CC2CCC2)CC2CC2)c([N+](=O)[O-])cc1OCc1cscn1 484808031 YCHHDUOBFRRPOS-UHFFFAOYSA-N 431.514 4.291 5 20 IIBD COc1cc(CN(C)c2ncc([N+](=O)[O-])cc2Br)c(SC)cc1OC 485124832 BQLKXIWCBGCNCN-UHFFFAOYSA-N 428.308 4.128 5 20 IIBD O=C(N[C@@H](c1ccccc1)c1cccnc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 485794460 ZQJJANXPHNNZLN-IBGZPJMESA-N 431.370 4.450 5 20 IIBD COC(=O)c1cc(NC(=O)Cc2csc(-c3ccc(C)cc3)n2)c(C)c([N+](=O)[O-])c1 485944405 XAKUKOCYZDECCZ-UHFFFAOYSA-N 425.466 4.303 5 20 IIBD O=C(NCc1ccc(Cn2cccn2)cc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 486371609 FPBFVGNHNSZTNW-UHFFFAOYSA-N 442.475 4.349 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cn2)cc1[N+](=O)[O-] 487349072 DRNHTHRYWJNVTP-UHFFFAOYSA-N 448.464 4.314 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 490018133 OYCLGGDDHZBHJO-HUUCEWRRSA-N 444.557 4.145 5 20 IIBD CCOc1ccc(NC(=O)CN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c([N+](=O)[O-])c1 490043425 QDRKVAUSNFWNQM-OAHLLOKOSA-N 444.557 4.147 5 20 IIBD CC1(c2ccccc2)CCC(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 492583872 ROHYWMUOKFSCNL-UHFFFAOYSA-N 447.438 4.151 5 20 IIBD COc1cc(Br)c(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1OC 497793222 SYYFKTVMQZCFFO-UHFFFAOYSA-N 447.188 4.228 5 20 IIBD COc1ccc(-c2nc(NC(=O)c3cc([N+](=O)[O-])ccc3SCCO)sc2C)cc1 498076165 DLNPSMCVMQYSOP-UHFFFAOYSA-N 445.522 4.372 5 20 IIBD CC(C)NC(=O)NCc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 500252143 UBLBWZPRXFJMRC-UHFFFAOYSA-N 439.497 4.178 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 503201022 PDZKHVVHZVBHEW-HXUWFJFHSA-N 445.928 4.089 5 20 IIBD COC[C@H](C)n1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2C)nnc1-c1ccccc1 508776983 BUWBURIMAKJNMM-AWEZNQCLSA-N 441.513 4.100 5 20 IIBD CC1(c2nc3ccccc3s2)CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 509156786 VIVGLSSLUBLFAW-UHFFFAOYSA-N 445.566 4.131 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 510068684 FMUWGURIYLIFQZ-MRXNPFEDSA-N 439.493 4.195 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccc(Br)cc1Cl 511095609 XEUGLYDKDPWXPE-UHFFFAOYSA-N 426.698 4.124 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@H](COc2ccccc2Cl)C1 513894594 PZJLZUZAYQDQHK-INIZCTEOSA-N 440.887 4.365 5 20 IIBD Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)cc2)cc1 515447734 DHMJTKAKWGOKTC-KRWDZBQOSA-N 438.505 4.368 5 20 IIBD O=C(Nc1ccccc1)NC1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 517115124 KLFNUFDJPKMLHG-UHFFFAOYSA-N 449.414 4.014 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 518295466 OORRDZUCJABZJT-UHFFFAOYSA-N 425.832 4.217 5 20 IIBD CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 518474023 YRVQYPXYGUAZES-SJLPKXTDSA-N 435.267 4.042 5 20 IIBD Cn1cc(C(=O)Nc2ccc(Sc3nncs3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 519114752 XZVLBRVUVQQSPV-UHFFFAOYSA-N 438.494 4.250 5 20 IIBD O=C(CCN1CCCCC1)Nc1cccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 519510358 KPSCTGKQCKBEKM-UHFFFAOYSA-N 430.892 4.315 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C)cc1 520714680 AHALAARVVAARHK-UHFFFAOYSA-N 439.493 4.371 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)N1CCC[C@@H](CO)C1 522770403 XGHVRLCPOFAZRO-CQSZACIVSA-N 437.855 4.094 5 20 IIBD Cc1ccc(-c2ccc(C(=O)N3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)c(F)c2)cc1 524866941 XNNJSHQOJNLVHY-UHFFFAOYSA-N 447.466 4.308 5 20 IIBD O=C(Nc1nnc(SCc2ccccc2)s1)N1CCc2ccc([N+](=O)[O-])cc2C1 531277106 ICLDURBICXAXOB-UHFFFAOYSA-N 427.511 4.329 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc3c2CN(c2nccs2)C3)c(Cl)c1 535342882 BCFUZZUYSVEJJL-UHFFFAOYSA-N 436.902 4.026 5 20 IIBD CN1CCC(N(C)[C@H]2CCCC[C@H]2N(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 535849374 YRSCAIGHTBJHQT-VQTJNVASSA-N 444.601 4.219 5 20 IIBD CNC(=O)CN(Cc1cccc(C(F)(F)F)c1)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 536349514 UNEFZQCAMXHVSC-UHFFFAOYSA-N 448.401 4.017 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCC3([C@H](C)CCO)CCC3)cc2[N+](=O)[O-])n1 539460803 RDWYYHAYBNQTDV-CYBMUJFWSA-N 435.571 4.430 5 20 IIBD CCOC(=O)c1sc2nc(CN(Cc3ccc([N+](=O)[O-])cc3)C(C)C)nc(N)c2c1C 540079042 LHSVXRBWOJRDHC-UHFFFAOYSA-N 443.529 4.077 5 20 IIBD O=C(CCc1cc(F)ccc1Br)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 543123907 SZRDWRDRKCTCAO-UHFFFAOYSA-N 439.237 4.229 5 20 IIBD C[C@H](Nc1ccc(-c2nc(Cc3nc4cccnc4[nH]3)no2)cc1[N+](=O)[O-])c1ccccn1 545719952 GJBGNNYHWZSMRK-ZDUSSCGKSA-N 442.439 4.075 5 20 IIBD Cc1cc(C)cc(C(=O)N2CCC[C@@H](c3nc(CCNc4ccccc4[N+](=O)[O-])no3)C2)c1 546377481 VXTOBGVRJVZLEB-GOSISDBHSA-N 449.511 4.269 5 20 IIBD C[C@H]1C[C@H](CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CN1Cc1ccccc1 547245941 GAXARQKUWRTNLW-HKUYNNGSSA-N 427.520 4.428 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])c1nnc(-c2ccccc2F)n1C[C@@H]1CCCCO1 549649671 AZAVKPLIKCOEMF-KRWDZBQOSA-N 425.464 4.198 5 20 IIBD O=[N+]([O-])c1ccc(C(F)(F)F)c(-c2nc([C@@H]3CN(Cc4ccccc4)CCO3)no2)c1 551356114 UJKNOLHTZHCPSX-KRWDZBQOSA-N 434.374 4.237 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] 551767983 IQSCALNPAIXKER-YLJYHZDGSA-N 443.475 4.006 5 20 IIBD CC(C)(C)c1cnc(CCC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 554836076 ZEKUCHUQPHRZAF-UHFFFAOYSA-N 428.411 4.060 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N(CC)CC(=O)Nc2c(Cl)cccc2Cl)c1 554885579 FEMKIPGLBMMEFQ-UHFFFAOYSA-N 440.283 4.401 5 20 IIBD Cc1ccc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCCO2)s1 559179467 YTMFUXYWKFXDHQ-GOSISDBHSA-N 427.530 4.429 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](c1cccc(F)c1)c1nccn1C 559503793 AKVGPDCHAJYTPT-KRWDZBQOSA-N 447.264 4.058 5 20 IIBD C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 562400535 KISLOYVBVCTLBT-JPYJTQIMSA-N 431.492 4.089 5 20 IIBD CCOc1cc(NC(=O)NC[C@]2(C)OCCc3sccc32)c([N+](=O)[O-])cc1OCC 564399043 BNSHLKSNDUDPTN-FQEVSTJZSA-N 435.502 4.063 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 578670858 HPYOPOGQQGECRX-CQSZACIVSA-N 437.296 4.485 5 20 IIBD Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(N[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cc21 587165076 GKCVVKQDIIANDU-MYJAWHEDSA-N 440.344 4.107 5 20 IIBD COc1cc(CN2CCC[C@@H](C[C@@H]3CCOC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F 589199766 GSUFYBJUSKHWJU-GJZGRUSLSA-N 432.439 4.183 5 20 IIBD COCCN(C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)[C@@H](C)c1ccccc1 603529241 SXOQVQSEHQNBPS-SFHVURJKSA-N 436.512 4.306 5 20 IIBD O=C(c1ccc(CSc2ccccc2)cc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 603572462 UCFXHPRROPJORW-UHFFFAOYSA-N 434.521 4.245 5 20 IIBD COc1ccc([C@H]2CCCN2C(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)cc1OC 603574174 LVGMSUIWWOQKSO-QGZVFWFLSA-N 446.525 4.218 5 20 IIBD CCOc1ccc([C@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C(C)C)cc1OCC 603707557 FUQBZOYQBMILAS-OAQYLSRUSA-N 443.500 4.153 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccnc(N(C)C)c1 603730536 IPVBQRLLFOKAKR-UHFFFAOYSA-N 440.481 4.213 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncc(Cc3ccccc3F)s2)c(Cl)c1 604036388 ACQIFWVTAOYADH-UHFFFAOYSA-N 427.866 4.235 5 20 IIBD O=[N+]([O-])c1cc(CNC[C@@H](O)COc2ccc(F)cc2)ccc1Oc1ccc(F)cc1 604419112 KLXCMRQULMKEKH-GOSISDBHSA-N 430.407 4.195 5 20 IIBD O=C(NC[C@H]1CCN(c2ccc(Cl)cc2)C1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 604468252 VQJGIDFCCMFZGD-GFCCVEGCSA-N 440.834 4.498 5 20 IIBD CCCNC(=O)C1(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CCCCC1 608818903 JHQRAEMGINSNHS-UHFFFAOYSA-N 438.528 4.166 5 20 IIBD Cc1csc(Nc2ccc(NC(=O)CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2)n1 609762191 HSEJBALXUCJTMX-UHFFFAOYSA-N 445.888 4.125 5 20 IIBD O=C(CSC[C@@H]1CCCCO1)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 609817055 LDONRDDPZYQDGE-KRWDZBQOSA-N 442.497 4.281 5 20 IIBD CC(C)n1c(CCNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])nc2ccccc21 609885602 KLJVYCJVZGMJHM-UHFFFAOYSA-N 430.892 4.307 5 20 IIBD O=C(Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 610076023 YNNSHWAOULWLEK-SFHVURJKSA-N 442.491 4.180 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC(Cc2ccc(C(F)(F)F)cc2)C1 610660148 FYSQHRCOAIUYJK-UHFFFAOYSA-N 430.386 4.114 5 20 IIBD CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 610919372 DSFJJQAVBPAIAS-SFHVURJKSA-N 442.516 4.031 5 20 IIBD CCOC(=O)Cc1csc(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)n1 611199238 YTDYVCPYQSNYKE-UHFFFAOYSA-N 435.527 4.444 5 20 IIBD COC(=O)c1ccc(COc2c([N+](=O)[O-])cnc3ccc(Br)cc23)cc1F 612661176 RJAJVUABMYQOMR-UHFFFAOYSA-N 435.205 4.410 5 20 IIBD COc1ccc([C@@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c2ccccc2)cc1 725817473 GTRUQODDIZCLNA-FQEVSTJZSA-N 432.885 4.325 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)CCc1cccc(OC2CCCC2)c1 727890607 OKZDCYGPWVAXKP-UHFFFAOYSA-N 426.469 4.339 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CN(Cc1ccc2c(c1)OCO2)C1CCCCC1 728283975 ANUJIUPCXFBEHS-UHFFFAOYSA-N 425.441 4.024 5 20 IIBD O=C(COC(=O)c1cnc(-c2ccco2)s1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 729024941 RNFMSYAYLZLKJM-UHFFFAOYSA-N 441.343 4.126 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)Cc1cccc(OCc2cccc(Cl)c2)c1 730398504 JMIVRPWKNHNBAT-UHFFFAOYSA-N 429.860 4.118 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@@H]1C[C@H]1c1cccc(Br)c1 732030834 SYQNTEMAFUAGDO-GXTWGEPZSA-N 447.257 4.322 5 20 IIBD COc1ccc(Oc2ccc(S(=O)(=O)Oc3ccc([N+](=O)[O-])cc3OC)cc2)cc1 741253887 OVMTUYVXVFSXQM-UHFFFAOYSA-N 431.422 4.172 5 20 IIBD CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 742016651 DHBGQZQALLDHCQ-FQEVSTJZSA-N 425.529 4.223 5 20 IIBD COc1ccc(C2(C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CCC2)cc1 744916507 ZJDMACGVXWALOV-CYBMUJFWSA-N 432.860 4.249 5 20 IIBD CC[C@@H](OC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)c1ccc(NC(C)=O)cc1 750963989 KVGJJMOIVHXDMG-QGZVFWFLSA-N 449.257 4.134 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 751358749 GYKQKNDKJQDWAS-SFHVURJKSA-N 445.324 4.036 5 20 IIBD CN(c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])[C@H]1CCO[C@H](c2ccc(F)cc2)C1 754113494 KZNNCKDHVAPFMV-KSSFIOAISA-N 444.431 4.087 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccc(N(C)C(=O)c2ccncc2)cc1 754455275 IRCJRVKMRBEEOX-UHFFFAOYSA-N 433.468 4.205 5 20 IIBD C[C@H](OC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccccc1OC(F)F 755058791 BMFOWCBSELMJBV-QWRGUYRKSA-N 426.347 4.009 5 20 IIBD CCOc1cc2c(cc1OCC)CN(C(=O)c1cccc([N+](=O)[O-])c1Br)CC2 757876289 VEOZJXVBHCAJSH-UHFFFAOYSA-N 449.301 4.353 5 20 IIBD COc1ccc2c(c1)CN(S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@H](c1ccccc1)C2 759273534 MOHZTYKXBUCHJB-FQEVSTJZSA-N 442.468 4.231 5 20 IIBD Nc1ccc(-c2noc(-c3ccc4c(c3)C[C@@H](c3ccccc3)OC4=O)n2)cc1[N+](=O)[O-] 761250499 SCXWXCGBWDFQJK-FQEVSTJZSA-N 428.404 4.348 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc2ccccc2cc1OC(F)F 761510059 GZMFZFZHEWXLSL-UHFFFAOYSA-N 446.362 4.154 5 20 IIBD CN(C(=O)OC(C)(C)C)c1ccc(OC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1 764279735 LXBIUMRSPGHURW-UHFFFAOYSA-N 438.440 4.371 5 20 IIBD C[C@](O)(CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1cccc(Cl)c1 765230656 QNWAWWWHHROIGA-INIZCTEOSA-N 428.670 4.040 5 20 IIBD C[C@H](c1nc(-c2cccs2)no1)N1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 768554601 KVUNGQOTIFAWMT-CYBMUJFWSA-N 433.921 4.239 5 20 IIBD O=C(COC(=O)c1ccc(Cl)nc1C(F)(F)F)Nc1ccc(Cl)cc1[N+](=O)[O-] 769198852 YWKYARKHHHAFED-UHFFFAOYSA-N 438.145 4.111 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H](C)Oc2cccc3ccccc23)c([N+](=O)[O-])c1 769376410 BEZQTJCJXGFLNX-HUUCEWRRSA-N 438.436 4.094 5 20 IIBD CCCN(C(=O)CCOc1ccccc1[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 769592439 OHDJROLRCNQCOY-UHFFFAOYSA-N 435.521 4.002 5 20 IIBD CN(c1ccccc1)c1ccc(CN2CCC[C@H]([C@@H](O)c3nccn3C)C2)cc1[N+](=O)[O-] 770333430 XPGYQQGWHLGMED-WMZHIEFXSA-N 435.528 4.042 5 20 IIBD C[C@H](NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@H](OC1CCOCC1)c1ccccc1 773084200 QIJSRQHJIOIPFY-UQBPGWFLSA-N 439.556 4.479 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCC(Sc2ccc(Cl)cc2)CC1 773196528 UDKOLCHKIOLCAT-UHFFFAOYSA-N 430.917 4.381 5 20 IIBD COCCOc1c(Cl)cc(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cc1Cl 773905008 ZOXHDEABQNZHGG-UHFFFAOYSA-N 428.272 4.245 5 20 IIBD CC(C)([C@@H](OC(=O)c1ccc2c(c1)CCC(=O)N2)c1ccc(Br)cc1)[N+](=O)[O-] 774366609 CBWCIVRBTFDIQM-SFHVURJKSA-N 447.285 4.287 5 20 IIBD COC1CCN(c2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc2C(F)(F)F)CC1 780471332 FQEMCTYJVDZFIQ-UHFFFAOYSA-N 439.390 4.187 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCC[C@H]1c1nc2ccccc2s1 781563550 QISGYTPCTYZQHP-INIZCTEOSA-N 426.454 4.409 5 20 IIBD Cc1ccc([C@H](NC(=O)COC(=O)c2cccc([N+](=O)[O-])c2Br)C2CC2)cc1 781678235 PZFFSSIOGPKDAP-IBGZPJMESA-N 447.285 4.090 5 20 IIBD O=C(Oc1cc([N+](=O)[O-])ccc1I)c1cc(Cl)ncc1Cl 782664591 LHRCBCVSWZUNJM-UHFFFAOYSA-N 438.992 4.120 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Oc2ccccc2-c2nccs2)c1 784436467 NBEPBFFGTMKYTF-UHFFFAOYSA-N 441.284 4.249 5 20 IIBD CC(C)[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H](O)c1ccccc1 789253977 VTDVHWXSWXIRNZ-ROUUACIJSA-N 425.407 4.171 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(Oc3ccccn3)cc2)c(C)c1[N+](=O)[O-] 790390283 NQQWHQNIBBNRDO-UHFFFAOYSA-N 444.425 4.108 5 20 IIBD O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)N1CCC[C@@H]1c1ccsc1 795792950 YZBMOZSUDHYVOC-GFCCVEGCSA-N 435.296 4.084 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1I)N1CCCCc2sccc21 798047488 PBBYUNSOWAAPRB-UHFFFAOYSA-N 428.251 4.244 5 20 IIBD C[C@H](C(=O)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(C(F)(F)F)cc1 798820029 SECQMYZVSDVHRO-NSHDSACASA-N 444.793 4.344 5 20 IIBD CS(=O)(=O)CC1(COC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CCC1 799553130 MBRKOMSIUXPYQS-UHFFFAOYSA-N 435.523 4.118 5 20 IIBD O=C(COC(=O)c1ccc(Oc2ccccc2)cn1)Nc1ccc(Cl)cc1[N+](=O)[O-] 799554281 ZTWBJTIMCBMYRA-UHFFFAOYSA-N 427.800 4.231 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)OC3CCC(N4CCCC4=O)CC3)cc2[N+](=O)[O-])C1 799679185 ZZDFMOXUPKIAJM-BEEJXANESA-N 443.544 4.168 5 20 IIBD O=C(OC[C@H]1CCN(C(=O)c2ccccc2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 801247674 LEARTFQSGVJRAO-HNNXBMFYSA-N 437.477 4.037 5 20 IIBD O=C(N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1cc(F)c([N+](=O)[O-])cc1F 804748141 GGOHHBMIKSRISI-SFHVURJKSA-N 430.329 4.023 5 20 IIBD C[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)OC(C)(C)C)CC2)c1cccc([N+](=O)[O-])c1 807785478 FPFLHJWOZOEVGE-JSGCOSHPSA-N 446.529 4.176 5 20 IIBD COc1cc(C)c(NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)c(C)c1C 808116575 ZZYVGIKGHARIIN-UHFFFAOYSA-N 429.292 4.092 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)c1ccc(S[C@@H]2CCCCNC2=O)cc1 809049397 WBAFPXZHDOJFMY-JLTOFOAXSA-N 444.509 4.282 5 20 IIBD COC(=O)c1ccc(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)c(Br)c1 809753785 QCVCUWALGDODEJ-UHFFFAOYSA-N 445.216 4.035 5 20 IIBD Cc1csc(C(=O)O[C@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)c1Br 813171831 VMIQFVXIYAAZGO-AWEZNQCLSA-N 425.304 4.159 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1ccc(N2CCCNC2=O)cc1 813243081 VGODTFGYJDGYLU-KRWDZBQOSA-N 439.516 4.196 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])CC2)C1 814129816 JRKGXTPVSDCNEV-GOSISDBHSA-N 445.560 4.368 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)C1 814431635 NDVMOENBDGGTER-JKSUJKDBSA-N 435.496 4.233 5 20 IIBD C[C@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1cc2ccccc2o1 852584115 IGBFIVRKKNAYMY-KGLIPLIRSA-N 428.466 4.242 5 20 IIBD Cc1sc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)nc1-c1ccccc1 913123370 MHXSOOWRPSHXDC-AWEZNQCLSA-N 440.456 4.157 5 20 IIBD Cc1cccc(C(=O)N2CCCC2)c1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 915158397 XXRXZLPVTCFRLV-UHFFFAOYSA-N 432.274 4.154 5 20 IIBD O=[N+]([O-])c1ccc2nc(SCc3nc(O)c4cnn(-c5ccccc5)c4n3)sc2c1 916641446 HYVHPZKCUCIZLC-UHFFFAOYSA-N 436.478 4.331 5 20 IIBD Cc1ccc(F)cc1NC(=O)[C@@H](C)OC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 917257812 GJYIFBJHYBUXQD-LLVKDONJSA-N 444.337 4.167 5 20 IIBD Cn1c([C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nc2ccccc21 917498137 SZMZTNVNWMBLEH-KRWDZBQOSA-N 434.905 4.051 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)s1 917611945 QTKCNIGBGBYTHZ-UHFFFAOYSA-N 448.363 4.347 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc3ccccc3c2Br)c(F)c1 917846985 LKYHIAXRTHVYOS-UHFFFAOYSA-N 426.219 4.417 5 20 IIBD COc1ccc2cc(CN(C)C(=O)[C@@H](C)OC(=O)c3cc([N+](=O)[O-])ccc3F)ccc2c1 919251002 IUMMAAARHHNJDJ-CQSZACIVSA-N 440.427 4.100 5 20 IIBD CN(C)S(=O)(=O)c1ccccc1CNCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 1318338644 AYRDRAUWNWSUOK-UHFFFAOYSA-N 449.916 4.048 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1 1318431531 MEGJCJXEUHLATQ-UHFFFAOYSA-N 443.463 4.015 5 20 IIBD O=C(c1cccs1)C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 1319551092 DKDIERQMLOVUSP-UHFFFAOYSA-N 437.315 4.083 5 20 IIBD COC(=O)N1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CC1 1323985939 MRBQIWLEEIFMPW-UHFFFAOYSA-N 449.916 4.314 5 20 IIBD Cn1cnnc1Sc1ccc(-c2nnc(-c3cccc(OC(F)F)c3)o2)cc1[N+](=O)[O-] 1345951309 IPJFVUFOVFWBKZ-UHFFFAOYSA-N 446.395 4.193 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C)c([N+](=O)[O-])cn4)CCC3)cc2)nc1 1787480008 CWFNTRUVCKKCPV-UHFFFAOYSA-N 445.479 4.063 5 20 IIBD Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)[C@H]4CC4(F)F)CCC3)cc2)cc1[N+](=O)[O-] 1790525082 ZTJDLHWMWMIDOY-GOSISDBHSA-N 443.450 4.235 5 20 IIBD C[C@@H]1CCC[C@H]1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)[nH]n1 1818959058 NCCMEEUNJWXNLM-OMWUSAIZSA-N 443.479 4.199 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CC=CCC2)CC1 1830277296 PPAMOLLBDIAEPU-VYKZSKQESA-N 441.528 4.177 5 20 IIBD O=C(c1ccccc1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830620454 BDCFMRGKVKKWGC-OAQYLSRUSA-N 439.487 4.281 5 20 IIBD Cc1cc(CCCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C2(C)CCCC2)c([N+](=O)[O-])cc1F 1847324567 GKABZQUOTQOMHF-PMACEKPBSA-N 445.535 4.147 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])cc1OC 9487705 IWXNOBDZCVGDRJ-CYBMUJFWSA-N 430.457 4.094 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)COc1ccc2oc3c(c2c1)CCCC3 10839403 GDEDQMKNRGUITI-UHFFFAOYSA-N 438.436 4.089 5 20 IIBD Cc1ccc(NC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cc1C(F)(F)F 10970244 GVZRJJJGQSAXPH-UHFFFAOYSA-N 432.358 4.029 5 20 IIBD Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 15408330 OVABQOCBJGQTFS-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Oc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] 20837090 BIIAPHOAFQTDSY-UHFFFAOYSA-N 425.253 4.401 5 20 IIBD Cc1cc(Cl)ccc1NC(=O)[C@H](C)OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 22559217 REOSTEHHHLLITQ-AWEZNQCLSA-N 431.876 4.341 5 20 IIBD CC(C)n1c(SCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])nc2ccccc2c1=O 24667083 TZVURASTWNROLJ-UHFFFAOYSA-N 432.889 4.270 5 20 IIBD CS(=O)(=O)Nc1cc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)ccc1F 25670777 HNCNJQWJOVFOIA-UHFFFAOYSA-N 444.444 4.101 5 20 IIBD COc1ccc(CSCC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)cc1[N+](=O)[O-] 27383248 QBTIMMMGHMVUQI-INIZCTEOSA-N 441.509 4.384 5 20 IIBD Cc1cccc(N2CCN(Cc3ccc(NC(=O)Cc4ccccc4[N+](=O)[O-])cc3)CC2)c1 29417667 INPPWPHRMNRYMW-UHFFFAOYSA-N 444.535 4.407 5 20 IIBD CCOc1ccc(Nc2ncccc2C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 58318605 ZUWBFEHQKSIPTM-UHFFFAOYSA-N 447.495 4.095 5 20 IIBD Cc1cc(N(C)C)ccc1NC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 58552212 LEQZVHRSLGPDKZ-IBGZPJMESA-N 428.489 4.174 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1nc(-c2cc(Br)cs2)no1 64696661 JBQJDPNLLOPMQL-UHFFFAOYSA-N 437.275 4.349 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCc1ccc(Br)c(F)c1 301241781 MRFHWIKOIYOWFG-UHFFFAOYSA-N 439.209 4.105 5 20 IIBD Cc1cc(C)n(-c2ccc([C@@H](C)Nc3ccc(C(=O)N4CCOCC4)cc3[N+](=O)[O-])cc2)n1 301753559 WDNIMOWJMBXBHC-GOSISDBHSA-N 449.511 4.043 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1cccc(C[S@](=O)C2CCCCC2)c1 302682352 XHZRBJCMMJWZGV-NDEPHWFRSA-N 436.555 4.323 5 20 IIBD Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 302803229 DLNYKLJPLSRRCI-CYBMUJFWSA-N 443.887 4.375 5 20 IIBD O=C(O)C[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cnn(-c2ccccc2)c1 426761527 BGTKDXSAGSUKCS-FQEVSTJZSA-N 449.492 4.210 5 20 IIBD COc1ccc([C@H](NCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C(=O)O)cc1F 426822411 BXOMOXXBVWLONU-QFIPXVFZSA-N 439.443 4.426 5 20 IIBD Cc1cc(=O)c2cc(NC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)ccc2[nH]1 430180668 SEXMRYBZMCKHGP-UHFFFAOYSA-N 431.398 4.362 5 20 IIBD O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H]1c1ccc(Br)c(F)c1 430215813 HNGCIHUBTHEDJB-PBHICJAKSA-N 439.281 4.073 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nnc(SCc2ccccc2)s1 431341813 NHJQXUVJRMPZLG-UHFFFAOYSA-N 436.540 4.156 5 20 IIBD O=C(NCc1ccc2c(c1)COC2)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 431929164 YKOXUYIMMRJXHL-UHFFFAOYSA-N 433.251 4.048 5 20 IIBD Cc1cc2c(N3CCC[C@@H]3C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)ncnc2s1 432739664 AHHGPDIOKMEBMY-RHSMWYFYSA-N 425.514 4.063 5 20 IIBD CNC(=O)c1cc(Oc2ccccc2NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])ccn1 432996917 VSUAQTXATNSGNI-UHFFFAOYSA-N 449.467 4.199 5 20 IIBD Cc1ccc(-c2[nH]nc(NC(=O)c3ccc(N[C@H](C)c4ccccn4)c([N+](=O)[O-])c3)c2C)o1 434435762 XUXCZNFXQUTSKH-OAHLLOKOSA-N 446.467 5.015 5 20 IIBD COc1cc(C(=O)Nc2cnn(-c3ccccc3F)c2C)c([N+](=O)[O-])cc1OC(F)F 435345031 ZKGFWKBUAOEZJE-UHFFFAOYSA-N 436.346 4.090 5 20 IIBD O=C(NC1CC1)c1ccc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc1 435940441 IUBMCKHDQJQODH-UHFFFAOYSA-N 433.414 4.104 5 20 IIBD COCCOc1ccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1F 436136959 UGDXNLQPDSSDAX-UHFFFAOYSA-N 442.393 4.376 5 20 IIBD O=C(CC1CCCC1)NC1CCC(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 437125395 KXVWNOIENKGHIP-UHFFFAOYSA-N 427.545 4.341 5 20 IIBD CC(C)c1ccc(C(=O)Nc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)cc1[N+](=O)[O-] 439145625 ZINOUAXXWDKAFN-UHFFFAOYSA-N 445.522 4.498 5 20 IIBD C[C@@H]1Oc2ccccc2N(CCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)C1=O 440603023 PJWUILFVZWDULY-SFHVURJKSA-N 445.475 4.332 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N(c2cc(NC(C)=O)ccc2OC)C(C)C)cc1OC 441588982 UBTPTJWXHMHLST-UHFFFAOYSA-N 445.472 4.024 5 20 IIBD C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 444410878 NQLDBKAKCYDRLD-VBKZILBWSA-N 426.860 4.036 5 20 IIBD O=C(Cc1noc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n1)Nc1ccccc1C(F)(F)F 445423296 JUPLUOUPUOFISI-UHFFFAOYSA-N 445.357 4.250 5 20 IIBD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NC2CCN(c3nc4ccccc4s3)CC2)n1 447543588 SDWSYMANHAYMAC-SJLPKXTDSA-N 426.546 4.143 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 460525329 RXBMUEHIJOPOEU-PKTZIBPZSA-N 436.556 4.081 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[C@H](CN4CCCCC4)C3)cc2[N+](=O)[O-])C1 461414860 ACCLAUHVWYKJFS-HSALFYBXSA-N 428.577 4.025 5 20 IIBD C[C@H]1CCO[C@H]1c1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)n1Cc1cccs1 461503878 WGLVONSYTVIAGK-HNAYVOBHSA-N 427.530 4.073 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCOC1 461651388 WUDJXEGBWMHUBM-KRWDZBQOSA-N 446.511 4.050 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2nc3c(F)cccc3n2C)cc1[N+](=O)[O-])c1ccccn1 468346295 NPHDLEKHHZGQLE-CYBMUJFWSA-N 434.431 4.441 5 20 IIBD CCCc1[nH]nc(C(=O)N[C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)c1[N+](=O)[O-] 468565891 MXLXDTDBWVAJSJ-CYBMUJFWSA-N 429.477 4.340 5 20 IIBD CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 470137153 RVYFRWFIHXFDIU-DFNIBXOVSA-N 426.448 4.033 5 20 IIBD COC(=O)[C@H](NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1)c1ccsc1 470140342 IXEZUPMZOBPHAT-OAHLLOKOSA-N 449.535 4.217 5 20 IIBD C[C@@H]1CN(c2cccc3cnccc23)CCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F 470411091 HNSCOBRCKSVTNR-MRXNPFEDSA-N 436.487 4.297 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])OC(C)C 471574903 QJKYEIUDLTZUOT-JLTOFOAXSA-N 436.892 4.307 5 20 IIBD COc1ccc(CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C(C)(C)C)c(OC)c1 472497961 KIOGQGLSHJLRJR-UHFFFAOYSA-N 438.484 4.239 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@H]2c2ncc(-c3cccc(F)c3)[nH]2)cc1 474342084 NJRLTXOWVLOUEL-IBGZPJMESA-N 430.461 4.040 5 20 IIBD C[C@@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1cc2cccc(F)c2o1 475071934 AVPCOQIYWPSPEQ-LLVKDONJSA-N 441.444 4.251 5 20 IIBD CCOc1cc(NC(=O)c2ccc(N3CCC(C)CC3)nc2)c([N+](=O)[O-])cc1OCC 476685434 DHYBTKZATWVILZ-UHFFFAOYSA-N 428.489 4.276 5 20 IIBD CC(C)(CCO)NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 478666679 XIRNOPBSUUJDOE-DTQAZKPQSA-N 425.510 4.412 5 20 IIBD COc1cc(C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)cc([N+](=O)[O-])c1C 478710203 PCIVKAKWNJFSNY-UHFFFAOYSA-N 426.448 4.146 5 20 IIBD O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1ccc([N+](=O)[O-])cc1Cl 479308466 HLEVJBGRWUTDME-OAHLLOKOSA-N 428.659 4.090 5 20 IIBD CCn1c(SCCC(=O)Nc2cccc(OC)c2)nnc1-c1ccc([N+](=O)[O-])cc1 480384366 MITSVXOFHQWYSS-UHFFFAOYSA-N 427.486 4.003 5 20 IIBD CCc1c(NC(=O)CNc2ccccc2[N+](=O)[O-])cnn1-c1ccc(C(F)(F)F)cc1 481865970 KDMBZYCAXJXGCS-UHFFFAOYSA-N 433.390 4.412 5 20 IIBD COCCN(C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)[C@H]1CC[C@@H](C)C1 482673330 OIHNIEUYRVUAOX-LMMKCTJWSA-N 426.517 4.440 5 20 IIBD CCNc1ccc(C(=O)N(c2cccc(SC)c2)C2CCN(C)CC2)cc1[N+](=O)[O-] 484408843 VAGJQDODSJGQDH-UHFFFAOYSA-N 428.558 4.490 5 20 IIBD Cc1c(CC(=O)Nc2ccc(-c3ccc(Br)s3)nn2)cccc1[N+](=O)[O-] 484608451 UHZPRBBUVNLLJU-UHFFFAOYSA-N 433.287 4.365 5 20 IIBD Cc1ccc(-c2noc(-c3cccc(-c4cnc5nc(O)n(C)c5c4)c3)n2)cc1[N+](=O)[O-] 486077958 JKPWXPMYWZNZHR-UHFFFAOYSA-N 428.408 4.275 5 20 IIBD CC[C@H]1CN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])[C@H](CC)CN1C(C)=O 486176835 MTUXLLFRZPJCLZ-VQTJNVASSA-N 439.512 4.035 5 20 IIBD COC(=O)c1c(Br)ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1C 486330260 TZRNWRHMVRLEOS-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD CC[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1cc(F)cc(Br)c1 486701384 SRDLRMGFKYKQMH-CQSZACIVSA-N 438.253 4.011 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC(Cc2ccccc2CO)CC1 490388239 ZSQQWHHOFYXIHM-UHFFFAOYSA-N 426.516 4.269 5 20 IIBD O=C(Nc1cc(CSCCO)ccn1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 491556978 IOPMAACVIIDWMM-UHFFFAOYSA-N 438.509 4.080 5 20 IIBD C[C@H](NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1nc(-c2ccccc2)cs1 494897659 KODNMODTMSTSSG-AWEZNQCLSA-N 426.502 4.023 5 20 IIBD CCNC(=O)[C@@H](NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])C(C)C 499423838 UDIBPVRGASKPNV-KRWDZBQOSA-N 435.933 4.290 5 20 IIBD CC[C@H](c1nnc(SCc2cccc([N+](=O)[O-])c2)n1-c1ccc(OC)cc1)N(C)C 501711093 VLYNOUSNNZUYGZ-LJQANCHMSA-N 427.530 4.489 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@@](O)(Cc4cccc(Cl)c4)C3)o2)c1 501815336 WMTKEIHTJPAMIM-JOCHJYFZSA-N 427.888 4.125 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)cc1[N+](=O)[O-] 501920069 USFYIVQVVKMTTR-GOSISDBHSA-N 435.509 4.167 5 20 IIBD CCOc1cc(NC(=O)Nc2ccc(OC)c(NC(C)=O)c2)c([N+](=O)[O-])cc1OCC 502323669 GFHUOVJLOYADQG-UHFFFAOYSA-N 432.433 4.003 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC1(c2ccc(Cl)cc2Cl)CCCC1 502668743 UROVZKMDIZIXBL-UHFFFAOYSA-N 425.316 4.425 5 20 IIBD CC(C)N(Cc1ccc(Br)cc1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 503463008 UFNABLIQEUJFQB-UHFFFAOYSA-N 441.347 4.140 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 503693940 FATXPQZNOAHQSZ-ZDUSSCGKSA-N 425.391 4.356 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 506828423 WTMSPLOLYFZYAX-UHFFFAOYSA-N 441.488 4.450 5 20 IIBD COc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 507327734 DFQREODAJCBQSS-UHFFFAOYSA-N 426.494 4.303 5 20 IIBD CC[C@@H](NC(=O)N1CCOC[C@H]1c1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 507569142 OCPDVJYAVLPOTH-AEFFLSMTSA-N 426.498 4.439 5 20 IIBD CCN(C(=O)c1ccc([N+](=O)[O-])cc1I)c1ccc(F)c(F)c1 509016028 JUFIVLBBSCRNDJ-UHFFFAOYSA-N 432.164 4.144 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)cc1C 509566428 FJVLPMIBXWXWKI-UHFFFAOYSA-N 439.921 4.146 5 20 IIBD Cc1c(Br)cc(C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1[N+](=O)[O-] 509636572 DGKVSKWNECAVLU-CYBMUJFWSA-N 444.289 4.080 5 20 IIBD O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 510855464 ZXSAJAWDXZHRQL-UHFFFAOYSA-N 444.278 4.412 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc3c(c2)CCN3C(N)=O)cc1 512212962 BZXJSKFIDWYSAC-UHFFFAOYSA-N 448.435 4.089 5 20 IIBD Cc1ccc(CN(C)Cc2cccc(NS(=O)(=O)c3ccccc3)c2)cc1[N+](=O)[O-] 512594548 AGYABCNTWZBNGM-UHFFFAOYSA-N 425.510 4.336 5 20 IIBD CCCOc1cc(NC(=O)c2ncn(-c3ccccc3)n2)c([N+](=O)[O-])cc1OCCC 512939435 DTYUQLPITIHURE-UHFFFAOYSA-N 425.445 4.005 5 20 IIBD Cc1nn(C)c(Nc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)c1[N+](=O)[O-] 513738857 AMUKLPFBSMCMBK-UHFFFAOYSA-N 433.390 4.329 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3nc(-c4cccs4)no3)cc2)c1 517608084 LGJFXNHVIMGKBJ-UHFFFAOYSA-N 428.451 4.174 5 20 IIBD CC[C@H](c1ccccc1OC)N(C)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 519556837 HASBDJPLLLDRLR-TZIWHRDSSA-N 439.512 4.126 5 20 IIBD COC(=O)c1ccc(-c2noc(CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)cc1 520290540 RQOFSBHTTKYDEY-UHFFFAOYSA-N 436.346 4.105 5 20 IIBD CC(=O)c1cccc(O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)c1 521021050 ASXDBSPWEIDOGD-MRXNPFEDSA-N 432.432 4.434 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCc3ccc(S(C)(=O)=O)cc3)c([N+](=O)[O-])c2)cc1 524170360 GOSFMFOEVQVTIR-UHFFFAOYSA-N 439.493 4.171 5 20 IIBD CC(C)c1noc2nc(-c3ccco3)cc(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)c12 524623163 CTXWFTOLWYFNOQ-UHFFFAOYSA-N 436.424 4.323 5 20 IIBD COc1ccc(OCCSc2nnc(COc3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1 525624119 NIIBMNSZEVKVLN-UHFFFAOYSA-N 437.861 4.390 5 20 IIBD O=C(CN(C1CC1)[C@H]1CCc2ccccc21)Nc1ccc([N+](=O)[O-])cc1Br 533028674 BHJWPFLQUHJQPS-IBGZPJMESA-N 430.302 4.448 5 20 IIBD Cc1cc(C)c(NC(=O)[C@H](C)[S@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c(C)c1 534061165 UQBGAYNNZNOJPE-AZYRPFHASA-N 441.509 4.451 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H](Oc2cccc(Cl)c2)C1 536251783 YDYSRIGGCPUNOE-INIZCTEOSA-N 425.666 4.304 5 20 IIBD CC(C)N(Cc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1)C[C@@H]1CCCCO1 540421716 IWMATKVZKZMUCJ-NRFANRHFSA-N 441.528 4.392 5 20 IIBD CCc1ccc([C@H](NCc2ccc(CN3CCN(C)CC3)cc2)c2ccc([N+](=O)[O-])cc2)o1 541546290 CXBGOVDMXWCWQI-AREMUKBSSA-N 448.567 4.377 5 20 IIBD O=C(Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)Nc1ccc2c(c1)OC1(CCCC1)O2 541780872 VRIZCCVFHYJCIK-UHFFFAOYSA-N 428.832 4.278 5 20 IIBD O=C(NC1CC1)c1ccc(-c2noc(Cn3c4ccccc4c(=O)c4ccccc43)n2)cc1 545626708 IGBUNVOBPXDSRP-UHFFFAOYSA-N 436.471 4.145 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(OC)c(Br)c(OC)c1 546666147 CWYWKAKLGWIIRB-UHFFFAOYSA-N 425.235 4.026 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCO[C@H](c2ccc(F)cc2F)C1 548320306 FACCMHBSBLQZDU-INIZCTEOSA-N 429.326 4.080 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NC[C@H]3CCOC[C@H]3C)c([N+](=O)[O-])c2)c(C)c1 553644834 DIUAUQDHJXPZEZ-IAGOWNOFSA-N 433.530 4.097 5 20 IIBD COC(=O)[C@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1cccnc1 554245576 DHMZOWACLGKGKS-LJQANCHMSA-N 441.827 4.080 5 20 IIBD CC[C@@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)c1cccc(Cl)c1 556520973 QHNUNHMGEZGVBD-OAHLLOKOSA-N 440.681 4.217 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1c2ccccc2CC12CCOCC2 562188653 KLUUCBVMRXOHTC-FQEVSTJZSA-N 445.313 4.110 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(N(CCO)Cc3cccc(F)c3)n2Cc2ccccc2)cc1 563792901 PISZFQJXGMWZQI-UHFFFAOYSA-N 447.470 4.040 5 20 IIBD O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(OC(F)F)c(F)c2)cc1C(F)(F)F 567068700 FGLPPJRYZMXBTO-UHFFFAOYSA-N 430.282 4.155 5 20 IIBD O=C(CN1CCOc2ccc([N+](=O)[O-])cc2C1)N1CCc2sccc2[C@@H]1c1ccccc1 568804106 FXQMLMGNOSAEIR-DEOSSOPVSA-N 449.532 4.025 5 20 IIBD CC[C@@H]1CN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](C)[S@@]1=O 577800511 ZHTVJOBLSLAPPV-PYWWZBFYSA-N 438.553 4.179 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1 583903089 FALBESLKWWFVLH-UYAOXDASSA-N 427.570 4.494 5 20 IIBD Cc1c(C(=O)Nc2ccccc2O[C@H](C)C(F)(F)F)nnn1-c1cccc([N+](=O)[O-])c1 589093888 MWOVAEXHKFBSBU-GFCCVEGCSA-N 435.362 4.066 5 20 IIBD CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccccc1)[C@@H]1CCCc2c1cnn2C 589640481 BSMVUVPTWJMSAB-OAQYLSRUSA-N 443.511 4.149 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)NC3CCN(C(=O)C4CC4)CC3)cc2[N+](=O)[O-])cc1 603058626 ZLHPWMADPIBQSZ-UHFFFAOYSA-N 439.537 4.185 5 20 IIBD O=C(Nc1ccc2nc3n(c(=O)c2c1)CCC3)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 603601986 QWDINMWXNLOGOK-UHFFFAOYSA-N 441.447 4.247 5 20 IIBD O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 603625038 VACBINPPJRWBDA-UHFFFAOYSA-N 434.481 4.243 5 20 IIBD C[C@@H](C1CC1)N(C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1cccc(C(F)(F)F)c1 603964317 DDPSJNQTOXTVLY-LBPRGKRZSA-N 449.385 4.353 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(c2c[nH]c3ccc(OC)cc23)CC1 604473206 QMZFPUZTEBRCKU-UHFFFAOYSA-N 443.525 4.215 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NC[C@H](O)COc3cccc(C)c3)c([N+](=O)[O-])c2)cc1 608974674 XJFMIPTUMUHAPH-FQEVSTJZSA-N 435.480 4.316 5 20 IIBD O=C(Nc1nnc(Cc2ccccc2F)s1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 609375868 QCFNPAMRCRPHKU-UHFFFAOYSA-N 427.461 4.029 5 20 IIBD COC(=O)c1ccc(CCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)cc1 609453116 BPXAZIKLELHZKF-UHFFFAOYSA-N 425.466 4.385 5 20 IIBD COc1cc2nc(NC(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)[nH]c2cc1OC 609570361 CXDMIETULCYEEF-UHFFFAOYSA-N 447.451 4.353 5 20 IIBD CN(C)C(=O)[C@H]1CCC[C@@H](NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 609637060 NBTPSZNUPPDFFM-PZJWPPBQSA-N 447.539 4.184 5 20 IIBD O=[N+]([O-])c1cccc(-n2nc(-c3ccco3)cc2NS(=O)(=O)c2cccc(F)c2F)c1 609831175 GAVWNBAXKHDYEY-UHFFFAOYSA-N 446.391 4.120 5 20 IIBD COC(=O)c1cc(NC(=O)CCc2nc3ccccc3n2-c2ccccc2)cc([N+](=O)[O-])c1 609837509 RKTIFTFQHBZCKR-UHFFFAOYSA-N 444.447 4.292 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCO[C@@H](c2ccccc2)C1 609873862 OKOUZTVNBKRRBW-GOSISDBHSA-N 447.278 4.301 5 20 IIBD Cc1ccccc1COc1ccccc1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 609881583 YQLONSPKLMUABE-LJQANCHMSA-N 432.480 4.204 5 20 IIBD O=C(NCc1cccc(OCc2ccccn2)c1)c1ccc([N+](=O)[O-])cc1Br 610039864 FKWDVCVNEZSPNQ-UHFFFAOYSA-N 442.269 4.261 5 20 IIBD Cn1ccnc(Sc2nc3cc([N+](=O)[O-])ccc3n2-c2cccc(C(F)(F)F)c2)c1=O 610272808 DEMJLVGGWRUASU-UHFFFAOYSA-N 447.398 4.197 5 20 IIBD CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccc4cc([N+](=O)[O-])ccc4n3)cc2)c1C 610653717 DZQQISUVMUUBQD-UHFFFAOYSA-N 445.435 4.066 5 20 IIBD CN(C[C@H](O)COCc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611215893 YBYPZXLWRYODHF-IBGZPJMESA-N 444.553 4.279 5 20 IIBD CC(C)OCCN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 612599668 LULZNCBKOKAOOA-GOSISDBHSA-N 436.306 4.052 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccc(CN2CCCCC2)cc1 644433226 AERSOZYJAUORJL-UHFFFAOYSA-N 439.559 4.457 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1I)c1c(F)cccc1F 726031369 VCKIQTMEBYTAIE-MRVPVSSYSA-N 433.148 4.396 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 729486918 LXINNFFHWHNLEO-NSHDSACASA-N 439.465 4.344 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 729814240 UHIPYRYJDILCLR-LSDHHAIUSA-N 444.484 4.239 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)O[C@H]1CCCN(C(=O)c2ccccc2Cl)C1 732609573 DYLYFVSOUGGBIK-KRWDZBQOSA-N 441.871 4.051 5 20 IIBD C[C@@H](CC(=O)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(C(F)(F)F)cc1 733523813 PRKNGMNRIHADQQ-ZDUSSCGKSA-N 436.386 4.240 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 735289655 LSSLYLMSKZDKCO-UHFFFAOYSA-N 425.329 4.152 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1ccc2ccccc2c1 735353678 APPYOCNGLFVNLY-CQSZACIVSA-N 445.431 4.036 5 20 IIBD C[C@H](OC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)C(=O)Nc1ccccc1 736863554 MIZMJEKVLBKQLB-NSHDSACASA-N 449.250 4.271 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2cc(F)cc(N)c2F)c2ccccc2)c([N+](=O)[O-])c1 738727064 XWHZDUKACJLHEC-FQEVSTJZSA-N 441.390 4.300 5 20 IIBD C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F 738804930 BLBYJDDURZOFQZ-NSHDSACASA-N 428.338 4.113 5 20 IIBD COC(=O)c1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2-c2cccs2)cc1C 742272132 XIOZJWZTPMFUKS-UHFFFAOYSA-N 433.463 4.186 5 20 IIBD CCCCCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 742599205 FHUGMHQWPRASKE-AWEZNQCLSA-N 429.439 4.162 5 20 IIBD CN(C[C@H]1CCCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)OC(C)(C)C 742887092 VFQZCDGRUVBMME-MRXNPFEDSA-N 446.529 4.190 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(Cl)c1 743791899 AYQHGTPEBNTFSK-MRXNPFEDSA-N 445.884 4.406 5 20 IIBD Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)O[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 745440160 XLXOMIPLAGDCKR-GFCCVEGCSA-N 446.822 4.065 5 20 IIBD CCC(C)(C)CC(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 745977791 ZFYXBQHLFFQHLC-GDNBJRDFSA-N 439.921 4.227 5 20 IIBD C[C@H]1[C@@H](C(F)(F)F)OC(=O)N1c1ncccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 746486684 ZWDBWJVIKWHAID-SDBXPKJASA-N 444.753 4.172 5 20 IIBD O=C(OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1cc(-c2ccccc2)ns1 747234549 WIOVHTXXBCNKMF-INIZCTEOSA-N 437.477 4.180 5 20 IIBD Cc1c(C(=O)O[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748948477 CBZLFJOTKSCTRC-OLZOCXBDSA-N 449.847 4.196 5 20 IIBD O=C(Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1)c1cccc(Cl)c1[N+](=O)[O-] 749938852 UZCCIWDXWDFLHP-UHFFFAOYSA-N 448.870 4.397 5 20 IIBD COc1ccc(NC(=O)COC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1Cl 751633142 CZHNFLYZCKZYHR-UHFFFAOYSA-N 445.280 4.184 5 20 IIBD CCOC(=O)N1[C@H](C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC[C@@H]1c1ccc(C)o1 752417302 WDEKWKSXRPNQBV-NXHRZFHOSA-N 429.473 4.344 5 20 IIBD COc1ccc(CN(C)C(=O)[C@@H](OC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C(C)C)cc1 755069952 ZHNLJUPSXIUVCV-VFNWGFHPSA-N 446.475 4.072 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N(Cc1ccccc1)C[C@@H](O)c1cccs1 755758721 HHRJTFAASUGYMO-OAQYLSRUSA-N 448.504 4.218 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 755837151 MOZIQGJNMHBJDC-DOXZYTNZSA-N 429.473 4.172 5 20 IIBD C[C@H](OC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C(=O)Nc1nc(-c2ccccc2)cs1 756765560 IOEZXMHMIXVQFY-LBPRGKRZSA-N 436.449 4.384 5 20 IIBD Cc1ccc([C@H]2C[C@@H](OC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)CCO2)cc1 757516959 XWBJNWSUTNFHME-AZUAARDMSA-N 440.452 4.055 5 20 IIBD CN1CCC[C@@H](COC(=O)c2ccc([N+](=O)[O-])n2C)[C@H]1c1ccc(C(F)(F)F)cc1 757899623 ZBJYJESHMLGFBL-KBXCAEBGSA-N 425.407 4.192 5 20 IIBD Cc1[nH]nc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1-c1cccc(Cl)c1 758421584 QPSTULZTLAHCPP-UHFFFAOYSA-N 427.269 4.401 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 758620004 PLXYVYKAFXPXSO-MAUKXSAKSA-N 442.896 4.237 5 20 IIBD COC(=O)Cc1ccccc1COc1c([N+](=O)[O-])cnc2ccc(Br)cc12 758874052 QJCJFFAKZNITEA-UHFFFAOYSA-N 431.242 4.200 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(F)c(F)cc2Cl)ccc1Br 760362590 QQDCRBGZQBJXQV-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)C1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 760834250 OKVDWOQNYGMILU-HNNXBMFYSA-N 430.505 4.375 5 20 IIBD C[C@@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C(=O)N1CCC[C@@H]1c1cccs1 762999479 OWQMBNIUIVNXNG-CXAGYDPISA-N 434.489 4.368 5 20 IIBD COc1ccc2cc(CN(C)C(=O)COC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)ccc2c1 763409421 ZXICFXSBNIMTGZ-INIZCTEOSA-N 436.464 4.062 5 20 IIBD CCOc1ccc([C@H]2CCCN2C(=O)COC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 763409428 ZXYWTTACNDLVOC-HRAATJIYSA-N 426.469 4.004 5 20 IIBD O=C(c1cc(F)c([N+](=O)[O-])cc1F)N(C[C@@H]1CCCO1)c1ccc(Br)cc1 763425747 HNUJPXWBIOXJDL-ZDUSSCGKSA-N 441.228 4.461 5 20 IIBD CCOC(=O)N(C)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC1 764095440 HVSRBFYFEVTRCT-UHFFFAOYSA-N 435.546 4.322 5 20 IIBD O=C(O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1ccc(OCC(F)(F)F)cn1 764874646 WVCKOUBIHDGMJS-GOSISDBHSA-N 433.342 4.272 5 20 IIBD CCOC(=O)N1CCCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 767928774 XGYWSLSFZYEBNV-UHFFFAOYSA-N 429.498 4.050 5 20 IIBD CC(=O)[C@@H](Cc1ccc(F)c(F)c1F)OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 768738669 LAKWFASEGCPMSY-CQSZACIVSA-N 435.276 4.388 5 20 IIBD CCOC(=O)c1c(C2CC2)csc1NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 770054941 MGYSEYDXYNLQMI-UHFFFAOYSA-N 441.465 4.276 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CN3CCOC[C@@H]3C[C@H](O)c3ccccc3)cs2)c1 770350247 GKHPMAIVXQBVJD-SFTDATJTSA-N 425.510 4.043 5 20 IIBD Cc1c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)csc1Br 772456318 GJDDPIXFZBSAJQ-UHFFFAOYSA-N 433.667 4.176 5 20 IIBD C[C@@H]1Sc2ccc(C(=O)OCc3ccc(Br)c([N+](=O)[O-])c3)cc2NC1=O 773346982 QOWFZIBWJMAQAR-VIFPVBQESA-N 437.271 4.147 5 20 IIBD O=C(Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1ccc(Br)c([N+](=O)[O-])c1 773960130 KORTUOMAHDPYSD-UHFFFAOYSA-N 444.285 4.299 5 20 IIBD CC(=O)c1ccc2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)sc2c1 775090597 SRIXYCKXJGQDNP-UHFFFAOYSA-N 445.400 4.227 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1coc(-c2ccccc2Cl)n1 776438831 BULYHBPPQUGALY-UHFFFAOYSA-N 426.772 4.310 5 20 IIBD CC(C)(C)Sc1cc(C(=O)OC[C@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])ccn1 779209045 SECCCNWCVPEAEG-MRXNPFEDSA-N 443.525 4.342 5 20 IIBD O=C(O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1csc(Cc2cccc(F)c2)n1 780435658 DRXIBKDPZINKMJ-DLBZAZTESA-N 430.461 4.318 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 781016732 HHJIGTNXECMWRF-SANMLTNESA-N 449.551 4.448 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 781744305 TYHUHINOOHCKGX-UHFFFAOYSA-N 449.345 4.279 5 20 IIBD O=C(N[C@H](c1ccc2c(c1)OCCO2)C1CC1)c1cccc([N+](=O)[O-])c1Br 782123459 NIPHLICQMPELRH-SFHVURJKSA-N 433.258 4.010 5 20 IIBD CCc1sc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c(C(N)=O)c1C 784299194 GRQQKIWHVRGQBX-UHFFFAOYSA-N 439.493 4.457 5 20 IIBD Cc1ccc(Br)cc1COC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 784316653 QZIPQMFZQPAPPW-UHFFFAOYSA-N 449.257 4.097 5 20 IIBD O=C1NC2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccc(Cl)cc3)CC2)CO1 784403075 BJIKZEVPKBNRQY-UHFFFAOYSA-N 447.900 4.114 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 785121897 LFOZOMBCEHAQMR-LBPRGKRZSA-N 441.793 4.222 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 785381246 MFZKRCUDGUFNTG-SNVBAGLBSA-N 429.376 4.319 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)Cc2ncc(C)s2)c2ccccc2)c([N+](=O)[O-])c1 787026781 PGZZFSOFZLXLRI-FQEVSTJZSA-N 425.466 4.134 5 20 IIBD O=[N+]([O-])c1cc(Cl)c(OS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1F 796208547 QKRCGAWQGLFOIF-UHFFFAOYSA-N 445.595 4.370 5 20 IIBD COc1c(C(=O)O[C@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)cccc1[N+](=O)[O-] 796308077 CDGHESGQPWNINM-INIZCTEOSA-N 440.374 4.442 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 800143733 KPFZGHIFAOMNRL-JTQLQIEISA-N 426.231 4.341 5 20 IIBD CC(C)(c1ccccc1)[C@@H](OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C(F)(F)F 802125874 KADRPNJNXIKQOX-QGZVFWFLSA-N 445.415 4.064 5 20 IIBD CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 805296966 HEXHTXQXXARGGX-SFHVURJKSA-N 446.548 4.105 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)c2ccc(S[C@H]3CCCCNC3=O)cc2)c1 809046826 PWCPAYVNRSTTPK-VLIAUNLRSA-N 444.509 4.282 5 20 IIBD CCN(C)C(=O)CSc1ccc([C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1 809074633 DQEDEKMEMPLTLR-CQSZACIVSA-N 432.498 4.092 5 20 IIBD COc1ccc([C@@H]2CCN(S(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)C2)cc1 809392497 UBFFZNZBWVYDPO-GFCCVEGCSA-N 431.297 4.088 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2-c2nc(CC(=O)N[C@H](C)c3ccccc3)no2)CC1 809458739 VYMNNGCLFUUTED-QGZVFWFLSA-N 449.511 4.301 5 20 IIBD O=C(NC[C@H](CO)Cc1ccccc1C(F)(F)F)Nc1cccc([N+](=O)[O-])c1Cl 809914949 JBYNFSVNUPNTEJ-LLVKDONJSA-N 431.798 4.240 5 20 IIBD C[C@@H]1CN(Cc2ccc(CNC(=O)Nc3cccc([N+](=O)[O-])c3Cl)cc2)C[C@@H](C)O1 809916422 JPXKMVOXAUYSFX-HUUCEWRRSA-N 432.908 4.179 5 20 IIBD Cc1csc(Nc2ccc(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3F)cc2)n1 811320435 PRRTXMURGXQEMG-UHFFFAOYSA-N 430.417 4.038 5 20 IIBD O=C1CCCCC[C@@H](C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)C1 813416523 PVNAXLLSFHNAGF-IEBWSBKVSA-N 430.501 4.062 5 20 IIBD O=[N+]([O-])c1cc(F)c(S(=O)(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)cc1Cl 821192386 UEANERXPLVVDJI-UHFFFAOYSA-N 448.819 4.391 5 20 IIBD CCCCN1C(=O)C[C@@H](C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)[C@H]1c1ccc(OC)cc1 825487942 JKHTYHMZOLSFLX-QVKFZJNVSA-N 447.438 4.210 5 20 IIBD CNS(=O)(=O)c1ccc(NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 864039779 BMTWYPIMDIWMOX-UHFFFAOYSA-N 431.445 4.046 5 20 IIBD O=C(COC(=O)c1cc(Cl)ccc1Br)Nc1cc([N+](=O)[O-])ccc1Cl 913345348 VCSSSRBCVVBZKL-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD C[C@H](OC(=O)Cc1ccc(-n2cccc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 914976424 RUAYMQQGOUDFRQ-AWEZNQCLSA-N 427.844 4.152 5 20 IIBD COC(=O)Nc1ccc(CNC(=O)COc2ccc([N+](=O)[O-])cc2Cc2ccccc2)cc1 917199875 KCPMNDTVSFFSQW-UHFFFAOYSA-N 449.463 4.059 5 20 IIBD CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2csc([N+](=O)[O-])c2)NC(=S)N1 917878692 ABQMHFUWYGFDNX-CQSZACIVSA-N 442.444 4.107 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCC(c2nc3ccccc3s2)CC1 918299221 KBKXPNJEIUMZJO-UHFFFAOYSA-N 444.900 4.203 5 20 IIBD COc1ccc(/C=C/C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cc1 918637449 LCMSIMPXPFNCPE-XEDBTPMOSA-N 438.480 4.245 5 20 IIBD COc1ccc(COC(=O)[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)cc1[N+](=O)[O-] 918993550 FBMJZOCWDALGLV-WWKNUYBVSA-N 444.528 4.004 5 20 IIBD Cc1cc(O[C@@H](C)C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1Cl 919475860 ZYNREOKUQXMNKU-NSHDSACASA-N 427.240 4.159 5 20 IIBD Cc1ccc(CN(C(C)C)S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])s1 920046331 FDFLAWCURANTOR-UHFFFAOYSA-N 433.349 4.327 5 20 IIBD O=C(c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1)N1Cc2ccc([N+](=O)[O-])cc2C1 1116154865 NBBNNNXBQDTVJG-UHFFFAOYSA-N 425.448 4.362 5 20 IIBD C[C@@H](C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc(F)c(F)c1 1318832079 AKPMFSOWNXGJNW-SECBINFHSA-N 432.301 4.177 5 20 IIBD Cc1c(I)cccc1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 1323611501 BTCBFYXZKWLSSC-UHFFFAOYSA-N 432.164 4.238 5 20 IIBD CN(Cc1ccc(C(N)=O)cc1)C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 1325302250 FOTXVIROMCDUHS-UHFFFAOYSA-N 427.526 4.248 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)NC1(c2ccc(NC(=O)[C@H]3CCC=CO3)cc2)CCC1 1789498017 KQSYBHPCPFWGNH-SINXNMPMSA-N 437.452 4.028 5 20 IIBD C/C=C(\C)C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c4c3OCO4)cc2)CCC1 1790096449 NXXFYGWDKRHCLH-LZWSPWQCSA-N 437.452 4.037 5 20 IIBD Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(O)cc([N+](=O)[O-])c4)cc3)CCC2)n1 1790754881 KFBDKENBDSRUGO-UHFFFAOYSA-N 446.463 4.065 5 20 IIBD O=C(NC1(c2ccc(NC(=O)C3(F)CCC3)cc2)CCC1)c1ccc([N+](=O)[O-])cc1F 1792056723 BMCHANHUSWQSNK-UHFFFAOYSA-N 429.423 4.374 5 20 IIBD Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C3)c(Cl)c1 1803622822 SEJZBTVIGSVAIO-BCDXTJNWSA-N 441.915 4.051 5 20 IIBD CC[C@H](C)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(C)c([N+](=O)[O-])c2)[nH]n1 1815045191 KFXLGARFGMDJBQ-KXBFYZLASA-N 441.532 4.297 5 20 IIBD CCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(C)c([N+](=O)[O-])c2)n[nH]1 1820918466 BAJUIOLDSRXVOW-SFHVURJKSA-N 441.532 4.297 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)C(C)(C)C)[nH]n1 1821283656 UMGPTTRJWOTGMF-MRXNPFEDSA-N 431.468 4.117 5 20 IIBD COc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCC(C)C)n[nH]2)ccc1[N+](=O)[O-] 1821934602 WQFYJLYOQDUZET-KRWDZBQOSA-N 443.504 4.069 5 20 IIBD Cc1occc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1825909822 WJACWVCEZAOXLJ-FQEVSTJZSA-N 443.475 4.182 5 20 IIBD COc1ccc2c(COC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cc(=O)oc2c1 10722751 KZTWUAJIQHABLK-UHFFFAOYSA-N 441.439 4.013 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)Cc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 11122769 HUMDYKOTLDWYTF-UHFFFAOYSA-N 427.240 4.025 5 20 IIBD COc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1[N+](=O)[O-] 11342086 JKVHVWBGXSKOHX-SECBINFHSA-N 446.765 4.460 5 20 IIBD C[C@@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 17893084 QZAZEMPUIYYNBO-LLVKDONJSA-N 444.904 4.356 5 20 IIBD CSc1ccc(C(=O)OCC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 19013550 FCPYNBOMINNSCK-UHFFFAOYSA-N 443.308 4.439 5 20 IIBD CCOC(=O)Cc1csc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)n1 21529721 WUWKBUPAEVRNBH-UHFFFAOYSA-N 440.481 4.021 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)cc2[N+](=O)[O-])C1 22229085 MAQBVVYCZKWRIV-HZPDHXFCSA-N 436.512 4.222 5 20 IIBD CC[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)Nc1ccc(OC)cc1 23204766 CRHPNGUZTKSGAK-QHCPKHFHSA-N 444.487 4.124 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCN(Cc2ccccn2)CC1 32823293 XAHZQMSPZYOYBP-UHFFFAOYSA-N 434.521 4.099 5 20 IIBD O=C(CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)Nc1cc([N+](=O)[O-])ccc1F 36796316 ZTYVNYXNHAEXEF-UHFFFAOYSA-N 449.773 4.180 5 20 IIBD Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)cc1[N+](=O)[O-] 61922639 FWAXGVCRYSQUOF-GRJOEGEGSA-N 441.487 4.255 5 20 IIBD COCCn1c(S/C=C/c2ccc([N+](=O)[O-])o2)nc2sc3c(c2c1=O)CCCC3 106913339 HDRZWZUXZQNCCZ-DHZHZOJOSA-N 433.511 4.247 5 20 IIBD COc1ccc(OC)c(CN2CCN(C(=O)c3cc4ccccc4c4cccnc34)CC2)c1 107747497 YPHCLEIQZASZCU-UHFFFAOYSA-N 441.531 4.363 5 20 IIBD COc1ccc(-c2nc(CC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)cs2)cc1OC 108287193 QWMSZQGTBPDCDH-ZDUSSCGKSA-N 427.482 4.155 5 20 IIBD Cc1nccn1C[C@H](C)CNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 237589525 QDQZYEQHSGXROX-GOSISDBHSA-N 430.512 4.378 5 20 IIBD NC(=O)c1cccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c1 237767890 KBPVXQSPTQXEHS-UHFFFAOYSA-N 430.258 4.006 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@H]2CCN(CC(F)(F)F)C2)cc1 237873259 OLAKPHJJMFBPQO-SFHVURJKSA-N 445.445 4.174 5 20 IIBD Cc1cc(Sc2nnc(-c3cccnc3)n2C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 301110481 MXBMWQSYUDSRBM-UHFFFAOYSA-N 431.481 4.500 5 20 IIBD Cc1cc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)sc1-c1ccc(F)cc1 303690347 LYIFPAJLQKQEBH-INIZCTEOSA-N 426.473 4.492 5 20 IIBD CC[C@@]1(CO)CCCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 426467825 DAIDPHPBJCDYDD-RBBKRZOGSA-N 431.920 4.413 5 20 IIBD Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 428253798 SIHCYPSVZLOQSX-UHFFFAOYSA-N 429.845 4.216 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)CCCC2 430093557 HGNGXNBIZXJQMS-UHFFFAOYSA-N 434.518 4.024 5 20 IIBD COc1cc(NC2CCN(C(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)CC2)cc(OC)c1 432593374 NGTVUHGTOCZFKK-OAHLLOKOSA-N 445.541 4.196 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2C[C@H](c3ccccc3)C(C)(C)C2)cc1[N+](=O)[O-] 434106424 LSTGTMDPRSFZOH-QGZVFWFLSA-N 437.525 4.140 5 20 IIBD C[C@H]1C[C@H](C)CN(CCCNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 436004261 JWMDKYGEQYBZRK-GJZGRUSLSA-N 427.495 4.057 5 20 IIBD CCCN(C(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1)c1cccc([N+](=O)[O-])c1 441485067 KNPHZUQRWZBQSE-KRWDZBQOSA-N 445.541 4.215 5 20 IIBD COc1cccc(O[C@H](C)CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1 444079145 FPILEMXHSPRMEY-CYBMUJFWSA-N 438.430 4.165 5 20 IIBD COc1cc(Cc2noc(C[C@H](C)C(=O)c3ccc(Cl)cc3)n2)c([N+](=O)[O-])c(OC)c1 445817085 ZVDRCIXIZDOJLS-LBPRGKRZSA-N 445.859 4.301 5 20 IIBD CCc1ccc([C@H](NCc2ccc(C)c(S(C)(=O)=O)c2)c2ccc([N+](=O)[O-])cc2)o1 447560263 VKIZKAKSCOSRDK-JOCHJYFZSA-N 428.510 4.341 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CC[C@@H](n2cnc3ccccc32)C1 447682705 JCFFPIIQTJMCJP-LLVKDONJSA-N 427.333 4.445 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Nc2cccc(Br)c2)CC1 447696057 PSLWBQKEFSOQEN-UHFFFAOYSA-N 434.290 4.083 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1nc(-c2cccc(Br)c2)no1 448080076 KGKAKZWMBZYQFY-UHFFFAOYSA-N 446.261 4.346 5 20 IIBD C[C@H]1CCCN(C(=O)C2CCN(c3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)CC2)C1 462490689 BNNAGQNPMKVRPQ-SFHVURJKSA-N 438.528 4.044 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCOC(C)(C)C2)cc1OC 462612836 CUEXABIVTSQEDY-SFHVURJKSA-N 441.528 4.426 5 20 IIBD C[C@H](Oc1cccc(Br)c1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464634949 DSBKSGHILDNQQI-AWEZNQCLSA-N 449.301 4.195 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])NCc1nc2c(s1)C[C@H](c1ccccc1)CC2 466243339 GQEDIFLPIFYUGL-QGZVFWFLSA-N 437.521 4.409 5 20 IIBD Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)c1sc(Br)cc1[N+](=O)[O-] 466798591 AXNCASIVZBBXNZ-UHFFFAOYSA-N 441.694 4.819 5 20 IIBD Cc1sc(S(=O)(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)cc1[N+](=O)[O-] 466964630 LSQUOKWGQXHJPI-HHHXNRCGSA-N 442.584 4.347 5 20 IIBD CCc1cc(=N[C@H](C)c2ccc3c(c2)O[C@@H](CC)C(=O)N3)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 467012216 BZXBUVLATCBNKR-VLIAUNLRSA-N 447.495 4.319 5 20 IIBD O=C(C[C@H]1CCCCCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1cccs1 467064071 LGBFCCXDXXOZKR-QGZVFWFLSA-N 436.555 4.046 5 20 IIBD COc1cc(C(=O)Nc2cc(Br)ccc2NC2CC2)cc([N+](=O)[O-])c1OC 468865921 HIJIDRJJXKJECE-UHFFFAOYSA-N 436.262 4.201 5 20 IIBD Cc1cc(NC(=O)c2cc(C)n(-c3c(F)cccc3F)n2)n(-c2ccc([N+](=O)[O-])cc2)n1 469086269 XACIWYJBBKWXDK-UHFFFAOYSA-N 438.394 4.114 5 20 IIBD COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 470381720 HYOOIJXOQJZYEQ-CYBMUJFWSA-N 430.848 4.100 5 20 IIBD CCC[C@@H]1CCc2ccccc2N1C(=O)c1cc(OC)c(OCCOC)cc1[N+](=O)[O-] 471261326 TYJAQDIVNXQTPP-QGZVFWFLSA-N 428.485 4.390 5 20 IIBD Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)c1 475564876 YGYAOCXIPFEKSE-IBGZPJMESA-N 432.480 4.043 5 20 IIBD COc1cccc(OC)c1S(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 476328997 ANEUWQSWSBDHIF-UHFFFAOYSA-N 428.466 4.008 5 20 IIBD Cc1nc(-c2ccccc2)ncc1C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 479910868 JZLRPEQSRSGWFD-HXUWFJFHSA-N 448.479 4.173 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2cccc(NC(=O)c3cccs3)c2)c1[N+](=O)[O-] 480214778 CVXPIGGZTVEABT-UHFFFAOYSA-N 431.495 4.326 5 20 IIBD COc1ccc(CSCC(=O)N(C)Cc2cc(Br)cs2)cc1[N+](=O)[O-] 483275050 ZVZMNOWMBFFGKX-UHFFFAOYSA-N 445.360 4.319 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(N2CCCCC2=O)c1 484467612 AOSILKTVHLGKLN-UHFFFAOYSA-N 429.498 4.103 5 20 IIBD CCCOc1cc(NC(=O)C(=O)N(C)[C@@H]2CCC(C)(C)C2)c([N+](=O)[O-])cc1OCCC 485237536 GCWLIOLZFNKWDD-OAHLLOKOSA-N 435.521 4.148 5 20 IIBD NC(=O)[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)c1cccc(Br)c1 485392409 GNTFWYDNSTXGIR-SFHVURJKSA-N 445.248 4.197 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N(Cc1ccc(F)cc1)C1CCOCC1 486083431 XZZRGBDKUWVPHB-UHFFFAOYSA-N 443.294 4.379 5 20 IIBD O=C(NCCc1cnn(-c2ccccc2)c1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 486362844 WMFVQGAQMXVDFO-UHFFFAOYSA-N 442.475 4.332 5 20 IIBD COc1ccc(CSCC(=O)N2CCC(Nc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] 486494225 BUELHUHSNHOFLP-UHFFFAOYSA-N 433.505 4.079 5 20 IIBD Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 487491623 QRVPCTNXSQVYRE-UHFFFAOYSA-N 427.411 4.126 5 20 IIBD CCn1cc(-c2nn(C)cc2C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cn1 488987679 VCBRLAPTWQNTQY-UHFFFAOYSA-N 432.440 4.256 5 20 IIBD COc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)c(Cl)c1Cl 497954198 XKTPLFZHYHNLST-INIZCTEOSA-N 449.337 4.347 5 20 IIBD Cn1ccnc1[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(Cl)cc1 498237466 OMABSLXJEOLXGE-MRXNPFEDSA-N 436.802 4.103 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3ccc(CN4CCCC4=O)cc3)cc2[N+](=O)[O-])CC1 500963088 KGQLXMYVQPCSEQ-UHFFFAOYSA-N 436.512 4.206 5 20 IIBD CCOc1cc(C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)c([N+](=O)[O-])cc1OC 501919171 AYKBFELFJMIEJW-UHFFFAOYSA-N 448.903 4.134 5 20 IIBD C[C@H](Nc1ccc(C(=O)N=c2nc(-c3ccccc3)[nH]s2)cc1[N+](=O)[O-])c1ccccn1 502733976 ZUNWJWHKBCQCFK-AWEZNQCLSA-N 446.492 4.356 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCN(c2cncc3ccccc23)CC1 507848491 BCAHUNQQCGNOBW-UHFFFAOYSA-N 430.386 4.124 5 20 IIBD COc1ccc(CNCCC(=O)N2CCCCCC2)cc1OCc1ccc([N+](=O)[O-])cc1 507943070 XDZUOLCDGMSAGZ-UHFFFAOYSA-N 441.528 4.065 5 20 IIBD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)N(C)Cc3ccccc3[N+](=O)[O-])ccc21 509854869 QAHYPGMHXSDDQN-UHFFFAOYSA-N 437.500 4.082 5 20 IIBD O=C(Nc1ncc(Cc2ccc(F)cc2F)s1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 510193819 SEXFGTBBOLEUOT-UHFFFAOYSA-N 441.419 4.358 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)cc2[N+](=O)[O-])C1 512582882 PHYBEBZJFLTUOM-QLFBSQMISA-N 438.484 4.049 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(Cn2cc(Br)ccc2=O)cc1OC 513601869 ASPSTTFUHQYWSP-GFCCVEGCSA-N 425.279 4.001 5 20 IIBD CCOc1cc(NC(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)c([N+](=O)[O-])cc1OCC 513953394 NVGDGDUGTRICJU-SFHVURJKSA-N 446.504 4.252 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(OCC(=O)N[C@H](c2ccc(C)cc2)c2cccs2)c1 514563494 RUQOYCHCJDIUTM-OAQYLSRUSA-N 440.477 4.036 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(CNCc3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)C[C@@H](C)O1 520961267 IIQWPOBJLCYCNV-HDICACEKSA-N 449.507 4.394 5 20 IIBD Cc1csc(C(C)(C)NC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 522612464 YOICTGWKFVZRDN-UHFFFAOYSA-N 431.440 4.025 5 20 IIBD CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)c1 523492685 HLIJOKNCPRBPEF-GFCCVEGCSA-N 434.290 4.272 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N=c1nc(-c2ccccc2Cl)[nH]s1 523890461 VHDPVRBMULGCGZ-UHFFFAOYSA-N 439.280 4.250 5 20 IIBD CCc1nc(C)c([C@@H](C)N(C)C(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])s1 525563142 YUVROLUOOJTFCW-SNVBAGLBSA-N 429.445 4.365 5 20 IIBD Cc1ccc(Oc2ccccc2NC(=O)Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)cc1 533688903 PJHAEINDFVXHHK-UHFFFAOYSA-N 446.419 4.151 5 20 IIBD CC(C)(NC(=O)c1cccc(Cl)c1)c1noc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 534693348 XGWCZMXGTCOBKL-UHFFFAOYSA-N 439.859 4.368 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)N1CCC(n2ccnn2)CC1 535017295 ZCONRTJBRUTAHA-UHFFFAOYSA-N 443.916 4.468 5 20 IIBD Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NCCc1cccc([N+](=O)[O-])c1 535448514 VFSPCCPLHFZNQA-UHFFFAOYSA-N 427.457 4.329 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 537244557 QRFYLRKBGHOIBU-NBGIEHNGSA-N 434.442 4.079 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 538246295 QDINAHIZPLZQKS-UHFFFAOYSA-N 446.504 4.224 5 20 IIBD O=C(Nc1ccc(OC2CCC2)c(F)c1)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 538387795 UWAIXNRDDHEBDQ-UHFFFAOYSA-N 429.433 4.187 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@H](CCC(=O)O)c3ccccc3)cc2[N+](=O)[O-])CC1 539608041 MZGJGVYJIDLVMH-LJQANCHMSA-N 425.485 4.167 5 20 IIBD COc1ccc(CNC(=O)N2CCC(c3cccc(Br)c3)CC2)cc1[N+](=O)[O-] 539733502 UPLIFIJGCNPFTH-UHFFFAOYSA-N 448.317 4.455 5 20 IIBD COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 540480606 PHWXAHLBZGLYAC-NSHDSACASA-N 440.283 4.286 5 20 IIBD COc1cc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc(OC)c1Br 540560385 OKIBTSNPZCDOJN-UHFFFAOYSA-N 432.230 4.175 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CC(=O)O)c1ccc(Cl)c(F)c1 540712195 JWBCIKWAWSCOFC-HWPZZCPQSA-N 426.853 4.200 5 20 IIBD C[C@@H](NC(=O)NC(C)(C)COc1ccc(C(F)(F)F)cn1)c1cccc([N+](=O)[O-])c1 541781871 BHZNZZCPNQDFGU-GFCCVEGCSA-N 426.395 4.226 5 20 IIBD Cc1ccc(-n2cnnn2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 542536466 SHNMBWXTLHNRSB-UHFFFAOYSA-N 438.513 4.414 5 20 IIBD C[C@@H](C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1)c1ccc([N+](=O)[O-])cc1F 542606748 ORRZCWLQULUGAS-XIKOKIGWSA-N 437.265 4.200 5 20 IIBD C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc([N+](=O)[O-])cc1F 543443157 QXWGACMVMVDUTR-OAHLLOKOSA-N 449.504 4.041 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3ccc(Br)cn3)n2)c(Br)c1 545004385 MNXODKBJJXTTBN-UHFFFAOYSA-N 440.051 4.156 5 20 IIBD CC(=O)N1CCC[C@H](c2noc(-c3ccc(Sc4nc(C)cs4)c([N+](=O)[O-])c3)n2)C1 546468353 JKAQHYCYAGCIBB-AWEZNQCLSA-N 445.526 4.287 5 20 IIBD COc1ccc(-c2nc(C)c(-c3nc(Cc4ccc([N+](=O)[O-])cn4)no3)s2)cc1OC 546493598 VMCFWYINJJHFJM-UHFFFAOYSA-N 439.453 4.080 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1CCC(n2ccnn2)CC1 547360322 DRXVOEOXOMPZOW-UHFFFAOYSA-N 443.916 4.468 5 20 IIBD CCn1cc(CC(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)cn1 547711813 AANTVMGERGTSON-UHFFFAOYSA-N 432.839 4.255 5 20 IIBD CC(C)(C(=O)NCCCOC1CCN(Cc2ccccc2)CC1)c1ccccc1[N+](=O)[O-] 551400085 PIEWLKXCKIATIJ-UHFFFAOYSA-N 439.556 4.060 5 20 IIBD CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 551417321 ZSMQPGLSBNXUIZ-LRDDRELGSA-N 426.311 4.017 5 20 IIBD CC(=O)c1cc(Br)ccc1OCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 552136999 ZUYJEUQGKJYIJU-UHFFFAOYSA-N 447.285 4.130 5 20 IIBD O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 552794242 UVUIRFWEWYQOPO-MRXNPFEDSA-N 445.401 4.214 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1 553110880 QBOZRMBOXLXMHI-KDOFPFPSSA-N 446.529 4.106 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)cc1[N+](=O)[O-] 553620642 UWVZELOLJXNMJW-UKRRQHHQSA-N 439.438 4.306 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCSC1 553736846 ZOIFEXWMFKHPFE-KRWDZBQOSA-N 436.537 4.249 5 20 IIBD Cc1noc(COc2ccc(NC(=O)c3cc([N+](=O)[O-])cc(Br)c3C)cc2)n1 555888095 MKXWVMIXWIQXIR-UHFFFAOYSA-N 447.245 4.188 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)Cc1nnc(C(=O)Nc2ccc(Cl)cc2)s1 558732960 YJAOOFUWHJJKJW-UHFFFAOYSA-N 431.905 4.027 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 559036398 WXEYPEYHQSVADK-UHFFFAOYSA-N 430.675 4.195 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NCc1cnc(-c2ccc(Cl)cc2)s1 560142615 PAASMPRKBANFNH-UHFFFAOYSA-N 445.884 4.002 5 20 IIBD Cn1cc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)c(-c2cccs2)n1 566763514 YVVBYNFLRYFVRG-UHFFFAOYSA-N 446.286 4.460 5 20 IIBD COc1cc(Cc2noc(C3(c4ccc(C)c(OC)c4)CCC3)n2)c([N+](=O)[O-])c(OC)c1 570125225 UKWKCIVMTYKTRA-UHFFFAOYSA-N 439.468 4.373 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(Nc2cc(OC)cc(OC)c2)CC1 576077936 HAPXJZXGOYDMSZ-UHFFFAOYSA-N 428.489 4.283 5 20 IIBD O=[N+]([O-])c1ccc(CNCc2c(Br)cncc2Br)c(Cl)c1 580658680 HCLLFRXBJKVQBG-UHFFFAOYSA-N 435.503 4.458 5 20 IIBD Cc1cccc(COc2ccc(CNS(=O)(=O)Cc3ccccc3[N+](=O)[O-])cc2)c1 583663394 CHWZHEOSGSSBHW-UHFFFAOYSA-N 426.494 4.102 5 20 IIBD C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1 603993464 WXUJYGPFHHQWNR-MRXNPFEDSA-N 433.468 4.047 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 608962968 MLEUCTTZCBVWKX-ZMZPIMSZSA-N 443.258 4.408 5 20 IIBD COc1ccc(CC(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)cc1[N+](=O)[O-] 609309900 NSBHHOTWWKWCKF-SFHVURJKSA-N 443.258 4.192 5 20 IIBD O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 609448588 NLXJKRVRFNBLDI-NRFANRHFSA-N 439.516 4.252 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(Oc2cccc(C)c2C)nc1 609658022 FORRBAWXAXZCDZ-UHFFFAOYSA-N 429.454 4.208 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCC[C@@H]1c1cccnc1 609853648 FDMVCJGLHGSOTR-QGZVFWFLSA-N 432.267 4.460 5 20 IIBD CCn1c(SCC(=O)N(C)c2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1 611092150 BFCDQABIAXGHQV-UHFFFAOYSA-N 431.905 4.282 5 20 IIBD O=[N+]([O-])c1ccc2ncnc(NC[C@H]3CCN(c4ccc(Br)cc4)C3)c2c1 611710824 YEXAGKIVPNJAIT-CYBMUJFWSA-N 428.290 4.239 5 20 IIBD CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2NC)CC1 613226778 PXDAPFJCUZSMFH-FQEVSTJZSA-N 439.512 4.226 5 20 IIBD C[C@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cc2c(cc1Br)OCCO2 617703000 USAHYEZZAWJPDK-RYUDHWBXSA-N 435.274 4.109 5 20 IIBD Cc1cc(C(=O)O[C@@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)c(N)c([N+](=O)[O-])c1 727901062 QABXMDDTEOLGMJ-QGZVFWFLSA-N 439.390 4.324 5 20 IIBD Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 727994363 XMEKZZYERLGIAI-SFHVURJKSA-N 435.440 4.494 5 20 IIBD CCc1nc2ccccc2c(C(=O)O[C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1C 728983453 IRGPQUSAEPXQNV-CQSZACIVSA-N 437.452 4.206 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc23)c([N+](=O)[O-])c1 730873870 OGPVBCDZLLVUFD-WOJBJXKFSA-N 434.448 4.432 5 20 IIBD COc1cc(C2(C(=O)OCC(=O)Nc3c(C)cccc3[N+](=O)[O-])CCCC2)ccc1C 731084326 GZKDYHKZEYOHEE-UHFFFAOYSA-N 426.469 4.214 5 20 IIBD Cn1cc(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(-c2ccccc2Cl)n1 731261642 BEHPYFIHQWGYAI-UHFFFAOYSA-N 439.815 4.056 5 20 IIBD Cc1cccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)c1NC(=O)c1ccccc1F 731717204 SNEZVCHGWVWUCE-UHFFFAOYSA-N 436.395 4.334 5 20 IIBD COc1cc(C(=O)NCc2ccc(Br)cc2F)c([N+](=O)[O-])cc1OC(F)F 732026077 NTQHZRTXVGFIQC-UHFFFAOYSA-N 449.179 4.036 5 20 IIBD O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1 732047912 KPLJEDKSUMXNJN-UHFFFAOYSA-N 431.376 4.482 5 20 IIBD CC(C)OC(=O)NCc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 735024621 VVCNWILLCODUEL-UHFFFAOYSA-N 426.473 4.082 5 20 IIBD CC[C@@H]1CCCN(C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 735254987 YTOBOCTVYDMUBJ-MRXNPFEDSA-N 432.498 4.015 5 20 IIBD O=C1CN(Cc2ccc(OCc3ccccc3)cc2)[C@H](c2cc(Cl)ccc2[N+](=O)[O-])N1 740003244 WDCGLSHLEFRDOC-HSZRJFAPSA-N 437.883 4.458 5 20 IIBD Cc1ccc([C@@H](O)CNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)o1 741307320 QQNJWSZUIIRRHO-IBGZPJMESA-N 429.860 4.225 5 20 IIBD O=C(CSc1nc(-c2ccc3c(c2)CCC3)n[nH]1)Nc1cc([N+](=O)[O-])ccc1Cl 741854126 ALEXBMPKQUPCOO-UHFFFAOYSA-N 429.889 4.253 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCC[C@H](O)c2ccccc2)c([N+](=O)[O-])c1 742428012 YCSOMWOGELAEIC-QFIPXVFZSA-N 434.448 4.148 5 20 IIBD CCn1c(-c2ccco2)nn(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1=S 743391505 XLMQCVSCGDXDDW-UHFFFAOYSA-N 429.502 4.103 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3cnc(OCC)c(Cl)c3)CC2)ccc1[N+](=O)[O-] 744202655 AINCNBNFEJFTFW-UHFFFAOYSA-N 449.891 4.266 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@@H]3CSc4ccccc43)CC2)ccc1[N+](=O)[O-] 744203343 HJWSSESSRYEPSR-GOSISDBHSA-N 428.510 4.395 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)CCOc1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1 744731552 OXFDXULFZWNSIJ-DLBZAZTESA-N 436.464 4.326 5 20 IIBD COC(=O)c1ccc([C@H](OC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C(F)(F)F)cc1 747215117 QYMAGSQOOUGZPY-KRWDZBQOSA-N 449.341 4.028 5 20 IIBD Cc1c(C(=O)Nc2ccc(Sc3nncs3)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748624405 QRTHUODUYHLQFO-UHFFFAOYSA-N 431.455 4.375 5 20 IIBD C[C@H]1CC[C@@H](C)N1CCN1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 748794078 QWUGDRWLZKFEGW-OKILXGFUSA-N 434.890 4.262 5 20 IIBD CN(Cc1ccc2c(c1)OCO2)C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 749410883 PXYKZVWREJCGQY-UHFFFAOYSA-N 427.638 4.012 5 20 IIBD COC(=O)c1sc2ccccc2c1S(=O)(=O)Oc1cc(Cl)ccc1[N+](=O)[O-] 751044873 RLBAWTCJQWTVDF-UHFFFAOYSA-N 427.843 4.017 5 20 IIBD Cc1ccccc1[C@H](CC(C)C)NC(=O)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 751277668 KZQYTIJOJURCQG-HNNXBMFYSA-N 429.429 4.100 5 20 IIBD Cc1noc(C)c1COc1ccc(CC(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)cc1 751623713 KRJKHVZIYOYFPW-UHFFFAOYSA-N 437.408 4.206 5 20 IIBD CC(=O)c1ccccc1NC(=O)[C@@H](C)OC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 751635908 QJNUQNCCRSOQTI-GFCCVEGCSA-N 436.873 4.113 5 20 IIBD O=C(N[C@@H]1COc2ccccc2[C@H]1O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 752904642 GIXBZKDPSQWURZ-DYESRHJHSA-N 440.839 4.265 5 20 IIBD O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1CCc2cc(Cl)cc(Cl)c2C1 753099010 CVJQKNNUYHJTKD-UHFFFAOYSA-N 431.279 4.141 5 20 IIBD CN1CCN(CC2(C)CCN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1 754093649 BPNLRCILAUZGBX-UHFFFAOYSA-N 434.890 4.121 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cc(F)cc([N+](=O)[O-])c1Br 754636322 NEMZPLMDZXZXKQ-UHFFFAOYSA-N 440.225 4.157 5 20 IIBD CC(C)Oc1ccc(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1 754983174 ZFTQAYXOHQEQED-UHFFFAOYSA-N 425.254 4.256 5 20 IIBD Cc1cc(F)cc(C(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)c1[N+](=O)[O-] 758464294 DNGBMKIBCDFJEY-UHFFFAOYSA-N 428.464 4.109 5 20 IIBD CC(C)[C@H](OC(=O)c1cccc([N+](=O)[O-])c1N)C(=O)Nc1ccccc1C(F)(F)F 758961409 BINCEGJYWPRFGK-INIZCTEOSA-N 425.363 4.016 5 20 IIBD O=C(Nc1ccccc1)c1ccc(C(=O)O[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 759446093 RCCYUACNGXSJFH-PMACEKPBSA-N 434.452 4.384 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](N[C@H]1Cc2cccc(O)c2C1)c1ccccc1 759705501 RCCAIHBLBVSGLG-JTSKRJEESA-N 437.883 4.391 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc2ncccc2c1 762637982 NYIHYGQJOUADKN-UHFFFAOYSA-N 426.450 4.155 5 20 IIBD COCc1nc(COC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])no1 767743388 SRBKBUCLIBGORG-UHFFFAOYSA-N 435.845 4.286 5 20 IIBD O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 770008257 ULOFOMCVCMFTBY-LLVKDONJSA-N 438.271 4.179 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CN3CCOC[C@H]3C[C@H](O)c3cccs3)cs2)c1 770304247 MDGKFYHXOVQCPG-MSOLQXFVSA-N 431.539 4.104 5 20 IIBD C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 775495643 OGHPHEBOFBEFIG-ZDUSSCGKSA-N 434.518 4.184 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 777378120 PPGZMVBLASZWGK-HNNXBMFYSA-N 437.562 4.474 5 20 IIBD O=C(N1CCC(c2nc(-c3ccccc3)no2)CC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 777984580 XWDKCHBRHWAFAR-UHFFFAOYSA-N 428.395 4.143 5 20 IIBD CC[C@H]1C[C@@H](OC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCO1 779288767 KFKWJDDAMFIUHP-HOTGVXAUSA-N 430.423 4.331 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]1C 779993378 GIBAESQDVWGGJE-GJZGRUSLSA-N 437.562 4.472 5 20 IIBD O=C(Nc1cc(Br)c(F)cc1Cl)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781715750 NTJQVCNXVZAZAU-OAHLLOKOSA-N 442.628 4.282 5 20 IIBD C[C@H]1Cc2ccc(Br)cc2CN1C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781794365 WIFVFIRUHMSEFF-LBPRGKRZSA-N 448.273 4.172 5 20 IIBD Cc1cccnc1C(F)(F)C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 781862091 KBCRDFIYVJQGIM-UHFFFAOYSA-N 427.363 4.248 5 20 IIBD CCc1nc([C@@H](C)NC(=O)Nc2ccc([N+](=O)[O-])c(I)c2)cs1 787808443 GHTNIWLQRQPXTO-MRVPVSSYSA-N 446.270 4.101 5 20 IIBD C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 789039297 VMFYULVJUUTUIO-QGZVFWFLSA-N 440.500 4.277 5 20 IIBD O=C(c1cnc(Br)c(Cl)c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 790569535 UZKIBHVZTAWFCE-OAHLLOKOSA-N 428.695 4.294 5 20 IIBD CC(C)c1[nH]nc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)c1[N+](=O)[O-] 796260409 SYGFWOFBCLOFOG-AWEZNQCLSA-N 438.440 4.418 5 20 IIBD O=C(COC(=O)c1ccc(Oc2ccccc2)cn1)Nc1ccc([N+](=O)[O-])cc1Cl 799554182 LPLNKVMADDFGOH-UHFFFAOYSA-N 427.800 4.231 5 20 IIBD CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 804229831 ZHGKKGOVXLPOPM-SFHVURJKSA-N 435.524 4.202 5 20 IIBD O=C(NC[C@H](NCc1ccccc1)c1ccco1)c1cc([N+](=O)[O-])ccc1N1CCCC1 804275060 VBGKSPQSNKPCPI-NRFANRHFSA-N 434.496 4.049 5 20 IIBD CC(C)[C@H](CNC(=O)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2)c1ccc(Cl)cc1 808978696 ADKALJQYDDSQDM-AWEZNQCLSA-N 449.847 4.097 5 20 IIBD O=C(NC[C@H](c1cccc(Cl)c1)N1CCOCC1)Nc1cccc([N+](=O)[O-])c1Cl 809920376 XWGDFDHDPWWRFR-QGZVFWFLSA-N 439.299 4.097 5 20 IIBD CCCCN(C)c1ccc(NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1 810395798 DWMSCHJIUNGPAX-UHFFFAOYSA-N 449.305 4.171 5 20 IIBD Cc1cc(Cl)c(C(=O)OCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1[N+](=O)[O-] 815405068 IAWQEGYPUIDOJP-UHFFFAOYSA-N 431.876 4.342 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 871590125 FLPYMHDBMKWKIO-UHFFFAOYSA-N 436.409 4.065 5 20 IIBD C[C@H](c1ccccc1Br)N(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 914495922 LRWMDXCOBQVQGX-CQSZACIVSA-N 448.317 4.027 5 20 IIBD O=C(OCc1ccc2ccccc2n1)c1cc([N+](=O)[O-])ccc1I 915279949 ZKTXUATVOOYPNR-UHFFFAOYSA-N 434.189 4.105 5 20 IIBD CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)NC(=S)N1 916192024 MOHXVLMYCRTJGV-NRFANRHFSA-N 449.488 4.391 5 20 IIBD O=C(CCOc1ccc(Cl)cc1Cl)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 917318728 AQCRTRFBALPJAM-UHFFFAOYSA-N 438.223 4.464 5 20 IIBD CCc1ccc(-c2nc(CC(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)cs2)cc1 918017797 HRRVXPNJOPSWHC-UHFFFAOYSA-N 440.477 4.433 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)CCc1ccccc1F)c1cccc([N+](=O)[O-])c1 918637429 KRZVQGKJLDBAKQ-IBGZPJMESA-N 428.460 4.295 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(C)n1Cc1ccccc1 921180544 YADCIHAZELQNHF-INIZCTEOSA-N 439.443 4.385 5 20 IIBD O=C(N[C@@H](C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1)OCc1ccccc1 1319132595 GUHLVUIDYLRWBU-JOCHJYFZSA-N 431.448 4.105 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3cc(O)ccc3F)CCC2)cc1)c1ccc([N+](=O)[O-])o1 1785751072 OBBJTFGSFPZFIJ-UHFFFAOYSA-N 439.399 4.094 5 20 IIBD Cc1[nH]ccc1C(=O)Nc1ccc(C2(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)CCC2)cc1 1788806423 QKZHDVWDFVWMGU-UHFFFAOYSA-N 436.443 4.432 5 20 IIBD Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)C(C)(F)F)CCC3)cc2)cc1[N+](=O)[O-] 1790526055 KIYNNQDCMJLEML-UHFFFAOYSA-N 431.439 4.235 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)NC1(c2ccc(NC(=O)C3(F)CC3)cc2)CCC1 1791151081 YVDXQUBFKZPIJL-UHFFFAOYSA-N 425.460 4.164 5 20 IIBD O=C(Cc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/C1CCCC1 1800113868 ZSRPXPXTJRKITA-RKXKKUEXSA-N 445.947 4.175 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc(Cl)c1)c1cc(F)cc([N+](=O)[O-])c1 1803671914 NGVCVUMHHMHCNQ-BCDXTJNWSA-N 449.841 4.092 5 20 IIBD Cc1c(C(=O)N2CCCC23CN(C(=O)CCc2cccs2)C3)cc(Cl)cc1[N+](=O)[O-] 1845498642 DPAGDLYNECCVCX-UHFFFAOYSA-N 447.944 4.068 5 20 IIBD Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N(C)c2ccccc2)n1 3520592 BCRPLHSOHCRKOB-UHFFFAOYSA-N 443.506 4.331 5 20 IIBD COCCN(C(=O)[C@H](C)Oc1ccc(F)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 14790499 MMQNQFIFKRPHNN-AWEZNQCLSA-N 445.472 4.304 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1cccc(OC(F)F)c1 16014842 AKLHSPOGRGGHFG-UHFFFAOYSA-N 432.383 4.297 5 20 IIBD COc1ccc(CNc2nnc(S[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)s2)cc1 16324122 IDNMGMLXBFWMIX-LBPRGKRZSA-N 445.526 4.186 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2ccc3ccccc3c2)cc1OC 18969392 JWTUCYBRVQNLEV-CQSZACIVSA-N 438.436 4.339 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CSc1ccc2ccccc2c1 20752004 MSJGHLNWOULOFS-UHFFFAOYSA-N 426.450 4.031 5 20 IIBD COc1cccc2sc(NC(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)nc12 23325667 QNXFHJANOGVYFB-UHFFFAOYSA-N 437.481 4.327 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 30338865 IKTSIWMPONUVJO-UWVGGRQHSA-N 434.358 4.091 5 20 IIBD C[C@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C(c1ccccc1)c1ccccc1 46690755 BINNAAHVMPUIIU-KRWDZBQOSA-N 427.464 4.126 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 46864585 YIRCEMNULSUOFO-UHFFFAOYSA-N 449.429 4.124 5 20 IIBD O=[N+]([O-])c1ccc(-c2ncn(C[C@H](O)COc3ccc(Oc4ccccc4)cc3)n2)cc1 58733574 NSYCHQKVEVFYBX-IBGZPJMESA-N 432.436 4.086 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NCc2ccc(NC(=O)c3ccco3)cc2)c([N+](=O)[O-])c1 64113195 RBQYYCDZLHPXCN-UHFFFAOYSA-N 445.435 4.017 5 20 IIBD Cc1ccccc1C1(CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CCOCC1 64113575 SHAYYWZSHWLRJO-UHFFFAOYSA-N 434.496 4.028 5 20 IIBD O=C(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)N(Cc1ccc(F)cc1)C1CCCCC1 72086094 VTINCZWJYADGAM-UHFFFAOYSA-N 437.475 4.354 5 20 IIBD Cc1c(C(=O)NCc2ccccc2Oc2ccccc2)nnn1-c1cccc([N+](=O)[O-])c1 109367573 LSMBGYAXLDRIPQ-UHFFFAOYSA-N 429.436 4.206 5 20 IIBD Cc1nc(C2(NC(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])CCCCC2)no1 115497202 XYFZQKNSDVHWKR-UHFFFAOYSA-N 441.410 4.083 5 20 IIBD CCC[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(=O)N1CCc2sccc2C1 116722363 LQYDTGSMHTXEJO-INIZCTEOSA-N 443.550 4.354 5 20 IIBD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)c3cc(SC)ccc3[N+](=O)[O-])ccc21 216503753 OAFHIQQTZXBJSY-UHFFFAOYSA-N 440.525 4.392 5 20 IIBD C[C@H]1C[C@@H](C)CN(Cc2ccc(CNc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])cc2)C1 301095860 MRNCFPIRLDVQEP-CALCHBBNSA-N 431.558 4.088 5 20 IIBD CC1CCN(c2nnc(Sc3ncc([N+](=O)[O-])cc3Br)n2C2CC2)CC1 301518717 GCQKHDYRQXISLD-UHFFFAOYSA-N 439.339 4.066 5 20 IIBD COc1ccccc1CC(=O)N1CCC(Nc2cc(C)nc3c([N+](=O)[O-])cccc23)CC1 302049238 ZQPHVLAYFIOBJU-UHFFFAOYSA-N 434.496 4.106 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Sc1nnc(-c2cccc3ccccc23)o1 302609413 DSTQYFXVCCFLHF-UHFFFAOYSA-N 427.463 4.353 5 20 IIBD O=C1[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)CCCN1Cc1ccc(F)cc1F 302769468 MJPYSMKWWGJPKF-OAHLLOKOSA-N 427.354 4.078 5 20 IIBD C[C@H]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c2cc(Cl)ccc2S1 303345769 DVLWDUUMNOYXSV-LBPRGKRZSA-N 429.889 4.360 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])Nc1nc(-c2ccc3c(c2)OCCO3)cs1 409665415 MQABBUNMRXGOLB-UHFFFAOYSA-N 429.479 4.220 5 20 IIBD CCOc1ccc(-c2noc(CSCCC(=O)Nc3ccccc3[N+](=O)[O-])n2)cc1 409850552 NDKQTYBPSAJLLY-UHFFFAOYSA-N 428.470 4.306 5 20 IIBD O=C(NCc1ccccc1OCC(F)(F)F)c1ccc(Br)cc1[N+](=O)[O-] 429841403 XAAJBCZKFBLDQW-UHFFFAOYSA-N 433.180 4.228 5 20 IIBD COc1cccc([C@@H](CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)N2CCCC2)c1 435828559 SRKVLJLJZHZFKR-RUZDIDTESA-N 441.531 4.257 5 20 IIBD C[C@H]1C[C@@H](C)CN(CCCCNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 436013259 YDJMOOVOAVKIEN-IYBDPMFKSA-N 441.522 4.447 5 20 IIBD CCOCCOc1ccc(Br)cc1NC(=O)c1cccc(OC)c1[N+](=O)[O-] 436026770 KXLIXTZAEMNHNN-UHFFFAOYSA-N 439.262 4.034 5 20 IIBD CCN(CC)C(=O)c1ccc(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1 436101310 OFHBZCGJVGFXLS-UHFFFAOYSA-N 445.494 4.232 5 20 IIBD O=C(Nc1cccc(CCC(F)(F)F)c1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 440713552 OSUQGNSTXGUVCI-CQSZACIVSA-N 441.431 4.395 5 20 IIBD Cc1ccc(CN(Cc2ccco2)C(=O)c2cc([N+](=O)[O-])cnc2N)c(Br)c1 443053497 XNWAAQLOVAKUJK-UHFFFAOYSA-N 445.273 4.079 5 20 IIBD O=[N+]([O-])c1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc(C(F)(F)F)cc2F)cc1 444205100 KOLHBEVQTPSYCB-HNNXBMFYSA-N 436.408 4.189 5 20 IIBD Cc1nc2c(n1[C@H]1CCN(C(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)C1)CCCC2 444341945 TYBYCOWYXMFJGI-INIZCTEOSA-N 444.510 4.291 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 446002894 NXIZWVOTILGTMN-DLBZAZTESA-N 437.418 4.487 5 20 IIBD C[C@@H]1C[C@H]1[C@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1 460598889 OAFNHFHZAYXDSC-QKAVXHIFSA-N 443.887 4.450 5 20 IIBD Cc1cc(Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)c(C(F)(F)F)cc1[N+](=O)[O-] 461941840 QUYSHBHPEDJMSU-UHFFFAOYSA-N 440.403 4.255 5 20 IIBD Cc1ccccc1[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@H](C)CO1 462413350 BCEDGABNJTXEBM-PXAZEXFGSA-N 445.324 4.361 5 20 IIBD CN1CCC2(CC1)C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1O2 463100691 XNJCKORERUFBAI-QGZVFWFLSA-N 449.429 4.332 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@@H]1CCOc2c(F)ccc(F)c21 463401339 COYXYKRRKKPQPO-CQSZACIVSA-N 431.317 4.215 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 463518307 RBYWMFBXEDMWTI-SAABIXHNSA-N 432.318 4.487 5 20 IIBD COc1cc(CCNC(=O)N2CCC[C@H]2c2cccc(C)c2C)c([N+](=O)[O-])cc1OC 465619441 QSLZYGNUSGXGHU-IBGZPJMESA-N 427.501 4.318 5 20 IIBD C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 467757147 XBXRNGNUNFORNR-RAAJRFSQSA-N 440.490 4.361 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](c1c(F)cccc1Cl)N1CCCC1 468728372 YGIFNFFNKLVRJP-QGZVFWFLSA-N 441.912 4.040 5 20 IIBD CCCc1[nH]nc(C(=O)NCC2(c3cc(C(F)(F)F)ccc3Cl)CC2)c1[N+](=O)[O-] 470320142 XOLQRPYGVPMOEB-UHFFFAOYSA-N 430.814 4.404 5 20 IIBD CC[C@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C1CCOCC1 470673243 NWBMRHKEWLWTDQ-QHCPKHFHSA-N 448.523 4.311 5 20 IIBD COC(=O)[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccc(OC)c(Cl)c1 472247268 DEKVDBHDVVOENK-KRWDZBQOSA-N 434.857 4.116 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 472610196 LBKHFBYUEHUFBK-JTQLQIEISA-N 446.435 4.121 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)cc1 472697251 GLNARMCSRZEYNQ-MRXNPFEDSA-N 432.445 4.092 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 475824268 AHQCKLKMYMYQCE-UHFFFAOYSA-N 430.282 4.155 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1ccn(-c2ccc(F)cc2)n1 478132902 PFFKWPNWJZRIDG-UHFFFAOYSA-N 430.395 4.403 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccc(F)c(NC(N)=O)c2)cc1[N+](=O)[O-])c1ccccn1 478386197 FUUPIQBHCOGCDJ-GFCCVEGCSA-N 438.419 4.045 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCc2cc(Br)cc(F)c21 478435784 VCEVUEJQZZKYRW-UHFFFAOYSA-N 444.054 4.462 5 20 IIBD O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CC=C(c2ccccc2C(F)(F)F)CC1 478903284 CSNZITHZQRRACN-UHFFFAOYSA-N 443.385 4.124 5 20 IIBD CCCCSc1nnc(Sc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])s1 480436112 UZOSRSZZQMWFSH-UHFFFAOYSA-N 435.556 4.454 5 20 IIBD O=C(COc1ccc(Cc2ccccc2)cc1[N+](=O)[O-])Nc1cccc(N2CCCC2=O)c1 481971959 UXNYTNDPHKASPN-UHFFFAOYSA-N 445.475 4.330 5 20 IIBD Cn1cc([C@H]2CSCCN2C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cn1 482398161 AKJUJPQJQPUILP-HXUWFJFHSA-N 440.550 4.410 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC[C@@H]3C(=O)OC(C)(C)C)cc2[N+](=O)[O-])n1 483664069 XNHKGKUIZZVDDH-CQSZACIVSA-N 449.554 4.457 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN(Cc2nc(O)c3c(C)c(C)sc3n2)CC1 485825638 OHLLHFTYGDPDTR-HNNXBMFYSA-N 441.557 4.109 5 20 IIBD Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 485968917 SSBRNBLNIQWSBC-FQEVSTJZSA-N 442.479 4.463 5 20 IIBD CCN1CCN(c2ccc(NC(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)c(C)c2)CC1 487754682 WNWPIKGXCJFOFL-GOSISDBHSA-N 425.533 4.236 5 20 IIBD O=c1c([N+](=O)[O-])cn(Cc2ccnc(-c3ccc(Br)cc3)n2)c2ccccc12 487903950 CWFPKEMJJYKSKB-UHFFFAOYSA-N 437.253 4.178 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)c2nnn(-c3cccc(Br)c3)c2C)cc1[N+](=O)[O-] 488046780 GKMGOJZQIKGGNV-GFCCVEGCSA-N 444.289 4.046 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC(n2ccc(C(F)(F)F)n2)CC1 490964852 VZUBGJJNOLPMPP-UHFFFAOYSA-N 447.211 4.050 5 20 IIBD C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 494427177 FAFHNMNIKCACNI-KBXCAEBGSA-N 436.434 4.248 5 20 IIBD CCC[C@@H]1SCCN1C(=O)c1ccc(C(=O)N2CCS[C@@H]2CCC)c([N+](=O)[O-])c1 499044168 XWOPRBNAYKINGV-ZWKOTPCHSA-N 437.587 4.225 5 20 IIBD CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2c(N)cccc2[N+](=O)[O-])cc1 500140171 LULDTWNVDDQQMZ-UHFFFAOYSA-N 441.465 4.015 5 20 IIBD CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 502478489 MXDHVMRPHSUJNR-BXKMTCNYSA-N 433.508 4.309 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(CN3CCSCC3)cc2C)cc1OC 502709603 AEZWYZMOHCWXSB-UHFFFAOYSA-N 445.541 4.112 5 20 IIBD COc1cc(C(=O)N(C[C@@H]2CCCO2)c2ccc(Br)cc2)ccc1[N+](=O)[O-] 508767228 ZNWVOQOGLQEBSK-INIZCTEOSA-N 435.274 4.192 5 20 IIBD COc1ccc([C@@H](C)NC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])cc1 509930234 PGXBDRMJSFMOGD-CYBMUJFWSA-N 443.481 4.139 5 20 IIBD O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)c1 510460465 MSQMYQPZLAWGNK-MSOLQXFVSA-N 428.432 4.369 5 20 IIBD Cc1nc(CN2CCN(Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)CC2)oc1C 513435273 RZPDSPCQDMEDEF-UHFFFAOYSA-N 435.528 4.285 5 20 IIBD Cc1ccc(CN[C@H](c2ccc([N+](=O)[O-])cc2)c2nccn2C)c(OC[C@@H]2CCCO2)c1 513713872 UZOQDUPREWHTBZ-JTHBVZDNSA-N 436.512 4.074 5 20 IIBD COc1ccc([C@H](Cc2ccc(F)cc2)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 515226353 SXOQYPYFRUBHJN-QHCPKHFHSA-N 437.471 4.279 5 20 IIBD Cc1ccc(NC(=O)COc2ccc(CCNC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1 516659914 UFEDCENCUFPHQN-UHFFFAOYSA-N 448.479 4.285 5 20 IIBD O=C(c1ccccc1OC(F)F)N1CCC[C@@H]1c1nc(Cc2ccccc2[N+](=O)[O-])no1 518253596 FOMJTCCMDOIGKP-MRXNPFEDSA-N 444.394 4.147 5 20 IIBD C[C@@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccc2c(c1)CC(=O)N2 518271018 CAZJKTVRBNGPSE-OAHLLOKOSA-N 430.464 4.193 5 20 IIBD NC(=O)c1ccc(CN[C@@H](c2ccccc2)c2ccc(Br)cc2)c([N+](=O)[O-])c1 518917043 RSIDMZGYHYEZJW-FQEVSTJZSA-N 440.297 4.335 5 20 IIBD COc1ccc(CC(=O)Nc2nc(C)c(Cc3c(F)cccc3F)s2)cc1[N+](=O)[O-] 519514755 CRUITBMMNFSORY-UHFFFAOYSA-N 433.436 4.419 5 20 IIBD O=C(Nc1cc(C2CCCCCC2)[nH]n1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 524571951 AGTYSISKOLALRN-HNNXBMFYSA-N 431.518 4.061 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCSc2ccc(C(F)(F)F)cc21 531577172 CLNLHRNYQMVIMY-UHFFFAOYSA-N 426.372 4.137 5 20 IIBD COc1cc(CNc2ccn(Cc3ccncc3)n2)c([N+](=O)[O-])cc1OCc1ccccc1 532172446 XFHKXARUSFOOED-UHFFFAOYSA-N 445.479 4.434 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)n(C)n1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 533063180 ALNXDXDBTQFYIU-UHFFFAOYSA-N 440.475 4.066 5 20 IIBD O=C(NCc1ccccc1)c1cccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 534963554 FITMMHBNCJTMKD-UHFFFAOYSA-N 444.491 4.377 5 20 IIBD Cn1cc(CNc2ccc(CCN3CCSCC3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 536102267 HGUAEANTRHCLIG-UHFFFAOYSA-N 437.569 4.199 5 20 IIBD CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2c1ccc([N+](=O)[O-])c(OC(F)F)c1 537392429 MCKQMLYEBBXHFY-BYICEURKSA-N 431.439 4.468 5 20 IIBD O=C(NCc1ccc(N2CCCCCC2)nc1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 538316229 YYRFMBSFXNUNMN-UHFFFAOYSA-N 431.496 4.362 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C3)cs1 540099582 DKMNGXZWUMISJC-UHFFFAOYSA-N 428.539 4.393 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 540239481 COEKZVDRDFDGFP-VBHSOAQHSA-N 436.306 4.494 5 20 IIBD CS(=O)(=O)c1ccc(Oc2ccc(Nc3ncnc4cccc([N+](=O)[O-])c34)cc2)cc1 544410469 LVXPGSOUWQJQAS-UHFFFAOYSA-N 436.449 4.477 5 20 IIBD CN(CC(C)(C)C)C(=O)c1cccc(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)c1 546380706 HVCLQADVOPEVEZ-UHFFFAOYSA-N 437.500 4.418 5 20 IIBD CN(C)CCOc1ccc(-c2noc(-c3ccc([N+](=O)[O-])cc3Br)n2)cc1 547000201 NATVFURHVZQGDL-UHFFFAOYSA-N 433.262 4.015 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(c2nc([C@H]3CCCC[C@H]3C)no2)CC1 547102414 MTZXWAGFFOMXTD-KDOFPFPSSA-N 448.545 4.148 5 20 IIBD CCC[C@H](NC(=O)c1ccccc1)c1noc(-c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)n1 547194361 ANRJUQWYWUEQLP-IBGZPJMESA-N 432.440 4.102 5 20 IIBD CC(C)(C(=O)Nc1cccc(NC(=O)CCN2CCCCC2)c1)c1ccccc1[N+](=O)[O-] 550899530 ZFDXPMSWVPVHTD-UHFFFAOYSA-N 438.528 4.326 5 20 IIBD O=C(NCCn1ccc2cc(Cl)ccc21)c1sc(Br)cc1[N+](=O)[O-] 552252981 GYELRDJOZSVDGB-UHFFFAOYSA-N 428.695 4.457 5 20 IIBD CCCN(C)[C@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1ccc(Cl)cc1 553241752 QXEZYGQNTICLQU-GOSISDBHSA-N 425.938 4.147 5 20 IIBD O=C(Nc1ccc2nc(C(F)F)sc2c1)c1cccc([N+](=O)[O-])c1N1CCOCC1 553655342 NWSFKUOFPGULLH-UHFFFAOYSA-N 434.424 4.231 5 20 IIBD CCC(CC)(CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)OC 556504340 IAJWWEYBSMKWLI-UHFFFAOYSA-N 437.543 4.067 5 20 IIBD Cn1cc(CN2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 561960977 AYZMHLNQCCFMCT-RUZDIDTESA-N 431.540 4.093 5 20 IIBD Cc1cc(OCc2nc(CC(=O)Nc3ccc(Cl)cc3Cl)no2)ccc1[N+](=O)[O-] 564736072 XVPZSTFZAOMBMJ-UHFFFAOYSA-N 437.239 4.353 5 20 IIBD O=C(N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1cc([N+](=O)[O-])cc2c1OCCO2 576737857 QVAJOMGGHSRXEO-OAHLLOKOSA-N 448.300 4.001 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)Nc3nncn3-c3cccnc3)cc2[N+](=O)[O-])cc1 579879860 WNXKRWXPVMJVNW-UHFFFAOYSA-N 432.465 4.282 5 20 IIBD CCC(C)(C)OCc1cccc(NC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1C 580794973 ZJRWQZQDDXOMBM-UHFFFAOYSA-N 427.501 4.285 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 589559599 DBXQGQVNVRQVLH-UHFFFAOYSA-N 444.366 4.048 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 608940488 HHPZLNOOMZBCRK-LBPRGKRZSA-N 425.466 4.289 5 20 IIBD CCOc1ccc(Br)cc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 609065698 QNWIIIJFAXJCLZ-UHFFFAOYSA-N 431.246 4.194 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)cc1OC 609694120 RSFJRKNVYOHBSV-SSEXGKCCSA-N 434.514 4.302 5 20 IIBD C[C@H](SCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(=O)Nc1ccccc1Cl 609770570 BFYHFCJPZPCBHQ-LBPRGKRZSA-N 435.889 4.307 5 20 IIBD CCN1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 609784106 XTCOZOFEQMDGTO-UHFFFAOYSA-N 437.327 4.225 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(N2CCC[C@H]2c2cccc(N(C)C)c2)c([N+](=O)[O-])c1 609802875 XHSSOEJQXQDJHX-FQEVSTJZSA-N 446.573 4.033 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 609841815 QPHDUXGZRYJKEW-CYBMUJFWSA-N 434.909 4.243 5 20 IIBD COc1cc(CCc2cc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)n[nH]2)cc(OC)c1 609887324 TXHOECJIIOWZLB-UHFFFAOYSA-N 430.848 4.026 5 20 IIBD C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 609913044 STYBBDDZSBBABX-ZDUSSCGKSA-N 445.932 4.231 5 20 IIBD COc1cc(CCc2cc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)n[nH]2)cc(OC)c1 610066207 XRHKWWPZQWQOSN-UHFFFAOYSA-N 438.484 4.037 5 20 IIBD COc1cc(CCNC(=O)N(Cc2ccc(C)c(C)c2)C2CC2)c([N+](=O)[O-])cc1OC 610144148 JAJKFRHGQXZHDL-UHFFFAOYSA-N 427.501 4.146 5 20 IIBD Cc1ccc(NCCCNC(=O)N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 610643300 ZWASCWIETCWUAU-VXGBXAGGSA-N 442.360 4.087 5 20 IIBD O=C(CCNC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] 619705884 RRHNTWRXUOMJHL-QWRGUYRKSA-N 427.345 4.423 5 20 IIBD CCN(CCOC)c1cccc(CSc2nc3cc4ccccc4cc3c(=O)n2C)n1 685566149 JZUGNJJUEPWQQX-UHFFFAOYSA-N 434.565 4.247 5 20 IIBD CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)OC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] 725938432 YUTBFBHYGVTMLW-JTQLQIEISA-N 432.335 4.006 5 20 IIBD COc1ccc(CN2C[C@H](C(=O)OCc3nc4ccccc4c4ccccc34)CC2=O)cc1 726681058 JOLHARYMZCOFBR-LJQANCHMSA-N 440.499 4.489 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccccc2NCc2ccccc2)c([N+](=O)[O-])c1 726831528 SNELFZRYHNDZQU-INIZCTEOSA-N 449.463 4.400 5 20 IIBD Cc1cc(C)nc(Sc2ccc(NS(=O)(=O)c3cc(F)ccc3[N+](=O)[O-])cc2)n1 729666065 ODPUVJVGXAZPSU-UHFFFAOYSA-N 434.474 4.093 5 20 IIBD COc1ccc(C(=O)N2CCC(C(=O)OCc3ccccc3[N+](=O)[O-])CC2)c2ccccc12 732659136 KPJXSQFYIFLYDN-UHFFFAOYSA-N 448.475 4.352 5 20 IIBD Cc1ccc(OC(=O)CCC[S@](=O)c2ccc(Br)cc2)c([N+](=O)[O-])c1 735207383 PNTHCCUZPWIIHT-VWLOTQADSA-N 426.288 4.159 5 20 IIBD CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Oc1cc([N+](=O)[O-])c(Cl)cc1C 735643943 KFMDTHIMWMCRSC-BFUOFWGJSA-N 430.888 4.462 5 20 IIBD COc1ccccc1/C=C(\C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 735822171 SFVKLNQMCUGSRF-AHFVYKFHSA-N 444.491 4.252 5 20 IIBD COC(=O)C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)c1ccc(C(C)(C)C)cc1 737715392 MJCKJCYHSVVBSH-SFHVURJKSA-N 443.456 4.143 5 20 IIBD O=[N+]([O-])c1ccc(/C(O)=C(/C(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)[n+]2cc(O)cc(Cl)c2)cc1 738014253 QWVWZVGIXIMIJR-XAYKYTGQSA-O 446.936 4.231 5 20 IIBD C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F 738804929 BLBYJDDURZOFQZ-LLVKDONJSA-N 428.338 4.113 5 20 IIBD Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Br 740423769 WEDCYHKTTQFWGD-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC[C@@H](O)c1ccc(Cl)cc1Cl 740482865 GISXAKSTALHPIW-GOSISDBHSA-N 426.300 4.257 5 20 IIBD COc1cc(CN(C)CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(SC)cc1OC 741251094 IVMVBAYQESHYRB-UHFFFAOYSA-N 439.921 4.058 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1[N+](=O)[O-] 742027249 NVZZAHHYIPFPCY-UHFFFAOYSA-N 435.458 4.157 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2ccccc2NC(=O)c2ccccc2)cc1[N+](=O)[O-] 742029062 XOBAWLJIUZKFKD-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD CC(=O)c1ccc(O)c(CCOC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 744842995 SLUVEDALWHXDEN-HNNXBMFYSA-N 449.463 4.471 5 20 IIBD CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)c1 745116333 JKBWUZIXBYCKIX-UHFFFAOYSA-N 433.848 4.208 5 20 IIBD CCc1ccc([C@@H](NC(=O)COC(=O)Cc2cccc([N+](=O)[O-])c2)c2cccs2)cc1 745334157 FCWSRDZIOMROKZ-HSZRJFAPSA-N 438.505 4.210 5 20 IIBD COC(=O)c1cc(Br)ccc1OC(=O)c1cc(SC)ccc1[N+](=O)[O-] 747383985 FULWOZQJWBZFCD-UHFFFAOYSA-N 426.244 4.085 5 20 IIBD Cc1csc(Sc2ccc(C(=O)O[C@H]3CCCN(C(C)C)C3=O)cc2[N+](=O)[O-])n1 748160817 UGXUAPSIKNRKRT-HNNXBMFYSA-N 435.527 4.067 5 20 IIBD O=C1NC[C@@H](CSc2nc3cc([N+](=O)[O-])ccc3n2-c2cccc(C(F)(F)F)c2)O1 749213536 WQFQJCUYLYUUGD-ZDUSSCGKSA-N 438.387 4.153 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](c3ccccc3Br)C2)c1 750761676 PGOGRQJAVZPNPW-QGZVFWFLSA-N 437.315 4.293 5 20 IIBD Cc1cc(Cl)ccc1NC(=O)COC(=O)c1ccc(Br)cc1[N+](=O)[O-] 750963017 HEZUAQDIEPTZNM-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD COc1cc(C(=O)OCC[C@H]2CCOC2=O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 754065158 DPOZLWCAXBIQEZ-GFCCVEGCSA-N 435.816 4.159 5 20 IIBD CC(C)[C@H](OC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)NCc1ccccc1F 754988293 LWQAHOSJASCEMP-KRWDZBQOSA-N 426.803 4.024 5 20 IIBD COc1ccc(OC(F)F)c(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c1 754991062 YKECUYLZELXVDP-UHFFFAOYSA-N 435.152 4.359 5 20 IIBD COc1cccc(CN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C2CCC(O)CC2)c1 757262524 NXVZDEWQNLANGU-UHFFFAOYSA-N 447.919 4.272 5 20 IIBD Cc1cccc(Cl)c1NC(=O)COC(=O)c1ccc(Br)c([N+](=O)[O-])c1 757668440 XLSNCSBSKGYBEW-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD CC(=O)N(c1nc(COC(=O)c2cccc([N+](=O)[O-])c2N)cs1)c1cccc(C)c1C 758954779 CQTUFYJWNIBCNZ-UHFFFAOYSA-N 440.481 4.292 5 20 IIBD N=C(NOCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1CN1CCCCC1 760351317 PFCAJUWYJHTYEN-UHFFFAOYSA-N 435.484 4.282 5 20 IIBD CN(C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccccc1Cl 760786773 BRBBHRXYUFHZLO-HNNXBMFYSA-N 426.698 4.043 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC(c2ccccc2C(F)(F)F)CC1 761933122 LWFIHTNBKRYLHU-UHFFFAOYSA-N 432.395 4.321 5 20 IIBD Cn1ccc([C@H](NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c2ccc(Cl)cc2)n1 762488747 YGKHEFWUMZJOEZ-QGZVFWFLSA-N 449.692 4.264 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1c1noc(-c2ccc([N+](=O)[O-])cc2Br)n1 763341873 ZBPSWXKATLZWOZ-ZDUSSCGKSA-N 439.266 4.479 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)OCCCc2nc(C)no2)cc1[N+](=O)[O-] 763849966 RVJGQNYFCDOIAT-UHFFFAOYSA-N 441.465 4.029 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)CCCCCO[C@H]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1C 766613996 NCIHTBQBMCVFQM-QAPCUYQASA-N 440.562 4.172 5 20 IIBD Cc1cc(C)n(-c2ccc(CC(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)cc2)n1 770322081 FDGCTDHEWXBZLU-UHFFFAOYSA-N 429.274 4.341 5 20 IIBD O=C(Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)c1cccc(Cl)c1[N+](=O)[O-] 772223209 PKLIUGCZSOHPQX-MRXNPFEDSA-N 425.876 4.144 5 20 IIBD CCc1nc2ccccc2n1[C@H]1CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 773188603 ONVSUIMQYCJMSM-SFHVURJKSA-N 444.495 4.170 5 20 IIBD CCc1ccccc1NC(=O)[C@@H](C)OC(=O)c1sc(Br)cc1[N+](=O)[O-] 773613058 NRTUZJYZLVUFMG-SECBINFHSA-N 427.276 4.165 5 20 IIBD CC(C)(C)OC(=O)NCCc1ccc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 774160503 HMVIJUXFRQZEJR-UXHICEINSA-N 443.548 4.132 5 20 IIBD O=C(Oc1ccc(-c2noc([C@H]3CCCO3)n2)cc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 777982890 OEYWZFWMRMTTBM-MRXNPFEDSA-N 431.351 4.194 5 20 IIBD O=[N+]([O-])c1cccc(F)c1OS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 778074070 WGEYYXAZMSFOPL-ZDUSSCGKSA-N 445.852 4.103 5 20 IIBD COc1ccc2c(COC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)cc(=O)oc2c1 781268600 ORDLCAYEGUPFSF-UHFFFAOYSA-N 427.412 4.153 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC1(c2cccc(Br)c2)CC1 781650086 XZWCDVWLDGAFGO-UHFFFAOYSA-N 434.246 4.004 5 20 IIBD CC(C)(NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1Br 781768618 ROEOMYMNKNKOFL-UHFFFAOYSA-N 436.262 4.250 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(N[C@H](CCO)c3ccccc3Br)CC2)cc1 781923307 LWXZYKPGFLQCBG-HXUWFJFHSA-N 434.334 4.039 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 782361541 LRUZUBTUUBPHJA-CYBMUJFWSA-N 445.522 4.449 5 20 IIBD Cc1ccc(-c2nc(C)c([C@@H](C)OC(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)s2)cc1 782609163 VHBDTNSEUVVSDA-OAHLLOKOSA-N 439.493 4.369 5 20 IIBD CN1CCCC12CCN([C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)CC2 784253588 CKUNCJRZZIWDMY-NRFANRHFSA-N 442.947 4.488 5 20 IIBD CC(C)c1ccc(C(=O)OCc2nnc(-c3ccc(Br)o3)o2)cc1[N+](=O)[O-] 784255719 CILIELGCQHSILX-UHFFFAOYSA-N 436.218 4.481 5 20 IIBD C[C@@H](OC(=O)c1cc(F)c(F)cc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 785594069 UUDKCOIYXBKNKD-SSDOTTSWSA-N 436.264 4.215 5 20 IIBD COc1cc(CNc2cccc(Br)n2)c([N+](=O)[O-])cc1OCC(F)(F)F 785718879 MKVXQNYRXXCFBS-UHFFFAOYSA-N 436.184 4.314 5 20 IIBD COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(OCC2CC2)c1 788210563 UECDVNXJHQIBQC-LBPRGKRZSA-N 448.859 4.230 5 20 IIBD C[C@H](OC(=O)c1ccnc(Oc2ccc(F)cc2F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 789051378 DFAPXRRQIVDRQD-LBPRGKRZSA-N 443.362 4.244 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(COC(=O)[C@H]2CCC(=O)c3cccn32)cc1OC 789225883 BNKNOGRCIRTENO-RHSMWYFYSA-N 430.457 4.091 5 20 IIBD CC(C)c1c(NS(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])cnn1-c1ccccc1Cl 790420116 DDZKRZSZVICXDP-UHFFFAOYSA-N 438.868 4.497 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCN(Cn3ncc4cc([N+](=O)[O-])ccc43)CC2)CC1 790449339 AENFLESKBFVYKV-UHFFFAOYSA-N 429.521 4.015 5 20 IIBD C[C@H]1C[C@H]1c1ccc(CNC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)o1 790674346 RYICKVONBBJCPY-SMDDNHRTSA-N 434.290 4.342 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@@H](C)c2cccc(Cl)c2)c(C)c1[N+](=O)[O-] 790829424 IQMDBSJYCGJORD-LBPRGKRZSA-N 427.866 4.155 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)Nc2c(C(C)=O)oc3ccccc23)cc([N+](=O)[O-])c1C 791694292 UMUSNPSTUNZDOQ-CYBMUJFWSA-N 440.408 4.045 5 20 IIBD Cc1nc(C(F)(F)F)ccc1OS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 796225977 DOCBJDDQXNSPJU-UHFFFAOYSA-N 431.175 4.392 5 20 IIBD COc1ccc(NCc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCCC1 796438367 XOVSRMUOAKLFCS-UHFFFAOYSA-N 433.530 4.123 5 20 IIBD C[C@@H](OC(=O)CC(C)(C)CC(=O)c1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 799568044 DUGSSQCQYOJZSM-CQSZACIVSA-N 430.432 4.293 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccccn1)C(C)C 800895974 RYJOIDQZAFLEIK-MRXNPFEDSA-N 439.253 4.030 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 801973578 PNBZOBFAGVDHIT-NVXWUHKLSA-N 444.536 4.003 5 20 IIBD CS[C@@H]1CCC[C@H](NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 806827249 OQTRIZCKMZBRIA-NWDGAFQWSA-N 428.352 4.099 5 20 IIBD COc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c(C)c1OC 807857899 LDGLNZGNPRVSCP-MRXNPFEDSA-N 427.501 4.402 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)c(Cl)cc1Cl 809810307 SLWOKNAIVXGCBE-FZKQIMNGSA-N 445.324 4.348 5 20 IIBD CCc1nc2c(s1)[C@@H](N(C)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)CCC2 809826939 WGKMSMXUZSWNAC-LBPRGKRZSA-N 433.914 4.104 5 20 IIBD O=c1c(Br)nn(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c2ccccc12 809959905 OURTZKXVNQQELG-UHFFFAOYSA-N 429.057 4.422 5 20 IIBD C[C@@H](OC(=O)[C@H]1CCCCCC(=O)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 811384547 FHABICLYJFWYHA-NEPJUHHUSA-N 430.379 4.023 5 20 IIBD COCC[C@H](Cc1cccc(Br)c1)c1nc(CCC(C)(C)[N+](=O)[O-])no1 812812828 UINRTQWUOVMPDI-CQSZACIVSA-N 426.311 4.183 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1ccc2c(c1)C(C)(C)CO2 812831481 OMSRCZXOGOZZAH-UHFFFAOYSA-N 436.468 4.366 5 20 IIBD COC(=O)c1cc(C)nc2nc(NC(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])sc12 812990484 MZYZWPQEXABFHJ-UHFFFAOYSA-N 441.252 4.254 5 20 IIBD Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)nnn1Cc1ccc(C(F)(F)F)cc1 813245702 XQCAVZLABABJAD-UHFFFAOYSA-N 439.781 4.468 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)cc1OC 813580953 PBOCFIMQKQXCOK-CQSZACIVSA-N 441.440 4.300 5 20 IIBD O=C(Nc1nc(CC(F)(F)F)cs1)c1cc(F)cc([N+](=O)[O-])c1Br 819296740 WJSLUWFKTOPJLA-UHFFFAOYSA-N 428.161 4.310 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1-c1nc(C(C)(C)NC(=O)c2cccc(Cl)c2)no1 904596981 DWQWRFFVUHWYDL-UHFFFAOYSA-N 429.864 4.029 5 20 IIBD COc1ccc(-c2nc(C(=O)OCc3nc(-c4cccc([N+](=O)[O-])c4)no3)cs2)cc1 914798138 PSHZKYVRXZPDPE-UHFFFAOYSA-N 438.421 4.134 5 20 IIBD CCOc1ccc([C@@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c2ccccc2)cc1 915282081 ALFRRKXYJQRAIV-DEOSSOPVSA-N 430.464 4.249 5 20 IIBD O=C(Nc1cccc(COCCOc2ccccc2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 916496758 QMDXHDZTRPONGM-UHFFFAOYSA-N 437.408 4.351 5 20 IIBD CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1Cl 917761866 OPPRZSALTGNSJK-UHFFFAOYSA-N 434.836 4.327 5 20 IIBD O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 919440548 XSKWKJHBHFFCKD-OAQYLSRUSA-N 436.395 4.033 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1 919698091 SAZFLXWTABRGBT-LNYGYFNRSA-N 441.915 4.001 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCc1cc(Cl)c2c(c1)OCCO2 920777249 ILDHGPOSHRLCKS-SNVBAGLBSA-N 428.224 4.184 5 20 IIBD C[C@@H](OC(=O)c1ccc(-n2cnc3ccccc32)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 921176013 QCTFOSOICVKKBD-OAHLLOKOSA-N 430.420 4.118 5 20 IIBD COc1cccc(C2(NCc3ccc([N+](=O)[O-])cc3Br)CCOCC2)c1F 1116809969 BNZRVTZYZWQCHU-UHFFFAOYSA-N 439.281 4.301 5 20 IIBD CCc1cccc(C(=O)OC)c1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 1319083959 AQOKUBIAFHPZHH-UHFFFAOYSA-N 426.347 4.137 5 20 IIBD Cc1cccc(-n2nc(C)cc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 1319348685 WEEKOBIQEOFANS-UHFFFAOYSA-N 440.403 4.217 5 20 IIBD Cc1ccc(-n2c(N3CCCC3)nn(CN3Cc4ccc([N+](=O)[O-])cc4C3)c2=S)cc1 1322141251 OHJBVIVFQPYQFH-UHFFFAOYSA-N 436.541 4.193 5 20 IIBD NC(=O)[C@H](NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(Cl)cc1 1345086876 XQLKDBFKIKGDJJ-LJQANCHMSA-N 440.843 4.389 5 20 IIBD O=[N+]([O-])c1cc(F)cc(-c2nnc(-c3ccccc3NS(=O)(=O)c3cccs3)o2)c1 1346615338 ZFUIWUSSOLENBY-UHFFFAOYSA-N 446.441 4.313 5 20 IIBD Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C)c([N+](=O)[O-])cn4)CCC3)cc2)n1 1787323992 QDJNKHLDBGNFFP-UHFFFAOYSA-N 445.479 4.063 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)[nH]n1)c1ccccc1 1820401034 RMHOTYXREZBNDP-NRFANRHFSA-N 447.495 4.257 5 20 IIBD CC(C)/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830623651 YPRROGAEUXJQPB-XTXLJPNXSA-N 431.508 4.179 5 20 IIBD COc1ccc(Cc2nnc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)o2)cc1 11648438 SMGVVIVTDVADNS-LLVKDONJSA-N 448.888 4.350 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ncn[nH]1)c1cccc(C(F)(F)F)c1 14574551 LDSNZFXANHIIPZ-JTQLQIEISA-N 437.403 4.374 5 20 IIBD COc1ccc(CNc2nnc(S[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)s2)cc1 16324123 IDNMGMLXBFWMIX-GFCCVEGCSA-N 445.526 4.186 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)c([N+](=O)[O-])cc1OC 21844869 IQXHLXHTAFRWMS-LBPRGKRZSA-N 436.848 4.066 5 20 IIBD Cc1cc(I)ccc1NC(=O)COc1ccc([N+](=O)[O-])cc1Cl 28451578 IQWQIHMZHBQWMK-UHFFFAOYSA-N 446.628 4.179 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NCCc2csc(C)n2)c([N+](=O)[O-])c1 29461658 SOANOQKCBHWRCQ-UHFFFAOYSA-N 446.554 4.230 5 20 IIBD O=C(NC[C@H]1CCCN(Cc2cccs2)C1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 64705817 CVKWDLPFBMFKQM-CYBMUJFWSA-N 440.472 4.291 5 20 IIBD COc1ccc(Cl)cc1-c1n[nH]c(S[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])n1 68915413 SCAOYRUTNVKEIZ-JTQLQIEISA-N 433.877 4.161 5 20 IIBD COC(=O)c1cc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(F)cc1F 97091072 SBEUANBKYKCQQT-UHFFFAOYSA-N 447.316 4.119 5 20 IIBD C[C@H](c1ccc(Cl)cc1)N(C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 105918810 TVKRTTYYORYIEI-GFCCVEGCSA-N 433.917 4.191 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCO[C@H](c2ccc(Br)cc2)C1 109099322 BLUUTAIKQHJODD-IBGZPJMESA-N 448.317 4.068 5 20 IIBD CCOC(=O)c1nc(N(CCc2ccccc2)C(=O)c2csc([N+](=O)[O-])c2)sc1C 117235644 LMXJXPQUFDQPGA-UHFFFAOYSA-N 445.522 4.487 5 20 IIBD COc1cc(CNCC(=O)Nc2ccc(F)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 237120868 LFIRSFITPMRQTO-UHFFFAOYSA-N 439.443 4.050 5 20 IIBD CCc1ccc([C@H](Nc2ncc(C)cc2[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 301434542 JWZLNUMJNDTELF-NRFANRHFSA-N 425.510 4.466 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)cc1Cl 301657911 IINQHYWJAZOHEE-QGZVFWFLSA-N 429.231 4.405 5 20 IIBD O=C(NC1CC1)c1ccc(N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c([N+](=O)[O-])c1 302153445 IGEZZKPSGUNBOD-LJQANCHMSA-N 435.402 4.084 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl 409590889 GSLHBSUDLUBEJA-UHFFFAOYSA-N 441.296 4.256 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(I)c(C)c2)c1 410028063 CKHVUIZTLYVDHO-UHFFFAOYSA-N 442.278 4.160 5 20 IIBD COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 426312128 PRWJFCRJHVZDGD-UHFFFAOYSA-N 430.766 4.082 5 20 IIBD CCOCCOCc1cccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1C 431501538 XYTZPRCHNZAXOM-UHFFFAOYSA-N 437.290 4.471 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC(c2ncc3n2CCCC3)CC1 433274145 UIZLAKLGPZQASR-UHFFFAOYSA-N 435.431 4.141 5 20 IIBD Cc1ccn(C2CCN(C(=O)c3ccc(N4C[C@@H](C)C[C@@H](C)C4)c([N+](=O)[O-])c3)CC2)n1 434037454 QWVRKWLTVGJSRS-CALCHBBNSA-N 425.533 4.059 5 20 IIBD CC(C)c1ccc(CN(C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)C2CC2)cc1 434432003 HLPHAJVWWSNICP-UHFFFAOYSA-N 435.480 4.176 5 20 IIBD CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 436240635 BDZLERVIOGIVIP-UHFFFAOYSA-N 435.474 4.164 5 20 IIBD O=C(NCc1ccc(-n2ccnc2)c(F)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436305650 ITKSYFJNVDOQAZ-UHFFFAOYSA-N 448.404 4.214 5 20 IIBD O=C(NCc1nc(-c2ccncc2)cs1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 436338048 FODPZNSWRDAKJZ-UHFFFAOYSA-N 430.464 4.269 5 20 IIBD COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1cccc([N+](=O)[O-])c1O)CC2 436935994 RKDVRMIWCOYWQD-FQEVSTJZSA-N 440.477 4.167 5 20 IIBD O=C(NCC1(c2ccc(F)cc2)CCOCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437197236 FWDLDHZVBFOIBU-UHFFFAOYSA-N 426.366 4.231 5 20 IIBD Cc1ccc([C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H](C)S(C)(=O)=O)cc1 437347283 MKNMOAVEHMMKEM-AOMKIAJQSA-N 428.510 4.427 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 437510680 DCRJLKUCCFGRBZ-UHFFFAOYSA-N 435.484 4.473 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(NCc2cn(-c3ccccc3)nc2-c2ccccc2)n1 439096755 NACRXDHTYXETAA-UHFFFAOYSA-N 429.436 4.241 5 20 IIBD O=[N+]([O-])c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 439239130 RVQBKZGQXZQNGH-UHFFFAOYSA-N 440.477 4.152 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1(c2ccc(Cl)c(Cl)c2)CC1 439737117 SPJLKARWILAUJQ-UHFFFAOYSA-N 438.267 4.044 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C 443971224 VPSXATSVKZHJDP-UHFFFAOYSA-N 434.880 4.332 5 20 IIBD C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444630742 IHZCMQSOSDIKKS-MRXNPFEDSA-N 430.464 4.146 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H](C)Sc3ccc(NC(C)=O)cc3)n2)c1 445575092 PMYPPLAQICUNNR-GFCCVEGCSA-N 428.470 4.389 5 20 IIBD Cc1c(C(F)(F)F)nn(C)c1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 461196440 OZAQAQCUHMBEEL-UHFFFAOYSA-N 442.341 4.405 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(-c2ccccn2)n1C[C@H]1CCCCO1 461822346 FVKSJZZNYLKNSW-HXUWFJFHSA-N 436.516 4.232 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)cc1[N+](=O)[O-] 462156316 BTXPLYWTAWOSPA-OXJNMPFZSA-N 440.521 4.235 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@](CO)(c3ccccc3)C2)c([N+](=O)[O-])c1 463427546 CIBRDUPBDOSMCV-AHWVRZQESA-N 445.519 4.219 5 20 IIBD Cc1c(Br)cccc1C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 463439621 APTRZMFUJFXKIP-QGZVFWFLSA-N 449.301 4.479 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3nc4cc(Cl)ccn4n3)cc2[N+](=O)[O-])C1 464650974 PKKDJFHVZWLSSQ-BETUJISGSA-N 428.880 4.026 5 20 IIBD Cc1ccc(Cc2cnc(NC(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)s2)cc1C 465024264 DIARGKVIJKHSFK-UHFFFAOYSA-N 439.493 4.211 5 20 IIBD COc1cc(CCNC(=O)c2cccc(NCC(C)(C)C)c2C)c([N+](=O)[O-])cc1OC 465412886 SIWRCENVWIXRIX-UHFFFAOYSA-N 429.517 4.351 5 20 IIBD COc1ccc(N(C)C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1Cl 466909110 HTPBTHUOWNIGMV-UHFFFAOYSA-N 428.876 4.395 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCc2nnc(C(C)(C)C)s2)cc1[N+](=O)[O-])c1ccccn1 467370687 QPGRXSVLOFYHCI-ZDUSSCGKSA-N 440.529 4.242 5 20 IIBD COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br 470577928 YTPOVJTURNPZBB-KRWDZBQOSA-N 441.709 4.399 5 20 IIBD COc1cc(OCC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)ccc1[N+](=O)[O-] 475886582 RKSDCQNOVQAQCT-INIZCTEOSA-N 443.506 4.483 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)cc(N3CCN(C(C)C)CC3)c2)c1 481666628 FVRFBZLMMZNHSY-UHFFFAOYSA-N 428.558 4.408 5 20 IIBD Cc1ccc(-n2ncc(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)c2C(C)C)cc1 481854827 BNMLSLSQLNMVCT-UHFFFAOYSA-N 431.456 4.045 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 481973769 LGLDTUMUOISBHZ-OAHLLOKOSA-N 429.546 4.045 5 20 IIBD CCc1c(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cnn1-c1ccc(Cl)cc1 482719302 GZHVBRVGNRANSA-UHFFFAOYSA-N 436.859 4.434 5 20 IIBD CO[C@@H](c1ccccc1Cl)[C@H](C)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 482762438 OFJFAKSUHMCSGU-YEJXKQKISA-N 429.860 4.068 5 20 IIBD CCOC(=O)c1cnc2c(F)cc(F)cc2c1OCc1cc([N+](=O)[O-])cc2c1OCOC2 484560208 XCNGPNOBBQDTFV-UHFFFAOYSA-N 446.362 4.043 5 20 IIBD COc1ccc(CCN(Cc2ccsc2)C(=O)Cc2cccc([N+](=O)[O-])c2)cc1OC 488339593 OBWYGLJODIZURH-UHFFFAOYSA-N 440.521 4.488 5 20 IIBD CCOc1cc(C(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)c([N+](=O)[O-])cc1OC 489289392 LNTHLTAUYPJTJE-UHFFFAOYSA-N 436.877 4.370 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)nnc1-c1ccc(F)cc1 489678155 WICRLZLJQWSQHS-ZDUSSCGKSA-N 429.477 4.440 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(F)c(OC(F)F)cc1F 490288486 RIYSAVNWWMASRI-UHFFFAOYSA-N 434.367 4.465 5 20 IIBD C[C@H](Oc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)C(F)(F)F 494789049 XPWYNFLATXRCJH-LBPRGKRZSA-N 435.358 4.490 5 20 IIBD O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 498522419 DEGYFDSDLSGHFF-UHFFFAOYSA-N 448.483 4.441 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)N2CC=C(c3ccccc3)C2)cc1[N+](=O)[O-] 501566757 LZGKEIGYZHYAFB-UHFFFAOYSA-N 441.487 4.431 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NCc2ccc(Oc3cccc(F)c3)nc2)c([N+](=O)[O-])c1 502315328 SIVXRNUPKZIWBT-UHFFFAOYSA-N 447.426 4.498 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 502561272 PJZYVGHHPGJMQA-HXUWFJFHSA-N 447.532 4.039 5 20 IIBD COc1cc(C(=O)NCc2ccc(F)cc2Br)c([N+](=O)[O-])cc1OC(F)F 502786339 ZBEDXULODHYKLS-UHFFFAOYSA-N 449.179 4.036 5 20 IIBD CC(=O)NCCN(Cc1ccc(Br)s1)Cc1ccc(Cl)cc1[N+](=O)[O-] 503244733 XTUBLYBKPGDUPL-UHFFFAOYSA-N 446.754 4.211 5 20 IIBD CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 505412661 CBXBFOXBAWSQDF-HXUWFJFHSA-N 446.345 4.195 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 506730941 JSCZYAFRTJEBEQ-UHFFFAOYSA-N 440.525 4.142 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] 506903624 QBLINCJVBXEDAG-NVXWUHKLSA-N 435.402 4.313 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N[C@@H]3CCC[C@@H](C(=O)N(C)C)C3)cc2[N+](=O)[O-])cc1 513360153 YVORIDPHJAVUPQ-QZTJIDSGSA-N 441.553 4.431 5 20 IIBD O=C(Nc1cccc(-c2noc(-c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)n2)c1)c1ccco1 514637301 OHBJAMHLAVUXEV-UHFFFAOYSA-N 442.391 4.343 5 20 IIBD CN(C[C@@H](O)COc1ccccc1C(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 516716727 FKIVAERFRRSZSO-GFCCVEGCSA-N 447.797 4.171 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-])c1ccccn1 518024522 CKIUQPFKUKVPKZ-QRVBRYPASA-N 439.560 4.261 5 20 IIBD Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)C2)cc1 518785859 YFSWOPHEHQIDJQ-QZTJIDSGSA-N 439.516 4.208 5 20 IIBD O=C(CSc1ccccc1C(=O)NCc1cccc([N+](=O)[O-])c1)Nc1ccc(F)cc1 524325976 IEJOTDPSMVUYRO-UHFFFAOYSA-N 439.468 4.395 5 20 IIBD CN(CCc1ccccc1)C(=O)c1ccc(C(=O)N(C)CCc2ccccc2)c([N+](=O)[O-])c1 524353041 IFAHDCUKWDHKMX-UHFFFAOYSA-N 445.519 4.224 5 20 IIBD C[C@@H](C(=O)N1CCc2cc(Br)cc(F)c2C1)c1ccc([N+](=O)[O-])cc1F 527278842 JYBNAQVMQQDNPB-SNVBAGLBSA-N 425.229 4.324 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N(Cc1cccc(F)c1)C[C@H]1CCCO1 532746921 YSGUWGAOBWZRIN-GOSISDBHSA-N 437.265 4.318 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(-c3ccc(CN4CCOCC4)cc3)no2)cc(C(F)(F)F)c1 533007135 CHCPLUBXTFCYHL-UHFFFAOYSA-N 434.374 4.163 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@@H](c1ccccc1Cl)N1CCCC1 534650196 KDCRELVMTHPQRK-NRFANRHFSA-N 426.904 4.225 5 20 IIBD Cc1ccc(Cl)cc1NC(=O)C[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534796784 UJVARAIHSBCFOT-LJAQVGFWSA-N 433.873 4.099 5 20 IIBD CCc1csc(-n2cc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)cn2)n1 534950423 WPGAEKHDLHIDSL-UHFFFAOYSA-N 426.483 4.175 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2ccc(C)cc2s1 535662166 RDCKINHUJYAHKJ-UHFFFAOYSA-N 431.495 4.420 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)[C@@H](C)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 536897668 WJCLEIWSYVCCOI-NSPYISDASA-N 434.290 4.430 5 20 IIBD CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 537287435 XUVWXFDSKSPSFA-UHFFFAOYSA-N 445.523 4.431 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CN3CCN(c4ncnc5ccsc45)CC3)cs2)c1 539830669 PBICEKHEDHADNM-UHFFFAOYSA-N 438.538 4.045 5 20 IIBD C[C@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1nc(-c2cccc(F)c2)no1 543548699 XTVMEVAUQZJQCU-MNOVXSKESA-N 433.827 4.115 5 20 IIBD COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)CCn2cc([N+](=O)[O-])nc2C)c1 544250780 UIOUVWUPNNNDFP-ZJSXRUAMSA-N 434.496 4.256 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccccc1N1CCC(CO)CC1 544276526 DMYVGPSANDWIQK-UHFFFAOYSA-N 435.933 4.188 5 20 IIBD C[C@H](Sc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C)c1nnc(-c2cccc(Cl)c2)o1 545111438 XTHHDYKCNDJEGN-JTQLQIEISA-N 443.872 4.398 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3ccc4cc[nH]c4c3)no2)c(I)c1 547051500 KWXIJWFRCKZYHX-UHFFFAOYSA-N 432.177 4.398 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2Cc2nc(Cc3ccon3)no2)cc1 547128385 BWQWAFQFRLOCRQ-UHFFFAOYSA-N 428.408 4.000 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1ccccc1-c1c(F)cccc1F 549748813 RLZVDCSFYLKVIT-UHFFFAOYSA-N 439.418 4.180 5 20 IIBD CC(C)[C@@H](NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(Cl)cc1 550316422 DXFJAMAQNGZEOL-HXUWFJFHSA-N 429.904 4.253 5 20 IIBD COCCN(C(=O)c1cccnc1OC(C)C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 551096799 ZBBMWSMCOKNAOB-UHFFFAOYSA-N 442.497 4.194 5 20 IIBD O=[N+]([O-])c1ccc(OCCSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)cc1 552978726 SXFKAJBKAZDQOV-LJQANCHMSA-N 444.488 4.343 5 20 IIBD CC(C)[C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Cl)cc1 553225301 MYOXVTJGXWFFMP-IRXDYDNUSA-N 449.960 4.470 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2c2nc(-c3nccc4ccccc34)no2)ccc1[N+](=O)[O-] 554790823 ONSBWGQODOMFDZ-IBGZPJMESA-N 429.436 4.479 5 20 IIBD CC(C)[C@H](NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(Cl)cc1 555886700 VYDSQWASEHMFSE-FQEVSTJZSA-N 429.904 4.253 5 20 IIBD CC(=O)c1cc([N+](=O)[O-])ccc1OC[C@@H](O)COc1ccc(Cl)cc1Br 556026594 HJBVPRRCEMBACW-CYBMUJFWSA-N 444.665 4.032 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 556945436 XTMLJYXGHKVGHG-NRFANRHFSA-N 433.430 4.352 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)c1 558760213 UMQRUJGTIMIOAB-UHFFFAOYSA-N 426.454 4.328 5 20 IIBD Cc1ccc([C@H](C)NC(=O)Nc2ccc(Cl)c(F)c2N2CCOCC2)cc1[N+](=O)[O-] 558845399 URCMYMZVUSSAQN-ZDUSSCGKSA-N 436.871 4.415 5 20 IIBD CN(Cc1cc(Br)ccc1Cl)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 559206637 YRYYFFUOIXJYHD-UHFFFAOYSA-N 427.638 4.012 5 20 IIBD O=C(NCCc1cnc(SC2CCCC2)nc1)c1c([N+](=O)[O-])cccc1C(F)(F)F 564680974 KCKDNYQMQRIKTL-UHFFFAOYSA-N 440.447 4.411 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)CC[C@@H]2c2ccccc2)cc1OC 569049674 ZWPJPQZECXHNFC-VQIMIIECSA-N 428.485 4.242 5 20 IIBD COc1cc(CN2CCC[C@H]3CN(C)CC[C@@H]32)ccc1OCc1ccc([N+](=O)[O-])cc1 570485855 LGDHDAUZUWCCQO-UNMCSNQZSA-N 425.529 4.099 5 20 IIBD C[C@@H]1CN(CCOc2ccc(CCNC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)cc2)C[C@@H]1C 571705573 WIQHMDVEOBHVPP-HSALFYBXSA-N 439.556 4.024 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2ccccc2F)C1 573272259 VZZABGIKITVLSO-AWEZNQCLSA-N 432.473 4.019 5 20 IIBD COCc1nc(Cc2noc(-c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)n2)cs1 574557383 RWEXMGJDPNGWAX-UHFFFAOYSA-N 429.502 4.075 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CCC(O[C@H]2CCOC2)CC1 578002269 NURQYQPFOUVCGY-IBGZPJMESA-N 434.558 4.287 5 20 IIBD CCOc1cc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)c([N+](=O)[O-])cc1OCC 593162184 IMBMRFYHNGDSCC-UHFFFAOYSA-N 439.472 4.112 5 20 IIBD CC(C)c1ccc(OC2CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)CC2)cc1 603814423 JLGQDYJHZCYTMB-UHFFFAOYSA-N 426.469 4.173 5 20 IIBD CCOC(=O)c1cc(C(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)cc([N+](=O)[O-])c1 603982532 QKZFJXFSZJIHER-MRXNPFEDSA-N 449.463 4.237 5 20 IIBD COc1cc([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 604041681 MDIIOAHRKMIMSF-INIZCTEOSA-N 442.493 4.222 5 20 IIBD Cc1nc(-c2cccc(NC(=O)c3ccc(N4C[C@@H](C)C[C@H](C)C4)c([N+](=O)[O-])c3)c2)n[nH]1 604184623 CXBSWOLMTZCMJR-GJZGRUSLSA-N 434.500 4.423 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 608883134 RNLJBVJJTZSETF-UHFFFAOYSA-N 435.362 4.494 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H](c3ccccc3)CC2)ccc1[N+](=O)[O-] 608968194 OSYMRMKFTJLPGL-REWPJTCUSA-N 435.524 4.304 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC(C(=O)OC(C)(C)C)CC3)cc2[N+](=O)[O-])C1 608989652 VDIZIKWRVJSGHE-IAGOWNOFSA-N 445.560 4.271 5 20 IIBD O=C(N[C@@H]1CCCc2occc21)c1ccc(C(=O)N[C@H]2CCCc3occc32)c([N+](=O)[O-])c1 609043669 IFHZOQIJVDFJLG-MOPGFXCFSA-N 449.463 4.396 5 20 IIBD O=C(c1ccc(I)cc1Cl)N1CCc2cc([N+](=O)[O-])ccc21 609055528 HJVKIBXUKOGOHE-UHFFFAOYSA-N 428.613 4.056 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N(Cc1ccc2c(c1)CCO2)C1CCCC1 609064649 JMNNAMXUMJQYMN-UHFFFAOYSA-N 432.480 4.300 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3C)cc1[N+](=O)[O-])c1ccccn1 609185639 FEDHJUVEKWRHHL-HNNXBMFYSA-N 445.479 4.324 5 20 IIBD COc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 609316034 ZCYPFPUAGZGJKC-JOCHJYFZSA-N 433.420 4.099 5 20 IIBD CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 609447267 HEJSIKOVZDBGLI-IERDGZPVSA-N 433.574 4.105 5 20 IIBD O=C(CN(Cc1cccnc1)c1ccccc1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 609826344 OWPMCPNKYNMBEE-UHFFFAOYSA-N 428.452 4.025 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCc2c1cccc2[N+](=O)[O-] 609973354 FQULYMMRWABZKN-JTQLQIEISA-N 425.666 4.367 5 20 IIBD C[C@H]1CN(Cc2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H](C)O1 610041077 PIUAHNSBVHDPEE-KBPBESRZSA-N 448.317 4.219 5 20 IIBD COc1ccc(CNc2ccc3c(c2)C(=O)NCC3)cc1OCc1ccc([N+](=O)[O-])cc1 610911098 RTORSGWJPRWHHI-UHFFFAOYSA-N 433.464 4.080 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 611220670 LBDBUOUZZYXOEE-UHFFFAOYSA-N 444.413 4.120 5 20 IIBD C[C@H](C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1ccc([N+](=O)[O-])cc1F 612473075 FBGPKDBJSYGRGO-JSGCOSHPSA-N 425.382 4.251 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC[C@@H](Cn2cnc3ccccc32)C1 613967557 LDGBQWUFESYRBL-LJQANCHMSA-N 447.539 4.100 5 20 IIBD CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)c1cc(CN2CCOCC2)ccc1[N+](=O)[O-] 619153450 RRZKQCMQKFHKKK-XUZZJYLKSA-N 425.529 4.031 5 20 IIBD Cc1nc(CC(C)C)sc1C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730705495 ZPCGARMQKKROFL-OAHLLOKOSA-N 431.514 4.020 5 20 IIBD COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)c(Cl)c1 730969839 QKUAELUHWRWOLN-UHFFFAOYSA-N 443.809 4.238 5 20 IIBD C[C@H](CC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc(F)cc1 733520040 BWYHQIVWGFFCGM-LLVKDONJSA-N 428.338 4.428 5 20 IIBD CCc1ccc(OC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)c([N+](=O)[O-])c1 734739070 DGGWIYBVQJYZSW-RGEXLXHISA-N 431.408 4.007 5 20 IIBD CC(C)OC(=O)NCc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 735017883 BXMIZTIYIPRWSW-CYBMUJFWSA-N 435.864 4.289 5 20 IIBD O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1cc(C2CC2)nc2ccccc12 735339227 DTKRSWUUKAIVHE-UHFFFAOYSA-N 433.420 4.175 5 20 IIBD C[C@H](OC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)C(=O)Nc1ccc(C(F)(F)F)cc1 735353005 SDGLZKSGDPULAC-JTQLQIEISA-N 449.341 4.051 5 20 IIBD COc1ccc([C@H]2[C@H](COC(=O)c3ccc(Cl)cc3[N+](=O)[O-])CCC(=O)N2C)cc1 735786326 WUHPGZAFXGQHGX-XOBRGWDASA-N 432.860 4.023 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Br)[C@@H](c1ccccc1)N1CCCCC1=O 740580338 LETMIWDIFNRBEH-LJQANCHMSA-N 447.285 4.154 5 20 IIBD O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc(OCC(F)F)c3ccccc23)ccc1F 742026058 WPGFSJBOMZKOQD-UHFFFAOYSA-N 426.372 4.332 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CC[C@H]1c1ccc(Cl)cc1 742323282 KQXHCZQKVPIPQY-ZDUSSCGKSA-N 431.695 4.146 5 20 IIBD Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)O[C@@H](C)C(=O)N2CCCCCC2)n1 744499641 BAFUBMZRNRIEFK-AWEZNQCLSA-N 449.554 4.459 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)NCc1cccnc1 747134919 OORUALGAAXLGHR-OAHLLOKOSA-N 436.493 4.039 5 20 IIBD Cc1cc(C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)c(N)c([N+](=O)[O-])c1 749339757 DLVDZBQNNFMDGC-UHFFFAOYSA-N 440.891 4.376 5 20 IIBD C[C@@H](OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1nc2ccc(Cl)cc2n1C 750222522 PLXRIRAZOPMGNO-GFCCVEGCSA-N 425.832 4.239 5 20 IIBD O=C(COC(=O)c1cccc(Cl)c1[N+](=O)[O-])NCCc1cccc(Cl)c1Cl 750533810 VARJCBLUBBCHQB-UHFFFAOYSA-N 431.659 4.071 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2cn3ccccc3n2)c2ccccc2)c([N+](=O)[O-])c1 753434934 PQCSDNUBGGJVIG-NRFANRHFSA-N 430.420 4.088 5 20 IIBD O=C(COC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)Nc1nc(-c2ccc(F)cc2)cs1 754868694 SWEKMRSZWYXVNZ-UHFFFAOYSA-N 440.412 4.134 5 20 IIBD C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 755032269 ZTYIIOQCWYRHTO-GFCCVEGCSA-N 445.277 4.163 5 20 IIBD O=[N+]([O-])c1ccc(Oc2ccc(-c3noc(-c4cn(Cc5ccccn5)nn4)n3)cc2)cc1 761858792 PMGOULDGGCLDRE-UHFFFAOYSA-N 441.407 4.139 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 762598516 PBCUXEHQIQHSEE-CQSZACIVSA-N 437.512 4.163 5 20 IIBD O=C(Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 764300259 WOVVWNABQALFIF-UHFFFAOYSA-N 444.407 4.062 5 20 IIBD CCN(CC)[C@H](CNC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cccc(OC)c1 764738399 NCOCSKFIXPIMSE-XMMPIXPASA-N 426.561 4.245 5 20 IIBD O=C(Nc1nnc(/C=C\c2ccco2)s1)c1cc(F)cc([N+](=O)[O-])c1Br 765341443 XKLNATGKHLYQRY-ARJAWSKDSA-N 439.222 4.364 5 20 IIBD Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)cc12 768670734 QLULSFHQQUWYJR-UHFFFAOYSA-N 439.424 4.482 5 20 IIBD O=C(COC(=O)c1cc(Br)cc([N+](=O)[O-])c1)Nc1cccc(Cl)c1Cl 770156057 AINYCZRXBSURNI-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD O=C(Nc1ccccc1C(=O)NCc1ccco1)c1cc(Br)cc([N+](=O)[O-])c1 770256644 KRMMIEDLKOMRHL-UHFFFAOYSA-N 444.241 4.133 5 20 IIBD CCCCn1cc(C(=O)OC2CCN(c3ccc([N+](=O)[O-])c(OCC)c3)CC2)c(C)n1 770873428 OXNNCIHVGHZEHS-UHFFFAOYSA-N 430.505 4.124 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 770990742 GORRCUDLPOGPLP-GOSISDBHSA-N 437.265 4.082 5 20 IIBD O=C(Nc1cc(Cl)ccc1C(=O)N1CCCCC1)c1cc([N+](=O)[O-])c2nsnc2c1 771503761 PJCIUMGHLRFCOM-UHFFFAOYSA-N 445.888 4.131 5 20 IIBD Cc1cc(S(=O)(=O)Oc2ccc(NC(=O)c3ccsc3)cc2)cc([N+](=O)[O-])c1F 771750423 FTHMGKYQPSJBHT-UHFFFAOYSA-N 436.442 4.124 5 20 IIBD C[C@@H]1CN(c2ccc(NC3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2F)C[C@@H](C)O1 776852028 JZXIGRJXOGGTHM-IAGOWNOFSA-N 428.508 4.428 5 20 IIBD O=C1/C(=C/NCCc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2C(=O)N1c1ccccn1 777869695 MZOCOTDBWFSXPQ-XMHGGMMESA-N 448.866 4.003 5 20 IIBD O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1cc([N+](=O)[O-])ccc1Br 778003122 BAGVJNXIEOZTEH-JTQLQIEISA-N 442.672 4.159 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2nc(C)sc2-c2ccccc2)c([N+](=O)[O-])c1 778863003 SHTGQTHDZNTFEO-UHFFFAOYSA-N 441.465 4.221 5 20 IIBD CC(C)[C@@H](CNC(=O)COC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccccc1 781260818 ZXDMSQXMOZCBDY-JOCHJYFZSA-N 442.515 4.394 5 20 IIBD COc1ccc(NC(=O)C2=C(C)N(CC3CC3)C(=O)N[C@@H]2c2ccc([N+](=O)[O-])s2)cc1 782248778 YOJDVTSGASKEQT-LJQANCHMSA-N 442.497 4.054 5 20 IIBD COC(=O)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccc2ccccc2c1 783563839 PJWZNNKZUSXFNT-GOSISDBHSA-N 443.253 4.155 5 20 IIBD COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccc([N+](=O)[O-])c(F)c1 783698001 LQVHPWDQMVMQPV-GOSISDBHSA-N 434.420 4.052 5 20 IIBD O=C(OCc1ccc(Cl)nc1C(F)(F)F)c1ccn(-c2ccccc2[N+](=O)[O-])n1 787766170 QQQPECIXEPSCDK-UHFFFAOYSA-N 426.738 4.205 5 20 IIBD CSc1cccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c1 792471706 CHRJUYQHRHEXJL-UHFFFAOYSA-N 439.287 4.183 5 20 IIBD CCO[C@@H](C)c1nc(CN(C)C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cs1 792998019 VBKYHSYZIKNQCU-ZDUSSCGKSA-N 448.545 4.043 5 20 IIBD O=C(NC[C@H]1CCCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1)OCc1ccccc1 794036032 ZXGMOAUYSGDMPJ-MRXNPFEDSA-N 431.876 4.027 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)C1CCC(O)CC1 795646473 WKQMWTOOVOCYJL-KJXMEXGPSA-N 432.860 4.022 5 20 IIBD Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1c1nc(O)c2cc([N+](=O)[O-])ccc2n1 804551626 NGPVPPJCBGJIAY-INIZCTEOSA-N 430.896 4.399 5 20 IIBD C[C@H](OC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(S[C@H]2CCCCNC2=O)cc1 809051719 VTQFWVNRHYPMND-YWZLYKJASA-N 444.509 4.039 5 20 IIBD CC(C)(C)OC(=O)NCC1(COC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 809094800 JOKUJPUKEGDVIR-UHFFFAOYSA-N 433.486 4.180 5 20 IIBD O=C(OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1nc2ccccc2cc1Cl 810576929 USSNOJDWAHSLSR-HNNXBMFYSA-N 439.855 4.258 5 20 IIBD O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(N2CCOC2=O)c1 811220946 WCSDZQDEHFYPFH-UHFFFAOYSA-N 425.422 4.032 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(CCN(C(=O)OC(C)(C)C)C3)CC2)c1 814340035 SQPMASUZTXBTPQ-UHFFFAOYSA-N 435.546 4.180 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(N2CCCOC2=O)cc1 814355041 KBKGHJNCCWEQPJ-GFCCVEGCSA-N 437.374 4.451 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 816998252 HPJXCXJJMZSPJP-PBHICJAKSA-N 435.546 4.178 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)c1 817649833 DVIHOVOEZYGUHW-ZWKOTPCHSA-N 431.533 4.403 5 20 IIBD COc1ccc(CNc2ccccc2O[C@H]2CC(=O)N2)cc1OCc1ccc([N+](=O)[O-])cc1 864039699 JCYIWCTUVVHHTQ-DEOSSOPVSA-N 449.463 4.019 5 20 IIBD CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2cc(Cl)cc(Cl)c2)NC(=S)N1 917880147 WDNJNUFTQZAUNY-INIZCTEOSA-N 437.308 4.333 5 20 IIBD CC1=C(C(=O)OCC(C)C)[C@@H](c2csc([N+](=O)[O-])c2)NC(=O)N1Cc1cccs1 917960501 FUEHLYDRAWMGRL-QGZVFWFLSA-N 435.527 4.458 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cc1OC 918907272 XMGBSISZQKADKJ-LBPRGKRZSA-N 445.403 4.418 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 919447723 WUWUBBZBNFKHNW-HOTGVXAUSA-N 444.484 4.373 5 20 IIBD Cc1cc(C(=O)OCC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc([N+](=O)[O-])c1 920901897 AGGACKUBMRPHGA-UHFFFAOYSA-N 439.493 4.076 5 20 IIBD COc1ccc(-c2nc([C@@H](NC(=O)OC(C)(C)C)c3ccccc3)no2)cc1[N+](=O)[O-] 1116061511 YVQMADAYKIJTKZ-KRWDZBQOSA-N 426.429 4.268 5 20 IIBD Cc1ccc(NCCCNC(=O)N2CCO[C@@H](c3ccc(Cl)s3)C2)c([N+](=O)[O-])c1 1318833788 OFNGSZFZCATBGB-MRXNPFEDSA-N 438.937 4.203 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCCN3c4ccccc4CC[C@H]3C)cc2)c(C)c1[N+](=O)[O-] 1319114749 FRQHDPSNJCKTKF-QGZVFWFLSA-N 447.539 4.028 5 20 IIBD O=C1O[C@@H](c2ccccc2)Cc2cc(C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)ccc21 1319116592 LNEIFXRVRKIAGB-HSZRJFAPSA-N 428.444 4.248 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C1 1323838293 NZHLSCINHDPZLW-OLZOCXBDSA-N 435.912 4.321 5 20 IIBD CN(C[C@H]1CCCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C1)C(=O)OC(C)(C)C 1325490409 YUAFHHCZGOUVOD-CYBMUJFWSA-N 435.912 4.275 5 20 IIBD CCCNc1ccc(C(F)(F)F)cc1NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 1332492736 JTPFGQADTLILHX-UHFFFAOYSA-N 425.363 4.266 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@H]3CC3(F)F)cc2)CCC1)c1cccc(F)c1[N+](=O)[O-] 1789136761 LEMWIUKJYHIPOT-OAHLLOKOSA-N 433.386 4.137 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1ccc(C2(NC(=O)c3ccccn3)CCC2)cc1 1791184609 XPFDIATVHNBJKU-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD O=C([C@H]1CC=CCC1)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1824275589 BHNMVIPYBJKZDB-VYKZSKQESA-N 441.528 4.177 5 20 IIBD CC1(C)CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC2)C1 1830615971 SLKUIBWDLWSJOR-OAQYLSRUSA-N 445.535 4.403 5 20 IIBD COc1cc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)ccc1OCCC(C)C 9177902 IOCPSKOZDRSXRY-UHFFFAOYSA-N 431.441 4.252 5 20 IIBD CCOc1cc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)ccc1OC(=O)CC 13924104 LDSIZHYSMYFKAK-DHDCSXOGSA-N 444.827 4.307 5 20 IIBD COc1ccc([N+](=O)[O-])cc1OCC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1 14735902 MQWWAGOAIPWJIT-IBGZPJMESA-N 435.436 4.262 5 20 IIBD O=C(CSc1nnc(Cc2cccs2)n1C1CC1)Nc1ccc(F)c([N+](=O)[O-])c1 17272621 BMVWJHJTAUEAER-UHFFFAOYSA-N 433.490 4.043 5 20 IIBD COc1ccc(C(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c2ccc(OC)cc2)cc1 18018710 DMZUSIAVEXUEEZ-UHFFFAOYSA-N 436.464 4.205 5 20 IIBD CCn1c(SCC(=O)NCCc2ccccc2C)nc2cc3ccccc3cc2c1=O 19241442 VVILXFFNBBMMEZ-UHFFFAOYSA-N 431.561 4.329 5 20 IIBD CCNC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 20792706 OMQMGOLZKQZJOC-GHRIWEEISA-N 445.475 4.313 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)cc1OC 21738387 QAKGWVWOXYSJOL-UHFFFAOYSA-N 428.224 4.349 5 20 IIBD CSc1ccc(C(=O)O[C@H](C)C(=O)Nc2c(C(C)=O)oc3ccccc23)cc1[N+](=O)[O-] 22160996 SUTOZHYQZKNGAM-GFCCVEGCSA-N 442.449 4.450 5 20 IIBD CCCCCc1ccc(NC(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)cc1 22654281 MLCWDOVDQCYNNQ-UHFFFAOYSA-N 438.528 4.248 5 20 IIBD COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)cc1 24967573 FKVBJGYEAAPRAW-NSHDSACASA-N 447.904 4.172 5 20 IIBD O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccccc1SCc1cn2ccccc2n1 28442115 OMZYKIVLFQVYNE-UHFFFAOYSA-N 447.520 4.377 5 20 IIBD O=C(Nc1cccc(OCc2ccccn2)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 31456446 JXPDRHOLOAZCTR-UHFFFAOYSA-N 432.480 4.424 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CCc1ccccc1)Cc1ccccc1 32402529 YEWVQBHTXFHQAY-UHFFFAOYSA-N 426.494 4.037 5 20 IIBD CC(C)NC(=O)Nc1ccc(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 64916853 GTWGVIIRTMIAAA-UHFFFAOYSA-N 439.497 4.178 5 20 IIBD CCN(CC)C(=O)C1(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCCCC1 64934485 GHIYWFXIBCQWCF-UHFFFAOYSA-N 430.530 4.019 5 20 IIBD O=C(Nc1cccc(C(=O)Nc2ccccn2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 72062736 AGEVOSKKOKPFKS-UHFFFAOYSA-N 431.452 4.095 5 20 IIBD C[C@H](c1cc2ccccc2o1)N(C)C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 105823223 NKLOBNCOTJSPHI-UKRRQHHQSA-N 425.416 4.053 5 20 IIBD Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 107572681 PGZHQRFQSGAQHX-UHFFFAOYSA-N 447.495 4.366 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCc2cn3ccccc3n2)cc1 216940651 VFEOUTABLHTBIP-UHFFFAOYSA-N 431.452 4.140 5 20 IIBD CCn1c(Sc2ccc(C(C)=O)cc2[N+](=O)[O-])nc2ccc(Br)cc2c1=O 301092720 OECUTTCMGWFSCJ-UHFFFAOYSA-N 448.298 4.441 5 20 IIBD O=[N+]([O-])c1ccc(NCc2ccc(S(=O)(=O)N3CCCC3)cc2)c(C(F)(F)F)c1 301099203 NWVAZWFGUYVOLY-UHFFFAOYSA-N 429.420 4.010 5 20 IIBD O=c1c(Br)cn(-c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])cc1[N+](=O)[O-] 301649777 FSFZAJQQYDEMRU-UHFFFAOYSA-N 442.531 4.089 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(c3nc(-c4ccccn4)no3)CC2)nc1-c1ccccc1 301846009 AKMHIULYFHUVQC-UHFFFAOYSA-N 428.452 4.486 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(Br)c(F)c2)cc1SC 303226805 XCMHZKCLRCOZJL-UHFFFAOYSA-N 429.267 4.157 5 20 IIBD COCCCN(Cc1ccncc1)C(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 303252411 BDFRIZNZQWLQPX-OALUTQOASA-N 440.544 4.151 5 20 IIBD CCN(CC(=O)Nc1c(C)cccc1C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 304004422 KMOZMWFOXCEFAW-UHFFFAOYSA-N 441.531 4.259 5 20 IIBD COC[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(Cl)cc1 426283088 VTRDGLPJTZDACB-INIZCTEOSA-N 431.798 4.454 5 20 IIBD O=C(NCC(F)(F)F)[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 428487510 YWDUKYWMGSJIRD-LLVKDONJSA-N 431.798 4.009 5 20 IIBD Cc1ccc(C[C@H](C)N(C)C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc1 430302506 HPUUPRYHRXNYHD-ZDUSSCGKSA-N 448.317 4.002 5 20 IIBD Cc1ccccc1[C@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)C1CC1 430327839 XVDORNKJVBZQOZ-GOSISDBHSA-N 446.301 4.180 5 20 IIBD O=c1c(Cl)c(N(Cc2cccs2)C[C@H]2CCCO2)cnn1-c1ccc([N+](=O)[O-])cc1 432044126 ZOWLREJDAXSORX-MRXNPFEDSA-N 446.916 4.041 5 20 IIBD CC(C)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCS1 437193344 GQYWHIRNVGYBDQ-SFHVURJKSA-N 445.507 4.430 5 20 IIBD CC(C)S(=O)(=O)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 437269989 RZXFDBGAFROWEU-UHFFFAOYSA-N 430.404 4.189 5 20 IIBD O=C(N[C@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1)c1cc2cc([N+](=O)[O-])ccc2s1 438457393 QPKPJITXAUNYFR-MRXNPFEDSA-N 447.398 4.466 5 20 IIBD O=C(Nc1ccccc1)[C@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 438665524 MKVZUSOBJRZNCR-OAQYLSRUSA-N 429.436 4.114 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ncc(-c3ccccc3)[nH]2)cc1[N+](=O)[O-] 439198312 CGOUCHSKHCJICF-IBGZPJMESA-N 426.498 4.209 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1c1ncc(-c2ccccc2)[nH]1 439199112 FJMKYCPMROJVAH-IBGZPJMESA-N 426.498 4.209 5 20 IIBD C[C@@H]1CCN(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)[C@H]1CO 443625226 UAJPNMLWUDDZQC-PXAZEXFGSA-N 437.855 4.092 5 20 IIBD CCN(CC)[C@@H](CNC(=O)c1cccc(OC)c1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 444001749 CYGYGFPQHVCORQ-KRWDZBQOSA-N 439.434 4.435 5 20 IIBD C[C@@H](CCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)N(C)Cc1ccccc1 444110195 PMPQCURVAQPILI-KRWDZBQOSA-N 431.511 4.461 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3)c(F)cc2C)c1 447633014 SGFYHQAXJOMQDU-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CC[C@H](n2ncc3ccccc32)C1 447681464 ZRTIYOYIUYPSEC-LBPRGKRZSA-N 427.333 4.445 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCc1ccccc1N1CCOCC1 447687176 SWFILXBGZUESDM-UHFFFAOYSA-N 432.349 4.093 5 20 IIBD COc1cccc(C(=O)N2CCC(Nc3cccc(Br)c3)CC2)c1[N+](=O)[O-] 447691094 OBBCSPVREFCSCE-UHFFFAOYSA-N 434.290 4.083 5 20 IIBD CCOC(=O)c1ccnc(N2CCC[C@H](Nc3cccc(Br)c3)C2)c1[N+](=O)[O-] 447807658 REUWMWJFDFDHQE-HNNXBMFYSA-N 449.305 4.010 5 20 IIBD O=C(c1cc(C(=O)N2CC3(CCC3)[C@H]2C2CC2)cc([N+](=O)[O-])c1)N1CC2(CCC2)[C@@H]1C1CC1 460973117 KIUIVNIFDWCFIK-SZPZYZBQSA-N 449.551 4.404 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(C2CCC2)c1 462372959 LXTUPHJALWRMNY-FQEVSTJZSA-N 427.526 4.353 5 20 IIBD CCO[C@H](C)c1nc(CN2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC2)cs1 463071084 QQKZXUHYSIDAAH-OAHLLOKOSA-N 427.530 4.019 5 20 IIBD O=C(CCC(F)(F)F)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 463134053 HJOXJPYXCWISME-UHFFFAOYSA-N 427.448 4.310 5 20 IIBD COc1cc(CN(C)C(=O)CN(C)c2ccccc2[N+](=O)[O-])ccc1OCc1ccccc1 463300984 LHYJRKAUAQSHTC-UHFFFAOYSA-N 449.507 4.277 5 20 IIBD Cc1cccc(COc2ccc(CNC(=O)C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)cc2)c1 464019325 NKJIEWQUCJSUTO-UHFFFAOYSA-N 447.491 4.354 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CNc2ccc(F)cc2C(=O)N(C)C)cc1OC 467264256 KQFDIQKQXLXZKF-CQSZACIVSA-N 433.480 4.481 5 20 IIBD CC(C)C[C@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 469453809 CQVJUAKVCFRQKC-KRWDZBQOSA-N 443.887 4.419 5 20 IIBD COCCC[C@@H](Cc1ccccc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 471313169 FKWOXJSEGBOLOL-KRWDZBQOSA-N 435.318 4.054 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@H]3CC34CCCC4)cc2)cc1[N+](=O)[O-] 474771166 ZVRKCOBLWQRDAZ-GOSISDBHSA-N 429.498 4.223 5 20 IIBD CC(C)(C)c1ccc(Oc2ccc(CNCC3(S(C)(=O)=O)CC3)cc2[N+](=O)[O-])cc1 475426367 AGVRSNZRQQUXBN-UHFFFAOYSA-N 432.542 4.351 5 20 IIBD COc1ccc(C(=O)CCCCCC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 476035558 QYFLJHRZIAMCRG-UHFFFAOYSA-N 439.512 4.085 5 20 IIBD Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2c([N+](=O)[O-])ncn2C)c(C)c1 476490999 OMYVRMKVZGAVHL-UHFFFAOYSA-N 434.525 4.409 5 20 IIBD COc1c(C(=O)N2CCC(Nc3cccc(Br)c3)CC2)cccc1[N+](=O)[O-] 477136480 KKKXWAHJXGNMEL-UHFFFAOYSA-N 434.290 4.083 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCCc1ccc(OCC(F)(F)F)nc1 479753156 KRZYKPVIGIAIGM-UHFFFAOYSA-N 449.838 4.035 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCC(C)(C)CN2CCCC2)cc1[N+](=O)[O-])c1ccccn1 481619126 INKOXQWXQYVUQT-KRWDZBQOSA-N 425.533 4.015 5 20 IIBD O=C(CN[C@@H](c1cc(F)cc(Br)c1)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 481730721 AWTLPERXXPABBR-HXUWFJFHSA-N 448.292 4.126 5 20 IIBD Cc1cnc(OCC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)c([N+](=O)[O-])c1 481745620 PFLFCDIKKHVJBF-AWEZNQCLSA-N 428.495 4.178 5 20 IIBD CC(C)NC(=O)CCNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 483372096 DFSXIBJBFLBJPG-UHFFFAOYSA-N 444.538 4.000 5 20 IIBD COc1ccc([C@@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c2cccc(S(C)(=O)=O)c2)cc1 483811536 XKNAGUPTBXWGNL-QMHKHESXSA-N 440.521 4.447 5 20 IIBD O=C(NC[C@@H]1SCCc2ccccc21)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 487827466 AFUQVMSZOGBGSG-KRWDZBQOSA-N 426.416 4.296 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)NCc1ccc(-c2ccc(Cl)cc2)o1 487902134 ZTKFDLWPRQWJLH-UHFFFAOYSA-N 437.839 4.140 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2nc(-c3ccncc3)cs2)cc1SC 488186353 RZDTXLHAVMWBFG-NSHDSACASA-N 430.511 4.335 5 20 IIBD O=C(N[C@H]1CCOC2(CCOCC2)C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 491922328 UCBREYNLYOCGGY-INIZCTEOSA-N 428.510 4.204 5 20 IIBD Cn1ccnc1[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(F)c1 496383489 XCCXAUPDEOBWOZ-GOSISDBHSA-N 437.456 4.110 5 20 IIBD COc1ccc(CSCC(=O)NCc2ccccc2OC2CCCC2)cc1[N+](=O)[O-] 502968039 GFLQYLYIBITCJA-UHFFFAOYSA-N 430.526 4.474 5 20 IIBD CC(C)(C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1ccccc1[N+](=O)[O-] 505971146 MYWFPQLYWSFVFW-HNNXBMFYSA-N 436.295 4.101 5 20 IIBD Cc1ccc([C@H](CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)N2CCCC2)o1 506360978 AZSSJZRNMVOLSO-QFIPXVFZSA-N 440.544 4.299 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1N1CCCC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 506368251 HLCGWJZRQIPJQO-UHFFFAOYSA-N 448.445 4.176 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F 508111513 VOZBUGWMCPGNRT-HNNXBMFYSA-N 433.795 4.311 5 20 IIBD CCCN(CCC)C(=O)c1ccccc1NS(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 509521068 CPNDDBPNRPTYTM-UHFFFAOYSA-N 433.530 4.275 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2cccc(Cl)c2-n2cncn2)cc1[N+](=O)[O-] 510614661 LVOSWPMFGBNFEI-UHFFFAOYSA-N 436.653 4.152 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 511854437 IATMGAZLWQRQLC-SJORKVTESA-N 437.418 4.487 5 20 IIBD NC(=O)c1cc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)n2)c[nH]1 514046238 OOHUPDOAMXISFD-UHFFFAOYSA-N 449.448 4.190 5 20 IIBD CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 515403276 BJPKRUPPHQUGNH-LSBZLQRGSA-N 433.302 4.438 5 20 IIBD COc1ccccc1[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 518645491 HNJMKTVAQNPHIC-QHCPKHFHSA-N 428.448 4.309 5 20 IIBD COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)CNc1ccccc1[N+](=O)[O-])CC2 520093799 XJJWTHUIHCOBST-VWLOTQADSA-N 447.491 4.198 5 20 IIBD O=C(NCCc1nc(-c2ccc(COc3ccccc3)cc2)no1)c1ccc([N+](=O)[O-])cc1 520303513 WEICRDZWCCFMMT-UHFFFAOYSA-N 444.447 4.196 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)cc1C 520617033 KBYPIIFWTQZBND-CQSZACIVSA-N 445.541 4.193 5 20 IIBD COc1ccc(Cn2cc(C(=O)N(Cc3ccccc3[N+](=O)[O-])CC(F)(F)F)cn2)cc1 521866647 PXYVXESTMLITAE-UHFFFAOYSA-N 448.401 4.053 5 20 IIBD C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 523156587 GISJWMRHRTZAOI-CQSZACIVSA-N 445.907 4.387 5 20 IIBD O=C(Nc1cccc(CN2CCSCC2)c1)c1ccc([N+](=O)[O-])cc1Br 523507554 BHIIJVVLQWIUKL-UHFFFAOYSA-N 436.331 4.158 5 20 IIBD CCO[C@H]1C[C@@H](N(C)C(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C12CCCCC2 525528700 BAZKQOVRNJUQEQ-MSOLQXFVSA-N 442.459 4.405 5 20 IIBD O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 535709769 SJKNSXSSMQPJOQ-OAQYLSRUSA-N 439.903 4.001 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](Cc2ccccc2)C1 536515173 YGMASNLNLSVXJB-SFHVURJKSA-N 442.537 4.345 5 20 IIBD O=C(NCCCc1nc(-c2ccc(F)cc2)no1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 537264174 OOHDVINOQSLHAP-UHFFFAOYSA-N 447.426 4.209 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCc2cccc(-c3ncc[nH]3)c2)cc1[N+](=O)[O-])c1ccccn1 537549720 CANNCSZATOYQFT-MRXNPFEDSA-N 442.479 4.483 5 20 IIBD Cc1c([C@H](C)NCc2ccccc2CS(=O)(=O)N2CCC(C)CC2)cccc1[N+](=O)[O-] 537950267 OVXQMEYPXXMWEQ-IBGZPJMESA-N 445.585 4.316 5 20 IIBD CCN(CC)[C@@H](CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1cccc(OC)c1 537966047 RUMVHUIRMURGLE-QFIPXVFZSA-N 448.523 4.478 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c1 539526511 VFDVVVWKVWXFSP-KRWDZBQOSA-N 448.479 4.197 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 539601834 SMBBEOMZDJLUCQ-UHFFFAOYSA-N 449.554 4.180 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 540239355 HFFYJWWAVKTHFY-ZMZPIMSZSA-N 432.274 4.345 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cccc(NC(=O)c2cccs2)c1 541434474 SNCAVCHDXLHAEV-UHFFFAOYSA-N 426.454 4.239 5 20 IIBD COc1ccc(CN(C(=O)N=c2cc[nH]cc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]2C)cc1OC 541907260 LOYLMEHKAKEJKI-MAUKXSAKSA-N 428.489 4.042 5 20 IIBD CC[C@@H]1CN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c2cccc(Cl)c2O1 542264997 JLPVAZJFHHOLJZ-CQSZACIVSA-N 445.859 4.141 5 20 IIBD COC(=O)[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl 543206258 SZNWCJUMZWNAKX-INIZCTEOSA-N 429.281 4.024 5 20 IIBD C[C@H](C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccc([N+](=O)[O-])cc1F 543463262 UPVXXWZPTAYJHF-ZDUSSCGKSA-N 433.395 4.277 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1nn(-c2ccc(F)cc2)cc1Br 545958583 RDTWAXLZHLXSGR-UHFFFAOYSA-N 449.236 4.333 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 545958900 WFDZULVADMZEDQ-UHFFFAOYSA-N 440.477 4.220 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1-c1nc(Cc2cc(Br)c3c(c2)OCCCO3)no1 546359322 RWQGUGRYDFLQII-UHFFFAOYSA-N 446.257 4.468 5 20 IIBD CSCc1ccc(-c2noc(-c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)n2)cc1 547060296 OJDYWIGSJKUGIQ-UHFFFAOYSA-N 440.510 4.455 5 20 IIBD C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1cc(F)c(F)cc1Br 560580839 OQRZJQLPLXDGLI-SNVBAGLBSA-N 428.233 4.142 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCCn2c(cc3ccccc32)C1 563253736 CYPBWTXQNWSZEZ-UHFFFAOYSA-N 428.286 4.287 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)NC[C@H]1CCCOC1 573164021 CVHOHTDFJCUDMV-CQSZACIVSA-N 437.855 4.405 5 20 IIBD Cc1sc(NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)nc1-c1cccc(Cl)c1 574104494 JQIPLRSMRHAVAG-UHFFFAOYSA-N 444.856 4.227 5 20 IIBD COc1ccc(CN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C2CC2)c(OC)c1 574772489 MGYQDDHESMTISB-AWEZNQCLSA-N 429.473 4.453 5 20 IIBD COc1cc(C(=O)NCC2(N3CCCCC3)CCCCC2)c([N+](=O)[O-])cc1OC(F)F 585701318 DANNUKJDNKGLSH-UHFFFAOYSA-N 441.475 4.123 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CNc3cccc(S(=O)(=O)N4CCCC4)c3)cs2)c1 588931686 HOVJXFSJNSCFDC-UHFFFAOYSA-N 444.538 4.115 5 20 IIBD C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 603741179 KDENTXCUVBGXMZ-CALCHBBNSA-N 447.495 4.151 5 20 IIBD COc1cccc(CCNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])c1 603862304 OVZHKIFUJZKXMG-UHFFFAOYSA-N 427.482 4.059 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2c2nc3ccccc3n2C)cc1OC 604387782 YZALALZCBIADOA-SFHVURJKSA-N 438.484 4.256 5 20 IIBD O=C(Nc1ccccc1N1CCc2ccccc21)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 609444078 SYGPHQRXMWXLOE-UHFFFAOYSA-N 426.436 4.122 5 20 IIBD COc1cc(OCc2nc(-c3cccc(Cn4nc(C)cc4C)c3)no2)ccc1[N+](=O)[O-] 609475786 VASVQONFOOHAMJ-UHFFFAOYSA-N 435.440 4.094 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 609783969 VXAHNLHEKWWPAM-UHFFFAOYSA-N 442.884 4.438 5 20 IIBD O=C(c1csc(-c2cccc(Cl)c2)n1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 609837758 FAHGUXOTZLJRRS-AWEZNQCLSA-N 429.889 4.093 5 20 IIBD COc1ccc2c(c1)OCC[C@H]2NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 672778414 SDWHDWWRLDNAGL-HXUWFJFHSA-N 436.414 4.222 5 20 IIBD O=[N+]([O-])c1ccc2cnn(CN3CCC[C@@H](c4nc(-c5ccc(Cl)cc5)no4)C3)c2c1 726591310 FSCFYNZGLNPIPS-MRXNPFEDSA-N 438.875 4.485 5 20 IIBD CCn1nc(C)c(C(=O)O[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)c1C 727015158 IUMMTKQGRGVJQL-OAQYLSRUSA-N 436.468 4.273 5 20 IIBD Cc1ccc(NC(=O)c2cccc(OS(=O)(=O)c3c(F)cccc3[N+](=O)[O-])c2)cc1 727459851 CIPQVLRLOLOWAX-UHFFFAOYSA-N 430.413 4.062 5 20 IIBD COc1c(C)cnc(CN2CCC(N(C)C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)c1C 728503201 RQPQDFSGGLKFNG-UHFFFAOYSA-N 446.935 4.005 5 20 IIBD CCOC(=O)c1oc2ccccc2c1CNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] 728523776 WXCYINPJGNTWAR-UHFFFAOYSA-N 444.465 4.178 5 20 IIBD O=C(OCCOCC(F)(F)F)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 733388775 ZKLGIQMPKRGFIH-UHFFFAOYSA-N 431.750 4.215 5 20 IIBD CC(C)(C)[S@](=O)Cc1cccc(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 734807488 RXGJPQDLTGYOMZ-AREMUKBSSA-N 430.935 4.096 5 20 IIBD CC(C)(C)c1noc(COc2ccc(OC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])cc2)n1 741584094 FFKANXOEICAJCK-UHFFFAOYSA-N 433.367 4.352 5 20 IIBD C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)Oc1cccc(Br)c1 742848992 FTTFSKVGLJPXGN-AWEZNQCLSA-N 448.317 4.155 5 20 IIBD CCOc1cc(N2CCC(OC(=O)C3(c4ccccc4F)CC3)CC2)ccc1[N+](=O)[O-] 744203296 GUYZOFVJIYCOPK-UHFFFAOYSA-N 428.460 4.376 5 20 IIBD CCc1cnc(COC(=O)CSc2nc3cc([N+](=O)[O-])ccc3n2-c2ccccc2)o1 744513294 QCOUMHWRMVBCBV-UHFFFAOYSA-N 438.465 4.320 5 20 IIBD C[C@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCCCC2)cc1 745074111 PJYPLBMLUMMQKQ-KRWDZBQOSA-N 439.512 4.433 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NC[C@H](O)c3ccccc3F)cc2[N+](=O)[O-])n1 746708407 QTWATCBLRZVBPE-INIZCTEOSA-N 433.486 4.113 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 747419850 LCSWRNJCHBAGLN-KGLIPLIRSA-N 434.876 4.099 5 20 IIBD Cc1ccccc1Nc1nc(COC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cs1 747684883 FGUWFRUKJQWGOE-UHFFFAOYSA-N 436.453 4.041 5 20 IIBD O=C(Nc1ccc(N2CCc3sccc3C2)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 748651024 ZDSONRFJZLIQJP-UHFFFAOYSA-N 437.477 4.243 5 20 IIBD Cc1c(C(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748707718 BIOQZCMTWGRYIG-IBGZPJMESA-N 446.891 4.340 5 20 IIBD CC(C)OC(=O)NCc1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 750841973 DEUFGTYKTKVUDB-UHFFFAOYSA-N 436.262 4.244 5 20 IIBD Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1Br 751117396 GSTVQLSMEUPERJ-UHFFFAOYSA-N 432.274 4.154 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)no2)cc1[N+](=O)[O-] 751244531 WUZARARUCZFSAL-UHFFFAOYSA-N 442.403 4.310 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1COC(=O)c1cc([N+](=O)[O-])c(Br)cc1F 751689870 DDZJPDSDPBHUAJ-JTQLQIEISA-N 447.257 4.053 5 20 IIBD Cc1cc(F)cc(C(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c1[N+](=O)[O-] 753352419 CILIOVHOVBVOLR-UHFFFAOYSA-N 443.456 4.120 5 20 IIBD O=C(OCC1CCC2(CC1)OCCO2)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 753424230 ZWWGYDKXGAIXJK-UHFFFAOYSA-N 429.419 4.050 5 20 IIBD C[S@](=O)Cc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)ccc1Cl 754975901 FDDKZWBBHWWCAJ-VWLOTQADSA-N 449.685 4.281 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1nccn1Cc1ccc(Br)cc1 755721745 HEEIKIRBPZJZNC-YHYXMXQVSA-N 427.258 4.254 5 20 IIBD CCc1ccc(OC(=O)[C@H]2CCC(=O)N2Cc2ccc(Br)cc2)c([N+](=O)[O-])c1 755782440 LYCFVOLORUZFLM-MRXNPFEDSA-N 447.285 4.016 5 20 IIBD CN([C@H](c1ccc(Cl)cc1)C(F)(F)F)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 758459505 AEEWHQFZLGCZQE-CQSZACIVSA-N 426.775 4.311 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(F)c(C(F)(F)F)c(F)c2)c([N+](=O)[O-])c1 758841502 AOGPTLNSTXBLDU-QMMMGPOBSA-N 448.300 4.084 5 20 IIBD Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F 759803343 JCWRJDHNYWREBE-HNNXBMFYSA-N 444.916 4.074 5 20 IIBD Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)NCCc1ccccc1[N+](=O)[O-] 760188780 YENMUGFAIKNPNX-SFHVURJKSA-N 433.940 4.498 5 20 IIBD O=C(NC[C@@H](O)c1ccco1)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 762321927 WZUPGCBUPCDZCT-HSZRJFAPSA-N 449.507 4.110 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1cc(Cl)cc(Cl)n1)c1ccccc1[N+](=O)[O-] 762435026 ZUCMUQXVPSNPDH-CYBMUJFWSA-N 426.256 4.109 5 20 IIBD C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 765056099 IQVREPLGFRLETR-FUHWJXTLSA-N 442.516 4.451 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1Cc2ccc(Br)cc2C1 765215142 PICULEWDFGUHMI-UHFFFAOYSA-N 440.091 4.205 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)Nc1ccccc1Br 766221212 NXTASKTUUDZODM-NSHDSACASA-N 444.241 4.090 5 20 IIBD O=C(NCc1ccncc1)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c1 768707861 SZDUBZYCMIYBLT-UHFFFAOYSA-N 425.832 4.217 5 20 IIBD Cn1c(COC(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)nnc1-c1ccc(Cl)cc1 770410668 JBFROWDVUZGFQK-UHFFFAOYSA-N 425.203 4.193 5 20 IIBD O=C(N[C@H](CO)C1CC1)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 771013088 OZWAEOAGUSJIIS-CQSZACIVSA-N 426.416 4.266 5 20 IIBD Cc1cc(S(=O)(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)cc([N+](=O)[O-])c1F 771744745 MPVLLCVJIVQDEP-OAHLLOKOSA-N 445.472 4.056 5 20 IIBD Cc1c(C(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 773155801 VQRHBVRZBHXVMC-UHFFFAOYSA-N 435.318 4.268 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Oc2cc(Cl)cnc2Br)cc1[N+](=O)[O-] 774799653 VWBBGGMLRMDFBR-UHFFFAOYSA-N 442.074 4.135 5 20 IIBD CN(C)c1ccc(C2CCN(C(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CC2)cc1 775977911 HMJHGWYXAPCNAV-UHFFFAOYSA-N 433.512 4.081 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc(C)n(-c3ccccc3Cl)n2)cccc1[N+](=O)[O-] 776437071 VKCNVHABMYBZSW-CQSZACIVSA-N 442.859 4.235 5 20 IIBD CSc1cccc(C(=O)OCC(=O)N(Cc2ccco2)c2ccccc2)c1[N+](=O)[O-] 777074472 LYFPDEDACGHZSV-UHFFFAOYSA-N 426.450 4.300 5 20 IIBD CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 781260198 SPOLUBDLVNUOCR-OAHLLOKOSA-N 428.444 4.068 5 20 IIBD Cc1cc(C(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)c(C)n1Cc1ccco1 781422067 MIPRUZRWAZHRKC-MRXNPFEDSA-N 439.468 4.149 5 20 IIBD CC[C@@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 781690479 MAPFBNVTXYQPHN-LLVKDONJSA-N 432.380 4.178 5 20 IIBD CC(C)(C)c1nc(CC(=O)Oc2cc([N+](=O)[O-])ccc2I)cs1 781747450 PHQHBKYCXGUGTM-UHFFFAOYSA-N 446.266 4.102 5 20 IIBD CCc1ccc(N2C(=S)N[C@@H](c3ccc([N+](=O)[O-])s3)C(C(=O)N(C)C)=C2C)cc1 782247859 ICHQENMMHHFMGW-SFHVURJKSA-N 430.555 4.017 5 20 IIBD CC(C)c1ccc(C(=O)OCC(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] 784258230 JDFQFAMCXDJDPN-UHFFFAOYSA-N 436.411 4.135 5 20 IIBD O=C(c1cc(NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)ccc1[N+](=O)[O-])N1CCCC1 784569521 FTYHBBXNJZDQLU-UHFFFAOYSA-N 438.362 4.370 5 20 IIBD COC(=O)COc1ccc(/C=C(/Cl)c2nc3cc(Cl)ccc3n2C)cc1[N+](=O)[O-] 788732624 LDIMALZVBJLFLO-NTUHNPAUSA-N 436.251 4.424 5 20 IIBD O=[N+]([O-])c1ccc(CSc2nnc(N3CCCCC3)n2Cc2ccco2)c([N+](=O)[O-])c1 789909412 ZUPTUXMKELOLDZ-UHFFFAOYSA-N 444.473 4.018 5 20 IIBD Cc1cc(C)c(NC(=O)COC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c(Cl)c1 790745315 HMKKVCKBVWTAGH-UHFFFAOYSA-N 429.231 4.382 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1sc2c(c1C(=O)NC1CC1)CCC2 790889585 CLSSKIWTUSHIHV-UHFFFAOYSA-N 437.880 4.011 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccnn2Cc2ccc(OC(F)(F)F)cc2)c1F 790893775 BXLYACUWYCJECR-UHFFFAOYSA-N 438.337 4.438 5 20 IIBD CCOC(=O)c1csc([C@H]2CCCN2Cc2ccc(Br)c([N+](=O)[O-])c2)n1 792195656 DDCTWNVEIZMXQK-CQSZACIVSA-N 440.319 4.328 5 20 IIBD Cc1cccc(C)c1NC(=O)[C@@H](C)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 792901278 ZIFQFQVELSLZOA-CQSZACIVSA-N 432.318 4.359 5 20 IIBD O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1CN1CCS[C@H](c2ccccc2)C1 795430395 DITRBOMVHJRVHU-SFHVURJKSA-N 448.342 4.061 5 20 IIBD CC(C)c1[nH]nc(C(=O)OCc2ncc(-c3ccc(Br)cc3)o2)c1[N+](=O)[O-] 796252750 GSBDPTWPSULNGS-UHFFFAOYSA-N 435.234 4.216 5 20 IIBD C[C@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(Br)cc1F 796690920 AOKFWNGICDQTMR-VIFPVBQESA-N 430.661 4.439 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1cc(F)c(Br)cc1Cl 799125069 DTDGVJYWZCPLKI-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD O=C(COC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1Cl 801063400 LTKFGGKVPCKMQN-BAQGIRSFSA-N 439.649 4.206 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 801967643 KUXAFUFHTFXTDU-UHFFFAOYSA-N 435.455 4.107 5 20 IIBD C[C@@H](CO)N(C[C@H](C)c1ccccc1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 809847410 RSGIZCCUPQSZQO-STQMWFEESA-N 447.340 4.077 5 20 IIBD CSCc1cccnc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 811437989 NUEWLYXKXGGXMU-SNVBAGLBSA-N 443.403 4.056 5 20 IIBD Cc1ccc([C@H](CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])N2CCOCC2)cc1 812922706 MXYCRQDUVOWWIB-SFHVURJKSA-N 438.311 4.013 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H]2CN(Cc3c(Br)cccc3[N+](=O)[O-])CC[C@H]21 814177114 XWGZJADBMPLNFS-XJKSGUPXSA-N 440.338 4.189 5 20 IIBD C[C@H](c1nc2ccccc2s1)N(C)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] 814980884 UMFHNHZJYMVNRK-SECBINFHSA-N 429.882 4.379 5 20 IIBD O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 814986061 DRNITVJYUQRZRL-LLVKDONJSA-N 439.852 4.097 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc1OCC 815406818 WPDORIBGPCLSQQ-UHFFFAOYSA-N 436.848 4.150 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)CSc1ccc2c3c(cccc13)CC2 846242031 MKAQFEKEMMONBL-UHFFFAOYSA-N 436.489 4.429 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1CNc1cc(N2CCOCC2)ccc1Br 864029764 BZRKEHIDZTZYEZ-UHFFFAOYSA-N 426.698 4.459 5 20 IIBD CC(C)[C@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)N[C@H]1CCOc2ccccc21 877196863 LNZIDNGIYFLJDU-LPHOPBHVSA-N 432.860 4.070 5 20 IIBD Cc1c(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)cnn1-c1ccc(Br)cc1 897611391 TZCCQUNDTDLRSB-UHFFFAOYSA-N 437.200 4.382 5 20 IIBD Cc1c(C(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 915083394 NBXFVQBNBOBJDM-IBGZPJMESA-N 432.864 4.032 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NC[C@@H](c2cccc(Cl)c2)N2CCCC2)c1[N+](=O)[O-] 915212981 OCRWDCYJQMPXPP-SFHVURJKSA-N 434.880 4.206 5 20 IIBD COc1ccc(CN(C)C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc1F 917353782 OGDVLXZYQMWIMQ-HOTGVXAUSA-N 429.492 4.497 5 20 IIBD O=C(OCc1nc(-c2cc(Br)cs2)no1)c1cc2cccc([N+](=O)[O-])c2[nH]1 917973120 LHZUFXUXHXJABM-UHFFFAOYSA-N 449.242 4.307 5 20 IIBD C[C@@H](OC(=O)Cc1cc2ccccc2o1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 920657338 AKGXGVSYSKRBAG-LLVKDONJSA-N 436.342 4.473 5 20 IIBD Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3cccc(C)c3[N+](=O)[O-])cc2)cc1 929089197 QDSMAWWNLZNGGK-UHFFFAOYSA-N 440.477 4.256 5 20 IIBD C[C@H]1CCC[C@@H](OCCCCCC(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C1 1116428682 DUBLPKFCSIAERC-NZQKXSOJSA-N 431.577 4.395 5 20 IIBD CN(C(=O)CCc1nc(-c2ccccc2)no1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 1319806132 UIVLFEAKDJGPIP-UHFFFAOYSA-N 435.465 4.364 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1320011812 JZFGFZLBBNORKV-ZIAGYGMSSA-N 427.892 4.331 5 20 IIBD O=C(Cc1ccccn1)Nc1ccc(C2(NC(=O)c3cccc(F)c3[N+](=O)[O-])CCC2)cc1 1788283051 VVLLMEZIUAANPX-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD COCCC(=O)NC1(c2ccc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3C)cc2)CCC1 1790773687 FWOQFSDNXGMQMF-UHFFFAOYSA-N 445.903 4.341 5 20 IIBD C[C@@]1(C(=O)Nc2ccc(C3(NC(=O)Cc4cccc([N+](=O)[O-])c4)CCC3)cc2)CC1(F)F 1792241728 JOHLYWSXGYNYOD-NRFANRHFSA-N 443.450 4.317 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CC=CCC2)[nH]n1)c1ccc([N+](=O)[O-])cc1F 1821049010 BNKJWWMUHPPJCI-KUHUBIRLSA-N 441.463 4.119 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccs2)[nH]n1)c1ccc([N+](=O)[O-])cc1F 1821052610 UYDRPRCBWMUUMB-MRXNPFEDSA-N 443.460 4.138 5 20 IIBD C[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1)c1cccs1 1822702192 HTFUWEIHYBEDMI-OCCSQVGLSA-N 443.485 4.082 5 20 IIBD Cc1cccc(F)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823615617 KNJJYOVPTZPCAH-GOSISDBHSA-N 443.475 4.182 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC([C@@H]2CCCCN2C(=O)c2ccsc2)CC1 1825797068 SNPUPCQHOUICEK-FQEVSTJZSA-N 445.516 4.343 5 20 IIBD O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC([C@H]2CCCCN2C(=O)C2CCCCC2)CC1 1826282666 QGJMPVJCPZRBTM-JOCHJYFZSA-N 443.544 4.114 5 20 IIBD Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N2CCCC[C@H]2C)n1 3519769 UZYPONDYIHHCGJ-CYBMUJFWSA-N 435.527 4.069 5 20 IIBD CCn1c(SCC(=O)N2CCc3sccc3C2)nc2cc3ccccc3cc2c1=O 14288240 CFSKELJHYUZCQH-UHFFFAOYSA-N 435.574 4.308 5 20 IIBD O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 15767366 GRCZGTQHTLMWLJ-UHFFFAOYSA-N 427.810 4.225 5 20 IIBD CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 16778390 RXXCTLTXKGCXBD-CQSZACIVSA-N 429.527 4.086 5 20 IIBD Cc1cccc(-c2nnc([C@@H](C)OC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)o2)c1 17727220 UOPDRIHGPSWIIG-MRXNPFEDSA-N 436.468 4.474 5 20 IIBD O=C(COC(=O)c1csc(-c2cccc(Cl)c2)n1)Nc1ccc(F)c([N+](=O)[O-])c1 17980558 INMHOVVSSHAKOH-UHFFFAOYSA-N 435.820 4.306 5 20 IIBD C[C@@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCCCC2)cc1 22044182 ULRUZLNWPHHRKM-CQSZACIVSA-N 431.876 4.423 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2cccc(CN(C)C)c2)cc1 31116236 FPOHFADDAGHZKM-UHFFFAOYSA-N 435.480 4.387 5 20 IIBD O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCC(c2cccc3ccccc23)CC1 58725551 OHZBLPHAUUTQRJ-UHFFFAOYSA-N 427.464 4.349 5 20 IIBD Cc1ccc([C@H](OC[C@@H](O)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)c2ccccc2)cc1 59374293 NKGPLMONIFUXPT-BJKOFHAPSA-N 444.491 4.329 5 20 IIBD COc1cc(CNC[C@H]2CCCO[C@@H]2C(C)(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F 237279749 ZERLYPDWNYLODA-ACJLOTCBSA-N 434.455 4.475 5 20 IIBD O=C(Nc1cc(Cl)ccc1O)C1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 301119896 ZOBTXEJEWOKERH-UHFFFAOYSA-N 426.860 4.357 5 20 IIBD O=c1c(Cl)c(N2CCO[C@@H](c3ccccc3Cl)C2)cnn1-c1ccc([N+](=O)[O-])cc1 301203023 QFTJBBVRCXWXFP-GOSISDBHSA-N 447.278 4.025 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N1CCC[C@@H](c2nccs2)C1 302024698 GEYXUKBFMGKJAQ-OAHLLOKOSA-N 444.538 4.236 5 20 IIBD Cc1ccccc1[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 303227224 XHUJSQTYHHYIKC-OAHLLOKOSA-N 425.304 4.192 5 20 IIBD C[C@H]1[C@@H](CO)CCN1C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 427825730 ZAOMAZMTHTVRQC-GXTWGEPZSA-N 429.523 4.199 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccco2)c2ccccc2OC)cc1SC 431105278 AQBJTEAXCVYSQD-FQEVSTJZSA-N 428.466 4.446 5 20 IIBD Cc1c(N[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)cnn1C 435980301 GLLSLGTULOWHSK-SFHVURJKSA-N 444.289 4.191 5 20 IIBD CO[C@]1(C)C[C@H](N(C)C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1(C)C 436333990 DNHHIRHAEMMDKI-ZNRXUEPQSA-N 426.517 4.439 5 20 IIBD O=C(NCc1cccc(NC(=O)N2CCCC2)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437931031 FSIIOIYKJCPDCL-UHFFFAOYSA-N 436.390 4.171 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(Cl)cc1-c1nc(CC(C)C)no1 439642511 DYZSJFIHLGFKMT-UHFFFAOYSA-N 432.868 4.030 5 20 IIBD COc1ccc(OCCN2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c([N+](=O)[O-])c1 439733097 NNHMUSSHTKYSMG-INIZCTEOSA-N 442.447 4.051 5 20 IIBD O=C(NCc1ccc(C(=O)Nc2cccnc2)cc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 444072387 IIARRBUYUNOHJQ-UHFFFAOYSA-N 448.482 4.259 5 20 IIBD O=C(c1ccc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1)c1cccc(O)c1 444112811 DEMYLESVSOGLQB-UHFFFAOYSA-N 446.459 4.215 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CC[C@H](n2cnc3c2CCCC3)C1 444341093 VCNVKXJYPSFIBH-HNNXBMFYSA-N 448.473 4.122 5 20 IIBD C[C@H](NC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1cc(F)c(Cl)cc1Cl 444888652 QGJHDLYLFOCFOI-QMMMGPOBSA-N 426.235 4.477 5 20 IIBD O=C(NCc1cc(Br)cs1)c1sc(Br)cc1[N+](=O)[O-] 445173533 OYHGNXBMOODLCG-UHFFFAOYSA-N 426.111 4.173 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(COc3ccc(Oc4ccccn4)cc3)n2)c1 445572790 TUKMXBLUPVEZQI-UHFFFAOYSA-N 434.408 4.344 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H](c1ccccc1)c1ccncc1 445743525 MOSSHESMIDRHOR-HXUWFJFHSA-N 426.270 4.201 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N(Cc1cccc(F)c1)C[C@@H]1CCCO1 446019791 JIZJPSGUQILWMB-ZDUSSCGKSA-N 443.294 4.379 5 20 IIBD CCC[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 446161135 JBLKJMQDQVAYDK-QFIPXVFZSA-N 438.528 4.051 5 20 IIBD CCc1nc(C)c([C@H](C)N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)s1 447041731 ZAGBEZINJADNFO-JTQLQIEISA-N 448.364 4.066 5 20 IIBD COc1cc(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)ccc1OCc1ccccc1 447235590 HWMMQKFPLJYUET-UHFFFAOYSA-N 447.491 4.450 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 460477518 CDQWHWSYHXWYQY-UHFFFAOYSA-N 438.793 4.425 5 20 IIBD Cc1ccc(C(=O)N[C@H](CC(=O)NCCc2ccccc2[N+](=O)[O-])c2ccccc2)cc1 460498202 OYNODVXEFDJOJC-JOCHJYFZSA-N 431.492 4.123 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](c1cc(F)ccc1F)c1ccccc1Cl 460573627 LDSVJTBVCHRYLA-HXUWFJFHSA-N 434.830 4.327 5 20 IIBD CN(C)c1ccccc1NC(=O)c1cc(C(=O)Nc2ccccc2N(C)C)cc([N+](=O)[O-])c1 460706762 ROFJHKMKLOJGRK-UHFFFAOYSA-N 447.495 4.231 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(=O)N(C)C2CCOCC2)cc1 462638067 IIZSXPLYHFTMPK-GOSISDBHSA-N 439.512 4.053 5 20 IIBD CC(C)CN(C(=O)C[C@H]1CCCCC(=O)N1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 462843982 HHIKDEUQTQDVMZ-OAHLLOKOSA-N 430.530 4.156 5 20 IIBD COc1cc(CNC[C@@H]2CCN(c3ccccc3F)C2)c([N+](=O)[O-])cc1OCC(F)F 462912540 WYJVBJPKAPDYMR-AWEZNQCLSA-N 439.434 4.003 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccccc3O[C@H]3CCOC3)cc2[N+](=O)[O-])C1 470767352 UTEYZPXIBYICLM-LMMKCTJWSA-N 439.512 4.497 5 20 IIBD O=[N+]([O-])c1cc2c(c(CN(c3cccc(CO)c3)C3Cc4ccccc4C3)c1)OCOC2 470867734 YMVISIQFOHMSGW-UHFFFAOYSA-N 432.476 4.128 5 20 IIBD CCc1ccc(C(=O)NC2CCN(Cc3coc(-c4ccccc4)n3)CC2)cc1[N+](=O)[O-] 471992492 OGBITOSMJXJCMK-UHFFFAOYSA-N 434.496 4.207 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)NC(=O)c3ccc([N+](=O)[O-])cc3Br)n2)cc1F 472538399 PGOYLNRXAFLSKU-SNVBAGLBSA-N 449.236 4.346 5 20 IIBD O=C1CCC[C@@H]1[C@@H]1COCCN1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 475127406 FCVUJIOJKHXBFR-PKTZIBPZSA-N 446.507 4.018 5 20 IIBD COC(=O)COc1ccc(CN2CC=C(c3c[nH]c4cc(C)ccc34)CC2)cc1[N+](=O)[O-] 475568341 UXFYXFWZWSEITH-UHFFFAOYSA-N 435.480 4.226 5 20 IIBD Cn1cc([C@@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c2ccc(F)cc2)cn1 479644251 PDSCDTSXZUDQFL-IBGZPJMESA-N 437.456 4.110 5 20 IIBD CCn1c(S[C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)nnc1-c1ccc([N+](=O)[O-])cc1 481357640 HZJCOINSWCJQOA-ATNYBXOESA-N 431.562 4.295 5 20 IIBD CCn1c(S[C@H](C)C(=O)N(C)Cc2cccc(F)c2)nnc1-c1ccc([N+](=O)[O-])cc1 481358375 GYZMQNIIRKVVHU-CQSZACIVSA-N 443.504 4.152 5 20 IIBD O=[N+]([O-])c1cc2c(c(CSc3nnc(-c4ccco4)n3Cc3ccco3)c1)OCOC2 481853500 OVVVHFWKGRIVJU-UHFFFAOYSA-N 440.437 4.246 5 20 IIBD CCc1c(NC(=O)COc2cccc([N+](=O)[O-])c2)cnn1-c1ccc(C(F)(F)F)cc1 481889999 HUJQZAJZMKBGRL-UHFFFAOYSA-N 434.374 4.379 5 20 IIBD COc1ccc(OC(F)F)c(NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)c1 482262941 BBFKCZAVUNFLTA-UHFFFAOYSA-N 428.413 4.085 5 20 IIBD CCCCn1ncc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1C(C)C 482713793 BMCJZQZNJUKONO-UHFFFAOYSA-N 443.533 4.247 5 20 IIBD COc1cc([C@H]2Nc3ccc(Cl)cc3C(=O)N2C)c([N+](=O)[O-])cc1OCC(F)F 484942437 ZQAMHNKKZLBLNK-KRWDZBQOSA-N 427.791 4.097 5 20 IIBD O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CC[C@]2(C1)OCc1ccccc12 485757336 MJTSUXAERDKUGI-RUZDIDTESA-N 430.460 4.445 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@@H](C)c2ccc(OC(C)C)c(OC)c2)c(C)c([N+](=O)[O-])c1 486881067 OZOGTRMNUVXFQP-AWEZNQCLSA-N 445.472 4.368 5 20 IIBD Cc1cc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)ccc1Oc1ccncc1 487653686 LACAGOOCGUWDIM-UHFFFAOYSA-N 448.435 4.417 5 20 IIBD CCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H](C)c1cccc(C(F)(F)F)c1 488080337 APDFCRRYBMHEHW-GFCCVEGCSA-N 439.390 4.170 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CC)[C@H](c1ccc(C)cc1)n1cncn1 489131454 SPUBGVFTYMNYCV-CTNGQTDRSA-N 439.541 4.405 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CCC(OC4CCCCC4)CC3)cc2)c(C)c1[N+](=O)[O-] 495655903 JTGMGFXIZLFHIR-UHFFFAOYSA-N 440.544 4.410 5 20 IIBD CCOc1cc(CN[C@@H]2CC[C@H](C)C[C@H]2C)ccc1OCCn1c([N+](=O)[O-])cnc1C 500923964 VUPVYGUDVBQBGL-SQGPQFPESA-N 430.549 4.492 5 20 IIBD COCc1cc(CNC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)ccc1F 502330862 HMPMFBKQLHXYSZ-IYBDPMFKSA-N 429.492 4.293 5 20 IIBD C[C@@H](Sc1ncccc1[N+](=O)[O-])C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 503252688 RBDMWICTMXSSPN-GFCCVEGCSA-N 428.495 4.423 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1)c1cccc([N+](=O)[O-])c1 504020217 JFDDKMCKVAODCC-JTQLQIEISA-N 445.781 4.005 5 20 IIBD C[C@@H](c1ccccc1F)N1CCC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1=O 505379735 MWKUOLAETPYKEF-XOBRGWDASA-N 445.466 4.019 5 20 IIBD CCOC[C@@H]1CCCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 505634224 MSVQIZQKRMUFKU-OAHLLOKOSA-N 445.903 4.389 5 20 IIBD COc1ccc(CNC(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)cc1[N+](=O)[O-] 506500276 PHINBLCXPAPWDP-UHFFFAOYSA-N 446.463 4.128 5 20 IIBD O=C(Nc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc(Cl)cc1 511208349 XJBZPZDKLIHNJQ-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(Cc1ccco1)C[C@H]1CCCO1 511611317 QXRKDZDZHGKMBB-MRXNPFEDSA-N 441.406 4.216 5 20 IIBD Cn1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)c(-c2ccc([N+](=O)[O-])cc2)n1 516370096 BKFXXJASPXVTKR-QFIPXVFZSA-N 429.436 4.355 5 20 IIBD CC(C)Oc1ccc([C@@H](CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 517198522 HJEJXSXGUNLOIO-HSZRJFAPSA-N 437.544 4.175 5 20 IIBD COc1ccc([C@H](Cc2ccccc2)NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 520293283 VMBGPFZNUAWHHS-QFIPXVFZSA-N 426.494 4.007 5 20 IIBD COCCOc1ccc(CNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cn1 522709128 XZTPSJCRZCBPKS-UHFFFAOYSA-N 438.440 4.129 5 20 IIBD Cc1cc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)ccc1[N+](=O)[O-] 523727711 HSSFQRBKJLCCEG-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)c([N+](=O)[O-])c1 524298582 RGUOHNRZABFQLN-UHFFFAOYSA-N 447.416 4.255 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1cc(Br)ccc1OC 525005977 XJQOASLWOXRUHB-UHFFFAOYSA-N 441.303 4.495 5 20 IIBD COc1cc(C(=O)Nc2ccc(CC(=O)N(C)c3ccccc3)cc2)cc([N+](=O)[O-])c1OC 525026087 NNWSNCXSYXCCHG-UHFFFAOYSA-N 449.463 4.070 5 20 IIBD Cc1ccc(NCCCNC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c([N+](=O)[O-])c1 525321905 YLBPRIHVMUOTBO-UHFFFAOYSA-N 436.516 4.171 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1OC(F)F 533327247 BBZTWNSZESRPOT-UHFFFAOYSA-N 426.319 4.324 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 534950202 VQIBNSRSAVUAJL-INIZCTEOSA-N 446.500 4.094 5 20 IIBD COC(=O)CCSc1cccc(NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])c1 535185509 JPVMPSVWQIRJJO-UHFFFAOYSA-N 436.511 4.233 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 539511679 HSEGYTUEDJCNQZ-UHFFFAOYSA-N 430.454 4.300 5 20 IIBD Cc1cccc([C@@H]2CCN(C(=O)c3cc(I)cc([N+](=O)[O-])c3)C2)c1 541390336 PQBJWUJHOMYYMG-CQSZACIVSA-N 436.249 4.138 5 20 IIBD CCc1ccc([C@H](NCCCN2C(=O)COc3ccccc32)c2ccc([N+](=O)[O-])cc2)o1 541566502 WKSIDMRFKJRZJI-XMMPIXPASA-N 435.480 4.245 5 20 IIBD CCCc1c(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cnn1-c1cc(F)c(OC)cc1F 543123844 GCHDVRWOYSCAPM-UHFFFAOYSA-N 442.422 4.223 5 20 IIBD COc1ccc(CN[C@H](C)c2nc(-c3ccc(Br)cc3)no2)cc1[N+](=O)[O-] 544520746 WDSXNBMIQAZFHJ-LLVKDONJSA-N 433.262 4.267 5 20 IIBD COc1cccc(/C=C/c2nc(CCNc3ccccc3[N+](=O)[O-])no2)c1OC(F)F 544558106 JVBGVXOIGFBXNN-MDZDMXLPSA-N 432.383 4.413 5 20 IIBD O=c1ccccn1CCCc1noc(-c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n1 545681593 CVHWDRHEWUYLHN-UHFFFAOYSA-N 431.452 4.051 5 20 IIBD CCc1cccc(CC)c1NC(=O)[C@H](C)Sc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C 546525095 ZQYFFBQYFNENBU-ZDUSSCGKSA-N 440.525 4.086 5 20 IIBD CN(Cc1nc(-c2cc(Cl)ccc2O[C@H]2CCOC2)no1)c1ccccc1[N+](=O)[O-] 547198936 NNVXNLDQPCPWIA-AWEZNQCLSA-N 430.848 4.102 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C 550289929 VKCLGVMADCJJCG-JLTOFOAXSA-N 446.345 4.306 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc(S(=O)(=O)CC)cc1 552472129 COYJHDKGWYIZFP-CQSZACIVSA-N 436.555 4.382 5 20 IIBD O=C(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 554176336 AHJLJTSHIGQAAJ-LJQANCHMSA-N 447.476 4.491 5 20 IIBD COc1ccc(Cl)cc1N1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 555739174 RZRDKHQMBJOTOK-LBPRGKRZSA-N 443.809 4.284 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2CCC(c3ccncc3)CC2)c([N+](=O)[O-])c1 563669501 XYOYHTXCUYLBJF-UHFFFAOYSA-N 445.475 4.391 5 20 IIBD O=C(Nc1nnc(C2CCOCC2)s1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 569879705 DNXAODPAEZJVOB-UHFFFAOYSA-N 439.497 4.205 5 20 IIBD O=C(CN1CCOc2ccc([N+](=O)[O-])cc2C1)Nc1ccc(Cl)cc1C(F)(F)F 570324162 WBIHYSGXEMFYIJ-UHFFFAOYSA-N 429.782 4.100 5 20 IIBD COCC[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 576250450 UUBLBVCJGYFIQY-HNNXBMFYSA-N 433.313 4.495 5 20 IIBD Cc1c(NC(=O)C(=O)N(C)[C@H]2CCCc3ccccc32)cc(Br)cc1[N+](=O)[O-] 580988755 PSIWTJHRYOPSQU-KRWDZBQOSA-N 446.301 4.140 5 20 IIBD CC(C)(C)c1ccc(Oc2ccc(CNC[C@@H]3CCCS3(=O)=O)cc2[N+](=O)[O-])cc1 582742879 QJJCJKGIZVAMQW-IBGZPJMESA-N 432.542 4.351 5 20 IIBD CCCN(C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)[C@@H](CC)c1ccccc1 603528426 MRSFANGFVFUUJJ-IBGZPJMESA-N 434.496 4.453 5 20 IIBD O=C(NCc1cccc(C(=O)NC2CC2)c1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 603909223 BXRCQDRZHYEWCP-UHFFFAOYSA-N 444.491 4.029 5 20 IIBD CCC(CC)(C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)c1ccc(Cl)cc1 608852864 NBWZHSCYMWSGFV-UHFFFAOYSA-N 449.960 4.352 5 20 IIBD CCN(C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)[C@H]1CCCC[C@@H]1C 608965218 WHTQCNBREIAKNF-KKSFZXQISA-N 445.541 4.436 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@H]1c1cccc2c1OCCO2 608969587 DTYNEAFNGHRSRL-SFHVURJKSA-N 437.477 4.467 5 20 IIBD Cc1ccc(Cc2nnc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])s2)cc1 609381726 QIWGRCPDKSOQPR-LBPRGKRZSA-N 432.889 4.405 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](c3ccccc3Cl)OC[C@H]2C)cc1OC 609508190 CARNVWLNJIDQMJ-ZUOKHONESA-N 434.876 4.258 5 20 IIBD COC[C@H](C)n1c(C)cc(C(=O)COc2ccc([N+](=O)[O-])cc2Br)c1C 609961711 HQNVQMGQHIPIEJ-LBPRGKRZSA-N 425.279 4.245 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCC[C@H](N3CCCC3)CC2)cc1[N+](=O)[O-])c1ccccn1 609977467 LFXDHMMUJUNFHG-ICSRJNTNSA-N 437.544 4.253 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 609997644 VLMSXJRHWSILHB-ZFWWWQNUSA-N 434.851 4.276 5 20 IIBD Cc1c(Cl)cccc1NC(=O)CCNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 610101009 MUFSGQRTPLFGBV-UHFFFAOYSA-N 432.908 4.207 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cc2c(C(F)(F)F)cc(O)nc2o1 618872520 GNCZKIFWGCSFDD-UHFFFAOYSA-N 449.263 4.409 5 20 IIBD CC[C@H](OC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(N)=O 726988602 LCLLDAMAXNYABK-ZDUSSCGKSA-N 428.388 4.186 5 20 IIBD Cc1cccc(-n2nc(C(C)(C)C)cc2NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 727248452 QLXYAIRZYJXTCT-UHFFFAOYSA-N 432.477 4.326 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)N1CCC[C@@H](C2OCCO2)C1 728054733 AZWMETJPJPIMQK-OXQOHEQNSA-N 445.903 4.013 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c(C(F)(F)F)c1 729654900 IAPPRVYDIRRBCB-UHFFFAOYSA-N 443.382 4.186 5 20 IIBD COc1cc(COC(=O)Cc2coc(-c3cccs3)n2)c([N+](=O)[O-])cc1OC(F)F 730059458 YKKLPDZIEGFSDT-UHFFFAOYSA-N 440.380 4.207 5 20 IIBD CC1=C(C(=O)Nc2ccccc2C(C)C)[C@H](c2cc([N+](=O)[O-])c(F)cc2F)NC(=S)N1 731429405 XISSCTYAJWUCHV-IBGZPJMESA-N 446.479 4.428 5 20 IIBD CC[C@H](Sc1ccccc1)C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 732504667 ACPGQKWDCLBJOC-UZLBHIALSA-N 428.510 4.314 5 20 IIBD COc1cc(COC(=O)c2cnn(-c3ccccc3C)c2)c([N+](=O)[O-])cc1OC(F)F 732686317 ZOHBHZNTHJIDJV-UHFFFAOYSA-N 433.367 4.056 5 20 IIBD O=C(OCC1CCN(CC(F)(F)F)CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 735889645 UUNXZAUBTCFRBI-UHFFFAOYSA-N 429.420 4.149 5 20 IIBD CCOc1cc(CCCNC(=O)c2cc([N+](=O)[O-])ccc2Br)ccc1OC 736047661 QUOANXXQMQMDDM-UHFFFAOYSA-N 437.290 4.127 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)OC[C@@H]1CCC(=O)N(C)[C@@H]1c1cccc(Cl)c1 740606542 WOILSBQAPWPPSG-VBKZILBWSA-N 432.860 4.023 5 20 IIBD CCn1cc(N=c2scc(-c3ccc(C)c([N+](=O)[O-])c3)n2[C@H](C)COCCOC)cn1 741839459 XWWSQJFIGMICNQ-MRXNPFEDSA-N 445.545 4.106 5 20 IIBD CC(C)n1c(S)nnc1[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 742663824 UFTOZAOUBDWAMC-LLVKDONJSA-N 443.451 4.095 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H](COC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 744130097 IDOXFWQDFWVICM-GFCCVEGCSA-N 432.395 4.418 5 20 IIBD O=C(CCn1cc([N+](=O)[O-])cn1)O[C@H](c1ccccc1)c1cc(Br)ccc1F 744183808 XNVZEJIXFSEDDC-LJQANCHMSA-N 448.248 4.416 5 20 IIBD C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccc(OC(F)F)cc1 745564795 FYPPRHBBYSSQAE-VIFPVBQESA-N 448.300 4.399 5 20 IIBD Cc1ccccc1-c1noc([C@H](C)OC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 746057535 BKTWOKXGMBWYID-INIZCTEOSA-N 436.468 4.474 5 20 IIBD Cc1cc(=O)c(C(=O)OCCSc2ccc(Cl)cc2)nn1-c1ccccc1[N+](=O)[O-] 746210347 REIRXDWRVQEKRZ-UHFFFAOYSA-N 445.884 4.052 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(Cn3nc(C4CC4)sc3=S)CC2)c(C(F)(F)F)c1 746376230 KRHDEZMPZDQENF-UHFFFAOYSA-N 445.492 4.258 5 20 IIBD C[C@@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(NC(=O)c2ccccc2)cc1 748015874 XIJHCAHAMOQCPA-CQSZACIVSA-N 434.404 4.494 5 20 IIBD C[C@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccccc1-c1ccccc1 748037770 JYCBOINEBCXRAD-HNNXBMFYSA-N 430.416 4.162 5 20 IIBD CCOc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1OCC 748608282 RTVIKLPUMGWCBO-AWEZNQCLSA-N 431.445 4.408 5 20 IIBD Cc1c(C(=O)OCC(=O)Nc2ccccc2C(C)(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748950214 JCQAPHNALADSPF-UHFFFAOYSA-N 429.429 4.213 5 20 IIBD C[C@@H](OC(=O)c1ccnc2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 750042616 VZXIYOHVVBCULL-LLVKDONJSA-N 433.342 4.346 5 20 IIBD C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1Br 753837783 ZBSLIZIIUBSJTR-QVDMIQRCSA-N 446.345 4.244 5 20 IIBD O=C(Nc1cc2c(cc1Cl)OCCO2)c1cc(F)cc([N+](=O)[O-])c1Br 754965155 HEKLWYYMCBRLIJ-UHFFFAOYSA-N 431.601 4.173 5 20 IIBD CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 755514152 DQCAAXXGFAOHKM-AWEZNQCLSA-N 433.892 4.034 5 20 IIBD CC(C)(C)OC(=O)N1CCC(n2cc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cn2)CC1 756239189 NBJDDKGYCFKKID-RMKNXTFCSA-N 441.488 4.015 5 20 IIBD C[C@H](OC1CCCCCC1)C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 761335678 QOAKVVFKUJTCIK-LBPRGKRZSA-N 432.395 4.223 5 20 IIBD O=[N+]([O-])c1ccc2cnn(Cc3nc(-c4ccc(COCC(F)(F)F)cc4)no3)c2c1 761451097 RLBAKRCTLWWQDW-UHFFFAOYSA-N 433.346 4.122 5 20 IIBD CC1CCN(Cc2ccc(-c3noc(Cn4ncc5ccc([N+](=O)[O-])cc54)n3)cc2)CC1 761647037 DINUHHYDXJYHJO-UHFFFAOYSA-N 432.484 4.275 5 20 IIBD C[C@@H](OC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C(=O)Nc1ccc(N2CCCCC2)cc1 762906595 LXAJYTNCZJWTHB-OAHLLOKOSA-N 436.468 4.250 5 20 IIBD O=C(OCc1ccccc1)c1cccc(CNC(=O)c2cc(F)c([N+](=O)[O-])cc2F)c1 763442410 PGVYVINLMWIUHG-UHFFFAOYSA-N 426.375 4.160 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)C1CCCCC1 763471854 NQPLOOPCZLYUAF-MRXNPFEDSA-N 427.448 4.076 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)c1ccc(C(C)C)cc1 763746545 PLFGRMHPIMPRNR-HXUWFJFHSA-N 429.542 4.233 5 20 IIBD O=[N+]([O-])c1c(Sc2nnc(-c3ccc(F)cc3)n2Cc2ccco2)nc2ccccn12 765560184 SCCGRPXMDMRKQH-UHFFFAOYSA-N 436.428 4.433 5 20 IIBD O=C(NCc1cc2cc(Br)ccc2[nH]1)NCc1cc([N+](=O)[O-])ccc1Cl 767902773 UEIFJMWCIRWVFC-UHFFFAOYSA-N 437.681 4.491 5 20 IIBD Cn1nc2c(c1C(=O)Oc1ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c1)CCCC2 769616915 QBSFVKBWMCHJBI-UHFFFAOYSA-N 445.431 4.200 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 769895030 JILHUYLIYQEYRM-OXQOHEQNSA-N 438.933 4.345 5 20 IIBD COc1ccccc1OCC(=O)O[C@@H](c1ccc(Br)cc1)C(C)(C)[N+](=O)[O-] 774375272 PMAUPOCUCVKUBZ-SFHVURJKSA-N 438.274 4.176 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)N1CCC[C@H]1c1cccs1 778890419 HMVWVWGTYQGEDP-RISCZKNCSA-N 440.424 4.167 5 20 IIBD CC(C)(C)OC(=O)NC[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCCCC1 779197696 FQLQSPGYLGCISU-SFHVURJKSA-N 445.520 4.208 5 20 IIBD O=C(C[C@@H]1C=CCC1)Nc1ccccc1NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781650438 LKGJMWWMLOKZES-VFNWGFHPSA-N 434.452 4.021 5 20 IIBD O=C(Nc1cccc(CSC2CCOCC2)c1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781675684 XBXGNCSRQYYFCP-NRFANRHFSA-N 441.509 4.139 5 20 IIBD CCCN(C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](C)C(=O)Nc1ccccc1C 786222025 ZUIQAVUKPSCOIA-INIZCTEOSA-N 442.472 4.010 5 20 IIBD O=C(NC[C@H](O)c1ccc(Cl)cc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 786920412 ZYLJGOJWUGXBES-NRFANRHFSA-N 426.856 4.291 5 20 IIBD CC1CCN(c2ccc(C(=O)NC[C@@H](O)c3cc(F)cc(Cl)c3)cc2[N+](=O)[O-])CC1 787825469 PZJKSTRGIILWFX-HXUWFJFHSA-N 435.883 4.087 5 20 IIBD CCc1nc2ccccc2c(C(=O)O[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1C 787858212 QXVARWDPCHDQBC-CYBMUJFWSA-N 425.416 4.337 5 20 IIBD COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])c1 788363585 AQCYDDYKQWXCER-JXHRLWIKSA-N 434.448 4.443 5 20 IIBD Cc1c(Cl)cccc1NC(=O)CCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790547545 WYXBXDFEAKBMFO-UHFFFAOYSA-N 428.247 4.037 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@@H](C)c2cc3ccccc3o2)c(C)c1[N+](=O)[O-] 790821847 AMBCYMAVCDSHFQ-ZDUSSCGKSA-N 433.442 4.248 5 20 IIBD Cc1c(NC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])cccc1-c1ncco1 794630485 ALQLKBFBFMFBIG-UHFFFAOYSA-N 445.273 4.396 5 20 IIBD COc1c([N+](=O)[O-])cc(NCc2ccc3ncccc3c2)c([N+](=O)[O-])c1Br 795215040 CAAZADYNRBQXQH-UHFFFAOYSA-N 433.218 4.434 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H]1C[C@@H]2CCC(C)(C)c3cccc1c32 800622892 QIMFRGBKOFNBIP-SUMWQHHRSA-N 425.460 4.397 5 20 IIBD O=[N+]([O-])c1cccc(Br)c1CN(Cc1ccc(-n2cncn2)cc1)C1CC1 802659151 GVMSRRXQVLCHFK-UHFFFAOYSA-N 428.290 4.103 5 20 IIBD Cc1c(COc2ccccc2NC(=O)CCNC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] 809377350 MFBDMDLAFSKZKJ-UHFFFAOYSA-N 429.473 4.336 5 20 IIBD O=C(OCc1nc(Cc2cccc(F)c2)no1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811374100 APKRVVCEZRQJAJ-UHFFFAOYSA-N 426.187 4.372 5 20 IIBD CCN(CC)C(=O)CCC1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 813514965 NWTZZZSBFAIQMT-UHFFFAOYSA-N 430.332 4.402 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC[C@H]21 817001958 HJFRGCSIBVHDFK-XHDPSFHLSA-N 444.315 4.373 5 20 IIBD C[C@@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)N[C@H](C)c1ccc(Cl)cc1 822598637 OKDRNNPPMNIBIT-HUUCEWRRSA-N 445.903 4.271 5 20 IIBD C[C@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 827005656 IDOFMVOUOZUURX-NEPJUHHUSA-N 445.522 4.334 5 20 IIBD C[C@H](OC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)OCCCO2 857127377 PMHNFPOCZHKKIK-AWEZNQCLSA-N 442.468 4.238 5 20 IIBD COc1ccc(C2=N/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)O2)cc1[N+](=O)[O-] 912754400 AZYVGTXSFWUCMJ-LFIBNONCSA-N 435.348 4.116 5 20 IIBD Cc1c(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 914744303 SDIUIFLYKBOLJD-IUCAKERBSA-N 443.300 4.451 5 20 IIBD CC(C)(C)c1ccc(C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1[N+](=O)[O-] 914798524 PDKOTLFCNXXDDS-UHFFFAOYSA-N 426.385 4.208 5 20 IIBD O=C(/C=C/c1ccccc1OC(F)(F)F)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 914810050 QEFIEQWCMSDHHB-CMDGGOBGSA-N 435.314 4.300 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(-c1ccc(Cl)c([N+](=O)[O-])c1)n2CC 916369023 DCQKDRZUOUGBSC-UHFFFAOYSA-N 436.921 4.315 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCc2ccnc(N3CCCCC3)c2)CC1 917342687 DQGKMQMNSDRORO-UHFFFAOYSA-N 437.544 4.146 5 20 IIBD CN(C)S(=O)(=O)c1ccc(NCc2cccc(COc3ccccc3)c2)c([N+](=O)[O-])c1 917522956 JVWOASWXMGCIRO-UHFFFAOYSA-N 441.509 4.036 5 20 IIBD COc1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c2ccc(F)cc2)cc1 920016053 SAYLFVVPLDXJIE-NRFANRHFSA-N 439.399 4.479 5 20 IIBD Cc1ncc(Br)c(C(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)n1 1117092240 JSHDRZCJBJVZFV-UHFFFAOYSA-N 425.670 4.166 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@H](c3ccccc3)c3cnn(C)c3)cc2[N+](=O)[O-])CC1 1254637962 RCIJNQCORUDGFZ-HSZRJFAPSA-N 433.512 4.084 5 20 IIBD C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1csc2ccccc12 1518404241 PRYGUIKPQYFYCS-QWHCGFSZSA-N 427.457 4.179 5 20 IIBD Cc1noc(C)c1C(=O)Nc1ccc(C2(NC(=O)Cc3cccc([N+](=O)[O-])c3)CCC2)cc1 1787328600 ZJVBWHZABFQMPR-UHFFFAOYSA-N 448.479 4.190 5 20 IIBD O=C(CCc1ccsc1)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1 1788186244 PEUYJPJZYKIGCG-UHFFFAOYSA-N 438.509 4.365 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)Nc1ccc(C2(NC(=O)c3ccon3)CCC2)cc1 1790770662 LMMVMADEBZYGOP-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD C/C=C(/C)C(=O)Nc1ccc(C2(NC(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)CCC2)cc1 1791227147 ROCGZLXTSARMSL-BNNQUZSASA-N 433.468 4.185 5 20 IIBD CC[C@H]1CC[C@H](C(=O)N2CC3(CCCN3C(=O)c3c(F)ccc([N+](=O)[O-])c3C)C2)CC1 1845494176 UNHHIMLDLMNCQW-QAQDUYKDSA-N 431.508 4.076 5 20 IIBD CC(C)[C@H]1CC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1847996214 RJDYSARLMPPSFY-SQOUVECCSA-N 441.572 4.192 5 20 IIBD Cc1nc2cc(F)ccc2cc1C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 10859966 VEJABTJICCMKPB-LLVKDONJSA-N 431.807 4.428 5 20 IIBD Cn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1cccc(Cl)c1 14068692 VWVVVRWKSOCXGI-UHFFFAOYSA-N 438.296 4.428 5 20 IIBD COc1c([N+](=O)[O-])cc(NCCOc2ccc(C)cc2)c([N+](=O)[O-])c1Br 14213423 IRRBMTCDTVXSON-UHFFFAOYSA-N 426.223 4.073 5 20 IIBD COc1ccc(Br)cc1CN(C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 16591776 DNEQTPHYVXBHGR-UHFFFAOYSA-N 433.262 4.048 5 20 IIBD CCOc1cc(C(=O)O[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)c([N+](=O)[O-])cc1OC 18613603 LZGUQYILOOFVGJ-LBPRGKRZSA-N 436.848 4.148 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 19179801 KTSGMSIATLQPFY-UHFFFAOYSA-N 431.514 4.109 5 20 IIBD Cc1c(NC(=O)[C@H](C)Sc2nnc(-c3ccc(Cl)cc3)n2C)cccc1[N+](=O)[O-] 21760687 XBFBUXOMLNRVRB-LBPRGKRZSA-N 431.905 4.471 5 20 IIBD O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 22559717 BGXKAEIAFGWZLA-UHFFFAOYSA-N 446.492 4.430 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C(C)C 25043507 FBWJUYNMNGRMMM-CYBMUJFWSA-N 442.497 4.014 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCSc1nnc(-c2ccccc2Cl)n1C 26264825 HSGBVZDUDDTHQL-UHFFFAOYSA-N 447.904 4.173 5 20 IIBD CNC(=O)c1ccccc1NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 27401604 UJNAXPOONAGUOY-UHFFFAOYSA-N 438.871 4.472 5 20 IIBD Cc1nnc(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1Cc1ccccc1 28698241 IRSDRZBZPQWADK-LBPRGKRZSA-N 431.905 4.316 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NC[C@@H]2COc3ccccc3C2)c([N+](=O)[O-])c1 29393112 ANWBNKCHKUWARX-MRXNPFEDSA-N 446.459 4.276 5 20 IIBD CCCCN1C(=O)CC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1OC 29485378 ISDXIJLSSQYIPT-KNQAVFIVSA-N 425.485 4.322 5 20 IIBD Cc1ccc([C@H](CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])N2CCCC2)cc1 60862602 XUZKJRGTRUQMFX-QFIPXVFZSA-N 433.512 4.117 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(CNc3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2)C[C@@H](C)O1 63266122 LNNNBNBAPNXWOM-OKILXGFUSA-N 437.418 4.475 5 20 IIBD Cc1cccc(NC(=O)COc2ccc(CCNC(=O)c3cccc([N+](=O)[O-])c3C)cc2)c1 64805252 ZTHRNROEMOMSSQ-UHFFFAOYSA-N 447.491 4.202 5 20 IIBD CCOc1cc(NC(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)c([N+](=O)[O-])cc1OCC 65359404 JOYJBPNEUIFIOH-IBGZPJMESA-N 430.505 4.125 5 20 IIBD CCn1cnnc1-c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c1 97218069 BTPSRFMMFNQKKR-UHFFFAOYSA-N 434.500 4.362 5 20 IIBD COc1ccc(NC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)c([N+](=O)[O-])c1 115286093 AUQPLSNEBRAXHO-UHFFFAOYSA-N 438.436 4.452 5 20 IIBD Cn1c(Sc2ncc([N+](=O)[O-])cc2Br)nnc1-c1ccc(Cl)cc1 301577088 ZCAGCYCTKFXXMU-UHFFFAOYSA-N 426.683 4.352 5 20 IIBD C[C@@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)Sc1ccc(Br)cc1 302674454 TVEXPJYHNRQZSW-NSHDSACASA-N 445.360 4.354 5 20 IIBD CSc1ccc([C@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 410237783 LDUKSQGHRZPATC-YWZLYKJASA-N 427.526 4.107 5 20 IIBD COc1ccc(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1Br 429801651 WCDHXUJOILJWTO-UHFFFAOYSA-N 444.079 4.058 5 20 IIBD CC(C)NC(=O)c1ccc(Cl)c(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 432652846 MAZFAFAPVWNMFT-UHFFFAOYSA-N 440.681 4.401 5 20 IIBD CCCc1c(NC(=O)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cnn1-c1ccccc1C 433441801 FEISHCGSDHOIRP-QGZVFWFLSA-N 449.511 4.166 5 20 IIBD O=C1[C@@H](Nc2ccc(C(=O)N3CCc4ccccc43)cc2)CCN1c1cccc([N+](=O)[O-])c1 433697255 MNOLGBQKCXJCLX-QFIPXVFZSA-N 442.475 4.015 5 20 IIBD C[C@@H]1C[C@@H]1[C@@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 435820866 ZGLLITACQMVWHI-PKQAIAMASA-N 441.871 4.029 5 20 IIBD O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 436060743 OIPFZXAXZHCUKN-UHFFFAOYSA-N 429.495 4.215 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1O)N(CCCn1ccnc1)Cc1c(F)cccc1Cl 436973415 STXDWNKKXARPPR-UHFFFAOYSA-N 432.839 4.022 5 20 IIBD C[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@H](c2ccccc2)CO1 437716255 GTMWFWGREICSTJ-BZNIZROVSA-N 431.297 4.052 5 20 IIBD O=C(N[C@H]1CCCN(c2ccccc2)C1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444029579 IZPRBPLQTOVUMV-INIZCTEOSA-N 433.458 4.358 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCCC[C@H](S(C)(=O)=O)C3)cc2[N+](=O)[O-])cc1 444639102 KWJGAKKEGUPTLI-SFHVURJKSA-N 448.566 4.094 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1nnc(-c2ccccc2)n1C 444774484 WNOIAAKLSRGMDB-UHFFFAOYSA-N 439.541 4.111 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCCSCc1ccccc1F 445713950 LJIYTAVNHJBGDB-UHFFFAOYSA-N 427.295 4.089 5 20 IIBD CCOc1cc(NC(=O)N2CCC(Oc3ccncc3C)CC2)c([N+](=O)[O-])cc1OCC 446113709 NIKGWBPNFGWYNF-UHFFFAOYSA-N 444.488 4.171 5 20 IIBD C[C@@H](Sc1ccc(Br)cc1[N+](=O)[O-])C(=O)N[C@H]1CCOc2ccccc21 447350694 UASLRMPURJCQJF-RISCZKNCSA-N 437.315 4.478 5 20 IIBD Cc1nc(C)c(CNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)s1 461035006 YPLVGFYEEMGYQL-UHFFFAOYSA-N 426.285 4.091 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N(Cc3ccccc3F)C3CC3)n2C[C@@H]2CCOC2)c1 461572952 GQVMOOJMIDCZFK-INIZCTEOSA-N 437.475 4.198 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 462618137 DOSJYAVRUVIDHM-IAGOWNOFSA-N 433.455 4.160 5 20 IIBD O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 463014099 UGUUCSQXYBCEPH-GCJKJVERSA-N 425.485 4.068 5 20 IIBD CCOc1cc(NC(=O)C(=O)Nc2cccc(C3CCC3)c2)c([N+](=O)[O-])cc1OCC 464122682 PBGKYHBDYMVPBU-UHFFFAOYSA-N 427.457 4.237 5 20 IIBD CC(C)(CNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Cc1cccc(Cl)c1 465005080 OLUBVKZVAVCLAZ-UHFFFAOYSA-N 438.311 4.017 5 20 IIBD Cc1ccn(C)c(=O)c1NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 467882513 FOKAKMUJRJSACO-UHFFFAOYSA-N 426.860 4.120 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](Nc2cccc(Br)c2)C1 468576464 KAKZNRZZQNJDJM-GOSISDBHSA-N 432.318 4.393 5 20 IIBD Cc1cccc(C(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)c1[N+](=O)[O-] 468745845 XMRKTNBBYXDNTF-UHFFFAOYSA-N 432.274 4.154 5 20 IIBD CCOc1cc(NC(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])cc1OCC 471172478 HCFVBZRTURIDAB-SFHVURJKSA-N 442.516 4.036 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1[C@@H](C)CN(Cc2ccccc2)C[C@H]1C 472502801 QJMYTZHOIFLXNC-RQXXJAGISA-N 427.570 4.348 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCSC3(CCOCC3)C2)c([N+](=O)[O-])c1 473186532 BYGJSWOQAJCBQL-OAQYLSRUSA-N 441.553 4.181 5 20 IIBD O=C(Nc1ccc(OC(F)F)c2cccnc12)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 479257864 YBJHZGMBDGKOJQ-UHFFFAOYSA-N 425.351 4.182 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NC3CCN(C4CCCC4)CC3)cc2[N+](=O)[O-])C1 482639955 SRERPYGIAHKVAA-ROUUACIJSA-N 428.577 4.214 5 20 IIBD CCOc1cc(N2CCN(Cc3nc(-c4cccs4)oc3C)CC2)ccc1[N+](=O)[O-] 482884045 BZIYVVAFIGVWIM-UHFFFAOYSA-N 428.514 4.341 5 20 IIBD COc1cc(OC)c2cc(CCCNC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)[nH]c2c1 485529645 RYCMCTBERZSYHD-UHFFFAOYSA-N 449.410 4.057 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCc3cc(COC(C)(C)C)on3)cc2[N+](=O)[O-])C1 485542011 PTCRGDZYYQUXSB-HOTGVXAUSA-N 444.532 4.310 5 20 IIBD O=[N+]([O-])c1ccccc1CN(c1ncc(Cn2cc(Br)cn2)s1)C1CC1 485954308 PYWJFWGRSCWNRR-UHFFFAOYSA-N 434.319 4.228 5 20 IIBD Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 487081160 WWXVUBWSBAGSIJ-UHFFFAOYSA-N 437.934 4.415 5 20 IIBD CNC(=O)c1cc(Oc2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccn1 487966829 XRVQKGDBINYLEU-UHFFFAOYSA-N 426.816 4.047 5 20 IIBD COc1ccc([C@H]2CCCN2C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 488075315 OACBFYWIKMTEJH-GOSISDBHSA-N 433.892 4.355 5 20 IIBD CCNC(=O)C1(CNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CCC1 489363343 BBOXEEVGSFKJGB-UHFFFAOYSA-N 447.944 4.436 5 20 IIBD CC(C)c1c(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cnn1-c1ccccc1 489411906 WYZQKXCVFWGBFU-UHFFFAOYSA-N 449.467 4.231 5 20 IIBD CC(C)(C)OC(=O)c1ccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c(F)c1 490959961 NQIQMJQVPULFFC-UHFFFAOYSA-N 426.404 4.127 5 20 IIBD O=C(NCc1ccc(F)cc1Br)c1ccc(Br)cc1[N+](=O)[O-] 494236719 FUTALHMDRUQRFL-UHFFFAOYSA-N 432.043 4.189 5 20 IIBD O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC(=O)C1CCN(CC(F)(F)F)CC1 495912016 ZSZBTFLGSAPLLW-UHFFFAOYSA-N 435.402 4.039 5 20 IIBD CC(C)c1nc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)nn1-c1cccc(F)c1 498152416 IXVWUDRKWZKSCI-OAQYLSRUSA-N 441.488 4.326 5 20 IIBD CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 499534505 YIIUXFRADLIUAE-UHFFFAOYSA-N 448.479 4.420 5 20 IIBD Cc1ccc(OCc2nc(Cn3nc(-c4cccc([N+](=O)[O-])c4)ccc3=O)cs2)cc1 502816305 BQCSESNCRDHHBM-UHFFFAOYSA-N 434.477 4.211 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC(n4cc(Cl)cn4)CC3)cc2[N+](=O)[O-])C1 503164723 MIZQSQUMIFTQFJ-IYBDPMFKSA-N 445.951 4.404 5 20 IIBD CC(=O)Nc1ccc(CCNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 504805813 LMYBQRGQOWQSHQ-INIZCTEOSA-N 447.495 4.094 5 20 IIBD COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 504894862 KQIIDPVIDXTGDK-KRWDZBQOSA-N 435.274 4.108 5 20 IIBD O=c1c2ccccc2c(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)nn1Cc1ccccc1 505018583 LYLRNMMWZDWQOF-UHFFFAOYSA-N 425.404 4.070 5 20 IIBD O=C(CN[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)N1CCc2cc([N+](=O)[O-])ccc21 505874903 PHAFLAZHINQBII-KRWDZBQOSA-N 447.335 4.396 5 20 IIBD CCOc1cc(NC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)c([N+](=O)[O-])cc1OCC 506306311 ARRCHPPGAYMQTG-AEFFLSMTSA-N 442.516 4.349 5 20 IIBD COCc1nc(CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c(-c2ccccc2)s1 508364675 YLXINXXPSHKXJR-CYBMUJFWSA-N 429.473 4.424 5 20 IIBD CCOc1cc(CN[C@@H](c2cccc([N+](=O)[O-])c2)c2nccn2C)ccc1OC(F)F 514105507 RLIRVVYBVFGBQS-IBGZPJMESA-N 432.427 4.208 5 20 IIBD COc1cc([C@@H](C)NC(=O)COc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1 515451416 JCZYNDMZHBNQSZ-QGZVFWFLSA-N 436.464 4.439 5 20 IIBD Cc1ccc(C(=O)N[C@H](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c2ccccc2)cc1 517939087 CTFHWIDXXGTLAR-JOCHJYFZSA-N 429.476 4.354 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(Cc1ccccc1)CC1CCOCC1 518899734 GHOFCFYKAOCRJD-MRXNPFEDSA-N 432.904 4.471 5 20 IIBD CCN(C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)[C@@H](c1ccccc1)c1ccc(F)cc1 520727211 NWTHUBBVTYNYKO-QHCPKHFHSA-N 449.438 4.280 5 20 IIBD CCc1cccc2c(CCNC(=O)c3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])c[nH]c12 521133280 RYPGEOQKHLXKAS-UHFFFAOYSA-N 433.411 4.221 5 20 IIBD CCOC(=O)Cn1ccc2cc(NC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])ccc21 523954929 KKDDRZHBRWDSGX-UHFFFAOYSA-N 445.859 4.174 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3nc(Cc4ccccc4)no3)cc2)c1 524627183 CHUAOOBBPIXZJV-UHFFFAOYSA-N 436.449 4.036 5 20 IIBD C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 533056938 KLHLXXOAQQKMTF-DOMZBBRYSA-N 448.405 4.306 5 20 IIBD C[C@H](NC(=O)C[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(Cl)cc1 534061049 LOZZEDBOQIHQHW-FZPQWHJUSA-N 447.900 4.029 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@H]1CCCOc2cc(Cl)ccc21 537281656 SSJMUCGTHLGHQP-INIZCTEOSA-N 427.844 4.205 5 20 IIBD O=C1[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1c1ccc(F)c(Cl)c1 537466654 CMVXDTAFPRAFOD-GOSISDBHSA-N 446.891 4.406 5 20 IIBD O=C(Cc1cc(Cl)ccc1Cl)NCCCNc1ncnc2ccc([N+](=O)[O-])cc12 537724957 IIUNPVGHQRMBKD-UHFFFAOYSA-N 434.283 4.006 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)nn1-c1cccc(Cl)c1 538593112 XQDPSDGOTNDHOW-UHFFFAOYSA-N 432.889 4.079 5 20 IIBD C[C@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(OCc2ccccn2)c1 539254485 WQRIJLYBTKFXJG-INIZCTEOSA-N 431.452 4.470 5 20 IIBD C[C@H](C(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])cc1F 541592009 BNKMBHVZZSDWDK-KBARZSOFSA-N 437.874 4.439 5 20 IIBD COc1cc(C)c([C@H](C)NC(=O)COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC 544074025 SODGPUZINMJVAS-LBPRGKRZSA-N 442.390 4.195 5 20 IIBD C[C@H](CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1nccs1 544475669 XQMNRMJGOVPZGG-SECBINFHSA-N 426.285 4.077 5 20 IIBD O=C1C[C@@H](c2nc(CCNc3ccccc3[N+](=O)[O-])no2)CN1c1cccc2ccccc12 546376102 DTEVAHRLJJAABP-QGZVFWFLSA-N 443.463 4.306 5 20 IIBD CN1CCCN(c2ccc(-c3noc(CCc4cccc([N+](=O)[O-])c4)n3)cc2Cl)CC1 547184174 BSCLSWGJGZYABR-UHFFFAOYSA-N 441.919 4.225 5 20 IIBD O=C(CN[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)Nc1ccccc1[N+](=O)[O-] 551422062 SWYDLJVEGDVTGD-FQEVSTJZSA-N 437.418 4.310 5 20 IIBD CCOc1ccc(CNC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1Cl 551673050 INSYEBGOYURODI-UHFFFAOYSA-N 430.791 4.187 5 20 IIBD COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C 557179133 QGFPGFCHHOCXGQ-CRAIPNDOSA-N 430.526 4.246 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(NCC3CCN(Cc4ccccc4Cl)CC3)cc2N1 557339997 ATNJPNJNWUFNKL-UHFFFAOYSA-N 428.920 4.457 5 20 IIBD COc1cc(-c2nc(CC(=O)Nc3ccccc3C(F)(F)F)no2)cc([N+](=O)[O-])c1C 558382255 XBGXJFKSBPKWIG-UHFFFAOYSA-N 436.346 4.162 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1noc(Cc2ccccc2)n1 559547126 BFXQIPBUCHYSTM-GFCCVEGCSA-N 445.273 4.131 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 567417695 RZHRTWDKJWUQOB-IBGZPJMESA-N 440.443 4.224 5 20 IIBD COc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1c1nc(-c2cccc([N+](=O)[O-])c2)no1 573039492 SGOLXGOGIFSYNZ-JXFKEZNVSA-N 433.424 4.084 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(CC(=O)N[C@H](C)c2ccccc2)no1 573644029 PULIOLXMQBJMHV-GFCCVEGCSA-N 445.273 4.136 5 20 IIBD CN(C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)c1ccc(Cl)c(C(F)(F)F)c1 574362920 NQTXZUZCJIQYJV-ZDUSSCGKSA-N 445.781 4.128 5 20 IIBD COC(=O)c1nc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)sc1C(C)C 579160242 FWQXJHSPXJUUMA-UHFFFAOYSA-N 442.291 4.285 5 20 IIBD CCCNC(=O)c1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c1 603774724 MIKHNOARHSNDHK-UHFFFAOYSA-N 433.464 4.457 5 20 IIBD CNS(=O)(=O)c1ccc(N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 603868965 ZKTLBPWFFGILIA-HNNXBMFYSA-N 430.313 4.151 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1)c1ccccc1[N+](=O)[O-] 603937342 YDSNSSWFOKNNLP-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD Cc1ccc(-c2nc(CCNC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])co2)cc1 608817907 LQRLEGPCNXQDOE-UHFFFAOYSA-N 449.385 4.472 5 20 IIBD CSc1ccc(C(=O)Nc2cccc(NC(=O)NCc3ccncc3)c2)cc1[N+](=O)[O-] 609174802 OROHLNXPAHYVGR-UHFFFAOYSA-N 437.481 4.286 5 20 IIBD COc1ccc(NC(=O)CCN2CCc3[nH]c4ccc(Cl)cc4c3C2)c([N+](=O)[O-])c1 609196704 DMXDGLRREDYFPY-UHFFFAOYSA-N 428.876 4.125 5 20 IIBD Cc1cn(-c2ccccc2)nc1NC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 609289148 JWKLUZMQFGYJSM-UHFFFAOYSA-N 448.405 4.341 5 20 IIBD CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc([N+](=O)[O-])cc1Br 610059828 UDBCIGRXIVRSFA-UHFFFAOYSA-N 434.290 4.157 5 20 IIBD O=C(Nc1nc2ccccc2n1C1CC1)c1ccc([N+](=O)[O-])cc1I 611111533 LDQKBZQQNPIOFV-UHFFFAOYSA-N 448.220 4.136 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CC(=O)NC2CCCC2)CC1 611398452 ASUMHMMYEGMLCC-UHFFFAOYSA-N 433.574 4.396 5 20 IIBD Cc1ccc(Sc2ccc(CN3CCOC[C@H]3c3noc(C)n3)cc2[N+](=O)[O-])cc1 611532752 MLOCZEHGSICIJG-IBGZPJMESA-N 426.498 4.319 5 20 IIBD CC(C)N1CCN(c2cccc(N[C@@H](c3ccc([N+](=O)[O-])cc3)c3nccn3C)c2)CC1 611560310 WDTDTHAVRRGASX-QHCPKHFHSA-N 434.544 4.060 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCc3nn(C)c4ccccc34)cc2[N+](=O)[O-])n1 612711215 VNOAPFJCNYSWAW-UHFFFAOYSA-N 439.522 4.328 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1 616899899 DRSFJRQFNNFESU-UHFFFAOYSA-N 431.514 4.109 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3ccc(Cl)c(N4CCCC4=O)c3)n2)c1 618419944 GFCGLDFDZNLWTQ-UHFFFAOYSA-N 428.832 4.024 5 20 IIBD COc1cc(C(=O)OCc2csc(N(C(C)=O)c3ccccc3)n2)ccc1[N+](=O)[O-] 725946027 NZCCZNKRQFPWJK-UHFFFAOYSA-N 427.438 4.102 5 20 IIBD COc1cc(C(=O)OCC(=O)N[C@@H](c2ccc(C)cc2)c2cccs2)ccc1[N+](=O)[O-] 725949297 ZOOBSWTXUYBAQM-NRFANRHFSA-N 440.477 4.036 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N(CCc1ccccc1)Cc1ccncc1 726974221 DZBJJCGTPAXQDV-UHFFFAOYSA-N 431.901 4.077 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc2ccc(SC(F)F)cc2s1 727242975 MYZPQGWVWMOUPX-UHFFFAOYSA-N 447.466 4.329 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](c3ccccc3)CC2)cc1Br 727462358 SYQJXZLMXDTWPL-OAHLLOKOSA-N 439.331 4.316 5 20 IIBD C[C@H](Nc1ccc(C(=O)OCc2nccn2CC(F)(F)F)cc1[N+](=O)[O-])c1ccccn1 727775914 UKVHZNZMHNSBBG-ZDUSSCGKSA-N 449.389 4.279 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1cc(F)c(Cl)nc1Cl)c1ccccc1[N+](=O)[O-] 728806926 SBQHAOYADHMWEX-ZDUSSCGKSA-N 444.246 4.249 5 20 IIBD Cn1c(C(=O)OC[C@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])c(Cl)c2ccccc21 730704271 RXRVGOSLUUIUBJ-CQSZACIVSA-N 441.871 4.202 5 20 IIBD O=C1CN(CN2CCCC[C@H]2c2cc3ccccc3[nH]2)C(=O)N1c1cccc([N+](=O)[O-])c1 731026143 AKAAWBDYGSLIEB-NRFANRHFSA-N 433.468 4.029 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] 731336625 FOAWBQKCYSKBTL-UHFFFAOYSA-N 433.783 4.101 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCc1csc(Br)c1 731969432 VWCIGRVLFZPZDS-UHFFFAOYSA-N 427.248 4.027 5 20 IIBD CC[C@@H](C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)C(=O)Nc1cccc(N2CCCC2)c1 732028075 MOPCLDJHLUCXFS-VFNWGFHPSA-N 442.491 4.117 5 20 IIBD Cc1nc(Cc2ccccc2)sc1[C@H](C)OC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 739590990 GXAPVAMLTUPAEE-HNNXBMFYSA-N 449.492 4.449 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)c2ccccc2)c([N+](=O)[O-])c1 741022550 RVIBCZOJCRIWCC-QSNWEANLSA-N 439.512 4.388 5 20 IIBD COC(=O)C[C@@H]1CN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c2ccccc21 741580911 GLRQYTJTIYUTQK-GOSISDBHSA-N 437.496 4.138 5 20 IIBD Cc1nn(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(=S)n1Cc1ccccc1 743390531 MMRZMJALVIPZCY-UHFFFAOYSA-N 439.541 4.180 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 744367510 LLQHXOWVOAHTKZ-MRXNPFEDSA-N 427.360 4.410 5 20 IIBD CC(C)(C)OC(=O)N1CCC(N(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C2CC2)CC1 744392794 YQXAVEWGJLDMDC-UHFFFAOYSA-N 443.504 4.009 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1NC(=O)CC(C)C 745296866 XPVVKKMYQACSNG-HNNXBMFYSA-N 427.457 4.072 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)[C@@H](C)c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 745311126 RRUCXILHYLUMHL-RYUDHWBXSA-N 440.374 4.296 5 20 IIBD O=C(COC(=O)Cc1cccc([N+](=O)[O-])c1)N[C@@H](c1ccccc1)c1cccc(Cl)c1 745332251 FIFGJWKJTQTSEF-QHCPKHFHSA-N 438.867 4.240 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 748528604 DLZNBFMBSUMVAV-RTBURBONSA-N 449.573 4.468 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(Cl)ccc2N2CCSCC2)ccc1Cl 748699550 UHGDBPJAGBWSQU-UHFFFAOYSA-N 448.353 4.256 5 20 IIBD CC1CCN(CCCCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)CC1 749421320 GFKZDVBCFMKZQZ-UHFFFAOYSA-N 432.746 4.253 5 20 IIBD CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] 750563990 XJSNULSNBJEXLM-UHFFFAOYSA-N 432.210 4.281 5 20 IIBD C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H](O)c1c(F)cccc1Cl 751069119 ARTYYCSWOGVQEY-ANRSDYALSA-N 431.645 4.002 5 20 IIBD Cc1ccc(NCCCNC(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)c([N+](=O)[O-])c1 751097076 MNEOIPHBVXKCCF-VQIMIIECSA-N 432.546 4.064 5 20 IIBD Cc1ccc(OCc2nc(CC(=O)OCc3nc4cc([N+](=O)[O-])ccc4o3)cs2)cc1 751642290 VEWFXQCIEHOUBA-UHFFFAOYSA-N 439.449 4.366 5 20 IIBD C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 752321622 HUIBJRIHDNSWCJ-KGLIPLIRSA-N 446.529 4.094 5 20 IIBD COC(=O)c1c(C2CC2)csc1NC(=O)c1cc([N+](=O)[O-])ccc1Br 753272163 MRBYTVVVQHSXMY-UHFFFAOYSA-N 425.260 4.335 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)Nc1ccccc1Br 754986310 VZFSACAYXVDHPD-MRVPVSSYSA-N 445.628 4.334 5 20 IIBD COc1c(F)ccc(F)c1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 756675091 BNJSHQASDUDUAO-QMMMGPOBSA-N 448.300 4.084 5 20 IIBD CCOc1cc(C(=O)Nc2cnc(Cl)c(Br)c2)c([N+](=O)[O-])cc1OC 759159156 IHEBFKAOTWITKP-UHFFFAOYSA-N 430.642 4.065 5 20 IIBD O=C(CC1CCCC1)NC1CCC(C(=O)O[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 759954266 WLXYOCSKVUXMLL-NTFDOXNWSA-N 446.548 4.074 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(Br)c([N+](=O)[O-])c1 760452025 RYTXZTMNRBGGAE-UHFFFAOYSA-N 448.185 4.278 5 20 IIBD C[C@H](c1nc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)no1)n1nnnc1C(C)(C)C 761857375 IBEDHROWVUOWNY-CYBMUJFWSA-N 435.444 4.330 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1nc(COc2ccc(F)cc2)no1 763809452 AFYIXKIPDMHYGD-UHFFFAOYSA-N 433.417 4.165 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 765616689 ISBSRZRTLKBYSA-UHFFFAOYSA-N 428.794 4.391 5 20 IIBD O=[N+]([O-])c1ccc([C@@H](O)CN[C@H](Cc2ccccn2)c2ccc(Br)cc2)cc1 765850643 YPMASWDRXHAERD-RTWAWAEBSA-N 442.313 4.359 5 20 IIBD COc1cc(N2CCC(OC(=O)c3cnc(-c4ccccc4)nc3C)CC2)ccc1[N+](=O)[O-] 766382298 WPIMAEPSRCHMCD-UHFFFAOYSA-N 448.479 4.195 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c1 773403917 GPHTWNAPRYHTLF-UHFFFAOYSA-N 444.513 4.257 5 20 IIBD C[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1CNC(=O)OC(C)(C)C 774695229 OAABLFYBNHHPNG-BLLLJJGKSA-N 426.901 4.405 5 20 IIBD COCCN(C(=O)[C@@H](F)Cc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 777885790 CCAJAWTZSUCOKE-SFHVURJKSA-N 429.473 4.279 5 20 IIBD CCOCCOc1ccc(Br)cc1NC(=O)c1cc(F)ccc1[N+](=O)[O-] 779034302 WEUSIKLBOXMQSU-UHFFFAOYSA-N 427.226 4.164 5 20 IIBD C[C@@H](OC(=O)C(C)(C)N(C)C1CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 779122280 GVJMFSMPAHXAKC-GFCCVEGCSA-N 445.438 4.137 5 20 IIBD COc1cccc2[nH]cc(CC(=O)N(Cc3nnc(-c4cccc([N+](=O)[O-])c4)o3)C(C)C)c12 779336982 FVSRDDMAVFYBDE-UHFFFAOYSA-N 449.467 4.114 5 20 IIBD COC(=O)c1ccc(Cl)c(COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 781228799 CMBDPOWWADHIQL-UHFFFAOYSA-N 435.863 4.338 5 20 IIBD CC(C)[C@H](NC(=O)COC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccccc1 781672866 GYXVNWSWNFPXIX-SFHVURJKSA-N 435.274 4.028 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCC[C@@H](COc2ccccc2Cl)C1 781708954 BFLKCJYNSCWFEM-OAHLLOKOSA-N 447.875 4.407 5 20 IIBD CC(C)[C@H]1CN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1C(=O)OC(C)(C)C 781985488 RAPVTMSIENHPAW-MAUKXSAKSA-N 445.520 4.283 5 20 IIBD COC(=O)N(C)Cc1ccc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 785815386 IVTGAGMCAJRNPH-UHFFFAOYSA-N 440.378 4.134 5 20 IIBD Cc1ccc(NC(=O)COc2cc([N+](=O)[O-])ccc2Br)c(Br)c1 786745303 DBPJEJCFYHHPIQ-UHFFFAOYSA-N 444.079 4.446 5 20 IIBD O=C(COC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccc(SC(F)F)cc1 790741544 NWPRGIHKZPUOKP-UHFFFAOYSA-N 448.806 4.426 5 20 IIBD Cc1ccc(Cn2cccc(NC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])c2=O)cc1 790901655 HOWLUQLAFCXNTN-UHFFFAOYSA-N 429.835 4.087 5 20 IIBD COC(=O)CCSc1cccc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c1 790966886 XBNVXYDFILDAKY-UHFFFAOYSA-N 426.853 4.224 5 20 IIBD CC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1nc(C(F)(F)F)cs1 795866844 LBAQJWQFHARIFY-QMMMGPOBSA-N 447.819 4.292 5 20 IIBD Cc1nc(C(F)(F)F)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 796225957 CZXSNDLDOQIBDZ-UHFFFAOYSA-N 430.282 4.104 5 20 IIBD Cc1cc(OCC(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c32)ccc1[N+](=O)[O-] 797493454 OCKKZRSROIPXMA-UHFFFAOYSA-N 427.457 4.218 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 800144649 ZJMXSBFWWJHYSL-UHFFFAOYSA-N 430.314 4.410 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 800144935 LLDPWINGNNGTFS-UHFFFAOYSA-N 449.504 4.248 5 20 IIBD Cc1csc(Sc2ccc(C(=O)OCc3ncnn3C(C)(C)C)cc2[N+](=O)[O-])n1 801200425 MNJQDQUDNBEZFE-UHFFFAOYSA-N 433.515 4.214 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](O)c1cccc(Br)c1 802312138 YTBPAPCZFDDTTE-MRXNPFEDSA-N 439.331 4.323 5 20 IIBD CCN(C)C(=O)c1cccc(S(=O)(=O)Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])c1 808284574 IAOBGBQWJMHFDE-UHFFFAOYSA-N 440.477 4.121 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])C[C@@H]21 814123735 VWEACMOALCPVLC-XYJFISCASA-N 431.533 4.024 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ccc(C(F)(F)F)cn2)cc1)c1cccc([N+](=O)[O-])c1 844259903 URRYZEMDKBOJKN-UHFFFAOYSA-N 431.326 4.480 5 20 IIBD C[C@H](OC(=O)c1cc(Cl)ccc1N)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 848938792 SDHNAFNNXZCLKM-QMMMGPOBSA-N 431.754 4.033 5 20 IIBD COc1ccc(Br)cc1CN(C)C(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F 854231167 FNDRPVZILOAHLH-UHFFFAOYSA-N 429.217 4.225 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Oc1ccc(C(C)C)c(C)c1 912585817 KRYBEQVSWLEFPK-HXUWFJFHSA-N 430.526 4.484 5 20 IIBD CCOc1ccc(-c2noc(COC(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)n2)cc1 913261505 KBLYCRBEQKIZSQ-UHFFFAOYSA-N 438.440 4.001 5 20 IIBD O=c1c2cnn(-c3cccc(C(F)(F)F)c3)c2ncn1Cc1ccc(Cl)c([N+](=O)[O-])c1 915668482 AUMKKUJIYVWZKG-UHFFFAOYSA-N 449.776 4.211 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)cc2F)C[C@@H](C)O1 916411888 AEJQARJQWWLBFS-OKILXGFUSA-N 428.464 4.174 5 20 IIBD COc1cc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)ccc1NC(=O)OC(C)(C)C 916432163 RVGFBZSJRORUIP-UHFFFAOYSA-N 446.416 4.419 5 20 IIBD COc1ccccc1[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)OC(C)(C)C 917088777 LVXRUOHRTFQZPN-INIZCTEOSA-N 432.433 4.190 5 20 IIBD CCN(C(=O)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)c1ccccc1 917769481 AHMDHRJRQLJPFT-UHFFFAOYSA-N 448.435 4.351 5 20 IIBD Cc1cc(OC(C)C)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 918162627 ZVOPNBZFAQZYPI-UHFFFAOYSA-N 429.292 4.254 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)C(=O)NCc1ccccc1F 919193669 ZOVWODKSWWJGOP-HNNXBMFYSA-N 438.411 4.388 5 20 IIBD O=C(COC(=O)c1ccc(Oc2ccccc2)nc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 919385290 IJWODFPUFHTYRN-UHFFFAOYSA-N 427.800 4.231 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 919686131 CWHZBFAFILPEED-ZDUSSCGKSA-N 437.412 4.332 5 20 IIBD COC(=O)c1ccc([C@@H](C)OC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)o1 920544276 LCFNNZAHGAHJPI-UONOGXRCSA-N 439.424 4.461 5 20 IIBD CCn1nc(-c2nnc([C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])o2)c2ccccc2c1=O 1118357707 WXAKKAUPMCFWAP-NSHDSACASA-N 441.831 4.168 5 20 IIBD COc1ccc(Br)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Br 1252032247 LWRXMRRMEOOZFD-UHFFFAOYSA-N 430.052 4.381 5 20 IIBD CCOc1cc(NC(=O)NCc2ccc(Br)o2)c([N+](=O)[O-])cc1OCC 1320560027 XLVZGOQDIHFPCE-UHFFFAOYSA-N 428.239 4.069 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCc1nc(Cc2ccccc2)no1 1518778493 FDVUYFHILFTSEA-UHFFFAOYSA-N 426.498 4.042 5 20 IIBD Cn1ccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccccc4[N+](=O)[O-])CCC3)cc2)c1 1787240319 NXCWISFDRBEBBG-KPKJPENVSA-N 444.491 4.394 5 20 IIBD CC1=C(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])cc4F)CCC3)cc2)CCO1 1788327456 YUHDNEZTXBBIAS-UHFFFAOYSA-N 439.443 4.176 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3cccc(F)c3[N+](=O)[O-])cc2)CCC1)c1cncs1 1790697948 CSQHKZJDKIKSJR-UHFFFAOYSA-N 440.456 4.252 5 20 IIBD O=C(Cc1ccncc1)NC1(c2ccc(NC(=O)c3cccc(F)c3[N+](=O)[O-])cc2)CCC1 1790698486 BHCIVJWZLKDRCF-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD O=C(Cc1cc([N+](=O)[O-])ccc1F)NC1(c2ccc(NC(=O)C34CC(C3)C4)cc2)CCC1 1792033459 LLSAYDBMELPDHO-UHFFFAOYSA-N 437.471 4.211 5 20 IIBD Cn1cccc1C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])cc2)CCC1 1792315697 RVDMLKNLZSMLLE-NTEUORMPSA-N 444.491 4.394 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(Cl)c(F)c1 1800523548 JLULZBZVHANIBI-MUJYYYPQSA-N 449.841 4.092 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc(Cl)c1)c1ccc([N+](=O)[O-])cc1F 1803672043 RPCABMLKMCYXKM-MUJYYYPQSA-N 449.841 4.092 5 20 IIBD Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3cccc([N+](=O)[O-])c3)[nH]n2)cc1 1820594091 LGWCTJKFPPPWAW-OAQYLSRUSA-N 447.495 4.175 5 20 IIBD CC(C)=CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)[nH]n1 1820804126 NMKCBTABGCFBGH-LJQANCHMSA-N 441.488 4.076 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCC([C@@H]2CCCCN2C(=O)c2cccs2)CC1 1825774753 CKAPYSXKNOISDB-IWHGQQBYSA-N 443.525 4.196 5 20 IIBD O=C(c1cccc(F)c1[N+](=O)[O-])N1CCC([C@@H]2CCCCN2C(=O)C2CCCC2)CC1 1826255580 GJCBDFISQZPAOI-FQEVSTJZSA-N 431.508 4.157 5 20 IIBD Cc1scc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)c1C 1829829164 DCSCWHJKGLGQSL-LJQANCHMSA-N 444.557 4.148 5 20 IIBD C/C=C/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 1831295275 ZKUQPWRDLHDFRQ-SMQCQUJFSA-N 443.519 4.028 5 20 IIBD C[C@]1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)CC=CCC1 1832400227 IQOHGJZMHKZNGC-MBSDFSHPSA-N 429.517 4.168 5 20 IIBD CC1=CC[C@H](C(=O)N2CC3(CCCN3C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C2)CC1 1845739062 ICXANDWMWGVBRV-INIZCTEOSA-N 439.537 4.373 5 20 IIBD CCC[C@H]1CC[C@H](C(=O)N2CC3(CCCN3C(=O)Cc3ccc([N+](=O)[O-])cc3F)C2)CC1 1845919724 RAKFYNXFYWZLGW-IYARVYRRSA-N 445.535 4.086 5 20 IIBD Cc1ccc(NC(=O)CSc2nnc(NC(=O)c3ccccc3[N+](=O)[O-])s2)c(C)c1 8791056 SYWHBBUPPIXJFE-UHFFFAOYSA-N 443.510 4.046 5 20 IIBD O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)Nc1cc([N+](=O)[O-])ccc1F 9639515 UOQMBUOJHMAYHL-UHFFFAOYSA-N 431.424 4.197 5 20 IIBD Cc1ccc(-c2nc(C)sc2CC(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 11219762 HXPFNHJIXKWJRW-UHFFFAOYSA-N 443.456 4.199 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(F)c3c2C(=O)C[C@H]3C)c([N+](=O)[O-])c1 15141314 RLAYVHCIAKNNLQ-GFCCVEGCSA-N 436.461 4.247 5 20 IIBD CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1 15408357 YOLXMLAJOQAZEW-UHFFFAOYSA-N 441.465 4.047 5 20 IIBD C[C@H](OC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 19426215 XDLBWRGNIUIHSZ-ZDUSSCGKSA-N 429.429 4.126 5 20 IIBD Cc1ccc(N(Cc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 21042068 OJGFMINAOPHQRK-UHFFFAOYSA-N 440.477 4.070 5 20 IIBD CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 21613120 ZFCCPKNETFYRHU-UONOGXRCSA-N 428.441 4.079 5 20 IIBD C[C@@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]1c1cccs1 22559826 DQWGLXHOMDOIEZ-CRAIPNDOSA-N 443.525 4.166 5 20 IIBD COc1cc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc(OC)c1OCc1ccccc1 58409767 IBLAFCVNSSDTMT-UHFFFAOYSA-N 434.448 4.394 5 20 IIBD O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 58911264 XXEZGMTUZIMLHE-UHFFFAOYSA-N 427.392 4.435 5 20 IIBD COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 63494322 NSZKLLMSNVBWIZ-JOCHJYFZSA-N 433.420 4.146 5 20 IIBD CCS(=O)(=O)Nc1ccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1C 65111838 SRVIWVJJSAYSKW-UHFFFAOYSA-N 446.510 4.041 5 20 IIBD CC(C)Oc1ccc(CC[C@@H](C)Nc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 71968759 YPWGJZGSNQOLQP-GOSISDBHSA-N 441.528 4.288 5 20 IIBD CCN(CC)CCn1c(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)nc2ccccc21 104788778 NBFMUXZCTFNFLK-MRXNPFEDSA-N 441.557 4.406 5 20 IIBD COc1ccc(C(=O)N2CCC(NCc3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)cc1OC 237431203 MDBCXUAIAJEEHO-UHFFFAOYSA-N 441.528 4.130 5 20 IIBD Cn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1[C@H]1COc2ccccc2O1 301076924 HVQNNCTZMIKSGQ-CQSZACIVSA-N 438.387 4.406 5 20 IIBD CC[C@H](Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-])c1nc(C)cs1 301192666 XHACRVHMIFWRMB-INIZCTEOSA-N 438.575 4.488 5 20 IIBD O=C(Nc1ccc(Br)cc1)C1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 301752218 VIQLIOLFVOGQCP-UHFFFAOYSA-N 439.697 4.261 5 20 IIBD O=[N+]([O-])c1cncc(Br)c1N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 301876990 IXMGPSKEDQGMFK-GFCCVEGCSA-N 448.252 4.325 5 20 IIBD Cc1cccc(Oc2ccc(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)cn2)c1C 303578211 CZXFRFUDHKEJON-UHFFFAOYSA-N 430.424 4.232 5 20 IIBD CCN(CC)CCCNC(=O)C1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 303582132 MUJIGFBRWIPJOU-UHFFFAOYSA-N 446.595 4.088 5 20 IIBD CC(C)=CCSc1ccccc1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 303798468 AIANLEOYYKKHKT-UHFFFAOYSA-N 439.537 4.251 5 20 IIBD Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)sc1Cc1ccccc1F 409539449 ZMJHUKRSNARGAF-UHFFFAOYSA-N 425.438 4.030 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCc1ccccc1Sc1ccccc1 410363375 FRXORHKVYGCFTR-UHFFFAOYSA-N 435.505 4.182 5 20 IIBD CC(C)(CO)[C@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1 425923884 ULYCRARBKBYYMG-GOSISDBHSA-N 439.434 4.215 5 20 IIBD O=C(c1ccc(I)c(Cl)c1)N1CCc2c1cccc2[N+](=O)[O-] 426334420 ZWTLDCFSAFLJDF-UHFFFAOYSA-N 428.613 4.056 5 20 IIBD CN(Cc1ccc(Br)c(F)c1)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 427568827 KESFOTUGAXUQKY-UHFFFAOYSA-N 448.248 4.082 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N(Cc1ccc(F)cc1)C1CCOCC1 427742178 OVDBWFYLKIWSOS-UHFFFAOYSA-N 441.503 4.158 5 20 IIBD COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 428618216 BSGZNMZHXPFSSY-GOSISDBHSA-N 429.860 4.021 5 20 IIBD C[C@@H]1CC[S@@](=O)CCN1C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 432459261 YFOVJGOSLLTYQJ-DBDZUICISA-N 438.958 4.383 5 20 IIBD COC(=O)c1cccc(NC2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC2)c1 433337375 YLPQAGHOBZRZJY-UHFFFAOYSA-N 439.493 4.313 5 20 IIBD C[C@@H](C(=O)N(CCn1ccnc1)Cc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1F 435334633 HAWUWRUGXCJAAV-OAHLLOKOSA-N 430.867 4.416 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)F)cc1Sc1nnc(NCc2ccc(F)cc2)s1 436277391 XRJVFBGFCNPDGB-UHFFFAOYSA-N 431.396 4.763 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 439765868 HKAUWNBWNHZPAD-JTQLQIEISA-N 426.256 4.116 5 20 IIBD CC(C)CN1CCC[C@@H](CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 444253793 PYUFTTYQDMYZED-HNNXBMFYSA-N 427.495 4.057 5 20 IIBD CC[C@@H](CCO)CNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 447407572 BGFWVOGUZIEWPH-ZDUSSCGKSA-N 439.871 4.387 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCCN(Cc2ccccc2)CC1 447672716 VAISYWHGBYXUSB-UHFFFAOYSA-N 430.377 4.356 5 20 IIBD O=C(c1ccc2cc(Br)ccc2c1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 448245013 ZSVRGRIRZQXFKN-QGZVFWFLSA-N 441.285 4.232 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(CNc3ccc([N+](=O)[O-])c(OC(F)F)c3)cc2)C[C@@H](C)O1 462377258 AIITYFULUHNOOG-ZIAGYGMSSA-N 435.427 4.058 5 20 IIBD CCC(CC)c1cc(CNc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])on1 462907453 SDDBIKFJOSMNEU-UHFFFAOYSA-N 436.534 4.273 5 20 IIBD COc1ccc(C[C@@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])c2ccc(OC)cc2)cc1 463299677 GDYLUFAJAXAJAK-JOCHJYFZSA-N 449.507 4.148 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](COCc1ccccc1)c1ccccc1 464029941 SXDXIAAYMWZQMD-NRFANRHFSA-N 447.491 4.224 5 20 IIBD Cc1sc(S(=O)(=O)Nc2cc(C(=O)N3CCCCC3)ccc2Cl)cc1[N+](=O)[O-] 466972270 CXUUCAONKRJOHB-UHFFFAOYSA-N 443.934 4.045 5 20 IIBD CCc1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cnn1-c1ccccc1 468183614 PMFYBOCTLPVLOL-UHFFFAOYSA-N 429.274 4.287 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H](C)c1sc(-c2ccccc2)nc1C 469670196 KYRSQPRKQUUABP-OAHLLOKOSA-N 438.509 4.493 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nc(-c2ccccc2)c(CC(=O)OC)s1 470848340 LCJTUJYFEXIDGJ-UHFFFAOYSA-N 441.465 4.085 5 20 IIBD COc1ncc(C)cc1NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 471413635 ZJNYFQRBCXVMSM-UHFFFAOYSA-N 438.406 4.181 5 20 IIBD Cc1ccc(CNC(=O)C2CCN(C(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)CC2)cc1F 475558279 IQSGNCTXZXOURX-UHFFFAOYSA-N 442.491 4.219 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 475854148 WRDJOSSMWPCHRT-SFHVURJKSA-N 437.265 4.029 5 20 IIBD COc1cc(C(=O)N2C[C@@H](C)Oc3c(Cl)cccc32)c([N+](=O)[O-])cc1OC(F)F 476105651 BXYIPAQGVZKLRX-SECBINFHSA-N 428.775 4.286 5 20 IIBD COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 476343343 SKRPNGZIQSOFFJ-AWEZNQCLSA-N 442.921 4.011 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)N(CCO)Cc1cccnc1 476344839 BIDPVSDTEXJRHS-UHFFFAOYSA-N 443.912 4.429 5 20 IIBD CC(C)(C)[C@H]1C[C@H](NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CCO1 480945272 LQETXKVEKOBVOY-BDJLRTHQSA-N 441.315 4.411 5 20 IIBD C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)Oc1ccccc1Br 482811367 SUONUOSUVBGDHT-NSHDSACASA-N 427.682 4.137 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 483302254 WZRILJSNQDRLHD-KGLIPLIRSA-N 428.514 4.237 5 20 IIBD Cc1nn(-c2ccccc2)cc1CCCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 485221141 DYIUVDGJENKYJW-UHFFFAOYSA-N 433.512 4.396 5 20 IIBD CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 485652385 CFQMNXFAUVRNDB-LJAQVGFWSA-N 426.441 4.496 5 20 IIBD CN(C)[C@@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccsc1 486364588 AUMLKINSOZQYSM-NRFANRHFSA-N 425.510 4.268 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCO[C@@H](COCC2CC2)C1 486509744 QFLLHKAUUHQPCM-OAQYLSRUSA-N 427.457 4.046 5 20 IIBD C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1nc(C(F)(F)F)cs1 486830404 YQYXGTCVNDHMEB-LURJTMIESA-N 449.354 4.128 5 20 IIBD O=C(N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1(c2cccc(Br)c2)CCCC1 487103985 YIUPBXVYDPGOLJ-UHFFFAOYSA-N 447.333 4.229 5 20 IIBD O=[N+]([O-])c1c[nH]c2ccccc2c1=Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 488060265 WBBCRUYIKXWSDQ-UHFFFAOYSA-N 433.489 4.424 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)CN(C)C)cc1 489874650 XFYMACIKEBULIT-UHFFFAOYSA-N 430.530 4.095 5 20 IIBD COc1cccc([C@H](CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)N2CCCC2)c1 489912192 DXYNICOIXWKYEX-JTSKRJEESA-N 426.517 4.109 5 20 IIBD CC(C)(C)OC(=O)c1ccc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c(F)c1 490928949 LUVJVLJFYVNLRX-UHFFFAOYSA-N 426.404 4.127 5 20 IIBD CCOc1ccc(C2(CNC(=O)c3ccc([N+](=O)[O-])c4cccnc34)CCOCC2)cc1 498186162 QUIMAMUPLYGSHM-UHFFFAOYSA-N 435.480 4.020 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCN(Cc2cccs2)CC1 502079036 HJAQTSGLEHGZOH-UHFFFAOYSA-N 433.331 4.289 5 20 IIBD CCOc1cc(C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)c([N+](=O)[O-])cc1OC 506015224 QQCGCWCZEBLHHU-UHFFFAOYSA-N 439.390 4.132 5 20 IIBD COc1cc([N+](=O)[O-])ccc1OCC(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 509051490 OOACPUQIQWUGRS-HXUWFJFHSA-N 445.475 4.412 5 20 IIBD COc1ccc(C[C@H](NCc2cc(OC)c(O)cc2[N+](=O)[O-])c2ccc(OC)cc2)cc1 509617795 KNGXSUQQTBIXDX-NRFANRHFSA-N 438.480 4.400 5 20 IIBD COc1cccc([C@H](C)NC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])c1 509927700 JFQJTAPTEOSVMA-ZDUSSCGKSA-N 443.481 4.139 5 20 IIBD Cc1c(Br)cc(C(=O)N(Cc2ncc[nH]2)c2cccc(F)c2)cc1[N+](=O)[O-] 511268376 RSIMFKYKHDVTDQ-UHFFFAOYSA-N 433.237 4.375 5 20 IIBD CC[C@@H]1CN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C[C@@H](C)[S@@]1=O 512468126 IDJWQVHLNPGTDN-RLLBIIETSA-N 449.960 4.159 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](c1ccc2c(c1)CCCC2)c1cccs1 515153357 BSRJDIMMDQNJFV-NRFANRHFSA-N 435.505 4.379 5 20 IIBD CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 515403278 BJPKRUPPHQUGNH-UCLAIMLFSA-N 433.302 4.438 5 20 IIBD O=C(COc1ccc(-c2ccccc2)cc1[N+](=O)[O-])Nc1cccc(N2CCCC2=O)c1 516344407 RODYBWPUEFBQGS-UHFFFAOYSA-N 431.448 4.406 5 20 IIBD C[C@@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccncc2)cc1 517045256 YHJPJLWHMDTNER-MRXNPFEDSA-N 432.480 4.397 5 20 IIBD C[C@@H]1CCC[C@@](CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)(N(C)C)C1 518807503 SUWOQEKJYXPSDO-QZTZHPFYSA-N 439.560 4.403 5 20 IIBD CCNC(=O)Nc1cccc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1 521476799 ZZIFYIJIRKGDSC-HZPDHXFCSA-N 439.516 4.471 5 20 IIBD Cc1nn(CCC(=O)N2CCC[C@@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)c(C)c1[N+](=O)[O-] 522856197 KJQHJJTUIRVUQD-GOSISDBHSA-N 442.907 4.205 5 20 IIBD CCC1(CC)CCN(C(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 531278165 RNWXFTQLZLBQMI-UHFFFAOYSA-N 431.514 4.048 5 20 IIBD CCOc1cc(NC(=O)c2cc(N3CCCC3=O)ccc2Cl)c([N+](=O)[O-])cc1OCC 534057205 YDQCUBATXONHCG-UHFFFAOYSA-N 447.875 4.425 5 20 IIBD CN1CC[C@@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]1c1ccc(Cl)c(F)c1 534959384 GKFRERGYRKELBW-RCDICMHDSA-N 444.894 4.220 5 20 IIBD O=[N+]([O-])c1cc2c(c(CSCc3cn(-c4ccc(F)c(Cl)c4)nn3)c1)OCOC2 542104266 DNOXHEKMCUBQIJ-UHFFFAOYSA-N 436.852 4.268 5 20 IIBD O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCOCC2(CCOCC2)C1 542346603 MIQJNHLQSUUTTF-UHFFFAOYSA-N 428.510 4.015 5 20 IIBD O=[N+]([O-])c1cc(F)ccc1-c1nc(Cc2cccc(F)c2I)no1 545785320 HODJKNMQHAVCPZ-UHFFFAOYSA-N 443.147 4.118 5 20 IIBD CCN([C@H](c1cccnc1)c1ccc(F)c(C)c1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] 546068781 DOXKBDUSQVFBBE-QFIPXVFZSA-N 443.500 4.379 5 20 IIBD CCO[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)[C@]12CCCO2 546757663 FKFBOANQTPHGJE-KCZVDYSFSA-N 428.510 4.202 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1noc(-c2ccc(S(=O)(=O)C3CCCC3)cc2)n1 547087789 XNJRCDUQCNWJTI-UHFFFAOYSA-N 442.497 4.016 5 20 IIBD C[C@@H](NC1(Cc2ccc(F)cc2Cl)CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 550409647 SMDONROSFDTOPH-CQSZACIVSA-N 435.883 4.096 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Cc3nc(C(C)C)no3)cc2)c1[N+](=O)[O-] 555428050 CPMDHQDAYZPKBJ-UHFFFAOYSA-N 430.486 4.110 5 20 IIBD CCC(CC)(CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccccc1 560224141 DVNVRTJYAJHENB-UHFFFAOYSA-N 448.317 4.170 5 20 IIBD COc1cc(CN[C@@H](CO)c2ccc(F)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 561497177 SASBPPFBUSMZEA-NRFANRHFSA-N 426.444 4.145 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)cc1[N+](=O)[O-] 564754368 BYFDCIKYNQZVLC-FUHWJXTLSA-N 428.489 4.494 5 20 IIBD Cc1cc(=O)c(C(=O)N[C@H](C)c2ccc(F)c3ccccc23)nn1-c1ccccc1[N+](=O)[O-] 565447606 LNZPMHQJCLCBRC-OAHLLOKOSA-N 446.438 4.232 5 20 IIBD O=C(NC1CC1)c1ccc(CN(Cc2ccco2)c2ncnc3sc([N+](=O)[O-])cc23)cc1 569015313 GEEPMUBSAPDYIT-UHFFFAOYSA-N 449.492 4.292 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CNCc2ccc(Br)cc2)c1 569293758 SPJQHGQGOWVQNB-UHFFFAOYSA-N 447.070 4.252 5 20 IIBD COc1cc(CN2CC[C@@H](C3CCN(C)CC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 573407438 NWECTCFUZUIEIR-JOCHJYFZSA-N 439.556 4.346 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCn2c(cc3c(Cl)cccc32)C1 573551098 SKKOKCCYXCBGGF-UHFFFAOYSA-N 428.876 4.056 5 20 IIBD COc1cc(Cc2noc([C@@H](C)Oc3ccc4c(c3)CCC4)n2)c([N+](=O)[O-])c(OC)c1 574360316 SMOBSSVJHRADBG-CYBMUJFWSA-N 425.441 4.215 5 20 IIBD COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 576389971 KAAQDGAPXAROKE-CYBMUJFWSA-N 435.864 4.088 5 20 IIBD COc1cc(Cc2noc(/C=C/c3ccc(OC(F)F)cc3)n2)c([N+](=O)[O-])c(OC)c1 577693509 ALPXTPZENRFSNO-VMPITWQZSA-N 433.367 4.358 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(N(C(C)=O)[C@H]3C[C@@H]3C)cc2)cc1[N+](=O)[O-] 584134148 ZFOHEKXKUPYQKE-LIRRHRJNSA-N 443.525 4.237 5 20 IIBD COCC[C@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 585740213 NIBAKRYGXBHYDU-KRWDZBQOSA-N 433.313 4.099 5 20 IIBD COc1ccc(S(=O)(=O)N2CCc3sccc3[C@H]2c2cccs2)c([N+](=O)[O-])c1 591587345 OEHAVAAILHFGTM-SFHVURJKSA-N 436.536 4.063 5 20 IIBD Cc1cc(N(C)C)ccc1NC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 603660388 LEQZVHRSLGPDKZ-LJQANCHMSA-N 428.489 4.174 5 20 IIBD CN(CC(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)Cc1ccccc1[N+](=O)[O-] 603874797 VPJTYLDDDGREAV-JOCHJYFZSA-N 442.519 4.456 5 20 IIBD COc1cccc(C[C@@H]2CCCN2CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1 603909419 VKOMMNGTXQQKJD-HNNXBMFYSA-N 448.317 4.012 5 20 IIBD C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 608796738 GKYSWDFYZBTVID-VIFPVBQESA-N 430.675 4.241 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)c(Cl)c1 608887382 XAPLPHXFSCZFIV-UHFFFAOYSA-N 449.891 4.216 5 20 IIBD Cc1ccc(NC(=O)c2ccc(Sc3nnc(-c4ccncc4)n3C)c([N+](=O)[O-])c2)cc1 608972602 ZQTBVSSNJWITNG-UHFFFAOYSA-N 446.492 4.497 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCCO[C@@H](c2ccccc2)C1 609230698 OVSDAAJRLAFPRY-LJQANCHMSA-N 437.418 4.406 5 20 IIBD O=C(Cc1coc(-c2cccs2)n1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 609262195 SPALCONQRLBZCK-UHFFFAOYSA-N 425.388 4.445 5 20 IIBD O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)Nc1cccc(Sc2ccccc2)c1 609382226 DCHRQOKJJRGYFZ-UHFFFAOYSA-N 436.493 4.184 5 20 IIBD COc1cc(C(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)cc([N+](=O)[O-])c1OC 610171631 OZGWAJWUVJXYDG-OAHLLOKOSA-N 437.452 4.077 5 20 IIBD O=C(c1cccc2ccccc12)N1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 610273111 WSKMTBIVDGPMRI-UHFFFAOYSA-N 427.407 4.312 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@@H]1c1ccccc1Br 610676335 ZKFFMYNHDGVTAW-QGZVFWFLSA-N 446.301 4.492 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H](C)[C@H]2CCCCO2)cc1[N+](=O)[O-] 611476477 HTZSBTLGGZQKAG-AUUYWEPGSA-N 428.510 4.235 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)CCc1nnc(-c2cc3ccccc3o2)o1 726323663 MVTYGQSOPCXMHA-UHFFFAOYSA-N 437.408 4.466 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@H](OC1CCCC1)c1ccccc1 727018056 QVEKKKIBAXNBSC-YCRPNKLZSA-N 442.468 4.174 5 20 IIBD CN(CC1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1)C(=O)OC(C)(C)C 728909336 CDYFKRGOZCSONW-UHFFFAOYSA-N 428.327 4.441 5 20 IIBD O=Cc1ccc(OCC(=O)N[C@@H](c2ccc(F)cc2)c2ccccc2Cl)c([N+](=O)[O-])c1 731612389 SPKXQVVOHSKLPJ-QFIPXVFZSA-N 442.830 4.484 5 20 IIBD CN(C[C@H]1CCCO[C@H]1c1ccccc1)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] 732009621 KNWGKYNYGNCYMT-BEFAXECRSA-N 440.468 4.195 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 732021137 TZLXWBHQESYLCQ-QGZVFWFLSA-N 425.913 4.452 5 20 IIBD O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 732299707 LCZJDOSNRMICDA-INIZCTEOSA-N 438.292 4.489 5 20 IIBD C[C@H](Sc1ncccc1C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCC1 734899155 NEXLEORTNZIDKR-ZDUSSCGKSA-N 449.916 4.103 5 20 IIBD O=C(OCc1ccc(OCc2cccnc2)cc1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 735353737 BLOXOVCMIOMERD-UHFFFAOYSA-N 431.404 4.180 5 20 IIBD Cc1cc(=O)oc2cc(OCCOC(=O)c3ccc(Br)c([N+](=O)[O-])c3)ccc12 740944461 CWLOWDUGFSJNJJ-UHFFFAOYSA-N 448.225 4.008 5 20 IIBD Cc1cc(=O)oc2cc(OCCOC(=O)c3cc([N+](=O)[O-])ccc3Br)ccc12 740957515 DXMLOCUTKSUDBZ-UHFFFAOYSA-N 448.225 4.008 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1ccncc1F 741378313 JSDQBUIEAWUBAH-SFHVURJKSA-N 429.791 4.319 5 20 IIBD CCc1nc(C)c([C@@H](C)N(C)S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])s1 742305701 ZBBBMNBUUXWVDU-SNVBAGLBSA-N 448.364 4.066 5 20 IIBD O=C(COCC1CC1)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 744282715 FEDIGLSUXJMMFY-UHFFFAOYSA-N 439.251 4.486 5 20 IIBD O=C(Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cnsn1 744284615 UBTHWKXHEDQCEM-UHFFFAOYSA-N 439.236 4.225 5 20 IIBD CC1CCN(c2ccc(C(=O)OCC(=O)c3cnn(-c4ccccc4)c3)cc2[N+](=O)[O-])CC1 744462027 DEMXUGGTBHCYLT-UHFFFAOYSA-N 448.479 4.057 5 20 IIBD O=C(COC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 745240575 JCTWIZSHAMGZMJ-VXGBXAGGSA-N 444.312 4.177 5 20 IIBD O=C(O[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 745567498 ADSRVOOJVBVUQT-HNNXBMFYSA-N 428.750 4.229 5 20 IIBD O=C(Cn1ccc2ccc(Cl)cc21)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 749358674 NOUINEFHFOOGCQ-UHFFFAOYSA-N 428.876 4.058 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 749506481 XIHMIIZBJBCNBQ-AUJRIZCKSA-N 435.883 4.302 5 20 IIBD Cc1c(Br)cc(C(=O)OCC(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] 753434103 SNESTTSKWNGVEA-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD C[C@H](OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccc(F)c(C(F)(F)F)c1 754370809 GWTQNMQSGUHZTR-VIFPVBQESA-N 435.351 4.074 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(CCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)cc1 756141940 QUWTZTZPBRCEGC-UHFFFAOYSA-N 426.473 4.481 5 20 IIBD CCOc1cccc(CNC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1OC(F)F 756991621 UTDHTEHZCGDRCH-UHFFFAOYSA-N 445.216 4.287 5 20 IIBD COc1ccc(C[C@H](C)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1 759989487 FVEHCIOQFVQUDG-NSHDSACASA-N 425.254 4.114 5 20 IIBD Cc1ccccc1CN1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Br)CC1 760789593 OOSUFVPDRVUERX-UHFFFAOYSA-N 432.318 4.014 5 20 IIBD COCCO[C@H]1CCCN([C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C1 760967213 DEQLGVUGPKXHPD-RXVVDRJESA-N 447.919 4.055 5 20 IIBD O=C1COc2ccc(-c3nc(-c4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)no3)cc2N1 761857502 JOKGIQATEZFBDS-UHFFFAOYSA-N 430.376 4.435 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN(C)Cc2ccn(-c3ccccc3)n2)c1=S 764899333 HJGKRKGGKGIRBC-UHFFFAOYSA-N 449.540 4.284 5 20 IIBD C[C@H](OC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)Nc1ccccc1Cl 770157212 PWXGOWXZGHRNHN-VIFPVBQESA-N 427.638 4.195 5 20 IIBD CCO[C@@H]1C[C@@H](OC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C12CCOCC2 770995625 OMRIKEFWTHJJHL-FGZHOGPDSA-N 440.496 4.338 5 20 IIBD Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2sc(Br)cc2[N+](=O)[O-])c1C 773604968 LFILSCLDCOURJX-SNVBAGLBSA-N 427.276 4.220 5 20 IIBD COc1cc(F)c([C@H](C)N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OC 775416113 FFDCEXFORLUKSD-QWRGUYRKSA-N 425.844 4.082 5 20 IIBD O=C(N[C@H]1CCCOCC1)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 776381892 MRSXAMUGEKMZBB-NRFANRHFSA-N 437.540 4.353 5 20 IIBD CSc1cccc(C(=O)OCC(=O)Nc2ccc(Br)cc2F)c1[N+](=O)[O-] 777074204 QTGAAADOZLYWQP-UHFFFAOYSA-N 443.250 4.014 5 20 IIBD C[C@H](c1ccc(Cl)cc1)N(C)C(=O)COC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 778167060 YXTHXCDBNGYHSQ-GFCCVEGCSA-N 426.803 4.103 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)c1cc([N+](=O)[O-])c2nsnc2c1 778244461 QALFAQPFWJUIQE-ZDUSSCGKSA-N 439.497 4.175 5 20 IIBD O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 778699713 ZIWRRRVHWVKIKK-UHFFFAOYSA-N 447.211 4.050 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)Nc1cccc(Cl)c1Cl 778886221 BZLBCMIIZDEFNH-UHFFFAOYSA-N 435.166 4.299 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 779383359 CHDIWJBNCOFJGS-UYAOXDASSA-N 435.883 4.228 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 779569074 CDGJTRTYNXIHFY-KCQSEKJDSA-N 432.480 4.011 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 780047856 SRMXCYMDBNVGOF-HXUWFJFHSA-N 440.887 4.264 5 20 IIBD CCc1ccccc1NC(=O)COC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781256515 LCBOOLGKYGRISJ-UHFFFAOYSA-N 436.414 4.317 5 20 IIBD Cc1ccc(-c2nnc([C@@H](C)OC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)cc1 781736143 WSHHIJIXULBDHK-CYBMUJFWSA-N 426.385 4.098 5 20 IIBD O=[N+]([O-])c1ccn(C2CCN(Cn3ncc4cccc(OCc5ccccc5)c43)CC2)n1 782858580 BENGXCHRIHBVPA-UHFFFAOYSA-N 432.484 4.015 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCCCC[C@H]1C[C@@H](O)c1ccccc1 785223947 WHYXTDAMZVFVBO-OXJNMPFZSA-N 445.903 4.082 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(Br)c([N+](=O)[O-])c1 785381214 LCZIMSLXGZXRFR-UHFFFAOYSA-N 448.151 4.214 5 20 IIBD CCc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c(O)c1 787868031 WLSXNYJJXMARSY-SNVBAGLBSA-N 426.347 4.066 5 20 IIBD Nn1c(SCc2ccc(Br)c([N+](=O)[O-])c2)nnc1-c1ccccc1Cl 788098168 JYDLXAZSGFGPRX-UHFFFAOYSA-N 440.710 4.275 5 20 IIBD COc1ccc([C@H](OC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)[C@@H](C)n2cccn2)cc1 791794385 CRRVAAFXMTZRBI-QVKFZJNVSA-N 425.441 4.276 5 20 IIBD COC(=O)c1nc([C@H]2CCCN2Cn2c(=S)oc3ccc([N+](=O)[O-])cc32)sc1C 794663743 OCGNDFDAGCOXEZ-GFCCVEGCSA-N 434.499 4.218 5 20 IIBD CCc1nc2c(s1)[C@@H](N(C)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)CCC2 795882419 ABEIJNXPWSAPNX-LBPRGKRZSA-N 433.914 4.104 5 20 IIBD COc1c(C(=O)OCc2csc(N(C(C)=O)c3ccc(F)cc3)n2)cccc1[N+](=O)[O-] 796307986 ABEYHBUWWJQXRB-UHFFFAOYSA-N 445.428 4.241 5 20 IIBD C[C@@]1(CNC(=O)c2sc(Br)cc2[N+](=O)[O-])CCN(Cc2ccccc2)C1 798529927 ZUCZJXHOUTWHPK-SFHVURJKSA-N 438.347 4.061 5 20 IIBD O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCOC[C@@H]1c1nc2ccccc2s1 800234590 CDFVSXWSAKNIHU-OAHLLOKOSA-N 448.298 4.181 5 20 IIBD O=C(OCc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 803210023 KOXSZXIBQHMOCN-ZDUSSCGKSA-N 438.814 4.122 5 20 IIBD C[C@@]1(C2CC2)NC(=O)N(c2ccc(CNc3nc4ccc([N+](=O)[O-])cc4s3)cc2)C1=O 804703315 YLKCLXXTUYHMSX-NRFANRHFSA-N 437.481 4.042 5 20 IIBD Cc1cnn([C@@H]2CCN([C@@H](C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc3)C2)c1 810119527 CBJPFFQJFUFMRB-WIYYLYMNSA-N 439.903 4.380 5 20 IIBD CCOC(=O)c1cc(C(=O)N[C@@H](C)c2ccc(C(F)(F)F)nc2Cl)cc([N+](=O)[O-])c1 816763445 UNZRYKUIQOPWSH-VIFPVBQESA-N 445.781 4.330 5 20 IIBD COc1cc(C(=O)NC[C@H](O)c2ccco2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 915076053 LZWGTHQIMGTWPF-HNNXBMFYSA-N 432.816 4.106 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(C)[C@H](C)c1ccc(Cl)c(Cl)c1 915662858 FAXLPUFJQOEALX-LLVKDONJSA-N 441.267 4.321 5 20 IIBD CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc1 916072098 XNYANQDTWZHKKW-AWEZNQCLSA-N 443.460 4.176 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(Br)cc1Cl 917324902 PKVIACYNLNGPPJ-UHFFFAOYSA-N 428.622 4.234 5 20 IIBD CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)Cc1ccc(OCc2ccccc2)c(OC)c1 917387598 DFGJSSMITMBSDU-UHFFFAOYSA-N 435.480 4.178 5 20 IIBD O=C(COc1cccc(N2CCCC2=O)c1)Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-] 920330437 ZLPYDQWYMSPMDJ-UHFFFAOYSA-N 432.432 4.373 5 20 IIBD Cc1ccc(CN2CCCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])CC2)cc1 1116213991 BGWVVPGIMXCVEC-UHFFFAOYSA-N 432.318 4.014 5 20 IIBD CCOc1ccc(CN(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1OC 1252776430 UGUGBDUWYGSKDX-UHFFFAOYSA-N 441.253 4.176 5 20 IIBD COc1ccc(Br)c(-c2nnc(-c3cc([N+](=O)[O-])c4nsnc4c3)o2)c1 1322401458 UKLCJTPUZSGJCT-UHFFFAOYSA-N 434.231 4.088 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)c3ccc[nH]3)CCC2)cc1 1786602184 FFLMPYCIBMOHPT-UHFFFAOYSA-N 432.480 4.303 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)Nc1ccc(C2(NC(=O)C34CC(C3)C4)CCC2)cc1 1790807637 KKYOQKFBPPFBGX-UHFFFAOYSA-N 435.480 4.157 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1ccc(C2(NC(=O)[C@H]3CC3(F)F)CCC2)cc1 1791184536 YEBRMSIIEDMZIO-QGZVFWFLSA-N 447.413 4.066 5 20 IIBD Cc1ccsc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(Cl)cc1[N+](=O)[O-] 1793074471 RCHSXYBPKHPMLU-BJWYYQGGSA-N 447.944 4.113 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@@H]1CC=CCC1 1801206236 WPCDGWOXXNHGIU-NRSFXHEJSA-N 439.537 4.418 5 20 IIBD CC(C)CC(=O)N1CCCC2(CCN(C(=O)Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)C1 1809045132 ZJENNXKRRGFUSD-UHFFFAOYSA-N 435.952 4.068 5 20 IIBD CC(C)(C)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])[nH]n1 1816761369 IKCYIRHAEYHCMK-TZZQJPOUSA-N 439.516 4.460 5 20 IIBD O=C(Cc1ccc(Cl)cc1[N+](=O)[O-])N1CC2(CCCN2C(=O)/C=C/C2CCCCC2)C1 1845194546 DYESWKQRJKHOHJ-JXMROGBWSA-N 445.947 4.131 5 20 IIBD C[C@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 15092340 PFHQHENMWDFEFM-AWEZNQCLSA-N 437.525 4.244 5 20 IIBD C[C@H](Sc1nc(-c2ccc(Br)cc2)n[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 21691766 XNQILSBGIBXSQS-JTQLQIEISA-N 448.302 4.262 5 20 IIBD COCCn1c(C)cc(C(=O)CSc2nc3cc4ccccc4cc3c(=O)n2C)c1C 22253438 XMFJXAUQYSPAAE-UHFFFAOYSA-N 435.549 4.126 5 20 IIBD O=C(CCSc1nnc(COc2ccc(Cl)cc2)o1)Nc1ccc([N+](=O)[O-])cc1 26370037 FCSRAKULBDMQDZ-UHFFFAOYSA-N 434.861 4.331 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Cl)Nc1c(F)cc(F)cc1Br 29274548 FXIHPXSAPGUYJO-UHFFFAOYSA-N 449.591 4.084 5 20 IIBD O=C(CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)Nc1ccc(F)c([N+](=O)[O-])c1 36796306 PGMOWLCMHZTVQH-UHFFFAOYSA-N 449.773 4.180 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](NCc1cccc2c1OCO2)c1ccccc1 60511368 ZSZGJFXNFDZDNN-HXUWFJFHSA-N 439.855 4.447 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(-c2cn3cccnc3n2)cc1 64860157 RLBFTAMPKFKXCR-ZDUSSCGKSA-N 437.843 4.364 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)cc([N+](=O)[O-])c1 72024819 VYCPLTRXBSVANR-UHFFFAOYSA-N 447.419 4.349 5 20 IIBD C[C@@H](OC(=O)/C=C\c1cccs1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 206699942 ZSLPDYMYPCXIHV-QDZRJHCZSA-N 429.479 4.363 5 20 IIBD O=C(NC[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1)Nc1cccc(F)c1 301949706 FZGZJEIADLQURU-ZDUSSCGKSA-N 438.406 4.373 5 20 IIBD CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 303418100 BYEBDQVKDPUONO-UHFFFAOYSA-N 439.921 4.148 5 20 IIBD Cc1c(C(=O)Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)nnn1-c1cccc([N+](=O)[O-])c1 409984591 DLYXPVIYYDDHPD-MRXNPFEDSA-N 446.467 4.031 5 20 IIBD COc1cc(C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)c([N+](=O)[O-])cc1OC(F)F 410059195 XSQQXSLCSSKCRM-UHFFFAOYSA-N 446.410 4.101 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N(Cc1ccc(F)cc1)C1CCOCC1 427727002 JMDIQPRLGCTJMD-UHFFFAOYSA-N 437.265 4.318 5 20 IIBD O=C1c2ccccc2C(=O)N1c1cccc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 428717955 LUVRKHCDNWIAGV-UHFFFAOYSA-N 441.443 4.200 5 20 IIBD Cc1noc(C[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2)n1 429517898 SHFDVMZEYKKOCN-OAHLLOKOSA-N 432.889 4.132 5 20 IIBD C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)CCN1Cc1ccccc1 430633959 CTPSZRDWGJTMKL-GDBMZVCRSA-N 432.318 4.140 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCCC[C@@H]1c1ccc(F)cc1F 432854300 XHYAOYVPGMQBDE-GOSISDBHSA-N 445.422 4.315 5 20 IIBD O=C(NCC(=O)N1CCCC[C@H]1c1ccc(F)cc1F)c1c(Cl)cccc1[N+](=O)[O-] 433338714 IGAATGPWCVOESZ-INIZCTEOSA-N 437.830 4.010 5 20 IIBD CCOc1cc(CS(=O)(=O)Cc2coc(-c3cccc(Cl)c3)n2)ccc1[N+](=O)[O-] 434635763 GZLBORROZJOXJM-UHFFFAOYSA-N 436.873 4.417 5 20 IIBD C[C@H](c1ccccn1)N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435504748 KHHOONWCYGQFFI-CYBMUJFWSA-N 442.522 4.361 5 20 IIBD Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 437467565 NHZNCXODXRSCBS-QPPBQGQZSA-N 437.540 4.404 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(CCc2ccccn2)Cc2ccncc2)cc1SC 439158113 GXATVKMRVHNDND-UHFFFAOYSA-N 438.509 4.000 5 20 IIBD COc1ccc(NC(=O)C(=O)Nc2ccc(OCC3CCCCC3)cc2)cc1[N+](=O)[O-] 439189350 SUBCVQUWUIDNLK-UHFFFAOYSA-N 427.457 4.140 5 20 IIBD Cc1ccc(OCc2ccccc2)c(NC(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1 443142945 HPKHLHWOUIBNSH-UHFFFAOYSA-N 433.464 4.079 5 20 IIBD CCN(CC)Cc1ccccc1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br 445765123 KYLWYUYZXHDOJP-UHFFFAOYSA-N 434.334 4.058 5 20 IIBD O=C(Cc1noc(-c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1)NCc1cccc(Cl)c1 445832528 HVALRIXBTUCDDO-UHFFFAOYSA-N 440.765 4.176 5 20 IIBD O=C(CCCNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])N1CCc2ccccc21 447687915 FKYKHSPLDWFZEW-UHFFFAOYSA-N 444.360 4.425 5 20 IIBD COc1cc(CNc2ccc(C(N)=O)c(F)c2)c([N+](=O)[O-])cc1OCc1ccccc1 461199873 RKNWAVJAIIKUJN-UHFFFAOYSA-N 425.416 4.033 5 20 IIBD Cc1cccc(-c2nnc(N(Cc3ccccc3[N+](=O)[O-])C3CC3)n2C[C@H]2CCCCO2)n1 461723987 ZXNMYANAPHXTBN-HXUWFJFHSA-N 448.527 4.295 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(NC(=O)[C@H](C)n2cccn2)c1 462423244 TUVLMOSMFQLSDJ-FUHWJXTLSA-N 435.484 4.198 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H](C)C2(CCCCC2)C1 463171970 PBVMAAFWDBOFAO-YLJYHZDGSA-N 447.601 4.265 5 20 IIBD O=C(NCCCCOc1ccc(F)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465621070 DSERVADSOJLXAM-UHFFFAOYSA-N 431.464 4.146 5 20 IIBD Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)c1ccc([N+](=O)[O-])cc1Br 466796112 OBIMJGUNFYLHGQ-UHFFFAOYSA-N 435.665 4.757 5 20 IIBD COc1ccc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)c(I)c1 468116827 JBMBWZIEOZQZEB-UHFFFAOYSA-N 440.237 4.386 5 20 IIBD C[C@@H](CCc1ccccc1[N+](=O)[O-])NCCC(=O)N(C)Cc1ccccc1Br 468421436 UIQXQGCNULVZMD-INIZCTEOSA-N 448.361 4.317 5 20 IIBD Cc1c(C(=O)N2CCSc3ccc(C(F)(F)F)cc32)nnn1-c1cccc([N+](=O)[O-])c1 469055866 TYZHAGQKPXWAFF-UHFFFAOYSA-N 449.414 4.255 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1nc(/C=C\c2ccccc2)cs1 469535457 MJHLMALKABJILC-BLIJAFNYSA-N 426.502 4.093 5 20 IIBD O=C(NCc1ccccc1)c1cccc(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)c1 477101700 QTRNCFGQERTJOZ-UHFFFAOYSA-N 442.431 4.031 5 20 IIBD COc1cc(C(=O)Nc2ccnn2Cc2cccc(Br)c2)cc([N+](=O)[O-])c1C 480035441 KGGUGKCPJCVTFE-UHFFFAOYSA-N 445.273 4.171 5 20 IIBD CCN(C(=O)[C@@H](C)Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC)c1ccccc1 481356184 APENFOXWCDPOHA-OAHLLOKOSA-N 425.514 4.407 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1csc(-c2ccccc2)n1 482533693 LWLZFCUCGWWBPK-UHFFFAOYSA-N 432.299 4.340 5 20 IIBD C[C@@H](NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)c1nc[nH]n1 483122995 ZJUISUGULFCNIA-QQFZQELXSA-N 434.481 4.131 5 20 IIBD O=[N+]([O-])c1cnc(NCCCOC2CCN(Cc3ccccc3)CC2)c(Br)c1 485158451 HUVADWWKEOPEFN-UHFFFAOYSA-N 449.349 4.236 5 20 IIBD Cc1cc(C)c(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)cc1Br 486608468 VHOXHQGYGQEPKR-UHFFFAOYSA-N 434.290 4.063 5 20 IIBD COC(=O)c1cc(NC(=O)N(Cc2ccccc2)CC2CCOCC2)c(C)c([N+](=O)[O-])c1 486883944 ROVFMVCBXWMQTC-UHFFFAOYSA-N 441.484 4.151 5 20 IIBD O=C1c2ccccc2C(=O)N1C1CCC(NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 487158659 MSKGTKAVCAMKLN-UHFFFAOYSA-N 447.413 4.311 5 20 IIBD CC1(C)CN(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H]1c1cccnc1 488190730 SOFDKWLRNIRRKD-KRWDZBQOSA-N 437.422 4.213 5 20 IIBD CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 488344095 KWUWZGNGQAHXIC-UHFFFAOYSA-N 433.346 4.010 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)NCc2cccc(NC(=O)c3ccncc3)c2)cc1[N+](=O)[O-] 489268075 IWJFPXOFJZHIKB-MRXNPFEDSA-N 433.468 4.111 5 20 IIBD Cc1cccc(C(=O)Nc2nc3ccc(I)cc3s2)c1[N+](=O)[O-] 491033910 ISJAHFIXZKXRRN-UHFFFAOYSA-N 439.234 4.370 5 20 IIBD CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] 491052333 QOLBLCSRBSXVCG-UHFFFAOYSA-N 444.557 4.099 5 20 IIBD Cc1ccc(S(=O)(=O)N(Cc2nc(CC(C)C)no2)c2cccc([N+](=O)[O-])c2)c(C)c1 498929155 MJOQIGKUYHZSLQ-UHFFFAOYSA-N 444.513 4.189 5 20 IIBD O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)[C@@H](c1ccccc1)C1CC1 499131700 RONIDPNQCRPZLX-SFHVURJKSA-N 443.506 4.016 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(F)ccc1N1CCOCC1 503152514 OFABSJPYPSMPBK-UHFFFAOYSA-N 433.505 4.003 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCCN([C@H](C)c2ccccc2F)C1=O 505496939 VESPFQMSPACORF-APWZRJJASA-N 427.476 4.141 5 20 IIBD Cn1cc(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 506085890 KXZFDIOKEOLDJM-UHFFFAOYSA-N 429.480 4.496 5 20 IIBD O=C(c1ccc(NCCCc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1)N1CCOCC1 506800480 TZEUDRNGCLYZCI-UHFFFAOYSA-N 437.418 4.131 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(CC(F)(F)F)c1ccccn1 508606090 XBPJYQSPKDDKCP-UHFFFAOYSA-N 436.312 4.406 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(Sc3nncs3)cc2)c([N+](=O)[O-])cc1OC 510274210 QDRFBGLTPVWBHI-UHFFFAOYSA-N 432.483 4.257 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 510656418 LVVSQPXWSLZNKG-UHFFFAOYSA-N 426.864 4.445 5 20 IIBD CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 512295394 SRKJQCVYHDMJQM-DEOSSOPVSA-N 431.492 4.021 5 20 IIBD COc1cccc([C@@H](CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)N(C)C)c1 512474437 NGVFFCAGVFXMDT-XMMPIXPASA-N 448.523 4.248 5 20 IIBD CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl 515635989 VJGNANNUOSXHRT-UHFFFAOYSA-N 439.921 4.276 5 20 IIBD COc1ccc(NC(=O)CNc2ccc(C(=O)NC3CCCCC3)cc2C)c([N+](=O)[O-])c1 515660680 QULIKCPJUQRXIU-UHFFFAOYSA-N 440.500 4.025 5 20 IIBD O=C(NC1CC(C(F)(F)F)C1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 515902105 AJZCPUOJHRDEFM-UHFFFAOYSA-N 439.356 4.287 5 20 IIBD O=c1oc2cc([N+](=O)[O-])ccc2n1CCCc1nc(-c2cccc(C(F)(F)F)c2)no1 521024249 AUIPBCHVQYIGSM-UHFFFAOYSA-N 434.330 4.204 5 20 IIBD COc1cc(C(=O)NC[C@@H]2CCC[C@@H](O)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 521921188 SITSZKNIJBIOTE-CZUORRHYSA-N 434.876 4.330 5 20 IIBD Cc1c(C(=O)Nc2cccc(CSc3ccccn3)c2)nnn1-c1cccc([N+](=O)[O-])c1 522983650 OUKAFQHFWYYZEF-UHFFFAOYSA-N 446.492 4.424 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cccc(OCC(C)C)c2)ccc1[N+](=O)[O-] 523272915 MCKSOHKQAZIYKI-OAQYLSRUSA-N 425.485 4.181 5 20 IIBD Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 523730266 KMLQRTLANSBMJR-GJZGRUSLSA-N 445.541 4.131 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCCCNc3ccccn3)cc2[N+](=O)[O-])n1 524467092 VMWFXRKAFHUBIZ-UHFFFAOYSA-N 429.527 4.138 5 20 IIBD O=C(COc1ccc(Br)cc1[N+](=O)[O-])Nc1ccc2c(c1)OC1(CCCC1)O2 525113864 GVMINRGDNLPWTB-UHFFFAOYSA-N 449.257 4.416 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1C[C@H]2CCCN2c2ccccc21 525186033 XZEPYBKCCUXPBO-GFCCVEGCSA-N 428.297 4.079 5 20 IIBD CO[C@H](C)c1nc(CN2CCCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)cs1 531470373 MBWKKDRSAOEVSF-CYBMUJFWSA-N 444.479 4.490 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)c1cc(Br)sc1Br 533992430 NSIQGQAEVCFZKM-UHFFFAOYSA-N 434.109 4.154 5 20 IIBD CN1CC[C@H](CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)[C@H]1c1ccc(Cl)c(F)c1 534970842 JKSGKYTYCCVPCM-IIBYNOLFSA-N 446.910 4.148 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 536190642 FJYXLQUBJHBLMJ-KRWDZBQOSA-N 446.429 4.028 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 536227154 ONCBXSPQCWYVPQ-UHFFFAOYSA-N 436.443 4.028 5 20 IIBD O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)C1CCN(C(=O)c2cccc3ccccc23)CC1 536253960 XDCJPDFDZKQBLW-UHFFFAOYSA-N 443.463 4.115 5 20 IIBD O=C(N[C@@H](CO)c1ccc(C(F)(F)F)cc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 536623102 AUGXHBLUWNUGEK-HNNXBMFYSA-N 437.399 4.201 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NCC(C)(C)CCCO)c([N+](=O)[O-])c1 536657300 XMVZHZJTFBOTAL-UHFFFAOYSA-N 435.546 4.021 5 20 IIBD Cc1cc(NC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])n([C@H]2CCN(Cc3ccccc3)C2)n1 539255203 AOCGCZCUOLRQKB-QUCCMNQESA-N 448.527 4.429 5 20 IIBD O=C1[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCCN1CC(F)(F)F 540622790 WUEDKPXNSZBDNF-HNNXBMFYSA-N 431.798 4.151 5 20 IIBD Cc1noc(CSc2ccc(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1 540893317 WLMSBOOYYIFAGH-UHFFFAOYSA-N 432.889 4.204 5 20 IIBD C[C@@H](C[S@](C)=O)NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 541502403 SIGGXFLGJKZBFQ-IFHZELBCSA-N 446.472 4.262 5 20 IIBD COc1ccc(NC(=O)C2(c3ccc(Br)cc3)CCOCC2)cc1[N+](=O)[O-] 543858916 UNMVGPRDWGRUDW-UHFFFAOYSA-N 435.274 4.053 5 20 IIBD Cc1c(Cc2nc(Cc3cc(Br)c4c(c3)OCCO4)no2)cccc1[N+](=O)[O-] 544402029 FGPFEZFZXYJXOO-UHFFFAOYSA-N 446.257 4.002 5 20 IIBD O=[N+]([O-])c1cccc(-n2cc(-c3nc(-c4ccc(Oc5cccnc5)cc4)no3)nn2)c1 544633332 QVXUCMPBPLARHC-UHFFFAOYSA-N 427.380 4.080 5 20 IIBD Cc1c(-c2nc(Cc3cccc(C(F)(F)F)c3)no2)nnn1-c1cccc([N+](=O)[O-])c1 544930835 GGYKLEBSHYWLIW-UHFFFAOYSA-N 430.346 4.144 5 20 IIBD COc1cccc(-n2c(C)nnc2SCc2nc(-c3ccc(C)c([N+](=O)[O-])c3)no2)c1 544956102 PZAAWEDNCRGBQJ-UHFFFAOYSA-N 438.469 4.143 5 20 IIBD C[C@@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccc(Cl)c2ccccc12 545204977 KFZQBGUOPKVHRO-OAHLLOKOSA-N 439.903 4.389 5 20 IIBD CC(C)(C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1F 545828742 DOPVFXFMMXDYCM-UHFFFAOYSA-N 427.476 4.205 5 20 IIBD Cc1ccc(C)c(-n2c(C)nnc2SCc2nc(Cc3ccccc3[N+](=O)[O-])no2)c1 546236606 GOFBDUFTIWUMHH-UHFFFAOYSA-N 436.497 4.367 5 20 IIBD COc1ccc(Cc2nc(-c3cc(Cl)ccc3O[C@H]3CCOC3)no2)cc1[N+](=O)[O-] 547199335 DSUHBIDZHQCZJM-AWEZNQCLSA-N 431.832 4.065 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1 549036654 XGPVPFAVVFFNHZ-FQEVSTJZSA-N 443.887 4.235 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@H](OCC4CC4)C3)n2Cc2cccs2)c1 549947834 CIMRFMMSRBHKGQ-IBGZPJMESA-N 439.541 4.359 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@H]2c3cccc(Br)c3CC2(C)C)cccc1[N+](=O)[O-] 556421601 GVHJHOAWEUWDLI-KRWDZBQOSA-N 446.301 4.044 5 20 IIBD CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br 557762614 XUKHAIJVNZMFHH-ZOCIIQOWSA-N 433.302 4.438 5 20 IIBD COc1cc(Cc2noc(C(C)(C)COCc3ccccc3)n2)c([N+](=O)[O-])c(OC)c1 558385307 WHMQHBXKMPIVCC-UHFFFAOYSA-N 427.457 4.080 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(Oc2cc(F)c(Br)cc2Cl)s1 558785605 TVYVWESVGCPDLS-UHFFFAOYSA-N 430.660 4.407 5 20 IIBD CC(C)[C@@H]1N(C(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC12CCC2 570621054 QKTWNNNSHIYAFV-FQEVSTJZSA-N 443.525 4.046 5 20 IIBD COc1cc2c(cc1OC)CN(C(=O)CCCNc1c(C)cc([N+](=O)[O-])cc1Cl)CC2 572174875 MEAVUTZQHMKWED-UHFFFAOYSA-N 447.919 4.351 5 20 IIBD Cc1cc(N[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c(Br)cc1[N+](=O)[O-] 573854706 XQVQBZAMGHBCRT-LBPRGKRZSA-N 442.335 4.089 5 20 IIBD COc1cc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c(C)c1C 573908108 BYTCQSYCXJPAFT-UHFFFAOYSA-N 429.292 4.092 5 20 IIBD CC(C)(NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)c1ccccc1[N+](=O)[O-] 576952222 WRUBYBKFILVJLM-UHFFFAOYSA-N 425.872 4.123 5 20 IIBD O=C(CN1CCC(c2noc3cc(F)ccc23)CC1)Nc1ccc([N+](=O)[O-])cc1Cl 584260798 VLCUZZZSTRXARD-UHFFFAOYSA-N 432.839 4.347 5 20 IIBD CC(C)COc1ccccc1[C@@H](CC(C)C)Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 600848968 LDSQFFPASDHPDE-GOSISDBHSA-N 435.546 4.476 5 20 IIBD CCN(CC)c1ccc(CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cn1 603903705 WTLUXWFZLITMGP-UHFFFAOYSA-N 425.533 4.002 5 20 IIBD COc1cc(C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)c([N+](=O)[O-])cc1OC 603921720 JBJSQITYRMBFJO-UHFFFAOYSA-N 445.859 4.426 5 20 IIBD C[C@@H](CC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)CC(C)(C)C 603945016 LSBLQTIJCKBTMM-LBPRGKRZSA-N 425.532 4.285 5 20 IIBD CC(C)(C)c1cc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)n(Cc2ccccc2)n1 608934193 RRRTYLDRWPEBJH-UHFFFAOYSA-N 436.468 4.161 5 20 IIBD O=C(N[C@H](CN1CCCCC1)c1ccccc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 609017970 LULJIUZAKFJZQE-JOCHJYFZSA-N 436.556 4.155 5 20 IIBD O=C(N[C@@H](Cc1ccccc1)c1cccs1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 609751487 INNUXXZPVYBNNJ-IBGZPJMESA-N 436.537 4.472 5 20 IIBD O=C(Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1)C1C[C@@H]2CCC[C@H](C1)C2=O 609817184 PFGGRKTXXHSGNK-XYPWUTKMSA-N 434.452 4.374 5 20 IIBD COC(=O)c1ccccc1N(C)C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 609854560 NZLMPMLWEXLVSS-UHFFFAOYSA-N 449.250 4.151 5 20 IIBD Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 609860257 PIAAVPWEIYPSGI-MRXNPFEDSA-N 427.507 4.272 5 20 IIBD O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1ccn(-c2cccc(C(F)(F)F)c2)n1 609970448 GRRDSRDSOBDCAS-UHFFFAOYSA-N 442.357 4.237 5 20 IIBD COc1cc(C(=O)N2CCC[C@H](CCO)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 610927775 WWZBLALHGRJADY-CQSZACIVSA-N 434.876 4.284 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 611200114 CGOFEXRYQAYGKB-HNNXBMFYSA-N 441.509 4.494 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)[C@H]1CCc2nccn2C1 615764843 QIKMHNNKJJNZPP-AWEZNQCLSA-N 444.850 4.255 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 728165416 JRGNZMWJBXSRMY-UHFFFAOYSA-N 441.831 4.399 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@H](C(=O)N2C[C@H](C)C[C@@H](C)C2)C(C)C)cc1SC 728649200 GDISSHVGCFOZHZ-LPMFXHHGSA-N 438.546 4.011 5 20 IIBD CC(C)OC(=O)CNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 729383838 DUNXLRCNBWOOLA-WJDWOHSUSA-N 439.493 4.203 5 20 IIBD CC(=O)c1csc(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)c1 730211313 PZRHBZAKYFUZAM-KRWDZBQOSA-N 430.482 4.101 5 20 IIBD CCNC(=O)c1ccc(OC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cc1 736021421 IXWZKHYDWOFZSV-UHFFFAOYSA-N 449.250 4.056 5 20 IIBD COc1cccc(Nc2ccccc2C(=O)OCC(=O)Nc2c(C)cccc2[N+](=O)[O-])c1 736906226 CALXHHDZJGFANH-UHFFFAOYSA-N 435.436 4.451 5 20 IIBD CN(Cc1ccccc1NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C 737001809 QOIZOEOOVSJDAW-UHFFFAOYSA-N 444.488 4.162 5 20 IIBD O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1CCSC[C@@H]1c1ccc(Cl)cc1 738255441 OYOKZOHILOMUGY-HXUWFJFHSA-N 442.928 4.220 5 20 IIBD COc1cc(N2CCC(OC(=O)c3sc(CC(C)C)nc3C)CC2)ccc1[N+](=O)[O-] 739369679 JUTORSKTNRFPQZ-UHFFFAOYSA-N 433.530 4.393 5 20 IIBD COc1ccc(COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c(Br)c1OC 740390701 WDEDROJPLLWKGP-UHFFFAOYSA-N 438.274 4.396 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1nnc(-c2cccc(F)c2)o1 744636340 COJFKDPZVPJFTF-UHFFFAOYSA-N 429.407 4.087 5 20 IIBD CS(=O)(=O)c1ccc(Cl)c(C(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)c1 745345050 YMGAYNWRHMYGSZ-UHFFFAOYSA-N 443.308 4.362 5 20 IIBD O=C(COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cnc(N2CCCCC2)s1 745567716 QXIIQPIVPQQMQL-UHFFFAOYSA-N 443.403 4.100 5 20 IIBD C[C@@H](OC(=O)CN(C)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1-c1ccccc1 745614394 ABLFFOCHZOLHMC-QGZVFWFLSA-N 433.464 4.268 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C(=O)N1CCCCC1)c1ccccc1 746154297 QFNAIGAMYLJVLP-UZLBHIALSA-N 428.510 4.372 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 746954072 GGSXHCPAMOTGHC-QGZVFWFLSA-N 441.242 4.389 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1C[C@@H]1c1ccc(Br)cc1 748910117 JLUQJXJSCDVYJB-CVEARBPZSA-N 444.241 4.254 5 20 IIBD CC(C)(C)c1csc(C2CCN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)CC2)n1 750063020 SODSJXNLIAASCO-UHFFFAOYSA-N 428.558 4.118 5 20 IIBD COCCOCc1cccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)c1 750841585 KMYKDHPFJFVMMC-UHFFFAOYSA-N 443.681 4.426 5 20 IIBD CC(C)[C@@H](OC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)Nc1ccccc1F 750966184 QVAHKAWPYOEAFZ-MRXNPFEDSA-N 439.237 4.317 5 20 IIBD O=C(Nc1ccccc1CN1CCSCC1)c1cc([N+](=O)[O-])ccc1Br 751112714 NXBZUSRXQHEBJZ-UHFFFAOYSA-N 436.331 4.158 5 20 IIBD CCn1c([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)nc2ccccc21 751231603 TWYAZVHYMLHQMO-SFHVURJKSA-N 437.456 4.467 5 20 IIBD COc1ccc([C@@H]2CCCCCN2C(=O)COC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])cc1 752556862 DNCVPYARUNGMBY-FQEVSTJZSA-N 444.459 4.352 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(Cl)c(Br)c1 753432440 ZVUHICSTVPUAHH-UHFFFAOYSA-N 428.622 4.234 5 20 IIBD CC(C)(C)OC(=O)N1CCc2c(NC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)cccc21 753785404 ZWDNFOFQFKMVKZ-UHFFFAOYSA-N 449.467 4.330 5 20 IIBD COc1ccccc1[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c12)NC(=O)OC(C)(C)C 754016238 AIZXMAVRWPMPFV-MRXNPFEDSA-N 439.472 4.225 5 20 IIBD O=C(NC1CCC(N2CCCCC2)CC1)c1cc(F)cc([N+](=O)[O-])c1Br 755015774 HRDGDJLRHIDCIP-UHFFFAOYSA-N 428.302 4.023 5 20 IIBD C[C@H](OC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 756751006 BVEBHUHBSSDDAB-AYVTZFPOSA-N 447.658 4.159 5 20 IIBD COc1ccc(NC(=O)COC(=O)C2(c3c(Cl)cccc3Cl)CC2)c([N+](=O)[O-])c1 759430866 JYSNEVCXXZPTOW-UHFFFAOYSA-N 439.251 4.124 5 20 IIBD C[C@@H]1CC(=O)CC[C@@H]1C(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 760552715 BHUATXJIBSLMIA-VOWSPCBNSA-N 444.871 4.477 5 20 IIBD CCOC(=O)c1cc(-c2nc(Cc3nc(-c4ccccc4)oc3C)no2)cc([N+](=O)[O-])c1 761507117 WZQAURHCXKPTKL-UHFFFAOYSA-N 434.408 4.376 5 20 IIBD CC[C@H](C)n1ncc(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c1C1CC1 762477564 VHGMFNGQDBRYSA-JTQLQIEISA-N 443.323 4.203 5 20 IIBD CC[C@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC[C@@H]1NC(=O)OC(C)(C)C 762625600 JQJAOVZCMSIQKG-KSSFIOAISA-N 437.512 4.163 5 20 IIBD C[C@H](OC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C(=O)OC(C)(C)C 762781339 LZLGLIGOUBUUEH-LBPRGKRZSA-N 446.422 4.103 5 20 IIBD C[C@@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F)c1ccccc1[N+](=O)[O-] 764589322 YTGPAQJEISURRJ-DYVFJYSZSA-N 434.395 4.105 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@H]2c2ccc(Cl)cc2)ccc1Br 765191994 DQRNWKIEBZHCBQ-AWEZNQCLSA-N 431.695 4.146 5 20 IIBD COC(=O)N1CCC[C@H](NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 767940230 IWFQAYRLZMGACL-AWEZNQCLSA-N 449.916 4.360 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)O[C@H](Cc2ccc(Cl)cc2F)C(C)=O)cc1OC 768419436 UARHHVMPNCHFPD-QGZVFWFLSA-N 439.823 4.152 5 20 IIBD CC(C)N(Cc1ccc(Br)c([N+](=O)[O-])c1)Cc1nc(O)c2ccccc2n1 768420237 ABZCMEBCPBVNSG-UHFFFAOYSA-N 431.290 4.417 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)cc1OS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 769672372 SEHAZLZMACIAMY-UHFFFAOYSA-N 426.422 4.157 5 20 IIBD CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2cc(Br)ncc2[N+](=O)[O-])cc1 769831528 HILNLHBRDZGJFH-LLVKDONJSA-N 436.262 4.061 5 20 IIBD O=C(OCC(=O)C1CCOCC1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 770907313 PBBFPZLHZVPEOK-UHFFFAOYSA-N 432.860 4.013 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cnn(-c3ccccc3F)c1C(F)(F)F)CC2 774220916 WTCJZBKVHNNULU-UHFFFAOYSA-N 434.349 4.450 5 20 IIBD Cc1ccc([C@@H](O)c2ccccn2)cc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 774299041 WXBYJDMBVYIIMA-XMMPIXPASA-N 446.507 4.235 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Oc1cc(Cl)cnc1Br 775511199 XIBYHKYPDYKEKP-SSDOTTSWSA-N 436.045 4.432 5 20 IIBD Cc1csc(Sc2ccc(C(=O)OC3CCC4(CC3)OCCO4)cc2[N+](=O)[O-])n1 776550387 BKSCTQSIHJJPAF-UHFFFAOYSA-N 436.511 4.353 5 20 IIBD CSc1cccc(C(=O)N2[C@H]3CCC[C@H]2CC(NC(=O)OC(C)(C)C)C3)c1[N+](=O)[O-] 776873260 AWMYRCXZBRFIIK-GJZGRUSLSA-N 435.546 4.367 5 20 IIBD O=C(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)Nc1ccccc1C(=O)Nc1ccccc1 777939359 FNFFUGOGDVSNOI-UHFFFAOYSA-N 441.447 4.349 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 778053755 CYXUGWPJCRYUGB-MRVPVSSYSA-N 449.227 4.475 5 20 IIBD Cc1cc(Br)ccc1CC(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 778902457 KSHSMKYRBSYOTR-ZDUSSCGKSA-N 435.274 4.087 5 20 IIBD C[C@@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@@H]1CNC(=O)OC(C)(C)C 780851928 KNETZTYOGFJHED-OPAMFIHVSA-N 449.551 4.447 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)CSCC(F)(F)F)c2ccccc2)c([N+](=O)[O-])c1 786466633 TWJXSAMZVBZLRE-KRWDZBQOSA-N 442.415 4.422 5 20 IIBD C[C@@H]1C[C@H](NC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)O1 788440193 LNCPAQICEVRODB-MFKMUULPSA-N 440.399 4.199 5 20 IIBD Cc1cnc(COC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)c(C)c1[N+](=O)[O-] 789437487 LKZHTZAISQBEMW-UHFFFAOYSA-N 438.337 4.307 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Oc2cccc(-c3ncn(C)n3)c2)cc1[N+](=O)[O-])c1ccccn1 789536072 KQSHLHAVZLAXRH-OAHLLOKOSA-N 444.451 4.178 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(Oc3ccncc3)c2)c(C)c1[N+](=O)[O-] 790388624 GARPSQLQRIYIKO-UHFFFAOYSA-N 444.425 4.108 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccc(Br)c([N+](=O)[O-])c1 790966369 RSEKVEZDNJMKNY-UHFFFAOYSA-N 432.589 4.239 5 20 IIBD O=C(CSCc1ccc(F)cc1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791174180 IPZSCXAPVWTQCN-UHFFFAOYSA-N 439.306 4.315 5 20 IIBD O=C([C@@H]1C[C@@H]1c1c(F)cccc1F)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791174481 LXQLCBSGOFNCSD-NWDGAFQWSA-N 437.240 4.324 5 20 IIBD C[C@@]12CCN(C(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]1C2(Cl)Cl 791187899 YVLZRBBDUFOPQL-DZGCQCFKSA-N 440.249 4.458 5 20 IIBD Cc1cccc(NC(=O)Nc2cccc(CNC(=O)c3cc([N+](=O)[O-])c(F)cc3N)c2)c1 791328183 JNTNPBHUUNYNPW-UHFFFAOYSA-N 437.431 4.199 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3ccc(SC(F)F)cc3)CC2)ccc1[N+](=O)[O-] 794044194 PWGCXWKVCNHUTB-UHFFFAOYSA-N 437.468 4.271 5 20 IIBD C[C@H](Oc1ccc2ccccc2c1)C(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 796676886 ICSLEDJKNAOIGF-KRWDZBQOSA-N 435.480 4.370 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC[C@H](Cn2cnc3ccccc32)C1 797752989 NSWVLUFRFQVKLU-AWEZNQCLSA-N 430.867 4.218 5 20 IIBD O=C(c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O)N(Cc1c(F)cccc1F)C1CC1 798177417 HGDKMAJGWCIMOB-UHFFFAOYSA-N 448.813 4.223 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCC(c2cccc(Br)c2)CC1 798795122 KKBKPGGYYRJZTK-UHFFFAOYSA-N 443.301 4.113 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 799236519 RHDMSHYHCLKCMT-UHFFFAOYSA-N 436.509 4.104 5 20 IIBD O=C(NS(=O)(=O)Cc1ccc(F)cc1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 799600170 LHZWIUQTPNQRBL-UHFFFAOYSA-N 446.481 4.145 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(O)c(Cl)c1 801161165 CAODCDIKRLUBEV-UHFFFAOYSA-N 432.601 4.119 5 20 IIBD CN(CC(=O)Nc1ccc(-c2ncco2)cc1)c1cc(Br)ccc1[N+](=O)[O-] 802957520 IESHLZALVZHNGB-UHFFFAOYSA-N 431.246 4.087 5 20 IIBD CC1CCN(c2ccc(C(=O)OCCc3nnc(-c4ccccc4)o3)cc2[N+](=O)[O-])CC1 806111152 DTTQTQXWWXMPHZ-UHFFFAOYSA-N 436.468 4.281 5 20 IIBD CC(C)(c1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1)c1ccc([N+](=O)[O-])cc1F 809432955 AMTMWRWZMQXVPL-UHFFFAOYSA-N 425.376 4.423 5 20 IIBD CCN1CCN(Cc2ccccc2CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 811474764 RNYINAMIJDAPIO-UHFFFAOYSA-N 437.371 4.329 5 20 IIBD C[C@H](NC(=O)N1CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1cccc([N+](=O)[O-])c1 811864939 QCGXCEDVBVVRJI-LPHOPBHVSA-N 446.548 4.334 5 20 IIBD Cc1cc(Cl)c(C(=O)OCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] 815406784 VNMZWJHFZPLQBO-UHFFFAOYSA-N 432.738 4.251 5 20 IIBD O=C(NC[C@@H](O)c1ccc(Cl)cc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 817061198 CXVHEUWKACWYOI-OAQYLSRUSA-N 425.872 4.324 5 20 IIBD CSc1cccc(C(=O)N2CCC3(CCN(C(=O)OC(C)(C)C)C3)CC2)c1[N+](=O)[O-] 817194970 QMFXUGJFLHDGNN-UHFFFAOYSA-N 435.546 4.180 5 20 IIBD Cc1c(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1-c1ccccc1F 844543413 JJRPIQFUCCNBGD-CYBMUJFWSA-N 437.387 4.196 5 20 IIBD CC1=C(C(=O)Nc2ccccc2)[C@H](c2cc([N+](=O)[O-])c(F)cc2F)NC(=O)N1CC1CC1 916726713 XDUUNYSHTBHHBF-FQEVSTJZSA-N 442.422 4.262 5 20 IIBD COc1ccc(COC(=O)c2cc3c(OC)ccc(Br)c3[nH]2)cc1[N+](=O)[O-] 919065383 NQGWXNHUDGUKNK-UHFFFAOYSA-N 435.230 4.213 5 20 IIBD C[C@H](OC(=O)Cc1csc(NC(=O)Cc2cccs2)n1)c1cccc([N+](=O)[O-])c1 920155970 AVIPDNUKYJHVHZ-LBPRGKRZSA-N 431.495 4.141 5 20 IIBD O=C(NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1(c2cccc(Cl)c2)CCCC1 920332077 UFKXMRLZNUOZKE-UHFFFAOYSA-N 443.308 4.219 5 20 IIBD Cc1c(C(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 921008860 MFTRMTDQXNVZDA-UHFFFAOYSA-N 440.456 4.260 5 20 IIBD NC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 927346384 ASWKULSHSFWHLL-UHFFFAOYSA-N 446.282 4.437 5 20 IIBD O=C(c1nc(C2CC2)n(-c2ccccc2)n1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 1115949269 FJECOELRCUXZFB-UHFFFAOYSA-N 445.401 4.258 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC(Nc2ccccc2)CC1 1318717022 TZNNTTZYLURIHC-UHFFFAOYSA-N 430.313 4.167 5 20 IIBD Cn1c([C@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c2ccccc2)nc2ccccc21 1318834109 PHOKWUNYRRFSPL-JOCHJYFZSA-N 427.464 4.296 5 20 IIBD COc1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1Br 1338184833 AQPZWEQILQQCCD-SECBINFHSA-N 429.654 4.425 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]3F)CCC2)cc1 1786602275 HFRYQEPXWAQHPV-PMACEKPBSA-N 425.460 4.020 5 20 IIBD Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cccnc4)cc3)CCC2)cc1[N+](=O)[O-] 1787305855 SKSYDRLCGQQQLZ-UHFFFAOYSA-N 444.491 4.289 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)[nH]n1)[C@@H]1CC=CCC1 1814792660 OIBPCMVSJMFIST-KUHUBIRLSA-N 441.463 4.119 5 20 IIBD C[C@@H]1C[C@@]1(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])n[nH]1 1823503984 XAYMXXDTDOUOPX-RVJIZJDSSA-N 437.500 4.070 5 20 IIBD C[C@]1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)CC=CCC1 1832400225 IQOHGJZMHKZNGC-JPYJTQIMSA-N 429.517 4.168 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC2(CCCN2C(=O)[C@@H]2CCC(F)(F)C2)C1 1841016059 CHVLKBNPPLUYIK-CYBMUJFWSA-N 449.479 4.062 5 20 IIBD Cc1ccc(-c2nc(CC(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)cs2)cc1 17205611 NOTNVRLNHAFZEK-AWEZNQCLSA-N 425.466 4.140 5 20 IIBD CC(C)CNc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)s1 18663684 PYMQMWKFEFVQMY-UHFFFAOYSA-N 435.453 4.264 5 20 IIBD CCOc1ccc(NC(=O)CSc2nnc(-c3cc(C)cc(C)c3)o2)c([N+](=O)[O-])c1 22236687 WGGQGVFCJCUVDJ-UHFFFAOYSA-N 428.470 4.391 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 22414681 IPXPNVNRPVRXLM-SNVBAGLBSA-N 427.240 4.403 5 20 IIBD COc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc1OC 23493414 WZBPUZKDVMTWPC-UHFFFAOYSA-N 427.501 4.121 5 20 IIBD COc1ccccc1Nc1nnc(SCCC(=O)Nc2ccccc2[N+](=O)[O-])s1 26364613 MOXQZCUATHAVTB-UHFFFAOYSA-N 431.499 4.319 5 20 IIBD NC(=O)c1ccc(SCC(=O)Nc2nc(-c3cccc(Cl)c3)cs2)c([N+](=O)[O-])c1 32577925 IBILAJQSCXATCT-UHFFFAOYSA-N 448.913 4.201 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)cc1C 57755578 LNQBCGVDHCXNLG-QGZVFWFLSA-N 441.509 4.225 5 20 IIBD CC(C)CC(=O)Nc1cccc(CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])c1 64113671 LWIWIPIAZWYWER-UHFFFAOYSA-N 435.484 4.156 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNCc1csc(N(C(C)=O)c2ccc(C)cc2)n1 237203250 CGRKOUDMXIIAOF-UHFFFAOYSA-N 426.498 4.343 5 20 IIBD Cn1ccnc1C(=O)c1ccc(Sc2nnc(-c3cccc(Cl)c3)o2)c([N+](=O)[O-])c1 301297942 YTAXEOPTLLNVJC-UHFFFAOYSA-N 441.856 4.414 5 20 IIBD C[C@H]1C[C@@H](Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CCN1Cc1ccccc1 301557837 SXJNPADGSZHBSX-PXNSSMCTSA-N 433.512 4.024 5 20 IIBD COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)c1 409544607 LNWCGRQOWKGOSB-RDJZCZTQSA-N 438.402 4.307 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(I)c(C)n1 410007842 YCHHXXRUCBLYHW-UHFFFAOYSA-N 443.266 4.267 5 20 IIBD Cc1nc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1I 427894553 JBWOYYNYJNUJSF-UHFFFAOYSA-N 439.234 4.370 5 20 IIBD COc1cc2c(c(OC)c1OC)CCN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)CC2 432337648 BRVBXULMVYRCJV-UHFFFAOYSA-N 442.512 4.159 5 20 IIBD Cc1noc(-c2ccc(C(F)(F)F)cc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)n1 432467022 VSQAZKHZIZTGCU-UHFFFAOYSA-N 442.375 4.081 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 435223097 QAVQGLVEYXIRHD-LBPRGKRZSA-N 449.476 4.201 5 20 IIBD O=C(NCc1ccc(Cn2ccnc2)cc1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 435876661 ZFNRECBHFJJVKM-UHFFFAOYSA-N 444.441 4.134 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)NC[C@H]2CCC(F)(F)C2)cc1[N+](=O)[O-] 435961317 RFRUBTOOCKMJJI-AWEZNQCLSA-N 431.439 4.057 5 20 IIBD CN1CCO[C@@H]([C@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 436387878 RPWQFFXQTQFKDI-NVXWUHKLSA-N 430.814 4.146 5 20 IIBD Cc1ccc2nc(-c3ccc(NC(=O)Cn4c(C)c([N+](=O)[O-])ccc4=O)cc3)sc2c1 436473637 JVMHKVLBMLOBQR-UHFFFAOYSA-N 434.477 4.289 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C)c(Cl)c(C)c1 441856942 FTSKVOAVVQBYIH-KRWDZBQOSA-N 435.933 4.355 5 20 IIBD Cc1ccc(S(=O)(=O)N(Cc2csc(Br)c2)C2CC2)cc1[N+](=O)[O-] 443753159 VXBDCHGMSZKVAU-UHFFFAOYSA-N 431.333 4.081 5 20 IIBD Cc1ccccc1[C@H](CC(F)(F)F)NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 443980558 NBYZNRYSOPZYDD-HNNXBMFYSA-N 439.415 4.423 5 20 IIBD Cn1cnc([N+](=O)[O-])c1-c1noc(-c2nn(-c3ccc(Cl)cc3Cl)c3c2CCC3)n1 445574269 KKONRJGMSGLKBS-UHFFFAOYSA-N 446.254 4.027 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccc(-n2ccnc2)c(Cl)c1 446123418 TWJMIFSAEZCGLM-UHFFFAOYSA-N 435.665 4.378 5 20 IIBD Cn1ccnc1Sc1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 446134272 CMNGHZQEWRPQCX-UHFFFAOYSA-N 447.314 4.423 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 446490014 HCHCAAQHCJQABU-NRFANRHFSA-N 439.493 4.218 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)c1cccc(C)c1[N+](=O)[O-] 447633300 XKPJPPMPDXNLHP-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NC[C@H](c1ccccc1)N1CCOCC1 447673312 XIHPKVFFRYUYKR-OAHLLOKOSA-N 446.376 4.129 5 20 IIBD Cc1nc(CNC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)oc1-c1ccc(Cl)cc1 460371319 GTCBRFDBTLLNRN-UHFFFAOYSA-N 442.859 4.316 5 20 IIBD O=C(N[C@H]1CCCc2occc21)c1cc(C(=O)N[C@@H]2CCCc3occc32)cc([N+](=O)[O-])c1 460868127 ASXZKFJZWPSMNE-BGYRXZFFSA-N 449.463 4.396 5 20 IIBD O=C1C[C@H](Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CN1c1ccccc1F 461928479 MVJOGEAVJLEUKA-VIFPVBQESA-N 434.296 4.000 5 20 IIBD Cc1cnc(Sc2nc3cc(Cl)ccc3c(=O)n2Cc2ccco2)c([N+](=O)[O-])c1 463054440 NXJPPIJYGAJDGR-UHFFFAOYSA-N 428.857 4.454 5 20 IIBD COc1cc(CN2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)c([N+](=O)[O-])cc1F 463496895 CUIQIUNJZVNEBY-UHFFFAOYSA-N 442.274 4.007 5 20 IIBD COc1ccc(COc2cccc(F)c2)cc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] 463563860 OHRAROPXCKSDSK-UHFFFAOYSA-N 439.443 4.396 5 20 IIBD COc1ccc(Br)cc1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 463583994 URWFMLVQLHODEJ-UHFFFAOYSA-N 433.180 4.315 5 20 IIBD CCOc1ccc(CN(C(C)C)S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 463692342 DSVPOUPPTZGOKL-UHFFFAOYSA-N 429.498 4.141 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H](n2cccn2)Cc2ccccc21 464422796 SGXIDLWEJJUCSQ-PBHICJAKSA-N 426.860 4.043 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NC[C@]2(C)CCO[C@H]2C2CC2)c([N+](=O)[O-])c1 466636696 VDUNDLVQZASDLD-UPVQGACJSA-N 438.480 4.230 5 20 IIBD O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H]1c1cc(F)cc(Br)c1 467199190 XXWOZPIMVHRARJ-DLBZAZTESA-N 439.281 4.073 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCc2nc(-c3ccccc3F)cs2)cc1OC 468190436 AHIIGCTVNACEJF-UHFFFAOYSA-N 431.445 4.195 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]1c1nc2ccccc2n1C(C)C 471024516 AHEIGEAELFARLZ-FQEVSTJZSA-N 437.500 4.310 5 20 IIBD CC(=O)Nc1cc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)cc(C(F)(F)F)c1 471702050 SRZILFOONXVQMK-UHFFFAOYSA-N 433.346 4.010 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 475554030 QHIRTEITITVORD-UHFFFAOYSA-N 427.486 4.302 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 479145531 CGJNUAPUTXIXJC-UHFFFAOYSA-N 442.881 4.323 5 20 IIBD Cc1ccc(NC(=O)N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)cc1[N+](=O)[O-] 479764492 MCPDEZHWRIEBIE-QGZVFWFLSA-N 438.253 4.410 5 20 IIBD CC[C@@H](Cc1ccccc1Br)N(C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 479787147 WMHNVKBSIFBILA-AWEZNQCLSA-N 435.274 4.179 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCC(CO)(c2ccccc2)CC1 479997512 YYNMCFHZPDUWTA-UHFFFAOYSA-N 448.469 4.126 5 20 IIBD COc1cc(C(=O)Nc2cc(C(=O)N3CCCCC3)ccc2Cl)cc([N+](=O)[O-])c1C 480091847 IZHIMUXKMKUFSX-UHFFFAOYSA-N 431.876 4.444 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@@H](C)c3ccc(NC(N)=O)cc3)cc2[N+](=O)[O-])C1 480347046 FMDCKGYVJHAPAP-XHSDSOJGSA-N 439.516 4.059 5 20 IIBD CO[C@]1(C)CCCN(c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])C1 480353729 HLQAUGFDMNJZMP-OAQYLSRUSA-N 433.530 4.018 5 20 IIBD CCOc1cc(N2CCN(CC(=O)Nc3c(C)cc(C)cc3Cl)CC2)ccc1[N+](=O)[O-] 482872113 IRXVYCAWSKBMKG-UHFFFAOYSA-N 446.935 4.024 5 20 IIBD CCOC(=O)c1csc([C@@H]2CCCN2C(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)n1 482946512 LFTDKPMJKXACHS-YJBOKZPZSA-N 431.514 4.160 5 20 IIBD Cc1ccc(-n2ncc(NC(=O)C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)c2C(C)C)cc1 483442871 BLXGRCAUWYIVOO-MRXNPFEDSA-N 435.484 4.028 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CSc3ccc(Br)cc32)s1 486465470 GOZWTUSFPFJZBO-SECBINFHSA-N 435.346 4.081 5 20 IIBD C[C@@H](Sc1nnc(-c2ccco2)n1Cc1ccco1)C(=O)Nc1ccc([N+](=O)[O-])cc1 489408504 SBDYAYFWHMTGEA-CYBMUJFWSA-N 439.453 4.207 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cc2ccc(OC(F)(F)F)cc2[nH]1 490398650 MQWRZFLAFHXEDK-UHFFFAOYSA-N 432.318 4.012 5 20 IIBD Cn1c(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)nc2cc(Cl)ccc21 490559954 VRJPCDWMSXXQHO-UHFFFAOYSA-N 427.873 4.188 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)cc1Br 494387782 VIIWHOBMDJBTBT-NSHDSACASA-N 436.262 4.335 5 20 IIBD CCOc1ccc([C@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])c2ccccc2)cc1 500655191 XHDUBODCEPOMGR-HSZRJFAPSA-N 440.521 4.245 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccccc2)C2CCCC2)cc1OC 502698365 FKQXPFQBQDRMKV-JOCHJYFZSA-N 428.485 4.290 5 20 IIBD CC[C@H](CSc1ccccc1[N+](=O)[O-])NC1CCC(C(=O)N2CCSCC2)CC1 504927924 WLLUXJZTBOSRHS-LXPRWKDFSA-N 437.631 4.189 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CSCc3nc(O)c4c5c(sc4n3)CCC5)n2)c1 504974695 JFLLBTWHRCIWQF-UHFFFAOYSA-N 441.494 4.277 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(OCc2cc(Cl)cc3cccnc23)c([N+](=O)[O-])c1 505847247 XJNNVQAOKZMHBV-UHFFFAOYSA-N 449.916 4.406 5 20 IIBD Cc1c(Br)cc(C(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)cc1[N+](=O)[O-] 509899724 PEPHUMSBIRQLLW-KRWDZBQOSA-N 447.264 4.058 5 20 IIBD COc1cccnc1N(C)C(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 511185728 HTKHHWJYBNPCAD-UHFFFAOYSA-N 437.477 4.228 5 20 IIBD COC(=O)c1cc(C(=O)N[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)cc([N+](=O)[O-])c1 511687559 DWTVPGQGHFCMFU-AWEZNQCLSA-N 448.300 4.016 5 20 IIBD Cc1c(Br)cc(C(=O)N[C@H](C)[C@H]2OCCc3sccc32)cc1[N+](=O)[O-] 515320514 QSTMLKOUAOFQGU-QLJPJBMISA-N 425.304 4.160 5 20 IIBD COc1cccc(-c2nc(Cc3c[nH]c4ccc(Br)cc34)no2)c1[N+](=O)[O-] 515478276 LDVVBSOZIBEGHL-UHFFFAOYSA-N 429.230 4.488 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(NC[C@@H]3CCN(c4ccc(Br)cc4)C3)cc2N1 516547445 OHBYUWOLTGPCKE-ZDUSSCGKSA-N 445.317 4.180 5 20 IIBD COc1ccc(CNC(=O)c2ccccc2SCc2c(C)noc2C)cc1[N+](=O)[O-] 517460128 FUCCXCTVDYKKKB-UHFFFAOYSA-N 427.482 4.431 5 20 IIBD CC(=O)Nc1cccc(Nc2nnc(SCCOc3ccc([N+](=O)[O-])cc3)s2)c1 520013629 BVFJNCSHPCWEKX-UHFFFAOYSA-N 431.499 4.319 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 520017574 PCNJHKISFYJEDV-UKILVPOCSA-N 430.479 4.330 5 20 IIBD O=C(CN1CCCCCC1)Nc1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 520324915 SXKLARNJUXBEPI-UHFFFAOYSA-N 430.892 4.315 5 20 IIBD O=C(N[C@H](c1ccccc1)C1CCCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 521462064 ZMEHKANNZKIVCA-HXUWFJFHSA-N 442.541 4.055 5 20 IIBD O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCCN1C(=O)Cc1ccccc1[N+](=O)[O-] 523444554 SLMDOLVYQWZZAY-GOSISDBHSA-N 436.295 4.464 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccnc(Oc2ccccc2Cl)c1 524023339 WCKIECZZXCYCJI-UHFFFAOYSA-N 440.843 4.194 5 20 IIBD Cc1cc(-c2ncccc2NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cs1 526098604 DDTOUMZZYNKLFZ-UHFFFAOYSA-N 438.465 4.354 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)CSc3ccccc32)cc1OC 533147175 ASHKELYMOWITBW-CQSZACIVSA-N 432.498 4.017 5 20 IIBD CN1C(=O)COc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)ccc21 533209008 VEWMBCJALDCUMZ-UHFFFAOYSA-N 435.461 4.354 5 20 IIBD CCn1cc(S(=O)(=O)N(Cc2cccc3ccccc23)C2CCCC2)c([N+](=O)[O-])n1 533636285 HFLFZYQLUJFTOK-UHFFFAOYSA-N 428.514 4.098 5 20 IIBD O=C(CN(Cc1cccc(-c2cccnc2)c1)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 533824136 FALWZHONXLBFKT-UHFFFAOYSA-N 428.492 4.211 5 20 IIBD Cc1cc(OC[C@H](O)Cn2cc(Br)c([N+](=O)[O-])n2)c(C(C)C)cc1Cl 534385805 UCJFHTZQYUJNLT-LLVKDONJSA-N 432.702 4.079 5 20 IIBD CN(C)c1cccc(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1 535129952 NQQRXJKUGVSSHE-UHFFFAOYSA-N 426.860 4.432 5 20 IIBD COc1cc(CCNC(=O)C2(c3ccc(F)cc3F)CCCC2)c([N+](=O)[O-])cc1OC 536385560 FVVLRAPFUSDZKJ-UHFFFAOYSA-N 434.439 4.061 5 20 IIBD O=C(NCCNc1ncnc2ccc([N+](=O)[O-])cc12)c1[nH]c2ccc(Cl)cc2c1Cl 538282730 LWIYTSWCPVZWTL-UHFFFAOYSA-N 445.266 4.168 5 20 IIBD Cc1ccc(-c2noc([C@H](C)N[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)n2)cc1F 541690711 RBIJWKJIODBONK-RYUDHWBXSA-N 447.854 4.424 5 20 IIBD C[C@H](CN(C)C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1nccs1 542345278 BXHWCJSHXHSBMF-SNVBAGLBSA-N 440.312 4.420 5 20 IIBD COc1ccc(Cc2nc(Cc3cn4cc(Cl)cc(Cl)c4n3)no2)cc1[N+](=O)[O-] 544349838 AVOMYSRREBSRBV-UHFFFAOYSA-N 434.239 4.123 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccccc2N2CCN(C)CC2)no1 547134540 XFWSDTVNXQYWFW-CQSZACIVSA-N 443.891 4.190 5 20 IIBD CCN(C[C@@H]1CCCN1CC)C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 548454923 YOLICVXHZOZHEQ-MJGOQNOKSA-N 425.533 4.109 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COc1cc(F)c(Br)cc1Cl 548946179 FUWIYCBUDQBKKU-UHFFFAOYSA-N 433.617 4.176 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2cccnc2)cc1[N+](=O)[O-] 551438163 ROPMEHGLJXWOAR-NRFANRHFSA-N 432.480 4.132 5 20 IIBD C[C@H]1CN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)CCCO1 556065804 XUMHDQAFLKALHQ-LIRRHRJNSA-N 448.317 4.148 5 20 IIBD CCCN(C)[C@H](CNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 557061776 IHPFHEOIZCOSQQ-GOSISDBHSA-N 435.908 4.078 5 20 IIBD COc1cc(-c2nc(-c3cnn(C)c3)no2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 558010208 IJQUFNDTVBEJRC-UHFFFAOYSA-N 427.804 4.500 5 20 IIBD CCOc1c(Cl)cc(CN[C@@H](c2cccc([N+](=O)[O-])c2)c2nccn2C)cc1OC 569219721 ZQEYGXGLGSKUAQ-IBGZPJMESA-N 430.892 4.268 5 20 IIBD CC(C)N(Cc1cc(Br)ccc1F)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 603526565 REMTZECYQVYIFC-UHFFFAOYSA-N 439.237 4.276 5 20 IIBD COc1ccc(-c2nnc(SCc3nc(-c4ccc([N+](=O)[O-])cc4)no3)o2)cc1OC 603680152 HXQQTZLUKOLWJZ-UHFFFAOYSA-N 441.425 4.004 5 20 IIBD COc1cc([C@@H](C)NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)ccc1OCCC(C)C 603814491 DMPUUCOSKQDMBZ-CQSZACIVSA-N 430.457 4.248 5 20 IIBD O=C(N[C@@H](c1ccc(Br)cc1)C1CCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 604017723 UCPRONDBUHHENM-GOSISDBHSA-N 433.258 4.357 5 20 IIBD C[C@@H](Cn1cccn1)NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 604103454 QLYNRTULXGFKHQ-ZDUSSCGKSA-N 439.522 4.371 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 604474314 KDSPRFCVMLLENW-UHFFFAOYSA-N 430.508 4.212 5 20 IIBD O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 604517419 DZMCZSVDPGRVOZ-UHFFFAOYSA-N 440.462 4.352 5 20 IIBD CCOc1cc(C(=O)N(C)C[C@H]2CCCO[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OC 604519175 QAHKMFCEFJBDGP-VGSWGCGISA-N 428.485 4.242 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cc1OC 604519285 ZQMOVYDRSXRXSF-HTAPYJJXSA-N 428.485 4.242 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)C[C@H]1CCCO[C@H]1c1ccccc1 604520811 SOYZERUGZOFOAU-CECAUBDESA-N 427.501 4.030 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N(C)C[C@H]2CCCO[C@H]2c2ccccc2)c([N+](=O)[O-])c1 604521540 PUQPINQGGLJCQW-CECAUBDESA-N 427.501 4.030 5 20 IIBD O=C(Nc1ccc2c(ccn2CCN2CCOCC2)c1)Nc1ccc([N+](=O)[O-])cc1Cl 608800456 LWFAZNRTNXQQIL-UHFFFAOYSA-N 443.891 4.179 5 20 IIBD CC[C@H](C)Oc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 608806873 WPYOQRTVLAMLPM-HRAATJIYSA-N 425.485 4.324 5 20 IIBD Cc1c(Br)cccc1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 608872722 ZEZGONBOOYXMRR-UHFFFAOYSA-N 448.302 4.198 5 20 IIBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cnc(Cc2ccc(F)cc2)s1 608896421 WGYDWUGDPIZDNB-UHFFFAOYSA-N 429.429 4.195 5 20 IIBD COc1cc(C(=O)NCCCc2nc(C)no2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 608965724 BTYTUOZWTRORPM-UHFFFAOYSA-N 446.847 4.103 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)ccc1[N+](=O)[O-] 609657955 XTGZYCSORLBFOL-UHFFFAOYSA-N 443.403 4.071 5 20 IIBD COC(=O)c1ccc(C(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)cc1 609817619 UYEOSXOLKYLTHY-UHFFFAOYSA-N 432.392 4.079 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCC[C@H]1c1ccccn1 609874535 ISMQZKJYMUDANE-KRWDZBQOSA-N 432.267 4.460 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1Br)Nc1ccccc1Br 609961705 HOGPMHYUUGJZIG-UHFFFAOYSA-N 430.052 4.137 5 20 IIBD C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(NC(=O)C2CC2)cc1 610039634 UHXQMCQYLNYRHC-LLVKDONJSA-N 432.274 4.197 5 20 IIBD COc1cc(C(=O)Nc2ccccc2CN2CCc3ccccc32)cc([N+](=O)[O-])c1OC 610170932 DBSYBMLMMZKWGM-UHFFFAOYSA-N 433.464 4.427 5 20 IIBD Cc1cc(NC(=O)COc2ccc(Br)cc2[N+](=O)[O-])ccc1Br 610219558 ORIVDCKGIDMSGE-UHFFFAOYSA-N 444.079 4.446 5 20 IIBD CNS(=O)(=O)c1ccc(N[C@@H](C)c2ccc(-c3csc(C)n3)cc2)c([N+](=O)[O-])c1 612113586 CSUCGOGAYSCHLL-LBPRGKRZSA-N 432.527 4.108 5 20 IIBD C[C@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(OCc2cccnc2)cc1 725826619 GWJOBWKCVZWKMQ-AWEZNQCLSA-N 447.900 4.262 5 20 IIBD COc1ccc(CCN(Cc2ccccc2)C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1 727091814 YKVGXOYKJZSHDF-UHFFFAOYSA-N 444.491 4.225 5 20 IIBD O=C(OCc1coc(-c2ccc(F)c(F)c2)n1)c1cc([N+](=O)[O-])ccc1N1CCCC1 728618043 VNYBUIAMUYOUQJ-UHFFFAOYSA-N 429.379 4.485 5 20 IIBD O=C(OCc1c(F)cccc1[N+](=O)[O-])[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 728994164 KGGMDVUMBOSTJR-NSHDSACASA-N 427.215 4.137 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 729814239 UHIPYRYJDILCLR-HUUCEWRRSA-N 444.484 4.239 5 20 IIBD CC(=O)c1csc(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)c1 730211314 PZRHBZAKYFUZAM-QGZVFWFLSA-N 430.482 4.101 5 20 IIBD CC(C)N(Cc1cccc(F)c1)C(=O)c1ccc(I)c([N+](=O)[O-])c1 730471271 MHLBBMIIRQKVEA-UHFFFAOYSA-N 442.228 4.389 5 20 IIBD O=C(NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1C[C@H]1c1cccc2ccccc12 730922875 MXBSRZCXTRDSJN-JKSUJKDBSA-N 430.869 4.010 5 20 IIBD C[C@@H](OC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)c1ccc(C(C)(C)C)cc1 731101067 JLOOSKFGXAPUPL-CYBMUJFWSA-N 446.887 4.090 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 731105584 KWOYNWJCCKIPTF-SFHVURJKSA-N 439.390 4.313 5 20 IIBD Cc1ccc(C)c(NC(=O)Cc2nc(COC(=O)c3cc(F)cc([N+](=O)[O-])c3)cs2)c1 731528148 BRLWNVNYQLTMPM-UHFFFAOYSA-N 443.456 4.345 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1ccccc1SC(F)(F)F 731624873 QDVKJSDKLNRCTJ-UHFFFAOYSA-N 430.360 4.045 5 20 IIBD O=C(C[C@H](c1ccccc1)C(F)(F)F)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 735350516 WYPLUVHHRJNSFN-OAHLLOKOSA-N 438.358 4.172 5 20 IIBD Cc1cc(C)c(N2C[C@H](C(=O)OCc3cnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2=O)c(C)c1 735445508 JJOOXZASXBFDGG-GOSISDBHSA-N 449.463 4.271 5 20 IIBD CC1=C(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)C(=O)OC1(C)C 735458696 QDMXOCTZVLCRRA-UHFFFAOYSA-N 448.834 4.448 5 20 IIBD C[C@@H](CC(=O)O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(C(F)(F)F)c1 738745554 UVNVXBNICLCIEO-UGSOOPFHSA-N 436.386 4.456 5 20 IIBD CCOc1ccc([C@@H]2CCCN2C(=O)COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 740394452 FSVGYPSBWDVPPU-NRFANRHFSA-N 440.496 4.178 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1)[C@@H]1CCOC1 741961256 CDOBGFXLKOFASB-WIYYLYMNSA-N 437.540 4.209 5 20 IIBD C[C@@H]1C[C@@H](c2ccccc2F)N(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 742333073 SUPBPNZGELHPGK-DIFFPNOSSA-N 443.294 4.268 5 20 IIBD O=C(COC(=O)[C@@H]1C[C@@]12CCCc1ccccc12)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 745715787 HDESARGYUIYGQZ-LAUBAEHRSA-N 448.397 4.390 5 20 IIBD CC(C)(CNC(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)S(C)(=O)=O 748739607 HXLAVRMNPCOOOQ-UHFFFAOYSA-N 435.545 4.486 5 20 IIBD O=C1C[C@H](C(=O)N(CC(F)F)c2cccc(Cl)c2)CN1c1ccc(F)c([N+](=O)[O-])c1 753663709 BMUYLYKNHRWJEG-NSHDSACASA-N 441.793 4.039 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N(Cc2ccccc2)C[C@H](O)c2ccco2)c1Br 754058709 DIIPCRCUEZQFJX-INIZCTEOSA-N 432.274 4.394 5 20 IIBD CC(C)C(=O)Nc1cccc(OC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c1 755009892 YJJVLFPOHGATEK-UHFFFAOYSA-N 425.210 4.310 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)CCSc1ccccn1)c1cccc([N+](=O)[O-])c1 755202153 ZUZYQNWYIVEMAX-SFHVURJKSA-N 443.525 4.100 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])O[C@@H]([C@@H]1CCCO1)C(F)(F)F 757556178 MJJSDMKWMVXHGJ-JSGCOSHPSA-N 430.301 4.069 5 20 IIBD Cc1c(C(=O)NC2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 760888394 TYGWISGANNNOAQ-GJZGRUSLSA-N 440.500 4.006 5 20 IIBD Cc1c(-c2nc(-c3ccc(SC(C)(C)C)cn3)no2)nnn1-c1cccc([N+](=O)[O-])c1 762388269 CWYNRAMGJQGCHN-UHFFFAOYSA-N 437.485 4.487 5 20 IIBD Cc1nn(CCC(=O)N2CCCc3cc(N4CCCC[C@H]4C)ccc32)c(C)c1[N+](=O)[O-] 763217067 DLFNVXSFLYEAAX-MRXNPFEDSA-N 425.533 4.156 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCc3ccc(OC)cc3C2)c1=S 764914697 JNCJXKWZHMUSQV-UHFFFAOYSA-N 425.514 4.034 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC(=O)Nc1ncc(Cl)cc1Cl 765527098 QRWVMOYXYUPHJQ-GFCCVEGCSA-N 426.256 4.047 5 20 IIBD O=C(CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)NC[C@@H]1CCCS1(=O)=O 766361829 QGOOCZVFPZUFHP-IBGZPJMESA-N 433.529 4.240 5 20 IIBD O=C(Nc1ccccc1SC(F)(F)F)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 766408139 RIBAAXORDRSCPR-UHFFFAOYSA-N 439.371 4.112 5 20 IIBD O=C(N[C@@H](c1cccc(F)c1)c1ccccn1)c1ccc(Br)c([N+](=O)[O-])c1 766563617 DUOXQMFHFYTGMH-SFHVURJKSA-N 430.233 4.411 5 20 IIBD O=C(Nc1ccc(-c2ncco2)cc1)c1ccc(I)c([N+](=O)[O-])c1 766671367 JXLSWQJBSZYBQS-UHFFFAOYSA-N 435.177 4.107 5 20 IIBD Cc1cc(S(=O)(=O)N2CCC(=Cc3ccc(F)c(F)c3)CC2)cc([N+](=O)[O-])c1F 768909801 KOYWOXLJVYBTCB-UHFFFAOYSA-N 426.416 4.189 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1CCCN(C(=O)c3cccc4ccccc34)C1)CC2 774217887 IBAIWHPVXLUJPC-HXUWFJFHSA-N 443.503 4.498 5 20 IIBD COC(=O)c1cccc(COc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)n1 774784444 ACEPXXPCJQUDQX-UHFFFAOYSA-N 432.388 4.129 5 20 IIBD COc1cccc(C2(NCc3ccc(Br)c([N+](=O)[O-])c3)CCOCC2)c1F 775046948 IPMQYLXPIRFMHA-UHFFFAOYSA-N 439.281 4.301 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Cl)C1CCN(C(=O)c2ccc(F)cc2F)CC1 778093591 HDJVXMYFJBWMIG-UHFFFAOYSA-N 438.814 4.122 5 20 IIBD C[C@@H](OC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 780074107 CMOHLDNPIVTOLU-MRVPVSSYSA-N 432.738 4.157 5 20 IIBD C[C@H](OC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C(=O)N(C)c1ccccc1 781257014 ITEZWGQGSSYLBN-ZDUSSCGKSA-N 436.414 4.168 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 781339668 HYCLVNHHJFTUPE-ZDUSSCGKSA-N 431.411 4.133 5 20 IIBD CC(C)(C)OC(=O)NCc1cccc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 781683889 COXFFZVJDPYACM-UHFFFAOYSA-N 444.444 4.099 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 782723397 HVEHVHBEFKWLGB-VXGBXAGGSA-N 444.435 4.154 5 20 IIBD Cc1ccc(Br)nc1C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 786385864 SDQJXPOWSBJYNS-SNVBAGLBSA-N 433.218 4.029 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2nnc(-c3cc4ccccc4o3)s2)cc1[N+](=O)[O-] 787986780 UOJPCQZUKZKHNS-UHFFFAOYSA-N 425.382 4.328 5 20 IIBD COc1cc(OC)c2cc(CCCNC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])[nH]c2c1 790556418 GLYJDKPBLXQSOA-UHFFFAOYSA-N 449.866 4.177 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1cccc2c1OCC2(C)C 790636350 OFFQWYYKLXYAGP-UHFFFAOYSA-N 436.468 4.366 5 20 IIBD O=C(COC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1cccc(Cl)c1Cl 790745343 HVLPXWVJSLIFML-UHFFFAOYSA-N 435.622 4.419 5 20 IIBD CC1(C)C[C@H](NCc2ccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)c2cc([N+](=O)[O-])ccc21 793569533 UCMZGQZJQHLGBG-OFVILXPXSA-N 448.523 4.332 5 20 IIBD Cc1nc2cc(C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)ccc2o1 795683156 WRKCNKIPVLIIOU-SECBINFHSA-N 437.330 4.247 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 800148775 RUJBSBHQXAXNML-UHFFFAOYSA-N 426.370 4.311 5 20 IIBD COCCn1c(CSc2ccc(Cl)cc2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 802398821 WQMZCUBCHAXZGK-UHFFFAOYSA-N 447.948 4.415 5 20 IIBD CN(Cc1ccc(OCC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1N1CCOC1=O 804778526 ZANJZTJAFXQMNY-UHFFFAOYSA-N 425.363 4.129 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)s1 811289471 ZMDDOEJZINMJCX-UHFFFAOYSA-N 449.485 4.132 5 20 IIBD CSCc1cccnc1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 811437988 NUEWLYXKXGGXMU-JTQLQIEISA-N 443.403 4.056 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 811550917 DOGMERNKGYSBMU-SHTZXODSSA-N 430.505 4.137 5 20 IIBD O=C(NC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1)Oc1ccccc1 815317011 PTJSYZGJFUZNIK-UHFFFAOYSA-N 437.374 4.007 5 20 IIBD O=C1CCCN1CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c2ccccc21 815767806 CMBBLTMNPHAYSP-AWEZNQCLSA-N 447.413 4.370 5 20 IIBD CCOc1ccc(-c2nc(C(=O)OCC(=O)Nc3c(C)cccc3[N+](=O)[O-])cs2)cc1 914994171 VASBRFFHORVDJQ-UHFFFAOYSA-N 441.465 4.221 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)Nc2ccccc2C)cc1 915250034 PNJDYUCJEXPNCK-UHFFFAOYSA-N 436.420 4.500 5 20 IIBD O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc(Cl)ccc1[N+](=O)[O-] 916396673 BNEUOCXCSFXKOD-UHFFFAOYSA-N 429.782 4.356 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1I)N(CCc1ccccc1)C1CC1 918564398 GOLXOOBUEBYMCZ-UHFFFAOYSA-N 436.249 4.047 5 20 IIBD O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 918734927 BXYZVODUGQZCGH-UWVGGRQHSA-N 425.329 4.054 5 20 IIBD C[C@H](Oc1ccc(C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cn1)c1ccccc1 919213568 BHWZIKDHWICLOB-AWEZNQCLSA-N 439.399 4.064 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cc2ccc(OC(F)(F)F)cc2[nH]1 919523431 IERZANSSURHUCM-UHFFFAOYSA-N 448.313 4.382 5 20 IIBD O=C(CN1C(=O)COc2ccc(Cl)cc21)Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-] 920331263 WPIRMMYQUMCOJN-UHFFFAOYSA-N 438.823 4.246 5 20 IIBD Cc1[nH]c2ccccc2c1C1=CCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 920787371 MWJQAVRNWWRZFK-UHFFFAOYSA-N 438.871 4.292 5 20 IIBD O=C(NCCN1CC=CC1)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1318954365 ZCYQLIBDFLTCLB-UHFFFAOYSA-N 437.443 4.366 5 20 IIBD O=C(NCC(F)(F)F)[C@H]1CCN(Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 1324233698 JAVWMXNWFDWVOL-NSHDSACASA-N 431.798 4.009 5 20 IIBD Cc1ccc(-c2cc(-c3nnc(Cn4cc([N+](=O)[O-])ccc4=O)o3)c3ccccc3n2)cc1 1326118231 XWSUXZXLXWJSFV-UHFFFAOYSA-N 439.431 4.378 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(Cn1nc(N3CCCCC3)n(-c3ccccc3)c1=S)C2 1339603218 CAXHUFKOVOVVLN-UHFFFAOYSA-N 436.541 4.275 5 20 IIBD O=C(Nc1ccc(Cl)cc1I)N1Cc2ccc([N+](=O)[O-])cc2C1 1340411235 PJCSQHHWQROMFM-UHFFFAOYSA-N 443.628 4.401 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)NC1(c2ccc(NC(=O)c3cnccc3F)cc2)CCC1 1788351946 UAWQUWYZXQLHDT-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD Cc1nc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])o4)CCC3)cc2)sc1C 1789981675 VURBJIYVRRTMHL-UHFFFAOYSA-N 440.481 4.323 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4c(C)ccn4C)cc3)CCC2)ncc1[N+](=O)[O-] 1790181462 FICUBRDLQWENCD-UHFFFAOYSA-N 447.495 4.007 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21)c1ccc([N+](=O)[O-])o1 1797868245 OBFYSPRLQIQYNM-ZBLLQYKHSA-N 429.517 4.046 5 20 IIBD Cc1ccc([C@@H](C)C(=O)N2CCC3(CCCN(C(=O)c4ccc([N+](=O)[O-])o4)C3)CC2)cc1 1804653547 FPGFZTFEBWMZIM-GOSISDBHSA-N 439.512 4.145 5 20 IIBD CCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830615446 FOOFEZBCHVFARD-FQEVSTJZSA-N 433.524 4.403 5 20 IIBD CCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc(F)ccc2[N+](=O)[O-])CC1 1832888795 NJQDNZJGKUAMIQ-FQEVSTJZSA-N 447.551 4.332 5 20 IIBD CC(=O)N(c1nc(COC(=O)Cc2ccccc2[N+](=O)[O-])cs1)c1ccccc1F 11466139 LHFXGHYUFNALIW-UHFFFAOYSA-N 429.429 4.161 5 20 IIBD Cc1cc(F)ccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 15975723 DMLMYGAIDALGHZ-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD Cc1cccc(Nc2nnc(Sc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])s2)c1C 18900820 BJTDEAIYPJKTIA-UHFFFAOYSA-N 436.540 4.361 5 20 IIBD COc1cc(NC(=O)c2ccccc2)c(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1OC 19605201 CXHWQHRNOWSZLQ-UHFFFAOYSA-N 436.420 4.221 5 20 IIBD COc1ccc(NC(=O)CSc2nnc(Nc3cccc(F)c3)s2)c([N+](=O)[O-])c1 22170991 FJIVTAHOBAYGDR-UHFFFAOYSA-N 435.462 4.068 5 20 IIBD CC(C)(C)c1ccccc1NC(=O)COC(=O)c1ccc(Br)c([N+](=O)[O-])c1 22622469 LVRICZZJRNEIHT-UHFFFAOYSA-N 435.274 4.450 5 20 IIBD Cc1oc(-c2ccccc2)nc1CC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 26024827 BTZBHTMLRLNJLU-UHFFFAOYSA-N 448.401 4.348 5 20 IIBD O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 27823000 ZPUJMGOBGINSOY-FQEVSTJZSA-N 430.508 4.463 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1csc(-c2ccco2)n1)c1ccccc1[N+](=O)[O-] 29565057 VKSRDHAWGJRLBB-AWEZNQCLSA-N 429.454 4.124 5 20 IIBD O=[N+]([O-])c1cc(I)ccc1NCc1ccc(-n2ccnc2)c(F)c1 63254684 UOCXTZVMZBPRJI-UHFFFAOYSA-N 438.200 4.136 5 20 IIBD CC(C)Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2I)cc1 72068884 SMGVWQJASWXYBZ-UHFFFAOYSA-N 426.210 4.239 5 20 IIBD COc1cc(C(=O)OCc2csc(COc3ccc(F)cc3)n2)c([N+](=O)[O-])cc1OC 105071475 OPFDTRRRVDAQAO-UHFFFAOYSA-N 448.428 4.144 5 20 IIBD O=c1c2ccc([N+](=O)[O-])cc2ncn1Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 105625378 TVXHDKURVGYLDY-UHFFFAOYSA-N 432.383 4.495 5 20 IIBD COc1ccc([C@H](C)NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1Br 115255895 WPYZAWYPXNUFCL-NSHDSACASA-N 434.290 4.431 5 20 IIBD O=C(COC(=O)/C=C\c1ccc(Cl)cc1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 207331740 NLANCWKUMBJHPK-BAQGIRSFSA-N 428.750 4.462 5 20 IIBD COc1ccc(CN[C@H](C)c2nnc3ccccn23)cc1OCc1ccc([N+](=O)[O-])cc1 237340848 TZEAETVLFQMSOB-MRXNPFEDSA-N 433.468 4.076 5 20 IIBD CN(Cc1csc2ccccc12)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303543083 UVABYYCWZQDAFH-HNNXBMFYSA-N 429.523 4.134 5 20 IIBD O=C(O)[C@H](Cc1ccc(OC(F)F)cc1)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 426794695 SRLIXGBEJHSFDX-SFHVURJKSA-N 432.379 4.242 5 20 IIBD Cc1cscc1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 427409760 WGMUEYBCMCIQMS-UHFFFAOYSA-N 433.536 4.432 5 20 IIBD CN(CC(=O)O)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2 427775699 GTVOJNAOHMMQNB-DTQAZKPQSA-N 431.448 4.177 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc(Br)cc1[N+](=O)[O-] 430306082 SGBZNAXDAINLFN-VNHYZAJKSA-N 438.322 4.079 5 20 IIBD CCCOc1ccccc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1 431440682 KWJMRKUSHPHGIT-UHFFFAOYSA-N 428.489 4.136 5 20 IIBD COc1cccc(C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)c1[N+](=O)[O-] 435620164 ZUCAFDUDXCKYIR-UHFFFAOYSA-N 441.875 4.494 5 20 IIBD C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 436240742 JPJPJASSHQPKJR-INMHGKMJSA-N 439.506 4.437 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1C[C@H](c2ccccc2)c2ccccc21 436272110 FVEAQLLWWNLBDB-HXUWFJFHSA-N 443.459 4.462 5 20 IIBD O=[N+]([O-])c1ccc2nc(N3CCCN(c4ncnc5sc6ccccc6c45)CC3)[nH]c2c1 440670634 VELAWIVYPCZPBY-UHFFFAOYSA-N 445.508 4.346 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC(c2ccccc2Br)CC1 443645649 AEOPXVYIZYXYJT-UHFFFAOYSA-N 446.301 4.010 5 20 IIBD CCOc1cc(CCCNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)ccc1OC 444035987 KTVMFRJQNPGJKH-UHFFFAOYSA-N 430.504 4.451 5 20 IIBD C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC1 444254874 VTNCYQBAEYIMDJ-INIZCTEOSA-N 444.510 4.171 5 20 IIBD C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1ccc(Br)cc1 444460203 ZYCMVTPOIQFTBF-GFCCVEGCSA-N 430.258 4.162 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N2CCn3c(cc4c(Cl)cccc43)C2)c([N+](=O)[O-])c1 444883346 WHTXXGGMVHAQQE-UHFFFAOYSA-N 435.871 4.188 5 20 IIBD CN(C(=O)Cc1noc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1)C1CCCCC1 445554618 UFOXGJDFTIXIQV-UHFFFAOYSA-N 427.486 4.102 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)[C@H]1CCOc2ccc(Br)cc21 445883494 DLJBWPKMTWZERG-KRWDZBQOSA-N 434.290 4.060 5 20 IIBD COc1ccc(NC(=O)CCc2cccc([N+](=O)[O-])c2)cc1OCc1cn2ccccc2n1 446007852 UHJWVXQJBPSZQY-UHFFFAOYSA-N 446.463 4.401 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 446489747 CQUBKDVEZXWUMI-UHFFFAOYSA-N 437.283 4.200 5 20 IIBD CCC[C@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1nnc2ccccn12 447343873 QIBQUKRAMVCXJB-FQEVSTJZSA-N 445.479 4.488 5 20 IIBD NC(=O)[C@H](Sc1ccc(Br)cc1[N+](=O)[O-])c1ccc(Br)cc1 447349513 GDBUHPDFKDMUIW-CYBMUJFWSA-N 446.120 4.439 5 20 IIBD Cc1cc(C[C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Br)n(-c2ccccc2)n1 448186281 WULUCHSADORNOI-ZDUSSCGKSA-N 443.301 4.212 5 20 IIBD CC[C@H](NC(=O)c1cc(C(=O)N[C@H](CC)c2ccncc2)cc([N+](=O)[O-])c1)c1ccncc1 461025075 VDYPPEJNUYIXIE-SZPZYZBQSA-N 447.495 4.147 5 20 IIBD Cc1nc(C(F)(F)F)sc1C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 461730339 SJIQEXIDQSOQOR-GFCCVEGCSA-N 445.419 4.191 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@@](CO)(c3ccccc3)C2)c([N+](=O)[O-])c1 463427548 CIBRDUPBDOSMCV-AZGAKELHSA-N 445.519 4.219 5 20 IIBD Cc1c(NC(=O)C(=O)NCC(Cc2ccccc2)Cc2ccccc2)cccc1[N+](=O)[O-] 463595537 JZPKHTWNNWZJTL-UHFFFAOYSA-N 431.492 4.060 5 20 IIBD O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1Cc2ccccc2C[C@@H]1c1ccccc1 464220840 INRBTDUJKBEPLG-JOCHJYFZSA-N 425.448 4.115 5 20 IIBD O=C(Nc1cccc(CC(F)(F)F)c1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 464428694 NISCNBFLZNOHTF-CYBMUJFWSA-N 427.404 4.004 5 20 IIBD O=C(Nc1sccc1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccco1 464646782 ZEKSNWGFUVJCDE-UHFFFAOYSA-N 441.465 4.185 5 20 IIBD O=C(N[C@@H](c1ccccc1)c1ccccn1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465432552 LLYLIKQSEPUPRE-QHCPKHFHSA-N 432.480 4.332 5 20 IIBD COc1cc(CCNC(=O)[C@H](C)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])cc1OC 466979942 COIUMMCYKMNPQG-GFCCVEGCSA-N 426.391 4.093 5 20 IIBD O=C(NCCn1cnnc1C1CC1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 467794252 FLNHZNSTPNBRBT-UHFFFAOYSA-N 443.916 4.298 5 20 IIBD O=C(c1ccc(Sc2ccccc2Cl)nn1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 470271424 AGXIIHVRWXKBRD-UHFFFAOYSA-N 442.884 4.093 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCSC[C@@H]3c3nccs3)cc2[N+](=O)[O-])C1 472114344 CWQDSCHUIOBNIK-ZRGWGRIASA-N 446.598 4.464 5 20 IIBD COc1c(C(=O)NC[C@H](c2ccccc2)N2CCc3sccc3C2)cccc1[N+](=O)[O-] 474905882 BBIQEFAKJHCKHA-HXUWFJFHSA-N 437.521 4.194 5 20 IIBD CCOc1cc(C(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)c([N+](=O)[O-])cc1OC 475877705 CPOQEZXFWMARPM-IBGZPJMESA-N 438.839 4.008 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1cc(F)c(F)cc1Cl 476423495 BKAIMAMJYIMNGX-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD CC(=O)N1CCC[C@H](CNC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 477332532 VCRSEWGQWHEPSW-QGZVFWFLSA-N 427.526 4.043 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3cncc(-c4ccc(C)cc4)c3)CC2)ccc1[N+](=O)[O-] 477374134 MTELDXLZWSHOBL-UHFFFAOYSA-N 446.507 4.326 5 20 IIBD C[C@H](c1ccc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCOCC1 477509568 KVPCQBHLEYTVJQ-OAHLLOKOSA-N 432.908 4.006 5 20 IIBD Cc1ccc([C@@H](C)NCc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)cc1[N+](=O)[O-] 481301378 YQHSGRWGOBRCIW-FUHWJXTLSA-N 431.558 4.175 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3n2C(C)C)cc1[N+](=O)[O-] 481441421 UUJNESPQTMBOFD-LJQANCHMSA-N 428.514 4.360 5 20 IIBD O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])cc1I 481778281 KLNNGDLNXKUHRA-AULYBMBSSA-N 440.212 4.015 5 20 IIBD O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 481897315 UDDPUCBCYSZVIU-NFBKMPQASA-N 434.540 4.296 5 20 IIBD CN(CCNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)CC(F)(F)F 482914539 YGRKXKWIVYQKII-UHFFFAOYSA-N 444.841 4.084 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1 485529721 OWOYNRGTVLKRRC-UHFFFAOYSA-N 426.450 4.351 5 20 IIBD CSc1cccc(C(=O)Nc2cc(C(=O)NCC(F)(F)F)ccc2C)c1[N+](=O)[O-] 485765770 XYUTXSMCNYRGTF-UHFFFAOYSA-N 427.404 4.170 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C(=O)Nc1cccc(N2CCCC2)c1 486282176 RYBHTFUJKLCDMP-OAHLLOKOSA-N 442.541 4.064 5 20 IIBD CCCOc1c(Cl)cc(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1OCC 486996820 JUORDJLVKFJYGY-UHFFFAOYSA-N 436.896 4.110 5 20 IIBD O=[N+]([O-])c1cc(CNCc2cc(Br)c3c(c2)OCCO3)cc(C(F)(F)F)c1 487188261 FOZWFLJGOUFHNW-UHFFFAOYSA-N 447.207 4.437 5 20 IIBD CCCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@@H](c1ccc(F)cc1)c1cccnc1 489391056 VKODNMDDOLRMPK-NRFANRHFSA-N 437.427 4.499 5 20 IIBD Cc1c(NC(=O)CCN2CCC[C@H](c3nc4c(s3)CCCC4)C2)cccc1[N+](=O)[O-] 490017126 MBTGLNDDKVDAGG-INIZCTEOSA-N 428.558 4.447 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](c2nc3c(s2)CCCC3)C1 490025636 IEFYTPFFZYBNDA-HNNXBMFYSA-N 444.557 4.147 5 20 IIBD Cc1cc(CN(CC(C)C)C(=O)c2ccc([N+](=O)[O-])cc2F)nc(N2CCCCC2)n1 490181025 CTQWPDAIYOFZGL-UHFFFAOYSA-N 429.496 4.121 5 20 IIBD COC(=O)COc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c2cccnc12 490743099 MJBZQZKAZQEOJI-UHFFFAOYSA-N 437.433 4.162 5 20 IIBD Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NCCNc3ccccc3[N+](=O)[O-])c12 491835662 RIRCSHDBXMKKKS-UHFFFAOYSA-N 436.516 4.122 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CC[C@H]2[C@H](CCCN2C2CC2)C1 494102936 FBFHMZXEUAHAFO-DVECYGJZSA-N 434.540 4.296 5 20 IIBD COc1ccc(CNC(=O)N[C@@H]2CSc3ccc(Br)cc32)cc1[N+](=O)[O-] 494368013 OLRCDMAFYFNISL-CYBMUJFWSA-N 438.303 4.012 5 20 IIBD CC[C@@H](OC1CCCC1)C(=O)N(CCOC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 497549953 HUZFPPSCTIHVFY-LJQANCHMSA-N 433.530 4.436 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1 498410098 PXQPTNASZSXHBL-UHFFFAOYSA-N 432.502 4.112 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(Cc1ccncc1)Cc1cccnc1 498549033 QCCRCWKGEJDTQQ-OAHLLOKOSA-N 426.860 4.035 5 20 IIBD CCOc1cc(/C=C/c2ccncn2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 500380786 MEXZECXMYONTQU-HWKANZROSA-N 435.436 4.399 5 20 IIBD CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 501736925 SSJDPOKNAFQVHA-OAHLLOKOSA-N 425.514 4.384 5 20 IIBD C[C@@H](Sc1ccc(S(C)(=O)=O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 504356040 RLYOOSFITDBOMI-SNVBAGLBSA-N 448.444 4.136 5 20 IIBD O=C(NCCc1cc(C(F)(F)F)ccn1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 506829197 XEPVESDPUMCKPL-UHFFFAOYSA-N 447.363 4.346 5 20 IIBD O=C(Cc1ccc(OCc2ccccn2)cc1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 507544163 WZNXQRYUDQWPCJ-UHFFFAOYSA-N 429.379 4.351 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C1CCN(c2ccc3cccc(O)c3n2)CC1 508923959 PGCRLRFCLOLNPH-UHFFFAOYSA-N 448.523 4.204 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1 509115345 ZWXDCZAMCVAZNR-UHFFFAOYSA-N 442.459 4.398 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)cc1[N+](=O)[O-] 509671161 NWEGLSGWZIWVOA-UHFFFAOYSA-N 430.549 4.129 5 20 IIBD C[C@@H]1C[C@@H](N2CCCC2)CN1[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 512153883 VWPBHGVCIYGXJJ-ZWDAVXSWSA-N 442.947 4.487 5 20 IIBD O=C(c1cc2ccccc2[nH]1)N1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 512736957 XHZFPHIFWUNXAA-UHFFFAOYSA-N 430.464 4.294 5 20 IIBD CCc1cc(N2CCC[C@@H](C(=O)Nc3ccccc3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 515582980 VSYBASZGOKVYEN-GOSISDBHSA-N 431.496 4.469 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)c1cccc(C(C)C)c1 518678788 YGBWYNVURBSAEB-HXUWFJFHSA-N 429.542 4.233 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 519034123 QXXIODZXPQZMPQ-OAHLLOKOSA-N 435.484 4.437 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(CN2CCCC2)c1 520121762 IZOBLVURRZSGPG-UHFFFAOYSA-N 436.434 4.051 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 520245389 ITRGHNYNWQJTEA-JKSUJKDBSA-N 438.450 4.322 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1nc(-c2cccc(Cl)c2)no1 522296497 TTYSMOFKBYVFET-UHFFFAOYSA-N 443.891 4.461 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)cc1[N+](=O)[O-] 522573422 SYVWVMDVRXANMC-UHFFFAOYSA-N 438.465 4.027 5 20 IIBD C[C@H]1CN(c2ccccc2NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)O1 522639915 JEENXCMXGBEFNJ-GASCZTMLSA-N 433.892 4.269 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1 522849987 RIPNPVMDKFUZBZ-OAHLLOKOSA-N 446.558 4.382 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(-c2ccc(Cl)cc2)nn1CCO 524175313 CEVPSFUNCUZYTE-ZDUSSCGKSA-N 446.916 4.223 5 20 IIBD COc1ccccc1-c1ccc([C@H](C)NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)cc1 525075553 GEGGHQQPVPDRMK-INIZCTEOSA-N 443.463 4.342 5 20 IIBD CN(Cc1ccc([S@@](C)=O)cc1)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 531389282 QSJFAANGHVIDAZ-WJOKGBTCSA-N 437.521 4.217 5 20 IIBD C[C@H](NC[C@]1(N2CCOCC2)CCSC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 531695225 QAFIDXVWKLUMJM-HRAATJIYSA-N 433.599 4.182 5 20 IIBD COc1ccc(NC(=O)CN2CCC[C@H](c3nc4ccccc4s3)C2)c([N+](=O)[O-])c1 532624892 DVUCAFFUDFTCPL-AWEZNQCLSA-N 426.498 4.031 5 20 IIBD O=c1ccc([N+](=O)[O-])cn1CCSc1ncnc2scc(-c3ccc(F)cc3)c12 534198147 PGSFHLBXWKSPLL-UHFFFAOYSA-N 428.470 4.360 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCC2)c2c(F)cccc21 534215037 SRRYHOHKWVPYSI-UHFFFAOYSA-N 444.484 4.471 5 20 IIBD Cc1ncc(-c2ccccc2)cc1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 534811606 SYJGDGYZSSURAJ-UHFFFAOYSA-N 446.492 4.497 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)c1ccc(F)cc1 536472589 ONZORHLNSJNIDB-UHFFFAOYSA-N 434.489 4.097 5 20 IIBD CC[C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])Oc1cccc(C(F)(F)F)c1 537639693 GEJOZUNDGPZDBH-LLVKDONJSA-N 438.449 4.348 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(COc3ccccc3)cc2)cc1[N+](=O)[O-] 538100069 KMDXEPBDHORRGZ-QGZVFWFLSA-N 433.464 4.298 5 20 IIBD Cn1cnc([N+](=O)[O-])c1CN[C@@](C)(Cc1cccc(Br)c1)c1ccccc1 539345192 CEDJBCAFTQXRSZ-FQEVSTJZSA-N 429.318 4.339 5 20 IIBD O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1 541282961 RAZANOISTBHPRP-XLIONFOSSA-N 442.903 4.215 5 20 IIBD CCC(C)(C)OCc1ccccc1NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 541632354 BTWPDNNPYQSGBY-UHFFFAOYSA-N 431.514 4.130 5 20 IIBD COc1ccc(-c2nc(C)c([C@@H](C)NC[C@@H](O)COc3cccc([N+](=O)[O-])c3)s2)cc1 541646560 QSAYXQWNELDXEK-RDTXWAMCSA-N 443.525 4.126 5 20 IIBD Cc1c(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)nnn1-c1cccc2cccnc12 541997217 XSTHQMYMFRWCTP-UHFFFAOYSA-N 442.357 4.303 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 543852192 KQVZRGXCIUXNOB-KRWDZBQOSA-N 425.363 4.228 5 20 IIBD O=[N+]([O-])c1ccc(-n2cc(-c3nc(Cc4nc5ccccc5n4C(F)F)no3)cn2)cc1 547027901 KVTLMHZIDCKGHA-UHFFFAOYSA-N 437.366 4.166 5 20 IIBD COc1cc(Cc2noc(COc3ccccc3[N+](=O)[O-])n2)ccc1OCC(F)(F)F 547054594 XYMXSMWXZWEQJR-UHFFFAOYSA-N 439.346 4.097 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(=O)N3CCCCC3)ccc2OCC)c1 549244591 IZBPYMZFTMXEPK-UHFFFAOYSA-N 441.484 4.271 5 20 IIBD CCS(=O)(=O)c1ccc(-c2noc(-c3ccc4[nH]c5ccccc5c(=O)c4c3)n2)cc1 554826122 WQABYRUJMSRLPI-UHFFFAOYSA-N 431.473 4.192 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNc2ccc(C(F)(F)F)nn2)cc1 555145693 MSQJCYNPYFAVSU-UHFFFAOYSA-N 440.385 4.868 5 20 IIBD CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 559502591 ZUPIZJTWPBYNNI-UHFFFAOYSA-N 428.189 4.155 5 20 IIBD Cn1ccnc1[C@@H](NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1ccc([N+](=O)[O-])cc1 560514698 QWTQIDQIGMYPEX-VXKWHMMOSA-N 439.947 4.498 5 20 IIBD O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1SCc1cn2ccccc2n1 560616489 ZAXQYLAOKKXKGM-UHFFFAOYSA-N 444.476 4.663 5 20 IIBD COc1ccc(COc2ccc(-c3noc(COc4cccc([N+](=O)[O-])c4)n3)cn2)cc1 563658719 VHDCQXWFUXYHOL-UHFFFAOYSA-N 434.408 4.206 5 20 IIBD CC[C@H](C)Oc1cccc(NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c1 563901585 CQQHJIYBZIQBIT-NSHDSACASA-N 436.262 4.112 5 20 IIBD Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 565637669 PWVNIRIVONFRMS-UHFFFAOYSA-N 427.411 4.470 5 20 IIBD COc1cc(Cc2noc(CCn3c(C4CC4)nc4ccccc43)n2)c([N+](=O)[O-])c(OC)c1 566600365 JVZFLFYFNRZZBT-UHFFFAOYSA-N 449.467 4.056 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)NCCc1ccc(Br)cc1Cl 567268756 DPRKHWKIWPOWGV-UHFFFAOYSA-N 427.682 4.382 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](CCO)c2ccc(Cl)c(Cl)c2)c1 567497549 BTLCDMOLKLJZTJ-MRXNPFEDSA-N 427.284 4.219 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(Cc2cnc3ccccc3n2)no1 569272864 IIYMFONXBPTKBC-UHFFFAOYSA-N 426.230 4.250 5 20 IIBD COc1cc(OC)cc(C2(F)CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)c1 569944582 NZPKTUAKPCPWSV-UHFFFAOYSA-N 445.491 4.210 5 20 IIBD C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N(C)Cc1cc(C(C)(C)C)n[nH]1 570637015 IILZDJXIAUMZPJ-ZDUSSCGKSA-N 442.545 4.198 5 20 IIBD CN(C)CCOc1ccc(-c2noc(-c3ccc4[nH]c5ccccc5c(=O)c4c3)n2)cc1 574843786 WFPDPTIIYUNMPS-UHFFFAOYSA-N 426.476 4.339 5 20 IIBD CCSc1cccc(Br)c1NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 576559123 RFERCOSPIIVAOV-UHFFFAOYSA-N 447.332 4.279 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(Cc1ncc(-c3ccccc3Br)o1)CCO2 577564022 NTGXDWVGCFHZLK-UHFFFAOYSA-N 430.258 4.407 5 20 IIBD O=C(NC[C@]1(CO)C[C@H]1c1ccccc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 578750819 XETKWNOQHAUJIZ-OFVILXPXSA-N 431.492 4.103 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 583286836 IAYYQNUDYOKFBE-FGTMMUONSA-N 431.286 4.002 5 20 IIBD C[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccc(OCc2cccnc2)cc1 603741470 GHKCMLRZHDAKCE-KRWDZBQOSA-N 443.463 4.246 5 20 IIBD O=[N+]([O-])c1ccc(NCc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)c(Cl)c1 603871015 LOPDAERBGKIOFQ-UHFFFAOYSA-N 449.891 4.478 5 20 IIBD CCC(=O)Nc1cccc(CNC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1 603920134 BHEQLQRJDPFISJ-CALCHBBNSA-N 438.528 4.356 5 20 IIBD O=C(CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)Nc1ccccc1 604180390 RNBWLCCZKDSGLR-UHFFFAOYSA-N 438.871 4.229 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 604466736 ZGAGETMMDPEXPD-ZIAGYGMSSA-N 438.311 4.312 5 20 IIBD Cc1ccc(CNC(=O)c2ccc(C(=O)NCc3ccc(C)s3)c([N+](=O)[O-])c2)s1 609044479 IOBFEJMIJHMHPA-UHFFFAOYSA-N 429.523 4.195 5 20 IIBD O=C(Cc1csc(Cc2ccc(F)cc2)n1)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 609455960 QWLYBDNXULLWPX-UHFFFAOYSA-N 437.456 4.148 5 20 IIBD COCCN(C(=O)CCCc1ccccn1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 609579452 QGGJDUSUJAKJFX-UHFFFAOYSA-N 426.498 4.116 5 20 IIBD O=C(CCN1C(=O)COc2ccccc21)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609761319 BHVIRSDZLRNFRA-UHFFFAOYSA-N 433.420 4.141 5 20 IIBD CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 609772911 JKHJBNIIJCWXBD-JKSUJKDBSA-N 426.473 4.156 5 20 IIBD CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl 609787527 DSHSBTAQDMLGOX-UHFFFAOYSA-N 443.853 4.400 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)s1 609831223 KPKHIFFDJJMOSI-UHFFFAOYSA-N 430.467 4.211 5 20 IIBD O=C(NCCc1cccc(F)c1F)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 609859511 DTWGGXSWROFSBO-UHFFFAOYSA-N 441.221 4.338 5 20 IIBD CC(C)N1CCN(C2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)CC2)CC1 611276149 SANCDOZLYPEIDA-UHFFFAOYSA-N 446.979 4.499 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CCn2c(cc3ccc(Cl)cc32)C1 618521109 PPNIHBBIDYSZBC-UHFFFAOYSA-N 436.855 4.172 5 20 IIBD CC(C)(C)OC(=O)N1CCC(N(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 725717892 DZQGUPHQXQYOLV-UHFFFAOYSA-N 446.548 4.177 5 20 IIBD C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1c(Cl)cccc1Cl 726155659 NVLZNCWXFSBSPK-CYBMUJFWSA-N 438.311 4.272 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)OCc2csc(C(C)(C)C)n2)ccc1[N+](=O)[O-] 726674687 MMPORSJZLJVKRU-KRWDZBQOSA-N 431.514 4.005 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N[C@@H](c1ccccc1)c1cccnc1 728569453 UBYGCVQARZQIAE-SFHVURJKSA-N 437.399 4.485 5 20 IIBD O=C(CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)NC[C@@H]1CCS(=O)(=O)C1 729262784 QSQGVEUTIWUSID-INIZCTEOSA-N 433.529 4.098 5 20 IIBD C[C@@H](OC(=O)c1cnc(C2CC2)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 729771324 JVUYXBZEJJFEKS-MRVPVSSYSA-N 429.376 4.132 5 20 IIBD CC(C)(C)OC(=O)NCc1cccc(OC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1 730200834 XPFNWOAEKCQQTH-UHFFFAOYSA-N 438.440 4.024 5 20 IIBD Cc1ccc([C@@H](CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])N2CCCC2)cc1 732003838 LNHGLCOGVHKKNN-LJQANCHMSA-N 439.484 4.149 5 20 IIBD CN(CCn1cccn1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 732018087 QOCFEZFLVXGNBM-UHFFFAOYSA-N 447.539 4.023 5 20 IIBD CC(C)OC(=O)NCc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 735065371 DERTUBAJPRLOQW-UHFFFAOYSA-N 426.473 4.082 5 20 IIBD O=C(COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)Nc1ccc(OC(F)F)c(Cl)c1 736867485 WLYYEJCCYLHUEA-UHFFFAOYSA-N 435.166 4.299 5 20 IIBD C[C@@H](OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCCCC2)cc1 736875100 KFYWKFFZYZJGCD-CQSZACIVSA-N 431.876 4.423 5 20 IIBD CN1C(=O)CC[C@H](COC(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(C(F)(F)F)cc1 737378475 XVHWUPAAQPPTDQ-DNVCBOLYSA-N 436.386 4.380 5 20 IIBD CCc1ccc([C@H]2CCCCCN2C(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)o1 739611218 BVFJOLXSQDCXEN-HNAYVOBHSA-N 443.475 4.386 5 20 IIBD O=C(CCn1cc([N+](=O)[O-])cn1)O[C@H](c1ccccc1)c1cccc(Br)c1 741115028 ABSDCVDRXRPUMW-LJQANCHMSA-N 430.258 4.277 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@H](C)Oc3ccc(SC)cc3)CC2)ccc1[N+](=O)[O-] 741123354 MHUVEKLVQBDPEM-HNNXBMFYSA-N 446.525 4.305 5 20 IIBD Cc1nc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)sc1C 741819470 HHHZCDDOFMCFTG-AWEZNQCLSA-N 446.529 4.088 5 20 IIBD CCOC(=O)c1nc(-c2ccccc2)oc1COC(=O)c1cc([N+](=O)[O-])ccc1Cl 744480342 WXIXFCKALDBXFC-UHFFFAOYSA-N 430.800 4.437 5 20 IIBD Cc1ccc(OCc2nc(COC(=O)CN(C)c3ccccc3[N+](=O)[O-])cs2)cc1 745614874 PUEUJJXSIAZPNF-UHFFFAOYSA-N 427.482 4.118 5 20 IIBD O=C(COC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1)Nc1cc(Cl)ccc1[N+](=O)[O-] 745741504 CWMBYAATUQMJJR-OAHLLOKOSA-N 447.658 4.160 5 20 IIBD COc1c([N+](=O)[O-])cc(NCc2ccn(-c3ccccc3)n2)c([N+](=O)[O-])c1Br 747804232 UVZKQKCBUJBICO-UHFFFAOYSA-N 448.233 4.072 5 20 IIBD C[C@@H]1Cc2ccccc2N1C1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 747805259 YSKNNOJSRYDEKJ-GOSISDBHSA-N 434.540 4.251 5 20 IIBD CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] 748801785 ZAZFPZJGAVAYFV-UHFFFAOYSA-N 447.438 4.491 5 20 IIBD O=C(NCCc1cnn(-c2ccccc2)c1)c1cc(Br)cc([N+](=O)[O-])c1Cl 749409291 ACEXGVJPFGIKSP-UHFFFAOYSA-N 449.692 4.169 5 20 IIBD C[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)N(C)Cc1ccccc1 750879444 TVBLPZXKOZLUSO-GFCCVEGCSA-N 440.725 4.261 5 20 IIBD NC(=O)c1ccc(CC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2OCc2ccccc2)cc1 754531403 PJEBUWBPPACZDQ-UHFFFAOYSA-N 439.855 4.107 5 20 IIBD O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 755315629 IFVAVZLPILHPLB-FQEVSTJZSA-N 447.601 4.250 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N(Cc1ccccc1)C[C@@H](O)c1cccs1 755765854 ZLVCWUZPXJGNQA-HXUWFJFHSA-N 449.488 4.286 5 20 IIBD CC(C)(C)OC(=O)NC(C)(C)c1noc(COc2ccc([N+](=O)[O-])c3ccccc23)n1 756953954 OJCRRIZQXDSCKC-UHFFFAOYSA-N 428.445 4.470 5 20 IIBD CC[C@H](C)n1ncc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1C1CC1 760625192 GKHAUKKJIPETRD-RYUDHWBXSA-N 434.880 4.477 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)OCC(=O)c2cc(C)c(F)cc2Cl)cc1OC 761034903 SYZWTJRMKRCOSU-UHFFFAOYSA-N 425.796 4.143 5 20 IIBD O=[N+]([O-])c1ccc(Oc2ccc(-c3noc(CCS(=O)(=O)C4CCCC4)n3)cc2)cc1 761858725 OEFQHVYJENNHCH-UHFFFAOYSA-N 443.481 4.337 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2cccc(N3CCOC3=O)c2)no1 762197232 ZCRBOPYCIOXBKX-LLVKDONJSA-N 430.804 4.395 5 20 IIBD C[C@@H](OC(=O)C1Cc2ccccc2C1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 763394219 ZTHJJYRUPONMHS-CYBMUJFWSA-N 437.477 4.004 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 763809965 FQQNMUBKKXMEBE-UHFFFAOYSA-N 430.398 4.022 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](O)c1cc2ccccc2s1 764583123 CFDMXQJNRDXIQC-INIZCTEOSA-N 432.523 4.011 5 20 IIBD O=C(OCc1ccc(OCc2ccncc2)cc1)c1cc(Br)ncc1[N+](=O)[O-] 769832646 LYVMWDGNORBOTC-UHFFFAOYSA-N 444.241 4.083 5 20 IIBD COc1c([N+](=O)[O-])cc(N[C@@H](C)C[C@H](O)c2ccccc2)c([N+](=O)[O-])c1Br 771929361 XVVDGNWIINZINN-HZMBPMFUSA-N 440.250 4.198 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cnn(-c3ccc(Br)cc3)c1C)CC2 773988457 BNGZHOWRIIQCHR-UHFFFAOYSA-N 441.285 4.363 5 20 IIBD O=C(NCC1CC1)c1cc(Cl)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 779354644 KDDVBXZZMDDOAA-UHFFFAOYSA-N 439.802 4.242 5 20 IIBD C[C@H](NC(=O)NCc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2)c1cccc([N+](=O)[O-])c1 780311653 FDRDTDFIRUITCR-HNNXBMFYSA-N 440.500 4.406 5 20 IIBD O=C(Nc1ccc(CN2CCOC2=O)cc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 780408932 PNQPCMYEAZFVGK-UHFFFAOYSA-N 449.413 4.164 5 20 IIBD C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 780990937 VDUDKJYYEIHYBN-JKSUJKDBSA-N 435.524 4.151 5 20 IIBD Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 781267413 HNPBUANBWIXPEF-SJORKVTESA-N 428.488 4.412 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3cc(NC(C)=O)ccc3C)CC2)ccc1[N+](=O)[O-] 781492068 YEGWZEMKCQNFHO-UHFFFAOYSA-N 441.484 4.086 5 20 IIBD Cn1cc(-c2ccc(F)c(C(=O)OCc3ccc([N+](=O)[O-])cc3Br)c2)cn1 782305730 SIHPUDVGZIOBDD-UHFFFAOYSA-N 434.221 4.254 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccc(C(=O)NCc2ccccc2)cc1 790540900 IYZWUIVQPLTSFV-UHFFFAOYSA-N 441.846 4.499 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 790568763 QTVXTYCVFFEKKC-LBPRGKRZSA-N 445.800 4.344 5 20 IIBD CCNc1cc(C)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1I 790976560 RLXYZYMBLNCCIL-UHFFFAOYSA-N 425.226 4.192 5 20 IIBD Cc1cc(NC(=O)c2ccco2)sc1C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 791672779 ZYIWUUFVACHMEO-UHFFFAOYSA-N 431.382 4.075 5 20 IIBD COc1ccc(-c2ccc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)nc2)cc1Cl 795645049 KHOXRTFXANOPAO-UHFFFAOYSA-N 425.875 4.181 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)OCc2csc(CC(=O)Nc3ccccc3)n2)c1F 803457875 VQYJKXQEANKWQW-UHFFFAOYSA-N 429.429 4.037 5 20 IIBD CC(=O)N[C@H](CC(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(C)cc1 811216388 IVBUUDXDFOCKQE-HXUWFJFHSA-N 439.493 4.337 5 20 IIBD Cc1noc(-c2cc(Cl)ccc2OS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])n1 815036644 OBDMKOUZHJVWSC-UHFFFAOYSA-N 448.215 4.167 5 20 IIBD COc1cccc(Cc2cnc(NC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)s2)c1 818081797 GRYLFLQSIRAQQO-UHFFFAOYSA-N 428.426 4.120 5 20 IIBD COc1ccc(CN(C)C(=O)[C@H](C)Sc2nc3ccc([N+](=O)[O-])cc3s2)cc1F 827007001 XRIPHKBWYBSTTM-NSHDSACASA-N 435.502 4.491 5 20 IIBD COc1ccc(OC(=O)Cn2c(COc3ccccc3)nc3ccccc32)c([N+](=O)[O-])c1 899464131 PPFQUILTZPCLAB-UHFFFAOYSA-N 433.420 4.138 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl 913419089 MOFWSAQUKPDZBX-UHFFFAOYSA-N 439.921 4.146 5 20 IIBD COC(=O)c1oc2ccccc2c1COC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 914617389 WQSMDRAASUGDJH-UHFFFAOYSA-N 438.436 4.087 5 20 IIBD Cc1c(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cnn1-c1cccc(Cl)c1 914669829 XWQUVPFPICIYJZ-LBPRGKRZSA-N 446.822 4.065 5 20 IIBD Cc1cc(C)c(OC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)c([N+](=O)[O-])c1 915140028 AIJOJQSGFJHBOC-UHFFFAOYSA-N 431.495 4.059 5 20 IIBD Cn1c(SCCc2ccc([N+](=O)[O-])cc2)nnc1SCCc1ccc([N+](=O)[O-])cc1 915795067 OEBGHZPJEKCDIJ-UHFFFAOYSA-N 445.526 4.301 5 20 IIBD Cc1c(C(=O)N(C)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc2cccc(F)c12 916991476 RHHRQMJVZLTXPO-UHFFFAOYSA-N 442.877 4.371 5 20 IIBD CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2ccc(-c3ccccc3)o2)NC(=S)N1 917878860 JJZGAHOEIZCQBA-HXUWFJFHSA-N 434.477 4.286 5 20 IIBD Cc1nn(Cc2ccccc2)c(Cl)c1COC(=O)CCOc1cccc([N+](=O)[O-])c1 919114612 HASNKSWQUJMTBH-UHFFFAOYSA-N 429.860 4.314 5 20 IIBD C[C@@H](OC(=O)c1ccc(N(C)c2ccccc2)nc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 919209395 DTHZGQLKBCPWHC-CQSZACIVSA-N 438.415 4.081 5 20 IIBD COc1ccc(-c2cc(NC(=O)COc3ccc([N+](=O)[O-])c(OC)c3)ccc2OC)cc1 1115901216 QRBZPOIFOAOYSV-UHFFFAOYSA-N 438.436 4.305 5 20 IIBD CC(=O)NCc1ccc(-c2csc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)n2)cc1 1318645993 AXDMETJTEWYAPS-UHFFFAOYSA-N 438.509 4.271 5 20 IIBD COc1cc(NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)ccc1NC(=O)OC(C)(C)C 1318811288 GIHALYPICDYGAP-UHFFFAOYSA-N 428.445 4.498 5 20 IIBD CCOc1cc([N+](=O)[O-])c(-c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)o2)cc1OC 1322613109 YZQWWHQKMYQGRD-UHFFFAOYSA-N 448.476 4.167 5 20 IIBD C[C@@H](C(=O)Nc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1)c1cccc([N+](=O)[O-])c1 1339078142 UNESCHVYIBEACW-SSDOTTSWSA-N 443.325 4.106 5 20 IIBD COCCn1c(-c2oc3ccccc3c2C)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1340439484 IDAFJHCAZRJHLT-UHFFFAOYSA-N 433.468 4.117 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(I)c1C 1344339673 YIIPUTHPCPIBHU-UHFFFAOYSA-N 426.210 4.159 5 20 IIBD COc1cc(C(=O)NC2(c3ccc(NC(=O)CC(C)C)cc3)CCC2)ccc1[N+](=O)[O-] 1787665225 ZTLAQKJEUUNLQF-UHFFFAOYSA-N 425.485 4.397 5 20 IIBD CC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CSc2ccccc2[N+](=O)[O-])C3)CCCCC1 1802218246 WGLLFOXLVMVPEN-BCDXTJNWSA-N 445.585 4.296 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccc(Cl)s1 1804341293 ZVFNYIOQZRDUIY-YODORZIASA-N 445.928 4.275 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@H]2CCCCN2C(=O)c2c(F)cccc2F)CC1 1829887041 VORPLWWKQVLMPU-QGZVFWFLSA-N 447.438 4.013 5 20 IIBD Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)c1 1829997469 IWYVRJYTCKKNLK-DEOSSOPVSA-N 449.551 4.379 5 20 IIBD Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC12CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C2 1842453634 QWIWJBWDHLUTCW-UHFFFAOYSA-N 443.475 4.064 5 20 IIBD CCC[C@H]1CC[C@H](C(=O)N2CCCC23CN(C(=O)c2c(F)ccc([N+](=O)[O-])c2C)C3)CC1 1846077545 QMQRQQWMMXQGIL-IYARVYRRSA-N 445.535 4.466 5 20 IIBD Cc1cc(C(=O)COC(=O)CSc2ccc([N+](=O)[O-])cc2)c(C)n1CC(F)(F)F 9352668 ISIICAYDUIMBIY-UHFFFAOYSA-N 430.404 4.094 5 20 IIBD O=C(COC(=O)Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc2ccccc2c1 11276060 OZWYGLQSEVUCGF-UHFFFAOYSA-N 436.467 4.490 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cnn(-c3ccccc3)c2)cc1)c1cccc([N+](=O)[O-])c1 15604679 MAAKXFIYOPJFQL-UHFFFAOYSA-N 428.404 4.252 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)cc1[N+](=O)[O-] 16016779 GSTYRSORWZPSQV-UHFFFAOYSA-N 431.514 4.109 5 20 IIBD Cc1nc(-c2ccccc2)ccc1C(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 16166267 KYRKQBNPHIXHBX-UHFFFAOYSA-N 425.828 4.414 5 20 IIBD Cc1nc(-c2cccc(Cl)c2)sc1C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 17955965 HLAPLWZIBFEAIO-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD C[C@@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)NCCc1ccc(F)cc1 22253907 OAOJSBOESNSZJN-OAHLLOKOSA-N 435.524 4.065 5 20 IIBD CSc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(Br)c([N+](=O)[O-])c1 22720718 AIGFNCRYHFXEBQ-SNVBAGLBSA-N 439.287 4.263 5 20 IIBD Cc1ccc(-n2nc(C)c(NC(=O)COC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2C)cc1 23950675 IWRNYDFYBSKMJW-UHFFFAOYSA-N 442.859 4.155 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccc(Cl)cc2)cs1 29264935 PQGOJCLECKVSNZ-UHFFFAOYSA-N 430.873 4.130 5 20 IIBD Cc1ncc2c(n1)CC[C@H](NC(=O)c1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)C2 30389537 AIYCTHZIVDQTEV-KRWDZBQOSA-N 438.871 4.426 5 20 IIBD O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 64869602 MXQLJOBWCJUADR-UHFFFAOYSA-N 444.900 4.461 5 20 IIBD CNC(=O)c1ccc(Sc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)c([N+](=O)[O-])c1 64905357 JZDIFBFLKROTNL-UHFFFAOYSA-N 425.514 4.199 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1[N+](=O)[O-])c1ccccn1 65044055 DDTHGJZITCEKHS-OAHLLOKOSA-N 445.479 4.307 5 20 IIBD O=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 65104153 TWVIIHXKNQHOMF-UHFFFAOYSA-N 428.452 4.233 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(C(=O)NC2CCCCC2)cc1C 108432192 QNBRBAAYTJHCTG-UHFFFAOYSA-N 440.500 4.025 5 20 IIBD COc1ccc([C@@H](NCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c2ccc(F)cc2)cc1 109096446 SBVUWLWFYNMLAC-QHCPKHFHSA-N 439.443 4.069 5 20 IIBD O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3csc(COc4ccc(Cl)cc4)n3)C2)nc1 237722970 QAZHTYXNTLDVOD-OAHLLOKOSA-N 445.932 4.365 5 20 IIBD C[C@H](c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 301464381 PGNRSALCHHWASZ-OAHLLOKOSA-N 430.892 4.088 5 20 IIBD CC(C)NC(=O)c1ccc(N2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)c([N+](=O)[O-])c1 301711268 KMOZUPZULNVHSZ-FCHUYYIVSA-N 436.556 4.224 5 20 IIBD CC[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccccc1OCC(=O)N1CCCC1 409678441 MRRGLHUULGKKLN-IBGZPJMESA-N 440.500 4.177 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)c(Br)c1 409927279 ZYAFOUNQIOPMNO-HZPDHXFCSA-N 449.326 4.366 5 20 IIBD O=C(CCN1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1)Nc1ccccc1[N+](=O)[O-] 410034889 RSXCGZARPQUHJH-UHFFFAOYSA-N 448.882 4.067 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 431156792 OJTPXEXOVBMREP-UHFFFAOYSA-N 447.557 4.061 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2C[C@H](c3ccccc3)C(C)(C)C2)ccc1[N+](=O)[O-] 434245969 OQSJJPWKAWBSSP-IRLDBZIGSA-N 435.524 4.160 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(=O)N1CCc2ccccc21 434416154 NLNJMLUHSFFXOK-UHFFFAOYSA-N 425.491 4.335 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(OCc2ccccc2)cc1C 440591416 QAPJAOGCKZSIIS-UHFFFAOYSA-N 435.436 4.068 5 20 IIBD COc1ccc(NC(=O)C(=O)N(Cc2ccccc2)[C@@H]2CCCC2(C)C)cc1[N+](=O)[O-] 442016091 XRGMLHANFMDHEN-HXUWFJFHSA-N 425.485 4.149 5 20 IIBD COc1cc(/C=C\c2nc(-c3c([N+](=O)[O-])nc(C)n3C)no2)cc(Cl)c1OC(C)C 445606712 FNUHJAUVAVOYKA-SREVYHEPSA-N 433.852 4.306 5 20 IIBD C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccccc1OC(F)F 445715817 JAKJTKNJUOLOJX-SNVBAGLBSA-N 429.217 4.379 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCC4(CCN(C)C4=O)CC3)cc2[N+](=O)[O-])cc1 446514783 JJJUBEKKESZWNQ-UHFFFAOYSA-N 439.537 4.139 5 20 IIBD C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 447092353 YZJYJCMOYJITKJ-MDWZMJQESA-N 428.432 4.210 5 20 IIBD CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCc2c(F)cc(F)cc2C1 460692181 KWEPUAQWXYFAKH-UHFFFAOYSA-N 443.454 4.121 5 20 IIBD CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCCC[C@H]1C(F)(F)F 463449455 PKFJXOJLCDQMRK-RISCZKNCSA-N 438.244 4.349 5 20 IIBD Cc1ccc(NCCCNC(=O)c2c[nH]nc2-c2cccc(OC(F)F)c2)c([N+](=O)[O-])c1 464080519 YWPUPCAMOBCHRC-UHFFFAOYSA-N 445.426 4.127 5 20 IIBD Cc1cccc(C)c1OC[C@H](C)NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465761522 YDMQFPWPRFSPTK-SFHVURJKSA-N 427.501 4.232 5 20 IIBD Cc1ccc(-n2nc(N[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2C)cc1 466758324 YPTARJAAJVINGG-CQSZACIVSA-N 447.417 4.855 5 20 IIBD COc1ccccc1-c1csc([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])n3C)C2)n1 470429207 OTEFQEBAKUFWQX-AWEZNQCLSA-N 426.498 4.085 5 20 IIBD Cc1ccc([C@H]2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)C2)c(C)c1 471337867 SKQBSPKPOWGVDU-REWPJTCUSA-N 435.524 4.141 5 20 IIBD Cc1c(COc2ccccc2)cccc1NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 472372934 HOYDCLMSWRFRJM-QGZVFWFLSA-N 433.464 4.239 5 20 IIBD C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 475195837 IEUMPNOESWUMFS-GFCCVEGCSA-N 434.378 4.419 5 20 IIBD COc1cc(OCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)ccc1[N+](=O)[O-] 475876002 WANUILVRJLZKGN-MRXNPFEDSA-N 427.438 4.015 5 20 IIBD Cc1nc(C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)nn1-c1ccc(F)cc1 478132276 MUUIQINPZGSCAP-UHFFFAOYSA-N 445.410 4.106 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H](C)[C@@H](OC)c2ccccc2Cl)cc1[N+](=O)[O-] 479696581 UTCMOFOKIYAEDZ-RNODOKPDSA-N 438.933 4.382 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]1c1nc2ccccc2n1C(C)C 481453809 WWVVZQZNEAOZJV-LJQANCHMSA-N 428.514 4.360 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(Br)cc3cccnc23)c(C)c([N+](=O)[O-])c1 485952655 DXINBXKZMFPXSA-UHFFFAOYSA-N 444.241 4.253 5 20 IIBD O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1sc(Br)cc1[N+](=O)[O-] 486137951 OGVJWBPCEAMOTA-YPMHNXCESA-N 429.267 4.208 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCCc2coc(-c3ccc(C)cc3)n2)cc1SC 486650987 LKTOPFCOFUVFSL-UHFFFAOYSA-N 427.482 4.261 5 20 IIBD Cc1ccc([C@H](C)NC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)cc1[N+](=O)[O-] 488070497 PJUHZRLZBXCSKC-YUNKPMOVSA-N 431.901 4.363 5 20 IIBD C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 488509451 DHAYWWJGLOWVGW-LPHOPBHVSA-N 431.920 4.044 5 20 IIBD O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)c1cc2c(c([N+](=O)[O-])c1)OCO2 489026410 HYANJYPJQUTLSH-UHFFFAOYSA-N 435.223 4.127 5 20 IIBD C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 489516845 UFAWWIANVUHIQE-WMLDXEAASA-N 434.443 4.228 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 490418180 NMAUYVNZEJFESC-SUMWQHHRSA-N 444.431 4.073 5 20 IIBD CCOc1cc(CN[C@@H](C)c2cc(F)ccc2N2CCN(CC)CC2)ccc1[N+](=O)[O-] 492776634 VJYSYXZTLPTNCO-KRWDZBQOSA-N 430.524 4.125 5 20 IIBD CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 493958498 RROWJXSYMGYZNR-KRWDZBQOSA-N 438.528 4.353 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c(C)cc1Br 494346199 GXANIMAYGGNOJS-UHFFFAOYSA-N 448.273 4.043 5 20 IIBD CCOc1cc(C(=O)N(C)Cc2ccc(Br)c(F)c2)c([N+](=O)[O-])cc1OC 494867131 YTAYBZKHMGSWGS-UHFFFAOYSA-N 441.253 4.176 5 20 IIBD Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 497513739 SDAZTZZSDHZETA-SXGZJXTBSA-N 425.533 4.394 5 20 IIBD Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 498444828 ZWZHKKGIMRERLT-CQSZACIVSA-N 431.876 4.199 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@@H](CCCO)c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 501934763 XUYGZIUKKHLVAA-UWJYYQICSA-N 434.496 4.407 5 20 IIBD C[C@H](NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccnc(O)c1 502207829 NGEUMJPHFKTYBM-ZDUSSCGKSA-N 426.860 4.452 5 20 IIBD COc1ccc(CSCC(=O)N(Cc2ccc(O)cc2)Cc2ccco2)cc1[N+](=O)[O-] 502514742 GBINVGGFTYWSQO-UHFFFAOYSA-N 442.493 4.364 5 20 IIBD Cc1sc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)nc1-c1c[nH]c2ncccc12 503897923 QVXHKRYYFXXXDC-UHFFFAOYSA-N 445.464 4.341 5 20 IIBD CC(C)N(C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 505084413 XWNKDJFVUSSGKQ-UHFFFAOYSA-N 431.297 4.360 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C(=O)Nc2ccccc2)C1 512864464 IGLDQYQRLHTMLC-INIZCTEOSA-N 428.514 4.132 5 20 IIBD Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 515631517 ZTYZCBGRQRFPLV-GASCZTMLSA-N 445.541 4.131 5 20 IIBD Cc1csc(NC(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)n1 518923796 PMWVGWAAYDSBIS-UHFFFAOYSA-N 443.554 4.438 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(Cc1cccc(C(F)(F)F)c1)C(C)C 519890863 TWRYWMTYZOXZHG-UHFFFAOYSA-N 432.420 4.222 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 520563573 GAUXFFNTKKZJIA-OAHLLOKOSA-N 435.484 4.437 5 20 IIBD CC[C@@H](c1ccccc1)c1nnc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)s1 520728933 LVMPOLICVWRRRL-HNNXBMFYSA-N 428.470 4.014 5 20 IIBD CNc1ccc(C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)cc1[N+](=O)[O-] 521650694 XRZXBPVPSNPNHV-KRWDZBQOSA-N 428.247 4.296 5 20 IIBD COc1cc(CCNC(=O)NCc2cc(C)cc3c(C)c(C)[nH]c23)c([N+](=O)[O-])cc1OC 522165184 RGOCGZFDEPXUHE-UHFFFAOYSA-N 440.500 4.060 5 20 IIBD CCN(C)C(=O)[C@H]1CSCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 522552670 AEYCKRMBWLTPIW-QGZVFWFLSA-N 449.916 4.034 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccccc2NC(=O)c2cccs2)cc1C 522597433 JAHRTDRVODUFNP-UHFFFAOYSA-N 431.495 4.326 5 20 IIBD Cc1ccc(NC(=O)CSCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c(Cl)c1 522671137 XOTRAOSCSZYEHR-UHFFFAOYSA-N 435.889 4.227 5 20 IIBD COc1ccc(CNCc2cccc(-n3cncn3)c2)cc1OCc1ccc([N+](=O)[O-])cc1 522756383 TUQGHYLUJWAKRA-UHFFFAOYSA-N 445.479 4.053 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c2ccccc2NC1=O 525148739 KNBLTIWHHXHFJS-JKSUJKDBSA-N 445.479 4.398 5 20 IIBD CN(C)CCn1c(=O)oc2ccc(NCc3ccc(-c4ccccc4[N+](=O)[O-])s3)cc21 532888990 WQJSGAMROCZEGC-UHFFFAOYSA-N 438.509 4.405 5 20 IIBD O=C(CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1ccccc1Oc1ccccc1 533516342 MTRQKBTYIMQEHX-GOSISDBHSA-N 447.495 4.297 5 20 IIBD COc1ccccc1NC(=O)C1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 535557104 FQGZONXDLGKADV-UHFFFAOYSA-N 436.468 4.109 5 20 IIBD CCS[C@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)OC)C1 536469896 PPLURUFGHKOOAP-ZFWWWQNUSA-N 426.560 4.044 5 20 IIBD COCC1(C)CCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 538033786 HGFQWJAIKSPTBC-UHFFFAOYSA-N 448.523 4.265 5 20 IIBD COc1cc(CN(C)C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])c(SC)cc1OC 538426334 FHUYDBMCQQINQR-UHFFFAOYSA-N 434.514 4.070 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCc3cccnc3-n3cccn3)c([N+](=O)[O-])c2)cc1 538870070 OZSLGZGRJXMGSS-UHFFFAOYSA-N 428.452 4.348 5 20 IIBD O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1Br 540442891 ZEOJNCGRCUBXDD-HZPDHXFCSA-N 425.666 4.271 5 20 IIBD O=C(Cc1ccc(Cl)cc1Cl)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 541842244 LGAZYVYUEQZXNT-UHFFFAOYSA-N 448.310 4.059 5 20 IIBD CCn1c(SCc2nc(Cc3ccccc3[N+](=O)[O-])no2)nnc1-c1ccccc1C 545536002 BABKKAMNRKGECB-UHFFFAOYSA-N 436.497 4.448 5 20 IIBD O=C(c1ccccc1OC(F)F)N1CCC[C@@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 545552829 NDQYCXKTEQJLDY-CQSZACIVSA-N 444.394 4.266 5 20 IIBD O=[N+]([O-])c1ccc2nc(O)cc(-c3nc(-c4cc(Cl)c5c(c4)OCCCO5)no3)c2c1 546245516 FEVVSFWWYFYDBV-UHFFFAOYSA-N 440.799 4.380 5 20 IIBD COc1ccc([C@@H](Cc2ccc(F)cc2)NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1 546799445 RHXVPNBYSVACBJ-OAQYLSRUSA-N 444.484 4.146 5 20 IIBD O=C(N[C@@H](Cc1cccc(Br)c1)CC1CC1)c1cc2c(cc1[N+](=O)[O-])OCO2 548144653 FEICFYRNEOCGGL-OAHLLOKOSA-N 447.285 4.227 5 20 IIBD CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 549046345 UXGPKURAZPXQDJ-AWEZNQCLSA-N 445.911 4.038 5 20 IIBD O=C(NCc1ccccc1F)c1ccc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cc1 551858680 WBJKTIVTRNHXCQ-UHFFFAOYSA-N 432.411 4.398 5 20 IIBD Cn1ccnc1[C@H](N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 552066225 ABIODMBPPQWSFE-OXQOHEQNSA-N 445.445 4.305 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 557640227 JTODXKDWYBGBQG-MUUNZHRXSA-N 437.543 4.420 5 20 IIBD COCCN(Cc1cccnc1)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 565389313 CDYPNYOKXLCIOO-UHFFFAOYSA-N 443.507 4.491 5 20 IIBD CCCC(=O)Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c1 570381251 MJEUDNVWFRKMRQ-UHFFFAOYSA-N 434.290 4.334 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3cccc4c3OCC(=O)N4)cc2[N+](=O)[O-])n1 573853594 OCWTTYMVCZAVDV-UHFFFAOYSA-N 442.478 4.094 5 20 IIBD Cc1ccccc1[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCOC2)C1 581476642 DOAMRTWIXAILNC-UYAOXDASSA-N 433.512 4.192 5 20 IIBD C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 603966914 MGPXXJDUZBIXJY-KPZWWZAWSA-N 436.295 4.384 5 20 IIBD CC(C)c1c(C(=O)NCc2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(C(F)(F)F)cn1 603999557 FGJYTSQOZSSAPP-UHFFFAOYSA-N 433.390 4.248 5 20 IIBD COc1cc([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)ccc1OC1CCCC1 604036171 JDXKCXFXZNFUAI-ZDUSSCGKSA-N 438.477 4.103 5 20 IIBD O=C(Nc1cccc(Cn2cncn2)c1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 604106191 JXZICCVLNWSYKL-UHFFFAOYSA-N 428.452 4.099 5 20 IIBD CC(C)(C)[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(F)cc1 604147258 UTSFRQCBJBVZDJ-INIZCTEOSA-N 439.390 4.177 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C 604447205 RNRIQWBZRPIPPX-KPZWWZAWSA-N 449.294 4.308 5 20 IIBD COCCN(C(=O)[C@H]1CCOc2ccccc21)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 609102609 YRURKZWSZAMULF-SFHVURJKSA-N 439.493 4.264 5 20 IIBD CCOc1cc(C(=O)N2C[C@@H](c3ccccc3Cl)OC[C@H]2C)c([N+](=O)[O-])cc1OC 609509153 ISBQFUHIYHYHEJ-XCLFUZPHSA-N 434.876 4.258 5 20 IIBD Cc1ccccc1COc1cccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 609565029 RLCBUERBNBRFSP-UHFFFAOYSA-N 447.495 4.231 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1 610069451 MHARMIYUELRIIY-WFASDCNBSA-N 437.855 4.384 5 20 IIBD CCN(Cc1ccccc1)C(=O)CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611202241 YBIOTEWGBAOGQA-UHFFFAOYSA-N 441.553 4.408 5 20 IIBD CC[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc2c(c1)OCCO2 615142883 FQFYZMSINWEIFC-FQEVSTJZSA-N 428.488 4.193 5 20 IIBD CCN(CC)C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2ccccc2)C1 619824351 HFROYXVOTQFANK-NRFANRHFSA-N 448.571 4.264 5 20 IIBD O=C(COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])N[C@@H](c1ccc(F)cc1)C1CCCC1 725934988 LZOOWIZFMZTXIG-HXUWFJFHSA-N 436.386 4.217 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])c1ccc2c(c1)CCCC2 725936988 NGGSDYJOHYFGPZ-QWHCGFSZSA-N 432.423 4.175 5 20 IIBD CC(C)[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)NC1CCCCCC1 725985105 DWPMAHRYQNNTQM-QGZVFWFLSA-N 441.322 4.378 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCc3ccc(-n4ccnc4)nc3)c([N+](=O)[O-])c2)cc1 727430890 GGZVACWCWWNOOE-UHFFFAOYSA-N 428.452 4.348 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1sc(-c2ccccc2)cc1C(N)=O 728157962 ZAYAHBMYVPXGOI-LLVKDONJSA-N 445.884 4.482 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1 730074013 IZOMMHVCPWQASQ-LJQANCHMSA-N 433.436 4.455 5 20 IIBD COc1ccc(N(C(C)C)S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])cc1F 731672836 LPFPGLNJGVICTC-UHFFFAOYSA-N 447.282 4.109 5 20 IIBD CCN(CC)Cc1ccc(CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])cc1 731920276 VJKHJKNZJXOZCL-UHFFFAOYSA-N 427.473 4.045 5 20 IIBD C[C@H](OC(=O)CO[C@H]1CCCC[C@@H]1C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 733572414 XEUBUSUHBHUQAD-DEYYWGMASA-N 447.513 4.184 5 20 IIBD COc1cc(CNc2ccc(NC(C)=O)c(C)c2)c([N+](=O)[O-])cc1OCC(F)(F)F 734157233 XECMEEIJGHRXJH-UHFFFAOYSA-N 427.379 4.423 5 20 IIBD C[C@H](O)C[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 740842633 KZQUNJMZVUPCBL-MOPGFXCFSA-N 439.556 4.191 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 741174683 GKHBSLZTJBOOQW-UHFFFAOYSA-N 432.404 4.099 5 20 IIBD CN(C[C@H]1CCCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)OC(C)(C)C 743111431 HCSXOVZCPBZBDX-CYBMUJFWSA-N 444.435 4.059 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(Cn3c(=S)oc4ccc([N+](=O)[O-])cc43)CC2)cc1 743390424 KEGBYNLCVLEDAB-UHFFFAOYSA-N 430.442 4.281 5 20 IIBD Cc1cc(C)c(C(=O)[C@H](C)OC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1C 745025829 ABBSNHOHEDLSML-RDJZCZTQSA-N 444.509 4.001 5 20 IIBD O=C(OCc1nc(-c2ccc(F)cc2)no1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 747957705 QEZXUVSUWNLQJB-UHFFFAOYSA-N 426.385 4.264 5 20 IIBD CC(C)(C)OC(=O)N1CCc2ccc(OCc3cc([N+](=O)[O-])cc4c3OCOC4)cc2C1 749819885 ZQYMXYPOQDSKIB-UHFFFAOYSA-N 442.468 4.334 5 20 IIBD CCOc1cc(C(=O)OCc2cn3cc(Cl)cc(Cl)c3n2)c([N+](=O)[O-])cc1OC 750107427 NLZXXWMXWFHDEN-UHFFFAOYSA-N 440.239 4.314 5 20 IIBD C[C@@H](OC(=O)c1c(F)cccc1Br)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 750378593 QZAAGFPPNJEIET-MRVPVSSYSA-N 445.628 4.334 5 20 IIBD COC(=O)c1occc1CN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[C@H](C)c1ccccn1 751127881 IBCXXZQEUVCPPN-JXMNSVBMSA-N 435.436 4.173 5 20 IIBD Cc1cccc(Cl)c1NC(=O)COC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 751642330 CSPKKXFZOHXWMU-UHFFFAOYSA-N 429.281 4.484 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N(Cc2ccnc(OC(C)C)c2)C2CC2)cc1[N+](=O)[O-] 752045556 VTHWIFQDZZKRHG-UHFFFAOYSA-N 439.921 4.092 5 20 IIBD O=C(NC1(c2ccc(F)cc2)CCOCC1)c1cc(F)cc([N+](=O)[O-])c1Br 754996183 FXEGBFCDWBAJFQ-UHFFFAOYSA-N 441.228 4.071 5 20 IIBD C[C@@H](C(=O)OCC(=O)Nc1ccccc1SC(F)F)c1ccc([N+](=O)[O-])cc1F 755057328 WNEJOBMVPHVQHU-SNVBAGLBSA-N 428.388 4.334 5 20 IIBD C[C@@H](OC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1)c1ccccc1[N+](=O)[O-] 755760381 FLAOERAYVWPGKO-ACJLOTCBSA-N 447.285 4.153 5 20 IIBD C[C@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1nc(Cc2ccccc2)no1 756528810 PAHZKCQQDAIJIO-LBPRGKRZSA-N 446.257 4.178 5 20 IIBD C[C@H](OC(=O)CCC(=O)c1cc(Cl)sc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 756617391 OCODANJESIMIQO-VIFPVBQESA-N 445.280 4.496 5 20 IIBD CCN1CCN(c2ccc(NC(=O)NCc3cc([N+](=O)[O-])ccc3Cl)c(C)c2)CC1 756814739 CPOVDLWKWSMVJY-UHFFFAOYSA-N 431.924 4.020 5 20 IIBD CN(C(=O)c1ccc(C(=O)O[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1)c1ccccc1 757484482 GEGZAWSGAOIJNS-LEWJYISDSA-N 448.479 4.409 5 20 IIBD C[C@H]1C[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2Br)CCN1Cc1ccccc1 758417450 BBKJMONNKJVZPF-DOTOQJQBSA-N 446.345 4.482 5 20 IIBD Cc1ccc(-c2nc(C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cs2)n1C 758570158 COOMACDGLNCYSR-NSHDSACASA-N 448.888 4.203 5 20 IIBD CC(C)Cn1ncc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1C(F)F 758837944 ITUHTHNFVRNEIL-JTQLQIEISA-N 444.822 4.222 5 20 IIBD O=C(CCc1ncc(-c2ccccc2F)o1)O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 759950577 SMDXARLKHOIZTF-IRXDYDNUSA-N 428.420 4.245 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c1F 760343332 RALRHFUWOQDLRV-UHFFFAOYSA-N 435.458 4.157 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H](c2noc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)n2)C1 761881913 TWNAOVVIPKILFH-ZDUSSCGKSA-N 427.461 4.164 5 20 IIBD COC(=O)N(Cc1noc(-c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)n1)C1CC1 761954735 SEQPULKWQMMQBC-UHFFFAOYSA-N 447.498 4.292 5 20 IIBD COc1cc(Br)ccc1-c1noc(-c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)n1 762306632 DBPKCIDZYMHMEV-UHFFFAOYSA-N 442.229 4.269 5 20 IIBD Cc1cccc(NC(=O)[C@@H](OC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C(C)C)c1C 763869937 MUTXNOPJBWCWAW-NRFANRHFSA-N 436.468 4.217 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1Cc2ccc(Br)cc2C1 765198043 UFCDTLKPPXUICE-UHFFFAOYSA-N 426.064 4.276 5 20 IIBD Cc1nc(CCOC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cs1 767541492 DRXPMOMCOMBAGT-UHFFFAOYSA-N 443.447 4.381 5 20 IIBD O=C(NCc1cc(Cl)ccn1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 770438416 MYUXFXXATYGDEP-UHFFFAOYSA-N 442.825 4.195 5 20 IIBD O=C(Cc1noc(CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1)Nc1cccc2ccccc12 770985005 DPZMZZJRJOEUDG-UHFFFAOYSA-N 447.407 4.006 5 20 IIBD COc1cccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)c1F 771251806 CVADKUUGMYKQFE-UHFFFAOYSA-N 442.369 4.115 5 20 IIBD Cc1nn(CC(=O)O[C@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])c(C)c1Cl 774373159 KIPRMOAGGTZINJ-MRXNPFEDSA-N 444.713 4.256 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1 775542053 HKJXBEVZIURNPU-MRXNPFEDSA-N 444.431 4.457 5 20 IIBD O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1cc([N+](=O)[O-])ccc1Cl 778006687 WWLVEDHJIZDFTJ-HNNXBMFYSA-N 428.659 4.090 5 20 IIBD Cn1nc(C(F)(F)F)c(COC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1Cl 782340210 GMZHGDPRZWEMHV-UHFFFAOYSA-N 431.676 4.376 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccc(NC(=O)C(F)(F)F)cc1 783943652 VLFNJHJNPYXCNE-UHFFFAOYSA-N 447.822 4.158 5 20 IIBD NC(=O)c1cccc(Oc2ccc(NC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])cc2)c1 790557528 AVZVIXYKFQLHPZ-UHFFFAOYSA-N 443.818 4.460 5 20 IIBD C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1 790608386 GKQSFLINSCXACN-VVGNJXTRSA-N 434.496 4.013 5 20 IIBD Cc1c(Cl)cccc1NC(=O)[C@H](C)OC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790746411 SMUYXGYRRWHXDW-JTQLQIEISA-N 429.231 4.462 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 790928345 TZTCHCBGHNKFJX-KRWDZBQOSA-N 425.825 4.112 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@H](C)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 792899345 SSSCTMXNSSOXPR-ZDUSSCGKSA-N 448.317 4.060 5 20 IIBD COc1ccc(C2=NO[C@@H](CNC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)C2)cc1C 802348952 KQNWMHXVNJHUPS-HXUWFJFHSA-N 440.500 4.025 5 20 IIBD O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1cc(Br)cnc1OCC1CC1 803927525 SRROXDYTGJOIIZ-UHFFFAOYSA-N 448.229 4.039 5 20 IIBD CC[C@@H](c1ccccc1OC)N(C)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 805145008 LDTMPYNCRJYIMI-HNNXBMFYSA-N 443.319 4.138 5 20 IIBD CCN(c1ccc(NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1)C(C)C 810393516 STBZDMVIZVKOKQ-UHFFFAOYSA-N 449.305 4.169 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1ccc(-c2ccccn2)cc1 811839148 PTWZVEYZQNNXAZ-UHFFFAOYSA-N 434.271 4.220 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCC(CO)(c2ccccc2)CC1 814262417 OXJGBDMBLADKEL-UHFFFAOYSA-N 425.363 4.052 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCN(C(=O)NCc3ccccc3[N+](=O)[O-])C2)C1 814361707 BCPJUVNEKTYZSG-RTBURBONSA-N 446.548 4.164 5 20 IIBD CC[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C(=O)c1ccc(NC(C)=O)cc1 815511448 KCYOVDWXTZYOAE-KRWDZBQOSA-N 438.358 4.390 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2cccc(Br)c2[N+](=O)[O-])C1 820676767 RMBIMSSJQOIAAT-QWHCGFSZSA-N 428.327 4.487 5 20 IIBD CCOc1cc(-c2nc([C@@H]3CCCN3C(=O)OC(C)(C)C)no2)c([N+](=O)[O-])cc1OC 904705797 MQLFCEIZXBJBQV-ZDUSSCGKSA-N 434.449 4.124 5 20 IIBD O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 916467058 MKYYUYCMFKFGHL-FQEVSTJZSA-N 425.485 4.395 5 20 IIBD O=C(OCC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)c1cc([N+](=O)[O-])ccc1F 919251171 SUTLBJMETJXXFZ-NRFANRHFSA-N 440.452 4.127 5 20 IIBD Cc1ccc(C(C)C)c(Oc2ccc(CN3CCC(OCC(N)=O)CC3)cc2[N+](=O)[O-])c1 1254017933 AFGLHAOWWAKEAJ-UHFFFAOYSA-N 441.528 4.285 5 20 IIBD Cn1cnc([N+](=O)[O-])c1-c1noc(Cc2csc(-c3c(Cl)cccc3Cl)n2)n1 1255969659 DGKCYYMFOIYVSZ-UHFFFAOYSA-N 437.268 4.399 5 20 IIBD O=C(Nc1ccc(Cl)cn1)c1cccc(NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c1 1322125998 ACQNCKBIQIVNNW-UHFFFAOYSA-N 437.843 4.443 5 20 IIBD CS(=O)(=O)c1cccc(-c2nnc(-c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)o2)c1 1322313437 YLRKFIWGIDHXLM-UHFFFAOYSA-N 436.449 4.459 5 20 IIBD CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)c1ccc(F)cc1 1323718243 ILNYZQAXZIEWFJ-HNNXBMFYSA-N 428.201 4.220 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@H]3CCCCO3)cc2)CCC1)c1cc(F)cc([N+](=O)[O-])c1 1785890276 OPLIWEFIKCUWSP-HXUWFJFHSA-N 441.459 4.051 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3cccc4cc[nH]c34)CCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 1790185769 FEBTYDXYFZJHLY-UHFFFAOYSA-N 443.463 4.466 5 20 IIBD Cc1cccc(C)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(F)ccc([N+](=O)[O-])c1C)C2 1800555214 RXQIZIDZMHLXEM-BCDXTJNWSA-N 439.487 4.225 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC2(CCCN(C(=O)Cc3ccccc3)C2)CC1 1809206629 NDRYEROUNNGRQR-UHFFFAOYSA-N 449.551 4.001 5 20 IIBD CC(C)=CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1 1830490575 HJRHUFBFEPOART-HXUWFJFHSA-N 443.544 4.280 5 20 IIBD CCCCC[C@@H](C)C(=O)N1CC2(CCCN2C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])C1 1841331388 ZVEGRIOMYAEEIQ-MRXNPFEDSA-N 435.952 4.211 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)c1 16196066 CBZAUWUOVZSXLL-UHFFFAOYSA-N 449.794 4.179 5 20 IIBD COc1ccc(C(=O)N2CCC[C@@H](C(=O)OCc3cccc([N+](=O)[O-])c3)C2)c2ccccc12 16915651 PLUPHDDKGPWCPA-GOSISDBHSA-N 448.475 4.352 5 20 IIBD COc1ccc(Cc2nnc(S[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)o2)cc1 17740595 SQZFAVRNQADSAS-GFCCVEGCSA-N 439.453 4.481 5 20 IIBD CCOc1ccccc1Nc1nnc(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)s1 20788503 PPOHLLJNGSCRCF-UHFFFAOYSA-N 449.489 4.459 5 20 IIBD CCC[C@@H](C)NC(=O)[C@H](C)OC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 23968944 VCASJGOAHIUHQT-YPMHNXCESA-N 437.543 4.361 5 20 IIBD Cc1oc(-c2ccccc2)nc1C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 24483031 YZHSELCOWVBFIT-GOSISDBHSA-N 437.452 4.371 5 20 IIBD CCn1c(SCC(=O)N(C)Cc2cccc(OC)c2)nc2cc3ccccc3cc2c1=O 24891717 AHAYWUKAUFQJMG-UHFFFAOYSA-N 447.560 4.329 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cccc1[N+](=O)[O-] 26342298 MUJCRIXVQWUDNH-CYBMUJFWSA-N 429.429 4.293 5 20 IIBD CCN(Cc1cccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1)C(C)=O 27041622 MEGIARUHIGICHA-UHFFFAOYSA-N 427.504 4.162 5 20 IIBD COc1cc(CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)c([N+](=O)[O-])cc1OC(F)F 27573877 QAJDMUHDPDIRMU-CQSZACIVSA-N 435.427 4.056 5 20 IIBD COc1ccc(C(=O)Nc2cc(Br)ccc2Br)cc1[N+](=O)[O-] 31950811 MUIOWAVGQAJHAP-UHFFFAOYSA-N 430.052 4.381 5 20 IIBD O=C(COc1ccc2c(C(F)(F)F)cc(=O)oc2c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 36783752 GJPQZIMHTADLPH-UHFFFAOYSA-N 442.733 4.391 5 20 IIBD CC(=O)Nc1ccc(-c2csc(NC(=O)CCNc3ccccc3[N+](=O)[O-])n2)cc1 39547662 XSTUGPCAWFOIIF-UHFFFAOYSA-N 425.470 4.117 5 20 IIBD CCOc1ccc(CCNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1OCC 64868457 VBJMSWBUAAFPLV-UHFFFAOYSA-N 441.509 4.488 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCCc3nccs3)c([N+](=O)[O-])c2)c(C)c1 65230998 YXWRWYXMESDRKV-UHFFFAOYSA-N 432.527 4.124 5 20 IIBD Cc1cccc(Nc2nnc(S[C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)s2)c1 78768046 DBFKQEPFVDEXME-INIZCTEOSA-N 427.511 4.396 5 20 IIBD COc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)c3ccccc32)cc([N+](=O)[O-])c1O 95949695 IVJCUSFGRQYWOD-ODLFYWEKSA-N 430.416 4.345 5 20 IIBD C[C@H](Sc1ccc(C(=O)N2CCCC2)cn1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 105650987 KDVKJAOWFSFWMK-ZDUSSCGKSA-N 425.470 4.129 5 20 IIBD C[C@@H]1CCCCN1Cc1ccccc1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 107583970 QGJSDIDDTSKHOD-LJQANCHMSA-N 436.556 4.499 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)ccc1[N+](=O)[O-] 217210544 HOZKJNKSLRGAPK-UHFFFAOYSA-N 435.845 4.203 5 20 IIBD CC(C)(C)OC(=O)NC[C@@](C)(NCc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 236795458 ZHQVSOHFQZKTNZ-GOSISDBHSA-N 428.327 4.140 5 20 IIBD COc1ccc(-c2nnc(Sc3ncc([N+](=O)[O-])cn3)n2-c2ccc(Cl)cc2)cc1 302174056 WFJARKALTHJFHE-UHFFFAOYSA-N 440.872 4.446 5 20 IIBD O=[N+]([O-])c1ccccc1N1CCN(Cc2csc(COc3ccc(F)cc3)n2)CC1 302811816 MBQXONOEBVIVPI-UHFFFAOYSA-N 428.489 4.092 5 20 IIBD CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1cc(F)cc([N+](=O)[O-])c1N 303049927 JAAGPHBXKLALIM-UHFFFAOYSA-N 443.454 4.330 5 20 IIBD O=C(Cc1cccs1)Nc1ccccc1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 303340200 VLWIMELDBCMMIX-UHFFFAOYSA-N 435.465 4.500 5 20 IIBD Cc1csc(-c2cccc(S(=O)(=O)Nc3ccc([N+](=O)[O-])c4ncccc34)c2)n1 410337547 JZZQXBXEUOYEJG-UHFFFAOYSA-N 426.479 4.376 5 20 IIBD O=C(O)[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C12CC3CC(CC(C3)C1)C2 426768077 USFGOTSHIYLYOB-SJAGGWKPSA-N 427.526 4.478 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O 430487557 XQUZKWWNVMMPIS-ZAOYMGCJSA-N 432.517 4.105 5 20 IIBD CCCN(C(=O)c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1CC)C(C)C 433599165 KFVJRHCIQASGCA-UHFFFAOYSA-N 433.530 4.219 5 20 IIBD CCN(Cc1nc(O)c2ccccc2n1)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 435818550 NBCZNIDNWVMRLG-UHFFFAOYSA-N 442.450 4.132 5 20 IIBD COc1ccc(-c2ncc(C(=O)N3CCCc4c3cccc4[N+](=O)[O-])s2)cc1OC 435900819 DBDLJTVFRQYBOV-UHFFFAOYSA-N 425.466 4.329 5 20 IIBD CN(C)[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1ccc(F)cc1 436067868 RVHPJZZIPVYZCU-FQEVSTJZSA-N 439.437 4.131 5 20 IIBD C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1nc(-c2cccc(F)c2)no1 437156477 RXCWXMXKLBZHRU-VIFPVBQESA-N 435.209 4.037 5 20 IIBD CC(C)c1ccc(C(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1[N+](=O)[O-] 438963801 VWUNLULYFIHJPU-UHFFFAOYSA-N 449.429 4.335 5 20 IIBD O=C(CCN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)Nc1ccc([N+](=O)[O-])cc1 441101944 HESWAIAZDXJOPQ-GFCCVEGCSA-N 428.436 4.278 5 20 IIBD CCCN(C(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)c1cccc([N+](=O)[O-])c1 441456606 HIIVLCVXUKATOQ-UHFFFAOYSA-N 440.525 4.078 5 20 IIBD CN(C)[C@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1c(F)cccc1F 444025083 YYNAAGNHZBJGKS-LJQANCHMSA-N 439.437 4.131 5 20 IIBD CCN(C[C@H]1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1)CC(F)(F)F 444093582 BEELTDGHNZKCQE-OAHLLOKOSA-N 431.458 4.028 5 20 IIBD O=C(NCc1cc(Cl)cc2c1OCC2)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444306801 AGUZPWYACMXYKS-UHFFFAOYSA-N 440.833 4.478 5 20 IIBD C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 444411453 OXMSGHFLDHPHSC-XOBRGWDASA-N 426.860 4.036 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](c2cccc(Cl)c2)OC[C@H]1C 444733963 XWVMQOBIOPDSPO-JLTOFOAXSA-N 433.892 4.047 5 20 IIBD C[C@@H](NC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)C(c1ccccc1)c1ccccc1 444997739 LROYZXRBSIAJEF-MRXNPFEDSA-N 429.480 4.491 5 20 IIBD C[C@H]1CCc2c(sc3nc(CCc4nc(-c5ccc([N+](=O)[O-])s5)no4)nc(O)c23)C1 445486705 OZJKXGPSTHHFTM-VIFPVBQESA-N 443.510 4.327 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(Cc3csc(-n4c(C)ccc4C)n3)n2)c1 445576610 KRKUMVUOBHSAGG-UHFFFAOYSA-N 425.470 4.032 5 20 IIBD Cn1cnnc1Sc1ccc(-c2nc(C(C)(C)c3cccc(F)c3)no2)cc1[N+](=O)[O-] 445627885 SJAGFJLYTXQIRL-UHFFFAOYSA-N 440.460 4.390 5 20 IIBD Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c(OC[C@@H]2CCCO2)c1 445920272 VDKVMYHHCJQCQP-INIZCTEOSA-N 449.301 4.405 5 20 IIBD C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 447023558 NVNJBBZKEDOJDK-DGCLKSJQSA-N 432.395 4.319 5 20 IIBD CCCCCNC(=O)C1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC1 447666624 BBZKEUSAOFJOQC-UHFFFAOYSA-N 438.397 4.167 5 20 IIBD C[C@@H]1CN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@]2(CCO[C@@H]2C)O1 448376156 VWTDBKWWPMCNPX-RRQZXNHTSA-N 448.523 4.216 5 20 IIBD COc1ccc(C(=O)CC(C)(C)CC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 461391020 SKNBLRWZPIAJSZ-UHFFFAOYSA-N 426.469 4.014 5 20 IIBD CCc1cc(=NC(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)c2cc([N+](=O)[O-])ccc2[nH]1 462598451 AGELRYSFQNITDZ-UHFFFAOYSA-N 434.496 4.042 5 20 IIBD Cc1sc(NC(=O)Cn2nc(C(F)(F)F)cc2C)nc1-c1cccc([N+](=O)[O-])c1 463453247 GATNSAXJDXTCFU-UHFFFAOYSA-N 425.392 4.189 5 20 IIBD COc1cc(CNC(=O)COc2c(F)cccc2[N+](=O)[O-])ccc1OCc1ccccc1 463574703 CWMOGRKSHMCXOS-UHFFFAOYSA-N 440.427 4.017 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 464052062 WWOFFCNUMYYHRF-HXUWFJFHSA-N 438.871 4.104 5 20 IIBD CN([C@@H](c1ccc(Cl)cc1)C(F)(F)F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F 464431985 XLERLRRMHIWMDP-AWEZNQCLSA-N 426.775 4.311 5 20 IIBD C[C@@H](CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1c(Cl)cccc1Cl 465165592 MTKKKTVLWDJQFE-NSHDSACASA-N 425.268 4.135 5 20 IIBD COC(=O)c1cccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1OC(C)C 466661385 RMMQFBATCDSRFM-UHFFFAOYSA-N 444.487 4.367 5 20 IIBD CC(C)(C)S(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 468065740 SACQOEKNYMOHSZ-UHFFFAOYSA-N 441.303 4.182 5 20 IIBD CC1(C)CN(C(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C[C@@H]1O 468578946 RMKKLUJOWNYSBF-VZEGMYIASA-N 437.521 4.365 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(C)nc1-n1cc(Cl)cn1 470332958 MEKCZSILCRCPSK-INIZCTEOSA-N 427.892 4.022 5 20 IIBD O=C(COc1ccccc1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)Nc1ccccc1F 470708761 DHYNAFVNQAXYHN-UHFFFAOYSA-N 427.363 4.143 5 20 IIBD CCOc1cc(C(=O)N[C@@H]2C[C@H](OCc3ccccc3)C2(C)C)c([N+](=O)[O-])cc1OC 471693098 MADSTBGQIAVNCV-RTWAWAEBSA-N 428.485 4.116 5 20 IIBD COc1cccc(OC)c1SCC(=O)Nc1ccc([N+](=O)[O-])cc1Br 473521918 KXIBXFOOGZZUMU-UHFFFAOYSA-N 427.276 4.105 5 20 IIBD COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1cc(C)c([N+](=O)[O-])cc1C 473762719 HEEWSJVTJORFTF-ZDUSSCGKSA-N 428.894 4.080 5 20 IIBD O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1c(Cl)cccc1[N+](=O)[O-] 475780256 OLCBKSSUTHTMEL-GFCCVEGCSA-N 428.659 4.090 5 20 IIBD COc1cccc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2OC)c2cc(F)ccc2OC)c1 476245395 LSDWWAJMOZZHQV-OAQYLSRUSA-N 440.427 4.279 5 20 IIBD COc1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3F)n2C[C@@H]2CCCO2)cc1 476473574 VJNWPFWGJMHYTM-SFHVURJKSA-N 444.488 4.472 5 20 IIBD C[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 478078320 PXYBOEXTVSPDEJ-HNNXBMFYSA-N 441.919 4.042 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC[C@H]3[C@@H]3CCCC3=O)cc2[N+](=O)[O-])n1 478661453 KWCKTKACTAZLFJ-GJZGRUSLSA-N 431.539 4.485 5 20 IIBD CCOc1cc(Br)ccc1NC(=O)c1cc(OCC)c(OC)cc1[N+](=O)[O-] 479225358 PEBKNTKUQOJLDA-UHFFFAOYSA-N 439.262 4.416 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCO[C@H](c2ccc(F)cc2Cl)C1 479299665 ZIKUTCZNKAGMQA-FQEVSTJZSA-N 433.867 4.201 5 20 IIBD COc1ccc(-c2ccc(CN[C@H](C)CS(=O)(=O)c3ccc(C)cc3)o2)c([N+](=O)[O-])c1 479394079 QLUPZJXKHCTLGU-MRXNPFEDSA-N 444.509 4.124 5 20 IIBD O=[N+]([O-])c1ccc2nc(N3CCCN(Cc4csc(Cc5ccccc5)n4)CC3)[nH]c2c1 481168621 AVHSDZLPQJJXIZ-UHFFFAOYSA-N 448.552 4.231 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])cc(Cl)c1F 481563166 ANGKSDUIZWNZQM-UHFFFAOYSA-N 428.825 4.157 5 20 IIBD CC[C@H](NC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1)c1cc(F)cc(Br)c1 485671046 MYKLIGMYZRXLSB-AWEZNQCLSA-N 441.253 4.395 5 20 IIBD COC(=O)[C@H](C)[C@@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccccc1 486191315 JMECUGUQJZGFIH-UZUQRXQVSA-N 448.475 4.454 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 486449009 WMPZSLSCBWBYNL-LJQANCHMSA-N 449.960 4.164 5 20 IIBD O=[N+]([O-])c1cc2c(c(C[S@](=O)Cc3cc(F)c(C(F)(F)F)cc3F)c1)OCOC2 488865862 UADPGQAYVCYKEL-GDLZYMKVSA-N 437.342 4.207 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@@H](Oc2ccccc2Cl)C1 489038491 QJEVPCNSFQDYLQ-OAHLLOKOSA-N 426.860 4.118 5 20 IIBD C[C@@H]1C[C@H]1c1cc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n[nH]1 490243804 KSOWACWHHIGSTE-FOIQADDNSA-N 442.479 4.475 5 20 IIBD CC(=O)Nc1ccc(-c2csc(NC(=O)CSc3ccccc3[N+](=O)[O-])n2)cc1 497389593 POSYANXNJKERJX-UHFFFAOYSA-N 428.495 4.408 5 20 IIBD COC(=O)[C@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccc(C)cc1 500995739 WGDRJCLGTUFENC-OAQYLSRUSA-N 447.491 4.202 5 20 IIBD CC[C@@H]1C[C@@]1(NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1cccc(C)c1 501630825 WTEBYSYCAKTGAG-ZHRRBRCNSA-N 437.525 4.238 5 20 IIBD CC(C)N1CCN(c2cccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])c2)CC1 502867173 JUPWAJHHJNLJBW-MRXNPFEDSA-N 446.935 4.185 5 20 IIBD O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 502969906 NKBLPAXGAWNYCC-UHFFFAOYSA-N 444.329 4.306 5 20 IIBD COCCSc1ccc([C@H](C)NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 504720757 LTKWIMHXNOEIDQ-KRWDZBQOSA-N 443.569 4.427 5 20 IIBD C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(-n2cccn2)c(F)c1 505300633 XEJJYDJDAMMDFZ-LLVKDONJSA-N 433.237 4.173 5 20 IIBD CCN(CC(=O)Nc1ccccc1OC)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 507683486 KROMUFCPVHQEIY-UHFFFAOYSA-N 426.498 4.188 5 20 IIBD C[C@@H](O)[C@@H]1CCN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C1 509442626 RKWOFBYMKOTERU-TZMCWYRMSA-N 429.523 4.199 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)N(C)C2CCCC2)cc([N+](=O)[O-])c1C 509524941 XOTRKOFVVHOQRC-UHFFFAOYSA-N 431.514 4.027 5 20 IIBD C[C@H](C(=O)Nc1ccc(Cl)c(F)c1N1CCOCC1)c1ccc([N+](=O)[O-])cc1F 512919280 BUEBMVNUNCOXPX-NSHDSACASA-N 425.819 4.105 5 20 IIBD COCC[C@@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C(C)(C)C 512980946 ZLNOKROXKLRULH-GOSISDBHSA-N 445.482 4.397 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 516025984 LJBXEADXHCLCDR-INIZCTEOSA-N 438.267 4.212 5 20 IIBD CCOc1cc(NC(=O)C(=O)N2CCC[C@H]2c2ccc(C)cc2)c([N+](=O)[O-])cc1OCC 517109306 OEPHKBDHQFUYCV-SFHVURJKSA-N 441.484 4.003 5 20 IIBD C[C@@H](NCc1cc(I)cc([N+](=O)[O-])c1)c1nccn1-c1ccccc1 517441942 KPPRUSHVSADIEU-CYBMUJFWSA-N 448.264 4.236 5 20 IIBD CC[C@H](c1ccccc1)c1nnc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)s1 518562963 QGMBUDRUGKDUJZ-QGZVFWFLSA-N 434.481 4.426 5 20 IIBD O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)cc1 521335844 IPNZYCZEFLIICB-UHFFFAOYSA-N 443.423 4.072 5 20 IIBD COc1ccc(C[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])c2ccc(OC)cc2)cc1 521532985 HHLBCFNDMGHTHT-JOCHJYFZSA-N 435.480 4.124 5 20 IIBD CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc([N+](=O)[O-])cc1Cl 521574025 QWTGWOUEZZHMBL-UHFFFAOYSA-N 429.826 4.471 5 20 IIBD C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 525608316 ROYWEBBMAHOOQG-MGPUTAFESA-N 430.936 4.273 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(Oc2ccc(C)c(C)c2)CC1 532492862 QQTJTRKXFTVHSO-UHFFFAOYSA-N 427.501 4.092 5 20 IIBD COc1ccc2[nH]cc(C3=CCN(Cc4nnc(-c5ccc([N+](=O)[O-])cc5)o4)CC3)c2c1 533028874 XLJDMUKYJAPEQB-UHFFFAOYSA-N 431.452 4.424 5 20 IIBD COc1cc(C(=O)N[C@@H]2CCO[C@H]2C2CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 534815815 SKMANKKTNBSBAK-QRWLVFNGSA-N 432.860 4.346 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(C[S@@](=O)Cc3nc(-c4ccc(F)c(F)c4)no3)co2)cc1 535506727 GINXJEFIXFESTG-WJOKGBTCSA-N 446.391 4.027 5 20 IIBD CCc1nc2cc(NC(=O)c3cc(I)cc([N+](=O)[O-])c3)ccc2o1 535734375 QJXZCVKNFWHJAE-UHFFFAOYSA-N 437.193 4.155 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(F)cc2I)c1 538428865 UKQUGPXMTNRTOP-UHFFFAOYSA-N 444.200 4.055 5 20 IIBD Cc1csc(=O)n1CCC(=O)N(CC(C)C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 539354708 YLLIYWCXOLHQBD-UHFFFAOYSA-N 446.554 4.329 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@H](CC(=O)N(C)C)c2cc(Cl)ccc21 539843001 OAAHGNPCSIZDTL-HNNXBMFYSA-N 429.904 4.396 5 20 IIBD CCO[C@@H](C)c1nc(CN2CCN(c3cc(C)nc4ccc([N+](=O)[O-])cc34)CC2)cs1 541189861 NHCNVIMKJVQSJU-INIZCTEOSA-N 441.557 4.328 5 20 IIBD O=C(CN[C@@H](Cc1ccc(Cl)cc1)c1ccccn1)N1CCc2ccc([N+](=O)[O-])cc21 541194334 FPYMKSTVZCDLGY-NRFANRHFSA-N 436.899 4.106 5 20 IIBD CC(C)n1nnnc1-c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1F 541226195 YYAYLQFRFKVRKT-UHFFFAOYSA-N 438.341 4.239 5 20 IIBD O=C(NCCCNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)c1cccs1 541607400 CMQCVTRMFPGAIN-UHFFFAOYSA-N 447.582 4.489 5 20 IIBD Cc1cc(-c2noc([C@@H](C)NCCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2)ccc1F 543545917 VMXFMKXEUPMNFW-CQSZACIVSA-N 427.436 4.080 5 20 IIBD O=C1C[C@H](c2nc(Cc3ccccc3[N+](=O)[O-])no2)CN1Cc1cccc(C(F)(F)F)c1 544910604 PGMNYGFVOSGYLC-HNNXBMFYSA-N 446.385 4.104 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1nc(-c2cc(Cl)ccc2O[C@H]2CCOC2)no1 545077462 ALNRAJQCBUWHPV-AWEZNQCLSA-N 430.848 4.121 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(-c2noc(-c3cc4cc([N+](=O)[O-])ccc4o3)n2)cc1 545628715 IPZPFKXEBXQCSP-UHFFFAOYSA-N 442.453 4.089 5 20 IIBD COc1ccc(Cc2noc(-c3cc(O)nc4ccc([N+](=O)[O-])cc34)n2)cc1OC(F)F 545643431 OXEDLIQPLVNZSX-UHFFFAOYSA-N 444.350 4.099 5 20 IIBD CN1CCCN(c2ccc(-c3noc(CNc4ccccc4[N+](=O)[O-])n3)cc2Cl)CC1 546478539 LDBCNQKWGUNTFS-UHFFFAOYSA-N 442.907 4.052 5 20 IIBD CSc1cccc(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c1[N+](=O)[O-] 547932189 CUXLHYNIWZVRMY-UHFFFAOYSA-N 425.510 4.014 5 20 IIBD Cn1ccnc1[C@H](Nc1cccc(I)c1)c1cccc([N+](=O)[O-])c1 552288176 GEDWPNKPLFUDGB-MRXNPFEDSA-N 434.237 4.134 5 20 IIBD CC(C)[C@@H]1C[C@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)CCO1 552854082 WSKIMRUBHVZSPN-CJNGLKHVSA-N 449.554 4.066 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 554405895 WGUNQETYMDTITE-QWHCGFSZSA-N 439.440 4.229 5 20 IIBD COc1cc(C(=O)NCc2ccc(OC3CCCC3)cc2)c([N+](=O)[O-])cc1OC(F)F 556475948 CPERDBMENRVOJQ-UHFFFAOYSA-N 436.411 4.456 5 20 IIBD CC(C)(C(=O)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2)c1ccc([N+](=O)[O-])cc1 560155053 ZBAHCSZGORCYDV-UHFFFAOYSA-N 435.452 4.215 5 20 IIBD COc1ccc(CNc2ccc(C(=O)N(C)C)cc2)cc1OCc1ccc([N+](=O)[O-])cc1 570811872 MXMXPPZUYNEUNQ-UHFFFAOYSA-N 435.480 4.496 5 20 IIBD O=C(Nc1cccc(CSC2CCOCC2)c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 575098323 DCNCJHWJSOKRGJ-UHFFFAOYSA-N 443.525 4.434 5 20 IIBD O=C(Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2)c1c[nH]c2cc([N+](=O)[O-])ccc12 576738196 WZEMUSOOVMADDX-UHFFFAOYSA-N 440.459 4.460 5 20 IIBD Cc1ccc(C2(c3noc(-c4cc(O)nc5ccc([N+](=O)[O-])cc45)n3)CCOCC2)cc1 581038130 SESQWELODMLMEL-UHFFFAOYSA-N 432.436 4.304 5 20 IIBD COC(=O)[C@H](NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc(OC(F)F)cc1 582917615 KWZYPIWKROJUJV-OAHLLOKOSA-N 434.317 4.219 5 20 IIBD CCCCOc1ncccc1CNCc1cc(I)cc([N+](=O)[O-])c1 583722119 HZOYMJMQGAFZTC-UHFFFAOYSA-N 441.269 4.063 5 20 IIBD O=C(c1ccccc1)c1ccc(NCCCS(=O)(=O)Cc2ccccc2)c([N+](=O)[O-])c1 603854926 RYTOVKAFFZPIFA-UHFFFAOYSA-N 438.505 4.243 5 20 IIBD O=C(Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1)c1ccccc1 603979601 LLPIUGOWVONWIL-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)NCc2cccc(OCc3ccccn3)c2)cc1[N+](=O)[O-] 604033604 FASPDHIOBDXSPO-UHFFFAOYSA-N 447.900 4.009 5 20 IIBD CCN(CC)C(=O)c1ccc(NC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)cc1Cl 604087501 UZEFBPSKOYNCFQ-UHFFFAOYSA-N 434.880 4.061 5 20 IIBD O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1csc(-c2ccc3c(c2)OCO3)n1 608838843 FRAYDOBJCJPSEQ-UHFFFAOYSA-N 435.421 4.089 5 20 IIBD COc1cc(C(=O)Nc2ccc(CN3CCc4ccccc43)cc2)c([N+](=O)[O-])cc1OC 608873961 QCQYGHWLQVZRMA-UHFFFAOYSA-N 433.464 4.427 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)cc1SC 609126949 SAESJEUKMLSVNI-MRXNPFEDSA-N 426.498 4.487 5 20 IIBD O=C(NCc1ccc(Br)cc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 609317039 DAULOOBAADVSOJ-UHFFFAOYSA-N 433.180 4.228 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2cccc(OCc3cccnc3)c2)no1 609475588 SSBFYZOUVIOOLF-OAHLLOKOSA-N 445.435 4.110 5 20 IIBD C[C@@H](Oc1ccccc1NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1ccccc1 609652290 KEDRTVOBYWEUMK-OAHLLOKOSA-N 440.477 4.391 5 20 IIBD CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 609853277 JNDLJZBAEKGQFB-UHFFFAOYSA-N 429.782 4.156 5 20 IIBD COC(=O)[C@@H](c1ccccc1)N(C)C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 609862410 ZFQJFKUAOHFUQS-QGZVFWFLSA-N 442.415 4.078 5 20 IIBD Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)Nc1ncc([N+](=O)[O-])c(N)n1 610077531 VLGWHPXPLXRUOM-VIFPVBQESA-N 435.307 4.335 5 20 IIBD Cc1c(CSC(C)C)cccc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 610330326 SXMGYEOQSWQKSK-UHFFFAOYSA-N 429.546 4.294 5 20 IIBD COC(=O)C1(CN[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCCC1 610587247 ORERRTWKSJMROL-LJQANCHMSA-N 445.903 4.251 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 611147831 RYLMJSXNMCMEEX-VXGBXAGGSA-N 427.345 4.346 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC2(CC1)OCc1ccccc12 618832257 XEAGSYXDLMEACQ-UHFFFAOYSA-N 435.402 4.345 5 20 IIBD O=C(NCc1noc(C(F)(F)F)n1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 619253999 CZQYWFRDMPHPRE-UHFFFAOYSA-N 442.737 4.372 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(Cc3nc(-c4cccs4)no3)CC2)c(C(F)(F)F)c1 727436817 BHRVFVDTLFMZMR-UHFFFAOYSA-N 439.419 4.047 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)CCc2ccccc2OC(F)(F)F)cccc1[N+](=O)[O-] 727554702 WVXIFXSZBHBTHD-CYBMUJFWSA-N 440.374 4.305 5 20 IIBD O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1cc([N+](=O)[O-])ccc1Br 730756932 COSWUBSANQKIEA-ZDUSSCGKSA-N 439.237 4.307 5 20 IIBD C[C@@H](ONC(=N)c1ccccc1OCc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 733305335 BIJZOYJCVAPBAN-MRXNPFEDSA-N 434.452 4.048 5 20 IIBD Cc1ccc(C[C@H]2CCCN2S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])cc1 733319545 OJOWWNKIQDJXSX-MRXNPFEDSA-N 439.331 4.062 5 20 IIBD O=C(C[C@@H]1OCCc2ccccc21)OCCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 734709570 ZVEIAKCLXROXQM-SFHVURJKSA-N 425.359 4.240 5 20 IIBD COc1cc(OCC(=O)O[C@@H](c2ccc(Br)cc2)C2CC2)ccc1[N+](=O)[O-] 734726733 IYSMMPVTTCQYCO-LJQANCHMSA-N 436.258 4.439 5 20 IIBD CCc1ccc(OC(=O)Cc2csc(NC(=O)c3ccccc3F)n2)c([N+](=O)[O-])c1 734739739 MDMHELUCHSCJDS-UHFFFAOYSA-N 429.429 4.153 5 20 IIBD C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F 738777068 XKXXBWSCTVCCID-LLVKDONJSA-N 428.338 4.113 5 20 IIBD Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c2cccnc2c1C 743048456 PXGYJZPOESLBJW-UHFFFAOYSA-N 436.287 4.323 5 20 IIBD CCOc1ccc(-c2nc(COC(=O)CN(C)c3ccccc3[N+](=O)[O-])cs2)cc1 744359064 MCBGOKCFEMWRCM-UHFFFAOYSA-N 427.482 4.297 5 20 IIBD Cc1c(C(=O)O[C@@H](C)c2nc(Cc3ccccc3)no2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 744897723 DIARGQMKPQIVEC-ZDUSSCGKSA-N 426.385 4.012 5 20 IIBD CCCC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 745071093 IUKZHAXSHRLTKC-HNNXBMFYSA-N 426.469 4.426 5 20 IIBD O=C(O)c1ccc(F)c(S(=O)(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1 745979506 TZMLOGIEYDCFKK-UHFFFAOYSA-N 432.385 4.025 5 20 IIBD C[C@H](OC(=O)c1ccc(I)c([N+](=O)[O-])c1)c1ncc(C(C)(C)C)o1 747699035 MMRYLKOFAGDDQK-VIFPVBQESA-N 444.225 4.403 5 20 IIBD C[C@@H](OC(=O)Cc1cccc(OC(F)(F)F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 748359202 BMCYJEHZEWPMAM-LLVKDONJSA-N 437.330 4.390 5 20 IIBD CN(C)[C@@H]1CCC[C@@H](NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 749450941 GLWIDAFNBFTBBM-HUUCEWRRSA-N 444.919 4.103 5 20 IIBD O=C1[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1c1cccc(Cl)c1 749923240 HMYDKHLTKOITHY-SFHVURJKSA-N 428.901 4.267 5 20 IIBD C[C@H](OC(=O)c1c(F)cccc1Br)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 750379591 IOKRNNRHOCYFNZ-VIFPVBQESA-N 436.193 4.464 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 750794335 PRSWFEBKEAJRLI-CQSZACIVSA-N 446.529 4.095 5 20 IIBD O=C(OCc1nnc(-c2ccccc2Cl)o1)c1ccc(Br)cc1[N+](=O)[O-] 750827750 YHPYIPLZVKFMBU-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)cc1[N+](=O)[O-] 752133835 DUTDTRNKDCBSFD-AWEZNQCLSA-N 442.472 4.066 5 20 IIBD C[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H](O)c1c(F)cccc1Cl 752646286 XMGXMEANQWDKDO-ANRSDYALSA-N 433.770 4.232 5 20 IIBD CCOc1cc(C(=O)N2CCC[C@@H](N(C)c3ccc(C)cc3)C2)c([N+](=O)[O-])cc1OC 753049842 ZRPTUCAYWVWPEF-GOSISDBHSA-N 427.501 4.052 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)cc1[N+](=O)[O-] 755027227 QKUGPGGIUUQYGT-UHFFFAOYSA-N 434.861 4.248 5 20 IIBD Cc1c(CCC(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)cnn1C 758157434 VDBUWZVDZYHVER-UHFFFAOYSA-N 442.859 4.081 5 20 IIBD Cc1noc(C[C@H](NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c2ccccc2)n1 760112977 KWPZPTCRCNVOJR-HNNXBMFYSA-N 446.261 4.154 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1cc2ccccc2nc1Br 760177947 KHIWCLDYPRKSRA-UHFFFAOYSA-N 430.262 4.139 5 20 IIBD C[C@H](C(=O)Nc1cccnc1N1C(=O)O[C@H](C(F)(F)F)[C@H]1C)c1cccc([N+](=O)[O-])c1 763184091 WBYJMRFGWSCZEV-RWSFTLGLSA-N 438.362 4.008 5 20 IIBD COC(=O)c1ccc(OC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)cc1[N+](=O)[O-] 763705341 LLDCNAVCFGTKCJ-OAQYLSRUSA-N 447.399 4.055 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc2c(c1)nc(O)n2CC(F)(F)F 764635252 ORUXDBSEGRRCBG-UHFFFAOYSA-N 442.781 4.138 5 20 IIBD COC(=O)c1coc([C@H](C)OC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 766981313 BLCLXVQHLPVWMR-KGLIPLIRSA-N 439.424 4.461 5 20 IIBD CC(=O)[C@H](Cc1ccc(F)c(F)c1F)OC(=O)c1ccc(Br)c([N+](=O)[O-])c1 768355627 HIFVVZVOFDGUNQ-AWEZNQCLSA-N 446.175 4.132 5 20 IIBD COc1cc(CN(C)S(=O)(=O)c2csc([N+](=O)[O-])c2)ccc1OCc1ccccc1 768792872 FNPMYPXXHSHJBY-UHFFFAOYSA-N 448.522 4.065 5 20 IIBD C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H](O)c1c(F)cccc1Cl 771028535 ONIOERPHHFBFNY-GLEZIHRCSA-N 431.645 4.002 5 20 IIBD CC[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@H](O)c1c(F)cccc1F 771706434 XIPDLCABNMFLHJ-DFBJGRDBSA-N 436.458 4.061 5 20 IIBD C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(N2CCOC2=O)cc1 771766774 VABWSCZVWKZINO-LLVKDONJSA-N 438.362 4.453 5 20 IIBD Cc1cccnc1COC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 771896780 OVLAYTUUADILGV-UHFFFAOYSA-N 428.448 4.437 5 20 IIBD COc1cc(CNCc2ccc(C(C)(C)O)cc2)c([N+](=O)[O-])cc1OCC(F)(F)F 775325902 DTOWKFHAPHCTLM-UHFFFAOYSA-N 428.407 4.062 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NS(=O)(=O)c1cccc2cnccc12 777316837 HHCZWPZIFGMGJU-UHFFFAOYSA-N 445.522 4.154 5 20 IIBD CCOc1cc(Cl)ccc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 778891710 FNSWPMRMWSGUDX-UHFFFAOYSA-N 446.765 4.461 5 20 IIBD CCOc1cc(Cl)ccc1C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 778891903 CDLKFOLLUXIGIP-JTQLQIEISA-N 427.240 4.484 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 779568872 ABTJCFGOUHWVQK-UQNNOOFXSA-N 446.507 4.070 5 20 IIBD CCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 780851904 OHAQFLXKHAFRAO-QFIPXVFZSA-N 436.458 4.464 5 20 IIBD Nc1ccc(Br)c(F)c1C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 781224817 SIOBVLVBTFFYHD-UHFFFAOYSA-N 436.193 4.091 5 20 IIBD CCS(=O)(=O)c1ccc(Br)c(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c1 781600087 UOVPPFIWMIOEQP-UHFFFAOYSA-N 441.303 4.020 5 20 IIBD O=C(Nc1cccc(COCc2ccco2)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 783296003 ZUFAVULZBCNZET-UHFFFAOYSA-N 429.816 4.135 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N(CC(C)C)C2CCCC2)cc1[N+](=O)[O-] 783398441 KLODKVQHKXRHKK-UHFFFAOYSA-N 426.311 4.031 5 20 IIBD C[C@@H]1CN(Cc2ccccc2NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@@H](C)O1 790840123 VDGVZIGZSMQLET-ZIAGYGMSSA-N 435.883 4.178 5 20 IIBD COc1ccccc1[C@@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 790845618 GHFASATYWBAAKX-INIZCTEOSA-N 449.485 4.044 5 20 IIBD COc1ccccc1[C@@H]1CCCN1CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O 795427845 QOHCWFIPDQUGJD-KRWDZBQOSA-N 446.301 4.116 5 20 IIBD COc1c(C(=O)O[C@@H](C)C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cccc1[N+](=O)[O-] 796309311 LGJQDEWHZPQFPT-ZDUSSCGKSA-N 428.441 4.016 5 20 IIBD CCC[C@@H](C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccccn1 799535743 GIVAWPNTRDCRDD-TZMCWYRMSA-N 439.390 4.463 5 20 IIBD O=C(N[C@H](c1c[nH]c2ccccc12)C(Cl)(Cl)Cl)c1cnc(O)c([N+](=O)[O-])c1 804577707 ZCLNVGBKRCIVSU-CYBMUJFWSA-N 429.647 4.018 5 20 IIBD C[C@H](OC(=O)c1cc(F)c(C(F)(F)F)cc1F)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 805595116 ZBPFZCDXEAEDBS-ZETCQYMHSA-N 436.264 4.215 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCC[C@@H]1CCNC(=O)OC(C)(C)C 805765380 KNVKMWUETFSLBU-QGZVFWFLSA-N 434.537 4.001 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1OC(=O)Cc1sc(N2CCOCC2)nc1-c1ccccc1 810537386 YKTLXAZHSXJKIU-UHFFFAOYSA-N 439.493 4.011 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](C2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC2)C1 810946912 YWERKMZWMAIIBI-INIZCTEOSA-N 443.500 4.450 5 20 IIBD Cc1cc(=O)c(C(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])nn1-c1ccccc1 811041883 KCTKCBSMFTZKGM-UHFFFAOYSA-N 434.235 4.113 5 20 IIBD CC(C)(CCc1noc(C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)n1)[N+](=O)[O-] 812813786 NEVBBKSCEJIAQE-UHFFFAOYSA-N 440.422 4.096 5 20 IIBD CC(C)(C)OC(=O)NCCc1ccc(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc1 814108911 BXRMNEGEDMFJQC-UHFFFAOYSA-N 441.528 4.256 5 20 IIBD CC[C@@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 815022318 OFNLFOYPZOZSON-MRVPVSSYSA-N 447.819 4.292 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)CSc1ccc(F)cc1 864241484 UYVGWDWBBHDHBV-UHFFFAOYSA-N 430.461 4.313 5 20 IIBD Cc1cc([C@H]2CCCN2c2ccc(S(=O)(=O)NC3CCC(C)CC3)cc2[N+](=O)[O-])no1 913047307 SSYMBBQBBSXBKH-GSQSYGFSSA-N 448.545 4.090 5 20 IIBD COc1ccc(CSCC(=O)OCC(=O)c2ccc3c(c2)CCCC3)cc1[N+](=O)[O-] 914916136 MAIWQYNCEWJIKE-UHFFFAOYSA-N 429.494 4.142 5 20 IIBD CC(C)n1ncc2cc(/C=C\c3ccnc(-c4cccc([N+](=O)[O-])c4)[n+]3[O-])c(Cl)nc21 915988481 XNZZOBBSJCZFDZ-SREVYHEPSA-N 436.859 4.440 5 20 IIBD COc1ccccc1[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1C)NC(=O)OC(C)(C)C 916667241 IVLIRCDVTLQLGR-SFHVURJKSA-N 444.488 4.299 5 20 IIBD C[C@@H](Sc1ccccc1Cl)C(=O)N(C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 916993651 NQPLDASFYTWECN-SNVBAGLBSA-N 449.337 4.230 5 20 IIBD Cc1nccn1-c1ccc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cn1 917187671 LHFNDAFMDQYKAX-HZPDHXFCSA-N 434.500 4.219 5 20 IIBD COc1ccc([C@@H]2CCCCCN2C(=O)COC(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1 920906480 XMRLMTYWEIZOMN-NRFANRHFSA-N 426.469 4.213 5 20 IIBD CC(C)[C@@H](OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2sccc2C1 924161457 WGLHLYXEQMVYEV-IFXJQAMLSA-N 448.566 4.290 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCC(n3c(O)nc4ccccc43)CC2)c(Br)c1 1255176602 VWRZZRMFEJOTAX-UHFFFAOYSA-N 431.290 4.250 5 20 IIBD Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 1319322159 NPVFRDYIKGARTL-UHFFFAOYSA-N 439.815 4.056 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CCO[C@@H](c2ccc(Cl)s2)C1 1320890842 RKNRQRJWBXUXIO-LLVKDONJSA-N 431.695 4.286 5 20 IIBD CN(c1ccccc1)S(=O)(=O)c1cccc(-c2nnc(-c3cccc([N+](=O)[O-])c3)o2)c1 1322261832 HNKJIRKBAGBSCQ-UHFFFAOYSA-N 436.449 4.137 5 20 IIBD C[C@@H]1CCc2sc(-c3nnc(CCCn4c(=O)oc5cc([N+](=O)[O-])ccc54)o3)cc2C1 1328306632 HOGQDXNSTULZEJ-GFCCVEGCSA-N 440.481 4.372 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC(Cc2ccccc2C(F)(F)F)C1 1340155443 UNBJANDKCNRFEI-UHFFFAOYSA-N 430.386 4.114 5 20 IIBD COc1ccc(OC(=O)c2cc(C)nc3c2cnn3Cc2ccc(C)cc2)c([N+](=O)[O-])c1 1341786957 KUZLIFZQDJAOKU-UHFFFAOYSA-N 432.436 4.232 5 20 IIBD Cc1ccccc1NCC(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1 1788109944 BUUZVWZGFFVPLX-UHFFFAOYSA-N 447.495 4.091 5 20 IIBD CCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc([N+](=O)[O-])ccc2F)CC1 1824948258 DNKIRIFNIUSSMC-NRFANRHFSA-N 447.551 4.332 5 20 IIBD Cc1scc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)c1C 1826181770 ZFDPOACACNEOQC-SFHVURJKSA-N 445.541 4.413 5 20 IIBD O=C(Cc1ccc(Cl)cc1[N+](=O)[O-])N1CCC([C@H]2CCCCN2C(=O)C2CCC2)CC1 1826243031 ISKCSJDPJYXYLK-HXUWFJFHSA-N 447.963 4.211 5 20 IIBD C[C@@H]1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830617430 OYNJJTDPMKKYMQ-XGRCMKMKSA-N 445.535 4.403 5 20 IIBD Cc1ccc(NC(=O)COC(=O)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 9333121 RCYKOMZIWHITSY-UHFFFAOYSA-N 445.781 4.169 5 20 IIBD COc1ccc(C(=O)O[C@@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1[N+](=O)[O-] 11342117 SZEUXKVDGOMZDC-SFHVURJKSA-N 448.475 4.378 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)/C=C/c1nc2ccccc2s1)c1ccccc1[N+](=O)[O-] 16144743 SMOIAQGSBPFHNM-FMQWLBJXSA-N 439.493 4.417 5 20 IIBD C[C@@H](OC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 18026472 JJUAZKNGKQXXPU-CYBMUJFWSA-N 429.429 4.126 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(N2CCCCCC2)cc1 18219636 RXDYLIYRJCZQCG-UHFFFAOYSA-N 431.876 4.424 5 20 IIBD CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H](C)Oc1cccnc1[N+](=O)[O-] 21147266 KZUQVXIZEZYFRT-CYBMUJFWSA-N 441.465 4.301 5 20 IIBD CN(Cc1ccco1)C(=O)COC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 22713840 ZYEXCYQWUIWSIH-UHFFFAOYSA-N 444.827 4.449 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nnnn1-c1ccc(C(C)C)cc1 26409407 FHIYJLNFRCSUJH-UHFFFAOYSA-N 426.502 4.123 5 20 IIBD CC(=O)Nc1cccc(-n2c(Sc3ccc(C(C)=O)cc3[N+](=O)[O-])nnc2C2CC2)c1 26723798 WJBUJWBAAJWADM-UHFFFAOYSA-N 437.481 4.365 5 20 IIBD Cc1cc(C(=O)N(CC(=O)Nc2ccccc2F)Cc2ccccc2F)ccc1[N+](=O)[O-] 58493968 WFYLOEUQXMOCBG-UHFFFAOYSA-N 439.418 4.463 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 64331988 ZGGKJOVCJZBBQI-UHFFFAOYSA-N 447.373 4.010 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1cccc(COCc2ccco2)c1 108415062 HPPLIOHLXYCIFH-OAHLLOKOSA-N 425.441 4.352 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cccc(OC3CCCC3)c2)ccc1[N+](=O)[O-] 110321301 RGIYXNPZVYDVOI-JOCHJYFZSA-N 437.496 4.468 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1 110487190 WSZYPFNZHAPJMI-ORAYPTAESA-N 443.912 4.334 5 20 IIBD COc1ccc([C@@H](C)NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1F 115232840 BIIJREZUJCCOBJ-LLVKDONJSA-N 429.370 4.441 5 20 IIBD C[C@H]1Oc2ccc(C(=O)C3CCN(c4ccc([N+](=O)[O-])cc4Cl)CC3)cc2NC1=O 301138602 BAJWCNUITJBECN-GFCCVEGCSA-N 429.860 4.067 5 20 IIBD O=[N+]([O-])c1cc(Br)cnc1N[C@H]1CCN(c2ccccc2OC(F)F)C1 301714784 ZQIANRJZAKUERE-NSHDSACASA-N 429.221 4.045 5 20 IIBD C[C@H](c1cccnc1)N(C)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 302952559 DJEMCXGAALEIRW-CQSZACIVSA-N 436.434 4.445 5 20 IIBD Cc1c(NC(=O)C(=O)N(C)[C@H](c2ccccc2)C(C)C)cc(Br)cc1[N+](=O)[O-] 430325114 RKYZWJSELAXTJQ-SFHVURJKSA-N 448.317 4.460 5 20 IIBD C[C@@H]1C[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCN1Cc1ccccc1 430654258 PZRTYFLMMHCNQA-RHSMWYFYSA-N 432.318 4.140 5 20 IIBD Cc1ccc(-c2noc([C@H](C)N3CCN(c4ccnc5c([N+](=O)[O-])cccc45)CC3)n2)cc1 432313147 JZFKCHFAYLVQMJ-KRWDZBQOSA-N 444.495 4.385 5 20 IIBD CCOc1cc(CN2CCC[C@@H]2c2ccc[nH]2)ccc1OCCn1c([N+](=O)[O-])cnc1C 435772210 DECPRWAGNFMWLA-HXUWFJFHSA-N 439.516 4.243 5 20 IIBD O=C(NCc1ccc2c(c1)OCCCO2)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436359134 CIAOMXJIITWURL-UHFFFAOYSA-N 436.414 4.051 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 437015350 GIEATMXZPSAKRR-AULYBMBSSA-N 441.793 4.268 5 20 IIBD CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc(OC)cc1OC 437097364 NYGYGZPDMSXMDW-UHFFFAOYSA-N 442.346 4.060 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 437973270 TYDPFJKWMYJHRE-QFBILLFUSA-N 435.402 4.121 5 20 IIBD Cc1cc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])ccc1C(=O)NC(C)C 438772217 DRXZAMDDNYUBIY-UHFFFAOYSA-N 446.312 4.149 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cccc(Oc2cnccn2)c1 438783133 BJHIEAZRTAMBGK-UHFFFAOYSA-N 441.252 4.285 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N(C)[C@@H](C)c2cc(F)ccc2F)cc1[N+](=O)[O-] 439252437 ZLTYGZVCOINZHN-JTQLQIEISA-N 449.273 4.326 5 20 IIBD O=C(N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)c1ccc([N+](=O)[O-])c(O)c1 440310249 DAOUVVXTAGXNSA-OAQYLSRUSA-N 440.839 4.244 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3ncccc3Oc3ccccc3)CC2)ccc1[N+](=O)[O-] 440869082 AELIWTYFIZVRTH-UHFFFAOYSA-N 448.479 4.143 5 20 IIBD CN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 441829113 VZBLDZLAABRNGE-QZTJIDSGSA-N 435.402 4.347 5 20 IIBD C[C@@H]1CN(CCCCNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C[C@@H](C)O1 443666128 DFFNCCGXUUXUAI-QZTJIDSGSA-N 443.569 4.365 5 20 IIBD COC(=O)c1ccc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c(OC)c1 444374327 ADGTVJNVELUKOC-HUUCEWRRSA-N 441.484 4.125 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC(CO)(Cc2ccccc2)CC1 444604532 BROYWBQZMGJPAB-UHFFFAOYSA-N 437.521 4.176 5 20 IIBD CCOc1ccccc1[C@@H](CC(C)C)NC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 445123236 ZPGPOJSJTVJSIA-GOSISDBHSA-N 425.489 4.456 5 20 IIBD O=C(Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 448321251 MJUALPFXMJAQNZ-UHFFFAOYSA-N 442.357 4.237 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N(CC3CC3)C3CCCCC3)n2C[C@@H]2CCOC2)c1 461365502 KTFSMFBZHCSLLE-SFHVURJKSA-N 425.533 4.439 5 20 IIBD Cc1c(CN[C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cccc1[N+](=O)[O-] 462181187 PLDPEYOPINOVLT-JOCHJYFZSA-N 428.485 4.325 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](c1ccc(Cl)cc1)c1noc(C)n1 462606931 NBSNBMNYYRVQBG-DNVCBOLYSA-N 428.876 4.414 5 20 IIBD O=[N+]([O-])c1cc(I)ccc1N1CC[C@@H](COCc2ccccc2)C1 463085349 YPTSDCBHHXIOPE-OAHLLOKOSA-N 438.265 4.243 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2ccccc12)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 464803425 XZEAJGWQAYOMCX-LJQANCHMSA-N 434.448 4.262 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1cccc(Cl)c1Oc1cccnc1 465073119 VEXWJGJFHDNSGY-UHFFFAOYSA-N 441.827 4.388 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)N1CC[C@H](CC(C)C)C1 465309492 YCLJGLMELADDTN-QGZVFWFLSA-N 445.541 4.212 5 20 IIBD Cc1noc(C2CC2)c1NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 466882669 XQGGHBAWSWSFIU-UHFFFAOYSA-N 439.394 4.142 5 20 IIBD C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc(Cc2nnc3n2CCCCC3)cc1 467519224 AUQLXARJIFROHT-QGZVFWFLSA-N 448.527 4.333 5 20 IIBD Cc1nc(SCC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[nH]c1Cc1ccccc1 469142713 XEEWBZUHEDKRGE-UHFFFAOYSA-N 430.917 4.279 5 20 IIBD CC[C@H](Cc1ccccc1)N(CC)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 469458976 MQRPFOQOXFJHTL-GOSISDBHSA-N 425.485 4.153 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1N1CCC(CN(C)C)CC1 471219649 SQANMOSXYBSZKU-KRWDZBQOSA-N 442.585 4.492 5 20 IIBD COc1cc(NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)ccc1Br 471493161 LFUWIJHWFCQYRV-UHFFFAOYSA-N 441.303 4.246 5 20 IIBD COc1cccc(C=C2CCN([C@H](C)C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])CC2)c1 472996822 BVJWCNRJVVGCDC-MRXNPFEDSA-N 425.485 4.118 5 20 IIBD Cc1ccc(I)cc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 477925777 JNJOPUWPUFAQGY-UHFFFAOYSA-N 428.251 4.239 5 20 IIBD C[C@H](CC[S@](C)=O)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 479899239 IKFRTTXIVCDPAS-MUDIAHQHSA-N 426.947 4.286 5 20 IIBD O=C(Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1cc2c(cc1[N+](=O)[O-])OCCO2 482778671 SSXGCLBSUVBBKY-UHFFFAOYSA-N 449.391 4.343 5 20 IIBD O=[N+]([O-])c1cnc2ccccc2c1N1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 487742463 STKVLCYKLHQSKM-WAIKUNEKSA-N 428.452 4.146 5 20 IIBD C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 488898505 ONLNYSYBCDMWNQ-CQSZACIVSA-N 445.498 4.287 5 20 IIBD Cc1ccc(Oc2ccccc2NC(=O)CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 488974821 VYPYNJGUBXYIPO-UHFFFAOYSA-N 435.484 4.168 5 20 IIBD COc1c(S(=O)(=O)N(C)c2ccc(C)c(C)c2)cc(Br)c(C)c1[N+](=O)[O-] 491585595 FHDPEXSVSPONCF-UHFFFAOYSA-N 443.319 4.116 5 20 IIBD C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CC[C@@H](Nc2ccccc2)C1 495058382 JBAGMEHYOHVHJY-MAUKXSAKSA-N 437.525 4.232 5 20 IIBD O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 497629290 VNFWKQSRZUXPOK-UHFFFAOYSA-N 442.686 4.153 5 20 IIBD COc1cc(C(=O)N[C@H](COc2ccccc2F)c2ccccc2)c([N+](=O)[O-])cc1OC 500726046 RGZNCZGIHXRJNT-GOSISDBHSA-N 440.427 4.301 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C)cc1OCC(=O)N(C)C 504076969 PUGHNWKMNBIHIT-UHFFFAOYSA-N 431.514 4.125 5 20 IIBD CN(C)c1ccc(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cn1 505683065 QFHIHPLQKMXOPN-UHFFFAOYSA-N 426.860 4.432 5 20 IIBD COC(=O)Cc1sc(NC(=O)CSc2ccccc2[N+](=O)[O-])nc1-c1ccccc1 507563215 FQUIVVUIIBVBLM-UHFFFAOYSA-N 443.506 4.165 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 508256385 WULBXWDEDRASIA-UHFFFAOYSA-N 449.872 4.037 5 20 IIBD CCOc1cc(NC(=O)C2CCC(NC(=O)C3CCCC3)CC2)c([N+](=O)[O-])cc1OCC 508810546 METLZOSSQJBAPT-UHFFFAOYSA-N 447.532 4.196 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCc2ccccc2-n2ccnc2)cc1[N+](=O)[O-])c1ccccn1 509067906 KNSNZRDSZITDQF-KRWDZBQOSA-N 442.479 4.279 5 20 IIBD O=C(C1CCN(c2ccc3cccc(O)c3n2)CC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 509172669 ZMKFXRQJOWQJEQ-UHFFFAOYSA-N 446.507 4.256 5 20 IIBD COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 509861355 CBFOCIFKRFZVKX-SNVBAGLBSA-N 447.296 4.036 5 20 IIBD COCCOc1ccccc1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 512116332 SKIMNHZHALHAGQ-UHFFFAOYSA-N 430.404 4.370 5 20 IIBD O=C(NCCc1nc2cc(Cl)ccc2s1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 512229898 QJQHDJQHSOZELY-UHFFFAOYSA-N 427.873 4.016 5 20 IIBD COc1cc(C(=O)NC2(c3ccccc3)CCC2)c([N+](=O)[O-])cc1OCc1cscn1 512275252 FAJCHKXUTWZEOG-UHFFFAOYSA-N 439.493 4.448 5 20 IIBD Cc1nn(C)c(C(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)c1[N+](=O)[O-] 512575526 YQIXOBXPKLXQIM-UHFFFAOYSA-N 431.246 4.444 5 20 IIBD O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 514562581 RWFRVVITWLFEBZ-UHFFFAOYSA-N 437.374 4.024 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])N(Cc1cccnc1)c1ccc(Br)cc1 515628192 YARTXFFHUFWYGF-UHFFFAOYSA-N 442.269 4.365 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccc(F)c(NC(=O)Cc2ccccc2)c1 515659007 ZCUGASLBYFMINB-UHFFFAOYSA-N 436.443 4.274 5 20 IIBD O=C(c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1)N1CCCCCC1 515699091 FLCNNXWKASKKTB-UHFFFAOYSA-N 437.905 4.065 5 20 IIBD CSc1cccc(C(=O)N2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)c1[N+](=O)[O-] 517790759 ZTCMUSUXDQYQIG-OAHLLOKOSA-N 442.415 4.429 5 20 IIBD O=C(NC[C@@H](c1ccccc1)N1CCc2sccc2C1)c1cc(F)cc([N+](=O)[O-])c1 518284383 KDRRRVSPMUKPDP-FQEVSTJZSA-N 425.485 4.325 5 20 IIBD C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cccc(N2CCCC2=O)c1 520502954 BRWPTZMEWSYFPW-GOSISDBHSA-N 439.515 4.159 5 20 IIBD Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)s2)cc1 521706605 ZAMFCKFJBGTNMA-CQSZACIVSA-N 438.509 4.459 5 20 IIBD O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCc2sccc2[C@H]1c1cccs1 521835890 XXQSUAJEOOWZKS-IBGZPJMESA-N 437.506 4.086 5 20 IIBD CC(C)c1nc2cc(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)ccc2o1 521964776 NLXVNJHTVMCAEF-CQSZACIVSA-N 428.470 4.164 5 20 IIBD CCN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)cn1 522641243 YGQUMFURNIMXCC-UHFFFAOYSA-N 428.670 4.228 5 20 IIBD Cc1cccnc1[C@H](NC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)C 523716085 GKFCNVUHPUMZNG-QGZVFWFLSA-N 439.438 4.425 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3cc(C(C)C)nn3-c3ncccn3)cc2[N+](=O)[O-])CC1 524162669 IVOWYDPGOIRRGR-UHFFFAOYSA-N 449.515 4.183 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCC1(c2ccc(Cl)cc2)CCOCC1 534644515 PWVOJXJPEIBKTA-UHFFFAOYSA-N 427.888 4.137 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)Nc1cc2c(cc1Cl)OCO2)c1ccccc1[N+](=O)[O-] 535477406 VGGUGGRBRNRWGM-CQSZACIVSA-N 449.847 4.181 5 20 IIBD Cc1cc(N(C)C)cc(C)c1NC(=O)c1cc(I)cc([N+](=O)[O-])c1 535741375 SWDIGMZQXWDULZ-UHFFFAOYSA-N 439.253 4.135 5 20 IIBD O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cc2c(cc1[N+](=O)[O-])OCO2 540624127 WBJARNOILOVPLW-CQSZACIVSA-N 436.264 4.376 5 20 IIBD Cc1c([N+](=O)[O-])cnc(NCc2cccc(NC(=O)c3ccncc3)c2)c1Br 541577400 VGUIBNAQZPEIJK-UHFFFAOYSA-N 442.273 4.320 5 20 IIBD COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] 541999364 XEQIHWJGWCTXFN-HNNXBMFYSA-N 438.267 4.154 5 20 IIBD C[C@@H](CN(C)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1nccs1 543240467 RBOLUNGOOKJOIK-QWHCGFSZSA-N 431.543 4.237 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)Nc2ccc(-c3nnnn3C(C)C)c(F)c2)cc1[N+](=O)[O-] 543963728 QYXVXMMSLHSOFU-CYBMUJFWSA-N 427.440 4.159 5 20 IIBD Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F 545824371 PLQOKGXKPZDMQX-UHFFFAOYSA-N 445.516 4.148 5 20 IIBD CC(C)c1ccc([C@@H]2CCCN2C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 546046183 XPCBFOMJONBKJQ-NRFANRHFSA-N 445.541 4.039 5 20 IIBD CO[C@H](c1ccc(Br)cc1)c1noc(CN(C)c2ccccc2[N+](=O)[O-])n1 547222763 AUYBBDHCTDNGQF-QGZVFWFLSA-N 433.262 4.113 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)cc1 551778348 DBCGRGOVTFINMU-MOPGFXCFSA-N 442.459 4.313 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(COc2ccc(F)cc2)c1 553059778 RKXBJJBLIDIDRE-IBGZPJMESA-N 441.463 4.184 5 20 IIBD Cc1cccc(C(=O)Nc2cccc(NS(=O)(=O)Cc3ccccc3)c2)c1[N+](=O)[O-] 553648661 SSBIYVXYVGRMBJ-UHFFFAOYSA-N 425.466 4.097 5 20 IIBD O=C(NCc1ccncc1OC[C@@H]1CCOC1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 554666269 XBDTVRDNISLGRQ-QGZVFWFLSA-N 449.463 4.127 5 20 IIBD C[C@H](C(=O)NC1(c2cccc(OC(F)(F)F)c2)CCOCC1)c1cccc([N+](=O)[O-])c1 558963231 QBYWRNSWLWLHEW-AWEZNQCLSA-N 438.402 4.419 5 20 IIBD CCOc1ccccc1OCc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1C 572564369 GDJLUCSEKOCFAO-UHFFFAOYSA-N 425.489 4.116 5 20 IIBD CC(C)Oc1ccc([C@@H](CN[C@H](c2cccc([N+](=O)[O-])c2)c2nccn2C)N(C)C)cc1 577785059 SJVRVDOZSCGFPJ-DHIUTWEWSA-N 437.544 4.097 5 20 IIBD C[C@H](C(=O)Nc1ccc(C(=O)NCc2ccccn2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 578708919 KSHVILZDIFILQX-AWEZNQCLSA-N 438.871 4.315 5 20 IIBD COc1ccc([C@H](C)CCNC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 583515038 FNLAUEJOSOMTQZ-OAHLLOKOSA-N 427.501 4.149 5 20 IIBD O=C(Cc1noc(/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])s2)n1)Nc1ccccn1 583770801 WXMPPSHCOBSRGT-PKNBQFBNSA-N 433.449 4.453 5 20 IIBD Cc1cc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C)n(-c2ccc([N+](=O)[O-])cc2)n1 592946353 MYAIOVCDLHFBQR-UHFFFAOYSA-N 436.859 4.489 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1[N+](=O)[O-] 603501795 IRRIVYXADGKBNC-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD CC(C)(C)c1nc(CN2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)no1 603684399 KOFXNICCYWSFPU-UHFFFAOYSA-N 441.557 4.322 5 20 IIBD CC(C)Cc1ccc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 603820210 NOFIPECHCKXEFA-UHFFFAOYSA-N 445.522 4.335 5 20 IIBD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 604094303 FSCVDRAMSXDVIV-UHFFFAOYSA-N 430.917 4.263 5 20 IIBD COc1ccc(CNC(=O)NCC(C)(C)c2ccc(Br)cc2)cc1[N+](=O)[O-] 604105041 LGQDNAPAVRKUIT-UHFFFAOYSA-N 436.306 4.143 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)cc1[N+](=O)[O-] 604520965 PNXPCXUMNDIOHO-JXFKEZNVSA-N 438.933 4.345 5 20 IIBD CC(C)N(C)Cc1ccccc1CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl 608830962 QCFJWVFBSSOGQQ-UHFFFAOYSA-N 441.919 4.246 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1C 608980250 VLCMPHPUOPVHQP-QGZVFWFLSA-N 445.324 4.281 5 20 IIBD COc1ccc2nc(/C=C/c3cc(OC)c(OCC(=O)O)cc3[N+](=O)[O-])cc(Cl)c2c1 609323132 UWIDEBRRBJDUIM-ONEGZZNKSA-N 444.827 4.447 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1Br)Nc1ccc(OC(F)(F)F)cc1 609961631 BFPVXCJSPCPCPY-UHFFFAOYSA-N 435.152 4.273 5 20 IIBD COC(=O)c1cc(C(=O)Nc2cc(-c3ccco3)nn2-c2cccc(C)c2)cc([N+](=O)[O-])c1 609977673 FYCDDKHZHVOHDJ-UHFFFAOYSA-N 446.419 4.388 5 20 IIBD CCCc1[nH]nc(C(=O)NCC2(c3ccc(Br)cc3)CCCC2)c1[N+](=O)[O-] 609997500 NSWGCQBBSKGADJ-UHFFFAOYSA-N 435.322 4.275 5 20 IIBD CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1)CC2 610159816 MMGWSFYRPYBWIC-VQTJNVASSA-N 436.574 4.125 5 20 IIBD COc1ccc(Oc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])cn2)cc1 610194572 MJXKCTLZQJHNCF-UHFFFAOYSA-N 429.454 4.208 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCCc1c[nH]c2cc(Cl)ccc12 610666737 XXMLKRLTNNVIEJ-UHFFFAOYSA-N 436.693 4.393 5 20 IIBD O=[N+]([O-])c1ccc2ncnc(NCC3(c4cccc(Br)c4)CCOCC3)c2c1 611702915 ZJLHHINSSXEANE-UHFFFAOYSA-N 443.301 4.461 5 20 IIBD CCOc1cc(Br)c(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1OCC 612531057 YZHIDHPOMCOVBE-UHFFFAOYSA-N 425.235 4.113 5 20 IIBD C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)c1nc(-c2ccc(Br)cc2)no1 612532181 ICENKYYELWGVOI-JTQLQIEISA-N 444.245 4.399 5 20 IIBD COc1cc(CN2CCC[C@@](OC)(C(F)(F)F)C2)c([N+](=O)[O-])cc1OCC(F)(F)F 615141161 DPDMPOJOEJYVQY-HNNXBMFYSA-N 446.344 4.088 5 20 IIBD COc1ccc2ccc(OC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2c1 726497741 BSTJAGJPISFKHS-QFIPXVFZSA-N 434.448 4.275 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OCCCOc2ccc(Cl)cc2)ccc1[N+](=O)[O-] 726674186 JWNVNYVVAAMRJF-HXUWFJFHSA-N 446.887 4.174 5 20 IIBD C[C@H](OC(=O)Cc1csc(C(C)(C)C)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 726834403 GEGCJPNJKIXMLC-JTQLQIEISA-N 425.894 4.115 5 20 IIBD Cn1c(-c2cccc(OS(=O)(=O)c3c(F)cccc3[N+](=O)[O-])c2)nc2ccccc21 728296843 KGQHSAXUWYGATJ-UHFFFAOYSA-N 427.413 4.055 5 20 IIBD COc1ccc(C(=O)COC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])cc1Cl 728650356 XMTZEIBATWIOKT-UHFFFAOYSA-N 425.846 4.027 5 20 IIBD COc1ccc([C@@H]2[C@H](COC(=O)c3cc(SC)ccc3[N+](=O)[O-])CCC(=O)N2C)cc1 735785245 ULVRRCJZALXCAV-YCRPNKLZSA-N 444.509 4.092 5 20 IIBD CC[C@H](CC(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccc(C)cc1 738689758 NPVVJAXNTAWWEB-MRXNPFEDSA-N 442.468 4.130 5 20 IIBD CC1=C(C(=O)N(C)C)[C@@H](c2cc(Cl)ccc2[N+](=O)[O-])NC(=S)N1c1ccccc1 739667820 VHUKYHUWVPSIAT-GOSISDBHSA-N 430.917 4.046 5 20 IIBD CC(C)[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)Nc1ccccc1F 740423238 QLOKOHJJLFUXDR-MRXNPFEDSA-N 439.237 4.317 5 20 IIBD COc1cc(N2CCC(OC(=O)Cc3c[nH]c4ccc(Cl)cc34)CC2)ccc1[N+](=O)[O-] 740563430 XNFLYGMFDNDGBF-UHFFFAOYSA-N 443.887 4.493 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccncc1F 741376708 KXAPTYHRXXQFIC-GOSISDBHSA-N 429.791 4.319 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(Cl)cc1[C@@H](O)c1ccccc1 741753552 DRJLMUDDQPHRPC-QFIPXVFZSA-N 441.871 4.389 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Br)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 741958602 UJOQFPZMKPUJGP-MRXNPFEDSA-N 438.259 4.153 5 20 IIBD COc1ccc(C[C@H]2CCCN(C(=O)c3ccc(Br)c([N+](=O)[O-])c3)C2)cc1 743824544 OURXDDHLDQMHCV-OAHLLOKOSA-N 433.302 4.461 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)C2CCC(c3ccccc3)CC2)c([N+](=O)[O-])c1 745500996 HTPLDWRZJLDDQV-ZLPCBKJTSA-N 426.469 4.448 5 20 IIBD C[C@@H](c1ccc(F)cc1)N(C)C(=O)COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 745567785 SNNMHMNFQSEHKG-NSHDSACASA-N 428.338 4.129 5 20 IIBD Cc1ccc(CNC(=O)c2nnc(/C(Cl)=C\c3ccc([N+](=O)[O-])c(O)c3)s2)cc1 748149179 ZSINPJOAWDMCHD-RIYZIHGNSA-N 430.873 4.127 5 20 IIBD C[C@H](OC(=O)c1cccc2cnccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 748477815 JZXVCEAEKDNYMU-NSHDSACASA-N 433.342 4.346 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)[C@@H]2OCCc3ccccc32)c2ccccc2)c([N+](=O)[O-])c1 750079825 UXOREPLBPWDITG-XZOQPEGZSA-N 446.459 4.440 5 20 IIBD O=C(NC[C@@H]1CCOc2ccccc21)c1cc(Br)cc([N+](=O)[O-])c1Cl 750864003 CNXGNTJHIFXIRR-JTQLQIEISA-N 425.666 4.307 5 20 IIBD Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2ccc(Br)cc2[N+](=O)[O-])c(C)c1 750963496 DRLYSXMFRJZUBP-ZDUSSCGKSA-N 435.274 4.467 5 20 IIBD O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCCN(c2nc3ccccc3s2)C1 751644873 AVWJEHMBGFINPA-CYBMUJFWSA-N 438.465 4.306 5 20 IIBD CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)OC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] 752558005 RTCYVYGAJARBQL-GFCCVEGCSA-N 428.372 4.175 5 20 IIBD CCS[C@H](C)c1noc(COC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)n1 753435100 XFRJUIZYIZEVDV-SECBINFHSA-N 430.280 4.220 5 20 IIBD COc1cc(C(=O)Nc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)c([N+](=O)[O-])cc1OC(F)F 755425276 XYMBHQDIOPFBST-WFASDCNBSA-N 433.411 4.446 5 20 IIBD C[C@H](NC(=O)COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1ccc(Cl)c(Cl)c1 756766533 OEVVTPHFJWMLPG-JTQLQIEISA-N 436.251 4.417 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 757178049 UCYAVNWKIDACMF-LJQANCHMSA-N 427.482 4.433 5 20 IIBD CCOc1cc(NC(=O)NC[C@@H](O)c2cc3ccccc3s2)c([N+](=O)[O-])cc1OCC 758213455 BXFSBSMVTSNTLU-MRXNPFEDSA-N 445.497 4.462 5 20 IIBD Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 760167307 NFZGEYGOJZHQNT-SFHVURJKSA-N 433.940 4.498 5 20 IIBD C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1noc(-c2ccccc2)n1 761083224 BUZXADAPVDSERC-VIFPVBQESA-N 435.209 4.037 5 20 IIBD C[C@H](C(=O)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 762318197 WZKYVAOYKQHEEF-FDDCHVKYSA-N 432.476 4.342 5 20 IIBD Cc1c(Cc2noc([C@@H]3CC(=O)N(Cc4ccccc4Cl)C3)n2)cccc1[N+](=O)[O-] 762319637 KWRHERFNSQBFTG-MRXNPFEDSA-N 426.860 4.047 5 20 IIBD C[C@@H](C(=O)O[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1cccc([N+](=O)[O-])c1 763400199 VXDXIXUGWKCXBY-ACJLOTCBSA-N 434.395 4.039 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 765839179 LFRHLLLTRWPBQX-LPHOPBHVSA-N 435.546 4.349 5 20 IIBD Cc1ccc(Cl)c(N)c1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 768044032 CGKMUYBKZLHIFY-SECBINFHSA-N 445.781 4.342 5 20 IIBD CC(=O)N1CCCCC[C@H]1C1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 769402191 WPIILLUZBPBTSB-IBGZPJMESA-N 438.366 4.360 5 20 IIBD CSc1cccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c1 772483951 AMEJBYFKVMPOFU-UHFFFAOYSA-N 443.525 4.349 5 20 IIBD CC1(OCC(=O)O[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)CCC1 773212383 IFOYTVIAPHQWJU-IBGZPJMESA-N 432.860 4.430 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 773259700 BJAAXTHHLLIESZ-WMLDXEAASA-N 439.390 4.455 5 20 IIBD Cc1cc(-c2noc(COC(=O)c3sc(Br)cc3[N+](=O)[O-])n2)ccc1F 773603783 JEKCXMISHOEGDO-UHFFFAOYSA-N 442.222 4.273 5 20 IIBD C[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1CNC(=O)OC(C)(C)C 774695230 OAABLFYBNHHPNG-LRDDRELGSA-N 426.901 4.405 5 20 IIBD O=C(NCCSCc1ccnc(Cl)c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 777451176 CQXJCSZKUZRVOC-UHFFFAOYSA-N 434.930 4.430 5 20 IIBD COc1ccc(C(=O)CC(C)(C)C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 780233516 SWIZPDWEUKXIKQ-HNNXBMFYSA-N 442.468 4.081 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 781203973 SXRMZMVDOYYRDK-HNNXBMFYSA-N 438.280 4.134 5 20 IIBD CC(C)CCC[C@@H](C)NC(=O)COC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781256329 BZVQUOPWCPGILV-CQSZACIVSA-N 444.478 4.447 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 781606842 PIDXGIQZMXNVFV-GHMZBOCLSA-N 443.300 4.025 5 20 IIBD O=C(Nc1cccc(CN2CCCCC2=O)c1)c1cccc([N+](=O)[O-])c1Br 782122256 FWYIDEDIKYTVJN-UHFFFAOYSA-N 432.274 4.122 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COc1cc(OCc2ccccc2)ccc1C=O 783922131 NTUUUGURRDSMBY-UHFFFAOYSA-N 436.420 4.012 5 20 IIBD Cc1c(CC(=O)NC[C@H](C(=O)OCc2ccccc2)c2ccccc2)cccc1[N+](=O)[O-] 787367984 MIXXEDWKPMSVBB-QFIPXVFZSA-N 432.476 4.089 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 788463980 NGAJMEIONGDJIP-SNVBAGLBSA-N 427.244 4.269 5 20 IIBD Cc1cnc(COC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c(C)c1[N+](=O)[O-] 789440397 NAOFIZJPNCEAFQ-UHFFFAOYSA-N 429.436 4.211 5 20 IIBD CC1CCN(c2ccc(C(=O)O[C@H]([C@H]3CCCOC3)C(F)(F)F)cc2[N+](=O)[O-])CC1 789647764 CNUPRGPWIKJTIK-MAUKXSAKSA-N 430.423 4.345 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 791366022 FCVBVDGVPGQOBA-PMERELPUSA-N 427.457 4.017 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCc1nc([C@H](C)OCC(C)C)no1 792472856 CFPBMHUMGJHXRJ-NSHDSACASA-N 442.266 4.139 5 20 IIBD Cc1cc(OCC(=O)O[C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)ccc1[N+](=O)[O-] 797496818 GBEUUCMTNIVWFT-HNNXBMFYSA-N 447.513 4.036 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 798783660 JNAMDKJCQLTVAC-NWDGAFQWSA-N 440.374 4.296 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1sc(N2CCOCC2)nc1-c1ccccc1 799301472 SLDJGBNCRPFTAE-UHFFFAOYSA-N 446.435 4.085 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)O[C@H]2CC(C)(C)Oc3ccccc32)ccc1[N+](=O)[O-] 799434388 PBLPBALFLDTHAD-FPOVZHCZSA-N 438.480 4.353 5 20 IIBD CC(=O)c1oc2cc(C)ccc2c1CC(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 805663657 CZSHRVITINCOAU-UHFFFAOYSA-N 435.392 4.188 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)Nc2cccc3nonc23)cc1[N+](=O)[O-] 808802955 WKYXROFJXAYHOE-UHFFFAOYSA-N 434.433 4.336 5 20 IIBD O=C(COC(=O)c1c(F)cc(C(F)(F)F)cc1F)Nc1cc(Cl)ccc1[N+](=O)[O-] 811418969 RZZFIXKLUBRWHN-UHFFFAOYSA-N 438.692 4.341 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1c1ccc(Cl)cc1 812105926 UQYPVVXFXBNLLO-LJQANCHMSA-N 427.892 4.495 5 20 IIBD O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N(CCc1ccccc1)Cc1cccnc1 814995035 KPSPIRHMHUOOIC-UHFFFAOYSA-N 449.891 4.216 5 20 IIBD CCOC(=O)C1=C(C)N([C@H](C)CC)C(=O)N[C@H]1c1ccc(Br)c([N+](=O)[O-])c1 839950355 QBZXHRIQLSJJFR-HWPZZCPQSA-N 440.294 4.059 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)cc1[N+](=O)[O-] 917794056 AJRZQUXKEGRQHU-UHFFFAOYSA-N 434.836 4.103 5 20 IIBD COc1cc(-c2noc(CCC(=O)Oc3ccc(C)cc3[N+](=O)[O-])n2)cc(Cl)c1OC 918147929 MZUVYOQKJPLCQT-UHFFFAOYSA-N 447.831 4.162 5 20 IIBD COc1ccc(S[C@H](C)C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 919513092 AGNQHMFOLCFANT-NWDGAFQWSA-N 438.889 4.308 5 20 IIBD CCc1ccc([C@H](NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2F)c2cccs2)cc1 919568338 JYAMWUSIMOBHIK-NRFANRHFSA-N 442.468 4.420 5 20 IIBD CCCCc1nc(-c2cccc(OC(=O)c3cc(OC)c(OC)cc3[N+](=O)[O-])c2)no1 920227994 LNJISJNPXKHLLH-UHFFFAOYSA-N 427.413 4.224 5 20 IIBD COc1cc(CN2CCC(C(=O)c3cccs3)CC2)c([N+](=O)[O-])cc1OCC(F)F 1116512890 GXINSKMTVGXHFV-UHFFFAOYSA-N 440.468 4.404 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@H]3C[C@H]3c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] 1263377223 USOJBDAIRWEAHC-PMACEKPBSA-N 428.460 4.448 5 20 IIBD O=C(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1sc2cccc(Cl)c2c1Cl 1317878961 RLVLETQUZOYUMB-UHFFFAOYSA-N 431.278 4.235 5 20 IIBD COc1ccc(NC(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c([N+](=O)[O-])c1 1345056263 SBMHWYAHUPKWIH-CQSZACIVSA-N 435.440 4.133 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]3C3CC3)CCC2)cc1 1785792014 PNHYVGCFIYHRAU-FGZHOGPDSA-N 433.508 4.318 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C3(NC(=O)/C=C/C4CC4)CCC3)cc2)c1 1790055007 PHFUWGICZXNQCH-AWNIVKPZSA-N 448.523 4.375 5 20 IIBD C/C(=C\c1cccnc1)C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1 1791850773 CFGITGSQVFPYBM-JQIJEIRASA-N 446.463 4.434 5 20 IIBD CCCCC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(OC)cc1[N+](=O)[O-] 1800237243 CTGCXZRZBNVXNX-RSPOEFSDSA-N 445.560 4.001 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCC2(CCCN(C(=O)CCC3CCC3)C2)CC1 1805796483 HLZYXLPCFGGYQO-UHFFFAOYSA-N 445.535 4.467 5 20 IIBD C[C@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(-c2ccccc2)cs1 9352329 RFQBNZKFBHPMHB-ZDUSSCGKSA-N 443.506 4.381 5 20 IIBD C[C@H](OC(=O)Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 11069024 RDKOOAUINVABDY-JTQLQIEISA-N 430.766 4.380 5 20 IIBD O=C(COC(=O)c1sccc1-n1cccc1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 14173000 VMDSUOHJMSEPND-UHFFFAOYSA-N 439.371 4.261 5 20 IIBD COc1cc(CCNC(=O)c2cc3ccccc3c3cccnc23)c([N+](=O)[O-])cc1OC 46762751 SETOBNCKYFIKFH-UHFFFAOYSA-N 431.448 4.286 5 20 IIBD O=C(CCSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-] 59264343 PHGGGQQJJKZGTK-UHFFFAOYSA-N 446.492 4.358 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2 61157832 KVMPKXUAJWWMIE-UHFFFAOYSA-N 438.509 4.300 5 20 IIBD Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)c12 64736155 RRGHKBKHNNBOOO-AWEZNQCLSA-N 442.479 4.401 5 20 IIBD CN(C)C(=O)c1ccc(Cl)c(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 64908301 KZZULUCFZIJQAN-UHFFFAOYSA-N 430.873 4.326 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2cccc(CN3CCC(C)CC3)c2)cc1SC 97548874 NMUGWFIBCTYMHO-UHFFFAOYSA-N 443.569 4.487 5 20 IIBD Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 110322712 RORSHMKWNYDTQW-ICSRJNTNSA-N 439.512 4.239 5 20 IIBD CNS(=O)(=O)c1ccc(N[C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)c([N+](=O)[O-])c1 301205334 SFSBKLLKHNEMTB-ZDUSSCGKSA-N 446.554 4.416 5 20 IIBD C[C@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1cc2ccccc2s1 301215695 ZWOBDYBRUYCICC-AWEZNQCLSA-N 447.538 4.004 5 20 IIBD Cc1ccc(C(=O)c2ccccc2C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1C 303725309 SPRQDEHARIOOQD-LJQANCHMSA-N 444.491 4.164 5 20 IIBD COc1ccc(NC(=O)c2cc(Br)ccc2Br)cc1[N+](=O)[O-] 317924333 XHXHDWRNUNVTPV-UHFFFAOYSA-N 430.052 4.381 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cc(O)nc2c(Br)cccc12 426327673 VKSQEYMBCPCIJW-UHFFFAOYSA-N 444.285 4.364 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCO[C@@H](c2ccccc2Cl)C1 431034596 YCMHGHVCJIEUFY-MRXNPFEDSA-N 425.666 4.224 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1ccccc1Br)c1ccc([N+](=O)[O-])cc1Br 431163573 OSUKNWUDRIGOLZ-SWLSCSKDSA-N 440.091 4.406 5 20 IIBD COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 431176520 CSDWGTGGLYRHDK-UHFFFAOYSA-N 435.223 4.126 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H]1c1nc2ccccc2s1 433955479 OBHFMXBRVAIASH-KRWDZBQOSA-N 426.498 4.379 5 20 IIBD O=C(Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1)c1ccc([N+](=O)[O-])cc1O 436952388 VXXMUINOALKEBT-UHFFFAOYSA-N 427.848 4.191 5 20 IIBD O=C(C1CC1)N1CCCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 438257130 QKRNQPPYLBOOAH-UHFFFAOYSA-N 429.904 4.485 5 20 IIBD CC(=O)NC1CCC(N(C)C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 441308346 WWIHHEGJIGNOSM-UHFFFAOYSA-N 427.526 4.265 5 20 IIBD CC(C)(C)[C@@H]1CCc2nc(NC(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)sc2C1 442079248 KZYICZDOWMSOTG-CYBMUJFWSA-N 432.550 4.268 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c([N+](=O)[O-])c1 443907081 RIHLGOWABAJIDW-OAHLLOKOSA-N 449.442 4.224 5 20 IIBD Cc1cccc(N2CCC(NC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)CC2)n1 444027995 FXJDZDZAEJIYPJ-UHFFFAOYSA-N 448.473 4.062 5 20 IIBD CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 444328643 SVIWGADJYQEKAQ-ZDUSSCGKSA-N 442.462 4.153 5 20 IIBD CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 444637230 PZZYLSXYLRQSQD-UHFFFAOYSA-N 443.891 4.429 5 20 IIBD O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1sc(Br)cc1[N+](=O)[O-] 445199603 YIIMLZKPRPCVPH-UHFFFAOYSA-N 448.302 4.266 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H](c1ccccc1)c1nccs1 445866306 MAEYDZGYBDNDAK-QGZVFWFLSA-N 432.299 4.262 5 20 IIBD COc1ccc(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c(OC2CCCC2)c1 445877086 APDREWHOLLOLEH-UHFFFAOYSA-N 425.485 4.193 5 20 IIBD COc1cc(CNCC2CCN(C3CC3)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 446884865 RUMDNADOFOEYHD-UHFFFAOYSA-N 425.529 4.146 5 20 IIBD Cc1cc(=O)c(C(=O)N(C)[C@@H](c2ccc(F)cc2)C(C)C)nn1-c1ccccc1[N+](=O)[O-] 447857500 DKXWLRJQOIZCKV-JOCHJYFZSA-N 438.459 4.058 5 20 IIBD COCCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCO1)[C@H]1CC[C@H](C)C1 461863920 GHGWWMKKUQQPLK-CUWPLCDZSA-N 443.548 4.064 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@](CO)(c3ccccc3)C2)cc1 462965332 IMBMKDGUZHJFBP-RUZDIDTESA-N 448.475 4.172 5 20 IIBD O=C(Nc1cccc(CN2CCSCC2)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 463572517 DTTXZCOIMZAMTP-UHFFFAOYSA-N 425.432 4.415 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCc3c(-c4ccccc4)cccc32)cc1OC 463897072 MWGFGMNVBARNRU-UHFFFAOYSA-N 448.475 4.499 5 20 IIBD O=C(Nc1cccc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1)c1ccco1 464668010 YWXYUCXIEGNIMO-UHFFFAOYSA-N 435.436 4.124 5 20 IIBD CC[C@]1(C)CN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 468077741 GCTRBIXWPXBFGI-XMMPIXPASA-N 434.496 4.018 5 20 IIBD Nc1c(C(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)cccc1[N+](=O)[O-] 468259337 JAIICQDZYPAINL-UHFFFAOYSA-N 430.386 4.433 5 20 IIBD COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 468808752 CKLKXPCLHBFXNO-KGLIPLIRSA-N 442.921 4.010 5 20 IIBD COc1cc([C@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C(F)(F)F)cc(OC)c1OC 470130959 FBSWBLMGQARNPB-INIZCTEOSA-N 447.341 4.185 5 20 IIBD O=C([C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1C[C@H](c2ccccc2)c2ccccc21 470204106 HLLXCIYPUOPAIO-UYAOXDASSA-N 447.516 4.440 5 20 IIBD CCc1ccc(-c2noc([C@@H](C)NC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)n2)cc1 472400559 BOFJOTKMKFYQPH-CQSZACIVSA-N 446.467 4.099 5 20 IIBD COc1cc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc(-n2cccn2)c1 473646607 WDQDMHVZUREUOY-UHFFFAOYSA-N 446.413 4.406 5 20 IIBD Cc1ccc(Cl)cc1NC(=O)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 473762698 GVKCJAKZAJEOBM-UHFFFAOYSA-N 428.880 4.177 5 20 IIBD CN(Cc1cccc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1)Cc1cscn1 479862632 IXNQUSXWMSOMHH-UHFFFAOYSA-N 448.508 4.121 5 20 IIBD O=C(Nc1ncn(Cc2ccc(Cl)cc2)n1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 480136551 OZQJBDMRNOVSAQ-UHFFFAOYSA-N 440.872 4.264 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCN(c2ccc3ccccc3n2)CC1 482311467 LQMBWZXGWDHPRL-UHFFFAOYSA-N 430.386 4.124 5 20 IIBD Cc1noc(C)c1Cc1noc(-c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)n1 482735323 RCOOUHVOSVJPGY-UHFFFAOYSA-N 435.227 4.333 5 20 IIBD COc1ccc(CN(CCc2ccccn2)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 483071344 SVLGUNBPIXOLFW-UHFFFAOYSA-N 445.479 4.293 5 20 IIBD Cn1ccnc1C[C@@H]1CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 483272409 RFMHMBUHBOEOOJ-IBGZPJMESA-N 433.512 4.035 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N(Cc2ccc(F)cc2)C(C)(C)C)cc1[N+](=O)[O-] 484346989 FBAXGQSYXGWKNO-UHFFFAOYSA-N 443.504 4.455 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(CCO)Cc1ccc(Br)s1 484507015 YSEDORMCGOFBKJ-UHFFFAOYSA-N 428.308 4.062 5 20 IIBD C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1 485976952 LQYTXVNKUWAWTG-OAHLLOKOSA-N 436.472 4.074 5 20 IIBD COc1ccc([C@H]2CCCCCN2C(=O)Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)cc1 487876838 UPHKUUFIGKIVSI-HXUWFJFHSA-N 435.480 4.062 5 20 IIBD Cc1ccc(-c2noc([C@H](C)NC(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1F 487952082 ICMSXAHHVQUYBW-LBPRGKRZSA-N 447.854 4.349 5 20 IIBD CCOC(=O)c1ccnc(N2C[C@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] 488702212 IOTYNHLXIVKONU-BLLLJJGKSA-N 439.390 4.152 5 20 IIBD Cc1c(Cn2cnc3c(cnn3Cc3ccc(Cl)cc3Cl)c2=O)cccc1[N+](=O)[O-] 489780958 RWUXCVVCXSUDJX-UHFFFAOYSA-N 444.278 4.213 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCCc2cccc(O)c21 490890583 TVLLAKJFWJNTML-UHFFFAOYSA-N 433.251 4.386 5 20 IIBD COc1cc(CN2CCO[C@@H](c3ccccc3Cl)C2)c([N+](=O)[O-])cc1OCC(F)F 491250204 PZGKRLZSUJAHAM-LJQANCHMSA-N 442.846 4.474 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)cc1OC 493260050 OGODKMKYDPJPQH-GFCCVEGCSA-N 442.390 4.138 5 20 IIBD Cc1ccc(NC(=O)CS[C@H](C)C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 498154512 YFPZNOFQBQOBRR-VFNWGFHPSA-N 445.566 4.238 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CN[C@H](CO)c3ccc(Br)cc3)cs2)c1 503259545 LTELIBVNJNMYQS-QGZVFWFLSA-N 434.315 4.304 5 20 IIBD Cc1nc(CN(c2ccc(F)cc2)S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)cs1 503506388 MURAVEKSFTWFSW-UHFFFAOYSA-N 435.502 4.078 5 20 IIBD Cc1sc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)nc1-c1c[nH]c2ncccc12 503900456 ITHNBATUKSEBPS-UHFFFAOYSA-N 432.465 4.496 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc(Sc3nnc(C)s3)cc2C)cc([N+](=O)[O-])c1 505878226 QWGVKDBFTWOQFJ-UHFFFAOYSA-N 444.494 4.253 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CN(Cc2ccccc2)CCC1(F)F 506497604 YQFFUNKQYXIPPQ-OAHLLOKOSA-N 441.381 4.292 5 20 IIBD CCN(C(=O)c1cc([N+](=O)[O-])cc(I)c1C)c1ccccc1F 509157921 YQSLFXUWSHMWNF-UHFFFAOYSA-N 428.201 4.314 5 20 IIBD COc1cc(C(=O)N[C@H]2CCc3ccccc32)c([N+](=O)[O-])cc1OCc1cscn1 509876258 COCJNUXODJCNPB-KRWDZBQOSA-N 425.466 4.056 5 20 IIBD C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(F)ccc1N1CCN(C)CC1 510073320 RXOYJFSRWMPYCA-CYBMUJFWSA-N 435.887 4.022 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1cccc2ccn(C)c12 511391417 OFPPRUIHKOLODJ-UHFFFAOYSA-N 435.221 4.252 5 20 IIBD O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 511824436 JOODDGXWPZRYNR-HNNXBMFYSA-N 432.402 4.099 5 20 IIBD COc1cc(C(=O)N(C)Cc2c(F)cccc2F)c([N+](=O)[O-])cc1OCc1cscn1 511932393 SBBACPTZOVHOIQ-UHFFFAOYSA-N 449.435 4.189 5 20 IIBD C[C@H]1CCCCN1Cc1ccccc1CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 514164140 FVHGLCWISPYPMY-SFHVURJKSA-N 433.512 4.085 5 20 IIBD COc1cc(CCNC(=O)N2CCC[C@@H]2c2cccc(Cl)c2)c([N+](=O)[O-])cc1OC 515457673 NCCAIXYPPGATJF-QGZVFWFLSA-N 433.892 4.355 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCC[C@@H]1c1cccc(F)c1 515502671 HAXPRUBRYVEVIL-LJQANCHMSA-N 433.505 4.250 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2ccc3c(c2)OCCO3)n1 517458733 HCVIYSOGBWVLCV-UHFFFAOYSA-N 434.452 4.259 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCCC[C@@H]2c2nc3ccccc3n2C)c1C 517893597 IXHDVXPUQDIYJA-LJQANCHMSA-N 428.514 4.014 5 20 IIBD COc1cc(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)c([N+](=O)[O-])cc1OC(F)F 518293198 YQTMUHSEMISTCU-ZDUSSCGKSA-N 437.443 4.064 5 20 IIBD NC(=O)c1ccc(SCc2nc(-c3ccc(Oc4ccccc4)nc3)no2)c([N+](=O)[O-])c1 518876907 LAWFNPZDFDIWFI-UHFFFAOYSA-N 449.448 4.223 5 20 IIBD CCNC(=O)Nc1cccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c1 521476798 ZZIFYIJIRKGDSC-HOTGVXAUSA-N 439.516 4.471 5 20 IIBD Cc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 521765734 ZABBRLGXNBBFGC-KRWDZBQOSA-N 425.304 4.192 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H](C)C[C@H]2CCCO2)cc1[N+](=O)[O-] 522545771 HQJXJOHXGJBCPE-GOEBONIOSA-N 428.510 4.235 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N(Cc1ccccc1)CC1CCOCC1 523890371 SOVHEPFMGOFKIS-UHFFFAOYSA-N 432.904 4.473 5 20 IIBD Cn1c(Sc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)nnc1[C@@H]1COc2ccccc2O1 534144806 KQTGKCWDFSFCLW-SFHVURJKSA-N 447.476 4.449 5 20 IIBD CC(=O)c1ccc(Oc2ccc(C(=O)N3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc2)cc1 534765401 AQKCPLMHJSFKLW-IBGZPJMESA-N 446.463 4.311 5 20 IIBD C[C@H](C(=O)Nc1ccc(Cl)cc1)[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534796395 PZOVLIYMXIGXEF-XETJZTBLSA-N 433.873 4.179 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)nc(C(C)(C)C)n3C)cc1OC 534813338 QMZXLMRVWXHZOU-UHFFFAOYSA-N 426.473 4.439 5 20 IIBD Cc1ccc([C@@H](OC[C@@H](O)Cn2cc(Br)c([N+](=O)[O-])n2)c2ccccc2)cc1 535120834 MEVDDWOEIRJIRM-HKUYNNGSSA-N 446.301 4.029 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H](Oc2cccc(Cl)c2)C1 536247773 GHKXDKNSFFRBEC-CQSZACIVSA-N 425.666 4.304 5 20 IIBD C[C@@H](NC(=O)c1cc(I)ccc1Cl)c1ccccc1[N+](=O)[O-] 538238208 GQYLBNCTSYZJRA-SECBINFHSA-N 430.629 4.344 5 20 IIBD CCN1CC[C@H](N(C)Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C[C@@H]1C 538717190 JOHVJWPKNLJMDZ-RXVVDRJESA-N 427.545 4.487 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 539841991 YOPHIRKWINGPAQ-KRWDZBQOSA-N 438.528 4.267 5 20 IIBD O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 540212713 KPKIUSJSNKFYGV-CQSZACIVSA-N 435.811 4.092 5 20 IIBD Cc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1F 540663610 KJDJZEJFVQJKQH-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD C[C@H](N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)c1ccon1 542649144 USUWADOJRFIICB-SGTLLEGYSA-N 445.273 4.376 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)Nc2cccc(N(C)C)n2)cc1[N+](=O)[O-] 542921196 VORNDWNILRCKCQ-UHFFFAOYSA-N 436.493 4.261 5 20 IIBD CCN(C[C@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1)CC(F)(F)F 543280323 MLMOURQRXVRCQI-GFCCVEGCSA-N 439.887 4.073 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCNc1nn2cc(-c3cccnc3)nc2s1 543900737 VODYHZSHMGJOLL-UHFFFAOYSA-N 449.418 4.304 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@H]1c1ccc(Br)cc1 544104340 AGTRVBUHCLRNBO-KRWDZBQOSA-N 434.290 4.413 5 20 IIBD CCN(CC)CCOc1ccc(-c2noc(-c3cc(F)cc([N+](=O)[O-])c3)n2)cc1OC 544956811 WBHGGPWYUXJBDC-UHFFFAOYSA-N 430.436 4.180 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC4(CCOCC4)[C@H]3C3CC3)cc2[N+](=O)[O-])C1 561592434 DCJOBCMJKRQPNU-HYFFOGBASA-N 427.545 4.108 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCOC[C@H](C4CCC4)C3)cc2[N+](=O)[O-])n1 561746369 ROKZZDWBSILDPU-MRXNPFEDSA-N 433.555 4.400 5 20 IIBD C[C@H](NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1nc2ccccc2n1C(F)F 567205837 DZYFWAGRIZPZPQ-LBPRGKRZSA-N 431.399 4.005 5 20 IIBD Cc1ccccc1[C@H]([C@H](C)Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)N(C)C 567410194 DITCTLCNYOBVEO-BTYIYWSLSA-N 441.919 4.206 5 20 IIBD CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 569181127 OEWFPADOSMZPBR-MRXNPFEDSA-N 427.501 4.351 5 20 IIBD O=C(NCCc1nc2ccccc2o1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 569910933 LOMBCAGSAGOCOH-UHFFFAOYSA-N 446.250 4.201 5 20 IIBD CCN(C(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)c1cc2ccccc2o1 576381085 RTSHPPAQIWATQM-CQSZACIVSA-N 443.887 4.263 5 20 IIBD CSC1(CNC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)CCN(C)CC1 577448257 ITABVIVFDGGIOI-UHFFFAOYSA-N 425.620 4.290 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2csc(-c3ccccc3)n2)cc1[N+](=O)[O-] 588080382 AIGIUGDXWZAJLA-UHFFFAOYSA-N 438.494 4.250 5 20 IIBD COC(=O)c1ccsc1NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 590552221 FQCWFHBWBORYQU-GFCCVEGCSA-N 426.454 4.263 5 20 IIBD CCc1nc2ccc(C(=O)Nc3cc(C)nn3-c3ccc([N+](=O)[O-])cc3)cc2nc1CC 590771373 RGHIJOYSFDNWMQ-UHFFFAOYSA-N 430.468 4.409 5 20 IIBD COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 604040549 ILOIUZBVVTUNRE-OAHLLOKOSA-N 431.297 4.436 5 20 IIBD Cc1cccc(CN(Cc2ccccn2)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1 609154079 UREUCOOKNAFSNZ-UHFFFAOYSA-N 427.464 4.327 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2nnc(Cc3ccc(C)cc3)s2)cc1SC 609381709 NEWLNJHYDQYSHQ-UHFFFAOYSA-N 430.511 4.328 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 609793926 ZVWVCYWZZWAJEH-MRXNPFEDSA-N 441.837 4.200 5 20 IIBD C[C@H]1c2c(F)cccc2CCN1C(=O)c1ccc([N+](=O)[O-])cc1I 609978774 LUYQKELAQAOJAD-JTQLQIEISA-N 440.212 4.098 5 20 IIBD CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 610243535 IIVIRJOKQSIFHD-NRFANRHFSA-N 428.439 4.263 5 20 IIBD O=C(NCc1ccc(Cl)o1)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 610937256 XNELTVQSAOIZSU-UHFFFAOYSA-N 437.886 4.309 5 20 IIBD COc1cc(CN(C)[C@@H]2CCCc3c2cnn3C)c([N+](=O)[O-])cc1OCc1ccccc1 611276141 QKOKXUPYENILMI-HXUWFJFHSA-N 436.512 4.425 5 20 IIBD CCOc1ccc2c(c1)[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)CCO2 618828511 XTANGEWBAFDGRP-KRWDZBQOSA-N 439.390 4.335 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)ccc1[N+](=O)[O-] 725948163 PAMKHMYTSMVIJE-CYBMUJFWSA-N 428.441 4.016 5 20 IIBD CC(C)COc1ncccc1C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 728455927 CBDFROXYWHQWQQ-UHFFFAOYSA-N 435.436 4.496 5 20 IIBD O=C(COc1ccc(C2SCCCS2)cc1)OCCOc1cccc([N+](=O)[O-])c1 728723802 UBXIIKWCJTYGGU-UHFFFAOYSA-N 435.523 4.465 5 20 IIBD COc1cc(CN(C)C(=O)c2cc(C)cc([N+](=O)[O-])c2N)ccc1OCc1ccccc1 729510538 RKMDDSIOCNJDLX-UHFFFAOYSA-N 435.480 4.345 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OC2CCN(c3ccc(C(C)=O)cc3)CC2)cc1SC 730415702 YZTILYUDFQXRPK-UHFFFAOYSA-N 444.509 4.354 5 20 IIBD O=C(COC(=O)c1ccccc1OCc1cccs1)Nc1ccc(F)c([N+](=O)[O-])c1 730619579 YCSUYAFEAVRMCJ-UHFFFAOYSA-N 430.413 4.170 5 20 IIBD O=C(OCCCOc1ccc([N+](=O)[O-])cc1)c1csc(-c2ccc3c(c2)OCCO3)n1 731381836 ATAOEAOENZFIJQ-UHFFFAOYSA-N 442.449 4.115 5 20 IIBD O=C(Nc1ccc(Oc2ccc(Cl)nn2)cc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 733244745 QTTPRHHXPAIYNC-UHFFFAOYSA-N 436.815 4.269 5 20 IIBD CN1C(=O)CC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H]1c1ccc(C(F)(F)F)cc1 734388953 MEOYVLQYQCAVJP-KBXCAEBGSA-N 439.365 4.301 5 20 IIBD CC(=O)N[C@H](CC(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Cl)cc1 735444270 YEPCTIMDWHRNAD-LJQANCHMSA-N 443.843 4.214 5 20 IIBD CN(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)CC1(c2ccc(Br)cc2)CC1 741240078 HCRBPOKRWCGWJJ-UHFFFAOYSA-N 442.317 4.237 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)cc1[N+](=O)[O-] 742029280 FGVLDSPMNVXQMI-UHFFFAOYSA-N 438.824 4.079 5 20 IIBD COc1ccc(C(=O)OCc2ncc(-c3cccc(Br)c3)o2)cc1[N+](=O)[O-] 744494049 RTIIKNAAXQDIHO-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD O=C(OCc1nnc(-c2cccc(F)c2)o1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 744895979 ZFKCIZNXHXBQEN-UHFFFAOYSA-N 426.385 4.264 5 20 IIBD C[C@@H](OC(=O)c1cc2cc(C(F)(F)F)ccc2n1C)C(=O)Nc1cccc([N+](=O)[O-])c1 745629549 GPPCJJBUPRFPJF-LLVKDONJSA-N 435.358 4.289 5 20 IIBD COc1cc(C)c(Br)cc1S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 747596677 QPBBPHJZGPUWSN-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD O=C(Nc1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1)c1cccs1 749156894 JAQXWDWSWDVGDB-UHFFFAOYSA-N 437.886 4.363 5 20 IIBD O=[N+]([O-])c1cccc([C@H](O)CSc2nnc(-c3ccccc3F)n2Cc2ccco2)c1 749691201 ZAAKPLIMTWDQSS-LJQANCHMSA-N 440.456 4.459 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)Cc1csc(-c2ccc(F)c(F)c2)n1 750161491 OPAKCOPCWNESPK-UHFFFAOYSA-N 447.419 4.029 5 20 IIBD Cc1cccc(-c2ccc(CNC(=O)c3c4c(cc([N+](=O)[O-])c3[N+](=O)[O-])OCCO4)cc2)c1 751277397 HSZLNTLBDYKAEY-UHFFFAOYSA-N 449.419 4.180 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 752103628 TWNZFNPLEJWGLN-QFBILLFUSA-N 439.468 4.010 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c(C)c1 753430109 DXTYHAUFLBOYNQ-ZDUSSCGKSA-N 435.274 4.467 5 20 IIBD C[C@H](C(=O)OCC(=O)Nc1ccc(N2CCCCCC2)cc1)c1ccc([N+](=O)[O-])cc1F 755060793 GHTOIQPQXBHGBV-INIZCTEOSA-N 443.475 4.400 5 20 IIBD Cc1ccc(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1 758417906 YGVGLXQFLVUZLN-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD CCc1ccc(N(C(C)=O)c2nc(COC(=O)c3cccc([N+](=O)[O-])c3N)cs2)cc1 758954761 CJTDXAZHOFTFDA-UHFFFAOYSA-N 440.481 4.238 5 20 IIBD CCN(C(=O)c1cccc([N+](=O)[O-])c1Br)[C@@H]1CCN(Cc2ccccc2)C1 759153081 GQVXCRDFULNFNM-MRXNPFEDSA-N 432.318 4.094 5 20 IIBD CC(C)Oc1ccc(N(C)C(=O)c2ccc(I)c([N+](=O)[O-])c2)cc1 759929432 VXQSECMLEQBNEU-UHFFFAOYSA-N 440.237 4.263 5 20 IIBD CC(C)n1ncc2c(C(=O)O[C@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)cc(C3CC3)nc21 759935549 SEDFHBVSYDNCRI-OALUTQOASA-N 438.488 4.335 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1(c2ccc(F)cc2)CCOCC1 760504205 NKOVBOJBZNNIQQ-UHFFFAOYSA-N 426.400 4.181 5 20 IIBD CCn1c(SCC(=O)OCCc2ccccc2[N+](=O)[O-])nnc1-c1ccccc1C 762698670 BIVIYUPPRNYPEE-UHFFFAOYSA-N 426.498 4.060 5 20 IIBD O=C(Nc1ccc(Cl)cc1OC(F)F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 762957686 CAAKBFKDONHTCL-UHFFFAOYSA-N 426.807 4.204 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(=O)Nc1cccc(Br)c1 763720494 VVGFORHOMKSKMA-SECBINFHSA-N 427.638 4.195 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1nc(-c2ccc(Cl)cc2)no1 763742413 ALWVFQCWRMARNP-LLVKDONJSA-N 449.872 4.301 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)N(C)[C@H](C)c1ccccc1OC 763810162 IFOKRCFPRXPUJF-CQSZACIVSA-N 432.498 4.092 5 20 IIBD C[C@@H](Nc1ccc(C(=O)OCc2nncn2-c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 764381698 HRJDRVLMUHXOGT-MRXNPFEDSA-N 444.451 4.101 5 20 IIBD CN(Cc1c(Br)cccc1[N+](=O)[O-])C1CCN(C(=O)c2ccccc2)CC1 769234514 UAXIKDMWNLJZSD-UHFFFAOYSA-N 432.318 4.094 5 20 IIBD COc1cccc(C(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 769605957 WZGDFPDUSUUUAY-WDEREUQCSA-N 441.267 4.333 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCC1CCC(C(F)(F)F)CC1 770330744 PEJLINKOFCQITE-UHFFFAOYSA-N 430.379 4.195 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@@H](C)[C@@H](O)c2ccc(F)cc2)cc1[N+](=O)[O-])c1ccccn1 771663503 GLRNSQSSVCULLU-AYSMAOOMSA-N 438.459 4.154 5 20 IIBD Cc1ccc(NC(=O)COC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1Cl 773602295 JVTBDSFDQRTQGD-UHFFFAOYSA-N 433.667 4.176 5 20 IIBD COc1ccc2nc(Cl)c(C(=O)O[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2c1 775016345 XUUZBPYTRVYYOY-GFCCVEGCSA-N 443.843 4.297 5 20 IIBD CCN1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)cc2)CC1 775475923 ZFNACJXOSVEHMD-UHFFFAOYSA-N 428.558 4.490 5 20 IIBD Cn1cc(COC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nn1 776387292 RVRWYTIFFAXEHR-UHFFFAOYSA-N 438.387 4.250 5 20 IIBD C[C@@H](OC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 778167016 XTEHRKUXNALYER-CYBMUJFWSA-N 448.422 4.486 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1csc(Cc2cccc(F)c2)n1 780184922 OKTKEFDFFWIYLO-UHFFFAOYSA-N 440.412 4.188 5 20 IIBD O=C(COC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccc(Br)cc1 781259811 IWLDWSIEGSBXAE-UHFFFAOYSA-N 436.261 4.484 5 20 IIBD O=C1/C(=C/c2ccc([N+](=O)[O-])cc2Cl)NC(=S)N1c1ccc(OC(F)(F)F)cc1 783689867 XZIYBSZSIBATLQ-AUWJEWJLSA-N 443.790 4.409 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])c(F)c1)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 783907568 JCIIKUXUZVLPCP-GOSISDBHSA-N 443.258 4.157 5 20 IIBD O=C(COC(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)NC1CCOCC1 785643152 QVOBQRMLAXFVJE-UHFFFAOYSA-N 443.499 4.385 5 20 IIBD Cc1coc(-c2cc(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)ccc2C)n1 790400703 ZUZCFWXUYWATKS-UHFFFAOYSA-N 446.441 4.192 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Oc1cccc(-c2nccs2)c1 790459464 FRKFHFYITIYNNN-UHFFFAOYSA-N 441.284 4.249 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc(-c2cccnc2)nc2ccccc12 792204129 UDFQFGJSLCKRBR-UHFFFAOYSA-N 430.376 4.470 5 20 IIBD C[C@H](C(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CCO2)c1cccc([N+](=O)[O-])c1 794827867 QHSHYPBVZDJDTO-HNNXBMFYSA-N 441.484 4.467 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Oc1cccc(Oc2cnccn2)c1 795210912 ZWKQTEMFOKEXJW-UHFFFAOYSA-N 441.343 4.263 5 20 IIBD CCC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c1 795302777 IUKCGHPSRPCEKY-UHFFFAOYSA-N 436.248 4.190 5 20 IIBD C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O 798170958 LXNYSHHESOOGNR-LBPRGKRZSA-N 449.294 4.496 5 20 IIBD O=C(c1ccc(Br)c([N+](=O)[O-])c1)N(CCc1ccccn1)Cc1ccncc1 798219000 BADAYIJGLVAIHW-UHFFFAOYSA-N 441.285 4.032 5 20 IIBD CCOC(=O)N1[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2OCC)CC[C@@H]1c1ccc(C)o1 798542131 ICABTOHOPOZGSM-SJORKVTESA-N 431.445 4.196 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 800144005 KBJJVSAWJSEDNA-UHFFFAOYSA-N 432.411 4.053 5 20 IIBD CSc1ccc(C(=O)OCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)cc1[N+](=O)[O-] 800978439 KDDBESWNMMKJDT-UHFFFAOYSA-N 449.428 4.096 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(Oc3c([N+](=O)[O-])cccc3[N+](=O)[O-])cc2)cc1 804326174 KIOZMAIVHOGQIX-UHFFFAOYSA-N 429.410 4.405 5 20 IIBD C[C@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(S[C@@H]2CCCCNC2=O)cc1 809047649 XNLAAIYEIXMTKH-MGPUTAFESA-N 428.510 4.203 5 20 IIBD CC(C)c1ccc(C(=O)OCc2cc(I)cc([N+](=O)[O-])c2)nc1 811037356 RHZUAEIICRBKJM-UHFFFAOYSA-N 426.210 4.075 5 20 IIBD COc1ccc(C(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])nc1Br 811085692 XGTOLBYFQFMKFC-UHFFFAOYSA-N 436.045 4.425 5 20 IIBD C[C@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(Br)c1 812609427 IJLFNFMERWGXHG-JTQLQIEISA-N 441.665 4.296 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1CC 813292013 IGEBNKKEKZFBFC-OKILXGFUSA-N 442.472 4.477 5 20 IIBD Cc1cc(Cl)c(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1[N+](=O)[O-] 815405278 QBOPJIXANWVMKK-SNVBAGLBSA-N 432.776 4.433 5 20 IIBD Cc1ccc2c(c1)[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br)CCC2 815731998 AAMFUESPJSNCLP-MRXNPFEDSA-N 446.301 4.106 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 816508988 AQQYVHREJRKAQS-UHFFFAOYSA-N 437.252 4.471 5 20 IIBD Cc1c(C(=O)N[C@H](C)c2ccc(C(F)(F)F)nc2Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] 817856769 JECHXVYDXVACNH-MRVPVSSYSA-N 432.742 4.370 5 20 IIBD C[C@@H](OC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(Cl)ccc1F 856620138 BDOPXXBOGLHRTD-GHMZBOCLSA-N 426.853 4.438 5 20 IIBD CC(C)[C@@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)N1C[C@@H](C)C[C@@H](C)C1 876752956 DUFICKSVKNCJIO-IIYDPXPESA-N 441.322 4.043 5 20 IIBD Cc1c(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1-c1ccc(F)cc1 914628367 KJYGXXXBTFOURK-ZDUSSCGKSA-N 437.387 4.196 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] 914744353 TVQPJFZLGYWDLW-NXEZZACHSA-N 443.300 4.451 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)OCc2cc(Cl)cc3cccnc23)cc1OC 914898665 SMLCSEVWJKQBGU-UHFFFAOYSA-N 446.843 4.187 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCc1cncc(Br)c1 915168513 DFTZUKDSUNLYGZ-UHFFFAOYSA-N 448.195 4.317 5 20 IIBD Cc1nc(Cc2ccccc2)sc1C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 915446937 PHEVGZJWMMUVPR-HNNXBMFYSA-N 439.493 4.443 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1nc(NCc2ccco2)ncc1Cl 915867698 ABMDDPZLDQZVJE-UHFFFAOYSA-N 439.762 4.097 5 20 IIBD O=[N+]([O-])c1ccccc1CN(Cn1nc(-c2ccncc2)oc1=S)CC(F)(F)F 917451032 RKYJZLJXOIWJQF-UHFFFAOYSA-N 425.392 4.198 5 20 IIBD O=C(OCc1nc(-c2ccc(Cl)cc2)no1)c1cc([N+](=O)[O-])ccc1N1CCCC1 917901944 YZTRICJKIFBZMN-UHFFFAOYSA-N 428.832 4.255 5 20 IIBD CCCCc1nc(-c2ccc(OC(=O)c3cc(OC)c(OC)cc3[N+](=O)[O-])cc2)no1 920146778 IGKAMMUYMBDQTD-UHFFFAOYSA-N 427.413 4.224 5 20 IIBD C[C@H](OC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1 920779110 PRKLSKBXOBDLTJ-QWRGUYRKSA-N 427.240 4.239 5 20 IIBD Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cs1 1116079363 HFKXVOFXRNTBAH-UHFFFAOYSA-N 432.461 4.483 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(C(=O)c2ccccc2)C1 1116511758 BGCGIYPTLRRADG-QGZVFWFLSA-N 427.526 4.132 5 20 IIBD Cc1ccc(CN2CCCN(C(=O)c3cccc([N+](=O)[O-])c3Br)CC2)cc1 1255823667 KASVQWHINRFWRF-UHFFFAOYSA-N 432.318 4.014 5 20 IIBD O=[N+]([O-])c1ccc(/C(O)=C(/C(=S)Nc2cccc(F)c2F)[n+]2cccc(O)c2)cc1 1319630300 YOHIQWHXBGYJLO-UHFFFAOYSA-O 430.412 4.189 5 20 IIBD Cc1cccc(NC[C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)n1 1321972878 MZPFHFKLIISEAJ-CQSZACIVSA-N 433.306 4.086 5 20 IIBD Cc1nn(Cc2ccc(-c3nnc([C@@H]4COc5ccccc5O4)o3)cc2)c(C)c1[N+](=O)[O-] 1326049546 HDXJFHHBQYMETA-IBGZPJMESA-N 433.424 4.019 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc1[N+](=O)[O-])c1ccccn1 1330115670 VNBVFXOHWJORQM-CQSZACIVSA-N 433.424 4.227 5 20 IIBD Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1F 1823614296 WVCUSLNCFJEKDQ-IBGZPJMESA-N 443.475 4.182 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC2CCC2)CC1 1832835643 CWLAGUHYGGCZPS-NRFANRHFSA-N 445.535 4.466 5 20 IIBD Cc1scc(C(=O)N2CCCC23CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)C3)c1C 1842555059 URKVSFSFBYRGRI-UHFFFAOYSA-N 447.944 4.366 5 20 IIBD CCCc1ccc(C(=O)N2CCCC23CN(C(=O)c2c(F)ccc([N+](=O)[O-])c2C)C3)cc1 1844978867 IPUFWNGJKUDBSF-UHFFFAOYSA-N 439.487 4.126 5 20 IIBD CC(=O)CCc1ccc2oc(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3F)c(C)c2c1 8877933 IWFFNWPZMBFVPE-UHFFFAOYSA-N 442.399 4.106 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1OC(C)C 9055894 UQJTZDPGSZPXPO-LBPRGKRZSA-N 436.848 4.228 5 20 IIBD O=C(COC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)Nc1cc([N+](=O)[O-])ccc1Cl 11493453 HWPXWCUHZSBQGF-UHFFFAOYSA-N 435.223 4.087 5 20 IIBD Cc1cccc(OCc2nnc(SCC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])o2)c1 12673667 PXYYKOCHYMUBJB-UHFFFAOYSA-N 434.861 4.249 5 20 IIBD C[C@@H]1CC(=O)c2c(Oc3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])ccc(F)c21 15141305 XGKWCNSSYUWIFZ-CYBMUJFWSA-N 448.472 4.391 5 20 IIBD C[C@@H](Sc1nc2ccccc2c(=O)n1C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 18964495 HMODRIKGZQHBGY-LLVKDONJSA-N 444.900 4.412 5 20 IIBD COc1ccc(C(=O)O[C@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)cc1[N+](=O)[O-] 22836444 RWNRUKSJXBHEER-OAHLLOKOSA-N 426.425 4.091 5 20 IIBD COC(=O)c1ccc(CN(C)C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1 30211923 CYLQVDCPOQYRCV-UHFFFAOYSA-N 433.464 4.266 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2c(C)cnn2Cc2cc(F)ccc2F)cc1OC 63830281 MGIJCOHXIBDSER-UHFFFAOYSA-N 446.410 4.086 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl 69231169 OQHJZKVQXLITRB-ZJUUUORDSA-N 428.247 4.036 5 20 IIBD Cn1cc(CNCCc2nc(-c3ccc(Cl)cc3)no2)c(-c2ccc([N+](=O)[O-])cc2)n1 237762864 MDYBHAAZZUEOGD-UHFFFAOYSA-N 438.875 4.031 5 20 IIBD Cc1ccc(NC(=O)NC[C@H]2CCCN(c3ncc(Br)cc3[N+](=O)[O-])C2)cc1 301686642 LZNYAGILHRYRCR-CQSZACIVSA-N 448.321 4.099 5 20 IIBD CSc1nc2ncnc(Oc3ccc(I)cc3[N+](=O)[O-])c2s1 302423395 JQYOFYCUCBZNOM-UHFFFAOYSA-N 446.251 4.113 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)N(C)Cc2cc(Br)cs2)cc1[N+](=O)[O-] 320516604 LOIIECFFTCDSRN-UHFFFAOYSA-N 439.740 4.201 5 20 IIBD O=C(Nc1cccc(Cl)c1N1CCOCC1)c1ccc(Br)cc1[N+](=O)[O-] 429956400 UWPDOXYLKDSUHS-UHFFFAOYSA-N 440.681 4.100 5 20 IIBD Cn1cc(CN(Cc2ccc(Cl)cc2)C(=O)CSc2ccc([N+](=O)[O-])cc2)cn1 431248207 HIOFRCRMEFXIGI-UHFFFAOYSA-N 430.917 4.303 5 20 IIBD O=C(Cc1noc(-c2cc(Br)cc([N+](=O)[O-])c2)n1)Nc1ccc(Cl)cc1 431332732 NGVSYPLOYIRBHQ-UHFFFAOYSA-N 437.637 4.242 5 20 IIBD O=C1CN(Cc2ccc(C(F)(F)F)cc2)C(=O)N1CCc1ccc(Cl)cc1[N+](=O)[O-] 431730568 VZMMNFCRTMDDGB-UHFFFAOYSA-N 441.793 4.274 5 20 IIBD CN1C(=O)c2cc(Br)ccc2N[C@@H]1c1cc([N+](=O)[O-])ccc1OC(F)F 433389425 XDYFAKMISQETGQ-AWEZNQCLSA-N 428.189 4.155 5 20 IIBD CC[C@](C)(COc1ncccc1Cl)NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] 435460209 QKQAMQPDKQFXAS-LJQANCHMSA-N 439.921 4.351 5 20 IIBD CCN(CC)C(=O)Cc1ccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1 436078692 AVFFOKOQRJWBBY-UHFFFAOYSA-N 445.494 4.484 5 20 IIBD O=C(NCCc1ccc2ccccc2n1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436248900 UHQRFWKTKJUDPO-UHFFFAOYSA-N 429.426 4.480 5 20 IIBD Cc1nn([C@H](C)C(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)cc1[N+](=O)[O-] 436473040 CTDPWNWJYINMFM-CXAGYDPISA-N 427.848 4.285 5 20 IIBD C[C@H]1CSc2ccccc2N1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 439140524 KBQIWZZTXRTWNC-JTQLQIEISA-N 429.317 4.047 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCO[C@@H](c4ccco4)C3)cc2[N+](=O)[O-])n1 440628412 VTODSZMQWCDBFD-MRXNPFEDSA-N 431.495 4.318 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 443532897 PARXHMGXUHPMHX-LJQANCHMSA-N 425.485 4.149 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c1C 443726920 ZAUOZXDGIYPVND-AWEZNQCLSA-N 433.461 4.060 5 20 IIBD O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cc1 443965146 MCRROXKIRJVIJE-HNNXBMFYSA-N 440.802 4.153 5 20 IIBD CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)CCNc1ccccc1[N+](=O)[O-] 444339505 GBKGVLKBBKVNNU-UHFFFAOYSA-N 442.516 4.049 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 446489425 YPCOEVDEENSSDV-CQSZACIVSA-N 433.306 4.314 5 20 IIBD C[C@@]1(c2ccc(Cl)s2)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1=O 448097878 RISWXAVCOXAAIL-HNNXBMFYSA-N 433.795 4.296 5 20 IIBD Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)[C@@H](C)CO1 460399734 JJUYZCNJEWPFIC-SBUREZEXSA-N 448.523 4.367 5 20 IIBD CCSCC[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCO1 461688543 XHAFUMNYPRZGIZ-VQIMIIECSA-N 433.578 4.390 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 462427442 LOWDTZVMZABTBW-SFHLNBCPSA-N 439.556 4.089 5 20 IIBD O=C(c1cccnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)N1CCc2ccccc21 462946473 REICFROCTYZGPM-UHFFFAOYSA-N 444.491 4.241 5 20 IIBD COc1cc([C@H]2Nc3ccc(Cl)cc3C(=O)N2c2ccncc2)cc([N+](=O)[O-])c1O 463012079 PKJLCLMPLLIXTM-IBGZPJMESA-N 426.816 4.129 5 20 IIBD CC1(C)CN(C2(CNC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CCCCC2)CCO1 463759996 LRPPSNPQQSSLFW-UHFFFAOYSA-N 443.466 4.157 5 20 IIBD COc1ccc(-c2noc(CSCc3cc(OC)c(F)cc3[N+](=O)[O-])n2)c(OC)c1 464082539 PUHZEIBXEUFIQL-UHFFFAOYSA-N 435.433 4.243 5 20 IIBD C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C1 464232084 HTZHCLBRLPTQRB-DYVFJYSZSA-N 441.488 4.237 5 20 IIBD COc1cc(CCNC(=O)N2CCC(=Cc3ccccc3F)CC2)c([N+](=O)[O-])cc1OC 465216739 QPPDQEYTORVCCI-UHFFFAOYSA-N 443.475 4.183 5 20 IIBD CC(=O)NCC1CCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC1 466628519 QLQGXLSNWDTYTL-UHFFFAOYSA-N 447.944 4.388 5 20 IIBD Cc1c(NC(=O)C(=O)N(C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] 471187124 OKNCPQNGYPEPAV-LLVKDONJSA-N 440.283 4.074 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N(Cc2ccc(OC)cc2OC)C(C)(C)C)cc1OC 472485872 ONQVDUBHYWUMNC-UHFFFAOYSA-N 446.500 4.460 5 20 IIBD Cc1cc(NC(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)ccc1[N+](=O)[O-] 473770188 RIWFQHFHMVYJCT-UHFFFAOYSA-N 428.452 4.473 5 20 IIBD CC(C)CCSc1ccc(C(=O)N(C)[C@@H](CC(N)=O)c2ccccc2)cc1[N+](=O)[O-] 478196461 UWSPUVSKTGOYCF-SFHVURJKSA-N 429.542 4.422 5 20 IIBD C[C@H]1CCCCN1CCC1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 478606850 FNXHKKADQWMGHA-HNNXBMFYSA-N 438.366 4.474 5 20 IIBD O=C(NCc1cccc(COCc2ccccc2)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 480323584 YFPLSFNQSIJPBP-UHFFFAOYSA-N 442.475 4.427 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)c1C 481614596 LMJREFDYZJMCAN-GDLZYMKVSA-N 444.534 4.320 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCN(Cc2cccnc2)CC1 482000651 UWHOBBLQKUUPEK-UHFFFAOYSA-N 434.521 4.099 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1ccc(Cl)cc1Cl 485381097 PMXQCOPQZWFYFV-UHFFFAOYSA-N 426.075 4.465 5 20 IIBD CSc1cccc(C(=O)N[C@H](C)[C@H](OC2CCOCC2)c2ccccc2)c1[N+](=O)[O-] 486418039 RVNABMQRWRLUMS-VFNWGFHPSA-N 430.526 4.372 5 20 IIBD CC[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)c1cc(F)cc(Br)c1 486714026 CQRBHJPPPJGXBK-HNNXBMFYSA-N 438.253 4.011 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)Nc2ccc(C)cc2)CC1 487770805 JUHGMCBIHIYUGK-UHFFFAOYSA-N 428.514 4.005 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1[N+](=O)[O-] 488032413 GOSKNEWNJVNUIB-GCJKJVERSA-N 431.492 4.122 5 20 IIBD CN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 488260492 DSCQXDLWBHMZGK-UHFFFAOYSA-N 446.290 4.311 5 20 IIBD COC(=O)c1cc(C)nc(N2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)c1[N+](=O)[O-] 488480315 PIIACVYWMLUTCU-BLLLJJGKSA-N 439.390 4.070 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])NCC1(c2ccc(Cl)cc2Cl)CCOCC1 500841718 PHGPOIBDPHKPEF-UHFFFAOYSA-N 439.295 4.145 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1 502181189 PJOSVKKCKZZWLK-UHFFFAOYSA-N 429.476 4.131 5 20 IIBD COc1cc([C@H](C)NC(=O)NCCNc2ccccc2[N+](=O)[O-])ccc1OC1CCCC1 502576704 WWIYFQJQUILRIG-INIZCTEOSA-N 442.516 4.397 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(O[C@H]3CCCC[C@@H]3O)cc2)cc1SC 505225660 SSTJTJMYLINPMH-ROUUACIJSA-N 432.498 4.260 5 20 IIBD CCC(CC)(CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1ccc(Cl)cc1 507075138 AMUGUFAOXBSNMB-UHFFFAOYSA-N 438.933 4.140 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(Br)cc1F 507248906 YQBQFOVJGBMXMI-QWRGUYRKSA-N 440.269 4.183 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCOC[C@H]2c2nc3ccccc3s2)cc1[N+](=O)[O-] 507588029 SXGQCUQWWSANDO-KSSFIOAISA-N 426.498 4.357 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1 510066310 QELYKFHVYXEGSR-UHFFFAOYSA-N 448.545 4.066 5 20 IIBD Cc1ccc(C(=O)Nc2ccccc2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C 511148992 BAKVAOHSKPACDU-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3ccccc3Cn3ccnc3)cc2[N+](=O)[O-])C1 513838766 XOGYLQTZNOFGJK-KDURUIRLSA-N 447.539 4.252 5 20 IIBD O=c1c2cc([N+](=O)[O-])ccc2ncn1Cc1csc(-c2ccc(Br)cc2)n1 515363748 NNUHCKZXVPRUTD-UHFFFAOYSA-N 443.282 4.239 5 20 IIBD C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 515518416 DECVAGVZEINEIT-CQSZACIVSA-N 443.456 4.026 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 516047442 FJMSCCLSKKCHRQ-OAHLLOKOSA-N 447.451 4.055 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(NC(=O)CN2CCCC[C@H]2C)ccc1F 520012680 UNKGAVRVAYWHQW-OAHLLOKOSA-N 428.464 4.108 5 20 IIBD Cc1nn(CCC(=O)Nc2nc3c(s2)C[C@@H](c2ccccc2)CC3)c(C)c1[N+](=O)[O-] 523278950 JGGTYQBUNQFFKN-INIZCTEOSA-N 425.514 4.166 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)N[C@@H](CC2CCCCC2)c2ccccc2)cc1[N+](=O)[O-] 523849644 YQEKRHRPBDUGAZ-IBGZPJMESA-N 430.526 4.440 5 20 IIBD COc1cc(C(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)c([N+](=O)[O-])cc1OC(F)F 524605499 LWVXSPHLZTWCKO-VIFPVBQESA-N 429.445 4.450 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@H]3CCC[C@H](C)C3)cc2)cc1[N+](=O)[O-] 525522819 BROUBFGZJANBLK-HOCLYGCPSA-N 431.514 4.469 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)[C@@H]1CCSc2ccccc21)c1ccccc1[N+](=O)[O-] 525651720 UOISXCWGCAEKLB-SJLPKXTDSA-N 428.510 4.373 5 20 IIBD CCOc1cc(C(=O)Nc2cccc3c2CN(c2nccs2)C3)c([N+](=O)[O-])cc1OC 534001052 TWSKGGIUXKEUFR-UHFFFAOYSA-N 440.481 4.231 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCc2cc(F)c(F)cc21 534236554 YAPZOFSAYWGIPA-UHFFFAOYSA-N 436.436 4.121 5 20 IIBD Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 535198094 VONSVNJWTJJOQU-LBPRGKRZSA-N 438.937 4.086 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 535381253 BTUMXHYORLWDNN-ACJLOTCBSA-N 446.410 4.381 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccc(OC)cc2)ns1 535719675 MODDOSQUJCVDKY-UHFFFAOYSA-N 446.510 4.113 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2nnc3ccccn23)C1 537586225 JGZCCNQFRDLYRE-HNNXBMFYSA-N 425.514 4.158 5 20 IIBD C[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OCC(F)(F)F)cc1 538163201 SASCUEGHSXKVQF-NSHDSACASA-N 431.798 4.479 5 20 IIBD COc1ccc(CN[C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1[N+](=O)[O-] 539703092 DKBXDSXBNDOXFS-JOCHJYFZSA-N 444.484 4.025 5 20 IIBD C[C@@H](NC(=O)N1CCCC[C@@H]1CNC(=O)Nc1ccccc1)c1cccc([N+](=O)[O-])c1 542088618 FITAJQVDFPPABS-OXQOHEQNSA-N 425.489 4.042 5 20 IIBD Cc1c(C)n(C[C@H]2CCCO2)c2ncnc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)c12 543389412 LYUMHPSDBWALFN-MRXNPFEDSA-N 429.864 4.041 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC(Oc2cccc(Br)c2)CC1 543697715 RQTJKZGRAGFWRN-UHFFFAOYSA-N 434.290 4.110 5 20 IIBD O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1SC1CCCC1 544558954 USOUXYFQGKKDBE-UHFFFAOYSA-N 449.554 4.225 5 20 IIBD O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C\c1ccc(OCC(F)(F)F)c(F)c1 544638159 MRGQQYAMODJSCA-KPKJPENVSA-N 435.333 4.329 5 20 IIBD COc1cc(Cc2noc([C@@H]3CC(=O)N(c4cccc5ccccc45)C3)n2)ccc1[N+](=O)[O-] 545774265 CVXMLEBESMHKLX-QGZVFWFLSA-N 444.447 4.251 5 20 IIBD O=C(NCc1ccc(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)cc1)c1cccs1 546378219 XCLFERBKMNKAFD-UHFFFAOYSA-N 449.492 4.291 5 20 IIBD Cc1cc(C2CCN(C(=O)c3ccc(N4C[C@H](C)C[C@@H](C)C4)c([N+](=O)[O-])c3)CC2)n[nH]1 546860284 NYGLGBYQVKKVAU-HZPDHXFCSA-N 425.533 4.128 5 20 IIBD CC(C)Oc1ccc([C@@H](CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 554038226 CXLJSKVAJPEJFU-IIBYNOLFSA-N 431.558 4.282 5 20 IIBD CCOc1cc(NC(=O)NCc2cc(-c3ccccc3)on2)c([N+](=O)[O-])cc1OCC 555335628 RTQIJQOMPPZSRZ-UHFFFAOYSA-N 426.429 4.369 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CC[C@@H](N4CCCCC4)C3)n2Cc2cccs2)c1 555437410 UNSHGZURIHHWRF-LJQANCHMSA-N 438.557 4.028 5 20 IIBD CC(C)n1cnnc1CN(C)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 558162775 JPWXKNPQYKJSCY-UHFFFAOYSA-N 429.864 4.485 5 20 IIBD C[C@H](NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1c(F)cncc1F 563829330 DGCSQGVUISGWHS-QMMMGPOBSA-N 442.209 4.252 5 20 IIBD CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](c2cccc(F)c2)C1 563977421 GESDMTXKOXTSEV-LJQANCHMSA-N 439.491 4.413 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](COCC(C)C)c1ccco1 569350510 YWIFDCVFDUTRBO-MRXNPFEDSA-N 425.279 4.402 5 20 IIBD Cn1cnnc1Sc1ccc(-c2nc(Cc3c(F)cccc3Cl)no2)cc1[N+](=O)[O-] 571337171 RFBZUIIOXSRTGD-UHFFFAOYSA-N 446.851 4.308 5 20 IIBD O=C(O)[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1Br 581584291 HNTFZAQXKDVPRT-INIZCTEOSA-N 448.298 4.396 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1[N+](=O)[O-] 603568292 JXYCQLAMXMYJLO-UHFFFAOYSA-N 441.465 4.321 5 20 IIBD C[C@H]1CN(Cc2ccccc2CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@H](C)O1 603770104 UQCQXFXKLAZJRX-HOTGVXAUSA-N 439.537 4.349 5 20 IIBD Cc1c(NC(=O)[C@H](C)Oc2ccc(S(=O)(=O)c3ccccc3)cc2)cccc1[N+](=O)[O-] 603934863 JILZERWABSAHFS-INIZCTEOSA-N 440.477 4.142 5 20 IIBD CCN(CC)C(=O)c1ccc(NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1Cl 604007937 VZRQHDHFXPISMN-UHFFFAOYSA-N 429.864 4.392 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(C(=O)N[C@H](C)CC)cc2C)c([N+](=O)[O-])cc1OC 604457746 XXUIGYPVPCXXFI-CQSZACIVSA-N 429.473 4.091 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c1C 608867361 QMZAPHBKNJBAPX-GOSISDBHSA-N 442.497 4.178 5 20 IIBD CCOC(=O)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(Br)cc1 608901299 OKQGYEGJKUAEQB-INIZCTEOSA-N 435.274 4.090 5 20 IIBD O=C(Nc1ccnn1Cc1c(Cl)cccc1Cl)c1n[nH]c2ccc([N+](=O)[O-])cc12 608961885 KSKXWOYAVOXNSW-UHFFFAOYSA-N 431.239 4.275 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 609715363 ZVTHHMKUTLGUPY-HKBQPEDESA-N 437.521 4.408 5 20 IIBD O=C(NCc1ccnc(-n2cccn2)c1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609780960 HPCLKIBXBHEXKG-UHFFFAOYSA-N 430.424 4.290 5 20 IIBD Cn1nc(C(C)(C)C)cc1C(=O)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 609816722 FNTXZKSQIGOOGC-UHFFFAOYSA-N 434.456 4.324 5 20 IIBD C[C@H]1CN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H](C)O1 610041594 VCAPVLATEGMBJY-STQMWFEESA-N 434.290 4.223 5 20 IIBD CC[C@H](C)NC(=O)c1ccc(NC(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])cc1 610093642 MUHCSMAOXZFACO-INIZCTEOSA-N 427.505 4.055 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3c(C)oc(C)c3C)cc2)cc1[N+](=O)[O-] 610861970 GXODTNAZRGGMAD-UHFFFAOYSA-N 443.481 4.475 5 20 IIBD Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 611768659 NCYNIXZAQNCEIQ-UHFFFAOYSA-N 435.406 4.392 5 20 IIBD C[C@H](C(=O)N[C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)c1ccc([N+](=O)[O-])cc1F 612488721 UZKFLSAQFVVFRK-OHVLKYKYSA-N 425.504 4.254 5 20 IIBD COC(=O)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)c1ccc(F)cc1 618029190 BNQMRIBGXBNSSB-LJQANCHMSA-N 446.500 4.455 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)COc1ccccc1OCC(F)(F)F 727678015 XZCRNTWCODFYRZ-UHFFFAOYSA-N 432.782 4.227 5 20 IIBD CSc1ccc(C(=O)NC[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)cc1[N+](=O)[O-] 728966182 ZHJZKOWKTZIRNS-INIZCTEOSA-N 434.823 4.150 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1cccc(N2CCOC2=O)c1 729048123 ABAKMKYAHDQNGN-INIZCTEOSA-N 426.473 4.233 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 729667788 SSLRPQNOUVSOBS-UHFFFAOYSA-N 447.513 4.392 5 20 IIBD C[C@@H](OC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)no1)C(=O)Nc1ccccc1[N+](=O)[O-] 730859323 MCGIZAFSYCQHJK-LLVKDONJSA-N 449.341 4.453 5 20 IIBD Cc1ccsc1C(=O)Nc1ccc(OC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])cc1 731631721 GABQCAOCGYHXHE-UHFFFAOYSA-N 440.433 4.014 5 20 IIBD CCn1c(Sc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])nnc1-c1ccccc1 731920153 KZDBAWIUKFUFFE-UHFFFAOYSA-N 440.453 4.021 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@H](c1oc2ccccc2c1C)C(C)C 732661062 LGHNDPBAUBEPGS-QFIPXVFZSA-N 440.452 4.363 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)cc1C 733252227 IYBLQVNCWPSKPP-UHFFFAOYSA-N 434.861 4.248 5 20 IIBD O=C(OCc1nc(-c2ccc(Br)s2)no1)c1c[nH]c2cc([N+](=O)[O-])ccc12 734026879 CMCWFAQTYNGEQU-UHFFFAOYSA-N 449.242 4.307 5 20 IIBD CC(C)(C)OC(=O)N1CCc2nc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)sc2C1 735997280 RFZGROVTTBRCOZ-UHFFFAOYSA-N 438.893 4.250 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)c1ccc(NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 742263722 HUDASMKVRPLPPA-HNNXBMFYSA-N 440.500 4.182 5 20 IIBD COc1cc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])ccc1NC(=O)OC(C)(C)C 742550078 OCKBBAWSQKXLOJ-UHFFFAOYSA-N 430.461 4.025 5 20 IIBD O=C(O[C@@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 745567530 BINGQVRQERCMOO-OAHLLOKOSA-N 428.750 4.229 5 20 IIBD CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(Cl)ccc1[N+](=O)[O-] 746066888 ZZRYJROSIHJRTM-IBGZPJMESA-N 443.887 4.156 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N(Cc1ccccc1[N+](=O)[O-])C1CC1 747448975 DCIXRVXTDBSZMJ-UHFFFAOYSA-N 438.209 4.209 5 20 IIBD Cc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 748950761 NMTJDJJHPLDTNN-GFCCVEGCSA-N 435.820 4.266 5 20 IIBD O=[N+]([O-])c1cccc([C@@H](O)CSc2nnc(N3CCCC3)n2-c2ccccc2Cl)c1 749667510 YKWISOLXLWMCKN-SFHVURJKSA-N 445.932 4.255 5 20 IIBD COc1ccc(NC(=O)CN2CCC(c3nc(C(C)(C)C)cs3)CC2)c([N+](=O)[O-])c1 750067669 ORRZDGBUOSBGQN-UHFFFAOYSA-N 432.546 4.176 5 20 IIBD O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 750096878 RILAHKGMYQHVKP-RBUKOAKNSA-N 438.311 4.428 5 20 IIBD COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC1CCCC1 751976241 OKCLZRRVADVKTF-AWEZNQCLSA-N 428.441 4.109 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NC[C@H]3CSCCS3)cc2[N+](=O)[O-])n1 753072323 PLTNQLXCTWTXSP-LBPRGKRZSA-N 427.598 4.089 5 20 IIBD COCCOc1c(Cl)cccc1NC(=O)c1cccc([N+](=O)[O-])c1Br 753802527 DGTUYGLWCQNCHP-UHFFFAOYSA-N 429.654 4.288 5 20 IIBD COc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c1 755208946 XBODHKNQNUSYEM-DEOSSOPVSA-N 445.475 4.461 5 20 IIBD COC1CCC(OC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1 757934540 RAPHGJDTMJJCRN-UHFFFAOYSA-N 430.423 4.331 5 20 IIBD C[C@H](OC(=O)c1cccc([N+](=O)[O-])c1N)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 758962165 FSUVRPFMPIXOGV-ZETCQYMHSA-N 432.647 4.321 5 20 IIBD O=C(COC(=O)c1cc(Br)c(F)cc1F)Nc1ccc([N+](=O)[O-])cc1Cl 759026370 GTRLOVKZJDGGQH-UHFFFAOYSA-N 449.591 4.084 5 20 IIBD CCN(C(=O)c1cccc([N+](=O)[O-])c1Br)[C@H]1CCN(Cc2ccccc2)C1 759153079 GQVXCRDFULNFNM-INIZCTEOSA-N 432.318 4.094 5 20 IIBD O=C(O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1csc(Cc2ccc(F)cc2)n1 759948794 NYXPKYMWBBJOSN-DLBZAZTESA-N 430.461 4.318 5 20 IIBD CCOc1c(Cl)cc(-c2noc(CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)cc1OC 761384144 YYCLVAYFDPRWFX-UHFFFAOYSA-N 448.819 4.399 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1nc2ccccc2n1C(F)F 763748458 YOINUXIATMRFRQ-NSHDSACASA-N 437.424 4.342 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 763811579 SITPVPPULMONSP-UHFFFAOYSA-N 439.833 4.064 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(C(F)(F)F)nc1Cl 766121333 AOCPDHGKUTTYDI-UHFFFAOYSA-N 428.710 4.069 5 20 IIBD COc1cc(COC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c([N+](=O)[O-])cc1F 766194218 AEUZYUQYWBNLKM-UHFFFAOYSA-N 433.373 4.131 5 20 IIBD O=C(CCCc1nnc(-c2ccccc2)o1)Nc1ccc(Br)c([N+](=O)[O-])c1 770317002 HQYXGAFAYRZLSE-UHFFFAOYSA-N 431.246 4.369 5 20 IIBD Cn1cc([C@@H](O)C[C@H]2CCCN2Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cn1 770392859 WMJHWKKYKKYFSQ-QRWLVFNGSA-N 430.892 4.330 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 771765276 OVJOBAIPQBKOPL-UHFFFAOYSA-N 435.933 4.467 5 20 IIBD C[C@H]1C[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCN1C(=O)OC(C)(C)C 772248202 RNZHBIUQYGPMDX-RYUDHWBXSA-N 444.435 4.106 5 20 IIBD O=C(O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1cnc(Cc2ccccc2F)s1 774175243 FDVYOMMXDULMEK-HOTGVXAUSA-N 430.461 4.318 5 20 IIBD CCc1noc(CC)c1CC(=O)O[C@H](c1ccc(Br)cc1)C(C)(C)[N+](=O)[O-] 774366791 MZMHVDGFSPNZFL-GOSISDBHSA-N 439.306 4.444 5 20 IIBD O=C(OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCc2c(Cl)cccc21 776087368 UHIJPJSTHCKWGW-RHSMWYFYSA-N 428.872 4.126 5 20 IIBD CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776132508 FKAYEKICQYVILN-UKILVPOCSA-N 445.475 4.158 5 20 IIBD O=C(COc1ccccc1Br)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776219591 YEHNZSMCUJQQPG-HXUWFJFHSA-N 443.253 4.464 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCc2ncc(NC(=O)Nc3cccc([N+](=O)[O-])c3)cc2C1 776970693 UPGYDEOIGCDTLZ-OAHLLOKOSA-N 427.461 4.016 5 20 IIBD O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1cccc(Cl)c1[N+](=O)[O-] 778105029 OQNMUHKKVQVBSF-AWEZNQCLSA-N 428.659 4.090 5 20 IIBD CC(C)[C@H](OC(=O)c1c(N)cccc1[N+](=O)[O-])C(=O)Nc1ccccc1C(F)(F)F 778143911 MRAXNWNRGLGNMP-INIZCTEOSA-N 425.363 4.016 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc1[N+](=O)[O-] 778215224 SFZBOUGXEKUSON-UHFFFAOYSA-N 433.833 4.159 5 20 IIBD O=[N+]([O-])c1ccc(I)c(OCc2nc(C(F)(F)F)cs2)c1 780353109 CNKWYLJKDTWHAW-UHFFFAOYSA-N 430.145 4.254 5 20 IIBD Cc1ccc([C@H](C)NC(=O)NOCc2ccc(F)cc2Br)cc1[N+](=O)[O-] 780522330 DIXBNCAICZWZHR-NSHDSACASA-N 426.242 4.297 5 20 IIBD CCCCN(C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC(C)(C)NC(C)(C)C1 781634911 DIDYLLYWOMTLNL-UHFFFAOYSA-N 434.537 4.374 5 20 IIBD Cc1cc(C)cc(-c2nnc(NC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])s2)c1 781672342 CNZWPTULBCJYIW-UHFFFAOYSA-N 427.442 4.210 5 20 IIBD COC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)OC(=O)c1ccc([N+](=O)[O-])c2cccnc12 783183880 TZWHURWYTKUOHT-KRWDZBQOSA-N 448.353 4.103 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(Oc2nncc3ccccc23)cc1 783602618 HXNBFQBJQVXRSL-UHFFFAOYSA-N 440.419 4.319 5 20 IIBD Cc1noc(C)c1COc1ccccc1C(=O)OCc1ccc(N(C)C)c([N+](=O)[O-])c1 785232618 JAAOUNKFRRHNDU-UHFFFAOYSA-N 425.441 4.202 5 20 IIBD C[C@@H](OC(=O)Cc1nc(-c2ccc(F)cc2)cs1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 787003500 DPVRAPLBHGJPHK-LLVKDONJSA-N 447.419 4.109 5 20 IIBD COc1ccc(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(OCC2CC2)c1 788205152 PUGWZMTYAMEOLW-CYBMUJFWSA-N 439.424 4.360 5 20 IIBD CCOC1CC(CC(=O)O[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 789154965 CAWANZXDMGRDMO-QRFVXNFXSA-N 426.469 4.331 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Oc2ccc(-c3ncc4n3CCCC4)cc2)cc1C 790421641 GDBMUYYWNJVXIC-UHFFFAOYSA-N 427.482 4.179 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1nc(Br)ccc1Br 790763828 NVZWRNUXYGTQHZ-UHFFFAOYSA-N 449.486 4.098 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCOc2c(Br)cccc2C1 791698713 LFMQBBDHLCULMJ-UHFFFAOYSA-N 426.654 4.437 5 20 IIBD CO[C@@H]1CCC[C@H](CC(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)C1 793119411 XRTYKJVVISGKGX-FBBABVLZSA-N 432.517 4.118 5 20 IIBD O=C(NC[C@@H]1CCCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1)OCc1ccccc1 794036030 ZXGMOAUYSGDMPJ-INIZCTEOSA-N 431.876 4.027 5 20 IIBD COCC1(CNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC1 800573110 LRZVGAJWDHQMJW-UHFFFAOYSA-N 431.876 4.047 5 20 IIBD O=C(Nc1ccc(F)cc1OCCC(F)(F)F)c1cc([N+](=O)[O-])c2nsnc2c1 800682044 FCVSZSMBSFHZGG-UHFFFAOYSA-N 430.339 4.322 5 20 IIBD CC(C)(C)OC(=O)NC[C@@]1(C)CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 801032036 TYNLUTVCADVGPJ-OAQYLSRUSA-N 446.529 4.095 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 808363685 MPSXYBBEXOMGQP-IYARVYRRSA-N 448.564 4.110 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)c1F 809029319 KYBSZBAANPCAFR-LJQANCHMSA-N 426.366 4.193 5 20 IIBD COc1cc(C(=O)O[C@@H](C)c2ccc(SCC(=O)N(C)C)cc2)cc([N+](=O)[O-])c1C 809071095 SPMZJTPRLLFBCP-AWEZNQCLSA-N 432.498 4.010 5 20 IIBD C[C@@H](OC(=O)[C@@H]1CCCCCC(=O)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 811384554 FHABICLYJFWYHA-VXGBXAGGSA-N 430.379 4.023 5 20 IIBD COC(=O)Nc1cc(NCc2cc(I)cc([N+](=O)[O-])c2)ccc1F 811740029 QYLLERJXGNYPDE-UHFFFAOYSA-N 445.188 4.129 5 20 IIBD O=C(OCc1ccccc1)c1ccc(CNc2cc3ncnc(O)c3cc2[N+](=O)[O-])cc1 811853109 NCQDAIXBEYNTSR-UHFFFAOYSA-N 430.420 4.213 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@H](O)c2ccc(OC)cc2)CC1 812632921 PSJITMJKLOXVGH-OAQYLSRUSA-N 430.526 4.301 5 20 IIBD COc1ccc([C@H](O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 812641129 IQTWCMLRKFYJEB-IBGZPJMESA-N 438.402 4.208 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 813530974 WNNLPUOCEDHSSU-NEPJUHHUSA-N 432.304 4.467 5 20 IIBD C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[C@@H](c2cccc(C(F)(F)F)c2)O1 813627471 GJJYGCQVVTVPBT-BLVKFPJESA-N 435.402 4.465 5 20 IIBD COCc1ncc(COC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)s1 813999747 FOQHDIWHPRQJNO-UHFFFAOYSA-N 443.268 4.047 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(Cc3ccnc(Br)c3)CC2)c(C(F)(F)F)c1 815036928 SCNGFTPCRCYFFU-UHFFFAOYSA-N 445.239 4.093 5 20 IIBD COc1ccccc1[C@H](CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)NC(=O)OC(C)(C)C 815561420 GQQXXTGASBLIJG-KSSFIOAISA-N 430.505 4.102 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2oc(CN3CCCC3)nc2c1 816767225 RVNBWRUGDRVWGF-CQSZACIVSA-N 426.498 4.451 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCN(Cc3cccc4cccnc34)CC2)cc1[N+](=O)[O-] 818916679 SAJPSPXQYWYDFZ-UHFFFAOYSA-N 432.524 4.399 5 20 IIBD Nc1ccc([N+](=O)[O-])cc1-c1nc(-c2cc(Br)cc(Br)c2)no1 904915040 SYPHOTXTWGEDDF-UHFFFAOYSA-N 440.051 4.419 5 20 IIBD Cc1cc(C)cc(OCCC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 913328181 YOLUIYVDCWRDMN-UHFFFAOYSA-N 440.374 4.181 5 20 IIBD CCOc1cc(C(=O)OCc2noc(-c3ccc(Cl)cc3)n2)c([N+](=O)[O-])cc1OC 913389116 ZPWUJKABVGTLEG-UHFFFAOYSA-N 433.804 4.063 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CCOc1ccc(Cl)c(Cl)c1 914960847 XBGXIGHMVPFIKG-UHFFFAOYSA-N 427.240 4.161 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3ccc(-n4nccn4)cc3)cc2[N+](=O)[O-])n1 915867204 GENJJSFBCMSXEW-UHFFFAOYSA-N 438.494 4.344 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)c2cc(C)n(Cc3cccs3)c2C)c1 920704802 KEOQWGMRHSFKCJ-UHFFFAOYSA-N 428.466 4.171 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 921153631 JTAFWKLBZSHQMN-CQSZACIVSA-N 440.456 4.387 5 20 IIBD CCc1cc(C(=O)O[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)nn1C 1116524841 OGLAMLGTFZZWPK-IBGZPJMESA-N 442.859 4.081 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccn(-c2ccccc2C(F)(F)F)n1 1321912038 RYKZQXKDIHWUTL-UHFFFAOYSA-N 436.302 4.065 5 20 IIBD O=C(NCCc1nnc(-c2ccc(-c3ccc(F)cc3)s2)o1)c1ccc([N+](=O)[O-])cc1 1322282784 YLRGOJYVPOHNRV-UHFFFAOYSA-N 438.440 4.485 5 20 IIBD O=C(OCc1csnn1)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 1337688099 MSBMYJMDIZLZMO-UHFFFAOYSA-N 438.509 4.262 5 20 IIBD COc1cc(CCNC(=O)N[C@H](C)c2ccc(Cl)c(F)c2)c([N+](=O)[O-])cc1OC 1341440992 PQUNRIGGBAUIQS-LLVKDONJSA-N 425.844 4.007 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)Cc4cccc([N+](=O)[O-])c4)cc3)CCC2)c[nH]1 1785792451 ZPDOFVGVJXJMRR-UHFFFAOYSA-N 432.480 4.222 5 20 IIBD Cc1cncc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])cc4F)CCC3)cc2)c1 1787433048 WRFCXCDKNQHGIY-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD C/C(=C\c1ccc(C)o1)C(=O)Nc1ccc(C2(NC(=O)c3n[nH]cc3[N+](=O)[O-])CCC2)cc1 1789584619 AZOUVWYKGBBBEU-WYMLVPIESA-N 449.467 4.071 5 20 IIBD CC1(C(=O)NC2(c3ccc(NC(=O)c4nc5cc([N+](=O)[O-])ccc5[nH]4)cc3)CCC2)CC1 1790825074 CRFARAFOQCMKRE-UHFFFAOYSA-N 433.468 4.019 5 20 IIBD CC[C@H](C)[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccccc1 1799478003 PHUMEFQEJPVQBG-WTLZFGJLSA-N 438.528 4.005 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1Cl 1799537888 AWLBGVSQVNMYHD-QDMKHBRRSA-N 445.878 4.261 5 20 IIBD C[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(F)c1[N+](=O)[O-])C2)c1ccccc1 1801752669 RRPCGCOTKUNXCF-OQIJWPOYSA-N 439.487 4.180 5 20 IIBD Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3cccc([N+](=O)[O-])c3)n[nH]2)c1 1814376060 MFVWYNRTAIKPKH-NRFANRHFSA-N 447.495 4.175 5 20 IIBD Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3cccc([N+](=O)[O-])c3)[nH]n2)c1 1820531332 YDHGDBYQDPIAGF-NRFANRHFSA-N 447.495 4.175 5 20 IIBD CC/C=C(\C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(C)c([N+](=O)[O-])c2)CC1 1830363761 CCYQNUDLAYGQKP-CYNHDBGTSA-N 441.572 4.422 5 20 IIBD C/C=C(\C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(C)c([N+](=O)[O-])c2)CC1 1831342146 JLVQJFWKQDELKF-ALPJNHHUSA-N 427.545 4.032 5 20 IIBD CC/C=C(\C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc([N+](=O)[O-])c(O)cc2C)CC1 1832519714 SMRPRQGGSIKQBD-QDGSLSSCSA-N 443.544 4.198 5 20 IIBD CC(C)C1(C(=O)N2CC3(CCCN3C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C2)CCC1 1845739903 XBCWBTGTWDXJNW-UHFFFAOYSA-N 441.553 4.453 5 20 IIBD CCn1c2ccccc2c2cc(NC(=O)COC(=O)COc3ccccc3[N+](=O)[O-])ccc21 11027205 LRGMZTLWTSADDH-UHFFFAOYSA-N 447.447 4.283 5 20 IIBD CSc1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 12053627 ZIRASHIJHDHWMB-UHFFFAOYSA-N 429.498 4.103 5 20 IIBD C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 17534496 VLVXZOYZBLNIQX-JTQLQIEISA-N 443.876 4.124 5 20 IIBD COC(=O)c1ccc(C)c(NC(=O)[C@H](C)Sc2nc3ccc([N+](=O)[O-])cc3s2)c1 23214219 OPSIVPHDESIIRM-NSHDSACASA-N 431.495 4.419 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1cccs1 24770716 KFCSDMHKNDELCR-OAHLLOKOSA-N 439.493 4.303 5 20 IIBD CCN(CC)[C@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccsc1 31988113 SXBZIEWXMSRQJH-OAQYLSRUSA-N 430.574 4.072 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 32442135 BPKYNFBVLIBDRU-INIZCTEOSA-N 439.493 4.195 5 20 IIBD CN(C)C(=O)c1cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1Cl 106229166 DIILHRBJKUFRLZ-UHFFFAOYSA-N 433.895 4.149 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)c([N+](=O)[O-])cc1OC 195623520 GYWOSHUAOYPQAP-UHFFFAOYSA-N 436.468 4.454 5 20 IIBD CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(-n2nc(C)cc2C)cc1C(F)(F)F 195670411 CIUNGBQFLRNMGB-UHFFFAOYSA-N 447.417 4.388 5 20 IIBD CCn1c(S)nnc1C1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 301199080 LQWRZDSFPLYRJA-UHFFFAOYSA-N 437.525 4.110 5 20 IIBD Cc1ccc(NC(=O)NC[C@H]2CCCN(c3ncc([N+](=O)[O-])cc3Br)C2)cc1 301525746 JAMIJGIJBQOCLU-CQSZACIVSA-N 448.321 4.099 5 20 IIBD CS(=O)(=O)c1cccc(N2CC=C(c3ccccc3C(F)(F)F)CC2)c1[N+](=O)[O-] 301890563 NVQAQVIOMYGTCW-UHFFFAOYSA-N 426.416 4.311 5 20 IIBD CCCC(=O)Nc1cccc(NC(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])c1C 409828932 YWCICNGYLQBIRV-UHFFFAOYSA-N 444.488 4.023 5 20 IIBD C[C@@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1cc2ccccc2s1 410281418 IYPDVLIFPXRQQY-CYBMUJFWSA-N 425.466 4.375 5 20 IIBD CCNc1ccc(C(=O)N(C)[C@@H](c2ccc(Cl)cc2)c2cnccn2)cc1[N+](=O)[O-] 427873720 OZQISERKQAZSNL-FQEVSTJZSA-N 425.876 4.332 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 429348575 JPHWBNFCEDASLW-FQEVSTJZSA-N 443.569 4.116 5 20 IIBD CC(C)OC[C@@H](CO)N(C)C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 432606181 AKCHVBBPSCKSPY-MRXNPFEDSA-N 438.933 4.257 5 20 IIBD CC(C)n1c(CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)nc2ccccc21 433142076 RNZCJOHVPXEWHD-UHFFFAOYSA-N 431.290 4.260 5 20 IIBD CCN(CC)[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccco1 436304122 FYYPYDGKKZLSCW-FQEVSTJZSA-N 439.462 4.365 5 20 IIBD CN(C)C[C@H]1CCc2ccccc2N1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 436718595 ARUWSIIKDCSCKG-HXUWFJFHSA-N 425.532 4.064 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1 439313581 HLEJTMCBRXLOJN-UHFFFAOYSA-N 427.363 4.029 5 20 IIBD C[C@H]1CN(c2ccc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc3)cn2)C[C@H](C)O1 440592100 ADAPAGXKVLJVKO-OALUTQOASA-N 446.507 4.450 5 20 IIBD NC(=O)c1ccc(CN[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 444743491 ZGMLCHFVGCWPLU-CQSZACIVSA-N 435.324 4.496 5 20 IIBD COc1ccc([C@@H](NC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c2ccc(F)cc2)cc1 444973201 IAPWPKQLOQPJJZ-QFIPXVFZSA-N 449.442 4.208 5 20 IIBD O=C(Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1)c1cnc(O)c([N+](=O)[O-])c1 445135624 NMMYLLUTMRGLRJ-UHFFFAOYSA-N 426.134 4.196 5 20 IIBD O=C(NCc1nn(-c2ccccc2)c2c1CCC2)c1sc(Br)cc1[N+](=O)[O-] 445177900 IXLGWTKNLDXJDS-UHFFFAOYSA-N 447.314 4.023 5 20 IIBD C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 445562904 HJWFUZUTUSCKTF-LLVKDONJSA-N 426.347 4.181 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c(Br)c1 447009265 YSVOVIYGUNKPOG-UHFFFAOYSA-N 425.182 4.177 5 20 IIBD C[C@@H](c1ccsc1)N1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC1 463037770 NOFNJFHAJGPDCZ-ZDUSSCGKSA-N 443.447 4.116 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C[C@H]1C[C@H]2C=C[C@H]1C2)C1CCN(C)CC1 464685541 BTLAKHJYKVRULQ-VSZNYVQBSA-N 447.963 4.151 5 20 IIBD C[C@H](CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1c(Cl)cccc1Cl 465165591 MTKKKTVLWDJQFE-LLVKDONJSA-N 425.268 4.135 5 20 IIBD NC(=O)c1ccccc1Oc1ccc(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 467360606 VGBWSLRGALFWSW-UHFFFAOYSA-N 440.843 4.461 5 20 IIBD CC[C@@H](Cc1ccccc1Br)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 467583914 LUSWWAMTFMYMDJ-GOEBONIOSA-N 447.333 4.034 5 20 IIBD COc1cc(C(=O)Nc2cc(-c3ccccc3C)nn2C)c([N+](=O)[O-])cc1OC(F)F 470786659 ORPAFFPLNDVIDO-UHFFFAOYSA-N 432.383 4.166 5 20 IIBD CC(C)(C)OC(=O)CCc1cccc(NC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 471366869 PZECHQQOEPSHNZ-UHFFFAOYSA-N 439.472 4.067 5 20 IIBD CCOc1cc(C(=O)Nc2cc(F)cc(NCC(F)(F)F)c2)c([N+](=O)[O-])cc1OC 473240625 HAYIZYKTDMQGDA-UHFFFAOYSA-N 431.342 4.368 5 20 IIBD COc1c(C(=O)NCC2(c3ccc(Cl)cc3Cl)CCOCC2)cccc1[N+](=O)[O-] 475111704 PRSKNUOOXGUZJM-UHFFFAOYSA-N 439.295 4.388 5 20 IIBD O=C(Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1)c1cc(O)cc([N+](=O)[O-])c1 475484414 DQJAJCDUHJSJSC-UHFFFAOYSA-N 427.848 4.191 5 20 IIBD CC[C@H](c1ccccc1)c1nnc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])s1 479136692 YGUQMAMQGBDJCA-OAHLLOKOSA-N 432.527 4.406 5 20 IIBD CCn1c(COc2ccc(C)cc2)nnc1SCc1cc([N+](=O)[O-])cc2c1OCOC2 480002775 UEBBKIOGVHJWQK-UHFFFAOYSA-N 442.497 4.252 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 480077497 LFYRKEBVYAAHOT-QMMMGPOBSA-N 438.328 4.480 5 20 IIBD Cc1c(CNC(=O)C[C@@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)cccc1[N+](=O)[O-] 481462279 HNJRGACYJPAZON-OAQYLSRUSA-N 448.479 4.111 5 20 IIBD COCC[C@H](Cc1cccc(Br)c1)C(=O)NCc1cccc([N+](=O)[O-])c1C 481485439 ZDBREZYXKXPYQF-MRXNPFEDSA-N 435.318 4.177 5 20 IIBD CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2CC)c([N+](=O)[O-])c1 481683255 GVUGJEBYHWCYMZ-UHFFFAOYSA-N 441.513 4.311 5 20 IIBD Cc1nc(-c2ccccc2NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cs1 484302437 XFMUAFBTHPOIOA-UHFFFAOYSA-N 438.509 4.402 5 20 IIBD COC(=O)[C@@H](C)N(C(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(Br)cc1C 484817596 BNSQVMNCQHPQFY-CYBMUJFWSA-N 435.274 4.182 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CC2(CCC2)c2c(F)cccc21 485043081 NZIQNWFCRBOPSY-UHFFFAOYSA-N 441.278 4.127 5 20 IIBD O=C(Nc1n[nH]c(-c2cc3ccccc3o2)n1)c1ccc([N+](=O)[O-])cc1Br 485126389 RFZSVPYYLXRPGE-UHFFFAOYSA-N 428.202 4.141 5 20 IIBD COC(=O)c1cc(NC(=O)N2CC[C@@H](CSc3ccccc3)C2)c(C)c([N+](=O)[O-])c1 486852026 BVCNJPQADUUHOI-OAHLLOKOSA-N 429.498 4.336 5 20 IIBD CCn1c(SCC(=O)Nc2ccc(SC)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 489440080 OSLOUDNYBVWLTM-UHFFFAOYSA-N 429.527 4.326 5 20 IIBD CC[C@@H]1Oc2cc([C@@H](C)NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)ccc2NC1=O 491313035 RTQNYEGHIDNGLA-VLIAUNLRSA-N 438.484 4.140 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H](C(C)(C)C)C[C@@H]1C 491596893 OXQSKEWDTBHLOD-WDYCEAGBSA-N 435.590 4.120 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCO[C@H](c2cccc(Br)c2)C1 498270810 QJSGIRMCUUWBKN-SFHVURJKSA-N 442.269 4.119 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N(Cc2ccccc2)C(C)(C)C)cc1[N+](=O)[O-] 499511433 KLMCBQRPRTWLEU-UHFFFAOYSA-N 425.514 4.315 5 20 IIBD CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)CCC(=O)Nc1ccccc1[N+](=O)[O-] 500105557 WIVBDAXAEANEML-UHFFFAOYSA-N 425.464 4.017 5 20 IIBD O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 500293110 JMKBCHXWNPEOHG-UHFFFAOYSA-N 447.447 4.112 5 20 IIBD CCOc1ccc(-c2cn(C3CN(C(=O)c4cc5cc([N+](=O)[O-])ccc5s4)C3)nn2)cc1 500530565 AIBWSZFTMYNSFY-UHFFFAOYSA-N 449.492 4.164 5 20 IIBD COc1cc(C(=O)Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)ccc1[N+](=O)[O-] 504816750 DSMNIEIUHRGDDY-UHFFFAOYSA-N 445.475 4.378 5 20 IIBD O=C(Nc1cccc(C(=O)Nc2ccc(Br)cn2)c1)c1cccc([N+](=O)[O-])c1 505112083 CIXPUCZGRGEZTM-UHFFFAOYSA-N 441.241 4.257 5 20 IIBD COc1ccc(-n2ccnc2SCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 509714178 SBGVGYUYJSUAJF-UHFFFAOYSA-N 440.525 4.318 5 20 IIBD O=C(NCc1ccc(NC(=O)c2ccco2)cc1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 510860343 KCNKNNDDVCWGHC-UHFFFAOYSA-N 446.366 4.363 5 20 IIBD COc1ccc([C@@H](NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c2ccc(F)cc2)cc1 512014276 JLTLPQWVWASHJO-NRFANRHFSA-N 430.457 4.119 5 20 IIBD O=C(c1cnn(-c2ccc(F)cc2)c1-n1cccc1)N1CCCc2c1cccc2[N+](=O)[O-] 513843792 HUGGDGCGIYSYMB-UHFFFAOYSA-N 431.427 4.303 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@@H](COc2ccccc2Cl)C1 513986110 WLUKZFHMMRUDRZ-OAHLLOKOSA-N 433.892 4.257 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 514066065 JUVYAXSVPQZIPJ-JRFVFWCSSA-N 430.508 4.495 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2c2nc([C@H]3CCOc4ccccc43)no2)ccc1[N+](=O)[O-] 515092110 YECSHAQGCKEVHA-PKOBYXMFSA-N 434.452 4.178 5 20 IIBD O=C(NC1CCCCC1)c1cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)ccc1Cl 515732403 PONWMCKVUMXMCS-UHFFFAOYSA-N 445.859 4.292 5 20 IIBD COCCOc1c(Cl)cccc1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 519166688 BOOVIESQWGROLY-LLVKDONJSA-N 428.272 4.366 5 20 IIBD C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 520621041 QFOQZUXAZNEWOW-INIZCTEOSA-N 425.485 4.156 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(CNCc3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)C[C@@H](C)O1 520961268 IIQWPOBJLCYCNV-QZTJIDSGSA-N 449.507 4.394 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N(Cc1ccncc1)Cc1cccnc1 522649668 VVSMEXXNLPQYFO-UHFFFAOYSA-N 426.860 4.036 5 20 IIBD Cc1nnnn1[C@H](Cc1ccccc1)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 522816861 BEIMFTHZKPITEI-JOCHJYFZSA-N 444.451 4.105 5 20 IIBD CCCOc1cc(NC(=O)NC2(c3noc(C)n3)CCCC2)c([N+](=O)[O-])cc1OCCC 522844068 AUTYZLDKNAXALM-UHFFFAOYSA-N 447.492 4.455 5 20 IIBD CC(C)(C)c1ccc(OCCCC(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 522856860 YLHYXOGPGYVDMT-GOSISDBHSA-N 426.517 4.159 5 20 IIBD CSc1ccc(C(=O)N[C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)cc1[N+](=O)[O-] 523169975 PWMJYEYBBYFBEU-HNNXBMFYSA-N 442.541 4.064 5 20 IIBD COc1cc(C)ccc1Oc1ccc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cc1F 523257951 QUXPNGCLQAPWJM-UHFFFAOYSA-N 428.420 4.414 5 20 IIBD CCN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 524167617 PSKCAUCWFYXGQK-JOCHJYFZSA-N 437.427 4.418 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCCCNC(=O)c3cccc(O)c3)c([N+](=O)[O-])c2)cc1 524412165 ODNKWNOCJZFBRR-UHFFFAOYSA-N 448.479 4.093 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 525626402 AUVKTPIVZPXXIY-DEOSSOPVSA-N 425.448 4.332 5 20 IIBD C[C@H](C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1cccc(F)c1 525629815 PUUQQPZFFKAJGG-ZDUSSCGKSA-N 425.382 4.205 5 20 IIBD CCNc1ccc(C(=O)OCC)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 531555542 LUTKMUUMQCCJFI-UHFFFAOYSA-N 426.473 4.056 5 20 IIBD Cc1cccc([C@H]2CCCN2C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 531708003 VWDPQVMJYUMOSE-QGZVFWFLSA-N 437.422 4.276 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC[C@@H]3[C@H](O)C(F)(F)F)cc2[N+](=O)[O-])n1 533017783 HWHIGFZSSWZDEC-RISCZKNCSA-N 447.460 4.039 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2ccc(-c3nnc(N(C)C)o3)cc2)cc1[N+](=O)[O-] 534243596 BWWIUZJNBRVOOE-UHFFFAOYSA-N 446.261 4.034 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC2(CCN(Cc3ccccc3)C2)CC1 534955442 BJTUWSNBLVBBJT-UHFFFAOYSA-N 448.567 4.323 5 20 IIBD O=C(Nc1cccc(CCN2CCCC2)c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 537702328 QLNHIZQBTUJDHZ-UHFFFAOYSA-N 437.418 4.427 5 20 IIBD COCCOc1c(Cl)cc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)cc1Cl 539130963 PTCDUCZWMUWQAC-UHFFFAOYSA-N 428.272 4.291 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc2oc3ccccc3c2c1 540870369 XBRZFMJJXDETQP-UHFFFAOYSA-N 437.839 4.445 5 20 IIBD COc1ccc([C@@H](CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)N2CCCCC2)cc1 541582308 LCYUJGXGXZTUTR-OPAMFIHVSA-N 429.492 4.189 5 20 IIBD COc1ccc(NC(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)cc1[N+](=O)[O-] 542034096 VFOJUDOPCIGGIO-UHFFFAOYSA-N 438.415 4.317 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 543126776 QOCVZILJYVQWMG-UHFFFAOYSA-N 430.917 4.459 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)NCc1ccccc1COCc1ccccc1 543174672 QCARQZIXBHXGHG-UHFFFAOYSA-N 435.480 4.320 5 20 IIBD COC(=O)C[C@@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccc(C(F)(F)F)cc1 543459883 GKKLDFYAWDKKCU-APPDUMDISA-N 442.365 4.277 5 20 IIBD COc1cc(CNc2ccc(-c3cncnc3)cn2)c([N+](=O)[O-])cc1OCC(F)(F)F 544001490 MWDZNEQSWRBRMP-UHFFFAOYSA-N 435.362 4.009 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)N1CCCCC1 544522969 TWVJBOOXZJKDIZ-HRAATJIYSA-N 429.492 4.189 5 20 IIBD Cn1cnnc1Sc1ccc(-c2nc(-c3cnc4ccsc4c3)no2)cc1[N+](=O)[O-] 545711778 DGQBCXWSFSAFMC-UHFFFAOYSA-N 437.466 4.201 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(Cc3cccc4cccnc34)n2)c(Br)c1 545763902 QOBSBZALQJVJJT-UHFFFAOYSA-N 425.242 4.470 5 20 IIBD O=C(NCCc1nc(-c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)no1)c1ccsc1 547177532 AXHKFJZUTLFSCJ-UHFFFAOYSA-N 436.449 4.471 5 20 IIBD C[C@H](Nc1cccc(C(=O)N(C)CC(N)=O)c1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 551566318 KHYWPDDLRLUWSO-AWEZNQCLSA-N 438.509 4.054 5 20 IIBD COC(=O)CC1CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 552515362 JHBYZQONEYMLCJ-UHFFFAOYSA-N 445.903 4.276 5 20 IIBD COCCCOc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC 553223478 IZZWSJBKWVZDCC-UHFFFAOYSA-N 428.363 4.290 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 553793288 SBFPNTPUDWPZOJ-WBVHZDCISA-N 446.529 4.398 5 20 IIBD C[C@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(NC(=O)c2ccncc2)cc1 557539210 IEHHGRYFJOEIQI-HNNXBMFYSA-N 444.451 4.143 5 20 IIBD O=C(Nc1ccc(F)c(Cl)c1)C1CCN(c2ncnc3sc([N+](=O)[O-])cc23)CC1 557602564 LBNRTHXUDIHPSQ-UHFFFAOYSA-N 435.868 4.247 5 20 IIBD O=C(NCc1cc(Br)c2c(c1)OCO2)c1cc([N+](=O)[O-])ccc1C(F)(F)F 559234912 YMMNNONQRJJOPY-UHFFFAOYSA-N 447.163 4.035 5 20 IIBD CNC(=O)c1cc(Oc2cc(NC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)ccc2C)ccn1 562400374 OJOVLMHUHBWDOC-OAHLLOKOSA-N 434.452 4.192 5 20 IIBD Cc1c(CS(=O)(=O)CC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)cccc1[N+](=O)[O-] 564554189 KMIHQDRROHDFPJ-UHFFFAOYSA-N 444.553 4.133 5 20 IIBD CC(C)(C(=O)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1)c1ccccc1[N+](=O)[O-] 571174250 JBTRSBVQPAOEMT-UHFFFAOYSA-N 448.523 4.308 5 20 IIBD COc1ncccc1CCN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 574246707 OIUGGDZEILDKTQ-HXUWFJFHSA-N 440.887 4.164 5 20 IIBD COCCOc1ccc(F)cc1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 576176215 DESVYJGTQBWYBA-UHFFFAOYSA-N 427.226 4.082 5 20 IIBD COc1ccc(-c2nc(CN3CCOc4ccc([N+](=O)[O-])cc4C3)cs2)c(OC)c1 576268927 MGCWREATQYFKIY-UHFFFAOYSA-N 427.482 4.130 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2c(O)cc(Br)cc2Cl)c1 581218624 URYZVEDNLLLPGF-UHFFFAOYSA-N 429.654 4.432 5 20 IIBD COc1cc(C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)c([N+](=O)[O-])cc1OC(F)F 585705091 WLLCEQRRKPCCEB-LBPRGKRZSA-N 442.440 4.088 5 20 IIBD COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)o2)cc1OC 597292800 VXWLICWDSDNYCI-LBPRGKRZSA-N 444.469 4.090 5 20 IIBD CCCCN1C(=O)C2(CCCCC2)N[C@@H]1c1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] 602760257 XGJAHGLMWVCDSJ-IBGZPJMESA-N 441.475 4.181 5 20 IIBD O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 603638827 HNGNHCVPCJCYND-UHFFFAOYSA-N 438.774 4.471 5 20 IIBD CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCC(=O)c1ccc2ccccc2c1 603726051 RRMUKTLOLPDRJO-UHFFFAOYSA-N 445.431 4.372 5 20 IIBD CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 604192281 QTTLPDCJXTWXJV-UHFFFAOYSA-N 448.458 4.015 5 20 IIBD C[C@H]1Cc2ccccc2N1C1CCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 604309590 QAKVQFUMOWBTQB-KRWDZBQOSA-N 445.523 4.051 5 20 IIBD COC(=O)c1cc(C(=O)Nc2c(C)cnn2[C@@H]2CCCc3ccccc32)cc([N+](=O)[O-])c1 604537423 ZWWAIGUYGJURLY-HXUWFJFHSA-N 434.452 4.064 5 20 IIBD Nc1c(C(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc(F)cc1[N+](=O)[O-] 608817426 HXZMKUPMDPSGCU-GFCCVEGCSA-N 445.838 4.039 5 20 IIBD CC[C@@H](C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1C)C(=O)Nc1cccc(N2CCCC2)c1 609028693 CCILPLNSSLJKSQ-ZHRRBRCNSA-N 438.528 4.287 5 20 IIBD COc1cccc2c1OC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)C2 609117262 JGWQVIGODNPXRU-INIZCTEOSA-N 436.489 4.488 5 20 IIBD CC[C@H](C)[C@@H](NC(=O)c1cc(C)cc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 609174850 XKYSWLKSQQDWEO-HTAPYJJXSA-N 438.528 4.287 5 20 IIBD CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 609447268 HEJSIKOVZDBGLI-IIBYNOLFSA-N 433.574 4.105 5 20 IIBD C[C@@H](NC(=O)CCC[S@@](=O)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 609547478 GTQZWLUPCBWFDF-ZBSNKRKSSA-N 439.331 4.123 5 20 IIBD Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)C1 609550837 CWVWGLQTRDDJKN-CQSZACIVSA-N 440.887 4.067 5 20 IIBD Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 609912935 RNIQSEIYVZGHAZ-JXFKEZNVSA-N 437.521 4.183 5 20 IIBD CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 610154635 JLTVKBPMPIRCKJ-YSGRDPCXSA-N 429.904 4.404 5 20 IIBD CN1CCC[C@H](CN(C)[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 610161472 WGKCTDBCQNQVDH-HRAATJIYSA-N 430.936 4.202 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)cc1[N+](=O)[O-] 611076279 GAQJDHXMECWCEL-UHFFFAOYSA-N 447.285 4.106 5 20 IIBD CCCN(Cc1nnc(-c2ccccc2Cl)o1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 611252551 NOJQFNBLBYYMCY-UHFFFAOYSA-N 444.875 4.482 5 20 IIBD COc1ccc2c(c1)CC[C@H](NC(=O)c1ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c1)C2 612087489 JMQPRKOLIQDWDT-UZLBHIALSA-N 446.507 4.459 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ncc(Cc2ccccc2Cl)s1 619506842 UKANVFVAEQNQRD-UHFFFAOYSA-N 439.902 4.105 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N(Cc2ccccc2)c2ccccc2)cc1OC 619564707 YHTKSQOKNBCOIH-UHFFFAOYSA-N 436.464 4.476 5 20 IIBD C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)c1 727711266 HURJUFYQHQXWMN-ZDUSSCGKSA-N 437.905 4.064 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc(CN2CCCCC2=O)cc1 729117605 GQKUVLPNXOUPJF-UHFFFAOYSA-N 426.469 4.252 5 20 IIBD Cc1cc(C(=O)NCc2ccc(-n3nc(C)cc3C)cc2C(F)(F)F)c(N)c([N+](=O)[O-])c1 729528231 YEOIULIVFLYBIG-UHFFFAOYSA-N 447.417 4.237 5 20 IIBD Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCCNc3ccc([N+](=O)[O-])cc3)c2c1 730516411 JLWNUYPSNBMJHV-UHFFFAOYSA-N 427.464 4.355 5 20 IIBD O=C(NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1C[C@@H]1c1cccc2ccccc12 730918405 MDOSDXDHUWLVLX-IAGOWNOFSA-N 430.869 4.010 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)[C@H](c1ccccc1)N1CCCCC1=O 731252401 XDOCFYLKNSVQGH-QFIPXVFZSA-N 426.469 4.179 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1 736159112 BJIDEOBTJKKZLA-UHFFFAOYSA-N 425.754 4.408 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)cc1OC 736213820 XCNAUEAXDRGMDR-NRFANRHFSA-N 448.903 4.241 5 20 IIBD CN1C(=O)C[C@@H](COC(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc(Cl)c1 737378870 DJXJLDDLANICGR-XOBRGWDASA-N 434.901 4.103 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@@H](O)c3ccccc3Cl)cc2[N+](=O)[O-])C1 740930172 LXGHNJNIOPCLPQ-VTJXTGGHSA-N 431.920 4.194 5 20 IIBD CCN(CC)C(=O)c1ccc(OC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 741599919 OEZKXETXJPDUTE-UHFFFAOYSA-N 425.466 4.420 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1NCC1(c2ccc3c(c2)OCO3)CCOCC1 741751125 RJENEGMVQDCFHB-UHFFFAOYSA-N 435.274 4.246 5 20 IIBD O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2Br)C1 742393740 ALOUBZUFYZEMFU-NSHDSACASA-N 439.697 4.261 5 20 IIBD C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)OCCOc1ccc([N+](=O)[O-])cc1 745221883 VHAVTIUVUCRITN-ZDUSSCGKSA-N 436.258 4.188 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)COc2cc(Cl)cc(Cl)c2)cccc1[N+](=O)[O-] 745602562 ZVMHGFSNGJMXOK-NSHDSACASA-N 427.240 4.159 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 748692378 KKPDLQLCWNKPCT-UHFFFAOYSA-N 448.353 4.256 5 20 IIBD Cc1c(C(=O)Nc2ccc(C(=O)Nc3cccnc3)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748707398 DYLUTDBTROEUTK-UHFFFAOYSA-N 435.396 4.019 5 20 IIBD Cn1c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1-c1ccc(F)cc1 749332078 WIHCGWPXHZNCSH-UHFFFAOYSA-N 431.807 4.188 5 20 IIBD O=C(c1cnn(-c2ccccc2)c1)c1cc(F)ccc1OC[C@H](O)c1cccc([N+](=O)[O-])c1 749668939 BYBZGDBNBBIWFX-QFIPXVFZSA-N 447.422 4.263 5 20 IIBD O=C(CCc1c[nH]c2ccccc12)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 750582861 JLEPEVCJBVURMQ-UHFFFAOYSA-N 428.286 4.356 5 20 IIBD Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F 751690730 PXYZXRAYSDKPGC-NSHDSACASA-N 439.237 4.297 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@@H](COCc2ccccc2)C1 755029308 QWMYKRDNOINRNF-OAHLLOKOSA-N 434.290 4.428 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)OCc1csc(N(C(C)=O)c2ccccc2)n1 755659271 WHQZIWGLJXRCSU-UHFFFAOYSA-N 427.438 4.102 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1nc2ccccc2s1 762540241 FFQWZTCHULPACY-GFCCVEGCSA-N 445.522 4.351 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2c(Cl)cc(F)cc2Cl)c([N+](=O)[O-])c1 763566346 CRFGVFUOOACQOJ-UHFFFAOYSA-N 431.203 4.235 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1 764060718 SFZZYJLOFICNAN-OAHLLOKOSA-N 430.404 4.069 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc2)c(C)c1[N+](=O)[O-] 764568072 CSJHVXSGGUZCRY-UHFFFAOYSA-N 449.467 4.169 5 20 IIBD O=[N+]([O-])c1cccc2c1CCCN2Cn1nc(-c2cccnc2)n(Cc2ccco2)c1=S 766359551 WQLVKWXIAGPRCH-UHFFFAOYSA-N 448.508 4.436 5 20 IIBD CCOc1c(Cl)cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1Cl 767153349 NFRDSWQOGDFMKD-UHFFFAOYSA-N 440.283 4.389 5 20 IIBD COc1c(C)cc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1C 773650318 VWMFMMICNXSXFW-LBPRGKRZSA-N 440.374 4.423 5 20 IIBD C[C@H]1C[C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1C(=O)OC(C)(C)C 773774743 DYFQWTIKUXSSOS-DZGCQCFKSA-N 446.529 4.236 5 20 IIBD COc1ccc(CN(C)Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)cc1OC(F)F 774634502 LBIHHUNUPIKBCH-UHFFFAOYSA-N 426.807 4.297 5 20 IIBD CC(C)(C)OC(=O)N1CCCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC1 774653419 LORPMCNMTBDSTJ-UHFFFAOYSA-N 440.369 4.091 5 20 IIBD C[C@H](C(=O)OCc1nc2ccc(Br)cc2n1C)c1ccc([N+](=O)[O-])cc1F 775169858 MFSBYEFJSWCOAR-JTQLQIEISA-N 436.237 4.230 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCC[C@H](Cn2cnc3ccccc32)C1 776552591 YHXQATPWFMXKKF-IBGZPJMESA-N 447.539 4.487 5 20 IIBD O=C(CN(Cc1ccccc1F)C[C@@H](O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1F 776587825 OVNCPLZMPAFIAJ-JOCHJYFZSA-N 441.434 4.047 5 20 IIBD COc1ccc(CN(C)Cc2ncc(Cl)n2C)cc1OCc1ccc([N+](=O)[O-])cc1 779161476 OWQFPWIBHIZXKL-UHFFFAOYSA-N 430.892 4.201 5 20 IIBD CCOCCOc1ccc(Br)cc1NC(=O)c1cc([N+](=O)[O-])ccc1F 779452986 PYJZYTWWVXOHLZ-UHFFFAOYSA-N 427.226 4.164 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 780468766 RHMVKUADHPNWIX-INIZCTEOSA-N 435.524 4.058 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(OC)c1C(C)C 781296737 WZWDCNJLTYPRAG-CQSZACIVSA-N 430.457 4.228 5 20 IIBD O=C(Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)c1cccc([N+](=O)[O-])c1Br 782172415 KTJJMVADHDZRKD-LBPRGKRZSA-N 438.253 4.340 5 20 IIBD CCc1ccc(N2C(=S)N[C@H](c3ccc([N+](=O)[O-])s3)C(C(=O)N(C)C)=C2C)cc1 782247858 ICHQENMMHHFMGW-GOSISDBHSA-N 430.555 4.017 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1SC 783177674 KMNRYTZKYUDMSR-ZDUSSCGKSA-N 440.518 4.129 5 20 IIBD CC[C@H](Oc1ccccc1F)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 786536010 URAFXMDHYQPTDY-HNNXBMFYSA-N 444.337 4.092 5 20 IIBD Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CNC(=O)Nc2ccccc2Cl)c1 787103368 AHBLOOOUVCAXQN-UHFFFAOYSA-N 439.859 4.404 5 20 IIBD Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 788107638 IITHTHJSIUIQJE-UHFFFAOYSA-N 449.204 4.415 5 20 IIBD Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1cc([N+](=O)[O-])cc(Br)c1C 790168751 HOPVBVDXJPRLRN-PXNSSMCTSA-N 444.329 4.422 5 20 IIBD CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1 792471639 AHFYXLZGZFCNAY-GFCCVEGCSA-N 449.257 4.052 5 20 IIBD Cc1onc(-c2cccnc2)c1C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 794846383 OCWJTMCYTOWZQY-UHFFFAOYSA-N 444.403 4.425 5 20 IIBD O=C(Nc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1ccccc1 795291666 AVCLBVUGECUYFS-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD O=C(Cc1ncccc1F)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 795788423 LWMMWNIDXIRNAE-FQEVSTJZSA-N 443.818 4.248 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] 796440205 URXNMOZITCHFCZ-CYBMUJFWSA-N 434.876 4.413 5 20 IIBD O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)OCc1cc([N+](=O)[O-])ccc1Cl 797037281 ZRZHBLUKTUZAHZ-UHFFFAOYSA-N 432.281 4.199 5 20 IIBD CCn1ccnc1[C@@H]1CCCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br 797775587 FTASHVPCWFWUDW-ZDUSSCGKSA-N 425.258 4.080 5 20 IIBD CCOCC1(C(=O)O[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)CC1 799557706 VVXDMDLACPGZKY-GOSISDBHSA-N 432.860 4.288 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 809404825 UNGCUGQKVRBVSA-GOSISDBHSA-N 437.412 4.147 5 20 IIBD COCc1nnc(-c2cccc(C(=O)OCc3cc([N+](=O)[O-])ccc3C(F)(F)F)c2)o1 815229405 GSPZCDSSNBJNLY-UHFFFAOYSA-N 437.330 4.167 5 20 IIBD CCCCCn1c(=O)c2ccccc2n2c(S/C=C\c3ccc([N+](=O)[O-])o3)nnc12 825164099 DSWVZSMGUHSHNS-QBFSEMIESA-N 425.470 4.499 5 20 IIBD C[C@@H](OC(=O)CCNc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(Cl)ccc1Cl 842050021 KVZQPOUYVLYHMZ-LLVKDONJSA-N 426.256 4.274 5 20 IIBD Cc1cc(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)n1Cc1ccccn1 914903153 GWTSUTULEQQGQK-MRXNPFEDSA-N 447.451 4.424 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)c2cc(C)n(C)c2C)cc1 915442141 NWWKUIQJESNCNW-UHFFFAOYSA-N 438.436 4.391 5 20 IIBD Cc1ccc(S(=O)(=O)NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cc1 916752134 BWRDVBNZEXGPLZ-UHFFFAOYSA-N 428.491 4.173 5 20 IIBD CCCCN1C(=O)C[C@@H](C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)[C@H]1c1ccc(OC)cc1 916757868 FOBQFCLZTCTWOP-DYESRHJHSA-N 429.448 4.071 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2cc3c(Cl)c(Cl)ccc3[nH]2)c([N+](=O)[O-])c1 919205064 NMZWERUFDCKGEI-UHFFFAOYSA-N 438.223 4.187 5 20 IIBD O=C(NCc1nc(Cc2ccccc2)no1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 921038813 CEAREJJHMASBKB-UHFFFAOYSA-N 443.463 4.111 5 20 IIBD Cc1cc(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c(C)n1CC1CC1 1318283027 VVSTZHXEKZZOOF-FQEVSTJZSA-N 427.501 4.236 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1 1320207651 MSFKMYZCGVMPCY-UHFFFAOYSA-N 433.873 4.378 5 20 IIBD CC(C)(C)OC(=O)NCc1nnc(-c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)o1 1322661386 GFSHIRUQZWHVTF-UHFFFAOYSA-N 425.445 4.282 5 20 IIBD Cn1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(F)c4[N+](=O)[O-])CCC3)cc2)c1 1787238836 XHAVVZGKNDFFRI-UHFFFAOYSA-N 436.443 4.134 5 20 IIBD Cc1cc(F)ccc1C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1 1790188588 XBCWHJBFBHAGMC-UHFFFAOYSA-N 436.443 4.432 5 20 IIBD CC(C)O[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2)CCC1 1790697361 DWIVQZYDNQGUTN-HNNXBMFYSA-N 443.475 4.295 5 20 IIBD Cc1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2ccc(C)c([N+](=O)[O-])c2)C3)cc1 1801765153 ZMTHDCQBVSRWIE-NUNAXRQHSA-N 449.551 4.025 5 20 IIBD Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3ccc([N+](=O)[O-])o3)[nH]n2)c1 1820529014 BADGPFGFWMDOJI-RQMBKDMJSA-N 449.467 4.239 5 20 IIBD Cc1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)CC(C)(C)C)[nH]n2)cc1[N+](=O)[O-] 1820918722 FHUZTSVYUXZNKV-SFHVURJKSA-N 441.532 4.297 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(C)CCC2)CC1 1823709816 PSHDAAQAPGPAFY-HXUWFJFHSA-N 445.535 4.466 5 20 IIBD C[C@H](OC(=O)c1cc(Cl)cc(Cl)c1N)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 10960922 DCLQJNYAQVUFDU-ZETCQYMHSA-N 432.647 4.321 5 20 IIBD COc1cc(CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C2CC2)ccc1OC(F)F 16423777 ZULHCCANJFZJGC-UHFFFAOYSA-N 436.411 4.236 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)cc1[N+](=O)[O-] 17357049 CHVNJTITABJMKL-UHFFFAOYSA-N 431.514 4.109 5 20 IIBD CCCCc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 21680925 PDWJXJQYGOOHAD-CYBMUJFWSA-N 444.492 4.172 5 20 IIBD O=C(Nc1cccc(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1)c1ccccc1 57777045 HKJZYHVOEGQNRD-UHFFFAOYSA-N 445.479 4.201 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1C 60442198 WTADRGMWFOTLDE-UHFFFAOYSA-N 431.495 4.326 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NCc2ccc(-n3cnc4ccccc43)cc2)c1[N+](=O)[O-] 60874337 BIYJCKLBJNXXLQ-UHFFFAOYSA-N 433.424 4.255 5 20 IIBD Cc1ccc(NC(=O)CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c(Cl)c1 63601101 SLXDBPZZTJKLCM-UHFFFAOYSA-N 444.919 4.161 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1cccc(COc2ccc3c(c2)OCO3)c1 65447999 HCSHGLNGXUTZTH-UHFFFAOYSA-N 435.436 4.267 5 20 IIBD COc1ccc([C@@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)N(C)C)cc1OC 237245392 BNYYRVPEVIVPCY-LJQANCHMSA-N 442.541 4.128 5 20 IIBD COc1ccccc1[C@H](CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)N1CCCCC1 237269030 WAQJVHWUJQOBCK-QHCPKHFHSA-N 449.555 4.321 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N1CC[C@H](Nc2ccccc2)C1 301271590 XRIVJGYNKPXLKX-IBGZPJMESA-N 438.509 4.086 5 20 IIBD Cc1c(CNC(=O)c2cc(Cl)ccc2I)cccc1[N+](=O)[O-] 318076661 GFQITQNPNAPBIG-UHFFFAOYSA-N 430.629 4.091 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 427257306 OGTXXSVDQVRMLJ-INIZCTEOSA-N 438.267 4.154 5 20 IIBD O=C(NC[C@H]1CCC(F)(F)C1)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 430325120 RLAKHLHUZIPSNM-NSHDSACASA-N 441.481 4.298 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3ccc4nc(C)sc4c3)CC2)ccc1[N+](=O)[O-] 431416869 FYWGVBGUOHRFNA-UHFFFAOYSA-N 441.513 4.266 5 20 IIBD O=C(c1cccc(C(F)(F)F)c1)N1CCN(c2ccnc3c([N+](=O)[O-])cccc23)CC1 432317948 NQGGVBHUTNEOQY-UHFFFAOYSA-N 430.386 4.124 5 20 IIBD Cc1noc(-c2ccc(C(F)(F)F)cc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n1 432472830 PKGJTJJGBCWNFU-UHFFFAOYSA-N 442.375 4.081 5 20 IIBD COc1ccc(S(=O)(=O)Nc2c(C)cc(Br)cc2Cl)cc1[N+](=O)[O-] 436018221 RHLXWUTUVAWQIU-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD CCCCNC(=O)c1ccc(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1 436095927 COEXTBKBLQXIOO-UHFFFAOYSA-N 445.494 4.280 5 20 IIBD O=C(NCc1ccc(OCC2CC2)nc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436297943 YLRDFRHTNJBZJB-UHFFFAOYSA-N 435.430 4.073 5 20 IIBD Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 437467568 NHZNCXODXRSCBS-ZJSXRUAMSA-N 437.540 4.404 5 20 IIBD O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)c1 438787908 XBYNNVUBNKJTDQ-UHFFFAOYSA-N 425.182 4.177 5 20 IIBD Cc1c(CC(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)cccc1[N+](=O)[O-] 439066524 RBLAEEKXOWHIKO-UHFFFAOYSA-N 428.441 4.056 5 20 IIBD COc1ccc(NC(C)=O)cc1N(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(C)C 441611203 OBLPCXVXOJTCHS-UHFFFAOYSA-N 440.500 4.217 5 20 IIBD Cc1cnc(N2CCC[C@@H]2c2nc(-c3ccccc3Br)no2)c([N+](=O)[O-])c1 443504610 WUNYMPVQOGHUQA-CQSZACIVSA-N 430.262 4.452 5 20 IIBD O=C(N[C@@H]1CCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1)c1cc2ccccc2o1 446631083 JKXONVNYHXDOAO-CQSZACIVSA-N 427.844 4.029 5 20 IIBD Cc1ccc(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc1NC(=O)c1ccccc1 461409911 YRDYOCDRHDPDDD-UHFFFAOYSA-N 431.448 4.190 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1C[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 461454892 IPYBJBMRONKUMD-SJLPKXTDSA-N 433.430 4.208 5 20 IIBD Cc1sc2nc(CCC(=O)N3CCS[C@H]3c3ccc([N+](=O)[O-])cc3)nc(O)c2c1C 461700911 ADFNAVFMIHXJJO-FQEVSTJZSA-N 444.538 4.129 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(-c2ccc(CNC(C)=O)o2)cs1 462438826 FLKOPIVKOYUFGS-OAHLLOKOSA-N 442.497 4.155 5 20 IIBD CC(C)(C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1)c1ccc([N+](=O)[O-])cc1 465273867 DTOSKDWFDYROMW-UHFFFAOYSA-N 426.864 4.018 5 20 IIBD CC(C)COC[C@@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccco1 465820023 UCNKCXXFOUZEQH-HXUWFJFHSA-N 431.489 4.155 5 20 IIBD CCOc1cc(NC(=O)C(C)(C)c2ccc(OC)c(OC)c2)c([N+](=O)[O-])cc1OCC 466398148 YEQRWDZORDODLD-UHFFFAOYSA-N 432.473 4.326 5 20 IIBD O=C(NC[C@H]1CC(=O)N(C2CC2)C1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 468179452 SIFYVDAFGFECFH-CYBMUJFWSA-N 445.928 4.140 5 20 IIBD CC(C)Oc1ccc(-c2cccc([C@H](C)N(C)C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)c2)cc1 470158706 MSHAQHOQQUFYPF-FDDCHVKYSA-N 438.528 4.299 5 20 IIBD Cc1csc(Oc2ccc(NS(=O)(=O)CCc3ccccc3[N+](=O)[O-])cc2F)n1 470262882 DXXUFBJEIRNKMN-UHFFFAOYSA-N 437.474 4.276 5 20 IIBD CN(C)CC1CCN(c2ccccc2NC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 471214528 BOUFKCHRWDLCCP-UHFFFAOYSA-N 428.558 4.104 5 20 IIBD Cc1c(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cccc1NC(=O)N(C)C 471328823 NFFLACZTZKMTMU-UHFFFAOYSA-N 428.492 4.195 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cc1SC 472529124 NNJQKJNJJOSZTI-NSHDSACASA-N 446.460 4.314 5 20 IIBD O=C(NC[C@H]1CC2c3ccccc3C1c1ccccc12)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 472558744 FGAVMLGYZGGCEP-YCJKGERQSA-N 445.450 4.086 5 20 IIBD Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)c1cc([N+](=O)[O-])ccc1SCCO 472953060 QLASYEHQZCFGMZ-HNNXBMFYSA-N 426.498 4.046 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)cc2)cc1 473347917 UPXMXXGVCOOBLH-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2nc(C(C)(C)C)ns2)c(Cl)c1 474410451 NKEBLYKTEOKWNJ-UHFFFAOYSA-N 436.881 4.175 5 20 IIBD CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)n1 475211941 COKHGCZKFWASMG-NSHDSACASA-N 445.398 4.394 5 20 IIBD Cc1cc(C(=O)N2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)c(C)cc1Cl 476685321 CXOCUGPVOFCWOO-UHFFFAOYSA-N 427.892 4.094 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCc3ccc(F)cn3)c([N+](=O)[O-])c2)c(C)c1 477159432 CBYUQFOMASUCLC-UHFFFAOYSA-N 430.461 4.159 5 20 IIBD CCOc1cc(N2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3Cl)CC2)ccc1[N+](=O)[O-] 477379829 MWKKFNYKENUJIE-ZWKOTPCHSA-N 429.904 4.099 5 20 IIBD CCOc1cc(OCc2nc(-c3cc(Br)cs3)no2)ccc1[N+](=O)[O-] 478731292 FCDNXZMRFOGZMD-UHFFFAOYSA-N 426.248 4.447 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc2c(c1)nc(O)n2CC(F)(F)F 481133218 AKKJYWRJKKWKLQ-UHFFFAOYSA-N 436.390 4.263 5 20 IIBD O=C(Nc1ncn(Cc2ccc(Cl)cc2)n1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 482171915 UCOCGPLHYROGIT-UHFFFAOYSA-N 425.754 4.159 5 20 IIBD COc1c(C)cnc(CN2CCC(N(C)C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)c1C 485433393 DGGVCYAHBDWMSJ-UHFFFAOYSA-N 446.935 4.005 5 20 IIBD Cn1nc(-c2ccc(Cl)s2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 486572512 FHNGYRXZNBPTAT-UHFFFAOYSA-N 433.298 4.164 5 20 IIBD COC(=O)c1cc(NC(=O)Nc2cccc3c2CN(c2ccccn2)C3)c(C)c([N+](=O)[O-])c1 486872285 XPZKPVGVWDJCDY-UHFFFAOYSA-N 447.451 4.249 5 20 IIBD O=C(NCCc1nc(-c2cccc(Cl)c2)no1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 487354690 NZCJQHLXKQPCEY-UHFFFAOYSA-N 441.875 4.215 5 20 IIBD COc1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c(I)c1 487617464 AJRTYKNCIVAELT-SECBINFHSA-N 444.200 4.089 5 20 IIBD COc1ccc(NC(=O)CSc2nnc(-c3c(C)cc(C)cc3C)o2)c([N+](=O)[O-])c1 488779230 FOPZABTTZFMMNQ-UHFFFAOYSA-N 428.470 4.309 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2cc(C(C)(C)C)ccc2O)cc1[N+](=O)[O-] 490429276 DXEIKRUPLNKKFR-UHFFFAOYSA-N 427.486 4.130 5 20 IIBD O=C(NCC1(Cc2ccccc2)CCCC1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 490956330 USHBNLWOMGQQGI-GOSISDBHSA-N 441.553 4.180 5 20 IIBD CN1CC[C@@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 493919855 KFWTZXBWFXFYRW-YWZLYKJASA-N 433.911 4.474 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(COCc3ccccc3)cc2)cc1[N+](=O)[O-] 494078492 LBQPIALNBGQVCM-SFHVURJKSA-N 447.491 4.436 5 20 IIBD COc1ccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1Oc1ccc(C)nn1 498321040 CMNHZNSAQKWTJU-UHFFFAOYSA-N 433.424 4.157 5 20 IIBD O=C(CN1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1)N1CCc2ccc([N+](=O)[O-])cc21 502735679 BUGGYVBJKRFWIS-OAQYLSRUSA-N 449.486 4.240 5 20 IIBD CCC[C@H](N[C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1)C(=O)N1CCc2sccc2C1 504905548 KEIVAPZSESTXQV-YJBOKZPZSA-N 431.558 4.459 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](C)c1ccc(-n2cccn2)c(F)c1 505246814 ZYRHORLGQMNZOA-OLZOCXBDSA-N 432.839 4.218 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)c([N+](=O)[O-])c1 509630644 CIYJZKMKOYOEIY-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccsc1Br 511982965 QLUPSTQXPHWUEX-UHFFFAOYSA-N 427.323 4.295 5 20 IIBD Cc1cc(OC(F)F)c(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 512110067 NCMMOTPLQADNLA-UHFFFAOYSA-N 439.362 4.427 5 20 IIBD COCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccc(F)cc1Cl 514181814 CYZAPCWKBSTBMN-UHFFFAOYSA-N 430.263 4.128 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@@H]2CCCc3nc(O)ccc32)cc1[N+](=O)[O-])c1ccccn1 516575737 ZORSTNHCZYEJBC-IFXJQAMLSA-N 433.468 4.071 5 20 IIBD O=C(NC[C@@H]1COc2ccccc21)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 516679418 ODCXYDUJHMIMCM-OAHLLOKOSA-N 449.429 4.122 5 20 IIBD C[C@H]1CCCCN1Cc1ccc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 518658305 WKTXIBBWGGLVKO-HNNXBMFYSA-N 437.949 4.101 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCc3cccc(O)c3)c([N+](=O)[O-])c2)c(C)c1 519001446 CTCNNFDEDYMWMK-UHFFFAOYSA-N 427.482 4.330 5 20 IIBD CCOCc1ccccc1-c1noc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 519563871 CSSMZIJFVTUBHA-HXUWFJFHSA-N 436.468 4.467 5 20 IIBD COc1ccccc1CN(C[C@H]1CCCO1)C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 520410248 WVYUTWUVNKXYEY-MAUKXSAKSA-N 448.903 4.232 5 20 IIBD Cc1cc(S(=O)(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)ccc1[N+](=O)[O-] 522362983 JYWVPKOCUONMTD-MUUNZHRXSA-N 430.507 4.012 5 20 IIBD COC(=O)c1cc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)cc([N+](=O)[O-])c1 522924776 XIOCISIWLAVUBZ-UHFFFAOYSA-N 444.831 4.046 5 20 IIBD COc1ccc(N(Cc2cccs2)C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cc1 524049873 VNEUCDBLCNXGBE-UHFFFAOYSA-N 426.450 4.283 5 20 IIBD Cc1ccc(NCCCNC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 525318857 ATWOJRNGSYMJJS-LJQANCHMSA-N 440.500 4.023 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCC([C@H](O)C(F)(F)F)CC3)c([N+](=O)[O-])c2)cc1 532498904 YEJKOICGGRLDLI-IBGZPJMESA-N 437.418 4.295 5 20 IIBD O=C(Nc1ccccc1Br)C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 532695581 NRYYNIOBPSIYHM-UHFFFAOYSA-N 448.317 4.087 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Nc2cccc3c2CN(c2nccs2)C3)c([N+](=O)[O-])c1 535399910 KMVQCFRKMDHTSD-ZDUSSCGKSA-N 439.497 4.019 5 20 IIBD O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCC[C@H]1[C@H](O)C(F)(F)F 535443348 UHFYCFJKRNVABX-IRXDYDNUSA-N 426.416 4.274 5 20 IIBD COc1ccc(-c2nc(SCc3coc(-c4ccc([N+](=O)[O-])cc4)n3)n[nH]2)c(OC)c1 535504524 ZKZNGXSKTZUWFM-UHFFFAOYSA-N 439.453 4.344 5 20 IIBD COc1ccnc2c(NC(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)cccc12 535769676 WXLFIIPECMRIEZ-UHFFFAOYSA-N 431.452 4.266 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cccc(NC(=O)NCc2ccncc2)c1 537687377 DSLSQSNZYNATEJ-UHFFFAOYSA-N 433.468 4.489 5 20 IIBD C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 537945106 APJSQYLLJFZVOV-YGHRGLEHSA-N 448.926 4.387 5 20 IIBD C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1cccc(OC(F)F)c1 540322114 ADOYTIHSYXUXMP-JTQLQIEISA-N 444.232 4.248 5 20 IIBD O=C(NCc1nc(-c2ccncc2)no1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 542658999 IJRGOPZDTBALIT-UHFFFAOYSA-N 439.497 4.252 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 543174690 QQMJBMLCDFGEGS-GOSISDBHSA-N 440.283 4.193 5 20 IIBD Cc1cc(-c2noc([C@@H](C)N[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)n2)ccc1F 543551803 PNVRIJSESHLYBF-NWDGAFQWSA-N 447.854 4.424 5 20 IIBD Cc1cc(C(=O)NCC(=O)Nc2cccc(Cl)c2SCC(F)F)ccc1[N+](=O)[O-] 543879194 SMILKCDVDDYJDU-UHFFFAOYSA-N 443.859 4.282 5 20 IIBD Cc1ccc([C@H](C)NC(=O)Nc2ccc(-c3nnnn3C(C)C)c(F)c2)cc1[N+](=O)[O-] 543963729 QYXVXMMSLHSOFU-ZDUSSCGKSA-N 427.440 4.159 5 20 IIBD COc1cc(CCNC(=O)N2CC=C(c3cccc4ccccc34)C2)c([N+](=O)[O-])cc1OC 544623218 QQAGXXOIUZQIKL-UHFFFAOYSA-N 447.491 4.417 5 20 IIBD Cc1ccccc1C(NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1C 544826743 HJULDFRVCSBBNG-UHFFFAOYSA-N 449.532 4.308 5 20 IIBD Cc1nn(Cc2ccc(-c3nc(-c4ccccc4-n4cccn4)no3)cc2)c(C)c1[N+](=O)[O-] 545669937 PIIHZKBZVJZULJ-UHFFFAOYSA-N 441.451 4.359 5 20 IIBD COc1cc(Cc2noc(-c3nc(C(C)C)n(-c4ccccc4F)n3)n2)ccc1[N+](=O)[O-] 546468286 ISSFNOXMACYGHW-UHFFFAOYSA-N 438.419 4.087 5 20 IIBD Cc1c(Cc2nc(CS(=O)(=O)c3cc(Cl)ccc3Cl)no2)cccc1[N+](=O)[O-] 546948433 SJNPKEXDKCKOAK-UHFFFAOYSA-N 442.280 4.158 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(-c2nc(-c3cc(OCC(F)F)ccn3)no2)c1 547261196 NSHNQEZWYNGTND-UHFFFAOYSA-N 427.161 4.113 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1cccc(CSC2CCCC2)c1 555299396 JHJLXRDWRWMNOT-UHFFFAOYSA-N 441.553 4.410 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 557566513 SDUQGAQQFNLYEJ-UMFSSWHCSA-N 438.527 4.186 5 20 IIBD COc1cc(CN[C@@H](C)c2ccc(OC)c(OC)c2C)c([N+](=O)[O-])cc1OC(F)F 558151182 VLRBBTOXYUZFIV-LBPRGKRZSA-N 426.416 4.381 5 20 IIBD O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1)CC3 558523433 HEWLXQDYVWYBES-WQLSENKSSA-N 446.444 4.071 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NC[C@H]3COc4ccccc43)cc2[N+](=O)[O-])n1 561899860 OCQTVKQAZAFPRM-AWEZNQCLSA-N 427.507 4.417 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(-c4cc(COc5ccccc5F)on4)n3)c2c1 561906679 SPJHREBLHSCOFX-UHFFFAOYSA-N 435.371 4.423 5 20 IIBD C[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)cc1F 570152477 UFBCEXCXWQFFNY-SECBINFHSA-N 430.661 4.439 5 20 IIBD CC[C@H](NC(=O)Cc1noc(-c2cc([N+](=O)[O-])ccc2C(F)(F)F)n1)c1ccccc1 574589187 JHFVAXHJTNAUGL-INIZCTEOSA-N 434.374 4.474 5 20 IIBD O=C1C[C@@H](c2noc(-c3cc([N+](=O)[O-])ccc3C(F)(F)F)n2)CN1Cc1ccccc1 575442267 SMPMTRFJPFIBCZ-CYBMUJFWSA-N 432.358 4.180 5 20 IIBD Cn1cc(-c2ccc3c(c2)C(C)(C)CN3CC2CN(Cc3ccccc3[N+](=O)[O-])C2)cn1 579497439 FFXKJCLSSOKXQO-UHFFFAOYSA-N 431.540 4.225 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1SCC(F)(F)F 591760450 GNBPVGXNJCWLNN-LLVKDONJSA-N 427.404 4.006 5 20 IIBD Cc1cccc(OCc2nnc(S[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)o2)c1 595296817 LGZFIZUJUKGSPT-CQSZACIVSA-N 428.470 4.293 5 20 IIBD Cc1ccc(C(C)C)c(Oc2ccc([C@@H]3NC(=O)[C@H]4CSCCN43)cc2[N+](=O)[O-])c1 602755735 JBFKACACXUTKIH-WIYYLYMNSA-N 427.526 4.365 5 20 IIBD COc1cccc2c1OCC[C@@H]2NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 604570769 JRIZCDRLWIJAMS-BEFAXECRSA-N 448.479 4.425 5 20 IIBD Cc1nc(CNC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)nc2ccccc12 608809076 OUOVYPAYDXAATQ-HZPDHXFCSA-N 433.512 4.259 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1nnc(Cc2ccccc2F)s1 609375806 IXMMOMSUPMASBE-SNVBAGLBSA-N 436.852 4.236 5 20 IIBD CCCCN(C)C(=O)c1ccccc1S(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 609449655 KRGGRRLIWKYLBT-UHFFFAOYSA-N 447.557 4.066 5 20 IIBD C[C@H]1SCCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H]1C 609819466 MAOHDCNSQCFOGA-IAGOWNOFSA-N 436.537 4.342 5 20 IIBD COc1cc(C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2Cl)c([N+](=O)[O-])cc1OC(F)F 610117740 VBXDIVGPGDIPGB-UFBFGSQYSA-N 430.766 4.283 5 20 IIBD COc1ccc2c(c1)OCC[C@@H]2NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 610234085 CUNUMCXQKNLRBN-YWZLYKJASA-N 448.479 4.425 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC(Cc2ccc(C(F)(F)F)cc2)C1 610660147 FYSMFVFSNUFTOH-UHFFFAOYSA-N 430.386 4.114 5 20 IIBD NC(=O)CN(C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)C1CCCC1 613396778 HFCLADNFEIGBNB-UHFFFAOYSA-N 433.917 4.270 5 20 IIBD O=C(c1coc(C2CC2)n1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 614396111 VSBKLNTYFCMSDV-UHFFFAOYSA-N 438.509 4.147 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C 725799106 RFOVMSXNYFATSU-WOJBJXKFSA-N 446.548 4.096 5 20 IIBD O=C(OC(Cc1ccccc1)Cc1ccccc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 726344066 DYFOCAJWWJXGTR-UHFFFAOYSA-N 428.448 4.186 5 20 IIBD O=[N+]([O-])c1ccc2oc(=S)n(CN3CCC(c4nc(-c5ccccn5)no4)CC3)c2c1 726592009 BSTFHAXAKIBEHC-UHFFFAOYSA-N 438.469 4.154 5 20 IIBD COc1cccc([C@H](C)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)c1 727330211 OEJAHHAXROOGJQ-AWEZNQCLSA-N 437.418 4.075 5 20 IIBD Cc1ccccc1-c1nc(C(=O)OCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cs1 727632411 RRRAWWIIAXCQEF-UHFFFAOYSA-N 445.884 4.267 5 20 IIBD Cc1nc(CC(C)C)sc1C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 727916264 ZDXROIUFCXVNMM-NSHDSACASA-N 425.894 4.396 5 20 IIBD O=C(NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 727950726 UDHZFKKOZWLGQL-WDEREUQCSA-N 449.699 4.164 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1)c1ccsc1 728886596 PAIYLGYDLNYGSM-UHFFFAOYSA-N 434.433 4.314 5 20 IIBD Cc1cc([N+](=O)[O-])cnc1N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 731028375 XQYFGOWDUWEARR-UHFFFAOYSA-N 439.497 4.257 5 20 IIBD C[C@@H]1CCC[C@H](OCC(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 733020160 FFYGRDIHLHPEQX-BZPMIXESSA-N 432.395 4.079 5 20 IIBD COc1cc(CN2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F 733200262 KUSXBEDQOQIMKU-CHWSQXEVSA-N 445.463 4.035 5 20 IIBD COc1ccc(NC(=O)OC(C)(C)C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 734740397 MSTKSRVADRGWJY-UHFFFAOYSA-N 437.474 4.060 5 20 IIBD CC(C)(C(=O)Oc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 739522711 ORFQGBKTZIGBJM-UHFFFAOYSA-N 425.462 4.311 5 20 IIBD Cc1ccc(C(=O)N2CCC[C@@H](COC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)o1 744094461 ZRAXQDVSRNKHPV-CYBMUJFWSA-N 440.374 4.224 5 20 IIBD CCOc1cc(N2CCC(OC(=O)COc3cccc(Cl)c3)CC2)ccc1[N+](=O)[O-] 744201370 LZIVIULAUGRYME-UHFFFAOYSA-N 434.876 4.238 5 20 IIBD CCOc1cc(C(=O)O[C@@H]2CCCN(c3ccccc3Cl)C2=O)c([N+](=O)[O-])cc1OC 744518712 WLGWSICEPONPCE-QGZVFWFLSA-N 448.859 4.008 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(F)cc1F 748929648 HBZJAIXBSYZBPO-NSHDSACASA-N 447.419 4.489 5 20 IIBD CC(C)[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1nc(C2CC2)no1 750864612 ODJRWNWZDTXKGY-ZDUSSCGKSA-N 443.685 4.398 5 20 IIBD CC(C)N(C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOCC2)cc1 751179885 BRCYLHYYIQYWCM-KRWDZBQOSA-N 429.542 4.354 5 20 IIBD C/C(=C\C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc([N+](=O)[O-])cc1 752342554 CVQQPOZPFZEJRI-LMMOQWNQSA-N 433.804 4.130 5 20 IIBD O=[N+]([O-])c1cccc2c1CCN2Cn1nc(-c2cccs2)n(C[C@@H]2CCCO2)c1=S 754776277 JDRCALKCLUOQFH-AWEZNQCLSA-N 443.554 4.250 5 20 IIBD C[C@@H](C(=O)OCC(=O)NCc1ccccc1OC1CCCC1)c1ccc([N+](=O)[O-])cc1F 755067894 QQXHEAJMNIGELW-OAHLLOKOSA-N 444.459 4.018 5 20 IIBD Cc1ccc(-c2nc(C(=O)O[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cs2)n1C 758570824 DYGVEDSZQAOWER-NSHDSACASA-N 448.888 4.203 5 20 IIBD Cc1c(C(=O)Nc2cnc(Cl)c(Br)c2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] 759292753 HYQHMLUVGBTGQX-UHFFFAOYSA-N 429.614 4.183 5 20 IIBD O=C(CCCc1nc(-c2ccc(F)cc2)no1)O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 759946048 IKHYTDDHNMYZCF-DLBZAZTESA-N 443.435 4.030 5 20 IIBD CN(C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)nn1 760543157 OJVLOBHFLLXRIU-UHFFFAOYSA-N 448.870 4.096 5 20 IIBD COc1ccc(COc2ccc(-c3noc(-c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)n3)cn2)cc1 761858476 QXGJMKBYYHWSBC-UHFFFAOYSA-N 449.379 4.203 5 20 IIBD CC(C)(C(=O)NC[C@H](O)c1cccc(OCc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 762529225 WBZRUCRCZHHAFF-QHCPKHFHSA-N 434.492 4.301 5 20 IIBD Cc1cnc(C2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)CC2)s1 762731591 CMBBLWRNILXHAK-UHFFFAOYSA-N 428.283 4.281 5 20 IIBD O=[N+]([O-])c1ccc(N[C@@H]2CCO[C@H](C3CC3)C2)c([N+](=O)[O-])c1N[C@H]1CCO[C@@H](C2CC2)C1 765080959 QRWPRFBOXYPSHC-GIYDNNGJSA-N 446.504 4.242 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 765408006 POQOYYDEPRNSDY-RTBURBONSA-N 433.549 4.269 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(O)(c2ccccc2Cl)CC1 765616481 DOVABYGXNVFZAM-CYBMUJFWSA-N 439.295 4.179 5 20 IIBD CN(Cc1cccc(C(N)=O)c1)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 768926200 JPOIUNKKMYGZLC-UHFFFAOYSA-N 441.491 4.178 5 20 IIBD Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)NCCc2ccccc2[N+](=O)[O-])c1 769129394 XHRBLDQXQBSWAH-DEOSSOPVSA-N 433.508 4.391 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H]1C[C@@H](O)c1cccs1 771004483 IDDNEEIITKBSCK-UKRRQHHQSA-N 425.304 4.147 5 20 IIBD CCn1c(Sc2ccc(S(=O)(=O)C(F)F)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 771239015 RJBMGSDPTOBSMQ-UHFFFAOYSA-N 440.453 4.021 5 20 IIBD C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 772203121 SLJBZMHRRBLSDN-UKRRQHHQSA-N 446.529 4.236 5 20 IIBD CCc1nc(C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)co1 772393016 CEEOSFSSVQKHPY-SFHVURJKSA-N 429.816 4.335 5 20 IIBD C[C@@H](NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@H](OC1CCOCC1)c1ccccc1 773084199 QIJSRQHJIOIPFY-KBMIEXCESA-N 439.556 4.479 5 20 IIBD O=C(NCc1cnn(-c2ccc(Br)cc2)c1)c1cccc(Cl)c1[N+](=O)[O-] 773173385 VGCQRRIPXWTUTI-UHFFFAOYSA-N 435.665 4.126 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)[C@@H](C)c2c(C)n[nH]c2C)c2ccccc2)c([N+](=O)[O-])c1 776292006 ZOXFJYCQTWQIKZ-QKKBWIMNSA-N 436.468 4.270 5 20 IIBD O=C(N[C@H]1CCCOc2c(F)cccc21)c1cc(F)cc([N+](=O)[O-])c1Br 778494514 VYIXGDTUXAMOTK-ZDUSSCGKSA-N 427.201 4.279 5 20 IIBD CC(C)(C)Sc1cc(C(=O)OCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)ccn1 778862088 IPYDVDYRFWCYBD-UHFFFAOYSA-N 431.470 4.035 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)N[C@H](C)c1ccc(Cl)cc1 778892689 PBGWFGDFNZBIQI-MNOVXSKESA-N 442.802 4.272 5 20 IIBD C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)[C@H]1CCCN(C2CCC2)C1 781402320 PRFMEGKUWCTJOG-RYUDHWBXSA-N 444.757 4.394 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 782075618 UQNRQZSVYUQBOL-LJQANCHMSA-N 427.482 4.433 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 785121896 LFOZOMBCEHAQMR-GFCCVEGCSA-N 441.793 4.222 5 20 IIBD Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C 785250222 VEJHTPJYTIXOGG-QGZVFWFLSA-N 447.923 4.020 5 20 IIBD C[C@H]1CC(=O)Oc2cc(OC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])ccc21 785377540 DNCQGGYITQVOSP-JTQLQIEISA-N 425.315 4.168 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C(=O)OCc1ccccc1 786129687 OXBHMZNFNBITHS-GOSISDBHSA-N 447.285 4.014 5 20 IIBD O=C(Nc1ccccc1C(=O)OCc1ccc(F)cn1)c1ccc([N+](=O)[O-])cc1Cl 787606309 PTPLPTPFGQTIOM-UHFFFAOYSA-N 429.791 4.392 5 20 IIBD C[C@H](CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Oc1ccccc1Br 790558796 VQGMTYYBDHCJLW-SNVBAGLBSA-N 445.672 4.276 5 20 IIBD CCCNC(=O)c1ccc(Cl)cc1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790844823 VKWAVUAFWYPZPJ-UHFFFAOYSA-N 428.247 4.362 5 20 IIBD Cc1nccc(-c2cccc(NS(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)c2)n1 791433807 YOAAUGRRIHUXKJ-UHFFFAOYSA-N 439.280 4.468 5 20 IIBD Cc1c(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc(Br)cc1[N+](=O)[O-] 797580796 LBFMKWSWDODEIY-UHFFFAOYSA-N 439.178 4.043 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)C(C)(C)C 798808193 CKDQSRHFYVOVEZ-CQSZACIVSA-N 444.326 4.027 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 800144376 XKVACXSBNMKSJW-HXUWFJFHSA-N 435.411 4.237 5 20 IIBD CC(C)(C)n1ncnc1COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 801198000 MSKZOVDMNIBQDO-UHFFFAOYSA-N 442.859 4.183 5 20 IIBD O=C(OCc1c(F)cc([N+](=O)[O-])cc1F)c1cnn(-c2ncccc2Cl)c1C(F)F 803342822 NCQKIMOEFCBNCY-UHFFFAOYSA-N 444.728 4.402 5 20 IIBD COCCC[C@H](CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 807660986 GXRUODLJTRXNCF-OAHLLOKOSA-N 435.864 4.405 5 20 IIBD CC[C@@H](c1cccc(OC)c1)N(C)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 808324508 KOFMWEGRXBHRQS-HNNXBMFYSA-N 443.319 4.138 5 20 IIBD C[C@@H](Oc1ccccc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(F)(F)F 808869640 MWTCZNCNLRLMRU-CQSZACIVSA-N 438.406 4.279 5 20 IIBD O=C(Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1)c1cc([N+](=O)[O-])ccc1F 808902417 RUIPDKBMHIFAEK-UHFFFAOYSA-N 428.323 4.403 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)c3ccccc32)c1 809862044 LOCYRJVHANPLOD-UHFFFAOYSA-N 447.513 4.162 5 20 IIBD C[C@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810352598 SXZXBAJIPCAMFA-SNVBAGLBSA-N 440.681 4.169 5 20 IIBD CC(C)N(C)S(=O)(=O)c1ccc(CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 811475150 CEKDSIFNBFYROP-UHFFFAOYSA-N 446.356 4.220 5 20 IIBD CCOc1ccc([C@@H](O)C2CCN(c3c(Br)cncc3[N+](=O)[O-])CC2)cc1 812482618 LIANISYLIYGPSN-LJQANCHMSA-N 436.306 4.101 5 20 IIBD COc1cc(/C=C/c2nc(CCC(C)(C)[N+](=O)[O-])no2)ccc1OCc1c(C)noc1C 812814772 PYZDAQVYAAOMLW-VQHVLOKHSA-N 442.472 4.420 5 20 IIBD CC(C)(C)OC(=O)N1CCN(C(=O)CSc2ccccc2[N+](=O)[O-])c2ccccc21 813278591 MJAPPAMMUVFRBR-UHFFFAOYSA-N 429.498 4.475 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1sccc1S(=O)(=O)C(F)F 815207563 DHDVINBLTZHQHC-UHFFFAOYSA-N 445.343 4.028 5 20 IIBD COc1cccc(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1OC(F)F 849197017 PBQOZGQTGGBEBO-VIFPVBQESA-N 444.774 4.042 5 20 IIBD CC(=O)Nc1ccc(OC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cc1 898615775 LNFSTCIOPSYWEL-UHFFFAOYSA-N 447.447 4.069 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1-c1nc(CCc2ccccc2)no1 904584750 UOIUNGRLQOOFSS-UHFFFAOYSA-N 435.221 4.343 5 20 IIBD O=C(COC(=O)CCOc1ccc2ccccc2c1)Nc1cc(Cl)ccc1[N+](=O)[O-] 914914491 KPLDGQNKEDQRPB-UHFFFAOYSA-N 428.828 4.352 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 918444402 SFFLTJFELAOICG-UHFFFAOYSA-N 442.834 4.123 5 20 IIBD COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 918616132 UAAHIVFDDVAVDG-INIZCTEOSA-N 449.301 4.187 5 20 IIBD Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])on2)cc1 919100781 ZHVNWJOXLYGHSI-UHFFFAOYSA-N 449.341 4.373 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 919491429 ASTVOLIYUCVBEO-QFIPXVFZSA-N 438.411 4.426 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2cnn(-c3ccccc3)c2)c(-c2cccs2)c1 921069343 RMVPERLACNKANN-UHFFFAOYSA-N 427.463 4.277 5 20 IIBD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(C(C)(C)c3ccc([N+](=O)[O-])cc3)o2)c1 1118356610 APWOYMONGJDIPQ-UHFFFAOYSA-N 444.513 4.001 5 20 IIBD O=[N+]([O-])c1cccc(OCc2nnc(-c3nc(-c4ccccc4)n(-c4ccccc4)n3)o2)c1 1322047348 AUZGMFGQYDPMMB-UHFFFAOYSA-N 440.419 4.472 5 20 IIBD CN(Cc1csc(Br)c1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1N 1344691280 JBSVWQYYKWHGQW-UHFFFAOYSA-N 449.124 4.036 5 20 IIBD COc1ccc(CC(=O)NC2(c3ccc(NC(=O)C4CCC4)cc3)CCC2)c([N+](=O)[O-])c1 1787606044 CEPSRAVAHXZUKG-UHFFFAOYSA-N 437.496 4.080 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)C4CC(C)(C)C4)cc3)CCC2)ncc1[N+](=O)[O-] 1791649769 MUEYMMLCXVMTFV-UHFFFAOYSA-N 436.512 4.482 5 20 IIBD CC/C=C(\C)C(=O)Nc1ccc(C2(NC(=O)c3nc(OC)ccc3[N+](=O)[O-])CCC2)cc1 1792062199 LYXCYSNZIWZLLA-GIDUJCDVSA-N 438.484 4.102 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1C1CC1 1803522598 FABQULNQPWUWBE-DOAYCCPBSA-N 445.519 4.437 5 20 IIBD CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CSc2ccccc2[N+](=O)[O-])[nH]n1 1816835566 RPZSDQLKUGEECU-OAHLLOKOSA-N 445.545 4.148 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])n[nH]1 1823500490 BCKZTOMXIPFZTO-ONHSTZBPSA-N 439.516 4.460 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCC([C@H]2CCCCN2C(=O)C2CCCCC2)CC1 1826279505 QIYXFBUJZNTJIF-FKVRIVCVSA-N 443.544 4.401 5 20 IIBD CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CSc2ccccc2[N+](=O)[O-])CC1 1831775681 GCCLJYMRWOBZQK-GOSISDBHSA-N 447.601 4.353 5 20 IIBD Cc1ccc(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C3)cc1Cl 1841152049 XSEFDZXMUVKMJD-MDZDMXLPSA-N 439.899 4.087 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC2(CCCN2C(=O)c2ccccc2C2CC2)C1 1846779915 BHBVZMZWEMKVMI-OUKQBFOZSA-N 431.492 4.003 5 20 IIBD O=C(/C=C/Sc1ccccc1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 15612542 IVMXTZKUBRZYHJ-ZHACJKMWSA-N 447.519 4.129 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 21841389 SDUXAVITMRACDT-NRFANRHFSA-N 437.839 4.062 5 20 IIBD COc1ccc(NC(=O)CSc2nc3cc4ccccc4cc3c(=O)n2C)cc1Cl 22252885 VBJKHRZHHDFQIC-UHFFFAOYSA-N 439.924 4.480 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(OCc2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])c1 24249310 RYIIJMXVQRQIHG-UHFFFAOYSA-N 448.419 4.103 5 20 IIBD C[C@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)Nc1ccc(F)cc1Cl 24661868 WRIFUXGEVWWUCY-ZDUSSCGKSA-N 449.866 4.174 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cccc1[N+](=O)[O-] 25374451 KJSKCMXOGQBULF-LLVKDONJSA-N 429.410 4.210 5 20 IIBD CC(=O)Nc1cc(NC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])ccc1C 57646446 TXFRJSCHLPJLED-IBGZPJMESA-N 442.472 4.066 5 20 IIBD CCOC(=O)c1sc2nc(CN(C)C)nc(Oc3cc(C)ccc3[N+](=O)[O-])c2c1C 60552051 SYLOKPKSKHCTOX-UHFFFAOYSA-N 430.486 4.247 5 20 IIBD COc1ccc(CCNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(OC)c1 63610564 PXNGBRLRHICSQK-UHFFFAOYSA-N 444.431 4.082 5 20 IIBD CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)COc1ccc([N+](=O)[O-])cc1 68952260 YLBSUOBEAQDOFH-UHFFFAOYSA-N 440.283 4.158 5 20 IIBD COc1ccc(CSCC(=O)NCCOc2cccc3ccccc23)cc1[N+](=O)[O-] 108335273 VWMYBYIJKGLTBG-UHFFFAOYSA-N 426.494 4.185 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 109006798 VSTBHHMPZDRASS-JKSUJKDBSA-N 437.562 4.181 5 20 IIBD C[C@H]1Oc2ccc(C(=O)C3CCN(c4ccc(Cl)cc4[N+](=O)[O-])CC3)cc2NC1=O 301149390 LUMHRLZMEIVVNR-GFCCVEGCSA-N 429.860 4.067 5 20 IIBD O=[N+]([O-])c1cc(Cl)c(NCc2ccc(N3CCCS3(=O)=O)c(F)c2)c(Cl)c1 302425229 OSMGEHRITOVCGV-UHFFFAOYSA-N 434.276 4.193 5 20 IIBD C[C@H](Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])[C@H](O)c1ccc(F)cc1 302515888 ACRSPMXXOWXMLO-QKKBWIMNSA-N 445.472 4.069 5 20 IIBD Cc1cc(Br)cnc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 430107503 QAUIIVBZCBMIIO-UHFFFAOYSA-N 429.068 4.004 5 20 IIBD Cc1cc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)ccc1OC1CCOCC1 431447989 JOFMIWMAVKBVGR-UHFFFAOYSA-N 435.274 4.476 5 20 IIBD O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 431913116 LIGRDBAKPYUWQN-UHFFFAOYSA-N 429.388 4.400 5 20 IIBD C[C@H](NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C(=O)N1Cc2ccccc2C1 432166617 MNRLQPPDHIIKEN-INIZCTEOSA-N 446.463 4.440 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 435635737 IJPFSDCLYCUSLG-QFIPXVFZSA-N 448.527 4.069 5 20 IIBD C[C@H](COc1ccc(F)cc1F)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436144977 SBWHIEPRHVVVLL-LLVKDONJSA-N 444.384 4.435 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N(C)C[C@H](C)c2ccccc2)cc1[N+](=O)[O-] 439243466 CIQGVLHCKQQWDM-LBPRGKRZSA-N 427.320 4.090 5 20 IIBD Cc1c(NC(=O)NC2(c3noc([C@H]4CCOC4)n3)CCCCCC2)cccc1[N+](=O)[O-] 439309131 DACMXOPSBIMSSK-HNNXBMFYSA-N 429.477 4.161 5 20 IIBD CC(C)[C@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 439650546 FEGHOKDFFBQOLL-IBGZPJMESA-N 437.418 4.247 5 20 IIBD Cc1cc(C)c(NC(=O)CN(C)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c(C)c1 440113271 YNIPVHHECFRBIN-UHFFFAOYSA-N 426.517 4.123 5 20 IIBD O=C(c1c[nH]nc1-c1cc2ccccc2o1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 444117085 RJUOZDUOZZHXGA-UHFFFAOYSA-N 432.436 4.415 5 20 IIBD O=C(Cc1noc(-c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1)Nc1ccccc1Cl 445326562 ZSOBPEPLLFINSR-UHFFFAOYSA-N 426.738 4.498 5 20 IIBD Cn1cnc([N+](=O)[O-])c1-c1noc(Cc2csc(-c3ccc(Cl)cc3Cl)n2)n1 445572719 SVCAQSYRNBWFIZ-UHFFFAOYSA-N 437.268 4.399 5 20 IIBD O=C(N[C@@H](CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1)c1ccccc1 446431095 IMWGGGRGUBFYDW-QHCPKHFHSA-N 429.476 4.041 5 20 IIBD O=C(Nc1ccc(OC2CCCC2)c(F)c1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 460441392 WEDSXANITKFOSW-MRXNPFEDSA-N 447.488 4.360 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 462589332 HDBMBYLHTMMNHU-UHFFFAOYSA-N 431.297 4.134 5 20 IIBD C[C@H](c1ccc(Br)cc1)N1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 462904048 GRDSNMQMYVSDDI-GFCCVEGCSA-N 425.714 4.289 5 20 IIBD CCO[C@@H](C)c1nc(CN2CCN(C(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)CC2)cs1 463958617 MEXJVWBFYWDCQW-INIZCTEOSA-N 447.561 4.115 5 20 IIBD Cc1sc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)nc1-c1ccc2c(c1)CCC2 464087054 JXIHLZDLHDHRJN-UHFFFAOYSA-N 446.492 4.348 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)N2CCC(C(F)(F)F)CC2)cc1[N+](=O)[O-] 464504177 GSEAEQYMQHGTTL-UHFFFAOYSA-N 449.429 4.306 5 20 IIBD Cc1cc(C(=O)CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(C)n1CC(F)(F)F 464779812 PYWITEPGWHSGIX-UHFFFAOYSA-N 439.434 4.302 5 20 IIBD COc1ccc(CNC(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)cc1[N+](=O)[O-] 465732963 WXXYONNJZCFVLU-UHFFFAOYSA-N 425.485 4.193 5 20 IIBD C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 466268282 XGZLMHSUMNQSBP-CYBMUJFWSA-N 436.281 4.015 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2noc(C(F)(F)F)n2)cc1 466291260 VJNYQKUJQKBUJC-UHFFFAOYSA-N 426.738 4.247 5 20 IIBD COC(=O)CCSCc1cccc(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1 467327685 LWJSXYNOFVSRFV-UHFFFAOYSA-N 437.905 4.366 5 20 IIBD COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 468810722 CKLKXPCLHBFXNO-ZIAGYGMSSA-N 442.921 4.010 5 20 IIBD COc1ccc2c(c1)CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H](c1ccccc1)C2 468861282 GFKKBONLWKLKLW-QHCPKHFHSA-N 447.491 4.350 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CC3(CCCC3)c3cccc(F)c32)cc1OC 470109679 CPVIKICDKJCGNW-UHFFFAOYSA-N 444.459 4.240 5 20 IIBD CCOc1cc(C(=O)Nc2cc(Cl)ccc2O[C@@H](C)COC)c([N+](=O)[O-])cc1OC 471176789 HVPUIDATPCCBSZ-LBPRGKRZSA-N 438.864 4.322 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2)c1 477263056 HGWOICVQCPWHMM-GFCCVEGCSA-N 425.432 4.344 5 20 IIBD Cc1c([N+](=O)[O-])cn(Cc2nc(-c3c(F)cccc3F)cs2)c(=O)c1Br 479173085 WWWSPUXKGHXUPI-UHFFFAOYSA-N 442.241 4.277 5 20 IIBD COc1cccc(OC)c1S(=O)(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 479483037 YGGJCPLWAZRCOQ-UHFFFAOYSA-N 430.438 4.205 5 20 IIBD Cc1c(CNC(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cccc1[N+](=O)[O-] 480067093 FPBAOUVCBINVSG-QGZVFWFLSA-N 439.447 4.182 5 20 IIBD Cc1ccc2c(C(=O)N3CCCN(c4nc5ccc([N+](=O)[O-])cc5[nH]4)CC3)csc2c1 480951072 IFMLTEDOMRZKIR-UHFFFAOYSA-N 435.509 4.347 5 20 IIBD COc1ccc(C(=O)Nc2nc3cc(F)c(Br)cc3s2)cc1[N+](=O)[O-] 481280038 BOHNASKYQSWYFC-UHFFFAOYSA-N 426.223 4.367 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 483224861 OMIJFOPZNUTVNO-SNVBAGLBSA-N 436.394 4.103 5 20 IIBD CN(C)C(=O)Nc1ccc(Cl)c(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 486713536 SETWWYBXKWIFGE-UHFFFAOYSA-N 444.797 4.291 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 486717229 NMMPSGFJFZNTRQ-UHFFFAOYSA-N 432.402 4.275 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@@H](C)c2ccc(Br)s2)c(C)c([N+](=O)[O-])c1 486887854 TYVZMTUKRRRJGT-VIFPVBQESA-N 442.291 4.397 5 20 IIBD C[C@@H](NC(=O)[C@](N)(c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 488010105 AKJLFHIOCHZJRT-QLJPJBMISA-N 435.324 4.207 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)CCNC(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] 488113214 TYOPXBACSMTNIR-CYBMUJFWSA-N 449.305 4.055 5 20 IIBD COC(=O)c1cc(C(=O)Nc2cc(-c3cccc(C(F)(F)F)c3)nn2C)cc([N+](=O)[O-])c1 489996306 KUFWYZGGOISNMY-UHFFFAOYSA-N 448.357 4.053 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cc(C(C)C)on3)cc2)cc1[N+](=O)[O-] 490429268 JDYVVSUNEGFCBK-UHFFFAOYSA-N 444.469 4.068 5 20 IIBD CC(=O)Nc1ccc(Br)cc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 498223285 HLGLSPJLUWWUOX-UHFFFAOYSA-N 444.188 4.169 5 20 IIBD O=C(c1ccccc1)c1ccc(NCc2ccnc(OC3CCOCC3)c2)c([N+](=O)[O-])c1 500415471 QFMDSDOSOHLPHF-UHFFFAOYSA-N 433.464 4.391 5 20 IIBD O=c1ccccn1C[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 500475231 LQSUBMBNEAWOAT-NRFANRHFSA-N 432.505 4.411 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)NCc2ccccc2F)cc1 501382929 QBFXXCSHTMBRFU-UHFFFAOYSA-N 439.468 4.395 5 20 IIBD CCOc1ccc([C@@H](C)NC[C@H](O)COc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] 504925289 AOKQGPZMGAYPLR-OCCSQVGLSA-N 429.300 4.391 5 20 IIBD COCC[C@H](C)N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 507842415 BDRYBZAKCDSYHR-SCLBCKFNSA-N 436.306 4.052 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](c1ccc(F)cc1)c1nccn1C 509361334 ZNJFPWOFGLJQHX-HXUWFJFHSA-N 425.464 4.177 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1csc(NC(=O)c2cccs2)n1 509710207 GPQDNAMEQUMRCU-UHFFFAOYSA-N 444.538 4.345 5 20 IIBD Cc1ccc(S(=O)(=O)N(Cc2cccc(Br)c2)C(C)C)c([N+](=O)[O-])c1 509801008 BXSIJGHFWNNPAH-UHFFFAOYSA-N 427.320 4.265 5 20 IIBD O=C(N[C@@H](c1ccc(Cl)cc1)c1ccsc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 512229968 UFUYWJGRBHJKEJ-IBGZPJMESA-N 439.884 4.410 5 20 IIBD C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 512529797 WBBJGKJGOWSPLW-IAGOWNOFSA-N 447.495 4.151 5 20 IIBD Cc1cc(C)n(-c2ccc(CCN[C@@H](c3cccc([N+](=O)[O-])c3)c3nccn3C)cc2)n1 514784911 YGLSOXQPSQMQNL-QHCPKHFHSA-N 430.512 4.053 5 20 IIBD O=C(NCCOc1cccc(Cl)c1Cl)C1CCN(c2ccccc2[N+](=O)[O-])CC1 517671289 UVPVZYNWPQOJBS-UHFFFAOYSA-N 438.311 4.313 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])NCC1CCN(Cc2ccccc2Cl)CC1 520719663 VRMSPPOPLDOORE-UHFFFAOYSA-N 430.936 4.079 5 20 IIBD Cc1cc(I)ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl 522739318 SXJIXIHPMYFUSI-UHFFFAOYSA-N 430.629 4.342 5 20 IIBD O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 524058454 MKSNMNCBTHXMNN-GFCCVEGCSA-N 438.709 4.267 5 20 IIBD CS(=O)(=O)Nc1ccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1Cl 533212114 FHZUUCVVXFDTRR-UHFFFAOYSA-N 438.918 4.355 5 20 IIBD CCOc1ccc(NC(=O)CSc2nnc(C)n2[C@@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 533886784 YFVYEDHHUBWRBP-UKRRQHHQSA-N 433.534 4.375 5 20 IIBD CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)NCCc1cccc([N+](=O)[O-])c1 534719553 QWYIXYWAWWIALR-UHFFFAOYSA-N 443.891 4.061 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1 536155363 MSBZHFVAAQEQTE-UHFFFAOYSA-N 437.930 4.034 5 20 IIBD CC[C@@H](NCCCC(=O)N1CCc2cc(OC)c(OC)cc2C1)c1cccc([N+](=O)[O-])c1 536857622 MCANXKILYKXIPV-OAQYLSRUSA-N 441.528 4.018 5 20 IIBD CCO[C@@H](C)c1nc(CC(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cs1 537150321 OJOYSNBRAIQQMN-LBPRGKRZSA-N 432.527 4.478 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(NS(=O)(=O)c2ccccc2)c1 537216422 AZKPGUCQTUHIDB-UHFFFAOYSA-N 441.465 4.047 5 20 IIBD Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 537358919 RGCFXCJGTRYVJQ-GOSISDBHSA-N 438.528 4.371 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1 538227165 GTMNCHGKAJGRJG-KBPBESRZSA-N 431.464 4.209 5 20 IIBD CSc1ccc([C@@H](CC(=O)O)NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 540701656 CKNFUGIFAZLOMI-MRXNPFEDSA-N 443.506 4.386 5 20 IIBD COc1ccc2c(c1)C[C@H](C)N(C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]2C 541022729 DLUFLLJZIWKLQS-LSDHHAIUSA-N 430.526 4.380 5 20 IIBD O=C(CN[C@@H](Cc1ccc(Cl)cc1)c1ccccn1)N1CCc2cc([N+](=O)[O-])ccc21 541195142 XUDDBFJOFFSJKT-NRFANRHFSA-N 436.899 4.106 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CN2CCN(C)CC2)cc1 541872752 BFQDKCGHMPLBNN-UHFFFAOYSA-N 428.558 4.097 5 20 IIBD COc1ccc(C[C@H](C)CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 542226486 MRDJJJURBCKVNN-ZDUSSCGKSA-N 438.933 4.353 5 20 IIBD Cc1ccc(SC2CCCC2)c(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 542585758 DUCOZWXVIUZBKG-UHFFFAOYSA-N 448.566 4.142 5 20 IIBD Cc1cc(C(=O)NCC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)ccc1[N+](=O)[O-] 543932012 PGSXVWHMFVSGON-SFHVURJKSA-N 436.295 4.304 5 20 IIBD CN1CC[C@H]2CC[C@H](C1)N2C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 552419301 JPADJCHDHYFONZ-QZTJIDSGSA-N 428.920 4.169 5 20 IIBD COc1cc(C(=O)Nc2cc(F)c(Br)c(Cl)c2)cc([N+](=O)[O-])c1OC 552759902 BZGFRBWUVAKZBJ-UHFFFAOYSA-N 433.617 4.419 5 20 IIBD CO[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(C(=O)c2ccc(Sc4nc(C)cs4)c([N+](=O)[O-])c2)[C@H]31 553323441 LFQZYOFCRCVTIF-LGEZUQEUSA-N 431.539 4.006 5 20 IIBD O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 554798521 DVVYGQCNTNYZTO-KRWDZBQOSA-N 438.465 4.087 5 20 IIBD CCOc1ccc(C(=O)N2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)cc1[N+](=O)[O-] 564197774 VKZBITYLHPFLMX-SFHVURJKSA-N 440.374 4.106 5 20 IIBD COc1cc(Cc2noc([C@H]3CCCCN3C(=O)c3cccs3)n2)ccc1[N+](=O)[O-] 564611215 ZTKKZSWZFTUXJH-OAHLLOKOSA-N 428.470 4.006 5 20 IIBD Cc1nc2ccc(Br)cn2c1-c1nc(Cc2cccc([N+](=O)[O-])c2C)no1 568443018 MZUXPTOZLZROBU-UHFFFAOYSA-N 428.246 4.263 5 20 IIBD CCOc1cc(CN[C@@H]2[C@H]3Cc4ccccc4[C@H]32)ccc1OCCn1c([N+](=O)[O-])cnc1C 572887229 LQAAAEUGJBFFMR-BUUDZMLXSA-N 448.523 4.005 5 20 IIBD C[C@H](Sc1nc(O)cc(C(F)F)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 576150913 NTZOHJVJAPVPIW-LURJTMIESA-N 438.334 4.166 5 20 IIBD O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 578290377 AKNWHEBFCPKMND-WOJBJXKFSA-N 446.866 4.241 5 20 IIBD Cc1noc([C@H]2CCCN2Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n1 582514020 VBPZSGVLJQHLAF-OAQYLSRUSA-N 430.468 4.476 5 20 IIBD COc1cc(CN2CCC[C@H](C[C@@H]3CCOC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F 589199763 GSUFYBJUSKHWJU-CABCVRRESA-N 432.439 4.183 5 20 IIBD CC(C)NC(=O)c1ccc(NC2CCN(Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 589803197 IOGWNZSXPRQAFO-UHFFFAOYSA-N 430.936 4.463 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H](CN1CCCCC1)c1ccccc1 589881026 GIUJNGYJKMRNKF-DEOSSOPVSA-N 439.559 4.498 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N[C@@H]1CC[C@](O)(C(F)(F)F)C1 590118696 ZPTXAWGXUWOIQK-FZKQIMNGSA-N 425.363 4.355 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)cc1[N+](=O)[O-] 590526253 BKFUZKIXAQVMTK-LLVKDONJSA-N 444.966 4.046 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CC[C@@H](Oc3cncc(Br)c3)C2)cc1[N+](=O)[O-] 590556058 DPEWFQXSLVUEIT-OAHLLOKOSA-N 448.317 4.343 5 20 IIBD Cc1cc(NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)n(-c2ccc([N+](=O)[O-])cc2)n1 590771314 UZAICKFESJSHNL-UHFFFAOYSA-N 445.435 4.495 5 20 IIBD COc1ccc(CN(C)C(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1OC 598784735 XVOZQQAPDVJPMZ-CALCHBBNSA-N 441.528 4.367 5 20 IIBD Cc1cc(=O)c(C(=O)N2CCCCC[C@@H]2c2ccccc2)nn1-c1ccccc1[N+](=O)[O-] 603969115 DHOAZRWKCQUKRI-LJQANCHMSA-N 432.480 4.207 5 20 IIBD COc1cccc(OC)c1Oc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1 603971002 GTSPBAJZHWDEEA-UHFFFAOYSA-N 443.843 4.383 5 20 IIBD COc1ccc(CNC(=O)c2ccc(OCc3cn4cccc(C)c4n3)cc2)cc1[N+](=O)[O-] 604017960 KOLCNSKLNDQNOZ-UHFFFAOYSA-N 446.463 4.069 5 20 IIBD CC[C@H](C)NC(=O)c1ccc(NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)cc1 604430103 UUDIFNRAHAVAOH-AWEZNQCLSA-N 431.514 4.004 5 20 IIBD Cc1cc(C)c(NC(=O)CN(C)C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c(C)c1 604445112 MKBNDNORQBPMCI-HNNXBMFYSA-N 433.892 4.038 5 20 IIBD COc1cccc(CC(=O)N2CCc3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4C)cc32)c1 608944802 DOTSFDNKYWNLOU-UHFFFAOYSA-N 445.475 4.296 5 20 IIBD CCOC(=O)c1c(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)sc(C(C)=O)c1C 609500533 SAWAYALJONZMNP-UHFFFAOYSA-N 431.470 4.171 5 20 IIBD C[C@H](Nc1ccn(Cc2ccccc2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 609633651 JMWBMCPFCOQBHN-ZDUSSCGKSA-N 433.390 4.298 5 20 IIBD CCOc1cc(-c2ccccc2)sc1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 609837718 CBRWKOBTHZGGOH-MRXNPFEDSA-N 438.509 4.444 5 20 IIBD CN(Cc1ccccc1NC(=O)NCCc1ccc([N+](=O)[O-])cc1)C(=O)c1cccs1 610019556 HYZDNHHEROJFMY-UHFFFAOYSA-N 438.509 4.293 5 20 IIBD CN(C)C(=O)C[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc21 610178400 VEDQJRARLCHGJC-CQSZACIVSA-N 429.904 4.135 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 610595759 JCRXLNRABVZVPG-OKILXGFUSA-N 427.345 4.300 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 610605788 MDEUFRORFHWGAB-RKDXNWHRSA-N 435.118 4.170 5 20 IIBD COC[C@H](N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)C1CC1 610999346 HGMJJMYWBKCSGK-OALUTQOASA-N 448.317 4.052 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(N3CCc4sccc4C3)nc2)c1 612617657 VVKUIHHMCPKUIL-UHFFFAOYSA-N 444.538 4.032 5 20 IIBD C[C@@H](NC(=S)NNC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl 727088864 KUCMLEXXOSWSCI-SECBINFHSA-N 444.369 4.328 5 20 IIBD O=C(OCCCCCCN1C(=O)c2ccccc2C1=O)c1c(Cl)cccc1[N+](=O)[O-] 730644948 QFNXEBKSPAFMSI-UHFFFAOYSA-N 430.844 4.262 5 20 IIBD COc1cccc(C2(C(=O)OCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])CCCC2)c1 731264512 XNJUOBBQZUXZSR-UHFFFAOYSA-N 432.860 4.251 5 20 IIBD COC(=O)C1=C(C)N(c2ccc(C)cc2C)C(=O)N[C@@H]1c1cc([N+](=O)[O-])c(F)cc1F 731430058 GDNGAUJUHXFWCS-LJQANCHMSA-N 431.395 4.208 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cccc(COc2cccc(F)c2)c1 734050243 CBKNURJUOIFWNJ-UHFFFAOYSA-N 438.411 4.417 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccccc1CN(C)C(=O)OC(C)(C)C 737003897 QFWHSPKATIOIOC-UHFFFAOYSA-N 444.488 4.292 5 20 IIBD COc1cc(N2CCC(OC(=O)c3[nH]c(-c4ccccc4)nc3C)CC2)ccc1[N+](=O)[O-] 739372986 XODDENMNECLUSF-UHFFFAOYSA-N 436.468 4.128 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 742264194 UEPNHVFHFGYVTF-CQSZACIVSA-N 444.488 4.240 5 20 IIBD COC(=O)C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cccc(Cl)c1 743794637 JMEVLJRAAOIDOT-FQEVSTJZSA-N 448.906 4.229 5 20 IIBD C[C@@H](OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1ccc(N(C)Cc2ccccn2)c(F)c1 744202645 JAEIZYXCGILIHH-OAHLLOKOSA-N 441.463 4.001 5 20 IIBD CCC[C@H](NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccccc1 744562509 LVABGVKRZMHKEB-UTKZUKDTSA-N 439.512 4.398 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)cc1[N+](=O)[O-] 746557769 DISWWGRBCVQOJJ-UHFFFAOYSA-N 427.348 4.130 5 20 IIBD O=C(O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 747250109 BZNKSFGYNWIROZ-UONOGXRCSA-N 428.323 4.059 5 20 IIBD COc1ccc(C(=O)[C@H](C)OC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC 747953566 CBACBNJVJRBQMR-LBPRGKRZSA-N 442.449 4.164 5 20 IIBD O=C(COc1ccc(Cc2ccccc2)cc1[N+](=O)[O-])Nc1ccc(N2CCOCC2)cc1 748637238 YUYLOVAQKIRBML-UHFFFAOYSA-N 447.491 4.040 5 20 IIBD O=C(COC(=O)c1cc(-c2cccc(Cl)c2)no1)Nc1ccc(Cl)cc1[N+](=O)[O-] 748924813 ORFVNJNTACTUHG-UHFFFAOYSA-N 436.207 4.352 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(Cc1ccc(O)cc1)Cc1ccco1 751306778 WAQQPGQNYXXQEH-UHFFFAOYSA-N 436.873 4.246 5 20 IIBD NC(=O)N[C@@H](CC(=O)OCc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 752217239 MSMJCIBHEMPAEI-NRFANRHFSA-N 435.436 4.230 5 20 IIBD O=C(OCc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1)c1ccc(=O)n(-c2ccccc2)n1 752217316 OKZGSFKJHGFMSO-UHFFFAOYSA-N 443.415 4.290 5 20 IIBD CN1C(=O)c2cccc3c(S(=O)(=O)Oc4ccc([N+](=O)[O-])c5ccccc45)ccc1c23 753834365 YNIXBUASRPJQNS-UHFFFAOYSA-N 434.429 4.259 5 20 IIBD Cc1cc2c(cc1Br)N(C(=O)c1cc([N+](=O)[O-])cc3c1OCCO3)CCC2 754424454 KJTDGYZSKKQXGX-UHFFFAOYSA-N 433.258 4.030 5 20 IIBD C[C@@H](C(=O)OCc1csc(-c2ccc3c(c2)OCO3)n1)c1ccc([N+](=O)[O-])cc1F 755059489 BJIZMPOPZWPXIL-LLVKDONJSA-N 430.413 4.433 5 20 IIBD Cc1ccc(OC(=O)CCc2nc(O)c3c4c(sc3n2)C[C@H](C)CC4)cc1[N+](=O)[O-] 755357869 JMZJVSNYBBQDSM-LLVKDONJSA-N 427.482 4.277 5 20 IIBD Cc1c(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cnc(Cl)c1Br 759275431 DMVRLLWENJHZDH-UHFFFAOYSA-N 436.653 4.152 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(-c3ccc(OC4CCOCC4)cc3)no2)ccc1-n1ccnc1 762080464 WFVRLTADDADGJX-UHFFFAOYSA-N 433.424 4.055 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCOC3(CCCCCC3)C2)c1=S 765081671 YKFHRUXRRQOMBV-UHFFFAOYSA-N 431.562 4.392 5 20 IIBD O=C(Nc1cccc(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1)c1ccncc1 765253667 INHQHRMPMTVANN-UHFFFAOYSA-N 431.496 4.001 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCc1csc(-c2ccc(C(N)=O)cc2)n1 765525258 CEQNCZOIYCPKNB-HNNXBMFYSA-N 439.493 4.129 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC(=O)c1cnc(N2CCCCC2)s1 765529004 VKNZPEUTLGCSOB-INIZCTEOSA-N 431.514 4.036 5 20 IIBD COc1cc(COC(=O)[C@@H](C)Oc2ccccc2Br)c([N+](=O)[O-])cc1F 766202493 NZXAJENHTMSWCO-SNVBAGLBSA-N 428.210 4.016 5 20 IIBD O=C1c2ccccc2N[C@H](c2ccc(Br)cc2[N+](=O)[O-])N1CC(F)(F)F 767715098 SYVHQKQLIHDEHA-AWEZNQCLSA-N 430.180 4.486 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(OCc2ccc(F)cc2)CC1 768806975 INHKYWYATYEWBB-CQSZACIVSA-N 435.883 4.396 5 20 IIBD O=C(N[C@@H]1CCc2cc(O)ccc2C1)c1cc(Br)cc([N+](=O)[O-])c1Cl 768844065 CJKHTGAUZRSTQV-GFCCVEGCSA-N 425.666 4.004 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1[C@H]2CCC[C@H]1CC(NC(=O)OC(C)(C)C)C2 769635309 AICXOKQCVVDOLO-ROUUACIJSA-N 446.548 4.142 5 20 IIBD O=C(OCCOc1ccccc1C(F)(F)F)c1cc(Br)ncc1[N+](=O)[O-] 769832593 KDMADOIABQISEB-UHFFFAOYSA-N 435.152 4.007 5 20 IIBD O=C(CCCNC(=O)OCc1ccccc1)Nc1ccc(Br)c([N+](=O)[O-])c1 770323463 HJBHINZIGOOATE-UHFFFAOYSA-N 436.262 4.002 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Oc1ccc(NC(=O)c2cccs2)cc1 770398971 HTHZAWUSUWQSJO-UHFFFAOYSA-N 449.444 4.441 5 20 IIBD Cc1csc(Sc2ccc(C(=O)O[C@@H]3CCO[C@]4(CCOC4)C3)cc2[N+](=O)[O-])n1 774944315 BZZMWFHCKOYDTE-AUUYWEPGSA-N 436.511 4.006 5 20 IIBD O=c1c2ccccc2nc(SC[C@H](O)c2ccc([N+](=O)[O-])cc2)n1Cc1ccccc1 776270198 AHGHUXDVHVFJNB-NRFANRHFSA-N 433.489 4.179 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2NC2CCCCC2)cc1[N+](=O)[O-] 777644947 RPADIKKYPBDSGZ-UHFFFAOYSA-N 448.501 4.319 5 20 IIBD CC(C)[C@@H]1CCCN1c1ccc(NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)cc1F 777837885 WQKSQJANBPERDD-IBGZPJMESA-N 449.504 4.015 5 20 IIBD O=C(c1cc([N+](=O)[O-])c2nsnc2c1)N(Cc1ccccc1)C[C@H](O)c1cccs1 778319389 UFZDRGHQGFXEFV-KRWDZBQOSA-N 440.506 4.037 5 20 IIBD COC1CCC(C(=O)O[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC1 781246244 SWNFQLGHQQZVPO-NGICGMGXSA-N 426.469 4.331 5 20 IIBD O=C(OCc1c(F)cccc1[N+](=O)[O-])c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781257788 UUUQDMMGZJOLRM-UHFFFAOYSA-N 428.322 4.364 5 20 IIBD CC[C@H](OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)Nc1ccc(OC)cc1 781260272 QYXBVVJLDSVWRL-QFIPXVFZSA-N 430.460 4.264 5 20 IIBD O=C(O[C@@H]1CCOC[C@@H]1OCc1ccccc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 781565069 ONLBOEZROWDMBX-RPWUZVMVSA-N 429.472 4.212 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(OC(F)F)c2ncccc12 781626009 DJRPWKAKEAGFLY-UHFFFAOYSA-N 432.339 4.224 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 783019877 JDVAKYGVSHYGDE-QZTJIDSGSA-N 434.537 4.351 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 783118627 ZALREHXWWISZAM-LBPRGKRZSA-N 427.215 4.137 5 20 IIBD CCC1CCC(N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2Br)CC1 783246949 UZKABPLNTKJJCT-UHFFFAOYSA-N 426.311 4.031 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 783303078 JDRJMHJBFZNIDI-UHFFFAOYSA-N 441.793 4.397 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cc(F)cc(F)c1Br 785617676 JHNBJBVZBKUHKN-UHFFFAOYSA-N 430.161 4.115 5 20 IIBD CCN(C(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)ccc1Cl)C(C)C 785997103 LSXUYDUTHAFJGC-UHFFFAOYSA-N 432.908 4.437 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)C[C@H](C)c2c[nH]c3ccccc23)c([N+](=O)[O-])c1 787219431 XHAUKSYFNZYNTA-AWEZNQCLSA-N 425.441 4.150 5 20 IIBD O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)c1cc(F)c([N+](=O)[O-])cc1F 789713071 CBSGROHXISWEQV-CQSZACIVSA-N 444.221 4.105 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3cccc(Cl)c3n2)c(C)c1[N+](=O)[O-] 790637391 YADODQSVYGGGFL-UHFFFAOYSA-N 436.833 4.122 5 20 IIBD CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c1C 792896215 FEXDPMCBWXGBMU-GFCCVEGCSA-N 448.317 4.134 5 20 IIBD CCOc1cc(N2CCN(C(=O)/C=C\c3cnc(C(C)(C)C)s3)CC2)ccc1[N+](=O)[O-] 794045338 RUSHUTMEUWYWIE-CLFYSBASSA-N 444.557 4.110 5 20 IIBD CC(C)(NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)N1CCCC1 794408590 MNTFRCYNMCDHBD-UHFFFAOYSA-N 431.876 4.171 5 20 IIBD C[C@@H]1C(=O)CC[C@@H]1CC(=O)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 796229115 BQHMASTZOXZRME-KUUHDYPXSA-N 444.871 4.477 5 20 IIBD CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(F)(c2ccccc2C(F)(F)F)CC1 798405100 YBYCOFIHIZHGPI-UHFFFAOYSA-N 425.382 4.438 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1nc2ccc(OCC(F)(F)F)cc2s1 801889595 YCJNSTPVHBXTDZ-UHFFFAOYSA-N 430.339 4.119 5 20 IIBD COc1cc(OCC(=O)Nc2ccc(Cl)c(SC(=O)N(C)C)c2)ccc1[N+](=O)[O-] 805436480 MHEIFWKDTPHLLY-UHFFFAOYSA-N 439.877 4.048 5 20 IIBD C[C@H](OC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])C(=O)NCc1ccccn1 805957258 GPLOFPOVWDZLIA-HNNXBMFYSA-N 437.477 4.003 5 20 IIBD C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1Cl)c1cc(F)ccc1N1CCN(C)CC1 809919629 MGNGMJVZCMLONK-ZDUSSCGKSA-N 435.887 4.022 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 810141593 CXFUHCYYAWHFCL-KRWDZBQOSA-N 432.521 4.404 5 20 IIBD O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 813620180 JIAWCITXZBOHNX-KRWDZBQOSA-N 431.370 4.139 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] 813670871 YJKSTPBEVAQDFP-CGTJXYLNSA-N 432.521 4.005 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCN(c3ncnc4sc([N+](=O)[O-])cc34)C2)C1 814373977 AQSSUCGWBZCNKE-LSDHHAIUSA-N 447.561 4.463 5 20 IIBD C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[C@@H](c2cccc(C(F)(F)F)c2)O1 816996276 LGKBTRNFTPCISO-YJYMSZOUSA-N 437.418 4.282 5 20 IIBD COc1cc(-c2nc(-c3cccc(OCc4cccnc4)c3)no2)c([N+](=O)[O-])cc1OC 904503353 OKYKZUIORJSAKK-UHFFFAOYSA-N 434.408 4.303 5 20 IIBD CC(C)c1c(C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cnn1-c1ccccc1 914901467 TYDNPFWICNSGPV-UHFFFAOYSA-N 433.424 4.311 5 20 IIBD O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 915335303 XOLAQNGPQBEWFN-UHFFFAOYSA-N 438.484 4.381 5 20 IIBD Cc1cc(Br)oc1C(=O)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C 916036025 ACFUNQIADVSSFC-UHFFFAOYSA-N 449.261 4.360 5 20 IIBD CC(C)c1nccn1Cc1cccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 916686412 IUCNWBGUVTUMEL-UHFFFAOYSA-N 448.527 4.317 5 20 IIBD O=C(NS(=O)(=O)c1c(Cl)cccc1Cl)c1cc2cc([N+](=O)[O-])ccc2s1 916805149 MJRFBHAFVWOVSI-UHFFFAOYSA-N 431.278 4.235 5 20 IIBD C[C@@H](OC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1Cl 917961796 OZTSHKMUVIWYHW-SECBINFHSA-N 429.281 4.397 5 20 IIBD O=C(CN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 918741430 VZMXQXXLXCTOCQ-IUCAKERBSA-N 433.736 4.249 5 20 IIBD CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)OCc1cc(F)ccc1[N+](=O)[O-] 918994518 UEMKGDVPZACTDD-PBVNKPPYSA-N 432.492 4.134 5 20 IIBD CN(c1ccccc1)c1ccc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cn1 919210831 KDPPOOHBPCYIMD-UHFFFAOYSA-N 440.843 4.207 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1C[C@H]2CCCC[C@@]21c1ccccc1 1116262211 RIRUYAWFMVZMKT-HOYKHHGWSA-N 435.480 4.211 5 20 IIBD COc1cc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc(Cl)c1OC 1121313074 PSENWNJKDXTODD-SNVBAGLBSA-N 429.256 4.003 5 20 IIBD COc1c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)cnn1-c1ccccc1 1320453782 PVNDGVVGCNTSTG-UHFFFAOYSA-N 435.465 4.473 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCOC1 1324677850 UCHZBZXVGVVIBO-INIZCTEOSA-N 441.919 4.222 5 20 IIBD CC[C@H]1Oc2cc([C@@H](C)NCc3ccc([N+](=O)[O-])cc3Br)ccc2NC1=O 1325789407 FRTLRHDWKQBDGY-PIGZYNQJSA-N 434.290 4.318 5 20 IIBD CC(C)n1c([C@@H](C)NC(=O)c2cc(Br)cc([N+](=O)[O-])c2N)nc2ccccc21 1340051843 UUFUBZBFSSQRAI-LLVKDONJSA-N 446.305 4.361 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccoc4)cc3)CCC2)ncc1[N+](=O)[O-] 1786749591 WZJOTYYCGDVIKX-FPYGCLRLSA-N 446.463 4.352 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)NC2(c3ccc(NC(=O)c4ccccc4)cc3)CCC2)n1 1790211459 WQPAICUJYKGKDL-UHFFFAOYSA-N 446.463 4.060 5 20 IIBD CC(C)c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(F)c2[N+](=O)[O-])C3)cc1 1799712034 PALZXUYAQYSGSO-REPLKXPHSA-N 439.487 4.423 5 20 IIBD C[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(F)c1[N+](=O)[O-])C2)c1ccccc1 1801752665 RRPCGCOTKUNXCF-KANFNMMFSA-N 439.487 4.180 5 20 IIBD CC/C=C(\C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCc1cc(C)c(F)cc1[N+](=O)[O-])C2 1803444505 HFAOPEHJYRENCH-GDOPKQDQSA-N 445.535 4.360 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])[nH]n1)[C@@H]1CC=CCC1 1814796879 XVMCMFWHJKKCBC-FXIHAIIISA-N 449.511 4.380 5 20 IIBD CC(C)=CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)n[nH]1 1821261398 UNCSXAQJPZCKQV-LJQANCHMSA-N 441.488 4.076 5 20 IIBD CC/C=C(\C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2cc([N+](=O)[O-])ccc2F)[nH]n1 1823090121 CCKCLCVCHKGVHK-HOWNQORCSA-N 443.479 4.048 5 20 IIBD CCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1823681495 LPJOJHVGRIHHTR-NRFANRHFSA-N 429.561 4.193 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccccc2)CC1 1826526464 JTTFXXTVANLBKQ-WAEYIKQSSA-N 437.496 4.135 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@H]2CCCCN2C(=O)/C=C/C2CCCC2)CC1 1830346791 PHXCSRWWHXEEQZ-LHUXKHBRSA-N 429.517 4.168 5 20 IIBD CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 1831061728 XXKUXWYMLRHWHB-GOSISDBHSA-N 429.542 4.453 5 20 IIBD C[C@H](OC(=O)CCc1ncc(-c2ccccc2Cl)o1)C(=O)Nc1cccc([N+](=O)[O-])c1 12252605 IODRPADGMZOVFT-ZDUSSCGKSA-N 443.843 4.406 5 20 IIBD C[C@@H](Sc1cc(C(=O)NC2CC2)c2ccccc2n1)C(=O)Nc1ccccc1[N+](=O)[O-] 17276865 OIINCWQZNARTKP-CYBMUJFWSA-N 436.493 4.155 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O 19159664 CDEXZFDDQJZFSS-UHFFFAOYSA-N 445.431 4.273 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)NCc2cccs2)cc([N+](=O)[O-])c1C 20957616 GAJNBVWHJNFURI-UHFFFAOYSA-N 445.522 4.004 5 20 IIBD Cc1cc(Cl)ccc1NC(=O)[C@H](C)OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 24184490 CVXAQKWTRVDVEB-HNNXBMFYSA-N 445.903 4.343 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)Cc2csc(-c3cccc(F)c3)n2)cccc1[N+](=O)[O-] 26592266 GDNSGOCBHFVBJX-ZDUSSCGKSA-N 443.456 4.279 5 20 IIBD CCCn1c(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nc2ccccc2c1=O 28676102 DFKQQBKZYUMXOV-GFCCVEGCSA-N 446.916 4.487 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)Nc2ccc3c(c2)CCO3)cc1[N+](=O)[O-] 30370987 NYSVFTAOCXJWDS-UHFFFAOYSA-N 431.448 4.079 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCC(=O)Nc3cccc(F)c3)cc2[N+](=O)[O-])n1 64956943 HXJJNMSQSDAXTG-UHFFFAOYSA-N 446.485 4.019 5 20 IIBD C[C@@H](NC(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cccc([N+](=O)[O-])c1 65038062 IXHHFHCJPZFUJD-CYBMUJFWSA-N 433.390 4.360 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 108208725 PRWYDNINVMCIGD-UHFFFAOYSA-N 448.458 4.015 5 20 IIBD Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)N2CCCC2)o1 116593805 IMYBAOKINBZRTF-JOCHJYFZSA-N 440.544 4.299 5 20 IIBD O=C(CCNCc1cc([N+](=O)[O-])ccc1OC(F)F)Nc1ccc(Br)cc1 237818723 RKSZXXBGHAXPQO-UHFFFAOYSA-N 444.232 4.077 5 20 IIBD O=C(Nc1ccccc1)[C@H]1CCCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 302175804 OHVICNZEQWYMQQ-IBGZPJMESA-N 432.480 4.424 5 20 IIBD Cc1nc(C)n(Cc2cccc(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)c2)n1 427164261 LYHOEGGRAKTJSI-UHFFFAOYSA-N 434.481 4.227 5 20 IIBD C[C@H](CC(=O)O)NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 427713864 JHMNOYHFHGOSGE-LKKYZFDUSA-N 425.466 4.115 5 20 IIBD Cc1ccc([C@H](NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C2CC2)cc1 430314191 XMZKSTRMCGAZGA-SFHVURJKSA-N 446.301 4.180 5 20 IIBD COC[C@@H](C)n1c(C)cc(C(=O)COc2c(Br)cccc2[N+](=O)[O-])c1C 431236977 OTZOLJRVNBMODB-GFCCVEGCSA-N 425.279 4.245 5 20 IIBD COC(=O)c1ccc(Sc2ccc(Cl)cn2)c(NC(=O)c2ccc([N+](=O)[O-])o2)c1 432712213 AZCOEEWVGVVXGK-UHFFFAOYSA-N 433.829 4.426 5 20 IIBD O=C(Nc1ccccc1NC(=O)N1CCCC1)c1cc(Br)cc([N+](=O)[O-])c1 433018180 FSMZLZRHYWFIJS-UHFFFAOYSA-N 433.262 4.237 5 20 IIBD O=C(Nc1ccccc1Oc1ccccc1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 435652010 ABSGHHRFGGOEHW-UHFFFAOYSA-N 431.404 4.293 5 20 IIBD O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436092054 WIAZOOXKIOKSFZ-IBGZPJMESA-N 447.485 4.354 5 20 IIBD O=c1c2cnn(-c3ccccc3[N+](=O)[O-])c2ncn1Cc1ccc(-c2ccsc2)cc1 436201411 AWQZFJFZRWWCOC-UHFFFAOYSA-N 429.461 4.267 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccc(Sc2ccccc2)cc1 438397636 DACXUWSVYNLJJC-UHFFFAOYSA-N 437.477 4.010 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccc(-c2csnn2)cc1 438797082 OJNYWNLAKNUGKE-UHFFFAOYSA-N 431.282 4.221 5 20 IIBD Cc1c(CC(=O)Nc2ccnn2Cc2ccc(Br)cc2)cccc1[N+](=O)[O-] 439079675 PGADRFZUYPFNGI-UHFFFAOYSA-N 429.274 4.092 5 20 IIBD CC[C@@H](C[C@@H](C)CO)Nc1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1[N+](=O)[O-] 439709466 OKWLTLAMWMYSLR-SJORKVTESA-N 435.546 4.019 5 20 IIBD COC(=O)c1cc(Br)cc(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1Cl 440162527 WWYGJLFDBNZVEN-UHFFFAOYSA-N 443.637 4.058 5 20 IIBD O=C1CCC(=O)N1Cc1ccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 440609663 DSTBBPPEOSHAEE-UHFFFAOYSA-N 443.459 4.091 5 20 IIBD CC(C)CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 443879907 GYNQTWPXDZSGEH-MLGOLLRUSA-N 447.479 4.070 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](CO)Cc1cc(F)c(F)c(F)c1 444422053 DUSKJALKTAXFBM-ZDUSSCGKSA-N 442.459 4.095 5 20 IIBD Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)o1 444645200 PCMKLNURVPPVMX-UHFFFAOYSA-N 442.435 4.155 5 20 IIBD COc1ccc(NC(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)cc1[N+](=O)[O-] 444929534 KDNPPKQETNHZDN-WBVHZDCISA-N 426.256 4.032 5 20 IIBD CCCn1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)nc2ccccc21 446942591 DUTHEBNXZLVLTL-UHFFFAOYSA-N 428.392 4.174 5 20 IIBD CCn1c([C@@H]2CCCN2c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])nc2ccccc21 447065626 BOCJVSUKNZHOPF-FQEVSTJZSA-N 444.495 4.270 5 20 IIBD CCC[C@@H](C)N(C(=O)c1cc(OC)ccc1[N+](=O)[O-])c1nc(C)c(C(=O)OCC)s1 460124828 MNDUMVNVRSNWBK-GFCCVEGCSA-N 435.502 4.380 5 20 IIBD Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 461390832 XIZGTAYPQSZHTR-UHFFFAOYSA-N 431.807 4.386 5 20 IIBD Cc1ccc(-c2nnc(N(Cc3ccccc3[N+](=O)[O-])C3CC3)n2C[C@@H]2CCCCO2)o1 461657561 PKIHHFMYRCOJTD-IBGZPJMESA-N 437.500 4.493 5 20 IIBD CCc1cnc(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)s1 464127036 IOULFEASSWOIJE-UHFFFAOYSA-N 447.520 4.325 5 20 IIBD CC(C)CN(C(=O)c1ncn(C(C)(C)C)n1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 464283725 GWBXCLRTFYOSCD-UHFFFAOYSA-N 428.518 4.368 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3ccccc3n2C2CCCC2)c2ncccc12 464431222 UXMLAXSHWNSMFM-UHFFFAOYSA-N 437.481 4.409 5 20 IIBD C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464776749 OERWPYPFBRPEJD-KRWDZBQOSA-N 437.496 4.404 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1cc(Cl)ccc1N1CCCCC1 465032791 HUGRSYVKJGBOFZ-UHFFFAOYSA-N 431.876 4.191 5 20 IIBD Cc1nc2n(n1)C[C@@H](NC(=O)c1cccc(Sc3ccc(Cl)cc3)c1[N+](=O)[O-])CC2 466769926 SYOJQKHDXZGCSP-AWEZNQCLSA-N 443.916 4.044 5 20 IIBD Cc1ccc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c(OC[C@H]2CCCO2)c1 467211373 IIMDEHGNFHNDLS-GOSISDBHSA-N 433.892 4.114 5 20 IIBD C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCC(=O)N(C)Cc1ccccc1Br 468647926 HUSWIZZDPNJROP-VBKFSLOCSA-N 446.345 4.399 5 20 IIBD COc1cc(S(=O)(=O)Nc2cccc(Cl)c2Oc2cccnc2)ccc1[N+](=O)[O-] 469073624 WICSHKTZYHYMEZ-UHFFFAOYSA-N 435.845 4.245 5 20 IIBD CN(C(=O)c1cccc(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)c1)c1ccccc1 469103073 UMCUPRWYQFQXGY-UHFFFAOYSA-N 426.432 4.672 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(OC)c(OC)cc1Br 470831259 KWEHSXZIZFHTEU-UHFFFAOYSA-N 425.235 4.026 5 20 IIBD COC(=O)COc1ccc(CN[C@H](C)c2oc3ccc(OC)cc3c2C)cc1[N+](=O)[O-] 474355286 OAJQLZXANWPQNF-CQSZACIVSA-N 428.441 4.061 5 20 IIBD O=C1NCc2ccc(N[C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c3ccccc3)cc21 477018242 HFNNTBNRDVJKGV-HXUWFJFHSA-N 436.855 4.284 5 20 IIBD CC(=O)N[C@H](C)C1CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 478684900 CWURETXOQXXMCZ-OAHLLOKOSA-N 427.526 4.123 5 20 IIBD C[C@@H](CC(N)=O)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2 482288542 UKKGVZCWEUAYPO-YIQZXQSLSA-N 444.491 4.014 5 20 IIBD COC(=O)c1csc(-c2cccc(CNC(=O)Nc3ccc([N+](=O)[O-])c(C)c3)c2)n1 484347976 ILJRDENRCNKNEZ-UHFFFAOYSA-N 426.454 4.135 5 20 IIBD O=C(Nc1ccccc1O)C1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 485400337 CXUXRRXJWUGZNG-UHFFFAOYSA-N 436.443 4.357 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NCc1nc(-c2ccc(Br)s2)no1 486171414 GDFRUMZCDJSXBZ-UHFFFAOYSA-N 425.264 4.480 5 20 IIBD CSc1cccc(C(=O)N2CCN(Cc3csc(C(C)(C)C)n3)CC2)c1[N+](=O)[O-] 486477105 GWHNYNJLEVZEDT-UHFFFAOYSA-N 434.587 4.029 5 20 IIBD Cc1ccc([C@H](C)NC(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)cc1[N+](=O)[O-] 488001300 TVORDPJFNRJIAJ-INIZCTEOSA-N 445.475 4.310 5 20 IIBD Cc1ccc([C@H](C)NC(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)cc1[N+](=O)[O-] 488046610 FYGRXCFXCDLDBQ-INIZCTEOSA-N 443.459 4.190 5 20 IIBD CCN(CCOC)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 488729619 WACAEVVGUFMHOG-SFHVURJKSA-N 436.306 4.005 5 20 IIBD COCCN(Cc1cc(Br)cs1)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 494028366 QOHBQUPFNIWMNG-UHFFFAOYSA-N 428.308 4.408 5 20 IIBD CCC(=O)Nc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Nc2ccccc2)cc1 494584641 HWBUQQPEPLGQPC-UHFFFAOYSA-N 440.481 4.488 5 20 IIBD Cc1ccc([C@H](CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)N2CCCC2)o1 494873251 JKLLXOKCLGAYLK-KRWDZBQOSA-N 440.422 4.151 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)cc1C 497552111 WRAJEVSEQRFOSV-UHFFFAOYSA-N 429.454 4.166 5 20 IIBD CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1C 503255501 IGEIBTUECQWHFY-UHFFFAOYSA-N 439.299 4.380 5 20 IIBD CCOc1cc(NC(=O)N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)c([N+](=O)[O-])cc1OCC 504705824 DNEMATMUAZETBZ-ZDUSSCGKSA-N 442.472 4.160 5 20 IIBD CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 505416300 RZHAONUHKFQKFC-IBGZPJMESA-N 446.345 4.195 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1Oc1ccc(Cl)cc1 506351226 YQVSONWPZQHBRJ-UHFFFAOYSA-N 425.828 4.295 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 506745394 WTGIPVKIKXCPGT-UHFFFAOYSA-N 438.933 4.239 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@@H](CC(F)(F)F)C(C)C 510373333 DYZZQGIKOFTMPB-LBPRGKRZSA-N 444.191 4.215 5 20 IIBD O=C(NCc1ccc(-c2ccccc2)o1)c1ccc([N+](=O)[O-])cc1I 511782824 CTYHCROTHDVPKS-UHFFFAOYSA-N 448.216 4.389 5 20 IIBD Cc1cccn2cc(COc3ccccc3C(=O)N(C)CCc3cccc([N+](=O)[O-])c3)nc12 512995968 APKDOMNZJNQBAG-UHFFFAOYSA-N 444.491 4.445 5 20 IIBD COc1ccc(CNC(=O)N2CCC[C@H](COc3ccccc3Cl)C2)cc1[N+](=O)[O-] 513989282 JEMHQKCHQCVAJC-INIZCTEOSA-N 433.892 4.257 5 20 IIBD CCn1c(SCCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)nnc1-c1cccc(C)c1 514348997 UQCCVTOIOGIFFI-UHFFFAOYSA-N 441.513 4.311 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2)C[C@H](C)O1 515727154 FLNAIDZSYHIOOR-KBPBESRZSA-N 439.493 4.311 5 20 IIBD C[C@H](CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)Cn1cccn1 516397653 UBJNPZUUBHJAMR-OAHLLOKOSA-N 427.892 4.123 5 20 IIBD COc1ccccc1CN(Cc1cccs1)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 517559505 CNESZXRXUCZEKF-UHFFFAOYSA-N 449.492 4.088 5 20 IIBD CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)cc1 518607281 LUPGDYUEDPSDMN-FQEVSTJZSA-N 430.526 4.273 5 20 IIBD O=C(NCCc1cc(Br)ccc1F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 519951548 JLIJEKQWOLHLQS-UHFFFAOYSA-N 436.281 4.069 5 20 IIBD C[C@H](c1ccccn1)N(C)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 520088023 ROBKEVAACYPULQ-CQSZACIVSA-N 436.434 4.445 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 522667059 PAHCVBRCQMHYAJ-AWEZNQCLSA-N 443.843 4.312 5 20 IIBD CCOc1ccc(Br)cc1NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 524387563 LCNYJFZENSUKFF-UHFFFAOYSA-N 425.235 4.026 5 20 IIBD CC(C)n1c(C(F)(F)F)nc2cc(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)ccc21 524538151 OQPWJGHHVFGALW-UHFFFAOYSA-N 436.390 4.353 5 20 IIBD Cn1ccnc1C(=O)c1ccc(Nc2cnn(Cc3ccc(Cl)cc3)c2)c([N+](=O)[O-])c1 525194214 OAYHVHYRSHBJHX-UHFFFAOYSA-N 436.859 4.201 5 20 IIBD COc1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)cc([N+](=O)[O-])c1OC 525536688 ILXRXEPPKDYVJM-UHFFFAOYSA-N 425.397 4.018 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cc(O)ccc1C(F)(F)F 526970468 SNXCQPQSPSBUJU-UHFFFAOYSA-N 437.296 4.180 5 20 IIBD CC(C)CCSc1ccc(C(=O)NCc2cnn(CC(F)(F)F)c2)cc1[N+](=O)[O-] 531926716 NSWGNAHEPDJCAA-UHFFFAOYSA-N 430.452 4.422 5 20 IIBD O=C(NCc1cnn(CC(F)(F)F)c1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 532620798 QENBWPCYXXBOTO-UHFFFAOYSA-N 436.415 4.435 5 20 IIBD Cc1ccc(-c2[nH]nc(NS(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])c2C)o1 532768422 VUKZZJZDBUMGRP-UHFFFAOYSA-N 431.257 4.302 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(C(=O)c2cc(F)ccc2F)CC1 533242585 RPBQCSODWKUZKD-UHFFFAOYSA-N 431.439 4.105 5 20 IIBD Cc1ccc(C(=O)Nc2cccc(CNC(=O)NCCc3cccc([N+](=O)[O-])c3)c2)cc1 534610378 SJZGQQHVCRQISO-UHFFFAOYSA-N 432.480 4.197 5 20 IIBD COc1cc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)cc(OC)c1OCc1ccccc1 534745726 SGTSCVSGNDKHET-UHFFFAOYSA-N 448.435 4.320 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC2(CC1)CCN(Cc1ccccc1)C2 535682112 XKILJOYWEZHZJI-UHFFFAOYSA-N 436.556 4.220 5 20 IIBD CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c1 536127370 NLNLDGYFNJXDEA-UHFFFAOYSA-N 442.449 4.139 5 20 IIBD CN([C@H](c1ccncc1)c1ccc(Cl)cc1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] 536587581 JQDVIYNVTUXHLT-NRFANRHFSA-N 445.928 4.237 5 20 IIBD Cc1cc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)ccc1[N+](=O)[O-] 538545593 UVUXRHGBDVRDRR-UHFFFAOYSA-N 446.492 4.277 5 20 IIBD O=C(O)C[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(Cl)cc1 539570913 FWHNCQHNPBQLOD-HNNXBMFYSA-N 431.857 4.318 5 20 IIBD C[C@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 540344952 HOKBABWTHGYXRB-HNNXBMFYSA-N 430.464 4.496 5 20 IIBD CCCc1c(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cnn1-c1ccccc1 541187604 DLPZMLYGOCLEIC-UHFFFAOYSA-N 434.500 4.087 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N=c2cc[nH]cc2Br)cc1 542929378 DWDAGSLFFFVKLY-UHFFFAOYSA-N 444.241 4.227 5 20 IIBD COc1ccc(NC(=O)CN[C@H](Cc2ccccc2)c2sccc2C)c([N+](=O)[O-])c1 543453425 MYXNYPDBZPDFDS-LJQANCHMSA-N 425.510 4.485 5 20 IIBD Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NCCn1cc([N+](=O)[O-])cn1 543498891 VFOSARICBDZAFP-LLVKDONJSA-N 436.335 4.337 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CCCN(CC(F)F)CC1 543581858 ODXBQKLOASJLKJ-UHFFFAOYSA-N 427.517 4.290 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1ccc(O)cc1F 543863839 FFUJYILMRZTWEI-UHFFFAOYSA-N 432.411 4.473 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)c2ccsc2)cc1[N+](=O)[O-] 543924297 MFGWKHOWOLOGPQ-GOSISDBHSA-N 445.884 4.163 5 20 IIBD CN(C)c1nc2cc(-c3noc(Cn4c5ccccc5c(=O)c5ccccc54)n3)ccc2o1 545118803 YQJGNJMLTYUPOF-UHFFFAOYSA-N 437.459 4.460 5 20 IIBD COc1ccc(CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@H](CO)C(C)C)cc1 545501089 BEDHQMDKVTUBPA-LJQANCHMSA-N 428.510 4.477 5 20 IIBD COCCOc1ccccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1Nc1ccccc1 545832063 LPJGRSMLUMZOHU-UHFFFAOYSA-N 443.481 4.164 5 20 IIBD COc1ccc(CN(Cc2ccccc2)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1 546091665 DZCRRACQSCPVDG-UHFFFAOYSA-N 426.494 4.136 5 20 IIBD Cc1ccc(C)c(-n2c(C)nnc2SCc2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)c1 546260632 VRMPTCJFAYVZJL-UHFFFAOYSA-N 437.485 4.025 5 20 IIBD Cc1ccc(OC(F)F)c(CNC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 551438580 DWVDOCXRWKRJFE-UHFFFAOYSA-N 435.427 4.057 5 20 IIBD CC(C)(C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1[N+](=O)[O-] 556184388 YVDJPWCWOWCNDK-QGZVFWFLSA-N 435.446 4.282 5 20 IIBD CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 560238143 LAJDHPNJAIJCSI-UHFFFAOYSA-N 438.328 4.223 5 20 IIBD C[C@@H](C(=O)Nc1n[nH]c(-c2ccc(Br)cc2F)n1)c1cccc([N+](=O)[O-])c1 562408079 RGAWYPBFEVZXNQ-SECBINFHSA-N 434.225 4.024 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1nc(Cc2cn3cc(Cl)cc(Cl)c3n2)no1 572055449 VVZUPOXVSKXKPS-UHFFFAOYSA-N 433.255 4.178 5 20 IIBD CC(C)c1ccc(C[C@@H](C)NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1 572742852 SPLJBMVUMGCMPR-CYBMUJFWSA-N 448.317 4.167 5 20 IIBD C/C(=C/c1ccccc1OC(F)F)CN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 573946144 LJSLIZLHUMWNHL-PEZBUJJGSA-N 431.439 4.058 5 20 IIBD CN(C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)c1ccc(Cl)c(C(F)(F)F)c1 574362916 NQTXZUZCJIQYJV-CYBMUJFWSA-N 445.781 4.128 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(c3nnc(C4CCC4)n3C[C@H]3CCCCO3)CC2)cc1 576090947 ZPEPDBGXKAIIAQ-OAQYLSRUSA-N 441.532 4.071 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c1 579449027 JQBOMLTWVZHCKP-HNNXBMFYSA-N 434.452 4.132 5 20 IIBD CN(C(=O)c1ccc(NC(=O)CSc2cccs2)cc1)c1ccc([N+](=O)[O-])nc1 580544790 CSFKFCUZKUSMIX-UHFFFAOYSA-N 428.495 4.059 5 20 IIBD CCN(CC(=O)Nc1c(Cl)cccc1Cl)c1ncnc2sc([N+](=O)[O-])cc12 587994022 KIBICEOYQHHTFZ-UHFFFAOYSA-N 426.285 4.371 5 20 IIBD O=C(NCc1noc(-c2cc3cc([N+](=O)[O-])ccc3o2)n1)c1ccc(Br)cc1 589154857 WAWYTSMKWZXEOD-UHFFFAOYSA-N 443.213 4.084 5 20 IIBD CC(C)CCSc1ccc(C(=O)NCCc2nnc3n2CCCCC3)cc1[N+](=O)[O-] 602331483 FQTJFTUMCHNGKX-UHFFFAOYSA-N 431.562 4.023 5 20 IIBD Cc1cc(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)ccc1[N+](=O)[O-] 603476601 OOMNSSZABOTTSJ-UHFFFAOYSA-N 433.464 4.231 5 20 IIBD COCc1cccc(CNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])c1 603860736 YGBSQXBDDUCPJI-UHFFFAOYSA-N 427.482 4.154 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N(Cc1ccccc1)c1ccc(Cl)cc1 603990105 IONIXFPRTLUXHY-UHFFFAOYSA-N 437.839 4.390 5 20 IIBD O=C(CN[C@@H](c1ccccc1)c1cccc(Cl)c1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 604009153 BTCWWRIFSSONJK-QFIPXVFZSA-N 439.855 4.295 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 604028684 FTZUTWASBNWSDX-UWVGGRQHSA-N 434.358 4.091 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@@H](NCc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 604048035 YLEBMGYAIUNZKM-QHCPKHFHSA-N 435.480 4.390 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1OC 604257187 AGSGNWRFKVRBLJ-AOOOYVTPSA-N 444.328 4.205 5 20 IIBD Cc1csc(NC(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)n1 604454992 ZXBJIUCILOGQOI-UHFFFAOYSA-N 447.498 4.113 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2nc3c(C)ccc(C)c3s2)ccc1[N+](=O)[O-] 608802940 OAEWKFBXRICPOU-QGZVFWFLSA-N 438.509 4.373 5 20 IIBD CCN(C)C(=O)[C@@H]1CSCN1C(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 608818911 JNLZLYOJVFISJX-SFHVURJKSA-N 445.566 4.048 5 20 IIBD COc1ccc(C[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)c2ccccc2)cc1OC 608949077 RQHDGGOBUPOZNT-NRFANRHFSA-N 436.464 4.091 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c1C 608980249 VLCMPHPUOPVHQP-KRWDZBQOSA-N 445.324 4.281 5 20 IIBD CN1C(=O)CCc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)ccc21 609219058 FCMKKSRKINYOLP-UHFFFAOYSA-N 430.464 4.368 5 20 IIBD CC(C)OCc1cccc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 609411233 ISLSEAXSCOKTTR-UHFFFAOYSA-N 429.292 4.083 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 610900183 FHDSBYWTPAUKHI-UWVGGRQHSA-N 435.118 4.170 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(OCc2ccc(F)cc2)CC1 611261915 UZUIRFITXQUKDR-AWEZNQCLSA-N 436.867 4.362 5 20 IIBD CSc1cccc(C(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)c1[N+](=O)[O-] 614414651 VIUZBGBTJAEGMZ-ZDUSSCGKSA-N 425.432 4.344 5 20 IIBD CCOc1cc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)c([N+](=O)[O-])cc1OCC 619212738 JRLKFPGQYRTINC-INIZCTEOSA-N 441.484 4.001 5 20 IIBD CCc1cccc[n+]1/C(C(=S)NCC(F)(F)F)=C(/O)c1ccc(C)c([N+](=O)[O-])c1 725760366 NKPWEELBENDRQI-UHFFFAOYSA-O 426.440 4.116 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NCc1cccc(COCc2ccccc2)c1 725822501 FACATFBGGGAMFJ-UHFFFAOYSA-N 446.912 4.444 5 20 IIBD C[C@@H](OC(=O)Cc1cccc(Br)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 725983479 VGFSONZNFRWRKQ-LLVKDONJSA-N 432.230 4.254 5 20 IIBD CCc1ccc(-c2noc(COC(=O)c3cc([N+](=O)[O-])ccc3Br)n2)cc1 725984661 LOHVMDFRXCDJIN-UHFFFAOYSA-N 432.230 4.327 5 20 IIBD CC(C)(C)c1nc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cs1 726685431 AHCDHDCGYBETAN-UHFFFAOYSA-N 431.392 4.163 5 20 IIBD O=C(COC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)Nc1ccc(F)c([N+](=O)[O-])c1 727926315 CMXFIBUJSVQLNR-NEPJUHHUSA-N 427.215 4.326 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](Cc3ccccc3)C2)cc1Br 730016409 CLVMTSZTHYKFOK-HNNXBMFYSA-N 439.331 4.001 5 20 IIBD O=C(Nc1sccc1C(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1O 730211829 KUFKPVPTWCVVFF-UHFFFAOYSA-N 431.857 4.198 5 20 IIBD CC(C)(C)OC(=O)NCc1cccc(OS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 730271457 TZOOHOOFSCPTON-UHFFFAOYSA-N 442.877 4.041 5 20 IIBD CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)c1ccc(I)c([N+](=O)[O-])c1 733933994 CNWKVILYDWZMAL-SECBINFHSA-N 444.191 4.248 5 20 IIBD Cc1cc(OC(F)F)c(C(=O)OC[C@@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])s1 734083255 NROFCHZOADIXPX-LBPRGKRZSA-N 440.424 4.028 5 20 IIBD COc1cc(COC(=O)c2cccc(Oc3cnccn3)c2)c([N+](=O)[O-])cc1OC(F)F 736925010 HTNYVJUMEODPFE-UHFFFAOYSA-N 447.350 4.144 5 20 IIBD CC(C)(C(=O)OCc1nc(-c2cccc(Br)c2)no1)c1ccc([N+](=O)[O-])cc1 740387549 IQRFPTILAPWKQW-UHFFFAOYSA-N 446.257 4.428 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cc(OC2CCCCC2)c(F)cc1N 741034603 SVOOEMVSNCFMPJ-UHFFFAOYSA-N 445.447 4.132 5 20 IIBD COc1cc(/C=C2\N=C(c3c(Cl)cccc3[N+](=O)[O-])OC2=O)c(SC)cc1OC 741169504 TYXDZIKCPWBCBQ-GHXNOFRVSA-N 434.857 4.332 5 20 IIBD CCOc1cc(N2CCC(OC(=O)Cc3cn(C)c4ccccc34)CC2)ccc1[N+](=O)[O-] 744202750 DSSJKNXIJQATEH-UHFFFAOYSA-N 437.496 4.240 5 20 IIBD CN(C(=O)c1ccc(Cl)cc1)c1ccc(OC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1 744282550 AOWHGUUIBRBGBR-UHFFFAOYSA-N 425.828 4.326 5 20 IIBD C/C(=C/C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 745482921 JHJVNBLFURWKEY-XFFZJAGNSA-N 426.322 4.338 5 20 IIBD COc1ccccc1[C@H](C)NC(=O)[C@@H](C)OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 745565686 WFQXMAJZIKGRRI-NWDGAFQWSA-N 440.374 4.045 5 20 IIBD CC(C)Cc1nc(C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)cs1 745753785 VZKOQIDANARSFZ-UHFFFAOYSA-N 429.502 4.351 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[C@H](C)CCOc1ccccc1 745975900 DIGMULLTUAADGP-QGZVFWFLSA-N 438.484 4.487 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 746254183 WKRJHILHKGFCMC-PGRDOPGGSA-N 427.476 4.062 5 20 IIBD O=C(NCCCc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1I 749526962 ZLSZNWGINPPAKF-UHFFFAOYSA-N 444.656 4.215 5 20 IIBD Cn1c(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)nc2cc(F)ccc21 750890696 PWMDNKGHLIPGDM-UHFFFAOYSA-N 427.617 4.289 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)c1ccc(N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 751273575 SJKPRYYJSJOFQN-QRWLVFNGSA-N 440.500 4.398 5 20 IIBD O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN(Cc1cc(F)ccc1F)C1CCCC1 751606616 XOWFAWKMPVUBBE-UHFFFAOYSA-N 440.450 4.499 5 20 IIBD Cc1nn(Cc2ccccc2)c2sc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)cc12 751835510 VLNSDSQKWZWZQO-UHFFFAOYSA-N 435.461 4.402 5 20 IIBD C[C@H]1C[C@H](N(C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCN1Cc1ccccc1 753917604 WJUICVZBNYSTFE-PKOBYXMFSA-N 428.508 4.047 5 20 IIBD CN(C)CCCOc1cccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c1 755005886 BMNDHIKLNFIYNR-UHFFFAOYSA-N 440.269 4.079 5 20 IIBD CCc1ccc(-c2noc([C@H](C)NC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)n2)cc1 760825995 QDNNWDIOQCUXIH-ZDUSSCGKSA-N 439.428 4.223 5 20 IIBD C[C@@H](Sc1nc2ccccc2s1)C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 762904794 WDNPUQPLVZYBJM-SNVBAGLBSA-N 435.458 4.006 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)Nc1cc(C)ccc1C 763808922 CJUCIBXNGXLCQO-HNNXBMFYSA-N 432.498 4.134 5 20 IIBD O=C(OCc1ccc(OCc2ccccn2)cc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 763870402 QRMAALYVSPHNDT-UHFFFAOYSA-N 430.420 4.112 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(Oc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)c1 765001331 NCRHVSCGKIKHDK-UHFFFAOYSA-N 425.353 4.056 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@]2(CCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)C1 765739030 MVQDYYUURUQWMI-IBGZPJMESA-N 443.422 4.087 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)O[C@@H]2CCc3sc(Cl)cc32)ccc1[N+](=O)[O-] 766540299 OUAJDCPBNMEJII-HZPDHXFCSA-N 434.901 4.453 5 20 IIBD Cc1nn(CCC(=O)N(c2ccc(N(C)C)cc2)[C@@H](C)c2ccccn2)c(C)c1[N+](=O)[O-] 766587710 KKQHHZGDCKIDDH-KRWDZBQOSA-N 436.516 4.054 5 20 IIBD CCOc1cc(/C=C/C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1O 768617148 DHHWXRSOSRUGHY-KKNAONHISA-N 425.397 4.067 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCCO)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 768627797 XJTZPGPKJYOACB-CQSZACIVSA-N 440.443 4.328 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N(Cc1ccccc1)C[C@H](O)c1cccc(C)c1 769031978 CFTQXTWQYOLVGI-QHCPKHFHSA-N 449.507 4.357 5 20 IIBD CC(C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(Br)ncc1[N+](=O)[O-] 769838075 FAFJIBRBWZNHEW-NSHDSACASA-N 436.262 4.060 5 20 IIBD C[C@@H]1OCC[C@@H]1C(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 770739498 CIGAARZFVNQCCQ-GWCFXTLKSA-N 439.251 4.484 5 20 IIBD COc1cc(COC(=O)c2cnc(Oc3ccccc3)cn2)c([N+](=O)[O-])cc1OC(F)F 773666224 HWNQUFRAHDJNRT-UHFFFAOYSA-N 447.350 4.144 5 20 IIBD CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 776004576 RPBWWFVVAOSVNM-JDNHERCYSA-N 429.217 4.142 5 20 IIBD O=C(Cc1ccn(-c2ccc(F)cc2)n1)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776136685 LAIFEBADESLSKI-QHCPKHFHSA-N 432.411 4.190 5 20 IIBD Cc1cc(F)cc(C(=O)Nc2cnc3c(c2)C[C@@H](NC(=O)OC(C)(C)C)CC3)c1[N+](=O)[O-] 777234522 JUGVHMVRIKMDKF-HNNXBMFYSA-N 444.463 4.072 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)c(Cl)c1 777848472 BUEMFTZTASSESW-LLVKDONJSA-N 448.280 4.085 5 20 IIBD O=C(Nc1cc(F)c(N2CCCCC2)c(F)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 778733564 USFSESARYMTGFG-UHFFFAOYSA-N 427.411 4.301 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)[C@H](c2ccccc2)N(C)C)c2ccccc2)c([N+](=O)[O-])c1 780092379 NAAIOPVKOWRNQS-XZOQPEGZSA-N 447.491 4.429 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1cc(C)nn1C(C)(C)C 780289751 RXZUXPMAGQHEPK-UHFFFAOYSA-N 434.518 4.152 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1 780326839 SZTPCVQMUFXTCU-UHFFFAOYSA-N 445.516 4.401 5 20 IIBD CN(C[C@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1)C(=O)OC(C)(C)C 780464662 YMWYPLRGKCQZPL-QGZVFWFLSA-N 449.551 4.400 5 20 IIBD O=C(OCc1c(F)c(F)c(F)c(F)c1F)c1cccc([N+](=O)[O-])c1Br 781675218 CCOXDUOZIMQUQT-UHFFFAOYSA-N 426.091 4.410 5 20 IIBD O=C(OCc1cccc(C(=O)N2CCCCC2)c1)c1cccc([N+](=O)[O-])c1Br 781676413 RPPLMPJNWKVEHE-UHFFFAOYSA-N 447.285 4.340 5 20 IIBD COc1cc(NC(=O)C(C)(C)C)c(C(=O)OCc2ccc([N+](=O)[O-])c(F)c2)cc1OC 781870872 ZLGSUEFYHAPFID-UHFFFAOYSA-N 434.420 4.093 5 20 IIBD CCOc1cc2c(cc1CNC(=O)c1cccc([N+](=O)[O-])c1Br)O[C@H](C)C2 782117169 KUQFUGDDHYFLCI-LLVKDONJSA-N 435.274 4.009 5 20 IIBD O=C(NCC1(c2ccc(C(F)(F)F)cc2)CC1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 782156283 BMEWIUSKGGQOEC-UHFFFAOYSA-N 441.793 4.054 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N[C@@H](c2ccccc2)C(C)C)cc1[N+](=O)[O-] 784622022 SRQNUANGKMBWJD-QGZVFWFLSA-N 434.290 4.118 5 20 IIBD Cc1nc(-c2cccc(NC(=O)COC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)c2)cs1 785949239 OCLNNXCWJNAPPY-UHFFFAOYSA-N 445.884 4.405 5 20 IIBD Cc1nc2c(cnn2C(C)C)cc1C(=O)O[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 787023564 AIEAXPWKHXJTQC-QGZVFWFLSA-N 441.463 4.194 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccccc2CS(=O)(=O)c2ccccc2)c1F 790465417 TUFCYZOZOXSKJR-UHFFFAOYSA-N 428.441 4.269 5 20 IIBD C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 793598349 NWYKKHICKJXUEG-LIRRHRJNSA-N 447.417 4.292 5 20 IIBD C[C@H](OC(=O)c1cc2sc(N3CCCC3)nc2s1)C(=O)Nc1ccc([N+](=O)[O-])cc1 796313472 LHFXRPKENVRXSG-NSHDSACASA-N 446.510 4.050 5 20 IIBD O=C(CCN[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)Nc1cc([N+](=O)[O-])ccc1F 796572838 JLVHKVCACVTLJJ-INIZCTEOSA-N 449.788 4.058 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCO[C@@H](c3ccccc3Br)C2)c1 798322953 NSTSTVWFTIJECI-LJQANCHMSA-N 449.301 4.035 5 20 IIBD COc1ccc(C2=NO[C@@H](CNc3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])C2)cc1 800876031 VBTAHVCVXJQDHB-GFCCVEGCSA-N 446.332 4.258 5 20 IIBD O=C(Nc1ccccc1)c1cccc(C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 803910298 ZGVUZQOWUIAMNJ-UHFFFAOYSA-N 444.403 4.254 5 20 IIBD CCC[C@H](C(=O)OC1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1)c1ccccn1 810595351 IEKAKMAPSVUDJT-IBGZPJMESA-N 427.501 4.484 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ccc(N2CCCCC2=O)cc1 811009952 UFFHJEMRFGQDND-CVEARBPZSA-N 427.526 4.470 5 20 IIBD O=C(O[C@@H](c1nc2ccccc2o1)C(F)(F)F)c1ccn(-c2ccccc2[N+](=O)[O-])n1 816063563 NQUFWOIWZDZELO-INIZCTEOSA-N 432.314 4.382 5 20 IIBD CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cccc([N+](=O)[O-])c1Cl 816946833 XYNTWPLRSGWCLQ-UHFFFAOYSA-N 449.891 4.135 5 20 IIBD O=C(Nc1ccc(OS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1)c1cccs1 913072973 HPUCSDHBLJHDMR-UHFFFAOYSA-N 438.870 4.330 5 20 IIBD COC(=O)c1ccc2ccccc2c1OC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 914721500 FCHWPKLAYHNNHP-UHFFFAOYSA-N 441.461 4.382 5 20 IIBD COc1ccc(Cl)cc1CN1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 915307661 OSZLXHCZTIGDEI-UHFFFAOYSA-N 439.299 4.260 5 20 IIBD O=C(COC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H](Cc1ccccc1)c1ccccc1 917657188 XABNVKZLUMZEHY-NPSSKHJUSA-N 430.460 4.251 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cc(Br)ccc1Cl 918859306 FMYDSGCHLCCRHJ-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 919442774 FUCAEFXQDJEHOM-NSHDSACASA-N 427.240 4.159 5 20 IIBD C[C@@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F)c1cccc([N+](=O)[O-])c1 920157992 MTQYNPZLLXNYRK-DYVFJYSZSA-N 434.395 4.105 5 20 IIBD COc1ccc(COC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)cc1[N+](=O)[O-] 920594481 UNYANPCEZJILQU-CYBMUJFWSA-N 439.251 4.007 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)Nc1ccc2c(c1)CCCN2C)c1ccccc1[N+](=O)[O-] 920785419 ZMLFEXZWUABDIY-IBGZPJMESA-N 440.500 4.182 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2 921277284 WGJBOSIZYJOBAN-HNNXBMFYSA-N 443.525 4.005 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2c3ccccc3nn2C)c2ccccc2)c([N+](=O)[O-])c1 1116665001 LIOLJEDWSWRMGA-JOCHJYFZSA-N 444.447 4.327 5 20 IIBD O=C(c1cc(-c2ccccn2)ccc1Cl)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1319704745 QVDKAGWAJGNTHU-UHFFFAOYSA-N 436.899 4.268 5 20 IIBD CC(C)(C)OC(=O)NCc1ccccc1CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 1321014470 CWUUTQRTPAOEFZ-RBUKOAKNSA-N 429.521 4.090 5 20 IIBD CCN(CC)C1CCN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 1327151422 VWVJJMYBUBORQH-KRWDZBQOSA-N 425.533 4.109 5 20 IIBD C[C@H](C(=O)NC1(c2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc2)CCC1)n1cccc1 1790757963 SDXQFRWWQMBLMK-MRXNPFEDSA-N 448.479 4.111 5 20 IIBD Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)cc1 1800040491 ZICYZDPPFSRHAP-KOUNCHBCSA-N 447.535 4.277 5 20 IIBD Cc1occc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])[nH]n1 1816438065 KKEKSJRHLGQHAR-XTXLJPNXSA-N 449.467 4.239 5 20 IIBD Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@]3(C)C[C@H]3C)CC2)cc1[N+](=O)[O-] 1830222704 OSAYBCBDXWMYCN-DHTSOJEISA-N 441.572 4.112 5 20 IIBD Cc1c(C(=O)N2CC3(CCCN3C(=O)CCc3ccsc3)C2)cc(Cl)cc1[N+](=O)[O-] 1843039629 UHGGFQNUOGTOIJ-UHFFFAOYSA-N 447.944 4.068 5 20 IIBD O=C(c1ccccc1C1CC1)N1CC2(CCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 1847061251 IPYDOHJIUDTRFQ-OUKQBFOZSA-N 431.492 4.003 5 20 IIBD C[C@H](OC(=O)c1ccccc1CSC1=NCCS1)C(=O)Nc1cccc([N+](=O)[O-])c1 9556141 UZEXTELXAOHZGN-ZDUSSCGKSA-N 445.522 4.115 5 20 IIBD CSc1ccccc1NC(=O)[C@H](C)OC(=O)Cn1c2ccccc2c(=O)c2ccccc21 11277660 TWJUTIRGZGIHFH-INIZCTEOSA-N 446.528 4.447 5 20 IIBD CCn1c(SCc2cn3cccc(C(=O)OC)c3n2)nc2cc3ccccc3cc2c1=O 11283487 VFUXGMUQEFMSJC-UHFFFAOYSA-N 444.516 4.296 5 20 IIBD Cc1cccc(NS(=O)(=O)c2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc2C)c1 15950408 KFGWJMWFOJLXQX-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD Cc1ccc(-c2nc(CC(=O)O[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])cs2)cc1 17205620 UXZJAXJQENUCMY-AWEZNQCLSA-N 425.466 4.140 5 20 IIBD COc1ccc(OC)c([C@@H](C)NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)c1 18275324 KSKGVUDCSGFBSA-LLVKDONJSA-N 433.511 4.191 5 20 IIBD Cc1c(NC(=O)[C@H](C)Oc2ccc3c(C(F)(F)F)cc(=O)oc3c2)cccc1[N+](=O)[O-] 21561429 DZFVGQNRBGQRQU-NSHDSACASA-N 436.342 4.434 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)NC(C1CC1)C1CC1 21846415 HBHVQBUTXVNIAP-UHFFFAOYSA-N 426.494 4.208 5 20 IIBD O=C(CSc1ncnc2ccsc12)Nc1ccc([N+](=O)[O-])cc1Br 26952195 PWUXKIYLLLBLJD-UHFFFAOYSA-N 425.289 4.093 5 20 IIBD CNC(=O)c1ccc(C)c(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)c1 33168341 ILJLNRBBOQIRKJ-UHFFFAOYSA-N 435.436 4.316 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(SCc2cn3ccccc3n2)cc1 33180149 RSJPDHIIIVOENF-UHFFFAOYSA-N 447.520 4.377 5 20 IIBD CCCCCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 60460253 GGWDNHNGZULBPW-UHFFFAOYSA-N 438.933 4.484 5 20 IIBD CC[C@H]1CCCN(C(=O)c2ccccc2NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C1 63782285 QSIDCAYOYZCHQG-KRWDZBQOSA-N 445.541 4.275 5 20 IIBD COc1cc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)ccc1OCc1ccccc1 107880151 KIVDCVDMOJMWOT-UHFFFAOYSA-N 447.491 4.145 5 20 IIBD CN(C)S(=O)(=O)c1ccccc1CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 237088662 WHAOGKJCGTVQNY-UHFFFAOYSA-N 449.916 4.048 5 20 IIBD C[C@H](C(=O)O)[C@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 237630112 QEJWSMSWQVUAEL-AOMKIAJQSA-N 433.464 4.399 5 20 IIBD O=C(Nc1ccc(CNc2ncc(Br)cc2[N+](=O)[O-])cc1)c1ccncc1 301711454 XXWHWWDXQAWXOI-UHFFFAOYSA-N 428.246 4.012 5 20 IIBD Cc1ccccc1C1(CNC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CCCCC1 303155888 SIGGURFSACOESO-UHFFFAOYSA-N 441.553 4.113 5 20 IIBD C[C@H]1C[C@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN1Cc1ccccc1 303792926 VGPBWAIAMLUXJA-FUHWJXTLSA-N 430.936 4.172 5 20 IIBD O=C(CCn1nc(-c2ccc(F)cc2)c2ccccc2c1=O)Nc1ccccc1[N+](=O)[O-] 409852256 CXXLNSKQNUDYLS-UHFFFAOYSA-N 432.411 4.140 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc2ccc(Cl)cc2n1 410388087 KHCZMPKJLMNSNX-UHFFFAOYSA-N 426.816 4.123 5 20 IIBD COc1cc(C[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)C(=O)O)cc(OC)c1 426809608 FLEKFICECFPEKA-LJQANCHMSA-N 442.493 4.126 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@H]1CCOC1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 428579519 GLJDRJRKUAIFNL-LBPRGKRZSA-N 443.843 4.170 5 20 IIBD NC(=O)c1ccc(SCC(=O)N[C@@H](c2cccc(Cl)c2)C2CCCC2)c([N+](=O)[O-])c1 434324723 OEJIRFMLNXIQRJ-HXUWFJFHSA-N 447.944 4.487 5 20 IIBD CCc1onc(C)c1NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 434399636 OSWUDBNNKPDIBL-UHFFFAOYSA-N 432.483 4.244 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2nc([C@H]3C[C@H]4CC[C@H]3C4)cs2)cc1[N+](=O)[O-] 434809993 QYPRKOWCZUIHQR-SDADXPQNSA-N 428.514 4.079 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2)c1cccc([N+](=O)[O-])c1 434941370 CNMDXUGBHGLBOP-OCCSQVGLSA-N 430.530 4.018 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CNC[C@H](CO)Cc3cc(F)c(F)c(F)c3)cs2)c1 443988092 KQLCCZGDPJOQSY-CYBMUJFWSA-N 437.443 4.076 5 20 IIBD O=C(NCc1cccc2c1OCCCO2)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444248307 HOSOZWBDMQTWGP-UHFFFAOYSA-N 436.414 4.051 5 20 IIBD Cc1cccc(NC2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)CC2)c1 446316607 XALRRHOGASUEOX-UHFFFAOYSA-N 432.318 4.311 5 20 IIBD Cc1nc(CNC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)oc1-c1ccc(Cl)cc1 447284784 ASUUUGNZOQZXMH-UHFFFAOYSA-N 438.827 4.395 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 447812081 JNGORFJAASVCDW-WIYYLYMNSA-N 435.883 4.162 5 20 IIBD COCCSc1ccc([C@H](C)Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])cc1 447815822 HWDFZPKHUKXZPM-KRWDZBQOSA-N 431.558 4.339 5 20 IIBD COc1cccc([C@@H]2CCCN2c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@H]2CCOC2)c1 461639536 GYNYERTXKDHNDZ-VGSWGCGISA-N 449.511 4.240 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 462925291 LQCUQOFBIWCVOF-GOSISDBHSA-N 443.931 4.192 5 20 IIBD Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cc1 464055649 WWOGFMCXNWFATG-WOJBJXKFSA-N 446.507 4.166 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1cccc(-c2nc3ccccc3[nH]2)c1 465049748 FKTQFLSJZVBBLH-UHFFFAOYSA-N 430.420 4.091 5 20 IIBD CC(C)C(=O)NCCCNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 468045755 YBXNPXSCMYCKBP-UHFFFAOYSA-N 435.933 4.292 5 20 IIBD CN1CCN(Cc2cccc(C(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)c2)CC1 469537510 KUJFDDLBHOHENL-UHFFFAOYSA-N 446.507 4.387 5 20 IIBD COc1ccc(Br)c(CN(C)C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c1 469836831 RNVUPXIDYMBUCS-UHFFFAOYSA-N 439.281 4.441 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3cc(F)ccc3OC(F)F)cc2)c(C)c1[N+](=O)[O-] 470109369 ACNOEILMPIJOSV-UHFFFAOYSA-N 434.374 4.449 5 20 IIBD O=C(NCCc1nc(C(F)(F)F)cs1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 475216579 OXGSZCHRRVUCKF-UHFFFAOYSA-N 428.314 4.453 5 20 IIBD COc1cc(CNc2cccc(-n3cc(C)nc3O)c2)c([N+](=O)[O-])cc1OCC(F)F 475514218 XAJMSNJYZINSKN-UHFFFAOYSA-N 434.399 4.059 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CCO[C@H](c3ccc(F)cc3Cl)C2)c1Br 475735667 UBPWWBORMYDMOG-AWEZNQCLSA-N 430.661 4.431 5 20 IIBD CCCc1[nH]nc(C(=O)Nc2nc(-c3cccc(Br)c3)cs2)c1[N+](=O)[O-] 476812718 BKTLNVNORKLHLZ-UHFFFAOYSA-N 436.291 4.409 5 20 IIBD Cc1ccnc([C@@H](NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)C2CC2)n1 478501884 FMIJXPGKQSOUDM-KRWDZBQOSA-N 441.538 4.490 5 20 IIBD CCn1c(S[C@@H](C)C(=O)NCCc2ccccc2C)nnc1-c1ccc([N+](=O)[O-])cc1 481340093 ONPYLMGMPFYSTH-INIZCTEOSA-N 439.541 4.021 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@@H]4[C@H](CCCN4Cc4ccccc4)C3)n2)cc1 485361510 NTRNCZCKHUXUTC-IFMALSPDSA-N 433.512 4.131 5 20 IIBD COc1cc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c(SC)cc1OC 485571485 AYCYXXDZLHPKPU-UHFFFAOYSA-N 442.440 4.208 5 20 IIBD Cc1c(Br)cccc1-c1noc(CSc2ccc(C(N)=O)cc2[N+](=O)[O-])n1 485871713 QUPYFBQOOKIBAR-UHFFFAOYSA-N 449.286 4.107 5 20 IIBD CS(=O)(=O)Nc1cccc(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 486997783 JWVZVYNRXMNUDP-UHFFFAOYSA-N 443.506 4.370 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1[N+](=O)[O-] 488037768 GWQUYRRKYLUIJK-WBVHZDCISA-N 428.464 4.164 5 20 IIBD COc1cc(C(=O)Nc2nnc(/C=C/c3ccco3)s2)c([N+](=O)[O-])cc1OC(F)F 490298932 HGYVQEDSLBHYES-SNAWJCMRSA-N 438.368 4.072 5 20 IIBD COc1cc(Br)cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1 498318210 VXNVMVTVWHXUAB-UHFFFAOYSA-N 444.079 4.310 5 20 IIBD CCCN(C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@H](C)c1cc2ccccc2o1 498432282 ATAOOFQSQAYRMS-MRXNPFEDSA-N 438.484 4.140 5 20 IIBD COC(=O)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)Cc1ccc2ccccc2c1 498626608 OPQQSZGCPBWOCX-KRWDZBQOSA-N 426.856 4.163 5 20 IIBD COc1cc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)c([N+](=O)[O-])cc1OC(F)F 499400927 SAHILRVTUXSSLQ-SFHVURJKSA-N 449.454 4.080 5 20 IIBD Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCCN1c1ncc(Cl)cc1[N+](=O)[O-] 500874010 ZHYMLFMAHHFNTA-SFHVURJKSA-N 431.855 4.163 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(CC(=O)N2CCc3ccccc32)cc1 501698619 NZYMFWVBQPJRAT-UHFFFAOYSA-N 445.475 4.134 5 20 IIBD Cc1cc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)ccc1F 504984899 JSFSNKLNROZOPL-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD COc1cc(OC)c(OC)cc1CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)(C)C 506561605 MNAOCHLMOMHBKY-UHFFFAOYSA-N 446.500 4.288 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1ccc(F)cc1Cl)CC1CC1 506738061 QFGSJPGNJHVXTM-UHFFFAOYSA-N 449.866 4.163 5 20 IIBD COCCSc1ccc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 507461348 TZYOUIYGEWWPIL-GFCCVEGCSA-N 430.935 4.026 5 20 IIBD CC(C)SCCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 509671765 MYZYUKVAISRMOX-UHFFFAOYSA-N 425.557 4.004 5 20 IIBD CCOc1cc(C(=O)NCC[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC 510168169 PIRXRIJBZLWZJX-IEBWSBKVSA-N 441.528 4.033 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CC[C@@H]2c2ccc(Cl)cc2)c1 511272298 OQEMJHJMMSUFIE-OAHLLOKOSA-N 431.695 4.146 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CC[C@H](n4ncc5ccccc54)C3)cc2[N+](=O)[O-])CC1 511742147 MGAGRBRXYIXGJG-FQEVSTJZSA-N 433.512 4.268 5 20 IIBD CC(C)(C)c1csc([C@H]2CN(C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)CCO2)n1 511884591 MDKOQNJAAOTBHV-OAHLLOKOSA-N 438.937 4.285 5 20 IIBD COC[C@@H](CNC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OC 512114340 OVMUBYIFNFVXCR-CYBMUJFWSA-N 444.431 4.156 5 20 IIBD COC[C@H](C)n1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1-c1ccccc1 512385045 ABUOGBYHGNANIF-HNNXBMFYSA-N 441.513 4.100 5 20 IIBD CC(C)[C@@H](NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1nncn1C 512526773 JBBUMFQVRBZVAR-OAQYLSRUSA-N 431.500 4.063 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)CSc1nnc(-c2cccs2)n1C1CC1 512997824 JTAHQHDQTQXCQZ-UHFFFAOYSA-N 443.554 4.043 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 520098946 HCZGUPPVEHBUBI-UHFFFAOYSA-N 447.373 4.010 5 20 IIBD Cc1csc(-c2ccc(NC(=O)CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2)n1 521727392 ULMHZSIADSXNTQ-UHFFFAOYSA-N 430.873 4.049 5 20 IIBD CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)cc1 523254134 PGAAJKXSOZLDOU-UHFFFAOYSA-N 430.413 4.182 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1ccc([N+](=O)[O-])cc1Br 524144226 PHTOCEYBRFTSGM-UHFFFAOYSA-N 429.274 4.090 5 20 IIBD O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCN2CCOc3cccc1c32 536591995 JTFBTRPWBRTHAV-UHFFFAOYSA-N 430.464 4.066 5 20 IIBD COc1cc(CN2CCO[C@@H](c3ccccc3C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F 536668788 PCNOTCCJBSKZNA-HXUWFJFHSA-N 440.418 4.426 5 20 IIBD CCCCOc1ccc([C@H](C)Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1OC 537640666 FGKGMJYCNJFJQT-LBPRGKRZSA-N 428.532 4.420 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 541135759 IMPWSRGXWUATEO-QGZVFWFLSA-N 426.416 4.306 5 20 IIBD Cc1ccc(C)c(-c2nn(C[C@H](O)COc3ccccc3[N+](=O)[O-])c(=O)c3ccccc23)c1 543120303 QOGGGSLUFSGIJJ-SFHVURJKSA-N 445.475 4.028 5 20 IIBD COC(=O)c1ccc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)nc1 549015129 MWDZPHBVMZUBDG-UHFFFAOYSA-N 427.800 4.474 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCOC[C@H]1[C@@H]1CCCO1 553016379 UFMMFAUZADBVRT-OALUTQOASA-N 432.860 4.061 5 20 IIBD CCOC(=O)c1csc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])n1 553456188 FIWGFRSQHLCZLO-UHFFFAOYSA-N 427.438 4.059 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1c1nc(-c2ccc([N+](=O)[O-])s2)no1 554824888 ZKVDNXPNWWETMA-LBPRGKRZSA-N 434.861 4.346 5 20 IIBD CN(CCOc1ccc(OCc2ccccc2)cc1)c1cc2ncnc(O)c2cc1[N+](=O)[O-] 568312638 PGNFRZFDWJMSBK-UHFFFAOYSA-N 446.463 4.338 5 20 IIBD O=c1oc2cc([N+](=O)[O-])ccc2n1CCCc1nc(-c2cc(Cl)cc(Cl)c2)no1 572174232 GWJJUSHASBMPER-UHFFFAOYSA-N 435.223 4.492 5 20 IIBD Cc1ccc(Sc2ccc(CN3CCOC[C@@H]3[C@H]3CCC[C@@H]3O)cc2[N+](=O)[O-])cc1 575034873 GMJBZAVUHLLMFC-FCEUIQTBSA-N 428.554 4.416 5 20 IIBD Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 577043458 MJEIDCORQNRWCP-XMSQKQJNSA-N 433.512 4.289 5 20 IIBD CN1CCC(Nc2ccccc2NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 588743718 HFZSKVMWGVESDS-UHFFFAOYSA-N 440.547 4.300 5 20 IIBD Cc1cc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nn1C1CCCCC1 589366067 ITXPYNYVZBLJCI-UHFFFAOYSA-N 425.411 4.945 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 601905498 YYMQYSBWCNOJJD-CYBMUJFWSA-N 442.884 4.363 5 20 IIBD Cc1cc(Br)oc1C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 603751926 UFDMLLFWFIBSPE-ZDUSSCGKSA-N 439.262 4.072 5 20 IIBD Cc1ccc(C(=O)NCC2(c3cccc(Br)c3)CCOCC2)cc1[N+](=O)[O-] 603937361 DQIOQCYDXDMGHM-UHFFFAOYSA-N 433.302 4.144 5 20 IIBD COc1cc(OCC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] 604456616 CKIYUMVMZMFQIK-NXEZZACHSA-N 444.328 4.008 5 20 IIBD CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cc1Cl 608939953 QSCFLLGRCWCDFC-UHFFFAOYSA-N 447.875 4.190 5 20 IIBD O=C1[C@H](Sc2nnc(-c3ccccc3F)n2C2CC2)CCN1c1cccc([N+](=O)[O-])c1 609449846 PFZAWKLGWXKBCU-GOSISDBHSA-N 439.472 4.225 5 20 IIBD CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 609500922 QIINYKQYJCETDG-AWEZNQCLSA-N 442.324 4.226 5 20 IIBD COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1NC(=O)C1CCCCC1 609705783 ICPBPXMMAHDNOA-UHFFFAOYSA-N 447.513 4.231 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CN[C@@H](Cc3ccccc3)[C@H](O)C(F)(F)F)cs2)c1 609707714 UUQOCVQJGGFWMN-ROUUACIJSA-N 437.443 4.342 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H]1CSc2ccccc21 609805708 CCMIDOZJNSUGIV-CQSZACIVSA-N 426.420 4.172 5 20 IIBD O=C(CSc1nccn1-c1ccc(C(F)(F)F)cc1)N1CCc2c1cccc2[N+](=O)[O-] 609992793 RCTWUWPYMHORBU-UHFFFAOYSA-N 448.426 4.481 5 20 IIBD C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(NC(=O)C2CC2)cc1 610039636 UHXQMCQYLNYRHC-NSHDSACASA-N 432.274 4.197 5 20 IIBD O=C(c1nc(N2CCCC2)ncc1Cl)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 610365310 FGFHQTLYKODDKQ-UHFFFAOYSA-N 437.887 4.485 5 20 IIBD O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 610963854 XSFFJSQIMWLWHI-OAHLLOKOSA-N 430.455 4.074 5 20 IIBD O=C(Nc1nc2c(s1)CCN(Cc1ccccc1)C2)c1c[nH]c2cccc([N+](=O)[O-])c12 611195454 RTBSNFWILPJXOC-UHFFFAOYSA-N 433.493 4.343 5 20 IIBD CNc1c(C(=O)N2CCc3[nH]c4c(Br)cccc4c3C2)cccc1[N+](=O)[O-] 613229122 WSPKSZGCEHYZGW-UHFFFAOYSA-N 429.274 4.079 5 20 IIBD Cc1ccc(C(=O)N2CCN(C(=O)c3cc4ccccc4c4cccnc34)CC2)cc1F 614742737 ATCSSFNIEYUHCB-UHFFFAOYSA-N 427.479 4.434 5 20 IIBD CN(C[C@H]1CCCO[C@H]1c1ccccc1)c1cc(CN2CCOCC2)ccc1[N+](=O)[O-] 619153448 RRZKQCMQKFHKKK-QPPBQGQZSA-N 425.529 4.031 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccccc1C(=O)Nc1ccc(Cl)cn1 726530375 USLCYRMCIQLMLX-UHFFFAOYSA-N 440.843 4.303 5 20 IIBD Cc1ccc(NC(=O)c2cccc(OC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)c2)cc1 727327559 BKTZWSGOVPUFNO-UHFFFAOYSA-N 434.404 4.146 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN(C(=O)OC(C)(C)C)Cc2ccccc21 728053899 BIDYPDDSLLOHAD-UHFFFAOYSA-N 440.500 4.099 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)[C@H]1CCCCN1C(=O)c1ccccc1 729115478 TYSFKCQMMZSFNU-HXUWFJFHSA-N 426.469 4.120 5 20 IIBD O=C(NS(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1cc2cc([N+](=O)[O-])ccc2s1 730408041 XKKVNSDZKMYTBG-UHFFFAOYSA-N 448.375 4.086 5 20 IIBD CCOC(=O)Nc1ccc2c(COC(=O)c3c(Cl)cccc3[N+](=O)[O-])cc(=O)oc2c1 730643544 SHXMCSLEPKKFKB-UHFFFAOYSA-N 446.799 4.280 5 20 IIBD COc1ccc2cc(CN(C)C(=O)[C@@H](C)OC(=O)c3ccc([N+](=O)[O-])c(F)c3)ccc2c1 731519166 QQGHFNOXBIMWFE-CQSZACIVSA-N 440.427 4.100 5 20 IIBD Cc1cc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)c2cc(Br)ccc2n1 731721886 ZAMDHKXFLPDVDO-UHFFFAOYSA-N 429.226 4.254 5 20 IIBD CC[C@@H](C)C(=O)Nc1cccc(CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])c1 731973962 QIHAPMDYCPNXSR-GFCCVEGCSA-N 441.456 4.188 5 20 IIBD CN(C)CCOc1ccc(N(C)C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1 732007184 WLOITRGAFFPUJA-UHFFFAOYSA-N 448.523 4.424 5 20 IIBD CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] 733107168 IUKRQEZHEWVBDV-UHFFFAOYSA-N 440.725 4.215 5 20 IIBD CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCc1ccc(Cl)cc1[N+](=O)[O-] 734752512 OAALNZIHRQIOSS-UHFFFAOYSA-N 446.803 4.098 5 20 IIBD O=C(COc1cccc(NC(=O)c2ccco2)c1)OCc1ccc(Cl)cc1[N+](=O)[O-] 734888350 HYYOMKIIZZTAOO-UHFFFAOYSA-N 430.800 4.216 5 20 IIBD CC(C)Oc1cccc([C@@H](O)CNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c1 735075566 BWHZRGIWHZOJOU-INIZCTEOSA-N 429.351 4.455 5 20 IIBD C[C@H](OC(=O)c1cnc(-c2ccccc2)[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 735958327 MFXIXHKUYWFLES-NSHDSACASA-N 448.357 4.188 5 20 IIBD COc1cc(C(=O)Nc2ccc(N3CCSCC3)cc2)c([N+](=O)[O-])cc1OC(F)F 741578872 ANHGSZKVFDAINC-UHFFFAOYSA-N 439.440 4.010 5 20 IIBD CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 742587344 AAYXDOXGHALTQX-ZDUSSCGKSA-N 431.411 4.133 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1cnc(-c2ccccc2)nc1 743607674 IPCCHYGXSZILOW-UHFFFAOYSA-N 444.451 4.153 5 20 IIBD COc1ccc(OCCOC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c([N+](=O)[O-])c1 744576114 MCHWRSCZQAOZIV-UHFFFAOYSA-N 440.456 4.042 5 20 IIBD O=C(NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1ccc(NC2CC2)c([N+](=O)[O-])c1 748544927 VXKBUSXPJZWALX-SFHVURJKSA-N 443.809 4.002 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Br)N(Cc1cccc(F)c1)C[C@H]1CCCO1 751123298 WOAXBIKHKGOWQL-MRXNPFEDSA-N 437.265 4.318 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 751396650 KVDMIUHYLKOSIK-JXMROGBWSA-N 428.876 4.028 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)cc1[N+](=O)[O-] 752438832 OMVFMKBANSJPII-JTQLQIEISA-N 431.792 4.006 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC(OC2CCCCC2)CC1 754994454 NIZVBQKIINPQTQ-UHFFFAOYSA-N 429.286 4.450 5 20 IIBD O=c1c(-c2ccccc2)coc2cc(OC[C@H](O)COc3cccc([N+](=O)[O-])c3)ccc12 755307136 MFAUAALCBALKKM-GOSISDBHSA-N 433.416 4.187 5 20 IIBD COc1ccc(CN(C)C(=O)c2cccc([N+](=O)[O-])c2Br)cc1OC(F)F 758009556 BBGGNGJKNNOZDP-UHFFFAOYSA-N 445.216 4.240 5 20 IIBD Cc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2Br)c(OC[C@H]2CCCO2)c1 758668237 ZOFONTIPMAQZEF-OAHLLOKOSA-N 449.301 4.154 5 20 IIBD COC(=O)[C@H](C)Cc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1 760142100 LJENJETWSQSRHG-SNVBAGLBSA-N 439.237 4.100 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(CNC(=O)C2CCCC2)cc1 760517623 BRFVWWPGTXEJLW-UHFFFAOYSA-N 449.463 4.413 5 20 IIBD CSc1cc(C(=O)OCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c(Cl)cc1Cl 761301586 ADUYZZZPUARNGJ-UHFFFAOYSA-N 429.281 4.443 5 20 IIBD O=[N+]([O-])c1ccc2cnn(Cc3nc(-c4ccc(-n5cnc6ccccc65)cc4)no3)c2c1 761869298 YMQVBTZUCGHOSO-UHFFFAOYSA-N 437.419 4.382 5 20 IIBD CCc1noc2ncc(S(=O)(=O)Oc3ccc([N+](=O)[O-])cc3-c3cccs3)cc12 762519700 GSRVJXDVDKUGOU-UHFFFAOYSA-N 431.451 4.190 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 764025910 AZZVOWPWEWGWMA-GOSISDBHSA-N 429.517 4.123 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 765217578 VESSYHGARQPMAB-YOEHRIQHSA-N 437.562 4.472 5 20 IIBD Cc1ccc(-c2csc(NC(=O)COC(=O)c3ccc([N+](=O)[O-])c4cccnc34)n2)cc1 766222645 POPZYBBXQCDTSY-UHFFFAOYSA-N 448.460 4.370 5 20 IIBD Cc1c(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccc[nH]2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 766547804 XNYMMKHMDARAHM-UHFFFAOYSA-N 428.788 4.276 5 20 IIBD CC(C)(C)Sc1ccc(NC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)cc1 766595342 ZNTQDLQOTQPYDH-UHFFFAOYSA-N 427.482 4.391 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN3CCN(c4ccc([N+](=O)[O-])nc4)CC3)o2)c(Cl)c1 768301870 ACMHNUJQWPYYFY-UHFFFAOYSA-N 443.847 4.134 5 20 IIBD C[C@@]1(O)CCN(Cc2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c2)C1 769543427 PKNSJOLOHHVGHQ-LJQANCHMSA-N 446.510 4.221 5 20 IIBD CN(CCC1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1)C(=O)OC(C)(C)C 769917989 KMGLKYGSVVKFOC-UHFFFAOYSA-N 443.342 4.226 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1cc([N+](=O)[O-])c2nsnc2c1 771504340 RZEINOGDTTYBJS-LBPRGKRZSA-N 434.861 4.063 5 20 IIBD COc1c([N+](=O)[O-])cc(N[C@H](C)C[C@H](O)c2ccccc2)c([N+](=O)[O-])c1Br 771929375 XVVDGNWIINZINN-YGRLFVJLSA-N 440.250 4.198 5 20 IIBD C[C@H](NC(=O)CC1CCCCC1)C(=O)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776131915 BHBVIOIGUWSJMG-KSFYIVLOSA-N 425.485 4.098 5 20 IIBD Cc1cc(C(=O)O[C@H]2CCN(c3ccc([N+](=O)[O-])cc3F)C2)c(C)n1Cc1ccccn1 778811841 SESULGGHQUFIIK-IBGZPJMESA-N 438.459 4.031 5 20 IIBD CC[C@H](C)[C@H](C)C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 779728814 WZYDXARMUWBYSY-MJQZAILXSA-N 439.921 4.083 5 20 IIBD C[C@H](OC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1nc(C2CC2)cs1 781187167 ZUVLYQSUVILUPB-JTQLQIEISA-N 431.499 4.126 5 20 IIBD C[C@H](OC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C(=O)N1CCc2ccccc21 781258537 ULGPHVXWABBVHY-ZDUSSCGKSA-N 448.425 4.094 5 20 IIBD Cc1nc(-c2ccc(CCNC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])s2)cs1 781594511 HNKSYYDCFRZUKD-UHFFFAOYSA-N 446.510 4.288 5 20 IIBD CC(C)C[C@@H](NC(=O)OC(C)(C)C)c1noc([C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 781611066 WQZOXGFTKHQLFI-NVXWUHKLSA-N 445.476 4.455 5 20 IIBD COc1ccc2oc([C@@H](C)NC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(C)c2c1 781632709 WODCSDREFOMJCE-CYBMUJFWSA-N 427.413 4.376 5 20 IIBD CC(C)[C@H]1C[C@H](CC(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 781790491 ONPHJXNRHBWWCA-OGHNNQOOSA-N 446.422 4.325 5 20 IIBD Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)C1 782172629 NTWBDPYBNVLNEJ-CQSZACIVSA-N 436.281 4.204 5 20 IIBD Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] 782425769 FFOWQFHDYTVAFA-UHFFFAOYSA-N 449.341 4.373 5 20 IIBD CCOCN(C(=O)COC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1c(C)cccc1CC 784435685 OYXSFBPTZSFVEN-UHFFFAOYSA-N 434.876 4.303 5 20 IIBD C[C@H](OC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C(=O)N1C[C@H](C)C[C@@H](C)C1 784838459 QYJBZOVCJUENLD-MCIONIFRSA-N 442.462 4.009 5 20 IIBD COC(=O)CCc1cccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 787331527 VIMQRNDUZKQXIA-UHFFFAOYSA-N 436.414 4.317 5 20 IIBD CC(C)(C)c1nc(CC(=O)Nc2ccc([N+](=O)[O-])c(I)c2)cs1 788108378 OULJMBNWWBTYMZ-UHFFFAOYSA-N 445.282 4.135 5 20 IIBD Cc1c(C(=O)O[C@H](C)C(=O)c2ccccc2Br)cc([N+](=O)[O-])cc1[N+](=O)[O-] 789033018 NLNIXRSAOXCTPS-SNVBAGLBSA-N 437.202 4.002 5 20 IIBD Cc1nc(SCC(=O)OCc2ncc(C)c([N+](=O)[O-])c2C)c2c(C)c(C)sc2n1 789444622 XTFVVFDNJVQFHV-UHFFFAOYSA-N 432.527 4.372 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 790208383 LMJOHRIHHBJQFZ-FUHWJXTLSA-N 425.485 4.340 5 20 IIBD COC(=O)CCSCc1cccc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c1 790554344 MERULTPSOUXEFJ-UHFFFAOYSA-N 440.880 4.365 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccccc1)c1ccccc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 791310231 GDCOOJUGJSPKNE-JOCHJYFZSA-N 442.431 4.317 5 20 IIBD CN(C)c1cc(F)c(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)cc1[N+](=O)[O-] 791354244 YILSKFDKBOQVMV-UHFFFAOYSA-N 449.442 4.279 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 791497511 FMAYFOLYAKGSHG-SKLAPFLYSA-N 439.262 4.280 5 20 IIBD COc1ccc(OC(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1[N+](=O)[O-] 792113622 MTZMYROZAPCVLX-IFXJQAMLSA-N 430.457 4.411 5 20 IIBD COC(=O)c1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2-c2cccs2)c(F)c1 795067062 GPDURWCDSYKVSE-UHFFFAOYSA-N 437.426 4.017 5 20 IIBD CCC(=O)c1ccc(Cl)c(S(=O)(=O)Oc2cc([N+](=O)[O-])ccc2Br)c1 795181299 MHVHLVAVWDJDAL-UHFFFAOYSA-N 448.678 4.371 5 20 IIBD O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)Nc1cc(Cl)ccc1F 795285933 XYYIEDDVTDEXKN-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD Cc1cc(NC(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)ccc1[N+](=O)[O-] 797639808 CFKQLUHORYJLLH-SFHVURJKSA-N 426.473 4.074 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)c2ccc(SCC(=O)N(C)C)cc2)c1 809068881 PFQGSBRROFNSIP-ZDUSSCGKSA-N 434.539 4.415 5 20 IIBD Cc1ccc(-c2nc(CNS(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)co2)cc1 809822371 JCQZEFWEXNGKQI-UHFFFAOYSA-N 442.280 4.344 5 20 IIBD CC(C)[C@H](C(=O)OCc1cc(I)cc([N+](=O)[O-])c1)c1cccnc1 811036767 DUNLGGCTBRMKKT-INIZCTEOSA-N 440.237 4.077 5 20 IIBD C[C@@H](OC(=O)[C@@H]1CCCCCC(=O)C1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 811382694 OVKHMWGKUOPYOX-UKRRQHHQSA-N 445.497 4.128 5 20 IIBD CCc1nc2ccc(Cl)cn2c1C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 812648598 KEOUODYLPBKTNR-NSHDSACASA-N 441.831 4.426 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)OCCCc2cnoc2)cc1[N+](=O)[O-] 816231684 NOYKNIKTAMJWBV-UHFFFAOYSA-N 426.450 4.325 5 20 IIBD C[C@H](OC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCCC2)cc1 856620787 TZQMPYUSPSTESE-JKSUJKDBSA-N 443.525 4.246 5 20 IIBD O=C(OCc1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 904220993 KGQDDLUWPPJTOO-NSHDSACASA-N 427.215 4.137 5 20 IIBD COc1ccc(CSCC(=O)OCc2csc(-c3ccccn3)n2)cc1[N+](=O)[O-] 914915861 DPRXOTNOBIHNRI-UHFFFAOYSA-N 431.495 4.099 5 20 IIBD O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 916408352 BEOJQDSHHOLXLZ-UHFFFAOYSA-N 442.686 4.153 5 20 IIBD COc1cc(C(=O)Oc2ccc(OCc3ccncc3)cc2)c([N+](=O)[O-])cc1OC(F)F 916850457 WTTQLBUAQMAJJA-UHFFFAOYSA-N 446.362 4.398 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1OC(=O)CCc1nc(O)c2c3c(sc2n1)C[C@@H](C)CC3 917049351 YOSKJNWLUYDQCH-NSHDSACASA-N 427.482 4.277 5 20 IIBD Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)C2)c1 917068934 DDMWFGQENJSGQV-KRWDZBQOSA-N 443.931 4.376 5 20 IIBD C[C@@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)c1ccccc1[N+](=O)[O-] 920270147 WKSIUVNMVMTDNR-HUUCEWRRSA-N 448.422 4.353 5 20 IIBD O=C(COC(=O)CCCOc1cccc(Cl)c1Cl)Nc1ccccc1[N+](=O)[O-] 921227740 WLWXIJKUPFHRKY-UHFFFAOYSA-N 427.240 4.243 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccc(Br)s1 1317701198 IGVZEPJZCJFYOC-UHFFFAOYSA-N 439.287 4.059 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccnn1Cc1ccsc1 1317773864 OHQWPTIUOROVHO-UHFFFAOYSA-N 439.419 4.361 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1 1318938489 LPOJSMVYBSCUMN-AWEZNQCLSA-N 439.501 4.071 5 20 IIBD CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 1319491272 GDUJUNFADXBXDA-UHFFFAOYSA-N 442.516 4.354 5 20 IIBD COC(=O)c1cc(-c2nnc([C@H](C)Oc3cccc(Br)c3)o2)cc([N+](=O)[O-])c1 1341410306 PWPQBKHPEUKWFP-JTQLQIEISA-N 448.229 4.334 5 20 IIBD Cc1nocc1C(=O)Nc1ccc(C2(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)CCC2)cc1 1787461818 OHATVPJKZMQVBS-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])NC1(c2ccc(NC(=O)c3ccon3)cc2)CCC1 1787543657 XHYOFYVGGKISFR-IZZDOVSWSA-N 432.436 4.044 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4occc4C)cc3)CCC2)ncc1[N+](=O)[O-] 1788692015 OAWRRBKJZKFBCC-UHFFFAOYSA-N 434.452 4.261 5 20 IIBD Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ncoc4C)CCC3)cc2)cc1[N+](=O)[O-] 1790524079 FEEHCHSSNTXLIC-UHFFFAOYSA-N 448.479 4.190 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)Nc1ccc(C2(NC(=O)c3cccn3C)CCC2)cc1 1790806342 KNYCACJJFMSUDW-UHFFFAOYSA-N 448.479 4.009 5 20 IIBD CC(C)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3cccc([N+](=O)[O-])c3)CCC1)C2 1801649807 UBNWWWZZTMSXMJ-ACDBMABISA-N 427.545 4.091 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC2(CCCN(C(=O)CCC3CCC3)C2)CC1 1805799281 YXVCJUWVLREQNP-ZRDIBKRKSA-N 439.556 4.420 5 20 IIBD CC(C)(C)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)n[nH]1 1821164513 YIHKCKHGXPEIAM-QGZVFWFLSA-N 431.468 4.199 5 20 IIBD CC(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n[nH]1 1821609985 QZBUWMUCKIRMTC-INIZCTEOSA-N 441.513 4.495 5 20 IIBD CCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)n[nH]1 1821843895 LAPITWWKIFDUMU-GOSISDBHSA-N 445.495 4.128 5 20 IIBD CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CSc2ccccc2[N+](=O)[O-])n[nH]1 1822312273 IAZVAQNNTMGNNM-HNNXBMFYSA-N 445.545 4.148 5 20 IIBD CC(C)/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1832512012 JGZHSOBJKAWTCA-VHTFYLNKSA-N 431.508 4.179 5 20 IIBD COc1cc(C(=O)OCC(=O)N(C2CCCCC2)C2CCCCC2)c([N+](=O)[O-])cc1OC 9487524 PZSRBXFDLLNOBC-UHFFFAOYSA-N 448.516 4.263 5 20 IIBD Cc1sc2ncnc(SCC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCCO4)c2c1C 11973137 PMNBEYRUROXWCU-UHFFFAOYSA-N 446.510 4.108 5 20 IIBD O=C(OCc1nc(-c2cccnc2)no1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 21441601 YUWPKRYKRWRNTI-UHFFFAOYSA-N 431.408 4.009 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2ccc(OC)c(OC)c2)cc1 46672806 CLIOTJHVIBMATH-UHFFFAOYSA-N 438.436 4.343 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)cc1[N+](=O)[O-] 60412072 MBABMMLTCLVWKP-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD C[C@H](NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccc2c(c1)CC(=O)N2 115717508 WHYSQZRYHBWXPR-GJZGRUSLSA-N 445.479 4.149 5 20 IIBD O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] 116098774 JOLPBTVQYKJGFS-MRXNPFEDSA-N 426.231 4.284 5 20 IIBD Cc1ccoc1C(=O)NCCCNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 237763660 QRPGMFZLZHTZJP-UHFFFAOYSA-N 427.432 4.337 5 20 IIBD CC(C)CCOc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c1 303422490 DAIIYOCQZFXQIE-QGZVFWFLSA-N 431.514 4.325 5 20 IIBD COc1ccc([C@@H](OC)[C@H](C)NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 426221900 FUTAJOFEAAOZDS-SGTLLEGYSA-N 441.406 4.198 5 20 IIBD COc1cccc(C[C@@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C(=O)O)c1 426809710 FQGVUJUPSWHKGC-HXUWFJFHSA-N 440.427 4.320 5 20 IIBD Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)c3cc([N+](=O)[O-])ccc3SCC(C)C)n2)c1 428364986 ULSNGRNPQQWHNG-CQSZACIVSA-N 440.529 4.322 5 20 IIBD Cc1cc2nc(-c3ccc(CNC(=O)CCn4nc(C)c([N+](=O)[O-])c4C)cc3)[nH]c2cc1C 434790183 ROVAUCUSMUQKCG-UHFFFAOYSA-N 446.511 4.275 5 20 IIBD O=C(c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)N(Cc1ccccc1F)c1ccccc1 435617171 VIVCJEMGCCTXCV-UHFFFAOYSA-N 447.422 4.234 5 20 IIBD Cc1ccc(C)c(-n2ncc(NC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)c2C)c1 437059834 RBGQTAYNYVSCDH-UHFFFAOYSA-N 449.467 4.033 5 20 IIBD CN1CCC(N(Cc2ccccc2)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 438559736 SLYXVQRKWHEFNP-UHFFFAOYSA-N 436.537 4.455 5 20 IIBD O=C(Cc1noc(/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])s2)n1)NCc1ccco1 445283136 URXFJNDCMWCGOK-CSKARUKUSA-N 436.449 4.329 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1nnc(-c2cccc(Br)c2)s1 445787600 RBEXUYUABWVYAM-UHFFFAOYSA-N 433.287 4.447 5 20 IIBD CO[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccc(Cl)cc1 446035640 MTNJXNOSMLIION-MRXNPFEDSA-N 427.682 4.057 5 20 IIBD COc1c(C)cnc(CN2CCC(N(C)C(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)c1C 446483815 DYWUCDAYNLWLRO-UHFFFAOYSA-N 441.532 4.052 5 20 IIBD CC(C)(Cc1ccc(C(F)(F)F)cc1)NC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 446893327 FASOHRZCDMESIV-UHFFFAOYSA-N 435.406 4.310 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NC[C@H](C)Oc3cccc(Cl)c3)cc2)c(C)c1[N+](=O)[O-] 460439570 ZEVPERATHFXMDV-AWEZNQCLSA-N 442.903 4.307 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC=C(c4ccccc4)C3)n2C[C@@H]2CCOC2)c1 461533080 HQCRZXZLTRNCRD-SFHVURJKSA-N 431.496 4.184 5 20 IIBD Cc1nc(C)c([C@H](C)N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCOC2)s1 461641776 SEGMVHDNOFTHKS-HOCLYGCPSA-N 442.545 4.161 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(NC(=O)[C@@H](C)n2cccn2)c1 462423243 TUVLMOSMFQLSDJ-AEFFLSMTSA-N 435.484 4.198 5 20 IIBD COc1cc(C)c(Br)cc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 462587435 CRZRVENNXCYMBR-UHFFFAOYSA-N 431.246 4.112 5 20 IIBD COc1cc(N(C)Cc2cccc(NS(=O)(=O)c3ccccc3)c2)ccc1[N+](=O)[O-] 462809147 GEKOFLGTYBRYBG-UHFFFAOYSA-N 427.482 4.041 5 20 IIBD CCC[C@@H](CCO)CNc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] 463053730 JZGMDEDRRZOSLZ-KRWDZBQOSA-N 435.546 4.223 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ccc(NC(=O)Nc2ccccc2)cc1 465052040 GSDJKUMBKJDGHE-UHFFFAOYSA-N 448.435 4.191 5 20 IIBD Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 466542398 QPHKWPPDMNVNNT-HXUWFJFHSA-N 425.485 4.063 5 20 IIBD NC(=O)C[C@H]1CCCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 467754680 PHULEBQICDEWJU-CYBMUJFWSA-N 433.917 4.127 5 20 IIBD COC(=O)c1cc(NC(=O)Cc2nc(-c3ccc(F)cc3)cs2)c(C)c([N+](=O)[O-])c1 468129964 DLWHFJFEEFYDMN-UHFFFAOYSA-N 429.429 4.134 5 20 IIBD CCOc1ccc(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c(C(F)(F)F)c1 470346049 PQNMHLOKURDLLC-UHFFFAOYSA-N 425.363 4.307 5 20 IIBD COc1ccc(CNC(=O)Cc2csc3ccc(Br)cc23)cc1[N+](=O)[O-] 470841512 PETKDNQGYGSLCF-UHFFFAOYSA-N 435.299 4.440 5 20 IIBD CCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 470881048 BBHCDRCBRBVJPD-KRWDZBQOSA-N 435.480 4.042 5 20 IIBD CN(C)S(=O)(=O)c1cccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1 474936615 NOYKSNWHQFBTJA-UHFFFAOYSA-N 435.889 4.371 5 20 IIBD COC(=O)COc1ccc(CNc2cccc(-c3ccc4c(c3)CCO4)c2)cc1[N+](=O)[O-] 475092626 MBLGFEWUAAILOI-UHFFFAOYSA-N 434.448 4.361 5 20 IIBD Cc1ccc([C@H](C)NC(=O)c2cccc(-c3cnc4nc(O)n(C)c4c3)c2)cc1[N+](=O)[O-] 475242767 TUOMFFRTFOULNT-AWEZNQCLSA-N 431.452 4.049 5 20 IIBD O=[N+]([O-])c1cccc2ncnc(N3CCO[C@@H](c4ccc(F)c(Br)c4)C3)c12 475732554 YJSLNPWUFLXUCU-MRXNPFEDSA-N 433.237 4.018 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 477083517 CDSYPAVNABFJNP-CYBMUJFWSA-N 425.411 4.375 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@H](C)c2c(F)cccc2Cl)ccc1[N+](=O)[O-] 477281826 WKQGXAFXMCYMBS-FZKQIMNGSA-N 433.867 4.178 5 20 IIBD O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 479246571 FCCXJZRVBGVJDH-SFHVURJKSA-N 448.248 4.191 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 482358062 CPGLKIWKRUKZJU-HNNXBMFYSA-N 433.892 4.370 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(OCc2ccccc2C)c1 483161948 DURYAFLMYHOJHA-UHFFFAOYSA-N 428.466 4.292 5 20 IIBD Cn1cc(C(=O)N2CCN(C3CC3)c3ccc(Cl)cc32)c(-c2ccc([N+](=O)[O-])cc2)n1 484345417 XGVPTKBAFRQJAF-UHFFFAOYSA-N 437.887 4.278 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1cn(C(C)(C)C)nn1 485630477 HKPBIRMCVAIFCC-UHFFFAOYSA-N 443.485 4.099 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)[C@H](C)c1ccc(N2CCCS2(=O)=O)cc1 485837826 CKWHZEJZXGOFFZ-QGZVFWFLSA-N 447.557 4.115 5 20 IIBD COc1ccc(CSCC(=O)Nc2cc(C)nn2-c2ccccc2C)cc1[N+](=O)[O-] 486328292 QRWQMVLEMUHVES-UHFFFAOYSA-N 426.498 4.278 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@@H]2CCOC3(CCC3)C2)c([N+](=O)[O-])c1 486891633 DCAAXOVFIJFFMP-QGZVFWFLSA-N 445.541 4.324 5 20 IIBD COc1ccc(C(=O)CCC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1F 487011731 AEBFWSOPLCXDPG-UHFFFAOYSA-N 428.338 4.041 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(c2ccc(F)cc2C)C1 489228986 YPXLFYFXLLKFKU-QGZVFWFLSA-N 447.532 4.180 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C 490132846 MFLCAESJPFSFOK-CXAGYDPISA-N 444.431 4.073 5 20 IIBD O=C(Nc1nc2ccc(I)cc2s1)c1ccc([N+](=O)[O-])cc1F 491009293 XTDBPLVWQHLOMS-UHFFFAOYSA-N 443.197 4.201 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NCc1ccccc1Br 495160426 SWGMDJVRTWFRAH-UHFFFAOYSA-N 432.196 4.376 5 20 IIBD COc1ccc([C@H](C)NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1Br 496151445 NMYQIZSTXITAOA-LBPRGKRZSA-N 432.274 4.198 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CCC[C@@](C)(c3ccccc3)C2)ccc1[N+](=O)[O-] 499872003 ITXMNOABGJECEG-WIOPSUGQSA-N 435.524 4.088 5 20 IIBD CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]2CCCC[C@@H]21 501055272 ATGFOZAWUBTGGM-RFBJODPTSA-N 444.576 4.107 5 20 IIBD Cc1nnc(SCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1Cc1ccccc1 501997522 LDPPBWZSEYDRCO-UHFFFAOYSA-N 439.541 4.072 5 20 IIBD COC1(CNC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)CCC(c2ccccc2)CC1 503537504 QQJRZZWXRCDJJO-UHFFFAOYSA-N 437.500 4.013 5 20 IIBD CC[C@H](CSc1ccccc1[N+](=O)[O-])NC1CCN(C(=O)c2ccccc2F)CC1 504921133 RDYGBQNLJNULGB-MRXNPFEDSA-N 431.533 4.499 5 20 IIBD CC(C)(C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1ccccc1[N+](=O)[O-] 505971147 MYWFPQLYWSFVFW-OAHLLOKOSA-N 436.295 4.101 5 20 IIBD CCCN1CC[C@@H](CNc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])C1 506994923 LWNKXRYSLFGPAX-SFHVURJKSA-N 446.573 4.156 5 20 IIBD Cc1ccccc1[C@H]([C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)N(C)C 510544862 JPJQYLYKQYRTNX-XOBRGWDASA-N 434.334 4.016 5 20 IIBD O=[N+]([O-])c1cc(F)c(CN2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)c(F)c1 510756229 ZFOWYEYATWCZON-IVZQSRNASA-N 426.423 4.477 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2ccccc2NC2CCN(C)CC2)cc1[N+](=O)[O-] 511513702 PXZHHOVFRSLKBB-UHFFFAOYSA-N 447.333 4.424 5 20 IIBD COc1cc(CN2CC[C@H](Nc3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F 512604014 BZNOZMXLNMYGQZ-INIZCTEOSA-N 425.407 4.231 5 20 IIBD COc1cc(C)ccc1Oc1ccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cn1 515636032 YZQJKMXHEOOGKL-UHFFFAOYSA-N 429.454 4.208 5 20 IIBD Cc1cc(C(=O)Nc2cccc(NS(=O)(=O)Cc3ccccc3)c2)ccc1[N+](=O)[O-] 517409478 AYJYRRLUUZYLFN-UHFFFAOYSA-N 425.466 4.097 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 517599726 IZXJPVRBTREBGL-UHFFFAOYSA-N 444.831 4.294 5 20 IIBD CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 517603969 SHCIOHLCDFWTRR-UHFFFAOYSA-N 432.440 4.007 5 20 IIBD Cc1ccc2nc(COc3ccccc3C(=O)N(C)Cc3ccccc3[N+](=O)[O-])cn2c1 518739168 RFEQYKIBRQZSGM-UHFFFAOYSA-N 430.464 4.402 5 20 IIBD COc1ccc(S(=O)(=O)N(Cc2c(F)cccc2F)C2CCCC2)c([N+](=O)[O-])c1 519150932 USBCFFGSNBJGKQ-UHFFFAOYSA-N 426.441 4.015 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC(N4CCCCC4)CC3)cc2[N+](=O)[O-])C1 519900824 AEBWOMSLIGAWMA-OALUTQOASA-N 428.577 4.168 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1cccc(CCN2CCC(C)CC2)c1 520262826 UKFAEWPBSFLCMF-SFHVURJKSA-N 440.544 4.317 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1N1CCOCC1 521275446 FZFTVQIGQUIZPT-LBPRGKRZSA-N 440.283 4.144 5 20 IIBD C[C@H]1CCCN(Cc2csc(NC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])n2)C1 522651780 KBVOJQBGVWVJCG-ZDUSSCGKSA-N 438.937 4.344 5 20 IIBD CC1CCN(c2ccc(C(=O)NCCCc3nc4ccccc4n3C)cc2[N+](=O)[O-])CC1 524574453 PNGXZGOTFTZZBJ-UHFFFAOYSA-N 435.528 4.080 5 20 IIBD Cc1ccc(-n2ncc(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)c2C2CC2)cc1Cl 524691178 OAMOKYPUWJZKNJ-UHFFFAOYSA-N 440.887 4.429 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cc(C(C)C)nn2-c2ccc(C)cc2)cc1[N+](=O)[O-] 524810510 SYZZVJLFVVPKFP-UHFFFAOYSA-N 430.486 4.022 5 20 IIBD CC(C)(O)COc1ccc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 531012556 HKNABFRFEYXJRR-UHFFFAOYSA-N 441.406 4.204 5 20 IIBD O=C1c2ccccc2N[C@@H](c2ccc(Br)cc2[N+](=O)[O-])N1C[C@@H]1CCCO1 532263609 KCKDISODWRLGAI-SCLBCKFNSA-N 432.274 4.103 5 20 IIBD C[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(OCc2cccnc2)cc1 537024516 NMMJRLBJOGTZBX-SBUREZEXSA-N 432.480 4.025 5 20 IIBD COc1c(Br)cc(Cl)cc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 537603295 OIKWKFYAJFFYMW-UHFFFAOYSA-N 429.610 4.000 5 20 IIBD CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)cc1[N+](=O)[O-] 538594632 FNOLSNRUWWAPPY-JWTNVVGKSA-N 427.888 4.156 5 20 IIBD CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1 542032259 KNJQDRUJYJKHQY-GOSISDBHSA-N 434.443 4.182 5 20 IIBD C[C@@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(OCc2ccc(F)cc2)cc1 544723159 MAOCWHINRPDVBP-MRXNPFEDSA-N 444.484 4.494 5 20 IIBD COc1cc(-c2nc(Cc3coc(-c4ccc(F)cc4)n3)no2)cc([N+](=O)[O-])c1OC 545598929 YRNABOWDJXDVJL-UHFFFAOYSA-N 426.360 4.047 5 20 IIBD CC(C)OC[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CCO1 546735654 BSXHRQXNIWYIGF-INIZCTEOSA-N 439.306 4.243 5 20 IIBD O=[N+]([O-])c1ccc(C(F)(F)F)c(-c2nc(-c3cnc(OCC(F)(F)F)cn3)no2)c1 551064737 GUQGRKYINUMTPT-UHFFFAOYSA-N 435.240 4.062 5 20 IIBD CC(C)CC[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 551417322 ZSMQPGLSBNXUIZ-MLGOLLRUSA-N 426.311 4.017 5 20 IIBD COCC[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)c(Cl)c1 556512101 GEEJRDSAXXPSQE-GOSISDBHSA-N 438.311 4.158 5 20 IIBD COc1ccc(CSCC(=O)N[C@H](C)c2ccc(OC)c(OC)c2C)cc1[N+](=O)[O-] 557984567 ULIIIYQQGCABPZ-CQSZACIVSA-N 434.514 4.040 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(-c2nc(-c3cccc(C(=O)NCc4ccco4)c3)no2)c1 558298688 QKNXRIBXLXVTFJ-UHFFFAOYSA-N 434.408 4.234 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CN[C@H]2COc3ccc(Cl)cc32)c1 558484351 AWCMWYRCLXZQFX-AWEZNQCLSA-N 430.629 4.076 5 20 IIBD CC(C)(NC(=O)c1ccc(F)cc1I)c1ccccc1[N+](=O)[O-] 561698939 LBOKWHLSBQOABI-UHFFFAOYSA-N 428.201 4.004 5 20 IIBD CC[C@H](c1cccc(OC)c1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 565853150 BHTXUIOSQCGSAZ-MRXNPFEDSA-N 443.319 4.138 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CC(C)(C)[C@@H]2c2cccs2)cc1[N+](=O)[O-] 568442120 WEDVJOCMGYGKGO-INIZCTEOSA-N 429.527 4.159 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(CC(=O)Nc2ccccc2F)no1 569409528 FRIGUYGYSQPGIW-UHFFFAOYSA-N 435.209 4.036 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2c2nc(Cc3nccc4ccccc34)no2)ccc1[N+](=O)[O-] 571923156 MFRBBYQCMRWOSA-NRFANRHFSA-N 443.463 4.403 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 574088369 XKQWRHZGBIHNFC-VQTJNVASSA-N 432.908 4.004 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H]1c1ccc(Br)cn1 574938079 JIDREWFHVQAFTQ-GOSISDBHSA-N 429.274 4.140 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCCc2cnc(SC3CCCC3)nc2)cc1SC 580959887 XMJPBCDLQVTTSQ-UHFFFAOYSA-N 448.570 4.123 5 20 IIBD C[C@@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1nccn1-c1ccccc1 582259383 LDFBNSWOUAGOJK-QGZVFWFLSA-N 435.484 4.095 5 20 IIBD COc1cccc(C2(c3nc(Cc4ccc([N+](=O)[O-])cc4Br)no3)CC2)c1 589133553 AHFGYCRDKMPLJQ-UHFFFAOYSA-N 430.258 4.420 5 20 IIBD CCOC(=O)c1n[nH]c(-c2cccc(CNCc3ccc(-c4cccc([N+](=O)[O-])c4)o3)c2)n1 589201848 HGWSVNANHAKBCU-UHFFFAOYSA-N 447.451 4.106 5 20 IIBD COc1ccc(CSCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1[N+](=O)[O-] 603565959 ITLQBEKUTMNPGI-UHFFFAOYSA-N 426.498 4.278 5 20 IIBD Cc1oncc1C(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 603935347 PPVNAKFPDYVDHF-CYBMUJFWSA-N 426.454 4.263 5 20 IIBD CCOC(=O)c1c(NC(=O)CNc2cc([N+](=O)[O-])ccc2OC(F)F)sc(C)c1C 604006175 NLFDFMASNLRHNS-UHFFFAOYSA-N 443.428 4.102 5 20 IIBD O=C(Nc1ccc(CCN2CCCCC2)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 604028378 ZNFZRADAHKGTFG-UHFFFAOYSA-N 436.556 4.478 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccccc1SCC(F)(F)F)c1cccc([N+](=O)[O-])c1 604222460 MGBBTWDFAFOBQR-LLVKDONJSA-N 427.404 4.065 5 20 IIBD O=C(Nc1ccnn1[C@H]1CCCc2ccccc21)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 604567501 JNXOTCHZUXVGNR-NRFANRHFSA-N 428.452 4.155 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCN(c3cc(Cl)ccc3C)C2)cc1OC 608818812 GJVKRZSYIKEHPW-OAHLLOKOSA-N 447.919 4.220 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1cccc(CCCc2ccccc2)c1 608865269 JXNXJRRKHSFBDH-UHFFFAOYSA-N 431.492 4.367 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Oc3ccccc3)nc2)no1 609475337 MRQFUINJFGBTJU-CQSZACIVSA-N 431.408 4.323 5 20 IIBD CC1(C)CN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCO1 609763150 JDMNKUIHTUMMTE-UHFFFAOYSA-N 431.876 4.142 5 20 IIBD CCSc1nnc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)s1 609852522 GXZCYUZAZOLMOK-UHFFFAOYSA-N 445.313 4.303 5 20 IIBD CSCCCN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 609901800 XUQUIJSTLHBBBZ-QGZVFWFLSA-N 438.347 4.380 5 20 IIBD CC[C@@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)c1ccc(F)cc1F 609965296 XSAKZHZGLXKYPU-QGZVFWFLSA-N 425.457 4.221 5 20 IIBD CCCN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc([N+](=O)[O-])cc1Br 610036002 JSKFPUSEVSWMGF-AWEZNQCLSA-N 435.274 4.050 5 20 IIBD CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 610100796 RPAPTBMBVFDPKZ-QHCPKHFHSA-N 444.576 4.130 5 20 IIBD Cc1ccc([C@H](Nc2ncnc3ccc([N+](=O)[O-])cc23)c2cccc(S(C)(=O)=O)c2)cc1 611708836 RFNNYOBEICDPEA-QFIPXVFZSA-N 448.504 4.451 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(CCCn3cnc4ccccc43)n2)c(Br)c1 612955948 MZRTYMCBGCOQQX-UHFFFAOYSA-N 442.273 4.314 5 20 IIBD CC(=O)Nc1sc(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)nc1-c1ccccc1 614051144 NNBWTZPEFFRSNB-UHFFFAOYSA-N 426.454 4.060 5 20 IIBD COC[C@H](NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 619818293 XNEOUBUHDUYZFG-SFHVURJKSA-N 425.407 4.185 5 20 IIBD CCN(CC)C[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2ccccc2)C1 619824352 HFROYXVOTQFANK-OAQYLSRUSA-N 448.571 4.264 5 20 IIBD O=C(COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])Nc1cccc(Oc2ccccc2)c1 725936677 GOXBJVPUECFDTK-UHFFFAOYSA-N 428.347 4.461 5 20 IIBD O=C(COC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(Oc2ccccc2)cc1 726362676 FTMSXSQQPIRQKN-UHFFFAOYSA-N 432.392 4.059 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(CNC(=O)OC(C)(C)C)c2)cc1OC 727868735 MYHZNNCESSZOTE-UHFFFAOYSA-N 445.472 4.279 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@H](C(=O)N2C[C@@H](C)C[C@H](C)C2)C(C)C)cc1SC 728649201 GDISSHVGCFOZHZ-NJSLBKSFSA-N 438.546 4.011 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)[C@@H]1CCCCN1C(=O)c1cccs1 729117869 QCKALHGJJKUJIN-KRWDZBQOSA-N 432.498 4.182 5 20 IIBD Cn1ccnc1Sc1ccc(Cl)cc1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 731147233 LNPOGVFUDZQTIG-UHFFFAOYSA-N 442.881 4.073 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CCCc3cccc(Cl)c32)c1 731178832 SLGJNTACLXNUID-UHFFFAOYSA-N 431.695 4.152 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCc3c(Cl)ccc(F)c32)cc1Br 731467244 NQOQDGKJCLFMRO-UHFFFAOYSA-N 449.685 4.291 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 731830535 DPKYPKFOGZJYRQ-NRFANRHFSA-N 440.887 4.020 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccc(Cl)c1 734390359 DJXSPSWEDVEULC-LPHOPBHVSA-N 436.295 4.080 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1cccc2ccccc12 735355154 OBIOCBKIKLZDHH-CQSZACIVSA-N 445.431 4.036 5 20 IIBD CN(C)CC1CCN(c2ccc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)cc2)CC1 737686660 YIRMWUYDJQRUGW-UHFFFAOYSA-N 437.544 4.199 5 20 IIBD C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 738769997 BEWHCBCKOFDYEQ-LBPRGKRZSA-N 425.359 4.402 5 20 IIBD COc1cc(N2CCC(OC(=O)C3(c4ccc(F)cc4)CCC3)CC2)ccc1[N+](=O)[O-] 739381100 QYXGEXZTRPVTPB-UHFFFAOYSA-N 428.460 4.376 5 20 IIBD O=C(NC[C@H](O)c1c(Cl)cccc1Cl)Nc1cc([N+](=O)[O-])ccc1OC(F)F 741061858 IJRUMIZJTRIYFA-LBPRGKRZSA-N 436.198 4.358 5 20 IIBD CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)NCCc3ccccc3[N+](=O)[O-])cc2C1 743156586 QODOXCKZEJJLJE-UHFFFAOYSA-N 440.500 4.252 5 20 IIBD O=C(NC1CCN(CC2CCCCC2)CC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 743566421 GHNOGTSBZPSEIU-UHFFFAOYSA-N 444.576 4.192 5 20 IIBD Cn1cc(CC(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 743861880 SPDPADWQGQAZML-HXUWFJFHSA-N 449.507 4.257 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1OC(=O)[C@@H]1CCCO1 744372342 WYFZZWGCHLKBFD-INIZCTEOSA-N 425.224 4.238 5 20 IIBD CC(C)CCc1nc(COC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cs1 744469082 URQHANJUPMSOPM-UHFFFAOYSA-N 447.542 4.277 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 746265160 QQLYDIRHLPRKJX-IEBWSBKVSA-N 436.867 4.271 5 20 IIBD C[C@H](c1ccc(F)cc1)N(C)C(=O)COC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 747123191 DMOLHGQBMQSRMT-LLVKDONJSA-N 428.338 4.129 5 20 IIBD CCOC(=O)c1c(C2CC2)csc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 748606878 RMCVZFIEMGZSNQ-UHFFFAOYSA-N 433.442 4.488 5 20 IIBD CN(CCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)Cc1ccccc1 749410838 OVWSUNCCIWVSGN-UHFFFAOYSA-N 440.725 4.263 5 20 IIBD COc1cc2c(cc1OC)[C@H](c1cccs1)N(C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 749638798 JVQJIYBEPCTXRF-AUSIDOKSSA-N 440.521 4.355 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC(OC[C@H]3CCCCO3)CC2)CC1 750140647 ITBJRRAJJFYVPQ-OAQYLSRUSA-N 445.560 4.021 5 20 IIBD CC(C)N(C(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1 750827168 WQOLXLFWCAUQQK-UHFFFAOYSA-N 448.317 4.249 5 20 IIBD CSc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(Br)cc1[N+](=O)[O-] 750965868 PZOLMKCGGCLJKH-SNVBAGLBSA-N 439.287 4.263 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 751269548 CKLZQTFEDHIFRO-CYBMUJFWSA-N 447.296 4.260 5 20 IIBD COc1ccc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC1CCCC1 751962925 TYCMQZFSNGZFFZ-UHFFFAOYSA-N 448.859 4.374 5 20 IIBD COc1c([N+](=O)[O-])cc(NC[C@H](C)c2nc(C)cs2)c([N+](=O)[O-])c1Br 754081861 MDRSJZXKMMVGTK-ZETCQYMHSA-N 431.268 4.255 5 20 IIBD C[C@@H](OC(=O)c1cnc(Cc2ccccc2)s1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 756534448 KVNHVXRQGODVLN-GFCCVEGCSA-N 445.884 4.480 5 20 IIBD Cc1ccc(-c2csc(NC(=O)C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)n2)cc1C 757270659 FDTSPQTUOCVQMM-UHFFFAOYSA-N 444.900 4.243 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1cncc(F)c1 759423707 VNKVARODELSNOX-SFHVURJKSA-N 429.791 4.319 5 20 IIBD CC(=O)Nc1ccc(S[C@@H](C)C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 760505840 VEMMYPKNRWOLOS-ZDUSSCGKSA-N 441.465 4.432 5 20 IIBD CC(C)N(C(=O)COC(=O)c1ccc([N+](=O)[O-])n1C)c1ccc(Nc2ccccc2)cc1 761059868 CBVBJZKFRHREON-UHFFFAOYSA-N 436.468 4.275 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])c2nsnc2c1)C(=O)Nc1ccccc1-c1ccccc1 762973019 ACSWZIQZOOECOK-ZDUSSCGKSA-N 448.460 4.451 5 20 IIBD Cc1sc2nc([C@H](C)OC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)nc(O)c2c1C 763869128 DPSKQWGSEOVPIN-NSHDSACASA-N 439.453 4.026 5 20 IIBD C[C@H](c1cc(F)ccc1F)N(C)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 765165762 AFMVCDCOFSHOIY-SECBINFHSA-N 435.246 4.017 5 20 IIBD COC(=O)c1coc([C@@H](C)OC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 766981315 BLCLXVQHLPVWMR-UONOGXRCSA-N 439.424 4.461 5 20 IIBD O=C(COC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 767474997 YZKCVHVIBAQKDW-TYGXQLQZSA-N 444.381 4.404 5 20 IIBD Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1CNCCn1cc([N+](=O)[O-])cn1 769421844 DFJYMVGRTWZXHB-UHFFFAOYSA-N 443.722 4.095 5 20 IIBD O=[N+]([O-])c1cc(NS(=O)(=O)c2c(Cl)cccc2Cl)ccc1Br 769635807 JZDGLRCODCDMSH-UHFFFAOYSA-N 426.075 4.465 5 20 IIBD O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C(=O)c1cc(F)c([N+](=O)[O-])cc1F 770067549 CIKAMWVDLHLPDJ-OAHLLOKOSA-N 444.221 4.423 5 20 IIBD CSc1cccc(C)c1NC(=O)c1ccc(I)c([N+](=O)[O-])c1 770193125 LEKHFEJBDLNFIX-UHFFFAOYSA-N 428.251 4.482 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 770480975 MTTNLWHBTSKCHV-UHFFFAOYSA-N 448.395 4.493 5 20 IIBD CCc1nc2ccccc2n1C1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)CC1 772481915 SADNLBOXLSOTAR-UHFFFAOYSA-N 437.456 4.201 5 20 IIBD Cc1csc(CCC(=O)O[C@@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])n1 774204461 ZXKTXIKNLSACNW-INIZCTEOSA-N 427.320 4.486 5 20 IIBD O=[N+]([O-])c1cccc(Br)c1OC[C@H](O)c1ccc(F)c(Br)c1 774643883 FSNLJIVXVCBXOA-ZDUSSCGKSA-N 435.043 4.371 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc2c1N(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)CC2 775295060 ANJCEISRGZOXKR-UHFFFAOYSA-N 428.401 4.053 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2c(cccc2N2CCOC2=O)C1 775537525 DVSYUVGIRYOEMR-UHFFFAOYSA-N 441.509 4.250 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1CCCN(C(=O)OCC)C1 776997748 CGBMTXBGYOPXEZ-CVEARBPZSA-N 437.562 4.474 5 20 IIBD CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 777831276 DEJKEYJIEVBATG-UHFFFAOYSA-N 440.500 4.472 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(CNC(=O)OC(C)(C)C)cc2)cc1OC 777833033 SXNRVTJFPMGUDS-UHFFFAOYSA-N 445.472 4.279 5 20 IIBD COc1ccc(CNC(=O)c2cccc3c2CCCN3C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 778545276 PLTKGPHLCDUSMF-UHFFFAOYSA-N 441.484 4.221 5 20 IIBD COc1cc(COC(=O)[C@H](c2cccc(Cl)c2)N(C)C)c([N+](=O)[O-])cc1OC(F)F 780103314 DHQZDTKBSGYMAZ-KRWDZBQOSA-N 444.818 4.204 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)Nc2csc3ccccc23)cc1[N+](=O)[O-] 784864605 VXODOUDHZSCQJX-UHFFFAOYSA-N 434.271 4.458 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 786411550 HANUQQCABQAIIZ-UHFFFAOYSA-N 434.246 4.379 5 20 IIBD COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Oc1c(Cl)cccc1[N+](=O)[O-] 786860691 HDGJBLGWSZXANJ-JTQLQIEISA-N 436.269 4.083 5 20 IIBD Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl 786860965 GBFGFCXVTAQQNC-KRWDZBQOSA-N 437.283 4.117 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cc2ccccc2n1CC(F)(F)F 787188863 JWRACJLVMKGDIE-UHFFFAOYSA-N 436.342 4.335 5 20 IIBD O=[N+]([O-])c1cc(NS(=O)(=O)c2c(Cl)ccc(F)c2F)ccc1Br 790068653 QHKTWXMBFWIMQJ-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD Cc1c(CNC(=O)CCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)cccc1[N+](=O)[O-] 791016520 RWLCYZIIKWWRGC-UHFFFAOYSA-N 438.528 4.175 5 20 IIBD Cc1c(CNC(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)cccc1[N+](=O)[O-] 792312400 GHIRROMHBWTCIZ-UHFFFAOYSA-N 429.832 4.126 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)OCc1cncc(F)c1 795400665 GWBMICKEBBOAKP-UHFFFAOYSA-N 432.411 4.268 5 20 IIBD Cc1nc(SC(F)F)sc1CC(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 795935939 BPTPEKYRIONYQN-JTQLQIEISA-N 445.469 4.096 5 20 IIBD O=C(O[C@@H]1CCO[C@@H]([C@@H]2CCOC2)C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 799625163 NSKPPJPFRBQRKC-GPMSIDNRSA-N 429.494 4.487 5 20 IIBD CC(C)(C)OC(=O)N1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@H](c2ccncc2)C1 800541362 XXYJYAIGMAGXQR-IBGZPJMESA-N 432.908 4.437 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1 801953084 ITAIISLCQHXEJN-INIZCTEOSA-N 426.217 4.099 5 20 IIBD C[C@@H](Nc1ccc(C(=O)OCCCC(=O)N2CCCCC2)cc1[N+](=O)[O-])c1ccccn1 805422729 IOSRMYODOPSWFP-QGZVFWFLSA-N 440.500 4.112 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CC[C@](CO)(Cc2ccc(F)cc2)C1 808159132 MWANGOCOPJITIY-SFHVURJKSA-N 443.353 4.092 5 20 IIBD CN(Cc1ccccc1N1CCCC1)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl 809388740 CNZMWUVLQDUNJE-UHFFFAOYSA-N 444.340 4.323 5 20 IIBD Cc1nccc(CCC(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)n1 814386494 NPNVFXZSESUBIR-UHFFFAOYSA-N 440.843 4.137 5 20 IIBD C[C@@H](Cc1cnc2ccccc2n1)C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 815461526 AAOQHNGCVAQQFC-KBPBESRZSA-N 433.424 4.071 5 20 IIBD COc1ccc(CSCC(=O)OCc2nc(-c3ccc(Cl)cc3)no2)cc1[N+](=O)[O-] 914799958 GXSNMUOGPCYMLM-UHFFFAOYSA-N 449.872 4.283 5 20 IIBD Cc1ccc(Oc2ccccc2NC(=O)COC(=O)COc2cccc([N+](=O)[O-])c2)cc1 914909378 NTUXKMABADWGRZ-UHFFFAOYSA-N 436.420 4.256 5 20 IIBD C[C@H](OC(=O)CCOc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)ccc1Cl 915450579 JFKQVQSFMIRUIC-NSHDSACASA-N 427.240 4.241 5 20 IIBD CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c12 915593862 LLEQHMWPKLQPLA-UHFFFAOYSA-N 435.484 4.094 5 20 IIBD COc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)cc1Br 917016058 HAMKUALZIPMNGC-LLVKDONJSA-N 434.290 4.431 5 20 IIBD COc1ccc(COC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)cc1[N+](=O)[O-] 917272871 AWQCCJNQJMVWLM-UHFFFAOYSA-N 429.860 4.345 5 20 IIBD CC(=O)c1ccc(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)s1 918637910 OCJMJWQIWCLXPF-MRXNPFEDSA-N 430.482 4.101 5 20 IIBD CCNC(=O)c1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 920814469 FSONHRBTNWIGCM-SNVBAGLBSA-N 426.256 4.057 5 20 IIBD C[C@@H](OC1CCCCC1)C(=O)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 1318548426 XZEIENSESLNNSS-IEBWSBKVSA-N 432.517 4.261 5 20 IIBD CN(Cc1nc([C@@H](NC(=O)OC(C)(C)C)c2ccccc2)no1)c1ccccc1[N+](=O)[O-] 1318771617 WKCGLVLAOJGQGM-IBGZPJMESA-N 439.472 4.228 5 20 IIBD C[C@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)N1Cc2ccc([N+](=O)[O-])cc2C1 1319327853 CQCSAGKLMICTIY-LLVKDONJSA-N 430.436 4.339 5 20 IIBD O=c1c2ccccc2c(-c2ccc(F)c(F)c2)nn1CN1CCc2ccc([N+](=O)[O-])cc2C1 1323738061 DLUIKJWOKZFJMY-UHFFFAOYSA-N 448.429 4.266 5 20 IIBD CN(C)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])[nH]4)cc3)CCC2)c1 1790187248 MHZOIARXQJLGFL-UHFFFAOYSA-N 447.495 4.050 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccccc4)cc3)CCC2)ncc1[N+](=O)[O-] 1790210751 NGFLEUDPJOUMCF-UHFFFAOYSA-N 430.464 4.360 5 20 IIBD Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2cccc([N+](=O)[O-])c2)c1Cl 1792481306 WZBBHFRGJGFVHS-BCDXTJNWSA-N 441.915 4.051 5 20 IIBD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2Cl)CC1 1829895474 YLTBJJBAKCAFIK-IBGZPJMESA-N 444.919 4.123 5 20 IIBD Cc1c(C(=O)N2CCCC23CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C3)oc2ccccc12 1843685354 QXGFIONELZLEBS-UHFFFAOYSA-N 447.491 4.099 5 20 IIBD C[C@H](OC(=O)c1cccc(Br)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 3377446 WWKCNMUINCLJGG-VIFPVBQESA-N 427.638 4.195 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCc2ccccc2[N+](=O)[O-])c1 10155492 RUECSFBDHSTNDH-UHFFFAOYSA-N 440.477 4.167 5 20 IIBD COc1cc(CN(C)[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1OC(F)F 15444320 HUURRICQWBAECH-GFCCVEGCSA-N 434.399 4.448 5 20 IIBD CNc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1[N+](=O)[O-] 16992367 HLSOJJOYTUNTGU-VIFPVBQESA-N 445.781 4.493 5 20 IIBD O=C(CCSc1nnc(Cc2cccs2)n1C1CC1)Nc1ccc([N+](=O)[O-])cc1 26411007 BEPPHEMIZLFNON-UHFFFAOYSA-N 429.527 4.294 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)Nc1cccnc1Cl 28606641 HDUYAKJZYNHKDF-UHFFFAOYSA-N 440.843 4.051 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H](CN1CCCC1)c1ccccc1 29179346 NBBOLSKKKBNNDN-HSZRJFAPSA-N 425.532 4.108 5 20 IIBD COc1cc(CN(C)c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])ccc1OCc1ccccc1 30633352 JOONBROQQZQFPI-UHFFFAOYSA-N 446.463 4.055 5 20 IIBD COc1cc(C(=O)N(C)Cc2ccccc2Br)c([N+](=O)[O-])cc1OC(F)F 30896254 OIPPNGAVGZUAJV-UHFFFAOYSA-N 445.216 4.240 5 20 IIBD C[C@H]1C[C@@H](C)CN(CCCCNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 61576892 QDFAAWOGTOOCJA-GASCZTMLSA-N 431.455 4.024 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC(C)(C)c3ccccc32)cc1OC 63620862 HTRUTNORYCITKT-GOSISDBHSA-N 428.485 4.171 5 20 IIBD CNC(=O)c1ccc(Sc2nnc(-c3ccco3)n2Cc2ccccc2)c([N+](=O)[O-])c1 64905375 ITINEIHHMBREKO-UHFFFAOYSA-N 435.465 4.005 5 20 IIBD NS(=O)(=O)c1cccc(N[C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)c1[N+](=O)[O-] 302156478 MWNNXKKMWVGBBA-GXTWGEPZSA-N 429.420 4.009 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CSc3nnc(COc4ccc(Cl)cc4)[nH]3)n2)cc1 302942043 LLQSNKSCSMHUQO-UHFFFAOYSA-N 444.860 4.288 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC([C@H](O)c2ccc(F)cc2)CC1 303356203 GFKIEJSLTGSGOO-AREMUKBSSA-N 444.506 4.266 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCc2ccc(-c3ccccc3)cc21 427415861 RFMWJEPHWINDCG-HXUWFJFHSA-N 431.448 4.013 5 20 IIBD CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCc1coc(-c2ccccc2)n1 428280908 IDUCIKZMTRWLML-UHFFFAOYSA-N 434.408 4.191 5 20 IIBD COc1cc(CN[C@@H](C)[C@H]2OCCc3sccc32)c([N+](=O)[O-])cc1OCC(F)F 429121527 GXBWTCOTNLMBSN-JEOXALJRSA-N 428.457 4.101 5 20 IIBD CCN([C@H](c1cccnc1)c1ccc(F)c(C)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 431920755 FWJANGKVQUKIBQ-NRFANRHFSA-N 429.473 4.238 5 20 IIBD Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 438961373 DGLYTNOCTOEALQ-UHFFFAOYSA-N 433.530 4.308 5 20 IIBD CSC1(CN[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCOCC1 439639975 LDUNWTRJTFLJRO-IBGZPJMESA-N 449.960 4.430 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 439868233 DPPKFIQIOZVJPE-UHFFFAOYSA-N 440.287 4.049 5 20 IIBD CCOC(=O)c1cc(C(=O)N(Cc2ncc[nH]2)c2cc(C)ccc2Cl)cc([N+](=O)[O-])c1 440894332 KGMCWRNBCZIILS-UHFFFAOYSA-N 442.859 4.303 5 20 IIBD O=C(N[C@@H]1CCOC2(CCOCC2)C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 441054920 WFNAASNHHPYEGT-MRXNPFEDSA-N 428.510 4.204 5 20 IIBD CCOc1ccc(NC(=O)CN[C@H](C)c2ccc(Br)s2)c([N+](=O)[O-])c1 443316082 FPMRLFORTZOFCK-SNVBAGLBSA-N 428.308 4.107 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1cc(C(F)(F)F)ccc1Br 444638596 WISPIGHTNHPHBM-UHFFFAOYSA-N 443.179 4.182 5 20 IIBD CCCC(=O)N1CCC(C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])CC1 446426693 TXHGUDZIGAFFDW-UHFFFAOYSA-N 425.485 4.151 5 20 IIBD Cn1c(SCc2nc(Cc3cccc(F)c3)no2)nc2cc3ccccc3cc2c1=O 447308676 GXTZGMZNIZDKPB-UHFFFAOYSA-N 432.480 4.492 5 20 IIBD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2cnn(-c3ccc(Br)cc3)c2)n1 447549166 DAIPKYNBKLZTLG-QZTJIDSGSA-N 445.321 4.013 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 447627641 AACRFQSJVXPRPH-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD CS(=O)(=O)c1ccc(CNc2ccc3ncccc3c2[N+](=O)[O-])cc1C(F)(F)F 447675507 BHQIGODIJVLKHF-UHFFFAOYSA-N 425.388 4.177 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N(Cc1ccccc1)Cc1cc[nH]n1 462154550 FVHUUOIQLZIABC-UHFFFAOYSA-N 441.296 4.016 5 20 IIBD O=C(NCc1ccco1)c1cccc(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 463187447 BHGATZLKUNKHDM-UHFFFAOYSA-N 447.369 4.067 5 20 IIBD COc1ccc(CSCC(=O)NC[C@H]2CCCO[C@@H]2c2ccc(C)cc2)cc1[N+](=O)[O-] 464716817 ZHTUVCMZYJICMV-AUSIDOKSSA-N 444.553 4.429 5 20 IIBD CC(C)(C)N(Cc1ccccc1)C(=O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464783493 LPJCXWYXYNCURQ-UHFFFAOYSA-N 425.529 4.265 5 20 IIBD CC[C@@H]1Oc2cc([C@@H](C)NC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])ccc2NC1=O 465356049 FDYSPKGSYSGPCG-PXAZEXFGSA-N 447.875 4.004 5 20 IIBD CC(=O)N1CCC(NC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CC1 466598887 SHKSCYFFFYHBIT-UHFFFAOYSA-N 433.917 4.140 5 20 IIBD C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1nc(C(F)(F)F)cs1 470580793 HIIGPGBISQSYKZ-ZETCQYMHSA-N 438.225 4.253 5 20 IIBD Cc1cc(NC(=O)c2cc3c(C(F)F)nn(C)c3s2)n(-c2ccc([N+](=O)[O-])cc2)n1 470729574 INNXNJHLWQPNPZ-UHFFFAOYSA-N 432.412 4.227 5 20 IIBD O=C(N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)c1ccc(Cl)cc1[N+](=O)[O-] 475084263 BTYBRCBECUTFLV-AWEZNQCLSA-N 442.686 4.480 5 20 IIBD COC(=O)C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(F)cc1 475222629 CEHPBPZUPUSPFK-AWEZNQCLSA-N 429.326 4.179 5 20 IIBD COc1ccc(CC[C@H]2CCCCN2C(=O)c2cccc([N+](=O)[O-])c2OC)cc1OC 475538717 TVWBFWCLZTVVNE-QGZVFWFLSA-N 428.485 4.248 5 20 IIBD CCn1c(SCc2nc(-c3ccc(F)cc3)no2)nnc1-c1ccc([N+](=O)[O-])cc1 481351431 XATYDHHCYVLZDR-UHFFFAOYSA-N 426.433 4.355 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)c1C 481586542 LSIRLNARADWMJA-UHFFFAOYSA-N 446.529 4.420 5 20 IIBD CC(=O)Nc1ccc(F)c(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 484400420 GKUUQGPCDMVYQQ-UHFFFAOYSA-N 428.342 4.152 5 20 IIBD COC(=O)[C@H](C)N(C(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(Br)cc1C 484817598 BNSQVMNCQHPQFY-ZDUSSCGKSA-N 435.274 4.182 5 20 IIBD Cc1ccccc1CCc1cc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])n[nH]1 484854096 VIPPDUOSYUHFIZ-UHFFFAOYSA-N 429.274 4.426 5 20 IIBD Cc1ccnc(-n2nccc2NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 484929439 XRNRVUHPLACWSI-INIZCTEOSA-N 443.467 4.304 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1SCc1ccc(S(=O)(=O)N2CCCC2)o1 485267967 GWXWOOUITJVASS-UHFFFAOYSA-N 447.332 4.027 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 485504750 MTIMLLWYOGEGQQ-INIZCTEOSA-N 444.337 4.011 5 20 IIBD C[C@@H](NC(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1)c1cccc(NC(=O)c2ccccc2)c1 485652562 DWFIJGYRIFUESM-CQSZACIVSA-N 433.420 4.036 5 20 IIBD COCCCOC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 489603467 ISRRPHKUEULODJ-UHFFFAOYSA-N 430.526 4.404 5 20 IIBD CC(C)CCSc1ccc(C(=O)Nc2ccn(C3CCN(C)CC3)n2)cc1[N+](=O)[O-] 489997674 OWJAPAOEAKMMBW-UHFFFAOYSA-N 431.562 4.449 5 20 IIBD CCN(CC)c1ccc(-c2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])o2)cc1 494115590 KUEMLQYPDHVUNV-UHFFFAOYSA-N 427.486 4.222 5 20 IIBD O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)c1ccc([N+](=O)[O-])c2cccnc12 497910192 AEIOJLMGVTVJEM-UHFFFAOYSA-N 448.460 4.196 5 20 IIBD CN(C)C(=O)Nc1ccc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)c(Cl)c1 498158848 BQSLZKJVLSKXBE-GOSISDBHSA-N 434.905 4.230 5 20 IIBD Cc1ccc(-c2csc(NC(=O)[C@H]3CCCN3C(=O)CC(C)(C)C)n2)cc1[N+](=O)[O-] 498309226 GINPLTAKIZYTDT-MRXNPFEDSA-N 430.530 4.392 5 20 IIBD COc1cc(CNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)ccc1OCC(F)(F)F 500711982 BZWZVSBHWDYZSV-UHFFFAOYSA-N 430.404 4.196 5 20 IIBD CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)C1 508814911 YTOKIGKDLJWBTC-SJLPKXTDSA-N 437.496 4.049 5 20 IIBD COc1cc(CN2CCC[C@@H](c3nc(C)no3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 509342441 IPPKQCCTKHYYPK-GOSISDBHSA-N 438.484 4.253 5 20 IIBD O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 511830530 CASITJVUDJLDDA-INIZCTEOSA-N 433.386 4.364 5 20 IIBD Cc1cccc(NC(=O)N2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)c1 512649278 VRVCETBJZNECLM-UHFFFAOYSA-N 437.525 4.376 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC(N2CCc3ccccc3C2)CC1 518652893 JOYWPYVSCBSSHC-UHFFFAOYSA-N 448.548 4.381 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc(C(=O)NCc2ccccc2F)cc1 521009978 LDCNODHQNLUFKZ-UHFFFAOYSA-N 446.438 4.257 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1 522362096 ZMFASOPIXPNPAZ-MUUNZHRXSA-N 430.507 4.012 5 20 IIBD CN(C)C1CCN(CCNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 530903871 YBXITSBRQAKNLY-UHFFFAOYSA-N 432.952 4.156 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 531563181 BKRKMVMITBDJDS-UHFFFAOYSA-N 438.415 4.317 5 20 IIBD CN(CCCc1cc(-c2ccccc2)no1)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 532945527 NUGOQMDYYGCLEN-UHFFFAOYSA-N 436.468 4.112 5 20 IIBD Cc1c(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cccc1C(=O)N1CCOCC1 533219271 CNVCPAUVMVQKMF-UHFFFAOYSA-N 438.509 4.111 5 20 IIBD O=C(c1ccn(-c2ccc(Cl)cc2)n1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 536043109 DXPFSLCQGPCUQY-UHFFFAOYSA-N 426.860 4.118 5 20 IIBD O=C(NCCNc1ncnc2ccc([N+](=O)[O-])cc12)C1(c2cccs2)CCCCC1 539925019 POCHQNYAICHCPM-UHFFFAOYSA-N 425.514 4.030 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)c1nc(-c2ccccc2)cs1 541659996 DAOUBFQKNCQOME-KBPBESRZSA-N 426.498 4.405 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1NC(=O)CN1CCCCC1 543463456 TXZVIXYSODRFJY-MRXNPFEDSA-N 442.491 4.209 5 20 IIBD COc1ccc(Cc2nc(Cc3ccc(OCc4ccccn4)cc3)no2)cc1[N+](=O)[O-] 544949944 AZRNTMKMIWBIPC-UHFFFAOYSA-N 432.436 4.142 5 20 IIBD O=c1c2ccccc2n(Cc2nc(-c3ccccc3Cn3cccn3)no2)c2ccccc12 545587342 SNAZLTYHTXUGMV-UHFFFAOYSA-N 433.471 4.498 5 20 IIBD C[C@@H]1CCCN1C(=O)c1ccc(-c2noc(C(F)(F)c3ccc([N+](=O)[O-])cc3)n2)cc1 545855926 YIPJRFLZAAZRED-CYBMUJFWSA-N 428.395 4.409 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(C3=NN(c4ccccc4)[C@@H](c4ccccc4)C3)n2)nc1 547193469 ADGTUCHOULACNR-OAQYLSRUSA-N 426.436 4.319 5 20 IIBD Cn1ccnc1[C@@H](Nc1cccc(I)c1)c1ccc([N+](=O)[O-])cc1 552070465 QSBDJPVLCQKCEP-INIZCTEOSA-N 434.237 4.134 5 20 IIBD C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](CCO)c1ccc(Cl)c(Cl)c1 556921836 FOGLVPSHEAQCHA-KZULUSFZSA-N 426.300 4.332 5 20 IIBD C[C@@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F)[C@H]1OCCc2sccc21 559755039 BBVMTKBVVZJLMF-SJKOYZFVSA-N 428.432 4.497 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CN[C@H](c3cncc(Br)c3)C3CC3)n2)c1 560180622 HHOJDTXUTMKLDA-KRWDZBQOSA-N 430.262 4.043 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(COCC(F)(F)C(F)F)no1 561389900 ATMQWMZEWXQLGI-UHFFFAOYSA-N 428.136 4.133 5 20 IIBD CO[C@H](c1ccc(Br)cc1)c1noc(COc2ccc([N+](=O)[O-])c(C)c2)n1 569766901 LLMWWAKPCHGBML-QGZVFWFLSA-N 434.246 4.364 5 20 IIBD Cc1ccc(Br)cc1NC(=O)CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] 572904344 ZEDDSIWGRRPOFD-UHFFFAOYSA-N 448.317 4.088 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)N(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 578800633 QHGJFZRRYZJFAI-RUZDIDTESA-N 444.535 4.226 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccc(Br)cn1 588832158 IDNSIXIGIWCYQX-QGZVFWFLSA-N 445.317 4.330 5 20 IIBD O=C(NCc1cccc(COCc2ccccc2)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 603742743 MKIFQYSXLULJRN-UHFFFAOYSA-N 442.475 4.427 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)c(Cl)c1 603975256 OGSPAQWMJPDVAZ-UHFFFAOYSA-N 446.794 4.254 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 604471188 HBDDDRGPDOPCBY-UHFFFAOYSA-N 442.825 4.195 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCN(c4cccc(O)c4)CC3)c([N+](=O)[O-])c2)cc1 608971840 UIAMGTCKGFPWTK-UHFFFAOYSA-N 432.480 4.188 5 20 IIBD CCc1cc(N2CCO[C@H](c3ccc(F)c(F)c3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 608974391 ZDYFRIWHZDFERN-FQEVSTJZSA-N 426.423 4.470 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc2ccccc2n1C1CCCCC1 609321596 IBNOQFLKGSEYIX-UHFFFAOYSA-N 430.486 4.259 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(NC(=O)C2CC2)nc1 609427270 PVQNLSXCCAPYFM-UHFFFAOYSA-N 440.403 4.088 5 20 IIBD O=C(Nc1nc2ccsc2s1)c1ccc([N+](=O)[O-])cc1I 609795342 MJEIYMAMPOPKBM-UHFFFAOYSA-N 431.236 4.123 5 20 IIBD COc1ccc(-c2nc(C(=O)N3CCCc4ccc([N+](=O)[O-])cc43)cs2)cc1OC 609859717 VHXRORVMOKNCSB-UHFFFAOYSA-N 425.466 4.329 5 20 IIBD O=C([C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)N1CCc2c1cccc2[N+](=O)[O-] 609973048 ZMMZUGWPWOHIOS-GOSISDBHSA-N 434.279 4.096 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2cc3c(Cl)cccc3s2)CC1 610118204 FMELOIMKLMDNKG-UHFFFAOYSA-N 429.885 4.061 5 20 IIBD COc1cc([C@@H]2Nc3ccc(C)cc3C(=O)N2C)c([N+](=O)[O-])cc1OCC(F)(F)F 610162395 ZJHVRTUIPUQEII-QGZVFWFLSA-N 425.363 4.049 5 20 IIBD CCOc1cc(NC(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)c([N+](=O)[O-])cc1OCC 610169538 JGWSOHIZVNTFON-UHFFFAOYSA-N 443.500 4.307 5 20 IIBD Cc1ccc(OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c(I)c1 610411651 SGGYTHLZLKLLGI-UHFFFAOYSA-N 437.193 4.137 5 20 IIBD Cc1nn(C)cc1[C@H]1CCCN1C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 610729804 RMQQHJWXKFTONQ-QGZVFWFLSA-N 449.298 4.107 5 20 IIBD Cc1nc(CC(C)C)c(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])s1 610753815 LCDDMULUBNQLHI-UHFFFAOYSA-N 434.337 4.122 5 20 IIBD CC(C)c1cc(Br)ccc1NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 611181305 XTRWOWQZMSSKLR-LBPRGKRZSA-N 434.290 4.238 5 20 IIBD COC[C@H](NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 619583381 BWHOEJNKZLODCO-INIZCTEOSA-N 426.391 4.195 5 20 IIBD COc1ccc2cc(CN(C)C(=O)[C@H](C)OC(=O)c3cccc(C)c3[N+](=O)[O-])ccc2c1 730597886 GVQGTGBSYFATRF-INIZCTEOSA-N 436.464 4.269 5 20 IIBD CSc1ccc(Cl)c(C(=O)OC[C@@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])c1 730707889 LFMXOLVASRFEQE-ZDUSSCGKSA-N 434.901 4.432 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cc(C)c(OC(F)F)c(C)c1 730858491 MJBSMCOWOMQJBV-GFCCVEGCSA-N 438.383 4.006 5 20 IIBD Cc1c(NC(=O)[C@H](C)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] 731482447 OKFTZFSGZINYET-BTYIYWSLSA-N 431.920 4.329 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)cc([N+](=O)[O-])c1 731833410 ZNRAHQNUSNXPEA-FQEVSTJZSA-N 446.887 4.011 5 20 IIBD O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 735251453 MTLGZTZKLQPCSD-UHFFFAOYSA-N 444.440 4.329 5 20 IIBD Cn1ccnc1SCc1ccc(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)o1 735601370 URLDFASGRKDJGI-UHFFFAOYSA-N 440.437 4.226 5 20 IIBD O=C(NC[C@H]1COc2ccccc2C1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 735993836 HAKYOQOSPCNYDR-LBPRGKRZSA-N 447.278 4.068 5 20 IIBD COc1ccc(Cl)cc1CC(=O)OC1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 739386369 UGPZSFDTYBEWKB-UHFFFAOYSA-N 434.876 4.020 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 741985164 CGHAKIPPOLKASI-QZTJIDSGSA-N 446.548 4.008 5 20 IIBD C[C@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@H](NC(=O)OC(C)(C)C)c1ccccc1 742529968 LMCNOUXVRPLOFU-JXFKEZNVSA-N 427.501 4.455 5 20 IIBD CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 744118021 WHBMLODJMGSPEE-UGNRZPKXSA-N 432.517 4.117 5 20 IIBD Cc1c(C(=O)Oc2cccc(NC(=O)OC(C)(C)C)c2)nnn1-c1cccc([N+](=O)[O-])c1 744246654 FYFVJPMKOUILGD-UHFFFAOYSA-N 439.428 4.050 5 20 IIBD COc1ccccc1CC(C)(C)C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 745015400 VNBPHXFECXBHJU-ZDUSSCGKSA-N 434.876 4.396 5 20 IIBD O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 750096877 RILAHKGMYQHVKP-OALUTQOASA-N 438.311 4.428 5 20 IIBD O=C(NCCOc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1Br 751090641 MPCOARUPEPYTCA-UHFFFAOYSA-N 433.180 4.185 5 20 IIBD COc1ccc(CNC[C@]2(O)CCc3ccccc32)cc1OCc1ccc([N+](=O)[O-])cc1 752123088 PIZMJLBIYUIBOI-RUZDIDTESA-N 434.492 4.106 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N(C)C2CCC(NC(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] 753042917 ZLGATCCSSFMSBF-ZLPCBKJTSA-N 434.537 4.442 5 20 IIBD O=C1C[C@@H](C(=O)N(CC(F)F)c2cccc(Cl)c2)CN1c1ccc(F)c([N+](=O)[O-])c1 753663705 BMUYLYKNHRWJEG-LLVKDONJSA-N 441.793 4.039 5 20 IIBD O=C(C[C@H]1CCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1cccs1 755018230 UDRFELHWIRENFC-LLVKDONJSA-N 441.278 4.436 5 20 IIBD O=C(CCCc1csc2ccccc12)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 756215530 DNZLIXQUXGLUOW-UHFFFAOYSA-N 438.914 4.291 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)C[C@H](O)c1ccsc1 757183112 UJLGEYCQTAVKON-NRFANRHFSA-N 425.510 4.144 5 20 IIBD CC[C@H](C)n1ncc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1C1CC1 760625188 GKHAUKKJIPETRD-NWDGAFQWSA-N 434.880 4.477 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(Cc2noc(COc3cccc([N+](=O)[O-])c3)n2)cc1 762287782 UYUYXFOEYFBDJH-UHFFFAOYSA-N 426.429 4.495 5 20 IIBD O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CNC1(c2ccc(F)cc2F)CCCC1 764134649 KYOSPASJPJQBBS-UHFFFAOYSA-N 426.423 4.113 5 20 IIBD Cc1c(C(=O)Nc2cc(Br)ccc2N2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 764319041 QSBKMDKWBCNWJS-UHFFFAOYSA-N 449.261 4.426 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(N(C)C(=O)c2ccncc2)cc1 765068297 RUSJYKARGZCAEE-HXUWFJFHSA-N 446.507 4.152 5 20 IIBD O=C(Nc1ccccc1C(=O)N[C@H]1CCO[C@H](C2CC2)C1)c1ccc([N+](=O)[O-])cc1Cl 765803200 QALBPVSASFBJPD-XOBRGWDASA-N 443.887 4.188 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(C[C@@](O)(c3nc4ccccc4s3)C(F)(F)F)n2)cc1 766239270 GMBDCZCUDYYBND-QGZVFWFLSA-N 436.371 4.247 5 20 IIBD O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)OCc1ccccc1[N+](=O)[O-] 767506317 KRQBVBXWOFRIHK-UHFFFAOYSA-N 436.449 4.271 5 20 IIBD Cc1cc(F)ccc1-n1cc(C(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)nn1 768126135 SQRMCBIEIPCWEI-UHFFFAOYSA-N 429.839 4.333 5 20 IIBD CC(=O)[C@H](Cc1ccc(F)c(F)c1F)OC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 768697659 WSXWUDVJSOHAPV-INIZCTEOSA-N 445.777 4.178 5 20 IIBD CC(C)N(CCS(C)(=O)=O)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 769501352 DPMPRNVWWUXXEP-UHFFFAOYSA-N 426.922 4.296 5 20 IIBD O=C(CCCCNC(=O)c1sc(Br)cc1[N+](=O)[O-])OCc1ccccc1 770724881 WGCMJFCFMZTJHA-UHFFFAOYSA-N 441.303 4.062 5 20 IIBD C[C@H](CCS(C)(=O)=O)OC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 774822399 AJGCTMIJGRKSCH-GFCCVEGCSA-N 443.930 4.379 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NCc1ccc(-c2ccccc2)c(C)c1 779276132 NADWPUFVKCGFKD-UHFFFAOYSA-N 434.448 4.087 5 20 IIBD CCc1ccc(N2CCN(C(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)CC2)cc1 780827895 KHKLFUYILVNFLN-UHFFFAOYSA-N 447.485 4.484 5 20 IIBD CCN(CC)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1Br)Cc1ccccc1 782167922 UPKDFRIRYYBUPI-INIZCTEOSA-N 434.334 4.040 5 20 IIBD COc1ccc(NC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 782811520 UTIODBVIDOHVFA-NRFANRHFSA-N 435.436 4.210 5 20 IIBD CCN(C(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)C1CCCCC1 784049775 XASJFDMXTCNNLP-NSHDSACASA-N 445.285 4.223 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 785124779 GXKQVLLPCMFNBY-LBPRGKRZSA-N 441.793 4.222 5 20 IIBD Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 787288916 QJHWCCCJKZVNAG-UHFFFAOYSA-N 435.315 4.429 5 20 IIBD CN(Cc1ccn(-c2ccccc2)n1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 787338543 BJFFOUJLSMZYJQ-UHFFFAOYSA-N 433.390 4.141 5 20 IIBD C[C@H](OC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccnn1C 791923593 ISCZNTHCNNXGKT-INIZCTEOSA-N 431.452 4.028 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1C 794870668 YANNDXXCSWSULK-UHFFFAOYSA-N 437.474 4.060 5 20 IIBD C[C@@H](OC(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1)C(=O)Nc1ccc([N+](=O)[O-])cc1 797510261 IZHDKNACNWSPCF-LLVKDONJSA-N 449.250 4.271 5 20 IIBD CCCN(C(=O)CCOc1cc(C)ccc1[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 798333953 IAHJGWCYHLCXIQ-UHFFFAOYSA-N 449.548 4.310 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Br)N1CCOc2c(Br)cccc21 799441825 OEVBFPAFQAGDMV-UHFFFAOYSA-N 442.063 4.159 5 20 IIBD C[C@H](OC(=O)C(C)(C)COCc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 800293607 WCXVKSYCFPWGOI-AWEZNQCLSA-N 434.876 4.361 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H](C)Cc1c(Cl)cccc1Cl 800621036 JZXQNWFOPMPONZ-SECBINFHSA-N 428.247 4.035 5 20 IIBD COc1ccc(Cl)cc1-c1nc(=S)n(CN(C)CCc2cccc([N+](=O)[O-])c2)[nH]1 800866141 UCOGNGHKDUPUDA-UHFFFAOYSA-N 433.921 4.310 5 20 IIBD CN(C(=O)COC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])c1nccs1 801334460 QYEVTYXAWLIWJM-UHFFFAOYSA-N 429.479 4.022 5 20 IIBD COc1ccc2c(c1)OCCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)C2 802248416 QZYLHFXQMYFFKQ-UHFFFAOYSA-N 441.665 4.054 5 20 IIBD Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 802904062 XAPZCIVQNFMJLR-UHFFFAOYSA-N 428.811 4.069 5 20 IIBD CO[C@@H](C)CN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 804841282 XNBXJJACNJIYJY-SFHVURJKSA-N 425.529 4.161 5 20 IIBD CN(C)C(=O)Sc1cc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)ccc1Cl 805435808 ORHMRWXLZMWNJE-UHFFFAOYSA-N 437.861 4.045 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 807531309 RBUMLQPPXLXAJT-UHFFFAOYSA-N 444.850 4.213 5 20 IIBD COc1ccc(-c2ocnc2C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 808643717 OWBZUTKIVMNVQW-NSHDSACASA-N 445.815 4.096 5 20 IIBD COc1cccc(C(=O)O[C@@H](C)c2ccc(S[C@@H]3CCCCNC3=O)cc2)c1[N+](=O)[O-] 809045208 FUNVJTLDYYOKGT-IFXJQAMLSA-N 444.509 4.282 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@](c2nc(-c3ccc([N+](=O)[O-])s3)no2)(C(F)(F)F)C1 809469507 ZNPIHTKKRKHRGS-HNNXBMFYSA-N 434.396 4.147 5 20 IIBD C[C@H](NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1nc2ccccc2n1C(F)F 809807222 MGKZBVLIVFWKKP-QMMMGPOBSA-N 448.810 4.172 5 20 IIBD COCCc1nc(COC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)no1 811183758 CQNNDSXXYDZQPY-UHFFFAOYSA-N 449.872 4.328 5 20 IIBD O=C(NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)c1ccc([N+](=O)[O-])c(Cl)c1 811587547 ZBCSVISDLICVPG-UHFFFAOYSA-N 440.765 4.333 5 20 IIBD O=C(Nc1ncc(-c2ccc(Cl)cc2)s1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 812309183 ZBTMASIJGAPADZ-UHFFFAOYSA-N 444.900 4.461 5 20 IIBD N=c1cc[nH]c(-c2noc(-c3ccc([N+](=O)[O-])c(Sc4ccc(Cl)cc4)c3)n2)n1 813354720 ZKTFKYLSGBCGNZ-UHFFFAOYSA-N 426.845 4.319 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)c1ccc(C(F)(F)F)nc1Cl 815049784 HDQYLTOFLBUDPZ-MRVPVSSYSA-N 441.790 4.149 5 20 IIBD O=C(CC[C@@H]1CCCO1)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 914971309 SJUSBYYOHNBJEE-OXJNMPFZSA-N 432.860 4.430 5 20 IIBD COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1NC(=O)OC(C)(C)C 915187784 AINTUNJQDGQZSU-UHFFFAOYSA-N 437.474 4.060 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 915827723 GFHIMAOHPGRXMU-GFCCVEGCSA-N 441.793 4.254 5 20 IIBD O=C(NS(=O)(=O)/C=C/c1ccccc1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 916782539 VGLRHFRKLISNOU-BUHFOSPRSA-N 440.502 4.477 5 20 IIBD CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 920148695 PSNYNTTXRXRVAN-UHFFFAOYSA-N 441.267 4.032 5 20 IIBD O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccc(Br)c([N+](=O)[O-])c1 920269047 QXVSSXYSNMDJNP-MRXNPFEDSA-N 431.246 4.337 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC(=O)Nc1ccc2ccccc2c1 920776713 CBXOMYYLJPGRTB-ZDUSSCGKSA-N 428.828 4.351 5 20 IIBD O=C(Nc1n[nH]c2ccccc12)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 934874399 BNEXHAYKRGOOJF-UHFFFAOYSA-N 433.390 4.345 5 20 IIBD CCOC(=O)C[C@@H]1CCCN1C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 1116676941 YJJUZRIDMPQKAZ-AWEZNQCLSA-N 435.527 4.069 5 20 IIBD CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1Br 1340826761 MMDAKFLTTKLXHU-KRWDZBQOSA-N 449.301 4.040 5 20 IIBD CCOc1ccccc1OCc1nnc(-c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])o1 1345663634 MQAAOGAPEIKTRT-UHFFFAOYSA-N 437.355 4.233 5 20 IIBD CC1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 4893481 IBOCUJOZOOBBBZ-QGZVFWFLSA-N 425.485 4.011 5 20 IIBD COc1cc(CSc2nnc(-c3ccoc3C)n2C)c([N+](=O)[O-])cc1OC(F)F 12724088 UPGTXVDTSQTUDJ-UHFFFAOYSA-N 426.401 4.194 5 20 IIBD Cn1ccnc1[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 16262387 HLRIRUPKFKTPDZ-LJQANCHMSA-N 425.876 4.075 5 20 IIBD CCNc1nc(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)nc2ccccc12 16397304 CKMAHPZJQPITCR-LBPRGKRZSA-N 427.486 4.098 5 20 IIBD CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 18747409 LKGZZVGHELVFJA-XOBRGWDASA-N 448.435 4.213 5 20 IIBD COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nc3cc4ccccc4cc3c(=O)n2C)c1C 22254234 OCHPANHDLUPVDP-CQSZACIVSA-N 449.532 4.182 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1 24915262 FCRKPBBFALGAFD-GFCCVEGCSA-N 428.495 4.423 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nnc(NCc2ccccc2)s1 26363417 FVZLKRXHPLIZET-UHFFFAOYSA-N 429.527 4.488 5 20 IIBD CCOC(=O)c1cc(C(=O)O[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)cc([N+](=O)[O-])c1 26559077 PJGHRRWUFIRXRV-ZDUSSCGKSA-N 425.397 4.048 5 20 IIBD CSCC[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)OCc1ccccc1C 29368172 RFVGEUHMWCVIKM-QGZVFWFLSA-N 436.917 4.152 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c(F)cc1F 31026982 GSEZVDCIJAEUFV-CHWSQXEVSA-N 447.438 4.394 5 20 IIBD CC(C)c1ccc(-n2cnnc2SCC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 58516241 DMFLLQWDIYFAGK-OAHLLOKOSA-N 425.514 4.268 5 20 IIBD CC[C@H](C)c1ccc([C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c2cccs2)cc1 59407810 YIQZNLGTFJEOIF-NYHFZMIOSA-N 425.510 4.237 5 20 IIBD Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 59775503 GIHHFBJDUNVCOT-IYBDPMFKSA-N 425.485 4.039 5 20 IIBD Cc1ccc(-c2cc(NC(=O)CCn3cc([N+](=O)[O-])nc3C)n(-c3ccccc3)n2)cc1 61135680 CEIRWVAXCIXPJB-UHFFFAOYSA-N 430.468 4.290 5 20 IIBD CN(Cc1cc(Br)ccc1F)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 64852907 RAUHKJRELDCXSN-UHFFFAOYSA-N 447.264 4.169 5 20 IIBD O=C(Nc1ccc(Oc2ccc(Cl)cc2)nc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 108941866 YUKKLEALRWQOBE-UHFFFAOYSA-N 436.815 4.269 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCCOc1cccc2cccnc12 111022675 WAVHQHRTQWYOBC-UHFFFAOYSA-N 437.499 4.288 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1c(Cl)ccc(F)c1Cl 195588869 QYHGLGHMNRNPPV-UWVGGRQHSA-N 428.247 4.036 5 20 IIBD COc1ccc(-c2ccc(CNCc3ccnc(OCC(F)(F)F)c3)o2)c([N+](=O)[O-])c1 237436190 CMAZHIYRGXNNOH-UHFFFAOYSA-N 437.374 4.489 5 20 IIBD Cn1ncc2c1CCC[C@H]2NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 237827286 HFGPUCPLOXWICP-JOCHJYFZSA-N 428.496 4.348 5 20 IIBD O=C(Nc1ccc2c(c1)OCO2)C1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 301062323 HDAYPMQKBQBDDC-UHFFFAOYSA-N 437.374 4.197 5 20 IIBD CCc1cc(N2CCC(C(=O)Nc3ccccc3O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 301072545 HDAQREOVNPWKEL-UHFFFAOYSA-N 447.495 4.175 5 20 IIBD CCc1cc(CNc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])on1 301338631 HIZQEWAIHSDBBJ-UHFFFAOYSA-N 430.486 4.175 5 20 IIBD O=C(Nc1cccc(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1)c1ccccn1 426029102 OCNFWQRZOKVRNF-UHFFFAOYSA-N 445.479 4.116 5 20 IIBD COC(=O)c1cccc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])c1OC(C)C 427013011 UIWFVPBIIZFVMG-UHFFFAOYSA-N 435.436 4.483 5 20 IIBD O=C(c1cnc(OCc2ccccc2)cn1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 428189213 BMTUUPIHYDUJDD-UHFFFAOYSA-N 446.385 4.169 5 20 IIBD CC(=O)N[C@@H](C)CCc1ccc(C(=O)COc2c(Br)cccc2[N+](=O)[O-])cc1 431218103 KSLUZRAXKMTPJO-ZDUSSCGKSA-N 449.301 4.076 5 20 IIBD O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC2(CCC2)c2cc(Br)ccc21 433712377 GODPLXAXCGAZKU-UHFFFAOYSA-N 445.269 4.211 5 20 IIBD COc1ccc(OC)c([C@H](C)NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1 435836087 OSBWWFCQAOOGPF-LBPRGKRZSA-N 438.430 4.468 5 20 IIBD CC(C)[C@@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCc2ccccc2C1 436116573 VYGTWDGYHITTPY-AREMUKBSSA-N 439.559 4.494 5 20 IIBD C[C@@H]1CCC[C@](CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)(N(C)C)C1 436148923 IJISZKKFBAKZNN-SHACYNPGSA-N 427.495 4.200 5 20 IIBD Cc1c(C(=O)N[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)nnn1-c1cccc([N+](=O)[O-])c1 437451023 ITRYIBLPJBWZMY-KOMQPUFPSA-N 445.401 4.179 5 20 IIBD COC(=O)c1c(C2CC2)csc1NC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] 439676060 VDDQPRYKLPDKBV-UHFFFAOYSA-N 442.396 4.183 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c(Cl)c1 441542948 PXTIWOMNWVFMPY-HNNXBMFYSA-N 441.296 4.304 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCC2(CCCCC2)CC1 442975642 KFQVTBWVHCQEOF-UHFFFAOYSA-N 435.590 4.109 5 20 IIBD C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)Oc1ccccc1F 444096671 QIIKHLSMTKBMLQ-LBPRGKRZSA-N 426.394 4.296 5 20 IIBD CC(C)(C)OC(=O)[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccccc1 444240993 FDBBBGMDKOYYSZ-QFIPXVFZSA-N 428.488 4.494 5 20 IIBD O=C(NCCc1ccc(F)c(F)c1F)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444307749 ZUNPSLSVWSUSOP-UHFFFAOYSA-N 432.348 4.349 5 20 IIBD CCOc1ccccc1NC(=O)Cc1noc([C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n1 445350185 KEOCCVMLHRCOPF-GFCCVEGCSA-N 446.847 4.351 5 20 IIBD COc1cc(/C=C/c2nc(-c3c([N+](=O)[O-])nc(C)n3C)no2)cc(Cl)c1OC(C)C 445606713 FNUHJAUVAVOYKA-VOTSOKGWSA-N 433.852 4.306 5 20 IIBD CCS(=O)(=O)c1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])cc1 446425059 IQUZLRLTGCGTOW-UHFFFAOYSA-N 440.477 4.220 5 20 IIBD Cc1c(Br)ccc(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c1F 447640865 VYHOZBWALDQBFK-UHFFFAOYSA-N 434.221 4.371 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@](C)(c2ccc(C)cc2)C1 447695200 VTOLQTLCUNHAMA-HSZRJFAPSA-N 442.537 4.362 5 20 IIBD Cc1ccc([C@H](NC(=O)c2csc([N+](=O)[O-])c2)c2cccc(S(C)(=O)=O)c2)c(C)c1 460572041 FXHHZTGFVKAIAY-HXUWFJFHSA-N 444.534 4.196 5 20 IIBD O=C(NCc1cc(Br)cc2c1OCC2)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 462218282 MBDRMVISBWFYOK-UHFFFAOYSA-N 445.191 4.241 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(C)CCc2cccc(Br)c2)cc1SC 462834992 CRTFGPIDVWWEQC-UHFFFAOYSA-N 439.331 4.403 5 20 IIBD C[C@H](NC(=O)c1c(Cl)cccc1I)c1cccc([N+](=O)[O-])c1 463509661 QGGSBVGRGGHKBZ-VIFPVBQESA-N 430.629 4.344 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1nc(-c2ccccc2Cl)cs1 465137327 UFWCKJUYRWRYAI-UHFFFAOYSA-N 431.857 4.324 5 20 IIBD C[C@H](CN1CCCC1=O)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 466215644 LDQTXEXNNZXVCN-CYBMUJFWSA-N 433.917 4.140 5 20 IIBD CN(Cc1ccccc1NC(=O)NCCc1ccccc1[N+](=O)[O-])C(=O)c1cccs1 467985226 RWADKGDFYADTME-UHFFFAOYSA-N 438.509 4.293 5 20 IIBD Nc1c(C(=O)Nc2ccc(CN3C(=O)Cc4ccc(Cl)cc43)cc2)cccc1[N+](=O)[O-] 468699424 VLRBZGGNMQYNRO-UHFFFAOYSA-N 436.855 4.172 5 20 IIBD Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C3)cc1 468701502 CKALDKGJPLCGTL-UHFFFAOYSA-N 445.479 4.328 5 20 IIBD COc1ccc(S(=O)(=O)N(C)[C@H](C)c2sc(-c3ccccc3)nc2C)c([N+](=O)[O-])c1 468809561 COGIKZSFIBCMOP-CQSZACIVSA-N 447.538 4.417 5 20 IIBD CCC(C)(C)OCc1ccccc1NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 469803933 HGSIQXKLVFYIMZ-UHFFFAOYSA-N 439.468 4.206 5 20 IIBD CC[C@H](c1ccccc1)c1nnc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 471506473 HZVMCLJRZXBMAS-CYBMUJFWSA-N 438.918 4.442 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)N1CCCC2(CCC2)C1 473324632 KNJOHDHBRUFSPJ-UHFFFAOYSA-N 443.525 4.110 5 20 IIBD CCOc1cc(NC(=O)N[C@@H](C)c2noc(-c3ccccc3)n2)c([N+](=O)[O-])cc1OCC 473767278 ZFMAVKOAQSRLPM-ZDUSSCGKSA-N 441.444 4.325 5 20 IIBD C[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(Br)cn1 475229207 CFBVYVMAELPMIS-QMMMGPOBSA-N 431.193 4.236 5 20 IIBD CC(=O)c1ccc(Cl)c(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 475296513 MHFDAGQTTLVAGP-LJQANCHMSA-N 429.860 4.003 5 20 IIBD Cc1sc(CCNC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)nc1-c1ccccc1 478836271 BZAQBKRJKKDGGV-UHFFFAOYSA-N 434.477 4.253 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 479305675 IBCHZDKFDLKXSB-OAQYLSRUSA-N 430.936 4.269 5 20 IIBD O=[N+]([O-])c1ccn(CCSc2nnc(Nc3ccc(OC(F)(F)F)cc3)s2)n1 481249323 HGCDVEUREOBCCD-UHFFFAOYSA-N 432.409 4.077 5 20 IIBD O=C(NCCc1c[nH]c2cc(Cl)cc(Cl)c12)c1cc2c(cc1[N+](=O)[O-])OCCO2 481654094 BCKRQLDNZQYBIL-UHFFFAOYSA-N 436.251 4.127 5 20 IIBD Cc1cc2sc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)nc2cc1F 481877597 YKVXHMZPHPSEML-UHFFFAOYSA-N 435.380 4.472 5 20 IIBD O=C(Nc1cccc(CN2CCOCC2)c1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 483633363 IVAGILDBAHLKAM-UHFFFAOYSA-N 446.507 4.291 5 20 IIBD O=C(Cc1csc(-c2ccc(Cl)cc2)n1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 483837060 NDUTXZNGOIHSJZ-UHFFFAOYSA-N 442.928 4.263 5 20 IIBD Cc1ccc(-c2ccc(Cl)cc2NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)o1 484639767 GLEHFRSCIPVQJO-UHFFFAOYSA-N 439.811 4.051 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N(C)Cc3ncnn3CC(F)F)cc2[N+](=O)[O-])cc1 486764383 SKCBBEYLOXMXBD-UHFFFAOYSA-N 447.467 4.183 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cnn(CCC(C)C)c2C(C)C)cc1[N+](=O)[O-] 487763227 PVWNGMWIVXUTMM-MRXNPFEDSA-N 429.521 4.085 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](OCCN2CCCCC2)C1 490591449 XXHMABGKHLEFMX-IBGZPJMESA-N 435.590 4.060 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2csc([N+](=O)[O-])c2)ccc1C 492929412 NEWMGJLFFXADMW-UHFFFAOYSA-N 447.494 4.026 5 20 IIBD O=C(N[C@H](c1ccccc1OC(F)F)C(F)(F)F)c1n[nH]c2ccc([N+](=O)[O-])cc12 493559215 VPRIVPBSIHXFKC-CQSZACIVSA-N 430.289 4.106 5 20 IIBD O=C(Nc1cc(Cl)ccc1-c1nc(C2CC2)no1)c1cc2c(c([N+](=O)[O-])c1)OCO2 497357694 JIUOZQJJRWMLDF-UHFFFAOYSA-N 428.788 4.157 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCN(Cc2cccc3ccccc23)CC1 497780188 QBAKBCRQPWFPNX-UHFFFAOYSA-N 426.476 4.254 5 20 IIBD Cc1ccc(-c2n[nH]c(SCC(=O)N3CCS[C@H]3c3ccc([N+](=O)[O-])cc3)n2)cc1 498151905 FPGVCYALDDVQQM-IBGZPJMESA-N 441.538 4.055 5 20 IIBD CC[C@@H](c1ccc(F)cc1)N(Cc1cccc(F)c1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O 499781724 ZKSHRNVPCWXRBH-NRFANRHFSA-N 441.434 4.215 5 20 IIBD CCOC[C@@H]1CCCN(c2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2[N+](=O)[O-])C1 505769192 PBMHGAKVNGTRGI-GOSISDBHSA-N 447.557 4.063 5 20 IIBD C[C@H]1CCCN(Cc2ccccc2CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 507349264 PBHOTYGECZDIRI-SFHVURJKSA-N 447.539 4.157 5 20 IIBD CCCN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CCCN(Cc2ccccc2)C1 508459601 VFLLOZPMRFXUQR-XMMPIXPASA-N 447.539 4.297 5 20 IIBD COCCOc1cncc(C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)c1 509166054 RREWLSDOHVWZHV-UHFFFAOYSA-N 431.495 4.480 5 20 IIBD O=C(Nc1ccc(Br)cn1)C1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 509378663 KRZJMQPYPIBPIF-HWKANZROSA-N 445.317 4.116 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 509786422 LRKQSOUKDLBMAY-INIZCTEOSA-N 442.859 4.244 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(CS(=O)(=O)C(C)C)cc1 510007023 KJVGRWQTPTZUIZ-UHFFFAOYSA-N 433.530 4.361 5 20 IIBD Cc1nc(CN2CCN(Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)CC2)oc1C 513429051 BFHPSUIBJHFVCB-UHFFFAOYSA-N 440.475 4.449 5 20 IIBD O=C(Cc1c[nH]c2cccc(Br)c12)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 513950898 YPVVJEWGMKBBNP-UHFFFAOYSA-N 440.257 4.206 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1Br 515204585 XCYFGTLLSGMXED-DZGCQCFKSA-N 440.091 4.406 5 20 IIBD COc1ccc(CSCC(=O)NCCOc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] 516231273 JZGAJEVNWALHKN-UHFFFAOYSA-N 445.324 4.339 5 20 IIBD C[C@H](Oc1ccc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cn1)c1ccccc1 516519811 CFNJOEYQHHDYED-SFHVURJKSA-N 432.480 4.092 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1 520866285 ZNNSLSAJKXCGPW-UHFFFAOYSA-N 447.419 4.235 5 20 IIBD O=C(NCC1(c2c(F)cccc2F)CCCC1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 521926101 XGRIURGHDHERFD-UHFFFAOYSA-N 427.407 4.369 5 20 IIBD CN(Cc1cccc(Br)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl 522616522 PLUXRDHOLFUZOH-UHFFFAOYSA-N 449.692 4.193 5 20 IIBD Cn1c([C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)c2ccccc2)nc2ccccc21 523615734 HSJMCBAWIAIZDR-JOCHJYFZSA-N 429.480 4.113 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1I 524326697 JBTIGNPVFPPMLJ-UHFFFAOYSA-N 447.026 4.214 5 20 IIBD CC(C)N1CCC(O)(CNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 531609742 ZAXMZMNJPWYSDR-UHFFFAOYSA-N 433.936 4.365 5 20 IIBD C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1NS(=O)(=O)c1cccs1 533169729 AJMIPWAHTYXZLF-CYBMUJFWSA-N 446.510 4.340 5 20 IIBD COc1cc(CN[C@@H](C)c2n[nH]c(C(C)C)n2)ccc1OCc1ccc([N+](=O)[O-])cc1 535683802 LNHUGFZIZMCEJX-HNNXBMFYSA-N 425.489 4.275 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1 537097798 DNTQUYGZNWRENM-UHFFFAOYSA-N 443.525 4.349 5 20 IIBD O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 538649027 AMFJHSYHDKGCLT-UHFFFAOYSA-N 447.856 4.007 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 539745621 VKLFPHHJFOKSHY-INIZCTEOSA-N 434.500 4.329 5 20 IIBD C[C@H](NCc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 540378871 LTCCURCGUROVPB-JTQLQIEISA-N 426.786 4.094 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 541109648 LDMHAICMSYZBQJ-AWEZNQCLSA-N 445.829 4.053 5 20 IIBD CCCc1c(NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)cnn1-c1cccc(F)c1 542415028 CJWAWMWAJWQAKC-UHFFFAOYSA-N 449.446 4.014 5 20 IIBD Cc1c([N+](=O)[O-])cnc(Sc2nnc(NCC(F)(F)F)s2)c1Br 542520033 GVLCLJLREXYZDR-UHFFFAOYSA-N 430.231 4.038 5 20 IIBD Cc1cc(-c2noc([C@@H](C)N[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)n2)ccc1F 543543619 CDYZAALJGDBUJU-UONOGXRCSA-N 427.436 4.079 5 20 IIBD COc1cc(-c2nc(Cc3cc(Br)ccc3F)no2)cc([N+](=O)[O-])c1OC 544955684 UMLDGOWJWMWFNU-UHFFFAOYSA-N 438.209 4.154 5 20 IIBD CC(C)(C(=O)N1CCC(C(=O)c2cc(F)ccc2F)CC1)c1ccc([N+](=O)[O-])cc1F 545121945 UKNLIXIGWZYYMC-UHFFFAOYSA-N 434.414 4.411 5 20 IIBD CO[C@H](C)c1nc(Cc2noc(-c3cc(Br)cc([N+](=O)[O-])c3)n2)cs1 545823243 PNMKYYUOMAWJAN-MRVPVSSYSA-N 425.264 4.162 5 20 IIBD COc1ccc(CN(C)C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cc1OC(F)F 546534526 UNGBZRUMDVMECC-UHFFFAOYSA-N 426.391 4.280 5 20 IIBD CC(C)(C)Cc1cc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)n(-c2ccccc2)n1 549550048 BGFZPAAUDNSXJV-UHFFFAOYSA-N 445.483 4.202 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])c1ccccc1SCC(=O)N1CCc2ccccc21 550415780 YITUMOMTFSSWOT-UHFFFAOYSA-N 447.516 4.206 5 20 IIBD CCN(CC)C(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1 550570844 JDYSXBFUHZFSMI-UHFFFAOYSA-N 434.290 4.400 5 20 IIBD CCc1ccc([C@@H](NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C(C)C)cc1 551405620 WBRIVWCLCQEQMV-SFHVURJKSA-N 448.317 4.372 5 20 IIBD CCn1c(COc2ccc(Br)cc2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 555038699 NEDHDXLAGMNICY-UHFFFAOYSA-N 446.305 4.184 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C1(S(=O)(=O)c2ccccc2)CCCCC1 569149285 LBPMEVZXIHIMGI-UHFFFAOYSA-N 432.498 4.109 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@H](C)C2)c1 569941747 CVUCCSKHDYBJLY-HOTGVXAUSA-N 425.485 4.364 5 20 IIBD CSc1ccc(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)cc1[N+](=O)[O-] 575341787 FIIAVSBDURQZGW-LBPRGKRZSA-N 428.436 4.089 5 20 IIBD CC(C)(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)S(=O)(=O)c1ccc(Cl)cc1 576498319 QLSBMAMXNMEXAQ-UHFFFAOYSA-N 448.831 4.041 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 603495128 RVGLPONLXFDQFE-NSHDSACASA-N 427.404 4.006 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 608840297 OLAZOTYAOZDQOI-AWEZNQCLSA-N 441.419 4.204 5 20 IIBD Cc1cccn2c(NC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)c(-c3ccccc3)nc12 608932385 GNGJIVUTQFHYPC-UHFFFAOYSA-N 430.420 4.241 5 20 IIBD C[C@@H](c1ccncc1)N(C)C(=O)c1ccc(C(=O)N(C)[C@H](C)c2ccncc2)c([N+](=O)[O-])c1 609044947 WRMMIMRWVZKESZ-DLBZAZTESA-N 447.495 4.051 5 20 IIBD CC[C@H](NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-])c1nc(C)cs1 609191798 IEYUHOJWEBWIHN-AWEZNQCLSA-N 448.526 4.285 5 20 IIBD COc1cc(Cl)ccc1CNc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] 609350866 RHVVYBPBQHGCIZ-UHFFFAOYSA-N 439.921 4.044 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CC[C@H](c3ccco3)C2)c([N+](=O)[O-])c1 609512754 IDLDYAUEFIBLJZ-KRWDZBQOSA-N 441.509 4.397 5 20 IIBD COc1ccc(CCN(CC(C)(C)C)C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 609646776 IPNLCIKARDIFSJ-UHFFFAOYSA-N 430.501 4.352 5 20 IIBD Cc1cc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)c2cnn(Cc3cccs3)c2n1 609860128 RHYIETYVVJOCDT-UHFFFAOYSA-N 433.493 4.351 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCCN(C3CCCC3)CC2)cc1[N+](=O)[O-])c1ccccn1 609997408 OFCGDCRJFMFTBU-GOSISDBHSA-N 437.544 4.253 5 20 IIBD COc1cc(C(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)cc([N+](=O)[O-])c1OC 610176555 UGNNWVZSAKVNFX-WJOKGBTCSA-N 446.525 4.446 5 20 IIBD COc1ccccc1-c1ccc(CN(C(C)C)S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 610265615 WMZGAKUNDSUDEA-UHFFFAOYSA-N 441.509 4.265 5 20 IIBD CN(CCOC(C)(C)C)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 610862558 PRHOYQDSSPODKN-UHFFFAOYSA-N 436.512 4.264 5 20 IIBD CCCOc1cc(NC(=O)N(C)[C@H]2CCCc3c2cnn3C)c([N+](=O)[O-])cc1OCCC 610972866 FSKQKFGTGXAUTG-KRWDZBQOSA-N 445.520 4.447 5 20 IIBD COc1ccc(CN(C)[C@@H]2CCCc3c2cnn3C)cc1OCc1ccc([N+](=O)[O-])cc1 611276096 KGDQKBIKTPZMSM-OAQYLSRUSA-N 436.512 4.425 5 20 IIBD COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)C1 611333010 JIEUFYYJQSXOBX-ZIFCJYIRSA-N 445.560 4.129 5 20 IIBD O=C(Nc1ccc(CC(=O)N2CCOCC2)cc1)c1cc2ccccc2c2cccnc12 643181739 YNMLHIGZPWTABI-UHFFFAOYSA-N 425.488 4.042 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] 725936920 LLMBFTRZVSYUGZ-SECBINFHSA-N 428.775 4.027 5 20 IIBD O=Cc1ccc(OCC(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)c([N+](=O)[O-])c1 735068387 WQDLNJPXRCBVQH-WJOKGBTCSA-N 444.509 4.006 5 20 IIBD Cc1ccc(NC(=O)c2nnc(COC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)s2)cc1 736875207 KZSSXTOLEXQZQS-UHFFFAOYSA-N 432.845 4.017 5 20 IIBD COc1cc(N2CCC(OC(=O)COc3c(C)cc(C)cc3C)CC2)ccc1[N+](=O)[O-] 739380335 MQEXCQRYBRLDCN-UHFFFAOYSA-N 428.485 4.120 5 20 IIBD CC(C)(C(=O)OCC(=O)Nc1ccc(OC(F)F)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 740394486 HKPFVDOQBDFTRA-UHFFFAOYSA-N 442.802 4.309 5 20 IIBD Cc1c(C(=O)N[C@@H](C)Cc2ccc(Br)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748622311 XXLSITPUKQTWNY-JTQLQIEISA-N 436.262 4.243 5 20 IIBD O=C(Nc1ccccc1OCC(=O)N1CCOCC1)c1c2ccccc2cc2ccccc12 748680367 CWTDXUUHLWDJAR-UHFFFAOYSA-N 440.499 4.483 5 20 IIBD CC(C)(C)c1csc(C2CCN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)CC2)n1 750063498 XUKAIYOQVQNJIW-UHFFFAOYSA-N 428.558 4.118 5 20 IIBD C[C@H](C(=O)Nc1ccc(F)cc1F)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 750617218 SUCHMUTUSGDMKA-SNVBAGLBSA-N 440.244 4.021 5 20 IIBD COc1cc(CN2CCC[C@H]2C[C@H](O)c2cccs2)c([N+](=O)[O-])cc1OC(F)F 750837200 IRJRUCUOUFQNRR-ZFWWWQNUSA-N 428.457 4.354 5 20 IIBD CC(C)(C)c1ccc([C@@H](O)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1 754635052 GFGNSNXRBZOPGH-INIZCTEOSA-N 439.281 4.257 5 20 IIBD CC(C)c1ccccc1OCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 755009674 WAGWEUFUPGNYFO-UHFFFAOYSA-N 425.254 4.429 5 20 IIBD Cc1c(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c(=O)oc2ccc(Br)cc12 755201530 WYHYKMMUPDAMSF-LLVKDONJSA-N 431.242 4.263 5 20 IIBD Cc1cc(N2C(=O)c3ccccc3C2=O)ccc1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 757425557 NXCOYQLKMFRTMO-UHFFFAOYSA-N 449.850 4.287 5 20 IIBD O=C(NC[C@@H](O)c1cccc(OCc2ccccc2)c1)c1cc(Cl)ccc1[N+](=O)[O-] 762530235 ZJPAPBAWBUHISR-OAQYLSRUSA-N 426.856 4.291 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)CC2)ccc1[N+](=O)[O-] 763984606 DQZWIIVZDNBTDV-OAHLLOKOSA-N 443.456 4.217 5 20 IIBD O=C(NS(=O)(=O)CCCC(F)(F)F)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 766672759 ASMIHFZNQJZZTD-UHFFFAOYSA-N 448.444 4.148 5 20 IIBD O=C(O[C@H]1CCOC[C@@H]1OCc1ccccc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 767013992 QGTPEWYIHXVTBT-PMACEKPBSA-N 440.477 4.249 5 20 IIBD Cc1cc(-c2noc(COC(=O)c3ccc(Br)c([N+](=O)[O-])c3)n2)ccc1F 767233983 NSPCRIJFLPGTJQ-UHFFFAOYSA-N 436.193 4.212 5 20 IIBD CON(C(=O)c1sc(Br)cc1[N+](=O)[O-])[C@@H]1CCCOc2ccccc21 772389065 WDLVIADKEDVNAF-LLVKDONJSA-N 427.276 4.336 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])ccc1I)c1ccc(F)c(Cl)c1 776393221 BQDZMOAUABWUEN-UHFFFAOYSA-N 434.592 4.269 5 20 IIBD CCOc1cc(N2CCOC(C)(C)C2)ccc1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 780161994 URSJVOYAXBOKAB-INIZCTEOSA-N 442.516 4.048 5 20 IIBD CCOc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 781259043 GFVSWRHACBHFST-OAHLLOKOSA-N 430.460 4.264 5 20 IIBD Cc1cc(F)cc(C(=O)NCc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)c1[N+](=O)[O-] 781591434 YDWMRLSYFMLGOI-UHFFFAOYSA-N 429.448 4.223 5 20 IIBD O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N(Cc1ccccn1)c1ccc(Cl)cc1 781626675 UCXDIMSEGXBOBF-OAQYLSRUSA-N 436.855 4.370 5 20 IIBD O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)c1cccc([N+](=O)[O-])c1Br 782172912 VZTRSIARDYYRLG-CYBMUJFWSA-N 434.073 4.128 5 20 IIBD CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)OCc1ccc([N+](=O)[O-])c(F)c1 782489416 AXTBYQXVIRGZER-SXYIGIQMSA-N 432.492 4.134 5 20 IIBD O=C(OCc1nnc(C2CC2)n1C1CC1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 786487501 NEVXHBXAJFACOG-UHFFFAOYSA-N 434.452 4.335 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)OCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)c1F 787939137 KLWYGLMSJWJPJZ-FQEVSTJZSA-N 446.431 4.306 5 20 IIBD C[C@@H](NC1CCN(Cc2ccc(Br)cc2)CC1)c1ccc(N)c([N+](=O)[O-])c1 788629427 BIHPCARLXUJYNF-CQSZACIVSA-N 433.350 4.255 5 20 IIBD C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 793591777 SVVPEPPYNZQSKP-LIRRHRJNSA-N 447.417 4.292 5 20 IIBD C[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1OCCCO 794788830 YHYNJXIZWVSORX-AZWQULSGSA-N 449.301 4.009 5 20 IIBD CN(Cc1ccc(Cl)s1)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O 795406619 SEUSRXSHVIUREV-UHFFFAOYSA-N 430.711 4.118 5 20 IIBD Cc1cn(-c2ccc(Cl)cc2)nc1NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] 799128784 KGZUQJUEZXJOJB-UHFFFAOYSA-N 427.269 4.197 5 20 IIBD Cc1ccc(Oc2ccccc2NC(=O)COC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 800734552 SIEPHZVRNBVSPO-UHFFFAOYSA-N 436.420 4.256 5 20 IIBD O=C(OC[C@H]1CCN(C(=O)c2ccccc2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 801247916 OTKVDGFCADBUFN-HNNXBMFYSA-N 437.477 4.037 5 20 IIBD COc1cc(Cc2noc([C@@H]3C[C@H](C)CCN3C(=O)OC(C)(C)C)n2)ccc1[N+](=O)[O-] 809434565 FJDFDENDPXOBSW-CJNGLKHVSA-N 432.477 4.285 5 20 IIBD O=C(c1ccccc1)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 809807446 OPZUTANFXBGJEZ-UHFFFAOYSA-N 443.308 4.185 5 20 IIBD CCOc1ccc([C@H](O)C2CCN(C(=O)c3ccc(SC)c([N+](=O)[O-])c3)CC2)cc1 812670536 KMOSSJVQLQFFHY-NRFANRHFSA-N 430.526 4.301 5 20 IIBD CCN(C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccccc1S(=O)(=O)CC 813036227 VEHROUONFHDDAS-UHFFFAOYSA-N 431.297 4.362 5 20 IIBD O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCC(O)(Cc2cccc(F)c2)CC1 813520856 LRLCGNHSKXWOGL-UHFFFAOYSA-N 427.259 4.251 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCCN(c2ccccc2Cl)CC1 819795638 ZWUINCVAJGBSER-UHFFFAOYSA-N 428.920 4.201 5 20 IIBD COc1cc(-c2nc(-c3ccc(OCc4cccnc4)cc3)no2)c([N+](=O)[O-])cc1OC 904469117 YCSJAIAGCOZQNR-UHFFFAOYSA-N 434.408 4.303 5 20 IIBD COC(=O)c1cccc(OCc2noc(-c3ccnc(-c4ccccc4)c3[N+](=O)[O-])n2)c1 904619422 PRCSTALCPDQHCK-UHFFFAOYSA-N 432.392 4.072 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)CC1 915152149 YYPVGKFANYAFOD-UHFFFAOYSA-N 444.875 4.068 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1sc(-c2ccc(C)o2)nc1C 915468779 JSYUHIMHZUQSJS-GFCCVEGCSA-N 445.453 4.121 5 20 IIBD Cc1ccc(S(=O)(=O)c2ccc(COC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)cc2)cc1 918861542 NVHTZQBCZHPQBZ-NVNXTCNLSA-N 437.473 4.493 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1 919712221 CMRHVJNYSDMJQY-QGFLDLQWSA-N 441.915 4.301 5 20 IIBD CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NC[C@H]1CCCC[C@H]1C(C)(C)C 920040985 XGQCGDVQLLUJKU-OAGGEKHMSA-N 439.578 4.008 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NC[C@@H](O)c3cccc(F)c3)cc2[N+](=O)[O-])n1 921085281 KSQWESTVJLNVRX-MRXNPFEDSA-N 433.486 4.113 5 20 IIBD COc1ccccc1C1(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC1 1115940187 ABTVRBGGVMYZCW-UHFFFAOYSA-N 437.418 4.272 5 20 IIBD O=C(c1cc(Br)c(Br)[nH]1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 1337103755 KGCNWNPGUHJMNN-UHFFFAOYSA-N 443.095 4.253 5 20 IIBD Cc1c(I)cccc1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] 1342204610 IRGVSTQTXMNYNE-UHFFFAOYSA-N 439.253 4.214 5 20 IIBD CSCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1 1786410424 VSUHBOSZXDRVDZ-UHFFFAOYSA-N 430.530 4.060 5 20 IIBD Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])[nH]4)cc3)CCC2)c1F 1790183810 TWPFHTYLIOIQCN-UHFFFAOYSA-N 436.443 4.432 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)cc2)CCC1)c1ccc([N+](=O)[O-])[nH]1 1791532021 CQDKPFPWFQZILG-WOJBJXKFSA-N 444.491 4.474 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cc2ccoc2s1 1800525192 RWSSIZXVISNLJJ-MUJYYYPQSA-N 443.456 4.107 5 20 IIBD O=C(/C=C/C1CCCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(F)c1[N+](=O)[O-] 1800532592 YBORZTKJOTZRJA-SQSUDPNUSA-N 429.492 4.122 5 20 IIBD Cc1cccc(C)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1[N+](=O)[O-] 1804345465 MXFNPGPNGGEELV-KEADXDLLSA-N 433.508 4.177 5 20 IIBD CC(C)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 1814845359 ZQUJGJRQJJOWJI-KRWDZBQOSA-N 447.923 4.252 5 20 IIBD Cc1c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CC3CC3)n[nH]2)cc(Cl)cc1[N+](=O)[O-] 1817034494 RFKSUAVUNCFBDL-KRWDZBQOSA-N 445.907 4.386 5 20 IIBD CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)[nH]n2)cc1 1820604923 PCEWFSJREQUZTG-KRWDZBQOSA-N 437.456 4.093 5 20 IIBD CC(C)=CCCC(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(F)c3[N+](=O)[O-])sc2C1 1823474695 RRHJIWOJHASFBX-ZDUSSCGKSA-N 446.504 4.163 5 20 IIBD Cc1c(F)cccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823924941 NAEPWAYXGSCIKR-IBGZPJMESA-N 443.475 4.182 5 20 IIBD O=C(Cc1cc([N+](=O)[O-])ccc1F)N1CCC([C@H]2CCCCN2C(=O)C2=CCCC2)CC1 1826270516 KFCMQHSWKLJTOC-JOCHJYFZSA-N 443.519 4.006 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2cccs2)CC1 1827073607 TYJSCAOYAIMJLI-JHTBKMLMSA-N 443.525 4.196 5 20 IIBD O=C(/C=C/C1CCCCC1)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 1829834320 HYGXDJHQCBWWBO-VZOQVYJPSA-N 442.560 4.293 5 20 IIBD COc1cccc(Nc2nnc(SCC(=O)OCc3ccc([N+](=O)[O-])cc3)s2)c1 10596166 BDDAMCUXFYUZCI-UHFFFAOYSA-N 432.483 4.034 5 20 IIBD Cc1nc(COc2cccc(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)c2)cs1 17737217 VUDQPUYFFIBBHM-UHFFFAOYSA-N 441.465 4.043 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1cccs1 25083873 YEORBTMSPBQXSL-QGZVFWFLSA-N 425.466 4.434 5 20 IIBD CCOc1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)c([N+](=O)[O-])cc1OC 27378325 NSRBWEAKJTZYFR-CQSZACIVSA-N 425.441 4.163 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2c(C)nn(C)c2C)nc2cc3ccccc3cc2c1=O 28135889 MBUQSQOLIGIBPR-OAHLLOKOSA-N 435.553 4.039 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1OC 30477517 ZQDZVHHSNGJLPK-LBPRGKRZSA-N 442.390 4.138 5 20 IIBD COc1cccc(N2CCN(C(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)CC2)c1 31358036 PLNRJKMMEDFKPT-UHFFFAOYSA-N 446.507 4.178 5 20 IIBD O=C(CCc1ccccc1F)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 32521550 XORZRVUAIPZZRW-UHFFFAOYSA-N 425.382 4.034 5 20 IIBD Cc1cccc(-c2cc(NC(=O)CCn3cc([N+](=O)[O-])nc3C)n(Cc3ccccc3)n2)c1 61137253 ISEFKSOYLRGJEF-UHFFFAOYSA-N 444.495 4.349 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(CN(C)Cc2ccccc2)CC1 72097323 QDJWXADHYJXBDE-QGZVFWFLSA-N 444.963 4.419 5 20 IIBD Cc1ccc(S(=O)(=O)CCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)cc1 105352164 GEDZLSMMZGXMBY-UHFFFAOYSA-N 445.522 4.138 5 20 IIBD CC1CCN(c2ccc(CNC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cn2)CC1 108160425 YGHKMFLKLHRPPA-UHFFFAOYSA-N 440.547 4.102 5 20 IIBD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)ccc21 109781680 TUSUHDBNTPOURF-UHFFFAOYSA-N 447.495 4.011 5 20 IIBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nc3ccccc3s2)cc1 215967231 HJWVPRCXMWDOHE-UHFFFAOYSA-N 432.461 4.240 5 20 IIBD COc1cc(CNCc2cc(-c3ccccc3)on2)c([N+](=O)[O-])cc1OCC(F)(F)F 237236847 OXXRHOAYEZTZNX-UHFFFAOYSA-N 437.374 4.489 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCc1csc(-c2ccccc2)n1 301228292 GFUUGMJCXWSPFA-UHFFFAOYSA-N 425.438 4.327 5 20 IIBD CCOc1ccc2c(c1)[C@@H](Nc1cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c1Cl)CCO2 302462087 VHRWPNLLOQSMNA-KRWDZBQOSA-N 442.859 4.129 5 20 IIBD CC(C)n1c([C@H]2CCCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc34)C2)nc2ccccc21 303577739 QHMGOWRWSVQEJP-HNNXBMFYSA-N 432.484 4.422 5 20 IIBD Cc1c(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)nnn1CCOc1ccc(F)cc1 410250337 MPXBLZLNNUQVGQ-UHFFFAOYSA-N 441.463 4.263 5 20 IIBD C[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cnn(Cc2ccccc2)c1 425939069 YSEHWJDCBJTMNM-AWEZNQCLSA-N 447.417 4.419 5 20 IIBD O=C(NCc1ccccc1-n1ccnc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 427079307 YCALBHIPPAWQHG-UHFFFAOYSA-N 428.448 4.290 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC[C@H]4CN(C)CC[C@H]43)cc2[N+](=O)[O-])n1 428722211 OULWOOUYLMUBAV-JKSUJKDBSA-N 432.571 4.067 5 20 IIBD Cc1ccc(S(=O)(=O)C2(C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CCCC2)cc1 430647963 YNHATLBHBWUZCR-KRWDZBQOSA-N 430.526 4.176 5 20 IIBD Cc1ccc2ncc(C(=O)Nc3cc([N+](=O)[O-])ccc3Sc3cccs3)c(=O)n2c1 435445181 CWOCDLSTTIGFCH-UHFFFAOYSA-N 438.490 4.376 5 20 IIBD O=C(Nc1ccc(CCC(F)(F)F)cc1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 437040124 CIPDJEPMXDPCOB-UHFFFAOYSA-N 435.402 4.219 5 20 IIBD COc1ccc(CCNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1OC(F)F 437162659 BVSXYVVXWNJZOU-UHFFFAOYSA-N 434.317 4.196 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)c1 437816068 QLLTWFAFJRUNAF-BTYIYWSLSA-N 430.526 4.372 5 20 IIBD COc1cc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c(C(=O)N2CCCC2)cc1OC 439140014 HARHTTGPTFIGTB-UHFFFAOYSA-N 441.484 4.224 5 20 IIBD CC(C)c1ccc(C(=O)Nc2ccc(NC(=O)NC3CCN(C)CC3)cc2)cc1[N+](=O)[O-] 439155729 KELJYFZPTRBSJV-UHFFFAOYSA-N 439.516 4.186 5 20 IIBD CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 444220069 BPYSSPIRMMOTKF-QHCPKHFHSA-N 442.515 4.364 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)C1(c2cccc(Br)c2)CCCC1 444634225 HDQVNMSZNYHNJV-UHFFFAOYSA-N 443.301 4.362 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCOc3c(Cl)cccc32)c(C(F)(F)F)c1 447014906 DTQGIQZZMXQFSS-ZDUSSCGKSA-N 436.795 4.069 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(Cl)c(Br)c2)cc1[N+](=O)[O-] 447228613 CDEXWKWWGMSJNI-JTQLQIEISA-N 440.681 4.135 5 20 IIBD Cc1ccc([C@H](C)NC(=O)Nc2ccnn2-c2ccc(Br)cn2)cc1[N+](=O)[O-] 448116111 KPYZPZXDXNTJFO-LBPRGKRZSA-N 445.277 4.129 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 461428619 MHSZANUMEMAKRO-YADHBBJMSA-N 437.543 4.275 5 20 IIBD COc1cc([C@@H]2Nc3ccc(Cl)cc3C(=O)N2c2ccncc2)c([N+](=O)[O-])cc1O 463011628 PFRFRUAKHMFOJJ-LJQANCHMSA-N 426.816 4.129 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2CCS[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 463023196 HCOFPZUXEHMJSC-HXUWFJFHSA-N 428.510 4.190 5 20 IIBD O=C(CCc1nc2cc(Br)ccc2s1)NCCc1ccccc1[N+](=O)[O-] 464029837 YDBMAEOVEHXMCX-UHFFFAOYSA-N 434.315 4.259 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)c1 468064578 KNJVHNCPCFHIEG-HXUWFJFHSA-N 435.505 4.297 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 470225880 HKSNSTRYYBAAEM-MRXNPFEDSA-N 447.278 4.381 5 20 IIBD Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 470245353 AGAGFKJNCCLHIS-UPVQGACJSA-N 448.523 4.415 5 20 IIBD Cc1cc(C)n(-c2ccccc2CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)n1 472222904 OZGBBGKGCMIISG-UHFFFAOYSA-N 436.515 4.274 5 20 IIBD COc1ccc(CN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C(C)(C)C)c(OC)c1 472478002 MIIJVGJWNPVINE-UHFFFAOYSA-N 432.473 4.070 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2c(Cl)cccc2Cl)c1 476313765 FQGINCJSUGMGKI-UHFFFAOYSA-N 426.075 4.465 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NCC2(C(F)F)CC2)c([N+](=O)[O-])c1 480514388 UEAWXXZTKHKQOK-UHFFFAOYSA-N 425.457 4.267 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(NC(=O)Nc2ccccc2)CC1 480833686 MOUIAENTCYROCE-UHFFFAOYSA-N 428.514 4.133 5 20 IIBD COc1ccc(-c2ccc(NS(=O)(=O)CCc3ccccc3[N+](=O)[O-])nc2)cc1Cl 481862167 KGHANRBJSUNLMV-UHFFFAOYSA-N 447.900 4.303 5 20 IIBD CCO[C@@H]1C[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1Oc1ccccc1 482489846 WBSOFUADSDCQRC-HBMCJLEFSA-N 425.510 4.433 5 20 IIBD CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])cc1 483442967 VAPZZJXKLMVAOF-UHFFFAOYSA-N 431.514 4.496 5 20 IIBD CSc1cccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C)c(C)c2)c1[N+](=O)[O-] 486253396 QUAOTXHDFSGDCF-MRXNPFEDSA-N 431.539 4.087 5 20 IIBD O=C(CNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)Nc1cccc(F)c1 487366216 WRRLPNBOYUQRQT-UHFFFAOYSA-N 425.441 4.254 5 20 IIBD Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1C 488117273 HVLOFRCSGVPPDO-QGZVFWFLSA-N 425.466 4.112 5 20 IIBD O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H](Oc1cccc(Cl)c1Cl)c1ccccc1 492883733 AFOIFFPFNJHUAW-GOSISDBHSA-N 435.267 4.035 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)cc1[N+](=O)[O-] 493239929 TYRZCMSFERUNFQ-ZDUSSCGKSA-N 438.315 4.198 5 20 IIBD COc1cccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1O 494124900 BMWHOLLPFCMBMU-UHFFFAOYSA-N 439.390 4.183 5 20 IIBD CS(=O)(=O)c1cccc([C@H](NCCc2cccc([N+](=O)[O-])c2)c2ccc(F)cc2)c1 494989234 SJLHBMOZGLODEM-JOCHJYFZSA-N 428.485 4.059 5 20 IIBD C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(NC(=O)NC2CC2)cc1 497812411 NNCURRHPZVWZCD-LLVKDONJSA-N 436.390 4.389 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N(C)c2cc(Cl)cc(Cl)c2)cc1OC 499538176 GTCPPIXWBDDRGW-UHFFFAOYSA-N 429.256 4.212 5 20 IIBD CCOc1cc(C(=O)N2CCC(Oc3cc(C)ccc3C)CC2)c([N+](=O)[O-])cc1OC 501747583 DQCRFAARURIUMY-UHFFFAOYSA-N 428.485 4.303 5 20 IIBD CC(C)N(Cc1cccc(Br)c1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 503486257 KSRUMZGHDWQNJH-UHFFFAOYSA-N 441.347 4.140 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 505297137 ZPPPVCCDBAUTAN-IBGZPJMESA-N 444.451 4.198 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1cccc(COC2CCCCC2)c1 506714587 NHFLVPWKJLRJGX-UHFFFAOYSA-N 439.512 4.084 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 507400696 JZMHLIHJLKYJPX-IAGOWNOFSA-N 435.402 4.313 5 20 IIBD O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 508009092 ZEMWYUSPUUSODP-CYBMUJFWSA-N 430.823 4.457 5 20 IIBD Cn1cc2c(n1)CCC[C@@H]2NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 512822054 PEXXMXOSQIZBAY-SFHVURJKSA-N 439.903 4.401 5 20 IIBD CS(=O)(=O)c1cc(C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)cc([N+](=O)[O-])c1 512886637 JJJXUYHNAQXNFQ-UHFFFAOYSA-N 437.886 4.028 5 20 IIBD O=C(NCc1ccccc1Cn1ccnc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 513843615 DCMQIWMTCCDZDA-UHFFFAOYSA-N 441.491 4.382 5 20 IIBD COCCO[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C1 514068001 ZPIIQPOGCLALHV-SFHVURJKSA-N 447.919 4.128 5 20 IIBD O=C(Nc1cc(C2CC2)nn1-c1ccccc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 514505844 JQJBHTNTZHHKMH-UHFFFAOYSA-N 432.484 4.012 5 20 IIBD COc1ccccc1N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC1 514516703 IUKCXTGUOVSLOZ-UHFFFAOYSA-N 446.507 4.178 5 20 IIBD Cc1ccc(-c2csc3nc(Sc4c([N+](=O)[O-])ncn4C)n(C)c(=O)c23)cc1C 515164019 JGUREHXORSBDPO-UHFFFAOYSA-N 427.511 4.072 5 20 IIBD CCCn1c(Sc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])nnc1-c1cccc(C)c1 515164180 PKJOUEHAEQWFIX-UHFFFAOYSA-N 432.527 4.126 5 20 IIBD COc1cc(C(=O)NC[C@H](OCC2CC2)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC 515319021 PZGPHFQJYMCVFE-FQEVSTJZSA-N 434.876 4.163 5 20 IIBD C[C@@H]([C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)N1CCOCC1 517838026 AJDALAIYSWNDAH-CABCVRRESA-N 449.960 4.238 5 20 IIBD O=C(Nc1cc(C2CC2)nn1-c1ncccn1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 518700659 XACNNCVBDRCVKU-UHFFFAOYSA-N 441.451 4.444 5 20 IIBD COc1cc(CCNC(=O)Nc2cc(Cl)ccc2SC)c([N+](=O)[O-])cc1OC 518878109 WZJNZSLZQHQQFU-UHFFFAOYSA-N 425.894 4.352 5 20 IIBD O=C(CCSc1ccc(Br)cc1)NCCOc1ccc([N+](=O)[O-])cc1 521868194 CPZVZCRFVKKLNT-UHFFFAOYSA-N 425.304 4.035 5 20 IIBD CS(=O)(=O)c1ccc(-c2noc(-c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)n2)cc1 521904251 CHFRGYSQJFBUJQ-UHFFFAOYSA-N 436.449 4.459 5 20 IIBD COc1cc(C(=O)N2CC3(CCCC3)c3cc4c(cc3[C@H]2C)OCCO4)ccc1[N+](=O)[O-] 522249672 LPFGIIMMQQEBOZ-OAHLLOKOSA-N 438.480 4.403 5 20 IIBD O=C(NCc1cc(F)cc2c1OCOC2)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 522561940 OWHHFPDHANETDG-UHFFFAOYSA-N 437.427 4.143 5 20 IIBD CC(C)[C@@H](NC(=O)CSCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccccc1 522673235 XYKKHSJFKFHBBM-OAQYLSRUSA-N 443.525 4.140 5 20 IIBD Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 522816862 BEIMFTHZKPITEI-QFIPXVFZSA-N 444.451 4.105 5 20 IIBD CCc1nc(CCNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cs1 523258314 GAZAFXXSJHXNSX-CQSZACIVSA-N 425.514 4.154 5 20 IIBD COc1cc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)cc([N+](=O)[O-])c1OC 525541477 UWGQSPOGSURBSQ-CQSZACIVSA-N 436.848 4.076 5 20 IIBD CC[C@H]1CN(C(C)=O)[C@H](CC)CN1C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 530747704 WDXQNDSNFUIWFH-RTWAWAEBSA-N 438.528 4.068 5 20 IIBD O=C(c1ccc(Oc2ccccc2Cl)nc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 531071809 LMBAEDLFMWJQOY-UHFFFAOYSA-N 438.871 4.398 5 20 IIBD O=[N+]([O-])c1cnn(CCSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)c1 532587581 XSRMWOIVYXHRBT-UHFFFAOYSA-N 430.877 4.137 5 20 IIBD O=C(CC1(CC(=O)Nc2nccs2)CCCCC1)NCCc1cccc([N+](=O)[O-])c1 534768617 FCMJLCOTXQINHL-UHFFFAOYSA-N 430.530 4.079 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cc(N2CCCC2=O)ccc1Cl 536330496 WLAILBODWSUNDU-UHFFFAOYSA-N 425.775 4.229 5 20 IIBD C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 537943075 ABRKUFVJCIMBKT-VKIFBMEASA-N 448.926 4.387 5 20 IIBD CCc1cnccc1[C@@H](C)NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] 537996719 VMGGVGTYEXJSKB-CYBMUJFWSA-N 442.497 4.087 5 20 IIBD CCCOc1cc(NC(=O)N2CC[C@@H](CN3CCCC3)C2)c([N+](=O)[O-])cc1OCCC 538199164 NSLGEHQDQHNLPV-KRWDZBQOSA-N 434.537 4.122 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2scnc2-c2ccccc2)c(Br)c1 539109012 OLTDUVYOKFNXOA-UHFFFAOYSA-N 440.300 4.282 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCC3([C@@H](C)CCO)CCC3)cc2[N+](=O)[O-])n1 539460804 RDWYYHAYBNQTDV-ZDUSSCGKSA-N 435.571 4.430 5 20 IIBD COC(=O)COc1ccc(N(C)C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1 541353420 MHMCJSFPLBDNAK-UHFFFAOYSA-N 435.436 4.167 5 20 IIBD COC(=O)COc1ccc(N(C)C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cc1 541526040 LIIAIFFACLNSAW-UHFFFAOYSA-N 436.420 4.216 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCN(C(=O)c3ccsc3)CC2)cc1OC 542913303 BEKAPOPNAWIPJF-MRXNPFEDSA-N 447.557 4.048 5 20 IIBD CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 543515878 ARPBBAJKDKSLGX-SJLPKXTDSA-N 437.265 4.489 5 20 IIBD COc1ccccc1[C@@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1Cl 545364175 WLFXVAHJOAWIOC-NRFANRHFSA-N 446.912 4.466 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc(N3CCOCC3)c(F)c2)no1 546452319 KFMSLFNHFBXORW-GFCCVEGCSA-N 448.838 4.414 5 20 IIBD Cc1c(Cc2noc(CCSCc3nc(O)c4ccccc4n3)n2)cccc1[N+](=O)[O-] 546493983 QIODDXKMORCMHY-UHFFFAOYSA-N 437.481 4.002 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(NCc2cccc(Oc3cc(OC)cc(OC)c3)c2)n1 553579929 DXGFVFSLQJCRDK-UHFFFAOYSA-N 439.424 4.198 5 20 IIBD O=C(CCCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)Nc1ccc(Cl)cc1 555416079 CMRWLUJQEMRFFC-UHFFFAOYSA-N 429.782 4.416 5 20 IIBD Cc1ccc(CN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C2CC2)cc1C 556537467 XVWQXKXVXXZMID-UHFFFAOYSA-N 446.301 4.104 5 20 IIBD COC(=O)CSCc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c1 559553235 KZEJZMJFKLOWLS-UHFFFAOYSA-N 428.388 4.272 5 20 IIBD O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)NC1CCC(c2ccccc2)CC1 560182212 DBIIKLYUMBEQRO-UHFFFAOYSA-N 446.301 4.138 5 20 IIBD C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 562115779 ZRPOHYPYXDJVEN-LLVKDONJSA-N 436.419 4.054 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccnc(Oc2cccc(C)c2C)c1 562147129 JCUWUJNGUBETJN-UHFFFAOYSA-N 448.479 4.216 5 20 IIBD C[C@H](C(=O)Nc1nccn1Cc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 564205819 QZVHTTZDCRGMMV-ZDUSSCGKSA-N 429.274 4.344 5 20 IIBD O=C(NCc1nccn1-c1ccccc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 565671737 QRAKSWRWOSBOFU-UHFFFAOYSA-N 430.414 4.075 5 20 IIBD Cc1ccc(C[C@@H]2CCCN(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)C2)cc1 570653794 WJOSJQPVJKLWNS-XUZZJYLKSA-N 449.551 4.298 5 20 IIBD Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] 583134230 AGVDRTOZFPRMTM-UHFFFAOYSA-N 431.496 4.392 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CCc3ccccc3O2)C1 583844144 UDGFMIDODVCKFE-FQEVSTJZSA-N 431.286 4.276 5 20 IIBD COc1cc2c(cc1Cl)CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)CC2 590529826 FAFPEQOBKHWMOJ-UHFFFAOYSA-N 425.666 4.218 5 20 IIBD COc1cc(NC(=O)c2ccccc2[N+](=O)[O-])c(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1OC 603596952 TVJMTUMFOAQHQY-GJZGRUSLSA-N 441.484 4.267 5 20 IIBD O=C(Nc1nc(CN2CCCCC2)cs1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 603730546 NBKCRPXBTIHVMQ-UHFFFAOYSA-N 444.435 4.231 5 20 IIBD O=C(c1ccc2c(c1)CCO2)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 603811701 XREGFOPVYIEMBB-UHFFFAOYSA-N 449.532 4.216 5 20 IIBD O=C(c1cccc(Cl)c1Cl)N1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 603863289 FTCRKHHKTCLWGC-UHFFFAOYSA-N 431.279 4.412 5 20 IIBD O=C(Nc1ccccn1)[C@H]1CCCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 604106038 IYFUQCMDBWLUIT-SFHVURJKSA-N 445.479 4.224 5 20 IIBD COc1cc(OCC(=O)NC2(c3ccc(Br)cc3)CCCC2)ccc1[N+](=O)[O-] 604456349 KEJLUKNCHLHIJH-UHFFFAOYSA-N 449.301 4.330 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@@H](C)C(=O)N3CCCC[C@H]3C)cc2[N+](=O)[O-])n1 608838706 AUKXBUMPPBCTED-KGLIPLIRSA-N 448.570 4.030 5 20 IIBD COc1ccc(NC(=O)c2cc([N+](=O)[O-])cn2C)cc1OCc1ccc2ccccc2n1 609066072 DYZXWNFTGYZXIP-UHFFFAOYSA-N 432.436 4.321 5 20 IIBD O=C(Nc1nnc(Cc2ccc(F)cc2)s1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 609304942 SMHRHDCIBJRTHQ-UHFFFAOYSA-N 441.488 4.031 5 20 IIBD CC(=O)N(c1ccc(F)cc1)c1nc(CNCCOc2ccc([N+](=O)[O-])cc2)cs1 609600796 VGJFWRVOIDLVPK-UHFFFAOYSA-N 430.461 4.044 5 20 IIBD CNS(=O)(=O)c1ccc(N[C@@H](Cc2ccccc2)c2ccccc2F)c([N+](=O)[O-])c1 610131677 AOPUPVNLXMSMHJ-FQEVSTJZSA-N 429.473 4.038 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC(c4nc5ccccc5[nH]4)C3)cc2[N+](=O)[O-])C1 610766025 VNYJYMHADGQSEI-HZPDHXFCSA-N 433.512 4.193 5 20 IIBD Cc1sc(Br)cc1S(=O)(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 611445527 ILBOLPNANHZQNX-UHFFFAOYSA-N 428.289 4.076 5 20 IIBD Cn1ccnc1[C@@H](NCCCc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 611560664 PBWOBQLODLSRGW-IBGZPJMESA-N 429.318 4.403 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@H](c3ccccc3)c3nccn3C)cc2[N+](=O)[O-])C1 612634175 GFEBELPBKIXETI-PMAPCBKXSA-N 447.539 4.330 5 20 IIBD CN(CCCOc1ccccc1)C(=O)CSc1nc2cc3ccccc3cc2c(=O)n1C 613972863 IBWDEBPTORGNJD-UHFFFAOYSA-N 447.560 4.106 5 20 IIBD O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 681972042 WPRACVKXLVJOHC-OAHLLOKOSA-N 433.458 4.216 5 20 IIBD COc1cc(C(=O)OCC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1[N+](=O)[O-] 725944556 CYRQZZMHJVESOA-LJQANCHMSA-N 440.496 4.421 5 20 IIBD Cn1ccc2c(C(=O)N3CCCC[C@H]3CCOC(=O)c3cccc([N+](=O)[O-])c3)cccc21 726936513 LUIZTZCCRJIQKT-SFHVURJKSA-N 435.480 4.328 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1)c1ccc(F)cc1 728247156 MUTOMAURQYJHGZ-UHFFFAOYSA-N 446.394 4.391 5 20 IIBD O=C(Nc1ccc(OS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1)c1ccsc1 728935449 LBEWJCQJVNQRBZ-UHFFFAOYSA-N 438.870 4.330 5 20 IIBD Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 730441146 VPQWMWOSBXASHS-UHFFFAOYSA-N 432.477 4.326 5 20 IIBD CC(C)CC(=O)Nc1cccc(CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])c1 731989376 ZNTWDRCAZXNOPZ-UHFFFAOYSA-N 441.456 4.188 5 20 IIBD CS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1 735250681 HHXCYJRVFYIMOX-UHFFFAOYSA-N 430.413 4.182 5 20 IIBD O=C(NCc1ccc(-n2ccnc2)nc1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 735368776 QBPQIABXGVYBSI-UHFFFAOYSA-N 430.424 4.290 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1ccc(OCC(F)(F)F)c(C)c1 738422287 BBXRUVZHSWZRME-GFCCVEGCSA-N 427.379 4.292 5 20 IIBD O=C(Nc1ccc(COC2CCCC2)cc1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 739669230 RDFJTDMVOSFAND-MRXNPFEDSA-N 441.459 4.185 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](C(=O)NCCc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 742133444 ZIYJECWXJHCHIM-GOSISDBHSA-N 433.892 4.173 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 742645283 OIMJJWYWTPXAFP-LBPRGKRZSA-N 445.438 4.379 5 20 IIBD CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 743121948 NKEZJJDRHXBAGR-HOTGVXAUSA-N 436.468 4.478 5 20 IIBD C[C@@H](OC(=O)c1cnc2ccccc2c1C(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1 744574376 SKPKSHMNTHJPMT-LLVKDONJSA-N 433.342 4.346 5 20 IIBD C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 745566985 AYQJUTUCDWSCME-SNVBAGLBSA-N 446.328 4.268 5 20 IIBD O=C(COC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)N[C@H]1CCCc2ccccc21 747643113 VZLSQPPHINLGPY-SFHVURJKSA-N 437.477 4.069 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CCO[C@H](c2ccc(F)cc2)C1 749409382 BDGVHFZWZKFNOH-HNNXBMFYSA-N 443.656 4.364 5 20 IIBD C[C@@H](Cc1ccncc1)NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 749493214 ZDRHBVYBMCFZGF-AWEZNQCLSA-N 438.871 4.257 5 20 IIBD Cn1c(SC[C@@H](O)c2cccc([N+](=O)[O-])c2)nc2scc(-c3ccccc3)c2c1=O 749642003 VWWSIPKJJCFOMH-QGZVFWFLSA-N 439.518 4.396 5 20 IIBD O=C(Nc1ccc2c(c1)OCO2)c1ccccc1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] 750161170 QRQAXZSNYRNCFJ-UHFFFAOYSA-N 439.811 4.482 5 20 IIBD O=C(CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)Nc1cccc2ccccc12 755029756 XWUMWOSOKPYWCS-UHFFFAOYSA-N 443.257 4.271 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Oc2ccc(NC(=O)c3ccsc3)cc2)cc1[N+](=O)[O-] 755106395 MBCBOFJYMLCXSW-UHFFFAOYSA-N 432.479 4.293 5 20 IIBD C[C@H](C(=O)O[C@H]1CCCN(C(=O)c2ccccc2Cl)C1)c1ccc([N+](=O)[O-])cc1F 755670161 IEWRCDJQVMSOPE-ZFWWWQNUSA-N 434.851 4.339 5 20 IIBD C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c2ccccc2S1 755978716 JOEXKCSPULLSJA-SNVBAGLBSA-N 429.317 4.047 5 20 IIBD O=C(OCCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cnc([C@@H]2CCCO2)s1 760974306 QROHWTZWXZYIBT-ZDUSSCGKSA-N 432.376 4.157 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c(Br)s1 761293307 BGTYRTNJVNDYNL-JTQLQIEISA-N 427.276 4.220 5 20 IIBD O=[N+]([O-])c1ccc(NC(=S)NC2CCN(Cc3ccc(Br)cc3)CC2)cc1 761836542 DWFYJAZOZIGEGV-UHFFFAOYSA-N 449.374 4.308 5 20 IIBD CO[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1ccccc1Cl 764038677 VMYIKPRYCXPSTF-CQSZACIVSA-N 431.645 4.267 5 20 IIBD O=C(Cc1nc(COC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cs1)Nc1ccccc1 766219145 HSGDKSOLOCBGOE-UHFFFAOYSA-N 448.460 4.138 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N(Cc1cccc(-c2cccnc2)c1)C1CC1 769380235 SNVXPAPYWLAMOP-UHFFFAOYSA-N 427.464 4.198 5 20 IIBD COc1cc(C)c([C@H](C)OC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1C 770018006 ARSXWCBWAKZSMB-HOCLYGCPSA-N 432.498 4.191 5 20 IIBD COc1cc(Cc2noc(/C(C)=C\c3ccc([N+](=O)[O-])cc3)n2)c([N+](=O)[O-])c(OC)c1 771747541 NXPPFXFGHOTGJR-WQLSENKSSA-N 426.385 4.055 5 20 IIBD O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC(=O)c1scnc1Br 775613100 QSIYBDAYNCZNEN-UHFFFAOYSA-N 432.255 4.297 5 20 IIBD C[C@H](N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 775691432 VBKPUSRKXMWAKI-GQIGUUNPSA-N 430.936 4.075 5 20 IIBD O=C(OCc1ccc(OCC(F)(F)F)nc1)c1ccc(Br)c([N+](=O)[O-])c1 776402714 UAMDIESQOVCMEY-UHFFFAOYSA-N 435.152 4.050 5 20 IIBD CC(C)(C)OC(=O)Nc1ccccc1CC(=O)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 778786782 FRYYMUHLPZMVAU-IBGZPJMESA-N 441.484 4.306 5 20 IIBD O=C(OCc1ncc(-c2ccccc2Br)o1)c1cc2c(c([N+](=O)[O-])c1)OCO2 778897260 VXPLLHHPYUXJNM-UHFFFAOYSA-N 447.197 4.098 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(-n2ncc3ccccc32)cc1 781826765 QOANCPWMWLYVGK-UHFFFAOYSA-N 431.408 4.413 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 783830820 JTVHTYDYHGGUSA-CHWSQXEVSA-N 431.411 4.179 5 20 IIBD Cc1cnc(COC(=O)Cn2c(Cc3ccccc3)nc3ccccc32)c(C)c1[N+](=O)[O-] 789444193 SWXNWWQGMFIXGQ-UHFFFAOYSA-N 430.464 4.291 5 20 IIBD CCCCn1c(=O)c2ccccc2n2c(SCc3ccc([N+](=O)[O-])c(F)c3)nnc12 789566817 OGNIQBPEAAKPTI-UHFFFAOYSA-N 427.461 4.184 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ncc(-c3ccccc3)s2)c(C)c1[N+](=O)[O-] 790639861 SEJXPRRNNLDHOG-UHFFFAOYSA-N 434.455 4.044 5 20 IIBD CSCCONC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 793032188 UTRVPVYWCMHAFM-UHFFFAOYSA-N 429.857 4.273 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3c(C)oc4ccc(OC)cc34)CC2)ccc1[N+](=O)[O-] 794040072 FNETVDKKOYGFCM-UHFFFAOYSA-N 439.468 4.019 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)NC(C)(C)C(=O)N3CCCC3)cc2[N+](=O)[O-])cc1 794406976 LWUTWDKKBNENQD-UHFFFAOYSA-N 427.526 4.185 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2ccc3nc(-c4ccccc4)oc3c2)c([N+](=O)[O-])c1 796044510 BSMKRIWSEBVHNF-UHFFFAOYSA-N 447.403 4.207 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1 796083504 FSVMWNRIVDFOQH-HXUWFJFHSA-N 446.912 4.173 5 20 IIBD COc1ccc(C2=NO[C@@H](CNC(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)C2)cc1C 801375155 HJRUJKIYIDWDCV-QGZVFWFLSA-N 443.525 4.335 5 20 IIBD CCOC1CC(C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 805644171 WNRUPGVNKIURDV-GSQSYGFSSA-N 432.860 4.286 5 20 IIBD NC(=O)N1CCC[C@H](CNC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)C1 807814164 SPSSBXYEUNADRY-QGZVFWFLSA-N 441.531 4.454 5 20 IIBD O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCC(OCC3CCCCC3)CC2)cc1Cl 809821355 RCFLVEWIWFNYSC-UHFFFAOYSA-N 434.917 4.137 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1)NS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 810964707 KMXXTNQAGFFXHM-UHFFFAOYSA-N 446.868 4.088 5 20 IIBD CC(=O)c1cc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cs1 815284689 XWKLTEUHYTUSIX-LLVKDONJSA-N 445.478 4.166 5 20 IIBD C[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 816795338 AZNRTKSKMIQJBO-MRXNPFEDSA-N 437.540 4.495 5 20 IIBD O=C(NC1(Cc2ccc(F)cc2Cl)CCOCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 818967526 YYOZKYLQNSHTPW-UHFFFAOYSA-N 442.821 4.387 5 20 IIBD O=C(OCc1ccc(Br)cc1F)C1CCN(c2ccccc2[N+](=O)[O-])CC1 844240117 OTRFCGYLHGUFDY-UHFFFAOYSA-N 437.265 4.456 5 20 IIBD C[C@@H](OC(=O)c1cccc(OC[C@H]2CCCO2)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 844482052 JLTRSEQTGWCTRN-AUUYWEPGSA-N 439.424 4.121 5 20 IIBD O=C(Nc1ccccc1C(=O)OCCN1CCCCC1)c1ccc([N+](=O)[O-])cc1Cl 858974530 CJPOSRCJYKCYIF-UHFFFAOYSA-N 431.876 4.143 5 20 IIBD CC(C)(C)OC(=O)NC(C)(C)c1noc(-c2ccnc(-c3ccccc3)c2[N+](=O)[O-])n1 904764232 SIGDMIHFRWDOAY-UHFFFAOYSA-N 425.445 4.467 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1nc2ccc(Br)cc2s1 912979426 RTDXSESRZWELKS-UHFFFAOYSA-N 448.707 4.421 5 20 IIBD C[C@@H]1CN(Cc2ccc(CNC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc2)C[C@@H](C)O1 915307743 RGAJGDKZJJEIPF-HUUCEWRRSA-N 432.908 4.179 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 916055724 MOKPYRVVHNVWFY-BLRBJFNZSA-N 447.413 4.107 5 20 IIBD Cc1nccn1-c1ccc(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cn1 918660711 NMEZTNOXOFTXAH-UHFFFAOYSA-N 442.479 4.026 5 20 IIBD C[C@@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(=O)N(C)Cc1c(F)cccc1Cl 919210967 KMAIGSYOIBXPFC-LLVKDONJSA-N 434.807 4.337 5 20 IIBD C[C@@H](OC(=O)CCC(=O)c1ccc(F)cc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 919534724 WYHIPVYOSRLOIW-LLVKDONJSA-N 431.351 4.190 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2cccc(-n3ccnc3O)c2)cc1[N+](=O)[O-])c1ccccn1 919753685 JTZNLMXAJIDZOR-HNNXBMFYSA-N 444.451 4.307 5 20 IIBD CCSc1cc(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)ccn1 919849573 KCGNAMAWLLWZSP-GOSISDBHSA-N 443.525 4.344 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1C(=O)NCc1ccco1 920816136 NRVDSRCMNDFYOO-ZDUSSCGKSA-N 443.843 4.177 5 20 IIBD C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1N)c1cccc(OC(F)F)c1 1116948414 IPKRXACMPUAMRH-MRVPVSSYSA-N 430.205 4.032 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@H](C)N2CCN(c3ccc(F)cc3)CC2)n1 1320923539 OJHVPZAUEGMHOB-INIZCTEOSA-N 425.464 4.284 5 20 IIBD COc1ccc(CCCCCC(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc1 1321458885 ZCOHBQWQXGIJOP-UHFFFAOYSA-N 425.529 4.051 5 20 IIBD CCOc1ccc(O[C@H](C)c2nnc(-c3cc([N+](=O)[O-])ccc3N3CCOCC3)o2)cc1 1322085293 GKWVVZBVOYSOBZ-OAHLLOKOSA-N 440.456 4.020 5 20 IIBD C[C@@H](NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1nc(C(C)(C)C)cs1 1322630282 PHHYHMDJFNTUFV-SECBINFHSA-N 448.364 4.151 5 20 IIBD Nc1c(C(=O)N2CCC(c3cccc(F)c3F)CC2)cc(Br)cc1[N+](=O)[O-] 1326336597 RIWPJLYNONXABG-UHFFFAOYSA-N 440.244 4.238 5 20 IIBD COc1cc(N2CCC(OC(=O)CCc3nc4ccccc4s3)CC2)ccc1[N+](=O)[O-] 1346040089 QZTKDNIEWYFMTK-UHFFFAOYSA-N 441.509 4.358 5 20 IIBD CC(C)n1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CCC2)n1 1785750149 VPZIGXVQDHBAGI-UHFFFAOYSA-N 437.456 4.027 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1)c1cc2ccoc2cn1 1785751034 IPBHBSUMQGVUPA-UHFFFAOYSA-N 446.419 4.391 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@@H]3CC3(F)F)cc2)CCC1)c1cc(F)cc([N+](=O)[O-])c1 1789137041 VADKXUZPDUSQMS-KRWDZBQOSA-N 433.386 4.137 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@H]3CCCS3)CCC2)cc1)c1cccc(F)c1[N+](=O)[O-] 1790702331 HNZDKTQRAXDXIX-GOSISDBHSA-N 443.500 4.377 5 20 IIBD Cc1ccoc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1C)C2 1796979386 XLJNJLBHZNDYDB-MUJYYYPQSA-N 431.876 4.024 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc([C@H]2CCCCN2C(=O)C2CCCCC2)[nH]n1 1814373717 BSYQWHSNVKNUHW-HXUWFJFHSA-N 439.516 4.133 5 20 IIBD CC/C=C(\C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2F)n[nH]1 1821051351 XPQYLHVADRHOBE-QPEODSHDSA-N 429.452 4.119 5 20 IIBD Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)ccc1F 1823614860 FBYBHJWPQFGXHH-LJQANCHMSA-N 443.475 4.182 5 20 IIBD O=C(c1ccco1)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1832903307 ZCISFAHIECVLGU-CTDFXDFQSA-N 437.496 4.135 5 20 IIBD CCc1ccc(C(=O)N2CCCC23CN(C(=O)C2(c4cccc([N+](=O)[O-])c4)CCC2)C3)cc1 1844958596 FYOFSTJRXWSVLN-UHFFFAOYSA-N 447.535 4.096 5 20 IIBD C[C@@H](C(=O)N1CC2(CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1)c1ccccc1 1845739805 MZMXHSVDYUEKNV-MRXNPFEDSA-N 449.532 4.430 5 20 IIBD CCOC(=O)Nc1ccc2c(COC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc(=O)oc2c1 10749219 IAPJDCCYELZHBQ-UHFFFAOYSA-N 446.799 4.280 5 20 IIBD O=C(CSc1nnc(NCCc2ccccc2)s1)Nc1ccc([N+](=O)[O-])cc1Cl 10773006 JOVJEMRLOOHBNT-UHFFFAOYSA-N 449.945 4.485 5 20 IIBD NC(=O)c1ccc(COC(=O)/C(=C/c2ccc(F)cc2)c2cccs2)c([N+](=O)[O-])c1 16564158 QLBBBVCRUFSITL-LICLKQGHSA-N 426.425 4.178 5 20 IIBD CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)c1ccc([N+](=O)[O-])o1 20461511 ZCWUWLBJEASHFT-UHFFFAOYSA-N 446.437 4.363 5 20 IIBD C[C@H](Oc1cccc(Cl)c1)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 24979906 MARJGUJKRVBCRM-JTQLQIEISA-N 446.765 4.216 5 20 IIBD Cc1ccc(-c2nc(C(=O)N[C@@H](CC(=O)OC(C)C)c3ccccc3[N+](=O)[O-])cs2)o1 31224564 ITQKUVNNOJFYJA-HNNXBMFYSA-N 443.481 4.433 5 20 IIBD COc1ccccc1CN(Cc1cccs1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC 32405109 MIHLUUISZWYSPT-UHFFFAOYSA-N 448.522 4.065 5 20 IIBD O=C([C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)N1CCc2ccc([N+](=O)[O-])cc21 71881077 LFNBGEAXLJJUJH-QGZVFWFLSA-N 434.279 4.096 5 20 IIBD O=C(NC1CCN(Cc2ccccn2)CC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 108215621 KKAKVOCUXIFOHR-UHFFFAOYSA-N 431.496 4.128 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)CCC(=O)Nc1ccccc1[N+](=O)[O-] 111040448 AFRSFYOYOTVUMF-UHFFFAOYSA-N 425.464 4.017 5 20 IIBD O=[N+]([O-])c1c(N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)nc2sccn12 301092705 NZGIZQLTIPTWSD-UHFFFAOYSA-N 425.436 4.035 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@H](C)c3nnc4ccccn34)cc2[N+](=O)[O-])n1 302819167 VEJQMANKECITQI-GFCCVEGCSA-N 440.510 4.045 5 20 IIBD C[C@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1nc(C(F)(F)F)cs1 426901507 TXHQTSVBKPIOMB-NSHDSACASA-N 444.435 4.384 5 20 IIBD COCCN(Cc1cc(Br)cs1)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F 427733014 CWRUZWOXAQBSDQ-NSHDSACASA-N 445.310 4.337 5 20 IIBD CCCS(=O)(=O)Nc1cccc(NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1C 429069816 KVJOQKXCYFYLJJ-OAHLLOKOSA-N 434.518 4.246 5 20 IIBD O=C(O)COc1ccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1Cl 431771731 XFUIHJURTCNFKS-UHFFFAOYSA-N 440.814 4.190 5 20 IIBD O=C(c1cc(C2CC2)nc2ccc(Cl)cc12)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 434276592 NHUYLDMENAAIEE-OAHLLOKOSA-N 437.887 4.395 5 20 IIBD CC[C@@H](C)[C@@H](NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-])C(F)(F)F 436168650 FMMJPXRNYWMFIH-QLJPJBMISA-N 447.435 4.346 5 20 IIBD O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3coc(-c4ccc(Br)cc4)n3)C2)nc1 440502518 HMIYOFSQRPETAX-OAHLLOKOSA-N 444.289 4.094 5 20 IIBD CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NC3CCOCC3)cc2)cc1[N+](=O)[O-] 440747587 LWOMPQMKDTXRST-UHFFFAOYSA-N 425.485 4.053 5 20 IIBD CS(=O)(=O)c1ccc(-c2nc(CN(Cc3ccccc3[N+](=O)[O-])C3CC3)cs2)cc1 441245353 FDHFXUWCEHHBPK-UHFFFAOYSA-N 443.550 4.286 5 20 IIBD COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 443887964 XVCPESKSAGVKDE-UHFFFAOYSA-N 446.328 4.097 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCC[C@@H](Cn2ccnn2)C1 443959334 HUZFAQMTJKXNPZ-OAHLLOKOSA-N 441.875 4.184 5 20 IIBD CN(C)C(=O)c1cc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])ccc1Cl 445261512 LTHIXFVNHUVRQR-UHFFFAOYSA-N 432.683 4.026 5 20 IIBD Cn1cnc([N+](=O)[O-])c1-c1noc(CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)n1 445570238 DNSVIQGZGXICQR-UHFFFAOYSA-N 432.415 4.451 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(CCc3nnc(-c4ccc(Cl)cc4)o3)n2)c1 445575871 RZOYEKCLVXDYPI-UHFFFAOYSA-N 441.831 4.066 5 20 IIBD Cc1nc(C2(NC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])CCCCC2)no1 447192721 MREKQCSMIGBOHK-UHFFFAOYSA-N 436.468 4.455 5 20 IIBD C[C@@H]1CN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@]2(CCO[C@@H]2C)O1 448376155 VWTDBKWWPMCNPX-MPCDZSKCSA-N 448.523 4.216 5 20 IIBD CC(C)OCc1nc([C@@H](C)NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)no1 461390215 QYEOLQWFMDJSNB-OAHLLOKOSA-N 439.472 4.006 5 20 IIBD Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 464596440 DOAOZORSNNOVIE-JOCHJYFZSA-N 448.523 4.168 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N(c1ccc(F)cc1)C1CCCC1 465485222 HBTYWDASTNENSG-UHFFFAOYSA-N 427.432 4.398 5 20 IIBD Cc1ccc([C@H](Cn2ccnc2)NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c(C)c1 467221350 ZCUQUDCNQMTNKI-FQEVSTJZSA-N 427.892 4.302 5 20 IIBD CCOc1cc(C(=O)N[C@@H](C)Cc2ccccc2Br)c([N+](=O)[O-])cc1OC 470169473 YJBDZWRSQWNFFU-LBPRGKRZSA-N 437.290 4.126 5 20 IIBD CCOc1cc(NC(=O)[C@H](C)Oc2cnc3ccccc3c2)c([N+](=O)[O-])cc1OCC 470742999 FLKDRSSRPWYGMN-AWEZNQCLSA-N 425.441 4.346 5 20 IIBD COc1ccc(CNC(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)cc1[N+](=O)[O-] 471307230 MBFHZIIIKVVPLH-UHFFFAOYSA-N 437.840 4.236 5 20 IIBD CCCCN1CCc2ccc(NC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)cc21 472606808 VNINQSJIRZZQSI-UHFFFAOYSA-N 438.484 4.084 5 20 IIBD C/C=C/C[C@H](CO)NC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 474054753 JMWFBCVXQYRSNU-BAABZTOOSA-N 437.855 4.306 5 20 IIBD CN(Cc1nccn1CC(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 475216651 JWSOWYKWOHPHEW-UHFFFAOYSA-N 425.289 4.036 5 20 IIBD O=C(COc1c(Br)cccc1[N+](=O)[O-])Cc1ccc(Br)cc1 475872079 ZPUHARIJYOEAIG-UHFFFAOYSA-N 429.064 4.310 5 20 IIBD CCOC[C@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C(C)C 475890707 BVPZUAZBFNNJIA-INIZCTEOSA-N 431.455 4.007 5 20 IIBD CC(C)(C)OC(=O)[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 478178642 HSKVTQILRYRXHO-OAQYLSRUSA-N 439.512 4.010 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC[C@H]3[C@H]3CCCC3=O)cc2[N+](=O)[O-])n1 478661452 KWCKTKACTAZLFJ-CABCVRRESA-N 431.539 4.485 5 20 IIBD CC(C)n1c([C@@H]2CCCN2C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)nc2ccccc21 479945875 IGONYZZJVLBZKL-NRFANRHFSA-N 449.511 4.009 5 20 IIBD Cc1c(Cl)cccc1-n1c(SCCn2ccc([N+](=O)[O-])n2)nnc1-c1ccncc1 481247661 UGWJVYRUFZDCDM-UHFFFAOYSA-N 441.904 4.188 5 20 IIBD Cc1c(CNC(=O)C(=O)Nc2cc(Cl)ccc2OC2CCCC2)cccc1[N+](=O)[O-] 483825374 TZUSDOCMMGGIGV-UHFFFAOYSA-N 431.876 4.133 5 20 IIBD C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)c1ccc(S(=O)(=O)N(C)C)cc1 485390462 MQNSMFBRGPUGJQ-CQSZACIVSA-N 444.488 4.219 5 20 IIBD C[C@@H]1c2nncn2CCN1C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 486012740 CDYAOEXWCFNXGB-GFCCVEGCSA-N 429.889 4.208 5 20 IIBD CCc1nc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)nn1-c1ccccc1Cl 486092470 FFFAWSPNMDNKGN-UHFFFAOYSA-N 425.876 4.196 5 20 IIBD CCNC(=O)Nc1ccc(C)c(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 487637799 FJIKCHALKNMLOX-UHFFFAOYSA-N 425.470 4.420 5 20 IIBD C[C@H](NC(=O)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)c1ccc(Cl)c(Cl)c1 489102140 HLIFZCAKBKNEHZ-LBPRGKRZSA-N 447.278 4.003 5 20 IIBD O=C(CCSc1nnc(-c2ccco2)n1Cc1ccco1)Nc1ccc([N+](=O)[O-])cc1 489432353 HVDOQGWXYXXUCD-UHFFFAOYSA-N 439.453 4.209 5 20 IIBD CCN(C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C1 491030766 ZUCNSLZALMOHCU-MRXNPFEDSA-N 430.936 4.274 5 20 IIBD COc1cc(CNCc2coc(-c3cccs3)n2)c([N+](=O)[O-])cc1OCC(F)F 492146347 ZLDBXRONQHMODL-UHFFFAOYSA-N 425.413 4.254 5 20 IIBD Cn1cc(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 497231681 RPWYBUXATLQPFW-UHFFFAOYSA-N 434.422 4.048 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)ccc1Oc1cccnc1 497654279 OLMQTOSLQRFURH-UHFFFAOYSA-N 425.466 4.427 5 20 IIBD COc1ccc2c(c1)CCCCN2S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 498350039 PCIBFPJZFGTZJG-UHFFFAOYSA-N 430.404 4.154 5 20 IIBD O=C(N[C@H](c1cccc(F)c1)c1ccccn1)c1ccc(Br)cc1[N+](=O)[O-] 500118078 CGPOVIWUHLMUGV-GOSISDBHSA-N 430.233 4.411 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N(Cc1csc(Br)c1)C1CC1 502432059 QLISXRMUPKLMKY-UHFFFAOYSA-N 447.314 4.409 5 20 IIBD O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 513558416 CIRNIMKDGSIHFV-UHFFFAOYSA-N 445.397 4.088 5 20 IIBD CC(C)NC(=O)Nc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 515182454 GMXHQODCKRTVGF-UHFFFAOYSA-N 428.492 4.323 5 20 IIBD CCN(C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)[C@@H](C)c1cccc(OC)c1 515202155 NSDKJLZBGPWAPS-AWEZNQCLSA-N 441.513 4.106 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)c1 516353830 UAEMMPAUHJVXRG-UHFFFAOYSA-N 438.402 4.100 5 20 IIBD CC[C@H](C)CN(C)C(=O)c1ccccc1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C 517675309 LWSWXQQITAQVLB-AWEZNQCLSA-N 433.530 4.131 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCCN(C(=O)c3ccccc3F)CC2)cc1[N+](=O)[O-] 519962252 MKWVISIUCSYVDJ-UHFFFAOYSA-N 427.476 4.020 5 20 IIBD C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 521930698 ZGYHYYOCQSVJCD-VLIAUNLRSA-N 440.887 4.251 5 20 IIBD COc1cccc(Cc2nnc(NC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])s2)c1 522637064 GCNRAZMCGIKWII-UHFFFAOYSA-N 448.888 4.107 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cc1SC 523384933 PTWATKQBQWEYMP-CQSZACIVSA-N 432.473 4.200 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(-c3cn4ccc(C)cc4n3)cc2)cc1[N+](=O)[O-] 523933225 URWJRRUEFBDGPQ-UHFFFAOYSA-N 438.465 4.027 5 20 IIBD CC[C@@H]1CCC[C@H](NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 524849253 BIPBYRQWLYUBGH-QAPCUYQASA-N 431.514 4.094 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 525326814 PRVNNBTZGJBKIE-UHFFFAOYSA-N 429.476 4.244 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@H](c2nc3ccccc3s2)C1 534997354 CECDHGUTMOSTLO-HNNXBMFYSA-N 433.493 4.410 5 20 IIBD CSC[C@@H](CCO)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 535631964 NWUYFWYQAFVXKP-CYBMUJFWSA-N 426.947 4.243 5 20 IIBD CCc1ccc(-c2noc(C[S@](=O)Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)n2)cc1 536304531 CHZDOLRWLWCWRN-WJOKGBTCSA-N 438.465 4.311 5 20 IIBD Cc1ccc(Sc2ccc(CN3CCN(Cc4noc(C)n4)CC3)cc2[N+](=O)[O-])cc1 536677546 FZXXCLBGCRQTJE-UHFFFAOYSA-N 439.541 4.064 5 20 IIBD O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cc4ccccc4nc3N3CCCCC3)C2)nc1 537632998 DCFWQQUUWZFGJY-HXUWFJFHSA-N 432.528 4.215 5 20 IIBD COCCN(Cc1ccc(F)cc1Cl)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 538733543 BTHRIVYKRXIRGY-UHFFFAOYSA-N 432.883 4.436 5 20 IIBD COc1ccc(CN2CC[C@H](CN3CCCCC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 538752761 KUUMSOUQJJQNPO-JOCHJYFZSA-N 439.556 4.490 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 538870402 CTBBHOWMSCAPLG-UHFFFAOYSA-N 447.856 4.007 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2nc(CC(C)(C)C)cs2)ccc1[N+](=O)[O-] 539537637 DYBWRFJBVRPGHI-QGZVFWFLSA-N 430.530 4.192 5 20 IIBD COCCOc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)ccn1 539664341 MLZKIADKPGUCAA-UHFFFAOYSA-N 431.495 4.480 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CC(=O)O)c1ccc(Cl)c(F)c1 540712198 JWBCIKWAWSCOFC-QLJPJBMISA-N 426.853 4.200 5 20 IIBD Cc1cc(C(=O)NCC(=O)N(Cc2cccc(C(F)(F)F)c2)C(C)C)ccc1[N+](=O)[O-] 541090351 IUFIBGQIFYUSCO-UHFFFAOYSA-N 437.418 4.089 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)c1 541801610 GKRGLPBDBSXMFV-CQSZACIVSA-N 445.541 4.193 5 20 IIBD O=C(N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)C1(c2cncc(Br)c2)CC1 542184559 CKDCATLSMKWWSU-INIZCTEOSA-N 434.315 4.058 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 543174691 QQMJBMLCDFGEGS-SFHVURJKSA-N 440.283 4.193 5 20 IIBD CCc1noc(-c2ccc(NC(=O)c3cc(O)nc4ccc([N+](=O)[O-])cc34)c(Cl)c2)n1 543408299 DPTCBRPACUFWJN-UHFFFAOYSA-N 439.815 4.367 5 20 IIBD COCCCOc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)cc1 545012216 APHGWPCHJFGOST-UHFFFAOYSA-N 448.273 4.413 5 20 IIBD Cc1nc2ccccc2c2c(NC(=O)c3ccc(=O)n(-c4cnn(C)c4)c3)c3ccccc3n12 546154456 XQNLZFAASHAJGL-UHFFFAOYSA-N 448.486 4.086 5 20 IIBD Nc1ccc(-c2noc([C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)n2)cc1[N+](=O)[O-] 546966148 URRMUPIQLRLEDA-LLVKDONJSA-N 434.239 4.054 5 20 IIBD Cc1ccc(-c2noc(Cc3csc(NC(=O)c4cccs4)n3)n2)cc1[N+](=O)[O-] 546981943 DWWHZXMYNRILTE-UHFFFAOYSA-N 427.467 4.314 5 20 IIBD CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 552497267 BUVKFLKHKNQHEI-GOSISDBHSA-N 432.885 4.469 5 20 IIBD O=C(NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)c1ccc([N+](=O)[O-])cc1Cl 555109648 XXMCSSCBEAYXCF-UHFFFAOYSA-N 440.765 4.333 5 20 IIBD COc1cc(OC)cc(C2(F)CCN(Cc3cc(OC)c(OC)cc3[N+](=O)[O-])CC2)c1 559072546 LHSZMFXRUVKCHL-UHFFFAOYSA-N 434.464 4.090 5 20 IIBD O=C(Nc1ccc(F)cc1OC1CCOCC1)c1ccc([N+](=O)[O-])cc1Br 561127474 SZLNERSVPGNKFL-UHFFFAOYSA-N 439.237 4.307 5 20 IIBD Cn1cc(-c2ccc3c(c2)C(C)(C)CN3CC2CN(Cc3csc([N+](=O)[O-])c3)C2)cn1 564669692 ZQVUHTOQUOIWIT-UHFFFAOYSA-N 437.569 4.286 5 20 IIBD COc1ccc(C[C@@](C)(O)CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1OC 566626899 RYRLPDUYTYJTLA-HSZRJFAPSA-N 442.537 4.424 5 20 IIBD O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccc(CN2CCSCC2)cc1 574817716 QJMFNBNNFMTEEI-UHFFFAOYSA-N 436.331 4.158 5 20 IIBD NS(=O)(=O)c1ccc(NCc2ccc(-c3ccc(Cl)cc3)cc2F)cc1[N+](=O)[O-] 600847533 VBVQAJWVJHHSHR-UHFFFAOYSA-N 435.864 4.314 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 603569697 BKWALOGRZINBCZ-UHFFFAOYSA-N 431.492 4.259 5 20 IIBD C[C@@H](c1nnc(SCCOc2ccccc2[N+](=O)[O-])n1-c1ccc(F)cc1)N(C)C 603897739 NECWVZUNBYWVBQ-AWEZNQCLSA-N 431.493 4.108 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604276163 GOVXCSLVCAFCRE-TXEJJXNPSA-N 427.345 4.295 5 20 IIBD Cc1ccc(-c2csc(NC(=O)CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])n2)s1 609391509 VADZQZRMJAVAJO-UHFFFAOYSA-N 436.902 4.110 5 20 IIBD O=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 609647119 WAUSMTVXYBEKHC-KRWDZBQOSA-N 448.445 4.223 5 20 IIBD C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 609853528 NZRKDQDXNLRHDS-CYBMUJFWSA-N 430.917 4.377 5 20 IIBD Cc1c(Cl)ccc2c1N(C(=O)c1nn(-c3ccccc3[N+](=O)[O-])c(C)cc1=O)CCC2 609870611 NCXIUGJPXPJZHV-UHFFFAOYSA-N 438.871 4.004 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccccc1CN(C)C(=O)c1cccs1 609984900 JWSGLJDSIMPDKC-UHFFFAOYSA-N 445.522 4.038 5 20 IIBD CCn1nnnc1-c1cccc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 609995912 PUGGHGOCFGWCGI-UHFFFAOYSA-N 443.467 4.133 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCO[C@H](C(F)(F)F)C3)cc2[N+](=O)[O-])cc1 610067325 HINXTWFDBSYIFE-KRWDZBQOSA-N 426.416 4.458 5 20 IIBD C[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CN(Cc2ccccc2)CCO1 610162253 LPOAZTWWTAVHAH-VGSWGCGISA-N 438.553 4.097 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1C 610800166 LQURODVVBRVHAI-GDNZZTSVSA-N 448.385 4.399 5 20 IIBD Cn1ccnc1[C@@H](N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1cccc([N+](=O)[O-])c1 611560915 FNBMLCABGWDDOQ-PXNSSMCTSA-N 445.445 4.305 5 20 IIBD Cc1c(C(=O)N2CCN(c3ncnc4ccc([N+](=O)[O-])cc34)CC2)sc2ccccc12 611707797 REMHBNRMYIKFPL-UHFFFAOYSA-N 433.493 4.024 5 20 IIBD O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 612480874 JSWJLXKXOIJMRB-SFHVURJKSA-N 445.585 4.398 5 20 IIBD CCOc1c(Cl)cc(-c2noc([C@@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1OC 612867641 GZDORXUWMZPNMR-LLVKDONJSA-N 446.847 4.197 5 20 IIBD O=C1CCCN1c1cc(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)ccc1Cl 612958824 IXOVEKYFDFDXJE-UHFFFAOYSA-N 437.843 4.497 5 20 IIBD CC(C)[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)N[C@@H]1CCCC[C@H]1C 725985642 LXXWDJSJTJAWIF-JLZZUVOBSA-N 441.322 4.234 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(N3CCC[C@@H](c4nc(-c5ccc(F)cc5)no4)C3)cc2N1 726594887 ONBBSDSPWRURHB-OAHLLOKOSA-N 437.431 4.053 5 20 IIBD COc1ccc2c(c1)C(=O)N(C)[C@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c1)N2 726605567 UBTFTSVPVIGTTH-HSZRJFAPSA-N 449.463 4.387 5 20 IIBD Cc1c(C(=O)Nc2cc(C(=O)N3CCCCC3)ccc2Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] 726925381 LZWPFJCSLXXDTC-UHFFFAOYSA-N 446.847 4.343 5 20 IIBD COc1ccc(CC(=O)OCC(=O)Nc2ccccc2Oc2ccccc2)cc1[N+](=O)[O-] 727882068 DEIWUHPQVVYHHD-UHFFFAOYSA-N 436.420 4.120 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@H]1CCc2c(Cl)cccc21 732507110 OAFWCXOKVFGMFR-OALUTQOASA-N 448.928 4.330 5 20 IIBD C[C@](CO)(NCc1ccc(Br)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 734844859 BLCDKORVVNPDLI-MRXNPFEDSA-N 433.224 4.373 5 20 IIBD C[C@@]1(c2ccc(Br)s2)NC(=O)N(Cc2cc([N+](=O)[O-])ccc2Cl)C1=O 735415032 AWAXYJHYXQKMDX-HNNXBMFYSA-N 444.694 4.039 5 20 IIBD C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 742308017 BBEOXTHNILZNAQ-XJKCOSOUSA-N 439.331 4.313 5 20 IIBD COc1cc(NC(=O)CCSc2nc3ccc([N+](=O)[O-])cc3s2)cc(OC)c1OC 743251537 SNSNLWMCWDPIQM-UHFFFAOYSA-N 449.510 4.351 5 20 IIBD COCCCC(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 744284213 QMPXEPBACGRPJM-UHFFFAOYSA-N 427.240 4.486 5 20 IIBD C[C@@H](OC(=O)[C@H](Oc1ccccc1)c1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 744789268 BZKUJTDDMDVGRU-QVKFZJNVSA-N 438.411 4.424 5 20 IIBD Cc1nc(-c2cccc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c2)cs1 745672635 HELMLLPWRILWHY-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(Cl)cc1 747123221 FTTBODMDXFDYNU-SNVBAGLBSA-N 430.766 4.301 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc(Cl)cc(Br)c1 747129254 KQFXXDISEHQSNK-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD CNC(=O)c1cc(Oc2cc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])ccc2C)ccn1 748564309 VVYSAOVGFZPPRO-UHFFFAOYSA-N 440.843 4.356 5 20 IIBD COc1cc(/C=C/c2ccnc(-c3cccc([N+](=O)[O-])c3)[n+]2[O-])ccc1OCC(F)(F)F 750904991 KLLSHVBZECDPMU-FNORWQNLSA-N 447.369 4.410 5 20 IIBD COC[C@H](C)n1c(SCC(=O)Oc2ccc(C)cc2[N+](=O)[O-])nnc1-c1ccccc1 751062057 BUSTZFGDQJZWQY-HNNXBMFYSA-N 442.497 4.067 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nc(-c2ccc(Cl)cc2)n1 751856634 SYSSURAIQLIXJY-UHFFFAOYSA-N 440.843 4.118 5 20 IIBD CC(C)CNC(=O)c1ccccc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754976103 GWRMUDSCNKSRQY-UHFFFAOYSA-N 438.253 4.135 5 20 IIBD CC(=O)c1cccc(COC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)c1 755106046 WQKKQHZTCMFSPA-UHFFFAOYSA-N 446.459 4.451 5 20 IIBD COc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)Cc2cccc([N+](=O)[O-])c2C)c1 755210144 WSHTUVJTKQDWRJ-XMMPIXPASA-N 434.492 4.217 5 20 IIBD O=C(OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cncc(-c2ccc(Cl)cc2)c1 758111579 QPAJSGYJBBUJKF-UHFFFAOYSA-N 437.839 4.056 5 20 IIBD CCOC(=O)Nc1nc2ccc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)cc2s1 758884286 HAPMGBWXZOWMSD-UHFFFAOYSA-N 439.453 4.435 5 20 IIBD Cc1n[nH]c(C)c1[C@H](C)CC(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 759815700 ONSHGJLJRARZLA-SKDRFNHKSA-N 442.394 4.018 5 20 IIBD CCC[C@@H](NC(=O)c1cc(F)cc(C)c1[N+](=O)[O-])C(=O)Nc1cccc(N2CCCC2)c1 760492427 LSBRNKIEKKPBFM-HXUWFJFHSA-N 442.491 4.180 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CCO[C@@H](c2cccc(Cl)c2)C1 760873514 OVACSXKJCSKUJO-OAHLLOKOSA-N 425.666 4.224 5 20 IIBD Cc1oc(-c2ccccc2)nc1Cc1noc([C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 761497663 GVTPLGQPNFAXAN-LJQANCHMSA-N 431.408 4.398 5 20 IIBD O=[N+]([O-])c1ccc(I)c(-c2nc([C@@H]3CCOc4ccccc43)no2)c1 762056674 FRNAKMGXTOWAFC-GFCCVEGCSA-N 449.204 4.164 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@H](c2nc(CCc3ccc(OC(F)F)cc3)no2)C1 762122555 NUINHNPVFKBQKU-KRWDZBQOSA-N 430.367 4.230 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)c1noc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 762387244 LRKLAIDRIYJOIJ-AWEZNQCLSA-N 435.190 4.051 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H]1CC[C@@H]2SCCS[C@H]21 762682900 TXZCTRJDKUXSQX-DGFSRKRXSA-N 438.518 4.202 5 20 IIBD O=C(Nc1ccc2cc(Br)ccc2c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 763713919 MVAAYGUZMUGICA-UHFFFAOYSA-N 438.241 4.344 5 20 IIBD Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 763932242 LBICWWBCEAIDHZ-BEFAXECRSA-N 442.516 4.057 5 20 IIBD CC(=O)c1cccc(NC(=O)[C@@H](OC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C(C)C)c1 766218989 DDOQEEKZSVAZDP-NRFANRHFSA-N 435.436 4.166 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1CSc1nnc(-c2cnccn2)n1Cc1ccco1 768415082 NCJBHMWJLUTBRB-UHFFFAOYSA-N 428.861 4.230 5 20 IIBD COc1cc(COC(=O)Cn2cc(-c3ccccc3)c(C)n2)c([N+](=O)[O-])cc1OC(F)F 769330003 NZYPLAUWCDFKIP-UHFFFAOYSA-N 447.394 4.120 5 20 IIBD Cc1cc(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nn1-c1ccc(Cl)cc1 778145954 FIEIJVPEUVZNAK-UHFFFAOYSA-N 439.815 4.149 5 20 IIBD CCCC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc1 778168517 AVLOJYXOKNELHS-CYBMUJFWSA-N 434.395 4.240 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(C(=O)NCc2ccccc2)cc1 781627278 SZENYVHAQHXBAZ-UHFFFAOYSA-N 448.435 4.004 5 20 IIBD CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc([N+](=O)[O-])s2)NC(=O)N1CC1CC1 782248206 NXHCTEKEVKHSGJ-IBGZPJMESA-N 426.498 4.354 5 20 IIBD CC(C)(C)Oc1c(F)cc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1F 782680798 KSVDMODRVKUCIP-UHFFFAOYSA-N 434.443 4.404 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2[C@@H](NC(=O)OC(C)(C)C)CCC[C@H]2C1 784551578 HVTLOHHSSBKBJV-QGTPRVQTSA-N 449.573 4.472 5 20 IIBD C[C@@H](OC(=O)c1ccnc(Cl)c1I)c1ccccc1[N+](=O)[O-] 786892183 XHHBBPGOCWXEIO-MRVPVSSYSA-N 432.601 4.166 5 20 IIBD CC(C)Nc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cn1 787252322 LYQUIOOLYFEXDI-NSHDSACASA-N 440.378 4.013 5 20 IIBD O=C(OCc1ccc(Cl)nc1C(F)(F)F)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 787674600 YVIMLBXKVNCTRA-UHFFFAOYSA-N 426.738 4.205 5 20 IIBD COC(=O)c1csc(-c2cccc(CNC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c2)n1 790625318 SITSGUYMZIOZOS-UHFFFAOYSA-N 446.872 4.480 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)cc([N+](=O)[O-])c1C 791689179 OYAGYGUMFCNUMR-ZIAGYGMSSA-N 426.425 4.081 5 20 IIBD O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1CN1CCSC[C@@H]1c1ccccc1 795429843 VKEZBVMFIQOKKP-GOSISDBHSA-N 448.342 4.061 5 20 IIBD CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] 800213945 CMVDKOPWEPWNIA-UHFFFAOYSA-N 444.702 4.334 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 801895202 GPKUSFTVFXNZHP-HWPZZCPQSA-N 444.337 4.203 5 20 IIBD C[C@@H](Nc1ccc(C(=O)OCC2CCN(CC(F)F)CC2)cc1[N+](=O)[O-])c1ccccn1 810962058 MXZMATXUPYBBEM-OAHLLOKOSA-N 448.470 4.297 5 20 IIBD CC(C)(C)OC(=O)NCCC[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1 812397289 LNDFFSZBCPPDMX-IBGZPJMESA-N 429.473 4.076 5 20 IIBD O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cc(O)nc2cc(F)ccc12 813304685 HMMSJFFQQDUQJS-UHFFFAOYSA-N 425.397 4.468 5 20 IIBD O=C(N[C@@H](CCO)c1ccc(Cl)cc1)c1cc(F)cc([N+](=O)[O-])c1Br 813695067 KGQXHHYFGSXRTA-ZDUSSCGKSA-N 431.645 4.003 5 20 IIBD C[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N2CCCOC2=O)cc1 814318998 LFCZQPUSQNHOOZ-CQSZACIVSA-N 446.891 4.198 5 20 IIBD O=C(NCc1ccco1)c1cccc(COC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c1 815512202 MALFXTAQKBYWPI-UHFFFAOYSA-N 448.353 4.494 5 20 IIBD CC(C)C(=O)Nc1cc(C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)ccn1 816091371 UIERTBVWEPXYTO-UHFFFAOYSA-N 426.454 4.065 5 20 IIBD Cc1ccc(-n2ncc(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3F)c2C(C)C)cc1 914978084 JEZKDWAFELMYPY-UHFFFAOYSA-N 440.431 4.147 5 20 IIBD C[C@@H]1CCCN(c2nnc(SCc3cc(F)ccc3[N+](=O)[O-])n2Cc2ccco2)C1 915793986 FEGKZSPVLAHNKB-CQSZACIVSA-N 431.493 4.495 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1OC(=O)/C(=C/c1cccs1)n1nnnc1-c1ccccc1 916403733 UHSVDBHHUFIDNM-AQTBWJFISA-N 433.449 4.222 5 20 IIBD Cc1ccc(Nc2nn(CN3CCN(c4cccc([N+](=O)[O-])c4)CC3)c(=S)s2)cc1 917457914 YJQSYFLBNJJSQF-UHFFFAOYSA-N 442.570 4.414 5 20 IIBD O=C(Nc1cccc(COc2ccccc2)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 917855346 RSRXTOWEWJBPLV-UHFFFAOYSA-N 433.464 4.263 5 20 IIBD O=C(c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CCC[C@@H]1C1CCCC1 917874019 ZOFFTPUUQRKNBC-OAQYLSRUSA-N 444.509 4.157 5 20 IIBD Cc1sc(=O)n(CC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2OCc2ccccc2)c1C 919985689 SNRGVSPFYXYJLO-UHFFFAOYSA-N 447.900 4.306 5 20 IIBD COc1cc(NC(=O)c2ccccc2)c(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1OC 920740426 VFLQTPAUSQCINB-OAHLLOKOSA-N 449.463 4.355 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 920906867 JTMUOLBRZUUWQB-QHCPKHFHSA-N 432.436 4.139 5 20 IIBD O=C(Nc1ccnn1Cc1ccsc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 1115849697 DGLCSQNFRVMOMM-UHFFFAOYSA-N 426.376 4.095 5 20 IIBD O=C(OCC(=O)c1cccs1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 1116103336 DQYZJEVCQMCAQL-UHFFFAOYSA-N 426.237 4.189 5 20 IIBD CCCCN(Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@H]1CCS(=O)(=O)C1 1116439241 OWNQRMWZMCSZLR-HNNXBMFYSA-N 426.922 4.297 5 20 IIBD COc1ccc(C(NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)c2ccc(OC)cc2)cc1 1318229857 NLETZXZYQQGTDS-UHFFFAOYSA-N 436.464 4.069 5 20 IIBD COc1ccc(C(=O)O[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1-c1ccccc1 1318374767 VMIZBIXOVSQPQS-JOCHJYFZSA-N 432.432 4.233 5 20 IIBD COc1cc([C@H](C)NCc2ccc([N+](=O)[O-])cc2Br)cc(OC)c1OC 1320407825 GJABRFPACPXEIO-NSHDSACASA-N 425.279 4.234 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 1322782245 XAASWYFVWFBDEJ-XCLFUZPHSA-N 442.903 4.023 5 20 IIBD CCOC(=O)c1cc(-c2nnc(-c3ccc(OC(C)C)c(OC)c3)o2)cc([N+](=O)[O-])c1 1328292354 RLQRWUVGNPRWKF-UHFFFAOYSA-N 427.413 4.284 5 20 IIBD Cc1cc(F)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)c1 1823614995 JOEBHGMXOWTVQL-LJQANCHMSA-N 443.475 4.182 5 20 IIBD C[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1)c1ccccc1 1823616362 SDNMHXBABLKALD-XLIONFOSSA-N 439.512 4.225 5 20 IIBD Cc1c(Cl)cccc1C(=O)N1CCCC12CN(C(=O)c1c(F)ccc([N+](=O)[O-])c1C)C2 1841157903 RACIQOUPJBZEJK-UHFFFAOYSA-N 445.878 4.135 5 20 IIBD Cc1cc(CSc2ccccc2C(=O)OCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)on1 11344856 QTHCGRDDQLKFKG-UHFFFAOYSA-N 441.465 4.003 5 20 IIBD C[C@H](OC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 11468080 YYVMTMXYHDZHMY-JTQLQIEISA-N 430.766 4.380 5 20 IIBD CCNc1ccc(C(=O)OCc2nnc(-c3c(-c4ccccc4)noc3C)o2)cc1[N+](=O)[O-] 16743326 RHJRHXYBISUNMC-UHFFFAOYSA-N 449.423 4.397 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 16926100 QOJSRPDBFWKXNN-LBPRGKRZSA-N 447.875 4.324 5 20 IIBD Cc1ccc(OC[C@@H](O)COc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c(C)c1 27214510 CSTGOAGQASOUBK-NRFANRHFSA-N 436.464 4.283 5 20 IIBD Cc1cc(Cl)ccc1OCC(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 28670012 UIMHTIOZIYJAIV-LLVKDONJSA-N 427.240 4.159 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)cc([N+](=O)[O-])c1 31773120 OURSZTJHRLQJLM-UHFFFAOYSA-N 449.250 4.185 5 20 IIBD Cc1ccccc1-n1nc(C)c(CN(C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1C 63559717 VDHGRYGCWVFGGD-UHFFFAOYSA-N 435.528 4.475 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 64420966 RJQQFXNSBLRYAE-AWEZNQCLSA-N 431.876 4.280 5 20 IIBD CCc1cc(Sc2nnc(-c3ccncc3)n2CC)nc(-c2ccc([N+](=O)[O-])cc2)n1 64905323 VXTUPFWYTUEJJZ-UHFFFAOYSA-N 433.497 4.439 5 20 IIBD CCc1cc(N[C@H](C)c2ccc(OCCO)c(OC)c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 64914924 BROPZYRORKSBHP-OAHLLOKOSA-N 438.484 4.167 5 20 IIBD CCCOc1ccc([C@H](C)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1OC 107907015 VRJPSIPXAOFMSE-INIZCTEOSA-N 427.501 4.483 5 20 IIBD COC(=O)c1cc(OC)ccc1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 108995844 MJDPTAOVKUJXPA-UHFFFAOYSA-N 444.387 4.140 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cccc(-c3nccs3)c2)ccc1[N+](=O)[O-] 110322779 SNBQLBHRDMKSNE-LJQANCHMSA-N 436.493 4.270 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 111039892 WGAOZMMHEKJKDQ-UHFFFAOYSA-N 436.447 4.239 5 20 IIBD O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 195715144 HRQPVMRQHYEQFK-UHFFFAOYSA-N 428.452 4.233 5 20 IIBD CCOc1c(Cl)cc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1OC 237036750 JAQAUUMMFKWSMV-UHFFFAOYSA-N 430.892 4.346 5 20 IIBD CS(=O)(=O)c1ccc(N2CCC[C@@H]2c2cc(F)cc(Br)c2)c([N+](=O)[O-])c1 302212533 MXAZHOPVLQQOHW-OAHLLOKOSA-N 443.294 4.241 5 20 IIBD COc1cccc([C@H]2C[C@H](O)CN2c2c([N+](=O)[O-])cnc3ccc(Br)cc23)c1 409653365 QLTLKBVAMZZBDL-KBXCAEBGSA-N 444.285 4.226 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)Nc1c(C)c(C)nn1-c1ccc(Br)cc1 427603555 KRLDWKHLZQRYNI-UHFFFAOYSA-N 445.273 4.421 5 20 IIBD C[C@H](CCCC(F)(F)F)NC(=O)c1ccc([N+](=O)[O-])cc1I 427758672 JWBDXMJALCHEFH-MRVPVSSYSA-N 430.164 4.050 5 20 IIBD O=C(c1c(-n2cccc2)sc2c1CCSC2)N1CCOc2ccc([N+](=O)[O-])cc2C1 427991169 XSSDXXTWSZOIJQ-UHFFFAOYSA-N 441.534 4.271 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] 430892962 HGBRJWKBIBMRJA-UHFFFAOYSA-N 448.317 4.040 5 20 IIBD CC(C)(NC(=O)Nc1ccc(N2CCOCC2)c2ccncc12)c1ccc([N+](=O)[O-])cc1 431071579 VLYDUUKSKSLJMB-UHFFFAOYSA-N 435.484 4.036 5 20 IIBD Cc1nn(CC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)c2ccc([N+](=O)[O-])cc12 432249136 CLTSCHAXZVTMTQ-SFHVURJKSA-N 435.465 4.285 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)s1 433163070 ALTGDNQXMCADEC-SFHVURJKSA-N 437.587 4.199 5 20 IIBD Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 433390959 QCYQNQAEGZXSTH-UHFFFAOYSA-N 427.411 4.470 5 20 IIBD Cc1cc(Br)cc(Cl)c1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] 436001186 FXVVCFHDCPGALX-UHFFFAOYSA-N 433.711 4.304 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1 437488924 XUEKGRDNEJNDOQ-KOMQPUFPSA-N 432.473 4.065 5 20 IIBD NC(=O)N1CCc2cc(NC(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])ccc21 442630208 UJEPUGDWMRTAEE-UHFFFAOYSA-N 434.477 4.440 5 20 IIBD COc1ccc([C@@H](NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccccc2OC)cc1 443470993 XUVGAYOWRUZCMZ-XMMPIXPASA-N 435.480 4.238 5 20 IIBD O=C(N[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1)c1cc2ccccc2o1 446630010 CQDXRIZUZDDLEW-CQSZACIVSA-N 427.844 4.029 5 20 IIBD O=C(c1ccc(OCc2cn3ccccc3n2)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 446880431 CWQABQVIJLXGBA-UHFFFAOYSA-N 428.448 4.020 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 446899290 QGRVIYCWUSEYCO-HXUWFJFHSA-N 427.464 4.328 5 20 IIBD C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)c1nc(C(C)(C)C)cs1 447037945 MGZXRMCOWRSMIA-SECBINFHSA-N 448.364 4.151 5 20 IIBD COC(=O)[C@@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(Br)c1 447398562 SGWRSEFHPSMEOD-HNNXBMFYSA-N 447.207 4.380 5 20 IIBD CC[C@H]1c2ccsc2CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 461582968 UZZPQKCQVMMSQC-KXBFYZLASA-N 439.541 4.465 5 20 IIBD CC(C)N(Cc1ccc(F)cc1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 461584226 GSERWIUWXHUKEI-GOSISDBHSA-N 439.491 4.444 5 20 IIBD Cc1cc(N2CC[C@@H](N(C)Cc3noc(C(C)C)n3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] 461960428 RJJISXVNJDXMQC-CYBMUJFWSA-N 427.427 4.139 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(S(=O)(=O)N(C)C(C)C)ccc1C 462425098 AECBLSJIRPIJBT-GOSISDBHSA-N 447.557 4.140 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 462520035 ZTOIPWPYGMIRBD-CVEARBPZSA-N 449.287 4.239 5 20 IIBD O=C(NCc1nn(-c2ccccc2)c2c1CCC2)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 463272311 OVEDKHGGOPSUPH-UHFFFAOYSA-N 430.386 4.218 5 20 IIBD CC[C@@H](C)N(C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)c1ccc(C(N)=O)cc1 463602298 VOPCMWJRKRSBOZ-OAHLLOKOSA-N 449.511 4.001 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 463956172 XJDLCAPFMTUECG-UHFFFAOYSA-N 427.486 4.302 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1Cc2ccccc2C[C@H]1c1ccccc1 464213447 MWIBFCYNJVVQTG-SBUREZEXSA-N 429.476 4.039 5 20 IIBD Cc1c(F)cccc1NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 467341126 MEVMLNAOZNMPAF-UHFFFAOYSA-N 426.370 4.415 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccc(F)cc2F)C(C)C)cc1OC 468620747 LHFRYQGTXDSNRK-FQEVSTJZSA-N 438.427 4.034 5 20 IIBD Cc1cccc(NCCNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)n1 469573401 WLYAAHGIOLZVBF-UHFFFAOYSA-N 439.903 4.406 5 20 IIBD Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 470265677 GQLKZWUMBLJEJV-CUNXSJBXSA-N 426.516 4.500 5 20 IIBD CN(C)CC1CCN(c2ccccc2NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 471224269 NUWAKPVEXDYUNR-UHFFFAOYSA-N 448.470 4.227 5 20 IIBD Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 472827381 RPKFSKGYIHUHFK-INIZCTEOSA-N 430.468 4.362 5 20 IIBD O=C(Nc1cc2c(cc1NC(=O)c1cccs1)OCCO2)c1cc(F)cc([N+](=O)[O-])c1 473462102 MSSFIMZDFMWBCC-UHFFFAOYSA-N 443.412 4.071 5 20 IIBD CCOC(=O)[C@H](NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@@H]1CCCOC1 475138380 MITQTDKFEPHDMW-IIBYNOLFSA-N 448.903 4.488 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 477255755 XGLWLZVDFDNCIA-AWEZNQCLSA-N 432.832 4.206 5 20 IIBD CCc1cccc(CC)c1-n1c(SCCn2ccc([N+](=O)[O-])n2)nnc1-c1cccnc1 481235502 OJNRCZNXNRAYDO-UHFFFAOYSA-N 449.540 4.351 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(C(=O)NCC(C)C)c(Cl)c1 481986070 ZXIGGGWTEOXQKE-UHFFFAOYSA-N 439.921 4.052 5 20 IIBD C[C@H](NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)c1nc[nH]n1 483122992 ZJUISUGULFCNIA-LERPTODRSA-N 434.481 4.131 5 20 IIBD Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1-c1ncco1 483399674 WJKBTXVCJLXVIA-HXUWFJFHSA-N 434.452 4.110 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N[C@@H]2CC[C@@H](c3ccccc3F)C2)cc1[N+](=O)[O-] 484876361 QMRDSSXRWWJMEQ-UKRRQHHQSA-N 441.488 4.080 5 20 IIBD CCCc1noc2nc(C3CC3)cc(C(=O)Nc3cc(C(=O)OC)cc([N+](=O)[O-])c3C)c12 485961342 WSAFWZWLAKQXHB-UHFFFAOYSA-N 438.440 4.308 5 20 IIBD C[C@@]1(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCCCN1C(=O)c1ccccc1 486719581 HKFRIDJSWSPAJL-NRFANRHFSA-N 449.429 4.315 5 20 IIBD O=C(c1ccc(N2CCCc3ccccc32)cc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 487048429 SATMILZCBXSFTQ-UHFFFAOYSA-N 431.496 4.353 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3cc(C)c(F)cc3Cl)CC2)ccc1[N+](=O)[O-] 487451550 XCJJVWLYSZQVCF-UHFFFAOYSA-N 436.871 4.449 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 488213567 DPNDLNDJOCVPKP-UHFFFAOYSA-N 443.525 4.212 5 20 IIBD Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCCN1c1ncc([N+](=O)[O-])cc1Cl 500871878 VAZSAQOMVQLKBS-GOSISDBHSA-N 431.855 4.163 5 20 IIBD Cc1ccc(OC2CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)CC2)cc1C 501683235 OEKURXLOMZTPNQ-UHFFFAOYSA-N 437.540 4.498 5 20 IIBD COc1cc(CSc2nnc(-c3ccccc3)n2C)c([N+](=O)[O-])cc1OCC(F)F 502868521 FHSJUKQMJUJXCZ-UHFFFAOYSA-N 436.440 4.335 5 20 IIBD Cc1c(COc2ccccc2)cccc1NC(=O)C(=O)N(C)CCc1ccccc1[N+](=O)[O-] 506734194 VEEUQCNCWSYEGW-UHFFFAOYSA-N 447.491 4.122 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2ccc(Sc3nncn3C)cc2)cc1[N+](=O)[O-] 509993438 GECUDXZRLJGVFM-UHFFFAOYSA-N 448.302 4.198 5 20 IIBD COC(=O)CSCc1cccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 510016848 ZDVOAYPALPBZTB-UHFFFAOYSA-N 431.514 4.444 5 20 IIBD CCC[C@H](NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 513566756 GZCKCDARQIVYKV-HNNXBMFYSA-N 444.431 4.288 5 20 IIBD COc1ccc(-c2nc(C)c(C(=O)Nc3ccnn3-c3ccc([N+](=O)[O-])cc3)s2)cc1 520245092 MUMCOUSBQMSWAA-UHFFFAOYSA-N 435.465 4.473 5 20 IIBD Cc1nn(Cc2ccccc2)c2sc(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)cc12 521001792 LWPPNSJTBLEWCJ-UHFFFAOYSA-N 436.493 4.172 5 20 IIBD Cc1ccc(S(=O)(=O)N(Cc2nc(C(C)C)no2)c2cccc([N+](=O)[O-])c2)c(C)c1 522903509 SUVHDQYQBTYIGM-UHFFFAOYSA-N 430.486 4.114 5 20 IIBD Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1Br 523508045 CVXODRZRBJZMMT-UHFFFAOYSA-N 432.274 4.154 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O 524229189 GAPCIVJVQKQCIW-UHFFFAOYSA-N 439.786 4.440 5 20 IIBD COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)Cc1cccc([N+](=O)[O-])c1)CC2 525628928 RJNGSMZPZPVGKS-QHCPKHFHSA-N 438.505 4.390 5 20 IIBD COc1cc(C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)cc([N+](=O)[O-])c1OC 530743598 ZPKXEPQCMZJMEJ-OAHLLOKOSA-N 435.274 4.352 5 20 IIBD CC(C)c1cc(Br)ccc1NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 535522308 MPDNMJKUPKVRDF-UHFFFAOYSA-N 434.246 4.027 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)CC(C)(C)O2 536468551 WMJLRYMGNAUGER-UHFFFAOYSA-N 430.482 4.216 5 20 IIBD COc1ccc(-c2nnc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])s2)cc1 536494331 VUDKIPGNXHQNBY-UHFFFAOYSA-N 435.259 4.137 5 20 IIBD CCc1nc2ccccc2n1C1CCN(C(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)CC1 536809624 GTTGLRNABBKQCJ-UHFFFAOYSA-N 445.479 4.238 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(S(=O)(=O)NCC2CC2)cc1 537153492 IMGXREDYXAJXAR-UHFFFAOYSA-N 449.554 4.036 5 20 IIBD CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCc1ncc(Cl)cc1Cl 537429424 LCWUWFUQZIIBBT-UHFFFAOYSA-N 437.239 4.238 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)c1ccc(OCC2CC2)c(F)c1 538227166 GTMNCHGKAJGRJG-KGLIPLIRSA-N 431.464 4.209 5 20 IIBD C[C@H](CCc1ccccc1[N+](=O)[O-])NCc1ccc(Br)cc1N1CCOCC1 539061127 WCOOEBSIGJAALS-MRXNPFEDSA-N 448.361 4.305 5 20 IIBD COc1ccccc1-c1ccc([C@@H](C)NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 540456465 UAIVTJCEQXWENV-OAHLLOKOSA-N 449.463 4.288 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CC=C(c3ccccc3C(F)(F)F)CC2)cc1 541282401 LLPKOVPTPOVLFH-UHFFFAOYSA-N 440.443 4.177 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1nccn1CCCc1ccccc1 541423351 UEMUMTRLBPQVOC-UHFFFAOYSA-N 444.944 4.486 5 20 IIBD COC(=O)[C@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)Cc1cccc2ccccc12 541732145 WYYUNLWSXOIOIZ-QAPCUYQASA-N 438.455 4.139 5 20 IIBD COc1ccc(NC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)cc1[N+](=O)[O-] 541999564 LLFYXZPNIXQCSM-UHFFFAOYSA-N 438.436 4.452 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@H](c2ccc(CC(C)C)cc2)C(C)C)cc1[N+](=O)[O-] 542078438 QEDDCHCTOWSFGG-NRFANRHFSA-N 427.501 4.254 5 20 IIBD O=[N+]([O-])c1cccc2ncnc(NC[C@H]3CCN(c4ccc(Br)cc4)C3)c12 542508304 SWZGLRXZTLMJLK-CYBMUJFWSA-N 428.290 4.239 5 20 IIBD C[C@@H](C(=O)Nc1cc(C(N)=O)ccc1NCc1ccccc1)c1ccc([N+](=O)[O-])cc1F 542649267 CVYLQMHALPBGRQ-CQSZACIVSA-N 436.443 4.187 5 20 IIBD O=[N+]([O-])c1cc(F)ccc1/C=C\c1nc(Cc2nc(O)c3c(C4CC4)csc3n2)no1 544960499 MPZNRUXULAABEW-XQRVVYSFSA-N 439.428 4.466 5 20 IIBD COc1cc(/C=C/c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)cc(OC)c1OC 545853871 DIDOGVNREXASRF-QPJJXVBHSA-N 436.424 4.246 5 20 IIBD Cc1cc(Cc2noc(CCSCc3nc(O)c4ccccc4n3)n2)ccc1[N+](=O)[O-] 545855159 ZCUCJTTYBCJKAK-UHFFFAOYSA-N 437.481 4.002 5 20 IIBD Cn1cnnc1Sc1ccc(-c2nc(Cc3ccc(F)cc3Cl)no2)cc1[N+](=O)[O-] 546272115 WTALFQQVWYWACG-UHFFFAOYSA-N 446.851 4.308 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(-c3nc(CN(C)C(=O)c4ccccc4)no3)cc2[N+](=O)[O-])C1 546435281 SHHUDEJKCGIQJB-IAGOWNOFSA-N 449.511 4.399 5 20 IIBD COc1cc(Cc2noc(CCCOc3cccc(Br)c3)n2)ccc1[N+](=O)[O-] 547179328 VHLOOGQJMMDARP-UHFFFAOYSA-N 448.273 4.351 5 20 IIBD CC(=O)Nc1ccc(NC(=O)COc2cc(C)c([N+](=O)[O-])cc2F)c(C(F)(F)F)c1 548148841 RVYXQWKLRPXSES-UHFFFAOYSA-N 429.326 4.037 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3F)cs2)c1 549212278 GEUABSGQIRFMOZ-UHFFFAOYSA-N 444.444 4.467 5 20 IIBD CC[C@H](C)Oc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 549491904 HSGFBZOCPGMZJZ-HRAATJIYSA-N 425.485 4.324 5 20 IIBD CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C(=O)Nc2ccccc2)C1 549861182 OGKHPDNIJIDTQO-IBGZPJMESA-N 448.527 4.364 5 20 IIBD Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 551283410 LAGKQNYPLHWSML-CQSZACIVSA-N 443.301 5.032 5 20 IIBD COC(=O)CN(Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C1CCOCC1 556925833 GQLMMFORAMMOOP-UHFFFAOYSA-N 434.876 4.195 5 20 IIBD C[C@H](N[C@H]1c2ccccc2CC12CCOCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 558487061 IMTCIXMLWJKPMO-XOBRGWDASA-N 429.904 4.259 5 20 IIBD C[C@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 569632358 IGUUSVJIWPEMAV-LLVKDONJSA-N 446.257 4.262 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1cnc(SC2CCCC2)nc1 571588737 LGOGBOZMVDHFKF-AWEZNQCLSA-N 432.571 4.259 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 572532273 GGWOSBPQJYJYNI-UHFFFAOYSA-N 444.538 4.423 5 20 IIBD C[C@@H](C(=O)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn23)C1)c1cccc([N+](=O)[O-])c1 574229772 SWKRIBGKXRAMFH-HIFRSBDPSA-N 447.417 4.166 5 20 IIBD COc1cccc(CCc2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)c1F 589133687 KDPLKGPCUXEVOW-UHFFFAOYSA-N 436.237 4.264 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ncnc2scc(-c3ccccc3)c12 590592792 XPQNMXBWIGGAON-UHFFFAOYSA-N 442.478 4.076 5 20 IIBD CCn1c(SCCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)nnc1-c1cccc(C)c1 592996024 YCKQZCGYIXGVDN-UHFFFAOYSA-N 441.513 4.311 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(C[C@H](C)c2ccccc2)o1 594638938 NBRGSRNHXDQLPV-KBPBESRZSA-N 442.497 4.452 5 20 IIBD COCC(=O)Nc1cccc(CNCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)c1 603557104 FHUCBSHJMPKFMH-UHFFFAOYSA-N 434.496 4.237 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3sc(C)nc3C)cs2)cc1OC 603769844 AAOYIAXLMCCEND-UHFFFAOYSA-N 434.499 4.451 5 20 IIBD CNc1ccc(C(=O)N[C@H](C)c2ccc(OCc3ccncc3)c(OC)c2)cc1[N+](=O)[O-] 603828645 SLMIDNQXAJXXPP-OAHLLOKOSA-N 436.468 4.110 5 20 IIBD CC(=O)c1ccc(NC[C@@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)c([N+](=O)[O-])c1 603860021 JJMONKWTLSZPIC-XCLFUZPHSA-N 435.883 4.464 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2nc3ccccc3[nH]2)[C@H](C)CC)cc1OC 603964167 DQIGUCFFXTYRDC-ZUOKHONESA-N 426.473 4.396 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1N1C[C@@H](C)O[C@H](C)C1 604447135 PAVPSKGMCXJNRQ-KFWWJZLASA-N 433.892 4.268 5 20 IIBD CCC[C@@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2sccc2C1 608901422 WBXBEVCXDRFHHV-KBXCAEBGSA-N 447.582 4.007 5 20 IIBD Cc1nn(C)c(C(=O)N2CCCc3c(NC(=O)CC4CCCCC4)cccc32)c1[N+](=O)[O-] 609455632 MOYUABIMXIJSNO-UHFFFAOYSA-N 439.516 4.139 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H](C)C3CCN(C)CC3)c([N+](=O)[O-])c2)c(C)c1 609620303 PDIUIUCGIDIHLR-KRWDZBQOSA-N 446.573 4.155 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cccc(CN2CCOCC2)c1 609762315 BEXPEJJIKHKZTJ-UHFFFAOYSA-N 433.464 4.472 5 20 IIBD CC[C@@H](NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cc(F)ccc1F 610135952 AORSOMBQHCZOQS-CYBMUJFWSA-N 435.246 4.065 5 20 IIBD O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)s1 610137644 SRLRFKVJGKDOOH-SIKLNZKXSA-N 437.565 4.296 5 20 IIBD CC(=O)N[C@@H](CC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 610210452 SGFAFUGZPXOTJG-ICSRJNTNSA-N 433.917 4.090 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNCCc3ccc(CO)cc3)o2)c(Br)c1 611443469 WUUURXVCUUNGRT-UHFFFAOYSA-N 431.286 4.442 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N2CCC(CCCO)CC2)cc1[N+](=O)[O-] 611907038 YUEVOYMHUJIHFG-UHFFFAOYSA-N 442.537 4.172 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CCN(c2ccncc2)CC1 612519092 FSPJTZJYQSLAKZ-UHFFFAOYSA-N 426.542 4.235 5 20 IIBD COC(=O)c1ccc(OCc2ncc(-c3cccc(Br)c3)o2)cc1[N+](=O)[O-] 613110142 HBSGOGAAJOXYHB-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3ccccc3Oc3cccnc3)CC2)ccc1[N+](=O)[O-] 619450521 PVMCDYJBKXTXCX-UHFFFAOYSA-N 448.479 4.143 5 20 IIBD CCOc1ccc(-c2nnc(Sc3c([N+](=O)[O-])ncn3C)n2-c2ccccc2F)cc1 619681584 VLCUWSHBQIODAC-UHFFFAOYSA-N 440.460 4.265 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1 725747826 UDGMSIGBVPDALM-FLIBITNWSA-N 432.480 4.044 5 20 IIBD C[C@H](OC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 727220851 WXXWBBYSEHSFMX-QWRGUYRKSA-N 427.240 4.239 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C(=O)N(C)c2ccccc2)C(C)C)cc1SC 728649001 DNBASCZJWVRGDB-LJQANCHMSA-N 432.498 4.170 5 20 IIBD CCSc1ccc([C@@H](C)NC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cc1 728834990 HHLPNHIMOHIQQW-HIFRSBDPSA-N 431.489 4.076 5 20 IIBD C[C@@H](OC(=O)c1cccc(COc2cccc(F)c2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 734050228 BWVZSPCEXACUSG-OAHLLOKOSA-N 438.411 4.497 5 20 IIBD CC[C@@H](Cc1cccc(Br)c1)C(=O)OCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 735358479 UNEROSYDZYVVMJ-HNNXBMFYSA-N 449.301 4.132 5 20 IIBD O=C(CCc1nc(-c2ccsc2)no1)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 735445763 YJAZXQXQJSCXEI-UHFFFAOYSA-N 426.410 4.037 5 20 IIBD C[C@@H](OC(=O)CNc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 735934260 SAMFKKLKPANBMF-SNVBAGLBSA-N 445.781 4.249 5 20 IIBD C[C@@H](OC(=O)[C@@H]1CCCN(Cc2ccccc2)C1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 735939685 ROWAHQBKXYXTJC-VQIMIIECSA-N 436.468 4.161 5 20 IIBD O=[N+]([O-])c1ccc(/C(O)=C(/C(=S)NCc2cccs2)[n+]2cc(O)cc(Cl)c2)cc1 738013065 LEPNUBBWKMJSOX-UHFFFAOYSA-O 448.933 4.304 5 20 IIBD Cc1csc(-c2cccc(C(=O)OCCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)c2)n1 740401657 XKQZAYHHEWWZDJ-UHFFFAOYSA-N 439.449 4.182 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Br)Nc1cccc2ccccc12 740423746 VLMKUEXKHYYHLF-UHFFFAOYSA-N 429.226 4.306 5 20 IIBD C[C@@H]1CCC[C@@H](C)N(C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 741609848 JABGLZXSKVDKJT-HZPDHXFCSA-N 432.498 4.013 5 20 IIBD O=C(Nc1ccccc1OS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C1CC1 742296317 NAIUOGVPGYBXKX-UHFFFAOYSA-N 431.253 4.018 5 20 IIBD CC[C@H](OC)C(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 744371550 ASIWMVGDDIZRCG-HNNXBMFYSA-N 427.240 4.484 5 20 IIBD Cn1ccc(C(=O)Oc2ccc(Cl)cc2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1 744371740 FHEHWZVWZWCNJT-UHFFFAOYSA-N 435.223 4.107 5 20 IIBD Cc1ccc(OC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c(I)c1 745972521 PPIZPQOKFJMKGQ-UHFFFAOYSA-N 436.205 4.068 5 20 IIBD COc1sc(/C=C\c2ccnc(-c3cccc([N+](=O)[O-])c3)[n+]2[O-])cc1Br 746521118 UXRKFOIGBXCKNW-WAYWQWQTSA-N 434.271 4.293 5 20 IIBD C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1nc2ccccc2s1 746668391 HXWCAJNZNFRSJO-VIFPVBQESA-N 431.417 4.263 5 20 IIBD O=C(O[C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 747957343 OPDQUGXWCPLQNL-GOSISDBHSA-N 441.440 4.034 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(N3CCc4sccc4C3)cc2)c(F)c1 748692560 LULHLCUHOGFQGW-UHFFFAOYSA-N 433.486 4.159 5 20 IIBD Cc1c(C(=O)NCc2ccccc2CN2CCC[C@@H](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748713218 UINHJPHFLRREJN-OAHLLOKOSA-N 440.500 4.282 5 20 IIBD Cn1c(SC[C@H](O)c2cccc([N+](=O)[O-])c2)nc2scc(-c3ccccc3)c2c1=O 749642002 VWWSIPKJJCFOMH-KRWDZBQOSA-N 439.518 4.396 5 20 IIBD O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1csc(-c2cccs2)n1 750426365 CUORWPHFHPSWHH-UHFFFAOYSA-N 430.511 4.248 5 20 IIBD O=C(Cc1ccc(OC(F)F)cc1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 750582719 GJCUACOJGFWCCX-UHFFFAOYSA-N 441.228 4.086 5 20 IIBD CCC[C@@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(N2CCCC2)c1 751244169 MTATVXNAMNOWPS-QOYCNBSOSA-N 436.512 4.132 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 751266814 KHOVSDNXDXGOJA-UHFFFAOYSA-N 447.904 4.034 5 20 IIBD Cc1cc(C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)c2cnn(Cc3cccs3)c2n1 751616592 HLDGYVDUZSVEGH-UHFFFAOYSA-N 449.448 4.256 5 20 IIBD COc1ccc(NC(=O)COC(=O)Cc2csc3ccc(Cl)cc23)c([N+](=O)[O-])c1 751847533 XOMVAUJXMRVPPY-UHFFFAOYSA-N 434.857 4.196 5 20 IIBD CC(C)n1ncc(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1-c1ccccc1 753623981 GFAJSKDDQOFUAL-UHFFFAOYSA-N 433.424 4.446 5 20 IIBD Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1cccc([N+](=O)[O-])c1Br 753810268 RMDRECXOAIZMSL-UHFFFAOYSA-N 434.290 4.304 5 20 IIBD O=C(N[C@@H](c1ccccc1)C1CCOCC1)c1cc(F)cc([N+](=O)[O-])c1Br 755010419 CHAZKWLWOIWNKO-SFHVURJKSA-N 437.265 4.394 5 20 IIBD O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 758469838 GJJVVSMCBAIMGG-UHFFFAOYSA-N 435.698 4.055 5 20 IIBD O=C(Nc1cnc(Cl)c(Br)c1)c1ccc(Br)cc1[N+](=O)[O-] 759155478 IQLIAUZVTSXWMQ-UHFFFAOYSA-N 435.459 4.421 5 20 IIBD COc1ccc2c(c1)OC[C@H]2CC(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 760330341 HCUXUEIVENUWAM-MRXNPFEDSA-N 448.431 4.327 5 20 IIBD CCCc1c(NC(=O)c2cccc([N+](=O)[O-])c2Br)cnn1-c1cc(C)ccn1 760865547 DLRZBIKOOXYJSP-UHFFFAOYSA-N 444.289 4.451 5 20 IIBD CC(C)Oc1cncc(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)c1 764929632 ISCMJPJHIOUPTD-IBGZPJMESA-N 441.484 4.019 5 20 IIBD O=C(Oc1ccccc1)N1CCCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 765019335 IQWPLMYHUDWVRQ-UHFFFAOYSA-N 448.479 4.280 5 20 IIBD COc1ccccc1N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2C1=O 765981710 IDEUIRPWLBFOFG-LDADJPATSA-N 445.387 4.239 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 768986083 SWSBWXSJZHPSTO-CYBMUJFWSA-N 433.745 4.136 5 20 IIBD COC(=O)c1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2-c2cccs2)cc1F 770204493 ICXDAZBCDHMJMU-UHFFFAOYSA-N 437.426 4.017 5 20 IIBD CCOc1cc(N2CCC(OC(=O)/C=C/c3ccc(Cl)nc3)CC2)ccc1[N+](=O)[O-] 772668629 CBPBRWMQSYOXMD-XBXARRHUSA-N 431.876 4.267 5 20 IIBD O=C(CCCC(=O)c1ccc(Br)cc1)OCC(=O)c1ccc([N+](=O)[O-])cc1 773581455 PMOJQNFSIXJJQX-UHFFFAOYSA-N 434.242 4.136 5 20 IIBD CCOc1ccc2c(c1)[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)CCO2 775351716 TYTDYSOXZRSADP-CQSZACIVSA-N 439.237 4.149 5 20 IIBD O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1)c1cc(F)cc([N+](=O)[O-])c1Br 776715011 HSRUGGQXJJGNLH-LBPRGKRZSA-N 442.672 4.159 5 20 IIBD CCCOc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)OC)c([N+](=O)[O-])c1 777610044 POXZYYNIYVZVPB-UHFFFAOYSA-N 443.865 4.016 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1 777924571 ZVRUDXQRBLSKEE-UHFFFAOYSA-N 449.504 4.248 5 20 IIBD Cc1nc(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(-c2ccccc2)s1 778857268 IJZKZHJLJGBCFO-NSHDSACASA-N 429.429 4.350 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c(Cl)c1 778887649 MKIATHRLVLMXNA-SNVBAGLBSA-N 428.775 4.342 5 20 IIBD O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1c2c(nc3ccccc13)CCC2 780336120 GYMUPFPSCANSSI-UHFFFAOYSA-N 432.480 4.100 5 20 IIBD COc1cc(COC(=O)c2cc(Cl)ncc2Cl)c([N+](=O)[O-])cc1OCC(F)F 781369268 SRRGBVORYPHAKH-UHFFFAOYSA-N 437.182 4.306 5 20 IIBD CC(C)Oc1cccc([C@@H](C)OC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c1 781675967 BZWKCIRBZOPTMW-PBHICJAKSA-N 432.498 4.353 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccc(NC(=O)C2CC2)cc1 782120794 CWXYEPBUAZQYCK-NSHDSACASA-N 432.274 4.197 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c1 784552714 DQLXOSTUUMGWSH-JQFCIGGWSA-N 435.546 4.082 5 20 IIBD Cc1cccc(C(C)(C)CNC(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2Br)c1 784693436 OEERNMNBRBCMPF-UHFFFAOYSA-N 448.317 4.007 5 20 IIBD Cc1ccccc1[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br)C(C)C 784701236 AWLCPFTZRSPKPU-SFHVURJKSA-N 448.317 4.426 5 20 IIBD Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 787288048 FTQLZGBMUTZYIM-UHFFFAOYSA-N 449.342 4.488 5 20 IIBD Cc1cccnc1OC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)CC1 788223530 CKRXGFBTYAJXIC-UHFFFAOYSA-N 438.528 4.218 5 20 IIBD Cc1nc2ccc(C(=O)N3CCc4c(Br)ccc([N+](=O)[O-])c4C3)cc2s1 791172873 RATHZUZIOBWABS-UHFFFAOYSA-N 432.299 4.474 5 20 IIBD O=C(c1ncoc1-c1ccc(F)cc1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791236422 XMQNWEVREANVND-UHFFFAOYSA-N 446.232 4.350 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)OCc1csc(N(C(C)=O)c2ccccc2)n1 795710491 HPRFYLFWGIDZIZ-UHFFFAOYSA-N 441.465 4.492 5 20 IIBD COc1ccc(-c2nn(CN(C)CCc3cccc([N+](=O)[O-])c3)c(=O)c3ccccc23)cc1 800866001 ONNNUBGXHMDZPA-UHFFFAOYSA-N 444.491 4.112 5 20 IIBD CC[C@@H](C)N[C@H](CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccco1 806367902 SMSOUPVBJJYRGL-BXUZGUMPSA-N 425.283 4.201 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(CCNc2ccccc2[N+](=O)[O-])no1 809389173 UIGQTLWYPFFVJQ-UHFFFAOYSA-N 448.233 4.279 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811217087 QJCPPZXYEPJTMD-IRXDYDNUSA-N 447.513 4.455 5 20 IIBD CC(C)(C)n1cnc(C(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)n1 812827174 KADWCBOZMUWMSN-UHFFFAOYSA-N 443.847 4.066 5 20 IIBD COCCOC(=O)Nc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 812929683 BTNVAMJHHDJQLE-UHFFFAOYSA-N 428.228 4.349 5 20 IIBD O=C1CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c2ccc(Br)cc2N1 813107926 ZBOHAMUEBYWUSV-UHFFFAOYSA-N 445.056 4.263 5 20 IIBD O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCSC1)c1ccc([N+](=O)[O-])cc1Cl 813716747 JXGJTDPBAAYYKP-ZDUSSCGKSA-N 433.917 4.374 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C2)C1 814428591 LIPZUBOECAATLQ-HOTGVXAUSA-N 435.496 4.233 5 20 IIBD O=[N+]([O-])c1ccc2cnn(Cc3nc(-c4cccc(OCc5ccccc5)n4)no3)c2c1 815703614 JJSXOXWRTYTXEH-UHFFFAOYSA-N 428.408 4.017 5 20 IIBD Cc1ccc([C@H](OC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c2cncn2C)cn1 816320762 CAVSNFMSVMMNKU-SFHVURJKSA-N 445.273 4.049 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 816998253 HPJXCXJJMZSPJP-RHSMWYFYSA-N 435.546 4.178 5 20 IIBD Cc1ccc(C)c(OCCCOC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1 913223183 BOWRXMJTALFSOR-UHFFFAOYSA-N 442.497 4.117 5 20 IIBD C[C@H](OC(=O)[C@H](C)Oc1ccc2c(c1)CCC2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 915486248 VIFOVDODUTWNBV-STQMWFEESA-N 432.860 4.075 5 20 IIBD CCn1c(C)cc(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)c1C 918634476 SBPNEOVENVQEQR-IBGZPJMESA-N 427.501 4.275 5 20 IIBD O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)c1cc(Cl)ccc1[N+](=O)[O-] 918676262 NALREHPHWYSXEQ-LBPRGKRZSA-N 438.709 4.267 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)c1ccc(C(C)(C)C)cc1 918685342 OYBIVNMCRSDNRC-FQEVSTJZSA-N 443.569 4.407 5 20 IIBD COc1ccc([C@@H]2CCCCCN2C(=O)COC(=O)c2cccc(C)c2[N+](=O)[O-])cc1 918803192 YAMYGEMZQPZUAQ-FQEVSTJZSA-N 426.469 4.213 5 20 IIBD CC(=O)Nc1cc(C(=O)OCCOc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)ccc1C 920147158 QIHFITJWVLGUNV-UHFFFAOYSA-N 426.347 4.116 5 20 IIBD O=C(Nc1cccnc1)c1ccc(OC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 921010808 YISHLEXJPXSFMP-UHFFFAOYSA-N 442.225 4.224 5 20 IIBD Cc1ccc(Cn2ncc3c(C(=O)N4CCc5ccc([N+](=O)[O-])cc54)cc(C)nc32)cc1 1115821472 RVKQKNBXJSFGLL-UHFFFAOYSA-N 427.464 4.208 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCO[C@H](c2ccc(Cl)s2)C1 1116168556 XMODGTBCCRTFQU-YGRLFVJLSA-N 431.297 4.331 5 20 IIBD C[C@H](OC(=O)c1csc(Cc2ccc(Cl)cc2)n1)C(=O)Nc1ccccc1[N+](=O)[O-] 1248655129 ZRFSARJQCQPFBB-LBPRGKRZSA-N 445.884 4.480 5 20 IIBD C[C@@H](OC(=O)c1cccc(COc2cccc(C=O)c2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 1318313196 FWXPSYZIPUAJTP-MRXNPFEDSA-N 448.431 4.170 5 20 IIBD O=C(Nc1nnc(-c2ccncc2)s1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 1320384531 DYJSLTRJUNHSJS-UHFFFAOYSA-N 432.465 4.373 5 20 IIBD CC(C)n1ncc2c1[C@@H](NCc1cc(I)cc([N+](=O)[O-])c1)CCC2 1323936979 YRQUWSFKBFGQKW-INIZCTEOSA-N 440.285 4.144 5 20 IIBD Cc1cc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)nc(C)c1Br 1325134203 DLUWQQNKSGSHPJ-UHFFFAOYSA-N 429.068 4.384 5 20 IIBD CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 1326003992 JQRXDXHQLUUTKE-UHFFFAOYSA-N 440.500 4.156 5 20 IIBD C[C@H]1CCc2c(C(=O)NC3(c4ccc(NC(=O)c5ccc([N+](=O)[O-])o5)cc4)CCC3)n[nH]c21 1785748780 HEGFUQOEUMLHOI-ZDUSSCGKSA-N 449.467 4.022 5 20 IIBD CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 1793940925 SHKZXZKRHQVKFU-KHUIQGCPSA-N 449.551 4.359 5 20 IIBD CCCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C3)cc1 1799769037 ATABJETVQIWDHY-WKCHPHFGSA-N 439.487 4.252 5 20 IIBD Cc1csc(C(=O)N2CCCC3(CCN(C(=O)c4cccc(F)c4[N+](=O)[O-])CC3)C2)c1 1806242456 NEUOWRKPJQQXBA-UHFFFAOYSA-N 445.516 4.262 5 20 IIBD CC[C@H](C)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)[nH]n1 1815038571 ACMRCWHPYCKFFF-YCQIBGRGSA-N 429.477 4.053 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CCC2CCC2)[nH]n1)c1ccc([N+](=O)[O-])cc1F 1821049297 JIUMFESCZMGSRI-IBGZPJMESA-N 443.479 4.343 5 20 IIBD COc1cc2c(cc1NC(=O)COC(=O)Cc1ccccc1[N+](=O)[O-])oc1ccccc12 11466593 CFZSKSJDHSROOZ-UHFFFAOYSA-N 434.404 4.227 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc([N+](=O)[O-])c1 14585953 VADUKIUMNHWXAX-UHFFFAOYSA-N 433.392 4.426 5 20 IIBD CCOc1ccc(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OCC 17529303 TVQIBDMHQQSDMH-ZDUSSCGKSA-N 427.413 4.360 5 20 IIBD C[C@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)Nc1ccc(F)c(F)c1 18591133 FZFJRGBOBPSNPK-LBPRGKRZSA-N 425.460 4.484 5 20 IIBD CSc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1[N+](=O)[O-] 22523466 QWGDVFHJCVVKBG-OAHLLOKOSA-N 443.525 4.491 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nncn1-c1ccc(C)c(Cl)c1 25097849 SQERSTMYSWOWPP-LBPRGKRZSA-N 447.904 4.265 5 20 IIBD CC(C)CCSc1ccc(C(=O)N[C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)cc1[N+](=O)[O-] 58385418 LSHHHDNKKCTDGF-CYBMUJFWSA-N 428.514 4.394 5 20 IIBD CC(C)NC(=O)c1ccc(N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 60447120 SVOIRAXLBRDTPI-UHFFFAOYSA-N 429.904 4.486 5 20 IIBD C[C@@H](Sc1nnc(N2CCCC2)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 64656005 LNIFPJHZOZPKJT-SECBINFHSA-N 447.464 4.185 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1cccc(COCC(F)(F)C(F)F)c1 65448012 NXVFNHCGHUESND-UHFFFAOYSA-N 429.370 4.376 5 20 IIBD COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)COc1cccc([N+](=O)[O-])c1)CC2 68851760 WFFPHJUJFVNHCO-RUZDIDTESA-N 448.475 4.165 5 20 IIBD COc1c(C)cnc(CN(C)C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1C 109466339 YNSORCXLQOJZBC-KRWDZBQOSA-N 449.511 4.456 5 20 IIBD Cc1c(CN2CCSCC2)cccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 109528646 OXHPRYHOIJXHMA-UHFFFAOYSA-N 440.569 4.305 5 20 IIBD Cc1nn(CCC(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)c(C)c1[N+](=O)[O-] 116652071 AUTAZJOOACTGJS-FQEVSTJZSA-N 431.496 4.228 5 20 IIBD Cc1nc(-n2cc(Br)c(=O)c([N+](=O)[O-])c2)c2cc(-c3ccccc3)sc2n1 301636331 ABRMRRQYYAZINW-UHFFFAOYSA-N 443.282 4.488 5 20 IIBD C[C@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 409666731 PCFDFBTUMPYZMN-JSGCOSHPSA-N 438.347 4.059 5 20 IIBD C[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](c2cccc(C(F)(F)F)c2)O1 428925719 HJOMBDNITCILMR-AUUYWEPGSA-N 437.418 4.404 5 20 IIBD C[C@@H]1C[C@@H](C)CN(CCCCNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 436013258 YDJMOOVOAVKIEN-HZPDHXFCSA-N 441.522 4.447 5 20 IIBD O=C(NCc1ccnc(OCC(F)(F)F)c1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 436101065 GPFDDSUQHLMMJT-UHFFFAOYSA-N 445.372 4.087 5 20 IIBD COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1ccc(O)c([N+](=O)[O-])c1)CC2 436637784 CEYOCSXAJPTIOJ-NRFANRHFSA-N 440.477 4.167 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 437036052 JFHAJPMMWYTKRI-KOMQPUFPSA-N 435.402 4.231 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1 438682910 RQIMZNDIAHDWEI-ROUUACIJSA-N 442.537 4.391 5 20 IIBD COC(=O)c1cc(Br)cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1Cl 440169235 NEVWOJLFYGWJTQ-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD C[C@@H](Cc1ccc(Cl)cc1)N(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H](C)O 441241606 DKZNLYFOWDOFHT-LSDHHAIUSA-N 430.892 4.112 5 20 IIBD COc1ccc(CNc2ccc3nc(O)n(C)c3c2)cc1OCc1ccc([N+](=O)[O-])cc1 442966468 LRXXORZMIVEMEX-UHFFFAOYSA-N 434.452 4.387 5 20 IIBD C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 443109453 PHYIPNPDGMDTLK-FDDCHVKYSA-N 446.507 4.152 5 20 IIBD COCCCN(CCc1ccc(OC)cc1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 444028970 IOSUIABJDWVHKF-UHFFFAOYSA-N 444.531 4.411 5 20 IIBD O=C(NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 444920107 KSJOBJOSZQCWRO-YMTOWFKASA-N 429.317 4.219 5 20 IIBD Cc1cc(Sc2ncccn2)ccc1NC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 445245356 UUGDYEFTSDCXAK-UHFFFAOYSA-N 435.469 4.042 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)c(C(F)(F)F)c1 447038363 LDYUCROQBMEHMK-ONGXEEELSA-N 434.358 4.261 5 20 IIBD Cn1c([C@@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c2ccccc2)nc2ccccc21 447390739 HEWZJHYACVTWDR-QHCPKHFHSA-N 441.491 4.339 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1Cc2ccc(O)cc2C2(CC2)C1 462832289 FHNUWTXPKCHVGA-UHFFFAOYSA-N 432.426 4.353 5 20 IIBD C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 465034314 NBPYDUFQYXTXDX-LLVKDONJSA-N 425.268 4.435 5 20 IIBD O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1 466538199 AUZLJCBHJHBQCS-CQSZACIVSA-N 429.267 4.022 5 20 IIBD COc1ccc(C2CCN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])CC2)cc1 466875464 AXOSFEXJAQKFLS-UHFFFAOYSA-N 445.324 4.479 5 20 IIBD CCc1ccc(C(=O)N2CCC(c3nc(-c4ccccc4OC)no3)CC2)cc1[N+](=O)[O-] 470107816 OUCANCOTUZHKKY-UHFFFAOYSA-N 436.468 4.236 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCSC[C@H]2c2nccs2)cc1[N+](=O)[O-] 472103278 CHBLOIUCXDZBCN-ZDUSSCGKSA-N 428.333 4.053 5 20 IIBD CCCc1[nH]nc(C(=O)Nc2ccc(OC(F)(F)F)c(Br)c2)c1[N+](=O)[O-] 473346496 QGWPCYIEQDOPTF-UHFFFAOYSA-N 437.172 4.184 5 20 IIBD COC(=O)COc1ccc(CNc2cc(NC(=O)C(C)(C)C)ccc2C)cc1[N+](=O)[O-] 473986582 DNOGUHRIRSPNNZ-UHFFFAOYSA-N 429.473 4.052 5 20 IIBD COC(=O)COc1ccc(CN[C@@H](C)c2oc3ccc(OC)cc3c2C)cc1[N+](=O)[O-] 474355285 OAJQLZXANWPQNF-AWEZNQCLSA-N 428.441 4.061 5 20 IIBD COc1cc(N[C@@H]2CCCN(C(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)C2)cc(OC)c1 475737671 MLIWVGPPHBLBSP-JKSUJKDBSA-N 445.541 4.196 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)ccc1[N+](=O)[O-] 478221766 CQPHESPVKZEGCR-NQSCKRDGSA-N 439.487 4.099 5 20 IIBD COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2I)c(C)cc1C 478544254 BCKOINYCQHVZKQ-UHFFFAOYSA-N 426.210 4.077 5 20 IIBD O=C(Nc1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1Cl 478566377 XEBVWUOGNZEHFZ-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD O=C(c1ccc(C(=O)N(CC2CC2)C2CCC2)c([N+](=O)[O-])c1)N(CC1CC1)C1CCC1 478599991 HEUDHCMAKJDAOR-UHFFFAOYSA-N 425.529 4.404 5 20 IIBD Cc1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1NC(=O)N(C)C 478633136 PSRRXYCAASNZFT-UHFFFAOYSA-N 440.378 4.190 5 20 IIBD O=C(c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1C[C@@H]2CNC[C@@H]2C1 479884345 CWHDKUQBXIBOHJ-BETUJISGSA-N 437.443 4.056 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2nc(-c3ccccc3Cl)cs2)CC1 480749174 JQMFFFALRXNMIU-UHFFFAOYSA-N 442.928 4.330 5 20 IIBD Cc1ccc(C(=O)N(C)C)cc1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 481551724 LSJQWJFPGDHNQI-UHFFFAOYSA-N 438.406 4.065 5 20 IIBD CCn1c(Sc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])nnc1-c1cnccn1 481806929 CIQQSOLNTHODCB-UHFFFAOYSA-N 432.465 4.045 5 20 IIBD CC(C)NS(=O)(=O)c1cccc(CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)c1 485398378 KHOWWNWXSBSSID-UHFFFAOYSA-N 444.488 4.095 5 20 IIBD C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CCO[C@H](c2ccccc2)C1 486138904 RDBNURZMNBMKIK-QRWLVFNGSA-N 438.509 4.119 5 20 IIBD CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 486186410 BCVIYKMEQYGSIZ-IBGZPJMESA-N 435.484 4.154 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)NC1(c2cccc(C(F)(F)F)c2)CCOCC1 486875816 AVOSFMMDVZCKIK-UHFFFAOYSA-N 426.366 4.117 5 20 IIBD Cc1nc(CSc2ccccc2C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cs1 487063184 UAIIRUYFRVMCSJ-UHFFFAOYSA-N 443.554 4.326 5 20 IIBD COCCN(C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)[C@H]1CCO[C@@H]1C 488852088 JPMDYORELADHNB-QRWLVFNGSA-N 447.919 4.126 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)[C@H]1CCn2cncc2C1 489194273 GZBZRJKSSOUGSK-AWEZNQCLSA-N 444.850 4.255 5 20 IIBD COc1ccnc(CNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)c1 495321129 XBHHJHVHBAUKAW-UHFFFAOYSA-N 426.860 4.194 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1c1ncc([N+](=O)[O-])cc1Cl 500871690 RJLNODHHJCINFD-LJQANCHMSA-N 427.892 4.083 5 20 IIBD COCCCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 502786165 XGDLTIGJZHYYPZ-SDZDHKAXSA-N 426.517 4.308 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)nc1 504092847 OWYPGNCKLXMRMZ-GASCZTMLSA-N 430.530 4.358 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2cc3c(cc2F)CCC(=O)N3)cc1[N+](=O)[O-])c1ccccn1 506189603 NIKRBJGBVHCBDO-ZDUSSCGKSA-N 449.442 4.439 5 20 IIBD CCn1c([C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])nc2ccccc21 509670111 XRSWMHJNNYNZQH-MRXNPFEDSA-N 434.905 4.144 5 20 IIBD O=C(Nc1cc(F)c(Br)cc1F)C1CCN(c2ccccc2[N+](=O)[O-])CC1 510097671 CQIWAYUYCWWOEO-UHFFFAOYSA-N 440.244 4.491 5 20 IIBD COc1cc(CN2CCC[C@H]2c2nc3ccccc3n2C)c([N+](=O)[O-])cc1OC(F)F 510402536 BFDRUDBZRLTPLV-INIZCTEOSA-N 432.427 4.429 5 20 IIBD COc1ccc(CNC(=O)C2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cc1 512667565 DSKMTDKEFLOPJF-UHFFFAOYSA-N 449.507 4.392 5 20 IIBD COc1ccc(Cl)cc1-c1cc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)n[nH]1 512848346 DEZFIJFPGCRBEQ-UHFFFAOYSA-N 427.848 4.474 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)cc1OC 515584717 VGNPEMPYXISQPH-UHFFFAOYSA-N 436.468 4.454 5 20 IIBD COc1cc(CN2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)c([N+](=O)[O-])cc1OC 516215011 AVLPFUYMXNTLDJ-INIZCTEOSA-N 429.521 4.157 5 20 IIBD CC(C)N1CCC[C@@H](CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 519885909 OYRBIFIANZCCTI-ROUUACIJSA-N 425.533 4.013 5 20 IIBD O=C(NCc1ccccc1CO)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 520122010 FDFYDHCXNWFNSZ-UHFFFAOYSA-N 425.872 4.283 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](CCO)c1ccc(Cl)cc1 521494800 UVHIYWJAFPXUCH-MRXNPFEDSA-N 427.682 4.173 5 20 IIBD O=C(Nc1cc(Cl)cc2cccnc12)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 521951575 JJGXZMFPTAWWKZ-AWEZNQCLSA-N 430.873 4.101 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CSC[C@@H]2C(=O)NC(C)(C)C)cc1[N+](=O)[O-] 524242695 GXMLDSLSSXBHBS-MRXNPFEDSA-N 439.603 4.163 5 20 IIBD C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 524867121 QXWBEASEYFONQL-QGZVFWFLSA-N 436.537 4.455 5 20 IIBD CN(C)[C@@]1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CCSC1 530644235 MBJLGNCDTDYDAS-GOSISDBHSA-N 440.363 4.144 5 20 IIBD O=C(NC[C@H](O)COc1ccccc1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 532147582 BNGZDNBNWPYHPK-KRWDZBQOSA-N 442.855 4.210 5 20 IIBD COc1cc(CNc2ccc3c(c2)CCC(=O)N3)c([N+](=O)[O-])cc1OCC(F)(F)F 532890229 ADDGVZLKPIBSNT-UHFFFAOYSA-N 425.363 4.041 5 20 IIBD Cc1ccc(-c2ncco2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 533954602 ZHQMEDLJICHBAD-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCC1(c2ccccc2Br)CC1 536183240 XORCQRJMUVYIKM-UHFFFAOYSA-N 428.286 4.229 5 20 IIBD O=C(N[C@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1)c1cc2ccccc2o1 536349619 YASKJNQNLYCLBS-SFHVURJKSA-N 446.463 4.390 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2c(ncn2CCc2ccccc2)C1 537730977 QPIIGLOYSCBVIW-QGZVFWFLSA-N 436.537 4.100 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccccc1CS(=O)(=O)N1CCC(C)CC1 540151148 MSHQIYVESNDCLS-LJQANCHMSA-N 445.585 4.316 5 20 IIBD Cc1c([N+](=O)[O-])cnc(NCC2(N[C@@H](C)c3ccccc3)CCOCC2)c1Br 542506895 SUUFHGNYEXUVND-HNNXBMFYSA-N 449.349 4.373 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccccc1C(=O)N1C[C@H](C)C[C@@H](C)C1 543288474 MBXURMKRBUMNQL-HZPDHXFCSA-N 440.500 4.043 5 20 IIBD O=C1[C@@H](c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)CCN1c1ccc(Cl)cc1 545075664 LXRMJRMYUZACQC-MRXNPFEDSA-N 437.843 4.224 5 20 IIBD Cc1cc(Cc2noc(C3CCN(C(=O)CCc4ccccc4)CC3)n2)ccc1[N+](=O)[O-] 545143936 KZXPICFWDIIXOU-UHFFFAOYSA-N 434.496 4.216 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(OCC(F)(F)F)cc1 552849777 YVWPVFSDRPFSFD-STQMWFEESA-N 441.406 4.222 5 20 IIBD COc1cc(CN2CC[C@]3(CCCN(C)C3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 560594877 MFXCPJIESVYBAM-DEOSSOPVSA-N 425.529 4.100 5 20 IIBD O=C(NCc1ccccc1COCc1ccccc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 564136869 JZUIEWMHZXZVES-UHFFFAOYSA-N 447.491 4.416 5 20 IIBD C[C@H](NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1cccc(OCc2ccccn2)c1 568577131 YJABAGDMOPMHJE-KRWDZBQOSA-N 448.479 4.234 5 20 IIBD COc1ccc(-c2cnc(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)n2C)cc1 571082152 PEQQGQPGLPFXBQ-UHFFFAOYSA-N 435.465 4.380 5 20 IIBD COc1cccc(OC)c1OCc1noc(-c2ccc3[nH]c4ccccc4c(=O)c3c2)n1 575835866 OFXOKEGGUNPLDG-UHFFFAOYSA-N 429.432 4.328 5 20 IIBD O=C(c1cc2occc2s1)N1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 576533598 XOGDPHINYGUGHL-UHFFFAOYSA-N 439.415 4.379 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H]2CCCOc3ccc(F)cc32)cc1[N+](=O)[O-] 583158649 QYMTWTUXBLSDJZ-KRWDZBQOSA-N 429.448 4.000 5 20 IIBD CCC[C@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CCCCC1 585757421 WUBWXOCGZIZLMB-INIZCTEOSA-N 426.311 4.161 5 20 IIBD COc1ccc(-c2nc(CN3CCOc4ccc([N+](=O)[O-])cc4C3)cs2)cc1OC 589303359 DEDSYPYNNYFIHC-UHFFFAOYSA-N 427.482 4.130 5 20 IIBD Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)N4CCc5ccc([N+](=O)[O-])cc54)cc3C2=O)c1 589980547 XNIJJUPIOOCIHK-UHFFFAOYSA-N 441.443 4.215 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])NC1(Cc2ccc(F)cc2Cl)CCOCC1 590522214 QECFEASVEBODGP-UHFFFAOYSA-N 435.883 4.097 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nnc(C2CC2)n1Cc1ccco1 602203010 SACXOOPSYMRVCZ-UHFFFAOYSA-N 427.486 4.134 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)NCc2c(Cl)cccc2Cl)cc1[N+](=O)[O-] 603523652 AUSXBYXIBPSGSE-UHFFFAOYSA-N 438.296 4.111 5 20 IIBD C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1cccc(NC(=O)Cc2ccccc2F)c1 603764555 LXDDIWXFPSBYOI-ZDUSSCGKSA-N 427.457 4.468 5 20 IIBD COC(=O)c1ccoc1CSc1ccccc1C(=O)NCc1ccc([N+](=O)[O-])cc1 603999707 FPDLSSOMOBWDQJ-UHFFFAOYSA-N 426.450 4.197 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H](c1ccccc1Cl)N(C)C 604444922 ATURODLEQLLVOY-SJCJKPOMSA-N 426.300 4.088 5 20 IIBD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)ccc21 604530563 VLRYXBGXKNNXFW-UHFFFAOYSA-N 434.452 4.416 5 20 IIBD COc1ccc(CNC(=O)N(C)CCCc2cc(-c3ccc(F)cc3)no2)cc1[N+](=O)[O-] 608782686 OFWVJTOKWPBTEX-UHFFFAOYSA-N 442.447 4.172 5 20 IIBD Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 608940133 XBYDZEGMMPYHIJ-UHFFFAOYSA-N 433.420 4.179 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC(C(=O)OC(C)(C)C)CC3)cc2[N+](=O)[O-])C1 608989651 VDIZIKWRVJSGHE-CALCHBBNSA-N 445.560 4.271 5 20 IIBD NC(=O)c1ccc(SCC(=O)Nc2ccc(C(F)(F)C(F)(F)F)cc2)c([N+](=O)[O-])c1 609228251 LNIJBOPLPCTQQI-UHFFFAOYSA-N 449.357 4.079 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@H]3CCN(c4ccc(F)cc4F)C3)cc2[N+](=O)[O-])CC1 609304468 KLMBPXJFPQDRPF-SFHVURJKSA-N 444.482 4.118 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(CSC3CCOCC3)c2)cc1C 609705957 YQGJITSGRRGCLM-UHFFFAOYSA-N 436.555 4.425 5 20 IIBD CCCOc1ccc(O[C@H]2CCCC[C@@H]2NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 609726240 ASXCPOBLOVLIAP-ICSRJNTNSA-N 442.468 4.232 5 20 IIBD COc1cc(C(=O)NCc2ccccc2COCc2ccccc2)cc([N+](=O)[O-])c1OC 610171381 JDINIBARNQJKQH-UHFFFAOYSA-N 436.464 4.259 5 20 IIBD CN(C(=O)c1ccc([N+](=O)[O-])cc1I)c1ccc2ccccc2n1 610228646 MTACRTBVPAPBQE-UHFFFAOYSA-N 433.205 4.024 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(Cc2csc(-c3ccccc3)n2)no1 612867343 FWJBPWLQADTDJF-ZDUSSCGKSA-N 435.465 4.183 5 20 IIBD O=C(O)c1ccccc1C1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 615172070 GVLROMWTEFJBRV-UHFFFAOYSA-N 437.477 4.436 5 20 IIBD COc1cc(C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)no2)cc([N+](=O)[O-])c1C 616305903 SDVJDRKNAHNEMK-UHFFFAOYSA-N 427.432 4.411 5 20 IIBD Nc1ccc(C(=O)Nc2ncc(Cc3cccc(Br)c3)s2)cc1[N+](=O)[O-] 725728019 RXLDIZBHKHBCGM-UHFFFAOYSA-N 433.287 4.239 5 20 IIBD C[C@H](OC(=O)c1csc(-c2ccc(O)cc2)n1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 726644698 UZHUVTPTGSCPMN-NSHDSACASA-N 438.421 4.392 5 20 IIBD COc1ccc(CC(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 727885306 CBCNSIZCTNLBTA-JTQLQIEISA-N 427.240 4.023 5 20 IIBD COc1ccc(CC(=O)O[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1[N+](=O)[O-] 727885802 HINODFKJMSMJOD-MRXNPFEDSA-N 434.448 4.383 5 20 IIBD CCCCOc1ccc(-c2nnc(COC(=O)c3cc(C)cc([N+](=O)[O-])c3N)o2)cc1 727901341 VPQPVMJGRYDPOQ-UHFFFAOYSA-N 426.429 4.071 5 20 IIBD COC(=O)c1sc2ccccc2c1CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 728287513 ZALQFAJSOYNBEG-UHFFFAOYSA-N 443.437 4.051 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1SC 728651615 UXECZPPDQQJGDY-UHFFFAOYSA-N 444.387 4.140 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCc1c(F)cccc1[N+](=O)[O-] 728990275 IHNRRYWSWKHANK-UHFFFAOYSA-N 431.298 4.206 5 20 IIBD Cc1ccsc1C(=O)Nc1ccc(OS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 729485282 YYVBGHNQOSSFOS-UHFFFAOYSA-N 436.442 4.124 5 20 IIBD Cc1oc(-c2ccccc2)nc1C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730702834 DWDDGNAHNILOIY-QGZVFWFLSA-N 435.436 4.020 5 20 IIBD C[C@H](OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCCCC2)cc1 736875096 KFYWKFFZYZJGCD-AWEZNQCLSA-N 431.876 4.423 5 20 IIBD C[C@@H](OC(=O)c1ccc(N)c(Cl)c1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 738862739 VPEKGVIMDZAGPL-SNVBAGLBSA-N 446.872 4.138 5 20 IIBD COc1ccc(S[C@H](C)C(=O)OC2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)cc1 739384839 NOXLTCVNFDVLFD-OAHLLOKOSA-N 446.525 4.305 5 20 IIBD CC(C)[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)N[C@@H]1CCCC[C@@H]1C 740410340 OFUWDLBBLHFWKK-VUCTXSBTSA-N 441.322 4.234 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 742514242 FMSQLHUQGPICMG-WUQYLLKWSA-N 429.517 4.246 5 20 IIBD CC(C)(C)OC(=O)N(CCCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 743313510 UHURBJPHSKQMFJ-UHFFFAOYSA-N 431.411 4.133 5 20 IIBD O=C(OCc1nc(CCc2ccccc2)no1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 744554291 PFNMEXDLNRPHPZ-UHFFFAOYSA-N 436.468 4.110 5 20 IIBD CN(C(=O)COC(=O)c1ccc(Oc2ccccc2Cl)nc1)c1ccc([N+](=O)[O-])cc1 747034620 PCHUDBQOGVPDKQ-UHFFFAOYSA-N 441.827 4.255 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2ncc(C)c(OC)c2C)cc1 747671625 PILUEGSWIJFQRB-UHFFFAOYSA-N 437.452 4.346 5 20 IIBD Cc1ccsc1[C@H]1C[C@H]1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 748452778 WZKOEONFJKTOCP-NWDGAFQWSA-N 428.388 4.269 5 20 IIBD O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 749894557 SESRUXPHTDTCPL-UHFFFAOYSA-N 442.686 4.153 5 20 IIBD O=C1[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1c1cccc(Cl)c1 749923239 HMYDKHLTKOITHY-GOSISDBHSA-N 428.901 4.267 5 20 IIBD CCOc1ccccc1CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 750864482 LMOHRCRLNZUZCT-UHFFFAOYSA-N 427.682 4.382 5 20 IIBD CC(C)(C)OC(=O)N(CC1CC1)C1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 751051203 STEDQVLZUZBBDY-UHFFFAOYSA-N 446.548 4.035 5 20 IIBD O=C(CSCC(=O)N1CCCCC1)OCc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1 752217065 KDAINSWPZNMKAY-UHFFFAOYSA-N 444.509 4.176 5 20 IIBD COC(=O)C[C@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 752374511 LBPDQDMSCFJFPY-AWEZNQCLSA-N 441.665 4.045 5 20 IIBD O=C(OC[C@H]1CC(=O)N(C2CC2)C1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 754761401 AGBWOKAUCXDRGC-AWEZNQCLSA-N 443.887 4.028 5 20 IIBD O=[N+]([O-])c1cccc(N(C2CCCC2)S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1 755108399 UVZQPLLBIYHVTA-UHFFFAOYSA-N 442.453 4.189 5 20 IIBD O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1cn(-c2ccc(Br)cc2)cn1 756324737 BWFCIQOBSRCBLG-UHFFFAOYSA-N 443.213 4.041 5 20 IIBD O=C(COC(=O)CCc1cccc([N+](=O)[O-])c1)Nc1ccc(Br)cc1Cl 756527575 LNHQUUMOEWRJDF-UHFFFAOYSA-N 441.665 4.125 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1c[nH]nc1-c1ccccc1Cl 756605471 REUILHJEIJCNKA-UHFFFAOYSA-N 425.788 4.045 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H](C[C@@H](C)O)c2ccccc2)CC1 759338563 JSGGEBMNEZKEOX-UYAOXDASSA-N 425.529 4.116 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(Cc3ccc(F)c(Br)c3)no2)ccc1-n1ccnc1 761793385 XYAKHPHJJPUWJN-UHFFFAOYSA-N 444.220 4.323 5 20 IIBD COc1ccccc1[C@@H](OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccccn1 764692575 FVQJRQLKBZVHRZ-JOCHJYFZSA-N 430.420 4.131 5 20 IIBD CC[C@@H]1CCCC[C@H]1OCC(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 766809951 KJLUGXBZRKGLAY-OGHNNQOOSA-N 446.422 4.469 5 20 IIBD Cc1cccc([C@H](O)CNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c1 768312096 OHSNFKUWPURURE-QGZVFWFLSA-N 429.523 4.283 5 20 IIBD CC(C)n1c([C@@H]2CCCN(S(=O)(=O)c3csc([N+](=O)[O-])c3)C2)nc2ccccc21 768845517 FATBNMWDZOVYCL-CQSZACIVSA-N 434.543 4.155 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCC(=Cc2ccc(F)c(F)c2)CC1 769269503 YKBYJAOQVQZZJX-UHFFFAOYSA-N 435.814 4.171 5 20 IIBD O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1coc(-c2ccccc2Cl)n1 776514800 AHSZXJMVCODTKH-UHFFFAOYSA-N 442.859 4.372 5 20 IIBD CSc1cccc(C(=O)OCC(=O)N2CC[C@H](C)Sc3ccccc32)c1[N+](=O)[O-] 777073503 ICZANQIGJQEDDC-ZDUSSCGKSA-N 432.523 4.391 5 20 IIBD CSc1cccc(C(=O)OCC(=O)c2cc(C)n(Cc3ccco3)c2C)c1[N+](=O)[O-] 777075587 WPCQPEBIFGCJDJ-UHFFFAOYSA-N 428.466 4.416 5 20 IIBD CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 778250932 KGYUFUONFVLSAO-UHFFFAOYSA-N 428.439 4.178 5 20 IIBD COc1ccc(-c2nnc(SCC(=O)O[C@@H](C)c3cc([N+](=O)[O-])ccc3C)o2)cc1 778740701 PLEKPVNANZBPJR-ZDUSSCGKSA-N 429.454 4.358 5 20 IIBD O=C(COC(=O)c1csc(Cc2cccc(F)c2)n1)Nc1ccc(Cl)cc1[N+](=O)[O-] 780183599 FTKJNRCUPHWRLX-UHFFFAOYSA-N 449.847 4.230 5 20 IIBD CCOCN(C(=O)COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1c(C)cccc1CC 782007472 UUVQRIKXXKHHTD-UHFFFAOYSA-N 434.876 4.303 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)[C@@H]2CCCC[C@@H]12 782809373 CZJAQOLDISZIQZ-GQWLDOHISA-N 444.509 4.013 5 20 IIBD COc1ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)cc1[N+](=O)[O-] 782813434 DWTIFCCXNODVMO-QGZVFWFLSA-N 435.864 4.461 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 783123505 DBOAGYNCTVWKLI-GFCCVEGCSA-N 427.215 4.137 5 20 IIBD CCCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H](C)C(=O)Nc1ccccc1C 786130153 BAIHXXIYGLLUKO-MRXNPFEDSA-N 430.480 4.110 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1N1CCOC1=O 786267395 IPKXENSCQOLHMQ-UHFFFAOYSA-N 434.246 4.183 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1 786288053 USOFMDRSIPVNFK-MLGOLLRUSA-N 439.331 4.456 5 20 IIBD O=C(Cc1csc(Cc2cccc(Cl)c2)n1)OCC(=O)c1cccc([N+](=O)[O-])c1 787011857 GMKHOZNSVDDQOZ-UHFFFAOYSA-N 430.869 4.264 5 20 IIBD O=C(O[C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1)c1cnc(Oc2ccccc2)cn1 787023584 AODRQMBBVCMWQY-KRWDZBQOSA-N 438.415 4.142 5 20 IIBD Cc1cnc(COC(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)c(C)c1[N+](=O)[O-] 789446596 KNRZJMOICLHOOB-OAQYLSRUSA-N 449.463 4.318 5 20 IIBD CC(C)(C)OC(=O)NC(C)(C)c1noc(-c2cc(Br)cc([N+](=O)[O-])c2)n1 789783438 SSKSXXBODJXRMJ-UHFFFAOYSA-N 427.255 4.167 5 20 IIBD COC(=O)C[C@@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1cccc(Cl)c1 790820811 GGJUGUMTIMIBTP-OAHLLOKOSA-N 429.231 4.004 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(NC(=O)c2cccs2)cc1 791536040 JVZXGEBXHOEHGW-UHFFFAOYSA-N 427.394 4.174 5 20 IIBD COc1ccc(C(=O)Nc2ccc(C(=O)Oc3ccc(OC)c([N+](=O)[O-])c3)s2)cc1 792119319 MLYCMSPGNQVUTI-UHFFFAOYSA-N 428.422 4.145 5 20 IIBD COc1c(C(=O)Nc2cccc(C)c2C(=O)NCCc2ccccc2)cccc1[N+](=O)[O-] 793260091 YJCODLCMTXVTFP-UHFFFAOYSA-N 433.464 4.137 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3ccc4oc(C)nc4c3)CC2)ccc1[N+](=O)[O-] 796726902 QDHGIBZVZVTKMI-UHFFFAOYSA-N 425.441 4.269 5 20 IIBD C[C@H](C(=O)O[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1)[C@H]1OCCc2sccc21 797146259 GNBRRWKJYLFPSO-XBHMSOGKSA-N 434.489 4.258 5 20 IIBD Cc1cc(OCC(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)ccc1[N+](=O)[O-] 797423882 ZTNOEUPRFUBULK-UHFFFAOYSA-N 435.484 4.296 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)cs1 797459787 JUSZVMLLLYULSY-CYBMUJFWSA-N 435.296 4.084 5 20 IIBD Cc1ccc(-c2ccnn2C)cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 799037201 BUFZNZIHFSGOKU-UHFFFAOYSA-N 433.237 4.458 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 799729511 RJNJPKRUSXFCGD-UHFFFAOYSA-N 449.448 4.461 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H](Cc1ccccc1)c1ccccc1F 800607350 GNFZRAJRSMACGE-LJQANCHMSA-N 439.418 4.220 5 20 IIBD Cc1nn(C)c(Br)c1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 801164066 YICUKISITQMABF-UHFFFAOYSA-N 429.274 4.246 5 20 IIBD COc1ccc([C@H]2CCCCCN2C(=O)COC(=O)c2cc([N+](=O)[O-])cc(C)c2F)cc1 803459545 XQDXMDKBXTWBGV-HXUWFJFHSA-N 444.459 4.352 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OC[C@@H]1CCN(c2ccccc2F)C1 810919261 SFHHIGVKCCZPHO-OAHLLOKOSA-N 434.489 4.156 5 20 IIBD COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)O[C@H](C)C[N+](=O)[O-])s1 814039105 XTFFVJMXSOAGFG-CQSZACIVSA-N 427.482 4.313 5 20 IIBD Cc1c(NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)cnn1-c1ccccc1F 821192974 ZZGAGMHETVHXLA-UHFFFAOYSA-N 445.259 4.336 5 20 IIBD O=C(OCc1ccccc1[N+](=O)[O-])c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1 913224317 XFLDVWPMEWIZEI-UHFFFAOYSA-N 448.403 4.031 5 20 IIBD Cc1ccc(N(Cc2ccco2)C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1C 914514206 QBFBTFGHWXUDAR-UHFFFAOYSA-N 435.480 4.488 5 20 IIBD CCOc1cc(CN(C)c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)ccc1OC(F)F 917060346 QVKIHBSMVLICBO-UHFFFAOYSA-N 435.427 4.124 5 20 IIBD CN(CCCCc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 917915717 REVPOSCEXXFIEJ-UHFFFAOYSA-N 427.320 4.001 5 20 IIBD CC[C@H](C)c1ccc(C(=O)COC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cc1 918032156 GEYXELYSYUJRMK-HNNXBMFYSA-N 449.463 4.002 5 20 IIBD CCOc1c(Br)cc(C(=O)OCc2cc(F)ccc2[N+](=O)[O-])cc1OC 918965928 DHCQJAKACCIZTG-UHFFFAOYSA-N 428.210 4.261 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 1122624788 IDEQJBTZKYQIGT-UHFFFAOYSA-N 436.399 4.418 5 20 IIBD C[C@]1(c2ccc(Cl)s2)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2Br)C1=O 1255164718 LIGCWSFODYREHH-OAHLLOKOSA-N 444.694 4.039 5 20 IIBD COC(=O)c1cc(NC(=O)c2csc(Cc3ccc(Cl)cc3)n2)cc([N+](=O)[O-])c1 1318602520 CANVNIXLHQULRI-UHFFFAOYSA-N 431.857 4.334 5 20 IIBD Cc1c(I)cccc1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 1320804220 GCAGHCNRDAJHOP-UHFFFAOYSA-N 436.209 4.170 5 20 IIBD Cc1cc(F)c(Br)cc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1N 1321779780 VBSRKXHBOSIFPR-UHFFFAOYSA-N 447.058 4.402 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2c2nnc(-c3cccc4ncccc34)o2)ccc1[N+](=O)[O-] 1322902742 CNUHYHNQFYCRNN-HXUWFJFHSA-N 429.436 4.479 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2cccc(F)c2)CC1 1337243022 AEYCFCOZRQAOIB-UHFFFAOYSA-N 446.500 4.409 5 20 IIBD CC(C)N1C(=O)C[C@H](C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)[C@H]1c1ccc(Cl)c(F)c1 1337293532 MHCAEEHILMGYSS-LAUBAEHRSA-N 445.878 4.228 5 20 IIBD O=C(Cc1ccccc1F)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1 1787746753 MQALDAGMEDXTKT-UHFFFAOYSA-N 436.443 4.052 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC1(c2ccc(NC(=O)C(C)(C)F)cc2)CCC1 1787941142 WCVIGKWSPFHMRT-UHFFFAOYSA-N 442.491 4.157 5 20 IIBD CC1=C(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccc([N+](=O)[O-])o4)CCC3)cc2)CCO1 1788324763 PELANKRXKOMCRS-VQHVLOKHSA-N 437.452 4.029 5 20 IIBD COc1cc(C(=O)Nc2ccc(C3(NC(=O)c4[nH]ccc4C)CCC3)cc2)ccc1[N+](=O)[O-] 1792163716 FRPRZOMAFUDFSQ-UHFFFAOYSA-N 448.479 4.301 5 20 IIBD Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc([N+](=O)[O-])cc2F)c1Cl 1800352205 RHGCMMAQITZDPG-QDMKHBRRSA-N 445.878 4.261 5 20 IIBD CC(C)c1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C3)cc1 1801857229 LHTVKLFTJMHVHW-NUNAXRQHSA-N 449.551 4.142 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccco2)CC1 1825772379 WFTIEFVXIROPHL-IBGZPJMESA-N 443.475 4.182 5 20 IIBD O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCC([C@@H]2CCCCN2C(=O)C2CCCCC2)CC1 1826282131 FIBOKTOQGXYYSJ-FQEVSTJZSA-N 443.544 4.114 5 20 IIBD C[C@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 10531977 SXMDLTWPSCAZQO-QMMMGPOBSA-N 431.754 4.033 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(N2CCCC2=O)c1 11916787 IYJVQPPZDDQDQY-UHFFFAOYSA-N 436.390 4.181 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2ccccc2OC(F)F)c1 16197208 UCVRHCOBNUBKKB-SNVBAGLBSA-N 426.397 4.102 5 20 IIBD COc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2-c2cccs2)cc(OC)c1OC 16324979 IIBDFOBPCHFPBU-UHFFFAOYSA-N 444.465 4.367 5 20 IIBD C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 17534494 VLVXZOYZBLNIQX-SNVBAGLBSA-N 443.876 4.124 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)OCC(=O)c1ccccc1 18961463 CSWOIFATPSXNMM-UHFFFAOYSA-N 441.443 4.416 5 20 IIBD CCOc1cc(C(=O)OCC(=O)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC 19472910 JJBOUEZDBMFJND-UHFFFAOYSA-N 427.331 4.061 5 20 IIBD Cc1cc2nnc(S[C@@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)n2c2ccccc12 21682351 NJXLYHUOFHKJGR-LBPRGKRZSA-N 425.445 4.358 5 20 IIBD CCC[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 22670006 WWTVDOKMHXXZNL-ZIAGYGMSSA-N 446.887 4.329 5 20 IIBD O=C(c1nc(Cl)ccc1Cl)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 22917312 CRXAKTKLKUYEFP-UHFFFAOYSA-N 449.216 4.278 5 20 IIBD COc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC(F)F 26452544 WVVUVICRIQZEJS-NSHDSACASA-N 443.834 4.317 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2C)ccc1C 32517274 FORRYWNCCQLZLW-INIZCTEOSA-N 431.514 4.027 5 20 IIBD CN(C(=O)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)C(c1ccccc1)c1ccccc1 60370958 IZMBTHWGFQJTAG-UHFFFAOYSA-N 427.464 4.101 5 20 IIBD CCOc1ccc(-c2nc(Cn3nc(-c4cccc([N+](=O)[O-])c4)ccc3=O)cs2)cc1 60826486 LBKNIOIEZJIHJJ-UHFFFAOYSA-N 434.477 4.389 5 20 IIBD O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)N(C1CCCCC1)C1CCCCC1 60826608 FUIDYCVFFVQIHE-UHFFFAOYSA-N 438.528 4.313 5 20 IIBD Cc1ccc(C[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2I)c(C)c1 78718072 CPMICIZPUGHMBE-CYBMUJFWSA-N 438.265 4.177 5 20 IIBD COc1cc(CN[C@H](C)c2nnc3ccccn23)ccc1OCc1ccc([N+](=O)[O-])cc1 96971489 ZRCHZSAAUQMPFL-MRXNPFEDSA-N 433.468 4.076 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)cc1[N+](=O)[O-] 105972046 NRFBCAMEQQFEFD-HXUWFJFHSA-N 428.514 4.226 5 20 IIBD O=C(c1cccc(OC[C@H]2CCCO2)c1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 195557854 IHNDOMGRAAHPSW-GOSISDBHSA-N 438.402 4.357 5 20 IIBD Cc1c(NC(=O)CCN(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)cccc1[N+](=O)[O-] 255958874 FMCYHEQUYZAMLO-QUCCMNQESA-N 438.311 4.129 5 20 IIBD C[C@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 301288008 ZXZLHOSBVXVWFB-NSHDSACASA-N 439.440 4.113 5 20 IIBD CS(=O)(=O)c1ccc(N2CCC[C@H]2c2cc(F)cc(Br)c2)c([N+](=O)[O-])c1 302212532 MXAZHOPVLQQOHW-HNNXBMFYSA-N 443.294 4.241 5 20 IIBD CC(C)(CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(Br)c1 303087883 CDQWGCBNOXUWGB-UHFFFAOYSA-N 443.301 4.251 5 20 IIBD CCOC(=O)c1c(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)sc(-c2ccccc2)c1C 409922310 WUYQAMMRMXKJNX-UHFFFAOYSA-N 442.497 4.260 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 431175347 MZGXDPXXKPGSQH-UHFFFAOYSA-N 431.558 4.442 5 20 IIBD CCCCS(=O)(=O)Nc1ccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 431184376 TWZHXWTWMVWAMH-UHFFFAOYSA-N 434.518 4.193 5 20 IIBD CCOc1cc(NC(=O)C(=O)N(C)C2CCC(C(C)C)CC2)c([N+](=O)[O-])cc1OCC 433661193 UJZADFRAUKLVEP-UHFFFAOYSA-N 435.521 4.004 5 20 IIBD COC(=O)c1cc(C(=O)Nc2cc(Br)ccc2OC(C)C)cc([N+](=O)[O-])c1 434320368 BOKHWYFWCQOZIS-UHFFFAOYSA-N 437.246 4.183 5 20 IIBD Cc1cc(NC(=O)c2ccc(NC(=O)N(C)C)cc2Cl)n(-c2ccc([N+](=O)[O-])cc2)n1 435160576 JKYZDGKZAJMCNS-UHFFFAOYSA-N 442.863 4.088 5 20 IIBD O=C(NCc1ccc(-n2cccn2)cc1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436061544 QEKXWRFPQYYREA-UHFFFAOYSA-N 430.414 4.075 5 20 IIBD C[C@@H]1Cc2ccccc2N1CCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436240193 OBWZMKUQKGHIAL-CQSZACIVSA-N 433.458 4.141 5 20 IIBD COc1c(Cl)cc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1Cl 437035895 UIHCICRFOCFGKJ-UHFFFAOYSA-N 438.267 4.040 5 20 IIBD COc1ccccc1-c1noc([C@@H](C)NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 437129697 RTNQJKQJJIPIBW-SNVBAGLBSA-N 436.346 4.163 5 20 IIBD COC(=O)CSCc1cccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 437154137 IRAJPYXEKAQMSQ-UHFFFAOYSA-N 428.388 4.272 5 20 IIBD CC(C)c1ccc(C(=O)N2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)cc1[N+](=O)[O-] 438970897 HUSIUDJWISRAST-GOSISDBHSA-N 435.480 4.499 5 20 IIBD CN(C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccc([N+](=O)[O-])nc1 439292825 BOKNOJBKZHMBFA-IBGZPJMESA-N 438.871 4.167 5 20 IIBD CC1(C)CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 440904269 BWJRAFGADUHWNT-RYTUXRKISA-N 430.548 4.351 5 20 IIBD CCCN(C(=O)c1nnn(-c2ccc(OC(F)F)cc2)c1C)c1cccc([N+](=O)[O-])c1 441473793 FLBZSMFQQGKWJC-UHFFFAOYSA-N 431.399 4.142 5 20 IIBD C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 443102963 JOKIMVYTRXLYJT-FDDCHVKYSA-N 446.507 4.152 5 20 IIBD COc1cc(C(=O)Nc2ccnn2-c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC(F)F 443962213 MMDSYNBCNSYAHY-UHFFFAOYSA-N 438.774 4.296 5 20 IIBD CCc1n[nH]c(C(=O)Nc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3)cc2)c1[N+](=O)[O-] 444267078 TWQMNJBXCGMNMP-LJQANCHMSA-N 433.468 4.110 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[C@@H](c4ncc(C(F)(F)F)[nH]4)C3)o2)c1 444800700 KDYBYOYDACEADS-CQSZACIVSA-N 435.406 4.414 5 20 IIBD Cc1ccc(NC(=O)c2c(C)cccc2[N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1 445204752 BIYABNQTUYGDDT-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(-c3cccc(S(=O)(=O)Cc4ccccc4)c3)n2)s1 445474144 XCROOUJSSNVKLD-UHFFFAOYSA-N 427.463 4.347 5 20 IIBD CN(Cc1nc2ccccc2s1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 462477933 GOBUMLSIWGEXTO-UHFFFAOYSA-N 432.310 4.332 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@@](CO)(Cc2ccccc2)C1 462935326 NENVLLSCGSFNCS-HSZRJFAPSA-N 437.521 4.176 5 20 IIBD C[C@@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)Oc1ccc(Cl)cc1 462937218 ZTFXSMKVEOZRMO-LBPRGKRZSA-N 435.267 4.327 5 20 IIBD CN(Cc1nc(-c2ccc3nc(-c4cscn4)[nH]c3c2)no1)c1ccccc1[N+](=O)[O-] 463182471 HDUJPJPRABISKW-UHFFFAOYSA-N 433.453 4.281 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(C(=O)NCc2ccccc2)c1 467465754 BISSYNVDWWGVQC-UHFFFAOYSA-N 438.871 4.500 5 20 IIBD Cc1cccc(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1Br 470329835 DMRKMNYAQUQGRL-UHFFFAOYSA-N 428.080 4.358 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1[C@H](C)CN(Cc2ccccc2)C[C@H]1C 472502799 QJMYTZHOIFLXNC-KURKYZTESA-N 427.570 4.348 5 20 IIBD C[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1noc(Cc2ccccc2)n1 473910116 JWWUIHPZEZJBOJ-CYBMUJFWSA-N 435.465 4.183 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)cc1C 476419464 SANPOKBBSBVOBV-UHFFFAOYSA-N 432.433 4.079 5 20 IIBD Cc1cccc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1I 479472308 NIQXPTUUJUTQIL-UHFFFAOYSA-N 444.656 4.134 5 20 IIBD CCc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)cnn1-c1ccccc1C 480227624 QNGXWYKBEFOVOH-UHFFFAOYSA-N 437.481 4.000 5 20 IIBD CNC(=O)c1cc(Oc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)ccc2C)ccn1 481186910 FZZZXISGFVHLIC-UHFFFAOYSA-N 440.843 4.356 5 20 IIBD Cc1c(CNC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)cccc1[N+](=O)[O-] 481484730 WIQAMXYVHMEETF-SFHVURJKSA-N 436.295 4.131 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)cc1SC 483414475 XKHVEEJEHMGURA-UHFFFAOYSA-N 443.525 4.450 5 20 IIBD Cc1ccnc(-n2nccc2NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 484929440 XRNRVUHPLACWSI-MRXNPFEDSA-N 443.467 4.304 5 20 IIBD COc1cc(C(=O)NC(C)(C)c2ccc(Br)c(C)c2)c([N+](=O)[O-])cc1OC 484975210 QWUUEUIFOZKWIX-UHFFFAOYSA-N 437.290 4.348 5 20 IIBD CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1sc(Br)cc1[N+](=O)[O-] 485916461 RYZJBWRHHPNZDD-CQSZACIVSA-N 438.347 4.013 5 20 IIBD CNC(=O)c1cc(Oc2ccccc2NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)ccn1 487986156 IHNIMYPPORHGTR-UHFFFAOYSA-N 438.465 4.116 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2cccc(F)c2)cc1[N+](=O)[O-] 488158008 KVSQAOTXEYAMDY-SFHVURJKSA-N 431.489 4.185 5 20 IIBD CC[C@H](C)c1nc([C@H](C)NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)n[nH]1 489239076 ZWWKBRGZFLSVDU-QWRGUYRKSA-N 425.439 4.082 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)c(F)cc1Br 490054421 OLEHHUQEXOAFMS-UHFFFAOYSA-N 429.267 4.142 5 20 IIBD Cc1cc(C[C@@H](C)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n(-c2ccccc2)n1 491409822 MJSQBRHEXNRNIY-QGZVFWFLSA-N 433.512 4.394 5 20 IIBD O=C(CN[C@H](c1ccccc1)C(F)(F)F)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 498131223 FZMRRHUYWHLEDG-MSOLQXFVSA-N 425.432 4.062 5 20 IIBD C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 498159553 PIMHYMXOKRIUOJ-RBZFPXEDSA-N 449.529 4.068 5 20 IIBD Cn1cccc1C(=O)C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 498391070 WLYHKBAMSMMMKX-UHFFFAOYSA-N 431.807 4.017 5 20 IIBD CCn1c(S[C@@H](C)C(=O)NCCc2cccs2)nc2cc3ccccc3cc2c1=O 499428466 UONYQJSZOJEGRY-HNNXBMFYSA-N 437.590 4.471 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H](NCC1CCOCC1)c1ccccc1 501974182 WWOVNQULAHFCLB-LJQANCHMSA-N 448.317 4.053 5 20 IIBD COc1ccc(CSCC(=O)Nc2cc(Cl)ccc2-n2cccn2)cc1[N+](=O)[O-] 502742803 ZSPAZVZHNWEDBV-UHFFFAOYSA-N 432.889 4.314 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N1CCCc2cccc(Cl)c21 502744848 LSKOAXAUVBWYMQ-UHFFFAOYSA-N 442.640 4.446 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)N[C@H](CCc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 503004892 XNSUTBNMVGDIHR-HXUWFJFHSA-N 438.505 4.102 5 20 IIBD CCS[C@@H]1CCCCN(C(=O)c2cc([N+](=O)[O-])cc(I)c2C)C1 509486409 MNUIBXBSOYQJSK-CYBMUJFWSA-N 448.326 4.256 5 20 IIBD COc1cc(C)ccc1Oc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cn1 511119065 FPINKOHNKSTORS-UHFFFAOYSA-N 429.454 4.208 5 20 IIBD O=C(NC1CCCCC1)NC1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 511740707 KXPYFNSRMWFDDH-UHFFFAOYSA-N 426.517 4.451 5 20 IIBD COc1ccc(CCNC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1OC 512503058 FRLUVAJGRKLHLH-IAGOWNOFSA-N 441.528 4.067 5 20 IIBD O=C(CC(F)(F)F)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1 513013975 CVNQKNDVVHFSAJ-UHFFFAOYSA-N 433.289 4.339 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc([C@H](c3c(F)cccc3Cl)N3CCCCC3)n2)nc1 515182183 ONZUDXOPJYWUBL-IBGZPJMESA-N 431.855 4.331 5 20 IIBD CCc1nc([C@H](C)NC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cs1 517705884 QXVDFCLFVKZCCS-JTQLQIEISA-N 431.440 4.105 5 20 IIBD Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 520970216 UJJIUAABVMABCI-UHFFFAOYSA-N 434.496 4.369 5 20 IIBD Cc1ccc(Cl)cc1N1CC[C@@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 523298219 VCRQCTXDYRILLI-HNNXBMFYSA-N 428.920 4.387 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 524590763 RLVDBJLOAYROLI-MRXNPFEDSA-N 441.875 4.387 5 20 IIBD O=C(NCc1cnn(CC(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 531672089 KUJBANLLBVRLQI-UHFFFAOYSA-N 436.415 4.435 5 20 IIBD CC(C)c1ccc2c(c1)[C@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])CCC2 535689304 FNIFHSSOHDVQNA-GOSISDBHSA-N 427.526 4.103 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCO[C@H](c2cccc(OC(F)F)c2)C1 536294644 SCKDLOIWTLKXPX-INIZCTEOSA-N 446.328 4.429 5 20 IIBD COc1cc([C@@H](C)Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])ccc1OCC(C)C 537640447 ICKBWQSOBONSEM-GFCCVEGCSA-N 428.532 4.276 5 20 IIBD COc1cc(CNc2ccc([S@](C)=O)c(F)c2)c([N+](=O)[O-])cc1OCC(F)(F)F 538820497 PEZKCQYIWYMGQJ-LJAQVGFWSA-N 436.383 4.033 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CN2CCN(C)CC2)cc1 540435664 QKNPMTVUFGJOFG-UHFFFAOYSA-N 428.558 4.095 5 20 IIBD Cc1ccc(-c2nc(NC(=O)CNC(=O)c3ccc([N+](=O)[O-])c(C)c3)sc2C)s1 541094538 CQNNWGAJOJVJFT-UHFFFAOYSA-N 430.511 4.074 5 20 IIBD COC(=O)CCSc1ncccc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 542460893 CADIROSPLITKJT-UHFFFAOYSA-N 441.918 4.029 5 20 IIBD C[C@@H](C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl)c1ccc([N+](=O)[O-])cc1F 542557438 WJWWWFTZGHBIJM-SECBINFHSA-N 435.761 4.100 5 20 IIBD COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cc1[N+](=O)[O-] 542931592 FYEPNQMFFLHCAL-QGZVFWFLSA-N 433.464 4.248 5 20 IIBD CC(C)c1nnc(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)n1C 543669481 KOBQDDDQTTZJLN-UHFFFAOYSA-N 442.907 4.042 5 20 IIBD CC(C)(C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1)c1ccc([N+](=O)[O-])cc1F 545120991 KBZZIUKGDYMPBR-UHFFFAOYSA-N 440.431 4.490 5 20 IIBD CC(C)N(Cc1cc(Br)ccc1F)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] 545357144 TUPMSIBKWVCMNO-UHFFFAOYSA-N 445.310 4.237 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccccc3)c(NC(C)=O)s2)c1 549338822 GOHJJJPPFGRIQE-UHFFFAOYSA-N 426.454 4.328 5 20 IIBD C[C@@H](C(=O)NC1(c2cccc(OC(F)(F)F)c2)CCOCC1)c1cccc([N+](=O)[O-])c1 558963232 QBYWRNSWLWLHEW-CQSZACIVSA-N 438.402 4.419 5 20 IIBD CSc1ccc([C@H](CN[C@@H](c2cccc([N+](=O)[O-])c2)c2nccn2C)N(C)C)cc1 559919872 SLJIEYWDESPSOM-SFTDATJTSA-N 425.558 4.032 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCN(C/C=C\c2ccccc2)CC1 560287992 IJXMBPGQDDJRSD-DAXSKMNVSA-N 434.521 4.190 5 20 IIBD NS(=O)(=O)c1cc(N[C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1 561359184 VTMHEUYVFAECHY-IAGOWNOFSA-N 429.420 4.009 5 20 IIBD O=[N+]([O-])c1cc(F)c(CNC2(c3cccc(Br)c3)CCOCC2)c(F)c1 563689434 KSGDIDXKXRWAOQ-UHFFFAOYSA-N 427.245 4.431 5 20 IIBD O=C(N[C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 569483719 BIWLUFGSAVJXQI-ZBFHGGJFSA-N 436.386 4.451 5 20 IIBD CN(C)C(=O)C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)c2ccc(Cl)cc21 577782577 CSPOTNFGNAOZNB-LBPRGKRZSA-N 439.846 4.432 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc([C@@H]3C[C@@]34CCc3cc(Br)ccc34)n2)nc1 582028853 LHFPKONHXVUSSH-QFBILLFUSA-N 427.258 4.098 5 20 IIBD CCOC(=O)c1sc(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1C 585698639 SYCOJKHTLFSSOF-UHFFFAOYSA-N 430.385 4.004 5 20 IIBD CC1(C)CCC(c2noc([C@H]3CCCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)C3)n2)CC1 589155701 XBZSMZLJFURSMX-INIZCTEOSA-N 448.545 4.230 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccccc1C(=O)c1ccccc1 589252366 IMGOMNZPHKYXMR-UHFFFAOYSA-N 445.431 4.153 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccc(-c3nc[nH]n3)cc2F)cc1[N+](=O)[O-])c1ccccn1 590537838 SZSFBKHKQIVLDI-ZDUSSCGKSA-N 447.430 4.339 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1nc2c(C)cccc2s1 603459966 KQBRWZAMIMISGO-OAHLLOKOSA-N 444.538 4.003 5 20 IIBD O=C(c1ccc(OCC(F)(F)F)nc1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 603741908 DNFIFVUWSZKBAR-UHFFFAOYSA-N 437.296 4.136 5 20 IIBD Cc1ccccc1NC(=O)[C@@H]1CCc2ccccc2N1C(=O)Cc1ccccc1[N+](=O)[O-] 608799687 ALUCIPPFPWSTRY-QHCPKHFHSA-N 429.476 4.432 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)cc1[N+](=O)[O-] 609177701 XKZNIRQLKFEFMK-IBGZPJMESA-N 441.488 4.285 5 20 IIBD O=C(Nc1cccc(Sc2ccccc2)c1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 609398503 YEUWQIXWXLRMRX-UHFFFAOYSA-N 435.509 4.495 5 20 IIBD CC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609762594 JGEONBGCJNQEPY-QHCPKHFHSA-N 431.448 4.299 5 20 IIBD O=C(NCCOc1ccc2c(c1)OCO2)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609780950 HISXTYLYEHLMRE-UHFFFAOYSA-N 437.408 4.316 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@@H]1c1ccccc1Br 610665426 FDQMFVWDKDXHEY-QGZVFWFLSA-N 434.290 4.413 5 20 IIBD COCCN(C(=O)C[C@@H](C)c1ccncc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 610722467 RDLFCKMQDAOZJO-OAHLLOKOSA-N 426.498 4.287 5 20 IIBD CC(C)(C)OCc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 610954414 VZEXPFRZIYYGJG-UHFFFAOYSA-N 443.319 4.473 5 20 IIBD O=C(NCc1ccc(Cn2cccn2)cc1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 611996108 VMQPHANVRSXZKC-UHFFFAOYSA-N 441.491 4.382 5 20 IIBD COc1cc(Cc2noc(-c3cnc(OC(C)C)c(Cl)c3)n2)c([N+](=O)[O-])c(OC)c1 618439452 FOXHDBRWQOMPSZ-UHFFFAOYSA-N 434.836 4.088 5 20 IIBD O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCO[C@@H](c2ccccc2Br)C1 725729541 WRJZHBZOXKBLHN-LJQANCHMSA-N 446.301 4.145 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 725736498 MILLRHJADHHZOM-MRXNPFEDSA-N 440.500 4.325 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)OCc2csc(-c3ccc4c(c3)OCO4)n2)c1 726637312 GCOMZZMZBHBNHP-UHFFFAOYSA-N 442.449 4.268 5 20 IIBD Cc1c(C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 727394703 CYVDOPPESWVODC-QGZVFWFLSA-N 440.239 4.332 5 20 IIBD COc1cc(COC(=O)c2cc(F)c(Cl)nc2Cl)c([N+](=O)[O-])cc1OC(F)F 727522099 SVGWNRNTQNSZJS-UHFFFAOYSA-N 441.145 4.403 5 20 IIBD COc1ccc(COC(=O)c2cnn(-c3cccc(Br)c3)c2C)cc1[N+](=O)[O-] 730050484 GFWLXCKYLWKSPA-UHFFFAOYSA-N 446.257 4.217 5 20 IIBD O=C(OCC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)c1cc(F)cc([N+](=O)[O-])c1 731528715 OJHBPSXDDORQHI-NRFANRHFSA-N 440.452 4.127 5 20 IIBD C[C@H](OC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1nc2ccc(Cl)cc2[nH]1 732520082 AZNUAVBHFHBOOT-NSHDSACASA-N 425.832 4.443 5 20 IIBD C[C@@H](c1nc(-c2cccs2)no1)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 732983140 YIEIMCDIVXEZTI-LBPRGKRZSA-N 442.526 4.199 5 20 IIBD C[C@@H](OC(=O)[C@@H]1CCCN(Cc2ccccc2)C1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 735938660 MZRIIFAFFFULHT-NVXWUHKLSA-N 445.903 4.031 5 20 IIBD O=[N+]([O-])c1cn(CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)nc1-c1ccncc1 742146922 SYTPRHHNPHDFIK-UHFFFAOYSA-N 438.875 4.485 5 20 IIBD O=C(COC(=O)[C@@H]1SCCc2ccccc21)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 745474933 KMLZJOOXFNXQCX-QGZVFWFLSA-N 440.399 4.126 5 20 IIBD O=C(COC(=O)c1cc(Cl)ccc1OC(F)F)Nc1ccc([N+](=O)[O-])cc1Cl 748918877 RVTGQHLLWIZBJU-UHFFFAOYSA-N 435.166 4.299 5 20 IIBD CC[C@](C)(CCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)C1OCCO1 750890206 JUYNBYWIWPWDFH-QGZVFWFLSA-N 449.729 4.310 5 20 IIBD Cc1c(CSC(C)C)cccc1NC(=O)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 751285234 KRHUATQKMVRDSW-UHFFFAOYSA-N 447.469 4.477 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N(CCc1ccc(F)cc1)C1CC1 755012863 PBJCAUGUWIOIBA-UHFFFAOYSA-N 425.229 4.483 5 20 IIBD O=C(CCc1nc(-c2ccc(Cl)cc2)no1)O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 759946532 IZZONBCIVHUNHE-JKSUJKDBSA-N 445.863 4.154 5 20 IIBD CC(=O)Nc1ccc(S[C@H](C)C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 760505838 VEMMYPKNRWOLOS-CYBMUJFWSA-N 441.465 4.432 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@H](C)c2nc(-c3ccccc3)no2)CC1 760934337 YQRIRJSVWWFXSP-KRWDZBQOSA-N 449.511 4.415 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 765016383 XVACOEJXZRKESH-QGZVFWFLSA-N 428.489 4.062 5 20 IIBD O=C(NS(=O)(=O)CCCC(F)(F)F)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 766674788 HUUNNIYAXHFMOU-UHFFFAOYSA-N 448.444 4.148 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)cs1 768899320 KEIJEFGPEXXODF-CYBMUJFWSA-N 435.296 4.084 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NS(=O)(=O)c1cc(N(C)C)ccc1Br 769632623 JELAELOHYPGIIB-UHFFFAOYSA-N 448.726 4.186 5 20 IIBD O=C(OCc1cc(Br)ccc1F)c1cc(Br)ncc1[N+](=O)[O-] 769838750 LNMFRUHMCMOWSZ-UHFFFAOYSA-N 434.015 4.011 5 20 IIBD O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 771929334 XHNBWCOPYDOEDM-LLVKDONJSA-N 440.447 4.346 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)COC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1C 773602290 JUYWTEMBGWDLPH-LLVKDONJSA-N 441.303 4.070 5 20 IIBD Cc1ccc2nc([C@H]3CCCN(S(=O)(=O)c4cc([N+](=O)[O-])c(C)cc4Cl)C3)[nH]c2c1 775590221 LVEBFWFIZSXRIG-AWEZNQCLSA-N 448.932 4.310 5 20 IIBD CC(=O)N[C@H](CC(=O)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1ccc(C)cc1 776138124 FACCHVOYOBUJFP-QPPBQGQZSA-N 433.464 4.198 5 20 IIBD O=C(O)C[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(Cl)c1 776672942 LUZPXSYCLLNCEU-OAHLLOKOSA-N 431.857 4.318 5 20 IIBD CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1 777838643 OGOFHQJNNQJIJB-UHFFFAOYSA-N 437.456 4.058 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(Cl)cc(C(F)(F)F)c1 778523463 FZONKFBTMZHQLI-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H](O)c1c(Cl)cccc1Cl 778739108 KWKLVMFBSABYKK-HNNXBMFYSA-N 432.691 4.130 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@@H]3CCC(=O)[C@H](C)C3(C)C)CC2)ccc1[N+](=O)[O-] 781489264 KFFASMPRCAZVHG-YJBOKZPZSA-N 432.517 4.147 5 20 IIBD COc1cccc([C@H](O)CN(Cc2ccccc2)c2ncnc3ccc([N+](=O)[O-])cc23)c1 782150352 LGMNDCRHOMJOCR-HSZRJFAPSA-N 430.464 4.287 5 20 IIBD Cc1nn(-c2ccccc2)c2nc(C(=O)OCc3ccc(N(C)C)c([N+](=O)[O-])c3)ccc12 784494493 MWEXKTMHAQGVTD-UHFFFAOYSA-N 431.452 4.060 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)C[C@@H]21 784553223 DCAKVBFOJDMZLR-ZYSHUDEJSA-N 431.533 4.024 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1ccc([N+](=O)[O-])c2cccnc12 789075710 APOSREYWOMTCQZ-QGZVFWFLSA-N 446.246 4.412 5 20 IIBD COc1cc(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)cc([N+](=O)[O-])c1C 790629541 PHAICAORCUUAJW-UHFFFAOYSA-N 427.335 4.025 5 20 IIBD C[C@@H]1CN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 793707765 WEAUQYPJFTXKQH-KUHUBIRLSA-N 447.417 4.292 5 20 IIBD CCc1ccc(N(CC(C)C)C(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cc1 794121419 FPOLOQBIDSJHTM-UHFFFAOYSA-N 434.496 4.314 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)O[C@@H](C)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 795710426 FJYPPGZJZCXWFO-AWEZNQCLSA-N 442.468 4.406 5 20 IIBD CN(C[C@@H]1CCCO[C@H]1c1ccccc1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F 795811205 IPIUWMZNEUTCRX-LIRRHRJNSA-N 442.896 4.176 5 20 IIBD CC(C)c1[nH]nc(C(=O)O[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 796254333 GNQGKUCYCNQCRW-NXEZZACHSA-N 443.287 4.171 5 20 IIBD CC(C)CC(=O)Nc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cc1 798247754 VKJJAPAYHCCUPG-UHFFFAOYSA-N 429.857 4.173 5 20 IIBD COc1cc(C(=O)O[C@H](C)c2nccn2-c2ccccc2)c([N+](=O)[O-])cc1OC(F)F 803070268 SQIZZJFZVXKVRV-GFCCVEGCSA-N 433.367 4.309 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2ccnc(-c3ccc(Cl)cc3)n2)cccc1[N+](=O)[O-] 805657213 CDESXVMCEOTYFM-ZDUSSCGKSA-N 440.843 4.198 5 20 IIBD O=C(Cc1csc(-c2cccc(F)c2)n1)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 809678821 QLJAVCYYQGHVKY-UHFFFAOYSA-N 440.412 4.193 5 20 IIBD COc1cc(C)c(Br)cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1Cl 811831464 BIUQXPHXGPENFI-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@@]2(C)OCCc3sccc32)CC1 812258498 IZJNFBNGDUJTPL-JOCHJYFZSA-N 429.542 4.111 5 20 IIBD Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F 814482836 BXGPFZFSODDNTC-CQSZACIVSA-N 431.464 4.416 5 20 IIBD O=C(CN1CCCN(Cc2ccc(Cl)cc2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] 841585506 CMDMZVSTNNRDEZ-UHFFFAOYSA-N 437.327 4.048 5 20 IIBD Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cc2)cc1 916039274 HHKKAUSJZRWXNA-UHFFFAOYSA-N 428.441 4.269 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1nc(NCc2ccco2)ncc1Cl 917069642 WQDOMEVFCPYVFL-UHFFFAOYSA-N 436.255 4.169 5 20 IIBD CC1=C(C(=O)N(C)C)[C@@H](c2csc([N+](=O)[O-])c2)NC(=S)N1c1cc(C)ccc1C 917377607 DYQBOPURERJGJX-GOSISDBHSA-N 430.555 4.071 5 20 IIBD CN(C(=O)c1ccccc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1CCCCC1 917807117 QXBIYSASPYZICL-UHFFFAOYSA-N 447.495 4.438 5 20 IIBD CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)Oc3cc([N+](=O)[O-])ccc3C)cc2)cc1 917907232 LVOZIZMGCPZZAC-UHFFFAOYSA-N 426.450 4.296 5 20 IIBD O=C(NCc1cccc(NC(=O)c2ccncc2)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 918027121 XJKBGFRCUJBKFL-UHFFFAOYSA-N 425.832 4.217 5 20 IIBD COc1cc(COC(=O)c2cc(-c3cccc(F)c3)no2)c([N+](=O)[O-])cc1OC(F)F 919189079 ZLUILZNOFKCEIR-UHFFFAOYSA-N 438.314 4.356 5 20 IIBD CC(C)c1cccc(O[C@@H](C)C(=O)OCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 920148285 JRLCXFWSQBWIQM-AWEZNQCLSA-N 434.876 4.112 5 20 IIBD CC(C)N(CCc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1I 1317923847 VKJYXGCBNOVCSB-UHFFFAOYSA-N 438.265 4.293 5 20 IIBD COc1c(C(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)cnn1-c1ccccc1 1324045457 FGQCWAPKXOBBMY-UHFFFAOYSA-N 426.860 4.499 5 20 IIBD C[C@@H]1CCCN(C(=O)CCNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 1337645126 INTOEELVUURRJI-MRXNPFEDSA-N 433.574 4.256 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(O)c([N+](=O)[O-])c4)CCC3)cc2)cn1 1787303027 BPSUCOJLPQVYMP-UHFFFAOYSA-N 446.463 4.065 5 20 IIBD CC1(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc([N+](=O)[O-])cc4F)CCC3)cc2)CC1 1787602894 NCDZCJACCDGVCU-UHFFFAOYSA-N 425.460 4.211 5 20 IIBD COCCC(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3C)CCC2)cc1 1787831453 RIGDMDADMKMNPY-UHFFFAOYSA-N 445.903 4.341 5 20 IIBD C/C=C(/C)C(=O)NC1(c2ccc(NC(=O)c3cc(N(C)C)ccc3[N+](=O)[O-])cc2)CCC1 1790056565 OYEDFJTYEKNICJ-BNCCVWRVSA-N 436.512 4.375 5 20 IIBD Cc1ccc([C@H](C)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 1800526364 NBZVGECCSXAEDN-KQLYMOGASA-N 439.487 4.098 5 20 IIBD C[C@]1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CSc2ccccc2[N+](=O)[O-])C3)CC=CCC1 1803281654 QFGSRTDXYJUDEH-FXKZBUDASA-N 443.569 4.072 5 20 IIBD CC/C=C(\C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])n[nH]1 1823503574 SWXNRGSFUWNOKV-AIZPIVBISA-N 437.500 4.380 5 20 IIBD Cc1occc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1825905025 CVLZHSZIYYNSRQ-CYXJOQHWSA-N 441.484 4.036 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCCSCc3ccccc3F)cc2)c(C)c1[N+](=O)[O-] 15040030 SWUIEVIOXGTBHN-UHFFFAOYSA-N 442.516 4.259 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nnc(Cc2cccs2)n1C1CC1 17272989 BTFRJIZFYUBLHX-UHFFFAOYSA-N 429.527 4.213 5 20 IIBD C[C@H](OC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 17727638 BYODIVPXHABYPE-NWDGAFQWSA-N 444.425 4.338 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(=C/c1cccs1)n1nnnc1-c1ccccc1 19160996 VTPARENPRZBKON-UYRXBGFRSA-N 432.465 4.255 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C(C)C 25043512 FBWJUYNMNGRMMM-ZDUSSCGKSA-N 442.497 4.014 5 20 IIBD CCCCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nc2ccccc2c1=O 28786937 SQXLYKVQCMVFOZ-UHFFFAOYSA-N 426.498 4.144 5 20 IIBD CCc1nc(CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(F)c(F)c2)cs1 60817276 PFXJRNNYLRBRJH-UHFFFAOYSA-N 439.465 4.287 5 20 IIBD NC(=O)CSc1ccccc1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 61075491 JUGGVBJVBNHHQI-UHFFFAOYSA-N 436.493 4.037 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccn(Cc2ccccc2)c1=O 64778422 XTFIFBSMACBPQP-UHFFFAOYSA-N 432.461 4.181 5 20 IIBD COc1ccc(Cl)cc1-c1n[nH]c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)n1 68915387 HSCSOZJLAHWLNA-JTQLQIEISA-N 433.877 4.161 5 20 IIBD CN(C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccc(Oc2ccccc2)cc1 109882561 IGHBAVJADQHKEI-UHFFFAOYSA-N 426.450 4.067 5 20 IIBD O=C(c1cccc(C(F)(F)F)c1)N1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1 301112939 SGCIWXJKHBOWAU-UHFFFAOYSA-N 430.386 4.124 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N[C@@H]1CCN(c2ccc(Br)cc2)C1 301408831 NTBSOJIYVGMXJR-CQSZACIVSA-N 447.289 4.005 5 20 IIBD O=[N+]([O-])c1cc(Br)cnc1N[C@H]1CCCc2c1cnn2Cc1ccccc1 301668039 DBOSIHKCBUBKIB-INIZCTEOSA-N 428.290 4.487 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2nnc(Cc3cccc(F)c3)s2)cc1SC 410016148 QSBUMHJVOOTFSJ-UHFFFAOYSA-N 434.474 4.159 5 20 IIBD COc1cc(CN(C)C(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)ccc1O 427157123 GYPLINQZHYOMMZ-IYBDPMFKSA-N 427.501 4.064 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCC(F)(F)[C@H](CO)C1 428344783 KJOUTJHPUDGWDU-ZDUSSCGKSA-N 426.803 4.130 5 20 IIBD CCOc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)cc1Br 428436654 GDNXTEDOIMWJQB-UHFFFAOYSA-N 446.257 4.322 5 20 IIBD COc1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1N1CCCCC1=O 429955841 ZIGLYKXBVNUWFL-UHFFFAOYSA-N 448.273 4.135 5 20 IIBD COc1cc2c(c(OC)c1OC)CCN(Cc1cc([N+](=O)[O-])ccc1OC(C)C)CC2 431160524 BPVDOQWOKZWAMJ-UHFFFAOYSA-N 430.501 4.009 5 20 IIBD CC1CCN(c2ccc(CNC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)cn2)CC1 436076745 RRFUGDJHESWOGM-UHFFFAOYSA-N 444.510 4.382 5 20 IIBD O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3nnc(-c4c(Cl)cccc4Cl)o3)C2)nc1 440497594 VSAVBPFTTRRDJV-LLVKDONJSA-N 435.271 4.033 5 20 IIBD CCOc1cc(C(=O)N[C@@H](C)c2ccc(Br)s2)c([N+](=O)[O-])cc1OC 440845607 JWBHCTFONPGVFH-VIFPVBQESA-N 429.292 4.317 5 20 IIBD C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 444209580 CJXDEKMXKXWZED-BZNIZROVSA-N 431.297 4.052 5 20 IIBD Cc1ccc(-n2nc(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)cc2C)cc1 444286838 JGZBOBBFABUVFG-UHFFFAOYSA-N 444.441 5.014 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 444301349 MCYDBJWSMQFAAS-OAHLLOKOSA-N 440.425 4.374 5 20 IIBD CCOc1cc(-c2noc(-c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)n2)cc(Cl)c1O 445414695 ZJEBOYUSKBMSMG-UHFFFAOYSA-N 427.804 4.255 5 20 IIBD Cc1oc(-c2cnn(C)c2)nc1C(=O)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] 446425165 QBRSJUFTQJSLNT-UHFFFAOYSA-N 433.424 4.123 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3nc(C4CC4)oc3c2)c(Br)c1 447011998 ZAOLLWKSNVJHPQ-UHFFFAOYSA-N 438.259 4.177 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1nnc(-c2cc(Br)ccc2F)s1 460153581 YEYZVSDHMJSTKN-UHFFFAOYSA-N 437.250 4.196 5 20 IIBD COc1ccccc1-n1c(NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)nc2ccccc21 460382724 AUJYIDZTDNRJKL-UHFFFAOYSA-N 448.435 4.212 5 20 IIBD CC(C)(C)OC(=O)[C@@]12CCC[C@H]1CN(C(=O)c1ccc3[nH]c4ccccc4c(=O)c3c1)C2 467799930 VPNZWDFQUOCCRL-MRDQGFSESA-N 432.520 4.265 5 20 IIBD Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 470770968 DKQJDXCJVQZZLM-PKOBYXMFSA-N 438.402 4.494 5 20 IIBD Cc1ccc(-n2c(Cc3ccccc3)nnc2SCCn2cc([N+](=O)[O-])cn2)c(C)c1 470855074 PNDDOZBINPHDGA-UHFFFAOYSA-N 434.525 4.372 5 20 IIBD COc1ccc(Br)cc1-c1nc(Cn2ccc(C)c([N+](=O)[O-])c2=O)cs1 471382162 ODWAZLOLDKTMEZ-UHFFFAOYSA-N 436.287 4.008 5 20 IIBD CSc1nc(C(C)(C)C)nc(C)c1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 472032751 IBRNAJYWXXNXMR-UHFFFAOYSA-N 444.557 4.396 5 20 IIBD COc1ccc(Cl)cc1NC(=O)CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 474747414 BUZJEWFKSPMHAD-UHFFFAOYSA-N 445.781 4.034 5 20 IIBD O=C(Nc1cccc(CNc2ncc(Br)cc2[N+](=O)[O-])c1)c1ccccn1 474781269 XFRIBQODIPSDSN-UHFFFAOYSA-N 428.246 4.012 5 20 IIBD Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 478373791 RRFHADXFEAKPNG-XOBRGWDASA-N 434.500 4.480 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(OCc2ccccn2)c(F)c1 481972739 NRISYODQXWAVLU-UHFFFAOYSA-N 431.445 4.126 5 20 IIBD CC(C)CN(C(=O)c1cnc2c(c1)ncn2C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 484177212 OHQIONDQCVEQDY-UHFFFAOYSA-N 436.497 4.303 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)S(=O)(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1 485323703 VKFHGOSVCBBNDC-CYBMUJFWSA-N 446.506 4.431 5 20 IIBD COC(=O)c1cc(NC(=O)CCCc2ccc(Br)s2)c(C)c([N+](=O)[O-])c1 485935672 APVUHJRTCMJEOL-UHFFFAOYSA-N 441.303 4.475 5 20 IIBD COC(=O)c1cc(NC(=O)[C@H](C)Oc2cccc(Cl)c2Cl)c(C)c([N+](=O)[O-])c1 485973152 BERZBYIPUXTAEB-JTQLQIEISA-N 427.240 4.403 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1cccc(SC)c1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 486416085 CKBRIRBQMFUQPS-CQSZACIVSA-N 442.415 4.370 5 20 IIBD CCOc1cc(NC(=O)N2CCC[C@H](Oc3ncccc3F)C2)c([N+](=O)[O-])cc1OCC 486651348 NDMNQDNKZRYLGQ-AWEZNQCLSA-N 448.451 4.002 5 20 IIBD CC[C@H]1Cc2c(Br)cccc2CN1C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 487412153 QNBZONYURQAOCN-AWEZNQCLSA-N 449.301 4.352 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N[C@H]1CCSc2c(F)cccc21 488918399 VDKZKZMVDZZPKF-LBPRGKRZSA-N 447.307 4.012 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NCc1nc(C(F)(F)F)cs1 495215362 PAOPYSSPTFXZOF-UHFFFAOYSA-N 428.314 4.088 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2cccnc2OCC(F)F)cc1[N+](=O)[O-])c1ccccn1 498736689 MSOSJULSNRCIKX-CYBMUJFWSA-N 443.410 4.454 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N(Cc3ccc(C(N)=O)cc3)C3CC3)c([N+](=O)[O-])c2)cc1 498857651 RVRLJAYJPGUFGZ-UHFFFAOYSA-N 444.491 4.423 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 499296939 VAGBOTSIITYHEL-UHFFFAOYSA-N 433.873 4.420 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F 501614564 FLPFYIPTXLGVGL-WQGACYEGSA-N 441.454 4.154 5 20 IIBD CN(C(=O)CN1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1)c1ccc([N+](=O)[O-])cc1 502756393 QWHAZLCKIAZRNH-OAQYLSRUSA-N 437.475 4.314 5 20 IIBD O=C(N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1n[nH]c2ccc([N+](=O)[O-])cc12 504331574 YQOUPJGATANCJP-AWEZNQCLSA-N 430.289 4.106 5 20 IIBD CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 504912441 WHELZUYDQALPTQ-RDJZCZTQSA-N 437.587 4.067 5 20 IIBD C[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1ccc(NC(=O)c2ccncc2)cc1 505964593 PAJYHRSJYXHMPB-CQSZACIVSA-N 429.436 4.214 5 20 IIBD CC[C@H](NC(=O)N1CCOC[C@@H]1c1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 507569149 OCPDVJYAVLPOTH-FUHWJXTLSA-N 426.498 4.439 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 510454903 DBQFMVDQQMKIDF-MRXNPFEDSA-N 433.333 4.336 5 20 IIBD COc1cc(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)ccc1Cl 511373911 SLPMXMPFTASPJZ-UHFFFAOYSA-N 446.628 4.422 5 20 IIBD CCOc1cc(CN2CCC[C@@H]3CCC[C@@H]32)ccc1OCCn1c([N+](=O)[O-])cnc1C 511837498 HEMJBVYOEGNHKF-PMACEKPBSA-N 428.533 4.342 5 20 IIBD COc1ccc(CNC(=O)C2CCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)cc1 512687383 QUOGKYYKWQXISD-UHFFFAOYSA-N 449.507 4.392 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CCCC2(CCCC2)C1 512712647 SWFRVFDXNJRJBR-UHFFFAOYSA-N 428.270 4.304 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(COCCc2ccccc2)c1 515098042 ZEUAVTDMHCXICQ-UHFFFAOYSA-N 447.491 4.494 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3cccc(Cl)c3-n3cncn3)cc2[N+](=O)[O-])CC1 516115605 WEDUSKXQVJGRRQ-UHFFFAOYSA-N 440.891 4.318 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 517780481 YNVCXIVFMXWKJX-BHIYHBOVSA-N 428.489 4.152 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)cc1SC 520347767 ULQQPSPINZBVMK-GXTWGEPZSA-N 437.315 4.374 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CNCc2ccc(OC(F)F)cc2)c1 520899128 RAYLSOSWUYKDGY-UHFFFAOYSA-N 434.180 4.091 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@H](c3ccccc3)[C@H]3CCCO3)cc2)c(C)c1[N+](=O)[O-] 522570549 XJXNHGNALMNYDE-FGZHOGPDSA-N 434.496 4.107 5 20 IIBD COc1ccc(C(=O)NCC(=O)N[C@@H](CC2CCCCC2)c2ccccc2)cc1[N+](=O)[O-] 523201729 MYSAOHQRDFUUIZ-FQEVSTJZSA-N 439.512 4.161 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cc(C(F)(F)F)cnc1O 524289699 PZZDIFJYFBHUHY-UHFFFAOYSA-N 441.309 4.464 5 20 IIBD O=C(N[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1)c1cc2ccccc2o1 532288334 HZEQMVRIANCGLT-AWEZNQCLSA-N 442.859 4.421 5 20 IIBD COc1ccccc1[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1ccccn1 534060628 QEFFUYFDXWZPNZ-QHCPKHFHSA-N 432.480 4.436 5 20 IIBD COc1cc(CNC(=O)COc2cccc(C)c2[N+](=O)[O-])ccc1OCc1ccccc1 534392075 MDMUAAJNVWXMMU-UHFFFAOYSA-N 436.464 4.186 5 20 IIBD COc1cc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)sc1Br 535405806 LGTRNBQYRJRMAX-UHFFFAOYSA-N 441.303 4.111 5 20 IIBD COc1ccc(CSCC(=O)Nc2nc(-c3ccc(O)cc3)cs2)cc1[N+](=O)[O-] 536220587 LHWPTQBXBTZACV-UHFFFAOYSA-N 431.495 4.304 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCSc2ccccc21 536466614 FQMQLXWTTYREIR-INIZCTEOSA-N 432.523 4.217 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(F)c(F)cc2Br)c(Cl)c1 536656181 NSGPUGWTPNEVAR-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD CCO[C@@H]1C[C@@H](O)C12CCN(Cc1ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c1)CC2 536682265 BLMFEYZZRDDOHZ-FGZHOGPDSA-N 430.476 4.278 5 20 IIBD O=C(Nc1cccc(Oc2ccccn2)c1)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 538386490 GZRQVEUFTMYARE-UHFFFAOYSA-N 434.437 4.304 5 20 IIBD COc1ccc(Cl)cc1N1CC[C@H](NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 538499510 WDYWWLIHVVVIHE-SFHVURJKSA-N 441.919 4.026 5 20 IIBD C[C@@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(OCc2cccnc2)cc1 540325244 FOBVMXWXLUQZBT-MRXNPFEDSA-N 431.452 4.470 5 20 IIBD COc1cc(CNCCc2c[nH]c3ccc(Br)cc23)c([N+](=O)[O-])cc1OC 542482190 AOHJRKSTHDUVKM-UHFFFAOYSA-N 434.290 4.188 5 20 IIBD CN(Cc1ccccc1)C(=O)CNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 542544448 NSYISOOIPSGCKH-UHFFFAOYSA-N 441.553 4.266 5 20 IIBD CCOc1cc(Cc2noc(Cc3cccc([N+](=O)[O-])c3)n2)ccc1OCC(F)(F)F 544544680 IOZSYGUFUWYPQD-UHFFFAOYSA-N 437.374 4.499 5 20 IIBD CCN(c1ccccc1)c1ccc(CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])cc1 545346638 YWBVTJZJCQKIRW-UHFFFAOYSA-N 426.498 4.012 5 20 IIBD COc1cccc(Cc2nnc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)s2)c1 546526539 PJMCWOKPFAKHKB-UHFFFAOYSA-N 430.461 4.101 5 20 IIBD O=C1C[C@H](c2noc(-c3csc(-c4ccc([N+](=O)[O-])cc4)n3)n2)CN1Cc1ccccc1 547247720 CISIUZBCVUKDCH-INIZCTEOSA-N 447.476 4.284 5 20 IIBD O=C(NCc1cccc(NC(=O)c2cccnc2)c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 547706170 SJKHELLCKKKJSJ-UHFFFAOYSA-N 448.482 4.259 5 20 IIBD COc1cccc(OC)c1OC[C@H](O)COc1ccc(-c2ccccc2)cc1[N+](=O)[O-] 555565946 VOSDGBWWMWZOJE-GOSISDBHSA-N 425.437 4.098 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCSC[C@H]1c1nccs1 556450817 DMJSXTTWGIMQGW-ZDUSSCGKSA-N 428.333 4.053 5 20 IIBD Cc1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)ccc1-c1ccncc1 565732205 OUJGYQNOUGFGSU-GOSISDBHSA-N 436.493 4.270 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)c1 567655053 JEWJFFRBWORBSF-SFHVURJKSA-N 432.889 4.164 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC([C@H]4CCCO4)CC3)n2CCc2ccccc2)c1 569262246 GVWGHWQVBUQDHB-HSZRJFAPSA-N 447.539 4.491 5 20 IIBD CC(=O)N(C)CCc1noc(-c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])n1 570007759 ZBKGGCLUMHHTMS-UHFFFAOYSA-N 432.889 4.470 5 20 IIBD CCCN(CCC)C(=O)c1ccc(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 574083327 ASBRNBJMLDKKJC-UHFFFAOYSA-N 440.500 4.284 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(F)c1Cn1cccc(C)c1=O 575023971 NWWZWFFHNFIQBK-GOSISDBHSA-N 437.471 4.460 5 20 IIBD CC(C)(NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 583286409 OEWTXMYMORSHBL-UHFFFAOYSA-N 443.809 4.048 5 20 IIBD Cc1ccc(OC2CCN(C(=O)NCCc3c[nH]c4ccc([N+](=O)[O-])cc34)CC2)cc1C 589679454 CBDBVNIQDIWQDH-UHFFFAOYSA-N 436.512 4.488 5 20 IIBD O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1cc([N+](=O)[O-])c[nH]1 590665415 QCRBBJXTDQNERV-UHFFFAOYSA-N 427.257 4.057 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1nc2ccc(C)cc2s1 597683718 GRIJDCIJTWYSCL-MRXNPFEDSA-N 444.538 4.003 5 20 IIBD Cc1cc(=O)c(C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)nn1-c1ccccc1[N+](=O)[O-] 603553754 PLDJBVAXGSHMIK-QGZVFWFLSA-N 438.871 4.080 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] 603567764 MYVMNTPMEKOWNP-LBPRGKRZSA-N 426.441 4.315 5 20 IIBD COc1cc(CN[C@H](CO)c2c(F)cccc2F)ccc1OCc1ccc([N+](=O)[O-])cc1 609708782 WWSBLJBQNYGPFI-HXUWFJFHSA-N 444.434 4.284 5 20 IIBD Cc1cccc(CN(Cc2ccccn2)C(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)c1 609762092 DTDVRPQXZZGMTG-UHFFFAOYSA-N 428.448 4.395 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2cc(-c3ccccc3)ns2)cc1[N+](=O)[O-] 609830933 VETJFTHHCXCMRZ-UHFFFAOYSA-N 438.494 4.250 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1 609836180 RQYNMVSLDAGYOC-IBGZPJMESA-N 426.860 4.381 5 20 IIBD C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 609851690 LLHHQRKASMDERX-WCQYABFASA-N 441.340 4.490 5 20 IIBD Cc1csc(Sc2ccc(NC(=O)C(=O)NCc3ccccc3[N+](=O)[O-])c(C)c2)n1 609938082 DOOZGLVLRRXXOY-UHFFFAOYSA-N 442.522 4.074 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 610035805 GNYDMZAUZNZCLI-UHFFFAOYSA-N 448.317 4.040 5 20 IIBD Cc1cc([C@@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])c2ccccc2Cl)ccc1F 610265395 ILKIZIYTQQVWGN-GOSISDBHSA-N 435.864 4.159 5 20 IIBD Cc1ccc(NC(=O)COc2c([N+](=O)[O-])cnc3ccc(Br)cc23)c(F)c1 612661296 XMABCNKQEQZQAR-UHFFFAOYSA-N 434.221 4.371 5 20 IIBD COC(=O)c1ccc(OCC(=O)N(C)C(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 613109891 CXLJEBXKXJDOKH-UHFFFAOYSA-N 434.448 4.008 5 20 IIBD COCCN(C(=O)[C@@H]1Cc2ccc(F)cc21)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 619515315 WLCGNCKYSPKHHG-GOSISDBHSA-N 427.457 4.177 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@@H](C)c1c(Cl)cccc1Cl 726028996 IRMGJWGKRUGYKS-JTQLQIEISA-N 427.240 4.196 5 20 IIBD Cc1ccc(C(=O)Nc2cccc(CNC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])c2)cc1 727708381 QWVNTJWGEKPMRU-UHFFFAOYSA-N 425.391 4.364 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2ccc(C(C)(C)C)cc2)cc1SC 728651601 UPRHYIDEKXMDRI-UHFFFAOYSA-N 432.498 4.418 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2csc3ccccc23)cc1OC 729958037 BOKLMLDEALMVHV-ZDUSSCGKSA-N 430.482 4.334 5 20 IIBD Cc1cc(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 730108392 JCIKYKNYFZOOHV-INIZCTEOSA-N 441.532 4.490 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 730224559 ZLZSHTFAWIASAF-MRXNPFEDSA-N 444.202 4.163 5 20 IIBD CSc1cccc(N(C)C(=O)c2ccc(I)c([N+](=O)[O-])c2)c1 730490509 IRWGROFIABIAKE-UHFFFAOYSA-N 428.251 4.198 5 20 IIBD C[C@H]1CCCN(S(=O)(=O)c2ccc(CNc3nc4ccc([N+](=O)[O-])cc4s3)cc2)C1 731206682 NVTRVOXPFASZAW-AWEZNQCLSA-N 446.554 4.237 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])c(F)c1)Nc1ccc(N2CCc3ccccc32)cc1 731517348 PTFLLWAZZCEQIG-UHFFFAOYSA-N 435.411 4.224 5 20 IIBD Cc1c(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 731577922 AYKZBSLXJTUAPD-UHFFFAOYSA-N 447.407 4.290 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCNc1ccccc1S(=O)(=O)C(F)F 731918742 VNSFKYOXIQMASN-UHFFFAOYSA-N 439.362 4.134 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCc1ccnc(OC2CCOCC2)c1 733301796 CKBHPKVASOIMJD-UHFFFAOYSA-N 442.350 4.087 5 20 IIBD Cc1ccccc1COc1cccc(CC(=O)OCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 733547785 JOYVIIKQLGPGLN-UHFFFAOYSA-N 448.475 4.231 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 735637577 KBXSEVQVMYMETA-UHFFFAOYSA-N 449.379 4.210 5 20 IIBD COc1ccc([C@@H]2[C@@H](C(=O)Oc3cc([N+](=O)[O-])c(Cl)cc3C)CCC(=O)N2C)cc1 735644448 ORYUWIRKLFNBQG-MGPUTAFESA-N 432.860 4.080 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1cccc(CS(=O)(=O)NC(C)(C)C)c1 736158626 OADLQPGVICOFRC-UHFFFAOYSA-N 439.921 4.027 5 20 IIBD Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1Br 740423226 QJMIRWWAXCJSOI-OLZOCXBDSA-N 435.274 4.088 5 20 IIBD COc1ccc2cc(CN(C)C(=O)[C@H](C)OC(=O)c3cc(F)ccc3[N+](=O)[O-])ccc2c1 743196991 CHQUVRKKPZJSII-AWEZNQCLSA-N 440.427 4.100 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)ccc1[N+](=O)[O-] 744204475 NQUPKJJIBWYVKX-UHFFFAOYSA-N 449.847 4.381 5 20 IIBD COC(=O)c1ccc(Br)c(C)c1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 744381470 TYNKQESDODWRGG-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1F)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 748610444 OQCZSDGFOKIYAJ-UHFFFAOYSA-N 435.337 4.463 5 20 IIBD O=[N+]([O-])c1cccc([C@H](O)CS(=O)(=O)Cc2ccc(Oc3ccccc3)c(F)c2)c1 749717690 FSHXZBVBWNUDBH-HXUWFJFHSA-N 431.441 4.175 5 20 IIBD O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)c1ccc(Br)cc1[N+](=O)[O-] 751067382 JJORWIIYXZPPHG-CYBMUJFWSA-N 434.073 4.128 5 20 IIBD Cc1c(C(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 751110970 RMNYWQTUBJRRNT-UHFFFAOYSA-N 441.440 4.090 5 20 IIBD Cc1nc(Cl)ccc1C(=O)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 751646707 KNGAUXXBLHPYAQ-INIZCTEOSA-N 431.876 4.193 5 20 IIBD CC(C)(N/C=C1\C(=O)N(c2ccccn2)C(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 751921698 HGHAUCGMLYUIER-HKWRFOASSA-N 428.448 4.043 5 20 IIBD CC1CCN(C2CCC(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)CC2)CC1 752451922 IUGDSKBEEGKGDC-UHFFFAOYSA-N 428.577 4.358 5 20 IIBD Cc1c(Br)cc(C(=O)OCc2nnc(-c3cccc(F)c3)o2)cc1[N+](=O)[O-] 753434197 ULWWQWXYAUQEFN-UHFFFAOYSA-N 436.193 4.212 5 20 IIBD COc1ccc(OC(F)F)c(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c1 756987073 SFUQNYPEHIGIIT-UHFFFAOYSA-N 449.179 4.036 5 20 IIBD CCOc1ccccc1NC(=O)[C@H](OC(=O)c1cccc([N+](=O)[O-])c1N)c1ccccc1 758967808 XEPJSEFBIDLWIN-OAQYLSRUSA-N 435.436 4.113 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCCN2C(=O)OC(C)(C)C)cc1[N+](=O)[O-])c1ccccn1 763246846 MWZCCBKRGDFCJG-HNNXBMFYSA-N 441.488 4.161 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)Nc1cccnc1Cl 763797918 RKKDZZSXKJMTBY-UHFFFAOYSA-N 435.889 4.473 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(c2ccc(C)cc2)C1 764271111 JOEFKCGDMXLCSJ-KRWDZBQOSA-N 429.542 4.041 5 20 IIBD CC(C)(C)OC(=O)NC1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 764999643 CUNQSMKACVFNPA-UHFFFAOYSA-N 428.489 4.062 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 767192547 AQAPHBKTTUWKLC-OAHLLOKOSA-N 430.386 4.429 5 20 IIBD COCCc1noc(COC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)n1 767742477 PUVCVWNWSNVJCJ-UHFFFAOYSA-N 449.872 4.328 5 20 IIBD O=C(OCc1nc(-c2ccc(F)c(F)c2)no1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 768017761 QUAWBKKHTDDYLK-UHFFFAOYSA-N 444.375 4.404 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC(OCc2ccc(F)cc2)CC1 769161375 IWBVBLHTHLXSAS-UHFFFAOYSA-N 427.476 4.156 5 20 IIBD CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@@H]1CCN(CC(F)(F)F)C1=O 769415776 ZYGVQXOYAVCCNT-OAHLLOKOSA-N 431.798 4.103 5 20 IIBD C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 770015646 IZFRPVZRCAZFNF-CQSZACIVSA-N 445.907 4.387 5 20 IIBD CN(C)C(=O)Nc1ccc(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c(Cl)c1 770330330 HEJUDMARXLVQQP-UHFFFAOYSA-N 441.669 4.357 5 20 IIBD CC[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@H](O)c1c(F)cccc1F 771700570 LHIZPUDXXKEBNY-WBMJQRKESA-N 447.207 4.017 5 20 IIBD Cc1cc(S(=O)(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)cc([N+](=O)[O-])c1F 771750294 JAVHNTWQPJHODU-UHFFFAOYSA-N 447.463 4.010 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNC[C@@H]2COC3(CCCC3)O2)cc1 773414152 JOBRBYUSXAYVFG-JOCHJYFZSA-N 434.496 4.223 5 20 IIBD O=C(O[C@H]1CCN(c2ccccc2Cl)C1=O)c1sc(Br)cc1[N+](=O)[O-] 773601646 CFYPFVUGILAYSK-NSHDSACASA-N 445.678 4.035 5 20 IIBD O=C(O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 776130995 BMAJKRBOJOAOSD-NRFANRHFSA-N 445.391 4.030 5 20 IIBD O=C(O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1ccc(=O)n(-c2cccc(F)c2)c1 776137137 YGYCQIAAZYMYCA-QHCPKHFHSA-N 445.406 4.226 5 20 IIBD C[C@@H]1Sc2ccc(C(=O)O[C@@H](c3cccnc3)c3ccccc3[N+](=O)[O-])cc2NC1=O 776137252 YYLNIOGFUHSKAU-RBZFPXEDSA-N 435.461 4.369 5 20 IIBD COC(=O)[C@](C)(NC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 776402108 BAWBIYUJRQXPCH-QGZVFWFLSA-N 431.659 4.373 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1 777406579 FPMZCNCFXMEHSK-UHFFFAOYSA-N 447.479 4.018 5 20 IIBD O=C(NCc1ccccc1)c1ccc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc1 777954730 CDWPOBHWUMDUGJ-UHFFFAOYSA-N 425.391 4.255 5 20 IIBD CN(CC(C)(C)C)C(=O)c1cccc(C(=O)O[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)c1 778798559 WXGQAEWVJPJXKM-OAQYLSRUSA-N 439.512 4.149 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc([N+](=O)[O-])c1Br 782124847 WPUPCWAQWIQKEC-UHFFFAOYSA-N 432.133 4.119 5 20 IIBD O=C(N[C@H]1CCCC2(C1)OCCO2)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 782866175 SZJNFEDAGGADFQ-INIZCTEOSA-N 445.903 4.276 5 20 IIBD O=C(Nc1cccc(COc2ccccc2)c1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 783298719 PPZLWQAJBISNQC-UHFFFAOYSA-N 445.475 4.304 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N[C@H](c2ccccc2)C(C)C)cc1[N+](=O)[O-] 784622020 SRQNUANGKMBWJD-KRWDZBQOSA-N 434.290 4.118 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)OCC[C@H]2CCCCO2)cc1[N+](=O)[O-] 784957278 UHEVDMIAILOGON-QGZVFWFLSA-N 426.469 4.008 5 20 IIBD Cc1c(C(=O)Nc2cc(Br)c(F)cc2F)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 786661288 QTFYNYSSMCPTDQ-UHFFFAOYSA-N 430.161 4.413 5 20 IIBD C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H](O)c1c(F)cccc1Cl 787340148 YMUHVNNCCSRIQV-ABKXIKBNSA-N 449.788 4.327 5 20 IIBD COCC[C@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 790422720 YTNWKQHUZXYZCW-ZDUSSCGKSA-N 425.315 4.019 5 20 IIBD O=C(NCc1nc2ccccc2s1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 790655290 HFUZYZUYMTWQPP-UHFFFAOYSA-N 447.314 4.235 5 20 IIBD O=C(COC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccccc1SC(F)F 790743515 OBMHFNWABWLOIS-UHFFFAOYSA-N 448.806 4.426 5 20 IIBD CN(Cc1nc2ccccc2s1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 791416583 BDDOTSNFXBXKPR-UHFFFAOYSA-N 432.310 4.332 5 20 IIBD Cc1cc([C@@H](OC(=O)CCn2cc([N+](=O)[O-])cn2)C(F)(F)F)ccc1Br 792136699 DNOSBIXZBQFNJF-CQSZACIVSA-N 436.184 4.099 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1[N+](=O)[O-] 792955115 BTOUJXMFOACRPA-UHFFFAOYSA-N 447.495 4.023 5 20 IIBD COc1c(C(=O)Nc2sc3c(c2C(N)=O)-c2ccccc2CCC3)cccc1[N+](=O)[O-] 796643088 LBMCYGYRGGQMNJ-UHFFFAOYSA-N 437.477 4.172 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)C(C)(C)c1csc(-c2c(F)cccc2F)n1 796781907 BMNVVTOCWDDGOX-UHFFFAOYSA-N 436.440 4.022 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1F)c1sc(N2CCOCC2)nc1-c1ccccc1 799563939 DSRFTEJNVMTFTE-UHFFFAOYSA-N 443.456 4.051 5 20 IIBD O=[N+]([O-])c1ccc2c(I)nn(Cc3ccc(C(F)(F)F)cn3)c2c1 814266073 VVWVKEQBKDWEKB-UHFFFAOYSA-N 448.142 4.011 5 20 IIBD C[C@H](C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1)c1ccc([N+](=O)[O-])cc1F 816854531 NOAVHCYTXWSPIC-LSDHHAIUSA-N 435.496 4.276 5 20 IIBD O=C(Cn1c(COc2ccccc2)nc2ccccc21)Nc1cc([N+](=O)[O-])c(F)cc1F 897489364 FLULYVSVOWATEW-UHFFFAOYSA-N 438.390 4.440 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 916498175 GAGRUMWVTINRHP-CQSZACIVSA-N 446.765 4.181 5 20 IIBD C[C@H](OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OC(F)F)cc1 916523189 OFYFQBRYCPHVBQ-RYUDHWBXSA-N 440.424 4.247 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])s1)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 918826034 HQBTVHUTTLZDBQ-KRWDZBQOSA-N 449.488 4.243 5 20 IIBD O=C(N[C@@H]1CCc2c(Cl)cccc21)c1cc([N+](=O)[O-])ccc1I 919836902 JIAVVDJHKOGUKL-OAHLLOKOSA-N 442.640 4.270 5 20 IIBD CCCOc1ccc(COC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 920140963 SBZFGNYAGRARNG-UHFFFAOYSA-N 428.470 4.020 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1sc2ccc(F)cc2c1C 920552099 JCRYQWONYHYYCM-NSHDSACASA-N 432.429 4.450 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC1(c2ccc(Br)cc2)CCCC1 921266952 RURCFPVTZMJGTB-UHFFFAOYSA-N 437.265 4.461 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CCC(Nc4ccccc4)CC3)cc2)c(C)c1[N+](=O)[O-] 1318702573 LCTHXPZYPUMLRK-UHFFFAOYSA-N 433.512 4.173 5 20 IIBD CC(C)S(=O)(=O)N(C)C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 1325600950 ORRBUQGRCWVGJT-UHFFFAOYSA-N 428.919 4.210 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(-c2ccc3c(=O)n4c(nc3c2)CCCCC4)n1 1342550460 VZTMZFBOQZDNKR-UHFFFAOYSA-N 431.452 4.365 5 20 IIBD Cc1nscc1C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1 1787190193 XPGHJUBFPMTKDD-UHFFFAOYSA-N 426.454 4.014 5 20 IIBD Cc1cncc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccc([N+](=O)[O-])o4)CCC3)cc2)c1 1787428767 UGGYKIGDDIFFQH-VQHVLOKHSA-N 446.463 4.352 5 20 IIBD C/C=C(/C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(OC)cc3[N+](=O)[O-])cc2)CCC1 1790571624 DMBCTZJGOOILBV-XRVIQIRUSA-N 437.496 4.246 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CCC[C@H]2CCCC[C@H]21 1792398647 UBGKZMYGZBITEW-RPVYPSMYSA-N 429.517 4.046 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)c1cccs1)C2 1800698857 HRFFXUUNCUBMLP-LVQVYYBASA-N 445.516 4.159 5 20 IIBD Cc1c(F)cccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1[N+](=O)[O-] 1804338421 OCEDYYZAVGSWNB-UNGCYLFBSA-N 437.471 4.008 5 20 IIBD COc1cc(C(=O)N2CCC3(CCCN(C(=O)C4(C)CCCC4)C3)CC2)ccc1[N+](=O)[O-] 1804992640 HPKPHVAMFJWNHM-UHFFFAOYSA-N 443.544 4.029 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC2(CCCN(C(=O)c3cccs3)C2)CC1 1808064797 QMDIZCDBXOMJHJ-UHFFFAOYSA-N 441.553 4.134 5 20 IIBD CC(C)(C)CC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1824274880 PDNKXBGFLBVTCN-XSBJJCPUSA-N 431.533 4.257 5 20 IIBD O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC([C@H]2CCCCN2C(=O)CC2CCCC2)CC1 1826264887 XKAYFVAEXRUCIW-JOCHJYFZSA-N 443.544 4.114 5 20 IIBD CC[C@H](C)[C@H](C(=O)N1CCCC12CN(C(=O)Cc1cccc([N+](=O)[O-])c1)C2)c1ccccc1 1842670897 DHJCFMUINMZVLJ-CYFREDJKSA-N 449.551 4.171 5 20 IIBD CCOc1cc2c(cc1OCC)CN(C(=O)c1ccc(N3CCCC3)c([N+](=O)[O-])c1)CC2 9919940 PTOYYRZVQVRJQA-UHFFFAOYSA-N 439.512 4.191 5 20 IIBD Cc1nc(-c2cccc(NC(=O)COC(=O)CCNc3ccccc3[N+](=O)[O-])c2)cs1 11315586 XKMAMDDXCLYHFS-UHFFFAOYSA-N 440.481 4.011 5 20 IIBD CN(C)[C@H](CNc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])c1ccccc1 15131504 RVCKCNABKPHHRL-JOCHJYFZSA-N 440.525 4.110 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc2)cc1[N+](=O)[O-] 15410208 SOGIBDLLQIUDJJ-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc([N+](=O)[O-])c1 15596777 GDFWGTCBOUEVNB-QGZVFWFLSA-N 425.466 4.359 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3ccccc3)nc2C)c([N+](=O)[O-])c1 16166933 XZGWJALILIFGAJ-OAHLLOKOSA-N 435.436 4.158 5 20 IIBD CN(C)C(=O)[C@H](OC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 17656742 TVUJIGPFVGDENT-JOCHJYFZSA-N 433.464 4.193 5 20 IIBD CSc1nc2ccc(NC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)cc2s1 18080778 GZAJTJHOKIYTTI-UHFFFAOYSA-N 444.494 4.253 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)C(=O)NCc1cccs1 18521272 ZPKOPMCELYCHLB-OAHLLOKOSA-N 439.493 4.130 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3cccs3)n2C2CC2)c([N+](=O)[O-])c1 18597345 LADWFVFBUNGMNF-NSHDSACASA-N 445.526 4.378 5 20 IIBD C[C@H](OC(=O)/C=C/c1cccc(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 21347235 UIUYPRRXWJBKAG-BWNDKRECSA-N 426.322 4.336 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(Br)cc1 23419043 XMRBQALBGSDUNS-SNVBAGLBSA-N 441.665 4.045 5 20 IIBD CCC[C@H](C)NC(=O)[C@@H](C)OC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 23968943 VCASJGOAHIUHQT-WCQYABFASA-N 437.543 4.361 5 20 IIBD C[C@@H](OC(=O)CSc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(C(F)(F)F)cc1 25060167 OMMHEJIAHCZBJZ-LLVKDONJSA-N 428.388 4.276 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)CCc2ncc(-c3ccccc3F)o2)cccc1[N+](=O)[O-] 28773520 PSSOANJVJKBPTQ-AWEZNQCLSA-N 441.415 4.200 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)CC3CCCCC3)cc2)cc1[N+](=O)[O-] 29289787 GQUMJRFMMBNGAX-UHFFFAOYSA-N 445.541 4.356 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 62368039 HYVGIAUAPKOLCW-UHFFFAOYSA-N 440.422 4.218 5 20 IIBD Cc1cccc(C(=O)Nc2ccccc2C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 63835025 RNUORRQGDBVPEX-UHFFFAOYSA-N 444.491 4.118 5 20 IIBD COc1ccccc1-c1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)[nH]1 110912004 KDRZXSZQLDXZTG-UHFFFAOYSA-N 431.408 4.433 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)c1cccnc1Oc1cccc(Br)c1 117558847 AFKVJAQEPUQHQV-UHFFFAOYSA-N 428.242 4.475 5 20 IIBD Cc1c(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cnn1-c1cccc(Br)c1 303313316 STJKLZDUYCWZLR-UHFFFAOYSA-N 427.258 4.054 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)cccc1[N+](=O)[O-] 410415119 SPPXONZHGKZOSJ-HSZRJFAPSA-N 445.475 4.073 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(Oc3cc(C)[nH]n3)cc2)cc1[N+](=O)[O-] 426907649 SKUIJTVQKFSFEZ-UHFFFAOYSA-N 428.470 4.299 5 20 IIBD NC(=O)N1CCCc2ccc(NC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)cc21 427961884 ZLDNLQMZMIVWBP-UHFFFAOYSA-N 448.429 4.043 5 20 IIBD CCOc1ccc(C(=O)N(C)C)cc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 428798233 SPAVGRFZRVHPJN-UHFFFAOYSA-N 428.489 4.138 5 20 IIBD COc1cc(CCNC(=O)N[C@@H]2C[C@H]2c2cccc3ccccc23)c([N+](=O)[O-])cc1OC 430177257 MADCATZRBXNQFF-VQTJNVASSA-N 435.480 4.163 5 20 IIBD C[C@H]1[C@@H](C)Sc2ccccc2N1C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 430624396 IEKIMJZVUHBBSP-QWHCGFSZSA-N 441.538 4.404 5 20 IIBD O=C(NCCCc1nc(-c2ccncc2)cs1)c1ccc(Br)cc1[N+](=O)[O-] 431018111 DWNHMAWSGQDYBZ-UHFFFAOYSA-N 447.314 4.238 5 20 IIBD Cc1ccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)NC(C)(C)C 431210708 HHXHEOZVJVHDCY-UHFFFAOYSA-N 448.545 4.037 5 20 IIBD CN(C)CCOc1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1Cl 431330377 VWVVJUIUSPXFNV-UHFFFAOYSA-N 442.697 4.203 5 20 IIBD C[C@H]1C[C@H](N(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCN1Cc1ccccc1 431494385 LIWFSWSFQAZNQI-HNAYVOBHSA-N 446.345 4.482 5 20 IIBD O=C(Cc1cccc(OCC(F)(F)F)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 431620932 LQEJBBCPTCEIMI-UHFFFAOYSA-N 438.402 4.148 5 20 IIBD COC(=O)c1cccc(NC2CCN(C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CC2)c1 431813076 MLCQIEZHNYXNBN-UHFFFAOYSA-N 426.473 4.107 5 20 IIBD CC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1 432072133 PMGYFXVWUOPMPV-UHFFFAOYSA-N 447.694 4.323 5 20 IIBD COc1ccccc1-c1noc(C2CCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)CC2)n1 432447030 DLWFFHQRTKIWDB-UHFFFAOYSA-N 447.451 4.155 5 20 IIBD O=C(NCc1ccc(-n2ccnc2)c(F)c1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 436306664 LQNBTNWKPUJYCC-UHFFFAOYSA-N 430.414 4.075 5 20 IIBD O=C(NCc1nc2c(s1)CCCC2)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436341378 HJHHCOIWGLVCON-UHFFFAOYSA-N 425.460 4.225 5 20 IIBD CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccc(O)c([N+](=O)[O-])c1 436637095 VSQUEFUWEQIUOP-UHFFFAOYSA-N 426.256 4.098 5 20 IIBD COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1cc([N+](=O)[O-])ccc1O)CC2 436671592 ASZROZBVDVXRQW-NRFANRHFSA-N 440.477 4.167 5 20 IIBD Cc1nc(-c2cccc(NC(=O)C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)c2)cs1 437035473 KLYKLMFMWINAHG-UHFFFAOYSA-N 436.493 4.156 5 20 IIBD Cc1csc(-c2ccc(NC(=O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc2)n1 437052068 QNZFDPYAJPYEKO-UHFFFAOYSA-N 436.493 4.156 5 20 IIBD CCn1ncc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1C(F)(F)F 439930224 LYEAGZZGSWXBPX-UHFFFAOYSA-N 425.289 4.171 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@@H](c4nc(C(F)(F)F)cs4)C3)n2)cc1 441087426 HMHINPPUTUGZMI-GFCCVEGCSA-N 439.419 4.500 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccnc(Oc2ccccc2Cl)c1)c1cccc([N+](=O)[O-])c1 444496031 HFQGWBAFJFHYHB-CYBMUJFWSA-N 440.843 4.251 5 20 IIBD Cc1cc(Br)cc2cc(C(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)oc12 444628196 CDPPMFCNHJIFHE-UHFFFAOYSA-N 429.230 4.218 5 20 IIBD O=C(CCc1nc2ccccc2n1-c1ccccc1)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444634312 YKRASPVDANWSRV-UHFFFAOYSA-N 440.463 4.059 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(-c3cc4c(s3)CCCC4)o2)c1C 446778717 XKUYFCGPDQJBAU-UHFFFAOYSA-N 434.499 4.003 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 447021542 STAAJSFXWOUVDV-IBGZPJMESA-N 427.819 4.232 5 20 IIBD CN(C)c1cccc([C@@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 447030634 OYPQYCPIICEHSS-KRWDZBQOSA-N 443.447 4.205 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Sc2ccc(Br)cc2[N+](=O)[O-])c(OC)c1 447346426 DQQNYRUQWLQHMD-SNVBAGLBSA-N 441.303 4.494 5 20 IIBD CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC[C@@H](SCC)C1 460690025 GEMAZTQQMKNZLK-LJQANCHMSA-N 433.578 4.392 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)NCCSCCOc2cccc(Br)c2)c1 460992200 MPSWRUSNTOGGAG-UHFFFAOYSA-N 439.331 4.208 5 20 IIBD CC[C@@H]1CCc2c(sc3nc(Cc4cc(OC)cc(OC)c4[N+](=O)[O-])nc(O)c23)C1 462502689 IHKAYDHCNZJLTO-LLVKDONJSA-N 429.498 4.428 5 20 IIBD CCO[C@H]1C[C@@H](NCc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C12CCCC2 462759091 WJMOCTCMJDIXKN-MSOLQXFVSA-N 432.439 4.372 5 20 IIBD CC(C)(C)c1noc(COc2ccc(Oc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])cc2)n1 462865659 CSQIGIPITJFSIV-UHFFFAOYSA-N 447.469 4.050 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@H]2c2nc3ccccc3o2)c2ncccc12 464206845 HVBVBMNHIXCVTK-KRWDZBQOSA-N 438.465 4.200 5 20 IIBD COc1cc(C(=O)NC[C@@H](C)Oc2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC(F)F 464624781 AEAPDHRGBNRPBP-SNVBAGLBSA-N 430.791 4.056 5 20 IIBD O=C(Cc1csc(Cc2ccccc2)n1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464634262 ZBGQDDOTQZLOFO-UHFFFAOYSA-N 437.521 4.255 5 20 IIBD COc1cc(OCC(=O)N2CCC(c3cccc(Br)c3)CC2)ccc1[N+](=O)[O-] 466787086 DQLXDWJQGSHMPO-UHFFFAOYSA-N 449.301 4.151 5 20 IIBD COc1cc(S(=O)(=O)N2CCc3sccc3[C@H]2c2cccs2)ccc1[N+](=O)[O-] 468966581 NDMUYUWNFSTNKC-SFHVURJKSA-N 436.536 4.063 5 20 IIBD CC(=O)Nc1cc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cc(C(F)(F)F)c1 473465568 WIMGCVHUSMCDNQ-UHFFFAOYSA-N 433.346 4.214 5 20 IIBD CC1CCN(c2ccc(C(=O)N(C)[C@@H](C)c3ccc([S@](C)=O)cc3)cc2[N+](=O)[O-])CC1 473555652 VNUCITYLWSBNES-MYGHRHJXSA-N 443.569 4.402 5 20 IIBD CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)cc1 473791695 ZDBNHPUBLDAGLC-MRXNPFEDSA-N 428.489 4.081 5 20 IIBD C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F 475639904 QUBJQEWXMHUOSP-APPDUMDISA-N 445.825 4.307 5 20 IIBD Cc1ccc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c(-c2nc(C3CC3)no2)c1 476384495 BIVWDPXDVUMLNY-UHFFFAOYSA-N 428.470 4.248 5 20 IIBD C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(Br)cn1 477786312 UNTKNTBOUWOEOP-QMMMGPOBSA-N 429.068 4.006 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1NC(=O)N(C)C 478679442 JGSDNZZUIJVTBD-UHFFFAOYSA-N 439.516 4.485 5 20 IIBD COc1cc(-c2nc(C(C)(C)NC(=O)c3cccc(Cl)c3)no2)cc([N+](=O)[O-])c1C 479002206 QRNQBMSUHKOIJE-UHFFFAOYSA-N 430.848 4.280 5 20 IIBD COC(=O)[C@@](C)(NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1ccc(Cl)c(Cl)c1 479256509 MERHARQLMHLKOG-IBGZPJMESA-N 436.251 4.201 5 20 IIBD O=C(Nc1cc(F)c(F)cc1N1CCCCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 484893649 INMLGVSYUZHKPI-UHFFFAOYSA-N 427.411 4.301 5 20 IIBD CCOC(=O)[C@@H]1CCN(C(=O)c2sc(Br)cc2[N+](=O)[O-])c2ccccc21 485691345 CWUIICLDBWAYRZ-LLVKDONJSA-N 439.287 4.116 5 20 IIBD CC(C)c1ccc(CN2C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C2)cc1[N+](=O)[O-] 486441239 YZXOKRLZSOJWEY-UZUQRXQVSA-N 434.500 4.112 5 20 IIBD CC[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 488700115 MNIJLPNGCCQFTL-ZDUSSCGKSA-N 427.320 4.347 5 20 IIBD Cc1nc(C(C)(C)C)sc1C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 488900817 YVOAQOAXYYEOMS-HNNXBMFYSA-N 433.530 4.470 5 20 IIBD CCc1cc(O)nc(-c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)c2)n1 489158880 AAKXHHLODDUCKY-UHFFFAOYSA-N 430.367 4.174 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2ccccc2C)OC[C@H]1C 490009641 KUOOAWZLJVRWQB-UZLBHIALSA-N 430.526 4.244 5 20 IIBD Cn1nc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)cc1OC(F)F 491003299 PKZQYMKHTMZAHP-UHFFFAOYSA-N 426.445 4.464 5 20 IIBD Cc1nc(C2(NC(=O)CSc3ccc(C(F)(F)F)cc3[N+](=O)[O-])CCCCC2)no1 492548759 JAGZGKVFAHBVRX-UHFFFAOYSA-N 444.435 4.373 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CCCN(C(=O)c3cccc(Cl)c3)CC2)cc1[N+](=O)[O-] 492959672 KWAPAUVKCIZPES-MRXNPFEDSA-N 444.919 4.175 5 20 IIBD O=C(NCc1ccncc1)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1 498277091 QIYMDDXMGNNYJE-UHFFFAOYSA-N 442.435 4.112 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 498992292 UIPFEZSGGLYWCH-NSHDSACASA-N 436.312 4.306 5 20 IIBD Cc1ccc(OCC(=O)N2CCN(C(=O)c3cc4ccccc4c4cccnc34)CC2)cc1 499640714 MHLSRODYZMRONF-UHFFFAOYSA-N 439.515 4.060 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC(Oc2ccc(F)cc2F)CC1 501665811 MGRGBYWQUFFIIM-UHFFFAOYSA-N 445.466 4.159 5 20 IIBD CCCN(CCO)C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 501714424 NGVWGEKVBAWIFR-SAPNQHFASA-N 425.510 4.366 5 20 IIBD COC(=O)c1cc(C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)cc([N+](=O)[O-])c1 502114593 VOUHQNXFJQNTTF-UHFFFAOYSA-N 444.337 4.051 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)cc1OC 502160237 WZBBOOFKSIEQTF-ZDUSSCGKSA-N 443.431 4.302 5 20 IIBD COc1cc(C(=O)NCCc2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])cc1OC(F)F 502280285 PMWGVECSWJNRCL-UHFFFAOYSA-N 435.210 4.484 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Oc2ccnc3ccccc23)cc1 503379123 YJPZRKMPKBVOMR-UHFFFAOYSA-N 442.431 4.190 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCc2nc(-c3ccccc3)no2)cc1[N+](=O)[O-])c1ccccn1 506172739 GEZZOJWUEFYERU-HNNXBMFYSA-N 444.451 4.143 5 20 IIBD CCOc1cc(CN(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)ccc1OC(F)F 506235948 VGJBGFPGTHENNH-UHFFFAOYSA-N 444.456 4.032 5 20 IIBD Cc1ccc([C@H](CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)N2CCCC2)o1 506407418 UIPOKQXEDBDCFL-SFHVURJKSA-N 426.498 4.187 5 20 IIBD COc1ccc([C@@H]2CCCN2C(=O)COc2cc(C)c([N+](=O)[O-])cc2Cl)c(OC)c1 506444101 JHNAOCLJDVBMTG-KRWDZBQOSA-N 434.876 4.316 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CN3CCC(CCCN4CCOCC4)CC3)cs2)c1 507707733 LDWYJSWXRPHRAI-UHFFFAOYSA-N 430.574 4.043 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(CNc3ccc([N+](=O)[O-])cc3OC(F)F)cc2)C[C@@H](C)O1 509027815 BGKFSZXFRVZPGN-ZIAGYGMSSA-N 435.427 4.058 5 20 IIBD CN(C)C(=O)COc1cccc(CNCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)c1 513085471 BKUGPIIWZDJUTI-UHFFFAOYSA-N 448.523 4.120 5 20 IIBD COc1cccc(OC)c1Oc1ccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cn1 515616291 VUKPGLHUKYMJNJ-UHFFFAOYSA-N 449.419 4.476 5 20 IIBD COc1cccc(Oc2ccc(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)cc2)c1 515740240 XFJBYYBIMDORNU-UHFFFAOYSA-N 431.408 4.229 5 20 IIBD COC(=O)[C@H](CC(C)C)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] 517826609 DUCWRNNRKQMNLZ-IBGZPJMESA-N 449.529 4.012 5 20 IIBD O=C(COc1ccc(-c2ccccc2)cc1[N+](=O)[O-])Nc1ccccc1N1CCCC1=O 517914674 RALXPXWUIMFNCW-UHFFFAOYSA-N 431.448 4.406 5 20 IIBD NC(=O)c1ccc(CNc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3)cc2)c([N+](=O)[O-])c1 518320174 KBYSREPOHWLWFA-JOCHJYFZSA-N 444.491 4.283 5 20 IIBD CCOC(=O)c1c(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)sc(C)c1CC 520015180 VFPFVWWSTXVQQC-UHFFFAOYSA-N 428.470 4.142 5 20 IIBD C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 520514634 RTTVQIFPOOLKAB-ZDUSSCGKSA-N 448.882 4.453 5 20 IIBD COc1cc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c(C(=O)N2CCCCC2)cc1OC 522877363 BNXWDVYVUOCLKY-UHFFFAOYSA-N 447.875 4.144 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cccc(COC(C)C)c2)ccc1[N+](=O)[O-] 523253040 LNHCQWXXKIGBPP-OAQYLSRUSA-N 425.485 4.072 5 20 IIBD COc1cc(CCNC(=O)N2C[C@H](c3ccccc3C)C[C@@H]2C)c([N+](=O)[O-])cc1OC 523470478 GBJQHGCNVMDMCC-FUHWJXTLSA-N 427.501 4.051 5 20 IIBD O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NCCCCc1ccc([N+](=O)[O-])cc1 523497914 MJVQIZHSSVTFJD-UHFFFAOYSA-N 428.876 4.370 5 20 IIBD CCCCOc1cccc(CNC(=O)COc2ccc([N+](=O)[O-])cc2Br)c1 524104976 OMNCEGLTIRQCOE-UHFFFAOYSA-N 437.290 4.231 5 20 IIBD O=[N+]([O-])c1ccc(-c2ncn(Cc3ncc(-c4cccc(Br)c4)o3)n2)cc1 525119242 UAZFPPXKHOUOPR-UHFFFAOYSA-N 426.230 4.319 5 20 IIBD COc1ccc(CC(=O)N2CCC(c3ccccc3Br)CC2)cc1[N+](=O)[O-] 526134099 XASMMLCIKSTFIU-UHFFFAOYSA-N 433.302 4.315 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NCCc1cnccn1 527183874 BADIHHHSZWGHHP-GHRIWEEISA-N 445.504 4.284 5 20 IIBD COc1cccc(OC)c1Oc1ccc(CNC(=O)CCc2cccc([N+](=O)[O-])c2)cn1 531028307 WOMATBGTNGLXHS-UHFFFAOYSA-N 437.452 4.048 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cccc(-c2nnc3n2CCCCC3)c1 533924138 VWFJQPQDWDXVSM-UHFFFAOYSA-N 430.468 4.242 5 20 IIBD COc1ccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1OCc1ccncc1 534651338 ICOOYRREPHMMFE-UHFFFAOYSA-N 432.436 4.240 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@H](Cn4ccnn4)C3)o2)c(Br)c1 535809265 ORLAMUJSJMBUGJ-AWEZNQCLSA-N 446.305 4.121 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2noc(C(F)(F)F)n2)cc1 538693873 ZTGQUIPKYLJFAF-UHFFFAOYSA-N 440.765 4.290 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2nc(CC(C)(C)C)cs2)ccc1[N+](=O)[O-] 539537634 DYBWRFJBVRPGHI-KRWDZBQOSA-N 430.530 4.192 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(-n2nnnc2C)c1 539674704 DKZVDYILDIBRFI-UHFFFAOYSA-N 430.465 4.163 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@@H](c4n[nH]c(C5CCCCC5)n4)C3)n2)c1 540864524 JZQGQXUTXFYNBZ-QGZVFWFLSA-N 437.504 4.190 5 20 IIBD COc1ccccc1COC1CCN(c2ncc([N+](=O)[O-])c(C)c2Br)CC1 541578651 MQWYDPVTCHDDIV-UHFFFAOYSA-N 436.306 4.255 5 20 IIBD CC(=O)c1cc(Br)cc(F)c1OCC(=O)Nc1c(C)cccc1[N+](=O)[O-] 543145489 MPZNEPJEIAPAHZ-UHFFFAOYSA-N 425.210 4.025 5 20 IIBD O=C(Nc1ccc(CN2CCOCC2)c(Cl)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 543204495 WLZMALVXVYIHAX-UHFFFAOYSA-N 443.809 4.352 5 20 IIBD COc1ccc(CN[C@@H](C)c2nc(-c3ccc(Br)cc3)no2)cc1[N+](=O)[O-] 544520747 WDSXNBMIQAZFHJ-NSHDSACASA-N 433.262 4.267 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)N1CCCCC1 545154335 KZYUZRXJAYVPFV-OAQYLSRUSA-N 443.519 4.364 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCC[C@H](OCC(F)(F)F)C1 548033279 QRRPCNIGSPQPPW-ZDUSSCGKSA-N 440.368 4.143 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(Cc1ccccc1)Cc1cc[nH]n1 555869104 ISZIMGNPLZSNAE-UHFFFAOYSA-N 429.274 4.231 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 555886323 OHZSACPCEVVZIH-HOCLYGCPSA-N 438.366 4.392 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 557372964 JPWHPIOFCIBZTH-MRXNPFEDSA-N 449.287 4.111 5 20 IIBD O=C(Nc1cccc(-c2ccc(F)cc2Cl)n1)c1cc2c(cc1[N+](=O)[O-])OCCO2 561018735 HOKNBDDNJUIYQR-UHFFFAOYSA-N 429.791 4.473 5 20 IIBD CCOC(=O)C(C)(C)C1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 561072272 WGJXCOJYHXJOOX-UHFFFAOYSA-N 431.514 4.160 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CN(CCCO)Cc3ccc(Cl)c(Cl)c3)n2)c1 561556806 RUAQYSBFACLFBD-UHFFFAOYSA-N 437.283 4.336 5 20 IIBD O=C(Nc1cccc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1)c1ccc(F)cc1 570514426 HYBLQUGRHCACDH-LEWJYISDSA-N 437.475 4.456 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2c2nc(Cc3cccc4cccnc34)no2)ccc1[N+](=O)[O-] 573165298 ZFCMCDLOVNMNMW-FQEVSTJZSA-N 443.463 4.403 5 20 IIBD COC[C@H](NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])[C@@H]1CCCO1 576934262 SHFHYUROIQRUML-IRXDYDNUSA-N 436.917 4.323 5 20 IIBD CCC1(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)CCOCC1 578508442 VVQJRJVSFOWAKP-UHFFFAOYSA-N 449.554 4.069 5 20 IIBD CS(=O)(=O)c1ccnc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c1 582017801 DNEWVALHEFLDHJ-UHFFFAOYSA-N 447.856 4.091 5 20 IIBD COc1ccc(Cc2noc([C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)cc1F 582672882 LBSXNNFPEAQLMK-SFHVURJKSA-N 440.431 4.002 5 20 IIBD COc1cccc(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)c1OC 589250978 MHKWUIADCJEQJX-UHFFFAOYSA-N 434.448 4.414 5 20 IIBD Cn1nc(C2CCCC2)cc1NCc1cc(I)cc([N+](=O)[O-])c1 589316823 COBYOICBWRNIRH-UHFFFAOYSA-N 426.258 4.203 5 20 IIBD CC(=O)c1ccc(NC[C@@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)c([N+](=O)[O-])c1 603860017 JJMONKWTLSZPIC-RBZFPXEDSA-N 435.883 4.464 5 20 IIBD COc1ccc(CNC(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] 604084918 PUKZKAMODRYIEY-IYBDPMFKSA-N 440.500 4.043 5 20 IIBD Cn1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 604302682 MYVLVTSYZXLDGY-MRXNPFEDSA-N 431.452 4.156 5 20 IIBD CCCOc1cc(C)ccc1NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 608804920 MUVAVSRGXZQQBZ-HXUWFJFHSA-N 425.485 4.244 5 20 IIBD CCOc1cc(NC(=O)N2CCO[C@@H](c3cccc(F)c3)C2)c([N+](=O)[O-])cc1OCC 608994206 WFBQACQOAVJNGX-HXUWFJFHSA-N 433.436 4.137 5 20 IIBD Cc1cc(C)cc(N(CC(=O)Nc2ccccc2)C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)c1 609218612 XHVLATMHHCSWKB-UHFFFAOYSA-N 449.511 4.087 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)ccc1[N+](=O)[O-] 609909311 CBEHKMNRKSHEAQ-DKZVUGQWSA-N 439.487 4.052 5 20 IIBD Cc1ccc(N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OCC1CCOCC1 610162625 MYWODZOPVJLKLR-QGZVFWFLSA-N 427.501 4.456 5 20 IIBD CN(C)S(=O)(=O)c1ccc(Oc2ccc3ccc(C(F)(F)F)nc3c2)c([N+](=O)[O-])c1 610784548 AVTIWAPPPKBDLL-UHFFFAOYSA-N 441.387 4.204 5 20 IIBD COc1cc(C(=O)NCC23CCCN2CCC3)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 619573889 BLCXMFBYPOZNPN-UHFFFAOYSA-N 445.903 4.407 5 20 IIBD COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1 726526545 UREHUFBKKLWAKM-UHFFFAOYSA-N 437.427 4.267 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1 727220184 OOBHWCGVAPYJHF-NSHDSACASA-N 427.240 4.159 5 20 IIBD CCOCCCn1c(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)nc2ccccc21 728000502 RJFIIXXDELCYGW-UHFFFAOYSA-N 447.289 4.386 5 20 IIBD O=C1OC(c2c(F)cccc2Cl)=N/C1=C\c1ccc(Br)c([N+](=O)[O-])c1 730466425 MFEJMKSJQZDSDE-SDQBBNPISA-N 425.597 4.494 5 20 IIBD C[C@@H](OC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)Nc1cccc(Br)c1 730646314 BMQREFGCUDTYMF-SECBINFHSA-N 427.638 4.195 5 20 IIBD CCC1=C(C(=O)OC)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1Cc1cccs1 732043463 NMGQCQCHJSALSV-KRWDZBQOSA-N 435.889 4.413 5 20 IIBD Cc1cc(C)n(-c2ccc(C(=O)O[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2F)n1 732687397 DHBIHANMYKXGMO-OAHLLOKOSA-N 440.431 4.029 5 20 IIBD O=C(CSc1ccc2ccccc2c1)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 735337572 MDVZGUGABDPDFD-UHFFFAOYSA-N 438.461 4.382 5 20 IIBD C[C@@H](OC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)C(=O)Nc1cccc(C(F)(F)F)c1 735352351 JIUGTMPSYLUIBM-SNVBAGLBSA-N 449.341 4.051 5 20 IIBD C[C@H](OC(=O)c1ccc(N)c(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 738862305 PDOXUUUNSJIDQT-QMMMGPOBSA-N 431.754 4.033 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)Nc1ccc(F)cc1Cl 740423084 XLPGOCQJKFYHAO-QMMMGPOBSA-N 445.628 4.334 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1OCC1CCOCC1 741203459 KEGHHAHGUTYUEX-UHFFFAOYSA-N 429.429 4.178 5 20 IIBD CCCn1cc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cn1 742722245 ZTXRPNAPAMLLBP-UHFFFAOYSA-N 425.411 4.075 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)Nc2ccc(N3CCCC3)cc2)cc1[N+](=O)[O-] 743248425 BZESAYPNTUPPST-UHFFFAOYSA-N 440.319 4.067 5 20 IIBD C[C@@H](OC(=O)Cc1cc(F)ccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 745545654 VNRFCEOOADMTPS-SECBINFHSA-N 432.301 4.005 5 20 IIBD COc1cc(CCNC(=O)/C=C(\C)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])cc1OC 748211274 CTHLEDIZWGRNMT-JLHYYAGUSA-N 438.402 4.393 5 20 IIBD C[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H](O)c1c(F)cccc1Cl 748392396 VWVHBBSLKRITMK-BTDLBPIBSA-N 435.864 4.363 5 20 IIBD O=C(c1cc(-c2ccccc2)on1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 750582371 DCRZAWOTVNZGQU-UHFFFAOYSA-N 428.242 4.211 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Oc2ccccc2C(=O)N(C)C)cc1[N+](=O)[O-])c1ccccn1 751315718 IWWCPWRTUFXLDA-OAHLLOKOSA-N 434.452 4.084 5 20 IIBD O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1cnn(-c2cccc(Br)c2)c1 751661118 YDSUEQKDRRTYTP-UHFFFAOYSA-N 443.213 4.041 5 20 IIBD COc1cc(C(=O)N2CCC[C@H](OC(C)=O)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 752912747 QROLMUFQZFSTMR-INIZCTEOSA-N 448.859 4.217 5 20 IIBD Cn1ccnc1[C@H](NCC1(C)CCN(C(=O)OC(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1 753587761 VHLSEIODJSPTFR-LJQANCHMSA-N 443.548 4.045 5 20 IIBD C[C@H](C(=O)O[C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1F 755060734 FQOCHGMMEPFVHN-WDEREUQCSA-N 444.337 4.306 5 20 IIBD COC[C@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)c1cccc(C(F)(F)F)c1 757218794 BHSHCIRREWYYEI-INIZCTEOSA-N 431.798 4.454 5 20 IIBD CCc1noc(C)c1COC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 757953672 RKVRSGSKAPSAIB-UHFFFAOYSA-N 437.452 4.108 5 20 IIBD CC[C@H](C)c1ccc(N(CCC2OCCCO2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 760416524 KAWCGCFCCJZEIB-KRWDZBQOSA-N 448.541 4.457 5 20 IIBD O=C1C[C@H](c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)CN1c1ccc2c(c1)CCC2 762309273 PTIVUDRBBZRGQN-KRWDZBQOSA-N 443.463 4.059 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)O[C@H]3CCO[C@@H](C4CCOCC4)C3)cc2[N+](=O)[O-])C1 763149262 PBBIZTFVBPRHQR-XLJIZYSNSA-N 446.544 4.208 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 764612538 IPWZCKIYAXWCMI-UHFFFAOYSA-N 446.485 4.083 5 20 IIBD CC(C)(C)OC(=O)N1CCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 765331413 VBTPUMXFVKFREZ-UHFFFAOYSA-N 434.674 4.009 5 20 IIBD O=C(COC(=O)CCc1cncc2ccccc12)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 765580387 SQMKBECQYKPDTJ-UHFFFAOYSA-N 447.369 4.276 5 20 IIBD C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2I)c2c(O)cccc21 768662525 AEFOMPMICMYIBN-JTQLQIEISA-N 438.221 4.059 5 20 IIBD O=C(OCc1ccc(Br)cc1F)c1cc(Br)ncc1[N+](=O)[O-] 769839937 RNYJKMFKESDTMZ-UHFFFAOYSA-N 434.015 4.011 5 20 IIBD Cc1cc(S(=O)(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc([N+](=O)[O-])c1F 771753128 WRBHNSOEQDUMAY-INIZCTEOSA-N 446.460 4.008 5 20 IIBD COc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2[N+](=O)[O-])c2nccs2)cc1 775684358 GHXWVGHSFWYKDU-UHFFFAOYSA-N 439.902 4.109 5 20 IIBD O=C(O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])[C@@H]1CCCN(C(=O)c2ccccc2)C1 776137022 MBEAYSRGOLNFRG-NFBKMPQASA-N 445.475 4.175 5 20 IIBD C[C@H](CC(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)C(=O)c1ccc(Cl)cc1 777315248 XARBFDASYDNAHP-OAHLLOKOSA-N 445.903 4.312 5 20 IIBD NC(=O)c1ccccc1Oc1ccc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc1 778021023 UUSUBALTPGSKGS-UHFFFAOYSA-N 427.363 4.217 5 20 IIBD O=C(N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 778253245 FUFMEKCRCJDRLI-AWEZNQCLSA-N 446.385 4.282 5 20 IIBD CCOc1ccccc1OCc1nnc(S[C@@H](C)c2cc([N+](=O)[O-])ccc2C)n1N 778552519 IPGRSBZXTFAYAI-AWEZNQCLSA-N 429.502 4.040 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NC(=O)c1ccc([N+](=O)[O-])c(O)c1 779354598 BOUNGJVAKQUXEL-QGZVFWFLSA-N 427.457 4.455 5 20 IIBD O=[N+]([O-])c1ccc(I)c(OCc2nnc(-c3ccccc3)s2)c1 780346897 VFRDFCJUNOXTHC-UHFFFAOYSA-N 439.234 4.297 5 20 IIBD O=C1CCCN1CC[C@@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])c2ccccc21 780779103 OARJKEAJZKYLFT-OAHLLOKOSA-N 444.329 4.474 5 20 IIBD Cc1cc(C)n(Cc2cccc(-c3noc([C@H]4CC(c5ccccc5[N+](=O)[O-])=NO4)n3)c2)n1 781614058 JBSKXIGTPUUOPG-OAQYLSRUSA-N 444.451 4.372 5 20 IIBD COc1ccc(OCCSCc2c(C(F)(F)F)nn(C)c2Cl)c([N+](=O)[O-])c1 782247387 SELKSLJXTOHYPV-UHFFFAOYSA-N 425.816 4.321 5 20 IIBD CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccc([N+](=O)[O-])cc2Cl)NC(=S)N1 783941448 XZCQNYCKDKOQCC-SFHVURJKSA-N 430.917 4.297 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2C[C@H]3[C@@H](NC(=O)OC(C)(C)C)CCC[C@H]3C2)cc1[N+](=O)[O-] 784349476 DTKICELJESAEFM-KANFNMMFSA-N 446.548 4.299 5 20 IIBD CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 785664475 SJQTWHUYRWNZRK-HNNXBMFYSA-N 431.411 4.019 5 20 IIBD CCCCOCCN(C(=O)c1cc([N+](=O)[O-])ccc1N)c1cccc(Br)c1 787006156 XYQIAJXIPSFUPX-UHFFFAOYSA-N 436.306 4.403 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[C@@H]1CCC(=O)c2ccccc21 790135849 RGAFNXZOPNYCHI-LJQANCHMSA-N 434.452 4.142 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(COc3c(C(F)(F)F)ccnc3Br)n2)c1 791433727 HRWKMUFGAJZEND-UHFFFAOYSA-N 445.151 4.400 5 20 IIBD CCS[C@H](C)c1noc(CN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)n1 792914623 QKRGTYYHQGKTQM-SNVBAGLBSA-N 427.324 4.113 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)O[C@@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC 795710441 FVJDJATWSNYYNP-LBPRGKRZSA-N 436.848 4.148 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)OCc1csc(-c2ccc(OC)cc2OC)n1 795712216 VQUFFIPKHVSCRD-UHFFFAOYSA-N 444.465 4.491 5 20 IIBD COc1ccc([C@@H]2[C@H](COC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])CCC(=O)N2C)cc1 796911848 LJNPLPOZNLURNF-HTAPYJJXSA-N 440.496 4.034 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 800143623 BWPVSZRWNCVHIE-UHFFFAOYSA-N 443.884 4.025 5 20 IIBD COc1cccc(-n2nc(C)c([C@@H]3COCCN3Cc3ccc([N+](=O)[O-])c(F)c3)c2C)c1 801537983 WRMQTKJGAGPIPR-QFIPXVFZSA-N 440.475 4.119 5 20 IIBD CC[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1I)c1ccc(F)cn1 803047931 DUQTYEPOCMXZPY-CQSZACIVSA-N 430.173 4.042 5 20 IIBD Cc1c(C(=O)Nc2cccc3cc(Br)cnc23)cc([N+](=O)[O-])cc1[N+](=O)[O-] 808863406 IBSAUSOQSMCNQQ-UHFFFAOYSA-N 431.202 4.374 5 20 IIBD C[C@](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])(C(N)=O)c1cccc(C(F)(F)F)c1 809964035 DBHNLRCCUQRMPW-MRXNPFEDSA-N 436.217 4.411 5 20 IIBD Cc1cc(C(C)(C)C(=O)OCC(=O)Nc2c(C)cccc2[N+](=O)[O-])ccc1Br 811439988 JDGUMKDCHWKNMY-UHFFFAOYSA-N 449.301 4.434 5 20 IIBD O=C(NCc1cc(Br)c2c(c1)OCO2)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 812930220 JDFGOIZYKNTFOU-UHFFFAOYSA-N 448.056 4.323 5 20 IIBD Cc1cc(C(=O)O[C@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)c(Br)s1 813174534 WTPNPMAGCQPCIY-AWEZNQCLSA-N 425.304 4.159 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC(Cc2nc3ccccc3[nH]2)CC1 819926651 QREVDVHDURYWEH-UHFFFAOYSA-N 433.512 4.166 5 20 IIBD O=C(c1ccc(N2CCC[C@@H]2c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1)N1CCOCC1 864007043 PSHHVNMWWVZMNW-GOSISDBHSA-N 449.429 4.428 5 20 IIBD COc1ccccc1NC(=O)[C@@H](OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(C)C 877872978 YSOZEPDMUZALMT-LIRRHRJNSA-N 432.498 4.291 5 20 IIBD Cc1sc2nc([C@H](C)OC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)nc(O)c2c1C 915467808 AJKCIBAMIVGIPC-NSHDSACASA-N 439.453 4.026 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCc2cccnc2N2CCCCC2)CC1 921034496 HZEVFYRXCZZPEO-UHFFFAOYSA-N 437.544 4.146 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)c(Br)c1 1255184883 TWLWSUMITVFFAA-UHFFFAOYSA-N 433.228 4.410 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1ccc(S(=O)(=O)C(F)(F)F)cc1 1318912125 RTJIWEHLKBEYJJ-UHFFFAOYSA-N 448.444 4.318 5 20 IIBD C[C@@H](Sc1ccc(S(=O)(=O)C(F)(F)F)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 1319346250 PPKBRXGHSPNHAQ-SNVBAGLBSA-N 434.417 4.008 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2c1nnc(COc2ccccc2[N+](=O)[O-])o1 1322777775 JXDFIUALIIQMPT-AWEZNQCLSA-N 430.461 4.061 5 20 IIBD Cc1cccc(NC[C@@H]2CCCN2C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)n1 1324381878 RSBWBRKURHPCDK-HNNXBMFYSA-N 433.306 4.086 5 20 IIBD CC(C)(C)OC(=O)N1CCC(n2cccc2C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC1 1339615284 YOHHUPOJPTVLOJ-UHFFFAOYSA-N 440.500 4.124 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3onc4ccccc34)CCC2)cc1)c1ccc([N+](=O)[O-])o1 1785751280 XTHPISDIMYYDLT-UHFFFAOYSA-N 446.419 4.391 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)NC1(c2ccc(NC(=O)C3CC(F)(F)C3)cc2)CCC1 1785908402 ABYWWRGHTKDCDT-SOFGYWHQSA-N 445.422 4.380 5 20 IIBD Cc1cscc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CSc1ccccc1[N+](=O)[O-])C2 1797050161 UPRJIUGFBZZTBT-MUJYYYPQSA-N 445.566 4.009 5 20 IIBD Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)c(C)c1 1823613731 LIMZSDFWKNYDAG-HXUWFJFHSA-N 439.512 4.352 5 20 IIBD C[C@@H]1C[C@@]1(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1832905292 VHLAHDWHYVETND-LIKPYCHESA-N 439.556 4.274 5 20 IIBD C[C@@H](OC(=O)CCc1ncc(-c2ccccc2Cl)o1)C(=O)Nc1ccccc1[N+](=O)[O-] 12254389 WADNALKVWAQJQM-CYBMUJFWSA-N 443.843 4.406 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C(=O)N(c1nccs1)C1CCCCC1 14048637 GJSDPLAAQGFSGR-AWEZNQCLSA-N 446.529 4.029 5 20 IIBD CCc1ccccc1NC(=O)CN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 17904217 SSIXCWMCMFXPLX-UHFFFAOYSA-N 438.528 4.104 5 20 IIBD CC[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc2c(c1)OCCO2 64933993 RMLPNOVUXSXJIG-MRXNPFEDSA-N 425.466 4.371 5 20 IIBD Cc1noc(C)c1CSCC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 97000153 SDBNSWFVEYAQKJ-UHFFFAOYSA-N 425.466 4.303 5 20 IIBD C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 109274631 WBGJWMYYVODBLP-IAGOWNOFSA-N 447.495 4.151 5 20 IIBD Cc1nnnn1-c1cc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)ccc1F 110722378 PAAUPFAEOSBHKZ-UHFFFAOYSA-N 433.403 4.014 5 20 IIBD O=[N+]([O-])c1c(Sc2nnc(-c3cccnc3)n2Cc2ccccc2)nc2sccn12 301063546 BOEHONPCMLFTIB-UHFFFAOYSA-N 435.494 4.157 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N3CC[C@@H]4OCCC[C@H]4C3)c([N+](=O)[O-])c2)c(C)c1 301717055 KPLYXWBTTZOORV-JTSKRJEESA-N 445.541 4.018 5 20 IIBD C[C@H]1C[C@@H](C)CN(Cc2ccc(CNc3sc(S(C)(=O)=O)cc3[N+](=O)[O-])cc2)C1 301943796 YRUXCPDXINOOSD-GASCZTMLSA-N 437.587 4.150 5 20 IIBD CC(C)CC(=O)N1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 302982820 FOVQAJJFJXTAQO-UHFFFAOYSA-N 425.485 4.154 5 20 IIBD COCCc1ccc(Oc2ccc(NC(=O)CCn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 303247061 AYIIUFJFNNFQGI-UHFFFAOYSA-N 438.484 4.418 5 20 IIBD O=C(NCc1ccc(OCCOc2ccccc2)nc1)c1c(Cl)cccc1[N+](=O)[O-] 303513379 TZMTXWNORRACNE-UHFFFAOYSA-N 427.844 4.031 5 20 IIBD O=C(O)[C@@H](CN1CCCCC1)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 426746825 KWRBUPKTXQZCNH-QGZVFWFLSA-N 433.892 4.069 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 431437809 CZUJYZSNOOOWJI-WAIKUNEKSA-N 449.467 4.239 5 20 IIBD CC(C)(C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)c1ccccc1[N+](=O)[O-] 432002306 KDEAVXSPALCCKP-UHFFFAOYSA-N 439.493 4.312 5 20 IIBD Cc1c(NC(=O)CCN2CCC3(CCN(Cc4ccccc4)CC3)C2)cccc1[N+](=O)[O-] 433042777 GXPGPKUEYVHPBB-UHFFFAOYSA-N 436.556 4.220 5 20 IIBD O=C(NCCOCC(F)(F)C(F)F)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 434153821 NPZUEIZKCWSTSL-UHFFFAOYSA-N 431.342 4.426 5 20 IIBD O=C(Nc1ccc(Sc2ccncc2)cc1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437067073 WSONOXOXUFOLKM-UHFFFAOYSA-N 448.504 4.271 5 20 IIBD C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 437725522 NQVJUJNCQVMMIE-CQSZACIVSA-N 433.306 4.268 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(OC)c(Cc2ccccc2)c1 439831960 CSLGNHQCKJHJEO-UHFFFAOYSA-N 449.463 4.170 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)NC2(c3noc([C@H]4CCOC4)n3)CCCCCC2)c1 440094984 ANGZJXAQHMPBOF-AWEZNQCLSA-N 446.529 4.183 5 20 IIBD O=C(Nc1ccc(Br)cc1Cl)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 440703185 HXJIQBNWNUQUEC-NSHDSACASA-N 440.685 4.124 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CC(Cc4ccc(F)c(F)c4)C3)cc2)c(C)c1[N+](=O)[O-] 443684811 UDNRSKHHMMLOTI-UHFFFAOYSA-N 440.450 4.049 5 20 IIBD CCc1[nH]nc(C(=O)N(CCCN(C)C)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 444148176 XXEGWCYZBAWHHH-UHFFFAOYSA-N 435.528 4.064 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCCN(C(=O)C4CC4)CC3)cc2[N+](=O)[O-])cc1 444367180 FPSYAJPBKWCRGY-UHFFFAOYSA-N 439.537 4.139 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F 444810094 BNURWBLBLYLMHD-INIZCTEOSA-N 435.761 4.228 5 20 IIBD COc1cccc([C@@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 446936001 JENRDFYIMZNZFV-INIZCTEOSA-N 430.404 4.148 5 20 IIBD CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 446941649 MNSMAXJJKGDTKQ-UHFFFAOYSA-N 426.775 4.227 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCC[C@@H]2C(F)(F)F)c(C(F)(F)F)c1 447038358 LDYUCROQBMEHMK-KOLCDFICSA-N 434.358 4.261 5 20 IIBD O=C(c1cc(C(=O)N2CC3(CCC3)[C@@H]2C2CC2)cc([N+](=O)[O-])c1)N1CC2(CCC2)[C@@H]1C1CC1 460973118 KIUIVNIFDWCFIK-VXKWHMMOSA-N 449.551 4.404 5 20 IIBD Cc1ccc(-c2nnc(N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2C[C@H]2CCCO2)o1 461152475 IALCJQUIAOAFGQ-LJQANCHMSA-N 425.489 4.349 5 20 IIBD C[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 462411355 CQVCPUACJHNRLQ-BBRMVZONSA-N 439.331 4.172 5 20 IIBD Cc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c2cccc(S(C)(=O)=O)c2)cc1 464364719 IXZOFOOJGAVXRY-QFIPXVFZSA-N 438.505 4.135 5 20 IIBD Cn1cncc1CNC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 464707488 KIDYYHGODLHTCF-UHFFFAOYSA-N 436.415 4.428 5 20 IIBD O=C(NCCc1nnc(-c2ccccc2)o1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 466448387 GWMKZMFCRMCIBE-UHFFFAOYSA-N 429.436 4.361 5 20 IIBD C[C@@H](Oc1ccccc1NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-])c1ccccc1 467987464 BPCULGNNRUNQNU-QGZVFWFLSA-N 433.464 4.032 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(-c2ccc(C)cc2C)c1 468158898 JVOBVPKCCUSTMG-UHFFFAOYSA-N 426.498 4.388 5 20 IIBD C[C@@H](C[S@](C)=O)N(C)C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 468298503 PNOOTBBDZBVWJP-JWNZJDHWSA-N 426.947 4.238 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC(=Cc2ccc(F)c(F)c2)CC1 469446642 QWVJISQOSPSJJP-UHFFFAOYSA-N 429.423 4.350 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O 470606458 NFQJPAWWNPUPBT-UHFFFAOYSA-N 429.432 4.201 5 20 IIBD C[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@@H](c2ccsc2)O1 470630304 ZDMJROMLFJIJLX-OTYXRUKQSA-N 437.326 4.114 5 20 IIBD O=C(NCC(=O)N1CCC(Cc2ccccc2)CC1)c1cc2cc([N+](=O)[O-])ccc2s1 471728168 QPZDETMITVZUSZ-UHFFFAOYSA-N 437.521 4.021 5 20 IIBD O=C(N[C@H](C(=O)Nc1ccccc1)c1ccccc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 482053143 MAZHHZHCJOHOCL-QFIPXVFZSA-N 430.464 4.279 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 482173234 AAIUJROZUVWBLY-GOSISDBHSA-N 425.229 4.446 5 20 IIBD O=C(Nc1ccc(-n2cccn2)cc1C(F)(F)F)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 482387288 CLBFGNUZVZKWMA-UHFFFAOYSA-N 442.357 4.237 5 20 IIBD CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 484353849 UTBUKOGYMWFSKR-UHFFFAOYSA-N 448.458 4.015 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1)C(F)(F)F 485616120 QTBBCFARVXKDND-INIZCTEOSA-N 428.432 4.409 5 20 IIBD COc1ccc(CSCC(=O)NC[C@H](c2ccccc2)C(F)(F)F)cc1[N+](=O)[O-] 485789172 GKNHSYMUWXYHQS-OAHLLOKOSA-N 428.432 4.299 5 20 IIBD COC(=O)c1c(Br)ccc(NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)c1C 486352281 YGQRKGONCLDTEX-UHFFFAOYSA-N 437.246 4.022 5 20 IIBD O=C(N[C@@H](C[C@H]1CCOC1)c1ccccc1)c1sc(Br)cc1[N+](=O)[O-] 486433110 IVDBZMLJPFZELV-YPMHNXCESA-N 425.304 4.317 5 20 IIBD CC[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)c1cc(F)cc(Br)c1 486714027 CQRBHJPPPJGXBK-OAHLLOKOSA-N 438.253 4.011 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC2(CC1)OCCc1ccsc12 487482671 GJMHLYFBXONDLP-ZDUSSCGKSA-N 436.917 4.168 5 20 IIBD C[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cnn(Cc2ccccc2)c1 487852840 HJWANAJRHMGDOC-OAHLLOKOSA-N 427.892 4.096 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)c(C)c([N+](=O)[O-])c1 489093587 VVXKFMMFQIWBAD-QMMMGPOBSA-N 432.380 4.048 5 20 IIBD CN(C[C@H]1CCOC1)C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 489620931 NXXYWMGNIODSEW-CQSZACIVSA-N 437.855 4.358 5 20 IIBD CC(C)c1ccc(C(=O)N(C)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)cc1[N+](=O)[O-] 489661167 PQFQBCRQVQDPDE-UHFFFAOYSA-N 433.530 4.024 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccn(CC(F)(F)F)c1=O 489983555 QZCRWWHKWORZGK-UHFFFAOYSA-N 429.420 4.319 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCCC(=O)OC(C)(C)C)cc1[N+](=O)[O-] 491482007 QWSFNYBJSFPKPU-UHFFFAOYSA-N 444.509 4.009 5 20 IIBD COc1ccc(Nc2ncc(Br)cc2[N+](=O)[O-])cc1Oc1ccc(C)nn1 497517294 SUXVUHJZFILISF-UHFFFAOYSA-N 432.234 4.395 5 20 IIBD O=C(Nc1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccc([N+](=O)[O-])c2cccnc12 498277454 GARQDCDGNRUQJR-UHFFFAOYSA-N 447.472 4.369 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(CCn3nnc(-c4ccccc4)n3)cc2)cc1[N+](=O)[O-] 499441366 IUDYYMKZXNQAFV-UHFFFAOYSA-N 428.452 4.052 5 20 IIBD COc1cc(C(=O)NCCc2cccc(Cl)c2Cl)c([N+](=O)[O-])cc1OC(F)F 501034104 WUXBIQOZYJHWRZ-UHFFFAOYSA-N 435.210 4.484 5 20 IIBD CN(CCCc1cc(-c2ccccc2)no1)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 507197355 PSJSHWYTXBBUJM-UHFFFAOYSA-N 428.876 4.406 5 20 IIBD COc1ccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)cc1-c1ccnn1C 511060364 RLHSZHOGMBYQJZ-UHFFFAOYSA-N 448.401 4.209 5 20 IIBD CC(C)COc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2I)c1 512269967 YZWHJNXOHJNUDA-UHFFFAOYSA-N 440.237 4.487 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(NC(=O)CC(F)(F)F)cc2)cc1SC 513038828 SFZWRTLWUVWXHP-UHFFFAOYSA-N 443.403 4.469 5 20 IIBD C[C@H](Sc1nnc(COc2ccc(Cl)cc2)o1)C(=O)Nc1cccc([N+](=O)[O-])c1 514295399 JRIULCMOOJMMFJ-NSHDSACASA-N 434.861 4.330 5 20 IIBD O=C(Nc1cccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1)c1ccccc1 516786465 GFHIXKVJEPTCHE-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1 521548780 GMSFAQDAYFKDIV-UHFFFAOYSA-N 438.871 4.318 5 20 IIBD Nc1nc(Sc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)ncc1[N+](=O)[O-] 524411245 VCTZQFUWEAPBHL-UHFFFAOYSA-N 425.861 4.019 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])NCCc1csc(-c2ccc(Cl)cc2)n1 533998636 JDVIQPZPNQVIFN-UHFFFAOYSA-N 431.901 4.500 5 20 IIBD CCn1c(SCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)nc2ccc(F)cc2c1=O 534092842 DDUOHWWQKIFDTH-UHFFFAOYSA-N 426.429 4.411 5 20 IIBD C[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(NC(=O)c2ccncc2)cc1 534685367 MLEZAQIXILTZJW-OAHLLOKOSA-N 443.463 4.143 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)[C@H]1CCc2n[nH]cc2C1 536047003 DGADKQTUMIHWDJ-ZDUSSCGKSA-N 444.850 4.324 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 536192588 OKOXSQBQEXCOLB-GFCCVEGCSA-N 438.267 4.098 5 20 IIBD O=C(NCc1cccnc1-n1cccn1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 536728979 BASPFVHJJKAKRT-UHFFFAOYSA-N 430.424 4.290 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccnc(OCC(F)(F)F)c1 539359295 PVLZAVXQHNHXFS-UHFFFAOYSA-N 429.420 4.361 5 20 IIBD Cc1c(NC(=O)[C@H](C)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cccc1[N+](=O)[O-] 540393464 KLEBHSOAMIETCO-IRXDYDNUSA-N 447.495 4.228 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 542946467 NZAMYVNDGBEIBH-LJQANCHMSA-N 437.418 4.324 5 20 IIBD CC(C)(C)Oc1c(F)cc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1F 543906414 JNQFMAPUPOCVPM-UHFFFAOYSA-N 449.410 4.377 5 20 IIBD Cc1c(Cl)cccc1N1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 551444376 SGNJGJWUWCNJQX-UHFFFAOYSA-N 427.892 4.319 5 20 IIBD CCOC(=O)c1cc(C(=O)N(C)[C@H](C)Cc2ccccc2C(F)(F)F)cc([N+](=O)[O-])c1 554122414 FKUQPDXCEZPIHE-CYBMUJFWSA-N 438.402 4.494 5 20 IIBD Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1 554671185 NNNZWSKPGLPLLZ-WOJBJXKFSA-N 443.931 4.010 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])NCC1(c2ccc(Br)s2)CCC1 557074730 UDXRTIXWZKOQHX-UHFFFAOYSA-N 425.304 4.036 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)c1cc(Br)cnc1OCC1CC1 561779918 XDWOHZRSUPOKAH-UHFFFAOYSA-N 443.257 4.342 5 20 IIBD Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 570606162 DYDGYVVOGNZTMF-UHFFFAOYSA-N 434.283 4.172 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1cnn(-c2ccc(Cl)cc2)c1C 576618970 BEUCMRAGLYNRRB-LBPRGKRZSA-N 429.864 4.190 5 20 IIBD O=C(N[C@@H](c1cccc(F)c1)C1CCCC1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 584074040 XNTGMEHMBSHVAL-JOCHJYFZSA-N 439.487 4.273 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCc1cnc(-c2ccc(Cl)cc2)s1 585740601 CSRAKOLMBPJPCG-UHFFFAOYSA-N 437.930 4.034 5 20 IIBD Cc1cc(Oc2ccccc2)ccc1NC(=O)C(=O)N(C)CCc1ccccc1[N+](=O)[O-] 588693145 SGTMENFBKAXZKL-UHFFFAOYSA-N 433.464 4.335 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(NC(=O)C2CC2)cc1C(F)(F)F 603438370 DDMBHWRPKYXEAF-UHFFFAOYSA-N 436.390 4.321 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCC(c2ccccc2)CC1 603438395 DNAROLVXLJVYQQ-UHFFFAOYSA-N 429.542 4.153 5 20 IIBD CCOC(=O)c1sc(N(C(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc2)nc1C 603600689 JRYPJPFRXPDTCO-UHFFFAOYSA-N 425.466 4.444 5 20 IIBD O=C(c1ccccc1C(F)(F)F)N1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 603849729 CCYKIRWDYMZBNK-UHFFFAOYSA-N 430.386 4.124 5 20 IIBD COc1ccc(NC(=O)c2ccc([N+](=O)[O-])n2C)cc1NC(=O)c1ccc(Cl)cc1F 603998275 UYLKGQPZHFYOAO-UHFFFAOYSA-N 446.822 4.239 5 20 IIBD CCCNC(=O)CN(CCC)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 604004015 FJEYKIDIGJOSIP-UHFFFAOYSA-N 433.892 4.419 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1Oc1ccccc1Cl 604475483 LMSBDPPQAUWAHL-UHFFFAOYSA-N 425.828 4.295 5 20 IIBD CCn1c(CCNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc2ccccc21 604482800 TYKCWVKPOZFIGB-UHFFFAOYSA-N 449.433 4.144 5 20 IIBD O=C(CNc1ccccc1[N+](=O)[O-])N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 609309717 JPJQYRJSONNDGE-QGZVFWFLSA-N 428.247 4.053 5 20 IIBD COc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1NC(=O)c1cccc(F)c1 609441832 JEQWSQOWKWQEFR-UHFFFAOYSA-N 427.363 4.386 5 20 IIBD Cn1cc(CCC(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)cn1 609791645 IXQYJACKVZUOGB-UHFFFAOYSA-N 432.839 4.162 5 20 IIBD CC(C)(C)c1ncc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cn1 609856153 YHRSEDUOWVVVEJ-UHFFFAOYSA-N 435.271 4.427 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@@H](N2CCCC2)CC1 609977394 CMBLKIFGMFHGMB-OAHLLOKOSA-N 431.480 4.183 5 20 IIBD COc1ccc(OC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)CC2)cc1 610040876 UFSLWEQLKAYMJN-UHFFFAOYSA-N 435.274 4.050 5 20 IIBD CC(C)(C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccc([N+](=O)[O-])cc1 610065037 CHXJMZCQQZOWIS-GOSISDBHSA-N 435.446 4.282 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(NCc2ccc(-c3ccncc3)cc2)c([N+](=O)[O-])c1 610077264 NYUPXUBXWBEIND-UHFFFAOYSA-N 440.525 4.299 5 20 IIBD O=C(CSc1nnc(-c2cccc3ccccc23)o1)N1CCc2cc([N+](=O)[O-])ccc21 610166576 PSMVTCWJGUBGJB-UHFFFAOYSA-N 432.461 4.479 5 20 IIBD O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611199372 DDSSXYSPQZYKMW-UHFFFAOYSA-N 443.525 4.257 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CC[C@@H](OCc2ccccn2)C1 611212175 MOQKGYKMJVKAIX-GOSISDBHSA-N 427.526 4.456 5 20 IIBD O=[N+]([O-])c1ccc2ncnc(NC[C@H]3CCN(c4cccc(Br)c4)C3)c2c1 611710761 WOHMSANVSLSHPL-CYBMUJFWSA-N 428.290 4.239 5 20 IIBD Cc1cccc(OCCCNC(=O)CSc2nc3cc4ccccc4cc3c(=O)n2C)c1 613973185 OOJYSDYSIXNSQS-UHFFFAOYSA-N 447.560 4.073 5 20 IIBD COc1c(C(=O)N2CCc3[nH]c4c(Br)cccc4c3C2)cccc1[N+](=O)[O-] 619430825 RVWUEFXXNBQZBY-UHFFFAOYSA-N 430.258 4.046 5 20 IIBD COCCN(C(=O)[C@H]1Cc2ccc(F)cc21)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 619515318 WLCGNCKYSPKHHG-SFHVURJKSA-N 427.457 4.177 5 20 IIBD Cc1c(NC(=O)CCN2CCO[C@@H](c3ccccc3Br)C2)cccc1[N+](=O)[O-] 725808499 KAYSMZKWOPWWCX-LJQANCHMSA-N 448.317 4.068 5 20 IIBD C[C@@H](OC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 727220849 WXXWBBYSEHSFMX-GHMZBOCLSA-N 427.240 4.239 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(CC[C@H](O)c2ccccc2)cc1 727361043 SAXYRMVGUFYXHX-FQEVSTJZSA-N 442.493 4.070 5 20 IIBD CCOc1c(C)cc(COC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1C 727639828 BUBPDRKMRTVWTA-UHFFFAOYSA-N 442.497 4.247 5 20 IIBD O=C(OCc1nnc(-c2cccc(Cl)c2)o1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 730295298 POPYUTNQEIDOJE-UHFFFAOYSA-N 442.859 4.258 5 20 IIBD O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc2cc(Br)ccc2o1 731510472 BGUYJWOUGDCZOX-MRXNPFEDSA-N 445.225 4.066 5 20 IIBD C[C@H](OC(=O)CO[C@@H]1CCCC[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 733572423 XFWRDXNHTYNISM-BFQNTYOBSA-N 432.395 4.079 5 20 IIBD C[C@@H](C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O)C(C)(C)C 734389763 WWFKQHDQTCIDEB-SAIXKJTDSA-N 439.921 4.083 5 20 IIBD COCc1nc(OC)c2c(C)c(C(=O)OCc3cc([N+](=O)[O-])ccc3Cl)sc2n1 734974961 HOCJPUQVUXQWEK-UHFFFAOYSA-N 437.861 4.073 5 20 IIBD C[C@@H]1CN(c2ccc(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])cc2)CCO1 736492144 MAKKARKNNDYUAU-CYBMUJFWSA-N 439.390 4.013 5 20 IIBD C[C@H]1C[C@@H](c2ccc(F)cc2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 736642034 RDCKBMNXTGGPSD-WCQYABFASA-N 443.294 4.063 5 20 IIBD CC(C)(C)c1nc(COC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)no1 736864453 UKNIBGPTFDEHBW-UHFFFAOYSA-N 440.243 4.125 5 20 IIBD COc1ccc(COC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c(Br)c1OC 736865581 DJSVYNOZFXQNDH-UHFFFAOYSA-N 430.638 4.385 5 20 IIBD C[C@@H](OC(=O)c1csc(Nc2ccccn2)n1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 736898912 NOTXISCNVRMFDO-SNVBAGLBSA-N 447.860 4.027 5 20 IIBD O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1Br 740081971 IRHMQEJWYUEUMR-CQSZACIVSA-N 434.073 4.128 5 20 IIBD CCN(CC)C(=O)c1ccc(OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 741601157 UVPKAFNIEHFARN-UHFFFAOYSA-N 428.488 4.242 5 20 IIBD CCc1nc(C)c([C@@H](C)OC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)s1 741951707 WXWDFAQOUVILNO-PBHICJAKSA-N 431.514 4.140 5 20 IIBD Cc1cc(S(=O)(=O)N2c3ccccc3N(C(=O)OC(C)(C)C)C[C@@H]2C)ccc1[N+](=O)[O-] 743345826 MEJCAWRJOXWXCZ-HNNXBMFYSA-N 447.513 4.242 5 20 IIBD O=C(c1cccc2cnccc12)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 744505465 JNCMXEAXSPWAIS-UHFFFAOYSA-N 430.386 4.124 5 20 IIBD O=C(COC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1)Nc1ccc(Cl)cc1[N+](=O)[O-] 745746630 QGLMJUGMQMJZFC-OAHLLOKOSA-N 447.658 4.160 5 20 IIBD COc1ccc(NC(=O)[C@H](OC(=O)Cc2cccc([N+](=O)[O-])c2C)c2ccccc2)cc1 748471610 MYIGLCPOCKRLLW-HSZRJFAPSA-N 434.448 4.378 5 20 IIBD Cc1c(C(=O)N(C)c2ccc(Br)cc2F)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748629606 GERWGTVGLKPFDL-UHFFFAOYSA-N 426.198 4.298 5 20 IIBD Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc(Br)cc1[N+](=O)[O-] 750818747 GQQAIAOGPMEKEW-AEFFLSMTSA-N 430.302 4.114 5 20 IIBD Cc1c([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Br)cnn1-c1ccc(F)cc1 751080529 WQFROFXEMPCLRW-LLVKDONJSA-N 447.264 4.482 5 20 IIBD CCN([C@@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 751121204 IBAKMYUYPQITET-FQEVSTJZSA-N 429.473 4.238 5 20 IIBD CC(C)c1ccc(OCc2nnc(SCc3nc4cc([N+](=O)[O-])ccc4o3)n2N)cc1 751465853 JIOKIAZRDPBUIF-UHFFFAOYSA-N 440.485 4.036 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 752097850 CWVHXKJHHGUJAY-DENIHFKCSA-N 441.528 4.299 5 20 IIBD C[C@@H](Cc1ccccc1Br)NC(=O)c1cccc([N+](=O)[O-])c1Br 753837013 WDOGPLJDRDVKAR-JTQLQIEISA-N 442.107 4.481 5 20 IIBD O=C(c1ccccc1OCc1cn2ccccc2n1)N1CCCc2c1cccc2[N+](=O)[O-] 754402099 ARUSDUFCAIGCJX-UHFFFAOYSA-N 428.448 4.415 5 20 IIBD C[C@H]1CCN(C(=O)COC(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c2ccccc2S1 754991777 ZURJXGXQSCJOGS-NSHDSACASA-N 438.864 4.462 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[C@@H](Cc2ccc(F)cc2)C1 755007799 WWAQEQIWRULGLG-LBPRGKRZSA-N 425.229 4.340 5 20 IIBD Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 759040621 DGTGOTIWWKDGCH-OAHLLOKOSA-N 444.919 4.190 5 20 IIBD CC(C)[C@H](NC(=O)OC(C)(C)C)c1noc(-c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)n1 762021658 DKUOCYAZXHFHFG-INIZCTEOSA-N 428.449 4.052 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 762952069 MDSSJJGCRCMKEJ-CQSZACIVSA-N 439.428 4.094 5 20 IIBD CC(=O)c1ccc(OC(=O)c2cc(C(=O)Oc3ccc(C(C)=O)cc3)cc([N+](=O)[O-])c2)cc1 763357131 ISLIHZXUJKTVAG-UHFFFAOYSA-N 447.399 4.438 5 20 IIBD Cc1c(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2SCCO)sc2ccccc12 763744838 PHDVFRBDLZDDJQ-UHFFFAOYSA-N 431.491 4.242 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1F 764052411 MFQXRRCFMYKOFY-NSHDSACASA-N 445.428 4.050 5 20 IIBD CCS(=O)(=O)c1ccc2oc(COC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)nc2c1 767271408 BFJQFZKHHIVXAS-UHFFFAOYSA-N 446.462 4.101 5 20 IIBD O=C(OCCC(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1I 767526035 JMGVZSUBNJZLNF-UHFFFAOYSA-N 438.432 4.117 5 20 IIBD NC(=O)c1ccc(SCC(=O)OCc2ccc(-c3cccs3)cc2)c([N+](=O)[O-])c1 768488362 SSAGVFYHUYCYPJ-UHFFFAOYSA-N 428.491 4.258 5 20 IIBD C[C@@H](OC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)ccc1F 770157964 VQFOUADHNDCAQS-MRVPVSSYSA-N 445.628 4.334 5 20 IIBD O=[N+]([O-])c1ccc(-c2ncn(CN3CCC[C@@H](c4nc(C(F)(F)F)cs4)C3)n2)cc1 771865088 HXIXIRPRUZYHFL-CYBMUJFWSA-N 438.435 4.166 5 20 IIBD O=C(Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(Cl)c([N+](=O)[O-])c1 772223739 VFVVSTOZQVFTDK-QGZVFWFLSA-N 425.876 4.144 5 20 IIBD Cn1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)c2ccccc2c1=O 772230607 FGKCSDKGIRNWJC-UHFFFAOYSA-N 438.490 4.307 5 20 IIBD C[S@](=O)c1ccc(C(=O)O[C@@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])cc1 774368384 KAEKYBZEXNCFQU-QMTYFTJSSA-N 440.315 4.140 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCN1C(=O)OC(C)(C)C 775230900 JGFIFLREIDDHON-WBVHZDCISA-N 432.521 4.057 5 20 IIBD CC(C)N(Cc1ccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1)C[C@@H]1CCCCO1 775560122 OYXATZYWOWRDIF-FQEVSTJZSA-N 426.517 4.209 5 20 IIBD CCN(C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@H](C)c1ccc(F)cc1 778889875 DGDVRGMHXKBSSL-GFCCVEGCSA-N 440.374 4.102 5 20 IIBD Cc1cc(Br)ccc1CC(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 778902453 KSHSMKYRBSYOTR-CYBMUJFWSA-N 435.274 4.087 5 20 IIBD CCO[C@@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1(C)C 780857447 YKKQSVWKRLMALA-YLEKAMJDSA-N 449.548 4.179 5 20 IIBD CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)OCc1ccc([N+](=O)[O-])c(C)c1 781470287 OLUASZAWARAHOB-KRWDZBQOSA-N 436.917 4.152 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])O[C@H](Cc1ccc(F)cc1)C(F)(F)F 781754783 WTGGPJBGRSYFCO-MRXNPFEDSA-N 430.310 4.292 5 20 IIBD C[C@@H]1COCCN1c1ccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1 781934145 CCUKINFIKUNVEO-CQSZACIVSA-N 449.457 4.437 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)C[C@@H]21 784028055 BESBZMISNURZAQ-DZFGPLHGSA-N 441.532 4.041 5 20 IIBD C[C@H](CC(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1c[nH]c2ccccc12 786404581 OFYGJRKRQMUBRL-SJORKVTESA-N 435.480 4.418 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc(CC[C@H](O)c2ccccc2)cc1 786775763 XBLNSWMELAGQRY-NRFANRHFSA-N 426.494 4.408 5 20 IIBD Cc1nc2ccccc2cc1C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791174408 YAIYAHSGQOGFJY-UHFFFAOYSA-N 426.270 4.412 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCOc2c(Br)cccc2C1 792127819 AFVDDUGZXPCFJR-UHFFFAOYSA-N 440.681 4.115 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)c1cc(S(=O)(=O)C2CCCC2)ccc1F 797484811 CDAJHMVSZKLXFD-UHFFFAOYSA-N 443.456 4.251 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1 798523368 JJIFHQFWFWBACM-AOMKIAJQSA-N 431.920 4.044 5 20 IIBD COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1Cl 800930769 RJPJULYZRNQMFJ-JTQLQIEISA-N 435.285 4.116 5 20 IIBD COc1ccc(CNCC(F)(F)Br)cc1OCc1ccc([N+](=O)[O-])cc1 808420534 ICETZYAEDHLPGJ-UHFFFAOYSA-N 431.233 4.260 5 20 IIBD COc1ccc([C@@H](CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])N(C)C)cc1OC 811471888 MFBRFHVXRBMTSV-MRXNPFEDSA-N 428.316 4.311 5 20 IIBD COc1ccc([C@H](O)C2CCN([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 812856348 OZDONTHQOBOOEW-SZNDQCEHSA-N 447.919 4.029 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1cc(I)cc([N+](=O)[O-])c1 813243913 FEQZUIDPSKHRBW-UHFFFAOYSA-N 447.572 4.013 5 20 IIBD C[C@H](N[C@H](C)c1ccc(-n2cccn2)c(F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 815144399 ZBEGULBOWNLBOI-OLZOCXBDSA-N 431.855 4.251 5 20 IIBD O=C(O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])C1CCC(OC[C@H]2CCCO2)CC1 816005312 HXRIDOLMAHHYOR-IRIUNPIQSA-N 440.496 4.377 5 20 IIBD CCOC(=O)c1cc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c2ccccc2n1 821645961 WEGOSSYUSJPLOL-UHFFFAOYSA-N 444.241 4.335 5 20 IIBD CC[C@@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccc(Cl)cc1 847136917 ASVBPQXTUUSTIE-LJQANCHMSA-N 445.903 4.273 5 20 IIBD C[C@@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1c(F)cccc1Cl 852586476 RCHPDURTUMITHT-GFCCVEGCSA-N 440.880 4.070 5 20 IIBD CC[C@H]1CCCCN1C(=O)c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 867389112 YCLIFDWVUQJOGR-KRWDZBQOSA-N 432.498 4.076 5 20 IIBD CN(C(=O)COC(=O)CCOc1ccccc1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 914999077 FONMSUCONUWUCL-UHFFFAOYSA-N 434.448 4.237 5 20 IIBD C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1Cl 917763575 RQZOMOUNCHNMCM-LBPRGKRZSA-N 446.847 4.423 5 20 IIBD CCc1ccc(N2C(=S)N[C@@H](c3csc([N+](=O)[O-])c3)C(C(=O)N(C)C)=C2C)cc1 918030551 WAQBTPAHMFVJOL-SFHVURJKSA-N 430.555 4.017 5 20 IIBD CC(=O)Nc1cccc(NC(=O)[C@H](OC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C(C)C)c1 919212603 VDGUQXOGHCBPBD-HXUWFJFHSA-N 439.424 4.120 5 20 IIBD C[C@H](Oc1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cn1)c1ccccc1 919213630 GKZFSBZGVPUWBZ-JKSUJKDBSA-N 435.436 4.314 5 20 IIBD C[C@@H](OC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc(Cl)ccc1F 920778015 GNCGKQDXQWUQKC-NXEZZACHSA-N 445.230 4.378 5 20 IIBD Cc1ccc(NC(=O)N2CCN(Cc3ccc([N+](=O)[O-])cc3Br)CC2)cc1 1116675386 DMGNARWJWBIUCG-UHFFFAOYSA-N 433.306 4.015 5 20 IIBD Nc1c(C(=O)Nc2ccccc2OCC(F)(F)F)cc(Br)cc1[N+](=O)[O-] 1116935094 OFUQEUIGHMNPTN-UHFFFAOYSA-N 434.168 4.133 5 20 IIBD CC(=O)NCc1ccc(-c2csc(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)n2)cc1 1321639423 CZZPLTBAPZZYCT-UHFFFAOYSA-N 435.465 4.088 5 20 IIBD COc1cc(-c2nnc(-c3cc([N+](=O)[O-])ccc3N3CCCCC3)o2)cc(OC)c1OC 1323794934 YYAQFRMKJOFZCV-UHFFFAOYSA-N 440.456 4.328 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc(Br)s1 1327829047 YNELPWQCMCHCNA-UHFFFAOYSA-N 438.177 4.477 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2[nH]c3ccc(C)cc3c2Cl)c([N+](=O)[O-])c1 1337407864 XLAQRVQANWTJMG-NSHDSACASA-N 431.832 4.231 5 20 IIBD COc1ccc(CSCC(=O)N2CCCCC[C@@H]2c2c(C)n[nH]c2C)cc1[N+](=O)[O-] 1339137688 QTNKIKGLXYPOSQ-QGZVFWFLSA-N 432.546 4.320 5 20 IIBD COc1ccc(NC(=O)N(Cc2ccccc2)C[C@H](O)c2cccs2)c([N+](=O)[O-])c1 1349872624 DFLUCNFYSQQBIB-IBGZPJMESA-N 427.482 4.433 5 20 IIBD CC[C@H](C(=O)Nc1ccc(C2(NC(=O)c3n[nH]cc3[N+](=O)[O-])CCC2)cc1)c1ccccc1 1787645796 DAZUTNCGHMXFMA-IBGZPJMESA-N 447.495 4.259 5 20 IIBD Cc1ccc2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3ccc([N+](=O)[O-])o3)sc2c1 1792399893 FTBKFRGLYKKMLI-MUJYYYPQSA-N 439.493 4.277 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCCC2(CCN(C(=O)CCC3CCCC3)CC2)C1 1805682118 HIQQNSDWGXFOPT-JXMROGBWSA-N 443.544 4.403 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC2(CCN(C(=O)c3c(F)ccc([N+](=O)[O-])c3C)CC2)C1 1805787273 VKVVLCYSSZXMBC-INIZCTEOSA-N 433.524 4.323 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2Cl)[nH]n1)c1ccc([N+](=O)[O-])o1 1814311717 MMKSDGHZCXOEHQ-OAHLLOKOSA-N 443.847 4.184 5 20 IIBD C[C@@H]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(F)c2[N+](=O)[O-])n[nH]1 1821170639 YGWCDRLXPWTYIP-QWQRMKEZSA-N 443.479 4.199 5 20 IIBD CC(C)(C)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cc([N+](=O)[O-])ccc2F)CC1 1826332414 HMDORPUPWZNNEH-OAQYLSRUSA-N 447.551 4.332 5 20 IIBD CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)CSc3ccccc3[N+](=O)[O-])CC2)CC1 1831776166 JYVSSIJDKDPJNH-GOSISDBHSA-N 445.585 4.107 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)[C@H]2Cc3ccccc3O2)c2ccccc2)c([N+](=O)[O-])c1 10615355 XZFXPRPRHNKVTC-YADHBBJMSA-N 432.432 4.130 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)Cc1ccc(-c2ccccc2)cc1 10715614 LKXPHVWYRUWUSC-MRXNPFEDSA-N 434.448 4.383 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)ccc1F 15790990 WPJVHUKEVBPONQ-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD NC(=O)c1ccc(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1 16020923 YVPQSZXGQYEHAL-UHFFFAOYSA-N 437.477 4.004 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c([N+](=O)[O-])c1 16772244 STRQWKLACYOLQO-ZDUSSCGKSA-N 437.452 4.148 5 20 IIBD CCOc1ccc(NC(=O)CSc2nnc(Nc3cccc(F)c3)s2)c([N+](=O)[O-])c1 22170987 WVQAKRPXNQXLMA-UHFFFAOYSA-N 449.489 4.459 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccccc2C(=O)c2ccccc2)cccc1[N+](=O)[O-] 22463438 GDARDKRHUXTPOI-MRXNPFEDSA-N 432.432 4.318 5 20 IIBD COc1cccc(Nc2nnc(SCCC(=O)Nc3ccc([N+](=O)[O-])cc3)s2)c1 26355726 OJJGADCOQGQHPW-UHFFFAOYSA-N 431.499 4.319 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H](C)CN2CCCCC2)cc1[N+](=O)[O-] 27764210 NRMHXDSRSIUZFK-MRXNPFEDSA-N 441.553 4.152 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OC3CCCC3)cc2)cc1OC 29377169 SJURWIXEVZIIGE-UHFFFAOYSA-N 430.457 4.202 5 20 IIBD O=C(NC[C@H](c1ccccc1)N1CCOCC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 30701251 PKECDJFSTWTUHV-XMMPIXPASA-N 446.507 4.142 5 20 IIBD CCOc1ccc(NC(=O)CN2CCC(C(=O)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 60483657 POXKHFXRJZHUPS-UHFFFAOYSA-N 445.903 4.180 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1ccc(-n2cnc3ccccc32)cc1 61284034 ISUHWXANLYGOON-UHFFFAOYSA-N 425.448 4.205 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)N1CCc2[nH]c3c(Br)cccc3c2C1 63069406 GQMXIJYWIGVYHT-UHFFFAOYSA-N 429.274 4.107 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NC[C@@H](c3ccco3)N(C)C)cc2[N+](=O)[O-])n1 69040092 BZKUVYLXQSDALQ-HNNXBMFYSA-N 432.527 4.137 5 20 IIBD O=C(NCCCOc1cccc2cccnc12)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 111223265 ASVRVMXRCJNCNX-UHFFFAOYSA-N 449.385 4.283 5 20 IIBD C[C@@H](CNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)CN1CCN(C)CC1 237407220 YYKYVEAFQVZVFQ-KRWDZBQOSA-N 432.952 4.014 5 20 IIBD O=C(Nc1ccc(F)c([N+](=O)[O-])c1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 247327414 NRUPWLXGXQAHNP-UHFFFAOYSA-N 426.853 4.113 5 20 IIBD O=C(c1ccc(N[C@H](c2ccccc2)c2cccc(F)c2)c([N+](=O)[O-])c1)N1CCOCC1 301609460 PQIGVAIGEXHNQS-HSZRJFAPSA-N 435.455 4.408 5 20 IIBD O=C(Nc1ccnn1[C@@H]1CCCc2ccccc21)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 303155150 UCNCMBXCRDANBL-OAQYLSRUSA-N 428.452 4.155 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 303467763 MYBFAQGPISOIGY-UHFFFAOYSA-N 434.427 4.489 5 20 IIBD O=C([C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1CCC(CCc2ccccc2)CC1 303489072 LLZLTNDBFNFGNC-IBGZPJMESA-N 441.553 4.132 5 20 IIBD O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1OC1CCCC1 428884408 FLCDOVOOHVNYGZ-UHFFFAOYSA-N 446.891 4.008 5 20 IIBD CCCc1c(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cnn1-c1ccccc1C 429273421 GTESCJIJMHTKLX-UHFFFAOYSA-N 430.468 4.479 5 20 IIBD O=C(NCc1cccc(OCC(F)(F)F)c1)c1ccc(Br)cc1[N+](=O)[O-] 429939833 DXLIXPVIYJJWKI-UHFFFAOYSA-N 433.180 4.228 5 20 IIBD C[C@]1(CCc2ccccc2)CCN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 434254575 DHDKOPIEHSECBW-DEOSSOPVSA-N 437.496 4.154 5 20 IIBD O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 435835922 OLAMDLXWZCJRKJ-JOCHJYFZSA-N 429.495 4.387 5 20 IIBD Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c(C)c1 436099715 GDZJUKSSTWVZLY-UHFFFAOYSA-N 445.494 4.456 5 20 IIBD CN(C)CCCOc1ccc(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1 436320813 IJQWPPWHVWSJKS-UHFFFAOYSA-N 447.510 4.081 5 20 IIBD CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCOc2ccc(Br)cc21 438481455 XPITZINPKXYRQW-KRWDZBQOSA-N 435.274 4.179 5 20 IIBD Cc1ccc([C@H](OC[C@@H](O)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)c2ccccc2)cc1 438820418 PPYMJPJKUWNQDK-BJKOFHAPSA-N 444.491 4.329 5 20 IIBD Cc1cc(C(=O)N(C[C@H]2CCN(Cc3ccccc3)C2)CC(F)(F)F)cc([N+](=O)[O-])c1 440415568 LRGRFHIVISDQID-SFHVURJKSA-N 435.446 4.430 5 20 IIBD CC(C)[C@](C)(O)CNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 440569357 QWNFCGCTGPSHQM-HXUWFJFHSA-N 431.539 4.493 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(Cc1cc(F)ccc1F)C1CCCC1 441913103 UANVTZDIXOSCBI-UHFFFAOYSA-N 431.439 4.400 5 20 IIBD Cc1cc(C)cc(N(CC(=O)Nc2ccccc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 442353865 LZCWTQOGHRADSC-UHFFFAOYSA-N 439.493 4.046 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1 442835026 CQAZKJODMXJZLO-DOTOQJQBSA-N 442.459 4.313 5 20 IIBD O=C(NCc1nc(-c2cccc(Cl)c2)no1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444027355 CFHLHBOALXYKMN-UHFFFAOYSA-N 448.841 4.454 5 20 IIBD C[C@H](NC(=O)Cc1noc(Cn2c3ccccc3c(=O)c3ccccc32)n1)c1ccccc1 445294985 KWTXGYFBFOESNI-KRWDZBQOSA-N 438.487 4.006 5 20 IIBD CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])C1 446424197 BHZQYBFWEUIVNE-MJGOQNOKSA-N 439.512 4.397 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(COCC3CC3)c2)c(C(F)(F)F)c1 447008976 ACGYXLIGLNEXJP-UHFFFAOYSA-N 430.404 4.341 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NC[C@@]1(CO)C[C@H]1c1ccc(F)cc1 447682419 YMWFXUWSNDHYSC-BLLLJJGKSA-N 435.324 4.361 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccn(C)n1 462605781 IPMAUCKTARFTAB-IERDGZPVSA-N 426.904 4.456 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 462903693 QQHLLRMDWJUADV-UTKZUKDTSA-N 440.500 4.103 5 20 IIBD COC(=O)c1ccc(NCc2cc(OC)c(F)cc2[N+](=O)[O-])c(OCC(F)(F)F)c1 464085317 CGIPBKJBJFXRLS-UHFFFAOYSA-N 432.326 4.082 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cn1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464658983 FGPPYBMCKNIDTN-UHFFFAOYSA-N 441.431 4.171 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N(Cc1cccc(Br)c1)C1CCOCC1 468156317 DHSIQZNXFDTDES-UHFFFAOYSA-N 425.304 4.240 5 20 IIBD COC(=O)COc1ccc(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)c2ccccc12 468208963 LVEABJHQLUGMGK-UHFFFAOYSA-N 426.450 4.274 5 20 IIBD O=C(NC[C@H]1CCCN(c2ccccc2)C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 469124485 IGUQVHIPLRLICG-OAHLLOKOSA-N 437.418 4.182 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)cc1[N+](=O)[O-] 469324456 IHGXDOBPMKVEOC-GFCCVEGCSA-N 445.257 4.017 5 20 IIBD COc1ccc(CSCC(=O)N(Cc2cccs2)CC(F)(F)F)cc1[N+](=O)[O-] 470783945 FQASKSKWMMUQKO-UHFFFAOYSA-N 434.461 4.489 5 20 IIBD CCC(O)(CC)CCNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 471695336 XVHNPDLABCRCOD-UHFFFAOYSA-N 436.512 4.047 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 474970378 NTCMRDSLYNGCOY-HXUWFJFHSA-N 440.297 4.395 5 20 IIBD Cc1ccccc1-c1nc(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)no1 476372404 GEFUDTIQCNCTPM-UHFFFAOYSA-N 446.413 4.248 5 20 IIBD O=C(Nc1n[nH]c(-c2ccc(Br)cc2F)n1)c1c[nH]c2cccc([N+](=O)[O-])c12 477209595 VYOYELCXVVFVET-UHFFFAOYSA-N 445.208 4.015 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)c1ccc(Br)cc1[N+](=O)[O-] 478212670 QWEMUMBRZNZZHQ-UONOGXRCSA-N 427.201 4.245 5 20 IIBD CNC(=O)COc1ccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c(C)c1 478635082 QKYOMHLBOMGKPE-UHFFFAOYSA-N 434.452 4.024 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 479622773 NNKKSZSUOWFQPD-GFCCVEGCSA-N 439.438 4.062 5 20 IIBD Cc1ccc([C@@H](C)N[C@H]2CCS(=O)(=O)c3ccc(Br)cc32)cc1[N+](=O)[O-] 480213941 MVXHNDKTGJMEOC-WBMJQRKESA-N 439.331 4.235 5 20 IIBD CCn1c(SC[C@@H](O)COc2ccc(C)cc2C)nnc1-c1ccc([N+](=O)[O-])cc1 480387038 TYHGLEZFMDFSQX-SFHVURJKSA-N 428.514 4.022 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c1[N+](=O)[O-] 481066807 DMMPIQMRKGCHQB-QGZVFWFLSA-N 442.497 4.178 5 20 IIBD COc1cc(C(=O)N[C@@H]2CCN3CCCC[C@@H]23)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 481308631 LPDIMRFLFQJXSC-SJORKVTESA-N 445.903 4.406 5 20 IIBD COc1cc(CCC(=O)NCc2cccc([N+](=O)[O-])c2C)ccc1OCC(F)(F)F 481467965 UUMWFFDOMSKLGF-UHFFFAOYSA-N 426.391 4.102 5 20 IIBD COC(=O)c1cc(OCC(=O)Nc2c(Cl)cccc2C(F)(F)F)ccc1[N+](=O)[O-] 481939869 CMAULDKVTSTDSX-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD O=C(Nc1cccc(Oc2ccncc2)c1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 482734349 HTPFCBIVXZQKPE-KRWDZBQOSA-N 438.465 4.087 5 20 IIBD CCOC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)OC(C)(C)C)c1C 483384070 STDOWVKZJQASMI-UHFFFAOYSA-N 434.470 4.349 5 20 IIBD Cc1cc(-c2noc([C@@H](C)NCc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)n2)ccc1F 483647943 FKACYDSKOPNAPA-CQSZACIVSA-N 436.447 4.344 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCC(Oc3cc(C)ccc3C)CC2)c(C)c([N+](=O)[O-])c1 486858407 OBFZBRFLESKNDA-UHFFFAOYSA-N 441.484 4.382 5 20 IIBD COc1cc(-c2noc(CN(Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2)cc(OC)c1OC 487360130 FWCXDCYTINTDLK-UHFFFAOYSA-N 442.472 4.081 5 20 IIBD CCCn1c(=O)c2ccccc2n2c(SCc3c(Cl)cccc3[N+](=O)[O-])nnc12 487574833 TUMVOTHPUUFNMC-UHFFFAOYSA-N 429.889 4.308 5 20 IIBD COc1cc(C(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)c([N+](=O)[O-])cc1OC 488194465 ABKIPCGZZGSDJT-UHFFFAOYSA-N 431.351 4.330 5 20 IIBD O=C(NCc1ccc(Oc2cccc(F)c2)nc1)c1cc([N+](=O)[O-])ccc1OC(F)F 488464428 VSEIZLOQRAFWEG-UHFFFAOYSA-N 433.342 4.453 5 20 IIBD COc1ccc(-c2csc(NC(=O)COc3ccc([N+](=O)[O-])c(C)c3)n2)cc1OC 488721303 BZZSWEJSPWJBAO-UHFFFAOYSA-N 429.454 4.061 5 20 IIBD O=C(CC[S@](=O)Cc1cc(F)c(C(F)(F)F)cc1F)Nc1ccccc1[N+](=O)[O-] 488803177 HQEQLRLXCJSHEW-LJAQVGFWSA-N 436.358 4.169 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2ccc(OC)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 489432017 FWXFXNRTUGZSBL-CYBMUJFWSA-N 427.486 4.001 5 20 IIBD CCn1cnnc1-c1cccc(NCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])c1 490540669 IBEFWCWVHDYRAZ-UHFFFAOYSA-N 433.415 4.138 5 20 IIBD Cc1c(C(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)nnn1-c1cccc([N+](=O)[O-])c1 491116821 KLADDMKGVRHLGZ-OAHLLOKOSA-N 428.452 4.037 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NCC2(CCOC)CC2)c([N+](=O)[O-])c1 493771325 YLUNAUZLYVJESJ-UHFFFAOYSA-N 433.530 4.039 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc1[N+](=O)[O-] 493953526 UVJBKFRULYVZLC-OAHLLOKOSA-N 439.468 4.151 5 20 IIBD O=C(Nc1cc(C(F)F)ccc1Cl)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 497202511 ZTUYDXONJPVZDW-UHFFFAOYSA-N 444.847 4.237 5 20 IIBD COc1ccc(Br)cc1CN(C)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 497757231 NKUUJMZPUZWSFJ-UHFFFAOYSA-N 430.258 4.186 5 20 IIBD O=C(c1cn(-c2ccccc2C(F)(F)F)nn1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 498151864 FDFUONQBJDFRKH-SFHVURJKSA-N 449.414 4.082 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(C[S@](=O)Cc3ccc(Oc4ccccc4)nn3)co2)cc1 498385143 NBZPFWOFKNFONC-WJOKGBTCSA-N 436.449 4.281 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOC[C@@H]1c1nc2ccccc2s1 500710569 FKAWJVPEGXOYME-CXAGYDPISA-N 429.523 4.285 5 20 IIBD C[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(N2CCCC2=O)c1 501625503 AKRPMNFDUXMHMH-CQSZACIVSA-N 436.493 4.336 5 20 IIBD COc1ccc([C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)c2ccccc2OC)cc1 502403334 DIAFTFGDQCWNEG-NRFANRHFSA-N 432.436 4.008 5 20 IIBD CCC[C@@H](N[C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1)C(=O)N1CCc2sccc2C1 504905545 KEIVAPZSESTXQV-CRAIPNDOSA-N 431.558 4.459 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1cccc(OCCc2ccccc2)c1 505951343 UOSVMHUKYBXJFP-UHFFFAOYSA-N 431.452 4.414 5 20 IIBD COc1cc(CN(C)CC(=O)Nc2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 509548779 JWAQHFSCDQNFQZ-UHFFFAOYSA-N 435.480 4.253 5 20 IIBD O=C(c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)N1CCCc2ccc([N+](=O)[O-])cc21 509984576 ULDQGFFQQRTANP-UHFFFAOYSA-N 433.464 4.117 5 20 IIBD COc1cc(CN2CCc3c(ncn3-c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OC(F)F 510401659 IWDBECULBGXHMI-UHFFFAOYSA-N 448.401 4.088 5 20 IIBD O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1 511142675 FOXDYOUVHJICSF-UHFFFAOYSA-N 430.392 4.217 5 20 IIBD COc1cc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)ccc1OCc1ccncc1 512179480 CUBQUZVXPXGUAO-HNNXBMFYSA-N 437.452 4.077 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1 518559223 SUWRHPGAPDNTBF-UHFFFAOYSA-N 431.876 4.282 5 20 IIBD Cc1c(C(=O)N(CCc2ccccc2)c2ccccc2)nnn1-c1cccc([N+](=O)[O-])c1 519082838 KWBLSQMFVPFGLV-UHFFFAOYSA-N 427.464 4.373 5 20 IIBD C[C@@H](c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCOCC1 522236636 VUHDIACQUARDCG-LSDHHAIUSA-N 433.892 4.047 5 20 IIBD NC(=O)[C@@H](NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)c1ccccc1 522754851 PHVSTNSCAIPIQH-FQEVSTJZSA-N 429.835 4.496 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(C3CCCCCC3)[nH]n2)ccc1[N+](=O)[O-] 522928680 QHNBTPFDAXRIBY-FQEVSTJZSA-N 439.516 4.307 5 20 IIBD CCO[C@H]1C[C@H](Nc2ccc(C(=O)c3ccccc3C(=O)OC)cc2[N+](=O)[O-])C12CCC2 525642385 OCUBWNPNLDQMDV-SFTDATJTSA-N 438.480 4.372 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2nc(-c3cnn(C)c3)cs2)cc1[N+](=O)[O-])c1ccccn1 525758875 PBFBORPUMODDBG-ZDUSSCGKSA-N 449.496 4.272 5 20 IIBD COc1cc(CNc2ccc(-c3n[nH]c(C)n3)cc2)c([N+](=O)[O-])cc1OCC(F)(F)F 536418190 UGTJLTCSRKOWSS-UHFFFAOYSA-N 437.378 4.250 5 20 IIBD Cn1c([C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c2ccccc2)nc2ccccc21 536482421 PTAORXBHXXWKIN-QFIPXVFZSA-N 425.448 4.482 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCOC[C@H]2c2noc(C(C)C)n2)cc1OC 543430733 UGUSDDWPNCKDRU-YJBOKZPZSA-N 448.520 4.108 5 20 IIBD Cc1cc(-c2noc(CCNC(=O)c3ccc([N+](=O)[O-])cc3)n2)ccc1N1CCC[C@@H](C)C1 545852443 ZNZYYBMGPMGVDT-MRXNPFEDSA-N 449.511 4.162 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(CSC[C@H]3CCCCO3)n2)c(Br)c1 546450136 ADTZZDHCNCRXQA-CYBMUJFWSA-N 428.308 4.133 5 20 IIBD CC(C)(C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1)c1ccc([N+](=O)[O-])cc1F 546536834 FDVBWCSFRBAAPU-UHFFFAOYSA-N 444.854 4.157 5 20 IIBD CN1CCCN(c2ccc(-c3noc(-c4cc5cc([N+](=O)[O-])ccc5s4)n3)cn2)CC1 547065298 LFBKSKWIGUYNMT-UHFFFAOYSA-N 436.497 4.063 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(c2nc([C@H]3CCCC[C@@H]3C)no2)CC1 547102417 MTZXWAGFFOMXTD-KSSFIOAISA-N 448.545 4.148 5 20 IIBD Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F 547241831 YDDWXWWCMBXLQR-UHFFFAOYSA-N 445.516 4.148 5 20 IIBD CCc1ccc(NC(=O)[C@@H](CCSC)NC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 552358398 WRXGMOODYIYSNG-GOSISDBHSA-N 435.933 4.301 5 20 IIBD COc1ccc(Br)cc1C(=O)CCC(=O)N(C)CCc1ccccc1[N+](=O)[O-] 552611758 CEEPQNHAFJXUBG-UHFFFAOYSA-N 449.301 4.030 5 20 IIBD Cc1ccc(-n2ncc(C(=O)N(C)CCc3ccccc3[N+](=O)[O-])c2C(F)(F)F)cc1 552712095 JIGJKPWEPJPCEV-UHFFFAOYSA-N 432.402 4.422 5 20 IIBD COc1ccccc1O[C@H]1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 552730189 YBGAOIAMQDHGTK-KRWDZBQOSA-N 439.493 4.411 5 20 IIBD COc1ccccc1OCc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CC(C)C 555344407 HWTDITWTMGATFG-UHFFFAOYSA-N 425.489 4.066 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)n1 557549307 BZKXOIDYVCYVJF-UHFFFAOYSA-N 443.463 4.300 5 20 IIBD CS(=O)(=O)N(CCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1Cl 564079599 XVPLFOZYMPNBQK-UHFFFAOYSA-N 433.711 4.019 5 20 IIBD Cc1cc(C)n(-c2ccc(Cl)c(-c3nc(CCNc4ccccc4[N+](=O)[O-])no3)n2)n1 564685263 CFOJRALERDHSLP-UHFFFAOYSA-N 439.863 4.150 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1 564759954 DENKGMDLVIPOTJ-ZDUSSCGKSA-N 438.509 4.405 5 20 IIBD Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 565381231 UOVVJHTVEPGRGO-LBPRGKRZSA-N 445.829 4.090 5 20 IIBD COc1cc(C)c(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c(C)c1C 567388415 SHVFIZTUZLEQTM-UHFFFAOYSA-N 429.292 4.092 5 20 IIBD C[C@@H](C(=O)Nc1cccc(NS(=O)(=O)Cc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 568783757 CKUJYCRQMFNATR-MRXNPFEDSA-N 439.493 4.279 5 20 IIBD COc1cc(-c2nc(Cc3c(F)ccc(Br)c3F)no2)ccc1[N+](=O)[O-] 574657387 MJPUGHDUSIMIJZ-UHFFFAOYSA-N 426.173 4.285 5 20 IIBD CC1(C)CCC(c2noc([C@H]3CCCN3S(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)CC1 575026536 ZQUYIWPMXUTBNS-QGZVFWFLSA-N 434.518 4.187 5 20 IIBD C[C@@H](c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(N(C)C(=O)c3ccncc3)cc2)no1 579525649 HSMFQELVPVBXLF-HNNXBMFYSA-N 429.436 4.468 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCNCc2ccc(Oc3ccccc3F)c(F)c2)cc1 580129649 LCFRXLFXQYYVAA-UHFFFAOYSA-N 448.447 4.229 5 20 IIBD C[C@@H](Oc1cccc2ccccc12)c1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 581514660 AFMHHZBPTSAGHR-OAHLLOKOSA-N 432.436 4.130 5 20 IIBD CC(C)C[C@@H](Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 600848821 XFTVBJGTOBFXNT-OAHLLOKOSA-N 431.436 4.460 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cn(-c2ccccc2C(F)(F)F)nn1 603638734 SEFBKDXBDWUPQP-UHFFFAOYSA-N 443.288 4.048 5 20 IIBD COc1cc(CCNC(=O)N(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)c([N+](=O)[O-])cc1OC 603801967 IPXAIVAPWREBJX-KDOFPFPSSA-N 443.500 4.245 5 20 IIBD CC(C)NC(=O)c1ccc(N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 604270610 CBUKVIAUTUHYPU-RYUDHWBXSA-N 427.345 4.300 5 20 IIBD COc1ccc(C(=O)N2CCc3[nH]c4c(Br)cccc4c3C2)cc1[N+](=O)[O-] 604334043 NIKLDQLLAUJDOK-UHFFFAOYSA-N 430.258 4.046 5 20 IIBD Cc1ccc(-c2csc3ncn(CCC(=O)NCc4cccc([N+](=O)[O-])c4)c(=O)c23)cc1 604470499 DJMDOGPNDKUMRS-UHFFFAOYSA-N 448.504 4.048 5 20 IIBD COC(=O)c1cc(C(=O)N[C@H](C)c2sc(-c3ccc(F)cc3)nc2C)cc([N+](=O)[O-])c1 609186453 QNFJLDNJPFTVME-LLVKDONJSA-N 443.456 4.443 5 20 IIBD CC(C)(C)c1csc(CNC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 609199885 UHXDUVXGDJBBPJ-UHFFFAOYSA-N 445.467 4.279 5 20 IIBD Cc1cc(S(=O)(=O)Nc2cccc(C[S@](=O)Cc3ccccc3)c2)ccc1[N+](=O)[O-] 609705746 FPNIZFOFJZVKCS-GDLZYMKVSA-N 444.534 4.153 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3cnn(CC(F)F)c3)cc2[N+](=O)[O-])n1 609737487 WCLVOLFNLAVDNR-UHFFFAOYSA-N 425.442 4.225 5 20 IIBD CCOC(=O)c1ccnc(Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)c1[N+](=O)[O-] 609964194 WWQPKWSSQLIJKR-UHFFFAOYSA-N 447.513 4.158 5 20 IIBD COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C 610031060 RDJUDUYHHKUVDR-GOSISDBHSA-N 433.892 4.407 5 20 IIBD COc1ccc(Br)cc1C(=O)Nc1cc(C)nn1-c1ccc([N+](=O)[O-])cc1 610170625 SJCMCICMLPRMPD-UHFFFAOYSA-N 431.246 4.112 5 20 IIBD COc1ccc([C@@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])c2ccccc2Cl)c(C)c1 610269400 YDFOXTSMWWUCCS-LJQANCHMSA-N 447.900 4.028 5 20 IIBD COc1cc(CN[C@]2(CO)CCc3ccccc32)ccc1OCc1ccc([N+](=O)[O-])cc1 610916082 QRNWFWDFZRSYMS-VWLOTQADSA-N 434.492 4.106 5 20 IIBD C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 611143916 IOXLBPHHSXNIKL-HNNXBMFYSA-N 449.536 4.134 5 20 IIBD O=C(Nc1cccc(N2CCNC2=O)c1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611200927 KQWQWGQHBHICHQ-UHFFFAOYSA-N 426.498 4.411 5 20 IIBD O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611205919 PZBMCTPJZWLTPC-GOSISDBHSA-N 443.500 4.304 5 20 IIBD CN(C)CCOc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)ccn1 611218340 YZIDHGDBZUSBQI-UHFFFAOYSA-N 430.530 4.217 5 20 IIBD O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1c([N+](=O)[O-])cccc1C(F)(F)F 612540285 IHGMELBHGQYNRJ-UHFFFAOYSA-N 428.779 4.460 5 20 IIBD Cn1c(SCC(=O)NC2(c3ccccc3)CCC2)nc2cc3ccccc3cc2c1=O 613972912 LBCBTUYMCNZHAS-UHFFFAOYSA-N 429.545 4.374 5 20 IIBD O=C(Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])c1ccc(Cn2cncn2)cc1 615040782 HNGCZIIWLGJATD-UHFFFAOYSA-N 429.436 4.066 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Oc1ccc(Cl)cc1Br 725818116 GKAHYSCNELLONQ-UHFFFAOYSA-N 427.059 4.432 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cccc(N3CCCCC3)c2)ccc1[N+](=O)[O-] 726502762 KFSOMQDFKHKQTL-JOCHJYFZSA-N 436.512 4.137 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N1CC[C@@H](N2CCCC2)C1 727160181 WYNSLAJODXPKLO-NQIIRXRSSA-N 428.920 4.098 5 20 IIBD Cc1ccccc1-c1nc(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cs1 727559918 AGPRAWCAANPXAH-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@@H]1C[C@@H]1c1cccc(Br)c1 732030840 SYQNTEMAFUAGDO-TZMCWYRMSA-N 447.257 4.322 5 20 IIBD Cc1c(C(=O)NC[C@H](CC(C)C)N[C@@H](C)c2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 732293120 CLTGODQWSJUPBC-WMZOPIPTSA-N 428.489 4.307 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)Nc1cccc(CSc2ccccn2)c1 733403543 NCHJMGHWWJFLEG-UHFFFAOYSA-N 437.477 4.386 5 20 IIBD O=C(N[C@@H](c1ccccc1)C1CCOCC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 734347198 DZMHJBKMHLOLMW-IBGZPJMESA-N 438.402 4.434 5 20 IIBD CN1C(=O)CC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]1c1ccc(C(F)(F)F)cc1 734388955 MEOYVLQYQCAVJP-KSSFIOAISA-N 439.365 4.301 5 20 IIBD CC(=O)N1CCc2ccc(S(=O)(=O)Oc3ccc([N+](=O)[O-])cc3-c3cccs3)cc21 734492610 KKPXANIKPONQTA-UHFFFAOYSA-N 444.490 4.000 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)ccc1[N+](=O)[O-] 734736430 SFZAILPMQYNFIT-FQEVSTJZSA-N 442.518 4.242 5 20 IIBD Cc1cc(F)ccc1N1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Br)C1 735261177 MDAYIHWFZMFAJC-AWEZNQCLSA-N 436.281 4.204 5 20 IIBD C[C@H](OC(=O)[C@@H]1CCCN(Cc2ccccc2)C1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 735938658 MZRIIFAFFFULHT-DOTOQJQBSA-N 445.903 4.031 5 20 IIBD C[C@H](OC(=O)[C@H]1CCCN(Cc2ccccc2)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 735941308 ZCLREJGTDNHPGS-RDJZCZTQSA-N 445.903 4.031 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)Nc1ccccc1Cl 740410728 SUCOHWJAFCIGSX-SECBINFHSA-N 427.638 4.195 5 20 IIBD CN1C(=O)CC[C@H](COC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc(Cl)c1 740599401 STZAXAQQFHGHFH-IFSNBXDPSA-N 428.872 4.414 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 741990835 ODUHDMQXJRLSAJ-HDMKZQKVSA-N 437.562 4.275 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Oc1ccc(OC(F)(F)F)cc1 742345149 JZVAJWAFJVLLSV-UHFFFAOYSA-N 442.165 4.024 5 20 IIBD C[C@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 744403396 ZZVAOHGBMYUAHC-NYHFZMIOSA-N 445.520 4.208 5 20 IIBD CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)OC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 744615499 UYAABNORUPGKJJ-AWEZNQCLSA-N 449.419 4.069 5 20 IIBD COc1cc(C(=O)OCc2ncc(-c3ccc(Br)cc3)o2)ccc1[N+](=O)[O-] 744913161 VHBDGCRPJRMRGN-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD CC(C)N(Cc1ccccc1F)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 746182317 SLDVTTISVYQYDZ-UHFFFAOYSA-N 431.283 4.096 5 20 IIBD O=C(NCCc1nc(-c2ccncc2)cs1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 747129262 ULYJFRBKRGWZCY-UHFFFAOYSA-N 437.525 4.076 5 20 IIBD Cc1ccccc1[C@H](OC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccs1 748503123 MKNSGMKSDOMWFB-FQEVSTJZSA-N 442.518 4.489 5 20 IIBD CCCc1nc(C(=O)OCc2cc([N+](=O)[O-])ccc2OC)nn1-c1ccccc1Cl 748940277 PJUYVMXECQWIBZ-UHFFFAOYSA-N 430.848 4.147 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ccc(Br)cc1[N+](=O)[O-] 749133808 WZUHPYNHTDFGLV-UHFFFAOYSA-N 442.247 4.005 5 20 IIBD Cc1nc(-c2ccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3Cl)cc2)n[nH]1 749420485 VPSJOFLPWDAHOH-UHFFFAOYSA-N 436.653 4.357 5 20 IIBD Cc1ccc(S(=O)(=O)CCCOC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1 751642560 WNYDKBVLYYOBTH-UHFFFAOYSA-N 443.930 4.056 5 20 IIBD C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@H](O)c1c(F)cccc1Cl 752614814 IDEJVHXDLGPJLH-XYZCENFISA-N 433.288 4.371 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)cc1[N+](=O)[O-] 753643362 FIGXNEVNDJBPJR-BBRMVZONSA-N 439.331 4.456 5 20 IIBD COc1cc(C)cnc1C(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 753912462 DTYUXKSKIGFOPM-UHFFFAOYSA-N 441.827 4.432 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(c2ncnc3cccc([N+](=O)[O-])c23)CC1 754024715 IUFXTEAMFCJUJS-QGZVFWFLSA-N 427.505 4.154 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCS[C@H](c2ccccc2)C1 755012699 MVWNPZCRIJFFEF-HNNXBMFYSA-N 425.279 4.427 5 20 IIBD O=C(Nc1cc(CCc2ccccc2)[nH]n1)c1cc(F)cc([N+](=O)[O-])c1Br 755013021 NGOZOJRPCZSRCJ-UHFFFAOYSA-N 433.237 4.257 5 20 IIBD O=[N+]([O-])c1cccc(N(C2CCCC2)S(=O)(=O)c2c(Cl)nc3sccn23)c1 755108416 UZNHWKZKBSEDFH-UHFFFAOYSA-N 426.907 4.095 5 20 IIBD CC[C@@H](NC(=O)COC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(Cl)cc1 758729891 DHJNHFWDSFSTGE-GOSISDBHSA-N 429.860 4.083 5 20 IIBD Cc1sc(NC(=O)C2(CNC(=O)OC(C)(C)C)CC2)nc1-c1cccc([N+](=O)[O-])c1 758974929 UFFVNRSCOYXMJC-UHFFFAOYSA-N 432.502 4.270 5 20 IIBD CC1(CCNC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)OCCO1 759265714 JWYDCUHFFULJMW-UHFFFAOYSA-N 445.522 4.239 5 20 IIBD C[C@@](O)(C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(C(F)(F)F)c1 760522583 PVHKIZIKBUCTNO-IBGZPJMESA-N 436.342 4.220 5 20 IIBD CCN([C@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 765167530 MGDODSFUINCYMJ-LLVKDONJSA-N 431.283 4.268 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)Nc1cccc(C(F)(F)F)c1 766221863 DOMZBJOUPVFWND-LLVKDONJSA-N 433.342 4.346 5 20 IIBD Cc1c(C(=O)O[C@H](Cc2ccccc2)c2cccnc2)nnn1-c1cccc([N+](=O)[O-])c1 766504584 LLOQCNYDCFXGOC-OAQYLSRUSA-N 429.436 4.020 5 20 IIBD O=C(NCc1cccc(OC(=O)CCNc2ccccc2[N+](=O)[O-])c1)Nc1ccccc1 774489059 ARUVVCZCOXMVKY-UHFFFAOYSA-N 434.452 4.324 5 20 IIBD CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1nc(-c2ccccc2[N+](=O)[O-])cs1 775496066 PXSDLWMXBAXNQQ-UHFFFAOYSA-N 437.437 4.244 5 20 IIBD CCC(CC)n1nc(C)cc1C(=O)OC1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 776090632 OMLOVZJEGZZVDT-UHFFFAOYSA-N 430.505 4.295 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Oc2cccc(OC(F)(F)F)c2)ccc1[N+](=O)[O-] 778069292 HEQCXVKUAIHPFI-QGZVFWFLSA-N 438.358 4.012 5 20 IIBD O=C(Nc1ccccc1)c1ccc(OC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1 779325329 NNWHWJUPSPHHDK-UHFFFAOYSA-N 428.404 4.252 5 20 IIBD CCN(Cc1ccccc1Br)C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781604956 XELMYFWJFWVPGC-UHFFFAOYSA-N 436.262 4.247 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCc1cccnc1Oc1cccc(F)c1 781615091 RECJBFIEEMUMBU-UHFFFAOYSA-N 440.387 4.078 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCSC[C@@H]1c1ccc(Cl)cc1 781644894 WXTVAQKSWTUOMR-GOSISDBHSA-N 435.889 4.406 5 20 IIBD O=C(c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1C[C@H]2C[C@]2(CO)C1 783792023 QNTVWAWCRCDQIU-BFUOFWGJSA-N 438.427 4.219 5 20 IIBD COc1cc(N[C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c([N+](=O)[O-])cc1OC 784316622 ZEIATSZLHAAYTA-HNNXBMFYSA-N 428.489 4.041 5 20 IIBD Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 787272331 SKIMYTCLHZBUME-UHFFFAOYSA-N 428.807 4.474 5 20 IIBD COc1cc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])cc(OC)c1Br 790558922 KINSCHMSZKREPO-UHFFFAOYSA-N 447.644 4.348 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OCc2nnc3ccccc3n2)cc1 798517443 DCQHJWVJAQPVAN-UHFFFAOYSA-N 432.392 4.091 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 801588731 UWVUOWTUWOWWGU-UHFFFAOYSA-N 447.856 4.210 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 803407956 SWWBXRWIVXDXAR-QHCPKHFHSA-N 430.460 4.364 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 807687951 DYXKTAFRQOSDCA-IKGGRYGDSA-N 431.286 4.002 5 20 IIBD Cn1ncc(COC(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)n1 811063478 JUBDBLJIFHWAIX-XNTDXEJSSA-N 435.465 4.007 5 20 IIBD CC(=O)N(CCC(=O)OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])Cc1ccccc1 811084003 TYBOOZRURHRLDE-UHFFFAOYSA-N 425.268 4.384 5 20 IIBD COc1ccc2c(c1)C[C@@H](C(=O)OCc1csc(-c3cccc([N+](=O)[O-])c3)n1)CO2 811217718 YCZJCMQHXVWCGN-OAHLLOKOSA-N 426.450 4.021 5 20 IIBD CCSc1cccc(Br)c1NS(=O)(=O)c1cc(F)ccc1[N+](=O)[O-] 811722354 HKCAKGWYNRHUNQ-UHFFFAOYSA-N 435.296 4.409 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1cc(C2CC2)[nH]n1 913344987 IKCXAQDUZZRQCQ-LJQANCHMSA-N 440.843 4.386 5 20 IIBD C[C@@H](c1ccccc1Cl)N(C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)C1CC1 914480167 NBAOZXLTWCMIBC-HNNXBMFYSA-N 429.904 4.451 5 20 IIBD C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)[C@H](C)CO1 918587919 LCINDOQREUYVSA-RTBURBONSA-N 437.540 4.303 5 20 IIBD CC(C)(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(F)cc1 918632293 CYHNKUUIICOBOS-FQEVSTJZSA-N 429.492 4.478 5 20 IIBD COc1cccc2cc(CNC(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)oc12 1116172616 IRYBFBAQUGJHCW-UHFFFAOYSA-N 425.441 4.103 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CCC(c2nc3ccccc3o2)CC1 1116314694 RQJUHELIQKQNPY-UHFFFAOYSA-N 432.436 4.069 5 20 IIBD CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(-c2nnc(-c3cccc([N+](=O)[O-])c3)o2)c1 1257706802 WNOXZYIXKDWPDZ-UHFFFAOYSA-N 436.877 4.042 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCO[C@@H](c2ccc(Cl)s2)C1 1319382478 NCZPKSCFLUTLRV-GFCCVEGCSA-N 431.695 4.286 5 20 IIBD C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1N)c1ccccc1OC(F)F 1321439603 NMPQXPIJMJRZOB-MRVPVSSYSA-N 430.205 4.032 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccc3cncn3c2C)c2ccccc2)c([N+](=O)[O-])c1 1325422316 KEDVCPGTUPJUSC-QFIPXVFZSA-N 444.447 4.396 5 20 IIBD COc1cc(CC(=O)NC2(c3ccc(NC(=O)C4CCC4)cc3)CCC2)ccc1[N+](=O)[O-] 1787606521 QTRIYSDDKCEMQJ-UHFFFAOYSA-N 437.496 4.080 5 20 IIBD O=C(CCC1CCCC1)Nc1ccc(C2(NC(=O)c3n[nH]cc3[N+](=O)[O-])CCC2)cc1 1787618518 NVZVWKBZOOETKT-UHFFFAOYSA-N 425.489 4.036 5 20 IIBD Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccc([N+](=O)[O-])o4)CCC3)cc2)o1 1791944570 XRVBMFDBDSSGAB-PKNBQFBNSA-N 449.463 4.479 5 20 IIBD Cc1cccc(Cl)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(F)c1[N+](=O)[O-])C2 1800491882 VEMLZMRDXYMHDT-QDMKHBRRSA-N 445.878 4.261 5 20 IIBD Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H]2CCC[C@H]2C)C3)cc(Cl)cc1[N+](=O)[O-] 1800712303 ZINLFTIQHPBBIR-CUWKQTPXSA-N 433.936 4.245 5 20 IIBD CC(C)C1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)[nH]n2)CCC1 1823063604 VJKMEWNMPYNQBL-HNNXBMFYSA-N 429.477 4.043 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC([C@@H]2CCCCN2C(=O)C2=CCCC2)CC1 1826277763 AXSXNUTUJMHRBX-NRFANRHFSA-N 429.492 4.078 5 20 IIBD Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)c(C)c1 1829834907 VZIASBLIVWXFRF-NRFANRHFSA-N 438.528 4.087 5 20 IIBD O=C([C@@H]1C[C@@H]1C1CC1)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830493176 USDCYEAJYLUBCT-KCZVDYSFSA-N 443.519 4.013 5 20 IIBD O=C(C1CC1)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 1831062486 VSEKWBAZJZMBIE-IBGZPJMESA-N 441.553 4.453 5 20 IIBD Cc1cc(CCCC(=O)N2CCCC23CN(C(=O)CC(C)(C)C)C3)c([N+](=O)[O-])cc1F 1841506429 OVKSLFHFGPUPBM-UHFFFAOYSA-N 433.524 4.005 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)Cc1c(Cl)cccc1Cl 3488611 FOQQBSIUCFYNDF-JTQLQIEISA-N 427.240 4.023 5 20 IIBD O=C(COC(=O)COc1ccc(Cl)cc1Cl)Nc1cc([N+](=O)[O-])ccc1Cl 11025096 QMGVLVBYHXSOMN-UHFFFAOYSA-N 433.631 4.116 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CCc1ncc(-c2ccccc2Cl)o1 12252786 GIYLTZRYPOHELN-UHFFFAOYSA-N 443.843 4.326 5 20 IIBD O=C(CSc1ncnc2sc3c(c12)CCCC3)N1CCc2cc([N+](=O)[O-])ccc21 16766664 KZXWYRDNPSDKSV-UHFFFAOYSA-N 426.523 4.160 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)ccc1[N+](=O)[O-] 21346052 MFFIVEOAKFAJTG-JTQLQIEISA-N 441.318 4.014 5 20 IIBD COc1ccccc1[C@@H](C)NC(=O)CSc1nc2cc3ccccc3cc2c(=O)n1C 22254726 CKFCPOLLUXYAIZ-OAHLLOKOSA-N 433.533 4.065 5 20 IIBD CN(Cc1ccc2c(c1)OCO2)C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 22666571 RWIRFYRUKPIALE-UHFFFAOYSA-N 428.388 4.093 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)ccc2SC)cc1OC 64848414 AEWMVCRQOGPGPS-UHFFFAOYSA-N 426.878 4.256 5 20 IIBD COc1ccc(CSCC(=O)N(Cc2cccs2)C[C@H]2CCCO2)cc1[N+](=O)[O-] 105976558 NNTWGSGLLUHIKO-MRXNPFEDSA-N 436.555 4.106 5 20 IIBD O=C(Nc1cnc2ccccc2c1)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 109114091 OHQNOKLJGOYTJP-UHFFFAOYSA-N 448.460 4.196 5 20 IIBD CCOCCCNC(=O)c1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 117306741 FSAOTXVNPQIZQQ-UHFFFAOYSA-N 427.482 4.218 5 20 IIBD Cc1ccc(-c2csc(NC(=O)c3nnn(-c4cccc([N+](=O)[O-])c4)c3C)n2)s1 218225504 UOPOVVXAJRKZAD-UHFFFAOYSA-N 426.483 4.230 5 20 IIBD COc1cc(F)c([C@H](C)NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1OC 303615265 ZRUFKAMGLAYJNW-HNNXBMFYSA-N 434.467 4.188 5 20 IIBD O=C(c1cn(-c2ccccc2Cl)nn1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 409801332 YTFDNOVDMRDMNU-UHFFFAOYSA-N 439.781 4.034 5 20 IIBD O=[N+]([O-])c1ccn(Cc2nc(C3(c4ccc(Br)c(Cl)c4)CCC3)no2)n1 426634522 NDUMAUKXVWLJMB-UHFFFAOYSA-N 438.669 4.109 5 20 IIBD CC(C)c1[nH]nc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)c1[N+](=O)[O-] 433856795 BKQWSSMJUYMIHS-UHFFFAOYSA-N 430.468 4.224 5 20 IIBD O=C(NC[C@H](c1ccco1)N1CCCC1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 435828723 WUDBWMCURDEQHN-LJQANCHMSA-N 437.446 4.119 5 20 IIBD O=C(NCc1ccccn1)c1cccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 437293957 PTWKRNWRADBGKR-UHFFFAOYSA-N 444.369 4.191 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 437300917 FHABDYRNPNHAKK-KRWDZBQOSA-N 442.541 4.402 5 20 IIBD Cc1c(Br)cccc1NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 438652287 ARSBNDGUEIWJEC-UHFFFAOYSA-N 434.290 4.041 5 20 IIBD C[C@](O)(CNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C1CC1 440558133 JHJQJWVBJUPGSN-RUCLTWSYSA-N 437.521 4.412 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N(CCc1ccc(F)cc1)C1CCCC1 441973658 GMALNHRPYUROHY-UHFFFAOYSA-N 433.867 4.340 5 20 IIBD COc1ccc(C(=O)CC(C)(C)CC(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)cc1 444688991 LUDFSMFVWXVFDO-UHFFFAOYSA-N 437.456 4.016 5 20 IIBD CC(C)[C@@H](CC1CCCC1)c1nc(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)no1 445487406 FLOPFCDNFRSYHY-OAHLLOKOSA-N 444.488 4.250 5 20 IIBD CC[C@H](NC(=O)Cc1noc(-c2cc(Br)cc([N+](=O)[O-])c2)n1)c1ccccc1 445721774 GXPMLGRBDAXEJP-INIZCTEOSA-N 445.273 4.217 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCSc3ccc(F)cc32)c(C(F)(F)F)c1 446947473 GEOKKHRSNCPTEF-ZDUSSCGKSA-N 436.408 4.268 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1ccc(O[C@@H]2CCOC2)cc1 448135325 SQYYCXMJPBNETN-HXUWFJFHSA-N 432.432 4.246 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 462692935 PMIXYAAZURVUKS-BBRMVZONSA-N 431.297 4.100 5 20 IIBD CNc1c(C(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)c(C)s2)cccc1[N+](=O)[O-] 462992335 LJCFVUGCNCZHRC-UHFFFAOYSA-N 445.526 4.018 5 20 IIBD CCCc1c(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cnn1-c1cc(C)ccn1 466922695 CHECHJICSQHTSV-UHFFFAOYSA-N 428.880 4.412 5 20 IIBD CCOc1ccc(Oc2cc(CNS(=O)(=O)c3cc([N+](=O)[O-])c(C)s3)ccn2)cc1 467403311 HODOQAQYVQWILA-UHFFFAOYSA-N 449.510 4.029 5 20 IIBD CC[C@H](Cc1ccccc1Br)NC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 470154537 IEBGBVIVJBQVKL-CQSZACIVSA-N 437.290 4.126 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2cccc3cnccc23)C[C@H]1C 470411044 HFUVPVGHPKKJQT-QUCCMNQESA-N 432.524 4.449 5 20 IIBD COc1ccc(CNC(=O)NCc2nc(C)c(-c3ccc(Cl)cc3)o2)cc1[N+](=O)[O-] 473671764 WVXIMPONGFEJTA-UHFFFAOYSA-N 430.848 4.220 5 20 IIBD O=[N+]([O-])c1cc(CN[C@H](CO)c2ccc(Br)cc2C(F)(F)F)cs1 475624364 JQCAUZYGFVYBOR-GFCCVEGCSA-N 425.226 4.261 5 20 IIBD COC(=O)c1cnc(N(C)Cc2cn(-c3ccccc3)nc2-c2cccs2)c([N+](=O)[O-])c1 478250289 CCOAZQRGVHGVAC-UHFFFAOYSA-N 449.492 4.327 5 20 IIBD CCOc1cc(OCc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)ccc1[N+](=O)[O-] 478729881 GWIKHNQPGADHJA-UHFFFAOYSA-N 434.495 4.100 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCN(C2CC2)c2ccc(F)cc21 479857411 CLXOWCMRGPGXDN-UHFFFAOYSA-N 427.479 4.309 5 20 IIBD CCOc1cc(N2CCN(Cc3nc(-c4cccc(Cl)c4)no3)CC2)ccc1[N+](=O)[O-] 482901985 WXAHXMVQKNZQMU-UHFFFAOYSA-N 443.891 4.019 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2ccnc(OCc3ccccc3)c2)cc1SC 484639109 NHOIYAHVJWTDGE-UHFFFAOYSA-N 439.493 4.229 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2c(F)ccc(C)c2Br)cc1OC 484692299 WBWJXKHUUFLOGG-UHFFFAOYSA-N 427.226 4.464 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(F)cc2Br)cc1[N+](=O)[O-] 488097408 UICQRRRRZJZQLF-VXGBXAGGSA-N 425.254 4.450 5 20 IIBD CNC(=O)c1cccc(CCNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 488231689 NUGZGAYLVLFMQS-UHFFFAOYSA-N 435.505 4.078 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NCc1csc2ccccc12 488645795 NCMQUGMBMILOQH-UHFFFAOYSA-N 427.301 4.051 5 20 IIBD O=[N+]([O-])c1ccn(C2CCN(Cc3ncc(-c4ccc(Br)cc4)o3)CC2)n1 488738585 VMGVOUBYZHWFCV-UHFFFAOYSA-N 432.278 4.046 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)NCC2(N[C@@H](C)c3ccccc3)CCOCC2)cc1[N+](=O)[O-] 489567482 WZYYFBRGNJSTKD-MOPGFXCFSA-N 440.544 4.163 5 20 IIBD O=C(CSc1ncnc2c1cnn2-c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 489788463 HMFRIAZIEMRJFV-UHFFFAOYSA-N 425.857 4.352 5 20 IIBD COc1cc(CNc2cc(-c3n[nH]c(C)n3)ccc2C)c([N+](=O)[O-])cc1OCC(F)F 490587529 JAURCFQPTANTPC-UHFFFAOYSA-N 433.415 4.261 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(=O)N(C)c2ccccc2)C1 493905037 QYWNDQWJEPMLID-INIZCTEOSA-N 427.526 4.220 5 20 IIBD Cc1nc([C@@H](C)NC(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)n[nH]1 497591820 GPKDLYZRNFWBHM-SNVBAGLBSA-N 448.842 4.167 5 20 IIBD O=C(COc1ccccc1OCC(F)(F)F)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 498141192 WCMOWUFTAUHRIK-SFHVURJKSA-N 442.415 4.189 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCOC[C@@H]1c1noc(-c2ccccc2)n1 501929359 XBTRJPYOLMJPLM-MRXNPFEDSA-N 436.449 4.073 5 20 IIBD O=C1c2cccc3cccc(c23)C(=O)N1CCCc1nc(-c2cccc([N+](=O)[O-])c2)no1 505035445 KFOBEJULUZBHOQ-UHFFFAOYSA-N 428.404 4.027 5 20 IIBD CCOc1cc(C(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)c([N+](=O)[O-])cc1OC 505439411 GTVLZXGUBFGWGE-INIZCTEOSA-N 434.317 4.314 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(C(=O)Nc2ccccn2)c1 505811946 KRVJKKXYVIDMAX-ZDUSSCGKSA-N 440.843 4.302 5 20 IIBD O=C(NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 507308844 HTTJGTPUBJBXIZ-ICSRJNTNSA-N 440.393 4.256 5 20 IIBD CC[C@@H](C)n1ncc2c(C(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCCO4)cc(C)nc21 508783844 JTRJVNRFOMLBER-CYBMUJFWSA-N 425.445 4.033 5 20 IIBD COc1ccc(NC(C)=O)c(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 509856622 XTRIHOHLIHOCDW-UHFFFAOYSA-N 440.378 4.021 5 20 IIBD COc1cc(C(=O)N(C)Cc2ccccc2C)c([N+](=O)[O-])cc1OCc1cscn1 509872183 SUIAYXPBGRBYIK-UHFFFAOYSA-N 427.482 4.220 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(-c2cc(O)n[nH]2)cc1 510075725 ZRAMBXBKIWKQLK-UHFFFAOYSA-N 435.362 4.150 5 20 IIBD CCOc1cc(NC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OC 510567533 BOFVOCQAPPUINS-UHFFFAOYSA-N 442.394 4.255 5 20 IIBD CC(C)c1ccc(CNc2cccc(S(=O)(=O)NCc3ccco3)c2)cc1[N+](=O)[O-] 512365507 ZUEQGOGMKLWWQM-UHFFFAOYSA-N 429.498 4.402 5 20 IIBD O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1F)c1ccc([N+](=O)[O-])cc1 513758164 XQTBKEHUESZSIG-UHFFFAOYSA-N 435.436 4.408 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 515479736 IHERGRBMKFUKJV-UHFFFAOYSA-N 430.386 4.124 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCC[C@H]1c1cccc(F)c1 515502670 HAXPRUBRYVEVIL-IBGZPJMESA-N 433.505 4.250 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccccc1SCC(=O)N1CCc2ccccc21 516132079 OWCIMEAVRYGNEA-UHFFFAOYSA-N 447.516 4.206 5 20 IIBD COc1ccccc1CC(C)(C)NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 519132008 BGVHAQWJSDFZQN-UHFFFAOYSA-N 436.512 4.216 5 20 IIBD O=C(Nc1cc(F)ccc1Oc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 519836016 ALXIMLIIQJCQCM-UHFFFAOYSA-N 437.431 4.275 5 20 IIBD NC(=O)[C@H](NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)c1ccccc1 522754852 PHVSTNSCAIPIQH-HXUWFJFHSA-N 429.835 4.496 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)NCC1(O)CCCC1 522768283 RRBVMJRBWHTFGI-UHFFFAOYSA-N 437.855 4.284 5 20 IIBD Cc1cc(Br)cc2c1N(C(=O)c1cc([N+](=O)[O-])cc3c1OCCO3)CCC2 524459532 JKUAQOYZUZGGMX-UHFFFAOYSA-N 433.258 4.030 5 20 IIBD COC(=O)[C@H](NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)C1CCCCC1 531516668 RQAKVDVAFXHUCY-QVKFZJNVSA-N 440.500 4.015 5 20 IIBD O=C(c1ccc(Cl)cc1)C1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 532486878 YNVPALBPUUITQG-UHFFFAOYSA-N 443.887 4.141 5 20 IIBD Cc1cc(OC(C)C)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 532612299 KPKXAQKLGOWZGD-UHFFFAOYSA-N 429.292 4.254 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2ccccc2)C[C@H]1C 534215550 YOIBXYMJDBSEEF-WBVHZDCISA-N 428.510 4.268 5 20 IIBD COCC1(O)CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CC1 534739098 DIJGVPXVTKUJCL-UHFFFAOYSA-N 436.917 4.013 5 20 IIBD CCCOc1cc(NC(=O)c2c(C)nc3ccnn3c2C)c([N+](=O)[O-])cc1OCCC 536298710 BPAJHYNRKKQXHT-UHFFFAOYSA-N 427.461 4.084 5 20 IIBD COc1ccc(-c2ccc(CN3CCC(OC[C@H]4CCCCO4)CC3)o2)c([N+](=O)[O-])c1 536664705 GKKLIVOWFXMKPB-HXUWFJFHSA-N 430.501 4.414 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1 538192066 YVNPBWSREUECKN-FQEVSTJZSA-N 447.532 4.038 5 20 IIBD Cc1ccc(-n2nc(C)c(NC(=O)Cn3ncc4cc([N+](=O)[O-])cc(Cl)c43)c2C)cc1 539272072 FKABJLCVOAJKRL-UHFFFAOYSA-N 438.875 4.348 5 20 IIBD CCCc1c(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cnn1-c1ccccc1 541430913 ORNAAOPPRAHBAK-UHFFFAOYSA-N 434.496 4.417 5 20 IIBD COc1ccc(NC(=O)c2cn(C3CC3)c3cc(Cl)c(F)cc3c2=O)cc1[N+](=O)[O-] 543004816 FBZDIXWTSNVYPJ-UHFFFAOYSA-N 431.807 4.298 5 20 IIBD CC(C)(C)C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 543536815 BBAUWIOAZIUBIQ-UHFFFAOYSA-N 433.574 4.208 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1SC 543902598 GDNIUFJTSUMQCL-LLVKDONJSA-N 444.435 4.018 5 20 IIBD COCCN(C(=O)c1ccc2c(c1)N(C)CC2)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 544358183 CEDUCTLCWIOOLS-UHFFFAOYSA-N 438.509 4.004 5 20 IIBD O=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 554798527 DVVYGQCNTNYZTO-QGZVFWFLSA-N 438.465 4.087 5 20 IIBD C[C@@H](Oc1ccc(F)cc1Br)C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] 557971157 PAKLZSBIRJFNOJ-LLVKDONJSA-N 425.254 4.315 5 20 IIBD O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CCC(c2nnco2)CC1 560508445 FLMISQRXNIZKDD-UHFFFAOYSA-N 441.875 4.263 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@H]2CCc3sc(Cl)cc32)ccc1[N+](=O)[O-] 565512683 HKWWJPOGXJDPMT-GOEBONIOSA-N 433.917 4.026 5 20 IIBD Cc1ccoc1CN(C)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 570700455 ISLOEPXQYRAYFS-UHFFFAOYSA-N 425.407 4.390 5 20 IIBD CC(C)(c1ccc(Cl)cc1)c1noc(CSc2ccc(C(N)=O)cc2[N+](=O)[O-])n1 576854070 SPHMTOOXXPRKQM-UHFFFAOYSA-N 432.889 4.348 5 20 IIBD C[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(Oc2cccnc2)cc1 578393685 MDZSKLFVVPTITH-MRXNPFEDSA-N 429.436 4.459 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 603642826 REURHIAXYCVQQE-UHFFFAOYSA-N 437.283 4.200 5 20 IIBD COc1ccc(OCC(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)c([N+](=O)[O-])c1 603902287 CVHGGIXDKBUVHI-HXUWFJFHSA-N 445.475 4.412 5 20 IIBD O=[N+]([O-])c1cc(I)ccc1NCc1cccc(Cn2cccn2)c1 603944483 RCAJDIDABNERJS-UHFFFAOYSA-N 434.237 4.056 5 20 IIBD C[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(OCc2ccccn2)c1 603982638 MZSYYWZFHCROKN-QGZVFWFLSA-N 443.463 4.246 5 20 IIBD C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 603993134 OMPFNQWGHDFDAN-QGZVFWFLSA-N 436.512 4.462 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)N1c2ccccc2CC[C@H]1C(=O)Nc1ccc(F)cc1 608872851 RUTSEZUMXRCFRW-NRFANRHFSA-N 449.438 4.343 5 20 IIBD COC(=O)c1cc(C(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)cc([N+](=O)[O-])c1 609726943 LPFAMDOALVNUMY-WJOKGBTCSA-N 444.509 4.215 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC(CCc2ccc(C)cc2)CC1 609841713 JFMYXDSIIXDUFI-HXUWFJFHSA-N 427.549 4.007 5 20 IIBD CC(=O)Nc1cc(S(=O)(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)ccc1F 609911170 NNHHCPZLLJUIJI-UHFFFAOYSA-N 445.428 4.285 5 20 IIBD COC(=O)c1cc(C(=O)N2CCC[C@H](Cc3cc(Cl)ccc3OC)C2)cc([N+](=O)[O-])c1 610159949 UTCDQPVOHVWOGZ-CQSZACIVSA-N 446.887 4.138 5 20 IIBD CCOc1cccc2cc([C@@H](C)N[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)oc12 610250239 REWATHQLEGGOJK-KGLIPLIRSA-N 427.457 4.426 5 20 IIBD O=C(NC[C@H]1CCN(c2ccc(Cl)cc2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 610879078 QODAAVAQBVAFKW-QGZVFWFLSA-N 428.920 4.449 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CNc2ccn(-c3ncccc3F)n2)cc1OC 611614813 GKMOVEPUBMEZPX-AWEZNQCLSA-N 429.452 4.360 5 20 IIBD CCN(CC)C(=O)COc1ccc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1Cl 617698379 AWWUJISFVRRDCV-AWEZNQCLSA-N 433.892 4.238 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)no1)c1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 725791832 IUZFFKXNEIPDEQ-UHFFFAOYSA-N 438.459 4.350 5 20 IIBD COc1ccc(CC[C@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1OC 726150183 DEMXFUVQHDNCRF-QGZVFWFLSA-N 443.456 4.148 5 20 IIBD CCn1cc(Br)cc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 726819294 UCLAUTKEDJSXEE-SECBINFHSA-N 444.669 4.016 5 20 IIBD O=C(Cc1csc(NC(=O)Cc2cccs2)n1)Nc1ccc([N+](=O)[O-])c(Cl)c1 727710297 NZTGPKPKQQPDMK-UHFFFAOYSA-N 436.902 4.129 5 20 IIBD O=C(Nc1ccccc1)Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 727854883 SNJACHVWDSNWLT-UHFFFAOYSA-N 435.396 4.077 5 20 IIBD COc1cc(C(=O)Nc2cccc(C(=O)OCc3ccccc3)c2)c([N+](=O)[O-])cc1OC 729964806 NZNVEIJPXMFZTP-UHFFFAOYSA-N 436.420 4.221 5 20 IIBD C[C@H](OC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)N(C)Cc1nc2ccccc2s1 730643094 HRTQEVCKBWVBEI-NSHDSACASA-N 433.873 4.062 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])OCc1nc2ccccc2c2ccccc12 731102411 GONIIKAPSGOMLE-UHFFFAOYSA-N 449.850 4.423 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cccc(OC2CCCC2)c1 731264906 UQISRDVPJWRFIG-AWEZNQCLSA-N 428.441 4.109 5 20 IIBD Cc1ccc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c(-c2nc3ccccc3[nH]2)c1 731979127 IAYSWCOHKGWUNV-UHFFFAOYSA-N 426.436 4.435 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2)nc1 733636121 HATPVUYFPMYNSK-UHFFFAOYSA-N 433.468 4.445 5 20 IIBD CCc1ccc(OC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c([N+](=O)[O-])c1 734737108 MCDIRLBIUXZIBI-UHFFFAOYSA-N 435.461 4.201 5 20 IIBD O=C(OCc1cc(Cl)ccn1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 735885824 GYGKIDQMCXCGJX-UHFFFAOYSA-N 427.631 4.493 5 20 IIBD CC(C)n1cc(Br)cc1C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 745461482 ZMOHLSHVGKQRLG-UHFFFAOYSA-N 435.234 4.147 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CN(C)Cc1cc(Cl)ccc1[N+](=O)[O-] 746654217 NYCKCDPKMNDGOJ-UHFFFAOYSA-N 426.698 4.390 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc(OCc3cccnc3)cc2)cccc1[N+](=O)[O-] 746954547 PYLIVQVSEWDLMS-INIZCTEOSA-N 435.436 4.061 5 20 IIBD O=C(CSCc1cccc(Cl)c1)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 749357123 BJZLOHBDTDHYCP-UHFFFAOYSA-N 435.933 4.336 5 20 IIBD COc1cc(CN2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F 749493382 VZKQUQGRWFFFLR-GXTWGEPZSA-N 445.463 4.082 5 20 IIBD COc1ccc(C(=O)Oc2cccc(C(=O)N3CCc4ccccc4C3)c2)cc1[N+](=O)[O-] 751182328 GQPKVTPGXOSROX-UHFFFAOYSA-N 432.432 4.021 5 20 IIBD O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccc2ccc(Cl)cc2n1 752178551 OEVRESQXMQESRG-UHFFFAOYSA-N 426.860 4.265 5 20 IIBD CC(C)Nc1ccc(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cn1 752793336 IFPZTTDBOGQCHB-IBGZPJMESA-N 440.500 4.052 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2C[C@H](CCN3CCCC3=O)c3ccccc32)cc1[N+](=O)[O-] 753042138 WJIDNQKGFULIHH-MJGOQNOKSA-N 436.512 4.290 5 20 IIBD Cc1cccc(OCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1[N+](=O)[O-] 755276690 YNJKUDMYRZUDAZ-QGZVFWFLSA-N 433.464 4.412 5 20 IIBD Cc1ccccc1[C@H](C)NC(=O)[C@H](C)OC(=O)Cc1ccc([N+](=O)[O-])cc1Br 756523943 BOTNKPKOQKSPBB-KBPBESRZSA-N 449.301 4.017 5 20 IIBD Cc1cc(N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 758478895 BSDJEBWBPFJUFQ-WMZOPIPTSA-N 441.532 4.490 5 20 IIBD O=C(Nc1ccccc1)c1ccc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 758674659 AAGRLDKZYGCLJC-UHFFFAOYSA-N 434.404 4.071 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC(c2nc3ccccc3s2)CC1 759102828 VCCOAISPZXWNBZ-UHFFFAOYSA-N 435.502 4.220 5 20 IIBD Cc1nn(C)c(C)c1[C@@H](OC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F 760780360 JIXYPOPZNZMBRI-ZUZCIYMTSA-N 435.786 4.213 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(Cn2nc(C)c3ccc([N+](=O)[O-])cc32)CC1 761291734 JRAXHPULSUVYSE-UHFFFAOYSA-N 441.557 4.289 5 20 IIBD Cc1ccc(-c2noc(Cc3csc(NC(=O)Cc4cccs4)n3)n2)cc1[N+](=O)[O-] 761639190 PVCWDFRKFNAQCM-UHFFFAOYSA-N 441.494 4.243 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1ccc(Br)s1 762280661 HEHNVSVOQGFZAO-UHFFFAOYSA-N 439.740 4.201 5 20 IIBD COc1ccc([C@@H]2NC(=O)N(CC3CC3)C(C)=C2C(=O)Nc2cccc([N+](=O)[O-])c2)s1 763326479 MCAPKLQWJMWTCZ-IBGZPJMESA-N 442.497 4.054 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)O[C@H]2CCc3sc(Cl)cc32)cc1OC 766544099 XYLPPUYINXOGCT-ZDUSSCGKSA-N 427.862 4.188 5 20 IIBD CC(C)(C)OC(=O)NCc1cc(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)ccn1 766606909 SUNHYGIFEWPYNJ-UHFFFAOYSA-N 440.378 4.286 5 20 IIBD COc1cccc([C@@H](O)CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)Cc2ccccc2)c1 766977952 SPLCUIHJQNFFEY-DEOSSOPVSA-N 449.507 4.086 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Oc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 767595009 DOKURWWBBRZNJI-AWEZNQCLSA-N 436.486 4.257 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)c1ccc(OS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 767598489 QWLWALXOGLZRAN-GFCCVEGCSA-N 440.449 4.087 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 771769319 WBCXPMXQRPYQNI-GFCCVEGCSA-N 446.426 4.382 5 20 IIBD C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 772864295 QFMWYLJHHISNCI-ROUUACIJSA-N 449.551 4.011 5 20 IIBD C[C@H]1C[C@@H](C(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)CCC1=O 775466354 BACXGSWRADRKOZ-STQMWFEESA-N 430.844 4.411 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2c(C(F)(F)F)ccnc2Cl)cccc1[N+](=O)[O-] 776469812 ONHATNUOXGABOH-VIFPVBQESA-N 431.754 4.154 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCc2ncc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2C1 777006243 JWZRZZAPZKTYMV-CQSZACIVSA-N 446.891 4.278 5 20 IIBD O=C(NCC1(c2ccc(F)cc2F)CCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 777171616 DGUYCGPLVIOXNX-UHFFFAOYSA-N 437.830 4.093 5 20 IIBD CC(=O)N(c1cccc(Cl)c1)c1nc(COC(=O)c2cc(O)cc([N+](=O)[O-])c2)cs1 780075251 JOHFBSJIKQTAMU-UHFFFAOYSA-N 447.856 4.452 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(Br)c1Cl 780129734 GCTZLEACNZLQSU-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 781348775 DFPFXDGEQCWCTB-AWEZNQCLSA-N 443.953 4.246 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(C(=O)Nc2ccccc2)cc1 781635422 MLVKFCRMNBTGRF-UHFFFAOYSA-N 434.408 4.327 5 20 IIBD O=C1OCCCN1c1ccccc1-c1noc(-c2cc(Br)cc([N+](=O)[O-])c2)n1 784231809 SXLWHWFGXLZBHO-UHFFFAOYSA-N 445.229 4.421 5 20 IIBD C[C@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@@H](C)c1cc2ccccc2o1 785949248 OHKPQCULZDRHFL-STQMWFEESA-N 430.844 4.346 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])cc2F)C[C@@H](C)O1 790540297 WXTOAOYBLRHIME-TXEJJXNPSA-N 439.846 4.321 5 20 IIBD COc1ccccc1SCC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791175357 ZMBMLKNREBEAEI-UHFFFAOYSA-N 437.315 4.043 5 20 IIBD CN(C)c1cc(F)c(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)cc1[N+](=O)[O-] 791204711 MOPKMQWYXIGSMI-UHFFFAOYSA-N 436.415 4.378 5 20 IIBD Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)ccc1OC1CCOCC1 795325644 WAEGEHWOYWJHEU-UHFFFAOYSA-N 444.868 4.054 5 20 IIBD Cc1ccccc1-c1noc(C)c1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 796217042 IISKLMPWAIJDGK-UHFFFAOYSA-N 429.816 4.316 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc(F)c(C(F)(F)F)cc2F)cccc1[N+](=O)[O-] 805593434 YKQUZJYTWPFRNH-SECBINFHSA-N 432.301 4.384 5 20 IIBD C[C@@H](C(=O)OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 811086117 OKMCGWOUKYFPRN-SNVBAGLBSA-N 432.281 4.152 5 20 IIBD O=[N+]([O-])c1cccc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)c1Cl 811831436 KPUBROZNJXSDRX-LLVKDONJSA-N 447.296 4.118 5 20 IIBD CCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1Cl 811832000 KNLKKKABNWXVNT-UHFFFAOYSA-N 435.683 4.210 5 20 IIBD C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](C)c1ccc(N2CCCOC2=O)cc1 815634326 IKMPWSLPDIVZIP-JKSUJKDBSA-N 426.473 4.009 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc(N2CCCNC2=O)cc1 816782314 RQVAPXQLHAYBTB-GFCCVEGCSA-N 436.390 4.024 5 20 IIBD CCOc1cc(NC(=O)NC[C@@H]2CCN(c3ccccc3)C2)c([N+](=O)[O-])cc1OCC 915333673 YNUPVCRURTZLPU-INIZCTEOSA-N 428.489 4.040 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3nc(-c4cccs4)n[nH]3)cc2[N+](=O)[O-])C1 917127814 OBYCKRXEFOCECL-BETUJISGSA-N 426.502 4.176 5 20 IIBD C[C@@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(=O)Nc1cccc(Br)c1 919212060 RGKPVYBAVDFVRM-SNVBAGLBSA-N 433.214 4.288 5 20 IIBD COc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)c([N+](=O)[O-])cc1OCc1cscn1 919985970 YCSYCJKGATWNRM-UHFFFAOYSA-N 444.425 4.108 5 20 IIBD CC(C)(C)c1ccc(N2CCC(NC(=O)CCOc3ccccc3[N+](=O)[O-])CC2)cc1 920212611 CXFITFHIUKBLMD-UHFFFAOYSA-N 425.529 4.446 5 20 IIBD C[C@@H](CC(=O)OC(C)(C)C)NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 1116052141 SYHYMGJOCYVFNF-LSDHHAIUSA-N 428.489 4.013 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN3CCN(Cc4ccc(Cl)cc4)CC3)o2)c(Cl)c1 1117272441 CUVAMUHPIOKAHV-UHFFFAOYSA-N 448.310 4.269 5 20 IIBD CNS(=O)(=O)c1ccc([C@@H](C)NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1 1251724679 NENHVNNKBSWXOQ-CYBMUJFWSA-N 449.916 4.267 5 20 IIBD C[C@H](Oc1ccccc1F)c1nnc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)o1 1257705861 OJHCINVQSYOZFI-WCQYABFASA-N 432.433 4.296 5 20 IIBD CC1=C(C(=O)N(C)C)[C@H](c2cc(Cl)ccc2[N+](=O)[O-])NC(=S)N1c1ccc(C)cc1 1318651381 PPYHROAPQCGYBF-IBGZPJMESA-N 444.944 4.355 5 20 IIBD COc1cc([N+](=O)[O-])ccc1-c1nc([C@@H](NC(=O)OC(C)(C)C)c2ccccc2)no1 1320727542 IQHADYTXDYMGMP-KRWDZBQOSA-N 426.429 4.268 5 20 IIBD CCOC(=O)/C(=C/c1cccc(OCc2cccc(C(=O)O)c2)c1)c1ccc([N+](=O)[O-])cn1 1321106859 PYTJGQOEAALXHX-FYJGNVAPSA-N 448.431 4.371 5 20 IIBD CN(C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Br)C1)C(=O)OC(C)(C)C 1321393292 CQUIYSFISIDMSQ-CYBMUJFWSA-N 428.327 4.046 5 20 IIBD CCc1cccc(C(=O)OC)c1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1322061959 KISLWDIYZOZZSD-UHFFFAOYSA-N 439.390 4.403 5 20 IIBD CCOC(=O)c1csc([C@H]2CCCN2c2ncnc3c(Cl)cc([N+](=O)[O-])cc23)n1 1323544265 SYIXAWPEIGBDRN-CQSZACIVSA-N 433.877 4.166 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(Cn1nc(-c3cccs3)n(C[C@H]3CCCO3)c1=S)C2 1329965069 CVBGLRBSQWLMFP-QGZVFWFLSA-N 443.554 4.203 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3nc[nH]c3[N+](=O)[O-])CCC2)cc1)c1ccc(Cl)s1 1787327717 KCKHDJVKEWBPTK-UHFFFAOYSA-N 445.888 4.094 5 20 IIBD Cc1ccncc1C(=O)Nc1ccc(C2(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)CCC2)cc1 1788822963 YIZSGRCYVASDCI-UHFFFAOYSA-N 446.463 4.065 5 20 IIBD O=C(NC1(c2ccc(NC(=O)C3(C(F)(F)F)CC3)cc2)CCC1)c1ccc([N+](=O)[O-])[nH]1 1789197540 ZPYDSSOPTHHHOJ-UHFFFAOYSA-N 436.390 4.013 5 20 IIBD C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)CCC1)c1ccccc1 1789691671 LVZIISSXTBYREA-INIZCTEOSA-N 447.495 4.259 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)CCC2)cc1)C1=COCCC1 1791639150 CXJQXBKMZKYPKL-UHFFFAOYSA-N 439.443 4.176 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCCC[C@@H]1c1cc(NC(=O)C23CCC(CC2)CC3)n[nH]1 1822956626 FHKDHVOVPHKBKD-RPYGNYITSA-N 441.488 4.187 5 20 IIBD Cc1ccoc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])n[nH]1 1823500762 JGMJNBIOAFEDBN-YXBWYFRISA-N 449.467 4.239 5 20 IIBD Cc1ccc(F)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823609384 WLKDYXUCEZGSRA-IBGZPJMESA-N 443.475 4.182 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2C2CC2)CC1 1824073179 VIERVMVOBARNEA-FSSWDIPSSA-N 443.519 4.013 5 20 IIBD O=C(CC1CCC1)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830615922 APFOJLFHIPFWLA-OAQYLSRUSA-N 431.508 4.157 5 20 IIBD COc1cc(C(=O)OCc2csc(-c3ccccc3OC)n2)c([N+](=O)[O-])cc1OC 9488064 BQHMGMWAQUSMGM-UHFFFAOYSA-N 430.438 4.101 5 20 IIBD CCN(CC)C(=O)c1cccc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c1 14942080 UAEDMAXJQPDIDA-UHFFFAOYSA-N 449.511 4.191 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 26913534 BFFYIZJTDIWYEX-UHFFFAOYSA-N 449.307 4.391 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC[C@H](c2nc3ccccc3s2)C1 32484063 BJTSTSHYQMNAPY-INIZCTEOSA-N 433.493 4.410 5 20 IIBD CCOc1cc(C(=O)NCc2ccccc2CN2CCC(C)CC2)c([N+](=O)[O-])cc1OC 46798267 XIRJXQZDRVZVOL-UHFFFAOYSA-N 441.528 4.164 5 20 IIBD O=C(c1ccccc1)c1ccc(NCc2nnc3ccc(C(F)(F)F)cn23)c([N+](=O)[O-])c1 57680867 YQYBXRDCALVMFQ-UHFFFAOYSA-N 441.369 4.499 5 20 IIBD O=C(Nc1ccnn1Cc1cccc2ccccc12)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 59282321 LRFPOKFOSJOMMY-UHFFFAOYSA-N 438.447 4.431 5 20 IIBD CCc1ccc(-c2nc(CS(=O)(=O)Cc3ccc(OC)c([N+](=O)[O-])c3)cs2)cc1 61805387 PDYSFXGCBSZFRW-UHFFFAOYSA-N 432.523 4.404 5 20 IIBD CCc1cc(N2CCCN(C(=O)CC3CCCC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 64905756 DBZTXZYNZINBEM-UHFFFAOYSA-N 437.544 4.233 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N[C@@H]1CCCOc2ccc(F)cc21 64916440 OTUSQUZRQCVDTG-GOSISDBHSA-N 449.504 4.234 5 20 IIBD CN(CCCCCc1cc(-c2ccccc2)n[nH]1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 108442098 WAMXZJHGXKDRBI-UHFFFAOYSA-N 428.514 4.018 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2c(C)cnn2Cc2cc(F)ccc2F)cc1SC 112532696 NBBQQEQDWIOQMS-UHFFFAOYSA-N 448.451 4.409 5 20 IIBD C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 195708855 UBOADOXJHIFGRP-IYBDPMFKSA-N 435.484 4.375 5 20 IIBD CCS(=O)(=O)C[C@@H](C)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 237006529 MMQDWTYSIYDZKG-GFCCVEGCSA-N 430.885 4.092 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCc3scnc3C)c([N+](=O)[O-])c2)c(C)c1 301174853 GADWTIVRZJGYAK-UHFFFAOYSA-N 432.527 4.389 5 20 IIBD Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303480917 SWMJJQFQVWCJJG-ROUUACIJSA-N 429.542 4.473 5 20 IIBD O=C(Nc1cccc(NC2CCCC2)c1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303703180 OJPHZYZBMUGEBO-KRWDZBQOSA-N 428.514 4.254 5 20 IIBD C[C@H]1CN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@@H](c2ccsc2)O1 426267450 NISFLPXRJKOZGZ-ZBEGNZNMSA-N 429.420 4.347 5 20 IIBD C[C@@H](O)[C@](C)(CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Cc1ccccc1 426276133 HSXDOTGLEJWYBH-VLIAUNLRSA-N 439.434 4.043 5 20 IIBD Cc1cc(OCC(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)ccc1[N+](=O)[O-] 430417649 MBRBKISAGBOKJF-UHFFFAOYSA-N 429.816 4.419 5 20 IIBD COc1cccc(C(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)c1[N+](=O)[O-] 436033213 PFSYBSKRPOGRHS-UHFFFAOYSA-N 430.289 4.386 5 20 IIBD O=C(c1cc(Br)c(O)c(Br)c1)N1CCc2c1cccc2[N+](=O)[O-] 436628352 YUBAAYYFJCBOII-UHFFFAOYSA-N 442.063 4.028 5 20 IIBD COc1ccc(NC(=O)C(=O)N(Cc2ccccc2)Cc2ccccc2C)cc1[N+](=O)[O-] 437462437 VDDXHSWWTIJWGA-UHFFFAOYSA-N 433.464 4.079 5 20 IIBD CC[C@@H](C)[C@](C)(O)CNC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 439500019 AOEVFJVZCHLVRW-JLCFBVMHSA-N 430.526 4.075 5 20 IIBD CC[C@@H](C[C@@H](C)CO)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] 439712078 DNVILUVYSNGFHM-WBVHZDCISA-N 435.546 4.221 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 441078614 IZUCJFDNGQKPCY-LBPRGKRZSA-N 428.436 4.197 5 20 IIBD CC(C)(C)[C@H]1CCc2nc(NC(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)sc2C1 442079251 KZYICZDOWMSOTG-ZDUSSCGKSA-N 432.550 4.268 5 20 IIBD C[C@H](Sc1ccc(Br)cc1)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444643083 JNPAQOMGRNBTKK-JTQLQIEISA-N 435.303 4.031 5 20 IIBD Cc1nc(-c2ccc([C@H](C)NC(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)cc2)cs1 444848035 KQBPQHRVIPTXRI-LBPRGKRZSA-N 436.497 4.463 5 20 IIBD C[C@@H](c1cccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])c1)N1CCOCC1 445195988 WTSDZBZOGDXZEQ-NSHDSACASA-N 440.319 4.064 5 20 IIBD Cc1cc(Cl)cc2cc(-c3noc(CCNC(=O)c4ccc([N+](=O)[O-])cc4)n3)oc12 445830588 XAMGCOIKFVKWBE-UHFFFAOYSA-N 426.816 4.325 5 20 IIBD COc1ccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1OCc1ccncc1 446947727 HKVLHHWYQQBEOS-UHFFFAOYSA-N 434.452 4.168 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCCCc1nnc2n1CCCCC2 447681004 VEGNYPQEMHVXHF-UHFFFAOYSA-N 434.369 4.007 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1 447713579 IOLIQNYHNWKFQQ-UHFFFAOYSA-N 446.500 4.208 5 20 IIBD Cc1cc(-c2noc(CCC(=O)N3CCS[C@@H]3c3ccc([N+](=O)[O-])cc3)n2)ccc1F 460367875 XDYUYMOOZIDOLD-OAQYLSRUSA-N 442.472 4.299 5 20 IIBD CC[C@H](C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccc(F)cc1 460762071 ZXLRCFWMVPOXNI-INIZCTEOSA-N 449.485 4.156 5 20 IIBD O=C(CCCc1ccc(Br)s1)N1CCOc2ccc([N+](=O)[O-])cc2C1 461409796 XXRCTTHLFHVPHM-UHFFFAOYSA-N 425.304 4.163 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 461425431 JAPZPXHOSOLGLY-MOPGFXCFSA-N 425.554 4.301 5 20 IIBD C[C@H](c1ccc(-n2cncn2)cc1)N(C)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 462442365 SPTYKZRQVLWRNB-QGZVFWFLSA-N 430.468 4.347 5 20 IIBD Cn1ncnc1CSc1nc2cc([N+](=O)[O-])ccc2n1-c1cccc(C(F)(F)F)c1 463050319 WTWUMUDIOCDNBL-UHFFFAOYSA-N 434.403 4.373 5 20 IIBD CCc1cc(=NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)OC)c2ccccc2[nH]1 464164365 ZNCHFWAFYFEUTP-UHFFFAOYSA-N 439.493 4.035 5 20 IIBD CCOc1ccc(-c2csc(NC(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)n2)cc1 465131987 UPBUHRCVPOPMON-UHFFFAOYSA-N 441.465 4.069 5 20 IIBD CC[C@@H]1CCCN(C(C)(C)CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 465889998 OFZKSIYREPZPMZ-GOSISDBHSA-N 432.565 4.048 5 20 IIBD CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl 467230789 PQNSWFIZMUFOKB-GOSISDBHSA-N 430.936 4.302 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCc2ccc(CCN(C)C)cc2)cc1[N+](=O)[O-])c1ccccn1 469490242 PXYJRDNQZCAGNN-SFHVURJKSA-N 447.539 4.197 5 20 IIBD COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 470375198 MRFPDAJFEZFNIT-NSHDSACASA-N 431.832 4.168 5 20 IIBD Cc1ccc(CN(CCc2ccccc2)C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)s1 472573119 ZVBJQCRANOIKDG-UHFFFAOYSA-N 441.484 4.314 5 20 IIBD Cc1cc(-c2noc([C@@H](C)NC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)n2)ccc1F 474506698 BEQMALYHSYECEF-CYBMUJFWSA-N 427.436 4.388 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(NC(=O)Nc3ccccc3)s2)cc([N+](=O)[O-])c1 474807352 IDLPWUVDMVGQPF-UHFFFAOYSA-N 440.437 4.339 5 20 IIBD C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F 475639906 QUBJQEWXMHUOSP-GTNSWQLSSA-N 445.825 4.307 5 20 IIBD CC(C)c1[nH]nc(C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)c1[N+](=O)[O-] 476778712 MEPQQAUDPWWSSW-GFCCVEGCSA-N 426.304 4.147 5 20 IIBD CN1Cc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)ccc2NC1=O 478982545 BJNTUZBLJVBQLP-UHFFFAOYSA-N 431.452 4.437 5 20 IIBD COC(=O)C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(C(F)(F)F)cc1 481586895 QBKMZFOMUQHPIK-HNNXBMFYSA-N 425.363 4.348 5 20 IIBD COC(=O)c1cc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc(Cl)c1F 481590029 XAZRCVXSBKBLCR-UHFFFAOYSA-N 435.839 4.029 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 482806305 PYOOBOBPWYNMRA-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD O=C(Nc1ncc(Cc2ccccc2Cl)s1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 485570686 BEXOCXOWWADQBL-UHFFFAOYSA-N 446.920 4.361 5 20 IIBD O=C(NCC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21)c1c(Cl)cccc1[N+](=O)[O-] 485637579 SBEZGNCVWVFDRY-YQVWRLOYSA-N 441.915 4.163 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NCc1nc(-c2cc(Br)cs2)no1 486142411 AHLVGNQWNZGBDP-UHFFFAOYSA-N 425.264 4.480 5 20 IIBD Cc1cccc(CN(Cc2ccccn2)C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)c1 486266329 CJGYTDRNPHYAEP-UHFFFAOYSA-N 442.479 4.030 5 20 IIBD COC(=O)c1cc(NC(=O)N2CC[C@H](CSc3ccccc3)C2)c(C)c([N+](=O)[O-])c1 486852025 BVCNJPQADUUHOI-HNNXBMFYSA-N 429.498 4.336 5 20 IIBD COc1cccc(COc2cccc(NC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)c2C)c1 487295501 FQOSEKKVAMDFGH-UHFFFAOYSA-N 436.420 4.472 5 20 IIBD COc1cc(C(=O)Nc2nc(C)c(Cc3ccc(F)cc3F)s2)c([N+](=O)[O-])cc1OC 487617233 MMMBOBUFKQJVPS-UHFFFAOYSA-N 449.435 4.498 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(NC(C)=O)sc2c1 488180040 IQJMPBXEMYKSLI-UHFFFAOYSA-N 446.510 4.154 5 20 IIBD CCn1c([C@@H]2CCCN2CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])nc2ccccc21 490170978 YIQLDNJBOKBNLC-SFHVURJKSA-N 427.892 4.393 5 20 IIBD Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC3 491552324 JTVWUXDUUYQXIQ-INIZCTEOSA-N 429.480 4.072 5 20 IIBD CC(C)(C)OC(=O)[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccc1 494807965 JBLRPCWDVCMSGK-FQEVSTJZSA-N 425.485 4.008 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC(c3ccc(Br)cc3)CC2)cc1 499761650 LUTDKYSGCOGMQA-UHFFFAOYSA-N 439.331 4.067 5 20 IIBD C[C@H](c1ccccc1Br)N(C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 503593605 ATZDLLFEQPSWRF-CYBMUJFWSA-N 429.274 4.376 5 20 IIBD O=C(Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1)c1ccc(Cl)cc1[N+](=O)[O-] 504707514 LFPZVHSDSWUQTB-UHFFFAOYSA-N 448.870 4.397 5 20 IIBD Cn1cc(C(=O)Nc2cccc(OCc3cscn3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 505058218 REMJDHVJGSUAPI-UHFFFAOYSA-N 435.465 4.283 5 20 IIBD C[C@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 505491615 QIPHIDQPXNYHQY-INIZCTEOSA-N 438.528 4.250 5 20 IIBD Cn1cnnc1Sc1ccc(-c2nc(-c3nccc4ccccc34)no2)cc1[N+](=O)[O-] 507698304 NNZPJOZHOTVDCS-UHFFFAOYSA-N 431.437 4.140 5 20 IIBD Cc1c(NC(=O)CCCOc2ccc(I)cc2)cccc1[N+](=O)[O-] 508256592 ISBKGSKNSABTHH-UHFFFAOYSA-N 440.237 4.306 5 20 IIBD COCc1nc(CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c(-c2ccccc2)s1 508364677 YLXINXXPSHKXJR-ZDUSSCGKSA-N 429.473 4.424 5 20 IIBD O=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)NCCc1ccc([N+](=O)[O-])cc1 508369514 KWZOVQPHSYGHGL-UHFFFAOYSA-N 443.459 4.495 5 20 IIBD CCN(C(=O)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1)c1ccccc1 508958594 FIVUCNGNLBHPMF-UHFFFAOYSA-N 433.464 4.451 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NCc1ccsc1Br 511952362 KGMUWPQCEWVVEV-UHFFFAOYSA-N 438.225 4.437 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 512277646 MLQCOPADMCUTGA-MHECFPHRSA-N 433.512 4.304 5 20 IIBD O=C(c1cccc2cccc(Br)c12)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 512718078 ILKFOLSAVGCBSO-CQSZACIVSA-N 441.285 4.232 5 20 IIBD COc1ccc(C[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)c2ccc(OC)cc2)cc1 514068973 SPKUDHISTWJOLI-XMMPIXPASA-N 449.507 4.438 5 20 IIBD O=C(Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 514723068 TUTPIJLPKIUUQD-UHFFFAOYSA-N 448.451 4.125 5 20 IIBD CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1cn(Cc2ccccc2)nc1-c1ccccc1 515582489 ZKMAKFFVAIXSRI-UHFFFAOYSA-N 441.491 4.478 5 20 IIBD COc1cc(C(=O)Nc2cc(C)nn2C(C)(C)C)c([N+](=O)[O-])cc1OCc1cscn1 516698505 OKTLEVIYPCPJRH-UHFFFAOYSA-N 445.501 4.151 5 20 IIBD O=C(COc1ccc(-c2ccccc2)cc1[N+](=O)[O-])N1CCO[C@@H](c2ccc(F)cc2)C1 516787612 BHZZRGXVEHDDPJ-HSZRJFAPSA-N 436.439 4.380 5 20 IIBD COc1ccc(Cc2noc(CSCc3ccc(OC)c([N+](=O)[O-])c3)n2)cc1OC 517630068 BBAILHUIUCYUIJ-UHFFFAOYSA-N 431.470 4.028 5 20 IIBD CCNc1ccc(C(=O)Nc2cccc(CN(C)Cc3cscn3)c2)cc1[N+](=O)[O-] 517648483 FWUJZXXYGTUJRA-UHFFFAOYSA-N 425.514 4.367 5 20 IIBD COc1ccc(OC)c(-c2noc(CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)c1 517790074 RAQJATJGCMMVCJ-UHFFFAOYSA-N 438.362 4.335 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](CCC(C)C)c1ccc(Cl)cc1 518146230 YJDJZHPUJRCJMQ-QGZVFWFLSA-N 433.892 4.489 5 20 IIBD COc1cccc(N(CC(C)C)S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 518190298 MDKZGGRZPQKKLA-UHFFFAOYSA-N 443.319 4.217 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)Cc1cccs1 520100932 GDBKPQUFJWUOBD-AWEZNQCLSA-N 432.933 4.475 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC3(CCOCC3)[C@@H]2C2CC2)cc1 521661622 GYPHUJWNOILVSZ-QFIPXVFZSA-N 438.480 4.427 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2cn3c(C)cccc3n2)cc1 521979138 ALXSGQIENAMOBC-UHFFFAOYSA-N 432.436 4.282 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC(=O)N(C)c4ccccc43)cc2[N+](=O)[O-])C1 523099736 HJNJEVUROVGWPK-IAGOWNOFSA-N 436.512 4.090 5 20 IIBD O=C(NC1CCC(C(=O)N2CCSCC2)CC1)c1cc2ccccc2c2cccnc12 523854504 LJKJJLZGCIOZBU-UHFFFAOYSA-N 433.577 4.252 5 20 IIBD O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 524223364 PBMOYMQHTHXJNA-AWEZNQCLSA-N 438.406 4.393 5 20 IIBD O=C(N=c1nc(-c2ccsc2)[nH]s1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 524638536 SFEYKHQTAJIPOI-UHFFFAOYSA-N 437.506 4.461 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC(Cc2ccccc2F)CC1 531040472 DOLGLFPVUIXIQU-UHFFFAOYSA-N 425.504 4.432 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1ccc(CCO)cc1 531906290 PMIXOVHPSFTUSB-UHFFFAOYSA-N 442.475 4.164 5 20 IIBD COc1cc(CNc2cccc(C(=O)N(C)C)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 532727928 UQRRGQZFXVQFRF-UHFFFAOYSA-N 435.480 4.496 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C 535013789 COBCKJCYXWDMRE-GOSISDBHSA-N 437.949 4.019 5 20 IIBD CC[C@@H]1Oc2cc([C@H](C)NCCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)ccc2NC1=O 537154606 WBCHWCDLOKRSHN-LIRRHRJNSA-N 436.468 4.253 5 20 IIBD Cc1cc(NC(=O)[C@@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)ccc1[N+](=O)[O-] 537452513 UXNDTELVAMXRRR-GFCCVEGCSA-N 432.527 4.491 5 20 IIBD Cc1c(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cccc1C(=O)NCCO 537724336 BIGLKMZDXVODKZ-UHFFFAOYSA-N 429.860 4.151 5 20 IIBD COc1cc(C(=O)N[C@@](C)(c2ccccc2)C(F)(F)F)c([N+](=O)[O-])cc1OC(F)F 537753258 RWKAYURKNSJLPG-KRWDZBQOSA-N 434.317 4.412 5 20 IIBD COc1ccc(C)cc1-c1csc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])n1 538496230 YIHBDJFPBBYPKE-UHFFFAOYSA-N 433.511 4.020 5 20 IIBD CN(c1ccccc1)c1ccc(CNc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)cc1[N+](=O)[O-] 539931510 OGWGNHRLTHIPLK-LJQANCHMSA-N 444.491 4.180 5 20 IIBD Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(Nc2ccccc2)c1 540523539 QVDLXIDJJGDHIM-UHFFFAOYSA-N 447.480 4.265 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 540845842 NAWOOKMKISOTFU-MRXNPFEDSA-N 429.546 4.259 5 20 IIBD Cc1c(Cc2noc(CCc3nc(-c4ccc(Cl)cc4)no3)n2)cccc1[N+](=O)[O-] 545068619 IUYIWKZUPFIAOI-UHFFFAOYSA-N 425.832 4.366 5 20 IIBD CCCNC(=O)Nc1ccc(Cc2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)cc1 546489693 HAYXBMLNPXQHIY-UHFFFAOYSA-N 434.456 4.172 5 20 IIBD COc1cccc(OC)c1OCc1noc([C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n1 546490233 WTQDZKJZRSOXCH-LLVKDONJSA-N 435.820 4.367 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC(c3cc(C)[nH]n3)CC2)cc1 546862404 KBVHMIYWFZYERI-UHFFFAOYSA-N 436.468 4.447 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1 547996683 DPFYXDUMXNAHDW-UHFFFAOYSA-N 435.362 4.060 5 20 IIBD O=C1CC[C@H](NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])[C@H](C2CC2)N1 556467026 GEPDIZLWBSIAHM-LPHOPBHVSA-N 445.928 4.186 5 20 IIBD CC(C)(NC(=O)c1cc(O)nc2c(Br)cccc12)c1ccccc1[N+](=O)[O-] 557970056 KWIYCTNOUYZSIX-UHFFFAOYSA-N 430.258 4.276 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1Sc1nncn1C 559539315 LGWOHOAAGHKMAZ-UHFFFAOYSA-N 448.302 4.198 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CNc3cnn(-c4cccc(C(F)(F)F)c4)c3)n2)c1 561897924 JNJQOHWJWVIWSX-UHFFFAOYSA-N 430.346 4.461 5 20 IIBD CC(=O)NCc1ccc(-c2nc(NC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)sc2C)s1 574138808 YQUVAMNZUCQWRZ-NSHDSACASA-N 444.538 4.467 5 20 IIBD O=C(c1ccc(Cl)cc1)c1ccc(OCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 597686175 GDZMIXNIKXGZOZ-UHFFFAOYSA-N 436.851 4.447 5 20 IIBD COC(=O)c1ccc(C)c(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1 603454190 CEHNWMMZMYFIKV-HUUCEWRRSA-N 425.485 4.424 5 20 IIBD CN(Cc1ccc(F)c(F)c1)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 603500817 ACCLLZOKIOOYQA-UHFFFAOYSA-N 432.349 4.145 5 20 IIBD Cc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)ccc1Br 603975814 RQGWXHDMBXXLKQ-UHFFFAOYSA-N 437.218 4.068 5 20 IIBD Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 603982979 XESKXBLTTRYRQG-HUUCEWRRSA-N 445.541 4.131 5 20 IIBD COc1cc(CCNC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)c([N+](=O)[O-])cc1OC 604070735 YQKFIGOOEGBPPY-UHFFFAOYSA-N 438.267 4.373 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](c1ccccc1Cl)N(C)C 604444924 ATURODLEQLLVOY-YVEFUNNKSA-N 426.300 4.088 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 608802798 TZUJCRGMTMGTPR-SFHVURJKSA-N 431.876 4.117 5 20 IIBD O=C(Nc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccs1 608810830 FDXSQQSJJCJJJS-UHFFFAOYSA-N 437.886 4.363 5 20 IIBD C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1cc(F)ccc1N1CCN(C)CC1 608839310 ZAUMWISNQZJUTM-AWEZNQCLSA-N 442.516 4.191 5 20 IIBD Cc1cc(C(=O)Nc2cc(Br)ccc2Sc2nncn2C)cc([N+](=O)[O-])c1 609170094 LEODXOYMUFRVSP-UHFFFAOYSA-N 448.302 4.198 5 20 IIBD Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 609455307 RNGVGUGTFUMGRW-UHFFFAOYSA-N 447.900 4.401 5 20 IIBD CCCCS(=O)(=O)Nc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 610141195 ZPXJSKYDFFMHHB-UHFFFAOYSA-N 426.882 4.434 5 20 IIBD CCN(C(=O)COc1ccc(Br)cc1[N+](=O)[O-])[C@H](C)c1ccc(F)cc1 610219671 ZIHVSSGHAQNVQY-GFCCVEGCSA-N 425.254 4.485 5 20 IIBD CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 618923897 MCSATNYSIKFBLI-QGZVFWFLSA-N 442.903 4.101 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)Nc1ccc(Cl)cc1 725985036 NXVQRBMMDQSPAK-SECBINFHSA-N 427.638 4.195 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OCCCOc2ccccc2Cl)ccc1[N+](=O)[O-] 726731936 KPBLMXWCLOXQKX-LJQANCHMSA-N 446.887 4.174 5 20 IIBD C[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 727140603 UNTACIDRBDHXLE-FOIQADDNSA-N 425.485 4.134 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1 728509498 GWJCTUAJXPALON-UHFFFAOYSA-N 438.383 4.392 5 20 IIBD COc1ccc2cc(CN(C)C(=O)[C@@H](C)OC(=O)c3cccc(C)c3[N+](=O)[O-])ccc2c1 730597887 GVQGTGBSYFATRF-MRXNPFEDSA-N 436.464 4.269 5 20 IIBD C[C@@H](OC(=O)CCc1cc(Br)cs1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 730646739 KSHSSPWMNJKFHS-SECBINFHSA-N 445.266 4.061 5 20 IIBD Cc1nc(-c2ccc([C@H](C)NC(=O)COc3ccc(C=O)cc3[N+](=O)[O-])cc2)cs1 731602145 ACCFWSOYYSJSDX-ZDUSSCGKSA-N 425.466 4.095 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)cc1SC 735700040 QZYPQVGFVMKKTM-CQSZACIVSA-N 431.297 4.096 5 20 IIBD Cc1ccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1Cl 740423753 VQDOVDLSUPWELG-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD CC(C)(C)C(=O)NCc1ccc(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 741568549 PDQGFCPFEJBWAF-UHFFFAOYSA-N 437.452 4.269 5 20 IIBD O=[N+]([O-])c1cn(CN2CCCc3cc(Br)cc(F)c32)nc1-c1ccncc1 742147645 HKAJWVPVUAFYAA-UHFFFAOYSA-N 432.253 4.165 5 20 IIBD Cc1cn(CN(Cc2ccc(F)cc2)CC(F)(F)F)c(=O)n1-c1ccccc1[N+](=O)[O-] 742171455 HVOFVIYZSDULKA-UHFFFAOYSA-N 438.381 4.017 5 20 IIBD O=C(c1cc(OCc2ccccc2)ccn1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 742872456 GDBXHRFFDMRAMJ-UHFFFAOYSA-N 433.464 4.252 5 20 IIBD O=C1CCCN1C[C@H]1CCCCN1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 743159575 UWCOAIMPFXJJCN-LJQANCHMSA-N 438.484 4.396 5 20 IIBD CN(Cc1nc(-c2ccc(-n3cnc4ccccc43)nc2)no1)c1ccccc1[N+](=O)[O-] 743274516 FSUMXHCHCVJINE-UHFFFAOYSA-N 427.424 4.015 5 20 IIBD Cc1cc(COC(=O)c2cc([N+](=O)[O-])ccc2I)c2ccccc2n1 744133384 GLXVPNVRFBUTKO-UHFFFAOYSA-N 448.216 4.413 5 20 IIBD O=C(COC(=O)[C@@H]1CCSc2ccccc21)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 745427159 LEXLKDXKOKARBJ-CYBMUJFWSA-N 440.399 4.375 5 20 IIBD COc1sc(/C=C/c2ccnc(-c3cccc([N+](=O)[O-])c3)[n+]2[O-])cc1Br 746521117 UXRKFOIGBXCKNW-AATRIKPKSA-N 434.271 4.293 5 20 IIBD C[C@H]1Oc2ccc(C(=O)C3CCN(Cc4cc(Cl)ccc4[N+](=O)[O-])CC3)cc2NC1=O 746665780 GAYBKUHLRYVNBG-CYBMUJFWSA-N 443.887 4.063 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 747023368 HHHRCGDPJKAYGW-SNVBAGLBSA-N 427.240 4.196 5 20 IIBD CC[C@H](O)CCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 748552473 UMYZTXCWVRMWGK-QFIPXVFZSA-N 439.556 4.335 5 20 IIBD COC(=O)c1cc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c(Br)cc1F 750197795 HBPNHYDEIWWWGQ-UHFFFAOYSA-N 431.601 4.189 5 20 IIBD Cc1ccc2c(CN3CCc4c(Br)ccc([N+](=O)[O-])c4C3)cc(=O)oc2c1 750616035 MVBCQLRRLODOPM-UHFFFAOYSA-N 429.270 4.330 5 20 IIBD CCOc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2Br)ccc1OC(F)F 751093688 GDSYRXNIQXFGQI-UHFFFAOYSA-N 445.216 4.287 5 20 IIBD COc1cc(N)c([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 753455118 AFXDYFOTLFGBDA-AWEZNQCLSA-N 435.436 4.037 5 20 IIBD C[C@@H](Sc1ccccn1)C(=O)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 754222969 CZXCGZHYARWQJW-SJLPKXTDSA-N 443.525 4.099 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 755029322 RDPSQSRRMBJDSU-OAHLLOKOSA-N 448.273 4.498 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cc(F)c(C(F)(F)F)c(F)c1 758842939 NBBBEMIIUHIOTG-MRVPVSSYSA-N 448.300 4.084 5 20 IIBD Cc1c(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cnc(Cl)c1Br 758946357 GDLHWCYCDNVKPZ-UHFFFAOYSA-N 441.090 4.168 5 20 IIBD COC(=O)c1ccccc1N(C(=O)c1cccc([N+](=O)[O-])c1Br)C1CCC1 759129290 LKLHGCUWBLVCHD-UHFFFAOYSA-N 433.258 4.343 5 20 IIBD CCCN(Cn1nc(C)c2ccc([N+](=O)[O-])cc21)C1CCN(C(=O)c2ccccc2)CC1 761289168 BHJUMWFXZLVNQU-UHFFFAOYSA-N 435.528 4.227 5 20 IIBD O=[N+]([O-])c1ccc(CCc2nc(Cc3ccc(OC(F)(F)F)cc3)no2)c([N+](=O)[O-])c1 761567569 WWPFOXMRXYIDDP-UHFFFAOYSA-N 438.318 4.161 5 20 IIBD COc1cc(COC(=O)C2CCC(NC(=O)CC3CCCC3)CC2)c([N+](=O)[O-])cc1F 766201828 RTQNEPHKZVWUGV-UHFFFAOYSA-N 436.480 4.041 5 20 IIBD CN(C)c1ccc(N(Cc2ccc3ccccc3n2)C(=O)c2ccc([N+](=O)[O-])n2C)cc1 766592620 LBMYWBBKWJFHCK-UHFFFAOYSA-N 429.480 4.395 5 20 IIBD Cc1nn(CC(=O)OCc2ccc([N+](=O)[O-])cc2Br)cc1-c1ccccc1 766708751 DUPZSXHQVUOZQG-UHFFFAOYSA-N 430.258 4.273 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 767196709 WKUIFTRBDBXHCE-OAHLLOKOSA-N 430.386 4.429 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)Cc2c(C)noc2Cl)c2ccccc2)c([N+](=O)[O-])c1 769043610 ZRKPNXKFYDAEOS-IBGZPJMESA-N 443.843 4.319 5 20 IIBD C[C@@H](OC(=O)c1coc(C2CCC2)n1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 769624222 BAZWXFBQOBQIPK-LLVKDONJSA-N 442.453 4.158 5 20 IIBD CC(C)n1ncc2cc(S(=O)(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)ccc21 769635298 BNPCCDYSTQCXIV-UHFFFAOYSA-N 439.291 4.089 5 20 IIBD CCCN(C(=O)c1cc(F)c([N+](=O)[O-])cc1F)C1CCN(C(=O)c2ccccc2)CC1 770416624 VQPBSPCZYPGAFC-UHFFFAOYSA-N 431.439 4.030 5 20 IIBD COc1ccc([C@H](OC)[C@H](C)NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1 772416169 NSDVVDJACLCULH-APPDUMDISA-N 438.278 4.264 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1 776748543 OHZKKUMMYYSFPO-UHFFFAOYSA-N 428.558 4.491 5 20 IIBD COc1c([N+](=O)[O-])cc(N[C@H]2CCO[C@@H](CC(C)C)C2)c([N+](=O)[O-])c1Br 776819665 PQRMODUFAXLGII-QWRGUYRKSA-N 432.271 4.280 5 20 IIBD CC(=O)Nc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)c2ccccc12 777934890 ZIHTVEPYKIERJZ-UHFFFAOYSA-N 433.873 4.469 5 20 IIBD CC(C)(C)[C@H](NC(=O)COC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1cccs1 778165326 GSFLAQASRWYBKP-MRXNPFEDSA-N 426.441 4.195 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 778464395 SURSCPDNVQONKN-GOSISDBHSA-N 433.892 4.173 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)c1nccnc1-c1nc2ccccc2s1 778788210 QOLJZWOJIBQPOE-MRXNPFEDSA-N 447.476 4.097 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2cnc(Cl)c(Br)c2)cc1[N+](=O)[O-] 780718839 KAPWAZWBEOTHDK-UHFFFAOYSA-N 441.090 4.168 5 20 IIBD Cc1cccc(-c2nnc([C@H](C)OC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)c1 781735821 IMTZPNFIVMUXFZ-ZDUSSCGKSA-N 426.385 4.098 5 20 IIBD C[C@@H](OC(=O)CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccccc1)c1cnccn1 782089909 LFKDOKBNYBIXKQ-CQSZACIVSA-N 435.465 4.120 5 20 IIBD COCc1noc([C@H](C)OC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1 785041010 YCPRHBAOHMACAV-NSHDSACASA-N 433.804 4.488 5 20 IIBD C[C@H](OC(=O)c1c(Cl)ccc(Cl)c1N)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 785620914 VBRHKJKZHUZORN-ZETCQYMHSA-N 432.647 4.321 5 20 IIBD Cc1oc(-c2cccs2)nc1COC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 786788882 XDQIMNMHYAZDIH-UHFFFAOYSA-N 425.422 4.290 5 20 IIBD C[C@@H]1CCCN(Cc2csc(NC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])n2)C1 790499686 YKLFHFPDOCEODL-LLVKDONJSA-N 426.901 4.257 5 20 IIBD CN(C)[C@@H](CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 790569400 WWKCTDXCSSSOGE-KRWDZBQOSA-N 447.816 4.368 5 20 IIBD Cc1cccc(CCNc2ccc([N+](=O)[O-])c(NCCc3cccc(C)n3)c2[N+](=O)[O-])n1 795189518 KXXIRBMEOTYBHU-UHFFFAOYSA-N 436.472 4.219 5 20 IIBD Cc1cc(C)c(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)cc1I 796559528 ZEIAKFJMQZSJAD-UHFFFAOYSA-N 432.164 4.347 5 20 IIBD COCC1(C(=O)Oc2cc([N+](=O)[O-])c(Cl)cc2C)CCN(C(=O)OC(C)(C)C)CC1 796690143 UIBBZUWZWJDTSS-UHFFFAOYSA-N 442.896 4.126 5 20 IIBD O=[N+]([O-])c1ccc(N2CCOC[C@@H]2C[C@@H](O)c2cccs2)nc1-c1ccc(F)cc1 797436070 VRQAOAYXXCKLCA-FUHWJXTLSA-N 429.473 4.186 5 20 IIBD O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)Nc2cc3c(cc2Cl)OCCCO3)c1 798247267 NLGRWVUBZQQYCF-UHFFFAOYSA-N 437.232 4.003 5 20 IIBD COc1ccc(CN(CC2CC2)C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c(OC)c1 800367381 GDZFIXZWLUAKCA-UHFFFAOYSA-N 443.456 4.189 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 804536334 SVCKVJNFAWPANO-SANMLTNESA-N 448.567 4.323 5 20 IIBD COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OC(=O)OC[C@H]1CCCO1 804938336 VOZQKWKFWFCZDG-VQIMIIECSA-N 440.452 4.280 5 20 IIBD C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 806368618 ZCHGTYGJFLCLEJ-NSHDSACASA-N 449.309 4.215 5 20 IIBD CC[C@@H](c1cccc(OC)c1)N(C)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 808325079 OLESRMYZTHRWHA-INIZCTEOSA-N 443.319 4.138 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)CCSc2cccc(Cl)c2)c([N+](=O)[O-])c1 808702661 KWZBPTIEJDXWCH-LBPRGKRZSA-N 438.889 4.309 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)O[C@H]2CCN3CCC[C@H]3C2)cc1[N+](=O)[O-] 810848368 TXRFFQJWIADIEG-IRXDYDNUSA-N 440.521 4.331 5 20 IIBD CCOc1ccc([C@@H]2CCCN2C(=O)COC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc1 815406297 CFZJPDUASJPSRH-IBGZPJMESA-N 446.887 4.476 5 20 IIBD COc1cccc(Cc2cnc(NS(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)s2)c1 817997440 PQZPRUXJPODZDL-UHFFFAOYSA-N 433.511 4.068 5 20 IIBD CCc1ccc([C@H](C)NC(=O)[C@H](C)OC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 856620583 OXTBAKXPDSFHRR-HRCADAONSA-N 430.526 4.447 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1Cc1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 857832102 KXPLGAYWSXJAFU-UHFFFAOYSA-N 433.420 4.062 5 20 IIBD C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 916537988 VZCXNPJNNWXMHE-CYBMUJFWSA-N 434.876 4.495 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)O[C@@H](C)C(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 919225174 UIMZNIYVOBQJNU-JTQLQIEISA-N 437.202 4.002 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC(=O)c1cccc(C(F)(F)F)c1 920777343 CJIWSEBVPYFAMA-JTQLQIEISA-N 431.750 4.460 5 20 IIBD CCOC(=O)C1(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)CCCC1 1115888809 DAXBPQIZZLZROG-UHFFFAOYSA-N 435.527 4.117 5 20 IIBD CCc1ccc(-c2nnc(CN3CCN(Cc4ccccc4Cl)CC3)o2)cc1[N+](=O)[O-] 1117240116 RLAWYJAVSRCBLY-UHFFFAOYSA-N 441.919 4.178 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCO[C@@H](c2ccc(Cl)s2)C1 1318941034 GJMJLJHYZXNPKE-LJQANCHMSA-N 438.936 4.470 5 20 IIBD Cn1nc2ccccc2c1C(=O)O[C@@H](c1ccc(Br)cc1)C(C)(C)[N+](=O)[O-] 1342675155 OPQOAHQAHULHAK-KRWDZBQOSA-N 432.274 4.289 5 20 IIBD O=C(Nc1n[nH]c(-c2cccc(Cl)c2)n1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 1348628200 CLCVVWWTERMVKK-UHFFFAOYSA-N 426.845 4.409 5 20 IIBD CCc1noc(C)c1C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1 1785750853 XUPLGCPHKNZNSS-UHFFFAOYSA-N 438.440 4.108 5 20 IIBD O=C(Cc1cc([N+](=O)[O-])ccc1F)Nc1ccc(C2(NC(=O)c3ccncc3)CCC2)cc1 1786672732 HLHRAGYJKDOPAK-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])NC1(c2ccc(NC(=O)c3cnoc3)cc2)CCC1 1788708663 XPKFKAXTNIVJDL-IZZDOVSWSA-N 432.436 4.044 5 20 IIBD C/C(=C\c1cccs1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(F)c1[N+](=O)[O-] 1800526431 AGDGJWHQGZRCRM-SJFJNONHSA-N 443.500 4.151 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1C1CC1)c1cccc(F)c1[N+](=O)[O-] 1803519473 PTBGRKCPPLMMHX-BJWYYQGGSA-N 437.471 4.177 5 20 IIBD Cc1cc(Cl)ccc1C(=O)N1CCC2(CCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)CC1 1804641757 HCKXXGAACOLMKG-UHFFFAOYSA-N 445.903 4.308 5 20 IIBD CC/C=C(\C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])[nH]n1 1823096945 JNRYROSFIZPTAK-SDSFWRRZSA-N 429.452 4.119 5 20 IIBD CCOc1ccc(C(=O)O[C@H](C)C(=O)N(c2nccs2)C2CCCCC2)cc1[N+](=O)[O-] 11183677 VKMAUQDSAQOPOC-CQSZACIVSA-N 447.513 4.361 5 20 IIBD O=C(COC(=O)CCc1ncc(-c2ccccc2F)o1)Nc1ccc([N+](=O)[O-])cc1Cl 12273110 AUOCICBEZVPXQW-UHFFFAOYSA-N 447.806 4.157 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCc2sccc2C1 14324440 RXPIULLMWBAYNM-UHFFFAOYSA-N 445.522 4.028 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ncn[nH]1)c1cccc(C(F)(F)F)c1 14574550 LDSNZFXANHIIPZ-SNVBAGLBSA-N 437.403 4.374 5 20 IIBD COc1ccccc1Oc1ccc(NC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 16303548 CRHWDPAXIRJXNX-UHFFFAOYSA-N 435.436 4.073 5 20 IIBD CCn1cc(C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc21 16402563 SKBPKGRTQIMDKV-UHFFFAOYSA-N 435.358 4.384 5 20 IIBD O=C(COC(=O)c1csc(-c2ccc(Cl)cc2)n1)Nc1ccc(F)c([N+](=O)[O-])c1 16457161 LDCJTYSQDKXBCH-UHFFFAOYSA-N 435.820 4.306 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(Cc2cccs2)n1C1CC1 17272972 PEKMTALUNATTMQ-UHFFFAOYSA-N 429.527 4.213 5 20 IIBD CCCOc1c(Cl)cc(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC 23582824 RBWOLNAALVMVBQ-UHFFFAOYSA-N 447.831 4.453 5 20 IIBD CCN(CC)C(=O)Nc1ccc([C@@H](C)NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc1 60500155 WRKRFZWNQIJYNJ-MRXNPFEDSA-N 448.545 4.125 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 69726041 AJSXSOGQXIKRPC-BTYIYWSLSA-N 437.883 4.272 5 20 IIBD O=C(NC1CCN(CC(F)F)CC1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 109521426 DREBCCFBULVLLI-UHFFFAOYSA-N 439.846 4.500 5 20 IIBD COc1cc(/C=C(/Cl)c2nnc(C(=O)Nc3ccccc3)s2)cc([N+](=O)[O-])c1O 213531073 VOXJLHFQJAVPQA-KPKJPENVSA-N 432.845 4.150 5 20 IIBD Cc1cc(N2CCC(n3ccc(C(F)(F)F)n3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 302048346 OARAQWNJMGWHCP-UHFFFAOYSA-N 432.406 4.417 5 20 IIBD C[C@H](Nc1ccc(C(=O)N(C)CCN(C)c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 303247645 BBRPCBCTCKEUNK-SFHVURJKSA-N 433.512 4.371 5 20 IIBD Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303480918 SWMJJQFQVWCJJG-ZWKOTPCHSA-N 429.542 4.473 5 20 IIBD COc1cc(C(=O)NCCc2ccc(Cl)cc2)c([N+](=O)[O-])cc1OCc1cscn1 409869814 KQZGWWPYZQIEFK-UHFFFAOYSA-N 447.900 4.265 5 20 IIBD Cc1c(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)nnn1Cc1ccc(C(F)(F)F)cc1 426891207 WYQGOCOXXPRCCH-UHFFFAOYSA-N 445.401 4.155 5 20 IIBD C[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H](c2cccc(C(F)(F)F)c2)O1 428934189 WCAVGAFSFIYNPK-AUUYWEPGSA-N 437.418 4.038 5 20 IIBD COc1cc(F)c([C@H](C)NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1OC 430926469 GMZCXEIJYZVVOU-VIFPVBQESA-N 427.226 4.005 5 20 IIBD O=C(Nc1cccc(CN2CCOCC2)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436148045 AXCFHNCUMKKTOW-UHFFFAOYSA-N 449.457 4.044 5 20 IIBD CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1cc([N+](=O)[O-])ccc1O 436672978 HPJWHNISJDALRD-UHFFFAOYSA-N 426.256 4.098 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(COCCOc2ccccc2)c1 437052425 DFVOAUVKWDSDTQ-UHFFFAOYSA-N 449.463 4.076 5 20 IIBD CCC[C@@]1(C)CCCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 437367893 ABENCEOJXKSPAH-QFIPXVFZSA-N 445.541 4.438 5 20 IIBD O=C(NCc1ccc(OCCN2CCCC2)cc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 444011094 OYVONIAQDFIOLQ-UHFFFAOYSA-N 441.531 4.086 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)c1nc2ccccc2n1C(F)F 444657814 AASUSDHMJVAARU-NEPJUHHUSA-N 433.415 4.026 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Br)ccc2F)c(C(F)(F)F)c1 447005826 IWGNIWHFDKENJK-UHFFFAOYSA-N 443.172 4.316 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(CS(=O)(=O)c3ccc(F)cc3F)c2)c1 460131916 FCFQPIDDSPDOJV-UHFFFAOYSA-N 446.431 4.408 5 20 IIBD CC(C)n1cc2cc(NS(=O)(=O)c3cc(Br)cc([N+](=O)[O-])c3)ccc2n1 461455479 YMGUYKXHMXNWIN-UHFFFAOYSA-N 439.291 4.089 5 20 IIBD C[C@@H]1[C@H](Cc2ccccc2)CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 461642088 SYOKYKCBQKZXCC-NRSPTQNISA-N 447.539 4.347 5 20 IIBD Cc1ccc([C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)c2cccc(S(C)(=O)=O)c2)cc1 466290931 ULZQDQLTXUWJAI-NRFANRHFSA-N 439.493 4.218 5 20 IIBD CCc1cc(=N[C@@H](C)c2ccc3c(c2)O[C@@H](CC)C(=O)N3)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 467012217 BZXBUVLATCBNKR-XOBRGWDASA-N 447.495 4.319 5 20 IIBD C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c2ccccc2S1 469098448 YAPDLZWXJFJLIQ-SNVBAGLBSA-N 429.317 4.047 5 20 IIBD Cc1nc2ccccc2n1C1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 475509212 ODAPMOUEVLGUHM-UHFFFAOYSA-N 430.512 4.491 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Br)cc1OC(F)(F)F 475587545 GGHSZAGBUJASHA-UHFFFAOYSA-N 435.152 4.273 5 20 IIBD Cn1cnc([N+](=O)[O-])c1CSc1nnc(Nc2ccc(OC(F)(F)F)cc2)s1 476498797 GFRFIODCKONDRJ-UHFFFAOYSA-N 432.409 4.114 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O 476758888 HGKDHVZBUKELOB-UHFFFAOYSA-N 429.835 4.010 5 20 IIBD NS(=O)(=O)c1cccc(Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)c1[N+](=O)[O-] 480853941 QMYQAONDUAYRQX-UHFFFAOYSA-N 444.416 4.128 5 20 IIBD O=C(Nc1ncc(Cc2ccc(F)c(F)c2)s1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 481853421 CVLNYGBFKSFEPC-UHFFFAOYSA-N 441.419 4.358 5 20 IIBD COc1ccc(-c2ccc(CN3CCC(c4nnc5n4CCCC5)CC3)o2)c([N+](=O)[O-])c1 482507726 NNTCSEKAXGUJCY-UHFFFAOYSA-N 437.500 4.171 5 20 IIBD O=C(NC[C@@H]1CCN(C2CC2)C1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 484468751 CNRZZMYFCAXRHM-HNNXBMFYSA-N 428.920 4.074 5 20 IIBD O=C(Nc1n[nH]c(-c2cc3ccccc3o2)n1)c1cc(Br)cc([N+](=O)[O-])c1 485112224 GRXISTFBZBTWIO-UHFFFAOYSA-N 428.202 4.141 5 20 IIBD CSc1cccc(C(=O)NCCCc2nnc(SC)n2C2CCCC2)c1[N+](=O)[O-] 485742206 MHPGOKBFEXNRRD-UHFFFAOYSA-N 435.575 4.108 5 20 IIBD COC(=O)c1cc(NC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)c(C)c([N+](=O)[O-])c1 485982528 SUJWJFBBOBGFLZ-GJZGRUSLSA-N 433.258 4.195 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N1CCc2cc(Br)ccc21 486304558 POZDKMFEGZBPJW-UHFFFAOYSA-N 432.093 4.384 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)c1cccc(SC)c1[N+](=O)[O-])N1CCCCC1 486465988 GSAMNGQQFBDASA-GOSISDBHSA-N 429.542 4.282 5 20 IIBD CSc1cccc(C(=O)N2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)c1[N+](=O)[O-] 486477378 HRGDGNMTURNAEM-UHFFFAOYSA-N 448.932 4.350 5 20 IIBD O=C(c1cc(Cl)ccc1OC1CCCC1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 487078643 ZMYDGLSSNPOZJV-HNNXBMFYSA-N 430.892 4.291 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1ccccc1OCCn1ccnc1 488302567 SXUPLHHLHMBBJQ-UHFFFAOYSA-N 449.389 4.211 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1cccc(-n2cccn2)c1 489933885 MNYOEZYSTWWQSC-OAHLLOKOSA-N 426.498 4.010 5 20 IIBD COc1ccccc1CN(C[C@H]1CCCO1)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 493109015 YNZXCAFGGQRRIN-FXAWDEMLSA-N 427.501 4.364 5 20 IIBD CCOc1ccc(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1OC 494236802 GOCINBIGMVNUFO-UHFFFAOYSA-N 427.379 4.020 5 20 IIBD CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)Nc1ccc(C)c(C(F)(F)F)c1 495355953 YYIHFMWXVFSKLI-CYBMUJFWSA-N 445.419 4.005 5 20 IIBD O=C(Nc1nc2c(C(F)(F)F)cccc2s1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 496987225 FDHSDALEAFZAEQ-UHFFFAOYSA-N 434.359 4.056 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)cc1[N+](=O)[O-] 498466239 BHTIBRLSIXJPDX-UHFFFAOYSA-N 443.525 4.020 5 20 IIBD Cc1c(Br)cc(C(=O)N(C)CC2CCN(c3ccncc3)CC2)cc1[N+](=O)[O-] 499439756 XPUNWNHTXYFFEF-UHFFFAOYSA-N 447.333 4.049 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(NC(=O)c2cccnc2)cc1 499648648 NFYRHJGDVJHPPV-OAHLLOKOSA-N 436.493 4.039 5 20 IIBD CC[C@@H](NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1OC(F)F 502644277 LNSOLBXXTVJUJV-MRXNPFEDSA-N 434.443 4.179 5 20 IIBD O=C(CCN1CCCCC1)Nc1ccc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1 505797940 YDOPNWQLDAAQKC-UHFFFAOYSA-N 449.511 4.003 5 20 IIBD O=C(CCN1CCCCC1)Nc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 505824277 KUOREJBTFMAQRP-UHFFFAOYSA-N 436.468 4.408 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCCCO[C@H]3CCCCO3)cc2[N+](=O)[O-])n1 506776722 NNLNJYJCCBYHCC-KRWDZBQOSA-N 437.543 4.174 5 20 IIBD O=C(CC[S@@](=O)Cc1csc(CCc2ccccc2)n1)Nc1ccccc1[N+](=O)[O-] 507685046 XMTQLVNQWUGPCI-SSEXGKCCSA-N 443.550 4.114 5 20 IIBD COc1ccc2[nH]cc(C3CCN(c4nnc(-c5cccc([N+](=O)[O-])c5)n4C)CC3)c2c1 507928210 CHHGPJWQGCGMQS-UHFFFAOYSA-N 432.484 4.264 5 20 IIBD O=C(CSc1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 509633259 KTENTTGJPVJLTQ-UHFFFAOYSA-N 446.481 4.298 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCc2c(ncn2CCc2ccccc2)C1 511918228 CHHOZGMBTYCXBD-UHFFFAOYSA-N 425.876 4.278 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N3CCC[C@]3(C)CCCO)c([N+](=O)[O-])c2)c(C)c1 512912780 IXYTUUVPJGWNBY-JOCHJYFZSA-N 447.557 4.144 5 20 IIBD Cc1cc(I)ccc1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 514518417 HFLLXYMCQAUCDU-LBPRGKRZSA-N 439.253 4.255 5 20 IIBD O=C(Nc1ccc2nccnc2c1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 515681444 VSCLGGYVDSZZSV-UHFFFAOYSA-N 445.401 4.412 5 20 IIBD Cc1cc(C)nc(-n2nc(C)c(CC(=O)N(c3cccc([N+](=O)[O-])c3)C3CCCC3)c2C)n1 518360459 VQTVVXFQXMTNGH-UHFFFAOYSA-N 448.527 4.322 5 20 IIBD CS(=O)(=O)c1cc(C(=O)N2CCCCC[C@@H]2c2ccc(Cl)cc2)cc([N+](=O)[O-])c1 518493486 JHRIOIJMGQPRAX-LJQANCHMSA-N 436.917 4.409 5 20 IIBD Cc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1S(=O)(=O)Nc1ccccc1F 518805037 YKIVNHVZPSAGCE-UHFFFAOYSA-N 447.419 4.235 5 20 IIBD O=C(Nc1nc2cc(F)c(Br)cc2s1)c1cc2c(cc1[N+](=O)[O-])OCO2 521722107 XNHBYHLKNVLRIM-UHFFFAOYSA-N 440.206 4.087 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc3nc(-c4ccc(F)cc4)oc3c2)cc1[N+](=O)[O-] 521961730 VFYQEUGWCSJYQY-UHFFFAOYSA-N 443.412 4.352 5 20 IIBD CC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 522543227 MUWNUHCKTCLVPP-MRXNPFEDSA-N 445.932 4.279 5 20 IIBD CN(C(=O)CSCC(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1)C1CCCCC1 522875347 CPTVTLMRHPETPZ-UHFFFAOYSA-N 433.574 4.395 5 20 IIBD CC(C)(C)c1nc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cs1 523956882 NLWYVUAENJGLKB-UHFFFAOYSA-N 442.463 4.330 5 20 IIBD CCCN(C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@H]1C[C@H](OCC)C1(C)C 525377208 OCHDHHQDTYDBNP-IRXDYDNUSA-N 430.448 4.261 5 20 IIBD NS(=O)(=O)c1c(NCC2(c3cc(C(F)(F)F)ccc3Cl)CC2)cccc1[N+](=O)[O-] 530331750 ONFZGJXEOGKADZ-UHFFFAOYSA-N 449.838 4.058 5 20 IIBD CN1CC[C@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 536493314 UGTGVRDTQDGWDJ-FOIQADDNSA-N 433.911 4.474 5 20 IIBD C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 537989537 CLIZAYGXTGNHJY-KRWDZBQOSA-N 431.558 4.447 5 20 IIBD CC(=O)c1cccc(O[C@@H](C)C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)c1 540451099 GWUMKHMGWWGGNG-AWEZNQCLSA-N 425.466 4.351 5 20 IIBD CC[C@@H](N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1nc(C(F)(F)F)cs1 543495430 AUWISTXHAFNRKD-MWLCHTKSSA-N 432.424 4.147 5 20 IIBD COc1ccc([C@@H](CN2CCCC2)Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)cc1 544395873 QIYPRQXPMAPMSV-JOCHJYFZSA-N 438.528 4.088 5 20 IIBD C[C@H](CNC(=O)c1ccccc1)c1noc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1 545758439 ZNMJSUMSXLYHIS-CYBMUJFWSA-N 435.465 4.302 5 20 IIBD CCc1ccc([C@H](NCc2cccc(C(=O)N3CCOCC3)c2)c2ccc([N+](=O)[O-])cc2)o1 546692387 MMZDDXYHWXALQQ-XMMPIXPASA-N 449.507 4.102 5 20 IIBD COc1ccc(CN(C(=O)NCCc2ccccc2[N+](=O)[O-])[C@H](C)C2CC2)c(OC)c1 549109222 SEFVODCEGGUKRZ-MRXNPFEDSA-N 427.501 4.165 5 20 IIBD CN1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c2cc(F)ccc21 553173992 GCNBWIXSKVISLF-UHFFFAOYSA-N 434.276 4.076 5 20 IIBD O=[N+]([O-])c1ccccc1N1CCN(c2nnc(-c3ccccc3)n2Cc2cccs2)CC1 555439495 FZBYKMUMOSHHLG-UHFFFAOYSA-N 446.536 4.290 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1cccc(N2CCCC2)c1 560191646 XKSLTFQMEKNXCG-INIZCTEOSA-N 438.528 4.308 5 20 IIBD COC(=O)c1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)o1 566934181 PAPGKTYLOUQCQP-UHFFFAOYSA-N 435.230 4.287 5 20 IIBD COc1ccccc1NC(=O)C1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 568301068 SZEXQUGLTCOJTK-UHFFFAOYSA-N 437.418 4.473 5 20 IIBD C[C@@H](NCc1cc(I)cc([N+](=O)[O-])c1)c1ccc(-n2cccn2)cc1 569857964 MPLPXJFJYLIQCB-CYBMUJFWSA-N 448.264 4.236 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCc2nc(-c3ccccc3Cl)sc2C1 572156875 QJEQGBKTDUQTQY-UHFFFAOYSA-N 449.941 4.427 5 20 IIBD O=C(NCc1ccncc1OC[C@H]1CCOC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 573238540 LJZIVBVNLSEDBQ-KRWDZBQOSA-N 448.479 4.079 5 20 IIBD COc1cc(CN2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c([N+](=O)[O-])cc1OC(F)F 574866721 ZMKMUXWSPMIULM-MJGOQNOKSA-N 447.482 4.159 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1cccc(NC(=O)c2cccs2)c1 602389619 WRGBINWLDBGBSO-CYBMUJFWSA-N 440.481 4.356 5 20 IIBD CCCCCOc1ccc([C@@H](C)NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1OC 603773156 XHJUBLVTIGQPMQ-CQSZACIVSA-N 430.457 4.392 5 20 IIBD CCc1nc(CSc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])cs1 604056003 PRAZTPBZXLUBRI-UHFFFAOYSA-N 441.600 4.471 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)Nc1ccc(Br)cc1Br 604476211 LNYSPGMWYIDXDP-UHFFFAOYSA-N 429.068 4.442 5 20 IIBD Nc1c(C(=O)Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)cc(F)cc1[N+](=O)[O-] 604545912 KNWRXHHMTQZBJP-UHFFFAOYSA-N 448.454 4.090 5 20 IIBD Cc1sc(NC(=O)C[C@@H](C)NC(=O)C2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 608939808 OHKKNBJDTSHWHI-CYBMUJFWSA-N 430.530 4.440 5 20 IIBD COC(=O)c1ccc2c(c1)CN(c1c([N+](=O)[O-])cnc3ccc(Br)cc13)C2 609287981 MNRXYDWIDJERKV-UHFFFAOYSA-N 428.242 4.212 5 20 IIBD COc1cc(C(=O)NC[C@H]2CCCN(C)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 609383071 FSPYBQVUDKONOI-CQSZACIVSA-N 433.892 4.121 5 20 IIBD COCCOc1c(Cl)cccc1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 609725218 ODJFDMSNNAIDOI-UHFFFAOYSA-N 429.256 4.334 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)Nc3ccnc(C(=O)N(C)C)c3)cc2[N+](=O)[O-])cc1 609860721 ZYJQFRIOFNEFBC-UHFFFAOYSA-N 436.493 4.404 5 20 IIBD Cc1ccc(SCC(F)(F)F)c(NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)c1 609912020 DCLQVXOOSMIGEP-GFCCVEGCSA-N 441.431 4.315 5 20 IIBD Cc1cnn([C@H]2CCCc3ccccc32)c1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 610032612 NYVDPTLCXNJKPX-KRWDZBQOSA-N 446.916 4.480 5 20 IIBD Cn1cnnc1Sc1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1Cl 610062726 AXZWASHNQFTAIC-UHFFFAOYSA-N 431.905 4.444 5 20 IIBD COc1cc(CNCc2ccc([S@](C)=O)cc2)c([N+](=O)[O-])cc1OCc1ccccc1 610574707 AOHIGEBSCDIOPL-HKBQPEDESA-N 440.521 4.210 5 20 IIBD C[S@](=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cc1 610622993 MKCXHYYLBKAHMF-LJAQVGFWSA-N 426.519 4.413 5 20 IIBD O=C(CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC1)N1CCCC1 611200749 HMWZREWCUOISLO-UHFFFAOYSA-N 445.585 4.494 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 611206396 KINIPMZRQVTQAU-RYUDHWBXSA-N 446.369 4.146 5 20 IIBD Cc1c(CNC(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)cccc1[N+](=O)[O-] 616304934 VBYXLECLQRGOEG-UHFFFAOYSA-N 443.301 4.415 5 20 IIBD C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CCOC(c2ccccc2)c2ccccc2)C1=O 619237425 VMNXHZFGTOFJPT-VWLOTQADSA-N 445.475 4.168 5 20 IIBD CCCCn1ccnc1-c1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)c1 619507265 WXVQWQOMDQTKQJ-UHFFFAOYSA-N 430.486 4.068 5 20 IIBD Cc1ccc(C(=O)N2CCC[C@@H](COC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)C2)o1 726359312 SASNZRGAPVMGGG-HZPDHXFCSA-N 432.498 4.072 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)OCc1csc(-c2ccc3c(c2)OCO3)n1 726634968 KCJAFYHLUXOQBO-UHFFFAOYSA-N 430.463 4.283 5 20 IIBD COc1ccc(CC(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1[N+](=O)[O-] 727885801 HINODFKJMSMJOD-INIZCTEOSA-N 434.448 4.383 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)O[C@@H](c2ccccc2)c2cccnc2)cc1[N+](=O)[O-] 728417964 IIQYHDJFJXLLIB-FQEVSTJZSA-N 447.476 4.216 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCC(=O)N[C@@H](c2ccc(C)cc2)C2CC2)cc1SC 728650690 KFGMAOGNYXOOSC-NRFANRHFSA-N 444.509 4.058 5 20 IIBD COc1ccc([C@@H](OC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)[C@H](C)n2cccn2)cc1 729801558 BSPHSTRVHGWUJH-AOMKIAJQSA-N 447.451 4.145 5 20 IIBD CCCN1C(=S)N[C@H](c2csc(CC)n2)C(C(=O)Nc2cccc([N+](=O)[O-])c2)=C1C 731421843 DCCUNCMYBDMQTI-GOSISDBHSA-N 445.570 4.168 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl 731606103 IDQCZFJJZDAHMT-LLVKDONJSA-N 441.267 4.321 5 20 IIBD C[C@@H](OC(=O)c1ccccc1COc1cccc(C=O)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 731749165 CCBGPMYQAWJQND-MRXNPFEDSA-N 448.431 4.170 5 20 IIBD C[C@@]1(c2ccc(OC(F)(F)F)cc2)NC(=O)N(Cc2cc([N+](=O)[O-])ccc2Cl)C1=O 735415712 PHWPCZGBUBZEPZ-KRWDZBQOSA-N 443.765 4.114 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@H](C)SCc3ccccc3)CC2)ccc1[N+](=O)[O-] 739382214 WPPHINNMCNYGGQ-INIZCTEOSA-N 430.526 4.437 5 20 IIBD CC(=O)Nc1cccc(N=c2scc(-c3cnn(C)c3)n2Cc2ccc([N+](=O)[O-])cc2)c1 741154933 NTJREYOEZBJZSI-UHFFFAOYSA-N 448.508 4.097 5 20 IIBD C[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 742574860 VTLYTYQNCWSFNZ-OXJNMPFZSA-N 427.501 4.156 5 20 IIBD C[C@H](OC(=O)c1cc(F)ccc1[N+](=O)[O-])C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 743197317 LQNOFQKWNMPHAN-UWVGGRQHSA-N 429.231 4.463 5 20 IIBD C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 743980808 CZOGVKWUWCDKOA-GOSISDBHSA-N 434.540 4.251 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)C2(c3cccc(Cl)c3)CCOCC2)cccc1[N+](=O)[O-] 744850206 MOGWLTHLGMGTOW-HNNXBMFYSA-N 446.887 4.175 5 20 IIBD COc1ccc(OCCOC(=O)[C@H]2C[C@H]2c2cccc(Br)c2)c([N+](=O)[O-])c1 744893334 VKTHPPLDRCLUSA-HOTGVXAUSA-N 436.258 4.092 5 20 IIBD O=C(C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1)OCc1ccc([N+](=O)[O-])cc1F 746959640 SQDIIZVBESVAGN-NRFANRHFSA-N 438.411 4.044 5 20 IIBD CO[C@@H](C)c1noc(COC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1 747678177 VUNYEBHLOPMEKG-NSHDSACASA-N 433.804 4.488 5 20 IIBD Cc1ccc(Br)cc1NC(=O)CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] 749934029 NSWDAJAWTGRSAV-UHFFFAOYSA-N 440.681 4.078 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CCO[C@@H](c2ccccc2)C1 750844335 XWGPANIRVCSSIM-OAHLLOKOSA-N 425.666 4.224 5 20 IIBD Cc1sc(NC(=O)COC(=O)c2ccc(Br)cc2[N+](=O)[O-])c(C)c1C 750966793 YXQARMYQFUPSMZ-UHFFFAOYSA-N 427.276 4.140 5 20 IIBD O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1cc([N+](=O)[O-])ccc1Br 751055319 SSVCYIKWEGVFON-UHFFFAOYSA-N 440.681 4.100 5 20 IIBD CCCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1CCCN(Cc2ccccc2)C1 751169696 SYRFXJCDCXHQEW-LJQANCHMSA-N 426.473 4.020 5 20 IIBD COC(=O)c1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1Cl 755006064 MGKBNGSZFJNXQI-UHFFFAOYSA-N 431.601 4.189 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2c(F)cc(Br)cc2F)cccc1[N+](=O)[O-] 756605312 WUJSNIGJOFCGTH-SECBINFHSA-N 443.200 4.128 5 20 IIBD C[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1nc(-c2ccc(Cl)cc2)no1 759216177 KSEPKGKCGALIQW-LLVKDONJSA-N 425.832 4.199 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 760037169 ISMNGWWALDYYOA-FQEVSTJZSA-N 447.438 4.010 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CCC(O)(c3ccccc3)CC2)CC1 760706601 ALBVGPNQARQQHS-UHFFFAOYSA-N 437.540 4.391 5 20 IIBD Cc1nn(C)c(C)c1[C@@H](OC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F 760764574 OAIGWTKZUBGYOO-MRXNPFEDSA-N 435.786 4.214 5 20 IIBD COc1cc(OCc2nc(-c3ccnc(OCc4ccccc4)c3)no2)ccc1[N+](=O)[O-] 761682755 RYPKTRBEUKOFPP-UHFFFAOYSA-N 434.408 4.206 5 20 IIBD C[C@@H](C(=O)Oc1ccc(N(C)S(=O)(=O)c2cccs2)cc1)c1cccc([N+](=O)[O-])c1 762954484 SSRABDOUNAQGCC-CQSZACIVSA-N 446.506 4.191 5 20 IIBD O=C(NC[C@@H](O)c1ccc(Cl)c(F)c1)Nc1ccc(Br)c([N+](=O)[O-])c1 762971653 NVFCPBQELHXCKX-CQSZACIVSA-N 432.633 4.005 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)N(Cn1nc(-c3ccccn3)n(Cc3ccco3)c1=S)CC2 764908288 LDPUKOUBEZLWLL-UHFFFAOYSA-N 434.481 4.046 5 20 IIBD CCOC(=O)C[C@@H](OC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccc(F)c(F)c1 766951920 IHXPONIIDCUHPL-ADLMAVQZSA-N 425.359 4.353 5 20 IIBD O=C(NCc1cccc(C(=O)NCc2ccco2)c1)Nc1ccc([N+](=O)[O-])c(Cl)c1 770007406 GGLTYFRWLHUQIA-UHFFFAOYSA-N 428.832 4.093 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CN3CCOC[C@H]3C[C@@H](O)c3ccccc3)cs2)c1 770350245 GKHPMAIVXQBVJD-NHCUHLMSSA-N 425.510 4.043 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 770565762 DSSRGOZURVVKOV-MRXNPFEDSA-N 438.259 4.153 5 20 IIBD CC(C)NC(=O)Nc1cccc(C(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])c1 776132010 GWQQIWLQYLQWGO-NRFANRHFSA-N 434.452 4.466 5 20 IIBD CN(C)c1nc2sc(C(=O)OCc3cnc(-c4ccc([N+](=O)[O-])cc4)o3)cc2s1 776209723 SVASINGKAOKWKJ-UHFFFAOYSA-N 430.467 4.344 5 20 IIBD COc1ccc([C@H]2[C@H](COC(=O)c3cccc(SC)c3[N+](=O)[O-])CCC(=O)N2C)cc1 777320148 DTOXHYXVRVXSFJ-YWZLYKJASA-N 444.509 4.092 5 20 IIBD COc1c(F)cc(S(=O)(=O)Nc2cccc(C3SCCS3)c2)cc1[N+](=O)[O-] 777598461 KIZQWGQCSPZSOT-UHFFFAOYSA-N 430.504 4.022 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3csc(C)n3)c2)cc1[N+](=O)[O-] 777600438 VOHANWHZXSQODF-UHFFFAOYSA-N 448.482 4.006 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 778720674 WARNNPYGTHUFIJ-UKRRQHHQSA-N 446.529 4.094 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCO[C@H](c3ccc(F)cc3F)C2)CC1 779288469 WBHMRMGXFWVNFJ-QFIPXVFZSA-N 445.466 4.323 5 20 IIBD CC/C(C)=C(\C)C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 779728961 YXDNPLYCLVQXLB-PNWHMELDSA-N 437.905 4.147 5 20 IIBD C[C@@H](C(=O)NCc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2)c1ccc([N+](=O)[O-])cc1F 781082605 ZYVVEZBSMMOJRE-CQSZACIVSA-N 443.475 4.405 5 20 IIBD C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1Br)c1nc(Cc2ccccc2)no1 781677560 HRLWWLCNQMOTEJ-LLVKDONJSA-N 432.230 4.249 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)C(C)(C)CC(=O)c1ccc(Cl)cc1 781749010 GIECNPJACSWKQX-UHFFFAOYSA-N 448.859 4.038 5 20 IIBD COCCN(C(=O)C(F)(F)c1ncccc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 781869250 PTKCCFZPGBQQPJ-UHFFFAOYSA-N 448.451 4.193 5 20 IIBD CC1=C(C(=O)Nc2cccc(C)c2)[C@H](c2ccc([N+](=O)[O-])s2)NC(=O)N1CC1CC1 782248204 NVMATBMWVDDBOU-IBGZPJMESA-N 426.498 4.354 5 20 IIBD Cc1cccnc1C(F)(F)C(=O)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 783642834 SHYAELSRPBXIFY-UHFFFAOYSA-N 439.378 4.474 5 20 IIBD O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc2ccccc2n1CC(F)(F)F 787199027 ZGLFTAUXVWKVMQ-GOSISDBHSA-N 447.369 4.074 5 20 IIBD O=C(NCC1([C@@H](O)c2ccccc2)CC1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 787468507 AHAZMCFXILTFTP-QHCPKHFHSA-N 432.476 4.417 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)c1F 790272989 BHQBVDQELIGRPN-UHFFFAOYSA-N 432.404 4.267 5 20 IIBD CCCCn1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c1C(C)C 790421082 JDMWPXBNROWISF-UHFFFAOYSA-N 445.339 4.278 5 20 IIBD Cc1nn(Cc2ccc(C(=O)O[C@@H](c3ccccc3)c3cnn(C)c3)cc2)c(C)c1[N+](=O)[O-] 799638517 ONGPGMJDBHLVRX-QHCPKHFHSA-N 445.479 4.136 5 20 IIBD Cc1cccc(-c2nc(CC(=O)OCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cs2)c1 809648206 FHJQLGGILLOGIE-UHFFFAOYSA-N 436.449 4.363 5 20 IIBD O=Cc1cc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc(C(F)(F)F)c1 810093200 IUPWZOFCGKOOPS-UHFFFAOYSA-N 443.277 4.213 5 20 IIBD O=C(O[C@H]1CCN2CCC[C@@H]2C1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 810846911 JOKPDZIPRBWRIG-SJORKVTESA-N 441.450 4.000 5 20 IIBD CC(C)n1c(S)nnc1C1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 813444689 JFSDNXWITHJYIP-UHFFFAOYSA-N 444.344 4.383 5 20 IIBD O=C(CCCSc1ccc(Cl)cc1)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 852472024 TXGBESAVMMHRLU-UHFFFAOYSA-N 434.901 4.253 5 20 IIBD C[C@H](OC(=O)c1ccccc1C(=O)c1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 900677011 NUGNXONBKVMELU-AWEZNQCLSA-N 436.395 4.149 5 20 IIBD O=C(NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1-c1ncc(-c2ccccc2)o1 916752973 AAJNBBPHRXANOQ-UHFFFAOYSA-N 449.444 4.036 5 20 IIBD CCCNC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 917738731 DDMJCJGHNYJYJX-UHFFFAOYSA-N 440.681 4.403 5 20 IIBD C[C@@H](OC(=O)CCC(=O)c1ccc(F)cc1F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 919534695 SNCXUOACHUJFAZ-SNVBAGLBSA-N 440.786 4.060 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(Nc2ccccc2Cl)CC1 1116341935 AMLXYWSVNJILQB-UHFFFAOYSA-N 432.908 4.162 5 20 IIBD O=C(NC1CC1)[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 1324888084 AIBGOSLWFNEBGV-HNNXBMFYSA-N 443.887 4.171 5 20 IIBD Cc1cc(C)c2c(c1)CCN(c1nnc(-c3cccc([N+](=O)[O-])c3)n1C[C@@H]1CCOC1)C2 1343817659 XBXSNHCVBJZXII-SFHVURJKSA-N 433.512 4.069 5 20 IIBD COc1ccc(NC(=O)N2CCC([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c([N+](=O)[O-])c1 1345083268 FGULRCJRLJOZRH-INIZCTEOSA-N 448.520 4.104 5 20 IIBD CC(C)c1nc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CCC2)co1 1785748465 OVKAGWGUXSKOBO-UHFFFAOYSA-N 438.440 4.361 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])o1)c1cc2cc(F)ccc2s1 1792398558 JHEIVJPYCLYXOG-QDMKHBRRSA-N 443.456 4.107 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2ccccc12)c1ccc(O)c([N+](=O)[O-])c1 1797298242 MHWWGDUZOILODX-REPLKXPHSA-N 445.475 4.019 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc([N+](=O)[O-])c(O)cc2C)n[nH]1 1821344696 YYDLSRBEEQKUCK-GUYCJALGSA-N 443.504 4.074 5 20 IIBD COc1ccc(/C=C2\CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)cc1Br 16387032 VYLMDIPRFPFIGF-XYOKQWHBSA-N 428.242 4.020 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 18026135 CIWHSJQMFXEKMD-UHFFFAOYSA-N 449.847 4.391 5 20 IIBD O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 20677023 CXMNEMYBXBAPKE-UHFFFAOYSA-N 447.163 4.400 5 20 IIBD CN(Cc1ccc2ccccc2c1)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 32498507 FYCVWDREIPIPFA-UHFFFAOYSA-N 433.493 4.300 5 20 IIBD Cc1cc(NCc2cccc(NC(=O)[C@H]3CCCO3)c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 60861567 GLCJGVWOJBYDFY-HXUWFJFHSA-N 433.468 4.090 5 20 IIBD O=C(NC[C@@H](c1cccs1)N1CCCC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 65087070 LVKFCUOTVATDRM-KRWDZBQOSA-N 428.539 4.347 5 20 IIBD O=C(NCc1ccc(Oc2cccnc2)c(F)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 72032942 SYLWUZRJZJDUAP-UHFFFAOYSA-N 436.443 4.451 5 20 IIBD O=C(Nc1ccc(NC(=O)c2cccs2)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 109904423 RRTKSYDZKTZKMZ-UHFFFAOYSA-N 433.449 4.347 5 20 IIBD C[C@@H](CN1CCN(c2ccccc2)CC1)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 237513706 IDZHGESNSWNYCB-SFHVURJKSA-N 437.569 4.019 5 20 IIBD CC(=O)c1ccc(N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)c([N+](=O)[O-])c1 301133352 VHADAGFDKHHMCS-UHFFFAOYSA-N 446.301 4.415 5 20 IIBD Cc1cccc([C@@H]2CCCN2c2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])n1 301715278 MNENBVSDSXWLGM-FQEVSTJZSA-N 438.509 4.441 5 20 IIBD O=C(Cc1cccc(F)c1)N1CCCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 301867188 NMHXNKUVAPOPPI-UHFFFAOYSA-N 434.471 4.077 5 20 IIBD O=C(Nc1cccc(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1)c1ccncc1 425976516 RFCHLMMRICEEBU-UHFFFAOYSA-N 445.479 4.116 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N(Cc1ccc(F)cc1)C1CCOCC1 427732066 TXGWHBHKPJZEGV-UHFFFAOYSA-N 436.867 4.364 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)Nc2ccc(C(=O)N(C)C3CCOCC3)cc2)cc1[N+](=O)[O-] 429165383 SUYKKPAZIPBNLC-MRXNPFEDSA-N 440.500 4.037 5 20 IIBD C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc2N(Cc2ccccc2)C1=O 430812816 FZCBYPSYAVGMNG-GOSISDBHSA-N 429.476 4.353 5 20 IIBD CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 434025975 QKZOUOOJWANSEX-CVEARBPZSA-N 432.571 4.210 5 20 IIBD Cc1ccc(CCNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)cc1 435480903 CAGLYLFJEVGMHJ-UHFFFAOYSA-N 441.534 4.413 5 20 IIBD O=c1c(Cl)c(NC[C@@H]2CCCN2C2CCCCC2)cnn1-c1ccc([N+](=O)[O-])cc1 435586751 YPWSPUMRLPXIMH-SFHVURJKSA-N 431.924 4.003 5 20 IIBD C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 436314400 FAFKLTDNQNBNCJ-MRXNPFEDSA-N 447.485 4.479 5 20 IIBD COC(=O)[C@H]1CC12CCN(C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])CC2 442715700 PNYPZGGXBFUJOW-MRXNPFEDSA-N 426.494 4.161 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC(CCCN2CCCC2)CC1 443828837 OGQDJQSNGYDMAC-UHFFFAOYSA-N 426.464 4.316 5 20 IIBD CCc1[nH]nc(C(=O)Nc2ccc(Cl)c(Cn3c(C)nc4ccccc43)c2)c1[N+](=O)[O-] 444272177 XAXVPOXWOGCMRE-UHFFFAOYSA-N 438.875 4.492 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@@H]2Cc3ccccc3N(C)C2)cc1[N+](=O)[O-])c1ccccn1 444336647 ADANXMCPIAGJAR-ROUUACIJSA-N 445.523 4.201 5 20 IIBD CN(Cc1ccccc1)[C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C1CC1 444345384 UTGIKCNDJQGBCD-RUZDIDTESA-N 425.532 4.322 5 20 IIBD CCCOc1cn(-c2ccccc2)nc1-c1nc(Cc2cc(OC)ccc2[N+](=O)[O-])no1 445572335 RDWVYVINLZNGFR-UHFFFAOYSA-N 435.440 4.219 5 20 IIBD COc1cc(Cc2noc(C(C)(C)Cc3ccccc3OC)n2)c([N+](=O)[O-])c(OC)c1 445815911 QGBLSBSNVDJQDP-UHFFFAOYSA-N 427.457 4.115 5 20 IIBD Cc1cccc(C(=O)N2CCCC2)c1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 446075388 YADDKJGHKSJRMZ-UHFFFAOYSA-N 446.301 4.083 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@H]3[C@H]3CCCO3)n2CCc2ccccc2)c1 460411926 KKWONJHQUZLQQL-FCHUYYIVSA-N 433.512 4.244 5 20 IIBD CCNC(=O)COc1ccc(CNc2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)cc1OC 461782572 ARDMJEVYAACMLG-UHFFFAOYSA-N 441.406 4.058 5 20 IIBD Cc1ccsc1-c1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1C[C@@H]1CCCCO1 461841096 PWLXXLQWLZKDHD-SFHVURJKSA-N 441.557 4.471 5 20 IIBD Cc1ccc([C@@H](Nc2nc3sccn3c2[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 462940395 BEUMACXCVRZEGK-QGZVFWFLSA-N 442.522 4.217 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1OCC(=O)Nc1cccnc1 466243183 GENBJILSKVFRLB-SFHVURJKSA-N 448.479 4.215 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCO[C@@H](c2cccc(Cl)c2)C1 466304571 BDPRHYHUFFJKCB-QGZVFWFLSA-N 439.693 4.153 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1nc(-c2cccc(Cl)c2)cs1 466994097 YAFGKFFGIZYPRO-UHFFFAOYSA-N 431.857 4.324 5 20 IIBD CC(C)[C@H]1C[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c2ccccc21 468732310 GIBGHZDCTQKLKZ-KURKYZTESA-N 427.526 4.262 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])OC(C)C 471574904 QJKYEIUDLTZUOT-VBKZILBWSA-N 436.892 4.307 5 20 IIBD O=C(NC1CC1)c1ccc(N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)c([N+](=O)[O-])c1 473911712 KPFQFZROCJMCGY-INIZCTEOSA-N 449.294 4.011 5 20 IIBD C[C@H](NC(=O)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 474116375 SPDQIPQXZDCIOW-QFYYESIMSA-N 431.798 4.361 5 20 IIBD O=C(N[C@@H]1CC[S@@](=O)C1)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 474945003 RRJNWNCCKQPNOZ-XETJZTBLSA-N 444.456 4.016 5 20 IIBD COc1c(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)cccc1[N+](=O)[O-] 475903276 UWZFTWGPSMUNTC-UHFFFAOYSA-N 435.259 4.137 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 477178609 VBGRANSEULVARI-QGZVFWFLSA-N 428.247 4.324 5 20 IIBD Cc1cc(Br)cc(C)c1CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 478360411 ZKQWPVXUAFEPLW-UHFFFAOYSA-N 429.274 4.090 5 20 IIBD COc1cc(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)[C@@H]2C)cc([N+](=O)[O-])c1C 478840555 SOOGUIHSRODXTN-ORAYPTAESA-N 449.301 4.277 5 20 IIBD COc1cc(C(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cc([N+](=O)[O-])c1C 480591109 HKIXMKHDXYDIOS-JLTOFOAXSA-N 435.883 4.127 5 20 IIBD CCOC(=O)c1csc([C@@H]2CCCN2[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1 484944499 YMCOWGNUPZURFU-WBMJQRKESA-N 443.485 4.176 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCC[C@@H]2c2cccc(N(C)C)c2)c(C)c([N+](=O)[O-])c1 486872092 IJKRXZSRNUNRAH-LJQANCHMSA-N 426.473 4.125 5 20 IIBD CCCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 488729386 UBGQAEDRPZHLGJ-UHFFFAOYSA-N 431.283 4.097 5 20 IIBD CCOc1cc2c(cc1NC(=O)c1ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c1)OCCO2 490656635 KXOZXZSBEBZYGD-OAHLLOKOSA-N 441.484 4.253 5 20 IIBD Cc1cc(N2CCCCCC2)ccc1NC(=O)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 498967901 OEVGCVIBIRIJKB-GOSISDBHSA-N 438.528 4.408 5 20 IIBD O=C(Nc1ccc2nc(C(F)F)sc2c1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 500233261 GQUNXQJDHGUPAS-UHFFFAOYSA-N 446.435 4.272 5 20 IIBD CCNC(=O)COc1ccc(/C=C(/c2ccncc2)c2ccc([N+](=O)[O-])cc2)cc1OC 502202004 BSEFGQOSQJUWAF-KGENOOAVSA-N 433.464 4.102 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1 503401750 DNMHVVDBKDMPQP-UHFFFAOYSA-N 443.525 4.258 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)nn2C(C)(C)C)cc1[N+](=O)[O-] 503960326 KCTXPOQJIYSLGF-UHFFFAOYSA-N 430.486 4.023 5 20 IIBD COc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)s2)cc1 505805278 NULRUFREONAZTL-JTQLQIEISA-N 430.461 4.248 5 20 IIBD COc1ccc(CNC(=O)Nc2ccc(F)cc2OCCC(F)(F)F)cc1[N+](=O)[O-] 505862215 ZIEDVRCLEHTNJZ-UHFFFAOYSA-N 431.342 4.395 5 20 IIBD CN(C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1ccc([N+](=O)[O-])cc1 506614850 MLCNTYHRQWJWDH-AWEZNQCLSA-N 436.295 4.417 5 20 IIBD C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 508342485 LCNVGHVJYUOLDX-FGTMMUONSA-N 425.533 4.013 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCC(Cn4ccnn4)CC3)cc2[N+](=O)[O-])cc1 511170425 PLWJPVVRBXZTQN-UHFFFAOYSA-N 437.525 4.198 5 20 IIBD O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 511824437 JOODDGXWPZRYNR-OAHLLOKOSA-N 432.402 4.099 5 20 IIBD C[C@H](c1ccccc1Cl)N(C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 512054976 BFFPGFBENMLMMV-GFCCVEGCSA-N 433.917 4.191 5 20 IIBD Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 514501850 ZGPSFKHVKBYVHG-LBPRGKRZSA-N 439.440 4.204 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 517364681 NRNNJKJJANGPCY-GOSISDBHSA-N 443.258 4.410 5 20 IIBD COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2C)cc1[N+](=O)[O-] 517869551 KPFCVQVGWDVYGO-UHFFFAOYSA-N 426.494 4.303 5 20 IIBD C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C2CC2)o1 518112296 NPOUHZOLJHOTRG-ABAIWWIYSA-N 449.410 4.042 5 20 IIBD COc1cc(C(=O)N[C@@H](C)C(=O)NC(C)(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 520757370 PNQCWQDSTBPJKT-LBPRGKRZSA-N 449.891 4.082 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1C(=O)N1CCCCC1 521267911 DDZHCJLAAMQPGC-AWEZNQCLSA-N 431.876 4.280 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 522113480 VMQIWULEVHFQSN-UHFFFAOYSA-N 441.246 4.031 5 20 IIBD CCOc1cc(NC(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)c([N+](=O)[O-])cc1OCC 523551745 DQQBWTNFLHTXDG-MRXNPFEDSA-N 431.445 4.204 5 20 IIBD Cc1ccc(-c2ccncc2)cc1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 523576046 OBTYQDTUEZSFQV-UHFFFAOYSA-N 446.492 4.497 5 20 IIBD COc1cc(F)c([C@@H](C)NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 523885119 KACBCZOQNLPJCF-LLVKDONJSA-N 426.828 4.051 5 20 IIBD Cc1ccccc1NC(=O)[C@H]1CCc2ccccc2N1C(=O)COc1ccc([N+](=O)[O-])cc1 524164122 NGKIXPQIHCWMGV-HSZRJFAPSA-N 445.475 4.269 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NC[C@@H](O)C1CCCCC1 524349648 YLFGXZAMGOATJT-HSZRJFAPSA-N 448.523 4.047 5 20 IIBD C[C@@H](c1ccccn1)N(C)C(=O)c1ccc(C(=O)N(C)[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 524352477 FAQZYNVKKHLRBF-DLBZAZTESA-N 447.495 4.051 5 20 IIBD CCOc1cc(NC(=O)c2ccc(CN(C)C(=O)C(C)C)cc2)c([N+](=O)[O-])cc1OCC 525014300 JAHVIHGIAIYISX-UHFFFAOYSA-N 443.500 4.259 5 20 IIBD COc1cc([C@H](C)NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)ccc1OCC(C)C 525559874 OSIHDQCKKAACDB-AWEZNQCLSA-N 432.473 4.146 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3oc4ccc(OC)cc4c3C)CC2)ccc1[N+](=O)[O-] 526024363 GLPQNRUEOXTLQE-UHFFFAOYSA-N 439.468 4.019 5 20 IIBD CC(C)(C)[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1nc(-c2nc[nH]n2)no1 533391970 VYZLJGMBNJYQAF-INIZCTEOSA-N 439.501 4.368 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)NCc1cccc(NC(=O)c2cccc(F)c2)c1 533985866 ZDTYSZDBXMIJOX-UHFFFAOYSA-N 436.443 4.028 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 534048822 XJQJMFOWOOLXLF-FQEVSTJZSA-N 447.438 4.010 5 20 IIBD O=C(c1cc(I)cc([N+](=O)[O-])c1)N(Cc1ccco1)c1ccccn1 534301377 MLLJLVQKUGUDSR-UHFFFAOYSA-N 449.204 4.034 5 20 IIBD CC[C@@H](c1ccccc1)N(CC(=O)OC)C(=O)Cc1ccc([N+](=O)[O-])cc1Br 534888337 KHZXIEQSDYELOG-SFHVURJKSA-N 449.301 4.053 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2c(Cl)cccc21 536487366 AONPLOSWDIMLRQ-QGZVFWFLSA-N 434.901 4.321 5 20 IIBD O=C(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)Nc1ncc(C(F)(F)F)cc1Cl 537555788 LHJRXZJPRRRIHI-UHFFFAOYSA-N 425.754 4.164 5 20 IIBD O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 538244749 VWFHLYPZXUNFAP-NVXWUHKLSA-N 444.793 4.449 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C2=NNC(=O)CC2)cc1 538621875 NCNYKPGVPSZZPR-UHFFFAOYSA-N 426.498 4.353 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N(C)CCC2CCN(c3ccncc3)CC2)cc1[N+](=O)[O-] 538874904 GQGHUDNVGCDJGI-GOSISDBHSA-N 425.533 4.307 5 20 IIBD CCc1ccc([C@H](CO)NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 539989015 CUGUSLLUGNSVMU-AOMKIAJQSA-N 434.496 4.189 5 20 IIBD CCCCN(C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@H]1CCS(=O)(=O)C1 540247838 POEGQQNYGDJFDF-SFHVURJKSA-N 447.513 4.208 5 20 IIBD CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cc([N+](=O)[O-])ccc1SC(C)C 540397068 RFZRDTXVDCDLFG-UHFFFAOYSA-N 437.468 4.474 5 20 IIBD COc1ccccc1-c1ccc([C@H](C)NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 540456179 UAIVTJCEQXWENV-HNNXBMFYSA-N 449.463 4.288 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC([C@H](O)C(F)(F)F)CC2)cc1OC 542914855 OJWLGJVATRFPEJ-DJJJIMSYSA-N 434.455 4.164 5 20 IIBD CN(C)C(=O)c1ccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1Cl 543160208 RBICXIQPEABYTK-UHFFFAOYSA-N 428.297 4.334 5 20 IIBD CCn1c([C@@H]2CCCN2S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)nc2ccccc21 544665305 NNQDUEOIYITUEJ-SFHVURJKSA-N 428.514 4.107 5 20 IIBD Cn1ccc(CCNC(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)n1 544875338 FGAZNDAHODPNLI-VKAVYKQESA-N 447.520 4.228 5 20 IIBD O=C(Nc1cccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1)[C@@H]1Cc2ccccc2O1 546967103 OPCDLUGDTCIZRU-FQEVSTJZSA-N 428.404 4.254 5 20 IIBD COC(=O)CCN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1C 547235043 MIFMVVGBFBXCKZ-UHFFFAOYSA-N 425.466 4.237 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2nc(CN3CCCCCC3)cs2)cc1SC 555214277 BJWJSRUZKHPIHF-UHFFFAOYSA-N 436.559 4.410 5 20 IIBD CCCN(C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCc2ccccc21 556515093 OLFYJLLHMGWXML-GOSISDBHSA-N 446.301 4.222 5 20 IIBD CCOc1ccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc1CO 556631013 SGTPPJOBKHVXMV-HOTGVXAUSA-N 427.501 4.220 5 20 IIBD C[C@H](O)C[C@H]1CCCCCN1C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 557568508 DTYRGQRVQVXCAL-QWHCGFSZSA-N 441.315 4.243 5 20 IIBD COc1cc(C(=O)NC2(Cc3ccc(F)cc3Cl)CCOCC2)cc([N+](=O)[O-])c1C 573037013 ILCUFQDWEYGFGQ-UHFFFAOYSA-N 436.867 4.226 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc2nnc(C3CCC3)n2c1 574931751 ISZLLUSTSMQTKO-UHFFFAOYSA-N 430.262 4.228 5 20 IIBD C[C@H](c1nc(-c2cn3ccc(Br)cc3n2)no1)c1ccc([N+](=O)[O-])cc1F 577990384 MSBMTXYRDAQBTG-VIFPVBQESA-N 432.209 4.346 5 20 IIBD Cc1cccnc1C(C)(C)CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 580265009 ZRPJUZULNSSCAK-UHFFFAOYSA-N 448.310 4.498 5 20 IIBD COc1ccc(CC(=O)Nc2nc(C)c(Cc3ccc(F)cc3F)s2)cc1[N+](=O)[O-] 581226973 UAVPOVORSQLHIW-UHFFFAOYSA-N 433.436 4.419 5 20 IIBD COC(=O)c1cc(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)cc([N+](=O)[O-])c1 601066691 XNLJRCZWEAQPRX-UHFFFAOYSA-N 449.391 4.359 5 20 IIBD C[C@H](CNC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(C)C 603571377 DLZNLRQAXHNUGJ-GFCCVEGCSA-N 427.448 4.445 5 20 IIBD O=C(c1cc(NCc2cccc(OCc3ccccn3)c2)ccc1[N+](=O)[O-])N1CCCC1 603944020 ZIKZUGAMAYDBGZ-UHFFFAOYSA-N 432.480 4.417 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 603983795 YSAWRKGQUKAPCA-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cccnc2Oc2cccc(F)c2)c(Cl)c1 604031803 PCSRWBRQPDDSEV-UHFFFAOYSA-N 437.836 4.053 5 20 IIBD C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CCCc1cc(-c2ccc(F)cc2)no1 608780279 UYPQCAXPDZQBGB-OAHLLOKOSA-N 426.448 4.281 5 20 IIBD Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)cc1 608866409 NFDRXBOJYGYDRA-OAHLLOKOSA-N 430.892 4.231 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C 609186168 BSTUTFQAVPKMOE-GFCCVEGCSA-N 431.493 4.247 5 20 IIBD O=C(NCC(=O)N(C1CC1)[C@H]1CCCc2ccccc21)c1c(Cl)cccc1[N+](=O)[O-] 609494148 GQJNLSQUCQIZMB-SFHVURJKSA-N 427.888 4.047 5 20 IIBD O=C1C[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CN1c1ccccc1Cl 609600604 LBRIPKZMAOKKAR-CQSZACIVSA-N 428.901 4.267 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1 609657983 AZLGQSPTARJUKA-LJAQVGFWSA-N 444.534 4.266 5 20 IIBD CC(C)(C)c1nnc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)s1 609855906 OHPXICCGMXPTSI-UHFFFAOYSA-N 441.300 4.489 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N(Cc1cccnc1)C1CC1 609873901 VINHKYMTAPXFRC-UHFFFAOYSA-N 432.267 4.287 5 20 IIBD COc1ccc([C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2Br)C2CC2)cc1 609962002 RVDNPRHFYHSGCJ-IBGZPJMESA-N 435.274 4.012 5 20 IIBD O=C(NCCCc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1Br 610044445 UDSOIIDHHFDDNF-UHFFFAOYSA-N 442.107 4.482 5 20 IIBD Cc1cc(CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC(C)C)nc(N2CCCCC2)n1 611211311 ZDQPJGTVCQDQBZ-UHFFFAOYSA-N 438.532 4.483 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 611562227 VRQKUIXWZRTZLX-AOMKIAJQSA-N 449.511 4.241 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1F)NCc1cccc(COCc2ccco2)c1 618964956 OGJYRBKZJFEFTO-UHFFFAOYSA-N 430.457 4.452 5 20 IIBD CCCOc1cc(NC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)c([N+](=O)[O-])cc1OCCC 619727622 FMVFVHFMAKCILK-SPLOXXLWSA-N 430.457 4.339 5 20 IIBD O=C(COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])Nc1ccccc1Cc1ccccc1 725936435 CGKPQYQNPFTLEC-UHFFFAOYSA-N 426.375 4.259 5 20 IIBD COc1ccc(CC(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 727885307 CBCNSIZCTNLBTA-SNVBAGLBSA-N 427.240 4.023 5 20 IIBD COc1ccc(CC(=O)O[C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)cc1[N+](=O)[O-] 727888680 VPLJVNQAZLIKHG-KRWDZBQOSA-N 448.475 4.307 5 20 IIBD O=C(OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 727933093 ZSHUUTIEMNLFHE-LSDHHAIUSA-N 435.263 4.138 5 20 IIBD O=C(NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 727950724 UDHZFKKOZWLGQL-MNOVXSKESA-N 449.699 4.164 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCc2ccc(-n3nc(C)cc3C)cc2)cc1SC 728460602 KKKMOLOYGQJJKO-UHFFFAOYSA-N 427.482 4.485 5 20 IIBD O=[N+]([O-])c1ccc(-c2cnn(CN3CCO[C@@H](c4cccc(Br)c4)C3)c2)cc1 728900483 KASGIUZFCFYHDZ-HXUWFJFHSA-N 443.301 4.252 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)OCc2nc(-c3ccsc3)no2)CC1 729471827 QNYQCAXZZIUHSG-UHFFFAOYSA-N 428.470 4.300 5 20 IIBD Cc1nc(CCC(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])oc1-c1ccccc1 730336637 YEMVHFRIKLBFHE-UHFFFAOYSA-N 443.843 4.326 5 20 IIBD O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1cnn(-c2ncccc2Cl)c1C(F)(F)F 730487555 WFUZFEIVDOGALM-UHFFFAOYSA-N 444.728 4.344 5 20 IIBD CC(C)(C)OC(=O)Nc1cc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)ccc1F 730630901 ILWMRMMAZUFKFN-UHFFFAOYSA-N 448.403 4.304 5 20 IIBD CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 730964644 GTONVAGGCUOYKJ-UHFFFAOYSA-N 442.472 4.031 5 20 IIBD CC(C)(C)c1ccc2c(c1)CCN2C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 731984107 URCGIPUEAOAYGP-KRWDZBQOSA-N 427.526 4.148 5 20 IIBD O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1N1CCCCC1 732300370 XGKDQXCRSLPKJE-LJQANCHMSA-N 438.311 4.355 5 20 IIBD Cc1c(C(=O)NCCCO[C@H]2CCCc3ccccc32)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 733761191 LMDGQTJNIZEISK-FQEVSTJZSA-N 427.457 4.334 5 20 IIBD CCc1ccc(OC(=O)[C@H](CCSC)NC(=O)c2ccccc2Cl)c([N+](=O)[O-])c1 734739378 IRYKZBLWPRAPTN-INIZCTEOSA-N 436.917 4.268 5 20 IIBD C[S@](=O)CCNC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2 735052123 INKKPXKIXCSBOG-JSSWAHKUSA-N 449.532 4.128 5 20 IIBD C[C@@H](OC(=O)[C@@H]1CSc2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 735737674 FYSITFUGDQGHOG-ZWNOBZJWSA-N 440.399 4.373 5 20 IIBD C[C@@H](Nc1ccc(O[C@@H]2CCOC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 739999363 KQOOBOFQXXZRJZ-MLGOLLRUSA-N 439.390 4.220 5 20 IIBD COc1ccc(-c2nnc(SCC(=O)OCc3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1 741439431 GCONJDXHTFQCMS-UHFFFAOYSA-N 435.845 4.142 5 20 IIBD Cc1c(C(=O)Oc2ccc(N(C)C(=O)OC(C)(C)C)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 742766170 DRGXLEZRUAMWHM-UHFFFAOYSA-N 431.401 4.402 5 20 IIBD C[C@H](OC(=O)c1cc(F)ccc1[N+](=O)[O-])C(=O)Nc1ccc(OCc2ccccc2)cc1 743197215 IFNGZHZTWGBMCU-HNNXBMFYSA-N 438.411 4.497 5 20 IIBD Cc1cccc(-c2nnc(S)n2CCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 747368216 CCJDRGDLWRGLAS-UHFFFAOYSA-N 439.541 4.278 5 20 IIBD CN(C)c1ccc(N2CCC(NC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)CC2)cc1 747417022 PZDXPVMKCBMWKS-UHFFFAOYSA-N 437.544 4.004 5 20 IIBD CCN1CCN(c2ccc(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)cc2)CC1 747627881 VMTZDBYZUNYBEE-UHFFFAOYSA-N 437.525 4.113 5 20 IIBD CCc1cccc(CC)c1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 748950336 KOOHKONWLXPTDP-CQSZACIVSA-N 443.456 4.429 5 20 IIBD O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cccc(Cl)c1[N+](=O)[O-] 749995026 FTQAPXJVTUYRLD-CQSZACIVSA-N 427.810 4.271 5 20 IIBD O=C(CCCOc1ccccc1F)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 750663403 NUHPYKOXNMRBMM-UHFFFAOYSA-N 437.265 4.240 5 20 IIBD Cc1noc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)n1 751115104 BZXMWCJWZIQFKG-MRXNPFEDSA-N 449.511 4.236 5 20 IIBD Cc1cc(C(=O)NCC(=O)O[C@H](C)c2ncc(-c3ccc(Cl)cc3)o2)ccc1[N+](=O)[O-] 751604455 QLETXHLCCNYKCM-CYBMUJFWSA-N 443.843 4.246 5 20 IIBD O=[N+]([O-])c1ccc2nc(Sc3ccc(CNCCN4CCC4)cc3[N+](=O)[O-])sc2c1 752107816 QZPKLOSFWVQQPH-UHFFFAOYSA-N 445.526 4.059 5 20 IIBD Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])cs1 752552640 GMCJSWLQFVZRSX-UHFFFAOYSA-N 443.456 4.345 5 20 IIBD COCCN(Cc1cc(Br)cs1)C(=S)Nc1ccc([N+](=O)[O-])cc1 754857330 LHSWJQZXGMWJAH-UHFFFAOYSA-N 430.349 4.264 5 20 IIBD O=C(Nc1ccc(CC[C@@H](O)c2ccccc2)cc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 754959757 QZTBCPZGZGYKLB-HSZRJFAPSA-N 443.463 4.094 5 20 IIBD C[C@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1cc(F)ccc1N1CCC(O)CC1 755462353 VQHDKEXSZUNWSS-HNNXBMFYSA-N 443.519 4.484 5 20 IIBD O=C(N[C@H](CO)C[C@@H](O)c1ccccc1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 755609898 FNPZKAFOAXINKB-GHTZIAJQSA-N 444.553 4.092 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCC(c2nc(-c3ccccc3)no2)CC1 757255701 IPFRFCTVDQKCHE-UHFFFAOYSA-N 441.875 4.387 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])c(F)cc1N)c1nc(-c2cccc(C(F)(F)F)c2)no1 758078372 WGWIFSIYOIXISN-MRVPVSSYSA-N 440.309 4.303 5 20 IIBD COc1ccc(SCCC(=O)O[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1OC 759935650 YNKDCPGGTDEKAI-JKSUJKDBSA-N 435.502 4.018 5 20 IIBD CC(C)n1cc(Br)cc1C(=O)O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 759947196 WGZRCOWATCMOJW-HIFRSBDPSA-N 425.283 4.277 5 20 IIBD Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 760072352 QPHGZNVPAWWWCK-KRWDZBQOSA-N 444.923 4.123 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@@H](c2nc(Cc3ccc(Br)cc3)no2)C1 761314231 UQHCVGRHNPXUCJ-MRXNPFEDSA-N 429.230 4.197 5 20 IIBD C[C@@H]1C[C@H](C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCC1=O 761468501 PNBVUSKGAWNHSO-RCDCFZSISA-N 444.871 4.477 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C 761583503 HOGNMNXSYVESIO-HNAYVOBHSA-N 443.500 4.089 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cc2c(cc1Cl)OCCCO2 761886720 QVMQMEXMUQQLQQ-UHFFFAOYSA-N 433.269 4.172 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OCc2ccncc2)cc1 761895636 VOKQYFVGRJPXMI-UHFFFAOYSA-N 433.873 4.331 5 20 IIBD CC(=O)[C@@H](Cc1ccc(F)c(F)c1F)OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 768394034 HSPRBZDCTWXVHS-MEDUHNTESA-N 427.400 4.236 5 20 IIBD O=C(Nc1ccccc1C(=O)NCCc1ccc(O)cc1)c1ccc([N+](=O)[O-])cc1Cl 769365900 NHDVIKGMGWDUQO-UHFFFAOYSA-N 439.855 4.179 5 20 IIBD CN(CCC1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1)C(=O)OC(C)(C)C 769945397 HRHHUHHZTLYQRJ-UHFFFAOYSA-N 445.520 4.114 5 20 IIBD COc1c([N+](=O)[O-])cc(NCc2ccnc(SC)c2)c([N+](=O)[O-])c1Br 771703963 JNULZWVSJGRIBN-UHFFFAOYSA-N 429.252 4.003 5 20 IIBD Cc1ccc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)c(Br)n1 775495584 MGJVSTAEIXLUDE-UHFFFAOYSA-N 433.287 4.461 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)N1CCC[C@H]1c1cccs1 778890418 HMVWVWGTYQGEDP-FZMZJTMJSA-N 440.424 4.167 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 780542542 ZWZAQBHNZYGFFY-PBHICJAKSA-N 437.562 4.472 5 20 IIBD Cc1ccc(CN(C(=O)COC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C2CC2)cc1 781259237 BHOZWOSQJPBLDG-UHFFFAOYSA-N 440.499 4.338 5 20 IIBD COc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)nc1Br 781626086 PICJSTDYZPQIAH-UHFFFAOYSA-N 449.286 4.445 5 20 IIBD Cc1cc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nn1-c1cccc(Cl)c1 781835338 PBGUSVLMEXCEMJ-UHFFFAOYSA-N 429.820 4.222 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 782164313 RIENHTMPWQUMRJ-CQSZACIVSA-N 433.258 4.106 5 20 IIBD CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccc([N+](=O)[O-])s2)NC(=S)N1 782244891 KQXJMHAQSDMNSV-CQSZACIVSA-N 442.444 4.107 5 20 IIBD COC(=O)c1cc(F)cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2-c2cccs2)c1 782405378 QPAUPYNLTMMFLI-UHFFFAOYSA-N 437.426 4.017 5 20 IIBD COc1ccc(-c2noc([C@H](C)OC(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)n2)cc1 782424550 DBALFHVZWPVQSU-AWEZNQCLSA-N 438.440 4.172 5 20 IIBD CC(C)c1ccc(C(=O)OCc2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1[N+](=O)[O-] 784259941 WSZGVFJCTBDWJN-UHFFFAOYSA-N 444.444 4.318 5 20 IIBD CCO[C@H]1C[C@H](OC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C12CCOCC2 786493178 JAOXJSQKKYVUKV-VXKWHMMOSA-N 441.480 4.305 5 20 IIBD Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(C(=O)NCc2ccccc2F)c1 786782608 PLJPWKOSPVQSDF-UHFFFAOYSA-N 442.834 4.152 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 787342018 QQKXBUGXHHTRRW-UHFFFAOYSA-N 438.362 4.396 5 20 IIBD CCOC(=O)C1([C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)CCN(C(=O)OC(C)(C)C)CC1 788639424 BUWBYOCSXHRYTF-IAGOWNOFSA-N 449.548 4.214 5 20 IIBD CC(C)OCc1ccc(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cc1 791172346 NJPQELCBOCBAKO-UHFFFAOYSA-N 433.302 4.481 5 20 IIBD Cc1ccn(-c2ccc(C(=O)N3CCc4c(Br)ccc([N+](=O)[O-])c4C3)cc2)n1 791175088 UVLGKQONJHMAMY-UHFFFAOYSA-N 441.285 4.050 5 20 IIBD O=C(Cc1ccccc1)Nc1ccccc1C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 791586436 BIJKKZUCIDKSJE-UHFFFAOYSA-N 435.392 4.041 5 20 IIBD COc1ccc(NCc2cc(Cl)ccc2[N+](=O)[O-])cc1S(=O)(=O)N1CCCCC1 796390964 CPYQLAXNLRHWOU-UHFFFAOYSA-N 439.921 4.044 5 20 IIBD Cc1cc(NC(=O)c2cccnc2)ccc1OC(=O)CCCNc1ccc([N+](=O)[O-])cc1 799713949 BJCWXXPPHPALQZ-UHFFFAOYSA-N 434.452 4.348 5 20 IIBD O=C(OC[C@H]1CCN(C(=O)c2ccccc2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 801313723 PSGHZFLFZQZIHE-KRWDZBQOSA-N 426.472 4.000 5 20 IIBD COc1cc(C(=O)O[C@H]2CCN(CCF)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 802237102 YNDZWBKEGQHRAN-HNNXBMFYSA-N 438.839 4.250 5 20 IIBD O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1cnn(-c2ccc(C(F)(F)F)cc2)c1 803873131 UQXSEUGFTCDYKI-UHFFFAOYSA-N 432.314 4.298 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cc(F)c(C(F)(F)F)cc1F 805593909 GZDOLKJYGYYQTE-UHFFFAOYSA-N 429.257 4.299 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@H]1CCN(c2cccc(Br)c2)C1 809916931 YXUUIGFYUUWHHU-LBPRGKRZSA-N 439.697 4.411 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN(C(=O)OC(C)(C)C)c2ccccc21 810051925 IEISAMUCKHDHND-UHFFFAOYSA-N 426.473 4.103 5 20 IIBD CCC[C@@H](CCc1ccccc1)NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810370366 VICWHBHTLXNKEV-HNNXBMFYSA-N 448.317 4.214 5 20 IIBD O=C(OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1sccc1S(=O)(=O)C(F)F 811084080 HYIQAKKPLKYVMU-UHFFFAOYSA-N 446.236 4.316 5 20 IIBD CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 812647869 ZNOXVWNULMBMTM-SFHVURJKSA-N 431.832 4.445 5 20 IIBD C[C@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C 813462181 RQDRAJXVQIAGJD-HZMBPMFUSA-N 432.304 4.277 5 20 IIBD O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 813620181 JIAWCITXZBOHNX-QGZVFWFLSA-N 431.370 4.139 5 20 IIBD O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCCc3c(OC(F)F)cccc32)cc1Cl 815097277 WCAVHSLHMODFRS-UHFFFAOYSA-N 436.795 4.130 5 20 IIBD CN(C)c1cc(F)c(C(=O)Nc2ccnn2Cc2cccc3ccccc23)cc1[N+](=O)[O-] 821672125 ZEBLBVDUWXKETR-UHFFFAOYSA-N 433.443 4.450 5 20 IIBD COc1ccccc1NC(=O)[C@H](OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(C)C 877872976 YSOZEPDMUZALMT-IFXJQAMLSA-N 432.498 4.291 5 20 IIBD CCOc1ccc(-c2nc(C)c(C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)s2)cc1 914908885 MINWPJFVGCRWQS-UHFFFAOYSA-N 441.465 4.221 5 20 IIBD Cc1nn(C)c2[nH]c(=O)c(CCC(=O)OCc3nc4ccccc4c4ccccc34)c(C)c12 914935276 AIFMPIJVEWIRLX-UHFFFAOYSA-N 440.503 4.256 5 20 IIBD Cc1cc(C)c(N2C[C@@H](C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)CC2=O)c(C)c1 915283023 AQPRGHMTEDUXRE-AWEZNQCLSA-N 433.411 4.113 5 20 IIBD C[C@H](COc1ccccc1C(F)(F)F)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 919868586 UYMOTGCRGDIGMY-CQSZACIVSA-N 437.418 4.411 5 20 IIBD CC(C)N(Cc1ccc(Br)cc1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 919931088 GEWMODVOJLSKOW-UHFFFAOYSA-N 431.283 4.096 5 20 IIBD O=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 920020731 JKDUXYDJWOWAFG-UHFFFAOYSA-N 448.957 4.325 5 20 IIBD COC(=O)c1cc(COC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)oc1C 920119650 ZXZQWHUQGHVGLM-ZDUSSCGKSA-N 439.424 4.208 5 20 IIBD O=C(NCC1(c2ccc(Cl)cc2)CCCC1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 920206063 XJFTWCJBNJBEFR-UHFFFAOYSA-N 436.295 4.468 5 20 IIBD Cc1cc(C(=O)OCC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)cc([N+](=O)[O-])c1 920904488 GOJOULZSILMWJT-QHCPKHFHSA-N 436.439 4.447 5 20 IIBD CCC(=O)NC1CCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 1124079893 SLBQDGVPDFOZBN-UHFFFAOYSA-N 427.526 4.185 5 20 IIBD CC(C)n1cc2c(n1)[C@@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CCC2 1325540321 SAHODYBHVMFOOF-INIZCTEOSA-N 439.438 4.387 5 20 IIBD Cc1ccc(-c2nnc(N(C)CCc3ccccc3[N+](=O)[O-])n2C[C@H]2CCOC2)c(C)c1 1343813307 AVCNTERGSSXKPS-LJQANCHMSA-N 435.528 4.186 5 20 IIBD CC1CCN(c2ccc(C(=O)OCc3ccc(Br)cn3)cc2[N+](=O)[O-])CC1 1343994422 RTYKLCVQEARUHG-UHFFFAOYSA-N 434.290 4.346 5 20 IIBD CC[C@H](C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1)N(CC)CC 1785748795 RUJOMEUEERZUDG-GOSISDBHSA-N 442.516 4.056 5 20 IIBD C/C=C(\C)C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])c4c3OCO4)CCC2)cc1 1791220317 FWIFXCNXZWJDBQ-LZWSPWQCSA-N 437.452 4.037 5 20 IIBD Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H]2CCC[C@H]2C)cc(Cl)cc1[N+](=O)[O-] 1797922593 OKMCEKVEDVIQDG-CUWKQTPXSA-N 433.936 4.245 5 20 IIBD C[C@@H]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1824276262 FUPHVONXPBSSIC-KFTXNAAESA-N 443.544 4.257 5 20 IIBD C/C=C/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1831367138 GOCNJYNHHMDJBD-PIZZWMRYSA-N 437.540 4.360 5 20 IIBD Cc1ccc(C)c(C(=O)CCC(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 8852768 GWWFSAAGDWMLMR-AWEZNQCLSA-N 432.860 4.398 5 20 IIBD NC(=O)CCN(Cc1ccccc1)C(=O)COC(=O)c1c2ccccc2cc2ccccc12 10941571 GOAJCNXEFOVHLK-UHFFFAOYSA-N 440.499 4.054 5 20 IIBD C[C@H](OC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 11493605 LMHVXQMNZFTJDF-JTQLQIEISA-N 449.250 4.476 5 20 IIBD C[C@@H](OC(=O)CCc1ncc(-c2ccccc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 11942437 AMRJHZODWCROBB-CYBMUJFWSA-N 443.843 4.406 5 20 IIBD Cc1noc(C)c1C(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 21637093 NVKYIBZIUXNEML-SFHVURJKSA-N 429.816 4.390 5 20 IIBD O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl 36796242 DLIFAHHWYQCTEI-UHFFFAOYSA-N 443.916 4.496 5 20 IIBD O=C(NC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1)c1ccccc1 46879398 FHCGJDQWUPAPSW-UHFFFAOYSA-N 445.475 4.422 5 20 IIBD COc1cc(C(=O)NCc2ccc(CN3C[C@H](C)C[C@@H](C)C3)cc2)c([N+](=O)[O-])cc1OC 59410396 DHVRWBCIIDSKBL-IAGOWNOFSA-N 441.528 4.020 5 20 IIBD CN(C(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)c1ccc([N+](=O)[O-])cc1 60848118 KPDCCUFZMJJGOX-UHFFFAOYSA-N 435.823 4.325 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)Nc2nc3c(F)c(F)c(F)cc3s2)cc1[N+](=O)[O-] 60934506 MXZQWHJTZINUOD-UHFFFAOYSA-N 437.808 4.384 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 109918154 COTOXIPMKIITJX-AWEZNQCLSA-N 445.522 4.257 5 20 IIBD CCCCCCNC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 216359768 TYQDHXDXIRTCNF-QGZVFWFLSA-N 444.557 4.267 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@H](c3ccccc3)[C@@H](C)C(=O)O)cc2[N+](=O)[O-])CC1 236670940 INHPAMDRNMJJIA-IERDGZPVSA-N 425.485 4.023 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1N1CCc2c(ncn2CCc2ccccc2)C1 302020648 HYBLBXLUNSGHQT-UHFFFAOYSA-N 427.302 4.359 5 20 IIBD C[C@](CO)(CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])Cc1ccccc1 427443168 KFLLBSBLYMSILI-RUZDIDTESA-N 434.492 4.145 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CNc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 429787642 XCYIXVCPOAKKFS-UHFFFAOYSA-N 427.482 4.041 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cc1SC 430626715 MBMKAFJZDHWPQQ-DOTOQJQBSA-N 429.542 4.108 5 20 IIBD C[C@H]1CN(Cc2ccccc2NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 432680622 SJODFOPNMWIAPP-CALCHBBNSA-N 426.517 4.261 5 20 IIBD CN(Cc1ccccc1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435505518 OYZBXELIAYFEPA-UHFFFAOYSA-N 427.507 4.405 5 20 IIBD O=C(c1ccc(N[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)c([N+](=O)[O-])c1)N1CCOCC1 435583932 JEULLUCOFSXAPE-SAABIXHNSA-N 449.429 4.444 5 20 IIBD CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccc([N+](=O)[O-])cc1O 436859790 LRQALHQROQLYOA-UHFFFAOYSA-N 426.256 4.098 5 20 IIBD CCNC(=O)c1cc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])nc2ccccc12 439249677 RWUSYIYIRYQMCD-UHFFFAOYSA-N 441.447 4.207 5 20 IIBD COc1ccc(NC(C)=O)cc1N(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(C)C 441585512 BQJBWZWHSNCACX-UHFFFAOYSA-N 449.891 4.426 5 20 IIBD COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 443867430 JEBYIBYAPOAWGT-QGZVFWFLSA-N 438.402 4.444 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccc(Nc4ncccn4)cc3)cc2)c(C)c1[N+](=O)[O-] 444419030 MPOJEDNXSXEAAF-UHFFFAOYSA-N 443.467 4.242 5 20 IIBD O=C(Cn1c(C2CCCCC2)nc2ccccc21)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444645921 RADDLONESULHHD-UHFFFAOYSA-N 432.484 4.185 5 20 IIBD CC[C@@H](Cc1ccccc1Br)NC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 445214979 MTAPUAMEDMJXQC-ZDUSSCGKSA-N 446.305 4.054 5 20 IIBD C[C@@H](NC/C=C/c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1OCCCO 463029035 QABOFVTVQHSSPI-NFBGWVBBSA-N 435.318 4.483 5 20 IIBD Cc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c2cccc(S(C)(=O)=O)c2)cc1 464364717 IXZOFOOJGAVXRY-JOCHJYFZSA-N 438.505 4.135 5 20 IIBD O=C1CC2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccc(Cl)cc3)CC2)CN1 465354206 BFJGLIWBRGATIB-UHFFFAOYSA-N 445.928 4.142 5 20 IIBD Cc1sc(S(=O)(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)cc1[N+](=O)[O-] 466956297 SWSLEVRZIZSYLD-UHFFFAOYSA-N 437.543 4.170 5 20 IIBD CCc1cccc(Cc2cnc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(OC)c3)s2)c1 469075836 QRNVTVPOSSPZQJ-UHFFFAOYSA-N 433.511 4.014 5 20 IIBD Cc1ccccc1-c1cc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)n(C)n1 470198456 RWQYFZLPXSXOEW-UHFFFAOYSA-N 444.495 4.418 5 20 IIBD CCO[C@@H](CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1)C(C)C 471172602 KTIREZFNOBSLEO-FQEVSTJZSA-N 449.529 4.094 5 20 IIBD NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 471406023 IQKMHKIPOFBMQJ-CRFBAAHOSA-N 445.928 4.125 5 20 IIBD C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 474658509 ROYBUCNSACNWAW-FCJAZMSBSA-N 444.431 4.107 5 20 IIBD CCOC(=O)[C@H](NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)[C@H]1CCCOC1 475140776 SUMXFBCPHJPIHK-HRAATJIYSA-N 448.903 4.488 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCOc1ncc(Cl)cc1Cl 475402524 FBUQLJINMQBQBW-UHFFFAOYSA-N 442.302 4.052 5 20 IIBD C[C@@H]1CCCN(c2nnc(SCc3ccc([N+](=O)[O-])cc3F)n2Cc2ccco2)C1 476467966 QDSOPVZQNSYZQB-CQSZACIVSA-N 431.493 4.495 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3F)cc2)cc1 477493149 PVADLQZANDJODA-UHFFFAOYSA-N 443.456 4.024 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCC(c2ccc(Cl)cc2)CC1 477812467 GHJVPNKPIZTVGS-UHFFFAOYSA-N 443.887 4.343 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 478425275 HMRQCSIHOZZNKO-SZNDQCEHSA-N 432.860 4.061 5 20 IIBD Cc1c(Br)cccc1CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 479874077 NZUDFADGWHVDPS-UHFFFAOYSA-N 433.302 4.278 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1nc2ccccc2n1CCc1ccccn1 480367038 WANDTFHKRYCIHR-UHFFFAOYSA-N 433.493 4.313 5 20 IIBD COC(=O)c1csc(-c2cccc(CNC(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)c2)n1 484504616 UTUBUCRLZCBUCJ-UHFFFAOYSA-N 440.481 4.443 5 20 IIBD CC(C)Oc1ccc(C(=O)O)cc1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 485707546 GGSMBNGCYOLLTI-UHFFFAOYSA-N 427.438 4.456 5 20 IIBD C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 486104787 KTMFWNKBJVWFNR-GFCCVEGCSA-N 436.295 4.211 5 20 IIBD CC(C)(C)NC(=O)c1ccc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 486646662 SKWNWQCMKWWEDR-UHFFFAOYSA-N 438.406 4.464 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@@H](c2ccc(OC)cc2)C(F)(F)F)c(C)c([N+](=O)[O-])c1 486874543 XQLZGNFXUIPROY-INIZCTEOSA-N 441.362 4.124 5 20 IIBD Cc1nc(NC(=O)COc2ccccc2[N+](=O)[O-])sc1Cc1ccc(F)c(F)c1F 487617479 ALPTZQOIEKHLDK-UHFFFAOYSA-N 437.399 4.385 5 20 IIBD C[C@H](NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1nnnn1-c1ccccc1 487716940 GFEHGMHSPBFWHO-HNNXBMFYSA-N 446.492 4.213 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](c2nc3c(s2)CCCC3)C1 490016706 LSCBGNMSJVSPOP-INIZCTEOSA-N 428.558 4.447 5 20 IIBD CS(=O)(=O)c1cccc([C@@H](NCCc2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2F)c1 491019287 KKACWHOAONLETG-JOCHJYFZSA-N 446.475 4.198 5 20 IIBD O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc([N+](=O)[O-])c2cccnc12 498179947 VFYDGULQMJZGBA-UHFFFAOYSA-N 434.433 4.290 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)F)cc1[N+](=O)[O-] 498963481 PKHPYUOHPQSLIU-NSHDSACASA-N 441.818 4.016 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1nnc2ccc(C(F)(F)F)cn12 502536594 ALKDKBNPBPTSCG-UHFFFAOYSA-N 439.419 4.088 5 20 IIBD C[C@@H](NC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc(Oc2cccnc2)cc1 503551441 MPNMXEAYSZSTHW-CQSZACIVSA-N 432.440 4.219 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@H](Cc2ccccc2)N(C)C)cc1[N+](=O)[O-])c1ccccn1 506046114 QOQSRWVAZOCQMY-RXVVDRJESA-N 447.539 4.066 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2nc[nH]n2)ccc1Br 507922271 SISKOMGHKFGRGQ-UHFFFAOYSA-N 434.275 4.187 5 20 IIBD Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1cc([N+](=O)[O-])n[nH]1 508437731 RAXOPSHEOHZMQY-UHFFFAOYSA-N 433.346 4.150 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1 509126643 BFPWMLNAFIKNMB-UHFFFAOYSA-N 427.501 4.435 5 20 IIBD COc1c(F)cc(S(=O)(=O)Nc2cc(-c3cncc(F)c3)ccc2C)cc1[N+](=O)[O-] 509391211 YLMGLTGYIGUTIJ-UHFFFAOYSA-N 435.408 4.053 5 20 IIBD CC(C)N(Cc1cccnc1)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 509421914 QIXOFPAZPWINLU-UHFFFAOYSA-N 425.411 4.041 5 20 IIBD CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(I)c1C)c1nc(C)cs1 509523595 CAYJGDZJEGZTBX-CYBMUJFWSA-N 445.282 4.154 5 20 IIBD CCc1noc(-c2ccc(CCNC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)cc2)n1 509674495 ZASULPIYFBBWKR-UHFFFAOYSA-N 437.500 4.370 5 20 IIBD CCCCOc1ccc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1OCC 509840777 VPKZMCNEZNHKNW-UHFFFAOYSA-N 447.557 4.192 5 20 IIBD COc1ccc(CN(C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1OC(F)F 510831308 DLJYOIFGSJJXAY-UHFFFAOYSA-N 447.341 4.470 5 20 IIBD COc1cc(C(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)ccc1[N+](=O)[O-] 511160844 PLJAEPCLKYXGBF-UHFFFAOYSA-N 427.360 4.407 5 20 IIBD COc1ccc(Cl)cc1-c1nc(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)n[nH]1 514903493 ORFZXUXTTWSHGK-UHFFFAOYSA-N 444.860 4.384 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc([C@H](c3ccc(Cl)cc3Cl)N3CCOCC3)n2)cc1 515091661 NKUYQNAPUMODEJ-KRWDZBQOSA-N 435.267 4.373 5 20 IIBD COc1ccc(CNC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])cc1OC 517990300 VDODPWJJFPWYRU-MRXNPFEDSA-N 436.464 4.363 5 20 IIBD CC(C)[C@H](NC(=O)c1ccccc1)c1noc(CCOc2ccc(Cl)cc2[N+](=O)[O-])n1 518835131 COIUXHLDGDPJSJ-IBGZPJMESA-N 444.875 4.380 5 20 IIBD CCOC(=O)c1sc(N(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C2CC2)nc1C 518868149 REIMFBDVCKWPFS-LBPRGKRZSA-N 435.527 4.213 5 20 IIBD O=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)c1cc2ccccc2c2cccnc12 519097688 KCIFVVZXMLNXRM-XMMPIXPASA-N 429.495 4.330 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N(C)CCCc3nc4ccccc4[nH]3)cc2)c(C)c1[N+](=O)[O-] 520333080 CUKZTWYDBSNUDW-UHFFFAOYSA-N 446.511 4.038 5 20 IIBD COCCN([C@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 521772271 ONBPQOFYJTWUPM-CYBMUJFWSA-N 432.420 4.012 5 20 IIBD CN1C(=O)CC[C@H](C(=O)N2CCc3c2cccc3[N+](=O)[O-])[C@H]1c1ccc(C(F)(F)F)cc1 523164394 WTTBQSVAWXUCBX-OXJNMPFZSA-N 447.413 4.112 5 20 IIBD C[C@H](C(=O)Nc1cccc(Nc2ccc(Br)cc2[N+](=O)[O-])c1)n1cccn1 524264911 HYUQIVFLBCFTSE-GFCCVEGCSA-N 430.262 4.497 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCC1(c2cccc(Br)c2)CC1 524508955 ZXJDPVGWQJUGIC-UHFFFAOYSA-N 428.286 4.160 5 20 IIBD CC(C)(C(=O)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1)n1cc([N+](=O)[O-])cn1 525102365 OZNNVCAATOCRIZ-UHFFFAOYSA-N 441.315 4.151 5 20 IIBD C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1cc(I)cc([N+](=O)[O-])c1 536553050 YSKXVOSEXXZAND-DOMZBBRYSA-N 436.249 4.218 5 20 IIBD CCc1nc2ccccc2n1C1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 536741871 DXVGDSDQWNSYDT-UHFFFAOYSA-N 441.919 4.436 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccc(C)o1)N1CCOCC1 538494062 XDGQSWPSUAFXHC-IBGZPJMESA-N 447.557 4.192 5 20 IIBD COc1ccc2cc(CN(C)C(=O)Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)ccc2c1 538656486 AXXWUDOUZGCWTK-UHFFFAOYSA-N 430.464 4.279 5 20 IIBD O=C(N[C@H](CO)CC(F)(F)F)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 538883838 KSZXRSGDWPMYHI-NSHDSACASA-N 434.823 4.443 5 20 IIBD Cc1cc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])nn1-c1ccccc1 538941006 ROBYZLDMIRXVCJ-UHFFFAOYSA-N 427.269 4.197 5 20 IIBD Cc1nc(-c2ccccc2)sc1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 541278651 ODGQPGVBATYQGS-UHFFFAOYSA-N 438.465 4.354 5 20 IIBD CN(c1ccccc1)c1ccc(CN2CCC(OC[C@H]3CCOC3)CC2)cc1[N+](=O)[O-] 541558709 PCUIBJFEXPNCJG-FQEVSTJZSA-N 425.529 4.380 5 20 IIBD CC(C)S(=O)(=O)Cc1ccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1 544051878 NNQZHPNPWKCGQM-UHFFFAOYSA-N 442.946 4.302 5 20 IIBD CC(C)(C(=O)Nc1ccc(CCN2CCSCC2)cc1)c1ccc([N+](=O)[O-])cc1F 545122398 LZRLYLPBDUQNIJ-UHFFFAOYSA-N 431.533 4.242 5 20 IIBD COc1cc(-c2nc(-c3ccc(COCC(F)(F)F)cc3)no2)cc([N+](=O)[O-])c1OC 546308747 NASZFHINTCHTCI-UHFFFAOYSA-N 439.346 4.408 5 20 IIBD Cc1ccc(-c2noc(-c3ccc(OC(F)F)c([N+](=O)[O-])c3)n2)c(N2CCOCC2)c1 546472008 KGPYJEIPVNWMSG-UHFFFAOYSA-N 432.383 4.058 5 20 IIBD O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CCC(c2ccsc2)CC1 548274138 BOUPGUVPMALCKT-UHFFFAOYSA-N 442.278 4.281 5 20 IIBD CCCCOC1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@H]2CCCCO2)CC1 550065681 AJQFZZQDDNJTDA-OAQYLSRUSA-N 443.548 4.208 5 20 IIBD CC(C)(C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccccc1[N+](=O)[O-] 550281557 JBHNXRRNTROMQK-UHFFFAOYSA-N 429.432 4.312 5 20 IIBD Cc1nc(CC(C)C)c(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)s1 551037558 SPDIDNHWIZZJDG-UHFFFAOYSA-N 434.337 4.122 5 20 IIBD COc1ccc([C@H](CN[C@@H](c2ccc([N+](=O)[O-])cc2)c2nccn2C)N2CCCCC2)cc1 552034183 IUGNESWLFUGNRM-ZEQRLZLVSA-N 449.555 4.243 5 20 IIBD Cn1ccnc1[C@@H](NCc1ccncc1OCc1ccccc1)c1cccc([N+](=O)[O-])c1 552088836 TVFUFFZMTWCVEB-QHCPKHFHSA-N 429.480 4.182 5 20 IIBD COc1ccccc1CN(C[C@H]1CCCO1)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 553597972 NVECTRQBFYCCDO-HXUWFJFHSA-N 447.491 4.487 5 20 IIBD O=C(c1ccc(N2Cc3ccccc3[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1)N1CCOCC1 555124492 PQVIYCIDXFQVJG-HSZRJFAPSA-N 443.503 4.219 5 20 IIBD CNC(=O)c1cc(Oc2cc(NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)ccc2C)ccn1 560307369 QVHYXNOBQJTWCT-UHFFFAOYSA-N 445.435 4.184 5 20 IIBD C[C@H](CCOCc1ccccc1)Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl 561694854 DCEVKIJHTHCLSR-OAHLLOKOSA-N 428.876 4.201 5 20 IIBD CN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(C(F)(F)F)c1 563568076 FPUVJQJLFGJRCS-UHFFFAOYSA-N 429.782 4.050 5 20 IIBD COc1cc(-c2noc([C@H](C)c3cccc([N+](=O)[O-])c3)n2)ccc1OC[C@H]1CCCO1 575364614 ZEKYQVTYZXWUKL-RDTXWAMCSA-N 425.441 4.363 5 20 IIBD Cn1cc(CNc2ccc3nccnc3c2Br)c(-c2ccc([N+](=O)[O-])cc2)n1 581456256 XVHCYXAXCPFSJF-UHFFFAOYSA-N 439.273 4.313 5 20 IIBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cnn(-c2ccc(C(F)(F)F)cc2)c1 584134551 RLVXLYSPRDUCBG-UHFFFAOYSA-N 448.357 4.213 5 20 IIBD Cc1cc(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])nn1C1CCCCC1 589558975 WCPRZOJIJNVDAH-UHFFFAOYSA-N 443.323 4.168 5 20 IIBD O=C(N[C@H]1CC[C@@](O)(C(F)(F)F)C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 590433819 SYCZDMUVBZKPKR-SGTLLEGYSA-N 426.416 4.322 5 20 IIBD CN1CCCN(C(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)CC1 598916087 OUYHWFVFLPESTK-SDXDJHTJSA-N 436.537 4.299 5 20 IIBD CCOC(=O)c1csc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n1 600844284 PIVXUCWIIFONTN-UHFFFAOYSA-N 426.454 4.092 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC[C@@H](c1ccco1)N1CCCC1 600879413 IAVYABGEXFPROG-HNNXBMFYSA-N 443.447 4.252 5 20 IIBD CC(C)c1ccc(-n2cnnc2SCC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1 603575855 XMACEYSWCPNDHY-UHFFFAOYSA-N 425.514 4.050 5 20 IIBD Cc1nc(-c2ncccn2)sc1C(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 603953001 SDZUUZRKMWZOJQ-UHFFFAOYSA-N 445.460 4.300 5 20 IIBD C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 603967050 WIDYJSXELDYNNB-FGTMMUONSA-N 439.512 4.254 5 20 IIBD Cc1ccccc1CN1CCCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 604446247 IXLLERNFCKQXHE-QGZVFWFLSA-N 431.920 4.058 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 608802797 TZUJCRGMTMGTPR-GOSISDBHSA-N 431.876 4.117 5 20 IIBD CS(=O)(=O)c1cc(C(=O)Nc2cccc(CCCc3ccccc3)c2)cc([N+](=O)[O-])c1 608850307 MSGXTIFKBJYEPK-UHFFFAOYSA-N 438.505 4.426 5 20 IIBD COC(=O)c1ccoc1COc1cccc2c1N(C(=O)c1ccccc1[N+](=O)[O-])CCC2 608947774 XSYDJIHBCUQFCP-UHFFFAOYSA-N 436.420 4.146 5 20 IIBD CC(=O)N1CCCCC[C@@H]1C1CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 609464730 UDJXFQATEZYPSU-HRAATJIYSA-N 441.532 4.209 5 20 IIBD O=C(NCC(=O)N1CCC[C@H]1c1cccc2ccccc12)c1c(Cl)cccc1[N+](=O)[O-] 609494069 WOOPBPLHSFOQNG-IBGZPJMESA-N 437.883 4.495 5 20 IIBD COc1cccc(Oc2ccc(CNC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)cn2)c1 609784505 WUDWJPAOKZIYFN-UHFFFAOYSA-N 427.844 4.303 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@@H](Cc1ccccc1)c1ccccc1F 610149440 LFTQGPVLJHCBDH-FQEVSTJZSA-N 441.846 4.426 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCOC[C@H]1c1c(C)nn(-c2ccccc2)c1C 611530191 HLZKXPCLHDSBLT-NRFANRHFSA-N 435.484 4.311 5 20 IIBD CC(C)(C)C[C@H](NC(=O)COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])c1ccc(F)cc1 725934353 CRRAICRERQYGCG-KRWDZBQOSA-N 438.402 4.463 5 20 IIBD CCCC[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)Nc1cc(C)on1 725986046 RTGIFIVVITXTBQ-AWEZNQCLSA-N 440.250 4.008 5 20 IIBD O=C(OCc1c(F)cccc1[N+](=O)[O-])c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 728999434 RDAVUMYMYMDFNL-UHFFFAOYSA-N 426.322 4.237 5 20 IIBD CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)OCc1cc([N+](=O)[O-])ccc1OC)O[C@@H](C)C2 730651070 LGWHHHQKEKJIJV-IXDGSTSKSA-N 427.453 4.172 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cc3c(nc2O)CCCCC3)cc1)c1cccc([N+](=O)[O-])c1 737469192 IWFNEZRIFCBHGZ-UHFFFAOYSA-N 447.447 4.436 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@@H](O)c3ccccc3Cl)cc2[N+](=O)[O-])C1 740930170 LXGHNJNIOPCLPQ-LRAJWGHMSA-N 431.920 4.194 5 20 IIBD COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccc(N)c([N+](=O)[O-])c1)CCO2 742087171 GHQFJPLOBABRFS-OAQYLSRUSA-N 433.464 4.352 5 20 IIBD C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 742615933 ZBMGWMKTTCOGFR-OLZOCXBDSA-N 445.438 4.379 5 20 IIBD Cn1ccnc1COc1ccc(COC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 746839027 FWEYUPXKWRBRIB-UHFFFAOYSA-N 435.358 4.283 5 20 IIBD O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1cc([N+](=O)[O-])c(Br)cc1F 751690222 HNUHVIGGNSGUEV-UHFFFAOYSA-N 433.573 4.415 5 20 IIBD COc1cccc(C(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)n1 752164484 MVKHMKGGTVIGQG-UHFFFAOYSA-N 427.800 4.123 5 20 IIBD COC(=O)C[C@@H]1CN(C(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)CCO1 752745530 BGFZQFGYGQYBEA-HXUWFJFHSA-N 443.499 4.337 5 20 IIBD Cc1ccc2nc([C@H]3CCCN(C(=O)c4cc([N+](=O)[O-])ccc4N4CCCC4)C3)[nH]c2c1 752854527 ISBYIFVOWNAVFZ-KRWDZBQOSA-N 433.512 4.400 5 20 IIBD O=C(NCCc1ccc(F)c(F)c1F)c1cc(Br)cc([N+](=O)[O-])c1Cl 752989867 RWSONAHKJYAIRQ-UHFFFAOYSA-N 437.599 4.401 5 20 IIBD Cc1nc2ccccc2n1CCCNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 755023262 DQXRJJPGBOBSTK-UHFFFAOYSA-N 432.278 4.227 5 20 IIBD CCN(CC)C(=O)CCC(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1OCc1ccccc1 755122835 PWULTSDCGBZFFF-UHFFFAOYSA-N 433.892 4.414 5 20 IIBD O=C(COC(=O)CCC(=O)c1cc(Cl)sc1Cl)Nc1ccc(F)c([N+](=O)[O-])c1 756616340 KUOPXPODYGDDFS-UHFFFAOYSA-N 449.243 4.247 5 20 IIBD Cc1cc(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c2cnn(Cc3cccs3)c2n1 756993890 KPKFLKUWMLBIOK-UHFFFAOYSA-N 441.900 4.341 5 20 IIBD COc1coc(COC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1=O 757906445 HEYBBVYBWZQGET-UHFFFAOYSA-N 427.434 4.373 5 20 IIBD Cc1c(C(=O)NC2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 760888397 TYGWISGANNNOAQ-HUUCEWRRSA-N 440.500 4.006 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(-c3nc(-c4ccc(-n5ccnc5)nc4)no3)cc2[N+](=O)[O-])C1 761469426 BQVRUQXQHHBNLC-HZPDHXFCSA-N 445.483 4.375 5 20 IIBD COc1ccccc1[C@H](CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C 761583497 HOGNMNXSYVESIO-BEFAXECRSA-N 443.500 4.089 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 761890929 DDOHXKIIULOWAW-INIZCTEOSA-N 436.877 4.085 5 20 IIBD O=[N+]([O-])c1ccc(I)c(-c2nc([C@H]3CCOc4ccccc43)no2)c1 762056675 FRNAKMGXTOWAFC-LBPRGKRZSA-N 449.204 4.164 5 20 IIBD CN1CCC(N(C)c2ccc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)cc2)CC1 762439967 PKWDBPKTFRKBHW-UHFFFAOYSA-N 428.508 4.181 5 20 IIBD Cc1cc(N2CCCC2)ccc1NC(=O)COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F 762978052 BKXHWYAGTPESGX-UHFFFAOYSA-N 443.475 4.102 5 20 IIBD O=C(Oc1ccc(C(=O)N2CCc3sccc3C2)cc1)c1cc(F)c([N+](=O)[O-])cc1F 763463875 NIXLTPONGSIDRZ-UHFFFAOYSA-N 444.415 4.352 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ncc(Br)s2)cc1)c1cccc([N+](=O)[O-])c1 765207607 XTXGJMPNGSPCLC-UHFFFAOYSA-N 448.254 4.285 5 20 IIBD COc1cccc(C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c1[N+](=O)[O-] 766665138 VEMZSJDHIOVCGS-UHFFFAOYSA-N 427.457 4.149 5 20 IIBD COc1cc(COC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)c([N+](=O)[O-])cc1OC(F)F 766765438 BZUHMLHAUYIHEC-WDEREUQCSA-N 447.312 4.469 5 20 IIBD C[C@H](OC(=O)[C@@H](C)c1ccc(Br)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 767002988 ZOWYVWFALAYDHA-QWRGUYRKSA-N 439.237 4.170 5 20 IIBD C[C@@H](OC(=O)c1cc(-c2ccc3c(c2)CCO3)no1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 771440118 USAKZSMKIFKKEY-GFCCVEGCSA-N 448.391 4.153 5 20 IIBD Cc1ccc(S(=O)(=O)CCCOC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 774935864 TWZAANQDDONDGA-UHFFFAOYSA-N 446.506 4.048 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2nnc(Cc3ccc4ccccc4c3)o2)ccc1Cl 775097340 ZFOCYKQIIGPVGS-UHFFFAOYSA-N 444.856 4.176 5 20 IIBD O=C(COC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)Nc1ncc(Cl)cc1Cl 781258229 AORXGWCJSFKCFX-UHFFFAOYSA-N 442.258 4.179 5 20 IIBD C[C@@H](c1ccc(F)cc1)N(C)C(=O)COC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 781266873 BSBBAXSXBWJTIC-HNNXBMFYSA-N 432.451 4.197 5 20 IIBD O=C(Nc1c(-c2cccs2)nc2ccccn12)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781641411 RBWVZQCIEMFMCU-INIZCTEOSA-N 433.449 4.103 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1[N+](=O)[O-] 782814503 JHUOBJAXNQJWHU-LIRRHRJNSA-N 429.473 4.444 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 784183286 AWFIATXWECSQOO-SESVDKBCSA-N 436.512 4.264 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cc(-c2ccncc2)nc2ccccc12 785417709 IZOLVCKLCOBYHE-UHFFFAOYSA-N 443.415 4.429 5 20 IIBD CC1(C)C[C@@H](OC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 785905864 MCGYHMOCTIBFDY-NRFANRHFSA-N 435.480 4.491 5 20 IIBD O=[N+]([O-])c1cncc(Br)c1N1CCC(COc2ccc(Cl)nc2)CC1 788558101 APCVJGQTXQLPOM-UHFFFAOYSA-N 427.686 4.096 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1cnc(Br)c(Cl)c1 790876103 NHFKSNDZGANBCV-UHFFFAOYSA-N 435.459 4.421 5 20 IIBD COCCN(Cc1cc(Br)cs1)C(=O)c1cc([N+](=O)[O-])cc(C)c1F 791034574 LDPLSVMDHFHMAD-UHFFFAOYSA-N 431.283 4.155 5 20 IIBD O=C(NC[C@@H]1CCCN(c2nc3ccc([N+](=O)[O-])cc3s2)C1)OCc1ccccc1 795242053 KRWGMAPNJJUVPW-INIZCTEOSA-N 426.498 4.347 5 20 IIBD Cc1nc(C)c([C@@H](C)N(C)C(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2O)s1 798168704 NQBXRQKIBVWHDL-SNVBAGLBSA-N 435.893 4.046 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 804779131 SEDSGSIENFTKNK-AWEZNQCLSA-N 428.432 4.401 5 20 IIBD O=C(NC1CCCCC1)OC[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 804874841 ZDOBNQMQBXLWCF-INIZCTEOSA-N 443.422 4.277 5 20 IIBD C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](c2nc(CCNc3ccccc3[N+](=O)[O-])no2)C1 809387856 FVPUDEMTFYZQEQ-WMLDXEAASA-N 431.493 4.341 5 20 IIBD COc1cc(Cc2noc([C@H]3C[C@H](C)CCN3C(=O)OC(C)(C)C)n2)ccc1[N+](=O)[O-] 809434566 FJDFDENDPXOBSW-CZUORRHYSA-N 432.477 4.285 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)O[C@H]2CCN3CCC[C@@H]3C2)cc1[N+](=O)[O-] 810848369 TXRFFQJWIADIEG-SJORKVTESA-N 440.521 4.331 5 20 IIBD C[C@H](OC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(=O)N[C@@H]1CCOc2ccccc21 811374703 MEVCMPQHGFVXLQ-ZUZCIYMTSA-N 439.251 4.087 5 20 IIBD C[C@](O)(C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CCC1 812680561 ZIHHHDXHKFYIHA-WIYYLYMNSA-N 432.860 4.022 5 20 IIBD CN(C)CCC(=O)Nc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 812934957 SWLOIOLVUBABFA-UHFFFAOYSA-N 425.272 4.044 5 20 IIBD O=C(C[C@H]1CCCCCN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccco1 815033918 XLCAHLDPYSYRBN-GFCCVEGCSA-N 444.868 4.187 5 20 IIBD CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC1 817038376 JTDFRDJCGPDMPY-DLBZAZTESA-N 431.533 4.229 5 20 IIBD O=C1CCCc2cc(S(=O)(=O)Oc3ccc([N+](=O)[O-])cc3-c3cccs3)ccc2N1 917862550 LTGATJLACBJKOL-UHFFFAOYSA-N 444.490 4.366 5 20 IIBD COc1ccc(COC(=O)c2cc(SC)ccc2[N+](=O)[O-])c(Br)c1OC 917967628 OMMKLNUWCMBDOX-UHFFFAOYSA-N 442.287 4.453 5 20 IIBD O=C(OCc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 919087229 FZDYHWAJPXNEQP-KRWDZBQOSA-N 441.242 4.389 5 20 IIBD COc1ccc(CN(C)C(=O)[C@H](OC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C(C)C)cc1 919212837 YXOFYBQOPRZTHA-OAQYLSRUSA-N 440.452 4.190 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCN(c2cccc(Br)c2)C1 919995602 LCKOZUBCEIEACO-FSNWXROXSA-N 430.302 4.013 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCc1cc(=O)oc2cc3c(cc12)CCC3 920779571 UFFSCRUTKLFFEZ-LBPRGKRZSA-N 443.839 4.354 5 20 IIBD Cc1c(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cnn1C1CCCC1 1116409861 HUCRXUFPYQGBQI-UHFFFAOYSA-N 425.411 4.076 5 20 IIBD CCN(C(=O)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC)cc1)c1ccccc1 1317998912 PTNGMPCHVUJVTA-UHFFFAOYSA-N 432.480 4.484 5 20 IIBD O=C([C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)N1Cc2ccc([N+](=O)[O-])cc2C1 1318795877 UYZBEOVMVCDMPG-SFHVURJKSA-N 434.279 4.049 5 20 IIBD COc1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3Br)n2C)cc1 1324138195 DTUFAXKXLNCAOZ-UHFFFAOYSA-N 435.303 4.454 5 20 IIBD Nc1c(C(=O)N2CCC(OCC3CCCCC3)CC2)cc(Br)cc1[N+](=O)[O-] 1340052200 ZEBUVFLAUMPUKV-UHFFFAOYSA-N 440.338 4.141 5 20 IIBD O=C(Nc1ccc(CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc1)c1ccc(F)cc1 1340291054 DDCNWZLBAUNKRY-UHFFFAOYSA-N 434.427 4.212 5 20 IIBD NC(=O)[C@@H](NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(Cl)cc1 1345086870 XQLKDBFKIKGDJJ-IBGZPJMESA-N 440.843 4.389 5 20 IIBD Cc1nc(-c2ccc3c(c2)CCN3C(=O)COc2c(Cl)cncc2[N+](=O)[O-])cs1 1345380660 NVZCJWSVFIIKIR-UHFFFAOYSA-N 430.873 4.043 5 20 IIBD COc1cc(C(=O)NC2(c3ccc(NC(=O)/C=C/C4CC4)cc3)CCC2)ccc1[N+](=O)[O-] 1786161466 QWKCMDHEQCLUED-LFYBBSHMSA-N 435.480 4.317 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)C(Cl)(Cl)Cl)CCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 1790186147 ITPRFDVSNOWAHA-UHFFFAOYSA-N 445.690 4.041 5 20 IIBD C[C@@H]1CCC[C@H]1C(=O)NC1(c2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2)CCC1 1790619972 OXRFPOUNMZDMJB-DNVCBOLYSA-N 437.496 4.484 5 20 IIBD CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C2)c1ccccc1 1795456552 HLXUIOVHNWVRTR-PCMMRFLMSA-N 447.535 4.440 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(Cl)s1 1800528699 RCJLPFXCYBDAMT-ZSBIGDGJSA-N 437.880 4.014 5 20 IIBD CCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830622790 NUWMCHBCYJOQEZ-IBGZPJMESA-N 433.524 4.403 5 20 IIBD O=C(C1CCC1)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1832903051 MNFDSMSXRIXCHS-VIOKTNGOSA-N 425.529 4.028 5 20 IIBD CC[C@H](C)[C@H](C(=O)N1CC2(CCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)C1)c1ccccc1 1841002913 NUISJMLUNZYFOE-CYFREDJKSA-N 449.551 4.171 5 20 IIBD O=C([C@@H]1CCC[C@H]2CCCC[C@H]21)N1CC2(CCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 1845403387 LKTYSXQCUCPDCC-MAODMQOUSA-N 443.519 4.157 5 20 IIBD COc1cccc(Nc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3F)s2)c1 3601435 ZJXNQZKNMHGGTO-UHFFFAOYSA-N 435.462 4.068 5 20 IIBD C[C@H](OC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O)c1cccc([N+](=O)[O-])c1 21665636 VCLWGDUVDAHKGE-HNNXBMFYSA-N 432.432 4.429 5 20 IIBD CC(=O)c1ccc(-c2ccc(C(=O)OCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)o2)cc1 22524780 HQIMPRJPQIKEMJ-UHFFFAOYSA-N 433.376 4.464 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N(C)Cc2cc(C)on2)cc1[N+](=O)[O-] 25138680 AWGDGURYSNIBQR-UHFFFAOYSA-N 425.466 4.116 5 20 IIBD CN(Cc1ccccc1F)C(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 25584732 DFOQWGCMLAYRJB-UHFFFAOYSA-N 435.455 4.303 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3ccc(F)c(C(N)=O)c3)cc2[N+](=O)[O-])n1 33063490 HPLRUUMUOFEPBP-UHFFFAOYSA-N 432.458 4.001 5 20 IIBD O=C(c1ccc(-c2nc3ccccc3s2)o1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 36667928 KQZKDBXHGGMPPS-UHFFFAOYSA-N 434.477 4.427 5 20 IIBD COC(=O)[C@H](C)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 58062172 ABUXJFDFJYHCSZ-XOAFGZPJSA-N 445.475 4.311 5 20 IIBD CCOc1cc(NC(=O)NCc2cccc(Br)c2)c([N+](=O)[O-])cc1OCC 58418250 FGDYLDIDCKYCSE-UHFFFAOYSA-N 438.278 4.476 5 20 IIBD Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cc1C(F)(F)F 58617239 BBKBHSKYFAJBKE-LLVKDONJSA-N 425.338 4.053 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1snnc1CC 61052703 ACJPQTBIZBLQNV-UHFFFAOYSA-N 432.483 4.166 5 20 IIBD COc1cc(C(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)c([N+](=O)[O-])cc1OC 64998182 UGMHRKCWXFZQAU-UHFFFAOYSA-N 445.815 4.363 5 20 IIBD CO[C@H](C)C(=O)Nc1cccc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 65121455 AKSRYVFECPDTQE-MRXNPFEDSA-N 448.479 4.433 5 20 IIBD CCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 104548915 WQYCHZGWNYZGST-NSHDSACASA-N 426.347 4.196 5 20 IIBD COc1ccc(OC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)c([N+](=O)[O-])c1 105513690 QSKYXSAYHRHNCS-UHFFFAOYSA-N 440.412 4.271 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1Nc1cccc(OCc2ccccn2)c1 301278545 XCQBXSMYOFAOKC-UHFFFAOYSA-N 435.408 4.309 5 20 IIBD Cc1noc(C)c1C[C@@H](C)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 301391574 ZXNBGDPSEJABEX-CYBMUJFWSA-N 430.486 4.044 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NCc1coc(-c2ccccc2)n1 301409692 JISXZKMGIFLRKF-UHFFFAOYSA-N 427.360 4.155 5 20 IIBD CO[C@@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1ccccc1Cl 301646988 DKZWZILAYYRPPX-KRWDZBQOSA-N 435.267 4.247 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCCN(c2nnc(C(F)(F)F)s2)CC1 302607512 AXFMZIBNRYMBPA-UHFFFAOYSA-N 441.357 4.201 5 20 IIBD CS(=O)(=O)c1cc(C(=O)Nc2nc(-c3ccccc3Cl)cs2)cc([N+](=O)[O-])c1 303009571 MJVHNGLNOYWRCO-UHFFFAOYSA-N 437.886 4.028 5 20 IIBD Cn1c([C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])c2ccccc2)nc2ccccc21 303027376 NDILVUCPNSGCBF-QHCPKHFHSA-N 429.480 4.189 5 20 IIBD C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 428777693 JKWGXTHRJBLZDK-LIRRHRJNSA-N 437.418 4.038 5 20 IIBD Cc1noc(C[C@H](NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c2ccccc2)n1 429522013 OCFDDCZLYMABAP-INIZCTEOSA-N 445.273 4.071 5 20 IIBD CC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c(C)c1 429821905 AUUKEMMGSVTSGB-LBPRGKRZSA-N 434.290 4.446 5 20 IIBD CCCc1c(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cnn1-c1ccc(F)cc1 430177850 NGYQZRQGOLEKIN-UHFFFAOYSA-N 435.415 4.378 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CN[C@@H](CO)c1ccc(Br)cc1C(F)(F)F 430236906 CHQWGYSNEFWIGG-HNNXBMFYSA-N 449.223 4.208 5 20 IIBD CC(C)(NC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1ccc([N+](=O)[O-])cc1 430553871 PSGZORJKALPJHA-OAHLLOKOSA-N 449.429 4.014 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N[C@H](C(=O)O)C1CC1 431445072 LAPYPJZKNBWWPL-HFZJLKNISA-N 437.477 4.115 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3cc(Cl)c(Cl)cn3)CC2)ccc1[N+](=O)[O-] 432497695 QXOBKUGDHNFILZ-UHFFFAOYSA-N 440.287 4.049 5 20 IIBD O=C(NCc1cccc(Cn2cccn2)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436148940 INSYMASXBBNMBN-UHFFFAOYSA-N 444.441 4.134 5 20 IIBD COc1ccc(CSCC(=O)N2CCCc3c(NC(C)=O)ccc(C)c32)cc1[N+](=O)[O-] 438960014 PGISHXWAKILZIN-UHFFFAOYSA-N 443.525 4.083 5 20 IIBD O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC[C@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)c1 443751387 BHUPBBAFGMVLRE-IBGZPJMESA-N 446.916 4.305 5 20 IIBD CC[C@H](C)Oc1cc(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)ccn1 444287414 MOSJQQMNERRQQI-ZDUSSCGKSA-N 437.446 4.462 5 20 IIBD CC(C)N(C[C@@H](O)COc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 444953601 IMGJJUODVPHDJG-OAHLLOKOSA-N 441.406 4.296 5 20 IIBD CCCc1c(NC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cnn1-c1cccc(F)c1 445120323 VCRYUXIERULZCO-UHFFFAOYSA-N 437.435 4.070 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3sc(NC(=O)c4ccco4)cc3C)n2)c1 445582969 KQARDCHNDWJLQX-UHFFFAOYSA-N 440.437 4.459 5 20 IIBD CCSc1ccc(-c2noc(-c3nn(-c4ccccc4[N+](=O)[O-])c(C)cc3=O)n2)cc1 445752641 QMPRUWPRMXBHLS-UHFFFAOYSA-N 435.465 4.278 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1[C@H]2CC[C@H]1CC(N(C)C(=O)c1ccccc1)C2 462610592 CRFYXNCZXLAVNS-VJBMBRPKSA-N 449.551 4.458 5 20 IIBD O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1CCC(F)(F)[C@H](CO)C1 462677665 IKMDMCGYEVDQQE-LBPRGKRZSA-N 442.871 4.489 5 20 IIBD CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 463061719 RPCXGVGYBXHOIY-QVKFZJNVSA-N 429.904 4.054 5 20 IIBD Cc1nn(CCC(=O)N[C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)c(C)c1[N+](=O)[O-] 464243876 XWAGDILSDVBDRT-INIZCTEOSA-N 443.504 4.255 5 20 IIBD O=C(Nc1nnc(Cc2cccc(Cl)c2)s1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 464332890 ISBJTSPFPNDCCR-UHFFFAOYSA-N 440.872 4.129 5 20 IIBD COc1ccc([C@H](Cc2ccccc2)NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 464709139 HCUHHJCBOUXOIL-FQEVSTJZSA-N 436.464 4.334 5 20 IIBD COc1cc(C(=O)Nc2ccc3cccc(Br)c3n2)c([N+](=O)[O-])cc1OC 465071405 NOFZGPAEBIHAGO-UHFFFAOYSA-N 432.230 4.175 5 20 IIBD O=C(N[C@H]1CCO[C@@]2(CCOC2)C1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 466238845 BCVJBSUZPMCAPM-BTYIYWSLSA-N 448.928 4.467 5 20 IIBD O=C(NCc1nnc2n1CCCC2)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 466760608 KMXJEQICTGCAQX-UHFFFAOYSA-N 443.916 4.257 5 20 IIBD O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 467265724 JQNSMJZNSYMNNB-CYBMUJFWSA-N 430.823 4.457 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])cc2)cc1 467288538 OURMINXZKFEXSG-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)Nc2cnn(C(F)F)c2)cc1[N+](=O)[O-] 467429207 WABCRAGKIQEQCU-UHFFFAOYSA-N 432.408 4.392 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 472562506 MHEIETVBAGVXQE-IBGZPJMESA-N 427.819 4.232 5 20 IIBD COc1ccc(CSCC(=O)N2CCOc3ccc(C(F)(F)F)cc32)cc1[N+](=O)[O-] 472875737 BMXCDLOQPYNJHB-UHFFFAOYSA-N 442.415 4.281 5 20 IIBD CC(C)[C@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ncc[nH]1 473280461 BQOXGMOTTOETBA-KRWDZBQOSA-N 439.438 4.067 5 20 IIBD Cc1ccc(CNC(=O)C2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 473440030 SHTJIQJVEVZTEX-UHFFFAOYSA-N 430.892 4.117 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)c2cc3cccc(F)c3o2)ccc1[N+](=O)[O-] 475795803 YJFVWTXETKMFPH-LIRRHRJNSA-N 439.443 4.271 5 20 IIBD C[C@@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1c(F)cccc1Cl 477505305 QZIOTXOSQZWNIP-SNVBAGLBSA-N 435.868 4.158 5 20 IIBD CCn1ncnc1CNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 478095219 HUCKRWOAOPCDLA-LFIBNONCSA-N 448.508 4.063 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)N[C@@H](CC1CCC1)c1ccccc1 478097456 PKDHEJGCNSBKJQ-INIZCTEOSA-N 433.411 4.182 5 20 IIBD COc1cc(C(=O)Nc2cc3c[nH]nc3cc2C)c([N+](=O)[O-])cc1OCc1cscn1 481302707 FBEQDAIDNQXZLJ-UHFFFAOYSA-N 439.453 4.076 5 20 IIBD CCn1c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nnc1-c1ccc(F)cc1 481370462 LSGFAGDODBFXCZ-UHFFFAOYSA-N 426.433 4.355 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](c1cc(F)cc(Br)c1)C1CC1 481735938 BEXXTCHHYRVDIG-IBGZPJMESA-N 436.281 4.484 5 20 IIBD Cc1ccc(F)cc1-c1nnc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 481848519 OKNXYQVAAMWJGP-UHFFFAOYSA-N 428.854 4.015 5 20 IIBD CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 485133164 KDHNMLKEYFPLAM-NRFANRHFSA-N 433.489 4.064 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N(C)CCc2cccc(Br)c2)cc1OC 485446004 MUKFPYSULZXUPJ-UHFFFAOYSA-N 437.290 4.079 5 20 IIBD O=C(NCC1(c2ccc(F)cc2F)CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 485459578 CFURTISHYUNYJU-UHFFFAOYSA-N 437.830 4.093 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C(C)C)C3CCCC3)cc2)cc1[N+](=O)[O-] 486198974 NVGBTTXZDCDISM-UHFFFAOYSA-N 445.541 4.497 5 20 IIBD CN1CCc2ccc(NC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])cc2C1=O 486289092 BAHLZTOPIVPBBP-UHFFFAOYSA-N 431.448 4.054 5 20 IIBD CNC(=O)c1ccc(CN(C)C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 486821717 SEAHKUIZAOWDJQ-UHFFFAOYSA-N 435.505 4.378 5 20 IIBD Cc1cc(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)nn1-c1ccc(Cl)c(Cl)c1 487082413 GZNCJXDHMGRDPF-UHFFFAOYSA-N 449.298 4.070 5 20 IIBD O=C1NCc2c(N[C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c3ccccc3)cccc21 488375650 URTJVQJEDQMYBM-HXUWFJFHSA-N 436.855 4.284 5 20 IIBD CCn1cc([C@H]2C[S@](=O)CCN2Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cn1 488544342 NKKXNFKCUIEHSK-HZAQMHFWSA-N 448.932 4.030 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2ccn(CCN(C)C)c2c1 489566102 KBOLSJWWDGBMMB-UHFFFAOYSA-N 442.541 4.102 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Nc2cc(OC)cc(OC)c2)CC1 490058660 IRFDCLCROONUNM-UHFFFAOYSA-N 445.541 4.441 5 20 IIBD C[C@@H]1C[C@H]1c1cc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n[nH]1 490250950 SATBFWVBANDRHR-BXUZGUMPSA-N 437.422 4.315 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(S(=O)(=O)C3CCCCC3)c2)c1 491409455 HNGPWBXOQDGINR-UHFFFAOYSA-N 432.498 4.352 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCC(Oc2ccccn2)CC1 495489660 RCIGFQAKLFLKNC-UHFFFAOYSA-N 432.480 4.286 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1 497919909 VKMOWFDGAKFFID-UHFFFAOYSA-N 441.484 4.337 5 20 IIBD CC(C)Nc1cccc(F)c1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 498033184 STQJMJXTPOCLTM-UHFFFAOYSA-N 432.271 4.118 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)cc1[N+](=O)[O-] 498231495 LLROPFSYGPWOFP-KUHUBIRLSA-N 435.427 4.349 5 20 IIBD CCOC(=O)c1cc(C)sc1NC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] 500726655 ULSNTHDDZLJUTO-UHFFFAOYSA-N 430.385 4.004 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(NCc3cc(Br)ccc3OC(F)F)cc2N1 504186969 MWLRVAGUCIMPAO-UHFFFAOYSA-N 442.216 4.456 5 20 IIBD C[C@H](c1ccc(OC(F)(F)F)cc1)[S@](=O)CCC(=O)Nc1ccccc1[N+](=O)[O-] 507712264 AKGWTCIORRHCTE-XETJZTBLSA-N 430.404 4.332 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccccc2Cn2cncn2)cc1[N+](=O)[O-])c1ccccn1 509135989 GZOPPNZZQBSABN-MRXNPFEDSA-N 443.467 4.055 5 20 IIBD C[C@H]1CN(Cc2csc(NC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)n2)C[C@H](C)O1 509227567 NWPSNIQGIXOVHC-KBPBESRZSA-N 432.546 4.210 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)nc1 509550831 ZEQGRWNBHMPMSO-CALCHBBNSA-N 427.505 4.046 5 20 IIBD COc1ccc(-c2ccc(CN[C@@H]3CCN(C(=O)Nc4ccccc4)C3)o2)c([N+](=O)[O-])c1 510003873 FWTMOOCOEREAMY-QGZVFWFLSA-N 436.468 4.259 5 20 IIBD O=C(CN1CCC(c2nc3cc(Cl)ccc3o2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 510311798 FACKISZYXXFBKX-UHFFFAOYSA-N 440.887 4.158 5 20 IIBD Cc1ccc(CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c(OCC(F)(F)F)c1 511522837 SVGCLDWIDAQYMX-UHFFFAOYSA-N 425.407 4.228 5 20 IIBD O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1ccc(Cl)cc1[N+](=O)[O-] 511858388 JQVIBZKMPCOYLS-GFCCVEGCSA-N 429.782 4.156 5 20 IIBD O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)c1ccc([N+](=O)[O-])cc1Cl 512151847 HVDLNHWREQDJDX-LBPRGKRZSA-N 438.709 4.267 5 20 IIBD COc1ccc(C2(CN[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CCCCC2)cc1OC 512232614 CPGBNCRKUOOVGQ-QGZVFWFLSA-N 441.528 4.431 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1 513302948 ASUFPWJIJFOGIA-UHFFFAOYSA-N 442.903 4.307 5 20 IIBD C[C@H](Oc1ccccc1NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccccc1 513480383 BHNOUVOJWOSQBA-HNNXBMFYSA-N 440.477 4.391 5 20 IIBD O=C(Cc1noc(-c2ccc([N+](=O)[O-])cc2Br)n1)Nc1ccc(Cl)cc1 515559287 JIMDDINYDSWPSF-UHFFFAOYSA-N 437.637 4.242 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)N2CCC(Oc3ccc(F)cc3F)CC2)cc1[N+](=O)[O-] 515755558 SGLWLPDYYMXGNT-UHFFFAOYSA-N 446.859 4.067 5 20 IIBD O=C(CCN1CCCCC1)Nc1cccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1 520914762 YHEPTZFCNLWDEA-UHFFFAOYSA-N 442.541 4.140 5 20 IIBD COc1ccccc1Nc1nnc(S[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)s1 521837312 GNUFDFXIRKMUTB-INIZCTEOSA-N 443.510 4.096 5 20 IIBD COc1ccc(CNC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)cc1[N+](=O)[O-] 522324262 OXVLGCPQSXCELX-UHFFFAOYSA-N 436.390 4.483 5 20 IIBD CN1C(=O)CC[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccc(C(F)(F)F)cc1 522334644 JWKPUUJUBFVVKA-YLJYHZDGSA-N 447.413 4.112 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)c(Cl)c1 522547663 NSLBXJUZAADDCV-OAHLLOKOSA-N 433.338 4.380 5 20 IIBD CCCN(C(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)[C@H]1CCCN(Cc2ccccc2)C1 522669900 QPFVDUKVARDJKX-FQEVSTJZSA-N 448.523 4.365 5 20 IIBD O=C(COc1cccnc1)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 522734382 MXYUITWFKLJIBN-UHFFFAOYSA-N 431.807 4.270 5 20 IIBD CCOc1cc(NC(=O)Nc2ccc(O[C@H]3CCOC3)cc2)c([N+](=O)[O-])cc1OCC 523551744 DQQBWTNFLHTXDG-INIZCTEOSA-N 431.445 4.204 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 523879634 WVUJHJXKHYXPIM-UHFFFAOYSA-N 428.876 4.136 5 20 IIBD CCc1ccc([C@@H](NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C(C)C)cc1 525453216 SNMJPWBJGOMNAQ-QFIPXVFZSA-N 438.528 4.022 5 20 IIBD NC(=O)[C@@H]1CCCN1Cc1cccc(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1 532748337 ORXVEJRZMGCWHN-NRFANRHFSA-N 436.537 4.385 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N2CCc3ccc(O)cc3C2)cc1[N+](=O)[O-] 532868352 CIQWPLTUOFVGHG-UHFFFAOYSA-N 448.500 4.452 5 20 IIBD O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)NCCn1cc([N+](=O)[O-])cn1 533935011 TUDOMTJEXBWELC-UHFFFAOYSA-N 434.283 4.201 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@H](CCCO)c3ccccc3)cc2[N+](=O)[O-])C1 534922511 VFPYPFDGRKPQSC-LVCYWYKZSA-N 425.529 4.321 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N(CCCO)Cc1cccc(Cl)c1 535279608 FMXNUZGWNINDQU-UHFFFAOYSA-N 431.901 4.397 5 20 IIBD CN(Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@@H]1CCCC[C@H]1S(C)(=O)=O 537631355 SNUUEANVSIANGH-WIYYLYMNSA-N 436.505 4.314 5 20 IIBD COCCn1ccc2ccc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cc21 537764788 UACDBBVUWMWJNJ-UHFFFAOYSA-N 425.488 4.395 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 538262694 GZDCHLYDHJNNSE-DNVCBOLYSA-N 425.268 4.317 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](C)Cc1ccc(F)c(Br)c1 541332093 UJZPYVCOIIDHHL-LLVKDONJSA-N 425.254 4.000 5 20 IIBD O=C(CCNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)Nc1cccnc1 542605062 QVSDXIKAICQTLT-UHFFFAOYSA-N 428.514 4.031 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(OCc3ccccn3)c(F)c2)c1 543662628 IXPXOYRVSGZMTA-UHFFFAOYSA-N 431.445 4.126 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(CCCCOc3ccc(Br)cc3)n2)nc1 545778546 YFFVEBQHVWEIBB-UHFFFAOYSA-N 433.262 4.128 5 20 IIBD CC(C)(C)Oc1ccc(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])c(C(F)(F)F)c1 546068238 AMCDSPMMZGEVJD-UHFFFAOYSA-N 446.447 4.411 5 20 IIBD COc1cc(Cc2noc(CCc3cccc([N+](=O)[O-])c3)n2)ccc1OCC(F)(F)F 546350593 DGCQQCNOSNFDIW-UHFFFAOYSA-N 437.374 4.304 5 20 IIBD CC[C@H](CC(F)(F)F)NC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 546915679 UYUQXPODBOMSLO-CQSZACIVSA-N 437.418 4.353 5 20 IIBD Cn1ccnc1Sc1ncc(-c2nc(Cc3ccccc3[N+](=O)[O-])no2)cc1Cl 546948708 WAZBFYHACHGXRY-UHFFFAOYSA-N 428.861 4.169 5 20 IIBD COc1cc(Br)c(Cc2noc(-c3ccc(C)c([N+](=O)[O-])c3)n2)cc1OC 546951454 WLIVARFTMUFJAD-UHFFFAOYSA-N 434.246 4.324 5 20 IIBD O=[N+]([O-])c1ccc2[nH]nc(-c3nc(Cc4ccc(OCc5cccnc5)cc4)no3)c2c1 547035699 ONMIYLANGJDHNW-UHFFFAOYSA-N 428.408 4.086 5 20 IIBD Cc1ccc(C(=O)N2CCN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)CC2)cc1F 549770687 YEADLTFXXQOVJC-UHFFFAOYSA-N 425.382 4.019 5 20 IIBD CC[C@@H]1Oc2cc([C@@H](C)NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)ccc2NC1=O 551275310 DBNXQWXNBRGZRK-HWPZZCPQSA-N 437.374 4.214 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2ccccn2)cc1[N+](=O)[O-] 551404145 UXXUBVSORYPUIT-NRFANRHFSA-N 432.480 4.132 5 20 IIBD CN1CCN(C(=O)c2ccc(NCc3ccc(-c4ccccc4[N+](=O)[O-])s3)cc2)CC1 555507950 RPUCPICCOQFPRG-UHFFFAOYSA-N 436.537 4.323 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 558778418 FALBMMZTTLCJQQ-QGZVFWFLSA-N 430.404 4.052 5 20 IIBD O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 559421394 ZDHZMGURCPWJGV-FQEVSTJZSA-N 427.888 4.007 5 20 IIBD CNC(=O)Nc1cc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])ccc1F 560746238 SUWRVHONMLEBAP-UHFFFAOYSA-N 438.415 4.317 5 20 IIBD CS[C@H]1C(=O)Nc2ccc(-c3noc(C(C)(C)c4ccc([N+](=O)[O-])cc4F)n3)cc21 561894550 YIUZIOCOQMLBJL-MRXNPFEDSA-N 428.445 4.466 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H](C)CN(C)C(C)C)cc1[N+](=O)[O-] 577908222 JSRMFHDYYHTLHG-HNNXBMFYSA-N 429.542 4.006 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H]2CCCOc3ccc(F)cc32)cc1[N+](=O)[O-] 583158654 QYMTWTUXBLSDJZ-QGZVFWFLSA-N 429.448 4.000 5 20 IIBD CCc1ccc([C@H]2CCCN(C(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)C2)cc1 586833912 WPOLXJJYJATRQN-IBGZPJMESA-N 437.496 4.252 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)Nc1cc(Br)ccc1Br 604476196 IIZDIPSMHYOWHZ-UHFFFAOYSA-N 429.068 4.442 5 20 IIBD O=C(c1ccc(C(=O)N2CCC[C@@H]2C2CCC2)cc1[N+](=O)[O-])N1CCC[C@H]1C1CCC1 609114073 GRLILTCNFWWIMS-RTWAWAEBSA-N 425.529 4.404 5 20 IIBD Cc1cccc(Oc2ccccc2CNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c1 609299060 NNFCAKZVQVPZNY-UHFFFAOYSA-N 433.464 4.132 5 20 IIBD C[C@@H](NC(=O)Nc1cccc(NC(=O)CCN2CCCCC2)c1)c1cccc([N+](=O)[O-])c1 609433842 ICMCCRWQWLXBEI-QGZVFWFLSA-N 439.516 4.292 5 20 IIBD O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 609483004 NEKBLLGGUFUIPD-UHFFFAOYSA-N 442.537 4.223 5 20 IIBD CN(C)C(=O)[C@@H]1CCC[C@@H](NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 609637061 NBTPSZNUPPDFFM-TZIWHRDSSA-N 447.539 4.184 5 20 IIBD O=C(CC1(CC(=O)N2CCc3c2cccc3[N+](=O)[O-])CCCCC1)Nc1nccs1 609992834 VTUSTHBBFMJSJC-UHFFFAOYSA-N 428.514 4.310 5 20 IIBD Cn1ccnc1Sc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 610038492 DUGNODJHBBZZNU-UHFFFAOYSA-N 433.287 4.494 5 20 IIBD Cc1ccc(NCCCNC(=O)NCc2ccc(Oc3ccccc3)nc2)c([N+](=O)[O-])c1 610090274 WUSVVDDQMRPPJW-UHFFFAOYSA-N 435.484 4.392 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccn(C(F)F)n1 611439759 JRHMTZGBOSALMW-UHFFFAOYSA-N 436.396 4.344 5 20 IIBD O=C(O)c1ccccc1C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 615166918 IGSPNEXNBBJOEN-UHFFFAOYSA-N 447.285 4.004 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)/C(=C\c1cccs1)n1nnnc1-c1ccccc1 726916347 PXGFGPJXUVHCMJ-LDADJPATSA-N 436.428 4.086 5 20 IIBD CC[C@H]1CCc2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(Br)c3)sc2C1 727251349 SIVUCNCBLCQAPG-VIFPVBQESA-N 446.348 4.130 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)Oc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1 729113292 YQVURZBMZVKTLN-IBGZPJMESA-N 438.440 4.294 5 20 IIBD O=C(O[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1ccc(Cl)cc1[N+](=O)[O-] 733818953 XCOSEADPQFZVSA-HNNXBMFYSA-N 444.749 4.109 5 20 IIBD C[C@@H]1c2ccc(F)cc2CCN1C(=O)c1ccc(I)c([N+](=O)[O-])c1 737697426 KNYQVNVWDADMDM-SNVBAGLBSA-N 440.212 4.098 5 20 IIBD CCOc1cc(NC(=O)[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1OCC 739500352 VXSLSSLIZXZYMW-KGLIPLIRSA-N 437.493 4.024 5 20 IIBD O=C(CCc1nnc(-c2ccsc2)o1)OCc1ccc([N+](=O)[O-])cc1Br 739578994 SPTPDOANKMARJN-UHFFFAOYSA-N 438.259 4.145 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)CC1 739629729 VPSPSXCZVGUGBY-FQEVSTJZSA-N 425.485 4.251 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])c(Cl)c1 741054566 XMZWCXOWRUEZJX-UHFFFAOYSA-N 449.847 4.391 5 20 IIBD O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)Nc1cc(Br)cc(C(F)(F)F)c1 743264220 RNLHVCJDQLZQNZ-UHFFFAOYSA-N 443.172 4.316 5 20 IIBD COc1ccc(-n2ccn(CN3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)c2=S)cc1 743391493 WYOQEZINMSELHZ-UHFFFAOYSA-N 440.525 4.426 5 20 IIBD Cn1c(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc2cc(C(F)(F)F)ccc21 745626636 KXLTWTHGGWWXIJ-UHFFFAOYSA-N 436.342 4.329 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1I)c1ncc(C(C)(C)C)o1 747689165 RUSXOYHLKSYDIX-SECBINFHSA-N 444.225 4.403 5 20 IIBD CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 747955714 LLTYEPPXVUAHCN-CYBMUJFWSA-N 439.449 4.105 5 20 IIBD CCCCO[C@@H]1C[C@@H](OC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C1(C)C 749064029 DQEAXHHQGISLIT-IAGOWNOFSA-N 434.518 4.015 5 20 IIBD CCOCc1ccc(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cc1 749410963 SAGVBWMMAJIJNI-UHFFFAOYSA-N 427.682 4.477 5 20 IIBD C[C@@H](OC(=O)c1ccc(Br)c(O)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 750552653 XBRJIMCHMRCCJS-SECBINFHSA-N 434.202 4.031 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])c(Br)cc2F)c(C)c1 751691618 KUOQSEVYTAQPGL-NSHDSACASA-N 439.237 4.297 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cccc(C3SCCS3)c2)cc1[N+](=O)[O-] 752133873 FFICDGZUBLCUNB-ZDUSSCGKSA-N 431.539 4.198 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1cccc(CS(=O)(=O)c2ccccc2)c1 752978149 IUKAURUUJSEXOB-UHFFFAOYSA-N 430.869 4.474 5 20 IIBD O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)Nc1cccc([N+](=O)[O-])c1Cl 752983271 QZWGMIWNODQQDR-UHFFFAOYSA-N 437.839 4.416 5 20 IIBD O=C(Nc1ccccc1CCC(F)(F)F)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 757438952 QIVWTXMEGCVOLF-ZDUSSCGKSA-N 439.365 4.220 5 20 IIBD NC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2Br)sc2c1CCCCC2 757799797 IRHIMASQUQWUBJ-UHFFFAOYSA-N 438.303 4.039 5 20 IIBD Cn1ccnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccc(Cl)cc1 757885084 HOIKMWVYKRJGIA-INIZCTEOSA-N 449.692 4.264 5 20 IIBD COc1ccccc1[C@H](CNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-])NC(=O)OC(C)(C)C 758422073 NBOKIWGOZOXPNL-KRWDZBQOSA-N 447.463 4.047 5 20 IIBD C[C@H](OC(=O)c1ccccc1CCC(F)(F)F)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 758929421 YOHIGIRGMXIOGC-NSHDSACASA-N 428.338 4.413 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(O)(c1ccccc1)c1ccccc1 760452075 SXGXIEUVVKKMTI-UHFFFAOYSA-N 430.416 4.229 5 20 IIBD O=C(Nc1cccc(-c2noc(CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)c1)c1ccco1 761533086 IACRJJUYCQOAOP-UHFFFAOYSA-N 449.379 4.184 5 20 IIBD C[C@H]1CN(C(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)CCS(=O)(=O)C1 762659325 QPOCFPFTIZDOJR-KRWDZBQOSA-N 447.556 4.440 5 20 IIBD CCOC(=O)c1cc(Br)ccc1NC(=O)c1cc(F)c([N+](=O)[O-])cc1F 763484885 OZOQGZAQJZSENM-UHFFFAOYSA-N 429.173 4.065 5 20 IIBD Cc1c(C(F)(F)F)nn(C)c1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 763614705 HQLJTFIXNYNHBU-UHFFFAOYSA-N 425.411 4.144 5 20 IIBD CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 764148077 BWPPMAVTZKZJDN-UHFFFAOYSA-N 429.782 4.368 5 20 IIBD CN(C)c1ccc(-n2ccnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 765631424 ITWNEAHUMVHCHG-UHFFFAOYSA-N 431.905 4.231 5 20 IIBD C[C@H](NC(=O)COC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccc(Cl)cc1Cl 766219063 GQQQLICYMACFOR-NSHDSACASA-N 448.262 4.484 5 20 IIBD COc1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)Cc3ccccc32)c1[N+](=O)[O-] 766593397 YEPWLBUFTKIUBW-UHFFFAOYSA-N 427.457 4.001 5 20 IIBD CC[C@@H]1CCCC[C@@H]1OCC(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 766809953 KJLUGXBZRKGLAY-XNJGSVPQSA-N 446.422 4.469 5 20 IIBD CCS[C@H](C)c1noc(COC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)n1 767231158 FPSYOGRDPOFMHF-CQSZACIVSA-N 434.518 4.385 5 20 IIBD Cc1cc(Br)cc2cc(C(=O)OCC(=O)Nc3ccccc3[N+](=O)[O-])oc12 768652287 VXUVKMVVLNOXAX-UHFFFAOYSA-N 433.214 4.207 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 769422931 NDQFKTRSUIBFBN-UKRRQHHQSA-N 442.354 4.483 5 20 IIBD C[C@@H](Oc1cccc2ccccc12)C(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 774073182 USCGLXDMFMYQAG-QGZVFWFLSA-N 435.480 4.370 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 777349841 KLDSUNZFGLMHST-UWJYYQICSA-N 441.484 4.412 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@H]1CCOC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 778135552 CUBBISPNLHKETI-LBPRGKRZSA-N 426.803 4.394 5 20 IIBD O=C(Nc1ccc(-n2cnc3ccccc32)nc1)c1cc([N+](=O)[O-])ccc1OC(F)F 778574254 HDKVGISKEZOMIW-UHFFFAOYSA-N 425.351 4.182 5 20 IIBD O=C(COC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)Nc1cc(Cl)c(Cl)cc1Cl 778899029 MNXCTDJHOUCCBF-UHFFFAOYSA-N 447.614 4.079 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 781004010 IRAWEIBZRLHTMT-NVXWUHKLSA-N 435.524 4.057 5 20 IIBD COC(=O)c1ccccc1CCOC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781256903 GQYMXGRTLUDKGM-UHFFFAOYSA-N 437.398 4.146 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 781571039 ZQJMVMPENTZGGS-GOSISDBHSA-N 429.432 4.025 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)O[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 781821574 HYAUUSNQVRCVPP-MRXNPFEDSA-N 446.525 4.153 5 20 IIBD Cc1c(C)n(C[C@@H]2CCCO2)c2ncnc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c12 782574734 CBLJPEBIWNHJDP-AWEZNQCLSA-N 429.864 4.041 5 20 IIBD CCOc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 783330735 HLFODWNJCOAXQF-QGZVFWFLSA-N 433.892 4.489 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])c(F)c1)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 785423355 YPSZJTQZFGASCV-UHFFFAOYSA-N 448.403 4.031 5 20 IIBD Cc1ccc(N2CCOC2=O)cc1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 786260865 QAEKRCJPXAXDCO-UHFFFAOYSA-N 434.246 4.183 5 20 IIBD O=[N+]([O-])c1ccc(COc2c([N+](=O)[O-])cnc3ccc(Br)cc23)c([N+](=O)[O-])c1 789966740 KKPBWYSFLANXMY-UHFFFAOYSA-N 449.173 4.301 5 20 IIBD COc1cc(C(=O)N(Cc2ccccc2)C[C@H](O)c2cccs2)cc([N+](=O)[O-])c1C 790764798 DSDZSRSJLDNROI-IBGZPJMESA-N 426.494 4.349 5 20 IIBD O=C(CCc1cnc2ccccc2c1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791171168 AROMHWWJDPSYRX-UHFFFAOYSA-N 440.297 4.423 5 20 IIBD O=C(Cc1c[nH]c2cccc(Br)c12)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 792062901 HTHXUWGVTPSCRT-UHFFFAOYSA-N 434.202 4.033 5 20 IIBD O=C(Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)nc1)c1ccccc1 794202332 AWBDXJJUCPTXTH-UHFFFAOYSA-N 431.452 4.095 5 20 IIBD CCc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 795932631 HUAOCMCANLFKLR-UHFFFAOYSA-N 429.816 4.261 5 20 IIBD O=[N+]([O-])c1ccc(Sc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)c([N+](=O)[O-])c1 800143879 NFWZLTYAXGZFSL-HNNXBMFYSA-N 445.432 4.231 5 20 IIBD COc1ccc(C2=NO[C@H](CNC(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)C2)cc1C 801375153 HJRUJKIYIDWDCV-KRWDZBQOSA-N 443.525 4.335 5 20 IIBD Cc1ccc(-c2csc(COC(=O)CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])n2)cc1 803344231 XXORPUCSQCMVBR-UHFFFAOYSA-N 445.884 4.153 5 20 IIBD CN(CC(F)(F)Br)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 807866096 RQAZFUXMWJOHSJ-UHFFFAOYSA-N 428.233 4.267 5 20 IIBD COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 809696420 JFTRIXCLWHSWGC-QGZVFWFLSA-N 432.782 4.436 5 20 IIBD C[C@H](C(=O)OC[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)c1cccc([N+](=O)[O-])c1 813157665 OBXYUQYZRUPONS-DZGCQCFKSA-N 428.432 4.134 5 20 IIBD CN1C(=O)C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@@H]1c1ccc(Cl)c(F)c1 813247245 PSLKVRBEUPBTHP-BTDLBPIBSA-N 426.231 4.199 5 20 IIBD O=C(NCCNc1ccc(-c2ccccc2)nn1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813476323 SAYXQPFTVJVKHD-UHFFFAOYSA-N 432.267 4.201 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)cc1[N+](=O)[O-] 915294822 PFCVHCHNYHMVFG-OAHLLOKOSA-N 436.424 4.276 5 20 IIBD O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C/c1cnn(-c2ccc(Cl)cc2)c1 916029555 ZJOCQCAABNGMEC-FRKPEAEDSA-N 429.219 4.432 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(OC(=O)C2(c3ccccc3)CCCC2)c([N+](=O)[O-])c1 916959653 NGDBVNFVRUKLDT-UHFFFAOYSA-N 446.525 4.043 5 20 IIBD CCCN1C(=S)N[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)Nc2cccnc2Cl)=C1C 917372886 AWVBMFRDONHVFI-QGZVFWFLSA-N 445.932 4.197 5 20 IIBD Cc1ccc(C)c(Oc2ccc(CNS(=O)(=O)c3cccc(F)c3[N+](=O)[O-])cn2)c1 918193885 OUVSTGDIRKTDJF-UHFFFAOYSA-N 431.445 4.017 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2ccc(NC3CC3)nc2)c2ccccc2)c([N+](=O)[O-])c1 918760263 UERXVXPWAALMDX-JOCHJYFZSA-N 446.463 4.409 5 20 IIBD COc1ccc(COC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)cc1[N+](=O)[O-] 918823454 YPKMIESQKNZFBA-UHFFFAOYSA-N 426.425 4.073 5 20 IIBD COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OC(F)F 919214701 JVIFDWVRTVZVDA-VIFPVBQESA-N 444.774 4.042 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2csc([N+](=O)[O-])c2)c2ccccc2)c([N+](=O)[O-])c1 919368148 IMYRDGYQQZUGDM-GOSISDBHSA-N 441.421 4.410 5 20 IIBD C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCC[C@H]2c2cccc3ccccc23)C1=O 919950285 IBMHTHIOOCIKHQ-WIOPSUGQSA-N 444.491 4.310 5 20 IIBD CCOC(=O)[C@H](C)NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 920744283 CNLBUQIJXGTMIF-NSHDSACASA-N 431.495 4.037 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CNCc2ccccc2CN2CC[C@@H](O)C2)o1 1116522484 MVMFVAIBJWWLCB-LJQANCHMSA-N 441.915 4.365 5 20 IIBD CCCn1nc(-c2nnc(-c3cc([N+](=O)[O-])ccc3OC(F)F)o2)c2ccccc2c1=O 1118357228 POKJSPPHQWHEOB-UHFFFAOYSA-N 443.366 4.033 5 20 IIBD CC(C)(C)c1cc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n(Cc2ccccc2)n1 1318189490 LQPYSRFGANAEBX-UHFFFAOYSA-N 432.477 4.077 5 20 IIBD O=C(c1ccc(-c2cccs2)s1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 1320868315 WLZGGDWSKGJLAH-UHFFFAOYSA-N 433.536 4.045 5 20 IIBD CCS(=O)(=O)c1ccc([C@H](C)NCc2ccc([N+](=O)[O-])cc2Br)cc1 1321911947 QUTRYPKXJJCEFW-LBPRGKRZSA-N 427.320 4.002 5 20 IIBD Cc1ccc(Sc2ccc(-c3nnc([C@@H]4CCS(=O)(=O)C4)o3)cc2[N+](=O)[O-])cc1 1326498768 RBGVCPANWMDVCY-CQSZACIVSA-N 431.495 4.007 5 20 IIBD Cc1cccc(OCc2nnc(-c3cc(I)cc([N+](=O)[O-])c3)o2)c1 1327268992 ZJTBUSLKNOCWLN-UHFFFAOYSA-N 437.193 4.137 5 20 IIBD COC(=O)c1ccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c(C)c1 1337884850 MOYBBXWNRBHZNU-GJZGRUSLSA-N 425.485 4.424 5 20 IIBD O=C(CCSCc1nc(O)c2c3c(sc2n1)CCC3)OCc1cccc([N+](=O)[O-])c1 1346110965 NZSZPRLUFQBJKR-UHFFFAOYSA-N 445.522 4.161 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1ccnc(OC2CCC2)c1 1354026868 HSTRDDDCYPWCFL-UHFFFAOYSA-N 437.456 4.022 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)NC1(c2ccc(NC(=O)c3ccco3)cc2)CCC1 1787271939 AMQDWWOSTNVCKS-UHFFFAOYSA-N 435.436 4.263 5 20 IIBD Cc1ccnc(C(=O)Nc2ccc(C3(NC(=O)Cc4cccc([N+](=O)[O-])c4)CCC3)cc2)c1 1788709147 XEGJLPLHFJBMDQ-UHFFFAOYSA-N 444.491 4.289 5 20 IIBD Cc1ccnc(C(=O)NC2(c3ccc(NC(=O)c4cc(F)cc([N+](=O)[O-])c4)cc3)CCC2)c1 1790696649 SNTGXGUAISVYIG-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1F)c1c(F)cccc1Cl 1800349728 GKRVQNJTHIXXGY-CLLJXQQHSA-N 449.841 4.092 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1C1CC1 1803515427 ZRQFLXCWNCUBPE-WKCHPHFGSA-N 447.535 4.357 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)[nH]n1)c1ccc([N+](=O)[O-])o1 1814312904 SPWYRFXJBDBBTE-AESZEHBQSA-N 441.488 4.043 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)CCC2CCC2)[nH]n1)c1ccc([N+](=O)[O-])cc1F 1821049298 JIUMFESCZMGSRI-LJQANCHMSA-N 443.479 4.343 5 20 IIBD COc1cc(CSc2nnnn2-c2ccc(C)c(C)c2)c([N+](=O)[O-])cc1OC(F)F 11011174 WLHBTIISBOMLPM-UHFFFAOYSA-N 437.428 4.090 5 20 IIBD Cc1ccc(F)c(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 15539308 JSZBXZDKIIQMFO-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD C[C@H](Sc1nnc(NCc2ccc(F)cc2)s1)C(=O)Nc1cccc([N+](=O)[O-])c1 16334788 UILNGLLZLOIFSP-NSHDSACASA-N 433.490 4.317 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc([N+](=O)[O-])cc1Cc1ccccc1 16458751 NULDGCKUPGRMTL-UHFFFAOYSA-N 437.408 4.120 5 20 IIBD Cc1cc(N2CCCC2)ccc1NC(=O)COC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 19125875 QDPSQENCBGYLCT-MRXNPFEDSA-N 443.525 4.166 5 20 IIBD Cc1ccc(OCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 22052546 YQCYBUMMUCBDOA-UHFFFAOYSA-N 440.477 4.348 5 20 IIBD CC(=O)c1ccc(N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c([N+](=O)[O-])c1 23381232 LXYRBJKFGWKNLD-UHFFFAOYSA-N 438.362 4.051 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1 24103226 AJILHCKZUVNUCB-UHFFFAOYSA-N 426.454 4.348 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N(C)Cc3ccccc3N3CCCC3)cc2)c(C)c1[N+](=O)[O-] 24190977 LXNYXOAPCPSSJG-UHFFFAOYSA-N 447.539 4.329 5 20 IIBD Cc1cc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)ccc1N1CCCC1 25925979 JNBCPHWWQKYRTG-UHFFFAOYSA-N 438.513 4.035 5 20 IIBD COc1cc(CNC(=O)COc2cc(F)ccc2[N+](=O)[O-])ccc1OCc1ccccc1 27032251 VFTPXMAUBPUZNK-UHFFFAOYSA-N 440.427 4.017 5 20 IIBD COc1cc(OC)cc(-c2nnc(SCc3nc(-c4cccc([N+](=O)[O-])c4)no3)o2)c1 31839865 BOKTXSQFUNEULZ-UHFFFAOYSA-N 441.425 4.004 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cccc(COc3cccc(F)c3)c2)c([N+](=O)[O-])c1 32596861 VUGSCGNNIWHOPV-UHFFFAOYSA-N 432.429 4.122 5 20 IIBD O=C(COc1cccc(NC(=O)c2ccco2)c1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 58445814 KVZJTVPLDBBHLT-UHFFFAOYSA-N 447.350 4.059 5 20 IIBD COCCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc2ccccc2s1 64783765 KSLHQYGTFGAMFQ-LBPRGKRZSA-N 435.889 4.305 5 20 IIBD CC(C)(CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 65063687 GQJKXVKZNKMELD-UHFFFAOYSA-N 434.283 4.190 5 20 IIBD CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] 69230640 YHOAWZZVGNZWOW-UHFFFAOYSA-N 435.267 4.191 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccc(-n3cncn3)c(F)c2)cc1[N+](=O)[O-])c1ccccn1 108884749 QBAMXVLAFMVMLL-CQSZACIVSA-N 447.430 4.135 5 20 IIBD O=C(COC(=O)c1ccccc1Oc1cccnc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 109711018 JIFOVLDLDQHPQL-UHFFFAOYSA-N 427.800 4.231 5 20 IIBD CC(C)C(=O)Nc1ccc(CNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)cc1 301149778 CNGPZFAHDZZNOF-UHFFFAOYSA-N 441.875 4.001 5 20 IIBD O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N(Cc1ccccn1)c1ccc(Cl)cc1 303416988 SRBUOQJGUKKQDM-UHFFFAOYSA-N 434.843 4.071 5 20 IIBD O=C(CCSCc1cccc(C(=O)NCc2ccco2)c1)Nc1ccccc1[N+](=O)[O-] 409845954 BYDZXNVOFWTNKB-UHFFFAOYSA-N 439.493 4.380 5 20 IIBD C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 425964753 HCPYFFRHHBPTEV-LBPRGKRZSA-N 426.304 4.076 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 427475464 DVBNPDIDELXJMF-INIZCTEOSA-N 437.525 4.136 5 20 IIBD CCN(CC)CCCNC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C)cc1Cl 428406663 UYLBDLYIEHGBQB-UHFFFAOYSA-N 446.935 4.271 5 20 IIBD O=C(N[C@@H]1CCC[C@H]1OCc1ccccc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 430859329 HZXDXRAPIBGIDL-IEBWSBKVSA-N 438.402 4.404 5 20 IIBD COc1cc(CN(C)Cc2cn3c(n2)CCCC3)c([N+](=O)[O-])cc1OCc1ccccc1 432814450 VQCMYVQWBXWZAS-UHFFFAOYSA-N 436.512 4.347 5 20 IIBD O=C(NCCCC(F)(F)F)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435843725 INKNLCUWSCVXTF-UHFFFAOYSA-N 433.433 4.205 5 20 IIBD C[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@@H](OC1CCOCC1)c1ccccc1 437342810 GXHBGKLVWYRMMS-QMHKHESXSA-N 439.512 4.224 5 20 IIBD O=C(N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 437431897 LEFHUNHXLFTZNG-CZIWCDLHSA-N 430.386 4.475 5 20 IIBD CC(C)Oc1ccc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(Cl)c1 438670691 LSFQKHKJQKVPLW-UHFFFAOYSA-N 433.892 4.411 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@H]2CC[C@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] 438681434 PBVBIIMGDGOOIA-UNWVZKJWSA-N 435.524 4.035 5 20 IIBD Cc1ccc(-c2csc3ncn(CCC(=O)Nc4ccc([N+](=O)[O-])c(C)n4)c(=O)c23)cc1 440412497 VPFXVTFELQHOBA-UHFFFAOYSA-N 449.492 4.074 5 20 IIBD CCC(C)(C)OCc1cccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1C 441844732 QNMGKHQSBLGBIK-UHFFFAOYSA-N 429.473 4.194 5 20 IIBD Cc1ccc(NC(=O)C(=O)Nc2cc(Br)cc(OC(C)C)c2)cc1[N+](=O)[O-] 442036880 WKTYSKJGWFJRFX-UHFFFAOYSA-N 436.262 4.030 5 20 IIBD O=C(Nc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1F)c1cccc(Cl)c1 442232188 AHOXMXYQTFEZLY-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD O=C(Nc1cc2c(cc1Cl)OCCCO2)c1sc(Br)cc1[N+](=O)[O-] 445249894 OTLJDNMOVIKLNA-UHFFFAOYSA-N 433.667 4.486 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1cccc(N2CCCCC2=O)c1 445837527 KQPVLBNUEPRBIL-UHFFFAOYSA-N 432.274 4.055 5 20 IIBD COc1ccc(N2C(=O)[C@@H](c3ccc(Br)cc3)N(C(C)C)C2=O)cc1[N+](=O)[O-] 445988790 BFBMXFAGFNCQAI-QGZVFWFLSA-N 448.273 4.284 5 20 IIBD O=C(CCc1nc(-c2ccccn2)no1)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] 446430212 SXBKOGWMBOWSOU-UHFFFAOYSA-N 445.435 4.190 5 20 IIBD O=C(Cc1cc(F)cc2c1OCOC2)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] 446430906 YTNDNCZYAKDPQL-UHFFFAOYSA-N 438.411 4.361 5 20 IIBD CC[C@H](NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1)c1cccc([N+](=O)[O-])c1 446676337 KMBQIQGGQPMZAI-IRXDYDNUSA-N 448.405 4.272 5 20 IIBD O=C1CCc2cc(-c3csc(NC(=O)N4CCc5ccc([N+](=O)[O-])cc5C4)n3)ccc2N1 446937830 FZCBYNNBMWWDAK-UHFFFAOYSA-N 449.492 4.193 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 447668035 FYTBVQRJNHUPOL-JTQLQIEISA-N 432.353 4.023 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 462925292 LQCUQOFBIWCVOF-SFHVURJKSA-N 443.931 4.192 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 463962092 CRQUSXXTQBKNMS-UHFFFAOYSA-N 431.880 4.143 5 20 IIBD Cc1ccc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1NC(=O)CCN(C)C 466236917 BOJPHMSZBMJPGQ-UHFFFAOYSA-N 426.517 4.343 5 20 IIBD Cc1coc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3I)c2)n1 467988702 PZJJTGSVIKBMID-UHFFFAOYSA-N 449.204 4.415 5 20 IIBD Nc1c(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)cccc1[N+](=O)[O-] 468702867 ORPPXPSQKRLORY-UHFFFAOYSA-N 449.442 4.159 5 20 IIBD COc1ccc(NC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)cc1[N+](=O)[O-] 469685436 WBPBQPLPYCSLON-MRXNPFEDSA-N 426.395 4.047 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)cc1SC 470826650 QFBQLMGCJBEKSY-KRWDZBQOSA-N 429.542 4.062 5 20 IIBD Cc1c(COc2ccccc2)cccc1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 471456926 BTXRNKHZGJUPBV-UHFFFAOYSA-N 429.436 4.315 5 20 IIBD COc1ccc(CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C(C)(C)C)c(OC)c1 472485100 KQBGURSWXTZRLQ-UHFFFAOYSA-N 438.484 4.239 5 20 IIBD C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 473536958 ZNVOCYHLOJWANT-AUMHUTNHSA-N 432.545 4.112 5 20 IIBD Cc1c(C(=O)N(C)[C@H](C)[C@H](C)c2ccc(Cl)cc2)nnn1-c1cccc([N+](=O)[O-])c1 474726408 GZWSGVQKOWZGFR-UONOGXRCSA-N 427.892 4.402 5 20 IIBD NC(=O)[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc(Br)c1 475430657 YDMWDLHXMNWGHM-SFHVURJKSA-N 446.326 4.402 5 20 IIBD COc1cc(CSc2n[nH]c(Cc3ccccc3)n2)c([N+](=O)[O-])cc1OCC(F)F 478756758 NFIFPCHNHVSERL-UHFFFAOYSA-N 436.440 4.249 5 20 IIBD Cc1ccc(NC(=O)COc2ccc(I)cc2[N+](=O)[O-])c(Cl)c1 478896560 ZHEHVQNDDNJUHC-UHFFFAOYSA-N 446.628 4.179 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](c1cc(F)cc(Br)c1)C1CC1 481736478 BEXXTCHHYRVDIG-LJQANCHMSA-N 436.281 4.484 5 20 IIBD O=C(NCCNc1ccccn1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 483971747 HOJFEWGPOBOLHZ-UHFFFAOYSA-N 425.876 4.097 5 20 IIBD C[C@H]1C[C@@H](NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C(=O)N1c1ccccc1 485736964 JXSNQPPVNJVDCZ-HTAPYJJXSA-N 445.475 4.098 5 20 IIBD COC(=O)c1cc(NC(=O)Cc2ccc(NC(=O)CC(C)(C)C)cc2)c(C)c([N+](=O)[O-])c1 485966088 ONOSWFJWBQIZTP-UHFFFAOYSA-N 441.484 4.246 5 20 IIBD O=C(c1cn(-c2ccc(Br)cc2)cn1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 486138041 YHLGQLNNEISGIP-UHFFFAOYSA-N 441.285 4.348 5 20 IIBD O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1cc([N+](=O)[O-])ccc1OC(F)F 487783461 PNQDCTBUSRVJBZ-UHFFFAOYSA-N 433.411 4.465 5 20 IIBD COc1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1c(Cl)cccc1[N+](=O)[O-] 488217238 YZVMQOUYQWIBIR-UHFFFAOYSA-N 439.921 4.044 5 20 IIBD C[C@H](Sc1nnc(-c2ccco2)n1Cc1ccco1)C(=O)Nc1ccccc1[N+](=O)[O-] 489430661 RORDGNZMJWUBKU-ZDUSSCGKSA-N 439.453 4.207 5 20 IIBD O=C(Nc1ccc(NC[C@H]2CCCO2)c(F)c1)c1cc([N+](=O)[O-])ccc1OC(F)F 489880459 DWDFYIIBRZQGNG-CYBMUJFWSA-N 425.363 4.179 5 20 IIBD O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)c1ccc([N+](=O)[O-])cc1Cl 489959203 UIVPEIUFWHRUPE-UHFFFAOYSA-N 433.855 4.426 5 20 IIBD Cc1cc(S(=O)(=O)N2C[C@@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)ccc1[N+](=O)[O-] 490455270 LEPXEKIIKPXPLO-ACJLOTCBSA-N 444.431 4.073 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3Cc4ccccc4C[C@H]3C(N)=O)cc2[N+](=O)[O-])cc1 493304832 XSRMNPDEAJIBDE-NRFANRHFSA-N 447.516 4.107 5 20 IIBD CC1CCN(CCCCNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 494249064 XGZNZSKLNLFALZ-UHFFFAOYSA-N 425.529 4.416 5 20 IIBD CS(=O)(=O)c1cccc(Nc2cccc(C[S@@](=O)C3CCCCC3)c2)c1[N+](=O)[O-] 497539333 NIBHCRCNYGTOBA-MUUNZHRXSA-N 436.555 4.323 5 20 IIBD CC(=O)N[C@@H](CC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)c1ccc(Br)cc1 498269669 ZNIOBROQKRBTDK-KRWDZBQOSA-N 434.290 4.180 5 20 IIBD CN(C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1cc(Cl)cc(Cl)c1 499472635 FFZWQYZFINXEEE-UHFFFAOYSA-N 438.296 4.458 5 20 IIBD COc1ccc([C@H]2C[C@H](NC(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)C2)cc1F 499787702 WHTXZXIZKIYRPO-QAQDUYKDSA-N 443.475 4.242 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 500525825 IPDYUZHZHBBMNX-OAQYLSRUSA-N 442.468 4.127 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1Sc1ccccc1 501131048 OQLLOZKEHFYSEB-INIZCTEOSA-N 435.505 4.181 5 20 IIBD COc1cc(C(=O)Nc2cc(Cl)ccc2-n2cccn2)c([N+](=O)[O-])cc1OC(F)F 502738476 HYMZONFEPNRTLP-UHFFFAOYSA-N 438.774 4.296 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](c1cncc(Br)c1)C1CC1 505366292 LMAPNVMDFKTGLR-GOSISDBHSA-N 433.306 4.088 5 20 IIBD COc1cc(COc2nc(-c3ccccc3Cl)no2)c([N+](=O)[O-])cc1OC(F)F 508835600 UDGQCYMDMTWOAB-UHFFFAOYSA-N 427.747 4.487 5 20 IIBD COc1cc(C(=O)Nc2ccc(Br)cc2Br)ccc1[N+](=O)[O-] 508870504 NUBGVVHPXWOJHU-UHFFFAOYSA-N 430.052 4.381 5 20 IIBD Cc1ccc2nc(COc3cccc(C(=O)NCCc4ccc([N+](=O)[O-])cc4)c3)cn2c1 509313120 GMSGIMZOWNQCAY-UHFFFAOYSA-N 430.464 4.102 5 20 IIBD C[C@H](O)[C@@H]1CCN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C1 509442623 RKWOFBYMKOTERU-GXTWGEPZSA-N 429.523 4.199 5 20 IIBD CC1CCN(c2ccc(C(=O)NCC3(c4ccccc4)CCOCC3)cc2[N+](=O)[O-])CC1 509457508 JTUDDCDFNRXGHT-UHFFFAOYSA-N 437.540 4.309 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 510418761 ZHQQSXUAXSILMQ-INIZCTEOSA-N 449.332 4.037 5 20 IIBD CC1CCN(c2ccc(C(=O)N(Cc3ccccc3[N+](=O)[O-])CC(F)(F)F)cn2)CC1 511311067 VVBODUDUDLDIBE-UHFFFAOYSA-N 436.434 4.431 5 20 IIBD C[C@H](c1nc(-c2cccs2)no1)N1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 512723314 RDGPMHIQCIOCFP-IEXSPKMKSA-N 425.514 4.098 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)CCNc1ncc(C(F)(F)F)cc1Cl 514719976 QVQDMEDVXHCNMH-UHFFFAOYSA-N 430.814 4.165 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CC[C@@H](Cc4ccccc4)C3)n2C[C@@H]2CCCCO2)c1 515002428 LJLDRFZHWAYCNY-REWPJTCUSA-N 447.539 4.491 5 20 IIBD CCCOc1cc(NC(=O)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1OCCC 515261333 BLGOVSKIOALVAU-BZUAXINKSA-N 435.521 4.052 5 20 IIBD COc1ccccc1CN(Cc1cccs1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 516763163 MOHLIURAIIXQAE-UHFFFAOYSA-N 436.486 4.195 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 517441110 LZTPOQRUEMASOF-GOSISDBHSA-N 437.258 4.337 5 20 IIBD CN(C(=O)c1cccc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 517579590 OOBMTCFRMMPURL-UHFFFAOYSA-N 441.447 4.309 5 20 IIBD COc1ccc(CSCC(=O)Nc2cncc(Cl)c2Br)cc1[N+](=O)[O-] 518829972 JNAQQVQNYXJJGV-UHFFFAOYSA-N 446.710 4.286 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc(C)cc2-c2nc3ccccc3[nH]2)cc([N+](=O)[O-])c1 518906424 DRKMHLOSAURBFB-UHFFFAOYSA-N 430.420 4.485 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 521491414 QSBJBMWLFHKHNT-KRWDZBQOSA-N 442.859 4.244 5 20 IIBD CCN(CC)CC1CCN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 521801713 OBTCHSVSSPYGBK-SFHVURJKSA-N 439.560 4.357 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(=O)n(-c2ccccc2)n1 522672616 VVBWVAWVKSCUTQ-UHFFFAOYSA-N 428.404 4.185 5 20 IIBD CN(Cc1csc(Br)c1)C(=O)c1ccc([N+](=O)[O-])cc1Br 523509679 PSWYYNMJHXLTRV-UHFFFAOYSA-N 434.109 4.454 5 20 IIBD COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COc2ccc(F)cc2[N+](=O)[O-])cc1 524161665 KHDXWMQOUFIJEC-NRFANRHFSA-N 449.438 4.499 5 20 IIBD CCC[C@H](NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1cccc(C(F)(F)F)c1 524206304 CVWMFDRDRKOSAQ-KRWDZBQOSA-N 444.431 4.288 5 20 IIBD CCCN(C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@@H]1C[C@H](OCC)C1(C)C 525377209 OCHDHHQDTYDBNP-SJORKVTESA-N 430.448 4.261 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 530768418 DLOQTXFZXHSZFI-SFHVURJKSA-N 429.864 4.050 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1oc2ccc(F)cc2c1C 535701263 OXGOUMKALBXQNS-UHFFFAOYSA-N 446.456 4.374 5 20 IIBD Cc1cn2c(CN(C)C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)c(C)nc2s1 536300858 YQXOJVYRKFSNJS-UHFFFAOYSA-N 427.511 4.317 5 20 IIBD Cc1cc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)nn1-c1ccc(Cl)cc1 537571593 GDZOSIZLZIFDIM-UHFFFAOYSA-N 428.832 4.156 5 20 IIBD O=[N+]([O-])c1cc(CN2CCN(C[C@H]3CCOC3)CC2)ccc1Oc1ccccc1Cl 537623105 WCICPVSVABPRMT-GOSISDBHSA-N 431.920 4.195 5 20 IIBD CCOc1cc(NC(=O)N(Cc2ccccc2)CC(C)(C)O)c([N+](=O)[O-])cc1OCC 539440957 SUSVJSFRAYXVCR-UHFFFAOYSA-N 431.489 4.197 5 20 IIBD COc1ccc(CN2CC[C@@H](C3CCOCC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 539822730 JJTHOKZCYJFPJS-OAQYLSRUSA-N 426.513 4.431 5 20 IIBD O=C(c1cnc(Oc2ccccc2)cn1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 540251530 DDCHUFVFXMTGMF-UHFFFAOYSA-N 432.358 4.382 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CN[C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 541281448 DLDKCLGAXNCUPM-HSZRJFAPSA-N 435.480 4.390 5 20 IIBD COc1cc(Br)ccc1CCCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 541308431 HKFGWURHHVMDNT-UHFFFAOYSA-N 427.682 4.382 5 20 IIBD O=C(NCCc1nnc2n1CCCCC2)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 541639396 PWIAQMIWXLIUDL-UHFFFAOYSA-N 443.573 4.168 5 20 IIBD CCC(CC)(CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])N[C@H](C)c1ccccc1 542120832 DBAMCJVQZMKHME-CQSZACIVSA-N 425.576 4.381 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccc(O)c(Br)c1 542395622 VVMAKSGIZNXXLA-UHFFFAOYSA-N 431.695 4.125 5 20 IIBD C[C@@H](C(=O)Nc1cccc(NC(=O)CCN2CCCCC2)c1)c1ccc([N+](=O)[O-])cc1F 542552714 OQXDROFJLQRCGJ-MRXNPFEDSA-N 442.491 4.291 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCn3c(nnc3C3CCCC3)C2)cc1OC 542914705 GABMYWLJNGCMDM-INIZCTEOSA-N 443.548 4.293 5 20 IIBD CCC[C@@H](C)NS(=O)(=O)Cc1cccc(NCc2ccc([N+](=O)[O-])cc2Cl)c1 543395373 DAUXHURBCXLGFB-CQSZACIVSA-N 425.938 4.468 5 20 IIBD O=C(CCCCCNC(=O)NC1CCCCC1)Nc1cc(Cl)cc([N+](=O)[O-])c1O 544660673 MTDDPMPBXOYINS-UHFFFAOYSA-N 426.901 4.085 5 20 IIBD O=c1oc2cc([N+](=O)[O-])ccc2n1CCCc1nc(CSc2ccc(Cl)cc2)no1 544906732 UGJOXHMKFXOKQY-UHFFFAOYSA-N 446.872 4.464 5 20 IIBD O=[N+]([O-])c1ccc(NCCCc2nc(Cc3ccc(Oc4ncccn4)cc3)no2)cc1 545659313 NXEMYZFEXRKEDS-UHFFFAOYSA-N 432.440 4.196 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(OCC(=O)NC3CC3)c2)no1 545682898 JIECHZDULPDRNK-CYBMUJFWSA-N 440.481 4.156 5 20 IIBD CC(=O)N[C@H](Cc1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1)c1ccc(Cl)cc1 546557092 BOTOHENVJWKIGT-LJQANCHMSA-N 439.859 4.123 5 20 IIBD Cc1sc(S(=O)(=O)N2CCCC[C@H]2c2ncc(-c3ccccc3)[nH]2)cc1[N+](=O)[O-] 560059888 KSRYNQRIHIVZSG-INIZCTEOSA-N 432.527 4.271 5 20 IIBD CCOc1cc(Br)c(F)cc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 563846412 QBJWSAVOQSCJOB-UHFFFAOYSA-N 427.226 4.221 5 20 IIBD Cc1cccc([C@H](c2noc(CSc3ccc(C(N)=O)cc3[N+](=O)[O-])n2)C(C)C)c1 577542137 JOMNGNVEHPKSBU-LJQANCHMSA-N 426.498 4.465 5 20 IIBD COc1cccc(-c2nc(CN3CCN(c4cccc([N+](=O)[O-])c4)CC3)cs2)c1OC 603682681 FKAIQBYJRQIXKC-UHFFFAOYSA-N 440.525 4.058 5 20 IIBD COC(=O)c1sc2ccccc2c1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 609118271 RURMPQIOACWMGS-UHFFFAOYSA-N 425.466 4.100 5 20 IIBD O=C(Nc1nc(-c2ccccc2)cs1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 609496037 JHCAXXOBLBSSMZ-CQSZACIVSA-N 428.495 4.023 5 20 IIBD COc1ccc([C@@H](C)NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cc1Br 609547718 VTJGQYPFHIJKAJ-SNVBAGLBSA-N 446.257 4.111 5 20 IIBD COc1cc(CCNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)ccc1O 609635393 KFNFZGADZKBZMI-UHFFFAOYSA-N 445.522 4.198 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NC[C@H](O)CC(C)(C)C)cc1[N+](=O)[O-] 609772329 HYGLYWICNQVNAB-OAHLLOKOSA-N 430.526 4.075 5 20 IIBD CN(C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C(C)(C)c1ccc2c(c1)OCO2 609856967 KCWOTVSRAVCJSW-UHFFFAOYSA-N 440.374 4.272 5 20 IIBD Cc1nc([C@@H]2CCCCN2C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)no1 609975731 RXFZYOSODVQMOP-CLCXKQKWSA-N 427.505 4.136 5 20 IIBD C[C@@H]1C[C@H](N(C)C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 609978062 WDUOWJSEATZRPZ-XMSQKQJNSA-N 447.539 4.120 5 20 IIBD COc1ccc([C@@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])c2ccccc2Cl)cc1 610078426 HQSPDJUCNDEYQP-OAQYLSRUSA-N 425.872 4.235 5 20 IIBD O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 610223609 GCVJCZJHTJTDQU-GOSISDBHSA-N 436.295 4.464 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC(OCc2ccc(F)cc2)CC1 611262303 UMSWXOIRXGUKNX-UHFFFAOYSA-N 437.265 4.318 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(NC(=O)CN3CCCCCCC3)cc2)c1 727324773 OOJWNSCGCTWKMZ-UHFFFAOYSA-N 440.500 4.060 5 20 IIBD O=C(c1ccc(I)c([N+](=O)[O-])c1)N(C1CC1)[C@@H]1CCc2ccccc21 728152821 VIXVCLJKSPSJMD-QGZVFWFLSA-N 448.260 4.492 5 20 IIBD CCCCN1C(=O)C[C@@H](C(=O)OCc2c(F)cccc2[N+](=O)[O-])[C@@H]1c1ccc(OC)cc1 728988671 URWBXPMPCOQUOX-VGSWGCGISA-N 444.459 4.176 5 20 IIBD CC(C)CCSc1ccc(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)cc1[N+](=O)[O-] 733158075 KBPIRBWBQGMWCH-LJQANCHMSA-N 435.590 4.106 5 20 IIBD COc1cc(COC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c([N+](=O)[O-])cc1OC(F)F 736867002 QSBGIANBKNHRHB-UHFFFAOYSA-N 432.719 4.123 5 20 IIBD O=C([C@@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1)N1CCc2c1cccc2[N+](=O)[O-] 737581837 KBGUEXXAMMQNRO-ZRFOIIEFSA-N 439.899 4.232 5 20 IIBD CC(C)(C)OC(=O)N1CCc2nc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)sc2C1 739497011 CVPKHTVFSLOZJY-UHFFFAOYSA-N 446.529 4.261 5 20 IIBD C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 741445500 MMFBHDMFODWBPM-SECBINFHSA-N 431.659 4.417 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2cccc3c[nH]nc23)c2ccccc2)c([N+](=O)[O-])c1 746951125 JWUHMQNTERPKIC-NRFANRHFSA-N 430.420 4.316 5 20 IIBD CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)OCc1ccc([N+](=O)[O-])cc1F 746980511 WVQSYNCTIQJSMS-CYBMUJFWSA-N 441.502 4.142 5 20 IIBD Cc1ccc(-c2csc(NC(=O)[C@H](C)NC(=O)OCc3ccccc3)n2)cc1[N+](=O)[O-] 747293761 HPLBKROZVBAUTD-AWEZNQCLSA-N 440.481 4.280 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccc(NC(=O)NC2CC2)cc1 751086167 FOJAHOIVESSDES-LLVKDONJSA-N 447.289 4.132 5 20 IIBD COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC1CCCC1 751974404 BBJPSRCVLXPYST-HNNXBMFYSA-N 442.468 4.417 5 20 IIBD CC(C)[C@H](CO)N(Cc1ccccc1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 755030433 RBVTXGIEEOYSPD-SFHVURJKSA-N 436.306 4.408 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2c[nH]nc2-c2ccccc2Cl)cccc1[N+](=O)[O-] 756607262 XLHAGOUUWWCTOW-LBPRGKRZSA-N 428.832 4.131 5 20 IIBD COc1ccc(CNC(=O)N2CCC[C@H]2c2c(C)nn(CC(C)C)c2Cl)cc1[N+](=O)[O-] 760157861 FEMODVIBIVPERB-INIZCTEOSA-N 449.939 4.464 5 20 IIBD Nc1c(Cl)cc(NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1Cl 760340796 WTWQRRLXVPGEKO-UHFFFAOYSA-N 441.090 4.047 5 20 IIBD CCOc1ccc(Br)cc1-c1noc(Cn2ncc3ccc([N+](=O)[O-])cc32)n1 761764021 BUGMETOOJKVDOL-UHFFFAOYSA-N 444.245 4.204 5 20 IIBD CN(C)C1CCN(c2ccc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)cc2)CC1 762472199 OUOAGCZFUJMXTP-UHFFFAOYSA-N 428.508 4.181 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1noc(-c2cccc(Cl)c2)n1 763810244 LUSUGYZHEINENK-UHFFFAOYSA-N 449.872 4.394 5 20 IIBD O=C(OCc1ccccc1)N1CCC(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 764080487 VJDVMKBIGXEVTJ-UHFFFAOYSA-N 437.496 4.135 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1c(Cl)nc2sccn12 764563642 LTVVRSUBLDQUAT-UHFFFAOYSA-N 427.891 4.053 5 20 IIBD O=[N+]([O-])c1cccc2c1CCCN2Cn1nc(-c2ccncc2)n(Cc2ccco2)c1=S 766356731 FYXSTJCMYLBQGL-UHFFFAOYSA-N 448.508 4.436 5 20 IIBD C[C@@H]1CCC[C@@H](OCCCCCC(=O)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 766626626 UTJYDHZCXVEMKM-HUUCEWRRSA-N 446.953 4.209 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 767875377 HPOKQOIKUJEKCC-OAHLLOKOSA-N 437.418 4.440 5 20 IIBD C[C@@H](Cc1noc(Cn2c3ccccc3c(=O)c3ccccc32)n1)N(C)C(=O)OC(C)(C)C 771119724 IUFSVVYOTLLTLK-INIZCTEOSA-N 448.523 4.384 5 20 IIBD C[C@H](Cc1noc(Cn2c3ccccc3c(=O)c3ccccc32)n1)N(C)C(=O)OC(C)(C)C 771119726 IUFSVVYOTLLTLK-MRXNPFEDSA-N 448.523 4.384 5 20 IIBD C[C@H](OC(=O)[C@H](C)c1cn(C)c2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 772837563 BEUGEHUXYNLOSB-OLZOCXBDSA-N 429.860 4.414 5 20 IIBD Cc1cc(OS(=O)(=O)c2c(Cl)cc(F)cc2Br)c(F)cc1[N+](=O)[O-] 774888130 ULSCRTSXYHIGHB-UHFFFAOYSA-N 442.621 4.365 5 20 IIBD O=C(O[C@H]1CCO[C@]2(CCOC2)C1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 774938348 CWNLJIJSOLWIMU-HTAPYJJXSA-N 446.887 4.355 5 20 IIBD CC(C)CC(=O)Nc1ccc(C(=O)COC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc1 778166722 UEYCQDXOMGSPGS-UHFFFAOYSA-N 434.395 4.097 5 20 IIBD O=C(Cc1csc(Cc2ccccc2)n1)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 778812865 FLZUDNVFBQRHJE-SFHVURJKSA-N 441.484 4.146 5 20 IIBD Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 781688994 KLMWTVINCMKDHD-AVRDEDQJSA-N 427.457 4.028 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 783932015 IHHKITHUURDJFZ-IBGZPJMESA-N 426.901 4.407 5 20 IIBD COc1ccc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c(OCc2ccccc2)c1 783959015 OMJQCCSBXXKZIM-UHFFFAOYSA-N 432.429 4.122 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](c2cccc(C(F)(F)F)c2)C1 784483288 ODZOVCVPGXUFAH-HNNXBMFYSA-N 437.418 4.440 5 20 IIBD COc1ccc(Br)cc1COC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 786786752 TYJSFMUGFYFYAL-UHFFFAOYSA-N 447.241 4.036 5 20 IIBD CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)OCc1ncc(C)c([N+](=O)[O-])c1C)O[C@H](C)C2 789437580 NIQZPPGAEMCYQL-SKDZVZGDSA-N 426.469 4.176 5 20 IIBD O=C(Nc1cccc(OS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c1)c1ccco1 795839950 SVDZRVZJFGKBHF-UHFFFAOYSA-N 440.792 4.000 5 20 IIBD Cc1sc(Br)c(C(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c1C 799543662 RXAOYZJIOYBVAT-VIFPVBQESA-N 427.276 4.220 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)O[C@@H]2CCN3CCC[C@@H]3C2)cc1[N+](=O)[O-] 810848367 TXRFFQJWIADIEG-IAGOWNOFSA-N 440.521 4.331 5 20 IIBD O=C(N[C@@H]1COc2ccccc2[C@H]1O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 811581400 PGOREDKISFEWBO-WIYYLYMNSA-N 428.510 4.102 5 20 IIBD Cc1ccc([C@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@H](C)S(C)(=O)=O)cc1 813237388 CDHOLHGOZBRCKQ-MEDUHNTESA-N 445.324 4.114 5 20 IIBD C[C@@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCCOC2=O)cc1 814305160 FSFOFVPQUCZLNU-QGZVFWFLSA-N 440.500 4.325 5 20 IIBD CC(=O)c1cc(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cs1 815063308 ZKILMEQUTGWBJW-KRWDZBQOSA-N 430.482 4.101 5 20 IIBD CC(C)S(=O)(=O)c1ccccc1C(=O)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F 815189849 NMLIOQFBJWXPOQ-UHFFFAOYSA-N 431.388 4.153 5 20 IIBD COc1ccc(C(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1OC 815510549 BAZCMHKEGGVCPV-JTQLQIEISA-N 427.331 4.059 5 20 IIBD C[C@@H](N[C@H](C)c1ccc(Br)cc1OCCCO)c1ccc(N)c([N+](=O)[O-])c1 815627490 BYWVBMNCYCYWIT-CHWSQXEVSA-N 438.322 4.113 5 20 IIBD O=c1c2c3c(sc2ncn1Cc1c(Br)cccc1[N+](=O)[O-])CCCCC3 915668536 UFWKHGYDUDGLEX-UHFFFAOYSA-N 434.315 4.446 5 20 IIBD CCOc1ccc([C@@H]2CCCN2C(=O)COC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 918854879 KBGCNWFOKGWXMT-IBGZPJMESA-N 432.860 4.167 5 20 IIBD CC(C)OCc1ccccc1CNC(=O)COC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 918991383 VBWQGWVFNYDEMF-UHFFFAOYSA-N 442.493 4.208 5 20 IIBD CC(C)COC(=O)Nc1cccc(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 920233073 PCUWHMPYUMDPRS-UHFFFAOYSA-N 441.488 4.153 5 20 IIBD CC(C)Cn1ccc2cc(NC(=O)[C@@H]3CC(=O)N(c4ccc(F)c([N+](=O)[O-])c4)C3)ccc21 921015856 GPFPFMLOZDMMGP-MRXNPFEDSA-N 438.459 4.336 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)CCNc1ccccc1)c1cccc([N+](=O)[O-])c1 1115877623 ZITXRUONVNSMKB-FQEVSTJZSA-N 425.485 4.025 5 20 IIBD O=c1c2ccccc2c(-c2nnc(-c3ccc([N+](=O)[O-])cc3F)o2)nn1Cc1ccccc1 1117192935 SNNUXKHFVJLPJZ-UHFFFAOYSA-N 443.394 4.209 5 20 IIBD O=[N+]([O-])c1ccc(I)c(-c2nnc(CCCc3ccccc3)o2)c1 1257826189 VFDURUGHBIBFRU-UHFFFAOYSA-N 435.221 4.425 5 20 IIBD O=C(CSc1nccn1-c1ccc(C(F)(F)F)cc1)N1Cc2ccc([N+](=O)[O-])cc2C1 1318838884 NKWLJIHHPDVKKC-UHFFFAOYSA-N 448.426 4.434 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N(Cc2ccccc2)[C@H](C)CO)cc1[N+](=O)[O-])c1ccccn1 1321852548 DNIQDFXEPAHSGF-QZTJIDSGSA-N 434.496 4.186 5 20 IIBD O=[N+]([O-])c1ccc(N2CCCCC2)c(-c2nnc(COc3ccccc3[N+](=O)[O-])o2)c1 1322204706 FRQOPPPEAZQFJU-UHFFFAOYSA-N 425.401 4.122 5 20 IIBD COc1cc(OC)cc(C2(F)CCN(C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])CC2)c1 1526703974 DVPYIUAEODKKBK-UHFFFAOYSA-N 433.436 4.113 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccc([N+](=O)[O-])o4)cc3)CCC2)cn1C 1786204722 PBUGJFUPFUBDCU-CSKARUKUSA-N 448.479 4.296 5 20 IIBD CN(C)c1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])o4)CCC3)cc2)cc1 1790296063 QRRZUDRCKMNAGW-UHFFFAOYSA-N 448.479 4.315 5 20 IIBD O=C(CCc1ccoc1)NC1(c2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2)CCC1 1790622538 COVBHSRJWWCJLK-UHFFFAOYSA-N 449.463 4.274 5 20 IIBD CC(C)(C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1)c1ccccn1 1791760885 CKNOYMSXDQAEAE-UHFFFAOYSA-N 448.479 4.308 5 20 IIBD CCCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C3)cc1 1799763613 XIRGSYFXHNIREH-KOUNCHBCSA-N 435.524 4.042 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)c1cccs1)C2 1800698854 HRFFXUUNCUBMLP-JONQDZQNSA-N 445.516 4.159 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2)[nH]n1)c1cc(F)cc([N+](=O)[O-])c1 1821166653 BDMHQMGLLNNTKV-LJQANCHMSA-N 437.431 4.077 5 20 IIBD CC(C)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)n[nH]1 1821843969 LXURHBUMKSUWKS-IBGZPJMESA-N 445.495 4.128 5 20 IIBD C[C@@H]1C[C@@]1(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830224034 OMHSULWYPGGTQM-ZFUCPZCZSA-N 431.508 4.013 5 20 IIBD CC(C)C1(C(=O)N2CCCC23CN(C(=O)c2cc4cc([N+](=O)[O-])ccc4s2)C3)CCC1 1846747029 GARRXSQFWWBERI-UHFFFAOYSA-N 441.553 4.453 5 20 IIBD O=C(COC(=O)CCc1ncc(-c2ccccc2)o1)Nc1ccc([N+](=O)[O-])cc1Cl 11942406 IVANLEATRBKVPG-UHFFFAOYSA-N 429.816 4.018 5 20 IIBD C[C@@H](OC(=O)c1ccc(Br)cc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 18612863 HRSNGGPLDVBAKW-SECBINFHSA-N 436.193 4.464 5 20 IIBD O=C(COC(=O)CSc1nc2ccccc2s1)Nc1ccc(Cl)c([N+](=O)[O-])c1 22030079 NAICOSJDQJCABJ-UHFFFAOYSA-N 437.886 4.132 5 20 IIBD Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F 28302177 BUHWBNQAYRRLKS-UHFFFAOYSA-N 433.779 4.146 5 20 IIBD COC(=O)c1cc(-c2csc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)n2)c[nH]1 30986310 MQZBYBBIYZNQOY-UHFFFAOYSA-N 428.451 4.300 5 20 IIBD CN(CCNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C1CC1 58857221 GDBBNWFJRJPQTJ-VKAVYKQESA-N 436.537 4.346 5 20 IIBD CCOc1ccc(Oc2ccc(NC(=O)C(=O)NCc3ccccc3[N+](=O)[O-])cc2)cc1 62032773 LYEYQFMWZNSUSY-UHFFFAOYSA-N 435.436 4.041 5 20 IIBD Cn1ccnc1Sc1ccc(F)cc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 109979638 DUWFEHOZMCUDLE-UHFFFAOYSA-N 425.445 4.212 5 20 IIBD Cc1c(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 110766830 XAHPGJBTOHBYRL-UHFFFAOYSA-N 446.847 4.343 5 20 IIBD CN(CCc1ccc(Br)cc1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 112563436 LRLAXWMBEAYUOQ-UHFFFAOYSA-N 426.698 4.124 5 20 IIBD COc1cccc(CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C2CCC(O)CC2)c1 116645264 GKWSWQNFHIKXAJ-UHFFFAOYSA-N 447.919 4.001 5 20 IIBD O=c1c(Cl)c(N2CCO[C@H](c3ccccc3Cl)C2)cnn1-c1ccc([N+](=O)[O-])cc1 301203024 QFTJBBVRCXWXFP-SFHVURJKSA-N 447.278 4.025 5 20 IIBD Cc1nn(C)c(Sc2nnc(Nc3ccc(OC(F)(F)F)cc3)s2)c1[N+](=O)[O-] 301293456 RBQNXPBQQNKHQR-UHFFFAOYSA-N 432.409 4.282 5 20 IIBD O=C1CCCN1CC[C@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])c2ccccc21 301667606 MRRFFQGULNEUDC-ZDUSSCGKSA-N 431.290 4.000 5 20 IIBD CS(=O)(=O)c1ccc(N2CCC(Sc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 301810370 ZELMFVHULPNEGE-UHFFFAOYSA-N 426.947 4.413 5 20 IIBD Cc1ccc(-c2csc(NC(=O)c3ccc4c(c3)NC(=O)[C@H](C)N4C)n2)cc1[N+](=O)[O-] 431910577 WCEBQIQJXMNLPO-LBPRGKRZSA-N 437.481 4.056 5 20 IIBD Cc1ccc([C@H](C)N2C(=O)CN(Cc3cccc(Br)c3)C2=O)cc1[N+](=O)[O-] 431942259 YXZLLTJIZURHHZ-ZDUSSCGKSA-N 432.274 4.191 5 20 IIBD COc1ccccc1-c1noc(C2CCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)CC2)n1 432431455 OPNGMHWRLBGYPS-UHFFFAOYSA-N 447.451 4.155 5 20 IIBD COc1cc(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cc([N+](=O)[O-])c1OC 435381732 VNCHYZIOSFDHMZ-JTQLQIEISA-N 445.419 4.107 5 20 IIBD O=C(NCc1nc(-c2cccs2)no1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436315318 SXQGGPCVZKKAQL-UHFFFAOYSA-N 438.415 4.001 5 20 IIBD COC(=O)C[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccc(SC)cc1 436325610 ZHUZBCSNDYRNAV-QFIPXVFZSA-N 446.528 4.437 5 20 IIBD O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(O)c([N+](=O)[O-])c1 436625625 FTQFFAZZIJQUTC-UHFFFAOYSA-N 447.856 4.007 5 20 IIBD CC[C@H]1Oc2cc([C@H](C)NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)ccc2NC1=O 437017994 LFPHLRMCLVRFQZ-MGPLVRAMSA-N 437.374 4.214 5 20 IIBD O=C(Nc1ccc2nc(C3CC3)sc2c1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 437064199 SVMUUOPEODKRDA-UHFFFAOYSA-N 436.493 4.212 5 20 IIBD COCCOc1cc(C)ccc1NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 437809503 ZLZGIMFFYZUCCK-UHFFFAOYSA-N 429.473 4.004 5 20 IIBD CCN(Cc1cccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1)C(C)=O 437915752 NCWIHHAVRKUDII-UHFFFAOYSA-N 440.500 4.039 5 20 IIBD O=C(C1CC1)N1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 438266532 MFMORSFKHHCNPF-UHFFFAOYSA-N 448.317 4.062 5 20 IIBD CCOc1cc(CNc2ncccc2Cl)ccc1OCCn1c([N+](=O)[O-])cnc1C 438930484 XWKVLWTUJMPUPN-UHFFFAOYSA-N 431.880 4.238 5 20 IIBD Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1cc(Br)cc2c1OCC2 438947494 KQXIKZNCEMSHNN-UHFFFAOYSA-N 425.666 4.184 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCc2cc(OCC)c(OCC)cc2C1 439878402 LPONHRIKVVMBET-UHFFFAOYSA-N 429.473 4.381 5 20 IIBD CSc1ccc(-c2nsc(NC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)n2)cc1 440473622 OIBLFDJNDYTHSC-UHFFFAOYSA-N 438.494 4.273 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NCCCC(F)(F)F 440523799 ZUKGAIQCYUFIKP-UHFFFAOYSA-N 432.402 4.449 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@H](Oc2ccccc2Cl)C1 443740673 BNTRKBTYRQVOND-LBPRGKRZSA-N 431.297 4.134 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 444090861 SRCBPTKZKAQHDY-NSHDSACASA-N 431.802 4.079 5 20 IIBD Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 444603827 XRDAZAVLSJYGEY-CQSZACIVSA-N 443.809 4.096 5 20 IIBD CCCS(=O)(=O)Cc1noc(-c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)n1 445459229 YSNWIJAYYMYILL-UHFFFAOYSA-N 433.511 4.429 5 20 IIBD Cc1ccc(-n2nc(C)cc2NC(=O)Cc2noc(/C=C/c3cccc([N+](=O)[O-])c3)n2)cc1 445506918 SLVUFXNKRBJVHZ-DHZHZOJOSA-N 444.451 4.132 5 20 IIBD CC[C@H](NC(=O)Cc1noc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1)c1ccccc1 445719602 BESGWJGJKVXBBK-SFHVURJKSA-N 435.484 4.055 5 20 IIBD CCOC(=O)[C@H]1CN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])Cc2ccccc21 447673511 YHYVDSSZTOZMMR-ZDUSSCGKSA-N 445.344 4.311 5 20 IIBD CCCCN(C)C(=O)C1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC1 447676010 DEPVWXHCMVYSJU-UHFFFAOYSA-N 438.397 4.119 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CC[C@H](CN3CCCCC3)C2)cc1[N+](=O)[O-])c1ccccn1 461439166 PGBGZGGGLCVQGH-RBUKOAKNSA-N 437.544 4.111 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H](CN3CCCCC3)C2)cc1 461451617 WANPOAAYBRAPBM-GOSISDBHSA-N 439.512 4.344 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1O 462101270 KNOIQWDQONZFGM-UHFFFAOYSA-N 431.175 4.427 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N(Cc1cccnc1)Cc1ccco1 462443530 FOQILNNMCYRWJY-UHFFFAOYSA-N 442.280 4.281 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(-c2ccc(Cl)cc2)nn1CCO 462514818 VQLSQWUZZFUILP-MRXNPFEDSA-N 442.903 4.311 5 20 IIBD CCc1cc(=NC(=O)c2ccc(SCc3nc(C)no3)cc2)c2cc([N+](=O)[O-])ccc2[nH]1 462602222 CUZVUAFIYGLYKK-UHFFFAOYSA-N 449.492 4.363 5 20 IIBD C[C@@H]1CCN(C(=O)CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c2ccccc2S1 464780856 XOQBAIPWFHNTEO-QGZVFWFLSA-N 441.553 4.356 5 20 IIBD Cc1ccc(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c(O[C@H]2CCOC2)c1 467350254 OLMUADFJDRVGAK-SFHVURJKSA-N 439.493 4.124 5 20 IIBD C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1cc2cc(Br)ccc2[nH]1 468032364 AVTKOWXVZHHVKL-GFCCVEGCSA-N 431.290 4.346 5 20 IIBD CN(C[C@H](O)C(F)(F)F)C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 468331801 WPBKCXYUCBATKJ-HNNXBMFYSA-N 434.823 4.395 5 20 IIBD C[C@@H](O)C[C@@H]1COCCN1C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 468671240 GREMAUZPYZCVIO-UKRRQHHQSA-N 436.917 4.011 5 20 IIBD CC(C)(C)OC(=O)CCc1cccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1 470672919 YHANCSCXXVFPFN-UHFFFAOYSA-N 436.468 4.307 5 20 IIBD CSc1ccc(C(=O)Nc2ccccc2N2CCC(CN(C)C)CC2)cc1[N+](=O)[O-] 471233418 ATPCEQXLSSNWQH-UHFFFAOYSA-N 428.558 4.347 5 20 IIBD Cc1ccc(CNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c(O[C@H](C)CC(C)C)c1 472606787 FNPFYALGLPLAKA-OAHLLOKOSA-N 431.464 4.111 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H](CO)Cc1cccc(OC(F)(F)F)c1 475557464 YDZDVKFBYQYROI-HNNXBMFYSA-N 441.406 4.083 5 20 IIBD COc1c(C(=O)NC[C@H](C)Sc2ccc(Br)cc2)cccc1[N+](=O)[O-] 475762360 MTUZUKMVVVKOCF-NSHDSACASA-N 425.304 4.277 5 20 IIBD Cn1cc(C(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)c(-c2ccc([N+](=O)[O-])cc2)n1 477790487 MIJLTFHDCDXKRE-IBGZPJMESA-N 442.422 4.404 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 479356421 XUGFIMHEQUZJFU-GOSISDBHSA-N 439.443 4.174 5 20 IIBD COc1cc(C(=O)Nc2cc(C)nn2-c2ccc(C(F)(F)F)cn2)cc([N+](=O)[O-])c1C 480037887 PWZQVHMYHPDISL-UHFFFAOYSA-N 435.362 4.072 5 20 IIBD COC(=O)c1cc(OCc2csc(N(C(C)=O)c3ccccc3)n2)ccc1[N+](=O)[O-] 481901923 VLORLOZVFYSKPA-UHFFFAOYSA-N 427.438 4.102 5 20 IIBD CN(C)C(=O)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CCCC1 486845709 QLLNZVRSUIRWOM-UHFFFAOYSA-N 427.526 4.124 5 20 IIBD Cc1ccc(-c2csc(NC(=O)C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)n2)cc1C 493962571 VLDIJEOGIJWWJX-HNNXBMFYSA-N 438.509 4.459 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc([S@@](C)=O)c(F)c3)cc2[N+](=O)[O-])C1 495334266 VKAHBULWYRUWJJ-FZTYZDATSA-N 433.505 4.206 5 20 IIBD COc1cc(C(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)cc([N+](=O)[O-])c1OC 498017494 XQGJDIQAAATLTN-CQSZACIVSA-N 449.301 4.079 5 20 IIBD C[C@H](Nc1ccc(C(=O)N(CCN(C)C)C2CCCC2)cc1[N+](=O)[O-])c1ccccn1 498454127 LODHHHDHVDTYSR-KRWDZBQOSA-N 425.533 4.109 5 20 IIBD COc1cc(C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)c([N+](=O)[O-])cc1OC 498478194 UMOVSWYDMWRTDL-UHFFFAOYSA-N 435.436 4.425 5 20 IIBD CC(C)Oc1ccc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])c(C(F)(F)F)c1 499288040 AODMMZLIPOJGSI-UHFFFAOYSA-N 432.420 4.385 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C)[C@H](C)c1ccccc1C(F)(F)F 501614559 FLPFYIPTXLGVGL-MKBNYLNASA-N 441.454 4.154 5 20 IIBD Cc1ccc(Sc2ccc(CN3CCC[C@H](S(C)(=O)=O)CC3)cc2[N+](=O)[O-])cc1 503095518 FFNSHRYIURZYKV-IBGZPJMESA-N 434.583 4.454 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2 503630570 WHTNXKKHLAXUBS-ROUUACIJSA-N 431.439 4.314 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NC[C@@H]3CCCn4cc(C)nc43)cc2[N+](=O)[O-])n1 505904795 WHUJGOSJZAYUBR-HNNXBMFYSA-N 443.554 4.323 5 20 IIBD C[C@H](NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccc(NC(N)=O)cc1 507056482 YTBOQUDZIYIHBT-LSDHHAIUSA-N 448.483 4.145 5 20 IIBD CCOc1ccc(C2=CCN(C(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CC2)cc1 509604310 VNUMFUXHTSDYSV-UHFFFAOYSA-N 432.480 4.324 5 20 IIBD CCCOc1cc(NC(=O)N2CCC[C@H](N3CCCC3)C2)c([N+](=O)[O-])cc1OCCC 509744223 DQJHBEYTGGADQB-KRWDZBQOSA-N 434.537 4.265 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H](C[C@H]1CCOC1)c1ccccc1 510003833 FJUBFIDRSVHICO-AUUYWEPGSA-N 433.302 4.184 5 20 IIBD C[C@@H](NC1CCC(NC(=O)COc2ccc(Cl)cc2)CC1)c1cccc([N+](=O)[O-])c1 510013982 LOKGGDUVYUTHGK-VNCLNFNDSA-N 431.920 4.405 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@H](C)[C@@H]3CCCN(C4CCC4)C3)cc2[N+](=O)[O-])CC1 511271820 FUBYPCNJRFTLSQ-UYAOXDASSA-N 428.577 4.214 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)Cc3ccc4c(c3)OCO4)cc2[N+](=O)[O-])C1 512585489 CYDPFVMIBPMVBX-HZPDHXFCSA-N 425.485 4.078 5 20 IIBD CN(C)CCCOc1cnccc1CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 514629145 QJCDPZGUAAGNSH-UHFFFAOYSA-N 425.464 4.134 5 20 IIBD C[C@@H](Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 515715442 PUODUFPWSWBEPQ-OAHLLOKOSA-N 436.443 4.354 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(Cc1cc(Br)ccc1F)C1CC1 521157439 SUPUYPGWTISCRW-UHFFFAOYSA-N 443.294 4.158 5 20 IIBD COc1cc(CCNC(=O)C2(Sc3ccccc3)CCCC2)c([N+](=O)[O-])cc1OC 522581690 ZQFNVTLUDFQJIQ-UHFFFAOYSA-N 430.526 4.376 5 20 IIBD CCOc1ccc(Br)cc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 524468790 KDXGXXXINDAZRO-UHFFFAOYSA-N 431.246 4.194 5 20 IIBD Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 524653649 FBZNHWXMLIPMES-QFIPXVFZSA-N 440.500 4.353 5 20 IIBD CCCC(CCC)N(CC1C[C@@H]2CC[C@H](C1)N2C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 524944380 VQVUKSNPDOFATJ-PRJVBOEPSA-N 437.606 4.427 5 20 IIBD COc1cc(C(=O)Nc2cc(CC(C)(C)C)[nH]n2)c([N+](=O)[O-])cc1OCc1cscn1 525089413 KXRVCVRZIGPLCD-UHFFFAOYSA-N 445.501 4.203 5 20 IIBD Cn1nc(-c2ccncc2)cc1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 525261405 YANUPNQMASKGJX-UHFFFAOYSA-N 428.452 4.255 5 20 IIBD COc1cc(CNc2cccc(-n3ccnn3)c2)c([N+](=O)[O-])cc1OCc1ccccc1 531759263 ZQHIFLUCMAKSLK-UHFFFAOYSA-N 431.452 4.375 5 20 IIBD O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)c1 533486880 CINGACZNNVNVRT-QGZVFWFLSA-N 431.876 4.009 5 20 IIBD O=C(CCC1CCCCC1)N1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 536316359 ZGPKAGGGSYVICG-UHFFFAOYSA-N 426.517 4.255 5 20 IIBD CCN(Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@H](C)CS(C)(=O)=O 536683019 KPWNUPYHBOSPKB-CQSZACIVSA-N 426.922 4.296 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCNC(C)(C)c1ccccc1Br 538226724 XHXVEUYGBAUPIB-UHFFFAOYSA-N 436.306 4.219 5 20 IIBD O=C(Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)N1N=C(c2ccco2)C[C@@H]1c1ccco1 539273609 WGEKJGSMAXKJDA-MRXNPFEDSA-N 439.815 4.162 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)c1 541798405 FDTCXEFMTCCMRL-OAHLLOKOSA-N 431.514 4.027 5 20 IIBD CCCc1c(C(=O)N2CCc3c2cccc3[N+](=O)[O-])cnn1-c1cc(F)c(OC)cc1F 542190109 HAKPDULHEHJVAD-UHFFFAOYSA-N 442.422 4.223 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1 543200467 NWOVLPBSHKUGHQ-GFCCVEGCSA-N 427.379 4.105 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 543287109 GQTLRHXAIKGZQW-UHFFFAOYSA-N 435.362 4.130 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCOCC2(CCOCC2)C1 544331027 XMRKWFRGGDJDIY-UHFFFAOYSA-N 428.510 4.015 5 20 IIBD O=c1c2ccccc2n(Cc2nc(CCNc3ccccc3[N+](=O)[O-])no2)c2ccccc12 544526640 ZFKSUFRWBBYZKN-UHFFFAOYSA-N 441.447 4.149 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(c2nc([C@H](C)C(C)(C)C)no2)CC1 545713733 CNDAYPXTRZQXKK-AWEZNQCLSA-N 436.534 4.004 5 20 IIBD COc1cc(-c2noc(-c3c[nH]c4cc([N+](=O)[O-])ccc34)n2)ccc1OC[C@@H]1CCCO1 546277108 ZGIPNKSCNDVJDG-HNNXBMFYSA-N 436.424 4.360 5 20 IIBD COc1ccccc1-c1ccc([C@@H](C)NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1 546776703 ICFJPWIVMQLQDH-MRXNPFEDSA-N 426.494 4.451 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC(CCCN2CCCC2)CC1 550321217 NJNITQUPNSRSIU-UHFFFAOYSA-N 438.366 4.394 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1cccc(N2CCCC2=O)c1 550590195 KAKCZFVDNASLQX-ZDUSSCGKSA-N 446.301 4.284 5 20 IIBD CC(C)Sc1ccc([C@H](C)NC(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 553130598 WRLRTWLZFBFPQD-INIZCTEOSA-N 441.553 4.464 5 20 IIBD CSCC[C@H](NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1nnc2ccccn12 555422792 HIWIDULCGHSERL-HNNXBMFYSA-N 425.436 4.240 5 20 IIBD O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)NC1CCC2(CCCCC2)CC1 556555882 YOENDPPRYKNXJU-UHFFFAOYSA-N 438.322 4.305 5 20 IIBD COc1ccccc1[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCCC1 558842055 LNUDFYQZAGKHQU-SFHVURJKSA-N 437.418 4.189 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1ccc(Br)cc1F 562049273 CDJVHGZNHHRWOC-NSHDSACASA-N 440.269 4.184 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)NCCC(=O)Nc1cc(Cl)cc(Cl)c1 564362246 JPJSABKXEUUCLL-UHFFFAOYSA-N 428.297 4.139 5 20 IIBD CCOc1cc(CN[C@@H]2CC[C@@H](F)C2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 573478491 NZQFURJNWKIJSO-RTBURBONSA-N 446.475 4.419 5 20 IIBD Cc1ccc(CN2CC[C@H](CN(C)CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)s1 577324212 KEGJIVVNTHUPPX-GOSISDBHSA-N 430.574 4.056 5 20 IIBD COc1cc(CNCc2ccc3cnn(C)c3c2)ccc1OCc1ccc([N+](=O)[O-])cc1 581284280 QEGJYZQRFLKBIH-UHFFFAOYSA-N 432.480 4.359 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2c2nc(-c3ccnc(C(F)(F)F)c3)no2)ccc1[N+](=O)[O-] 581574827 OQEYVRWKYNCMOM-OAHLLOKOSA-N 447.373 4.344 5 20 IIBD O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1O)c1cnn(-c2ccccc2)c1C(F)(F)F 582454787 PZLHGHFYMPDGKY-UHFFFAOYSA-N 426.738 4.411 5 20 IIBD O=C(c1ccccc1[N+](=O)[O-])N1CCN(Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 584402091 UFTCATGDVYPSPE-UHFFFAOYSA-N 427.810 4.225 5 20 IIBD Cc1cc(OCc2nc(CC(=O)Nc3cccc(Cl)c3Cl)no2)ccc1[N+](=O)[O-] 584864899 GNDDVXGABVOPGG-UHFFFAOYSA-N 437.239 4.353 5 20 IIBD C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 588233240 KHPHIUIQFKPIFK-QZTJIDSGSA-N 438.528 4.419 5 20 IIBD CC(=O)c1ccc(Sc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)c([N+](=O)[O-])c1 603473019 HRQOJSMQAXDIJO-AWEZNQCLSA-N 430.511 4.448 5 20 IIBD CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 603931555 KTYARBKVBUFLKM-FQEVSTJZSA-N 440.496 4.193 5 20 IIBD Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 603982975 XESKXBLTTRYRQG-GASCZTMLSA-N 445.541 4.131 5 20 IIBD Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 603993045 JTLUDPKHFOQXGK-UHFFFAOYSA-N 447.495 4.213 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1[N+](=O)[O-] 604037688 KNJQCGHXBWODJD-UHFFFAOYSA-N 435.889 4.266 5 20 IIBD CC(C)[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(Cl)cc1 604139143 TUBWQXYCAIQRAX-INIZCTEOSA-N 441.818 4.302 5 20 IIBD CCOC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])ccc1Cl 604443652 HHDVTZAIQIXTOL-SNVBAGLBSA-N 427.240 4.484 5 20 IIBD CCn1c(SCCn2cnc3ccccc3c2=O)nc2cc3ccccc3cc2c1=O 604930674 BJATXKCPLRVIAX-UHFFFAOYSA-N 428.517 4.072 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](c1ccccc1)c1cc2ccccc2o1 608875151 KHUOTXPXYQFZBK-HJPURHCSSA-N 443.459 4.365 5 20 IIBD CCc1oc2ccccc2c1CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 609497905 UHQQALYYHREUFK-INIZCTEOSA-N 441.509 4.228 5 20 IIBD COc1ccc(CSCC(=O)N[C@H](C)c2nc(-c3ccncc3)cs2)cc1[N+](=O)[O-] 609526537 ZYZMOXANCCOFKK-CYBMUJFWSA-N 444.538 4.233 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCC2(O)CCCCCC2)cc1[N+](=O)[O-] 609887313 SDVAWDBMQIAYMB-UHFFFAOYSA-N 442.537 4.363 5 20 IIBD COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 609977913 CSEGUJIVKHUABO-KRWDZBQOSA-N 443.891 4.355 5 20 IIBD CC(C)(C(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1)c1ccc([N+](=O)[O-])cc1 610063413 FGVFLAZGYYCKKA-MRXNPFEDSA-N 438.459 4.468 5 20 IIBD Cc1ccc(-c2ncco2)cc1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 611150184 KEVGGYCJEWWBRZ-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD CCOC(=O)c1c(F)cccc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 611444426 STUXCWSWNQOVFH-UHFFFAOYSA-N 437.232 4.018 5 20 IIBD O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCCN(C[C@H]2CCCO2)CC1 619669051 MHNRZKFPCYNTST-GOSISDBHSA-N 441.553 4.073 5 20 IIBD CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Br 725985720 XDMRMIJXYJICIL-UHFFFAOYSA-N 449.301 4.341 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CC[C@H](O)c1ccc(C(C)(C)C)cc1 726870511 AVADSDYCLDOEOR-FQEVSTJZSA-N 428.485 4.196 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc(COc3ccccc3)cs2)ccc1Cl 727244674 VFBFVQISZYWCQF-UHFFFAOYSA-N 425.875 4.085 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 727385002 WASXRFVFRVXEJM-APWZRJJASA-N 434.537 4.081 5 20 IIBD COc1ccc(Br)cc1C(=O)CCC(=O)OCc1c(F)cccc1[N+](=O)[O-] 728986986 RFQYBSVVIFVCPW-UHFFFAOYSA-N 440.221 4.211 5 20 IIBD CC[C@H](C)[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])C(=O)Nc1cccc(N2CCCC2)c1 729369821 NIICADMBKUGMNP-BTYIYWSLSA-N 442.491 4.117 5 20 IIBD CCSc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 729656821 BWVQKZZIMHHCED-LLVKDONJSA-N 437.880 4.491 5 20 IIBD COc1cc(CS(=O)(=O)Cc2ccc(Cl)s2)c([N+](=O)[O-])cc1OC(F)F 729783663 VOPGLGUAGCCDDX-UHFFFAOYSA-N 427.834 4.035 5 20 IIBD O=C(Cc1nc(COC(=O)c2c(Cl)cccc2[N+](=O)[O-])cs1)Nc1ccccc1 730644393 CURUKRMKUZZSSS-UHFFFAOYSA-N 431.857 4.243 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)c([N+](=O)[O-])c1 731273116 YHFYENCZBZSRBW-PMACEKPBSA-N 434.448 4.432 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] 734415702 FGVZSAHFWQLOPD-UHFFFAOYSA-N 447.513 4.392 5 20 IIBD CCO[C@H](C)c1noc(COc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)n1 736604779 NEMFDCZSHTZQKB-CYBMUJFWSA-N 437.408 4.428 5 20 IIBD CC[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1I)C(=O)c1ccccc1 738609862 IXXHTONOISKKMT-HNNXBMFYSA-N 439.205 4.018 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(Cl)c1 740819203 LNSRTFNTTURYEU-GOSISDBHSA-N 449.891 4.139 5 20 IIBD O=[N+]([O-])c1cn(CN(Cc2cc(Br)ccc2F)C2CC2)nc1-c1ccncc1 742146772 KYPYBDXLXYMPRY-UHFFFAOYSA-N 446.280 4.377 5 20 IIBD C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1I)Sc1ccccc1 742787204 LRFREDYPSGBKFQ-NSHDSACASA-N 442.278 4.110 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[C@@H]1SCCc2ccccc21 744353773 DZXOXOOMPIGQAT-HXUWFJFHSA-N 438.509 4.412 5 20 IIBD O=C(OCc1ccccc1[N+](=O)[O-])[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 745504921 APOFFIAFKPZOHR-SFHVURJKSA-N 425.268 4.018 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 747414389 FTBBXNYTIWZPJV-GOSISDBHSA-N 426.366 4.339 5 20 IIBD CC(C)(C)OC(=O)Nc1cc2c(cc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)OCO2 750077433 OBUURGWBSRSYBB-RMKNXTFCSA-N 427.413 4.322 5 20 IIBD Cn1ncnc1-c1cccc(OC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 753291653 ZBBDJTMNBLPSAF-UHFFFAOYSA-N 438.387 4.107 5 20 IIBD Cn1ccnc1[C@@H](NC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 753586251 GPYSXSZZJGLNTL-CVDCTZTESA-N 443.548 4.045 5 20 IIBD COc1ccc(NC(=O)[C@@H](OC(=O)CCc2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 756536481 MQMSONULYCFBER-QHCPKHFHSA-N 434.448 4.459 5 20 IIBD CC(=O)N(c1nc(COC(=O)c2ccc([N+](=O)[O-])n2C)cs1)c1ccc(C)cc1C 761062645 WSEYDOSOYMGWQE-UHFFFAOYSA-N 428.470 4.048 5 20 IIBD COc1cc(Cc2noc([C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)ccc1[N+](=O)[O-] 762308778 MSKMKIXLPKYJKR-SNVBAGLBSA-N 434.792 4.279 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1c1noc(CCOc2ccc(Cl)cc2[N+](=O)[O-])n1 763354195 MXPPSKVDRGVPLE-ZDUSSCGKSA-N 438.868 4.325 5 20 IIBD O=C(O[C@@H]1CCCN(c2ccccc2F)C1=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 763696485 MXDUYQMYNKZTAU-MRXNPFEDSA-N 426.322 4.105 5 20 IIBD Cc1nc(-c2cccc(NC(=O)COC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)c2)cs1 763720858 ONDNACBWWRSPDJ-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N[C@H](C)C[C@@H](O)c2ccco2)c([N+](=O)[O-])c1 764166790 QRDDOCLLDSYSEG-JLTOFOAXSA-N 438.436 4.130 5 20 IIBD O=[N+]([O-])c1cccc2c1CCCN2Cn1nc(-c2ccccn2)n(Cc2ccco2)c1=S 766357552 HRKGRYKNJKZEQW-UHFFFAOYSA-N 448.508 4.436 5 20 IIBD CN(Cc1ccco1)C(=O)COC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 768095178 VKGYKOPZFIRMFP-UHFFFAOYSA-N 426.450 4.154 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCC(O)(c3ccccc3)CC2)cc1[N+](=O)[O-])c1ccccn1 768581797 WGKXADKNAMGGRT-GOSISDBHSA-N 446.507 4.287 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 768709398 ANWXJYHKHQGLEP-QGZVFWFLSA-N 437.924 4.500 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccc(Br)c(Cl)c1F 769517828 VZSDEHGXAGFARQ-UHFFFAOYSA-N 445.628 4.254 5 20 IIBD CCN(CC1CCN(c2ccccn2)CC1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 774639377 VWJULXAKJVITQN-UHFFFAOYSA-N 428.924 4.189 5 20 IIBD O=C(Nc1ccc(OC(F)F)c2cccnc12)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 775924847 NRGKIYDDFDZBTE-UHFFFAOYSA-N 443.410 4.099 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776138661 RFKYLIYMGCNSIH-QFIPXVFZSA-N 432.392 4.255 5 20 IIBD CSc1cccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1[N+](=O)[O-] 777075061 RPVLVCSNICSYOI-SECBINFHSA-N 439.833 4.062 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Oc1ccccc1C(=O)Nc1ccccc1 777945542 LHROINGLHWVOHS-UHFFFAOYSA-N 430.413 4.062 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCCSc3cc(C)ccc32)cc1OC 778273441 CAKJNBMRNNJBAI-UHFFFAOYSA-N 432.498 4.080 5 20 IIBD Cc1cc(Cl)ccc1O[C@H](C)C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 778662100 WXXZIRUJJZUKCV-LLVKDONJSA-N 427.240 4.159 5 20 IIBD O=C(CCCCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)OCc1ccccc1 781002792 KRXOBZCUGVTELF-UHFFFAOYSA-N 428.488 4.325 5 20 IIBD O=C(COC(=O)c1cccc([N+](=O)[O-])c1Br)Nc1ccc2ccccc2c1 781674176 BHYOYYNPWVMDIC-UHFFFAOYSA-N 429.226 4.306 5 20 IIBD Cc1occc1C(=O)Nc1nc(CC(=O)OCc2ccc(Cl)cc2[N+](=O)[O-])cs1 782362267 QHVZHSBYWONEMX-UHFFFAOYSA-N 435.845 4.144 5 20 IIBD Cn1cc(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 782426160 ZMVFLWLSBSNFIP-UHFFFAOYSA-N 435.318 4.175 5 20 IIBD C[C@H](OC(=O)c1ccc(I)c([N+](=O)[O-])c1)c1ccc(Cl)cn1 782645359 XTIPRQPBIVOWHI-QMMMGPOBSA-N 432.601 4.166 5 20 IIBD CC(C)C[C@@H](CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N[C@@H](C)c1ccccc1 783323223 JEZVFRKUURSIQE-RDJZCZTQSA-N 446.935 4.068 5 20 IIBD CN(C(=O)CN1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1)c1ccc([N+](=O)[O-])cc1 785972241 AIJCWQPRDNHXLS-UHFFFAOYSA-N 445.519 4.208 5 20 IIBD Cc1cnccc1C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 786043467 BYNISIBIFXIBJV-LJQANCHMSA-N 425.828 4.488 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 787341208 MLFKBFKCYOFRKB-UHFFFAOYSA-N 438.362 4.396 5 20 IIBD COC(=O)COc1ccc(CNc2cc(F)c(N3CCCCC3)c(F)c2)cc1[N+](=O)[O-] 788965194 KQXOWVXJPQBJGM-UHFFFAOYSA-N 435.427 4.027 5 20 IIBD CCc1c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cnn1C1CCCC1 789254768 SYGXFKJDBIGARV-GFCCVEGCSA-N 434.880 4.306 5 20 IIBD CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)c1cc([N+](=O)[O-])cc(C)c1F 791065167 YGSKACBMGYNKKB-UHFFFAOYSA-N 442.274 4.128 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2C[C@@H](C(F)(F)F)OC(C)(C)C2)c1=S 793675842 JJVGONHSXUJWHB-AWEZNQCLSA-N 445.467 4.008 5 20 IIBD Cn1c(COC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])nc2ccc(Br)cc21 796436232 WRZRDPXSOUGIBL-UHFFFAOYSA-N 432.274 4.265 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccccc1[C@@H](O)c1ccccn1 798262304 HSCKEOWKZFNXCU-HXUWFJFHSA-N 442.269 4.015 5 20 IIBD COc1cc(N2CCC(OC(=O)C(C)(C)COCc3ccccc3)CC2)ccc1[N+](=O)[O-] 800395278 MRSMFICODQVQNF-UHFFFAOYSA-N 442.512 4.358 5 20 IIBD O=C(NCCCc1c[nH]c2ccc(F)cc12)c1cc(F)cc([N+](=O)[O-])c1Br 800644839 OTWPOZIBYCZEFZ-UHFFFAOYSA-N 438.228 4.479 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC1 801089053 ANMYMEREGXIVNM-UHFFFAOYSA-N 426.473 4.054 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(c2ccc(F)cc2)CC1 802366810 FNGXUSIBQMYFRU-UHFFFAOYSA-N 425.464 4.023 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)O[C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c1F 803462991 YVMSQMZJTVKMCT-HNNXBMFYSA-N 426.322 4.023 5 20 IIBD CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1c1nc(Cc2ccccc2[N+](=O)[O-])no1 809240193 MLMKBEDMMCNCCU-FQEVSTJZSA-N 436.468 4.451 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc([C@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)n1 809402581 CKVTWFUJPMGIHF-SFHVURJKSA-N 442.394 4.394 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CCC(c2noc3cc(F)ccc23)CC1 811848762 SAOJFHPJGNSNKX-UHFFFAOYSA-N 426.404 4.216 5 20 IIBD C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[C@H](c2cccc(C(F)(F)F)c2)O1 813627475 GJJYGCQVVTVPBT-HXPMCKFVSA-N 435.402 4.465 5 20 IIBD Nc1c(C(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc(F)cc1[N+](=O)[O-] 814244607 BWOBOFWRARSTNW-UHFFFAOYSA-N 449.482 4.104 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCc1cc(Cl)cc2cccnc12 914897782 LPNVZYXZDUVBNO-UHFFFAOYSA-N 441.827 4.228 5 20 IIBD COc1cc(CCNC(=O)Nc2ccc(N3CCC(C)CC3)cc2)c([N+](=O)[O-])cc1OC 915332194 CIUDZRHMONTIIM-UHFFFAOYSA-N 442.516 4.213 5 20 IIBD Cc1nc(-c2ccc([C@@H](C)NC(=O)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc2)cs1 915777385 OKXCOUXGOXDQJS-LLVKDONJSA-N 444.900 4.496 5 20 IIBD CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)NC(=O)N1 916193560 OUIZCKRCOPPSIP-IBGZPJMESA-N 429.404 4.106 5 20 IIBD Cc1sc2nc(CS[C@H](C)C(=O)Oc3cccc([N+](=O)[O-])c3C)nc(O)c2c1C 917049925 DVUACLOXUMRIMV-GFCCVEGCSA-N 433.511 4.458 5 20 IIBD CCOc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)o1 917296657 FBHBXFJHCHUXJN-NSHDSACASA-N 432.433 4.302 5 20 IIBD O=[N+]([O-])c1nn(CN2CCC[C@H]2c2cccc(Br)c2)cc1Br 917616068 DQTYHEIFJRIBDU-ZDUSSCGKSA-N 430.100 4.111 5 20 IIBD CC(C)C[C@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccccc1 917901773 QTGGOFOHWZBCOR-NRFANRHFSA-N 439.512 4.255 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)CCNc1ccccc1)c1cccc([N+](=O)[O-])c1 1115877624 ZITXRUONVNSMKB-HXUWFJFHSA-N 425.485 4.025 5 20 IIBD O=C1O[C@H](c2ccccc2)Cc2cc(C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)ccc21 1319116593 LNEIFXRVRKIAGB-QHCPKHFHSA-N 428.444 4.248 5 20 IIBD Cc1ccc(Cn2ncc3c(-c4nc(Cc5ccc([N+](=O)[O-])cn5)no4)cc(C)nc32)cc1 1320218039 IQQQLKRDKYKRFN-UHFFFAOYSA-N 441.451 4.040 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1C 1321711536 BUXKBYLLIGUJAJ-UHFFFAOYSA-N 442.449 4.283 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC([C@H]2C(=O)Nc3ccccc32)CC1 1322778058 DIWOBKABHBWSEM-RNODOKPDSA-N 442.903 4.023 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H]1c1nnc(-c2cccc(OC(F)F)c2)o1 1341639424 ABXCPXOWAFYGPC-LBPRGKRZSA-N 436.396 4.285 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)C3(C(F)(F)F)CC3)CCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 1790186404 QEFGFZPDUATZCE-UHFFFAOYSA-N 436.390 4.013 5 20 IIBD O=C(/C=C/c1ccoc1)NC1(c2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc2)CCC1 1790755148 OLKCVCRAKJSARL-FARCUNLSSA-N 447.447 4.355 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(C2(NC(=O)c3cocn3)CCC2)cc1 1792315690 RBMIKTOIRPOSKV-IZZDOVSWSA-N 432.436 4.044 5 20 IIBD CC(C)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)[nH]n1 1821926932 QRVPJPZJXKKLMY-HXUWFJFHSA-N 441.532 4.379 5 20 IIBD O=C(CCC1CCC1)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1824276452 SEBMNQWCZXJZDE-MAIVGLDJSA-N 443.544 4.401 5 20 IIBD Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)C3CCCC3)CC2)cc1[N+](=O)[O-] 1826255074 VBOKWGWFZADYOQ-JOCHJYFZSA-N 441.572 4.256 5 20 IIBD CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)CCC1 1830493558 WTTHVWDKNPRUMO-FQEVSTJZSA-N 431.508 4.157 5 20 IIBD C[C@H](OC(=O)c1ccccc1C(=O)N(C)c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 9702854 CUHSCAJGDWBNCK-INIZCTEOSA-N 447.447 4.055 5 20 IIBD C[C@H](OC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Br)cc1 9868414 WYHUCHNMEYGLBE-NSHDSACASA-N 448.273 4.116 5 20 IIBD Cc1ccc(NC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)cc1[N+](=O)[O-] 10366334 JMDVISPUABXAKK-UHFFFAOYSA-N 425.514 4.380 5 20 IIBD C[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)N[C@H](C)c1ccc(F)cc1 10722910 QDENPBXOIRLPSB-SJORKVTESA-N 446.478 4.103 5 20 IIBD CCOC(=O)c1cc(C(=O)O[C@@H](C)C(=O)Nc2cccc3ccccc23)cc([N+](=O)[O-])c1 10856583 BASCPBCDWBLUEO-AWEZNQCLSA-N 436.420 4.109 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 15700768 UZLKCMXSHFKEEF-JTQLQIEISA-N 427.240 4.023 5 20 IIBD CCc1ccc(N(C(C)=O)c2nc(COC(=O)c3cc([N+](=O)[O-])ccc3N)cs2)cc1 16814351 ZEKKZMGHLVGNFV-UHFFFAOYSA-N 440.481 4.238 5 20 IIBD CCCn1c(/C(Cl)=C/c2cccc([N+](=O)[O-])c2)nc2cc(S(=O)(=O)N(C)C)ccc21 18065516 ZUVZYIRVVQCDOI-ATVHPVEESA-N 448.932 4.342 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 19284859 IZRYHLRNTSRVSV-VIFPVBQESA-N 446.765 4.460 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)CSc1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] 22189070 DIYGXGHOCVUQNE-KRWDZBQOSA-N 438.452 4.164 5 20 IIBD CNC(=O)c1cccc(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c1 24039671 LTJTWRXBCWLZSM-UHFFFAOYSA-N 428.495 4.123 5 20 IIBD COc1ccc(C2=NN(C(=O)COc3ccc(C)cc3[N+](=O)[O-])[C@@H](c3ccco3)C2)cc1 24733190 HWHLQZJWDUYEIY-LJQANCHMSA-N 435.436 4.262 5 20 IIBD CC(=O)c1cc2c(cc1NC(=O)c1ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c1)OCO2 28880807 RSBZVUOANWBFRM-OKILXGFUSA-N 439.468 4.261 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1Cc1ccccc1)Nc1ccc(N2CCOCC2)cc1 30970619 ZQBNMPWFUPWKCE-UHFFFAOYSA-N 447.491 4.040 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)N(C)Cc1ccsc1 63665827 VIQOZDHLZKAZLJ-UHFFFAOYSA-N 445.522 4.038 5 20 IIBD COCCOc1cc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)ccc1OC 64908486 CESFSYMLOKFCOS-UHFFFAOYSA-N 429.454 4.004 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(Cc2nc(-c3cccs3)no2)CC1 69448663 VNLZAFQRNSEHEV-UHFFFAOYSA-N 439.419 4.047 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccc(-c4csnn4)cc3)cc2)c(C)c1[N+](=O)[O-] 108697778 RWNGNQQIXVVMOM-UHFFFAOYSA-N 434.481 4.227 5 20 IIBD O=[N+]([O-])c1cc2c(O)ncnc2cc1N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 301208475 UZWIKJQKVNKKIK-KRWDZBQOSA-N 439.230 4.267 5 20 IIBD CN(c1c(Br)cncc1[N+](=O)[O-])C1CCC(NC(=O)OC(C)(C)C)CC1 301890066 NSAJIUDTNIXASX-UHFFFAOYSA-N 429.315 4.024 5 20 IIBD NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F 301934622 QYXSTKQZJHWPMU-DZGCQCFKSA-N 429.420 4.009 5 20 IIBD O=C(c1cc(N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)ccc1[N+](=O)[O-])N1CCCC1 302024345 HBYIDLUVPMJOHH-OAHLLOKOSA-N 432.883 4.314 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N[C@H]1CCO[C@H](c2ccccc2)C1 302169101 KXSIPURGMRRTFY-GUYCJALGSA-N 430.404 4.221 5 20 IIBD O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccc([N+](=O)[O-])cc1Cl 303521959 DEEYLIFJJRIXTP-AWEZNQCLSA-N 427.810 4.271 5 20 IIBD C[C@@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 409666735 PCFDFBTUMPYZMN-TZMCWYRMSA-N 438.347 4.059 5 20 IIBD Cc1cc(NC(=O)c2c(F)ccc(Br)c2F)n(-c2ccc([N+](=O)[O-])cc2)n1 425972227 XCSZHDURCSPTTC-UHFFFAOYSA-N 437.200 4.382 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccccc1-c1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 426657125 LSCNAZDOCOYTPH-CYBMUJFWSA-N 425.391 4.356 5 20 IIBD C[C@@H](O)CN(C)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2 428678889 XINGCNOVUVKXIK-WDMNMGCXSA-N 431.492 4.473 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3nc4ccsc4s3)CC2)ccc1[N+](=O)[O-] 432129255 KGKHBRJIMKINKE-UHFFFAOYSA-N 433.515 4.019 5 20 IIBD CN(CCCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)Cc1ccccc1 435935474 JKQJJDZRXKPPBP-UHFFFAOYSA-N 435.474 4.211 5 20 IIBD CC(C)c1nc2ccc(NC(=O)C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)cc2s1 437042873 YISURKTYILFARE-UHFFFAOYSA-N 438.509 4.458 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(F)c(Br)c1 439245028 JOQYKMAQZOMOML-UHFFFAOYSA-N 431.283 4.096 5 20 IIBD CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])cc1Br 440545985 LRWZQIRDYPIKRQ-QGZVFWFLSA-N 446.345 4.342 5 20 IIBD CN1CC[C@H](NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)[C@@H]1c1ccccc1 444284940 HPSPAOWTVBFXHA-REWPJTCUSA-N 433.458 4.135 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCO[C@@H](C2CCCCC2)C1 444317235 VEBKMAGFGHEJEZ-HXUWFJFHSA-N 426.463 4.381 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 444720673 CTTTWEVYXKHJQN-NRFANRHFSA-N 431.448 4.406 5 20 IIBD CC(C)(C)NC(=O)c1cccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])c1 446106728 DGHLKOHLTJCXEI-UHFFFAOYSA-N 426.292 4.199 5 20 IIBD CS(=O)(=O)c1ccc(CNc2ccc([N+](=O)[O-])c3cccnc23)cc1C(F)(F)F 447680209 NLTKEOMMKQYXMQ-UHFFFAOYSA-N 425.388 4.177 5 20 IIBD COc1cc(CCNC(=O)Nc2ccc(C(F)(F)F)c(OC)c2)c([N+](=O)[O-])cc1OC 448083157 JHERSOZJOUEHBZ-UHFFFAOYSA-N 443.378 4.004 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)cc1OC 460532561 JTNIPPIHKLSYCG-HNNXBMFYSA-N 447.919 4.175 5 20 IIBD O=C(N[C@H](c1ccccc1)c1ccccn1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465432551 LLYLIKQSEPUPRE-HSZRJFAPSA-N 432.480 4.332 5 20 IIBD CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc(C(F)(F)F)cs1 466870718 NRUGFRLURSZQMN-SECBINFHSA-N 429.829 4.153 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])c(C2CC2)n1)Nc1cc(-c2ccccc2)nn1-c1ccccc1 468102027 CFEGEFBIXJGPTK-UHFFFAOYSA-N 428.452 4.160 5 20 IIBD O=C(NCc1ccc(OCc2ccccc2F)cc1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 468651731 CXXNTVFLHPHPMZ-UHFFFAOYSA-N 447.422 4.497 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCC(c3ncc4n3CCCC4)CC2)cc1[N+](=O)[O-] 469360520 VOUCWQPUHMXROE-UHFFFAOYSA-N 447.333 4.218 5 20 IIBD COC(=O)[C@@H](NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1ccsc1 470124862 JQZDHUDORDMNSG-SFHVURJKSA-N 428.491 4.452 5 20 IIBD CC[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC[C@H]1c1ccccc1 470203506 CMLHUBUFQJBYNV-BHIYHBOVSA-N 441.553 4.303 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 472602635 BBPDCUHPBWKMQR-HXUWFJFHSA-N 443.381 4.051 5 20 IIBD C[C@H](CCS(=O)(=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)OCc1ccccc1 473409522 QJRBWEJIKGRMIH-MRXNPFEDSA-N 430.482 4.160 5 20 IIBD NC(=O)[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc(Br)c1 475430656 YDMWDLHXMNWGHM-GOSISDBHSA-N 446.326 4.402 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3ccc(Oc4cccnc4)cc3)CC2)ccc1[N+](=O)[O-] 477375594 GRGPDVLWXPOQAS-UHFFFAOYSA-N 448.479 4.143 5 20 IIBD CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2c([N+](=O)[O-])ccc(C)c2C)cc1Cl 480694681 PKCLQHAVXTWEND-UHFFFAOYSA-N 439.921 4.148 5 20 IIBD COC(=O)CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CC1 480755564 FYZSZZKIGBGPSV-UHFFFAOYSA-N 445.903 4.276 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cc2nnc3n2CCC3)cc1 481124729 MNDKTSSBHGPLAL-UHFFFAOYSA-N 437.525 4.476 5 20 IIBD CCn1c2ccccc2c2cc(NC(=O)C(=O)NCc3cccc([N+](=O)[O-])c3C)ccc21 483823451 SCOGNUCUNYRPLJ-UHFFFAOYSA-N 430.464 4.286 5 20 IIBD COCCN(Cc1sccc1Br)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 484339664 NXHGXLDCLGIEPX-UHFFFAOYSA-N 444.307 4.108 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])c1 484881713 AKVWHAFOBVHENH-NWDGAFQWSA-N 427.379 4.180 5 20 IIBD CC(C)c1c(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cnn1-c1ccccc1 487760821 MRAXYYNHWXHFKS-UHFFFAOYSA-N 449.511 4.280 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 488016772 VNPVBTOTMFOYIR-WMZOPIPTSA-N 442.274 4.413 5 20 IIBD CCn1c(S[C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)nnc1-c1ccc([N+](=O)[O-])cc1 489428707 AWZGZAUHKNUAML-CQSZACIVSA-N 441.513 4.384 5 20 IIBD COc1ccc(CNC(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc1[N+](=O)[O-] 490934010 LDJVSCSVTJWNIT-QGZVFWFLSA-N 437.456 4.090 5 20 IIBD COc1cc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(F)(F)F)cc(OC)c1OC 492099655 DYSSEQBZBVYHJS-MRXNPFEDSA-N 448.781 4.307 5 20 IIBD CC[C@@H](NCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 492122326 LONVSFHVRQMXCE-OAHLLOKOSA-N 438.427 4.259 5 20 IIBD CCOc1cc(CN2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)ccc1[N+](=O)[O-] 492697881 SAVCGPUBXMLYDW-KRWDZBQOSA-N 430.480 4.166 5 20 IIBD O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2 497456712 BQGVYJASHTXMPC-IRXDYDNUSA-N 441.434 4.095 5 20 IIBD COCCN(C(=O)CO[C@H]1CCCC[C@@H]1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 497549746 DRWJJGWCSMDNCM-KXBFYZLASA-N 433.530 4.293 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NCc1cccc(F)c1 498264536 CFHGBMUQJJVAJH-UHFFFAOYSA-N 430.439 4.446 5 20 IIBD CCN(CC)CCOc1cc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)ccc1OC 498290363 HDLXAENOFLDRMD-UHFFFAOYSA-N 438.484 4.125 5 20 IIBD O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC(c2ccc(Br)cc2)CC1 499491757 JWPCOZUJNPHSBI-UHFFFAOYSA-N 433.258 4.106 5 20 IIBD COc1cc([C@@H](C)NC(=O)NCCNc2ccccc2[N+](=O)[O-])ccc1OC1CCCC1 502576705 WWIYFQJQUILRIG-MRXNPFEDSA-N 442.516 4.397 5 20 IIBD COc1ccc(CSCC(=O)N[C@](C)(c2ccccc2)C(F)(F)F)cc1[N+](=O)[O-] 504537543 ACGIHZIDFIGRPY-GOSISDBHSA-N 428.432 4.431 5 20 IIBD CC[C@H](C)n1c(SC[C@H](O)COc2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1 504792232 BCGVJPLSTIOWFX-MAUKXSAKSA-N 428.514 4.356 5 20 IIBD O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N1CCC(c2ccc(Br)cc2)CC1 505162821 UBOMEKFSLHUKQV-UHFFFAOYSA-N 429.274 4.253 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(F)cc2OCC(F)(F)F)cc([N+](=O)[O-])c1 505533608 MPOHZHQULYXILT-UHFFFAOYSA-N 430.310 4.104 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(NC(=O)CCN3CCCCC3)cc2)c1 505823337 GUWHZUNMLXAGCA-UHFFFAOYSA-N 442.541 4.384 5 20 IIBD COc1cc(C(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)ccc1[N+](=O)[O-] 508985111 YNGDVBSJRQRTHZ-IBGZPJMESA-N 434.427 4.264 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CCSc2ccccc21 509027663 XWDCPCPCOWEGKD-UHFFFAOYSA-N 440.262 4.260 5 20 IIBD COc1ccc(-c2ccc(CN3CCN(C(=O)c4cc(C)oc4C)CC3)o2)c([N+](=O)[O-])c1 510173657 BSWKOYOADYJISX-UHFFFAOYSA-N 439.468 4.031 5 20 IIBD CC(=O)Nc1nc2ccc(NC(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)cc2s1 510602891 WNKIULMTSYMJHH-UHFFFAOYSA-N 449.286 4.486 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(OC(F)F)c(F)c1 511180003 ANZHLLHFRFLOSS-UHFFFAOYSA-N 430.404 4.004 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)C2(CCC2)C1 512707725 JMOSUDDSZHOHJU-LLVKDONJSA-N 428.270 4.160 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl 513342422 GBPACUWCNMSXMO-UHFFFAOYSA-N 432.908 4.483 5 20 IIBD CSCC[C@H](N[C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1nnc2ccccn12 513788232 NIXQPBCBYZYAOH-UHOSZYNNSA-N 425.558 4.433 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1ccc(N2CCCC2)c(F)c1)c1ccccc1[N+](=O)[O-] 518038496 MFFRMFZDKNBNFB-LJQANCHMSA-N 443.475 4.147 5 20 IIBD CC[C@H](C)[C@H](NC(=O)c1ccccc1[N+](=O)[O-])C(=O)N1CCC(Cc2ccccc2)CC1 518115456 DKXWBVTVNJKHMU-MBSDFSHPSA-N 437.540 4.221 5 20 IIBD C[C@H](NC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1)c1cccc([N+](=O)[O-])c1 518478324 YDTUPSUNFXEZPB-GJZGRUSLSA-N 447.333 4.244 5 20 IIBD Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)C2)cc1 518785860 YFSWOPHEHQIDJQ-ROUUACIJSA-N 439.516 4.208 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 522578359 HYPMDNXNLVMNMR-OAHLLOKOSA-N 442.859 4.083 5 20 IIBD CC(C)[C@H](NC(=O)CSCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccccc1 522673234 XYKKHSJFKFHBBM-NRFANRHFSA-N 443.525 4.140 5 20 IIBD COc1ccc(CC(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)cc1[N+](=O)[O-] 523964051 NOBMKZFIHBTABU-SSEXGKCCSA-N 430.526 4.366 5 20 IIBD CCc1nc(C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)nn1-c1ccccc1 524554039 DRZREOUZEKGMLT-UHFFFAOYSA-N 441.447 4.221 5 20 IIBD C[C@@H](NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1cc2ccccc2s1 527199866 WLJQXLKLLXIUIK-OAHLLOKOSA-N 438.509 4.038 5 20 IIBD CC(C)(C)c1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])cc2I)c1 530876558 VKQWOGPCEMQVMB-UHFFFAOYSA-N 440.237 4.455 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnn(S(=O)(=O)c3ccc(Cl)cc3C(F)(F)F)c2)c1 538668814 XGDFAYRTLSFSDD-UHFFFAOYSA-N 431.779 4.368 5 20 IIBD CCc1nc2ccccc2n1C1CCN(S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)CC1 538968672 GRCSZGNMTMAQHB-UHFFFAOYSA-N 442.541 4.150 5 20 IIBD COCCOc1c(Cl)cc(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)cc1Cl 539130370 ADZAXHAEXUDTSI-UHFFFAOYSA-N 444.271 4.127 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c1 539521014 SVYFJHVEUFQHDN-HNNXBMFYSA-N 427.432 4.359 5 20 IIBD Cc1csc(Nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)cc2)n1 539626311 ZYXFWWKPLUABNC-UHFFFAOYSA-N 439.497 4.192 5 20 IIBD Cc1csc([C@@H](C)CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1 541753049 FBQUUYJFQGDWLL-ZFWWWQNUSA-N 425.514 4.461 5 20 IIBD CC[C@@H](Cc1ccccc1Br)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] 542119878 NPTOOFOJZKCNHJ-NSHDSACASA-N 433.349 4.256 5 20 IIBD C[C@@H](O)[C@@H]1CCN(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)C1 542419068 RDSPTUWMRDABFH-TZMCWYRMSA-N 437.855 4.092 5 20 IIBD Cc1nc([C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2F)no1 543119592 PNJZFVQLLYBSNY-QGZVFWFLSA-N 436.852 4.077 5 20 IIBD CCC1(c2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)CCN(C(=O)c2ccccc2)CC1 545144852 UJQAVXGMOGBHGF-UHFFFAOYSA-N 434.496 4.461 5 20 IIBD O=C(c1c(F)cccc1Sc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 545914494 CSNLIQMGUOVOOZ-UHFFFAOYSA-N 438.484 4.243 5 20 IIBD Cc1nc2c3ccccc3nn2c(C)c1CCc1nc(Cc2cccc([N+](=O)[O-])c2C)no1 546489973 PCHRCBUBHYIEGO-UHFFFAOYSA-N 442.479 4.475 5 20 IIBD CC[C@H](Cc1ccccc1Br)N(C)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 548558011 DMUPDWQWGPADHH-CQSZACIVSA-N 449.301 4.222 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2cccnc2)cc1[N+](=O)[O-] 551438164 ROPMEHGLJXWOAR-OAQYLSRUSA-N 432.480 4.132 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@H]2CCCCC[C@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] 551733451 CXMXUNRNOMNFAM-ROUUACIJSA-N 445.903 4.428 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccc(NC(=O)C3CC3)nc2)cc1[N+](=O)[O-])c1ccccn1 553276416 ZPFHGRWIZXKYLG-CQSZACIVSA-N 446.467 4.159 5 20 IIBD CC1(C)CN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C[C@H](C(F)(F)F)O1 553372482 UQLUDZUVTJPINJ-MRXNPFEDSA-N 440.368 4.141 5 20 IIBD CC(C)Oc1ccc([C@H](CN[C@@H](c2ccc([N+](=O)[O-])cc2)c2nccn2C)N(C)C)cc1 554092997 SPAFOPDRAABKQX-GOTSBHOMSA-N 437.544 4.097 5 20 IIBD CC(C)[C@](C)(Cc1ccc(Cl)cc1)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 557902201 UCMMMVSCBNWOLP-FQEVSTJZSA-N 438.933 4.039 5 20 IIBD CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 558370635 HQPGCVHAZHLOMP-UYAOXDASSA-N 426.473 4.202 5 20 IIBD COc1cc(Cc2noc(Cc3ccc(C)c(Br)c3)n2)c([N+](=O)[O-])c(OC)c1 567545844 PVIZXXOKLSHKSU-UHFFFAOYSA-N 448.273 4.248 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2nc(COC)sc2-c2ccccc2)c1 572544725 ORUYKBMMOHPWFN-UHFFFAOYSA-N 427.482 4.193 5 20 IIBD C[C@H](C(=O)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn23)C1)c1cccc([N+](=O)[O-])c1 574229771 SWKRIBGKXRAMFH-DZGCQCFKSA-N 447.417 4.166 5 20 IIBD COc1ccccc1-c1nnc(Sc2ncc([N+](=O)[O-])c(C)c2Br)n1C 577900919 UUHYQMFUMAJDAB-UHFFFAOYSA-N 436.291 4.016 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C(=O)NC)c1Br 580007014 WNGOLFBUJAAVBV-UHFFFAOYSA-N 438.303 4.081 5 20 IIBD Cc1ccc(NC(=O)C(=O)NC2(c3ccc(Br)cc3)CCCC2)cc1[N+](=O)[O-] 584809444 FXTRBWVVBHISHO-UHFFFAOYSA-N 446.301 4.190 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1ccc(F)c(Br)c1 590192918 IYWUZLUKWWASDV-LLVKDONJSA-N 440.269 4.184 5 20 IIBD C[C@H](NC(=O)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1)c1cccc([N+](=O)[O-])c1 604127818 WDGYJHLMTSHXQP-HNNXBMFYSA-N 425.464 4.459 5 20 IIBD O=C(c1ccsc1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 604183925 GZQOBGDUSYQTHZ-UHFFFAOYSA-N 437.477 4.047 5 20 IIBD O=C(NC1(c2ccc(F)cc2)CCC1)c1ccc([N+](=O)[O-])cc1I 604569530 MOTZQUZOQZCNQU-UHFFFAOYSA-N 440.212 4.148 5 20 IIBD COCCOc1ccc(CNc2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])cn1 608973024 ZSEFRNSSHAONMZ-UHFFFAOYSA-N 436.468 4.188 5 20 IIBD COc1ccc(CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(F)cc2)cc1[N+](=O)[O-] 609010766 RSQSINYBOIJYHE-UHFFFAOYSA-N 426.448 4.407 5 20 IIBD COc1cc(C(=O)N(C)Cc2ccc(C)s2)c([N+](=O)[O-])cc1OCc1cscn1 609063703 OUJLCBPENHPSOR-UHFFFAOYSA-N 433.511 4.281 5 20 IIBD COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 609727611 ORLYKOMHLWLQQV-SFHVURJKSA-N 448.903 4.234 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2C)c([N+](=O)[O-])c1 609761642 YZRCQZYEORHBRT-UHFFFAOYSA-N 428.466 4.292 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC1CCN(c2nc3ccccc3s2)CC1 609792856 NDFKKKUSPFHSEL-UHFFFAOYSA-N 430.917 4.186 5 20 IIBD CC1CCN(C(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Br)cc2)CC1 610041038 JRJWVUMOKBCPAK-UHFFFAOYSA-N 446.301 4.482 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(NC[C@H]3CCCO3)c(F)c2)cc1[N+](=O)[O-] 610069727 WDCXGPWFMZTRIY-MRXNPFEDSA-N 449.504 4.205 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 610598181 WEUDZKNUCGCTCG-HGNGGELXSA-N 434.720 4.215 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2cccn(Cc3ccc(C)cc3)c2=O)cc1SC 611087151 IUKGDLZJIQSCFY-UHFFFAOYSA-N 439.493 4.096 5 20 IIBD CNS(=O)(=O)c1ccc(N[C@H](C)c2ccc(-c3csc(C)n3)cc2)c([N+](=O)[O-])c1 612113585 CSUCGOGAYSCHLL-GFCCVEGCSA-N 432.527 4.108 5 20 IIBD O=C(c1ccc(O)cc1)C1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 612301713 KFCZIXGNHNCGJO-UHFFFAOYSA-N 434.901 4.167 5 20 IIBD COC(=O)c1cc(NC(=O)c2csc(-c3ccccc3OC)n2)c(C)c([N+](=O)[O-])c1 616937575 KBPYCUAHZJOGOY-UHFFFAOYSA-N 427.438 4.074 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 619583090 BRLCSNHRZMWDEC-VXGBXAGGSA-N 428.329 4.261 5 20 IIBD COc1ccccc1C1(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)CC1 727329504 BTNFGLDEZFKCAJ-UHFFFAOYSA-N 449.429 4.003 5 20 IIBD COc1ccc(NC(=O)COC(=O)/C=C/c2cccc(OC3CCCC3)c2)c([N+](=O)[O-])c1 727885044 BRIUCFRNGVVRCX-FMIVXFBMSA-N 440.452 4.120 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)[C@@H]1CCOc2ccccc21)c1cccc([N+](=O)[O-])c1 728188887 RVDVKVJHKRFXMY-WIYYLYMNSA-N 438.480 4.089 5 20 IIBD O=C(Cn1c(COc2ccccc2)nc2ccccc21)OCc1c(F)cccc1[N+](=O)[O-] 728986692 FPNOHYVDTKWTAC-UHFFFAOYSA-N 435.411 4.406 5 20 IIBD COCCOC(=O)Nc1cccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 729038328 OJLWFOOKPUOZLY-UHFFFAOYSA-N 430.461 4.232 5 20 IIBD CN1CC[C@@H](NCc2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c2)C1 729682129 NLIPCKHLTWKOJC-CYBMUJFWSA-N 445.526 4.058 5 20 IIBD Cc1ncc(-c2ccc(NC(=O)c3ccc(I)c([N+](=O)[O-])c3)cc2)o1 730470287 ASIRFAMKSQQQNE-UHFFFAOYSA-N 449.204 4.415 5 20 IIBD C[C@H](OC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)Nc1c(F)c(F)c(F)c(F)c1F 730644740 FRRPCPWUPVCOJT-YFKPBYRVSA-N 438.692 4.128 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@@H](C)O1 735007366 GWCDSQNSJIBFGD-GASCZTMLSA-N 433.892 4.269 5 20 IIBD CC(=O)N(Cc1ccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1)C(C)C 735017580 KUZDTAAXGLIEMR-UHFFFAOYSA-N 434.290 4.367 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 735903200 HOKPHHGLUGXCHO-QGZVFWFLSA-N 436.917 4.152 5 20 IIBD O=C(Oc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(S(=O)(=O)Cc2ccccc2)cc1 741438177 NDXOSYRBHMNOFD-UHFFFAOYSA-N 431.853 4.441 5 20 IIBD CC(=O)N(C)c1ccc(S(=O)(=O)Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])cc1 742281932 IBPVONIDPGACAW-UHFFFAOYSA-N 426.450 4.012 5 20 IIBD COc1ccc(C[C@@H]2CCCN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])C2)cc1 742412914 WYPONNJFNATTIL-HNNXBMFYSA-N 440.468 4.059 5 20 IIBD CC(C)CO[C@H](C)c1noc(COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)n1 744640242 XFGDUGAGLDYOOR-MRXNPFEDSA-N 435.480 4.015 5 20 IIBD COc1ccc(CC(=O)OCc2ncc(-c3cccc(Br)c3)o2)cc1[N+](=O)[O-] 744945969 ZRTFCERYRSFZDO-UHFFFAOYSA-N 447.241 4.307 5 20 IIBD C[C@H](CC(=O)O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1C(F)(F)F 745222258 KBGYBCPHYPCJSS-ACJLOTCBSA-N 436.386 4.456 5 20 IIBD COc1ccccc1NC(=O)[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)C 745567224 GGGVQCQNWYEDEC-KRWDZBQOSA-N 440.374 4.442 5 20 IIBD CCCCCCNC(=O)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 748255728 LOFZFRCPYSEPFQ-IBGZPJMESA-N 444.576 4.134 5 20 IIBD CCCCCCNC(=O)[C@H]1CCCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 748318204 NIVIAEHPOYCIBR-WMZOPIPTSA-N 429.521 4.114 5 20 IIBD C[C@@H](OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1nc2cc(Cl)ccc2n1C 750217706 CAJKJHNCJLDCTG-GFCCVEGCSA-N 425.832 4.239 5 20 IIBD COc1cc(/C=C2/N=C(c3ccc([N+](=O)[O-])c(C)c3)OC2=O)ccc1OCC(F)(F)F 751034490 ARORHHRSNLPDHR-RIYZIHGNSA-N 436.342 4.197 5 20 IIBD Nc1nc(COC(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)nc2sc3c(c12)CCCC3 754984665 QAYFLEMPICPVRB-UHFFFAOYSA-N 436.852 4.210 5 20 IIBD CN(C)CCCOc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1 755000737 JUZPAGUWNLVYOR-UHFFFAOYSA-N 440.269 4.079 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]1C[C@H](O)c1cccs1 755485616 FLPWBSFSMAWZDR-CJNGLKHVSA-N 439.331 4.076 5 20 IIBD C[C@H](Oc1ccc(F)cc1Br)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 756993691 XIILYRUKWROULW-VIFPVBQESA-N 431.645 4.234 5 20 IIBD O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)N1CCC[C@@H]1c1cccs1 757745320 WAEVTVFHLZRBBI-LLVKDONJSA-N 435.296 4.084 5 20 IIBD CCC[C@H](NC(=O)c1cc(F)cc(C)c1[N+](=O)[O-])C(=O)Nc1cccc(N2CCCC2)c1 760492425 LSBRNKIEKKPBFM-FQEVSTJZSA-N 442.491 4.180 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc([C@@H]3CC(c4cccc(F)c4)=NO3)n2)c(Br)c1 762260521 HXEHVPCCECUDNZ-INIZCTEOSA-N 447.220 4.336 5 20 IIBD O=C(c1ccc(CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)cc1)N1CCCC1 764999280 CEPXULXZTYLTSI-UHFFFAOYSA-N 432.480 4.417 5 20 IIBD COc1cc(COC(=O)COc2ccc(Oc3ccccn3)cc2)c([N+](=O)[O-])cc1F 766174284 UYKVBWUCYGOMFB-UHFFFAOYSA-N 428.372 4.052 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F 766800525 XETCUNFBBCHUAC-SFHVURJKSA-N 428.432 4.323 5 20 IIBD O=C(c1ccc(N2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)c([N+](=O)[O-])c1)N1CCOCC1 767210565 VNTALXJINRCAFV-KRWDZBQOSA-N 449.429 4.080 5 20 IIBD CCNc1nc(C(=O)O[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)cs1 768666281 SYBBLIBQINMGRU-GOSISDBHSA-N 440.481 4.328 5 20 IIBD O=C(OCc1csc(CCc2ccccc2)n1)c1cc(Br)ncc1[N+](=O)[O-] 769837624 PWZXJMCBUIHMQU-UHFFFAOYSA-N 448.298 4.351 5 20 IIBD COc1cc(CN2CCC[C@H]2C[C@@H](O)c2ccco2)c([N+](=O)[O-])cc1OCC(F)(F)F 770320664 DWICDKFGHZEHFA-GOEBONIOSA-N 444.406 4.226 5 20 IIBD CC[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H](O)c1c(F)cccc1F 771700905 FPBZBAVZELDLJH-YJBOKZPZSA-N 433.436 4.239 5 20 IIBD CC(C)c1ncc(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)s1 773282524 IANXTROPRQSGFQ-INIZCTEOSA-N 431.514 4.417 5 20 IIBD CCOc1ccc(C(=O)CCC(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)cc1OCC 773982542 XBKVNZHAFATVPV-UHFFFAOYSA-N 426.469 4.253 5 20 IIBD O=C(O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1cn(-c2ccccc2Cl)nn1 776134665 OAMMPUSXRYNOKI-FQEVSTJZSA-N 435.827 4.170 5 20 IIBD O=S1(=O)CC[C@@]2(C[C@H](NCc3c4ccccc4c(Cl)c4ccccc34)CCO2)C1 776499939 ZFKVNTLKKLOQBN-WAIKUNEKSA-N 429.969 4.472 5 20 IIBD C[C@H](CC(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(=O)c1ccc(Cl)cc1 777220210 HTVNTPBGMPGLBE-GFCCVEGCSA-N 429.816 4.251 5 20 IIBD CC(C)n1ncc2c(C(=O)O[C@@H]3CCN(c4ccc([N+](=O)[O-])cc4)C3)cc(C3CC3)nc21 778798465 MWQPMYRPIAVGIK-GOSISDBHSA-N 435.484 4.234 5 20 IIBD COc1cc(CN2CCCC[C@H]2[C@H](O)c2ccccc2)c([N+](=O)[O-])cc1OCC(F)F 779001659 ICUJPEFKOCGFAK-HTAPYJJXSA-N 436.455 4.335 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Oc2cccc(F)c2F)nc1 782485783 WLDLWQZBNWOFDE-UHFFFAOYSA-N 439.371 4.309 5 20 IIBD O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 784024673 BKOPAKSTJSMSAC-QGZVFWFLSA-N 444.413 4.284 5 20 IIBD O=C(COC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])Nc1ccc(F)cc1F 784367271 OQGQKAXMMQAVOP-UHFFFAOYSA-N 442.374 4.248 5 20 IIBD CC(=O)OCCc1cccc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 785928588 CTERJIJGAVSGNP-UHFFFAOYSA-N 425.363 4.041 5 20 IIBD O=[N+]([O-])c1ccc(Br)c(OC[C@H](O)c2ccc(F)c(Br)c2)c1 787252633 LCQNBNJSKJYWEX-ZDUSSCGKSA-N 435.043 4.371 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC[C@H](O)c1ccc2ccccc2c1 787338645 FOUQQSALLVGWHY-IBGZPJMESA-N 433.386 4.300 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Oc1cccc(-c2nccs2)c1 790872195 CXSCVTRTXOQFAC-UHFFFAOYSA-N 425.422 4.012 5 20 IIBD C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)NC(=O)OC(C)(C)C 792509323 MVFMNLVRALOBPA-CQSZACIVSA-N 431.514 4.389 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2C[C@H](C(F)(F)F)OC(C)(C)C2)c1=S 793675845 JJVGONHSXUJWHB-CQSZACIVSA-N 445.467 4.008 5 20 IIBD O=C(CCSCc1ccccc1)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 796699916 NGOSXVKDPDJELL-SFHVURJKSA-N 428.510 4.066 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(N(C)Cc2ccccc2)cc1 799261064 LEXIQJXLOHDZOB-UHFFFAOYSA-N 448.479 4.207 5 20 IIBD Cc1c(Br)cc(C(=O)O[C@H](c2ccccc2)c2cnn(C)c2)cc1[N+](=O)[O-] 799640593 WEYBHJYPSATCSP-GOSISDBHSA-N 430.258 4.346 5 20 IIBD O=C(OCc1c(F)cc([N+](=O)[O-])cc1F)c1nccnc1-c1nc2ccccc2s1 803266258 QDEQRKHCAHZMHP-UHFFFAOYSA-N 428.376 4.297 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)c2ccccc21 809861975 JNNLFNJWCJJYSB-UHFFFAOYSA-N 447.513 4.108 5 20 IIBD COc1cc(N[C@H]2CCCN(C(=O)Nc3cccc([N+](=O)[O-])c3Cl)C2)cc(OC)c1 809912809 KKADRXNFIMRADW-ZDUSSCGKSA-N 434.880 4.374 5 20 IIBD O=C(NC[C@H]1CCCCN(Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1Br 810982141 LHLGLWRYUBBLGC-QGZVFWFLSA-N 446.345 4.389 5 20 IIBD C[C@H](CNC(=O)[C@@H](C)OC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccccc1 811375378 YFJOTTFYBRKLTQ-VXGBXAGGSA-N 425.268 4.367 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)c2ccc(C(F)(F)F)nc2Cl)c1C 815051322 MZRAPWVLKBVWBA-SNVBAGLBSA-N 437.827 4.318 5 20 IIBD CC(=O)Nc1cccc(NC(=O)[C@@H](OC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C(C)C)c1 815405502 YYHSIPDNSCAZOL-IBGZPJMESA-N 447.875 4.335 5 20 IIBD Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1C 863938299 LPHNDULJEUNQRB-QGZVFWFLSA-N 445.903 4.125 5 20 IIBD COC(=O)c1ccc(NCc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])cc1F 864009536 ZZGRPELIQNLKDD-UHFFFAOYSA-N 432.326 4.082 5 20 IIBD CCc1cccc2c(C(=O)[C@H](OC(=O)Cn3cc([N+](=O)[O-])cn3)c3ccccc3)c[nH]c12 913303463 TUZALGGZGTUVOR-HSZRJFAPSA-N 432.436 4.002 5 20 IIBD Cc1ccc(N(Cc2cccs2)C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)cc1 914524794 LHSRYKOINHLIME-UHFFFAOYSA-N 430.507 4.215 5 20 IIBD Cc1ccc(N(Cc2cccs2)C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 914525051 YFYSVXZBQHWDEM-UHFFFAOYSA-N 441.534 4.389 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 915109093 SQFGQVVBNSUGDH-UHFFFAOYSA-N 429.376 4.186 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(C2SCCS2)cc1 918819792 CTDKJUOYGVXTTG-UHFFFAOYSA-N 429.479 4.480 5 20 IIBD C[C@@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 919211434 NLXLSYOYRBSYQO-ZCFIWIBFSA-N 444.268 4.221 5 20 IIBD CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 920207892 NLJZXNQOKAHNQT-TZMCWYRMSA-N 427.448 4.103 5 20 IIBD COc1ccc(NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1-n1nnnc1C 1319289239 CUFWVZOOYNDHFZ-UHFFFAOYSA-N 440.847 4.413 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1)N1CC[C@@](O)(C2CC2)C1 1321377609 UNABSQOWFUASJK-SANMLTNESA-N 449.551 4.041 5 20 IIBD O=C(CO[C@H]1CCOC1)Nc1cc([N+](=O)[O-])ccc1Nc1cccc(C(F)(F)F)c1 1322310716 JHDPBJXBQJRZLM-HNNXBMFYSA-N 425.363 4.101 5 20 IIBD CC(C)(C)OC(=O)N[C@H](Cc1nnc(COc2ccccc2[N+](=O)[O-])o1)c1ccccc1 1322399243 MONFUVVZVGHRSV-MRXNPFEDSA-N 440.456 4.365 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCc2ccc(-c3nnco3)cc2)cc1[N+](=O)[O-])c1ccccn1 1324386770 KCPPCQHYICZARH-HNNXBMFYSA-N 444.451 4.143 5 20 IIBD Cn1cccc1C(=O)Nc1ccc(C2(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)CCC2)cc1 1787264316 JYEZNRPJTBCXSW-UHFFFAOYSA-N 436.443 4.134 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1)c1ccc(F)c(F)c1 1790187172 BHRDVAZZBLHSQZ-UHFFFAOYSA-N 440.406 4.263 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cc(F)cc([N+](=O)[O-])c4)cc3)CCC2)on1 1790696579 LRLXZDOEKPRYGF-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD O=C(Cc1cc(F)ccc1[N+](=O)[O-])NC1(c2ccc(NC(=O)C3(F)CCC3)cc2)CCC1 1792057270 JMFVMICAOGTDGS-UHFFFAOYSA-N 443.450 4.303 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC2(CCCN(C(=O)CC3CCCC3)C2)CC1 1808929148 FMVNEBDHTUOUBJ-UHFFFAOYSA-N 441.572 4.339 5 20 IIBD CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3ccc([N+](=O)[O-])o3)n[nH]2)CCCC1 1814964841 PRLIIFPKWPAFLB-LKUPDRCFSA-N 441.488 4.197 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])[nH]n1)[C@H]1CC=CCC1 1820829103 XHIZFYNCCNCFJU-KSSFIOAISA-N 441.463 4.119 5 20 IIBD Cc1ccoc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1827737034 UCPPVJNFJFLJSC-XZXOBPBMSA-N 441.484 4.036 5 20 IIBD Cc1cccc(C)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 1829834718 GDZCLXUQKKHXOM-FQEVSTJZSA-N 438.528 4.087 5 20 IIBD C/C=C(\C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(F)ccc([N+](=O)[O-])c2C)CC1 1831344213 YWJSSWXVIIVXKH-QXAHNEEPSA-N 431.508 4.242 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(N[C@H]2CCSc3ccc(F)cc32)c([N+](=O)[O-])c1 15140816 YWBFEPQNGZBRLG-INIZCTEOSA-N 439.534 4.413 5 20 IIBD COCc1c(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)sc2cccc(F)c12 16048727 IOJAQGSUIPOBLC-UHFFFAOYSA-N 432.429 4.199 5 20 IIBD O=C(NCc1ccc(Cn2cccn2)cc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 16302199 VGXIIKCAJMZTHB-UHFFFAOYSA-N 441.491 4.382 5 20 IIBD O=C(CSc1nc2ccccc2c(=O)n1C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] 18964434 WQWKDGYPLMWSLJ-UHFFFAOYSA-N 430.873 4.024 5 20 IIBD COc1cc(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])ccc1OCc1ccccc1 22811842 YVLKYEYOMRHDRC-UHFFFAOYSA-N 442.493 4.198 5 20 IIBD CCOc1ccc(C(=O)O[C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-] 25387730 BFFKLZRUONPPJX-KBPBESRZSA-N 426.425 4.162 5 20 IIBD COc1cc([C@H](C)NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)ccc1OC(C)C 26939936 UVORIHBNYOUWBX-KRWDZBQOSA-N 441.528 4.484 5 20 IIBD CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] 36719063 SSCUQIVTIUZOGX-UHFFFAOYSA-N 429.782 4.156 5 20 IIBD O=C(c1cccc2ccccc12)N1CCC(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 57837356 XJRMJIQRAGHIIW-UHFFFAOYSA-N 429.476 4.190 5 20 IIBD NC(=O)c1ccc(SCC(=O)N(Cc2cccs2)c2ccc(F)cc2)c([N+](=O)[O-])c1 59781537 OOFPFDHLKNPUSY-UHFFFAOYSA-N 445.497 4.220 5 20 IIBD CCCN(CCC)C(=O)c1ccc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc1 60443414 ARIISMLUBHBPQL-UHFFFAOYSA-N 433.530 4.275 5 20 IIBD COc1ccc(CCNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c(OC)c1 63683891 UBTJMVJYPDFWLW-UHFFFAOYSA-N 435.480 4.197 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1nc2ccccc2nc1N1CCCC1 64783160 CEGUTEQCBRNIMC-CYBMUJFWSA-N 441.875 4.198 5 20 IIBD COc1ccc(CCCNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC 64941798 GNANUZUJWCTCQI-UHFFFAOYSA-N 427.482 4.098 5 20 IIBD CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cc([N+](=O)[O-])ccc1Cl 68979706 KKVTZOVTURPGRV-UHFFFAOYSA-N 429.782 4.156 5 20 IIBD O=C(NCCNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)c1ccccc1Cl 71956135 UZROBELXLNINIK-UHFFFAOYSA-N 439.855 4.200 5 20 IIBD COc1ccc(NC(C)=O)c(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 115760622 MATGKCKZNRROJX-UHFFFAOYSA-N 434.452 4.426 5 20 IIBD COCCn1ncc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)cc21 116175968 YWQVGXVNGGKDHF-UHFFFAOYSA-N 437.500 4.080 5 20 IIBD CCc1cc(Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 302944463 CISONRMIJLXKGS-FQEVSTJZSA-N 433.468 4.475 5 20 IIBD O=C(Nc1cccc(COCCc2ccccc2)c1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 303426982 WACCHJOUCHICCT-UHFFFAOYSA-N 443.463 4.187 5 20 IIBD Cc1cc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)ccc1NC(=O)c1ccco1 409845611 RJHZQIZGQDNMEK-UHFFFAOYSA-N 445.435 4.401 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccccc2NC(=O)C[C@H]2C=CCC2)cc([N+](=O)[O-])c1 409982460 URCLQFMDKDKRIM-HNNXBMFYSA-N 437.452 4.319 5 20 IIBD Cc1cnc(OCC(=O)N2N=C(c3cc4ccccc4o3)C[C@H]2c2ccco2)c([N+](=O)[O-])c1 426584143 NTUQLWAILAYKOE-KRWDZBQOSA-N 446.419 4.394 5 20 IIBD Cc1cc(NCc2ccc(S(C)(=O)=O)c(Cl)c2)c(Br)cc1[N+](=O)[O-] 428661182 GWJKJYQZKODBMM-UHFFFAOYSA-N 433.711 4.335 5 20 IIBD COc1ccc(Br)c(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 429827564 INXVFEHXKNOGMO-UHFFFAOYSA-N 444.079 4.058 5 20 IIBD Cc1c(CNC(=O)N(Cc2ccc(Cl)cc2)Cc2cnn(C)c2)cccc1[N+](=O)[O-] 430954063 IMXIQHVLRUVTON-UHFFFAOYSA-N 427.892 4.202 5 20 IIBD C[C@@H](C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1OCCc2sccc21 431025110 XNQOJDFPCRCUMO-DIFFPNOSSA-N 443.447 4.153 5 20 IIBD COc1cc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)ccc1Br 431480163 BHENRQUJSLBYRB-UHFFFAOYSA-N 430.052 4.381 5 20 IIBD CCCCN1CCCC[C@@H]1CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436287499 DBBJZXSPETWKES-MRXNPFEDSA-N 427.495 4.344 5 20 IIBD CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1ccc([N+](=O)[O-])cc1O 436959345 MSRHYWHAGSATJC-UHFFFAOYSA-N 426.448 4.315 5 20 IIBD Cc1ccc([C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C)S(C)(=O)=O)cc1 437347289 MKNMOAVEHMMKEM-ZHRRBRCNSA-N 428.510 4.427 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@@H](OC1CCOCC1)c1ccccc1 437403950 IIBCINWUCZISOD-YCRPNKLZSA-N 429.473 4.050 5 20 IIBD CC(C)(CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)Cc1ccc(Cl)cc1 437638219 VMGHKXVNXXQIKR-UHFFFAOYSA-N 449.960 4.253 5 20 IIBD COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 437823880 UCNWGIWMEXNXMT-UHFFFAOYSA-N 440.500 4.045 5 20 IIBD CO[C@@H](C)c1nc(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cs1 438981917 DFQMXDVPKQQGGF-KBPBESRZSA-N 441.513 4.257 5 20 IIBD CC(C)n1cnnc1-c1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 439648680 ONNITFBBXWQNQD-ZDUSSCGKSA-N 429.864 4.494 5 20 IIBD O=C(Nc1cncc(Br)c1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444253134 XPDCITTWIIRFOB-UHFFFAOYSA-N 430.208 4.369 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)Cc1noc(CSc2ccc([N+](=O)[O-])cc2)n1 445317205 HMIVIZFBVFIDEV-UHFFFAOYSA-N 448.888 4.422 5 20 IIBD CCCCOc1ccc(/C=C\c2nc(-c3c([N+](=O)[O-])nc(C)n3C)no2)cc1OCC 445606004 XXMUIKUIQRBPPX-LUAWRHEFSA-N 427.461 4.435 5 20 IIBD COc1ccc(Br)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 445993471 SZBFVCYQBKZPPX-UHFFFAOYSA-N 444.079 4.310 5 20 IIBD COc1ccc(CN(Cc2ccccc2)C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 446903991 GWGUCSVVONLCPB-UHFFFAOYSA-N 445.479 4.392 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3C[C@@H](C)C(=O)Nc4ccccc43)cc2[N+](=O)[O-])C1 460110977 PTMRQIKULOSYJM-BRWVUGGUSA-N 436.512 4.312 5 20 IIBD C[C@@H](c1c(F)cccc1F)N(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCOC1 461681119 CBMCACDLRWFDOR-GJZGRUSLSA-N 443.454 4.365 5 20 IIBD Cn1ccnc1[C@H](Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)c1ccc(F)cc1 462443061 XTETXJQXQHGATE-OAQYLSRUSA-N 433.443 4.643 5 20 IIBD Cc1[nH]c2ccccc2c1C1=CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 463662620 FUDFKGKSRZGEOW-UHFFFAOYSA-N 448.504 4.411 5 20 IIBD CCN(C(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@@H](c1cccnc1)c1ccc(F)c(F)c1 463848087 OQKJHZJIEMFQEO-HSZRJFAPSA-N 440.450 4.342 5 20 IIBD C[C@@H](CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)Oc1ccc(F)cc1 463948486 XTYPOOBIIYTFAO-HOTGVXAUSA-N 438.459 4.499 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCC1 464024807 HBQKYTWUPYKYHK-UHFFFAOYSA-N 449.429 4.407 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCOC[C@@H]2c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 464715387 XWYHWDMSWGHIKQ-UZUQRXQVSA-N 432.480 4.377 5 20 IIBD CC[C@@H]1Oc2cc([C@@H](C)N=c3cc(C)[nH]c(-c4ccc([N+](=O)[O-])cc4)n3)ccc2NC1=O 467012999 LFQXKESBFQHWBU-KUHUBIRLSA-N 433.468 4.065 5 20 IIBD Cc1cc(-c2noc([C@H](C)NC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)n2)ccc1F 467215115 FJMVRHRWBXRQQZ-NSHDSACASA-N 433.827 4.306 5 20 IIBD COc1ccc(-c2ccc(CN3CCN([C@@H](C)c4nccs4)CC3)o2)c([N+](=O)[O-])c1 468548311 NXHLWELTPJNRBO-HNNXBMFYSA-N 428.514 4.199 5 20 IIBD COc1cc(S(=O)(=O)Nc2nc(C)c(Cc3ccc(C)cc3)s2)ccc1[N+](=O)[O-] 469339537 FIVYTJJAERBAGG-UHFFFAOYSA-N 433.511 4.068 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1C[C@H](c2ccccc2)c2ccccc21 470215288 UXAKSYBNYAMTII-OAQYLSRUSA-N 429.476 4.224 5 20 IIBD Cc1nc(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)oc1-c1ccc(Cl)cc1 473585945 UUMTYLUGDMMSJV-UHFFFAOYSA-N 437.843 4.327 5 20 IIBD CCOC(=O)[C@@H](NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 475140777 SUMXFBCPHJPIHK-IERDGZPVSA-N 448.903 4.488 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)[C@H](C)c1cn(C)c2ccccc12)c1ccccc1[N+](=O)[O-] 475405278 UFKOEQIQOMLYLL-OXQOHEQNSA-N 437.496 4.389 5 20 IIBD Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 477439912 BPQDOKCYARKWOS-CYBMUJFWSA-N 445.451 4.027 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F 478456925 SLBSHNOMRJYONT-OAHLLOKOSA-N 447.207 4.148 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCc3cc(Br)cc(F)c32)cc1OC 479187042 AWLLGKSPLBJPIC-UHFFFAOYSA-N 439.237 4.107 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 479233756 HJFKKTZWYXHHJT-SFHVURJKSA-N 449.232 4.456 5 20 IIBD CCc1[nH]nc(C(=O)N(CC)Cc2ccc(OCc3cccs3)c(OC)c2)c1[N+](=O)[O-] 479524134 FAXMGVWZHYFXHY-UHFFFAOYSA-N 444.513 4.192 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1-c1ncco1 481592928 OKLMQTCHWMEHSA-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD CNC(=O)c1ccc(OC)c(NC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)c1 484153584 BSQOGSLDGFLECR-UHFFFAOYSA-N 431.514 4.354 5 20 IIBD COc1cc(C(=O)N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)c([N+](=O)[O-])cc1OC(F)F 484857559 KVLNEICKLIQAMY-CYBMUJFWSA-N 440.374 4.376 5 20 IIBD O=C1CCC(c2ccc(NC(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)cc2)=NN1 485603716 DDSHHNUSWYFCKK-UHFFFAOYSA-N 443.463 4.073 5 20 IIBD CCNc1ccc(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1[N+](=O)[O-] 485840624 FDXHENBTYZJDOS-UHFFFAOYSA-N 430.420 4.080 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1 485851820 ZNMMBVPOWWUVLO-UHFFFAOYSA-N 439.497 4.172 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 486168063 VGNWSNIBLGJKDJ-HNNXBMFYSA-N 446.548 4.089 5 20 IIBD O=C(Nc1ccccc1OCCc1ccccc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 487854662 CSNHXEMEJLINHB-UHFFFAOYSA-N 435.484 4.282 5 20 IIBD O=C(CNc1ccc(F)cc1-c1ccc(F)cc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 488028534 OFANWNYFMZRLRQ-UHFFFAOYSA-N 427.363 4.319 5 20 IIBD CC(C)(C)[C@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1cccc(F)c1 488847321 YQNNOHJCNDPONB-HXUWFJFHSA-N 429.448 4.326 5 20 IIBD C[C@@H](c1ccc(F)c(F)c1)N(C)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 488882293 CBGPKJRWUJCLGR-VIFPVBQESA-N 435.246 4.017 5 20 IIBD O=C(Nc1ccc(Br)c(Cl)c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 488949670 SZLWOQTVJHGOPX-UHFFFAOYSA-N 428.674 4.076 5 20 IIBD CCN(c1ccccc1F)S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC 491596724 NGGZVVCVMXATRJ-UHFFFAOYSA-N 447.282 4.029 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 492877848 MYQGNBWHFRNVCQ-GJZGRUSLSA-N 437.949 4.105 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1c2ccccc2CC[C@@H]1n1ccnc1 494550128 UAXKGXJZNBXFBM-XZOQPEGZSA-N 433.512 4.342 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NCc1cc(Br)cs1 494733255 DXUCMMXLWGDCAX-UHFFFAOYSA-N 438.225 4.437 5 20 IIBD CS(=O)(=O)c1cccc(NCc2cccc(COCc3ccccc3)c2)c1[N+](=O)[O-] 497533208 MDZZTGNBFKQIPB-UHFFFAOYSA-N 426.494 4.327 5 20 IIBD O=C(NCC1=CCCOC1)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 497825914 JYLWEBDOKVRCQC-UHFFFAOYSA-N 435.839 4.326 5 20 IIBD COc1cc(OCC(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)ccc1[N+](=O)[O-] 503867602 AFJGVPSSQOAOTE-IBGZPJMESA-N 441.871 4.131 5 20 IIBD C[C@H](c1ccccc1F)N1CCC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1=O 505422777 QYXQAXSBXMJQDW-FZKQIMNGSA-N 441.484 4.431 5 20 IIBD CCOc1ccc(S(=O)(=O)N(Cc2ccco2)Cc2c(F)cccc2[N+](=O)[O-])cc1 505584026 CUPKTTXCGAGWIP-UHFFFAOYSA-N 434.445 4.117 5 20 IIBD Cc1cc(OCC(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)ccc1[N+](=O)[O-] 505848177 NOUVHFBQAFHYPL-UHFFFAOYSA-N 444.875 4.423 5 20 IIBD CCCN(C(=O)Cn1cnc([N+](=O)[O-])n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 506231055 DWRXJBWHIVCOHI-UHFFFAOYSA-N 441.300 4.060 5 20 IIBD COc1ccc(Br)cc1[C@@H]1CCCN1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] 507198336 VRNATWBYUZUXJY-INIZCTEOSA-N 448.317 4.450 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCc3cccnc3OC3CCCC3)cc2)c(C)c1[N+](=O)[O-] 509492490 CXFMNOKSIQHPJZ-UHFFFAOYSA-N 449.511 4.103 5 20 IIBD CC1CCN(C(=O)C2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)CC1 510421557 LKWYQEWJQBKQCE-UHFFFAOYSA-N 428.558 4.189 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2C(=O)N[C@](C)(c3cccs3)C2=O)cc1OC 513640995 VFQMRASGDAZLQV-YEJXKQKISA-N 447.513 4.057 5 20 IIBD O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCc1ccccc1[N+](=O)[O-] 515485338 SHMVIULFRBUSJN-HXUWFJFHSA-N 437.883 4.426 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(-c2noc(-c3cccc(SC)c3[N+](=O)[O-])n2)cc1 516484412 SQPKDXCMIAITGW-UHFFFAOYSA-N 448.526 4.064 5 20 IIBD Cc1ccc(Nc2nnc(S[C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)s2)cc1 518789388 PUKJYQOEACGUKT-INIZCTEOSA-N 427.511 4.396 5 20 IIBD COc1ccccc1CNC(=O)[C@H](C)SCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 519612943 WWNGGDQUILFQQY-AWEZNQCLSA-N 427.482 4.197 5 20 IIBD CCOc1cc(C(=O)NCC2(N[C@@H](C)c3ccccc3)CCCC2)c([N+](=O)[O-])cc1OC 520289337 CXTJOYVNXXRZDJ-KRWDZBQOSA-N 441.528 4.396 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(NC(=O)c2ccncc2)c1 520389902 VSCSKFIAUGCLKE-ZDUSSCGKSA-N 440.843 4.302 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2F)c1 520860804 RHVAZYGERWTZBI-UHFFFAOYSA-N 443.172 4.316 5 20 IIBD Cc1c([C@@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C(C)C)oc2ccccc12 522111422 ZIVQECSVSAIOCX-NRFANRHFSA-N 437.500 4.273 5 20 IIBD COC(=O)c1cc(NC(=O)Cc2sc(C)nc2-c2ccc(C)cc2)cc([N+](=O)[O-])c1 522871462 USAXXWGIGMUAQO-UHFFFAOYSA-N 425.466 4.303 5 20 IIBD Cc1c(Cl)ccc2c1N(C(=O)CCCn1c(=O)oc3cc([N+](=O)[O-])ccc31)CCC2 522882397 ZXLQABTWJKPXDM-UHFFFAOYSA-N 429.860 4.224 5 20 IIBD C[C@@H]1C[C@@H](N(C)c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CCN1Cc1ccccc1 523088653 UWLKRPHLHLUTPT-NQIIRXRSSA-N 447.539 4.049 5 20 IIBD CCCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CCN(C(=O)c2ccccc2)CC1 524001498 XFFNBCCCOOBESO-UHFFFAOYSA-N 443.931 4.334 5 20 IIBD CN(Cc1ccco1)Cc1ccccc1CNC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 525095658 IIQXGXVUUCSFES-UHFFFAOYSA-N 446.463 4.004 5 20 IIBD CCCN(C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@@H]1C[C@@H](OCC)C1(C)C 525377207 OCHDHHQDTYDBNP-IAGOWNOFSA-N 430.448 4.261 5 20 IIBD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)ccc21 531774631 LLJMVQKVQSXMCB-UHFFFAOYSA-N 449.511 4.008 5 20 IIBD O=C(NCC(=O)N(CCc1ccc(F)cc1)C1CCCC1)c1c(Cl)cccc1[N+](=O)[O-] 532305692 LIZPZTJNBPDVDU-UHFFFAOYSA-N 447.894 4.131 5 20 IIBD CCOC(=O)c1cc2cc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)ccc2s1 533603996 HICCLTUADJAJJZ-UHFFFAOYSA-N 428.422 4.010 5 20 IIBD Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc34)c12 534009705 HDPKXWBSROEUBI-UHFFFAOYSA-N 433.472 4.409 5 20 IIBD CN1CC[C@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@H]1c1ccc(Cl)c(F)c1 534265268 RPVJNJSUNGSPEK-JLTOFOAXSA-N 430.867 4.291 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3 535010349 OUYVDXMUZOXCJH-UHFFFAOYSA-N 438.509 4.251 5 20 IIBD COc1ccc(Cl)c(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)c1 535021840 RYQFJBZUVVTYDB-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CS(=O)(=O)Cc3ncc(-c4ccccc4F)o3)co2)cc1 535510731 KDXNVYMULVRLJI-UHFFFAOYSA-N 443.412 4.159 5 20 IIBD COc1ccc(CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 535852376 VZBJPBBKZHWFGY-GCJKJVERSA-N 436.512 4.462 5 20 IIBD CC[C@@H]1Oc2cc([C@@H](C)NCCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)ccc2NC1=O 537154605 WBCHWCDLOKRSHN-KUHUBIRLSA-N 436.468 4.253 5 20 IIBD O=C(NCc1cccc(O)n1)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 538594617 FCWNRNTUIBNIPK-UHFFFAOYSA-N 438.490 4.386 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCNC(=O)c1ccccc1Cl 538596993 FDXVBCXJANAOHV-UHFFFAOYSA-N 435.933 4.300 5 20 IIBD Cc1noc(C)c1COc1ccccc1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 538700830 IOIAEDAQWNRHFI-UHFFFAOYSA-N 429.860 4.405 5 20 IIBD O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 541797703 YNOFUXPDLKFXHK-UHFFFAOYSA-N 429.889 4.385 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C 542259203 HGHILHMOMQIABV-UHFFFAOYSA-N 435.440 4.119 5 20 IIBD COC(=O)c1cc(Br)ccc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F 543443258 YUYOMIOPTAAXOG-VIFPVBQESA-N 425.210 4.025 5 20 IIBD Cc1cnc([C@H](C)CNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)s1 543501655 VRMOXXYYGFAUSA-SECBINFHSA-N 440.312 4.386 5 20 IIBD COc1ccc(Oc2cc(CNC(=O)CSc3ccccc3[N+](=O)[O-])ccn2)cc1 544074749 STSWPBIJSNLNSK-UHFFFAOYSA-N 425.466 4.199 5 20 IIBD CN([C@@H]1CCSc2ccc(Br)cc21)S(=O)(=O)c1cccc([N+](=O)[O-])c1 545469426 KYEHOCNAAKDESW-OAHLLOKOSA-N 443.344 4.215 5 20 IIBD COc1cc(/C=C\c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)cc(OC)c1OC 545853870 DIDOGVNREXASRF-DAXSKMNVSA-N 436.424 4.246 5 20 IIBD COC(=O)[C@](C)(NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])C1CC1 545928140 BGLHTGLHKJXJLU-HXUWFJFHSA-N 434.901 4.471 5 20 IIBD CC(C)(C)Oc1ccc(CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])c(C(F)(F)F)c1 546761449 KSAGJLLQUVICRR-UHFFFAOYSA-N 447.435 4.050 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(-c2nc(-c3cccnc3OCC(F)F)no2)c1 547255786 FXCZOYIZBHMGQK-UHFFFAOYSA-N 427.161 4.113 5 20 IIBD COc1ccc(CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC2CCC2)c(OC)c1 548931840 DJHUTMDQTHEEJE-UHFFFAOYSA-N 438.484 4.464 5 20 IIBD O=C(Nc1cccc(I)c1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 549300749 WQBVYJWFTRRIOC-UHFFFAOYSA-N 436.127 4.471 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc4ccn(C)c(=O)c4c3)cc2[N+](=O)[O-])C1 552811028 GARYWVVQSQMDTI-IYBDPMFKSA-N 434.496 4.181 5 20 IIBD O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 561181472 CEEWTHOFPWFJMZ-VSKRKVRLSA-N 429.476 4.302 5 20 IIBD CC(C)OCc1nc([C@@H](C)Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])no1 567092537 MYARYJJCJWOSMY-MRVPVSSYSA-N 425.314 4.125 5 20 IIBD COc1ccc(CC(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CCC3)cc1[N+](=O)[O-] 570569100 KPQMZEJGWOJINN-UHFFFAOYSA-N 426.860 4.112 5 20 IIBD COc1cc(Cc2noc(-c3ccc(C)cc3Br)n2)c([N+](=O)[O-])c(OC)c1 584106818 OCDVIXCWOCUPHW-UHFFFAOYSA-N 434.246 4.324 5 20 IIBD COc1ccc([C@@H](NCc2cc(I)cc([N+](=O)[O-])c2)C2CC2)cc1 589258432 QBKXGZCFZUSECK-SFHVURJKSA-N 438.265 4.449 5 20 IIBD CN(Cc1ccc(Br)cc1F)c1ccc([N+](=O)[O-])c(N2CCOCC2)c1F 600853359 VEABDJJDFCHXHI-UHFFFAOYSA-N 442.260 4.109 5 20 IIBD CSc1ccc(C(=O)NCc2cccc(C(=O)NCc3ccc(C)cc3)c2)cc1[N+](=O)[O-] 603761998 WUURXWAQVSWZTM-UHFFFAOYSA-N 449.532 4.485 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 604447093 LQPHODWQQFRSPF-YOEHRIQHSA-N 434.876 4.215 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)c2ccccc2C(F)(F)F)ccc1[N+](=O)[O-] 608806557 PTQPZMHADOVWMW-LIRRHRJNSA-N 449.429 4.404 5 20 IIBD C[C@H](C[C@H]1CCCO1)NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 608819956 MKSRWCQNOPAFGL-VGOFRKELSA-N 434.496 4.064 5 20 IIBD O=C(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)NCc1ccc(-c2ccc(Cl)cc2)o1 608868213 UHIDBSZWVUAEFK-UHFFFAOYSA-N 437.843 4.083 5 20 IIBD O=C(NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)Nc1ccc([N+](=O)[O-])cc1Cl 608887683 PFOJZSRXUFOFOA-SFHVURJKSA-N 439.299 4.097 5 20 IIBD Cc1ccc(-c2nsc(NC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)n2)s1 608945168 YIFGHEOTSJZMDI-UHFFFAOYSA-N 426.483 4.136 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc([C@@H](C)N2CCOCC2)c1 609182638 BWVPNIFIHYWXFR-HUUCEWRRSA-N 433.892 4.047 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 609202345 OJGYDTGCKRTQBY-LJQANCHMSA-N 441.875 4.031 5 20 IIBD COC(=O)c1cc(NC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)cc([N+](=O)[O-])c1 609838487 VCTISSAUQDQTHS-UHFFFAOYSA-N 442.859 4.019 5 20 IIBD O=C(Nc1cccc(Br)c1)C1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 609892724 PQZTUOIFXYJNGQ-UHFFFAOYSA-N 439.697 4.261 5 20 IIBD Cc1nc([C@@H]2CCCCN2C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)no1 609975735 RXFZYOSODVQMOP-DOXZYTNZSA-N 427.505 4.136 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1ccccc1SCC(=O)N1CCCC1 610046979 TUWSWCGCZWSLHX-UHFFFAOYSA-N 441.553 4.062 5 20 IIBD COc1cc(C(=O)Nc2cc(F)c(F)c(F)c2)c([N+](=O)[O-])cc1OCc1cscn1 610154233 CCSXNQMZYIRNSN-UHFFFAOYSA-N 439.371 4.309 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C(F)(F)F 610927156 BKYWCUXYBWZMQD-HXUWFJFHSA-N 432.402 4.360 5 20 IIBD Cc1cc(CNC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)ncn1 611138904 VYQJTOQIYBNIAY-UHFFFAOYSA-N 437.506 4.384 5 20 IIBD COC(=O)C(C)(C)[C@H]1CCCN(C(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)C1 611333007 JIEUFYYJQSXOBX-SCTDSRPQSA-N 445.560 4.129 5 20 IIBD COC(=O)C(C)(C)[C@@H]1CCCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 618585243 QEBQGNFAALPRQT-SNVBAGLBSA-N 425.354 4.060 5 20 IIBD COc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1C 619619691 BTIGZRIEJIDQJT-NSHDSACASA-N 447.904 4.172 5 20 IIBD O=C(N[C@H]1C[C@@H]1c1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 726566865 BIIMRRQBOFGGPC-AEFFLSMTSA-N 430.302 4.243 5 20 IIBD COc1ccc(C(=O)N[C@H](C(=O)OCc2cccc([N+](=O)[O-])c2C)c2ccccc2)cc1 727195372 DZFYBFCXFDSBOP-QFIPXVFZSA-N 434.448 4.126 5 20 IIBD O=C(OCc1cccc2cccnc12)c1ccc(I)c([N+](=O)[O-])c1 727520490 GSELXWQMIOMEMT-UHFFFAOYSA-N 434.189 4.105 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCCN1C(=O)OC(C)(C)C 729048496 HHHAQGOVPDEEIY-LJQANCHMSA-N 434.537 4.304 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@H](Cn3ccnc3)C(C)(C)C)cc2[N+](=O)[O-])C1 729337883 LUFDHXFBXRBQER-CBGDNZLLSA-N 427.549 4.118 5 20 IIBD C[C@@H](Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)C(=O)Nc1ccccc1[N+](=O)[O-] 732228118 JFRDRFVKPZKPGA-OAHLLOKOSA-N 440.500 4.327 5 20 IIBD CCCNC(=O)c1ccc(Cl)cc1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 735001019 JOJLJKHFICTBMC-UHFFFAOYSA-N 440.283 4.449 5 20 IIBD C[C@@H](OC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1Cl 735149772 VRBLQUDCHLTSLO-SNVBAGLBSA-N 445.230 4.380 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OC2CCN(c3ccc(Cl)cn3)CC2)cc1SC 735217101 RLBNQJCURKFGNQ-UHFFFAOYSA-N 437.905 4.200 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@@H]2CCCN(c3cc(C)ccc3F)C2=O)cc1SC 735716350 DSVDLGFCANZSQA-QGZVFWFLSA-N 448.472 4.125 5 20 IIBD Cc1c(Cl)cccc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Br 740411020 UZRTUJSIEZTGTC-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD CNC(=O)c1cc(C)ccc1NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 741199617 VFZFSJMOTPAYTJ-HNNXBMFYSA-N 433.468 4.083 5 20 IIBD C[C@@](O)(CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccco1 743651484 KVSYJISPYRQMDK-OAQYLSRUSA-N 429.860 4.091 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1[N+](=O)[O-] 743805771 QBTVDGYZNVFDAL-SNVBAGLBSA-N 431.792 4.006 5 20 IIBD Cc1sc2nc([C@H](C)OC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)nc(O)c2c1C 744616358 PVOBXRLLVGRAGX-NSHDSACASA-N 426.454 4.181 5 20 IIBD O=C(COC(=O)[C@H]1SCCc2sccc21)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 745635977 KJASATHORJAFHA-HNNXBMFYSA-N 446.428 4.187 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(Cn2nc(C3CC3)sc2=S)CC1 746374969 SNOKQLWPJQBCGY-UHFFFAOYSA-N 445.492 4.258 5 20 IIBD Cc1c(C(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748618610 UXDRIDHLPCOVHY-UHFFFAOYSA-N 441.425 4.081 5 20 IIBD Cc1c(C(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748624906 UPNCNLLFYSVDNA-UHFFFAOYSA-N 432.396 4.082 5 20 IIBD C[C@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1cc2c(cc1Br)OCCO2 749915442 HAXXQNWWRGOBLT-VIFPVBQESA-N 441.665 4.273 5 20 IIBD CCCN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1CCN(C(=O)c2ccccc2)CC1 751237759 WIPNHJLMZRSTMU-UHFFFAOYSA-N 429.904 4.405 5 20 IIBD CS(=O)(=O)Cc1cccc(C(=O)OCc2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)c1 752213287 MNUUDHTYFSLDRQ-UHFFFAOYSA-N 441.461 4.289 5 20 IIBD COc1ccc([C@H](NC(=O)COC(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C(C)C)cc1 754991663 XSYAOHWUAXPUQR-LJQANCHMSA-N 438.839 4.066 5 20 IIBD CCOc1cc2c(cc1OCC)CN(C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)CC2 756965990 RMSLKGRRQGJOMG-UHFFFAOYSA-N 433.892 4.314 5 20 IIBD C[C@H](OC(=O)C(F)(F)c1c(F)cccc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 757827293 QRZJGZTXQICHKA-VIFPVBQESA-N 425.294 4.319 5 20 IIBD CN(CCC1CCN(c2ccncc2)CC1)Cc1ccc(Br)c([N+](=O)[O-])c1 757913219 SRZZOJDYADZCIA-UHFFFAOYSA-N 433.350 4.491 5 20 IIBD Cc1cc(F)c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1F 758084803 MWTBSAMWPDXZCD-SECBINFHSA-N 432.301 4.384 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)nc1)c1cccc([N+](=O)[O-])c1 758516680 NROIMTTXOCSWGQ-IQBZNYMQSA-N 443.887 4.285 5 20 IIBD COc1cc(/C=C\C(=O)N2CCc3cc([N+](=O)[O-])ccc32)ccc1OCc1c(C)noc1C 758719507 YCKKUMWSSQTQKE-UITAMQMPSA-N 449.463 4.390 5 20 IIBD CC(=O)c1ccc(N(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)c([N+](=O)[O-])c1 759698078 UZUZOIKLWRZCGB-UHFFFAOYSA-N 433.464 4.489 5 20 IIBD Cc1nn(CN2CCO[C@@H](c3cccc(Br)c3)C2)c2cc([N+](=O)[O-])ccc12 761291939 WYAFKPNHVMXQEN-LJQANCHMSA-N 431.290 4.046 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)cc1[N+](=O)[O-] 762449875 UJRFWZCCFHLSJC-UHFFFAOYSA-N 444.366 4.048 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(CC[C@H](O)c2ccccc2)cc1 762995131 AWRYLPURDZTEJG-QHCPKHFHSA-N 447.491 4.020 5 20 IIBD Cc1nc2ccc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2s1 763526185 SXJXXNCYXJWDSO-UHFFFAOYSA-N 439.371 4.327 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1ccc([N+](=O)[O-])c2cccnc12 766230984 RZENDUDRBXWVAX-QGZVFWFLSA-N 445.353 4.124 5 20 IIBD CC(=O)c1cccc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 767436020 WVXMQBIZIZPXOT-ZDUSSCGKSA-N 439.449 4.105 5 20 IIBD O=C(OCc1cc(=O)c(O)co1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 767740814 JKDSXIKCCDZOTH-UHFFFAOYSA-N 433.825 4.415 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)cs1 768882618 UJYYDUITBOPEBR-AREMUKBSSA-N 428.557 4.039 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 769886177 FXGZXTSIMXCOAN-GFCCVEGCSA-N 435.820 4.266 5 20 IIBD CCc1nc2ccccc2n1C1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 771800539 KIXDUKKQYLCZTK-UHFFFAOYSA-N 448.932 4.186 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1 772284845 CCHJPGVNDVNMBO-UHFFFAOYSA-N 443.456 4.354 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C3)cs1 772859996 WRAOPDGEGZTMDW-UHFFFAOYSA-N 428.539 4.353 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc([C@H](O)c3ccccn3)ccc2C)cc1OC 773614011 XNDXIWNRVRFCAC-QFIPXVFZSA-N 437.452 4.040 5 20 IIBD O=C(O[C@@H]1CCO[C@@]2(CCOC2)C1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 774979497 UDAOJVTWMFCUMD-VGSWGCGISA-N 446.887 4.355 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1 778025704 ZFFBGXHKVKKXAY-UHFFFAOYSA-N 441.484 4.458 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)cc1[N+](=O)[O-] 779329371 XEGFTRVXCOSTKS-AWEZNQCLSA-N 449.288 4.446 5 20 IIBD CC(C)c1ccc([C@@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])NC(=O)OC(C)(C)C)cc1 779511185 GVCWVUNCRAJKJJ-GOSISDBHSA-N 442.516 4.296 5 20 IIBD COc1ccc(OCCOC(=O)c2csc(Cc3cccc(F)c3)n2)c([N+](=O)[O-])c1 780189958 LATHHAITLZFTLV-UHFFFAOYSA-N 432.429 4.026 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C 780281998 BZIHQOIYWWLZHY-UHFFFAOYSA-N 433.442 4.109 5 20 IIBD Cc1nc2cc(NS(=O)(=O)c3cc(Br)cc([N+](=O)[O-])c3)ccc2s1 781121206 XODSWOMLAUVTNU-UHFFFAOYSA-N 428.289 4.076 5 20 IIBD CCCCC[C@@H](C)NC(=O)COC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781256990 IQFJKBIDPPTBPW-CYBMUJFWSA-N 430.451 4.201 5 20 IIBD CC(C)CNC(=O)c1cccc(COC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1 781269648 XJSZHNHPSRFJQC-UHFFFAOYSA-N 428.488 4.424 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(OC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 781807384 CEGWAMNQWAAMQB-UHFFFAOYSA-N 431.401 4.388 5 20 IIBD O=C(Cn1c(COc2ccccc2)nc2ccccc21)OCc1ccc([N+](=O)[O-])c(F)c1 781890743 YPCMYXTVIWFLPS-UHFFFAOYSA-N 435.411 4.406 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCC[C@@H]1COc1ccc(Cl)cc1 781939351 DTASVGWXFBSKMD-QGZVFWFLSA-N 433.848 4.159 5 20 IIBD CC(C)(C)OC(=O)NCCOc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 784127672 ZOXKYDMIVHFPSW-AWNIVKPZSA-N 427.457 4.150 5 20 IIBD O=C(N[C@@H]1CC[C@@H]2SCCS[C@H]21)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 784466578 DIBVSHATEGOGBQ-HOJAQTOUSA-N 430.551 4.283 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N(CCc1ccc(F)cc1)C1CCCC1 785227410 QTHMRILFGIKLEE-UHFFFAOYSA-N 433.867 4.340 5 20 IIBD CCc1c(C(=O)OC2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)cnn1C1CCCC1 789377901 CRIXZKQNSSEVTQ-UHFFFAOYSA-N 442.516 4.303 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@H]1C[C@H]1c1cccc(Br)c1 790550353 AIITUFGHPYEUFL-SWLSCSKDSA-N 427.657 4.365 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Oc2ccc(C(F)(F)F)cc2F)c(C)c1[N+](=O)[O-] 795225560 IXRWXNOHMXWJBL-UHFFFAOYSA-N 438.311 4.045 5 20 IIBD CC(C)(C)OC(=O)NC[C@]1(C)CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 801032035 TYNLUTVCADVGPJ-NRFANRHFSA-N 446.529 4.095 5 20 IIBD CC(=O)OCCCc1cccc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c1 803098703 SOIYDOMIFFIDKK-UHFFFAOYSA-N 435.274 4.414 5 20 IIBD O=C1CCC(COC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 803256150 FVISFWCYIORGHO-UHFFFAOYSA-N 430.844 4.417 5 20 IIBD Cn1cc(C(=O)Oc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)c(C2CC2)n1 810531499 JPOGCJZXHFQLTF-UHFFFAOYSA-N 431.404 4.198 5 20 IIBD O=C(N[C@@H](c1ccccc1)[C@H](O)c1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 811548627 DKRUUQDOUQAOOV-BJKOFHAPSA-N 431.492 4.400 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@@H](c1ccccc1)[C@H](O)c1ccccc1 811549764 YMEVNOWDHNIQDQ-UKILVPOCSA-N 443.459 4.113 5 20 IIBD COc1cc(C(=O)N(C)[C@H]2CC(C)(C)OC2=O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 817076551 OPZQTVXLFOXNNN-HNNXBMFYSA-N 448.859 4.215 5 20 IIBD O=C1/C(=C/NNc2ccccc2[N+](=O)[O-])c2ccccc2C(=O)N1c1ccccc1Cl 912742278 KVJACGRNBAQHJV-DTQAZKPQSA-N 434.839 4.393 5 20 IIBD O=C(O[C@@H](C(=O)NCc1ccccc1)c1ccccc1)c1cc2cc([N+](=O)[O-])ccc2[nH]1 917329336 GVAOIBOYKUHBKU-JOCHJYFZSA-N 429.432 4.291 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1Br 918142857 RRMCARPKGRYZNR-UHFFFAOYSA-N 425.182 4.177 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)OC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 919212731 VRFWNTYKSNSTRM-HNNXBMFYSA-N 448.435 4.328 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 919447725 WUWUBBZBNFKHNW-JKSUJKDBSA-N 444.484 4.373 5 20 IIBD O=c1cc(C(F)(F)F)c2ccc(OS(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2o1 920314144 KVTKKOIJSXVXJQ-UHFFFAOYSA-N 449.746 4.141 5 20 IIBD O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1nc(-c2ccccc2)oc1C1CC1 1116018326 GZMXZWHCEJWQOA-SFHVURJKSA-N 433.420 4.090 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(OC)c2Br)cc1OC 1338191066 YMRPLWAWFCXXCI-UHFFFAOYSA-N 425.235 4.026 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)c3cc(F)c[nH]3)CCC2)cc1 1785795212 CAJAPWGOSIMBQM-UHFFFAOYSA-N 436.443 4.052 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)C(F)(F)Cl)CCC2)cc1)c1ccc([N+](=O)[O-])cc1F 1790625172 VGBDYIMCPVJRIT-UHFFFAOYSA-N 441.793 4.313 5 20 IIBD CC(C)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 1801206750 HOIBYMIWEYJPDY-BJWYYQGGSA-N 429.542 4.498 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)c1ccccc1 1804328343 SIJHAZANBWNOCT-FZDIXFNVSA-N 439.487 4.098 5 20 IIBD CC(C)(C)CC(=O)N1CCCC2(CCN(C(=O)CSc3ccccc3[N+](=O)[O-])CC2)C1 1809043407 UDQXAZJZDFRTDQ-UHFFFAOYSA-N 447.601 4.354 5 20 IIBD C[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1)c1cccs1 1823618238 RGDOFGSJMRZOMB-RDJZCZTQSA-N 445.541 4.286 5 20 IIBD Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CC3CCCC3)CC2)ncc1[N+](=O)[O-] 1826261179 SYQDRHZXZSWKBK-NRFANRHFSA-N 442.560 4.112 5 20 IIBD C[C@@H]1CCC[C@H]1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1828485182 CBOMUIMEJOJVOA-BLIXFSHQSA-N 445.535 4.403 5 20 IIBD CC[C@H](C)CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830613257 WDWUWIWHWXUPRF-HRAATJIYSA-N 433.524 4.403 5 20 IIBD O=C([C@@H]1CCC[C@H]2CCCC[C@H]21)N1CC2(CCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)C1 1841443974 NAUHAUHJLSAIIX-NMAUIJKUSA-N 441.528 4.011 5 20 IIBD Cc1ccc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](c2ccccc2)C(C)C)cc1[N+](=O)[O-] 1847618215 LUXXEKLDWZSZEB-WRALFONMSA-N 449.551 4.087 5 20 IIBD O=C(CSc1nc2cc(Cl)cnc2[nH]1)Nc1ccc([N+](=O)[O-])cc1Br 9553060 FUYVUQCJDBLVPJ-UHFFFAOYSA-N 442.682 4.013 5 20 IIBD C[C@H](OC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)C(=O)Nc1cccc([N+](=O)[O-])c1 12269164 MMEHXDWFHUFAHJ-LBPRGKRZSA-N 445.378 4.031 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCc2ccc(Cn3cccn3)cc2)CC1 12625930 DRDLLXOAFZDICK-UHFFFAOYSA-N 433.512 4.006 5 20 IIBD O=C(COC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)Nc1ccccc1SC(F)F 14043901 BITTVYMGXJWWDV-UHFFFAOYSA-N 437.424 4.279 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])s2)ccc1C 15513514 NBZSKBAHHDROMP-UHFFFAOYSA-N 447.494 4.026 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCc1cc2ccccc2nc1Cl 19431364 AVBRLTLVTBEEDA-UHFFFAOYSA-N 441.827 4.228 5 20 IIBD O=C(COC(=O)c1csc(-c2ccc(F)cc2)n1)Nc1ccc(Cl)c([N+](=O)[O-])c1 19616406 RMRFYDXRUWDZSM-UHFFFAOYSA-N 435.820 4.306 5 20 IIBD COc1cc(/C=C(/C(=O)NCc2ccccc2)c2nc3ccccc3[nH]2)cc([N+](=O)[O-])c1O 20916438 XMIXNWARRIOLQR-GZTJUZNOSA-N 444.447 4.042 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nnc(NC2CCCCC2)s1 26367178 BUKVJNKIHIXERK-UHFFFAOYSA-N 437.547 4.320 5 20 IIBD CCN(Cc1cccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1)C(C)=O 27043895 FKRGJEPYDUSEOK-UHFFFAOYSA-N 438.528 4.452 5 20 IIBD COC(=O)c1cc(C(=O)N[C@@H](C)c2ccc(-c3csc(C)n3)cc2)cc([N+](=O)[O-])c1 30890995 QOUBDXGQWAHLML-LBPRGKRZSA-N 425.466 4.304 5 20 IIBD CCN(CC)[C@@H](CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccsc1 64420488 OCGQBFNOBLELHF-DYVFJYSZSA-N 425.938 4.276 5 20 IIBD CCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)c2)n1 71931285 MOVACUFSGYEBSK-UHFFFAOYSA-N 447.495 4.150 5 20 IIBD O=[N+]([O-])c1ccc(OCCCSc2nnc(CN3CCCC3)n2-c2ccccc2)cc1 71970978 GVHOSNZAYXSQHC-UHFFFAOYSA-N 439.541 4.333 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 72042726 RRWNHKMDKKPOMT-UHFFFAOYSA-N 431.514 4.029 5 20 IIBD O=C(c1ccccc1)c1ccc(N2CCC(NCCOc3ccccc3)CC2)c([N+](=O)[O-])c1 97596020 USKWOQNDDXFTSR-UHFFFAOYSA-N 445.519 4.463 5 20 IIBD Cc1ccc(Oc2ccccc2NC(=O)Cn2cc(Br)c([N+](=O)[O-])n2)cc1 108277304 TZODMJADNFVHEJ-UHFFFAOYSA-N 431.246 4.293 5 20 IIBD Cc1cc(Sc2ncccn2)ccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 110529142 PBOSOZXEXDWJGH-UHFFFAOYSA-N 425.426 4.313 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)ccc1[N+](=O)[O-] 217210679 KKCVETSGYSAKKC-UHFFFAOYSA-N 433.873 4.331 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC(C)(C)c1c(Cl)cccc1Cl 303278592 TWNFHMLFOLVZOF-GFCCVEGCSA-N 438.311 4.114 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 303383552 OKWZFQHIHLCZMN-UHFFFAOYSA-N 446.312 4.184 5 20 IIBD O=C(Nc1ccc(F)cc1I)c1cc2cccc([N+](=O)[O-])c2[nH]1 426859108 MTVHCERADMQNBZ-UHFFFAOYSA-N 425.157 4.072 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)N(Cc1cccc(Br)c1)C1CCOCC1 427330580 LUTCAQKDGSXEGW-UHFFFAOYSA-N 449.301 4.187 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1cccc2ccccc12)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 431153965 SOTUOXDBZNNMGB-OTWHNJEPSA-N 435.505 4.086 5 20 IIBD COc1ccc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1NC(=O)c1cccc(F)c1 433827769 CQQMZACZMKZCGJ-UHFFFAOYSA-N 441.419 4.094 5 20 IIBD COc1ccc([C@@H](C)NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc1OC 436067602 NGGNJENTQKCYSK-GFCCVEGCSA-N 438.430 4.468 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])c(C2CC2)n1)N(Cc1ccccc1)c1nc2c(s1)CCCC2 436208705 KKQIJNXEIQRQCN-UHFFFAOYSA-N 437.525 4.237 5 20 IIBD CCc1[nH]nc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1-c1ccc2c(c1)OCO2 440470673 NUXULGLMRQNKRS-UHFFFAOYSA-N 436.449 4.743 5 20 IIBD CN(CC(=O)NCc1ccccc1)C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] 440624368 ANIVWOKUGHIOSQ-UHFFFAOYSA-N 435.505 4.134 5 20 IIBD O=C(Cc1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1)Nc1ccccc1Oc1ccccc1 445327913 KYLJHJQWSIYMMI-UHFFFAOYSA-N 432.392 4.324 5 20 IIBD COc1ccc(Oc2cc(CNC(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)ccn2)cc1 447253578 ZMPKDMHBRAEXGU-UHFFFAOYSA-N 434.452 4.059 5 20 IIBD COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 447865665 YFCQFJIFFHHUIK-URXFXBBRSA-N 440.499 4.060 5 20 IIBD COc1cc(C(=O)N2CCCC[C@H]2C(=O)O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 462649294 OVNRMOWDIQBWIN-AWEZNQCLSA-N 434.832 4.128 5 20 IIBD COc1ccc(C2=NN(C(=O)COc3c(F)cccc3[N+](=O)[O-])[C@@H](c3ccco3)C2)cc1 463574992 QKEYMUMQSFHFGJ-LJQANCHMSA-N 439.399 4.092 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C[C@H]1C[C@H]2C=C[C@H]1C2)C1CCN(C)CC1 464685542 BTLAKHJYKVRULQ-XLAORIBOSA-N 447.963 4.151 5 20 IIBD O=C(Nc1ccc2cccc(Br)c2n1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 465060456 MITYBKBUPPGPHF-UHFFFAOYSA-N 438.241 4.344 5 20 IIBD CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)O[C@H](C)C2 466216352 MWEMXUBRTNDXMF-RNRVQEDPSA-N 445.903 4.326 5 20 IIBD CN(CC(C)(C)O)C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 467677296 HBFMNBQTJDACNE-FOWTUZBSSA-N 425.510 4.365 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2nnc(C(C)(C)C)s2)cc1 468418769 RMYUJZJRPZEVLS-UHFFFAOYSA-N 442.497 4.475 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(COCc2ccccc2)cc1 468712167 XMJVWGUBHRHQBV-UHFFFAOYSA-N 426.494 4.327 5 20 IIBD Nc1c(C(=O)Nc2cccc(CNC(=O)Nc3ccccc3Cl)c2)cccc1[N+](=O)[O-] 468745064 ASGCREDFMVWNQE-UHFFFAOYSA-N 439.859 4.404 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCCCC[C@@H]3c3ncon3)cc2[N+](=O)[O-])C1 469810727 SAZOEOOJFHTMGO-JTDSTZFVSA-N 427.505 4.218 5 20 IIBD Cc1ccccc1[C@H](OC[C@@H](O)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)c1ccccc1 470880555 RAJPURJAWGJXMQ-SQJMNOBHSA-N 444.491 4.329 5 20 IIBD O=C(NCCc1cccc(OCC(F)(F)F)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 475551264 XSCAYIHWCAIBKS-UHFFFAOYSA-N 437.418 4.453 5 20 IIBD Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)n2)n1 476420922 BEBLXJARVPAHGO-UHFFFAOYSA-N 425.876 4.251 5 20 IIBD CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 479623495 POBAZYBXIWHADG-ADLMAVQZSA-N 441.709 4.446 5 20 IIBD Cc1occc1C(=O)Nc1cc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)ccc1F 479716013 FOAXHTGKUQOCHJ-UHFFFAOYSA-N 449.398 4.326 5 20 IIBD CC(C)(C)c1ccc([C@@H](CC(=O)O)NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cc1 486040450 SQJWNNCASTZCEY-LJQANCHMSA-N 437.452 4.092 5 20 IIBD CNC(=O)COc1ccc(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 487615087 IDSFIJLNXLXBNJ-UHFFFAOYSA-N 437.477 4.123 5 20 IIBD Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)c2)c1 488011731 VIHDWEZJRGAXSB-MRXNPFEDSA-N 439.493 4.195 5 20 IIBD O=C(Nc1cccc(F)c1)[C@H]1CSCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 488124300 QLATZLBXGVZMNE-OAHLLOKOSA-N 431.470 4.102 5 20 IIBD CCc1c(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)cnn1-c1cccc(Cl)c1 489776864 FGMDAMKHWRCCMF-UHFFFAOYSA-N 442.859 4.344 5 20 IIBD Cc1ccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])cc1S(=O)(=O)C1CCCC1 491089154 DMODZBPXQPNBKV-UHFFFAOYSA-N 431.514 4.060 5 20 IIBD O=C(Nc1ccc(OC(F)F)c2ncccc12)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 492014107 OZDVEZFFDCQSLT-UHFFFAOYSA-N 425.351 4.182 5 20 IIBD CN(C)S(=O)(=O)c1cc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)ccc1Cl 495742102 OADPAXYNDMNNKT-UHFFFAOYSA-N 439.921 4.048 5 20 IIBD Cc1ccsc1CN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)c(Cl)c1 499300629 PCNACPCXEYRGEF-UHFFFAOYSA-N 435.864 4.152 5 20 IIBD Cc1ccc(S(=O)(=O)N[C@H](CSc2ncccc2[N+](=O)[O-])c2ccccc2)cc1 499300893 NHVUAINKALNDOS-GOSISDBHSA-N 429.523 4.110 5 20 IIBD COc1ccc(I)c(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1 499651687 DJACYNNOEJMWOR-UHFFFAOYSA-N 449.204 4.009 5 20 IIBD CN(c1ccccc1)c1ccc(CNCC(=O)N[C@H]2CCOc3ccccc32)cc1[N+](=O)[O-] 500562121 BGRLOIYLMYOQNC-NRFANRHFSA-N 446.507 4.092 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3nnc(-c4ccccn4)s3)cc2[N+](=O)[O-])C1 502873502 BEBPIRQZPIEZFI-ZIAGYGMSSA-N 438.513 4.243 5 20 IIBD CC[C@@H](NC(=O)N1CCOC[C@@H]1c1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 507569152 OCPDVJYAVLPOTH-SJLPKXTDSA-N 426.498 4.439 5 20 IIBD Cc1nc2ccccc2c2c(NC(=O)c3ccc(CS(C)(=O)=O)o3)c3ccccc3n12 508882756 RBZDJCVZAJZCRN-UHFFFAOYSA-N 433.489 4.339 5 20 IIBD CN(Cc1ccc(OCC(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 509143156 VEWGCXGBCWPKJJ-UHFFFAOYSA-N 438.811 4.010 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](CCO)c1ccc(Cl)c(Cl)c1 512162852 DDLQYGKDRZKEDN-GOSISDBHSA-N 426.300 4.252 5 20 IIBD Cc1ccc(CN[C@H](c2ccc([N+](=O)[O-])cc2)c2nccn2C)c(OC[C@H]2CCCO2)c1 513713869 UZOQDUPREWHTBZ-FYYLOGMGSA-N 436.512 4.074 5 20 IIBD Cc1c(-c2nc(-c3ccccc3OC(F)(F)F)no2)nnn1-c1cccc([N+](=O)[O-])c1 515530034 CDVQAJPNXXYDTB-UHFFFAOYSA-N 432.318 4.100 5 20 IIBD C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccc(OCc2ccccn2)c1 517912350 BVUKRCLGYPPIAM-AWEZNQCLSA-N 447.900 4.262 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl 518081701 XYBMCWAEOJIZSQ-JTQLQIEISA-N 426.256 4.068 5 20 IIBD CCCCOc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC 518120713 XWKKOACUZMGVFL-CYBMUJFWSA-N 449.891 4.252 5 20 IIBD CNC(=O)CCOc1ccc(Nc2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])cc1 520562259 CJEGEAXYYYWIHV-UHFFFAOYSA-N 448.479 4.414 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCc1nc(-c2ccc(F)cc2)n[nH]1 521347925 ZPMHDISFGWXJRX-UHFFFAOYSA-N 432.284 4.180 5 20 IIBD COc1ccc(CC[C@@H](C)Nc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)cc1 522618895 QFKJWNRNDHFZLI-CQSZACIVSA-N 428.876 4.236 5 20 IIBD CC(C)n1nc(-c2ccccc2)cc1NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 522681586 COIWMWQPFSIHNY-UHFFFAOYSA-N 441.875 4.061 5 20 IIBD Cc1ccc(NCCCNC(=O)Nc2cccc(N3CCCCC3=O)c2)c([N+](=O)[O-])c1 523559876 DDWUSNOASVDSIB-UHFFFAOYSA-N 425.489 4.044 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 524169362 LNSLZYZCSJJFSF-UHFFFAOYSA-N 441.488 4.207 5 20 IIBD CCCCN(C(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1)C1CC1 524452044 TULHAXXPUJCWND-UHFFFAOYSA-N 431.514 4.109 5 20 IIBD C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 525608315 ROYWEBBMAHOOQG-FOIQADDNSA-N 430.936 4.273 5 20 IIBD CCCOc1cc(NC(=O)Cn2c(C)nc3ccccc32)c([N+](=O)[O-])cc1OCCC 532745600 YWFZRHRNOVZYAX-UHFFFAOYSA-N 426.473 4.469 5 20 IIBD Cn1ccnc1[C@@H]1CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 533701476 GVNICIDWPPLRBN-QGZVFWFLSA-N 439.903 4.224 5 20 IIBD Cc1ccc(-c2ncco2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 535400300 CLDPDTCDFZWHHU-UHFFFAOYSA-N 427.360 4.378 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 535428171 ATWGCITZWTVDIM-UHFFFAOYSA-N 436.443 4.028 5 20 IIBD CO[C@@H](C)c1nc(CN2CCCN(C(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)CC2)cs1 536732732 WRBNZVBLKGDGPE-KRWDZBQOSA-N 446.573 4.032 5 20 IIBD C[C@@H](NCc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 536879483 XJPOHVDXTHLRDJ-OAHLLOKOSA-N 445.566 4.424 5 20 IIBD CCCCn1ccnc1-c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)c1 538456283 PELFFBKTSCGAQK-UHFFFAOYSA-N 449.511 4.347 5 20 IIBD COc1ccc(Cl)cc1C1(CNC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CCOCC1 539248082 IGALLXVAODSVFW-OAHLLOKOSA-N 447.919 4.365 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCCO2 539806614 DTIRIBVXAQEHHF-ZDUSSCGKSA-N 425.890 4.394 5 20 IIBD Cc1c(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)nnn1-c1ccccc1Cl 541128615 WRSLVVSAOCWOSG-UHFFFAOYSA-N 425.754 4.408 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 543914376 GSDFYHDTPFTXED-YPMHNXCESA-N 446.813 4.095 5 20 IIBD Cc1cc(-c2noc([C@H](C)NCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)n2)ccc1F 544519237 TZTCMAPCOUTYTK-NSHDSACASA-N 433.827 4.035 5 20 IIBD C[C@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1nccs1 544587349 BVTBUSXJGBHVGB-GFCCVEGCSA-N 442.463 4.206 5 20 IIBD COc1ccc(Br)cc1C(=O)CCc1nc(Cc2ccccc2[N+](=O)[O-])no1 545531685 BDQCLYROKOLIJV-UHFFFAOYSA-N 446.257 4.155 5 20 IIBD Cc1nn(CCc2nc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)no2)c(C)c1[N+](=O)[O-] 546384988 WZOWWQMDEISOSM-UHFFFAOYSA-N 429.440 4.244 5 20 IIBD COCC(=O)Nc1ccc(-c2noc([C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 547007848 DAEAEMWIHXDLOU-LLVKDONJSA-N 432.820 4.023 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1noc(-c2cnc3c(cnn3Cc3ccccc3)c2)n1 547084258 KTJFANCUMBMCST-UHFFFAOYSA-N 441.451 4.092 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(=O)NC1Cc2ccccc2C1 547285552 QYLOHBYQUVJWDS-UHFFFAOYSA-N 439.518 4.030 5 20 IIBD CC[C@@H](C)c1nnc(N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1CC 549035770 JBUKUJFUEHMEOP-CYBMUJFWSA-N 426.443 4.065 5 20 IIBD COc1ccc([C@H](CN[C@H](c2cccc([N+](=O)[O-])c2)c2nccn2C)N2CCCCC2)cc1 552225193 DANWAHMEIWRJAT-BJKOFHAPSA-N 449.555 4.243 5 20 IIBD O=C(c1ccc(C(=O)N2C[C@H]3CCC[C@@H](C3)C2)c([N+](=O)[O-])c1)N1C[C@H]2CCC[C@@H](C2)C1 552963276 YUMZDKBXRRVSJF-VJANTYMQSA-N 425.529 4.119 5 20 IIBD C[C@@H]1CN(c2cccc(F)c2)CCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 553646374 PHSBJBWISIANDV-CQSZACIVSA-N 426.473 4.208 5 20 IIBD COc1ccccc1O[C@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 557145946 GUQGBJOXRPCJKX-INIZCTEOSA-N 435.274 4.050 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H](OC)c2ccc(Br)cc2)c1 558801639 DLJNROYKPOOTRQ-XIKOKIGWSA-N 437.290 4.262 5 20 IIBD O=C(CN1CCC[C@H]1c1ccc(Br)cn1)Nc1ccc([N+](=O)[O-])cc1Cl 559773770 IIOJDHDDKONGGV-INIZCTEOSA-N 439.697 4.181 5 20 IIBD CC1CCN([C@@H](CN[C@@H](c2cccc([N+](=O)[O-])c2)c2nccn2C)c2ccccc2)CC1 560514098 FKWAKIPLQXLDKJ-ZEQRLZLVSA-N 433.556 4.481 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)CC(=O)Nc1ccccc1Br 560669670 CGIIFUNNTOBIBP-UHFFFAOYSA-N 436.306 4.215 5 20 IIBD CC(C)[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCO1 576546394 NJFZGFACJPXSDI-FQEVSTJZSA-N 445.903 4.388 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2cccnc2S[C@@H](C)C(=O)N2CCCC2)n1 583466813 YDMGKVGTRLOAHN-AWEZNQCLSA-N 439.497 4.118 5 20 IIBD O=C(NCc1cccc(N2CCOCC2)c1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 590478087 IFDXMDGCVBCMMK-UHFFFAOYSA-N 441.553 4.396 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NCCn1ccnc1 603452215 GEYYHJWIVGWHSB-GHRIWEEISA-N 433.493 4.148 5 20 IIBD CCN1CCN(c2ccc(Cl)cc2NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 603730713 OEMWEMIIHQQPKZ-UHFFFAOYSA-N 428.876 4.389 5 20 IIBD O=C(Nc1cccc(CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])c1)c1ccccc1 603856543 BTEUOKUWAFMEGC-UHFFFAOYSA-N 430.464 4.351 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2nc3ccccc3[nH]2)[C@@H](C)CC)cc1OC 603964164 DQIGUCFFXTYRDC-RNODOKPDSA-N 426.473 4.396 5 20 IIBD Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C 603982127 BCYYCPMABXLUAO-HUUCEWRRSA-N 445.541 4.131 5 20 IIBD CCOc1cc(C(=O)Nc2ccccc2C(=O)N2CCC(C)CC2)c([N+](=O)[O-])cc1OC 604013183 NFQHNCPYCFZZBL-UHFFFAOYSA-N 441.484 4.127 5 20 IIBD C[C@@H](NC(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1)c1cccc([N+](=O)[O-])c1 604126177 HKMCFDXBPKHAHR-MRXNPFEDSA-N 425.485 4.238 5 20 IIBD COc1ccc(CCCN(C)C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 604198021 FOOJLYWKRTYTLA-UHFFFAOYSA-N 426.391 4.249 5 20 IIBD O=C(NCCCNc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccc(Br)cc1 608831312 IIZDBNKFPSZGLT-UHFFFAOYSA-N 429.274 4.138 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(F)cc2)cc1[N+](=O)[O-] 608928656 PKKZEDATYRGKKS-UHFFFAOYSA-N 448.476 4.027 5 20 IIBD O=C(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)Nc1ccc(OCc2ccccc2)cc1 609053745 KDTVRJBMXLRDLA-UHFFFAOYSA-N 429.436 4.071 5 20 IIBD COc1cc([C@H](C)N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCCC(C)C 609450941 CVOSVFRCMRYGLW-UWJYYQICSA-N 441.528 4.484 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(OCc3cccnc3)cc2)no1 609475537 GYNQKMDQZDYIPG-HNNXBMFYSA-N 445.435 4.110 5 20 IIBD Cc1cc(OCc2ccccc2)ccc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 609774149 WBBXWXNCNNDRQB-UHFFFAOYSA-N 447.495 4.231 5 20 IIBD CNS(=O)(=O)Cc1ccc(CN[C@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1 610803681 NYFQGXYLBYKJBH-OAHLLOKOSA-N 445.566 4.223 5 20 IIBD CCO[C@H](C)c1noc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)n1 611206493 GONYNQOMRFCCCN-CYBMUJFWSA-N 434.518 4.382 5 20 IIBD COc1cc(OC)c(C2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)c(OC)c1 615037373 LVPMYQZHABCCBQ-UHFFFAOYSA-N 429.473 4.341 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)c1 725715549 IVYVXPXYGPFADC-UHFFFAOYSA-N 448.435 4.302 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCCN1C(=O)OC(C)(C)C 729048494 HHHAQGOVPDEEIY-IBGZPJMESA-N 434.537 4.304 5 20 IIBD O=C(CCCOc1ccccc1Cl)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730706102 VOCBQIQRNFGOMC-MRXNPFEDSA-N 446.887 4.255 5 20 IIBD O=C(O[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1cc(Cl)ccc1[N+](=O)[O-] 733820439 ZAJICDAAYROFAS-OAHLLOKOSA-N 444.749 4.109 5 20 IIBD O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 734444151 WAONEBYMYLLAHA-UHFFFAOYSA-N 441.875 4.219 5 20 IIBD O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1cc(=O)c2cc(Br)ccc2[nH]1 734896481 QJCQCZWVSWVOFY-UHFFFAOYSA-N 437.633 4.209 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)cc([N+](=O)[O-])c1 736196213 UBXQPLHDOZRCAT-NRFANRHFSA-N 446.415 4.088 5 20 IIBD C[C@@H](Cc1ccc(Cl)cc1)N(C)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 736642608 VKKJIIAGYOOJNL-NSHDSACASA-N 447.738 4.262 5 20 IIBD Cc1ccc(NCCCNC(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)c([N+](=O)[O-])c1 740435165 SMKFQUDYAWITBK-UHFFFAOYSA-N 445.907 4.307 5 20 IIBD CCOC(=O)Nc1cccc(OS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 742268343 PZZUPYDSHGIFOM-UHFFFAOYSA-N 435.241 4.238 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2cccc(Cl)c2C(N)=O)cc1[N+](=O)[O-])c1ccccn1 742831998 LRCZSYBAVRXINP-GFCCVEGCSA-N 439.859 4.168 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(C[C@@H](O)c3cccc(Cl)c3)CC2)c(C(F)(F)F)c1 743269816 AXQRIEGVYMDQMH-GOSISDBHSA-N 429.826 4.123 5 20 IIBD Cc1c(C(=O)Oc2ccc(Cl)cc2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cnn1C 744283123 ILBHJSGCJLKWLE-UHFFFAOYSA-N 449.250 4.415 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)ccc1Cl 747621513 XDZMZCROAIIBQL-UHFFFAOYSA-N 438.824 4.116 5 20 IIBD CC(C)(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(=O)Nc1cc([N+](=O)[O-])ccc1F 749318368 OMECWENWQSENCH-UHFFFAOYSA-N 436.371 4.165 5 20 IIBD CC(C)Oc1ccc(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cn1 749421353 HVEQPQDVKKOZMT-UHFFFAOYSA-N 428.670 4.123 5 20 IIBD O=C(NCc1ccc(-n2cccn2)cc1)c1cc(Br)cc([N+](=O)[O-])c1Cl 749421940 KPLXSJAWQAVVSV-UHFFFAOYSA-N 435.665 4.126 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)c(OC[C@H]2CCCO2)c1 751109366 XIPMFQLEQJEYMJ-CQSZACIVSA-N 435.274 4.476 5 20 IIBD O=C1CN(CN(Cc2cc(F)ccc2F)C2CCCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 751605977 VTMWHYGRVMHOJD-UHFFFAOYSA-N 444.438 4.044 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H](C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 751666703 LFRKVDUTLZPVFT-MRXNPFEDSA-N 441.440 4.088 5 20 IIBD Cc1c(C(=O)N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 752439905 SRYDEBBEPCXURX-SNVBAGLBSA-N 431.792 4.006 5 20 IIBD C[C@H](OC(=O)c1c(F)ccc([N+](=O)[O-])c1F)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 752566697 DLMMTWHZDOBNNL-OLZOCXBDSA-N 432.423 4.175 5 20 IIBD O=C(N[C@H]1COc2ccccc2[C@H]1O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 752904661 GIXBZKDPSQWURZ-LAUBAEHRSA-N 440.839 4.265 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1[N+](=O)[O-] 753068634 MOPMWHMCTUUMHY-UHFFFAOYSA-N 444.296 4.138 5 20 IIBD CC(C)(C)O[C@@H](C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 754533733 JRTXERVRWBIMGV-WIYYLYMNSA-N 440.496 4.299 5 20 IIBD C[C@H](C(=O)OCC(=O)N[C@@H](c1ccccc1)c1cccs1)c1ccc([N+](=O)[O-])cc1F 755054822 NGFHQHQXSOURLB-QKKBWIMNSA-N 442.468 4.348 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCCC[C@@H]1C[C@H](O)c1ccccc1 755985364 YOMGZWVILVMJRV-KNQAVFIVSA-N 441.528 4.300 5 20 IIBD C[C@H](OC(=O)c1ccc(C(=O)Nc2ccccc2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 758676849 UZQFRNRZCCALGY-HNNXBMFYSA-N 433.420 4.031 5 20 IIBD O=C(COC(=O)c1cc(F)c(C(F)(F)F)c(F)c1)Nc1cc([N+](=O)[O-])ccc1Cl 758841757 CXJYAPSWJZZZLY-UHFFFAOYSA-N 438.692 4.341 5 20 IIBD CN(Cc1ccccc1NC(=O)NCCc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C 759941923 HPMFSAYSHFNVJP-UHFFFAOYSA-N 428.489 4.326 5 20 IIBD O=C(Nc1cccc(-c2noc(CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)c1)C1CCC1 761655789 GVYZNYVYPPJUFL-UHFFFAOYSA-N 437.412 4.077 5 20 IIBD O=C(Nc1cccc(-c2noc([C@@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)n2)c1)C1CCC1 761655899 JAPDAKGLAMJJBZ-IBGZPJMESA-N 433.424 4.249 5 20 IIBD COc1ccc(COCCCc2noc([C@@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)n2)cc1 762352842 ONQLBMMSYIGLKF-FQEVSTJZSA-N 438.440 4.002 5 20 IIBD CCC(CC)[C@@H](O)CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 762429622 IVPJZRBGWLMZCR-IBGZPJMESA-N 433.892 4.027 5 20 IIBD CC(C)(C)OC(=O)NCCc1ccc(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cc1 762970113 CYBPMUOSDYEMBZ-UHFFFAOYSA-N 438.484 4.073 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(C(F)(F)F)nc1Cl 766130930 OHAHHTYAHNOJLR-UHFFFAOYSA-N 428.710 4.069 5 20 IIBD CCn1c(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])nc2cc(Br)ccc21 769287445 MEUJVPBRTVMCCO-UHFFFAOYSA-N 425.189 4.257 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)OC(C)C 770083054 JVMBPIQXBQHIGJ-LJQANCHMSA-N 431.445 4.025 5 20 IIBD C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1ccc(Br)c([N+](=O)[O-])c1 770381058 PYHNDIPQXVAENI-JSGCOSHPSA-N 428.327 4.235 5 20 IIBD CCOc1ccc(CN(CCCn2ccnc2)c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)cc1 770472210 HTUXNZFPIAJDFO-UHFFFAOYSA-N 449.511 4.172 5 20 IIBD O=C(Cc1noc(COc2ccccc2[N+](=O)[O-])n1)Nc1ccc(SC(F)F)cc1 770961278 ZDOXEYJABAWRCM-UHFFFAOYSA-N 436.396 4.053 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc2c1N(C(=O)Cn1ccc3cc([N+](=O)[O-])ccc31)CC2 772781861 YXNPZPDXFWBRPG-UHFFFAOYSA-N 436.468 4.486 5 20 IIBD C[S@@](=O)c1ccc(C(=O)O[C@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])cc1 774368382 KAEKYBZEXNCFQU-AKJBCIBTSA-N 440.315 4.140 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2c(F)cc(Cl)cc2F)ccc1Br 774621727 BZSFBZLAENMBQW-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD CN(C(=O)[C@@H]1CC(c2cccc(F)c2)=NO1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 775495358 IIIHTMJTQXPLNI-SFHVURJKSA-N 426.429 4.013 5 20 IIBD O=C(CCCn1c(=O)oc2ccccc21)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776137304 ZKTZVYGEEVYCQH-JOCHJYFZSA-N 433.420 4.011 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)Nc1c(C)nn(C)c1C 777231655 NZMVUCHHPUUFLW-AWEZNQCLSA-N 434.518 4.021 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 777319615 ADWIEBLVCNSFHL-INIZCTEOSA-N 431.445 4.083 5 20 IIBD COCC[C@@H](Nc1cc([N+](=O)[O-])c(OC)c(Br)c1[N+](=O)[O-])c1ccc(C)o1 778011156 ZTVRUNKQOJDLGD-SNVBAGLBSA-N 444.238 4.365 5 20 IIBD COc1cc(OC)c(N[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Br 779056971 KPTOYGATFRQAAH-NSHDSACASA-N 438.278 4.204 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 780680840 JGEKVKLTTICMRC-SFHVURJKSA-N 434.537 4.304 5 20 IIBD CCO[C@@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1(C)C 780857445 YKKQSVWKRLMALA-OMXJDXKCSA-N 449.548 4.179 5 20 IIBD O=C(OCc1noc(-c2ccc(F)cc2F)n1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 781197346 IVNKNMAXXNSTPS-UHFFFAOYSA-N 429.257 4.299 5 20 IIBD COc1cc([C@@H](C)NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1OC(C)C 781599028 QMLBYKPQUFSWHB-CQSZACIVSA-N 431.445 4.109 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCc1ncc(-c2cccc(Cl)c2)o1 781652518 YYGJZJLMXOXVAX-UHFFFAOYSA-N 431.788 4.487 5 20 IIBD Cc1ccc(-c2ncccc2NC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)s1 782954154 NLNKLRROHKJMFL-ZDUSSCGKSA-N 440.456 4.157 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Oc2cccc(-c3nccs3)c2)c(C)c1[N+](=O)[O-] 790461212 QWBVHUXSOAIZQJ-UHFFFAOYSA-N 435.439 4.011 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccc(-n2nccn2)cc1C(F)(F)F 790807167 IBOAGSJNXATAQM-UHFFFAOYSA-N 443.744 4.168 5 20 IIBD O=[N+]([O-])c1ccc(Br)c2c1CN(Cc1ccc(Oc3ccccc3)nn1)CC2 792890735 AMWLWTVLZZUIRC-UHFFFAOYSA-N 441.285 4.498 5 20 IIBD CC(C)c1nsc(COC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)n1 793219227 VHGHVLBSVBACGW-UHFFFAOYSA-N 442.284 4.419 5 20 IIBD Cc1nc(-c2ccc(NC(=O)CN(C)c3cc(Br)ccc3[N+](=O)[O-])cc2)co1 795021592 UVOFAXKRKONOKY-UHFFFAOYSA-N 445.273 4.396 5 20 IIBD Cc1cc(N2CCSCC2)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F 795306376 ULZMCHVDLYKCKN-UHFFFAOYSA-N 445.925 4.050 5 20 IIBD O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)OCc1ccc([N+](=O)[O-])cc1Cl 797234078 NVPNCLWOCLGJBM-UHFFFAOYSA-N 432.281 4.199 5 20 IIBD Cc1cc(OCC(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)ccc1[N+](=O)[O-] 797436187 ZMNDFPDJKJGEGV-UHFFFAOYSA-N 440.843 4.221 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cc(S(=O)(=O)C2CCCC2)ccc1F 797464437 HHNOAYQHOBWNOD-UHFFFAOYSA-N 440.880 4.034 5 20 IIBD COC(=O)[C@H]1CC[C@H](C(=O)O[C@@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])CC1 797959819 YVCMDALPBVTMFN-DZKIICNBSA-N 442.306 4.068 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H]1C[C@@H]2CCC(C)(C)c3cccc1c32 800622891 QIMFRGBKOFNBIP-GUYCJALGSA-N 425.460 4.397 5 20 IIBD COc1ccc(CN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C)C2CC2)c(OC)c1 800858096 IPVHNGQUITZVTL-INIZCTEOSA-N 437.500 4.129 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 801914430 CNINLNUPWJGZJS-UHFFFAOYSA-N 440.378 4.388 5 20 IIBD CCCNc1ccc(CNC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cc1 807180007 ICUIHXHMPCPRAE-UHFFFAOYSA-N 447.333 4.447 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@@H](C)[C@H](O)c3ccccc3)cc2[N+](=O)[O-])n1 811538928 SYSGOYVKOUWQOR-UGSOOPFHSA-N 429.523 4.363 5 20 IIBD CCc1ccc(N(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C(C)C)cc1 813260185 PZIBCZYLISSJAE-UHFFFAOYSA-N 425.514 4.492 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc(CN3CCCCC3)cc2)cccc1[N+](=O)[O-] 857827592 CRBCGRMAUPXSID-QGZVFWFLSA-N 425.485 4.073 5 20 IIBD O=C(c1cccc(NCc2c(Br)cccc2[N+](=O)[O-])c1)N1CCSCC1 864028749 APKNHDVPWDIHCM-UHFFFAOYSA-N 436.331 4.158 5 20 IIBD COC(=O)c1cc(C(=O)Nc2cc(-c3ccccc3)sc2C(=O)OC)cc([N+](=O)[O-])c1 864309445 LQWPOINRXAVJSC-UHFFFAOYSA-N 440.433 4.149 5 20 IIBD Cc1ccccc1-n1ncc(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1C 914946083 WOUFNHLFZMYLKF-CQSZACIVSA-N 442.859 4.235 5 20 IIBD Cc1c(NC(=O)N2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)cccc1[N+](=O)[O-] 915308258 LFWYORCVCIQIMB-UHFFFAOYSA-N 438.406 4.152 5 20 IIBD CCCN(CCC)C(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1 916491794 HCCWYYRNVXWLKD-UHFFFAOYSA-N 428.445 4.326 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)c1cc2ccccc2c(O)n1)c1cccc([N+](=O)[O-])c1 918635939 VRHMPAFZNVONDK-SFHVURJKSA-N 449.463 4.090 5 20 IIBD CC1CCN(C(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)cc2)CC1 918682600 VRCDCAIUQMUFJK-UHFFFAOYSA-N 436.512 4.319 5 20 IIBD COc1ccc(CN(C)C(=O)[C@@H](OC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C(C)C)cc1 919212831 YXOFYBQOPRZTHA-NRFANRHFSA-N 440.452 4.190 5 20 IIBD CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NC[C@H]1CCCC[C@@H]1C(C)(C)C 920040986 XGQCGDVQLLUJKU-PMPSAXMXSA-N 439.578 4.008 5 20 IIBD O=C(Cn1c(Cc2ccccc2)nc2ccccc21)N1CCc2ccc([N+](=O)[O-])cc2C1 1319116244 AJXBUUNOCJIZMR-UHFFFAOYSA-N 426.476 4.120 5 20 IIBD CC(C)N1CCN(C2CCN(Cc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)CC2)CC1 1319964567 VEJLPIKQDYKDOF-UHFFFAOYSA-N 446.979 4.499 5 20 IIBD CC(C)c1ccc(C(=O)N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] 1321654720 CLBGAQARHCAFGF-UHFFFAOYSA-N 430.892 4.362 5 20 IIBD O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCC(O)(Cc2ccccc2F)CC1 1327668697 MMEHBSCHHWALFB-UHFFFAOYSA-N 427.259 4.251 5 20 IIBD COc1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)c2ccc(OC)cc2OC)cc1 1330740367 MCHOVTFTDTULOT-JOCHJYFZSA-N 440.427 4.279 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc2c(OC(F)(F)F)cccc2[nH]1 1337725578 XICNFZIWFJHIFR-UHFFFAOYSA-N 448.313 4.382 5 20 IIBD C[C@]1(C(=O)NC2(c3ccc(NC(=O)Cc4cccc([N+](=O)[O-])c4)cc3)CCC2)CC1(F)F 1785795034 OEFVAPKOYVLBON-OAQYLSRUSA-N 443.450 4.317 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@@]3(F)CCCC=C3F)cc2)CCC1)c1ccc([N+](=O)[O-])[nH]1 1792379435 JJVNRZNQYQLSQR-JOCHJYFZSA-N 444.438 4.416 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)C23CCC(CC2)CC3)[nH]n1)c1ccc([N+](=O)[O-])o1 1814313636 SZEFARJORGNOTQ-DRCDNIGYSA-N 441.488 4.187 5 20 IIBD Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)c1 1823679419 HIAXCJXAVFQQOT-DEOSSOPVSA-N 449.551 4.379 5 20 IIBD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC([C@@H]2CCCCN2C(=O)C23CCC(CC2)CC3)CC1 1832390589 YRSDHRTUJLPTRL-QOALBKQRSA-N 442.560 4.127 5 20 IIBD CCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 1832696621 COSLXEDCINAWEY-LJQANCHMSA-N 445.560 4.273 5 20 IIBD Cc1ccc(C(=O)N2CCCC23CN(C(=O)c2cc4cc([N+](=O)[O-])ccc4s2)C3)cc1 1844953550 DXJPEQUZQBLTQY-UHFFFAOYSA-N 435.505 4.249 5 20 IIBD COc1ccc(NC(=O)CNc2cc(Cl)cc(Br)c2OC)c([N+](=O)[O-])c1 10944706 VLHJTPMFVLNJCM-UHFFFAOYSA-N 444.669 4.079 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(OCc2nc(-c3ccccc3)oc2C)c([N+](=O)[O-])c1 11656081 WNJDIMVQTKSDRX-UHFFFAOYSA-N 445.497 4.168 5 20 IIBD COc1cc(COC(=O)COc2ccc3ccccc3c2)c([N+](=O)[O-])cc1OC(F)F 12719372 BLYXXPVUXJZTQG-UHFFFAOYSA-N 433.363 4.480 5 20 IIBD CNc1ccc(C(=O)OCC(=O)N[C@@H](c2ccc(C)cc2)c2cccs2)cc1[N+](=O)[O-] 17725053 HGNWYNSPJLMTBV-NRFANRHFSA-N 439.493 4.069 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])cc1OC 21844852 GJCWXOSOLUMVQM-SECBINFHSA-N 443.239 4.103 5 20 IIBD O=C(NC1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1)c1ccccc1 22195755 LSHQFWIEKJQEKW-UHFFFAOYSA-N 429.476 4.225 5 20 IIBD C[C@H](OC(=O)[C@@H](C)Oc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 25777793 LJCWACTXHBOWNY-WDEREUQCSA-N 444.337 4.090 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(C(=O)c2ccc(Cl)cc2)CC1 60482676 UQSLMNPWVDWNRN-UHFFFAOYSA-N 445.903 4.180 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NC[C@@H](O)c2c(Cl)cccc2Cl)c([N+](=O)[O-])c1 301374550 VIRBMKZFTZDOBW-MRXNPFEDSA-N 435.267 4.012 5 20 IIBD C[C@H](c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 301466796 QFNZROUFTIRRKP-QGZVFWFLSA-N 442.947 4.367 5 20 IIBD O=c1c(Cl)c(N2CC[C@H](Oc3cccc(Cl)c3)C2)cnn1-c1ccc([N+](=O)[O-])cc1 301835129 KYHQLEHOBJIKOH-KRWDZBQOSA-N 447.278 4.105 5 20 IIBD Cc1nc(N[C@H]2CCc3c(O)cccc32)nc(N[C@@H]2CCc3c(O)cccc32)c1[N+](=O)[O-] 301987995 LHTGDEIQJZXKRO-MSOLQXFVSA-N 433.468 4.303 5 20 IIBD O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 302926923 CBCLJUDHSHSYGX-GOSISDBHSA-N 443.459 4.356 5 20 IIBD Cn1ccnc1Sc1ccccc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 432677821 LBPLOOOUFLTJOH-UHFFFAOYSA-N 433.287 4.494 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 435663818 OZDDRHADSYHHQV-SNVBAGLBSA-N 430.408 4.490 5 20 IIBD O=C(N[C@@H](c1cccc(F)c1)C1CCCC1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 435804685 TZILNFYXQXYBCW-JOCHJYFZSA-N 439.443 4.049 5 20 IIBD CCn1ccnc1[C@@H]1CCCCN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 435990876 DOWXIULRSKYUGR-INIZCTEOSA-N 439.438 4.386 5 20 IIBD CCn1c(S[C@@H](Cc2ccc(F)cc2F)C(C)=O)nnc1-c1ccc([N+](=O)[O-])cc1 436204028 LLTNWNVFLOUNKK-SFHVURJKSA-N 432.452 4.444 5 20 IIBD O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437071426 HESKVFLAHWGHRP-UHFFFAOYSA-N 441.793 4.397 5 20 IIBD O=C(Nc1ccccc1CN1CCSCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437197010 JUHFOYNAYSYWCU-UHFFFAOYSA-N 425.432 4.415 5 20 IIBD COc1ccc(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1Br 438011248 KMDQNUXPUUWAOA-UHFFFAOYSA-N 434.290 4.240 5 20 IIBD NC(=O)c1ccc(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c([N+](=O)[O-])c1 439278078 TWMOAXVQGVHACR-UHFFFAOYSA-N 434.688 4.385 5 20 IIBD CC(=O)c1ccc2c(c1)CCN(C(=O)c1cccc3c(=O)c4cccc(F)c4[nH]c13)CC2 444234070 COGWCSROEXDKCZ-UHFFFAOYSA-N 428.463 4.264 5 20 IIBD CC(C)c1noc2nc(-c3ccco3)cc(C(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)c12 444628849 FDHQIYURIWRSIO-UHFFFAOYSA-N 446.423 4.321 5 20 IIBD O=C1CCCc2nc(NC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)sc21 444703331 JZDNFSXQDIBWQN-UHFFFAOYSA-N 425.416 4.187 5 20 IIBD C[C@@H]1C[C@@H](c2cccc(F)c2)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 447015103 FIYMNPITYBIXEI-BZNIZROVSA-N 443.294 4.268 5 20 IIBD CC(C)c1nc(SCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c2ccccc2n1 447327903 XKCAMWUDFPJLQY-UHFFFAOYSA-N 426.454 4.121 5 20 IIBD C[C@@H]1CN(c2cccc3cnccc23)CCN1c1ncc([N+](=O)[O-])cc1Br 447679648 LKXVAHBWGHYZHR-CYBMUJFWSA-N 428.290 4.016 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCC1(c2ccccc2Cl)CCOCC1 447812132 JVDUTKZVIXJAKR-UHFFFAOYSA-N 445.947 4.241 5 20 IIBD CC(C)c1ccc(C[C@H]2CCN(C(=O)CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])C2)cc1 461391000 SHAKJWUNEWKATM-QGZVFWFLSA-N 443.931 4.193 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(C)cc1OC[C@H]1CCCO1 462631962 OZUFBBSGEXDJMX-SIKLNZKXSA-N 426.513 4.346 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 462774604 JYDPBALFBYGRPW-NRFANRHFSA-N 425.529 4.007 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)[C@H]1SCCc2ccccc21)c1ccccc1[N+](=O)[O-] 463445271 UKIOUSDDOPDURF-NQIIRXRSSA-N 428.510 4.124 5 20 IIBD Cc1cc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])n(-c2ccccc2C(F)(F)F)n1 463546997 XPGRTBWREGIGRD-UHFFFAOYSA-N 433.390 4.183 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 464038297 DQMPLURMOGXVBD-AWEZNQCLSA-N 427.354 4.099 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 464177417 ATBGARBUXKOSMT-GFCCVEGCSA-N 426.498 4.259 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)cc1 466514339 LAXIWPYFERNKEF-QGZVFWFLSA-N 443.294 4.163 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)cc1 466545243 QHTWWQKOQHJMTG-MRXNPFEDSA-N 429.267 4.022 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)cc1 469190973 HYUVLGFULDKNRE-GOSISDBHSA-N 432.889 4.164 5 20 IIBD COc1cc(C(=O)N2CCC(c3ncccc3Cl)CC2)c([N+](=O)[O-])cc1OC(F)F 469936840 BFMCTWAVLSVGCG-UHFFFAOYSA-N 441.818 4.273 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C)c(C(=O)N3CCCCC3)c2)cc1OC 470511070 MFILGMAXOYNUPL-UHFFFAOYSA-N 441.484 4.189 5 20 IIBD Cn1nc(C(F)F)c2cc(C(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)sc21 470975849 OXSNBTIFDZRITN-UHFFFAOYSA-N 436.440 4.164 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)ccc1-c1nc(C2CC2)no1 476441426 YYOZFLBJFKGCBV-UHFFFAOYSA-N 434.861 4.285 5 20 IIBD O=C(Nc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)nc1)c1ccccc1 477920196 LZLAUKFGHWXXTL-UHFFFAOYSA-N 441.241 4.257 5 20 IIBD COc1cc(C(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc([N+](=O)[O-])c1C 478679070 QIKHYSYXTKGULI-GASCZTMLSA-N 425.485 4.282 5 20 IIBD COc1cc(C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc([N+](=O)[O-])c1C 479074895 CPIKFJDMDGDNFD-HNNXBMFYSA-N 434.452 4.050 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cccc(NC(=O)c2cccs2)c1 481944117 GREVRIBFUWCECM-UHFFFAOYSA-N 431.495 4.326 5 20 IIBD Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)c2sc(Br)cc2[N+](=O)[O-])o1 485513524 ICYBGPBKWNJSIZ-CYBMUJFWSA-N 449.286 4.050 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCN1Cc1ccccc1 487831721 CURKVNOIUWGRIL-UZLBHIALSA-N 430.936 4.143 5 20 IIBD Cc1ccc(-n2cnc3c2CCN(C(=O)c2csc(-c4ccc([N+](=O)[O-])cc4)n2)C3)cc1 489396830 GMPVJLPQGZLHQC-UHFFFAOYSA-N 445.504 4.411 5 20 IIBD CCOc1cc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)ccc1OC(F)F 489710234 JKYWVUGINPILDI-UHFFFAOYSA-N 435.427 4.469 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)O[C@H](C)C1 490431116 XXZHNVIGICEHCD-CXAGYDPISA-N 444.431 4.073 5 20 IIBD CCOC(=O)[C@@H]1CCCc2sc(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)nc21 493345123 VXXQWOMJXGEUDX-SNVBAGLBSA-N 443.403 4.305 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C/C(C)=C\c1ccccc1 494854100 RDKXNTZGWYDUIJ-RUDRXDDOSA-N 441.553 4.008 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CC=C(c2ccc3c(c2)OCCO3)CC1 497387744 NLWOUWQAOALJIM-UHFFFAOYSA-N 434.370 4.314 5 20 IIBD COc1cc(CN(C)C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc(OC)c1 499145691 HKIKGUMUNOVERC-UHFFFAOYSA-N 435.480 4.496 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1CCC(NC(=O)C2CCCC2)CC1 499488403 AJHHVGKGVRELCW-UHFFFAOYSA-N 427.423 4.417 5 20 IIBD NC(=O)c1ccc(SCC(=O)N2CCCC[C@@H]2CCCc2ccccc2)c([N+](=O)[O-])c1 502413324 GQRUEHQZUYVMMF-LJQANCHMSA-N 441.553 4.190 5 20 IIBD Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2I)c2cccnc12 508785968 UEMCSAFHKQJUEE-UHFFFAOYSA-N 433.205 4.308 5 20 IIBD CC(C)N(Cc1ccc(F)cc1)C(=O)c1ccc([N+](=O)[O-])cc1I 509006311 YCPWCTZJHPPNIK-UHFFFAOYSA-N 442.228 4.389 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 509300748 JNLHMKYMQALTDA-MRXNPFEDSA-N 432.889 4.251 5 20 IIBD O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 509403636 PHGJPAVILAKXKT-GFCCVEGCSA-N 440.834 4.095 5 20 IIBD CN(Cc1csc(Br)c1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 512170630 SSXBMXGIMXVFDK-UHFFFAOYSA-N 438.347 4.294 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CNc3cc(F)c(N4CCOCC4)cc3F)cs2)c1 513065377 VHXVICUAUWSKFS-UHFFFAOYSA-N 432.452 4.445 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN[C@@]3(Cc4ccc(C(F)(F)F)cc4)CCOC3)o2)cc1 513178163 LSNPLDXHNWJMSG-HXUWFJFHSA-N 448.401 4.155 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(Oc3ccccc3Cl)CC2)cc1OC 513894024 FISWDQZOIZXTET-UHFFFAOYSA-N 434.876 4.339 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nc3ccccc3s2)cn1 514317547 HXMIAGJEEOVHKA-UHFFFAOYSA-N 447.476 4.025 5 20 IIBD C[C@@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 516025085 CBOSALRWXJRMOE-JTQLQIEISA-N 427.791 4.008 5 20 IIBD COc1cc(C(=O)N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)c([N+](=O)[O-])cc1OC 516321714 OVNRMKAWIDNDPK-NSHDSACASA-N 428.363 4.044 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 517373990 YYHZDEPHKGJFJK-QGZVFWFLSA-N 428.247 4.324 5 20 IIBD CSc1cccc(C(=O)N2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)c1[N+](=O)[O-] 517790758 ZTCMUSUXDQYQIG-HNNXBMFYSA-N 442.415 4.429 5 20 IIBD CC(C)COc1ccc(C(C)(C)CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 518060823 INRNYBJUNDNJQX-UHFFFAOYSA-N 447.919 4.316 5 20 IIBD CCN1C(=O)c2ccccc2N[C@H]1c1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] 520060520 VYWFUWUGHWJDJN-QGZVFWFLSA-N 425.363 4.131 5 20 IIBD NC(=O)c1cccc(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)c1 522732545 OMVYDAABQHJKFO-UHFFFAOYSA-N 443.818 4.209 5 20 IIBD CNC(=O)c1ccc(C)c(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c1 522876831 APMWHZWJOMHSLS-UHFFFAOYSA-N 448.266 4.008 5 20 IIBD O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 522884006 ILKQXRAFVRTCGI-UHFFFAOYSA-N 427.810 4.225 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)c1cc(Cl)cc([N+](=O)[O-])c1 522894654 RCZNTKDKNSNNGO-UHFFFAOYSA-N 434.832 4.472 5 20 IIBD COC(=O)c1ccc(Br)c(C)c1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 525286542 NGWCGYSIYOSQDD-UHFFFAOYSA-N 446.257 4.046 5 20 IIBD CCOc1cc(CNC2(C)CCC2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 533637360 JVDMZHBYIHAMNR-UHFFFAOYSA-N 428.485 4.471 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 536191320 IOHVYGCPTNMSMW-UHFFFAOYSA-N 446.213 4.161 5 20 IIBD CCN(Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@@H](C)CS(C)(=O)=O 536683018 KPWNUPYHBOSPKB-AWEZNQCLSA-N 426.922 4.296 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(SC)ccc1C 539451420 RXIUPZDIBYPQOQ-QGZVFWFLSA-N 433.555 4.115 5 20 IIBD O=[N+]([O-])c1ccc2nc(NS(=O)(=O)c3ccc(Br)c(Cl)c3)ccc2c1 539554734 IPEGJQRQNKIRFQ-UHFFFAOYSA-N 442.678 4.360 5 20 IIBD CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)CC2 542601197 NNRBGYKZUXXXCO-NHCUHLMSSA-N 448.585 4.269 5 20 IIBD COc1ccc(NC(=O)c2cn(-c3ccc(Br)cc3)nc2C)cc1[N+](=O)[O-] 543927962 HVEZYENQUANSQF-UHFFFAOYSA-N 431.246 4.112 5 20 IIBD C[C@H](c1nc(-c2cccc(C(=O)NCc3ccco3)c2)no1)c1ccc([N+](=O)[O-])cc1F 546980231 AWZNGRSMLUNKGM-ZDUSSCGKSA-N 436.399 4.459 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@@H](c2ncc[nH]2)C(C)C)c([N+](=O)[O-])c1 550346384 YTBLGNYMHLWAAL-HXUWFJFHSA-N 443.529 4.342 5 20 IIBD O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 552200417 CUPLUPGIVOPCCX-NRFANRHFSA-N 432.480 4.157 5 20 IIBD Cc1cccnc1CNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 552474352 UCGJMMLVKYYFSC-UHFFFAOYSA-N 427.464 4.010 5 20 IIBD CN1CCC(Oc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)CC1 552783267 LFEQVNJSSBNRCX-UHFFFAOYSA-N 437.418 4.017 5 20 IIBD Cc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)nc(N2CCCC2)n1 553663343 MFWPUCNSJLVHNV-UHFFFAOYSA-N 449.536 4.375 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c1 554960732 CLZPFCPOYHBWBT-UHFFFAOYSA-N 437.427 4.315 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 556451158 NNPFXMIMBQAHIP-RDTXWAMCSA-N 437.265 4.455 5 20 IIBD CC(C)C[C@@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccccc1 556506060 IQQQNDANEMQCIL-QGZVFWFLSA-N 434.290 4.199 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)NCC2(Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] 556524416 WWHQPYVMBXETSX-UHFFFAOYSA-N 427.476 4.109 5 20 IIBD NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 557697022 KPLLFORZEXZQBF-CABCVRRESA-N 429.420 4.009 5 20 IIBD CC(C)(NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1)c1ccccc1[N+](=O)[O-] 557969212 JPYPYZCIIJOXTO-UHFFFAOYSA-N 430.507 4.154 5 20 IIBD COc1c(F)cc(NC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cc1F 559966182 OOLSPWYVFPNXFU-MRXNPFEDSA-N 437.399 4.086 5 20 IIBD COc1cc(F)c([C@H](C)NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1OC 565143656 OGXURTVGBZXWLJ-JTQLQIEISA-N 441.253 4.313 5 20 IIBD CS(=O)(=O)c1ccc(-c2nc(C3(c4ccccc4F)CCCC3)no2)cc1[N+](=O)[O-] 565859317 BDPKMQSVSASBMD-UHFFFAOYSA-N 431.445 4.048 5 20 IIBD C[C@H](C(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1)c1cccc([N+](=O)[O-])c1 566715752 LMESXSSPEFDECA-KRWDZBQOSA-N 427.464 4.262 5 20 IIBD C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 568795458 PQCVUWVRCNHNFL-RTBURBONSA-N 447.539 4.413 5 20 IIBD COc1cc(CN2CCC[C@H]3CN(C)CC[C@H]32)ccc1OCc1ccc([N+](=O)[O-])cc1 570485854 LGDHDAUZUWCCQO-RBBKRZOGSA-N 425.529 4.099 5 20 IIBD COc1cc(CN[C@@H](C)c2nccn2-c2ccccc2)c([N+](=O)[O-])cc1OCC(F)F 573607280 MGAWSPHNJQIGGW-AWEZNQCLSA-N 432.427 4.284 5 20 IIBD Cc1cc(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)ccc1OCC(F)(F)F 574678371 SUSAHOCFPUCLOL-UHFFFAOYSA-N 438.406 4.198 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1Sc1nnc(-c2ccc(F)cc2)n1Cc1ccco1 577612879 WFSOLVHUOCFHCG-UHFFFAOYSA-N 428.449 4.310 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N2CCC(c3noc4cc(F)ccc34)CC2)c([N+](=O)[O-])c1 580608546 SPOGYTKTSMZMKH-UHFFFAOYSA-N 449.442 4.224 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(-c3ccc4ccccc4c3)o2)c2ncccc12 584878886 ZRQGJGOJCGPZIR-UHFFFAOYSA-N 447.432 4.147 5 20 IIBD O=[N+]([O-])c1ccc(C(F)(F)F)c(CN(c2nccs2)S(=O)(=O)c2ccccc2)c1 590126773 BNGDMSAXQPGDNV-UHFFFAOYSA-N 443.428 4.466 5 20 IIBD O=c1c2snc(-c3ccccc3)c2ncn1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F 590128377 RHRMOHSXKPJXTF-UHFFFAOYSA-N 432.383 4.495 5 20 IIBD Cc1cc(Sc2nnc(C3CCNCC3)n2C2CC2)c([N+](=O)[O-])cc1C(F)(F)F 590135780 QWMZQIOYPUBUCD-UHFFFAOYSA-N 427.452 4.467 5 20 IIBD O=C(CSc1nnc(-c2cccnc2)n1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 592629169 BWLXXHVOOVCNIU-UHFFFAOYSA-N 431.477 4.272 5 20 IIBD O=C1[C@H](c2cccs2)N(Cc2ccccc2)C(=O)N1CCOc1ccccc1[N+](=O)[O-] 603678073 RKYRJNGMDSJMPA-FQEVSTJZSA-N 437.477 4.241 5 20 IIBD Cc1cccc(Cn2nccc2NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 603738407 ROPLRKCWJXAASF-UHFFFAOYSA-N 434.374 4.341 5 20 IIBD Cc1nc(C)c(-c2csc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)n2)s1 603769921 DMNYETLXRDYONA-UHFFFAOYSA-N 426.483 4.230 5 20 IIBD O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1ccc([N+](=O)[O-])[nH]1 604077731 YTKGGZWRQXFKFG-UHFFFAOYSA-N 427.257 4.057 5 20 IIBD CCCOc1cc(NC(=O)N2CC[C@H](N3CCCCC3)C2)c([N+](=O)[O-])cc1OCCC 609355954 OPACINXMLXYKBM-KRWDZBQOSA-N 434.537 4.265 5 20 IIBD Cc1cc(OCc2ccccc2)ccc1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 609755568 NDRVRYCGQQFPCI-UHFFFAOYSA-N 433.464 4.241 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 609793726 LVFVUDMPWAMGLF-MRXNPFEDSA-N 440.302 4.364 5 20 IIBD Cc1ccc(-c2csc(NC(=O)c3ccccc3CN3CCOCC3)n2)cc1[N+](=O)[O-] 610111529 WSTJSTLEFFEEAX-UHFFFAOYSA-N 438.509 4.111 5 20 IIBD COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)c2ccccc2F)cc1[N+](=O)[O-] 610136013 GIXGEGGJIMSHKX-IBGZPJMESA-N 430.457 4.005 5 20 IIBD COc1ccc([C@H](NC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c2ccccc2)cc1 613304130 GBPBNYOCEFQDCG-JOCHJYFZSA-N 433.464 4.065 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1Cc2cccc(Br)c2C1 613689851 PBPYCDUIIWKUTI-SNVBAGLBSA-N 425.666 4.320 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc2c(Cl)c(Cl)ccc2s1 619506791 JOTJTHXIHBXVBD-UHFFFAOYSA-N 434.282 4.321 5 20 IIBD O=C1CN(CN2CC=C(c3cccc4ccccc34)CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 726590433 YXMCXAXTUYPURA-UHFFFAOYSA-N 442.475 4.263 5 20 IIBD CCn1c(COC(=O)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc2c(F)cccc21 728613947 CBVQNGKKPJXOIE-UHFFFAOYSA-N 440.353 4.278 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)[C@@H]1CCCN1c1ncnc2sccc12 729118672 BSFQGANQLKJKDG-KRWDZBQOSA-N 442.497 4.099 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)CC1 730196634 ULBNNTSRPMTKCB-KRWDZBQOSA-N 444.482 4.118 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 730873507 MFUYLILQKMRNIU-PNHOKKKMSA-N 434.448 4.431 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCC(=Cc2cccc(F)c2)CC1 731975853 IJKIHTDWJSKQCI-UHFFFAOYSA-N 426.416 4.414 5 20 IIBD CCn1cc(C(=O)O[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)cn1 734047224 DNTZXQXSYBHZQE-GOSISDBHSA-N 428.832 4.001 5 20 IIBD C[S@](=O)CCNC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2 735052321 WUIUERAMMIKGKT-QLQKFCLOSA-N 449.532 4.128 5 20 IIBD Cc1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)c2[nH]ncc12 736992676 DLNBJADTMJFTJF-UHFFFAOYSA-N 448.405 4.152 5 20 IIBD CCCn1cc(Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])cn1 742419495 CXQFYUGBBZLUHV-UHFFFAOYSA-N 429.502 4.363 5 20 IIBD Cc1ccc(Br)cc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 745254131 UVNZRKVXJNEEQU-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD C[C@H](C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1cccc(F)c1 745364536 HLUCROUJTOEPQU-WDEREUQCSA-N 428.338 4.427 5 20 IIBD CC(C)[C@@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N1CCC[C@@H](C)C1 747961723 JJZYIYBCOFWNOB-RDTXWAMCSA-N 431.514 4.158 5 20 IIBD CC(C)[C@@H](CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)NC(=O)OC(C)(C)C 749503154 WIFBBCYVCOFJTR-LJQANCHMSA-N 448.564 4.206 5 20 IIBD O=C(COC(=O)c1cccc(Cl)c1[N+](=O)[O-])NCc1ccccc1OC1CCCC1 750535210 GSJUCBNLUJCUOX-UHFFFAOYSA-N 432.860 4.043 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 751409650 CNARWKNOHFCWDR-APXBPELASA-N 429.517 4.389 5 20 IIBD Cc1ccc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1N1CCOC1=O 753111275 DHGATWJEAFYDOG-UHFFFAOYSA-N 434.246 4.183 5 20 IIBD CC(C)n1ncc(C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1-c1ccccc1 753617992 YDIAZDVBIUFKBL-UHFFFAOYSA-N 433.424 4.446 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1OCC[C@@H]1CCOC1=O 753798343 JHFGDICKJSDCNZ-LLVKDONJSA-N 439.251 4.486 5 20 IIBD CCOc1ccc(CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nc1 755938807 BBMAVBWNXIHBTM-UHFFFAOYSA-N 447.900 4.437 5 20 IIBD C[C@@H]1CN(Cc2ccccc2NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C[C@@H](C)O1 757199672 JIQHNNBWQHNOBJ-HUUCEWRRSA-N 432.908 4.179 5 20 IIBD O=C(NC[C@@H](O)c1cc2ccccc2s1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 758325524 ZCHOFTWXOBFKIS-MRXNPFEDSA-N 425.491 4.396 5 20 IIBD C[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc2N1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] 759046961 GPQCSQGBPQKXRO-OAHLLOKOSA-N 447.513 4.075 5 20 IIBD CC(=O)N[C@H](CC(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(Cl)cc1 760464579 KXMMYOLYCPMXMZ-LJQANCHMSA-N 443.843 4.214 5 20 IIBD C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F 762980062 NWBNKFGCGBTADD-LBPRGKRZSA-N 438.402 4.053 5 20 IIBD COc1cc(COC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)c([N+](=O)[O-])cc1F 766159582 IJBMEMRDXDLGJZ-UHFFFAOYSA-N 434.420 4.375 5 20 IIBD CCc1nnc(COC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)n1C 767742592 RDSYFCARXAFKKM-UHFFFAOYSA-N 432.889 4.447 5 20 IIBD CC(=O)[C@H](Cc1ccc(F)cc1F)OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 768648539 JKKIHMVWVKTKTF-SFHVURJKSA-N 432.404 4.354 5 20 IIBD CCCN(C(=O)c1ccccc1NC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)C(C)C 770603348 VSZYBQYPVRTLIL-UHFFFAOYSA-N 438.488 4.053 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@H](C)[C@@H](O)c2ccc(F)cc2)cc1[N+](=O)[O-])c1ccccn1 771663510 GLRNSQSSVCULLU-SMASLZHESA-N 438.459 4.154 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccnc(-c4ccccc4)n3)cc2)c(C)c1[N+](=O)[O-] 772276535 DRMHYMZFENOVIH-UHFFFAOYSA-N 428.452 4.166 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCC([C@@H](O)c3nccn3C)CC2)cc1[N+](=O)[O-] 772582145 OHHMITDTRSIYLN-HXUWFJFHSA-N 446.573 4.052 5 20 IIBD O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1Br 775202454 SDXWVBNNIWAJCE-UHFFFAOYSA-N 425.182 4.177 5 20 IIBD Cc1ncsc1/C=C\C(=O)O[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 777100615 BMXQIUIXONYPJT-ZHRWSRJISA-N 444.494 4.067 5 20 IIBD COc1ccc2[nH]cc(C3=CCN(C(=O)c4cc([N+](=O)[O-])c5nsnc5c4)CC3)c2c1 778235184 OAJPEUXJNCGDEI-UHFFFAOYSA-N 435.465 4.019 5 20 IIBD O=C(NCc1ccco1)c1cccc(COC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 778888939 ZZFXBAHPOWUAKZ-UHFFFAOYSA-N 446.362 4.076 5 20 IIBD CC(C)(C)OC(=O)N1CCOC[C@H]1c1noc(-c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 779581362 KQXXTLVOBPHCAT-INIZCTEOSA-N 432.477 4.251 5 20 IIBD C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1cc([N+](=O)[O-])ccc1I 780280645 YADQEDXZXJBHTB-RKDXNWHRSA-N 442.175 4.002 5 20 IIBD CC(C)[C@H](OC(=O)c1cccc([N+](=O)[O-])c1Br)C(=O)Nc1ccccc1F 781677866 LOYOMDCLBUOCPY-INIZCTEOSA-N 439.237 4.317 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[C@H](O)c1ccc(F)cc1 786389486 CSGQLUUHNNCXQV-QGHHPUGFSA-N 425.254 4.047 5 20 IIBD O=[N+]([O-])c1ccc2c(I)nn(Cc3coc(-c4ccccc4)n3)c2c1 786876672 YHKSEVDVBGMKKY-UHFFFAOYSA-N 446.204 4.252 5 20 IIBD CCOc1cc(NC(=O)N[C@@H](C(C)C)[C@@H](O)c2ccccc2)c([N+](=O)[O-])cc1OCC 788558180 SKMZJRBCOATHDE-SFTDATJTSA-N 431.489 4.272 5 20 IIBD C[C@@H](NC(=O)COC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 790741908 GZDQFDPVHXCHGW-SNVBAGLBSA-N 429.231 4.004 5 20 IIBD O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 791668547 AOOQNKQXSWDPHO-UHFFFAOYSA-N 431.788 4.487 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)Cc2ccc(Cl)cn2)c2ccccc2)c([N+](=O)[O-])c1 792715902 CYKSVABZKYSDEK-OAQYLSRUSA-N 439.855 4.417 5 20 IIBD O=C(Nc1ccc(F)cc1)c1nnc(COc2cc(F)c([N+](=O)[O-])cc2Cl)s1 795262119 SBVNMMJWOHVTNZ-UHFFFAOYSA-N 426.788 4.209 5 20 IIBD Cn1nccc1-c1ccc(F)cc1OS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 795367358 CDSNIVNOOFBVQG-UHFFFAOYSA-N 446.243 4.209 5 20 IIBD O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 801248150 QEWYWMOCDDAJET-UHFFFAOYSA-N 449.385 4.099 5 20 IIBD O=C(COC(=O)c1ccc(C(F)(F)F)s1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 803863349 LTWOZHYXANHXNU-UHFFFAOYSA-N 442.293 4.489 5 20 IIBD COC(=O)c1cc(Br)c(OC)cc1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 809250675 DNZWGEDDSUTWGL-UHFFFAOYSA-N 443.637 4.058 5 20 IIBD Cc1nn(C)c(C)c1CC(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1OCc1ccccc1 809783715 CIFVWTUXWMOFBJ-UHFFFAOYSA-N 428.876 4.359 5 20 IIBD CCS(=O)(=O)c1ccc([C@H](C)NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 813249523 NVAFHYDNSOZJOA-JTQLQIEISA-N 431.297 4.186 5 20 IIBD Cc1cc(F)cc(C(=O)N2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)c1[N+](=O)[O-] 813846825 PTMWXBGOLIRWJG-INIZCTEOSA-N 428.338 4.155 5 20 IIBD CC(C)(C(=O)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1ccccc1[N+](=O)[O-] 815767311 JVQGFUCVCAGCNX-SFHVURJKSA-N 430.810 4.092 5 20 IIBD CNc1c(C(=O)N2CCC[C@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cccc1[N+](=O)[O-] 817653567 YWFKTOZDVXPGHO-DLBZAZTESA-N 446.548 4.136 5 20 IIBD CNc1c(C(=O)N2CCC[C@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cccc1[N+](=O)[O-] 817653569 YWFKTOZDVXPGHO-IRXDYDNUSA-N 446.548 4.136 5 20 IIBD CC(C)S(=O)(=O)CC(=O)Nc1cc([N+](=O)[O-])ccc1Nc1cccc(C(F)(F)F)c1 917609821 AKXQRLUSUZCPKM-UHFFFAOYSA-N 445.419 4.119 5 20 IIBD CCC/C(C)=C/C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 920214677 MPERNOJSENDNTC-WBJPGKSWSA-N 437.905 4.147 5 20 IIBD Nc1c(C(=O)NC[C@H](c2ccccc2)C(F)(F)F)cc(Br)cc1[N+](=O)[O-] 1116938357 QKSPQYKSTKVEQC-GFCCVEGCSA-N 432.196 4.015 5 20 IIBD Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cs1 1248654647 HWVGLLGTNVXTLY-UHFFFAOYSA-N 431.477 4.415 5 20 IIBD COc1cc(Br)c(OC)c(C(=O)OCc2cc(Cl)ccc2[N+](=O)[O-])c1 1318905337 PVHZHMXUFWJDOX-UHFFFAOYSA-N 430.638 4.385 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NCCN1CC=CC1 1319027961 KLASSMYIJHCPPK-SDXDJHTJSA-N 434.521 4.123 5 20 IIBD CCOC(=O)c1csc([C@@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2Br)n1 1321076411 UVWHITFUTKWEGL-HNNXBMFYSA-N 440.319 4.328 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)c2cccs2)CC1 1341368520 AOPOYDQWKKWYRN-UHFFFAOYSA-N 434.539 4.130 5 20 IIBD Cc1cscc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)cc([N+](=O)[O-])c1C 1800711040 KEXLGXHIMUMHLT-MUJYYYPQSA-N 447.944 4.492 5 20 IIBD CC/C=C(\C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cccc([N+](=O)[O-])c2)n[nH]1 1815539278 XHCIAAGUBZXCIC-QDGSLSSCSA-N 439.516 4.299 5 20 IIBD CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 1826354224 SPFZCBUKVZZXHV-GOSISDBHSA-N 429.542 4.453 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1C1CCN(C(=O)C23CC(C2)C3)CC1 1832904125 NDTVRKZGYOZMPS-JZYSXYLBSA-N 437.540 4.028 5 20 IIBD Cc1c(C(=O)N2CC3(CCCN3C(=O)[C@H](F)c3ccccc3)C2)cc(Cl)cc1[N+](=O)[O-] 1841821608 VAHWCQUNRPXPLH-LJQANCHMSA-N 445.878 4.084 5 20 IIBD Cc1ccc(CC(=O)N2CC3(CCCN3C(=O)c3ccc(C(C)C)cc3)C2)cc1[N+](=O)[O-] 1844950602 JGWUJHKMJVPENR-UHFFFAOYSA-N 435.524 4.086 5 20 IIBD Cc1cccc(C(=O)N2CC3(CCCN3C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C2)c1 1845739266 CLZFLSCAWMGTNI-UHFFFAOYSA-N 435.505 4.249 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1ccc(OC(F)F)c(Cl)c1 10666806 PELDZRQVWKIWBM-UHFFFAOYSA-N 435.166 4.299 5 20 IIBD COc1cc(CSc2nnnn2-c2ccc(C)cc2C)c([N+](=O)[O-])cc1OC(F)F 11254780 APMMOCWOIWZATQ-UHFFFAOYSA-N 437.428 4.090 5 20 IIBD COc1ccc(C(=O)O[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 11342214 WZDWRYNCLARLBA-QWRGUYRKSA-N 441.267 4.333 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 12785436 CGSBUXQWSZIHKD-UHFFFAOYSA-N 442.928 4.330 5 20 IIBD NC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2-c2ccccc2)c([N+](=O)[O-])c1 16126314 GXMYVNRVGVTILE-UHFFFAOYSA-N 431.477 4.234 5 20 IIBD COc1cc(CCNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])cc1OC 16143870 NTJHYQYRKQYRPT-HNNXBMFYSA-N 430.501 4.036 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)cc2[N+](=O)[O-])C1 22229089 MAQBVVYCZKWRIV-IYBDPMFKSA-N 436.512 4.222 5 20 IIBD C[C@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)NC[C@H](C)c1ccccc1 60731387 VVWWFVVXDMQVQE-IRXDYDNUSA-N 431.561 4.487 5 20 IIBD Cc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccn2)cc1[N+](=O)[O-] 64781141 POHNDFYONNCDJM-UHFFFAOYSA-N 428.452 4.470 5 20 IIBD CSc1nnc(CCCNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)n1C1CCCC1 104960145 MCMWVMDGBMEFDS-AWEZNQCLSA-N 449.602 4.253 5 20 IIBD COC(=O)c1ccc2c(c1)CCN2C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 105559666 ARKQQJLNEUSMEH-UHFFFAOYSA-N 440.399 4.082 5 20 IIBD CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1nc2ccc([N+](=O)[O-])cc2s1 111189901 ZVMSIGLPTREABP-CYBMUJFWSA-N 427.404 4.099 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCCOC3CCCC3)c([N+](=O)[O-])c2)c(C)c1 195668811 XSCJWKQQRPUCHR-UHFFFAOYSA-N 433.530 4.384 5 20 IIBD CN(C)CCCOc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 261446882 OOKIRNCVAARJBM-UHFFFAOYSA-N 429.520 4.124 5 20 IIBD NS(=O)(=O)c1cccc(Sc2nc3cc(C(F)(F)F)ccc3s2)c1[N+](=O)[O-] 302148413 SGKYSWBQOCXENW-UHFFFAOYSA-N 435.430 4.022 5 20 IIBD CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 303972450 UBXYXUFQZDNWFC-SFHVURJKSA-N 439.541 4.276 5 20 IIBD CC(C)(C)OC(=O)C1CCC(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 426185850 DKUOUJZCECKESV-UHFFFAOYSA-N 445.438 4.313 5 20 IIBD O=C(O)[C@H](CN1CCCCC1)NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 426745739 VTPVEUKXTIJNKX-SFHVURJKSA-N 433.892 4.069 5 20 IIBD COc1cc(S(=O)(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)ccc1[N+](=O)[O-] 427806196 QTPJYWOWAXGIIE-UHFFFAOYSA-N 439.493 4.019 5 20 IIBD O=C(O)[C@@H]1CCCN1C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 428046547 VPUYDMBGWWETGH-XOVFHRFOSA-N 437.477 4.211 5 20 IIBD CCN(CC)CCCNC(=O)c1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl 428392479 TXQCMUMVRHKGOZ-UHFFFAOYSA-N 446.935 4.271 5 20 IIBD Cc1cc(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)n(Cc2ccccn2)n1 430816316 ZBABVSBFUVKYHQ-MRXNPFEDSA-N 434.500 4.032 5 20 IIBD Cc1cccc(CC2(O)CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)c1 431934644 DAXKIVVIXYBSFX-UHFFFAOYSA-N 435.427 4.106 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3cccc(N(C)C(C)C)c3)CC2)ccc1[N+](=O)[O-] 432054411 LHXPRIURPUFARR-UHFFFAOYSA-N 441.532 4.192 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CN3CCC4(CCN(Cc5ccccc5)CC4)C3)n2)c1 433060320 XYLZXBLCRWKAPH-UHFFFAOYSA-N 433.512 4.133 5 20 IIBD COc1cc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc(OC)c1OC 435933598 FXVMYAJGGHHGDL-UHFFFAOYSA-N 440.402 4.238 5 20 IIBD Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 437921568 JWKNLFSVICUGBX-UHFFFAOYSA-N 425.470 4.373 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1 439891631 QEKMRAUTULACFV-UHFFFAOYSA-N 430.436 4.015 5 20 IIBD O=C(NC1(c2noc([C@H]3CCOC3)n2)CCCCCC1)c1ccc([N+](=O)[O-])cc1Cl 439902815 NQJYJSCPCVWHAV-ZDUSSCGKSA-N 434.880 4.115 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H](C)c1sc(C(C)C)nc1C 440028116 ONIHKBZNQTXVPG-ZDUSSCGKSA-N 434.518 4.040 5 20 IIBD O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCC(O[C@H]2CCOC2)CC1 441078590 IXPAQDSERONFON-KRWDZBQOSA-N 428.510 4.156 5 20 IIBD O=C(NCCN1CCc2c(Cl)cccc2C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 443555106 ATFJYPXAFJKNMN-UHFFFAOYSA-N 449.913 4.262 5 20 IIBD CCN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1S(=O)(=O)CC 443984989 XGHUJFIJUYGPDN-UHFFFAOYSA-N 445.522 4.179 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCC(Oc2ccccn2)CC1 444087053 QBFXKFPPCKGUAV-UHFFFAOYSA-N 435.430 4.038 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 444479008 LVNVRCDOSKVJNJ-UHFFFAOYSA-N 445.541 4.417 5 20 IIBD CC(C)c1c(C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cnn1-c1ccc(Cl)cc1 444634208 HAABAMFPTLNEPI-UHFFFAOYSA-N 438.875 4.364 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 446957894 BPKIVMIETYFQOE-UHFFFAOYSA-N 432.889 4.249 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2cccc(-c3noc(C(F)(F)F)n3)c2)c1[N+](=O)[O-] 447274154 LIWXEXJUXZJNCR-UHFFFAOYSA-N 442.375 4.081 5 20 IIBD O=C(Nc1ccc(F)cc1)c1ccc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 447588973 WPNDOWBITGGTLC-SFTDATJTSA-N 437.475 4.456 5 20 IIBD O=C(c1csc(-c2ccc3c(c2)OCO3)n1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 460349883 IBFSPHAVHFBORV-FQEVSTJZSA-N 441.490 4.335 5 20 IIBD Cc1nc2cc(C(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)ccc2n1Cc1ccsc1 461406489 WLUJMQNJLBGLGG-UHFFFAOYSA-N 448.504 4.398 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(Oc2c(OC)cccc2OC)CC1 462433478 ZNVHMSXQYFUPNI-SFHVURJKSA-N 442.512 4.251 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1 464053539 SARKXSXEBZCKQS-QGZVFWFLSA-N 448.479 4.002 5 20 IIBD CC(C)Oc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 464673456 OABNCFTXJSXBDK-AWEZNQCLSA-N 437.905 4.340 5 20 IIBD NC(=O)c1ccc(CNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])o1 466436513 LUTSZGSEJXLUSM-UHFFFAOYSA-N 431.857 4.021 5 20 IIBD Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 469145941 VZNQXYFXXBWXCQ-UHFFFAOYSA-N 435.871 4.910 5 20 IIBD COC(=O)c1nc([C@@H]2CCCN2C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)sc1C 471974793 CFCOOFIXNMKUAL-WFASDCNBSA-N 432.502 4.062 5 20 IIBD COc1cccc(OC)c1OC1CCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 475560274 IGSHDBJZAZMBFD-UHFFFAOYSA-N 429.473 4.304 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1ccn(-c2ccccc2F)n1 478129591 AELKTCYHTXWXIY-UHFFFAOYSA-N 430.395 4.403 5 20 IIBD COC(=O)C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 479407620 KZGXMHFYKRZNFX-MRXNPFEDSA-N 442.415 4.126 5 20 IIBD CCn1c(SCC(=O)N2c3ccccc3CC[C@H]2C)nnc1-c1ccc([N+](=O)[O-])cc1 481337255 KNCQSIRBCMJHDQ-OAHLLOKOSA-N 437.525 4.333 5 20 IIBD CCn1c(SCC(=O)N2CCSc3ccccc32)nnc1-c1ccc([N+](=O)[O-])cc1 481338431 JCNKCJCAGZYMQZ-UHFFFAOYSA-N 441.538 4.104 5 20 IIBD CC(C)n1cc2c(n1)C[C@H](NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC2 481865372 JCWPUBFJNVEGGO-CQSZACIVSA-N 442.463 4.157 5 20 IIBD CSc1cc(C(=O)O)ccc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 484578892 XDBOQCXPNXOAHX-UHFFFAOYSA-N 437.282 4.123 5 20 IIBD CSc1cccc(C(=O)NC2(c3noc([C@H]4CCOC4)n3)CCCCCC2)c1[N+](=O)[O-] 486410181 RJTUINJRPSSVEY-AWEZNQCLSA-N 446.529 4.183 5 20 IIBD Cc1ccc([C@H](C)NC(=O)c2nnn(-c3ccccc3F)c2C(F)(F)F)cc1[N+](=O)[O-] 488070499 PKAMHOXWNRCMQE-NSHDSACASA-N 437.353 4.133 5 20 IIBD C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1nc(-c2ccncc2)cs1 488248296 IFUKKNHTKHKMGV-SNVBAGLBSA-N 433.287 4.367 5 20 IIBD CCOc1ccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1Br 488359303 UGZRRAFCIGVPCW-UHFFFAOYSA-N 435.683 4.210 5 20 IIBD CN(C(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1)C1CCOCC1 488395166 JECKZAANXBQRLG-UHFFFAOYSA-N 439.512 4.396 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCC(Cc3ccccc3CO)CC2)cc1[N+](=O)[O-] 490388456 XBLZVAWAGZYKTH-UHFFFAOYSA-N 447.329 4.253 5 20 IIBD O=[N+]([O-])c1ccc([C@@H]2SCCN2S(=O)(=O)c2csc(-c3ccccc3)n2)cc1 497992880 JBHGNYRQBYMXJP-SFHVURJKSA-N 433.536 4.155 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(N3CCCC3=O)ccc2Cl)cc1OC 498291230 FMKYWPNIUNTEKI-UHFFFAOYSA-N 433.848 4.035 5 20 IIBD C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 501511386 QWUGIWUXIVTGJX-NSHDSACASA-N 428.338 4.066 5 20 IIBD COc1cc(C(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)cc([N+](=O)[O-])c1OC 503838684 FUWYZRVDBYAIBW-SFHVURJKSA-N 441.871 4.374 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCc2c(Br)cccc2C1 503877895 WROWOISJUALKHU-LLVKDONJSA-N 439.693 4.363 5 20 IIBD COC(=O)C[C@H](NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)c1ccc(Br)cc1 503975794 YPCUFCBTAAKBET-HNNXBMFYSA-N 436.262 4.092 5 20 IIBD CCOc1ccc([C@H](C)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cc1[N+](=O)[O-] 504905717 MUJVJUJSNXFCEN-FHWLQOOXSA-N 427.545 4.454 5 20 IIBD COc1cccc([C@H](C)N2CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC2)c1 505520695 RBWQFUXRHMHTOQ-KRWDZBQOSA-N 425.529 4.420 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCN[C@@H](c2ccncc2)C1 505579401 QUXSYVNUGUKYDW-LJQANCHMSA-N 438.871 4.222 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 506420162 COFZWFVKLDGRDK-UHFFFAOYSA-N 439.855 4.338 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 507307606 YGZNIKFRBDLONU-OAHLLOKOSA-N 425.514 4.159 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 512972905 HUMYSHINFYWFEM-UHFFFAOYSA-N 433.443 4.025 5 20 IIBD C[C@@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1=O 513481275 AMNIGRVJDHZYQF-XOBRGWDASA-N 445.466 4.019 5 20 IIBD COc1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1OC 514596526 IHZBFRIINOBJIC-UHFFFAOYSA-N 435.480 4.197 5 20 IIBD COC(=O)c1ccc(OCC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)c([N+](=O)[O-])c1 515425552 PBQCZGHTWMJSCD-QGZVFWFLSA-N 432.448 4.193 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1ccc2nc(N3CCCC3)sc2c1 516786477 HUORMWXDUDPXRW-UHFFFAOYSA-N 438.918 4.259 5 20 IIBD CCCNC(=O)c1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1Cl 517668114 JBKMQXZEJUBNCR-UHFFFAOYSA-N 444.919 4.243 5 20 IIBD COc1ccc([C@@H](Cc2ccccc2)Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 517791356 JVMSDPRSLMGNTR-OAQYLSRUSA-N 426.494 4.403 5 20 IIBD CCCCOc1ccc([C@@H](C)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1OC 517909584 FLNCNQAELQLYEF-CYBMUJFWSA-N 442.921 4.475 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CNc3cc(Cl)ccc3OC[C@H]3CCCO3)n2)c1 518701236 JBEDWXODWGBCQF-MRXNPFEDSA-N 430.848 4.468 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1nc(-c2cccc(F)c2)no1 521076207 NMRCCRVEVVTRQB-SNVBAGLBSA-N 449.236 4.346 5 20 IIBD O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N(Cc1ccncc1)C[C@H]1CCCO1 521755328 ZCQRUAHOZQERRK-JOCHJYFZSA-N 446.507 4.423 5 20 IIBD COc1cc(NCc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])ccc1NC(C)=O 522283191 ILWDPCJWRWNGTO-UHFFFAOYSA-N 443.378 4.124 5 20 IIBD O=C(NCCNc1nccc(C(F)(F)F)n1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 524115959 ZAXKLHREJVBOCM-UHFFFAOYSA-N 447.373 4.038 5 20 IIBD COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 524974522 ILUQOOFNAVPWOY-INIZCTEOSA-N 447.919 4.430 5 20 IIBD Cc1noc(-c2ccc(C)c(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)c2)n1 533327467 ONKXXJFLQROQNY-UHFFFAOYSA-N 442.375 4.081 5 20 IIBD O=C(Nc1ccc(F)cc1)C1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 533508928 PYKNGGSOICRPLP-UHFFFAOYSA-N 438.459 4.282 5 20 IIBD O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCC[C@@H]1[C@@H](O)C(F)(F)F 535443347 UHFYCFJKRNVABX-IAGOWNOFSA-N 426.416 4.274 5 20 IIBD Cc1c(Cl)cccc1NC(=O)C[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 535509589 ATRCOICIBGKRBE-LJAQVGFWSA-N 433.873 4.099 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cc(OC(F)F)cc(OC(F)F)c1 537592672 ROQAXDYCNOTCIE-UHFFFAOYSA-N 436.745 4.424 5 20 IIBD CCCCn1ccnc1-c1cccc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1 538497690 JQSVYSYQQTVJIO-UHFFFAOYSA-N 428.514 4.243 5 20 IIBD Cc1nnc(N(CCC(C)C)C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc12 539001844 APPKKUJDQIRGBZ-UHFFFAOYSA-N 449.511 4.046 5 20 IIBD C[C@H](C(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1)c1ccc([N+](=O)[O-])cc1F 541621438 COPQEVQOSOQUFK-AWEZNQCLSA-N 434.427 4.074 5 20 IIBD Cc1cc(-c2noc([C@H](C)NCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])n2)ccc1F 543544555 GJLAGESSLKPYIS-NSHDSACASA-N 433.827 4.035 5 20 IIBD C[C@H](NC(=O)CSc1ccccc1[N+](=O)[O-])[C@H](OC1CCOCC1)c1ccccc1 544089244 CMURULFSYJUGCP-AOMKIAJQSA-N 430.526 4.129 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cnn(-c2ccccc2)c1C(F)(F)F 546527260 SRLPNAXFACANGT-UHFFFAOYSA-N 429.358 4.393 5 20 IIBD CN1CCCN(c2ccc(-c3noc(COc4ccccc4[N+](=O)[O-])n3)cc2Cl)CC1 547183279 WWFXEVIKERITCE-UHFFFAOYSA-N 443.891 4.019 5 20 IIBD COc1ccc(CC(=O)N[C@H](c2cc(F)cc(Br)c2)C2CC2)cc1[N+](=O)[O-] 548165996 DJKLFHWMEFDGMS-IBGZPJMESA-N 437.265 4.315 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1 549198950 CNWIZAOVBSMMQT-UHFFFAOYSA-N 434.374 4.128 5 20 IIBD O=C(N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1(Cc2cccc(F)c2)CCOCC1 551546229 DBVZKZXVLFKING-UHFFFAOYSA-N 442.487 4.143 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3C[C@@H](N4CCCC4)C[C@@H]3C)cc2[N+](=O)[O-])n1 553168785 VABZZQIDNYXPTA-HOCLYGCPSA-N 432.571 4.210 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2c2nc(-c3cc(OC4CCC4)ccn3)no2)ccc1[N+](=O)[O-] 567962665 UYSRYDSKQBNHFI-FQEVSTJZSA-N 449.467 4.257 5 20 IIBD CC(C)[C@@]1(CO)CCCN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 572315631 SERUOURPLQYRPC-SBUREZEXSA-N 426.517 4.034 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cncc(Cl)c2Br)cc1OC 579056214 SGGHLBKQWYPFOR-UHFFFAOYSA-N 430.642 4.065 5 20 IIBD CC[C@@](C)(NCc1cc(I)cc([N+](=O)[O-])c1)c1nc(C)cs1 589256441 OWMNEDYRIJPVBA-OAHLLOKOSA-N 431.299 4.379 5 20 IIBD CC(C)(C)NS(=O)(=O)c1cccc(NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 600860737 ONTOOWBVUVSXQB-UHFFFAOYSA-N 431.436 4.303 5 20 IIBD COC(=O)c1cc(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc([N+](=O)[O-])c1 603572861 JLNMOGZTLWGJAU-GDNZZTSVSA-N 442.312 4.021 5 20 IIBD CN(C)C(=O)Cc1ccc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1 603910932 CZWYSQSBOXMJLN-UHFFFAOYSA-N 432.480 4.090 5 20 IIBD O=C(Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)N[C@H](c1ccccc1)c1cccc(Cl)c1 603911875 NAHXKXCAIAWVSJ-OAQYLSRUSA-N 437.839 4.062 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 604038163 UFFHWZAUQOSSQF-UHFFFAOYSA-N 435.889 4.266 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NC3CCN(C(=O)c4ccoc4)CC3)c([N+](=O)[O-])c2)cc1 608972346 AQPVTXUQJSMZFZ-UHFFFAOYSA-N 448.479 4.465 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)N2C[C@H](c3ccccc3Cl)OC[C@H]2C)cc1[N+](=O)[O-] 609545313 COSXFPXMFZLGFT-ADLMAVQZSA-N 445.324 4.361 5 20 IIBD O=C(NCCCNc1ccccn1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 609884191 CLUFEGRRGUQTJO-UHFFFAOYSA-N 439.903 4.487 5 20 IIBD O=C(Nc1ccc(OCC2CCOCC2)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 609908562 DHCYEZWAJZWUKS-UHFFFAOYSA-N 439.512 4.255 5 20 IIBD O=C(NCc1ccco1)c1cccc(COc2ccc([N+](=O)[O-])cc2Br)c1 609961961 OBWHIQUMRIVRJQ-UHFFFAOYSA-N 431.242 4.459 5 20 IIBD C[C@@H](N=c1c([N+](=O)[O-])c[nH]c2ccc(Br)cc12)c1ccc2nc(O)[nH]c2c1 610515009 UMJRPCCUOMRURP-SECBINFHSA-N 428.246 4.082 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCc2ccccc2[C@H]1Cc1ccccc1 611141964 WGTFUFZRKSQUKL-MHECFPHRSA-N 443.503 4.082 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCc2[nH]c3c(Br)cccc3c2C1 614938272 GKNYOEODUKFILE-UHFFFAOYSA-N 445.273 4.437 5 20 IIBD CC(C)c1ccc(C(=O)Nc2nc(-c3cccc(-n4cnnn4)c3)cs2)cc1[N+](=O)[O-] 615186601 XHECBJALNMRBEE-UHFFFAOYSA-N 435.469 4.070 5 20 IIBD CCCC[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)Nc1cc(C)on1 725986047 RTGIFIVVITXTBQ-CQSZACIVSA-N 440.250 4.008 5 20 IIBD CC[C@@H](OC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(N)=O 726988600 LCLLDAMAXNYABK-CYBMUJFWSA-N 428.388 4.186 5 20 IIBD COc1ccccc1N1C(=O)/C(=C/c2ccc(OC)c([N+](=O)[O-])c2)c2ccccc2C1=O 730151281 JHDXWPIPXONZHB-QGOAFFKASA-N 430.416 4.340 5 20 IIBD O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(C2SCCCS2)cc1 731505827 UHJLWLQBBILLKV-SFHVURJKSA-N 444.534 4.426 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCCc1c[nH]c2cc(Cl)ccc12 731997127 SDKIZHFWBYHBES-UHFFFAOYSA-N 429.832 4.380 5 20 IIBD NC(=O)c1ccc(COC(=O)[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1 732587727 SAPUNXYWMMRRTA-YADHBBJMSA-N 446.459 4.120 5 20 IIBD CC(C)[C@@H](c1ccccc1)N(C)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 732988255 SVIGCUCFWPDSAO-KRWDZBQOSA-N 427.320 4.375 5 20 IIBD Cc1nnnn1/C(=C\c1ccccc1)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 735251846 SCTCZWUWHQBQII-HMAPJEAMSA-N 442.435 4.319 5 20 IIBD CS(=O)(=O)c1ccc(Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c([N+](=O)[O-])c1 735302213 XWRTVRABHZMFFY-UHFFFAOYSA-N 429.410 4.442 5 20 IIBD O=C(CCc1nc(-c2ccoc2)no1)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 739472428 CTSBLBCSVWBFBV-UHFFFAOYSA-N 448.391 4.028 5 20 IIBD CCN(c1ccc(NC(=O)COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1)C(C)C 740391031 YXRRASUAIKLZBF-UHFFFAOYSA-N 427.501 4.289 5 20 IIBD CN(CC(=O)Nc1ccc(-c2nnc3n2CCCCCC3)cc1)c1ccccc1[N+](=O)[O-] 742503889 TYJFGBARDMCTSV-UHFFFAOYSA-N 434.500 4.045 5 20 IIBD CCOc1cccc(NC(=S)/C(=C(/O)c2cccc([N+](=O)[O-])c2)[n+]2cccc(O)c2)c1 743052971 SGINUJGJEFCGHN-UHFFFAOYSA-O 438.485 4.310 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@]12CCc1ccccc12)c1cccc([N+](=O)[O-])c1 743315318 ZKJVBYQKVVSCGB-AMZDPNTKSA-N 448.519 4.427 5 20 IIBD Cc1c(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cccc1N1CCOC1=O 743788910 CAYYTBIFFVAKMW-UHFFFAOYSA-N 427.460 4.058 5 20 IIBD CSc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 744562448 KCOCUADBSSWYRB-CQSZACIVSA-N 429.498 4.101 5 20 IIBD C[C@@H](CC(=O)c1cccc(F)c1)C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 745395242 JOGPPDKRFYAJAA-RYUDHWBXSA-N 436.823 4.167 5 20 IIBD CCOC(=O)N(C)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 746592436 XZRDXUNEXWUBDV-UHFFFAOYSA-N 447.391 4.007 5 20 IIBD COC(=O)c1occc1CN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@H](C)c1ccccn1 751132168 XYGNPSBVVHTXRU-CYBMUJFWSA-N 443.843 4.426 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)Cc1ccc(I)cc1 754174632 UTVQNRLBFZYVJG-UHFFFAOYSA-N 444.656 4.054 5 20 IIBD C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 754993690 JTLWZSUQKRBNOT-SWLSCSKDSA-N 436.281 4.062 5 20 IIBD Cc1c(C(=O)N(Cc2ccc(F)cc2)C2CCOCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 756785226 VEFFIQFPWPSNEE-UHFFFAOYSA-N 431.420 4.080 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NCC1(c2ccccc2Cl)CCOCC1 756963864 GJVRNMWWIQBKSA-UHFFFAOYSA-N 438.311 4.449 5 20 IIBD COC(=O)c1ccc(COC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)s1 757997774 SMWJAWVQRODORD-ZDUSSCGKSA-N 441.465 4.368 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCc2ncc(NC(=O)Nc3ccc([N+](=O)[O-])cc3F)cc2C1 758370693 XMNSWNIPVSMLND-CYBMUJFWSA-N 445.451 4.155 5 20 IIBD O=C(CCc1cc(Br)cs1)O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 759926123 AHGQZSXYQFHPNB-ZIAGYGMSSA-N 428.308 4.275 5 20 IIBD CN(Cc1ccccc1)CC1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)CC1 760815166 KSFHOBYSKBJMBV-UHFFFAOYSA-N 446.345 4.342 5 20 IIBD C[C@H](OC(=O)c1cc(Cl)c(N)c(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 761447720 DHQPRAMCFFZKHL-ZETCQYMHSA-N 432.647 4.321 5 20 IIBD Cc1c(Cc2noc([C@@H]3CC34CCN(C(=O)OC(C)(C)C)CC4)n2)cccc1[N+](=O)[O-] 762318883 ICRWKDUJDVVBKX-INIZCTEOSA-N 428.489 4.382 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c(Br)c1 763402604 KNULHAOMHIDWJY-OLZOCXBDSA-N 435.274 4.340 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)O[C@H]2CCOC3(CCOCC3)C2)cc1 765693730 UTKRIEPVGBPMJA-IBGZPJMESA-N 443.452 4.281 5 20 IIBD O=C(Nc1ccccc1)[C@H](Cc1ccccc1)NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 765886044 QLCQLKYPTLONAY-VWLOTQADSA-N 444.535 4.403 5 20 IIBD CCOc1ccc([C@H]2CCCN2C(=O)COC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 766230952 QOOPZELODKGIGN-HXUWFJFHSA-N 449.463 4.062 5 20 IIBD O=C(OCc1ccc(OCC(F)(F)F)cc1)c1cc(Br)ncc1[N+](=O)[O-] 769834300 BTRMYVFJDDHNAQ-UHFFFAOYSA-N 435.152 4.050 5 20 IIBD Cc1cc(C(=O)O[C@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])n2nc(C)cc2n1 774366703 CZPAUACWWQEQAW-QGZVFWFLSA-N 447.289 4.062 5 20 IIBD C[C@@H](OC(=O)c1coc(-c2ccccc2Cl)n1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 776441471 ZAVSEOXVYSNIBZ-SNVBAGLBSA-N 433.779 4.226 5 20 IIBD Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 778798371 SOGUPJAAAMDHKY-OAHLLOKOSA-N 448.501 4.142 5 20 IIBD CC(C)[C@@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(F)cc1 778891212 BNTWXKNJLBAFIV-GOSISDBHSA-N 440.374 4.006 5 20 IIBD CC(C)COC(=O)Nc1cccc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 781610893 UYSGVYOLDFPBPP-UHFFFAOYSA-N 430.417 4.279 5 20 IIBD CC[C@@H]1C[C@@H](CC(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 781781836 RTXUJNFRCKMODN-MBNYWOFBSA-N 432.395 4.079 5 20 IIBD C[C@@H](OC(=O)c1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1)c1ccccc1[N+](=O)[O-] 784847324 ARRHQVJHZATKMW-WBVHZDCISA-N 444.488 4.281 5 20 IIBD O=C(NCC1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1)OCc1ccccc1 787788910 CTODYDWWUCUIGA-UHFFFAOYSA-N 431.876 4.027 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Oc2ccccc2Oc2ccccn2)c(C)c1[N+](=O)[O-] 790838081 JXEFJRBTCXBLKZ-UHFFFAOYSA-N 445.409 4.075 5 20 IIBD CN(C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)[C@@H]1CCC(C)(C)C1 794273008 YDMNCIGREIFMLX-QGZVFWFLSA-N 432.498 4.013 5 20 IIBD Cc1cccc(NC(=O)[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc2)c1C 794740124 ROOFFTAGMZRZQC-OAQYLSRUSA-N 448.435 4.230 5 20 IIBD O=[N+]([O-])c1ccc(F)c(NS(=O)(=O)c2cc(Cl)c(Br)cc2F)c1 795564910 XWXSMUSSCWSQPJ-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD CCc1[nH]nc(C(=O)O[C@H](C)C(=O)Nc2ccccc2Sc2ccccc2)c1[N+](=O)[O-] 795617618 YZAIGUFSGRXWQL-CYBMUJFWSA-N 440.481 4.216 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)O[C@H](C)C(=O)Nc1ccccc1C(F)(F)F 795710464 GRSWRWVTRPPDSX-LLVKDONJSA-N 426.347 4.196 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 795710880 IFHZHQXVRBGHJX-UHFFFAOYSA-N 446.765 4.461 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@@H](OC(C)C)c3ccccc3)CC2)ccc1[N+](=O)[O-] 796911408 ZPFXTJGTJDGKBR-QFIPXVFZSA-N 428.485 4.282 5 20 IIBD Cc1cc(OCC(=O)N2CCC[C@H]2c2c(C)nn(CC(C)C)c2Cl)ccc1[N+](=O)[O-] 797633595 CIVJKYJBPGJRGS-SFHVURJKSA-N 434.924 4.460 5 20 IIBD Cc1c(C(=O)N2CCC[C@@H](Cn3cnc4ccccc43)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 797752057 HDTFEPKOVYUYKC-MRXNPFEDSA-N 437.456 4.022 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 798283129 NHJBHYPUDUIMOQ-MRXNPFEDSA-N 440.500 4.034 5 20 IIBD C[C@H](Nc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 799929162 ODZLQRQLIHWJTI-AWEZNQCLSA-N 442.453 4.477 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2cn[nH]c2)c1 801165971 IZIAFNYASYCTLR-UHFFFAOYSA-N 448.220 4.150 5 20 IIBD O=C(Cc1ccc(O)cc1)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 808893155 VAQSFLSVLSHJIJ-NRFANRHFSA-N 440.839 4.420 5 20 IIBD C[C@@]1(c2ccc(F)cc2F)NC(=O)N(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1=O 809957231 WQJVAUPUZLYPAH-KRWDZBQOSA-N 430.194 4.147 5 20 IIBD C[C@H](N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(N2CCCCC2=O)cc1 810127744 FPYAJQPTILIKDJ-LSDHHAIUSA-N 444.919 4.443 5 20 IIBD COc1ccc(C2=N/C(=C\c3cc(Cl)cc(Cl)c3[N+](=O)[O-])C(=O)O2)cc1[N+](=O)[O-] 811625169 GAPNZAOVQCFGJW-XGICHPGQSA-N 438.179 4.163 5 20 IIBD CCc1nnc(N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)n1Cc1ccccc1 812049706 MHTBZSHMEIFPOD-UHFFFAOYSA-N 442.317 4.122 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)c(F)cc2C(=O)NCC(F)(F)F)c1 813288297 FZBVFJYHQXCNET-UHFFFAOYSA-N 445.394 4.309 5 20 IIBD CC(C)c1[nH]nc(C(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-] 814247612 OFEOCGUKASQZNM-UHFFFAOYSA-N 448.523 4.230 5 20 IIBD CC(C)(CCCNC(=O)OC(C)(C)C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 817212402 OIDCPTNYEBDUOK-UHFFFAOYSA-N 444.326 4.171 5 20 IIBD CCOC(=O)c1cc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c2ccccc2n1 821647798 OEPBZYBOBWXNQE-ZDUSSCGKSA-N 425.466 4.439 5 20 IIBD CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] 857263539 UMAXKIXNEUOHFN-UHFFFAOYSA-N 429.782 4.156 5 20 IIBD O=C(c1cc(-c2ccccc2)nc2ccccc12)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 914740157 SHZQXVPGMAKFPI-UHFFFAOYSA-N 439.475 4.167 5 20 IIBD O=[N+]([O-])c1ccc(NCC2(c3cccc(Br)c3)CCOCC2)c([N+](=O)[O-])c1 917091002 ZKHPUWWUEDVJCR-UHFFFAOYSA-N 436.262 4.426 5 20 IIBD Cc1ccc(CNC(=O)c2ccccc2NC(=O)CCOc2ccccc2[N+](=O)[O-])cc1 917627482 DHTIOEOWCGELPG-UHFFFAOYSA-N 433.464 4.241 5 20 IIBD CC1=C(C(=O)N(C)C)[C@H](c2csc([N+](=O)[O-])c2)NC(=S)N1c1ccccc1Cl 918014092 IFFOJJATRPLETR-INIZCTEOSA-N 436.946 4.108 5 20 IIBD CN(c1ccccc1)c1ccc(C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cn1 919213214 BJUKAKJWGQXXNX-UHFFFAOYSA-N 431.408 4.165 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CCN(C(=O)OCc2ccccc2)CC1 919868936 ADTPCSSYHSCHBE-UHFFFAOYSA-N 439.512 4.381 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 921009060 OGNRPDYLWQRMIV-CYBMUJFWSA-N 440.456 4.244 5 20 IIBD O=C(NC1CC1)c1ccc(CN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C2CC2)cc1 1117586051 RURYJFPABBPEFE-UHFFFAOYSA-N 437.887 4.253 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)c1nn(-c2ccccc2F)cc1Br 1117663846 VJCZZWHZQYDXFT-UHFFFAOYSA-N 433.237 4.497 5 20 IIBD O=[N+]([O-])c1ccc(CN(CCc2ccccn2)Cc2cccnc2)c(Br)c1 1256428415 QLEQHLWXOURBQE-UHFFFAOYSA-N 427.302 4.392 5 20 IIBD O=Cc1ccc(-c2ccc(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2)o1 1318307594 RUEPGBDRISYYQG-UHFFFAOYSA-N 428.784 4.116 5 20 IIBD O=C(Nc1ccccc1C(=O)N1CC[C@@H]2OCCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1Cl 1319273645 WCRPTFDMXOQTNL-XOBRGWDASA-N 443.887 4.142 5 20 IIBD C[C@@H](OC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])C(=O)NCc1ccco1 1321668155 BPUHNQXWCGVKHP-CQSZACIVSA-N 426.450 4.201 5 20 IIBD COc1cc(NC(=O)c2ccccc2)c(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc1OC 1329739025 SBDQYOHNFXRQQO-UHFFFAOYSA-N 447.447 4.020 5 20 IIBD COc1ccc(NC(=O)N(CCNC(=O)OC(C)(C)C)Cc2ccccc2)c([N+](=O)[O-])c1 1520136058 VCSHDCTVIHILSP-UHFFFAOYSA-N 444.488 4.162 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)C)CCC3)cc2)c1 1790054210 AGOGUTFUYPJDEA-UHFFFAOYSA-N 438.528 4.455 5 20 IIBD Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(O)c([N+](=O)[O-])c4)cc3)CCC2)nc1 1790619229 YNFSVZISQRQJDD-UHFFFAOYSA-N 446.463 4.065 5 20 IIBD O=C(CCc1ccoc1)Nc1ccc(C2(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)CCC2)cc1 1791955651 CMYIOEMKSWLYKQ-UHFFFAOYSA-N 449.463 4.274 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccs1)c1cc2cc([N+](=O)[O-])ccc2s1 1794968761 FSEAZHYSQKHINY-QDMKHBRRSA-N 441.534 4.437 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCC2(CCCN(C(=O)CCC3CCC3)C2)CC1 1805789420 MDMCVAPPDQZPAG-RMKNXTFCSA-N 429.517 4.013 5 20 IIBD CC(C)c1cccc(NC(=O)COC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 10377641 GYLGBJKOVVNIRI-UHFFFAOYSA-N 425.485 4.117 5 20 IIBD CCOc1ccc(N2C(=O)c3ccc(C(=O)OCc4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1 11175391 QXBVZAUDIDFIJW-UHFFFAOYSA-N 446.415 4.151 5 20 IIBD O=C(Nc1ccccc1C(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 15373096 JKKLUNUPQRBODB-UHFFFAOYSA-N 438.871 4.342 5 20 IIBD CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)COc1ccccc1[N+](=O)[O-] 16011307 QGDHECKKRRPPKE-UHFFFAOYSA-N 430.848 4.114 5 20 IIBD Cc1cccc(C(=O)Nc2ccccc2C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 21990287 DNTICEMYCYMZEG-UHFFFAOYSA-N 447.447 4.259 5 20 IIBD COc1cc(CN2CCC(C(=O)Nc3ccccc3)CC2)c([N+](=O)[O-])cc1OC(F)F 24856663 VUPNSIODGRSYNC-UHFFFAOYSA-N 435.427 4.056 5 20 IIBD CCN(CC)[C@H](CNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])c1ccccc1Cl 32317730 HSNQOZUEMSWPLG-GOSISDBHSA-N 435.908 4.078 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 58165181 QYRPYYNAOQXCOO-SFHVURJKSA-N 444.488 4.472 5 20 IIBD O=C(N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(Br)c([N+](=O)[O-])c1 59852265 XKWPEXNZTSCFAH-GOSISDBHSA-N 433.258 4.010 5 20 IIBD Cc1ccccc1CN(Cc1cccnc1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 60510749 NKAKMQDQLLBCMQ-UHFFFAOYSA-N 431.901 4.343 5 20 IIBD O=C1[C@H](Sc2nnc(-c3cccs3)n2C2CC2)CCN1c1cccc([N+](=O)[O-])c1 78768298 QLUKAUZPRYYWBB-MRXNPFEDSA-N 427.511 4.147 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(NC[C@H]3CCN(c4cccc(Br)c4)C3)cc2N1 195640632 GOXNPLWGCDQIFO-CYBMUJFWSA-N 445.317 4.180 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCC(c2nc3ccccc3o2)CC1 301245773 OCCACOIMKRFVSH-UHFFFAOYSA-N 437.424 4.116 5 20 IIBD O=C(c1c(F)cc(F)cc1F)C1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 301564650 VFXLOKBEMQNXTJ-UHFFFAOYSA-N 444.207 4.269 5 20 IIBD CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCN(c2ccccc2Cl)C1=O 303521478 ZEFWNKCLAYVGMK-IBGZPJMESA-N 440.887 4.183 5 20 IIBD Cc1csc(NC(=O)CSc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])n1 409655078 DSZGFHOKTMWZLP-UHFFFAOYSA-N 428.364 4.140 5 20 IIBD Cc1ccn2cc(CNC(=O)c3ccc(N[C@H](C)c4ccccn4)c([N+](=O)[O-])c3)nc2c1 410087984 JERICIRHVBXSOQ-MRXNPFEDSA-N 430.468 4.049 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 427113694 KSUVROCQGHXQNW-KRWDZBQOSA-N 446.301 4.104 5 20 IIBD CC(C)(NC(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 429175714 VCNRRTFGFWKVQW-NFBKMPQASA-N 429.492 4.042 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](OCCCc2ccccc2)C1 430957807 UTSSBCCUFMLMRA-APWZRJJASA-N 431.920 4.299 5 20 IIBD CCc1ccc([C@@H](c2cccnc2)N(CC)S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 431908914 IEAVOXJVVATJPH-NRFANRHFSA-N 443.500 4.492 5 20 IIBD O=C(Nc1cccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1)c1ccoc1 432680050 QJCQGDJNRMLPJO-UHFFFAOYSA-N 430.214 4.455 5 20 IIBD CCOc1cc(CN2CCSC(C)(C)CC2)ccc1OCCn1c([N+](=O)[O-])cnc1C 435045427 JXVXCEQWRCJXAC-UHFFFAOYSA-N 448.589 4.295 5 20 IIBD Cc1ccc([C@@H](NC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)c2ccccc2)cc1 435618414 SRWFPWSIJFOHDY-DEOSSOPVSA-N 443.459 4.076 5 20 IIBD COc1cc(C(=O)N[C@@H]2CC[C@H](C(=O)O)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 435719603 OINSXIFTGVCVAN-GXTWGEPZSA-N 434.832 4.032 5 20 IIBD O=C(NCCc1ccc(-n2cccn2)cc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 435935945 NHQQMNGPTOXYJW-UHFFFAOYSA-N 444.441 4.118 5 20 IIBD COc1ccc(Br)c(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1 436056820 DNXQUJNBCZBCPS-UHFFFAOYSA-N 437.293 4.382 5 20 IIBD O=C1CCc2cc(F)c(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)cc2N1 436083604 OXUJVUAYFJSLQB-UHFFFAOYSA-N 437.377 4.236 5 20 IIBD CCCCCC(=O)NC1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC1 436250803 GVKIVZHQOZDASH-UHFFFAOYSA-N 437.515 4.122 5 20 IIBD COC(=O)CCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 437274863 JDPTYOHTFLANBA-UHFFFAOYSA-N 426.347 4.198 5 20 IIBD O=C(Nc1ccccc1C(=O)N1CCc2ncsc2C1)c1ccc([N+](=O)[O-])cc1Cl 438683143 GYGCPPDRXMSZRS-UHFFFAOYSA-N 442.884 4.156 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccccc1Oc1ccccc1 439721053 RGUYVABFOKJDFH-UHFFFAOYSA-N 435.436 4.041 5 20 IIBD O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCC(O[C@@H]2CCOC2)CC1 441078592 IXPAQDSERONFON-QGZVFWFLSA-N 428.510 4.156 5 20 IIBD O=C(CN(Cc1ccccc1[N+](=O)[O-])C1CC1)NCc1ccc(F)cc1C(F)(F)F 441251322 HATIBKGWXPDGKN-UHFFFAOYSA-N 425.382 4.034 5 20 IIBD Cc1nc([C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c2ccccc2F)no1 444027592 FIZXZYBUNJOYCX-NRFANRHFSA-N 428.423 4.031 5 20 IIBD Cc1nc(-c2ccc(CNC(=O)Cc3ccc([N+](=O)[O-])cc3Br)o2)cs1 445732855 LXCVNAWLUXZRCQ-UHFFFAOYSA-N 436.287 4.241 5 20 IIBD CSc1ccc(-c2nc(Cc3ccc(OCC(F)(F)F)nc3)no2)cc1[N+](=O)[O-] 446007461 PFVDKFZQNISTQB-UHFFFAOYSA-N 426.376 4.294 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)c(C(F)(F)F)c1 447024986 AVBGLDTUGGJTKU-UWVGGRQHSA-N 434.358 4.261 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 447692519 FZXGIESAGPQUFT-UHFFFAOYSA-N 437.243 4.018 5 20 IIBD C[C@H](Nc1cc(CN2CCOCC2)ccc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F 447813802 UNGTVLFJMJKLNO-AWEZNQCLSA-N 431.443 4.345 5 20 IIBD COC(C)(C)C[C@@H](C)NC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 460259037 GIAOUOYRWSTXBG-CQSZACIVSA-N 430.526 4.481 5 20 IIBD Cc1ccc([C@@H](NC(=O)c2csc([N+](=O)[O-])c2)c2cccc(S(C)(=O)=O)c2)c(C)c1 460572039 FXHHZTGFVKAIAY-FQEVSTJZSA-N 444.534 4.196 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCN(c2c(Cl)cccc2Cl)CC1 466595887 HLLKSYGPJIJUGJ-UHFFFAOYSA-N 431.279 4.412 5 20 IIBD COC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1OC(C)C 466651023 KTSSAVOIQKKWQX-LBPRGKRZSA-N 436.848 4.228 5 20 IIBD Cc1nc2n(n1)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c1)CC2 466769278 ZSIRIYKRYDRUOL-HNNXBMFYSA-N 443.916 4.044 5 20 IIBD C[C@@H](CCc1ccccc1[N+](=O)[O-])NCCCNC(=O)c1cccc(Br)c1 468372704 JVZGFTIASRKXGC-HNNXBMFYSA-N 434.334 4.088 5 20 IIBD CCOc1ccc(Oc2cc(CNc3ccc([N+](=O)[O-])cc3S(C)(=O)=O)ccn2)cc1 468721003 YCNUWHPQERKAAO-UHFFFAOYSA-N 443.481 4.196 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC(c2cccc3ccccc23)CC1 469157682 ZCZHLVSLXZDOBB-NRFANRHFSA-N 435.528 4.387 5 20 IIBD COc1cc(S(=O)(=O)Nc2nc3ccccc3n2C2CCCCC2)ccc1[N+](=O)[O-] 469318467 VGSVPCPVXPUUTM-UHFFFAOYSA-N 430.486 4.259 5 20 IIBD CCOC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1cccc(C)c1C 472120513 REOIZUSEOBKPQD-QGZVFWFLSA-N 435.274 4.008 5 20 IIBD CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)cc1 473791694 ZDBNHPUBLDAGLC-INIZCTEOSA-N 428.489 4.081 5 20 IIBD CC[C@H](NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)[C@@H]1CN(Cc2ccccc2)CCO1 473816850 IPYMVMSAOYRSRC-FPOVZHCZSA-N 426.517 4.013 5 20 IIBD Cc1nc2ccccc2n1C1CCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 477396366 ZGANFEQGZOOGSL-UHFFFAOYSA-N 444.495 4.131 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H](OC)c1ccccc1Cl 479778619 BLAWCZPMHHIBNW-YJYMSZOUSA-N 438.933 4.493 5 20 IIBD CCn1c(S[C@H]2CCN(c3c(F)cccc3F)C2=O)nnc1-c1ccc([N+](=O)[O-])cc1 481349122 QMSQZQYBIABPEZ-INIZCTEOSA-N 445.451 4.049 5 20 IIBD CCc1cc(Sc2nnc(-c3cccnc3)n2CC)nc(-c2ccc([N+](=O)[O-])cc2)n1 481834309 CASYLGXBAQHXDA-UHFFFAOYSA-N 433.497 4.439 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1 481951363 QOAJQKUVYCEUKK-GDLZYMKVSA-N 444.534 4.320 5 20 IIBD CS(=O)(=O)c1ccc(OCCOc2ccc(Cc3ccccc3)cc2[N+](=O)[O-])cc1 481977535 XZUROCYSXHGXDS-UHFFFAOYSA-N 427.478 4.047 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 482246107 KBOOMQGCADWJAO-CYBMUJFWSA-N 425.432 4.101 5 20 IIBD CCCCCn1nc(C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1I 482604835 FBQQAKSEYNFPOI-UHFFFAOYSA-N 442.257 4.147 5 20 IIBD CC[C@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])Oc1ccccc1F 482760354 ZDKFHKIYZSAEKB-GFCCVEGCSA-N 430.354 4.262 5 20 IIBD Cc1ccccc1[C@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)C(C)C 483035029 BMNBJUWPRXSOQL-LJQANCHMSA-N 425.514 4.310 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@H]4[C@H](CCCN4Cc4ccccc4)C3)n2)c1 483513498 OTDURQCAKKMZAM-IRLDBZIGSA-N 433.512 4.131 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CCO[C@@H](COCC2CC2)C1 485559377 IIZHDQTZDIGNMU-LJQANCHMSA-N 434.558 4.145 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)c(C)c([N+](=O)[O-])c1 485981540 SPNGVMMRKJAEBW-UHFFFAOYSA-N 439.449 4.256 5 20 IIBD O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCCc1c[nH]c2ccc(Br)cc12 487010217 XFVFAKPFEIYHBD-UHFFFAOYSA-N 438.228 4.018 5 20 IIBD COc1cccc([C@@H](CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)N2CCCC2)c1 489912193 DXYNICOIXWKYEX-VGOFRKELSA-N 426.517 4.109 5 20 IIBD Cc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)c([N+](=O)[O-])c1 490444038 KXXXGNAYKZOHKS-SUMWQHHRSA-N 444.431 4.073 5 20 IIBD CCOc1cc(CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)ccc1[N+](=O)[O-] 492152224 NSGQAKJNGHZZCY-UHFFFAOYSA-N 447.469 4.362 5 20 IIBD C[C@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1nc(-c2cccc(F)c2)no1 494395246 XEGIFZHHBDOCFZ-ZDUSSCGKSA-N 425.420 4.219 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1CNc1ccc(C(=O)N(C)C2CCOCC2)cc1 495080068 BMNFSQVIZMTTNN-UHFFFAOYSA-N 427.501 4.245 5 20 IIBD O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCO[C@@H](c2cccc(Br)c2)C1 500251615 CWGVIPOXQICXOQ-LJQANCHMSA-N 446.301 4.145 5 20 IIBD CC(C)(COc1ncccc1C(F)(F)F)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 502341592 USRQYAHKJIWQGJ-UHFFFAOYSA-N 446.813 4.048 5 20 IIBD CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1C 503755582 HKXGVEMGYJPOQZ-UHFFFAOYSA-N 439.299 4.380 5 20 IIBD COc1cc(CCNC(=O)N2CCC[C@H]2/C=C\c2ccccc2)c([N+](=O)[O-])cc1OC 508054655 TUBCROGKFFLPEG-GDWUOILNSA-N 425.485 4.042 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)c1ccc(F)cc1 509119531 BDHPDNSDGZOPKO-NSHDSACASA-N 442.228 4.480 5 20 IIBD Cc1c(Br)cc(C(=O)N2C[C@H](n3cccn3)Cc3ccccc32)cc1[N+](=O)[O-] 510374274 HTFOUJPLIPREFQ-MRXNPFEDSA-N 441.285 4.306 5 20 IIBD Cc1c(NC(=O)[C@H](C)N(C)Cc2ccc(OCC(F)(F)F)cc2)cccc1[N+](=O)[O-] 511139177 HEHNXZUOHLCERL-AWEZNQCLSA-N 425.407 4.303 5 20 IIBD Cc1ccccc1NC(=O)Cc1noc(-c2cc(Br)c(C)c([N+](=O)[O-])c2)n1 512323302 PFBWXGZFMMJAGN-UHFFFAOYSA-N 431.246 4.205 5 20 IIBD CC[C@H](C)NS(=O)(=O)c1cccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 512611923 CCMNEUCFEYBQIU-AWEZNQCLSA-N 446.554 4.407 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Cn1c(COc2ccccc2)nc2ccccc21 512966066 FWORCWJCKQIDGX-UHFFFAOYSA-N 444.491 4.225 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)nn2-c2ccc(Cl)cc2)cc1OC 515029185 DHVNELSDOVYQLU-UHFFFAOYSA-N 430.848 4.402 5 20 IIBD COc1cc(C(=O)NCc2ccc([C@H]3C[C@H]3C)o2)c([N+](=O)[O-])cc1OCc1cscn1 516231299 SMKWQLVHSJXHLA-DOMZBBRYSA-N 443.481 4.285 5 20 IIBD Cc1cc(=N[C@H](c2ccc(Cl)cc2)c2ccn(C)n2)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 517002895 CDJSAPVTJGRSQJ-OAQYLSRUSA-N 434.887 4.371 5 20 IIBD O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]1c1ccc(Br)cc1 517578890 BQRNDSUKBQELSB-IAGOWNOFSA-N 427.258 4.285 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H](NCCOCC1CC1)c1ccccc1 518148399 UJGGVXYRBYHORV-LJQANCHMSA-N 448.317 4.053 5 20 IIBD CNC(=O)c1cccc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1C 518466816 IYWQCPSBKFDQCR-OAHLLOKOSA-N 433.468 4.083 5 20 IIBD COc1cc(OCC(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)ccc1[N+](=O)[O-] 519023900 OFQXODCAQAMVPX-UHFFFAOYSA-N 439.399 4.012 5 20 IIBD C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 520421085 BUVBAAOWLWNDMY-INMHGKMJSA-N 442.482 4.279 5 20 IIBD O=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 520698275 SUASPSZEWZALOF-MSOLQXFVSA-N 442.365 4.325 5 20 IIBD O=C(CN1CCOc2ccc([N+](=O)[O-])cc2C1)Nc1cc(C(F)(F)F)ccc1Cl 521120666 FAUHSPOCWDISEM-UHFFFAOYSA-N 429.782 4.100 5 20 IIBD CC(C)CCSc1ccc(C(=O)NCc2n[nH]cc2Br)cc1[N+](=O)[O-] 521859206 LFELQSSIQZMDDU-UHFFFAOYSA-N 427.324 4.149 5 20 IIBD O=C(Nc1ccc(-c2nc3c(F)cccc3[nH]2)cc1)c1cc([N+](=O)[O-])cc2c1OCCO2 522102916 JDUQFPMBYCQVDZ-UHFFFAOYSA-N 434.383 4.301 5 20 IIBD CCOC(=O)c1ccnc(NCc2cccc(NC(=O)c3ccc(C)cc3)c2)c1[N+](=O)[O-] 523112543 NGZUCBDEQMVHSR-UHFFFAOYSA-N 434.452 4.339 5 20 IIBD CC(C)OCc1ccccc1CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl 523298111 MOUJQKJNHMRQIG-UHFFFAOYSA-N 428.876 4.331 5 20 IIBD O=c1c(Cl)c(NCc2ccccc2CN2CCCC2)cnn1-c1ccc([N+](=O)[O-])cc1 523298850 JZXXHZZHNCZXDQ-UHFFFAOYSA-N 439.903 4.002 5 20 IIBD COc1ccc([C@@H](NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)c2ccc(F)cc2)cc1 525023482 QLQJKEIAXHNXON-NRFANRHFSA-N 440.427 4.279 5 20 IIBD COCCN(C(=O)c1ccc(C)cc1OC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 526086655 UTEBQJLFUXPFMM-UHFFFAOYSA-N 427.482 4.329 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3ccc(N4CCN(c5ccc(F)cc5)CC4)nc3)no2)cc1 530660706 DBEPECMHOSMHTN-UHFFFAOYSA-N 446.442 4.173 5 20 IIBD COC(=O)[C@H](NCc1cc([N+](=O)[O-])ccc1OC(C)C)c1ccc(Br)cc1 533054774 QFLPZIKUJYUQDN-GOSISDBHSA-N 437.290 4.148 5 20 IIBD CS(=O)(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1C(F)F 537309492 IEHPCLMQCRIVGN-UHFFFAOYSA-N 438.330 4.207 5 20 IIBD CC[C@H]1CC[C@H](C)N1C(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 539017627 AZXCQUKARKMULR-YJBOKZPZSA-N 431.514 4.107 5 20 IIBD CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O 539834270 PNWMSPDDTAVKOH-MJGOQNOKSA-N 426.922 4.296 5 20 IIBD CCNC(=O)N1CCc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)cc21 540454059 AHERJXGTBRMMPS-UHFFFAOYSA-N 428.514 4.440 5 20 IIBD CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)CCOc1cc(C)ccc1[N+](=O)[O-] 540626070 AMLFHDXORKUBAI-OAQYLSRUSA-N 425.529 4.043 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCC[C@@H]2CCO[C@@H](C)C2)c([N+](=O)[O-])c1 541352408 XGBXYMMDQPJDKL-JKSUJKDBSA-N 426.469 4.230 5 20 IIBD NC(=O)c1ccc(CNC2(c3noc(C4CCCCC4)n3)CCCCCC2)c([N+](=O)[O-])c1 541696201 DCQQVMSFOVESBE-UHFFFAOYSA-N 441.532 4.464 5 20 IIBD COc1ccc(NC(=O)c2ccccc2OCc2cn3cccc(C)c3n2)cc1[N+](=O)[O-] 542000474 MSQFRYAYRVDAFA-UHFFFAOYSA-N 432.436 4.391 5 20 IIBD CN(C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 542559603 FDKNRIDLGRQALW-CTNGQTDRSA-N 438.459 4.127 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2O)c(C(F)(F)F)c1 542737280 GSFWEJBCQZWQGH-UHFFFAOYSA-N 431.175 4.427 5 20 IIBD CC(C)O[C@@H]1C[C@@H](NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1(C)C 545213433 VNWGSWJYEFZQAK-IPHXSNPTSA-N 426.517 4.485 5 20 IIBD COc1ccc(CN2CC[C@]3(CCCN(C)C3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 552357497 CAIISEGILLYXBJ-DEOSSOPVSA-N 425.529 4.100 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCC2(c3ccccn3)CCC2)cc1[N+](=O)[O-])c1ccccn1 552376455 LCVNJQSGYRFYHU-KRWDZBQOSA-N 431.496 4.410 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)n(C)n1)c1ncnc2sc([N+](=O)[O-])cc12 553315931 BGLBHZDEFNOXPS-UHFFFAOYSA-N 426.477 4.208 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC1(Cc2ccccc2Br)CC1 553787207 XDWLVLQAKFLSHT-UHFFFAOYSA-N 428.286 4.273 5 20 IIBD CC(C)(NC(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1ccccc1[N+](=O)[O-] 554052817 VLCXNBQDXRHPIJ-UHFFFAOYSA-N 443.554 4.393 5 20 IIBD CC(C)(NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)c1ccccc1[N+](=O)[O-] 554052980 WQCHGLWLWUMLRK-UHFFFAOYSA-N 426.423 4.213 5 20 IIBD CC1(C)CN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)[C@@H]1[C@@H]1CCCO1 555110548 NYCWAZPYOKNNKI-DOTOQJQBSA-N 439.299 4.117 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)N(C)C)c(Cl)c1 559492045 UXOLQKDZWIDNTM-UHFFFAOYSA-N 440.681 4.273 5 20 IIBD COc1cc(Cc2noc(-c3cccc(C(F)(F)F)c3F)n2)c([N+](=O)[O-])c(OC)c1 565343823 JIINVWUTXCPPJH-UHFFFAOYSA-N 427.310 4.411 5 20 IIBD CC[C@@H](C)c1ccc(N(CCc2cnn(C)c2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 565925522 ZQRVPXCONVINCY-QGZVFWFLSA-N 442.541 4.280 5 20 IIBD O=C(Nc1cccc(OC2CCCC2)c1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 566693357 COMNQTVKNYUHGN-UHFFFAOYSA-N 448.273 4.256 5 20 IIBD COC[C@@]1(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])OCCc2ccccc21 575794409 DKRTWCBHDHXTKE-QGZVFWFLSA-N 447.360 4.170 5 20 IIBD COc1cc(C(=O)NC[C@@H]2CCOC[C@H]2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 579505467 GZKKCLIIYZRWIB-HIFRSBDPSA-N 434.876 4.452 5 20 IIBD O=C1CCCc2cc(C(=O)N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)ccc21 580845711 BUWCRYVMVAPREF-UHFFFAOYSA-N 447.413 4.095 5 20 IIBD O=C(Nc1cc(Cl)ccc1N1CCSCC1)N1CCOc2ccc([N+](=O)[O-])cc2C1 582574713 KUGLKGPJUDJDHP-UHFFFAOYSA-N 448.932 4.228 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 588177012 MGGDZAWLZLGMST-XPWALMASSA-N 436.556 4.079 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@H](NC(N)=O)c1cccc(Oc2ccccc2)c1 603569173 WVUUFEXNVDRPPU-NRFANRHFSA-N 448.479 4.145 5 20 IIBD CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCc1cc(-c2cccs2)on1 603726029 PCZWLNLRUWPXPW-UHFFFAOYSA-N 440.437 4.253 5 20 IIBD CCOc1cc(C(=O)N[C@@H](C(=O)Nc2ccccc2)c2ccccc2)c([N+](=O)[O-])cc1OC 603761326 FRLPEMQYGPOXRX-JOCHJYFZSA-N 449.463 4.112 5 20 IIBD CCCC(=O)Nc1cccc(CNC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c1 603773346 HTBOYEPFKQGQBH-UHFFFAOYSA-N 449.511 4.125 5 20 IIBD CCC(=O)N1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CC1 604012534 NGTIUBFKKQLSSD-UHFFFAOYSA-N 447.944 4.484 5 20 IIBD CCOc1cc(NC(=O)N[C@H](CC)c2ccc3c(c2)OCCO3)c([N+](=O)[O-])cc1OCC 604083766 XHAQGPDAYJLIDY-OAHLLOKOSA-N 445.472 4.436 5 20 IIBD C[C@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1ccc(Br)cc1 604472672 JNBWVQLQGCTUNS-LBPRGKRZSA-N 429.274 4.495 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 604520732 IRQXCXQZIUFYBD-FDDCHVKYSA-N 427.501 4.032 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1 608809392 FIAXOWNVFDKNGE-UHFFFAOYSA-N 442.449 4.052 5 20 IIBD COc1ccc(C[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])c2ccccc2)cc1OC 608949019 PESNJHCJXJREOJ-IBGZPJMESA-N 436.464 4.091 5 20 IIBD COc1ccc(-c2nsc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 609127599 LCGQFPLUKLAFOH-SNVBAGLBSA-N 434.861 4.181 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCCC1 609182518 RXXHMTVMCZCLCG-VLIAUNLRSA-N 429.904 4.414 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3nc(C4CCCCC4)no3)cc2)c1 609474734 JVGLWLSQXWVYCB-UHFFFAOYSA-N 428.470 4.493 5 20 IIBD Cc1ccc(NC(=O)CN(C)C(=O)CNc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 609766032 QMHQQCAQVWCXAU-UHFFFAOYSA-N 448.479 4.205 5 20 IIBD COc1cc(CNCc2cccc(-n3cncn3)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 609804993 IHECYNAOURXRLR-UHFFFAOYSA-N 445.479 4.053 5 20 IIBD C[C@H]1C[C@H](N(C)C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 609978061 WDUOWJSEATZRPZ-PGRDOPGGSA-N 447.539 4.120 5 20 IIBD Cc1ccc(NCCCNC(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 610090288 YDJNMXPKDHJJIO-DENIHFKCSA-N 426.517 4.172 5 20 IIBD COCCN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(OC)c(OC)c1 610189096 OJYPQCIOPDYAMR-UHFFFAOYSA-N 443.481 4.029 5 20 IIBD CCN(C(=O)COc1ccc(Br)cc1[N+](=O)[O-])[C@@H](C)c1ccc(F)cc1 610219673 ZIHVSSGHAQNVQY-LBPRGKRZSA-N 425.254 4.485 5 20 IIBD Cc1cccc2c1CCCN2S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 610335800 YVBLHKWLPOTZAX-UHFFFAOYSA-N 425.304 4.116 5 20 IIBD C[S@](=O)c1ccc(CNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 610632732 PVPNNJFWXVNLOP-PMERELPUSA-N 425.466 4.446 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 610900182 FHDSBYWTPAUKHI-NXEZZACHSA-N 435.118 4.170 5 20 IIBD C[C@H](C(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1)c1cccc([N+](=O)[O-])c1 617766043 DYAHOPFWRQEHFP-SGTLLEGYSA-N 437.265 4.200 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 726026486 WNXLZMZQKCORGB-UHFFFAOYSA-N 432.517 4.292 5 20 IIBD Cc1ccc2c(CC(=O)N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)c[nH]c2c1 726136864 WAKRNMMIGSKGHT-UHFFFAOYSA-N 446.429 4.295 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1 726528741 DJUYTJBTZBZNQP-WCIBSUBMSA-N 428.876 4.028 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(CN2CCc3ccccc32)cc1 726927966 XIARPFPJXCXYPO-UHFFFAOYSA-N 427.464 4.146 5 20 IIBD CCCc1ccc(-c2cc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n(CCO)n2)cc1 727312494 AGSOFPRYTMJAGB-UHFFFAOYSA-N 428.876 4.309 5 20 IIBD COc1ccc(NC(=O)COC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 727928772 KOJRWUFVALLVHQ-QWHCGFSZSA-N 439.251 4.196 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(OCc2sc3ccccc3c2Cl)c([N+](=O)[O-])c1 728442258 LXSILODKNIYVCU-UHFFFAOYSA-N 442.858 4.354 5 20 IIBD O=[N+]([O-])c1cc(NS(=O)(=O)c2cc(Br)c(F)cc2F)ccc1Cl 728501855 SRUWTFLGELHXAR-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2c(Cl)cccc2Cl)cc1SC 728658762 XGWZZOACZLCHLC-UHFFFAOYSA-N 445.280 4.428 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NCC1(Sc2ccccc2)CCCC1 731654493 XXUZKDSFILNIRS-UHFFFAOYSA-N 444.509 4.016 5 20 IIBD O=C(c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC(n2cncn2)C1 732759494 QWVJFBINQDHNND-UHFFFAOYSA-N 449.414 4.053 5 20 IIBD CC(C)(C)OC(=O)N1CCc2c(cccc2NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 734109006 LSTMLGMSDXKIEJ-UHFFFAOYSA-N 440.500 4.329 5 20 IIBD COc1ccc(COC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c(OC(F)F)c1 734325843 VYFWAJISIZDTNI-UHFFFAOYSA-N 432.173 4.324 5 20 IIBD C[C@@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc2cc(Br)cnc2[nH]1 735218813 UEBLUOWREMEGNJ-SSDOTTSWSA-N 425.626 4.200 5 20 IIBD C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 738806363 FNRXKXFZFQOCGV-ACJLOTCBSA-N 436.386 4.141 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1C(=O)NCC1CC1 740844726 RWPADBUUYYYCSS-UHFFFAOYSA-N 430.892 4.219 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NC[C@](C)(O)c3ccsc3)cc2[N+](=O)[O-])n1 740937928 GKAOTEQZJFTSJW-SFHVURJKSA-N 435.552 4.210 5 20 IIBD Cc1cccc2c(CC(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)c[nH]c12 741352327 JGXKHKCCIFIGLN-UHFFFAOYSA-N 435.358 4.128 5 20 IIBD COC(=O)c1cc(Cl)cc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 743262800 WQMSLZCGNANWRP-UHFFFAOYSA-N 439.660 4.142 5 20 IIBD O=c1c2cnn(-c3cccc(C(F)(F)F)c3)c2ncn1Cc1cc(Cl)ccc1[N+](=O)[O-] 746388681 GTEXUTHSDDWKGR-UHFFFAOYSA-N 449.776 4.211 5 20 IIBD COC(=O)c1sc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)nc1C(C)(C)C 746581191 NOYLANAAKLHAIQ-UHFFFAOYSA-N 442.291 4.150 5 20 IIBD Cc1ccc(C(C)C)c(OCc2nnc(SCc3ccc([N+](=O)[O-])cc3F)n2N)c1 747804017 DZRMLUFSOAWHML-UHFFFAOYSA-N 431.493 4.342 5 20 IIBD CCc1ccc([C@@H](C)NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1 748952469 VPRBVIBMEIXKQF-CABCVRRESA-N 443.456 4.105 5 20 IIBD CCC[C@H](NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)c1ccccc1 748953020 ZSXIHSOPNCCXDX-YJBOKZPZSA-N 443.456 4.323 5 20 IIBD CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2cccc(-c3ccccn3)c2)NC(=S)N1 749113487 OYMSJPNFKWKNNT-NRFANRHFSA-N 445.504 4.088 5 20 IIBD CN1CCN(c2ccc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])c(C(F)(F)F)c2)CC1 750184224 GWXGXOJTQXUOHQ-UHFFFAOYSA-N 442.825 4.271 5 20 IIBD C[C@@H](NC(=O)c1ccccc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1 750579818 YCWFBIFNNGMXTJ-CQSZACIVSA-N 429.436 4.214 5 20 IIBD O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)c1ccc(Br)cc1[N+](=O)[O-] 750825817 LDUXVVKNJQCFGX-UHFFFAOYSA-N 426.217 4.488 5 20 IIBD CNC(=O)Nc1cccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)c1 750829322 ONOFITVBJHTDTD-UHFFFAOYSA-N 427.642 4.014 5 20 IIBD CNc1ccc(C(=O)N2CCCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 751415334 ZLNKMRPGCWERRK-ROUUACIJSA-N 432.521 4.031 5 20 IIBD COc1ccc2nc(C3CC3)cc(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)c2c1 751821663 KUBODTAYYGOTCP-UHFFFAOYSA-N 436.420 4.253 5 20 IIBD COc1cc(-c2nnc(COc3cc(F)c(Cl)cc3[N+](=O)[O-])o2)cc(OC)c1OC 752908494 KUFVREIQALKJEI-UHFFFAOYSA-N 439.783 4.042 5 20 IIBD CO[C@@H]1C[C@H](NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1(C)C 753314183 QLGNXAHUVXLRLF-ZWKOTPCHSA-N 431.876 4.044 5 20 IIBD Cc1cc(F)c(C(=O)COC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1F 754067561 QZCSMLMBRJZFCU-UHFFFAOYSA-N 443.406 4.083 5 20 IIBD O=C(NC[C@H](O)c1ccc2ccccc2c1)Nc1ccc(Br)c([N+](=O)[O-])c1 755025500 OTLVHZYNVRTVEW-SFHVURJKSA-N 430.258 4.366 5 20 IIBD COc1cc(Br)c(COC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1OC 756766948 DZWJHVBXAXSIQF-UHFFFAOYSA-N 435.230 4.213 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1ccc(N2CCc3sccc3C2)cc1 759486236 HGWTUXQBZRXDNE-UHFFFAOYSA-N 429.523 4.161 5 20 IIBD O=C(NN1CCCC1=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 762644658 AKTLCDHWWQCREA-UHFFFAOYSA-N 425.388 4.032 5 20 IIBD CCCn1c(C)nnc1COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 763609734 DXQKVWFWNCGPGQ-UHFFFAOYSA-N 442.859 4.146 5 20 IIBD CCO[C@H]1C[C@@H](N(C)Cn2nc(-c3ccc([N+](=O)[O-])cc3)n(CC)c2=S)C12CCC2 765076637 ILKWFCRQJMCGBY-MSOLQXFVSA-N 431.562 4.246 5 20 IIBD CC[C@@H]1CCCC[C@@H]1OCC(=O)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C 766346495 JXXMBOKFKHFHLT-APWZRJJASA-N 430.505 4.367 5 20 IIBD COc1ccc(-c2ccc(CN3CC[C@@H](CNC(=O)OC(C)(C)C)C3)o2)c([N+](=O)[O-])c1 769196820 ZVINOICMNZTQRO-HNNXBMFYSA-N 431.489 4.210 5 20 IIBD O=C(COCc1nc2ccccc2s1)OCc1ccc(Br)c([N+](=O)[O-])c1 773380933 OODBMWBLVLJDFW-UHFFFAOYSA-N 437.271 4.227 5 20 IIBD Cc1cc(C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)c2cnn(Cc3cccs3)c2n1 773987494 HPARGEDHGWGNKI-UHFFFAOYSA-N 433.493 4.269 5 20 IIBD C[C@@H](NCC(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1)c1cccc([N+](=O)[O-])c1 775191312 GHVHEPUDADEGRP-QZTJIDSGSA-N 446.507 4.375 5 20 IIBD O=C(NC[C@@H]1CCCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1)Nc1cccc(F)c1 775432792 NGRAWYKSQXFYBC-ZDUSSCGKSA-N 449.870 4.453 5 20 IIBD COc1ccc(SC)c(OC)c1C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 775958146 HOPXRHTXQDHTRD-UHFFFAOYSA-N 430.438 4.346 5 20 IIBD C[C@@H](OC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1cc2ccccc2o1 778171964 RBMNBYDAQCLRIE-CHWSQXEVSA-N 432.379 4.242 5 20 IIBD O=C(Nc1ccccc1C(=O)NCC[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1Cl 781050943 IPHPVJGBBLOOHW-OAHLLOKOSA-N 431.876 4.190 5 20 IIBD O=C(OCc1nc(CCc2ccccc2)no1)c1ccc2[nH]c3ccccc3c(=O)c2c1 781259463 KRONMQFKGAIYLU-UHFFFAOYSA-N 425.444 4.207 5 20 IIBD C[C@@H]1CCc2c(sc3nc(CCC(=O)OCc4ccc([N+](=O)[O-])c(F)c4)nc(O)c23)C1 782501773 ILSZNQATSYAUTA-LLVKDONJSA-N 445.472 4.245 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)cc1[N+](=O)[O-] 785396245 HBUYQPRXTYECPD-SSDOTTSWSA-N 429.829 4.071 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1cccs1 787248071 PWMHHPVKRPEFJC-OAHLLOKOSA-N 440.477 4.270 5 20 IIBD COc1ccc(CCC(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)cc1F 790124191 OZKMGKHLHKPIGM-UHFFFAOYSA-N 442.447 4.162 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ccnc(F)c2F)cc1)c1cc([N+](=O)[O-])ccc1Cl 791457016 LXEGKNRKKKQFDS-UHFFFAOYSA-N 433.754 4.393 5 20 IIBD CCOc1c(Cl)cccc1CC(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 791506604 UBNOILOHEQATHV-LLVKDONJSA-N 441.267 4.413 5 20 IIBD Cc1sc(NC(=O)COC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c(C)c1C 792476327 UHBRUNMODTVTIJ-UHFFFAOYSA-N 441.303 4.448 5 20 IIBD Cc1ccc(NC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])cc1-c1ncco1 797319856 QTCCTRRDPZJBCP-UHFFFAOYSA-N 445.273 4.396 5 20 IIBD CN(C(=O)c1ccc(I)c([N+](=O)[O-])c1)c1ccc(Cl)cc1F 798218333 BKKLXDOJJXJALH-UHFFFAOYSA-N 434.592 4.269 5 20 IIBD CCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 801880698 WKCPGTIHFVQBNP-OAQYLSRUSA-N 426.423 4.410 5 20 IIBD Cc1cc(Br)c(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Cl 805600387 NHGMTROUWYKPIJ-UHFFFAOYSA-N 441.665 4.423 5 20 IIBD COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Oc1ccc(Cl)c([N+](=O)[O-])c1 808350323 NPODHCUICKPKCB-UHFFFAOYSA-N 440.644 4.109 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1cc(F)c(Cl)cc1N1CCOCC1 809361329 BITLHRPLUJGCRK-UHFFFAOYSA-N 446.237 4.198 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(Cc3sc(SC(F)F)nc3C)n2)c1 809476116 GSLFPEZHERIPJP-UHFFFAOYSA-N 428.442 4.248 5 20 IIBD O=[N+]([O-])c1ccc(N2CCCCC2)c(-c2nc(-c3ccc(OCC(F)F)cn3)no2)c1 809495294 QWVYDEYDIAZGJO-UHFFFAOYSA-N 431.399 4.341 5 20 IIBD CCCC(=O)Nc1cccc(CNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)c1 809808862 LTPONXKNZNPRMU-UHFFFAOYSA-N 446.312 4.119 5 20 IIBD COc1ccc(NC(=O)N2CCC([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1[N+](=O)[O-] 810203819 SJSDKWOVQKKLKO-MRXNPFEDSA-N 448.520 4.104 5 20 IIBD C[C@@H]1CCCN(c2cc(C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)ccn2)C1 812650954 DMYOVZXWLQSGOM-ZIAGYGMSSA-N 446.891 4.064 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1cc(I)c(F)cc1F 813242993 ZGZYBKLGEUPGSV-UHFFFAOYSA-N 438.555 4.383 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O 815235360 TUQABLUQKLKFLC-QLVMHMETSA-N 428.460 4.208 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1cc([N+](=O)[O-])ccc1Cl 864245028 ZWJZYJVYBNUGPG-UHFFFAOYSA-N 445.819 4.257 5 20 IIBD COc1ccc(CN(C)C(=O)[C@H](OC(=O)c2cc([N+](=O)[O-])ccc2Cl)C(C)C)cc1 877043175 HHZBKKDWGWRANC-LJQANCHMSA-N 434.876 4.097 5 20 IIBD NC(=O)c1ccc(SCC(=O)Nc2ccccc2SC(F)(F)F)c([N+](=O)[O-])c1 915655294 ICMXCUGLZRZKNX-UHFFFAOYSA-N 431.417 4.036 5 20 IIBD CCCC1=C(C(=O)OC)[C@H](c2cc([N+](=O)[O-])c(F)cc2F)NC(=O)N1Cc1ccccc1 916723675 OFPSTVJPLVQIDO-FQEVSTJZSA-N 445.422 4.367 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1cccc(C(=O)NCc2ccco2)c1 917959936 DVDGQQUBDVWKPM-OAHLLOKOSA-N 440.477 4.342 5 20 IIBD C[C@H](NC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc([N+](=O)[O-])c1 918631445 QXEYLFJLXHGKKJ-INIZCTEOSA-N 445.475 4.311 5 20 IIBD COCCOc1ccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1Cl 918663669 WSMCJFOHUPHKAL-UHFFFAOYSA-N 429.654 4.288 5 20 IIBD C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 918974625 AFFYRZBPCOMOHO-HNNXBMFYSA-N 445.903 4.225 5 20 IIBD Cc1c(COC(=O)CCc2nc(O)c3c4c(sc3n2)C[C@@H](C)CC4)cccc1[N+](=O)[O-] 918996139 ZWJVHKJAUOWFDM-LBPRGKRZSA-N 441.509 4.414 5 20 IIBD Cc1ccc(Cl)c(O[C@H](C)C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 919449804 UTYIRDWGDRWMGC-LLVKDONJSA-N 427.240 4.159 5 20 IIBD CC(C)(C(=O)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 920148841 ZQBFZYYZHLRUSY-UHFFFAOYSA-N 425.268 4.152 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc([N+](=O)[O-])c1 920899207 AVEYTBFGMCHHOP-JTQLQIEISA-N 441.318 4.014 5 20 IIBD CCCCc1ccc(N2C[C@H](c3nnc(COc4ccccc4[N+](=O)[O-])o3)CC2=O)cc1 1117214837 NVZBZWWFLSSJFE-QGZVFWFLSA-N 436.468 4.420 5 20 IIBD COc1ccc([C@H](O)C2CCN(Cc3ccc([N+](=O)[O-])cc3Br)CC2)cc1 1117661298 KJFHZMGTUSZFEN-FQEVSTJZSA-N 435.318 4.312 5 20 IIBD Cc1csc(=O)n1CCC(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1OCc1ccccc1 1317756818 NJNBWOSAKPAUIX-UHFFFAOYSA-N 447.900 4.388 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cccc(I)c2C)c1 1322555189 LFLWUWVCPZHHJW-UHFFFAOYSA-N 440.237 4.224 5 20 IIBD O=C(c1csc(-c2ccco2)n1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 1323414371 VBUPNHBHUCJYOO-UHFFFAOYSA-N 434.271 4.272 5 20 IIBD C[C@H](Oc1cccc(Br)c1)c1nnc(-c2cc3c(cc2[N+](=O)[O-])OCO3)o1 1326149105 BRPAJRSAZXIQQL-VIFPVBQESA-N 434.202 4.276 5 20 IIBD C[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C2)c1ccccc1 1801752278 JWKBVLQKDBWABH-KANFNMMFSA-N 439.487 4.180 5 20 IIBD C[C@@H]1CCC[C@H]1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)n[nH]1 1821166510 XKEWFSQQBRXERN-OMWUSAIZSA-N 443.479 4.199 5 20 IIBD C[C@H]1CC[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)[nH]n2)CC1 1822940629 YZXWPMPQEVMGCD-IIAWOOMASA-N 429.477 4.043 5 20 IIBD CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)CCCC1 1823677058 OTYOHTAIBYODFN-QFIPXVFZSA-N 441.572 4.337 5 20 IIBD Cc1ccc(F)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823891777 YFGMSJZXBGTIDJ-LJQANCHMSA-N 443.475 4.182 5 20 IIBD C/C=C/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1831360891 QGHJFTLBQOVOSL-PFPFLHIISA-N 439.556 4.279 5 20 IIBD O=[N+]([O-])c1cc2c(c(CSc3nnc4c(Cl)cc(C(F)(F)F)cn34)c1)OCOC2 3417452 YJPHXHCIXXBPIQ-UHFFFAOYSA-N 446.794 4.469 5 20 IIBD Cc1cc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)ccc1[N+](=O)[O-] 15744195 FHYAVDQVDVYIQO-UHFFFAOYSA-N 447.419 4.235 5 20 IIBD Cc1nc(-c2ccccc2)c(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])s1 18765130 NQRKVAFDJQOINK-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)cc1OC 18803323 KVBKDNRHUCVNRW-LBPRGKRZSA-N 436.848 4.148 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 20856693 ZBHRIUWTFIHHMQ-ZDUSSCGKSA-N 437.452 4.005 5 20 IIBD COc1cc(Cn2cnc3c(Cl)cc(Cl)cc3c2=O)c([N+](=O)[O-])cc1OC(F)F 24887774 DSMBGMHJJNLLNG-UHFFFAOYSA-N 446.193 4.270 5 20 IIBD O=C(COc1cccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1)Nc1ccccc1 59777964 OHQIQWGGACNMME-UHFFFAOYSA-N 437.477 4.343 5 20 IIBD CN(C(=O)c1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1)C1CCCCC1 59851814 WYHSAHRNASVRQJ-UHFFFAOYSA-N 439.468 4.023 5 20 IIBD CCOC(=O)c1c(NC(=O)Cn2c([N+](=O)[O-])cnc2C)sc(Cl)c1-c1ccccc1 64332057 XSZCYJAOEMKWQC-UHFFFAOYSA-N 448.888 4.297 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 64420845 PFTGICQLKGUYMY-CHWSQXEVSA-N 446.891 4.177 5 20 IIBD Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NCCc1ccc([N+](=O)[O-])cc1 65123884 IBYPKTDNVPVPGM-UHFFFAOYSA-N 427.457 4.329 5 20 IIBD O=C(NC[C@@H]1CC2c3ccccc3C1c1ccccc12)c1cc2c(cc1[N+](=O)[O-])OCCO2 69728330 HMXNPVSDOXSXKZ-XRHVDXNJSA-N 442.471 4.393 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(F)c(C(F)(F)F)c2)ccc1[N+](=O)[O-] 72080461 JVYILVFRTIPUGZ-QGZVFWFLSA-N 439.365 4.304 5 20 IIBD COCCOc1ccc(F)cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 72090762 BNNLIBQDIRCPSX-UHFFFAOYSA-N 431.464 4.248 5 20 IIBD COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1[N+](=O)[O-] 110855046 FOYUEQOJAQCJRO-OAHLLOKOSA-N 430.404 4.148 5 20 IIBD CNS(=O)(=O)c1cccc([C@@H](C)NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1 237398692 DZFFDDYPLCXKAK-CQSZACIVSA-N 431.539 4.082 5 20 IIBD O=C1[C@@H](NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCN1CC(F)(F)F 237868362 SIFQGBZRSYZKTQ-AWEZNQCLSA-N 443.809 4.293 5 20 IIBD Cc1cccc(NC(=O)CN(C)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c1C 301118134 ZDOCUGHPNPDHGU-UHFFFAOYSA-N 426.351 4.214 5 20 IIBD COCc1cc([N+](=O)[O-])ccc1N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 301460065 YQSWJCOEDGGSJU-UHFFFAOYSA-N 448.317 4.359 5 20 IIBD CS(=O)(=O)c1cccc(NCc2cccc(NC(=O)c3ccc(F)cc3)c2)c1[N+](=O)[O-] 301891915 OIMWZJKOESNBMO-UHFFFAOYSA-N 443.456 4.002 5 20 IIBD O=c1c(Cl)c(N[C@H]2CCCOc3cc(F)ccc32)cnn1-c1ccc([N+](=O)[O-])cc1 302070967 VTIDIEXNTDRICP-INIZCTEOSA-N 430.823 4.259 5 20 IIBD COc1cc(CCNC(=O)N2CC3(CCCC3)c3c(F)cccc32)c([N+](=O)[O-])cc1OC 409456312 FTJHAXSGHFOXRM-UHFFFAOYSA-N 443.475 4.335 5 20 IIBD CCN(Cc1cc(Br)ccc1F)C(=O)NCc1cc([N+](=O)[O-])ccc1OC 409528284 ORZCYRWMHWORBV-UHFFFAOYSA-N 440.269 4.237 5 20 IIBD COc1cc(C(=O)Nc2cc(CN3CCCC3)ccc2C)c([N+](=O)[O-])cc1OC(F)F 431114260 KWRLAOJWAWGCHS-UHFFFAOYSA-N 435.427 4.361 5 20 IIBD Cc1c(NC(=O)c2cccc(CN3CCCC3=O)c2)cc(Br)cc1[N+](=O)[O-] 431250710 YJYKIZAWOOTMOU-UHFFFAOYSA-N 432.274 4.040 5 20 IIBD O=C(Nc1cc(O)c(Br)cc1Br)c1ccc([N+](=O)[O-])cc1F 431460269 QZFNPYDOKLXLIQ-UHFFFAOYSA-N 434.015 4.217 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 433694132 GEQXSCKQJOLERE-VGOFRKELSA-N 436.512 4.135 5 20 IIBD CS(=O)(=O)Cc1nc(CNc2cc([N+](=O)[O-])ccc2Sc2cccs2)cs1 434883093 LDIUDCVUWASXFF-UHFFFAOYSA-N 441.581 4.421 5 20 IIBD C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 437158783 AVVMSJQLBYTFES-GFCCVEGCSA-N 443.372 4.411 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCN(c2ccc3ccccc3n2)CC1 437658853 ZADCYQXTPNXPLT-UHFFFAOYSA-N 430.386 4.124 5 20 IIBD COC(=O)COc1ccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c2ccccc12 437765078 PUDCBGKVMZFJSL-UHFFFAOYSA-N 449.463 4.496 5 20 IIBD O=[N+]([O-])c1ccc(CN(c2ccccc2)S(=O)(=O)c2cncc(Br)c2)cc1 439224818 QBQPVOHONZHCRH-UHFFFAOYSA-N 448.298 4.148 5 20 IIBD CC1(C)CCc2ccccc2[C@@H](NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 441691712 RSXFYVNIXFOPJI-KRWDZBQOSA-N 429.904 4.198 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)Nc1ccc(Cl)cc1-c1ccccc1 443708438 NVAFONUUXUQLQC-UHFFFAOYSA-N 439.855 4.179 5 20 IIBD Cc1ccc(-c2n[nH]c(NC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)n2)cc1 444005001 NYOMDWPWHMOOEW-UHFFFAOYSA-N 431.402 4.305 5 20 IIBD C[C@@H]1CN(CCC2CCN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CC2)C[C@@H](C)O1 444165372 HXPDJTJFRGBGJB-RTBURBONSA-N 447.579 4.033 5 20 IIBD CN(C)c1cccc([C@H]2CCCN2CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1 444251992 REEPXTZEEJLMKD-LJQANCHMSA-N 447.333 4.199 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc([C@H](C)Oc3ccccc3Br)n2)c1 445580278 QJZAYXOOVBJPSR-NSHDSACASA-N 434.246 4.480 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(c1nnc(-c3ccccn3)n1CCc1ccccc1)CC2 460411946 KSFBSKTZIXMEEP-UHFFFAOYSA-N 426.480 4.054 5 20 IIBD Cn1cc(CN2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)c(C(F)F)n1 462959034 XNMGRNOEQFWCBP-UHFFFAOYSA-N 447.511 4.312 5 20 IIBD CC(C)(C(=O)Nc1ccc(Cc2nnc3n2CCCCC3)cc1)c1ccc([N+](=O)[O-])cc1 464096200 MYQOTQAYYURMMN-UHFFFAOYSA-N 433.512 4.420 5 20 IIBD COc1cccc(-c2noc([C@H](C)NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2)c1 466443504 HTNAAZJKWKSSNK-HNNXBMFYSA-N 439.472 4.335 5 20 IIBD CC(C)(C)[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 468561156 SSVSKDDGVKYKSD-IBGZPJMESA-N 445.903 4.388 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 471876878 ZMGKEODRAJYNKQ-QGZVFWFLSA-N 438.292 4.365 5 20 IIBD CCCOc1cc(NC(=O)c2ccc(-n3cncn3)c(C)c2)c([N+](=O)[O-])cc1OCCC 474245789 FBWGCQIXGNDXAM-UHFFFAOYSA-N 439.472 4.314 5 20 IIBD COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2OC)cc1NC(=O)c1cccc(F)c1 474898938 AAOIQICBVKAMKZ-UHFFFAOYSA-N 439.399 4.256 5 20 IIBD COC(=O)[C@@H]1CCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C[C@H]1C 475389504 IZRVKOUSKIZCCW-WIBUTAKZSA-N 445.903 4.059 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C2CC2)c(C)c1 478051818 FEPSZYSDQPEGEO-HXUWFJFHSA-N 427.526 4.271 5 20 IIBD CC[C@H](C)c1ccc([C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)c2cccs2)cc1 479469049 ONFZFCCXQVJPJA-OYHNWAKOSA-N 425.510 4.237 5 20 IIBD Cn1cc([C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c2ccc(F)cc2)cn1 479637550 PKLYLVTVCCNQOW-LJQANCHMSA-N 434.880 4.119 5 20 IIBD Cc1c(NC(=O)N2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)cccc1[N+](=O)[O-] 479821467 GEFHOFOLUJMOKO-OAHLLOKOSA-N 429.452 4.108 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1 481846614 NUAWUQFODDXTKT-UHFFFAOYSA-N 428.854 4.015 5 20 IIBD CC(C)[C@@H]1CC[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@@H](Cc2ccc(Cl)cc2)C1 482330630 DYPJQPDKMUNDEE-WSTZPKSXSA-N 445.947 4.210 5 20 IIBD CCc1c(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cnn1-c1cccc(Cl)c1 482720446 VARKGUZSBIWYFU-UHFFFAOYSA-N 436.859 4.434 5 20 IIBD Cc1nn(C)cc1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 484816702 DKZMHYUZXPTLLE-CYBMUJFWSA-N 427.892 4.393 5 20 IIBD COc1ccc(NC(=O)c2ccccc2NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 484835342 LGQRFTYOGLJZKY-UHFFFAOYSA-N 434.452 4.215 5 20 IIBD CC(C)(C)[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)c1nc(-c2nc[nH]n2)no1 485404156 IXMDSELXASNCHM-INIZCTEOSA-N 438.423 4.163 5 20 IIBD COc1ccccc1O[C@@H](C)CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 485718940 LDFJQVVNMMGNNF-KRWDZBQOSA-N 436.464 4.380 5 20 IIBD CCn1c([C@@H]2CCCN2C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)nc2ccccc21 486099641 YGKVTVORDFUFGS-NRFANRHFSA-N 430.468 4.127 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)c2ccc(F)cc2I)cc1[N+](=O)[O-] 488100970 ZOCQGJPNRPRADM-SNVBAGLBSA-N 428.201 4.138 5 20 IIBD Cc1ccoc1C(=O)NCCCNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 488221279 PGVZFADDAKUHFH-UHFFFAOYSA-N 439.493 4.197 5 20 IIBD O=C(Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1cc2c(c([N+](=O)[O-])c1)OCO2 489380146 OYHCDGUNOBYPOD-UHFFFAOYSA-N 435.364 4.301 5 20 IIBD CN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 489978453 GKBBLYMREREWBX-NRFANRHFSA-N 448.870 4.086 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 490586990 OEIGRBVBPVODPH-OAQYLSRUSA-N 429.904 4.065 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@@H]3CCC[C@H]3OCc3ccccc3)cc2)c(C)c1[N+](=O)[O-] 491188918 RVWJKFUZSYEBJG-DHIUTWEWSA-N 448.523 4.324 5 20 IIBD CCN(CC)CCNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 495758664 XCIDEXLLRGTOQY-UHFFFAOYSA-N 440.544 4.216 5 20 IIBD Cc1c(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cccc1C(=O)N1CCSCC1 499493169 VLXYTWKXISGNKB-HNNXBMFYSA-N 445.566 4.212 5 20 IIBD C[C@H]1CCC[C@@H](OCCCCCC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 499849850 ZIVKBBIJAAMOBN-SIKLNZKXSA-N 445.560 4.035 5 20 IIBD C[C@H](NC1(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CCOCC1)c1ccccc1 500453871 DTKBMQIVKYUMJN-ZWKOTPCHSA-N 443.569 4.092 5 20 IIBD CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 501694398 FYSXGUHKTWVGTQ-MRXNPFEDSA-N 425.514 4.384 5 20 IIBD Cc1cc(=O)c(C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)nn1-c1ccccc1[N+](=O)[O-] 502874061 CUYLTVMUIHBJJA-UHFFFAOYSA-N 447.278 4.028 5 20 IIBD Cc1cc(N(C)C)cc(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1I 505100414 DQSQQZNQJKELLW-UHFFFAOYSA-N 439.253 4.135 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc(OCCc3ccccc3)c2)cc1[N+](=O)[O-] 505623171 VRWKONVBKRURET-GOSISDBHSA-N 447.491 4.341 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(C(=O)c2cccc(C)c2)CC1 505742168 OSCCGERIFYQNHJ-UHFFFAOYSA-N 441.553 4.394 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1 505952536 ILQBCNGWCKUYLD-UHFFFAOYSA-N 445.273 4.421 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CN3CCC[C@H](c4nnc5n4CCCCC5)C3)cs2)c1 506631446 IZIKHQYCFAPWTI-KRWDZBQOSA-N 438.557 4.416 5 20 IIBD COc1cc(CN2CCC(c3nc(C)no3)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 509372021 LKKVJVWONVGGHM-UHFFFAOYSA-N 438.484 4.253 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)cc2[N+](=O)[O-])C1 512582883 PHYBEBZJFLTUOM-RBSFLKMASA-N 438.484 4.049 5 20 IIBD O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 513558361 BXEMVINUUWHVJD-UHFFFAOYSA-N 432.354 4.493 5 20 IIBD CC[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccccc1OCC(=O)N1CCCC1 522894336 ABLANMMQDRRZFP-LJQANCHMSA-N 445.903 4.131 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCN(Cc2cccs2)C1 524799873 VYHTVXVXYNKROF-LJQANCHMSA-N 430.574 4.190 5 20 IIBD COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CCc2c1cccc2[N+](=O)[O-] 525479318 WTNOKUPADQTIAQ-OAHLLOKOSA-N 433.302 4.142 5 20 IIBD C[C@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(OCc2cccnc2)cc1 537640429 FOZBAVMEZGFHGS-ZDUSSCGKSA-N 433.511 4.207 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cccc(CN(C)Cc3cscn3)c2)c1 538429836 DJGIUPKEZDRRNM-UHFFFAOYSA-N 440.525 4.399 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3ccc(OCCCC(=O)O)cc3)cc2[N+](=O)[O-])CC1 538466617 NPHBGIOLMZBSAF-UHFFFAOYSA-N 441.484 4.327 5 20 IIBD COc1ccc(C[C@H](NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccccc2)cc1OC 539260408 AAZMOOUPHCWFDJ-QFIPXVFZSA-N 449.507 4.433 5 20 IIBD CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 539970189 JSIMRMAVIFVQOT-BTYIYWSLSA-N 431.464 4.063 5 20 IIBD CCC(C)(C)OCc1ccccc1NS(=O)(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1C 542736928 BLKXZHCGLYHPTM-UHFFFAOYSA-N 436.486 4.107 5 20 IIBD CCc1ccc([C@H](Nc2ccc(N3CCCS3(=O)=O)cc2)c2ccc([N+](=O)[O-])cc2)o1 543423656 XLDFZLGDXMVJKT-JOCHJYFZSA-N 441.509 4.492 5 20 IIBD CC(C)(C)NS(=O)(=O)c1cc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)ccc1Cl 544934771 CBVYILVKETZONE-UHFFFAOYSA-N 436.877 4.042 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 546980567 VNMVATODHOOSNL-UHFFFAOYSA-N 442.497 4.103 5 20 IIBD O=C(Nc1cc(F)c(Br)c(F)c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 558497053 YSTOQZKYSIKPJG-UHFFFAOYSA-N 428.189 4.062 5 20 IIBD COc1c(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc(Cl)cc1C(=O)N(C)C 560839335 MYLODBSOBHXVIZ-UHFFFAOYSA-N 449.894 4.297 5 20 IIBD O=C(Nc1ccc(Cl)c(Br)c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 570131196 FEJRAQFHLUOXFQ-UHFFFAOYSA-N 426.654 4.437 5 20 IIBD CCCN1CCN(c2ccc(NC(=O)c3cc(C)ccc3[N+](=O)[O-])c(OCC)c2)CC1 574789005 MIAWRLFTYLKQLR-UHFFFAOYSA-N 426.517 4.086 5 20 IIBD CN(C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C1CCCCCC1 603558957 GNOOFNRVFXKWFY-UHFFFAOYSA-N 431.514 4.190 5 20 IIBD COc1ccc(CN(C)C)cc1NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 603589766 ACVRDROQQWQJPW-IAGOWNOFSA-N 440.544 4.400 5 20 IIBD COc1ccc(CN2C(=O)[C@@H](c3ccccc3)N(Cc3ccccc3)C2=O)cc1[N+](=O)[O-] 603677948 NDMLYIXKIFBAQK-JOCHJYFZSA-N 431.448 4.309 5 20 IIBD Cc1ccc(C(=O)Nc2ccccc2)cc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 603976737 WTGJSLDGOWYQFR-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD Cc1sc(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)nc1-c1cccc([N+](=O)[O-])c1 603997639 UBXWUGNIBJSUST-OAHLLOKOSA-N 428.514 4.146 5 20 IIBD O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 604461648 TVONCKCIMFUITG-LLVKDONJSA-N 442.369 4.122 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC[C@@H]3CN3CCCC3)cc2[N+](=O)[O-])n1 608813913 HFHLDZIODPZNBZ-MRXNPFEDSA-N 432.571 4.211 5 20 IIBD Cc1c(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cccc1C(=O)Nc1ccccc1 608943014 RWPFKSGURDSEKH-UHFFFAOYSA-N 433.420 4.179 5 20 IIBD CC(C)CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 609036485 OSTJKXXTAFOBGT-CZUORRHYSA-N 435.571 4.266 5 20 IIBD CSc1nnc(CCCNc2ccc(Br)cc2[N+](=O)[O-])n1CC(C)C 609111343 BLHLETGHUQWSIF-UHFFFAOYSA-N 428.356 4.371 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(c2ncccc2Br)CC1 609213821 ATPMCNYYHWCQEG-UHFFFAOYSA-N 431.212 4.098 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)Nc1ncc(Cc2cc(F)cc(F)c2)s1 609469603 LJKLPVKZNBXNGH-UHFFFAOYSA-N 434.424 4.121 5 20 IIBD C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609551171 JLTGMCQTZPIFOM-CWTRNNRKSA-N 427.844 4.104 5 20 IIBD Cc1cc(C(=O)NC2CCCCC2)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 609661335 DKWHCNYNOYYALI-UHFFFAOYSA-N 431.514 4.075 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@H]1CCCN(C(=O)N2CCCC2)C1 609762915 RWRPZRRKUKBABE-KRWDZBQOSA-N 438.484 4.253 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCn2c1nc1ccccc12 609854211 PASLYKBAVHRKBV-UHFFFAOYSA-N 443.250 4.097 5 20 IIBD COc1ccc(C(=O)Nc2c(C)c(C)nn2-c2ccc(Br)cc2)cc1[N+](=O)[O-] 609871562 JJRSWWVCIXVNIK-UHFFFAOYSA-N 445.273 4.421 5 20 IIBD O=C(N[C@H]1CCN(C2CCCCC2)C1=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 610827323 DETFHRQCKKEJKX-FQEVSTJZSA-N 439.537 4.409 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)s1 611280682 QALKPYSEJTVXJL-JIGDXULJSA-N 440.387 4.381 5 20 IIBD COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 611332826 ITEKVEIEGCFWPO-GOSISDBHSA-N 439.512 4.258 5 20 IIBD COc1cc(OC)c(C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)cc1OC 619729312 DFNFWMNPMHNCDQ-UHFFFAOYSA-N 429.454 4.305 5 20 IIBD COc1cc(C(=O)OCc2csc(N(C(C)=O)c3ccccc3F)n2)ccc1[N+](=O)[O-] 725945189 GSKJSRCZWRVASS-UHFFFAOYSA-N 445.428 4.241 5 20 IIBD C[C@@H](CC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccccc1F 726841289 CIXHBYCLCFEKNF-NSHDSACASA-N 428.338 4.428 5 20 IIBD O=C(COC(=O)/C=C\Sc1ccccc1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 730037179 NYIPVMIMVQSQKV-HJWRWDBZSA-N 426.372 4.401 5 20 IIBD Cc1nc(-c2cccc(NC(=O)COC(=O)c3c(Cl)cccc3[N+](=O)[O-])c2)cs1 730642773 GHTRZLSXJONUPT-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2ccccc2SC(F)F)c1 731181399 QAUYWUVMJHKUFH-UHFFFAOYSA-N 439.259 4.473 5 20 IIBD CSc1ccc(-c2csc(NC(=O)COc3ccc(C=O)cc3[N+](=O)[O-])n2)cc1 731639843 YGXISOCIAPQIDR-UHFFFAOYSA-N 429.479 4.270 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1F 732524862 PQDIVETWEGSTQT-UHFFFAOYSA-N 425.438 4.190 5 20 IIBD C[C@H](OC(=O)CO[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 733020162 FFYGRDIHLHPEQX-MBNYWOFBSA-N 432.395 4.079 5 20 IIBD COc1ccc(-c2nn(CN(C)Cc3ccccc3[N+](=O)[O-])c(=O)c3ccccc23)cc1 734473395 ICIAKNJUPDWAGA-UHFFFAOYSA-N 430.464 4.070 5 20 IIBD C[C@H](c1ccccc1)N1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 734784196 ZRMDSOKHSIYCRW-CQSZACIVSA-N 432.318 4.313 5 20 IIBD O=C(CCNC(=O)N1CCc2ccccc2C1)Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-] 735914073 IZEDUQPLKDOZFW-UHFFFAOYSA-N 445.475 4.325 5 20 IIBD CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H](C)c1ccccc1 737300713 LWZJCNRLGYSNCV-QAPCUYQASA-N 446.935 4.068 5 20 IIBD CN(CC1(c2ccc(Br)cc2)CC1)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 741200187 JRJINRXSFWEZJQ-UHFFFAOYSA-N 437.265 4.065 5 20 IIBD O=C(Nc1cc2c(cc1Br)OCCO2)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 742519559 VHVQFXPLBZRDRH-UHFFFAOYSA-N 447.163 4.400 5 20 IIBD O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1cc(F)ccc1[N+](=O)[O-] 745415322 IZPCGZCBNRMMSV-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD COc1ccc(NC(=O)COC(=O)/C=C(\C)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 745486573 JKEXMVXJLXEHPC-XYOKQWHBSA-N 438.358 4.207 5 20 IIBD CC[C@@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1nc(C(F)(F)F)cs1 745935050 HXYYOMAVRJBZBR-CQSZACIVSA-N 443.451 4.053 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)NCc1ccccc1Cl 747125758 PYGGMMQACSPWNU-SNVBAGLBSA-N 430.766 4.129 5 20 IIBD C[C@@H]1CCc2ccccc2N1C(=O)COC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 747955787 BZCXEXMDJXDENM-CQSZACIVSA-N 437.477 4.243 5 20 IIBD Cc1c(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748698637 DEVDVFWKYKRTDB-UHFFFAOYSA-N 446.891 4.168 5 20 IIBD CC(=O)N[C@H](CC(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 749060583 YEDPQQWTOKLTLM-YVEFUNNKSA-N 435.274 4.229 5 20 IIBD CN(C)C(=O)c1ccccc1OC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 751315307 HYDGVOUPQNWNDL-UHFFFAOYSA-N 428.388 4.013 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)Cc1ccc(OCc2ccccn2)cc1 751574228 SABVMCCQNHIBNB-UHFFFAOYSA-N 425.872 4.423 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cccc(Cl)c1Br 753019469 LOIFBEUSIWIGEO-UHFFFAOYSA-N 428.626 4.490 5 20 IIBD COCCc1noc(-c2cc(Cl)ccc2NC(=O)c2cc([N+](=O)[O-])ccc2Cl)n1 753274050 MZHWRWIHIIRDBQ-UHFFFAOYSA-N 437.239 4.393 5 20 IIBD CSc1ccc(NC(=O)COC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1 753435074 WQLURLWNTSOQOC-UHFFFAOYSA-N 439.287 4.183 5 20 IIBD Cc1ccc(-n2cnc3c2CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C3)cc1 754409494 STACAPUNYYKQKT-UHFFFAOYSA-N 445.523 4.278 5 20 IIBD C[C@@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1cccc(-n2cccn2)c1 755029939 KIWXCTSTKUYIRA-GFCCVEGCSA-N 430.262 4.426 5 20 IIBD C[C@@](O)(CC(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CC1 756320468 MAZZCAWDXLLDFR-TZIWHRDSSA-N 432.860 4.022 5 20 IIBD COc1ccc([C@H]2CCCCCN2C(=O)COC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1 758113193 JHVVCSSUCOYBTC-LJQANCHMSA-N 430.432 4.043 5 20 IIBD O=C(c1ccccc1C(F)(F)F)N1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 761506918 POGRCMVEDJEKGW-UHFFFAOYSA-N 427.810 4.225 5 20 IIBD C[C@@H](c1noc(-c2cc([N+](=O)[O-])ccc2I)n1)c1cccs1 762191070 BUAQYGJHXPDFDM-MRVPVSSYSA-N 427.223 4.463 5 20 IIBD COc1ccnc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 762225206 MIIORSWUWRGKER-UHFFFAOYSA-N 426.816 4.156 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N(Cc1ccco1)C[C@@H]1CCCO1 764607021 XCVXTXKFPIOZHZ-ZDUSSCGKSA-N 443.681 4.425 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)Nc1cccc(Br)c1 766230258 HAKLPVXKXDLYDQ-LLVKDONJSA-N 444.241 4.090 5 20 IIBD C[C@H](c1ccccn1)N(C(=O)CN(C)c1ccccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 766584318 HLWOBMUQEPFCLO-GOSISDBHSA-N 433.512 4.286 5 20 IIBD CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccccc1NC(=O)c1c([N+](=O)[O-])cnn1C 766873945 VEFJTUSWFLQTQU-CLCXKQKWSA-N 428.489 4.198 5 20 IIBD C[C@H](OC(=O)c1csc(-c2ncccc2F)n1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 768659909 OQURKOBWEYXNKN-JTQLQIEISA-N 441.400 4.220 5 20 IIBD CCN(CC)C(=O)COc1ccc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)cc1Cl 769478484 CMVNAOGIHKYSGD-UHFFFAOYSA-N 441.818 4.026 5 20 IIBD COc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 772448185 VODRPAKQNSQXTI-INIZCTEOSA-N 441.484 4.024 5 20 IIBD CC1(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCN(Cc2ccccc2)CC1 772711992 RMTOLPOYAWGOQY-UHFFFAOYSA-N 445.903 4.032 5 20 IIBD C[C@H](OC(=O)c1c(F)ccc(F)c1F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 772738124 VCUKAXZPCFSDDV-ZETCQYMHSA-N 436.264 4.215 5 20 IIBD CC(C)(C)OC(=O)N[C@H](CC(=O)OCc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 773462730 RGZJMKXERLRNEV-CQSZACIVSA-N 443.294 4.094 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1c(C(F)(F)F)ccnc1Cl 776470899 YXRRGBLDAODMTN-UHFFFAOYSA-N 428.710 4.069 5 20 IIBD CSc1cccc(C(=O)OC[C@@H]2CC(=O)N(C)[C@H]2c2cccc(Cl)c2)c1[N+](=O)[O-] 777320665 ASLNKGRRTGVCNA-UGSOOPFHSA-N 434.901 4.347 5 20 IIBD CCOc1ccc(N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1Br 777638498 UJIAYYPTZKCOPS-NSHDSACASA-N 438.278 4.204 5 20 IIBD CCCc1cc(=O)oc2cc(OC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc12 781561704 QTKLEVPDQFIEEA-UHFFFAOYSA-N 426.381 4.100 5 20 IIBD O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781673854 WOYAAFJYLLXZFF-GHRAFVERSA-N 449.488 4.034 5 20 IIBD O=C(Nc1cccc(N2CCOC2=O)c1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 782483925 UWZAIKWKNQAHBD-UHFFFAOYSA-N 433.420 4.383 5 20 IIBD C[C@H](OC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)C(=O)Nc1ccc2ccccc2c1 786787127 YZORQENHNXZSQX-HNNXBMFYSA-N 445.431 4.245 5 20 IIBD CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790556963 YAVVWRUNHGZNEZ-UHFFFAOYSA-N 444.894 4.422 5 20 IIBD COc1ccc(OC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 792121189 LLKHLYMKBZUNNX-NRFANRHFSA-N 436.420 4.177 5 20 IIBD COc1c(C(=O)OCC(=O)Nc2ccccc2Oc2ccc(C)cc2)cccc1[N+](=O)[O-] 796312036 LOHXKYNOXFHPRJ-UHFFFAOYSA-N 436.420 4.500 5 20 IIBD O=C(CN(Cc1ccccc1)C[C@H](O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl 796366002 XMJXSSTVPFFSBS-QFIPXVFZSA-N 439.899 4.423 5 20 IIBD Cc1cc(OCC(=O)OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)ccc1[N+](=O)[O-] 797495114 QIYJVEFSPDBRFZ-UHFFFAOYSA-N 446.765 4.136 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 798787451 RUXWRBCMQYKCTD-VXGBXAGGSA-N 440.374 4.296 5 20 IIBD CC(C)(C)OC(=O)NC[C@]1(C)CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 800878904 NLMXIPGMCYOFJE-QHCPKHFHSA-N 442.516 4.310 5 20 IIBD COc1cccc(CN(C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1OCc1ccccc1F 801600608 HKHYEGWOHUZAEA-JOCHJYFZSA-N 440.471 4.487 5 20 IIBD Cc1noc([C@@H]2CCCCN2C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)n1 804858158 NGZIDDNSSJIANL-NSHDSACASA-N 429.658 4.070 5 20 IIBD CC(C)(C)OC(=O)NCC[C@H]1CCCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 805296962 HEXHTXQXXARGGX-GOSISDBHSA-N 446.548 4.105 5 20 IIBD O=C(NC1CCCCC1)OC[C@@H]1CCCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 805829829 RLLDTGFZPMFXSC-IBGZPJMESA-N 443.504 4.058 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N1CCC[C@H]1/C=C/c1ccccc1 810383109 YNQKCVXEEABANY-DZZUKKPASA-N 444.285 4.000 5 20 IIBD C[C@H]1CN(Cc2csc(NC(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])n2)C[C@H](C)O1 812853710 SQEXVTVCPDVZPW-UWVGGRQHSA-N 445.328 4.220 5 20 IIBD COc1ccc([C@@H](O)C2CCN([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 812856347 OZDONTHQOBOOEW-SPLOXXLWSA-N 447.919 4.029 5 20 IIBD O=C(Nc1ccc(OC(=O)[C@H]2C[C@@H](c3ccccc3)OC2=O)cc1)c1cccc([N+](=O)[O-])c1 813384824 DKYWWKLPPPFHGB-RTWAWAEBSA-N 446.415 4.057 5 20 IIBD Cc1cc(=O)oc2cc(OCC(=O)OCc3cc([N+](=O)[O-])ccc3C(F)(F)F)ccc12 815171628 FFNUADVHHKRWNE-UHFFFAOYSA-N 437.326 4.151 5 20 IIBD Cc1cc(Cl)c(C(=O)O[C@@H](C)C(=O)Nc2ccccc2OC(F)F)cc1[N+](=O)[O-] 815405423 VRCSBIMOUOALQI-JTQLQIEISA-N 428.775 4.342 5 20 IIBD CCOC(=O)[C@@H](c1ccc(Cl)cc1)N(CC)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 818105380 HAGTXESAOGDHIW-GOSISDBHSA-N 449.847 4.231 5 20 IIBD Cc1ccc([C@H](NC(=O)COC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C2CC2)cc1 920779001 XWJBGBAAXMEGRA-QKKBWIMNSA-N 446.887 4.135 5 20 IIBD O=C(Cc1ccc(O)cc1)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 925444942 ASIOYGHKQAFRJJ-NRFANRHFSA-N 440.839 4.420 5 20 IIBD O=C(NCCCO)c1ccc(NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1 1256730446 QVOUKZUWJKPJHY-UHFFFAOYSA-N 429.860 4.233 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(-c3ccc(Cn4nnc(-c5ccccc5)n4)cc3)o2)cc1 1257629785 OLRWKDYDCBDTJV-UHFFFAOYSA-N 425.408 4.014 5 20 IIBD COc1ccc(Cl)cc1-c1nc(=S)n(CN2CCc3ccc([N+](=O)[O-])cc3C2)[nH]1 1319059137 YIBOKMXDIMMSIC-UHFFFAOYSA-N 431.905 4.194 5 20 IIBD O=C(Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1)c1cc(F)c([N+](=O)[O-])cc1F 1321140077 VENAFFYYQHQIFP-UHFFFAOYSA-N 432.770 4.426 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(CCSCc2nc(O)c3ccccc3n2)n1 1325471243 VAXNFWDFEQCXDO-UHFFFAOYSA-N 437.481 4.386 5 20 IIBD COC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3c(F)ccc([N+](=O)[O-])c3C)CCC2)cc1 1785894497 XNWYWUCLVCMPII-UHFFFAOYSA-N 443.475 4.215 5 20 IIBD CC(C)(C)OCC(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc([N+](=O)[O-])o3)CCC2)cc1 1786633951 KHUAWACRNCPPHX-PKNBQFBNSA-N 441.484 4.150 5 20 IIBD Cc1cnc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])o4)CCC3)cc2)s1 1787213711 RKWKGFPKSNQSSJ-UHFFFAOYSA-N 426.454 4.014 5 20 IIBD CC1(C(=O)Nc2ccc(C3(NC(=O)c4nc[nH]c4[N+](=O)[O-])CCC3)cc2)CCCCC1 1791530054 ZRRFNSXKHQQDFF-UHFFFAOYSA-N 425.489 4.036 5 20 IIBD CC(C)C1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc([N+](=O)[O-])o3)n[nH]2)CCC1 1814313353 KCYUTMGORANMRI-OAHLLOKOSA-N 429.477 4.043 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cc([C@H]2CCCCN2C(=O)C2CCCC2)[nH]n1 1815537437 LLAJNWQQVXZFDI-HXUWFJFHSA-N 439.516 4.133 5 20 IIBD Cc1ccoc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])[nH]n1 1818174378 MNQPCPPAESRZSR-JBVUFVISSA-N 449.467 4.239 5 20 IIBD O=C(c1cccc(F)c1[N+](=O)[O-])N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2)CC1 1829875615 FIJPYIGRPJAYGY-NRFANRHFSA-N 439.487 4.281 5 20 IIBD CC1(C)CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)CC2)C1 1831928330 BUAFARMXWAHXGX-IEJURRBGSA-N 443.544 4.257 5 20 IIBD CCc1ccc(S(=O)(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 14100315 LEKGMRSMQDZYRE-UHFFFAOYSA-N 426.450 4.177 5 20 IIBD O=C(CSc1nnc(NCc2ccc(F)cc2)s1)Nc1ccc(F)c([N+](=O)[O-])c1 16334607 QLTIDULWDJBYTN-UHFFFAOYSA-N 437.453 4.067 5 20 IIBD COc1cccc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 16565392 NAOVAXNUXZZRMR-XMMPIXPASA-N 446.507 4.105 5 20 IIBD C[C@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)Nc1ccccc1Cl 17044927 RJRBGUJNLZSBSI-AWEZNQCLSA-N 431.876 4.035 5 20 IIBD COc1cc(CN(C)C(=O)COc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 18188034 UDSCBDSXLYDMFH-UHFFFAOYSA-N 436.464 4.220 5 20 IIBD Cc1cc(=O)c(C(=O)Nc2ccccc2-c2ccccc2)nn1-c1ccccc1[N+](=O)[O-] 21889735 WWFZAQHIKQTDOU-UHFFFAOYSA-N 426.432 4.368 5 20 IIBD O=C(O[C@H]1CCOC1=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 28444968 OWSUEOBJXOCVKK-WMJZSHNHSA-N 444.443 4.492 5 20 IIBD Cc1nc(-c2ccc([C@@H](C)NC(=O)[C@@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cs1 29100968 IQARJBVPCZWVDN-ZIAGYGMSSA-N 438.509 4.022 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1 29252068 FGKSJGBZDCYDBO-KRWDZBQOSA-N 449.532 4.213 5 20 IIBD CCCCCNC(=O)C1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 32706838 ZLQVXFMZYVEXNE-UHFFFAOYSA-N 438.528 4.497 5 20 IIBD Cn1c(SCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)nnc1-c1ccc(Cl)cc1 46865041 QLFIKCIBRYETSE-UHFFFAOYSA-N 428.861 4.386 5 20 IIBD Cc1cc(N2CCSCC2)ccc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 65036652 XZJOGEIZWYMOLF-UHFFFAOYSA-N 440.569 4.312 5 20 IIBD Cc1ccccc1CN1CCC(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 65109940 FMIPPQBOCVKIJX-UHFFFAOYSA-N 436.537 4.421 5 20 IIBD CC1CCN(C[C@@H]2CCCN(C(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])C2)CC1 109661619 PPKYQNKIOJVZLM-INIZCTEOSA-N 443.466 4.120 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCN(c2ccccc2OC(F)F)C1 303632272 FYSOQDXFEGAZIU-NSHDSACASA-N 426.807 4.250 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCOc2c(Br)cccc21 409715281 PGZRDDDCHKUARJ-OAHLLOKOSA-N 440.681 4.334 5 20 IIBD O=C([C@@H]1C[C@]12CCc1cc(Br)ccc12)N1CCc2ccc([N+](=O)[O-])cc2C1 409796936 LIIDOKJJDHFODM-FPOVZHCZSA-N 427.298 4.146 5 20 IIBD COc1ccc(-c2nc(C)c(C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)s2)c(F)c1 410093695 IZYSCZZNYUWDLM-UHFFFAOYSA-N 427.457 4.373 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(-c2csc(C)n2)s1 410402710 JRBRKTOLDNEOEW-UHFFFAOYSA-N 425.513 4.288 5 20 IIBD CCOC(=O)Cn1ccc2cc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])ccc21 429807292 IILJRKVFPJFMQX-UHFFFAOYSA-N 446.257 4.127 5 20 IIBD Cc1cc([C@H](C)NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c(C)s1 430313984 WKOPLFYIDDPMNY-JTQLQIEISA-N 440.319 4.160 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(Cl)c(F)c1 433537844 KPJNJNJZUYEXIM-QGZVFWFLSA-N 449.866 4.022 5 20 IIBD COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3n2C(C)C)cc1[N+](=O)[O-] 433681833 FXVJBXCYSBNSKM-GOSISDBHSA-N 444.513 4.060 5 20 IIBD COc1c(C)cnc(CN(C)C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1C 436230138 VAZFKZWRHSVULN-UHFFFAOYSA-N 437.446 4.252 5 20 IIBD O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1cccc2c(=O)c3cccc(F)c3[nH]c12 436342973 MMSLPJNUKMSRRF-UHFFFAOYSA-N 447.447 4.454 5 20 IIBD O=C(NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)c1ccc(O)c([N+](=O)[O-])c1 436636049 WWTLJPIVSSUFQP-UHFFFAOYSA-N 428.448 4.142 5 20 IIBD O=C(Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1)c1ccc([N+](=O)[O-])cc1O 436987891 IYLZCMKRXAHDFV-UHFFFAOYSA-N 431.857 4.198 5 20 IIBD CC(C)C(=O)Nc1cccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 438807718 FJEBKNSRBWQKHC-UHFFFAOYSA-N 432.285 4.297 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCCC[C@@H]1c1ncc(-c2ccccc2)[nH]1 439199352 MLZMZCWKHJTBGA-HXUWFJFHSA-N 426.498 4.042 5 20 IIBD CC(C)c1ccc(C(=O)NC2(c3noc(CN(C)C)n3)CCCCCC2)cc1[N+](=O)[O-] 439471122 QVNNPMVAPLWZIF-UHFFFAOYSA-N 429.521 4.142 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(OCc2cccc(C)c2)c1 439817101 ZXABSLWVIMNHRW-UHFFFAOYSA-N 449.463 4.458 5 20 IIBD CNC(=O)COc1ccc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])cc1 440475546 FUQKLDUCMAPXBF-UHFFFAOYSA-N 437.477 4.123 5 20 IIBD O=C(CCN(Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1ccc(Br)cc1F 441265589 MEICELYBFVAZSG-UHFFFAOYSA-N 436.281 4.490 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1)c1cccc([N+](=O)[O-])c1 441708962 TZXATZYGBIFAQF-ZDUSSCGKSA-N 440.843 4.251 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCN(Cc2ccccc2Cl)CC1 444244494 NACABMDAOQIXBH-UHFFFAOYSA-N 431.923 4.293 5 20 IIBD Cc1cc(-c2cc(C(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)c3c(C)noc3n2)c(C)o1 444641143 FLUYHLBPXXNERS-UHFFFAOYSA-N 446.423 4.123 5 20 IIBD CC1CCN(c2ccc(-c3nc(CC(=O)N[C@H](C)c4ccccc4)no3)cc2[N+](=O)[O-])CC1 445296089 KZQZNYFXPZSJNB-QGZVFWFLSA-N 449.511 4.301 5 20 IIBD Cc1ccc(NC(=O)CCc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)Nc1ccccc1 445843163 OWZLXXFBQUPFQQ-UHFFFAOYSA-N 439.493 4.275 5 20 IIBD CC(C)n1ncc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Br)cc21 447005322 GTPCTLJAODXFLZ-UHFFFAOYSA-N 439.291 4.089 5 20 IIBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccnc(Oc2ccc(F)cc2F)c1 448138438 UDPDWWYYQIUPHQ-UHFFFAOYSA-N 443.362 4.474 5 20 IIBD O=C(Nc1ccc(-c2ccc(Cl)s2)cn1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 448511674 VCXWHGRKOCKFKX-UHFFFAOYSA-N 426.845 4.205 5 20 IIBD O=C(CCSc1ccccc1Br)N1CCOc2ccc([N+](=O)[O-])cc2C1 461396114 XSHSGFMFQJSQRC-UHFFFAOYSA-N 437.315 4.261 5 20 IIBD O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1C[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 461453582 YZMRVKCBZYSCIQ-NHCUHLMSSA-N 437.543 4.275 5 20 IIBD C[C@@H](OCCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccccc1 462481035 VBRPEUOWXGRKPE-GFCCVEGCSA-N 433.313 4.348 5 20 IIBD O=C(Nc1ccc(O)cc1)C1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 462496322 SXKCCPAIKLPTSI-UHFFFAOYSA-N 448.479 4.130 5 20 IIBD CC(C)CN(C(=O)C[C@@H]1CCCCC(=O)N1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 462843981 HHIKDEUQTQDVMZ-HNNXBMFYSA-N 430.530 4.156 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC(c2nc(-c3ccccn3)no2)CC1 463545333 NZYBSOQEGKCTJB-UHFFFAOYSA-N 447.373 4.078 5 20 IIBD C[C@H](c1nccs1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 464331109 FDDGJEDFDKCHOQ-MRXNPFEDSA-N 438.509 4.363 5 20 IIBD Cc1cc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)c(Br)c1 464417817 IKSYNRXLJMKXDP-UHFFFAOYSA-N 436.287 4.323 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3ccccc3)C[C@H]2C)cc1OC 466883700 HTIIURRDPZTBOI-AEFFLSMTSA-N 428.485 4.037 5 20 IIBD CCc1ccc([C@@H](NCc2cccc(S(=O)(=O)CC)c2)c2ccc([N+](=O)[O-])cc2)o1 467409839 AXKJVNRYEJJDDW-QFIPXVFZSA-N 428.510 4.423 5 20 IIBD C[C@@H](O)C[C@H]1CCCCN1C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 468580232 VGSLXNLZTYEGOJ-WZONZLPQSA-N 448.523 4.142 5 20 IIBD C[C@H](Nc1ccccc1O[C@H]1CCOC1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 469881019 MXJWTBXHCQQQPI-JSGCOSHPSA-N 439.390 4.220 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(C(F)(F)F)c2C)cc1OC 471828471 WSCNOBIWHUHHJB-UHFFFAOYSA-N 428.363 4.208 5 20 IIBD O=C(Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1cc(Br)cc([N+](=O)[O-])c1 476312063 RJJJPNQEEMAZDV-UHFFFAOYSA-N 444.285 4.299 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cc1N1C(=O)CNC1=O 478195963 BWNMCLQQNULJID-UHFFFAOYSA-N 446.419 4.004 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(I)ccc2C)c1 478659734 CAOCLVUCHKVPKK-UHFFFAOYSA-N 428.251 4.482 5 20 IIBD CCOC(=O)c1sc2nc(CN(C)C)nc(Oc3cc(C)c([N+](=O)[O-])cc3F)c2c1C 480305063 BQIGKMNEVWDCEN-UHFFFAOYSA-N 448.476 4.386 5 20 IIBD C[C@H](NCc1ccnc(N2CCN(C)CC2)c1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 480721985 WQYQCPFDJCXXMR-KRWDZBQOSA-N 437.569 4.321 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(N(C)c2ccccc2)CC1 483155399 SXZBYNMQFJFQSY-UHFFFAOYSA-N 429.542 4.074 5 20 IIBD CC[C@@H](C)NC(=O)c1ccc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 488396863 MGGFZYZBJRCQFC-GFCCVEGCSA-N 438.406 4.464 5 20 IIBD CCn1cc([C@@H]2C[S@](=O)CCN2Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cn1 488544344 NKKXNFKCUIEHSK-WWOZWPLTSA-N 448.932 4.030 5 20 IIBD C[C@H](Sc1nnc(NCC(F)(F)F)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 489031869 APSOTMWCKJYKGG-LURJTMIESA-N 441.844 4.193 5 20 IIBD CCc1c(C(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC)[nH]c(C)c1C(C)=O 489395889 AEZFKYVDTRNEJT-UHFFFAOYSA-N 441.513 4.250 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 490018128 OYCLGGDDHZBHJO-CABCVRRESA-N 444.557 4.145 5 20 IIBD C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 495316617 OIFGZVJRMRIVGP-CQSZACIVSA-N 434.481 4.132 5 20 IIBD Cc1ccccc1CN(Cc1cccnc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 497779984 NHSJWTRXRSUSPM-UHFFFAOYSA-N 431.901 4.343 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCC[C@@H](S(C)(=O)=O)CC3)cc2[N+](=O)[O-])cc1 500713826 LFKCCGDYACJQNE-GOSISDBHSA-N 448.566 4.094 5 20 IIBD COc1cc(CCNC(=O)c2ccc(CCC(F)(F)F)cc2)c([N+](=O)[O-])cc1OC 502252971 JNTSYLBUIHMIHC-UHFFFAOYSA-N 426.391 4.079 5 20 IIBD CC(C)N(CCN(C)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)C(C)C 504144070 NCCQLDVDZAAQGR-SFHVURJKSA-N 427.549 4.354 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NC[C@H]3CCCn4cc(C)nc43)cc2[N+](=O)[O-])n1 505904796 WHUJGOSJZAYUBR-OAHLLOKOSA-N 443.554 4.323 5 20 IIBD Cc1ccc(NC(=O)C(=O)NCc2ccc(-c3ccc4c(c3)CCCO4)cc2)cc1[N+](=O)[O-] 507019914 AXGZVKZOZFKYQH-UHFFFAOYSA-N 445.475 4.150 5 20 IIBD COc1ccc(CSCC(=O)N2CCC(c3c[nH]c4ncccc34)CC2)cc1[N+](=O)[O-] 509406578 HDHIUDBKONNIPU-UHFFFAOYSA-N 440.525 4.119 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)c([N+](=O)[O-])c1 509557259 OJTZYOWRHJWIFZ-UHFFFAOYSA-N 435.845 4.203 5 20 IIBD O=C(Nc1c(-c2cccs2)nc2ccccn12)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 509811109 UGGMWPLFGVTHSP-UHFFFAOYSA-N 430.449 4.409 5 20 IIBD Cc1ccccc1-n1nc(C)c(CN(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1C 511912101 RGBAHDLGFUIVMS-UHFFFAOYSA-N 448.932 4.180 5 20 IIBD Cc1c(NC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)cccc1[N+](=O)[O-] 513082772 LBIKFDJRZYKMHQ-CQSZACIVSA-N 433.306 4.314 5 20 IIBD COC(=O)c1ccc(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)o1 513269225 SOHRCCAOBQRXRJ-UHFFFAOYSA-N 430.800 4.350 5 20 IIBD O=C(c1ccc(S(=O)(=O)Cc2ccccc2)cc1)N1CCCc2c1cccc2[N+](=O)[O-] 513841667 UYPJGWKBVMFBDG-UHFFFAOYSA-N 436.489 4.162 5 20 IIBD CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1Cl 515243003 ZRANEGADXHXGSS-UHFFFAOYSA-N 446.312 4.184 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 515776531 GPPSEWZAXOKLED-UHFFFAOYSA-N 437.283 4.200 5 20 IIBD CCNc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)cc1[N+](=O)[O-] 518307308 BVBJAOXNHFZWEM-NRFANRHFSA-N 432.480 4.006 5 20 IIBD CCOc1ccc(NC(=O)CNc2ccccc2NC(=O)c2cccs2)c([N+](=O)[O-])c1 522627368 XLVKQRGYUIHZFH-UHFFFAOYSA-N 440.481 4.358 5 20 IIBD O=C(NCC(=O)N(Cc1ccsc1)c1ccccc1)c1c(Cl)cccc1[N+](=O)[O-] 522668599 JISQDPLWQQZRJI-UHFFFAOYSA-N 429.885 4.273 5 20 IIBD COc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc(OC)c1OC(F)F 524768792 CSBJDZFSHPUVQR-UHFFFAOYSA-N 434.298 4.067 5 20 IIBD C[C@]1(CN[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)CCCO1 532292666 TWQLUNBHAGHSNW-AZUAARDMSA-N 448.317 4.196 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1cccc(Cn2cnc3ccccc32)c1 533942950 NNRULTHCLRRDPX-UHFFFAOYSA-N 439.475 4.333 5 20 IIBD CCC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2ccc(CC)c([N+](=O)[O-])c2)c1 534787441 MYTPHQIYNHAUFE-HNNXBMFYSA-N 433.530 4.018 5 20 IIBD COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534841055 KMIIZQOTIXUJNI-GOSISDBHSA-N 435.358 4.013 5 20 IIBD C[C@H]1CCCC[C@@H]1OCCNC(=O)CSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 535506614 FBGNLHZQMYHYOA-KXBFYZLASA-N 433.530 4.195 5 20 IIBD COc1cc(CN2CCO[C@H](c3ccccc3C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F 536668769 PCNOTCCJBSKZNA-FQEVSTJZSA-N 440.418 4.426 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@H](CO)c3ccccc3C)cc2[N+](=O)[O-])n1 537780867 VACCJZMSYZJYBO-MRXNPFEDSA-N 429.523 4.283 5 20 IIBD NS(=O)(=O)c1ccc(N[C@@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)c([N+](=O)[O-])c1 538006290 RCWBZKFCDBATHW-MRXNPFEDSA-N 449.838 4.478 5 20 IIBD COc1cc(C(=O)Nc2cccc(CCN3CCC(C)CC3)c2)c([N+](=O)[O-])cc1OC 538796162 SSGQCBZGDMTIKZ-UHFFFAOYSA-N 427.501 4.139 5 20 IIBD CN(C(=O)c1cn(-c2ccccc2Cl)nn1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 540453823 IOWAMHMVXACOSZ-UHFFFAOYSA-N 440.872 4.229 5 20 IIBD COC(=O)[C@H](NC(=O)c1cc(SC)ccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl 542280211 SXBIDADYVQBZPJ-OAHLLOKOSA-N 429.281 4.268 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 543026849 MXAYEBAIEORHOH-ZDUSSCGKSA-N 446.813 4.096 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H](C)c2nnc(C)s2)cc1[N+](=O)[O-] 544707947 XAUGEIONYIPBEC-LLVKDONJSA-N 442.522 4.199 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3ccc(OCc4nnc5n4CCCCC5)cc3)no2)s1 545533487 SIORSIYGLXBJJS-UHFFFAOYSA-N 438.469 4.270 5 20 IIBD O=[N+]([O-])c1ccc(-n2cc(-c3nc(-c4ccc(OCc5ccccc5)nc4)no3)cn2)cc1 546384464 WYWSGIGXFSGZHX-UHFFFAOYSA-N 440.419 4.472 5 20 IIBD C[C@H](CNC(=O)c1ccccc1)c1noc(Cn2c3ccccc3c(=O)c3ccccc32)n1 547170913 DJMCHDGQENWFFD-QGZVFWFLSA-N 438.487 4.120 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(-c3ccccc3OCC3CCCC3)no2)ccc1-n1cncn1 547197270 KFXRRHKXSOSXLK-UHFFFAOYSA-N 432.440 4.462 5 20 IIBD CC[C@H](Cc1ccccc1Br)N(C)C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 548151416 WWIDKHJGANDNEO-MRXNPFEDSA-N 435.318 4.388 5 20 IIBD CC(C)(NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1ccccc1Br 550261509 RSRKGLUXCLZORT-UHFFFAOYSA-N 430.258 4.276 5 20 IIBD Cc1ccnc(-c2cccc(NC(=O)C(=O)Nc3ccc(C(C)(C)C)c([N+](=O)[O-])c3)c2)n1 551472475 NEKTXHAERFPVSO-UHFFFAOYSA-N 433.468 4.235 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 552334371 ILGYSOHKBFRDKW-NRFANRHFSA-N 444.329 4.096 5 20 IIBD CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 553356619 YJIMNSNZASXDIS-UHFFFAOYSA-N 436.447 4.239 5 20 IIBD CCN(C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H](C)c1ccc(F)cc1 556513500 UCEVBAPYFCYKLO-LLVKDONJSA-N 438.253 4.045 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 557118922 XWNSOPWHRIYTIY-HYBUGGRVSA-N 445.475 4.419 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)c1 558869172 ZLMSLHXKONDRCC-FPOVZHCZSA-N 433.455 4.226 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCCC[C@H]1c1cc[nH]n1 561332595 LNCUNALULWMOLW-INIZCTEOSA-N 435.271 4.178 5 20 IIBD COc1cccc(CN(C)c2cccc(C(N)=O)c2[N+](=O)[O-])c1OCc1ccccc1F 567417166 YGFZSQJUYJMRRR-UHFFFAOYSA-N 439.443 4.057 5 20 IIBD O=C(NC1(c2noc(Cn3ccc4cc([N+](=O)[O-])ccc43)n2)CCCC1)c1ccccc1 570726336 YKTQHUPVIBHMCT-UHFFFAOYSA-N 431.452 4.180 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccc(-c2ccc(OC)cc2)cc1 576912762 SJJWCRLJLIFJCI-UHFFFAOYSA-N 433.464 4.088 5 20 IIBD COc1ccc([C@H](Cc2ccccc2)NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 581161408 XYTRKIHISLNBHL-QHCPKHFHSA-N 431.492 4.066 5 20 IIBD O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCC[C@](O)(C(F)(F)F)CC1 587998891 VTVNDUVKXSAANA-HXUWFJFHSA-N 437.418 4.126 5 20 IIBD CC[C@@H](C)NC(=O)CN(c1ccc([C@H](C)CC)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 596921353 YLACUAZRYQPGGA-IAGOWNOFSA-N 447.557 4.218 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc2c(c1)OCCCO2 603648137 FIWFMTZQQBSECJ-UHFFFAOYSA-N 440.378 4.009 5 20 IIBD O=C(NC1CC1)c1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c1 603774777 UNETZJUYOFTEOO-UHFFFAOYSA-N 431.448 4.209 5 20 IIBD Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)COc1cccc([N+](=O)[O-])c1 603977142 UBZIQEAJESWOPI-HZPDHXFCSA-N 425.485 4.039 5 20 IIBD O=C(Nc1cccc(F)c1)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 603982891 ADOYJYOUCRLYBI-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CN(C)CCCOc1ccc([N+](=O)[O-])cc1 604012412 BMKCYQOFHHAQKG-UHFFFAOYSA-N 436.306 4.005 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N1CCc2n[nH]cc2C1 604481738 ZLIKYEGRDOWWAG-LFIBNONCSA-N 445.504 4.443 5 20 IIBD CCOc1cc(C(=O)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)c([N+](=O)[O-])cc1OC 604540752 CNZNXEJWCYULBW-OAHLLOKOSA-N 438.484 4.207 5 20 IIBD COc1ccc(C2(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)CCOCC2)cc1 604569225 RPNHVSJJBUEGHQ-UHFFFAOYSA-N 439.493 4.163 5 20 IIBD CS(=O)(=O)Cc1cccc(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1 609756189 ZPOCYEQOGJYULQ-UHFFFAOYSA-N 426.450 4.184 5 20 IIBD CSc1cccc(NC(=O)[C@H](C)SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c1 609770304 KZAWZFKBJICDOM-ZDUSSCGKSA-N 447.538 4.375 5 20 IIBD Cc1ccc(NCCCNC(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)c([N+](=O)[O-])c1 610093481 MHKXEFFHAPPOEC-IBGZPJMESA-N 428.489 4.085 5 20 IIBD CC(C)CCSc1ccc(C(=O)NCCc2cccc(C(=O)N(C)C)c2)cc1[N+](=O)[O-] 610183185 XQMCGQNODUYKIY-UHFFFAOYSA-N 443.569 4.407 5 20 IIBD COCCN1CCC[C@H](NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 613505084 SWMPBYRDEBGIAU-INIZCTEOSA-N 449.960 4.240 5 20 IIBD CN1Cc2cc(-c3csc(NC(=O)c4c[nH]c5cc([N+](=O)[O-])ccc45)n3)ccc2NC1=O 619464233 BVYVGTJIGCJGFA-UHFFFAOYSA-N 448.464 4.429 5 20 IIBD CC(C)(C)c1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1 725984384 AZXAFHVTJTWLAE-UHFFFAOYSA-N 435.274 4.450 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N1CCC[C@@H](n2ccnc2)C1 729266511 IIXGCCOQSCTGNO-WIYYLYMNSA-N 439.903 4.462 5 20 IIBD O=C(Nc1nnc(Cc2cccc(F)c2)s1)c1cc([N+](=O)[O-])ccc1Br 730502686 ZIHXLHXKJMAOCL-UHFFFAOYSA-N 437.250 4.191 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])O[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O 733383198 TURSSYLSPDYDAX-HNNXBMFYSA-N 440.399 4.054 5 20 IIBD C[C@H](OC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1 735149188 QEDGZCAGQAPYQH-NSHDSACASA-N 427.240 4.241 5 20 IIBD O=C(COC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)N[C@@H](c1ccccc1)C1CCCC1 735355053 MRPRGHIUQDAJNX-QHCPKHFHSA-N 449.463 4.053 5 20 IIBD COc1ccc2oc(C(=O)OC3CCN(c4ccc([N+](=O)[O-])c(OC)c4)CC3)c(C)c2c1 739380191 KNMSTFGZEPYEAE-UHFFFAOYSA-N 440.452 4.492 5 20 IIBD Cc1ccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2Br)c(Cl)c1 739545427 CJDLAAMOYWEHQJ-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD CNc1ccc(C(=O)OC[C@H]2CCC(=O)N(C)[C@@H]2c2cccc(Cl)c2)cc1[N+](=O)[O-] 740599601 FBLCMBWYENWVNS-FOIQADDNSA-N 431.876 4.056 5 20 IIBD COc1ccc(-n2ccnc2SCC(=O)OCc2ccc(Cl)c([N+](=O)[O-])c2)cc1 741439870 JITKORUMKHTBMM-UHFFFAOYSA-N 433.873 4.278 5 20 IIBD CCC(CC)c1cc(CNC(=O)c2ccc(I)c([N+](=O)[O-])c2)on1 741968217 HLGOOTRCEUAOTK-UHFFFAOYSA-N 443.241 4.021 5 20 IIBD C[C@@H]1C[C@@H](c2ccccc2F)N(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)C1 742422879 ONVVJXVCNLYTIF-QRWLVFNGSA-N 433.505 4.106 5 20 IIBD C[C@H](OC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(Br)cc1 743467534 PMZDOCBMPWDPOY-LBPRGKRZSA-N 449.257 4.350 5 20 IIBD CN(C(=O)c1ccc(Cl)cc1)c1ccc(OC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cc1 744281635 CRQDTAGMCUOPJA-UHFFFAOYSA-N 442.859 4.062 5 20 IIBD COc1ccc2sc(C(=O)O[C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)c(C)c2c1 745339161 JEBQFGHBKINDGZ-QGZVFWFLSA-N 426.450 4.089 5 20 IIBD COc1ccc(Cn2ncc(C)c2NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1OC 750181844 USYJNMNHVQWSBT-UHFFFAOYSA-N 430.848 4.071 5 20 IIBD O=C(Nc1ccc(-n2cnc3ccccc32)nc1)c1cccc([N+](=O)[O-])c1Br 753784553 HXDMVAPZLUZIJI-UHFFFAOYSA-N 438.241 4.344 5 20 IIBD CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)ccc1Cl 754827911 UNCNPEQPKDRIIW-UHFFFAOYSA-N 439.921 4.148 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CC(Cc2ccc(F)c(F)c2)C1 755024892 PHTQPVOAJPEZPF-UHFFFAOYSA-N 426.217 4.342 5 20 IIBD CN1C(=O)CC[C@H](COC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H]1c1cccc(Cl)c1 756289487 HEQHQFPMGQSWKR-VGSWGCGISA-N 430.888 4.334 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccccc1 757916283 SQZGFJDPCPLQDA-HNNXBMFYSA-N 435.274 4.170 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 759681638 XZZBDYWPOBHBSI-OAQYLSRUSA-N 425.510 4.144 5 20 IIBD O=C(Nc1cncc2ccccc12)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 759860895 AEGABNYOCOBZFJ-UHFFFAOYSA-N 449.444 4.163 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760521078 UQOLIYVZNOHIPW-UHFFFAOYSA-N 447.787 4.324 5 20 IIBD C[C@@H](C(=O)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 762318200 WZKYVAOYKQHEEF-WZONZLPQSA-N 432.476 4.342 5 20 IIBD CCOC(=O)Nc1ccc(Br)cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 764543452 GPMRTDIDYAIEEE-UHFFFAOYSA-N 426.198 4.317 5 20 IIBD O=C(Nc1nc(-c2cccnc2)ns1)c1cc(Br)cc([N+](=O)[O-])c1Cl 765219546 HYTKNFHDLIVELJ-UHFFFAOYSA-N 440.666 4.177 5 20 IIBD C[C@H](OC(=O)CCc1cncc2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 765566025 CLHXLYKUEMETQA-ZDUSSCGKSA-N 427.844 4.299 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NS(=O)(=O)c1cc(Cl)sc1Cl 765588602 RZBIMVQHOZLVHC-JTQLQIEISA-N 437.326 4.037 5 20 IIBD COc1c([N+](=O)[O-])cc(N[C@H]2CCOC3(CCCC3)C2)c([N+](=O)[O-])c1Br 767819832 PBGRZGDYCMBJKI-JTQLQIEISA-N 430.255 4.178 5 20 IIBD CC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@@H]1NC(=O)OC(C)(C)C 769485179 LQMBUEBYQLHLSQ-BBRMVZONSA-N 429.464 4.321 5 20 IIBD COc1ccc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc1OCc1ccncc1 777941104 AVDLNEGHDHAZNO-UHFFFAOYSA-N 429.379 4.308 5 20 IIBD O=C(Cc1csc(NC(=O)c2ccccc2)n1)OCc1ccc([N+](=O)[O-])cc1Cl 778091675 IGGWGVMNTSRVFZ-UHFFFAOYSA-N 431.857 4.243 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2COCCN2C(=O)OC(C)(C)C)no1 779574747 RTTZFZBCBPSOLW-WFASDCNBSA-N 436.490 4.140 5 20 IIBD O=C(Nc1ccc(CC[C@@H](O)c2ccccc2)cc1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 782007717 ZXEPEIGJYXYQMA-DNQXCXABSA-N 445.475 4.393 5 20 IIBD C[C@@H](OC(=O)C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1)c1ccccc1[N+](=O)[O-] 782859403 CAGYAXCYWQMJGB-IIBYNOLFSA-N 434.448 4.466 5 20 IIBD O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 783483142 NUYBTFSUURJEDJ-UHFFFAOYSA-N 437.283 4.469 5 20 IIBD COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Oc1ccc([N+](=O)[O-])c(Cl)c1 786843794 PNHQWMPBYVBYFR-JTQLQIEISA-N 436.269 4.083 5 20 IIBD O=C(COC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])Nc1c(F)cccc1F 787246791 KMNGTTVXGUYVGH-UHFFFAOYSA-N 442.374 4.248 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCc1ccc(OCc2ccccn2)cc1 790542924 MWDNLIOALSBOBU-UHFFFAOYSA-N 429.835 4.220 5 20 IIBD O=C(Cc1c[nH]c2cc(Br)ccc12)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 792035050 MVIAKBSWFCTQKG-UHFFFAOYSA-N 434.202 4.033 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccnc(Oc2ccc(F)cc2F)c1 792260766 HSFOYLBVTOQDCX-UHFFFAOYSA-N 431.307 4.326 5 20 IIBD O=C(NC[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1)OCc1ccccc1 794037702 LJYFJSHPOXQJQB-INIZCTEOSA-N 431.876 4.027 5 20 IIBD C[C@H](c1ccccc1)N1CC[C@@](F)(COC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 802146875 QECYQXQAFPPHIN-ZHRRBRCNSA-N 445.447 4.154 5 20 IIBD CN(C)C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1ccc(F)cc1 807786605 ICHBMIUKFPTFEX-CQSZACIVSA-N 444.688 4.183 5 20 IIBD CC(=O)c1ccc([N+](=O)[O-])cc1NCCC(=O)N(C)Cc1ccccc1Br 807972549 MPPFXKAWNXVPJI-UHFFFAOYSA-N 434.290 4.021 5 20 IIBD CN([C@H]1CCO[C@@H](c2ccc(F)cc2)C1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F 809830840 GEWUYVRXFMWBMG-SUMWQHHRSA-N 446.859 4.067 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1cccc(-c2nc(CC(F)(F)F)no2)c1 810742202 BMEFCBRSFSLGKV-RMKNXTFCSA-N 432.358 4.079 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)OCC(=O)c1ccc(C(F)(F)F)nc1Cl 811201342 JLJRKLHQLRHTCB-UHFFFAOYSA-N 437.157 4.284 5 20 IIBD O=C(Nc1ccc(-c2nnc3n2CCCCCC3)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 812036680 JRGXNUVMLFZLPR-UHFFFAOYSA-N 436.428 4.130 5 20 IIBD O=C(Nc1ccccc1O)C1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 813389033 RMHWGBWHUSVMNI-UHFFFAOYSA-N 438.267 4.098 5 20 IIBD Cc1cc(Cl)c(C(=O)O[C@H](C)C(=O)Nc2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] 815405554 AEISWVNFHARSQM-SNVBAGLBSA-N 428.775 4.342 5 20 IIBD Cc1cc(Cl)c(C(=O)OCC(=O)c2cc(C)n(-c3nccs3)c2C)cc1[N+](=O)[O-] 815405728 HLGJHSQPFRRABQ-UHFFFAOYSA-N 433.873 4.460 5 20 IIBD CC(C)(C(=O)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1ccccc1[N+](=O)[O-] 815767310 JVQGFUCVCAGCNX-GOSISDBHSA-N 430.810 4.092 5 20 IIBD COc1ccc(CCC(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1Cl 818174311 PCEWFCLYTLMMRP-NSHDSACASA-N 441.267 4.413 5 20 IIBD COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1C 884011573 JDGVPYAOVLRZNE-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD CCOc1ccc(N2C(=O)/C(=C/Nc3ccc([N+](=O)[O-])cc3O)c3ccccc3C2=O)cc1 912742064 FIJWMJIAQMXOMY-XSFVSMFZSA-N 445.431 4.339 5 20 IIBD O=C1/C(=C\NNc2cccc([N+](=O)[O-])c2)c2ccccc2C(=O)N1c1ccccc1Cl 912745264 XGDNNTNBGHEZIF-AQTBWJFISA-N 434.839 4.393 5 20 IIBD C[C@H](OC(=O)c1cc2ccsc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 914891465 PTSXIJUYTDFWGR-QMMMGPOBSA-N 427.360 4.340 5 20 IIBD COC(=O)c1ccc(COC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)o1 915171651 HVSGFAFBLRPNIM-UHFFFAOYSA-N 427.365 4.132 5 20 IIBD C[C@H](OC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1 917331188 NSPRIPWLZBTUAJ-JTQLQIEISA-N 437.330 4.159 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N(C)c2ccc(Br)cn2)CC1 917695908 QTFLKJFXIYUNAG-UHFFFAOYSA-N 433.306 4.265 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1cccc(C(=O)N2CCCCC2)c1 917962271 SCJXPBJVPUPVNJ-INIZCTEOSA-N 428.510 4.445 5 20 IIBD Cc1cc(-c2noc([C@@H](C)OC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)n2)ccc1F 919126983 IWINCGKMUFKFNT-CYBMUJFWSA-N 437.387 4.196 5 20 IIBD CCOc1ccc(OC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])cc1 919882867 GEAOFSISGGAJPY-UHFFFAOYSA-N 430.438 4.257 5 20 IIBD CC(C)(C)OC(=O)NCc1ccccc1CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 1262027855 RKQFJGUNPBDDKL-UHFFFAOYSA-N 440.500 4.124 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1319542526 RRUIAHBWJLELQF-CQSZACIVSA-N 443.301 4.182 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H]3CCCC[C@H]3N(C)C)c([N+](=O)[O-])c2)c(C)c1 1321708338 RNSHEOPZHDFCIS-TZIWHRDSSA-N 446.573 4.297 5 20 IIBD Cc1c(-c2nnc(-c3nn(Cc4ccccc4)c(=O)c4ccccc34)o2)cccc1[N+](=O)[O-] 1322068441 LNQLNTHNHQZTNP-UHFFFAOYSA-N 439.431 4.378 5 20 IIBD CC(C)CN(C(=O)COCc1ccncc1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 1325344419 ZZFDKXFOUHNUCG-UHFFFAOYSA-N 426.498 4.319 5 20 IIBD Cc1nc(C(=O)NC2(c3ccc(NC(=O)c4cc(F)cc([N+](=O)[O-])c4)cc3)CCC2)co1 1790696547 HRYPNSLQODFZKH-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD COc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@@]4(C)C[C@@H]4C)CCC3)cc2)ccc1[N+](=O)[O-] 1792165791 OITWZGSPQUJFBC-WNSKOXEYSA-N 437.496 4.397 5 20 IIBD CC(C)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)[nH]n1 1821926931 QRVPJPZJXKKLMY-FQEVSTJZSA-N 441.532 4.379 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2C2CC2)CC1 1824073182 VIERVMVOBARNEA-VSKRKVRLSA-N 443.519 4.013 5 20 IIBD CC(C)[C@H](C(=O)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1)c1ccc(Cl)cc1 1840964954 IPJMEACTEAYIKM-IBGZPJMESA-N 445.903 4.098 5 20 IIBD C[C@H](Sc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 8640355 LGODIVKLRWMXNL-VIFPVBQESA-N 448.501 4.030 5 20 IIBD C[C@H](Sc1nncn1-c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 11427490 DXVSDJCTXVGRLJ-NSHDSACASA-N 437.403 4.314 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 15408322 YYBXTKGUALJRSJ-UHFFFAOYSA-N 437.886 4.363 5 20 IIBD NC(=O)c1ccc(COC(=O)/C=C/c2cc(C(F)(F)F)ccc2Cl)c([N+](=O)[O-])c1 16117415 MIFWKVGCQQMWKF-ZZXKWVIFSA-N 428.750 4.123 5 20 IIBD Cc1nc(-c2ccccc2)sc1C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 17828184 KNGRBNNKQHNNSV-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD CCOc1cc(C(=O)O[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])cc1OC 19473712 GWCRSLVDLPFCTA-TWLOVUBOSA-N 431.485 4.333 5 20 IIBD Cc1csc(Sc2ccc(C(=O)O[C@H](C)C(=O)NCCC(C)C)cc2[N+](=O)[O-])n1 23968936 OLQHSLGRTRFKQJ-CYBMUJFWSA-N 437.543 4.219 5 20 IIBD CCOc1cc(CN(C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)ccc1OC(F)F 26455407 RGIBCPOEPOYUEY-UHFFFAOYSA-N 434.399 4.277 5 20 IIBD CCCCCCn1c(Sc2c([N+](=O)[O-])ncn2C)nc2sc3c(c2c1=O)CCC3 29165819 BFQPYBDDMRYFLS-UHFFFAOYSA-N 433.559 4.320 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cccc(C(=O)N2CCCCC2)c1 59580993 XHOKDIGFEXJYNC-UHFFFAOYSA-N 439.515 4.420 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)cc1C 60443593 AFPBCPGRBXPZAK-UHFFFAOYSA-N 439.921 4.052 5 20 IIBD COc1ccc(Br)cc1CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 64420046 LWUDLIGAXNGZGG-NSHDSACASA-N 425.304 4.163 5 20 IIBD COCCN(C(=O)CSCc1ccccn1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 64689603 ZPSQODGIHCFGSP-UHFFFAOYSA-N 444.538 4.026 5 20 IIBD O=C(Nc1cccc(F)c1F)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 65424121 SOGCEUAZWXHFNG-UHFFFAOYSA-N 430.333 4.246 5 20 IIBD COc1ccc(-c2ccc(CNCCc3cc(F)cc4c3OCOC4)o2)c([N+](=O)[O-])c1 237415985 AGAUHIKZOPDTIT-UHFFFAOYSA-N 428.416 4.201 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)cc1OC 303733612 FPKOQCPLSZHPEO-MJGOQNOKSA-N 441.528 4.127 5 20 IIBD Cc1c(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)cccc1-c1ncco1 427291343 FLAOSSPNUCDARX-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ncc(-c2ccc(Cl)cc2)s1 427481418 QQHDBGWDSZEHAI-NSHDSACASA-N 430.873 4.129 5 20 IIBD COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 429830626 XFOKRUHHTVDRQG-QGZVFWFLSA-N 449.301 4.187 5 20 IIBD Cc1cccc(C(=O)Nc2cc(O)c(Br)cc2Br)c1[N+](=O)[O-] 431457422 MBAULDXGHKVYKG-UHFFFAOYSA-N 430.052 4.386 5 20 IIBD CC(C)(NC(=O)Nc1ccc(N2CCOCC2)c2ccncc12)c1ccccc1[N+](=O)[O-] 432688032 BCFYJWZAFOZVPM-UHFFFAOYSA-N 435.484 4.036 5 20 IIBD COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])s2)cc1 433740277 ANPJIKFEBUVGAB-LLVKDONJSA-N 429.502 4.373 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 435382473 ACTNNGDCWUTFFD-GFCCVEGCSA-N 429.420 4.245 5 20 IIBD O=C(NCc1nn(-c2ccccc2)c2c1CCC2)c1ccc2[nH]c3ccccc3c(=O)c2c1 436064762 NIBRRUIUSVUYRQ-UHFFFAOYSA-N 434.499 4.286 5 20 IIBD COc1ccc(CCNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1OC(F)F 436363037 MTUGILOPPSFUEM-UHFFFAOYSA-N 438.430 4.264 5 20 IIBD O=C(N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 437475647 ULJHTDSDXUTHHD-JCNLHEQBSA-N 430.386 4.475 5 20 IIBD COc1cc(OCC(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)ccc1[N+](=O)[O-] 437513615 LRTNRSMLTSMDGW-UHFFFAOYSA-N 445.435 4.073 5 20 IIBD CCOc1cc(NC(=O)N(C)[C@H](C)Cc2ccccc2OC)c([N+](=O)[O-])cc1OCC 437609118 ZDRJTKSUSFOVRV-OAHLLOKOSA-N 431.489 4.496 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N2CCC[C@@H]2c2cccs2)cc1[N+](=O)[O-] 439250437 VQPPAZSLICBSCA-CYBMUJFWSA-N 431.333 4.253 5 20 IIBD Cc1c(NC(=O)C(=O)N2CCC(c3cccc(Br)c3)CC2)cccc1[N+](=O)[O-] 440088296 NCJANKJULSVXMF-UHFFFAOYSA-N 446.301 4.010 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N(C[C@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F 440421430 OVVVWUSKSBQOIL-HNNXBMFYSA-N 427.448 4.183 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3O 443003242 QTTLDEZAMMXZDS-JDBUXZRRSA-N 430.913 4.241 5 20 IIBD O=C(Nc1cnn(-c2cnc3ccccc3n2)c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 444290285 OMFQALYDPIABNE-UHFFFAOYSA-N 432.443 4.063 5 20 IIBD O=C(Nc1cccc(CN2CCCCC2=O)c1)c1sc(Br)cc1[N+](=O)[O-] 445189412 OWOLKSADPIPDDI-UHFFFAOYSA-N 438.303 4.184 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)Cc1noc(/C=C/c2ccccc2[N+](=O)[O-])n1 445313663 BETCYBHDYZDNEC-BQYQJAHWSA-N 428.832 4.300 5 20 IIBD C[C@H](CC1CCCCC1)c1nc(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)no1 445497837 HXBFDYNTNJDHGB-CYBMUJFWSA-N 430.461 4.004 5 20 IIBD O=C(N[C@H](c1ccc2c(c1)OCCO2)C1CC1)c1sc(Br)cc1[N+](=O)[O-] 446026412 RNXRFQTXJFXWIX-HNNXBMFYSA-N 439.287 4.071 5 20 IIBD CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 446406596 SBJQRVWDJHFZNZ-HNNXBMFYSA-N 439.468 4.127 5 20 IIBD CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 446541199 QRGZLAQLGFNVHK-FQEVSTJZSA-N 434.500 4.187 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2ccc(OC(F)F)cn2)cc1 446789082 BBBWSZFJQQJDKK-UHFFFAOYSA-N 445.378 4.322 5 20 IIBD C[C@@H](OCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccccc1 446936764 PCWKCHWHDNOYRE-CYBMUJFWSA-N 432.420 4.060 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(F)cc2)c(Br)c1 446946733 BEWXXOKHWBHLBM-OAHLLOKOSA-N 429.267 4.022 5 20 IIBD COc1ccc(-c2nnc(N3CCc4ccc([N+](=O)[O-])cc4C3)n2CC(C)C)cc1OC 460606234 JECXOTNHXWQUPY-UHFFFAOYSA-N 437.500 4.089 5 20 IIBD O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 461679503 IVFQSCJOXUGSHF-AVRDEDQJSA-N 429.517 4.220 5 20 IIBD Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464624784 AFGMBZLSUSOCFM-UHFFFAOYSA-N 440.887 4.426 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)N1CCOc2c(Cl)cc(Br)cc21 464669642 KLMSYFYQRYXCCT-UHFFFAOYSA-N 427.638 4.059 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCCO)N1CCC(F)(c2cccc(Cl)c2)CC1 467877875 GEZZGHXCZMFMTA-UHFFFAOYSA-N 438.908 4.434 5 20 IIBD CSCC[C@@H](CO)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 467917392 AJOIGDUQZLSKKQ-ZDUSSCGKSA-N 426.947 4.243 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCOc2ccc(Br)cc21 468212286 UXCFNJUNSGRACM-UHFFFAOYSA-N 431.164 4.415 5 20 IIBD CCCOc1cc(F)ccc1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 470880657 QWQWLYMPXIGSOI-UHFFFAOYSA-N 431.449 4.055 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl 471050703 RLLTVXRADUYYKA-UHFFFAOYSA-N 447.797 4.260 5 20 IIBD O=C(NCc1nc(COc2ccccc2)n[nH]1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 474573388 FVKMDENJXFWRON-UHFFFAOYSA-N 445.435 4.014 5 20 IIBD O=C(N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccc([N+](=O)[O-])c(O)c1 476533817 LCMTZHDVHXCMKD-KRWDZBQOSA-N 442.269 4.172 5 20 IIBD C[C@H](NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)c1ncon1 479620172 OEOWVYAQYBWVAY-LERPTODRSA-N 435.465 4.396 5 20 IIBD C[C@@H]1CN(Cc2ccccc2NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)O1 481639207 JWWBTGBFGKFSST-HZPDHXFCSA-N 446.935 4.222 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(C(=O)Nc3ccccn3)c2)cc1SC 483522246 FLENVKMUWRUUJT-UHFFFAOYSA-N 438.465 4.225 5 20 IIBD Cc1c([C@H](C)NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)cnn1C 484279725 GETBKTHPUIAEAX-ZDUSSCGKSA-N 427.892 4.393 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N=c1nc(-c2ccccc2Cl)[nH]n1C 484871840 OUDWGMWHTSIKBQ-UHFFFAOYSA-N 445.932 4.466 5 20 IIBD O=C1CCc2cc(NC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])c(F)cc2N1 485706294 SJSGJYMJEFTUBS-UHFFFAOYSA-N 435.411 4.450 5 20 IIBD COc1ccc(I)c(NC(=O)c2cccc(SC)c2[N+](=O)[O-])c1 486239529 LGNYZHJWNMMUQW-UHFFFAOYSA-N 444.250 4.182 5 20 IIBD Cc1ccc(NC(=O)N2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1Cl 486245358 ODAPVNLRKZJSOO-UHFFFAOYSA-N 437.283 4.200 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@@H]2CCCO[C@H]2c2ccc(C)cc2)c(C)c([N+](=O)[O-])c1 486874387 PMYLMGHVLCXBCQ-XLIONFOSSA-N 427.457 4.040 5 20 IIBD CCOc1ccc(C(=O)CCC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1F 487006085 HRIMFBUIVSNQRX-UHFFFAOYSA-N 442.365 4.431 5 20 IIBD CCn1c(SCC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)nnc1-c1cccs1 488099605 XPAPDIWPUZCDRZ-ZDUSSCGKSA-N 431.543 4.213 5 20 IIBD C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 488781849 IODFFSOGSGZALO-LLVKDONJSA-N 445.829 4.128 5 20 IIBD COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C 489050623 XHOAJJZLXUUZEM-SFHVURJKSA-N 435.864 4.195 5 20 IIBD CCn1c(S[C@@H](C)C(=O)c2ccc(NC(C)=O)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 489425968 AMHSIFCEPDZTEV-ZDUSSCGKSA-N 439.497 4.195 5 20 IIBD CCN(Cc1cnn(C)c1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 489748572 ZYUJAOLEMLQFRR-HXUWFJFHSA-N 427.892 4.184 5 20 IIBD Cn1cc(NC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)ccc1=O 490746868 PMTVHBRYKBWESD-UHFFFAOYSA-N 438.490 4.307 5 20 IIBD COc1cc(CNc2ccc(-n3cc(C)cn3)c(F)c2)c([N+](=O)[O-])cc1OCC(F)F 491032596 CBICJLOMCZANSH-UHFFFAOYSA-N 436.390 4.493 5 20 IIBD CCOc1c(OC)cc(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC 500177474 CTSDJMDHAFXOIA-UHFFFAOYSA-N 443.481 4.064 5 20 IIBD COc1cc(S(=O)(=O)N(Cc2ccccn2)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] 500475632 OADWNGOXQFWUFT-UHFFFAOYSA-N 433.873 4.047 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@@H](CO)CC2CCCC2)cc1[N+](=O)[O-])c1ccccn1 500503738 PIYDPJOKHWCTSF-WMZOPIPTSA-N 426.517 4.082 5 20 IIBD COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] 501064253 PEUXYZIYKZNOAH-SFHVURJKSA-N 440.283 4.076 5 20 IIBD COc1cc(C(=O)NCCCc2c[nH]c3ccc(F)cc23)c([N+](=O)[O-])cc1OC(F)F 501970852 ACHRLDXGEMQPQG-UHFFFAOYSA-N 437.374 4.188 5 20 IIBD Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(OCc2ccccc2)c1 502692619 DCIYERHUZWDJMW-KRWDZBQOSA-N 433.464 4.298 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCC(n4cc(Cl)cn4)CC3)cc2[N+](=O)[O-])CC1 503227208 BRRQYFHKHSZZHU-UHFFFAOYSA-N 431.924 4.158 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)cc1 503248845 WSMGWCAERIENJL-FQEVSTJZSA-N 431.901 4.047 5 20 IIBD O=C1[C@H](N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)CCN1c1cccc([N+](=O)[O-])c1 504408143 MFMZUMZFOXBWHV-YADHBBJMSA-N 436.899 4.322 5 20 IIBD C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccc(-n2cccn2)c(F)c1 505192566 XGPAACDCVCLWFR-GFCCVEGCSA-N 447.264 4.102 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1 505220616 YMQVMTUXWPHEHM-VIZZQPHQSA-N 434.876 4.337 5 20 IIBD O=C(COc1c(Cl)cncc1[N+](=O)[O-])NCCC(c1ccccc1)c1ccccc1 506593529 JHIZJYYHLSATQX-UHFFFAOYSA-N 425.872 4.360 5 20 IIBD CCOC(=O)CN(C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)c1ccc(F)cc1 510615855 MWEIMXKMPFCYRJ-UHFFFAOYSA-N 439.237 4.015 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(N[C@@H](C[C@@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])c1 513099552 XGJQBFSCMSAIGE-UWJYYQICSA-N 447.557 4.205 5 20 IIBD O=C(c1ccccc1[N+](=O)[O-])N1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)CC1 515246759 CEEOPZIYCSTPBK-UHFFFAOYSA-N 441.915 4.045 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)cc([N+](=O)[O-])c1 515820457 LEIHCFVBNUFXMA-UHFFFAOYSA-N 443.799 4.132 5 20 IIBD C[C@@H](CNCc1ccc(Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1)N1CCN(C)CC1 517545626 WGABZDLNGQKTSY-IBGZPJMESA-N 440.588 4.410 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)cc1C 520617032 KBYPIIFWTQZBND-AWEZNQCLSA-N 445.541 4.193 5 20 IIBD COc1ccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1NC(=O)C1CCCCC1 522515022 YWNAXTCXFJAMRA-UHFFFAOYSA-N 447.513 4.231 5 20 IIBD Cc1cc(S(=O)(=O)N(C)CC2(c3ccc(Br)cc3)CC2)ccc1[N+](=O)[O-] 524944779 SVAYESZPKJPZLZ-UHFFFAOYSA-N 439.331 4.018 5 20 IIBD Cc1ccc(-n2nc(C)cc2NC(=O)COc2ccc(Br)cc2[N+](=O)[O-])cc1 525627631 CMJVUAZJOYBHFR-UHFFFAOYSA-N 445.273 4.177 5 20 IIBD CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 531179217 QWFJFIAIQRHEDA-CVOJIUGNSA-N 429.542 4.017 5 20 IIBD CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 531204584 YLNFAEJXBAPONP-SJORKVTESA-N 426.517 4.063 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1nccn1Cc1ccc(Br)cc1 531279631 HGOXILTUZUHEIB-UHFFFAOYSA-N 429.274 4.173 5 20 IIBD COc1cc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)ncc1Br 534264296 ATTSVSHQRSZENX-UHFFFAOYSA-N 435.259 4.137 5 20 IIBD CC[C@@H](c1ccncc1)N(CC)C(=O)c1cc(I)cc([N+](=O)[O-])c1 534289789 MTIFNPYBUZGZMK-INIZCTEOSA-N 439.253 4.208 5 20 IIBD COc1ccc(CN(C)C(=O)CSCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 536302909 STMPEYPKPNTYTE-UHFFFAOYSA-N 427.482 4.150 5 20 IIBD CCc1nc2ccccc2n1C1CCN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CC1 537871461 FPVPQQZJAKOKQR-UHFFFAOYSA-N 437.500 4.062 5 20 IIBD CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 538336138 SZZKCNJQQLXVSA-IVZQSRNASA-N 440.475 4.102 5 20 IIBD COc1ccc([C@H](C)N[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 539229823 QWEGKRLIUUZVPT-UONOGXRCSA-N 426.498 4.405 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1 539843639 INKTXPVQKRIXKO-IBGZPJMESA-N 425.529 4.150 5 20 IIBD CCc1nn(C)c(OC)c1CNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 540127156 JHKCPXPEBOXQNZ-UHFFFAOYSA-N 425.445 4.013 5 20 IIBD Cn1cnnc1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 541680540 DUPBKISZVQLHBQ-UHFFFAOYSA-N 429.546 4.025 5 20 IIBD CCc1ccc([C@@H](NC2CCN(C(=O)CC(F)(F)F)CC2)c2ccc([N+](=O)[O-])cc2)o1 543422375 AUQKGEOJBNSVER-FQEVSTJZSA-N 439.434 4.373 5 20 IIBD NC(=O)c1cccc(Cc2noc(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)n2)c1 544245062 VZKNSOQJWZJELJ-UHFFFAOYSA-N 432.461 4.486 5 20 IIBD Cc1ccc(-c2noc(-c3cccc(NS(=O)(=O)c4cccs4)c3)n2)cc1[N+](=O)[O-] 545572339 ZQSRFVKUXQEMND-UHFFFAOYSA-N 442.478 4.483 5 20 IIBD CC[C@H](C)Oc1ccc(-c2noc(CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)n2)cc1 545748121 SJDQGMCUQZUDBT-AWEZNQCLSA-N 438.440 4.363 5 20 IIBD CS(=O)(=O)c1cc(-c2nc(CCc3c(Cl)cccc3Cl)no2)cc([N+](=O)[O-])c1 547208989 XTFBAGKKIGBULM-UHFFFAOYSA-N 442.280 4.140 5 20 IIBD CC(C)OC[C@@H]1CN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CCO1 548111513 XWYSKHVUVNQVBM-SFHVURJKSA-N 447.919 4.126 5 20 IIBD COC(=O)C[C@@](C)(NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1cccc(OC)c1 549609827 BSOHAFWDPJARAE-LJQANCHMSA-N 426.391 4.190 5 20 IIBD CN(Cc1cccc(F)c1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCO1 549657908 XLWZDAFIAPDIPG-HXUWFJFHSA-N 425.464 4.198 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCCc2ccc3n[nH]cc3c2)cc1[N+](=O)[O-])c1ccccn1 552031374 ZNDJCVWXIHUJBU-OAHLLOKOSA-N 430.468 4.012 5 20 IIBD Cc1c(NC(=O)C(=O)NCc2ccc3sccc3c2)cc(Br)cc1[N+](=O)[O-] 555050648 MCTCTZANBPMNKG-UHFFFAOYSA-N 448.298 4.135 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCc1nccn1CCc1ccccc1 555853542 JPMOVBRDTYMTCO-UHFFFAOYSA-N 443.301 4.035 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)c1ncon1 557015802 PUGPQDKCFDXRLM-GOSISDBHSA-N 429.864 4.370 5 20 IIBD CC(C)N(C)c1cnn([C@H]2CCCN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C2)c(=O)c1 557700342 ILIVKGYCUCTYOA-AWEZNQCLSA-N 440.331 4.144 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)cs2)c1 558763420 VUGFEAHUHNIHQH-UHFFFAOYSA-N 446.510 4.067 5 20 IIBD O=C(CN[C@H](c1cncc(Br)c1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl 560175346 SJIVPLDSGOXZNZ-KRWDZBQOSA-N 439.697 4.085 5 20 IIBD CCOc1cc(C(=O)NC[C@@H]2CCCCN(Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC 565630956 LHZRQJNXILIJKW-IBGZPJMESA-N 441.528 4.034 5 20 IIBD O=C([C@@H]1CCC[C@H]2CCCC[C@@H]21)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 566753747 AYHQCDMYSLVHKC-NZSAHSFTSA-N 425.533 4.116 5 20 IIBD CCO[C@H](C)c1nc(CN2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3CC)CC2)cs1 569533738 ACQCRLLQJKTMDF-OAHLLOKOSA-N 447.561 4.061 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 575076229 JLYZNSISSJKVCD-AWEZNQCLSA-N 447.333 4.016 5 20 IIBD CCOc1ccc(C(=O)N2CCCCC2)cc1NCc1cc(C(=O)OC)ccc1[N+](=O)[O-] 589503209 VJVIIHVQMXKNOF-UHFFFAOYSA-N 441.484 4.018 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(NC(=O)c2ccccc2)c1C 603982830 BRUBRBHPKKOFDO-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD COc1cc(CNc2cnn(Cc3ccccn3)c2)c([N+](=O)[O-])cc1OCc1ccccc1 608982795 ZHBBAPHBEJFUTA-UHFFFAOYSA-N 445.479 4.434 5 20 IIBD CC[C@@H](C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1cccc(N2CCCC2)c1 609173973 CDQFPTCBZWIBSK-VFNWGFHPSA-N 442.491 4.117 5 20 IIBD CSc1ccc(C(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)cc1[N+](=O)[O-] 609646484 CZXXHDNBKRWJCS-CQSZACIVSA-N 425.432 4.344 5 20 IIBD Cc1cc(OCc2ccccc2)ccc1NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 609755583 NWMMQWHAYQQWBJ-UHFFFAOYSA-N 433.420 4.029 5 20 IIBD COC(=O)[C@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccccn1 610254595 ARJZJTIGPURVIV-LJQANCHMSA-N 441.827 4.080 5 20 IIBD CN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 610955530 ANNKYBBORFFQAI-UHFFFAOYSA-N 442.337 4.453 5 20 IIBD CC[C@@H](C)n1ncc(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c1C1CC1 611193006 GOZVPWKXJMPIRN-SNVBAGLBSA-N 443.323 4.203 5 20 IIBD C[C@H](C(=O)Nc1cccc(NS(=O)(=O)c2ccccc2)c1)c1cccc([N+](=O)[O-])c1 617700123 MUVBDWWAHGLRFB-HNNXBMFYSA-N 425.466 4.138 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 619758428 USWQEJHCGVKKFW-KRWDZBQOSA-N 436.434 4.076 5 20 IIBD COc1cc(C(=O)OCc2coc(-c3ccc(Br)cc3)n2)ccc1[N+](=O)[O-] 725944586 DENDWMIUWDCUCG-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD O=C(OCc1nn(-c2ccccc2)c2c1CCC2)c1cc([N+](=O)[O-])ccc1Br 725984993 YLCJWBWCKRSYPE-UHFFFAOYSA-N 442.269 4.389 5 20 IIBD CC(=O)N(c1ccccc1)c1nc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cs1 727174992 CAOXGSAOEBHBHY-UHFFFAOYSA-N 437.525 4.058 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)cc1 727431145 KSULUSULTVCUQQ-UHFFFAOYSA-N 440.500 4.213 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1[N+](=O)[O-] 728396881 DUHQPCHFVDGZSF-UHFFFAOYSA-N 435.318 4.268 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N2CCCc3cc(Br)cc(F)c32)cc1[N+](=O)[O-] 728705478 QNJFETPDPRDDQQ-UHFFFAOYSA-N 438.209 4.306 5 20 IIBD CC(C)Sc1ccc([C@H](C)NC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cc1 728832386 MFLFEXHWZJIRJN-HOCLYGCPSA-N 445.516 4.465 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)no1 730859373 OBKOWLDHGYGRQV-UHFFFAOYSA-N 449.341 4.373 5 20 IIBD CCCc1cc(=O)oc2cc(Oc3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])ccc12 731916135 LBLNSJNMCOACIF-UHFFFAOYSA-N 439.392 4.442 5 20 IIBD Cc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1 732148726 XCNYYWBJBYSBIM-UHFFFAOYSA-N 438.871 4.176 5 20 IIBD COc1cc(C)sc1C(=O)O[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 733839511 ITAMAAHSNXTSMS-NSHDSACASA-N 447.494 4.281 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(N[C@@H](c2ccccc2)C2CCOCC2)c([N+](=O)[O-])c1 734484653 CZSMRGIQVBCCGJ-QFIPXVFZSA-N 447.557 4.205 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)c2sc3cc(F)ccc3c2Cl)ccc1[N+](=O)[O-] 734737759 VIEMATKLYHXNTJ-UHFFFAOYSA-N 428.850 4.029 5 20 IIBD CCc1cccc(CC)c1NC(=O)[C@@H](C)OC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 735352969 QVMUEXBWIRIYLG-CYBMUJFWSA-N 437.452 4.157 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCNC(=S)N[C@H]1CCOc2ccccc21 741478607 KIXDGURUWIWVEP-AWEZNQCLSA-N 440.447 4.013 5 20 IIBD O=Cc1ccc(OCC(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)c([N+](=O)[O-])c1 742111167 HMSYRZUFTIMORW-UHFFFAOYSA-N 436.386 4.043 5 20 IIBD O=[N+]([O-])c1ccc(CN(c2ccccc2)S(=O)(=O)c2c(Cl)nc3sccn23)cc1 743342078 BBCBRCMLWSGDIZ-UHFFFAOYSA-N 448.913 4.353 5 20 IIBD COc1cc(N2CCC(OC(=O)c3ncoc3-c3ccc(C)cc3)CC2)ccc1[N+](=O)[O-] 744176165 ZPMQMYIIDKXPTM-UHFFFAOYSA-N 437.452 4.393 5 20 IIBD Cc1c(C(=O)N2CCC(N3c4ccccc4C[C@H]3C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748725614 CAEXCWAZMLPOLX-CQSZACIVSA-N 438.484 4.176 5 20 IIBD Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(F)c1 750428053 CFPKJTSZQSECNJ-GFCCVEGCSA-N 429.429 4.350 5 20 IIBD Cc1nc(-c2ccccc2)oc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 750942738 AXSPXCQIAIVVPE-GFCCVEGCSA-N 429.816 4.396 5 20 IIBD O=C(NCc1ccc(F)cc1Br)c1cc([N+](=O)[O-])ccc1Br 751102037 DAIRFWVQYZWWHH-UHFFFAOYSA-N 432.043 4.189 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCC(OC[C@@H]4CCCO4)CC3)c([N+](=O)[O-])c2)cc1 751238179 BAPAQJRYDXTCGB-NRFANRHFSA-N 439.512 4.320 5 20 IIBD O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCC(OC[C@@H]2CCCO2)CC1 751420076 VXFCFEBZEMYNTM-NRFANRHFSA-N 439.512 4.007 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 753810173 QDQQSXPJVYYWDD-HNNXBMFYSA-N 437.265 4.318 5 20 IIBD COc1cc(C(=O)N[C@@H]2CCOc3c2ccc(Cl)c3Cl)c([N+](=O)[O-])cc1OC 754476793 BEJAXUOGRBUBQE-GFCCVEGCSA-N 427.240 4.172 5 20 IIBD Cc1cccc(Cl)c1NC(=O)COC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 757704598 IKWRZBLECJKLTC-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1Br 758348454 VSUXPZZPAGJUQL-GFCCVEGCSA-N 444.326 4.171 5 20 IIBD CN(C(=O)c1cccc(C(=O)O[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1)c1ccccc1 759954172 YEHIUACFSSHUMZ-RTWAWAEBSA-N 448.479 4.409 5 20 IIBD CN(C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccc(Cl)cc1 760839518 ZKCPMRNKMPMWOT-HNNXBMFYSA-N 426.698 4.043 5 20 IIBD CC[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@H]1NC(=O)OC(C)(C)C 760886229 PTGHRSXQWPCACB-DNVCBOLYSA-N 430.505 4.375 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 761488828 BJSCAZXRGUZRBY-KRWDZBQOSA-N 446.459 4.420 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2ccc([N+](=O)[O-])c(Cl)c2)cc1 761520367 CNSUFJOVIDLUFD-AWEZNQCLSA-N 425.938 4.130 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)N1CCC[C@@H](C2OCCO2)C1 764093109 ZJKSYVAKIPWQQT-MRXNPFEDSA-N 445.903 4.085 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2[C@@H](NC(=O)OC(C)(C)C)CCC[C@H]2C1 765112619 GFLIEEPAFFWIPY-JYRKZWEQSA-N 445.560 4.315 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCO[C@H](c2ccc(Br)cc2)C1 765483199 KJIZHQMPRDPXPY-INIZCTEOSA-N 425.666 4.224 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 765497101 PPQORVGEQPMBBA-WMZOPIPTSA-N 433.549 4.315 5 20 IIBD C[C@H](Sc1nnc(Cc2ccccc2F)o1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 768362638 AMZRXOPCYZLLFY-JTQLQIEISA-N 436.852 4.480 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 769423610 UXNMYSGJSRFHJN-KBPBESRZSA-N 442.354 4.483 5 20 IIBD C[C@@H](CN(C)C(=O)OC(C)(C)C)c1noc(-c2cc(Br)cc([N+](=O)[O-])c2)n1 769866076 MPAGXSLBXMUDCK-JTQLQIEISA-N 441.282 4.378 5 20 IIBD CN(C)c1ccc(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Br)CC2)cc1 774082559 GZXYEFXXXFTQAR-UHFFFAOYSA-N 432.318 4.443 5 20 IIBD Cc1cc(C(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)cc(O)n1 777287955 PUYMEBYFIYIXFQ-UHFFFAOYSA-N 427.800 4.129 5 20 IIBD COc1cc(OC)c(NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1Br 777604303 JJTLHQFWNSFWSH-UHFFFAOYSA-N 435.234 4.037 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])O[C@H]([C@H]1CCOC1)C(F)(F)F 778033492 YVCBIXZIIJXRJO-ISVAXAHUSA-N 433.326 4.216 5 20 IIBD Cc1nc(-c2ccccc2)oc1C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 779209506 XCYKUKORCNBHOD-QGZVFWFLSA-N 435.436 4.020 5 20 IIBD CC(C)(C)OC(=O)N1CCOC[C@@H]1c1noc(-c2ccc3[nH]c4ccccc4c(=O)c3c2)n1 780353178 AAKZRZRYMSEFJF-LJQANCHMSA-N 448.479 4.040 5 20 IIBD Cc1cc(C(F)(F)F)nc(Oc2cc([N+](=O)[O-])ccc2I)n1 780591964 FOUGJXPFLSTUJC-UHFFFAOYSA-N 425.104 4.109 5 20 IIBD C[C@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC[C@H]1NC(=O)OC(C)(C)C 780776099 LNWLKLSEZWAVNV-HNAYVOBHSA-N 435.524 4.057 5 20 IIBD O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781798170 MLYZAARJURYCOH-NVXWUHKLSA-N 425.338 4.037 5 20 IIBD Cc1nn(CN2CCC(c3ccccc3Br)CC2)c2ncc([N+](=O)[O-])cc12 783983995 CDVYLFOQPGCKNU-UHFFFAOYSA-N 430.306 4.248 5 20 IIBD C[C@@H]1CN(c2ccc(NC(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)cc2)CCO1 785817211 BBOFKFYQHNLYJI-CYBMUJFWSA-N 438.406 4.160 5 20 IIBD CC(C)(C)C(=O)NC1CCC(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 789430440 KEGSOHKFTKJKOS-UHFFFAOYSA-N 429.473 4.014 5 20 IIBD CCN1CCN(c2ccc(NC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])c(C)c2)CC1 790488615 MRQAIACMZRMMRI-UHFFFAOYSA-N 434.899 4.019 5 20 IIBD CCOC(=O)/C(=C/C1=Cc2cc(Br)ccc2OC1)c1ccc([N+](=O)[O-])cn1 791428934 WCMMBGWKBREGEU-LZYBPNLTSA-N 431.242 4.175 5 20 IIBD COC(=O)Nc1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(C(F)(F)F)c1 792020199 SFZUKKKIRDYTPX-UHFFFAOYSA-N 443.290 4.057 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCO[C@H](c3ccccc3Br)C2)c1 798322952 NSTSTVWFTIJECI-IBGZPJMESA-N 449.301 4.035 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccc(-c2csc(C)n2)cc1 799518242 HEOUVZAKISSOJC-LBPRGKRZSA-N 441.465 4.219 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1 800052448 XMHBXAPPZHRXBA-UHFFFAOYSA-N 428.388 4.373 5 20 IIBD COCCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@@H](C)c1cccc(C(F)(F)F)c1 801855459 JLTIVBJEJGOSAI-NSHDSACASA-N 429.370 4.185 5 20 IIBD CC(C)[C@@H](C(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)N(C)C 803697005 FNVXPSMQIYKWEX-OALUTQOASA-N 433.892 4.057 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(F)c(C(F)(F)F)cc2F)c([N+](=O)[O-])c1 805594989 VFLTZZLALRSKKZ-MRVPVSSYSA-N 448.300 4.084 5 20 IIBD C[C@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccc(SCC(=O)N(C)C)cc1 809071026 TUXZEDUBDMKVET-HNNXBMFYSA-N 430.526 4.357 5 20 IIBD C[C@@H](N[C@@H]1c2ccccc2CC12CCOCC2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 810080196 XMHIFWWHMWMVOM-JLTOFOAXSA-N 429.904 4.259 5 20 IIBD CC(C)CCN(C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C1CCCC1 810392447 AZMRHIPHGDCIPE-UHFFFAOYSA-N 426.311 4.113 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc(-c2ccco2)nn1-c1ccccc1 811747297 VSJKVLSEKTYHNF-UHFFFAOYSA-N 446.419 4.144 5 20 IIBD CC(C)(C)OC(=O)N1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])c2ccccc21 813279732 CXYONQZMEBVBRW-UHFFFAOYSA-N 427.457 4.152 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ccc(N2CCCOC2=O)cc1 817312474 FCBXGKOWGCVFEO-SJLPKXTDSA-N 425.485 4.388 5 20 IIBD O=C(COC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)Nc1ccc(Cl)cn1 846718010 LBVTVWALWUYYJG-UHFFFAOYSA-N 440.843 4.051 5 20 IIBD CC(C)[C@@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@@H]1CCOc2ccccc21 877031411 QVIFBDDELHSLNL-VQIMIIECSA-N 432.860 4.070 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)NCc2ccccc2-c2ccc(CN(C)C)cc2)cc1[N+](=O)[O-] 881444302 KGLMEYIUHMPYEV-UHFFFAOYSA-N 448.479 4.470 5 20 IIBD CCc1ccc(-c2noc([C@H]3CCCCN3S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 904573541 GMKVRMTUGLTNLD-LJQANCHMSA-N 442.497 4.123 5 20 IIBD Cc1ccc(C(=O)N2CCC[C@H](C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)C2)cc1 914781167 ICCHKXAUBHCBKH-KRWDZBQOSA-N 429.904 4.067 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@H]1COc1ccc(Cl)cc1 915856507 PKGDNZHHKPICBH-IBGZPJMESA-N 426.860 4.118 5 20 IIBD O=C(OCc1cccc([N+](=O)[O-])c1)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1 916607003 YHJNDVFWQFXLBH-UHFFFAOYSA-N 448.403 4.031 5 20 IIBD Cc1c(C(=O)O[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] 919225408 DORQPBVZVCQXAG-SECBINFHSA-N 442.211 4.302 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c([N+](=O)[O-])c1 919447682 VFHSGVTWFDXVIS-HZPDHXFCSA-N 444.484 4.373 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O[C@@H](C(=O)N1CCCCC1)c1ccccc1 920776587 AEKIPCRGUIBVJU-MGPUTAFESA-N 446.887 4.313 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 920806217 QFICKEAXVDDCBF-SNVBAGLBSA-N 428.228 4.236 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H](C)CC(=O)OC(C)(C)C)cc1 1116056372 ZFOKCBZXCTZCJK-AWEZNQCLSA-N 430.457 4.246 5 20 IIBD Cc1ccc(NCCCNC(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c([N+](=O)[O-])c1 1116117154 CQUOSSJWSANMPG-KRWDZBQOSA-N 436.516 4.171 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2 1117805974 OFWWJWLELINHIY-UHFFFAOYSA-N 430.464 4.021 5 20 IIBD O=C([C@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1)N1Cc2ccc([N+](=O)[O-])cc2C1 1319208964 PXJAKVUYNFARKU-JLXOPUERSA-N 439.899 4.185 5 20 IIBD Cn1nc(-c2ccco2)cc1NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 1321018391 AWKAJAPUKZJGEW-UHFFFAOYSA-N 447.238 4.333 5 20 IIBD O=C(N[C@H]1COc2c(F)cc(F)cc2C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 1336190867 QMZYFQHXWPTXSR-QGZVFWFLSA-N 440.402 4.186 5 20 IIBD Cc1ccc(NS(=O)(=O)c2cccc(-c3nnc(-c4cccc([N+](=O)[O-])c4)o3)c2)cc1 1341224638 WNRRGHYLHGOFQI-UHFFFAOYSA-N 436.449 4.421 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1)c1cc(C(F)F)no1 1785747675 FTYZRFFPGAQPON-UHFFFAOYSA-N 446.366 4.175 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1)c1c[nH]c2nccc-2c1 1785748994 VQWGTZZZFFPBJX-UHFFFAOYSA-N 445.435 4.077 5 20 IIBD O=C(Cc1cc([N+](=O)[O-])ccc1F)Nc1ccc(C2(NC(=O)C3CCC3)CCC2)cc1 1786672773 NOODJDHJVUTRTB-UHFFFAOYSA-N 425.460 4.211 5 20 IIBD Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])[nH]4)CCC3)cc2)n1 1786738444 STNRWKXPPNGHDP-UHFFFAOYSA-N 447.495 4.007 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3cnc(Cl)s3)cc2)CCC1)c1ccc([N+](=O)[O-])o1 1789860670 BSYWYXFFIAWNQD-UHFFFAOYSA-N 446.872 4.359 5 20 IIBD CO/C=C(\C)C(=O)NC1(c2ccc(NC(=O)c3cccc(F)c3[N+](=O)[O-])cc2)CCC1 1790701018 JCNOSVOAMNLZPM-BUHFOSPRSA-N 427.432 4.032 5 20 IIBD O=C(CCC1CCC1)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)[nH]n1 1815051774 TZALBLJVDXWJJT-IBGZPJMESA-N 443.479 4.343 5 20 IIBD CCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])n[nH]1 1823503994 YAHFAAFYCNPVQU-HYSAVQALSA-N 439.516 4.460 5 20 IIBD Cc1occc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1825909511 NGXHTXNZRBPJBY-NRFANRHFSA-N 443.475 4.182 5 20 IIBD Cc1cccc(C)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 1829834719 GDZCLXUQKKHXOM-HXUWFJFHSA-N 438.528 4.087 5 20 IIBD CSCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 1847844308 WYKSXHLOBCICHR-HOTGVXAUSA-N 447.582 4.014 5 20 IIBD O=C(COC(=O)COc1ccc2ccccc2c1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 10593367 JTEXQKNEMDFKAJ-UHFFFAOYSA-N 448.353 4.328 5 20 IIBD Cc1cc(Br)c(NC(=O)COc2ccccc2[N+](=O)[O-])c(Br)c1 11037482 MQMUYJWRAVUTBL-UHFFFAOYSA-N 444.079 4.446 5 20 IIBD Cc1ccc(-c2cnc(CCC(=O)OCC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])o2)cc1 11643727 BOBCUTBWNKWEAP-UHFFFAOYSA-N 443.843 4.326 5 20 IIBD Cc1nc(-c2ccccc2)sc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 17828224 ZXULFBPYZGMNNX-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD Cc1cc(C(=O)N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)ccc1[N+](=O)[O-] 24917369 AGVOOUJHIUHCHX-UHFFFAOYSA-N 440.500 4.124 5 20 IIBD COCc1ccc(CNc2ccc(C(=O)c3ccccc3C(=O)OC)cc2[N+](=O)[O-])cc1 25577048 RLVFEPJUXZOWJE-UHFFFAOYSA-N 434.448 4.371 5 20 IIBD COCCOc1ccc(C(F)(F)F)cc1N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 27172847 HXRNQYZTJNBVFO-LBPRGKRZSA-N 427.379 4.078 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)[C@H](C)C(C)(C)C)cc2)cc1[N+](=O)[O-] 31408015 GESLKRJHUASLNH-OAHLLOKOSA-N 433.530 4.211 5 20 IIBD COc1c(C)cnc(CN(C)C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1C 58958618 OBFBICOBYKLOOH-UHFFFAOYSA-N 426.517 4.124 5 20 IIBD CS(=O)(=O)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1 63983003 ZWIIRGBLGGWXJG-UHFFFAOYSA-N 439.493 4.004 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NCc1ccccc1[N+](=O)[O-] 64421084 CNJFAJWWXIOUCW-UHFFFAOYSA-N 430.439 4.446 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)Nc3cccnc3-n3cncn3)cc2[N+](=O)[O-])cc1 64947586 RTKWUGIWEDJQSQ-UHFFFAOYSA-N 432.465 4.282 5 20 IIBD COc1cc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)ccc1NC(C)=O 65072112 CAZGHUZSMDGEFZ-CQSZACIVSA-N 449.467 4.382 5 20 IIBD O=C(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)Nc1c(Cl)cc(Cl)cc1Cl 72086061 CQWSVOJIIJARQG-UHFFFAOYSA-N 426.647 4.452 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCCc2ccc(-c3csc(C)n3)cc2)cc1OC 105149692 ADNHYLWLUZBYFE-UHFFFAOYSA-N 441.509 4.407 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCc3nc(C)c(C)o3)c([N+](=O)[O-])c2)c(C)c1 301074120 HQSRRGBAEOKOAP-UHFFFAOYSA-N 430.486 4.229 5 20 IIBD Cc1ccc(C(=O)Nc2cccc(CNc3cc4ncnc(O)c4cc3[N+](=O)[O-])c2)cc1 301076568 ISXYNIIJLZHNKH-UHFFFAOYSA-N 429.436 4.416 5 20 IIBD CO[C@@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1cccc(Cl)c1 301469779 OCRYHTYGLFKBLA-KRWDZBQOSA-N 435.267 4.247 5 20 IIBD CC(C)(CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1cccc(Cl)c1 303421257 CTFZUBCZDIRJKP-OAHLLOKOSA-N 435.933 4.008 5 20 IIBD C[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(-n2cccn2)c1 426030399 OEVCEEMDTRVASL-ZDUSSCGKSA-N 433.390 4.360 5 20 IIBD C[C@@H](NC(=O)N1CCN(C(=O)c2cc3ccccc3s2)CC1)c1cccc([N+](=O)[O-])c1 434133035 BTZNHFKFFZVYBE-OAHLLOKOSA-N 438.509 4.038 5 20 IIBD CN(CCCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)C1CCCCC1 435872085 MSRKLCVJDYERJC-UHFFFAOYSA-N 427.495 4.344 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCCN(Cc2ccccc2)CC1 435950583 RQWSMRPYUMSEHT-UHFFFAOYSA-N 429.495 4.169 5 20 IIBD COC(=O)c1cccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1C 439221459 HRASVRYWROXTQC-UHFFFAOYSA-N 440.477 4.085 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1)N(C[C@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F 440442177 JGYKYZYVAAVGJF-IBGZPJMESA-N 435.446 4.050 5 20 IIBD COc1cc(OC)cc(OCCCN(C)C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 440727611 CWHHHSAANLSBDT-UHFFFAOYSA-N 442.390 4.172 5 20 IIBD C[C@@H]1C[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCN1Cc1ccccc1 444163927 DFSSMTCFJFJUPL-WIYYLYMNSA-N 425.532 4.464 5 20 IIBD COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1 444297144 IIDLYZODFSFLOV-JBEBIEQOSA-N 434.467 4.335 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)NC[C@@H](Cc1ccccc1)c1ccccc1 445107105 FMHPZYJQRDOEPK-LJQANCHMSA-N 429.480 4.297 5 20 IIBD Nc1ncncc1-c1noc(-c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)n1 445464544 UXHGUAUEHFREDS-UHFFFAOYSA-N 449.477 4.445 5 20 IIBD CC(C)(C)OC(=O)Cc1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 446114168 QGRKQADSDAWKKH-UHFFFAOYSA-N 449.301 4.423 5 20 IIBD Cn1cc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc(Br)c1=O 446482642 VDWLWJNTBYNWNF-UHFFFAOYSA-N 443.257 4.052 5 20 IIBD Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)sc1Cc1ccc(F)cc1F 446951097 SDJDMGKEOOMYGY-UHFFFAOYSA-N 425.438 4.030 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(NC(=O)c2ccccc2)nc1 460288667 KBFMEVSYGDESAT-UHFFFAOYSA-N 448.482 4.441 5 20 IIBD O=[N+]([O-])c1cccc(CN(c2nnc([C@@H]3CCCO3)n2Cc2cccs2)C2CC2)c1 461507190 LZXSIUCBBJPXON-IBGZPJMESA-N 425.514 4.317 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCOC1 461594572 GYDKMUYFVSOCDH-MRXNPFEDSA-N 441.919 4.222 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC(n2cc(Br)cn2)CC1 463768229 HLLUFWBCSXHSLI-UHFFFAOYSA-N 447.211 4.050 5 20 IIBD CC[C@H](C)Oc1cc(C)ccc1CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] 465051699 CMGYMPHFCLSUAC-KRWDZBQOSA-N 427.501 4.165 5 20 IIBD O=C(Nc1ccc2cccc(Br)c2n1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 465067657 DFPXAQSYSWSDCJ-UHFFFAOYSA-N 438.241 4.344 5 20 IIBD CSc1ccc([C@@H](C)NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 466681396 ZTZQADMMLJKBMW-GFCCVEGCSA-N 429.527 4.087 5 20 IIBD C[C@H](Oc1ccccc1NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-])c1ccccc1 467987463 BPCULGNNRUNQNU-KRWDZBQOSA-N 433.464 4.032 5 20 IIBD O=C(N[C@H]1CCCC[C@H]1n1cccn1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 470679456 ALPUWYMDHSBUCU-DOTOQJQBSA-N 449.298 4.198 5 20 IIBD O=C(c1c[nH]c2ncc(Br)cc12)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 472213764 QBLYJEKMVIZYTO-QGZVFWFLSA-N 433.287 4.121 5 20 IIBD COC(=O)COc1ccc(CNC2(c3cccc(C(F)(F)F)c3)CCC2)cc1[N+](=O)[O-] 474361190 CAOZDBUDVYZGFD-UHFFFAOYSA-N 438.402 4.334 5 20 IIBD Cc1c(C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)cccc1[N+](=O)[O-] 474550201 HMVHWQQZLOVGFT-UHFFFAOYSA-N 432.318 4.060 5 20 IIBD COc1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(Cl)c1Cl 478261975 UQVBFLWHLUFTDN-UHFFFAOYSA-N 431.297 4.264 5 20 IIBD O=[N+]([O-])c1ccn(CCSc2nnc(Cc3cccs3)n2CCc2ccccc2)n1 481261710 PTIHMUOXDRWIIW-UHFFFAOYSA-N 440.554 4.070 5 20 IIBD CO[C@]1(C)CCCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)CC1 484894172 KCGLUKCIOHFKNW-HXUWFJFHSA-N 449.554 4.164 5 20 IIBD COc1ccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)c2c[nH]c3ccccc23)cc1 486612814 UEHCNNRTRLFFDL-IBGZPJMESA-N 430.464 4.229 5 20 IIBD CN(CC(=O)NCc1ccccc1)C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 488239703 ZXSDKKGQQJGEFF-UHFFFAOYSA-N 435.505 4.134 5 20 IIBD COc1cccc(Oc2ccc(NC(=O)[C@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 491268856 VSDGICQMHWTUDF-HNNXBMFYSA-N 435.436 4.153 5 20 IIBD COc1cccc(CN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C23CC4CC(CC(C4)C2)C3)c1 494181232 AGJOSOAIIPSFAI-UHFFFAOYSA-N 438.528 4.106 5 20 IIBD COc1cccc(CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C23CC4CC(CC(C4)C2)C3)c1 494182559 LETJKFNATNSKMC-UHFFFAOYSA-N 438.528 4.188 5 20 IIBD CCc1cc(N2CCC[C@H](NC(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)C2)ncn1 495275636 CRYLFGCFSZDUKP-FQEVSTJZSA-N 446.511 4.090 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCCC(=O)N3CCCCCC3)cc2[N+](=O)[O-])n1 498535344 FYQZCCYPASUQIU-UHFFFAOYSA-N 448.570 4.033 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1NC1CCN(C)CC1 502621928 CLFVSXMDLQFFPS-AWEZNQCLSA-N 432.908 4.160 5 20 IIBD CN(Cc1ccccc1-c1ccccc1)c1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] 507026167 CWXTTYPKIOGEQD-UHFFFAOYSA-N 431.492 4.371 5 20 IIBD CCOc1ccc(C(=O)Nc2c(-c3ccc(Br)cc3)ncn2C)cc1[N+](=O)[O-] 508307421 FSMRWEUUTZYQQM-UHFFFAOYSA-N 445.273 4.409 5 20 IIBD CC(C)C[C@@H](C)n1nccc1NC(=O)c1ccc([N+](=O)[O-])cc1I 508939597 BCKJERCABDSGAA-LLVKDONJSA-N 442.257 4.255 5 20 IIBD O=[N+]([O-])c1cc(F)c(CN2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn34)C2)c(F)c1 509346900 YPYBIVVYCRCQIP-NSHDSACASA-N 441.360 4.314 5 20 IIBD CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)c(C)c1 509540731 INPPJKBCGAAWFN-UHFFFAOYSA-N 440.237 4.467 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 509550833 ZEQGRWNBHMPMSO-IRXDYDNUSA-N 427.505 4.046 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 511479950 WMERREKRLPYPOJ-UHFFFAOYSA-N 444.963 4.344 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OC)c(OCc3cn4ccccc4n3)c2)c1 516750127 PGMOVZRWCNPHLN-UHFFFAOYSA-N 448.435 4.091 5 20 IIBD COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)CNc1ccccc1[N+](=O)[O-])CC2 520093798 XJJWTHUIHCOBST-RUZDIDTESA-N 447.491 4.198 5 20 IIBD O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N(Cc1ccc(F)cc1F)C1CCCC1 521840332 NSZCSCDZHCNLRX-UHFFFAOYSA-N 427.411 4.039 5 20 IIBD Cc1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)nn1-c1ccccc1C(C)C 522856930 JQXRJHDBQKFBTN-UHFFFAOYSA-N 431.399 4.461 5 20 IIBD NS(=O)(=O)c1c(NCc2ccc(-c3ccc(Cl)cc3)cc2F)cccc1[N+](=O)[O-] 532488699 GVBZYRVGKAWXNX-UHFFFAOYSA-N 435.864 4.314 5 20 IIBD Cc1occc1C(=O)Nc1cc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)ccc1F 534595343 PHMGPJPZRWCYDU-UHFFFAOYSA-N 438.415 4.478 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(C(F)(F)F)c1 534949151 VDROOPOJTDUQOM-UHFFFAOYSA-N 442.415 4.199 5 20 IIBD C[C@@H](Oc1ccccc1NC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccccc1 535409289 QKPNHTMBGYBEFS-QGZVFWFLSA-N 433.464 4.032 5 20 IIBD O=C(CN1CCCCCC1)Nc1ccc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cc1 535695928 FVYDJJJQIMOUMZ-UHFFFAOYSA-N 435.484 4.143 5 20 IIBD O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1Cc1cc(Cl)ccc1OCc1cccnc1 535891620 KOMHYVPGWUINIP-UHFFFAOYSA-N 438.827 4.087 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)[S@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c(C)c1 536305567 SPSGLWNBFLFIRR-DHMKHTPVSA-N 427.482 4.143 5 20 IIBD Cc1ccc([C@H](C)NCC(=O)Nc2c(F)cc(F)cc2Br)cc1[N+](=O)[O-] 537176650 RPYFNDQWPMYBNN-JTQLQIEISA-N 428.233 4.233 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2ccc(Cl)c(Br)c2)CC1 537206271 DZNWGMVFFJDCEW-UHFFFAOYSA-N 444.738 4.030 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 538244969 XYDKDKPGKNMLDA-HKUYNNGSSA-N 436.917 4.247 5 20 IIBD COc1cc(CCNC(=O)N2CC[C@@H](c3ccccc3)C[C@H]2C)c([N+](=O)[O-])cc1OC 538527340 DYKQQIGCSJXHLV-SJLPKXTDSA-N 427.501 4.132 5 20 IIBD COc1cc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc(OC)c1Br 540560307 MEVYXENPOZDIPV-JTQLQIEISA-N 441.303 4.494 5 20 IIBD COc1ccc(NC(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 541099861 HXKCFEVUPVHRSE-UHFFFAOYSA-N 428.272 4.327 5 20 IIBD Cc1ccc(-c2noc(-c3cc(Br)cc([N+](=O)[O-])c3)n2)c(N2CCCC2)n1 544495320 UAFWLRBERSIPEC-UHFFFAOYSA-N 430.262 4.378 5 20 IIBD CC(C)(C(=O)NCc1cccc(COCC(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1F 545843199 GDNLNNGLWQNUOU-UHFFFAOYSA-N 428.382 4.407 5 20 IIBD CC(C)N1CCN(c2cccc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)c2)CC1 546555135 GZWFGYBOZHKTQG-UHFFFAOYSA-N 428.508 4.181 5 20 IIBD Cc1cc(N2CCCN(Cc3noc(C(C)(C)C)n3)CC2)c([N+](=O)[O-])cc1C(F)(F)F 549530071 WFMFRIRTQDFBIJ-UHFFFAOYSA-N 441.454 4.315 5 20 IIBD CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 551906669 RNTCYKLKGKMRMU-INIZCTEOSA-N 427.501 4.029 5 20 IIBD COc1cc(C(=O)NCC2(OC)CCC(c3ccccc3)CC2)c([N+](=O)[O-])cc1OC 554047677 QSDVCCVZVKYGGW-UHFFFAOYSA-N 428.485 4.085 5 20 IIBD CCOC(=O)C(C)(C)c1csc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 554662661 WHPBRIHCNDAMPJ-UHFFFAOYSA-N 446.510 4.268 5 20 IIBD COc1ccc(CC(=O)Nc2cc(-c3cccc(C(F)(F)F)c3)nn2C)cc1[N+](=O)[O-] 555562500 JGSWYSAXMOXXGD-UHFFFAOYSA-N 434.374 4.204 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)c([N+](=O)[O-])c1 561002947 GBSISAAHSFOQAV-INIZCTEOSA-N 449.287 4.111 5 20 IIBD CCO[C@@H](C)c1noc(CSCc2cc(I)cc([N+](=O)[O-])c2)n1 569399986 JZHDJVGBRKJOBE-VIFPVBQESA-N 449.270 4.113 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN3CCCC[C@H]3c3nnc([C@H]4CCCO4)o3)o2)c1 569836515 SEDHKSXLGHFKMP-ZWKOTPCHSA-N 439.472 4.254 5 20 IIBD CN1CCN(c2ccccc2-c2noc(-c3ccc4[nH]c5ccccc5c(=O)c4c3)n2)CC1 572883866 MMXGNNGWJUCFTF-UHFFFAOYSA-N 437.503 4.150 5 20 IIBD CN(c1ccccc1)c1ccc(CNCc2ccncc2OC[C@@H]2CCOC2)cc1[N+](=O)[O-] 577654390 VWTBNRRYEWHGNW-HXUWFJFHSA-N 448.523 4.463 5 20 IIBD CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccccc1)[C@H]1CCCc2c1cnn2C 589640480 BSMVUVPTWJMSAB-NRFANRHFSA-N 443.511 4.149 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)NCc2ccc(F)c(F)c2)cc1[N+](=O)[O-] 603517534 DQVWZBCDGZLROW-UHFFFAOYSA-N 439.418 4.100 5 20 IIBD CCCOc1cc(NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)c([N+](=O)[O-])cc1OCCC 603566563 XFUYWAOMCHAMHQ-INIZCTEOSA-N 447.532 4.292 5 20 IIBD COc1ccc(C(NCc2cc([N+](=O)[O-])cc3c2OCOC3)c2ccc(OC)cc2)cc1 603629643 HFGUAGYDTDGQFP-UHFFFAOYSA-N 436.464 4.358 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 603964995 SLGYDXCNIKQUHX-HXUWFJFHSA-N 448.454 4.410 5 20 IIBD COc1ccc(C(=O)NCC(=O)Nc2ccc(N[C@H](C)c3ccccc3)cc2)cc1[N+](=O)[O-] 604445904 SOBCFFNBZJTECI-MRXNPFEDSA-N 448.479 4.145 5 20 IIBD Cn1c([C@@H]2CCCN2C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)nc2ccccc21 604481231 WPWYKYLGWPZSIR-QFIPXVFZSA-N 433.512 4.062 5 20 IIBD Cc1ccc([C@@H]2CCCCCN2C(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)o1 609984574 PCCXVAYAJSHANG-IBGZPJMESA-N 436.468 4.108 5 20 IIBD CCOc1cccc2cc([C@H](C)N[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)oc12 610250236 REWATHQLEGGOJK-KBPBESRZSA-N 427.457 4.426 5 20 IIBD O=C(N[C@H]1CCN(Cc2ccccc2)C1=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611202402 QYAQHHKHNWZVPY-FQEVSTJZSA-N 439.537 4.160 5 20 IIBD C[C@@H]1CN(c2ccccc2F)CCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 616106511 VPTAJGXNHGFRHB-CQSZACIVSA-N 426.473 4.208 5 20 IIBD COc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)cc1Cc1ccccc1 619466557 ZBNJXWDWNWNDSA-UHFFFAOYSA-N 428.466 4.004 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 619791412 RBBMASIZYAFGPA-UHFFFAOYSA-N 439.390 4.101 5 20 IIBD CCS(=O)(=O)c1ccc(N2CCC(Nc3nc4ccc([N+](=O)[O-])cc4s3)CC2)cc1 731209219 MRHHRAJDXYGMBU-UHFFFAOYSA-N 446.554 4.079 5 20 IIBD O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1[nH]c2ccc(Cl)cc2c1Cl 731511823 PPONVXVMARSIQR-HNNXBMFYSA-N 434.235 4.345 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@@H](c1ccccc1)C1CCCCC1 731609554 QNLDGLIQRCLTLW-QHCPKHFHSA-N 426.469 4.233 5 20 IIBD C[C@@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)CCOC1 733122494 VBCRADXNGGWDPM-VWLOTQADSA-N 437.540 4.210 5 20 IIBD CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCc1cc([N+](=O)[O-])ccc1Cl 734779114 ATGZKBKZWAZOFD-VBKZILBWSA-N 430.888 4.291 5 20 IIBD COC(=O)NCc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1 735259778 YNKPITSZQHKEEZ-UHFFFAOYSA-N 434.452 4.315 5 20 IIBD O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)C1(c2cccc(F)c2)CCOCC1 735442123 FSJBYGSDPSAXBW-UHFFFAOYSA-N 426.400 4.181 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N2C[C@@H](C)CCC[C@@H]2C)cc1 741609244 ABIOUJHIEPSJSP-RDJZCZTQSA-N 446.525 4.322 5 20 IIBD C[C@H]1C[C@@H](c2cccc(F)c2)N(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 742322599 USGNXDDORVBCCH-ZBEGNZNMSA-N 443.294 4.268 5 20 IIBD Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1 742868104 PXAFPFDURPMMCB-LJQANCHMSA-N 441.484 4.292 5 20 IIBD CCC[C@@H]1CCc2c(sc(=O)n2CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 743391005 RECVKFZNXUSSIY-MRXNPFEDSA-N 431.558 4.224 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)Cc2cccc([N+](=O)[O-])c2C)c(Br)c1 748468123 MIHBFFHLVAKGDR-ZDUSSCGKSA-N 435.274 4.087 5 20 IIBD CCOc1ccc(C(=O)N2CCCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 748532798 SLTZOLBPGLMAGS-ROUUACIJSA-N 447.532 4.388 5 20 IIBD C[C@H](Sc1ccc(Br)cc1[N+](=O)[O-])C(=O)Nc1ccc2nc(O)[nH]c2c1 749131314 CKSNNBCGDYOESN-QMMMGPOBSA-N 437.275 4.059 5 20 IIBD O=C(NCc1ccc(-n2ccnc2)cc1)c1cc(Br)cc([N+](=O)[O-])c1Cl 750856407 JSFDEKHQSPTCDW-UHFFFAOYSA-N 435.665 4.126 5 20 IIBD O=C(Cc1ccccc1)Nc1ccccc1C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1 751637042 YQESFAKHTHJFDZ-UHFFFAOYSA-N 431.404 4.274 5 20 IIBD C[C@@H](OC(=O)[C@H](C)c1ccccc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 751985849 MJLFNJJEDIMQKF-ZIAGYGMSSA-N 425.466 4.392 5 20 IIBD O=C(COC(=O)c1c(F)ccc([N+](=O)[O-])c1F)Nc1ccc(Cl)c(C(F)(F)F)c1 752567442 HRLJKKBJYQWBBO-UHFFFAOYSA-N 438.692 4.341 5 20 IIBD CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1C(C)C 753504006 OECUDUXXZRDUIR-LBPRGKRZSA-N 435.864 4.395 5 20 IIBD CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 755028022 ITVZDUAWTLMSPI-INIZCTEOSA-N 447.333 4.343 5 20 IIBD CCOc1cc(COC(=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)ccc1[N+](=O)[O-] 755554785 NFTJDBUGSOFDCN-UHFFFAOYSA-N 442.449 4.132 5 20 IIBD CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2OCc2ccccc2)n1 756628775 SOUFPDPHGJOXIT-UHFFFAOYSA-N 445.819 4.204 5 20 IIBD COc1ccc(CCC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc1Br 756996115 JDDPXDWYOXWZLP-UHFFFAOYSA-N 427.682 4.268 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1cncc(Cl)n1 758637374 DJGIDSKDBGHQEA-QGZVFWFLSA-N 447.234 4.228 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H](c2noc(Cn3ccc4cc([N+](=O)[O-])ccc43)n2)C1 761883817 WMXFQMGYTBQXGM-OAHLLOKOSA-N 427.461 4.095 5 20 IIBD CCN(Cc1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1)C(=O)OC(C)(C)C 762260610 KEUWGEODYQXSRA-UHFFFAOYSA-N 441.282 4.088 5 20 IIBD C[C@H](CCS(C)(=O)=O)NC(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34 762559197 XFUYPDWABSLAEV-MRXNPFEDSA-N 435.545 4.486 5 20 IIBD Cc1cccc(NC(=O)[C@H](OC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)C(C)C)c1C 762973542 CJLVVQPNJJPVAU-GOSISDBHSA-N 428.470 4.036 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 763718232 APAUMANPRSWFGT-RXMQYKEDSA-N 438.692 4.128 5 20 IIBD COc1ccc2cc([C@H](C)OC(=O)c3ccc(N4C(=O)CCC4=O)c([N+](=O)[O-])c3)ccc2c1 766767991 GFMLAUYBHMLXTJ-AWEZNQCLSA-N 448.431 4.328 5 20 IIBD CCOc1ccc(-n2c(S/C=C\c3ccc([N+](=O)[O-])o3)nnc2-c2cnccn2)cc1 768401418 FXPYWCOHANSAOM-XFXZXTDPSA-N 436.453 4.387 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@@H]1c2ccccc2CC[C@@H]1n1ccnc1 769144266 KOWHKZXPHICUNQ-VQTJNVASSA-N 425.876 4.173 5 20 IIBD O=C1OCCN1c1cccc2c1CCN(Cc1csc(-c3cccc([N+](=O)[O-])c3)n1)C2 769501722 ACFJARQPIQVRMZ-UHFFFAOYSA-N 436.493 4.233 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 772301492 MEBBLXVELUGMFF-AWEZNQCLSA-N 444.288 4.215 5 20 IIBD O=C(CCCC(=O)c1ccc(Br)cc1)OCC(=O)c1cccc([N+](=O)[O-])c1 773581592 ZBMYLUXZDWDUCX-UHFFFAOYSA-N 434.242 4.136 5 20 IIBD C[C@@H](CCS(C)(=O)=O)OC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 774838496 BJZDQZRWNADSOD-LBPRGKRZSA-N 443.930 4.379 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)c1 778253426 IDVLWCDSDJPLCH-UHFFFAOYSA-N 433.421 4.338 5 20 IIBD O=C(O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)c1coc(-c2ccccc2Cl)n1 778815106 REXVGIIANCSAQN-ZDUSSCGKSA-N 431.807 4.478 5 20 IIBD C[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H](O)c1c(F)cccc1Cl 779384780 NTMOIWJXEMGXSA-QGHHPUGFSA-N 430.263 4.005 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(Cc2cccc(Br)n2)CC1 779432366 DKJNUTWERZLXMP-UHFFFAOYSA-N 445.239 4.093 5 20 IIBD COC(=O)Nc1cc(NCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])ccc1F 779739014 KJGMMRWDGILYHX-UHFFFAOYSA-N 429.351 4.177 5 20 IIBD O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781648221 GTVXOYJJJQNCOK-OAHLLOKOSA-N 429.301 4.381 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc([N+](=O)[O-])c1Br 781677495 HYHZUKLABYPSIV-UHFFFAOYSA-N 448.185 4.278 5 20 IIBD C[C@H](OC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1ccc2ccccc2c1 781735838 CYJIZGDKJUGROQ-AWEZNQCLSA-N 437.408 4.159 5 20 IIBD Cc1sc2ncnc(N3CCC(C(=O)OCc4ccc([N+](=O)[O-])c(F)c4)CC3)c2c1C 782100236 VZHXPPHVAHZJER-UHFFFAOYSA-N 444.488 4.315 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)cc([N+](=O)[O-])c1 784521506 OFIJUCPILOJNIN-CQSZACIVSA-N 436.386 4.420 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 784527999 LYNNFKAIYUYJNQ-OAHLLOKOSA-N 430.386 4.429 5 20 IIBD Cc1ccc(/C(O)=C(/C(=S)NC2(C)CC2)[n+]2c(C)ccc(O)c2Cl)cc1[N+](=O)[O-] 789412057 NXWPYJUGDRCICK-UHFFFAOYSA-O 434.925 4.211 5 20 IIBD CC(C)[C@H](CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)c1cccnc1 790759660 HVVLKBJUSRLKSV-INIZCTEOSA-N 447.333 4.260 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 791693332 LCIBOWCFOQDOEX-LBPRGKRZSA-N 436.848 4.066 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(Cl)cc(F)c1Br 792700538 QDDUEIBYJZSPFX-UHFFFAOYSA-N 445.628 4.254 5 20 IIBD O=C(NC[C@@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1)OCc1ccccc1 794045963 UOKDARRQRCQEBI-INIZCTEOSA-N 431.876 4.027 5 20 IIBD Cc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1NC(=O)N(C)C 794422632 PCCGSNRHUYJCIT-UHFFFAOYSA-N 439.241 4.151 5 20 IIBD CCn1c(SCCS(=O)(=O)Cc2ccccc2)nc2cc3ccccc3cc2c1=O 794427289 SURHHAMFZKNZAT-UHFFFAOYSA-N 438.574 4.277 5 20 IIBD COc1ccc(COC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c(Br)c1OC 796442434 DWUVGSATTUBTCR-UHFFFAOYSA-N 438.274 4.396 5 20 IIBD C[C@]1(CNC(=O)c2sc(Br)cc2[N+](=O)[O-])CCN(Cc2ccccc2)C1 798529926 ZUCZJXHOUTWHPK-GOSISDBHSA-N 438.347 4.061 5 20 IIBD O=[N+]([O-])c1ccc2cnn(Cc3nc(C4(c5cccc(Br)c5)CC4)no3)c2c1 799671109 RTQWBEIFCNIHRH-UHFFFAOYSA-N 440.257 4.218 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCC(N2CCc3ccccc32)CC1 800107354 PRNYSJGFKLXVTQ-UHFFFAOYSA-N 434.540 4.252 5 20 IIBD Cc1sc2ncnc(SCC(=O)OCc3c(F)cc([N+](=O)[O-])cc3F)c2c1C 803210296 OGGVXLRBZAUVDX-UHFFFAOYSA-N 425.438 4.330 5 20 IIBD Cc1ccc(Cl)c2sc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)nc12 807766966 HVGDQRUIAYUHOA-UHFFFAOYSA-N 432.889 4.255 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCc3c([nH]c4ccccc34)C2)c(Cl)cc1Cl 809829060 YEZMEXNOXDBETB-UHFFFAOYSA-N 426.281 4.130 5 20 IIBD O=C(Nc1ccc(OC(=O)[C@H]2CCN(c3ccccc3F)C2)cc1)c1cccc([N+](=O)[O-])c1 810532393 DHEBSAIWGMDQLZ-KRWDZBQOSA-N 449.438 4.418 5 20 IIBD COc1cc(C(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c([N+](=O)[O-])cc1OC 811028124 KUHDYDOKVLMLOP-UHFFFAOYSA-N 431.184 4.184 5 20 IIBD C[C@H](NCc1cc(F)ccc1[N+](=O)[O-])c1ccc(Br)cc1OCCCO 812886062 WUYPYFWGYHPAOD-LBPRGKRZSA-N 427.270 4.108 5 20 IIBD O=C(Cc1c[nH]c2cccc(Cl)c12)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 815930577 TUTINTPPOVDYGK-UHFFFAOYSA-N 428.876 4.127 5 20 IIBD C[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)nc1Cl 816763320 SBXZYEIACMZXPE-JTQLQIEISA-N 439.781 4.339 5 20 IIBD Cc1onc(-c2ccc(F)cc2)c1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 914925540 PGDQOXVXUYORRA-UHFFFAOYSA-N 433.779 4.146 5 20 IIBD C[C@@H](OC(=O)c1cccc(NC(=O)C2CCCCC2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 915435643 ICDGHGNXANOADQ-OAHLLOKOSA-N 439.468 4.298 5 20 IIBD COc1cc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])ccc1NC(=O)OC(C)(C)C 916429433 UZWIHGHVVHFGFR-UHFFFAOYSA-N 447.444 4.220 5 20 IIBD COc1ccc(C(=O)c2ccccc2)c(OC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1 916878682 VZFWFTOSYIQHEI-UHFFFAOYSA-N 443.415 4.239 5 20 IIBD C[C@@H](OC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 920652428 OGDKOLVPRJBRAK-LLVKDONJSA-N 449.250 4.271 5 20 IIBD COc1ccc(-c2cc(NC(=O)NCCOc3ccc([N+](=O)[O-])cc3)ccc2OC)cc1 1116019770 SYSKRTVHCNLDCW-UHFFFAOYSA-N 437.452 4.480 5 20 IIBD COc1ccc(-c2ccc(CNCc3cccc(OCC(F)(F)F)n3)o2)c([N+](=O)[O-])c1 1116819800 KAQIVHTYAWAHOT-UHFFFAOYSA-N 437.374 4.489 5 20 IIBD O=C(C[C@@H](O)c1ccc(OCc2ccccc2)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 1320793812 YLYHPUVXAARZPJ-XMMPIXPASA-N 432.476 4.182 5 20 IIBD CC[C@@H]1Oc2cc([C@@H](C)NCc3ccc([N+](=O)[O-])cc3Br)ccc2NC1=O 1325789399 FRTLRHDWKQBDGY-DIFFPNOSSA-N 434.290 4.318 5 20 IIBD COC(=O)C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cccc(Cl)c1 1339120093 YCXYOFZJTNHBHJ-AWEZNQCLSA-N 441.665 4.045 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccc(C2(NC(=O)c3ccccn3)CCC2)cc1 1786206673 ZRTPBUHOIRQYFZ-PKNBQFBNSA-N 432.436 4.044 5 20 IIBD O=C(Cc1cc([N+](=O)[O-])ccc1F)Nc1ccc(C2(NC(=O)c3ccco3)CCC2)cc1 1786672697 DDDOJSUSBUBGMS-UHFFFAOYSA-N 437.427 4.317 5 20 IIBD Cn1ccc(C(=O)Nc2ccc(C3(NC(=O)CCc4cccc([N+](=O)[O-])c4)CCC3)cc2)c1 1787235971 NCSKPTGBNVJVRC-UHFFFAOYSA-N 446.507 4.314 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])NC1(c2ccc(NC(=O)c3ccccn3)cc2)CCC1 1787297843 KTQHLYBLWLPTRF-NTEUORMPSA-N 442.475 4.451 5 20 IIBD COc1cc(C(=O)NC2(c3ccc(NC(=O)C(C)(C)C)cc3)CCC2)ccc1[N+](=O)[O-] 1787705469 UXTBFXWJHXLPLM-UHFFFAOYSA-N 425.485 4.397 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCC[C@H]4C)cc3)CCC2)ncc1[N+](=O)[O-] 1789207537 PEOQUUWKMQGIRM-DNVCBOLYSA-N 436.512 4.482 5 20 IIBD C[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])C3)CC1 1803214426 SCTVUYBDFVBUGI-MRFPZENKSA-N 447.963 4.255 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])N1CCC2(CCCN(C(=O)C3=CCCC3)C2)CC1 1808968353 YMQXFUYEUMUYNQ-UHFFFAOYSA-N 443.569 4.028 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CC=CCC2)[nH]n1)c1cccc(F)c1[N+](=O)[O-] 1821173268 WNIXJVGKBXYZTN-KSSFIOAISA-N 441.463 4.119 5 20 IIBD C/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)CC1 1830293147 STHQOKODLJOXRC-AZFAAHJESA-N 439.556 4.212 5 20 IIBD O=C([C@@H]1CCC[C@H]2CCCC[C@@H]21)N1CC2(CCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)C1 1841443976 NAUHAUHJLSAIIX-YUFNLNHPSA-N 441.528 4.011 5 20 IIBD COCCn1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc2ccccc21 9073693 QLSWSSKWGQWNAQ-LBPRGKRZSA-N 434.905 4.364 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCOCC2)c2ccncc12 9681929 DQWOBUJEVNIPTO-HNNXBMFYSA-N 438.509 4.099 5 20 IIBD O=C(COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1Cl 9684989 LTKFGGKVPCKMQN-FPYGCLRLSA-N 439.649 4.206 5 20 IIBD C[C@H](OC(=O)COc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Oc2ccccc2)cc1 11083493 JYOZKVWAOVZDPA-INIZCTEOSA-N 436.420 4.336 5 20 IIBD Cc1ccc(-c2noc(COC(=O)Cn3c4ccccc4c(=O)c4ccccc43)n2)cc1 11278205 VCWRKVIMJWUYRM-UHFFFAOYSA-N 425.444 4.257 5 20 IIBD CCCC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2cc(SC)ccc2[N+](=O)[O-])cc1 16196908 QXFKSQVZQNXFHQ-ZDUSSCGKSA-N 430.482 4.484 5 20 IIBD Cc1nc(-c2ccccc2)sc1C(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 17828170 AUYZJMSKYLUKOV-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)OCc2nc(-c3cccc(Cl)c3)no2)cc1OC 19159787 KDWLACNITVAEFA-UHFFFAOYSA-N 433.804 4.063 5 20 IIBD Cc1nn(CC(=O)N2N=C(c3cc4ccccc4o3)C[C@@H]2c2ccco2)c(C)c1[N+](=O)[O-] 25486085 HAVUALXRRJSWOA-QGZVFWFLSA-N 433.424 4.125 5 20 IIBD O=C(COC(=O)Cc1csc(-c2ccccc2Cl)n1)Nc1ccc(F)c([N+](=O)[O-])c1 26674149 PNPWSVOQKIXHIQ-UHFFFAOYSA-N 449.847 4.235 5 20 IIBD COc1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2C[C@H]2CCCO2)cc1 29738436 SPCVXJNZGLZEJE-LJQANCHMSA-N 426.498 4.333 5 20 IIBD CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)c1C(F)(F)F 31546666 AGONUIWPRWWPOC-UHFFFAOYSA-N 448.357 4.228 5 20 IIBD COc1ccc(NC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)c([N+](=O)[O-])c1 57561554 AEGXFICESDSBMU-HOTGVXAUSA-N 441.484 4.024 5 20 IIBD O=C(NC1(c2ccc(Br)cc2)CC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 108069776 CVOJZKLMZSIAJB-UHFFFAOYSA-N 444.329 4.379 5 20 IIBD C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)c2cc(Cl)ccc2S1 109032518 IFAXFRLHCJZJGD-NSHDSACASA-N 440.930 4.183 5 20 IIBD O=C(NC[C@H](O)c1cccc(F)c1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 109241259 JWKMGXHSDJBZSB-NRFANRHFSA-N 443.862 4.463 5 20 IIBD COc1ccc([C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C2CC2)cc1 217106922 KECXFDKSDFREOM-IBGZPJMESA-N 434.290 4.045 5 20 IIBD CCOC(=O)c1c(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)sc(C)c1CC 255948654 SPRIGSJRFYLFBO-UHFFFAOYSA-N 428.470 4.142 5 20 IIBD O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N(Cc1ccccn1)C1CC1 302706441 DCUYIDNLUWQZII-UHFFFAOYSA-N 448.445 4.416 5 20 IIBD CN(C(=O)CN1CCC[C@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1)c1ccc([N+](=O)[O-])cc1 427009203 RUNXXYOJYCEBJN-FQEVSTJZSA-N 439.903 4.438 5 20 IIBD CC[C@@H](NC(=O)Nc1ccc(C(=O)N(C)C2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 429152278 ACSQDQMORJLPSY-OAQYLSRUSA-N 440.500 4.119 5 20 IIBD CNC(=O)c1ccc(N2C[C@@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)c([N+](=O)[O-])c1 432140298 VIULAAOSIDYGFV-SFHVURJKSA-N 437.418 4.330 5 20 IIBD COC(=O)COc1ccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1Cl 433592854 UYNRJRMRLQMSCU-UHFFFAOYSA-N 447.856 4.176 5 20 IIBD CC(C)c1nc([C@@H]2CCCN(C(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)C2)no1 436370076 XAMNQXCSCFXLJF-CQSZACIVSA-N 434.471 4.347 5 20 IIBD C[C@H](NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)c1ncn(C)n1 444435003 SLEPUEVRRYSNPW-HNDQUVLASA-N 448.508 4.141 5 20 IIBD Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)c12 444639244 YSFMSXKBPSIRDK-UHFFFAOYSA-N 447.499 4.087 5 20 IIBD O=C(Cc1noc([C@@H]2CC[C@@H]3CCCC[C@@H]3C2)n1)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 445489765 GGUNFUQPIMEMRF-RRFJBIMHSA-N 442.472 4.004 5 20 IIBD CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 446403092 RGEVXFCUASLFAC-CQSZACIVSA-N 433.892 4.034 5 20 IIBD CCCCOc1ccc(-c2nnc(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)o2)cc1 446774913 IGASPJSWWLNEBD-UHFFFAOYSA-N 446.485 4.241 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1 462513507 SBOCONRITHPLDH-QGZVFWFLSA-N 427.476 4.180 5 20 IIBD O=C(NCC1CCN(Cc2cccs2)CC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 463577535 QRTRDPAJLLSODR-UHFFFAOYSA-N 427.448 4.317 5 20 IIBD Cc1noc(-c2ccccc2)c1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 463784939 UVNYPMYYZYPPOQ-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD C[C@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])Oc1ccc(Cl)cc1 464623086 BDVNHAODMREYOY-LLVKDONJSA-N 432.782 4.387 5 20 IIBD Cc1c(COC(C)(C)C)cccc1NC(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl 467877366 VLJCVNMITBXHJM-UHFFFAOYSA-N 433.892 4.127 5 20 IIBD Cc1ccsc1C(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)cc1 468703937 NQTSVYHEEXHIIB-UHFFFAOYSA-N 432.479 4.413 5 20 IIBD CCOc1ccccc1Oc1ccc(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)cn1 468710263 SEECXIQIBRKRCT-UHFFFAOYSA-N 443.481 4.196 5 20 IIBD NC(=O)[C@H]1CCC[C@@H](C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)C1 469379691 UCEMREOFAWTEKE-UONOGXRCSA-N 449.866 4.088 5 20 IIBD O=C(c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2)N1CC[C@@H](O)C1 472391154 WINSFIFJDQOFGH-RBAUTDOXSA-N 429.476 4.227 5 20 IIBD C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 473531980 LWDDYXOXVSGZAF-JYCIKRDWSA-N 429.523 4.289 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2C(=O)N2CCCC3(CC3)C2)c1 474786443 SHIMENPXTCTTRM-UHFFFAOYSA-N 443.525 4.029 5 20 IIBD C[C@@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1cc2cccc(F)c2o1 475092784 SOVZICRSAQQYRR-GFCCVEGCSA-N 427.388 4.046 5 20 IIBD C[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(Br)cn1 475229205 CFBVYVMAELPMIS-MRVPVSSYSA-N 431.193 4.236 5 20 IIBD CCN(CC)C(=O)COc1ccc(NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)cc1Cl 478887498 KFEFFDOZWCKWDU-UHFFFAOYSA-N 449.891 4.065 5 20 IIBD CCc1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(C(F)(F)F)cc1 481898713 UXWYWAWRXKZRNI-UHFFFAOYSA-N 434.374 4.379 5 20 IIBD COc1cc([C@H]2Nc3ccccc3C(=O)N2CC(C)C)c([N+](=O)[O-])cc1OCC(F)F 484920038 VQUIMOPQKGXYBL-FQEVSTJZSA-N 435.427 4.470 5 20 IIBD CC(C)OCc1cccc(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 485121154 LYZSDGQUEFINSV-UHFFFAOYSA-N 429.292 4.083 5 20 IIBD O=C(NCC(=O)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21)c1c(Cl)cccc1[N+](=O)[O-] 485637577 SBEZGNCVWVFDRY-LMMKCTJWSA-N 441.915 4.163 5 20 IIBD CCCNC(=O)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 486667424 XUNZIDMOZPORSJ-MRXNPFEDSA-N 427.526 4.124 5 20 IIBD CCOC(=O)C1CCN(C(=O)c2ccc(NCc3c(Cl)cccc3[N+](=O)[O-])cc2)CC1 488158453 GMNNBZATNOOZBV-UHFFFAOYSA-N 445.903 4.276 5 20 IIBD COc1cccc(-c2noc([C@H](C)NC(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)n2)c1 489470720 DJEMECMPULBSNS-KBPBESRZSA-N 425.445 4.083 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)nnc1-c1ccc(F)cc1 489635825 QRGNFDLQQNWWGC-GFCCVEGCSA-N 445.476 4.140 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C 490037498 SJWVQSCGPKYHSP-DYVFJYSZSA-N 444.431 4.073 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc2nccnc2c1Br 491282641 GNEUZSDNUJQLJJ-UHFFFAOYSA-N 430.262 4.007 5 20 IIBD COc1ccc([C@H](C)NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cc1 498857010 QFPACDWIRHIHDA-INIZCTEOSA-N 447.491 4.391 5 20 IIBD Cc1[nH]nc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)c1[N+](=O)[O-] 499773682 AOTALMSWZKBVMU-UHFFFAOYSA-N 425.298 4.224 5 20 IIBD C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 500465212 QOPKMSWIHSACFB-OAHLLOKOSA-N 437.477 4.354 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC(n2cc(-c3ccccc3)nn2)C1 500503222 LPBWJPSBBYUAEH-UHFFFAOYSA-N 437.525 4.299 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCOC[C@@H]1c1nc2ccccc2s1 500648540 CFGVHHQHQYSAES-OAHLLOKOSA-N 448.298 4.181 5 20 IIBD COc1ccccc1Oc1ccc(CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])cc1 500966840 NWOUFZQRKYAPMY-UHFFFAOYSA-N 442.493 4.058 5 20 IIBD Cc1onc(-c2cccc(Br)c2)c1C(=O)NCCc1ccccc1[N+](=O)[O-] 501136727 BWPGFXLNSFSGSN-UHFFFAOYSA-N 430.258 4.293 5 20 IIBD CCOc1cc(C(=O)Nc2cc(F)ccc2Sc2nccn2C)c([N+](=O)[O-])cc1OC 502722903 UTXBQQJTIKPVRH-UHFFFAOYSA-N 446.460 4.278 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(CN2CCCC2=O)c1 503067598 GKCYSVIWBRUANY-UHFFFAOYSA-N 427.526 4.149 5 20 IIBD Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 504110553 MRHWIQFJUVTPEY-INIZCTEOSA-N 449.511 4.202 5 20 IIBD C[C@@H](NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccc(NC(N)=O)cc1 507056481 YTBOQUDZIYIHBT-HUUCEWRRSA-N 448.483 4.145 5 20 IIBD O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)c1cc(O)nc2ccc([N+](=O)[O-])cc12 508090563 SFDHULIZURRCDI-MRXNPFEDSA-N 427.285 4.160 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccc(-c3nnco3)cc2)cc1[N+](=O)[O-])c1ccccn1 508887721 FPDMARWEZWSGKM-AWEZNQCLSA-N 430.424 4.465 5 20 IIBD COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 509861354 CBFOCIFKRFZVKX-JTQLQIEISA-N 447.296 4.036 5 20 IIBD Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 510025544 GOEOAKJWGNFOKG-UHFFFAOYSA-N 446.301 4.462 5 20 IIBD CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 511479161 QCBOFQBBHWRLIN-UHFFFAOYSA-N 426.448 4.055 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C)cc2OC[C@@H]2CCCO2)cc1OC 511748768 TZUBYRAJUFANSS-HNNXBMFYSA-N 430.457 4.121 5 20 IIBD O=C(Nc1ccc(F)cc1)c1ccccc1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 512738161 CWMHRRCSZHRBCS-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD COc1cc(C(=O)N[C@H](C)c2ccc(OCC(C)C)c(OC)c2)c([N+](=O)[O-])cc1OC 515034937 KRBDZTUVTGWRAL-CQSZACIVSA-N 432.473 4.146 5 20 IIBD CCNC(=O)c1ccc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c(C)c1 515690738 LVJNPSVWCQOCNN-HZPDHXFCSA-N 438.528 4.388 5 20 IIBD CCOc1cc(NC(=O)C(=O)N[C@H](c2ccccc2)C(C)(C)C)c([N+](=O)[O-])cc1OCC 515971304 MOJPJXYWLABOKR-HXUWFJFHSA-N 443.500 4.234 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(Cc2c(F)cccc2Cl)CC1 516272828 YYDRIQKELALTQZ-UHFFFAOYSA-N 427.263 4.390 5 20 IIBD COc1ccc(-c2ccc(CNCCCC(=O)N3CCc4ccccc43)o2)c([N+](=O)[O-])c1 518450219 PLLJQIKWNSXQSM-UHFFFAOYSA-N 435.480 4.323 5 20 IIBD CC(C)(C)c1ccc(-c2n[nH]c(NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)n2)cc1 519510030 MUBMQYLEWDKRDR-UHFFFAOYSA-N 431.456 4.115 5 20 IIBD CCc1cccc(Cc2cnc(NC(=O)COc3ccc([N+](=O)[O-])c(OC)c3)s2)c1 519975724 IKCWRUJHPGIQLI-UHFFFAOYSA-N 427.482 4.231 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 520554348 IINXVAVKDSMVFT-INIZCTEOSA-N 447.495 4.213 5 20 IIBD COc1ccc([C@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])c2c[nH]c3ccccc23)cc1 520952580 WVTJDSCDASHPGI-FQEVSTJZSA-N 444.491 4.445 5 20 IIBD C[C@@H](SCCCNc1ncccn1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 521345463 HKBRSOLFEKZJAT-CYBMUJFWSA-N 444.542 4.071 5 20 IIBD CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 522542998 CGUQIUSGCYEDCV-JKSUJKDBSA-N 435.933 4.052 5 20 IIBD COc1ccc(C(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)c(OC)c1 522816648 SJARSXOZJZOWFM-UHFFFAOYSA-N 434.408 4.310 5 20 IIBD O=C(c1cccc(S(=O)(=O)Cc2ccccc2)c1)N1CCCc2ccc([N+](=O)[O-])cc21 522874975 QWXOLMUUVLGQAM-UHFFFAOYSA-N 436.489 4.162 5 20 IIBD CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 525356212 NBKDUBDPXIFLPT-UHFFFAOYSA-N 440.477 4.063 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C)c(OCC3CCOCC3)c2)cc1OC 525470842 GXPWLLGAPMJECX-UHFFFAOYSA-N 444.484 4.368 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]1c1ccc(Br)cc1 532565544 CQFPZFGBNNTJGP-KRWDZBQOSA-N 434.290 4.142 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)NC2CCC(F)(F)CC2)cc1[N+](=O)[O-] 534951492 PUFYKQQFWIYBDT-UHFFFAOYSA-N 431.439 4.200 5 20 IIBD O=C1NCCN1[C@H]1CCCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 535083330 YGKKKEGIAADDDG-KRWDZBQOSA-N 430.892 4.030 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CC=C(C(F)(F)F)CC1 535281379 QKQGXQURLUJYRU-UHFFFAOYSA-N 435.189 4.422 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl 536932124 SHXQBJRRQFBEGD-ZMZPIMSZSA-N 441.709 4.446 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)cc1OC 537557111 DPSLILCTYPFATR-UHFFFAOYSA-N 433.424 4.193 5 20 IIBD Cc1ccc(-c2csc(NC(=O)CCCNC(=O)[C@@H]3CC=CCC3)n2)cc1[N+](=O)[O-] 538409663 UHSLLXHAHCRSKG-OAHLLOKOSA-N 428.514 4.218 5 20 IIBD O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1cc(Cl)cc([N+](=O)[O-])c1O 539781993 DTAUPQZPYMGAPE-UHFFFAOYSA-N 441.252 4.388 5 20 IIBD COc1ccccc1COC1CCN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 539881732 VKZVHAWXXMJSFA-KRWDZBQOSA-N 427.501 4.364 5 20 IIBD COc1ccc2c(c1)CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H](c1ccccc1)C2 542278593 AGONOYKCWGLVKT-URXFXBBRSA-N 434.492 4.143 5 20 IIBD COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@@H]2C 542860534 YKFNAYYQABVGPV-VXGBXAGGSA-N 436.411 4.361 5 20 IIBD O=c1[nH]c(Cc2ccc([N+](=O)[O-])cc2Br)nc2c(-c3ccccc3)nsc12 543017536 JVFYDDMUVZNPAI-UHFFFAOYSA-N 443.282 4.308 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N[C@H](c2ccc(Cl)cc2)c2ccn(C)n2)cc1[N+](=O)[O-] 545160646 WVADUZJFAOPKBN-JLTOFOAXSA-N 427.892 4.440 5 20 IIBD Cc1cc(Cc2noc(CCc3nnc(-c4cc5ccccc5o4)o3)n2)ccc1[N+](=O)[O-] 545786462 PXMZUGXHPOEANQ-UHFFFAOYSA-N 431.408 4.458 5 20 IIBD Cc1cc(-c2noc([C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)ccc1-n1cncn1 546476160 NNQWPHQPHNSMFX-GFCCVEGCSA-N 426.820 4.327 5 20 IIBD COc1cccc(OC)c1OCc1noc([C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n1 546490234 WTQDZKJZRSOXCH-NSHDSACASA-N 435.820 4.367 5 20 IIBD O=[N+]([O-])c1ccc(-n2cc(-c3nc(Cc4ccccc4Br)no3)cn2)cc1 546991858 NDFAZPNNTDVMNO-UHFFFAOYSA-N 426.230 4.184 5 20 IIBD COCC[C@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 551575512 JFBIFSRKLRJMEC-KRWDZBQOSA-N 447.340 4.141 5 20 IIBD O=C(Cc1noc(-c2ccccc2Sc2ccccc2[N+](=O)[O-])n1)Nc1ccccn1 554826654 OESZLILFVGVHIO-UHFFFAOYSA-N 433.449 4.372 5 20 IIBD COc1ccc(CN(C(=O)NCc2cccc([N+](=O)[O-])c2C)[C@@H](C)C2CC2)c(OC)c1 555204357 OBJAVNXIPIEHJN-INIZCTEOSA-N 427.501 4.431 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCCC[C@H]2c2ncc(-c3ccccc3)[nH]2)s1 557663209 XWDVASPRRZJBCN-HNNXBMFYSA-N 432.527 4.182 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(CCN2CCC(C)CC2)c1 558535860 HCNGWOPUPZCCDS-UHFFFAOYSA-N 438.528 4.009 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cc(C)c(Br)cc2F)cc([N+](=O)[O-])c1 563773289 DOACWIKLOZKDGH-UHFFFAOYSA-N 425.210 4.234 5 20 IIBD COc1cc(Cc2noc(-c3nc(-n4nc(C)cc4C)ccc3Cl)n2)ccc1[N+](=O)[O-] 567545347 YBJASXVTHQRURB-UHFFFAOYSA-N 440.847 4.095 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)Cc1nc(Cc2cccc(Br)c2)no1 568028361 VTPGWRCDGYEEIM-UHFFFAOYSA-N 431.290 4.006 5 20 IIBD COc1ccc(C(=O)COc2ccc(Cc3ccccc3)cc2[N+](=O)[O-])c2c1C(=O)CO2 569327856 MESOTUDNZQKLOO-UHFFFAOYSA-N 433.416 4.031 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](c1cncc(Br)c1)C1CC1 577609125 AWVNJMOIWAZJMB-LJQANCHMSA-N 433.306 4.130 5 20 IIBD CC[C@](C)(NCc1cc(I)cc([N+](=O)[O-])c1)c1nc(C)cs1 589256439 OWMNEDYRIJPVBA-HNNXBMFYSA-N 431.299 4.379 5 20 IIBD COc1ccc(CSCC(=O)N(C)Cc2cccc(Br)c2)cc1[N+](=O)[O-] 603568747 OIQYKMUXHBKDOO-UHFFFAOYSA-N 439.331 4.258 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1I 603638369 DHCAOWJEKBFIKH-UHFFFAOYSA-N 434.136 4.053 5 20 IIBD O=C(NCc1cccc(Oc2ccccc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 603720435 XEWWIOWFNPFDOH-UHFFFAOYSA-N 425.828 4.295 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N(Cc3ccccc3)C[C@@H]3CCCO3)cc2)c(C)c1[N+](=O)[O-] 604340225 PQOZBZXOGATBSY-QHCPKHFHSA-N 448.523 4.278 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)NCC2(c3cccc(C)c3)CCCC2)cc1OC 608875950 XPZPGMZPYIQEPH-UHFFFAOYSA-N 442.512 4.179 5 20 IIBD O=C(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)Nc1ccc(Cl)c(C(F)(F)F)c1 609054027 NMZNRFAMWLTEIF-UHFFFAOYSA-N 425.754 4.164 5 20 IIBD CCN1CCC(n2nccc2NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 609351015 ZTZZXWFKYPGZKS-UHFFFAOYSA-N 448.527 4.313 5 20 IIBD CCOC(=O)c1ccnc(NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1[N+](=O)[O-] 609961459 RMJXDZUUGYPZQP-RKDXNWHRSA-N 429.317 4.488 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(N[C@H](C)c2ncc(-c3ccccc3)o2)c([N+](=O)[O-])c1 610077518 UXGZBWXTCCUECM-OAHLLOKOSA-N 444.513 4.453 5 20 IIBD CCOc1cc(CN2CCC(c3c(OC)cc(OC)cc3OC)CC2)ccc1[N+](=O)[O-] 617194790 VECRQYNBFGLIBJ-UHFFFAOYSA-N 430.501 4.399 5 20 IIBD CCN(C(=O)Cc1ccc(NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)cc1)c1ccccc1 727665911 XCWIGBWRKQAREF-UHFFFAOYSA-N 447.491 4.380 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 727711513 JHQRIFRABMCUBV-UHFFFAOYSA-N 437.905 4.065 5 20 IIBD COc1ccccc1[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)c1nccn1C 729045237 OUJJVQJPHOXJFH-NRFANRHFSA-N 437.500 4.047 5 20 IIBD COC(=O)c1cc(C(C)(C)C)sc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 732702375 ZAZZAHJYZOWIGG-UHFFFAOYSA-N 446.529 4.095 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)c1 732987608 IMFLSZILXVZYFD-INIZCTEOSA-N 447.257 4.161 5 20 IIBD C[C@@H]([C@H](OC(=O)CCC1CC1)c1ccccc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 734314084 MCMOPZJENDELIQ-AOMKIAJQSA-N 446.525 4.079 5 20 IIBD CCc1ccc(OC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)c([N+](=O)[O-])c1 734739856 MMHPGLONZMKLLX-UHFFFAOYSA-N 431.495 4.005 5 20 IIBD Cc1nn(CCC(=O)O[C@@H](Cc2ccccc2Br)C(C)C)c(C)c1[N+](=O)[O-] 735605735 ZUJJQVYYPGDZQY-KRWDZBQOSA-N 438.322 4.371 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@@H](C)Oc3ccccc3Cl)CC2)ccc1[N+](=O)[O-] 739371137 RBSNCWLXGMWKJN-CQSZACIVSA-N 434.876 4.236 5 20 IIBD O=C(O[C@@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1Br 740422391 JFYDZVZDRQTJOR-GOSISDBHSA-N 447.285 4.268 5 20 IIBD C[C@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@@H]1NC(=O)OC(C)(C)C 740828878 HKRQEZWKQNAIBR-BBRMVZONSA-N 446.529 4.094 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(Br)cc1F 741603604 MVCUGIOKOSDTEO-UHFFFAOYSA-N 431.601 4.189 5 20 IIBD CN(C(=O)OC(C)(C)C)c1ccc(OS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 742332053 JRMQPVZZQNIOKR-UHFFFAOYSA-N 442.877 4.387 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)cc([N+](=O)[O-])c1 742884875 FUOOAHAEDWCQAK-CYBMUJFWSA-N 443.456 4.219 5 20 IIBD CCc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 744554044 JZYKDPKXMLZENT-INIZCTEOSA-N 425.485 4.332 5 20 IIBD CCC[C@@H](NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccccc1 744562508 LVABGVKRZMHKEB-LAUBAEHRSA-N 439.512 4.398 5 20 IIBD O=C(CNc1ccccc1[N+](=O)[O-])OCc1ncc(-c2ccc(Br)cc2)o1 744850392 FRMQVDQKWHTUOO-UHFFFAOYSA-N 432.230 4.168 5 20 IIBD CC(C)C(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 745070783 DPWXNEFNEXCKIZ-HNNXBMFYSA-N 426.469 4.282 5 20 IIBD C[C@@H]1COCCN1CCNC(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34 746220626 LEIKPDLZWFDFFO-GOSISDBHSA-N 428.532 4.384 5 20 IIBD COc1cc(CN(C)C2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])cc1OC(F)F 746661054 FOSGKZGZEKWRMK-UHFFFAOYSA-N 445.463 4.036 5 20 IIBD COc1cc(N2CCC(OC(=O)C[C@@H](C)C(=O)c3cccc(F)c3)CC2)ccc1[N+](=O)[O-] 747123390 XGMRHYKJFLWGEV-OAHLLOKOSA-N 444.459 4.164 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC[C@@H]1COc2ccccc2C1 747585598 GMOUGJXWHXZULX-GFCCVEGCSA-N 426.416 4.073 5 20 IIBD CCCNC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1Cl 748632058 ZKENVSOBNVEBAQ-UHFFFAOYSA-N 434.836 4.165 5 20 IIBD O=C(OCc1nc(-c2ccc(F)cc2)no1)c1cc([N+](=O)[O-])c(Br)cc1F 751692205 MYPNQOVSEJZAEI-UHFFFAOYSA-N 440.156 4.043 5 20 IIBD Cc1ccc(-c2nnc(S)n2CCC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 752746140 PCUVMGCVMZDPQF-HNNXBMFYSA-N 425.514 4.026 5 20 IIBD O=C(NC1CCCC1)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2Br)cc1 753802172 VMFCCMVBTMPYCF-UHFFFAOYSA-N 432.274 4.282 5 20 IIBD C[C@H](Cc1ccccc1Br)NC(=O)c1cccc([N+](=O)[O-])c1Br 753837018 WDOGPLJDRDVKAR-SNVBAGLBSA-N 442.107 4.481 5 20 IIBD C[C@@H](NC(C)(C)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1ccccc1 754635104 HYIHSSPPLUSIIX-GFCCVEGCSA-N 438.297 4.356 5 20 IIBD C[C@@H](OC(=O)c1cc(-c2ccccn2)ccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1 754996142 BCWTVZFJQHMNGM-CYBMUJFWSA-N 425.828 4.494 5 20 IIBD C[C@@H](OC(=O)CCc1cn(C)c2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 756669053 KBFWNHJUXVKXPO-CYBMUJFWSA-N 429.860 4.243 5 20 IIBD CCOC(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2Br)ccc1Cl 758124875 HZDXYDHYHJDJCV-UHFFFAOYSA-N 427.638 4.440 5 20 IIBD C[C@H]1Sc2ccc(C(=O)OCc3coc(-c4ccc([N+](=O)[O-])cc4)n3)cc2NC1=O 760451646 PDAKHVLBAHTJQF-LLVKDONJSA-N 425.422 4.040 5 20 IIBD COc1ccccc1[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)c1ccccn1 760683742 SLFLHQPFOZGRPF-FQEVSTJZSA-N 436.424 4.043 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@H](C)C[C@@H](O)c3ccco3)cc2[N+](=O)[O-])n1 761685465 ZEKHUNSBKKMQJL-IAQYHMDHSA-N 433.511 4.346 5 20 IIBD COc1ccc(Br)cc1-c1noc(-c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)n1 761754344 QZOQQOZXOUHVMV-UHFFFAOYSA-N 442.229 4.269 5 20 IIBD Cc1onc(-c2ccccc2Cl)c1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 763058241 ZJGBNMQFDGLLMS-LBPRGKRZSA-N 429.816 4.396 5 20 IIBD CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] 764588797 FJEVLTVQARWHKP-SUMWQHHRSA-N 436.917 4.404 5 20 IIBD CNc1c(C(=O)OCc2csc(N(C(C)=O)c3ccc(F)cc3)n2)cccc1[N+](=O)[O-] 765513059 JBUCTERJXMFRMZ-UHFFFAOYSA-N 444.444 4.274 5 20 IIBD CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 765653453 XYBDIPWRNMRFHQ-QGZVFWFLSA-N 440.374 4.090 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(C(C)(C)C(=O)O)cc2)CC1 767196626 PSCBQZZQBNVMME-UHFFFAOYSA-N 425.485 4.446 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1SC 770318594 MPDHOBWYLRRBDN-UHFFFAOYSA-N 442.247 4.248 5 20 IIBD CS(=O)(=O)c1cc(C(=O)OCc2ccc(Oc3ccccc3)c(F)c2)cc([N+](=O)[O-])c1 771345740 QTUKKRPIQAJBSM-UHFFFAOYSA-N 445.424 4.287 5 20 IIBD CC[C@H](Cc1ccccc1Br)N(C)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 775405006 IIMWAAQPXFWAHK-MRXNPFEDSA-N 449.301 4.028 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 779163276 SDVORVGNNGYPST-TZMCWYRMSA-N 428.327 4.092 5 20 IIBD Cn1cc(-c2nc([C@@H]3CCCCCN3C(=O)Nc3ccc([N+](=O)[O-])c(Cl)c3)no2)cn1 780547826 OOUQUDWVXMUUJX-INIZCTEOSA-N 445.867 4.181 5 20 IIBD Cn1ccnc1[C@@H](NCC1(NC(=O)OC(C)(C)C)CCCCC1)c1ccc([N+](=O)[O-])cc1 780764590 GRZYQDGEICVAHT-IBGZPJMESA-N 443.548 4.235 5 20 IIBD O=c1cc(-c2ccccc2)c2ccc(OC[C@H](O)COc3ccccc3[N+](=O)[O-])cc2o1 783915458 JJDSMLOLFNKVCV-KRWDZBQOSA-N 433.416 4.187 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)C[C@H]21 784028053 BESBZMISNURZAQ-DUXKGJEZSA-N 441.532 4.041 5 20 IIBD C[C@H](OC(=O)C1(C(=O)O[C@H](C)c2ccccc2[N+](=O)[O-])CC1)c1ccccc1[N+](=O)[O-] 785326871 PHTJATIWXUFTSK-OKILXGFUSA-N 428.397 4.192 5 20 IIBD CCCc1cc(=O)oc2cc(OC(=O)c3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])ccc12 786272867 JLCZJRSLWWDJLO-UHFFFAOYSA-N 449.362 4.483 5 20 IIBD CC(=O)Nc1cccc(-n2cnnc2SCc2ccc(Br)c([N+](=O)[O-])c2)c1 788099825 PXGXVTYEPXPGJP-UHFFFAOYSA-N 448.302 4.189 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1nc2ccc(Br)cc2[nH]1 790807212 FLLKWNHVOHHAAG-UHFFFAOYSA-N 427.617 4.207 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 794753897 RZBWIJSYXMBWCF-HNNXBMFYSA-N 443.422 4.133 5 20 IIBD COc1cc([N+](=O)[O-])ccc1COC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 797473696 JTKMNRGOBHAHDU-UHFFFAOYSA-N 428.832 4.072 5 20 IIBD CC(C)(C)OC(=O)NC[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(C)(C)C 798807156 SPAZRNIYWCSFFN-AWEZNQCLSA-N 444.326 4.027 5 20 IIBD Cc1cc(Cl)c(C(=O)OCC(=O)N[C@H](c2ccccc2)c2nccs2)cc1[N+](=O)[O-] 815404624 QRZQAAFRHMKEAT-GOSISDBHSA-N 445.884 4.076 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 913416401 BVPZBWOXPZPEBX-UHFFFAOYSA-N 439.921 4.194 5 20 IIBD CNC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 918569129 QWVJTKYLQLTMTI-KBPBESRZSA-N 444.919 4.342 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)c1cccc(OC(F)F)c1)c1cccc([N+](=O)[O-])c1 918639048 ZSGFYUVZXQPPAX-QGZVFWFLSA-N 448.422 4.438 5 20 IIBD O=[N+]([O-])c1ccccc1CN(Cn1nc(N2CCCC2)sc1=S)CC(F)(F)F 919939363 QNPZCUNKVIDMNL-UHFFFAOYSA-N 433.481 4.204 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1[nH]c2ccc(C)cc2c1Cl 1317846429 MOELIAAERYZFJM-NSHDSACASA-N 431.832 4.231 5 20 IIBD CCCCOc1ccc(C(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc1OCC 1320949150 JNVBRTXDHXEFKL-UHFFFAOYSA-N 441.528 4.130 5 20 IIBD COc1cc(CCNC(=O)N2C[C@@H]3CCCC[C@]32c2ccccc2)c([N+](=O)[O-])cc1OC 1323426732 GPRCFUTUIHAMFL-CYFREDJKSA-N 439.512 4.265 5 20 IIBD O=C(COC(=O)CCc1nc2ccccc2n1-c1ccccc1)Nc1cccc([N+](=O)[O-])c1 1343463309 OZVLOMGBSSBOCR-UHFFFAOYSA-N 444.447 4.048 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 1347515087 OZYFBOKRPQJXRF-NOTZXAQLSA-N 436.556 4.364 5 20 IIBD C[C@H](Oc1ccccc1)C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1 1785752022 TZEPRLXUVKOSRP-INIZCTEOSA-N 449.463 4.403 5 20 IIBD C[C@H](Cc1ccco1)C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1 1790188597 XEDCCIUFGVNEGU-OAHLLOKOSA-N 436.468 4.142 5 20 IIBD CC(C)C1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccccc2[N+](=O)[O-])CCC1 1804345596 DQKXAHJEELGQEF-FCJRBGQTSA-N 425.529 4.073 5 20 IIBD Cc1c(C(=O)N2CCC3(CCCN(C(=O)C4CCC4)C3)CC2)cc(Cl)cc1[N+](=O)[O-] 1808912369 QBFVZAYLJJSHIJ-UHFFFAOYSA-N 433.936 4.202 5 20 IIBD CC[C@H](C)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2F)[nH]n1 1815044475 MIRIBAQTTZZFJZ-LIRRHRJNSA-N 445.495 4.128 5 20 IIBD Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)c(C)c1 1823613729 LIMZSDFWKNYDAG-FQEVSTJZSA-N 439.512 4.352 5 20 IIBD CC[C@H](C)CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830616807 OHRODYMLJMUSNS-OXJNMPFZSA-N 433.524 4.403 5 20 IIBD CC1(C)CCC(CC(=O)N2CCCC23CN(C(=O)Cc2cc([N+](=O)[O-])ccc2F)C3)CC1 1845257068 CZBGWROYDSEJNF-UHFFFAOYSA-N 445.535 4.086 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC12CN(C(=O)C[C@@H](C)c1ccccc1)C2 1845494186 VHHBPDBKPSXBOI-MRXNPFEDSA-N 439.487 4.053 5 20 IIBD COc1cc(C(=O)OCc2cc(=O)oc3cc(C)c(C)cc23)c([N+](=O)[O-])cc1OC(F)F 10209346 ZIKHNWCRBPNVMS-UHFFFAOYSA-N 449.362 4.285 5 20 IIBD COC(=O)c1c(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)sc2c1CCC2 10592453 AHGLLLKGQBLOGE-UHFFFAOYSA-N 449.535 4.272 5 20 IIBD COCCN(C(=O)[C@H](C)Oc1ccc(C)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 14790470 PYTXSAISTQRJKI-INIZCTEOSA-N 441.509 4.474 5 20 IIBD Cc1ccc(NC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@H]3C)cc2)cc1[N+](=O)[O-] 15409719 GWYNJILFAYJJST-CALCHBBNSA-N 425.485 4.324 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@H](NCCNc1ccccc1[N+](=O)[O-])c1ccccc1 15501216 BNPOQRFXSSIJOW-HSZRJFAPSA-N 434.496 4.293 5 20 IIBD CC(=O)c1ccc(N2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC2)c(F)c1 16111114 QRTUHRSJOOXCCO-UHFFFAOYSA-N 427.457 4.114 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1sc2cccc(F)c2c1C 17150459 QVSLIQKCORFASV-LLVKDONJSA-N 432.429 4.450 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 18017816 OVHTVRVOCZKDEI-GFCCVEGCSA-N 429.429 4.350 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CN(C)c1ccc([N+](=O)[O-])c2cccnc12 24058053 XGXPDOHDFUTECS-UHFFFAOYSA-N 429.274 4.289 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1 28799011 NGDVDYRUGPLEDB-UHFFFAOYSA-N 438.509 4.459 5 20 IIBD CN(Cc1cc(Br)cs1)C(=O)c1cc([N+](=O)[O-])ccc1Br 45626486 QCDBTBCDMJEBSD-UHFFFAOYSA-N 434.109 4.454 5 20 IIBD Cc1oc(-c2cccs2)nc1CC(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 107679375 DITUVTQPUWCSGX-NSHDSACASA-N 449.872 4.386 5 20 IIBD COc1ccc2oc(C)c(C(=O)N[C@@H](CC(=O)OC(C)C)c3ccccc3[N+](=O)[O-])c2c1 107916965 AJSRWKWCERTUBB-SFHVURJKSA-N 440.452 4.471 5 20 IIBD O=C(Nc1cc(Br)c[nH]c1=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 195672876 PMKRYDXPSYEXHS-UHFFFAOYSA-N 430.214 4.090 5 20 IIBD CCCCCC(=O)Nc1ccc(C(=O)Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)cc1 195741499 YCESORSOPOELLQ-UHFFFAOYSA-N 448.479 4.220 5 20 IIBD COc1cccc(-c2nnc(Sc3ncc([N+](=O)[O-])cn3)n2-c2ccc(Cl)cc2)c1 302149993 JYAHMQDUWPVFDP-UHFFFAOYSA-N 440.872 4.446 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ccc(COC2CCCC2)cc1 303777161 GGRGZOYYJYLOBF-UHFFFAOYSA-N 431.876 4.076 5 20 IIBD COC(=O)c1cc(C(=O)Nc2c(C)c(C(C)(C)C)nn2-c2ccccc2)cc([N+](=O)[O-])c1 410013909 WUUXWPKSFBOWNZ-UHFFFAOYSA-N 436.468 4.425 5 20 IIBD CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 426222266 JJMMVVDREAOWSG-APPDUMDISA-N 429.370 4.328 5 20 IIBD CCOC(=O)CN(CC(F)(F)F)C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 426400806 KZWUANGULVERNE-UHFFFAOYSA-N 442.415 4.314 5 20 IIBD CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCc1coc(-c2cccs2)n1 428276213 BWDOWZIIPFMLNW-UHFFFAOYSA-N 440.437 4.253 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1cnc2c(F)cccc2c1)c1ccccc1[N+](=O)[O-] 431668418 YAPAGYTVIXXXAI-SFHVURJKSA-N 425.416 4.095 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCN(c2ccccc2Cl)CC1 435838694 ZTCAEWGHUWQTFJ-UHFFFAOYSA-N 435.886 4.436 5 20 IIBD CC(C)NC(=O)Nc1ccc(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 436095252 AQXHKEJBTCYDLM-UHFFFAOYSA-N 428.492 4.141 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@@H]3C[C@H]3c3c(F)cccc3F)cc2)c(C)c1[N+](=O)[O-] 437277980 RZMYVOWBDGJUCR-VQIMIIECSA-N 426.423 4.021 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1cccc(-c2cccc(C)c2)c1 439741826 SMXXULCUDRNECP-UHFFFAOYSA-N 433.464 4.224 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3cc(Cl)cc(F)c3F)CC2)ccc1[N+](=O)[O-] 442208178 NREYYEAYANAIHO-UHFFFAOYSA-N 440.834 4.279 5 20 IIBD COc1cc(NC2CCN(C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc(OC)c1 443681101 DASQKIZODHVDTM-INIZCTEOSA-N 442.516 4.268 5 20 IIBD COc1cc(Cc2noc(-c3ccc(Br)c(F)c3)n2)c([N+](=O)[O-])c(OC)c1 445818850 NEZLPOLEJLWMKT-UHFFFAOYSA-N 438.209 4.154 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1 445830153 QKXRVBUYKYJWST-UHFFFAOYSA-N 443.456 4.106 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccccc1OC[C@H]1CCCCO1 445921900 OUEOPFRMEFPZER-MRXNPFEDSA-N 449.301 4.486 5 20 IIBD CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 446031449 MGZPMBCLQGSJJW-VOJFVSQTSA-N 441.709 4.446 5 20 IIBD CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 446440628 KIRHMPXEUZWOMY-VWLOTQADSA-N 445.519 4.016 5 20 IIBD Cc1cc(C)n(-c2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)c2)n1 447005872 IZFGTFCEYTYREA-UHFFFAOYSA-N 440.403 4.217 5 20 IIBD CN1CC[C@H](CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)[C@H]1c1ccc(Cl)c(F)c1 447586054 LCQQSXXSOIVZDK-KBMWQNTOSA-N 435.931 4.350 5 20 IIBD O=C1NCCCN1c1cccc(Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])c1 447671682 NMENHLBMWQFNNU-UHFFFAOYSA-N 431.321 4.307 5 20 IIBD CC(C)N(C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1cnc2ccccc2c1 448458912 KIAMFKWKJTXWBJ-UHFFFAOYSA-N 434.452 4.273 5 20 IIBD O=C(C[C@H](Cc1ccccc1)c1ccccc1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 461082443 GHFPZROXWWXPQY-VXKWHMMOSA-N 430.508 4.419 5 20 IIBD CC(C)(C)Cc1nc(-c2cccc(C(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)c2)no1 461394701 NXXOQEDRAKPTNB-UHFFFAOYSA-N 436.468 4.268 5 20 IIBD CC(=O)N1CCC(NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC1 466600097 WGKAZYWHCVHKIE-UHFFFAOYSA-N 433.917 4.140 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cc(Cl)ccc2O[C@@H](C)COC)cc([N+](=O)[O-])c1 470384613 WMMWGOQGXVDURF-LBPRGKRZSA-N 436.848 4.091 5 20 IIBD CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 470671991 UNDLHVGGESJJBC-UHFFFAOYSA-N 428.417 4.466 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 471504279 SFIFDOQAVGRQAD-WBVHZDCISA-N 446.500 4.455 5 20 IIBD O=C(Nc1cccc(N2C(=O)CCCC2=O)c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 473638533 CONWWZJZXFFRRI-UHFFFAOYSA-N 436.449 4.014 5 20 IIBD CC(=O)Nc1ncccc1NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 474210097 IUJNDIQSFIBWBH-UHFFFAOYSA-N 439.859 4.466 5 20 IIBD COC(=O)COc1ccc(CNC2(c3ccc(Br)cc3)CCC2)cc1[N+](=O)[O-] 474354003 OFIXJTCJOGXNMX-UHFFFAOYSA-N 449.301 4.078 5 20 IIBD CCOc1cc(N2CCN(C(=O)C3CCC(C(F)(F)F)CC3)CC2)ccc1[N+](=O)[O-] 477363658 DZYBGYHNSMDEFG-UHFFFAOYSA-N 429.439 4.011 5 20 IIBD COCCC1(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCC1 477804554 URDAWKRFLDRMDC-UHFFFAOYSA-N 434.496 4.065 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@H]3CCCOc4c(F)cccc43)cc2)c(C)c1[N+](=O)[O-] 478722310 MPDSGJOKKGDXND-FQEVSTJZSA-N 438.459 4.239 5 20 IIBD O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)NCCc1ccc(Cl)cc1[N+](=O)[O-] 479376499 NLXBYWQFUFSNDY-UHFFFAOYSA-N 435.267 4.243 5 20 IIBD COC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc(Cl)c1F 481581070 VREOHVTWEQWUPS-MRVPVSSYSA-N 431.203 4.233 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1 481859201 XMGWACUITSXADQ-UHFFFAOYSA-N 445.526 4.146 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccccc1)C(F)F 481875788 ZJWFDHRQLDYVRB-CQSZACIVSA-N 446.191 4.244 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(CN2C[C@H](C)O[C@H](C)C2)cs1 481988958 DTNRJTHTBVNKMD-BETUJISGSA-N 436.559 4.025 5 20 IIBD O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)N1CCN(c2ccccc2[N+](=O)[O-])CC1 482389775 RHNITGRVFAMPEU-QGZVFWFLSA-N 444.360 4.008 5 20 IIBD COc1cc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc(OC)c1 482500404 HIUCVRCTVAKKKK-UHFFFAOYSA-N 435.480 4.496 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3ccn(CC(F)F)n3)cc2[N+](=O)[O-])n1 482626367 AGYIMWPRRUQHJI-UHFFFAOYSA-N 425.442 4.225 5 20 IIBD CC[C@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)Oc1ccccc1Cl 482631228 OCZMURZMYKANFK-QGZVFWFLSA-N 431.920 4.438 5 20 IIBD CCCOc1cc(NC(=O)N2CC[C@@H]3[C@H](CCCN3C)C2)c([N+](=O)[O-])cc1OCCC 482749380 SSBCGMWHAGAZJN-SJLPKXTDSA-N 434.537 4.120 5 20 IIBD COCCc1noc(-c2cc(Cl)ccc2NC(=O)NCc2cccc([N+](=O)[O-])c2C)n1 484494541 CXRJADSHBXRKFI-UHFFFAOYSA-N 445.863 4.117 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(CCO)Cc1ccc(Br)s1 484681618 NFGCUXPYGPHSNG-UHFFFAOYSA-N 428.308 4.062 5 20 IIBD CC(C)(C)Oc1cc(NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)ccc1[N+](=O)[O-] 484959687 NSVQBKLJUJIRLK-IBGZPJMESA-N 427.501 4.293 5 20 IIBD O=C(NC[C@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1)c1ccccc1 485392403 UPJQNUCCPKUZPN-QGZVFWFLSA-N 434.471 4.442 5 20 IIBD Cn1cc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)n2)cn1 485436601 IFEYZSIEELAOSR-UHFFFAOYSA-N 434.481 4.316 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCO[C@@H](COCC4CC4)C3)cc2[N+](=O)[O-])cc1 485572825 FNXSRQMESRGPEJ-LJQANCHMSA-N 442.537 4.322 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)cc1SC 486531835 YESICZFBQHJGEM-KRWDZBQOSA-N 440.880 4.332 5 20 IIBD COC(=O)[C@](C)(CNC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C)c1ccc(F)cc1 487583451 JNTJKQZYPODWDZ-OAQYLSRUSA-N 434.489 4.095 5 20 IIBD Cn1c(SCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)nnc1-c1cccc(Cl)c1 488926311 RATUIXUYNFWVCQ-UHFFFAOYSA-N 428.861 4.386 5 20 IIBD CN(Cc1ccccc1)CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 489033490 HGSCNXJDXJFYTG-UHFFFAOYSA-N 433.455 4.180 5 20 IIBD Cc1cc(=N[C@H](c2ccc(Cl)cc2)c2nccn2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 489174234 IOKVJCGNBPEDEL-HXUWFJFHSA-N 434.887 4.371 5 20 IIBD CSC[C@@H]1CCCN1C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 489363966 ISFRYJSYFLMFIS-HNNXBMFYSA-N 431.480 4.184 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1ccc(F)cc1 489669319 UWMYUZAPXYQHTE-LBPRGKRZSA-N 445.476 4.140 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 489992132 XRZMZZGPNIPBPU-CQSZACIVSA-N 447.333 4.472 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC1CCCC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 494222913 JEJBPIZRQWFCGT-UHFFFAOYSA-N 427.848 4.403 5 20 IIBD CN(C(=O)[C@@H]1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1)c1ccccc1 499685453 TUMKAJXFJZASRZ-LJQANCHMSA-N 444.491 4.464 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H](Cn1ccccc1=O)c1ccccc1 499955923 ZKUIDTXGEOFRRM-QGZVFWFLSA-N 443.912 4.060 5 20 IIBD CCOc1c(OC)cc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1OC 500181370 UUCLZWUFKXKJSW-UHFFFAOYSA-N 443.481 4.064 5 20 IIBD Cc1ccc(Br)cc1NC(=O)CCNC(=O)Nc1cc([N+](=O)[O-])ccc1C 501124453 ZABFSZPLBCJVGA-UHFFFAOYSA-N 435.278 4.124 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)cc1[N+](=O)[O-] 501920071 USFYIVQVVKMTTR-SFHVURJKSA-N 435.509 4.167 5 20 IIBD CC(C)Oc1ccc(CNc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])cc1 502100046 TXGSHNKVRDJCGH-UHFFFAOYSA-N 433.530 4.169 5 20 IIBD COc1cc(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)ccc1[N+](=O)[O-] 503773551 AOGNEYOMHVBNMG-UHFFFAOYSA-N 430.848 4.358 5 20 IIBD COc1ccc(Br)cc1[C@H]1CCCN1C(=O)CNc1ccccc1[N+](=O)[O-] 504901642 HGGHGMCVRZYLBG-MRXNPFEDSA-N 434.290 4.142 5 20 IIBD CCCn1nccc1C1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC1 505161542 AORHJLBYSHSLJG-UHFFFAOYSA-N 432.499 4.447 5 20 IIBD Cn1cc(CN2CCCN(CCCc3ccccc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 505302653 XRSKSHVAPFSQDV-UHFFFAOYSA-N 433.556 4.136 5 20 IIBD CC1(C)CN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C[C@](C)(C(F)(F)F)O1 505752504 GFMALHJIPNTEGZ-OAQYLSRUSA-N 436.405 4.392 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1cccc2c1CN(CC(F)(F)F)C2 505979429 QFGUPPOQGKWUDL-UHFFFAOYSA-N 446.385 4.038 5 20 IIBD Cc1cccc(C)c1NC(=O)CN1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 506016057 CQNXMANYZZOMGP-UHFFFAOYSA-N 448.523 4.228 5 20 IIBD Cc1cc(C)cc(OC[C@@H](O)COc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 506341476 WCNPBPUELXCDCG-NRFANRHFSA-N 436.464 4.283 5 20 IIBD Cc1cc(OCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c(Cl)cc1[N+](=O)[O-] 506539396 PXEIBMNPDATBRU-KRWDZBQOSA-N 446.887 4.460 5 20 IIBD COc1cc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C(=O)N2CCCCC2)cc1OC 507380987 LMBUQVUKNXTZBP-UHFFFAOYSA-N 447.875 4.144 5 20 IIBD O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1I 508770799 QHPRTRJUSLOCFI-FRRDWIJNSA-N 428.270 4.288 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)c1ccc(-n2cccn2)c(F)c1 508781731 ZYRHORLGQMNZOA-STQMWFEESA-N 432.839 4.218 5 20 IIBD CC[C@H](C)n1nc(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)cc1C 509330239 FAXSVLHPFCBYEP-VIFPVBQESA-N 442.257 4.236 5 20 IIBD CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 510253474 JRNMSJAGPDHSKG-UHFFFAOYSA-N 448.317 4.383 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2cc(C(C)C)nn2-c2ncccn2)cc1[N+](=O)[O-] 510553566 QKDPWOXMAYNDLK-UHFFFAOYSA-N 445.277 4.017 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCN[C@H](c2cccc(Cl)c2)C1 513988795 DCBULVNLTNYMJH-KRWDZBQOSA-N 428.901 4.158 5 20 IIBD O=C(Nc1ccc(OC(F)F)c2ncccc12)N1CCN(c2ccccc2[N+](=O)[O-])CC1 517304233 YSCJYKXTLCGZFB-UHFFFAOYSA-N 443.410 4.099 5 20 IIBD Cc1cc(OCc2nc(CC(=O)Nc3ccccc3C(F)(F)F)no2)ccc1[N+](=O)[O-] 518005794 KBAQBAZPJFKMRK-UHFFFAOYSA-N 436.346 4.065 5 20 IIBD Cc1ccccc1-n1nc(C)c(CN(C)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1C 518658565 GJCUMBQOSMHBKK-UHFFFAOYSA-N 448.932 4.180 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(Cc2ccccc2)CC2CCOCC2)cc1SC 518893759 ATIPYHAWVHRCNG-UHFFFAOYSA-N 430.526 4.394 5 20 IIBD CCN(Cc1ccc(Cl)cc1)C(=O)[C@H](CCSC)NC(=O)c1cccc([N+](=O)[O-])c1 521750062 FTAOVGRSAABLQU-IBGZPJMESA-N 449.960 4.148 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)ccc1[N+](=O)[O-] 522438073 HEMVCOHQNNUXBO-UHFFFAOYSA-N 441.296 4.256 5 20 IIBD COc1ccc(CC[C@H]2CCCCN2C(=O)COc2cccc([N+](=O)[O-])c2)cc1OC 523556255 PWCDPZKKTIYNLR-GOSISDBHSA-N 428.485 4.005 5 20 IIBD COC(=O)c1ccc(CCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)cc1 524622366 KVVRQXZVPYXTTE-UHFFFAOYSA-N 425.466 4.385 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)c1nn(-c2cccc(Br)c2)c2c1CCC2 525520141 OZJXZITXVCUINW-UHFFFAOYSA-N 427.258 4.284 5 20 IIBD CC(=O)Nc1ccccc1CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 525599278 KDKYMASOJQSLDZ-OAHLLOKOSA-N 433.468 4.051 5 20 IIBD CCn1cc(S(=O)(=O)N(Cc2ccc(-c3ccccc3C)s2)C(C)C)c([N+](=O)[O-])n1 532855308 QBZUDAPCXVINFV-UHFFFAOYSA-N 448.570 4.447 5 20 IIBD Cc1ccccc1[C@@H](OC[C@@H](O)Cn1cc(Br)c([N+](=O)[O-])n1)c1ccccc1 533675810 XVHAZDKEQUQQKE-LPHOPBHVSA-N 446.301 4.029 5 20 IIBD COc1ccccc1[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccn1 534108388 YELCOOSEPLBPRQ-QHCPKHFHSA-N 432.480 4.462 5 20 IIBD C[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H](OC1CCOCC1)c1ccccc1 534728244 KKSOPTIEZKIGAW-GYCJOSAFSA-N 437.496 4.060 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 536294645 SCKDLOIWTLKXPX-MRXNPFEDSA-N 446.328 4.429 5 20 IIBD O=C(NCCOc1cccc(Br)c1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 537207351 KFRKSPPQHQNCCP-UHFFFAOYSA-N 442.269 4.228 5 20 IIBD COc1cc(CCNC(=O)N[C@H]2CCCOc3cc(Cl)ccc32)c([N+](=O)[O-])cc1OC 537256176 SLOWXJBKIGIARK-INIZCTEOSA-N 449.891 4.021 5 20 IIBD O=[N+]([O-])c1ccccc1-c1ccc(CN(CCO)Cc2cnn(Cc3ccccc3)c2)o1 537626737 DIQYLLGIHPWRAG-UHFFFAOYSA-N 432.480 4.094 5 20 IIBD CSc1ccc([C@H](CC(=O)O)NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 540701654 CKNFUGIFAZLOMI-INIZCTEOSA-N 443.506 4.386 5 20 IIBD Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 540895414 HOZCEPMWNAKPDN-UHFFFAOYSA-N 444.463 4.267 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cccc(CSC2CCOCC2)c1 542374007 RUIKXQRURXPFGD-UHFFFAOYSA-N 431.514 4.337 5 20 IIBD Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NCc1c([N+](=O)[O-])ncn1C 542575653 PLTCZHBWLYGKBF-SNVBAGLBSA-N 436.335 4.374 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(Cc3nc(Cc4nc(O)c5c(C6CC6)csc5n4)no3)c2c1 546282747 YZNLAJCKQFNDBF-UHFFFAOYSA-N 448.464 4.228 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3nc(-c4ccc(N5CCOCC5)cc4)no3)cs2)cc1 546413362 SBRIBSVXPGVXMI-UHFFFAOYSA-N 435.465 4.272 5 20 IIBD O=[N+]([O-])c1cc(CNCc2ccnc(N3CCOCC3)c2)ccc1Oc1ccc(F)cc1 550847945 WTJXNTMLAXBGLT-UHFFFAOYSA-N 438.459 4.048 5 20 IIBD CCCS(=O)(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c1 550968817 DSQDMISYOXOBON-UHFFFAOYSA-N 431.392 4.018 5 20 IIBD C[C@@H]1C[C@@H](CCN[C@H](c2cccc([N+](=O)[O-])c2)c2nccn2C)CN1Cc1ccccc1 552062960 LIWHRXQIJZRVRA-ZILOHOTNSA-N 433.556 4.308 5 20 IIBD C[C@@]1(c2ccccc2)CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 553179722 JDWXUSPVTDQBCN-WZONZLPQSA-N 441.553 4.231 5 20 IIBD C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] 554023591 TVGLZXQVKYVBQW-ZDUSSCGKSA-N 438.297 4.312 5 20 IIBD Cc1ccc([C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c2ccccn2)cc1 556552453 CZARKPHXHVAENC-QFIPXVFZSA-N 446.507 4.440 5 20 IIBD CCc1csc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 557005611 ZHGZRASZDCPGET-UHFFFAOYSA-N 428.436 4.488 5 20 IIBD CS(=O)(=O)c1cc(-c2nc(C3(c4ccccc4F)CCCC3)no2)cc([N+](=O)[O-])c1 559988191 ZVPYLLZPSWDHQX-UHFFFAOYSA-N 431.445 4.048 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(C)cc1Sc1nnc(COc2ccc(Cl)cc2)o1 561105141 JPPAZSUGWPITHX-UHFFFAOYSA-N 435.845 4.456 5 20 IIBD Cc1c(NC(=O)C(=O)NC2(c3ccccc3)CCCC2)cc(Br)cc1[N+](=O)[O-] 573293297 IUJWAXBHHNOCPS-UHFFFAOYSA-N 446.301 4.190 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 575158090 UQXXAXSDIXZAJU-INIZCTEOSA-N 429.326 4.238 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(-c2nc(-c3cc(Br)c(C)nc3OC)no2)c1 577025272 FPDCVOFQVPYMAN-UHFFFAOYSA-N 435.234 4.185 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1Sc1nnc([C@@H](C)N(C)C)n1-c1ccc(Cl)cc1 577374209 SLAFVMKHWVDICA-LLVKDONJSA-N 435.941 4.128 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H]2c2nc(CCC3CCCCC3)no2)c1 583590089 ZPYSBTQZJFHJRY-SFHVURJKSA-N 434.518 4.017 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC(c3c[nH]nc3C)CC2)c([N+](=O)[O-])c1 585754955 XTEZZEFLRDRKOR-HSZRJFAPSA-N 433.512 4.494 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc4c(c3)OCCCO4)cc2[N+](=O)[O-])C1 602094492 ZCYVHJNYKMTLFK-IYBDPMFKSA-N 425.485 4.491 5 20 IIBD O=C1[C@@H](c2cccs2)N(Cc2ccccc2)C(=O)N1CCOc1ccc([N+](=O)[O-])cc1 603677867 GSIWQULUZWUACV-HXUWFJFHSA-N 437.477 4.241 5 20 IIBD C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 603732673 SAYAIDOYBUJTRW-AWEZNQCLSA-N 436.493 4.470 5 20 IIBD Cc1cc(C)n(-c2ccc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)cc2F)n1 603990328 YSCWYPCQUPNFRM-UHFFFAOYSA-N 437.475 4.392 5 20 IIBD Cc1cccc(CN(Cc2ccco2)C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 609392773 VFRRWFBDUSZLBR-UHFFFAOYSA-N 441.871 4.108 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 609433149 YNMVBUDCTDIHTG-UHFFFAOYSA-N 437.327 4.365 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)cc1OC 609694119 RSFJRKNVYOHBSV-PMERELPUSA-N 434.514 4.302 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NC[C@H]3CCCO[C@H]3C(C)(C)C)cc2)c(C)c1[N+](=O)[O-] 609819889 FVFGUTDMDOZGDU-TZIWHRDSSA-N 428.533 4.028 5 20 IIBD CN(CC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1[N+](=O)[O-] 610290412 SWACBDXCKZFAAF-GHMZBOCLSA-N 427.345 4.057 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc(F)cc1OC1CCCC1 610912314 YHHOIWVPBSFRIF-UHFFFAOYSA-N 443.431 4.382 5 20 IIBD CCC(CC)C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC1 611200035 FWHUXKUVUILFQO-UHFFFAOYSA-N 433.574 4.350 5 20 IIBD CC[C@@H](Nc1ncnc2ccc([N+](=O)[O-])cc12)c1ccccc1OCC(=O)N1CCCC1 611709861 UPDGEHROCHKTOV-LJQANCHMSA-N 435.484 4.102 5 20 IIBD COC(=O)c1cccc(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c1N 619812555 VAAIPHOIYNFOIL-UHFFFAOYSA-N 444.494 4.132 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)ccc1[N+](=O)[O-] 725948113 KUKADRBRDCNQIU-SECBINFHSA-N 446.765 4.460 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N1CC[C@@H](N2CCCC2)C1 727160191 WYNSLAJODXPKLO-WIYYLYMNSA-N 428.920 4.098 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1I)C(C)(C)c1ccccc1 728002364 RZYQIDCCNNPZJU-GFCCVEGCSA-N 438.265 4.296 5 20 IIBD COc1cc(OCC(=O)O[C@@H](c2ccc(Cl)cc2)c2cccnc2)ccc1[N+](=O)[O-] 730431993 YJJUVXPKOCDIII-NRFANRHFSA-N 428.828 4.363 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cnn3ccccc23)cc1)c1cc([N+](=O)[O-])ccc1Cl 731958495 VXJDVRXXCHENMK-UHFFFAOYSA-N 436.811 4.367 5 20 IIBD O=C(Nc1ccc(Oc2ccc(Cl)nn2)cc1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 733367219 VFEKFVCHUYMGEC-UHFFFAOYSA-N 437.799 4.337 5 20 IIBD COc1ccc(NC(=O)CNc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c([N+](=O)[O-])c1 735308504 ZBDZJYZJIMJHSJ-UHFFFAOYSA-N 438.396 4.355 5 20 IIBD O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc(Cl)nc(N2CCCC2)c1 735442072 FGTMQCXVGAPUIV-UHFFFAOYSA-N 428.832 4.255 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 735566057 VAVMAKSSZULLKN-MRXNPFEDSA-N 432.864 4.200 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 740482901 IDUQNVVFZUKGIN-KRWDZBQOSA-N 448.564 4.252 5 20 IIBD COc1cc(C(=O)OC[C@@H]2CCC(=O)N(C)[C@H]2c2cccc(Cl)c2)ccc1[N+](=O)[O-] 740605144 QBFPAGXUWMBZLN-YWZLYKJASA-N 432.860 4.023 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 741526171 OOIGXWQNOLNPSK-CQSZACIVSA-N 448.932 4.139 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1ccc(CC(F)(F)F)cc1 741652838 TYJZKROCSJUCTA-UHFFFAOYSA-N 439.209 4.263 5 20 IIBD Cn1c(SC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nc2cc3ccccc3cc2c1=O 741853774 KEFHCHOFEQURPU-OAHLLOKOSA-N 425.554 4.436 5 20 IIBD Cc1ccc(/C=C/c2nc(=S)n(CN3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)[nH]2)o1 743390406 JTMQBQFZBITTFJ-CMDGGOBGSA-N 441.513 4.422 5 20 IIBD O=C(O[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1cc(Cl)ccc1[N+](=O)[O-] 744489054 HBFLJKIVIZPCFI-MRXNPFEDSA-N 440.786 4.202 5 20 IIBD CCc1cnc(COC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)o1 744571625 VDQAVBYVSJVVJN-UHFFFAOYSA-N 429.816 4.408 5 20 IIBD C[C@H](OC(=O)[C@H]1C[C@]12CCCc1ccccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 745715015 GTHWGOKPFPORCD-GZOOOWMASA-N 428.872 4.413 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccc(Br)cc1 750181650 SIRPLPUNQBCPBI-CQSZACIVSA-N 441.665 4.045 5 20 IIBD COc1ccc2oc(C)c(C(=O)OCC3CCN(c4ccc([N+](=O)[O-])cn4)CC3)c2c1 750435876 MXQXVCRYJMEHQW-UHFFFAOYSA-N 425.441 4.126 5 20 IIBD O=C(c1nc(Cl)ccc1Cl)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 750584068 ZYTCQFLRKDGKJI-UHFFFAOYSA-N 431.073 4.258 5 20 IIBD Cc1cc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])ccc1N1CCSCC1 750827170 WSKHJCFNVFZJRE-UHFFFAOYSA-N 436.331 4.471 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 750924443 QYSQKTYVJLIJMP-XHDPSFHLSA-N 442.741 4.100 5 20 IIBD CCOc1cc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)ccc1OCC(F)(F)F 751034845 GZJZLUKAJMTSPP-NVNXTCNLSA-N 436.342 4.279 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(CS(=O)(=O)Cc2coc(-c3c(F)cccc3F)n2)c1 751587720 ZUGBAYBFMDWVPR-UHFFFAOYSA-N 428.800 4.296 5 20 IIBD O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)C1=Cc2cc(Br)ccc2OC1 751635534 CGRLSAHQFOWKTF-UHFFFAOYSA-N 431.198 4.018 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1 752200431 FMYONHDKHPSWFK-UHFFFAOYSA-N 449.341 4.373 5 20 IIBD COC(=O)c1sc(NC(=O)c2cccc([N+](=O)[O-])c2Br)nc1C(C)(C)C 753832697 GTOAEJAYSWVDRT-UHFFFAOYSA-N 442.291 4.150 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1ccccc1)C[C@@H](O)c1ccsc1 756904054 TVKBAMIHUDWIAN-OAQYLSRUSA-N 425.510 4.139 5 20 IIBD C=CC(=O)Nc1cc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1F 758281298 YJVPZCSIFKNPCY-UHFFFAOYSA-N 440.353 4.318 5 20 IIBD O=[N+]([O-])c1cc(CSc2nc(CN3CCOCC3)nc3ccccc23)ccc1Cl 760150961 TUCHPTHBNVMBLF-UHFFFAOYSA-N 430.917 4.316 5 20 IIBD Cc1cc(F)cc(C(=O)Nc2cc(NC(=O)CN3CCCC[C@H]3C)ccc2F)c1[N+](=O)[O-] 760365494 TZVJKMHOTRXASW-CQSZACIVSA-N 446.454 4.247 5 20 IIBD CC[C@@H]1c2ccsc2CCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 760853657 FLRYKKNJKCMHFB-CYBMUJFWSA-N 431.333 4.117 5 20 IIBD O=Cc1ccc(OCC(=O)Nc2cccc(CC[C@H](O)c3ccccc3)c2)c([N+](=O)[O-])c1 763004025 VRJQNSSWFAKVQP-QFIPXVFZSA-N 434.448 4.091 5 20 IIBD Cc1sc2nc([C@@H](C)OC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)nc(O)c2c1C 763869124 DPSKQWGSEOVPIN-LLVKDONJSA-N 439.453 4.026 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC(O)(c2ccccc2Cl)CC1 765514811 YAHPNYSGSBNKFS-UHFFFAOYSA-N 431.920 4.264 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC(O)(c2ccccc2Cl)CC1 765926395 JNPBSLFHRCQJLQ-UHFFFAOYSA-N 439.693 4.135 5 20 IIBD C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 767082758 AXMLCPPKSMLGHQ-SECBINFHSA-N 427.201 4.027 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 767992423 UBJSZIVJXWDAOA-HXUWFJFHSA-N 435.871 4.093 5 20 IIBD C[C@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1Cl 768881932 MCPGXBMJZMPJAJ-NSHDSACASA-N 443.934 4.125 5 20 IIBD CC1(CNC(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)OCCO1 769023790 PZULUDKDURFYQG-FOWTUZBSSA-N 439.493 4.014 5 20 IIBD O=C(c1cc(N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)ccc1[N+](=O)[O-])N1CCCC1 772905859 KPFGHGCDQRRZGR-GCJKJVERSA-N 427.476 4.062 5 20 IIBD C[C@H](Nc1ccc(C(=O)OCCOc2ccnc(Cl)c2)cc1[N+](=O)[O-])c1ccccn1 775274608 RWLXYGKXTHNWHJ-AWEZNQCLSA-N 442.859 4.447 5 20 IIBD CCCCN(c1ccccc1C(=O)O)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C 776652550 NWEOPCZAZPVMLY-UHFFFAOYSA-N 426.878 4.250 5 20 IIBD CC(C)(C)OC(=O)N1CCCc2c(C(=O)NCCc3ccc([N+](=O)[O-])cc3)cccc21 778561487 DIRPWJHYPNIEQN-UHFFFAOYSA-N 425.485 4.255 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cc1 778681782 CIBNXANPMNUKFQ-GFCCVEGCSA-N 429.429 4.162 5 20 IIBD CCc1cccc(N2C(=S)N[C@H](c3ccc([N+](=O)[O-])s3)C(C(=O)N(C)C)=C2C)c1 782247767 DXADOYAPDSKCBB-GOSISDBHSA-N 430.555 4.017 5 20 IIBD Cc1csc(SCc2ccccc2C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 785587595 NPTDIMKZKFUIMS-UHFFFAOYSA-N 443.554 4.326 5 20 IIBD C[C@H](OC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])C(=O)c1c[nH]c2ncccc12 787253280 SGDWLUSDTLBYOC-HNNXBMFYSA-N 445.431 4.478 5 20 IIBD Cn1c(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])nc2cc(F)ccc21 787339776 KLBKXOQOTFPBNB-UHFFFAOYSA-N 434.427 4.130 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)cs1 788493647 JMCMELRADDYNLX-UHFFFAOYSA-N 447.281 4.346 5 20 IIBD O=[N+]([O-])c1cccc([C@H](O)CN[C@H](Cc2ccccn2)c2ccc(Br)cc2)c1 789447002 NRYOGVPODFJFFP-NHCUHLMSSA-N 442.313 4.359 5 20 IIBD CCOc1cc(OS(=O)(=O)c2cc(Br)sc2Cl)ccc1[N+](=O)[O-] 790925522 SCNLFRHXQNCONC-UHFFFAOYSA-N 442.696 4.239 5 20 IIBD Cc1c(CNC(=O)Nc2cccc(OCCNC(=O)OC(C)(C)C)c2)cccc1[N+](=O)[O-] 792294716 MMKYUQIAJDAQSS-UHFFFAOYSA-N 444.488 4.128 5 20 IIBD COc1ccc(Cl)cc1CN(C)C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 792956125 NRWRYALWKKGFIP-UHFFFAOYSA-N 433.892 4.151 5 20 IIBD CC(C)[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)c1cccnc1 797855188 RPASDVFJJHQYRI-LJQANCHMSA-N 436.434 4.097 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 799235402 YNQHZBLBCYLGMW-UHFFFAOYSA-N 448.520 4.248 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 799235408 YTMWAKONZMLXEL-HNNXBMFYSA-N 436.509 4.104 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)Nc1cccc(COc2cccc(F)c2)c1 800627872 QBYYYQBZXCGLGZ-UHFFFAOYSA-N 441.390 4.338 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccc(Cl)c(F)c1N1CCOCC1 801101783 NLCVGBBCZWYRBK-UHFFFAOYSA-N 446.237 4.198 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(=Cc2cccc(F)c2)CC1 802492385 SOJVNZJTJDZXRZ-UHFFFAOYSA-N 437.475 4.323 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)OC(C)(C)C)C1 810317912 JMRHACCDIYHQME-CGTJXYLNSA-N 432.521 4.314 5 20 IIBD CC(C)(CCc1noc(-c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)n1)[N+](=O)[O-] 812814497 YTGYXHMOHMEOJK-UHFFFAOYSA-N 428.449 4.173 5 20 IIBD Cc1cc(Cl)c(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1[N+](=O)[O-] 815405723 HEESWVQGUSXRQV-SECBINFHSA-N 442.211 4.302 5 20 IIBD CC(C)[C@H]1N(C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC12CCC2 816799939 PQPUKCPCAQHPFR-HXUWFJFHSA-N 444.509 4.013 5 20 IIBD CC(C)CNC(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 881447632 GIMDTQBOVRMESS-UHFFFAOYSA-N 441.553 4.370 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1C 917258384 QYPHHNPQJOHKPE-ZDUSSCGKSA-N 440.374 4.337 5 20 IIBD C[C@H](c1ccc(Cl)cc1)N(CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)C1CC1 920305769 OZLHUPYVXAZKBK-PEBXRYMYSA-N 442.903 4.198 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[C@H](C)Cc1ccc(F)cc1 921001479 ZNMJYBKYNDIHAL-OAHLLOKOSA-N 426.448 4.400 5 20 IIBD C[C@H](OC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C(=O)N(C)Cc1c(F)cccc1Cl 927508112 QEBRDPCRPPCDMV-NSHDSACASA-N 433.823 4.073 5 20 IIBD O=C1CNC(=O)N1c1cccc(NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c1 1322734807 WQFKDYBOOKTLSR-UHFFFAOYSA-N 426.816 4.177 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2c2nnc(-c3cccc4ncccc34)o2)ccc1[N+](=O)[O-] 1322902741 CNUHYHNQFYCRNN-FQEVSTJZSA-N 429.436 4.479 5 20 IIBD COc1ccccc1NC(=O)C1CCN(Cc2ccc([N+](=O)[O-])cc2Br)CC1 1324149764 FHAKOIFYKCJTIA-UHFFFAOYSA-N 448.317 4.217 5 20 IIBD COc1ccc(-c2cc(NS(=O)(=O)c3cc([N+](=O)[O-])c(O)cc3C)ccc2OC)cc1 1324643905 FCVOPMVZLZMCEL-UHFFFAOYSA-N 444.465 4.094 5 20 IIBD Cc1nccn1-c1ccncc1NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 1328356283 RYUKIQLJSFRBTG-HZPDHXFCSA-N 434.500 4.219 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(Br)cc1Br 10797973 FSJQNASYFYRIPU-UHFFFAOYSA-N 430.052 4.137 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)cc([N+](=O)[O-])c1 14657905 AYKMYMJPBHEHTA-UHFFFAOYSA-N 439.449 4.350 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 15171926 WQDXKVPJIIXDKT-MRXNPFEDSA-N 426.498 4.378 5 20 IIBD Cc1ccc(NC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)cc1[N+](=O)[O-] 15629551 JEOVGUZZNYUITF-UHFFFAOYSA-N 426.479 4.042 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1cc2ccccc2o1 23927964 CITZMZQMLHSSOO-KSSFIOAISA-N 441.509 4.070 5 20 IIBD Cc1ccc(-n2cnnc2S[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1Cl 24304970 DOIFCKHZVLWEHL-NSHDSACASA-N 435.868 4.396 5 20 IIBD COc1ccccc1[C@H](C)NC(=O)[C@H](C)OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 25374968 ONDOCYSDPMSIMP-STQMWFEESA-N 428.466 4.241 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nncn1-c1ccc(C)c(Cl)c1 26372762 NSJNQHPFRVZOCK-UHFFFAOYSA-N 447.904 4.267 5 20 IIBD CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 31329791 VRSLHRYLSDPHIW-UHFFFAOYSA-N 437.418 4.368 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CC(=O)N(Cc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 64331953 QKSMWOGZSTYXFI-UHFFFAOYSA-N 426.492 4.236 5 20 IIBD O=C(c1csc(-c2cccc(Cl)c2)n1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 109188955 LFDKLFACXPXNQQ-UHFFFAOYSA-N 442.928 4.330 5 20 IIBD CCNc1ccc(C(=O)N[C@@H](c2ccccc2)c2nc3ccccc3n2C)cc1[N+](=O)[O-] 116147724 MRZQUDYUZXJOKQ-QFIPXVFZSA-N 429.480 4.433 5 20 IIBD COc1cc(C(=O)N(C)CC2(c3ccc(Br)cc3)CC2)c([N+](=O)[O-])cc1OC 303812991 CYGPVZDMPLQKFW-UHFFFAOYSA-N 449.301 4.178 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N(CCOC)Cc2ccc(F)cc2Cl)cc1OC 409964404 SQBFXWNDOSXNQX-UHFFFAOYSA-N 440.855 4.083 5 20 IIBD Cc1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)cc1[N+](=O)[O-] 410417484 KVBZOOMOKMKEEN-HSZRJFAPSA-N 445.475 4.073 5 20 IIBD C[C@@H](CC(=O)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1)c1c[nH]c2ccccc12 427457077 RUWKQXBPCPKSEG-INIZCTEOSA-N 446.511 4.185 5 20 IIBD CCc1ccccc1N(C(C)=O)c1nc(COc2ccc([N+](=O)[O-])c(CO)c2)cs1 428243324 BICAWJGLTNKABU-UHFFFAOYSA-N 427.482 4.370 5 20 IIBD COc1ccc(Br)c(CN(C)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1 429005322 JEJGTUSSVHNPJW-UHFFFAOYSA-N 442.697 4.361 5 20 IIBD CC(C)(NC(=O)Nc1ccc(CS(=O)(=O)C(C)(C)C)cc1)c1ccc([N+](=O)[O-])cc1 431407591 ZTEKLMYNAUGPCI-UHFFFAOYSA-N 433.530 4.365 5 20 IIBD CC1CCN(C(=O)c2ccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)cc2)CC1 431448705 ZIUMJSKJWGFAAC-UHFFFAOYSA-N 446.301 4.482 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3ccc(-c4ncco4)cc3)CC2)ccc1[N+](=O)[O-] 432252622 GXQFNGCIOXUIGG-UHFFFAOYSA-N 437.456 4.003 5 20 IIBD COc1cc(Br)c(S(=O)(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1Cl 433620438 ZPMCLPQGCHESDT-SECBINFHSA-N 449.710 4.059 5 20 IIBD Cc1cc(F)ccc1C(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 433866300 DGKMDBHZMKJEAD-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@](C)(CCc3ccccc3)C2)cc1OC 434248320 ISWGKMMRNHRVHF-DEOSSOPVSA-N 442.512 4.114 5 20 IIBD Cc1nn(CC(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)cc1-c1ccccc1 435540066 OOWDOXOYNCBINO-UHFFFAOYSA-N 432.402 4.358 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 436886004 IZAVVRTVVLAXEG-UHFFFAOYSA-N 425.268 4.429 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cccc(Oc3ccccn3)c2)ccc1[N+](=O)[O-] 437475531 LXRAITFXWJZOOH-OAQYLSRUSA-N 446.463 4.334 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 438667559 UUANRLWICIKUAF-UHFFFAOYSA-N 441.818 4.225 5 20 IIBD CC[C@H](C)n1ncc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1C1CC1 438667782 LUEJMWLZVYOSOU-HNNXBMFYSA-N 427.505 4.015 5 20 IIBD Cc1c(CC(=O)Nc2ccc(F)c(NS(=O)(=O)c3cccs3)c2)cccc1[N+](=O)[O-] 438901592 PBUGXCCOXJLLGJ-UHFFFAOYSA-N 449.485 4.086 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 439654767 LZNUWCBYKZYLHJ-GOSISDBHSA-N 433.390 4.321 5 20 IIBD C[C@@H](NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccc(Br)s1 443317047 QOOOWBNUQZGFAY-GFCCVEGCSA-N 439.335 4.012 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 444928440 GRZZQQCVRQQMRD-CYBMUJFWSA-N 449.305 4.014 5 20 IIBD CSc1nnc(-c2noc(-c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)n2)s1 445605017 OMCOVRIMOJAZLU-UHFFFAOYSA-N 426.483 4.497 5 20 IIBD CC[C@H](Cc1nc(Cc2cc(OC)cc(OC)c2[N+](=O)[O-])no1)c1ccc(OC)cc1 445819970 DOQSYKJHROCJFL-CQSZACIVSA-N 427.457 4.331 5 20 IIBD O=C(CCNC(=O)C1CCCCC1)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] 446433416 AVTVBZVULKKCQC-UHFFFAOYSA-N 425.485 4.199 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2nccs2)c(C(F)(F)F)c1 447036742 HDSGIYCOCYCWPB-OAHLLOKOSA-N 443.428 4.138 5 20 IIBD CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)NCCc1ccccc1[N+](=O)[O-] 460489992 KJCSRFOQDSJRTK-UHFFFAOYSA-N 426.473 4.194 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])c1nnc(-c2cc3ccccc3o2)n1C[C@@H]1CCOC1 461387132 RSBOFNGBVHZQDO-KRWDZBQOSA-N 447.495 4.315 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 461431144 QTWAMWNCJXKIGO-YSIASYRMSA-N 425.554 4.056 5 20 IIBD O=[N+]([O-])c1ccc(CN(c2nnc(CC3CCCC3)n2C[C@H]2CCOC2)C2CC2)cc1 461702516 OJEJHUNXANUDDY-LJQANCHMSA-N 425.533 4.125 5 20 IIBD CC(C)(NC(=O)NCc1cc(Br)cc2c1OCC2)c1ccc([N+](=O)[O-])cc1 463255732 CECBMHMETZCHEW-UHFFFAOYSA-N 434.290 4.027 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1SCCc2sccc21 463654063 SYUSGGSQQFFMRB-HNNXBMFYSA-N 431.461 4.234 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCc2c(Br)ccc(Cl)c2C1 464331647 HVVJLLUFGHCHIF-UHFFFAOYSA-N 427.657 4.277 5 20 IIBD O=C(c1ccnc(SCC(F)(F)F)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464657148 AOWCQOPJGNZYCN-UHFFFAOYSA-N 441.431 4.328 5 20 IIBD CC(C)c1nncn1CCNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 467514571 XPDJCJWHDSXTNC-UHFFFAOYSA-N 442.907 4.005 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 468177834 LXHNSQXYUIHVGM-SFTDATJTSA-N 433.512 4.002 5 20 IIBD COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1c(C)ccc([N+](=O)[O-])c1C 468898316 JVTSPWSQUFHSNX-GFCCVEGCSA-N 428.894 4.080 5 20 IIBD CCN1CC[C@@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@@H]1c1cc(F)c(F)c(F)c1 470144787 PCMQKAJRFSLTSQ-AEFFLSMTSA-N 426.370 4.108 5 20 IIBD CS(=O)(=O)c1cc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])ccc1Cl 472768677 INNBRKPQGBVIBN-UHFFFAOYSA-N 435.310 4.036 5 20 IIBD CNC(=O)c1cc2cc(NC(=O)c3ccc(N4C[C@@H](C)C[C@H](C)C4)c([N+](=O)[O-])c3)ccc2[nH]1 473561178 LLNAIDXZFRXCQX-GJZGRUSLSA-N 449.511 4.170 5 20 IIBD COC(=O)COc1ccc(CN(Cc2cccc(Br)c2)C2CC2)cc1[N+](=O)[O-] 475550631 IFEKSNCAWYZJCZ-UHFFFAOYSA-N 449.301 4.074 5 20 IIBD CC(=O)N1CCC[C@@H](CNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 477309356 OXXRIYOYNFAFRK-HNNXBMFYSA-N 447.944 4.388 5 20 IIBD CN1C(=O)C[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)[C@@H]1c1ccc(Cl)c(Cl)c1 479153493 BYINLEGPZMKHRR-JXFKEZNVSA-N 448.306 4.006 5 20 IIBD CCn1c(SCCCOc2ccc3c(c2)OCO3)nnc1-c1ccc([N+](=O)[O-])cc1 481358129 GLLRTYODMVXBNH-UHFFFAOYSA-N 428.470 4.163 5 20 IIBD COc1ccccc1C(C)(C)NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 486010983 BMFFWMUQGXSSDI-UHFFFAOYSA-N 425.407 4.476 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 486853275 IACCQLPJSMEGNA-WZONZLPQSA-N 426.517 4.271 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NC[C@@H]3SCCc4ccccc43)cc2)c(C)c1[N+](=O)[O-] 487871062 IJOCJBUPMCYYDB-NRFANRHFSA-N 436.537 4.217 5 20 IIBD O=C(Nc1ccc(F)cc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccn1 489099390 PHIFCTFCQUKOIK-UHFFFAOYSA-N 446.341 4.235 5 20 IIBD C[C@@H](Sc1nnc(-c2ccccn2)n1-c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] 489436181 ULKMDUQMVZAHNI-OAHLLOKOSA-N 446.492 4.357 5 20 IIBD COc1ccc(Cn2ccc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)n2)cc1 490379755 UAGRCIYAMHRRIY-UHFFFAOYSA-N 438.487 4.047 5 20 IIBD C[C@@H]1[C@H](NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CCN1Cc1ccccc1 494081658 ZXWWBQJFTUEWET-IVZQSRNASA-N 447.485 4.352 5 20 IIBD O=[N+]([O-])c1ccc([C@H]2SCCN2S(=O)(=O)Cc2cccc(C(F)(F)F)c2)cc1 497937144 IIVCLWPEHVMFOA-MRXNPFEDSA-N 432.445 4.191 5 20 IIBD CCC[C@H](N[C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1)C(=O)N1CCc2sccc2C1 504905547 KEIVAPZSESTXQV-QAPCUYQASA-N 431.558 4.459 5 20 IIBD CC(C)C[C@H]1COCCN1C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 505119250 JKJFRFOYXWZEAP-KRWDZBQOSA-N 443.466 4.104 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2ccnn2CCc2ccccc2)cc1[N+](=O)[O-] 510622589 PQYQIAOOTIIBKS-UHFFFAOYSA-N 429.274 4.357 5 20 IIBD COc1cc(CN2CCC[C@@H](c3ccnn3C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 510684449 SZQQFNOSQXGKLC-LJQANCHMSA-N 436.512 4.296 5 20 IIBD Cc1cc(C(=O)NC2CCCCC2)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C 511150741 QDYSUTCVHKVLIU-UHFFFAOYSA-N 431.514 4.075 5 20 IIBD CCOc1cc(CN2CC[C@H](C)C2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 511979035 QSPMDJHFRHWNCP-INIZCTEOSA-N 428.485 4.281 5 20 IIBD CNC(=O)c1ccc(NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 512380031 UHGVCYSDOHEJMR-UHFFFAOYSA-N 427.464 4.419 5 20 IIBD CO[C@@H](C)CN(C)[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 513258489 WXRPJGFCARRGRR-MGPUTAFESA-N 440.525 4.365 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Br)cnc1OCC(F)(F)F 513394837 JRMJPDMYNLXZQG-UHFFFAOYSA-N 434.168 4.254 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CCCC2)cc1[N+](=O)[O-] 513428243 DNNNAHKFHLIHNN-IBGZPJMESA-N 436.917 4.313 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 518285502 NTIXZCVIGYMJLT-CYBMUJFWSA-N 434.481 4.098 5 20 IIBD CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 518989921 BTZXXOUDPCSANC-UHFFFAOYSA-N 449.442 4.083 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC(N4CCCCC4)CC3)cc2[N+](=O)[O-])C1 519900825 AEBWOMSLIGAWMA-RTBURBONSA-N 428.577 4.168 5 20 IIBD Cc1nc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)sc1Cc1ccc(F)cc1F 520307794 YLFQSWOPEOJZNM-UHFFFAOYSA-N 447.419 4.252 5 20 IIBD O=C(NCCN1C(=O)Cc2ccccc21)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 522708013 BJNZLINAPRIXSU-UHFFFAOYSA-N 432.436 4.098 5 20 IIBD CC(C)(C)[C@H](CC1CCCCC1)NC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 523038814 HYLDDETXSVWXDN-FQEVSTJZSA-N 447.532 4.196 5 20 IIBD CC(C)(C)[S@](=O)Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 523837903 QEOLKTMMNYNIPJ-AREMUKBSSA-N 430.935 4.096 5 20 IIBD Cc1cccc2c(CC(=O)N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)c[nH]c12 524625862 JSMUKSCLZHIOFR-UHFFFAOYSA-N 446.429 4.295 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nnc(-c2ccc(Cl)s2)o1 525004389 CWEVRYGSEWZXFP-UHFFFAOYSA-N 440.890 4.489 5 20 IIBD O=C(c1cccc(I)c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 525104734 CWUYJHUNRMEYIQ-MRXNPFEDSA-N 440.262 4.087 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2cc(C(F)(F)F)ccn2)CC1 526014280 QVCXDGAVNXMLBO-UHFFFAOYSA-N 440.447 4.083 5 20 IIBD O=[N+]([O-])c1cc2c(c(CN3CCC[C@H](c4nc(C(F)(F)F)cs4)C3)c1)OCOC2 532743024 LBYAUCJUPAANKQ-NSHDSACASA-N 429.420 4.316 5 20 IIBD Cc1c(NC(=O)[C@@H](C)N2CCO[C@H](c3ccc(Br)cc3)C2)cccc1[N+](=O)[O-] 533247547 XWHQPQILKGEHSS-KUHUBIRLSA-N 448.317 4.066 5 20 IIBD CN1CC[C@H](CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)[C@@H]1c1ccc(Cl)c(F)c1 534970841 JKSGKYTYCCVPCM-IERDGZPVSA-N 446.910 4.148 5 20 IIBD Cc1ccc(C(=O)C2CCN(C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)CC2)c(C)c1 535004351 HMDKDUKBEOZSKF-UHFFFAOYSA-N 432.480 4.132 5 20 IIBD C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](C)[C@H](OC1CCOCC1)c1ccccc1 537953174 JIYHKTPOGGUWJR-GGUMNFRJSA-N 441.528 4.227 5 20 IIBD O=C(Nc1cncc2nncn12)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 539643878 LNLRWYJHKRSERD-UHFFFAOYSA-N 449.477 4.046 5 20 IIBD Cc1cc(C(=O)NCC(=O)N2CC=C(c3cccc4ccccc34)CC2)ccc1[N+](=O)[O-] 542056263 GOEXSSBABZFECQ-UHFFFAOYSA-N 429.476 4.102 5 20 IIBD COCC[C@H](Cc1cccc(Br)c1)c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 545551318 WZKLHOATPUJBEQ-CQSZACIVSA-N 447.289 4.352 5 20 IIBD O=C1CCCN1c1ccc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)cc1 545742144 ISTMIDOCBHXFKL-UHFFFAOYSA-N 443.257 4.125 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(Cc3cnn(-c4ccccc4)c3)n2)c(Br)c1 546445091 MIMSSQOZCKQHTE-UHFFFAOYSA-N 440.257 4.108 5 20 IIBD O=[N+]([O-])c1cccc(Br)c1OC[C@@H](O)COc1cccc(C(F)(F)F)c1 550175482 WREYUPZNPGMPAL-NSHDSACASA-N 436.180 4.195 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)c1 554965582 DHXRXYUSKGUGNJ-UHFFFAOYSA-N 445.475 4.378 5 20 IIBD Cc1ccc([C@@]2(C)CCN(c3nnc(-c4ccc([N+](=O)[O-])cc4)n3C[C@@H]3CCOC3)C2)cc1 559172039 AZXFCWZJFIHPBY-DFBJGRDBSA-N 447.539 4.366 5 20 IIBD CCOc1cc(CCCNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)ccc1OC 559918583 WSUPHSHXCMYHPE-UHFFFAOYSA-N 426.391 4.384 5 20 IIBD O=[N+]([O-])c1cc2c(c(CN3CC[C@H](Cc4ccc(Br)cc4)C3)c1)OCOC2 560568877 MTDQWJZMZMNAMM-OAHLLOKOSA-N 433.302 4.288 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(c2noc3cc(F)ccc23)CC1 562047722 ZELWZHARAXPBFC-UHFFFAOYSA-N 442.447 4.092 5 20 IIBD Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 571306332 KNRWMSHPSNNYGL-UHFFFAOYSA-N 432.223 4.994 5 20 IIBD O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCC(OC[C@H]2CCOC2)CC1 573055534 NJGQNLKEBUZWGE-KRWDZBQOSA-N 442.537 4.404 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(Cc3c[nH]c4cc(Cl)ccc34)no2)c1N1CCOCC1 583778364 OJADJKKEJXBQCM-UHFFFAOYSA-N 439.859 4.207 5 20 IIBD C[C@@H]1CCCN(c2nnc(SCC(=O)c3ccc([N+](=O)[O-])cc3)n2Cc2ccco2)C1 590710108 HSOANIXUILACRQ-OAHLLOKOSA-N 441.513 4.039 5 20 IIBD O=C(Nc1cccc(-c2nn[nH]n2)c1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 602248323 ZZQFLBSHKRDSAK-UHFFFAOYSA-N 436.815 4.473 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]1c1cccc(Br)c1 604043410 QTIIBDYDJNDCDW-MRXNPFEDSA-N 425.304 4.192 5 20 IIBD COc1ccc(CNC(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)cc1[N+](=O)[O-] 604083132 KGFRCMCXTNHPDE-UHFFFAOYSA-N 434.424 4.251 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(Sc3nc(C)cs3)cc2)cc1[N+](=O)[O-] 604117444 PPNXFZRYVCCXMY-UHFFFAOYSA-N 437.524 4.320 5 20 IIBD CSc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)n2)cc1 608932806 XFSLDNJTWJIRHW-UHFFFAOYSA-N 429.479 4.464 5 20 IIBD COc1ccc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1N1CCCCC1=O 609727702 UCUGGZBHHBQEIT-UHFFFAOYSA-N 447.875 4.181 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1 609881087 VINLAXHEROXCMZ-GOSISDBHSA-N 426.860 4.381 5 20 IIBD Cc1cc(N2CCCC2)ccc1NC(=O)COc1ccc([N+](=O)[O-])cc1Br 609962460 DFVSRMCUTODFTN-UHFFFAOYSA-N 434.290 4.283 5 20 IIBD CC(C)(C(=O)N[C@@H]1CCN(c2ccccc2Br)C1)c1ccc([N+](=O)[O-])cc1 610044915 HOOJDHZGCJVIBS-OAHLLOKOSA-N 432.318 4.030 5 20 IIBD COc1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc([N+](=O)[O-])c1OC 610195084 QCCWATXWQCUCRI-CYBMUJFWSA-N 427.482 4.242 5 20 IIBD COc1cc(CN[C@@H]2CCO[C@]3(CCSC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 610889990 IRZNPLDIGCEANR-AUSIDOKSSA-N 444.553 4.327 5 20 IIBD COc1cc(CNc2ccc3c(c2)NC(=O)CC3)c([N+](=O)[O-])cc1OCC(F)(F)F 610910973 RIRWIPHRYNPQNU-UHFFFAOYSA-N 425.363 4.041 5 20 IIBD O=C(NCCN1CCc2sccc2C1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611201773 BBUYEKCYHCFTME-UHFFFAOYSA-N 431.583 4.479 5 20 IIBD CN(Cc1ccc(OCC(=O)O)cc1)C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 617746295 RZJHSUQLJXMRJG-UHFFFAOYSA-N 444.509 4.365 5 20 IIBD CN1Cc2cc(-c3csc(NC(=O)c4cc5cccc([N+](=O)[O-])c5[nH]4)n3)ccc2NC1=O 619464525 YPPHXFRZOYABNH-UHFFFAOYSA-N 448.464 4.429 5 20 IIBD CCOc1ccc([C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)c2ccccc2)cc1 619476121 FYTSDEFOTVNLHH-OAQYLSRUSA-N 442.493 4.070 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCC(=O)N[C@H](c2ccc(C)cc2)C2CC2)cc1SC 728650693 KFGMAOGNYXOOSC-OAQYLSRUSA-N 444.509 4.058 5 20 IIBD CC1CCN(c2ccc(C(=O)O[C@H](C)C(=O)Nc3cccc(F)c3)cc2[N+](=O)[O-])CC1 728947802 DWDICOFCYJVPMY-OAHLLOKOSA-N 429.448 4.154 5 20 IIBD CC(C)n1c(S)nnc1CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 731440596 GOLPXHAXUZRQHB-UHFFFAOYSA-N 447.904 4.432 5 20 IIBD COc1ccc(N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1NC(=O)OC(C)(C)C 731496193 DZJQKHLPVLMGNV-KRWDZBQOSA-N 442.472 4.168 5 20 IIBD CC(C)(C)c1cc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])c(F)c2)n(-c2ccccc2)n1 731518675 LZUHGRRWCGNCLI-UHFFFAOYSA-N 440.431 4.013 5 20 IIBD CC(=O)c1c(C)cc(C)c(COC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c1C 733557630 OKSLJUFXNNCRHM-KRWDZBQOSA-N 444.509 4.132 5 20 IIBD C[C@@H](Oc1ccc(F)cc1Cl)C(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 733689303 VIFWMCOLUGKZMU-CYBMUJFWSA-N 437.855 4.009 5 20 IIBD O=C(OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1ccc(Oc2ccccc2)nc1 733698525 XBGWIEBCMIBPFW-SFHVURJKSA-N 447.447 4.244 5 20 IIBD CC(=O)N1CCC(COC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 734884107 ZILQPDYDFYWRRR-UHFFFAOYSA-N 445.903 4.276 5 20 IIBD CC(C)[C@H]1CCCCN1C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 735262288 BRMAKUGIFWOQST-HXUWFJFHSA-N 432.498 4.013 5 20 IIBD O=[N+]([O-])c1cccc(/C(O)=C(/C(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)[n+]2cccc(O)c2Cl)c1 735666801 OJMXCPPQQANTDP-HEHGZKQESA-O 446.936 4.231 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2csc(-c3ccccc3)n2)c(Br)c1 738404003 SZCYJOZJHFPUET-UHFFFAOYSA-N 441.284 4.249 5 20 IIBD Cc1ccc(-n2nc(C(C)C)cc2NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 739658253 AKSDHAMPWYSCGD-UHFFFAOYSA-N 449.511 4.301 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1)c1cnn(C)c1 741573567 CSDNTRCYFMFQOD-SFHVURJKSA-N 447.539 4.278 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 741934229 GPJYPYPIRFAYBJ-INIZCTEOSA-N 440.308 4.364 5 20 IIBD COc1ccc(C2=N/C(=C/c3cc(Cl)ccc3Br)C(=O)O2)cc1[N+](=O)[O-] 743280163 CUYKOJYLEYNYHI-NTUHNPAUSA-N 437.633 4.364 5 20 IIBD Cc1sc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)c(C(=O)OC(C)C)c1-c1ccccc1 743622747 YVVLTKJYUDFIDA-UHFFFAOYSA-N 442.497 4.341 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C(=O)N[C@H](C)c1ccc(Cl)cc1 744563165 YOFJSWMERYEDNO-CABCVRRESA-N 445.903 4.271 5 20 IIBD C[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1nc(Cc2ccccc2)no1 744636297 AJWKESPNABVOGY-KRWDZBQOSA-N 439.471 4.433 5 20 IIBD Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)O[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 745440163 XLXOMIPLAGDCKR-LBPRGKRZSA-N 446.822 4.065 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 746263948 QKXIIIXRMUDTMK-AEFFLSMTSA-N 437.265 4.225 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)c2ccc3c(c2)COC3)cc1 746572557 RDJCMARMYWHOQG-UHFFFAOYSA-N 449.415 4.466 5 20 IIBD C[C@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 747961014 CQBNMJRASZSNSB-PQKJENKHSA-N 443.525 4.205 5 20 IIBD COc1ccc(C(=O)[C@@H](C)OC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c(OC)c1 747961787 ISGWMLYAAHJJMP-GFCCVEGCSA-N 442.449 4.164 5 20 IIBD Cc1nc(-c2ccccc2)oc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 750947281 VGHASWXINBNNAK-UHFFFAOYSA-N 449.341 4.373 5 20 IIBD Cc1ccc(F)cc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F 751690348 IHEDMMYNLPWACF-VIFPVBQESA-N 443.200 4.128 5 20 IIBD C[C@H](OC(=O)c1c(F)ccc([N+](=O)[O-])c1F)C(=O)Nc1nc(-c2ccccc2)cs1 752568911 VKHLCJQYWPADRS-JTQLQIEISA-N 433.392 4.181 5 20 IIBD Cc1ccc(F)cc1NC(=O)[C@@H](C)OC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 753433060 OZQWASSFNLWFRJ-LLVKDONJSA-N 439.237 4.297 5 20 IIBD CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br 755470554 AQIFKKFIDSWHGI-MRXNPFEDSA-N 425.254 4.001 5 20 IIBD Cc1noc(C[C@@H](NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c2ccccc2)n1 760112979 KWPZPTCRCNVOJR-OAHLLOKOSA-N 446.261 4.154 5 20 IIBD CC[C@H](c1ccccc1)c1nnc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 760322370 XHLMYFKZSCKEIC-CYBMUJFWSA-N 438.918 4.442 5 20 IIBD Cc1cc(F)ccc1-c1noc(-c2cc([N+](=O)[O-])ccc2I)n1 761961329 HTOLMVZBHHNOPR-UHFFFAOYSA-N 425.157 4.364 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](O)c1ccc(C(C)(C)C)cc1 764278901 JCDXNAMBQIKXTJ-LJQANCHMSA-N 432.542 4.094 5 20 IIBD Cc1ccc(-c2cnc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])s2)c(C)c1 768881232 IHRFBRNMBGATBB-UHFFFAOYSA-N 434.455 4.044 5 20 IIBD CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 771378428 ARKTXGIPUGSEMX-ABKXIKBNSA-N 429.217 4.142 5 20 IIBD C[C@@H](C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1cn(C)c2ccccc12 772845086 ZJXSPGDWDJTKOY-GFCCVEGCSA-N 449.385 4.391 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1nc(-c3cccs3)n(-c3ccccc3)n1)CC2 773990082 BVOPYGGYSKIEKT-UHFFFAOYSA-N 431.477 4.415 5 20 IIBD Cc1cc(C(=O)OCc2ccc([N+](=O)[O-])c(F)c2)c2cnn(Cc3cccs3)c2n1 775740743 OAUMKRBIMJCDMK-UHFFFAOYSA-N 426.429 4.254 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(CNC(=O)OC(C)(C)C)cc2)c([N+](=O)[O-])cc1OC 777830696 UTMLGMOOBFAYDY-UHFFFAOYSA-N 445.472 4.279 5 20 IIBD O=C(Cc1csc(NC(=O)c2cccs2)n1)OCc1ccc([N+](=O)[O-])cc1Cl 778088834 XKENUUHHEIPQKR-UHFFFAOYSA-N 437.886 4.304 5 20 IIBD Cc1c(NC(=O)NCc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)cccc1[N+](=O)[O-] 780774076 RWLDIUIIAWPCPW-UHFFFAOYSA-N 426.473 4.476 5 20 IIBD C[C@@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(F)c(Br)c1 781632308 IAUWTUDQVZSFPK-SNVBAGLBSA-N 440.225 4.215 5 20 IIBD COc1ccc(-c2noc([C@@H](C)OC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 783204865 UIRLNIRXZLYASB-VXGBXAGGSA-N 447.831 4.379 5 20 IIBD CC(C)(C)n1cc(C(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)nn1 790233413 SMWFJTTVLYCNNP-UHFFFAOYSA-N 443.847 4.066 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 790566275 WWWCHWKIMOKQJO-HXUWFJFHSA-N 443.903 4.083 5 20 IIBD CC(C)[C@H](OC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1F 790744106 QYCXIFSGAUWQKD-SFHVURJKSA-N 426.803 4.275 5 20 IIBD CC(C)(C)OC(=O)Nc1ccccc1CC(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 792070548 OBBOIONKNJFFDC-UHFFFAOYSA-N 431.401 4.136 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)cc1[N+](=O)[O-] 792969375 OMGACWOIXODNDI-IBGZPJMESA-N 439.512 4.039 5 20 IIBD CC(=O)c1cc(S(=O)(=O)Oc2cc(C)c([N+](=O)[O-])cc2Cl)ccc1Br 796205100 LSFMJYFMIDAYBI-UHFFFAOYSA-N 448.678 4.289 5 20 IIBD CC1(C)C[C@@H](OC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c2ccccc2O1 799434204 BVTRLNLYCPDCLC-LJQANCHMSA-N 426.425 4.129 5 20 IIBD O=C(OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1ncccc1Oc1ccccc1 799609524 JDZAKVVTBKZCFM-QGZVFWFLSA-N 447.447 4.244 5 20 IIBD COC(=O)[C@H](OC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccccc1C(F)(F)F 800468547 MMLIMSGWEDVESP-GOSISDBHSA-N 436.342 4.026 5 20 IIBD Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)C(=O)Nc1c(F)ccc([N+](=O)[O-])c1C 800634100 WSBSIJXEMWNXGK-CQSZACIVSA-N 427.354 4.099 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 806367606 PFQFRVMENIJTIM-JFIYKMOQSA-N 446.301 4.394 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N(Cc2ccccc2)CC(F)F)c(Cl)cc1Cl 809824839 WCMJBFHXJXWENT-UHFFFAOYSA-N 425.240 4.358 5 20 IIBD O=C1N[C@@]2(CCCc3sccc32)C(=O)N1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 809946039 LQNPKOPDAXAKRI-QGZVFWFLSA-N 426.281 4.247 5 20 IIBD CC(C)c1ccc(C[C@@H](C)NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1 810379004 NAJMGHZOFNFSSE-CYBMUJFWSA-N 448.317 4.167 5 20 IIBD O=[N+]([O-])c1ccc(NC(=S)NCc2cccc(-c3nc(CC(F)(F)F)no3)c2)cc1 811700482 JJYGJOFOHGPVEJ-UHFFFAOYSA-N 437.403 4.236 5 20 IIBD Cc1ccc(C)c(SCc2nc(=O)c3c(C)c(C(=O)OC[C@H](C)[N+](=O)[O-])sc3[nH]2)c1 813108479 GHKXCMNCAWBHJP-LBPRGKRZSA-N 447.538 4.024 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl 917444048 KYWFEGQDOZJSGE-SNVBAGLBSA-N 449.337 4.196 5 20 IIBD COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 918096844 DTVXPOBUNPWWJH-QGZVFWFLSA-N 446.257 4.075 5 20 IIBD CCOc1c(Cl)cc(C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1OC 918814691 CGGUWPVABQKLKH-UHFFFAOYSA-N 433.804 4.063 5 20 IIBD O=C(c1ccccc1)N1CCC[C@H](Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 1168896294 RRMKUQRVJMWCQI-FQEVSTJZSA-N 432.480 4.286 5 20 IIBD CSc1ncc(-c2nnc(COc3ccccc3[N+](=O)[O-])o2)n1-c1ccc(F)cc1 1257768371 CYSVHLJNZQTWOW-UHFFFAOYSA-N 427.417 4.271 5 20 IIBD Cn1c(CSCCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 1344595265 QYTODJSBHLCWJS-UHFFFAOYSA-N 431.905 4.306 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@]4(C)CC4(F)F)CCC3)cc2)ncc1[N+](=O)[O-] 1788767243 FURVEKQWTYTCBZ-FQEVSTJZSA-N 444.438 4.091 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)NC1(c2ccc(NC(=O)c3ncccc3F)cc2)CCC1 1789908855 WSOJGWJWANVIAY-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD Cc1ccccc1NCC(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1 1790185366 RBQXQEVEUQRQLX-UHFFFAOYSA-N 447.495 4.091 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(O)c([N+](=O)[O-])c4)cc3)CCC2)ccn1 1790619961 NZMYUQKMCIKCGI-UHFFFAOYSA-N 446.463 4.065 5 20 IIBD O=C(C[C@@H]1C[C@@H]2CC[C@H]1C2)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1 1791323911 OIBDHKPFDCYEHY-IKGGRYGDSA-N 436.512 4.497 5 20 IIBD CCO/C=C/C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])cc2)CCC1 1792317451 RBXJRESXCWVEST-ZIQQYUHESA-N 435.480 4.292 5 20 IIBD CC(C)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)[nH]n1 1821927163 FBVWVKFEKGELOT-PYUISTEWSA-N 429.477 4.053 5 20 IIBD Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@]3(C)C[C@@H]3C)CC2)cc1[N+](=O)[O-] 1830364577 DALAYRCSOVEVPE-HCYUJWNOSA-N 441.572 4.112 5 20 IIBD C[C@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)cc1 1847409232 SUYKMHYIWPJNDZ-MRFFXTKBSA-N 445.878 4.006 5 20 IIBD COC(=O)C1=C(C)NC(C)=C(C(=O)OCC=Cc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 1857776926 XTFPDGZNWTZCMF-QHCPKHFHSA-N 448.475 4.259 5 20 IIBD CCOC(=O)Nc1ccc2c(COC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc(=O)oc2c1 10666299 YADRWQZQNDVTSF-UHFFFAOYSA-N 446.799 4.280 5 20 IIBD C[C@@H](Sc1nnc(NCCc2ccccc2)s1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 10775915 DDOZCDDFUFJELN-GFCCVEGCSA-N 447.517 4.359 5 20 IIBD O=C(Nc1ccc(NC(=O)c2ccco2)cc1)c1ccc(Br)c([N+](=O)[O-])c1 11209196 ROJDWZRPPBXKER-UHFFFAOYSA-N 430.214 4.455 5 20 IIBD CC(C)N(C(=O)COC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 11275666 LNYHDEGALVBNLG-UHFFFAOYSA-N 428.488 4.140 5 20 IIBD O=C(COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H](c1ccccc1)c1cccs1 18170424 LTAVWRNOLMCCHQ-IBGZPJMESA-N 430.869 4.372 5 20 IIBD O=C(COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccc(F)cc1)c1cccs1 18187405 MFRMAPAVQDCEKY-GLOIGSRVSA-N 440.452 4.258 5 20 IIBD COc1ccc([C@H]2CCCN2CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 25414060 JMNGCFBBPZGEMG-GOSISDBHSA-N 434.290 4.142 5 20 IIBD Cc1ccsc1CNC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 26177814 NELVANNZELLRGQ-UHFFFAOYSA-N 428.436 4.015 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCSc1nnc(Nc2ccccc2F)s1 26361736 NMJUTOQYWFGCDY-UHFFFAOYSA-N 449.489 4.459 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)COc2ccc(C=O)cc2)c2ccccc2)c([N+](=O)[O-])c1 28803583 VWOMCWUTBWTBHD-QHCPKHFHSA-N 448.431 4.018 5 20 IIBD COc1ccc([N+](=O)[O-])cc1OCC(=O)N1CCc2cc(-c3csc(C)n3)ccc21 30507564 VRZZBAFUMKMBOQ-UHFFFAOYSA-N 425.466 4.003 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 31969033 PRVRPVVVNWFAGF-JOCHJYFZSA-N 437.883 4.274 5 20 IIBD CCOC(=O)[C@@H]1CCCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 57570644 FNGMWVYMWCVTDX-UZLBHIALSA-N 445.903 4.203 5 20 IIBD Cc1nc2ccccc2c2c(NC(=O)Cc3ccc(-n4cnnn4)cc3)c3ccccc3n12 58733045 JQKDTTVRVLIDMD-UHFFFAOYSA-N 433.475 4.106 5 20 IIBD CC(=O)Nc1cc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)ccc1Cl 63335109 KAKZVHNMVSDNCN-UHFFFAOYSA-N 441.875 4.321 5 20 IIBD CCCN(C[C@@H]1COc2ccccc2O1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 64894910 HHVNSQBQSCYOAI-QGZVFWFLSA-N 439.493 4.411 5 20 IIBD CN1CC[C@H](CNc2cc3ncnc(O)c3cc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 301852690 BUDIUDLJHFACJP-BLVKFPJESA-N 431.855 4.141 5 20 IIBD C[C@H](CCc1ccc(Br)cc1)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O 302678396 VPMMSWPXZPMIFF-GFCCVEGCSA-N 427.320 4.194 5 20 IIBD CC(C)C[C@H]1COCCN1C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 303597116 NGNDFSWQTDZFBE-QHCPKHFHSA-N 448.523 4.264 5 20 IIBD CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 303831575 ZVRRWNIUNWMQGR-RDJZCZTQSA-N 447.333 4.034 5 20 IIBD O=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 409542987 FACKCBLNUMTGCT-UHFFFAOYSA-N 428.452 4.233 5 20 IIBD O=C(CCSCCOc1ccccc1Br)Nc1ccccc1[N+](=O)[O-] 409849899 VJRWSFZGTOBQPL-UHFFFAOYSA-N 425.304 4.498 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2cc3ccccc3s2)cc1OC 410300039 GDIDTDJGVBHBJE-CYBMUJFWSA-N 430.482 4.334 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1ccc(-c2ccco2)cc1F 427259481 ZWOYJLZGVAEYRX-UHFFFAOYSA-N 425.416 4.370 5 20 IIBD COC(=O)c1c(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])sc2c1CCCC2 429929440 GPSULPAHIOOQJK-UHFFFAOYSA-N 439.287 4.337 5 20 IIBD COc1cc(CN2CCN(C)C[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OCC(F)(F)F 434989422 ALLMUASBXRLIRU-SFHVURJKSA-N 439.434 4.033 5 20 IIBD CCOC[C@@H]1CCCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)C1 435472877 GYGZEPOQYOARLF-CQSZACIVSA-N 449.554 4.021 5 20 IIBD O=C(N[C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 436158399 YTFTXLZHOFLZBD-DEOSSOPVSA-N 426.472 4.334 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1(c2ccc(OC)c(F)c2)CCOCC1 436458837 IWJNTHMDORDKSW-QGZVFWFLSA-N 430.476 4.133 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F 436466311 PMHFKGCFEAFOMT-KRWDZBQOSA-N 448.756 4.121 5 20 IIBD Cc1cc(C)c(NC(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c(Br)c1 437035885 UHGSPUYHWMPHOM-UHFFFAOYSA-N 446.301 4.104 5 20 IIBD CSc1ccc(C(=O)NC2(c3noc([C@H]4CCOC4)n3)CCCCCC2)cc1[N+](=O)[O-] 439909441 KLQVSOFJAMOVGW-HNNXBMFYSA-N 446.529 4.183 5 20 IIBD CCc1nnc(-c2cccc(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])c2)o1 440596001 HJRHXXBMJMKKAQ-UHFFFAOYSA-N 436.346 4.401 5 20 IIBD Cc1csc(N2CCN(C(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])CC2)n1 442293906 PTXKHAPRJKYFFN-UHFFFAOYSA-N 440.550 4.473 5 20 IIBD CCCOc1ccc(CNC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1OC 444850180 PFSVMIBUSVOHLD-UHFFFAOYSA-N 429.292 4.146 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1cc(F)ccc1SCC(F)F 444896750 MWQQLLUPWRYWQX-UHFFFAOYSA-N 425.392 4.289 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N[C@@H](c1cccc(Cl)c1)c1ccccn1 445214133 LVAHAGRCFZSOJF-FQEVSTJZSA-N 436.859 4.108 5 20 IIBD O=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1sc(Br)cc1[N+](=O)[O-] 446092971 CTFXOCCRJTXDSE-UHFFFAOYSA-N 433.287 4.346 5 20 IIBD Cc1c(C(=O)Nc2ccc(OC3CCCC3)c(F)c2)nnn1-c1cccc([N+](=O)[O-])c1 460440195 WXONQVHEFFCNIL-UHFFFAOYSA-N 425.420 4.197 5 20 IIBD COc1ccc2sc(C(=O)NCCc3cc(OC)c(OC)cc3[N+](=O)[O-])c(C)c2c1 460789787 BHQRMBYGFYFJOJ-UHFFFAOYSA-N 430.482 4.116 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 461432362 UQSZVTKYBPCOEE-UXHICEINSA-N 448.548 4.312 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)NCc2cc(Br)cc3c2OCC3)cc1[N+](=O)[O-] 462200855 HNOIFERKMNXGDY-GFCCVEGCSA-N 434.290 4.161 5 20 IIBD COc1cc(CSc2nnc(Cc3ccc(OC)c(OC)c3)o2)c([N+](=O)[O-])cc1F 463434112 ZFJZAVHDWDLVDV-UHFFFAOYSA-N 435.433 4.026 5 20 IIBD CO[C@H](CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1cccc(Cl)c1 466346136 JBAGNDPYQXNTIZ-HXUWFJFHSA-N 433.892 4.189 5 20 IIBD Cc1cc(=O)c(C(=O)Nc2cc(Cl)c(Cl)cc2F)nn1-c1ccccc1[N+](=O)[O-] 466588355 OGWDSXTYTPKFQN-UHFFFAOYSA-N 437.214 4.147 5 20 IIBD COc1cc(CCNC(=O)c2cccc(N[C@H](C)C(C)C)c2C)c([N+](=O)[O-])cc1OC 474710594 SBLDPPZWDVEISB-MRXNPFEDSA-N 429.517 4.349 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N2CC=C(c3ccccc3C(F)(F)F)CC2)cc1 477102155 WFOCBDJRRVJNGF-UHFFFAOYSA-N 426.416 4.233 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CC=C(c2cccc(Cl)c2)CC1 477379404 OYOPIGPTHNKTRC-UHFFFAOYSA-N 441.871 4.252 5 20 IIBD CC(C)CCSc1ccc(C(=O)NCC(=O)N2Cc3ccccc3C2)cc1[N+](=O)[O-] 477555418 XKBHYQJOINRSPF-UHFFFAOYSA-N 427.526 4.005 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1 477827109 GMXUAVISFXIESK-KPZWWZAWSA-N 438.267 4.068 5 20 IIBD CC(=O)Nc1sc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)nc1-c1ccccc1 479364164 VUBGHZDJOBBNSC-UHFFFAOYSA-N 448.464 4.115 5 20 IIBD C[C@H](NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)c1ncon1 479535486 XTMGQLFOUGPRFG-JTQLQIEISA-N 427.467 4.230 5 20 IIBD C[C@H](C(=O)N(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O)c1ccc([N+](=O)[O-])cc1F 480424628 GCAXWQZPUBPOQF-WQHZUCTMSA-N 427.259 4.261 5 20 IIBD CCn1c(SCC(=O)N(C)[C@@H](C)c2ccccc2)nnc1-c1ccc([N+](=O)[O-])cc1 481345271 SMJFQUJAHLSLLX-HNNXBMFYSA-N 425.514 4.185 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)cc1[N+](=O)[O-] 482315212 KVQRCAMSDCRSRG-MRXNPFEDSA-N 434.489 4.394 5 20 IIBD Cn1[nH]c(-c2ccccc2)nc1=NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 484569626 ZRFAKNXETRVZAX-UHFFFAOYSA-N 431.477 4.216 5 20 IIBD COc1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1Br 486175092 ZUFSQIPSRFUCHV-UHFFFAOYSA-N 434.290 4.221 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCC(c3c(F)cccc3F)CC2)c(C)c([N+](=O)[O-])c1 486870068 VDOIRJIKYFTWAP-UHFFFAOYSA-N 433.411 4.380 5 20 IIBD Cc1cc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)ccc1[N+](=O)[O-] 488432044 OSQKADYVQKVOPR-MRXNPFEDSA-N 440.905 4.305 5 20 IIBD Cc1ccc(C)c([C@@H](C)N(C)S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 488825200 QCFGOYKASUNTMO-CYBMUJFWSA-N 427.320 4.356 5 20 IIBD Cc1cc(Br)c2c(c1)CN(C(=O)c1ccc([N+](=O)[O-])c3cccnc13)CC2 490049051 VKMBUNPPUWHZIV-UHFFFAOYSA-N 426.270 4.412 5 20 IIBD CCOc1ccc([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1OCC 490156994 KMQICQAJJLPFSI-LBPRGKRZSA-N 428.894 4.085 5 20 IIBD CCCN(Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C 490545105 NGDLYECEYPDOIE-JSNMRZPZSA-N 428.476 4.273 5 20 IIBD COc1cc(NC(=O)CCN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(OC)cc1Cl 490830979 XVADAJLUMQNCFH-UHFFFAOYSA-N 433.892 4.259 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3cc4c(cc3F)NC(=O)CC4)cc2[N+](=O)[O-])CC1 492632007 RDLDGMKWIXXZAQ-UHFFFAOYSA-N 426.448 4.107 5 20 IIBD COc1cc(CN[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F 493681295 AWMLRLKZQASHOI-APWZRJJASA-N 449.498 4.390 5 20 IIBD CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N[C@@H](C)c1cccc2ccccc12 497384692 HNLOTENNFRKBMK-KSSFIOAISA-N 441.509 4.070 5 20 IIBD COc1ccccc1C(=O)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])cc1 497555261 UTINLXLNLQJWSB-UHFFFAOYSA-N 442.449 4.052 5 20 IIBD CSc1ccc(C(=O)N[C@H](CC(=O)O)c2cccc(Br)c2)cc1[N+](=O)[O-] 497599599 HQGFGKZNFIQNSB-CYBMUJFWSA-N 439.287 4.025 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 498898269 IAWPQEKFXUZTBM-INIZCTEOSA-N 433.468 4.402 5 20 IIBD Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 500113496 VMCWEDOMFCWGEX-UHFFFAOYSA-N 430.873 4.074 5 20 IIBD COc1cccc(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1OC1CCCC1 500116865 WBBSZXLVVMZLJS-UHFFFAOYSA-N 440.905 4.057 5 20 IIBD C[C@](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)(c1ccccc1)C(F)(F)F 504584549 IEOFEGVEADOXHS-INIZCTEOSA-N 431.208 4.494 5 20 IIBD CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 504912440 WHELZUYDQALPTQ-NVXWUHKLSA-N 437.587 4.067 5 20 IIBD COc1ccc([C@H](NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C(F)(F)F)cc1 505395480 KMILHUKHYATYOZ-INIZCTEOSA-N 430.404 4.367 5 20 IIBD C[C@H](NC(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 505964695 DNMMSQODCPKYBS-KRWDZBQOSA-N 432.480 4.450 5 20 IIBD C[C@H](Nc1ccc(C(=O)N(C)CCOc2ccc(F)cc2)cc1[N+](=O)[O-])c1ccccn1 506074231 ZIXXGBNUDWBMSA-INIZCTEOSA-N 438.459 4.453 5 20 IIBD O=C(CSc1cccc([N+](=O)[O-])c1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 509082742 MUZZFNBHCKLFJI-UHFFFAOYSA-N 441.431 4.181 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2ccc(N3CCCC3=O)c(F)c2)cc1[N+](=O)[O-] 510008882 ADPCVDLWRVEGNY-UHFFFAOYSA-N 436.237 4.184 5 20 IIBD O=C(NC1CCCCC1)NC1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 511769685 HMMRJDYITQXXKG-UHFFFAOYSA-N 426.517 4.451 5 20 IIBD COc1cc(CN2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c([N+](=O)[O-])cc1OCC(F)F 511785957 LXDLWDYGMQPQCK-GUDVDZBRSA-N 448.466 4.252 5 20 IIBD O=C(CN[C@H](CCO)c1ccc(Cl)c(Cl)c1)Nc1ccc([N+](=O)[O-])cc1Cl 512168974 WQZGDRBZXCWQNN-OAHLLOKOSA-N 432.691 4.207 5 20 IIBD C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 514227545 REVSAXOWGMGFQL-PIGZYNQJSA-N 426.803 4.452 5 20 IIBD NC(=O)C[C@@H](NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 515437628 KDTYIZONLHTQOI-HSZRJFAPSA-N 441.491 4.154 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2ccccc2OC(F)(F)F)c1 518189335 ZVEOYBLAZVWRRH-UHFFFAOYSA-N 441.181 4.057 5 20 IIBD CC(C)C[C@@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N[C@@H](C)c1ccccc1 521380259 RSMBWMIHIVPTOG-ICSRJNTNSA-N 435.528 4.276 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccc(NC(=O)c2ccco2)cc1 522640103 TXAFCTLYRRBPOB-UHFFFAOYSA-N 443.843 4.179 5 20 IIBD Cn1c([C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)c2ccccc2)nc2ccccc21 523615736 HSJMCBAWIAIZDR-QFIPXVFZSA-N 429.480 4.113 5 20 IIBD CC(=O)N1CC[C@H](NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c2ccccc21 534573001 VWRHIQZVQSZCRP-FQEVSTJZSA-N 436.512 4.059 5 20 IIBD O=C(c1cc(=O)c2cc(Br)ccc2[nH]1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 535731578 ITXZTJOYEVMDIR-UHFFFAOYSA-N 442.269 4.004 5 20 IIBD COc1ccc(-c2nnc(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)s2)cc1 536495375 ANFILQIMDUYQQQ-UHFFFAOYSA-N 439.478 4.498 5 20 IIBD CO[C@H](c1ccc(F)cc1)[C@@H](C)Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl 536618526 DVUKTVITGDJDMD-BLVKFPJESA-N 432.839 4.121 5 20 IIBD CCc1nc2ccccc2n1C1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 536804441 BRUVSXPCNBXEDZ-UHFFFAOYSA-N 431.496 4.325 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N(Cc1ccccc1C(F)(F)F)C1CC1 537362467 JKSANSVEHYZLJL-UHFFFAOYSA-N 449.429 4.255 5 20 IIBD COc1cc([C@@H](C)N[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc(OC)c1OC 540324421 QXEWGGAIOZDVIR-OLZOCXBDSA-N 428.445 4.082 5 20 IIBD C[C@@H](C(=O)Nc1cccc(NC(=O)NCc2ccncc2)c1)c1ccc([N+](=O)[O-])cc1F 542594305 BPNFWGCKIMBYON-CQSZACIVSA-N 437.431 4.193 5 20 IIBD CC(C)n1cc([C@@H](C)N[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cn1 543503920 SALLENJKUMREAW-ZIAGYGMSSA-N 428.518 4.174 5 20 IIBD Cc1ccc(-c2noc([C@@H]3CCN(c4ccccc4Br)C3=O)n2)cc1[N+](=O)[O-] 544960312 AHNHXZUPZCNTTJ-ZDUSSCGKSA-N 443.257 4.236 5 20 IIBD CC(=O)Nc1cc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)ccc1F 545762937 MVJBUSAXLICWIE-UHFFFAOYSA-N 435.209 4.096 5 20 IIBD Cn1c(SCc2ccc(OCc3cccnc3)cc2)nc2cc([N+](=O)[O-])ccc2c1=O 547226179 KGLGWIOVZHAURQ-UHFFFAOYSA-N 434.477 4.108 5 20 IIBD CN(Cc1ccc2c(c1)OCCO2)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 548362730 AFFTXYSNBZALNN-UHFFFAOYSA-N 436.414 4.003 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)cc1[N+](=O)[O-] 553620638 UWVZELOLJXNMJW-DZGCQCFKSA-N 439.438 4.306 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@H](C)[C@H]3OCCc4sccc43)cc2[N+](=O)[O-])CC1 554208956 QVXVMKNSPLWQLG-QVKFZJNVSA-N 429.542 4.325 5 20 IIBD Cc1ccc(Cl)c2sc(NC(=O)CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])nc12 557818676 YZBYBNXYBDSWNP-UHFFFAOYSA-N 439.280 4.188 5 20 IIBD O=C(Nc1nnc(SCc2c(Cl)cccc2Cl)s1)c1c[nH]nc1[N+](=O)[O-] 558737228 YGOHMUFEIYPBGI-UHFFFAOYSA-N 431.286 4.021 5 20 IIBD O=C(NC1CCN(Cc2ccc(F)c(F)c2)CC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 559134413 RCGCZAGRPIOZPO-UHFFFAOYSA-N 443.372 4.286 5 20 IIBD COc1cccc(OC)c1OC[C@@H](O)COc1ccc([N+](=O)[O-])cc1-c1cccs1 559284010 YEOLPRFFMKXNJP-HNNXBMFYSA-N 431.466 4.159 5 20 IIBD Cc1c(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cnn1-c1ccc(F)cc1F 562344728 PPEYTNRRMTUIQS-UHFFFAOYSA-N 440.328 4.316 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1Sc1nnc(CN2CCCC2)n1-c1ccc(Cl)cc1 564040606 IFBSILBYMOHZIN-UHFFFAOYSA-N 447.952 4.101 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(Oc3cccnc3)cc2)c([N+](=O)[O-])c1 567080376 KHGYRCBBASHXCA-JKSUJKDBSA-N 436.468 4.469 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCC2CCN(CC(F)F)CC2)cc1 573763507 KOFCSHZWKWNXAN-UHFFFAOYSA-N 449.454 4.103 5 20 IIBD CC(C)(CO)[C@H](NCc1cc(I)cc([N+](=O)[O-])c1)c1cccs1 573765650 IODLQKQVVMEQNN-OAHLLOKOSA-N 446.310 4.110 5 20 IIBD CC[C@@H](c1cccc(OC)c1)N(C)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 576096474 JINIDGMOWZAPME-RBBKRZOGSA-N 439.512 4.126 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)cc1[N+](=O)[O-] 578918086 FCQKSLTXPKDFME-DYESRHJHSA-N 439.512 4.115 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CN[C@@H]2CCCOc3c(F)cccc32)c1 580487221 MZGHHWNUYXGXSH-MRXNPFEDSA-N 442.228 4.342 5 20 IIBD CC(=O)N1CCN(c2ccc(-c3nc(-c4ccc5ccccc5c4)no3)cc2[N+](=O)[O-])CC1 582088977 JYTSFSMNYKPXBH-UHFFFAOYSA-N 443.463 4.134 5 20 IIBD C[C@@H]1C[C@@H](CCN[C@H](c2ccc([N+](=O)[O-])cc2)c2nccn2C)CN1Cc1ccccc1 584069024 HEZJZFUKEJOGSU-ZILOHOTNSA-N 433.556 4.308 5 20 IIBD CNC(=O)CC[C@@H]1CCCCN1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 588057041 FWFVLCMWELVDSI-KRWDZBQOSA-N 427.526 4.267 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)c([N+](=O)[O-])c1 588216024 LSDNCQQQPPZPCN-AWEZNQCLSA-N 440.475 4.430 5 20 IIBD COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)NCc1cccc([N+](=O)[O-])c1)CC2 604475212 PRGJNDRHBGCPBO-XMMPIXPASA-N 447.491 4.469 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)ccc1[N+](=O)[O-] 608802070 BYERVUQCYUBUFO-QFIPXVFZSA-N 437.540 4.464 5 20 IIBD COc1cc(C(=O)Nc2cccc3c2ccn3C)c([N+](=O)[O-])cc1OCc1cscn1 608882901 XIRULXIWPKZDRK-UHFFFAOYSA-N 438.465 4.383 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1cccc(NC(=O)NCc2ccncc2)c1 609027706 DSTGHIZWRXBSFT-UHFFFAOYSA-N 448.483 4.142 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(Br)cc2C)cc1SC 609505760 JNLMFZUCDCZNDU-UHFFFAOYSA-N 425.304 4.326 5 20 IIBD C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 609509371 TYYRJRZCGNZHPN-XOBRGWDASA-N 426.860 4.036 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)Cc2ccc(C(F)(F)F)cc2)cc1OC 609510406 JWLLGXSGDYXXAE-LBPRGKRZSA-N 426.391 4.382 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 609530117 SEMKNLTUSAIXAK-UHFFFAOYSA-N 425.416 4.006 5 20 IIBD CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 609702148 JLEBDMYICDMISB-UYAOXDASSA-N 438.528 4.020 5 20 IIBD C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 609925316 LYUUMMUPAYCPDI-JTQLQIEISA-N 427.360 4.199 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 610032933 WXPKIOWJWJPRRX-UHFFFAOYSA-N 432.889 4.249 5 20 IIBD C[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Br)CCN1Cc1ccccc1 610046017 PCYZNQRRESVHPT-RDJZCZTQSA-N 446.345 4.482 5 20 IIBD COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1 610220440 KWPQMVWRPKSTEC-UHFFFAOYSA-N 435.436 4.046 5 20 IIBD CN(C(=O)c1cc(=NCc2ccccc2)cc[nH]1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 611475340 SRMRTZFKTJUNJC-UHFFFAOYSA-N 445.504 4.424 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(-c3cnc(-c4ccc(C(F)(F)F)cc4)s3)n2)n1C 618426357 YZYJSBVEJMHXAZ-UHFFFAOYSA-N 436.375 4.496 5 20 IIBD O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCCN(C[C@@H]2CCCO2)CC1 619669052 MHNRZKFPCYNTST-SFHVURJKSA-N 441.553 4.073 5 20 IIBD CS(=O)(=O)c1cc(C(=O)OC(Cc2ccccc2)Cc2ccccc2)cc([N+](=O)[O-])c1 726344942 ASJJEJYNDUBMLR-UHFFFAOYSA-N 439.489 4.009 5 20 IIBD O=C(COC(=O)[C@H](OC1CCCC1)c1ccccc1)Nc1cc(Cl)ccc1[N+](=O)[O-] 727018696 XTKICEAMKDXPOX-HXUWFJFHSA-N 432.860 4.430 5 20 IIBD Cc1cc(C)c2c(c1)N(S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)CCC2 727360854 DOGSIJGAJYOFKA-UHFFFAOYSA-N 425.304 4.116 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NC3CCN(C[C@H]4CCCO4)CC3)c([N+](=O)[O-])c2)cc1 727430943 HDIKFGWNIVLQJW-OAQYLSRUSA-N 438.528 4.211 5 20 IIBD O=C(Nc1nnc(Cc2ccc(F)cc2)s1)c1cc([N+](=O)[O-])ccc1N1CCCC1 730235365 UKHJHHUHGSJZEX-UHFFFAOYSA-N 427.461 4.029 5 20 IIBD O=C(c1ccc(I)c([N+](=O)[O-])c1)N(CC1CC1)C1CCCCC1 730494704 UUFGSGPCPGFNHF-UHFFFAOYSA-N 428.270 4.384 5 20 IIBD O=C(COC(=O)CCc1nc2cc(Cl)ccc2s1)Nc1ccc(F)c([N+](=O)[O-])c1 730607904 CRHPLYOGOJUONO-UHFFFAOYSA-N 437.836 4.112 5 20 IIBD O=C(NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 730690758 CVUSEYODXOCCHQ-MNOVXSKESA-N 449.699 4.164 5 20 IIBD Cc1c(-c2ccccc2)oc2c(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)cccc2c1=O 731586867 NRWWCOHSMXZLQJ-UHFFFAOYSA-N 444.443 4.485 5 20 IIBD CCN(CC)C(=O)C1=C(C)N(CCc2cccs2)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 731836487 HXPSJPBAQMWGHL-HXUWFJFHSA-N 442.541 4.108 5 20 IIBD COc1ccc2cc(COC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)ccc2c1 731966974 VOZWUDCHOBPPAC-SFHVURJKSA-N 440.477 4.166 5 20 IIBD C[C@H]1COCCN1c1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 737725457 VYLKKQSQTPMVPH-ZDUSSCGKSA-N 439.390 4.013 5 20 IIBD Cc1ccc(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1NC(=O)Nc1ccccc1 741185542 WULAJUVVRUXQLL-UHFFFAOYSA-N 448.435 4.343 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Oc2ccc(N(C)C(=O)OC(C)(C)C)cc2)cc1C 742331545 HGKXJFPWTBAZKJ-UHFFFAOYSA-N 436.486 4.351 5 20 IIBD CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 742948829 HQNUNKPSVKXJFY-OAQYLSRUSA-N 436.556 4.179 5 20 IIBD COc1c(Br)cc(Cl)cc1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 745844071 WXMPFYOUHWKQSM-UHFFFAOYSA-N 433.617 4.176 5 20 IIBD O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])C1CCN(C(=O)/C=C\c2ccccc2)CC1 746061010 ZVXHCDQVDOEQLN-TWGQIWQCSA-N 428.872 4.243 5 20 IIBD O=C(Nc1ccccc1)c1cccc(OS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 746703145 YMIMHPUGCZKTDS-UHFFFAOYSA-N 432.841 4.268 5 20 IIBD O=C1CCCN1CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c2ccccc21 746861235 FNUVCOQMFHTHHT-CQSZACIVSA-N 447.413 4.370 5 20 IIBD CC[C@@H](OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)c1ccc(NC(C)=O)cc1 747122779 AZPVLBPKTCQMLM-QGZVFWFLSA-N 438.358 4.390 5 20 IIBD O=C(OCCOC(c1ccccc1)c1ccccc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 747682991 SBSMHKFJNZJEHH-UHFFFAOYSA-N 444.447 4.139 5 20 IIBD Cc1c(C(=O)Nc2cccc(-c3cn4cccnc4n3)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748624491 SLZGFEQPBDQTAZ-UHFFFAOYSA-N 432.396 4.082 5 20 IIBD Cc1c(C(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748948482 CBZLFJOTKSCTRC-QWHCGFSZSA-N 449.847 4.196 5 20 IIBD CC[C@H](Oc1cccc(C)c1)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 750404114 FAUSWQZTWOKRHH-KRWDZBQOSA-N 440.374 4.261 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCCCC[C@H]1C[C@@H](O)c1ccccc1 752114840 OCVUXYPUIZVZDQ-WMZHIEFXSA-N 434.496 4.289 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)Cc1cc2c(ccc3ccccc32)o1 753445522 ZXRCLCWMAFZUPP-UHFFFAOYSA-N 434.404 4.227 5 20 IIBD C[C@@H](C(=O)Oc1ccc(-c2noc([C@H]3CCCO3)n2)cc1)c1ccc([N+](=O)[O-])cc1F 754239750 ZZDGGIUTFLIMEA-KZULUSFZSA-N 427.388 4.345 5 20 IIBD Cc1c(C(=O)N2CCCc3c2cccc3[N+](=O)[O-])c(=O)oc2ccc(Br)cc12 754410764 XBTBKBGJDJPHIV-UHFFFAOYSA-N 443.253 4.365 5 20 IIBD COCCOc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c(C)c1 754990191 QGQSIZYJFXMGCB-UHFFFAOYSA-N 427.226 4.082 5 20 IIBD CCc1ccccc1NC(=O)CN(C)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 755023983 CSDHFDZFKDPIGJ-UHFFFAOYSA-N 435.278 4.022 5 20 IIBD C[C@@H](NC(=O)COC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc2ccccc2c1 758736083 MUGDMPXXFMYFEM-OAHLLOKOSA-N 431.448 4.192 5 20 IIBD CN(C(=O)c1cccc([N+](=O)[O-])c1Br)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 759140487 FHJGVPWASDOJFE-RHSMWYFYSA-N 437.265 4.489 5 20 IIBD Cc1cc(NC(=O)c2ccco2)sc1C(=O)O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 759940908 OORRXLIARICWLC-ZIAGYGMSSA-N 444.469 4.347 5 20 IIBD CC(C)Oc1ccc(NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)c(F)c1 760341607 DANBLOUTTUWNOP-UHFFFAOYSA-N 433.255 4.084 5 20 IIBD Cc1nn(Cc2ccc(C(=O)O[C@H](C)C(=O)c3ccc(F)cc3F)cc2)c(C)c1[N+](=O)[O-] 760448926 PGUVRCKSXMDHJH-CQSZACIVSA-N 443.406 4.163 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(Cc3ccccc3Br)no2)ccc1-n1ccnc1 761565117 XVZYRZMQINHGSV-UHFFFAOYSA-N 426.230 4.184 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H](O)c1c(Cl)cccc1Cl 762515477 HMEICLNQRQMHQA-AWEZNQCLSA-N 433.675 4.174 5 20 IIBD O=C(OCc1nc(-c2ccc(Br)s2)no1)c1c[nH]c2cccc([N+](=O)[O-])c12 762903843 GNUJRDYDTYSTIF-UHFFFAOYSA-N 449.242 4.307 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 763720059 NRQILZLZDPMGPX-AWEZNQCLSA-N 442.859 4.235 5 20 IIBD Cc1nn(CC(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])cc1-c1ccccc1 766871850 IUVJHDVZFAJVRH-XMMPIXPASA-N 428.448 4.495 5 20 IIBD COc1c([N+](=O)[O-])cc(NCc2ccc3c(n2)CCCC3)c([N+](=O)[O-])c1Br 767411920 VMCNTTRHUPZTDA-UHFFFAOYSA-N 437.250 4.160 5 20 IIBD Cc1cc(S(=O)(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)cc([N+](=O)[O-])c1F 768273564 KKOPYBAGSATYAV-ZDUSSCGKSA-N 444.868 4.054 5 20 IIBD C[C@@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 768812429 KRDGQAWKIRFHNC-GFCCVEGCSA-N 449.485 4.087 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@H]1c2ccccc2CC[C@H]1n1ccnc1 769144265 KOWHKZXPHICUNQ-UXHICEINSA-N 425.876 4.173 5 20 IIBD CN(Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@@H]1CCN(CC(F)(F)F)C1=O 769424110 RFQGJQNFLWSWMU-MRXNPFEDSA-N 441.381 4.121 5 20 IIBD Cc1c(NC(=O)CCN2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)cccc1[N+](=O)[O-] 769945307 FUGDMVKNDBKAPH-UHFFFAOYSA-N 448.564 4.201 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 771089553 DXLQHQLDYSJXQF-UHFFFAOYSA-N 435.933 4.467 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCC(C(=O)C(F)(F)F)CC1 775439942 NKTVWAOVFRQXNN-UHFFFAOYSA-N 435.402 4.191 5 20 IIBD CCn1c(S)nnc1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1 775536375 AEJFDNQRTALKKJ-ZDUSSCGKSA-N 435.575 4.015 5 20 IIBD COC(=O)c1cn(CC(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])c2ccccc12 776134034 KWKBACSQXFPENC-QHCPKHFHSA-N 445.431 4.064 5 20 IIBD Cc1cc(C(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)nn1C1CCCCC1 776514989 CNWZBOICTTZEMC-UHFFFAOYSA-N 427.505 4.073 5 20 IIBD CSc1cccc(C(=O)OCC(=O)Nc2ccc(N3CCCC3)cc2C)c1[N+](=O)[O-] 777077136 CQRNPYJOMCYFNQ-UHFFFAOYSA-N 429.498 4.021 5 20 IIBD CSc1cccc(C(=O)O[C@@H]2CCCN(C(=O)c3ccccc3Cl)C2)c1[N+](=O)[O-] 777308722 DHDCSEVXHSRICU-CYBMUJFWSA-N 434.901 4.432 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 781359648 RWNLXRZKYLUXMN-CQSZACIVSA-N 431.411 4.133 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 781936787 GKFCVMWBABWHKV-HSZRJFAPSA-N 445.435 4.218 5 20 IIBD COc1cc(Br)ccc1CCC(=O)NCc1cc([N+](=O)[O-])ccc1Cl 782338520 XJEOGOKFXJRYGY-UHFFFAOYSA-N 427.682 4.268 5 20 IIBD CCOCN(C(=O)COC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1c(C)cccc1CC 783550614 ATAQJWLWUBPUHV-UHFFFAOYSA-N 434.876 4.303 5 20 IIBD COc1cc(C(=O)OCc2ccc(N(C)C)c([N+](=O)[O-])c2)ccc1OCc1cscn1 784493663 HXGSZEHBXRHKOS-UHFFFAOYSA-N 443.481 4.062 5 20 IIBD CCC1(C(=O)OCc2ccc(N(C)C)c([N+](=O)[O-])c2)CCN(C(=O)c2ccccc2)CC1 784503527 CQZGLDKEIXCJCR-UHFFFAOYSA-N 439.512 4.037 5 20 IIBD O=C(OCCn1cc([N+](=O)[O-])ccc1=O)[C@H](Sc1cc(F)ccc1F)c1ccccc1 785878889 NGSQQJWZUCKECG-HXUWFJFHSA-N 446.431 4.112 5 20 IIBD CC[C@H](c1ccncc1)N(CC)S(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1C 790025299 CHQHIEBWFLBXNF-OAHLLOKOSA-N 442.335 4.223 5 20 IIBD CC(C)C(=O)Nc1ccc(C(=O)COc2cc(F)c(Br)cc2[N+](=O)[O-])cc1 790296277 RGEOLDZVLUCXOJ-UHFFFAOYSA-N 439.237 4.353 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(Oc3ccncc3)cc2)c(C)c1[N+](=O)[O-] 790388387 HNAITPAZTKULGH-UHFFFAOYSA-N 444.425 4.108 5 20 IIBD COc1cc(C(=O)Nc2cccc(OCCNC(=O)OC(C)(C)C)c2)cc([N+](=O)[O-])c1C 790582683 WXJPRJMHUNWPSH-UHFFFAOYSA-N 445.472 4.068 5 20 IIBD Cc1nn(-c2ccccc2)cc1C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791174262 KOXPCNXFIYXDHX-UHFFFAOYSA-N 441.285 4.050 5 20 IIBD COc1ccc(NC(=O)[C@H](OC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 791404019 BNKNXTHAPSZCFE-AUUYWEPGSA-N 432.498 4.291 5 20 IIBD O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 791444325 WDHNHQXZHJZSIU-FQEVSTJZSA-N 449.419 4.108 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N(Cc2cccs2)C[C@H]2CCCO2)cc1[N+](=O)[O-] 792957712 ZIEOTWREIJTAAK-MRXNPFEDSA-N 445.541 4.100 5 20 IIBD COC(=O)c1nc([C@H]2CCCN2Cc2c(Br)cccc2[N+](=O)[O-])sc1C 793233303 AENANPLPKBXXKA-CQSZACIVSA-N 440.319 4.246 5 20 IIBD CC(C)COc1cccc(COC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c1 793405524 OYUXMHDPSAXJEJ-QGZVFWFLSA-N 432.498 4.039 5 20 IIBD Cc1nn(-c2ccccn2)c(Cl)c1/C=C1/N=C(c2ccc(Cl)c([N+](=O)[O-])c2)OC1=O 794687760 GWDFLIXRJHDQTO-NTEUORMPSA-N 444.234 4.135 5 20 IIBD O=C(Oc1ccc2oc(=O)oc2c1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 799419496 WHFIFGZIWYJUOP-UHFFFAOYSA-N 436.163 4.006 5 20 IIBD C[C@H](OC(=O)[C@H](C)Sc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 799842329 BQRYXFNHOKXLMH-QWRGUYRKSA-N 426.853 4.438 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)C(=O)Nc1c(F)ccc([N+](=O)[O-])c1C 800601508 RPOIIBPTTRWNRO-GFCCVEGCSA-N 442.472 4.290 5 20 IIBD Cc1ccc(-c2csc(NC(=O)c3c(C)nn(C)c3Br)n2)cc1[N+](=O)[O-] 800820413 IXPWJIFKACWOLL-UHFFFAOYSA-N 436.291 4.083 5 20 IIBD COC(=O)Nc1cccc(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 804606558 TZCJXHCFQWPFJF-UHFFFAOYSA-N 434.452 4.315 5 20 IIBD CSc1nc2ncnc(N3CCc4c(Br)ccc([N+](=O)[O-])c4C3)c2s1 804702677 DIOMGVBEAMNZIU-UHFFFAOYSA-N 438.332 4.042 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2C[C@H]3CCCN3c3ccccc32)c(Cl)cc1Cl 809808398 ROQWXACRVDMDMS-LLVKDONJSA-N 428.297 4.079 5 20 IIBD O=C(CCCc1ccccc1)N[C@@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 809914841 GYLNSUSTZBRTEC-QGZVFWFLSA-N 444.919 4.384 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCO1 809953270 KOOKDLNTVIEOEI-NHYWBVRUSA-N 434.320 4.016 5 20 IIBD Cc1ccc([C@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@@H](C)S(C)(=O)=O)cc1 809998656 GEYLGIIPKKENNM-SJKOYZFVSA-N 431.341 4.474 5 20 IIBD Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 810000353 XKAKQRVOKNBWKO-UHFFFAOYSA-N 425.194 4.084 5 20 IIBD C[C@@H]1CCC[C@@H](C)N1NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 864847718 BJEJEVRYYJEROO-ZIAGYGMSSA-N 428.455 4.124 5 20 IIBD Cc1cc(C(=O)NCc2nc(-c3ccc(Oc4ccc(F)cc4)nc3)no2)ccc1[N+](=O)[O-] 904509025 SAQJIZISYFPFFI-UHFFFAOYSA-N 449.398 4.210 5 20 IIBD CC(C)c1noc2nc(C3CC3)cc(C(=O)O[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])c12 915578205 NWJBYCFTCFXJHZ-GFCCVEGCSA-N 438.440 4.316 5 20 IIBD C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 916535840 MUKFQJVUOHCVOH-AWEZNQCLSA-N 425.441 4.453 5 20 IIBD CCCOc1cc(NC(=O)c2cc(C)nc3cc(C)nn23)c([N+](=O)[O-])cc1OCCC 917627139 AOAMHEBJEGOSKF-UHFFFAOYSA-N 427.461 4.084 5 20 IIBD CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 918376582 VUAULEWQKZHTPB-UHFFFAOYSA-N 440.500 4.421 5 20 IIBD O=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 918641114 IGXVTNYIWIGFNT-UHFFFAOYSA-N 428.452 4.157 5 20 IIBD O=C(Cc1ccccc1[N+](=O)[O-])OCC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 918843022 ZEERXQVNTCISBM-QGZVFWFLSA-N 437.279 4.351 5 20 IIBD CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)OC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 919212805 YOPNGSHTTQXTJR-LBPRGKRZSA-N 436.376 4.474 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 920593509 RICKBIDMDDEZSO-CQSZACIVSA-N 439.251 4.007 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(-n2cnc3ccccc32)nc1 920816881 ULMKCZRPUCSZOK-ZDUSSCGKSA-N 437.843 4.388 5 20 IIBD C[C@H](OC(=O)c1csc(Cc2ccc(Cl)cc2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 1115846059 WZGVSBSFQXAHNS-LBPRGKRZSA-N 445.884 4.480 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(F)c(NC(=O)OC(C)(C)C)c2)cc1C 1116047818 WWVAHPGMXVGAEB-UHFFFAOYSA-N 439.465 4.499 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(-c3ccccc3NS(=O)(=O)c3cccs3)o2)cc1 1117208801 LBGZRUTWPXFUHP-UHFFFAOYSA-N 428.451 4.174 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCN(C(=O)CC(C)C)CC3)cc2[N+](=O)[O-])cc1 1317911881 SSHNHLDNSALRBN-UHFFFAOYSA-N 441.553 4.385 5 20 IIBD O=C(COC(=O)c1nc(-c2ccc(F)cc2)n2c1CCCCC2)c1ccc([N+](=O)[O-])cc1 1318595039 HPTLOMFVNLXTJU-UHFFFAOYSA-N 437.427 4.364 5 20 IIBD COc1ccc(-c2cc(NS(=O)(=O)c3c(F)cccc3[N+](=O)[O-])ccc2OC)cc1 1320673306 MQDGJXMYCFEHKA-UHFFFAOYSA-N 432.429 4.219 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc2c(OC(F)(F)F)cccc2[nH]1 1323994100 JAUJHMNFEOKQSM-UHFFFAOYSA-N 437.330 4.079 5 20 IIBD O=[N+]([O-])c1ccc(Cc2nnc(-c3cnn(-c4ccccc4)c3)o2)c(Br)c1 1326083569 FIHGCBDMHVWDPM-UHFFFAOYSA-N 426.230 4.184 5 20 IIBD O=C(NCc1ccc(-c2nnc(COc3ccccc3[N+](=O)[O-])o2)cc1)c1cccs1 1326138209 VDWAHBHIPAPFCJ-UHFFFAOYSA-N 436.449 4.215 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccc(-c3nnc(-c4ccccc4F)o3)cc2)c1 1345593907 BGUCCRVPXDFHIF-UHFFFAOYSA-N 441.396 4.219 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc(F)cc3F)CCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 1790187368 ZOQCVIXLDMCYNR-UHFFFAOYSA-N 440.406 4.263 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccs2)[nH]n1)c1cc(F)cc([N+](=O)[O-])c1 1821164237 PJLQDINTOMWNJD-MRXNPFEDSA-N 443.460 4.138 5 20 IIBD O=C(C1=CCCC1)N1CCC([C@H]2CCCCN2C(=O)Cc2cc([N+](=O)[O-])ccc2F)CC1 1824947027 SWSFANKHUVNACE-JOCHJYFZSA-N 443.519 4.006 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC([C@@H]2CCCCN2C(=O)C2CCCC2)CC1 1826256241 UAOMAFDXCDBQFL-NRFANRHFSA-N 431.508 4.157 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)CC2CC2)CC1 1826605644 SMDMENQMAWLGAR-HXUWFJFHSA-N 431.508 4.076 5 20 IIBD CC(C)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830498103 SLUSCYZZDVJPDW-NRFANRHFSA-N 433.524 4.403 5 20 IIBD O=C([C@@H]1C[C@@H]1C1CC1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830617219 UKAAIPBWZFEWSI-SBHAEUEKSA-N 443.519 4.013 5 20 IIBD O=C(CSc1nnc(NCCc2ccccc2)s1)Nc1cc(Cl)ccc1[N+](=O)[O-] 10773417 KRHAJUNEPWOCJC-UHFFFAOYSA-N 449.945 4.485 5 20 IIBD CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 10901003 BWUHPSAICRITJE-UHFFFAOYSA-N 446.507 4.447 5 20 IIBD COCCN(C(=O)COc1ccccc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 14790587 SYCWEPWDJWUUDQ-UHFFFAOYSA-N 427.482 4.085 5 20 IIBD COc1cc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(OC)c1OC 15603491 OVOPXGHYUNWCTK-UHFFFAOYSA-N 443.378 4.080 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2ccc(N3CCCCCC3)cc2)c1 16197065 DWWUFKYVCGOFGA-UHFFFAOYSA-N 443.525 4.493 5 20 IIBD Cc1cccc(-c2nc(CC(=O)OCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])cs2)c1 17229557 YIEVTRDZVFMFOR-UHFFFAOYSA-N 445.884 4.405 5 20 IIBD O=C(COC(=O)Cc1csc(-c2cccs2)n1)Nc1ccc(Cl)c([N+](=O)[O-])c1 17935142 ZGBHASZPRPPSNJ-UHFFFAOYSA-N 437.886 4.158 5 20 IIBD Cc1nc(COc2ccccc2C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cs1 19485610 BHBHNEZNVDSDCT-UHFFFAOYSA-N 442.449 4.162 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)cc([N+](=O)[O-])c1 22311762 ZYCVNWFLAYLFIB-UHFFFAOYSA-N 439.346 4.001 5 20 IIBD COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 24079885 BBCULWLKGLCLBZ-QFIPXVFZSA-N 435.436 4.392 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 26119634 BRIZACWFZDNLCA-INIZCTEOSA-N 439.449 4.092 5 20 IIBD Cc1nc2c(cnn2C(C)C)cc1C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 26257168 HYGKTGMMMMAGQV-LBPRGKRZSA-N 445.863 4.066 5 20 IIBD Cc1csc(Sc2ccc(C(=O)OCC(=O)N3C[C@H](C)C[C@@H](C)C3)cc2[N+](=O)[O-])n1 28831655 QTYHCTIIGCELSW-CHWSQXEVSA-N 449.554 4.172 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2NC(=O)c2ccccc2)c1C 32098168 CNXRNHZSZOKKHQ-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD COc1cc(C(=O)NCC(C)(C)c2ccc(Br)cc2)c([N+](=O)[O-])cc1OC 60704970 QFQPPTATKIYTJW-UHFFFAOYSA-N 437.290 4.082 5 20 IIBD COc1ccc(C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC)c2ccc(OC)cc2)cc1 61212053 IMCLVWTULVZMBK-QFIPXVFZSA-N 436.464 4.334 5 20 IIBD O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCCN(c2nccs2)CC1 64750356 RMUDUJDEERZYEX-UHFFFAOYSA-N 437.525 4.016 5 20 IIBD COc1ccc(-c2nnc(SCc3c(F)cccc3[N+](=O)[O-])n2C[C@@H]2CCCO2)cc1 78412057 HYFLWVGWYPKBCG-INIZCTEOSA-N 444.488 4.472 5 20 IIBD NC(=O)c1ccc(SCC(=O)N[C@@H](c2ccc(Cl)cc2)C2CCCC2)c([N+](=O)[O-])c1 78508427 FMONLNKHZDFPQM-HXUWFJFHSA-N 447.944 4.487 5 20 IIBD CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H](C)c1cccc(OC)c1 113170925 RLQNTFLOLLKIGJ-CYBMUJFWSA-N 436.306 4.388 5 20 IIBD Cc1[nH]c2ccccc2c1C1CCN(c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 301074446 ICBGDMGXAWZOQY-UHFFFAOYSA-N 448.523 4.241 5 20 IIBD C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 410098906 DGVQLBLIQOMYNO-LBPRGKRZSA-N 440.374 4.016 5 20 IIBD COc1cccc(Cc2nnc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])s2)c1 410288395 LFMLHMCWEJNILZ-LLVKDONJSA-N 448.888 4.105 5 20 IIBD CS(=O)(=O)c1ccsc1NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 426729729 GIYBUUACEWHTCY-UHFFFAOYSA-N 434.520 4.463 5 20 IIBD C[C@H]1CN(CCC2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC2)C[C@H](C)O1 427312672 JPKQNCDPPVTBHK-HOTGVXAUSA-N 431.558 4.161 5 20 IIBD CCOc1cc(NC(=O)C(=O)N2CCCC[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OCC 430223302 HLZYVOWUJOUSFA-GOSISDBHSA-N 441.484 4.085 5 20 IIBD O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCN(c2cccc(O)c2)CC1 432826461 YLADVPMBEPXQRP-UHFFFAOYSA-N 435.505 4.414 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccccc1CN(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 434942127 IHCNTLMNAVQROD-QGZVFWFLSA-N 432.480 4.047 5 20 IIBD Cc1c(NC(=O)NCc2cccc(Cn3ccnc3)c2)cc(Br)cc1[N+](=O)[O-] 435331086 YQJPHIOVBVBTSI-UHFFFAOYSA-N 444.289 4.232 5 20 IIBD COc1cc(CN(C)C(=O)c2cccc(OC)c2[N+](=O)[O-])ccc1OCc1ccccc1 435608577 UETZZJSTEAFQQC-UHFFFAOYSA-N 436.464 4.463 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC(c1cccc(C)c1)c1cccc(C)c1 438739347 LARFIXHLDGSTSI-UHFFFAOYSA-N 433.464 4.065 5 20 IIBD Cc1cc(C(=O)NC(C)C)ccc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 438792860 ODFQHOUZVKMCFW-UHFFFAOYSA-N 446.312 4.149 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(Cl)c(Cl)cc1F 440035549 HOCQDSOXLRBHKY-UHFFFAOYSA-N 428.247 4.118 5 20 IIBD COc1ccc(NC(C)=O)cc1N(C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(C)C 441586735 GNSGCWYIMKNYMD-AWEZNQCLSA-N 431.514 4.484 5 20 IIBD CCOC(=O)c1ccnc(N[C@@H](c2ccc(OC)cc2)c2ccccc2OC)c1[N+](=O)[O-] 443883537 WIDWLGHCNNGTAZ-FQEVSTJZSA-N 437.452 4.385 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)[C@H](OC1CCOCC1)c1ccccc1 444916151 AJTTUFKXVZPCED-BTYIYWSLSA-N 429.473 4.050 5 20 IIBD Cc1cc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])n(-c2ccccc2F)n1 445176859 GYUNWTAVUOIGHU-UHFFFAOYSA-N 425.239 4.304 5 20 IIBD CCN(Cc1ccccc1)C(=O)Cc1noc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 445800060 SHBPBMILLVBVNO-UHFFFAOYSA-N 449.492 4.360 5 20 IIBD Cc1ccc(CNC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c(OC(C)C)c1 446400570 MKJZVQWYLKGAGH-UHFFFAOYSA-N 436.512 4.482 5 20 IIBD Cc1nc(-c2ccc(S(=O)(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)s2)cs1 446924235 DTPQZHDOJWVELS-UHFFFAOYSA-N 435.552 4.442 5 20 IIBD C[C@@H](Oc1ccccc1Br)C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 460350260 QKQINEBHFMPKRJ-XIKOKIGWSA-N 437.315 4.399 5 20 IIBD C[C@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])Oc1cccc(Cl)c1 460445037 GKZBQZZXKMGEQB-LLVKDONJSA-N 432.782 4.387 5 20 IIBD CCC[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 464189033 WMXIKANCDOJNHP-KKSFZXQISA-N 445.541 4.436 5 20 IIBD Cn1cc(NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])cc1C(N)=O 467632513 HHMQIKBVLFRNIA-UHFFFAOYSA-N 430.873 4.089 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1 472689758 XOBJWWZDHDXDBJ-LLVKDONJSA-N 431.246 4.207 5 20 IIBD CCOC(=O)[C@@H](NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)[C@H]1CCCOC1 475140779 SUMXFBCPHJPIHK-KKSFZXQISA-N 448.903 4.488 5 20 IIBD CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 475218049 XXEQNVKXDQBNKT-QWHCGFSZSA-N 430.427 4.162 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(OCc2ccccn2)c(F)c1 476404862 MDXLOCAGLVNEPK-UHFFFAOYSA-N 437.836 4.162 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)c1cc([N+](=O)[O-])ccc1OC(F)F 477975585 GNCZTCSJEGTLDC-PSASIEDQSA-N 433.230 4.306 5 20 IIBD COc1ccc([C@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)N2CCCC2)cc1 478747737 FLFZOQHEKFEQJM-QHCPKHFHSA-N 438.528 4.115 5 20 IIBD COCCN(C(=O)c1cc2c(s1)CCOC2)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 482293161 ISOAGZRQZNFOHK-UHFFFAOYSA-N 445.522 4.146 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N2CCO[C@@H](C(C)C)C2)cc1[N+](=O)[O-] 482506756 SZEKLSBBQRDSRA-LJQANCHMSA-N 428.510 4.045 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)cc([N+](=O)[O-])c1 487157704 UOEYBSXKVXWICC-UHFFFAOYSA-N 429.335 4.099 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1(c2cccc(OC)c2F)CCOCC1 487726585 SQTBWTWEOUZXAT-KRWDZBQOSA-N 430.476 4.133 5 20 IIBD COC(=O)c1cc(C(=O)Nc2c(C)cc(Br)cc2Cl)cc([N+](=O)[O-])c1 488538439 DPLOLFJIHVEDNM-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(CCO)Cc1cccc(Br)c1 490183133 XTYQCIZUGKKUIU-UHFFFAOYSA-N 447.207 4.011 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C 498407328 GHNZLECYZBRHPB-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD CCOC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])s2)c(C(=O)OC(C)(C)C)c1C 498523379 AMLQGEKPJBRVEW-UHFFFAOYSA-N 440.499 4.411 5 20 IIBD O=C(Nc1cccc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1)C1CCCCC1 499283109 WWZYXTUTKHRFBT-UHFFFAOYSA-N 431.514 4.098 5 20 IIBD Cc1ccc([C@H](C)NC(=O)Nc2ccc(S(=O)(=O)NCCC(C)C)cc2)cc1[N+](=O)[O-] 500049076 KOHRBSGUSRIWIY-INIZCTEOSA-N 448.545 4.110 5 20 IIBD Cc1ccccc1-n1nc(C)c(CN(C)C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c1C 500730689 SGZDKRHZQYIVHG-UHFFFAOYSA-N 431.496 4.319 5 20 IIBD COCCSc1ccc([C@@H](C)NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1 504733131 UIMMIBKVUKMEMT-OAHLLOKOSA-N 426.498 4.010 5 20 IIBD C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 506050697 FITZETBNMQFMEY-CQSZACIVSA-N 431.539 4.164 5 20 IIBD COc1cc(CCNC(=O)N[C@]2(c3ccc(Cl)cc3)C[C@@H]2C)c([N+](=O)[O-])cc1OC 507063290 OQOYCKPJKKMWFY-YEJXKQKISA-N 433.892 4.042 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN(C2CC2)[C@H]2CCS(=O)(=O)C2)cc1 507300247 OQOKIZMOSHMNKZ-KRWDZBQOSA-N 436.917 4.192 5 20 IIBD Cc1nc(CN2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)CC2)oc1C 513434142 GAAOHMCWUCGJNY-UHFFFAOYSA-N 430.892 4.431 5 20 IIBD CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)cc21 513651551 BMWWCQGKWTXQBB-UHFFFAOYSA-N 449.410 4.220 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCCc2nc3ccccc3[nH]2)c([N+](=O)[O-])c1 514921931 DUYOAPCRGVQOQJ-UHFFFAOYSA-N 444.447 4.143 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(CN3CCCC[C@@H]3C)cc2)cc([N+](=O)[O-])c1 515135498 XJKSIOAKHDEIMM-INIZCTEOSA-N 425.485 4.398 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3ccc(F)c(F)c3)no2)c(I)c1 520299777 YKTTUBDBBZXQIQ-UHFFFAOYSA-N 429.120 4.195 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCc2cn3c(C)cccc3n2)c([N+](=O)[O-])c1 531417741 SWNRBIPPXLYQFB-UHFFFAOYSA-N 444.447 4.181 5 20 IIBD Cc1cc(Br)cc([N+](=O)[O-])c1OCc1nc(COc2ccc(F)cc2)no1 532107157 NYDNENXOPBUERV-UHFFFAOYSA-N 438.209 4.346 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c([N+](=O)[O-])c1 533032753 LPWNDCIOHQRIEE-AWEZNQCLSA-N 438.459 4.340 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 533276108 ZLZXYWGNMSIRGU-BBATYDOGSA-N 442.274 4.441 5 20 IIBD Cc1cnn(-c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2F)c1 533327259 BVLWGEWUGPNANU-UHFFFAOYSA-N 444.366 4.048 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC=C(c2c[nH]c3ncccc23)CC1 533343989 PSXKCFKLZHCMAL-CYBMUJFWSA-N 425.876 4.241 5 20 IIBD CC(C)Oc1cccc(CN(C)c2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)c1 535158416 GPFKPYARXQKSHY-UHFFFAOYSA-N 428.876 4.218 5 20 IIBD COc1cc(CCNC(=O)c2ccc(OC3CCC3)cc2Cl)c([N+](=O)[O-])cc1OC 536166333 ZUALTVNALIINHD-UHFFFAOYSA-N 434.876 4.169 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCCc1cc(N)n(-c2ccccc2)n1 537151207 UOSYCMCFYXEPQD-UHFFFAOYSA-N 439.541 4.226 5 20 IIBD Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)nn1-c1cccc(Cl)c1 537489081 HVASNFALBLWUKC-UHFFFAOYSA-N 437.843 4.308 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 542422065 QKHQQPHTNHKPHS-MRXNPFEDSA-N 448.479 4.416 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)c1 544622391 YSFADUSTMKYVFK-UHFFFAOYSA-N 438.918 4.108 5 20 IIBD COc1ccc(C)cc1-n1ccc(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)n1 545072939 BABPJUULQCRCRP-UHFFFAOYSA-N 430.424 4.220 5 20 IIBD Cc1ccc(-n2cnnc2SCc2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)cc1 546561567 OGDDEGPSHBUAKV-UHFFFAOYSA-N 447.480 4.231 5 20 IIBD COc1ccc(OCc2nnc(N(C)Cc3ccccc3[N+](=O)[O-])n2CC(C)C)cc1 549841221 GVVRJQZLVAHAGN-UHFFFAOYSA-N 425.489 4.066 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2ccccc2)C1 554412464 QUYLMFRNRBVTHD-KRWDZBQOSA-N 428.510 4.270 5 20 IIBD O=C(NCc1ccncc1OCc1ccccc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 560719211 DVBAYUIRRNTXTM-UHFFFAOYSA-N 446.507 4.102 5 20 IIBD CC(=O)Nc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)cc1F 566586698 CNWRVQPLVYPEFM-UHFFFAOYSA-N 435.209 4.096 5 20 IIBD Cc1cc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])ccc1-n1cnnn1 574628451 FHGNGQHECHOFQG-UHFFFAOYSA-N 432.465 4.282 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC 580925828 YJCBIRIRDJIFJC-LBPRGKRZSA-N 428.894 4.025 5 20 IIBD O=C(NCC(c1ccccc1)c1ccccc1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 581502664 ZTFFLJVLCFUCNJ-UHFFFAOYSA-N 443.503 4.034 5 20 IIBD CN(Cc1nc(-c2cccs2)no1)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] 582258247 JGUKSMDSBJMXNO-UHFFFAOYSA-N 435.334 4.392 5 20 IIBD CC[C@](C)(NC(=O)c1ccccc1)c1noc(-c2ccc([N+](=O)[O-])cc2Br)n1 584140131 SZIOWNHWJGVDRR-IBGZPJMESA-N 445.273 4.463 5 20 IIBD C[C@]1(c2ccc(Cl)s2)NC(=O)N(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1=O 584422816 BLACFVCIHGWNFT-OAHLLOKOSA-N 433.795 4.296 5 20 IIBD O=[N+]([O-])c1ccc(OCCSc2nc(O)c3cnn(-c4cccc(Cl)c4)c3n2)cc1 604468921 WFADMULPBKPZRL-UHFFFAOYSA-N 443.872 4.254 5 20 IIBD O=C(CC1CCCC1)NCCNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 608837207 CXWLYJOUZGXCOA-UHFFFAOYSA-N 447.539 4.234 5 20 IIBD COc1ccc(CC(=O)NCC2(c3ccc(Br)cc3)CCC2)cc1[N+](=O)[O-] 609016609 RAAQQKDOCJZUCX-UHFFFAOYSA-N 433.302 4.147 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@H]1CSCN1C(=O)C1CCC1 609755444 MCLIBYJKBFNQNS-LJQANCHMSA-N 427.482 4.027 5 20 IIBD Cc1[nH]nc(C(=O)NCc2ccc(Br)cc2Oc2ccccc2)c1[N+](=O)[O-] 609763256 PILHNVMMRCIDFX-UHFFFAOYSA-N 431.246 4.111 5 20 IIBD Cc1ccc(C(=O)NCCNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 609772905 JGBWBPSUJYOPAH-UHFFFAOYSA-N 434.452 4.247 5 20 IIBD C[C@H](NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1nnnn1-c1ccccc1 609780983 IHRMPDCWPGFTQE-HNNXBMFYSA-N 445.439 4.246 5 20 IIBD COc1cc(C(=O)N[C@@H](C)[C@H](OC)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC(F)F 609865773 GBPAVYRQMSGGTO-BTDLBPIBSA-N 444.818 4.364 5 20 IIBD CC[C@@H](C(=O)N1CCC(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1)c1ccccc1 609874818 HCPHNMUDGWYMKZ-HXUWFJFHSA-N 429.904 4.163 5 20 IIBD O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 610226728 XCYVTYOZJWTQPU-SFHVURJKSA-N 436.295 4.464 5 20 IIBD O=C(c1ccc(N2C(=O)CCC2=O)cc1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 610365064 VWJGHKGETRSMBZ-UHFFFAOYSA-N 429.432 4.095 5 20 IIBD CN(C)c1nc(CN[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cs1 610480852 NKPFKJIUIZZOHO-GOSISDBHSA-N 445.932 4.240 5 20 IIBD CCOc1cc(CNC2CC=CC2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 610741107 GBYXQELPRMAHEH-UHFFFAOYSA-N 426.469 4.247 5 20 IIBD C[C@@H](c1ccccc1)n1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 610954357 KFLWARQLRBWMHE-LBPRGKRZSA-N 440.403 4.220 5 20 IIBD CCOc1cc(NC(=O)CCc2nc(-c3cccs3)no2)c([N+](=O)[O-])cc1OCC 619212828 HQOLBCXWNNUSET-UHFFFAOYSA-N 432.458 4.075 5 20 IIBD COc1ccccc1-c1ccc([C@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)cc1 619486908 IVBXWNQWNDMKKD-HNNXBMFYSA-N 442.493 4.319 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1I)c1c(F)cccc1F 726031370 VCKIQTMEBYTAIE-QMMMGPOBSA-N 433.148 4.396 5 20 IIBD COc1cc2c(cc1NC(=O)COC(=O)c1cc(C)cc([N+](=O)[O-])c1N)oc1ccccc12 727899533 AKMUHNUOWGTCJB-UHFFFAOYSA-N 449.419 4.189 5 20 IIBD CC(C)COc1ccc(CC(=O)OC[C@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])cc1 730702660 AYQSCIOSCGUBRB-LJQANCHMSA-N 440.496 4.020 5 20 IIBD COCCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 731457705 AESKINLZSQFQIE-UHFFFAOYSA-N 446.416 4.059 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCC(CCc2ccc(O)cc2)CC1 731921445 BBULYDAOMVZLNS-UHFFFAOYSA-N 440.468 4.146 5 20 IIBD CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 733872920 NXIVMIMNHAJUCO-XOBRGWDASA-N 425.551 4.131 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@@H]3C[C@@H]3c3c(F)cccc3F)CC2)ccc1[N+](=O)[O-] 739386819 YQUDSMLICBURCG-JKSUJKDBSA-N 432.423 4.197 5 20 IIBD CC1CCN(C(=S)SCC(=O)OCc2ccc([N+](=O)[O-])cc2Br)CC1 739579879 NKUKVFLKPSINOB-UHFFFAOYSA-N 447.376 4.151 5 20 IIBD O=C(Nc1ccc(NC[C@H]2CCCO2)c(F)c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 739817132 GYNMRSZKXPLISB-QGZVFWFLSA-N 428.464 4.177 5 20 IIBD Cc1ccc(NC(=O)c2nnc(COC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)s2)cc1 740392034 QPAMKGABMSATBC-UHFFFAOYSA-N 440.481 4.028 5 20 IIBD O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 741739903 GDOZKCVEKWFFLY-INIZCTEOSA-N 438.259 4.153 5 20 IIBD Cc1ccc(C(=O)Nc2ccccc2)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1F 742028807 IBXAGWHLQZPFKP-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Oc1ccc(OC(F)(F)F)cc1 742345085 GLCMOZYVNCBJSH-UHFFFAOYSA-N 442.165 4.024 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3ncoc3-c3ccccc3)CC2)ccc1[N+](=O)[O-] 744204911 TXHMEZXGHUNTSH-UHFFFAOYSA-N 437.452 4.474 5 20 IIBD COC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(Cl)cc1Cl 747597032 WEONWZHFRDOKSU-UHFFFAOYSA-N 439.660 4.142 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)Nc1sc2c(c1C(N)=O)-c1ccccc1CCC2 748799414 CLQROFPJBMKJKA-UHFFFAOYSA-N 437.477 4.172 5 20 IIBD Cc1c(C(=O)OCC(=O)c2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748952481 WDCNGBVOLJKOEQ-UHFFFAOYSA-N 426.303 4.178 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CSCC(=O)N(C)Cc1ccccc1Br 750949259 KMOZOIMHOCGVCK-UHFFFAOYSA-N 439.331 4.258 5 20 IIBD C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 751150141 DQMHFEXBHSSRBU-ZDUSSCGKSA-N 438.311 4.099 5 20 IIBD O=C(CCCCc1ccc(Cl)c(Cl)c1)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 753523098 RTEUWWNTKRCVNB-UHFFFAOYSA-N 445.324 4.261 5 20 IIBD Cn1ccnc1[C@@H](CCc1ccccc1)OC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 754740626 PETYFUQKIBOKPS-OAQYLSRUSA-N 431.452 4.045 5 20 IIBD C[C@@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1nc(-c2cccs2)no1 756530651 YSOAGPRKBNJJHM-SECBINFHSA-N 438.259 4.316 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 756988905 LMSFEIRDMRANGB-CQSZACIVSA-N 436.295 4.070 5 20 IIBD COc1cccc(CN(C[C@@H]2CCCO2)C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c1 757260481 FUTWGBGXFBOEPY-IBGZPJMESA-N 433.892 4.148 5 20 IIBD Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] 759827977 JHRONIQOHBTTQA-UHFFFAOYSA-N 448.357 4.108 5 20 IIBD O=C(NN1CCCC1=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 762646174 INCPBHZKUSUVMI-SAPNQHFASA-N 442.475 4.287 5 20 IIBD C[C@H](Sc1nc2ccccc2s1)C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 762905441 YRKDCCJYZZJYKO-NSHDSACASA-N 442.478 4.479 5 20 IIBD C[C@H](C(=O)OCC(=O)N[C@H](c1ccc(F)cc1)c1cccs1)c1cccc([N+](=O)[O-])c1 763419813 BVRZGLMIVAXZJA-LHSJRXKWSA-N 442.468 4.348 5 20 IIBD CC[C@@H](OC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1c(F)cccc1Cl 763568336 VRMQLUHVTBTUBO-CQSZACIVSA-N 426.853 4.273 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnn(CN(CCCOc3ccccc3)C3CCOCC3)c2)c1 766028142 RGQCVXWPJVBDTC-UHFFFAOYSA-N 436.512 4.366 5 20 IIBD CCN(c1ccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1)C(C)C 766229233 AMAOBNZQDPMAIE-UHFFFAOYSA-N 436.468 4.173 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)C1CCCC1 767409819 IYLWODMDCRLSSD-LJQANCHMSA-N 446.548 4.326 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2cncc(-c3cccc(C)c3)c2)c([N+](=O)[O-])c1 768672033 CJAISMBZYDPFBF-UHFFFAOYSA-N 435.436 4.159 5 20 IIBD O=C(NCc1ccc(NC(=O)c2cccnc2)cc1)Nc1ccc([N+](=O)[O-])c(Cl)c1 770016277 MQKJYCDXOSOGBH-UHFFFAOYSA-N 425.832 4.217 5 20 IIBD Cc1nc(NCC(=O)NCc2ccc([N+](=O)[O-])cc2)c2cc(-c3ccccc3)sc2n1 770860009 XZLBOVWIKCTFPN-UHFFFAOYSA-N 433.493 4.303 5 20 IIBD O=C(O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])[C@@H]1CC(c2c(F)cccc2F)=NO1 776220750 MORLWJLQIQUZDX-FPOVZHCZSA-N 439.374 4.094 5 20 IIBD COc1ccc(-c2nnc(SC[C@H](O)c3ccc([N+](=O)[O-])cc3)n2CC(C)C)cc1 776270622 DVBOBGUTGVOUSY-IBGZPJMESA-N 428.514 4.344 5 20 IIBD COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 776274495 IDHTZZIDBSHREI-WIOPSUGQSA-N 434.492 4.293 5 20 IIBD COC(=O)c1ccc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c(OCC(F)(F)F)c1 777983223 PETAZTUPHCWVJM-UHFFFAOYSA-N 448.300 4.053 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)ccc1F 780296498 QYFJJINWBQNWGH-UHFFFAOYSA-N 426.350 4.138 5 20 IIBD C[C@@H](OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)NC12CC3CC(CC(C3)C1)C2 781267931 IUHHPAIGTIFKEG-AEBPFMNOSA-N 444.531 4.312 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2cnn(CC(C)C)c2)c2ccccc2)c([N+](=O)[O-])c1 781688880 GOTIASTVIKGYEK-NRFANRHFSA-N 436.468 4.293 5 20 IIBD O=C(CCCCNC(=O)c1ccc([N+](=O)[O-])cc1Br)OCc1ccccc1 781925879 BNHADJUIIBAMKZ-UHFFFAOYSA-N 435.274 4.001 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 782723396 HVEHVHBEFKWLGB-RYUDHWBXSA-N 444.435 4.154 5 20 IIBD CN(C(=O)COC(=O)c1c(F)ccc([N+](=O)[O-])c1F)C(c1ccccc1)c1ccccc1 784056387 VTHDWNCQLBTEBT-UHFFFAOYSA-N 440.402 4.278 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N(CC2CCCCC2)C2CC2)cc1[N+](=O)[O-] 784675457 MODMIOOAUAJSMI-UHFFFAOYSA-N 438.322 4.176 5 20 IIBD O=C(NC1CCN(Cc2coc(-c3ccccc3)n2)CC1)c1ccc(Cl)c([N+](=O)[O-])c1 785412241 HPIDTDRODDZNHZ-UHFFFAOYSA-N 440.887 4.298 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1cccnc1F 789007473 KRZBOFVQASPNPN-QGZVFWFLSA-N 429.791 4.319 5 20 IIBD COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1Cl 795758372 LZOHDLUZFGNRAE-UHFFFAOYSA-N 440.644 4.109 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 796528161 PNVWDQYTOZOKCT-UHFFFAOYSA-N 431.297 4.403 5 20 IIBD C[C@H](Oc1ccc2ccccc2c1)C(=O)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 796661236 HKNLABRBUNWWBT-AWEZNQCLSA-N 442.855 4.142 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(Nc3ccc(Cl)c(CN4CCOCC4)c3)CC2)cc1 797588793 YFJVTZLKZWCAGS-UHFFFAOYSA-N 430.936 4.161 5 20 IIBD CC(=O)c1ccc(N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 799986545 UAFBGOZAFWFBRT-RBUKOAKNSA-N 425.485 4.295 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 800377353 MDUJHJLXSVEAML-FDLIQICQSA-N 437.496 4.127 5 20 IIBD COc1ccccc1O[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 804715100 BWIYNXQJOZJIRA-IBGZPJMESA-N 439.512 4.277 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N(Cc2ccco2)c2ccccn2)c(Cl)cc1Cl 809811200 FEVXVCGLIYVQGB-UHFFFAOYSA-N 428.253 4.285 5 20 IIBD C[C@H]1CC(=O)Oc2cc(OS(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)ccc21 809840004 LDJGQPCAQIWPKI-QMMMGPOBSA-N 432.237 4.082 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 809913416 JGOUHXNPIVTQSL-GFCCVEGCSA-N 426.901 4.405 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)NS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 810965652 XWQRWKLFGLCLOR-UHFFFAOYSA-N 446.868 4.088 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2ccc(C(=O)OCc3ccccc3)cc2)s1 811853140 OFKLHAHWIJWBFR-UHFFFAOYSA-N 446.506 4.029 5 20 IIBD Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c(C(=O)NCC(F)(F)F)cc1F 813290297 BWUORLMWCKYLJB-UHFFFAOYSA-N 447.772 4.169 5 20 IIBD Cc1sc(S(=O)(=O)N[C@@H](C)c2ccc(C(F)(F)F)nc2Cl)cc1[N+](=O)[O-] 815051131 KHCRSKHOTHLCDT-LURJTMIESA-N 429.829 4.071 5 20 IIBD COC(=O)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 816512039 VMQPQAAYJOIWPX-UHFFFAOYSA-N 428.510 4.275 5 20 IIBD CC[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 854987954 NEYWSEIOXJGDOK-ZIAGYGMSSA-N 433.892 4.320 5 20 IIBD O=[N+]([O-])c1ccc(NCc2ccc(Br)cc2F)c(F)c1N1CCOCC1 864007826 VYBHIMUKSWAGMY-UHFFFAOYSA-N 428.233 4.084 5 20 IIBD Cc1c(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 875023955 OVQVLSUMSNOHSF-UHFFFAOYSA-N 434.380 4.389 5 20 IIBD COc1cc(C(=O)OCc2cc(Cl)c(OC(F)F)c(OC)c2)c([N+](=O)[O-])cc1OC 892100614 IIFWSIULNYAGOR-UHFFFAOYSA-N 447.774 4.232 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cccc(OCc2cscn2)c1 914798812 MQJYEXYMLBEQNY-UHFFFAOYSA-N 438.421 4.037 5 20 IIBD CCNC(=O)c1ccccc1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 915175634 VLEYUJOPYACSAN-UHFFFAOYSA-N 427.404 4.094 5 20 IIBD COc1cc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc(OC)c1OC 916057036 KFOBSVIJPSAZEZ-HNNXBMFYSA-N 443.500 4.102 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@H](C)SCc1nc(O)c2c(C)c(C)sc2n1 916403790 ZFZYXBXYLZNBOP-LBPRGKRZSA-N 433.511 4.458 5 20 IIBD COc1cccc(OC)c1OC1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 916669358 TVHGUDLFYXRWEU-UHFFFAOYSA-N 435.864 4.341 5 20 IIBD O=C(OCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1)c1csc([N+](=O)[O-])c1 917282872 LDMIBXHMHBQZIP-ZDUSSCGKSA-N 447.519 4.314 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)c1cc(-c2ccccc2)[nH]n1)c1cccc([N+](=O)[O-])c1 918637861 NENJYEULRKJCPA-LJQANCHMSA-N 448.479 4.227 5 20 IIBD C[C@@H](OC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1ccccc1[N+](=O)[O-] 920267768 JOIOVXYUTYPJFY-CQSZACIVSA-N 444.440 4.453 5 20 IIBD O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCC(OCCc2ccccc2)CC1 921289683 ZJZBALKXULBWTK-UHFFFAOYSA-N 433.302 4.221 5 20 IIBD C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 1117715345 INMCJAFCCMPKDD-FNXHNPQUSA-N 436.556 4.487 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](c2ccc(Cl)s2)C1 1253838622 LHIRVVHSHFAWOW-CQSZACIVSA-N 442.946 4.262 5 20 IIBD CC(=O)N1Cc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)cc2C1 1318971366 IIPFTRSOSPXGPN-UHFFFAOYSA-N 430.464 4.321 5 20 IIBD COc1cc(-c2nnc(-c3cc(Br)cc([N+](=O)[O-])c3)o2)cc(OC)c1OC 1329239175 QRFWDQUDYUHRCX-UHFFFAOYSA-N 436.218 4.100 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@@H]3CCCCC3(F)F)cc2)CCC1)c1ccc([N+](=O)[O-])[nH]1 1786465893 NPNSOVUQVKRMAS-INIZCTEOSA-N 446.454 4.496 5 20 IIBD CC[C@H](C(=O)NC1(c2ccc(NC(=O)c3nc[nH]c3[N+](=O)[O-])cc2)CCC1)c1ccccc1 1788611788 QIWDYWSPHXIWMF-IBGZPJMESA-N 447.495 4.259 5 20 IIBD CO/C=C(\C)C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)CCC1 1790622267 PQYOFRDVSSMBPJ-BUHFOSPRSA-N 427.432 4.032 5 20 IIBD Cc1c(Cl)cccc1C(=O)N1CCCC2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)C1 1805099063 IOTUAGSOLAKUDV-UHFFFAOYSA-N 444.919 4.043 5 20 IIBD CC/C=C(\C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])[C@H]1c1cccnc1 1814191520 CMVWPHUQVHPHIP-IDSBSLDZSA-N 448.523 4.065 5 20 IIBD C/C=C/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])[nH]n1 1821916941 KOVVSNLUMOYLCI-LVWGAOMQSA-N 435.484 4.156 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCC([C@H]2CCCCN2C(=O)C2CCCC2)CC1 1826250809 FMQUZWZEIWPKJW-CSNYQSHPSA-N 429.517 4.011 5 20 IIBD Cc1cc(C)n(-c2ccc(C(=O)O[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2)n1 8711321 AKEYKDRIYGSQAD-CQSZACIVSA-N 442.859 4.235 5 20 IIBD O=C(COC(=O)COc1ccc2ccccc2c1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 10593406 GXLCHHFYLAPKLL-UHFFFAOYSA-N 448.353 4.328 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1[N+](=O)[O-] 14376175 ARTSTVIYOXZGCW-QGZVFWFLSA-N 438.402 4.355 5 20 IIBD O=[N+]([O-])c1cc2c(c(CSc3nnc(Cc4cccs4)n3C3CC3)c1)OCOC2 16048658 LIWXCOVDNFMXFJ-UHFFFAOYSA-N 430.511 4.332 5 20 IIBD Cc1ccc(Nc2nnc(SCC(=O)N3CCc4cc([N+](=O)[O-])ccc43)s2)cc1C 16754989 CREAEWLFZTVPKF-UHFFFAOYSA-N 441.538 4.488 5 20 IIBD CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 18155149 NRUGOKLQCHULNM-UHFFFAOYSA-N 441.509 4.488 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2nnc3n2CCCCC3)c1 20909708 VESJYHCKLCTECA-UHFFFAOYSA-N 434.500 4.411 5 20 IIBD C[C@H](Sc1nnc(-c2ccncc2)n1-c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] 21740344 MWZCJEUXDSTBBO-HNNXBMFYSA-N 446.492 4.357 5 20 IIBD CCS(=O)(=O)c1ccc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1 32618706 UKHUPHHTWIXVOT-HZPDHXFCSA-N 445.541 4.123 5 20 IIBD COc1ccc(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)c([N+](=O)[O-])c1 57647866 ZDWBPAQBHACXPP-UHFFFAOYSA-N 433.873 4.474 5 20 IIBD Cc1cccc(NC(=O)Nc2cccc(CNC(=O)COc3cccc([N+](=O)[O-])c3)c2)c1 59339007 JWOFJIIOYGULNH-UHFFFAOYSA-N 434.452 4.242 5 20 IIBD Cc1cc(N)nc(S[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)n1 60710061 HGKUHWHYDKAFDC-KRWDZBQOSA-N 429.889 4.401 5 20 IIBD CCN(C[C@@H]1COc2ccccc2O1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 64894380 CLAFRYLMCCVWAJ-MRXNPFEDSA-N 425.466 4.020 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CNc1ccc([N+](=O)[O-])cc1OC(F)F 302036989 FYQXWXKXUQOROB-UHFFFAOYSA-N 430.205 4.318 5 20 IIBD CCC[C@H]1CCc2nc(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)sc2C1 303438866 HJCGPPNYXWDMIU-GXTWGEPZSA-N 448.570 4.261 5 20 IIBD O=C(NCc1nc(-c2ccc(Cl)cc2)no1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 426476191 QIQDBYBOWGAIKR-UHFFFAOYSA-N 427.848 4.172 5 20 IIBD CC(C)(C)Oc1ccc(NC(=O)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 427895366 OBENSDBMXHVKPX-UHFFFAOYSA-N 439.390 4.046 5 20 IIBD O=C(NCc1cccc(NC(=O)C2CCC2)c1)c1ccc(Br)cc1[N+](=O)[O-] 429968641 UMLSKLVZVQZYQW-UHFFFAOYSA-N 432.274 4.026 5 20 IIBD COc1ccccc1-c1noc(C2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)n1 432985141 OZQXILTTWYUFJT-UHFFFAOYSA-N 437.456 4.373 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1cccc(OCc2ccccc2)c1 434192237 WJPXKDSEMSUDEU-ROUUACIJSA-N 447.491 4.170 5 20 IIBD O=C(Nc1ccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1)C1CC1 438799496 YIWIFPIQSVNINE-UHFFFAOYSA-N 430.269 4.051 5 20 IIBD CCOC(=O)C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1C)c1ccc(Br)cc1 439084441 KIBNXSVWXWHYRC-KRWDZBQOSA-N 449.301 4.019 5 20 IIBD C[C@@H]1CCN(C(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)[C@H]1CO 443397685 ZMDLFAODPMDNTP-RFYOCPMDSA-N 437.521 4.365 5 20 IIBD CCO[C@@H]1C[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C12CCCC2 444112798 DANDRMHAVXKGIS-RTBURBONSA-N 426.463 4.427 5 20 IIBD CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 444544276 KDYVEUFZPUYCIW-UHFFFAOYSA-N 438.484 4.342 5 20 IIBD Cc1ccc(CNC(=O)c2cccc(CNC(=O)CCc3cccc([N+](=O)[O-])c3)c2)cc1 445821796 ZUYKGDIBKDPPSM-UHFFFAOYSA-N 431.492 4.082 5 20 IIBD Cc1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c2ccc(Br)cc2n1 446437372 HDPIQTWGERSVQZ-UHFFFAOYSA-N 426.270 4.412 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@H](c1ccccc1)c1cccc(F)c1 446643867 IXFHCJXWQHQYNO-HSZRJFAPSA-N 449.438 4.328 5 20 IIBD O=C(c1ccc(F)cc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 447709136 JNCZNTRKBDWGPI-UHFFFAOYSA-N 435.249 4.232 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[C@@H]4[C@@H](CCCN4C4CC4)C3)cc2[N+](=O)[O-])C1 448200848 YYJQPPNXFNWFIY-GXKRZCMTSA-N 440.588 4.166 5 20 IIBD CC(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@](CO)(c2ccccc2)C1 460575529 ADGLDDAXJLDZFI-XMMPIXPASA-N 435.528 4.040 5 20 IIBD O=[N+]([O-])c1ccc(/C=C(/Cc2nc(Cn3cncn3)no2)c2nc3ccccc3s2)cc1 460750072 UUVPWGJZLHMCBE-DHDCSXOGSA-N 445.464 4.011 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@@H]3[C@@H]3CCCO3)n2Cc2cccs2)c1 461309676 PEVTTXDFCMXOHJ-MOPGFXCFSA-N 425.514 4.111 5 20 IIBD COc1ccc(CNC(=O)C[C@@H](C)c2ccc(F)c(Br)c2)cc1[N+](=O)[O-] 461928764 UYPKYTGLYOYCCV-LLVKDONJSA-N 425.254 4.315 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1ccc(Cl)c2ccccc12 462215071 VHCPBENOFSYEQJ-GFCCVEGCSA-N 432.885 4.296 5 20 IIBD C[C@@H](CCc1cccn1C)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 462905393 YLXHYLHVIPPABF-INIZCTEOSA-N 428.514 4.167 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 462923181 DCDUCSYKQJILQV-IRXDYDNUSA-N 444.919 4.089 5 20 IIBD CCn1c(SCC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nc2ccccc21 464639787 PTGQOWSDYORDJL-UHFFFAOYSA-N 440.525 4.127 5 20 IIBD CN(CCc1ccc(Br)cc1)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl 467218014 NLADHGZCKAVVLK-UHFFFAOYSA-N 426.698 4.395 5 20 IIBD Cc1ccc(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c(-n2cc(Cl)cn2)n1 469171561 ZNGNXSRONJTIKU-UHFFFAOYSA-N 440.891 4.012 5 20 IIBD CC[C@@H](Cc1ccccc1Br)NC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 470154536 IEBGBVIVJBQVKL-AWEZNQCLSA-N 437.290 4.126 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 472212625 WVKHGSCIEWTXTB-UHFFFAOYSA-N 437.427 4.072 5 20 IIBD COc1ccccc1[C@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)OC(C)C 474143148 CJLMNKNECHHWGG-QFIPXVFZSA-N 427.501 4.444 5 20 IIBD Cc1ccc(C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)cc1[N+](=O)[O-] 474537354 VCBBXJXGGXQSPT-UHFFFAOYSA-N 432.318 4.060 5 20 IIBD Cc1nc2ccccc2n1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 477446490 JZYVPCUMXILPMH-UHFFFAOYSA-N 443.301 4.493 5 20 IIBD Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1NC(=O)N(C)C 478648509 DJFVAMQGBCTDRW-UHFFFAOYSA-N 428.492 4.195 5 20 IIBD COC(=O)C[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(C(F)(F)F)cc1 479356368 XIQHPJLGIGBAOC-GOSISDBHSA-N 449.385 4.058 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)c1C 480926126 KQCZUWCNDZGABH-QGZVFWFLSA-N 441.509 4.225 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1CN1CCCC1=O 481529013 YTKYBPZNLIURNZ-UHFFFAOYSA-N 441.553 4.395 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)c1[N+](=O)[O-] 481862686 VLBWACNALKZLMV-UHFFFAOYSA-N 442.881 4.323 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(N3CCCC3=O)ccc2Cl)cc1SC 482871176 SLGOCFJBPFHSML-UHFFFAOYSA-N 435.889 4.358 5 20 IIBD COc1cc(OC)c(OC)cc1NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 483397276 RDPMTVVVZBCQPD-GJZGRUSLSA-N 443.500 4.355 5 20 IIBD Cc1c([C@H](C)NCc2cccnc2Oc2cccc(S(C)(=O)=O)c2)cccc1[N+](=O)[O-] 483733083 RTYQWBZLFNCVIQ-INIZCTEOSA-N 441.509 4.345 5 20 IIBD CCOC(=O)c1csc([C@@H]2CCCN2Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)n1 484899597 JKARGDPRAYVAIP-KRWDZBQOSA-N 428.470 4.220 5 20 IIBD COc1ccc(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1OC1CCCC1 485440364 POWHAOQMDZCXDC-UHFFFAOYSA-N 436.468 4.041 5 20 IIBD CCOc1cc(CNc2cnc3ccccc3n2)ccc1OCCn1c([N+](=O)[O-])cnc1C 486345923 DDELPZJQJZAYIC-UHFFFAOYSA-N 448.483 4.133 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1cc2c(cc1Cl)OCCO2 486652246 CEZMNXKJDTTXJD-UHFFFAOYSA-N 431.754 4.360 5 20 IIBD O=C(c1ccc2cc(Br)ccc2c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 487046497 TUXZWTRORVQIPW-UHFFFAOYSA-N 429.274 4.184 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1NC(=O)c1ccncc1 488459761 LWFJWGFORBFUGE-UHFFFAOYSA-N 442.378 4.404 5 20 IIBD CN(Cc1cccc2ccccc12)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 488971819 NJYFIWWWEDJKGK-UHFFFAOYSA-N 435.299 4.331 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2cccc(O)c2)cs1 489534433 CRMZDMRMUFHUKA-UHFFFAOYSA-N 431.495 4.415 5 20 IIBD CN1CC[C@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 493919852 KFWTZXBWFXFYRW-FOIQADDNSA-N 433.911 4.474 5 20 IIBD Cc1ccc(Br)c(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 497952269 OENXRDKWARGDSK-UHFFFAOYSA-N 425.304 4.019 5 20 IIBD O=C(c1cnc2c(cnn2Cc2ccccc2)c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 498140422 NQSQOSSPVNFFJL-HSZRJFAPSA-N 445.504 4.276 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC(c4ncc[nH]4)CC3)cc2[N+](=O)[O-])n1 499060651 ZIHXKSGLPMPJKD-UHFFFAOYSA-N 429.527 4.254 5 20 IIBD COc1cc(C(=O)Nc2ccc(F)cc2OCCC(F)(F)F)c([N+](=O)[O-])cc1OC 500190727 OVTAKFHVIZWLHH-UHFFFAOYSA-N 432.326 4.335 5 20 IIBD COc1ccc(CCNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)c(Cl)c1OC 500553739 WUDIWWONKLVRJN-UHFFFAOYSA-N 432.782 4.257 5 20 IIBD COc1ccc(CCNC(=O)c2sc(Br)cc2[N+](=O)[O-])c(Cl)c1OC 500623980 JLWJTCGLCAHNAK-UHFFFAOYSA-N 449.710 4.062 5 20 IIBD Cc1csc(Sc2ccc(-c3nc([C@H]4CN(C(C)C)CCO4)no3)cc2[N+](=O)[O-])n1 500916031 PLHUENZNOJEFOF-OAHLLOKOSA-N 447.542 4.343 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccccc2C(F)(F)F)cc1OC 500968662 JUPSZVNGCHFVFJ-LBPRGKRZSA-N 442.390 4.138 5 20 IIBD CC(C)(C)n1cc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)cn1 503104387 ZUPTTZJNJPJJOF-UHFFFAOYSA-N 445.526 4.336 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC1CCN(CC(F)(F)F)CC1 506713989 KOBNFWGQSUKDJA-UHFFFAOYSA-N 433.496 4.491 5 20 IIBD C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 508179112 GEUBIRCAGPNZCM-ZDUSSCGKSA-N 433.386 4.288 5 20 IIBD CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 508457058 NJLUMQAKOMLVLW-FZKQIMNGSA-N 447.438 4.134 5 20 IIBD CCCN(C(=O)c1cc(SC)ccc1[N+](=O)[O-])C1CCN(C(=O)c2ccccc2)CC1 509275555 VTZHXMRLEYHHKA-UHFFFAOYSA-N 441.553 4.474 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C)c1ccncc1F 509455523 QUQVIGCCZCOQCL-ZDUSSCGKSA-N 446.460 4.111 5 20 IIBD Cc1ccc(OCc2cccc(C(=O)Nc3ccnn3-c3ccc([N+](=O)[O-])cc3)c2)cn1 510862455 MKTKFLQZDIMTAF-UHFFFAOYSA-N 429.436 4.315 5 20 IIBD COC(=O)c1c(F)cc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1F 512561372 XZTSZCWXQVLDJD-UHFFFAOYSA-N 433.411 4.148 5 20 IIBD O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 516765196 PSWJNIZXPLCCBI-OAQYLSRUSA-N 435.484 4.178 5 20 IIBD C[C@@H](c1nnc(Sc2ncnc3sc([N+](=O)[O-])cc23)n1-c1ccc(F)cc1)N(C)C 516883502 BKGVEIVFUQNMKY-JTQLQIEISA-N 445.505 4.093 5 20 IIBD COc1cc(OCC(=O)Nc2nc3c(s2)C[C@H](c2ccccc2)CC3)ccc1[N+](=O)[O-] 519074993 GAIBWHCWCNLRPB-OAHLLOKOSA-N 439.493 4.350 5 20 IIBD C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 521364198 KHSGQDWVAFYESR-VLIAUNLRSA-N 426.860 4.036 5 20 IIBD COc1ccc(OC2CCN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)cc1 522667709 CKFYMBXNMXPMCX-UHFFFAOYSA-N 439.493 4.411 5 20 IIBD Cc1[nH]nc(C(=O)Nc2nnc(SCc3c(Cl)cccc3Cl)s2)c1[N+](=O)[O-] 523684311 SJQPJHPSBHLIBY-UHFFFAOYSA-N 445.313 4.329 5 20 IIBD C[C@@H](C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1cccc(F)c1 525629812 PUUQQPZFFKAJGG-CYBMUJFWSA-N 425.382 4.205 5 20 IIBD CC(=O)N(CCc1ccccc1)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 534178992 IHZGWAGGJSFCNC-UHFFFAOYSA-N 438.509 4.056 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@H](c1ccccc1Cl)N1CCCC1 534650197 KDCRELVMTHPQRK-OAQYLSRUSA-N 426.904 4.225 5 20 IIBD O=C(N[C@@H]1C=C[C@H](CO)C1)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 536409177 DMVUSGUSKQLCDA-GXTWGEPZSA-N 427.507 4.023 5 20 IIBD CCOC(=O)c1ccnc(NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] 536500819 CBAHLYVNHZAOGY-DYVFJYSZSA-N 436.871 4.064 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 536686501 AGUGXVTUUVURBE-IYBDPMFKSA-N 425.485 4.022 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CCC1CCN(c2ccncc2)CC1 537846418 SDQITYNTYQPUHR-INIZCTEOSA-N 445.951 4.209 5 20 IIBD Cc1nc(COc2ccc(NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])cc2)no1 542214189 NFFQTFOPLKCBCQ-UHFFFAOYSA-N 434.861 4.249 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(-c3nc(C4CC4)no3)cc2C)cc1C 542236301 GGTGRPHDTPQZST-UHFFFAOYSA-N 428.470 4.248 5 20 IIBD COC(=O)c1ccc(-c2csc(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)n2)cc1 542513881 ZPEGRXSJSMDZHJ-LLVKDONJSA-N 429.429 4.386 5 20 IIBD CC(=O)c1cccc(OCc2cc(-c3nc(Cc4cccc([N+](=O)[O-])c4C)no3)no2)c1 545779870 YJXQHRIFISPSGF-UHFFFAOYSA-N 434.408 4.314 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(CSC[C@@H]3CCCCO3)n2)c(Br)c1 546450137 ADTZZDHCNCRXQA-ZDUSSCGKSA-N 428.308 4.133 5 20 IIBD Cc1cc(Cc2noc(-c3cccc(C)c3I)n2)ccc1[N+](=O)[O-] 547197228 IHCJUTIWYCLBTR-UHFFFAOYSA-N 435.221 4.457 5 20 IIBD CC[C@@H](NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)c1cc(F)cc(Br)c1 547928164 VSJRIUDVNRQGFE-OAHLLOKOSA-N 425.254 4.315 5 20 IIBD COc1cc(F)c(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1OC 548692116 ARZOLGQLIDHVMI-UHFFFAOYSA-N 428.366 4.368 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3C[C@H](N4CCCC4)C[C@H]3C)cc2[N+](=O)[O-])n1 553168783 VABZZQIDNYXPTA-GDBMZVCRSA-N 432.571 4.210 5 20 IIBD COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)cc(S(C)(=O)=O)c1 553598130 XNMYVKYMESTASR-UHFFFAOYSA-N 438.527 4.007 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CC[C@H](C(F)(F)F)[C@@H](CO)C3)c([N+](=O)[O-])c2)cc1 553601773 OSEFSSBUFTXIJO-WBVHZDCISA-N 437.418 4.153 5 20 IIBD CCc1nccn1C[C@H]1CCCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C 555848339 YFYAIMDKODGAIL-CQSZACIVSA-N 436.310 4.121 5 20 IIBD CCOc1ccc(NC(=O)CNc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c([N+](=O)[O-])c1 577499808 DGLMUUVYHMPHKZ-UHFFFAOYSA-N 449.389 4.249 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cnn(-c2ccccc2Br)c1 577630143 JDEQOEPVIHWMBE-UHFFFAOYSA-N 444.289 4.249 5 20 IIBD Cc1cc(C)n(-c2ccc(CC(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)cc2)n1 580686194 KWFQYBVMTSYMOF-UHFFFAOYSA-N 432.402 4.275 5 20 IIBD COc1ccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1NC(=O)C1CCCCC1 584859010 BVELBYVJJVWTGJ-UHFFFAOYSA-N 447.513 4.231 5 20 IIBD CN1CCC(N2CC[C@@H](N(C)Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)C2)CC1 589196072 VHKXIXWJTNQBLH-OAQYLSRUSA-N 442.535 4.127 5 20 IIBD CCCCCn1cc(CNCc2cc(I)cc([N+](=O)[O-])c2)c(C)n1 589316058 KDBOAGUYOATFFF-UHFFFAOYSA-N 442.301 4.184 5 20 IIBD O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCOc2ccccc2C1 604187113 GWIJUBIDVZZLID-UHFFFAOYSA-N 449.429 4.251 5 20 IIBD CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1 609698046 SLYVFNLZNBKVDK-PMERELPUSA-N 426.498 4.080 5 20 IIBD COC(=O)c1ccc(N2CCCC2)c(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c1 609723152 ZPSLFEPXTCOCOI-UHFFFAOYSA-N 447.875 4.043 5 20 IIBD COc1cc(C(=O)NCc2nc3ccccc3n2C(C)C)c([N+](=O)[O-])cc1OC(F)F 609839120 KXZYNSPOEHCYAJ-UHFFFAOYSA-N 434.399 4.065 5 20 IIBD Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1C 609853379 OAMWQZDAHQLCEY-LJQANCHMSA-N 445.903 4.125 5 20 IIBD CSc1ccc(C(=O)N(Cc2c(C)noc2C)Cc2c(C)noc2C)cc1[N+](=O)[O-] 609908558 HWROQHJNAKJTSH-UHFFFAOYSA-N 430.486 4.369 5 20 IIBD O=c1c(Cl)c(NCc2ccccc2OCC2CC2)cnn1-c1ccc([N+](=O)[O-])cc1 610077552 YTVDYGUIZJVCLQ-UHFFFAOYSA-N 426.860 4.195 5 20 IIBD Cc1c(Br)cc(C(=O)N(c2ccccc2)C2CCN(C)CC2)cc1[N+](=O)[O-] 611073255 NXZVOFMIHJETSZ-UHFFFAOYSA-N 432.318 4.407 5 20 IIBD O=C(CN1CCC(NC(=O)c2cc3ccccc3c3cccnc23)CC1)Nc1ccccc1 643137826 IDEGYXZJQCRPFZ-UHFFFAOYSA-N 438.531 4.221 5 20 IIBD COc1cc(C(=O)O[C@@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)ccc1[N+](=O)[O-] 725944766 BDBDMSIQGYTZNW-QGZVFWFLSA-N 440.374 4.442 5 20 IIBD Cc1oc(-c2ccsc2)nc1CC(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 727053158 WFWQORSUYYAYSN-UHFFFAOYSA-N 442.497 4.017 5 20 IIBD CC(C)c1nc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cs1 727330488 RDYRYBBPRNFAKE-UHFFFAOYSA-N 428.436 4.156 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC(c2nc(-c3ccccc3)no2)CC1 728888436 SZFNZHOAFFDCBL-UHFFFAOYSA-N 447.495 4.265 5 20 IIBD O=C(NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F)Nc1ccc(Cl)c([N+](=O)[O-])c1 729545226 CDWZDSLRBBUQPO-HNNXBMFYSA-N 438.189 4.473 5 20 IIBD CCCOc1c(Cl)cc(C(=O)O[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC 731506272 UUAPPFPCYKLRQW-QGZVFWFLSA-N 448.859 4.008 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(Cc1ccsc1)c1ccccc1 731624729 GUDFOGWNGHXZHB-UHFFFAOYSA-N 426.450 4.090 5 20 IIBD COC(=O)[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cccc(Cl)c1 733821880 WQASWAQIYZCPIA-HSZRJFAPSA-N 435.863 4.266 5 20 IIBD CC(C)(C(=O)O[C@H]1CCCN(C(=O)c2ccccc2Cl)C1)c1ccc([N+](=O)[O-])cc1 740556877 FTRBCHVMLMWAIF-KRWDZBQOSA-N 430.888 4.374 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@H](CC(C)C)c1ccc(Cl)cc1 741702681 ILVGMQJVANXMAF-QGZVFWFLSA-N 434.876 4.352 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCCC3)c1 741887271 AXHVXQDKBGUJJX-AWEZNQCLSA-N 443.525 4.005 5 20 IIBD Cc1c(C(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 741971016 FSZUYRWYTKGNFO-UHFFFAOYSA-N 435.396 4.019 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Oc2ccc(N(C)C(=O)OC(C)(C)C)cc2)c1C 742332961 UIMSTXXOLFXTRR-UHFFFAOYSA-N 436.486 4.351 5 20 IIBD O=C(NCCOC1CCC1)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 742817428 NULUMEXERIDKJA-UHFFFAOYSA-N 437.540 4.353 5 20 IIBD O=C(Nc1cc(Cl)ccc1O)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 747979777 LQSDDQUZRPIJIG-UHFFFAOYSA-N 438.267 4.098 5 20 IIBD CCC(=O)Nc1cccc(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)c1 750841784 OVNUKHCBTSSSJN-UHFFFAOYSA-N 440.681 4.289 5 20 IIBD O=C(NCc1ccc(Cn2cccn2)cc1)c1cc(Br)cc([N+](=O)[O-])c1Cl 750842960 FSRMARHVLDCJCM-UHFFFAOYSA-N 449.692 4.186 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CC(c2nc3ccccc3[nH]2)C1 750905518 RONVVPCIYXWGNE-UHFFFAOYSA-N 435.665 4.127 5 20 IIBD C[C@@H](NC(=O)N1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 751082859 KNMGHQABYYDIQL-MRXNPFEDSA-N 446.548 4.477 5 20 IIBD CC(C)n1c([C@H]2CCCN2S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])nc2ccccc21 751253342 WAFCBFPMFKEOAP-QGZVFWFLSA-N 432.477 4.190 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc(COc3ccccc3)c2)cc1[N+](=O)[O-] 752138981 XJBFIHOFULTBPW-QGZVFWFLSA-N 433.464 4.298 5 20 IIBD O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@H](Oc2ccccc2Cl)C1 752374958 IGGADLPNWKKGDJ-LBPRGKRZSA-N 425.666 4.304 5 20 IIBD Cc1cc(-c2nc([C@H](CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)no2)ccc1[N+](=O)[O-] 752862833 FYXMXXJGQJAISD-AWEZNQCLSA-N 448.476 4.251 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)c1Br 754032586 WRJLLWSJKDODLQ-GFCCVEGCSA-N 443.342 4.190 5 20 IIBD C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 755019732 KUVJSTYQRGIYJA-ZKQHCESOSA-N 433.804 4.130 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)OCc1csc(N(C(C)=O)c2ccccc2F)n1 755674320 NQTDISHCNQKZNZ-UHFFFAOYSA-N 445.428 4.241 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)CSc2ccc(F)cc2)c([N+](=O)[O-])c1 756713309 FBEBOVLGWSMAAC-CHWSQXEVSA-N 436.461 4.041 5 20 IIBD Cc1ccc(-c2nnc([C@H](C)OC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)o2)cc1C 758936105 KVHBIPMFANZZPS-HNNXBMFYSA-N 433.424 4.365 5 20 IIBD O=C(O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1csc(COc2ccc(F)cc2)n1 759938873 AHXAJTTYIUDMCB-IRXDYDNUSA-N 446.460 4.307 5 20 IIBD C[C@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C(=O)N1CCC[C@@H]1c1cccs1 762999482 OWQMBNIUIVNXNG-SUMWQHHRSA-N 434.489 4.368 5 20 IIBD CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 763077656 GFNYOCSXQUJAHS-UHFFFAOYSA-N 439.396 4.021 5 20 IIBD O=C(O[C@@H]1CCO[C@@H]([C@@H]2CCOC2)C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 763107305 ZXBAXHCCOUFTJK-WRWLIDTKSA-N 429.494 4.487 5 20 IIBD O=C(COC(=O)c1ccc(C(F)(F)F)nc1Cl)Nc1cc([N+](=O)[O-])ccc1Cl 766124961 DXLCEYOOQYPVHA-UHFFFAOYSA-N 438.145 4.111 5 20 IIBD COc1c([N+](=O)[O-])cc(NCCc2cc3ccccc3[nH]2)c([N+](=O)[O-])c1Br 771184204 LDPHCNXRLRQTJB-UHFFFAOYSA-N 435.234 4.410 5 20 IIBD Cc1cc(S(=O)(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)cc([N+](=O)[O-])c1F 771754348 OXQQDYQUORIHPJ-UHFFFAOYSA-N 435.452 4.231 5 20 IIBD CC1(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CCN(Cc2ccccc2)CC1 772722851 IVJLZBYQIJEMHY-UHFFFAOYSA-N 445.903 4.032 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1ccc(N2CCOC2=O)cc1 775091750 VHXWWAHUDJQTMB-UHFFFAOYSA-N 444.465 4.092 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 775537976 YIAFZROLFNDAPC-PBHICJAKSA-N 437.562 4.471 5 20 IIBD CSc1cccc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 778886700 BQCKOSRUPQLGOU-JTQLQIEISA-N 426.397 4.102 5 20 IIBD Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 778890539 JWPZBCBYPCSFGP-CQSZACIVSA-N 434.880 4.115 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 779163271 SDVORVGNNGYPST-GXTWGEPZSA-N 428.327 4.092 5 20 IIBD CC(C)(C)C(=O)Nc1sc2c(c1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 779445019 JAQCUSFYZOWODO-UHFFFAOYSA-N 430.482 4.169 5 20 IIBD COc1ccc2cc([C@@H](C)OC(=O)COc3cc([N+](=O)[O-])c(C=O)cc3OC)ccc2c1 783541275 ZRKGLXXDXGLJTC-CQSZACIVSA-N 439.420 4.261 5 20 IIBD COc1ccc(-c2noc([C@H](C)OC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 783704816 WARKYALNFBAVKJ-LBPRGKRZSA-N 447.831 4.380 5 20 IIBD Cc1ccc(N2CCNC2=O)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 785953599 QVGHWBVQPBAVTM-UHFFFAOYSA-N 432.436 4.477 5 20 IIBD O=C(Nc1ccc(OC(=O)[C@H]2CCCN2C2CC2)cc1)c1cc([N+](=O)[O-])ccc1Cl 786769938 YUQMTWXBPSKSCO-LJQANCHMSA-N 429.860 4.033 5 20 IIBD COC[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1ccc(Cl)cc1 787657996 IZYJULWGENTZOM-ZDUSSCGKSA-N 431.645 4.267 5 20 IIBD O=C(OCc1ccc(Cl)nc1C(F)(F)F)c1cc(Br)ncc1[N+](=O)[O-] 787761657 FONICIGVAXHOHE-UHFFFAOYSA-N 440.559 4.177 5 20 IIBD O=[N+]([O-])c1cc(Br)cnc1N1CCC(COc2ccc(Cl)nc2)CC1 788559896 KWIRWKSGWVXYMK-UHFFFAOYSA-N 427.686 4.096 5 20 IIBD Cn1ccc([C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c2ccc(Cl)cc2)n1 790994401 SSVWHRACOWJZTM-LJQANCHMSA-N 437.258 4.223 5 20 IIBD O=C(Cc1coc(-c2cccs2)n1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791168286 PBBDABLOFNOYGX-UHFFFAOYSA-N 448.298 4.201 5 20 IIBD CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cn1 792401106 IJRNRSUGQMXMHX-QFIPXVFZSA-N 437.500 4.196 5 20 IIBD O=C(Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)nc1)c1ccccc1 794208577 ZNJYPKZJRFMFDI-UHFFFAOYSA-N 445.479 4.485 5 20 IIBD Cc1nc(-c2ccc(CCNc3c([N+](=O)[O-])cc(CO)c(C)c3[N+](=O)[O-])cc2)cs1 796464973 VCXUQAALVCHKTH-UHFFFAOYSA-N 428.470 4.390 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H]1c1ccccc1 800376779 ZYIRIMKWUILTMB-PKOBYXMFSA-N 445.903 4.381 5 20 IIBD COc1c([N+](=O)[O-])cc(NC[C@@H](O)c2cc(C)cc(C)c2)c([N+](=O)[O-])c1Br 800884325 DWYSAOWMQRQJCL-CQSZACIVSA-N 440.250 4.036 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 801566933 GFNUJLTVTLKMHU-UHFFFAOYSA-N 442.653 4.234 5 20 IIBD Cc1c(C(=O)N2CCc3cc(Cl)cc(Br)c32)cc([N+](=O)[O-])cc1[N+](=O)[O-] 801712029 TVODNQQZUFHQJM-UHFFFAOYSA-N 440.637 4.430 5 20 IIBD O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 807788586 CPXKPYXFCYUJAK-IBGZPJMESA-N 437.418 4.067 5 20 IIBD COc1cc(/C=C2/C(=O)Nc3cc(Cl)c([N+](=O)[O-])cc32)cc(OC)c1OCC(F)F 809155372 VQCREURULIZJLW-QDEBKDIKSA-N 440.786 4.402 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(-c3cccc(OCc4cccnc4)c3)no2)cc2nsnc12 809228194 CIMNKJPUTVSTMF-UHFFFAOYSA-N 432.421 4.291 5 20 IIBD COC(=O)c1ccc(Cl)c(C(=O)OCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c1 811291594 HSJXEAUSFRTGJJ-UHFFFAOYSA-N 445.758 4.002 5 20 IIBD COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)OC[C@@H](C)[N+](=O)[O-])s1 813104069 JLOILBCFZIFSIM-CQSZACIVSA-N 427.482 4.313 5 20 IIBD COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Oc1cccc(Cl)c1[N+](=O)[O-] 815057203 LRSVOOOHMHGERP-UHFFFAOYSA-N 440.644 4.109 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)OCc2nnc(C(=O)Nc3ccc(C)cc3)s2)c1 844311740 DRVGZPWZNUUYLL-UHFFFAOYSA-N 444.494 4.086 5 20 IIBD O=C(OCC(=O)N1CCCCC1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 849187612 BNQWRMRPIAZGOX-UHFFFAOYSA-N 431.876 4.030 5 20 IIBD COc1ccc(CSCC(=O)OCc2ccc(F)cc2Br)cc1[N+](=O)[O-] 914800247 IDLXXOOGQUUVTI-UHFFFAOYSA-N 444.278 4.482 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] 915181566 WZZXKWCBAHHWOT-ZIAGYGMSSA-N 440.456 4.182 5 20 IIBD Cc1ccc(-c2nc(C(=O)O[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cs2)o1 915467667 PROYDBNIWHHCOG-SNVBAGLBSA-N 435.845 4.457 5 20 IIBD O=C(Cc1ccc(-n2cccn2)cc1)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 915811345 POMGABBJIFZRNJ-UHFFFAOYSA-N 442.431 4.181 5 20 IIBD CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])cc1Cl 917754780 HFJYHZRJWWZBSH-UHFFFAOYSA-N 443.884 4.107 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(Cn1nc(-c3cccnc3)n(Cc3ccco3)c1=S)CC2 1319056162 AEYLSBDVBDXVCV-UHFFFAOYSA-N 448.508 4.041 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 1319904238 RWURBFIDIUVUDX-KZULUSFZSA-N 434.290 4.159 5 20 IIBD O=C(c1ccc(Cl)cc1)N1CSC[C@@H]1c1nnc(COc2ccccc2[N+](=O)[O-])o1 1326152357 VBGAKSSRWUHSMN-OAHLLOKOSA-N 446.872 4.098 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nnc(CCCNC(=O)OC(C)(C)C)o1 1330053435 BXLBHSDSUZCYPA-NSHDSACASA-N 426.857 4.229 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)NC1(c2ccc(NC(=O)c3cocn3)cc2)CCC1 1787552152 WWAWMSWSFFAHLM-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD CC1=C(C(=O)NC2(c3ccc(NC(=O)Cc4ccc(C)c([N+](=O)[O-])c4)cc3)CCC2)CCO1 1790526373 QYQXNIJXHPKQNR-UHFFFAOYSA-N 449.507 4.274 5 20 IIBD C[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1)c1ccccn1 1791938270 ONBVDPCVVSRGEE-OAHLLOKOSA-N 434.452 4.134 5 20 IIBD CC(C)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CSc2ccccc2[N+](=O)[O-])[nH]n1 1816770015 QVLISKGDJFQPRT-INIZCTEOSA-N 445.545 4.148 5 20 IIBD C[C@@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(-c2ccccc2)cs1 9352330 RFQBNZKFBHPMHB-CYBMUJFWSA-N 443.506 4.381 5 20 IIBD COc1cc(CN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C2CC2)ccc1OC(F)F 15036372 KPMABTMBUQDXEI-UHFFFAOYSA-N 435.427 4.116 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(Cc2ccc(Cl)s2)CC1 15482276 MXMLCTHXBREVBK-CYBMUJFWSA-N 433.921 4.239 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(OC3CCCC3)cc2)cc1[N+](=O)[O-] 29024734 AXJBMGYLVDBASR-UHFFFAOYSA-N 439.497 4.448 5 20 IIBD CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)COc1ccccc1[N+](=O)[O-] 32526163 FIKQWNFFKMJGNN-UHFFFAOYSA-N 442.475 4.485 5 20 IIBD O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 33231200 DGVOWYVRQPBHLU-UHFFFAOYSA-N 434.481 4.243 5 20 IIBD C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)c2)C1 62922816 HKCSSOMKQJUWOM-QRWLVFNGSA-N 446.525 4.346 5 20 IIBD O=C(NCCCOc1cccc2cccnc12)c1cc([N+](=O)[O-])ccc1N1CCCCC1 111223507 TXHGQOKGRKPVQU-UHFFFAOYSA-N 434.496 4.332 5 20 IIBD COCCn1c(S/C=C\c2ccc([N+](=O)[O-])o2)nc2sc3c(c2c1=O)CCCC3 214729739 HDRZWZUXZQNCCZ-FLIBITNWSA-N 433.511 4.247 5 20 IIBD COc1ccc(-c2ccc(CNc3cccc(NC(=O)[C@H](C)OC)c3)o2)c([N+](=O)[O-])c1 237305363 DIOQKRDABBOALE-AWEZNQCLSA-N 425.441 4.449 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)cc1[N+](=O)[O-] 247999664 SACQPMVWORCSLF-HOTGVXAUSA-N 431.514 4.107 5 20 IIBD CS(=O)(=O)c1ccc(NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c([N+](=O)[O-])c1 301134984 YMJMPRFRXYYRQG-UHFFFAOYSA-N 443.456 4.002 5 20 IIBD Cc1ccc(NC(=O)NC[C@H]2CCCN(c3c(Br)cncc3[N+](=O)[O-])C2)cc1 301843674 RQKHBYIVZMAPSX-CQSZACIVSA-N 448.321 4.099 5 20 IIBD O=C(NCC1(c2ccccc2Br)CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 303860460 MJAMESJVGKSDFQ-UHFFFAOYSA-N 444.329 4.419 5 20 IIBD O=C(Nc1ccc(Cl)c(N2CCNC2=O)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 410149217 USVHGJCCGZCOSJ-UHFFFAOYSA-N 443.872 4.154 5 20 IIBD COc1ccc([C@@H](OC)[C@@H](C)NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 426221901 FUTAJOFEAAOZDS-XIKOKIGWSA-N 441.406 4.198 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2cccc(F)c2)C(C)(C)C)cc1OC 427889268 WAJXFHAPYFWJRW-FQEVSTJZSA-N 434.464 4.285 5 20 IIBD O=C(c1cc(NC[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)ccc1[N+](=O)[O-])N1CCCC1 428679480 INIOPQDQMYJYIW-LADGPHEKSA-N 441.503 4.156 5 20 IIBD COc1cc(-c2noc(CNC(C)(C)c3ccccc3[N+](=O)[O-])n2)ccc1OC(F)F 429263514 XUZBIHPNKZTJJF-UHFFFAOYSA-N 434.399 4.280 5 20 IIBD CN(C(=O)CN1CCC[C@H]1c1ccc(Br)c(F)c1)c1ccc([N+](=O)[O-])cc1 430241232 GIJLBTNMRFBPKL-SFHVURJKSA-N 436.281 4.296 5 20 IIBD CC(C)(NC(=O)c1nn(-c2ccc(F)cc2)cc1Br)c1ccc([N+](=O)[O-])cc1 430577837 XUOASJZLVHMTON-UHFFFAOYSA-N 447.264 4.347 5 20 IIBD COc1ccc(C(NC(=O)COc2cc(F)cc([N+](=O)[O-])c2)c2ccc(OC)cc2)cc1 433638967 LJWMYQQDXQVSQD-UHFFFAOYSA-N 440.427 4.036 5 20 IIBD CCOc1cc(CS(=O)(=O)CCCC(=O)Nc2c(C)cc(C)cc2C)ccc1[N+](=O)[O-] 434635642 DEGYLWFBUHLXKL-UHFFFAOYSA-N 448.541 4.252 5 20 IIBD O=C(NCCCOCCc1ccccc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436064676 WJRUAPCMQUFLCU-UHFFFAOYSA-N 436.458 4.339 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nnc(Cc2cccc(Cl)c2)s1 437163170 FSIJBOHNPKRWQC-UHFFFAOYSA-N 438.918 4.108 5 20 IIBD CC1CCN(C(=O)c2ccc(NCc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)cc2)CC1 437243514 BTORSVKEKJLUMS-UHFFFAOYSA-N 433.512 4.480 5 20 IIBD O=C(NCc1cc(Cl)c2c(c1)OCCCO2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437379972 KUERRBDBJXABTN-UHFFFAOYSA-N 431.876 4.284 5 20 IIBD CCOc1cc(NC(=O)N2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)c([N+](=O)[O-])cc1OCC 439346773 NSSGSILAKJWWOY-BVYOLEPJSA-N 435.521 4.186 5 20 IIBD O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC[C@@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)c1 443751390 BHUPBBAFGMVLRE-LJQANCHMSA-N 446.916 4.305 5 20 IIBD CCN(CC)[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)CC(C)C 444008412 IKELDVIQIIHCLR-QGZVFWFLSA-N 429.511 4.446 5 20 IIBD CCc1[nH]nc(C(=O)N(Cc2ccccc2)[C@@H]2CCOc3ccc(OC)cc32)c1[N+](=O)[O-] 444257030 ODSCXZFEOSNUCH-LJQANCHMSA-N 436.468 4.055 5 20 IIBD COCc1cccc2sc(NC(=O)c3sc(Br)cc3[N+](=O)[O-])nc12 445173538 OZNBNZMHCSWWCZ-UHFFFAOYSA-N 428.289 4.427 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(-c3csc(-c4cccc(C(F)(F)F)c4)n3)n2)n1C 445606930 CDNWIUUECWHFQE-UHFFFAOYSA-N 436.375 4.496 5 20 IIBD CC[C@H](NC(=O)Cc1noc(CCOc2ccc(Cl)cc2[N+](=O)[O-])n1)c1ccccc1 445697945 VSJGOYUWOAANKL-INIZCTEOSA-N 444.875 4.063 5 20 IIBD C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ncc(-c2ccccc2)o1 446304926 JVLISMAQEIECKU-GFCCVEGCSA-N 430.258 4.432 5 20 IIBD Cc1ccc(-c2cc(NC(=O)c3ccc(N[C@H](C)c4ccccn4)c([N+](=O)[O-])c3)n[nH]2)o1 447806260 MTXURNXRGOVCRF-CQSZACIVSA-N 432.440 4.707 5 20 IIBD Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)Cn1ccc([N+](=O)[O-])n1 460249262 CPKLEFMDNYKADV-UHFFFAOYSA-N 436.447 4.475 5 20 IIBD Cc1c(C(=O)N2CCN([C@@H](C)c3ccc(Br)cc3)CC2)cccc1[N+](=O)[O-] 460593939 CQJWEXXLUOKUBR-HNNXBMFYSA-N 432.318 4.185 5 20 IIBD CC(C)(c1ccccc1)c1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1C[C@H]1CCCO1 461133582 XBRJBBAOGPBVAE-JOCHJYFZSA-N 447.539 4.254 5 20 IIBD CC(=O)c1cc(N[C@H](C)c2ccc(Br)cc2OCCCO)ccc1[N+](=O)[O-] 461992410 IWLJZRYYOPGHQA-GFCCVEGCSA-N 437.290 4.494 5 20 IIBD O=C(NC[C@H]1CCCN(Cc2cccs2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 463568131 NWCOEJLDAWGRSL-CYBMUJFWSA-N 427.448 4.317 5 20 IIBD C[C@@H](C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)n1nnc(-c2ccccc2)n1 463731177 UJWKGRUVLQADEP-HNNXBMFYSA-N 430.424 4.240 5 20 IIBD COc1cc(CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)ccc1OCC(F)(F)F 463952284 RGKHHRWTMXDZIZ-UHFFFAOYSA-N 427.379 4.483 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N(CCc1ccccc1F)C1CCCC1 465168657 KAWUWPNWXDXIKQ-UHFFFAOYSA-N 428.460 4.062 5 20 IIBD C[C@H](NC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)c1cnn(C)c1 465966999 JPQKDAVVHAJVSH-LBPRGKRZSA-N 447.854 4.474 5 20 IIBD Cc1sc(S(=O)(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)cc1[N+](=O)[O-] 466964631 LSQUOKWGQXHJPI-MHZLTWQESA-N 442.584 4.347 5 20 IIBD O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1cnn(-c2ccccc2F)c1C(F)(F)F 468775273 BGOZAEDPTUZSLC-UHFFFAOYSA-N 445.332 4.739 5 20 IIBD Cc1cccc(C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)c1[N+](=O)[O-] 474544777 QRHRHGRUDRNNPM-UHFFFAOYSA-N 432.318 4.060 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)[C@H]1CCCC[C@@H]1N(C)C1CCN(C)CC1 475566132 RRFCWCLDRRYBQK-SFTDATJTSA-N 431.581 4.013 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NC[C@@H]1CC[C@H](O)C1 476546756 MGOBNAQFTIUCFS-DWEMGJEOSA-N 437.521 4.412 5 20 IIBD CC(=O)Nc1ccc(-c2csc(NC(=O)CCc3cccc([N+](=O)[O-])c3)n2)c(F)c1 476919848 BSCLHLNZZCPUHA-UHFFFAOYSA-N 428.445 4.387 5 20 IIBD CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)cc1 480716327 AYFLUTHIDUHPNP-CQSZACIVSA-N 431.514 4.114 5 20 IIBD CCOc1ccccc1NC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC 481338183 LOOVZXYJLXHKDH-UHFFFAOYSA-N 427.486 4.003 5 20 IIBD CCc1nc(CN2CCC(CN[C@@H](Cc3ccccc3[N+](=O)[O-])C3CC3)CC2)cs1 482905026 WHKOUPUPEDXCDU-NRFANRHFSA-N 428.602 4.437 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1)C(F)(F)F 485616121 QTBBCFARVXKDND-MRXNPFEDSA-N 428.432 4.409 5 20 IIBD O=C(NCC1(c2ccc(F)cc2F)CCCC1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 487187561 MWIXKUFGUAZHJM-UHFFFAOYSA-N 427.407 4.369 5 20 IIBD COc1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c(I)c1 487633484 LITODEUVEKRFFB-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCn2c(nnc2C2CCCC2)C1 489158330 REZJJORCACLDTM-UHFFFAOYSA-N 429.546 4.248 5 20 IIBD O=C(NC[C@@H]1CCO[C@@H]1c1ccccc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 489272553 BCQQPHVOHWLDCW-IZHWHUGBSA-N 434.442 4.467 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1cccc(N2CCCC2)c1 489937023 XZBIUNVBGXDXBF-INIZCTEOSA-N 429.542 4.425 5 20 IIBD COc1cc(CN2CCO[C@H](c3ccccc3Cl)C2)c([N+](=O)[O-])cc1OCC(F)F 491250203 PZGKRLZSUJAHAM-IBGZPJMESA-N 442.846 4.474 5 20 IIBD Cc1ccccc1CN(Cc1cccnc1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C 493444010 UXTDQEMXWHZRPS-UHFFFAOYSA-N 425.510 4.306 5 20 IIBD COc1cc(CN[C@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)F 493764807 KOMFKZVBRJIZKH-SFHVURJKSA-N 435.471 4.002 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 499296903 UKLGOYXXEZRKEQ-UHFFFAOYSA-N 439.449 4.142 5 20 IIBD CN1CCC(NC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)CC1 500155859 QDEKYUPLDUBFFO-UHFFFAOYSA-N 428.539 4.180 5 20 IIBD COC(=O)CCCNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 500731627 RLZPIEYHFPXGMR-SSZFMOIBSA-N 439.493 4.205 5 20 IIBD COc1cc(C(=O)N2CCCC[C@@H]2CCO)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 501780683 PBBHJJOEPYDORQ-MRXNPFEDSA-N 434.876 4.426 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CN1CCOC[C@H]1c1c(C)nn(-c2ccccc2F)c1C 502333756 CAKNHOVQNKPKJM-NRFANRHFSA-N 440.475 4.119 5 20 IIBD O=C(NCC1(C2CC2)CCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 503064196 STVCWEBCDHVWHM-UHFFFAOYSA-N 431.539 4.443 5 20 IIBD O=C(CN(Cc1cccc(-c2cccnc2)c1)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 503070341 CGTYXZCEHGPMHL-UHFFFAOYSA-N 428.492 4.211 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(OCc2ccc(F)cc2)cc1 503609935 OJYONNXFRYEJNJ-OAHLLOKOSA-N 437.427 4.129 5 20 IIBD Cc1c(NC(=O)[C@@H](NC(=O)c2ccccc2Br)C(C)C)cccc1[N+](=O)[O-] 506707587 PSRSCQDJVTWQTM-KRWDZBQOSA-N 434.290 4.059 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)cc1[N+](=O)[O-])c1ccccn1 506927072 GZKTWGOSCBAGEX-MOPGFXCFSA-N 445.523 4.419 5 20 IIBD Cc1ccc(C(=O)Nc2cc(Br)ccc2Sc2nncn2C)cc1[N+](=O)[O-] 507929338 STCHTMBKGCBOID-UHFFFAOYSA-N 448.302 4.198 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](c2c[nH]c3ccccc23)C(F)(F)F)c(Cl)c1 508111379 JKWFFOJFLBUXQL-OAHLLOKOSA-N 433.795 4.311 5 20 IIBD CC[C@@H](CC1CCCC1)C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 510206483 KBKOKPSUMQCCBR-AWEZNQCLSA-N 437.543 4.429 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C 510552444 QKDVNWAUBBLCTL-KKSFZXQISA-N 431.558 4.063 5 20 IIBD COc1ccc(C(=O)N(C)CCOc2ccc(OCc3ccccc3)cc2)cc1[N+](=O)[O-] 510713593 JCUVLSVIFUGFDE-UHFFFAOYSA-N 436.464 4.333 5 20 IIBD CN(C)[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1Cl 510835764 GCUFVMFRPABGTR-HNNXBMFYSA-N 428.823 4.274 5 20 IIBD Cc1c(Br)cc(C(=O)N2CC[C@H](n3ncc4ccccc43)C2)cc1[N+](=O)[O-] 510956756 CKXQHXRWSYUBCC-HNNXBMFYSA-N 429.274 4.103 5 20 IIBD CC(C)[C@@H](CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCOCC1 514935663 ZPKUBEJDQAWJLG-HXUWFJFHSA-N 447.919 4.127 5 20 IIBD Cc1ccc(-n2ncc(C(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)c2C(C)C)cc1 515000828 KCXSBFATHOUHIN-UHFFFAOYSA-N 433.512 4.175 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 515691245 XSZKNQUGUXJPDG-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD C[C@@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccc(F)c2ccccc12 517255934 CEZBREOKSDHNNB-CYBMUJFWSA-N 435.411 4.032 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCN(c2ccccc2Br)C1 517707689 QZFNAPXBYARSEX-LLVKDONJSA-N 439.697 4.411 5 20 IIBD COc1cc(C)ccc1Oc1ccc(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)cn1 518314905 XEOWLOJVAGFASL-UHFFFAOYSA-N 438.440 4.300 5 20 IIBD C[C@H]1CO[C@@H](c2ccccc2Cl)CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 518973712 GBRBPMOXIYYLLW-MEDUHNTESA-N 431.297 4.052 5 20 IIBD C[C@H]1CCCN(c2nnc(SCCOc3ccc([N+](=O)[O-])cc3)n2Cc2ccco2)C1 519106574 ODTJVUZIQOFOQQ-INIZCTEOSA-N 443.529 4.235 5 20 IIBD CCN(CC)CC1CCN(C(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 521185383 VKLXNZAPNCLBTL-KDURUIRLSA-N 430.593 4.271 5 20 IIBD O=C(NCCCNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1cccc(F)c1 521957326 BVOLPBXVVCYJET-UHFFFAOYSA-N 436.443 4.027 5 20 IIBD Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1NC(=O)CN1CCCCC1 522744944 XGIXVFYMGWZALB-UHFFFAOYSA-N 444.919 4.162 5 20 IIBD Cc1c(Cl)cccc1NC(=O)CCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 523974564 CFDJRQJWZOUNBF-UHFFFAOYSA-N 440.283 4.124 5 20 IIBD C[S@@](=O)Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)ccc1Cl 524256957 DZLNHKFHKNVFSB-XMMPIXPASA-N 431.695 4.142 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CSC[C@@H]2C(=O)Nc2cccc(C)c2C)c1 524624658 DJOBFPCJMQWJMU-GOSISDBHSA-N 431.539 4.087 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CN3CCCN(Cc4ccc(Cl)cc4)CC3)n2)cc1 532899989 PMWLJKVETYJVRA-UHFFFAOYSA-N 427.892 4.006 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccccc1NS(=O)(=O)c1cccs1 533609148 GKSYYNRBGSGWOG-AWEZNQCLSA-N 445.522 4.257 5 20 IIBD COc1cc(CN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C2CC2)ccc1O 534191685 TVVOYZQWYZEURK-UHFFFAOYSA-N 439.512 4.350 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)N1CC[C@H](N2CCCC2)C1 534271352 VXDVNVXIOXAAKQ-SFHVURJKSA-N 428.920 4.171 5 20 IIBD O=C(NC[C@@H](CO)Cc1ccco1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 535717232 FXZBEGOOCUGBHH-HNNXBMFYSA-N 443.887 4.034 5 20 IIBD O=C(Nc1cnc(-c2ccccc2)s1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 535794337 KMROANPRWHYCSA-CYBMUJFWSA-N 428.495 4.023 5 20 IIBD C[C@H](CC(=O)c1cccc(Br)c1)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 536359788 RAXJKHSBBGANEM-SNVBAGLBSA-N 431.246 4.081 5 20 IIBD CN1CC[C@@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 536493322 UGTGVRDTQDGWDJ-MGPUTAFESA-N 433.911 4.474 5 20 IIBD C[C@H](N[C@H](C)c1cccc(N2CCCC2=O)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 540408628 SWKAPYOSURRLAH-KGLIPLIRSA-N 430.892 4.053 5 20 IIBD COc1ccc(NC(=O)C[C@H](NC(=O)c2ccc(C)cc2)c2ccccc2)cc1[N+](=O)[O-] 542929141 VSILOKKQIZJDHL-FQEVSTJZSA-N 433.464 4.412 5 20 IIBD COc1ccc(Br)cc1-c1noc(-c2cc(O)nc3ccc([N+](=O)[O-])cc23)n1 544206136 DOXGNXJBJYUSKY-UHFFFAOYSA-N 443.213 4.337 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCCC[C@H]2c2nc3ccccc3n2C)c1 544623401 YXPNQXGCTSLXQM-SFHVURJKSA-N 428.514 4.014 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC(N(C)c2ccccc2)CC1 550179305 YOIFMODQBRGPCN-UHFFFAOYSA-N 432.318 4.407 5 20 IIBD CC(C)(C)Cc1cc(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)n(-c2ccccc2)n1 553780887 ASJBAYVHCDCIOW-UHFFFAOYSA-N 445.483 4.202 5 20 IIBD Cc1ccc(-c2nnc(N3CCC(n4ccc([N+](=O)[O-])n4)CC3)n2Cc2ccccc2)s1 558928489 OFEPVGMEMRQJFL-UHFFFAOYSA-N 449.540 4.310 5 20 IIBD Cc1cccc(-c2nnc(N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)n2CC(C)C)n1 559085583 KGPNVNBEVMMGQY-UHFFFAOYSA-N 436.516 4.261 5 20 IIBD O=C(Nc1cccc(CN2CCSCC2)c1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 559332506 VQKMQHKCEFAADD-UHFFFAOYSA-N 425.432 4.415 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(CCN(Cc4ccccc4)CC3)C2)c1 560677382 JNBZJOCTQRCEFM-UHFFFAOYSA-N 425.554 4.445 5 20 IIBD COCC1(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCOCC1 560970589 OGPCGEDWEMBELI-UHFFFAOYSA-N 434.876 4.214 5 20 IIBD Cn1cc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)c(-c2ccccc2)n1 561892715 HJZCBMWJQVYSEM-UHFFFAOYSA-N 440.257 4.399 5 20 IIBD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCCc2c[nH]c3cccc(Br)c23)n1 571092510 SKVFGVDPVHEVKM-NVXWUHKLSA-N 432.322 4.351 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(C)(c3ccc(Br)cc3)CC2)n1 572508105 RPLNYDUZRTYHRF-UHFFFAOYSA-N 434.290 4.097 5 20 IIBD C[C@H](CN[C@H](c1cccc([N+](=O)[O-])c1)c1nccn1C)Oc1ccccc1Br 579141487 RHZNNOAFCLBAFI-AUUYWEPGSA-N 445.317 4.237 5 20 IIBD O=C(NCc1noc(-c2cccs2)n1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 582018565 YUCXVNZVAFVKMH-UHFFFAOYSA-N 435.465 4.248 5 20 IIBD Cc1ccc2c(Cl)c(C(=O)N3CCN(C(=O)c4ccccc4[N+](=O)[O-])CC3)sc2c1 590530213 KPRCKIYTGTVCND-UHFFFAOYSA-N 443.912 4.370 5 20 IIBD CC(C)c1c(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cnn1-c1ccc(F)cc1 603761637 WPZMFWMVYWSUIH-UHFFFAOYSA-N 437.475 4.005 5 20 IIBD Cc1ccc(-n2nnc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)c(C)s3)c2C)cc1 603999036 QOMRTRNRUPITTK-UHFFFAOYSA-N 434.481 4.477 5 20 IIBD CCOc1ccc(NC(=O)CN(C)C[C@H]2CCCO[C@H]2c2ccccc2)c([N+](=O)[O-])c1 604521715 VUZSIFLISNUUKX-JPYJTQIMSA-N 427.501 4.032 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(Cc1ccccc1)Cc1cc[nH]n1 609158650 XUMIITMWRQCMNF-UHFFFAOYSA-N 447.417 4.368 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCc2[nH]c3c(Br)cccc3c2C1 609197657 YZOAUWGJYAISQV-UHFFFAOYSA-N 443.301 4.144 5 20 IIBD Cc1ccccc1[C@H]1C[C@H](C)N(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 610006167 ZWRWGHSWJRSUBN-KBPBESRZSA-N 439.331 4.232 5 20 IIBD CCC(CC)(C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Cl)cc1 610118080 WWUKEZMMVWZNNN-UHFFFAOYSA-N 443.931 4.291 5 20 IIBD CC(C)(C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)c1ccc2ccccc2c1 610238651 KGTWONXQBXXOAO-UHFFFAOYSA-N 437.521 4.072 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[C@H]1C(F)(F)F 611193737 UWDKRXBNFJSGFC-SWLSCSKDSA-N 448.463 4.349 5 20 IIBD C[C@@H](c1nc2ccccc2s1)N1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 611227115 LMZNESMXKTYGEI-LBPRGKRZSA-N 448.346 4.245 5 20 IIBD CCCC(=O)NC1CCN(Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)CC1 611261196 IAKHAMQUEKCPMR-UHFFFAOYSA-N 441.528 4.063 5 20 IIBD Nc1c(C(=O)N[C@@H](CC(F)(F)F)c2ccc(Br)cc2)cccc1[N+](=O)[O-] 612571064 PGPNHTIEEOCFDL-LBPRGKRZSA-N 432.196 4.363 5 20 IIBD O=[N+]([O-])c1ccc2nc(CN3CCc4[nH]c5ccc(Br)cc5c4C3)[nH]c2c1 618286807 HQQLEDQZVHCPIQ-UHFFFAOYSA-N 426.274 4.273 5 20 IIBD CN(Cc1ccccc1)[C@@H]1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 618584865 UQWQVBHDDGUHNS-CQSZACIVSA-N 430.377 4.355 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(COCc2ccccc2)cc1 619467619 SNOYFARIENOHIE-UHFFFAOYSA-N 428.466 4.121 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](Cc1ccccc1)c1sccc1C 619484822 GPZKPPXOYGIEMF-INIZCTEOSA-N 432.523 4.236 5 20 IIBD CC1CCN(c2ccc(C(=O)O[C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cn2)CC1 727203821 SEPQYNXZVVQKPR-HNNXBMFYSA-N 437.456 4.194 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(CC[C@H](O)c2ccccc2)c1 727363244 RVEUYBHBYDREIV-NRFANRHFSA-N 426.494 4.370 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1csc(-c2ccccc2C)n1 727562594 YTOWTBURTAMBBT-CYBMUJFWSA-N 441.465 4.219 5 20 IIBD CC(C)c1cccc(O[C@H](C)C(=O)OC[C@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])c1 730704039 LMBUOMVFRLVVSK-IEBWSBKVSA-N 440.496 4.334 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cc3c(nc2O)CCCC3)cc1)c1cccc([N+](=O)[O-])c1 731571249 KBPKXRHMVOWRNL-UHFFFAOYSA-N 433.420 4.046 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NC[C@H](O)c3ccc4ccccc4c3)cc2)c(C)c1[N+](=O)[O-] 731829153 FLHXDEVHICSRCX-QHCPKHFHSA-N 444.491 4.073 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NCc2ccccc2CN2CCCCCC2)c1[N+](=O)[O-] 732983097 XHOPXSKVERIRPN-UHFFFAOYSA-N 428.489 4.292 5 20 IIBD C[C@H](OC(=O)Cc1ccc(Cl)cc1Br)C(=O)Nc1ccccc1[N+](=O)[O-] 733606379 SCNKVEULPBAKMX-JTQLQIEISA-N 441.665 4.124 5 20 IIBD COc1ccc(-c2nc(C)c([C@H](C)NC(=O)COc3ccc([N+](=O)[O-])c(F)c3)s2)cc1 733771880 CGXMPNGVEHRCOL-LBPRGKRZSA-N 445.472 4.431 5 20 IIBD O=C(Cc1csc(NC(=O)c2cccs2)n1)OCc1cc([N+](=O)[O-])ccc1Cl 734782644 YXVOJXSGVYTCOY-UHFFFAOYSA-N 437.886 4.304 5 20 IIBD O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)c1occc1CS(=O)(=O)c1ccccc1 735800109 APOBLZNAKUFLDZ-UHFFFAOYSA-N 435.841 4.172 5 20 IIBD CCc1ocnc1C(=O)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 740275502 CAPCODDNYMCCQT-GOSISDBHSA-N 429.816 4.335 5 20 IIBD Cc1cccc2c(CC(=O)N(Cc3nnc(-c4cccc([N+](=O)[O-])c4)o3)C(C)C)c[nH]c12 741173029 NTFSPSWVRUJLMX-UHFFFAOYSA-N 433.468 4.414 5 20 IIBD COc1c([N+](=O)[O-])cc(NC[C@@H](C)Oc2ccc(F)cc2)c([N+](=O)[O-])c1Br 742420535 BQOLBODKXWLYPV-SECBINFHSA-N 444.213 4.293 5 20 IIBD COc1c([N+](=O)[O-])cc(NC[C@H](C)Oc2ccccc2C)c([N+](=O)[O-])c1Br 742422233 WLBWCJZPUIFVDG-NSHDSACASA-N 440.250 4.462 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F 743758933 DBMLWFQLAFIUPR-UXHZXRBQSA-N 448.319 4.193 5 20 IIBD Cc1c(Br)ccc(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1N 745451610 FDHODZPOFBHXHC-JTQLQIEISA-N 447.245 4.216 5 20 IIBD Cc1c(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[nH]c2c1C(=O)CC(C)(C)C2 746154993 ZGXLGHIFZQSBEX-GFCCVEGCSA-N 438.440 4.354 5 20 IIBD COc1sc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1Br 746520950 APLBEPZVWBLKBZ-WDZFZDKYSA-N 443.662 4.425 5 20 IIBD COc1ccc(NC(=O)COC(=O)/C=C(\C)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 748389255 IZDNNVWSVVINGR-FMIVXFBMSA-N 438.358 4.207 5 20 IIBD CCNC(=O)c1cccc(OC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 749516850 MIEIDYWPBFOLIQ-UHFFFAOYSA-N 428.388 4.061 5 20 IIBD CCCN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCN(C(=O)c2ccccc2)CC1 751236076 NWLKWSXWOYQSJS-UHFFFAOYSA-N 429.904 4.405 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 751361819 SXAFKWDFMJMAOP-KRWDZBQOSA-N 445.324 4.036 5 20 IIBD O=C(Nc1ccc(CCN2CCCC2)cc1)c1cc(F)cc([N+](=O)[O-])c1Br 754969279 UVCHBKSFARZMTD-UHFFFAOYSA-N 436.281 4.387 5 20 IIBD C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 754993688 JTLWZSUQKRBNOT-DOMZBBRYSA-N 436.281 4.062 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ccc(Br)cc1[N+](=O)[O-] 755911725 XPUMXZMHSRJYTM-UHFFFAOYSA-N 426.248 4.305 5 20 IIBD C[C@@H](OC(=O)CCC(=O)c1cc(Cl)sc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 756617385 OCODANJESIMIQO-SECBINFHSA-N 445.280 4.496 5 20 IIBD O=C(CCCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(Br)cc1 759487679 SUCUJVGGJBQNFA-UHFFFAOYSA-N 437.202 4.085 5 20 IIBD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(Br)s1 761302311 RLYNHRQRBFXJKI-MRVPVSSYSA-N 431.239 4.050 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3c[nH]c4ccc([N+](=O)[O-])cc34)n2)c(Br)c1 762263653 XUDIOYYONMCPKB-UHFFFAOYSA-N 444.201 4.388 5 20 IIBD CCOc1cc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c([N+](=O)[O-])cc1OCC 762422766 MCVFSMZSXPUHOO-UHFFFAOYSA-N 435.408 4.356 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2nc(C)cc2C)cc1 764685957 DELSICNUWSOXCS-UHFFFAOYSA-N 426.498 4.388 5 20 IIBD COc1ccc(NC(=O)CN(Cc2ccccc2)C[C@@H](O)c2cccc(C)c2)c([N+](=O)[O-])c1 767909839 AXWLVYMVYNNTRG-XMMPIXPASA-N 449.507 4.086 5 20 IIBD CN(Cc1c(Br)cccc1[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 768863160 KEKIQMMMGRVZLA-UHFFFAOYSA-N 428.327 4.189 5 20 IIBD COc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)ccc1Br 769630958 PNJKJNVHGCGSLA-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD Cc1cc(=O)c(C(=O)O[C@H](C)CCSc2ccccc2)nn1-c1ccccc1[N+](=O)[O-] 769952131 QMUBYRQYLVQNOJ-MRXNPFEDSA-N 439.493 4.177 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C=C3CCSCC3)cc2)cc1[N+](=O)[O-] 772558104 OJLFBNKWUVUNPI-UHFFFAOYSA-N 447.538 4.096 5 20 IIBD O=C(COC(=O)c1ccc(F)c(Cl)c1F)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 773543276 CAXHMRZJLGZZIS-UHFFFAOYSA-N 438.692 4.341 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCc1nc(-c2cc3ccccc3o2)cs1 773902551 UYMKHDGZZVUEDO-UHFFFAOYSA-N 433.449 4.131 5 20 IIBD COc1ccc(Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])cc1N1CCOC1=O 774667665 PVWKMDUQPMKWRT-UHFFFAOYSA-N 448.304 4.353 5 20 IIBD Cc1nc(C(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(-c2ccccc2)s1 778855697 PUFMZPKLNOWLFP-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)[C@@H]1CCCN(C2CCC2)C1 781402321 PRFMEGKUWCTJOG-VXGBXAGGSA-N 444.757 4.394 5 20 IIBD C[C@@H](OC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1cccc2ccccc12 781734240 ASMBYEBQAYRGGF-CQSZACIVSA-N 437.408 4.159 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC[C@H]1c1cccc2c1OCCO2 782169028 ISWAXIAAHAMPSG-AWEZNQCLSA-N 433.258 4.106 5 20 IIBD Cc1cnc([C@H](C)OC(=O)c2ccc(C(=O)O[C@H](C)c3ncc(C)o3)c([N+](=O)[O-])c2)o1 785312509 YSOFNVHLNSIPDX-QWHCGFSZSA-N 429.385 4.024 5 20 IIBD C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 786929470 XQTIVKZMRCMJOE-LLVKDONJSA-N 426.351 4.029 5 20 IIBD C[C@H](Nc1cc(NC(=O)CN2CCCC[C@H]2C)ccc1F)c1ccc(N)c([N+](=O)[O-])c1 788713165 UWZFQTXSHOXXFG-CABCVRRESA-N 429.496 4.302 5 20 IIBD C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C1 791320612 CALYPZCELJZXQH-GJZGRUSLSA-N 442.491 4.170 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(CN(CC)C(=O)C(F)(F)F)c1 791512246 HKMITOIGKBVSFA-UHFFFAOYSA-N 439.390 4.157 5 20 IIBD COc1c(C(=O)O[C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)cccc1[N+](=O)[O-] 796311060 ZYFOHQZFEOKVTM-MRXNPFEDSA-N 434.448 4.378 5 20 IIBD CSc1ccccc1[C@@H](C)OC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O 800023049 WARGWUCNVUXYHG-CQSZACIVSA-N 425.466 4.089 5 20 IIBD Cc1ccc(C2=NO[C@@H](CNC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)C2)cc1C 801399632 XKQANFRLGJCRNP-LJQANCHMSA-N 425.488 4.221 5 20 IIBD CN(CCc1nc(-c2ccccc2)no1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 806367898 SLGJCGRGBLJYPD-UHFFFAOYSA-N 446.261 4.114 5 20 IIBD COc1ccccc1[C@H]1CC[C@H](C)CN1C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 807310270 DDXFVHMFFCPCPJ-SUMWQHHRSA-N 431.876 4.195 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)CCSc1cccc(Cl)c1 808700676 JTKVCACMLVMTJX-GFCCVEGCSA-N 438.889 4.309 5 20 IIBD COc1c(C(=O)O[C@H](C)c2ccc(S[C@H]3CCCCNC3=O)cc2)cccc1[N+](=O)[O-] 809049661 ZSYLGMHNSJNZNU-KUHUBIRLSA-N 444.509 4.282 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCC3(CC2)OCc2ccccc23)c(Cl)cc1Cl 809825232 CBEQKJQCZGXRFQ-UHFFFAOYSA-N 443.308 4.112 5 20 IIBD NC(=O)c1ccc(COC(=O)c2sc3ccccc3c2Br)c([N+](=O)[O-])c1 811386242 RJDZFNMDGIUOPZ-UHFFFAOYSA-N 435.255 4.028 5 20 IIBD CCOc1ccc([C@H]2CCCN2C(=O)COC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc1 815406298 CFZJPDUASJPSRH-LJQANCHMSA-N 446.887 4.476 5 20 IIBD CC(C)(C)OC(=O)N1CC=C(CCNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 816547158 MAEKZBOMLMAKQU-UHFFFAOYSA-N 443.422 4.301 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1Cc1ccccc1Br 819346406 ACQQLCJFZLPGSQ-ZDUSSCGKSA-N 436.281 4.316 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1cc(-c2cccs2)on1 822053897 FJXJBLSLZJBIMM-UHFFFAOYSA-N 439.453 4.412 5 20 IIBD C[C@H](OC(=O)[C@@H](C)OCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 915438961 HQJYTIIFENQFFJ-QWHCGFSZSA-N 440.374 4.089 5 20 IIBD O=[N+]([O-])c1nn(CN2CCc3sccc3[C@@H]2c2cccs2)cc1Br 917614368 SPCNEFQZQJBEGC-CQSZACIVSA-N 425.333 4.282 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 917943931 NNVXCNZZYXVIDY-UHFFFAOYSA-N 441.831 4.056 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)Cc1cccc2cccnc12)c1cccc([N+](=O)[O-])c1 918632194 DQJIALRUVJADHM-NRFANRHFSA-N 447.491 4.314 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)c1cncc2ccccc12)c1cccc([N+](=O)[O-])c1 918635118 ULPPOWXYLUGWDB-IBGZPJMESA-N 433.464 4.385 5 20 IIBD C[C@@H](OC(=O)C=C(C1CC1)C1CC1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 919556869 PFVKWDBFIORKGB-GFCCVEGCSA-N 427.482 4.335 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1 919687117 VMTJUANWIBJHRJ-UBIUBJKMSA-N 443.887 4.290 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCc2ccc(-n3ccnc3)c(F)c2)CC1 920228557 IAMAJSRLHDTAOJ-UHFFFAOYSA-N 437.475 4.086 5 20 IIBD COc1cccc([C@@H]2CCCN2c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])c1 1317771681 SIKHUWURCWODKV-HNNXBMFYSA-N 430.404 4.238 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(Cc1ccccc1)c1ccc(C)cc1 1318382101 KGIKARVPLLXUKT-UHFFFAOYSA-N 434.448 4.337 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@@H](C)c1ncc(-c2ccc(Cl)c(Cl)c2)o1 1319414105 XLCUERHSNRKAOD-VIFPVBQESA-N 425.228 4.366 5 20 IIBD O=C([C@@H](c1ccc(Br)cc1)N1CCCC1)N1Cc2ccc([N+](=O)[O-])cc2C1 1319444372 MROXQSIHOZFCQM-LJQANCHMSA-N 430.302 4.037 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC1CCN(c2cccc(F)c2)CC1 1327378892 MAVPQEJNXXRTQK-UHFFFAOYSA-N 436.281 4.204 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1 1337928338 IKXWXNSRWXHOOK-UHFFFAOYSA-N 442.497 4.103 5 20 IIBD O=C(NCc1ccc(Br)cc1F)c1cc([N+](=O)[O-])ccc1Br 1339118159 JLUDZWKGBYUHKR-UHFFFAOYSA-N 432.043 4.189 5 20 IIBD CCn1nc(-c2nnc(-c3cc([N+](=O)[O-])ccc3N3CCCCC3)o2)c2ccccc2c1=O 1345603055 UEVPTIYQGXXTOQ-UHFFFAOYSA-N 446.467 4.032 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)c3ccc(F)nc3)CCC2)cc1 1785793654 RKGZHAOBCMRTAR-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD Cc1ccnc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccc([N+](=O)[O-])o4)cc3)CCC2)c1 1786204383 BNMDAVYUVQWKSN-VQHVLOKHSA-N 446.463 4.352 5 20 IIBD Cc1c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(C)CC3)n[nH]2)cc(Cl)cc1[N+](=O)[O-] 1816663112 GMIKMAURDAOOOI-MRXNPFEDSA-N 445.907 4.386 5 20 IIBD CC1(C)CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])cc3F)[nH]n2)C1 1822476176 ZLYMGELXPOEUIR-SFHVURJKSA-N 443.479 4.199 5 20 IIBD Cc1ccc(C)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)c1 1823615238 FAOQIBKRHIQZLR-FQEVSTJZSA-N 439.512 4.352 5 20 IIBD CCC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccc([N+](=O)[O-])o3)CC2)CCC1 1824277870 YVTUAKKFUHQRCS-FHVRUZERSA-N 443.544 4.401 5 20 IIBD C[C@@H]1C[C@]1(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830617971 HTEUZDUISVCIKC-OFSQETHSSA-N 431.508 4.013 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccccc1Oc1ccccc1 1847169766 KTXVVCOZEOZKJJ-OALUTQOASA-N 447.447 4.109 5 20 IIBD CCCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nnc1-c1ccncc1 9667036 IFKFPUXYYFECJT-UHFFFAOYSA-N 432.893 4.043 5 20 IIBD CCNc1ccc(C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3F)cs2)cc1[N+](=O)[O-] 10965994 UYCBCIUWSPYCNY-UHFFFAOYSA-N 443.460 4.500 5 20 IIBD Cc1ccc(-c2nc(C)sc2CC(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 11217276 SXIKHUGIOQFGBU-AWEZNQCLSA-N 439.493 4.448 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2sc(-c3cccs3)nc2C)c([N+](=O)[O-])c1 18463265 YFFNCIXIKSCPOE-NSHDSACASA-N 447.494 4.281 5 20 IIBD C[C@@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)Nc1c(F)cccc1F 18591127 FSXJJUVYGKSBPN-GFCCVEGCSA-N 425.460 4.484 5 20 IIBD O=C(COc1ccc(Cl)c2ccccc12)OCc1cc([N+](=O)[O-])cc2c1OCOC2 19486511 RDPYIGKHVBCZLR-UHFFFAOYSA-N 429.812 4.390 5 20 IIBD CCOC(=O)c1cnn(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1C(F)(F)F 27360578 KGOLNTHWFQILHO-UHFFFAOYSA-N 448.357 4.228 5 20 IIBD CCOC(=O)c1cc(C(=O)N(Cc2ccc(OC)cc2)[C@H](C)C2CC2)cc([N+](=O)[O-])c1 58642866 KCQXMQQJUQFPNI-OAHLLOKOSA-N 426.469 4.221 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 63446775 IGICWAKHZCWOAS-UHFFFAOYSA-N 427.392 4.435 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc1C 195593893 UFHBUQKKJIXNGR-UHFFFAOYSA-N 432.527 4.222 5 20 IIBD CCN1CCN([C@@H](C)CNCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 236973514 AOMZESWHIDDHIC-KRWDZBQOSA-N 432.952 4.156 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@H]1c1nc2ccccc2s1 251567818 SWEDFQDNIZRYFY-GUYCJALGSA-N 426.498 4.377 5 20 IIBD O=C(NCc1ccco1)c1cccc(CNc2ccc([N+](=O)[O-])cc2Br)c1 301353559 JPIVPTGEVOCRAI-UHFFFAOYSA-N 430.258 4.492 5 20 IIBD Cc1cc(NC(=O)[C@H](C)Oc2ccccc2Br)n(-c2ccc([N+](=O)[O-])cc2)n1 303470868 QNQUYGHTXVTZEE-ZDUSSCGKSA-N 445.273 4.257 5 20 IIBD O=C([C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1CCC(CCc2ccccc2)CC1 303489073 LLZLTNDBFNFGNC-LJQANCHMSA-N 441.553 4.132 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)c([N+](=O)[O-])c1 303491926 SIXGOGDEHXHKMJ-AWEZNQCLSA-N 440.475 4.430 5 20 IIBD COc1c(C(=O)Nc2cc(I)ccc2Cl)cccc1[N+](=O)[O-] 319125260 GNLBOMIBGUSCOO-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)Nc3ccc(O)cc3)CC2)cc1[N+](=O)[O-] 427257262 QJQNYFXITXSZKA-UHFFFAOYSA-N 425.485 4.089 5 20 IIBD O=C([C@H]1CC=CC[C@@H]1c1nc2ccccc2s1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 427822228 YPMUJBYQHGBACF-IRXDYDNUSA-N 437.525 4.315 5 20 IIBD C[C@H](CN(C)C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C(=O)O 431660564 XHBIHDPNERXHBT-DSQDWWTGSA-N 439.493 4.314 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1cccc2c1OCCCO2 431885213 YWGMEHANCWDUHV-UHFFFAOYSA-N 442.415 4.183 5 20 IIBD O=C(Nc1ccc(C(=O)Nc2nccs2)cc1)c1cc(Br)cc([N+](=O)[O-])c1 432412926 JJXVEYWRHMNWLO-UHFFFAOYSA-N 447.270 4.318 5 20 IIBD CN(C)[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1cccs1 435833445 DPLOSHFMCFINCF-KRWDZBQOSA-N 427.476 4.054 5 20 IIBD CCN(CC)[C@H]1CCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 437200076 GPXIFPYEUWXRQE-INIZCTEOSA-N 444.919 4.057 5 20 IIBD O=C(NCC(F)(F)F)c1ccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 437400008 GRGNKSPZPCVLKI-UHFFFAOYSA-N 436.390 4.083 5 20 IIBD Cc1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)n(-c2cccc(Br)c2)n1 439109760 XBVXBUXLYGLOMK-UHFFFAOYSA-N 429.274 4.341 5 20 IIBD COc1ccc(Br)c(/C=C2\CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)c1 439145305 WYECESHTFMFECL-DHZHZOJOSA-N 428.242 4.020 5 20 IIBD CCN(Cc1cccc(F)c1)S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 439248312 PRUQPRTYWZLKGO-UHFFFAOYSA-N 431.283 4.016 5 20 IIBD O=C(c1ccc(=O)n(-c2ccc(F)cc2)n1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 440602126 XHTVIZFYFGBFNC-UHFFFAOYSA-N 444.422 4.127 5 20 IIBD CO[C@@H]1CCN(c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])[C@@H](C)C1 440649693 LVBPSKAJGOZGHN-DLBZAZTESA-N 433.530 4.016 5 20 IIBD Cc1c(CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)sc2ccc(Cl)cc12 441149122 VGOQLOVDAMRDRJ-UHFFFAOYSA-N 427.873 4.282 5 20 IIBD CC(C)c1ncc(CN(C)C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cn1 441413135 YCWZOZDQSBFPMF-UHFFFAOYSA-N 449.298 4.273 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CSCc3nc(O)c4c5c(sc4n3)CCC5)n2)s1 445476649 GNLBFDAWWMOFGC-UHFFFAOYSA-N 447.523 4.339 5 20 IIBD COc1cc(Cc2noc(-c3cc(Br)ccc3C)n2)c([N+](=O)[O-])c(OC)c1 445821500 XBASWLZEYPMBFP-UHFFFAOYSA-N 434.246 4.324 5 20 IIBD Cc1ccc(CNC(=O)c2cccc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3C)c2)cc1 446496971 VYRNWIPADLDMFJ-UHFFFAOYSA-N 432.480 4.463 5 20 IIBD Cc1cc(=O)c(C(=O)N(Cc2cccc(F)c2)C(C)(C)C)nn1-c1ccccc1[N+](=O)[O-] 460468884 JMCUJENNLRVTFP-UHFFFAOYSA-N 438.459 4.029 5 20 IIBD Cc1cccnc1-c1nnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1C[C@H]1CCCCO1 461840500 VARDXJGKMJPGPK-OAQYLSRUSA-N 448.527 4.295 5 20 IIBD C[C@H](Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)c1ccc(NC(=O)NC2CC2)cc1 462488269 HWQJNORRCHQVBE-INIZCTEOSA-N 447.495 5.026 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1cccc(OC)c1)C[C@@H]1CCCO1 462494046 XAXBUVUHZDRNMO-OFNKIYASSA-N 426.513 4.380 5 20 IIBD COc1ccc([C@H](C)CCNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)cc1 462881543 PJVIUSWHMIKZPB-CQSZACIVSA-N 428.876 4.408 5 20 IIBD NC(=O)c1ccc(N[C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)c([N+](=O)[O-])c1 463075911 GKKLEKMRYKGYBB-NRFANRHFSA-N 439.855 4.320 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(COCc3ccco3)c2)c2ncccc12 463523830 AUOHRSGALQHWJJ-UHFFFAOYSA-N 439.449 4.254 5 20 IIBD CC[C@@H]1Oc2cc([C@H](C)NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)ccc2NC1=O 465360252 VXXSBRMPZNQPBZ-JCGVRSQUSA-N 429.498 4.062 5 20 IIBD CCCOc1cc(NC(=O)N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c([N+](=O)[O-])cc1OCCC 466141357 NCYXZZGIPVOTIY-XMCHAPAWSA-N 435.521 4.498 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 466159508 URBSURZKMBWJAN-GOSISDBHSA-N 442.274 4.366 5 20 IIBD Cc1ccc(I)c(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1 466266244 BTVFFUKDDZBSLY-UHFFFAOYSA-N 430.629 4.091 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N(CCC(F)(F)F)CC(F)(F)F 468515069 KSCXOWBVHZMTEG-UHFFFAOYSA-N 430.348 4.498 5 20 IIBD Cc1ccc(C(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)cc1[N+](=O)[O-] 468741986 FJUQOACTHADSCH-UHFFFAOYSA-N 432.274 4.154 5 20 IIBD COc1cccc(OC)c1Oc1ccc(CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cn1 470137206 JHYQHOSFYFMISK-UHFFFAOYSA-N 442.403 4.260 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)NCC1(c2cc(Cl)ccc2OC)CCOCC1 470825687 FZNWJZIWCPIIRQ-UHFFFAOYSA-N 448.903 4.134 5 20 IIBD CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@@H]1C[C@H](F)CN1Cc1nccs1 475080565 DKQFGXSSBPQHKB-HOTGVXAUSA-N 430.505 4.356 5 20 IIBD CN(C)C(=O)Nc1ccc(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1 478557789 INNMNCNUQHNLSS-UHFFFAOYSA-N 447.495 4.230 5 20 IIBD Cc1c(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)nnn1-c1cccc([N+](=O)[O-])c1 478683483 ZKMMXTXODJJUGN-UHFFFAOYSA-N 425.754 4.408 5 20 IIBD COC(=O)c1ccc(C(F)(F)F)nc1SCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 478710559 APTQXJFJLKEYQW-UHFFFAOYSA-N 449.794 4.179 5 20 IIBD Cc1cc(C)c(NC(=O)COc2ccc(I)cc2[N+](=O)[O-])c(C)c1 478907921 NOZGHVUTKLFYEY-UHFFFAOYSA-N 440.237 4.142 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccccc1C(F)(F)F 480733475 CFCFFJZTMFLDEV-UHFFFAOYSA-N 428.432 4.325 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1 481827905 ATXLHCZSILJDAY-UHFFFAOYSA-N 441.506 4.106 5 20 IIBD CC(C)N(C)Cc1ccccc1CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 484671200 URRLEERMKVDLHJ-UHFFFAOYSA-N 427.548 4.311 5 20 IIBD O=C(CN1CCC(Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1)Nc1ccccc1 485386219 CWPYAPCPYODPMV-UHFFFAOYSA-N 449.486 4.311 5 20 IIBD CCO[C@@H](C)c1noc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)n1 485503128 JSNUQNJDNOGMKH-AWEZNQCLSA-N 442.497 4.499 5 20 IIBD COC(=O)c1cc(NC(=O)CCc2cc(Br)ccc2F)c(C)c([N+](=O)[O-])c1 485975045 PBCAOKLYLAUXNT-UHFFFAOYSA-N 439.237 4.163 5 20 IIBD Cc1ccc([C@H](C)NC(=O)CCNC(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] 488113218 TYOPXBACSMTNIR-ZDUSSCGKSA-N 449.305 4.055 5 20 IIBD COCCN(C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)[C@@H]1CCO[C@H]1C 488852087 JPMDYORELADHNB-MGPUTAFESA-N 447.919 4.126 5 20 IIBD O=C(N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 489056818 WKPXKXUBVUVJNP-OAHLLOKOSA-N 449.792 4.234 5 20 IIBD Cc1ccc([C@H](C)NC(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)cc1[N+](=O)[O-] 489197983 YOADGSIAMYPBJF-ZDUSSCGKSA-N 429.864 4.210 5 20 IIBD O=C(NCCCOCC1CCOCC1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 489594915 IHSGDLAFTYFQSL-UHFFFAOYSA-N 430.526 4.309 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 489809368 QRMARIAGVMSUAN-UHFFFAOYSA-N 433.512 4.331 5 20 IIBD CCOC(=O)CC1CCN(C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)CC1 490163288 CXFNKPDOSKSREA-UHFFFAOYSA-N 449.554 4.316 5 20 IIBD COc1ccc(Cn2ccc(NC(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)n2)cc1 490450455 CKNYRRUIOUFSQS-UHFFFAOYSA-N 445.273 4.171 5 20 IIBD CC[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[C@@H](O)C(F)(F)F 498364612 PLKWDCSMYHQZSS-DZGCQCFKSA-N 437.212 4.409 5 20 IIBD CC(C)(C)c1ccc(C(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)cc1[N+](=O)[O-] 499682121 CFMZFQDLWYKGKU-UHFFFAOYSA-N 441.553 4.263 5 20 IIBD NC(=O)c1ccc(CN2CCC(F)(c3ccccc3OC(F)(F)F)CC2)c([N+](=O)[O-])c1 500123139 JWOWSKRGMCGDBI-UHFFFAOYSA-N 441.381 4.053 5 20 IIBD CC(C)CCSc1ccc(C(=O)N(C)c2cccc(S(C)(=O)=O)c2)cc1[N+](=O)[O-] 500340241 IKAKNVJDAUXPIP-UHFFFAOYSA-N 436.555 4.413 5 20 IIBD CSc1ccc(NC(=O)Cn2cc(Nc3ccc([N+](=O)[O-])c4cnccc34)cn2)cc1 501248270 WLVNIQUSBPWOFQ-UHFFFAOYSA-N 434.481 4.444 5 20 IIBD COc1cc(CSc2n[nH]c(Cc3cccs3)n2)c([N+](=O)[O-])cc1OCC(F)F 502871891 QFTLMPHHRVFMHG-UHFFFAOYSA-N 442.469 4.310 5 20 IIBD CC(C)N1CCN(c2cccc(NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)c2)CC1 502879440 HRVFRAQHHZKVBJ-QGZVFWFLSA-N 428.558 4.245 5 20 IIBD Cc1c(C(=O)N[C@H](C)Cc2ccc(Cl)cc2Cl)nnn1-c1cccc([N+](=O)[O-])c1 504869476 MRWOIXQSXSUGEY-LLVKDONJSA-N 434.283 4.152 5 20 IIBD Cc1nc2ccc(NC(=O)c3ccc(NCc4ccccc4Cl)c([N+](=O)[O-])c3)cn2n1 507172603 FYOHLORBEVRXBG-UHFFFAOYSA-N 436.859 4.464 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@H]3CCN([C@H](C)c4ccccc4)C3)cc2)c(C)c1[N+](=O)[O-] 507615196 GOALMCJOEGNEBT-JPYJTQIMSA-N 447.539 4.022 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3c(Cl)cccc3n2)c(Br)c1 508127130 HRWQUMRBRRBQLS-UHFFFAOYSA-N 442.678 4.360 5 20 IIBD COc1ccc(C(=O)COc2c([N+](=O)[O-])cnc3ccc(Br)cc23)c(OC)c1 508159788 HHYOAVVRVSNYGU-UHFFFAOYSA-N 447.241 4.184 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cn(C)nc3C(F)(F)F)cc2[N+](=O)[O-])C1 508331106 HFPVCZIBLOULFV-VXGBXAGGSA-N 425.411 4.082 5 20 IIBD COc1cc(F)c(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)cc1F 510242431 ONGOCGHGDSUKMO-UHFFFAOYSA-N 448.163 4.047 5 20 IIBD CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2ccc([N+](=O)[O-])cc2I)C1 511465316 WHVIHSYSHAKRJQ-YVEFUNNKSA-N 428.270 4.240 5 20 IIBD C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 513205781 GBGJXTGMXQRKTD-JTQLQIEISA-N 431.297 4.138 5 20 IIBD Cn1ccnc1[C@@H](NCCCC(=O)Nc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 513654364 IDUGQNYTTFZWKO-FQEVSTJZSA-N 427.892 4.080 5 20 IIBD Cn1ccnc1[C@@H](NCC1(c2ccc3c(c2)OCCO3)CCCC1)c1ccc([N+](=O)[O-])cc1 513702646 LGCWYXUOXDGJKT-QHCPKHFHSA-N 448.523 4.291 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCC(F)(F)CC1 514743866 GETPULFMSLWXDW-UHFFFAOYSA-N 441.456 4.394 5 20 IIBD COc1cc(CNCCC(=O)Nc2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])cc1OC 515079441 YFALQDKODMIJLY-UHFFFAOYSA-N 428.272 4.037 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3ccc(OCc4nccn4C)cc3)cc2[N+](=O)[O-])CC1 515580674 JALRRWMQQQYTNN-UHFFFAOYSA-N 449.511 4.396 5 20 IIBD Cc1oc(C(C)C)cc1C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 516859174 AKUJGJCDENFBBM-UHFFFAOYSA-N 435.483 4.161 5 20 IIBD Cc1occc1C(=O)Nc1cc(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)ccc1F 517596217 OXIQFZGCWKMRHX-UHFFFAOYSA-N 442.403 4.088 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 518312990 AOSUIQFXCXXCSW-HNNXBMFYSA-N 426.498 4.466 5 20 IIBD C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 518823461 LHZUIDAGAYKDFM-QWHCGFSZSA-N 431.876 4.241 5 20 IIBD COc1ccc(N(C)C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1OC 519121420 APJYBTIHLIKDBD-HZPDHXFCSA-N 427.501 4.371 5 20 IIBD COc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)ccc1NC(=O)c1cccnc1 522741906 QJLBUVJPNKJFIM-UHFFFAOYSA-N 440.843 4.085 5 20 IIBD COCCOC1CCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 524206655 HHPVIGQKMUOHLR-OAQYLSRUSA-N 447.919 4.055 5 20 IIBD COc1ccccc1CN(Cc1cccs1)C(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1 532259082 UVCABPNHDNHHSQ-UHFFFAOYSA-N 426.450 4.206 5 20 IIBD CCC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1 534786036 MGLGLUFHKPEODL-CQSZACIVSA-N 445.497 4.201 5 20 IIBD Cc1cc(COc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cc2Br)on1 536208944 INGDALZHHDRNRZ-UHFFFAOYSA-N 448.229 4.191 5 20 IIBD Cn1ccnc1[C@@H]1CCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 536593861 LXVZNCYZIVMFHF-OXQOHEQNSA-N 439.903 4.151 5 20 IIBD CCC[C@@H](NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 540170604 LAXIEEPJZOPBHI-JOCHJYFZSA-N 431.558 4.020 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 543925196 LZKJAORXCYCSDI-IBGZPJMESA-N 446.385 4.013 5 20 IIBD COc1ccc(Cl)cc1N1C[C@H](c2nc(-c3ccc(C)c([N+](=O)[O-])c3)no2)CC1=O 545576737 RMBTVAAOMFUBKM-CYBMUJFWSA-N 428.832 4.136 5 20 IIBD COCCOCc1noc(-c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)n1 545774594 KIIOVXVAFSULOJ-UHFFFAOYSA-N 435.820 4.262 5 20 IIBD COc1cc(Cc2noc(-c3nn(-c4ccccc4F)c4c3CCC4)n2)ccc1[N+](=O)[O-] 545785792 VIRROBZBBSOUED-UHFFFAOYSA-N 435.415 4.058 5 20 IIBD Cc1nc(COc2ccc(/C=C\c3nc(Cc4ccc([N+](=O)[O-])cn4)no3)cc2)cs1 546489563 WIBPXFXLRYRMSJ-WTKPLQERSA-N 435.465 4.478 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(-c2nc(-c3cccnc3N3CCCCC3)no2)c1 547035305 ZJUCPWNUNODYCD-UHFFFAOYSA-N 430.262 4.460 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1 551722998 CBJCYGALWOUUJD-GFCCVEGCSA-N 435.427 4.310 5 20 IIBD CCOC1(C)CCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 552568859 ZMWYCEQECUVONQ-UHFFFAOYSA-N 448.523 4.408 5 20 IIBD C[C@H](C(=O)Nc1cc(Br)cnc1OCC(F)(F)F)c1cccc([N+](=O)[O-])c1 555737621 XWDFAIJUFIRQHY-VIFPVBQESA-N 448.195 4.436 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 556484430 CAHPHHPVBFNGBR-KRWDZBQOSA-N 429.192 4.346 5 20 IIBD Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2ccccc2)c1 557949136 XGLYTVUYZXIWSF-UHFFFAOYSA-N 432.465 4.189 5 20 IIBD O=C(Nc1cccc2nc(O)[nH]c12)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 560609759 RSFMIRBNDOCULG-UHFFFAOYSA-N 449.389 4.051 5 20 IIBD C[C@H](C(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1cccc([N+](=O)[O-])c1 566655894 LBMQGZNAWJDXTP-INIZCTEOSA-N 435.446 4.452 5 20 IIBD COc1cc(Cc2noc(CCCOc3ccccc3Cl)n2)c([N+](=O)[O-])c(OC)c1 575124323 NIIAKLZPCJHIPG-UHFFFAOYSA-N 433.848 4.251 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 577168505 CAZNOORHTUIOCD-INIZCTEOSA-N 429.542 4.303 5 20 IIBD O=[N+]([O-])c1ccc(C(F)(F)F)c(-c2nc(-c3ccc(N4CCOCC4)c(F)c3)no2)c1 582077618 ROIVZKLIHBDDAY-UHFFFAOYSA-N 438.337 4.306 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(N2c3ccccc3C[C@H]2C)CC1 604445935 QQNOTXJPYWNUIT-CVEARBPZSA-N 443.931 4.458 5 20 IIBD COc1ccc(CC(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] 609009663 CLUBJYFMJAVBGT-UHFFFAOYSA-N 435.267 4.336 5 20 IIBD Cc1nn(C)c(C(=O)N(Cc2ccccc2OC(F)(F)F)C2CCCC2)c1[N+](=O)[O-] 609175560 LEHHCOIMXKNVFU-UHFFFAOYSA-N 426.395 4.120 5 20 IIBD C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(F)c(Br)c1 609389094 NHHLFTJMQTZORJ-MRVPVSSYSA-N 437.674 4.189 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N(C)Cc2nc3ccccc3n2C)cc1[N+](=O)[O-])c1ccccn1 609493661 YKJVNVKAZMYRMB-MRXNPFEDSA-N 444.495 4.322 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc3c(cnn3C(C)C)c2)ccc1[N+](=O)[O-] 609763522 AKILTOLCFDBYIM-OAQYLSRUSA-N 435.484 4.077 5 20 IIBD CCOC(=O)c1cc(CC)sc1NC(=O)c1ccc([N+](=O)[O-])cc1Br 610037093 VIYBSKPHUKRTML-UHFFFAOYSA-N 427.276 4.410 5 20 IIBD Cc1cc(I)ccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1F 618965234 WUAUQEZVZCUFQJ-UHFFFAOYSA-N 446.241 4.378 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc2c(C(F)(F)F)cccc2s1 619506831 RRIPLWUMDCSFFK-UHFFFAOYSA-N 433.389 4.033 5 20 IIBD C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 727219208 QOUJMHGGJAWXMG-JTQLQIEISA-N 438.223 4.462 5 20 IIBD CCOc1ccc(Br)cc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 728122404 MHJYHGZIZBAXHG-UHFFFAOYSA-N 449.305 4.110 5 20 IIBD C[C@@H](c1ccccc1)c1ccc(OC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)cc1 728852599 OJAGUOLMNRZSLR-INIZCTEOSA-N 432.432 4.078 5 20 IIBD O=C(Cn1ccc2ccn(Cc3ccccc3)c2c1=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 732194215 FKIGWWFCKFFQHO-UHFFFAOYSA-N 436.855 4.052 5 20 IIBD C[C@@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H](C)N1C(=O)OC(C)(C)C 733116398 GHZYPOLOQILMCK-ZIAGYGMSSA-N 446.529 4.188 5 20 IIBD COC(=O)[C@H](OC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(Cl)c1 733825682 XZXWOYHRHNLBOT-MGPLVRAMSA-N 428.224 4.126 5 20 IIBD COc1cc(C(=O)OC[C@@H]2CCC(=O)N(C)[C@@H]2c2cccc(Cl)c2)ccc1[N+](=O)[O-] 740605140 QBFPAGXUWMBZLN-MGPUTAFESA-N 432.860 4.023 5 20 IIBD COc1cccc(Oc2ncccc2CNc2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])c1 741244617 IZQQSGOUGXMDMB-UHFFFAOYSA-N 440.412 4.112 5 20 IIBD CCOc1cc(N2CCC(OC(=O)C[C@H]3OCCc4ccccc43)CC2)ccc1[N+](=O)[O-] 744204497 OEHKIMQLAHNTRS-JOCHJYFZSA-N 440.496 4.210 5 20 IIBD C[C@H](OC(=O)Cc1cc(F)ccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 745545655 VNRFCEOOADMTPS-VIFPVBQESA-N 432.301 4.005 5 20 IIBD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])ccc21 748737719 DXODTEWLXSMYQJ-UHFFFAOYSA-N 428.876 4.324 5 20 IIBD Cc1ccc(NC(=O)COC(=O)c2cccc(Cl)c2[N+](=O)[O-])c(Br)c1 750539414 CZWZXBOTRYMWMA-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD CSc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 750967375 ZSLJVSCGBMGEGU-SNVBAGLBSA-N 439.287 4.263 5 20 IIBD COc1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc2OC)cc1 752377819 DVBVHIVWOWABSQ-OAQYLSRUSA-N 437.408 4.040 5 20 IIBD CCOC(=O)Nc1ccc2c(COC(=O)c3cc(F)cc(C)c3[N+](=O)[O-])cc(=O)oc2c1 752556512 BGEPYQYKLSZTEG-UHFFFAOYSA-N 444.371 4.074 5 20 IIBD Cc1ccc(NC(=O)C(C)C)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl 753066164 QGKAPWWEYWPLQG-UHFFFAOYSA-N 425.894 4.260 5 20 IIBD O=C(OCC(=O)N(Cc1ccco1)c1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCCC1 753289995 JXVGYYPSZWBSBK-UHFFFAOYSA-N 449.463 4.178 5 20 IIBD O=C(CCN[C@H](c1cccc(Cl)c1)c1ccccn1)Nc1cc([N+](=O)[O-])ccc1F 753929532 JGSVKJIPZYSIBV-OAQYLSRUSA-N 428.851 4.490 5 20 IIBD Cc1c(C(=O)N[C@H]2CCOc3c2ccc(Cl)c3Cl)nnn1-c1cccc([N+](=O)[O-])c1 754478402 GVWGUOMNHTZODY-HNNXBMFYSA-N 448.266 4.044 5 20 IIBD CCc1c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cnn1CCC(C)C 755596769 QUUUYWZRXKBSFB-CYBMUJFWSA-N 436.896 4.237 5 20 IIBD C[C@@H](CSc1ccc(F)cc1)C(=O)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 756241004 AHUQONSQBJYDOF-LBPRGKRZSA-N 440.880 4.089 5 20 IIBD CCc1ccc([C@@H](NC(=O)COC(=O)c2ccc(F)cc2[N+](=O)[O-])c2cccs2)cc1 758112872 BXUGREJDZYTGAZ-OAQYLSRUSA-N 442.468 4.420 5 20 IIBD CN1C(=O)C[C@@H](COC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]1c1cccc(Cl)c1 759367202 XSMLRDNGOYHGMJ-OYHNWAKOSA-N 441.871 4.035 5 20 IIBD Cc1c(C(=O)N(Cc2ccccc2)CC2(O)CCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 762547973 YUTZDXMHCTXMCU-UHFFFAOYSA-N 427.457 4.067 5 20 IIBD O=C(Nc1cccc(CC[C@H](O)c2ccccc2)c1)c1cc([N+](=O)[O-])cc2c1OCCO2 762996761 QQGDKRBCLMLGDY-NRFANRHFSA-N 434.448 4.285 5 20 IIBD COc1cc(CNC[C@@](C)(O)c2ccccc2Cl)c([N+](=O)[O-])cc1OCC(F)(F)F 764981979 XVRPFBPXBGFZTF-GOSISDBHSA-N 448.825 4.195 5 20 IIBD COc1cc(CN2Cc3ccc(Br)cc3C2)c([N+](=O)[O-])cc1OC(F)F 765053319 FJQPDSNYLUTSTB-UHFFFAOYSA-N 429.217 4.483 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 765217569 VESSYHGARQPMAB-PBHICJAKSA-N 437.562 4.472 5 20 IIBD CNC(=O)c1cc(Oc2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)ccn1 766717875 HLQWEDQQHPUOGN-UHFFFAOYSA-N 427.800 4.014 5 20 IIBD COc1cc(CN2CCC(N(C)CC(F)F)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 769513639 CKIHSGFPKPUANG-UHFFFAOYSA-N 449.498 4.344 5 20 IIBD CN(CCC1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1)C(=O)OC(C)(C)C 769947190 UGOFLEJWIXERTG-UHFFFAOYSA-N 445.520 4.114 5 20 IIBD C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1Cc1c(Br)cccc1[N+](=O)[O-] 770378819 IJKVTVVRNHPQIC-QWHCGFSZSA-N 428.327 4.235 5 20 IIBD COc1ccc(NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1-n1cnnn1 770588817 NWFPVBSRZZUIJD-UHFFFAOYSA-N 436.403 4.123 5 20 IIBD CN(C)c1ccc(N(Cc2ccc[nH]2)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1 775784694 GNXGADASNYPQBA-UHFFFAOYSA-N 430.468 4.022 5 20 IIBD C[C@H](C(=O)Nc1cccc(NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1)n1cccn1 776832344 BFXVOULGDQNQRW-QGZVFWFLSA-N 434.500 4.072 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N(Cc1ccccc1)[C@H](CO)C1CC1 779072083 JPKPSDVKMGZPHI-GOSISDBHSA-N 434.290 4.162 5 20 IIBD O=C(Nc1ccccc1SCC(F)(F)F)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781595824 YRLCMJYJFOYGTJ-HNNXBMFYSA-N 425.388 4.381 5 20 IIBD C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781624138 IJDWZIXQBINBQJ-LLVKDONJSA-N 426.256 4.490 5 20 IIBD Cc1c(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cccc1OCC(F)(F)F 781628055 HWCWFIGMCOSFOB-UHFFFAOYSA-N 427.335 4.324 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)C[C@@H]21 784218568 FABYPNSPKBFGJQ-VHDGCEQUSA-N 427.448 4.326 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(-c2cccnc2)nc2ccccc12 785418999 FKZBMGDPTRTCMW-UHFFFAOYSA-N 442.431 4.309 5 20 IIBD O=[N+]([O-])c1cc(Br)c(F)cc1OC[C@H](O)c1cccc(Br)c1 790139655 NOMOMFGHQMQVNL-ZDUSSCGKSA-N 435.043 4.371 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(CC(F)(F)F)cc2)c(C)c1[N+](=O)[O-] 790393823 KAQINMONCICBLD-UHFFFAOYSA-N 433.364 4.025 5 20 IIBD C[C@@H](OC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]1c1cccs1 790745949 PBBWSYUVNAQXQI-ABAIWWIYSA-N 440.880 4.287 5 20 IIBD C[C@]12CCN(C(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])C[C@H]1C2(Cl)Cl 791190531 CRBBQDXUKFRTGN-OCCSQVGLSA-N 427.206 4.192 5 20 IIBD Cc1cccc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c1C 792476342 UMXJUBBNNHWAFN-ZDUSSCGKSA-N 435.274 4.467 5 20 IIBD C[C@@H](C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc2c(c1)OCO2 796757598 YHNFSBADTPKNGR-CQSZACIVSA-N 434.404 4.285 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NC[C@@H](Cc1ccccc1)c1ccccc1 800614510 XHAHAASXQUQUDZ-LJQANCHMSA-N 435.455 4.124 5 20 IIBD CC[C@H](C)[C@H](C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccccc1 800734503 QTDKVOSPZRSPFS-NYHFZMIOSA-N 442.468 4.068 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)O[C@H]2CCc3cccnc32)cc1[N+](=O)[O-] 802221740 ZRWLDYJSORDWBL-NRFANRHFSA-N 431.448 4.131 5 20 IIBD Cc1ccc(-c2nc(N)sc2CC(=O)OCc2c(F)cc([N+](=O)[O-])cc2F)cc1C 803245282 WXLGFBUAMFAVOI-UHFFFAOYSA-N 433.436 4.481 5 20 IIBD CCOC(=O)COC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 804860137 INKBYNFOUWIQFX-PTNGSMBKSA-N 426.450 4.242 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Oc1cccc2cc(Br)cnc12 805124865 ZKPVNTXZWXIQAW-UHFFFAOYSA-N 443.662 4.327 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@](c2nc(-c3ccc([N+](=O)[O-])s3)no2)(C(F)(F)F)C1 809469508 ZNPIHTKKRKHRGS-OAHLLOKOSA-N 434.396 4.147 5 20 IIBD CCCCOc1cccc(NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c1 810393977 MARQLVIOJJKWQB-UHFFFAOYSA-N 436.262 4.113 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1c(F)cc(C(F)(F)F)cc1F 811417566 YZZJNQZYSHENRD-QMMMGPOBSA-N 448.300 4.084 5 20 IIBD CC(C)(C)OC(=O)N1CC=C(CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 813199055 XDRUSLFISYMLCE-UHFFFAOYSA-N 430.288 4.199 5 20 IIBD CC[C@H](C(=O)N1CCC(NC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1)c1ccccc1 816912509 ALKSOXQSRAMDIW-KRWDZBQOSA-N 429.904 4.163 5 20 IIBD C[C@@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 827005625 GRWALGYZQLMXMD-GDBMZVCRSA-N 442.566 4.076 5 20 IIBD O=[N+]([O-])c1ccc(CNc2cc(N3CCOCC3)ccc2Br)cc1Cl 864014052 FIVSEEOMRXHANZ-UHFFFAOYSA-N 426.698 4.459 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccccc1NC(=O)c1cccs1 875257306 RCRPQTIXVSMPQW-UHFFFAOYSA-N 439.449 4.013 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccc(OC2CCCC2)cc1 914952225 IJNDJBIHHFTWRC-CQSZACIVSA-N 428.441 4.109 5 20 IIBD CC(C)c1c(C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cnn1-c1ccccc1 919068631 QVDHERSTWHVPLN-UHFFFAOYSA-N 433.424 4.311 5 20 IIBD O=C(Cn1cnc2c(oc3ccccc32)c1=O)Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-] 920330383 YDKCFVCDPRWYPX-UHFFFAOYSA-N 441.399 4.324 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 920705364 NCFOKJKHHUPTCH-VIFPVBQESA-N 446.765 4.460 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1cccc(CO)c1 921224433 AAKHWVWXCRSOLI-FQEVSTJZSA-N 440.839 4.277 5 20 IIBD COc1ccc(NC(=O)COC(=O)C2(c3ccc(C(C)C)cc3)CCC2)c([N+](=O)[O-])c1 1115929328 IHYALNWLPMMYLC-UHFFFAOYSA-N 426.469 4.330 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N1CC[C@@H]2OCCC[C@H]2C1 1116344246 QKAFSRXZDSBGJX-NDXORKPFSA-N 429.904 4.429 5 20 IIBD C[C@@]1(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccc([N+](=O)[O-])o4)cc3)CCC2)CC1(F)F 1786208197 MIZUPLKNJCNDRY-JCOOBLOPSA-N 445.422 4.380 5 20 IIBD O=C(/C=C/c1cccc(O)c1)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1 1791334093 HAYWKTRFSRUDAE-LFYBBSHMSA-N 446.463 4.090 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCC2(CCCN(C(=O)CC3CCCC3)C2)CC1 1808930232 WCKNQEYXGVUREV-SOFGYWHQSA-N 429.517 4.013 5 20 IIBD Cc1c(C(=O)N[C@@H]2CCc3nc(NC(=O)CC4CC4)sc3C2)cc(Cl)cc1[N+](=O)[O-] 1814264824 KEJBPNKXIRAWDU-CYBMUJFWSA-N 448.932 4.039 5 20 IIBD CC(C)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])n[nH]1 1823503424 LSMQCSXEPBGMKP-SGWGQVFISA-N 439.516 4.460 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](F)c2ccccc2)CC1 1824854536 FADHKCSGNWGIRT-RXVVDRJESA-N 443.475 4.132 5 20 IIBD CC/C=C(\C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc([N+](=O)[O-])ccc2F)CC1 1824947598 DDFGUXLNCJKEKH-QEQOENRNSA-N 445.535 4.252 5 20 IIBD CCN(c1ccc(NC(=O)COC(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc1)C(C)C 9553195 JPWQCXORPHVWSA-UHFFFAOYSA-N 431.514 4.347 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 10647219 MROZZCIMPVDVMP-UHFFFAOYSA-N 436.264 4.428 5 20 IIBD CCOc1ccc(N2C(=O)c3ccc(C(=O)OCc4ccccc4[N+](=O)[O-])cc3C2=O)cc1 11172472 IIDUCUSTACSBEP-UHFFFAOYSA-N 446.415 4.151 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CSc1nnc(N2CCCCC2)n1Cc1ccco1 11484267 KLHSFVXOVZMIJU-UHFFFAOYSA-N 429.502 4.119 5 20 IIBD Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)[nH]n2)cc1 11494271 ASMCBHMALPFNSF-GFCCVEGCSA-N 428.832 4.131 5 20 IIBD NC(=O)c1ccc(CSc2nnc(Cc3ccccc3)n2-c2ccccc2)c([N+](=O)[O-])c1 12106046 JVTLMLRORFKOKU-UHFFFAOYSA-N 445.504 4.158 5 20 IIBD O=C(/C=C/c1ccc(Cl)cc1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 14826949 ZCKLZVKWNPHLDP-XCVCLJGOSA-N 449.897 4.189 5 20 IIBD CCOc1c(Cl)cc(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC 22157659 ZKBKKFQPJSPOFF-LBPRGKRZSA-N 436.848 4.148 5 20 IIBD CN1c2ccccc2C(=O)N[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 24098590 GEKBENPBECBSAC-GOSISDBHSA-N 428.242 4.496 5 20 IIBD COC(=O)C[C@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1cccs1 25083877 YEORBTMSPBQXSL-KRWDZBQOSA-N 425.466 4.434 5 20 IIBD COc1cc(CN(C)CC(=O)Nc2c(C)cc(C)cc2C)c([N+](=O)[O-])cc1OC(F)F 27355078 JOFWASHCEOQUNO-UHFFFAOYSA-N 437.443 4.201 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 57350555 WNJZDOLPFDNQHW-UHFFFAOYSA-N 446.312 4.184 5 20 IIBD CC(C)(CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc2c(c1)OCCO2 58631154 HFFNEBRFMFZBAZ-UHFFFAOYSA-N 437.399 4.067 5 20 IIBD CC(C)Oc1nnc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)s1 60529712 DDGHUUOBPBCSTH-MRVPVSSYSA-N 436.437 4.372 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 72042810 IKLVYYQFHGVRME-UHFFFAOYSA-N 429.782 4.286 5 20 IIBD Cc1ccc(-c2csc(NC(=O)CCn3cnc4c(C)cccc4c3=O)n2)cc1[N+](=O)[O-] 248331018 GIXYEAKGAAZBLE-UHFFFAOYSA-N 449.492 4.074 5 20 IIBD CCOc1cc(N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn34)C2)ccc1[N+](=O)[O-] 301503112 FTXWSUQABATDIO-ZDUSSCGKSA-N 435.406 4.439 5 20 IIBD O=C(Nc1nnc(Cc2cccc(F)c2)s1)c1cc(Br)cc([N+](=O)[O-])c1 432674539 BKNUMOHPSBMQRX-UHFFFAOYSA-N 437.250 4.191 5 20 IIBD O=C(N1CCN(c2ccccc2[N+](=O)[O-])CC1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2 433481664 CFVHTBJANCTVNX-XBLGPDGASA-N 437.462 4.392 5 20 IIBD O=C(c1cc(Br)c(O)c(Br)c1)N1CCc2ccc([N+](=O)[O-])cc21 436638563 FRWHWVYQJJCECB-UHFFFAOYSA-N 442.063 4.028 5 20 IIBD Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2O)cccc1C(=O)N1CCc2sccc2C1 436859028 JQARHPDZUDZZMZ-UHFFFAOYSA-N 437.477 4.121 5 20 IIBD O=C(Nc1ccc(Cl)c(C(=O)NCc2ccccc2F)c1)c1ccc(O)c([N+](=O)[O-])c1 436959723 NSBAXXGJUGXVQB-UHFFFAOYSA-N 443.818 4.275 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(SC)cc1 443900379 NHTNMCKJEGBTHT-OAHLLOKOSA-N 442.415 4.370 5 20 IIBD CC(C)N1[C@H]2CC[C@H]1CN(C(=O)c1cc(F)cc3c(=O)c4cccc(F)c4[nH]c13)CC2 444124207 OJKGRUOCSIZESF-HOTGVXAUSA-N 425.479 4.047 5 20 IIBD C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 444212362 KPRDMLHUQRMQPD-BZNIZROVSA-N 431.297 4.052 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1cccc(OCc2ccccc2)c1 444712429 YOJPIPWWRYVPCF-KRWDZBQOSA-N 435.480 4.472 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccnn1Cc1ccc(Br)cc1 445731099 FJNAYCIEHWPXLS-UHFFFAOYSA-N 429.274 4.173 5 20 IIBD COc1cc(Cc2noc(Cn3ccc4ccc(Cl)cc43)n2)c([N+](=O)[O-])c(OC)c1 445821884 ZCBHXMDXTLVSMF-UHFFFAOYSA-N 428.832 4.242 5 20 IIBD COc1nc(C)c(Br)cc1-c1noc(Cc2ccc([N+](=O)[O-])cc2Cl)n1 446006699 FGLAVIWXMYHSAD-UHFFFAOYSA-N 439.653 4.364 5 20 IIBD O=C(Nc1ccnn1Cc1ccc(F)cc1)c1sc(Br)cc1[N+](=O)[O-] 446077026 DGYOWOITDHXUJC-UHFFFAOYSA-N 425.239 4.055 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1 447633347 YJGZHOIBUOSXDI-UHFFFAOYSA-N 443.456 4.024 5 20 IIBD COc1cc(C(=O)Nc2sccc2C(=O)c2ccc(C)cc2)c([N+](=O)[O-])cc1OC 448456102 XIMJDWGPQFSPES-UHFFFAOYSA-N 426.450 4.465 5 20 IIBD C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1OCCCO 461110485 WMDXAIFCWZJXIX-LBPRGKRZSA-N 438.278 4.001 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H](c1ccccc1)c1nccs1 462296399 OAIRFWIWWQJQLX-CQSZACIVSA-N 444.321 4.426 5 20 IIBD Cc1ccc(N2CCC(N=c3c([N+](=O)[O-])c[nH]c4ccc(Br)cc34)CC2)nc1 462850713 JDCLGDZTDRJJNW-UHFFFAOYSA-N 442.317 4.112 5 20 IIBD CCCC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1 463779533 UJEOAUROSKVLPJ-UHFFFAOYSA-N 448.888 4.336 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 464707941 HFWQAFAUQYIEKU-UHFFFAOYSA-N 428.448 4.168 5 20 IIBD CCSc1cccc(Br)c1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 464713507 SYWVRKQSYSEJDQ-UHFFFAOYSA-N 425.260 4.450 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ncc(Cc2ccccc2Cl)s1 465025012 VJZKSRTZPLAOLP-UHFFFAOYSA-N 445.884 4.248 5 20 IIBD CCc1[nH]nc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)c1C 465424240 BJFJVYWYIGHWKN-UHFFFAOYSA-N 430.848 4.895 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc(Br)c1F 470083488 VRGWMYKWLDODSW-UHFFFAOYSA-N 431.601 4.189 5 20 IIBD COc1cc(OCC(=O)Nc2cc(Br)ccc2NC(C)C)ccc1[N+](=O)[O-] 470093504 YGXCTWCGBSHOIB-UHFFFAOYSA-N 438.278 4.204 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)CCc1cnc2ccccc2c1)c1ccccc1[N+](=O)[O-] 470726544 JJPXTJIHXHTRKQ-OAQYLSRUSA-N 435.480 4.275 5 20 IIBD C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCCn2cc([N+](=O)[O-])cn2)nnc1-c1ccco1 470842250 RXXCYKWOITZXCH-QBYUYEEZSA-N 428.518 4.432 5 20 IIBD COCCC1(CNc2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccccc2OC)CCC1 471732144 SSHUQJWQOJQRNO-UHFFFAOYSA-N 449.529 4.023 5 20 IIBD O=C(c1ccc([N+](=O)[O-])[nH]1)N(Cc1cccc(Br)c1)CC1(O)CCCCC1 472984689 POOMSPOZFRXMBJ-UHFFFAOYSA-N 436.306 4.023 5 20 IIBD C[C@H](SCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1nc(-c2ccccc2)no1 476165609 UQYAZGHUMRVECQ-ZDUSSCGKSA-N 426.454 4.437 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(OCCN2CCCCC2)cc1 477938986 LJJPKXQGMUVYHL-UHFFFAOYSA-N 426.517 4.166 5 20 IIBD C[C@@H]1CCCCN1CCC1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 478641577 RPMQSWWDFRPQEF-LJQANCHMSA-N 428.577 4.312 5 20 IIBD CCOc1ccc(Oc2cc(CNC(=O)NCc3cccc([N+](=O)[O-])c3C)ccn2)cc1 478921631 CVEQGILXOMUBMW-UHFFFAOYSA-N 436.468 4.489 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 479540007 IRQISRXLRJOEAI-HNNXBMFYSA-N 425.514 4.415 5 20 IIBD Cc1c(CNC(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] 479724939 XQLDPTLVQMHBRD-OXQOHEQNSA-N 434.899 4.188 5 20 IIBD CCc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)cnn1C(CC)CC 480247106 MHSTWBGXKTUHMJ-UHFFFAOYSA-N 445.339 4.278 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@](O)(C(F)(F)F)C1 483176658 YIHVWXVZCPDNJF-GOSISDBHSA-N 425.363 4.308 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccc(COCC(F)(F)F)cc1 484009563 UGZGCXGMIKIDMQ-UHFFFAOYSA-N 445.825 4.369 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(=O)N(C)c2ccccc2)C1 484150756 YRRDYPSLYYCHQJ-KRWDZBQOSA-N 441.553 4.468 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)NC1(c2cccc(OC(F)(F)F)c2)CCOCC1 486885521 VCHQZYAFPXIANG-UHFFFAOYSA-N 438.402 4.248 5 20 IIBD O=C(Nc1cccc(COCCc2ccccc2)c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 488334094 NSYQSYKYVIDOGD-UHFFFAOYSA-N 449.511 4.420 5 20 IIBD Cc1cc(S(=O)(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)ccc1[N+](=O)[O-] 490046405 VPSVTJSHIYVUDL-SCLBCKFNSA-N 444.431 4.073 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H](C)c3cnn(C)c3C)c([N+](=O)[O-])c2)c(C)c1 493008237 JSTRXNNXWFZYAK-HNNXBMFYSA-N 443.529 4.227 5 20 IIBD CCN(CC1CCN(c2ccccn2)CC1)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 493279534 IRBBWEOYSYFTGS-SFHVURJKSA-N 425.533 4.307 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CN(C)Cc1c(Cl)cccc1[N+](=O)[O-] 493649517 ADZUUFPQIKYVAP-UHFFFAOYSA-N 426.698 4.390 5 20 IIBD CCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)[C@@H](c1cccnc1)c1ccc(F)c(F)c1 496536450 PNOXDJGYZXAMBR-OAQYLSRUSA-N 437.406 4.396 5 20 IIBD O=C(Nc1ccc(CN2CCOCC2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 499215027 UQCUUMRGDZVIIO-UHFFFAOYSA-N 443.809 4.352 5 20 IIBD Cn1cc(Br)c(=O)c(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c1 499390812 LEQNZLYQPWZOFR-UHFFFAOYSA-N 444.241 4.101 5 20 IIBD COc1cc(CCNC(=O)c2cccc(Br)c2Cl)c([N+](=O)[O-])cc1OC 502938178 GEIYLHFGLDIKAO-UHFFFAOYSA-N 443.681 4.000 5 20 IIBD O=C(Nc1cnn(Cc2ccncc2)c1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 503913370 QLDDGDGIQYCDLP-UHFFFAOYSA-N 428.452 4.099 5 20 IIBD Cn1ccc2c(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)cccc2c1=O 504294650 CALFMHTZZAXAAX-UHFFFAOYSA-N 431.398 4.064 5 20 IIBD CCCOc1cc(NC(=O)N[C@@H]2CCCc3c2cnn3C)c([N+](=O)[O-])cc1OCCC 504904946 ZNQPZFMSSLCOGS-OAHLLOKOSA-N 431.493 4.105 5 20 IIBD O=C(Cc1ccc(Br)c(F)c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 507524361 CATUBAHPRSMQJU-QGZVFWFLSA-N 425.279 4.313 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccccc2)N2CCc3sccc3C2)c1 508757242 BYZSEFNQNYBFFV-NRFANRHFSA-N 437.521 4.194 5 20 IIBD Cc1ccc(Sc2ccc(CNc3cccc(NC(=O)C(N)=O)c3)cc2[N+](=O)[O-])cc1 509416127 MROVVLLKQILSMN-UHFFFAOYSA-N 436.493 4.090 5 20 IIBD CC[C@@H](C(=O)OC)N(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 509982151 KCYFENJZNIJUHZ-NRFANRHFSA-N 428.488 4.140 5 20 IIBD COc1cc(CN2CCC[C@@H](c3nccs3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F 513027493 MGXOGDFXLKAXRI-GFCCVEGCSA-N 431.436 4.381 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)Nc2ccccc2Oc2cccc(F)c2)cc1[N+](=O)[O-] 513304597 BUADGGOPJNMVMB-UHFFFAOYSA-N 430.413 4.182 5 20 IIBD CCc1nn(C)c(Nc2ccc(Oc3ccccc3S(=O)(=O)CC)cc2)c1[N+](=O)[O-] 515473819 DLBXSGNFXAKUFA-UHFFFAOYSA-N 430.486 4.220 5 20 IIBD O=C1CCC(=O)N1c1ccc(-c2nc(-c3ccc(Cl)c(Cl)c3)no2)cc1[N+](=O)[O-] 517431780 GEJPGRSYZXQMBY-UHFFFAOYSA-N 433.207 4.272 5 20 IIBD COc1cc(C(=O)NCCc2ccccc2Cl)c([N+](=O)[O-])cc1OCc1cscn1 519194524 ZWXTXCUUWDJEKV-UHFFFAOYSA-N 447.900 4.265 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 519931605 UYBUMSFRHFRJDI-VOJFVSQTSA-N 430.848 4.382 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1[N+](=O)[O-] 520016993 FUKJJLRWGBYGFH-FPOVZHCZSA-N 434.489 4.012 5 20 IIBD C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)c2)C1 520126850 IKGYRPBUZCRKRY-VGOFRKELSA-N 439.512 4.449 5 20 IIBD O=C1NC2(CCCCC2)C(=O)N1Cc1ccccc1CNc1ccc(F)cc1[N+](=O)[O-] 520768442 GAONHZACUBPBQL-UHFFFAOYSA-N 426.448 4.101 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 522596414 AJNAJYVEJHYYRS-UHFFFAOYSA-N 439.493 4.032 5 20 IIBD Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 523125794 OFMAOAVRXOILFX-UHFFFAOYSA-N 436.447 4.166 5 20 IIBD COc1ccc(CC[C@@H]2CCCCN2C(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1OC 523563435 FNJUYEXHSMBUAT-SFHVURJKSA-N 428.485 4.248 5 20 IIBD Cc1cc(S(=O)(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)ccc1[N+](=O)[O-] 523979641 PZEMJPILWSIVBX-MUUNZHRXSA-N 436.555 4.285 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@H]1c1cccc2c1OCCO2 524067137 ZOSMUWHJZUXKNQ-GOSISDBHSA-N 437.477 4.467 5 20 IIBD COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCc2cc([N+](=O)[O-])ccc21 524625881 KJACKSAKUAIPQX-INIZCTEOSA-N 433.302 4.142 5 20 IIBD CC(C)[C@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1nc(-c2cccnc2)no1 524839124 UZZLSHCOVJRNFN-IBGZPJMESA-N 438.488 4.059 5 20 IIBD C[C@@H](NC(=O)c1cc2ccccc2c2cccnc12)[C@H]1CN(Cc2ccccc2)CCO1 525464551 FTZRNCURKDXEDP-KBMIEXCESA-N 425.532 4.407 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 532968296 BCROGTKGCKJLMC-HIFRSBDPSA-N 433.867 4.309 5 20 IIBD COc1ccccc1C(=O)N1[C@H](C(=O)N(C)c2cccc([N+](=O)[O-])c2)C[C@H]2CCCC[C@H]21 533606780 YZFXDUKLGXSAAD-HBGVWJBISA-N 437.496 4.040 5 20 IIBD CC[C@@H](NC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1c(C)noc1C 534535790 VBUQUODZTZAMHF-CYBMUJFWSA-N 429.399 4.081 5 20 IIBD CC(C)[C@@H](NC(=O)C[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 536305602 UGRFAJMPUYHZHL-UKPGIYTDSA-N 441.509 4.012 5 20 IIBD O=C(Nc1ccc(Cl)cc1)N1CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 536482865 SRXDLYYIBBWEGE-UHFFFAOYSA-N 441.875 4.110 5 20 IIBD CCc1nc2ccccc2n1C1CCN(C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])CC1 537320073 AEXFQUHTAMSCJP-UHFFFAOYSA-N 436.512 4.448 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1 538192067 YVNPBWSREUECKN-HXUWFJFHSA-N 447.532 4.038 5 20 IIBD O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1cc(OC(F)F)cc(OC(F)F)c1 539525164 HMWZUSJLSURCDW-UHFFFAOYSA-N 440.309 4.440 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)c(Cl)c1 539597027 HTYNDKVCWSWCOF-UHFFFAOYSA-N 430.829 4.252 5 20 IIBD Cc1cc(C)cc(-n2nc(C(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)cc2C)c1 539653402 BFYINLCQFKUARF-UHFFFAOYSA-N 434.496 4.389 5 20 IIBD O=C(Cc1cccc(OCc2cccnc2)c1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 539942878 WYPKCMVQRHAWDO-QHCPKHFHSA-N 435.505 4.386 5 20 IIBD CC(C)NS(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cc1 540397070 RGPJGWOJFZYEIX-UHFFFAOYSA-N 437.543 4.034 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 540697795 HVZUFIXGKVBKFW-UHFFFAOYSA-N 441.431 4.273 5 20 IIBD COc1ccc2c(c1)C[C@@H](C)N(C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)[C@H]2C 541022726 DLUFLLJZIWKLQS-CABCVRRESA-N 430.526 4.380 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(OCC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)n1 543847792 HAYDWBOYNXVHMO-HNNXBMFYSA-N 426.454 4.018 5 20 IIBD COC1(c2noc(C3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)n2)CCC1 545105465 SSKZYWMGCQPVSV-UHFFFAOYSA-N 426.395 4.406 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F 546071111 MRJLWTCNSPHGOK-RDJZCZTQSA-N 428.432 4.369 5 20 IIBD CC(C)(c1ccc([N+](=O)[O-])cc1)c1nc(Cc2nc(O)c3c(C4CC4)csc3n2)no1 546277105 YZOAKYDZASCWPV-UHFFFAOYSA-N 437.481 4.482 5 20 IIBD Cc1c(Cc2noc(-c3cnc4c(cnn4Cc4ccccc4)c3)n2)cccc1[N+](=O)[O-] 546487282 KFFUWDFKAIGKCB-UHFFFAOYSA-N 426.436 4.337 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CCOC3(CCOCC3)CC2)cc1 547425163 FAODUKONXDXTFE-UHFFFAOYSA-N 448.523 4.219 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1 548957818 VDVYNZJFOUJHSP-UHFFFAOYSA-N 425.420 4.368 5 20 IIBD Cc1ccc(CN2CC[C@H](CN(C)C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)C2)s1 552134388 MGCJQCWZERJGHM-MRXNPFEDSA-N 428.558 4.133 5 20 IIBD CN(CC(=O)NC(c1ccccc1)c1ccccc1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] 553579621 OWSZLYPDAIZHQG-UHFFFAOYSA-N 437.883 4.226 5 20 IIBD COc1ccc(-c2ccc(CNc3ccc(C(N)=O)cc3OCC(F)F)o2)c([N+](=O)[O-])c1 555099709 PMZFUOXHGNUYNH-UHFFFAOYSA-N 447.394 4.218 5 20 IIBD COc1ccc(CC(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)cc1[N+](=O)[O-] 556253032 IFADLYLVHNVCKX-UHFFFAOYSA-N 432.498 4.290 5 20 IIBD COCC[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)c(Cl)c1 556512102 GEEJRDSAXXPSQE-SFHVURJKSA-N 438.311 4.158 5 20 IIBD CN(Cc1ccc(Br)cc1Cl)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 557584410 TUGOXJIZDOXURA-UHFFFAOYSA-N 441.665 4.054 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1 558353910 SQSVWEGKBNJGQF-UHFFFAOYSA-N 434.452 4.192 5 20 IIBD Cc1cncc(N(Cc2ccccc2Br)C(=O)c2cc([N+](=O)[O-])cn2C)c1 559751002 TVYOWWWGZUFNBN-UHFFFAOYSA-N 429.274 4.246 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O 560700086 AVHXTMBZBLESIK-CQALLLNHSA-N 425.323 4.067 5 20 IIBD COc1cccc(C(=O)c2ccc(-c3nc(Cc4ccc([N+](=O)[O-])c(OC)c4)no3)cc2)c1 571005263 XOIQLUWIMRQTCC-UHFFFAOYSA-N 445.431 4.484 5 20 IIBD Cn1nc(-c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 571949346 AWXYYTXNXUGCQW-UHFFFAOYSA-N 448.357 4.038 5 20 IIBD CCOc1cc(CN2CCC[C@@H]2CF)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 574791910 PSHJYPOKCPGAPQ-LJQANCHMSA-N 446.475 4.373 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccc(Oc2cccnc2)cc1 588853554 PBUXAYUJPAQWAA-QGZVFWFLSA-N 448.479 4.428 5 20 IIBD CCOc1cc(-c2nnc(Sc3cccnc3[N+](=O)[O-])o2)cc(OCC)c1OCC 603839630 PRXNDSHGIMKLJG-UHFFFAOYSA-N 432.458 4.387 5 20 IIBD CCOC(=O)c1sc2nc(CN(C)C)nc(N[C@H](C)c3cccc([N+](=O)[O-])c3)c2c1C 603867206 BOSNBRCALXQWEE-CYBMUJFWSA-N 443.529 4.319 5 20 IIBD C[C@@H]1CCCN(c2ccc(C(=O)N3CCO[C@H](c4ccc(F)c(F)c4)C3)cc2[N+](=O)[O-])C1 608964938 OQQTYTCTRCXSPH-QRQCRPRQSA-N 445.466 4.323 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CN3CCC(c4nc(-c5ccccc5)no4)CC3)n2)c1 609146296 YODJTSCXHZKZBY-UHFFFAOYSA-N 432.440 4.074 5 20 IIBD COC(=O)c1ccc2c(c1)CN(c1ccc(C(=O)Nc3ccc(C)cc3)cc1[N+](=O)[O-])C2 609287930 HACUBNIMIRIINL-UHFFFAOYSA-N 431.448 4.462 5 20 IIBD NC(=O)c1cccc(Oc2ccc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)cc2)c1 609454853 PFFGRWQPDCSLHI-UHFFFAOYSA-N 432.436 4.313 5 20 IIBD CN(C)[C@@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1c(F)cccc1F 609664039 GLHGWNTWFSESOQ-KRWDZBQOSA-N 432.452 4.029 5 20 IIBD CC(C)[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1Cl 609689744 FMZATSAWHYDBGM-MRXNPFEDSA-N 441.818 4.302 5 20 IIBD O=c1c(Cl)c(NCCc2ccc(Br)cc2)cnn1-c1ccc([N+](=O)[O-])cc1 609765424 VERRWITWSYCRKU-UHFFFAOYSA-N 449.692 4.211 5 20 IIBD CC(C)(C(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc([N+](=O)[O-])cc1 610037016 MZYNLSQLQYCEBB-UHFFFAOYSA-N 425.466 4.406 5 20 IIBD CC(C)(C(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1ccc([N+](=O)[O-])cc1 610045658 UEDMUXOANWVVMS-OAHLLOKOSA-N 437.418 4.166 5 20 IIBD COc1cccc([C@@H](C)N2CCN(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)CC2)c1 610105604 OOIQYTIYWSWQCD-LJQANCHMSA-N 440.544 4.015 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c(Br)cc1F 610183048 USIAEPJDFYXYID-UHFFFAOYSA-N 431.601 4.189 5 20 IIBD COc1cc(C(=O)N[C@H]2C[C@]2(C)c2ccccc2)c([N+](=O)[O-])cc1OCc1cscn1 610191456 ZJSBRRHDPPUTEH-RBBKRZOGSA-N 439.493 4.099 5 20 IIBD COc1cccc(C[C@@H]2CCCN2S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 610261618 UTIWXAUNUVIMNK-AWEZNQCLSA-N 445.324 4.306 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NC1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 610766759 YQFFESLOQXFTDJ-DODAUVCRSA-N 428.492 4.151 5 20 IIBD C[C@@H](N[C@@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 610816005 ZNOZRKMNEXIWRZ-HZPDHXFCSA-N 436.537 4.352 5 20 IIBD Cc1nc(-c2cccs2)c(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)s1 619213838 QBWYTXBPZMZGPE-UHFFFAOYSA-N 431.495 4.431 5 20 IIBD C[C@H](OC(=O)CC[C@H](O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 726870670 JHWBJDBUYPICLP-YWZLYKJASA-N 428.485 4.276 5 20 IIBD CN(C(=O)c1cccc(C(=O)OCCCOc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 729778022 LTFCIOGZCDEGFV-UHFFFAOYSA-N 434.448 4.497 5 20 IIBD O=C(/C=C/C1CCOCC1)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 732691390 HRDFKDWKUJELAM-VHTFYLNKSA-N 444.871 4.454 5 20 IIBD O=C(OCc1cc(Cl)ccc1OC(F)F)c1cc([N+](=O)[O-])ccc1N1CCOCC1 735249212 RMVWLMRCGGRABS-UHFFFAOYSA-N 442.802 4.043 5 20 IIBD O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 735800190 DQMZRAJLTKXDRP-HNNXBMFYSA-N 437.279 4.497 5 20 IIBD O=C(OCCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cccc(Oc2cnccn2)c1 737326307 OGIMXRZNKQPPAR-UHFFFAOYSA-N 449.341 4.432 5 20 IIBD COc1ccc([C@H]2[C@H](COC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)CCN2C)cc1 741120131 AOYRLCLLNRJZSG-CVDCTZTESA-N 439.512 4.053 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H]1CCCN(c2ccccc2Cl)C1=O 744498907 ZTBQPZRAQCMNMR-FZKQIMNGSA-N 434.901 4.468 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)c1 745388827 IJAOWNXDXCCMHX-UHFFFAOYSA-N 428.828 4.290 5 20 IIBD CC(C)n1cc(Br)cc1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 745459575 DFCBFEYYJQNRLS-UHFFFAOYSA-N 444.669 4.189 5 20 IIBD CC(C)Nc1ccc(F)cc1NC(=O)c1cc([N+](=O)[O-])ccc1I 746334795 VEBMBZASNKXHER-UHFFFAOYSA-N 443.216 4.411 5 20 IIBD CCN(C)C(=O)COC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 746561174 TUSWOHHRUBXUFX-FOWTUZBSSA-N 439.493 4.157 5 20 IIBD Cc1sc2ncnc(N3CCC(C(=O)OCc4ccc([N+](=O)[O-])cc4F)CC3)c2c1C 746911755 LJNDMNUWSUEWLG-UHFFFAOYSA-N 444.488 4.315 5 20 IIBD NC(=O)c1c(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)sc2c1CCCC2 747623240 KVNIMHIVTVWJFB-UHFFFAOYSA-N 428.495 4.010 5 20 IIBD Cc1nc(CCCC(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cs1 749912311 XYMRNNXYNCNZOY-LJQANCHMSA-N 445.541 4.311 5 20 IIBD O=C(OCc1cn2cc(Cl)cc(Cl)c2n1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 750133888 LIUMIQMJKBCUQM-UHFFFAOYSA-N 432.223 4.092 5 20 IIBD C[C@@H](OC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)N(C)c1ccccc1 750503634 CYRBAUVIWUOITR-CYBMUJFWSA-N 439.390 4.010 5 20 IIBD C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H](OCCCc2ccccc2)C1 752336522 TZECXPMFOSXRTH-LPHOPBHVSA-N 431.920 4.299 5 20 IIBD O=C(Nc1cccc(Cl)n1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 752697078 AHMZYWCNQBFEDG-UHFFFAOYSA-N 429.786 4.016 5 20 IIBD O=C(NC1CCCC1)OC[C@H]1CCCCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 753004799 ZCHVBWAMJLBKSZ-LJQANCHMSA-N 447.535 4.345 5 20 IIBD Cc1ccc(N(C)[C@@H]2CCCN(C(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)C2)cc1 753048223 CKCRMKVBABSEAR-OAQYLSRUSA-N 433.512 4.045 5 20 IIBD Cc1cc(N2CCSCC2)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl 753072330 PMKMODVEBWHGMB-UHFFFAOYSA-N 441.962 4.219 5 20 IIBD COc1cccc(CN(C[C@@H]2CCCO2)C(=O)c2cccc([N+](=O)[O-])c2Br)c1 753807253 VBOGUCCQFYMFDW-INIZCTEOSA-N 449.301 4.187 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)cc1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 753908674 PEMGAQVZSUSSQL-GOSISDBHSA-N 426.473 4.468 5 20 IIBD Cc1c(C(=O)N2CCC[C@H](COc3ccccc3Cl)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 754122325 GDNRJKVDLKWIQR-AWEZNQCLSA-N 433.848 4.396 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(CNS(=O)(=O)c2cccc(Cl)c2Br)c1 755120672 KTQGXCUMZVNHJG-UHFFFAOYSA-N 440.102 4.143 5 20 IIBD C[C@@](O)(CC(=O)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)C1CC1 756313719 UKDVYBNLHBUBKO-PZJWPPBQSA-N 432.860 4.022 5 20 IIBD O=C(N[C@H]1C[C@H]1c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1Br 758233049 FINPEYKWUJXNGJ-STQMWFEESA-N 440.091 4.406 5 20 IIBD C[C@@H]1CC(=O)CC[C@@H]1C(=O)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 760566490 GOAMBZHNTUUWKJ-VOWSPCBNSA-N 444.871 4.477 5 20 IIBD C[C@@H]1C[C@@H](C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCC1=O 761468495 PNBVUSKGAWNHSO-IAMHBRQHSA-N 444.871 4.477 5 20 IIBD CN1C(=O)N(Cc2cc([N+](=O)[O-])ccc2Cl)C(=O)[C@H]1c1cccc(Br)c1 762121262 QRXHIVNICWERSB-OAHLLOKOSA-N 438.665 4.146 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CC2(CCCC2)c2cccc(F)c21 763664189 ZIOFHXPFUMVULT-UHFFFAOYSA-N 425.460 4.043 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 764089180 XBEGRKBYABYVQB-CABCVRRESA-N 437.562 4.472 5 20 IIBD Cc1cnc([C@H](C)OC(=O)c2cc(C(=O)O[C@H](C)c3ncc(C)o3)cc([N+](=O)[O-])c2)o1 764580204 YFNJAJSRQHUILT-BETUJISGSA-N 429.385 4.024 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@H](C)Cc1ccc(Br)cc1 766237652 NZONGGIPRHWGNI-CYBMUJFWSA-N 435.274 4.026 5 20 IIBD CC[C@H]1CCCC[C@H]1OCC(=O)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C 766346497 JXXMBOKFKHFHLT-QFBILLFUSA-N 430.505 4.367 5 20 IIBD CC(=O)[C@H](Cc1ccc(F)cc1F)OC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 768598974 SUIAITRQMHOWFP-KRWDZBQOSA-N 447.312 4.171 5 20 IIBD CC(=O)Nc1cccc(NC(=O)[C@@H](OC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C(C)C)c1 769887940 MHCWJCVROUUDFL-NRFANRHFSA-N 441.484 4.299 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)O[C@H](C)C(=O)N(C)Cc1nc2ccccc2s1 769888843 OIGIGQAYZMYNAM-OAHLLOKOSA-N 441.509 4.334 5 20 IIBD Cc1ncsc1CN(C)c1ccc([N+](=O)[O-])c(N(C)Cc2scnc2C)c1[N+](=O)[O-] 771143977 BXFWJXXESMZGSC-UHFFFAOYSA-N 448.530 4.306 5 20 IIBD O=C(COC(=O)[C@@H]1CCCc2sccc21)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 771423525 YDDKMNUZHIYRPJ-GFCCVEGCSA-N 428.388 4.277 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 775169789 JNXUATSBKDYZAX-BYVAAYKLSA-N 435.249 4.110 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3cc(C(C)=O)c(C)nc3C)CC2)ccc1[N+](=O)[O-] 777326494 OYFUDJSIVHORMO-UHFFFAOYSA-N 441.484 4.034 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(OS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)c1 777983233 LWBFERGVNHGVPF-NSHDSACASA-N 448.280 4.085 5 20 IIBD O=C(OCc1nc(-c2ccccc2F)no1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 781173003 FCGSQTUQYZTBMF-UHFFFAOYSA-N 426.385 4.264 5 20 IIBD O=C(OCc1noc(-c2cccs2)n1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781256349 DDNYUENEPIVTLH-UHFFFAOYSA-N 439.399 4.428 5 20 IIBD Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781648742 KAFNEVBVPRZYKF-UHFFFAOYSA-N 428.445 4.367 5 20 IIBD CC(C)c1ccccc1NC(=O)[C@H](C)OC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781736270 HLRRNAULAVBNJM-AWEZNQCLSA-N 429.429 4.129 5 20 IIBD CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccc([N+](=O)[O-])s2)NC(=S)N1 782244889 KQXJMHAQSDMNSV-AWEZNQCLSA-N 442.444 4.107 5 20 IIBD CCN1C(=S)N[C@@H](c2scnc2C2CC2)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)=C1C 783653643 DECAQIKRHADRKK-QGZVFWFLSA-N 443.554 4.093 5 20 IIBD COc1cc(Br)ccc1CCCOC(=O)c1c(F)ccc([N+](=O)[O-])c1F 785362838 QDHZTPNTYQDHCH-UHFFFAOYSA-N 430.201 4.434 5 20 IIBD C[C@H](OC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)C(=O)Nc1cccc2ccccc12 786785208 NIMQGIRDDYOHCT-HNNXBMFYSA-N 445.431 4.245 5 20 IIBD CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)OCc1ncc(C)c([N+](=O)[O-])c1C)O[C@@H](C)C2 789437578 NIQZPPGAEMCYQL-QANKJYHBSA-N 426.469 4.176 5 20 IIBD CCc1c(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])cnn1C(CC)CC 790421788 QDVMHNDQUQBMBW-UHFFFAOYSA-N 445.339 4.278 5 20 IIBD CCc1ccc(C(=O)N2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)cc1[N+](=O)[O-] 791233816 YSYQUDPIAXSDGB-UHFFFAOYSA-N 438.402 4.180 5 20 IIBD O=C(CN[C@H](c1ccccc1)[C@@H](O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl 794670106 ZDXMKOHEOZVMFJ-YADHBBJMSA-N 425.872 4.251 5 20 IIBD O=C(O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1cc2sc(N3CCCC3)nc2s1 796768207 ZXSUSQATPSCNAD-OLZOCXBDSA-N 447.542 4.403 5 20 IIBD COc1c(C(=O)Oc2ccc(Oc3ncc(Br)cn3)cc2)cccc1[N+](=O)[O-] 796990506 DLALDMYZJRXVQC-UHFFFAOYSA-N 446.213 4.167 5 20 IIBD O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCC[C@@H](N2CCCCC2=O)C1 799630131 TYAAVGPOBDXWBL-QGZVFWFLSA-N 439.537 4.363 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 800598782 XYDULKKCXNSSIO-UHFFFAOYSA-N 439.365 4.191 5 20 IIBD O=[N+]([O-])c1ccc(CN[C@H](CO)c2ccc(Br)cc2C(F)(F)F)cc1F 801555337 LBXXPBVPFJCREV-CQSZACIVSA-N 437.187 4.338 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)CCc1c(C)nc2c3cccnc3nn2c1C 803763494 VPBUFDSLCXVQTP-MRXNPFEDSA-N 433.468 4.348 5 20 IIBD CCN(C)C(=O)CSc1ccc([C@H](C)OC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1 809320570 KAIAIPHNLNHLDZ-LBPRGKRZSA-N 438.452 4.361 5 20 IIBD O=C(Nc1cccc(SC(F)F)c1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810395547 LZKQTPMTHZVNCK-UHFFFAOYSA-N 446.229 4.249 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811216013 CQXSOTJBAITHQR-CHWSQXEVSA-N 435.502 4.311 5 20 IIBD COCCNC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1Cl 812920195 VHZJCZCZIRBZIQ-UHFFFAOYSA-N 446.674 4.184 5 20 IIBD Cc1oc(-c2ccccc2F)nc1C(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 813173690 GVEKPLVVUHSNSV-KRWDZBQOSA-N 425.416 4.129 5 20 IIBD O=C(O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)C1(c2cccc(Cl)c2)CCOCC1 813174252 UIFQMOJWDLNZOS-NRFANRHFSA-N 444.915 4.114 5 20 IIBD CSc1ccc(C(=O)O[C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] 816401170 PABKDWLKXUTYOI-SCLBCKFNSA-N 432.473 4.365 5 20 IIBD CC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c(C(F)(F)F)c1 832919846 IDEMCVVQIUWIIN-UHFFFAOYSA-N 426.307 4.041 5 20 IIBD CCOc1ccc(C(=O)O[C@@H](C(=O)Nc2cccc(C(C)=O)c2)C(C)C)cc1[N+](=O)[O-] 877877633 BGRNXGWCZDZAFG-HXUWFJFHSA-N 428.441 4.016 5 20 IIBD Cc1c(C(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 915083395 NBXFVQBNBOBJDM-LJQANCHMSA-N 432.864 4.032 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1ccc(-c2cnco2)cc1 918554846 SOWZOVFNOGWLPK-UHFFFAOYSA-N 433.424 4.351 5 20 IIBD COC(=O)c1ccc([C@H](C)OC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 920802624 MXZBYZJWUZUMDW-NSHDSACASA-N 427.331 4.241 5 20 IIBD CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C1 1116510700 ZMSDZUYBXJQTPP-SNVBAGLBSA-N 431.802 4.333 5 20 IIBD Cc1c(I)cccc1-c1nnc(COc2ccccc2[N+](=O)[O-])o1 1257769200 MMDRBHBLTHSEOJ-UHFFFAOYSA-N 437.193 4.137 5 20 IIBD CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] 1261219943 XTGABADJCYIETL-UHFFFAOYSA-N 442.516 4.354 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)N(CC(F)(F)F)c2ccc(Cl)cc2)c1 1324312813 YAQLEAVUSJGYRH-UHFFFAOYSA-N 446.765 4.009 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(F)cc1OC(F)F 1324907559 RNDMDGQOUCRJFB-QWRGUYRKSA-N 427.379 4.022 5 20 IIBD Cc1cccnc1C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3F)CCC2)cc1 1786499710 CVPLUFYFNPDQOB-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD O=C(/C=C/C1CCCCC1)NC1(c2ccc(NC(=O)c3nc[nH]c3[N+](=O)[O-])cc2)CCC1 1788612085 DQXWBAAEVNSIJK-KPKJPENVSA-N 437.500 4.202 5 20 IIBD CO/C=C(\C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(C)c([N+](=O)[O-])c3)cc2)CCC1 1790524270 KNEYKWQXHYLASG-BMRADRMJSA-N 437.496 4.130 5 20 IIBD Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])C3)c1 1799648917 ODLVSLGUOBKYBB-ACDBMABISA-N 441.915 4.051 5 20 IIBD CC(C)[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)C3)CC1 1801815629 NBZRMCFITLNCDB-PFFGQXEYSA-N 443.544 4.302 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC2(CCCN2C(=O)c2cccc3c2CCCC3)C1 1846837000 FYDKHNNSTXAACM-BUHFOSPRSA-N 445.519 4.004 5 20 IIBD Cc1nc2cc(F)ccc2cc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 10859760 MBOCDQJDSCQLJU-LLVKDONJSA-N 431.807 4.428 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1[N+](=O)[O-] 12861060 QXAOQNNRBRFXDN-KRWDZBQOSA-N 449.301 4.099 5 20 IIBD COc1ccc(C(=O)NCC(=O)Nc2ccc(Oc3cccc(C)c3)cc2)cc1[N+](=O)[O-] 15980277 BZYDKIDHNZPTOV-UHFFFAOYSA-N 435.436 4.073 5 20 IIBD C[C@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccc(OC(F)(F)F)cc1 20820670 UIIWLBJARZTTHS-VIFPVBQESA-N 432.738 4.331 5 20 IIBD COc1cc(CSc2nnc(Cc3csc(C)n3)o2)c([N+](=O)[O-])cc1OC(F)F 29991684 LDHAPQNQXJZKDN-UHFFFAOYSA-N 444.441 4.236 5 20 IIBD COc1ccc(NC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)c([N+](=O)[O-])c1 58549847 GTBXFJQBLAJTOP-UHFFFAOYSA-N 439.428 4.304 5 20 IIBD Cc1cc(C(=O)Nc2cc(NC(=O)CN3CCCC[C@@H]3C)ccc2F)ccc1[N+](=O)[O-] 58988134 SERUFRGTZJMUJZ-HNNXBMFYSA-N 428.464 4.108 5 20 IIBD CN(C)[C@@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1Cl 65085110 HMLWRJVVKGCBJJ-SFHVURJKSA-N 430.917 4.404 5 20 IIBD CCOc1ccc(C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)cc1[N+](=O)[O-] 69476411 KAPMQODFKVOSCJ-OAHLLOKOSA-N 427.482 4.429 5 20 IIBD CCOc1ccc(S(=O)(=O)N(Cc2ccco2)Cc2cccc([N+](=O)[O-])c2C)cc1 71964777 SXJZIEDCHBNSND-UHFFFAOYSA-N 430.482 4.286 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N(Cc1cccs1)C[C@@H]1CCCO1 105500523 WJLUTOHOIHIJOJ-SFHVURJKSA-N 432.545 4.424 5 20 IIBD Cc1cc(NC(=O)c2cccc(OCc3cscn3)c2)n(-c2ccc([N+](=O)[O-])cc2)n1 105510898 QLWZLJJXBRANGX-UHFFFAOYSA-N 435.465 4.377 5 20 IIBD Cc1cc(N2CCC(c3nc(-c4ccccn4)no3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 301237029 DMPCUPCRXWORHQ-UHFFFAOYSA-N 443.467 4.189 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 302522733 JFNXCGPNYLMILQ-AMIZOPFISA-N 431.289 4.417 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(NC[C@H]2CCCO[C@H]2c2ccccc2)c([N+](=O)[O-])c1 303038724 SIJVUUCCKXOZIY-GCJKJVERSA-N 447.557 4.205 5 20 IIBD CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c1 303458218 FGENHADWJUQEHN-UHFFFAOYSA-N 433.530 4.139 5 20 IIBD C[C@H]1CN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@H](c2ccsc2)O1 426267449 NISFLPXRJKOZGZ-MEDUHNTESA-N 429.420 4.347 5 20 IIBD Cc1sc(CCNC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)nc1-c1ccccc1 428050940 XPZGUIBGKJUYAK-UHFFFAOYSA-N 448.504 4.313 5 20 IIBD CC[C@@]1(CO)CCCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 428536982 SPARFSOSMHUJDJ-JOCHJYFZSA-N 431.920 4.485 5 20 IIBD CCc1ccccc1N(C(C)=O)c1nc(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)cs1 428639032 IPSZYICRHFUWLY-UHFFFAOYSA-N 438.465 4.255 5 20 IIBD CC(C)(C(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccccc1[N+](=O)[O-] 429894348 CTAGMKLFMGZISW-UHFFFAOYSA-N 432.402 4.393 5 20 IIBD CCN1CCN(c2ccc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])c(C)c2)CC1 429924933 LZLYTZSXODIRGO-UHFFFAOYSA-N 447.333 4.060 5 20 IIBD COc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1N1CCCCC1=O 431636479 PRDWZESISULPFO-UHFFFAOYSA-N 448.273 4.135 5 20 IIBD O=C(Nc1ccccc1CN1CCSCC1)c1cc(Br)cc([N+](=O)[O-])c1 431934783 FPJRPGJCBFVAED-UHFFFAOYSA-N 436.331 4.158 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](Cc1ccccc1)c1ccccc1 440057444 WDOWYOMGHGMJLE-FQEVSTJZSA-N 447.491 4.075 5 20 IIBD CO[C@@H]1CCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 441460850 VPBYICDHQAXNDX-HTAPYJJXSA-N 434.496 4.016 5 20 IIBD C[C@@H](CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(C(F)(F)F)cc1 443842656 MRFZGJGAAJDQOQ-JTQLQIEISA-N 429.782 4.125 5 20 IIBD CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H](c1cccc(F)c1)c1cnn(C)c1 443867839 LSUJVYVXZRVINS-SFHVURJKSA-N 436.365 4.348 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCN(c2ccc3ccccc3n2)CC1 444073790 KSTCFBDVQUHEHV-UHFFFAOYSA-N 434.499 4.192 5 20 IIBD CCCCS(=O)(=O)Nc1ccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 444079552 XTWWGXWCKZPKKI-UHFFFAOYSA-N 449.532 4.475 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCN(c2ccc(F)cc2Cl)CC1 444251401 SZXSNPGGLRRVHD-UHFFFAOYSA-N 435.886 4.436 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2nc3ccccc3n2C(F)F)c([N+](=O)[O-])c1 444663468 OUJLGRUVWJLDMR-NEPJUHHUSA-N 433.415 4.026 5 20 IIBD CC1CCN(CCc2cccc(NC(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)c2)CC1 444940084 DADVGDXOJGGTJS-UHFFFAOYSA-N 436.516 4.067 5 20 IIBD O=C(Nc1cccc(CN2CCSCC2)c1)c1sc(Br)cc1[N+](=O)[O-] 445183587 DJAGZRRMHGGGDS-UHFFFAOYSA-N 442.360 4.220 5 20 IIBD C[C@H]1CCCCN1C[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 445993028 MGZHXKYGNPDFOR-JKSUJKDBSA-N 438.366 4.013 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 446496542 TXNHKNRJBQHNSI-UHFFFAOYSA-N 443.813 4.325 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)c(C(F)(F)F)c1 447024988 AVBGLDTUGGJTKU-ZJUUUORDSA-N 434.358 4.261 5 20 IIBD C[C@H](c1cc(F)ccc1F)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 447035155 BUWPJNKVPJUOBM-SECBINFHSA-N 435.246 4.017 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C)c1sc(-c2ccccc2)nc1C 464022267 BIYINFLBPRROHU-AWEZNQCLSA-N 438.509 4.459 5 20 IIBD CN(C)c1cc(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c2ccccc2n1 465086569 YETFGRZDMWHYKS-UHFFFAOYSA-N 433.493 4.263 5 20 IIBD C[C@H](CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Oc1ccc(Cl)cc1 466382508 HHYIIPXPADYLGK-OAHLLOKOSA-N 433.892 4.269 5 20 IIBD COc1cc(C(=O)NC(C)(C)Cc2ccc(C(F)(F)F)cc2)cc([N+](=O)[O-])c1OC 468296434 NHYORYGAQBASSQ-UHFFFAOYSA-N 426.391 4.382 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 468586422 NKYSDTPZXGBMTJ-HNNXBMFYSA-N 434.290 4.083 5 20 IIBD Cc1cccc(-c2cccc(CNC(=O)c3ccc(N4C(=O)CCC4=O)c([N+](=O)[O-])c3)c2)c1 469000467 OTARFNBURMONBV-UHFFFAOYSA-N 443.459 4.154 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCCCC[C@H]3c3ncon3)cc2[N+](=O)[O-])C1 469810725 SAZOEOOJFHTMGO-FCEWJHQRSA-N 427.505 4.218 5 20 IIBD Cc1cc(OC[C@@H](O)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)c(C(C)C)cc1Cl 470878906 CJDJKIQQMGAUHN-INIZCTEOSA-N 430.892 4.378 5 20 IIBD CCOc1cc(C(=O)N[C@H](C)c2nc(-c3ccc(CC)cc3)no2)c([N+](=O)[O-])cc1OC 472385169 IEPXOFHIUHESQL-CYBMUJFWSA-N 440.456 4.106 5 20 IIBD COc1cc(CN(C)C(=O)c2cccc([N+](=O)[O-])c2OC)ccc1OCc1ccccc1 474289814 MWDUNTWVPGZSMY-UHFFFAOYSA-N 436.464 4.463 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc4c(c3)CN(C)C(=O)N4)cc2[N+](=O)[O-])C1 478985657 GXYQDMRKNBMJRA-HUUCEWRRSA-N 437.500 4.307 5 20 IIBD O=C1N[C@@H](c2ccc(OC(F)F)cc2)C(=O)N1Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 479178962 HXZQSXCQCDLFQX-AWEZNQCLSA-N 445.300 4.008 5 20 IIBD O=C(NCc1cccc(Cn2ccnc2)c1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 481680681 AUKQPVRGUNLSOZ-UHFFFAOYSA-N 441.491 4.382 5 20 IIBD Cn1nc([N+](=O)[O-])cc1C(=O)N(CCc1ccccc1)c1nc(-c2ccccc2)cs1 483951293 WIDRLKCFOWVGFP-UHFFFAOYSA-N 433.493 4.341 5 20 IIBD COC(=O)[C@@H](C)N(C(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(Br)cc1C 484831989 VGTVLSQRFHZODU-CYBMUJFWSA-N 435.274 4.182 5 20 IIBD Cc1cc(Cl)cnc1NC(=O)c1cc([N+](=O)[O-])cc(I)c1C 485095047 RTVHQKXNCYEUTP-UHFFFAOYSA-N 431.617 4.117 5 20 IIBD CN1C(=O)C[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccc(Cl)c(Cl)c1 485608681 NZNGBGDRAJFNDH-APPDUMDISA-N 426.231 4.199 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(NC(=O)c2cccnc2)cc1 486205024 FMOHEAZHYAPPOI-UHFFFAOYSA-N 436.493 4.284 5 20 IIBD COC(=O)Cc1csc(N(C)C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n1 487719701 LOJFHIAIHCPSIG-UHFFFAOYSA-N 443.506 4.195 5 20 IIBD COc1cccc(C2(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CCOCC2)c1F 487755283 TUKFBCXLDFUIQK-UHFFFAOYSA-N 442.365 4.197 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 488924756 PRQBAUAUEJUVRO-INIZCTEOSA-N 430.766 4.202 5 20 IIBD CCn1c(S[C@@H](C(=O)N2CCCC[C@H]2C)C(C)C)nnc1-c1ccc([N+](=O)[O-])cc1 489410920 VEBJAPLRJRSOCV-CRAIPNDOSA-N 431.562 4.391 5 20 IIBD CCCOc1ccc(C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)cc1OCCC 490394102 AFXQGTFUQNSFPA-UHFFFAOYSA-N 425.445 4.210 5 20 IIBD CCN(C(=O)c1cc(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)ccc1Cl)C(C)C 490488929 SMOZMIKHDHTZIE-UHFFFAOYSA-N 447.923 4.352 5 20 IIBD COc1cc(CNc2cccc(Cn3nc(C)nc3C)c2)c([N+](=O)[O-])cc1OCC(F)F 490585035 AFRJLASJVSYBAB-UHFFFAOYSA-N 447.442 4.116 5 20 IIBD Cc1cc(=O)c(C(=O)N(Cc2cccc(Cl)c2)C(C)C)nn1-c1ccccc1[N+](=O)[O-] 498361587 GLZRGIGSEBLEOL-UHFFFAOYSA-N 440.887 4.153 5 20 IIBD O=[N+]([O-])c1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Br)cc1 500470956 PHUCEARDVXYKFO-UHFFFAOYSA-N 425.182 4.177 5 20 IIBD CN(C)[C@H](CNc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])c1ccsc1 502113064 OKVUXROLNKIDLF-HXUWFJFHSA-N 446.554 4.172 5 20 IIBD CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@H]1CCSc2ccc(Br)cc21 504566004 MUTGHYJLFNHDTR-AWEZNQCLSA-N 437.315 4.432 5 20 IIBD CC(=O)c1cc2c(cc1NC(=O)c1ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c1)OCO2 506247731 STSULUKKBHEROA-ZDUSSCGKSA-N 448.435 4.347 5 20 IIBD COc1cc(CN2CCC[C@@H](CN3CCCC[C@H]3C)C2)c([N+](=O)[O-])cc1OC(F)F 506475450 WZNZYWXHMNGELV-HZPDHXFCSA-N 427.492 4.291 5 20 IIBD CCCn1c(Sc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)nc2cc(Cl)ccc2c1=O 506810650 DEWNZLOAMCICMV-UHFFFAOYSA-N 444.900 4.404 5 20 IIBD O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 510607096 NOPJIHHBWSKQOT-ZDUSSCGKSA-N 435.358 4.248 5 20 IIBD CC[C@@H]1C[C@@H](CC(=O)N(CCOC)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CCO1 514145081 SZEXETVGIXRWLS-MAUKXSAKSA-N 433.530 4.293 5 20 IIBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccnc(-c2ccc(Cl)cc2)n1 516208091 CJAZBQNFJWWDLX-UHFFFAOYSA-N 426.816 4.119 5 20 IIBD O=[N+]([O-])c1ccccc1Cc1noc(CSc2nnc(C3CC3)n2Cc2ccccc2)n1 516559833 VPBNKVWQIOQAES-UHFFFAOYSA-N 448.508 4.378 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 518902677 REUPKRFOHMKQMV-UHFFFAOYSA-N 444.495 4.001 5 20 IIBD COc1ccc(CNC(=O)N[C@H](C)c2ccc(Br)cc2F)cc1[N+](=O)[O-] 520645505 OZTHXLLCIGDMMG-SNVBAGLBSA-N 426.242 4.065 5 20 IIBD Cc1cc(=O)c(C(=O)Nc2ccc3nc(C(C)C)sc3c2)nn1-c1ccccc1[N+](=O)[O-] 521375301 YFUQEKSWQNSKKI-UHFFFAOYSA-N 449.492 4.435 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2CCc2ccc(OC)c(OC)c2)c1 522378115 MIAGRNFPSPMKSQ-KRWDZBQOSA-N 428.485 4.248 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 522585447 OVNHGROWYKEMSM-ZDUSSCGKSA-N 430.823 4.457 5 20 IIBD COc1ccc(Oc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)cn2)cc1 525017178 JOTVBZRBMQFUAQ-UHFFFAOYSA-N 435.845 4.245 5 20 IIBD CC1(C)[C@H](N[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)[C@@H]2CCO[C@H]21 525459881 BBPMIZRDNGROCY-KCUHQSDYSA-N 429.904 4.331 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](c2ccccc2Cl)OC[C@@H]1C 533304353 NEXCSJRXCZTXRF-VBKZILBWSA-N 433.892 4.047 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(c2ccc(F)cc2Cl)CC1 535247602 OIGRYKMEQKLBBH-CYBMUJFWSA-N 431.855 4.321 5 20 IIBD COc1cc(CNc2ccccc2O[C@H]2CCOC2)c([N+](=O)[O-])cc1OCC(F)(F)F 535835780 OQVDGENCMRZOJU-AWEZNQCLSA-N 442.390 4.324 5 20 IIBD Cc1ccc([C@@H](C)NCc2ccc(Br)cc2N2CCOCC2)cc1[N+](=O)[O-] 536844791 ICYQMDSVQJEZIU-OAHLLOKOSA-N 434.334 4.353 5 20 IIBD CO[C@H]1CCC[C@H]1CNC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 537141246 OHBGIMJOFLZHPE-KXBFYZLASA-N 428.510 4.093 5 20 IIBD COCC1(C)CCN(c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])CC1 538005219 TXDHLLMZSSRILJ-UHFFFAOYSA-N 447.557 4.265 5 20 IIBD COc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 539229818 QWEGKRLIUUZVPT-KBPBESRZSA-N 426.498 4.405 5 20 IIBD CCOc1ccccc1[C@H](CC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)NC(C)=O 541068220 OPHUEJJBDKGMGC-INIZCTEOSA-N 439.390 4.218 5 20 IIBD CCN(CC)CCn1c(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)nc2ccccc21 541585156 QTACOPWOOAGIQH-OAHLLOKOSA-N 427.480 4.168 5 20 IIBD Cc1c([C@@H](C)N[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cnn1C 543519940 XLZCWCKPLFPSIP-XCLFUZPHSA-N 427.892 4.321 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)c1 544639125 FIYHAXLRCHFYPK-UHFFFAOYSA-N 442.375 4.081 5 20 IIBD CCC[C@H](NC(=O)c1ccccc1)c1noc(-c2cc(C(=O)OCC)cc([N+](=O)[O-])c2)n1 546491898 RRSGNKWHZIQLOE-SFHVURJKSA-N 438.440 4.093 5 20 IIBD O=C1CCCN1c1cccc(-c2noc(-c3ccc([N+](=O)[O-])cc3Br)n2)c1 546992391 ZONGVBOLANSXRF-UHFFFAOYSA-N 429.230 4.201 5 20 IIBD COCC(=O)Nc1ccc(-c2noc([C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 547007852 DAEAEMWIHXDLOU-NSHDSACASA-N 432.820 4.023 5 20 IIBD CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 548847366 HXPPAMFBZAYSIA-CYBMUJFWSA-N 438.311 4.170 5 20 IIBD COc1ccc(OC)c(CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C(C)(C)C)c1 549272620 HVGFUGMGRJJXPY-UHFFFAOYSA-N 438.484 4.239 5 20 IIBD CCS[C@H](C)c1noc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)C)n1 549417312 LZGBFIJNJQEETD-CQSZACIVSA-N 445.549 4.343 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 550831839 DSVGJVPZRQBSGP-UHFFFAOYSA-N 425.438 4.030 5 20 IIBD O=C(c1ccccc1[N+](=O)[O-])N1CCN(Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 560623457 POZLNOKSESVIBW-UHFFFAOYSA-N 442.928 4.330 5 20 IIBD NC(=O)c1c[nH]c(-c2noc(-c3ccc(NCc4ccccc4Cl)c([N+](=O)[O-])c3)n2)c1 562481080 IYGJAQLHDDCFCO-UHFFFAOYSA-N 438.831 4.004 5 20 IIBD O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 568972384 STOGBPDFYGNVIK-UHFFFAOYSA-N 435.402 4.170 5 20 IIBD O=[N+]([O-])c1ccc2nc(NCc3nc4c(s3)C[C@H](c3ccccc3)CC4)nc(O)c2c1 578733243 JUOKMACSBWJALA-CQSZACIVSA-N 433.493 4.585 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccncc1OC[C@H]1CCOC1 582985989 ZSUYZNAPDMSNEE-INIZCTEOSA-N 445.541 4.083 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@@H]3CCCc4nc(O)ccc43)cc2[N+](=O)[O-])n1 603215542 MWSPHDAPKPWWQF-OAHLLOKOSA-N 442.522 4.419 5 20 IIBD O=C(Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1cc2c(cc1[N+](=O)[O-])OCO2 603571953 FVZUZNCYWOYZQF-UHFFFAOYSA-N 435.364 4.301 5 20 IIBD O=C(Nc1nc(-c2c(F)cccc2F)cs1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 603739161 WDHWNFQAHJUHTF-UHFFFAOYSA-N 427.392 4.435 5 20 IIBD C[C@@H](c1nnc(SCCCOc2ccc([N+](=O)[O-])cc2)n1-c1ccc(F)cc1)N(C)C 603945575 ILXWJMVLYDAGLX-HNNXBMFYSA-N 445.520 4.498 5 20 IIBD COc1ccc(CNC(=O)c2ccccc2OCc2cn3cccc(C)c3n2)cc1[N+](=O)[O-] 604016547 GFDMKJKIFUEGTM-UHFFFAOYSA-N 446.463 4.069 5 20 IIBD COc1ccc(CNC(=O)[C@@H](C)Sc2ccc(Br)cc2)cc1[N+](=O)[O-] 604018572 XAZFVNWJRXEWJH-LLVKDONJSA-N 425.304 4.163 5 20 IIBD CN(C(=O)c1ccc([N+](=O)[O-])cc1I)[C@@H]1CCCc2ccccc21 604565791 YWIJIEGZOAIHJO-QGZVFWFLSA-N 436.249 4.349 5 20 IIBD CCc1cccc(Cc2cnc(NS(=O)(=O)c3ccc(OC)cc3[N+](=O)[O-])s2)c1 608928329 JXBKXJAAWRQZPW-UHFFFAOYSA-N 433.511 4.014 5 20 IIBD COc1ccc(CC(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)cc1[N+](=O)[O-] 609009996 NZDNKQURYFABJS-UHFFFAOYSA-N 435.267 4.336 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)cc([N+](=O)[O-])c1 609884927 JIYGLXPKDUJCER-UHFFFAOYSA-N 435.223 4.126 5 20 IIBD COc1ccc([C@@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)N2CCCCC2)cc1 610036566 XUMKBCSQBLUCQT-JOCHJYFZSA-N 425.529 4.224 5 20 IIBD C[C@@H](CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1cccc(C(F)(F)F)c1 610118291 PAWNOQAZDJKQCW-HNNXBMFYSA-N 449.429 4.092 5 20 IIBD COc1cc(C(=O)NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)cc([N+](=O)[O-])c1OC 610175088 YFXCAWHAQOUAMU-SFHVURJKSA-N 447.919 4.050 5 20 IIBD CN(Cc1ccccc1)CC(C)(C)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 611094327 GSPOHPWJPUPXPP-UHFFFAOYSA-N 439.434 4.176 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(OCc2ccccc2F)CC1 611266245 WYJQUIHVHQXFHS-UHFFFAOYSA-N 436.867 4.364 5 20 IIBD CC(C)c1ccc(CS(=O)(=O)C[C@H](O)COc2ccccc2[N+](=O)[O-])c(C(C)C)c1 612037446 IVXQCAIPICGSGU-LJQANCHMSA-N 435.542 4.196 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N1CCC(OCc2ccccc2F)CC1 618387729 IGLFAZGPNSDRSB-UHFFFAOYSA-N 443.294 4.379 5 20 IIBD CC(C)[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)N[C@@H]1CCCC[C@@H]1C 725985643 LXXWDJSJTJAWIF-VUCTXSBTSA-N 441.322 4.234 5 20 IIBD C[C@H](C(=O)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1c(Cl)cccc1Cl 726327058 UQOTYVIMJKNYPW-QMMMGPOBSA-N 437.688 4.164 5 20 IIBD O=C(C[C@@H](c1ccccc1)C(F)(F)F)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 729195647 QACPTFFPXGLXEJ-KRWDZBQOSA-N 437.418 4.486 5 20 IIBD C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1ccc(I)c([N+](=O)[O-])c1 730476226 WJTWVGUACAVXRA-SECBINFHSA-N 446.191 4.311 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCC(Cc2ccc(F)cc2)CC1 732026250 PRWIBBGXCRKQPL-UHFFFAOYSA-N 428.432 4.189 5 20 IIBD Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)OCc1nc2ccccc2c2ccccc12 733517485 VOSVGMLGLCCWAQ-XMMPIXPASA-N 441.466 4.349 5 20 IIBD C[S@@](=O)CCNC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2 735052320 WUIUERAMMIKGKT-PDCLBXTISA-N 449.532 4.128 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@H](N2CCCCC2=O)C1 735367832 CIETUWIXBQTINM-IBGZPJMESA-N 438.484 4.396 5 20 IIBD C[C@H]1c2ccc(F)cc2CCN1C(=O)c1ccc(I)c([N+](=O)[O-])c1 737697425 KNYQVNVWDADMDM-JTQLQIEISA-N 440.212 4.098 5 20 IIBD O=C(Cc1csc(-c2ccccn2)n1)OCc1ccc([N+](=O)[O-])cc1Br 739578077 GWBYHUYCUIIXTK-UHFFFAOYSA-N 434.271 4.162 5 20 IIBD Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1NC(=O)NC(C)(C)C 741052134 MGSJBTAKHOJZQR-CQSZACIVSA-N 442.472 4.007 5 20 IIBD O=C(c1cccc(F)c1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 742623884 MWPRVXBFFJLJFI-UHFFFAOYSA-N 431.773 4.369 5 20 IIBD Cc1ccc(F)cc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 744554261 OCGIUXQJMUGUCH-HNNXBMFYSA-N 429.448 4.217 5 20 IIBD O=C(O[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1c(Cl)cccc1[N+](=O)[O-] 744983698 OJQKXDBLZGYFDK-OAHLLOKOSA-N 440.786 4.202 5 20 IIBD COc1cc(Br)c(C=O)cc1Oc1ncc([N+](=O)[O-])cc1Br 749145399 ZHFXWEMWZHKAQU-UHFFFAOYSA-N 432.024 4.128 5 20 IIBD C[C@H](OC(=O)c1ccnc2ccccc12)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 750040074 CKHMWIAPSSRWMW-ZDUSSCGKSA-N 448.460 4.451 5 20 IIBD Cc1c(C(=O)N(C)CCCc2cc(-c3ccccc3)no2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 751152317 JCHOGCDTKALUHY-UHFFFAOYSA-N 438.440 4.480 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)C(=O)Nc1ccccc1Cl 751692054 ZIWQBWVVWJWMDU-QMMMGPOBSA-N 445.628 4.334 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CCC(c3ccc(F)cc3)CC2)cc1[N+](=O)[O-] 752060732 PNVBSYSDESIQSG-UHFFFAOYSA-N 441.488 4.033 5 20 IIBD O=C(N[C@@H](C[C@H]1CCOC1)c1ccccc1)c1cc(F)cc([N+](=O)[O-])c1Br 753758586 ACDPEVOJUHNGMN-WBMJQRKESA-N 437.265 4.394 5 20 IIBD C[C@H](Sc1ccccn1)C(=O)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 754222967 CZXCGZHYARWQJW-FUHWJXTLSA-N 443.525 4.099 5 20 IIBD COc1ccc(CSCC(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)cc1[N+](=O)[O-] 754394384 JOVOVQLUWQXCHU-NVXWUHKLSA-N 436.555 4.013 5 20 IIBD O=C(NCc1ccc(N2CCCCCC2)nc1)Nc1ccc(Br)c([N+](=O)[O-])c1 755024965 UPRSOUNCHLMVIA-UHFFFAOYSA-N 448.321 4.454 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@H](C)CSc1ccc(F)cc1 756731339 XDCVDOHGTHGBFA-OLZOCXBDSA-N 436.461 4.041 5 20 IIBD COc1cc(C(=O)N[C@@H]2CC3(CCC3)Oc3ccccc32)c([N+](=O)[O-])cc1OC(F)F 757811381 ACAOTNIKGLLCBZ-CQSZACIVSA-N 434.395 4.381 5 20 IIBD CC(=O)N(c1ccc(C)cc1)c1nc(COC(=O)c2cc([N+](=O)[O-])c(F)cc2N)cs1 758078242 GKKIBKUTEKXOHR-UHFFFAOYSA-N 444.444 4.123 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl 759776288 YAHLTODVSJQJAJ-KRWDZBQOSA-N 449.939 4.193 5 20 IIBD C[C@@H](NC(=O)NC[C@H](O)c1cccc(OCc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 760745517 YAFAPKFGDJUWRQ-HXOBKFHXSA-N 435.480 4.268 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](Cc1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1)c1ccccc1 761249186 JDJFDEMZZQBTFA-INIZCTEOSA-N 425.445 4.036 5 20 IIBD O=C(COC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)Nc1ccc(N2CCCCCC2)cc1 762900439 UBQIGSKNZDOYBF-UHFFFAOYSA-N 436.468 4.252 5 20 IIBD C[C@@H](OC(=O)COc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 763488892 QROVFXJETRFUSP-SNVBAGLBSA-N 446.765 4.216 5 20 IIBD CNc1c(C(=O)OCc2nnc(-c3c(-c4ccccc4)noc3C)o2)cccc1[N+](=O)[O-] 765520496 DKFQLTCHZLKFEN-UHFFFAOYSA-N 435.396 4.007 5 20 IIBD CC(=O)[C@H](Cc1ccccc1F)OC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 768595243 FYQVETANQKDGOB-KRWDZBQOSA-N 429.322 4.032 5 20 IIBD CN(C)[C@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)c1cccc(C(F)(F)F)c1 768921303 VVDUMAVWWLPHLH-GOSISDBHSA-N 438.406 4.285 5 20 IIBD O=C(Nc1ccc(-n2nccn2)cc1C(F)(F)F)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 768971477 ZNDYTYQIDJEFKH-UHFFFAOYSA-N 446.389 4.391 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)c1nc2ccccc2n1C(F)F 769886485 HDPUEKCGDALUJD-SNVBAGLBSA-N 444.847 4.341 5 20 IIBD O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)c1cc(Br)cc([N+](=O)[O-])c1 770988783 JVBDWBUYLPEULG-CQSZACIVSA-N 434.073 4.128 5 20 IIBD CSc1cccc(C(=O)OCC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)c1[N+](=O)[O-] 777079174 LKFKXZCSJBRMEM-ZDUSSCGKSA-N 428.466 4.439 5 20 IIBD C[C@H](OC(=O)c1cccc(Br)c1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1 780130503 CBLDAESCRCEVFS-VIFPVBQESA-N 427.638 4.195 5 20 IIBD CC(=O)Nc1ccc(C)c(C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 780263064 QJCCWJYYSNWHPQ-UHFFFAOYSA-N 433.420 4.333 5 20 IIBD O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)c1ccc2[nH]c3ccccc3c(=O)c2c1 780910915 JHWPBEIAFPAGLW-HXUWFJFHSA-N 427.287 4.452 5 20 IIBD Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)n1 781988952 CFRUKTWMILSLKF-INIZCTEOSA-N 437.456 4.116 5 20 IIBD Cc1nc(-c2ccc([C@H](C)NC(=O)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2)cs1 783295734 CCDKHZLFHMNOFI-NSHDSACASA-N 444.900 4.496 5 20 IIBD Cc1ccc(CN(C(=O)c2cc([N+](=O)[O-])ccc2N)c2ccc3c(c2)OCCO3)s1 786939369 OPPZOHKZJIFVLR-UHFFFAOYSA-N 425.466 4.165 5 20 IIBD C[C@](O)(CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1cccc(Cl)c1 787528187 PMYXYHBWITVMOL-QHCPKHFHSA-N 440.883 4.465 5 20 IIBD Cc1cnc(COC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)c(C)c1[N+](=O)[O-] 789446592 KNRZJMOICLHOOB-NRFANRHFSA-N 449.463 4.318 5 20 IIBD Cc1c(CNC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)cccc1[N+](=O)[O-] 791016970 LDKRVPDXFNAELS-QFIPXVFZSA-N 433.464 4.187 5 20 IIBD CSc1cccc(C(=O)NS(=O)(=O)c2c(Cl)ccc(C)c2Cl)c1[N+](=O)[O-] 793358199 USPPURJVYUUIIB-UHFFFAOYSA-N 435.310 4.051 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2C)cc([N+](=O)[O-])c1 793530960 RZHJKDFCTQHOJM-UHFFFAOYSA-N 429.429 4.289 5 20 IIBD CCC(=O)c1ccc(N(C)CC(=O)Nc2ccc(Br)cc2C)c([N+](=O)[O-])c1 795061902 OEUNDAUJNGBRMR-UHFFFAOYSA-N 434.290 4.333 5 20 IIBD O=[N+]([O-])c1nn(CN2CCC[C@@H]2c2ccc(Br)c(F)c2)cc1Br 797413085 HVGSGQNJFFLTQO-CYBMUJFWSA-N 448.090 4.250 5 20 IIBD Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1ccc(Cl)s1 799746935 SQZOSPRJSVCKQC-UHFFFAOYSA-N 439.740 4.201 5 20 IIBD CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 802663505 MXOVMCLUZPPWDG-QGZVFWFLSA-N 444.536 4.003 5 20 IIBD COc1ccc(-c2ocnc2C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 808643716 OWBZUTKIVMNVQW-LLVKDONJSA-N 445.815 4.096 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 809913665 RAMKGNBDCMEXIX-UHFFFAOYSA-N 441.246 4.031 5 20 IIBD O=C(NC[C@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1)OCc1ccccc1 809915621 ZPEGSTWSNBLBMZ-MRXNPFEDSA-N 446.891 4.419 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1cc2ccccc2s1 810362494 QENJZQWVPNOXIE-JTQLQIEISA-N 448.298 4.388 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])OCc1c(F)c(F)c(Br)c(F)c1F 810753357 RBYBKHOJJNQEAG-UHFFFAOYSA-N 438.127 4.036 5 20 IIBD C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] 815036196 SMVJDQMMGHAGNV-MGPLVRAMSA-N 449.287 4.191 5 20 IIBD CC(C)CNC(=O)N1CCC[C@@H](CC(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 815215368 VZSJJUKIMVBSES-AWEZNQCLSA-N 445.438 4.125 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@H](C)[C@H]2OCCc3sccc32)CC1 817052161 WJZBWMGUEKZYKI-QVKFZJNVSA-N 429.542 4.325 5 20 IIBD CCOC(=O)c1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c2ccccc2n1 821645501 BQFIKPLBDSEMND-UHFFFAOYSA-N 434.452 4.172 5 20 IIBD CN(C)c1cc(F)c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1[N+](=O)[O-] 821670507 HEPNTNQUAWBGLK-UHFFFAOYSA-N 431.405 4.084 5 20 IIBD COc1cc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1OC(C)C 914844761 XYFNTFPYZVIZIX-UHFFFAOYSA-N 430.504 4.267 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(OC(F)(F)F)cc1 916499425 UEYXKQOEJABOOY-OAHLLOKOSA-N 446.765 4.181 5 20 IIBD Cc1cc(N2CCCC2)ccc1NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 917728618 ZLZNZOBHUMGEGL-UHFFFAOYSA-N 440.319 4.067 5 20 IIBD Cc1nc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)sc1Cc1cccc(F)c1 917734936 NVGCYCNKKZNRNT-UHFFFAOYSA-N 425.445 4.078 5 20 IIBD Cc1ccc(-c2csc(NC(=O)[C@H]3CC(c4cccc(F)c4)=NO3)n2)cc1[N+](=O)[O-] 918557348 ARUUOAYCBRSGGJ-GOSISDBHSA-N 426.429 4.298 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccc(NC3CC3)nc2)c2ccccc2)c([N+](=O)[O-])c1 918760264 UERXVXPWAALMDX-QFIPXVFZSA-N 446.463 4.409 5 20 IIBD CSc1ccc(C(=O)OCC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] 918816349 PSUJTIVIZNCYJT-UHFFFAOYSA-N 443.308 4.439 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 918862091 XVCUYPJFTLMICW-AIIPKAINSA-N 442.471 4.326 5 20 IIBD Cc1ccc(S(=O)(=O)N(C(=O)c2ccc(C)c([N+](=O)[O-])c2)c2ccc(O)cc2)s1 920152637 VSLBGORKFFNINH-UHFFFAOYSA-N 432.479 4.014 5 20 IIBD C[C@H](OC(=O)CNc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 920605153 XBNQFARDILZCLU-RYUDHWBXSA-N 440.283 4.123 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2csc(-c3ccccc3F)n2)cccc1[N+](=O)[O-] 920729669 QALXHMKKNZRNJN-GFCCVEGCSA-N 429.429 4.350 5 20 IIBD O=C1OC(c2ccc(Br)s2)=N/C1=C/c1cc([N+](=O)[O-])ccc1OC(F)F 920832159 OAPXWOLJZBZUTQ-RMKNXTFCSA-N 445.197 4.365 5 20 IIBD O=C(COC(=O)CCCOc1cccc(Cl)c1Cl)Nc1ccc(F)c([N+](=O)[O-])c1 921222498 JNFWMENXZGSLBF-UHFFFAOYSA-N 445.230 4.382 5 20 IIBD Cn1ccnc1[C@@H](O)C1CCN(Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 1116443855 KUIYOBGOEBVDAS-FQEVSTJZSA-N 430.892 4.187 5 20 IIBD CS(=O)(=O)N1CCN(C(=O)c2c3ccccc3cc3ccccc23)Cc2ccccc21 1319716058 CLNKAIRYKZYTNA-UHFFFAOYSA-N 430.529 4.415 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)c(Br)c(C)n1 1319973320 KYADXKTXWUYFLP-UHFFFAOYSA-N 440.319 4.360 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NC1(C2CC2)CCOCC1 1320584333 LGWOZTHCKUTYGT-UHFFFAOYSA-N 446.507 4.065 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(OCC(F)(F)F)n1 1324853246 OXCRFEAPXRLDSP-UHFFFAOYSA-N 429.420 4.363 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(Cl)cc3C(N)=O)cc2[N+](=O)[O-])C1 1335915309 WKSQMJMSRWOIOP-BETUJISGSA-N 430.892 4.082 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3cccc4c3OCC4)CCC2)cc1)c1ccc([N+](=O)[O-])o1 1785748854 LZHKNBOVVOWBCP-UHFFFAOYSA-N 447.447 4.184 5 20 IIBD Cc1nocc1C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3F)CCC2)cc1 1787461807 NETDDDQPFXLDBP-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3cnc(Cl)s3)cc2)CCC1)c1ccc([N+](=O)[O-])[nH]1 1789862665 RIKDOQXSWAHFGI-UHFFFAOYSA-N 445.888 4.094 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccccc4[N+](=O)[O-])cc3)CCC2)no1 1792315557 APVYYWOGTPZURJ-KPKJPENVSA-N 446.463 4.352 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])o1)c1cc2sccc2s1 1792398689 YWBFTWYQMFVSNU-ZSBIGDGJSA-N 431.495 4.030 5 20 IIBD Cc1ccc(Cl)c(OCC(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 9446878 VZOPRRYGBCGPBM-LLVKDONJSA-N 427.240 4.159 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nc2ccc([N+](=O)[O-])cc2s1 10592253 XULNOMYZWXFGLV-SECBINFHSA-N 434.455 4.241 5 20 IIBD COc1cc(C(=O)OCc2ccc(C(=O)Nc3ccccc3)cc2)c([N+](=O)[O-])cc1OC 10620633 JSBXFZQWYJCNOY-UHFFFAOYSA-N 436.420 4.221 5 20 IIBD COc1ccc(OCC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)c([N+](=O)[O-])c1 11575597 UUFYTTXZKDBFSR-UHFFFAOYSA-N 449.179 4.402 5 20 IIBD CS(=O)(=O)c1cccc(NC(=O)COC(=O)c2c3ccccc3cc3ccccc23)c1 15798005 JQOOGYQATBMEJR-UHFFFAOYSA-N 433.485 4.192 5 20 IIBD CCc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 16640198 FJLMGFVQADTOND-UHFFFAOYSA-N 425.466 4.210 5 20 IIBD O=C(COC(=O)Cc1csc(-c2cccs2)n1)Nc1ccc([N+](=O)[O-])cc1Cl 17935219 YQOJJBKEFGRACD-UHFFFAOYSA-N 437.886 4.158 5 20 IIBD CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 19161234 SGSMABRSAXJKND-UHFFFAOYSA-N 445.884 4.326 5 20 IIBD CCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nc2cc3ccccc3cc2c1=O 22177896 KXWILQAYJULNHO-UHFFFAOYSA-N 447.516 4.087 5 20 IIBD C[C@@H](Sc1nnc(COc2ccccc2Cl)n1C)C(=O)Nc1cccc([N+](=O)[O-])c1 24466490 JTKJPNXOZOJSCW-GFCCVEGCSA-N 447.904 4.075 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccc(C(=O)NC(C)(C)C)cc3)cc2)c(C)c1[N+](=O)[O-] 31072586 HOONBOOAAVQKPQ-UHFFFAOYSA-N 449.511 4.237 5 20 IIBD O=C(NCc1ccc(NC(=O)c2ccco2)cc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 64906024 CSHDFVORIWRCPC-UHFFFAOYSA-N 448.460 4.494 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 115601454 PERQGQWRYYWHGO-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD CC(C)(C)OC1CCN(c2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])CC1 301633727 KEKIBSKHEVLRJZ-UHFFFAOYSA-N 433.530 4.180 5 20 IIBD CC[C@@H](Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-])c1c(C)noc1C 301842369 ZUHUBSSGDIFVQC-QGZVFWFLSA-N 436.534 4.328 5 20 IIBD O=C(c1ccc(Cl)cc1)N1CCCN(c2ccc([N+](=O)[O-])cc2OC(F)F)CC1 302179729 YUWPESXVARAIKF-UHFFFAOYSA-N 425.819 4.202 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)[C@H]1C[C@H]1c1c(F)cccc1F)c1ccccc1[N+](=O)[O-] 303677409 JDKRCSVJLBBQIK-VKJFTORMSA-N 432.423 4.176 5 20 IIBD CN(C)[C@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1c(F)cccc1F 303721672 RRMLRWWBHGIPBW-QGZVFWFLSA-N 432.452 4.029 5 20 IIBD CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)c1ccc(CC)c([N+](=O)[O-])c1 427460916 WJDLBLDXQFVGLV-UHFFFAOYSA-N 425.485 4.434 5 20 IIBD Cc1noc(C[C@H](Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)c2ccccc2)n1 428683448 SGNVVNDSEINUTR-IBGZPJMESA-N 431.452 4.656 5 20 IIBD Cc1ccc([C@H](C)NC(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2C)cc1[N+](=O)[O-] 428891772 YAFZCOGGOSVJQN-HNNXBMFYSA-N 448.545 4.171 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3c(C)nsc3C)cc2)cc1[N+](=O)[O-] 431283137 YEQMLQNDPLMRAT-UHFFFAOYSA-N 446.510 4.030 5 20 IIBD O=C(Nc1ccc(Oc2cccc(F)c2)cc1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 431758320 FMHASOHRZRVUNZ-UHFFFAOYSA-N 449.394 4.432 5 20 IIBD CN(C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1nc2cc(Cl)ccc2s1 435973064 PWHYHZUWSPSMKO-UHFFFAOYSA-N 446.872 4.209 5 20 IIBD C[C@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 436126590 FCRRNEMROCSSMJ-QLFBSQMISA-N 427.495 4.056 5 20 IIBD CC1(C)CCCCN(C(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 438384642 JMXZBCPTAZVXGR-UHFFFAOYSA-N 431.514 4.048 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N(C)[C@@H](C)c2c(F)cccc2F)cc1[N+](=O)[O-] 439247941 PHLXNRBHVQEYPT-JTQLQIEISA-N 449.273 4.326 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCC1(c2ccc(C(F)(F)F)cc2)CC1 444536134 YJOARFPEMUTWJT-UHFFFAOYSA-N 445.397 4.389 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnn1-c1ccc(Br)cn1 448545349 ZEVIVLUIXGSINF-AWEZNQCLSA-N 444.289 4.145 5 20 IIBD COc1ccc([C@H](Cc2ccccc2)NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)cc1 461082863 CEJKZCRLSXLAEA-FQEVSTJZSA-N 436.464 4.334 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 462403341 QYPJRRYXQWZHTQ-CVDCTZTESA-N 425.529 4.125 5 20 IIBD COc1cc(CSc2nnc(-c3ccncc3)n2CC(F)(F)F)c([N+](=O)[O-])cc1F 463431419 RRKNUIPSVUPXFH-UHFFFAOYSA-N 443.382 4.251 5 20 IIBD Cc1ccc2c(C3=CCN(C(=O)Cc4cc5c(cc4[N+](=O)[O-])OCCO5)CC3)c[nH]c2c1 465020888 LHRSYKUNPZYETA-UHFFFAOYSA-N 433.464 4.014 5 20 IIBD COc1cccc(Oc2ccc(NC(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)cc2)c1 465073885 JQCOYYORNWDBGP-UHFFFAOYSA-N 436.420 4.348 5 20 IIBD Cc1ccc([C@@H]2OCCC[C@@H]2NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 467795775 CPFZMZIPYRODSK-RDJZCZTQSA-N 445.324 4.409 5 20 IIBD Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 468164980 QHPNLUBHUFDWPW-OAHLLOKOSA-N 442.541 4.112 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])N1CCSC[C@H]1c1cccc(C(F)(F)F)c1 472254717 GAFUCRLHCQZZBG-INIZCTEOSA-N 426.416 4.309 5 20 IIBD CNC(=O)c1cc2cc(NC(=O)c3ccc(N4C[C@H](C)C[C@@H](C)C4)c([N+](=O)[O-])c3)ccc2[nH]1 473561179 LLNAIDXZFRXCQX-HUUCEWRRSA-N 449.511 4.170 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(N2C(=O)CCCC2=O)c1 473641776 BYPRBLYTSBXCSB-UHFFFAOYSA-N 427.482 4.393 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CCN(Cc2ccc(Br)cc2)CC1 474330159 NPQUFPDFFKMSAP-UHFFFAOYSA-N 433.306 4.143 5 20 IIBD COC(=O)COc1ccc(CNC(C)(C)c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 474354789 KPTXFYGMDZAIHN-UHFFFAOYSA-N 427.284 4.478 5 20 IIBD Cc1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1N1C(=O)CNC1=O 475568426 ANDNMTIJFZJXBJ-UHFFFAOYSA-N 440.843 4.485 5 20 IIBD COc1cc(NC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)ccc1NC(N)=O 475720358 CJWDPMPMGHOHGN-UHFFFAOYSA-N 432.502 4.485 5 20 IIBD C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(Br)cn1 477798641 UHYIVDNEVOYWLR-MRVPVSSYSA-N 429.068 4.006 5 20 IIBD CCOC(=O)c1ccnc(NC(c2cccc(OC)c2)c2cccc(OC)c2)c1[N+](=O)[O-] 479444116 HPFCYJIXSCMCGL-UHFFFAOYSA-N 437.452 4.385 5 20 IIBD O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 479799002 ALRJKINELYNSCC-YTTGMZPUSA-N 446.488 4.341 5 20 IIBD COc1cc(CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)ccc1OCCC(C)C 481289596 WYSASGFQHDJFBZ-UHFFFAOYSA-N 438.484 4.144 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F 482376199 FBOORGFGXVPHSP-OAHLLOKOSA-N 449.332 4.308 5 20 IIBD O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 484769075 IQDUYAINRSAQRP-UHFFFAOYSA-N 427.829 4.273 5 20 IIBD O=c1cc(CSc2ccc(Br)cc2[N+](=O)[O-])nc2ccc(Cl)cn12 485259131 AALIOINGVSEREF-UHFFFAOYSA-N 426.679 4.311 5 20 IIBD Cc1cc(C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)c(C)n1C 485260920 YOYXRTZEOYWVGW-UHFFFAOYSA-N 438.553 4.237 5 20 IIBD COC(=O)c1c(Br)ccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1C 486740970 XEPDPBAGRGBYBX-UHFFFAOYSA-N 448.273 4.043 5 20 IIBD C[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCN(Cc2ccccc2)C1 487407179 RQIXZAQRZITCHD-QFBILLFUSA-N 436.537 4.359 5 20 IIBD CCC(C)(C)OCc1cccc(NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)c1C 488817909 NMXIINXMSUVRFB-UHFFFAOYSA-N 434.514 4.264 5 20 IIBD O=C(Nc1cccc(-c2noc(C(F)(F)F)n2)c1)c1ccc([N+](=O)[O-])c2cccnc12 490252575 QSDKTSGSPFTWSA-UHFFFAOYSA-N 429.314 4.464 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)COc2ccc(C(C)(C)C)cc2)cc1OC 490265395 ZWFOMWVTLPBHCG-HNNXBMFYSA-N 430.501 4.497 5 20 IIBD C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CCN(CCC(C)(C)C)CC1 494799674 LLUOMVKIIRGCML-MRXNPFEDSA-N 445.589 4.099 5 20 IIBD COc1cc(C)ccc1Oc1ccc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])cn1 499158389 AGHLYKDQXQSEAZ-UHFFFAOYSA-N 443.481 4.084 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cc(F)ccc1OC[C@H]1CCCO1 502348431 ZEOYXVCMMMBJSI-GOSISDBHSA-N 446.478 4.490 5 20 IIBD CCOC[C@@H]1CCCN(c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])C1 505791996 APVOFHQXRQZAGY-GOSISDBHSA-N 447.557 4.265 5 20 IIBD Cc1csc(-c2ccc(NC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)cc2)n1 506058277 MQNBTZIJTLRLKS-UHFFFAOYSA-N 438.465 4.354 5 20 IIBD COc1cc(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)c(C)cc1C 510774692 XGFLEIVAMSSPSL-UHFFFAOYSA-N 440.237 4.386 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@@H](n2ncc3ccccc32)C1 511724767 YXAICYOIZYWUHF-MRXNPFEDSA-N 447.417 4.239 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCc1cc2cc(Br)ccc2[nH]1 511855255 WJDGNXGNFUHIHI-UHFFFAOYSA-N 431.290 4.223 5 20 IIBD CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)s1 513039445 AOQYLYBHZXNIDL-STQMWFEESA-N 429.502 4.022 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 514059747 VJZJSCLSWQPSMU-JOCHJYFZSA-N 425.485 4.093 5 20 IIBD COc1cc(OCC(=O)Nc2nc(C)c(Cc3ccc(C)cc3)s2)ccc1[N+](=O)[O-] 519976464 AUEMYKOLIAKISZ-UHFFFAOYSA-N 427.482 4.285 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N[C@H](C(=O)O)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 520325184 YZGYAUGVYJKFOZ-HWPZZCPQSA-N 426.256 4.396 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](C)c1nc(-c2ccncc2)cs1 521134740 HEDVOHPOMXQNHB-VXGBXAGGSA-N 432.889 4.411 5 20 IIBD COc1cc(CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C2CC2)ccc1OC(F)F 521199547 ZEHKBLXBQZWDLK-UHFFFAOYSA-N 435.427 4.122 5 20 IIBD CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)n2)cc1 521384883 PSBJIYFVWLREGX-UHFFFAOYSA-N 448.464 4.115 5 20 IIBD C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 522052387 UTVUBFHYCAAQBZ-HNNXBMFYSA-N 436.434 4.076 5 20 IIBD O=C(NCc1cc(F)cc2c1OCOC2)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 523278726 VRQFQVVXIKOFEA-UHFFFAOYSA-N 437.427 4.143 5 20 IIBD Cc1cc(NC(=O)[C@H](C)Oc2cccc(Br)c2)n(-c2ccc([N+](=O)[O-])cc2)n1 525136184 XSTRADFGYIEJJE-ZDUSSCGKSA-N 445.273 4.257 5 20 IIBD COc1cc(COc2ccccc2C(=O)N2CCCCC2)c([N+](=O)[O-])cc1OC(F)F 531106088 YAGMRLIXKRWUOY-UHFFFAOYSA-N 436.411 4.410 5 20 IIBD C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 531717628 REOUCWKXTDZSKG-IAGOWNOFSA-N 447.495 4.310 5 20 IIBD CN(C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1cccc([N+](=O)[O-])c1 533606017 GOVQLMNMUNJMGT-AWEZNQCLSA-N 436.295 4.417 5 20 IIBD COc1ccc(-c2nc(Cc3noc(Cc4c[nH]c5ccc([N+](=O)[O-])cc45)n3)co2)cc1 534671301 PCDFZFVGXFGULA-UHFFFAOYSA-N 431.408 4.304 5 20 IIBD CCc1ccccc1NC(=O)[C@@H](C)[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534796114 HIVCGUCVXKRVTR-ILHIWHGASA-N 427.482 4.088 5 20 IIBD CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCN(c2ccccc2Cl)C1=O 535566781 LQUBLSPZYFZYRX-IBGZPJMESA-N 426.860 4.141 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1 535684027 RPOFFSYQRIMNTI-UHFFFAOYSA-N 441.193 4.376 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)cc1 538752958 YTXIMHJEEJJJFK-QGZVFWFLSA-N 447.557 4.042 5 20 IIBD COCCOc1c(Cl)cc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1Cl 539142914 OPIZAFGSCHJHCP-UHFFFAOYSA-N 445.255 4.196 5 20 IIBD COc1ccc(Br)cc1CN(C)C(=O)CCOc1cc(C)ccc1[N+](=O)[O-] 539521281 ZMKWGESUUHPDAB-UHFFFAOYSA-N 437.290 4.102 5 20 IIBD CCOc1cc(NC(=O)N2CCC(Cc3cccnc3)CC2)c([N+](=O)[O-])cc1OCC 540048799 XRSLMJHJFBNPGE-UHFFFAOYSA-N 428.489 4.274 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccccc2C[S@](C)=O)cc1[N+](=O)[O-])c1ccccn1 545817827 XBZCBYNBTNUCGA-IWAYBZMOSA-N 438.509 4.294 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(Cc3cc(Br)c4c(c3)OCCCO4)no2)c1 546383909 WLLPWTGLTBNBIV-UHFFFAOYSA-N 432.230 4.159 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 546799522 VHGQILFDYZUBFP-HXUWFJFHSA-N 435.505 4.328 5 20 IIBD COc1ccc(Cc2noc(-c3cc(F)cc([N+](=O)[O-])c3)n2)c(Br)c1OC 547073150 UGCWXZVEZHZITF-UHFFFAOYSA-N 438.209 4.154 5 20 IIBD COc1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc(Br)c1OC 550179244 VLRCQIHELHASLQ-UHFFFAOYSA-N 437.290 4.425 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccco1)N1CCCCC1 550263246 GKVYCASLMZZMEO-KRWDZBQOSA-N 436.306 4.216 5 20 IIBD CN1CCC(Oc2ccc(CNc3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)cc2)CC1 553591897 YDVBGGIZQMMVCR-UHFFFAOYSA-N 448.523 4.654 5 20 IIBD C[C@H](C(=O)NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)c1cccc([N+](=O)[O-])c1 555066008 AXBGFKLGZGUAOG-LBPRGKRZSA-N 434.374 4.170 5 20 IIBD Cc1ccc(CNC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c(OC(C)C)c1 560187994 CVFCXZWAUFODCC-UHFFFAOYSA-N 427.501 4.243 5 20 IIBD Cc1cccc([C@@H](c2noc(CSc3ccc(C(N)=O)cc3[N+](=O)[O-])n2)C(C)C)c1 577542136 JOMNGNVEHPKSBU-IBGZPJMESA-N 426.498 4.465 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2c2nc(-c3cc(O)nc4ccccc34)no2)ccc1[N+](=O)[O-] 579527243 KZAMPWLENSPEKT-IBGZPJMESA-N 445.435 4.184 5 20 IIBD NC(=O)c1cccc(Cc2noc(-c3ccccc3Sc3ccccc3[N+](=O)[O-])n2)c1 581037123 QVZKTMISFCJQIE-UHFFFAOYSA-N 432.461 4.486 5 20 IIBD CCOc1cc(C(=O)NC[C@H](Cc2ccccc2)C(F)(F)F)c([N+](=O)[O-])cc1OC 589472048 WPNVHVFZFLIFQE-AWEZNQCLSA-N 426.391 4.153 5 20 IIBD O=C(Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1n[nH]c2ccc([N+](=O)[O-])cc12 603595491 MLGQRXMVXTVDPA-UHFFFAOYSA-N 431.380 4.448 5 20 IIBD Cc1ccc(CN(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C2CC2)o1 603748569 IGEYCMCWMBVNCN-UHFFFAOYSA-N 426.395 4.301 5 20 IIBD CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 603929095 QLEAYWZJDYIIKC-HXUWFJFHSA-N 440.496 4.193 5 20 IIBD Cc1sc(NC(=O)[C@H](NC(=O)c2cccs2)C(C)C)nc1-c1cccc([N+](=O)[O-])c1 603997018 MTYDMTRUMBUVLA-MRXNPFEDSA-N 444.538 4.481 5 20 IIBD Cc1cccc(OC[C@@H](O)CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)c1 604419156 WLBCAQSDOVKNID-IBGZPJMESA-N 426.444 4.364 5 20 IIBD CC(C)(C)Oc1ccc(CNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)cc1 604439449 AJSCBVMSJUOQBL-UHFFFAOYSA-N 433.530 4.169 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCc2[nH]c3c(Br)cccc3c2C1 609197638 XVXHFHZVBWOVHR-UHFFFAOYSA-N 443.301 4.144 5 20 IIBD Cc1ccc(C(=O)N[C@@H](CC(=O)NCCc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 609228464 VOXBSRQHTPMGDV-QHCPKHFHSA-N 431.492 4.123 5 20 IIBD COc1ccc(CSCC(=O)Nc2nnc(Cc3ccccc3F)s2)cc1[N+](=O)[O-] 609375768 BCUQPBAZQBVZTK-UHFFFAOYSA-N 448.501 4.057 5 20 IIBD COc1ccc(N(C(C)C)S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1F 609465471 YBBNDEOTQOKUKX-UHFFFAOYSA-N 447.282 4.109 5 20 IIBD C[C@@H](NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1nc2ccccc2n1C(F)F 609547332 HDKPGYYAXSPLFH-SNVBAGLBSA-N 427.367 4.084 5 20 IIBD C[C@@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc2ccccc2n1C 609839109 JZSIYAZAGBLHHS-GFCCVEGCSA-N 435.406 4.180 5 20 IIBD COC(=O)c1sc2ccccc2c1CNC(=O)c1ccc([N+](=O)[O-])cc1Br 610063817 GXOREMNDABTWGZ-UHFFFAOYSA-N 449.282 4.289 5 20 IIBD Cc1ccc(NCCCNC(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)c([N+](=O)[O-])c1 610095521 XJWIWTDWSZIMOH-QGZVFWFLSA-N 446.479 4.224 5 20 IIBD CC(C)(NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C(=O)NCC1CCCC1 610927326 XTPJBHSRLDXHMQ-UHFFFAOYSA-N 438.528 4.022 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC(OCc2ccccc2F)CC1 611262084 UMXJXCUPSKFZAF-UHFFFAOYSA-N 441.503 4.158 5 20 IIBD Cc1ccc(-n2c(Sc3ncnc4ccc([N+](=O)[O-])cc34)nnc2N2CCCC2)cc1 611699378 AWESZJLSRBJBAH-UHFFFAOYSA-N 433.497 4.179 5 20 IIBD COC(=O)c1ccc(OCc2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1[N+](=O)[O-] 613110115 GUCWZKSSLUMANO-UHFFFAOYSA-N 441.465 4.410 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])c(C2CC2)n1)c1cc(Br)sc1Br 618146351 DJIIHDISMNSZQP-UHFFFAOYSA-N 435.097 4.138 5 20 IIBD O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 681971152 DMUZHQLPUVLYND-FQEVSTJZSA-N 425.532 4.323 5 20 IIBD CC(C)[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)N1C[C@H](C)C[C@@H](C)C1 725985399 IAKAQAZALHTGAU-XNJGSVPQSA-N 441.322 4.043 5 20 IIBD CC(C)c1nc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cs1 726687877 LFOQXOMBKBEOGV-SECBINFHSA-N 431.392 4.378 5 20 IIBD CC(C)(C)c1ccc(C(=O)OCc2nc(-c3ccc4c(c3)OCO4)no2)cc1[N+](=O)[O-] 726809711 ZJJNXRNNUCSOGX-UHFFFAOYSA-N 425.397 4.028 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1 726916230 OIQFQGVGJVZMBB-PVABEOQZSA-N 431.851 4.420 5 20 IIBD C[C@@H](OC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)N(C)Cc1nc2ccccc2s1 730643093 HRTQEVCKBWVBEI-LLVKDONJSA-N 433.873 4.062 5 20 IIBD C[C@@H](OC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)Nc1ccc(N2CCCCC2)cc1 730645786 REWIFYBUOIEXGZ-CQSZACIVSA-N 431.876 4.423 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])c(F)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 731518370 KFFXJYLTAJTOCH-HNNXBMFYSA-N 438.411 4.497 5 20 IIBD CN(C(=O)COC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H](c1ccccc1)c1ccc(F)cc1 731528314 ZODYUNOSACBNGV-QFIPXVFZSA-N 440.402 4.278 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccc(-c3nc(Cc4ccccc4)no3)cc2)c1 731791401 ZNRJVLBHRLGULV-UHFFFAOYSA-N 437.433 4.003 5 20 IIBD O=C(Nc1ccccc1F)Nc1cccc2c1CCN(c1ccc([N+](=O)[O-])c3nonc13)C2 732050019 IMEXFCFAINQCAG-UHFFFAOYSA-N 448.414 4.477 5 20 IIBD Cc1cc(C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c(N)c([N+](=O)[O-])c1 732300274 IZJMWVYAQYQOPB-UHFFFAOYSA-N 426.473 4.031 5 20 IIBD C[C@H](Oc1ccc(F)cc1Cl)C(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 733689306 VIFWMCOLUGKZMU-ZDUSSCGKSA-N 437.855 4.009 5 20 IIBD COc1cc(N2CCC(OC(=O)c3c(-c4ccccc4)noc3C)CC2)ccc1[N+](=O)[O-] 739380362 MVUVGKOIKKJSGL-UHFFFAOYSA-N 437.452 4.393 5 20 IIBD C[C@H](NC(=O)COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 740391989 PGKYLEHBHYMOAI-ZDUSSCGKSA-N 449.301 4.056 5 20 IIBD CN(CC1(c2ccc(Br)cc2)CC1)c1ccc([N+](=O)[O-])cc1N1CCOC1=O 742409380 AYLDPIPZAJNMPF-UHFFFAOYSA-N 446.301 4.482 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[C@@H]1SCCc2sccc21 744354430 UOBGWGSXVUMXFM-GOSISDBHSA-N 444.538 4.474 5 20 IIBD CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 744365135 HMRGLFUOGYCIAC-SFHVURJKSA-N 433.427 4.283 5 20 IIBD C[C@H](CC(=O)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1C(F)(F)F 745216733 MNAFZYZLJFTKEW-CYBMUJFWSA-N 436.386 4.240 5 20 IIBD C[C@@H](OC(=O)c1cc(C2CC2)nc2ccc(F)cc12)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 745593203 GOKQPBGHSDXKEG-LLVKDONJSA-N 441.390 4.483 5 20 IIBD C[C@@H](OC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 745743577 QSNKWWIJXKLVIW-JDNHERCYSA-N 445.230 4.035 5 20 IIBD Cc1c(C(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748612773 DGFBASYAUMAIMI-KRWDZBQOSA-N 443.847 4.026 5 20 IIBD O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)C1(c2ccccc2F)CCCC1 750428494 QNYUADPTPNDOOC-UHFFFAOYSA-N 427.476 4.401 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 750583118 LIOPAXCMZACMHB-UHFFFAOYSA-N 440.637 4.117 5 20 IIBD Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 753045450 FFWUNSYNZWOYFM-QFBILLFUSA-N 444.329 4.422 5 20 IIBD COc1cc(N)c([N+](=O)[O-])cc1C(=O)OCc1cc(-c2c(OC)ccc3ccccc23)no1 753456307 ZPZCEHLWRNJFBY-UHFFFAOYSA-N 449.419 4.359 5 20 IIBD O=C(Nc1ccccc1)C1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 755027899 FIRINOJAYITHAB-UHFFFAOYSA-N 447.289 4.240 5 20 IIBD C[C@@H](CCn1cccn1)OC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 755807114 KUANZCNFROEIBY-AWEZNQCLSA-N 440.422 4.049 5 20 IIBD Cc1c(C(=O)Nc2cnc(Cl)c(Br)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 759155411 CAKGHAVBEMOWGM-UHFFFAOYSA-N 429.614 4.183 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N[C@@H](C)C[C@@H](O)c2ccco2)c([N+](=O)[O-])c1 764166793 QRDDOCLLDSYSEG-VBKZILBWSA-N 438.436 4.130 5 20 IIBD CCOC(=O)Nc1ccc(Br)cc1NC(=O)c1cc([N+](=O)[O-])ccc1OC 764544595 OJDVGERAIPEWPK-UHFFFAOYSA-N 438.234 4.187 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCO[C@H](c3cccc(F)c3)C2)c1=S 764965859 YNCFJDCLLANFGT-IBGZPJMESA-N 443.504 4.179 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](O)c2ccc(-c3ccccc3)cc2)cc1OC 768554506 QVTYIDMHCCJPPA-OAQYLSRUSA-N 436.464 4.133 5 20 IIBD CCOc1c(Cl)cc(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC 769386983 CSTMZUIEAIHOSH-UHFFFAOYSA-N 433.804 4.063 5 20 IIBD O=[N+]([O-])c1ccccc1-c1ccc(CN2CCn3c(CCc4ccccc4)nnc3C2)o1 769490476 VOZVGIPKMSASCB-UHFFFAOYSA-N 429.480 4.247 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 770155797 GJEROFWWFBJQEK-SNVBAGLBSA-N 441.665 4.045 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Oc1ccc([N+](=O)[O-])c2ncccc12 770219698 HPNXBIVGMPPOBK-UHFFFAOYSA-N 443.315 4.137 5 20 IIBD Cn1c(COC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)nnc1-c1ccc(Cl)cc1 770420739 PQVYQDCVCKGFEK-UHFFFAOYSA-N 438.774 4.002 5 20 IIBD CC(C)c1nc2ccccc2n1Cc1noc(-c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)n1 771305565 DPMUMGIABYCPLW-UHFFFAOYSA-N 429.440 4.352 5 20 IIBD O=C(Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)c1cccc(Cl)c1[N+](=O)[O-] 772223208 PKLIUGCZSOHPQX-INIZCTEOSA-N 425.876 4.144 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 772472234 XUPCSLUBFGQCPY-UHFFFAOYSA-N 449.850 4.321 5 20 IIBD Cc1cccc(O[C@H]2CCCC[C@@H]2NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 772545757 UCMMARLCYQLVPZ-HKUYNNGSSA-N 431.876 4.002 5 20 IIBD Cc1c(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 774921995 GFBJTIZCDSUQSL-UHFFFAOYSA-N 437.796 4.375 5 20 IIBD O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(C(F)(F)F)cc1Cl 775103459 FHVCRWWKHGNSEK-OAHLLOKOSA-N 428.750 4.229 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 775173468 RWEQSWTYZYKWBC-ZDUSSCGKSA-N 433.390 4.189 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(C[C@@H](O)c3ccc(Cl)cc3)n2)c(Br)c1 777736150 PEVPULCOMBBMGZ-OAHLLOKOSA-N 438.665 4.261 5 20 IIBD O=C(COC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccccc1)c1cccs1 778169015 HEYLUXNMFYNESI-IBGZPJMESA-N 446.431 4.197 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc(CC(=O)O[C@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)c1 778785331 GNRMRRJQMNCCFP-FQEVSTJZSA-N 441.484 4.306 5 20 IIBD COc1cc([C@@H](C)NCCc2ccc(Cl)cc2[N+](=O)[O-])ccc1S(=O)(=O)C(F)F 779174995 FLLLUCBTXXCDCG-LLVKDONJSA-N 448.875 4.146 5 20 IIBD CCC[C@@H](NC(=O)COC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccccc1 781260453 PDCIKZKJRUUGDZ-OAQYLSRUSA-N 428.488 4.496 5 20 IIBD Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 781267411 HNPBUANBWIXPEF-IAGOWNOFSA-N 428.488 4.412 5 20 IIBD Cc1c(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cnn1C1CCCCC1 781305672 BYDUPOYTKUGGLC-CYBMUJFWSA-N 434.880 4.442 5 20 IIBD C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 783344172 XCYWCPFLVVFJGB-VIFPVBQESA-N 430.675 4.241 5 20 IIBD CC(C)(C)OC(=O)N1CCC(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 783946595 UTMUCHJCMUAPEI-UHFFFAOYSA-N 443.953 4.104 5 20 IIBD O=C(CSc1cc(Cl)ccc1Cl)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 784474148 HCJFIIFQWFAAHJ-UHFFFAOYSA-N 441.292 4.126 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 785381650 QNEGMIHPUVPNOZ-SECBINFHSA-N 447.753 4.259 5 20 IIBD O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)c1cc(Cl)ccc1[N+](=O)[O-] 789316518 MPWPOCFIPUJKSY-CQSZACIVSA-N 442.686 4.480 5 20 IIBD Cc1cnc(COC(=O)c2nc(C)n(-c3c(Cl)cccc3Cl)n2)c(C)c1[N+](=O)[O-] 789442832 LQQUWINYILKMPP-UHFFFAOYSA-N 436.255 4.160 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC(Nc2cccc(Br)c2)CC1 790213994 AKCUEHQVHJZNKB-TWGQIWQCSA-N 430.302 4.474 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)c1F 790568315 LFEHGZVLAOVUQI-NRFANRHFSA-N 435.455 4.046 5 20 IIBD Cc1cc(C)c(OC(=O)c2nc(Br)ccc2Br)c([N+](=O)[O-])c1 792524965 NDZIXGSWPKOQSZ-UHFFFAOYSA-N 430.052 4.351 5 20 IIBD C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 793591776 SVVPEPPYNZQSKP-KUHUBIRLSA-N 447.417 4.292 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccc(NC(=O)c2ccccc2)cn1 794203359 QYXNMEYEALHHDT-UHFFFAOYSA-N 428.807 4.216 5 20 IIBD O=C(NCc1nc(-c2ccccc2)n[nH]1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 799598054 SEWBZPUWXCBQGN-UHFFFAOYSA-N 431.477 4.461 5 20 IIBD CC[C@H](C)c1nnc(N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)n1CC 801996687 FEQCHTURGAIOJU-ZDUSSCGKSA-N 426.443 4.065 5 20 IIBD COc1ccc(-c2ocnc2C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 808643225 VBJJWNSUSQWQOD-LLVKDONJSA-N 445.815 4.096 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)O[C@@H]1CCN2CCC[C@H]2C1 810850118 JTGDVDXWAIUUNA-XZOQPEGZSA-N 446.507 4.160 5 20 IIBD O=C(COC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])Nc1ccccc1OC(F)F 811375497 DDOWKWHXFJYFFE-UHFFFAOYSA-N 435.166 4.299 5 20 IIBD CC(C)(NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1O)c1ccccc1[N+](=O)[O-] 817038121 RNPQSFKYLLAEHS-UHFFFAOYSA-N 441.362 4.076 5 20 IIBD O=C(NCc1cccc(Oc2ccccc2)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 915782011 RYWMORZPBXKVSZ-UHFFFAOYSA-N 425.828 4.295 5 20 IIBD Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)C2)c1 917068936 DDMWFGQENJSGQV-QGZVFWFLSA-N 443.931 4.376 5 20 IIBD CC1=C(C(=O)N(C)C)[C@H](c2csc([N+](=O)[O-])c2)NC(=S)N1c1ccc(C)c(C)c1 917378938 VEIPGEWQIFLGFE-SFHVURJKSA-N 430.555 4.071 5 20 IIBD CCC[C@@H](NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)c1ccccc1 919224874 OXMYZNYVVYZRKP-WMLDXEAASA-N 429.429 4.014 5 20 IIBD C[C@@H](OC(=O)CCOc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1[N+](=O)[O-] 919490008 AGQLELXRPNMTJZ-LLVKDONJSA-N 427.240 4.241 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1I)N(C1CC1)[C@@H]1CCc2ccccc21 920815577 ZASIXWFNHFSLOZ-GOSISDBHSA-N 448.260 4.492 5 20 IIBD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c2c(C(C)C)noc2n1 920895114 DCVCNIBAWIUAIC-LLVKDONJSA-N 446.847 4.400 5 20 IIBD C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(N2CCCC2=O)cc1 920948473 NWPKAGWLFQLEJI-GOSISDBHSA-N 439.515 4.159 5 20 IIBD CC(=O)Nc1c[nH]nc1[C@H]1CCCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C1 1116510699 ZMSDZUYBXJQTPP-JTQLQIEISA-N 431.802 4.333 5 20 IIBD NC(=O)c1ccc(COC(=O)C2(c3ccc(Br)cc3)CCCC2)c([N+](=O)[O-])c1 1317771763 LVDVFICOKXVQDE-UHFFFAOYSA-N 447.285 4.011 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)c3ccncc3)CCC2)cc1 1786601620 DFLNOJARDHXNQZ-UHFFFAOYSA-N 444.491 4.370 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(F)cc([N+](=O)[O-])c4)CCC3)cc2)on1 1787402415 SAKYQWWSYGTFDZ-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD Cc1nocc1C(=O)NC1(c2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2)CCC1 1790696581 LZWBWBMNBVOJFA-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD Cc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3CC3)CC2)cc(Cl)cc1[N+](=O)[O-] 1830738848 VKEOTYJTWOUEBK-LJQANCHMSA-N 433.936 4.200 5 20 IIBD Cc1ccc(C(=O)N2CC3(CCCN3C(=O)C3(c4cccc([N+](=O)[O-])c4)CCC3)C2)cc1C 1845143524 KLTFROVZIIEXON-UHFFFAOYSA-N 447.535 4.151 5 20 IIBD COc1cc(CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc(OC)c1OC 9888076 YGARKLXXIXGYDB-UHFFFAOYSA-N 437.452 4.294 5 20 IIBD Cc1cc(OCC(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1Cl 11166448 VDQPHNXZGNCYBL-NSHDSACASA-N 427.240 4.159 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)COc1cccc2ccccc12)c1ccccc1[N+](=O)[O-] 14377537 ANQPXXPXPJILJH-FQEVSTJZSA-N 436.464 4.326 5 20 IIBD C[C@H](OC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl 16822980 BPZCOVJERBBIJB-JTQLQIEISA-N 445.781 4.249 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc(C(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 18026129 NWBNCSVHMHTGHY-UHFFFAOYSA-N 449.847 4.391 5 20 IIBD COc1ccc(-c2nc(C)c(C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)s2)cc1 19619286 XQVWOGAGRVKUEO-ZDUSSCGKSA-N 441.465 4.219 5 20 IIBD COc1ccc(Cl)cc1CC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 24219361 FNVORSNOKHLXRE-UHFFFAOYSA-N 446.765 4.000 5 20 IIBD Cn1c(COc2ccccc2Cl)nnc1SCCC(=O)Nc1ccc([N+](=O)[O-])cc1 26369332 WCMHVSAFCUOYPQ-UHFFFAOYSA-N 447.904 4.077 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc([N+](=O)[O-])c1 28685954 JNNSGFOLIXUYCD-UHFFFAOYSA-N 439.449 4.082 5 20 IIBD COc1ccc(NC(=O)c2ccc(NCC(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)cc1 30286823 GGMCXBOYCVRBRI-UHFFFAOYSA-N 434.452 4.215 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CC1 31176669 RWPWVCSLDJIRDC-JOCHJYFZSA-N 427.476 4.184 5 20 IIBD CN(C(=O)c1ccc(Cl)cc1)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 60060074 GBDBBTXZHNRFOC-UHFFFAOYSA-N 445.884 4.326 5 20 IIBD Cc1c(C(=O)Nc2ccccc2NS(=O)(=O)c2ccc(F)cc2)cccc1[N+](=O)[O-] 60525443 UZHYAULWGKUKOH-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD CC(C)[C@@H](NC(=O)c1cccs1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 60915480 DUHBKJCEOWXDKZ-MRXNPFEDSA-N 430.511 4.173 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(CO[C@H]2CCC[C@@H](C)C2)c1 62930715 XJPMRIDHIGWOGI-BEFAXECRSA-N 434.514 4.500 5 20 IIBD COc1cc(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)ccc1OC(F)F 106188948 OIAXNIDQBIVYLP-UHFFFAOYSA-N 434.317 4.410 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 195711507 RCOWHZXRKXPSFW-UHFFFAOYSA-N 447.900 4.151 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 302000616 RNTLHBOOVNCKDX-FXAWDEMLSA-N 426.860 4.155 5 20 IIBD Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCN(Cc2nc(O)c3c(C)c(C)sc3n2)CC1 302829863 POGSHGUEMKICSV-UHFFFAOYSA-N 447.948 4.206 5 20 IIBD COc1ccc(OCCn2cnc3sc(-c4ccccc4)c(C)c3c2=O)c([N+](=O)[O-])c1 303961991 ZYSKVVVOUIFSGM-UHFFFAOYSA-N 437.477 4.429 5 20 IIBD COc1ccc(CSCC(=O)N2CCCN(C)c3ccc(Cl)cc32)cc1[N+](=O)[O-] 304012301 LGVBIIOHGLCBCH-UHFFFAOYSA-N 435.933 4.363 5 20 IIBD O=[N+]([O-])c1ccn(C2CCN(Cc3ccc(Br)c(Br)c3)CC2)n1 425983914 FQUJPTVFYBTCOZ-UHFFFAOYSA-N 444.127 4.153 5 20 IIBD CCOc1cc(CN2CC[C@H](C)C(F)(F)C2)ccc1OCCn1c([N+](=O)[O-])cnc1C 426378293 KYQVQYSEGGHHCL-HNNXBMFYSA-N 438.475 4.055 5 20 IIBD CCC1CCC(N(C)C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CC1 430359729 QTCNARFAUMFIRX-UHFFFAOYSA-N 426.311 4.031 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@H](OCCCc2ccccc2)C1 430440919 MZAKIOVBQMPLPF-QGZVFWFLSA-N 433.302 4.221 5 20 IIBD Cc1cc(OCC(=O)Nc2cc(C(=O)N3CCCCC3)ccc2Cl)ccc1[N+](=O)[O-] 430569412 FGORSDOUCNNOFT-UHFFFAOYSA-N 431.876 4.200 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O 430571773 ISMLOWPUUXOHDR-UHFFFAOYSA-N 429.432 4.201 5 20 IIBD O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1ccc(Br)cc1[N+](=O)[O-] 430917122 CHFJFBOODLEOLC-ZDUSSCGKSA-N 439.237 4.307 5 20 IIBD COc1ccc(Cl)cc1N1CC[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 431980605 JCFTWJAUTRFCPS-INIZCTEOSA-N 432.908 4.070 5 20 IIBD COc1cc(CN2CC[C@@H](Oc3ccncc3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 435046972 ZJHLWSBQCHZJME-JOCHJYFZSA-N 435.480 4.231 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)cc1C(N)=O 435135111 MCNNUDGYQVIXRG-UHFFFAOYSA-N 449.535 4.016 5 20 IIBD CC[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)c1nccs1 435845505 MHCCNEJNRPNCKR-GFCCVEGCSA-N 448.551 4.470 5 20 IIBD O=C(NCCc1cccc2cccnc12)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 435934347 IYNVDLHECGLSNI-UHFFFAOYSA-N 429.426 4.480 5 20 IIBD O=C(NCC1(c2ccc(F)cc2)CCOCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 436133647 CLLHZOWERKYVKD-UHFFFAOYSA-N 430.479 4.299 5 20 IIBD O=C1Nc2ccccc2[C@@H]1C1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 436359021 JPHSNXUQOOUMJT-DEOSSOPVSA-N 437.499 4.269 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N2CCC(c3ccccc3)CC2)cc1[N+](=O)[O-] 438785367 LHWPHPONMOEMLN-UHFFFAOYSA-N 439.331 4.234 5 20 IIBD O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC(c2ccccc2Br)CC1 439022087 DQUONACWXAWEKJ-UHFFFAOYSA-N 433.258 4.106 5 20 IIBD CC(C)c1ccc(C(=O)NCC2(N[C@H](C)c3ccccc3)CCOCC2)cc1[N+](=O)[O-] 439261104 MOBRLQMKBLODKE-GOSISDBHSA-N 425.529 4.348 5 20 IIBD O=C(Nc1ccc(F)cc1-c1nc(CCOc2ccccc2)no1)c1ccc([N+](=O)[O-])o1 439878909 XEMJSGJEKAHZIJ-UHFFFAOYSA-N 438.371 4.251 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN[C@@H](c1cccc(Cl)c1)c1ccccn1 441047083 OKEDSZVPXRVFLJ-NRFANRHFSA-N 438.871 4.320 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 441079939 OHCWWXMDFVTSRN-NWDGAFQWSA-N 428.436 4.277 5 20 IIBD CN(C)CCCOC1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 442675875 ACCZOMWRAFUOAU-UHFFFAOYSA-N 443.569 4.319 5 20 IIBD Cc1ccc(C)c(N2CCN(C(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)CC2)c1 444252182 WQBUBWXLYXFCJT-UHFFFAOYSA-N 429.495 4.400 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 444907145 OKGYAZGGHVMNGW-OAHLLOKOSA-N 428.493 4.181 5 20 IIBD CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)CCc3cccc([N+](=O)[O-])c3)cc2)c1 446025668 IDJLFASHXGCQQT-UHFFFAOYSA-N 440.477 4.362 5 20 IIBD O=[N+]([O-])c1cc(CNC2(c3cccc(C(F)(F)F)c3)CCOCC2)c2c(c1)COCO2 446851914 LHCFHPUJSYZYGU-UHFFFAOYSA-N 438.402 4.276 5 20 IIBD Cc1ccc(NCc2cc([N+](=O)[O-])ccc2OC(C)C)c(C)c1S(=O)(=O)NC1CC1 462221398 COIWGVXZDDVDCG-UHFFFAOYSA-N 433.530 4.052 5 20 IIBD COc1cc(OC)cc(-c2cccc(NC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)n2)c1 462847660 ZCTQATILHUNKEJ-UHFFFAOYSA-N 445.435 4.112 5 20 IIBD COc1cccc([C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])N2CCCC2)c1 463474461 QOPNCBVJRHLCEO-LJQANCHMSA-N 437.418 4.189 5 20 IIBD O=C(COc1c(F)cccc1[N+](=O)[O-])N(Cc1cccs1)c1ccc2c(c1)OCCO2 463573427 HWHTUXLSRYYKTE-UHFFFAOYSA-N 444.440 4.179 5 20 IIBD CCCCN(C)S(=O)(=O)c1cccc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c1 464644337 AMEYVXYIFQDBTL-UHFFFAOYSA-N 439.921 4.230 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N[C@H](c1ccccc1)c1cccc(Cl)c1 465024519 DXIOIAZXCFQSOM-HSZRJFAPSA-N 438.867 4.468 5 20 IIBD COc1cc(C)c([C@@H](C)NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1OC 465594770 IQTMSVKUUDIOHQ-MRXNPFEDSA-N 443.500 4.234 5 20 IIBD NC(=O)C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C1 467753111 ISNDTLIDZQVMMD-ZDUSSCGKSA-N 433.917 4.127 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC1(c2ccc(Cl)cc2)CCCC1 468120189 KTBXVJUUTPZCHA-KRWDZBQOSA-N 433.940 4.109 5 20 IIBD Cc1nc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)oc1-c1ccc(Cl)cc1 468269612 YVVXOHOPBYOSPK-UHFFFAOYSA-N 446.916 4.231 5 20 IIBD Cc1cn(-c2c(F)cccc2F)nc1C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 469395043 HEDDFQRFCNZNOD-FQEVSTJZSA-N 430.436 4.255 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C 469661606 NTNYIIQUULXYMQ-OAHLLOKOSA-N 438.509 4.493 5 20 IIBD C[C@H]1OCC[C@@]12CN(C(=O)c1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)CCO2 470656846 CONCHBIGKXFBSV-SPLOXXLWSA-N 432.860 4.061 5 20 IIBD COc1cc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc(-n2cccn2)c1 471492190 JOUJCYRUAFGLEG-UHFFFAOYSA-N 435.362 4.130 5 20 IIBD O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccc(Br)cc1[N+](=O)[O-] 476807628 VIKKKRQXUHUWQA-UHFFFAOYSA-N 448.254 4.462 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCCCCc3ccc(F)c(F)c3)cc2)c(C)c1[N+](=O)[O-] 478039318 GUKPYPIDDPQTHN-UHFFFAOYSA-N 442.466 4.487 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCCc2nc(C)c(C)s2)cc1 478194205 CZCUMHBACNCRDF-UHFFFAOYSA-N 427.482 4.442 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)c1C 479982718 IROYPZSCVUDVER-UHFFFAOYSA-N 432.527 4.190 5 20 IIBD COC(=O)c1nc([C@@H]2CCCN2c2ccc(Br)cc2[N+](=O)[O-])sc1C 480579039 OGJUXYDESVUDKJ-LBPRGKRZSA-N 426.292 4.250 5 20 IIBD CS(=O)(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cc1 480626856 XMXVFJXMXXJEAW-UHFFFAOYSA-N 442.518 4.080 5 20 IIBD O=C(NCCc1nnc2n1CCCCC2)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 481999881 RCSXJZSNTBSYIP-UHFFFAOYSA-N 437.525 4.036 5 20 IIBD CN1C(=O)C[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1c1ccc(F)c(F)c1 482691629 LVCPIKWLOPCRLS-ICSRJNTNSA-N 444.463 4.058 5 20 IIBD Cc1c(CNC(=O)Nc2cnn(-c3ccccc3Br)c2)cccc1[N+](=O)[O-] 484327175 QMKKTNHFPIXZQT-UHFFFAOYSA-N 430.262 4.173 5 20 IIBD CC(=O)Nc1cccc(Nc2nnc(SCc3nc4ccc([N+](=O)[O-])cc4[nH]3)s2)c1 484503397 REFYDFABGVZRCN-UHFFFAOYSA-N 441.498 4.317 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)Sc1nc(C2CC2)nc2c1c(O)nc(=O)n2C1CC1 484576242 XFIQTHYUNTVMSQ-NSHDSACASA-N 439.497 4.174 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(=O)Nc1cccc2c1CCO2 484886234 OXWHRBVDIBVWII-UHFFFAOYSA-N 441.490 4.320 5 20 IIBD Cc1ccncc1CN(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 485033231 MYKRYIPZTLNTBM-UHFFFAOYSA-N 442.522 4.108 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N(C)[C@@H](C)C(=O)NC(C)(C)C)cc2[N+](=O)[O-])cc1 485597277 DLHGLIYVRSOIEC-HNNXBMFYSA-N 429.542 4.430 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccnc(Oc3ccccc3F)c2)c(Cl)c1 486834480 OASJEXSGCICVKN-UHFFFAOYSA-N 437.836 4.053 5 20 IIBD C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 486843171 HKXARJPFIXIGCH-BUKPSGGLSA-N 447.495 4.026 5 20 IIBD CCOc1ccc([C@@H](C)NC(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)cc1OCC 486902371 XPKKRVUSOOJPAW-CQSZACIVSA-N 445.472 4.370 5 20 IIBD CC(C)CNC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1Cl 487664325 VXBRQRNDESIFTC-UHFFFAOYSA-N 441.818 4.488 5 20 IIBD CC[C@H](c1ccccc1)c1nnc(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)s1 488328989 JAXVENQMEREIEM-MRXNPFEDSA-N 441.517 4.054 5 20 IIBD CCOc1cc(CSCc2nc(-c3ccc(OC)cc3OC)no2)ccc1[N+](=O)[O-] 491938210 TXZGXWZIPSOPOC-UHFFFAOYSA-N 431.470 4.494 5 20 IIBD CN(Cc1ccccc1CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CCCCC1 492613125 LKEPTXPSGRXBEH-UHFFFAOYSA-N 447.539 4.475 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H](c1cccc(F)c1)c1ccccn1 498886526 KOHGVSSXONWRIU-FQEVSTJZSA-N 444.260 4.340 5 20 IIBD O=C(Nc1ccn(-c2ccc(Br)cc2)n1)c1c[nH]c2cccc([N+](=O)[O-])c12 498909150 VVNNEUDQSQOXNK-UHFFFAOYSA-N 426.230 4.277 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc([C@@H]2CN(Cc3ccccc3)CCO2)no1 500833454 HTQPGOFGEFJYTE-KUHUBIRLSA-N 444.875 4.345 5 20 IIBD COc1ccc(CSCC(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)cc1[N+](=O)[O-] 502312522 QCCHRHUOCFGUKP-OAHLLOKOSA-N 436.917 4.170 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCO[C@H](c2ccccc2Cl)C1 505149660 WVQQCKQDOCXMGF-KRWDZBQOSA-N 444.793 4.403 5 20 IIBD Cc1cccc(COc2cccc(NC(=O)C(=O)N(C)CCc3ccccc3[N+](=O)[O-])c2)c1 506703199 KRISQRDXKBGNIB-UHFFFAOYSA-N 447.491 4.122 5 20 IIBD CCOC1CC(CSc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])C1 507120082 JRKFNSUKJLOKKG-UHFFFAOYSA-N 428.576 4.067 5 20 IIBD O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 508004147 XBCAWWDEYNLHPY-CYBMUJFWSA-N 430.823 4.457 5 20 IIBD O=[N+]([O-])c1cc(CNCc2ccccc2Cn2cncn2)ccc1Oc1ccc(F)cc1 508734284 QFYQSMHTLMHNSE-UHFFFAOYSA-N 433.443 4.456 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 509279006 KWBJVTHNHYDPIL-HNNXBMFYSA-N 437.349 4.471 5 20 IIBD Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 513014009 DGQNGVKVVKNLAU-UHFFFAOYSA-N 426.904 4.425 5 20 IIBD COc1cc(CCNC(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)c([N+](=O)[O-])cc1OC 515872542 GRARZAXHDVEVLA-HXUWFJFHSA-N 433.480 4.380 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc([N+](=O)[O-])c1C 516374941 GQJHNPJGTLPNGN-GASCZTMLSA-N 445.541 4.131 5 20 IIBD COc1cc(C(=O)N(C)c2ccc(F)c(F)c2)c([N+](=O)[O-])cc1OCc1cscn1 516646130 ZSPSOXVXGDEKLK-UHFFFAOYSA-N 435.408 4.194 5 20 IIBD O=C(Nc1cccc(OC[C@H]2CCCO2)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 520491988 KRXNMESTGOPDOC-HXUWFJFHSA-N 425.485 4.008 5 20 IIBD CC[C@H](C)NC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c(C)c1 520592564 ZHAUCDZUZUGYNU-UONOGXRCSA-N 433.892 4.491 5 20 IIBD COc1cc(C(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)cc([N+](=O)[O-])c1OC 525031255 WZBZNBHIMSDUMP-UHFFFAOYSA-N 426.469 4.132 5 20 IIBD CC(=O)N[C@@H](CC(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1)c1ccc(F)cc1F 525046504 AOJKASRQVBTUMW-NRFANRHFSA-N 431.439 4.416 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(Oc3ccc(OC)cc3)nc2)cc([N+](=O)[O-])c1 525078023 YIPYJYMLSUCGKB-UHFFFAOYSA-N 437.408 4.220 5 20 IIBD O=C(NCc1ccc(Oc2ccccc2F)c(F)c1)c1cc([N+](=O)[O-])cc2c1OCCO2 525161456 BMTYORSDNPHLJH-UHFFFAOYSA-N 442.374 4.367 5 20 IIBD O=C(NCCc1nc2cc(Cl)ccc2s1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 531774934 HPIDBFLECDLJGS-UHFFFAOYSA-N 428.857 4.084 5 20 IIBD CCOC(=O)c1sc(NC(=O)c2cc(OCC)c(OC)cc2[N+](=O)[O-])nc1C(C)C 533873359 XZPHZKOFWRURKR-UHFFFAOYSA-N 437.474 4.011 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(C[S@@](=O)Cc3cc(Cl)c4c(c3)OCCO4)co2)cc1 534061555 IUGAGDLRBXZXKX-LJAQVGFWSA-N 434.857 4.123 5 20 IIBD Cc1nc(CC(C)C)c(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)s1 534292868 GLJHSRVJSKQXLI-UHFFFAOYSA-N 445.282 4.415 5 20 IIBD CC[C@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@H](c1ccc(C)cc1)n1cncn1 534456315 ZDHKJPAIOHEDHG-CZAAIQMYSA-N 439.541 4.160 5 20 IIBD COc1ccc(-n2nc(C(=O)N(Cc3ccccc3[N+](=O)[O-])CC(F)(F)F)cc2C)cc1 536121208 IFTQDAVGTACAJQ-UHFFFAOYSA-N 448.401 4.302 5 20 IIBD COc1cc(C(=O)Nc2ccc3nncn3c2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 537836570 SKRYPVQZZHAECF-UHFFFAOYSA-N 439.815 4.344 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@H](CO)c3cccc(F)c3)cc2[N+](=O)[O-])n1 538872898 VXMCAAVJHIGCEC-OAHLLOKOSA-N 433.486 4.113 5 20 IIBD Cc1ccc([C@@H](C)NCC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1[N+](=O)[O-] 539376561 JQPJJYXOMVCLQJ-CQSZACIVSA-N 428.489 4.379 5 20 IIBD CC[C@H](C(=O)N1CCC(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1)c1ccccc1 539840571 GLHKGGQSWXNSHQ-NRFANRHFSA-N 437.540 4.435 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Br)cn(C)c1=O 540758315 HTYIICNHJYOZNY-UHFFFAOYSA-N 440.319 4.201 5 20 IIBD COc1ccc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)cc1Oc1ccc(C)nn1 541032307 UFJWGPDQSOHVBV-UHFFFAOYSA-N 446.366 4.348 5 20 IIBD Cc1c([N+](=O)[O-])cnc(Sc2nnc(-c3ccncc3)n2C2CC2)c1Br 542507716 MDTMIPLWURIEDH-UHFFFAOYSA-N 433.291 4.200 5 20 IIBD CN(C)c1cc(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)c2ccccc2n1 542535236 JBQRWUGWJSHWRO-UHFFFAOYSA-N 432.402 4.414 5 20 IIBD C[C@@H](C(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1F 542549985 BEWRGERXQANCBH-OAHLLOKOSA-N 442.468 4.450 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)N1C[C@H]2[C@@H](O)CC[C@H]2C1 543346787 BBGZWPPRPZESGM-JOQOYGCGSA-N 449.866 4.092 5 20 IIBD COc1cc([C@H](C)Nc2ncc([N+](=O)[O-])c(C)c2Br)cc(OC)c1OC 543438014 FIEDHOYEBFZGRW-JTQLQIEISA-N 426.267 4.260 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)c1 544668182 LMOSHSHRLVWWCT-QGZVFWFLSA-N 441.509 4.225 5 20 IIBD COCCCOc1cc(C)ccc1-c1noc(-c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)n1 545043888 UBDSRFYYHPRFAA-UHFFFAOYSA-N 435.440 4.221 5 20 IIBD C[C@H]1CCCN1C(=O)c1ccc(-c2noc(C(F)(F)c3ccc([N+](=O)[O-])cc3)n2)cc1 545855940 YIPJRFLZAAZRED-ZDUSSCGKSA-N 428.395 4.409 5 20 IIBD COC(=O)c1sc(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)nc1C1CCCC1 546046747 WLPRZKGVHJLFFK-UHFFFAOYSA-N 442.453 4.002 5 20 IIBD CC(C)(C)Cc1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1C[C@H]1CCCO1 549909543 BNLAPFJHTBNEIG-HXUWFJFHSA-N 443.548 4.002 5 20 IIBD CN1CC[C@@]2(CCN(C(=O)c3ccc(NCc4ccccc4Cl)c([N+](=O)[O-])c3)C2)C1 558031948 HBRSDAXOTFSLMM-JOCHJYFZSA-N 428.920 4.028 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCCn1cc(Br)cn1 569043080 FNIWVQRUSXWLOB-UHFFFAOYSA-N 441.351 4.122 5 20 IIBD C[C@@H](CN[C@@H](c1ccc([N+](=O)[O-])cc1)c1nccn1C)Oc1ccccc1Br 572980783 OEEXFUDFRNOJSE-LIRRHRJNSA-N 445.317 4.237 5 20 IIBD O=C(CN[C@@H](c1c(Cl)cccc1Cl)C1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 574797867 LTMXRQXVGUGNSD-LJQANCHMSA-N 438.267 4.310 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)Cc1ccccc1Br 575772114 SAHTYDVZGKWDOG-UHFFFAOYSA-N 427.320 4.098 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(Cc1coc(-c3ccc(Br)cc3)n1)CCO2 576268735 BFTJGYOUNYZSDU-UHFFFAOYSA-N 430.258 4.407 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 576328629 ZDWWPMWGHFBAOY-UHFFFAOYSA-N 431.514 4.018 5 20 IIBD CCS(=O)(=O)Cc1noc(-c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)n1 589138801 IBROAVONZRBTTH-UHFFFAOYSA-N 439.902 4.384 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCc2ccc(OC(C)C)nc2)c([N+](=O)[O-])c1 603862052 FCRZKKSLUPXNBK-UHFFFAOYSA-N 449.463 4.407 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCO[C@H](c4ccc(F)cc4)C3)cc2[N+](=O)[O-])C1 603863913 VVGDXJFPDPNYGC-MFEFFIJZSA-N 441.503 4.430 5 20 IIBD CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)CCOc1ccccc1[N+](=O)[O-] 603948965 UTHUWSRSMUIWKL-UHFFFAOYSA-N 444.875 4.105 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 608866530 VEFKJXRPAJLKPP-FQEVSTJZSA-N 444.451 4.198 5 20 IIBD C[C@@H](NS(=O)(=O)c1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2F)c1)c1ccccc1 608870803 NTCWKCBXVNSZJB-CQSZACIVSA-N 443.456 4.026 5 20 IIBD COc1ccc(CC(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)cc1[N+](=O)[O-] 609010065 QGVOIZONOIYCJI-UHFFFAOYSA-N 437.374 4.152 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCCCc2cccc(Br)c2)cc1SC 609410774 YJDCPPUBLPDKJW-UHFFFAOYSA-N 439.331 4.450 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 609782948 DQGMYXQBIPJXCX-UHFFFAOYSA-N 431.857 4.324 5 20 IIBD CN(C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)C1Cc2ccccc2C1 609856403 ONEXVYYYTHBKHK-UHFFFAOYSA-N 431.279 4.327 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC(C)C)c(C)c1 610203951 XQAJCSNGOFSRGP-IBGZPJMESA-N 445.541 4.181 5 20 IIBD Cc1ccc2nc([C@@H]3CCCN3c3ccc(C(=O)c4nccn4C)cc3[N+](=O)[O-])[nH]c2c1 610709040 CFBNIBPIRKBGBA-IBGZPJMESA-N 430.468 4.086 5 20 IIBD CC[C@H](CS(=O)(=O)c1ccccc1)NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 611039315 VCLCENCBBKSUIW-MRXNPFEDSA-N 444.509 4.206 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 611529930 SHQWDKBPLUHYJG-HXUWFJFHSA-N 446.463 4.357 5 20 IIBD CCc1ccccc1O[C@H](C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 730621825 AAQQCVNYLKYFLO-QHCPKHFHSA-N 434.448 4.459 5 20 IIBD O=C1OC(c2c(Cl)cccc2[N+](=O)[O-])=N/C1=C/c1ccc(OC[C@H]2CCCO2)cc1 730957378 AOOTXYNDAGESEC-QAEAHILHSA-N 428.828 4.151 5 20 IIBD C[C@H](OC(=O)[C@H](C)c1ccccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 731393394 DVGQHGHSUYHNTC-MNOVXSKESA-N 428.338 4.427 5 20 IIBD O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1c2ccccc2Oc2ccccc21 731504095 LZDRRQREYYORTD-OAQYLSRUSA-N 430.416 4.181 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ncoc3C(C)C)cc2)cc1[N+](=O)[O-] 732050442 UZYFNGPQRKGWMY-UHFFFAOYSA-N 444.469 4.068 5 20 IIBD O=C(NCc1ccc(Br)cc1F)Nc1cc([N+](=O)[O-])ccc1OC(F)F 732425462 QTCHNJBCPZWKPL-UHFFFAOYSA-N 434.168 4.420 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)C2(c3cccs3)CCCCC2)c([N+](=O)[O-])c1 738703832 SPOISUIWBFNDPH-UHFFFAOYSA-N 432.498 4.439 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Br)c1ccc(OCC(F)(F)F)nc1 739580186 SOYJGJSUMKVHRT-UHFFFAOYSA-N 435.152 4.050 5 20 IIBD C[C@@H](NC(=O)c1ccccc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-])c1ccccc1 742610595 YXANFGQAVQYOGK-QGZVFWFLSA-N 432.480 4.161 5 20 IIBD COc1cc(CCNC(=O)c2sccc2-c2ccc(F)cc2)c([N+](=O)[O-])cc1OC 743750093 WCAIDELVBCCBRK-UHFFFAOYSA-N 430.457 4.452 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])cn1)O[C@@H](c1ccccc1)c1cc(Br)ccc1F 744182962 ICZGSSWWIOOHCX-SFHVURJKSA-N 434.221 4.026 5 20 IIBD O=C(COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ncc(Cl)cc1Cl 745568378 MVEDIHVPOWRGFG-UHFFFAOYSA-N 438.145 4.111 5 20 IIBD C[C@H](OC(=O)[C@@H](C)c1ccc(Br)s1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 745636958 FTPFQRLIWZNAHL-IUCAKERBSA-N 445.266 4.232 5 20 IIBD COc1ccc(-c2csc(CNC(=O)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c2)cc1 747792378 GBPREEIOUPMTGP-UHFFFAOYSA-N 445.884 4.240 5 20 IIBD Cc1c(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748606642 JEMBFIYZQNUWSW-GOSISDBHSA-N 446.529 4.384 5 20 IIBD O=c1c(Cl)c(N2CCC(c3cccc(F)c3)CC2)cnn1-c1ccc([N+](=O)[O-])cc1 751966395 LRYRYKCBUSGPOH-UHFFFAOYSA-N 428.851 4.317 5 20 IIBD C[C@H](OC(=O)c1c(F)ccc([N+](=O)[O-])c1F)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 752566703 DLMMTWHZDOBNNL-STQMWFEESA-N 432.423 4.175 5 20 IIBD C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)COCc1ccccc1 754995259 ZMLZVQYMRGZRHK-LBPRGKRZSA-N 425.254 4.079 5 20 IIBD CCc1c(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1CCC(C)C 755597296 YDWRUZHOAHBOBP-CQSZACIVSA-N 427.461 4.368 5 20 IIBD Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)OC(=O)Cc1ccc([N+](=O)[O-])cc1Br 756523980 BOTNKPKOQKSPBB-ZIAGYGMSSA-N 449.301 4.017 5 20 IIBD CN(C(=O)COC(=O)c1ccc(F)cc1[N+](=O)[O-])[C@H](c1ccccc1)c1ccc(F)cc1 758113466 FPQKPGYMEQBISZ-JOCHJYFZSA-N 440.402 4.278 5 20 IIBD COc1ccc(CNC[C@@](C)(O)c2ccc(F)cc2)cc1OCc1ccc([N+](=O)[O-])cc1 758599861 KLUDGQRTQLWZRY-XMMPIXPASA-N 440.471 4.319 5 20 IIBD C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)O[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 759852141 LPVUYGCTHHJLFS-RYUDHWBXSA-N 436.823 4.167 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1cccc([C@@H]2CCOC2)c1 761488633 QIVNOTKVLQPMNS-LJQANCHMSA-N 436.468 4.200 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(OCc2cccnc2)c1 761890059 VPBDBPKNBUGAPZ-UHFFFAOYSA-N 433.873 4.331 5 20 IIBD C[C@H](Nc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)cc1[N+](=O)[O-])c1ccccn1 762324896 PWZOLFNCPHHCCJ-ZDUSSCGKSA-N 447.411 4.107 5 20 IIBD CC(C)(C(=O)Nc1cc2c(cc1Br)OCCO2)c1ccc([N+](=O)[O-])cc1F 762416853 CVEQCEBJNFILGE-UHFFFAOYSA-N 439.237 4.184 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)C[C@H]21 762474383 KBDKKHDSELALRE-IDHHARJASA-N 449.523 4.163 5 20 IIBD COc1cccc([C@H](O)CN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])Cc2ccccc2)c1 766974480 ZMZJNWSZLMKYMB-HSZRJFAPSA-N 449.507 4.086 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 768559389 MDVAUDVDKVCUDC-LBPRGKRZSA-N 426.775 4.359 5 20 IIBD CCc1c(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)cnn1-c1ccc(OC)cc1 769842099 IJXQEAFWSNTDPA-UHFFFAOYSA-N 428.876 4.277 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCn2c(cc3c(Cl)cccc32)C1 772650779 VVQOREDTJKMZJW-UHFFFAOYSA-N 428.832 4.086 5 20 IIBD O=C(COC(=O)c1cnc(Cc2ccccc2F)s1)Nc1ccc([N+](=O)[O-])cc1Cl 772829704 JHWVFWUABAQKFH-UHFFFAOYSA-N 449.847 4.230 5 20 IIBD O=C1CC[C@]2(C(=O)OCc3ccc(Br)c([N+](=O)[O-])c3)Sc3ccccc3N12 773380270 BSSICAPKEUWZDR-GOSISDBHSA-N 449.282 4.030 5 20 IIBD Cc1cc(C)cc(NC(=O)[C@H](C)OC(=O)c2sc(Br)cc2[N+](=O)[O-])c1 773601775 YSFQPBVLVIFNBF-JTQLQIEISA-N 427.276 4.220 5 20 IIBD CSc1cccc(C(=O)OCc2cccc(C(=O)NCc3ccco3)c2)c1[N+](=O)[O-] 777073203 BLINYNGURJCWDT-UHFFFAOYSA-N 426.450 4.197 5 20 IIBD COc1cc(CN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C2CC2)ccc1OC(F)F 777915626 XKQCYDOMPGRJAF-UHFFFAOYSA-N 442.365 4.488 5 20 IIBD O=[N+]([O-])c1ccc([C@@H](O)CN[C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)cc1 779067550 XMSCDJMEVOXSGA-REWPJTCUSA-N 440.883 4.432 5 20 IIBD O=C(O[C@@H]1CCCN(c2ccccc2F)C1=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 781258754 CZPQSSFLFZAAIO-JOCHJYFZSA-N 430.435 4.173 5 20 IIBD CC[C@@H]1C[C@@H](CC(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCO1 781763791 JRKVRADEDZROLY-JKIFEVAISA-N 447.513 4.184 5 20 IIBD Cc1ccc(COC(=O)c2cc(Br)ncc2[N+](=O)[O-])cc1Br 782300758 PSKLINKXMJDBJM-UHFFFAOYSA-N 430.052 4.180 5 20 IIBD Cc1nc(C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])nn1-c1ccccc1 782848444 BUPOICDSCDUQCJ-UHFFFAOYSA-N 429.436 4.315 5 20 IIBD CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccc([N+](=O)[O-])cc2Cl)NC(=S)N1 783941446 XZCQNYCKDKOQCC-GOSISDBHSA-N 430.917 4.297 5 20 IIBD CSCC(=O)Nc1ccc(OC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1 785951814 IKWJOLSXOGREOE-UHFFFAOYSA-N 439.287 4.186 5 20 IIBD C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 786024048 NLIMNOBVGUBAPA-JTQLQIEISA-N 429.782 4.125 5 20 IIBD C[C@@H](OC(=O)c1cc2ccccc2n1CC(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1 787189272 NYUQLZZBHTUXBB-GFCCVEGCSA-N 435.358 4.296 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1 789906961 HCAGUQWKNMKTPG-LJQANCHMSA-N 439.403 4.400 5 20 IIBD COC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)c(OCC(F)(F)F)c1 790447442 XYAHHZVHTSXWPZ-UHFFFAOYSA-N 430.310 4.022 5 20 IIBD Cc1nc2c(C(=O)N3CCCC[C@H]3CCOC(=O)c3cccc([N+](=O)[O-])c3)cccc2o1 792066035 HNEKTJFJOIEEIC-KRWDZBQOSA-N 437.452 4.286 5 20 IIBD O=[N+]([O-])c1cc(Cl)c(Cl)cc1OCc1nnnn1-c1ccc(OC(F)F)cc1 794496634 MDCYSYOTFKMSIZ-UHFFFAOYSA-N 432.170 4.058 5 20 IIBD CCOC(=O)/C(=C/c1ccc(OC(F)F)c(Br)c1)c1ccc([N+](=O)[O-])cn1 794948163 DQFSQJDNUHKAJN-KPKJPENVSA-N 443.200 4.457 5 20 IIBD O=C(COc1cc(F)c([N+](=O)[O-])cc1Cl)Nc1cc(C2CC2)nn1-c1ccccc1 795263717 GQJRQXKZJFZCPL-UHFFFAOYSA-N 430.823 4.468 5 20 IIBD CCN(C(=O)COC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1nc2ccccc2s1 796442739 PDBNKDVKLGKJFN-UHFFFAOYSA-N 427.482 4.078 5 20 IIBD CC(C)(C)OC(=O)NC[C@@]1(C)CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 801451659 KJHJZFNCDHJECN-RUZDIDTESA-N 435.524 4.058 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)C2CCN(C3CC3)CC2)c2ccccc2)c([N+](=O)[O-])c1 801872051 KZEJMASTNKXLAF-QFIPXVFZSA-N 437.496 4.001 5 20 IIBD CC(C)(CNC(=O)c1cc([N+](=O)[O-])ccc1Br)Oc1cc(F)cc(F)c1 803377765 JKHZSYQMJFZDRX-UHFFFAOYSA-N 429.217 4.223 5 20 IIBD O=[N+]([O-])c1ccc(Br)c2c1CN(c1nnc(Cc3ccccc3)s1)CC2 804702850 IIRHDMFWKNHQQK-UHFFFAOYSA-N 431.315 4.362 5 20 IIBD O=C(N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1cc(F)c([N+](=O)[O-])cc1F 804748137 GGOHHBMIKSRISI-GOSISDBHSA-N 430.329 4.023 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1CCNC(=O)OC(C)(C)C 805299578 XTZQFRHFFIGQOH-RTBURBONSA-N 433.549 4.459 5 20 IIBD Cc1cc(COC(=O)[C@@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] 808714135 NJWGUBOEWDLVAL-GOSISDBHSA-N 432.395 4.136 5 20 IIBD C[C@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810352198 MFNACPJPNMDHRZ-SNVBAGLBSA-N 440.681 4.169 5 20 IIBD CCCNC(=S)/C(=C(/O)c1cccc([N+](=O)[O-])c1)[n+]1cc(O)cc(-c2ccccc2)c1 811723595 IPEJIKWGLXNANO-UHFFFAOYSA-O 436.513 4.466 5 20 IIBD Cc1c(C(=O)N[C@@H](C)c2ccc(N3CCCCC3=O)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 812386449 ULTOUSYHJRWEPE-HNNXBMFYSA-N 440.456 4.128 5 20 IIBD O=C(NC[C@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1)c1ccccc1 813037709 YVCVMMKXNVVBHE-CYBMUJFWSA-N 436.295 4.184 5 20 IIBD CC(=O)NCCN(Cc1ccc(C)s1)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813247273 QOGBGVWFQFEMFZ-UHFFFAOYSA-N 430.313 4.050 5 20 IIBD COc1ccc(CCC(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1Cl 818175483 KPXSFZBWCGSNPC-LLVKDONJSA-N 441.267 4.413 5 20 IIBD COC(=O)c1coc(-c2noc(-c3ccc(N[C@@H](C)c4ccccn4)c([N+](=O)[O-])c3)n2)c1 904946813 KWZAOQCVMGCACV-LBPRGKRZSA-N 435.396 4.260 5 20 IIBD Cc1nc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(Br)c3)cc2s1 918147827 QTQNHYAEPNZBCY-UHFFFAOYSA-N 428.289 4.076 5 20 IIBD COc1ccc([C@H]2CCCCCN2C(=O)COC(=O)c2cccc([N+](=O)[O-])c2C)cc1 918877020 JNXWKXGWFWXWQD-OAQYLSRUSA-N 426.469 4.213 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1 920777992 OMDMYBCMLJAGOD-JTQLQIEISA-N 446.765 4.216 5 20 IIBD Cc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1115978531 SAEYFWDQUWKTPV-UHFFFAOYSA-N 440.477 4.070 5 20 IIBD CC(C)(C)OC(=O)C1(NC(=O)c2cccc([N+](=O)[O-])c2Br)CCCCC1 1121237013 IWDBEEBRIFVSJP-UHFFFAOYSA-N 427.295 4.132 5 20 IIBD O=C(c1cccs1)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 1323856300 OGDUIAUGGAKTDB-UHFFFAOYSA-N 449.337 4.247 5 20 IIBD Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(C)c([N+](=O)[O-])cn4)cc3)CCC2)cn1 1788765762 ZYTBMGQGBFBKBH-UHFFFAOYSA-N 445.479 4.063 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@@H]3CCC=CO3)cc2)CCC1)c1ccc([N+](=O)[O-])cc1F 1789503757 BEJZSBLDGJRSGW-FQEVSTJZSA-N 439.443 4.174 5 20 IIBD C[C@H](Cc1ccncc1)C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1 1791034994 SMCFFXWENWLDRC-MRXNPFEDSA-N 448.479 4.209 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(C2(NC(=O)c3ccon3)CCC2)cc1 1792315629 IWHRDKGDPAXGTA-IZZDOVSWSA-N 432.436 4.044 5 20 IIBD CC(C)=CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)n[nH]1 1814970224 XGFHXIVFXDWWSG-CKDFRHGISA-N 441.488 4.363 5 20 IIBD CC/C=C(\C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(C)c([N+](=O)[O-])c2)n[nH]1 1820920804 NEOUYVSGLRNFHD-LRCYMOHKSA-N 439.516 4.217 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 1824348234 JTRJRZGLBYJFQW-FXAWDEMLSA-N 445.560 4.273 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC12CN(C(=O)c1ccccc1C1CC1)C2 1845494052 HDBUQIAKRQDTAE-UHFFFAOYSA-N 437.471 4.051 5 20 IIBD O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1cc([N+](=O)[O-])ccc1N1CCOCC1 16709741 JINUCCOZKAQNNH-KRWDZBQOSA-N 433.917 4.052 5 20 IIBD CCn1c(SCC(=O)N(C)Cc2ccccc2F)nc2cc3ccccc3cc2c1=O 19241421 CRRNVGBPGAGJSR-UHFFFAOYSA-N 435.524 4.459 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC(c2nc3ccccc3s2)CC1 31207120 QQCKKGHYFFQQGO-UHFFFAOYSA-N 433.493 4.410 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N(C)CCCc2cc(-c3ccccc3)n[nH]2)cc1OC 108027415 YEEHCOUINNGKNO-UHFFFAOYSA-N 438.484 4.097 5 20 IIBD CC(C)(Cc1ccc(Br)cc1)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] 302111491 ZVEWGKKYGOZOKO-UHFFFAOYSA-N 433.349 4.256 5 20 IIBD COCc1cc([N+](=O)[O-])ccc1N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 302430782 PQTLWEKABBYVBK-GOSISDBHSA-N 425.254 4.221 5 20 IIBD Cc1cc(NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)c(Br)cc1[N+](=O)[O-] 302699663 UOSXUHIFLKHMIG-MRXNPFEDSA-N 448.317 4.187 5 20 IIBD Cc1nc2cc(F)ccc2cc1C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 302920834 JYMWWHVXXVKYDM-HXUWFJFHSA-N 439.443 4.403 5 20 IIBD Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NCc3ccc([N+](=O)[O-])cc3Cl)cc21 409894078 ATIUHVFAKMSTIJ-UHFFFAOYSA-N 429.908 4.041 5 20 IIBD CCOc1ccc(-c2noc(CCC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)n2)cc1 427582878 JSBXRNNNIXKLPG-UHFFFAOYSA-N 436.468 4.167 5 20 IIBD O=C(NCCOc1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1[N+](=O)[O-] 429820165 NDYNDBXVVXEZSP-UHFFFAOYSA-N 433.180 4.185 5 20 IIBD Cc1cccc([C@H](C)NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1C 430326032 JBUIOXHTSSLMCK-ZDUSSCGKSA-N 434.290 4.098 5 20 IIBD CC(C)(C(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1)c1ccccc1[N+](=O)[O-] 432413432 MMLFJZVDHPSHOA-UHFFFAOYSA-N 431.492 4.484 5 20 IIBD CN(CCCNC(=O)C1CCC1)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 432788218 KADIVPJFSSWZJQ-UHFFFAOYSA-N 447.539 4.186 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)NC1(c2cc(C(F)(F)F)ccc2Cl)CC1 434618636 PBDRODYNUJCWHK-UHFFFAOYSA-N 427.766 4.011 5 20 IIBD O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 436173841 CQMQIRXROYJFBE-UHFFFAOYSA-N 428.452 4.233 5 20 IIBD COc1ccc(OC(C)C)c(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 438768650 ABBGSTYTOPZACS-UHFFFAOYSA-N 435.285 4.498 5 20 IIBD Cc1cc(S(=O)(=O)N2CCCC[C@@H]2c2ncc(-c3ccccc3)[nH]2)ccc1[N+](=O)[O-] 439201613 KGTNORSKJTUMTE-HXUWFJFHSA-N 426.498 4.209 5 20 IIBD COc1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1OC 439232176 CHUMBEKBZHYMAF-UHFFFAOYSA-N 428.466 4.008 5 20 IIBD CC(C)[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1ccc(C(F)(F)F)cc1 439656867 WJSXLYSRZOBQFY-QGZVFWFLSA-N 444.431 4.144 5 20 IIBD CCCC(O)(CCC)CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 440231378 KAHIGTGHYNTPCU-UHFFFAOYSA-N 429.304 4.148 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1cc(F)cc(F)c1Br 442844688 LZWPYXFGAMITKE-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD COc1ccc([C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c2ccccc2OC)cc1 443458696 ARVHMIOVKVECQF-XMMPIXPASA-N 435.480 4.238 5 20 IIBD O=[N+]([O-])c1cnc(N2CCC[C@@H]2c2nc(Cc3ccc(Br)cc3)no2)s1 443508213 IGJMDNRDVCLNCE-GFCCVEGCSA-N 436.291 4.129 5 20 IIBD Cc1cc(Cl)c(NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1Cl 443940944 JIYPQJNQALEUQW-UHFFFAOYSA-N 437.283 4.200 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 444241544 FGMVUUIFHUUBNA-FPTDNZKUSA-N 437.490 4.048 5 20 IIBD C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 444407950 GAWXAVUKBYEGRL-VFNWGFHPSA-N 429.904 4.451 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCN(c3cccc4cnccc34)C[C@@H]2C)cc1[N+](=O)[O-] 446206981 QSQSQXDSZUYULC-ROUUACIJSA-N 433.512 4.433 5 20 IIBD COc1ccc([C@H](C)N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCOC2)cc1 461594380 WMSJEXAOIRYGFZ-IRXDYDNUSA-N 437.500 4.096 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(CNc3ccc([N+](=O)[O-])c(OC(F)F)c3)cc2)C[C@@H](C)O1 462377256 AIITYFULUHNOOG-OKILXGFUSA-N 435.427 4.058 5 20 IIBD COc1cc(C)c(Br)cc1NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 462598025 ZSOBAUDUBFGSOA-UHFFFAOYSA-N 445.273 4.327 5 20 IIBD CC[C@@]1(C)CCCN(C(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 464582058 KRYHVRWOVOOVSL-NRFANRHFSA-N 431.514 4.048 5 20 IIBD CCN(CC)C[C@@H]1CCN(C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)C1 464650046 OUBLVDKCWBRUDT-HNNXBMFYSA-N 434.587 4.315 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(C[C@@H](O)COc3cc(Cl)ccc3Cl)CC2)cc1 464780404 WVAAEEQZUKTNKR-MRXNPFEDSA-N 441.311 4.185 5 20 IIBD CC[C@@H]1Oc2cc([C@@H](C)NC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)ccc2NC1=O 465361887 DAYYQMVVTUGJSQ-YJYMSZOUSA-N 425.485 4.493 5 20 IIBD CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)O[C@@H](C)C2 466216354 MWEMXUBRTNDXMF-XGINMYPSSA-N 445.903 4.326 5 20 IIBD C[C@H](NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1ccc(OCC2CC2)c(F)c1 469440289 GZIJSWKVDXVUNV-LBPRGKRZSA-N 425.416 4.268 5 20 IIBD COc1ccc(Br)c(CN(C)C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c1 469837617 CAXANCWTPSJHES-NSHDSACASA-N 425.254 4.267 5 20 IIBD CCC(CC)[C@@H]1C[C@H](NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)CCO1 478772912 AUGKLYZPLSBBNR-RTWAWAEBSA-N 428.533 4.170 5 20 IIBD CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 479051153 CRSONEFGLHETMV-BUVFEPMLSA-N 426.517 4.486 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Sc3nccn3C)cc2)cc1SC 482019444 ZZKRFLIWCLJFPZ-UHFFFAOYSA-N 430.511 4.462 5 20 IIBD O=C(NCCCc1ccc2c(c1)OCCO2)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 485724629 ZTVRYQHHJXWBTG-UHFFFAOYSA-N 448.475 4.308 5 20 IIBD Cc1cccc(C(=O)NCc2ccc(Cl)cc2I)c1[N+](=O)[O-] 486891538 CNGSORQUIPNCJH-UHFFFAOYSA-N 430.629 4.091 5 20 IIBD COc1cc(C(=O)N2CCc3ccc(Br)cc32)c([N+](=O)[O-])cc1OC(F)F 487602184 JZVFPEATQLAYSV-UHFFFAOYSA-N 443.200 4.170 5 20 IIBD Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1OC(C)C 488442937 NJLUEKFTQBBJCF-FQEVSTJZSA-N 425.485 4.242 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCC[C@H]2C(=O)NCc2ccco2)cc1[N+](=O)[O-] 490898988 BPYNMQMWQOQJBC-SFHVURJKSA-N 445.541 4.247 5 20 IIBD CC(C)(NC(=O)N[C@H]1COc2cc(F)c(Br)cc21)c1ccccc1[N+](=O)[O-] 491116564 YLTQMMUBRVNIAC-AWEZNQCLSA-N 438.253 4.164 5 20 IIBD CCOc1cc(CN2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn34)C2)ccc1[N+](=O)[O-] 492646250 BGEIWEVIHYHHOO-HNNXBMFYSA-N 449.433 4.435 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 500171484 OUFSLQMBKCICPH-INIZCTEOSA-N 429.542 4.387 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCOC[C@@H]1c1nc2ccccc2s1 500596634 IGNZSQYAOKPEPH-OAHLLOKOSA-N 437.399 4.437 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1ccccc1Oc1ccccc1 506184836 UCPUKPLWRGSWED-HNNXBMFYSA-N 440.477 4.282 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CNCc2nnnn2-c2ccccc2)cc1 507946210 QVAPXUDMYHHGQW-UHFFFAOYSA-N 436.859 4.306 5 20 IIBD COc1ccc(Cl)cc1N(C)C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 510726077 SPHBSJGVAKTHBM-UHFFFAOYSA-N 428.876 4.395 5 20 IIBD COc1ccc([C@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c2ccc(F)cc2)cc1 512169032 MYAITNXVWPCCSP-HSZRJFAPSA-N 446.438 4.448 5 20 IIBD COc1ccc(CN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)[C@H](C)C2CC2)c(OC)c1 512545528 PFVMHVPPDXGASH-CQSZACIVSA-N 444.484 4.070 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1 512923947 BMVVUTDQVOPJNT-MRXNPFEDSA-N 428.514 4.133 5 20 IIBD CCOc1ccc([C@@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 513468308 GCGKXCUSUSRVKK-QFIPXVFZSA-N 426.494 4.203 5 20 IIBD O=[N+]([O-])c1cc(I)ccc1N1CCC(OCc2ccccc2)CC1 515547199 OZRROVFBNQSYCG-UHFFFAOYSA-N 438.265 4.385 5 20 IIBD CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1c(Cl)cccc1[N+](=O)[O-] 517641306 PAWNRDVUHFAKJU-UHFFFAOYSA-N 429.782 4.156 5 20 IIBD COc1cc(C(=O)Nc2ccc(NC(C)=O)cc2Cl)c([N+](=O)[O-])cc1OC(F)F 518787388 XMJCNBMLGZMITH-UHFFFAOYSA-N 429.763 4.069 5 20 IIBD C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(NC(=O)c2ccncc2)cc1 522745384 VAHBYRJQJDSVOL-CQSZACIVSA-N 438.871 4.315 5 20 IIBD O=C1NC2(CCCCC2)C(=O)N1Cc1ccccc1CNc1ncc([N+](=O)[O-])cc1Cl 522936650 VSKFWSWVKVLSAH-UHFFFAOYSA-N 443.891 4.010 5 20 IIBD Cc1nn(CCC(=O)N2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)c(C)c1[N+](=O)[O-] 523946258 AEDMUKOCTXCQAX-UHFFFAOYSA-N 440.544 4.118 5 20 IIBD Cn1ccnc1[C@@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 524828202 RWCSDVFWAHKLSL-FQEVSTJZSA-N 441.919 4.393 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 525354349 QLYAOYLXMRPVOK-HXUWFJFHSA-N 425.485 4.235 5 20 IIBD Cc1ccc(Br)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 532611821 MHDRTZDOQXKYGA-UHFFFAOYSA-N 439.209 4.485 5 20 IIBD CCn1cc(S(=O)(=O)Nc2ccc(O[C@H](C)c3ccccc3)cc2C)c([N+](=O)[O-])n1 533786738 DZGGRFBZAKBJKH-OAHLLOKOSA-N 430.486 4.060 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(CCCO)Cc1cccc(Cl)c1 533834126 FJMHIJNFDWYHEU-CYBMUJFWSA-N 427.284 4.080 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N(C)c2cccc3ncccc23)cc1[N+](=O)[O-] 534058730 HBMZAOBVPATJPS-UHFFFAOYSA-N 436.287 4.039 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(NC(=O)c2ccsc2)CC1 537135501 FLBCGWPHYUWUHL-UHFFFAOYSA-N 433.555 4.191 5 20 IIBD COc1cccc(CO[C@@H](C)C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)c1 537152808 TVCUHUMQMVUPNV-AWEZNQCLSA-N 427.482 4.295 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O 538221950 MPMTYLCHZBGOBA-QGZVFWFLSA-N 431.489 4.160 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 538719049 HYPZOJOUBLCVGW-UHFFFAOYSA-N 427.810 4.225 5 20 IIBD C[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(OCc2ccccn2)c1 539252629 LLIWLFZZKBPAIR-GAJHUEQPSA-N 432.480 4.025 5 20 IIBD Cc1cc(C(=O)NCC(=O)Nc2ccc(N[C@@H](C)c3ccccc3)cc2)ccc1[N+](=O)[O-] 541127283 RBKWEFLGRMMVCC-KRWDZBQOSA-N 432.480 4.445 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCc1nc(-c2ccc(F)cc2)no1 541270806 RJQCDWCPBDADCT-CYBMUJFWSA-N 430.461 4.014 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@H](NC(=O)c1ccc(C)cc1)c1ccccc1 541332704 UKBWBNVLXXWHBS-QFIPXVFZSA-N 447.491 4.089 5 20 IIBD COc1ccc(NC(=O)C(=O)N2CCC(c3cccc4ccccc34)CC2)cc1[N+](=O)[O-] 543922888 WNYSRCFNRKEGJU-UHFFFAOYSA-N 433.464 4.101 5 20 IIBD Cc1nc(COc2ccc(/C=C/c3nc(Cc4ccc([N+](=O)[O-])cn4)no3)cc2)cs1 546489562 WIBPXFXLRYRMSJ-RUDMXATFSA-N 435.465 4.478 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 555927784 YDWPDXFEMJUEOO-IRXDYDNUSA-N 441.228 4.204 5 20 IIBD CNC(=O)c1cc(Oc2cccc(NC(=O)c3cc(SC)ccc3[N+](=O)[O-])c2)ccn1 557795031 QBVNLEQHBQFHPQ-UHFFFAOYSA-N 438.465 4.116 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](c1ccccc1)c1nc2ccccc2n1C 558940614 MQLVBFWFLMBOCR-HSZRJFAPSA-N 443.507 4.455 5 20 IIBD CN(C)C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(Cl)cc1 558974202 YNCYXBRMENMCMF-OAQYLSRUSA-N 433.939 4.227 5 20 IIBD Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1c1cccc(Br)c1 566530189 WVBSZPYUSPGFBS-QGZVFWFLSA-N 428.290 4.494 5 20 IIBD Cn1cc(-c2ccc3c(c2)C(C)(C)CN3CC2CN(Cc3cccc([N+](=O)[O-])c3)C2)cn1 582797087 IXNIROOBABEULX-UHFFFAOYSA-N 431.540 4.225 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCCO)N1CC(Cc2cccc(C(F)(F)F)c2)C1 590422304 ASRQSBNZFCQMDY-UHFFFAOYSA-N 440.443 4.013 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 590613620 WIGZFYKFNAIGCH-UHFFFAOYSA-N 447.476 4.342 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1C 603584241 NSIKPBUINRGGPT-GDNZZTSVSA-N 448.385 4.399 5 20 IIBD COc1cc(CSc2nc3ccc(C)cc3c(=O)n2C)c([N+](=O)[O-])cc1OC(F)F 603725527 ZFFBEMBUTRVQNN-UHFFFAOYSA-N 437.424 4.052 5 20 IIBD CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 603989969 CDFGFDNTYAQAPZ-UHFFFAOYSA-N 438.267 4.247 5 20 IIBD O=C(Nc1nc2c(s1)C[C@H](c1ccccc1)CC2)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 604470319 QUKYRPUOYCLZDH-OAHLLOKOSA-N 446.492 4.157 5 20 IIBD O=C(c1csc(-c2ccccc2Cl)n1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 608931730 UGJWNHVVMFBAIF-UHFFFAOYSA-N 428.901 4.334 5 20 IIBD O=C(NCCc1nc(-c2ccccn2)cs1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 609521373 WCEOYMGWBPTTQU-UHFFFAOYSA-N 437.506 4.209 5 20 IIBD Cc1c(C(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)nnn1-c1cccc([N+](=O)[O-])c1 609700312 UOKHCBBRCDCLNR-SFHVURJKSA-N 443.916 4.068 5 20 IIBD CN(C)[C@@H](CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1ccccc1 609853282 HLIICBGDRFPCFU-SFHVURJKSA-N 448.310 4.120 5 20 IIBD CC(=O)NCc1ccc(-c2csc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)n2)s1 610037314 ZPOOZYGANWSHNA-UHFFFAOYSA-N 444.538 4.332 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1 610038609 YQMODAGWXNZHMT-KRWDZBQOSA-N 435.274 4.170 5 20 IIBD CCO[C@H]1C[C@@H](N(C)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C12CCCCC2 610191930 LHBVSZYIDMMQMJ-YADHBBJMSA-N 429.561 4.398 5 20 IIBD CN(C)c1nc(CNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cs1 610468052 SBUNIZYGHSXTOV-UHFFFAOYSA-N 434.525 4.260 5 20 IIBD C[C@@H](c1nc2ccccc2s1)N1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 610769478 HVXAINANOOEGRU-LBPRGKRZSA-N 448.346 4.245 5 20 IIBD Cn1c(SCC(=O)NCc2ccc(Cl)s2)nc2cc3ccccc3cc2c1=O 613973253 RDCODHLUBBJYCC-UHFFFAOYSA-N 429.954 4.210 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)cc1SC 728471733 XQTXTSXYTVOMRA-KBPBESRZSA-N 431.514 4.191 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)nc1 729310357 BTWYHDSAPZPRBT-UHFFFAOYSA-N 446.872 4.005 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)OCc1nc2ccccc2c2ccccc12 730627834 LHANEPBUEXYQJY-UHFFFAOYSA-N 446.415 4.240 5 20 IIBD Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 731709152 GCRQSPJYJHQSLD-UHFFFAOYSA-N 442.424 4.396 5 20 IIBD O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 733876876 XOXQLQRBWGJBAF-UHFFFAOYSA-N 428.452 4.386 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NCC2(c3cccc(Br)c3)CC2)c1[N+](=O)[O-] 734479518 DPGIDNZBBHDXEZ-UHFFFAOYSA-N 436.262 4.210 5 20 IIBD Nc1ccc(C(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)cc1[N+](=O)[O-] 735061713 ZWYAYLNPNCSICF-UHFFFAOYSA-N 446.250 4.383 5 20 IIBD C[C@@H](OC(=O)c1cccc(Oc2cnccn2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 736924718 LOXYUZVFWSOMIV-GFCCVEGCSA-N 442.815 4.015 5 20 IIBD COc1cc(N2CCC(OC(=O)c3ccc(COC(C)C)cc3)CC2)ccc1[N+](=O)[O-] 739380367 MXWYBZJBUFVAKY-UHFFFAOYSA-N 428.485 4.354 5 20 IIBD CC(C)C(=O)Nc1ccc(Cl)c(C(=O)O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c1 745185773 AKJGPBDBURELRX-GFCCVEGCSA-N 433.848 4.027 5 20 IIBD O=C(OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cc(Oc2ccccc2)ccn1 745949298 DCLYYOYUKLDJAV-UHFFFAOYSA-N 441.827 4.022 5 20 IIBD O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 746056507 NDCFFLNUKQYOMT-AWEZNQCLSA-N 437.279 4.497 5 20 IIBD Cc1nnc(-c2cccc(C(=O)Oc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)c2)o1 746106425 JSSCNMQBRXZFNB-UHFFFAOYSA-N 444.403 4.425 5 20 IIBD Cc1cc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 747084622 MEANCOZBXVUVRA-INIZCTEOSA-N 427.505 4.101 5 20 IIBD CCCN(CC(C)(C)O)C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 747414379 GJFVZCTZECHLCE-UHFFFAOYSA-N 433.892 4.124 5 20 IIBD CCn1cc(CC(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c2ccccc21 748414138 BWJGTJPVDHZFRU-CYBMUJFWSA-N 429.860 4.336 5 20 IIBD Cc1c(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748616880 BWKPZOVCWVMNMY-UHFFFAOYSA-N 448.435 4.302 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1ccn(-c2cccc(F)c2)n1 748864146 WRDXTDXIOKXUFQ-UHFFFAOYSA-N 427.435 4.223 5 20 IIBD C[C@H]1CN(c2ccccc2NC(=O)c2cc([N+](=O)[O-])ccc2Br)C[C@@H](C)O1 751093036 JLFZSVUXVRASAD-BETUJISGSA-N 434.290 4.223 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N2CCCC[C@@H]2c2nc3ccccc3n2C)cc1[N+](=O)[O-] 752236817 ZFYDONGGVLERMP-QGZVFWFLSA-N 448.932 4.359 5 20 IIBD CCOc1cc(C(=O)OCc2cccc(SC(=O)N(C)C)c2)c([N+](=O)[O-])cc1OC 752533014 ZPNKVSMNGWVVPK-UHFFFAOYSA-N 434.470 4.133 5 20 IIBD C[C@H](OC(=O)/C=C\c1cccc(O)c1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 753463445 HOGWMBVBBNCIRZ-YXVBKTCISA-N 439.449 4.008 5 20 IIBD CCO[C@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C12CCCCC2 755011779 ALBXFBQOUGLHLA-CABCVRRESA-N 429.286 4.354 5 20 IIBD COc1cc(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)sc1Br 759363612 INFHAZQHCKIYTA-UHFFFAOYSA-N 439.243 4.439 5 20 IIBD CN(C)[C@H]1CCCN([C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)CC1 759977769 PYPYJDDGWOUUGL-RXVVDRJESA-N 430.936 4.344 5 20 IIBD C[C@@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ncc(Cl)cc1Cl 762988268 IOAINTHBBQUJBF-SECBINFHSA-N 444.246 4.284 5 20 IIBD Cc1c(C(=O)N2CCc3cc(Br)cc(F)c32)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 764319118 RSKBMKPIOBATAU-UHFFFAOYSA-N 438.209 4.224 5 20 IIBD Cn1ccnc1[C@@H](NC[C@@H](O)c1ccc(-c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 768537917 XTHXDIGTGQYRTG-RPWUZVMVSA-N 428.492 4.408 5 20 IIBD COc1cc(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)sc1Br 770330021 GFHPJWXIXNRPBH-UHFFFAOYSA-N 436.081 4.442 5 20 IIBD O=C(COc1ccccc1OCC(F)(F)F)Nc1ccc(Br)c([N+](=O)[O-])c1 770331030 QFVGYBRYELKSDS-UHFFFAOYSA-N 449.179 4.316 5 20 IIBD COc1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1-n1nnnc1C 770553583 WIXSCLQGOZRADV-UHFFFAOYSA-N 440.847 4.413 5 20 IIBD O=C(CN[C@@H](c1ccccc1)C(F)(F)F)OCc1ccc(Br)c([N+](=O)[O-])c1 773458607 LCIGWRGTENDCNY-INIZCTEOSA-N 447.207 4.294 5 20 IIBD O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)c1sc(Br)cc1[N+](=O)[O-] 773606489 USULJVSJPCQNPN-UHFFFAOYSA-N 428.304 4.361 5 20 IIBD Cc1nc(C2CCCCC2)sc1C(=O)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 775123980 XLOANCDHFIIBOW-UHFFFAOYSA-N 429.498 4.154 5 20 IIBD Cc1cc(C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cc(O)n1 777136257 DODSPBZOHWRGCP-IBGZPJMESA-N 441.827 4.194 5 20 IIBD O=C(NCc1ccccn1)c1cccc(NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 777239922 XSXRTNCNOUQHJM-UHFFFAOYSA-N 431.496 4.001 5 20 IIBD CC[C@H](C)N(Cc1ccccc1)C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br 782957269 SNTJIAOAFOPIMQ-AWEZNQCLSA-N 448.317 4.432 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 783032944 OXCUIHIKUKBQHI-SJORKVTESA-N 432.521 4.105 5 20 IIBD CC1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN(C(=O)OC(C)(C)C)CC1 783933123 XMTUHCRDPWIILY-UHFFFAOYSA-N 426.901 4.407 5 20 IIBD CC1=C(C(=O)N(C)C)[C@H](c2ccc([N+](=O)[O-])cc2Cl)NC(=S)N1c1cccc(F)c1 783940948 HTGALHPGTDNUGC-SFHVURJKSA-N 448.907 4.185 5 20 IIBD O=C(OCCc1cccc(Cl)c1Cl)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 788942645 ZVUSBVOJWAWCJB-ZDUSSCGKSA-N 443.308 4.354 5 20 IIBD CCOc1cc(C(=O)OCc2ncc(C)c([N+](=O)[O-])c2C)ccc1OCc1cccnc1 789443634 WFTRAONZEFWDGB-UHFFFAOYSA-N 437.452 4.336 5 20 IIBD CCCC(=O)Nc1ccc(C(=O)COc2cc(F)c(Br)cc2[N+](=O)[O-])cc1 790295560 KQNCDMIPIDJSCK-UHFFFAOYSA-N 439.237 4.497 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1cc2c(cc1Br)OCCO2 790537775 FTHKCUWDJULWRZ-UHFFFAOYSA-N 445.628 4.102 5 20 IIBD CN(C)c1cc(F)c(C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)cc1[N+](=O)[O-] 791333937 SXYLESZPLZEKQP-UHFFFAOYSA-N 428.395 4.056 5 20 IIBD COc1cc(CN2CCC3(CC2)CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])cc1OC 792182964 JTJNCKMQLDJVFM-UHFFFAOYSA-N 449.548 4.225 5 20 IIBD CC(=O)NC1(c2noc(-c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)n2)CCCCC1 795718112 QWLAZGRXRLQELG-UHFFFAOYSA-N 427.505 4.177 5 20 IIBD O=C(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1ccc(Cl)c(Cl)c1 798278171 GFRCVKYRCOVUKA-UHFFFAOYSA-N 438.267 4.297 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@H](O)c1ccc(C(F)(F)F)cc1 807795971 NOSHSPQSKMNVCC-NRFANRHFSA-N 440.421 4.023 5 20 IIBD CC[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1Cl)[C@H](c1ccc(C)cc1)n1cncn1 809912498 DZQIGTJSWAFTID-KXBFYZLASA-N 428.880 4.338 5 20 IIBD Cc1nnc(-c2ccc(NCc3cc(I)cc([N+](=O)[O-])c3)cc2)o1 810150058 LGRHEWPDBAPSON-UHFFFAOYSA-N 436.209 4.170 5 20 IIBD CCOc1ccc([C@H](O)C2CCN(C(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)CC2)cc1 812674003 QPEDNTQHDICWPI-NYHFZMIOSA-N 430.476 4.208 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl 813291930 FEOIOYDYLLIJSQ-UHFFFAOYSA-N 439.921 4.140 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)N1CCC2(CC1)OCCCO2 815154861 VFSMLOIKAQILMA-HXUWFJFHSA-N 445.903 4.157 5 20 IIBD C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 816996179 JQWDLLKENHSJRA-SGTLLEGYSA-N 442.365 4.120 5 20 IIBD CN(CC(=O)NC(c1ccccc1)c1ccccc1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 817026161 QVWRODVDAOXSJJ-UHFFFAOYSA-N 437.883 4.226 5 20 IIBD CC[C@H](C)NC(=O)[C@@H](C)OC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 854987953 NEYWSEIOXJGDOK-UONOGXRCSA-N 433.892 4.320 5 20 IIBD CCCCC(=O)O[C@@H](c1ccccc1)[C@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 864021890 HJRWEMREEILRJV-HRAATJIYSA-N 434.514 4.079 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 914722045 VNKFACWTCBDOSW-HNNXBMFYSA-N 444.221 4.423 5 20 IIBD COc1ccc(CSCC(=O)O[C@H](C)c2nc(-c3cccs3)no2)cc1[N+](=O)[O-] 914917424 LMHQXOFLWUJDTI-LLVKDONJSA-N 435.483 4.253 5 20 IIBD CCOCCCNC(=O)C1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 915213359 VQJPLXDXVVHVRR-UHFFFAOYSA-N 437.846 4.026 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2SC(F)(F)F)cc1OC 915655225 CAGUSLIHPVGXEP-UHFFFAOYSA-N 446.403 4.493 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CN(C)c1ccc2ncccc2c1[N+](=O)[O-] 916984517 LGQKVFGBWQPGMS-UHFFFAOYSA-N 429.274 4.289 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(O[C@H](C)c2ccccc2)nc1 919213648 GVVOODAONNRAFK-MRXNPFEDSA-N 435.436 4.234 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC(=O)N[C@H](C)c1ccc(Cl)cc1 920778428 RRZZYLMRKAKWHG-NEPJUHHUSA-N 441.267 4.090 5 20 IIBD Cn1cnn(-c2ccc(NCc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)cc2)c1=O 1319742700 WTGVKBSLIWOMKF-UHFFFAOYSA-N 425.832 4.005 5 20 IIBD O=C(Cc1cccc(F)c1)NCCNCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 1338751103 KFDMRQZTMOSATF-UHFFFAOYSA-N 431.851 4.096 5 20 IIBD COc1cc(C(=O)Nc2ccc(C3(NC(=O)/C=C/C4CC4)CCC3)cc2)ccc1[N+](=O)[O-] 1792164258 XVXGCBFIQZTLFK-LFYBBSHMSA-N 435.480 4.317 5 20 IIBD C/C=C(\C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(F)ccc([N+](=O)[O-])c2C)n[nH]1 1821285301 AQKOFMSCHINXAB-SXIQUOTHSA-N 429.452 4.038 5 20 IIBD O=C(c1c(F)cccc1F)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823613717 KFOORDXNPVOFLJ-KRWDZBQOSA-N 447.438 4.013 5 20 IIBD O=C(C1CCC1)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 1824160449 CRISBJKFBNOWNB-FQEVSTJZSA-N 447.963 4.211 5 20 IIBD Cc1ccc(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C3)c(Cl)c1 1846811612 GPZZAYXFIGKMMN-CSKARUKUSA-N 439.899 4.087 5 20 IIBD CNc1ccc(C(=O)O[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 9924406 ACDWFMIEYUDJAQ-INIZCTEOSA-N 433.464 4.088 5 20 IIBD CSc1ccc(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-] 15028052 GZDCQXFSWGCZSG-UHFFFAOYSA-N 434.827 4.226 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)Cc2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])c1 15690383 YOWXFLAVZWWPEC-MRXNPFEDSA-N 434.448 4.383 5 20 IIBD C[C@H](OC(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)Nc1ccccc1[N+](=O)[O-] 16320462 GQUJERVRXBMTQE-AWEZNQCLSA-N 426.400 4.497 5 20 IIBD Cc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 17045120 RKIOZABXEHAVBO-HNNXBMFYSA-N 445.903 4.343 5 20 IIBD Cc1nn(Cc2ccc(C(=O)OCc3cn4cc(Cl)ccc4n3)cc2)c(C)c1[N+](=O)[O-] 17159632 SLYXFKXJSHKSBV-UHFFFAOYSA-N 439.859 4.115 5 20 IIBD O=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCN(c2ccccc2[N+](=O)[O-])CC1 18077856 SRYCIDGKNZHWNO-UHFFFAOYSA-N 439.475 4.167 5 20 IIBD Cc1nc(-c2ccccc2)c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 18764991 KEACOLITEGKKGQ-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD Cc1c(C(=O)OCC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)cccc1[N+](=O)[O-] 22910990 BRSMYZGXVFVLSX-HSZRJFAPSA-N 436.439 4.447 5 20 IIBD COc1ccc(NC(=O)CCSc2nnc(-c3ccc(C)c(C)c3)o2)c([N+](=O)[O-])c1 26351421 ICEYIXJDEFAICB-UHFFFAOYSA-N 428.470 4.391 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCSc1nnc(NCc2ccccc2)s1 26363367 PMSAYQDSCALTIP-UHFFFAOYSA-N 445.526 4.188 5 20 IIBD CSCC[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)OCC1CCCCC1 26911429 HRMFJRXLTHPCHV-MRXNPFEDSA-N 428.938 4.223 5 20 IIBD CCn1c(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)nnc1-c1ccccc1OC 31843640 HLPSHDDFNFNOFH-UHFFFAOYSA-N 438.469 4.224 5 20 IIBD Cc1nc2c3ccccc3nc(S[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)n2n1 45699366 NHENQIBBGUQEGY-LLVKDONJSA-N 433.453 4.397 5 20 IIBD O=C(NCc1ccccc1CN1CCN(c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1 46919023 RNZBOEPFEBHCJA-UHFFFAOYSA-N 445.523 4.239 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCc2cc([N+](=O)[O-])ccc21 105691770 ZXSCWMFHZIJRJE-SNVBAGLBSA-N 425.666 4.367 5 20 IIBD CCS(=O)(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cc1 108595218 VTPUHFHQSJTILC-UHFFFAOYSA-N 441.465 4.401 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2ncc(Cl)cc2Cl)CC1 409753460 LJMORTAHSLYITD-UHFFFAOYSA-N 430.679 4.304 5 20 IIBD O=C(CCSCc1nc(-c2cc(F)c(F)c(F)c2)no1)Nc1ccccc1[N+](=O)[O-] 409850662 VJOJCPFYXDVWIX-UHFFFAOYSA-N 438.387 4.324 5 20 IIBD COc1ccc(CSCC(=O)Nc2nnc(Cc3cccc(F)c3)s2)cc1[N+](=O)[O-] 410029985 MBKPMXPDPKNNQW-UHFFFAOYSA-N 448.501 4.057 5 20 IIBD O=C(N[C@@H]1CCc2ccc(-c3ccccc3)cc21)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 426188648 WAWUTSXAGDAKIG-JOCHJYFZSA-N 431.496 4.492 5 20 IIBD Cn1ccnc1[C@@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(Cl)cc1 426229744 IUDPERWSQXDEES-FQEVSTJZSA-N 439.903 4.445 5 20 IIBD CCCC[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C 430325360 WVKSIGFEHSZFNM-TZMCWYRMSA-N 426.311 4.079 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(CCc1ccccn1)Cc1cccnc1 431304611 HTNOARLMCHFRBZ-UHFFFAOYSA-N 430.386 4.289 5 20 IIBD Cc1ccccc1[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(C)(C)C 431355356 ABWTVLZOLJKXJA-QGZVFWFLSA-N 435.427 4.347 5 20 IIBD CS(=O)(=O)c1ccc(CNc2ccnc3c([N+](=O)[O-])cccc23)cc1C(F)(F)F 432133580 NROLGNGVTPTQIM-UHFFFAOYSA-N 425.388 4.177 5 20 IIBD COc1cc(C(=O)Nc2cc(Br)ccc2OC(C)C)cc([N+](=O)[O-])c1OC 434331141 XGIFUXWFQHJXIN-UHFFFAOYSA-N 439.262 4.414 5 20 IIBD C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c2cc(Br)ccc2O1 436337369 BTZVVOHSIWMUQL-VIFPVBQESA-N 443.200 4.386 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCC[C@H](c2nccs2)C1 436418890 YJRZEOLIQYISON-LBPRGKRZSA-N 425.460 4.436 5 20 IIBD O=C(Nc1ccc(NC(=O)c2cccs2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 438807926 AFNNACZLKNSYOJ-UHFFFAOYSA-N 444.856 4.139 5 20 IIBD COC(=O)c1cc(Br)cc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)c1Cl 440165263 ZAGCCUUBNXWQIZ-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD COc1ccccc1COc1cccc(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)c1C 441832734 JQKZWEAZDVOUFY-UHFFFAOYSA-N 435.436 4.068 5 20 IIBD CS(=O)(=O)c1cccc([C@@H](NC(=O)c2ccccc2[N+](=O)[O-])c2ccc(Cl)cc2)c1 443939798 XUCKQGPNSBJTMS-FQEVSTJZSA-N 444.896 4.171 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCCC[C@@H](N2CCCC2)C1 444014359 ZJDCIFVEQARPDK-MRXNPFEDSA-N 425.479 4.050 5 20 IIBD O=C(Cc1csc(-c2ccccc2Cl)n1)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444634023 GCONYLCHCQGPAX-UHFFFAOYSA-N 427.873 4.107 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 444895195 BCVSJATXIYXTKV-ORAYPTAESA-N 436.871 4.210 5 20 IIBD CC(C)(c1noc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)n1)c1ccc(Cl)cc1F 445588293 QMVSIYLXZYDXBL-UHFFFAOYSA-N 428.811 4.344 5 20 IIBD Cc1ccccc1[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)[C@H](C)CO1 447038367 FANCKCDPRLEESI-CXAGYDPISA-N 444.431 4.073 5 20 IIBD O=[N+]([O-])c1ccccc1CN(c1nnc([C@H]2CCOC2)n1CCc1ccccc1)C1CC1 460417746 BHJJTQZPTMTKFQ-FQEVSTJZSA-N 433.512 4.102 5 20 IIBD CCN(c1ccccc1)c1ccc(CNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 460583297 KOLCIODXKMBZKJ-UHFFFAOYSA-N 446.507 4.189 5 20 IIBD C[C@H]1Cc2ccccc2CN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCO1 461659612 HHIYSORKWJLVAO-JTSKRJEESA-N 433.512 4.374 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@](CO)(c3ccccc3)C2)cc1 462965480 IMBMKDGUZHJFBP-VWLOTQADSA-N 448.475 4.172 5 20 IIBD C[C@@H](C(=O)N(CCCOc1ccccc1)C1CCOCC1)c1ccc([N+](=O)[O-])cc1F 463884168 CZZFSEOSKFCLTA-QGZVFWFLSA-N 430.476 4.314 5 20 IIBD COC(=O)Cn1cc(NC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)cn1 464449761 KTHKJSLYHRERIZ-UHFFFAOYSA-N 446.872 4.021 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N(CCc2ccc(C)cc2)C[C@H]2CCCO2)cc1OC 464666735 IXYCSTWXIGKHPU-LJQANCHMSA-N 442.512 4.174 5 20 IIBD COc1ccc(OC(F)F)c(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 465078481 WBNIRWNLUIVCEB-UHFFFAOYSA-N 438.430 4.081 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N[C@H]1CCOc2c(-c3ccccc3)cccc21 465175929 SPHYXJWMMMFPQK-FQEVSTJZSA-N 446.459 4.216 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCc3ncoc3-c3ccccc3)cc2)c(C)c1[N+](=O)[O-] 467605683 CIICZZADNVEYCQ-UHFFFAOYSA-N 431.452 4.041 5 20 IIBD Cc1ccc([C@H]2OCCC[C@H]2NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 470265675 GQLKZWUMBLJEJV-AJTFRIOCSA-N 426.516 4.500 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1 470843114 BVQFHFYXSFJKJB-UHFFFAOYSA-N 437.427 4.315 5 20 IIBD Cc1csc(C(=O)N2CCCc3c2cccc3[N+](=O)[O-])c1I 471229737 FBKPGBGQMWJOKJ-UHFFFAOYSA-N 428.251 4.162 5 20 IIBD COC1CCC(C)(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 471259128 LWIHLILBDOZXMC-NEAIJXHWSA-N 426.517 4.488 5 20 IIBD Cc1nnc(-c2cc(F)ccc2NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)o1 471393411 SMERHHPWTQMCID-UHFFFAOYSA-N 435.209 4.036 5 20 IIBD Cc1cc(S(=O)(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)ccc1[N+](=O)[O-] 479144928 AJNLNKBAQLZPCL-UHFFFAOYSA-N 428.854 4.015 5 20 IIBD Cc1cc(C(=O)COc2ccc(I)cc2[N+](=O)[O-])c(F)cc1F 479180308 URQIADIZQUCIJV-UHFFFAOYSA-N 433.148 4.048 5 20 IIBD COc1cc(C(=O)Nc2cc(I)ccc2C)cc([N+](=O)[O-])c1C 480405267 ANLQDPMTDOQVAQ-UHFFFAOYSA-N 426.210 4.077 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)OC)(c2ccccc2)CC1 481934601 ZEMKVSYOABMEON-UHFFFAOYSA-N 428.510 4.054 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3C[C@H](C)O[C@@]4(CCCOC4)C3)cc2[N+](=O)[O-])cc1 482967488 YJHFGXRMQOHBHD-SBUREZEXSA-N 442.537 4.465 5 20 IIBD Cc1c(CNC(=O)C(=O)Nc2ccccc2Nc2ccc(F)cc2F)cccc1[N+](=O)[O-] 483815354 BQVAJWDWIRHYBO-UHFFFAOYSA-N 440.406 4.180 5 20 IIBD O=C(Nc1cnn(Cc2ccncc2)c1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 486208896 YVQFGXSMEWMBQZ-UHFFFAOYSA-N 428.452 4.099 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 488086969 FIIXJENHQVEZGD-RDTXWAMCSA-N 445.903 4.047 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@@H](c4nc5c(s4)CCCC5)C3)o2)cc1 490058997 VFHJOUCTTPQHRM-OAHLLOKOSA-N 425.514 4.360 5 20 IIBD CN(Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 490111669 KIOWNJGZJFBKIJ-UHFFFAOYSA-N 437.418 4.056 5 20 IIBD COc1cc(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 493464915 NEYUBQNFOPNTMO-KDOFPFPSSA-N 445.903 4.215 5 20 IIBD CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 493958499 RROWJXSYMGYZNR-QGZVFWFLSA-N 438.528 4.353 5 20 IIBD CCN1CCN(c2ccc(NC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])c(C)c2)CC1 494444441 LXDIMUCDYBSGHP-UHFFFAOYSA-N 425.533 4.102 5 20 IIBD Cc1ccc(-c2n[nH]c(SCC(=O)N3CCS[C@@H]3c3ccc([N+](=O)[O-])cc3)n2)cc1 498151906 FPGVCYALDDVQQM-LJQANCHMSA-N 441.538 4.055 5 20 IIBD O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccc([N+](=O)[O-])c2cccnc12 498287718 MVACMAQQIMPKSA-UHFFFAOYSA-N 438.399 4.196 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2nc3c(F)c(F)ccc3s2)cc1[N+](=O)[O-] 500637289 UXXGPUNIMIOQKX-UHFFFAOYSA-N 448.436 4.015 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-n2nnnc2SC)c1 502675724 AGAHOHDDIDZNGF-UHFFFAOYSA-N 430.515 4.047 5 20 IIBD C[C@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)[C@@H](c1ccccc1)N(C)C 505590618 IERHHYVVPBSEIW-PSLXWICFSA-N 435.474 4.381 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Oc2ccncc2)c(Cl)c1 505760668 WBCMHIMNESXVTG-ZDUSSCGKSA-N 440.843 4.193 5 20 IIBD COC(=O)c1ccc(F)c(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 506084527 AXBUTGQGKQJWGN-ZDUSSCGKSA-N 438.415 4.341 5 20 IIBD Cc1cc(OCCn2cnc3c(cnn3-c3ccccc3[N+](=O)[O-])c2=O)ccc1C(C)C 508309512 REYYCRVWXQRNJU-UHFFFAOYSA-N 433.468 4.001 5 20 IIBD C[C@@H]1CCCN(C(=O)C2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)C1 509542459 NCOFOGGOTCWMDQ-MRXNPFEDSA-N 428.558 4.189 5 20 IIBD O=C(NCCc1ccsc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 511675408 WDVNYRXUTWSBFU-UHFFFAOYSA-N 433.536 4.166 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@H](c4nnc5n4CCC5)C3)o2)c(Cl)c1 513667559 RZHVVFXRKAEMCG-AWEZNQCLSA-N 427.892 4.426 5 20 IIBD COc1cc(C)c(CN(C)C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1OC 514717176 LDGULXNDGWNSNU-UHFFFAOYSA-N 441.528 4.429 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccccc1CS(=O)(=O)c1ccccc1 518648377 BMVAAJBGCHBABN-UHFFFAOYSA-N 442.518 4.300 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-])c1ccccn1 518758709 GETSRDPYCKFETO-SQNIBIBYSA-N 425.533 4.013 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(-c3cccc4ccccc34)o2)c2ncccc12 519683410 VZCRYGKQXQRFCD-UHFFFAOYSA-N 447.432 4.147 5 20 IIBD O=C(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)N1N=C(c2ccco2)C[C@H]1c1cccs1 521438635 ZQHZKSWAXLDGDC-IBGZPJMESA-N 447.476 4.491 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1 522323572 SXEBURNAVJCPAO-FXAWDEMLSA-N 449.429 4.182 5 20 IIBD COc1ccc(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c(C(F)(F)F)c1 522553678 JWXZMYOBGZPGJN-UHFFFAOYSA-N 437.418 4.155 5 20 IIBD COc1cc(Cl)c(C(=O)COc2ccc(Br)cc2[N+](=O)[O-])cc1OC 525112478 KKVCDPZUXQAHQR-UHFFFAOYSA-N 430.638 4.290 5 20 IIBD O=C(c1ccccc1C(F)(F)F)N1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 530384492 AQLKHRRZNHMCFC-UHFFFAOYSA-N 430.386 4.124 5 20 IIBD C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1cc(I)cc([N+](=O)[O-])c1 536553060 YSKXVOSEXXZAND-WFASDCNBSA-N 436.249 4.218 5 20 IIBD O=C(CCn1cc([N+](=O)[O-])cn1)N(Cc1ccccc1)Cc1ccc(Br)cc1 536780900 YQPBNJIIHVEIJG-UHFFFAOYSA-N 443.301 4.173 5 20 IIBD CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 537146133 RNUVLPMOBPWQNB-QGZVFWFLSA-N 444.538 4.197 5 20 IIBD C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](C(=O)Nc1ccccc1)c1ccccc1 537971241 FJKYEZOARKZVPR-HXOBKFHXSA-N 432.480 4.282 5 20 IIBD CN(C(=O)c1cn(-c2ccc(Cl)cc2)nn1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 538254645 FGAYBRLLZUROFC-UHFFFAOYSA-N 440.872 4.229 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[C@H](c4n[nH]c(-c5ccccc5)n4)C3)o2)c1 538666131 OWUIESBYWHSPCK-IBGZPJMESA-N 444.495 4.457 5 20 IIBD CCN(CCC1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1)CC(C)C 539137292 JQAMYWRCQQYSKV-UHFFFAOYSA-N 427.549 4.001 5 20 IIBD Cc1cnn(-c2ccc(S(=O)(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)cc2F)c1 539955481 ISLNKJMLXRJBEP-UHFFFAOYSA-N 444.366 4.048 5 20 IIBD COc1ccc(C2(CNC(=O)Cn3c4ccccc4c(=O)c4ccccc43)CCC2)cc1 541368706 YIPNEMROWYWZMS-UHFFFAOYSA-N 426.516 4.401 5 20 IIBD CS(=O)(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)cc1 541610400 IIWXJRMMYFPNJL-UHFFFAOYSA-N 448.566 4.211 5 20 IIBD O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 541796559 KLCQWSZYKLGPAE-UHFFFAOYSA-N 429.889 4.385 5 20 IIBD C[C@H](C(=O)Nc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1)c1ccc([N+](=O)[O-])cc1F 542513306 OVLAJJVCHILHSS-NSHDSACASA-N 449.485 4.003 5 20 IIBD O=[N+]([O-])c1cc2c(O)ncnc2cc1N1CCC(c2cccc(Br)c2)CC1 543068437 YCCBBPPUYKWVMY-UHFFFAOYSA-N 429.274 4.390 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3csc([C@@H]4CCCO4)n3)n2)c(Br)c1 545017770 NUGKODJOEINUAN-ZDUSSCGKSA-N 437.275 4.306 5 20 IIBD CC1(C)C[C@@H](NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 545222341 ODKMAFLEIUUQQB-IBGZPJMESA-N 434.496 4.064 5 20 IIBD O=[N+]([O-])c1ccccc1-n1ccc(-c2nc(-c3cnc(Oc4ccccc4)cn3)no2)n1 545812663 HZDMOIFGXVXBJH-UHFFFAOYSA-N 427.380 4.080 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc([C@H]2CC(=O)N(Cc3ccccc3)C2)no1 547250098 ZPFYNDPYHAKKDK-ZFWWWQNUSA-N 442.859 4.287 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 548383080 JQECWGHVBKBLEI-UHFFFAOYSA-N 443.332 4.489 5 20 IIBD CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C(=O)Nc2ccccc2)C1 549861183 OGKHPDNIJIDTQO-LJQANCHMSA-N 448.527 4.364 5 20 IIBD COc1ccccc1O[C@H]1CCCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 553233158 SHEWPFGAGIYWEJ-SFHVURJKSA-N 433.464 4.349 5 20 IIBD COc1ccc([C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C2CC2)cc1 556506159 CEDAKOROGAPMLT-HXUWFJFHSA-N 425.485 4.107 5 20 IIBD CC(C)(NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccccc1[N+](=O)[O-] 557966995 HBIPGTTVZFODHK-UHFFFAOYSA-N 438.505 4.234 5 20 IIBD COc1cc(OC)cc(C2(F)CCN(c3c(Br)cncc3[N+](=O)[O-])CC2)c1 558787288 LBPUIBGVWNXKBH-UHFFFAOYSA-N 440.269 4.235 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(Cc2cc(Br)cnc2O)no1 561894267 RTWJFRKPALSPGG-GFCCVEGCSA-N 433.262 4.168 5 20 IIBD CCCc1c(-c2nc(-c3c([N+](=O)[O-])nc(C)n3C)no2)nnn1-c1cccc(C(C)C)c1 564369006 KPBNJLIWCMKULI-UHFFFAOYSA-N 436.476 4.010 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1(c2cccc(Cl)c2)CCCC1 567406208 UHHLNGAUOUSVKQ-UHFFFAOYSA-N 431.876 4.171 5 20 IIBD COc1cc(Cc2noc(-c3ccc(COC(F)(F)F)cc3)n2)c([N+](=O)[O-])c(OC)c1 570550361 FGWSNAHMHXHECG-UHFFFAOYSA-N 439.346 4.289 5 20 IIBD C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2ccccc2)C[C@@H](C2CC2)O1 581025067 ZSNFOSOWCDVXSX-VGSWGCGISA-N 433.512 4.100 5 20 IIBD Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 588939944 WGVHSXKVOFZJPE-SFHVURJKSA-N 449.429 4.204 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NCc1ccc(O)cc1 600873477 APEKRKMQABSGFK-UHFFFAOYSA-N 428.448 4.012 5 20 IIBD COC(=O)c1cc(C(=O)N[C@@H](C)c2ccc(OC3CCCC3)c(OC)c2)cc([N+](=O)[O-])c1 603764690 QSZUCQQOYOENML-AWEZNQCLSA-N 442.468 4.202 5 20 IIBD CC(C)CNC(=O)c1ccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1Cl 604004801 RQGVTUQODBZLJD-UHFFFAOYSA-N 441.875 4.072 5 20 IIBD CCc1cccc2c(C3CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4F)CC3)c[nH]c12 604042474 CEXXLTCHBDUXAR-UHFFFAOYSA-N 431.489 4.346 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2cccnc2N2CCCC2)cc1[N+](=O)[O-])c1ccccn1 604335911 GXLACAYKORVZOH-MRXNPFEDSA-N 432.484 4.410 5 20 IIBD Cc1ccc(Oc2ccccc2NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 604524323 PJYCDYHJDVKZDU-UHFFFAOYSA-N 434.452 4.133 5 20 IIBD O=[N+]([O-])c1cc(CN[C@H]2CCCc3c2cnn3CCO)ccc1Oc1ccccc1Cl 608782062 OIHGNDUJNNTSTH-SFHVURJKSA-N 442.903 4.397 5 20 IIBD CC[C@@H](C)[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)C(=O)N1CCC(Cc2ccccc2)CC1 609374163 RZRKPRLOCFCASQ-IERDGZPVSA-N 443.569 4.282 5 20 IIBD CCCCOc1ccc(OC)cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 609500582 XDCQZIRGAATQQW-INIZCTEOSA-N 447.513 4.087 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCS[C@@H](c3ccccc3)C2)c(C(F)(F)F)c1 610957449 FFYKUFFJEFRZIY-OAHLLOKOSA-N 432.445 4.092 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)N1CCc2c[nH]nc2C1 611012499 RHHCCABOPYPQPT-UHFFFAOYSA-N 445.838 4.171 5 20 IIBD CC(=O)Nc1cccc(OCCNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)c1 611203815 SBVFBJWBIJWBFP-UHFFFAOYSA-N 443.525 4.397 5 20 IIBD COCCn1cc2c(n1)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)CCC2 611567130 HEUGAUMNWLFQRI-LJQANCHMSA-N 444.557 4.280 5 20 IIBD C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 619578194 CTUVAZSBEQVJMX-HQJJXPTPSA-N 439.350 4.078 5 20 IIBD COc1ccc2nc(Cl)ccc2c1S(=O)(=O)Oc1ccc([N+](=O)[O-])c(Cl)c1 725829117 UBABUOQNHQLFGX-UHFFFAOYSA-N 429.237 4.226 5 20 IIBD CC(=O)Nc1cc(Cl)ccc1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 727529878 QOEFQRLHFMSGKG-VIFPVBQESA-N 440.239 4.044 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2csc(-c3ccccc3C)n2)c([N+](=O)[O-])c1 727562155 SGXHQMQXSWZQBR-ZDUSSCGKSA-N 441.465 4.219 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)O[C@H](C)C(=O)NCc3cccs3)cc2[N+](=O)[O-])C1 728943338 MOSZJFBVDMGKDF-OWCLPIDISA-N 445.541 4.000 5 20 IIBD COc1c([N+](=O)[O-])cc(NC[C@H]2CCOc3ccccc32)c([N+](=O)[O-])c1Br 731208760 NHDRUQHHCHHFKS-SNVBAGLBSA-N 438.234 4.252 5 20 IIBD COc1cc(OC)cc(C2=N/C(=C/c3csc(-c4cccc([N+](=O)[O-])c4)n3)C(=O)O2)c1 733087232 OUYOHMJSYYMDMG-GIJQJNRQSA-N 437.433 4.080 5 20 IIBD O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C1(c2ccc(F)cc2)CCCC1 735337085 IOBXMCNDMBOWKS-UHFFFAOYSA-N 428.416 4.087 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCCC[C@H]2c2ccco2)cc1Br 736642169 TZTQZNPWDSFAQJ-HNNXBMFYSA-N 429.292 4.256 5 20 IIBD COc1cc(N2CCC(OC(=O)Cc3coc(-c4cccs4)n3)CC2)ccc1[N+](=O)[O-] 739381116 RIIMXHQAWAKSSZ-UHFFFAOYSA-N 443.481 4.075 5 20 IIBD C[C@@H](OC(=O)Cc1c[nH]c2ccc(Cl)cc12)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 740299264 HLIMSUFKYIGSFC-SNVBAGLBSA-N 436.251 4.496 5 20 IIBD Cc1c(C(=O)N2CCN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)CC2)sc2ccccc12 741200139 IUVGHDVWGCICBU-FLIBITNWSA-N 435.505 4.116 5 20 IIBD CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 744365694 JTUYPXRFYCSWEH-GOSISDBHSA-N 431.411 4.037 5 20 IIBD C[C@H](CC(=O)O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1C(F)(F)F 745222259 KBGYBCPHYPCJSS-FZKQIMNGSA-N 436.386 4.456 5 20 IIBD O=Cc1c(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)ccc2ccccc12 746606072 YNVCRKOROCCDSA-UHFFFAOYSA-N 436.239 4.091 5 20 IIBD CC(C)(CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccc2c(c1)OCCO2 746808890 NPRXJJDLZOEZRX-UHFFFAOYSA-N 439.512 4.064 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CCOc2c1ccc(Cl)c2Cl 753066826 QPABTQUYWOYNDA-AWEZNQCLSA-N 426.256 4.233 5 20 IIBD O=C(OCc1csc(CCc2ccccc2)n1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 753464841 HEEZFGNZUVIPJD-UHFFFAOYSA-N 435.461 4.447 5 20 IIBD C[C@H](OC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1cccc(Br)c1 755059803 HBCLYBCPZFJSJO-QWRGUYRKSA-N 439.237 4.170 5 20 IIBD O=C(N[C@H]1CCCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1)c1cc2ccccc2o1 755749083 BPJFALJJWDMNQJ-HNNXBMFYSA-N 442.859 4.421 5 20 IIBD CCOc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1OC(F)F 756978088 BVKRJEHNFZYIGC-UHFFFAOYSA-N 435.427 4.125 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cn(-c2ccccc2)nc1-c1cccnc1 756989480 AMURXORMQNAKJU-UHFFFAOYSA-N 433.855 4.426 5 20 IIBD CN(CCc1ccc(Br)cc1)C(=O)c1cccc([N+](=O)[O-])c1Br 758303965 AAPHXYVHPACHNS-UHFFFAOYSA-N 442.107 4.435 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N(C)Cc2cc(Br)cn2C)CC1 758873231 SBJGQCXTEFXWMG-UHFFFAOYSA-N 449.349 4.204 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](N[C@H]1Cc2cccc(O)c2C1)c1ccccc1 759705493 RCCAIHBLBVSGLG-HTAPYJJXSA-N 437.883 4.391 5 20 IIBD COc1ccc(O)c(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 759720080 SGYJYFVNRJCAOW-UHFFFAOYSA-N 441.827 4.467 5 20 IIBD CCc1cc(C(=O)O[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)c(C)nn1 759731093 QUUADZWUIINNNJ-OAQYLSRUSA-N 434.452 4.101 5 20 IIBD Cc1sc2ncnc(SCC(=O)O[C@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)c2c1C 759937338 WUNFUXMENQEEEE-KBPBESRZSA-N 447.542 4.232 5 20 IIBD O=C(O[C@H]1CCCN(Cc2ccccc2)C1=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 760507589 ATVLHTNCWLRNCA-IBGZPJMESA-N 437.477 4.066 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1OS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 760615256 GTOZJPNKOZLWOP-UHFFFAOYSA-N 427.605 4.231 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)cc1[N+](=O)[O-] 760836389 VBHVVJFVNWMIPS-IBGZPJMESA-N 426.816 4.379 5 20 IIBD Cc1ccc(N2C[C@@H](c3nc(Cc4c[nH]c5ccc([N+](=O)[O-])cc45)no3)CC2=O)cc1F 762311013 YLQZCTKWNGPEOC-AWEZNQCLSA-N 435.415 4.018 5 20 IIBD O=[N+]([O-])c1nn(CN2CC=C(c3cccc(Br)c3)CC2)cc1Br 762464462 RSASAZVBAYSOAC-UHFFFAOYSA-N 442.111 4.063 5 20 IIBD O=C(NC[C@H](O)c1cccc(OCc2ccccc2)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 762539038 UROAXZDOFPLUCB-QHCPKHFHSA-N 431.448 4.119 5 20 IIBD CN1CC[C@H](CNC(=O)c2cc(F)c([N+](=O)[O-])cc2F)[C@H]1c1ccc(Cl)c(F)c1 763221815 MGSQESBNHILNGH-ADLMAVQZSA-N 427.810 4.088 5 20 IIBD COc1ccc([C@H](C)OC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1Cl 764616597 GOHRXUCJPQJJTE-LIRRHRJNSA-N 446.887 4.474 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 765497100 PPQORVGEQPMBBA-SJLPKXTDSA-N 433.549 4.315 5 20 IIBD CC1=C(C(=O)N(C)C)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1c1ccc(Cl)cc1F 767147175 YNNNVYQYMTZNNT-GOSISDBHSA-N 448.907 4.185 5 20 IIBD O=[N+]([O-])c1cccc(Br)c1CN1CCC(n2c(O)nc3ccccc32)CC1 768219326 WHTDDJSQQSNHMD-UHFFFAOYSA-N 431.290 4.250 5 20 IIBD Cn1cc(C(=O)NC[C@@H](O)c2ccc(-c3ccccc3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 768568539 LRTBBGMEMCIPGX-HSZRJFAPSA-N 442.475 4.126 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Br)cc2C(F)(F)F)cs1 768862742 YGCBOUTZUJYRGB-UHFFFAOYSA-N 431.211 4.238 5 20 IIBD COc1ccccc1N1C(=O)/C(=C/c2ccc([N+](=O)[O-])c(OC)c2)c2ccccc2C1=O 770569917 XTXNZBQGZOPYHX-QGOAFFKASA-N 430.416 4.340 5 20 IIBD COc1ccc(CSCC(=O)N2CCC(c3ccc(N(C)C)cc3)CC2)cc1[N+](=O)[O-] 774075185 MSYWBXOLDXTQKE-UHFFFAOYSA-N 443.569 4.309 5 20 IIBD C[C@@H](CCNC(=O)OC(C)(C)C)Nc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] 774678321 CAQUQBDULOEXJU-VIFPVBQESA-N 428.358 4.359 5 20 IIBD C[C@@H](NC(=O)CC1CCCCC1)C(=O)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776131916 BHBVIOIGUWSJMG-OPAMFIHVSA-N 425.485 4.098 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccnc(SC(C)(C)C)c1 778862668 MPGIKLRYHJYCBR-GFCCVEGCSA-N 433.486 4.073 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 779159735 AOMJZQSHQWDGGE-GDBMZVCRSA-N 432.546 4.453 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@H]3CCCc4cn(C(C)C)nc43)cc2[N+](=O)[O-])CC1 781046761 DNBGDFQCMUPWEH-IBGZPJMESA-N 425.533 4.416 5 20 IIBD COc1cc(COC(=O)c2c[nH]nc2-c2ccsc2)c([N+](=O)[O-])cc1OCC(F)F 781329030 HJIGYGNRHNNJIT-UHFFFAOYSA-N 439.396 4.056 5 20 IIBD O=C(O[C@H]1CCOC[C@@H]1OCc1ccccc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 781565337 ONLBOEZROWDMBX-ZEQRLZLVSA-N 429.472 4.212 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])c(F)c1)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 783453382 XQTWDJVIXSFHNS-UHFFFAOYSA-N 426.322 4.237 5 20 IIBD O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccccc1 785004812 BADWWPXCSVCXGS-UHFFFAOYSA-N 437.835 4.448 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)/C=C\c2cncc(F)c2)c2ccccc2)c([N+](=O)[O-])c1 785860200 YHUUCYLSRALWOF-ZVXDMYHRSA-N 435.411 4.374 5 20 IIBD C[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H](O)c1c(F)cccc1Cl 787340154 YMUHVNNCCSRIQV-FVMDXXJSSA-N 449.788 4.327 5 20 IIBD Cc1ccc(OCC(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1C 788142178 MNCVIBCEPQNTEN-ZDUSSCGKSA-N 440.374 4.180 5 20 IIBD COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 788189345 HPKMXWAXIXSHQM-ULFGMLNVSA-N 439.424 4.070 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CC[C@]4(C)[C@@H](C3)C4(Cl)Cl)cc2)c(C)c1[N+](=O)[O-] 791202012 RRIPKWQYQVYCAF-VQIMIIECSA-N 437.327 4.112 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(Oc3cnccn3)c2)c(Cl)cc1Cl 791433336 UVHNRFJZDMIXPL-UHFFFAOYSA-N 441.252 4.285 5 20 IIBD CCc1c(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cnn1-c1ccc(Cl)cc1 792515428 GUJCUDZHMGTQBG-UHFFFAOYSA-N 429.820 4.465 5 20 IIBD O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CCC2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 792642617 WNPPNVBZRZUFPE-UHFFFAOYSA-N 427.804 4.083 5 20 IIBD CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F 795811200 IPIUWMZNEUTCRX-IFXJQAMLSA-N 442.896 4.176 5 20 IIBD C[C@@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccc(Br)cc1F 796691242 ATPGAQJICIUJPB-SNVBAGLBSA-N 428.233 4.315 5 20 IIBD CSC[C@@H](C)C(=O)N1CCC(C(=O)Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])CC1 799605124 LDOZOCHSQWCYAG-MRXNPFEDSA-N 442.537 4.405 5 20 IIBD C[C@H]1[C@H](c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)CCN1C(=O)OC(C)(C)C 809434012 RADFQRNVJUKTAY-SWLSCSKDSA-N 427.461 4.163 5 20 IIBD COCC[C@@H](Cc1cccc(Br)c1)c1nc(CCC(C)(C)[N+](=O)[O-])no1 812812827 UINRTQWUOVMPDI-AWEZNQCLSA-N 426.311 4.183 5 20 IIBD COc1cc(CNc2cc(C(N)=O)ccc2F)c([N+](=O)[O-])cc1OCc1ccccc1 863997627 SWPXPZJMRHCQQM-UHFFFAOYSA-N 425.416 4.033 5 20 IIBD CCN(CC)C(=O)COc1cccc(NCc2c(Br)cccc2[N+](=O)[O-])c1 864023912 SOJLFJWTTCDBQS-UHFFFAOYSA-N 436.306 4.217 5 20 IIBD C[C@H](OC(=O)c1ccccc1C(=O)c1ccc(F)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 900678689 WSOJMUPONJUJTD-AWEZNQCLSA-N 436.395 4.149 5 20 IIBD Cc1cc(=O)c(-c2nc(-c3ccsc3C(F)(F)F)no2)nn1-c1ccccc1[N+](=O)[O-] 904924256 BRAXQFKBYYPUGK-UHFFFAOYSA-N 449.370 4.246 5 20 IIBD COCCN(C(=O)C(F)(F)c1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 916035274 DGXFOCGJTPWECC-UHFFFAOYSA-N 433.436 4.490 5 20 IIBD COc1cc([C@H](C)Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OCCO 917091768 FMGATBHSMUVCMH-JTQLQIEISA-N 445.350 4.075 5 20 IIBD CCc1cccc(N2C(=S)N[C@@H](c3csc([N+](=O)[O-])c3)C(C(=O)N(C)C)=C2C)c1 918059486 VXJVHGCSSPZKTN-SFHVURJKSA-N 430.555 4.017 5 20 IIBD Cc1csc(Sc2ccc(NS(=O)(=O)c3cc(F)ccc3[N+](=O)[O-])cc2)n1 918162283 UNTGOARPULCGFM-UHFFFAOYSA-N 425.488 4.451 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)CSc1nncn1-c1ccc(C)c(C)c1 918538080 MGHJUWVMFCHPAW-UHFFFAOYSA-N 442.497 4.027 5 20 IIBD CCN(C(=O)COC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@@H](C)c1ccc(F)cc1 918824996 NWFWVPFWWTWKAN-AWEZNQCLSA-N 429.448 4.075 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1 919712223 CMRHVJNYSDMJQY-YXAHYSCSSA-N 441.915 4.301 5 20 IIBD CS(=O)(=O)c1cc(C(=O)OC2c3ccccc3Oc3ccccc32)cc([N+](=O)[O-])c1 920326121 LPHUBTPTDHYNAZ-UHFFFAOYSA-N 425.418 4.050 5 20 IIBD Cc1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1NC(=O)CN1CCCCC1 921288979 MVTOBWZMYLZBKH-UHFFFAOYSA-N 430.892 4.233 5 20 IIBD O=C(CN1Cc2ccc([N+](=O)[O-])cc2C1)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 1253346371 MLFFBIBOUWDICR-HSZRJFAPSA-N 440.503 4.340 5 20 IIBD CN(Cc1ccc([N+](=O)[O-])cc1Br)C1CCN(C(=O)c2ccccc2)CC1 1255184861 SPUFDBBLTOTVEV-UHFFFAOYSA-N 432.318 4.094 5 20 IIBD CC(=O)NCc1ccc(-c2csc(NC(=O)CSc3ccccc3[N+](=O)[O-])n2)cc1 1320143098 OMZXPRNBHDQJBP-UHFFFAOYSA-N 442.522 4.085 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2c2nnc(COc3ccc(Cl)cc3)o2)ccc1[N+](=O)[O-] 1326092622 WMQSKFNERQUNCP-SFHVURJKSA-N 442.859 4.496 5 20 IIBD Cn1nc2ccccc2c1C(=O)O[C@H](c1ccc(Br)cc1)C(C)(C)[N+](=O)[O-] 1342675324 OPQOAHQAHULHAK-QGZVFWFLSA-N 432.274 4.289 5 20 IIBD CC(C)[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 1792474707 QVKGXDHXCBGMLD-WTEVXDJOSA-N 449.551 4.215 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2ccoc2s1)c1ccc([N+](=O)[O-])cc1F 1796582198 FXJQGMAFYPTMJJ-BTTYYORXSA-N 443.456 4.107 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1=CCCC1 1801206985 GFCYIEZNQYNPMN-BJWYYQGGSA-N 425.510 4.172 5 20 IIBD Cc1cccc(C)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1 1821186653 CLSMWWOMVBOZAE-INIZCTEOSA-N 437.456 4.147 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2)CC1 1829869182 OBZFIAUBTYELTF-HSZRJFAPSA-N 435.524 4.071 5 20 IIBD C/C=C/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(C)c([N+](=O)[O-])c2)CC1 1831365051 LZJJPZABFRFWTM-RJNGPHDSSA-N 439.556 4.198 5 20 IIBD Cc1cc(C)cc(C(=O)N2CC3(CCCN3C(=O)c3cc(Cl)cc([N+](=O)[O-])c3C)C2)c1 1845499756 DXSSPBPIUOIMSS-UHFFFAOYSA-N 441.915 4.304 5 20 IIBD COc1ccc(Cl)cc1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9458987 YTUPCWMAFYBFCK-VIFPVBQESA-N 446.765 4.460 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)OCc2ncc(Cl)n2C)cc1[N+](=O)[O-] 16280170 LBLZXDVZTRVBIY-UHFFFAOYSA-N 445.884 4.292 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(Cc2nc3ccccc3s2)CC1 22654394 YUHXNAWADLGGGU-OAHLLOKOSA-N 442.566 4.030 5 20 IIBD CSCC[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)OCC1CCCCC1 26911430 HRMFJRXLTHPCHV-INIZCTEOSA-N 428.938 4.223 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@H](C)C2)c1C 32632368 ZCOQEAHMAIFSSF-GJZGRUSLSA-N 445.541 4.131 5 20 IIBD CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)nnc1-c1ccco1 45631162 OVSAVAMVAODOGV-UHFFFAOYSA-N 441.391 4.216 5 20 IIBD O=C(CN(Cc1ccccc1F)C(=O)Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1F 58494089 SPNPZCPHWHLAEJ-UHFFFAOYSA-N 439.418 4.083 5 20 IIBD O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)N1CCN(c2ccccc2[N+](=O)[O-])CC1 60603657 QOTJHEAOGLENQX-SFHVURJKSA-N 446.454 4.105 5 20 IIBD CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)c1cc2ccccc2c2cccnc12 65078716 STNLEYNVVKVVHI-UHFFFAOYSA-N 447.560 4.395 5 20 IIBD CC(C)(C)OC(=O)NCC1(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCCC1 78782695 NIKHJGFYWBTGHS-UHFFFAOYSA-N 449.551 4.108 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1 107670137 XDRZHPRFRKADCO-UHFFFAOYSA-N 428.452 4.488 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1SCc1nnnn1-c1ccccc1 247327568 NTYCUVDHNGWHMS-UHFFFAOYSA-N 432.465 4.115 5 20 IIBD O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2OC(F)F)C1 302177434 XTNJNPLWFQNDAE-LLVKDONJSA-N 426.807 4.100 5 20 IIBD Cc1nc(N2CCC[C@@H]2c2nc(-c3ccccc3Br)no2)ccc1[N+](=O)[O-] 302702960 XVJRYDRPDGZIGV-OAHLLOKOSA-N 430.262 4.452 5 20 IIBD O=[N+]([O-])c1cnc(N2CCC(c3nc(-c4ccccc4Br)no3)CC2)s1 409641154 VZVNDJKRIYDKNP-UHFFFAOYSA-N 436.291 4.248 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 410031278 UZRHNKRTBUPANZ-HNNXBMFYSA-N 437.525 4.267 5 20 IIBD C[C@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1nc(-c2ccccc2)no1 425971213 NKYQWAHBQURLKQ-GFCCVEGCSA-N 449.389 4.267 5 20 IIBD Cn1c(CCNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])nc2c(F)cccc21 426330514 NEXVWRHZUZVQOF-UHFFFAOYSA-N 448.454 4.172 5 20 IIBD COc1cccc2c1CCN(C(=O)c1cc(F)cc3c(=O)c4cccc(F)c4[nH]c13)CC2 428096358 XYZNMWUKVXBGCC-UHFFFAOYSA-N 434.442 4.209 5 20 IIBD O=C(Cc1sc(-c2ccccc2)nc1-c1cccs1)NCCn1cc([N+](=O)[O-])cn1 428712675 TWTHLMJCNFKPDO-UHFFFAOYSA-N 439.522 4.002 5 20 IIBD O=[N+]([O-])c1ccc(N[C@H]2CCN([C@@H](c3ccccc3)c3nc(-c4ccccc4)no3)C2)nc1 430026714 QSTKBYLABXCSMP-UGKGYDQZSA-N 442.479 4.316 5 20 IIBD Cc1c(NC(=O)C(=O)N(C)[C@@H](c2ccccc2)C(C)C)cc(Br)cc1[N+](=O)[O-] 430325111 RKYZWJSELAXTJQ-GOSISDBHSA-N 448.317 4.460 5 20 IIBD CCC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C 430329407 QCKZHYZOKIYSOE-INIZCTEOSA-N 448.317 4.132 5 20 IIBD CC(C)c1[nH]nc(C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1[N+](=O)[O-] 433765442 IIHVIGACFZOGHZ-UHFFFAOYSA-N 440.331 4.143 5 20 IIBD COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] 433944581 WSHKCIVEPTYSBC-ZDUSSCGKSA-N 437.294 4.190 5 20 IIBD CCCNC(=O)c1ccc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc1 436078377 YBHYLLZAKQVSNN-UHFFFAOYSA-N 435.430 4.352 5 20 IIBD O=C(NCc1cccc(NC(=O)C2CCC2)c1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 436086017 HIUUGEJMYJXGKZ-UHFFFAOYSA-N 443.478 4.489 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1O)N(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 436864029 MPQNRMWTYBLNEM-QFIPXVFZSA-N 446.507 4.002 5 20 IIBD O=C(Nc1cccc(COCc2ccco2)c1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437047678 SFXGIFTZAYLBSK-UHFFFAOYSA-N 449.463 4.034 5 20 IIBD CC(C)[C@H](NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 439655545 OUDKDTQPZUNBLH-UGSOOPFHSA-N 437.418 4.245 5 20 IIBD Cc1nc(NC(=O)c2ccc(COc3ccc(Br)cc3)o2)ccc1[N+](=O)[O-] 440411490 SFDCMXNIIXFIIE-UHFFFAOYSA-N 432.230 4.485 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@H](C)c3ccc(-n4cccn4)cc3)cc2)c(C)c1[N+](=O)[O-] 440597323 LNXNZOPYKAEZMR-MRXNPFEDSA-N 444.495 4.133 5 20 IIBD C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 441083389 DLNZMECSPCFAAV-NWDGAFQWSA-N 428.436 4.277 5 20 IIBD Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(Oc2cccc(F)c2)c(Br)c1 442977031 NYXXUWGGIOJTRS-UHFFFAOYSA-N 435.209 4.275 5 20 IIBD O=C(Nc1cccc(Cl)c1N1CCOCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 443842085 PHXNMNROGJMYKB-UHFFFAOYSA-N 429.782 4.356 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3csc(Cc4ccccc4F)n3)n2)c1 445575913 SUSVZZJCIHUEGF-UHFFFAOYSA-N 426.429 4.431 5 20 IIBD O=C(N[C@@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1)c1cc2ccccc2o1 446624993 PTJSNOXHRIEDKR-MRXNPFEDSA-N 433.420 4.122 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N[C@@H](C)[C@H](O)Cc2ccccc2)c([N+](=O)[O-])c1 446874494 VZDGFZSEOFQWOL-QMHKHESXSA-N 448.475 4.016 5 20 IIBD Cc1cccc(C(=O)N2CCN([C@@H](C)c3ccc(Br)cc3)CC2)c1[N+](=O)[O-] 460587020 PIBMJHOAHGEHOB-HNNXBMFYSA-N 432.318 4.185 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C)c(Oc2cc(C)ccn2)c1 460826499 AOCZFQZEZDCKFG-UHFFFAOYSA-N 429.454 4.208 5 20 IIBD C[C@H]1Cc2ccccc2CN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCCO1 461847597 YFCFRTWOPGCYJW-JTSKRJEESA-N 433.512 4.374 5 20 IIBD Cc1cc(Sc2nnc([C@H]3CCCNC3)n2C2CC2)c(C(F)(F)F)cc1[N+](=O)[O-] 461947199 JBBWOOMAYGYNFU-NSHDSACASA-N 427.452 4.467 5 20 IIBD C[C@H](NC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1)c1cccc([N+](=O)[O-])c1 463272191 IXPSRIUPXRSXBR-ORAYPTAESA-N 438.311 4.152 5 20 IIBD COc1ccc(CCNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC(F)F 463589750 LLXYLDSWEOHZSP-UHFFFAOYSA-N 434.317 4.196 5 20 IIBD CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 464971494 HPUZBSHCTVFKGG-GOSISDBHSA-N 436.537 4.312 5 20 IIBD Cc1sc(NC(=O)[C@H]2[C@H](C(F)(F)F)[C@H]3CC[C@H]2O3)nc1-c1cccc([N+](=O)[O-])c1 468123451 DXOIODVSIDOZBL-AAVRWANBSA-N 427.404 4.321 5 20 IIBD COc1cc(S(=O)(=O)Nc2ncccc2OCc2cccc(Cl)c2)ccc1[N+](=O)[O-] 468772226 AXJMTUUXVOSEER-UHFFFAOYSA-N 449.872 4.032 5 20 IIBD CCCNc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 468942405 MZOAPZLUKLWKKL-GFCCVEGCSA-N 438.406 4.193 5 20 IIBD C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1 470706137 DDETZDPUOXMZTD-GASCZTMLSA-N 429.448 4.155 5 20 IIBD COc1ccc(CN(C)[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)cc1O 471184769 BXZDWSQERCEIAL-QHCPKHFHSA-N 435.480 4.429 5 20 IIBD COc1ccc(CNC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1[N+](=O)[O-] 479391010 MGZJXYGELGWYJL-UHFFFAOYSA-N 437.418 4.017 5 20 IIBD CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 479760962 ZHLWNUGKBSVBLV-XCLFUZPHSA-N 428.876 4.155 5 20 IIBD C[C@@H](CC(N)=O)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2 482288540 UKKGVZCWEUAYPO-JEFCNZTNSA-N 444.491 4.014 5 20 IIBD Cn1ccnc1CNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 485564068 AGHSFMCQNZWPKK-VBKFSLOCSA-N 433.493 4.185 5 20 IIBD CC[C@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1cc(F)cc(Br)c1 485927860 ALUWVRHJYAFSBL-HNNXBMFYSA-N 431.283 4.067 5 20 IIBD O=C(NCC1CC1)[C@@H]1CCCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 487218066 IGINGPNDJFPVNV-GOSISDBHSA-N 439.537 4.124 5 20 IIBD CCn1c(S[C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)nnc1-c1ccc([N+](=O)[O-])cc1 489428701 AWZGZAUHKNUAML-AWEZNQCLSA-N 441.513 4.384 5 20 IIBD O=C(CN1CCC[C@H](c2nc3c(s2)CCCC3)C1)Nc1ccc([N+](=O)[O-])cc1Cl 490055945 PLUVSCKCGNXGIW-ZDUSSCGKSA-N 434.949 4.402 5 20 IIBD Cc1ccc([C@H](C)NC(=O)Nc2ccccc2I)cc1[N+](=O)[O-] 493185686 YUGKNZSMTFTWLP-NSHDSACASA-N 425.226 4.391 5 20 IIBD C[C@H](N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)[C@H]1CCOC1 500221318 VZHKKPDHCYPVRG-RFUYNDQBSA-N 448.317 4.052 5 20 IIBD CNC(=O)c1ccc(Cl)c(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 500312009 CRIWNBFJMLREOG-UHFFFAOYSA-N 444.797 4.067 5 20 IIBD CCCN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@@H](C)CC(=O)Nc1ccccc1 500647554 RIPSMEKRDMNDLJ-KRWDZBQOSA-N 435.484 4.050 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)[C@H](C)c1ccccc1C(F)(F)F 501614561 FLPFYIPTXLGVGL-OZVIIMIRSA-N 441.454 4.154 5 20 IIBD COc1cc(C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)ccc1[N+](=O)[O-] 502200811 XKYWGHVYRTUGLW-UHFFFAOYSA-N 429.476 4.131 5 20 IIBD Cc1ccc(C(C)C)c(Oc2ccc(CN3CC[C@@H](S(C)(=O)=O)C3)cc2[N+](=O)[O-])c1 503114016 WYNAVPDSIBCKLJ-GOSISDBHSA-N 432.542 4.438 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 503417589 GCSREHAAANVWGU-UHFFFAOYSA-N 442.476 4.341 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@@H](Oc2ccccc2Cl)C1 504611589 HPUGJBXICYRDSJ-QGZVFWFLSA-N 426.860 4.118 5 20 IIBD CCOc1cc(NC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)c([N+](=O)[O-])cc1OCC 506306313 ARRCHPPGAYMQTG-SJLPKXTDSA-N 442.516 4.349 5 20 IIBD CCOC1(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCCC1 506376746 HSULDGUMQDYDID-UHFFFAOYSA-N 443.466 4.296 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccc(-c3nnco3)cc2)cc1[N+](=O)[O-])c1ccccn1 508887722 FPDMARWEZWSGKM-CQSZACIVSA-N 430.424 4.465 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O 509697970 NPVOVLRPRJLYJF-GOSISDBHSA-N 433.917 4.488 5 20 IIBD COc1cccnc1N(C)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 511140229 OJHPHPKYLHEGFD-UHFFFAOYSA-N 443.463 4.057 5 20 IIBD CCOC(=O)CN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1)C1CC1 511455970 UVULYNPHARDOKY-UHFFFAOYSA-N 448.859 4.217 5 20 IIBD COc1cc(C(=O)N2CCCc3ccc(F)cc32)c([N+](=O)[O-])cc1OCc1cscn1 512183961 HEQJHFSLACCSGQ-UHFFFAOYSA-N 443.456 4.371 5 20 IIBD O=C(NCCn1cccn1)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 513726588 YHHUGXOKSYLGQZ-UHFFFAOYSA-N 436.415 4.391 5 20 IIBD O=C(N[C@@H](c1ccccc1)c1ccccn1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 514431791 TYPDKTURPNSLHI-IBGZPJMESA-N 431.370 4.450 5 20 IIBD CN1CCC(N(C[C@H]2C[C@H]3C=C[C@H]2C3)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 515262379 UBKOMLKFEZHISN-YQQAZPJKSA-N 448.361 4.106 5 20 IIBD CCCc1[nH]nc(C(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)c1[N+](=O)[O-] 521891147 AFZBTSCAFFVCNO-UHFFFAOYSA-N 438.922 4.320 5 20 IIBD Cc1ccc(C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ccccn2)cc1 522374392 VNESYWKXTIDPJS-GOSISDBHSA-N 431.901 4.214 5 20 IIBD COc1ccc(CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c2ccncc2)cc1 524834495 OGIBMSBZIMGEAB-UHFFFAOYSA-N 429.436 4.031 5 20 IIBD CC[C@](C)(NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-])C(F)(F)F 530615923 DJRXJOLMRSUEKC-INIZCTEOSA-N 433.408 4.100 5 20 IIBD CCc1nc(C)c([C@@H](C)N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)s1 532584657 OHEIBHQLSBPOSE-LLVKDONJSA-N 441.351 4.316 5 20 IIBD Cc1ccc(OC2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Br)CC2)cc1 533295445 ALEIZPGIEOFPFL-UHFFFAOYSA-N 448.317 4.148 5 20 IIBD C[C@H](Nc1ccc(I)cc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 535132661 FMXGASCDZUMLDS-MLMJSJRWSA-N 430.267 4.110 5 20 IIBD Cc1ccc([C@H](C)NCc2ccc(Br)cc2N2CCOCC2)cc1[N+](=O)[O-] 536844776 ICYQMDSVQJEZIU-HNNXBMFYSA-N 434.334 4.353 5 20 IIBD CN(Cc1cc(F)c(F)c(F)c1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 537433626 JUHFLJDKIIFVFC-UHFFFAOYSA-N 429.203 4.140 5 20 IIBD COc1ccc(CN[C@@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] 540174827 ANFNNVPKILQWRD-LBPRGKRZSA-N 427.379 4.009 5 20 IIBD CCc1ccc([C@@H](NCc2ccccc2CN2CC[C@H](O)C2)c2ccc([N+](=O)[O-])cc2)o1 541571342 PZVVVORIVHJDTM-DHLKQENFSA-N 435.524 4.196 5 20 IIBD CCC(C)(C)OCc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 541698896 XLEKPNRIBZLNAO-MRXNPFEDSA-N 427.501 4.424 5 20 IIBD CN(c1ccccc1)c1ccc(CN[C@@H]2CCCN(Cc3ccccn3)C2=O)cc1[N+](=O)[O-] 542316659 XTGNMNDJAUSKQJ-JOCHJYFZSA-N 445.523 4.039 5 20 IIBD CN(C(=O)CSCC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1CCCCC1 542927021 DAHXRMIEGDUXGU-UHFFFAOYSA-N 433.452 4.076 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(-c3cc(F)c(F)cc3I)n2)c1 544901648 HJLCHCARRKWUQW-UHFFFAOYSA-N 429.120 4.195 5 20 IIBD COc1cc(Cc2noc(-c3cccc(C(=O)N(C)CC(C)(C)C)c3)n2)ccc1[N+](=O)[O-] 545080183 TXCPBJXELLNMLF-UHFFFAOYSA-N 438.484 4.362 5 20 IIBD COc1ccc(Br)cc1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F 545119429 IZZXCDQBUNRRHR-UHFFFAOYSA-N 425.254 4.099 5 20 IIBD O=C(NC1CC1)c1ccc(/C=C/c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)cc1 547197444 RLBPOTPIZBECBU-XCVCLJGOSA-N 429.436 4.113 5 20 IIBD O=[N+]([O-])c1cc2c(c(-c3nc(-c4cccc(OCc5cccnc5)c4)no3)c1)OCCO2 551908850 WAVZEYDSKBDZMH-UHFFFAOYSA-N 432.392 4.057 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1 555786800 JQPIUDULFDKNOJ-CYBMUJFWSA-N 436.281 4.061 5 20 IIBD CCOc1ccc(CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1Cl 556430530 WDIWNDUXXJTXGE-UHFFFAOYSA-N 433.892 4.400 5 20 IIBD O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1-c1ncc(-c2ccccc2)o1 584188242 VNGDRZAZRCLNIU-UHFFFAOYSA-N 425.404 5.045 5 20 IIBD COCCN(C)CCOc1cccc(CNC(=O)c2cc3ccccc3c3cccnc23)c1 589971543 UCJFKWRDOUOTQL-UHFFFAOYSA-N 443.547 4.275 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(-c2ccc(F)cc2Cl)n1 589978413 SAEATEVYJMGICB-UHFFFAOYSA-N 437.836 4.259 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2cc(Br)ccc2F)no1 590277637 INDYERACSSFJMH-SECBINFHSA-N 435.209 4.037 5 20 IIBD O=[N+]([O-])c1cc(I)ccc1NCCc1nccn1Cc1ccccc1 603845897 PGSPXZOMEQIRPT-UHFFFAOYSA-N 448.264 4.099 5 20 IIBD O=C(Cc1ccsc1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 603918761 XCEDHNKEDIVHDT-UHFFFAOYSA-N 427.551 4.272 5 20 IIBD COc1ccc(CS(=O)(=O)Cc2csc(COc3ccc(C)cc3)n2)cc1[N+](=O)[O-] 603956639 XRBHJKGUDCDSQZ-UHFFFAOYSA-N 448.522 4.062 5 20 IIBD CCOc1cc(NC(=O)NCc2ccccc2N2CCCC2)c([N+](=O)[O-])cc1OCC 604361056 XSBJBNUYABLVCP-UHFFFAOYSA-N 428.489 4.314 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ccc2c(c1)OCCCO2 608952951 PCWHBMJWYXPHDO-UHFFFAOYSA-N 442.415 4.183 5 20 IIBD COc1cccc(N2CC[C@H](NC(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)C2)c1 609111815 ROYGNSVYJGERKL-FQEVSTJZSA-N 446.507 4.224 5 20 IIBD CC(C)CC(=O)Nc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)c1 610042544 HHAAUSLRNUUDFQ-UHFFFAOYSA-N 434.290 4.272 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cc(C(N)=O)sc2C)cc1 610887013 KCXFDJKJCSNOCA-UHFFFAOYSA-N 427.438 4.117 5 20 IIBD CC(C)(C)c1ccc(Oc2ccc(CNCc3nnc4n3CCOC4)cc2[N+](=O)[O-])cc1 616488218 FUDMIIUQGZZQJG-UHFFFAOYSA-N 437.500 4.096 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 619785196 MTJDUCHUFZDKLH-UHFFFAOYSA-N 438.509 4.022 5 20 IIBD O=C(Nc1ccccc1)c1cccc(OS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 725831780 WEEXNWFMOVMXSW-UHFFFAOYSA-N 432.841 4.268 5 20 IIBD CC(C)(C)c1noc(-c2ccccc2C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)n1 726844236 VWQFYZQVTZXUCZ-UHFFFAOYSA-N 449.423 4.349 5 20 IIBD Cc1cc(=O)oc2cc(OCC(=O)N(CC3CC3)c3ccc(Cl)c([N+](=O)[O-])c3)ccc12 728167466 WIJUIXDRPDLJCE-UHFFFAOYSA-N 442.855 4.485 5 20 IIBD C[C@H](Nc1ccc(C(=O)OCc2nc(-c3ccoc3)no2)cc1[N+](=O)[O-])c1ccccn1 729865114 FISMBSWJKNRHMC-ZDUSSCGKSA-N 435.396 4.163 5 20 IIBD Cc1cc2occ(CC(=O)OC[C@@H]3CCCN3C(=O)c3ccccc3[N+](=O)[O-])c2cc1C 730708119 NBZGFFJAHDWVNY-SFHVURJKSA-N 436.464 4.348 5 20 IIBD COCCN(C(=O)/C=C/c1cnc(C)s1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 732728103 QHYRBUKOELOXKG-BQYQJAHWSA-N 430.511 4.176 5 20 IIBD CC1CCC(N(C(=O)COC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C2CC2)CC1 733474182 MNAWCVLGJFFXDV-UHFFFAOYSA-N 443.525 4.445 5 20 IIBD O=C(O[C@@H](Cc1ccc(Cl)cc1)C(F)(F)F)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 733948049 NXOIXLJBHFEEHE-INIZCTEOSA-N 440.765 4.159 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1occc1CS(=O)(=O)c1ccccc1 735802897 LJZYFCJXERKZRS-UHFFFAOYSA-N 434.857 4.376 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(Cc3ncc(-c4ccccc4Br)o3)CC2)cc1 741773344 UPESXVKGRVWOFG-UHFFFAOYSA-N 443.301 4.335 5 20 IIBD CCOc1ccc(C(=O)N2CCC([C@H]3CCCN3C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] 742512902 KRYCBTAALXWTET-GOSISDBHSA-N 447.532 4.245 5 20 IIBD O=C(NC[C@@H](c1ccccc1)N1CCc2sccc2C1)c1cc(F)ccc1[N+](=O)[O-] 745497723 VYTZZYRXFXBLDH-FQEVSTJZSA-N 425.485 4.325 5 20 IIBD COc1ccccc1[C@@H](C)NC(=O)[C@H](C)OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 745565685 WFQXMAJZIKGRRI-NEPJUHHUSA-N 440.374 4.045 5 20 IIBD CCCC[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1cc(C)on1 745569597 XYAWNFVTEYSQCH-CQSZACIVSA-N 429.351 4.264 5 20 IIBD Cc1ccc(C2=NN(C(=O)COc3cc(C=O)ccc3[N+](=O)[O-])[C@@H](c3ccco3)C2)cc1 748154028 GXJWAOCPEKUEPL-HXUWFJFHSA-N 433.420 4.065 5 20 IIBD COc1ccc([C@H](C)CC(=O)OC2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)cc1 750717000 YNXMCOZAESBPGH-MRXNPFEDSA-N 428.485 4.318 5 20 IIBD CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)OCc1nc3cc([N+](=O)[O-])ccc3o1)O[C@H](C)C2 751662730 NKLINSLKOZZACG-ISTRZQFTSA-N 438.436 4.305 5 20 IIBD CC(C)Oc1ccc(C(=O)COC(=O)c2cc([N+](=O)[O-])c(Br)cc2F)cc1 751690544 NGWFEWDFVMYQQH-UHFFFAOYSA-N 440.221 4.323 5 20 IIBD Cc1ccc(Cl)c(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1N 754564971 RSVKSNCBBQBEQU-VIFPVBQESA-N 445.781 4.342 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl 755025433 WOMCHGSLICMZRJ-UHFFFAOYSA-N 439.921 4.194 5 20 IIBD C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 757194770 DCCZYUJLOVZBEB-KGLIPLIRSA-N 440.928 4.083 5 20 IIBD COc1cc(F)cc2sc(NC(=O)c3cccc([N+](=O)[O-])c3Br)nc12 758283918 CTGXWSGHYWWFSL-UHFFFAOYSA-N 426.223 4.367 5 20 IIBD CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1Br 758527554 ZEBGHWFBTQINCG-UHFFFAOYSA-N 435.274 4.494 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] 758620211 PVNCATJKCHRVKB-MAUKXSAKSA-N 442.896 4.237 5 20 IIBD Cc1ccc(-n2cnc3c2CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C3)cc1 760913166 DREQRWBVGOJADO-UHFFFAOYSA-N 441.285 4.050 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(Cc3ccc(OCc4ccncc4)cc3)no2)cc([N+](=O)[O-])c1 761673598 BHUSYZVIERGFRD-UHFFFAOYSA-N 433.380 4.118 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H](c2noc(-c3cc(O)nc4ccc([N+](=O)[O-])cc34)n2)C1 761872941 RYDHKCIGJVWBEK-LBPRGKRZSA-N 441.444 4.013 5 20 IIBD COc1cc(Cc2noc(-c3cnc4c(c3)c(C)nn4-c3ccccc3)n2)ccc1[N+](=O)[O-] 762307533 FKWFHICYRPDZDC-UHFFFAOYSA-N 442.435 4.287 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1nc2ccccc2n1C(F)F 763811799 XDKAWYZRRIGUHH-UHFFFAOYSA-N 437.424 4.435 5 20 IIBD C[C@H](C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1c(F)cccc1F 763822867 POACBKUMTIEFLK-VIFPVBQESA-N 432.301 4.177 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(NCc3ccc(N4CCc5ccccc5C4)nc3)CC2)cc1 765068096 PABZVMJULJEEIW-UHFFFAOYSA-N 443.551 4.311 5 20 IIBD O=C(Nc1ccc(Cc2nnc3n2CCCCC3)cc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 766507278 AHTTZVSHHPVDDO-UHFFFAOYSA-N 441.438 4.234 5 20 IIBD Cc1nnc(S)n1CCNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 768177784 QXCHLLQWJZUIMT-UHFFFAOYSA-N 449.945 4.018 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 769941350 UJDGWENVZLZPQO-UHFFFAOYSA-N 448.564 4.201 5 20 IIBD Cc1c(C(=O)N[C@@H](C)[C@@H](O)c2c(Cl)cccc2Cl)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 771728903 WKKHZDNUJRUXHZ-DYZYQPBXSA-N 442.255 4.279 5 20 IIBD C[C@H](OC(=O)c1cncc2ccccc12)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 772289204 YDJDKCMVZWEJDP-ZDUSSCGKSA-N 448.460 4.451 5 20 IIBD O=C(OCc1nnc(-c2cccc(Cl)c2)o1)c1sc(Br)cc1[N+](=O)[O-] 773602821 BQMXOKQXBFEWSB-UHFFFAOYSA-N 444.650 4.479 5 20 IIBD CC[C@@H](C)NC(=S)/C(=C(/O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1c(C)ccc(O)c1Cl 777514127 IZZLBTOOZRJNNZ-GFCCVEGCSA-O 436.941 4.457 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 777989469 OHAWZIZVQQZCIV-INIZCTEOSA-N 449.287 4.111 5 20 IIBD O=C(OCc1cc(=O)oc2cc3c(cc12)CCC3)c1cc([N+](=O)[O-])ccc1OC(F)F 778890575 KJKZEBWONCKFBJ-UHFFFAOYSA-N 431.347 4.148 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 780680220 IUBQFJSZHSXZHY-LBPRGKRZSA-N 444.435 4.107 5 20 IIBD COC(=O)/C=C/c1ccc(OCCOC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 781259501 MRFZPHORUUYJPJ-MDWZMJQESA-N 443.455 4.103 5 20 IIBD CCN(Cc1cccc(-c2ccncc2)c1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 783325950 BBLVWRGHRZDBQC-UHFFFAOYSA-N 438.871 4.297 5 20 IIBD COc1cc(C(=O)OCc2ccc(-n3cccn3)cc2C)c([N+](=O)[O-])cc1OC(F)F 784303598 OEFZYUQPLLJHGW-UHFFFAOYSA-N 433.367 4.056 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl 785252970 OGYPRAMLEIHPOF-QGZVFWFLSA-N 447.923 4.020 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cc(Br)cc(F)c2F)c(Cl)c1 785385668 SQQYLJWFKIKNDA-UHFFFAOYSA-N 428.594 4.057 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H](O)c1ccc2ccccc2c1 786330691 HLUIKGWYPWITGZ-IBGZPJMESA-N 429.270 4.282 5 20 IIBD O=C(Nc1cc(Br)cnc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 787955916 HVIWYFLVUBKCGE-UHFFFAOYSA-N 425.670 4.258 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)c2ccccc2C(F)(F)F)cc1OC 789002997 KFULBSWQUQDDOT-LLVKDONJSA-N 441.358 4.449 5 20 IIBD CC(C)[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H](O)c1ccccc1 789253983 VTDVHWXSWXIRNZ-ZWKOTPCHSA-N 425.407 4.171 5 20 IIBD C[C@@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@@H](O)c1c(Cl)cccc1Cl 790919286 LZNKZBBWVJUBLA-CQLKUDPESA-N 435.666 4.475 5 20 IIBD CN(C)c1cc(F)c(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)cc1[N+](=O)[O-] 791335492 GMQAXIPHWYETNT-ZDUSSCGKSA-N 437.855 4.263 5 20 IIBD CCC(=O)Nc1cccc(COC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c1 791771078 SCGAXKIHJUNJMS-UHFFFAOYSA-N 436.468 4.162 5 20 IIBD COC(=O)c1cc(NC(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2)c(C)c([N+](=O)[O-])c1 792627325 OHVMURJVOFAAJH-UHFFFAOYSA-N 443.456 4.218 5 20 IIBD CC(C)O[C@@H](COC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccccc1 795231899 DLKVAJOQFBRAHQ-SFHVURJKSA-N 442.497 4.198 5 20 IIBD O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1CN1CC[C@@H]1c1ccc(Cl)cc1 795435590 XRMHTZGBKOAMNW-MRXNPFEDSA-N 436.693 4.371 5 20 IIBD CC(C)(C(=O)OCC(=O)Cc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1F 795590862 IYZFHFRYXRIPRU-UHFFFAOYSA-N 438.249 4.129 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCOC[C@@H]1c1nc2ccccc2s1 800232704 LWGPYFVOQUMPAA-MRXNPFEDSA-N 435.864 4.140 5 20 IIBD COc1nc2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3Br)cc2s1 803247451 HJTHEFLBPKDSAN-UHFFFAOYSA-N 426.223 4.367 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCc1cc(F)c(C(F)(F)F)cc1F 805256224 BAGNFSWTKCJPGP-UHFFFAOYSA-N 433.289 4.049 5 20 IIBD Cc1ccc([C@@H](C)N(C)C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c(C)c1 810354541 ANVWCADUABLYPO-CYBMUJFWSA-N 434.290 4.132 5 20 IIBD COc1cc(CC(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc(OC)c1OC 811033800 QZGIRWYTZJHCDT-UHFFFAOYSA-N 430.240 4.213 5 20 IIBD Cc1c(C(=O)N2CCC(c3noc4cc(F)ccc34)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 811604027 MOFLPOSHPDDBKT-UHFFFAOYSA-N 442.403 4.420 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CC3(CCC3)[C@H]2c2ccccc2)ccc1Br 814397982 GBHSUTWIRVFYHA-QGZVFWFLSA-N 437.315 4.273 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCc1ccnc(Br)c1 815246863 OCILDEUDBUMLGZ-UHFFFAOYSA-N 430.052 4.180 5 20 IIBD COc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 815512155 KEXSHFKMSFZLON-SECBINFHSA-N 446.765 4.460 5 20 IIBD COc1cccc(Cc2cnc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)s2)c1 818079028 DECIBPLAWPFHDC-UHFFFAOYSA-N 435.465 4.089 5 20 IIBD COCc1nc2ccccc2c(C)c1C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 914889854 MZXYQQSZSINPIR-UHFFFAOYSA-N 434.408 4.005 5 20 IIBD CC(C)[C@H](OC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C(=O)NC1CCCCC1 919196024 QPHRULXLZOPKKT-KRWDZBQOSA-N 446.422 4.166 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cccc(-n4ccnc4O)c3)cc2[N+](=O)[O-])C1 919755096 XPAGWFHHOKCSFA-HZPDHXFCSA-N 435.484 4.221 5 20 IIBD Cc1nn(C)c2sc(C(=O)OCCOc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)cc12 920145593 LETKKUJRGSAPIR-UHFFFAOYSA-N 429.376 4.106 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@H](N3[C@@H](C)CC[C@@H]3C)C2)CC1 920806642 ZIEGVROHUQHPQU-ZJOUEHCJSA-N 428.577 4.309 5 20 IIBD O=C(COC(=O)C(F)(F)c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 920897089 UNFLMEYQPPQSRA-UHFFFAOYSA-N 436.264 4.026 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)C(C)C 920906363 ABHWLMUGHUOJAB-QGZVFWFLSA-N 443.287 4.003 5 20 IIBD O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])cc1Cl 921189549 UATGVFCAEDVFER-UHFFFAOYSA-N 441.849 4.123 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc([C@H]3COc4ccc(F)cc4C3)n2)c(Br)c1 1116594133 JNMKEDRDWWBTGN-GFCCVEGCSA-N 434.221 4.189 5 20 IIBD COc1cc(-c2nc([C@H](NC(=O)OC(C)(C)C)c3ccccc3)no2)c([N+](=O)[O-])cc1F 1332044988 NPFWOAWARUYVGT-QGZVFWFLSA-N 444.419 4.407 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1)c1ccc2[nH]ccc2n1 1789267710 XBOZGBXCNJFQHP-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD Cc1ocnc1C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])CCC2)cc1 1789892825 OQROHZYAJNGSSO-KPKJPENVSA-N 446.463 4.352 5 20 IIBD CC(C)n1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])o4)CCC3)cc2)n1 1790165279 OONHUUZBZPNJBN-UHFFFAOYSA-N 437.456 4.027 5 20 IIBD C[C@H](C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1)c1ccc(O)cc1 1790505814 FOJPPCFGUZPJQO-HNNXBMFYSA-N 448.479 4.180 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc2occc2c1 1800350120 SQMBGOQKYNNIRK-BJWYYQGGSA-N 437.427 4.046 5 20 IIBD NC(=O)[C@H](OC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccccc1 11742698 ZMPAXLUYNRXFNE-HXUWFJFHSA-N 439.855 4.244 5 20 IIBD CSc1ccc(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1[N+](=O)[O-] 15033911 LDJKSRLCJNJBAK-UHFFFAOYSA-N 444.391 4.086 5 20 IIBD O=C(OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1csc(-c2cccc(Cl)c2)n1 16564801 LOJRSMVXDUBMRC-UHFFFAOYSA-N 443.868 4.118 5 20 IIBD NC(=O)c1ccc(CSc2nnc(-c3cccs3)n2-c2ccccc2)c([N+](=O)[O-])c1 16764581 BIASRJFIYKNLLF-UHFFFAOYSA-N 437.506 4.295 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)N[C@H](c1ccccc1)c1cccs1 18172465 LGAONLCYWBSFJP-LJQANCHMSA-N 430.869 4.372 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 19426141 AQOLNLSYSNUSSO-UHFFFAOYSA-N 430.413 4.165 5 20 IIBD C[C@@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)N(C)Cc1c(F)cccc1Cl 22795341 ZXVZTZHMHRLNDG-SNVBAGLBSA-N 429.231 4.245 5 20 IIBD O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)Nc1ccc(Cl)c([N+](=O)[O-])c1 36783750 YBVXHUNRVUUTCQ-UHFFFAOYSA-N 429.889 4.437 5 20 IIBD COC(=O)c1cc(C(=O)Nc2nc(C)c(Cc3ccc(C)cc3)s2)cc([N+](=O)[O-])c1 59773201 MTHFOODIUPCYEI-UHFFFAOYSA-N 425.466 4.298 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 60190437 HRRXEEZMHJRCRJ-INIZCTEOSA-N 426.231 4.284 5 20 IIBD Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)COc2ccccc2[N+](=O)[O-])n1 60674117 YYLSHBIIJXPUQF-UHFFFAOYSA-N 434.374 4.434 5 20 IIBD O=C(NCc1ccnc(OC2CCCC2)c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 61554078 FFYDZJQXKMKXDP-UHFFFAOYSA-N 439.390 4.182 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 64722662 ZQERLSQQIHROSD-CYBMUJFWSA-N 428.876 4.298 5 20 IIBD C[C@H]1CCCCN1C(=O)[C@@H](C)NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 237781577 FUXOFMJVXSLOEW-RBUKOAKNSA-N 447.539 4.327 5 20 IIBD COc1ccc(C(=O)N2CCC(Nc3cc(C)c([N+](=O)[O-])cc3Cl)CC2)cc1OC 301487605 YYXZLCITFADFNR-UHFFFAOYSA-N 433.892 4.291 5 20 IIBD Cc1nc(-c2ccc(CCNC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)s2)cs1 302924930 CBVNNHFXHDEJIE-UHFFFAOYSA-N 439.522 4.246 5 20 IIBD O=C(C[C@@H]1CCCCC(=O)N1)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 409721126 PUQKNMZDPZLYPB-AWEZNQCLSA-N 449.866 4.245 5 20 IIBD NC(=O)N1CCCc2ccc(NC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])cc21 427955549 DXTDBFMVIXCLAQ-UHFFFAOYSA-N 446.463 4.257 5 20 IIBD O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CCC[C@@](CO)(Cc2ccccc2)C1 428557604 JCGCSHLNDUJZHY-RUZDIDTESA-N 431.492 4.114 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN3CCC4(CC3)CCS(=O)(=O)CC4)o2)c(Cl)c1 430213723 VFPMLQIINHPSTC-UHFFFAOYSA-N 438.933 4.299 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC(=O)NC(c1ccccc1)c1ccccc1 432486060 QZEJGOZHNICBNT-UHFFFAOYSA-N 432.480 4.273 5 20 IIBD CC(=O)Nc1ccc(CNC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)cn1 433674605 YCHMRJGBNBTRPP-UHFFFAOYSA-N 436.493 4.338 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)[C@H]1CC(=O)N(CC(F)(F)F)C1 435447597 QFHKRMNVCJLOAS-JTQLQIEISA-N 445.444 4.157 5 20 IIBD O=C(NC1CCN(CCc2ccccc2)CC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 436107377 HQQLPWUHZGDXCE-UHFFFAOYSA-N 425.532 4.118 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1(c2ccc(OC)c(F)c2)CCOCC1 436458835 IWJNTHMDORDKSW-KRWDZBQOSA-N 430.476 4.133 5 20 IIBD CS(=O)(=O)Nc1cccc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])c1 442269312 YHFJWSLBCTWXJA-UHFFFAOYSA-N 443.506 4.370 5 20 IIBD Cc1ccc(OCc2ccccc2)c(NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)c1 443318061 HYASIDFBAGMCOQ-UHFFFAOYSA-N 433.464 4.046 5 20 IIBD Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 443905122 VNTCDTUKWWVRKV-QGZVFWFLSA-N 432.358 4.245 5 20 IIBD COCCn1c(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)nc2ccccc21 444323697 LHELKMYLPNUKOP-UHFFFAOYSA-N 430.439 4.069 5 20 IIBD COc1ccccc1[C@H](NC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccccc1 445089988 INMHIHIKSUKQHG-JOCHJYFZSA-N 431.452 4.069 5 20 IIBD CC(C)(C)c1ccc(-c2nc(CC(=O)NCc3cccc(Cl)c3)no2)cc1[N+](=O)[O-] 445848722 IVLHGKYJZXHHQR-UHFFFAOYSA-N 428.876 4.455 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)c1ccc([N+](=O)[O-])s1 447633594 CHLBPTPIKFNAPD-UHFFFAOYSA-N 435.458 4.157 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC(C)(C)c1ccc(Br)cc1 464010807 GNAUOGNSAFTUEL-UHFFFAOYSA-N 448.317 4.007 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccccc2N2C[C@H]3CC[C@H]2C3)cc1[N+](=O)[O-] 468676683 LXGUUFPHHHXZLO-RDJZCZTQSA-N 427.526 4.464 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccc(OCC2CC2)c(F)c1 468790067 CCPZCGCWTXTHTL-HNNXBMFYSA-N 443.475 4.168 5 20 IIBD COc1cc(OCC(=O)N(C)[C@@H](c2ccc(Cl)cc2)C(F)(F)F)ccc1[N+](=O)[O-] 469209015 XALDOZXBPIIWJZ-KRWDZBQOSA-N 432.782 4.398 5 20 IIBD CCCOc1cc(NC(=O)N2CC[C@H](Oc3ccncc3)C2)c([N+](=O)[O-])cc1OCCC 469713468 UFGBYTYALZSNDX-KRWDZBQOSA-N 444.488 4.253 5 20 IIBD CCCOc1ccccc1[C@H](CC(C)C)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 470243977 SHYPGYOYGAQDOW-FQEVSTJZSA-N 448.541 4.304 5 20 IIBD COc1ccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c(C)n1 470244528 ZVCMXQFLYWAQAF-UHFFFAOYSA-N 438.406 4.181 5 20 IIBD C[C@H](NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1ccccc1[N+](=O)[O-] 473640965 MPTXGEFZJIRQIK-XHDPSFHLSA-N 437.283 4.067 5 20 IIBD CC[C@@H](O)CCNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 478908500 ZWEVQLFELNBPLO-IYICPGQYSA-N 425.510 4.412 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@@H](COc2ccccc2Cl)C1 482069358 QPPYZJBZHXUJHR-MRXNPFEDSA-N 440.887 4.365 5 20 IIBD COC(=O)CSCc1cccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 482993249 LTTDZSKNFDXVIH-UHFFFAOYSA-N 429.498 4.198 5 20 IIBD Cc1ccc(-c2cccnc2)cc1NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 484297905 JZSGERZHIGYZSZ-UHFFFAOYSA-N 432.480 4.341 5 20 IIBD O=C(NCc1ccc(-c2ccc(Cl)cc2)cc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 484420339 ZXCCXVZMDYCJMC-UHFFFAOYSA-N 427.819 4.309 5 20 IIBD CN(C)CCn1ncc(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1-c1ccccc1 485741863 KGBDICSPHRQKDR-UHFFFAOYSA-N 447.417 4.291 5 20 IIBD COc1ccc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1Br 487739584 MYNJLRZZZZVVTO-UHFFFAOYSA-N 434.290 4.240 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccnn1[C@@H](C)c1cc(Cl)ccc1Cl 488705296 WBIMIXVNYOSCIZ-NSHDSACASA-N 437.287 4.241 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)c(F)c2)nnc1-c1ccc([N+](=O)[O-])cc1 489388740 NLTADAVZIVRGAX-ZDUSSCGKSA-N 429.477 4.440 5 20 IIBD COc1ccc(C2(CNC(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CCOCC2)cc1 489442604 WHXDPPILUQVNNJ-KRWDZBQOSA-N 427.501 4.020 5 20 IIBD CC(C)c1nncn1CCNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 489566799 NVWLVIVZJMGOMJ-UHFFFAOYSA-N 442.907 4.005 5 20 IIBD Cc1ccc([C@H](C)NC(=O)Nc2ccc3nccnc3c2Br)cc1[N+](=O)[O-] 491230992 ZTURMSNQOBOEJV-NSHDSACASA-N 430.262 4.492 5 20 IIBD CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 493158650 RKVBHYLHIJWPDW-NQIIRXRSSA-N 425.533 4.055 5 20 IIBD COCc1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2COC)c([N+](=O)[O-])c1 494314699 RWTJSMBORLFTQX-UHFFFAOYSA-N 449.463 4.392 5 20 IIBD CCc1ccc([C@H](NCCc2cccc([N+](=O)[O-])c2)c2cccc(S(C)(=O)=O)c2)cc1 495005507 CEFGQECDXTTZMD-DEOSSOPVSA-N 438.549 4.482 5 20 IIBD C[C@@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)NC[C@H](C)c1ccccc1 495394906 VVWWFVVXDMQVQE-DLBZAZTESA-N 431.561 4.487 5 20 IIBD Cc1sc2nc(CCC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)nc(O)c2c1C 497580878 OXMLVMDFKWMFAM-UHFFFAOYSA-N 426.498 4.046 5 20 IIBD COc1cccc(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1OC1CCCC1 499213477 UKAGIYJBXWCRTJ-UHFFFAOYSA-N 436.468 4.041 5 20 IIBD CC[C@H](C)n1c(SCC(=O)NCc2ccccc2[N+](=O)[O-])nnc1-c1ccccc1 504281765 PFQJCOVPMOOJGX-HNNXBMFYSA-N 425.514 4.233 5 20 IIBD O=C(N[C@H](c1cccs1)C1CC1)c1ccc([N+](=O)[O-])cc1I 508811823 OXRDCFBPCAKKLG-AWEZNQCLSA-N 428.251 4.142 5 20 IIBD COc1cc(C(=O)N2CCc3c(Br)cccc3[C@@H]2C)cc([N+](=O)[O-])c1OC 509939028 LQURUKZUXGWFQZ-NSHDSACASA-N 435.274 4.134 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(CCN3CCCC3)cc2)cc1[N+](=O)[O-] 510050382 QIKGWFMPAXXAPE-UHFFFAOYSA-N 429.542 4.114 5 20 IIBD COc1cc(C(=O)N2c3ccccc3C[C@@H]2C)c([N+](=O)[O-])cc1OCc1cscn1 511124652 LMOHNKDPXCTIFG-ZDUSSCGKSA-N 425.466 4.230 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)cc1[N+](=O)[O-] 511138246 XRXQWATXWMEHKN-UHFFFAOYSA-N 449.916 4.021 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C 511748534 PKWWYSGLEITLBP-UHFFFAOYSA-N 429.454 4.305 5 20 IIBD CC(C)[C@H](NC(=O)CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C)c1ccc2c(c1)OCCO2 513401627 OUFDVFHSJVCTJY-DEOSSOPVSA-N 441.528 4.090 5 20 IIBD CCC[C@@]1(CO)CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 515599062 BFKBZZBVYKVMNG-JOCHJYFZSA-N 431.920 4.485 5 20 IIBD COC(=O)c1cc(NC(=O)Nc2cccc(CC(=O)OC(C)(C)C)c2)c(C)c([N+](=O)[O-])c1 516525654 XHLKOTOKKRKFGS-UHFFFAOYSA-N 443.456 4.218 5 20 IIBD Cc1c(C(=O)Nc2cc(-c3ccc(I)cc3)[nH]n2)cccc1[N+](=O)[O-] 520315451 ZMLGWVJDOCJUMT-UHFFFAOYSA-N 448.220 4.150 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CCC[C@@H]2c2cccc(F)c2)c1 520883779 WBUDTFPTDCFFEI-MRXNPFEDSA-N 429.267 4.022 5 20 IIBD CCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 521773458 IQNOOHSOVLZKRH-UHFFFAOYSA-N 433.711 4.222 5 20 IIBD CCN(CC(C)C)C(=O)c1ccccc1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C 523450535 BCWQVXBZLNCJHR-UHFFFAOYSA-N 433.530 4.131 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N(c2ccc(F)cc2Cl)C(C)C)cc1OC 523980094 VTYUWXCLFBYGJT-UHFFFAOYSA-N 440.855 4.476 5 20 IIBD C[C@@H](C(=O)Nc1cccc(Nc2ccc(Br)cc2[N+](=O)[O-])c1)n1cccn1 524264912 HYUQIVFLBCFTSE-LBPRGKRZSA-N 430.262 4.497 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 525422026 DWVHCGXUTHIIBX-UHFFFAOYSA-N 440.909 4.062 5 20 IIBD COC(=O)COc1ccc(CN[C@@H](c2ccc(F)cc2)c2cccs2)cc1[N+](=O)[O-] 530389110 MZMZMINYTHCGPR-NRFANRHFSA-N 430.457 4.226 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1 530441181 OOEQAQLHMDHBME-FQEVSTJZSA-N 444.488 4.181 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1nccn1Cc1ccccc1Cl 531025233 YJFCWONKKRCNME-UHFFFAOYSA-N 449.692 4.437 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 536298906 RKCQOPGVCSBHBK-UHFFFAOYSA-N 426.738 4.411 5 20 IIBD COc1cc(CN2CC[C@H](C3CCOCC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 536664358 MMGPKPRKBZIDCR-NRFANRHFSA-N 426.513 4.431 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)Nc2ccccc2O)CC1 539356522 CKXBWKKFGBFLAF-UHFFFAOYSA-N 443.525 4.292 5 20 IIBD COc1ccccc1COC1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 539901671 OFXGJKOZDOAYGP-UHFFFAOYSA-N 449.301 4.187 5 20 IIBD COc1ccc(CC(=O)N[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)cc1[N+](=O)[O-] 541897975 MHEMFEZUTFHKRI-MRXNPFEDSA-N 434.317 4.167 5 20 IIBD CC[C@H](C(=O)N1CCC(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1)c1ccccc1 543550337 BNGIDWALTZXLFR-JXFKEZNVSA-N 441.503 4.138 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F 544413492 CYUVWWVERJORCP-IUUKEHGRSA-N 439.281 4.492 5 20 IIBD O=C1CNC(=O)N1Cc1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 544599966 TUUWCIASSAUHAB-UHFFFAOYSA-N 440.843 4.172 5 20 IIBD O=[N+]([O-])c1ccccc1Cc1noc([C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)n1 546947560 MNQFMKYNFRYCIH-FQEVSTJZSA-N 432.402 4.275 5 20 IIBD CC[C@H](NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)c1cc(F)cc(Br)c1 547928163 VSJRIUDVNRQGFE-HNNXBMFYSA-N 425.254 4.315 5 20 IIBD CO[C@H](c1ccccc1F)[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 550794283 NWPKUKRXMVVENB-GTNSWQLSSA-N 425.254 4.311 5 20 IIBD Cn1c(COc2ccccc2Cl)nnc1Sc1ncnc2sc([N+](=O)[O-])cc12 552925427 QMZVXIIDYSADFG-UHFFFAOYSA-N 434.890 4.112 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)n1 553232135 UNYCKBJUJZFVNY-UHFFFAOYSA-N 436.211 4.409 5 20 IIBD CC1CCN(c2ccc(C(=O)N3C[C@H](C(F)(F)F)OC(C)(C)C3)cc2[N+](=O)[O-])CC1 553372057 DPUBQGCUANGBBE-QGZVFWFLSA-N 429.439 4.013 5 20 IIBD CC(=O)c1cccc(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 557016342 VDXCJULILFQESL-UHFFFAOYSA-N 449.429 4.349 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1CCOC[C@H]1[C@@H]1CCCO1 557557500 YBBUTJBXXPJCOS-OALUTQOASA-N 448.928 4.419 5 20 IIBD COCCN(Cc1ccco1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccccc1 562260574 OUALPOMELDDGQC-UHFFFAOYSA-N 433.468 4.148 5 20 IIBD O=C(Nc1cc(F)c(Cl)cc1N1CCOCC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 566703782 YTTFFWSEXUMXPG-UHFFFAOYSA-N 448.882 4.420 5 20 IIBD CC(C)(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1csc(-c2ccccc2F)n1 567373414 KDURXZAGWMLGIA-UHFFFAOYSA-N 429.473 4.330 5 20 IIBD O=C(COc1ccc(-c2ccccc2)cc1[N+](=O)[O-])N1CCN(Cc2cccs2)CC1 569270230 AYKLWOYLUWXZCP-UHFFFAOYSA-N 437.521 4.047 5 20 IIBD O=C(NCCc1cnc(SC2CCCC2)nc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 571901754 MXSOZAZCSGNASJ-UHFFFAOYSA-N 440.447 4.411 5 20 IIBD O=[N+]([O-])c1cc2c(c(-c3nc([C@@H](F)c4ccc(C(F)(F)F)cc4)no3)c1)OCCO2 574239094 NXMABJWBJMLKOZ-AWEZNQCLSA-N 425.294 4.494 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(C4(OCc5ccccc5)CCOCC4)n3)c2c1 574437820 NPFBBQJAOMZBAM-UHFFFAOYSA-N 434.452 4.272 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(C3CCN(CC(F)(F)F)CC3)n2)c(Br)c1 575225397 QCOWHGXKZQGLFB-UHFFFAOYSA-N 449.227 4.073 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Oc2ccnc(C(=O)NC)c2)c1 584830766 OGHRXLSQSLGGOF-KRWDZBQOSA-N 448.479 4.349 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1cnn(Cc2ccccc2)c1 589251701 XJFJSHFDRFITGH-UHFFFAOYSA-N 426.432 4.323 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCO[C@H](c4ccc(F)cc4)C3)cc2[N+](=O)[O-])C1 603863914 VVGDXJFPDPNYGC-QZMQVMSPSA-N 441.503 4.430 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 604244266 PAYWXKQQDWTWAB-QGZVFWFLSA-N 448.479 4.170 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)CC1(CC(=O)Nc2nccs2)CCCCC1 609316886 UISPSGDOYXESRQ-UHFFFAOYSA-N 430.530 4.379 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1c(C)cnn1[C@H]1CCCc2ccccc21 609321496 AQDBTEWOVDDDGQ-FQEVSTJZSA-N 440.525 4.389 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cc(Cl)ccc1Sc1nccn1C 609405851 WTDFMEVOHXHPEM-UHFFFAOYSA-N 438.918 4.242 5 20 IIBD O=C(NCCCN(C(=O)C1CCC1)C1CC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 609430721 PIMVYNOZGUEHGV-UHFFFAOYSA-N 436.512 4.249 5 20 IIBD CC(=O)NCc1ccc(-c2nc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)sc2C)s1 609441259 RXIVSFYTMFGHOG-UHFFFAOYSA-N 434.474 4.116 5 20 IIBD O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1cc(F)cc([N+](=O)[O-])c1 609442707 BACDTMOIWTUIDM-UHFFFAOYSA-N 426.366 4.231 5 20 IIBD Cc1nc(-c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)cc2)oc1C 609501166 VRABGSIHKYBKEY-INIZCTEOSA-N 440.481 4.171 5 20 IIBD O=C(CCSCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Nc1ccccc1Cl 609770968 WFJSFDRPOAKYDS-UHFFFAOYSA-N 435.889 4.308 5 20 IIBD Cc1cc(C)n(-c2ccc(CCNC(=O)c3ccc([N+](=O)[O-])cc3Br)cc2)n1 610040407 PEHVWIVPDFJWKS-UHFFFAOYSA-N 443.301 4.132 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(-c3cc(-c4ccccc4)n(-c4ccccc4)n3)n2)n1C 618426303 SRNILMUUFOZZQR-UHFFFAOYSA-N 427.424 4.206 5 20 IIBD Cc1cn(-c2cccc([N+](=O)[O-])c2)c(=O)n1Cc1cccc(C(=O)Nc2ccccc2)c1 619571262 XLXCAXGHYNIBPR-UHFFFAOYSA-N 428.448 4.156 5 20 IIBD COC(=O)c1cc(C)ccc1OC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 729107620 VQHVUFBQJHNDQV-HNNXBMFYSA-N 435.436 4.477 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 729181612 CKVCDJHUGWXJTE-OAHLLOKOSA-N 426.281 4.055 5 20 IIBD CN(Cn1c(=S)oc2ccc([N+](=O)[O-])cc21)[C@@H]1CCN(c2ccccc2Cl)C1=O 732185928 PWWKGXBJQPFZKY-OAHLLOKOSA-N 432.889 4.220 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)ccc1[N+](=O)[O-] 734419116 LBERMROCPZQAAL-UHFFFAOYSA-N 441.513 4.079 5 20 IIBD COc1cc(CN[C@@H]2CCCc3nc(C)ncc32)ccc1OCc1ccc([N+](=O)[O-])cc1 734852295 SIMYKUTYLLHVDR-OAQYLSRUSA-N 434.496 4.448 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N2CCCC[C@H]2C(C)C)cc1 735262664 HBQGAKYJIKKKPT-FQEVSTJZSA-N 446.525 4.322 5 20 IIBD O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C1(c2cccc(Cl)c2)CCC1 735337055 PCFKTZCVEOUXIF-UHFFFAOYSA-N 430.844 4.211 5 20 IIBD Cc1c(Cl)cccc1OCC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 736908947 UVKBSWMOYOXMKL-UHFFFAOYSA-N 446.765 4.136 5 20 IIBD CC(C)[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)N(C)c1ccccc1 740409589 FPKCRQXCDRBSHY-KRWDZBQOSA-N 435.274 4.202 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 740483800 XAYMABIEMPUADS-QFIPXVFZSA-N 429.492 4.212 5 20 IIBD CC(C)(C)OC(=O)N1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc21 741954736 UEFUVLUDQWLZDJ-UHFFFAOYSA-N 442.428 4.295 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1c2ccccc2N(C(=O)OC(C)(C)C)C[C@@H]1C 743345400 HMGCWVLVHKQELK-AWEZNQCLSA-N 447.513 4.242 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)[C@@H]1CCCN(c2ncnc3sccc23)C1 744161695 WHMMMGLYEIGWLU-GFCCVEGCSA-N 432.889 4.383 5 20 IIBD O=C(OCc1cc(Cl)ccc1Cl)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 745029927 RBUVZSGQUUKYHC-CYBMUJFWSA-N 429.281 4.311 5 20 IIBD C[C@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 745334962 KYMANIWXGZOSQG-JTQLQIEISA-N 430.766 4.380 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NOCc3ccc(C(F)(F)F)cc3)cc2)c(C)c1[N+](=O)[O-] 746937897 QRFMSNHCXFQYEE-UHFFFAOYSA-N 448.401 4.337 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCc1cc(Br)ccc1OC(F)F 749818871 USJXXBKCMHBHAL-BAQGIRSFSA-N 427.201 4.288 5 20 IIBD O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 749945421 MYWCCLKWJVJTDZ-ZDUSSCGKSA-N 430.823 4.457 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)COC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1C 750964921 NUIWCYZLKPGZSC-CYBMUJFWSA-N 435.274 4.008 5 20 IIBD COc1ccc2nc(C3CC3)cc(C(=O)O[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])c2c1 751821914 OGEZGIXRHDQTBW-CYBMUJFWSA-N 435.436 4.213 5 20 IIBD COc1cc(C(=O)OCc2nc(O)c3c(-c4ccccc4)csc3n2)ccc1[N+](=O)[O-] 752195027 HYXYEIDLFDFRFT-UHFFFAOYSA-N 437.433 4.338 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCO[C@@]3(CCc4ccccc43)C2)CC1 753753054 AVBFSIAYMIDAQU-VWLOTQADSA-N 435.524 4.145 5 20 IIBD CN1C(=O)CCc2cc(C(=O)COc3ccc(Cc4ccccc4)cc3[N+](=O)[O-])ccc21 753759572 GVZDRHSVQLCJIX-UHFFFAOYSA-N 430.460 4.356 5 20 IIBD CCc1ccc([C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)N(C)C)cc1 754639498 IURZLSIZWPDBGY-QGZVFWFLSA-N 438.297 4.092 5 20 IIBD Cc1ccc(NC(=O)COC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c(Br)c1 755051917 AYKULHHABSXOBD-LLVKDONJSA-N 439.237 4.090 5 20 IIBD CC(C)n1c(S)nnc1CNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 755298814 NMLNNMFSOBMPFZ-UHFFFAOYSA-N 435.575 4.268 5 20 IIBD CN(C(=O)c1ccc(C(=O)O[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1)c1ccccc1 757484491 GEGZAWSGAOIJNS-SFTDATJTSA-N 448.479 4.409 5 20 IIBD C[C@H](Nc1ccc(C(=O)O[C@H]([C@@H]2CCCO2)C(F)(F)F)cc1[N+](=O)[O-])c1ccccn1 757572626 WSMOECPWAMRMCO-UYHISHBKSA-N 439.390 4.430 5 20 IIBD Cc1nn(CN2CC=C(c3cccc(Br)c3)CC2)c2ncc([N+](=O)[O-])cc12 762464485 SEIHUYHTKCSVOL-UHFFFAOYSA-N 428.290 4.157 5 20 IIBD COC(=O)c1ccc(OC(=O)c2ccccc2C(=O)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] 763711535 RSKNLNCTDPHKFN-UHFFFAOYSA-N 441.342 4.110 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc3ccc(C(F)(F)F)nc3c2)c2ncccc12 766477954 KYZJKGSYWCJJGF-UHFFFAOYSA-N 449.366 4.478 5 20 IIBD COc1ccc([C@H](OC(=O)CCn2cc([N+](=O)[O-])nc2C)c2ccc(OC)cc2C)cc1 766729536 QOGSBAVTNSURID-QHCPKHFHSA-N 439.468 4.148 5 20 IIBD COc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 766885561 PVCNHACEWRAFPY-XMMPIXPASA-N 449.507 4.091 5 20 IIBD Cc1ccc(Cc2nc(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)cs2)cc1 768651546 JOPPXGVLMLSYOJ-UHFFFAOYSA-N 426.450 4.174 5 20 IIBD CC(C)N1CCC[C@H](NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 769657281 QNZAEVZJFWPQIW-HNNXBMFYSA-N 444.919 4.103 5 20 IIBD C[C@@H]1CN(Cc2ccc(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)cc2)C[C@@H](C)O1 770325743 QSDOGUNOKRTPKP-ZIAGYGMSSA-N 448.317 4.219 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1ccc(Br)c([N+](=O)[O-])c1 770381063 PYHNDIPQXVAENI-OCCSQVGLSA-N 428.327 4.235 5 20 IIBD Cc1cc(S(=O)(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c32)ccc1[N+](=O)[O-] 773022361 UFQPHPTUWQKAAW-UHFFFAOYSA-N 433.486 4.002 5 20 IIBD CCCCCCn1nc(C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)c2ccccc2c1=O 773990775 GYSPWNPXPKJNJU-UHFFFAOYSA-N 434.496 4.396 5 20 IIBD C[C@@H](Oc1cccc2ccccc12)C(=O)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 774061208 AVXDZLDAVLSAJN-CQSZACIVSA-N 442.855 4.142 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Oc2cc(Cl)cnc2Br)cc1OC 775506454 BJLVHIYITKNKAW-UHFFFAOYSA-N 431.626 4.032 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3CCN(c4ccccc4C(F)(F)F)C3)CC2)cc1 775584755 AEUZBAVWUSFKBM-QGZVFWFLSA-N 434.462 4.451 5 20 IIBD CC(=O)N(CCC(=O)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])Cc1ccccc1 776130341 AGUYHWAMJCBKIJ-DEOSSOPVSA-N 433.464 4.061 5 20 IIBD CCc1ccc(Cl)c(CC)c1NS(=O)(=O)c1ccc(NC(=O)OC)c([N+](=O)[O-])c1 777687686 QCQUPPGTIVWEGE-UHFFFAOYSA-N 441.893 4.352 5 20 IIBD O=[N+]([O-])c1ccc(CCS(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 779905292 RASGACBRNOUIAS-UHFFFAOYSA-N 441.465 4.082 5 20 IIBD COc1ccc2cccc(CC(=O)OCC3CCN(c4ccc([N+](=O)[O-])cn4)CC3)c2c1 780336353 JUQNYJVXIXQKEE-UHFFFAOYSA-N 435.480 4.154 5 20 IIBD O=C(Nc1ccc(O)c(Cl)c1)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 780992196 MPUWJJVVTQHHHA-UHFFFAOYSA-N 447.856 4.007 5 20 IIBD O=C(NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@H](Sc1ccccc1)c1ccccc1 781837369 KTPFGIDPPYGINR-LJQANCHMSA-N 446.481 4.072 5 20 IIBD O=[N+]([O-])c1cccc(Br)c1CN1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 783594198 CRLDJHGPHHUFOQ-NSHDSACASA-N 433.228 4.410 5 20 IIBD CC(C)(C)OC(=O)NCCOc1ccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1 784127865 BNSUINJEYYTNAE-UHFFFAOYSA-N 435.864 4.404 5 20 IIBD Cc1noc(C)c1COc1ccc(CC(=O)OCc2ccc(N(C)C)c([N+](=O)[O-])c2)cc1 784494392 NEAJPURJYFBGGT-UHFFFAOYSA-N 439.468 4.131 5 20 IIBD Cc1ccc(F)c(C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1Br 785107419 UHVZSPVNPCYSOE-UHFFFAOYSA-N 436.193 4.212 5 20 IIBD COc1cc(OC)c(NC(=O)COc2cc([N+](=O)[O-])ccc2Br)cc1Cl 786745819 PWPNUQQPGNRKIH-UHFFFAOYSA-N 445.653 4.045 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccnn2Cc2cccc(Br)c2)c1F 788129343 SPTQPOSYNLMFBC-UHFFFAOYSA-N 433.237 4.302 5 20 IIBD O=[N+]([O-])c1cc(I)ccc1Oc1nc2ccccc2cc1[N+](=O)[O-] 788852558 IHGZUZSIYHGUSS-UHFFFAOYSA-N 437.149 4.448 5 20 IIBD O=[N+]([O-])c1ccc(CSc2nnc(N3CCCCC3)n2-c2ccccc2)c([N+](=O)[O-])c1 789893457 YQERFXJRGHFRMJ-UHFFFAOYSA-N 440.485 4.366 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCc1ccc(NC(=O)c2ccco2)cc1 790504876 ODMBEGWFWSWVCR-UHFFFAOYSA-N 431.807 4.092 5 20 IIBD O=C(c1ccc(F)cc1)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 791027915 VWMFWLULJLMKET-UHFFFAOYSA-N 435.249 4.232 5 20 IIBD COC(=O)c1nc([C@H]2CCCN2Cc2ccc(Br)c([N+](=O)[O-])c2)sc1C 793234644 KHTICJFBALKCGT-CYBMUJFWSA-N 440.319 4.246 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1 800633627 FZOWZKMGDHEUAN-UHFFFAOYSA-N 427.354 4.459 5 20 IIBD CC(C)(C)c1cnc(CCC(=O)Nc2ccc([N+](=O)[O-])c(I)c2)o1 801699835 NVDNJRDNWWJUBW-UHFFFAOYSA-N 443.241 4.056 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC[C@@H](c1ccc(Cl)cc1)C(C)C 804707191 XPJWYLTYWHFGAO-QGZVFWFLSA-N 434.876 4.004 5 20 IIBD CC[C@H](c1cccc(OC)c1)N(C)C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 807542541 XDPZXTDITAOJQE-LJQANCHMSA-N 427.501 4.449 5 20 IIBD CCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(NC(=O)OC)c([N+](=O)[O-])c1 808566316 MHNKWUPTTBOUDB-UHFFFAOYSA-N 447.391 4.007 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1cn2ccc(Br)cc2n1 808628680 OTMWIAHMCRPJLS-UHFFFAOYSA-N 440.051 4.020 5 20 IIBD C[C@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ccc(SCC(=O)N(C)C)cc1 809071223 VOOPMMWIQCYNJS-ZDUSSCGKSA-N 428.466 4.439 5 20 IIBD C[C@H](OC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(=O)Nc1ccc(N(C)C)cc1 811375117 VGNPTXLBVPHWOI-JTQLQIEISA-N 426.256 4.152 5 20 IIBD C[C@@H](OC(=O)c1c(F)cc(C(F)(F)F)cc1F)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 811420293 WOQZMAQSFNLGDD-SSDOTTSWSA-N 436.264 4.215 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 812133332 HZUHTCQTJMZNJL-BHDDXSALSA-N 433.512 4.272 5 20 IIBD CCOc1ccc([C@@H](O)C2CCN(C(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)CC2)cc1 812674004 QPEDNTQHDICWPI-OYHNWAKOSA-N 430.476 4.208 5 20 IIBD COc1ccc([C@H](O)C2CCN([C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CC2)cc1 812858827 CUZGRSGCCLNWFE-QKKBWIMNSA-N 447.919 4.029 5 20 IIBD O=C(CCOc1ccccc1I)Nc1cccc([N+](=O)[O-])c1Cl 813247253 PVLIOOUGCXISEA-UHFFFAOYSA-N 446.628 4.260 5 20 IIBD Cc1cc(-c2noc([C@H](C)OC(=O)c3cc([N+](=O)[O-])c(N(C)C)cc3F)n2)ccc1F 814484429 FPJGWAFGLAPCEV-NSHDSACASA-N 432.383 4.215 5 20 IIBD Cc1cc(Cl)c(C(=O)O[C@H](C)C(=O)Nc2ncc(Cl)cc2Cl)cc1[N+](=O)[O-] 815405737 HRRDBOYGTXPVAZ-MRVPVSSYSA-N 432.647 4.442 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1F)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 822216998 JHELXYKDUNEQBY-UHFFFAOYSA-N 439.365 4.244 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1 914578609 NTHMLJCLUFHPLP-UHFFFAOYSA-N 437.429 4.444 5 20 IIBD Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 914955229 FCOQQRQNZFBUDG-UHFFFAOYSA-N 442.811 4.442 5 20 IIBD O=C(COC(=O)c1cc(-c2ccccc2Cl)[nH]n1)Nc1cc(Cl)ccc1[N+](=O)[O-] 914997396 COEIXAZXWPRNGQ-UHFFFAOYSA-N 435.223 4.087 5 20 IIBD Cc1nc(Cc2ccc(F)cc2)sc1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 915398392 VIZJMEIMHFNJRA-ZDUSSCGKSA-N 443.456 4.274 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(Cc1cccs1)c1ccc(C)cc1 915664443 HPTZCWSHARMMRE-UHFFFAOYSA-N 440.477 4.398 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 917803000 FLWWVHQPBDPFLF-VKVQTHCXSA-N 428.448 4.290 5 20 IIBD O=C(OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1csc(-c2cccs2)n1 920149365 WSVFYPLOPKGUML-UHFFFAOYSA-N 437.886 4.020 5 20 IIBD CCO[C@@H](C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccccc1 920691024 VHFDXZUGPAEEPA-SJKOYZFVSA-N 440.374 4.262 5 20 IIBD COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc1 1116143023 IWHHAZHEEQJVHX-UHFFFAOYSA-N 435.411 4.151 5 20 IIBD C[C@H](Oc1ccccc1F)c1nnc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)o1 1257705858 OJHCINVQSYOZFI-AAEUAGOBSA-N 432.433 4.296 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 1338571521 PUBPRHGYQBRLAY-UHFFFAOYSA-N 446.548 4.037 5 20 IIBD Nc1c(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc(Br)cc1[N+](=O)[O-] 1340031838 JPAXEJBPZHAXPH-UHFFFAOYSA-N 434.246 4.233 5 20 IIBD O=C(Cc1cc(F)ccc1[N+](=O)[O-])NC1(c2ccc(NC(=O)C3CCC3)cc2)CCC1 1787608935 OKDGNRLREDENHC-UHFFFAOYSA-N 425.460 4.211 5 20 IIBD CCCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)C3)cc1 1799762836 AOQYBELXMXFZKY-OASDFDIOSA-N 437.496 4.106 5 20 IIBD C[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C2)c1ccccc1 1801747535 IVTAPRCNHSWRHI-TWHAJKEOSA-N 449.551 4.359 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])[nH]n1)[C@@H]1CC=CCC1 1814792883 XHIZFYNCCNCFJU-KDOFPFPSSA-N 441.463 4.119 5 20 IIBD C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)COc1ccccc1[N+](=O)[O-])OCCO3 10367589 IOKUEJVXFAKYNG-MRXNPFEDSA-N 438.480 4.160 5 20 IIBD COc1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c([N+](=O)[O-])cc1OC(F)F 11527312 WAMBIOCYLUVNCG-UHFFFAOYSA-N 447.350 4.302 5 20 IIBD CCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 25387029 FJWBMOVSZJZOHS-SNVBAGLBSA-N 427.240 4.484 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)Nc1cccc(Cl)c1Cl 28612457 GPSQGVVAZFKQJX-UHFFFAOYSA-N 438.267 4.297 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ncc(Cc3cccc(F)c3)s2)cc([N+](=O)[O-])c1 31993107 QABNXDYHSXRPHB-UHFFFAOYSA-N 429.429 4.210 5 20 IIBD O=C(c1c(F)cccc1Cl)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 36717034 MMGLNMHUUZQALL-UHFFFAOYSA-N 431.773 4.369 5 20 IIBD C[C@@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)Nc1ccc([N+](=O)[O-])cc1 36802324 AVXXLFUWKJPNIL-MRVPVSSYSA-N 445.810 4.429 5 20 IIBD Cc1cc(C)n(-c2ccc(COC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)cc2)n1 59966712 HZTBTBZIYVLQHC-UHFFFAOYSA-N 431.452 4.155 5 20 IIBD CC(C)NC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 64807185 VOSFOSSFUMGVQF-NSHDSACASA-N 440.283 4.446 5 20 IIBD O=[N+]([O-])c1ccc(Sc2nnc(CN3CCCC3)n2-c2ccccc2)c2ccncc12 96994224 IAJQJTJXZDLABF-UHFFFAOYSA-N 432.509 4.471 5 20 IIBD Cc1sc2nc(CS[C@H](C)C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)[nH]c(=O)c2c1C 108285723 HETWTKNIDSNMAK-DGCLKSJQSA-N 446.554 4.009 5 20 IIBD CC(C)(C)OC(=O)NC[C@](C)(NCc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 236800768 ZHQVSOHFQZKTNZ-SFHVURJKSA-N 428.327 4.140 5 20 IIBD O=c1c(Cl)c(N2CCC(OC3CCCCC3)CC2)cnn1-c1ccc([N+](=O)[O-])cc1 301206903 ZOFDLRXYASMXRG-UHFFFAOYSA-N 432.908 4.112 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Br)cc(Br)c1 318732984 RKOFKCXUEZDRRC-UHFFFAOYSA-N 430.052 4.381 5 20 IIBD O=C(Nc1ccc(OCC(F)(F)F)c(Cl)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 410419755 NCOLRORGXVQDKB-UHFFFAOYSA-N 432.738 4.213 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)Nc1nnc(-c2cccc(Br)c2)s1 427600309 FKJQLAUQHGJKNP-UHFFFAOYSA-N 435.259 4.137 5 20 IIBD COc1ccc([C@@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])N2CCCCC2)cc1 429865547 KTXIIMFLDIZEJZ-JOCHJYFZSA-N 425.529 4.224 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 431023510 HUTRYHDLLZAVLM-MRXNPFEDSA-N 443.656 4.364 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCCCC(C)(C)CO)cc1[N+](=O)[O-] 432967600 QLKYEQASJFPABW-UHFFFAOYSA-N 430.526 4.076 5 20 IIBD CCC[C@@H]1CCc2nc(NC(=O)C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)sc2C1 434810738 ZWTOTOJOPFTBLS-ZIAGYGMSSA-N 430.530 4.081 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C[C@@H](NC(=O)c2ccc(O)cc2)c2ccccc2)cc1[N+](=O)[O-] 436559294 UNHOVGOTTFHPER-HTAPYJJXSA-N 447.491 4.347 5 20 IIBD COc1cc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c(OC)cc1Cl 438811321 LDJZNEJRTZAZGZ-UHFFFAOYSA-N 441.676 4.373 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 443949753 SVQDPRXGTNOZPV-IRXDYDNUSA-N 426.517 4.143 5 20 IIBD COc1ccc(NC(=O)CCN[C@H](C)c2nc3ccccc3n2C(F)F)c([N+](=O)[O-])c1 444673785 IZRSBTRIVAESJN-GFCCVEGCSA-N 433.415 4.028 5 20 IIBD CN(C(=O)c1cccc(NC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c1)c1ccccc1 445240914 POLFZXPBSYEKDO-UHFFFAOYSA-N 444.451 4.069 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N1CC=C(c2ccccc2C(F)(F)F)CC1 446915935 YUPPMKMFMBKVFI-UHFFFAOYSA-N 445.401 4.489 5 20 IIBD CN(c1ccccc1)c1ccc(CNc2cc(-c3cccnc3)nn2CCO)cc1[N+](=O)[O-] 447085810 KBHFMBRIFHRAQI-UHFFFAOYSA-N 444.495 4.226 5 20 IIBD COc1ccccc1[C@H](NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 460283924 VXDIGVNGKUMDLY-HSZRJFAPSA-N 433.464 4.297 5 20 IIBD Cc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)c2cccc(S(C)(=O)=O)c2)c(C)c1 460566399 RPSADZKPJYEVCE-FQEVSTJZSA-N 444.534 4.196 5 20 IIBD C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 461399619 QSKLJAIYHUCGAT-GFCCVEGCSA-N 437.265 4.096 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@H](C)c1ccc(F)c(Br)c1 461915572 HKTGPWZCYQYPSD-NSHDSACASA-N 425.254 4.315 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 462371361 VIFLYDAHRVQASB-SAZUREKKSA-N 428.286 4.444 5 20 IIBD CNc1c(C(=O)Nc2ccc(Oc3cccc(S(C)(=O)=O)c3)cc2)cccc1[N+](=O)[O-] 462998875 ZKZQDDVTSHBEJR-UHFFFAOYSA-N 441.465 4.085 5 20 IIBD Cc1ccc(-n2c(S[C@H](C)c3ccccc3[N+](=O)[O-])nnc2N2CCOCC2)cc1 463261468 XGULSQJCZNDKIE-MRXNPFEDSA-N 425.514 4.174 5 20 IIBD Cc1cc(F)ccc1N1CCC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 463712830 PTDDBVLGYSSIOR-HNNXBMFYSA-N 425.382 4.460 5 20 IIBD COCCN(C(=O)c1ccc(F)c(F)c1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 465414403 UPFXPYHQSKUDES-UHFFFAOYSA-N 437.399 4.429 5 20 IIBD COCCN(Cc1cncs1)C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 468562151 YOCSHDAXEVWJEY-UHFFFAOYSA-N 429.523 4.491 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(Cc3ccc(F)c(F)c3)CC2)cc1OC 469379555 RSXHYBTVKWSEKL-UHFFFAOYSA-N 434.439 4.375 5 20 IIBD Cc1csc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)c1I 469395039 HDAKYVVOMDLHLI-UHFFFAOYSA-N 428.251 4.162 5 20 IIBD C[C@H](N(Cc1ccccc1)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C 470291378 GGFWRFHZDNXVGF-KRWDZBQOSA-N 447.557 4.015 5 20 IIBD C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1 470706138 DDETZDPUOXMZTD-GJZGRUSLSA-N 429.448 4.155 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCCc3ccccc3OC(F)F)cc2)c(C)c1[N+](=O)[O-] 472437775 CHDMDUOVNIXHKV-UHFFFAOYSA-N 444.438 4.030 5 20 IIBD COc1cccc([C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])c2cc(F)ccc2OC)c1 472947657 DIVANIQDMMLQEL-QFIPXVFZSA-N 439.443 4.340 5 20 IIBD C[C@H](NC(=O)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1)c1cccc([N+](=O)[O-])c1 474125546 WHPXUQUOHVMUFD-LSRZYVKLSA-N 447.495 4.469 5 20 IIBD O=C(CCC1CCCC1)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 475210892 SWBRKJXNZDYHEH-UHFFFAOYSA-N 442.438 4.260 5 20 IIBD CC(=O)C[C@@H]1COCCN1C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 478252748 MWGWTAPRQQGKJQ-OAHLLOKOSA-N 434.901 4.220 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCNc1ccc(C(F)(F)F)cn1 479303655 OVTGIPZPYPPKSN-GFCCVEGCSA-N 428.436 4.108 5 20 IIBD O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 481971781 FIDYVUYPORYSRB-UHFFFAOYSA-N 433.449 4.091 5 20 IIBD Cc1cc(C)n(-c2ccc(CNC(=O)c3cc([N+](=O)[O-])ccc3SCC(C)C)cn2)n1 483240735 CEGJUZCEVRPNDU-UHFFFAOYSA-N 439.541 4.470 5 20 IIBD COc1ccc(NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])c(Br)c1 484428437 VBGPTEOKVHNRKV-UHFFFAOYSA-N 427.276 4.349 5 20 IIBD CN(CCNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])Cc1ccc(F)cc1 485725147 LYLGRNKQANRMTI-UHFFFAOYSA-N 437.471 4.175 5 20 IIBD Cc1cccc(N2CCC(NC(=O)c3cc([N+](=O)[O-])ccc3SCC(C)C)CC2)n1 489180617 RPRZGIQMQHDSIH-UHFFFAOYSA-N 428.558 4.445 5 20 IIBD O=C(Nc1ccc(OC(F)F)c2ncccc12)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 489954943 GUQQOAIRZFGXDO-UHFFFAOYSA-N 425.351 4.182 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2F)cc([N+](=O)[O-])c1 490904486 AQXUUYQQJHAYNF-UHFFFAOYSA-N 432.404 4.118 5 20 IIBD COc1c(S(=O)(=O)Nc2cc(Cl)ccc2C)cc(Br)c(C)c1[N+](=O)[O-] 491764980 VEQOLRPPBZNBMG-UHFFFAOYSA-N 449.710 4.437 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnn(S(=O)(=O)c3cc(Cl)cc(C(F)(F)F)c3)c2)c1 493637655 ZMONYTCMYJTCDO-UHFFFAOYSA-N 431.779 4.368 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1ccc(Oc2cccnc2)cc1 494250209 HEVQPIOUHBNHON-HNNXBMFYSA-N 439.493 4.358 5 20 IIBD O=C(Nc1ccc2[nH]ccc2c1)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 497866618 DKMOCLLOUFSEHM-UHFFFAOYSA-N 436.449 4.129 5 20 IIBD CC(C)(C)c1nc(CCNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cs1 497970164 ZNWXQAFFFMDAOU-UHFFFAOYSA-N 432.546 4.144 5 20 IIBD O=C(c1cn(-c2cccc(C(F)(F)F)c2)nn1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 498149213 FTVUCPVUGKUMSH-GOSISDBHSA-N 449.414 4.082 5 20 IIBD COCCN(C(=O)c1cccc(COC)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 499130764 AQYCZDGFARLMKQ-UHFFFAOYSA-N 427.482 4.158 5 20 IIBD Cn1cc(C(=O)N2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 502114412 DNSHFYHCCSRAMK-OAHLLOKOSA-N 449.442 4.295 5 20 IIBD COc1ccc(CSCC(=O)N[C@H](c2ccccc2)c2nccs2)cc1[N+](=O)[O-] 505041516 LJRIFCICZIWICC-LJQANCHMSA-N 429.523 4.199 5 20 IIBD CCOc1cc(NC(=O)NCc2cc(-c3ccccc3)no2)c([N+](=O)[O-])cc1OCC 505650418 UMCMRUCBWRMAGD-UHFFFAOYSA-N 426.429 4.369 5 20 IIBD C[C@@H]1CN(Cc2ccc(CNC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2)C[C@@H](C)O1 507301737 HLWAMDDDQJTARE-HZPDHXFCSA-N 439.537 4.349 5 20 IIBD Cc1sc(NC(=O)c2ccccc2S[C@H](C)C(N)=O)nc1-c1cccc([N+](=O)[O-])c1 509538335 IMBWINRMAQJCJF-GFCCVEGCSA-N 442.522 4.245 5 20 IIBD O=C(NCc1ccc(OC(F)F)c(F)c1)c1sc(Br)cc1[N+](=O)[O-] 511311077 VXMINJUOQINEHH-UHFFFAOYSA-N 425.182 4.089 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CNc3cc(Cl)ccc3OC[C@@H]3CCCO3)n2)c1 518701235 JBEDWXODWGBCQF-INIZCTEOSA-N 430.848 4.468 5 20 IIBD COc1cc(OCC(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)ccc1[N+](=O)[O-] 520560332 HYKNMTSGZRAQCQ-UHFFFAOYSA-N 445.815 4.120 5 20 IIBD COc1cc(-n2cccc2)c(Cl)cc1C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 521858417 HJWRJUHPBZXCQD-UHFFFAOYSA-N 437.843 4.486 5 20 IIBD Cc1ccc(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1NS(C)(=O)=O 522680002 SCMCSZRAXAMYPQ-UHFFFAOYSA-N 441.465 4.319 5 20 IIBD Cc1sc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)nc1-c1ccc(OC(F)F)cc1 523955522 VGOHVZMQOJVCPZ-UHFFFAOYSA-N 437.428 4.198 5 20 IIBD COc1ccc(Br)c(NC(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])c1 525346559 NZSBMBWKJDYVLE-UHFFFAOYSA-N 437.294 4.298 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)[C@H]1CCSc2ccccc21)c1ccccc1[N+](=O)[O-] 525651721 UOISXCWGCAEKLB-WMZOPIPTSA-N 428.510 4.373 5 20 IIBD O=C(CCc1cc(Br)ccc1F)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 534007573 IZXUDXRJMCAZJF-UHFFFAOYSA-N 439.237 4.229 5 20 IIBD CCOc1cc(C(=O)NCc2cccc(NC(=O)c3ccccc3)c2)c([N+](=O)[O-])cc1OC 534371179 WXDFIWCCZDALDH-UHFFFAOYSA-N 449.463 4.184 5 20 IIBD CC(=O)Nc1ccc(S(=O)(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c2ccccc12 538662430 RCEUKOCPELKGTF-UHFFFAOYSA-N 439.493 4.060 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 539232618 LEEMPSZGLBBKDC-KRWDZBQOSA-N 432.480 4.445 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)n(-c3ccccc3Cl)n2)cc1OC 540745261 OFWBMVQWIYGYJR-UHFFFAOYSA-N 430.848 4.402 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnn(S(=O)(=O)c3ccc(Br)cc3Cl)c2)c1 540867730 GTQQOOYLIKQDMF-UHFFFAOYSA-N 442.678 4.111 5 20 IIBD CC[C@@H]1C[C@H](C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)CC(=O)N1 541729798 FAVACLSOUNXUOE-UONOGXRCSA-N 449.866 4.101 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 544282163 BYZQBUPOBNNDTN-UHFFFAOYSA-N 435.362 4.130 5 20 IIBD CCN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 546183780 GVLABXFARVJPHG-KRWDZBQOSA-N 432.318 4.094 5 20 IIBD O=[N+]([O-])c1ccc(OCc2nc(Cc3c[nH]c4cc(Br)ccc34)no2)cc1 547249413 DHKYSWOOTOSRDW-UHFFFAOYSA-N 429.230 4.391 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)c(C)c([N+](=O)[O-])c1 550106286 KYLIPRYNJGWVKW-UHFFFAOYSA-N 449.250 4.435 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H]2CCCOc3c(F)cccc32)cc1[N+](=O)[O-] 551432966 CFPBQPVKCLFHPD-KRWDZBQOSA-N 429.448 4.000 5 20 IIBD CC[C@H](c1ccccc1)c1nnc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)s1 553040154 RIRCAELFMCESQD-GOSISDBHSA-N 434.481 4.426 5 20 IIBD Cc1csc(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c1I 553727086 VEPXZOQFOOOBIX-UHFFFAOYSA-N 430.267 4.234 5 20 IIBD CC(C)c1[nH]nc(C(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)c1[N+](=O)[O-] 557438778 UHRSFNLJOXRUNY-BXUZGUMPSA-N 426.395 4.062 5 20 IIBD CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1ccccc1[N+](=O)[O-] 558071630 UWGOHICCENDMNI-UHFFFAOYSA-N 433.530 4.169 5 20 IIBD O=[N+]([O-])c1ccc(N[C@@H]2c3ccccc3CC23CCOCC3)nc1OCc1ccccc1 558599634 PXYFGHZDWLQXMH-HSZRJFAPSA-N 431.492 5.075 5 20 IIBD CCOc1cc(CN[C@@H]2CCC[C@@H]2F)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 569438613 AZZXZMJLQGUPFM-VQTJNVASSA-N 446.475 4.419 5 20 IIBD CC(C)[C@@H](NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(Cl)cc1F 571475887 LUJIWFGBWUZRJP-HXUWFJFHSA-N 447.894 4.392 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccccc1)c1noc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 572418263 NVNGNTWYINKWPA-HXUWFJFHSA-N 435.484 4.372 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2c2nc(-c3ccnc(OC4CCC4)c3)no2)ccc1[N+](=O)[O-] 573485796 XVQZXIYHJIWHHX-IBGZPJMESA-N 449.467 4.257 5 20 IIBD CCc1ccc([C@H]2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)C2)cc1 575773193 YGIFEVVJZLNESM-JTHBVZDNSA-N 435.524 4.086 5 20 IIBD O=C(NC1(c2noc(-c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)n2)CCCC1)c1ccccc1 581218033 QAPZRKYWEYLGFD-UHFFFAOYSA-N 444.451 4.030 5 20 IIBD COCCN(C(=O)[C@H]1Cc2ccccc2S1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 590614156 XISTYRDFWMFEIJ-LJQANCHMSA-N 441.534 4.415 5 20 IIBD C[C@H](Sc1nnc(-c2ccc(OC(F)F)cc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 594669181 AHZDXDUCQSKXBV-JTQLQIEISA-N 436.396 4.366 5 20 IIBD CCOc1ccc([C@H](C)Nc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1OCC 603474051 OUOONAJONXOYJS-INIZCTEOSA-N 443.500 4.038 5 20 IIBD NC(=O)CCCNC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2 603639560 LNINTVACZGESCQ-VKAVYKQESA-N 444.491 4.015 5 20 IIBD COc1ccc(CNC(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)cc1[N+](=O)[O-] 604105755 WRQDLWUYNQZIGH-INIZCTEOSA-N 436.468 4.138 5 20 IIBD COc1cc(C(=O)N[C@H]2CCc3ccc(C)cc32)c([N+](=O)[O-])cc1OCc1cscn1 609304685 QNJULSAZICKIBW-SFHVURJKSA-N 439.493 4.365 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F 609326477 AWXSRMBTWGHPJI-UHFFFAOYSA-N 425.754 4.408 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 609639311 UETXDFZDVAVTBU-UHFFFAOYSA-N 437.374 4.148 5 20 IIBD C[C@H](Oc1ccccc1NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 609667030 ZCSWGHYNUUILPH-SJORKVTESA-N 433.464 4.492 5 20 IIBD C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 610212252 VWBXHOSWYBCCMO-OAHLLOKOSA-N 427.892 4.105 5 20 IIBD COc1ccc(CNCc2ccc([S@@](C)=O)cc2)cc1OCc1ccc([N+](=O)[O-])cc1 610574893 OLBFMNKGYVFUPT-WJOKGBTCSA-N 440.521 4.210 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NCC1(CO)CCCCC1 610779952 NEFWUOSPZASQHB-UHFFFAOYSA-N 448.523 4.049 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1NCCc1ccccc1 612412035 LWKUTYRCCRUACA-QGZVFWFLSA-N 432.480 4.006 5 20 IIBD O=C(Nc1ccccc1-c1noc(C(F)(F)c2ccc([N+](=O)[O-])cc2)n1)c1ccccn1 612927608 DFLVVDOMNBEBCO-UHFFFAOYSA-N 437.362 4.432 5 20 IIBD COc1ccc(-c2nnc(Sc3ncccc3[N+](=O)[O-])n2-c2ccc(OC)cc2)cc1 619683780 ZGDLNBQHOWAKFJ-UHFFFAOYSA-N 435.465 4.406 5 20 IIBD COCCOCc1cccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 681963237 WSSQZUKBPMVTNH-UHFFFAOYSA-N 438.430 4.375 5 20 IIBD CC(C)[C@H](OC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C(=O)Nc1cccc2ncccc12 725935698 RPRPUNPNFAHNKZ-IBGZPJMESA-N 429.379 4.241 5 20 IIBD CC[C@@H](C)n1ncc2c(C(=O)OCc3nc(-c4cccc([N+](=O)[O-])c4)no3)cc(C)nc21 725955534 MUTOLNIOQOYYQE-CYBMUJFWSA-N 436.428 4.026 5 20 IIBD CCn1cc(Br)cc1C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 726816968 UGCUWCLCXDQJJF-SNVBAGLBSA-N 435.234 4.147 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cccc(CC[C@H](O)c3ccccc3)c2)cc1[N+](=O)[O-] 727362380 MBCZIRWBHWRCPK-NRFANRHFSA-N 442.493 4.070 5 20 IIBD O=C(COC(=O)C[C@H](c1ccccc1)C(F)(F)F)Nc1cc(Cl)ccc1[N+](=O)[O-] 728653233 JHNGGHGFSFQOJO-CYBMUJFWSA-N 430.766 4.466 5 20 IIBD O=C(OCc1c(F)cccc1[N+](=O)[O-])C1(c2ccc(Br)cc2)CCOCC1 728996275 AIJUWONZQKVEAS-UHFFFAOYSA-N 438.249 4.288 5 20 IIBD COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)OCc1c(F)cccc1[N+](=O)[O-] 734921860 FCJMCEFCLUKYCV-GOSISDBHSA-N 434.420 4.052 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)Cc1csc(NC(=O)c2ccccc2)n1 735821137 QMPRBJFYMROBIG-UHFFFAOYSA-N 430.873 4.447 5 20 IIBD O=C(Oc1ccc(-c2nnco2)cc1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 735990845 GSFPREQKTGEINM-UHFFFAOYSA-N 446.206 4.357 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)OC[C@@H]2CC(=O)N(C)[C@@H]2c2cccc(Cl)c2)c1 737377068 BCCROUVBSLNPKW-ORAYPTAESA-N 434.901 4.347 5 20 IIBD COC(=O)Nc1ccc(CCNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1 737874826 IEHHWMOYVWESPU-UHFFFAOYSA-N 448.479 4.358 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2nc(C)n3ccccc23)c2ccccc2)c([N+](=O)[O-])c1 741364303 VDIQLKSEXXJLGV-QFIPXVFZSA-N 444.447 4.396 5 20 IIBD CCOc1ccc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 744554073 KVDKPJTYFXVOJN-INIZCTEOSA-N 441.484 4.168 5 20 IIBD C[C@@H](OC(=O)C1(NC(=O)OC(C)(C)C)CCCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 744963471 IWDZJFGBVZKELB-CYBMUJFWSA-N 446.460 4.087 5 20 IIBD COc1cc(C2(C(=O)O[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CCCC2)ccc1C 744989215 XGRYNJBCXCCBND-MRXNPFEDSA-N 426.469 4.294 5 20 IIBD C/C=C\c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c(OC)c1 746603190 LOBNWYHQVDKRCF-ARJAWSKDSA-N 428.260 4.167 5 20 IIBD C[C@H](OC(=O)Cc1cccc(OC(F)(F)F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 748346724 OFQDMFFACMZRRE-JTQLQIEISA-N 446.765 4.260 5 20 IIBD Cc1cc(C(=O)COC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c(F)cc1F 748885260 NABOSBVFKOEGBR-UHFFFAOYSA-N 433.285 4.162 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Oc2ccc(-c3cscn3)cc2)c1 749298678 ONRNXQNKFNRUOO-UHFFFAOYSA-N 441.284 4.249 5 20 IIBD Cc1nn(CN2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)c2ncc([N+](=O)[O-])cc12 749949964 HDDBIABTSFVVEQ-QGZVFWFLSA-N 440.262 4.125 5 20 IIBD Cc1cccc2nc(CNC(=O)c3cc(Br)cc([N+](=O)[O-])c3Cl)n(C)c12 750914095 LURAHIGVYIJYOU-UHFFFAOYSA-N 437.681 4.136 5 20 IIBD C[C@H](OC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)Nc1cc(Cl)ccc1F 750965863 PUBFPURIJWGSAF-QMMMGPOBSA-N 445.628 4.334 5 20 IIBD C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1I 751355151 KAEWTOMXIAWPHV-SWLSCSKDSA-N 436.249 4.218 5 20 IIBD C[C@H](OC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1c(F)cccc1F 751635051 NIIFWHWQRGUORO-VIFPVBQESA-N 430.816 4.189 5 20 IIBD CC[C@H](CC(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccc(OC)cc1 752492651 SONDKCYGTKLBCW-GOSISDBHSA-N 427.501 4.342 5 20 IIBD O=C(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cc(Cl)sc1Cl 755046900 SLTJLVCDNBUIPI-UHFFFAOYSA-N 442.324 4.275 5 20 IIBD Cc1c(Cl)cccc1NC(=O)CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl 756964951 INVTXCNGIHGNFC-UHFFFAOYSA-N 425.272 4.038 5 20 IIBD COc1cc(C(=O)O[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)c([N+](=O)[O-])cc1OC 758907794 PHFCGVSOVABFLN-ZDUSSCGKSA-N 427.413 4.197 5 20 IIBD Cc1c(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cnc(Cl)c1Br 759276706 AMCRWSMDDQVTEZ-UHFFFAOYSA-N 443.641 4.491 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 759335528 YSMUNEMTDSEIEL-UHFFFAOYSA-N 438.484 4.325 5 20 IIBD Cc1cc(C)c(N2C[C@H](c3nc(CCNc4ccccc4[N+](=O)[O-])no3)CC2=O)c(C)c1 761968100 HDXQSESTTDWLSA-QGZVFWFLSA-N 435.484 4.078 5 20 IIBD O=C1OCCN1c1cccc(-c2noc(-c3csc(-c4cccc([N+](=O)[O-])c4)n3)n2)c1 762197967 RXPAETWWIXFCHK-UHFFFAOYSA-N 435.421 4.392 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 763948213 ICANEAYZHTYROU-UHFFFAOYSA-N 437.468 4.464 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Oc1ccc(NC(=O)c2ccco2)cc1 764567363 PIGKUUZKZRAKLC-UHFFFAOYSA-N 442.449 4.398 5 20 IIBD O=C(Nc1ccc(Nc2ccc(F)cc2F)c(Br)c1)c1n[nH]cc1[N+](=O)[O-] 765233383 NTCFOLSUPFZAQW-UHFFFAOYSA-N 438.188 4.355 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCc1ccc(Cl)cc1C 769067588 ZKVLEZZEXCKYPR-SFHVURJKSA-N 436.917 4.152 5 20 IIBD CC(C)c1ccc(CNc2cc(Cl)ccc2OCCS(C)(=O)=O)cc1[N+](=O)[O-] 770575467 FAIAIYYUUFNEOQ-UHFFFAOYSA-N 426.922 4.407 5 20 IIBD COc1cc(Cc2noc(/C=C(\C)c3ccc([N+](=O)[O-])cc3)n2)c([N+](=O)[O-])c(OC)c1 771749207 VYZQEILAJKQSCW-XYOKQWHBSA-N 426.385 4.055 5 20 IIBD C[C@H](CCS(C)(=O)=O)OC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 774838490 BDPHKGVERUCZEA-GFCCVEGCSA-N 427.862 4.021 5 20 IIBD CC(C)NC(=O)Nc1cccc(C(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])c1 776132011 GWQQIWLQYLQWGO-OAQYLSRUSA-N 434.452 4.466 5 20 IIBD CSc1cccc(C(=O)N(C2CC2)C2CCN(C(=O)OC(C)(C)C)CC2)c1[N+](=O)[O-] 776794333 BNMPGEHJKLMRFW-UHFFFAOYSA-N 435.546 4.321 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc(C)n(-c3ccc(Cl)cc3)n2)cccc1[N+](=O)[O-] 778145610 BOCIYBXZTXUYGH-CQSZACIVSA-N 442.859 4.235 5 20 IIBD Cc1c(C(=O)N[C@@H](CCc2ccccc2)C(F)(F)F)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 778215395 NLRRSJFWCZGDLS-INIZCTEOSA-N 425.363 4.413 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 782168613 BBRJCFHEUFZTNI-SFHVURJKSA-N 437.265 4.082 5 20 IIBD CC(C)(C)OC(=O)NCCOc1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 784131543 FLLZXDLQVFJKFD-UHFFFAOYSA-N 435.864 4.404 5 20 IIBD COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Oc1cc([N+](=O)[O-])ccc1Cl 786859620 UFYMEXPHLHWCMK-JTQLQIEISA-N 436.269 4.083 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)OC/C=C/c2ccc(Cl)cc2)cc1[N+](=O)[O-] 787563906 GLOVCIMRNRLEPM-NSCUHMNNSA-N 430.873 4.398 5 20 IIBD COC(=O)c1cc(Br)cc(NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1Cl 789672949 RLSJGUATUZDBFR-UHFFFAOYSA-N 444.625 4.318 5 20 IIBD O=c1cc(-c2ccc([N+](=O)[O-])cc2)c2ccc(OS(=O)(=O)CCC(F)(F)F)cc2o1 790116655 ZCORHSKEXGIISG-UHFFFAOYSA-N 443.355 4.029 5 20 IIBD CCC[C@@H](NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)c1ccccn1 790709263 NLQGNMREXJIDEK-QGZVFWFLSA-N 433.306 4.361 5 20 IIBD O=C(CCCOc1ccc(F)cc1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791175372 ZVFTWUASVIXCNK-UHFFFAOYSA-N 437.265 4.240 5 20 IIBD C[C@H]1[C@H](NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)CCN1C(=O)OC(C)(C)C 796648648 HHDMTXLBBRNPKP-ZRGWGRIASA-N 430.505 4.373 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)O[C@@H]2CCCOc3c(F)cccc32)cc1[N+](=O)[O-] 797092853 IXXJXKFYTZFVLB-MRXNPFEDSA-N 444.444 4.084 5 20 IIBD CN(C(=O)[C@H]1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1)c1ccccc1 797440389 TXZXETAYHPDMLQ-LBPRGKRZSA-N 438.362 4.011 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCc1ccncc1OCC(F)(F)F 798414965 WFDKVXYTXHMNJL-UHFFFAOYSA-N 440.256 4.470 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccc(C(F)(F)F)cn1 805362779 NMSCAYDXEMLHFZ-UHFFFAOYSA-N 437.374 4.039 5 20 IIBD Cc1c(Br)cc(C(=O)OCc2cccnc2Br)cc1[N+](=O)[O-] 805932123 CLZKPPOEEVDONB-UHFFFAOYSA-N 430.052 4.180 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)OC/C=C\c2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] 809101459 BBFJQUNKZWKWMH-IHWYPQMZSA-N 430.265 4.175 5 20 IIBD COc1ccc(-n2ccc(C(=O)OCc3csc(-c4cccc([N+](=O)[O-])c4)n3)n2)cc1 811221044 ZRVPTZWZFUXVOU-UHFFFAOYSA-N 436.449 4.270 5 20 IIBD O=C(OCCCS(=O)(=O)c1ccc(F)cc1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811373186 RXNKXAOZQRYEDT-UHFFFAOYSA-N 436.244 4.062 5 20 IIBD CC(C)(CCc1noc([C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)n1)[N+](=O)[O-] 812812018 STCBJIIASMMJNV-CQSZACIVSA-N 427.288 4.342 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Oc2ccc(-c3nc(CCC(C)(C)[N+](=O)[O-])no3)cc2)c1 812815078 XMJONQXKUHPTIG-UHFFFAOYSA-N 445.497 4.109 5 20 IIBD Cc1cc2n(n1)[C@@H](C(F)(F)F)CCN2C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 813374059 RFWVLGWXWAIBSY-QGZVFWFLSA-N 437.422 4.244 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccnc(N2CCc3ccccc3C2)c1 816841590 KCXRCWTZDPSVMT-UHFFFAOYSA-N 447.451 4.032 5 20 IIBD CN(C)c1cc(F)c(C(=O)Nc2cc(Br)ccc2-n2cccn2)cc1[N+](=O)[O-] 821673151 PMPFFOWOKWOJCD-UHFFFAOYSA-N 448.252 4.000 5 20 IIBD O=C(Cc1ccc(O)cc1)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 827160441 PWSOULSDWALWNF-UHFFFAOYSA-N 426.812 4.354 5 20 IIBD Cc1nc(Cc2ccc(F)cc2)sc1C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 915399613 SKHQSMKUTHOONC-ZDUSSCGKSA-N 443.456 4.274 5 20 IIBD C[C@H]1CCCN(c2nnc(SCc3cc(F)ccc3[N+](=O)[O-])n2Cc2ccco2)C1 915793985 FEGKZSPVLAHNKB-AWEZNQCLSA-N 431.493 4.495 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Oc2ccc(S(=O)(=O)c3ccccc3)cc2)c1 916443696 SNELRQKFMOMCPF-UHFFFAOYSA-N 429.475 4.369 5 20 IIBD CCC(=O)Nc1cccc(C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 916954092 ZDHSXVBLZHFUDY-UHFFFAOYSA-N 433.420 4.415 5 20 IIBD C[C@@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)Nc1ccccc1Br 917329480 IOZBXXSJGUZYDE-SNVBAGLBSA-N 432.230 4.023 5 20 IIBD CC(C)Oc1ccc(COC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 918533131 IOVYJEFJKIDSDU-UHFFFAOYSA-N 428.470 4.019 5 20 IIBD CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)[C@H](C)c1cc2ccccc2o1 920010069 YUFBMUCQZRPEEI-GDBMZVCRSA-N 439.443 4.443 5 20 IIBD O=C(COC(=O)C(F)(F)c1ccc(F)cc1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 920896636 XPBMOWLVBXRYFN-UHFFFAOYSA-N 436.264 4.026 5 20 IIBD Cc1cc(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)c(C)n1C[C@H]1COc2ccccc2O1 921268579 UVILGDLLTCUHRT-KRWDZBQOSA-N 440.427 4.254 5 20 IIBD C[C@@H](COc1ccccc1F)NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 1115885712 YRGVVQLNRNGRCU-HOTGVXAUSA-N 438.459 4.499 5 20 IIBD Cc1cc(NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)nn1CCCOc1ccc(F)cc1 1116434715 NKGGMMOFUIEZPR-UHFFFAOYSA-N 439.447 4.256 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(F)cc1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 1318462993 BJRMSWMOBJPVPL-UHFFFAOYSA-N 429.401 4.021 5 20 IIBD C[C@@H](OC1CCCCC1)C(=O)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 1318548427 XZEIENSESLNNSS-MJGOQNOKSA-N 432.517 4.261 5 20 IIBD Nc1c(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cc(Br)cc1[N+](=O)[O-] 1321439933 QQMLVZBSTWLIGS-LLVKDONJSA-N 445.273 4.101 5 20 IIBD COC(=O)C[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(C)cc1 1338055117 FOLLVSONXNNEGW-KRWDZBQOSA-N 425.466 4.061 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3nccc4occc34)CCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 1790185006 FJIYKCVWNOEVOT-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cc(F)cc(Cl)c1 1800525777 NNLNOJCOHJTSBK-BCDXTJNWSA-N 449.841 4.092 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)/C=C/C2CCCCC2)[nH]n1)c1ccc([N+](=O)[O-])o1 1814311787 QBNAQAZILAEPNQ-QXLXQBSBSA-N 441.488 4.353 5 20 IIBD O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC([C@@H]2CCCCN2C(=O)CCC2CCC2)CC1 1824353026 WFXJGAKYJGFRIZ-QFIPXVFZSA-N 443.544 4.114 5 20 IIBD CC(C)(C)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1826338087 NESZTRBRFMKDEC-HXUWFJFHSA-N 433.524 4.403 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CCCC2)CC1 1830729846 NYDCNPJBOCCERR-NRFANRHFSA-N 445.535 4.466 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CC2(CCCN2C(=O)c2cccc3c2oc2ccccc23)C1 1845735235 KZAURFAQBJRHFM-UHFFFAOYSA-N 445.431 4.218 5 20 IIBD COc1cc(C(=O)N2CC3(CCCN3C(=O)CCCCCC(C)(C)C)C2)ccc1[N+](=O)[O-] 1846087613 SHYQQJUITQXZDV-UHFFFAOYSA-N 445.560 4.417 5 20 IIBD Cc1cc(C(=O)COC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c(C)n1Cc1ccco1 9867928 CBFHOMXWCYEZEI-UHFFFAOYSA-N 437.452 4.268 5 20 IIBD C[C@H](Sc1nncn1CCc1cccs1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 11107217 RERUTAPKHYODBV-LBPRGKRZSA-N 428.499 4.394 5 20 IIBD CCNc1nc(SCC(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])nc2ccccc12 16397281 KPTLOMDKLKZWMW-UHFFFAOYSA-N 427.486 4.099 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1OC 18969335 ZSDUYECZDWASGQ-AWEZNQCLSA-N 444.484 4.484 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2ccccc2SC(F)F)c1 21550572 QBMFGAMAJCJBFT-UHFFFAOYSA-N 428.438 4.427 5 20 IIBD COc1ccc(CN(C(=O)Cn2nc(C)c([N+](=O)[O-])c2C)[C@H](C)Cc2cccs2)cc1 27203312 MYNCOIAXZDJVAT-OAHLLOKOSA-N 442.541 4.138 5 20 IIBD Cc1ccc(NC(=O)[C@@H](Sc2nnnn2CC(C)C)c2ccccc2)c([N+](=O)[O-])c1 29593708 LOXFVGWGSKBGNT-SFHVURJKSA-N 426.502 4.018 5 20 IIBD O=C(NC1CC1)c1cc(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)nc2ccccc12 31849129 HFWHOFFPBJHCBJ-UHFFFAOYSA-N 447.476 4.378 5 20 IIBD CCOc1ccc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 32516299 NCKXOKCLZPARQR-UHFFFAOYSA-N 426.256 4.011 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1Oc1ccc(Cl)cc1 63204178 XISBCMJYRQJREX-UHFFFAOYSA-N 425.828 4.295 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 109250843 TWPNDIXAENWNSK-KRWDZBQOSA-N 447.495 4.356 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCc2cc(Br)ccc21 109270204 GBDHDDAMKKRQFL-UHFFFAOYSA-N 427.258 4.136 5 20 IIBD CCN(C(=O)c1cc(SC)ccc1[N+](=O)[O-])c1ccc(S(=O)(=O)C(F)(F)F)cc1 116548796 DCOGRODVEPCQEQ-UHFFFAOYSA-N 448.444 4.277 5 20 IIBD COc1cc(CCNC(=O)C[C@@H](C)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])cc1OC 195647063 KZOYHGNFEPDBBP-CYBMUJFWSA-N 440.418 4.483 5 20 IIBD O=C(Nc1nc(-c2cccc(F)c2)cs1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303416928 BPAPRSDWHGACGZ-AWEZNQCLSA-N 446.485 4.162 5 20 IIBD CN(c1ccccc1)C1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 426270995 KGATXMVQAIRERU-UHFFFAOYSA-N 436.434 4.424 5 20 IIBD O=C(O)[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1ccc(-c2c(F)cccc2F)o1 426735755 VBCROCVZZZPBLR-IBGZPJMESA-N 441.390 4.400 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 426844819 GBWKNFATKAXEBC-NRFANRHFSA-N 425.876 4.007 5 20 IIBD COc1ccc(NC(=O)C2(NC/C=C\c3ccccc3[N+](=O)[O-])CCCC2)cc1OC 428375830 CZUFLXJLJCZGJB-CLFYSBASSA-N 425.485 4.166 5 20 IIBD CCOc1ccc([C@H](C)NC[C@H](CO)Cc2cccc(Br)c2)cc1[N+](=O)[O-] 429451719 YAZHLRXYBJJCSG-GOEBONIOSA-N 437.334 4.258 5 20 IIBD CC[C@@H](C)[C@@H](C)N(C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)C1CC1 430358100 NROYPVYTPLHPAF-ZYHUDNBSSA-N 426.311 4.030 5 20 IIBD Cc1cc(Br)ccc1NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 438653811 FYXBAAHJNNVSLM-UHFFFAOYSA-N 434.290 4.041 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1cnccc1-c1cccc(F)c1 438669675 SWFZGMDDAHGMMO-UHFFFAOYSA-N 436.443 4.172 5 20 IIBD Cc1ccc([C@H]2CCCCCN2C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)o1 440965072 GMKIBELUISSBHL-OAHLLOKOSA-N 437.399 4.180 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(CSC2CCCC2)c1 441037872 TZTCPYWLCMVQRR-UHFFFAOYSA-N 429.498 4.356 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ncnc3c2c(C)c(C)n3C[C@@H]2CCCO2)c1 445958653 DSEBMFTVOPZVCI-AWEZNQCLSA-N 441.513 4.110 5 20 IIBD Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)ncc1Br 446221838 JPKSHFYOLONPDS-UHFFFAOYSA-N 429.068 4.004 5 20 IIBD COc1cc(OCC(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)ccc1[N+](=O)[O-] 461184513 FROWIBMRIFYKMF-UHFFFAOYSA-N 438.402 4.239 5 20 IIBD C[C@H](Nc1ccc(C(=O)N(C)c2nc3ccccc3n2C)cc1[N+](=O)[O-])c1ccccn1 461295660 XTXZBGKPAUXRAS-HNNXBMFYSA-N 430.468 4.326 5 20 IIBD O=C(Nc1cccc(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c1)c1ccc(F)cc1 461396064 KIOVYCHSGRBFCP-UHFFFAOYSA-N 435.411 4.021 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCc4c(Cl)cccc4C3)n2C[C@H]2CCOC2)c1 461541824 SEGDSNYIMDYROS-OAHLLOKOSA-N 439.903 4.106 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O 462503289 RNBISAGMSPBIKD-JXFKEZNVSA-N 429.904 4.081 5 20 IIBD O=[N+]([O-])c1ccc(NC[C@H](c2cccc(Cl)c2)N2CCOCC2)cc1OC(F)F 462814998 WGTYDUFDDUODEK-QGZVFWFLSA-N 427.835 4.335 5 20 IIBD COC[C@@H]1CCCCN(c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])C1 466638121 WHUYKCVVPWOZAT-GOSISDBHSA-N 447.557 4.265 5 20 IIBD CC(C)n1c([C@H]2CCCN2C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)nc2ccccc21 467494026 IOEKGNBHIQPMRN-IIBYNOLFSA-N 449.511 4.007 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1cc2ccccc2o1 468266444 ODJUKDUSQUEGRC-ZDUSSCGKSA-N 428.466 4.487 5 20 IIBD CN1C(=O)CC[C@@H](C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@H]1c1ccc(C(F)(F)F)cc1 470698555 ZCVMZICTPACSIU-SJLPKXTDSA-N 439.365 4.301 5 20 IIBD CC1(O)CCN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)CC1 470804323 SOWSBUBBLMUIGN-UHFFFAOYSA-N 429.523 4.343 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)n2)cc1F 472561972 MAHYZHMYWFGZFL-GFCCVEGCSA-N 425.420 4.158 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)NC[C@@H]1CC[C@H](O)C1 473813228 RSJHWWRBKJEEBS-DOMZBBRYSA-N 437.855 4.140 5 20 IIBD CCn1cc(CN(CCO)Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cn1 475507790 AIHNAFHORNMCLA-UHFFFAOYSA-N 430.892 4.251 5 20 IIBD CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 476400731 CRFVCIVRCTUPJP-UHFFFAOYSA-N 438.509 4.082 5 20 IIBD CCCCCn1c(SCc2c([N+](=O)[O-])ncn2C)nc2sc3c(c2c1=O)CCC3 476488308 UNDBVLZODFYQRI-UHFFFAOYSA-N 433.559 4.071 5 20 IIBD CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 477874978 HSGFTLZWRJHBMK-UHFFFAOYSA-N 440.283 4.319 5 20 IIBD COC(=O)c1cnc(N2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)c([N+](=O)[O-])c1 478255300 JDNSLJYZOBTULE-UHFFFAOYSA-N 425.485 4.074 5 20 IIBD O=[N+]([O-])c1ccccc1OCCN[C@@H](CO)c1ccc(Br)cc1C(F)(F)F 483272360 QNCASMWLRZLTEK-AWEZNQCLSA-N 449.223 4.078 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@@H]2CC[C@@H](c3ccccc3)C[C@H]2OC)c(C)c([N+](=O)[O-])c1 483534949 UJVULQIYCZBTBH-HGHGUNKESA-N 441.484 4.163 5 20 IIBD COc1cc(C(=O)N2CCN(C3CC3)c3c(C)cccc32)c([N+](=O)[O-])cc1OC(F)F 484432117 MHPJCUVOZWNNKO-UHFFFAOYSA-N 433.411 4.142 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(CNc2ccc([N+](=O)[O-])cc2Br)s1 484833668 HEIJYYTWXWMXII-UHFFFAOYSA-N 448.364 4.061 5 20 IIBD C[C@H](C(=O)Nc1ccc(Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)cc1)n1cncn1 485400413 DEVBSAFEOXFUQV-CQSZACIVSA-N 447.430 4.331 5 20 IIBD O=C(NCc1cccc(CN2CCOCC2)c1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 486642872 YYCZUZCGBWQXOJ-UHFFFAOYSA-N 447.491 4.149 5 20 IIBD COCCSc1ccc([C@H](C)NC(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)cc1 486875097 QGLHSBDKNMCUEW-AWEZNQCLSA-N 447.513 4.311 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccnn3Cc3ccc(F)cc3)cc2)c(C)c1[N+](=O)[O-] 486892061 WMFFHUCXTHIRLC-UHFFFAOYSA-N 448.458 4.093 5 20 IIBD CC1(C)CC[C@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c2ccccc21 486971169 KHLIOYGXCDUGHG-HNNXBMFYSA-N 433.411 4.064 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(NCc3ccc(N4CCc5ccccc5C4)nc3)n2)cc1 486976021 ZJLSOCHYPDAGDW-UHFFFAOYSA-N 428.452 4.215 5 20 IIBD Cc1ccc([C@H](C)NC(=O)Cc2csc(NC(=O)c3ccccc3F)n2)cc1[N+](=O)[O-] 488093557 PGBXAFXZNHESSD-ZDUSSCGKSA-N 442.472 4.171 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NC[C@H](Cc1ccccc1)c1ccccc1 488265252 MQUYCMYAIFAAFE-NRFANRHFSA-N 432.476 4.051 5 20 IIBD C[C@H]1C[C@@H](O)CCN1C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 489151195 PILNMQOMKIYZBP-WFASDCNBSA-N 437.855 4.234 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)cn2)cc1 493952908 OYAFSRLRYZLLKA-INIZCTEOSA-N 434.452 4.215 5 20 IIBD COc1cc(CCNC(=O)c2cc3ccc(C(C)(C)C)cc3[nH]2)c([N+](=O)[O-])cc1OC 502636245 SECMZLFPAAPOLU-UHFFFAOYSA-N 425.485 4.363 5 20 IIBD Cc1cc(NC(=O)Cc2ccc(OCc3ccccn3)cc2)n(-c2ccc([N+](=O)[O-])cc2)n1 502998007 GQBFYJSMHCWOOF-UHFFFAOYSA-N 443.463 4.244 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1ccc(-n2cnc3ccccc32)cc1 503432985 XLPHSUVSOQLZFU-UHFFFAOYSA-N 428.857 4.388 5 20 IIBD C[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccncc2)cc1 504232957 QSMLDOGSWFIIHU-HNNXBMFYSA-N 436.493 4.212 5 20 IIBD CC(C)N1CCN(c2cccc(N[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c2)CC1 504414870 FUHCBZPKNVJLEV-INIZCTEOSA-N 445.951 4.218 5 20 IIBD NC(=O)c1ccc(NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)c([N+](=O)[O-])c1 505640879 SYJPUGGWFAUXIU-UHFFFAOYSA-N 427.464 4.218 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(CCc2ccccc2)Cc2ccncc2)c1C 508130942 CZADMNFCPXFFOF-UHFFFAOYSA-N 425.510 4.040 5 20 IIBD CCOC(=O)c1cc(C(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)cc([N+](=O)[O-])c1 509309388 GAHTYWLHNAUMLN-INIZCTEOSA-N 428.338 4.334 5 20 IIBD O=C(Nc1ccc2ncsc2c1)c1ccc([N+](=O)[O-])cc1I 510806377 JJEAQSNJYFLSMS-UHFFFAOYSA-N 425.207 4.061 5 20 IIBD COc1ccc(CNC2CCN(CC3CC3)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 513109766 FMYWXJVFXZTLAC-UHFFFAOYSA-N 425.529 4.146 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1nc(-c2cccc(Cl)c2)no1 513211854 CJVUIPGSPDMHLO-LBPRGKRZSA-N 432.889 4.138 5 20 IIBD Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 513718287 KRDHGNLZRAUCRL-HNNXBMFYSA-N 445.566 4.212 5 20 IIBD C[C@@H](c1cccnc1)N1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 514151954 PYEKFMVONXVYRU-SFHVURJKSA-N 431.496 4.252 5 20 IIBD C[C@@H](Sc1nnc(COc2ccc(Cl)cc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 514295419 KMXVJQHDDQGJKQ-LLVKDONJSA-N 434.861 4.330 5 20 IIBD COCCN(C(=O)c1cc(C)n(C(C)(C)C)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 515436124 LCZSXMPOXARSBG-UHFFFAOYSA-N 443.529 4.271 5 20 IIBD COc1ccc(Cl)cc1C1(CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCOCC1 516756174 CZSUOEVROAFLRE-UHFFFAOYSA-N 433.892 4.435 5 20 IIBD O=[N+]([O-])c1cc2c(c(-c3nc(-c4ccc(COCC(F)(F)F)cc4)no3)c1)OCCO2 517725085 JJLZLUBMMMGTTP-UHFFFAOYSA-N 437.330 4.162 5 20 IIBD COc1cc(C(=O)N[C@@H]2CCC[C@@H](SC)C2)c([N+](=O)[O-])cc1OCc1cscn1 522667152 UHSCOWDMKBCIHI-TZMCWYRMSA-N 437.543 4.043 5 20 IIBD Cc1c(NC(=O)NCc2ccccc2NS(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] 524196906 AGWSEEQRRCYIEJ-UHFFFAOYSA-N 440.481 4.026 5 20 IIBD COc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)s2)cc1 524323832 WDHRYYRRNVTFMG-NSHDSACASA-N 441.465 4.255 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cccc3c2CN(CCC(C)C)C3)cc([N+](=O)[O-])c1 524375559 QNGBAFZOXGLKKO-UHFFFAOYSA-N 425.485 4.386 5 20 IIBD O=C(N[C@H](Cc1ccccc1)c1ccccc1F)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 525363356 LBCMGNOTMXFFAP-HXUWFJFHSA-N 431.427 4.028 5 20 IIBD O=C(c1cc2occc2s1)N1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 531093890 YDLUHJODZIXNPG-UHFFFAOYSA-N 425.388 4.384 5 20 IIBD COc1cc(CNCC(=O)N(C)C2CCCCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 532302443 NQSMNVWYPHVEHA-UHFFFAOYSA-N 441.528 4.063 5 20 IIBD Cc1ccc(-c2csc3ncn(CCC(=O)N(C)c4cccc([N+](=O)[O-])c4)c(=O)c23)cc1 533146928 DPYPTNSDDJOAQY-UHFFFAOYSA-N 448.504 4.395 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(OCCc2ccccc2)CC1 533434564 SJHVDLFOHQWCSS-MRXNPFEDSA-N 431.920 4.299 5 20 IIBD COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 533622442 LQDUSNVOPXWADE-UHFFFAOYSA-N 449.467 4.072 5 20 IIBD Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 533744704 BAJVLFOHIVCETJ-KRWDZBQOSA-N 442.903 4.366 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CSCc3ccc(S(=O)(=O)N4CCCC4)o3)co2)cc1 534058036 JHTIIRMTUDUEDL-UHFFFAOYSA-N 449.510 4.061 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 534274617 JJDPHJYSFKSTBR-IBGZPJMESA-N 440.525 4.495 5 20 IIBD Cc1ccc2nc([C@H]3CCCN(C(=O)COc4ccc([N+](=O)[O-])c5cccnc45)C3)[nH]c2c1 534937858 BTMVBVVMHOQUHJ-INIZCTEOSA-N 445.479 4.113 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2CC=C(C(F)(F)F)CC2)c([N+](=O)[O-])c1 535986795 CGYVFZIJQKOQRS-UHFFFAOYSA-N 434.370 4.311 5 20 IIBD O=C1NCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@H]1c1ccc(C(F)(F)F)cc1 536279971 GRTUTGOSWJUXLW-KRWDZBQOSA-N 449.410 4.142 5 20 IIBD O=C(NCc1ccc(Br)c(F)c1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 537221701 ZJAPVKFFVATJPM-UHFFFAOYSA-N 430.233 4.488 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)c1 538416065 SAWURVMVLFLNCV-LJQANCHMSA-N 449.301 4.035 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 539298869 VIRDHRDWYNIHEL-HXUWFJFHSA-N 447.532 4.038 5 20 IIBD CCOc1cccc([C@H]2C[C@@H]2NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c1 540537608 FDDAULJGLUQPFX-YADHBBJMSA-N 434.496 4.141 5 20 IIBD CCCOc1c(Br)cc(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1OC 542000624 VPXBNQORGNERNT-UHFFFAOYSA-N 439.262 4.416 5 20 IIBD O=C(Nc1ccccc1)NC1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 542324811 IWGNMRQZOOIBQV-UHFFFAOYSA-N 448.932 4.153 5 20 IIBD COc1cccc([C@@H]2C[C@H](C)CN2C(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)c1 543368385 LKWSAEQTIQNWBD-KXBFYZLASA-N 430.526 4.455 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(N3CCOCC3)[nH]c2c1 543634377 XSJXIMFFEYBZNG-UHFFFAOYSA-N 441.513 4.061 5 20 IIBD CC(C)(C(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1F 545123815 GYVCDNKQPKNARE-UHFFFAOYSA-N 431.439 4.028 5 20 IIBD Cc1ccc(C(=O)N2CCC[C@H](c3nc(Cc4c[nH]c5ccc([N+](=O)[O-])cc45)no3)C2)cc1 545784930 JJHXRWLFNDUICB-KRWDZBQOSA-N 445.479 4.378 5 20 IIBD Cn1ccc([C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2)n1 546567767 KACSDVWIOVVRIU-OAQYLSRUSA-N 441.919 4.393 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])N1CC=C(c2cccc(Br)c2)CC1 546587884 VORYXSOLJBBQRK-UHFFFAOYSA-N 431.286 4.442 5 20 IIBD Cc1cc(N2C[C@H](c3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC2=O)ccc1Br 546967530 FILRCACOVMUEGQ-CYBMUJFWSA-N 443.257 4.236 5 20 IIBD C[C@@]1(c2cc3ccccc3o2)NC(=O)N(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1=O 549341966 LMKZRHXXJNKZON-IBGZPJMESA-N 433.342 4.327 5 20 IIBD COc1cc(CNc2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])ccc1OCC(=O)N(C)C 549465780 PTMLBYQPOLYPBS-UHFFFAOYSA-N 441.406 4.010 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1coc(-c2ccc(Br)cc2F)n1 552272639 WAQBMWSITHGVJD-UHFFFAOYSA-N 448.248 4.466 5 20 IIBD COC(=O)c1cc(F)c(Br)cc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F 554765102 MDCLRQBVZVKSOM-QMMMGPOBSA-N 443.200 4.164 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)NCCCc2c[nH]c3ccc(F)cc23)cc1[N+](=O)[O-] 556527198 VJOGYQNWAOXYGH-UHFFFAOYSA-N 440.475 4.200 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC1(c2ccc(Cl)cc2)CCC1 560155587 PZLYRKJPGSLPMZ-UHFFFAOYSA-N 429.860 4.132 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1CCC[C@@H]1c1ncon1 564360830 GRCCZGIPLZOGPP-MSOLQXFVSA-N 427.848 4.148 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC(CC(=O)N3CCCC3)CC2)cc1OC 565679520 UMSBLFIIRWEUER-SFHVURJKSA-N 447.576 4.253 5 20 IIBD CC(C)c1nc(C2CCN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)no1 566015613 DGZXSEKKSNPNSU-UHFFFAOYSA-N 427.486 4.245 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](CC(C)C)c1cc(Cl)ccc1OC 570731469 VXNGFDLZPUMANG-INIZCTEOSA-N 449.891 4.108 5 20 IIBD COc1cc(Cc2noc([C@@H](C)Oc3ccc(SC)cc3)n2)c([N+](=O)[O-])c(OC)c1 571847523 AATFJJCVIWSWPG-GFCCVEGCSA-N 431.470 4.448 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1Sc1nnc(COc2ccccc2)n1Cc1ccco1 572982712 MLFJZZCQTIAXFY-UHFFFAOYSA-N 440.485 4.083 5 20 IIBD Cc1c(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])cccc1-n1cnnn1 580548528 JNONADZXZVQEJE-UHFFFAOYSA-N 432.465 4.282 5 20 IIBD CCN(CC(=O)N1CCCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 581841828 FKTXYCILMUXKMH-UHFFFAOYSA-N 438.528 4.072 5 20 IIBD Cc1ccc(C)c(-c2nn(C[C@H](O)COc3cccc([N+](=O)[O-])c3)c(=O)c3ccccc23)c1 602282886 OQJYBWGRXHBCPK-IBGZPJMESA-N 445.475 4.028 5 20 IIBD O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 603853968 NFIDQLODKRJCKH-UHFFFAOYSA-N 431.279 4.412 5 20 IIBD CCOc1ccc(C(=O)NCc2cccc(NC(=O)c3ccc(C)cc3)c2)cc1[N+](=O)[O-] 604001192 KUPIEJNCKZSHBK-UHFFFAOYSA-N 433.464 4.484 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1 604446316 XAJISMDPRXIUKU-HNNXBMFYSA-N 442.903 4.497 5 20 IIBD Cc1c(Cl)cc(NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1Cl 604461955 ZOTUMSZVTCELAX-UHFFFAOYSA-N 443.312 4.261 5 20 IIBD Cc1ccc(Cc2nnc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])s2)cc1 609381725 QIWGRCPDKSOQPR-GFCCVEGCSA-N 432.889 4.405 5 20 IIBD CCS(=O)(=O)Nc1ccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1C 609772973 QMMUOMHFWSIIQE-UHFFFAOYSA-N 434.518 4.107 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1SCC(F)F 609908659 JNQYFRHVXGTGRY-UHFFFAOYSA-N 443.859 4.364 5 20 IIBD Cc1nn(C)cc1[C@@H]1CCCN1C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 610729803 RMQQHJWXKFTONQ-KRWDZBQOSA-N 449.298 4.107 5 20 IIBD Cn1ccnc1[C@H](NCCCc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 611560665 PBWOBQLODLSRGW-LJQANCHMSA-N 429.318 4.403 5 20 IIBD COc1cc(C(=O)NC2(C)CCC(F)(F)CC2)c([N+](=O)[O-])cc1OCc1cscn1 612064812 XEALAEVTMCTVLQ-UHFFFAOYSA-N 441.456 4.337 5 20 IIBD COc1ccc2c(c1)CC[C@H](NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 612084529 IDFLSSJJRXOSBV-HNNXBMFYSA-N 440.443 4.388 5 20 IIBD CN1CCC(n2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3SC3CCCC3)n2)CC1 618779757 BDFJOXUXIWSHNL-UHFFFAOYSA-N 429.546 4.345 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(F)cc1Nc1ccccc1F 619467906 MGLLHESKGPAATP-UHFFFAOYSA-N 435.408 4.426 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)c2cc(Br)ccc2n1 725975751 CSEDCLDHZGHKRM-UHFFFAOYSA-N 444.241 4.009 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccnn2Cc2cccc3ccccc23)ccc1Cl 727247331 XFHLCMNCDANGHN-UHFFFAOYSA-N 442.884 4.447 5 20 IIBD O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)Nc1cccc(CC[C@H](O)c2ccccc2)c1 727362713 RDYXQALFZCIYHU-FQEVSTJZSA-N 430.457 4.201 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCN(c2c([N+](=O)[O-])cnc3ccc(Br)cc23)C1 730109578 SXELQLDYSFUNHA-LBPRGKRZSA-N 437.294 4.009 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NC[C@H]1CCN(c2ccc(Cl)cc2)C1 731992877 TVFNBDUNTQYSKG-GFCCVEGCSA-N 445.875 4.183 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 734790036 XYXXXHAIHIFRLF-KAMYIIQDSA-N 436.489 4.362 5 20 IIBD COc1cccc(COC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1OC(F)F 735014848 JAGLAZUYPACDBD-UHFFFAOYSA-N 432.173 4.324 5 20 IIBD C[C@@H](NC(=O)COC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 735150285 PMBYUGPLADLWPF-GFCCVEGCSA-N 441.267 4.091 5 20 IIBD CCc1cc2c(COC(=O)c3ccc([N+](=O)[O-])cc3Br)cc(=O)oc2cc1O 740422913 SXBSMZXFLCKAOZ-UHFFFAOYSA-N 448.225 4.089 5 20 IIBD C[C@H]1CCC[C@@H](C)CN1C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 741609846 JABGLZXSKVDKJT-CVEARBPZSA-N 432.498 4.013 5 20 IIBD COc1ccccc1[C@@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)N1CCCCC1 742395053 DVYWWTVQXXQFMG-OAQYLSRUSA-N 440.500 4.199 5 20 IIBD COc1cc([C@@H]2NC(=O)c3cc(Cl)ccc3N2)c([N+](=O)[O-])cc1OCC(F)(F)F 742671877 UFPIGMBHFUIISO-HNNXBMFYSA-N 431.754 4.052 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)N1C(=O)OC(C)(C)C 742672722 QRGLODGFWWRFDI-RYUDHWBXSA-N 431.411 4.084 5 20 IIBD Cc1ccc(F)cc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 744554262 OCGIUXQJMUGUCH-OAHLLOKOSA-N 429.448 4.217 5 20 IIBD COc1cc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])c(OC)cc1NC(=O)c1ccccc1 745371124 DGPHTTQBZMNACH-UHFFFAOYSA-N 439.399 4.256 5 20 IIBD Cc1cc(=O)oc2cc(OCCOC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc12 745568658 QDJFLUNBMJWZDB-UHFFFAOYSA-N 437.326 4.264 5 20 IIBD O=C(COC(=O)c1cc(Oc2ccccc2)ccn1)Nc1ccc(Cl)cc1[N+](=O)[O-] 745763266 HBTFDTZQVGPQEW-UHFFFAOYSA-N 427.800 4.231 5 20 IIBD CN(Cc1ccn(-c2ccccc2)n1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 750841809 PWWOIPQOHUYJLT-UHFFFAOYSA-N 449.692 4.469 5 20 IIBD C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1I 751355144 KAEWTOMXIAWPHV-DOMZBBRYSA-N 436.249 4.218 5 20 IIBD C[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H](O)c1c(F)cccc1Cl 752646296 XMGXMEANQWDKDO-VXJOIVPMSA-N 433.770 4.232 5 20 IIBD COC[C@H](N[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1ccco1 754332909 JSSWJCXAPJDFFK-PXNSSMCTSA-N 429.860 4.498 5 20 IIBD C[C@H](OC(=O)c1cncc(-c2ccccc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 758104043 GDVKHRGLTRXEQE-ZDUSSCGKSA-N 425.828 4.494 5 20 IIBD O=C(Nc1nc(CN2CCCCCC2)cs1)c1cccc([N+](=O)[O-])c1Br 760792771 GABOKCCARUNZDC-UHFFFAOYSA-N 439.335 4.442 5 20 IIBD CCS[C@@H](C)c1noc(-c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)n1 762333893 OXWRMKCCNFDOCW-LBPRGKRZSA-N 435.483 4.227 5 20 IIBD O=C(N[C@@H]1CC[C@@H]2SCCS[C@H]21)c1cc(Br)cc([N+](=O)[O-])c1Cl 763180601 GRBRADDLFHXGPI-CDMKHQONSA-N 437.768 4.120 5 20 IIBD COc1ccc(OC)c([C@H](O)CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)c1 763774594 DOVJCBQFXUKQHV-LJQANCHMSA-N 446.525 4.110 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1ccnn1CC1CC1 763797859 GJFPMRNLYHVSTA-UHFFFAOYSA-N 442.479 4.235 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 764196668 BZVIIECVVJNCBQ-UHFFFAOYSA-N 442.686 4.153 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(C(F)(F)F)nc1Cl 766126060 MIUHUTCDMVIILT-UHFFFAOYSA-N 428.710 4.069 5 20 IIBD O=C(COC(=O)/C=C/SCc1ccco1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 767383968 HXZFXFFGDQQDLZ-FNORWQNLSA-N 430.360 4.135 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1SCCS1 768580728 YIMZNSQEBDDISM-HNNXBMFYSA-N 438.914 4.277 5 20 IIBD CCCN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1CCN(C(=O)OC(C)(C)C)CC1 768950453 BHYYWQUENMWEKY-UHFFFAOYSA-N 436.509 4.247 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Oc1cccc(NC(=O)c2ccco2)c1 769900482 SVXHFTMTJSAGHT-UHFFFAOYSA-N 436.829 4.170 5 20 IIBD COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 772459840 JOMLUCBPZQDCBX-ZHRRBRCNSA-N 427.501 4.100 5 20 IIBD CCc1ccc2c(COC(=O)c3sc(Br)cc3[N+](=O)[O-])cc(=O)oc2c1 773603969 OOZJUSJOIXTXPY-UHFFFAOYSA-N 438.255 4.445 5 20 IIBD O=C(NCC(F)(F)F)c1ccc(NCc2ccc(Br)c([N+](=O)[O-])c2)cc1 775181251 RFCOHDDGDPXOKN-UHFFFAOYSA-N 432.196 4.262 5 20 IIBD COc1ccc(SC)c(OC)c1C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 775957938 CHASWKWPRVYQAM-LLVKDONJSA-N 445.453 4.302 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(OS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)c1 777983231 LWBFERGVNHGVPF-LLVKDONJSA-N 448.280 4.085 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)C1(c2ccccc2Cl)CCOCC1 778787560 NFTLOCLKIKBVTB-GOSISDBHSA-N 430.888 4.119 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCc2sccc2[C@@H]1c1cccs1 779532131 YSIOWWFSZBOLLM-QGZVFWFLSA-N 447.925 4.484 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 779569066 CDGJTRTYNXIHFY-FLSMSTFGSA-N 432.480 4.011 5 20 IIBD CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1 781268983 UIWNVUCEIQLXEK-OAHLLOKOSA-N 428.444 4.068 5 20 IIBD O=C(NOCc1ccc(F)cc1Br)c1ccc(Br)cc1[N+](=O)[O-] 781884137 RCULFYSKZOTBRB-UHFFFAOYSA-N 448.042 4.121 5 20 IIBD C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 782377527 VBZNFGDZQIGWEI-LLVKDONJSA-N 437.330 4.174 5 20 IIBD C[C@@H](OC(=O)C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1)c1ccccc1[N+](=O)[O-] 782859401 CAGYAXCYWQMJGB-IERDGZPVSA-N 434.448 4.466 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 783297992 GLIPPGOLWZPXGI-CYBMUJFWSA-N 426.281 4.193 5 20 IIBD CC[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1OC(F)F 783298144 RQYNOLYPLFMXPR-ZDUSSCGKSA-N 427.791 4.056 5 20 IIBD CC(C)c1ccc(C(=O)OCC(=O)N[C@@H](c2ccccc2)c2nccs2)cc1[N+](=O)[O-] 784258017 QPSAWOVXLVSEOU-FQEVSTJZSA-N 439.493 4.237 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 784527210 KLBUKCSLZBULBW-HNNXBMFYSA-N 437.374 4.471 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1OC(F)F 785659072 FQIUWDVXCURHDT-UHFFFAOYSA-N 435.261 4.053 5 20 IIBD COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 788189332 HPKMXWAXIXSHQM-PUECVXPYSA-N 439.424 4.070 5 20 IIBD Cc1cnc(COC(=O)c2ccccc2OCc2cn3ccccc3n2)c(C)c1[N+](=O)[O-] 789443581 PFBXPGZUYSQMPM-UHFFFAOYSA-N 432.436 4.190 5 20 IIBD CCOc1cc(NC(=O)c2cnc(Br)c(Cl)c2)c([N+](=O)[O-])cc1OCC 790169394 OLUHQPUKPHDBLI-UHFFFAOYSA-N 444.669 4.455 5 20 IIBD CCN(Cc1cccc(F)c1)C(=O)COc1cc(F)c(Br)cc1[N+](=O)[O-] 790295837 LPMHFFCHHGBBOT-UHFFFAOYSA-N 429.217 4.063 5 20 IIBD Cc1c(CNC(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)cccc1[N+](=O)[O-] 791019300 XOUJXHDAUYOLTD-OXJNMPFZSA-N 427.501 4.422 5 20 IIBD O=C(Nc1ccccc1C(=O)NCC(F)(F)C(F)F)c1ccc([N+](=O)[O-])cc1Cl 791405848 UAVOMYJOGKEARL-UHFFFAOYSA-N 433.745 4.131 5 20 IIBD CC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1 792474456 UYOUPXIMFZDILO-LLVKDONJSA-N 449.257 4.052 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N[C@@H]1CCOc2c1ccc(Cl)c2Cl 792691457 MTGGHTCFWYFFHO-CQSZACIVSA-N 440.239 4.382 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2c(-c3ccccc3C)noc2C)c([N+](=O)[O-])c1 796216229 OFCPWYOWFOUYOV-AWEZNQCLSA-N 439.424 4.059 5 20 IIBD O=C(NCCCNc1ncnc2ccc([N+](=O)[O-])cc12)c1ccc(SC(F)F)cc1 798134376 YZCJRZCLZKBGEN-UHFFFAOYSA-N 433.440 4.085 5 20 IIBD CCn1c(SCC(=O)Nc2c(F)ccc([N+](=O)[O-])c2C)nnc1-c1cccc(C)c1 800144519 VILUXTSGFDDTRZ-UHFFFAOYSA-N 429.477 4.360 5 20 IIBD COc1cccc(CN(C)Cn2nc(C)c([N+](=O)[O-])c2C)c1OCc1ccccc1F 800866352 YUHBELOFKAIMDT-UHFFFAOYSA-N 428.464 4.224 5 20 IIBD COc1ccc(CN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)[C@H](C)C2CC2)c(OC)c1 801062845 VKMUWERWSNDXEL-CQSZACIVSA-N 443.456 4.270 5 20 IIBD CN(CCCN(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)Cc1ccco1 804869380 ZKXRKPSZBTXJNW-UHFFFAOYSA-N 444.713 4.198 5 20 IIBD O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1csc(-c2cccc([N+](=O)[O-])c2)n1 808478875 CHYYMNVFEDUNBL-UHFFFAOYSA-N 437.437 4.080 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCC(c2noc3cc(F)ccc23)CC1 811603676 HWCSUTJNLAQYER-UHFFFAOYSA-N 442.403 4.122 5 20 IIBD COc1ccc([C@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c(C)c1OC 813747490 ZFNSQWQVSYOUPG-JTQLQIEISA-N 441.253 4.313 5 20 IIBD Cc1cccc(NC(=O)[C@H](OC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C(C)C)c1C 814482921 FRUZSBSJZUPJIB-HXUWFJFHSA-N 431.464 4.237 5 20 IIBD C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] 815036197 SMVJDQMMGHAGNV-QFYYESIMSA-N 449.287 4.191 5 20 IIBD O=C(Nc1nc2ccc(Cl)nc2s1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 816430567 YPFNUVKITSSHHN-UHFFFAOYSA-N 432.767 4.446 5 20 IIBD CC1(C)CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@H](c2cccc(C(F)(F)F)c2)O1 817718648 QZDFWPJIBIAQEA-QGZVFWFLSA-N 441.381 4.327 5 20 IIBD CCCCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2nc[nH]n2)cc1 825256133 YUZWQIZEFZJSBM-UHFFFAOYSA-N 441.469 4.073 5 20 IIBD O=C(Oc1ccccc1C(=O)N1CCOCC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 843768368 VTQXXTOBNMOGEV-UHFFFAOYSA-N 447.447 4.030 5 20 IIBD CC(=O)c1cccc(NC(=O)[C@@H](OC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C(C)C)c1 877872485 GEDQSYSPPXLJSE-YWZLYKJASA-N 444.509 4.485 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C(=O)N2CCc3ccccc3C2)C(C)C)c1 878280794 ADFMBFJSYSQIKU-FQEVSTJZSA-N 428.510 4.083 5 20 IIBD Cc1nn(C)c2nc(C3CC3)cc(C(=O)O[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c12 899574797 AUOCWNGOCLEQCR-GFCCVEGCSA-N 448.439 4.030 5 20 IIBD C[C@H](OC(=O)Cc1ccc(-n2cccc2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 914976944 XAOZUEWFHWFZAL-AWEZNQCLSA-N 427.844 4.152 5 20 IIBD COc1ccc(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1NC(=O)OC(C)(C)C 915224294 LXBJPZZRHAWYCC-CYBMUJFWSA-N 430.461 4.390 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)NC(=O)[C@H](C)Sc2ccccc2Cl)cc1[N+](=O)[O-] 916796692 KZEYFXNBRJANKT-JTQLQIEISA-N 449.337 4.196 5 20 IIBD Cc1c(C(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 917756838 QOQGGSPBBLBWGK-OAHLLOKOSA-N 436.424 4.276 5 20 IIBD C[C@@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 917875150 OONIZKWSBHMWDQ-NSHDSACASA-N 439.287 4.485 5 20 IIBD C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)c1cccc([N+](=O)[O-])c1 918135430 GZBNNAWSPGUVIQ-FDDCHVKYSA-N 447.491 4.310 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@H](C)c1ccc(F)c(F)c1 918764511 HXBQLXBTHOTSLB-KZULUSFZSA-N 438.452 4.029 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 918874626 GLEYWWUPNVYWBL-OLZOCXBDSA-N 438.452 4.116 5 20 IIBD O=C(OCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 919087861 AKACDLXDHKWVJF-SFHVURJKSA-N 437.279 4.292 5 20 IIBD O=C(COC(=O)C1(Sc2ccccc2)CC1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1116356562 ODNPIPPDUYAISG-UHFFFAOYSA-N 440.399 4.420 5 20 IIBD O=[N+]([O-])c1ccc(N2CCOCC2)c(-c2nnc(-c3ccc(F)cc3Br)o2)c1 1257918188 NFXKUSODCZUXNW-UHFFFAOYSA-N 449.236 4.050 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(Nc2ccccc2Cl)CC1 1319370834 LFUWSOPUZAEVQF-UHFFFAOYSA-N 432.908 4.162 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCCN(C(=S)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 1321535988 CATGBSBZGUUWFQ-UHFFFAOYSA-N 434.562 4.405 5 20 IIBD O=[N+]([O-])c1ccccc1OCc1nnc(-c2nc(C3CC3)n(-c3ccccc3Cl)n2)o1 1322206263 WLCCOEXAWNWKQS-UHFFFAOYSA-N 438.831 4.335 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2C)cc1 1322613543 IKBFXDUTWMVINJ-QRWLVFNGSA-N 446.525 4.322 5 20 IIBD Cc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)nc2ccccc12 1325865434 OOYDMKINAXQYKJ-UHFFFAOYSA-N 444.413 4.433 5 20 IIBD CC1CCN(C[C@H](C)c2nnc(-c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])o2)CC1 1326265759 HJIRZNWSKRQNPR-ZDUSSCGKSA-N 428.411 4.421 5 20 IIBD CN1CCC(N2CCC(NCc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)CC2)CC1 1338750497 BXBZEGKYDBEFKC-UHFFFAOYSA-N 432.952 4.156 5 20 IIBD O=C(/C=C/c1ccoc1)Nc1ccc(C2(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)CCC2)cc1 1786750449 YHUCDOIMPNNAQQ-FARCUNLSSA-N 447.447 4.355 5 20 IIBD CC(C)O[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(F)c3[N+](=O)[O-])CCC2)cc1 1789597098 PSXDOXZNDRPERI-OAHLLOKOSA-N 443.475 4.295 5 20 IIBD Cc1c[nH]cc1C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)CCC1 1790622452 YWLGBLPIJNTYJD-UHFFFAOYSA-N 436.443 4.432 5 20 IIBD Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccoc2)C3)cc(Cl)cc1[N+](=O)[O-] 1800713411 XBJICJMQLRSUDX-ONRPKVDWSA-N 443.887 4.115 5 20 IIBD CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCc2cc(C)c(F)cc2[N+](=O)[O-])n[nH]1 1815071423 QXBDMCNYHWSEOW-SFHVURJKSA-N 445.495 4.190 5 20 IIBD CC(C)(C)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cccc([N+](=O)[O-])c2)n[nH]1 1815537122 CUAHHBJXCZYEOV-LJQANCHMSA-N 441.532 4.379 5 20 IIBD CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 1826392262 XVGLIRXMCRZYTQ-IBGZPJMESA-N 435.952 4.211 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nnc1-c1ccncc1 9485566 ASBQJSXFBQDNOF-NSHDSACASA-N 432.893 4.041 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2nc(-c3ccc(OC)c(F)c3)cs2)cc([N+](=O)[O-])c1 9802602 RMGHQRCTKGIGGY-UHFFFAOYSA-N 445.428 4.295 5 20 IIBD CCN(C(=O)[C@H](C)OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 11277689 YIXIBMAMMYCKMJ-SFHVURJKSA-N 428.488 4.140 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Cl 15650895 IGBAYSLVEJGPIB-JTQLQIEISA-N 427.240 4.403 5 20 IIBD Cc1cccc(C)c1NC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 15992394 ZSFULULUZLYRLF-UHFFFAOYSA-N 426.450 4.232 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)c2cc(C)n(-c3nccs3)c2C)c1 16196764 PXEZTFCZQHPAKH-UHFFFAOYSA-N 431.495 4.220 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)c2ccc(SC)c(NC(C)=O)c2)c1 16197278 KTJGHMDRCZYIPT-UHFFFAOYSA-N 434.495 4.037 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 17727639 BYODIVPXHABYPE-NEPJUHHUSA-N 444.425 4.338 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccnn1Cc1ccc(Br)cc1 18090217 AHCFCUDNSGUDRY-UHFFFAOYSA-N 447.314 4.333 5 20 IIBD CCOc1ccc(-c2nc(COC(=O)Cc3ccccc3[N+](=O)[O-])cs2)cc1OC 22141486 ZJJNHXBNHLBDEK-UHFFFAOYSA-N 428.466 4.412 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 31164860 GYBSKVGJZUEMMF-UHFFFAOYSA-N 425.485 4.420 5 20 IIBD O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 58518102 BZLMLPFGHRKULJ-INIZCTEOSA-N 432.267 4.460 5 20 IIBD O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 61606830 IDQLUPOSLPJNBX-UHFFFAOYSA-N 438.447 4.254 5 20 IIBD CCCOc1c(Cl)cc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1OCC 61618841 RXQUDEORDPJINE-UHFFFAOYSA-N 447.919 4.398 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1 64269435 WWBXJXVJKNYKKJ-UHFFFAOYSA-N 425.828 4.295 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1N1CCCCC1=O 64420658 ZRFSNSZZPATYAP-CYBMUJFWSA-N 447.875 4.180 5 20 IIBD CCc1cc(NC[C@@H](c2cccs2)N2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 64904937 DCRQCGZLDLJLTK-IBGZPJMESA-N 439.541 4.161 5 20 IIBD O=C(NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 65212569 JWYQJSVXZLRZQH-UHFFFAOYSA-N 429.358 4.211 5 20 IIBD Cc1c(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)nnn1-c1cccc([N+](=O)[O-])c1 108608266 BKDFSTSLLZFMQB-UHFFFAOYSA-N 434.387 4.063 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(NCc3cn(-c4ccccc4)nc3-c3ccncc3)cc2N1 195741640 VNUHREIKUIBXBF-UHFFFAOYSA-N 440.463 4.339 5 20 IIBD Cc1cccc([C@@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)N2CCOCC2)c1 237870236 AFGSDXMLZFLLKK-JOCHJYFZSA-N 438.553 4.190 5 20 IIBD CNC(=O)c1ccc(N2CCC[C@@H]2c2cc(Br)ccc2OC)c([N+](=O)[O-])c1 301140944 IBSTYAZRBNVXRM-OAHLLOKOSA-N 434.290 4.067 5 20 IIBD CC(C)(C)c1nc(CN2CCCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)no1 301803667 AWFFJDKWHIVZOW-UHFFFAOYSA-N 427.427 4.006 5 20 IIBD Cc1ccc(C(=O)Nc2cc(Br)cnc2OCC(F)(F)F)cc1[N+](=O)[O-] 303571763 MXJAXMDMOJIQER-UHFFFAOYSA-N 434.168 4.254 5 20 IIBD COc1ccc([C@H](C)Nc2ccc(I)cc2[N+](=O)[O-])cc1OC 321511321 MWCUDHLLXTZSET-JTQLQIEISA-N 428.226 4.390 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N[C@@H]2CCCC23CCOCC3)c([N+](=O)[O-])c1 409673998 YKBOHISCUVGQOT-OAQYLSRUSA-N 438.480 4.374 5 20 IIBD Cc1cc(C2CCN(C(=O)CCn3nc(C)c([N+](=O)[O-])c3C)CC2)ccc1Br 426371247 MMKYXCKQVLAERS-UHFFFAOYSA-N 449.349 4.275 5 20 IIBD CCOCCOCc1cccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1C 430611287 ODTBLNIOXDJQLG-UHFFFAOYSA-N 437.290 4.471 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2ccc(CC)c([N+](=O)[O-])c2)CC1 432508210 ZANBPFDCHJDTQV-UHFFFAOYSA-N 429.542 4.376 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC2(c3ccc4c(c3)OCO4)CC2)cc1[N+](=O)[O-])c1ccccn1 432849943 HDOQSWZKPDWQHD-HNNXBMFYSA-N 446.463 4.311 5 20 IIBD CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cccc(OC)c1[N+](=O)[O-] 435615306 HBFNXZLZPMNAPT-UHFFFAOYSA-N 426.256 4.011 5 20 IIBD COc1cccc(C(=O)N2C[C@@H](C)C(=O)N(Cc3ccccc3)c3ccccc32)c1[N+](=O)[O-] 435812393 WMXWPSHHEGGXKK-QGZVFWFLSA-N 445.475 4.433 5 20 IIBD CCC[C@@H](C)N(C(=O)c1cccc(OC)c1[N+](=O)[O-])c1nc(C)c(C(=O)OCC)s1 435856055 LGULOMRJKAUHOD-GFCCVEGCSA-N 435.502 4.380 5 20 IIBD COc1ccc(C(C)(C)CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1OC 436423027 YREWTVLNRSHTPO-UHFFFAOYSA-N 430.504 4.406 5 20 IIBD CCOc1ccc(OCC)c(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 437567999 MIEFBIWVMJINIC-UHFFFAOYSA-N 429.473 4.468 5 20 IIBD O=C(NCc1ccnc(OCc2ccccc2)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437935100 RJBBWLRKEHZIRW-UHFFFAOYSA-N 432.480 4.443 5 20 IIBD COc1cc(NC2CCN(Cc3cc([N+](=O)[O-])ccc3OC(C)C)CC2)cc(OC)c1 440539926 OYLQAICXFHZRMU-UHFFFAOYSA-N 429.517 4.476 5 20 IIBD COc1ccc(C(C)(C)c2noc(-c3cc(OC)c(OC)c([N+](=O)[O-])c3)n2)cc1OC 445687495 UWRHJDJWZVTOFG-UHFFFAOYSA-N 429.429 4.005 5 20 IIBD COc1cc(CN(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)ccc1SC 446119930 BGCJCAIAXCKMHK-UHFFFAOYSA-N 439.331 4.289 5 20 IIBD Cc1cnc([C@@H](NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)C2CC2)s1 460327701 OFXPHIGUNUREPT-SFHVURJKSA-N 425.514 4.102 5 20 IIBD CCC[C@@H]1SCCN1C(=O)c1cc(C(=O)N2CCS[C@H]2CCC)cc([N+](=O)[O-])c1 461653953 GIDWVOTWLBRVIY-ROUUACIJSA-N 437.587 4.225 5 20 IIBD COc1ccccc1[C@@H](NC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)c1ccccc1 464025848 QTSWOITUHFRACM-QFIPXVFZSA-N 433.464 4.065 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCc1cccc(OCc2ccccc2)c1 464041130 MLWWPKLQODBQCH-UHFFFAOYSA-N 447.491 4.088 5 20 IIBD Cc1cccc(Oc2cc(CNC(=O)NCCNc3ccc([N+](=O)[O-])cc3)ccn2)c1C 465636303 RZGZYNCOGSCTBP-UHFFFAOYSA-N 435.484 4.310 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccc(COc2ccccc2)cc1 467847988 BSNVGLCECDTANR-UHFFFAOYSA-N 439.855 4.082 5 20 IIBD C[C@@H](O)C[C@@H]1CCCCN1C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 468580230 VGSLXNLZTYEGOJ-JPYJTQIMSA-N 448.523 4.142 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1ccccc1Oc1ccc(C)cc1 469363217 VPMOUJCOVASGJW-IBGZPJMESA-N 437.500 4.244 5 20 IIBD CN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCCN(Cc2ccccc2)C1 470676299 ZWEIYPONIMIJNS-FQEVSTJZSA-N 436.537 4.455 5 20 IIBD CC[C@@H]1CN(C(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 470748031 ZYVDRZPBRJIHIY-XLIONFOSSA-N 441.528 4.380 5 20 IIBD C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCCn2cc([N+](=O)[O-])cn2)nnc1-c1ccco1 470842248 RXXCYKWOITZXCH-JKQORVJESA-N 428.518 4.432 5 20 IIBD CC(=O)NCC[C@H]1CCCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 476151024 MCZGEMIEPMYRFO-QGZVFWFLSA-N 426.473 4.157 5 20 IIBD CCOc1ccc(-c2nc(Cn3cc([N+](=O)[O-])cc(Br)c3=O)cs2)cc1 477532047 WHEIYVZTZBDUEM-UHFFFAOYSA-N 436.287 4.090 5 20 IIBD Cc1cc(N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(N2CCN(C(C)C)CC2)c1 479548022 VWHOWVCOKHVCKF-IBGZPJMESA-N 439.560 4.181 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1nc2ccccc2n1CCc1ccccn1 481233311 OYUOXDDOYFCBPT-UHFFFAOYSA-N 435.871 4.417 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 482051468 RHJXXANSIAVKSH-LBPRGKRZSA-N 427.427 4.040 5 20 IIBD CCOc1cc(N2CCN(Cc3nnc(-c4cccc(Cl)c4)o3)CC2)ccc1[N+](=O)[O-] 482882236 ARFLXIMULGIAND-UHFFFAOYSA-N 443.891 4.019 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(NC(=O)c2ccncc2)c1 484315931 GIFQLSKCZQZXCI-UHFFFAOYSA-N 436.493 4.284 5 20 IIBD O=C(NC[C@H]1CCCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1)c1ccccc1 484821655 OOLXZAYEKOMWKG-LJQANCHMSA-N 443.503 4.472 5 20 IIBD CCOc1cc(Br)c(F)cc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 485164816 GVSSTSAVWMRJMH-UHFFFAOYSA-N 449.236 4.333 5 20 IIBD CCC[C@](C)(NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1)C(=O)O 485719544 UWEGLVXVLSLUMT-FQEVSTJZSA-N 436.848 4.422 5 20 IIBD CC[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cc(F)cc(Br)c1 485926988 RPFFYODLZREVRY-MRXNPFEDSA-N 431.283 4.067 5 20 IIBD CC1(C)Cc2c(Br)cccc2[C@@H]1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 490422847 MHMWUSYRUKQJFI-KRWDZBQOSA-N 439.331 4.100 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 491331381 FUSWXTCQQPFWMP-INIZCTEOSA-N 446.328 4.429 5 20 IIBD COc1c(S(=O)(=O)Nc2cc(C)ccc2Cl)cc(Br)c(C)c1[N+](=O)[O-] 491579638 SRMJNUZASJQAAM-UHFFFAOYSA-N 449.710 4.437 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1OC 492075631 JILWTDQJHFCVGX-UHFFFAOYSA-N 446.887 4.391 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2CCCc3occc32)cc1[N+](=O)[O-] 493325762 ZDODMMJWFMPJFS-LJQANCHMSA-N 433.464 4.292 5 20 IIBD CCOC(=O)[C@@H]1CCCc2sc(NC(=O)c3cc([N+](=O)[O-])ccc3SCC)nc21 493410127 PNKKVXAJOFSGPO-GFCCVEGCSA-N 435.527 4.399 5 20 IIBD CN1CCO[C@@H]([C@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c2ccc(Cl)cc2)C1 494531975 YCRZAPJXHXCIIR-RTBURBONSA-N 443.853 4.429 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(CN2CCCCC2=O)c1 497339884 HAYSRFJZQWOFCV-CQSZACIVSA-N 431.876 4.167 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccccc1Nc1ccc(F)cc1F 499339045 CEAZTLJVIPLPRW-UHFFFAOYSA-N 440.362 4.163 5 20 IIBD O=C(CSc1ccccc1C(=O)NCc1ccccc1[N+](=O)[O-])NCC1CCCCC1 500746706 KQEWRBPTYJBOCT-UHFFFAOYSA-N 441.553 4.313 5 20 IIBD Cc1onc(-c2cccc(Br)c2)c1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 502223708 ZQIXFQWWZZMJOG-UHFFFAOYSA-N 445.273 4.163 5 20 IIBD C[C@@H](NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1cccc(Cl)c1Cl 502241258 HVJMLKOPVFPEBF-GFCCVEGCSA-N 436.295 4.270 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)Cc2ccccc2C(F)(F)F)cc1OC 503649927 OBXIBABXYUMNCO-LBPRGKRZSA-N 426.391 4.382 5 20 IIBD COc1ccc(-c2nc(C)c([C@@H](C)NS(=O)(=O)c3cccc([N+](=O)[O-])c3C)s2)cc1 506252498 DCYFJFDOBUTQFM-CQSZACIVSA-N 447.538 4.383 5 20 IIBD COc1ccc(CCNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1OC(F)F 506267132 BJMYBEUOOHTFES-UHFFFAOYSA-N 449.435 4.301 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-])c1ccccn1 507514735 ZLPDNTCOZLUJJD-MSOLQXFVSA-N 439.560 4.403 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc(-n2cccn2)c(F)c1 508793181 FVARFAIAGOWQGB-AWEZNQCLSA-N 444.488 4.149 5 20 IIBD COc1ccc([C@H](C)NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1Br 510880466 HWUVSIOUPZCSDW-ZDUSSCGKSA-N 436.306 4.311 5 20 IIBD O=C(NCCC(=O)N(Cc1ccccc1Cl)C1CCCC1)c1ccc([N+](=O)[O-])cc1 511958588 URBVZVKGBPBXHF-UHFFFAOYSA-N 429.904 4.340 5 20 IIBD COc1cc(C(=O)Nc2ccc(F)c(F)c2F)c([N+](=O)[O-])cc1OCc1cscn1 512384605 SNNCJXROFRWCBO-UHFFFAOYSA-N 439.371 4.309 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)N2CC=C(c3cccc4ccccc34)CC2)cc1[N+](=O)[O-] 513556188 DPMHXXAUPCGLJO-UHFFFAOYSA-N 436.489 4.081 5 20 IIBD CSc1ccc([C@H](CNc2c([N+](=O)[O-])ncn2C)N2CCc3sccc3C2)cc1 515550877 SVZYDJXRVSHWIG-KRWDZBQOSA-N 429.571 4.323 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCC2(N(C)C)CCCC2)cc1[N+](=O)[O-] 516396830 JCCXAZROWZFGPH-UHFFFAOYSA-N 441.553 4.152 5 20 IIBD CCc1cc(=NCc2ccc(OC(F)F)c(OC)c2)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 516607063 LEHVQSIEBNNBCN-UHFFFAOYSA-N 430.411 4.258 5 20 IIBD COc1ccc([C@@H](NC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)c2ccc(F)cc2)cc1 517771882 RHLZZFUGGMTVLM-QFIPXVFZSA-N 439.443 4.340 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H](O)COc3cccc(C(F)(F)F)c3)o2)cc1 518779436 QQUHHWGWKVRRCQ-QGZVFWFLSA-N 436.386 4.403 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)cc1OC 520003390 KVGSWHBHHSPWPS-JOCHJYFZSA-N 446.475 4.429 5 20 IIBD CN(Cc1ccc(C(C)(C)C)cc1)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 521105785 ZVZYGUXNWIGZNN-KRWDZBQOSA-N 429.542 4.217 5 20 IIBD CCOc1ccc(NC(=O)c2ccc(NC(=O)CNc3ccccc3[N+](=O)[O-])cc2)cc1 521538583 TVYFKZIBJPVDCC-UHFFFAOYSA-N 434.452 4.296 5 20 IIBD O=C(c1cccnc1SCC1CCCCC1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 522923254 QRLLDIBIMPOPTN-KRWDZBQOSA-N 441.557 4.384 5 20 IIBD COc1ccc([C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c2ccc(F)cc2)cc1 523757703 WDLYFKHEXBQGFW-NRFANRHFSA-N 430.457 4.119 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1cccc(CSC2CCCC2)c1 525434604 KAQSBKHVMBWFOR-UHFFFAOYSA-N 427.526 4.368 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCCc2ccc(F)c(F)c2)cc1[N+](=O)[O-])c1ccccn1 526063417 FNHQMXHGWSIBOT-CQSZACIVSA-N 426.423 4.414 5 20 IIBD O=C(Nc1ccc(N2CCCCC2)c2ncccc12)c1cc([N+](=O)[O-])cc2c1OCCO2 526778984 LGZQZHLRKTUFIZ-UHFFFAOYSA-N 434.452 4.157 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)cc1[N+](=O)[O-] 527009668 NGHNYBPZFVTHBV-UHFFFAOYSA-N 436.434 4.269 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNc3ccc4nc(CCN5CCOCC5)[nH]c4c3)o2)cc1 532889116 GIGNURUMLAASAN-UHFFFAOYSA-N 447.495 4.218 5 20 IIBD O=C(c1cc2ccccc2cc1OC(F)F)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 534151693 UIBJDDROUBYMEX-OAHLLOKOSA-N 428.395 4.071 5 20 IIBD O=C(CCCn1c(=O)oc2ccccc21)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 534520377 GIZZNWOKAVUWOX-UHFFFAOYSA-N 445.431 4.153 5 20 IIBD CN(C)C(=O)C[C@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c2ccc(Cl)cc21 534840819 GEMMIELFSYSBEG-HNNXBMFYSA-N 440.887 4.485 5 20 IIBD Cc1nc([C@H](NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2)no1 536525753 PTWOVSHYDPDULX-PIGZYNQJSA-N 432.889 4.326 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)c1 537328075 YMFQOIJPIXCGAP-CYBMUJFWSA-N 430.848 4.253 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 538644204 SQSLOHXESYNPSM-MRXNPFEDSA-N 436.516 4.191 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 538741488 HGIDKJZEABTJKE-KRWDZBQOSA-N 442.491 4.333 5 20 IIBD COc1cc(CN2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c([N+](=O)[O-])cc1OC 541209183 DMWNRTFQDXKBQQ-LJQANCHMSA-N 426.391 4.204 5 20 IIBD O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1 541282962 RAZANOISTBHPRP-YLJYHZDGSA-N 442.903 4.215 5 20 IIBD O=[N+]([O-])c1ccc(N2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)cc1OC(F)F 541992927 PQRBUDZNHISRHF-SPLOXXLWSA-N 443.410 4.199 5 20 IIBD CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 543122722 SRDYUROSWYIGJY-UHFFFAOYSA-N 443.859 4.106 5 20 IIBD O=C1CCCN1Cc1cccc(-c2noc(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)c1 545727635 QEQCTFNRMYPUGY-UHFFFAOYSA-N 433.468 4.034 5 20 IIBD CN(C)C(=O)c1ccc(-c2noc(-c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)n2)cn1 545767511 CCZIFGPYBCFBHA-UHFFFAOYSA-N 430.424 4.152 5 20 IIBD COc1ccc(-c2nnc(Sc3ncc([N+](=O)[O-])cn3)n2CCc2ccccc2)cc1 546189916 POJNDEUARGAWKD-UHFFFAOYSA-N 434.481 4.046 5 20 IIBD COc1ccc([C@@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)N2CCCCC2)cc1 546534921 LGUPKOSPEBRVOG-JOCHJYFZSA-N 443.519 4.364 5 20 IIBD O=C(CCCc1ccccc1)N[C@@H]1CCCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 553237620 IPODCPXBESLISU-MRXNPFEDSA-N 436.434 4.117 5 20 IIBD O=C(NCCc1cc(Br)ccc1F)c1cc([N+](=O)[O-])ccc1C(F)(F)F 555523746 YYRURRYPUAYRJP-UHFFFAOYSA-N 435.171 4.488 5 20 IIBD Cc1cccc([C@H]2CN(Cc3ccccc3)C[C@@H]2c2nc(-c3c([N+](=O)[O-])ncn3C)no2)c1 556321157 JBTPTCKIMHBZBP-UXHICEINSA-N 444.495 4.070 5 20 IIBD COCCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1OC 556933882 JACJSRJCJYAPON-UHFFFAOYSA-N 428.363 4.290 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 557548151 VQPRDCMNVOXKGL-CXAGYDPISA-N 440.443 4.379 5 20 IIBD COc1ccc([C@@H]2CCCCCN2C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 567425120 XPMYXEXJNWIGHC-SFHVURJKSA-N 445.903 4.131 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)N(CC(F)(F)F)c1ccc(Br)cc1 569407968 XHLNFHOCKQEMSN-UHFFFAOYSA-N 433.180 4.332 5 20 IIBD CC(=O)NCc1ccc(-c2csc(NC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)n2)s1 571498318 XAOXRPDVYDSSEG-LLVKDONJSA-N 430.511 4.158 5 20 IIBD Cn1cc([N+](=O)[O-])cc1-c1nc(-c2cc(Br)sc2Br)no1 573056363 KQDBGULIOWORHI-UHFFFAOYSA-N 434.069 4.237 5 20 IIBD COc1cc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1NC(C)=O 603775205 RJPFCPPMLFSUAX-UHFFFAOYSA-N 440.378 4.021 5 20 IIBD O=C(Cn1cc(Br)c([N+](=O)[O-])n1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 603947516 PSSHWLVZIYHGJB-CYBMUJFWSA-N 448.104 4.224 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)Nc1ccc(I)cc1Cl 604476199 JVABQLVEORPHPT-UHFFFAOYSA-N 431.617 4.175 5 20 IIBD COc1cc(CNCCN2Cc3ccccc3C2)c([N+](=O)[O-])cc1OCc1ccccc1 608782096 IQNKYQZAXKPRBA-UHFFFAOYSA-N 433.508 4.288 5 20 IIBD Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 609448441 CRHKPRHVDALQKC-UHFFFAOYSA-N 445.483 4.219 5 20 IIBD O=C(CCOc1ccccc1-c1ccccc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 609883593 OVHMBDOEOPJLPO-LJQANCHMSA-N 432.480 4.139 5 20 IIBD Cc1cccc(-n2nc(-c3ccco3)cc2NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c1 609977824 UUDYIQWGDLYFRA-UHFFFAOYSA-N 446.419 4.372 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1OC1CCCC1 611499420 XPPQWWGZJYJXAG-UHFFFAOYSA-N 449.866 4.006 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 611531702 VOSWRJAWMCNLIB-OAQYLSRUSA-N 447.495 4.171 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 615691543 USJRXZJNXJYWKZ-IUCAKERBSA-N 434.358 4.320 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 619751417 JONCMTYHOCMPRS-UHFFFAOYSA-N 425.875 4.181 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 726289853 GBRXPCDXEDGRSF-CQSZACIVSA-N 430.892 4.054 5 20 IIBD C/C(=C\C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Cl 730703662 ISBVACAQMBAFQT-QJPKHSJYSA-N 428.872 4.500 5 20 IIBD COc1ccc2ccc(OC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)cc2c1 731962766 AFUJDQOPPJALPQ-KRWDZBQOSA-N 426.450 4.028 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2c(N3CCCC3)cccc2N2CCCC2)cc1[N+](=O)[O-] 731985205 QLBQYAJZEYKKTA-UHFFFAOYSA-N 439.472 4.264 5 20 IIBD COC(=O)c1cc(OS(=O)(=O)c2ccc3oc4ccccc4c3c2)ccc1[N+](=O)[O-] 732669781 QUXOKDDIUULOSE-UHFFFAOYSA-N 427.390 4.049 5 20 IIBD O=C(OCCOc1ccc2ccccc2c1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 733558065 QXSFILYLGXMXKV-SFHVURJKSA-N 440.477 4.036 5 20 IIBD O=[N+]([O-])c1cccc(/C(O)=C(/C(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)[n+]2cc(O)cc(Cl)c2)c1 738012207 HPNOSPKNGGRJDY-ZJNRKIDTSA-O 446.936 4.231 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 738748175 XYNQGPBZPISZQX-GFCCVEGCSA-N 440.374 4.298 5 20 IIBD COc1c([N+](=O)[O-])cc(NC[C@H](O)c2ccccc2Cl)c([N+](=O)[O-])c1Br 740871861 PZTZDRHYJKSSEM-LBPRGKRZSA-N 446.641 4.073 5 20 IIBD O=[N+]([O-])c1cn(CN2CCC[C@H]2c2cccc(Br)c2)nc1-c1ccncc1 742146243 LUBAYFPJANCATR-KRWDZBQOSA-N 428.290 4.410 5 20 IIBD O=C(CCCc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 742399175 DPWAXWSCUNPPQR-UHFFFAOYSA-N 432.318 4.029 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cc1 742890279 BQYQOVCSRYDVPA-CYBMUJFWSA-N 443.456 4.204 5 20 IIBD Cc1cnn(CC(=O)Oc2ccc(Cl)cc2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 744283482 KHHAIOQAGRIRBB-UHFFFAOYSA-N 449.250 4.264 5 20 IIBD CN(C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 744670357 KBZOAPSMHBAEQD-SFHVURJKSA-N 440.500 4.420 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1NC(=O)CC(C)C 745298855 YNDQVRXBYOAQRX-INIZCTEOSA-N 441.484 4.380 5 20 IIBD COc1ccc2sc(C(=O)O[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)c(C)c2c1 745341596 QRMLEDCOPNTMPS-LBPRGKRZSA-N 444.465 4.319 5 20 IIBD C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H](O)c1c(F)cccc1Cl 748394180 MRIXNDZLLGTCEZ-GLEZIHRCSA-N 431.645 4.002 5 20 IIBD CCc1cc(O)nc(-c2cccc(NC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)c2)n1 748619486 FIBVIXWYCCJHKQ-UHFFFAOYSA-N 437.412 4.097 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CSCC(=O)N[C@H](C)c1ccc(Br)cc1 750950102 QZPVEQZQNSFREU-GFCCVEGCSA-N 439.331 4.477 5 20 IIBD C[C@H](NC(=O)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2)c1cc(Cl)ccc1Cl 751227250 GHKLPKFJVKXMOD-QMMMGPOBSA-N 442.211 4.072 5 20 IIBD Cc1noc(C2CC2)c1C(=O)O[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 751694051 WQFOEJSKFCBPBQ-LLVKDONJSA-N 442.453 4.076 5 20 IIBD CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)cc1 752985103 WJWFVXDGTZBZAV-UHFFFAOYSA-N 445.884 4.326 5 20 IIBD C[C@@H](OC(=O)c1cc(-c2ccccn2)ccc1Cl)C(=O)Nc1ccccc1[N+](=O)[O-] 754998526 JPKOOOFJDSQRKF-CYBMUJFWSA-N 425.828 4.494 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc2ccccc2cc1NC(=O)C(C)C 757114371 KUWGMOCNZFQOSH-UHFFFAOYSA-N 449.463 4.446 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CC=C(c2ccccc2C(F)(F)F)CC1 763837852 KRSQRGHYWIRYDO-UHFFFAOYSA-N 430.386 4.279 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C 764246904 IQXFPZNXGGYNEU-UHFFFAOYSA-N 425.850 4.456 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCO[C@@H](c3ccccc3F)C2)c1=S 764963588 PVAOMYNJYWBMJQ-LJQANCHMSA-N 443.504 4.179 5 20 IIBD O=C1[C@@H](NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCCN1c1ccccc1Cl 766163329 KLXKYIWEKCWBEE-FQEVSTJZSA-N 428.920 4.002 5 20 IIBD C[C@H](OC(=O)[C@H](F)c1ccccc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 769159237 BOMDZKIOJDOHJG-YVEFUNNKSA-N 429.429 4.299 5 20 IIBD C[C@@H](OC(=O)c1cccc(OCC(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 770135193 PEFDKOQHBFLOTO-SNVBAGLBSA-N 446.765 4.373 5 20 IIBD CC(C)N(Cc1ccccc1)C(=O)COC(=O)c1sc(Br)cc1[N+](=O)[O-] 773598792 NJSZKRXAEDETAH-UHFFFAOYSA-N 441.303 4.013 5 20 IIBD CCc1ccc([C@@H](C)NC(=O)COC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 773603036 KTRYDJATENNSSQ-SNVBAGLBSA-N 441.303 4.015 5 20 IIBD Cc1ccc(Cn2c(SC[C@H](O)c3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)cc1 776270175 AAEVCMZCDYGJSA-QFIPXVFZSA-N 447.516 4.487 5 20 IIBD O=C(COC(=O)c1c(C(F)(F)F)ccnc1Cl)Nc1ccc(Cl)c([N+](=O)[O-])c1 776470368 UAZVFLHDOFRQFZ-UHFFFAOYSA-N 438.145 4.111 5 20 IIBD Cc1ccc2c(c1)SCCCN2C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 778272960 CNPZCYHABQPJLR-UHFFFAOYSA-N 441.538 4.326 5 20 IIBD CC[C@H](C)N(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])Cc1nc(O)c2ccccc2n1 778965647 DYSNOVIYHOQHKM-ZDUSSCGKSA-N 443.891 4.136 5 20 IIBD CC[C@@H]1C[C@H](C(=O)O[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CCO1 780150493 QVKIICHZOCWPJE-OPYAIIAOSA-N 426.469 4.331 5 20 IIBD COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H](C)c1ccccc1[N+](=O)[O-] 783699902 XBYJNWMENPLIKH-KUHUBIRLSA-N 430.457 4.474 5 20 IIBD CC(=O)c1cc(Br)ccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 783875551 MNFMOFUCPZACQL-UHFFFAOYSA-N 433.667 4.014 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 784101612 GVDBYKMCNCVKNU-CHWSQXEVSA-N 443.953 4.102 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(Cl)c1 785334467 DLYCLFMOWATODS-UHFFFAOYSA-N 449.895 4.269 5 20 IIBD CC(=O)c1cccc(NC(=O)[C@H](OC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C(C)C)c1 785950534 KYEVECPBFHWUKB-HXUWFJFHSA-N 432.860 4.200 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=S)N[C@H](C)Cc1ccccc1 786059517 AMWLQOBERSJTNY-MRXNPFEDSA-N 439.541 4.361 5 20 IIBD COc1cc(C(=O)OCc2cc(-c3cccc(F)c3)on2)c([N+](=O)[O-])cc1OC(F)F 786770265 NNIPPYZEEUXEEW-UHFFFAOYSA-N 438.314 4.356 5 20 IIBD C[C@@H](N[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1)c1ccc(N)c([N+](=O)[O-])c1 788615182 VOHBHLUXRJAJEO-JLCFBVMHSA-N 443.500 4.160 5 20 IIBD CCc1c(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cnn1C1CCCC1 789247301 HMZJHSOXUNTNGL-LBPRGKRZSA-N 434.880 4.306 5 20 IIBD NC(=O)c1ccccc1Oc1ccc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])cc1 790934241 IOPVVSCCDDAZMZ-UHFFFAOYSA-N 443.818 4.460 5 20 IIBD O=C(c1cc(-c2cccs2)[nH]n1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791172422 OMIOWQFHPDIQLR-UHFFFAOYSA-N 433.287 4.007 5 20 IIBD COc1ccc(C(=O)c2ccccc2C(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 792118907 GBHGFJUNOSLBBC-UHFFFAOYSA-N 436.376 4.100 5 20 IIBD COc1ccc([C@@H]2CCCN2C(=O)COc2cc(F)c([N+](=O)[O-])cc2Cl)c(OC)c1 795246548 KRPDTAURTUKJIE-INIZCTEOSA-N 438.839 4.147 5 20 IIBD C[C@H]1[C@@H](c2ccccc2)CCN1CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O 795434592 DNNDDMWDYCAYPG-BBRMVZONSA-N 430.302 4.149 5 20 IIBD CC(C)c1[nH]nc(C(=O)OCC(=O)Nc2ccccc2Sc2ccccc2)c1[N+](=O)[O-] 796255528 SOOCKVJICGEBCX-UHFFFAOYSA-N 440.481 4.388 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1 797633897 VYSPBKMSELBOHB-LJQANCHMSA-N 440.500 4.382 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@H](c3cccnc3)C(C)C)CC2)ccc1[N+](=O)[O-] 797952910 SSHQQQWZECGZTP-QFIPXVFZSA-N 427.501 4.340 5 20 IIBD COCC1(CNc2nc3ccc([N+](=O)[O-])cc3s2)CCN(C(=O)OC(C)(C)C)CC1 804719310 NXPULTCPQAYUPL-UHFFFAOYSA-N 436.534 4.280 5 20 IIBD CC(C)CCN(CCC(C)C)C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810349903 NZNWQQSREQZHLF-UHFFFAOYSA-N 428.327 4.217 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CCCC[C@H]2COC(=O)NC2CCCC2)cc1[N+](=O)[O-] 812107867 GDILHGUTWVIZOR-APWZRJJASA-N 432.521 4.197 5 20 IIBD C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(C(F)(F)F)nc1Cl 815051438 PEBNTTLFPGCEHU-SSDOTTSWSA-N 444.218 4.355 5 20 IIBD COc1ccc(N2C[C@H](C(=O)OCc3nc4ccccc4c4ccccc34)CC2=O)cc1 913322387 KBZOUZSVTRKMAR-QGZVFWFLSA-N 426.472 4.493 5 20 IIBD CC1=NN(c2ccc(C(=O)N(Cc3nnc(-c4cccc([N+](=O)[O-])c4)o3)C(C)C)cc2)CC1 915823717 LNROAAXZEUQARY-UHFFFAOYSA-N 448.483 4.282 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cc2ccc(OC(F)(F)F)cc2[nH]1 917334524 XGDZAHBHLNOQSS-UHFFFAOYSA-N 448.313 4.382 5 20 IIBD C[C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c2ccccc2S1 917649114 OLNLFGORDVYWBI-LLVKDONJSA-N 443.344 4.437 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2c2cccc(F)c2)cc1Br 917927128 JABUQFDCOSAKSN-HNNXBMFYSA-N 429.267 4.022 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)[C@@H]1Cc2ccccc2S1)c1cccc([N+](=O)[O-])c1 918632585 JJURNMSUOMYZSJ-RXVVDRJESA-N 440.521 4.240 5 20 IIBD O=C(OCc1nnc(-c2ccc(Br)cc2)o1)c1cc2cccc([N+](=O)[O-])c2[nH]1 919526803 RGNFFZYGCRKQEM-UHFFFAOYSA-N 443.213 4.246 5 20 IIBD O=[N+]([O-])c1ccc(Oc2ccccc2S(=O)(=O)C(F)(F)F)c(Br)c1 1116102363 PWLNZRNTWDEIPN-UHFFFAOYSA-N 426.166 4.443 5 20 IIBD CN(C)C(=O)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C1 1263920409 FSMWZEDKIDYIIJ-HNNXBMFYSA-N 447.944 4.340 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1ccc(Cn2cccc2)cc1)c1ccccc1[N+](=O)[O-] 1318296699 UVRDQYHVTYABFC-OAQYLSRUSA-N 435.480 4.257 5 20 IIBD CN(Cc1cc2ccccc2[nH]1)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1319155821 FKOCUUOFTVZILE-UHFFFAOYSA-N 435.406 4.348 5 20 IIBD Cc1c(I)cccc1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 1319963491 KBMQGRKQLGGWSO-GFCCVEGCSA-N 439.253 4.255 5 20 IIBD CCOc1cc(Br)c(CC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc1OCC 1322108996 DMDOJKOVXPIIPH-UHFFFAOYSA-N 449.301 4.240 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(-c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)o2)c1 1322633314 ZSQGNVXPPFTOHO-UHFFFAOYSA-N 440.412 4.252 5 20 IIBD Cc1c(Br)cc(C(=O)NCCc2coc(-c3ccccc3)n2)cc1[N+](=O)[O-] 1335586757 DAQHWNWUYIFCDU-UHFFFAOYSA-N 430.258 4.293 5 20 IIBD O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCCc2c1cnn2Cc1ccccc1 1336945281 AQVKGJWLRSSOFY-OAQYLSRUSA-N 431.496 4.221 5 20 IIBD O=C(NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 1343983412 OOBNITLJMHMNSD-SEJPIABJSA-N 445.523 4.096 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@@H]3CCCSC3)CCC2)cc1)c1ccc([N+](=O)[O-])o1 1785752854 TZGXIXQYEYUBPE-CQSZACIVSA-N 429.498 4.079 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccccc3O)CCC2)cc1)c1ccc(O)c([N+](=O)[O-])c1 1790619188 WVOIRTVDUNUBMB-UHFFFAOYSA-N 447.447 4.068 5 20 IIBD C[C@@H]1CCC[C@@H]1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)[nH]n1 1818952975 LLWQBOUZOUBPIG-FVRMZWEHSA-N 441.488 4.053 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC12CN(C(=O)CC1CCC(C)(C)CC1)C2 1845493688 QOTHYZQPWKERER-UHFFFAOYSA-N 445.535 4.466 5 20 IIBD Cc1c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cccc1[N+](=O)[O-] 11397941 RMAHCQLFLKLRTI-SNVBAGLBSA-N 441.318 4.014 5 20 IIBD C[C@H](OC(=O)Cc1ccc(Br)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 11445133 VNGOVWPVCUMYHE-JTQLQIEISA-N 441.665 4.124 5 20 IIBD CC(=O)Nc1ccc(Sc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])cc1 15164543 QGEUIKCCGPXKDZ-UHFFFAOYSA-N 449.554 4.269 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)cc(Cl)c1 15434900 GANSYDYTFUOCRI-INIZCTEOSA-N 442.324 4.392 5 20 IIBD C[C@@H](Sc1nnc(-c2ccncc2)n1C1CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 16674378 FCDQUMOJEOBGIK-GFCCVEGCSA-N 435.469 4.487 5 20 IIBD CCn1c(SCC(=O)NCCc2ccccc2OC)nc2cc3ccccc3cc2c1=O 19241449 LDRILVNZKLEAQQ-UHFFFAOYSA-N 447.560 4.029 5 20 IIBD CCOc1ncccc1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 27515099 AGIIHFDQQHUXCH-UHFFFAOYSA-N 443.463 4.422 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 29056217 GKLOPRWBSGNPCC-CQSZACIVSA-N 425.514 4.147 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N(C)CCOc2ccccc2)c([N+](=O)[O-])c1 29302453 DQZMMINZCFSCOL-UHFFFAOYSA-N 434.448 4.128 5 20 IIBD COc1cccc(C(=O)N2CCN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 29526334 FQRPNIWSWQXYHT-UHFFFAOYSA-N 443.809 4.238 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2ccccc2OC(F)(F)F)cc1OC 31090080 BQKCFLBLKCOJKK-UHFFFAOYSA-N 428.363 4.173 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)nnc1-c1cccs1 36859572 WOTXRZLFXWYXPQ-LLVKDONJSA-N 433.515 4.063 5 20 IIBD CCOc1cc(NC(=O)C(=O)N[C@H](CC)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OCC 62005108 NQHMSRLRMWBVDY-OAHLLOKOSA-N 449.891 4.252 5 20 IIBD CN(CCCCCc1cc(-c2cccc(F)c2)no1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 63773872 KTDFDACRUQXKRC-UHFFFAOYSA-N 447.488 4.422 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccnn2Cc2cccc3ccccc23)cc([N+](=O)[O-])c1 71924756 MRISKKWLTCYSDQ-UHFFFAOYSA-N 430.420 4.032 5 20 IIBD C[C@H](c1ccncc1)N(C)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 71939468 SDKWBLXURHRYAE-CQSZACIVSA-N 436.434 4.445 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(F)c(C(F)(F)F)c2)ccc1[N+](=O)[O-] 72080462 JVYILVFRTIPUGZ-KRWDZBQOSA-N 439.365 4.304 5 20 IIBD COc1ccc(-c2ccc(CNC[C@@H]3CCN(c4ccccc4OC)C3)o2)c([N+](=O)[O-])c1 237416646 YELDENXBKJHUGY-KRWDZBQOSA-N 437.496 4.488 5 20 IIBD C[C@@H]1C[C@@H](C)CN(Cc2ccc(CNc3sc(S(C)(=O)=O)cc3[N+](=O)[O-])cc2)C1 301943798 YRUXCPDXINOOSD-HUUCEWRRSA-N 437.587 4.150 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2nc3c(s2)C[C@@H](c2ccccc2)CC3)c([N+](=O)[O-])c1 409576661 OEVMCTGDQJQTGI-HNNXBMFYSA-N 429.523 4.433 5 20 IIBD COc1ccc(CN2CCC(CNC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)CC2)cc1 431781305 BWSAREJBYDHFCF-UHFFFAOYSA-N 440.544 4.050 5 20 IIBD CCOc1cc(NC(=O)NCC2(CO)CC(c3ccccc3)C2)c([N+](=O)[O-])cc1OCC 432911358 QZDPDSFHVJKKHM-UHFFFAOYSA-N 443.500 4.070 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CN3CCC4(CCN(Cc5ccccc5)CC4)C3)n2)cc1 433176157 RNMCDYDVLOSCMW-UHFFFAOYSA-N 433.512 4.133 5 20 IIBD Cc1ccn(C2CCN(C(=O)c3ccc(N4C[C@@H](C)C[C@H](C)C4)c([N+](=O)[O-])c3)CC2)n1 434037456 QWVRKWLTVGJSRS-IRXDYDNUSA-N 425.533 4.059 5 20 IIBD Cc1c(NC(=O)C(=O)NC2(c3cc(C(F)(F)F)ccc3Cl)CC2)cccc1[N+](=O)[O-] 434622021 ZQRLLARDOSBBSP-UHFFFAOYSA-N 441.793 4.319 5 20 IIBD Cc1cccc(NC(=O)CN(C)C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1C 435823387 BWNRWVWICBROAB-UHFFFAOYSA-N 449.457 4.287 5 20 IIBD CN1CCC(Nc2ccccc2NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 436375428 YNWKNXKVICSSHW-UHFFFAOYSA-N 426.520 4.440 5 20 IIBD COc1ccc(CCN(Cc2ccsc2)C(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1OC 436960201 JCHBMYSHSBCSHP-UHFFFAOYSA-N 442.493 4.264 5 20 IIBD CS(=O)(=O)c1cc(C(=O)NCc2ccc(Sc3ccccc3)cc2)cc([N+](=O)[O-])c1 437259527 AFKJJIJANBJIIY-UHFFFAOYSA-N 442.518 4.080 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2cccc(Oc3ccccn3)c2)ccc1[N+](=O)[O-] 437475529 LXRAITFXWJZOOH-NRFANRHFSA-N 446.463 4.334 5 20 IIBD CC(C)c1ccc(C(=O)N[C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)cc1[N+](=O)[O-] 439113372 QTHNTMMOFSDTHL-QGZVFWFLSA-N 438.528 4.466 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(c2cc(NC(C)=O)ccc2OC)C(C)C)cc1SC 441613779 UTKSCAFVIUFQDS-UHFFFAOYSA-N 447.513 4.348 5 20 IIBD O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3ncnc4scc(-c5ccc(F)cc5)c34)C2)nc1 443881058 GGASYVCCZIPADR-OAHLLOKOSA-N 436.472 4.491 5 20 IIBD CCc1[nH]nc(C(=O)N(CC)[C@@H]2CCSc3ccc(Br)cc32)c1[N+](=O)[O-] 444178739 CWQHTINJYCQECJ-CYBMUJFWSA-N 439.335 4.342 5 20 IIBD C[C@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1noc(Cc2ccccc2)n1 444191677 XYHSRRORKTWJTM-AWEZNQCLSA-N 442.450 4.285 5 20 IIBD C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 444209579 CJXDEKMXKXWZED-BDJLRTHQSA-N 431.297 4.052 5 20 IIBD Cc1cc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)nn1-c1ccccc1 444290452 OZTQLDAHEHEKDS-UHFFFAOYSA-N 430.414 4.706 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCCN2CCCC(C)(C)C2)cc1[N+](=O)[O-])c1ccccn1 444613500 KNDDVIIIWUKLCP-QGZVFWFLSA-N 425.533 4.015 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1ccccc1OCCc1ccccc1 444833597 FRYIVEBGSQRLJA-UHFFFAOYSA-N 431.452 4.414 5 20 IIBD COc1ccc([C@H](NC(=O)c2cnc(O)c([N+](=O)[O-])c2)c2ccc(C(F)(F)F)cc2)cc1 445157837 KFEHURRGSCPROQ-GOSISDBHSA-N 447.369 4.242 5 20 IIBD O=C(Cc1noc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1)Nc1ccc(F)c(Cl)c1 445365240 KRUGUWDKUPCXHA-UHFFFAOYSA-N 445.838 4.219 5 20 IIBD O=C1C[C@H](c2nc(-c3ccc([N+](=O)[O-])s3)no2)CN1Cc1cccc(C(F)(F)F)c1 445467193 LVIIXXUOPCALPH-NSHDSACASA-N 438.387 4.241 5 20 IIBD Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H](CO)Cc1ccccc1OC(F)(F)F 446236454 GMYNFWUNBCQXSA-LBPRGKRZSA-N 446.809 4.036 5 20 IIBD CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 460627323 FCYQRJIPWNSKTB-AZYRPFHASA-N 441.557 4.444 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCN(Cc4ccon4)CC3)cc2[N+](=O)[O-])cc1 461316699 MVHPFXGIIIMWRY-UHFFFAOYSA-N 438.509 4.000 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O 462503294 RNBISAGMSPBIKD-UZLBHIALSA-N 429.904 4.081 5 20 IIBD Cc1ccc(C(=O)NC2CCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)s1 463631212 RREQWTHLGQCAQJ-UHFFFAOYSA-N 441.431 4.018 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 464723097 CSLIGIREYPIREK-UHFFFAOYSA-N 438.337 4.346 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NCCC(c1ccccc1)c1ccccc1 465059471 NYRAYADGCJZYPW-UHFFFAOYSA-N 432.476 4.247 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nnc(-c3cc4ccccc4o3)s2)c1 469091828 WWMWFZNPJBESKK-UHFFFAOYSA-N 430.467 4.277 5 20 IIBD COc1ccc(-c2ccc(NC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)nc2)cc1Cl 469884651 OZMZTPKGGHOOKY-UHFFFAOYSA-N 427.800 4.300 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N(c1ccccc1)C1Cc2ccccc2C1 470771813 HKHOGFGFXQYYPG-UHFFFAOYSA-N 430.460 4.109 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(c2cncc3ccccc23)CC1 472759122 YIIIMCBMJUSMBH-MRXNPFEDSA-N 430.468 4.076 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CC=C(c2cccc(Cl)c2)CC1 477359310 YXLTWDXOZLWVLU-UHFFFAOYSA-N 427.888 4.014 5 20 IIBD Cc1ccccc1[C@@H]1CN(c2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)[C@H](C)CO1 480067521 ZVJQPXYABXKYOG-QRWLVFNGSA-N 440.887 4.069 5 20 IIBD Cc1ccc(NC(=O)c2ccc(Sc3nnc(-c4ccccn4)n3C)c([N+](=O)[O-])c2)cc1 481837279 MWJPWMDPHBAOAI-UHFFFAOYSA-N 446.492 4.497 5 20 IIBD O=C(NCCCOC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1[N+](=O)[O-] 482438748 MYOYGDNXUOEBOY-UHFFFAOYSA-N 431.920 4.049 5 20 IIBD CCn1c([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)nc2ccccc21 484944290 JEKFOWZSGGMWEF-AWEZNQCLSA-N 428.514 4.194 5 20 IIBD C[C@@H](C(=O)NC(C)(C)C)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 485715409 APEXVVZZOPFIME-KRWDZBQOSA-N 435.528 4.183 5 20 IIBD COC(=O)c1cc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)c(C)c([N+](=O)[O-])c1 485982526 SUJCCGNAQWYFLT-UHFFFAOYSA-N 439.424 4.126 5 20 IIBD O=C(c1ccc(N2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1)N1CCOCC1 486037667 MXLKGWQPNDBVOE-VSKRKVRLSA-N 435.524 4.230 5 20 IIBD CSc1cccc(C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)c1[N+](=O)[O-] 486481298 IIXWOGLEUSGMBU-OAHLLOKOSA-N 437.315 4.293 5 20 IIBD Cc1ccc(C[C@@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c2ccccn2)cc1 486821479 SCVHWRHHUCLCRX-OAQYLSRUSA-N 427.464 4.198 5 20 IIBD C[C@H](NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)C(=O)N1CCCC[C@@H]1C 487348794 ZHTZUOUFSSFOFX-HOTGVXAUSA-N 427.526 4.265 5 20 IIBD CCN(C(=O)c1cc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)ccc1Cl)C(C)C 487690021 JVJAAALPVXUWKU-UHFFFAOYSA-N 433.848 4.100 5 20 IIBD CNC(=O)c1cc(Oc2ccccc2NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccn1 487940304 CNHMYNQZAJQHRQ-UHFFFAOYSA-N 432.392 4.140 5 20 IIBD C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1 489480227 HNQPWOYQTBTOMG-MRXNPFEDSA-N 433.468 4.047 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 489535367 FVUJUOGVYNWFSG-UHFFFAOYSA-N 447.532 4.119 5 20 IIBD C[C@H](CC(C)(C)c1ccccc1)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 490230970 OQIANTZFQJEWNT-CYBMUJFWSA-N 435.427 4.007 5 20 IIBD O=C(Nc1nnc(/C=C\c2ccco2)s1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 490363961 HWWWHCFMKJEJFC-XQRVVYSFSA-N 440.359 4.403 5 20 IIBD CS(=O)(=O)c1cccc([C@H](NCc2ccccc2[N+](=O)[O-])c2ccc(F)cc2F)c1 493227494 JSUWTXWTPPCSBB-NRFANRHFSA-N 432.448 4.156 5 20 IIBD COCCN(Cc1ccc(Br)s1)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 494621699 TVKXNMDZIXDAJZ-UHFFFAOYSA-N 428.308 4.408 5 20 IIBD O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)C2)nc1 494937732 NKBFBRVSUPWMIV-INIZCTEOSA-N 432.406 4.085 5 20 IIBD COCCCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 502786162 XGDLTIGJZHYYPZ-BVJIBDCISA-N 426.517 4.308 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 504776059 PPPGMJGRYOPCMV-UHFFFAOYSA-N 447.373 4.010 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3ccc4c(c3)CC(=O)N4)cc2[N+](=O)[O-])n1 505965326 UGNBQWPTGBDNFW-UHFFFAOYSA-N 426.479 4.258 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(NC3CCN(Cc4coc(-c5ccccc5)n4)CC3)cc2N1 506797530 RVHIAEOKBAYJEI-UHFFFAOYSA-N 447.495 4.211 5 20 IIBD CCc1cc(N2CCN(c3cc(C)nc(C(C)C)n3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 507131878 GMLVETXCWNFYMU-UHFFFAOYSA-N 447.543 4.163 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(CC3CC3)nn2-c2ccccc2)cc1OC 507955322 ZJUGHMWVLVKOIW-UHFFFAOYSA-N 436.468 4.393 5 20 IIBD CCCNS(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCC)cc1 508615467 PNIHKHCCORKOFQ-UHFFFAOYSA-N 437.543 4.038 5 20 IIBD CCOc1ccc(NC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])cc1 509914109 RCGRKXVRXURTQZ-UHFFFAOYSA-N 429.454 4.290 5 20 IIBD Nc1c(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)cc(F)cc1[N+](=O)[O-] 511839888 UNMNHYHUISGIRJ-UHFFFAOYSA-N 431.427 4.099 5 20 IIBD Cc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 513586879 RZMWCOVBGKOSEN-SFHVURJKSA-N 437.525 4.030 5 20 IIBD CCc1cc(N2CCC[C@H](C(=O)Nc3ccccc3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 515582981 VSYBASZGOKVYEN-SFHVURJKSA-N 431.496 4.469 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)ccc2C)c1 516337875 VBCVMOCQRMPUNJ-HUUCEWRRSA-N 425.485 4.282 5 20 IIBD C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OCC(F)(F)F)cc1 516789610 NQWSZLXARBDTDX-SNVBAGLBSA-N 438.811 4.229 5 20 IIBD CCOc1cc(NC(=O)C(=O)N(CC)[C@@H](C)c2ccc(F)cc2)c([N+](=O)[O-])cc1OCC 518133676 AQBIJQUGWLSRGY-AWEZNQCLSA-N 447.463 4.080 5 20 IIBD CC(C)N(C)CC1CCN(C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 518866122 PKRHJUFAQDYVNC-OALUTQOASA-N 430.593 4.270 5 20 IIBD O=C(NCc1ccccc1COCc1ccccc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 520013333 WDXHJRZHVVTYCK-UHFFFAOYSA-N 442.475 4.427 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CCC(c3noc4cc(F)ccc34)CC2)cc([N+](=O)[O-])c1 521128009 NATFVCMVNBXTFW-UHFFFAOYSA-N 441.415 4.072 5 20 IIBD C[C@@H](Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C(=O)NC[C@H]1COc2ccccc2O1 522717301 TXZPVWMXSBMIDF-IERDGZPVSA-N 449.463 4.144 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N[C@H]2CCC[C@H]2Cc2ccccc2)cc1[N+](=O)[O-] 523093230 PDHRSQILPWJGIN-WMZOPIPTSA-N 437.525 4.016 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCCC[C@H]3c3ncon3)cc2[N+](=O)[O-])n1 523156408 UTKAVDGCTMIMII-ZDUSSCGKSA-N 431.499 4.261 5 20 IIBD CC(C)(C)OCc1cccc(CNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)c1 523549802 RAUUQIWFRQXXMI-UHFFFAOYSA-N 447.557 4.307 5 20 IIBD CC[C@@H](C)[C@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccc(Cl)cc1 524741437 CXSMDKJLNUXUFW-QRWLVFNGSA-N 431.924 4.262 5 20 IIBD COc1cc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC 525649783 YAHRVBNPIWBKLE-UHFFFAOYSA-N 447.919 4.004 5 20 IIBD CN(c1ccccc1)c1ccc(CNc2cccc(N3C(=O)CNC3=O)c2)cc1[N+](=O)[O-] 533211549 GBLDWZFQLSHLRG-UHFFFAOYSA-N 431.452 4.031 5 20 IIBD CC(=O)N1CC[C@@H](NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c2ccccc21 534573002 VWRHIQZVQSZCRP-HXUWFJFHSA-N 436.512 4.059 5 20 IIBD Cc1ccc(-c2csc(NC(=O)CCCn3c(=O)oc4ccccc43)n2)cc1[N+](=O)[O-] 536012304 YWFHRQHDLHEEHH-UHFFFAOYSA-N 438.465 4.354 5 20 IIBD O=C(CSc1cccs1)Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 536193504 RGFHYPAIUNVIJD-UHFFFAOYSA-N 429.479 4.345 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] 537438026 KGEIXZDTWBHSTE-WBVHZDCISA-N 435.402 4.313 5 20 IIBD Cn1cc(CNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(-c2ccccc2)n1 541071108 OVISLGWQXBYXMZ-UHFFFAOYSA-N 447.417 4.133 5 20 IIBD CCN(C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@@H](C)c1cccc(C(F)(F)F)c1 541097200 QNEXUYPLDNXTKS-AWEZNQCLSA-N 437.418 4.262 5 20 IIBD COc1ccc(NC(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1[N+](=O)[O-] 541103412 DMBVIYLEWSYNKM-UHFFFAOYSA-N 435.362 4.130 5 20 IIBD Cc1c([N+](=O)[O-])cnc(NCc2cccc(NC(=O)c3ccccn3)c2)c1Br 541591507 JLJPEUOKJMWCGF-UHFFFAOYSA-N 442.273 4.320 5 20 IIBD CCc1ccc([C@H](NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)c2ccc([N+](=O)[O-])cc2)o1 542494799 PGVYDWFXGWTUKX-UQBPGWFLSA-N 433.508 4.478 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 542590562 LVWXAFQZBHNECI-AWEZNQCLSA-N 431.539 4.151 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CCC[C@H](N2CCCC2=O)C1 542656477 RZKGEAXDQDCHRF-SFHVURJKSA-N 431.558 4.104 5 20 IIBD C[C@H](C(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1F 544523157 ZNEMABRNFCOXJD-AWEZNQCLSA-N 443.456 4.277 5 20 IIBD Cc1ccc(-n2cnnc2SCc2nc(Cc3ccccc3[N+](=O)[O-])no2)cc1Cl 544909390 WNAHUGTYVUINEQ-UHFFFAOYSA-N 442.888 4.403 5 20 IIBD Cc1cccc(N2C[C@@H](c3nc(Cc4c[nH]c5ccc([N+](=O)[O-])cc45)no3)CC2=O)c1C 546557968 REKLEACIRYDFPV-INIZCTEOSA-N 431.452 4.187 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 546626609 TWBYQUHPMJJGDH-KRWDZBQOSA-N 448.479 4.002 5 20 IIBD COc1cccc2[nH]cc(Cc3noc(CCOc4ccc(Cl)cc4[N+](=O)[O-])n3)c12 547161073 YAAUFVXMVPJGFI-UHFFFAOYSA-N 428.832 4.333 5 20 IIBD CCOC(=O)C1CCC(N(CC)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 549179006 QREKHDCAUZVARA-UHFFFAOYSA-N 429.420 4.172 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3nc(C4CCOCC4)cs3)cc2[N+](=O)[O-])CC1 553308828 XBGOSXSHKPJNAD-UHFFFAOYSA-N 430.530 4.434 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC(c2nc(Cc3cccnc3)no2)CC1 556314773 CCFBUSXAIXTMSG-UHFFFAOYSA-N 433.390 4.366 5 20 IIBD C[C@@H](c1ccc(F)cc1)S(=O)(=O)Cc1cc(I)cc([N+](=O)[O-])c1 558586355 ILNMHMHIHWPTKC-JTQLQIEISA-N 449.241 4.015 5 20 IIBD CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)c1 559829780 POJYJPSVWISMPL-UHFFFAOYSA-N 429.864 4.752 5 20 IIBD C[C@@H](C(=O)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2)c1ccc([N+](=O)[O-])cc1F 560123144 BUIMFZHVMWGYRK-SNVBAGLBSA-N 439.415 4.180 5 20 IIBD O=C(Nc1c(O)cc(Br)cc1Cl)c1cc(O)nc2ccc([N+](=O)[O-])cc12 560503966 DMZCWSUXWFVSTL-UHFFFAOYSA-N 438.621 4.222 5 20 IIBD CCc1c(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cnn1-c1ccc(Cl)cc1 570499437 ADNQQYBOCHKSJB-UHFFFAOYSA-N 428.832 4.020 5 20 IIBD Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 571533881 HEMLUDJHMRTKGX-WMLDXEAASA-N 442.903 4.365 5 20 IIBD C[C@@H](C(=O)NC1(c2cccc(Br)c2)CCOCC1)c1cccc([N+](=O)[O-])c1 573277847 LMVODMFOUYRSAN-CQSZACIVSA-N 433.302 4.283 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cnn(-c2ccc(C)cc2)c1C(C)C 579535177 CCOMENBZMITABI-UHFFFAOYSA-N 435.484 4.352 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3cc(C)c(OC)cc3Cl)CC2)ccc1[N+](=O)[O-] 581394170 XEXFXMSNJJLTKW-UHFFFAOYSA-N 448.907 4.318 5 20 IIBD COc1cc(C(=O)Nc2ccc3c(c2)N(CC(F)F)CCS3)c([N+](=O)[O-])cc1OC 581503864 IOKGLDPWJOQFFU-UHFFFAOYSA-N 439.440 4.042 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1(c2noc([C@H]3CCOC3)n2)CCCCCC1 582152268 MPMYACQYIJEHNS-INIZCTEOSA-N 443.504 4.415 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1-c1nc([C@@H]2CCC(F)(F)C2)no1 583467226 RERPNTGWICBEBO-MRVPVSSYSA-N 435.168 4.461 5 20 IIBD C[C@@H](c1cccc(Br)c1)N(CC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1F 583558012 OBEBVMVJMGRMEX-JTQLQIEISA-N 440.225 4.176 5 20 IIBD COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 583849261 RTUGVCRONGUWQV-GTNSWQLSSA-N 425.268 4.378 5 20 IIBD COc1cc(CNc2cccc(S(C)(=O)=O)c2)c([N+](=O)[O-])cc1OCc1ccccc1 600848666 HHSGFQUTYHXFHM-UHFFFAOYSA-N 442.493 4.198 5 20 IIBD C[C@@H](C(=O)Nc1ccc(NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)n1cncn1 600850821 BZSQAMUJEOUIJI-LBPRGKRZSA-N 434.378 4.017 5 20 IIBD COC(=O)C(C)(C)NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 603568131 BXGFQFLKJKIURR-NTCAYCPXSA-N 439.493 4.203 5 20 IIBD COc1cc(CCNC(=O)Nc2cccnc2Oc2ccccc2)c([N+](=O)[O-])cc1OC 603689980 VSFFILHJCBGPMP-UHFFFAOYSA-N 438.440 4.164 5 20 IIBD COc1cc(CCNC(=O)[C@@H](C)Oc2ccc(C(C)C)c(C)c2)c([N+](=O)[O-])cc1OC 603752899 WCAPAZHYGMMDNQ-MRXNPFEDSA-N 430.501 4.170 5 20 IIBD CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 603876021 MOEVQZJNKOHMFZ-AEFFLSMTSA-N 444.702 4.084 5 20 IIBD O=C(NCc1cccc(COCc2ccco2)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 603882238 IQSYKVOMIREDMG-UHFFFAOYSA-N 432.436 4.020 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCN(c3cc(Cl)ccc3C)C2)cc1OC 608818810 GJVKRZSYIKEHPW-HNNXBMFYSA-N 447.919 4.220 5 20 IIBD O=c1c(Cl)c(N2CCC(Cc3cccc(F)c3)CC2)cnn1-c1ccc([N+](=O)[O-])cc1 608830901 GLEAGYHZRGNQPF-UHFFFAOYSA-N 442.878 4.392 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)ccc1[N+](=O)[O-] 609690871 JVUKJQJRTXBXAP-UHFFFAOYSA-N 425.438 4.030 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)cc1C 609709118 YEQYFRYFRCMCTJ-QGZVFWFLSA-N 426.947 4.344 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc2c(=O)n3c(nc2c1)CCC3 609762923 SAVFIRNCRLWZJS-UHFFFAOYSA-N 442.431 4.296 5 20 IIBD O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 610775689 RCOMBOWSFAUWAP-KRWDZBQOSA-N 439.537 4.267 5 20 IIBD COc1ccc(C(=O)NCC(=O)N[C@H](c2cccc(Cl)c2)C2CCCC2)cc1[N+](=O)[O-] 610925737 NUYPVHNUCNYMHB-NRFANRHFSA-N 445.903 4.034 5 20 IIBD CCc1cc(N2CCC(C(=O)c3ccc(O)cc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 611101305 RIFFMXUXSITTDM-UHFFFAOYSA-N 432.480 4.419 5 20 IIBD COc1c(F)cc(S(=O)(=O)Nc2ccccc2SCC(F)(F)F)cc1[N+](=O)[O-] 614477188 JCNLXGGVLAZAJL-UHFFFAOYSA-N 440.396 4.198 5 20 IIBD CCn1ccc(CN(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)c1 616780777 UVKTWKRSFHMBTC-UHFFFAOYSA-N 444.538 4.226 5 20 IIBD O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1cc([N+](=O)[O-])ccc1Br 725985591 NVSUMVRHHUEVMG-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1nc2ccc(SC(F)F)cc2s1 727242554 AXYQVOUVCUABHR-UHFFFAOYSA-N 435.430 4.459 5 20 IIBD Cc1c(C(=O)Nc2ccccc2NC(=O)Cc2cccs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 730501909 WEKUAPXQHWGZPF-UHFFFAOYSA-N 440.437 4.306 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1C(=O)O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 731509811 IPNRYWQMHHGLIQ-KRWDZBQOSA-N 441.440 4.128 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)c([N+](=O)[O-])c1 731783621 SRCDAQUIBMBPJT-UHFFFAOYSA-N 425.894 4.048 5 20 IIBD CCCCc1ccc(C(=O)COC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 733558597 MFAJYISTQHHNIR-KRWDZBQOSA-N 444.509 4.030 5 20 IIBD Cc1cc(S(=O)(=O)Nc2nc3ccc(Br)cc3s2)ccc1[N+](=O)[O-] 734739415 ASNXQKWUEQYCSV-UHFFFAOYSA-N 428.289 4.076 5 20 IIBD CC(C)(C)OC(=O)NCc1nc(C(=O)OCc2ccc(Cl)cc2[N+](=O)[O-])cs1 734896722 RFSBVWTVHDQDJE-UHFFFAOYSA-N 427.866 4.086 5 20 IIBD O=C(OCc1csc(-c2ccc(F)cc2)n1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 735354190 PVOANHVRUPSENU-UHFFFAOYSA-N 425.397 4.468 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc([N+](=O)[O-])c1 735828083 FBJWXLDWKLEZEB-UHFFFAOYSA-N 428.404 4.244 5 20 IIBD CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 741978350 QQQYUKDXEYPGSW-UHFFFAOYSA-N 434.290 4.075 5 20 IIBD CCOc1cc(N2CCC(OC(=O)COc3cc(C)cc(C)c3)CC2)ccc1[N+](=O)[O-] 744201631 PNCFBXAXKUXZAP-UHFFFAOYSA-N 428.485 4.201 5 20 IIBD CC(C)(C)c1cnc(NC(=O)c2ccc(I)c([N+](=O)[O-])c2)s1 744372627 KGKRTTLJZZQTHF-UHFFFAOYSA-N 431.255 4.206 5 20 IIBD Cc1ccc(C(=O)OCC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1NC(=O)OC(C)(C)C 745454130 LMYQNSIDBXEAGE-UHFFFAOYSA-N 443.456 4.354 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cccc1[N+](=O)[O-] 745567229 GMLONRKMEPUVHE-JTQLQIEISA-N 441.318 4.014 5 20 IIBD C[C@H](OC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 745743576 QSNKWWIJXKLVIW-FVMDXXJSSA-N 445.230 4.035 5 20 IIBD C[C@@H](OC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1nc(-c2ccc(Cl)cc2)no1 746066501 ULNJEIHFBOGAIQ-GFCCVEGCSA-N 439.815 4.402 5 20 IIBD O=C(Nc1ccc(-n2cncn2)c(Cl)c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 749139135 VWEILMGLOYMSRW-UHFFFAOYSA-N 426.845 4.205 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cc([N+](=O)[O-])ccc1Br 751088324 FTXDOMOXDGOEGT-UHFFFAOYSA-N 432.133 4.119 5 20 IIBD CCC(=O)Nc1ccc(C(=O)COC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1 751633153 DGGBGEYQLCCDPP-UHFFFAOYSA-N 436.873 4.115 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccccc2SC(F)(F)F)cc1[N+](=O)[O-] 752134519 HKZXSXGBCRCJHY-LLVKDONJSA-N 427.404 4.331 5 20 IIBD COc1cccc(C(=O)O[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)n1 752573270 KPKFZFIPHJOTPZ-IBGZPJMESA-N 441.827 4.189 5 20 IIBD O=C(Nc1cccc(Cl)c1Br)c1cc([N+](=O)[O-])ccc1N1CCOCC1 753026578 ZFLNVAIIPSGGQT-UHFFFAOYSA-N 440.681 4.100 5 20 IIBD COc1ccc(C2=N/C(=C\c3ccc(OCC(F)(F)F)c(F)c3)C(=O)O2)cc1[N+](=O)[O-] 753986886 QCOOPZBBNLFVMD-QPEQYQDCSA-N 440.305 4.028 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@H](OC(C)(C)C)c1ccccc1 754313125 PPZHBHKXQYSVTN-AUUYWEPGSA-N 430.457 4.030 5 20 IIBD CCOCCOc1cc(C)ccc1CNC(=O)c1ccc(Br)c([N+](=O)[O-])c1 755442356 SUCCIHIGFWSHST-UHFFFAOYSA-N 437.290 4.011 5 20 IIBD Cc1c(Cl)cccc1NC(=O)COC(=O)Cc1ccc([N+](=O)[O-])cc1Br 756529807 UZUWOJGSHBQHMT-UHFFFAOYSA-N 441.665 4.044 5 20 IIBD Cc1nc(CC(C)C)c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)s1 756541910 OCQPIEDDURFGKM-UHFFFAOYSA-N 445.419 4.373 5 20 IIBD Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 756998883 QKYMBPYYJIVLCP-UHFFFAOYSA-N 428.828 4.471 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N[C@H](CCO)C1CC1 757080677 GIBYJVRQPNFWEP-XEYRCQSKSA-N 437.521 4.412 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cncc(-c2ccc(Cl)cc2)c1 758108022 CWAOPIAQIGURGE-UHFFFAOYSA-N 425.828 4.414 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(Cl)c(N2CCCC2=O)c1 760482631 GSEMPBQFQQULCV-UHFFFAOYSA-N 441.827 4.387 5 20 IIBD Cc1nccn1-c1ccc(-c2noc(-c3csc(-c4ccc([N+](=O)[O-])cc4)n3)n2)cn1 761909186 DGCDGVCFMGPCEV-UHFFFAOYSA-N 431.437 4.324 5 20 IIBD CC(C)(C)Sc1ccc(-c2noc(CSc3ccc(C(N)=O)cc3[N+](=O)[O-])n2)nc1 762386643 LPPJZEVSTQTZQW-UHFFFAOYSA-N 445.526 4.322 5 20 IIBD C[C@@H]1CCc2c(sc3nc(CCC(=O)OCCc4ccccc4[N+](=O)[O-])nc(O)c23)C1 762707454 ZGNRRSPOMPGHEL-CYBMUJFWSA-N 441.509 4.148 5 20 IIBD O=C(COC(=O)c1cc(F)c([N+](=O)[O-])cc1F)Nc1ccc(Oc2ccccc2)cc1 763444637 YBCWHCJOEGNMHD-UHFFFAOYSA-N 428.347 4.461 5 20 IIBD O=C(O)CCSCc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1 767155673 WHESMCKFSBQICH-UHFFFAOYSA-N 429.498 4.155 5 20 IIBD Cc1c(C(=O)N2CCC(OCc3ccccc3F)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 768900021 YYMGNHUJMPQSNQ-UHFFFAOYSA-N 431.420 4.080 5 20 IIBD CN(C(=O)c1ccncc1)c1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)cc1 770018526 YUXQKQOYTUOEBH-UHFFFAOYSA-N 439.859 4.242 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)ccc1NC(=O)OC(C)(C)C 772105087 HKBPIJQRJURYDB-UHFFFAOYSA-N 429.429 4.046 5 20 IIBD O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 773466150 HEHZIJIJRBRBHN-UHFFFAOYSA-N 431.145 4.101 5 20 IIBD CCCC[C@@H](OC(=O)c1sc(Br)cc1[N+](=O)[O-])C(=O)Nc1cc(C)on1 773614419 WGOMEKOQNZJUCS-SNVBAGLBSA-N 446.279 4.070 5 20 IIBD O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1cc([N+](=O)[O-])c2nsnc2c1 778234888 SDMYNPGIOVGLBD-UHFFFAOYSA-N 444.366 4.269 5 20 IIBD O=C(Cc1csc(Cc2ccc(F)cc2)n1)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 778798023 OHMFPRVYTZAWNH-HXUWFJFHSA-N 441.484 4.146 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)c1ccc2c(c1)CC(=O)N2C 780282257 GUEMIYOGCHHAFD-ZDUSSCGKSA-N 442.493 4.044 5 20 IIBD C[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccc(N2CCOC2=O)cc1 780479618 HCJQLFMVFLGAQX-OAHLLOKOSA-N 427.460 4.129 5 20 IIBD Cc1cc(Br)cc(Cl)c1NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781617502 CYRKRBJROZGFEJ-OAHLLOKOSA-N 438.665 4.451 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN[C@H](C)c2ccc3c(c2)CC(=O)N3C)cc1OC 782054075 WNHPHKIKLQBUEG-JKSUJKDBSA-N 441.528 4.398 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 782723393 HVEHVHBEFKWLGB-NEPJUHHUSA-N 444.435 4.154 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)C[C@H]21 784218566 FABYPNSPKBFGJQ-BPLDGKMQSA-N 427.448 4.326 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc(-c2ccncc2)nc2ccccc12 785417970 LDKHHXRENIWRCW-UHFFFAOYSA-N 442.431 4.309 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 787810424 YBXGYYNSVZDQCA-UHFFFAOYSA-N 439.390 4.317 5 20 IIBD Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 790132211 DRCDMGHPLYWCRX-UHFFFAOYSA-N 427.411 4.126 5 20 IIBD CCOCCC1(CNC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCC1 790777353 GJYNAPVJQSHVCS-UHFFFAOYSA-N 440.338 4.022 5 20 IIBD CCn1cc([C@H](O)CN(Cc2ccccc2)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cn1 792380682 YKMNDXPKTMXDSS-HSZRJFAPSA-N 447.495 4.202 5 20 IIBD COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 792969928 QTNWGKNYICBVOQ-FQEVSTJZSA-N 439.512 4.375 5 20 IIBD COc1cc(C(=O)O[C@@H]2C(=O)OCC2(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 793293447 KDIWQULIDHZGOW-QGZVFWFLSA-N 435.816 4.158 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)NS(=O)(=O)c2c(Cl)ccc(C)c2Cl)c1 793352506 NTCTUOABEGCPST-UHFFFAOYSA-N 435.310 4.051 5 20 IIBD C[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccc(N2CCCNC2=O)cc1 794927841 FRYKJNUJSCPXJV-LLVKDONJSA-N 437.283 4.312 5 20 IIBD O=C(c1ccc(Br)c([N+](=O)[O-])c1)N(CCc1ccccn1)Cc1cccnc1 797594942 YOJBCOOIFZUPIT-UHFFFAOYSA-N 441.285 4.032 5 20 IIBD O=C(COC(=O)COc1cc(Cl)ccc1Cl)Nc1cc([N+](=O)[O-])ccc1Cl 798092419 YFLFECXHZGXLOA-UHFFFAOYSA-N 433.631 4.116 5 20 IIBD COCCCCN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cn1 798243145 YCTZFGTYSUUDFI-IZZDOVSWSA-N 434.290 4.225 5 20 IIBD COC(=O)c1ccc(OC(=O)C(C)(C)c2csc(-c3cccs3)n2)cc1[N+](=O)[O-] 799987100 QVEGAMUXHBIAIC-UHFFFAOYSA-N 432.479 4.450 5 20 IIBD COc1ccc(-c2nc(C)c(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)s2)c(F)c1 800316868 PZSSXHWHGGXRAR-UHFFFAOYSA-N 430.413 4.214 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 800377500 WDJJFAXYVSRZMR-LEWJYISDSA-N 439.512 4.047 5 20 IIBD CCOc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)Nc1c(F)ccc([N+](=O)[O-])c1C 800614785 QAFYLTIDOJGYFN-QGZVFWFLSA-N 431.464 4.283 5 20 IIBD CCc1cc(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c2c(C(C)C)noc2n1 801456959 FRHLLFXLUMQZMI-UHFFFAOYSA-N 437.412 4.224 5 20 IIBD Cc1ccc(COc2cccc(NC(=O)C(=O)N(C)CCc3cccc([N+](=O)[O-])c3)c2)cc1 802613668 LAWUPUDHLIRDNA-UHFFFAOYSA-N 447.491 4.122 5 20 IIBD O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 802905942 GISDYAALSJWIMG-UHFFFAOYSA-N 433.380 4.211 5 20 IIBD O=C(c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O)N1CC[C@H]1c1ccc(Cl)cc1 804373313 YCVYFPWXAPQQRX-AWEZNQCLSA-N 433.251 4.380 5 20 IIBD Cc1ccc(CS(=O)(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 808280037 CKEFSXGJWKMIQO-UHFFFAOYSA-N 426.450 4.064 5 20 IIBD CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 811216538 NGNVCPRLZLLGSC-GDBMZVCRSA-N 431.514 4.046 5 20 IIBD COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1Cl 811831791 HAHYXUOMBXFWPQ-JTQLQIEISA-N 435.285 4.116 5 20 IIBD CCOC(=O)c1ccc2c(c1)N(C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])CCO2 813233368 JFDVCHJXUKPFKE-UHFFFAOYSA-N 425.224 4.118 5 20 IIBD C[C@H]1CN(Cc2cccc(CNC(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])c2)CCO1 813422526 FWSUTVPXKGUXJK-ZDUSSCGKSA-N 438.311 4.052 5 20 IIBD COc1cc(C(=O)N2CCC[C@@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)ccc1[N+](=O)[O-] 814427124 CPHQNASBGQXHKZ-MSOLQXFVSA-N 447.532 4.103 5 20 IIBD CC(C)(NC(=O)c1cnn(-c2ccccc2)c1Br)c1ccccc1[N+](=O)[O-] 817038151 GGDODSYGRVKYHA-UHFFFAOYSA-N 429.274 4.208 5 20 IIBD C/C(=C\C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)c1ccc(C(F)(F)F)cc1 819211640 CTSKMFZRZHYJFJ-CCEZHUSRSA-N 447.413 4.002 5 20 IIBD Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)O[C@@H](C)C(=O)N2CCCCC2)n1 849132703 PXOUEPJAUJRNKH-ZDUSSCGKSA-N 435.527 4.069 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(F)cc1 900676841 LKXCXPQUIGPUCY-UHFFFAOYSA-N 436.395 4.069 5 20 IIBD O=C(Nc1cc(F)ccc1OCC(F)(F)F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 915341190 OONCQGXBWUHPAR-UHFFFAOYSA-N 442.369 4.029 5 20 IIBD O=c1c2ccccc2nc(SC[C@@H](O)c2cccc(F)c2)n1-c1ccc([N+](=O)[O-])cc1 916977415 HIYIGMUIUWBKCF-HXUWFJFHSA-N 437.452 4.259 5 20 IIBD Cc1cc(C(=O)Cn2cc(Br)c([N+](=O)[O-])n2)c(C)n1Cc1ccc(F)cc1 917569371 OVZBNEBEWVYPSE-UHFFFAOYSA-N 435.253 4.042 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(OC(F)(F)F)c2)cc1Br 918156308 RQJDKJLJIXUEKJ-UHFFFAOYSA-N 441.181 4.057 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2Cl)c1 920278612 LBTDBRGEQMGZLN-UHFFFAOYSA-N 441.875 4.494 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Cl)Nc1cc(C2CC2)nn1-c1ccccc1 1115831171 QSHBXGLVGDLNDF-UHFFFAOYSA-N 440.843 4.107 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)o2)C1 1117251072 FASJBDMCKAJBFQ-OAHLLOKOSA-N 443.504 4.360 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)c2cc(Br)c(Br)[nH]2)cc1[N+](=O)[O-] 1120697990 COCCMUQKQLNBSP-MRVPVSSYSA-N 431.084 4.247 5 20 IIBD COc1ccc(-c2nnc(N(C)Cc3ccccc3[N+](=O)[O-])n2C[C@H]2CCCCO2)cc1 1256729083 KDABVKKRPFJDFP-HXUWFJFHSA-N 437.500 4.067 5 20 IIBD COc1ccc(-c2cc(NC(=O)COc3ccc([N+](=O)[O-])c(F)c3)ccc2OC)cc1 1318036612 FGQKTUNPGDIZDT-UHFFFAOYSA-N 426.400 4.436 5 20 IIBD O=C(COC(c1ccccc1)c1ccccc1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1318078500 VOLGHLGIZXSNGD-UHFFFAOYSA-N 445.519 4.045 5 20 IIBD O=C(Nc1cnn(Cc2cccnc2)c1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 1318249630 AZIDAEOQFCVJAF-UHFFFAOYSA-N 428.452 4.099 5 20 IIBD COC(=O)[C@@H]1CCC[C@H]1NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 1321213133 JVTZQHLNTCUNFN-GDBMZVCRSA-N 434.901 4.471 5 20 IIBD Cc1cc(C)cc(OCc2nnc([C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)o2)c1 1322689385 YVQWPQOOOBMMQE-HNNXBMFYSA-N 428.470 4.212 5 20 IIBD Cc1cncc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])[nH]4)CCC3)cc2)c1 1786856491 PPMYHMZVGPQXST-UHFFFAOYSA-N 447.495 4.007 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@H]3C[C@@]3(F)Cl)cc2)CCC1)c1cccc(F)c1[N+](=O)[O-] 1791676303 DIAQGMHIGWOWDY-VFNWGFHPSA-N 449.841 4.406 5 20 IIBD O=C(CCc1ccoc1)Nc1ccc(C2(NC(=O)Cc3cccc([N+](=O)[O-])c3)CCC2)cc1 1791954525 VTHUYVWLALOTOI-UHFFFAOYSA-N 447.491 4.497 5 20 IIBD O=C(CCC1CCC1)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3cccc([N+](=O)[O-])c3)CCC1)C2 1793375271 JZKXZPKIIGJNIS-WKCHPHFGSA-N 439.556 4.235 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)[nH]n1)C1CCCCC1 1816703025 OSCGRBAXVGUKEB-SXAWMYDMSA-N 441.488 4.197 5 20 IIBD CC(C)=CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C)c([N+](=O)[O-])cn2)n[nH]1 1818264738 ZHPMATIWQXHHKA-GOSISDBHSA-N 440.504 4.074 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@]2(C)C[C@H]2C)[nH]n1 1821286670 DLZBGZNDXMPJHL-WAQMSGSHSA-N 443.479 4.117 5 20 IIBD O=C(COC(=O)c1ccc2ncsc2c1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 8940147 JSWKVIQIESIJAR-UHFFFAOYSA-N 425.344 4.019 5 20 IIBD C[C@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)Nc1ccc(N2CCOCC2)cc1 10318478 RJPKKPSVWGKUOI-ZDUSSCGKSA-N 444.538 4.160 5 20 IIBD C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)OC(=O)Cn1c2ccccc2c(=O)c2ccccc21 10722767 TZNIGXMVVANUSM-ZWKOTPCHSA-N 440.499 4.064 5 20 IIBD CCOC(=O)c1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc3ccccc3c2)cc([N+](=O)[O-])c1 10856895 URYLQAKPDHPXLY-AWEZNQCLSA-N 436.420 4.109 5 20 IIBD Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 14667607 RNXGIIDQECBVTD-UHFFFAOYSA-N 444.850 4.313 5 20 IIBD Cc1ccc(F)c(NC(=O)c2ccc(OS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)c1 15568169 QTIZNAGMVZUBLF-UHFFFAOYSA-N 444.440 4.371 5 20 IIBD CN(C)C(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2-c2cccs2)cc1 16325123 GXUSZOAKYSRGCX-UHFFFAOYSA-N 425.466 4.043 5 20 IIBD C[C@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 17893254 QDQGXBSHFROWEI-NSHDSACASA-N 444.904 4.356 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2sc3cccc(F)c3c2C)c([N+](=O)[O-])c1 18458042 IVKYDLMEAZTJAT-NSHDSACASA-N 432.429 4.450 5 20 IIBD O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1cc2ccccc2s1 18701368 TXVVRYODVYXRRS-UHFFFAOYSA-N 445.503 4.351 5 20 IIBD CCCCn1c(S[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nc2ccccc2c1=O 21680861 ZHLBPIZZUUVVAS-CYBMUJFWSA-N 444.488 4.363 5 20 IIBD CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nc3cc4ccccc4cc3c(=O)n2C)c1C 22253268 NQSUYHLAVUAHKV-UHFFFAOYSA-N 449.532 4.183 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(Cc1cccc(Br)c1)C1CC1 26836803 WIDROXCJIGEBMG-UHFFFAOYSA-N 425.304 4.019 5 20 IIBD Cc1cc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)n(-c2ccc([N+](=O)[O-])cc2)n1 57722047 KAUOOWBZLINVAS-UHFFFAOYSA-N 427.269 4.197 5 20 IIBD C[C@@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccccc2)c1 62047543 BJKREACYZSZANW-QGZVFWFLSA-N 447.495 4.319 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1cccc(NC(=O)C2CCC2)c1 64420294 NKUBKHILLZCZQH-ZDUSSCGKSA-N 431.876 4.071 5 20 IIBD O=C(Nc1cccc(C(=O)N2CCSCC2)c1)c1cc2cc([N+](=O)[O-])ccc2s1 64431777 PEFADKOYGBYNQU-UHFFFAOYSA-N 427.507 4.251 5 20 IIBD O=C(Nc1cccc(C(=O)OCc2ccccc2)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 78557358 OCQVFOGSXQGMOQ-UHFFFAOYSA-N 442.431 4.390 5 20 IIBD Cc1cc(C(=O)NCC(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)ccc1[N+](=O)[O-] 217042447 VOSOQUFHZVJKMW-XMMPIXPASA-N 443.459 4.285 5 20 IIBD O=C([C@@H](Cc1ccccc1)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCCC1 237926980 ILBUVLQCLNUYIN-OAQYLSRUSA-N 436.537 4.042 5 20 IIBD O=[N+]([O-])c1c(Sc2nnc(-c3ccc(F)cc3)n2Cc2ccco2)nc2sccn12 301723361 SAONVALQDOTTHR-UHFFFAOYSA-N 442.457 4.494 5 20 IIBD O=C(NC1CC1)c1ccc(N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c([N+](=O)[O-])c1 302153444 IGEZZKPSGUNBOD-IBGZPJMESA-N 435.402 4.084 5 20 IIBD CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1(C)C 303807184 HUSITWYJUYTVQM-IPHXSNPTSA-N 426.517 4.439 5 20 IIBD O=C([C@H]1C[C@@]12CCc1cc(Br)ccc12)N1CCc2ccc([N+](=O)[O-])cc2C1 409796938 LIIDOKJJDHFODM-TZIWHRDSSA-N 427.298 4.146 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2cc(Cl)ccc2Cl)cc1OC 409833138 MCUMDOYJFSIPBL-NSHDSACASA-N 443.283 4.426 5 20 IIBD CN(C)[C@H]1CCCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 430385471 IWIDKFVCKYVQBG-HNNXBMFYSA-N 444.919 4.057 5 20 IIBD CCN(CC)[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccsc1 431163199 MVSNKSWEERMGGF-INIZCTEOSA-N 426.336 4.232 5 20 IIBD CC(C)(NC(=O)Nc1ccc(CCN2CCSCC2)cc1)c1ccc([N+](=O)[O-])cc1 431411034 VSNCJQIWAOSIAH-UHFFFAOYSA-N 428.558 4.243 5 20 IIBD COc1ccc(Br)cc1[C@H]1CCCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] 433944580 WSHKCIVEPTYSBC-CYBMUJFWSA-N 437.294 4.190 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCN(C(=O)CCc2ccccc2)CC1 434979258 ROWZBZFERNPDOU-UHFFFAOYSA-N 425.529 4.049 5 20 IIBD Cc1c(C)c(C)c(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c(C)c1C 435288747 KVHYTFALYQGZLM-SFHVURJKSA-N 429.542 4.119 5 20 IIBD CN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(C1CC1)C1CC1 435480007 DWOKTKLFPNTEFR-UHFFFAOYSA-N 431.539 4.393 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ccc(Sc2ccncc2)cc1 435783384 XBAUAPDKCVSIAG-UHFFFAOYSA-N 442.884 4.163 5 20 IIBD O=C(Nc1ccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1)NC1CC1 435949147 KRKGTQGNNZMQLN-UHFFFAOYSA-N 448.429 4.496 5 20 IIBD O=C(NCc1ccccc1-n1cccn1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436316696 JKHOLOOMMQEFDD-UHFFFAOYSA-N 430.414 4.075 5 20 IIBD O=C(NCCOc1ccc(F)c(F)c1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436435717 YIZBSCXUQRBBMZ-UHFFFAOYSA-N 430.357 4.047 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(OCc2ccccc2)cc1C 439849325 YWMZQWJBPRWRCH-UHFFFAOYSA-N 449.463 4.458 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1F)N(C[C@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F 440420383 MKQIREZGUCGZDR-INIZCTEOSA-N 439.409 4.261 5 20 IIBD CC[C@]1(C)Oc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2O1 443577896 RZALKHMXXUONHP-WZONZLPQSA-N 439.468 4.044 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)cc1C 443734465 RBHDGFIECIXCTQ-CQSZACIVSA-N 433.461 4.060 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCC[C@H]2c2ccc(C)cc2)cc1OC 443898564 RETONMSLNLQGDL-ICSRJNTNSA-N 442.512 4.345 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N(Cc1ccccc1)C[C@@H]1CCCO1 446108433 MSEWGQMSSFLSBV-ZDUSSCGKSA-N 425.304 4.240 5 20 IIBD COc1ccc(-c2n[nH]c(CNc3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])n2)cc1 447671750 RHFCUYMDMHLKEP-UHFFFAOYSA-N 444.320 4.050 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N(C)c2nc3ccccc3n2C)cc1[N+](=O)[O-])c1ccccn1 461295661 XTXZBGKPAUXRAS-OAHLLOKOSA-N 430.468 4.326 5 20 IIBD COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(-c3ccccc3OC)cc2)c([N+](=O)[O-])c1 462495406 OWBHCNCPYFRHCZ-OAHLLOKOSA-N 442.493 4.319 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(C)cc1OC[C@@H]1CCCO1 462631963 OZUFBBSGEXDJMX-UGKGYDQZSA-N 426.513 4.346 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 464035723 XZUZMXDJUWTLIE-UHFFFAOYSA-N 436.443 4.086 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(N)=O)cc1OCC(F)F 464706259 BRPLKBBCHHTZGB-UHFFFAOYSA-N 439.440 4.090 5 20 IIBD C[C@H](O)CCN(C)C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 464744395 JASWPNOYHABHDU-XOAFGZPJSA-N 425.510 4.365 5 20 IIBD Cc1cc(OCc2ccccc2)ccc1NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 465135125 WZRPTYPFIGMRCP-UHFFFAOYSA-N 434.448 4.435 5 20 IIBD C[C@H](NC(=O)N1C[C@@H](CC(=O)N(C)C)c2cc(Cl)ccc21)c1cccc([N+](=O)[O-])c1 465644783 BLOVWMYDMOKFSY-DZGCQCFKSA-N 430.892 4.101 5 20 IIBD C[C@H](NC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl)c1cccc([N+](=O)[O-])c1 465647704 ZHZLOYTWWGFHOC-JTQLQIEISA-N 432.786 4.101 5 20 IIBD COc1cc(CNC[C@]2(C)CCO[C@@H]2C2CC2)c([N+](=O)[O-])cc1OCc1ccccc1 466451513 JWJRUZLLDGJBNO-RPWUZVMVSA-N 426.513 4.477 5 20 IIBD COc1cc(CNC[C@]2(C)CCO[C@H]2C2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 466454189 KSXDNUPXUVXHOI-ZEQRLZLVSA-N 426.513 4.477 5 20 IIBD Cc1sc(S(=O)(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1[N+](=O)[O-] 466957273 YLFQXEYQIGEAAW-UHFFFAOYSA-N 441.874 4.264 5 20 IIBD CCc1ccc(-c2noc([C@H](C)NC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)n2)cc1 467220699 XSZOGURCTOFCEJ-LBPRGKRZSA-N 429.864 4.421 5 20 IIBD C[C@H](C[S@](C)=O)N(C)C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 468287078 IFSWXCCVKFVCCC-MUDIAHQHSA-N 426.947 4.238 5 20 IIBD CCOc1cc(CNc2cnoc2C)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 468519924 XQCKAHOHQCNQGS-UHFFFAOYSA-N 441.440 4.348 5 20 IIBD Cc1ccc(NC(=O)c2cnc(O)c([N+](=O)[O-])c2)cc1Oc1ncccc1Br 468604670 AFPQPXFRXRSWQU-UHFFFAOYSA-N 445.229 4.206 5 20 IIBD COC[C@@H](C)Oc1ccc(Cl)cc1N[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 469104367 XXJPTVXQFBSENB-CHWSQXEVSA-N 437.880 4.110 5 20 IIBD CCOc1ccc(-c2nc(CC(=O)Nc3ccc4cc([N+](=O)[O-])ccc4n3)cs2)cc1 469132590 VHLLQLLZLJKLJZ-UHFFFAOYSA-N 434.477 4.846 5 20 IIBD CC(C)CCSc1ccc(C(=O)NCc2ccc(S(C)(=O)=O)s2)cc1[N+](=O)[O-] 469519388 RTJKAKJYPQNXBP-UHFFFAOYSA-N 442.584 4.128 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC(O)(Cc2cccc(F)c2)CC1 474822526 ABHVZAFLESIRPX-UHFFFAOYSA-N 441.484 4.067 5 20 IIBD CC[C@H](C)Sc1ccc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c(C)c1 476762594 DBMUPSRPOAGZRI-ZDUSSCGKSA-N 438.527 4.366 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@H](c2ccc(F)cc2Cl)C1 477190877 UHXUXUAPOUVQIW-SFHVURJKSA-N 442.274 4.366 5 20 IIBD CCN(C[C@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1)CC(F)(F)F 477255070 LECBIOFJYPSLJQ-CYBMUJFWSA-N 442.463 4.065 5 20 IIBD CCOc1cc(N2CCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)ccc1[N+](=O)[O-] 477377558 WKBPLVJEKDMIIU-UHFFFAOYSA-N 436.512 4.146 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1ccc(Cl)cc1I 477780498 WPAFTCBTTXVRDR-UHFFFAOYSA-N 434.592 4.173 5 20 IIBD CCn1nc(C)c([N+](=O)[O-])c1NCc1ccccc1CN1CCN(c2ccccc2)CC1 479924018 ALXPPHNPPNSCGH-UHFFFAOYSA-N 434.544 4.054 5 20 IIBD CCN([C@@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] 481458317 ZMDGBUKCJIGPTI-QFIPXVFZSA-N 441.509 4.107 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCOc1ccc(C(F)(F)F)cn1 481686709 BPZPZQGIHLUUAU-GFCCVEGCSA-N 429.420 4.075 5 20 IIBD CCn1c(COc2ccc(Cl)cc2)nnc1Sc1nc2sccn2c1[N+](=O)[O-] 481828495 BWVJLMBHPZBJER-UHFFFAOYSA-N 436.906 4.299 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2csc(Br)c2)cc1SC 483328848 XLZJIVMPDKKIID-UHFFFAOYSA-N 431.333 4.422 5 20 IIBD CCOC(=O)c1csc([C@H]2CCCN2Cc2cc([N+](=O)[O-])ccc2OC(F)F)n1 483420634 KXUIIUFXGNHQCM-CQSZACIVSA-N 427.429 4.167 5 20 IIBD O=C(c1cc(Br)ccc1Br)N1CCc2cc([N+](=O)[O-])ccc21 484102584 SHVFRUTZSXZILL-UHFFFAOYSA-N 426.064 4.323 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)N[C@H]1CCCC[C@H]1Cc1ccccc1 484117403 VULSFRYXKDSBQM-RDJZCZTQSA-N 447.438 4.052 5 20 IIBD COCC(C)(C)N(Cc1ccccc1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 484459844 QTMJXZQPGHHACE-UHFFFAOYSA-N 425.529 4.265 5 20 IIBD CC[C@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)Oc1ccccc1F 484830020 KZESVYTZZZPVEH-OAHLLOKOSA-N 432.839 4.203 5 20 IIBD CC(=O)N1CCN(c2ccccc2CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 485404531 ADHQBQXSDXEQQK-UHFFFAOYSA-N 449.486 4.077 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccc(OC)c(OC(F)F)c1 486294185 UNZFGCDSNDOACO-UHFFFAOYSA-N 426.441 4.289 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](Oc2ccccc2Cl)C1 489124469 CHRIXKDGGCSALP-OAHLLOKOSA-N 436.917 4.280 5 20 IIBD C[C@@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 489947239 RZCGVKKYKMWCOG-KUHUBIRLSA-N 437.418 4.328 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 490397598 GIDZMZZEHKSHDW-UHFFFAOYSA-N 427.460 4.254 5 20 IIBD CCc1ccc([C@H](NCCc2ccc([N+](=O)[O-])cc2)c2cccc(S(C)(=O)=O)c2)cc1 491023645 RNEVVUFDOZRNRE-DEOSSOPVSA-N 438.549 4.482 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C 491586264 LPDYVPGOBUHNEH-AWEZNQCLSA-N 445.541 4.193 5 20 IIBD COc1cc(CN[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])cc1OC(F)F 493926278 OBTVJBFDVXFLIM-KSSFIOAISA-N 430.354 4.103 5 20 IIBD CN1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3Cl)CC[C@@H]21 493946687 IRUIQIXERHIOOZ-JTSKRJEESA-N 442.947 4.417 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(Cc1cccc(F)c1)C[C@H]1CCCO1 497063387 KRUJTLWWTSCTTF-RDTXWAMCSA-N 436.867 4.362 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2nc(-c3cccs3)ns2)cc1[N+](=O)[O-] 497987611 YGGIIJXICBCGIT-UHFFFAOYSA-N 425.289 4.498 5 20 IIBD CS(=O)(=O)c1ccc(F)c(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1 500397080 BGXXAYVFQJCFHQ-UHFFFAOYSA-N 438.864 4.341 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(CN3CCC[C@H](C)C3)cc2)cc([N+](=O)[O-])c1 500796259 QMWOHDBCNWSTGJ-INIZCTEOSA-N 425.485 4.256 5 20 IIBD CCOc1cc(CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)ccc1OC(F)F 502249260 NOQUFADXAPFYAL-LBPRGKRZSA-N 426.441 4.392 5 20 IIBD Cc1sc(S(=O)(=O)Nc2ccc(Br)c3cccnc23)cc1[N+](=O)[O-] 509380696 XTHBHGGQOQYFEJ-UHFFFAOYSA-N 428.289 4.076 5 20 IIBD CCN(Cc1cccc(F)c1)C(=O)c1ccc([N+](=O)[O-])cc1I 511092442 SNYQXVRYSNPERM-UHFFFAOYSA-N 428.201 4.001 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C(=O)N[C@](C)(c2ccc(F)cc2Cl)C1=O 511108895 NLTQRCKXLQLXSD-HXUWFJFHSA-N 435.839 4.142 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@H](c3ccnn3C)C2)c([N+](=O)[O-])c1 511142953 BWFBWZHBHPTEFW-CVDCTZTESA-N 433.512 4.196 5 20 IIBD C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1Cl 515441254 XWTKIPBNFWMMDT-CQSZACIVSA-N 431.876 4.280 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)cn2)cc1C 516441688 QPERDRYZNDLYBL-INIZCTEOSA-N 434.452 4.215 5 20 IIBD CN(Cc1ccccc1N1CCOCC1)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 517637847 IRMXJHOXMAZUPB-UHFFFAOYSA-N 447.491 4.496 5 20 IIBD C[C@H](NC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1)c1cccc([N+](=O)[O-])c1 517809805 VDACPDDJVKAYOY-UGSOOPFHSA-N 434.290 4.201 5 20 IIBD O=C(C1CC1)N1CCC(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 518270161 YDQRLRSBBLBYFR-UHFFFAOYSA-N 448.317 4.108 5 20 IIBD C[C@@H](Cc1ccsc1)NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 518351353 QGWDWHUZRRNTSS-ZDUSSCGKSA-N 442.463 4.138 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCN(C(=O)C2CCCCC2)CC1 520656729 NADVQYFRLDPFJN-UHFFFAOYSA-N 437.496 4.252 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H]3CC[C@H](C)CC3)cc2)cc1[N+](=O)[O-] 521730766 SRVUSIMZZMLAAA-CZIWCDLHSA-N 431.514 4.013 5 20 IIBD Cc1c(C(=O)N2CCc3c2cccc3[N+](=O)[O-])cnn1-c1cccc(Br)c1 523128990 CPVCIWXXYFFUMT-UHFFFAOYSA-N 427.258 4.054 5 20 IIBD O=C(c1cccc2ccccc12)N1CCC(C(=O)N2CCc3c2cccc3[N+](=O)[O-])CC1 523129994 DQIQEVRVTTZZON-UHFFFAOYSA-N 429.476 4.190 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c1 523557204 GKDASHXIGCRGBG-HNNXBMFYSA-N 442.541 4.064 5 20 IIBD O=C(CSc1cccs1)Nc1ccc(C(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 524211413 TUWARPIUQBEDRI-UHFFFAOYSA-N 427.507 4.317 5 20 IIBD COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc([N+](=O)[O-])c1OC 525020152 PWLWNDZSNGBIRF-UHFFFAOYSA-N 439.390 4.483 5 20 IIBD O=C(CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1c(Cl)cc(Cl)cc1Cl 532707249 SAKKLGROJHGQKQ-LLVKDONJSA-N 444.706 4.075 5 20 IIBD Cc1cc(C)cc(NC(=O)[C@H](C)[S@@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1 534062967 WXVIPHXKGXQMGN-JGVYIQDASA-N 427.482 4.143 5 20 IIBD Cc1cccc(OCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)c1[N+](=O)[O-] 534400978 XJCNNRGRLSWPTJ-UHFFFAOYSA-N 440.477 4.348 5 20 IIBD O=C(c1cc(I)cc([N+](=O)[O-])c1)N(CC(F)F)c1ccccc1 535039696 GQTNXDVDMDKCAK-UHFFFAOYSA-N 432.164 4.111 5 20 IIBD COc1cc(CN2CC[C@]3(CCCN(Cc4ccccc4)C3)C2)c([N+](=O)[O-])cc1OC 536675367 HRCOCAOVDMZYKL-DEOSSOPVSA-N 425.529 4.100 5 20 IIBD CCc1nc2ccccc2n1C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 536757516 OLZLPTUIAHWUIJ-UHFFFAOYSA-N 448.932 4.186 5 20 IIBD O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1cc(Br)cc([N+](=O)[O-])c1 538048794 FJXWJMJNLKGQDD-HZPDHXFCSA-N 443.656 4.410 5 20 IIBD C[C@H](c1ccccc1)N1CC[C@H](Nc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)C1 540284483 GEEUBDPERFVCIF-WBVHZDCISA-N 439.903 4.042 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(c2nc(CC)ns2)CC1 540755126 YGWNOLIKYVTYKX-UHFFFAOYSA-N 449.602 4.253 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1nc2c(F)cccc2n1C 540773694 SSHLHERKCMBLRF-UHFFFAOYSA-N 430.505 4.485 5 20 IIBD O=C(N=c1nc(Cc2ccc(F)cc2F)[nH]s1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 541649013 SZTJLBBZFSLTKX-UHFFFAOYSA-N 444.341 4.008 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@H]1COCCN1Cc1ccc([N+](=O)[O-])cc1Cl 542041124 JJSATNHWZIKRTH-MRXNPFEDSA-N 432.830 4.197 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@@H](c2ccc(CC(C)C)cc2)C(C)C)cc1[N+](=O)[O-] 542078439 QEDDCHCTOWSFGG-OAQYLSRUSA-N 427.501 4.254 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N(C)CC(=O)Nc2c(Cl)cccc2Cl)c1Br 542520172 QNAUMOCQVRTOIZ-UHFFFAOYSA-N 448.104 4.442 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(CN2CCOCC2)c(Cl)c1 543204817 YCSBGHRLTLBBEB-AWEZNQCLSA-N 435.933 4.200 5 20 IIBD CCc1ccc([C@@H](Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)c2ccc([N+](=O)[O-])cc2)o1 543428134 LACPBZUOYDYPQJ-UPVQGACJSA-N 448.523 4.401 5 20 IIBD O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 544455647 UWUKVVZLLQSZNS-RDTXWAMCSA-N 442.365 4.325 5 20 IIBD Cc1cc(=O)c(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)nn1-c1cccc(C(F)(F)F)c1 546259775 KRLBQODUERVBPA-UHFFFAOYSA-N 443.341 4.185 5 20 IIBD Cn1ccnc1SCc1cccc(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)c1 546383092 CQGKGYAFKSLOGS-UHFFFAOYSA-N 436.497 4.325 5 20 IIBD O=c1oc2cc([N+](=O)[O-])ccc2n1CCCc1nc(Cc2ccc(Cl)cc2Cl)no1 546961443 MASPDATYQIWOLG-UHFFFAOYSA-N 449.250 4.416 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1ccc(CN2CCCC2)cc1)c1ccccc1[N+](=O)[O-] 549024838 UMRGQSRQMAYCGU-NRFANRHFSA-N 439.512 4.003 5 20 IIBD NC(=O)c1cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(Cl)cc1Cl 550075358 YYPZWMSEZFHFNH-UHFFFAOYSA-N 440.286 4.199 5 20 IIBD O=C(Nc1cccc(Cl)c1)c1ccc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)nc1 552697182 WCDXPQORHCJSEB-UHFFFAOYSA-N 437.887 4.222 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)cc1[N+](=O)[O-] 553620644 UWVZELOLJXNMJW-ZFWWWQNUSA-N 439.438 4.306 5 20 IIBD COc1cc(Cl)c(Br)cc1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] 557077024 LFBSICMNKFGELV-UHFFFAOYSA-N 427.682 4.334 5 20 IIBD C[C@]1(C2CC2)NC(=O)N(c2cccc(CNc3ccc([N+](=O)[O-])cc3C(F)(F)F)c2)C1=O 557671547 VNJRCJCBLHMUPY-HXUWFJFHSA-N 448.401 4.451 5 20 IIBD COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1OC[C@H](O)Cc1ccc(C(F)(F)F)cc1 559282679 RFLIJQUKBHCUKN-CYBMUJFWSA-N 433.766 4.036 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CCC(O[C@@H]3CCOC3)CC2)cc1 560568314 XBAXLABWECOUPK-XMMPIXPASA-N 448.523 4.217 5 20 IIBD O=C(NC[C@H](CO)c1ccccc1Cl)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 564025200 BGLGEPVMURQVSE-GFCCVEGCSA-N 442.849 4.119 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ncnc3scc(-c4ccccc4)c23)ccc1[N+](=O)[O-] 565749380 UGNSMJNQCPWRAX-UHFFFAOYSA-N 426.479 4.376 5 20 IIBD O=C(NCCC1(O)CCOCC1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 573032926 HMPBEWLWWLKGJZ-UHFFFAOYSA-N 436.917 4.061 5 20 IIBD COc1cccc(Cc2nnc(S[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)o2)c1 576602693 GDKYKQSBVAVDEZ-GFCCVEGCSA-N 439.453 4.481 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cccc(Cl)c2OCC(F)F)cc([N+](=O)[O-])c1 577422105 XOASFBMGRCYCBX-UHFFFAOYSA-N 428.775 4.321 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(=O)OC)c(Br)cc2C)c1 581572770 OUDPVBUOFBBAHR-UHFFFAOYSA-N 437.246 4.103 5 20 IIBD CCc1nc(CN2CCC(CNC(=O)Nc3cc([N+](=O)[O-])ccc3CC)CC2)cs1 582875447 XORYFGOFEPWCCB-UHFFFAOYSA-N 431.562 4.210 5 20 IIBD COc1ccc(CC(=O)Nc2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1[N+](=O)[O-] 582880540 AFHIIZDKXUOWFS-UHFFFAOYSA-N 438.337 4.128 5 20 IIBD CN(C)CCNC(=O)c1ccc(NCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)cc1 600859724 DHRGRRYMBKFJLX-UHFFFAOYSA-N 447.539 4.266 5 20 IIBD COCCN(C(=O)c1ccc(N(C)C)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603461422 PUTPOKIGJJLOSO-UHFFFAOYSA-N 426.498 4.078 5 20 IIBD CCOc1cc(NC(=O)N(C)CC(=O)Nc2cccc(C)c2C)c([N+](=O)[O-])cc1OCC 603651312 GIDKKRBKKSYISO-UHFFFAOYSA-N 444.488 4.111 5 20 IIBD COc1cc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)ccc1NC(C)=O 603775048 JNOASXCDJKQEEF-GJZGRUSLSA-N 440.500 4.296 5 20 IIBD COC(=O)c1ccc(OCc2csc(N(C(C)=O)c3ccc(F)cc3)n2)c([N+](=O)[O-])c1 603948092 ZENVROLPZLRDIS-UHFFFAOYSA-N 445.428 4.241 5 20 IIBD CNC(=O)c1ccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Cl 604013536 OIQLFTDMTJKZHA-UHFFFAOYSA-N 447.822 4.357 5 20 IIBD COc1ccc(CNC(=O)c2ccc(OCc3cn4cc(C)ccc4n3)cc2)cc1[N+](=O)[O-] 604192118 MCOQDPNGGUEMTA-UHFFFAOYSA-N 446.463 4.069 5 20 IIBD COc1cc(OCC(=O)NCC(C)(C)c2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] 608900548 NYXQMUGNPFAYSY-UHFFFAOYSA-N 426.391 4.095 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N(Cc1cccnc1)c1ccc(Cl)cc1 608939033 SYTJHDXYTUZCDF-UHFFFAOYSA-N 425.828 4.261 5 20 IIBD Cc1cccc(COc2ccc([C@@H](C)NC(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 609045527 SKNJKPCVRMGZBB-GOSISDBHSA-N 447.491 4.089 5 20 IIBD COc1c(Br)cc(Cl)cc1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 609095991 RHZHVIGDCOIUME-UHFFFAOYSA-N 443.637 4.043 5 20 IIBD COc1ccc(CN(CC(=O)Nc2ccccc2[N+](=O)[O-])Cc2ccc(OC)cc2)cc1 609133719 XRSLPQHIOKHWKO-UHFFFAOYSA-N 435.480 4.253 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)Nc1c[nH]ccc1=O 609171516 DCOJOGGWACPFBD-PTNGSMBKSA-N 432.461 4.462 5 20 IIBD CC(=O)N1CCC(CNC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 609191229 MXYSPVWJJJJRLR-UHFFFAOYSA-N 427.526 4.043 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(CN3CCOCC3)cc2)no1 609475661 YVMAWUDTOQJTOJ-OAHLLOKOSA-N 426.498 4.330 5 20 IIBD CC(C)(C)[S@](=O)Cc1cccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 609700788 QYPRXMKKLXHJGW-AREMUKBSSA-N 430.935 4.096 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCc3nc4ccccc4n3C(C)C)cc2)c(C)c1[N+](=O)[O-] 609885927 XSWUTZDCLPTWRI-UHFFFAOYSA-N 446.511 4.317 5 20 IIBD Cc1ccc(NCCCNC(=O)Nc2cc(N3CCCC3=O)ccc2Cl)c([N+](=O)[O-])c1 610093023 NDPNBRJEVSPKFK-UHFFFAOYSA-N 445.907 4.307 5 20 IIBD COc1ccc([C@@H]2CCCN2C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])c(OC)c1 610102074 BCQOGBPOUJOKPR-FQEVSTJZSA-N 442.516 4.269 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@H](c2nc3ccccc3o2)C1 610891287 ZEEJRGLPBUSYFR-HNNXBMFYSA-N 432.436 4.069 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C 726520227 ABIZFBPBXLSLPF-UHFFFAOYSA-N 433.486 4.002 5 20 IIBD Cc1nn(CCC(=O)OCc2ccc(OCc3ccc(F)cc3)cc2)c(C)c1[N+](=O)[O-] 726647714 QBDGLVOXWCMXPL-UHFFFAOYSA-N 427.432 4.260 5 20 IIBD C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 727220385 PTNGGTXZQRPPBB-JTQLQIEISA-N 428.224 4.279 5 20 IIBD Cc1ccc(C(=O)C2CCN(Cn3cc(C)n(-c4ccccc4[N+](=O)[O-])c3=O)CC2)c(C)c1 728707257 CTAGQSFHFMHGGC-UHFFFAOYSA-N 448.523 4.025 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 733520969 MXAVIYCFXYMMFQ-GFCCVEGCSA-N 440.374 4.298 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 734780527 IXEMZBYIUUQZHM-INIZCTEOSA-N 441.292 4.160 5 20 IIBD O=C(CC1CCOCC1)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 735359874 MLIWQBLCLBNDSD-FQEVSTJZSA-N 432.860 4.288 5 20 IIBD C[C@@H](OC(=O)c1cnc(-c2ccccc2)[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 735958325 MFXIXHKUYWFLES-LLVKDONJSA-N 448.357 4.188 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)OCC2(C(F)(F)F)CC2)cc1[N+](=O)[O-] 739336420 NGLUJMJFJQFCPL-UHFFFAOYSA-N 436.386 4.391 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)OCc2ccccc2)CC1 739588610 AYEXUUGSHSFADS-UHFFFAOYSA-N 439.512 4.083 5 20 IIBD CS[C@H](C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 740359287 DQOWYFRWIXZAIN-INIZCTEOSA-N 428.388 4.200 5 20 IIBD CN1C(=O)CC[C@H](COC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@@H]1c1cccc(Cl)c1 740602758 KRHXEJASKLTALB-SZNDQCEHSA-N 441.871 4.496 5 20 IIBD COc1ccc(Cl)cc1C[C@@H]1CCCN(Cn2cc(Br)c([N+](=O)[O-])n2)C1 741244300 DDDQYEDZVLSFIL-LBPRGKRZSA-N 443.729 4.128 5 20 IIBD O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)c1cc(F)ccc1[N+](=O)[O-] 741608562 ADPQTRYMDKURBY-UHFFFAOYSA-N 433.237 4.188 5 20 IIBD CCC[C@]1(C)CCCN(C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 742969021 LUUQFAKCNIHUEU-JOCHJYFZSA-N 446.525 4.405 5 20 IIBD O=C(c1ccc(I)c([N+](=O)[O-])c1)N(CC(F)F)c1ccccc1 749137090 DDAJIGCCVJYCLD-UHFFFAOYSA-N 432.164 4.111 5 20 IIBD O=C(COc1ccc(F)cc1Cl)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 750583135 MGDUDURMYXTMMO-UHFFFAOYSA-N 443.656 4.114 5 20 IIBD C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 750906145 WRJJESHLRFGNME-ZUZCIYMTSA-N 427.682 4.253 5 20 IIBD O=C1C[C@@H](C(=O)N(Cc2ccsc2)c2ccccc2)CN1c1ccc(F)c([N+](=O)[O-])c1 751179416 DFFZNALTNMGDNU-MRXNPFEDSA-N 439.468 4.382 5 20 IIBD CC(C)(C)C(=O)Nc1sc2c(c1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)CCC2 753255476 IBUNUWBEYRQYHH-UHFFFAOYSA-N 430.482 4.169 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(c2ncnc3cccc([N+](=O)[O-])c23)CC1 754024714 IUFXTEAMFCJUJS-KRWDZBQOSA-N 427.505 4.154 5 20 IIBD O=C(OC[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 754761402 AGBWOKAUCXDRGC-CQSZACIVSA-N 443.887 4.028 5 20 IIBD COc1ccc(-c2cncc(C(=O)OCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])c2)cc1 758100729 CHALZTYAKVDVLL-UHFFFAOYSA-N 441.827 4.114 5 20 IIBD CC(C)N1C(=O)N(c2ccc([N+](=O)[O-])cc2F)C(=O)[C@H]1c1ccc(Br)cc1 761051502 QOZHWUWHJRPWTR-MRXNPFEDSA-N 436.237 4.415 5 20 IIBD O=C1OCCN1c1cccc(-c2noc(-c3csc(-c4ccc([N+](=O)[O-])cc4)n3)n2)c1 762196547 USZLHNFRIHKJKN-UHFFFAOYSA-N 435.421 4.392 5 20 IIBD CC(C)(C)OC(=O)N(Cc1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1)CC1CC1 762307027 CKLRWIQSZQTZSF-UHFFFAOYSA-N 427.461 4.197 5 20 IIBD CC(C)(C)OC(=O)N1CCc2nc(NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)sc2C1 762973993 MPWGLIGGCAFCON-UHFFFAOYSA-N 443.485 4.078 5 20 IIBD CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 763874162 BKBOFNQNCXOPOK-JKSUJKDBSA-N 436.468 4.478 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 764164984 ZVYMTGXGPCWGCX-UHFFFAOYSA-N 427.810 4.225 5 20 IIBD C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 764301701 BVIRZFNBDAVHCH-ZETCQYMHSA-N 437.752 4.403 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 765217575 VESSYHGARQPMAB-WMLDXEAASA-N 437.562 4.472 5 20 IIBD O=C(NC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1)Nc1cccc(F)c1 765485474 YACSDFFLIFKLBF-CYBMUJFWSA-N 434.855 4.061 5 20 IIBD COc1ccc(OCCOC(=O)c2csc(Cc3ccc(C)cc3)n2)c([N+](=O)[O-])c1 768659716 WKJMMNCMPVZRAM-UHFFFAOYSA-N 428.466 4.195 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 769423612 UXNMYSGJSRFHJN-KGLIPLIRSA-N 442.354 4.483 5 20 IIBD Cc1ccc(NC(=O)COC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c(Cl)c1 770158056 SAABQQLFNVGJQA-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1cc(-c2ccc3c(c2)CCO3)no1 770331673 ZUGSSCMDJBIVRI-UHFFFAOYSA-N 430.214 4.200 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc(C(=O)OC(C)(C)C)cc2)cccc1[N+](=O)[O-] 771124143 DTYDMDXSPCDUET-AWEZNQCLSA-N 428.441 4.043 5 20 IIBD O=C(COC(=O)c1ccnc(OC2CCCCC2)c1)Nc1ccc([N+](=O)[O-])cc1Cl 772133696 ZZTFFUSYEBZRIK-UHFFFAOYSA-N 433.848 4.150 5 20 IIBD Cn1c(C2CC2)nc2cc(CNC(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)ccc21 773680055 DOCFDJAODGZATQ-UHFFFAOYSA-N 433.512 4.279 5 20 IIBD COc1cc(C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)ccc1OCc1cscn1 773993691 KXOWFUHFLXWVHJ-UHFFFAOYSA-N 425.466 4.150 5 20 IIBD C[C@@H](CC(=O)O[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)C(=O)c1ccc(Cl)cc1 777215066 HIFOQPSPOPZECP-RYUDHWBXSA-N 436.823 4.167 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cc(Cl)cc(C(F)(F)F)c1 778524629 IARAYCKEGABYRQ-VIFPVBQESA-N 446.765 4.460 5 20 IIBD CCCN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 779351119 XGVVRIXHCPQVPZ-AWEZNQCLSA-N 443.447 4.058 5 20 IIBD CC[C@H](C)[C@H](C)C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 779728811 WZYDXARMUWBYSY-ATARQRRYSA-N 439.921 4.083 5 20 IIBD COCCCn1c(C)cc(C(=O)COC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1C 781258734 FDQBXEWISWWRBS-UHFFFAOYSA-N 446.503 4.176 5 20 IIBD Cc1ccc(S(=O)(=O)CCCOC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 781261106 WJLQCGFQCIEDSP-UHFFFAOYSA-N 435.501 4.011 5 20 IIBD Cc1ccccc1[C@H](C)NC(=O)[C@H](C)OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 781267412 HNPBUANBWIXPEF-IRXDYDNUSA-N 428.488 4.412 5 20 IIBD COc1ccc(C[C@H](C)C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC 781313640 CNAVJKISXDFNDM-KBPBESRZSA-N 441.440 4.145 5 20 IIBD COc1ccc(C(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])nc1Br 781828109 XIDRDEGQFDMBSR-QGZVFWFLSA-N 444.241 4.102 5 20 IIBD O=C(CCN1CCCCC[C@@H]1C[C@@H](O)c1ccccc1)Nc1cc([N+](=O)[O-])ccc1F 782511521 XJQKZPRPVQYGKG-XMSQKQJNSA-N 429.492 4.431 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(Nc2ccc(CC[C@H](O)c3ccccc3)cc2)s1 782947895 NNXZPSIOQVKQJX-SFHVURJKSA-N 432.523 4.470 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)O[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)cc1[N+](=O)[O-] 782988942 ZDYUVNHZDJOEKY-SNVBAGLBSA-N 432.776 4.433 5 20 IIBD COc1ccc(OCCOC(=O)Cc2nc(-c3ccc(F)cc3)cs2)c([N+](=O)[O-])c1 787003150 DZQWQHXNPGAQQH-UHFFFAOYSA-N 432.429 4.031 5 20 IIBD CCc1nc([C@H](C)NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cs1 790713365 HZMJBLZUOTWREZ-JTQLQIEISA-N 439.335 4.205 5 20 IIBD Cn1c(COC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 790745564 NLJWTUKBTNNSIJ-UHFFFAOYSA-N 439.230 4.122 5 20 IIBD CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1cc([N+](=O)[O-])cc(C)c1F 790986950 YBYRPJGNDBVXJS-UHFFFAOYSA-N 431.464 4.309 5 20 IIBD CCC(=O)Nc1cccc(COC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 791781586 GEGPBSPGJVRFME-UHFFFAOYSA-N 426.347 4.241 5 20 IIBD O=[N+]([O-])c1ccc(Br)c2c1CN(Cc1nc(O)c3cc(Cl)ccc3n1)CC2 792914300 PIALZGYTKBOWDT-UHFFFAOYSA-N 449.692 4.218 5 20 IIBD CCCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 792970746 WVSVGZHYAYULBV-UHFFFAOYSA-N 427.501 4.278 5 20 IIBD O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)Nc2cccc(OCc3cscn3)c2)c1 795311679 JROTVXULIPPLGC-UHFFFAOYSA-N 443.865 4.224 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 800625374 OQBKENPDTCMTNJ-CYBMUJFWSA-N 439.365 4.016 5 20 IIBD O=c1oc2cc(F)c(Br)cc2n1Cc1ccc(Br)c([N+](=O)[O-])c1 800837684 UCVJXJCHEGUCJB-UHFFFAOYSA-N 446.026 4.215 5 20 IIBD Cc1ccc(C2=NO[C@H](CNC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)C2)cc1C 801399629 XKQANFRLGJCRNP-IBGZPJMESA-N 425.488 4.221 5 20 IIBD COc1ccc(C(=O)Nc2ccccc2C(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1 804178479 LEQKHTLZFBUBLL-UHFFFAOYSA-N 433.464 4.170 5 20 IIBD O=C(COC(=O)Cc1cccc(Cl)c1F)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 811334691 AQOCYWXJWVKKQA-UHFFFAOYSA-N 434.729 4.131 5 20 IIBD CCOc1ccc(C2=CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3CCOC)CC2)cc1 812159147 CAIVKUDLYJBONQ-UHFFFAOYSA-N 449.511 4.192 5 20 IIBD CC(C)[C@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1nc(-c2cccnc2)no1 812962565 VCFQHVDAQQEXNR-AWEZNQCLSA-N 436.255 4.474 5 20 IIBD O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccn(-c2ccc(Br)cc2)n1 814525936 WHTJMXPFJAXTCW-UHFFFAOYSA-N 443.213 4.041 5 20 IIBD Cc1cc(C)c(C(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)c(O)n1 821795279 WZKKIHXJCPILDU-UHFFFAOYSA-N 441.827 4.437 5 20 IIBD CCCCn1c(=O)c2ccccc2n2c(SCc3cc(F)ccc3[N+](=O)[O-])nnc12 915789880 LGBJSYVDZIYUBB-UHFFFAOYSA-N 427.461 4.184 5 20 IIBD C[C@@H](Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 917085925 HODZWPULGRAWRN-OAHLLOKOSA-N 448.501 4.241 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)OCCOC2CCCC2)cc1[N+](=O)[O-] 919668125 GJPSBXYTARAMPI-UHFFFAOYSA-N 426.469 4.008 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)CC1 919996613 VUAFHJUWPZCSIN-GOSISDBHSA-N 440.519 4.227 5 20 IIBD O=C(CN1Cc2ccc([N+](=O)[O-])cc2C1)N1N=C(c2cccs2)C[C@H]1c1cccs1 1116161045 GUPCLEKKZRMBOO-SFHVURJKSA-N 438.534 4.411 5 20 IIBD CCOc1cc(NC(=O)N[C@@H](c2ccccc2)c2cnn(C)c2)c([N+](=O)[O-])cc1OCC 1116548008 YBQLWFIIZJAZKU-NRFANRHFSA-N 439.472 4.037 5 20 IIBD CNC(=O)Cc1ccccc1NCc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 1254041172 ZORKEVPFLUPIKM-UHFFFAOYSA-N 435.480 4.083 5 20 IIBD COC(=O)[C@@H](OC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1Cl 1318579680 FITLMVPSHVXNOU-KRWDZBQOSA-N 428.224 4.128 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC(O)(Cc2ccccc2F)CC1 1322264283 RNLAVDONSXYJSE-UHFFFAOYSA-N 441.484 4.067 5 20 IIBD Cc1ccc(C)c(OCc2nnc([C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)o2)c1 1323871723 BPWDXMGGBQIHKY-LJQANCHMSA-N 436.468 4.459 5 20 IIBD Nc1c(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)cc(Br)cc1[N+](=O)[O-] 1341727951 DSJHMRNRPXXCQC-OIISXLGYSA-N 430.302 4.348 5 20 IIBD COc1cc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@@H]4C4CC4)cc3)CCC2)ccc1[N+](=O)[O-] 1786060071 QGMJIRXATCIKLZ-WOJBJXKFSA-N 449.507 4.397 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)NC1(c2ccc(NC(=O)C3=CCCS3)cc2)CCC1 1786411725 CPVNKOBJAQVMGO-CSKARUKUSA-N 439.493 4.356 5 20 IIBD Cc1nc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])[nH]4)cc3)CCC2)sc1C 1790186806 RYFJTUIRXXBLKI-UHFFFAOYSA-N 439.497 4.058 5 20 IIBD Cc1cc(C)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(F)cc([N+](=O)[O-])c2)c(C)c1 1800525982 ZRMGZWYRTDNQDS-ACDBMABISA-N 439.487 4.225 5 20 IIBD C[C@@H]1C[C@]1(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1824841764 NWYPBTUEGLTDRD-KPCPBYSCSA-N 441.572 4.193 5 20 IIBD CCCn1c(SCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])nnc1-c1ccncc1 9667070 XKBWGMSUWCQOHQ-UHFFFAOYSA-N 432.893 4.043 5 20 IIBD O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc([N+](=O)[O-])c(O)c1 21221894 GHRIHDOQYYHZOP-UHFFFAOYSA-N 447.856 4.007 5 20 IIBD Cc1cc(=O)c(C(=O)N[C@H](C)c2cccc3ccccc23)nn1-c1ccccc1[N+](=O)[O-] 21901989 RNMCZJLQIDKUNI-MRXNPFEDSA-N 428.448 4.093 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)CSc1nc(C)nc2sc(C)c(C)c12 24227250 ZZJDIOFJJYHULG-UHFFFAOYSA-N 433.511 4.369 5 20 IIBD CCOC(=O)c1c(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)sc(C(=O)NC)c1C 26890138 GQVCYJFVDSEUKD-UHFFFAOYSA-N 447.513 4.051 5 20 IIBD O=C(Nc1cccc(OCC(=O)N2CCCC2)c1)c1cc2cc([N+](=O)[O-])ccc2s1 27447719 BKSOOJAYMXMRFD-UHFFFAOYSA-N 425.466 4.063 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cc1OC 28248496 KAWNGEDVAWNIQV-UHFFFAOYSA-N 427.379 4.339 5 20 IIBD CC(C)CCSc1ccc(C(=O)Nc2cc(-n3cnnn3)ccc2F)cc1[N+](=O)[O-] 58480335 OYFIUFSTLZGZRY-UHFFFAOYSA-N 430.465 4.100 5 20 IIBD CS(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)cc([N+](=O)[O-])c1 97548448 YUBZSCYMOPPGRL-UHFFFAOYSA-N 432.404 4.196 5 20 IIBD C=C1c2ccccc2C(=O)N1CC(=O)Nc1cc(OCCC)c(OCCC)cc1[N+](=O)[O-] 105463127 IWBPMXBMHGWMFS-UHFFFAOYSA-N 439.468 4.238 5 20 IIBD O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 106255182 BAHABIHGETVDCR-QFIPXVFZSA-N 442.947 4.415 5 20 IIBD O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H](c2ccc(Cl)cc2)N2CCOCC2)c1 237821732 ULJPWAYYUWMGIE-GOSISDBHSA-N 441.862 4.013 5 20 IIBD Cc1cc(N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c2cccc([N+](=O)[O-])c2n1 302014204 LCFPKACHJQYURB-UHFFFAOYSA-N 425.876 4.355 5 20 IIBD COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F 426277917 LNUBDEOFBQGXBF-GFCCVEGCSA-N 442.365 4.058 5 20 IIBD COCCn1nc(C)c(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C 426872613 XEFQFYJIUOZGIN-UHFFFAOYSA-N 426.498 4.458 5 20 IIBD Cn1ccnc1[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(Cl)cc1 429955031 ZXTBDKMPTTWNCE-MRXNPFEDSA-N 449.692 4.264 5 20 IIBD COc1ccc(CSCC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] 430652947 YKHSXNQSECMQHM-XLIONFOSSA-N 443.569 4.006 5 20 IIBD C[C@H](c1cccc(Br)c1)N1CC(=O)N([C@H](C)c2cccc([N+](=O)[O-])c2)C1=O 430880743 ZIRGCETWHFKLST-CHWSQXEVSA-N 432.274 4.444 5 20 IIBD O=C(NCCc1nc2ccccc2n1C(F)F)c1ccc(Br)cc1[N+](=O)[O-] 431023444 QXEKBAUHDQZJMR-UHFFFAOYSA-N 439.216 4.075 5 20 IIBD CCN([C@@H](c1cccnc1)c1ccc(F)c(C)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F 431926524 RRIXHMNQMMTFBP-OAQYLSRUSA-N 447.463 4.377 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(NCCC2CC(OC(C)(C)C)C2)c([N+](=O)[O-])c1 432876373 IWKUKPVIPJJOHR-UHFFFAOYSA-N 427.567 4.021 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCOc2c(Br)cccc21 441524710 PABNBLIIWUOZIR-UHFFFAOYSA-N 442.063 4.159 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](c2c[nH]c3ccccc23)C(F)(F)F)c1C 443454635 OHXBJLSKMYFHKQ-KRWDZBQOSA-N 427.404 4.275 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(Cc3c[nH]c4cc(Br)ccc34)n2)c1 445578732 IAMUCRURPGDUOH-UHFFFAOYSA-N 443.257 4.412 5 20 IIBD CN(CCOc1cccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1)C1CCOCC1 447528469 JFUKMDRTTWSPNS-VWLOTQADSA-N 439.556 4.252 5 20 IIBD CC(C)(COc1ncccc1Br)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 448397337 KWXMHVMIQHILCA-UHFFFAOYSA-N 434.246 4.086 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc(OC2CCCC2)c(F)c1 460434784 FCCSVBOHIDGQCQ-UHFFFAOYSA-N 443.431 4.382 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(F)c(NS(=O)(=O)c3cccs3)c2)c1 460741612 MVQVMOCZORJIPJ-UHFFFAOYSA-N 435.458 4.157 5 20 IIBD Cc1ccsc1-c1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1C[C@H]1CCCCO1 461841095 PWLXXLQWLZKDHD-GOSISDBHSA-N 441.557 4.471 5 20 IIBD O=[N+]([O-])c1ccc(NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)cc1OC(F)F 462814997 WGTYDUFDDUODEK-KRWDZBQOSA-N 427.835 4.335 5 20 IIBD C[C@H](c1ccc(Cl)cc1)N1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 463083649 HGOWBMIBZFHVSL-OAHLLOKOSA-N 428.920 4.024 5 20 IIBD NC(=O)Cc1csc(NC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)n1 464546855 HJEACMKXNLXTNP-UHFFFAOYSA-N 448.913 4.136 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N(Cc1ccco1)c1ccc(F)cc1F 466991724 RFHOJFRJPCMQGT-UHFFFAOYSA-N 430.363 4.013 5 20 IIBD CC[C@H](c1ccccc1)N(CC(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC 469363547 PEGZQCOGBZVUQO-LJQANCHMSA-N 434.514 4.179 5 20 IIBD COCCOc1ccc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 472212482 DVCWJWYKGZJSKC-UHFFFAOYSA-N 430.404 4.370 5 20 IIBD Cc1ccc(CNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c(O[C@@H](C)CC(C)C)c1 472606786 FNPFYALGLPLAKA-HNNXBMFYSA-N 431.464 4.111 5 20 IIBD CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O 476174590 XRHJMQSHSSYEIC-VQTJNVASSA-N 446.507 4.248 5 20 IIBD CC(C)Cn1ccc2cc(NC(=O)C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])ccc21 477907644 KAVDDPOIROUAQD-UHFFFAOYSA-N 442.903 4.156 5 20 IIBD Cc1nc(CN(C)[C@@H]2CCCN(C(=O)c3cc4ccccc4c4cccnc34)CC2)no1 478348662 VQJJKNJEOCZTJM-LJQANCHMSA-N 429.524 4.206 5 20 IIBD Cc1c(CNC(=O)N[C@H](C)[C@H](OC2CCOCC2)c2ccccc2)cccc1[N+](=O)[O-] 479749802 QUIPTOJSMAXTJR-VGSWGCGISA-N 427.501 4.028 5 20 IIBD Cc1c(CNC(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] 480053141 CYHZVIIFHMWHTM-UHFFFAOYSA-N 426.300 4.304 5 20 IIBD Cc1c([C@H](C)NCc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)cccc1[N+](=O)[O-] 481299031 KJGHGPFMVWRBPV-WMZOPIPTSA-N 431.558 4.175 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1ccccc1C(F)(F)F 481414954 FAQVABHRPXDMPT-UHFFFAOYSA-N 425.182 4.177 5 20 IIBD O=C(c1c(F)cccc1F)N1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 485393860 QSDDALHPFNCYRB-UHFFFAOYSA-N 442.397 4.037 5 20 IIBD COC(=O)c1cc(NC(=O)c2cccc(-n3ccc(C(F)(F)F)n3)c2)c(C)c([N+](=O)[O-])c1 485958606 WLWQZOQUHNNEMI-UHFFFAOYSA-N 448.357 4.147 5 20 IIBD CSc1cccc(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1[N+](=O)[O-] 486110820 RUZDFDOVLAKUJY-UHFFFAOYSA-N 439.459 4.294 5 20 IIBD CCOc1ccc(C(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)cc1[N+](=O)[O-] 486465363 GWBJINITGVAQPT-HOYKHHGWSA-N 448.479 4.237 5 20 IIBD CO[C@H](C)c1nc(CN2CCCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)cs1 487142062 LLNKSGPPQJQYAO-OAHLLOKOSA-N 427.530 4.019 5 20 IIBD CC(C)NC(=O)c1ccc(N[C@@H]2CCN(c3ccc(Br)cc3)C2)c([N+](=O)[O-])c1 488028029 KZTXMVBJYDNIQK-MRXNPFEDSA-N 447.333 4.186 5 20 IIBD CN(C)CCCOC1CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 488149031 LRBMWBPKKCYXQV-UHFFFAOYSA-N 443.569 4.319 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](Cc1ccccc1Cl)C(N)=O 488252537 PXXJNFHTMFONPG-OAHLLOKOSA-N 449.960 4.070 5 20 IIBD COc1cc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cc3)cn2)ccc1[N+](=O)[O-] 488455906 ASYRPZIPJASKFE-UHFFFAOYSA-N 435.845 4.245 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(NCCc2ccccc2)cc1 488705988 ROVCHNVRJNLRRK-FQEVSTJZSA-N 436.516 4.121 5 20 IIBD Cc1cc(C)c(-c2nnc(SCC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)o2)c(C)c1 488815851 MAVPJRSQEKPQDE-UHFFFAOYSA-N 442.453 4.030 5 20 IIBD O=C(NCc1csc(CCc2ccccc2)n1)c1cc([N+](=O)[O-])ccc1OC(F)F 489571238 XAMFIDTZACXNGC-UHFFFAOYSA-N 433.436 4.368 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(-c2noc(C(F)(F)F)n2)c1 490286760 QATNZNROOWNJGA-UHFFFAOYSA-N 426.738 4.498 5 20 IIBD O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N(c1ccccc1)c1ncccc1Br 497607987 COWRZLKURRETKY-UHFFFAOYSA-N 442.225 4.460 5 20 IIBD CC[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[C@@H](O)C(F)(F)F 498364619 PLKWDCSMYHQZSS-UKRRQHHQSA-N 437.212 4.409 5 20 IIBD COc1cc(CCNC(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OC 499670772 AJXOQZGRVYCUEX-LBPRGKRZSA-N 441.311 4.456 5 20 IIBD CC[C@H](c1ccc(F)cc1)N(Cc1cccc(F)c1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O 499781725 ZKSHRNVPCWXRBH-OAQYLSRUSA-N 441.434 4.215 5 20 IIBD CC(C)(COc1ncccc1C(F)(F)F)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 502262400 VICNTINNLQMVIE-UHFFFAOYSA-N 446.813 4.048 5 20 IIBD C[C@H](NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)c1cc2ccccc2s1 504475221 KHAHCAFNSRDUJH-ZDUSSCGKSA-N 444.538 4.100 5 20 IIBD Cc1csc(Sc2ccc(-c3nc(CC(=O)NC4CCCC4)no3)cc2[N+](=O)[O-])n1 504622112 WDTJKUYRBNAUKB-UHFFFAOYSA-N 445.526 4.162 5 20 IIBD CCOC(=O)c1ccc(F)c(C)c1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 505457363 KKTJSHUZHHWMEQ-UHFFFAOYSA-N 432.451 4.418 5 20 IIBD C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 506614676 NTGTWIAITODRKI-MRXNPFEDSA-N 445.494 4.112 5 20 IIBD COCCCN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 506729934 FTPQTNSKUXJJRY-UHFFFAOYSA-N 433.313 4.129 5 20 IIBD COc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)cc1 507309019 KSRGMNYEXYYSJN-UHFFFAOYSA-N 442.493 4.003 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1nnc(-c2cc(F)ccc2Br)o1 508782980 GIVAQHBBQXCPKN-UHFFFAOYSA-N 449.236 4.426 5 20 IIBD CN(CCCCCc1cc(-c2ccccc2)no1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 509677330 GCFILLACPKTXJI-UHFFFAOYSA-N 429.498 4.283 5 20 IIBD C[C@H](NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1ccc(OCC(F)(F)F)cc1 512079053 WRGNBSPGBOXFSQ-AWEZNQCLSA-N 425.407 4.481 5 20 IIBD C[C@H]1CCCN(Cc2ccc(CN[C@@H](c3cccc([N+](=O)[O-])c3)c3nccn3C)cc2)C1 514090414 VDEONHZGFWKTNV-CYFREDJKSA-N 433.556 4.439 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNCc3ccccc3CN3CC[C@@H](O)C3)o2)c(Cl)c1 514250497 VFDXHBCOVSXKAF-LJQANCHMSA-N 441.915 4.365 5 20 IIBD CN(CCOc1ccc(Br)cc1)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 515433767 AEZCDOYIGVWYGB-UHFFFAOYSA-N 448.317 4.109 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)c1 517871870 YAXMFFACRAGZIL-UHFFFAOYSA-N 441.875 4.494 5 20 IIBD C[C@H]1CCCN(CCCCNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 518029311 ONOSPELPVAVXNQ-RBUKOAKNSA-N 439.560 4.405 5 20 IIBD Cn1c([C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])nc2ccccc21 518643026 AQQCZAWTCMTZTP-INIZCTEOSA-N 434.905 4.051 5 20 IIBD CCCc1c(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cnn1-c1ccc(C)cc1 518843927 FRUPBOHACIFZKN-UHFFFAOYSA-N 435.484 4.468 5 20 IIBD CN(Cc1cccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1)Cc1cscn1 520319566 QLOGAMQXLWRIJW-UHFFFAOYSA-N 428.539 4.414 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N[C@H]2C[C@H]2c2cccc(Br)c2)c([N+](=O)[O-])c1 520755392 MYXULXNJJIYJAQ-RDJZCZTQSA-N 441.285 4.290 5 20 IIBD O=C1NC2(CCCCC2)C(=O)N1CCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 521818941 HSYYPDKBUMCKNU-UHFFFAOYSA-N 442.541 4.058 5 20 IIBD CCCn1c(Sc2nccc(C(=O)OCC)c2[N+](=O)[O-])nc2cc(Cl)ccc2c1=O 523114944 FLOJYAZIJRRACP-UHFFFAOYSA-N 448.888 4.091 5 20 IIBD C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 524571062 HZUUEJVNMZDFEL-GHTZIAJQSA-N 446.507 4.061 5 20 IIBD CC[C@H](C)[C@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1 525076638 KYBBGMPJGGOXTD-BUXKBTBVSA-N 435.933 4.343 5 20 IIBD COc1cc(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)cc([N+](=O)[O-])c1OC 525541476 UWGQSPOGSURBSQ-AWEZNQCLSA-N 436.848 4.076 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(C(C)(C)C)ccc2O)ccc1[N+](=O)[O-] 530876590 ZKSBBYRFFXUKNB-LJQANCHMSA-N 425.485 4.150 5 20 IIBD O=C(Nc1ccc(Br)cc1C(F)(F)F)c1cc2c(cc1[N+](=O)[O-])OCO2 531495787 DWNPJGPGHMBEJV-UHFFFAOYSA-N 433.136 4.357 5 20 IIBD CCOc1ccc(NC(=O)CNc2cccc3c2CN(c2nccs2)C3)c([N+](=O)[O-])c1 533954383 GJQMFMHBMFNHKV-UHFFFAOYSA-N 439.497 4.021 5 20 IIBD COc1ccccc1[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccn1 534107479 BGHAPJRUVKKHMS-HHHXNRCGSA-N 449.510 4.464 5 20 IIBD COc1ccc(N(C)C(=O)c2cc(I)cc([N+](=O)[O-])c2)cc1Cl 534292626 DQJVGHOAGMROAU-UHFFFAOYSA-N 446.628 4.138 5 20 IIBD O=C(c1cn(-c2ccc(Br)cc2)cn1)N1CCCc2ccc([N+](=O)[O-])cc21 534474609 KGBIXDRDJUATKQ-UHFFFAOYSA-N 427.258 4.136 5 20 IIBD CC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccc(C)cc1)n1cncn1 535882485 HYEAZEOACDEZIZ-IEBWSBKVSA-N 428.880 4.338 5 20 IIBD CCN(Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)[C@@H](C)CS(C)(=O)=O 537637753 SMEGDTCOVJKWEM-AWEZNQCLSA-N 426.922 4.296 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CN1CCN(c2ccccc2)CC1 538252977 CAFQQGXPMNRCEQ-SFHVURJKSA-N 442.585 4.036 5 20 IIBD O=C(Nc1ccccc1CN1CCSCC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 538347664 QALPIUGNEPJAJE-UHFFFAOYSA-N 434.521 4.458 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CCS[C@H]3COCC[C@@H]32)cc1 538809799 IAFLIIDPBSEOFD-VXKWHMMOSA-N 436.537 4.154 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)c1 539514466 KPAZQTJTJRPBPB-UHFFFAOYSA-N 436.346 4.380 5 20 IIBD CCc1nc2ccccc2n1C1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 540094384 NPGXMJOBUJBHEZ-UHFFFAOYSA-N 444.495 4.170 5 20 IIBD COc1ccc(NC(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)cc1[N+](=O)[O-] 543884772 NXLCMPRYANDOFM-UHFFFAOYSA-N 444.451 4.173 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc(Cn3cncn3)cc2)no1 545596262 BAQDIQTVUZGWEV-LBPRGKRZSA-N 426.820 4.078 5 20 IIBD CC1CCN(Cc2ccc(-c3noc(-c4ccc(-n5cncn5)c([N+](=O)[O-])c4)n3)cc2)CC1 546292561 DPZUCYSHZDJUCD-UHFFFAOYSA-N 445.483 4.124 5 20 IIBD CN(C)C[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(Cl)cc1 552025363 QGKLWNBNLKLSRE-IBGZPJMESA-N 447.966 4.270 5 20 IIBD O=C(Nc1cncc(Cl)c1Br)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 554762665 QCUCCLDJKWZUOF-UHFFFAOYSA-N 425.670 4.258 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C1(S(=O)(=O)c2ccccc2)CCCCC1 558163389 LFVAKUGFDNBHOM-UHFFFAOYSA-N 436.917 4.041 5 20 IIBD O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CC2(CCC2)[C@H]1c1ccccc1 560315528 WITOCFKOELKDNJ-QGZVFWFLSA-N 444.285 4.050 5 20 IIBD CC1CCN(c2ccc(C(=O)N(C)CCc3nc(-c4ccccc4)no3)cc2[N+](=O)[O-])CC1 560747661 DGDDYSAQMYAFJH-UHFFFAOYSA-N 449.511 4.196 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NCc1ccc(C2CCCCC2)cc1 562037865 QUUVCTWFFPXRLU-UHFFFAOYSA-N 429.904 4.342 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1c2ccccc2CC12CCOCC2 562188656 KLUUCBVMRXOHTC-HXUWFJFHSA-N 445.313 4.110 5 20 IIBD COC(=O)c1cc(C(=O)N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)cc([N+](=O)[O-])c1 565146383 UWMHWEAXCGOZMV-CQSZACIVSA-N 436.386 4.420 5 20 IIBD Cn1ccnc1[C@H](NC1CCN(Cc2ccc(Cl)cc2)CC1)c1cccc([N+](=O)[O-])c1 566577425 KBMSJKRLDMRUTP-JOCHJYFZSA-N 439.947 4.325 5 20 IIBD COC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)[C@@H]1CCCO1 574307438 PUWOMBFUTNMIBO-ROUUACIJSA-N 436.917 4.323 5 20 IIBD Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NCc3ccccc3COCc3ccccc3)cc21 587206818 MQYDGYUBLHLFEZ-UHFFFAOYSA-N 432.480 4.114 5 20 IIBD O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ncc(-c2ccc(Br)cc2)s1 588948219 ZCQUVUJWZYIFGM-UHFFFAOYSA-N 440.300 4.282 5 20 IIBD CCO[C@H](c1ccccc1)c1noc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 589150718 GBNGLQSFCLELKB-VQTJNVASSA-N 436.468 4.389 5 20 IIBD Cc1cc(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)c(F)cc1[N+](=O)[O-] 590590407 YCJCWECXFVXUOZ-UHFFFAOYSA-N 435.502 4.220 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CCSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1 601916388 KZJFGUBJQOOOAP-UHFFFAOYSA-N 441.900 4.245 5 20 IIBD COc1ccc(CSc2nnc([C@@H](C)N(C)C)n2-c2ccc(F)cc2)cc1[N+](=O)[O-] 603722073 AAZVAOHODBDNLI-CYBMUJFWSA-N 431.493 4.238 5 20 IIBD Cc1cc(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2C(F)(F)F)ccc1[N+](=O)[O-] 603762096 SWBRSICDWVFVFE-KRWDZBQOSA-N 437.374 4.292 5 20 IIBD O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1cc2c(cc1[N+](=O)[O-])OCCO2 603880931 XIXMIXLYUGQPJA-LJQANCHMSA-N 443.459 4.409 5 20 IIBD COc1cc(-c2cc3[nH]c(-c4ccc([N+](=O)[O-])cc4)nc(=O)c3s2)cc(OC)c1OC 603918357 JKRJKWYWINVUIT-UHFFFAOYSA-N 439.449 4.253 5 20 IIBD CC[C@@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ccccc1OCC(=O)N(C)C 603983273 SOJSVGXYOZUYSA-LJQANCHMSA-N 441.528 4.240 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H](c2ccc(F)cc2)c2ccccc2Cl)ccc1O 604038069 CGAMPFAWQTWERO-IBGZPJMESA-N 436.848 4.161 5 20 IIBD CCOC(=O)C1CCC(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 604542442 LPXCBPLTQYCWJZ-KLHKWILBSA-N 440.500 4.015 5 20 IIBD COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 608837654 UGJPXTKALAHVKT-GFCCVEGCSA-N 425.272 4.311 5 20 IIBD Cc1c(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cccc1OCC(F)(F)F 609022453 NIBCGVFKKILZEO-UHFFFAOYSA-N 434.374 4.497 5 20 IIBD C[C@@H](NC(=O)[C@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1)c1cccc([N+](=O)[O-])c1 609057287 HKDFBKKTPFEFJI-FOIQADDNSA-N 441.553 4.285 5 20 IIBD CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C(F)(F)F)c1 609226086 ITMLVGATSJYVEA-LBPRGKRZSA-N 439.390 4.217 5 20 IIBD O=C(NC[C@@H]1CCCN1CC1CCCCC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 609444728 UAIFCKVFJQFZFI-INIZCTEOSA-N 443.466 4.310 5 20 IIBD Cc1cc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)ccc1[N+](=O)[O-] 609657915 ZYMVGFNPOMWBJQ-UHFFFAOYSA-N 446.872 4.005 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 609722093 BSINLQIFTMHIGB-UHFFFAOYSA-N 442.903 4.195 5 20 IIBD COC(=O)c1cc(C(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)cc([N+](=O)[O-])c1 609726942 LPFAMDOALVNUMY-HKBQPEDESA-N 444.509 4.215 5 20 IIBD C[C@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccc(Cl)c1Cl 609796675 JZYNPVNUUHAZOA-VIFPVBQESA-N 430.675 4.162 5 20 IIBD CCOc1cc(C(=O)N[C@H](COC)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC 609816992 MPTHOBKCEFDZEW-OAHLLOKOSA-N 442.390 4.138 5 20 IIBD O=C(Nc1ccc(-c2nnco2)cc1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 609854539 NEQWWRJAAPFIBO-UHFFFAOYSA-N 445.222 4.390 5 20 IIBD COc1c(C)cnc(CN2CCC(N(C)C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)c1C 609857678 RTSAELFPUZOVFK-UHFFFAOYSA-N 446.935 4.005 5 20 IIBD O=C(Nc1ccc(Cl)cc1)N1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 609874692 LBVQDRMGVXFKOF-UHFFFAOYSA-N 437.283 4.282 5 20 IIBD Cc1ccc(NCCCNC(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)c([N+](=O)[O-])c1 610093483 MHKXEFFHAPPOEC-LJQANCHMSA-N 428.489 4.085 5 20 IIBD CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 610177569 WBOGEXOZMSAVNC-UHFFFAOYSA-N 436.411 4.495 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCc2nn(C)c3ccccc23)c([N+](=O)[O-])c1 612666742 IFKBCMQGAFXMOJ-UHFFFAOYSA-N 444.447 4.111 5 20 IIBD O=C1Nc2ccccc2[C@@]12CCN(c1c([N+](=O)[O-])cnc3ccc(Br)cc13)C2 614524709 MEVOYWSXXCXDPR-FQEVSTJZSA-N 439.269 4.006 5 20 IIBD O=C(Nc1nncn1Cc1ccccc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 618665055 PHEPDIVWZNWTAO-UHFFFAOYSA-N 429.436 4.066 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1I)c1ccccc1[N+](=O)[O-] 726326246 OTYSUEKIUMKLEM-VIFPVBQESA-N 442.165 4.026 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1cccc(SC(F)F)c1 727362951 IUTFJNHXGWKKMC-UHFFFAOYSA-N 439.259 4.473 5 20 IIBD COc1cc(C(=O)Oc2ccc(NC(=O)c3ccsc3)cc2)c([N+](=O)[O-])cc1OC 728887462 VXLZHYLZPMEPHS-UHFFFAOYSA-N 428.422 4.145 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C 729666977 KYANLKOUBJDPOK-UHFFFAOYSA-N 447.513 4.392 5 20 IIBD CCc1ccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 734482097 AKTCGBSPIAJXFT-UHFFFAOYSA-N 435.458 4.032 5 20 IIBD O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 734881381 KRNPJLWLDOIAFR-CQSZACIVSA-N 437.279 4.497 5 20 IIBD CCCCN(C)C(=O)c1ccccc1S(=O)(=O)Oc1cc([N+](=O)[O-])c(Cl)cc1C 735675916 QAHKJVMKYHRIEL-UHFFFAOYSA-N 440.905 4.196 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1C 740424062 XOXGIFWHKNGYKX-CYBMUJFWSA-N 435.274 4.008 5 20 IIBD CC[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)[C@@H](CC)CN1CCc1ccc([N+](=O)[O-])cc1 740878790 YDEQYVPQLYOJHT-VXKWHMMOSA-N 440.544 4.463 5 20 IIBD O=C(CCn1cc([N+](=O)[O-])cn1)Oc1cccc(OCc2cccc(C(F)(F)F)c2)c1 741960525 SHBWKUPJLODXLQ-UHFFFAOYSA-N 435.358 4.385 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)cc1[N+](=O)[O-] 742029550 IKOUUQSGJZQIEK-CQSZACIVSA-N 433.461 4.138 5 20 IIBD COC(C)(C)C[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 742099150 FTHQSDACNANZHA-CYBMUJFWSA-N 433.892 4.434 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCC1(c2ccc3c(c2)OCCO3)CCCC1 742390197 JWBXHJIOEBPRPL-UHFFFAOYSA-N 439.468 4.247 5 20 IIBD Cc1ccc(F)c(NC(=S)/C(=C(/O)c2ccc([N+](=O)[O-])cc2)[n+]2cccc(O)c2)c1 744116803 PJPWENUHBSTPDO-UHFFFAOYSA-O 426.449 4.359 5 20 IIBD CCOc1cc(N2CCC(OC(=O)CCC(=O)c3ccc(C)cc3)CC2)ccc1[N+](=O)[O-] 744203958 KJRNBLBWOTXQTA-UHFFFAOYSA-N 440.496 4.477 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Oc2ccc(OC)c3ccccc23)cc1OC 744375872 VVWNVJXMVZRSOB-UHFFFAOYSA-N 427.409 4.010 5 20 IIBD CC(C)c1nn(C)c2sc(C(=O)OCc3nc(-c4ccc([N+](=O)[O-])cc4)no3)cc12 745534381 CRJDMAWUWLWFBW-UHFFFAOYSA-N 427.442 4.073 5 20 IIBD C[C@@H](OC(=O)c1cccc(-c2noc(C3CC3)n2)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 745611460 JNMMAILJKRSEQO-GFCCVEGCSA-N 447.407 4.490 5 20 IIBD CN(CC(F)F)C1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 746322612 LTSWSKJXJUUOOJ-UHFFFAOYSA-N 432.471 4.008 5 20 IIBD CC(C)n1c([C@H]2CCCN2C(=O)COc2ccc([N+](=O)[O-])c(F)c2)nc2ccccc21 748376655 QDZMYTYJGNAYBL-HXUWFJFHSA-N 426.448 4.407 5 20 IIBD Cc1c(C(=O)NCc2ccc(Oc3cccc(F)c3)nc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 749145941 LFNVLRXRBQHJJY-UHFFFAOYSA-N 426.360 4.068 5 20 IIBD CC[C@H](C)c1ccccc1OCC(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 749359154 RGUPHBXZSLPITH-KRWDZBQOSA-N 427.501 4.342 5 20 IIBD CN1CC[C@@H](C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c2ccccc21 750725266 LNDOOSHLTOCMBX-OAQYLSRUSA-N 431.448 4.376 5 20 IIBD CCOc1cc(/C=C2/N=C(c3cccc([N+](=O)[O-])c3)OC2=O)ccc1OCC(F)(F)F 751034847 GZJZLUKAJMTSPP-OVCLIPMQSA-N 436.342 4.279 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2ccc(N3CCSCC3)cc2)cc1[N+](=O)[O-] 753170442 TUMUSXHGLPFYCU-UHFFFAOYSA-N 436.331 4.471 5 20 IIBD C[C@H]1C[C@@H](CCNC(=O)c2cc([N+](=O)[O-])ccc2Br)CN1Cc1ccccc1 753293442 JQDSAKORUBJSCJ-DOTOQJQBSA-N 446.345 4.388 5 20 IIBD COc1cc(C(=O)Nc2cnc(Cl)c(C)c2)c([N+](=O)[O-])cc1OCc1cscn1 754336447 YLINNNUBUSZFOT-UHFFFAOYSA-N 434.861 4.248 5 20 IIBD C[C@H]1CCCCN1C[C@H]1CCCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 755029318 RCAMMCXVPGQOGP-LSDHHAIUSA-N 439.354 4.476 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N(Cc2ccc(F)cc2)C2CCOCC2)cc1[N+](=O)[O-] 755184449 NITFTQPBJSMUBV-UHFFFAOYSA-N 442.896 4.066 5 20 IIBD COc1cc(Br)c(S(=O)(=O)Oc2cccc(C)c2[N+](=O)[O-])cc1Cl 755280287 CFMQOANTVSKYIZ-UHFFFAOYSA-N 436.667 4.095 5 20 IIBD CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)Oc3cccc(C)c3[N+](=O)[O-])cc2)cc1 755283096 YXOKUJZYALSMNP-UHFFFAOYSA-N 426.450 4.296 5 20 IIBD C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1ccc([S@](C)=O)cc1 756039589 IQDXVHXIVUQFHT-USOBGDSLSA-N 445.722 4.239 5 20 IIBD COC(=O)[C@H](Cc1ccc(Cl)cc1)OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 759510309 MLRVQQVVTGTSFO-KRWDZBQOSA-N 446.868 4.313 5 20 IIBD Cc1ccc(-c2ncco2)cc1NC(=O)c1ccc(I)c([N+](=O)[O-])c1 759949982 SPPZOQFLUYVXIA-UHFFFAOYSA-N 449.204 4.415 5 20 IIBD C[C@@H](C(=O)Nc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1)c1cccc([N+](=O)[O-])c1 762262473 FZWOONVIRFDYCD-OAHLLOKOSA-N 443.504 4.106 5 20 IIBD O=C(OCc1nc(O)c2ccc(C(F)(F)F)cc2n1)c1c[nH]c2cccc([N+](=O)[O-])c12 762904932 NKXSRPQDPXBBQJ-UHFFFAOYSA-N 432.314 4.101 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)O[C@@H](Cc1ccccc1)c1cccnc1 766500645 VAMVEUTVITYWKT-NRFANRHFSA-N 447.447 4.205 5 20 IIBD C[C@H](NC(=O)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 769713103 OOWLDZZNDAUIEW-INIZCTEOSA-N 434.537 4.334 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(O)(c2ccccc2Cl)CC1 769835081 OHKVRMIQNFTNGN-CQSZACIVSA-N 428.876 4.343 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3ccn(C(CC)CC)n3)CC2)ccc1[N+](=O)[O-] 770570386 GYFXODDXCRHMJI-UHFFFAOYSA-N 430.505 4.377 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN(Cn2cc([N+](=O)[O-])c(-c4ccncc4)n2)C3)cs1 771622872 RANGEHNSJRAZGK-UHFFFAOYSA-N 438.538 4.363 5 20 IIBD CCCN(C(=O)c1ccccc1NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)C(C)C 771794539 DWRLYCFROBVEGO-UHFFFAOYSA-N 436.468 4.362 5 20 IIBD C[C@@H](Nc1ccc(C(=O)OCCOc2ccnc(Cl)c2)cc1[N+](=O)[O-])c1ccccn1 775274609 RWLXYGKXTHNWHJ-CQSZACIVSA-N 442.859 4.447 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 775528764 KJTSIXGVCSAZJE-OAHLLOKOSA-N 437.562 4.472 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2coc(-c3ccccc3Cl)n2)c([N+](=O)[O-])c1 776445058 RUFPBCGPQPGANE-LLVKDONJSA-N 445.815 4.096 5 20 IIBD O=C(Nc1ccccc1)Nc1cccc2c1CCN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 776581649 FVUQXDGDQOZOGG-QHCPKHFHSA-N 432.480 4.331 5 20 IIBD Cc1c(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 778139038 UYZTVMLARWCNHZ-CYBMUJFWSA-N 449.847 4.441 5 20 IIBD O=C(Nc1cccc(C(=O)N2CCc3ccccc32)c1)c1cc([N+](=O)[O-])c2nsnc2c1 778252518 RXNTWNJRRSHPHR-UHFFFAOYSA-N 445.460 4.055 5 20 IIBD O=C(c1cc([N+](=O)[O-])c2nsnc2c1)N1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 778367823 IORFCWNGAVZLGP-VQIMIIECSA-N 426.498 4.108 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CC[C@@H](COC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 778751297 MYBSXGCRGBUGHL-WOVMCDHWSA-N 444.488 4.021 5 20 IIBD CCOc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c([N+](=O)[O-])cc1OCC 779338322 SNPYFPOSFUATMV-UHFFFAOYSA-N 441.343 4.154 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 780487260 NLDMENFNAUHWGW-OAHLLOKOSA-N 437.562 4.474 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 780626088 LGHDOJOLXZSBDC-MRXNPFEDSA-N 449.551 4.447 5 20 IIBD O=C(Nc1ccc(OC(=O)[C@H]2CCCN2c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 781862898 QDFUIYCGNZRPGU-JOCHJYFZSA-N 431.448 4.422 5 20 IIBD O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccc(Oc2cccc(F)c2F)nc1 782482187 GZMASDXMPLZHRE-UHFFFAOYSA-N 425.344 4.000 5 20 IIBD O=C(OCc1nnc(C2CC2)n1C1CC1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 783102693 MUFXAMZZKUCKSU-UHFFFAOYSA-N 433.468 4.368 5 20 IIBD C[C@@H](OC(=O)c1ccnc(C2CC2)c1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 783251603 VGGOQFLVIFPURI-GFCCVEGCSA-N 438.465 4.175 5 20 IIBD CCc1sc(-c2nnc(COC(=O)c3cc(O)nc4ccc([N+](=O)[O-])cc34)o2)cc1C 783708970 VGPVSUXHMKIAAW-UHFFFAOYSA-N 440.437 4.188 5 20 IIBD Cc1noc(C)c1CSc1ncccc1C(=O)OCc1ccc(N(C)C)c([N+](=O)[O-])c1 784500240 ZAOYCUPHNSXSLO-UHFFFAOYSA-N 442.497 4.310 5 20 IIBD CSc1ccc(C(=O)N2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)cc1[N+](=O)[O-] 784568484 XTLRFHXMYBKQRO-JYJNAYRXSA-N 435.546 4.082 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)cc1[N+](=O)[O-] 785396246 HBUYQPRXTYECPD-ZETCQYMHSA-N 429.829 4.071 5 20 IIBD Cc1csc(Sc2ccc(C(=O)OCc3nnc4n3CCCCC4)cc2[N+](=O)[O-])n1 788880160 CKNQZPDKQGPOFH-UHFFFAOYSA-N 445.526 4.186 5 20 IIBD O=C(Nc1ccc(F)nc1F)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 790002078 QNDMMDVLWYPRIJ-UHFFFAOYSA-N 430.333 4.142 5 20 IIBD Cc1c(CNC(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)cccc1[N+](=O)[O-] 790565215 UAIDRTUDUNDTIC-HXUWFJFHSA-N 425.510 4.410 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccc(C(=O)Nc2nccs2)cc1 790790090 KNOKKIQJMLYRMX-UHFFFAOYSA-N 434.836 4.277 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)Nc2n[nH]c(C)c2Cl)cc1[N+](=O)[O-] 790980301 UIJQSFBYAHFQAF-UHFFFAOYSA-N 430.873 4.485 5 20 IIBD COc1ccccc1-c1noc([C@H](C)NCc2c(Br)cccc2[N+](=O)[O-])n1 792181684 RMJDQBJYWYIFQJ-NSHDSACASA-N 433.262 4.267 5 20 IIBD O=C(Nc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c1)c1ccccc1 795304230 TXVCLYATLISLDB-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD O=[N+]([O-])c1cc(Cl)c2c(cnn2CN2CCCC[C@H]2c2nnc(C3CCOCC3)o2)c1 795671349 XLTBGRUGDVXPSU-KRWDZBQOSA-N 446.895 4.060 5 20 IIBD Cc1cc(OCC(=O)O[C@H](C)C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)ccc1[N+](=O)[O-] 797495972 WRVXJLXJDTTZLI-OAHLLOKOSA-N 442.468 4.081 5 20 IIBD Cc1sc(Br)c(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1C 799544337 MRRJURWAESCELY-UHFFFAOYSA-N 447.694 4.485 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NC1(c2c(Cl)cccc2Cl)CCC1 800633950 UNBJLDNKVVMXET-UHFFFAOYSA-N 440.258 4.483 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(c2ncnc3sc([N+](=O)[O-])cc23)CC1 804388330 UIAPKJZLESVUBA-OAHLLOKOSA-N 433.534 4.215 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)cc1[N+](=O)[O-] 807867868 PODLHBXQTZHRFT-UHFFFAOYSA-N 426.404 4.452 5 20 IIBD Cc1cnc(COCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2OCc2ccccc2)o1 808014054 WKCXBMWDCVLPKP-UHFFFAOYSA-N 431.832 4.279 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(Cc2cc(OC)cc(OC)c2[N+](=O)[O-])no1 809489909 ZXSHXTGKGSSNTM-CQSZACIVSA-N 442.428 4.230 5 20 IIBD C[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N2CCCCC2=O)cc1 811007521 PNTWHFXRKUKGMF-OAHLLOKOSA-N 445.903 4.411 5 20 IIBD CCOc1ccc([C@@H](O)C2CCN(C(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)CC2)cc1 812674002 QPEDNTQHDICWPI-IVZQSRNASA-N 430.476 4.208 5 20 IIBD CS(=O)(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1C(F)F 813147277 HQQOSCOBOSOLOW-UHFFFAOYSA-N 439.223 4.495 5 20 IIBD C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 816996488 OJWSWZJQTVHXQG-DIFFPNOSSA-N 439.346 4.124 5 20 IIBD O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 818893013 JFZLUULKHIKQFG-UHFFFAOYSA-N 427.392 4.435 5 20 IIBD C[C@@H](OC(=O)COc1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 913030364 OACSYVQXVGOJEC-LLVKDONJSA-N 437.330 4.347 5 20 IIBD O=C(Nc1cc(Cl)ccc1O)C1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 916026201 CMUFHTIQOPHKLE-UHFFFAOYSA-N 434.905 4.001 5 20 IIBD CCCCOc1ccc([C@H](C)NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1OC 916446219 DVXLTJDRBGBUSP-HNNXBMFYSA-N 426.473 4.009 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCN(C(=O)c2ccc(Cl)s2)CC1 918554724 XBYYLIYUNRXLCQ-UHFFFAOYSA-N 428.297 4.454 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)c1cc2ccccc2c(O)n1)c1cccc([N+](=O)[O-])c1 918635938 VRHMPAFZNVONDK-GOSISDBHSA-N 449.463 4.090 5 20 IIBD O=C(OCc1ccc(OCC(F)(F)F)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 918842262 GMNCROKQVQNHSB-UHFFFAOYSA-N 438.402 4.496 5 20 IIBD COc1ccc2c(C)c(CCC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)c(=O)oc2c1 919869087 JCNGMCXOPFCCKI-UHFFFAOYSA-N 438.480 4.388 5 20 IIBD O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)Oc1cc(Cl)ccc1[N+](=O)[O-] 921133516 IUAWUWOKVQHECT-UHFFFAOYSA-N 444.900 4.463 5 20 IIBD COc1c(NCc2ccc([N+](=O)[O-])cc2Br)cc(Cl)cc1C(=O)N(C)C 1321669491 DZDYIJRGTWFONT-UHFFFAOYSA-N 442.697 4.333 5 20 IIBD Cn1cnnc1Sc1ccc(-c2nnc(-c3cccc4ncccc34)o2)cc1[N+](=O)[O-] 1322268816 VNOPKGYOWWMTQM-UHFFFAOYSA-N 431.437 4.140 5 20 IIBD COc1cccc(OC)c1OC1CCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc23)CC1 1329639943 ROJPZZIRPWRCND-UHFFFAOYSA-N 444.875 4.256 5 20 IIBD C[C@H](OC(=O)c1cc2c(nc1O)CCC(C)(C)C2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 1334628397 XXOJUBQEZVYDIE-NSHDSACASA-N 447.875 4.048 5 20 IIBD CO/C=C(\C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])CCC2)cc1 1789435045 QBWFRYXTSGVQFP-NZOAFPJWSA-N 435.480 4.292 5 20 IIBD O=C(/C=C/c1ccsc1)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1 1790184233 HAVOEPINVKXISW-XNWCZRBMSA-N 436.493 4.446 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccco3)CCC2)cc1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 1790828639 JAFWJTHCDWHKNG-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2ccccc2o1)c1ccc([N+](=O)[O-])cc1F 1797487983 MJQHKRWGTBTOCQ-MUJYYYPQSA-N 437.427 4.046 5 20 IIBD Cc1cc(C)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccccc2[N+](=O)[O-])c(C)c1 1804345587 DDTOUKVHRNJNAH-DWOGDCJDSA-N 447.535 4.485 5 20 IIBD CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])cc3F)[nH]n2)CCCC1 1814531071 JMCUMZQTIHFYSW-GOSISDBHSA-N 443.479 4.343 5 20 IIBD C[C@@H]1CCC[C@H]1C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)[nH]n1 1818952977 LLWQBOUZOUBPIG-LPWYIGRQSA-N 441.488 4.053 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccsc2)[nH]n1)c1cc(F)cc([N+](=O)[O-])c1 1821164075 JUIAMZYPWCCHMC-QGZVFWFLSA-N 443.460 4.138 5 20 IIBD CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC2)CCC1 1830612940 MJZAFXJCCYBUFL-HXUWFJFHSA-N 431.508 4.157 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nc(Cc2ccccc2)c(C)[nH]1 9946518 PTNLKANYAVDXLM-CQSZACIVSA-N 426.498 4.345 5 20 IIBD O=C(COC(=O)c1cc2ccccc2cc1O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 10661327 VWXJZYZXQONASK-UHFFFAOYSA-N 434.326 4.268 5 20 IIBD Cc1ccc(NC(=O)CS[C@H](C)C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 10898625 UTSIZZPDCFPVIQ-CQSZACIVSA-N 435.933 4.275 5 20 IIBD C[C@H](OC(=O)c1ccccc1Br)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 11026295 WBLUPIQIRDHWNQ-VIFPVBQESA-N 427.638 4.195 5 20 IIBD Cc1ccc(Nc2nnc(SC[C@H](O)COc3cccc([N+](=O)[O-])c3)s2)cc1C 15232624 VHCLEONWGPHRNF-MRXNPFEDSA-N 432.527 4.339 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 15644182 CDLXUJNZWIJCIA-JTQLQIEISA-N 427.240 4.403 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Cl 15650893 IGBAYSLVEJGPIB-SNVBAGLBSA-N 427.240 4.403 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1 16062657 JNIHQSFHDUERPU-JTQLQIEISA-N 434.861 4.426 5 20 IIBD CSc1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 22558936 FINJKVOLPOXKLU-CQSZACIVSA-N 429.498 4.101 5 20 IIBD Cc1ccc(-n2nc(C)c(NC(=O)CN(C)Cc3cc([N+](=O)[O-])ccc3Cl)c2C)cc1 96995553 DYCZDIIACGOPKA-UHFFFAOYSA-N 441.919 4.430 5 20 IIBD CC(C)(C)NS(=O)(=O)c1ccccc1CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 236671470 NQSMRALVEUTUCF-UHFFFAOYSA-N 443.525 4.221 5 20 IIBD CCN1CCN([C@H](C)CNCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 236977097 AOMZESWHIDDHIC-QGZVFWFLSA-N 432.952 4.156 5 20 IIBD O=[N+]([O-])c1cncc(Br)c1N1CCO[C@@H](c2ccccc2Br)C1 301861761 DXJXFKVLNHARSA-CQSZACIVSA-N 443.095 4.093 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(Br)ccc1Br 319178269 KGVUUEKXVJUYSM-UHFFFAOYSA-N 428.080 4.392 5 20 IIBD CC1CCN(C[C@H]2CCCN(C(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C2)CC1 426262082 CQKNPXYOWRTZPU-MRXNPFEDSA-N 442.482 4.267 5 20 IIBD Cc1cc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)ccc1Oc1ccncc1 427228992 CLGWKUPNOFVDPG-UHFFFAOYSA-N 446.463 4.220 5 20 IIBD Cc1cc(N2CCSCC2)ccc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 429784730 LDQUNMUZYMGLHZ-UHFFFAOYSA-N 436.331 4.471 5 20 IIBD CCc1noc(-c2ccc(C)c(NC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)c2)n1 430474334 YEKHRUYOZDXSNG-UHFFFAOYSA-N 432.440 4.168 5 20 IIBD COC(=O)CCSCc1cccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 431213787 PPMPIIBBSGFRFV-UHFFFAOYSA-N 431.514 4.448 5 20 IIBD O=C(NCCc1nc2c(s1)CCCC2)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436343204 XWGWIRWVAAPCNZ-UHFFFAOYSA-N 439.487 4.267 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 437367151 VPOXJPMNCGTJNU-BLLLJJGKSA-N 426.416 4.037 5 20 IIBD COc1ccc([C@H](CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)N2CCCC2)cc1 437670582 GKMOYCBUTDIMPS-QHCPKHFHSA-N 438.528 4.115 5 20 IIBD C[C@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 438701806 PMSXTIHTEBIYMN-BEFAXECRSA-N 434.949 4.001 5 20 IIBD O=C(O)c1ccc(S(=O)(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c(F)c1 438773920 NHOMOTZQDQUGOE-UHFFFAOYSA-N 432.385 4.025 5 20 IIBD Cc1cc(OC[C@H](O)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)c(C(C)C)cc1Cl 438817357 FJJXUGGACJTXTN-QGZVFWFLSA-N 430.892 4.378 5 20 IIBD COCc1nc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c(-c2ccccc2)s1 442872563 IFNYMOCPJLCSBP-FUHWJXTLSA-N 427.530 4.335 5 20 IIBD CC(C)CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 443879908 GYNQTWPXDZSGEH-WBMJQRKESA-N 447.479 4.070 5 20 IIBD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)n1 447527313 GFFMRCVWMMQLNN-JCGIZDLHSA-N 439.438 4.042 5 20 IIBD O=C(Nc1ccc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1)c1ccc(F)cc1 447546035 ZRUTZDIYQZJMKG-NHCUHLMSSA-N 437.475 4.456 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1Sc1nnc(N2CCCC2)s1 447693401 METNHXHOLJSEAT-UHFFFAOYSA-N 427.380 4.247 5 20 IIBD O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 461338152 GBPHMWBRUWTMQJ-SZVBFZGTSA-N 443.525 4.094 5 20 IIBD O=C(N[C@H]1CCN(c2ccccc2OC(F)F)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 463731322 QATHDFFJOOGMPP-LBPRGKRZSA-N 445.344 4.224 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 463976388 MZGIGFHOXPMJHX-WOJBJXKFSA-N 432.908 4.058 5 20 IIBD CC(C)CO[C@H](C)c1noc(CN(C)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1 465198361 STIQZQKAFGZVJO-CYBMUJFWSA-N 445.501 4.107 5 20 IIBD CN(Cc1ccc([N+](=O)[O-])cc1F)Cc1cccc(Br)c1OCC(C)(C)O 467268774 NOEPFPWTEPPTGQ-UHFFFAOYSA-N 441.297 4.278 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)N2CCC3(CCC3)C2)cc([N+](=O)[O-])c1C 468241696 SQCUOFBUDZHALJ-UHFFFAOYSA-N 443.525 4.029 5 20 IIBD COc1ccc(Br)c(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 469842685 OPTHDXMPNFWGGY-UHFFFAOYSA-N 445.216 4.240 5 20 IIBD O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)Nc1cc(F)cc([N+](=O)[O-])c1 470117668 OAQNIMKXUDXFND-GFCCVEGCSA-N 437.269 4.144 5 20 IIBD O=C(Nc1ccccc1)c1ccc(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1 470339149 YMTUVNFOBLBMEL-UHFFFAOYSA-N 432.436 4.142 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1 474366019 MKJUZAZQXFGYGA-LJQANCHMSA-N 444.488 4.348 5 20 IIBD COC(=O)COc1ccc(CNc2ccc(CN3CCCC[C@H]3C)cc2)cc1[N+](=O)[O-] 474366119 APDGENFZABMFBX-QGZVFWFLSA-N 427.501 4.133 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N(Cc2cccc(Br)c2)CC2CC2)cc1 474390548 LACXLYKOPPALLP-UHFFFAOYSA-N 439.331 4.099 5 20 IIBD CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C 475636950 JGRIFCUVKDFEFR-UHFFFAOYSA-N 427.505 4.006 5 20 IIBD CCOC[C@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(C)C 475888358 ZDBHLHSDVWSHCN-QFIPXVFZSA-N 436.512 4.167 5 20 IIBD CN1CC[C@@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 477514431 RHDPAPWDUPSAKG-AOMKIAJQSA-N 448.926 4.389 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C2CC2)c(C)c1 478051817 FEPSZYSDQPEGEO-FQEVSTJZSA-N 427.526 4.271 5 20 IIBD O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1ccc(Br)cc1[N+](=O)[O-] 479236070 ANSZNKGETFIIGC-NSHDSACASA-N 442.672 4.159 5 20 IIBD Cc1cc(-c2noc(CSCCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)n2)ccc1F 480397033 WBIOBIUZROEMIY-UHFFFAOYSA-N 444.444 4.324 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(Cc2nnc3n2CCC3)cc1 481104794 JSBVDNHGQOPEQQ-UHFFFAOYSA-N 443.916 4.108 5 20 IIBD O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 484134762 PELGBNXLHLYPSL-UHFFFAOYSA-N 429.885 4.061 5 20 IIBD O=C(O)CCSCc1cccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 485803059 DBWZEWUYAPJRSU-UHFFFAOYSA-N 429.498 4.155 5 20 IIBD Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1C 485828038 AKQAPLIXNAUBOK-UHFFFAOYSA-N 442.859 4.003 5 20 IIBD Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCCCO2)cc1[N+](=O)[O-] 488243962 NPUGOYLNSYXLCA-INIZCTEOSA-N 440.905 4.305 5 20 IIBD C[C@@H](Oc1cccnc1NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 488635508 XYECSQFQNGJZQC-MRXNPFEDSA-N 436.472 4.195 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1 489198141 VEWJZRKFEMITOX-KRWDZBQOSA-N 433.574 4.254 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)cc1[N+](=O)[O-] 489939950 SRVXVIOAMBXJLT-AUUYWEPGSA-N 427.892 4.440 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccccc1Nc1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 495283365 KHJIUIGJWWYQAW-ZDUSSCGKSA-N 440.406 4.433 5 20 IIBD O=C(CSCC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 498154767 ZYIIFUDGNHGMSZ-IBGZPJMESA-N 436.942 4.438 5 20 IIBD O=C(Nc1ccc(F)cc1I)c1ccc([N+](=O)[O-])c2cccnc12 498643142 KHGOFDGCGGPSGE-UHFFFAOYSA-N 437.168 4.139 5 20 IIBD CN(C(=O)c1ccc(NC(=O)c2c(N)cccc2[N+](=O)[O-])cc1Cl)C1CCCCC1 499805461 FGCQADDOAHZPNB-UHFFFAOYSA-N 430.892 4.487 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2nc3c(F)c(F)ccc3s2)ccc1[N+](=O)[O-] 500633298 KURYYPSJUXKKDB-CQSZACIVSA-N 446.435 4.034 5 20 IIBD CN([C@H](c1ccc(Cl)cc1)C(F)(F)F)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] 501014362 JXDFKURIPAFBOB-MRXNPFEDSA-N 436.839 4.356 5 20 IIBD C[C@H]1Cc2ccc(Br)cc2CN1C(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 501352269 HGHIVFDSBFHYCY-NSHDSACASA-N 442.269 4.198 5 20 IIBD CCN(CC)c1nc2sc(C(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)cc2s1 506123681 CAICKWPOCRRDSD-UHFFFAOYSA-N 445.570 4.075 5 20 IIBD COC(=O)C1(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCCCC1 506140960 MLQHABOLFDCGFI-UHFFFAOYSA-N 434.436 4.088 5 20 IIBD CCNC(=O)c1ccc(C)c(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 508877278 FLHLUQYYDWJQOL-MRXNPFEDSA-N 447.495 4.473 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCC(OCc3ccccc3)CC2)cc1[N+](=O)[O-] 509686154 SJRVFOWHDUWLIB-UHFFFAOYSA-N 433.302 4.487 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(F)c2ccccc12 511763636 YTLXHLBWMUGBNK-LLVKDONJSA-N 447.369 4.304 5 20 IIBD O=[N+]([O-])c1cc(-c2nc([C@@H](F)c3ccc(C(F)(F)F)cc3)no2)ccc1-n1cncn1 512038532 GNLVRCBHXCVFRB-HNNXBMFYSA-N 434.309 4.303 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(-c4ncoc4-c4ccc5c(c4)OCCO5)n3)c2c1 516996807 XSWMQKKBSMXUAS-UHFFFAOYSA-N 445.391 4.143 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 517780482 YNVCXIVFMXWKJX-NZSAHSFTSA-N 428.489 4.152 5 20 IIBD Cc1ccc(Nc2nnc(S[C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)s2)cc1 518789389 PUKJYQOEACGUKT-MRXNPFEDSA-N 427.511 4.396 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCc1ccc(Br)s1 518857072 HHQUMALAHKMMOU-VIFPVBQESA-N 433.711 4.198 5 20 IIBD CCOc1ccc(-c2nc(NC(=O)COc3ccc([N+](=O)[O-])c(OC)c3)sc2C)cc1 520564312 AKKBKJKAPUCMLA-UHFFFAOYSA-N 443.481 4.452 5 20 IIBD O=C(Nc1nnc(-c2cc(Br)ccc2F)s1)c1cc(F)cc([N+](=O)[O-])c1 520969814 XFMYWJAEFDTKMY-UHFFFAOYSA-N 441.213 4.406 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)c1C 521376477 DYRVPHUHGGXZPB-UHFFFAOYSA-N 431.489 4.400 5 20 IIBD Cc1ccc(C)c(C(=O)c2ccccc2C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 522921730 JRQAROZFWBUUGI-SFHVURJKSA-N 444.491 4.164 5 20 IIBD C[C@@H]1CN(c2ccc(NCc3csc(-c4cccc([N+](=O)[O-])c4)n3)cn2)C[C@@H](C)O1 527240332 UBOZTWMGPYUFOD-HUUCEWRRSA-N 425.514 4.339 5 20 IIBD CCOc1ccc(NC(=O)CNc2cc(F)ccc2OCC(F)(F)F)c([N+](=O)[O-])c1 530966168 KOMABGSBLXRLGK-UHFFFAOYSA-N 431.342 4.124 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2)c1ccccc1[N+](=O)[O-] 532689373 JHYBFUXGWRORKD-XPGIJCKBSA-N 432.492 4.402 5 20 IIBD Cn1ccnc1-c1csc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n1 533184087 DBAXIIMGHWFMBP-UHFFFAOYSA-N 434.481 4.316 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2ccccc2)CC1 535661786 NKYKHKXQKAKRJK-UHFFFAOYSA-N 428.510 4.270 5 20 IIBD COc1cc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(-c2ccccc2)cc1OC 537633263 AHKWKYOGVUJUMA-LJQANCHMSA-N 434.496 4.360 5 20 IIBD Cc1nn(-c2ccc(Cl)cc2)c(C)c1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 537634548 OQPWDNZVDVOIHI-QGZVFWFLSA-N 426.908 4.132 5 20 IIBD CC(C)CN(C(=O)CN1CCCCCC1=O)c1nc(-c2ccccc2[N+](=O)[O-])cs1 540451740 WUQKMMDJPULNGZ-UHFFFAOYSA-N 430.530 4.110 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCC1CCN(CC(F)(F)F)CC1 540472343 YIRSVFZIJRNWIU-UHFFFAOYSA-N 433.496 4.490 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)c1 540619416 CCVQHISQEJMONX-UHFFFAOYSA-N 436.255 4.198 5 20 IIBD O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cccc([N+](=O)[O-])c1N1CCOCC1 540663618 CHYYDBRTZWATIB-UHFFFAOYSA-N 444.447 4.492 5 20 IIBD O=C(N[C@@H](CCO)c1ccccc1Br)c1cc2cc([N+](=O)[O-])ccc2s1 541980183 WAKJSHRDKPROKS-HNNXBMFYSA-N 435.299 4.426 5 20 IIBD COc1ccc(-c2nc(C)c([C@@H](C)NCC(=O)Nc3ccccc3[N+](=O)[O-])s2)cc1 542572368 DATLPBWYNFBCOZ-CYBMUJFWSA-N 426.498 4.325 5 20 IIBD COc1ccc(C(=O)NCC(=O)Nc2cc(C)ccc2Oc2ccccc2)cc1[N+](=O)[O-] 542963053 NNNLOYBQUWYELO-UHFFFAOYSA-N 435.436 4.073 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(-c2nc(-c3ccc(N4CCOCC4)c(F)c3)no2)c1 546442956 VMFCURKFELFPHI-UHFFFAOYSA-N 449.236 4.050 5 20 IIBD CCCc1c(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)cnn1-c1cc(C)ccn1 546905257 OEHRZMMNMHQESL-UHFFFAOYSA-N 446.467 4.002 5 20 IIBD Cc1ccc(-n2ncc(C(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc34)c2C2CC2)cc1Cl 552132601 CDJDMZDVWZACPS-UHFFFAOYSA-N 436.859 4.748 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](NCc2ccccc2)c2ccco2)cc1SC 553213531 GVIBHPRKXFEINN-KRWDZBQOSA-N 441.509 4.179 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 559036022 RJDDQGGVLCCDDB-UHFFFAOYSA-N 445.903 4.209 5 20 IIBD CCCS(=O)(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 559234854 XGHPUVYOHJGZHK-UHFFFAOYSA-N 431.392 4.018 5 20 IIBD Cc1c(Br)cc(C(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc1[N+](=O)[O-] 561182960 KQMMLOLUEGTMQY-LMMKCTJWSA-N 445.313 4.310 5 20 IIBD COc1ccc(NC(=O)CN2CCC(c3c[nH]c4ccc(F)cc34)CC2)c([N+](=O)[O-])c1 561962639 CDUDKXDLGFYAHS-UHFFFAOYSA-N 426.448 4.042 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CN[C@H]2CCOc3c(Cl)cccc32)c1 562078634 QGTUWWGINUZZJK-HNNXBMFYSA-N 444.656 4.466 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 564212789 UNSFVGMSYVAIPF-LSDHHAIUSA-N 440.378 4.216 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccccc1OCCc1ccccc1)c1ccccc1[N+](=O)[O-] 569152691 LMSCGZIUIUHXOH-KRWDZBQOSA-N 433.464 4.032 5 20 IIBD O=C(Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])c1cnnn1Cc1ccccc1 569269740 XWEIXBDEMWELFH-UHFFFAOYSA-N 429.436 4.066 5 20 IIBD Cc1c(CC(=O)Nc2ccc3c(c2)N(C(=O)Cc2ccccc2)CC3)cccc1[N+](=O)[O-] 573500773 LNVULERJYVDGSM-UHFFFAOYSA-N 429.476 4.216 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1Sc1nnc([C@H](C)N(C)C)n1-c1ccc(Cl)cc1 577374212 SLAFVMKHWVDICA-NSHDSACASA-N 435.941 4.128 5 20 IIBD COc1cccc(CN(C)C(=O)c2c(N)cccc2[N+](=O)[O-])c1OCc1ccccc1F 584243913 DLSUUZSXUQNAHS-UHFFFAOYSA-N 439.443 4.176 5 20 IIBD C[C@@H](C(=O)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1cccc([N+](=O)[O-])c1 584447240 ZBUFXOOOZUSWCL-CQSZACIVSA-N 449.429 4.138 5 20 IIBD COC(=O)c1nc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])sc1C(C)C 589122617 DQPAGFQSAWZUKP-SECBINFHSA-N 427.866 4.021 5 20 IIBD C[C@H](Sc1nnc(-c2ccc(OC(F)F)cc2)o1)C(=O)Nc1cccc([N+](=O)[O-])c1 594669787 HDVGSRCAUHKGJP-JTQLQIEISA-N 436.396 4.366 5 20 IIBD COc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c(OC)c1 598783934 NQQXHQQIBREAGP-UHFFFAOYSA-N 435.480 4.496 5 20 IIBD O=C(c1cccc(NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1)N1CCC[C@@H](CO)C1 600853805 FXTNPNMKRGSWGF-CQSZACIVSA-N 437.418 4.070 5 20 IIBD C[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 604108584 TXRITMLQPVLMAH-CQSZACIVSA-N 443.456 4.026 5 20 IIBD CCOC(=O)CCNC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 604458285 VPYGSIOMMJQTAV-UHFFFAOYSA-N 442.415 4.448 5 20 IIBD CCCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCCN(Cc2ccccc2)C1 609102019 NURLNSVFVIBRPD-QFIPXVFZSA-N 425.529 4.338 5 20 IIBD COc1ccc(Sc2ccc(NS(=O)(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2)cc1 609107124 YDAHECPTQDDHOM-UHFFFAOYSA-N 432.479 4.261 5 20 IIBD O=C(Nc1cccc(CSC2CCOCC2)c1)c1cc([N+](=O)[O-])cc2c1OCCO2 609702835 CFDCJQKZZIAZCR-UHFFFAOYSA-N 430.482 4.031 5 20 IIBD CN(C)CCOc1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1Cl 609738455 QCWPDQGTVAKRAV-UHFFFAOYSA-N 446.935 4.044 5 20 IIBD O=c1c2cnn(-c3ccccc3[N+](=O)[O-])c2ncn1CCCc1ccc(C(F)(F)F)cc1 610510100 SNSBVKWPMDRWHY-UHFFFAOYSA-N 443.385 4.142 5 20 IIBD COc1cc(CN[C@H]2CCO[C@@]3(CCSC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 610889991 IRZNPLDIGCEANR-CVDCTZTESA-N 444.553 4.327 5 20 IIBD C[C@H](Nc1ccc(C(=O)N(C)[C@@H]2CCCc3c2cnn3C)cc1[N+](=O)[O-])c1ccccn1 610977182 XETWCBKVAYXWMN-MGPUTAFESA-N 434.500 4.046 5 20 IIBD Cc1cn(-c2cccc([N+](=O)[O-])c2)c(=O)n1Cc1nc(-c2c(F)cccc2F)cs1 619571096 LQTQXTXDYOVVMI-UHFFFAOYSA-N 428.420 4.306 5 20 IIBD Cc1nc([N+](=O)[O-])c(Br)n1CC(=O)N[C@@H](c1ccc(C(C)C)cc1)C(C)C 726431569 BHJPJFHOWLVSTM-QGZVFWFLSA-N 437.338 4.499 5 20 IIBD Cc1ccccc1-n1nc(C(C)(C)C)cc1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 727248153 GRLANJHXDJOARC-UHFFFAOYSA-N 432.477 4.326 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(CC[C@H](O)c3ccccc3)cc2)cc1[N+](=O)[O-] 727361228 SXLJPYGICKFTNC-QFIPXVFZSA-N 426.494 4.370 5 20 IIBD COc1ccc(C)cc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727585331 DNCZHMQCTIZORB-UHFFFAOYSA-N 438.406 4.285 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 728299874 IWUZUPBKQWFHTB-MRXNPFEDSA-N 448.888 4.214 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCc2cc(Cl)c3c(c2)OCCO3)cc1SC 728459302 AXTHWCJMFBUNDB-UHFFFAOYSA-N 425.846 4.107 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N1CCC[C@H](n2ccnc2)C1 729266510 IIXGCCOQSCTGNO-RXVVDRJESA-N 439.903 4.462 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)C(C)(C)c1ccc(OCC(C)C)cc1 730873534 MUIMYQJWMKJLGY-UHFFFAOYSA-N 428.485 4.398 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 735802876 KENLWAYKWBAOEQ-UHFFFAOYSA-N 437.830 4.326 5 20 IIBD CN(C(=O)c1ccncc1)c1ccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 736039491 MUVAXYVGLBBONN-UHFFFAOYSA-N 446.488 4.411 5 20 IIBD CN(C)CC1CCN(c2ccc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)cc2)CC1 737677523 HYUOLLHKAKBDQH-UHFFFAOYSA-N 428.558 4.104 5 20 IIBD CC1(C)[C@@H]2OCC[C@@H]2[C@H]1OC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 739369328 YPPZBEQJXMMLJF-TUACAJSNSA-N 447.491 4.347 5 20 IIBD CCN(Cc1cccc(-c2ccncc2)c1)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O 742160049 WXIBVRCXSABCBS-UHFFFAOYSA-N 441.491 4.360 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC2(CCCC2)C1 742426606 TWUYBLWMPNLNCJ-UHFFFAOYSA-N 431.514 4.175 5 20 IIBD CC(C)(C)NC(=O)c1ccccc1NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 743150557 WQIXRGLKPSSTTG-UHFFFAOYSA-N 440.500 4.198 5 20 IIBD C[C@H](OC(=O)C1(c2ccc(F)cc2)CCOCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 744858082 JBGKEXKSXYYHTO-AWEZNQCLSA-N 441.415 4.137 5 20 IIBD C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)cc1Cl 745764553 YQNFOMXFSWQUGL-ZDUSSCGKSA-N 449.866 4.419 5 20 IIBD CCOc1cccc2cc([C@@H](C)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)oc12 747698198 NOGVUNHMGNJAPV-OAHLLOKOSA-N 439.468 4.067 5 20 IIBD COc1ccc(CNc2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])c(OC2CCCC2)c1 748284416 ZQXYNUNJGXWQLW-UHFFFAOYSA-N 431.445 4.246 5 20 IIBD Cc1ccccc1C1(C(=O)OCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCCCC1 750146475 IOGGEAHUHNZMCD-UHFFFAOYSA-N 440.452 4.016 5 20 IIBD O=C(NC[C@@H](O)c1ccncc1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 750476075 WLZBXAWYBWPMLO-GOSISDBHSA-N 429.885 4.258 5 20 IIBD CC(C)(C)OC(=O)N(CC1CC1)C1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 751051175 RLMWIFJPHYXPNC-UHFFFAOYSA-N 437.924 4.500 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H](OCCCc2ccccc2)C1 752336521 TZECXPMFOSXRTH-APWZRJJASA-N 431.920 4.299 5 20 IIBD Cc1c(NC(=O)c2cc([N+](=O)[O-])ncc2Br)cnn1-c1ccc(Cl)cc1 752916180 UTLLAFSSOCRDHW-UHFFFAOYSA-N 436.653 4.152 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OCc2ncnn2CC(C)C)cc1 754437438 LSEKVDRIMWEVCE-UHFFFAOYSA-N 426.429 4.000 5 20 IIBD CCOc1ccc([C@@H]2CCCN2C(=O)COC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 755059766 DQHMFKJMOFNLOO-VFNWGFHPSA-N 444.459 4.143 5 20 IIBD CC(C)Oc1cccc(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)n1 755166843 DNVKIVSZHMUMJJ-GOSISDBHSA-N 441.484 4.019 5 20 IIBD CCOc1cc(COC(=O)[C@@H]2CCCN2c2ncnc3sc(C)cc23)ccc1[N+](=O)[O-] 755551850 SPZNZWGJUFHNHW-KRWDZBQOSA-N 442.497 4.019 5 20 IIBD O=C(Nc1nc(-c2cccc(Cl)c2)ns1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 758034140 FECAMEFYRRYPCJ-UHFFFAOYSA-N 444.904 4.121 5 20 IIBD O=C(NCCOC(=O)c1ccccc1CCC(F)(F)F)c1ccc([N+](=O)[O-])cc1Cl 759267319 INHIJRDWBQFOHK-UHFFFAOYSA-N 444.793 4.330 5 20 IIBD Cc1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2-c2cccs2)cc([N+](=O)[O-])c1F 759770848 LAMOFKMJDHBQIH-UHFFFAOYSA-N 438.414 4.447 5 20 IIBD CC(C)(CS(C)(=O)=O)NC(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34 760123600 JPIFDTAVKYVHJX-UHFFFAOYSA-N 435.545 4.486 5 20 IIBD CC(C)(C)OC(=O)NC1(C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCCC1 760514179 LFCLPZQHENBBFV-UHFFFAOYSA-N 431.445 4.131 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(-c3nc(-c4ccnc(-n5ccnc5)c4)no3)cc2[N+](=O)[O-])C1 762049579 QHOBBKMHNJXMSL-HOTGVXAUSA-N 445.483 4.375 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 765218616 SLVVDBRAEKPXOM-UHFFFAOYSA-N 439.390 4.138 5 20 IIBD C[C@@H](CC(=O)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1)c1ccncc1 768961182 KYQUTBQPVYOKGO-PXNSSMCTSA-N 425.485 4.112 5 20 IIBD CCCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 769356732 XNNOAYVVDPUDLP-UHFFFAOYSA-N 425.913 4.500 5 20 IIBD CC[C@@]1(C)NC(=O)N(NC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)C1=O 769815842 OUQLUIPABAQQQV-AREMUKBSSA-N 441.487 4.299 5 20 IIBD O=C(OCc1nc2cc(C(F)(F)F)ccc2o1)c1cc(Br)ncc1[N+](=O)[O-] 769837682 QZEGMVGCMCVSDP-UHFFFAOYSA-N 446.135 4.269 5 20 IIBD COc1ccc(-c2ccc(CNc3ccc(N4CCOCC4)c(F)c3)o2)c([N+](=O)[O-])c1 770560906 UXWYLLGZFVXLSH-UHFFFAOYSA-N 427.432 4.451 5 20 IIBD Cc1cc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])n([C@H]2CCN(Cc3ccccc3)C2)n1 772270059 PRWKCGAQJBYZMG-KRWDZBQOSA-N 439.903 4.452 5 20 IIBD CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c1 775087401 QCNMPCACJFDBBR-AWEZNQCLSA-N 430.482 4.482 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(Cc2ccc(Cl)nc2)CC1 775489955 UWXLMVNLMDJHPX-UHFFFAOYSA-N 434.949 4.102 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccccc1 778142299 ZYHOZWIRNMXXNI-NRFANRHFSA-N 435.436 4.031 5 20 IIBD O=C(Nc1cccc(NS(=O)(=O)c2ccccc2)c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 778238220 XTSZVZAGWHQXFE-UHFFFAOYSA-N 447.419 4.126 5 20 IIBD CNc1ccc(C(=O)O[C@@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)cc1[N+](=O)[O-] 780081318 JCVLMCCICIOOEJ-HNNXBMFYSA-N 425.441 4.124 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1F)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781258936 WSJCOAWYDBADAC-UHFFFAOYSA-N 428.322 4.364 5 20 IIBD Cc1ccc(F)c(N2CCC[C@H](OC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)C2=O)c1 781259542 LFWYQJIZDKCTJI-QHCPKHFHSA-N 444.462 4.481 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC[C@H](c1cccc(Cl)c1)N1CCCC1 781941991 WLXXJKWRUSXFOG-HXUWFJFHSA-N 446.891 4.042 5 20 IIBD COc1ccccc1NC(=O)C1=C(C)N(CC2CC2)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])s1 782248887 ZEYGOBAMGWDCPB-LJQANCHMSA-N 442.497 4.054 5 20 IIBD Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 782305734 SIRRWUMVYCUYOH-UHFFFAOYSA-N 434.518 4.459 5 20 IIBD CC(C)(C)Oc1c(F)cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1F 782520468 QHLNAPZVACSBDT-UHFFFAOYSA-N 435.427 4.139 5 20 IIBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)O[C@H]1CCCc2nc(-c3ccccc3)sc21 782607891 LQHHBASZWNLQLD-SFHVURJKSA-N 437.477 4.069 5 20 IIBD C[C@H](OC(=O)c1cccnc1SCc1ccc(C(N)=O)cc1)c1ccccc1[N+](=O)[O-] 782822030 PIGTWUSHSFLEAS-AWEZNQCLSA-N 437.477 4.299 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1nnc(-c2cccc(Cl)c2)o1 784448540 ROYDQDBYZYVEKU-NSHDSACASA-N 449.872 4.301 5 20 IIBD O=C(OCc1ccc(OCc2ccncc2)cc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 785676413 UFSHPLAFEMYKNZ-UHFFFAOYSA-N 430.420 4.112 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 787675527 YXPMIGBWMJMBJR-UHFFFAOYSA-N 432.476 4.151 5 20 IIBD Cc1ccc(/C(O)=C(/C(=S)Nc2ccsc2)[n+]2cccc(CO)c2)cc1[N+](=O)[O-] 790117217 XYNQMTGQEOKZAT-UHFFFAOYSA-O 428.515 4.068 5 20 IIBD Cc1c(C(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 790132762 LWRHWLVABVMSCL-UHFFFAOYSA-N 431.355 4.051 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCCN(c2nc3ccccc3s2)C1 791727946 CXKBNWBGNTVBKR-ZDUSSCGKSA-N 442.453 4.073 5 20 IIBD CC(C)(C)[S@](=O)Cc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c1 795325869 QAWBZOCVHMFVBZ-HHHXNRCGSA-N 448.925 4.235 5 20 IIBD Cc1cc([C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])ccc1Br 797460726 VFJRHNKUHAMIDE-HNNXBMFYSA-N 443.294 4.331 5 20 IIBD COCc1nc(C(=O)O[C@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)c(-c2ccccc2)s1 799624938 AEQYWOMTWJKXIX-SFHVURJKSA-N 439.493 4.300 5 20 IIBD O=C(Nc1ccccc1Br)C1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 804406586 HYPPZHQISXZOQM-UHFFFAOYSA-N 449.261 4.121 5 20 IIBD O=C(Nc1ccc(NCCc2ccccc2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 806781401 CTAFBZTXICDPSG-UHFFFAOYSA-N 446.507 4.338 5 20 IIBD COc1cc(COC(=O)c2ccc3c(C)cc(O)nc3c2)c([N+](=O)[O-])cc1OC(F)F 808658403 WTDYLLKGCPQXKT-UHFFFAOYSA-N 434.351 4.124 5 20 IIBD Cc1ccccc1-c1nnc(N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)n1C 809843124 KFTPZKODIICGCK-UHFFFAOYSA-N 428.290 4.024 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)CC2)C1 810948322 FFGLGYGTJIIFAA-QGZVFWFLSA-N 449.573 4.183 5 20 IIBD CC(C)(C)OC(=O)N1CCOc2ccc(NC(=O)NCc3ccccc3[N+](=O)[O-])cc2C1 813021304 PWLFIHVTDYYYQF-UHFFFAOYSA-N 442.472 4.046 5 20 IIBD COc1cc(COC(=O)c2ccc3c(c2)CCCC3=O)c([N+](=O)[O-])cc1OCC(F)F 815375001 FYESGAUAIOAONU-UHFFFAOYSA-N 435.379 4.123 5 20 IIBD CCOc1cc(C(=O)N[C@@H]2CCc3nc(C4CCCCC4)[nH]c3C2)c([N+](=O)[O-])cc1OC 816396017 CGDCQSJWRSTFMQ-OAHLLOKOSA-N 442.516 4.060 5 20 IIBD O=C(COC(=O)c1cccn1Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 900464117 ZDIIFVOHXXRXRJ-UHFFFAOYSA-N 447.369 4.259 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Oc1cc(Cl)ccc1Cl 901442392 IRMQAPFIMIFWFM-OAHLLOKOSA-N 443.308 4.359 5 20 IIBD Cc1ccc(-c2csc(NC(=O)[C@@H]3CC(=O)N(c4ccc(F)c([N+](=O)[O-])c4)C3)n2)cc1 913120516 JHVCVTBPUBEDDY-CQSZACIVSA-N 440.456 4.157 5 20 IIBD O=[N+]([O-])c1cccc(N2CCN(Cn3nc(NC4CCCCC4)sc3=S)CC2)c1 917457940 YRRLATJAEZFHHE-UHFFFAOYSA-N 434.591 4.107 5 20 IIBD O=C(Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-])c1ccc2c(=O)n3c(nc2c1)CCC3 920330415 CQLWXFWJPSOZRI-UHFFFAOYSA-N 427.416 4.137 5 20 IIBD CCc1cc(OC(=O)[C@H](CCSC)NC(=O)c2cccc([N+](=O)[O-])c2)ccc1Cl 928989141 QRLPQIJAYHSFNY-SFHVURJKSA-N 436.917 4.268 5 20 IIBD Cc1ccc(CN2CCCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)CC2)cc1 1116320136 CTVRYSYBSMWNSD-UHFFFAOYSA-N 432.318 4.014 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C2)CC1 1116691895 PAUKFVMQTHUYCP-JXMROGBWSA-N 429.517 4.248 5 20 IIBD C[C@H](CCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(C)C(=O)OC(C)(C)C 1116839777 QGUJNVYQLLSFRA-GFCCVEGCSA-N 448.442 4.058 5 20 IIBD CS[C@@H]1CC[C@@H](N(C)C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C1 1252197235 GKBIFWVZVNUUQD-ZYHUDNBSSA-N 429.329 4.443 5 20 IIBD Cc1nccn1-c1ccncc1NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 1318816225 WXGUJUQHTKKWHP-OAHLLOKOSA-N 443.467 4.304 5 20 IIBD CN1CC[C@H](CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)[C@H]1c1ccc(Cl)c(F)c1 1319584497 UBSVTYDDSBKRBM-JLTOFOAXSA-N 432.883 4.106 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 1322624720 CECQSTJGRHHAAO-UHFFFAOYSA-N 425.832 4.190 5 20 IIBD Cc1csc([C@](O)(Cc2nc(-c3cc(C)c([N+](=O)[O-])cc3C)no2)C(F)(F)F)n1 1325488276 BQFGONUVGUBLEP-MRXNPFEDSA-N 428.392 4.019 5 20 IIBD O=[N+]([O-])c1ccc(N2CCOCC2)c(-c2nnc(COc3ccc4ccccc4c3)o2)c1 1326222513 NTSLVFTZJVGNQR-UHFFFAOYSA-N 432.436 4.214 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N[C@H](C(N)=O)c3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1 1337638527 WOCXBBMCEOYNQD-FQEVSTJZSA-N 438.871 4.447 5 20 IIBD Cn1cc([C@@H](O)C[C@@H]2CCCN2Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cn1 1341603692 BLEFXNOPEVPWIY-JXFKEZNVSA-N 430.892 4.330 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(-c3ccccc3NS(=O)(=O)c3cccs3)o2)s1 1345704768 CVJKGPGYZURGFZ-UHFFFAOYSA-N 434.480 4.236 5 20 IIBD Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(F)cc([N+](=O)[O-])c4)CCC3)cc2)n1 1787325132 XXTZSFYYOOKLAH-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3cccc(F)c3[N+](=O)[O-])CCC2)cc1)c1cncs1 1787534491 UPKMWZFSVHOJAO-UHFFFAOYSA-N 440.456 4.252 5 20 IIBD C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3nc[nH]c3[N+](=O)[O-])cc2)CCC1)c1ccccc1 1788613184 KUMHRGJKLODUSA-MRXNPFEDSA-N 447.495 4.259 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@H]3C[C@H]3C3CC3)CCC2)cc1)c1ccc(O)c([N+](=O)[O-])c1 1790617623 XTFNUUDQJMTGGY-OALUTQOASA-N 435.480 4.094 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)CCC1)c1ccccn1 1790622593 PGEBWMVPJORQDA-UHFFFAOYSA-N 434.427 4.190 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)C3CCC3)CCC2)cc1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 1790825063 BLFQYUUICDVAHY-UHFFFAOYSA-N 433.468 4.019 5 20 IIBD C[C@H](C(=O)Nc1ccc(C2(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)CCC2)cc1)n1cccc1 1791790674 ZVPZLIYVDJBVCU-MRXNPFEDSA-N 448.479 4.111 5 20 IIBD Cc1cc(Cl)ccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1F 1800349013 LLUMXUHWVGHDRR-MUJYYYPQSA-N 445.878 4.261 5 20 IIBD CCCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc([N+](=O)[O-])cc2F)cc1 1800350408 UHKBPRMBCLBFSV-REPLKXPHSA-N 439.487 4.252 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C12CCC(CC1)CC2 1803242941 QQQDDDPIAGCMKV-CLZVLWOCSA-N 439.556 4.136 5 20 IIBD O=C(/C=C/C1CC1)N1CCC([C@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1824837923 STLCQPNYZDGEDV-BDTMADQZSA-N 439.556 4.113 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@H]2CCCCN2C(=O)CCc2cccs2)CC1 1825308837 BHXRYSVFJJLTKY-GOSISDBHSA-N 445.541 4.115 5 20 IIBD C[C@@H](OC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)C(=O)Nc1cccc([N+](=O)[O-])c1 12269161 MMEHXDWFHUFAHJ-GFCCVEGCSA-N 445.378 4.031 5 20 IIBD COc1cc(C(=O)Nc2ccc(NC(C)=O)c(Cl)c2)c([N+](=O)[O-])cc1OC(F)F 14125331 RPXCRGNMEGFKJG-UHFFFAOYSA-N 429.763 4.069 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 19009039 JVBPKZYEWNAEOT-UHFFFAOYSA-N 425.466 4.062 5 20 IIBD O=C(COC(=O)c1csc(-c2ccc(F)cc2)n1)Nc1cc([N+](=O)[O-])ccc1Cl 19616455 YBPOMXQJGIBGRX-UHFFFAOYSA-N 435.820 4.306 5 20 IIBD CCOc1ccccc1Nc1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])s1 20789635 UOKUCKJRGJDTIR-UHFFFAOYSA-N 431.499 4.319 5 20 IIBD O=C(Nc1cccc(OC2CCCC2)c1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 23073596 KWIORXWWJSDOKQ-CQSZACIVSA-N 427.432 4.047 5 20 IIBD Cc1noc(C)c1CSc1ccccc1C(=O)NCCNc1ccccc1[N+](=O)[O-] 28028854 BCIHKNRMSHHALI-UHFFFAOYSA-N 426.498 4.334 5 20 IIBD CCOc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 30011908 ZHRDCPKUIUPDPW-UHFFFAOYSA-N 441.465 4.047 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)[C@H](Cc1ccccc1)NC(=O)C12CC3CC(CC(C3)C1)C2 63119813 INXCDBZTHCKFAA-KROKWJMESA-N 447.535 4.477 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(Cc1cccnc1)c1ccc(Cl)cc1 71917865 ZGJKMPBACUHJFB-UHFFFAOYSA-N 433.873 4.047 5 20 IIBD O=C1[C@@H](Sc2nnc(NCc3ccc(F)cc3)s2)CCN1c1cccc([N+](=O)[O-])c1 78768349 GMORTHOIQVSBMJ-INIZCTEOSA-N 445.501 4.095 5 20 IIBD CN(C)[C@@H](CNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccco1 237175077 JGENXZJAGOBDSI-QFIPXVFZSA-N 431.496 4.433 5 20 IIBD COc1ccc(CNc2ccnn2C[C@@H]2CCOC2)cc1OCc1ccc([N+](=O)[O-])cc1 237383182 YWVCXSZBXMSTJJ-IBGZPJMESA-N 438.484 4.028 5 20 IIBD CCc1ccc([C@H](Nc2ccc([N+](=O)[O-])c(C)n2)c2cccc(S(C)(=O)=O)c2)cc1 301659308 MBPUTOWRPAZNST-QFIPXVFZSA-N 425.510 4.466 5 20 IIBD C[C@H]1CCC[C@@H](C)N(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 303919637 NZEGLEJWHFEITL-JKSUJKDBSA-N 431.514 4.046 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 409869823 KSZPELJXGHSANZ-UHFFFAOYSA-N 426.878 4.379 5 20 IIBD COc1ccc(-c2csc(CNC(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)c2)cc1 426045062 BGDCHXTYEOGOBR-UHFFFAOYSA-N 441.513 4.075 5 20 IIBD Cc1cc(OCC(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)ccc1[N+](=O)[O-] 430417272 LGTPWDHKWICLOM-UHFFFAOYSA-N 431.876 4.200 5 20 IIBD C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 430663495 JXIZIQREBXFMKG-BUXKBTBVSA-N 441.488 4.067 5 20 IIBD C[C@@H](c1cccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1)N1CCOCC1 430916901 WXWVWJDCKCSKPJ-ZDUSSCGKSA-N 434.290 4.003 5 20 IIBD COc1ccc(CNC(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cc1[N+](=O)[O-] 434962016 JGSJKKKLQOLPTA-LBPRGKRZSA-N 444.435 4.168 5 20 IIBD C[C@H]1CCC[C@@](CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)(N(C)C)C1 436155152 RVJLECZJDXCOMU-LFPIHBKWSA-N 427.495 4.200 5 20 IIBD O=C(NCCc1ccc2ccccc2n1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436238100 CKCXCDDSBDHWFO-UHFFFAOYSA-N 429.426 4.480 5 20 IIBD O=C(Nc1ccc(OC2CCCC2)c(F)c1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 437071352 YRTJVUDPPAUBOP-UHFFFAOYSA-N 441.459 4.185 5 20 IIBD COc1cc(C(=O)NCc2ccnc(Oc3cccc(C)c3C)c2)cc([N+](=O)[O-])c1OC 437127472 AXJAEPJEVFLGMC-UHFFFAOYSA-N 437.452 4.346 5 20 IIBD COc1ccc(CCc2nc3ccccc3n2C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 438818696 JZFXLEMBGDFCTP-FQEVSTJZSA-N 447.491 4.178 5 20 IIBD CCOc1cc(C(=O)N[C@H](C)c2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])cc1OC 440829281 DGPNMWQVYHCWDT-LLVKDONJSA-N 428.363 4.392 5 20 IIBD CCCN(C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)C)c1cccc([N+](=O)[O-])c1 441444367 WDKRFWKRULWJEG-JOCHJYFZSA-N 436.512 4.203 5 20 IIBD COc1cccc(COc2cccc(NC(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)c2C)c1 441941832 MHHUWFRINJJGQO-UHFFFAOYSA-N 435.436 4.068 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)c1ccc(Br)s1 442726702 YJUGXUQANWOLGE-ZJUUUORDSA-N 428.308 4.105 5 20 IIBD COc1cc(CS(=O)(=O)[C@H]2CCc3c(Cl)cccc32)c([N+](=O)[O-])cc1OC(F)F 443447943 SRBVLHHOGAUGAQ-KRWDZBQOSA-N 447.843 4.461 5 20 IIBD O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)c1cc([N+](=O)[O-])ccc1SCCO 444534161 NPFFRDDQODLPSG-UHFFFAOYSA-N 438.509 4.131 5 20 IIBD CC(C)(C)Cc1nc(-c2ccc(C(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)cc2)no1 444638958 XSKKKTQHBWWTKG-UHFFFAOYSA-N 434.456 4.040 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H](C)SCC(=O)Nc3ccc(F)cc3)n2)c1 445579456 KQUYSGJONPNDNG-GFCCVEGCSA-N 446.460 4.149 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3nc(C4CC4)oc3c2)c(C(F)(F)F)c1 447010773 MDKFMEYABYJWNQ-UHFFFAOYSA-N 427.360 4.433 5 20 IIBD Cc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)s1 447026731 JNJHXZLPRMRMKQ-CYBMUJFWSA-N 431.333 4.253 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1cccc(-c2noc(C(F)(F)F)n2)c1 447265065 PWUCDFIAGWPVMF-UHFFFAOYSA-N 448.766 4.118 5 20 IIBD CCn1nccc1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC1 447764024 LMRGLGRGKGVDFL-UHFFFAOYSA-N 433.512 4.443 5 20 IIBD COc1cc(C(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c([N+](=O)[O-])cc1OC 461232888 DVHSTNLAQBGEAP-UHFFFAOYSA-N 436.346 4.069 5 20 IIBD Cc1ccc(C[C@@H]2CCCN2c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCOC2)cc1 461566234 BMCOHUZTKNGGFU-IRLDBZIGSA-N 447.539 4.410 5 20 IIBD O=[N+]([O-])c1ccc(NCc2nccn2CCc2ccccc2)nc1OCc1ccccc1 462497041 VHSGDWKUCXIQNF-UHFFFAOYSA-N 429.480 4.620 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CN1CCCC1)c1ccc(OC)cc1 462774173 NWHFCKQOJSUIPJ-XXBNENTESA-N 425.529 4.125 5 20 IIBD CC[C@H](c1ccc(F)cc1F)N1CCN(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])CC1 462901408 VHZXEVHIAOCPRH-HXUWFJFHSA-N 446.498 4.285 5 20 IIBD COc1cc(CN[C@@H](c2cc(OC)c(OC)c(OC)c2)C(F)(F)F)c([N+](=O)[O-])cc1F 464491357 VSHXJWLVIRLLBQ-SFHVURJKSA-N 448.369 4.162 5 20 IIBD Cc1cccc(NC(=O)N2CCC[C@H](C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)C2)c1 466297936 JNSSJMLCFHVMBD-INIZCTEOSA-N 430.892 4.117 5 20 IIBD COc1ccc(CSCC(=O)Nc2cc(-c3ccnn3C)ccc2C)cc1[N+](=O)[O-] 466563730 PMWRHDVABINWFE-UHFFFAOYSA-N 426.498 4.184 5 20 IIBD O=C(NCc1cccc(NC(=O)C2CCCC2)c1)NCc1ccc([N+](=O)[O-])cc1Cl 466563930 PUUYEXRJVWFTHJ-UHFFFAOYSA-N 430.892 4.376 5 20 IIBD CCCCOc1ccc(CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1Cl 467343913 FPECRWXHXCHASD-UHFFFAOYSA-N 440.283 4.335 5 20 IIBD Cc1c(COC(C)(C)C)cccc1NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 469536371 XFMSIAUMXDXUFT-UHFFFAOYSA-N 439.468 4.124 5 20 IIBD C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 470176148 UWYLARKDTCCDMY-NWNNTGRJSA-N 449.507 4.312 5 20 IIBD Cc1c(C(=O)NCC[C@@H](C)c2cccc(C(F)(F)F)c2)nnn1-c1cccc([N+](=O)[O-])c1 470225850 HBXPZJNLJITYKK-CYBMUJFWSA-N 447.417 4.426 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@H](OC)c1ccc(Br)cc1 471097456 DLDHVCGYQPLTQV-SGTLLEGYSA-N 437.290 4.262 5 20 IIBD O=C(Nc1cc(Br)ccc1NC1CC1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 471141003 VIZMHUHNEQKIBN-UHFFFAOYSA-N 443.257 4.438 5 20 IIBD Cc1ccc(-c2noc([C@H](C)NC(=O)c3ccc([N+](=O)[O-])cc3Br)n2)cc1F 472538394 PGOYLNRXAFLSKU-JTQLQIEISA-N 449.236 4.346 5 20 IIBD Cc1cc(-c2ncccc2NC(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cs1 474235062 CFEKRVHPXCJZHN-UHFFFAOYSA-N 436.493 4.156 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 474776268 VVOLUPUUMZBLKY-UHFFFAOYSA-N 437.905 4.046 5 20 IIBD O=[N+]([O-])c1cc(Br)cnc1N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 474785464 LJFMLSAXIRWZCG-FQEVSTJZSA-N 431.334 4.245 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCC3(CC3)C2)cc([N+](=O)[O-])c1C 474791796 SSXXEKNDZRWKOC-UHFFFAOYSA-N 443.525 4.029 5 20 IIBD O=C(NC[C@@H](O)C(F)F)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 475219230 ZWQNCTFIULQMIT-GFCCVEGCSA-N 436.358 4.121 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cc1 475638592 KHWCFAZVTOYVQF-MRXNPFEDSA-N 448.545 4.125 5 20 IIBD O=C(NC[C@H]1CC[C@@H](O)C1)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 476557432 ZSTPENBMFCPVGF-GXTWGEPZSA-N 429.523 4.247 5 20 IIBD O=C(N[C@H](CO)Cc1ccncc1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 476962355 KTXZKHLJVUTNKL-INIZCTEOSA-N 443.912 4.128 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1 477088096 JOSSBYZECPZSLL-KRWDZBQOSA-N 429.477 4.248 5 20 IIBD O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 478652853 WWPONAOOJMAOMQ-UHFFFAOYSA-N 449.532 4.163 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@H](C)CN2CCCCCC2)cc1[N+](=O)[O-])c1ccccn1 479815960 RDNIMURAHSJZKN-MSOLQXFVSA-N 425.533 4.157 5 20 IIBD COCCOc1c(Cl)cc(NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)cc1Cl 480610601 KUDKSSJDRBVCHJ-UHFFFAOYSA-N 429.256 4.496 5 20 IIBD Cc1c(CNC(=O)C[C@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)cccc1[N+](=O)[O-] 481462277 HNJRGACYJPAZON-NRFANRHFSA-N 448.479 4.111 5 20 IIBD C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)CCOc1ccccc1[N+](=O)[O-] 481849265 QOLTUSDIUCJJPM-LBPRGKRZSA-N 425.254 4.013 5 20 IIBD CCc1c(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)cnn1-c1ccc(Cl)cc1 482729966 XSNYSDCBKIXQSS-UHFFFAOYSA-N 428.832 4.035 5 20 IIBD O=C(NCCCOc1ccc(C(F)(F)F)cn1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 482795509 UPFVRMWVIBOWHJ-UHFFFAOYSA-N 437.296 4.226 5 20 IIBD CCc1cccc(Oc2ccc(NC(=O)[C@@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)cn2)c1 484099667 PCEKDYFORMDPOJ-OAHLLOKOSA-N 434.452 4.102 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(C3CC3)nc3ccc(OC)cc23)c(C)c([N+](=O)[O-])c1 485956909 QJGKEKSNVGYZRF-UHFFFAOYSA-N 435.436 4.376 5 20 IIBD Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NCC(=O)Nc1cc([N+](=O)[O-])ccc1C 488015447 RJAANKDRGHECCV-HZPDHXFCSA-N 438.528 4.380 5 20 IIBD CCOc1cc(CSc2nc3ccccc3c(=O)n2C[C@H]2CCCO2)ccc1[N+](=O)[O-] 491963945 YXOHVIZEGGOHGW-MRXNPFEDSA-N 441.509 4.175 5 20 IIBD COc1ccc([C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)c2ccc(C(F)(F)F)cc2)cc1 492049019 WUPZXYVBNYYSQM-FQEVSTJZSA-N 448.401 4.115 5 20 IIBD COc1c(S(=O)(=O)N(C)[C@@H](C)c2cccs2)cc(Br)c(C)c1[N+](=O)[O-] 493442246 KLOTVRWHTPPODC-JTQLQIEISA-N 449.348 4.118 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)cc1[N+](=O)[O-] 493959757 GOKDOMQEPXEJBG-AWEZNQCLSA-N 438.415 4.046 5 20 IIBD COc1ccc(CNC(=O)N(C)Cc2cc(Br)ccc2Cl)cc1[N+](=O)[O-] 494577090 DRXRXUDCUKHEGA-UHFFFAOYSA-N 442.697 4.361 5 20 IIBD O=C(Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 499365792 UIANOQNZZHDKEG-UHFFFAOYSA-N 435.827 4.245 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC[C@H]3[C@@H]3C[C@H](C)CC[C@@H]3O)cc2[N+](=O)[O-])C1 500347880 VEPHDXUVYMEZHV-DDJRHMSLSA-N 443.588 4.479 5 20 IIBD Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 500985049 WGGPEMVHIOERBW-HXUWFJFHSA-N 439.447 4.142 5 20 IIBD CC(C)(C)C[C@@H](NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)c1ccccc1 503364662 FOEKKDHWLZQLRW-QGZVFWFLSA-N 444.557 4.301 5 20 IIBD CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cc1I)c1ccccc1F 504701841 YBICBSKBJWTYTJ-UHFFFAOYSA-N 442.228 4.046 5 20 IIBD O=C(Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 505210694 NVWTYOMKPVCTOF-YADHBBJMSA-N 425.485 4.130 5 20 IIBD Cc1cc(C)n(-c2ccc(NC(=O)COc3ccc([N+](=O)[O-])c4cccnc34)cc2F)n1 506976984 BBGQQYQXAOTIKN-UHFFFAOYSA-N 435.415 4.102 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 508464739 FCMHFOFOHYLPMS-IRWQIABSSA-N 449.429 4.184 5 20 IIBD COc1cc(CNc2cn(Cc3ccccc3)nn2)c([N+](=O)[O-])cc1OCc1ccccc1 508487015 KBZJKVNRYQKQBQ-UHFFFAOYSA-N 445.479 4.434 5 20 IIBD CCN1CCC[C@@H](CN(C)c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@@H]1c1cnn(C)c1 509606848 DLRBKKSOFCPMNU-IFXJQAMLSA-N 425.455 4.257 5 20 IIBD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)ccc21 509836614 GIUYWYUVMLTNEK-INIZCTEOSA-N 437.500 4.301 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N(C)CCOc2ccc(OCc3ccccc3)cc2)c1 510713476 DTTVKBKGMPJSBQ-UHFFFAOYSA-N 436.464 4.333 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N(C)C[C@@H]3CCCCO3)c([N+](=O)[O-])c2)c(C)c1 511690753 JBDSYKCLYCATHT-KRWDZBQOSA-N 433.530 4.018 5 20 IIBD O=C(Nc1ccc(Br)c2cccnc12)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 511921129 YLDLQXJANDVVSQ-UHFFFAOYSA-N 438.241 4.344 5 20 IIBD COc1cc(C(=O)N(CC(F)(F)F)c2nc(C)cs2)c([N+](=O)[O-])cc1OC(F)F 512644442 OCADPQRBJQBYGS-UHFFFAOYSA-N 441.334 4.179 5 20 IIBD COCCN(C(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 515327722 CQLIELHKUDXMMO-SJPCQFCGSA-N 443.525 4.093 5 20 IIBD CCOc1cc(NC(=O)Cc2ccc(F)c(Br)c2)c([N+](=O)[O-])cc1OCC 515603528 VBEWKTJLSJCAMN-UHFFFAOYSA-N 441.253 4.475 5 20 IIBD CC(C)OC(=O)c1ccc(Cl)c(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c1 515627946 XZDJYGKLKSNZSH-UHFFFAOYSA-N 433.848 4.240 5 20 IIBD COc1ccc(CNC(=O)Nc2nnc(SCc3ccccc3)s2)cc1[N+](=O)[O-] 515770443 XNFFPYXNGYKAMO-UHFFFAOYSA-N 431.499 4.069 5 20 IIBD O=C(NCC(F)(F)F)C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 516323476 OKJLWQBEUPOJDV-UHFFFAOYSA-N 427.448 4.214 5 20 IIBD C[C@H]1CSc2ccc(Br)cc2[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 517084343 LRQWIKHMTINTPG-RTHLEPHNSA-N 449.373 4.180 5 20 IIBD COc1ccc(Cl)cc1C1(CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCOCC1 518612195 HREYVVKGDXMLJL-UHFFFAOYSA-N 447.919 4.147 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCCNc1ccc(C(F)(F)F)cn1 518833064 WGONFQCEINRNSK-NSHDSACASA-N 446.813 4.048 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Cc3ccncc3)cc2)ccc1[N+](=O)[O-] 522485420 HNSIILYCVDNCPL-HSZRJFAPSA-N 444.491 4.132 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cnn(-c2ccccc2)c1 524999207 DCOYHILBOXNZSS-UHFFFAOYSA-N 434.378 4.033 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC(n4cc(Br)cn4)CC3)o2)c1 532959062 AWSITRNLXISSGR-UHFFFAOYSA-N 446.305 4.088 5 20 IIBD CCCc1ccc([C@@]2(C)NC(=O)N(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2=O)cc1 534796851 ZXJYIVQUZRXGHA-HSZRJFAPSA-N 434.452 4.170 5 20 IIBD C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 535379146 RLDVFRTXSCLIPU-NSHDSACASA-N 434.265 4.268 5 20 IIBD O=C(CN1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] 537563869 MDVXADIYEHEJNO-HNNXBMFYSA-N 446.939 4.232 5 20 IIBD Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc12 537721841 QEDZOORERNDLRR-INIZCTEOSA-N 436.516 4.145 5 20 IIBD Cc1cc(NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)ccc1[N+](=O)[O-] 538549361 ASCSMEMQESSEBJ-UHFFFAOYSA-N 446.301 4.157 5 20 IIBD C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 538729055 NHJJSMUSVVJXTA-UONOGXRCSA-N 426.922 4.294 5 20 IIBD O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 541998386 PNHCUZXPFQUARI-UHFFFAOYSA-N 439.434 4.275 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 542584871 NNDCIEPUYPHXJJ-CYBMUJFWSA-N 449.529 4.290 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CCC[C@@H](N2CCCC2=O)C1 542656471 RZKGEAXDQDCHRF-GOSISDBHSA-N 431.558 4.104 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 544572108 HUVFORUTLVYVNJ-RTBURBONSA-N 442.459 4.313 5 20 IIBD O=C(Cc1ccccc1)NCCc1nc(-c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)no1 545051622 KCDZNRFXCJXEER-UHFFFAOYSA-N 444.447 4.339 5 20 IIBD CCCc1[nH]nc(C(=O)NCc2cccc(Oc3cc(OC)cc(OC)c3)c2)c1[N+](=O)[O-] 552717238 BRONSDHPPRKSAI-UHFFFAOYSA-N 440.456 4.010 5 20 IIBD Cc1ccc(Br)cc1NC(=O)CCNc1ncnc2sc([N+](=O)[O-])cc12 557535198 UWPSOMKEYISDKE-UHFFFAOYSA-N 436.291 4.111 5 20 IIBD CCOC(=O)c1cc(COC)cc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)c1 557806582 CCVOZYGLJSYJNR-UHFFFAOYSA-N 426.347 4.189 5 20 IIBD O=[N+]([O-])c1ccc(C(F)(F)F)c(-c2nc(-c3ccc(Cn4cncn4)c(F)c3)no2)c1 559944508 IGQLSTNOURCMOF-UHFFFAOYSA-N 434.309 4.110 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1 569602462 VCSKUQWXUYKEAR-UHFFFAOYSA-N 435.458 4.157 5 20 IIBD COc1ccc(F)cc1[C@H](C)NCc1cc(I)cc([N+](=O)[O-])c1 569969909 FTJITVYAJVNJTB-JTQLQIEISA-N 430.217 4.198 5 20 IIBD CCCCN(C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)[C@H]1CCC[C@H](C)C1 570878896 JOXQUGXSWMOXNM-WMZOPIPTSA-N 426.517 4.270 5 20 IIBD Cn1ccnc1[C@H](NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1cccc([N+](=O)[O-])c1 571588491 LXXDAOZPYLGEPZ-FCHUYYIVSA-N 439.947 4.498 5 20 IIBD COc1cc(C(=O)NCC(F)(F)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC(F)F 575010154 FANAIUWCAPATEX-UHFFFAOYSA-N 436.745 4.380 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(Br)cc2F)c([N+](=O)[O-])c1 576309706 BSBROEVUCITDKW-GHMZBOCLSA-N 440.269 4.183 5 20 IIBD COc1cccc(-c2nc(Cc3c[nH]c4cccc(Br)c34)no2)c1[N+](=O)[O-] 579405257 AJPPUQAMTZDVHZ-UHFFFAOYSA-N 429.230 4.488 5 20 IIBD Cc1nn(CC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)cc1[N+](=O)[O-] 581629593 AKFKPTHMSIRBME-UHFFFAOYSA-N 431.246 4.293 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 584193577 VYIPKVPHOYDLRH-SFHVURJKSA-N 448.932 4.378 5 20 IIBD O=C(c1cccc(NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1)N1CCC(CO)CC1 600854773 WZYPFTRCAQPJRS-UHFFFAOYSA-N 437.418 4.070 5 20 IIBD O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 603867387 VUBAETJMEYNAMJ-NSHDSACASA-N 439.697 4.261 5 20 IIBD CC(C)CNC(=O)c1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1Cl 604005371 ZCGCXMGNSPYNHU-UHFFFAOYSA-N 444.919 4.487 5 20 IIBD COc1ccc(CNS(=O)(=O)c2ccc(OC(C)C)c3ccccc23)cc1[N+](=O)[O-] 604043434 IAYKQQMNAFUDPL-UHFFFAOYSA-N 430.482 4.022 5 20 IIBD CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 604476241 FLIXTYQBABFRHN-QFIPXVFZSA-N 439.512 4.253 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 609454792 FCFGRPLURDAOQJ-NRFANRHFSA-N 435.505 4.053 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N3CCS[C@@H](C)[C@H]3C)c([N+](=O)[O-])c2)c(C)c1 609823348 UXXNECLMTGTTQL-CVEARBPZSA-N 435.571 4.343 5 20 IIBD COCCN(Cc1ccccc1)C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 609853545 YUXUMCZPMZHKOG-UHFFFAOYSA-N 449.294 4.376 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCC[C@@H]1c1ccccn1 609874536 ISMQZKJYMUDANE-QGZVFWFLSA-N 432.267 4.460 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 610766761 YQFFESLOQXFTDJ-OWWBOBEBSA-N 428.492 4.151 5 20 IIBD O=C(NC1CCN([C@H]2CCOC2)CC1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 610768627 JWENIGNWEAVSHA-SFHVURJKSA-N 445.903 4.024 5 20 IIBD CC(C)(C)OC(=O)c1cccc(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 611425711 NOOAYQLEKZEOGG-UHFFFAOYSA-N 439.512 4.083 5 20 IIBD COC(=O)Cc1cccc(C(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)c1 614493779 DIWBSTVUJBEKSN-UHFFFAOYSA-N 446.419 4.008 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(c2ccccc2C(=O)O)CC1 615166930 LLOIYCILCRBADJ-CYBMUJFWSA-N 432.860 4.120 5 20 IIBD O=C(Nc1nnc(/C=C/c2ccco2)s1)c1sc(Br)cc1[N+](=O)[O-] 618386898 AXBAHIXCBVQKOK-ONEGZZNKSA-N 427.261 4.286 5 20 IIBD O=C(CSc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727329703 PKVYUVITRWEGDY-UHFFFAOYSA-N 425.432 4.055 5 20 IIBD CC(=O)Nc1cc(Cl)ccc1C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 727528675 IYAHBXYVBMIGGZ-JTQLQIEISA-N 430.804 4.175 5 20 IIBD Cc1cc(=O)c(C(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)nn1-c1ccccc1C(F)(F)F 729674202 FYBHPZZCHZDTQP-CYBMUJFWSA-N 447.369 4.386 5 20 IIBD C[C@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1csc2ccccc12 729960331 OKMYPICOGXDARM-ZDUSSCGKSA-N 425.466 4.375 5 20 IIBD CCc1ccccc1O[C@H](C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 730622998 KDSXVGPOAPDOSQ-QFIPXVFZSA-N 434.448 4.120 5 20 IIBD O=C(NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 730691378 WANXIQLZDGZUBH-NEPJUHHUSA-N 449.699 4.164 5 20 IIBD CCN(CC)[C@H](CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])c1ccccc1 731916685 HAVMQYURJGROEX-GOSISDBHSA-N 427.473 4.086 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCC[C@H]1COc1ccc(Cl)cc1 731966836 LZQARVZTNMMGMY-ZDUSSCGKSA-N 446.859 4.292 5 20 IIBD C[C@H](Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 732228042 GYJDRAMCJVBRRJ-HNNXBMFYSA-N 440.500 4.327 5 20 IIBD O=C(OCCCc1c(F)cccc1Cl)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 732505107 PFDMBCCGXKLUFQ-HNNXBMFYSA-N 440.880 4.229 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)O[C@H]1CCCN(C(=O)c2ccccc2Cl)C1 732614969 PTQOQILJLSKDPF-SFHVURJKSA-N 445.903 4.288 5 20 IIBD O=C(Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 732647830 UAAKKAQMQVEFKV-UHFFFAOYSA-N 447.469 4.003 5 20 IIBD CC(=O)N(c1nc(COC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cs1)C1CC1 734185489 OUPJSYLTNJJOBO-UHFFFAOYSA-N 444.494 4.047 5 20 IIBD O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc(COc2ccccc2)cc1 735330749 SWMIPCBHLNVBGC-UHFFFAOYSA-N 448.431 4.329 5 20 IIBD O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H]1C[C@H]1c1ccc2ccccc2c1 735351252 XAGTYYVZWPLRCS-PMACEKPBSA-N 432.432 4.393 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 736159905 IACOFNVSNAWSQI-UHFFFAOYSA-N 426.860 4.245 5 20 IIBD O=C(CCc1nc(-c2ccsc2)no1)OCc1ccc([N+](=O)[O-])cc1Br 739577539 BGOXWDGVBUQNOY-UHFFFAOYSA-N 438.259 4.145 5 20 IIBD O=C(Cc1c[nH]c2ccc(Cl)cc12)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 740543813 UGALNHMFMFVOQJ-UHFFFAOYSA-N 428.876 4.127 5 20 IIBD CC(C)OC(=O)c1ccc(OS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 742276437 FOXXFWRGWQPXAW-UHFFFAOYSA-N 434.253 4.235 5 20 IIBD CN(C)c1ccc(N2CCC(NC(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)cc1 743112146 LSCKHJVTJWKFLH-UHFFFAOYSA-N 449.458 4.053 5 20 IIBD COc1cc(CNc2ccc3c(c2)N(C)C(=O)CO3)c([N+](=O)[O-])cc1OCc1ccccc1 743500393 ACTSABJHEARPNE-UHFFFAOYSA-N 449.463 4.150 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3ccc(C(F)(F)F)nc3)CC2)ccc1[N+](=O)[O-] 744203942 KASHVEABPYCWMX-UHFFFAOYSA-N 439.390 4.233 5 20 IIBD CCc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 744554047 JZYKDPKXMLZENT-MRXNPFEDSA-N 425.485 4.332 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)C2(c3cccc(Br)c3)CC2)cccc1[N+](=O)[O-] 744658013 OOTRIZAOBVVRDQ-ZDUSSCGKSA-N 447.285 4.268 5 20 IIBD C[C@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 745072972 DVRCVAZAOBZTOJ-QMMMGPOBSA-N 446.328 4.138 5 20 IIBD C[C@H](c1ccc(F)cc1)N(C)C(=O)COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 745567783 SNNMHMNFQSEHKG-LLVKDONJSA-N 428.338 4.129 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1C[C@@H]1c1cccc(Br)c1 747521324 NXHYCEXWPLKJQC-HZPDHXFCSA-N 444.241 4.254 5 20 IIBD O=C(c1ccc(Br)c([N+](=O)[O-])c1)N(Cc1cccc(F)c1)C[C@H]1CCCO1 747656334 OZVSVRACEFRTDK-MRXNPFEDSA-N 437.265 4.318 5 20 IIBD COc1cc(COC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)c([N+](=O)[O-])cc1OC(F)F 748898000 ITHYKIJGOLPAEL-UHFFFAOYSA-N 446.362 4.121 5 20 IIBD O=C(OCc1nc2cc(C(F)(F)F)ccc2o1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 748910849 BQUMKBLBWMKNNN-UHFFFAOYSA-N 432.314 4.298 5 20 IIBD CC(=O)NC[C@H](OC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccccc1 749214685 ZEHFGXKIBFBBNI-HJPURHCSSA-N 448.479 4.197 5 20 IIBD O=C(NCc1ccccc1OCC(F)(F)F)c1cc([N+](=O)[O-])ccc1Br 751095096 HRZAZONTCVBEHQ-UHFFFAOYSA-N 433.180 4.228 5 20 IIBD COc1ccc(-c2nc(COC(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)no2)cc1 753139073 DGLCTGQXGDOTKP-UHFFFAOYSA-N 448.229 4.081 5 20 IIBD O=C(N[C@H]1CCCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1)c1cc2ccccc2o1 755935576 XUDFAGPFTDUZKF-FQEVSTJZSA-N 445.479 4.056 5 20 IIBD CCCCCOc1cc(C)ccc1CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 757274933 OPOIAKNZHQJQSK-UHFFFAOYSA-N 433.892 4.381 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 758166698 PZTZKDHQAZOIIY-AWEZNQCLSA-N 425.913 4.244 5 20 IIBD COc1ccc(SCCC(=O)O[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1OC 759935647 YNKDCPGGTDEKAI-HZPDHXFCSA-N 435.502 4.018 5 20 IIBD O=C(O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1cnc(Cc2ccc(F)cc2)s1 759946056 UOIWKRKKYGPLAP-CVEARBPZSA-N 430.461 4.318 5 20 IIBD COC(=O)c1nc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)sc1C1CC1 760017497 TVYCZKQDUUFKFH-UHFFFAOYSA-N 444.513 4.204 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2nnc([C@@H]3CCCc4ccccc43)s2)cc1[N+](=O)[O-] 762924073 XUVOEDZRZKDCTD-OAHLLOKOSA-N 439.453 4.383 5 20 IIBD Cc1ccc([C@H](C)[C@H](O)C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 764640908 NGAYFJRTKQDFKM-AOMKIAJQSA-N 434.448 4.226 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCN(c3cccc(C)c3)CC2)c1=S 764864878 NAZYAMMMBZRQQF-UHFFFAOYSA-N 438.557 4.097 5 20 IIBD COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1OC1CCCC1 766356441 OACJHVYOKZRCQM-UHFFFAOYSA-N 443.481 4.274 5 20 IIBD Cc1cc(Cl)ncc1NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 766803804 HZFDTYHJRZWSFB-UHFFFAOYSA-N 446.872 4.005 5 20 IIBD Cc1cn(-c2ccccc2Cl)nc1C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 767064672 HBVHABOKWZAJLZ-AWEZNQCLSA-N 442.859 4.235 5 20 IIBD Cn1ccnc1[C@@H](NC[C@@H](O)c1ccc(-c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 768534801 PBHIHQREQGIBQZ-RPWUZVMVSA-N 428.492 4.408 5 20 IIBD C[C@@H](c1nc(-c2cccs2)no1)N1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 768554605 KVUNGQOTIFAWMT-ZDUSSCGKSA-N 433.921 4.239 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(OCc2ccccn2)cc1 769891300 KHOHWNRVGKEOJN-UHFFFAOYSA-N 447.900 4.009 5 20 IIBD COc1cc(C)c([C@H](C)OC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1C 770025981 ILZOVTRZYCQNPU-AWEZNQCLSA-N 442.497 4.418 5 20 IIBD O=C(Cc1noc(COc2ccc([N+](=O)[O-])c(F)c2)n1)Nc1ccc(Cl)cc1Cl 771029087 HUWAVUXNQKUDTQ-UHFFFAOYSA-N 441.202 4.184 5 20 IIBD C[C@H](NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H](OC1CCOCC1)c1ccccc1 773084198 QIJSRQHJIOIPFY-DFBJGRDBSA-N 439.556 4.479 5 20 IIBD O=C(NS(=O)(=O)C1CCC1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 774282137 NDIQXPJNHPMUQZ-UHFFFAOYSA-N 426.903 4.012 5 20 IIBD O=[N+]([O-])c1cccc(Br)c1OC[C@@H](O)c1ccc(F)c(Br)c1 774643882 FSNLJIVXVCBXOA-CYBMUJFWSA-N 435.043 4.371 5 20 IIBD CCn1c(SC[C@@H](O)c2ccc([N+](=O)[O-])cc2)nc2sc3c(c2c1=O)CCCC3 776272833 YCJMBWAXVUIIPD-OAHLLOKOSA-N 431.539 4.091 5 20 IIBD Cc1c(C(=O)N(CC(=O)Nc2ccc(F)cc2)C(C)(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 776364054 AOVCSTLQNMDOOX-UHFFFAOYSA-N 446.435 4.138 5 20 IIBD CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1 777834749 LTZUSFWBFDTYJA-UHFFFAOYSA-N 437.456 4.058 5 20 IIBD CC(C)(C)C(=O)Nc1ccc(C(=O)COC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc1 778166062 LJYVMUZEFKOOOT-UHFFFAOYSA-N 434.395 4.097 5 20 IIBD COc1cccc(-n2c(C)nnc2SCC(=O)O[C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 778760290 HWXLKGXDNRUSLZ-CQSZACIVSA-N 442.497 4.197 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)c1csc(Cc2ccccc2)n1 778804884 BLCXCXGPIPQGLI-MRXNPFEDSA-N 427.457 4.217 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 780282785 LRDPCRIKCFKTCM-GFCCVEGCSA-N 433.442 4.189 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1c(-c2ccccc2)nc2ccccn12 781571912 LKFUHGGPWCSMJY-UHFFFAOYSA-N 431.408 4.389 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccn(-c2ccccc2F)n1 782301629 SSRHARZLZAUMLF-UHFFFAOYSA-N 431.445 4.015 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H](O)c1c(F)cccc1Cl 786412990 LWTIHVOUKACFKT-ABKXIKBNSA-N 445.672 4.310 5 20 IIBD C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 788713170 UWZFQTXSHOXXFG-LSDHHAIUSA-N 429.496 4.302 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1c(F)ccc([N+](=O)[O-])c1F 789067353 WODMELJSSLECSX-CYBMUJFWSA-N 431.178 4.142 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)c1F 790135591 OXFORNRXRPQACU-UHFFFAOYSA-N 449.504 4.248 5 20 IIBD O=C(O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1cc2sc(N3CCCC3)nc2s1 796768212 ZXSUSQATPSCNAD-STQMWFEESA-N 447.542 4.403 5 20 IIBD Cc1c(C(=O)N(C)Cc2ccc(OCC(F)(F)F)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 804176009 XTXXSTRYPWKJME-UHFFFAOYSA-N 441.362 4.333 5 20 IIBD COC(=O)N1CCC(CNc2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])CC1 804821860 MHJITSGAQDSVJA-UHFFFAOYSA-N 426.473 4.046 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)c1 808467814 NDVMZFUTOLLFKI-SHTZXODSSA-N 437.562 4.378 5 20 IIBD O=C(Nc1ccc(F)cc1OC1CCOCC1)c1ccc(Br)c([N+](=O)[O-])c1 808897831 FAXRWPQXTMLNLZ-UHFFFAOYSA-N 439.237 4.307 5 20 IIBD CCN(C)C(=O)CSc1ccc([C@H](C)OC(=O)c2cccc([N+](=O)[O-])c2OC)cc1 809076125 NACHHZLNVFPITE-AWEZNQCLSA-N 432.498 4.092 5 20 IIBD C[C@@]1(c2cc(F)cc(F)c2)NC(=O)N(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1=O 809959523 JFILWXGZDQNLBV-KRWDZBQOSA-N 430.194 4.147 5 20 IIBD O=[N+]([O-])c1cc(CN[C@H](CO)c2ccc(Br)c(F)c2)ccc1Br 813791817 FZQRNBJNNHIPQY-CQSZACIVSA-N 448.086 4.082 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(N3CCCOC3=O)cc2)cc1[N+](=O)[O-] 814308524 LWNVNBGMQMERPV-JKSUJKDBSA-N 426.473 4.371 5 20 IIBD CN(Cc1ccc(Cl)s1)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 815510751 JSSQLUICTOJJOE-UHFFFAOYSA-N 436.795 4.144 5 20 IIBD CC(C)CNS(=O)(=O)c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)c(Cl)cc1Cl 912930728 VPLODKRQAWLHHC-UHFFFAOYSA-N 446.312 4.088 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H](C)Oc2cccc(C(C)(C)C)c2)c([N+](=O)[O-])c1 919405945 CDBKUQQPIAEUPW-HUUCEWRRSA-N 444.484 4.239 5 20 IIBD CCCN1CCN(c2ccc(NC(=O)CCOc3ccccc3[N+](=O)[O-])cc2Cl)CC1 920011255 PKFGAPZSXBUPBL-UHFFFAOYSA-N 446.935 4.188 5 20 IIBD CC(C)[C@H](OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2sccc2C1 924161459 WGLHLYXEQMVYEV-LIRRHRJNSA-N 448.566 4.290 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@H](c2ccc(Cl)s2)C1 1116158965 DZVQMOVPHPQDSP-AWEZNQCLSA-N 431.297 4.332 5 20 IIBD COC(=O)C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(C)cc1 1321091047 MITULRMVYMUJNN-QGZVFWFLSA-N 439.390 4.026 5 20 IIBD COc1ccc(NC(=O)N2CCCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cc1[N+](=O)[O-] 1324301353 FNXVUEIQEFCPLW-UHFFFAOYSA-N 448.520 4.248 5 20 IIBD COC(=O)[C@@H]1CCC[C@H]1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 1339397810 ZHJDAKKJLDXBAR-HUUCEWRRSA-N 448.859 4.121 5 20 IIBD Cc1cc(F)cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])[nH]4)CCC3)cc2)c1 1790632132 OLZGIXQQGZRFHG-UHFFFAOYSA-N 436.443 4.432 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(C2(NC(=O)[C@H]3CC3(F)F)CCC2)cc1 1792317654 BCMFSHKBTZSLFD-PMQIGOLDSA-N 441.434 4.397 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC1CCCC1)C2 1800700160 YXZAJVDXAYTQSG-BCDXTJNWSA-N 431.508 4.265 5 20 IIBD CCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 1805485027 OTQQLCJMNXTEPK-UHFFFAOYSA-N 449.979 4.458 5 20 IIBD CC(C)/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1824278199 ABLNSLUNXDAFHL-BGRGPPJGSA-N 429.517 4.033 5 20 IIBD O=C(COC(=O)c1cc2c(s1)-c1ccccc1OC2)Nc1ccc(F)c([N+](=O)[O-])c1 9817589 FOJWNWHXSREQAI-UHFFFAOYSA-N 428.397 4.150 5 20 IIBD O=C(COC(=O)c1ccc(C(F)(F)F)cc1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 10648286 PALCTGKTCMYZNH-UHFFFAOYSA-N 436.264 4.428 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc([C@H](C)Nc2ccc([N+](=O)[O-])c3cnccc23)cc1 15129473 UXECYIXXSUDALN-HNNXBMFYSA-N 428.514 4.347 5 20 IIBD C[C@H](OC(=O)c1c[nH]c2ccc(Br)cc12)C(=O)Nc1ccccc1[N+](=O)[O-] 16327628 UJLZFZDKGKYYKQ-JTQLQIEISA-N 432.230 4.023 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(NCc2ccc(F)cc2)s1 16334838 RVDJZTVKIKZTCG-UHFFFAOYSA-N 433.490 4.237 5 20 IIBD CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Cl 22495193 QGFLVDBKBUWJHT-NSHDSACASA-N 430.800 4.381 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nc(-c2ccccc2Br)n[nH]1 28806438 JZOVXKIWVBVXML-UHFFFAOYSA-N 448.302 4.182 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)OCc2nc(C(C)C)no2)cc1[N+](=O)[O-] 29136968 JJHJZEZXGGIFJD-UHFFFAOYSA-N 441.465 4.411 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 35281682 QSNWRCNELARMOO-ZDUSSCGKSA-N 430.823 4.457 5 20 IIBD Cc1cc(C)c2c(c1)c(C)cc1nnc(SC[C@@H](O)COc3cccc([N+](=O)[O-])c3)n12 61728707 YFKAHRRZFGBMBR-KRWDZBQOSA-N 438.509 4.248 5 20 IIBD CCSc1ccc(Cl)cc1NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O 78509787 GEQOVPPRLMUFDM-UHFFFAOYSA-N 444.900 4.467 5 20 IIBD O=C(NCc1nc(-c2cccc(Cl)c2)no1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 97572618 LRQBRLNRKDAAMD-UHFFFAOYSA-N 441.875 4.219 5 20 IIBD CS(=O)(=O)Cc1ccccc1CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 237346186 IGTKCUQUZUTWFK-UHFFFAOYSA-N 434.901 4.343 5 20 IIBD COc1cc(OC)cc([C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)c2nccn2C)c1 237463151 QUFSCJFHYBFTSJ-HSZRJFAPSA-N 448.479 4.485 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H]3CCC[C@H]4OCC[C@@H]34)c([N+](=O)[O-])c2)c(C)c1 301684528 WKGIJNFZTVFJLV-LRXVAGHRSA-N 445.541 4.382 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCC(O)(c2c(F)cccc2F)CC1 302352018 BRZCBODIPMKGRD-UHFFFAOYSA-N 447.316 4.288 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCO[C@@H](c2ccc(F)cc2F)C1 302442245 QRYAVOWDYBSKCC-OAHLLOKOSA-N 433.289 4.378 5 20 IIBD CCS(=O)(=O)c1ccc(N2CCC(Nc3c(C)cc([N+](=O)[O-])cc3Cl)CC2)cc1 302806329 FUZLEEFGFKPMCP-UHFFFAOYSA-N 437.949 4.431 5 20 IIBD O=[N+]([O-])c1cnc(Oc2ccc(I)c(Br)c2)s1 409717831 CATPPDGEFYDAJO-UHFFFAOYSA-N 427.017 4.211 5 20 IIBD CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 426204123 DVXXZJCVIBYALA-APPDUMDISA-N 429.370 4.328 5 20 IIBD O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 426325440 UVCWYZUDFMFAJL-UHFFFAOYSA-N 441.875 4.215 5 20 IIBD CC(C)CN1CCC[C@@H](CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 427048725 IIMWAKADGJDVMP-FQEVSTJZSA-N 425.529 4.272 5 20 IIBD CC(=O)N(c1nc(Cn2cc(Cl)cc([N+](=O)[O-])c2=O)cs1)c1cccc(C)c1C 432253724 PEWBIDOQJQOZMG-UHFFFAOYSA-N 432.889 4.216 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2nccn2CCCc2ccccc2)cc1SC 434366408 GSDWYGVJZWZJMI-UHFFFAOYSA-N 440.525 4.085 5 20 IIBD CC(=O)N1CCN(Cc2ccccc2NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 436411740 PTXTYKCWVROHGB-UHFFFAOYSA-N 434.496 4.131 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@H](C)c3nc(C(C)(C)C)no3)cc2[N+](=O)[O-])C1 437136230 PQUGZBDYVJWZJU-RBSFLKMASA-N 429.521 4.249 5 20 IIBD CCN(CC)[C@@H]1CCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 437200077 GPXIFPYEUWXRQE-MRXNPFEDSA-N 444.919 4.057 5 20 IIBD CO[C@@H](C)c1nc(CNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])cs1 439610142 KDKLBCSVPKHWEY-ZDUSSCGKSA-N 448.526 4.172 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccc(-c2cccc(C)c2)cc1 440056143 SBZJUXFBGBPSCK-UHFFFAOYSA-N 433.464 4.224 5 20 IIBD CC[C@H](Cc1ccccc1Br)N(C)C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 441849192 ZETDZTCZUJZJOJ-MRXNPFEDSA-N 448.317 4.084 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 444655538 WECCXHOZMAQJOV-UHFFFAOYSA-N 427.530 4.049 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(C[S@@](=O)Cc3ccn(-c4ccccc4F)n3)co2)cc1 445543069 XPBPOOVIXPGOQD-PMERELPUSA-N 426.429 4.024 5 20 IIBD CCn1ncc2c(C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)cc(-c3ccccc3)nc21 446440571 JJBWPWRFTKULAK-UHFFFAOYSA-N 427.464 4.225 5 20 IIBD C[C@@H]1OCC[C@@]12CN(C(=O)Nc1cccc(Oc3ccc([N+](=O)[O-])cc3)c1)C[C@@H](C)O2 447978204 PRVJTYGFSHINHH-ZMPRRUGASA-N 427.457 4.187 5 20 IIBD Cc1ccc(CNC(=O)c2cc(C(=O)NCc3ccc(C)s3)cc([N+](=O)[O-])c2)s1 460693052 MHBMKOXGSZNBML-UHFFFAOYSA-N 429.523 4.195 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@H]4CCC[C@@H]43)cc2)cc1[N+](=O)[O-] 461489645 QOHUWMMUWZYCGP-UZLBHIALSA-N 443.525 4.109 5 20 IIBD Cc1cccc(-c2nnc(N(Cc3ccccc3[N+](=O)[O-])C3CC3)n2C[C@@H]2CCCCO2)n1 461723986 ZXNMYANAPHXTBN-FQEVSTJZSA-N 448.527 4.295 5 20 IIBD Cc1ccc([C@H]2OCCC[C@H]2CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])cc1 463063526 HLMDSJWGQDRTQB-WMZHIEFXSA-N 434.496 4.448 5 20 IIBD CCO[C@@H](C)c1nc(CN2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)cs1 463075107 WYOZIHYVXXYNKU-HNNXBMFYSA-N 427.530 4.019 5 20 IIBD COc1cc(CCNC(=O)c2cc(C3CC3)nc3ccc(F)cc23)c([N+](=O)[O-])cc1OC 463349312 FTAPJFYIBRVODE-UHFFFAOYSA-N 439.443 4.149 5 20 IIBD CC[C@H]1Oc2cc([C@@H](C)NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)ccc2NC1=O 465355131 DRXYXPCHDLWOFS-BDJLRTHQSA-N 425.466 4.410 5 20 IIBD COC[C@H]1CCCCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 466842875 SLYXMCFFAYTJIS-HNNXBMFYSA-N 443.466 4.105 5 20 IIBD C[C@H]1CN(Cc2ccccc2NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)O1 467168614 JTHNMQNHLBENQU-GASCZTMLSA-N 432.908 4.179 5 20 IIBD Cc1ccc(CN(Cc2cccs2)C(=O)c2n[nH]cc2[N+](=O)[O-])c(Br)c1 467806664 JUZGBDCFRGGPKC-UHFFFAOYSA-N 435.303 4.293 5 20 IIBD CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N)cc1 469139451 XQMQYBGIYGLTTH-UHFFFAOYSA-N 441.465 4.015 5 20 IIBD COC1CCC(C)(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 471259127 LWIHLILBDOZXMC-CFHWWMOJSA-N 426.517 4.488 5 20 IIBD O=C(NCCn1cc(Br)cn1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 476156197 NTZKJIQUIFPVJN-UHFFFAOYSA-N 446.261 4.168 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC2(CCN(Cc3ccccc3)C2)CC1 477056461 LDSQGZZPJNASSN-UHFFFAOYSA-N 436.556 4.302 5 20 IIBD O=[N+]([O-])c1cccc(N(Cc2ncc(Cl)s2)S(=O)(=O)c2ccc(F)c(F)c2)c1 478921918 BFTGJRLNHPVAOD-UHFFFAOYSA-N 445.856 4.378 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](c1cc(F)cc(Br)c1)C1CC1 481739438 GLDMXEMFAAPMTB-IBGZPJMESA-N 436.281 4.484 5 20 IIBD COc1ccccc1CN(Cc1cccs1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 484867197 YAKGQIZDQJGQCG-UHFFFAOYSA-N 426.450 4.236 5 20 IIBD CCCCS(=O)(=O)c1ccc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 486705104 HWZOXEVSBKDRGI-UHFFFAOYSA-N 444.431 4.117 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)NCc1ccc(Cl)cc1I 486880962 CTULIONKVGVSEX-UHFFFAOYSA-N 444.656 4.102 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 490135082 GCYVCBDUOWXKGX-IAGOWNOFSA-N 435.590 4.058 5 20 IIBD C[C@H]1C[C@@H]1c1cc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n[nH]1 490250952 SATBFWVBANDRHR-FZMZJTMJSA-N 437.422 4.315 5 20 IIBD COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1Br 490828828 SPEYURPDRQWQJG-INIZCTEOSA-N 427.682 4.470 5 20 IIBD COc1cc(CN2CCC(C(=O)c3ccccc3)CC2)c([N+](=O)[O-])cc1OCC(F)F 491067325 PQUYRROTLVMJMX-UHFFFAOYSA-N 434.439 4.342 5 20 IIBD CCOc1cc(CN2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)ccc1[N+](=O)[O-] 492535786 MJEQQKXPWFISLQ-UHFFFAOYSA-N 437.540 4.397 5 20 IIBD CC(C)OC(=O)[C@@H](C)N(C)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 495361278 ZQSPJEVXHZUTNG-CQSZACIVSA-N 433.892 4.272 5 20 IIBD COc1ccc(-c2csc(NC(=O)CSc3ccccc3[N+](=O)[O-])n2)cc1OC 497438661 XCPOXRUBLQUOMY-UHFFFAOYSA-N 431.495 4.466 5 20 IIBD CCCCNC(=O)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 497480163 SKLHRJLUVSUSPC-KRWDZBQOSA-N 425.485 4.156 5 20 IIBD CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 498711618 DUHBKJCEOWXDKZ-INIZCTEOSA-N 430.511 4.173 5 20 IIBD CCc1cc(=N[C@@H](c2cccc(F)c2)c2nccn2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 498825591 URVUADBUZVLKDG-NRFANRHFSA-N 432.459 4.110 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc([C@H]2CN(Cc3ccccc3)CCO2)no1 500833447 HTQPGOFGEFJYTE-AUUYWEPGSA-N 444.875 4.345 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(I)c(Cl)c2)c1 501250562 MKSGFKXANOPJDS-UHFFFAOYSA-N 430.629 4.091 5 20 IIBD COc1ccc(CSCC(=O)Nc2cccc(OCc3cccnc3)c2)cc1[N+](=O)[O-] 502098370 JJWMYQOEIWCAOE-UHFFFAOYSA-N 439.493 4.449 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 503561617 DSKLVPNWQOZADS-AABGKKOBSA-N 449.429 4.328 5 20 IIBD CCCOc1cc(NC(=O)N[C@@H](C)c2nnc3ccccn23)c([N+](=O)[O-])cc1OCCC 503984313 DITHRIRLJWWBMT-AWEZNQCLSA-N 442.476 4.098 5 20 IIBD Cc1cc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nn1-c1ccc(F)cc1F 505364571 RZIJPLMKEGJXBZ-UHFFFAOYSA-N 442.422 4.051 5 20 IIBD O=C(Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1)c1ccc([N+](=O)[O-])c(O)c1 505514698 LAYBJBMMQPTNMO-UHFFFAOYSA-N 431.448 4.075 5 20 IIBD COc1cc(CN(CC(=O)Nc2ccc(F)cc2)C(C)C)c([N+](=O)[O-])cc1OC(F)F 506758961 NLKOIQJWNBGKER-UHFFFAOYSA-N 441.406 4.193 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC1(Cc2cccc(F)c2)CCOCC1 508727547 DMRCDOXXISRXEG-UHFFFAOYSA-N 444.506 4.202 5 20 IIBD CCCOc1cc(NC(=O)c2coc(C3CCOCC3)n2)c([N+](=O)[O-])cc1OCCC 509105571 DFDGSUNZGHDSOB-UHFFFAOYSA-N 433.461 4.307 5 20 IIBD Cc1c(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)ccc(F)c1N1C(=O)CNC1=O 509403849 VIPVGASDXSAHHQ-UHFFFAOYSA-N 440.456 4.439 5 20 IIBD COc1ccc(CSCC(=O)N2CCCc3cccc(OC(F)F)c32)cc1[N+](=O)[O-] 511524495 RLZZZNKFLYHPKQ-UHFFFAOYSA-N 438.452 4.417 5 20 IIBD CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 511741330 IDOVPMYGDPZWAI-LJQANCHMSA-N 446.345 4.388 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O 513613008 ABDCRVATCFRNCJ-QFBILLFUSA-N 427.476 4.141 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 514762487 LRXISTLDLFYDRL-UHFFFAOYSA-N 425.828 4.295 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCN(C(=O)CCc2ccccc2)CC1 515216310 QZVFELCIUOEWKY-UHFFFAOYSA-N 447.438 4.006 5 20 IIBD CCCOc1ccc(Oc2ncccc2CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 515752786 LMUYUNRSFDTHGE-UHFFFAOYSA-N 443.481 4.049 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCCCN2CCCC[C@H]2C)cc1[N+](=O)[O-])c1ccccn1 516382186 HEEXJFPBNWDNIF-MSOLQXFVSA-N 425.533 4.157 5 20 IIBD O=C(c1ccccc1)c1cccc(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 517901540 KDKDYOKMRVOPDH-UHFFFAOYSA-N 430.464 4.180 5 20 IIBD CCN1CC[C@H](N(C)C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C[C@@H]1C 524879794 IFLHIEYDMYFOSK-SCTDSRPQSA-N 425.533 4.108 5 20 IIBD Cc1ccc(NCCCNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)nc1 530883961 AVGSGPITVDXZKX-QGZVFWFLSA-N 434.500 4.098 5 20 IIBD O=C(NCCOc1c(Cl)cc(Cl)cc1Cl)c1cc2c(cc1[N+](=O)[O-])OCO2 531426140 HBTIXKYQVHKMIK-UHFFFAOYSA-N 433.631 4.093 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 532968297 BCROGTKGCKJLMC-UKRRQHHQSA-N 433.867 4.309 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CSc3nnc([C@H]4COc5ccccc5O4)o3)co2)cc1 536299648 QCCFHCSOPJBFPU-QGZVFWFLSA-N 438.421 4.438 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1cnc(C)nc1C 537391631 AJEUYCRYEBJKQX-UHFFFAOYSA-N 426.454 4.159 5 20 IIBD CN(C)CCn1ccc2ccc(NC(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])cc21 538330110 VPDXYBFVVPRBJD-UHFFFAOYSA-N 429.480 4.425 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 542528900 FKIVAJDVRZTZGH-ONGXEEELSA-N 447.845 4.302 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(OCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)n1 542912635 OJHJBOBVYHVURR-OAHLLOKOSA-N 426.454 4.018 5 20 IIBD COc1cc(C(=O)N2CCC[C@H]2c2ccc(Br)s2)cc([N+](=O)[O-])c1OC 544165380 KDZLISFUDIEPID-NSHDSACASA-N 441.303 4.413 5 20 IIBD CC(=O)N(c1ccccc1)c1nc(/C=C\c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)cs1 545785539 YYFBQVQAYQHQHK-NTMALXAHSA-N 448.464 4.275 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1 546071507 WZNAEJFLNIZJBK-UHFFFAOYSA-N 426.416 4.233 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1noc(Cc2cn3cc(Cl)cc(Cl)c3n2)n1 546382347 AAEFTZQMNKBTMO-UHFFFAOYSA-N 433.255 4.178 5 20 IIBD CC[C@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)CCn1cc([N+](=O)[O-])nc1C 547960401 DPHNSLIELBUWNE-IBGZPJMESA-N 425.533 4.238 5 20 IIBD O=C(Cc1noc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1)Nc1ccc(F)cc1 558008329 QABKEMZAGLGIKR-UHFFFAOYSA-N 425.401 4.089 5 20 IIBD COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 559439747 BGNJVDOKPTYYQT-FQEVSTJZSA-N 436.489 4.260 5 20 IIBD COC(=O)c1cc(NC(=O)CSc2ccccc2[N+](=O)[O-])c(C)cc1Br 570721626 MBWURZJADVEHLI-UHFFFAOYSA-N 439.287 4.183 5 20 IIBD NC(=O)c1ccnc(NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)c1[N+](=O)[O-] 573376423 AQGZSKKDUKISCT-INIZCTEOSA-N 435.871 4.467 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 580666005 XBTCVYDOTXFDMY-FDDCHVKYSA-N 425.554 4.200 5 20 IIBD C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 588233241 KHPHIUIQFKPIFK-ROUUACIJSA-N 438.528 4.419 5 20 IIBD Cc1c(C(=O)N(CCc2ccccc2F)C2CCCC2)nnn1-c1cccc([N+](=O)[O-])c1 603569310 IHHRFWNIQUEXBY-UHFFFAOYSA-N 437.475 4.251 5 20 IIBD O=C(c1ccccc1)N1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 603865049 OTYUZROEJCQFFX-UHFFFAOYSA-N 445.475 4.375 5 20 IIBD COc1ccccc1OCC(=O)Nc1cccc(Nc2nc3sccn3c2[N+](=O)[O-])c1 603871579 HAVWXGQSVKWECR-UHFFFAOYSA-N 439.453 4.074 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 604476375 ZIMLSSLBEYUYAA-NRFANRHFSA-N 433.443 4.324 5 20 IIBD CCN1C[C@H](CN(C)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)Oc2ccccc21 604518565 AKSVNVSPJONRSO-KRWDZBQOSA-N 438.509 4.078 5 20 IIBD CCCc1ccc(-c2cc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)n(CCO)n2)cc1 608943788 DEUQOEJZVOUPGK-UHFFFAOYSA-N 434.452 4.402 5 20 IIBD C[C@H](NC(=O)[C@@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1)c1cccc([N+](=O)[O-])c1 609057293 HKDFBKKTPFEFJI-YWZLYKJASA-N 441.553 4.285 5 20 IIBD COc1ccc(-c2nsc(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)n2)cc1 609127622 MJOAWCAKZZOFMQ-UHFFFAOYSA-N 439.478 4.498 5 20 IIBD CCOC(=O)CN(C)C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 609167645 BASHDUYEPGBWJG-FOWTUZBSSA-N 439.493 4.157 5 20 IIBD CC[C@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 609530811 GWTQYKCAXOOTBU-ZFWWWQNUSA-N 431.876 4.140 5 20 IIBD Nc1c(C(=O)Nc2cccc(C[S@](=O)Cc3ccccc3)c2)cc(F)cc1[N+](=O)[O-] 609702629 HISAHWBDUQKGJS-SSEXGKCCSA-N 427.457 4.017 5 20 IIBD CN(C)Cc1cccc(CNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c1 609873769 AIHBKCLJEBHUHW-UHFFFAOYSA-N 448.310 4.079 5 20 IIBD Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 609909125 XWKPPNDHHSTZEH-LJQANCHMSA-N 433.493 4.259 5 20 IIBD COC(=O)c1ccc(OC(C)C)c(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c1 610043018 WBCUJYXVXKGFQJ-UHFFFAOYSA-N 437.246 4.183 5 20 IIBD COc1cc(C(=O)NCc2ccc(CN3C[C@@H](C)C[C@H](C)C3)cc2)cc([N+](=O)[O-])c1OC 610196091 LCHYEMBERDTZSS-IRXDYDNUSA-N 441.528 4.020 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)c1 610485439 AGFUUIDDEJRWOH-UHFFFAOYSA-N 449.916 4.167 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)CCc1ccc2ccccc2n1)c1ccccc1[N+](=O)[O-] 610925462 PFMNUZJVAFNMAQ-NRFANRHFSA-N 435.480 4.275 5 20 IIBD O=C(NC1CCN(Cc2ccccn2)CC1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611201163 UUWZDGZLIKWRGO-UHFFFAOYSA-N 440.569 4.419 5 20 IIBD CSc1cccc(C(=O)N[C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] 614423754 HHAXPOOXMSGXOU-DFQSSKMNSA-N 425.554 4.347 5 20 IIBD CCOc1ccc2c(c1)[C@H](NC(=O)Cn1c3ccccc3c(=O)c3ccccc31)CCO2 681369943 XKPYCGXIIOUQJO-OAQYLSRUSA-N 428.488 4.193 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CNCc2ccc(-n3cncn3)nc2)cc1 725845999 PWQIZVWSKIUDLA-UHFFFAOYSA-N 436.859 4.306 5 20 IIBD C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1c(Cl)cccc1Cl 726316385 ZRFNPCBZFFSNBD-SECBINFHSA-N 430.675 4.413 5 20 IIBD CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)cc2)cc1 726519002 OQMIEMXMUBCADM-TVPGTPATSA-N 438.461 4.443 5 20 IIBD COc1ccc(NC(=S)/C(=C(/O)c2cccc([N+](=O)[O-])c2)[n+]2cccc(O)c2)cc1F 726576586 WKPJBPPTAWCPBE-UHFFFAOYSA-O 442.448 4.059 5 20 IIBD O=C(Nc1ccccn1)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)c1 726756898 QQCAXUWYGFLZFW-UHFFFAOYSA-N 441.241 4.257 5 20 IIBD Cc1oc(-c2ccsc2)nc1CC(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 727021609 AMARGZMNOKVAFY-ZDUSSCGKSA-N 429.454 4.041 5 20 IIBD Cc1oc(-c2ccsc2)nc1CC(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 727023662 VBMIETTURZTQKD-LLVKDONJSA-N 449.872 4.386 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)cc1[N+](=O)[O-] 727490942 XFXSBYDNLGLFIT-KRWDZBQOSA-N 440.239 4.332 5 20 IIBD C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cccc([N+](=O)[O-])c1 728922826 ANQFCHFRTAIXCV-MRXNPFEDSA-N 432.498 4.078 5 20 IIBD O=C(Cc1c[nH]c2cc(Cl)ccc12)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730703527 HULJQQIIXSHBPI-INIZCTEOSA-N 441.871 4.120 5 20 IIBD CC(C)N(C)c1ccc(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1F 731782761 GJYQIEQGTKDFLV-UHFFFAOYSA-N 446.298 4.142 5 20 IIBD COc1cc(-c2noc(-c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)n2)cc(Cl)c1OC 731799011 VMWYZLPKLFSJEH-UHFFFAOYSA-N 427.804 4.168 5 20 IIBD Cc1ccc(OCc2cccc(C(=O)OCc3nc(-c4cccc([N+](=O)[O-])c4)no3)c2)cn1 734054817 GPOZUQDGEDCIOH-UHFFFAOYSA-N 446.419 4.284 5 20 IIBD O=C(Oc1cccc(NC(=O)c2cccs2)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 734117543 UFFGRZNTBPMCHG-UHFFFAOYSA-N 434.433 4.314 5 20 IIBD C[C@@H](NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1nc2ccccc2s1 734156248 LACZWQJUZIOGIS-SECBINFHSA-N 442.316 4.007 5 20 IIBD O=C(NC[C@H](O)c1ccccc1F)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 746713970 WJNJXVCBKHRUJS-NRFANRHFSA-N 443.862 4.463 5 20 IIBD Cc1c(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748621994 VLGCNINIUIDVTM-UHFFFAOYSA-N 446.847 4.262 5 20 IIBD COc1ccc(C(=O)OCc2ccnc(-c3ccc(Br)cc3)n2)cc1[N+](=O)[O-] 749986330 ABRHFDFKDRZTCV-UHFFFAOYSA-N 444.241 4.180 5 20 IIBD C[C@H](OC(=O)c1ccnc2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 750042618 VZXIYOHVVBCULL-NSHDSACASA-N 433.342 4.346 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)c1cc[nH]c1 750495158 GDCKFIZQOPGHLW-KRWDZBQOSA-N 444.241 4.222 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CCOC[C@@H]1c1ccccc1 750889857 FREGGHZQGAAJHA-OAHLLOKOSA-N 425.666 4.224 5 20 IIBD COC[C@@H](OC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(F)(F)F 752539894 FRVGPOFNZSLNTE-GOSISDBHSA-N 449.385 4.111 5 20 IIBD C[C@@H](OC(=O)c1c(F)ccc([N+](=O)[O-])c1F)C(=O)N[C@H](C)c1cccc2ccccc12 752560233 VZUKQSYLZAYMKS-CHWSQXEVSA-N 428.391 4.449 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)cc1[N+](=O)[O-] 753066657 TYMTTWGCFHJXET-UHFFFAOYSA-N 437.905 4.030 5 20 IIBD CSCC(=O)Nc1ccc(OC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1 753489363 VDDMEQDAYDZNLJ-UHFFFAOYSA-N 439.287 4.186 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Oc2cccc(CNC(=O)OC(C)(C)C)c2)cc1[N+](=O)[O-] 755098620 AJHHQNUYXGBDGG-UHFFFAOYSA-N 436.486 4.004 5 20 IIBD Cc1ccc(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(Br)n1 756427826 OUPPXYPOSNVNBB-SNVBAGLBSA-N 433.218 4.029 5 20 IIBD CCOc1cc(CNC(=O)c2cccc([N+](=O)[O-])c2Br)ccc1OC(F)F 758085445 AUJKOQLXDNUXLC-UHFFFAOYSA-N 445.216 4.287 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cn2c(=S)oc3ccc([N+](=O)[O-])cc32)C1 758402269 HRBKEITYQIWSOD-ZIAGYGMSSA-N 436.534 4.455 5 20 IIBD C[C@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc12)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 759800417 KOAPMEDJAWLMSY-UGSOOPFHSA-N 439.472 4.312 5 20 IIBD Cc1cc(OC(C)C)ccc1NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 760345633 WTHGPYGIOPCPPI-UHFFFAOYSA-N 429.292 4.254 5 20 IIBD Cc1nn(CN2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)c2cc([N+](=O)[O-])ccc12 761294012 XMUGNYNWXDHMBE-UHFFFAOYSA-N 432.402 4.223 5 20 IIBD CN(C)c1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)c2c[nH]c3ccccc23)cc1 761456417 YQYWRERTRABLOC-IBGZPJMESA-N 431.496 4.043 5 20 IIBD CC(C)[C@@H](NC(=O)OC(C)(C)C)c1noc(-c2ccn(-c3cccc([N+](=O)[O-])c3)n2)n1 762025218 LNAHTRANXUNARW-MRXNPFEDSA-N 428.449 4.052 5 20 IIBD O=C(O[C@@H]1CCc2c(Cl)cc(Cl)cc21)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 766848129 NHAVKYUDBSZOET-QGZVFWFLSA-N 449.246 4.399 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 769922765 CJOAYIHCZRMLFS-UHFFFAOYSA-N 436.509 4.104 5 20 IIBD Cc1ccc2cc(C(=O)OCC(=O)Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc2n1 773235511 KUNJUFJMULKCSS-UHFFFAOYSA-N 433.342 4.266 5 20 IIBD COc1ccccc1COC1CCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 774639748 MIXQOLNFDZSZSZ-UHFFFAOYSA-N 430.892 4.245 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cc(Br)ccc2F)c(C(F)(F)F)c1 776883988 VEKMADBOAQOURP-UHFFFAOYSA-N 444.156 4.283 5 20 IIBD Cc1ncc(C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)c(C)n1 777195289 LYAXJIALTJKAPD-LJQANCHMSA-N 440.843 4.192 5 20 IIBD CC(C)(C)OC(=O)N1CCc2cc(NC(=O)c3cc([N+](=O)[O-])c4nsnc4c3)ccc21 778256129 SZAUPCYSEHENKY-UHFFFAOYSA-N 441.469 4.149 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NC(=O)c1ccc(N)c([N+](=O)[O-])c1 779350199 BNLSGOVEOISRRY-SFHVURJKSA-N 426.473 4.331 5 20 IIBD C[C@H](OC(=O)c1cccc(Br)c1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 780129628 PVHVUIAJUQGRST-VIFPVBQESA-N 427.638 4.195 5 20 IIBD COc1ccc(CNC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC1CCCC1 781630948 YPADKXCOAMSBRS-UHFFFAOYSA-N 443.456 4.082 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cc(CC2CC2)nn1-c1ccccc1 781751280 VPOOVPRIHCTSJN-UHFFFAOYSA-N 435.440 4.213 5 20 IIBD C[C@H](C(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F 787783728 RKFQMVWGWBULTB-INIZCTEOSA-N 443.475 4.002 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)N(c2cnc3ccccc3c2)C(C)C)c(C)c1[N+](=O)[O-] 788555844 UOTYCYJBPIWFIK-UHFFFAOYSA-N 444.469 4.272 5 20 IIBD O=C(N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C1(Cc2ccc(F)cc2)CC1 791252447 YMCWLCJIHISTAW-UHFFFAOYSA-N 433.277 4.404 5 20 IIBD O=[N+]([O-])c1ccc(CNC2(c3cccc(OC(F)(F)F)c3)CCOCC2)c([N+](=O)[O-])c1 792880457 FCXNKQDGHGZVNL-UHFFFAOYSA-N 441.362 4.197 5 20 IIBD COc1ccc([C@@H]2C[C@H]2NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 794147896 NXKHCJDCAFZIJY-WQFQCULDSA-N 432.480 4.457 5 20 IIBD CCOC(=O)/C(=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc([N+](=O)[O-])cn1 794947965 BVGNNXFWRPTRQS-SXGWCWSVSA-N 426.410 4.125 5 20 IIBD CCc1ccc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] 800376544 FODACYXXADFDKI-VQTJNVASSA-N 439.512 4.290 5 20 IIBD COc1cccc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2N)c1OCc1ccccc1F 801556583 BGVCCMFSBCFUGZ-UHFFFAOYSA-N 439.443 4.176 5 20 IIBD O=C(OCc1nc2cc(Br)ccc2o1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 803358801 XOWWVNVQMINZIV-UHFFFAOYSA-N 444.197 4.109 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)C(=O)NCc1ccccn1 805953813 AEJDKMRNHYNKGK-OAHLLOKOSA-N 443.525 4.134 5 20 IIBD C[C@@H]1[C@H](c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)CCN1C(=O)OC(C)(C)C 809434010 RADFQRNVJUKTAY-IUODEOHRSA-N 427.461 4.163 5 20 IIBD CC(=O)N(CCC(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccccc1 811216299 KUSQYLPCZNRASP-UHFFFAOYSA-N 439.493 4.200 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](CNC(=O)C(F)(F)F)C1 812277137 SAMGUPCYESSIBQ-ZDUSSCGKSA-N 447.479 4.018 5 20 IIBD CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCC([C@@H](O)c2ccc(OCC)cc2)CC1 812482168 TVMANNWGWALHRJ-QFIPXVFZSA-N 446.475 4.259 5 20 IIBD CCCCN1C(=O)CC[C@H](c2nc(CCC(C)(C)[N+](=O)[O-])no2)[C@H]1c1ccc(OC)cc1 812813490 LUJPMUICYVCQHA-GHTZIAJQSA-N 444.532 4.314 5 20 IIBD C[C@@H](c1ccc(F)cc1)N1CC[C@H](OC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1=O 815236182 RJOQMWUPJKFJKE-WNSKOXEYSA-N 444.462 4.339 5 20 IIBD O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)c1cccc([N+](=O)[O-])c1Cl 816928681 OEQPDCULSZJXQW-UHFFFAOYSA-N 438.311 4.175 5 20 IIBD COC(=O)Nc1cc(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc(C(F)(F)F)c1 817038110 LWHLSDDHSISBBH-UHFFFAOYSA-N 425.363 4.457 5 20 IIBD C[C@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 819469503 RKUDFPMLOIYPQS-KRWDZBQOSA-N 446.511 4.147 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)O[C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)c1 915439985 PADWWALERTYIAF-NVXWUHKLSA-N 432.498 4.029 5 20 IIBD O=C(O[C@H](C(=O)NCc1ccccc1)c1ccccc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 917331185 NIRQUKPJRKCCIM-QFIPXVFZSA-N 429.432 4.291 5 20 IIBD C[C@H]1CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c2ccccc2S1 917649115 OLNLFGORDVYWBI-NSHDSACASA-N 443.344 4.437 5 20 IIBD COc1ccc(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC(F)F 919214607 VQHOLWIANWAWIG-JTQLQIEISA-N 435.339 4.173 5 20 IIBD C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCC[C@H]2c2cccc3ccccc23)C1=O 919950278 IBMHTHIOOCIKHQ-DHLKQENFSA-N 444.491 4.310 5 20 IIBD CCN(C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)[C@@H](C)c1cc2ccccc2o1 920010071 YUFBMUCQZRPEEI-HOCLYGCPSA-N 439.443 4.443 5 20 IIBD CC(C)(C)OC(=O)N1CCC(N(C(=O)CSc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 920246986 VMQWCFXIVDVTHZ-UHFFFAOYSA-N 435.546 4.077 5 20 IIBD O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CCc2c(ncn2CCc2ccccc2)C1 929070352 UNNWUXNPQKBDIA-UHFFFAOYSA-N 428.851 4.025 5 20 IIBD Cc1n[nH]c(C)c1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 1263848734 DQXHRQACVPTFRQ-UHFFFAOYSA-N 447.539 4.324 5 20 IIBD COc1ccccc1C1(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCC1 1318714994 KZRDLBDJSWFLQN-UHFFFAOYSA-N 431.297 4.268 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(-c3nn(-c4ccccc4F)cc3Br)n2)s1 1339210184 JSXKLGOEAYXREM-UHFFFAOYSA-N 436.222 4.461 5 20 IIBD Cc1ccc(C)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2cccc([N+](=O)[O-])c2)c1 1793945046 BWJAWHPBIFNPIM-WKCHPHFGSA-N 435.524 4.096 5 20 IIBD O=C(Cc1ccc(Cl)cc1[N+](=O)[O-])N1CCC2(CCCN(C(=O)C3=CCCC3)C2)CC1 1808957932 LATMIRVRMNJVJW-UHFFFAOYSA-N 445.947 4.132 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccccc2)[nH]n1)c1ccc([N+](=O)[O-])o1 1814311735 KLCJJMOOBLNMBF-RYRKJORJSA-N 449.467 4.021 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)[nH]n1)c1ccsc1 1816357532 GFATXRAJLYNAHZ-KRWDZBQOSA-N 443.460 4.138 5 20 IIBD CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)CC2)CCCC1 1823847274 FIAHILGXTRJEMS-IBGZPJMESA-N 443.544 4.114 5 20 IIBD Cc1ccoc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830495945 YWOLJSDDSNTRRN-FQEVSTJZSA-N 443.475 4.182 5 20 IIBD Cc1ccc(-c2ccccc2C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc([N+](=O)[O-])o2)cc1 1847171381 MUXHZUKNUOTJTM-SFTDATJTSA-N 445.475 4.292 5 20 IIBD CSc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] 9621679 RYQQGVKRSASIKJ-SNVBAGLBSA-N 426.397 4.102 5 20 IIBD CCc1cc(Nc2ccc(NS(=O)(=O)CC)cc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 64914798 LREQNQBSJCIITI-UHFFFAOYSA-N 427.486 4.119 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(CN3CCCC[C@H]3C)cc2)cc1OC 60425981 RFOARJDGWVHPPE-QGZVFWFLSA-N 441.528 4.307 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)c2ncc3c(n2)-c2ccccc2SC3)c1C 508089071 NGATWBRKDIQEIY-UHFFFAOYSA-N 442.522 4.099 5 20 IIBD Cc1cc(N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nn1CCCOc1ccc(F)cc1 504395182 QWMLJUHHJYOLDG-INIZCTEOSA-N 441.463 4.147 5 20 IIBD C[C@@H](c1ccccc1Br)N(C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 503672944 VQHFWTRHZIKJRT-ZDUSSCGKSA-N 429.274 4.376 5 20 IIBD COc1cc(CNCC(=O)Nc2cccc(F)c2)c([N+](=O)[O-])cc1OCc1ccccc1 507918173 BAEIOIPFJHVCSF-UHFFFAOYSA-N 439.443 4.050 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccc(OC2CCCC2)nc1 501323995 AYLDKDNBXNHOAO-UHFFFAOYSA-N 427.504 4.188 5 20 IIBD C[C@@H](NC(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)c1cccc([N+](=O)[O-])c1 509702054 ZBJAJAPHTCHUSQ-GFCCVEGCSA-N 437.481 4.486 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cnc2c(cnn2Cc2ccccc2)c1 509699568 QYAVEXHCJRZWOP-UHFFFAOYSA-N 429.480 4.439 5 20 IIBD CCOc1ccc(-c2noc(CCC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2)cc1 509721466 WVPVQEDHLJGPFQ-UHFFFAOYSA-N 438.484 4.413 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN(CCc2ccccc2)C1 506208822 STTJGYQBZNNVLX-LJQANCHMSA-N 427.570 4.391 5 20 IIBD CCCOc1ccc(NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)cc1OCCC 514902526 ZMBDPTROFDDWGM-UHFFFAOYSA-N 439.472 4.314 5 20 IIBD COc1ccc(C2(CNC(=O)CNc3ccccc3[N+](=O)[O-])CCCCC2)cc1OC 511875976 XIFXTMGWXZNFBG-UHFFFAOYSA-N 427.501 4.042 5 20 IIBD Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c1 518794116 MMCWBEPBUZWIHU-UHFFFAOYSA-N 445.483 4.219 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2C(=O)N[C@](C)(c3cccs3)C2=O)cc1OC 513640994 VFQMRASGDAZLQV-LRTDBIEQSA-N 447.513 4.057 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(OCc2cn3ccccc3n2)c1 513352646 CWHPVJJWIMJLTM-UHFFFAOYSA-N 430.464 4.136 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2ccc(C(=O)N(C)C)c(Cl)c2)cc1[N+](=O)[O-] 510012306 YBRWZRUEHZSJNO-UHFFFAOYSA-N 440.681 4.273 5 20 IIBD Cc1ccccc1C[C@@H](C)NC(=O)CSc1nc2cc3ccccc3cc2c(=O)n1C 515423572 TURQHUVZGZZCQY-QGZVFWFLSA-N 431.561 4.235 5 20 IIBD CCC[C@H](Cc1ccccc1)N(CCC)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 513404732 OJNLNAHJMMVUGI-LJQANCHMSA-N 432.542 4.262 5 20 IIBD O=C(NC1CCN(Cc2ccc(F)cc2)CC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 438011974 LRRZMYMFGNYCKZ-UHFFFAOYSA-N 426.492 4.073 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H]1CCCOc2ccccc21 523362108 UESUDPDUNJCZQG-OAHLLOKOSA-N 438.406 4.239 5 20 IIBD O=C(NCc1ccc(N2CCCCCC2)nc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 436074817 LHCIRKUJGKSDAT-UHFFFAOYSA-N 426.520 4.387 5 20 IIBD CCN(CCC(=O)O)C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 431448042 WMLPBASSGIQILM-DTQAZKPQSA-N 439.493 4.458 5 20 IIBD COC(=O)c1cc(OCc2ncc(-c3ccc(Br)cc3)o2)ccc1[N+](=O)[O-] 525116072 KRJFLRJHLNHCIV-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD COc1cc(CN2CCC(c3ncc4n3CCCC4)CC2)c([N+](=O)[O-])cc1OC(F)F 434684380 KWZRASFUGXUZLT-UHFFFAOYSA-N 436.459 4.117 5 20 IIBD CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 522528803 PAINIYBYZPKRJM-SSEXGKCCSA-N 429.542 4.495 5 20 IIBD Cc1cc(NC(=O)Cc2cc(F)ccc2Br)n(-c2ccc([N+](=O)[O-])cc2)n1 433947178 ASFNHKXAFMIISW-UHFFFAOYSA-N 433.237 4.172 5 20 IIBD Cn1cc(CN(Cc2ccc(Cl)cc2)C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cn1 431234832 IYKAHXQFTUBZRJ-UHFFFAOYSA-N 433.295 4.407 5 20 IIBD CCCn1ccnc1CCCN(C)C(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 430502234 UOJOCWCUAWPZIW-RTBURBONSA-N 441.576 4.388 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1-c1nc(-c2cccc(CN3CCOCC3)c2)no1 438748969 AAXKIUQVLNMGIK-UHFFFAOYSA-N 434.374 4.163 5 20 IIBD O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 608800755 FGCNCOVRWZBEIJ-MRXNPFEDSA-N 426.860 4.247 5 20 IIBD COc1ccc(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cc1OCC(F)(F)F 524210450 CIGIKIYHCOITMP-UHFFFAOYSA-N 437.330 4.051 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1 520038232 RCSQNCUTHYYSEY-UHFFFAOYSA-N 449.872 4.457 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 609997643 VLMSXJRHWSILHB-UKRRQHHQSA-N 434.851 4.276 5 20 IIBD CCSc1nccnc1-c1noc(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 438933729 UITCXHOOGSFZSJ-UHFFFAOYSA-N 440.407 4.220 5 20 IIBD O=C(Nc1ccccc1COCc1ccccc1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 520966308 DBZQCLVBXJIWSO-UHFFFAOYSA-N 429.436 4.145 5 20 IIBD CC(C)(C)OCc1cccc(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 523870262 YXDVPDMISLWDCC-UHFFFAOYSA-N 425.529 4.443 5 20 IIBD C[C@@H](SCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1nc(Cc2ccccc2)no1 437264712 FXGLGFVJRKAMAV-CQSZACIVSA-N 440.481 4.361 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 603732607 JYUHHVRMKWTNIQ-UHFFFAOYSA-N 434.452 4.094 5 20 IIBD Cc1cc(Br)c(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cc1Cl 527334418 LWRAQGMEWMBWNQ-UHFFFAOYSA-N 427.638 4.343 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCC1(c2ccc(Cl)cc2)CCOCC1 447811416 NPELNNRUSHAIMG-UHFFFAOYSA-N 445.947 4.241 5 20 IIBD CCCN(C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 441439491 LYKPKXSTJXTRGP-UHFFFAOYSA-N 439.512 4.046 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)c1cccs1 603721719 IUMRGNMKPXCWQS-GOSISDBHSA-N 445.884 4.163 5 20 IIBD COc1cccc([C@H](Nc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)c2ccccc2Cl)c1 600850293 WJTVDBIUCDQURP-FQEVSTJZSA-N 447.900 4.106 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)NCCc3cccc(C(N)=O)c3)cc2[N+](=O)[O-])cc1 608825835 NXMPVRWZLNQQDT-UHFFFAOYSA-N 435.505 4.126 5 20 IIBD C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1cccc(NC(=O)Cc2ccccc2F)c1 603904538 UOHWRDCIFGRZHO-AWEZNQCLSA-N 437.427 4.112 5 20 IIBD CC[C@@H](C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1cccc(N2CCCC2)c1 609173972 CDQFPTCBZWIBSK-QVKFZJNVSA-N 442.491 4.117 5 20 IIBD C[C@@H](NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 602259915 DHAHTONNWXVMCP-FHIRATQRSA-N 449.554 4.012 5 20 IIBD O=C(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)Nc1ccc(N2CCc3ccccc32)cc1 609053667 KQBXOXREJAADRE-UHFFFAOYSA-N 440.463 4.186 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CN3CCO[C@@H](c4cccc(OC(F)F)c4)C3)co2)cc1 536342013 ZLSRCQCMEOLQHD-LJQANCHMSA-N 431.395 4.425 5 20 IIBD Cc1cccc(N2C[C@@H](C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)CC2=O)c1C 601908580 GXQOHBYTISTZAC-INIZCTEOSA-N 436.493 4.327 5 20 IIBD Cc1c(C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)nnn1-c1cccc([N+](=O)[O-])c1 609381448 KNPYGODEIRCPBN-NRFANRHFSA-N 430.468 4.333 5 20 IIBD O=C1C[C@@H](CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CN1Cc1ccccc1 447697271 XADCQBDTQXXXQA-ZDUSSCGKSA-N 444.360 4.105 5 20 IIBD O=[N+]([O-])c1ccc2nc(CN[C@@H](Cn3cnc4ccccc43)c3ccc(F)cc3)[nH]c2c1 444679904 NNINBPKORACYIW-NRFANRHFSA-N 430.443 4.491 5 20 IIBD COCCO[C@@H]1CCCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 536373112 AGAVASGWZJIVKY-NQIIRXRSSA-N 447.919 4.055 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NCCc1ccon1 539874780 NTMBGRMPGRTNQF-DTQAZKPQSA-N 434.477 4.482 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OC2CCCCC2)cc1 610103710 YIOQBVDKJLWTNT-UHFFFAOYSA-N 439.512 4.384 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCN(CC(F)(F)F)CC3)cc2[N+](=O)[O-])cc1 619729931 HUUYUVCUWNLGNE-UHFFFAOYSA-N 439.459 4.375 5 20 IIBD CCOCc1ccccc1CNC(=O)CSc1nc2cc3ccccc3cc2c(=O)n1C 613972862 HTKWLAQTCISNJA-UHFFFAOYSA-N 447.560 4.032 5 20 IIBD C[C@H](C(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2)c1cccc([N+](=O)[O-])c1 617702999 USAHYEZZAWJPDK-NWDGAFQWSA-N 435.274 4.109 5 20 IIBD O=[N+]([O-])c1ccc(-c2ncn(Cc3ncc(-c4ccccc4Br)o3)n2)cc1 610218251 NCLKCMKHJCGVJF-UHFFFAOYSA-N 426.230 4.319 5 20 IIBD COc1ccc(CC(=O)Nc2ccc(OC(F)(F)F)cc2Br)cc1[N+](=O)[O-] 534608515 SEYZKAIWMUNLIR-UHFFFAOYSA-N 449.179 4.446 5 20 IIBD CN(C[C@H](O)COCc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 530859476 UKNZSWYIDVPHAP-FQEVSTJZSA-N 436.464 4.037 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CC[C@@H]4[C@@H](CCC(=O)N4C4CC4)C3)c([N+](=O)[O-])c2)cc1 536393362 YWCGPNTVLAVTHK-GHTZIAJQSA-N 448.523 4.135 5 20 IIBD O=C(Nc1cccc2c1CN(c1nccs1)C2)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 536245379 WYSOLOJRFKJXHU-UHFFFAOYSA-N 432.465 4.010 5 20 IIBD COC(=O)c1occc1CN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@@H](C)c1ccccn1 534957645 MIGMIWUACPKVMK-AWEZNQCLSA-N 448.435 4.254 5 20 IIBD COc1cc([C@@H](C)N[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc(OC)c1OC 540324420 QXEWGGAIOZDVIR-CHWSQXEVSA-N 428.445 4.082 5 20 IIBD C[C@@H](CCC(C)(C)C)C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 543443136 QEJHJSSTHJBHMR-LBPRGKRZSA-N 425.532 4.285 5 20 IIBD O=[N+]([O-])c1ccc(CSc2nc(CN3CCOCC3)nc3ccccc23)c(Cl)c1 543861554 QLLVZVOMCDAWJU-UHFFFAOYSA-N 430.917 4.316 5 20 IIBD COc1cc(Cc2noc(COc3ccc(Br)cc3F)n2)ccc1[N+](=O)[O-] 545074939 GBXBPIMYIHTCCZ-UHFFFAOYSA-N 438.209 4.058 5 20 IIBD C[C@@H](C1CC1)N(C(=O)c1cc(C(=O)N(C2CC2)[C@@H](C)C2CC2)cc([N+](=O)[O-])c1)C1CC1 460671154 AOOMIIPPONQCRM-GJZGRUSLSA-N 425.529 4.401 5 20 IIBD CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 461335892 VBAUBEZYOVGPOO-FQEVSTJZSA-N 437.883 4.252 5 20 IIBD COCCCCc1noc(C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 544649439 PAUWXAHUTOHPDH-UHFFFAOYSA-N 428.411 4.350 5 20 IIBD COC(=O)c1cc(Br)cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 463554710 ZBCCPLYEDLLSND-UHFFFAOYSA-N 435.274 4.195 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3cccc(N4CCC4=O)c3)cc2[N+](=O)[O-])n1 468702980 FZJCLIRYGSAKBQ-UHFFFAOYSA-N 440.506 4.500 5 20 IIBD COc1cc(S(=O)(=O)Nc2nc3c(s2)C[C@@H](c2ccccc2)CC3)ccc1[N+](=O)[O-] 469352269 NGEMNZBJEQAVFD-AWEZNQCLSA-N 445.522 4.133 5 20 IIBD COCC[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 551723981 HJQMDDDEYAMTQI-SFHVURJKSA-N 426.300 4.232 5 20 IIBD CC[C@H](Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1)C(=O)O 463788144 QBZHYGTZJVNTDP-GFCCVEGCSA-N 446.403 4.068 5 20 IIBD O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 463215790 RLZIOPKVPYMQJU-UHFFFAOYSA-N 426.370 4.102 5 20 IIBD CN(CCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)Cc1ccncc1 556933740 LJUGTJSVKDQQKK-UHFFFAOYSA-N 434.496 4.376 5 20 IIBD O=C(c1cc(N2CCc3ccc(Br)cc3C2)ccc1[N+](=O)[O-])N1CCCC1 553227644 SNIAQBSODKSPHI-UHFFFAOYSA-N 430.302 4.156 5 20 IIBD COc1cc(C(C)=O)cc([N+](=O)[O-])c1OC[C@@H](O)COc1ccc(C(C)(C)C)cc1C 550207531 IWQTWKKMFRCUOQ-SFHVURJKSA-N 431.485 4.231 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccc(F)cc1)c1nccn1C 555799889 NJRFYPPRLGLKKI-QGZVFWFLSA-N 447.264 4.058 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 556451149 NNPFXMIMBQAHIP-KBXCAEBGSA-N 437.265 4.455 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 479752085 IXGWWIYDZJLDLQ-QGZVFWFLSA-N 438.253 4.410 5 20 IIBD C[C@H](Cc1cncc2ccccc12)C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 805877809 UDRJAIHLNNTKID-XLIONFOSSA-N 447.491 4.170 5 20 IIBD O=C(N[C@@H](CO)c1ccccc1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 479157473 LUZKDQYQZZCCGC-FQEVSTJZSA-N 425.872 4.324 5 20 IIBD CC(C)(C)OC(=O)NC[C@@]1(C)CCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 802655081 UDODFTYVUSAESV-GOSISDBHSA-N 428.327 4.094 5 20 IIBD CC[C@H](c1ccccc1)c1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 471516603 QPYZDVRQXKKMLR-CYBMUJFWSA-N 438.918 4.442 5 20 IIBD COc1cc2c(cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)O)c1)oc1ccccc12 471120046 CUDBNSSKOPXYNK-UHFFFAOYSA-N 442.405 4.002 5 20 IIBD C[C@H](NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)c1cccc(-n2cccn2)c1 809396087 VEDAKAAUFISTBS-NSHDSACASA-N 441.296 4.127 5 20 IIBD CCCOc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 472619456 BZUMSOOYPQQUDV-IBGZPJMESA-N 431.464 4.365 5 20 IIBD O=C(CC(F)(F)F)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 801570537 RWWVVJTZZDLNSV-UHFFFAOYSA-N 436.390 4.338 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccccc1)c1noc(-c2cc([N+](=O)[O-])ccc2N2CCCC2)n1 809512602 OFCQDENBRHDSED-HXUWFJFHSA-N 435.484 4.372 5 20 IIBD Cn1[nH]cc2c(=NC(=O)c3ccc([N+](=O)[O-])c(Sc4ccc(Cl)cc4)c3)ccnc1-2 801701435 NSTRDEOAFHFWSP-UHFFFAOYSA-N 439.884 4.307 5 20 IIBD COc1cncc(COC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 808495675 VRBURBQZKONWDA-UHFFFAOYSA-N 441.827 4.261 5 20 IIBD C[C@H](c1ccccc1)N1CC[C@](F)(COC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 802146872 QECYQXQAFPPHIN-OPAMFIHVSA-N 445.447 4.154 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1CSc1ccc(S(=O)(=O)N2CCCCC2)cn1 487738589 KMTIYMWBLWJMCY-UHFFFAOYSA-N 427.935 4.110 5 20 IIBD CCC[C@H](C(=O)OCc1cc(I)cc([N+](=O)[O-])c1)c1ccccn1 811036824 GLFTTXNPZSGVDD-HNNXBMFYSA-N 440.237 4.222 5 20 IIBD O=C(NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1)Nc1ccc([N+](=O)[O-])cc1Cl 486759382 HIELAWPVSLQULV-GFCCVEGCSA-N 447.797 4.120 5 20 IIBD CC(C)Oc1ccc(Cl)cc1NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 562910208 VEENCFZNKQWMLN-UHFFFAOYSA-N 446.891 4.025 5 20 IIBD C[C@H]1C[C@H](NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C(=O)N1c1ccccc1 485736966 JXSNQPPVNJVDCZ-JTSKRJEESA-N 445.475 4.098 5 20 IIBD Cc1ccc(C(=O)O[C@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)cc1NC(=O)c1ccco1 813170624 IXTRNWBOWIVPIC-FQEVSTJZSA-N 449.463 4.180 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(C)nc(-c3ccc(Cl)cc3)n2)c(C)c([N+](=O)[O-])c1 489743514 KJQZOMQXCBLQIL-UHFFFAOYSA-N 440.843 4.361 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2n[nH]c(-c3cc4ccccc4o3)n2)cc1SC 485107323 RDRSLWQCRBCNFX-UHFFFAOYSA-N 425.426 4.109 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)cc1[N+](=O)[O-] 481857318 JCOCCXLAJFIOJR-UHFFFAOYSA-N 442.881 4.323 5 20 IIBD C[C@@H](C(=O)OC[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)c1ccc([N+](=O)[O-])cc1F 813151940 BZARPNWRJODLIT-CHWSQXEVSA-N 446.422 4.273 5 20 IIBD Cc1c([C@H](C)NCc2cccc(OCCN(C)C3CCOCC3)c2)cccc1[N+](=O)[O-] 482257626 DNRLYZNGTKRHKB-IBGZPJMESA-N 427.545 4.244 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)OCCC[C@@H]1CCCCC1=O 813960957 UIMZQFDTYLTLIY-LBPRGKRZSA-N 445.253 4.204 5 20 IIBD COc1cc(OCC(=O)N[C@H](Cc2cccc(F)c2)c2cccc(F)c2)ccc1[N+](=O)[O-] 489956914 OVEKNZJXMHWMAW-HXUWFJFHSA-N 442.418 4.361 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(CCO)Cc1ccc(Br)s1 484790732 ULPLFKSDUICQSA-UHFFFAOYSA-N 428.308 4.062 5 20 IIBD Cc1c(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)ccn1C(C)C 815317591 LNJKHOFIRCTDOE-LBPRGKRZSA-N 427.379 4.488 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC[C@H]3C(=O)OC(C)(C)C)cc2[N+](=O)[O-])n1 489645422 XNHKGKUIZZVDDH-AWEZNQCLSA-N 449.554 4.457 5 20 IIBD Cc1ccc([C@@H](CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C(=O)O)cc1 486395253 OJPXUJOOYAAKPA-HXUWFJFHSA-N 433.464 4.114 5 20 IIBD CCn1c(SCC(=O)N[C@H](C)c2ccc(C)c(C)c2)nnc1-c1ccc([N+](=O)[O-])cc1 481368226 ZEFVBZATPIIYSI-MRXNPFEDSA-N 439.541 4.460 5 20 IIBD C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 726300155 MAQUGEDVAPNYRI-VIFPVBQESA-N 430.675 4.241 5 20 IIBD O=C(N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)c1c[nH]c2cc([N+](=O)[O-])ccc12 490603432 BXOGBPRSAOFDEC-QFIPXVFZSA-N 441.447 4.372 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)OCC(=O)N(C)Cc3ccco3)cc2[N+](=O)[O-])cc1 821047328 MTDKPGDIPGUIJI-UHFFFAOYSA-N 440.477 4.463 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1cccc(N2CCOC2=O)c1 729048124 ABAKMKYAHDQNGN-MRXNPFEDSA-N 426.473 4.233 5 20 IIBD COc1ccccc1-c1noc([C@@H](C)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 491376633 VXKMNXOJYWBEFU-CQSZACIVSA-N 437.456 4.089 5 20 IIBD Cc1c(C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 726930973 HNCPPTZIDHSHOU-UHFFFAOYSA-N 437.290 4.133 5 20 IIBD C[C@H](C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 583299773 PFGSFPLORBJRGM-SIFCLUCFSA-N 449.910 4.069 5 20 IIBD O=C(Nc1ccccc1NS(=O)(=O)c1ccccc1)c1cc2cc([N+](=O)[O-])ccc2o1 494454279 HTPAAQQIPKDYJI-UHFFFAOYSA-N 437.433 4.394 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)c1cnn(CCF)c1 498386767 KIBKEAIJJZHVRC-UHFFFAOYSA-N 436.802 4.276 5 20 IIBD COc1ccc(C[C@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])c2ccc(OC)cc2)cc1 499052734 KJXVKVRPFGEYBL-QFIPXVFZSA-N 435.480 4.124 5 20 IIBD CCc1ccc([C@H]2CCCCCN2C(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)o1 739611217 BVFJOLXSQDCXEN-DNVCBOLYSA-N 443.475 4.386 5 20 IIBD O=C(COC(=O)c1ncoc1-c1ccccc1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 732577959 NLLJEUAGNXLNRG-UHFFFAOYSA-N 435.314 4.064 5 20 IIBD COc1cc(C(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc([N+](=O)[O-])c1OC 582093893 KEMYYOWSFHBMQF-UHFFFAOYSA-N 436.346 4.069 5 20 IIBD O=Cc1ccc(OCC(=O)Nc2nc(-c3ccccc3OC(F)F)cs2)c([N+](=O)[O-])c1 731629615 AWAFWIAQUADZPT-UHFFFAOYSA-N 449.391 4.150 5 20 IIBD Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)OCc3ccc(Cl)cc3[N+](=O)[O-])C2)c1 734891242 SAFUWAVPMCWXJX-INIZCTEOSA-N 430.888 4.461 5 20 IIBD CC(C)(c1nc([C@H]2CN(Cc3ccccc3)CCO2)no1)c1ccc([N+](=O)[O-])cc1F 580481657 IMCMJNHJVOSSDL-LJQANCHMSA-N 426.448 4.016 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1Oc1ccc(Br)c(F)c1 732805695 XNJCKQXFEFWNGL-UHFFFAOYSA-N 426.166 4.285 5 20 IIBD Cc1ncc(/C=C\C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)s1 732756590 CFOXMAUHPFBYCT-XZVRFQMRSA-N 429.498 4.001 5 20 IIBD O=C(NCCc1cccc2ccccc12)c1cc([N+](=O)[O-])ccc1I 915294183 ZOIASHAAJSLULD-UHFFFAOYSA-N 446.244 4.325 5 20 IIBD COc1cc(CN[C@H]2CCCc3nc(C)ncc32)ccc1OCc1ccc([N+](=O)[O-])cc1 734852292 SIMYKUTYLLHVDR-NRFANRHFSA-N 434.496 4.448 5 20 IIBD COc1cc(C(=O)OCc2ccn(C)c(=O)c2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 918951603 CFXIEYMIHHOMHC-UHFFFAOYSA-N 444.827 4.105 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)cc1[N+](=O)[O-] 732540523 FSSWUGXNRNHCDE-NSHDSACASA-N 434.905 4.244 5 20 IIBD CC(C)[C@H](OC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)C(=O)N1CCCc2ccccc21 735354674 XLGRUZHZXHZTLY-QFIPXVFZSA-N 449.463 4.009 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)C2(NC(=O)OC(C)(C)C)CCCCC2)cccc1[N+](=O)[O-] 744889168 HRFAMHGZHNUPLD-OAHLLOKOSA-N 449.504 4.001 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)Nc1cccc(Cl)c1 740409598 GAUFILUPGYNHIZ-SECBINFHSA-N 427.638 4.195 5 20 IIBD CCc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(C)cc2Br)cc1[N+](=O)[O-] 747010352 HRSVRINPHORFOO-GFCCVEGCSA-N 435.274 4.412 5 20 IIBD Cc1ccccc1-c1noc([C@@H](C)OC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)n1 746069882 KKPREOSGBOEIQB-CQSZACIVSA-N 433.424 4.272 5 20 IIBD COc1ccc(N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1NC(=O)OC(C)(C)C 915224310 NKFQMXPAUQLMKU-CYBMUJFWSA-N 430.461 4.390 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 742499300 YKLNEHSWZQJFQX-GOSISDBHSA-N 447.532 4.002 5 20 IIBD O=[N+]([O-])c1ccc2c(cnn2CN(C[C@@H]2CCN(Cc3ccccc3)C2)CC(F)(F)F)c1 743406529 HXSAKLQTJNVIDH-GOSISDBHSA-N 447.461 4.288 5 20 IIBD CC(C)n1cc(Br)cc1C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 745460489 QNBXQAALTLEVHO-UHFFFAOYSA-N 444.669 4.189 5 20 IIBD O=C(Oc1ccc(Cc2ccccc2)cc1[N+](=O)[O-])C1CCN(C(=O)c2cccnc2)CC1 749068609 UOQCAMKXDJPAGJ-UHFFFAOYSA-N 445.475 4.038 5 20 IIBD NC(=O)c1ccc(SCC(=O)OCC2CCC(c3ccccc3)CC2)c([N+](=O)[O-])c1 744278602 GYGWTCHGIBOZSG-UHFFFAOYSA-N 428.510 4.303 5 20 IIBD O=C(COc1cccc(NC(=O)c2ccco2)c1)OCc1ccc(Cl)c([N+](=O)[O-])c1 741441190 VOJYLRCMLMMGIH-UHFFFAOYSA-N 430.800 4.216 5 20 IIBD CC(C)(C)OC(=O)N1CCc2c(NC(=O)NCCc3ccccc3[N+](=O)[O-])cccc21 753898631 OXFAZLLLJWMCHM-UHFFFAOYSA-N 426.473 4.257 5 20 IIBD CCOC(=O)Cn1ccc2cc(NC(=O)c3cccc([N+](=O)[O-])c3Br)ccc21 758173543 UVFRAIAJJNUUPP-UHFFFAOYSA-N 446.257 4.127 5 20 IIBD O=C(NCCNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc(F)cc1 920182433 PXRKMRPOBRMQHV-UHFFFAOYSA-N 427.407 4.185 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCC1(c2cccc(F)c2F)CCCC1 755482015 SVXZMCQVKVJKLF-UHFFFAOYSA-N 433.411 4.342 5 20 IIBD CC[C@@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H](c1ccc(C)cc1)n1cncn1 756721189 OHLMZAONHHPOHT-WOJBJXKFSA-N 442.907 4.016 5 20 IIBD CCOC(=O)N(C)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1 755225063 ZJKZWEZSHSBVBD-UHFFFAOYSA-N 436.262 4.131 5 20 IIBD O=C(NCC[C@H](O)c1ccc(Cl)c(Cl)c1)c1cc([N+](=O)[O-])ccc1OC(F)F 760709632 ZZEORFFCCIZNIK-AWEZNQCLSA-N 435.210 4.357 5 20 IIBD O=C(NCCSCc1ccnc(Cl)c1)c1cccc([N+](=O)[O-])c1Br 760873379 NOQGINBNKXCEJP-UHFFFAOYSA-N 430.711 4.069 5 20 IIBD Cc1cc(Cc2noc([C@@H]3CC34CCN(C(=O)OC(C)(C)C)CC4)n2)ccc1[N+](=O)[O-] 762300963 WUVLMGDMMGSLIS-INIZCTEOSA-N 428.489 4.382 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCc1nc(-c2cc(F)c(F)c(F)c2)no1 765530597 YMGCNFQFBSBPAQ-LBPRGKRZSA-N 435.358 4.374 5 20 IIBD COc1ccc(NC(=O)N2CCC(O)(c3ccccc3C(F)(F)F)CC2)cc1[N+](=O)[O-] 765341812 HIXNRGAKAAHFPU-UHFFFAOYSA-N 439.390 4.138 5 20 IIBD C[C@@H](C(=O)NCc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2)c1cccc([N+](=O)[O-])c1 762316286 KNTXGLYMXMLKLA-OAHLLOKOSA-N 425.485 4.265 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 769785665 AIYIIGWSULYBLL-UHFFFAOYSA-N 432.571 4.370 5 20 IIBD Cc1ccc([C@@](O)(Cc2noc(-c3ccc(NC4CC4)c([N+](=O)[O-])c3)n2)C(F)(F)F)o1 763299093 FHEJDYOLEWRGDV-SFHVURJKSA-N 438.362 4.113 5 20 IIBD COc1cc(CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)c([N+](=O)[O-])cc1F 766038396 YQVISESRQUJPLK-UHFFFAOYSA-N 444.275 4.314 5 20 IIBD CC1CCN(c2ccc(NC(=O)CCc3nc(Cc4ccccc4[N+](=O)[O-])no3)cc2)CC1 761345689 WPPHZXZFESHFCS-UHFFFAOYSA-N 449.511 4.376 5 20 IIBD Cc1cc(C)n2nc(SCc3ccccc3C(=O)OCc3ccc([N+](=O)[O-])cc3)nc2n1 768429593 CPBMZARUEFSCOM-UHFFFAOYSA-N 449.492 4.299 5 20 IIBD C[C@@H](CO)n1c(C(F)(F)F)nc2cc(NCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc21 864040522 UKYKKYCZPDDRGC-JTQLQIEISA-N 439.350 4.037 5 20 IIBD CCS[C@H](C)c1noc(CN(C)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])n1 765624338 RDVUEKRJWKPPQW-MRVPVSSYSA-N 435.384 4.355 5 20 IIBD Cc1c(C(=O)COC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cnn1-c1ccccc1 1117126887 WNBPUIPJTWQOIY-UHFFFAOYSA-N 448.460 4.252 5 20 IIBD C[C@@H](Oc1cccc(Br)c1)c1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)o1 1118067023 ZVXYECFUGZKVAI-SECBINFHSA-N 435.190 4.456 5 20 IIBD CC(C)[C@H](NC(=O)COC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccccc1 773606946 YFQHIVFEXUDGAO-HNNXBMFYSA-N 441.303 4.089 5 20 IIBD Cc1c(C(=O)Nc2cccc(CCN3CCC(C)CC3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 770263264 DBVPVBCWHRYSPV-UHFFFAOYSA-N 426.473 4.338 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])O[C@@H]([C@@H]1CCOC1)C(F)(F)F 778033493 YVCBIXZIIJXRJO-OQPBUACISA-N 433.326 4.216 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCc1nc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)no1 770874418 HWKRKBIKBYNANK-UHFFFAOYSA-N 436.384 4.093 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)O[C@@H]([C@@H]3CCOC3)C(F)(F)F)cc2[N+](=O)[O-])C1 778030364 GMABKMSEPTVZBS-OSDKZWGASA-N 430.423 4.201 5 20 IIBD O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 777978121 TUNFONHXNJXKHN-UHFFFAOYSA-N 428.273 4.394 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCC1(c2cccc(C(F)(F)F)c2)CC1 781629299 UZNXGUMXRRJAKE-UHFFFAOYSA-N 437.374 4.302 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])c(F)c1)c1nc(Br)ccc1Br 784927715 UWSYQOAOJWGUHH-UHFFFAOYSA-N 434.015 4.011 5 20 IIBD Cc1oc(-c2ccccc2)nc1CC(=O)O[C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 787027044 SEEGLVIFVWQXRI-SFHVURJKSA-N 439.443 4.452 5 20 IIBD Cc1ccnc(-n2c(SCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc3ccccc3c2=O)c1 789846601 NZPDUDGBCHRPRW-UHFFFAOYSA-N 449.448 4.198 5 20 IIBD O=C(OCc1noc(-c2ccc(F)cc2F)n1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 781173326 IKXLIHMNXFCRRW-UHFFFAOYSA-N 444.375 4.404 5 20 IIBD O=C(CCN1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1)Nc1cc([N+](=O)[O-])ccc1F 782507596 IWWOVQLBMIAAIV-DEOSSOPVSA-N 440.519 4.051 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NCc1ccnc(Oc2ccccc2F)c1 785332296 RBOVFMYLQNXCNH-UHFFFAOYSA-N 437.836 4.053 5 20 IIBD C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] 782848421 BFBQIWOGOYMDNO-UHFFFAOYSA-N 429.432 4.239 5 20 IIBD Cc1cc(F)cc(C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)c1[N+](=O)[O-] 789718226 ZZMMYNGMYXKIAF-OAHLLOKOSA-N 440.258 4.275 5 20 IIBD CC(C)(C)c1ccc(S(=O)(=O)NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)s1 781522160 MLBFMTDWGOVLFE-UHFFFAOYSA-N 440.546 4.159 5 20 IIBD Cc1c(C(=O)Nc2nnc(-c3cc4ccccc4o3)s2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 787472085 KTXXAJHJKXNWQF-UHFFFAOYSA-N 425.382 4.328 5 20 IIBD COc1ccccc1-n1ncc(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1C 798793432 QAUQPHDNRZKITG-AWEZNQCLSA-N 449.423 4.066 5 20 IIBD COc1ccc(C(C)(C)C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cc1 791246107 SHQZQQISQSCVDQ-UHFFFAOYSA-N 433.302 4.228 5 20 IIBD Cc1ccc(C)n1C1CCN(C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])CC1 795864883 VTWMPETXPPKUOM-UHFFFAOYSA-N 449.349 4.076 5 20 IIBD O=C(NS(=O)(=O)CCCC(F)(F)F)c1ccccc1Sc1ccccc1[N+](=O)[O-] 799620570 GESGOSBCOWNJHD-UHFFFAOYSA-N 448.444 4.148 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)cc1[N+](=O)[O-] 792981658 BWPNECZNFKLHSN-OAQYLSRUSA-N 439.512 4.115 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccccc2SC[C@H](O)c2ccccc2)c1 799528185 UPHUKROAJCUOHY-IBGZPJMESA-N 430.507 4.221 5 20 IIBD COc1ccc(-c2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)ccc2OC)cc1 1318513072 BVRSUQJZNJZVEH-UHFFFAOYSA-N 428.466 4.388 5 20 IIBD Cc1ccc(C)c(OC2CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3N)CC2)c1 1321293261 DXYVNRNFOMVTPY-UHFFFAOYSA-N 448.317 4.240 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(F)c(NC(=O)OC(C)(C)C)c2)cc1[N+](=O)[O-] 1321744458 RPAIMTNMSDRWEP-UHFFFAOYSA-N 425.438 4.190 5 20 IIBD O=C(NCC1CCN(Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1)C(F)(F)F 1326995645 DSHLUISHXRKAII-UHFFFAOYSA-N 445.825 4.399 5 20 IIBD C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1N)c1ccc(-c2ccncc2)cc1 1344707240 PLZCVKDUJSICRH-LBPRGKRZSA-N 441.285 4.493 5 20 IIBD O=C(/C=C/C1CC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 1801206201 VAYSWOSZRMRQDU-KFSMGIKGSA-N 425.510 4.028 5 20 IIBD Cc1cc(Cl)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C3)c1 1803640017 FWSLSPCMDPRQNR-BJWYYQGGSA-N 445.878 4.261 5 20 IIBD CC(C)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2cc([N+](=O)[O-])ccc2F)n[nH]1 1815645275 KBLVBZGDCZSYSI-IBGZPJMESA-N 445.495 4.128 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)[nH]n1)C1=CCCC1 1816697871 NHNVCMYRVVUGEJ-FQEVSTJZSA-N 437.500 4.053 5 20 IIBD CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 1814844702 MCWRMZVKEBZESY-INIZCTEOSA-N 447.923 4.252 5 20 IIBD CC[C@H](C)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)[nH]n1 1815038568 ACMRCWHPYCKFFF-NMIVOGFZSA-N 429.477 4.053 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])[nH]n1)c1ccccc1 1820407295 NKKBTLHOCSQYBK-ARKBFRDHSA-N 445.479 4.337 5 20 IIBD CC[C@@H](C(=O)N1CCCC12CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])C2)c1ccccc1 1842621461 ZTEVDAUCZIAXHH-QZMUEMGWSA-N 433.508 4.005 5 20 IIBD Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CSc2ccccc2[N+](=O)[O-])C3)s1 1794981555 SWNIIEWASJXHPT-MUJYYYPQSA-N 445.566 4.009 5 20 IIBD CC(C)c1ccc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 14826964 CCDKHRGTEBNDOG-UHFFFAOYSA-N 431.495 4.260 5 20 IIBD COc1ccc(CNC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc1 15013913 RYXHQRVJASMLNU-UHFFFAOYSA-N 436.489 4.486 5 20 IIBD COC(=O)c1cc(Oc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])cc(C(=O)OC)c1 15163188 XQFLRJQSUKMFPL-UHFFFAOYSA-N 435.388 4.191 5 20 IIBD COC(=O)C1=C(C)N(CCc2cccs2)C(=O)N[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 16064212 NULFPNJEFNANGV-QGZVFWFLSA-N 435.889 4.066 5 20 IIBD COc1cc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc(OC)c1OC 16643206 UDSVMSWIOFDKBU-UHFFFAOYSA-N 429.473 4.109 5 20 IIBD CC(=O)N(c1nc(COC(=O)c2cc([N+](=O)[O-])ccc2N)cs1)c1ccc(C)cc1C 16814353 HAHABIWDXQIAJI-UHFFFAOYSA-N 440.481 4.292 5 20 IIBD C[C@@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccc(OC(F)(F)F)cc1 20820667 UIIWLBJARZTTHS-SECBINFHSA-N 432.738 4.331 5 20 IIBD CCCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1cccc(C)c1 21114220 AHCKJYZPQYZWNU-UHFFFAOYSA-N 441.513 4.311 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])cc1OC 21844850 GJCWXOSOLUMVQM-VIFPVBQESA-N 443.239 4.103 5 20 IIBD Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 25733404 DPPRKJWANCPLML-GASCZTMLSA-N 445.541 4.041 5 20 IIBD COc1ccccc1CN(Cc1cccs1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C 27950235 FSJIHHBGMYETGK-UHFFFAOYSA-N 432.523 4.364 5 20 IIBD Cc1nc(-c2ccc(CCNC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)cc2)cs1 64761536 BWLAZCTWBMANOG-UHFFFAOYSA-N 447.520 4.400 5 20 IIBD COc1cc(OC)cc([C@H](Nc2ccc(Br)cc2[N+](=O)[O-])c2nccn2C)c1 105363691 GAHCFQQWFXOUKY-SFHVURJKSA-N 447.289 4.310 5 20 IIBD O=C(NC1(c2ccc(F)cc2)CCC1)c1cc([N+](=O)[O-])ccc1I 109085342 DQCNHQIOJYOZEC-UHFFFAOYSA-N 440.212 4.148 5 20 IIBD O=C(Nc1cc(Br)c[nH]c1=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 109088728 YUZHNNATSRPDGS-UHFFFAOYSA-N 429.230 4.042 5 20 IIBD CN(C)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2 207146667 FKBBIYUXRKDBJF-LGMDPLHJSA-N 445.475 4.265 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(CNCc3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)C[C@@H](C)O1 237765010 PLPHBZOLJUPZAD-HDICACEKSA-N 449.507 4.394 5 20 IIBD O=[N+]([O-])c1cc(F)c(NCc2ccc(Br)cc2N2CCOCC2)c(F)c1 301777426 HYOLWZKBGXVLLJ-UHFFFAOYSA-N 428.233 4.084 5 20 IIBD CCOc1cc(C(=O)N(C)CCc2ccc(Br)cc2)c([N+](=O)[O-])cc1OC 303265432 DUXOBQROZSTMKQ-UHFFFAOYSA-N 437.290 4.079 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)c1ccccc1[N+](=O)[O-] 303677406 JDKRCSVJLBBQIK-DAYGRLMNSA-N 432.423 4.176 5 20 IIBD Cc1ccc(-c2ccnn2C)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 410195672 ZVWDFGFMOMTIEC-UHFFFAOYSA-N 429.274 4.247 5 20 IIBD CCCN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ccccc1 429818538 HUUHBEWKFTYSQO-CYBMUJFWSA-N 434.290 4.237 5 20 IIBD Cc1c(NC(=O)N2CCC[C@@]2(CO)Cc2ccccc2)cc(Br)cc1[N+](=O)[O-] 435322639 FNISFOPYWQGKGJ-FQEVSTJZSA-N 448.317 4.267 5 20 IIBD CC(=O)Nc1cccc([C@@H](C)NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1 435922975 MMSYTBISBVCYQG-GFCCVEGCSA-N 435.430 4.409 5 20 IIBD O=C(Nc1nc2cc(Br)ccc2n1Cc1ccccc1)c1cc([N+](=O)[O-])c[nH]1 437008697 UXIXNSKDJRVFPY-UHFFFAOYSA-N 440.257 4.336 5 20 IIBD CCNc1ccc(C(=O)N[C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] 437342442 DXYQDPPJRUGQET-AOMKIAJQSA-N 427.501 4.082 5 20 IIBD O=C(Cc1noc(CCCNc2ccc([N+](=O)[O-])cc2)n1)Nc1cccc2ccccc12 445354737 UHJSXJPFYBCMCE-UHFFFAOYSA-N 431.452 4.357 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(c2ncc3n2CCCC3)CC1 447670183 INIGHJTWWHQWNR-UHFFFAOYSA-N 434.949 4.279 5 20 IIBD O=[N+]([O-])c1ccc(CN(c2nnc([C@H]3CCOC3)n2CCc2ccccc2)C2CC2)cc1 460440257 XMXWUVUWLZUSKW-FQEVSTJZSA-N 433.512 4.102 5 20 IIBD Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 461413649 OKDDGCCMUHILIF-UHFFFAOYSA-N 440.887 4.145 5 20 IIBD Cc1cccc(C2=CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3C[C@@H]3CCOC3)CC2)c1 461531855 ILFSUTGTQBMRGG-IBGZPJMESA-N 445.523 4.492 5 20 IIBD O=[N+]([O-])c1c(Nc2ccc(CCn3cc(Br)cn3)cc2)nc2sccn12 462873568 HSTSAHQRVXEFQP-UHFFFAOYSA-N 433.291 4.249 5 20 IIBD C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 463131295 YJGMEOXYOOJFMA-JTQLQIEISA-N 434.221 4.451 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)c2ncccc12 464416364 HXVODGLLFBOEBS-UHFFFAOYSA-N 449.492 4.144 5 20 IIBD COc1ccc([C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)c2ccccc2Cl)c(C)c1 464634771 STNRUSQCOQYOBJ-NRFANRHFSA-N 428.876 4.058 5 20 IIBD O=C(NC1CCN(C2CCCCC2)CC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 473543488 SGCAOXLRTIATOF-UHFFFAOYSA-N 429.439 4.063 5 20 IIBD COC(=O)c1nc([C@@H]2CCCN2C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)sc1C 473549201 JTCFFXUMZRBIDD-IBGZPJMESA-N 447.516 4.210 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)N2CCCCC2)CC1 479013659 PSWYWAIAVSFNKK-UHFFFAOYSA-N 433.574 4.208 5 20 IIBD O=[N+]([O-])c1cccc(OC[C@H](O)Cn2c(CCOc3ccccc3)nc3ccccc32)c1 480308692 SVSUTMZBLBUPSW-LJQANCHMSA-N 433.464 4.006 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc(Cl)c1F 481630450 WOTFBXYCXYHZGM-UHFFFAOYSA-N 448.737 4.036 5 20 IIBD CCS[C@@H](C)c1noc(CN(C)C(=O)Cn2c3ccccc3c(=O)c3ccccc32)n1 484910857 PQGKQZORHLZZSF-HNNXBMFYSA-N 436.537 4.010 5 20 IIBD O=C(CN1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl 485348898 IFRHFERHZWRQBU-AVRDEDQJSA-N 442.947 4.173 5 20 IIBD COCCOc1ccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc1 485507548 TWRPVQHGSVEGEC-IRXDYDNUSA-N 427.501 4.355 5 20 IIBD CNC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)nc1 485825863 VRNSCAMLPDKRGI-UHFFFAOYSA-N 442.884 4.406 5 20 IIBD CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1sc(Br)cc1[N+](=O)[O-] 485916460 RYZJBWRHHPNZDD-AWEZNQCLSA-N 438.347 4.013 5 20 IIBD O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCCN2C2CC2)C1 486087405 JXVAXUIKGLTLPZ-XXBNENTESA-N 435.524 4.263 5 20 IIBD COc1ccc(Br)c(CC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 486696274 CEVQWRLHCOHCHJ-UHFFFAOYSA-N 447.207 4.244 5 20 IIBD COC(=O)c1cc(NC(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)c(C)c([N+](=O)[O-])c1 486873542 SYZCBCSUTMBYPH-CQSZACIVSA-N 433.848 4.028 5 20 IIBD O=C(Nc1nnc(/C=C/c2ccco2)s1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 486873594 ZOBXBPMINHRYTI-BQYQJAHWSA-N 441.469 4.285 5 20 IIBD CC(C)(C)Oc1cc(N2CCCN(C(=O)Cc3cccc(F)c3)CC2)ccc1[N+](=O)[O-] 487075625 PHEOOSUHVNWCEZ-UHFFFAOYSA-N 429.492 4.193 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCc1cccc(COCC(F)(F)F)c1 487851299 CGBSSUOZVWGGGH-UHFFFAOYSA-N 445.825 4.369 5 20 IIBD Cc1ccc([C@H](C)NC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)cc1[N+](=O)[O-] 488079031 JZCYAUAXRGVBQK-WFASDCNBSA-N 436.295 4.440 5 20 IIBD O=C(NCC1(N2CCCC2)CCOCC1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 488966930 HDVULOJCJROFSY-UHFFFAOYSA-N 441.553 4.121 5 20 IIBD COC(=O)c1cc(NC(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)c(C)c([N+](=O)[O-])c1 489740911 GDKXMEVPOKFRGZ-UHFFFAOYSA-N 434.452 4.070 5 20 IIBD CCc1cccc2c(C3CCN(C(=O)c4ccc(-n5cncn5)c([N+](=O)[O-])c4)CC3)c[nH]c12 490817209 GMGRGEQNJWZMLL-UHFFFAOYSA-N 444.495 4.239 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(Br)c(F)c2)cc1SC 494860332 VXZDDVQVUVUFFW-UHFFFAOYSA-N 443.294 4.499 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCN(c2ccc3ccccc3n2)CC1 497572348 ZDPAETGYIAYCIY-UHFFFAOYSA-N 445.504 4.229 5 20 IIBD COc1cc(CCNC(=O)N[C@H]2CC=C(c3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1OC 498137130 ORFPFIPNKLEXGU-IBGZPJMESA-N 443.475 4.229 5 20 IIBD CCOC(=O)c1sc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(C(=O)OC(C)(C)C)c1C 498529457 ZFXDFXLHIYKEES-UHFFFAOYSA-N 448.497 4.278 5 20 IIBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1csc(-c2ccc(F)c(F)c2)n1 502546235 LSYSUMCHTNJFEU-UHFFFAOYSA-N 433.392 4.410 5 20 IIBD O=C(Nc1nnc(-c2ccccn2)s1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 502859062 GTHHISRKIATKHV-UHFFFAOYSA-N 432.465 4.373 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)CCCc1ccccc1 509269082 IQYLNCSFDGEFFM-UHFFFAOYSA-N 438.265 4.213 5 20 IIBD Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 510012753 ZUOUUICQVRSFSM-UHFFFAOYSA-N 434.290 4.365 5 20 IIBD COc1ccc(NC(=O)CN[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)c([N+](=O)[O-])c1 510469007 BRIZAFMVLZTVAB-INIZCTEOSA-N 449.332 4.037 5 20 IIBD CC(=O)Nc1nnc(Sc2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])s1 511427163 SJUJUQUCUHQIBQ-UHFFFAOYSA-N 429.483 4.117 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 512961105 PMWMJRYGUQITDP-UHFFFAOYSA-N 432.889 4.091 5 20 IIBD O=C(Nc1cc(Br)cnc1OCC(F)(F)F)c1ccc([N+](=O)[O-])s1 513379772 XOMXEJLAIOOKQO-UHFFFAOYSA-N 426.170 4.007 5 20 IIBD Cc1ccc(CNC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c(O[C@@H](C)CC(C)C)c1 513768579 YSFSWHMHIDMFHS-INIZCTEOSA-N 448.541 4.050 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(NC(=O)Nc3cccc(C)c3)c2)c1 518651671 VCFXPFNZIIOIPO-UHFFFAOYSA-N 434.452 4.486 5 20 IIBD COc1cc(CCNC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2Cl)c([N+](=O)[O-])cc1OC 520335495 ZIADQEWUTVHRST-KBPBESRZSA-N 439.295 4.381 5 20 IIBD Cc1ccccc1CN1CCC(NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 521382815 DBXWBVZOWNRAGQ-UHFFFAOYSA-N 434.443 4.291 5 20 IIBD O=C(NCc1nc(-c2cccc(Cl)c2)no1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 522433019 JLYCBXHVGFXOEG-UHFFFAOYSA-N 439.762 4.221 5 20 IIBD CC(C)[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1cccc(C(F)(F)F)c1 523267092 GOYYABRZAXWYMU-QGZVFWFLSA-N 444.431 4.144 5 20 IIBD COc1ccc(NC(=O)NCc2ccccc2[N+](=O)[O-])cc1NC(=O)C1CCCCC1 523914745 ZVGCQGWZTDNHSD-UHFFFAOYSA-N 426.473 4.444 5 20 IIBD COC[C@H]1CCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)C1 525329022 VHWPHVQZSOLOOO-LIRRHRJNSA-N 448.317 4.005 5 20 IIBD COc1cc(C(=O)Nc2ccc(OCc3cn4ccccc4n3)cc2)cc([N+](=O)[O-])c1OC 525563285 HSSMSHFGFGXHKG-UHFFFAOYSA-N 448.435 4.091 5 20 IIBD COc1cc(CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C2CC2)ccc1O 534928675 QVKMYAKVQJOPCV-UHFFFAOYSA-N 425.466 4.237 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CNc3ccn(-c4ncccc4C(F)(F)F)n3)co2)cc1 535506037 ARFLQTNYEYGNGX-UHFFFAOYSA-N 430.346 4.461 5 20 IIBD O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CCC[C@H]1Cc1ccccc1 536554986 CZSGUVKQZFPBFR-INIZCTEOSA-N 436.249 4.047 5 20 IIBD Cc1cccc(C2=CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)c1 538880525 JKJVWTUSKLBDAA-HSZRJFAPSA-N 433.508 4.132 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(SC)c1C 540474745 BDBQYVFHAWSXLC-KRWDZBQOSA-N 433.555 4.115 5 20 IIBD Cc1cc(C)c2c(c1)c(C)cc1nnc(SC[C@@H](O)COc3ccccc3[N+](=O)[O-])n12 542189141 GFWVAYOYZXUJQZ-INIZCTEOSA-N 438.509 4.248 5 20 IIBD C[C@@H](c1ccccc1C(F)(F)F)[C@@H](C)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 542561015 PZDWLCAIIIZCJT-VXGBXAGGSA-N 439.390 4.063 5 20 IIBD Cc1ccc(-c2cc(-c3nc(Cc4ccc([N+](=O)[O-])cn4)no3)c3c(C)noc3n2)cc1 545071613 VWTGSMBIGOFNDZ-UHFFFAOYSA-N 428.408 4.451 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(-c2nc(-c3cccc(OCC(F)F)n3)no2)c1 545844227 GHVQSFUEAXHWDD-UHFFFAOYSA-N 427.161 4.113 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(CS(=O)(=O)c3ccc(Cl)cc3)no2)cc(C(F)(F)F)c1 546247398 NNNKDVXVNZBSFE-UHFFFAOYSA-N 447.778 4.291 5 20 IIBD CC(C)(C(=O)Nc1cccc(C[S@](=O)C2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1F 547271720 WGPQQMBIYLXDFT-HKBQPEDESA-N 448.516 4.078 5 20 IIBD C[C@H](NC1(Cc2cccc(F)c2)CCOCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 549885093 ZHIJIQMJRVMQEB-HNNXBMFYSA-N 426.448 4.226 5 20 IIBD Cc1ccccc1[C@H](C(C)C)N(C)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 551495516 MEVOJLDNWUAAHF-SFHVURJKSA-N 448.317 4.460 5 20 IIBD CC(=O)CCc1ccc(OC[C@@H](O)COc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1 555545711 JBSJAOOVZDAGOB-OAHLLOKOSA-N 428.268 4.242 5 20 IIBD CC(=O)N1C[C@H]2[C@@H](NC(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])CCC[C@H]2C1 558319461 KLLUBYXPAHIAGA-UHOSZYNNSA-N 439.537 4.123 5 20 IIBD CC(C)(C(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1)c1ccccc1[N+](=O)[O-] 559395791 COCQWMANRGBQJQ-UHFFFAOYSA-N 438.528 4.326 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@@H](C)Cc1ccccc1C(F)(F)F 561479934 HYYSLLGPLOWQDW-ZDUSSCGKSA-N 425.407 4.395 5 20 IIBD CC[C@H](CN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)OC 562231175 JYTJYZSITXKBDW-QAPCUYQASA-N 436.306 4.052 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2nnc(Cc3ccc4ccccc4c3)o2)c1[N+](=O)[O-] 562487052 UIKLZPXXFHKDDH-UHFFFAOYSA-N 438.465 4.139 5 20 IIBD CC1CCN(c2ccc(C(=O)NC[C@]3(C)OCCc4sccc43)cc2[N+](=O)[O-])CC1 565512070 DHPDMJGQYRJTBT-QFIPXVFZSA-N 429.542 4.111 5 20 IIBD COc1ccc(C(=O)COc2ccc([N+](=O)[O-])cc2Cc2ccccc2)c2c1C(=O)CO2 570204808 ZIQZFYUNDQNNKD-UHFFFAOYSA-N 433.416 4.031 5 20 IIBD C[C@@H]1CC(CCNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C[C@@H](C)O1 572138036 CCBNQRJZBSEYKA-BRWVUGGUSA-N 426.517 4.486 5 20 IIBD O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 572330242 GYAGLEWXFOFLDZ-INIZCTEOSA-N 430.766 4.361 5 20 IIBD CCC1(c2nc(CCNc3ccccc3[N+](=O)[O-])no2)CCN(C(=O)c2ccccc2)CC1 580016533 OYYARYWKOZHBLD-UHFFFAOYSA-N 449.511 4.216 5 20 IIBD Cc1c(CNCc2cc(I)cc([N+](=O)[O-])c2)n(C)c2ccccc12 583469833 GNIZHYWNFZRAAL-UHFFFAOYSA-N 435.265 4.289 5 20 IIBD COc1ccc(CNC(=O)NCc2ccc(CN3C[C@@H](C)C[C@H](C)C3)cc2)cc1[N+](=O)[O-] 604078751 FRVKWORLIPVJKC-ROUUACIJSA-N 440.544 4.081 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)NCc1cccc(Cn2cnc3ccccc32)c1 608790236 CUKCDHRAWJUHHM-UHFFFAOYSA-N 429.480 4.035 5 20 IIBD Cc1ccc(NC(=O)c2cccc(Oc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])c2)cc1 608974310 QPWWXRHFUHKVMM-UHFFFAOYSA-N 426.450 4.351 5 20 IIBD O=C(Nc1ccc(Cn2cnc3ccccc32)cc1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609548850 CCHMPKVQGOYIOT-UHFFFAOYSA-N 439.431 4.499 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CC[C@@H](Cc2ccc(F)cc2)C1 609909215 UVJKJPDAGJPCCE-AWEZNQCLSA-N 426.366 4.380 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NCCc1ccc(-c2ccccc2)cc1 610809361 HHABITWXOQDEJD-UHFFFAOYSA-N 437.883 4.004 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CCN(c2ncccc2F)CC1 611207937 DQYGJWLMQVEGDA-UHFFFAOYSA-N 430.505 4.126 5 20 IIBD O=C(NC[C@H](CO)c1ccc(Cl)cc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 673369423 HHGHVDKYDPGCCK-CYBMUJFWSA-N 442.849 4.119 5 20 IIBD Cc1csc(-c2cccc(OC(=O)c3nn(-c4ccccc4[N+](=O)[O-])c(C)cc3=O)c2)n1 726367532 HMOCGABOYXNHDP-UHFFFAOYSA-N 448.460 4.100 5 20 IIBD Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)OCc3c(F)cccc3[N+](=O)[O-])c12 728994617 QFZGQRKVHMMGAC-UHFFFAOYSA-N 447.426 4.406 5 20 IIBD Cc1cc(-c2noc(-c3cc([N+](=O)[O-])ccc3I)n2)ccc1F 731795743 DPPGTPWJOGOIPJ-UHFFFAOYSA-N 425.157 4.364 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl 733670089 UFRVXWNRAMEZGF-CYBMUJFWSA-N 428.659 4.297 5 20 IIBD COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 735992108 SCPUOLMGRJJVDG-KRWDZBQOSA-N 435.864 4.461 5 20 IIBD Cc1c(C(=O)Nc2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 736171788 UWQAVPURSUINKS-RBUKOAKNSA-N 429.429 4.054 5 20 IIBD C[C@H](NC(=O)COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccc(Br)cc1 736874989 ILOYWCZOWMTTRZ-JTQLQIEISA-N 441.665 4.045 5 20 IIBD COc1ccccc1-c1ccc([C@H](C)NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])cc1 741726633 CDWPJBQAKZKKFR-INIZCTEOSA-N 434.448 4.339 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)c1 743334812 GXFRTOVNJWZCDM-INIZCTEOSA-N 436.308 4.102 5 20 IIBD CSc1ccc(C(=O)N(c2cccc(O)c2)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 744196546 DGUIBAJALKFFBJ-UHFFFAOYSA-N 444.490 4.058 5 20 IIBD CCOc1cc(N2CCC(OC(=O)COc3ccc(C)cc3C)CC2)ccc1[N+](=O)[O-] 744204036 NOFNRJTVMYEJCT-UHFFFAOYSA-N 428.485 4.201 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C(=O)Nc1cc(Cl)ccc1F 744562706 QPKIHGCCYSTGQC-GFCCVEGCSA-N 435.839 4.172 5 20 IIBD O=C(COC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)Nc1cc([N+](=O)[O-])ccc1F 745346761 LFAGJPMBSIRYMP-ZIAGYGMSSA-N 427.215 4.326 5 20 IIBD Cc1cc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])n(-c2ccc(C(F)(F)F)cn2)n1 749966312 ORIMHIWYYYJFJP-UHFFFAOYSA-N 425.754 4.408 5 20 IIBD CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COC(=O)c1cccc(Cl)c1[N+](=O)[O-] 750532878 ILMHEAPPKQAIFL-UHFFFAOYSA-N 431.659 4.370 5 20 IIBD O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1nccnc1-c1nc2ccccc2s1 751641263 KWZRJLQNNFHYLX-UHFFFAOYSA-N 433.405 4.160 5 20 IIBD Cc1cc(F)cc(C(=O)OCC(=O)N[C@@H](c2ccccc2)c2cccs2)c1[N+](=O)[O-] 752557913 QYJMYFRKFXVBRQ-IBGZPJMESA-N 428.441 4.166 5 20 IIBD Cc1ccccc1[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)[C@@H](C)CO1 755013207 IKCKDASCDVOQQP-YVEFUNNKSA-N 437.265 4.407 5 20 IIBD COc1cc(NC(=O)C(C)(C)C)c(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc1OC 756991731 UNOALWWGEUWOFT-UHFFFAOYSA-N 449.891 4.180 5 20 IIBD Cc1cc(F)cc(C(=O)Nc2cc(F)c(I)c(F)c2)c1[N+](=O)[O-] 758466088 KZENZIZECNCJPY-UHFFFAOYSA-N 436.127 4.177 5 20 IIBD CCOC(=O)c1ccnc(N2CCC[C@@H]2c2c(C)nn(CC(C)C)c2Cl)c1[N+](=O)[O-] 759714947 RPYFWKWMCSCVLC-OAHLLOKOSA-N 435.912 4.322 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(Br)s1 761299093 FRLKTVUNRWVUFE-UHFFFAOYSA-N 433.667 4.176 5 20 IIBD O=C(Nc1ccccc1C(=O)NCC1(CCO)CCCC1)c1ccc([N+](=O)[O-])cc1Cl 762766664 DVJHKNWAJVNILU-UHFFFAOYSA-N 445.903 4.173 5 20 IIBD O=Cc1ccc(OCC(=O)Nc2cccc(CC[C@@H](O)c3ccccc3)c2)c([N+](=O)[O-])c1 763004023 VRJQNSSWFAKVQP-JOCHJYFZSA-N 434.448 4.091 5 20 IIBD C[C@@H](C(=O)OCc1nc(-c2cccc(Br)c2)no1)c1cccc([N+](=O)[O-])c1 763405894 MZTRXNODDQHWFO-LLVKDONJSA-N 432.230 4.254 5 20 IIBD COc1ccc2cc(CN(C)C(=O)COC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)ccc2c1 763409425 ZXICFXSBNIMTGZ-MRXNPFEDSA-N 436.464 4.062 5 20 IIBD Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)n([C@H]2CCN(Cc3ccccc3)C2)n1 764303180 TUORHCWPEXMMAU-SFHVURJKSA-N 439.903 4.452 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)OCCNC(=O)c1ccccc1C(F)(F)F 764687262 XDTMAWCPKYWSGK-UHFFFAOYSA-N 442.415 4.312 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1nnc(-c2ccccc2)s1 766736864 IMUKNMAHECHARL-UHFFFAOYSA-N 431.495 4.209 5 20 IIBD COc1ccc(CN2CCC(C3(C)OCCO3)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 769400255 NMYFUZVVIGHNQW-UHFFFAOYSA-N 442.512 4.157 5 20 IIBD CN(CCCn1ccnc1)[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 769656167 PCUCUKGPYPAUFZ-FQEVSTJZSA-N 427.892 4.147 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3c(Cl)nc4sccn34)no2)c(Br)c1 771319902 CJMFMIQQNVMRTK-UHFFFAOYSA-N 426.639 4.437 5 20 IIBD Cc1c(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 772237331 PDAFFXBDAHIHFW-SNVBAGLBSA-N 444.391 4.307 5 20 IIBD CC(=O)[C@@H]1C[C@H](CC(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1(C)C 772659511 YQVJVSUBXJWASL-BZPMIXESSA-N 444.406 4.125 5 20 IIBD Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNCc1nc2ccc([N+](=O)[O-])cc2[nH]1 775178445 KACQVDONBIQSRY-UHFFFAOYSA-N 428.855 4.107 5 20 IIBD COc1cccc(CN2CCC(NC(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)CC2)c1 775523603 LFIRQLSZMOBUBG-UHFFFAOYSA-N 443.569 4.498 5 20 IIBD C[C@H](Nc1ccc(C(=O)OC2CCC3(CC2)OCCO3)cc1[N+](=O)[O-])c1ccccn1 776559503 VLDAHPMIYOFDFB-HNNXBMFYSA-N 427.457 4.005 5 20 IIBD COc1ccccc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccccn1 782173004 ANUZODZCCRAXIS-IBGZPJMESA-N 442.269 4.280 5 20 IIBD COCC(=O)Nc1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1 782272385 PQMJZEHVVFCROR-UHFFFAOYSA-N 435.436 4.011 5 20 IIBD O=C(N[C@@H]1CC[C@H]2SCCS[C@@H]12)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 784466584 DIBVSHATEGOGBQ-RLLQIKCJSA-N 430.551 4.283 5 20 IIBD Cc1ccc(F)cc1NC(=O)[C@H](C)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 792896408 HAMOTTBDTHUMOJ-LBPRGKRZSA-N 436.281 4.190 5 20 IIBD C[C@H](N[C@H](C)c1ccc(Br)cn1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 796499767 XUWSAUYDPOWOCB-ZJUUUORDSA-N 427.686 4.084 5 20 IIBD Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CNc1cc([N+](=O)[O-])ccc1NCCO 797848503 MJSQRHOQIFERDW-UHFFFAOYSA-N 429.908 4.126 5 20 IIBD C[C@@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)c1ccc(Br)cc1 798277423 DYTRWKOCKIIECY-CYBMUJFWSA-N 447.285 4.386 5 20 IIBD Cc1nc2sccn2c1-c1noc(CN(C)c2cc(Br)ccc2[N+](=O)[O-])n1 809480448 KJDUHDPIRSABKB-UHFFFAOYSA-N 449.290 4.061 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)c3ccccc32)cc1C 809862428 YFAINJLSELSZFW-UHFFFAOYSA-N 447.513 4.162 5 20 IIBD Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 810365705 MQMFBELWXCYTJK-KGLIPLIRSA-N 446.301 4.009 5 20 IIBD CN(CCc1cccc(Br)c1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 812891608 PHUZYYRBIAWQNZ-UHFFFAOYSA-N 426.698 4.395 5 20 IIBD CCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 812983658 ZZWGXWMTHKWKCD-MRXNPFEDSA-N 425.268 4.148 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 813530976 WNNLPUOCEDHSSU-RYUDHWBXSA-N 432.304 4.467 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC(O)(c2c(F)cccc2F)CC1 816205896 QOCUWEZURNZQAM-UHFFFAOYSA-N 430.329 4.016 5 20 IIBD Cc1ccc(NC(=O)c2cncc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c2)cc1[N+](=O)[O-] 915827787 HVTJASIRTZWTRQ-UHFFFAOYSA-N 435.396 4.019 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCCCN1C(=O)OCc1ccccc1 915867866 FTDDLRJPTNELHJ-KRWDZBQOSA-N 449.410 4.326 5 20 IIBD CCN(C(=O)COC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@@H](C)c1ccc(F)cc1 918875529 OZNKYQFYSQOXQD-GJZGRUSLSA-N 434.489 4.367 5 20 IIBD C[C@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 919214518 TYPSAOGFWUMCIQ-VIFPVBQESA-N 433.760 4.087 5 20 IIBD COc1ccc(OC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1 919678888 HIGQXQALBKNQOY-ZDUSSCGKSA-N 438.396 4.299 5 20 IIBD CCCCc1nc(-c2cccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)c2)no1 920227754 GYPZOCBTVCNLFE-UHFFFAOYSA-N 426.385 4.423 5 20 IIBD Cc1cc(C(=O)OCC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)cc([N+](=O)[O-])c1 920904487 GOJOULZSILMWJT-HSZRJFAPSA-N 436.439 4.447 5 20 IIBD COc1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C)c2ccc(OC)cc2OC)cc1 1116029196 AHOHYZRPNBAKDI-HSZRJFAPSA-N 436.464 4.448 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCc1coc(-c2ccccc2)n1 1321466298 OBKSZKSZEPRVEU-UHFFFAOYSA-N 430.258 4.293 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1OC(=O)[C@]1(F)CCOC1 1323429860 ZONFZLAPLFXAAG-SFHVURJKSA-N 443.214 4.188 5 20 IIBD CC(C)(C)OC(=O)N1CCC(c2nnc(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)o2)CC1 1324205196 PBOSSBCMLJJVRZ-UHFFFAOYSA-N 443.504 4.360 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)C2)CC1 1324293979 NNMMOCHVLFLVNQ-UHFFFAOYSA-N 442.516 4.329 5 20 IIBD Cc1cnc(COC(=O)COc2ccc(Cl)cc2Br)c(C)c1[N+](=O)[O-] 1324469559 RJRPVNDJYWYKPZ-UHFFFAOYSA-N 429.654 4.145 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(c1nnc(-c3ccccc3Cl)n1C[C@H]1CCOC1)CC2 1324676226 DCAUBSNRCWRQEX-OAHLLOKOSA-N 439.903 4.106 5 20 IIBD COc1cc(CNC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc(Cl)c1OC 1337905082 UEPLWUUFVUCBLX-UHFFFAOYSA-N 443.681 4.266 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2c2nnc(-c3cnn(-c4ccccc4)c3)o2)ccc1[N+](=O)[O-] 1345972043 KIJRFEDACDWIDI-FQEVSTJZSA-N 444.451 4.116 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)NC1(c2ccc(NC(=O)C(F)(F)Cl)cc2)CCC1 1791719701 TWUHGUZZIKWNNJ-SOFGYWHQSA-N 439.802 4.167 5 20 IIBD COc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@@]4(C)C[C@H]4C)CCC3)cc2)ccc1[N+](=O)[O-] 1792165787 OITWZGSPQUJFBC-CMJOXMDJSA-N 437.496 4.397 5 20 IIBD O=C(Cc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCCCC1 1795425829 IJJKFROFJQWJLJ-REPLKXPHSA-N 433.936 4.009 5 20 IIBD CC[C@H](C)CC(=O)N1CCC2(CCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)CC1 1806486176 BCWFJMXUCHKUFN-IBGZPJMESA-N 429.561 4.195 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1)c1cccc2cc[nH]c12 1818768557 VIVXKBOGMCVBMW-MRXNPFEDSA-N 448.439 4.012 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)[nH]n1)[C@H]1CC=CCC1 1820828894 OIBPCMVSJMFIST-IFXJQAMLSA-N 441.463 4.119 5 20 IIBD C/C=C(/C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])[nH]n1 1821895430 ZHODJNSGUMCDIP-KHZYOYQBSA-N 445.907 4.172 5 20 IIBD CC(C)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1824278254 CELUHASZVXZNBD-OSICKASQSA-N 431.533 4.257 5 20 IIBD O=C(COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])Nc1c(F)cc(F)cc1Br 9684246 CGIXLTJYPPTFDI-UHFFFAOYSA-N 449.591 4.084 5 20 IIBD Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)Cn1c2ccccc2c(=O)c2ccccc21 10723359 QOQQOZDAOYHGKB-GOSISDBHSA-N 428.488 4.342 5 20 IIBD C[C@H](c1ccc(F)cc1)N(C)C(=O)COC(=O)Cn1c2ccccc2c(=O)c2ccccc21 10723519 CNSUZIVIXGDLKJ-QGZVFWFLSA-N 446.478 4.057 5 20 IIBD CCn1c2ccccc2c2cc(NC(=O)CNC(=O)c3ccc(OC)c([N+](=O)[O-])c3)ccc21 15543518 FWBUBFPFTBQQEG-UHFFFAOYSA-N 446.463 4.100 5 20 IIBD O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)Nc1ccccc1[N+](=O)[O-] 20751052 HQPKVXKMEWPFFM-UHFFFAOYSA-N 438.823 4.275 5 20 IIBD CCN(CC)C(=O)COc1cccc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 27439908 KYDODKWJGBLERI-UHFFFAOYSA-N 427.501 4.392 5 20 IIBD CCOc1ccc([C@@H](NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])c2ccccc2)cc1 30420914 GEJYQDSLTDZRLA-QFIPXVFZSA-N 442.493 4.070 5 20 IIBD CCN(Cc1cccc(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)c1)C(C)=O 31589513 CWLWSIIKBZYMMZ-QGZVFWFLSA-N 438.528 4.452 5 20 IIBD CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)COc1cccc([N+](=O)[O-])c1 36748588 DHTWFEXRFXAOCU-UHFFFAOYSA-N 440.283 4.158 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(CNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C[C@@H](C)O1 60082416 XIZODAFMRVUNDN-OKILXGFUSA-N 437.418 4.475 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2nc(-c3cc(F)ccc3OC)cs2)cc([N+](=O)[O-])c1 60684936 YUFLHZMUHWCZRK-UHFFFAOYSA-N 445.428 4.295 5 20 IIBD CN(CCCOc1cccc(S(C)(=O)=O)c1)C(=O)c1cc2ccccc2c2cccnc12 61310110 KACAFRBHLZYCIM-UHFFFAOYSA-N 448.544 4.333 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)N(Cc2cccc(F)c2)C[C@@H]2CCCO2)cc1[N+](=O)[O-] 65265263 HHLICTLVUZTHGH-INIZCTEOSA-N 442.896 4.066 5 20 IIBD CN(C)CCN(Cc1ccc(F)cc1F)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 72045747 HAVKOFAAGFSFKO-UHFFFAOYSA-N 449.501 4.023 5 20 IIBD Cc1cccc(-c2cccc(CNC(=O)CSc3ccc(C(N)=O)cc3[N+](=O)[O-])c2)c1 72085045 YLSVAEXRXBJPLV-UHFFFAOYSA-N 435.505 4.078 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(OC(C)C)c(OC)c2)cc1OC 106217819 AKFZFPFFJIVUIJ-AWEZNQCLSA-N 432.473 4.289 5 20 IIBD CC(C)n1c([C@H]2CCCN(CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)nc2ccccc21 303589211 RLSDZLOKPMBMKO-SFHVURJKSA-N 435.528 4.368 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1Br 381029664 WTTLECJHYRVNRA-SJORKVTESA-N 431.334 4.019 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)c([N+](=O)[O-])c1 409870802 OYQZDKVDXHAHDD-UHFFFAOYSA-N 426.878 4.379 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cc2ccccc2s1 410387751 XGGUUFYPOAARKV-JTQLQIEISA-N 435.408 4.227 5 20 IIBD O=C(NCC1(Cc2ccccc2)CCCCC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 426191824 WUBSTFQSMDFFFJ-UHFFFAOYSA-N 425.533 4.331 5 20 IIBD CC(C)(C)OC(=O)[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 427431230 HSKVTQILRYRXHO-NRFANRHFSA-N 439.512 4.010 5 20 IIBD C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CC[S@]1=O 430352260 CXUGXUBJCDCXIF-DBDZUICISA-N 438.958 4.383 5 20 IIBD C[C@H](c1ccccc1)N1CCC(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 431447899 WGKRIDYESAUKGU-CQSZACIVSA-N 432.318 4.313 5 20 IIBD C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 437725521 NQVJUJNCQVMMIE-AWEZNQCLSA-N 433.306 4.268 5 20 IIBD O=[N+]([O-])c1ccc2nc(O)cc(-c3nc(-c4cnn(-c5cccc(Cl)c5)c4)no3)c2c1 445658247 VILZYHHMFMHPKT-UHFFFAOYSA-N 434.799 4.405 5 20 IIBD COc1ccc(Cl)cc1N(C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 462139682 GYGNDSVFYGOHBY-UHFFFAOYSA-N 425.677 4.389 5 20 IIBD O=[N+]([O-])c1ccc(Sc2nnc(NCc3ccco3)s2)nc1OCc1ccccc1 462482024 COTOWBPOEFKXAV-UHFFFAOYSA-N 441.494 4.777 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1cc(Br)c(C)cc1OC 462509314 YFZXAKJCEMHKSA-NSHDSACASA-N 438.278 4.122 5 20 IIBD CN(CCOc1ccccc1F)C(=O)COc1ccc([N+](=O)[O-])cc1-c1cccs1 462693254 TWQBVPCZFKFNEB-UHFFFAOYSA-N 430.457 4.379 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C[C@H]1C[C@H]2C=C[C@H]1C2)C1CCN(C)CC1 464688244 IEZBOKFJWLQAGF-CADBVGFASA-N 429.586 4.210 5 20 IIBD COc1cccc(C(=O)Nc2ncc(Cl)cc2C(=O)Cc2cccc(F)c2)c1[N+](=O)[O-] 464716377 YKCANZFEQIMLPS-UHFFFAOYSA-N 443.818 4.469 5 20 IIBD Cc1sc(NC(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(F)(F)F)nc1-c1cccc([N+](=O)[O-])c1 468123452 DXOIODVSIDOZBL-MQYQWHSLSA-N 427.404 4.321 5 20 IIBD CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N[C@@H]1C[C@H](C(C)C)c2ccccc21 469013240 OUPKUVGLCUHXOJ-KZNAEPCWSA-N 445.541 4.040 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(Br)c1I 471082194 VHHDWGJQVGOCBZ-UHFFFAOYSA-N 447.026 4.214 5 20 IIBD CCCOc1ccc(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c(OC(F)F)c1 472300030 WRJBBZXCEGBSOS-UHFFFAOYSA-N 435.427 4.253 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cc(Cl)c(=O)n(C)c2)cc1 472892500 SUZNMBCFDUZQJB-UHFFFAOYSA-N 429.816 4.000 5 20 IIBD O=[N+]([O-])c1cnc(NCc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c(Cl)c1 474784563 LVKDVZLUEKDQIC-UHFFFAOYSA-N 436.852 4.195 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCc2ccc(F)cc21 477493956 UFUIIGAPFUKOBG-GOSISDBHSA-N 432.473 4.197 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(-c3cccnc3)ccc2C)cc1OC 477570110 OQGXOYWBZQGETE-UHFFFAOYSA-N 437.452 4.251 5 20 IIBD O=C(Nc1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])nc1)c1ccccc1 477920835 ZRYDMARSSJTDCW-UHFFFAOYSA-N 441.241 4.257 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC[C@@H]3[C@@H]3CCCC3=O)cc2[N+](=O)[O-])n1 478661455 KWCKTKACTAZLFJ-LSDHHAIUSA-N 431.539 4.485 5 20 IIBD Cc1ccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1NC(=O)N(C)C 478663730 VLBXFHZAMPVCFO-UHFFFAOYSA-N 432.455 4.475 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2cc(Cl)ccc2OCC2CC2)CC1 482646613 LLJCEJAMKNLPTL-UHFFFAOYSA-N 435.933 4.057 5 20 IIBD O=C(CCc1ccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1)N1CCCC1 483046201 WVPCDLMAYIUECA-UHFFFAOYSA-N 436.512 4.346 5 20 IIBD COC(=O)c1cc(NC(=O)CSc2cccc(Br)c2)c(C)c([N+](=O)[O-])c1 485955955 ONIGVSCTBYEHSS-UHFFFAOYSA-N 439.287 4.183 5 20 IIBD O=C(Cc1cccc(OCC(F)(F)F)c1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 486748422 NACLEQMJKQLIDA-UHFFFAOYSA-N 436.308 4.414 5 20 IIBD CC(C)(C)C(=O)c1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 487910462 HXDUGKBTCWFOSB-OAHLLOKOSA-N 429.498 4.128 5 20 IIBD Cn1ccnc1Sc1ccc(F)cc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 488645852 OCPKVIOKFLNPPR-UHFFFAOYSA-N 438.444 4.057 5 20 IIBD C[C@@H](NC(=O)[C@@H](C)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc(Cl)cc1Cl 488968571 AIUJAOWFXVZQKQ-CHWSQXEVSA-N 440.331 4.001 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H](OC)c1ccc(Cl)cc1 489294639 OZBFHKWUJNITNH-YJYMSZOUSA-N 438.933 4.493 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1 489388151 MHXIQEGEVZMQIP-UHFFFAOYSA-N 439.453 4.127 5 20 IIBD COC(=O)c1cc(C(=O)N(Cc2ccccc2)Cc2ccc(OC)cc2)cc([N+](=O)[O-])c1 491685395 NPRLOEBJFRVGSN-UHFFFAOYSA-N 434.448 4.233 5 20 IIBD CCc1cc(=O)c2cc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)ccc2[nH]1 499433270 WLJYNDNWHZZKGP-UHFFFAOYSA-N 434.496 4.487 5 20 IIBD CC(C)c1ccc(C[C@@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 500202565 PQEIBDCKCZXPKN-CRAIPNDOSA-N 429.542 4.132 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc(F)cc2OCCC(F)(F)F)cc([N+](=O)[O-])c1 500215642 CUOBBWQIEKQDIV-UHFFFAOYSA-N 430.310 4.104 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc([C@H]2CN(Cc3ccccc3)CCO2)no1 500833450 HTQPGOFGEFJYTE-IFXJQAMLSA-N 444.875 4.345 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC(CCCN2CCCC2)CC1 500871706 KCHMTDKXORSHLN-UHFFFAOYSA-N 428.558 4.447 5 20 IIBD Cn1c([C@H](NC(=O)CSc2ccccc2[N+](=O)[O-])c2ccccc2)nc2ccccc21 503128710 GVUUVMZTQHBEGD-JOCHJYFZSA-N 432.505 4.479 5 20 IIBD CC(C)Sc1ccc([C@H](C)NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 504748739 CMTJKIAGHNLWQL-ZDUSSCGKSA-N 433.555 4.164 5 20 IIBD CCc1c(-c2ccc(Br)cc2)n[nH]c1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 506474301 MKSYTMHBHAWNCV-UHFFFAOYSA-N 431.246 4.268 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@H](C)c2ccc(NC(N)=O)cc2)cc1[N+](=O)[O-])c1ccccn1 507056479 YTBOQUDZIYIHBT-CABCVRRESA-N 448.483 4.145 5 20 IIBD COC(=O)c1occc1CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)c1ccccn1 508487326 IVIXSNOCWGRFKG-ZDUSSCGKSA-N 443.843 4.426 5 20 IIBD COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)NCc1ccc([N+](=O)[O-])cc1 510476896 SDWWSXGFRWYZHS-KRWDZBQOSA-N 434.290 4.413 5 20 IIBD COc1cc(C(=O)N2c3ccccc3C[C@H]2C)c([N+](=O)[O-])cc1OCc1cscn1 511124650 LMOHNKDPXCTIFG-CYBMUJFWSA-N 425.466 4.230 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)c1ccc(F)c2ccccc12 511771593 JGMYKWBYKNWUFQ-ZDUSSCGKSA-N 425.416 4.102 5 20 IIBD COc1ccc([C@@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])c2ccc(F)cc2)cc1 514027768 WGUKJWJPDUAOAL-QFIPXVFZSA-N 438.459 4.243 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc([C@@H](c3c(F)cccc3Cl)N3CCCCC3)n2)n1C 514891085 UQTLAKXXPPBTSF-OAHLLOKOSA-N 434.859 4.055 5 20 IIBD C[C@@H](Oc1ccc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cn1)c1ccccc1 516519810 CFNJOEYQHHDYED-GOSISDBHSA-N 432.480 4.092 5 20 IIBD CCC1CCN(C(=O)c2ccccc2NS(=O)(=O)c2cc(C)c(C)c([N+](=O)[O-])c2)CC1 518411750 GMOZJONKQQSHCL-UHFFFAOYSA-N 445.541 4.275 5 20 IIBD O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 522017449 OCMAZBGHTVNZBB-ZDUSSCGKSA-N 427.448 4.317 5 20 IIBD Cc1cccc(COc2c(C)cc(CN(C)C(=O)c3c([N+](=O)[O-])c(C)nn3C)cc2C)c1 522338167 UPYCSUCNFLEDJR-UHFFFAOYSA-N 436.512 4.413 5 20 IIBD Cc1nc(Cc2noc(-c3ccc(NCc4ccccc4Cl)c([N+](=O)[O-])c3)n2)no1 524632603 FOCXUYJPQJPGGK-UHFFFAOYSA-N 426.820 4.193 5 20 IIBD CN(C)C(=O)C[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c2ccc(Cl)cc21 525024776 CGTFGPRUXBAQHD-CQSZACIVSA-N 442.903 4.045 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N[C@@H](CCCO)c1ccccc1 525359091 QFSWRDFBPNFGNB-FQEVSTJZSA-N 447.557 4.085 5 20 IIBD Cc1cccc(Oc2cc(CNC(=O)NCCOc3ccc([N+](=O)[O-])cc3)ccn2)c1C 525810224 SZXHGMVEORVHNI-UHFFFAOYSA-N 436.468 4.277 5 20 IIBD C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 527260836 YGBIGPAMIDFIST-OAHLLOKOSA-N 426.450 4.188 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N(CCCO)Cc1ccccc1 532268547 ITCRLUPHTLZBBK-UHFFFAOYSA-N 449.294 4.112 5 20 IIBD C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1NS(=O)(=O)c1cccs1 533626930 SKSSFOIEQDJVQH-CYBMUJFWSA-N 446.510 4.340 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(F)c1I 534748119 BUDNREVSRPRGMS-UHFFFAOYSA-N 429.189 4.002 5 20 IIBD COc1ccc(Cl)cc1CNC(=O)CSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534793462 UIHKSIGQJNSALJ-UHFFFAOYSA-N 447.900 4.461 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 539141049 FRMJTQKGVGJMEJ-BFUOFWGJSA-N 448.317 4.201 5 20 IIBD CCCc1c(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cnn1-c1cccc(F)c1 541488699 ISDSCIOXIQNJAA-UHFFFAOYSA-N 434.431 4.310 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 542016192 GVLULMQFILASGZ-IBGZPJMESA-N 437.418 4.324 5 20 IIBD COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 542072400 GHQOULRNMOSLHD-INIZCTEOSA-N 449.891 4.108 5 20 IIBD COc1ccc(NC(=O)N[C@H](C)[C@H](OC2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] 542960559 BLXKMEBGCOSIAX-VFNWGFHPSA-N 429.473 4.050 5 20 IIBD Cc1cc(C(=O)NCC(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] 543015883 ZIEBARVGZPNXBX-UHFFFAOYSA-N 447.944 4.070 5 20 IIBD Cc1nc(CN2CCC(c3nc(Cc4c[nH]c5ccc([N+](=O)[O-])cc45)no3)CC2)cs1 545784260 ATHHANXSGGYMQM-UHFFFAOYSA-N 438.513 4.194 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1nc(Cc2c[nH]c3cc(Br)ccc23)no1 545838816 FRBNFBUHBZYXLP-UHFFFAOYSA-N 442.273 4.467 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@H](C)c3nc4ccccc4n3C)cc2[N+](=O)[O-])C1 554808231 GPWKWQFWAPISCT-IXDOHACOSA-N 435.528 4.455 5 20 IIBD C[C@H](CN[C@@H](c1ccc([N+](=O)[O-])cc1)c1nccn1C)Oc1ccc(Br)cc1 556873647 ZSTBVHRNEZSNHS-KUHUBIRLSA-N 445.317 4.237 5 20 IIBD CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 558864807 AJWGJXNUIHDZMR-UHFFFAOYSA-N 432.484 4.402 5 20 IIBD COc1cc(OC)c(NC(=O)COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Cl 561764386 ATDITEFXZQGOIV-UHFFFAOYSA-N 434.754 4.302 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@@]2(CCc3ccccc3O2)C1 568813346 YXRKBYSCSDONBB-FQEVSTJZSA-N 435.402 4.293 5 20 IIBD COc1cc(Cc2noc([C@@]34CCC[C@@H]3CN(Cc3ccccc3)C4)n2)ccc1[N+](=O)[O-] 571244336 SXBFHVJOHZPHGL-NTKDMRAZSA-N 434.496 4.131 5 20 IIBD CCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)c1 572449772 AGQGUWGIGVDELW-UHFFFAOYSA-N 433.420 4.276 5 20 IIBD CC(C)c1cc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n(-c2ccccc2)n1 572893725 UJJXVGVKHRVVDV-UHFFFAOYSA-N 449.511 4.280 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@H]2C[C@H](c3ccccc3Cl)C2)ccc1[N+](=O)[O-] 578059387 MRJJTKLRHVWJMT-FIKGOQFSSA-N 441.915 4.224 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@H](Oc2ccc(Cl)cc2)C1 583044295 FMDDJIVYHOAGGT-CQSZACIVSA-N 425.666 4.304 5 20 IIBD C[C@H](C(=O)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1)c1cccc([N+](=O)[O-])c1 584088590 SSHAIUWAAHMEJP-LSRZYVKLSA-N 432.480 4.329 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2cc(Cl)cc3cccnc23)cc1[N+](=O)[O-] 603459698 OWQKMLNAOMDOIV-UHFFFAOYSA-N 440.872 4.328 5 20 IIBD Cc1ccc(CNC(=O)c2cccc(CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)cc1 603761921 TXTYRKNHOFVKAP-UHFFFAOYSA-N 437.883 4.417 5 20 IIBD Cc1ccc(C[C@H](NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c2ccccn2)cc1 609687883 XBESNLWHOYBHPY-DEOSSOPVSA-N 445.523 4.114 5 20 IIBD CC(C)c1cnc(SCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)n1C(C)C 610034630 PRORGZMAEZKHJX-UHFFFAOYSA-N 434.518 4.388 5 20 IIBD Cc1cc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1C(=O)N(C)C 610122926 QFLTUKTXYWFHNZ-UHFFFAOYSA-N 441.431 4.355 5 20 IIBD COc1ccc(Oc2ccc(NC(=O)c3cc(OC)c(OC)cc3[N+](=O)[O-])cn2)cc1 610186550 VZDUWLITYJALIE-UHFFFAOYSA-N 425.397 4.060 5 20 IIBD COc1cc(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 610208540 DAYLSASUKLACAX-BBRMVZONSA-N 433.892 4.262 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N[C@@H]1CCN(C2CCCCC2)C1=O 610820045 CZVYMXRZNGPTDO-OAQYLSRUSA-N 438.484 4.442 5 20 IIBD CC(=O)N1CCCCC[C@@H]1C1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 611170761 QNOPQQGFSKXUSL-JOCHJYFZSA-N 426.517 4.253 5 20 IIBD CCCOc1cc(NC(=O)[C@H]2Oc3ccccc3O[C@H]2C)c([N+](=O)[O-])cc1OCCC 619727621 FMVFVHFMAKCILK-QKKBWIMNSA-N 430.457 4.339 5 20 IIBD O=C(N[C@H]1CCCc2occc21)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727475176 QVODDNOXSQFKET-INIZCTEOSA-N 438.406 4.116 5 20 IIBD C[C@H](c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)c1)N1CCOCC1 729656800 AKWZTPGZIUBVBM-CYBMUJFWSA-N 434.290 4.003 5 20 IIBD C[C@H](OC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)Nc1ccc(N2CCCCC2)cc1 730645785 REWIFYBUOIEXGZ-AWEZNQCLSA-N 431.876 4.423 5 20 IIBD Cc1cc(F)cc2c1N(C(=O)c1cc([N+](=O)[O-])ccc1I)CCC2 731329857 VNMHTGIOSHCOEG-UHFFFAOYSA-N 440.212 4.240 5 20 IIBD O=C(CN1CCC([C@H](O)c2ccc(Cl)cc2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl 731483607 GVNADUNZMRGAIS-HXUWFJFHSA-N 438.311 4.286 5 20 IIBD CC[C@@H](C)[C@H]1CCCCN1C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 737588184 FSKSORIFFLEXJA-IIBYNOLFSA-N 446.525 4.403 5 20 IIBD COc1ccc2oc(C)c(C(=O)OC3CCN(c4ccc([N+](=O)[O-])c(OC)c4)CC3)c2c1 739379077 CRXKPPKLPSKMCU-UHFFFAOYSA-N 440.452 4.492 5 20 IIBD O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1Br 740081969 IRHMQEJWYUEUMR-AWEZNQCLSA-N 434.073 4.128 5 20 IIBD CC(C)(C(=O)OCC(=O)Nc1ccc(N2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1 740391460 LDHHXWXIEUICIJ-UHFFFAOYSA-N 425.485 4.045 5 20 IIBD COc1ccc(C(=O)N2CCCN(C(=O)OC(C)(C)C)c3ccccc32)cc1[N+](=O)[O-] 741738630 PSHJTEGYRUYYQI-UHFFFAOYSA-N 427.457 4.395 5 20 IIBD C[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 742315236 FSTCFWWLDLJWJT-BBRMVZONSA-N 439.331 4.172 5 20 IIBD C[C@H](OC(=O)c1ccc(Br)cc1O)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 743179248 RQIXQJRPVNNOCD-VIFPVBQESA-N 434.202 4.031 5 20 IIBD Cc1ccccc1C1(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CCOCC1 744862157 QUKGGUKWZFWVJI-HNNXBMFYSA-N 446.887 4.175 5 20 IIBD CCOC(=O)c1nc(-c2ccccc2)oc1COC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 744879399 AWTQILGKWSHNBT-UHFFFAOYSA-N 449.419 4.125 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@H](C)c1ccccc1C(F)(F)F 745306288 ADORMMFKZMYJQJ-VXGBXAGGSA-N 440.374 4.296 5 20 IIBD Cc1ccc(-c2ocnc2C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 745359510 PVWCLRZMYWFSMX-LBPRGKRZSA-N 429.816 4.396 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 745386692 XMWKVSNDVLENDJ-SNVBAGLBSA-N 441.318 4.014 5 20 IIBD CN(CC(=O)OCc1coc(-c2ccc(Br)cc2)n1)c1ccccc1[N+](=O)[O-] 745614701 FNWWEYCTRUXQOF-UHFFFAOYSA-N 446.257 4.192 5 20 IIBD O=C(CCc1ccc(Br)cc1)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 748920959 TVRYVGMGIWUVHG-UHFFFAOYSA-N 432.230 4.083 5 20 IIBD O=C(NC[C@H](O)c1c(Cl)cccc1Cl)c1ccc(Br)cc1[N+](=O)[O-] 751067383 JJORWIIYXZPPHG-ZDUSSCGKSA-N 434.073 4.128 5 20 IIBD CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1 753431228 TYPBGSRKLHTEMA-LBPRGKRZSA-N 449.257 4.052 5 20 IIBD C[C@H](C(=O)Oc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1F 754139154 DJKVFLIJBLFYSM-AWEZNQCLSA-N 429.425 4.276 5 20 IIBD COc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F 754982087 KRWKOQUFLZFSOX-MRVPVSSYSA-N 431.203 4.233 5 20 IIBD Cc1c(C(=O)OCCOc2ccccc2[N+](=O)[O-])c(=O)oc2ccc(Br)cc12 756595041 ZJKPGFPJAIBJBT-UHFFFAOYSA-N 448.225 4.008 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1OCc1cn2ccccc2n1 756989559 BJTIREXZLIUHMR-UHFFFAOYSA-N 436.855 4.405 5 20 IIBD CN1CCC[C@H](COC(=O)c2ccc([N+](=O)[O-])n2C)[C@@H]1c1ccc(C(F)(F)F)cc1 757899630 ZBJYJESHMLGFBL-KDOFPFPSSA-N 425.407 4.192 5 20 IIBD CCCCCCN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)c1ccc(Br)cc1 764389142 ZXAPQTDRBCESQQ-UHFFFAOYSA-N 436.306 4.133 5 20 IIBD C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 765053750 AUPITAABCHGSSQ-FUHWJXTLSA-N 442.516 4.308 5 20 IIBD CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)N2Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 774637413 BBZCKTKWEVDTHF-MQVJKMGUSA-N 449.939 4.466 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)cc1[N+](=O)[O-] 775298694 UINPTBIXZCESPO-UHFFFAOYSA-N 449.916 4.047 5 20 IIBD CCCc1cnc(NC(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)s1 776411943 GNFFJGAKODOZNU-UHFFFAOYSA-N 447.494 4.024 5 20 IIBD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nn1C1CCCCC1 776433222 HIDGSZHIHRECNF-CYBMUJFWSA-N 434.880 4.442 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1c(C(F)(F)F)ccnc1Cl 776468224 HTOMQMXJBJTVSX-UHFFFAOYSA-N 428.710 4.069 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3cc(C)n([C@H](C)CC)n3)CC2)ccc1[N+](=O)[O-] 778309432 YKVZGUYDIMDEHA-OAHLLOKOSA-N 430.505 4.295 5 20 IIBD CCOc1ccc(C(F)(F)F)cc1NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781609224 JFLCVZZUJSISNZ-UHFFFAOYSA-N 427.335 4.492 5 20 IIBD O=C(Oc1cc([N+](=O)[O-])ccc1I)c1nc(Cl)ccc1Cl 781746325 GJXFVZDTAOZJMM-UHFFFAOYSA-N 438.992 4.120 5 20 IIBD CC1CCN(c2ccc(C(=O)OCc3cc(=O)oc4cc(O)ccc34)cc2[N+](=O)[O-])CC1 783286100 QVOGLCGPNOABHV-UHFFFAOYSA-N 438.436 4.000 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)C1(Cc2ccccc2Cl)CC1 784283207 REXXLZPRGAXBTA-CYBMUJFWSA-N 432.860 4.150 5 20 IIBD Cc1ccc(F)c(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1Br 785121912 YYMKRHUPLRKVMI-UHFFFAOYSA-N 436.193 4.212 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(I)c1)[C@H]1SCCc2sccc21 788113541 WXHUPWMITCPYTM-ZDUSSCGKSA-N 446.291 4.230 5 20 IIBD C[C@H](Nc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1)c1ccc(N)c([N+](=O)[O-])c1 788752234 DGCSRLLWDXUMFA-HNNXBMFYSA-N 446.463 4.025 5 20 IIBD CN(C)c1cc(F)c(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)cc1[N+](=O)[O-] 791341896 CZWIVCZJWIWWOW-UHFFFAOYSA-N 448.882 4.332 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCc1nccn1Cc1ccccc1 792476472 WULDOUZMIDTPCC-UHFFFAOYSA-N 430.258 4.268 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 798542296 OMNKURGMDFCWAM-UHFFFAOYSA-N 429.307 4.095 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1)c1ccc(F)cc1 800931044 XHFMQFRGHDWQDD-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD COc1ccccc1[C@H](CNc1ccc([N+](=O)[O-])c(C(C)=O)c1)NC(=O)OC(C)(C)C 804360181 SBSQFTQREOWIFZ-SFHVURJKSA-N 429.473 4.484 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(NCc2ccc(OC3CCN(C)CC3)cc2)cc1Cl 804714456 QBPMJLFZCWWFIF-UHFFFAOYSA-N 433.892 4.120 5 20 IIBD COc1cncc(COC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 808488896 ULSUBQBKDVHCDQ-UHFFFAOYSA-N 426.812 4.240 5 20 IIBD O=C(Nc1cccc(CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1)c1ccccn1 812922447 JTKUWIVNUBSMSS-UHFFFAOYSA-N 445.262 4.479 5 20 IIBD O=[N+]([O-])c1ccc2c(I)nn(Cc3ncccc3C(F)(F)F)c2c1 814265974 TWEPKJDUVXNSHM-UHFFFAOYSA-N 448.142 4.011 5 20 IIBD COCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1cccc(Cl)c1[N+](=O)[O-] 814774256 UDLOQZYDBDWUEO-UHFFFAOYSA-N 448.781 4.310 5 20 IIBD CCCCN1C(=O)C[C@@H](C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)[C@@H]1c1ccc(OC)cc1 825487943 JKHTYHMZOLSFLX-VFNWGFHPSA-N 447.438 4.210 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)CC1 874974821 XDZKUCRXQZPBAC-UHFFFAOYSA-N 436.512 4.319 5 20 IIBD C[C@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccc(NC(=O)NC2CC2)cc1 916071790 SQWNCKHOBLGBHN-NSHDSACASA-N 447.289 4.132 5 20 IIBD CCOc1cc(C(=O)Oc2cccc(NC(=O)c3ccccc3)c2)c([N+](=O)[O-])cc1OC 916421762 MODDPDIBECHCDR-UHFFFAOYSA-N 436.420 4.474 5 20 IIBD C[C@H](OC(=O)c1cc(Cl)ccc1N)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 916613728 TTXHSPMXJOYTBU-JTQLQIEISA-N 446.872 4.138 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(Br)cc1Cl 917324967 RVBQIQSWWUKSKI-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Oc1ccc(Cl)c2cccnc12 917858976 GCZHCOUFYLHMOG-UHFFFAOYSA-N 443.662 4.327 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 917984150 MRAFGWUBCSNMDG-CQSZACIVSA-N 448.882 4.290 5 20 IIBD O=C(COC(=O)c1csc([N+](=O)[O-])c1)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 919368176 JAICJQIUQJOWMY-SFHVURJKSA-N 449.488 4.243 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCc1nc(-c2ccccc2)cs1 920120198 MFHIOZGXQPUKPN-UHFFFAOYSA-N 439.449 4.150 5 20 IIBD CN(c1ccccc1)c1ccc(CNC[C@@H](O)COc2cccc(F)c2)cc1[N+](=O)[O-] 920183027 ZZJOBWMOSAXEHF-HXUWFJFHSA-N 425.460 4.031 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCc1ccc(N2CCCCC2)cc1 920805015 DIROWWARHOSUBX-MRXNPFEDSA-N 431.920 4.365 5 20 IIBD O=C(Oc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(CS(=O)(=O)c2ccccc2)c1 921133984 KRZGTBLWNZLKTQ-UHFFFAOYSA-N 431.853 4.441 5 20 IIBD CC(C)[C@H](OC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2sccc2C1 924161458 WGLHLYXEQMVYEV-KUHUBIRLSA-N 448.566 4.290 5 20 IIBD O=C(Nc1cccc(-c2nnc(-c3cccc([N+](=O)[O-])c3)o2)c1)[C@@H]1Cc2ccccc2O1 1117164413 AHHCEDXIXGAATN-FQEVSTJZSA-N 428.404 4.254 5 20 IIBD CCCCOc1ccc(-c2nnc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)o2)cc1OC 1117249001 JVHBKMITVOMKKY-UHFFFAOYSA-N 436.428 4.080 5 20 IIBD O=C(Nc1ccc(SC(F)(F)F)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 1321708882 RTJHOAFRNJHBDP-UHFFFAOYSA-N 427.404 4.296 5 20 IIBD O=[N+]([O-])c1cc(-c2nnc(-c3ccc(Cn4nnc(-c5ccccc5)n4)cc3)o2)cs1 1323934247 NJEBGGBZTFPECP-UHFFFAOYSA-N 431.437 4.075 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2nc(-c3ccccc3)oc2C(C)C)c([N+](=O)[O-])c1 1324283849 WGKZJPOCFGATFR-UHFFFAOYSA-N 439.424 4.177 5 20 IIBD O=Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])o4)CCC3)cc2)s1 1788149947 HNWMTQJQWCEFER-UHFFFAOYSA-N 439.449 4.123 5 20 IIBD Cc1cc(CCCC(=O)N2CCC3(CCCN(C(=O)C(C)C)C3)CC2)c([N+](=O)[O-])cc1F 1808995515 FVOOYXSZLODGTG-UHFFFAOYSA-N 447.551 4.252 5 20 IIBD Cc1ccc([C@H](C)NC(=O)COC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1C 12016321 NCVZQOFAPGWMKL-ZDUSSCGKSA-N 435.274 4.008 5 20 IIBD O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\c1cc(Cl)c2c(c1)OCCCO2 18137092 WPBZVORCHWVSIK-AUWJEWJLSA-N 435.219 4.407 5 20 IIBD Cc1cccc(-c2nc(CC(=O)O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)cs2)c1 26767688 OCCNZRIECJKDIK-HNNXBMFYSA-N 439.493 4.448 5 20 IIBD Cc1nnc(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1Cc1ccccc1 28698239 IRSDRZBZPQWADK-GFCCVEGCSA-N 431.905 4.316 5 20 IIBD CCC(CC)CN(CC)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 32263119 XFJVASHMCVBQHT-UHFFFAOYSA-N 433.530 4.294 5 20 IIBD O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 32665919 MZRYFXPCWXEXOG-OAQYLSRUSA-N 439.903 4.001 5 20 IIBD Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 59775511 GIHHFBJDUNVCOT-HZPDHXFCSA-N 425.485 4.039 5 20 IIBD O=C(NCC1CCN(Cc2cccs2)CC1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 61774033 CWABQAAGNMYLBW-UHFFFAOYSA-N 440.472 4.291 5 20 IIBD C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 71849650 WXQJWIMMGUVWPM-OAHLLOKOSA-N 437.525 4.315 5 20 IIBD Cc1cc(NC(=O)Cc2csc(Cc3ccccc3)n2)n(-c2ccc([N+](=O)[O-])cc2)n1 106203596 HENUSSCYQBQZOF-UHFFFAOYSA-N 433.493 4.317 5 20 IIBD Cc1nnnn1-c1ccc(F)c(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c1 110641193 QAPLCHIJPBXQAF-UHFFFAOYSA-N 434.387 4.063 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 195662119 FSXSVAMGXMUYLC-KRWDZBQOSA-N 439.468 4.326 5 20 IIBD O=C1[C@@H](NCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCN1CC(F)(F)F 237868329 VABXMYOZPKRCEB-HNNXBMFYSA-N 443.809 4.293 5 20 IIBD Cn1c(Sc2ccc(Br)cc2[N+](=O)[O-])nnc1[C@H]1COc2ccccc2O1 301203732 XVXNNYLOGXBWAY-CQSZACIVSA-N 449.286 4.150 5 20 IIBD O=C(Cc1cccc(F)c1)N1CCCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 301490779 BAVBBYRGAKALIJ-UHFFFAOYSA-N 425.382 4.034 5 20 IIBD Cc1c(CNc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)cccc1[N+](=O)[O-] 302733281 VEJAOEIEEHUIQJ-UHFFFAOYSA-N 439.781 4.128 5 20 IIBD COc1cc(Cl)c(C)cc1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 303198619 NUKGNYWUGHNOOG-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Cl)ccc1I 318528882 SRLVDXXVAWTARF-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD COC(=O)C[C@H](NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)c1ccc(OC(F)(F)F)cc1 409677073 CDZGFXUSDZDDJX-HNNXBMFYSA-N 441.362 4.228 5 20 IIBD Cc1ccccc1[C@]1(F)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 409888381 ASSSLCCUQVPSHW-KRWDZBQOSA-N 432.395 4.181 5 20 IIBD C[C@@H]1CN(Cc2ccc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2)C[C@@H](C)O1 410367814 LDBOMFYQFUBTNT-HUUCEWRRSA-N 432.908 4.179 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N(CCc1ccccn1)Cc1cccnc1 431310878 FVJUEJLSPWDNKL-UHFFFAOYSA-N 441.285 4.032 5 20 IIBD CCCOc1cc(NC(=O)N2CCc3ccccc3[C@H]2CO)c([N+](=O)[O-])cc1OCCC 434221664 YUESKTVSWURCPE-HXUWFJFHSA-N 443.500 4.296 5 20 IIBD O=C(NCc1cccc(NC(=O)c2ccncc2)c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 436141829 BVCOLDRGBTYNPW-UHFFFAOYSA-N 448.482 4.259 5 20 IIBD CC(C)(CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1ccc2c(c1)OCCO2 436230840 JKLVNTCUJAIPEG-UHFFFAOYSA-N 446.478 4.299 5 20 IIBD CCn1c(SCC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)nnc1-c1cccs1 437109944 KHCKDUGVPZDKPR-UHFFFAOYSA-N 443.554 4.218 5 20 IIBD COc1cc(C(=O)N2CC(OC(F)F)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 437585917 BKPVPPUOSALIMH-UHFFFAOYSA-N 428.775 4.113 5 20 IIBD O=C(Nc1ccc(OCC(F)(F)F)nc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 437786681 OHZQYHANXCKFKA-UHFFFAOYSA-N 440.378 4.006 5 20 IIBD O=C1[C@@H](N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)CCN1c1cccc([N+](=O)[O-])c1 441074468 MUDBBHAFFKRDFS-DOMZBBRYSA-N 440.447 4.055 5 20 IIBD COc1cc(NC2CCN(C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CC2)cc(OC)c1 443952027 LOGZJWIWLADDJI-UHFFFAOYSA-N 428.489 4.337 5 20 IIBD CC(C)C[C@@H](CNC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N[C@@H](C)c1ccccc1 445220460 UROWDBJZJPOXNA-WMZOPIPTSA-N 438.532 4.036 5 20 IIBD Cc1c(C)n(C[C@@H]2CCCO2)c2ncnc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])c12 445992901 LTKTWMGLCKMDOM-ZDUSSCGKSA-N 429.864 4.041 5 20 IIBD O=C(c1ccc(F)cc1)C1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 447718823 ZAJHOWUBHUVNLK-UHFFFAOYSA-N 425.460 4.069 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NC[C@H](C)Oc3ccccc3Cl)cc2)c(C)c1[N+](=O)[O-] 460450456 NRUAQBGWFHVQQB-AWEZNQCLSA-N 442.903 4.307 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(c1nnc(-c3ccccc3F)n1C[C@H]1CCCCO1)CC2 461823570 AKFSULVCZUCDAN-LJQANCHMSA-N 437.475 4.124 5 20 IIBD CC(C)CNC(=O)COc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 462663970 RZOBGAVDECVBTC-UHFFFAOYSA-N 440.283 4.305 5 20 IIBD CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 464996717 MTIRIWQBOVPRKH-MRXNPFEDSA-N 441.484 4.085 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccncc3Cl)cc2)cc1[N+](=O)[O-] 465051977 FRTPSUVDYBRBGR-UHFFFAOYSA-N 446.872 4.005 5 20 IIBD CC(C)(C)OC(=O)Cc1ccccc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 465287544 DXYYVOFNTFMVJE-UHFFFAOYSA-N 439.512 4.334 5 20 IIBD O=C(CSc1nnc(-c2cccs2)n1C1CC1)NCc1ccc([N+](=O)[O-])cc1Cl 466280739 MSFPNSQOYDDTOO-UHFFFAOYSA-N 449.945 4.312 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(I)ccc2Cl)c1 466870577 NEGASMCXUCTFHV-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD NC(=O)c1ccccc1Oc1ccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1 467310900 ZDKJQXIAZCNOTM-UHFFFAOYSA-N 434.452 4.317 5 20 IIBD COCCN(C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[C@@H]1CCCSC1 468595233 DFWHQHHMFUXCGW-LJQANCHMSA-N 429.542 4.191 5 20 IIBD Cn1c(Sc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)nnc1-c1ccc(C(C)(C)C)cc1 468727458 VMVSVISDGPHNDL-UHFFFAOYSA-N 446.554 4.243 5 20 IIBD COc1ccccc1[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)OC(C)C 471573965 LDUVPKNULFPZKX-VWLOTQADSA-N 444.531 4.446 5 20 IIBD COc1c(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cccc1[N+](=O)[O-] 474789985 HQHXQRXZCBDZRG-MRXNPFEDSA-N 438.267 4.154 5 20 IIBD Cn1c(O)nc2ncc(-c3cccc(C(=O)N(Cc4cccc([N+](=O)[O-])c4)C4CC4)c3)cc21 475229846 HNTDUCXIEAYRRA-UHFFFAOYSA-N 443.463 4.054 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1 475564188 IOOFWNMYGQZGSB-MRXNPFEDSA-N 434.378 4.260 5 20 IIBD CC(C)Oc1ccc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1C(N)=O 478524818 WYCVKHSPHDDODU-UHFFFAOYSA-N 448.479 4.345 5 20 IIBD CC(=O)N[C@H](C)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 478684336 JZYJGKDCMMCHRB-OAHLLOKOSA-N 427.526 4.123 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)c1[N+](=O)[O-] 479116334 SSZDOLYCBMJUIX-UHFFFAOYSA-N 438.918 4.108 5 20 IIBD COC(=O)[C@@](C)(NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 479239016 XCWJITVNEQFYIX-KRWDZBQOSA-N 431.659 4.373 5 20 IIBD COc1cc(CS(=O)(=O)Cc2cccc(C(F)F)c2)c([N+](=O)[O-])cc1OC(F)F 479822549 KNEZORYXUBCTSB-UHFFFAOYSA-N 437.367 4.257 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2ccccc2C(F)(F)F)c1 481421735 QYGPLCJBNJAFGT-UHFFFAOYSA-N 425.182 4.177 5 20 IIBD CCOc1ccc(C(=O)N[C@@H](C)c2ccc(NC(=O)N(CC)CC)cc2)cc1[N+](=O)[O-] 483301624 VSAVFQKRUPGADY-HNNXBMFYSA-N 428.489 4.358 5 20 IIBD CCO[C@@H](C)c1nc(CN2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)cs1 484560579 FZUXBHDTLBAHKZ-HNNXBMFYSA-N 427.530 4.019 5 20 IIBD CCOC(=O)c1ccnc(N2CCC[C@H]2c2ccc(Br)c(F)c2)c1[N+](=O)[O-] 485408753 OIOMXZCJVMWMAC-HNNXBMFYSA-N 438.253 4.410 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccnc(OC2CCOCC2)c1 486816692 CPQXJENXSYMMHA-UHFFFAOYSA-N 445.541 4.226 5 20 IIBD COC(=O)c1cc(NC(=O)NC[C@@H]2CCCO[C@H]2c2ccc(C)cc2)c(C)c([N+](=O)[O-])c1 486860203 RVGQLSUXYIBJHU-UWJYYQICSA-N 441.484 4.288 5 20 IIBD O=C(Nc1ncc(Cc2ccc(F)c(F)c2)s1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 487288143 AWCDDZBEWBBJCM-UHFFFAOYSA-N 441.419 4.358 5 20 IIBD CCOc1c(Cl)cc(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1OC 487662597 RTGGQGZJZXWABD-UHFFFAOYSA-N 430.791 4.187 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] 487985358 DKLRPJWRCFAHRG-CRAIPNDOSA-N 429.904 4.286 5 20 IIBD Cn1c(=O)c(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])cc2ccccc21 488692806 JTHGBUDONJGSNP-UHFFFAOYSA-N 428.317 4.108 5 20 IIBD CCCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H](C)C(=O)Nc1ccccc1C 490102267 YMNOPNMGSHKIQT-SFHVURJKSA-N 426.517 4.279 5 20 IIBD Cn1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Nc2cccc(C(F)(F)F)c2)cc1=O 490538577 FGNWOJSZVACBFX-UHFFFAOYSA-N 432.358 4.308 5 20 IIBD COc1cc(C(=O)N[C@H]2CCc3[nH]c4ccc(C)cc4c3C2)c([N+](=O)[O-])cc1OC(F)F 491573982 LDAGODIBCKDCMP-LBPRGKRZSA-N 445.422 4.282 5 20 IIBD CSc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 497626233 AGVBQVXKVCQYJB-ZDUSSCGKSA-N 439.287 4.025 5 20 IIBD CCCN(CCc1cccc(F)c1)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 499552887 KTGGOVXHONWRQQ-JOCHJYFZSA-N 441.503 4.128 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)[C@@H](C)c3ccco3)cc2)cc1[N+](=O)[O-] 499560401 MTHNNBVFWUXMNR-HNNXBMFYSA-N 443.481 4.130 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1C[C@@H]1c1ccc(F)cc1F 500954267 VBWUPKNMFQFQIY-KGLIPLIRSA-N 429.345 4.224 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1ccc(OCC(F)(F)F)c(Cl)c1 504920306 RMTJILIKCNWVGX-UHFFFAOYSA-N 443.769 4.387 5 20 IIBD CCc1cccc2c1OCC[C@@H]2Nc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-] 506754609 POZLOAWGSGDQTN-SFHVURJKSA-N 433.530 4.123 5 20 IIBD Cc1occc1CN(C)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 507906237 ABEUGBCOLTZTEG-UHFFFAOYSA-N 425.407 4.390 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 508149785 KWSDZMDLAUMZJD-HNNXBMFYSA-N 445.483 4.371 5 20 IIBD COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)CC2 508771668 TZEUBMRAKWSDRX-XMMPIXPASA-N 448.475 4.409 5 20 IIBD Cc1ccc(-c2csc(CN3CCN(C(=O)c4ccc([N+](=O)[O-])s4)CC3)n2)cc1 509310904 RFWPEELHVQPPPG-UHFFFAOYSA-N 428.539 4.046 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCc1ccc(Oc2cccc3ccccc23)cc1 512397694 HHYKSVYERGSECZ-UHFFFAOYSA-N 429.432 4.018 5 20 IIBD CCOC(=O)c1csc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)n1 515204810 BPJJVGQVFFUVQV-UHFFFAOYSA-N 443.437 4.281 5 20 IIBD CCCOc1ccc(Cl)cc1NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O 515443075 HIYYVQOKYIFXJU-UHFFFAOYSA-N 442.859 4.144 5 20 IIBD CC(C)[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)N1CCc2ccccc2C1 515606457 NMCQEFGCPOJBSA-DEOSSOPVSA-N 436.556 4.326 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N(Cc1ccccc1)C[C@@H]1CCCO1 516632512 ZLBLUNBKJQQEHI-NRFANRHFSA-N 426.516 4.363 5 20 IIBD COc1cc(CNC2(c3ccc(F)cc3)CCOCC2)c([N+](=O)[O-])cc1OC(F)F 517252794 SJZWFZISXFNSRW-UHFFFAOYSA-N 426.391 4.139 5 20 IIBD O=[N+]([O-])c1cc(-c2ccccc2)ccc1OCc1ccc(S(=O)(=O)N2CCCC2)o1 517914709 VAMWENUBSITHFU-UHFFFAOYSA-N 428.466 4.218 5 20 IIBD C[C@H](Nc1ccc(C(=O)N(CCN(C)C)Cc2ccccc2)cc1[N+](=O)[O-])c1ccccn1 520985629 SECUNRQOUCAYHW-IBGZPJMESA-N 447.539 4.367 5 20 IIBD CN(CCNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)CC(F)(F)F 522113875 VLVOVWKCXGRFBT-UHFFFAOYSA-N 433.434 4.031 5 20 IIBD C[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H](OC1CCOCC1)c1ccccc1 534728242 KKSOPTIEZKIGAW-FYSMJZIKSA-N 437.496 4.060 5 20 IIBD Cc1ccc(Sc2ccc(CN3CCC[C@@H](N4CCNC4=O)C3)cc2[N+](=O)[O-])cc1 536652729 FXNSVPFLCQDRRH-GOSISDBHSA-N 426.542 4.044 5 20 IIBD O=C1CNC(=O)N1Cc1cccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1 538822646 XQKRILVOOYRKGN-UHFFFAOYSA-N 440.843 4.172 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(CS(=O)(=O)C(C)(C)C)cc2)c1 539518661 JQRWOOOZVDIYFP-UHFFFAOYSA-N 434.514 4.024 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c1 539523465 VOAQGHDPBAGWDG-AOMKIAJQSA-N 449.910 4.274 5 20 IIBD O=C(O)CCCOc1ccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 539566196 SVKIPPJMVHKFJE-UHFFFAOYSA-N 427.438 4.214 5 20 IIBD CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)CCOc1cc(C)ccc1[N+](=O)[O-] 540626067 AMLFHDXORKUBAI-NRFANRHFSA-N 425.529 4.043 5 20 IIBD Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])C2)c1 540892356 HTGZXHSMVBAZNU-SFHVURJKSA-N 443.931 4.076 5 20 IIBD COc1ccc(NS(=O)(=O)c2ccc(OCC(F)F)c3ccccc23)cc1[N+](=O)[O-] 542933477 NVIUBGPCOWNWPO-UHFFFAOYSA-N 438.408 4.201 5 20 IIBD COc1ccc(NC(=O)CCN[C@H](C)c2oc3ccc(OC)cc3c2C)c([N+](=O)[O-])c1 543510828 NACHADCSFFDJKW-CQSZACIVSA-N 427.457 4.346 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1[N+](=O)[O-] 543908868 WPLYVPVBFPVUGG-HIFRSBDPSA-N 425.411 4.226 5 20 IIBD CCn1c(SC[C@@H](O)COc2ccccc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 544047816 MQBMCOBRODWEKH-HNNXBMFYSA-N 434.905 4.059 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(Cc3ccc(Oc4ncccn4)cc3)no2)ccc1N1CCCC1 544662438 FAGYGKINHAVDCB-UHFFFAOYSA-N 444.451 4.418 5 20 IIBD C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 545458285 ZBVIYYNWAZOUQG-IUHNQTRMSA-N 429.439 4.085 5 20 IIBD Cc1cc(Cc2noc(Cc3csc(NC(=O)c4ccccc4)n3)n2)ccc1[N+](=O)[O-] 545850901 KOYKMELNUKVSDM-UHFFFAOYSA-N 435.465 4.177 5 20 IIBD Cn1ccc2ccc(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)cc2c1=O 557197671 RILPEZWACSXCQL-UHFFFAOYSA-N 431.398 4.064 5 20 IIBD C[C@@H](NC(=O)N(C)CCc1ccccc1[N+](=O)[O-])c1ccc(OCC(F)(F)F)cc1 557804734 RVHCDFJMARRMBY-CQSZACIVSA-N 425.407 4.481 5 20 IIBD Cn1c(SCC(=O)c2ccc(C(F)(F)F)cn2)nc2cc3ccccc3cc2c1=O 561439849 CMMXIYNCJLGTES-UHFFFAOYSA-N 429.423 4.476 5 20 IIBD COC(=O)C[C@](C)(NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1cccc(OC)c1 566881152 SAULSDRNLVVRPC-NRFANRHFSA-N 428.466 4.026 5 20 IIBD COc1cc([C@H](C)NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)ccc1OC(C)C 569417197 ABRYAIOJNYIJEY-HNNXBMFYSA-N 429.473 4.056 5 20 IIBD COc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 572851579 QVRNYGIQRKQXNA-JXFKEZNVSA-N 433.424 4.084 5 20 IIBD CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)c1nccc(C(N)=O)c1[N+](=O)[O-] 573891003 JSEFMDSNTVEKON-UHFFFAOYSA-N 447.706 4.344 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1NC1CCN(C)CC1 576592900 BKGUWJDGTZCZIR-UHFFFAOYSA-N 447.333 4.424 5 20 IIBD C[C@H]1CN(c2cc3ncnc(O)c3cc2[N+](=O)[O-])C[C@H](c2cccc(C(F)(F)F)c2)O1 583788342 JZPLAGZGPXIRIZ-BBATYDOGSA-N 434.374 4.229 5 20 IIBD COc1ccc(Cc2nc(-c3ccc4nc(-c5cscn5)[nH]c4c3)no2)cc1[N+](=O)[O-] 584325252 PWJMUXAEPFTEEE-UHFFFAOYSA-N 434.437 4.244 5 20 IIBD CCOC(=O)c1cc(CC)sc1NC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] 585699292 FUEQVZFDPKWPJD-UHFFFAOYSA-N 444.412 4.258 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc(C(=O)NC4CC4)cc3)cc2[N+](=O)[O-])C1 589735310 DGBWGSJFCDPXRG-HOTGVXAUSA-N 436.512 4.222 5 20 IIBD COc1cc(C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)c([N+](=O)[O-])cc1OC(F)F 603496560 UOIFZNIWBRUPOP-CQSZACIVSA-N 438.383 4.015 5 20 IIBD CCCCN(C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)[C@H](C)c1ccc(C)o1 603531396 JTUVCEVUVIUBAR-QGZVFWFLSA-N 438.484 4.354 5 20 IIBD CCCOc1cc(NC(=O)c2cn(-c3ccccc3)nn2)c([N+](=O)[O-])cc1OCCC 603566066 JYOHTLROAGUFDO-UHFFFAOYSA-N 425.445 4.005 5 20 IIBD O=C(CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1)N1CCCC1 603766320 FMTLYLSSSVREQI-UHFFFAOYSA-N 437.496 4.252 5 20 IIBD O=C(c1ccccc1)C1CCN(c2ccc(I)cc2[N+](=O)[O-])CC1 603847149 RFYIEUAWQJXTJZ-UHFFFAOYSA-N 436.249 4.299 5 20 IIBD CCOc1cc(C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OC 604257196 AOGNFDXWXLCPGV-NXEZZACHSA-N 444.328 4.205 5 20 IIBD CC1CCN(Cc2cccc(CNC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)c2)CC1 608861174 ARFMHVPPSCTKAN-UHFFFAOYSA-N 447.539 4.157 5 20 IIBD CCOc1cc(NC(=O)N[C@@H](c2nc(C3CC3)no2)C(C)C)c([N+](=O)[O-])cc1OCC 609046467 DEOAVKZRDSWWQE-QGZVFWFLSA-N 433.465 4.171 5 20 IIBD CN(CCOc1cccc(CNc2ccc([N+](=O)[O-])c3cccnc23)c1)C1CCOCC1 609075142 KKVHXMBCLDFPDI-UHFFFAOYSA-N 436.512 4.245 5 20 IIBD C[C@H](NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1cccc(OCc2ccccn2)c1 609490737 YVTQHMXURZQQOJ-HNNXBMFYSA-N 444.447 4.314 5 20 IIBD CC(C)OCCOCc1cccc(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)c1 609549029 XIXZMJLNOFYJBW-UHFFFAOYSA-N 425.441 4.043 5 20 IIBD Cc1cc(OCc2ccccc2)ccc1NC(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 609778459 RFJUXAPRCVUQTC-QGZVFWFLSA-N 433.464 4.298 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 609787607 MNCQXALCIUGIOB-CYBMUJFWSA-N 443.809 4.084 5 20 IIBD Cc1ccc(NCCCNC(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)c([N+](=O)[O-])c1 610102309 RYZBROCWRGTXPF-QGZVFWFLSA-N 437.500 4.436 5 20 IIBD COC(=O)c1cc(NC(=O)N(C)C[C@H]2CCCO[C@H]2c2ccccc2)c(C)c([N+](=O)[O-])c1 617019881 FESMFRUXQOEFDF-UTKZUKDTSA-N 441.484 4.321 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@@H]1CCCN(Cc2ccccc2)C1 620737322 ANHULBJKZXVPLZ-QFIPXVFZSA-N 439.559 4.183 5 20 IIBD Cc1cc(C(=O)NCc2cccc(NC(=O)c3cc(C)cc([N+](=O)[O-])c3)c2)cc([N+](=O)[O-])c1 725715515 IPLWKPRTBFEYMA-UHFFFAOYSA-N 448.435 4.302 5 20 IIBD CSc1ccc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1 725985550 MMSWKQRNKINLFH-JTQLQIEISA-N 439.287 4.263 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCc2noc(-c3ccc(Cl)cc3)n2)cc1SC 728650538 IGRIZYBAZJCUFA-UHFFFAOYSA-N 435.845 4.386 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2ccc(C)cc2Cl)cc1SC 728651300 SCTRPEXTASJFDF-LLVKDONJSA-N 438.889 4.471 5 20 IIBD O=C(OCc1cc2c(cc1Br)OCCO2)c1c(Cl)cccc1[N+](=O)[O-] 730645023 IHUXJVVXXWKBHI-UHFFFAOYSA-N 428.622 4.139 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 731614261 QXHKBWDGENKZHN-UHFFFAOYSA-N 447.875 4.077 5 20 IIBD CCc1ccc(-c2csc(NC(=O)COC(=O)c3cc(OC)ccc3[N+](=O)[O-])n2)cc1 732333487 XECZUOPZIVHQHD-UHFFFAOYSA-N 441.465 4.085 5 20 IIBD O=C(Nc1ccc(OCC2CC2)cc1)c1cc([N+](=O)[O-])ccc1I 733111585 DAGNLTYRYBIOES-UHFFFAOYSA-N 438.221 4.241 5 20 IIBD O=C(Nc1ccc(F)cc1)C1CCN(Cn2c(=S)oc3ccc([N+](=O)[O-])cc32)CC1 738150185 ZYTOTVKCXZXZEI-UHFFFAOYSA-N 430.461 4.319 5 20 IIBD C[C@@H](CN(C)C(=O)OC(C)(C)C)c1noc(-c2ccc([N+](=O)[O-])cc2Br)n1 740616776 NFRSTLXVWCIMLT-JTQLQIEISA-N 441.282 4.378 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)cc1[N+](=O)[O-] 742027398 DJMKWOFTKHYYRT-CYBMUJFWSA-N 444.868 4.054 5 20 IIBD O=C1CN(CN2Cc3ccccc3C[C@@H]2c2ccccc2)C(=O)N1c1cccc([N+](=O)[O-])c1 743377370 OKMNHSFOGOTHKH-HSZRJFAPSA-N 442.475 4.121 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)c1nc(C(C)C)n(-c2ccccc2F)n1 744058153 YJLBEEFWKOTJAR-UHFFFAOYSA-N 428.420 4.194 5 20 IIBD Cc1ccc(-c2csc(NC(=O)CN(C)c3ccccc3[N+](=O)[O-])n2)cc1[N+](=O)[O-] 744356898 JCRUOAZKJMUVCX-UHFFFAOYSA-N 427.442 4.010 5 20 IIBD Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1C 744554499 QDJQDDVMURRCMR-QGZVFWFLSA-N 425.485 4.386 5 20 IIBD Cc1ccc(-c2ocnc2C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 745359509 PVWCLRZMYWFSMX-GFCCVEGCSA-N 429.816 4.396 5 20 IIBD C[C@@H](C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Br)s1 745640235 SFRSQHBXZPDUGH-SECBINFHSA-N 438.259 4.316 5 20 IIBD O=C(COC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1)Nc1ccc(Cl)cc1[N+](=O)[O-] 745746624 QGLMJUGMQMJZFC-HNNXBMFYSA-N 447.658 4.160 5 20 IIBD C[C@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1N1CCC(O)CC1 748071309 KQURFFJEKYPWNJ-LSDHHAIUSA-N 447.532 4.053 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)c1ccc(NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 749275818 ONMWUZZOECOPKW-HNNXBMFYSA-N 440.500 4.182 5 20 IIBD O=C(NCC1(c2c(F)cccc2F)CCCC1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 750372207 UJDKVRBVXZMAKJ-UHFFFAOYSA-N 437.830 4.093 5 20 IIBD CCOC(=O)CC[C@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 752218355 BZEDXUOCNZYWTJ-LLVKDONJSA-N 447.713 4.206 5 20 IIBD C[C@@H](OC(=O)c1c(F)ccc([N+](=O)[O-])c1F)C(=O)N(c1nccs1)C1CCCCC1 752564762 HLPDNOJHRIZBMS-LLVKDONJSA-N 439.440 4.241 5 20 IIBD CCCc1c(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cnn1-c1cccc(F)c1 753265660 VKGYMBWZJDPVQR-OAQYLSRUSA-N 437.431 4.004 5 20 IIBD C[C@H](OC(=O)C[C@@H](C)c1ccncc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 754943002 TXTIAYATYILYTA-KGLIPLIRSA-N 440.481 4.177 5 20 IIBD C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754967306 MFEYRMCMCCPCOE-FMTVUPSXSA-N 437.265 4.487 5 20 IIBD O=C(NC1CCN(C2CCCCC2)CC1)c1cc(F)cc([N+](=O)[O-])c1Br 755019974 COSAPTPHFFZAMW-UHFFFAOYSA-N 428.302 4.023 5 20 IIBD C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 755024000 CVIUQYGQIXQXPG-MGPLVRAMSA-N 426.242 4.130 5 20 IIBD Cc1cc(C)cc(OCc2noc(COC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)n2)c1 755056578 TUIFSCYLWHUSLF-CQSZACIVSA-N 429.404 4.160 5 20 IIBD COc1ccc(CN(C)C(=O)[C@H](OC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C(C)C)cc1 755069951 ZHNLJUPSXIUVCV-QVKFZJNVSA-N 446.475 4.072 5 20 IIBD CC[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C 757363343 ZSJOTISOWUUSFM-WFASDCNBSA-N 445.438 4.379 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCCc3cc(SC(F)F)ccc32)cc1 757677007 WCJFJGQEIDXILO-SFHVURJKSA-N 442.509 4.350 5 20 IIBD COc1ccc(C=O)c(Br)c1OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760566261 SRUQUBKLBJPSPI-UHFFFAOYSA-N 433.214 4.412 5 20 IIBD CN1CC[C@H](CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)[C@@H]1c1ccc(Cl)c(F)c1 762575729 ZDWBQIQYRQRYMW-VLIAUNLRSA-N 448.882 4.449 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1 764564178 RIWAOIYUJVAOFX-CQSZACIVSA-N 447.532 4.298 5 20 IIBD CC(=O)N1CC[C@@H](COC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C1 767993946 QCXVWQRVIILGOF-CQSZACIVSA-N 434.901 4.425 5 20 IIBD COc1ccc(C(=O)C2CCN(Cc3ccc(Br)c([N+](=O)[O-])c3)CC2)cc1 768228142 YCPIPCJPFIPFJC-UHFFFAOYSA-N 433.302 4.461 5 20 IIBD O=C(NC[C@H](O)c1ccncc1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 768326055 XVDZINBJFDMTLR-SFHVURJKSA-N 429.885 4.258 5 20 IIBD CCc1ccc(C(=O)Nc2sccc2C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 769606727 UFLPHQNSNHNELT-UHFFFAOYSA-N 449.492 4.277 5 20 IIBD O=C(OCc1csc(Nc2ccccc2)n1)c1cc(Br)ncc1[N+](=O)[O-] 769833364 OFGYHBVYRMZWCN-UHFFFAOYSA-N 435.259 4.309 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCC1 769921716 SZDFQZREIJXQAB-LJQANCHMSA-N 430.505 4.423 5 20 IIBD CC(C)([C@@H](OC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1)[N+](=O)[O-] 774367294 GWLCSNYPLMTTCS-KRWDZBQOSA-N 437.246 4.240 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 777404029 OWPKZTKPAYATAK-AWEZNQCLSA-N 445.501 4.117 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(Cn2ccnc2[C@@H](O)c2ccccc2)cc1OC 777523467 NNGUINFKEDCDPD-ZHRRBRCNSA-N 425.485 4.355 5 20 IIBD NC(=O)c1cccc(Oc2ccc(NC(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)cc2)c1 777991792 JKUAAHZSBGUDRN-UHFFFAOYSA-N 427.363 4.217 5 20 IIBD Cc1nc(C(=O)O[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)nn1-c1ccccc1C(C)C 778788899 WAKWGFQJNCJMRS-LJQANCHMSA-N 435.484 4.043 5 20 IIBD O=C(c1cc(Cl)ncc1Cl)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 780174121 TZTJFYMYSMVSNP-UHFFFAOYSA-N 449.216 4.278 5 20 IIBD CN(Cc1ccc(Cl)s1)C(=O)COC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 781259853 JDGWEUHCZCQWOE-UHFFFAOYSA-N 440.908 4.212 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])OCCc1cccc(Cl)c1Cl 788940857 IJBQOEFOKJNOAR-UHFFFAOYSA-N 431.659 4.071 5 20 IIBD O=C(COc1cc(F)c(Br)cc1[N+](=O)[O-])Nc1cc([N+](=O)[O-])ccc1Cl 790295873 MAPNEGMORURCCO-UHFFFAOYSA-N 448.588 4.076 5 20 IIBD CC(C)O[C@H](COC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccccc1 795231894 DLKVAJOQFBRAHQ-GOSISDBHSA-N 442.497 4.198 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccnc(F)c1F 795672156 WASXVVNSVPDSMX-QGZVFWFLSA-N 447.781 4.458 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)Nc1ccc(SC(F)F)cc1 795710282 AYWVFKVTEYGXAR-UHFFFAOYSA-N 426.397 4.104 5 20 IIBD O=C(COCc1ccccn1)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 805856411 YUSSXJRUMJJSND-UHFFFAOYSA-N 441.827 4.018 5 20 IIBD CC(C)(C)c1nc(CN2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3Cl)CC2)cs1 809915581 YJHBFXDEZSPIBW-UHFFFAOYSA-N 437.953 4.352 5 20 IIBD O=C(OCC(=O)c1ccc(C(F)(F)F)nc1Cl)c1ccc(NC2CC2)c([N+](=O)[O-])c1 811030722 IEGCVOKLKHKEAY-UHFFFAOYSA-N 443.765 4.276 5 20 IIBD O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cc(N2CCOC2=O)ccc1F 811218422 ABZXFZGEPKSWMJ-UHFFFAOYSA-N 443.412 4.171 5 20 IIBD CCOC(=O)[C@H](c1ccc(Cl)cc1)N(CC)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 818105381 HAGTXESAOGDHIW-SFHVURJKSA-N 449.847 4.231 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3ccc(N=S(C)(C)=O)cc3)cc2[N+](=O)[O-])CC1 821634897 ZIWSERQQHGRQHV-UHFFFAOYSA-N 430.530 4.443 5 20 IIBD CC(C)[C@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@@H]1CCOc2ccccc21 877031403 QVIFBDDELHSLNL-APWZRJJASA-N 432.860 4.070 5 20 IIBD CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 918551724 VRBMGYPODBWJLM-GFCCVEGCSA-N 440.258 4.052 5 20 IIBD COc1ccccc1[C@H](C)N(C)C(=O)COC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 918991385 VFRPYXOGRFGRNI-ZDUSSCGKSA-N 428.466 4.195 5 20 IIBD Cc1cc(=O)c(C(=O)O[C@H](C)c2ccc(F)c(Cl)c2)nn1-c1ccccc1[N+](=O)[O-] 920162619 PMUIJWJILLCXJX-GFCCVEGCSA-N 431.807 4.160 5 20 IIBD C[C@H](Nc1ccc(C(=O)O[C@H](C(=O)N(C)C)c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 920545340 QFZXPSDJUAYSIE-AOMKIAJQSA-N 448.479 4.149 5 20 IIBD COc1cccc(NC(=O)[C@@H](OC(=O)c2cc(OC)ccc2[N+](=O)[O-])c2ccccc2)c1 920703831 UXUPJIXXFXSUCY-NRFANRHFSA-N 436.420 4.149 5 20 IIBD COc1ccc(OC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c(C(C)(C)C)c1 928416011 KVSDSOLTNCSQBN-UHFFFAOYSA-N 442.497 4.400 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@H]1CCCN(C(=O)c2ccccc2)C1 1320489195 CGRARAHFYQINFK-HNNXBMFYSA-N 436.390 4.040 5 20 IIBD CN(c1ccc(CNCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1)S(C)(=O)=O 1322713603 KXNRPZOXOUSXKJ-UHFFFAOYSA-N 449.916 4.194 5 20 IIBD O=C(c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2CCCC[C@@H]2C1 1337821312 WTFUQCSNWKOHBX-DLBZAZTESA-N 443.525 4.048 5 20 IIBD O=C(NCc1ccc(Br)cc1F)c1sc(Br)cc1[N+](=O)[O-] 1340825989 HMYTZEHLYSQOID-UHFFFAOYSA-N 438.072 4.250 5 20 IIBD CC[C@@H](O)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3C)CCC2)cc1 1786066100 XGKRPUTYKQMCSO-LJQANCHMSA-N 445.903 4.075 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1)c1ccnc(Cl)c1 1787384196 HGQWWRARAZBCLP-UHFFFAOYSA-N 439.859 4.033 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@@H]3CCC=CO3)cc2)CCC1)c1cc(F)cc([N+](=O)[O-])c1 1789504110 IHGIBKUIKLRUAJ-FQEVSTJZSA-N 439.443 4.174 5 20 IIBD C[C@@H](C(=O)NC1(c2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc2)CCC1)n1cccc1 1790757962 SDXQFRWWQMBLMK-INIZCTEOSA-N 448.479 4.111 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)NC1(c2ccc(NC(=O)C3(F)CCC3)cc2)CCC1 1792056790 JXGLTRLPPLCKNK-UHFFFAOYSA-N 441.459 4.249 5 20 IIBD CCCCC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1cc([N+](=O)[O-])ccc1F)C2 1801711432 DQSHCNDRNKHSAQ-KANFNMMFSA-N 433.524 4.131 5 20 IIBD CC(C)=CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CSc1ccccc1[N+](=O)[O-] 1802184024 RZHQWUWBDVCQKL-BCDXTJNWSA-N 431.558 4.072 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1)[C@H]1C[C@H]1c1ccccc1 1822319479 COTXILBDBZQASJ-BQFCYCMXSA-N 449.467 4.021 5 20 IIBD Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)c1F 1823901731 WWJRWSNHRACGDK-SFHVURJKSA-N 443.475 4.182 5 20 IIBD O=C(Cc1cc(F)ccc1[N+](=O)[O-])N1CCC([C@H]2CCCCN2C(=O)C2CCCC2)CC1 1826258444 QPPSHEGLTMMVKG-OAQYLSRUSA-N 445.535 4.086 5 20 IIBD CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)CC1 1826352897 ZSISEJYKLHSUKK-NRFANRHFSA-N 427.545 4.046 5 20 IIBD Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1F 1829963784 FXDGJRMKTXQQNF-IBGZPJMESA-N 443.475 4.182 5 20 IIBD Cc1ccc(C(=O)N2CCCC23CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)C3)c(F)c1 1845295544 PUQCYIJNJFRTCP-UHFFFAOYSA-N 445.878 4.135 5 20 IIBD Cc1c(C(=O)N2CC3(CCCN3C(=O)[C@@H](C)c3ccccc3)C2)cc(Cl)cc1[N+](=O)[O-] 1847051276 CONVVQYDSPVITD-HNNXBMFYSA-N 441.915 4.177 5 20 IIBD O=C(COc1ccc2oc3c(c2c1)CCCC3)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 23582507 XWJWVTGHBCPDPV-UHFFFAOYSA-N 449.419 4.392 5 20 IIBD CCCn1c(C)cc(C(=O)COC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1C 24900975 LXBVULYNKPKWQL-UHFFFAOYSA-N 427.501 4.066 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCc1cccc(F)c1 26761351 QKUXJSSLYRLTPD-UHFFFAOYSA-N 445.472 4.198 5 20 IIBD O=[N+]([O-])c1nn(CCOc2ccc(Cl)cc2Br)cc1Br 48628719 DWRVBLOGVFCFAS-UHFFFAOYSA-N 425.464 4.049 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccnn1Cc1ccc(Br)cc1 58544066 YZKGEPYAWAMJCN-UHFFFAOYSA-N 444.289 4.043 5 20 IIBD CCOc1cc(C(=O)Nc2cccc(CN3CCSCC3)c2C)c([N+](=O)[O-])cc1OC 61308098 QBDOEKIMQVDRCR-UHFFFAOYSA-N 445.541 4.112 5 20 IIBD COC(=O)c1ccc(OC(C)C)c(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 63774854 QLNLFTWOPIVNPQ-LBPRGKRZSA-N 435.864 4.261 5 20 IIBD COc1cc(C(=O)NCCc2c(Cl)cccc2Cl)c([N+](=O)[O-])cc1OC(F)F 64783762 GMNVJSCAKDXGOG-UHFFFAOYSA-N 435.210 4.484 5 20 IIBD Cc1cc(NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)ccc1Oc1cccnc1 72028931 RPZJGJXBVALZNT-UHFFFAOYSA-N 430.424 4.232 5 20 IIBD Cc1c(C(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)nnn1-c1cccc([N+](=O)[O-])c1 107676960 LLKZZFGZSAQQSR-UHFFFAOYSA-N 446.442 4.034 5 20 IIBD CC(=O)Nc1ccc(Cl)cc1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 109446242 IPWJJTYVHCHJDH-UHFFFAOYSA-N 441.875 4.321 5 20 IIBD O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 195624405 RJPSKTMRNWNVLQ-UHFFFAOYSA-N 428.452 4.233 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)CCSc1ccccc1Br 195711702 BVQPXKLEROQKNW-UHFFFAOYSA-N 425.304 4.165 5 20 IIBD O=[N+]([O-])c1cc2c(O)ncnc2cc1NCC1CCN(Cc2ccccc2Cl)CC1 301161600 ASXJPCGRYZPMSW-UHFFFAOYSA-N 427.892 4.221 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(CNc3ccc([N+](=O)[O-])cc3Br)cc2)C[C@H](C)O1 301387518 XXEOUOSCDMJKFH-KBPBESRZSA-N 448.317 4.219 5 20 IIBD O=[N+]([O-])c1cc(Cl)cnc1Sc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 301727860 BOCCJXDLBHPGDL-CQSZACIVSA-N 435.868 4.371 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(c2nc3ccccc3s2)CC1 302838867 SRGXZTUZTBREHT-AWEZNQCLSA-N 436.497 4.138 5 20 IIBD Cc1csc(-c2cccc(S(=O)(=O)N3CCS[C@H]3c3ccc([N+](=O)[O-])cc3)c2)n1 409475062 HCHGREYEXRPNRU-IBGZPJMESA-N 447.563 4.463 5 20 IIBD COc1ccc([C@H](OC)[C@H](C)NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 426221898 FUTAJOFEAAOZDS-KPZWWZAWSA-N 441.406 4.198 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@H](c2ccc(Cl)cc2)c2cnccn2)c1C 427282717 UPSSXPOMQYGDBO-HXUWFJFHSA-N 446.916 4.065 5 20 IIBD CN(CCCC(=O)O)C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 427758767 KCJLBYKYBJWQBK-SSZFMOIBSA-N 439.493 4.458 5 20 IIBD C[C@@H]1CCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])[C@H](C(N)=O)C1 428623183 OOLJTEWYRGFCPT-WBMJQRKESA-N 433.917 4.125 5 20 IIBD O=C(Nc1ccc(CCC(=O)N2CCCC2)cc1)c1ccc(Br)cc1[N+](=O)[O-] 429842747 RPWRFGAPZMCYAN-UHFFFAOYSA-N 446.301 4.165 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O 430463297 JYZFLTVWRZNIAZ-IRLDBZIGSA-N 432.517 4.350 5 20 IIBD COCCOc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1Cl 431452419 NRJBLUNWEXZUPC-UHFFFAOYSA-N 429.654 4.288 5 20 IIBD CCN(CC)CCN(CCC(F)(F)F)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 431503704 CGJGYUFNSGOMDC-UHFFFAOYSA-N 440.260 4.094 5 20 IIBD Cc1noc(C)c1[C@@H](C)CNc1ccc([N+](=O)[O-])c(NC[C@H](C)c2c(C)noc2C)n1 433774347 NXQWQPUHYNDBLD-RYUDHWBXSA-N 428.493 4.631 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)N1CCC[C@H](OCCO)C1 434638854 VOMCPEWEGXKWRJ-INIZCTEOSA-N 436.917 4.013 5 20 IIBD CC[C@@H](c1ccccc1)N(CC(C)C)C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 435855639 KREFNLXNMMTNKN-IBGZPJMESA-N 437.496 4.498 5 20 IIBD Cc1c(Cl)cccc1NC(=O)CCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 438019143 XNCLUOFQDNDAJP-UHFFFAOYSA-N 430.892 4.259 5 20 IIBD O=C(Nc1cncc(F)c1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 439628292 KEFXSSUAQLWUDU-UHFFFAOYSA-N 441.488 4.207 5 20 IIBD Cc1sc(Br)c(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)c1C 440455407 UGXNTPPELROCFH-UHFFFAOYSA-N 427.276 4.449 5 20 IIBD O=C(CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])Nc1ccc(F)cc1 440713757 HKLDVEUYVLNNTP-UHFFFAOYSA-N 425.441 4.254 5 20 IIBD O=C(NCCCc1nnc2n1CCCC2)c1ccccc1Sc1ccccc1[N+](=O)[O-] 442657653 YGTQJDDFPUQTCK-UHFFFAOYSA-N 437.525 4.036 5 20 IIBD Cc1cc(Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)nc(-c2ccc(Cl)cc2)n1 443533195 VBNCNQWAQOZVKX-UHFFFAOYSA-N 433.855 4.286 5 20 IIBD O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444021158 NGRIGNCMYKCZPW-UHFFFAOYSA-N 448.841 4.454 5 20 IIBD CN(CC1(O)CCOCC1)C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 444524447 IMMUXKYJJKHOHI-UHFFFAOYSA-N 436.917 4.013 5 20 IIBD O=C(N=c1nc(-c2ccccc2)[nH]s1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444654644 ZIBLOYZGHTVEFT-UHFFFAOYSA-N 434.427 4.152 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cc(NC(C)=O)cc(C(F)(F)F)c3)n2)c1 445582522 HOFODCQKJKDBLP-UHFFFAOYSA-N 436.346 4.221 5 20 IIBD COc1cccc(C)c1NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 446300236 MAIJUKULHWAOGT-UHFFFAOYSA-N 438.406 4.285 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N(Cc1ccc2c(c1)CCO2)C1CCCC1 446896681 QFTOLJCULZPZNK-UHFFFAOYSA-N 435.484 4.060 5 20 IIBD Cc1ccccc1CN(Cc1cccnc1)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 446903370 YNANBUQBKFBIIQ-UHFFFAOYSA-N 430.468 4.087 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)cc1SC 460517981 FTBQDTRUNQLRJA-AWEZNQCLSA-N 449.960 4.498 5 20 IIBD O=C(c1ccnc(Oc2ccc(F)cc2F)c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 461394118 GHYZYHFGGMTQNB-UHFFFAOYSA-N 427.363 4.095 5 20 IIBD Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)cc2)n1 461570462 DGGBIYQEIVUNMI-QGZVFWFLSA-N 430.468 4.074 5 20 IIBD C[C@H](c1ccc(F)cc1)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 461644335 AYUFRIFSKQAQAL-CVEARBPZSA-N 425.464 4.226 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C(=O)N2CCCC2)ccc1OC 462484481 SFENVMONOSJGRY-KRWDZBQOSA-N 425.485 4.047 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](c1ccc(Cl)cc1)c1noc(C)n1 462606932 NBSNBMNYYRVQBG-HNAYVOBHSA-N 428.876 4.414 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(CS(=O)(=O)N[C@H](C)CC)c1 462629537 URXFBFBEXZHCGS-APWZRJJASA-N 447.557 4.020 5 20 IIBD CS(=O)(=O)c1ccc(Sc2n[nH]c(-c3cc(Cl)cc(Cl)c3)n2)c([N+](=O)[O-])c1 462900108 IWGCWBQUROOPMD-UHFFFAOYSA-N 445.309 4.241 5 20 IIBD COc1cc(NC2CCN(C(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)CC2)cc(OC)c1 463955383 RVEPYTORLGFARI-UHFFFAOYSA-N 428.489 4.337 5 20 IIBD COc1cc(CN[C@H](C)c2cc3c(cc2Br)OCCO3)c([N+](=O)[O-])cc1F 464491611 AGAKNTCVDTYGQM-SNVBAGLBSA-N 441.253 4.127 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCCc1ccccc1OC(F)(F)F 465079756 KAVLNBRPWUEENJ-UHFFFAOYSA-N 447.207 4.157 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCN(c2ccccc2Cl)C1=O 465987385 SZFVVIOZXAFRGP-LJQANCHMSA-N 444.919 4.066 5 20 IIBD C[C@@H](CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Oc1ccc(Cl)cc1 466382507 HHYIIPXPADYLGK-HNNXBMFYSA-N 433.892 4.269 5 20 IIBD Cn1cc(CNCc2ccc([N+](=O)[O-])cc2Cl)c(-c2ccc3c(c2)OCCCO3)n1 466475794 VYRXLQGQWLRQIL-UHFFFAOYSA-N 428.876 4.100 5 20 IIBD O=C(NCCc1cn2c(n1)SCC2)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 466727325 COCCBIFOVZOPRY-UHFFFAOYSA-N 426.523 4.021 5 20 IIBD CC(C)C(=O)NCCN(C)C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 468349892 OQGXGZHNDQXONB-UHFFFAOYSA-N 435.933 4.244 5 20 IIBD CCN(C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)[C@@H](C)c1cc2ccccc2o1 468932487 JNPIHDPRUNIKEQ-AWEZNQCLSA-N 435.436 4.218 5 20 IIBD Cn1c([C@@H]2CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2Br)nc2ccccc21 469150809 SMTOPPGYWGGDNS-SFHVURJKSA-N 443.301 4.150 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCC(=Cc2ccc(F)c(F)c2)CC1 469644304 NNFBZMJYYTUWEU-UHFFFAOYSA-N 435.814 4.171 5 20 IIBD COc1ccccc1[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)OC(C)C 471576033 ZAHFUSBEXVOUEP-SFHVURJKSA-N 437.290 4.262 5 20 IIBD CCOc1cc(C(=O)N(Cc2ccc(OC)cc2OC)C(C)(C)C)c([N+](=O)[O-])cc1OC 472505476 RMZSLLJWHDPXEW-UHFFFAOYSA-N 446.500 4.460 5 20 IIBD C[C@H](c1ccc(Cl)cc1Cl)N(C)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 477149452 KXEWWZWNWYJNGI-SNVBAGLBSA-N 447.296 4.055 5 20 IIBD O=C(c1ccc(-c2cccs2)o1)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 478082151 AQMNXGDKSRHHAS-UHFFFAOYSA-N 437.481 4.145 5 20 IIBD Cc1nncn1-c1cccc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 478375323 VNRJUNPPDLVWAB-HNNXBMFYSA-N 443.467 4.304 5 20 IIBD CC(C)CCSc1ccc(C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)cc1[N+](=O)[O-] 478426031 JNSHQGIZKWCAPB-UHFFFAOYSA-N 434.539 4.315 5 20 IIBD CCNC(=O)c1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)c1 480647299 LRXJFHWITJFTLV-UHFFFAOYSA-N 435.505 4.426 5 20 IIBD CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)NCc1cccc([N+](=O)[O-])c1C 481179909 KLMSPZZROVPXEM-UHFFFAOYSA-N 439.299 4.380 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(C(=O)OC(C)(C)C)n(-c2ccccc2)n1 482696226 UCDRENSZQJOLAR-UHFFFAOYSA-N 436.468 4.008 5 20 IIBD COC(=O)c1cc(NC(=O)Nc2ccc(F)cc2OC2CCOCC2)c(C)c([N+](=O)[O-])c1 483520798 NDBJMOFGSLYMGZ-UHFFFAOYSA-N 447.419 4.031 5 20 IIBD CC(C)(C)[C@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(F)cc1 483700425 NEIRQJMBWPDJLJ-HXUWFJFHSA-N 429.448 4.326 5 20 IIBD COC(=O)[C@H](C)N(C(=O)c1cc(C)cc([N+](=O)[O-])c1)c1ccc(Br)cc1C 484807688 BIMIAPRYPVNYPB-ZDUSSCGKSA-N 435.274 4.182 5 20 IIBD CCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] 484941039 WTNQDGBQUFVRET-GOSISDBHSA-N 441.818 4.487 5 20 IIBD Cc1cccn2cc(-c3ccc(NC(=O)c4ccc(-n5cncn5)c([N+](=O)[O-])c4)cc3)nc12 485279293 BNSFSBRSFNLYRT-UHFFFAOYSA-N 439.435 4.051 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)c2cccc(NC(=O)[C@H]3Cc4ccccc4O3)c2)cc1[N+](=O)[O-] 488090926 LOBLNPAWZGBHRE-WAIKUNEKSA-N 445.475 4.336 5 20 IIBD COc1c(F)cc(S(=O)(=O)N(Cc2ccco2)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 488304519 CLNAIHBCQINBRE-UHFFFAOYSA-N 440.836 4.384 5 20 IIBD CCOC(=O)c1ccnc(N2C[C@@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] 488702215 IOTYNHLXIVKONU-WBMJQRKESA-N 439.390 4.152 5 20 IIBD O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)c1cc([N+](=O)[O-])ccc1OC(F)F 489344353 IOTCDHZOLJAAIO-UHFFFAOYSA-N 426.788 4.042 5 20 IIBD C[C@H](Oc1ccccc1Br)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 489380128 OSIZGRBPCUMUDH-NSHDSACASA-N 431.246 4.153 5 20 IIBD CCn1c(SCc2nc(O)c3c(C)c(C)sc3n2)nnc1-c1ccc([N+](=O)[O-])cc1 489417779 ZTXPZEVLOUUQSC-UHFFFAOYSA-N 442.526 4.493 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1[N+](=O)[O-] 494007851 UIKRMXKNPBOWGT-SNVBAGLBSA-N 429.782 4.391 5 20 IIBD CCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)[C@@H](c1ccc(Cl)cc1)c1ccccn1 497900576 SMICAPQCCGZIAG-QFIPXVFZSA-N 441.919 4.485 5 20 IIBD COc1ccc(-c2cc(NC(=O)c3c([N+](=O)[O-])c(C)nn3C)ccc2OC(F)F)cc1 498007463 KYXKRSVZUXKEOK-UHFFFAOYSA-N 432.383 4.166 5 20 IIBD C[C@@H](NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(Oc2ccccc2)cc1 499703584 JKHVRTXZJCZZAV-OAHLLOKOSA-N 433.420 4.172 5 20 IIBD CSc1nc(C)c(CCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(C)n1 500249907 MLGUMAQRWDCUGF-UHFFFAOYSA-N 429.527 4.418 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOC[C@@H]1c1nc2ccccc2s1 500710574 FKAWJVPEGXOYME-SUMWQHHRSA-N 429.523 4.285 5 20 IIBD Cc1cc(C)c(NC(=O)CCC[S@@](=O)Cc2cc([N+](=O)[O-])cc3c2OCOC3)c(C)c1 501352251 HIIDQKVLYSENEH-WJOKGBTCSA-N 446.525 4.054 5 20 IIBD O=C(CNc1ccc(Cl)cc1OCC(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc21 504093701 MAUXOGBDSLTPDY-UHFFFAOYSA-N 429.782 4.191 5 20 IIBD CN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@H]1CCSc2ccc(Br)cc21 504580362 SYSCOHJLHQUSPC-INIZCTEOSA-N 437.315 4.432 5 20 IIBD O=C(Nc1ccc2cccc(Cl)c2n1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 505424425 ZNLXRJKMOCVSNX-CYBMUJFWSA-N 430.873 4.101 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1[N+](=O)[O-] 509804139 PODMTFKLPQOBDU-KRWDZBQOSA-N 441.228 4.158 5 20 IIBD COc1cc(C(=O)N(C)Cc2ccc(F)cc2F)c([N+](=O)[O-])cc1OCc1cscn1 509864111 JIWJYFTVHUEKGI-UHFFFAOYSA-N 449.435 4.189 5 20 IIBD CC(C)NC(=O)Nc1ccc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 510818376 TYSOFQSDHLRART-UHFFFAOYSA-N 437.403 4.048 5 20 IIBD O=[N+]([O-])c1cc2c(cc1Cc1nc([C@H](F)c3ccc(C(F)(F)F)cc3)no1)OCCO2 512011919 WFROIKUBJKTBGY-QGZVFWFLSA-N 439.321 4.418 5 20 IIBD COc1cc(C(=O)N2CCc3c(F)cc(F)cc32)c([N+](=O)[O-])cc1OCc1cscn1 512210179 COIXGHIFXDMMKF-UHFFFAOYSA-N 447.419 4.120 5 20 IIBD CCOc1cc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c([N+](=O)[O-])cc1OCC 512280356 WONWSWSZMNKCCD-UHFFFAOYSA-N 432.448 4.218 5 20 IIBD CN([C@H]1CCCc2ccccc21)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 517488544 DEPZHXOZVBANGI-KRWDZBQOSA-N 425.304 4.055 5 20 IIBD C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(OCc2cccnc2)cc1 518660414 MSWUZFGXSDFRKM-CQSZACIVSA-N 447.900 4.262 5 20 IIBD O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCc2nc(-c3ccccc3Cl)sc2C1 519557699 JCIASHNLPJDYJY-AWEZNQCLSA-N 445.928 4.170 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)N(Cc1ccc2c(c1)OCO2)C1CCCCC1 522319747 OCNPYWPEJJWSLB-UHFFFAOYSA-N 425.485 4.411 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 523732289 ZEVFRNRNDNSRCS-BLBHWQHRSA-N 431.297 4.186 5 20 IIBD CC(C)OC1CCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 525599222 GAIHDZLZJMTJQL-UHFFFAOYSA-N 448.523 4.406 5 20 IIBD O=C(c1ccc(-c2ccccc2C(F)(F)F)o1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 530558258 ZKQIRETZFLGSHB-UHFFFAOYSA-N 446.385 4.231 5 20 IIBD Cc1nnc(SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)n1[C@H]1CCC[C@@H](C)C1 536088995 KRIRKFKZEQDBNG-HIFRSBDPSA-N 431.518 4.336 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cc1OC 538052651 UQCXKXDCKZKXKF-HNAYVOBHSA-N 438.839 4.055 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 538255009 YWPFMBNMGAWARN-UTKZUKDTSA-N 443.569 4.115 5 20 IIBD O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccc(Br)cc1[N+](=O)[O-] 539150722 YUQLRJDVLBUOND-GDBMZVCRSA-N 443.656 4.410 5 20 IIBD CCOc1cc(Sc2nnc([C@H](C)N(C)C)n2-c2ccc(F)cc2)ccc1[N+](=O)[O-] 539994705 PLGSZYYIKHPQDY-ZDUSSCGKSA-N 431.493 4.487 5 20 IIBD Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F 542542034 LKTGLSQACWGKBP-NSHDSACASA-N 427.354 4.077 5 20 IIBD CC[C@H](C)n1c(Sc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])nnc1-c1ccccc1 543032687 XEBPMJCFVKPNQN-NSHDSACASA-N 438.556 4.441 5 20 IIBD CN(C)CCCOC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 543535024 SUVRJRGSBBILMH-UHFFFAOYSA-N 449.617 4.450 5 20 IIBD CC(=O)c1cc(Br)cc(F)c1OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 544078883 ZKGMCZQKWUGUGL-UHFFFAOYSA-N 436.193 4.328 5 20 IIBD COc1ccc(Cc2noc(Cc3cccc([N+](=O)[O-])c3C)n2)c(Br)c1OC 546378245 YDAUOFJOWVJXHU-UHFFFAOYSA-N 448.273 4.248 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2cc(OCC)ccc2[N+](=O)[O-])CC1 549037942 KUEPZJRWPMZHTB-UHFFFAOYSA-N 445.541 4.212 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOc2ccc(Br)cc2C1 549190851 OEZVYUYVGQUDQO-OAHLLOKOSA-N 433.302 4.347 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1OCCc2sccc21 554205694 RCVPKOFHAKBMTA-QLJPJBMISA-N 425.304 4.160 5 20 IIBD CN(C)c1nc2ccc(NC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])cc2[nH]1 559056818 ZAGQKAKKWOUKLM-UHFFFAOYSA-N 431.452 4.368 5 20 IIBD COc1cccc(OC)c1OC[C@H](O)COc1ccc([N+](=O)[O-])cc1-c1cccs1 559284011 YEOLPRFFMKXNJP-OAHLLOKOSA-N 431.466 4.159 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N(Cc1ccc(F)cc1Cl)CC1CC1 560995421 WQWRJEQSRGTZCT-UHFFFAOYSA-N 434.851 4.140 5 20 IIBD CCCC[C@H](C)N(CCCC)C(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 568432544 AMLWFXLLKMCPJN-SFHVURJKSA-N 432.565 4.084 5 20 IIBD Cc1c(CNC(=O)C(=O)N[C@@H](c2cccc(Cl)c2)C2CCCC2)cccc1[N+](=O)[O-] 578256964 ARFMWBGOYDBJHM-HXUWFJFHSA-N 429.904 4.221 5 20 IIBD C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 580234174 KERIQLNAGURAIR-KRWDZBQOSA-N 441.535 4.007 5 20 IIBD COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])cn3C)C2)n1 580501252 CCKJRNLHKPQUGK-CQSZACIVSA-N 426.498 4.085 5 20 IIBD COc1ccc2c(c1)C1(CC1)CN(C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C2 582520023 VVIAJUPORLWRFG-UHFFFAOYSA-N 435.402 4.379 5 20 IIBD COC(=O)c1cc(-c2nc(C3(c4ccccc4Br)CC3)no2)cc([N+](=O)[O-])c1 583110803 VDNZFRGZHARYML-UHFFFAOYSA-N 444.241 4.274 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O 590538081 PDCKUVDFDVTQNF-OLMNPRSZSA-N 425.323 4.212 5 20 IIBD NC(=O)c1ccc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c([N+](=O)[O-])c1 601045179 VZIHATLXDRKHKN-UHFFFAOYSA-N 433.795 4.097 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)Nc3ccccc3F)cc2)cc1[N+](=O)[O-] 603746500 XYIYCQMSWILDLY-UHFFFAOYSA-N 444.444 4.487 5 20 IIBD COc1cc(CCNC(=O)N(Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)c([N+](=O)[O-])cc1OC 603801968 IPXAIVAPWREBJX-KSSFIOAISA-N 443.500 4.245 5 20 IIBD CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 603876027 MOEVQZJNKOHMFZ-SJLPKXTDSA-N 444.702 4.084 5 20 IIBD O=C(Nc1cccc(CN2CCOCC2)c1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 604483052 AIPYPOXDPAAQNN-UHFFFAOYSA-N 446.507 4.291 5 20 IIBD Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)C(=O)NCc1ccccc1[N+](=O)[O-] 609084438 HNFFFGYPEBHDDR-KRWDZBQOSA-N 433.464 4.298 5 20 IIBD COc1ccc(N(CC(C)C)S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 609411313 WEIXMMZSWVOEQA-UHFFFAOYSA-N 443.319 4.217 5 20 IIBD O=C(NCCSCCOc1cccc(Br)c1)c1cc(F)cc([N+](=O)[O-])c1 609533486 AHIGGQKRCMACMY-UHFFFAOYSA-N 443.294 4.038 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)Nc1cc(F)ccc1OC[C@H]1CCCO1 610095107 IEJXAQCCALQORI-LJQANCHMSA-N 431.464 4.436 5 20 IIBD NC(=O)c1cnc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)s1 619733767 URJFZPJVGLKESJ-UHFFFAOYSA-N 434.886 4.207 5 20 IIBD CC[C@@H]1CCc2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(Br)c3)sc2C1 727251348 SIVUCNCBLCQAPG-SECBINFHSA-N 446.348 4.130 5 20 IIBD O=C(CN1CCCCCCC1)Nc1ccc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 727325241 VDYMDEDZDDHLLT-UHFFFAOYSA-N 428.464 4.191 5 20 IIBD COc1cccc(Cn2c(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nc3ccccc32)c1 728003600 ZPLOZCJXKOSWBE-UHFFFAOYSA-N 447.407 4.162 5 20 IIBD C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 728340229 JLMIWUMGJDDYAV-UONOGXRCSA-N 437.477 4.241 5 20 IIBD COc1ccc(NC(=O)CCN2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 731483523 XPMIHPDGYIRWFN-QFIPXVFZSA-N 447.919 4.031 5 20 IIBD O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(C2SCCS2)cc1 731501147 AYUNNKWVGODIIO-QGZVFWFLSA-N 430.507 4.036 5 20 IIBD O=C(N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1cc(Cl)ccc1[N+](=O)[O-] 732137748 KFAMKQAKFXVMFV-OAHLLOKOSA-N 426.275 4.435 5 20 IIBD CCN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@@H](c1cccnc1)c1ccc(F)c(F)c1 732962236 AEORSADTFCXAGE-JOCHJYFZSA-N 445.397 4.424 5 20 IIBD COc1cc(CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C2CC2)ccc1OC(F)F 733184437 KCLJOTBHQDULNV-UHFFFAOYSA-N 433.411 4.259 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N[C@H](c1ccccc1)C1CCOCC1 734485363 WPLIASFDXQCWOP-GOSISDBHSA-N 444.431 4.468 5 20 IIBD CC(=O)N1C[C@@H](C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)Oc2ccccc21 735251475 NKIMAFZNNNWIHK-QFIPXVFZSA-N 433.420 4.140 5 20 IIBD CCCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCN(C(=O)OC(C)(C)C)C1 735438338 GQFXHYHOWAANGK-INIZCTEOSA-N 425.913 4.039 5 20 IIBD CO[C@H](c1ccc(Cl)cc1)[C@@H](C)Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] 736298697 JJHSTLFHRWJPFU-HWPZZCPQSA-N 434.848 4.433 5 20 IIBD CC[C@@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)c1ccc(OC)cc1 738605542 SYUPYGWYSNXYRN-HSZRJFAPSA-N 429.472 4.368 5 20 IIBD COc1ccc(CN(CCO)c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])c(OC)c1 742418204 MZYNLXFOQXEXOB-UHFFFAOYSA-N 434.798 4.283 5 20 IIBD CN(C)c1ccc(N2CCC(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 742708839 OUYDSKSDWSOCGE-UHFFFAOYSA-N 436.434 4.078 5 20 IIBD CCN(C)C[C@H]1CCN([C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C1 744423293 CMKHAXOESIMLPS-IERDGZPVSA-N 430.936 4.202 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 745564385 AQRJHFIIJNDMFP-SNVBAGLBSA-N 430.766 4.301 5 20 IIBD Cc1c(C(=O)OCc2cccc(OCC(F)(F)F)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748945328 WXXFGRMDVFTIPH-UHFFFAOYSA-N 428.319 4.418 5 20 IIBD Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 748947497 MAZQBSLIRGAYLG-UHFFFAOYSA-N 429.429 4.347 5 20 IIBD COc1ccc(CN(Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C2CCCCC2)cc1OC 749943455 GTTXJBNOJDJJTN-UHFFFAOYSA-N 439.516 4.458 5 20 IIBD CN(C)[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1ccsc1 750842852 CIGLKCLIYXKEET-ZDUSSCGKSA-N 432.727 4.105 5 20 IIBD Cc1c(C(=O)NCC[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 753292505 FCBGAZMQTQUXDA-BEFAXECRSA-N 440.500 4.150 5 20 IIBD Cc1c(NC(=O)c2cccc([N+](=O)[O-])c2Br)cccc1C(=O)N1CCCC1 753812403 CVGYBQZKSATEPW-UHFFFAOYSA-N 432.274 4.154 5 20 IIBD Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754637767 XUWDZIWAAXPAJX-UHFFFAOYSA-N 436.237 4.406 5 20 IIBD CC(=O)c1cccc(NC(=O)[C@H](OC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C(C)C)c1 755059776 GQSZAOZNLWCJQN-RNODOKPDSA-N 430.432 4.247 5 20 IIBD Cc1nc(C(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)c(-c2ccccc2)s1 755644330 CPZZELUVMHTWOG-UHFFFAOYSA-N 438.509 4.495 5 20 IIBD CC[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCO1 756105606 SFSINTKTKKYYPL-MJGOQNOKSA-N 431.876 4.188 5 20 IIBD Cc1cccc(NC(=O)[C@H](C)OC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1C 756524838 FNOUIFCUADXEQE-ZDUSSCGKSA-N 435.274 4.087 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCCc1csc(-c2ccc(Cl)cc2)n1 759999820 YQGUSJNYBDWVAZ-UHFFFAOYSA-N 441.900 4.080 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CS(=O)(=O)Cc3c(F)c(F)c(F)c(F)c3F)co2)cc1 760228919 AGCSILCDTGGNQV-UHFFFAOYSA-N 448.325 4.060 5 20 IIBD CC(=O)Nc1cc(C(=O)O[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc(C(F)(F)F)c1 761282822 KMQIHXUVSZRVJD-JKSUJKDBSA-N 440.378 4.109 5 20 IIBD CCCCN(C)CC1CCN(Cn2nc(-c3ccc([N+](=O)[O-])cc3)n(CC)c2=S)CC1 765006033 JLIJVKWCEMNABL-UHFFFAOYSA-N 446.621 4.411 5 20 IIBD C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 765053754 AUPITAABCHGSSQ-WMZOPIPTSA-N 442.516 4.308 5 20 IIBD CCOc1ccc2ccccc2c1OC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 766861491 YJGASCYOXUBNCD-OAHLLOKOSA-N 438.411 4.244 5 20 IIBD Cc1ccc(Cc2nc(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cs2)cc1 768651895 JUJDELJLKBHALJ-UHFFFAOYSA-N 445.884 4.399 5 20 IIBD Cc1c(C(=O)NCC2(CCOCc3ccccc3)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 770076959 AKQDENSPYSNRFQ-UHFFFAOYSA-N 427.457 4.237 5 20 IIBD O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1cccc(OCC(F)(F)F)c1 770437011 PRSAOUJXVFEUAH-UHFFFAOYSA-N 439.390 4.004 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCc3ccc([C@@H](C)O)c(C)n3)cc2[N+](=O)[O-])n1 770535530 KXJWWLSAHHQLJN-CYBMUJFWSA-N 444.538 4.198 5 20 IIBD O=C(Cc1cc(Br)ccc1F)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 771363122 XAZYNSSLCOFPQO-UHFFFAOYSA-N 435.205 4.437 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cn1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 772862183 TWNHOWHTJDVDCD-SNVBAGLBSA-N 431.455 4.141 5 20 IIBD C[C@@H](NC(=O)Nc1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2)c1cccc([N+](=O)[O-])c1 774122718 NYUJZWQBWGSLDD-CQSZACIVSA-N 441.488 4.166 5 20 IIBD COCc1nc(C(=O)O[C@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])cs1 774373609 ODXMNSRJXGOGMM-CQSZACIVSA-N 429.292 4.005 5 20 IIBD O=C(O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1ccc(CN2CCCCC2=O)cc1 776136639 WKGOKMBIQUNZJY-DEOSSOPVSA-N 445.475 4.449 5 20 IIBD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nn1-c1ccccc1Cl 776437030 YQXCVPRNTBBMPM-GFCCVEGCSA-N 446.822 4.065 5 20 IIBD O=[N+]([O-])c1ccc2oc(=S)n(CN3CCC(n4ccc(C(F)(F)F)n4)CC3)c2c1 778576460 HAYWIZWSUYATMY-UHFFFAOYSA-N 427.408 4.382 5 20 IIBD C[C@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](O)c1c(F)cccc1Cl 779384778 NTMOIWJXEMGXSA-DYZYQPBXSA-N 430.263 4.005 5 20 IIBD O=C(O[C@H](CSc1nc[nH]n1)c1ccccc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 781516516 SGFUFHDCAOUHIF-OAQYLSRUSA-N 442.500 4.490 5 20 IIBD Cc1cccc(NC(=O)[C@H](OC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(C)C)c1C 781736969 KLGIHKOQVFYIRS-OAQYLSRUSA-N 443.456 4.259 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 783032942 OXCUIHIKUKBQHI-IAGOWNOFSA-N 432.521 4.105 5 20 IIBD COc1ccc(-c2noc([C@@H](C)OC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)n2)cc1 784585033 IDBJOSJFWZSPHU-SNVBAGLBSA-N 435.339 4.173 5 20 IIBD Cc1cc(Cl)ccc1NC(=O)[C@H](C)OC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 786784670 HTJSJKLRNCLJNL-ZDUSSCGKSA-N 443.843 4.054 5 20 IIBD O=C(c1cc2ccccc2s1)N1CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 788380822 DHANKKHLTHNUOV-UHFFFAOYSA-N 447.520 4.089 5 20 IIBD COc1ccc(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(OC(F)F)c1 789238319 CVVDKAWIULSAIP-JTQLQIEISA-N 435.339 4.173 5 20 IIBD CC(C)(C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccc(OC(F)(F)F)cc1 789245559 QANBLZMSHJWPNF-UHFFFAOYSA-N 444.337 4.092 5 20 IIBD O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)c([N+](=O)[O-])c1 789952158 CNBUSCXCXPGSJL-UHFFFAOYSA-N 438.425 4.090 5 20 IIBD CCN(CCC1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1)CC1CC1 790912938 ZJRAHRXKSBRGRV-UHFFFAOYSA-N 425.932 4.290 5 20 IIBD C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C1 791320613 CALYPZCELJZXQH-HUUCEWRRSA-N 442.491 4.170 5 20 IIBD COc1cc(OC)c(OC)cc1CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)C 792873543 UIZZSKGZQXWLSQ-UHFFFAOYSA-N 433.461 4.330 5 20 IIBD CCC[C@H](NCc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1)c1cccc([N+](=O)[O-])c1 793570483 VAOMRBZEZMQWAQ-XUZZJYLKSA-N 436.512 4.451 5 20 IIBD Cc1cc(NCc2ccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)c(Cl)cc1[N+](=O)[O-] 804701125 PRVNHAWDOPZPME-NRFANRHFSA-N 428.876 4.394 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 807687952 DYXKTAFRQOSDCA-IXDOHACOSA-N 431.286 4.002 5 20 IIBD C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(N2CCCCC2=O)cc1 810129400 NARKBWITKULRII-CQSZACIVSA-N 430.892 4.054 5 20 IIBD Cc1c(C(=O)N(C)CCc2cccc(Br)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 812772677 NIBUYJQIDJWALE-UHFFFAOYSA-N 436.262 4.197 5 20 IIBD CC1=C(C(=O)OCC(C)C)[C@H](c2ccc([N+](=O)[O-])o2)NC(=O)N1CCc1cccs1 812957767 QSHSPTPOCHZGHN-SFHVURJKSA-N 433.486 4.032 5 20 IIBD COCCN(C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccc(OC)c(OC)c1 813024808 SJBITUGXOSIGAT-UHFFFAOYSA-N 429.256 4.212 5 20 IIBD C[C@@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1cccc(N2CCCC2)c1 815027161 YBPMAMMMBLEKNA-GFCCVEGCSA-N 427.885 4.027 5 20 IIBD O=[N+]([O-])c1c(Cl)cccc1OS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 815056143 FDKKGZDIVUEXNX-LLVKDONJSA-N 448.280 4.085 5 20 IIBD CCn1cc(C(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)c(=O)c2ccc(C)nc21 815171470 ZJVCBDUHICGLLN-UHFFFAOYSA-N 435.358 4.009 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O 815174247 ARAMXFWKTMCPBT-NJSLBKSFSA-N 432.473 4.120 5 20 IIBD Cc1ccc(CC2CCN(C(=O)c3cc([N+](=O)[O-])ncc3Br)CC2)cc1C 816785960 ZNTKRSNOXLCRSO-UHFFFAOYSA-N 432.318 4.464 5 20 IIBD CCOc1ccc(-c2nc(C)c(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 914908659 CVIOZSAKFFAMKT-UHFFFAOYSA-N 426.450 4.465 5 20 IIBD CNC(=O)c1cccc(OC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)c1 915156625 RAOIOCJPBMZONX-UHFFFAOYSA-N 439.855 4.439 5 20 IIBD COc1ccc(N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1NC(=O)OC(C)(C)C 915224311 NKFQMXPAUQLMKU-ZDUSSCGKSA-N 430.461 4.390 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CCC(C3CCCCC3)CC2)cc1[N+](=O)[O-] 916439140 FWRJTMYKMWGURK-UHFFFAOYSA-N 429.546 4.307 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1OC(=O)CCC(=O)c1ccc(I)cc1 917048906 JTVXDASZCQJOLK-UHFFFAOYSA-N 439.205 4.076 5 20 IIBD C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 917306390 OILYRICDIJUUCD-SNVBAGLBSA-N 438.223 4.462 5 20 IIBD Cc1c(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 917778715 IXUJSLWRVJYPOC-ZDUSSCGKSA-N 426.429 4.078 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1c[nH]c2ccc(Br)cc12 919024412 YWFWCOREGQNPQO-UHFFFAOYSA-N 443.213 4.246 5 20 IIBD Cc1ccc([C@@H](NC(=O)COC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C2CC2)cc1 920779002 XWJBGBAAXMEGRA-SPLOXXLWSA-N 446.887 4.135 5 20 IIBD Cc1cc(C(=O)NC2CCN(Cc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)CC2)no1 1116440187 AAHAVQCOTALYMN-UHFFFAOYSA-N 444.875 4.199 5 20 IIBD Cc1c(I)cccc1NC(=O)NCc1cccc([N+](=O)[O-])c1C 1338965630 BTCXCKDEUQNGMN-UHFFFAOYSA-N 425.226 4.138 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@H]3CCCCO3)CCC2)cc1)c1ccc([N+](=O)[O-])cc1F 1790621232 RRLAQVXYNDHFBB-HXUWFJFHSA-N 441.459 4.051 5 20 IIBD Cn1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(F)cc([N+](=O)[O-])c4)cc3)CCC2)c1 1790696543 HEZQWJDETLBKCT-UHFFFAOYSA-N 436.443 4.134 5 20 IIBD Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)C3)c(Cl)c1 1803623291 ZZNURTOAXYUEQL-PYNLGSQFSA-N 443.887 4.115 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1)c1sccc1Cl 1819954826 RIZXZZXMZKXFCI-GFCCVEGCSA-N 449.876 4.246 5 20 IIBD CC(C)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cc(F)ccc2[N+](=O)[O-])[nH]n1 1821934512 RQXSRMWJPSWCNI-IBGZPJMESA-N 445.495 4.128 5 20 IIBD CC/C=C(\C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 1832520811 YPPFFEFXFWKSAO-PIMOAMBUSA-N 445.535 4.252 5 20 IIBD Cc1ccc(CC(=O)N2CC3(CCCN3C(=O)CC3CCC(C)(C)CC3)C2)cc1[N+](=O)[O-] 1845258422 JUTBSWGUNDTBFK-UHFFFAOYSA-N 441.572 4.256 5 20 IIBD Cc1cc(F)ccc1C(=O)N1CC2(CCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)C1 1845500407 YFKPISCPVWOPMW-UHFFFAOYSA-N 445.878 4.135 5 20 IIBD O=C(COC(=O)COc1ccccc1-c1ccccc1)Nc1cc(Cl)ccc1[N+](=O)[O-] 10593488 APXXSVYPVXZBQL-UHFFFAOYSA-N 440.839 4.476 5 20 IIBD Cc1ccc(Cl)cc1NC(=O)COC(=O)Cn1c2ccccc2c(=O)c2ccccc21 11275774 VRTVSSKDVATOLU-UHFFFAOYSA-N 434.879 4.298 5 20 IIBD C[C@@H](Sc1nncn1-c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 11427493 DXVSDJCTXVGRLJ-LLVKDONJSA-N 437.403 4.314 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(Br)c1 15655171 OAVRGWOOYIWXSW-BCRSCGJKSA-N 433.258 4.249 5 20 IIBD C[C@@H](OC(=O)[C@@H]1COc2ccc(Cl)cc2C1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 16796660 GVFVZFPKLOUKKW-PWSUYJOCSA-N 439.251 4.023 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2oc3ccccc3c2CSC)c([N+](=O)[O-])c1 16870849 CVZYQHLSMHVMBC-GFCCVEGCSA-N 444.465 4.397 5 20 IIBD CSc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2OC(F)F)cc1[N+](=O)[O-] 16913390 VUDYDFAUYLRODU-JTQLQIEISA-N 426.397 4.102 5 20 IIBD Cc1csc(Sc2ccc(C(=O)O[C@@H](C)C(=O)N3CCC(C)CC3)cc2[N+](=O)[O-])n1 22089238 KUUKKCDLEZHSKY-AWEZNQCLSA-N 449.554 4.315 5 20 IIBD CSc1cccc(NC(=O)[C@H](C)OC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 24184328 QUJSPENKTGCVNF-HNNXBMFYSA-N 443.525 4.104 5 20 IIBD COc1cc([C@H](C)NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)ccc1OCC(C)C 25869640 BSLCPONGAAXTEE-INIZCTEOSA-N 438.484 4.315 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nnc(-c2ccco2)n1CC(C)C 26343287 IGFMRMXJGQHOBG-UHFFFAOYSA-N 445.501 4.232 5 20 IIBD CCn1c2ccccc2c2cc(NC(=O)[C@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 27008159 KIGHFHXAPVEICP-HNNXBMFYSA-N 430.464 4.480 5 20 IIBD O=C(c1cc(-c2ccco2)nn1-c1ccccc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 31295285 NUYBIIYKUFIISR-UHFFFAOYSA-N 443.463 4.003 5 20 IIBD O=C(c1cc(-c2ccccc2)on1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 45568481 ZIMQBYZUHCLFBN-UHFFFAOYSA-N 446.385 4.231 5 20 IIBD COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1cc2ccccc2c2cccnc12 58190062 JDBWIDMMJUJJIL-UHFFFAOYSA-N 447.516 4.090 5 20 IIBD COc1ccc(N(C)C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)cn1 58270359 YGPQWVLWFHHIEC-UHFFFAOYSA-N 437.477 4.228 5 20 IIBD O=C(CN(Cc1ccccc1F)C(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1F 58493780 PJXGBQZLGGETOO-UHFFFAOYSA-N 425.391 4.154 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCCN(C)Cc2ccccc2)cc1[N+](=O)[O-])c1ccccn1 65418356 QJNLZGIPSNCJRY-GOSISDBHSA-N 433.512 4.025 5 20 IIBD C[C@H](OC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 104939162 HWCSLGJPAHALNE-IFXJQAMLSA-N 439.424 4.121 5 20 IIBD O=C(c1ccccc1C(F)(F)F)N1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 108084905 MVEJWVRPPNGPDX-UHFFFAOYSA-N 430.386 4.124 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCc1ccccc1Oc1cccnc1 109874816 VAJIIEUNPAJNRT-UHFFFAOYSA-N 449.419 4.214 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCC[C@H](C2OCCO2)C1 110378399 SBHCOPCCFHUBRQ-HNNXBMFYSA-N 432.860 4.266 5 20 IIBD CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 195612660 WPKARWZBRBRKIF-WMZOPIPTSA-N 435.267 4.042 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 219637159 ZXBBYAVVOYAFHK-UHFFFAOYSA-N 445.856 4.375 5 20 IIBD Cc1cc(C(=O)Nc2cccc(-n3ncc(C(=O)O)c3C(F)(F)F)c2)ccc1[N+](=O)[O-] 237893789 AULFDCJYYZNABJ-UHFFFAOYSA-N 434.330 4.058 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H](c3ccc(F)cc3)N3CCOCC3)cs2)c1 237903505 GKOUGXJUALBHGN-NRFANRHFSA-N 442.516 4.021 5 20 IIBD COc1cc(N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)ccc1[N+](=O)[O-] 301407235 MMRFGMUVUXTXRR-UHFFFAOYSA-N 434.290 4.221 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)Sc2ccc(Br)cc2)c1 303337857 CPHLLEHNMJBOIL-LLVKDONJSA-N 425.304 4.277 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 303359662 HIYSPUFXTBNNMF-VGOFRKELSA-N 449.532 4.442 5 20 IIBD COc1ccc(CNC[C@H]2CC[C@H](C(=O)O)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 426681944 CZLYRYHZLBLWCT-RUCARUNLSA-N 428.485 4.163 5 20 IIBD O=C(O)[C@H](Cc1ccccc1)NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 426690850 CXSYEWVGITVJOG-QHCPKHFHSA-N 442.475 4.233 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1cccc(C(=O)c2ccccc2)c1 428012794 VKMOIADPVXHJTM-UHFFFAOYSA-N 427.416 4.392 5 20 IIBD C[C@H](NC(=O)CNC(C)(C)c1ccccc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 429230764 MOMXMIIYNDHXFP-ZDUSSCGKSA-N 425.407 4.196 5 20 IIBD Cc1cc(=NCC2(N[C@H](C)c3ccccc3)CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 433787642 WRJTZBLNTSBITG-LJQANCHMSA-N 447.539 4.094 5 20 IIBD COCCN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)[C@H]1CCCSC1 435330809 WKLSRMYYYAIWBS-ZDUSSCGKSA-N 432.340 4.042 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2ccn(CC(=O)N(C)C)c2c1 438704262 QJCKFBWXYZUHKA-UHFFFAOYSA-N 437.500 4.080 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(OCc2ccccc2OC)CC1 439891131 CGWZQRJTURMUEB-UHFFFAOYSA-N 429.473 4.215 5 20 IIBD CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H]2CCCC[C@H]12 439989026 PPHPCWYCSPSMHK-WEAICFBNSA-N 444.576 4.026 5 20 IIBD O=[N+]([O-])c1cccc(N2CCN(Cc3ncc(-c4ccc(Br)cc4)o3)CC2)c1 441196165 LTGBUVAAKIHPBF-UHFFFAOYSA-N 443.301 4.335 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CC(OCCCOc2ccccc2)C1 444099578 SYFXKTDFNZPHBT-UHFFFAOYSA-N 446.478 4.131 5 20 IIBD CN(CC1(c2ccccc2)CC1)C(=O)c1ccc([N+](=O)[O-])cc1I 444376233 LYUHSQKGUJFMFC-UHFFFAOYSA-N 436.249 4.003 5 20 IIBD COc1ccc(CNC(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cc1[N+](=O)[O-] 446352106 QHLAERVAVZTUKB-OAHLLOKOSA-N 435.761 4.499 5 20 IIBD Cc1ccc(NCCCNC(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)c([N+](=O)[O-])c1 460361998 LPYRCCPNFNVDAE-UHFFFAOYSA-N 430.480 4.259 5 20 IIBD Cc1cccc(-c2nnc(N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)n2C[C@@H]2CCCCO2)n1 461839530 KKOCZNBWCGQWBN-NRFANRHFSA-N 448.527 4.295 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)cc1 462572921 OFFWONCNPWBGFJ-UHFFFAOYSA-N 431.297 4.134 5 20 IIBD O=C(CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cc(Cl)ccc1Cl 463453710 SWDTZPOOKQKRMN-UHFFFAOYSA-N 436.173 4.289 5 20 IIBD O=C(NC[C@@H](c1ccccc1)N1CCc2sccc2C1)c1ccc(F)cc1[N+](=O)[O-] 466441304 NGNZIXSMPGQPBK-FQEVSTJZSA-N 425.485 4.325 5 20 IIBD CCC1(CC)Oc2ccc(NC(=O)C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)cc2O1 471044186 KTXZKWGVVGWVLA-AWEZNQCLSA-N 427.457 4.007 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCc3c(C)c4ccccc4n3C)cc2)c(C)c1[N+](=O)[O-] 471234406 NTJJMEXFCRZOLN-UHFFFAOYSA-N 431.496 4.187 5 20 IIBD O=C(NCCn1cc([N+](=O)[O-])cn1)Nc1cccnc1Oc1ccc(Cl)cc1Cl 471362285 MWZSJWAJTSVKOB-UHFFFAOYSA-N 437.243 4.107 5 20 IIBD O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1cc2cc([N+](=O)[O-])ccc2o1 475076783 CPLMALAAKVVWML-CQSZACIVSA-N 434.235 4.183 5 20 IIBD CCOc1cc(CN2CCCC3(CCC3)C2)ccc1OCCn1c([N+](=O)[O-])cnc1C 475283396 WBIXFNKLEAZZHR-UHFFFAOYSA-N 428.533 4.344 5 20 IIBD Cc1c(CS(=O)(=O)CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)cccc1[N+](=O)[O-] 476640837 XAOWQXDKMHIHTO-QFIPXVFZSA-N 448.516 4.005 5 20 IIBD CC(C)c1ccc2c(c1)[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)CCC2 477716127 NWGYHMWEEODDMZ-QGZVFWFLSA-N 447.438 4.452 5 20 IIBD Cn1cc(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 477991835 MBAKIEZTVHQYAG-TZMCWYRMSA-N 447.314 4.105 5 20 IIBD COc1c(F)cc(S(=O)(=O)Nc2cnn(-c3ccc(C)cc3)c2C(C)C)cc1[N+](=O)[O-] 480233866 QWAHXNGBROZAHC-UHFFFAOYSA-N 448.476 4.161 5 20 IIBD C[C@H](NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)c1nc[nH]n1 483122994 ZJUISUGULFCNIA-OJNRTJSBSA-N 434.481 4.131 5 20 IIBD Cc1ccc(-c2csc(NC(=O)C3CCC(NC(=O)C4CC4)CC3)n2)cc1[N+](=O)[O-] 483132512 FIGSJPXWBGIVTL-UHFFFAOYSA-N 428.514 4.050 5 20 IIBD CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)Cc1ccc(Cl)cc1Cl 483226234 RZCADHVLDKJKIA-CQSZACIVSA-N 438.311 4.471 5 20 IIBD O=C(Nc1cccc(Cl)c1Br)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 485234068 ISPILXYFMZNHCI-UHFFFAOYSA-N 439.697 4.365 5 20 IIBD O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1cccnc1OCc1ccccc1F 485511342 BFDKEUQGXZVYTL-UHFFFAOYSA-N 433.399 4.146 5 20 IIBD CN(CCc1ccc(Br)cc1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 485705745 FIWLAFNVULFERL-UHFFFAOYSA-N 429.217 4.273 5 20 IIBD COc1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1NC(C)=O 485776444 OKNIMKKOVTULII-UHFFFAOYSA-N 435.436 4.393 5 20 IIBD Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)c1 486109703 YNBCVHCISMIONW-MRXNPFEDSA-N 449.511 4.143 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)CSc2nncn2-c2cccc(Cl)c2)cc1[N+](=O)[O-] 488009186 MXLDRRDVMBUYPQ-CYBMUJFWSA-N 431.905 4.107 5 20 IIBD Cc1cc(Br)cc(Cl)c1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 488556499 QXGLCDOPWLHNRJ-UHFFFAOYSA-N 440.681 4.078 5 20 IIBD CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccc([N+](=O)[O-])cc1 489414991 PMAWLZMYSDOOGI-UHFFFAOYSA-N 435.868 4.397 5 20 IIBD COC(=O)c1cc(NC(=O)c2cnc(Cc3ccccc3F)s2)c(C)c([N+](=O)[O-])c1 489763980 VUMTXBQRIPLGPI-UHFFFAOYSA-N 429.429 4.129 5 20 IIBD CCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)[C@H](c1cccnc1)c1ccc(F)c(C)c1 497899738 QBLTZXNITAGBKI-QHCPKHFHSA-N 439.491 4.279 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 498492107 YFFQGTGKXAPFNY-INIZCTEOSA-N 427.791 4.455 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 498844888 ANZOUALNYGCVCR-HXUWFJFHSA-N 447.438 4.010 5 20 IIBD Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ncc(Cc2cccc(Br)c2)s1 499931194 PDHQPQRMQZTJFN-UHFFFAOYSA-N 433.287 4.239 5 20 IIBD Cc1cc(C(=O)N2CCOC[C@@H]2c2c(C)nn(-c3ccccc3F)c2C)ccc1[N+](=O)[O-] 501173308 ZBFBHAXCQJZOFB-OAQYLSRUSA-N 438.459 4.059 5 20 IIBD O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCCC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)c1 502768619 CODOXBNFSDRVJB-DENIHFKCSA-N 440.475 4.091 5 20 IIBD CCCC[C@@H](NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccc(OC)cc1 503781328 SGSKAVSSDRBQPA-JOCHJYFZSA-N 426.517 4.367 5 20 IIBD CCOc1ccc([C@@H](C)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)cc1[N+](=O)[O-] 504893204 CXFNGXKTYIDWAS-IAGOWNOFSA-N 430.524 4.296 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 510572180 KGBRCPYAANEJLH-UHFFFAOYSA-N 435.362 4.335 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(Cc1ccco1)C[C@@H]1CCCO1 511611316 QXRKDZDZHGKMBB-INIZCTEOSA-N 441.406 4.216 5 20 IIBD NC(=O)CC[C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 512663012 FATLZQQAZLSXDR-CYBMUJFWSA-N 436.306 4.095 5 20 IIBD Cc1ccc(Cc2nc(C(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCCO4)cs2)cc1 512935392 FHRBGOJVUBLKFZ-UHFFFAOYSA-N 425.466 4.364 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2CCO[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 513112768 FHASUTSTMYYLCM-HSZRJFAPSA-N 446.459 4.190 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O 513613010 ABDCRVATCFRNCJ-VQIMIIECSA-N 427.476 4.141 5 20 IIBD C[C@H](NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(Oc2cccnc2)cc1 514175321 XWHNCEDQTLSEST-SFHVURJKSA-N 447.495 4.375 5 20 IIBD O=C(NCc1ccc(OCc2ccccc2)cc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 514810446 JOXAMHCMOMLKDF-UHFFFAOYSA-N 428.448 4.290 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)Cc3ccc4c(c3)OCCO4)cc2[N+](=O)[O-])C1 515321416 VUYHTTUMAANBOF-IRXDYDNUSA-N 439.512 4.121 5 20 IIBD CC(=O)N[C@@H](Cc1nc(-c2ccc([N+](=O)[O-])cc2C)no1)c1ccc(Br)cc1 517002772 WKXFCFRXXBHDKE-KRWDZBQOSA-N 445.273 4.136 5 20 IIBD Cc1ccc(OCc2nc(CSCc3ccc(C(N)=O)cc3[N+](=O)[O-])cs2)cc1 517937430 GCCZUMMONCKNIL-UHFFFAOYSA-N 429.523 4.471 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCc1cc(Br)ccc1F 518927216 YCSFUTIVNHSTLB-JTQLQIEISA-N 445.672 4.276 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 520052167 DEISLLYAIMQJHA-SJORKVTESA-N 425.363 4.377 5 20 IIBD C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)C(=O)N(C)Cc3ccccc3[N+](=O)[O-])c2)C1 521118924 FCHPMGHVWWPMPD-LAUBAEHRSA-N 439.512 4.287 5 20 IIBD Cc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)s1 521631005 IXESCTKNKCEMKG-HNNXBMFYSA-N 427.530 4.363 5 20 IIBD CCCc1noc2nc(C3CC3)cc(C(=O)Nc3ccnn3-c3ccc([N+](=O)[O-])cc3)c12 521869021 BUDZIQFBGYDFQL-UHFFFAOYSA-N 432.440 4.399 5 20 IIBD COc1cc(CCNC(=O)N2C[C@H](c3ccccc3C)C[C@H]2C)c([N+](=O)[O-])cc1OC 523470479 GBJQHGCNVMDMCC-SJLPKXTDSA-N 427.501 4.051 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 524837934 NJAQEZSKJWXTPY-QFIPXVFZSA-N 429.492 4.447 5 20 IIBD O=C(N[C@H](Cc1ccccc1)c1ccccc1F)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 524850081 PZIFJEXRBHCKFC-OAQYLSRUSA-N 431.427 4.028 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCCc1ccc(Br)s1 525354752 NSYUKNHQKIFLPZ-UHFFFAOYSA-N 426.336 4.283 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCC[C@H](c3nc(N(C)C)no3)C2)cc1[N+](=O)[O-] 527276155 GLJXVVAYEWPGSD-INIZCTEOSA-N 447.561 4.202 5 20 IIBD O=[N+]([O-])c1cccc(Br)c1OCc1nnc(-c2ccc(Br)o2)o1 533202276 GNMKSWGTTUNLNL-UHFFFAOYSA-N 445.023 4.342 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 536686743 VLHVIKZUHLVCAK-UHFFFAOYSA-N 436.512 4.059 5 20 IIBD COc1cc([C@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC1CCCC1 541324726 XBTKSGIJKOHMSC-INIZCTEOSA-N 448.541 4.049 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cccc(CN(C)Cc3cscn3)c2)c1 541787101 LOCWVCRMSSYNSY-UHFFFAOYSA-N 446.554 4.101 5 20 IIBD Cc1cncnc1-c1noc(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n1 544989897 RXTMCCSCRPFHAC-UHFFFAOYSA-N 439.435 4.187 5 20 IIBD O=C(c1ccc(F)cc1)N1CCC[C@@H](c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)C1 545852728 JZPXGXGTRLTHHB-OAHLLOKOSA-N 449.442 4.209 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)c1 546112807 VJCJDASPVYGUOJ-UHFFFAOYSA-N 435.274 4.050 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3cccc4nc(O)[nH]c34)cc2[N+](=O)[O-])n1 552125857 OXGIIVNMYIBVGW-UHFFFAOYSA-N 427.467 4.345 5 20 IIBD COCCC[C@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1ccc(Cl)cc1 553607919 RQMAWLXWRYBXSV-OAHLLOKOSA-N 426.922 4.274 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 553770505 KEJDQWIRHBSRBE-DZGCQCFKSA-N 438.958 4.368 5 20 IIBD Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)N2CCCC2)o1 555799200 RXVOJQNMOYXVET-QGZVFWFLSA-N 436.306 4.134 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H]1C(=O)Nc2ccc(F)cc21 556805995 HUTDHVYTMZCMDN-OAHLLOKOSA-N 431.489 4.338 5 20 IIBD COc1cc(C(=O)N2CC[C@@H](Oc3ccc(Cl)cc3)C2)c([N+](=O)[O-])cc1OC(F)F 557900968 FLAXIUKYCQCXCE-CYBMUJFWSA-N 442.802 4.152 5 20 IIBD O=C(NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)c1cc(Cl)cc([N+](=O)[O-])c1 562172057 OQBWYIUVGQDSSS-UHFFFAOYSA-N 440.765 4.333 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC(C)(CC(C)C)CC1 564537015 MDALHUWISRPWGX-LJQANCHMSA-N 435.590 4.121 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)c1 570883737 WLFGDJOKTJRXAX-KRWDZBQOSA-N 442.415 4.429 5 20 IIBD COc1cc(C)c(Br)cc1-c1nc(Cc2ccc([N+](=O)[O-])c(OC)c2)no1 577090217 KUHBSIFGYBXHJI-UHFFFAOYSA-N 434.246 4.324 5 20 IIBD CC[C@@](C)(NC(=O)c1ccccc1)c1noc(-c2ccc([N+](=O)[O-])cc2Br)n1 584140132 SZIOWNHWJGVDRR-LJQANCHMSA-N 445.273 4.463 5 20 IIBD C[C@H](C(=O)N1CCCN(C(=O)Nc2cccc(Cl)c2)CC1)c1cccc([N+](=O)[O-])c1 584269000 CZTPHMZBULSXJU-HNNXBMFYSA-N 430.892 4.118 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)cc1[N+](=O)[O-] 590526254 BKFUZKIXAQVMTK-NSHDSACASA-N 444.966 4.046 5 20 IIBD Cc1ccc(N(Cc2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 595950029 IQVUQDSVDBTVDM-UHFFFAOYSA-N 440.477 4.070 5 20 IIBD O=c1n(Cc2cccc(NCc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)nc2ccccn12 600854376 MMOIPTGULIMJMU-UHFFFAOYSA-N 443.385 4.083 5 20 IIBD CCCCN(C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)[C@@H](C)c1ccc(C)o1 603531395 JTUVCEVUVIUBAR-KRWDZBQOSA-N 438.484 4.354 5 20 IIBD Cc1c(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cnn1-c1ccc(Br)cc1 603568971 JDNAAYCIVUKBRM-UHFFFAOYSA-N 429.274 4.124 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(OCC(=O)N[C@H](c2ccccc2)C2CCCCC2)c1 603913709 QAXSXNNRZFKGBP-JOCHJYFZSA-N 426.469 4.198 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 608880039 PDYKYQZHWFYLGY-LIRRHRJNSA-N 449.429 4.486 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCc1nc(-c2ccncc2)cs1 609027590 JHUQNZZIOQCRCC-AWEZNQCLSA-N 428.539 4.343 5 20 IIBD CCn1cnnc1-c1ccccc1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 609164196 JAKYJIQOGFYWEN-UHFFFAOYSA-N 448.405 4.333 5 20 IIBD Cc1cccc(Oc2ccc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)cn2)c1C 609652262 HSDKSGRPUVFMEN-UHFFFAOYSA-N 434.452 4.158 5 20 IIBD COc1ccc(-c2nc(C)c([C@@H](C)NS(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)s2)cc1 609674365 VOTWWOMUQVMHJM-CQSZACIVSA-N 447.538 4.383 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCN(c3ccc(F)cc3C)C2)cc1SC 609757560 JTEDBHUFZSCADD-HNNXBMFYSA-N 433.505 4.172 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CCS[C@@H](c4ccccc4)C3)cc2)c(C)c1[N+](=O)[O-] 609789991 SLUBWZCVZDTQEZ-OAQYLSRUSA-N 436.537 4.387 5 20 IIBD COC(=O)c1cc(NC(=O)CCSc2ccc(Br)cc2)cc([N+](=O)[O-])c1 609838689 FWJADLDSXCBIDE-UHFFFAOYSA-N 439.287 4.265 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CC[C@H](CN4CCCC4)C3)cc2[N+](=O)[O-])n1 610067982 HQYJCNQRYVEWMB-OAHLLOKOSA-N 432.571 4.069 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCc3sc(Br)cc3C2)cc1OC 610934123 LSYJHRCLKJIUAT-UHFFFAOYSA-N 441.303 4.025 5 20 IIBD O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 610963853 XSFFJSQIMWLWHI-HNNXBMFYSA-N 430.455 4.074 5 20 IIBD O=C(NC1CCN(c2ncccn2)CC1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 612458791 BTUILGZIDFVMTB-UHFFFAOYSA-N 441.557 4.066 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1OC 619564905 GJNNJHWTPKNMFK-UHFFFAOYSA-N 447.444 4.144 5 20 IIBD CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@]2(CCc3ccccc32)C1 619848317 IKIOJLUUWOATSN-XMMPIXPASA-N 433.512 4.188 5 20 IIBD COc1ccc(-c2nc(COC(=O)c3ccc([N+](=O)[O-])c(OC)c3)cs2)cc1OC 725945689 OTBVVABRONNHNP-UHFFFAOYSA-N 430.438 4.101 5 20 IIBD CC(C)C[C@@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccccc1 725984662 LPQCBNNJRIBOBF-GOSISDBHSA-N 449.301 4.418 5 20 IIBD CCCN(Cc1c(F)cccc1Cl)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O 726590216 TVLUCXPNPXEWKE-UHFFFAOYSA-N 434.855 4.026 5 20 IIBD COc1ccc(CCN(Cc2ccccc2)S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 727171227 DNIYQTQNAOBDSK-UHFFFAOYSA-N 444.484 4.176 5 20 IIBD C[C@H](OC(=O)Cc1cccc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 727876925 FYEZJPJWCWZGJT-JTQLQIEISA-N 430.766 4.380 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 730378513 MXKMNJDTWMWQMN-LBPRGKRZSA-N 426.901 4.405 5 20 IIBD O=C(OCc1ccccc1C(F)(F)F)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 732497153 HZLZXCDXICFUCF-ZDUSSCGKSA-N 428.388 4.023 5 20 IIBD COc1cccc(CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c1OC1CCCC1 733234204 POKSJNWBRBIUGE-UHFFFAOYSA-N 429.429 4.071 5 20 IIBD COc1cccc(Oc2ncccc2CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)c1 741243828 ABGSNSHHIOAYDA-UHFFFAOYSA-N 434.452 4.295 5 20 IIBD CC[C@](C)(NC(=O)c1ccc(I)c([N+](=O)[O-])c1)c1nc(C)cs1 741617320 YCLYQMOSTZBTDQ-HNNXBMFYSA-N 445.282 4.020 5 20 IIBD O=C(NC1CCCCC1)C1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 744170921 UNADDIPZFKJIQF-UHFFFAOYSA-N 444.410 4.187 5 20 IIBD C[C@@H](OC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 744741084 FRQZFQBMYDJSRJ-LLVKDONJSA-N 449.250 4.271 5 20 IIBD C[C@@H](OC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)N(C)C 745962122 MKIRGPMXVKLJOV-LLVKDONJSA-N 442.415 4.398 5 20 IIBD C[C@@H](OC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1nc(-c2ccc(Cl)cc2)no1 746063953 ACXWYPYMWIVWDV-GFCCVEGCSA-N 439.815 4.402 5 20 IIBD COc1ccccc1Nc1nc2sc(C(=O)OCCn3ccc([N+](=O)[O-])n3)cc2s1 748111448 IWRJITOBCJLQDA-UHFFFAOYSA-N 445.482 4.072 5 20 IIBD O=C(Nc1ccc(OCC(F)F)cc1)c1cc([N+](=O)[O-])ccc1I 748434822 BTPIJOVFTOUKIU-UHFFFAOYSA-N 448.163 4.096 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CCC[C@@H](OCC(F)(F)F)C1 750841369 CLTZYNPTIZSPLM-SECBINFHSA-N 445.619 4.194 5 20 IIBD Cc1nc(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)nc2ccccc12 750865329 SVPDGSNPRVBFMU-UHFFFAOYSA-N 435.665 4.192 5 20 IIBD CCOc1ccccc1NC(=O)[C@H](C)OC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 751634536 LDWPPKHIBPOVBI-LBPRGKRZSA-N 438.889 4.309 5 20 IIBD CC(C)(C)OC(=O)N(CC1CC1)C1CCN(c2ncnc3cccc([N+](=O)[O-])c23)CC1 754048849 ABGMJURGAPQYRC-UHFFFAOYSA-N 427.505 4.154 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NCC1(c2ccc(Cl)cc2)CCOCC1 756931583 NAVXBGDNUGVUKN-UHFFFAOYSA-N 438.311 4.449 5 20 IIBD CN(C[C@@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1)C(=O)OC(C)(C)C 757254209 ANSSZCDDSFLEBB-AWEZNQCLSA-N 440.928 4.037 5 20 IIBD Cc1c(C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cnn1-c1ccc(F)cc1F 760490115 GZKGZHQXGCFJIE-UHFFFAOYSA-N 440.362 4.379 5 20 IIBD C[C@H](OC(=O)COc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 763488887 QROVFXJETRFUSP-JTQLQIEISA-N 446.765 4.216 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1csc(-c2ccc(C(N)=O)cc2)n1 763810357 KJUILKWTKZXNMR-UHFFFAOYSA-N 443.506 4.286 5 20 IIBD C[C@H](OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1nc2ccccc2n1C(F)F 763853922 IPIZHSPPHVUNAI-LBPRGKRZSA-N 427.367 4.443 5 20 IIBD C[C@@H](CC(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 764057653 PQIAFSRLDSAUQC-LSDHHAIUSA-N 447.488 4.453 5 20 IIBD CCOc1cc(NC(=O)N[C@H](C)C[C@H](O)c2ccc(F)cc2)c([N+](=O)[O-])cc1OCC 765871953 TWINAZMVTISCKF-ACJLOTCBSA-N 435.452 4.165 5 20 IIBD C[C@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@@H]1NC(=O)OC(C)(C)C 769422998 LEHFVVFBEHSVEG-KSSFIOAISA-N 432.546 4.453 5 20 IIBD O=[N+]([O-])c1cccc(-c2ccc(CN3CCn4c(CCc5ccccc5)nnc4C3)o2)c1 769490530 WLXTVHYKCDTETE-UHFFFAOYSA-N 429.480 4.247 5 20 IIBD CN(CCC1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1)C(=O)OC(C)(C)C 770227472 NHGLOMSMOINPAA-UHFFFAOYSA-N 430.505 4.185 5 20 IIBD O=C(O[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1ccc([N+](=O)[O-])cc1Cl 770313389 NFAHUSXEQOKJPK-HNNXBMFYSA-N 428.750 4.229 5 20 IIBD Cc1c(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 772237328 PDAFFXBDAHIHFW-JTQLQIEISA-N 444.391 4.307 5 20 IIBD O=C(Cn1cc(C(=O)OCc2nc3ccccc3c3ccccc23)cn1)NC1CCCC1 772343947 FBWVBSKFWXEFGS-UHFFFAOYSA-N 428.492 4.000 5 20 IIBD O=C(COCc1nc2ccccc2s1)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776140422 XDSFYEVFVSDSBA-QFIPXVFZSA-N 435.461 4.449 5 20 IIBD CSc1cccc(C(=O)OCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1[N+](=O)[O-] 777073269 DTEJGYPVCHOXBY-UHFFFAOYSA-N 446.815 4.367 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1 777933672 UEQAHZGAJHHCSE-LJAQVGFWSA-N 448.497 4.151 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 778720675 WARNNPYGTHUFIJ-ZFWWWQNUSA-N 446.529 4.094 5 20 IIBD CC(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 779464963 DAFJFQPLHIANJP-UHFFFAOYSA-N 434.367 4.187 5 20 IIBD O=C(Nc1ccccc1)Nc1ccc(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cc1 781595117 MKANPNXAQZTQDQ-OAQYLSRUSA-N 445.435 4.371 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ncc(Cc2cc(F)cc(F)c2)s1 781598754 MJLSESCQURLJSM-UHFFFAOYSA-N 448.407 4.400 5 20 IIBD CCn1c([C@H]2CCCN2C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc2ccccc21 781641403 QYUWSZDZERSLTA-LJQANCHMSA-N 437.456 4.169 5 20 IIBD CCC1(COC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCN(Cc2ccccc2)CC1 783471855 SALZIZQMYYOIHK-UHFFFAOYSA-N 449.511 4.025 5 20 IIBD COCc1noc(CN2CCN(Cc3c4ccccc4c(Cl)c4ccccc34)CC2)n1 783703927 JBIOKJUWBBEBKH-UHFFFAOYSA-N 436.943 4.494 5 20 IIBD CCCCCCOC(=O)c1ccc(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 785846366 XZSUMQIQLSYHRZ-UHFFFAOYSA-N 443.504 4.397 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](OC(=O)[C@@H]1CC12CCOCC2)c1ccccc1 786452404 JFTAIRFICGPKAT-QFBILLFUSA-N 444.871 4.288 5 20 IIBD C[C@@H](OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)c1ccccc1C(F)(F)F 789035249 FGLKIJQFYFXUGX-GFCCVEGCSA-N 433.342 4.228 5 20 IIBD C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 789039294 VMFYULVJUUTUIO-KRWDZBQOSA-N 440.500 4.277 5 20 IIBD Cc1cnc(COC(=O)c2cc(-c3cccs3)nc3c2c(C)nn3C)c(C)c1[N+](=O)[O-] 789445463 UCQKVIBGDBXKCQ-UHFFFAOYSA-N 437.481 4.282 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@H](C)c2cc3ccccc3o2)c(C)c1[N+](=O)[O-] 790821844 AMBCYMAVCDSHFQ-CYBMUJFWSA-N 433.442 4.248 5 20 IIBD Cc1cc(OCC(=O)Nc2ccc3c(c2)CCN3C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] 797443748 GYBRADFBGWTQMA-UHFFFAOYSA-N 427.457 4.218 5 20 IIBD COc1ccc(COC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(C)cc2)cc1[N+](=O)[O-] 797513739 PWDCVANBMKIRSD-IBGZPJMESA-N 430.457 4.221 5 20 IIBD CCOC(=O)Nc1ccc2c(COC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1 798129060 NNUDYOXILUGWDL-YHYXMXQVSA-N 438.392 4.026 5 20 IIBD COCc1nc(C(=O)O[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)c(-c2ccccc2)s1 799624937 AEQYWOMTWJKXIX-GOSISDBHSA-N 439.493 4.300 5 20 IIBD CN(CC(F)(F)Br)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 807866475 HFIWRBVSJFKQFD-UHFFFAOYSA-N 428.233 4.267 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C(=O)Nc1cc(Cl)ccc1Cl 814484176 DLJRERZZXGDLNK-VIFPVBQESA-N 444.246 4.291 5 20 IIBD Cc1sc2nc([C@H](C)OC(=O)c3cc([N+](=O)[O-])c(N(C)C)cc3F)nc(O)c2c1C 814484477 ZQSQSROFEDWTHJ-VIFPVBQESA-N 434.449 4.045 5 20 IIBD C[C@H](OC(=O)Cc1c[nH]c2cccc(Cl)c12)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 814528233 VCUVDPXQPXAUMS-JTQLQIEISA-N 436.251 4.496 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC([C@H](O)c2ccc(F)cc2)CC1 815656610 BAIWGUDYBDUSQM-GOSISDBHSA-N 426.366 4.339 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 815719351 BSGZFRQRHWOREQ-UHFFFAOYSA-N 439.346 4.205 5 20 IIBD O=C(c1ccccc1[N+](=O)[O-])N1CCN(C(=O)c2sccc2-c2ccc(F)cc2)CC1 819207399 HAEIGQBXPFUUKA-UHFFFAOYSA-N 439.468 4.061 5 20 IIBD CCCC(=O)Nc1cccc(NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c1C 821163253 MFTCJJVUZRJTEJ-UHFFFAOYSA-N 429.857 4.235 5 20 IIBD O=C1CCC(=O)N1c1ccc(-c2nc(-c3ccsc3C(F)(F)F)no2)cc1[N+](=O)[O-] 904921657 CCTFDPKUABTSBM-UHFFFAOYSA-N 438.343 4.046 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)COc1cccc(NC(=O)c2ccco2)c1 914752781 FZGKMLMPNUUMIY-UHFFFAOYSA-N 443.843 4.131 5 20 IIBD O=C(Nc1ccccc1COCc1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 916399243 SUFHPZZYUXKOJR-UHFFFAOYSA-N 447.491 4.401 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 919927755 BUVDQTLIEYFDQE-UHFFFAOYSA-N 430.413 4.062 5 20 IIBD Cc1ccc(N2C(=O)/C(=C/c3cc4c(cc3[N+](=O)[O-])OCCO4)c3ccccc3C2=O)cc1 920397815 RVNCBHUUYXTUDA-UDWIEESQSA-N 442.427 4.402 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2cnc(-c3ccccc3F)s2)cccc1[N+](=O)[O-] 920698013 BUJHIPWVJZQVJQ-LBPRGKRZSA-N 429.429 4.350 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)c1 920705428 OUFXGVVEAJTETJ-SFHVURJKSA-N 448.475 4.378 5 20 IIBD Cc1c(C(=O)Oc2ccc3ccc(C(F)(F)F)nc3c2)nnn1-c1cccc([N+](=O)[O-])c1 920799255 NXVZYRFCCYOBSB-UHFFFAOYSA-N 443.341 4.270 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCc1ccc(-c2nc3ccccc3s2)o1 921266627 BCORCRGJWCQSFA-UHFFFAOYSA-N 427.413 4.299 5 20 IIBD COc1cc(CSCc2nncn2-c2ccccc2)c([N+](=O)[O-])cc1OCC(F)F 1116795425 HPEYXLRRWTWRMI-UHFFFAOYSA-N 436.440 4.261 5 20 IIBD Cc1ccc2[nH]c(C(=O)N(C)S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c(Cl)c2c1 1248718947 KBQFDYJYQGRZNJ-UHFFFAOYSA-N 442.280 4.152 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@@H](c3ccccc3)c3cnn(C)c3)cc2[N+](=O)[O-])CC1 1254637963 RCIJNQCORUDGFZ-QHCPKHFHSA-N 433.512 4.084 5 20 IIBD COc1c([N+](=O)[O-])cc(NC[C@@H](OC)c2ccc(F)cc2)c([N+](=O)[O-])c1Br 1319124952 PCFLXSVWPYPZEU-CYBMUJFWSA-N 444.213 4.213 5 20 IIBD COC(=O)CC(C)(C)N(C)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 1319400642 RDGZAHVZZFKHPE-UHFFFAOYSA-N 433.892 4.274 5 20 IIBD Cc1cc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nc(C)c1Br 1320422911 JHFKNJJUNUIOBM-UHFFFAOYSA-N 449.305 4.444 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1CC[C@@H]2OCCC[C@@H]2C1 1324060411 MAEQJBHLMJIDPH-CZAAIQMYSA-N 429.904 4.429 5 20 IIBD COc1cc(C(=O)N2CCCN3CCC[C@@H]3C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 1324875154 UGSRHJHUPQZFHS-QGZVFWFLSA-N 445.903 4.359 5 20 IIBD CCN(CC)C(=O)Nc1ccc([C@@H](C)NCCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 1353230604 DPFNPJYGVZOSMY-MRXNPFEDSA-N 427.505 4.148 5 20 IIBD Cc1cc[nH]c1C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])o3)cc2)CCC1 1786206572 SROACLBONKGMAL-VQHVLOKHSA-N 434.452 4.285 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccccc4O)cc3)CCC2)ncc1[N+](=O)[O-] 1787196148 BHSIJECQRPEIPF-UHFFFAOYSA-N 446.463 4.065 5 20 IIBD Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CCC[C@@H]2C)cc(Cl)cc1[N+](=O)[O-] 1797922594 OKMCEKVEDVIQDG-LKIBZCMFSA-N 433.936 4.245 5 20 IIBD O=C(CC1CCCC1)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)[nH]n1 1816689559 MVTLRYQNOSTBRM-IBGZPJMESA-N 443.479 4.343 5 20 IIBD O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1 1822015140 RXMUYHZRJCPNFB-JYYAWHABSA-N 441.488 4.043 5 20 IIBD O=C(Cc1cc([N+](=O)[O-])ccc1F)N1CCC([C@H]2CCCCN2C(=O)CC2CCC2)CC1 1832835535 XYSPFCNWUGPOML-JOCHJYFZSA-N 445.535 4.086 5 20 IIBD Cc1cc(Cl)ccc1C(=O)N1CC2(CCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)C1 1841806802 LHVUBFZQDJTSNB-UHFFFAOYSA-N 441.915 4.006 5 20 IIBD COc1ccc(CC(=O)O[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)cc1 10716455 BMUBOYRFPVECOT-QHCPKHFHSA-N 434.448 4.378 5 20 IIBD C[C@@H](Sc1n[nH]c(C(C)(C)C)n1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 12256317 ADHKFASFVKEIMY-SNVBAGLBSA-N 432.531 4.253 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc3c(c2)OCCCO3)c(-c2cccs2)c1 15359213 NCUPOGUFUNCDML-UHFFFAOYSA-N 433.463 4.252 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 16868149 RCCYTCWTYNURCD-VXGBXAGGSA-N 438.889 4.308 5 20 IIBD COc1ccc(C[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)c2ccc(OC)cc2)cc1 18110217 MFIBIUPMXIIUHQ-QHCPKHFHSA-N 436.464 4.091 5 20 IIBD COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)n2C)cc1 21463596 SRDDGPCBBIWAFO-LLVKDONJSA-N 447.904 4.172 5 20 IIBD COc1cc(C(=O)OCC(=O)c2ccn(C)c2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 23896640 BLDOXPJOTJGGIQ-UHFFFAOYSA-N 444.827 4.427 5 20 IIBD Cc1ccc(-n2cnnc2S[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1Cl 24304965 DOIFCKHZVLWEHL-LLVKDONJSA-N 435.868 4.396 5 20 IIBD COc1cc(CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)c([N+](=O)[O-])cc1OC(F)F 25022343 GBOITCPWQHRSJS-UHFFFAOYSA-N 431.779 4.398 5 20 IIBD COc1cccc(CN(C)C(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)c1 25494658 KBGYZFMOAANOTJ-UHFFFAOYSA-N 447.491 4.173 5 20 IIBD COc1ccc(Br)cc1CN(C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C 26225289 RJJLCQMVDAWKFY-UHFFFAOYSA-N 436.306 4.135 5 20 IIBD C[C@H](OC(=O)Cc1csc(-c2ccccc2Cl)n1)C(=O)Nc1cccc([N+](=O)[O-])c1 26674359 IWJZUANMBLPMJU-LBPRGKRZSA-N 445.884 4.485 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)c1cc(C)n(Cc2ccco2)c1C 27800267 UHPNQYSURDMSNH-OAHLLOKOSA-N 426.425 4.091 5 20 IIBD Cc1ccc(C)c(OCc2nnc(SCc3cc([N+](=O)[O-])cc4c3OCOC4)o2)c1 28809232 OWBKTURVUMMGFF-UHFFFAOYSA-N 429.454 4.332 5 20 IIBD COc1cc(C(=O)NCc2ccc(C)cc2C)c([N+](=O)[O-])cc1OCc1cscn1 108906131 ACJNBDHVWABCAC-UHFFFAOYSA-N 427.482 4.186 5 20 IIBD O=C(NC[C@@H](O)c1cccc(F)c1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 109241260 JWKMGXHSDJBZSB-OAQYLSRUSA-N 443.862 4.463 5 20 IIBD CCCN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1CCN(C(=O)c2ccccc2)CC1 110206117 YUECDBPXUQGWTJ-UHFFFAOYSA-N 448.523 4.093 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@H](C)c2oc3ccccc3c2C)ccc1[N+](=O)[O-] 110321477 PQKBGTPEVVIUEV-OXQOHEQNSA-N 435.480 4.440 5 20 IIBD CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 116243236 VAAXTOXYERXEKH-PKOBYXMFSA-N 438.528 4.495 5 20 IIBD C[C@@H](Cc1nnc(SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)o1)c1ccccc1 261431054 KCNAOXNSBSPRRP-AWEZNQCLSA-N 440.481 4.414 5 20 IIBD C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)c1ccc(S(=O)(=O)N(C)C)cc1 301892528 VSGPGNRUFMAFAX-OAHLLOKOSA-N 426.498 4.080 5 20 IIBD O=C(c1cc(N2CCO[C@H](c3ccc(F)cc3Cl)C2)ccc1[N+](=O)[O-])N1CCCC1 302444095 RRQJDCMRMFGBML-FQEVSTJZSA-N 433.867 4.201 5 20 IIBD COc1cc(CCNC(=O)c2ccc(-c3cccs3)nc2C)c([N+](=O)[O-])cc1OC 302874330 CZHXECJWKDRYDP-UHFFFAOYSA-N 427.482 4.016 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCC(C)(C)c2ccccc2Cl)ccc1[N+](=O)[O-] 303184147 LFCUVYJUUZLCSB-FQEVSTJZSA-N 443.931 4.255 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@@H](c2ccc(Cl)cc2)c2cnccn2)c1C 427282714 UPSSXPOMQYGDBO-FQEVSTJZSA-N 446.916 4.065 5 20 IIBD O=C(NCC[C@@H](c1ccccc1)C(F)(F)F)N1CCN(c2ccccc2[N+](=O)[O-])CC1 432476770 JDNWITGHXOAGLS-KRWDZBQOSA-N 436.434 4.163 5 20 IIBD Cc1nn(CCC(=O)N2CCc3ccccc3[C@@H](c3ccccc3)[C@@H]2C)c(C)c1[N+](=O)[O-] 435363701 VAQJCCMDNKXRHA-MHECFPHRSA-N 432.524 4.404 5 20 IIBD O=C(c1ccccc1O)N1CCC(N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 436944669 CAKTVZKYJYADNU-XMMPIXPASA-N 431.492 4.284 5 20 IIBD COc1ccc(-n2ccnc2SCC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 437481200 ZJJZYDCFEYTVJX-UHFFFAOYSA-N 438.509 4.072 5 20 IIBD CC[C@](C)(O)CN(Cc1ccccc1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 440024300 GQUOYXLCYCJAHS-DEOSSOPVSA-N 425.529 4.001 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCOc3c(Br)cccc32)cc1SC 441528948 ZXAAAPFNUBYRNZ-UHFFFAOYSA-N 439.287 4.127 5 20 IIBD CN1CC[C@H](NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)[C@H]1c1ccccc1 444284938 HPSPAOWTVBFXHA-NZQKXSOJSA-N 433.458 4.135 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CCC[S@](=O)c3ccc(Br)cc3)n2)s1 445475178 XPRUNQGGHRXDED-VWLOTQADSA-N 442.316 4.209 5 20 IIBD CC(C)(c1noc(CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)n1)c1ccccc1Cl 445682714 OJSYNWFIYFKJAU-UHFFFAOYSA-N 442.859 4.498 5 20 IIBD Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H](CO)Cc1ccccc1OC(F)(F)F 446236452 GMYNFWUNBCQXSA-GFCCVEGCSA-N 446.809 4.036 5 20 IIBD O=[N+]([O-])c1ccc2nc(CNCc3ccc(Br)c(Br)c3)[nH]c2c1 446830095 OJUQSOHVHYJYLP-UHFFFAOYSA-N 440.095 4.286 5 20 IIBD O=C(NC1CCOCC1)c1ccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 446887936 AMPCYAUBMBUOKC-UHFFFAOYSA-N 438.509 4.239 5 20 IIBD Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)Cn1cc([N+](=O)[O-])cn1 460662069 DIVFOHOCPCOXAX-UHFFFAOYSA-N 436.447 4.475 5 20 IIBD C[C@H](c1cccnc1)N(C)C(=O)c1cc(C(=O)N(C)[C@H](C)c2cccnc2)cc([N+](=O)[O-])c1 460672592 NWNCFQMVSFSGEM-IAGOWNOFSA-N 447.495 4.051 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[C@@H](CN4CCCCC4)C3)cc2[N+](=O)[O-])C1 461414862 ACCLAUHVWYKJFS-ZCNNSNEGSA-N 428.577 4.025 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(COC2CCOCC2)cc1 462621863 RAFPSVCFPYLEPL-OAQYLSRUSA-N 426.513 4.176 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCC[C@](CO)(Cc2ccccc2)C1 463656622 ROSSRRCIHWDXLH-FQEVSTJZSA-N 437.418 4.463 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1nnc(Cc2cccc(Cl)c2)s1 464326776 JWUSTYAJXHZJIR-UHFFFAOYSA-N 427.873 4.284 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 466962732 XYQNMEQXSSFHGZ-ZDUSSCGKSA-N 437.543 4.089 5 20 IIBD O=C(NCCc1cn2c(n1)SCC2)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 467346583 PPJWJLBVLHYDRZ-UHFFFAOYSA-N 425.470 4.054 5 20 IIBD Cc1ccc(NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])cc1Oc1ncccc1Br 468618878 MQZYMHABEBKJJF-UHFFFAOYSA-N 432.234 4.137 5 20 IIBD COc1ccc(-c2ccc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)nc2)cc1Cl 469886510 CYFUHDXXPUMZCL-UHFFFAOYSA-N 441.827 4.342 5 20 IIBD CCc1ccc(C(=O)Nc2cc(NC(=O)CN3CCCC[C@@H]3C)ccc2F)cc1[N+](=O)[O-] 471347164 RIAGRAFHAJJQOK-HNNXBMFYSA-N 442.491 4.362 5 20 IIBD Cc1c(I)cccc1C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 471928641 RZDVNRDRXNLNTL-UHFFFAOYSA-N 433.205 4.308 5 20 IIBD O=C(NCCc1ccccc1OC(F)F)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 472236329 AHHHGCDNWOOFHG-UHFFFAOYSA-N 434.317 4.110 5 20 IIBD CC1CCN(c2ccc(C(=O)N(C)[C@H](C)c3ccc([S@@](C)=O)cc3)cc2[N+](=O)[O-])CC1 473555648 VNUCITYLWSBNES-AUMHUTNHSA-N 443.569 4.402 5 20 IIBD C/C=C\C[C@H](CO)NC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 474054759 JMWFBCVXQYRSNU-PYLYLYNFSA-N 437.855 4.306 5 20 IIBD Cc1nc2ccc(Br)cn2c1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 474898246 GTDZOSZDPDAUEQ-UHFFFAOYSA-N 441.188 4.167 5 20 IIBD O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1ccc(Cl)cc1[N+](=O)[O-] 475089920 VXSSNZQYQQLQJM-CYBMUJFWSA-N 428.659 4.090 5 20 IIBD COc1cccc(N2CCC(C(=O)Nc3ccccc3Br)CC2)c1[N+](=O)[O-] 475428792 MBRQVFPDKOOZLI-UHFFFAOYSA-N 434.290 4.221 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@]4(CCCN(Cc5ccccc5)C4)C3)o2)cc1 475729628 OHZDQHYTIIFFTI-DEOSSOPVSA-N 433.512 4.133 5 20 IIBD COC(=O)c1cnc(NCc2ccc(-n3nc(C)cc3C)cc2C(F)(F)F)c([N+](=O)[O-])c1 478267683 NRLIXMKNCUTPHC-UHFFFAOYSA-N 449.389 4.210 5 20 IIBD O=c1c2ccccc2nc(SCCn2ccc([N+](=O)[O-])n2)n1CCC1=CCCCC1 481230049 IHGAQQZTBCJSGW-UHFFFAOYSA-N 425.514 4.184 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1ccc(OC(F)(F)F)cc1 484896965 ZGKMYKKXKQCNFU-LBPRGKRZSA-N 427.379 4.181 5 20 IIBD COc1ccc(O[C@H](C)CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1 485731017 GVMVHVXULSPUBQ-QGZVFWFLSA-N 436.464 4.380 5 20 IIBD O=[N+]([O-])c1cc(CNc2nc(O)c3cnn(-c4ccccc4)c3n2)cc(C(F)(F)F)c1 486006014 NNGMXFOKWYEGRM-UHFFFAOYSA-N 430.346 4.060 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@H]2[C@H]3c4ccccc4C[C@H]32)cc1[N+](=O)[O-])c1ccccn1 488729104 DCPQHWNIRSBFGM-ZOQXVFJJSA-N 428.492 4.479 5 20 IIBD O=C(N[C@H](Cc1ccccc1)c1cccs1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 495234892 XODMVFLEIQWVCU-GOSISDBHSA-N 425.514 4.183 5 20 IIBD CCC(=O)N[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 499559817 NRWYQQZBSMSJQI-INIZCTEOSA-N 431.876 4.171 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1C(F)(F)F 500331900 RPGQURVLWJETKZ-UHFFFAOYSA-N 426.319 4.324 5 20 IIBD C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CCC(CCCN(C)C)CC1 501785373 LCOBTEJXFARLKO-INIZCTEOSA-N 445.589 4.099 5 20 IIBD Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 504112727 VMEPYFULVYVOJZ-INIZCTEOSA-N 449.511 4.202 5 20 IIBD Cc1ccc(S(=O)(=O)N(C)c2ccc(OCc3c(F)cccc3[N+](=O)[O-])cc2)cc1 505571295 XUKAQTDMURXELH-UHFFFAOYSA-N 430.457 4.446 5 20 IIBD COc1ccc(-c2nc(C)c([C@H](C)NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)s2)cc1 506252510 DEOHJPWIWFXSRQ-AWEZNQCLSA-N 447.538 4.383 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 506514567 DKOYRYHAEZUCCS-UHFFFAOYSA-N 430.464 4.462 5 20 IIBD O=C(COc1c(Cl)cncc1[N+](=O)[O-])N1CCc2sccc2[C@H]1c1ccccc1 506591317 AIXULEHILRJMSD-LJQANCHMSA-N 429.885 4.258 5 20 IIBD CNS(=O)(=O)c1ccc(N[C@@H]2CCOc3c(-c4ccccc4)cccc32)c([N+](=O)[O-])c1 507026150 CSBPWFFPPMPEHU-LJQANCHMSA-N 439.493 4.106 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CCc2sccc2[C@H]1C 509116377 AFKFQTGSVJBSHN-SNVBAGLBSA-N 442.278 4.329 5 20 IIBD COc1ccc(-c2ccc(CN3CCC(C(=O)N4CCC(C)CC4)CC3)o2)c([N+](=O)[O-])c1 510427534 GCIAUORTLWIWLH-UHFFFAOYSA-N 441.528 4.334 5 20 IIBD CCCN1CCC(N(C)Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)CC1 510470392 VTPKFOSLKOPKHA-UHFFFAOYSA-N 427.545 4.489 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)cc1[N+](=O)[O-] 511717321 ZSUNPCOCFVXJQT-UHFFFAOYSA-N 435.845 4.245 5 20 IIBD Cc1cc(C(=O)Nc2cc(Br)cnc2OCC(F)(F)F)cc([N+](=O)[O-])c1 513426207 FUOGXNXKAOYEHO-UHFFFAOYSA-N 434.168 4.254 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccnn1Cc1cccc(Br)c1 514468703 GYRDRYBYLLPOKY-UHFFFAOYSA-N 444.289 4.043 5 20 IIBD O=C(NCC1(Sc2ccccc2)CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 517609947 VDTVKPLEILOXSI-UHFFFAOYSA-N 433.917 4.408 5 20 IIBD CC(C)C[C@@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N[C@H](C)c1ccccc1 517714948 REGMNNQRLFJKLP-NQIIRXRSSA-N 435.528 4.276 5 20 IIBD O=C(Nc1ccnn1Cc1ccc(Cl)c(F)c1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 518455318 DZIRPWBZDZQSPS-UHFFFAOYSA-N 441.806 4.138 5 20 IIBD O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CCN(CC2CC2)CC1 518817611 OAKUVSFEJOYVEV-UHFFFAOYSA-N 428.920 4.028 5 20 IIBD CN(C)[C@@H](CN[C@H](c1cccc([N+](=O)[O-])c1)c1nccn1C)c1cccc(C(F)(F)F)c1 519197293 CSSWMPLQPIMUSD-VQTJNVASSA-N 447.461 4.329 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(NC(=O)c2ccccc2)c1 520038080 BUPSYEWEMSKMRJ-UHFFFAOYSA-N 425.466 4.210 5 20 IIBD CC(C)COc1cn(-c2ccccc2)nc1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 520773016 PPFURGPEEOPOGF-UHFFFAOYSA-N 446.467 4.458 5 20 IIBD COc1ccc(CSCC(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1[N+](=O)[O-] 523406434 XQMRGEUGRLVEOG-KRWDZBQOSA-N 446.500 4.097 5 20 IIBD CCN(CC)c1nc2sc(C(=O)Nc3cc(C(=O)OC)cc([N+](=O)[O-])c3)cc2s1 524049005 PVNHONHTWVFQNL-UHFFFAOYSA-N 434.499 4.151 5 20 IIBD O=C(N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1(Cc2cccc(Cl)c2)CCCC1 525073624 KYANWYWZMCVFGP-SFHVURJKSA-N 428.920 4.459 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCCN(C)c4ccc(F)cc43)cc2[N+](=O)[O-])CC1 525379709 LSIZDZXWKBRTTI-UHFFFAOYSA-N 426.492 4.457 5 20 IIBD C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 525385353 UDHGCPLSQTVCSV-DLBZAZTESA-N 431.920 4.139 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 532661649 MWJRQOHBFNHFEA-UHFFFAOYSA-N 432.908 4.281 5 20 IIBD COc1ccc(CN2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 535852378 VZBJPBBKZHWFGY-XMSQKQJNSA-N 436.512 4.462 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1 537326339 VDPOENLKRBJEKH-CTNGQTDRSA-N 425.529 4.184 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1cccc(NC(=O)NCc2ccncc2)c1 537687239 CBYJWKZWJJHVCD-UHFFFAOYSA-N 447.495 4.167 5 20 IIBD COc1cc(C(=O)Nc2c(F)cc(C(C)=O)c(F)c2F)c([N+](=O)[O-])cc1OC(F)F 537753419 WSTNXNQQECMWCS-UHFFFAOYSA-N 434.273 4.077 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 538350639 NLKZOEWLMDSIMP-XJKSGUPXSA-N 429.326 4.126 5 20 IIBD CCOC(=O)c1cc(N2[C@H]3CC[C@H]2CC(O)(Cc2ccc(F)cc2F)C3)ccc1[N+](=O)[O-] 539198105 MSUOVJZHFTUTEX-ROUUACIJSA-N 446.450 4.155 5 20 IIBD CC(C)CN(C(=O)CCOC1CCOCC1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 539349705 VOBNJCFNTFRBHK-UHFFFAOYSA-N 433.530 4.293 5 20 IIBD O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CCN(C/C=C/c2ccccc2)CC1 539423406 MIXPCIPQDQZFMY-JXMROGBWSA-N 428.492 4.128 5 20 IIBD CN(C)c1nnc(-c2ccc(NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])cc2)o1 541296843 PWRNOGDUTZVLEI-UHFFFAOYSA-N 433.877 4.095 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)NC2CCC(c3ccc(F)cc3)CC2)cc1OC 541933910 DJLQIWSDKRVARZ-UHFFFAOYSA-N 446.475 4.224 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)NCc1ccc(Oc2cc(C)ccc2C)nc1 542260529 DOINUWIILBSQTP-UHFFFAOYSA-N 436.468 4.407 5 20 IIBD C[C@H](C(=O)NC1(c2noc([C@@H]3CCOC3)n2)CCCCCC1)c1ccc([N+](=O)[O-])cc1F 543456846 DHPNDVVBBWQWEU-LSDHHAIUSA-N 446.479 4.090 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 543513343 KWNAGUWTHBQOGL-SCLBCKFNSA-N 431.489 4.256 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)c1 544639721 KAEJUQFUMHGLNW-UHFFFAOYSA-N 446.529 4.420 5 20 IIBD Cc1sc(S(=O)(=O)N(C)[C@H](c2ccncc2)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 545226732 GJSWSYIJBMBYBU-SFHVURJKSA-N 437.930 4.423 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H]2CCN(c3cccc(Br)c3)C2=O)n1 546402166 NXFNHQONLUHFLR-MRXNPFEDSA-N 443.257 4.236 5 20 IIBD COc1cc(Br)ccc1CCc1nc(Cc2ccc([N+](=O)[O-])c(OC)c2)no1 546472488 MTAUTZXQRYDHTI-UHFFFAOYSA-N 448.273 4.134 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(-c2noc(C(C)(C)c3ccc([N+](=O)[O-])cc3)n2)cc1 547014659 IAZAQKHKMVAASV-UHFFFAOYSA-N 444.513 4.001 5 20 IIBD O=C(NCCc1nc(CCCOc2cccc3ccccc23)no1)c1ccc([N+](=O)[O-])cc1 547106423 BNGNEDQKDIYIJZ-UHFFFAOYSA-N 446.463 4.115 5 20 IIBD COc1cc(CN2CCO[C@@H](c3ccc(F)cc3F)C2)c([N+](=O)[O-])cc1OC(F)F 547972663 YXXCYRXXQJBWCU-GOSISDBHSA-N 430.354 4.057 5 20 IIBD CC(C)(C(=O)N1CCC[C@H](NC(=O)CCCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 553014509 CBMUSFUGLZJTMW-NRFANRHFSA-N 437.540 4.003 5 20 IIBD COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 556609054 PHDZXAZRUMVQOW-FOIQADDNSA-N 425.510 4.228 5 20 IIBD Cn1ccnc1[C@@H](Nc1ccc(NC(=O)CC(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 559072672 OSMFCFFYXJWEKI-SFHVURJKSA-N 433.390 4.421 5 20 IIBD CO[C@H](C)c1nc(=NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)s[nH]1 561009497 NDGNFSQYFZOEIU-LLVKDONJSA-N 447.904 4.093 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 561194790 VXAKNXHDLRSWOH-QRVBRYPASA-N 430.888 4.048 5 20 IIBD CC(C)S(=O)(=O)c1c(Cl)cccc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 567441198 CDPMURCKQNSKJF-UHFFFAOYSA-N 437.905 4.257 5 20 IIBD Cn1cc(-c2nc(-c3cccc(Br)c3)no2)c(-c2ccc([N+](=O)[O-])cc2)n1 569222355 XXDXZPJPWFNGFM-UHFFFAOYSA-N 426.230 4.475 5 20 IIBD C[C@H](NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccc(Oc2cccnc2)cc1 569753547 YNJWVYUZUBYCBQ-INIZCTEOSA-N 434.452 4.447 5 20 IIBD COc1cc(C(=O)N[C@H]2CC[C@H](CO)CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 570062799 YEAJPWGCBGYQLR-SAZUREKKSA-N 434.876 4.330 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)[S@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c(Cl)c1 571816481 OIHLEBCPYUAYSZ-BRRNQIAESA-N 447.900 4.488 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2ccc(F)cc2Cl)n1 572788709 HKJDXQOODQIHHO-UHFFFAOYSA-N 442.834 4.208 5 20 IIBD COc1cc(C)c(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)c(C)c1C 578461199 UCBRIDOONVCROA-UHFFFAOYSA-N 440.237 4.386 5 20 IIBD Cc1nn(C)c(-n2cccn2)c1-c1nc(-c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)no1 579284009 BYLTULYMBMTGMJ-UHFFFAOYSA-N 443.423 4.332 5 20 IIBD O=C(Nc1nncn1-c1cccnc1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 580617764 LSSIVFGEOQTBDK-UHFFFAOYSA-N 449.858 4.088 5 20 IIBD COC1(C)CCN(C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 581243858 AOXUYDLHKFZIKD-UHFFFAOYSA-N 428.510 4.189 5 20 IIBD COC[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(Cl)c1 583715000 OMIWKWSVFLJVOZ-MRXNPFEDSA-N 431.798 4.454 5 20 IIBD CC(=O)Nc1cccc([C@H](C)NCc2cc(I)cc([N+](=O)[O-])c2)c1 589258301 ITTLIGWVYZTDKG-NSHDSACASA-N 439.253 4.009 5 20 IIBD Cc1cc(=O)c(C(=O)N(C)[C@@H](C)c2cc3ccccc3o2)nn1-c1ccccc1[N+](=O)[O-] 603458694 BEJVBXULQGIWNR-HNNXBMFYSA-N 432.436 4.029 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)Nc1nc2ccccc2s1)c1ccccc1[N+](=O)[O-] 603461507 IJBBUPAFUULZBR-HNNXBMFYSA-N 428.470 4.409 5 20 IIBD Cc1c(NC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cccc1[N+](=O)[O-] 603645943 LSFKBGMSHBLJPU-UHFFFAOYSA-N 443.813 4.325 5 20 IIBD COc1ccc(Br)cc1CN(C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 603844292 KVAGCBRJOZNPIU-UHFFFAOYSA-N 433.262 4.048 5 20 IIBD O=C(c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N(C1CCCCC1)C1CC1 604465867 FMZSUJSMOLDIKK-UHFFFAOYSA-N 443.525 4.333 5 20 IIBD CC1CCN(c2ccc(C(=O)N(C)CCCc3nc4ccccc4[nH]3)cc2[N+](=O)[O-])CC1 604481384 MLUQUPSPRAUMGP-UHFFFAOYSA-N 435.528 4.412 5 20 IIBD COc1cc(C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c([N+](=O)[O-])cc1OC 608966584 RIKXINAYRYKGPO-SFHVURJKSA-N 441.267 4.133 5 20 IIBD O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 609198358 KNYPAHGNTZQOCW-HNNXBMFYSA-N 433.486 4.213 5 20 IIBD Cc1c(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cnn1-c1cccc(Br)c1 609262198 SRTVHTXMAHEPNK-GFCCVEGCSA-N 429.274 4.342 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2ccc(I)cc2)[nH]n1 609520663 XBVMPATZUKOJPD-UHFFFAOYSA-N 448.220 4.150 5 20 IIBD CC[C@H](C)NC(=O)c1ccc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c(C)c1 609725318 YJACVGIOLIXCCX-AWEZNQCLSA-N 433.892 4.493 5 20 IIBD O=C(Nc1cccnc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 610060293 PZTLXSPTKFWGDR-UHFFFAOYSA-N 441.241 4.257 5 20 IIBD COc1cc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCCC2)cc([N+](=O)[O-])c1OC 610174097 IJPLFWSBRAVXPL-UHFFFAOYSA-N 442.468 4.316 5 20 IIBD CCOC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)ccc1Cl 611205388 FRGJWSABPUFROG-UHFFFAOYSA-N 438.889 4.416 5 20 IIBD CC1(C(=O)O)CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 611478349 ZFPKVTAYNCBNSF-UHFFFAOYSA-N 431.876 4.187 5 20 IIBD CCc1cccc(Oc2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3OC)cn2)c1 619466828 WLGIWKBHKVFWSU-UHFFFAOYSA-N 429.454 4.154 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 619477380 NEWCCUSROFQTGH-AWEZNQCLSA-N 431.297 4.436 5 20 IIBD CC(C)(C)OC(=O)NCCc1ccc(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1 725746319 FIWGZEDMBMGTGD-UHFFFAOYSA-N 438.484 4.073 5 20 IIBD COC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(OCC(F)(F)F)c1 728013079 WCAUCUAXPBIILA-UHFFFAOYSA-N 432.738 4.228 5 20 IIBD O=C(NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)Nc1ccc([N+](=O)[O-])cc1 728941445 CATGVHNDYADVCV-OAHLLOKOSA-N 437.296 4.185 5 20 IIBD O=C(O[C@@H](c1ccc(Cl)cc1)c1cccnc1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 731551684 BMSJJZOLKOKPRY-FQEVSTJZSA-N 435.827 4.170 5 20 IIBD CCCCN1C(=O)N[C@H](c2csc(-c3cccc([N+](=O)[O-])c3)n2)C(C(=O)OCC)=C1C 733120258 CJISFJHCGDBAMO-GOSISDBHSA-N 444.513 4.422 5 20 IIBD O=C(C[C@@H]1OCCc2ccccc21)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 734313808 IOPZWLCGHNFKBZ-QFIPXVFZSA-N 432.432 4.457 5 20 IIBD COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1 735999707 FZAJIGKIAIBLKU-IFXJQAMLSA-N 430.457 4.474 5 20 IIBD COc1cc(COC(=O)c2ccc([N+](=O)[O-])cc2Br)ccc1OC(F)F 739498029 KSRNZQXGBVSTRF-UHFFFAOYSA-N 432.173 4.324 5 20 IIBD Cc1ccc2nc(COc3ccccc3C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)cn2c1 741344779 SAUFOVHXZQSBGC-UHFFFAOYSA-N 445.431 4.170 5 20 IIBD C[C@@H](CNC(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)N1CCN(C)CC1 742254010 RWSZTZBARTYLPU-IBGZPJMESA-N 441.575 4.299 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(=O)Nc1cccc2ncccc12 744554064 KOXGMEZZMIMSLL-MRXNPFEDSA-N 448.479 4.317 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N2CC[C@@H](CC(C)C)C2)cc1 744639780 GXGORSAKISWXTH-KRWDZBQOSA-N 446.525 4.179 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)CN(C)c2ccccc2[N+](=O)[O-])c2ccccc2)cc1 745615998 PBZCWPCMFIPCKA-QHCPKHFHSA-N 433.464 4.263 5 20 IIBD C[C@H](OC(=O)CN(C)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1Cc1ccccc1 745616715 YZDBEYRCFMUPQY-SFHVURJKSA-N 447.491 4.192 5 20 IIBD O=C(OCc1csc(-c2ccc(Cl)cc2)n1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 747685419 IALPSMUEEBJLGX-UHFFFAOYSA-N 441.856 4.309 5 20 IIBD COc1ccc(Br)c(/C=C/c2ccnc(-c3cccc([N+](=O)[O-])c3)[n+]2[O-])c1 747695158 HOCUPFIBPSXTDF-AATRIKPKSA-N 428.242 4.232 5 20 IIBD Cc1noc([C@H](OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c2ccccc2)n1 750868679 DSGCOLJAZGZGTF-XMMPIXPASA-N 425.444 4.179 5 20 IIBD Cc1c([C@H](C)NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)oc2ccccc12 752830025 CCTOBNOQLVLDHV-UONOGXRCSA-N 425.416 4.019 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] 753035256 GKEGCLSHHOGLOG-INIZCTEOSA-N 434.537 4.253 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCNc2ncnc3sc(-c4ccccc4)cc23)cc1 754081898 NXFAFBMZTSECDU-UHFFFAOYSA-N 440.506 4.152 5 20 IIBD O=C(c1ccc(O)cc1)C1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 755024247 KUSPNQSNSYZBLW-UHFFFAOYSA-N 448.273 4.190 5 20 IIBD CC[C@@H](C)NC(=O)c1cccc(CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c1 755028898 GMTHVHHCHLPIHH-GFCCVEGCSA-N 449.305 4.207 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N(Cc1ccccc1)C[C@H](O)c1cccs1 755759512 YIYXHZSBBISPTH-NRFANRHFSA-N 448.504 4.218 5 20 IIBD C[C@H](OC(=O)Cc1c(F)cccc1F)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 756633081 YXBCRVQGGVUXIQ-NSHDSACASA-N 447.419 4.109 5 20 IIBD O=C(CN(Cc1ccccc1)C[C@@H](O)c1ccsc1)Nc1ccc([N+](=O)[O-])cc1Cl 756904063 UDLLDVXIPJAQJY-HXUWFJFHSA-N 445.928 4.484 5 20 IIBD C[C@H](Nc1ccc(C(=O)O[C@@H]([C@H]2CCCO2)C(F)(F)F)cc1[N+](=O)[O-])c1ccccn1 757572625 WSMOECPWAMRMCO-RZAIGCCYSA-N 439.390 4.430 5 20 IIBD COc1ccc(C(=O)Nc2ccc(C(=O)OCc3ccc(OC)c([N+](=O)[O-])c3)s2)cc1 758133059 XANQPIIUYIJDQR-UHFFFAOYSA-N 442.449 4.283 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 758443159 LMOULWYPNXSYMY-UHFFFAOYSA-N 441.893 4.032 5 20 IIBD Cc1cc(F)cc(C(=O)Nc2ccc(NC(=O)CCN3CCCCC3)cc2)c1[N+](=O)[O-] 758465039 HEQRSCGSJHEQRO-UHFFFAOYSA-N 428.464 4.109 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 759891235 STHTVEXKHHXGFB-INIZCTEOSA-N 427.791 4.455 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)/C=C\SCc1ccco1 760151063 VMDZFVRXCAYPFK-NTMALXAHSA-N 428.470 4.422 5 20 IIBD O=C(CCc1nc(-c2cccs2)no1)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760473247 YSOHMPFOJXFPNA-UHFFFAOYSA-N 426.410 4.037 5 20 IIBD Cc1[nH]c(C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c(C)c1C(=O)OC(C)C 760474541 MCQJVLFVOAKLNP-UHFFFAOYSA-N 427.413 4.117 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@H](c2c(C)nn(C)c2C)C(F)(F)F)cc1SC 760763593 VGWDLPMBTZQJJR-OAHLLOKOSA-N 433.408 4.136 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CN(C)Cc1ccc(Cl)c([N+](=O)[O-])c1 761245859 JYRKLFIUOYXJAJ-UHFFFAOYSA-N 426.698 4.390 5 20 IIBD Nc1ccc(-c2noc(-c3ccc4c(c3)C[C@H](c3ccccc3)OC4=O)n2)cc1[N+](=O)[O-] 761250500 SCXWXCGBWDFQJK-HXUWFJFHSA-N 428.404 4.348 5 20 IIBD Cc1nn(CN2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)c2cc([N+](=O)[O-])ccc12 761292108 OYUONCSPKZJCMO-UHFFFAOYSA-N 447.539 4.114 5 20 IIBD C[C@@H](C(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1)c1cccc([N+](=O)[O-])c1 762337494 AHQQFCKCFSRJGC-QGZVFWFLSA-N 431.533 4.338 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3CCN(c4ccccc4Br)C3)CC2)cc1 765928817 SVUDJSWFYUDSJI-QGZVFWFLSA-N 445.361 4.195 5 20 IIBD COc1cc(C(=O)OCc2cc(C)nn2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 766422906 ZXYKGCLSUHUVRO-UHFFFAOYSA-N 431.832 4.448 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 767989321 HWHYCNCDWOKCRE-IBGZPJMESA-N 429.835 4.261 5 20 IIBD CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 768869133 TUGWELQWAKDWAV-UHFFFAOYSA-N 435.683 4.210 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1[C@H]2CCC[C@H]1CC(NC(=O)OC(C)(C)C)C2 769631047 AUSMFFRIKPXPHV-ROUUACIJSA-N 446.548 4.142 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@H](C)[C@@H](O)c2cccc(F)c2)cc1[N+](=O)[O-])c1ccccn1 770384076 NFUZUXVIXRVQGK-SMASLZHESA-N 438.459 4.154 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C1CCC(NC(=O)CC3CCCCC3)CC1)CC2 773993327 ZKHHCWXRMHCGKT-UHFFFAOYSA-N 427.545 4.438 5 20 IIBD COC(=O)c1cn(CC(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])c2ccccc12 776134033 KWKBACSQXFPENC-HSZRJFAPSA-N 445.431 4.064 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(CC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1 778034151 ZKDYLLFVQULALI-UHFFFAOYSA-N 433.892 4.497 5 20 IIBD C[C@@H](NC(=O)CC(C)(C)C)C(=O)O[C@H](c1ccc(Br)cc1)C(C)(C)[N+](=O)[O-] 778723985 HWFSIIGWOPCWTK-MLGOLLRUSA-N 443.338 4.030 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 779164547 XRESHMSSYFVKLL-CHWSQXEVSA-N 428.327 4.092 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1cc(Cl)ncc1Cl)c1ccccc1[N+](=O)[O-] 780271949 ZFLXKSHSDUYFAB-AWEZNQCLSA-N 426.256 4.109 5 20 IIBD C[C@@]1(C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCCOC1 781287430 RFUGEWUUADJLKW-WIYYLYMNSA-N 432.860 4.288 5 20 IIBD CC(C)(C)OC(=O)NCc1cc(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)co1 781480041 NDZPBRLGSDIWBY-UHFFFAOYSA-N 443.412 4.225 5 20 IIBD Cc1cnc(COC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)c(C)c1[N+](=O)[O-] 789671982 OMEWDOHCUBFKGS-LJQANCHMSA-N 448.317 4.249 5 20 IIBD CCN(CC)c1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2C)cc1 789893065 QIKGSGYTLLITPK-UHFFFAOYSA-N 442.501 4.437 5 20 IIBD Cc1ccc(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c(OC[C@@H]2CCCO2)c1 790562514 YDQITORPYBYAGP-INIZCTEOSA-N 436.867 4.112 5 20 IIBD C[C@H]1CN(c2cccc3cnccc23)CCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790575625 WBPJQGGAVNUQOB-AWEZNQCLSA-N 442.878 4.215 5 20 IIBD CC(C)Oc1cccc(CN(C)C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 793015179 KTKHJKYOKRYNOG-UHFFFAOYSA-N 427.501 4.277 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N(CCc2ccc(F)cc2)C2CC2)cc1[N+](=O)[O-] 793051452 QSHJTYXCNNOBCG-UHFFFAOYSA-N 427.476 4.204 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCCC[C@@H]1c1ncc(-c2ccccc2)[nH]1 793893103 WYMRXHLDRQKKGI-HXUWFJFHSA-N 430.468 4.088 5 20 IIBD O=C(OCc1cccc(Br)n1)c1cc([N+](=O)[O-])c(Br)cc1F 795456683 KWFQDENJPDXGPE-UHFFFAOYSA-N 434.015 4.011 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)C[C@@H]2CCCC[C@H]2O)c2ccccc2)c([N+](=O)[O-])c1 796136283 RNOFKMJJBNKFTK-UCNVEGJOSA-N 426.469 4.067 5 20 IIBD Cc1ccccc1-c1noc(C)c1C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 796214773 HCDPVGABUZWNPX-UHFFFAOYSA-N 429.816 4.316 5 20 IIBD CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2c(F)ccc([N+](=O)[O-])c2C)cc1 800149936 YSIGKZMLGCOSPV-UHFFFAOYSA-N 437.493 4.105 5 20 IIBD O=C(CCN(Cc1ccccc1)C[C@H](O)c1ccsc1)Nc1ccccc1[N+](=O)[O-] 800351246 PYJAZSZRMGOEDM-NRFANRHFSA-N 425.510 4.221 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)OCc1nc(C2CC2)cs1 800932495 GTKQYTQWFBQFSV-UHFFFAOYSA-N 444.250 4.199 5 20 IIBD O=C(OC[C@@H]1CCN(C(=O)c2ccccc2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 801313724 PSGHZFLFZQZIHE-QGZVFWFLSA-N 426.472 4.000 5 20 IIBD O=Cc1ccc(OCC(=O)N2CCc3sccc3[C@@H]2c2cccs2)c([N+](=O)[O-])c1 801931064 NTOZHPPWTUTNAV-HXUWFJFHSA-N 428.491 4.083 5 20 IIBD C[C@@H](OC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])c1ccc(Cl)cn1 802791613 YZBUZEFEUPDASD-SNVBAGLBSA-N 428.670 4.146 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)c1ccc(S[C@@H]2CCCCNC2=O)cc1 809049398 WBAFPXZHDOJFMY-VBKZILBWSA-N 444.509 4.282 5 20 IIBD C[C@H](OC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(S[C@@H]2CCCCNC2=O)cc1 809049471 WYEZLXUIUDZPDR-ORAYPTAESA-N 432.473 4.413 5 20 IIBD COc1cc(NC2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3Cl)CC2)cc(OC)c1 809914828 KHYRHRKHWJPTPG-UHFFFAOYSA-N 434.880 4.374 5 20 IIBD CCCS(=O)(=O)c1ccccc1S[C@@H](C)c1nc(CCC(C)(C)[N+](=O)[O-])no1 812812194 AKJKEQDBCDSLGV-ZDUSSCGKSA-N 427.548 4.095 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C(=O)Nc1ccc(Cl)cc1Cl 814482195 OIMOMWBWPOVAKX-SECBINFHSA-N 444.246 4.291 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)COc2c(Cl)cccc2Cl)cccc1[N+](=O)[O-] 855152383 IHFYZGAOCGPKKO-NSHDSACASA-N 427.240 4.159 5 20 IIBD COc1ccc(OC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)c([N+](=O)[O-])c1 887561399 PRMKOXZNYYAPAF-UHFFFAOYSA-N 425.294 4.166 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1Oc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] 917080919 XEOZAJVJHIBEKR-UHFFFAOYSA-N 435.458 4.168 5 20 IIBD Nc1c(Cl)cc(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])cc1Cl 917730215 DVKLFCCIWHESTJ-UHFFFAOYSA-N 441.090 4.047 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)c2ccc(F)c(Cl)c2)cc1OC 918768373 NEYAKARMRSPGBB-LLVKDONJSA-N 427.812 4.339 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)c1nnc(COc2ccc(C(C)(C)C)cc2)o1 1322367587 KQGDUJPOTYXXBD-INIZCTEOSA-N 428.493 4.459 5 20 IIBD CN1C(=O)C[C@@H](C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])c2ccccc21 1324324506 KMPXZYFMPQNFCQ-LJQANCHMSA-N 431.448 4.263 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1[N+](=O)[O-] 1353485358 FVZMMKBFNNBBRS-UHFFFAOYSA-N 435.484 4.165 5 20 IIBD CC[C@H](C)CC(=O)Nc1ccc(C2(NC(=O)c3nc(OC)ccc3[N+](=O)[O-])CCC2)cc1 1786257110 CBQJACLXTCPHQJ-HNNXBMFYSA-N 440.500 4.182 5 20 IIBD O=C(Cc1cc([N+](=O)[O-])ccc1F)Nc1ccc(C2(NC(=O)c3cccnc3)CCC2)cc1 1786672729 HCZUTJWWYNIEPQ-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CC=CCC4)CCC3)cc2)ncc1[N+](=O)[O-] 1788764490 FXGQBPNBDSCFQO-QGZVFWFLSA-N 434.496 4.402 5 20 IIBD C[C@H]1C[C@]1(C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc([N+](=O)[O-])cc3F)CCC2)cc1 1790424448 HZNCEEWZQKOTRZ-WNSKOXEYSA-N 439.487 4.457 5 20 IIBD Cc1ccc(CC(=O)N2CCC3(CCCN(C(=O)CCC4CCC4)C3)CC2)cc1[N+](=O)[O-] 1805795727 ACZJKILXZVHCAP-UHFFFAOYSA-N 441.572 4.257 5 20 IIBD CCCC(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)[C@@H]1c1cccnc1 1806407274 NQSIWTYBDGWXIB-HRAATJIYSA-N 444.919 4.071 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccsc2)[nH]n1)c1cccc(F)c1[N+](=O)[O-] 1821168643 BCWWGWBVQJWENN-INIZCTEOSA-N 443.460 4.138 5 20 IIBD CCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2cc(F)ccc2[N+](=O)[O-])n[nH]1 1823487742 KCSBJPRHPPXAJU-GOSISDBHSA-N 445.495 4.128 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc([N+](=O)[O-])c(O)cc2C)CC1 1824350282 XTIXYWXSOLYQCH-OXJNMPFZSA-N 445.560 4.278 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CCCCN2C(=O)CC2CC2)CC1 1826609668 GGVLJLSLQMBNCN-IBGZPJMESA-N 445.585 4.107 5 20 IIBD CC/C=C(\C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])CC2 1827458267 AXWNJBURISZRLY-BVNVITJOSA-N 440.525 4.033 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C(=O)NC(c1ccccc1)c1ccccc1 10050932 DFQDGJYHBGNXJL-KRWDZBQOSA-N 447.491 4.112 5 20 IIBD CC(C)n1ncc2c(C(=O)NCCNc3ccc([N+](=O)[O-])cc3)cc(-c3ccco3)nc21 10057137 WUQNLCRNZZFKQQ-UHFFFAOYSA-N 434.456 4.022 5 20 IIBD COc1ccc(C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1[N+](=O)[O-] 11342206 CECCZBFSRJBGKD-UHFFFAOYSA-N 433.631 4.359 5 20 IIBD Cc1ccc(C)c(-c2cc(NC(=O)COc3cccnc3[N+](=O)[O-])n(-c3ccccc3)n2)c1 18532900 GDDVRJUXVRQYOC-UHFFFAOYSA-N 443.463 4.477 5 20 IIBD COc1cc([C@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1OC 24098313 IWJYVASUJQJIIL-QFIPXVFZSA-N 449.419 4.112 5 20 IIBD Cc1ccc(CCC(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)c(C)c1 25765463 DHEAXZCHOUYIFY-UHFFFAOYSA-N 445.522 4.072 5 20 IIBD COc1ccccc1[C@H](C)NC(=O)[C@@H](C)Sc1nc2cc3ccccc3cc2c(=O)n1C 26580925 LBZMGZQAYKYRMC-JKSUJKDBSA-N 447.560 4.453 5 20 IIBD O=C(Nc1cccc(NS(=O)(=O)c2ccccc2)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 58254936 ZTMOZZRNTTTXOY-UHFFFAOYSA-N 436.449 4.129 5 20 IIBD O=C(NCc1ccc(F)cc1)c1ccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1 58445460 BUCWEGXXNTYISF-UHFFFAOYSA-N 432.411 4.398 5 20 IIBD COc1ccc(Cl)cc1C1(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCOCC1 63082024 PDBCJPLLTVDEJG-UHFFFAOYSA-N 443.887 4.216 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCCN(C(C)(C)C)CC2)cc1 63722777 GALUFCNUTCFDHN-UHFFFAOYSA-N 427.501 4.342 5 20 IIBD COc1ccc2c(c1)OC[C@H](C(=O)Nc1nc(-c3cccc([N+](=O)[O-])c3)c(C)s1)C2 64394295 NZHHOUKODFUXNZ-OAHLLOKOSA-N 425.466 4.225 5 20 IIBD C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 69525151 SMQZEJPGKYZAPQ-ZDUSSCGKSA-N 437.905 4.064 5 20 IIBD CN(C[C@H]1CCCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1)C(=O)OC(C)(C)C 110007346 NYGQWBGOLDKDBJ-CYBMUJFWSA-N 426.901 4.359 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N3CC[C@H]4OCCC[C@H]4C3)c([N+](=O)[O-])c2)c(C)c1 301717054 KPLYXWBTTZOORV-HTAPYJJXSA-N 445.541 4.018 5 20 IIBD C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)Nc1ncc(Br)cc1[N+](=O)[O-] 301748252 RWPAMKRWVNESJA-ZDUSSCGKSA-N 448.321 4.182 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N[C@H](c2cccc(F)c2)c2ccccn2)c([N+](=O)[O-])c1 301871119 HHFBEUQJLUFTBZ-OAQYLSRUSA-N 431.427 4.295 5 20 IIBD O=C(Nc1ccc(CNc2c(Br)cncc2[N+](=O)[O-])cc1)c1cccnc1 301902854 WVAXRYLOALGUHJ-UHFFFAOYSA-N 428.246 4.012 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(Cl)cc1I 318522589 IIPUGKNSFBTTRR-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] 409526172 ZIZVZXFDUWKELZ-LBPRGKRZSA-N 446.376 4.300 5 20 IIBD CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccc(Cl)cc1)c1cnccn1 427426245 BACQNCLAJLHSSC-HXUWFJFHSA-N 431.279 4.482 5 20 IIBD Cc1c(NC(=O)C(=O)N(CC2CCCCC2)C2CC2)cc(Br)cc1[N+](=O)[O-] 430336283 YDMGCOVSWBVCFV-UHFFFAOYSA-N 438.322 4.176 5 20 IIBD Cc1cc(OCC(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)ccc1[N+](=O)[O-] 430562136 CLCOZXHJGVWOGU-UHFFFAOYSA-N 437.427 4.241 5 20 IIBD COc1ccc(CC[C@H]2CCCCN2C(=O)c2cccc(OC)c2[N+](=O)[O-])cc1OC 435733644 UOEPFSNLVQFPGL-QGZVFWFLSA-N 428.485 4.248 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCN(C)c3cc(F)ccc32)cc1[N+](=O)[O-])c1ccccn1 437113644 FIAWUGQTZWHINE-HNNXBMFYSA-N 435.459 4.399 5 20 IIBD C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H](OC1CCOCC1)c1ccccc1 437825845 VBRZEJBBBBUFFX-VGOFRKELSA-N 426.513 4.314 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1cccc(Oc2ccccn2)c1 438655115 JEALOEPGMPBUDY-UHFFFAOYSA-N 434.452 4.158 5 20 IIBD CCOC(=O)c1c(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)cc(OC)c(OC)c1OC 439155701 JXALHILHGPGHDP-UHFFFAOYSA-N 446.456 4.173 5 20 IIBD CC[C@H](C)c1ccc(N(Cc2cncn2C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 439561243 MNHAZXDKTSDSJV-INIZCTEOSA-N 428.514 4.237 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N[C@H](C2CCCCC2)C(F)(F)F)cc1[N+](=O)[O-] 439837429 AOAJCYSHVHFFEK-OAHLLOKOSA-N 443.451 4.116 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1nc(-c2ccccc2)n[nH]1 440303080 JFBQIZVCEBQSIW-UHFFFAOYSA-N 425.514 4.101 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1sc(N2CCOCC2)nc1-c1ccccc1 440425923 JOQJTGJHPDVFLE-UHFFFAOYSA-N 438.509 4.424 5 20 IIBD C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 440707827 YQSFIGAPKBXDHU-AWEZNQCLSA-N 433.306 4.268 5 20 IIBD O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCN(c2ncccc2F)CC1 441053113 JVIOLSBXZYBJFM-UHFFFAOYSA-N 438.484 4.243 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCOc2c(Br)cccc21 441516939 YNAKZKHGWMZVBO-UHFFFAOYSA-N 442.063 4.159 5 20 IIBD CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 443884585 PFEFZDZESNNSMF-UHFFFAOYSA-N 431.361 4.096 5 20 IIBD C[C@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1noc(-c2ccccc2)n1 444230612 ZEBSLSSRBHLRRX-ZDUSSCGKSA-N 428.423 4.361 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(CCCOc3ccccc3Br)n2)c1 445574894 BKGJRDZWQWOPQE-UHFFFAOYSA-N 448.273 4.351 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(COCC3CC3)c2)c(Br)c1 447010573 KIDAAWOGYAQRCA-UHFFFAOYSA-N 441.303 4.085 5 20 IIBD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)n1 447532896 VUSDBMBRAVQYCB-DLBZAZTESA-N 434.422 4.269 5 20 IIBD O=[N+]([O-])c1ccc(NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)cc1OC(F)F 462382172 WWSPJUDVZGWRHA-KRWDZBQOSA-N 427.835 4.335 5 20 IIBD CC1CCN(C(=O)C2CCN(c3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)CC2)CC1 462492933 HHAOBWUPEBCHIM-UHFFFAOYSA-N 438.528 4.044 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CCO)c1ccccc1Br 462759117 WPYOXBBOWDEPFB-DNVCBOLYSA-N 435.318 4.166 5 20 IIBD CO[C@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1ccc(Cl)cc1 462894903 JHGDIDUOZKHFNK-QGZVFWFLSA-N 435.267 4.247 5 20 IIBD C[C@H](Nc1cccc(CN2CCNC(=O)C2)c1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 462947914 SKBQWFULHNFVSU-INIZCTEOSA-N 436.537 4.428 5 20 IIBD O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 464084549 ZTOJMZMWUOVOKK-CQSZACIVSA-N 441.793 4.192 5 20 IIBD CO[C@]1(C)C[C@@H](NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1(C)C 465270422 PUTWDOQIBWAORM-YLJYHZDGSA-N 443.466 4.150 5 20 IIBD COC(=O)c1cc(NC(=O)[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c(C)c([N+](=O)[O-])c1 466349829 KUHPDIXVZHVJFP-ACJLOTCBSA-N 436.823 4.199 5 20 IIBD CC[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 466876202 FCJCISIFAJUGEU-MRVPVSSYSA-N 429.829 4.153 5 20 IIBD CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1Cl 466966992 WNVUQAVLZPBTNN-UHFFFAOYSA-N 445.950 4.337 5 20 IIBD CCOc1c(Cl)cc(NC(=O)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl 467595837 MJYGRAJBTZXUHR-NSHDSACASA-N 440.283 4.425 5 20 IIBD C[C@@H]1OCC[C@]12CN(C(=O)c1ccc(Sc3ccc([N+](=O)[O-])cc3)cc1)C[C@@H](C)O2 468537570 RFEKFNSPICDRMZ-VVBPWWLESA-N 428.510 4.155 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)Cc2ccccc2Br)cc1OC 470150750 DSSXGEZUBSXWOV-GFCCVEGCSA-N 437.290 4.126 5 20 IIBD Cc1cc(-c2noc([C@H](C)NC(=O)c3ccc(Br)cc3[N+](=O)[O-])n2)ccc1F 472394236 DYQFTIFSKYUQMC-JTQLQIEISA-N 449.236 4.346 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(COc2ccccc2)c1C 472398956 UPPGNCZCZUEXJA-LJQANCHMSA-N 437.500 4.353 5 20 IIBD Cc1nc2cc(C(=O)N3CC(Oc4ccc([N+](=O)[O-])cc4)C3)ccc2n1Cc1ccsc1 473016038 NHTJKCVRQQRRJK-UHFFFAOYSA-N 448.504 4.266 5 20 IIBD O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 473296809 DJWBUDPWDVQPMB-KRWDZBQOSA-N 447.485 4.211 5 20 IIBD C[C@H](CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)Cn1ccnc1 473877417 NSOFSKHAWGAPHC-OAHLLOKOSA-N 427.892 4.123 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1 474366016 MKJUZAZQXFGYGA-IBGZPJMESA-N 444.488 4.348 5 20 IIBD Cc1cc(=O)n(CC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1[N+](=O)[O-] 474402126 IZECABBXOGWREZ-UHFFFAOYSA-N 439.280 4.134 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(O)(Cc2cccc(F)c2)CC1 474825816 PBHMPWBOULSUGR-UHFFFAOYSA-N 432.517 4.446 5 20 IIBD COC(=O)c1cc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)cc([N+](=O)[O-])c1 474863416 JETNSDNEBIYQKV-UHFFFAOYSA-N 436.386 4.420 5 20 IIBD CC[C@@H](C)CN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 480179844 LPZWDDIOQOCSNM-OAHLLOKOSA-N 433.530 4.212 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N[C@@H](CO)c2c(Cl)cccc2Cl)c([N+](=O)[O-])c1 481047230 ZVIMTXOZSIQOKQ-HNNXBMFYSA-N 435.267 4.012 5 20 IIBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cc2sc(N3CCCC3)nc2s1 483172350 XWVIGVNLVPCZNC-UHFFFAOYSA-N 446.510 4.280 5 20 IIBD CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])c(C)c1 483416869 RHRITDCJKOFVME-CYBMUJFWSA-N 431.514 4.414 5 20 IIBD C[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1Br)c1cccc([N+](=O)[O-])c1 485873035 KIYBJUACLOJHGY-SNVBAGLBSA-N 433.711 4.191 5 20 IIBD COc1cc(NC(=O)c2csc([N+](=O)[O-])c2)c(Br)cc1Br 486114589 JKVKBCMUKNJIQT-UHFFFAOYSA-N 436.081 4.442 5 20 IIBD COc1ccc(SC)c(OC)c1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 486714921 SXZMDZISBLLDLZ-UHFFFAOYSA-N 430.404 4.283 5 20 IIBD O=C(c1cc(Br)cc(C(F)(F)F)c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 487009128 DSKRCICWIUFYHE-UHFFFAOYSA-N 447.211 4.050 5 20 IIBD O=c1c([N+](=O)[O-])cn(Cc2ncc(-c3ccccc3Br)o2)c2ccccc12 487913246 GCAHLSRGAGWOMK-UHFFFAOYSA-N 426.226 4.376 5 20 IIBD CCN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@@H](c1ccc(Br)cc1)c1cccnc1 496588774 BJIIVYKJVXRSBX-IBGZPJMESA-N 443.301 4.343 5 20 IIBD CCOc1cc(CN(C)C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)ccc1OC(F)F 496643303 PLPADZBWELSWHD-UHFFFAOYSA-N 433.411 4.208 5 20 IIBD O=C(NC[C@H](c1ccco1)N1CCCCC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 497695857 HLFLVXLYRSDBOV-GOSISDBHSA-N 426.498 4.268 5 20 IIBD COc1ccc([C@@H](C)NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cc1 498857011 QFPACDWIRHIHDA-MRXNPFEDSA-N 447.491 4.391 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N(C)c2cc(Cl)cc(Cl)c2)ccc1[N+](=O)[O-] 499533521 KFQUNUBTKGJJON-SFHVURJKSA-N 436.295 4.478 5 20 IIBD COCC[C@@H](Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])c1ccco1 503301817 WREFHEJHBVDOQO-GOSISDBHSA-N 431.470 4.178 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 503693939 FATXPQZNOAHQSZ-CYBMUJFWSA-N 425.391 4.356 5 20 IIBD O=[N+]([O-])c1ccc(-c2cnn(Cc3nnnn3-c3ccc(Cl)cc3C(F)(F)F)c2)cc1 504505032 XMCGKNWLQHCHON-UHFFFAOYSA-N 449.780 4.155 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)NCCc2cccc3ccccc23)cc1[N+](=O)[O-] 508767076 YIVMWAQTPPMSCX-UHFFFAOYSA-N 433.493 4.000 5 20 IIBD COc1cc(C(=O)N2C[C@H](C)N(C)C[C@H]2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 509622303 YYIFKVYHKRYQOM-UONOGXRCSA-N 433.892 4.214 5 20 IIBD CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])cc1I 510863922 CGJJVPFTQIULPG-SECBINFHSA-N 444.191 4.248 5 20 IIBD O=C1CC[C@]2(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)Sc3ccccc3N12 514857366 KDYLHYGKYATCCN-HXUWFJFHSA-N 438.490 4.286 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 516701972 BURGUVPMLVDENH-HNNXBMFYSA-N 447.333 4.025 5 20 IIBD CC[C@@H](c1ccccc1)c1nnc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)s1 520729024 POFUIRLAGDBODP-KRWDZBQOSA-N 434.481 4.426 5 20 IIBD O=C(NCCc1cc(F)cc2c1OCOC2)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 521183917 ZLOOITMEBYZZSS-UHFFFAOYSA-N 438.411 4.365 5 20 IIBD COc1cc(C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)c([N+](=O)[O-])cc1OC 521237408 XJIQYMHUZQFDJR-UHFFFAOYSA-N 447.875 4.144 5 20 IIBD O=C(NCCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1cc([N+](=O)[O-])c[nH]1 521503463 QBAYKJQULLJVNJ-UHFFFAOYSA-N 435.871 4.402 5 20 IIBD CCOC(=O)[C@@H]1CCCCN1C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 523446430 HTGVMTSWTCCOQR-IBGZPJMESA-N 445.903 4.418 5 20 IIBD CCOc1cc(C(=O)Nc2nnc(-c3cc(C)cc(C)c3)s2)c([N+](=O)[O-])cc1OC 524513093 YGRKPXPMNLPYDM-UHFFFAOYSA-N 428.470 4.390 5 20 IIBD Cc1cc(Br)cc([N+](=O)[O-])c1OCC(=O)Nc1ccccc1Br 531482427 QKALMDLNNUZUSP-UHFFFAOYSA-N 444.079 4.446 5 20 IIBD Cc1nn(-c2ccc(C(=O)N(C)c3cccc([N+](=O)[O-])c3)cc2)c(C)c1Br 532827323 KXBBWZRSRIIILB-UHFFFAOYSA-N 429.274 4.436 5 20 IIBD O=C(Nc1ccccc1)[C@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccccc1 533350254 MSLQHSHCROZSIL-OAQYLSRUSA-N 429.436 4.114 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)c(C(F)(F)F)c1 535384316 MGWSBRDSXNAOOF-UHFFFAOYSA-N 436.318 4.228 5 20 IIBD CC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccc(C)cc1)n1cncn1 535882489 HYEAZEOACDEZIZ-PKOBYXMFSA-N 428.880 4.338 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)NCCCc1ccc(Br)cc1F 537221349 UYJIHRLHNWNSCL-UHFFFAOYSA-N 425.254 4.258 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 538644201 SQSLOHXESYNPSM-INIZCTEOSA-N 436.516 4.191 5 20 IIBD Cc1nc(CN2CCC(CNC(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)CC2)oc1C 539352727 PETDNHYURCVYFJ-UHFFFAOYSA-N 446.573 4.342 5 20 IIBD Cc1cc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)n2)c(C)o1 539546496 FKNQXEQZPRKPPQ-UHFFFAOYSA-N 428.470 4.017 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2csc(CCc3ccccc3)n2)c1 540628946 IITURHCTPCLDNW-UHFFFAOYSA-N 425.510 4.230 5 20 IIBD Cc1cc(C(=O)NCC(=O)N(Cc2ccccc2)[C@H](C)c2cccs2)ccc1[N+](=O)[O-] 542986373 VQDHNMJGYPPPTA-QGZVFWFLSA-N 437.521 4.485 5 20 IIBD Cc1c(Br)cc(-c2nc(Cc3cn4cccc(C)c4n3)no2)cc1[N+](=O)[O-] 545679899 BOSMLRWWACARNG-UHFFFAOYSA-N 428.246 4.263 5 20 IIBD COc1ccc(Cc2noc(-c3ccc(C)c([N+](=O)[O-])c3)n2)c(Br)c1OC 546376172 COUBXIFUSRQJKC-UHFFFAOYSA-N 434.246 4.324 5 20 IIBD O=[N+]([O-])c1cccc(-n2ccc(-c3nc(-c4cnc(Oc5ccccc5)cn4)no3)n2)c1 546520390 IKSWEZKUPJWCPU-UHFFFAOYSA-N 427.380 4.080 5 20 IIBD CCOC(=O)c1cc(C(=O)N(Cc2cc(OC)ccc2OC)C(C)(C)C)cc([N+](=O)[O-])c1 548996754 UWLYLSLWPZXWEV-UHFFFAOYSA-N 444.484 4.230 5 20 IIBD CCN(CC)C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cccs2)C1 549964570 FVMQROIWHFANNM-KRWDZBQOSA-N 440.573 4.131 5 20 IIBD CCc1ccc([C@@H](N[C@@H]2CCCN(C(=O)N3CCCC3)C2)c2ccc([N+](=O)[O-])cc2)o1 552090801 UWFIBDSAIITSMA-GCJKJVERSA-N 426.517 4.109 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 557743293 DXARECIRAASMQW-LJQANCHMSA-N 442.821 4.328 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N3CC4(CCC4(F)F)C3)c([N+](=O)[O-])c2)c(C)c1 563271539 WBQHEFPURDEENN-UHFFFAOYSA-N 437.468 4.248 5 20 IIBD O=[N+]([O-])c1cc2c(O)ncnc2cc1N1CCC[C@H](Nc2cccc(Br)c2)C1 565815266 NQYLUZDWUZNPEI-AWEZNQCLSA-N 444.289 4.087 5 20 IIBD Cn1ccnc1[C@@H](NC[C@@H]1CCCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 574123379 AOYGHYPEVINBHL-URXFXBBRSA-N 433.556 4.310 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c(C)cc1Br 588864058 YWVVPDYVPWPBON-UHFFFAOYSA-N 432.230 4.186 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1nnc(Cc2ccc(F)cc2)s1 592675487 BKYCIFRYPDAJFW-UHFFFAOYSA-N 444.491 4.375 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(OC(C)C)c(OC)c1 603632324 YBZHHKLUMDVNHZ-HUUCEWRRSA-N 431.489 4.077 5 20 IIBD CCOC(=O)C[C@@H](c1ccccc1)C1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 603871347 XBGJYXXTNZYMNC-KRWDZBQOSA-N 428.514 4.257 5 20 IIBD O=C(Nc1cccc(CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)c1)c1ccccn1 603942598 NZUDUEOLJPXPCN-UHFFFAOYSA-N 445.479 4.090 5 20 IIBD CCCC(=O)Nc1nc2ccc(NC(=O)CCNc3ccccc3[N+](=O)[O-])cc2s1 604113474 HKNSJNCOOIOQEQ-UHFFFAOYSA-N 427.486 4.384 5 20 IIBD CC1CCN(c2ccc(C(=O)NC[C@H](c3ccc(F)cc3)N(C)C)cc2[N+](=O)[O-])CC1 604181284 BEPFKGPTBIEONU-JOCHJYFZSA-N 428.508 4.003 5 20 IIBD COc1cccc2c1OCC[C@H]2NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 604570771 JRIZCDRLWIJAMS-DNVCBOLYSA-N 448.479 4.425 5 20 IIBD O=C(Nc1cc(F)ccc1N1CCCCC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 608893438 NAVPTKKITSOCEA-UHFFFAOYSA-N 427.480 4.078 5 20 IIBD O=C(Nc1ccnn1Cc1cccc2ccccc12)c1cc([N+](=O)[O-])cc2c1OCCO2 608937696 GWUAKFORTJSQBP-UHFFFAOYSA-N 430.420 4.016 5 20 IIBD CCCN(C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCCN(Cc2ccccc2)C1 609011603 FHNCKMMQDGCLFX-OAQYLSRUSA-N 425.529 4.049 5 20 IIBD CN1CCN(C[C@H](Nc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])c2ccccc2)CC1 609039299 IWDQXOZPHDFSCF-DEOSSOPVSA-N 444.535 4.226 5 20 IIBD O=C(Nc1cnc(C2CC2)nc1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 609127413 HRUFVMWDFVQXDR-UHFFFAOYSA-N 435.406 4.136 5 20 IIBD CN(C)CCCOc1ccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 609330938 HICLSIZRSGAHOO-UHFFFAOYSA-N 426.498 4.301 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 610598115 UCMKHZHZWLVKOG-AOOOYVTPSA-N 434.720 4.216 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCc2cc(Cl)c(Cl)cc2[C@@H]1C 610728952 XZWUFYXBIGMQQK-RYUDHWBXSA-N 436.295 4.166 5 20 IIBD O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CCc2cccc(Cl)c21 611226970 XKHHARUAHFCGDP-UHFFFAOYSA-N 428.613 4.056 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCC[C@@H]1c1ccccc1Br 611234409 UBEWIDIVDKTPCI-GOSISDBHSA-N 439.331 4.067 5 20 IIBD COC(=O)c1ccc(OCc2csc(N(C(C)=O)c3ccccc3F)n2)cc1[N+](=O)[O-] 613110191 HVODNQCJMJAUNO-UHFFFAOYSA-N 445.428 4.241 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 727243299 BTMKIQRZOJRHGV-UHFFFAOYSA-N 430.461 4.378 5 20 IIBD C[C@H](CCc1ccco1)NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727472990 BJXXYSAQRGNAKZ-CQSZACIVSA-N 440.422 4.060 5 20 IIBD CCOc1c(C)cc(COC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1C 727639652 OUNVQXLZVGAHSY-NRFANRHFSA-N 440.496 4.267 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CCC[C@H](Cc2ccccc2)C1 730018704 WIAVARIYIREJTL-OAHLLOKOSA-N 439.331 4.001 5 20 IIBD COc1ccc2cc(CN(C)C(=O)[C@@H](C)OC(=O)c3cc(F)cc([N+](=O)[O-])c3)ccc2c1 731528541 AHOVHMIZTPIYHM-CQSZACIVSA-N 440.427 4.100 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)ccc1Cl 731780138 ZAFSQOJYLFODEQ-UHFFFAOYSA-N 442.884 4.447 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1CN(C)C(=O)OC(C)(C)C 745383179 QZRFCBMCYNECTE-UHFFFAOYSA-N 435.502 4.071 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)c(C(F)(F)F)c1 746598126 REVKSBXNTKVJRY-UHFFFAOYSA-N 429.420 4.405 5 20 IIBD COC(=O)c1ccc(C(F)(F)F)cc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 748622573 FDGHAOZCVYUZJW-UHFFFAOYSA-N 441.318 4.178 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)cccc1[N+](=O)[O-] 748908251 OWYKQRDXYISBGG-VBNZEHGJSA-N 447.285 4.340 5 20 IIBD CCc1ccc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1N 751674226 OUQPDIUOIVJCKW-GFCCVEGCSA-N 440.481 4.047 5 20 IIBD O=C(CC[C@@H]1CCOC1)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 751708536 HJOXSSXQTBSVFF-VLIAUNLRSA-N 432.860 4.288 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N[C@H](C)c2nc3ccccc3n2C(F)F)cc1[N+](=O)[O-] 752233386 NFSAEPKPABMUMO-SNVBAGLBSA-N 444.847 4.341 5 20 IIBD CC(C)(C)OC(=O)C[C@H](NC(=O)OC(C)(C)C)c1noc(-c2ccc([N+](=O)[O-])s2)n1 752857151 QAPJEMZVSJEXOZ-JTQLQIEISA-N 440.478 4.004 5 20 IIBD O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1CCC[C@]2(CCCc3ccccc32)C1 753166646 MRUQMCBYDVFYHL-RUZDIDTESA-N 430.508 4.146 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)cc1[N+](=O)[O-] 753199601 JPJDWMKQVGTIRM-UHFFFAOYSA-N 431.202 4.374 5 20 IIBD Cc1ccc([C@H](CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)N2CCCC2)o1 755029787 ZPAJCLLWJBPLJV-INIZCTEOSA-N 437.294 4.217 5 20 IIBD COc1cc(OC)c(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1F 755066823 XNVJMDSCBFMXSB-SECBINFHSA-N 431.342 4.209 5 20 IIBD COc1coc(COC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)cc1=O 757913844 QXYOQTIVCRHFSF-UHFFFAOYSA-N 444.827 4.179 5 20 IIBD CN(C)c1ccc(N(Cc2ccc[nH]2)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1 757984218 KDTLQTOWMFGHCX-UHFFFAOYSA-N 430.468 4.022 5 20 IIBD O=C(NC[C@H](O)c1cc2ccccc2s1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 758325522 ZCHOFTWXOBFKIS-INIZCTEOSA-N 425.491 4.396 5 20 IIBD CC(C)CC(=O)Nc1ccc(C(=O)COC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 758733946 BWEIWDJKLZZHCO-UHFFFAOYSA-N 437.452 4.029 5 20 IIBD O=C(O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1csc(COc2ccc(F)cc2)n1 759938872 AHXAJTTYIUDMCB-IAGOWNOFSA-N 446.460 4.307 5 20 IIBD O=C(c1ccc(I)c([N+](=O)[O-])c1)N1CCCc2c(F)ccc(F)c21 760782775 MTQLDVLHHBHDIB-UHFFFAOYSA-N 444.175 4.071 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(-c3ccc(OCc4ccccc4)nc3)no2)ccc1-n1ccnc1 761814727 YSYQELUUYWEZDM-UHFFFAOYSA-N 440.419 4.472 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c(Br)c1 762904952 NWVOKQGLXUNADS-NSHDSACASA-N 446.257 4.331 5 20 IIBD CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])c2nsnc2c1 762969044 QMYWNFKXHJUODQ-NEPJUHHUSA-N 428.470 4.297 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 763508260 XNIKSJGJCIBRJP-INIZCTEOSA-N 437.924 4.244 5 20 IIBD O=C(O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1ccn(-c2ccc(F)cc2F)n1 766606719 QAPNYYUDEFILGP-NRFANRHFSA-N 436.374 4.400 5 20 IIBD O=C(NC[C@H](O)c1ccc(-c2ccccc2)cc1)c1ccc(Br)cc1[N+](=O)[O-] 768550193 BTNSIPBUXQRGPT-FQEVSTJZSA-N 441.281 4.488 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 770015628 IPWFGWNXWZGHRL-STQMWFEESA-N 426.901 4.405 5 20 IIBD O=C(O[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1ccc([N+](=O)[O-])c2cccnc12 770407635 NPYCNDLMOIYPMZ-QGZVFWFLSA-N 445.353 4.124 5 20 IIBD O=C(Cc1noc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1)Nc1c(Cl)cccc1Cl 771032613 SMMSNAXEPAGTRC-UHFFFAOYSA-N 438.183 4.041 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Oc1cc(Cl)cnc1Br 775508839 WXSOMHSHQHTGEY-UHFFFAOYSA-N 447.694 4.363 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)C[C@H](C)C(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 777216294 RYXYLJXWNPHOMH-QWHCGFSZSA-N 448.859 4.036 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(NC(=O)OCC(C)C)c1 777924910 WQRPWJGDZYYMDS-UHFFFAOYSA-N 425.438 4.048 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 778823361 VIHLDVNZIGVQGE-CYBMUJFWSA-N 447.494 4.079 5 20 IIBD CCc1nnc([C@@H](C)OC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)o1 781912861 WNAUZHWTKRFPLN-GFCCVEGCSA-N 441.465 4.411 5 20 IIBD CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)[C@H](O)c1c(F)cccc1F 786415673 XYRFVFICVSPTJW-WBVHZDCISA-N 443.244 4.186 5 20 IIBD O=C(NC[C@@H](O)c1ccccc1Cl)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 787426388 HHFQPGRRBMWSKS-OAQYLSRUSA-N 426.856 4.291 5 20 IIBD O=C(NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 790776582 CUOMDKRATPCAEL-QINHECLXSA-N 442.313 4.011 5 20 IIBD CN(C)c1cc(F)c(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccsc2)cc1[N+](=O)[O-] 791222105 OPFJXSIWAUHILE-OAQYLSRUSA-N 443.500 4.237 5 20 IIBD COCCC[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 791902639 XJLUAVSDYNPQGW-HXUWFJFHSA-N 425.529 4.353 5 20 IIBD Cc1nc2ccc(C(=O)Oc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)cc2n1C 792871662 FMPPBHPIUDMHCK-UHFFFAOYSA-N 430.420 4.261 5 20 IIBD COc1cc(CSCc2cc(Br)no2)c([N+](=O)[O-])cc1OCC(F)F 793963405 BWENJJIVFPHBMM-UHFFFAOYSA-N 439.234 4.431 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1 794028982 ADVGSOSESBTZCN-HXUWFJFHSA-N 439.512 4.299 5 20 IIBD C[C@H](OC(=O)CCc1cnc2ccccc2c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 795802305 RUYBYRMEHHCOOH-ZDUSSCGKSA-N 427.844 4.299 5 20 IIBD O=[N+]([O-])c1ccc(CN[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)c([N+](=O)[O-])c1 796598967 GZYQLRQFEVAXDJ-SFHVURJKSA-N 425.363 4.013 5 20 IIBD COCCn1c(Cc2c[nH]c3ccccc23)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 812137098 OTNIGMIKUZXQMR-UHFFFAOYSA-N 446.511 4.074 5 20 IIBD C[C@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 813619392 VWTWPFSQZHOUKU-HOTGVXAUSA-N 434.537 4.165 5 20 IIBD CCOc1ccc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 815510997 QZPADLRYAAOOHS-NSHDSACASA-N 426.347 4.196 5 20 IIBD C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 816996178 JQWDLLKENHSJRA-KZULUSFZSA-N 442.365 4.120 5 20 IIBD C[C@@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)ccc1F 822598038 DEEOMZGEROBASX-GFCCVEGCSA-N 435.839 4.172 5 20 IIBD CC(C)[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)N1C[C@@H](C)C[C@@H](C)C1 878472590 LLCQTNOVSLDCNK-ANSQWYIGSA-N 448.563 4.227 5 20 IIBD COC(=O)c1ccoc1COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1 915248971 ASPFENZVGPXLDU-UHFFFAOYSA-N 427.365 4.132 5 20 IIBD C[C@@H](OC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl)C(=O)Nc1ccccc1[N+](=O)[O-] 915498393 INYQSLXKVRDLBS-GHMZBOCLSA-N 427.240 4.239 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Oc1cc(C)c(Cl)c(C)c1 916862644 BRPNQHIKYUSMNX-KRWDZBQOSA-N 436.917 4.322 5 20 IIBD C[C@H](Oc1ccc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cn1)c1ccccc1 917263514 CUAXNRGJDINYAJ-HNNXBMFYSA-N 436.420 4.353 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CCC(Cc2ccccc2)CC1 917840923 MCORBDWRNGNZIU-UHFFFAOYSA-N 439.331 4.001 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccc(F)cc2n1 1317838558 PSZQHBARZXNOPN-NSHDSACASA-N 431.807 4.428 5 20 IIBD O=C(N[C@H](C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1)OCc1ccccc1 1319132597 GUHLVUIDYLRWBU-QFIPXVFZSA-N 431.448 4.105 5 20 IIBD Cc1c(I)cccc1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 1319963493 KBMQGRKQLGGWSO-LBPRGKRZSA-N 439.253 4.255 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CN2CCC(Nc3ccccc3)CC2)c1 1323968511 XSEFVGVVWKKIJD-UHFFFAOYSA-N 437.281 4.276 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@H](c2nnc(-c3cc(F)ccc3Br)o2)C1 1345960959 RBBVZKBHTMCXQG-HNNXBMFYSA-N 433.193 4.412 5 20 IIBD CCC(=O)NC1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 1529216104 FDHWICDZQIXCSM-UHFFFAOYSA-N 431.876 4.171 5 20 IIBD Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)/C=C/c4ccc([N+](=O)[O-])o4)cc3)CCC2)o1 1786208088 JOPWDBWNWGILGM-PKNBQFBNSA-N 449.463 4.479 5 20 IIBD O=C(/C=C/C1CC1)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c4c3OCO4)cc2)CCC1 1790094487 WEIRCUDIONYNMB-NYYWCZLTSA-N 449.463 4.037 5 20 IIBD Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4cc([N+](=O)[O-])ccc4s2)C3)c[nH]1 1797144538 MUVIIRXVSKLUPB-BJWYYQGGSA-N 438.509 4.012 5 20 IIBD CC/C=C(\C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cc([N+](=O)[O-])ccc2F)CC1 1824947597 DDFGUXLNCJKEKH-PIMOAMBUSA-N 445.535 4.252 5 20 IIBD CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCc2cc(C)c(F)cc2[N+](=O)[O-])CC1 1826346747 KFORBONPAIRHTA-NRFANRHFSA-N 447.551 4.395 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@@H]2CCCCN2C(=O)C23CCC(CC2)CC3)CC1 1832386183 PNBGQQNGMHDUGT-MZXKRHHESA-N 443.544 4.392 5 20 IIBD CC[C@H]1CC[C@H](C(=O)N2CCCC23CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C3)CC1 1846216421 NDVIGAUKGAAJBW-OVHHSSLOSA-N 425.529 4.028 5 20 IIBD Cc1ccc(C)c(C(=O)CCC(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 8852770 GWWFSAAGDWMLMR-CQSZACIVSA-N 432.860 4.398 5 20 IIBD C[C@@H](OC(=O)c1ccc2ncsc2c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 8938951 SBOVOJAPULTQGY-SECBINFHSA-N 439.371 4.407 5 20 IIBD CSc1ccc(C(=O)OCC(=O)Nc2ccc(Br)c(C)c2)cc1[N+](=O)[O-] 9621905 GMSVUPAWJCSITK-UHFFFAOYSA-N 439.287 4.183 5 20 IIBD C[C@@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)Nc1ccc(N2CCOCC2)cc1 10318479 RJPKKPSVWGKUOI-CYBMUJFWSA-N 444.538 4.160 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(NCCc2ccccc2)s1 10773318 FFXALGUZLLLNIJ-UHFFFAOYSA-N 429.527 4.140 5 20 IIBD CC(C)CCn1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O 11207866 ARXUVJQWRCENBM-OAHLLOKOSA-N 440.525 4.470 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2C(C)C)CC1 14909413 OLQUILGYEIOHFO-UHFFFAOYSA-N 445.541 4.066 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCc1ccc(F)cc1 15209922 UGPSTWNUZBMYKR-UHFFFAOYSA-N 445.472 4.198 5 20 IIBD COc1cc(CCNC(=O)c2cc(-c3ccco3)nc3ccccc23)c([N+](=O)[O-])cc1OC 16143272 DSESBGAINCQPGW-UHFFFAOYSA-N 447.447 4.393 5 20 IIBD Cc1cc(CSc2ccccc2C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)on1 16542303 LCKYNASKUFRYME-UHFFFAOYSA-N 445.428 4.118 5 20 IIBD Cc1ccc([C@H](NC(=O)COC(=O)c2ccc(Br)c([N+](=O)[O-])c2)C2CC2)cc1 22183815 DMTYXJDIBXFUKM-IBGZPJMESA-N 447.285 4.090 5 20 IIBD C[C@@H](OC(=O)Cc1csc(-c2ccccc2Cl)n1)C(=O)Nc1ccccc1[N+](=O)[O-] 26674914 DZROHFUVNAMOOG-GFCCVEGCSA-N 445.884 4.485 5 20 IIBD COc1ccc(CN(C(=O)COc2cccnc2[N+](=O)[O-])[C@@H](C)Cc2cccs2)cc1 27267814 UMODEBQYOFRYNN-INIZCTEOSA-N 441.509 4.099 5 20 IIBD COc1ccc(CN(C(=O)COC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C2CC2)cc1 27313380 QUQAVLPIWMKASI-UHFFFAOYSA-N 440.477 4.166 5 20 IIBD CC(C)NC(=O)Cc1ccc(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)cc1 32454727 YHXRYWHOIGGCNK-QGZVFWFLSA-N 438.528 4.151 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccc(OCc2ccccc2F)cc1)c1cccc([N+](=O)[O-])c1 64776380 JAVAWQDGAFZOGI-HNNXBMFYSA-N 437.427 4.129 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCc2nc(-c3ccccc3)no2)cc1[N+](=O)[O-])c1ccccn1 64850663 GEZZOJWUEFYERU-OAHLLOKOSA-N 444.451 4.143 5 20 IIBD COC(=O)c1cc(C(=O)Nc2nc3c(s2)C[C@@H](c2ccccc2)CC3)cc([N+](=O)[O-])c1 72042983 VSGNOGYISGXJIW-AWEZNQCLSA-N 437.477 4.363 5 20 IIBD COc1ccc(CC[C@H]2CCCCN2C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)cc1OC 110277476 BHJBSMAMHOLXEF-MRXNPFEDSA-N 438.484 4.116 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cn(-c2ccccc2C(F)(F)F)nn1 195630497 WCMBKALQOQZMHJ-UHFFFAOYSA-N 433.390 4.245 5 20 IIBD CCN(CC(=O)Nc1c(Cl)cccc1Cl)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 217103040 ZBSUPJWTGLGGRZ-LBPRGKRZSA-N 439.299 4.189 5 20 IIBD NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 301934624 QYXSTKQZJHWPMU-UKRRQHHQSA-N 429.420 4.009 5 20 IIBD CC(C)CCOc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c1 303422488 DAIIYOCQZFXQIE-KRWDZBQOSA-N 431.514 4.325 5 20 IIBD Cc1cc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc1I 410032131 GKPMUXGONXMUSU-UHFFFAOYSA-N 430.629 4.091 5 20 IIBD CCOc1ccccc1[C@@H](CC(C)C)NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 426069513 KHBBVBWZGINHPQ-LJQANCHMSA-N 429.521 4.324 5 20 IIBD Cc1cc(OCC(=O)N[C@H](c2ccccc2)c2nc3ccccc3n2C)ccc1[N+](=O)[O-] 430401853 LFXOFLONLSTSAR-HSZRJFAPSA-N 430.464 4.075 5 20 IIBD C[C@@H]1C[C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCN1Cc1ccccc1 430656306 FFWMNICTWKDIMV-IFMALSPDSA-N 439.559 4.324 5 20 IIBD COc1ccc(Br)cc1C(=O)CCC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 430900318 MXFILBVSRUHDJZ-UHFFFAOYSA-N 449.301 4.380 5 20 IIBD Cc1c(NC(=O)[C@H](C)N2CCC3(CCN(Cc4ccccc4)CC3)C2)cccc1[N+](=O)[O-] 433046288 UDUZHOIDQZHIHQ-FQEVSTJZSA-N 436.556 4.218 5 20 IIBD COc1cc(CCNC(=O)N(C)[C@@H](c2ccc(F)cc2)C(C)C)c([N+](=O)[O-])cc1OC 433980269 VJLMPBWMCYMKSH-OAQYLSRUSA-N 433.480 4.332 5 20 IIBD O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N(C[C@@H]1CCCO1)c1ccc(Br)cc1 434757518 GSWGEFAPBQYMRN-HNNXBMFYSA-N 445.273 4.059 5 20 IIBD O=[N+]([O-])c1cccc(-c2cc(NS(=O)(=O)c3ccc(OC(F)F)c(Cl)c3)n[nH]2)c1 434970322 YMASHWFLSQXXAK-UHFFFAOYSA-N 444.803 4.041 5 20 IIBD CN(C)[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1ccsc1 436092838 MHAMHNMRYRCOID-SFHVURJKSA-N 427.476 4.054 5 20 IIBD O=C(Nc1ccccc1)Nc1cccc2c1CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)C2 436971151 HKFABDFZJNLZBR-UHFFFAOYSA-N 432.436 4.143 5 20 IIBD O=C(c1ccc(-c2noc(C(F)(F)F)n2)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437103270 JEYPXAMALJMGHD-UHFFFAOYSA-N 432.358 4.468 5 20 IIBD O=C(NCC(=O)N1CCC[C@@H](CCCc2ccccc2)C1)c1c(Cl)cccc1[N+](=O)[O-] 439165386 FFIWVSSPGNVENM-GOSISDBHSA-N 443.931 4.240 5 20 IIBD CCOc1cc(NC(=O)N2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)c([N+](=O)[O-])cc1OCC 439346776 NSSGSILAKJWWOY-GFIVTLFCSA-N 435.521 4.186 5 20 IIBD Cc1cc(C)c(S(=O)(=O)N[C@H](c2c[nH]c3ccccc23)C(F)(F)F)cc1[N+](=O)[O-] 443453621 MHNBABUTAVJABC-QGZVFWFLSA-N 427.404 4.275 5 20 IIBD Cc1nn(-c2ccccc2)cc1CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444302916 SEHJURQNCURJGH-UHFFFAOYSA-N 444.441 4.384 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 444504703 VJRSCZNWJNPAAE-UHFFFAOYSA-N 445.541 4.417 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cnn(Cc4ccccc4Cl)c3)n2)c1 445583337 NBYPYCCMWUFTQW-UHFFFAOYSA-N 425.832 4.142 5 20 IIBD Cc1ccc2oc(-c3noc(-c4nn(-c5ccccc5[N+](=O)[O-])c(C)cc4=O)n3)cc2c1 445777935 RHLIKWPUHZVWMO-UHFFFAOYSA-N 429.392 4.221 5 20 IIBD Cc1c(C)n(Cc2ccccc2)c2ncnc(NC(=O)Cc3ccc([N+](=O)[O-])cc3F)c12 445942395 SGQWOORPMQCZLV-UHFFFAOYSA-N 433.443 4.325 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N1CCSC[C@H]1c1ccc(Cl)cc1 446896836 RNZMURIRPLNLFF-KRWDZBQOSA-N 431.905 4.124 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(F)ccc2OC(F)F)c(C(F)(F)F)c1 446991629 YLFWUXWTOACLHM-UHFFFAOYSA-N 430.282 4.155 5 20 IIBD C[C@@H](CNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Oc1cccc(F)c1 460501497 FWLOBTUFTJEXLF-NSHDSACASA-N 432.395 4.429 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)cc1OC 462350272 AKWGLVBFEIROMZ-CTYIDZIISA-N 449.301 4.441 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(CS(=O)(=O)NC(C)(C)C)c1 462500377 IGMFFOMIOSEFNU-GOSISDBHSA-N 447.557 4.020 5 20 IIBD C[C@@H]1C[C@@H](c2cccc(F)c2)N(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 462729403 PMGOPJOKGFTFJO-DIFFPNOSSA-N 443.294 4.268 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C 464714075 AQTZJDOZVLQJBC-UHFFFAOYSA-N 433.390 4.377 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N[C@@H](c1ccccc1)c1cccc(Cl)c1 465024520 DXIOIAZXCFQSOM-QHCPKHFHSA-N 438.867 4.468 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1CCc2ncnc(O)c2C1 466439075 POXUANKJYPNUTR-UHFFFAOYSA-N 442.884 4.094 5 20 IIBD Cc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 470229801 GJZPFEFPKXTNDX-SFHVURJKSA-N 435.402 4.474 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 472565483 PXWDXQDCGNXDGB-MRXNPFEDSA-N 426.231 4.343 5 20 IIBD CCc1[nH]nc(C(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)c1[N+](=O)[O-] 473691377 QTUVKDHOHZGFMF-UHFFFAOYSA-N 427.288 4.009 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OC(C)C)cc2Cl)cc1OC 474403982 SUTYCBFRZVZJHT-UHFFFAOYSA-N 438.864 4.322 5 20 IIBD COc1c(C(=O)Nc2ccccc2CN(C)C(=O)c2cccs2)cccc1[N+](=O)[O-] 476073754 SDRUUWHWBCWLAU-UHFFFAOYSA-N 425.466 4.189 5 20 IIBD Cn1c([C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)nc2ccccc21 481411701 YHCJOKXTJMBMJO-JOCHJYFZSA-N 449.898 4.453 5 20 IIBD Cc1ccc(C)c(N2CCN(C(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)CC2)c1 482066419 ZRKCROTTZLZAGJ-UHFFFAOYSA-N 447.539 4.036 5 20 IIBD CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])c1 482909799 WXOKZWPQPUKMSU-ZDUSSCGKSA-N 431.514 4.240 5 20 IIBD CSc1cccc(C(=O)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2)c1[N+](=O)[O-] 485501914 GNRLWRBHLFCIOU-GFCCVEGCSA-N 425.432 4.344 5 20 IIBD CSc1cccc(C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c1[N+](=O)[O-] 486226070 DQBFMUOJBUMWIR-OAHLLOKOSA-N 439.459 4.340 5 20 IIBD Cc1cn(-c2ncccc2F)nc1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 486354491 FFDJWHCHMDKFKJ-UHFFFAOYSA-N 447.426 4.454 5 20 IIBD CCOc1ccccc1C1=CCN(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)CC1 486871354 YJUOWAHAAHHCOA-UHFFFAOYSA-N 439.468 4.410 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc1[N+](=O)[O-] 487817011 KVIBNXOUFJKWQI-NEPJUHHUSA-N 427.427 4.400 5 20 IIBD Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1[N+](=O)[O-] 488037764 GWQUYRRKYLUIJK-DOTOQJQBSA-N 428.464 4.164 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 488478923 DRUZSOFEGYLNOB-UHFFFAOYSA-N 431.514 4.114 5 20 IIBD C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 488509453 DHAYWWJGLOWVGW-VQIMIIECSA-N 431.920 4.044 5 20 IIBD CCOc1cc(C(=O)N(C)C)ccc1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 488818159 GPCJIDIFZXVEFB-UHFFFAOYSA-N 440.481 4.071 5 20 IIBD C[C@H](Sc1ccc(Br)cc1)C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 490361407 DUKXZKGWVOXYRE-JTQLQIEISA-N 448.302 4.262 5 20 IIBD CCn1c(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)nc2ccc(F)cc21 491001398 PNCRNQRYVFIIAR-UHFFFAOYSA-N 436.447 4.217 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@H]3CCC[C@H]3OCc3ccccc3)cc2)c(C)c1[N+](=O)[O-] 491188925 RVWJKFUZSYEBJG-XZOQPEGZSA-N 448.523 4.324 5 20 IIBD CCc1cnc(CN(C)[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)s1 494889307 BFXGYDUORJLSJT-GFCCVEGCSA-N 431.543 4.196 5 20 IIBD CC(C)c1ccc([C@@H]2CCCCN2C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 497475077 WJCMJPDXFVWZCH-QFIPXVFZSA-N 438.528 4.271 5 20 IIBD CC[C@H](C)Sc1ccc(NC(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c(C)c1 498748944 YRGZKKTZVGQATK-AWEZNQCLSA-N 431.514 4.171 5 20 IIBD Cc1nn(CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)c2ccc([N+](=O)[O-])cc12 502897781 AANDBAJBKUAQCB-HSZRJFAPSA-N 432.505 4.489 5 20 IIBD COc1cc(CN2CCO[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F 507351483 DIEHKNQKSBSVSS-IBGZPJMESA-N 444.381 4.257 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N(Cc1ccccc1F)C1CC1 508760257 BKWQPNUYSUHPRQ-UHFFFAOYSA-N 440.212 4.143 5 20 IIBD O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@@H](OCc2ccncc2)C1 509078119 GNMOZZUFQHFKRS-OAQYLSRUSA-N 432.480 4.033 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C 509452742 LHOHBDCIAJNQBU-XAGWURHQSA-N 428.270 4.301 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCCc2cccc(OC)c2)c([N+](=O)[O-])c1 510095657 PTUHJDQADVFJKJ-UHFFFAOYSA-N 434.448 4.276 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N(C)CCc2nccs2)cc1[N+](=O)[O-] 511091955 RFTMTCJRUJOXAK-UHFFFAOYSA-N 441.534 4.319 5 20 IIBD CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 511788009 PNHCWWNWMBJDML-HSZRJFAPSA-N 436.556 4.226 5 20 IIBD C[C@H]1CN(CC2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)C[C@H](C)O1 512181651 PLBRPMCRTKWCMG-IRXDYDNUSA-N 430.574 4.040 5 20 IIBD CCN(C(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-])c1ccccc1OC 512434144 UNLBACRJRKCUOV-UHFFFAOYSA-N 443.481 4.314 5 20 IIBD COC(=O)c1c(F)cc(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1F 512572460 HJOCSSAZIQXCDY-BETUJISGSA-N 447.438 4.394 5 20 IIBD CN(C)S(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])s3)nc2c1 513858048 UIYSNJMXQPYCAH-UHFFFAOYSA-N 428.495 4.117 5 20 IIBD CCOc1cc(Br)c(NC(=O)c2cc(OC)ccc2[N+](=O)[O-])cc1OCC 516338213 BRVWDDGQANHWQM-UHFFFAOYSA-N 439.262 4.416 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)s1 520216410 DEXSHXZWEKBCPI-UHFFFAOYSA-N 449.554 4.237 5 20 IIBD COc1cc(OCC(=O)Nc2ccnn2Cc2cccc3ccccc23)ccc1[N+](=O)[O-] 520592442 PJGHLFNKQWUZBH-UHFFFAOYSA-N 432.436 4.019 5 20 IIBD O=[N+]([O-])c1cc2c(c(C[S@](=O)Cc3csc(-c4ccccc4F)n3)c1)OCOC2 521585649 FHZRICCBGWMTSI-LJAQVGFWSA-N 434.470 4.173 5 20 IIBD CCOC(=O)[C@H]1CCCCN1C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 523071097 UBETULVGPXYHMF-CQSZACIVSA-N 435.527 4.069 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCC[C@@H](CNC(=O)C(C)C)C2)cc1[N+](=O)[O-] 523846427 IWALUFFJMYAIBR-KRWDZBQOSA-N 435.590 4.357 5 20 IIBD CC(C)c1ccccc1-n1c(SCCn2cc([N+](=O)[O-])cn2)nnc1-c1cccnc1 525600227 MHSRVKHEXKQCMN-UHFFFAOYSA-N 435.513 4.350 5 20 IIBD O=[N+]([O-])c1cc2c(O)ncnc2cc1N1CCCN(c2ccc(Cl)c(Cl)c2)CC1 525832599 MEYDLCZEFDMJPE-UHFFFAOYSA-N 434.283 4.267 5 20 IIBD COc1ccc(CC(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)cc1[N+](=O)[O-] 531536686 DIAHWRBOWLACRV-UHFFFAOYSA-N 435.210 4.371 5 20 IIBD C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 533057775 OGXWSLGDLVFKOM-MJGOQNOKSA-N 431.496 4.170 5 20 IIBD CC(C)(C)C1=CCN(C(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 534005281 PASVOHNLTSDEJR-UHFFFAOYSA-N 443.525 4.214 5 20 IIBD CCOc1cc(CNc2ccc3[nH]ncc3c2)ccc1OCCn1c([N+](=O)[O-])cnc1C 534466295 KMPULLKYUQCHMB-UHFFFAOYSA-N 436.472 4.066 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCN(c2ccc(F)cc2Cl)CC1 534572574 NWAQSUBFQOJSPE-UHFFFAOYSA-N 449.913 4.296 5 20 IIBD Cc1ccc([C@H](C)NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] 535378591 RFORUQZELSGITI-PGICJIBASA-N 433.867 4.093 5 20 IIBD O=C(NCc1nccn1CCCc1ccccc1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 539482809 NKZPMHBXPBTBPM-UHFFFAOYSA-N 441.491 4.416 5 20 IIBD O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 540587805 PWOANVWNYKMCAJ-UHFFFAOYSA-N 444.422 4.258 5 20 IIBD Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)nn1-c1ccccc1Cl 540792314 TTWYQLQEOULGJW-UHFFFAOYSA-N 437.843 4.308 5 20 IIBD Cc1cc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nn1-c1ccc(Cl)cc1 540857166 BGJJHOSKTIJLHW-UHFFFAOYSA-N 440.887 4.426 5 20 IIBD CC[C@@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])Oc1ccccc1C(F)(F)F 542121797 BOQAENHORXMUGT-JTQLQIEISA-N 438.449 4.348 5 20 IIBD COCC(=O)N1CCc2c(NC(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)cccc21 542583484 JDXMAPRLIGJOLI-UHFFFAOYSA-N 446.463 4.126 5 20 IIBD CCc1c(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cnn1-c1ccc(Br)cc1 543858789 YCQDMQPYOVWJPG-UHFFFAOYSA-N 445.273 4.366 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)c1 544639488 JPLULYWPLBSFPL-UHFFFAOYSA-N 439.921 4.146 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)NCc3nnc(C(C)C)n3C)cc2[N+](=O)[O-])cc1 544648109 SISDAGWKAAIDEG-UHFFFAOYSA-N 425.514 4.236 5 20 IIBD CCO[C@@H]1C[C@H](NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@@]12CCCO2 544709801 JSBPUOCSDXKTPE-ARNLJNQMSA-N 448.523 4.264 5 20 IIBD Cn1c(SCc2ccccc2OCC(F)(F)F)nc2cc([N+](=O)[O-])ccc2c1=O 545817360 QNTFJDXLEGALCB-UHFFFAOYSA-N 425.388 4.075 5 20 IIBD Cn1ccnc1[C@H](Nc1ccc(NC(=O)CC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 549407749 JMMCDDQOZAWHTB-GOSISDBHSA-N 433.390 4.421 5 20 IIBD Cc1ccc([C@@H](NCc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@@H](C)S(C)(=O)=O)cc1 549674260 MZKNXVRGQONHKI-ACJLOTCBSA-N 430.448 4.186 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1Cc2cnn(-c3ccccc3)c2C1 549685692 MVVJFNNKABKKEM-UHFFFAOYSA-N 425.317 4.350 5 20 IIBD Cc1c(CNC(=O)C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 550439300 QJPBLAPPKUHNMG-NRFANRHFSA-N 437.883 4.079 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)cc1 551778349 DBCGRGOVTFINMU-OALUTQOASA-N 442.459 4.313 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C3)cs1 552834251 SOPVWMDTQMZBOK-UHFFFAOYSA-N 428.539 4.109 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1)c1cccc([N+](=O)[O-])c1 555226277 AXFYNAKYKQWDMC-LLVKDONJSA-N 430.873 4.188 5 20 IIBD C[C@@H](CN[C@@H](c1cccc([N+](=O)[O-])c1)c1nccn1C)Oc1ccc(Br)cc1 556870724 IKWAUJCHTPIVJQ-LIRRHRJNSA-N 445.317 4.237 5 20 IIBD NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 557697024 KPLLFORZEXZQBF-HUUCEWRRSA-N 429.420 4.009 5 20 IIBD CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br 557762612 XUKHAIJVNZMFHH-MDASCCDHSA-N 433.302 4.438 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(c3nc4ccccc4s3)CC2)c1 558829440 MHYCMJJEZXDQIA-UHFFFAOYSA-N 426.498 4.002 5 20 IIBD CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 559371957 SIBALNMEZHDJPN-KRWDZBQOSA-N 442.535 4.031 5 20 IIBD Cn1ccnc1[C@@H](NCc1cccc(NC(=O)c2ccccc2)c1)c1cccc([N+](=O)[O-])c1 560531469 IKBVKBCTYYVSQA-QHCPKHFHSA-N 441.491 4.460 5 20 IIBD CCN(CC)CC(=O)Nc1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 561720502 QTJAFIGIWCODCP-UHFFFAOYSA-N 426.498 4.342 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)Cc2ccc(F)c(Br)c2)c1 568112939 CIHWSPGOCXCTTD-LLVKDONJSA-N 425.254 4.256 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(-c3ccc(Oc4cccnc4)cc3)no2)c1N1CCOCC1 573730924 YFWZTOMHEWAEAQ-UHFFFAOYSA-N 445.435 4.336 5 20 IIBD C[C@H](C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 583299772 PFGSFPLORBJRGM-QEEYODRMSA-N 449.910 4.069 5 20 IIBD O=[N+]([O-])c1c(N2CCN(Cc3ccc(Br)s3)CC2)ccc2ncccc12 603840153 KSTXCBCCNNHBFN-UHFFFAOYSA-N 433.331 4.289 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 604472344 RNTSJEFPWGSHAJ-AEFFLSMTSA-N 431.920 4.044 5 20 IIBD CC(C)COc1cccc(CNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)c1 608830831 OHJGOUATQYIAFX-UHFFFAOYSA-N 428.876 4.441 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 608965479 YADOBFRMNFIMEJ-LJQANCHMSA-N 447.278 4.301 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CS(=O)(=O)Cc1ccc(OCc2ccc(F)cc2)cc1 609251732 TWXCDTGBWXJDIC-UHFFFAOYSA-N 445.468 4.437 5 20 IIBD Cc1nn(CCC(=O)N2CCC(c3nc(-c4ccccc4)cs3)CC2)c(C)c1[N+](=O)[O-] 609521906 XYXYXQKGZLIONX-UHFFFAOYSA-N 439.541 4.328 5 20 IIBD O=C(Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 609703191 ZDSBAGJSEFQRNB-UHFFFAOYSA-N 449.488 4.443 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H]2CCCN(c3ccc(F)cc3C)C2)cc1[N+](=O)[O-] 609757461 FDGQYQURTOGNJS-GOSISDBHSA-N 447.532 4.069 5 20 IIBD CSc1ccc(NC(=O)[C@H](C)SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cc1 609770777 OPPOQVDOHCMXLY-ZDUSSCGKSA-N 447.538 4.375 5 20 IIBD O=[N+]([O-])c1cccc(-n2nc(-c3ccco3)cc2NS(=O)(=O)c2ccc(F)cc2F)c1 609831331 ZUYJYZWVSIIFQE-UHFFFAOYSA-N 446.391 4.120 5 20 IIBD O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 609873976 CLKQCVUKHPTOLX-UHFFFAOYSA-N 442.686 4.153 5 20 IIBD CN(Cc1ccccc1NC(=O)CCOc1ccccc1[N+](=O)[O-])C(=O)c1cccs1 609981635 QVKJSAKSLWUHDL-UHFFFAOYSA-N 439.493 4.336 5 20 IIBD CC(=O)N[C@H]1Cc2ccccc2N(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 610977376 HGIUPESJUFCNNJ-FQEVSTJZSA-N 430.464 4.046 5 20 IIBD CS(=O)(=O)c1ccc2nc(-c3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)[nH]c2c1 611145868 WIEHEVFBCVFUGU-UHFFFAOYSA-N 427.413 4.473 5 20 IIBD COc1cc(CNc2cnc3c(c2)c(C)nn3C)c([N+](=O)[O-])cc1OCc1ccccc1 611543675 SSEMBNCIPRLEIN-UHFFFAOYSA-N 433.468 4.385 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@](C)(CO)c1cccc(C(F)(F)F)c1 619638809 CYUSQUUZAFPMJE-SFHVURJKSA-N 427.379 4.042 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OCc2ccccc2OC(C)C)ccc1[N+](=O)[O-] 726675110 PUZYXXPVTFAVMA-HXUWFJFHSA-N 426.469 4.038 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCCOc2ccc(Br)cc2)cc1SC 728650569 IRNGKNJGFYZHTI-UHFFFAOYSA-N 442.287 4.324 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C 729667087 LJDCFEPIVIYEPK-UHFFFAOYSA-N 447.513 4.392 5 20 IIBD O=C(OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1ccc(-c2ccccc2F)o1 730703059 GQMRLHPNJZBNGV-HNNXBMFYSA-N 438.411 4.456 5 20 IIBD NC(=O)c1ccc(SCC(=O)O[C@H](c2cncc(F)c2)C2CCCCC2)c([N+](=O)[O-])c1 731776030 UFCHDTCTKAMPAU-FQEVSTJZSA-N 447.488 4.185 5 20 IIBD O=[N+]([O-])c1ccc(I)c(-c2nc(Cc3ccccc3Cl)no2)c1 731795289 COWUVUJSXXDOHV-UHFFFAOYSA-N 441.612 4.494 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCC[C@@H](N2CCCCC2=O)C1 732771522 FNJHNNCXNYLQOJ-GOSISDBHSA-N 439.537 4.363 5 20 IIBD Cc1c(NC(=O)[C@H](C)ONC(=N)c2ccccc2OCc2ccccc2)cccc1[N+](=O)[O-] 733305602 FBXPHFWYWGDAGZ-KRWDZBQOSA-N 448.479 4.356 5 20 IIBD CC(C)(C)C(=O)Nc1ccccc1C(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 733502448 UGTZEFAGPZBFIG-UHFFFAOYSA-N 433.848 4.028 5 20 IIBD O=C(COC(=O)C1(Sc2ccccc2)CCCC1)N1CCc2ccc([N+](=O)[O-])cc21 733557198 YFWGKVWIFOAAKI-UHFFFAOYSA-N 426.494 4.132 5 20 IIBD C[C@@H](Oc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 734415729 GECXRKNFNWKVLM-CQSZACIVSA-N 443.437 4.444 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)/C(=C\c1ccco1)NC(=O)c1ccccc1 739747369 XYMSZQDCDAUFMA-OQKWZONESA-N 433.464 4.098 5 20 IIBD CC(C)(C(=O)OCC(=O)NCc1ccccc1OC1CCCC1)c1ccc([N+](=O)[O-])cc1 740392049 RDMKZCORONFKLJ-UHFFFAOYSA-N 440.496 4.053 5 20 IIBD C[C@@H](OC(=O)C1CCN(Cc2ccccc2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 741330032 IRELHQLGDSRRCP-OAHLLOKOSA-N 445.903 4.031 5 20 IIBD CS(=O)(=O)c1cccc([C@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc(F)cc2)c1 742421170 JMUHCFLBMDDWKR-HXUWFJFHSA-N 445.428 4.247 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3ccc(OC)cc3Cl)CC2)ccc1[N+](=O)[O-] 744204784 UGGHKOLUHCNUNC-UHFFFAOYSA-N 434.876 4.481 5 20 IIBD COc1ccc(COC(=O)[C@@H](C)CC(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] 745227000 RGJDLHJIQFPLRR-LBPRGKRZSA-N 436.258 4.318 5 20 IIBD Cc1c(C(=O)OCc2nc(-c3ccc(Cl)cc3)no2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748948027 AHXNGWAIOLJSTO-UHFFFAOYSA-N 432.776 4.180 5 20 IIBD Cc1ccc(-c2nnc([C@H](C)OC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)o2)cc1 748950016 YBDYVYUXDSMXIJ-ZDUSSCGKSA-N 426.385 4.396 5 20 IIBD C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CCN1Cc1ccccc1 750876408 LHUYHAZHGMXBJM-TZIWHRDSSA-N 436.556 4.368 5 20 IIBD CN(Cc1ccccc1)Cc1cccc(C(=O)OCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 751779696 HKIFNSDGWPWDNK-UHFFFAOYSA-N 447.491 4.047 5 20 IIBD O=C(CCCCc1ccc(Cl)c(Cl)c1)NS(=O)(=O)c1cc([N+](=O)[O-])cs1 753550079 BGWACRRZMVZOET-UHFFFAOYSA-N 437.326 4.181 5 20 IIBD C[C@H](C(=O)Oc1ccc(-c2noc([C@H]3CCCO3)n2)cc1)c1ccc([N+](=O)[O-])cc1F 754239745 ZZDGGIUTFLIMEA-KPZWWZAWSA-N 427.388 4.345 5 20 IIBD C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)COCc1ccccc1 754995258 ZMLZVQYMRGZRHK-GFCCVEGCSA-N 425.254 4.079 5 20 IIBD COc1ccc(C(=O)[C@@H](C)OC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1Cl 758424482 JDLAJOVDHGUXES-GFCCVEGCSA-N 443.843 4.086 5 20 IIBD Cc1sc2nc([C@@H](C)OC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)nc(O)c2c1C 758733838 XULICTCQNWUVOD-SNVBAGLBSA-N 426.454 4.250 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Oc2ccc(-c3c(C)noc3C)cc2)cc1OC 759878152 CILVLBIRFOPFIP-UHFFFAOYSA-N 442.424 4.120 5 20 IIBD O=C(CCc1nc(-c2ccc(Cl)cc2)no1)O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 759946527 IZZONBCIVHUNHE-HOTGVXAUSA-N 445.863 4.154 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 769122798 VPPFAIFJHNBQOY-HNNXBMFYSA-N 432.546 4.455 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H]1C[C@H](O)c1cccs1 771004479 IDDNEEIITKBSCK-HIFRSBDPSA-N 425.304 4.147 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCOC[C@@H]1C[C@H](O)c1cccs1 771767102 VYOBOUBZIOQKEM-WFASDCNBSA-N 445.419 4.032 5 20 IIBD O=C(Nc1ccc(OC(=O)[C@H](O)Cc2ccccc2Cl)cc1)c1cccc([N+](=O)[O-])c1 771936502 BFXLEEOUCYVIAQ-HXUWFJFHSA-N 440.839 4.010 5 20 IIBD Cc1cccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c1C 772468518 DZFWHHOTVCFJKX-UHFFFAOYSA-N 425.485 4.243 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCc2cccc(NC(=O)OC(C)(C)C)c21 773020575 KKWUOWQQBMXOCZ-UHFFFAOYSA-N 447.513 4.310 5 20 IIBD Cn1cc(C(=O)Oc2cc(Cl)cnc2Br)c(-c2ccc([N+](=O)[O-])cc2)n1 775507855 PJVOKMVSYCDRFM-UHFFFAOYSA-N 437.637 4.025 5 20 IIBD O=C(O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 776131144 CNGFESRNTVWJSU-OAQYLSRUSA-N 445.391 4.030 5 20 IIBD COc1ccc(C2(C(=O)OCc3nc4cc([N+](=O)[O-])ccc4o3)CCCC2)cc1OC 777216811 ULKXMHXXUFUEDY-UHFFFAOYSA-N 426.425 4.308 5 20 IIBD C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 777905548 JLZAZFJQNANFTR-CQSZACIVSA-N 446.479 4.202 5 20 IIBD Cc1noc(-c2cc(Cl)ccc2OS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)n1 778079547 YIHQUGPHLVCQMN-UHFFFAOYSA-N 444.252 4.336 5 20 IIBD Cc1ccc(C(=O)O[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)cc1NC(=O)c1ccco1 778784519 BRSCOMOJTNIETA-LJQANCHMSA-N 435.436 4.184 5 20 IIBD C[C@@H](c1ccccc1Br)N(C)C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781604940 WNOQNCGYHOTRJQ-LBPRGKRZSA-N 436.262 4.418 5 20 IIBD O=C(Oc1cc([N+](=O)[O-])ccc1I)[C@H]1SCCc2sccc21 782664478 INTYRFQAUXVAKW-ZDUSSCGKSA-N 447.275 4.197 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@H](Oc3ncccc3F)C2)CC1 785575041 CQGSGESBWQUBEB-SFHVURJKSA-N 442.491 4.049 5 20 IIBD COc1ccccc1/C=C(/C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 785586247 CPJIPTXHHZYUDD-HEHNFIMWSA-N 432.480 4.204 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1 788958891 NJOSJFLVUXSVCO-QGZVFWFLSA-N 448.451 4.179 5 20 IIBD Cn1cc(CN2CCC(COc3ccc(Cl)nc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 789756250 DNODJGKAAKPRJX-UHFFFAOYSA-N 441.919 4.335 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccc(Br)cn1 794165485 UCDOFSBWXPCUEY-ZDUSSCGKSA-N 433.306 4.234 5 20 IIBD O=C(NCc1ccccc1)c1nnc(COc2cc(Cl)c(Cl)cc2[N+](=O)[O-])s1 794496576 LOCRKRMGHNNBCV-UHFFFAOYSA-N 439.280 4.262 5 20 IIBD Cc1cc(C)cc([C@H](O)CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 801536704 PQERBUZGBVSLCT-UZUQRXQVSA-N 434.496 4.243 5 20 IIBD CC[C@H](C)c1nnc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1Cc1cccs1 802696144 HDRUKMHCBNHFRX-INIZCTEOSA-N 426.546 4.136 5 20 IIBD O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)OCc1c(F)cc([N+](=O)[O-])cc1F 803269246 MJTMUEPMNMOMFR-HNNXBMFYSA-N 428.800 4.073 5 20 IIBD C[C@H](OC(=O)c1cscc1Br)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 803772367 IAKXBXBOKPSOLF-ZETCQYMHSA-N 433.667 4.256 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2cccc(C(=O)Nc3ccccc3)c2)cccc1[N+](=O)[O-] 803906485 FDZKGKNMUMKJJA-INIZCTEOSA-N 447.447 4.340 5 20 IIBD CCN(CC)CCOC(=O)c1cccc(C)c1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] 808826352 CVURWOUKCYDZGA-UHFFFAOYSA-N 433.892 4.308 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccc(N2CCCCC2=O)cc1 811006553 XTGNTAIFICWEOI-ZDUSSCGKSA-N 446.301 4.365 5 20 IIBD Cc1cc(=O)c(C(=O)OCc2cc(Cl)cc(Cl)c2)nn1-c1ccccc1[N+](=O)[O-] 811037982 UIVLHHFQSOJJRC-UHFFFAOYSA-N 434.235 4.113 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC=C(c2cccc(Cl)c2)CC1 812078856 MIBCFOBRHOMFPM-UHFFFAOYSA-N 439.903 4.447 5 20 IIBD Cc1cccc([C@H](CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])N2CCOCC2)c1 812908762 PVAFHZMDRSGVOX-SFHVURJKSA-N 438.311 4.013 5 20 IIBD O=C(O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)c1csc(Cc2ccc(F)cc2)n1 813172861 PBJGPMSIUJFNET-IBGZPJMESA-N 441.484 4.213 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 814429602 WUANPFVNBFXFOD-IRXDYDNUSA-N 447.532 4.103 5 20 IIBD COc1ccc2cc(CN(C)C(=O)[C@@H](C)OC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)ccc2c1 822396951 PWFMWBZMNJMFAU-KYTCBBFDSA-N 448.475 4.360 5 20 IIBD C[C@@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)ccc1F 853791504 QWUMZIWYTCWNBF-MRVPVSSYSA-N 445.628 4.334 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])cn1)O[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 913302209 QYPMHTUSIVCDOW-SFHVURJKSA-N 449.250 4.021 5 20 IIBD CCOc1cc(CN(C)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)ccc1OC(F)F 914737352 AZOVZCWHXADCBS-UHFFFAOYSA-N 439.371 4.084 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=S)N[C@@H](C)c1ccccc1 915998329 XMPYAIVVYHJMNO-HNNXBMFYSA-N 425.514 4.491 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)[C@H]1Cc2ccccc2S1)c1cccc([N+](=O)[O-])c1 918632582 JJURNMSUOMYZSJ-GHTZIAJQSA-N 440.521 4.240 5 20 IIBD COc1ccccc1Oc1ccc(NS(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])cc1F 919961670 JRXUWOHRNHMDHQ-UHFFFAOYSA-N 436.392 4.475 5 20 IIBD O=[N+]([O-])c1cccc(/C(O)=C(/C(=S)Nc2ccc3c(c2)CCC3)[n+]2cccc(O)c2)c1 920396317 YUTSDKSXMHKGSD-UHFFFAOYSA-O 434.497 4.400 5 20 IIBD O=C(COC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccc(Br)s1 1320827582 CADCGZPSMINMOO-UHFFFAOYSA-N 449.076 4.221 5 20 IIBD O=C(CCc1nc(-c2ccccc2)no1)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 1324022033 DHDBPFKEAITASA-UHFFFAOYSA-N 436.449 4.444 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(-c2nnn(-c3ccc4ncccc4c3)c2C)n1 1342550435 UWUKTVCDNIUUKU-UHFFFAOYSA-N 427.424 4.366 5 20 IIBD CC(C)[C@@]1(CO)CCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 1343483654 GGWBTAFJDSMXRE-IRLDBZIGSA-N 431.920 4.268 5 20 IIBD O=C(CC1CCCC1)N1CCC2(CCCN(C(=O)Cc3cc([N+](=O)[O-])ccc3F)C2)CC1 1806655242 GSMADJWDIJDGQI-UHFFFAOYSA-N 445.535 4.088 5 20 IIBD C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc([N+](=O)[O-])o2)n[nH]1)c1ccccc1 1814313469 MGFPHXPZHLYVJU-WMLDXEAASA-N 437.456 4.021 5 20 IIBD Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3CCCCC3)CC2)ncc1[N+](=O)[O-] 1826283059 VENHKVWDMGVRMR-OAQYLSRUSA-N 442.560 4.112 5 20 IIBD CC(C)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1826339731 XDNDQFBMINBSGZ-QFIPXVFZSA-N 429.561 4.193 5 20 IIBD C/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)CC1 1831334374 KFOFKNBWXRTUKI-NAASZUNDSA-N 433.936 4.366 5 20 IIBD CC(C)(Cc1ccccc1)C(=O)N1CCCC12CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])C2 1841292751 CQCDKSAHJBYDRT-BUHFOSPRSA-N 447.535 4.080 5 20 IIBD COc1ccc(C(=O)C2CCN([C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CC2)cc1 14325658 ADRFPAWOSIVZJI-CQSZACIVSA-N 445.903 4.179 5 20 IIBD COc1ccc(C(=O)C2CCN([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cc1 14326931 NLOVUCVPMOZVMS-OAHLLOKOSA-N 436.468 4.309 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1 15628144 XTWYTUCTSJGUAT-UHFFFAOYSA-N 438.436 4.452 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)c1 16196934 WQGKUGRQMNMSKD-CYBMUJFWSA-N 430.482 4.339 5 20 IIBD C[C@H](OC(=O)c1cn(C)c2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 17206365 AKIZUZMDOLVWFG-NSHDSACASA-N 435.358 4.289 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cc(F)c(Cl)cc1Cl 17750793 HKZHEGJSVNKTJA-MRVPVSSYSA-N 431.203 4.233 5 20 IIBD C[C@@H](OC(=O)c1cc(F)ccc1Br)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 18966453 KRYUZETWYCNLKC-SECBINFHSA-N 436.193 4.464 5 20 IIBD CSc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1[N+](=O)[O-] 22161978 ZOWWNYZSCKYZAO-ZDUSSCGKSA-N 446.481 4.066 5 20 IIBD CN(C)c1ccc([C@@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)c2c[nH]c3ccccc23)cc1 23154274 ZIMRXFYDPVDSJE-HXUWFJFHSA-N 443.507 4.286 5 20 IIBD COc1ccc(NC(=O)CCN2CCC(c3nc4ccccc4s3)CC2)c([N+](=O)[O-])c1 26227627 IXDYYIKDOBEALO-UHFFFAOYSA-N 440.525 4.421 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCC1(N2CCCCC2)CCCCC1 45800266 ITNILCGDFZXUKO-UHFFFAOYSA-N 431.580 4.460 5 20 IIBD O=C(c1ccc(N[C@@H]2CCCc3cc(OC(F)F)ccc32)c([N+](=O)[O-])c1)N1CCOCC1 58555776 RUKJHXNWBCQHSZ-GOSISDBHSA-N 447.438 4.158 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1cc(Br)ccc1Br 65442828 OMALULCOVLVEJK-UHFFFAOYSA-N 443.095 4.484 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccccc3)cs2)cc1OC 105339703 UNPCRGBOSRTHLZ-UHFFFAOYSA-N 429.454 4.004 5 20 IIBD CC(C)n1cnnc1[C@@H]1CCCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 301974048 AIFHNMMVZZYJDC-LLVKDONJSA-N 428.371 4.078 5 20 IIBD Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NCc3c(Cl)cccc3[N+](=O)[O-])cc21 409843324 HJKVXINRUAXEES-UHFFFAOYSA-N 429.908 4.041 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCO[C@@H](c2ccc(F)cc2)C1 426283389 NNWPBPWINMHMKL-QGZVFWFLSA-N 427.354 4.036 5 20 IIBD CCN(CC)CCN(CCC(F)(F)F)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 427452021 YDTAXYYOCAGSMK-UHFFFAOYSA-N 447.501 4.278 5 20 IIBD O=C(Nc1cccc(-c2noc(C(F)(F)F)n2)c1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 428248377 QEWVNDIPYVDRNO-UHFFFAOYSA-N 445.313 4.170 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C 428777312 ICYBHNSJFVZDFI-IFXJQAMLSA-N 437.418 4.323 5 20 IIBD O=C(NCc1ccnc(OC2CCCCC2)c1)c1ccc(Br)cc1[N+](=O)[O-] 429788698 PIOUERKHQYCJKH-UHFFFAOYSA-N 434.290 4.394 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 430025143 IFDOFGALFNOSQO-MRXNPFEDSA-N 443.294 4.163 5 20 IIBD CCn1c(SCC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)nnc1-c1cccs1 430527860 WBEWCDFXEWWFON-UHFFFAOYSA-N 431.543 4.078 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 430638164 CHSODKGXVAYCBA-TXPKVOOTSA-N 431.920 4.185 5 20 IIBD COc1cc(OCC(=O)N2CCC[C@@H]2c2ccc(Br)c(C)c2)ccc1[N+](=O)[O-] 431132576 MRCLTPJVVWIYAK-QGZVFWFLSA-N 449.301 4.417 5 20 IIBD CCOc1ccc2c(c1)CCN(C(=O)c1ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc1)C2 434081862 GTGDJPMQRZYTBZ-UHFFFAOYSA-N 434.496 4.054 5 20 IIBD Cc1cc(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])n([C@@H]2CCN(Cc3ccccc3)C2)n1 435514507 CDMBRSWXIMIYJP-OAQYLSRUSA-N 448.527 4.211 5 20 IIBD COC(=O)c1cc(Br)cc(NC(=O)c2cccc(OC)c2[N+](=O)[O-])c1Cl 435908016 SBWYSQUJGZAQHT-UHFFFAOYSA-N 443.637 4.058 5 20 IIBD CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c1)CCC2 436029636 YIFBTEXRBYVDOE-IBGZPJMESA-N 435.480 4.179 5 20 IIBD COc1cccc(C(=O)N2CCc3c(Br)ccc(Cl)c3C2)c1[N+](=O)[O-] 436041273 UFFQITNRICGFCP-UHFFFAOYSA-N 425.666 4.218 5 20 IIBD COc1cc(OCC(=O)NCc2ccnc(Oc3cccc(C)c3C)c2)ccc1[N+](=O)[O-] 437130855 KDANSMYYOULQKW-UHFFFAOYSA-N 437.452 4.103 5 20 IIBD CCCOc1cc(NC(=O)C(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)c([N+](=O)[O-])cc1OCCC 442376070 MUTVJGBVJPMBMU-IXDOHACOSA-N 447.532 4.196 5 20 IIBD COc1cc(Br)c(C(=O)COc2ccc([N+](=O)[O-])cc2Cl)cc1OC 442908029 KUEFEOFEZKGAKG-UHFFFAOYSA-N 430.638 4.290 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 446002895 NXIZWVOTILGTMN-IAGOWNOFSA-N 437.418 4.487 5 20 IIBD Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 446123561 UKZVVCHXUAZARG-UHFFFAOYSA-N 448.317 4.233 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CC=C(c3ccc(F)cc3)CC2)c(C(F)(F)F)c1 446949983 KKERBMMKROVJMM-UHFFFAOYSA-N 430.379 4.231 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNc3cnn(Cc4nnc5n4CCCC5)c3)s2)cc1 447103554 XHOLJMHZFJJFSD-UHFFFAOYSA-N 435.513 4.108 5 20 IIBD COc1ccc(NC(=O)CSc2ccc(Br)cc2[N+](=O)[O-])cc1OC 447356502 SPMQARTVRYNTEA-UHFFFAOYSA-N 427.276 4.105 5 20 IIBD O=[N+]([O-])c1ccccc1CN(c1nnc(-c2ccccc2F)n1C[C@H]1CCOC1)C1CC1 461659546 GEJYYKMORDFYBJ-MRXNPFEDSA-N 437.475 4.198 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCc4sccc4C3)n2C[C@H]2CCCCO2)c1 461865673 JTVAPSIBIPJFMW-GOSISDBHSA-N 425.514 4.047 5 20 IIBD C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[C@H]1c1ccccc1 462411357 CQVCPUACJHNRLQ-CZUORRHYSA-N 439.331 4.172 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C 462415292 GNIDWDRCAGNTDU-OXQOHEQNSA-N 426.904 4.456 5 20 IIBD CCCCS(=O)(=O)Nc1ccc(NC(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)cc1 462994966 VVPIBHZQEUFYNL-QGZVFWFLSA-N 433.530 4.344 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCc3cccc(Br)c32)c2ncccc12 463526077 DVXFGRZYEIEUAY-UHFFFAOYSA-N 448.298 4.047 5 20 IIBD Cc1ccc(NCCCNC(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)c([N+](=O)[O-])c1 464071619 QZXYKBFWARBVBZ-UHFFFAOYSA-N 430.480 4.259 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(C3CC3)nn2-c2ccccc2)c2ncccc12 464423430 ZUSLOFHBZQYQBP-UHFFFAOYSA-N 435.465 4.007 5 20 IIBD COC(=O)COc1ccc(CNc2ncc(Cc3ccc(F)c(F)c3)s2)cc1[N+](=O)[O-] 473487758 BRKVOGJEVLDNNY-UHFFFAOYSA-N 449.435 4.084 5 20 IIBD COc1cc(CCNC(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)c([N+](=O)[O-])cc1OC 476985795 DFCWVDZNIMETHD-VAMGGRTRSA-N 439.512 4.132 5 20 IIBD Cc1cc(OCC(=O)NCc2cccc(COCc3ccco3)c2)c(F)cc1[N+](=O)[O-] 478904435 GBNLNOKHNRNIRP-UHFFFAOYSA-N 428.416 4.047 5 20 IIBD COc1ccc(CN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)c2nccs2)c(OC)c1 479168321 GRFHDPFDPTVNQU-UHFFFAOYSA-N 443.481 4.233 5 20 IIBD CC[C@H](C)[C@H](NCc1ccc([N+](=O)[O-])cc1F)C(=O)Nc1cccc(N2CCCC2)c1 479951414 AIMQOOXXMCVSBG-AOMKIAJQSA-N 428.508 4.477 5 20 IIBD Cc1c(CNC(=O)c2c(Cl)cccc2I)cccc1[N+](=O)[O-] 481493749 PXHJBYBJZYYSRO-UHFFFAOYSA-N 430.629 4.091 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2OCC(F)(F)F)cc1SC 483410791 KUDMRUQNZJVMIU-UHFFFAOYSA-N 430.404 4.196 5 20 IIBD Cc1nc(-c2ccc(C)c(NS(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])c2)n[nH]1 484604069 KIQJDSZWTVFOAJ-UHFFFAOYSA-N 442.284 4.104 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1COc2ccc(Br)cc21 486701322 RZIOIYTZSFOWPD-AWEZNQCLSA-N 445.191 4.169 5 20 IIBD COC(=O)c1cc(NC(=O)N(C)CCCOc2ccc(Cl)cc2)c(C)c([N+](=O)[O-])c1 486877931 DHCXNPRKWJSFGR-UHFFFAOYSA-N 435.864 4.276 5 20 IIBD COc1c(F)cc(S(=O)(=O)Nc2cccc(COc3ccccc3)c2C)cc1[N+](=O)[O-] 488293195 JECKPATUOIBKBT-UHFFFAOYSA-N 446.456 4.431 5 20 IIBD CCCC(=O)Nc1ccc(Cl)c(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 488959379 ZOPVFJHQLRLSQG-UHFFFAOYSA-N 434.884 4.052 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCC(O[C@H]2CCOC2)CC1 490904303 UWVZMWAWNHNLJI-SFHVURJKSA-N 428.510 4.156 5 20 IIBD CN(C)[C@@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccc(F)cc1 495076559 AELLFYVSCQHKHB-QHCPKHFHSA-N 437.471 4.346 5 20 IIBD COc1ccc(Br)cc1[C@H]1CCCN1C(=O)COc1cccc([N+](=O)[O-])c1 504856796 HXVXEGMHBCQWCS-QGZVFWFLSA-N 435.274 4.108 5 20 IIBD CCOc1ccc([C@H](C)NCc2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)cc1[N+](=O)[O-] 504905718 MUJVJUJSNXFCEN-OTWHNJEPSA-N 427.545 4.454 5 20 IIBD COc1ccc(CC(=O)NCc2ccc(-c3nc(-c4cccc([N+](=O)[O-])c4)no3)cc2)cc1 504981623 VUUSUYYNIMKQTI-UHFFFAOYSA-N 444.447 4.179 5 20 IIBD CCOc1cc(CNC2[C@H](C)CCC[C@H]2C)ccc1OCCn1c([N+](=O)[O-])cnc1C 507946820 ATOBHXOKRUXUIC-IAGOWNOFSA-N 430.549 4.492 5 20 IIBD COc1cc(CN2CCC(Cc3cccnc3)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F 508691299 MIRAXLRGYHGEAX-UHFFFAOYSA-N 439.434 4.394 5 20 IIBD CS(=O)(=O)c1cccc(N2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] 509530114 XGYGDTVKKRYTQS-QGZVFWFLSA-N 432.395 4.092 5 20 IIBD CCCOc1cc(NC(=O)N2CCCC23CCN(C)CC3)c([N+](=O)[O-])cc1OCCC 509729782 QITNJCUFRASKFH-UHFFFAOYSA-N 434.537 4.265 5 20 IIBD Cc1nc([C@@H](NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c2ccccc2F)no1 510535926 YUKNMEZUNUXYGU-INIZCTEOSA-N 449.236 4.016 5 20 IIBD CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 511788010 PNHCWWNWMBJDML-QHCPKHFHSA-N 436.556 4.226 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCCC2)cc1[N+](=O)[O-] 513428244 DNNNAHKFHLIHNN-LJQANCHMSA-N 436.917 4.313 5 20 IIBD Cn1ccnc1[C@H](NCc1cc(Cl)c2c(c1)OCCCO2)c1cccc([N+](=O)[O-])c1 513666112 JVHHAXIVJUAYME-LJQANCHMSA-N 428.876 4.022 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)c1 513795222 DDOYIWOGHYHYEN-JOCHJYFZSA-N 425.529 4.089 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)CCOc1ccccc1[N+](=O)[O-] 519978347 XVAUKJQICTWNDE-INIZCTEOSA-N 425.485 4.183 5 20 IIBD COC(=O)c1ccc(OC(C)C)c(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 520158832 QLNLFTWOPIVNPQ-GFCCVEGCSA-N 435.864 4.261 5 20 IIBD CCOc1ccc(NC(=O)CNc2ccccc2NC(=O)C[C@@H]2C=CCC2)c([N+](=O)[O-])c1 521678351 UJPHNDXRQKWTQH-MRXNPFEDSA-N 438.484 4.339 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N(Cc2ccc(F)cc2)CC2CC2)ccc1[N+](=O)[O-] 522338202 WIVWOQYVHWOKAD-QFIPXVFZSA-N 439.487 4.086 5 20 IIBD O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@H]1C[C@H]1c1cccc(Br)c1 522359007 LTTVPGUJHBRVNM-HOTGVXAUSA-N 427.258 4.490 5 20 IIBD C[C@H](NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C(=O)NCc1ccccc1 522708657 CUIHWZIZVUEQSN-INIZCTEOSA-N 434.452 4.214 5 20 IIBD O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 523405378 AVRXWWGFYOJBSS-IBGZPJMESA-N 442.490 4.415 5 20 IIBD C[C@@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccc(Oc2ccccc2)cc1 523757230 VEUSTBSBUQMEPR-GOSISDBHSA-N 447.495 4.375 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2cccnc2-c2cnn(C)c2)cc1[N+](=O)[O-])c1ccccn1 527286236 XYBQVDQKUXMDOL-OAHLLOKOSA-N 443.467 4.211 5 20 IIBD CCN1CCN(C(=O)Cc2ccc(NCc3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)CC1 532895247 MOFSSYHDHBCKOE-UHFFFAOYSA-N 448.523 4.174 5 20 IIBD Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N(C)c1cccc([N+](=O)[O-])c1 533147281 IMKVQSLFCQMVSN-UHFFFAOYSA-N 443.301 4.496 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 535699249 MRYLALXPYJDJBQ-UHFFFAOYSA-N 440.525 4.295 5 20 IIBD O=C(CCN1CCCCC1)Nc1cccc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c1 536509883 PLTMWGIBVCOHIU-UHFFFAOYSA-N 435.484 4.143 5 20 IIBD Cc1ccc([C@H](C)NCC(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] 537178577 OZPHGHKLLAJLMR-UONOGXRCSA-N 425.407 4.330 5 20 IIBD CC(C)(C)OC(=O)Cc1cccc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 537569899 LPTYJPZCQVCVEF-UHFFFAOYSA-N 433.892 4.497 5 20 IIBD CCOC(=O)[C@H](c1ccc(Cl)cc1)N(CC)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] 537898578 GVMYZDCOKXBXLX-FQEVSTJZSA-N 433.892 4.121 5 20 IIBD O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1cc(Br)cc([N+](=O)[O-])c1 538048792 FJXWJMJNLKGQDD-HOTGVXAUSA-N 443.656 4.410 5 20 IIBD Cc1nc([C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c2ccc(Cl)cc2)no1 538891785 NDNSKVXIHINHKT-HNNXBMFYSA-N 440.765 4.478 5 20 IIBD C[C@H](N[C@@H](C)c1nc(C(C)(C)C)no1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 541680732 JASISZWUGPDEHT-RYUDHWBXSA-N 444.517 4.077 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)cc1[N+](=O)[O-] 542073716 OZOGFLAGGJZRNK-LBPRGKRZSA-N 435.427 4.175 5 20 IIBD CN(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCO[C@H](c2ccc(F)cc2)C1 542759712 DWQYUMCNTIJPND-ICSRJNTNSA-N 435.883 4.492 5 20 IIBD CN1CCCC12CCN([C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)CC2 543194719 BUKBONPARYPQPL-OAQYLSRUSA-N 442.947 4.488 5 20 IIBD COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1OC(C)C 544846268 NOTWZOTXKIZDAR-UHFFFAOYSA-N 434.392 4.210 5 20 IIBD O=C(CCCc1ccccc1)N[C@@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 553016845 IAGHSASGHQEMKY-LJQANCHMSA-N 435.480 4.085 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1 555045007 VVXIUULBTVLXGI-UHFFFAOYSA-N 444.491 4.349 5 20 IIBD O=[N+]([O-])c1ccccc1Cc1noc([C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)n1 567647909 GBNXZPABUXVVQI-IBGZPJMESA-N 449.294 4.297 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F 569958518 IVPIGTLTFPILRB-LBPRGKRZSA-N 437.216 4.046 5 20 IIBD COc1cc(C(=O)Nc2cccc(SC)n2)c([N+](=O)[O-])cc1OCc1cscn1 578756101 DDIJWWXOIJKTGY-UHFFFAOYSA-N 432.483 4.008 5 20 IIBD CC(C)(C(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F 582758842 PREJWIGEJKQAPM-LJQANCHMSA-N 427.520 4.430 5 20 IIBD C[C@@H](C(=O)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1)c1cccc([N+](=O)[O-])c1 584563920 BKZUKKYQQQQMMY-QGZVFWFLSA-N 434.496 4.134 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(F)c(Br)c1 590193852 VOMJXUMCIICHKK-GHMZBOCLSA-N 440.269 4.183 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1CN(C)C1CCCCC1 591766456 JARMUNGLSQUXHL-QGZVFWFLSA-N 438.528 4.116 5 20 IIBD COc1cc(C(=O)Nc2ncc(Cc3ccc(C)c(F)c3)s2)c([N+](=O)[O-])cc1OC 603569869 NPASJTPOJAEMBQ-UHFFFAOYSA-N 431.445 4.359 5 20 IIBD COC(=O)CN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1)C(C)C 603658979 VHQANSHSDLXCNU-UHFFFAOYSA-N 436.848 4.073 5 20 IIBD CCCOc1ccc(Oc2ncccc2CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)cc1 603927197 ZQRLYBIIWLFBRO-UHFFFAOYSA-N 447.451 4.377 5 20 IIBD O=C(NCc1ccco1)c1cccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 603967178 UBKUDKRPDPUPCH-UHFFFAOYSA-N 435.461 4.263 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@H](c1ccccc1)[C@H]1CCCO1 608807604 HRBKNUOPUZCMJQ-UYAOXDASSA-N 437.418 4.452 5 20 IIBD COc1cc([C@@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2)ccc1OCc1ccncc1 609442225 LFSNHHHXGNCIDC-CQSZACIVSA-N 425.416 4.208 5 20 IIBD O=C(Nc1ccc(Cl)c2ncccc12)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 609498430 HOZHQBQAZAXZCQ-AWEZNQCLSA-N 430.873 4.101 5 20 IIBD Cc1noc(C)c1[C@H](C)NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 609605997 IBCRELMPPIUSND-NSHDSACASA-N 440.422 4.312 5 20 IIBD CC1CCN(c2ccc(C(=O)NC[C@H](c3c(F)cccc3F)N(C)C)cc2[N+](=O)[O-])CC1 609664087 JHQSEWZCLKYGKR-OAQYLSRUSA-N 446.498 4.142 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1nc2cc3c(cc2s1)OCCO3 609722179 JCNLVCNUPIEPTL-UHFFFAOYSA-N 435.845 4.037 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(N2CCc3ccccc3C2)CC1 609730679 GWHQZNOVJZIMKN-UHFFFAOYSA-N 443.931 4.066 5 20 IIBD O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)c1cc(Cl)cc([N+](=O)[O-])c1 609874280 OGFOUGQELJDZBV-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCC(c3ccccc3C(=O)O)CC2)cc1SC 615166895 BINDJAQOZNSPHA-UHFFFAOYSA-N 430.482 4.043 5 20 IIBD Cc1cc(OCC(=O)N(C)CCCc2cc(-c3ccc(F)cc3)no2)ccc1[N+](=O)[O-] 619528297 CWWGCHBPZDUWIG-UHFFFAOYSA-N 427.432 4.167 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2csc(-c3c(F)cccc3F)n2)cccc1[N+](=O)[O-] 726219496 OBWZLLARHLOYOG-NSHDSACASA-N 447.419 4.489 5 20 IIBD C[C@@H](C(=O)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1c(Cl)cccc1Cl 726327056 UQOTYVIMJKNYPW-MRVPVSSYSA-N 437.688 4.164 5 20 IIBD C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 727220670 SQWAUTSLUKJLAV-SNVBAGLBSA-N 438.223 4.462 5 20 IIBD O=C(NCc1ccc(F)cc1)c1ccc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1 727707793 GYOGCIZXYYTVST-UHFFFAOYSA-N 429.354 4.194 5 20 IIBD COc1cc(C(=O)Oc2ccc(NC(=O)c3ccc(F)cc3)cc2)c([N+](=O)[O-])cc1OC 728245678 MITIOMWPUPWUSN-UHFFFAOYSA-N 440.383 4.223 5 20 IIBD CC(C)(C)OC(=O)Nc1cc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)ccc1F 730448135 CGIMNHKSMNBKLJ-UHFFFAOYSA-N 444.463 4.043 5 20 IIBD COc1ccc(CN(C)C(=O)[C@@H](OC(=O)c2c(Cl)cccc2[N+](=O)[O-])C(C)C)cc1 730645396 ZYOKUYALSUUSGT-IBGZPJMESA-N 434.876 4.097 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 731610330 IDLAQTDYYGYNCO-KRWDZBQOSA-N 432.448 4.228 5 20 IIBD C[C@@H](Oc1ccc(F)cc1Cl)C(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 733687636 GVKWQRQJNDHTQX-CYBMUJFWSA-N 437.855 4.009 5 20 IIBD O=C(Nc1ccc2oc(=O)ccc2c1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 736007018 YMFJLQMLOUQLHS-UHFFFAOYSA-N 445.218 4.446 5 20 IIBD CC(=O)Nc1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2-c2cccs2)ccc1F 736625427 JVIVKBILLYPUMF-UHFFFAOYSA-N 436.442 4.189 5 20 IIBD COc1cc(N2CCC(OC(=O)c3ccc(SC)c([N+](=O)[O-])c3)CC2)ccc1[N+](=O)[O-] 739383875 DVUAVCZRXDQMMH-UHFFFAOYSA-N 447.469 4.059 5 20 IIBD Cc1sc(NC(=O)COC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c(C)c1C 741820891 PGHBUCFMJIKGPX-UHFFFAOYSA-N 427.276 4.140 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 742404081 NMKBWAYFCAFNDU-GFCCVEGCSA-N 428.327 4.487 5 20 IIBD CCOC(=O)c1ccnc(Nc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)c1[N+](=O)[O-] 742425817 IMWWEVXSVWKZKH-ZDUSSCGKSA-N 430.461 4.496 5 20 IIBD C[C@H](OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)Nc1cccc(Cl)c1Cl 743127319 OQBDEULXRYUKML-NSHDSACASA-N 449.250 4.271 5 20 IIBD COc1ccc(C(=O)c2ccccc2)c(OC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c1 743450133 XOAXZULIOCNCAK-UHFFFAOYSA-N 443.415 4.239 5 20 IIBD Cc1ccc(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1NC(=O)OC(C)(C)C 744105026 HYGHRBRJQIGSKI-UHFFFAOYSA-N 429.429 4.046 5 20 IIBD COc1ccc([C@@H]2[C@@H](COC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CCN2C)cc1 744150699 FUBMGFPPCOPJAX-AUUYWEPGSA-N 438.402 4.472 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)c1cccc2cnccc12)c1cccc([N+](=O)[O-])c1 744465024 KDTVRRQNGCEDFO-LJQANCHMSA-N 433.464 4.385 5 20 IIBD C[C@H](OC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 748910461 MWIMHXFURXFFMG-JECHBYEQSA-N 433.258 4.031 5 20 IIBD Cc1ccc(-c2nc(C(=O)OCC3CCN(c4ccc([N+](=O)[O-])cn4)CC3)cs2)o1 750435403 DGZAAZPVHHGJNA-UHFFFAOYSA-N 428.470 4.088 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC([C@@H](O)c2ccccc2)CC1 751138417 OQVRPKBWMGNZPZ-KRWDZBQOSA-N 445.324 4.036 5 20 IIBD O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 751212863 LQMGLSWQHXYTPS-UHFFFAOYSA-N 433.376 4.098 5 20 IIBD COc1cc(CNC[C@@]2(O)CCc3ccccc32)c([N+](=O)[O-])cc1OCc1ccccc1 752121835 GIRZJGADTZSLHY-VWLOTQADSA-N 434.492 4.106 5 20 IIBD CC(C)n1c([C@@H]2CCCN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])C2)nc2ccccc21 752261037 NJZVFAIJGNJCAV-OAHLLOKOSA-N 446.504 4.233 5 20 IIBD O=C(c1ccc(I)c([N+](=O)[O-])c1)N(CCC(F)(F)F)CC1CC1 752480003 ONXNIEWGRBBTBC-UHFFFAOYSA-N 442.175 4.004 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])c(Cl)c3)C[C@@H]21 752580126 MHUVIXJOHQFBIL-IVMMDQJWSA-N 438.912 4.405 5 20 IIBD CN(Cc1cc(Br)cn1C)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 755031307 TZNWYDJQMPYABL-UHFFFAOYSA-N 446.099 4.122 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN(Cc1ccccc1)C[C@H](O)c1cccs1 756054753 DFNBCSIXPOSKKX-IBGZPJMESA-N 425.510 4.139 5 20 IIBD O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1cc(F)cc(C(F)(F)F)c1 756257977 YLOXGRJXOTZODB-UHFFFAOYSA-N 427.354 4.221 5 20 IIBD CCn1c(SCC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccccc1C 756995633 CGLKMDIGYSGYFJ-UHFFFAOYSA-N 445.932 4.244 5 20 IIBD C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H](O)c1c(Cl)cccc1Cl 757256501 PSNUPQQEDMPCDI-JDNHERCYSA-N 432.691 4.476 5 20 IIBD Cc1cccc(Cl)c1NC(=O)COC(=O)Cn1c2ccccc2c(=O)c2ccccc21 757685607 CUFXNYDDBSCWDO-UHFFFAOYSA-N 434.879 4.298 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 759132412 RUVBFBHOIHTDCI-JOCHJYFZSA-N 427.888 4.244 5 20 IIBD CC(C)N1CCN(C2CCN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1 760267491 MCYCHRSLVRBLAQ-UHFFFAOYSA-N 434.890 4.262 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 760817185 XJGPIDFEXYDHDN-HNNXBMFYSA-N 443.656 4.364 5 20 IIBD CC(=O)N(c1nc(COC(=O)c2cc([N+](=O)[O-])cn2C)cs1)c1cccc(C)c1C 761020530 CKWIZACQUQTMQF-UHFFFAOYSA-N 428.470 4.048 5 20 IIBD C[C@H](C(=O)OCC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1cccc([N+](=O)[O-])c1 763410372 WVMZFNXPOFJZHW-INIZCTEOSA-N 447.447 4.133 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)Nc1ccc(C)c(C)c1 763811839 ZEJOYIRONOYZRO-HNNXBMFYSA-N 432.498 4.134 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2SC[C@@H](O)c2ccccc2)cs1 768884777 XXEMQNFRPVGQON-MRXNPFEDSA-N 436.536 4.283 5 20 IIBD Cc1cccc(NC(=O)N2CCN(Cc3ccc(Br)c([N+](=O)[O-])c3)CC2)c1 769228916 COJLCJYIEWJBRZ-UHFFFAOYSA-N 433.306 4.015 5 20 IIBD Cc1nn(-c2ccc(C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)c(C)c1Cl 769423879 KCJQNGFPQIAJOD-CQSZACIVSA-N 442.859 4.235 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1cc(F)c([N+](=O)[O-])cc1F 773893337 NIEZDRHXSFMBQV-ABKXIKBNSA-N 429.217 4.142 5 20 IIBD CC1(C)CC(=O)c2cc(C(=O)O[C@H](c3cccnc3)c3ccccc3[N+](=O)[O-])c(O)nc2C1 776140059 ZCDDZDKZLJPLGT-OAQYLSRUSA-N 447.447 4.192 5 20 IIBD CCOc1ccc([C@H]2CCCN2C(=O)COC(=O)c2cccc(SC)c2[N+](=O)[O-])cc1 777073375 DYNFYBCSMCIXIY-GOSISDBHSA-N 444.509 4.236 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1ncc(Cl)cc1Cl 777130276 YMRIZSMNUQDTGP-UHFFFAOYSA-N 445.280 4.309 5 20 IIBD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nn1-c1ccc(F)cc1 777154116 VGUOMIJOANSJQY-GFCCVEGCSA-N 446.822 4.065 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)CN(C)C(=O)c1ccc(Br)s1 778784841 VLZJNAUNJKXSCZ-LLVKDONJSA-N 441.303 4.104 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 779466015 MQGXCIHGMIKZQP-UHFFFAOYSA-N 438.362 4.377 5 20 IIBD COc1ccccc1[C@H](OC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccn1 781826958 USOLREZSDWFPSX-QFIPXVFZSA-N 437.408 4.172 5 20 IIBD COc1cccc([C@H](OC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c2ccncc2)c1 782454783 LQUJDYHYAUBXKY-JOCHJYFZSA-N 430.420 4.131 5 20 IIBD CC(C)COc1ncc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1Cl 783276700 NKHVSHSVMAZXNS-UHFFFAOYSA-N 442.255 4.127 5 20 IIBD O=C(Nc1cccc(COc2ccccc2)c1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 783297989 JVXHGBXJWDHLRF-UHFFFAOYSA-N 445.475 4.304 5 20 IIBD C[C@@H](OC(=O)c1cc(Br)ncc1[N+](=O)[O-])c1cccc(Br)c1 784488970 MBTVGUWQFRJLDY-MRVPVSSYSA-N 430.052 4.433 5 20 IIBD Cc1ccc2oc(-c3nnc(NS(=O)(=O)c4cc([N+](=O)[O-])c(C)cc4Cl)o3)cc2c1 785556855 HSIMSGRHBQMYJK-UHFFFAOYSA-N 448.844 4.462 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H](O)c1cccc(C(F)(F)F)c1 786346975 DNGGZBPOAMBJDK-HNNXBMFYSA-N 447.207 4.148 5 20 IIBD COc1ccnc(COC(=O)c2cc([N+](=O)[O-])ccc2Sc2nc(C)cs2)c1OC 789001701 YZUDBZZEAIWEDN-UHFFFAOYSA-N 447.494 4.280 5 20 IIBD CC1CCN(c2ccc(C(=O)O[C@@H]([C@H]3CCCOC3)C(F)(F)F)cc2[N+](=O)[O-])CC1 789647767 CNUPRGPWIKJTIK-YJBOKZPZSA-N 430.423 4.345 5 20 IIBD Cc1c(CNC(=O)N2CCC([C@H]3CCCN3C(=O)OC(C)(C)C)CC2)cccc1[N+](=O)[O-] 790558702 HNPPQWSTGYCLNF-HXUWFJFHSA-N 446.548 4.224 5 20 IIBD C[C@@H]1CN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 793698638 HSWPGTAFVUAHGX-KUHUBIRLSA-N 447.417 4.292 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CCC(O)CC1 795648162 NAFUYSPXJAKUAE-GSQSYGFSSA-N 432.860 4.022 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 797645680 UIHATUFCBPQPOU-IBGZPJMESA-N 440.500 4.382 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3csc(C)n3)cc2)c([N+](=O)[O-])c1 799517995 WXHWRLSABLVBKB-GFCCVEGCSA-N 441.465 4.219 5 20 IIBD CN(Cc1ccc([N+](=O)[O-])c(F)c1)Cc1cccc(Br)c1OCC(C)(C)O 801546588 VVXHUBGRTCOMBN-UHFFFAOYSA-N 441.297 4.278 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1I)N1CCC(CC(F)(F)F)CC1 803675640 YHMQJTJXAXYYSO-UHFFFAOYSA-N 442.175 4.004 5 20 IIBD Cc1cc(S(=O)(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)cc([N+](=O)[O-])c1F 805147581 RTTNFZGDCGIZIB-UHFFFAOYSA-N 435.452 4.231 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C1(S(=O)(=O)c2ccccc2)CCCCC1 808533424 LZUAXYWUYUXCRU-UHFFFAOYSA-N 436.917 4.041 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1)c1ncccn1 808785007 PZSFOEMMVIOYEI-UHFFFAOYSA-N 431.496 4.121 5 20 IIBD O=C(Nc1ncc(C2(O)CCCCC2)s1)c1ccc([N+](=O)[O-])cc1Br 809777856 ZQXAZMJJLOQTEY-UHFFFAOYSA-N 426.292 4.218 5 20 IIBD O=C1CC[C@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)c3cccc1c32 809832272 MRDWWQWFBDUPGX-VIFPVBQESA-N 427.265 4.171 5 20 IIBD Cc1cnc(C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)CC2)s1 809839968 RHVWUYLHDMRBBM-UHFFFAOYSA-N 436.342 4.235 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]1/C=C\c1ccccc1 810383113 YNQKCVXEEABANY-SIJIIQCFSA-N 444.285 4.000 5 20 IIBD O=[N+]([O-])c1ccc(OCc2nc(-c3ccc4nc(-c5cscn5)[nH]c4c3)no2)cc1F 812820756 JHXJXVJTQXBBDY-UHFFFAOYSA-N 438.400 4.363 5 20 IIBD O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cc(=O)c2ccc(F)cc2o1 813304591 DSNYDPWPXSOUCX-UHFFFAOYSA-N 426.381 4.321 5 20 IIBD COc1cccc(CN2CCC(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)CC2)c1 815068525 UEQZDTTVSQPOGL-UHFFFAOYSA-N 437.418 4.017 5 20 IIBD O=C(COCc1nc2ccccc2s1)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F 815182055 MGMWIDKWCNQONO-UHFFFAOYSA-N 426.372 4.483 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 816865540 RESKWWGAMPKUEU-QGZVFWFLSA-N 435.546 4.226 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cc(-c2ccccc2Cl)[nH]n1 914821998 MOQJJZKSFICWKI-UHFFFAOYSA-N 425.788 4.045 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N(C2CC2)[C@H](C)C2CC2)cc1 914841138 FXWGWWJCKRXVOV-OAHLLOKOSA-N 444.509 4.074 5 20 IIBD Cc1cc(C)c(OC(=O)[C@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)c([N+](=O)[O-])c1 914869383 LCOKGVKWMKVWFM-HNNXBMFYSA-N 448.422 4.271 5 20 IIBD O=C(NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cc2sc3ccccc3c2s1 916183087 AXKLYCWFYIEEBJ-UHFFFAOYSA-N 432.504 4.284 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)cc1[N+](=O)[O-] 916478578 XACCRUZSECFFKD-UHFFFAOYSA-N 445.325 4.481 5 20 IIBD C/C=C\c1ccc(OS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c(OC)c1 917849050 MLXLLBIPTSKSBB-ARJAWSKDSA-N 428.260 4.167 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCSc2c(F)cccc21 917874886 IHDYUEKXHIGBFA-GFCCVEGCSA-N 447.307 4.012 5 20 IIBD C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)c1cccc([N+](=O)[O-])c1 918135432 GZBNNAWSPGUVIQ-MBSDFSHPSA-N 447.491 4.310 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCC(c2c[nH]c3ccccc23)CC1 918402177 UHLDBXUPDFJTHW-UHFFFAOYSA-N 426.860 4.074 5 20 IIBD O=C(Nc1ccccc1C(=O)NCc1ccc(Cl)nc1)c1ccc([N+](=O)[O-])cc1Cl 918634373 OAPXKCDOURSKFM-UHFFFAOYSA-N 445.262 4.479 5 20 IIBD CNC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 918650332 SGSMPYSTMKKAMC-OKILXGFUSA-N 444.919 4.342 5 20 IIBD C[C@@H](OC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)c1ccccc1[N+](=O)[O-] 920266867 APTAIOTWIHCECL-GFCCVEGCSA-N 441.490 4.399 5 20 IIBD CCc1cccc2c(C(=O)[C@H](OC(=O)c3c([N+](=O)[O-])c(C)nn3C)c3ccccc3)c[nH]c12 920660782 KCVLMDXQQYYTPD-HSZRJFAPSA-N 446.463 4.461 5 20 IIBD O=C(OCC(=O)N(CC(F)(F)F)c1ccc(Cl)cc1)c1cc(F)ccc1[N+](=O)[O-] 1115907943 PRRUZZFOAGGUHQ-UHFFFAOYSA-N 434.729 4.140 5 20 IIBD CCOc1ccc(NC(=O)CN[C@@H](C)c2ccc(F)cc2OC(F)F)c([N+](=O)[O-])c1 1254159410 FLGLKICHQOMNBN-NSHDSACASA-N 427.379 4.023 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCCN(Cc4cc(C)on4)CC3)c([N+](=O)[O-])c2)cc1 1321471255 NCXKYGQALJTILK-UHFFFAOYSA-N 449.511 4.164 5 20 IIBD O=Cc1cccc(OCc2cccc(C(=O)OCc3nc4cc([N+](=O)[O-])ccc4o3)c2)c1 1322380533 JBHDNVBBAJOXMA-UHFFFAOYSA-N 432.388 4.485 5 20 IIBD COC(=O)[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1Cl 1339377515 KMBMMZXDUBKEJG-CQSZACIVSA-N 428.622 4.082 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)CCc4cccc([N+](=O)[O-])c4)CCC3)cc2)n[nH]1 1790108993 GFXYEJGZASWPRD-UHFFFAOYSA-N 447.495 4.007 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3nc4ccccc4o3)CCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 1790185986 BDZCFJYUAOIYTR-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD CCC[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C3)CC1 1801811834 ZXBBYCGRKBQXBQ-WSJSTIOHSA-N 441.572 4.382 5 20 IIBD C/C(=C\c1ccc(C)o1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1[N+](=O)[O-] 1804344911 VFXLSKFYNGAOOR-OCVFYMLMSA-N 449.507 4.251 5 20 IIBD Cc1cscc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823612777 STTXCSVRPIZQRR-KRWDZBQOSA-N 431.514 4.105 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CCCCN2C(=O)C2=CCCC2)CC1 1826279066 CAADZDXIWFEFPC-GNNUASRNSA-N 437.540 4.338 5 20 IIBD O=C(COC(=O)c1cc2c(s1)CCCC2)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 9069318 ARIVFYAQQZYCHT-UHFFFAOYSA-N 428.388 4.349 5 20 IIBD C[C@H](NC(=O)COC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 9352033 UOJYPTWLEOVLRH-NSHDSACASA-N 443.308 4.414 5 20 IIBD C[C@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 10531914 IJXMJFBDCBQHRQ-ZETCQYMHSA-N 432.647 4.321 5 20 IIBD C[C@@H](OC(=O)c1ccc(Br)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 11081316 CKQZKSAZEPUORJ-SECBINFHSA-N 427.638 4.195 5 20 IIBD COCCN(C(=O)COc1cccc(C)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 14790606 GMBYAPBFTQLBII-UHFFFAOYSA-N 427.482 4.085 5 20 IIBD Cc1ccc(S(=O)(=O)N(CCC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 15408312 NUZVKSZVSNCQGG-UHFFFAOYSA-N 439.493 4.127 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)c2nnc(-c3cccc(C)c3)o2)cc1OC 19357879 PSDQWKJMRNFNFF-CYBMUJFWSA-N 427.413 4.279 5 20 IIBD O=C(NCC[C@H]1C(=O)Nc2ccccc21)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 24392237 BYILZBDBXCZNSN-LJQANCHMSA-N 430.464 4.063 5 20 IIBD Cc1nc(-c2ccc([C@@H](C)NC(=O)[C@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cs1 29100972 IQARJBVPCZWVDN-KGLIPLIRSA-N 438.509 4.022 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3cc4c(cc3Cl)OCCO4)cc2)c(C)c1[N+](=O)[O-] 32582419 VPWFDSAVHOAMJP-UHFFFAOYSA-N 442.859 4.133 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC(c2nc3ccccc3o2)CC1 36623772 BLILOHSBMXLDRF-UHFFFAOYSA-N 434.496 4.359 5 20 IIBD Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 59057191 IFGMLTMBLGPMCJ-UHFFFAOYSA-N 444.850 4.313 5 20 IIBD Cc1cccn2c(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)c(-c3ccccc3)nc12 60780899 SAADHFKRKVKWCK-UHFFFAOYSA-N 439.435 4.051 5 20 IIBD O=C1C[C@H](Nc2cccc(OCc3ccc(F)cc3)c2)C(=O)N1c1cccc([N+](=O)[O-])c1 61021121 BLGXKCLRECRCEJ-NRFANRHFSA-N 435.411 4.057 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 64722396 LQPHODWQQFRSPF-RHSMWYFYSA-N 434.876 4.215 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N[C@@H](c1ccc(F)cc1)C1CCCC1 97575816 TWWMHMGANVVZDG-HXUWFJFHSA-N 433.867 4.165 5 20 IIBD CNC(=O)Cc1ccc(NCc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)cc1 237143161 WOJKHEZLKPEANQ-UHFFFAOYSA-N 435.480 4.083 5 20 IIBD C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 426273444 HBJYZCBKQMGZJM-SSUCQYSQSA-N 443.447 4.254 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](CC1CC1)c1cc(F)cc(Br)c1 426338815 IDGZURIVEQXPIJ-MRXNPFEDSA-N 439.285 4.049 5 20 IIBD CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H](c1ccc(Cl)cc1)c1cnccn1 426875443 OBHIKTIOQWPNAA-HXUWFJFHSA-N 436.859 4.310 5 20 IIBD COc1cccc(Cn2nccc2NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1OC 429529315 RBPDJAKNXWRRGP-HNNXBMFYSA-N 439.472 4.048 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CN1CCOC[C@H]1c1c(C)nn(-c2ccccc2F)c1C 430220789 RNXAOJOAODAGSY-NRFANRHFSA-N 440.475 4.119 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 430638162 CHSODKGXVAYCBA-JTDSTZFVSA-N 431.920 4.185 5 20 IIBD COc1ccc([C@H]2NC(=O)N([C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1Br 431950564 MBCGCJUKCSSIBJ-APPDUMDISA-N 448.273 4.028 5 20 IIBD C[C@H](Cc1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1)C(=O)O 432002289 JXUTZVDMZVURDI-LLVKDONJSA-N 426.347 4.051 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc([C@@H]2CCCc3ccccc32)s1 432533233 ADCRMJUEUCLIKU-MRXNPFEDSA-N 430.511 4.024 5 20 IIBD C[C@H](c1nnc(SCc2nc3cc([N+](=O)[O-])ccc3o2)n1-c1ccc(F)cc1)N(C)C 434806373 YUOIUCRTUZXMKV-GFCCVEGCSA-N 442.476 4.371 5 20 IIBD COCCNc1ccc(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc1 435330562 UJUJGILFPUDPOE-UHFFFAOYSA-N 437.294 4.046 5 20 IIBD COc1cccc(C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1[N+](=O)[O-] 435564858 QJGVCWMPWWLUPS-AWEZNQCLSA-N 437.427 4.486 5 20 IIBD Cc1ccc(C)c(-n2ncc(NC(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)c2C)c1 437802537 RFGDUEHXYZWRAV-UHFFFAOYSA-N 434.500 4.060 5 20 IIBD CC(C)[C@@H](NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(C(F)(F)F)cc1 440040346 WUHVIEFRTZYCTM-GOSISDBHSA-N 437.374 4.035 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](CO)Cc1ccccc1OC(F)(F)F 443956081 CELYWGVPHAEPQE-AWEZNQCLSA-N 441.406 4.083 5 20 IIBD CC(C)C[C@@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C(=O)OC(C)(C)C 444236581 CJKCAHIKJFUWLA-LJQANCHMSA-N 444.478 4.446 5 20 IIBD O=C(NCC1CCN(c2ccncc2)CC1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444284865 GFMXCDOMMIAKEB-UHFFFAOYSA-N 448.473 4.001 5 20 IIBD Cn1cnc([N+](=O)[O-])c1-c1noc(-c2cccc(NC(=O)CCCc3cccs3)c2)n1 445575926 SYBIJJGHXVOTMI-UHFFFAOYSA-N 438.469 4.068 5 20 IIBD Cn1c(S[C@@H]2CCN(c3c(F)cccc3F)C2=O)nc2cc3ccccc3cc2c1=O 447346196 BZPGATAGXWAHPW-LJQANCHMSA-N 437.471 4.263 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CC[C@H](n2cnc3ccccc32)C1 447682706 JCFFPIIQTJMCJP-NSHDSACASA-N 427.333 4.445 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3C[C@@H](C)C(=O)Nc4ccccc43)cc2[N+](=O)[O-])C1 460110981 PTMRQIKULOSYJM-IXDOHACOSA-N 436.512 4.312 5 20 IIBD C[C@@H](c1ccncc1)N(C)C(=O)c1cc(C(=O)N(C)[C@@H](C)c2ccncc2)cc([N+](=O)[O-])c1 460670783 JNCOXSSIWAKENN-IRXDYDNUSA-N 447.495 4.051 5 20 IIBD CCOc1ccc(C(C)(C)C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc1OCC 461408526 NXUBCPMHSFWYFW-UHFFFAOYSA-N 428.485 4.091 5 20 IIBD Cc1cc(N2CCCN(C(=O)c3cccc(F)c3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] 461725280 GRAYWECUUVFINX-UHFFFAOYSA-N 425.382 4.414 5 20 IIBD COc1cc(CN2C(=O)N[C@@](C)(c3ccc(Cl)c(Cl)c3)C2=O)c([N+](=O)[O-])cc1F 463421599 LAJXZAALNJYJPQ-SFHVURJKSA-N 442.230 4.017 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)Oc2ccc(Br)cc2)c1 464628583 OKNKTEMYYFKWFR-LLVKDONJSA-N 425.304 4.277 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(CCc3nc(-c4cccc(Cl)c4)no3)CC2)cc1 464783751 PHYICMGMLWVWRH-UHFFFAOYSA-N 428.876 4.384 5 20 IIBD COc1ccc(-c2ccc(CNCc3ccncc3OCC(F)(F)F)o2)c([N+](=O)[O-])c1 466413018 AOWUQPKFUZIYSG-UHFFFAOYSA-N 437.374 4.489 5 20 IIBD NC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)n1 466430658 KHIWMSUBAQXDTE-UHFFFAOYSA-N 428.857 4.146 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)c2ccccc2)s1 467357786 KQYUJWPBGCKIAS-UHFFFAOYSA-N 444.534 4.242 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])c(C2CC2)n1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 468110928 PVMZTRDGEYGHHU-KRWDZBQOSA-N 439.859 4.293 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 470121196 OLRMDNOCWSWUPD-UHFFFAOYSA-N 441.488 4.207 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCC[C@@H](C)N(C)Cc3ccccc3)cc2)c(C)c1[N+](=O)[O-] 471475641 LFCXMBJVUVUUTJ-GOSISDBHSA-N 449.555 4.097 5 20 IIBD Cc1cc(-c2noc([C@H](C)NC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)ccc1F 472395383 ODASGAIFGWIXJY-RYUDHWBXSA-N 448.838 4.390 5 20 IIBD C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 472617380 ISTCMSPQUXRYFA-PIGZYNQJSA-N 439.365 4.301 5 20 IIBD COc1ccc(C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2OC)c2ccc(OC)cc2)cc1 474284956 PWQBPABCMNMXGV-OAQYLSRUSA-N 436.464 4.334 5 20 IIBD COc1ccccc1N1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 475213939 NWKCWIKPRRIZQR-CYBMUJFWSA-N 438.406 4.270 5 20 IIBD CC(C)(C)N(CC(=O)Nc1ccc(F)cc1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 475345496 BCLAHSCVHWYQSW-UHFFFAOYSA-N 436.871 4.065 5 20 IIBD CCc1cnc(CN(C)c2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])s1 476143290 JCAJKAIMJPETGW-UHFFFAOYSA-N 432.527 4.051 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)cc1SC 481931670 NYLCYLZPDGRDPD-SFHVURJKSA-N 446.916 4.232 5 20 IIBD O=C(Nc1cccc(-n2cc(C(F)(F)F)cn2)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 481966650 HLRXFHKBOLEAFU-UHFFFAOYSA-N 431.374 4.390 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1ccc(C(F)(F)F)cc1 482910632 MGIMQXPKVGRXIG-MRXNPFEDSA-N 435.358 4.129 5 20 IIBD COc1cc(C(=O)Nc2cc(C)nn2Cc2ccccc2)c([N+](=O)[O-])cc1OC(F)F 484162134 IMJPMMMSKSIHML-UHFFFAOYSA-N 432.383 4.010 5 20 IIBD C[C@@H](N[C@H]1CCCc2c(O)cccc21)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 484315361 YISYORKGAXGAIT-ACJLOTCBSA-N 438.509 4.418 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3nnc(CC(F)(F)F)s3)cc2[N+](=O)[O-])C1 484979064 TYFUTMQAHCPSOB-QWRGUYRKSA-N 443.451 4.286 5 20 IIBD COC(=O)c1cc(NC(=O)NCc2ccccc2N2CCCCC2)c(C)c([N+](=O)[O-])c1 486882694 FVLBHIKONHYNHD-UHFFFAOYSA-N 426.473 4.002 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C)c(C(=O)NC(C)C)c1 487441706 CMDDWNNWLVAVPO-UHFFFAOYSA-N 431.514 4.032 5 20 IIBD COc1cccc(-n2ccnc2SCC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 488044491 PSYLSSCKOLQYRE-OAHLLOKOSA-N 426.498 4.067 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](c1ccccc1)c1nc2ccccc2n1C 491055016 SESPJVUNHOZASW-QHCPKHFHSA-N 443.507 4.455 5 20 IIBD C[C@@H](C(=O)Nc1ccn(-c2ccc(Br)cc2)n1)c1ccc([N+](=O)[O-])cc1F 498886966 AGQXNSFAOMZXDR-LLVKDONJSA-N 433.237 4.424 5 20 IIBD C[C@H](NC(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(Cl)c1Cl 502274715 YUBZHCYLKIKCAW-JTQLQIEISA-N 444.702 4.091 5 20 IIBD O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)cc1 503864434 UFKZFFZSZOBBPL-GOSISDBHSA-N 428.432 4.227 5 20 IIBD CCOC(=O)c1ccc(F)c(C)c1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 505440603 RTKXZDJPXAPZJM-UHFFFAOYSA-N 444.337 4.412 5 20 IIBD C[C@H](c1ccccc1)N(C1CC1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 510533940 NAEWOVVGJIPNIC-GFCCVEGCSA-N 425.304 4.272 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(C)cc2OC[C@H]2CCCO2)c([N+](=O)[O-])cc1OC 511759533 VELLHDJVMXMCCW-OAHLLOKOSA-N 430.457 4.121 5 20 IIBD CC(C)c1c(C(=O)NCCNc2ccccc2[N+](=O)[O-])cnn1-c1cccc(Cl)c1 512597553 MZTGYYRNXXYLSE-UHFFFAOYSA-N 427.892 4.399 5 20 IIBD C[C@H](c1nc(-c2cccs2)no1)N1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 512723313 RDGPMHIQCIOCFP-HQQUCIOCSA-N 425.514 4.098 5 20 IIBD CCC(C)(C)NC(=O)c1ccc(NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1Cl 515660474 FHPOFPVDDACSJZ-UHFFFAOYSA-N 444.919 4.168 5 20 IIBD C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(NC(=O)Nc2ccccc2)cc1 516498177 GCQKAOZGUTUJNN-AWEZNQCLSA-N 448.435 4.459 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N[C@@H](C)C(=O)NCc3ccco3)cc2[N+](=O)[O-])cc1 520963047 BCMFMKRNPMYFNC-HNNXBMFYSA-N 439.493 4.082 5 20 IIBD COc1cc(CN[C@@H]2CCN(C3CCCC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 521843000 VHWQUTGIQAMJOC-HXUWFJFHSA-N 425.529 4.289 5 20 IIBD COc1cccc(C[C@H](NC(C)=O)C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1 522676285 UENRQMVMKJEDTL-QHCPKHFHSA-N 449.463 4.082 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2nc3ccc(Cl)cc3s2)ccc1[N+](=O)[O-] 523228522 IXBRVSWUQIIYFV-MRXNPFEDSA-N 444.900 4.410 5 20 IIBD COc1cc2c(cc1OC)CN(C(=O)CCCNc1ccc(Cl)cc1[N+](=O)[O-])CC2 527314631 NUTRRYNJTDMIQR-UHFFFAOYSA-N 433.892 4.042 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)CCc1cn(C)c2ccccc12)c1ccccc1[N+](=O)[O-] 531026412 SKUGQIZTZJLWIR-FQEVSTJZSA-N 437.496 4.218 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C 534949763 CZSOSDVYSUCEFS-HOCLYGCPSA-N 446.500 4.407 5 20 IIBD CCOC(=O)c1ccnc(NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] 536500822 CBAHLYVNHZAOGY-GUYCJALGSA-N 436.871 4.064 5 20 IIBD COc1cc(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc(OC)c1Br 537209927 VPKJSBKXURVJGY-UHFFFAOYSA-N 427.276 4.349 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@@H]3CCO[C@@H]3c3ccc(F)c(F)c3)cc2[N+](=O)[O-])CC1 537237681 NCQBMAAMMNBLDQ-DENIHFKCSA-N 445.466 4.369 5 20 IIBD O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1Br 540442890 ZEOJNCGRCUBXDD-HOTGVXAUSA-N 425.666 4.271 5 20 IIBD COc1ccc(C(=O)NCC(=O)Nc2ccccc2O[C@H](C)c2ccccc2)cc1[N+](=O)[O-] 541150226 PTYWOYXTTSNQMB-MRXNPFEDSA-N 449.463 4.112 5 20 IIBD Cc1ccc(-c2nc(C)c([C@@H](C)NC[C@H](O)COc3ccccc3[N+](=O)[O-])s2)cc1 541661436 JNCAKXKHMUYWSK-QAPCUYQASA-N 427.526 4.426 5 20 IIBD O=c1c2cnn(-c3cccc(C(F)(F)F)c3)c2ncn1Cc1ccc([N+](=O)[O-])cc1Cl 542932709 AEDIFIJPXIBIFL-UHFFFAOYSA-N 449.776 4.211 5 20 IIBD Cn1cc(Cc2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)c2ccccc21 546442654 OJEWFOWFCWCRIS-UHFFFAOYSA-N 427.258 4.414 5 20 IIBD COc1ccc(C)cc1-n1nnnc1SCc1cc([N+](=O)[O-])ccc1C(F)(F)F 549307327 RKKWBLLBLHCRGH-UHFFFAOYSA-N 425.392 4.199 5 20 IIBD CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 549430235 FNTDJDPJDDRAOU-UHFFFAOYSA-N 449.555 4.331 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@H]3c3ccc(Br)cn3)o2)cc1 550678290 DNCSJJACTOJWFZ-INIZCTEOSA-N 430.262 4.139 5 20 IIBD Cc1ccc(NC(=O)Cc2noc(-c3cc([N+](=O)[O-])cc(Br)c3C)n2)cc1 551397921 WYIOZOANQSLISW-UHFFFAOYSA-N 431.246 4.205 5 20 IIBD C[C@@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])[C@H]1OCCc2sccc21 552267063 MOENWAIJOOHVGG-QLJPJBMISA-N 430.404 4.030 5 20 IIBD O=[N+]([O-])c1ccn(C2CCN(c3nnc(-c4ccccc4)n3Cc3cccs3)CC2)n1 555436426 PKXLMTKNYLXZEI-UHFFFAOYSA-N 435.513 4.001 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N(Cc1ccc(-n2cncn2)cc1)C1CC1 558783133 GBXBLJLVHIMHQS-UHFFFAOYSA-N 446.389 4.391 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1Nc1ccc(Oc2ccccc2S(=O)(=O)CC)cc1 561375298 KMCKFRUFDXNVSE-UHFFFAOYSA-N 430.486 4.449 5 20 IIBD O=C(N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1ccc(Cl)cc1[N+](=O)[O-] 561427705 YOOGFGKIUSQKFV-GOSISDBHSA-N 428.794 4.399 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 563575150 KNLZLUMKFYYPQR-UHFFFAOYSA-N 438.459 4.122 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cnn(-c2ccccc2Br)c1 570302597 RSXYUXICWVJXAG-UHFFFAOYSA-N 431.246 4.194 5 20 IIBD NS(=O)(=O)c1ccc(N[C@H](c2cccc(F)c2)c2cccc(Cl)c2)cc1[N+](=O)[O-] 600848240 BORHBBVINAVGHA-IBGZPJMESA-N 435.864 4.236 5 20 IIBD COc1cccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 604447664 TZWJGBXZKUJSAD-BEFAXECRSA-N 448.903 4.232 5 20 IIBD CCOc1ccc(NC(=O)CNc2cccc(OCC(F)(F)F)c2C)c([N+](=O)[O-])c1 609039912 MPXCQHOYPIADNE-UHFFFAOYSA-N 427.379 4.294 5 20 IIBD O=C(NCC1(c2cccc(Br)c2)CC1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609680165 LVWZFXCVTQDSAJ-UHFFFAOYSA-N 442.269 4.073 5 20 IIBD O=C(Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)c1ccc([N+](=O)[O-])s1 609755341 IKQKWYGKIUSFIM-UHFFFAOYSA-N 438.433 4.161 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)ccc1[N+](=O)[O-] 610068817 WQLHCIZTBOOSAA-OXQOHEQNSA-N 448.479 4.040 5 20 IIBD CCc1nc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nn1-c1ccccc1F 610168442 XQHKMBQOABDFPV-UHFFFAOYSA-N 438.444 4.253 5 20 IIBD COc1ccc(Oc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)cn2)cc1 610194646 SENWAKFYQPSQTG-UHFFFAOYSA-N 429.454 4.208 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NC1(C(F)(F)F)CC1 610705622 DIKUIIBCRSMIAC-UHFFFAOYSA-N 430.386 4.201 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1ccncc1 615668410 KGUMFBLFHNAUJM-HXUWFJFHSA-N 437.477 4.175 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(Cc1cccc(C(F)(F)F)c1)C(C)C 619479753 CLZCOOXOTCSQFZ-UHFFFAOYSA-N 432.420 4.222 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])c1ccc(Cl)cc1Cl 725937230 OSTLIGBPPIYHTD-MRVPVSSYSA-N 433.194 4.214 5 20 IIBD O=C(Nc1ccc(F)cc1F)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727472397 HONVKCFUKGVCES-UHFFFAOYSA-N 430.333 4.246 5 20 IIBD CCOc1cc(NC(=O)c2sc(N3CCCC3)nc2Cl)c([N+](=O)[O-])cc1OCC 728163014 IJWAILAFFNEPRX-UHFFFAOYSA-N 440.909 4.355 5 20 IIBD O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 728478920 MGENFZHHCJPEPD-UHFFFAOYSA-N 442.431 4.222 5 20 IIBD C[C@@H](OC(=O)C[C@@H](c1ccccc1)C(F)(F)F)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 728652388 IZZCHIHIQDMHRO-RISCZKNCSA-N 428.338 4.340 5 20 IIBD O=C(OCc1ccc(SC(F)F)cc1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 731971080 BWNMEYAKHNHIHJ-ZDUSSCGKSA-N 442.465 4.319 5 20 IIBD CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H](c1cccnc1)c1ccc(F)c(F)c1 732962927 FZVPFOYZCDXOBS-HXUWFJFHSA-N 442.378 4.428 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1 733455763 FOQXWKNCNPTILE-QGZVFWFLSA-N 433.342 4.057 5 20 IIBD CN1CCC(N(C)c2ccc(NC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 735001752 VYMMSLXPKZWOEQ-UHFFFAOYSA-N 446.935 4.186 5 20 IIBD COc1ccc([C@@H]2[C@@H](COC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)CCN2C)cc1 735904481 OWDVKHFNVSANFY-LUQKVYGDSA-N 430.526 4.320 5 20 IIBD O=C1CN(CN2Cc3ccccc3C[C@H]2c2ccccc2)C(=O)N1c1cccc([N+](=O)[O-])c1 743377371 OKMNHSFOGOTHKH-QHCPKHFHSA-N 442.475 4.121 5 20 IIBD CCOc1cc(N2CCC(OC(=O)C3(c4ccccc4OC)CC3)CC2)ccc1[N+](=O)[O-] 744205348 YXTLLQQNSZLYHF-UHFFFAOYSA-N 440.496 4.246 5 20 IIBD CS(=O)(=O)c1cccc([C@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c2ccccc2)c1 744375758 QSQHIWKPMQSPAU-HXUWFJFHSA-N 444.896 4.171 5 20 IIBD CC(C)CO[C@H](C)c1noc(COC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)n1 744455643 KGWMGORCMFXPIA-MRXNPFEDSA-N 446.504 4.305 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cc(F)c(F)cc1Br 750196670 OOFPWVFATKOCPZ-UHFFFAOYSA-N 440.156 4.043 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2nnc(C3CCCCC3)s2)c1 752197646 KKGLJRXBTJIQNP-UHFFFAOYSA-N 447.336 4.057 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccccc2)cc1[N+](=O)[O-] 752491281 NCMNRPIYIFOEOB-VQIMIIECSA-N 427.501 4.389 5 20 IIBD O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1cc(F)cc([N+](=O)[O-])c1Br 754968190 VLBNQJUYXWHRRB-INIZCTEOSA-N 436.281 4.063 5 20 IIBD CCOc1cc(COC(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)ccc1[N+](=O)[O-] 755549706 HGVOEKYWKNSJRT-UHFFFAOYSA-N 431.832 4.373 5 20 IIBD O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1cccc([N+](=O)[O-])c1Br 758160649 PNHASRIJTFIIHX-HNNXBMFYSA-N 431.246 4.337 5 20 IIBD COc1cc(-c2noc(Cn3ncc4ccc([N+](=O)[O-])cc43)n2)cc(Cl)c1OC(C)C 761400913 ZECMDNBCOYFNGQ-UHFFFAOYSA-N 443.847 4.492 5 20 IIBD Cc1cc(C)n(-c2ccc(Cc3noc([C@H]4CC(c5ccccc5[N+](=O)[O-])=NO4)n3)cc2)n1 761420174 PXPASOUHOAURGV-OAQYLSRUSA-N 444.451 4.237 5 20 IIBD COC(=O)c1sc2[nH]c(/C(Cl)=C/c3ccc([N+](=O)[O-])c(Cl)c3)nc(=O)c2c1C 763173868 FKUSTCUJSJBDIM-POHAHGRESA-N 440.264 4.378 5 20 IIBD O=C(CNc1ccc2cc(Br)ccc2c1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 763243073 MDPXVBVEIXARID-UHFFFAOYSA-N 444.241 4.290 5 20 IIBD CCc1ccc2c(COC(=O)c3cc([N+](=O)[O-])ccc3SCCOC)cc(=O)oc2c1 763811118 SLBVHGNNRGRSJT-UHFFFAOYSA-N 443.477 4.359 5 20 IIBD CCOc1ccc(C2(CNC3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CCOCC2)cc1 765306109 BRTNHDGCSJAHEJ-UHFFFAOYSA-N 439.556 4.300 5 20 IIBD C[C@H](OC(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 766770613 KNZYMYORDNVNFV-FZZIBODNSA-N 433.342 4.470 5 20 IIBD COc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)NCc2cccc([N+](=O)[O-])c2)c1 766913241 GQTUJZQLYHIWDZ-HSZRJFAPSA-N 435.480 4.049 5 20 IIBD C[C@@H](OC(=O)CSc1nccc2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 767419846 HZSFXTGDAMVYTM-GFCCVEGCSA-N 445.884 4.459 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1OC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 769664910 BJWPLJYNFFDUFU-UHFFFAOYSA-N 447.476 4.244 5 20 IIBD CC[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@@H]1NC(=O)OC(C)(C)C 770000583 AXIRUZQCENQZPC-WFASDCNBSA-N 426.901 4.405 5 20 IIBD COc1ccc(-c2nc(NC(=O)c3cc([N+](=O)[O-])c4nsnc4c3)sc2C)cc1 771500791 CFVDXRNGBCHYGD-UHFFFAOYSA-N 427.467 4.292 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H](O)c2c(Cl)cccc2Cl)cc1OC 771719889 OYGZOXIYRWNQBH-MGNBDDOMSA-N 443.283 4.161 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1cc2ccccc2nc1Br 772478621 VFQAWLRZASFFAU-UHFFFAOYSA-N 441.245 4.104 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)C1 773470772 XUJOGGQABRXMLT-LBPRGKRZSA-N 443.294 4.048 5 20 IIBD Cc1c(C(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c32)cc([N+](=O)[O-])cc1[N+](=O)[O-] 776404411 LTOASKGJOZGZRV-UHFFFAOYSA-N 442.428 4.361 5 20 IIBD Cc1cc(C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)nn1[C@H](C)C1CC1 776744093 QNKWFWYHRPPZMG-OAHLLOKOSA-N 438.488 4.172 5 20 IIBD CN1CCN(c2ccc(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)cc2Cl)CC1 780537370 RMQIULOJMSAUKA-UHFFFAOYSA-N 446.938 4.339 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1nnc(-c2ccccc2Cl)s1 781627046 OPCCAOGTJVFART-UHFFFAOYSA-N 433.833 4.246 5 20 IIBD COc1ccc(-c2noc([C@H](C)OC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)cc1 782059754 XPCQIAVVJVXJKS-QWHCGFSZSA-N 429.454 4.438 5 20 IIBD Cc1cc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cnc1Br 783101006 JFPCXOGMFIWTOC-UHFFFAOYSA-N 435.278 4.136 5 20 IIBD COc1cc(CNc2ccc3c(c2)C[C@@H](OC)C3)c([N+](=O)[O-])cc1OCC(F)(F)F 784630463 RPDPPZRHOAUQFC-INIZCTEOSA-N 426.391 4.270 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 787097486 FDEUKXVQWCCMJU-UHFFFAOYSA-N 431.492 4.455 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(COc2ccc(Cl)nc2)CC1 788791095 DLKUZTQUGRAEHP-CQSZACIVSA-N 435.933 4.441 5 20 IIBD Cc1cc(C)c(N2CC[C@@H](OC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)C2=O)c(C)c1 789041281 HBBZLSMSYYLRBQ-GOSISDBHSA-N 441.440 4.007 5 20 IIBD C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C1 791320611 CALYPZCELJZXQH-GASCZTMLSA-N 442.491 4.170 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc([N+](=O)[O-])c1C 791689897 PTKNCHTYIQBJHE-MRXNPFEDSA-N 441.484 4.086 5 20 IIBD CC(C)c1nc(C(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nn1-c1ccccc1Cl 791795385 RJAKUKMORASINF-UHFFFAOYSA-N 445.819 4.218 5 20 IIBD Cc1cc(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])ccc1I 798522375 LPKLPBNEJSSLEX-UHFFFAOYSA-N 430.629 4.091 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(C)[C@H](C)c1cccc(C(F)(F)F)c1 800602509 SZMOXMUHWLDBCE-LLVKDONJSA-N 427.354 4.219 5 20 IIBD CCc1nc2cc(CNC(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)ccc2n1C1CC1 802186013 SLXXKMKDASKNKT-UHFFFAOYSA-N 433.512 4.372 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCC(c2c[nH]c3ccc(F)cc23)CC1 805317476 WKHZLZMLVXZSMT-UHFFFAOYSA-N 440.431 4.462 5 20 IIBD C[C@H](OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(SCC(=O)N(C)C)cc1 809072000 HKNMJGIIRRMQPI-AWEZNQCLSA-N 441.509 4.103 5 20 IIBD COc1cccc([C@@H]2CCCN2S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)c1 809389221 VWTAQRZNSBPEPB-AWEZNQCLSA-N 431.297 4.436 5 20 IIBD CC(C)(C)c1nnc2sc(SCc3cc(Cl)cc(Cl)c3[N+](=O)[O-])nn2c1=O 809949253 GIEKLMCCOOYVKT-UHFFFAOYSA-N 446.341 4.351 5 20 IIBD O=C(CCCNC(=O)c1ccc(F)cc1F)OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811039659 CCECGIFKOFCKLG-UHFFFAOYSA-N 447.221 4.433 5 20 IIBD C[C@H](N[C@H](C)c1ccc(N2CCCOC2=O)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 814657290 OBXILNJLHOTKDS-CABCVRRESA-N 437.456 4.403 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 815240773 PSKXSQOWNYEUFU-CYBMUJFWSA-N 443.422 4.021 5 20 IIBD CC(C)(C)OC(=O)NCCN1C(=O)c2ccccc2N[C@@H]1/C=C\c1ccccc1[N+](=O)[O-] 877852785 FMSIAXATSASRNS-CBUFDYBVSA-N 438.484 4.027 5 20 IIBD C[C@H](OC(=O)COc1cccc([N+](=O)[O-])c1)c1nc(-c2cccc(C(F)(F)F)c2)no1 914909572 WCMKTVZATYQSAM-NSHDSACASA-N 437.330 4.347 5 20 IIBD Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)OC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 915512458 WDSBTJVKWZKYEC-MRXNPFEDSA-N 436.468 4.396 5 20 IIBD CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)NC(=S)N1 916191669 VNQOZGPLQFLWEN-QGZVFWFLSA-N 435.889 4.253 5 20 IIBD CCOc1cc(C(=O)Nc2cccc(-c3cn4c(n3)CCCC4)c2)c([N+](=O)[O-])cc1OC 917496677 AVXJOAABBPSBKD-UHFFFAOYSA-N 436.468 4.454 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1 919523633 IYQNWOYFLNVYEH-UHFFFAOYSA-N 437.330 4.079 5 20 IIBD O=C(Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)C1=NO[C@H](c2ccccc2)C1 919695449 SYEMJLMENMNLKB-NRFANRHFSA-N 431.404 4.270 5 20 IIBD CCNC(=O)NC1CCC(OC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 920133460 RNJCCZNMMRSAST-UHFFFAOYSA-N 427.457 4.174 5 20 IIBD COc1cc(NC(=O)C(C)(C)C)c(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1OC 920739808 QFFLLYHSVVWHCD-CYBMUJFWSA-N 429.473 4.088 5 20 IIBD O=C(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H](Sc1ccccc1F)c1ccccc1 1116003719 OFOLMDGBVDCWGT-IBGZPJMESA-N 446.481 4.072 5 20 IIBD C[C@@H]1CCCN(C(=O)CCNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 1262820208 VOWAKGXDYIJGLG-MRXNPFEDSA-N 427.526 4.124 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 1320011805 JZFGFZLBBNORKV-KBPBESRZSA-N 427.892 4.331 5 20 IIBD O=[N+]([O-])c1ccc(CNc2ccc(Cl)c(-n3nnnc3C3CC3)c2)c(Br)c1 1320394598 SISSRZPJTOYOKL-UHFFFAOYSA-N 449.696 4.476 5 20 IIBD CNC(=O)c1ccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c(C)c1 1322233515 KUPDFBBLVBGYRM-UHFFFAOYSA-N 435.480 4.463 5 20 IIBD CCOc1ccc(O[C@@H](C)c2nnc([C@@H](CC)Nc3c([N+](=O)[O-])c(C)nn3C)o2)cc1 1322341829 OPPVELBLLOJOBB-XJKSGUPXSA-N 430.465 4.122 5 20 IIBD O=C(NCCOc1ccc2c(c1)CCC2)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 1325942598 NVEWQQUZXVNZTR-UHFFFAOYSA-N 434.442 4.257 5 20 IIBD O=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 1339187828 LFDFCXZTTKTYCM-UHFFFAOYSA-N 433.342 4.206 5 20 IIBD Cn1cccc1C(=O)NC1(c2ccc(NC(=O)CCc3cccc([N+](=O)[O-])c3)cc2)CCC1 1786602589 VPJHISDIQOWEIY-UHFFFAOYSA-N 446.507 4.314 5 20 IIBD CC(C)=CCCC(=O)N1CCC2(CCCN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)C2)CC1 1805686882 YDSZNTVOIIPETB-VQHVLOKHSA-N 429.517 4.179 5 20 IIBD Cc1scc(C(=O)N2CCCC3(CCN(C(=O)c4ccc([N+](=O)[O-])o4)CC3)C2)c1C 1808781969 ADUOSNKAWZYJPT-UHFFFAOYSA-N 431.514 4.025 5 20 IIBD C/C=C(\C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 1814846104 KKLKQYBMOUSOKE-IXFQTGQWSA-N 445.907 4.172 5 20 IIBD CC(C)(C)CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830494894 IHNXFRXCAVUYOY-HXUWFJFHSA-N 433.524 4.403 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)C)CC1 1830728876 FXDGSEQKVUBXFN-IBGZPJMESA-N 433.524 4.322 5 20 IIBD C/C=C/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cc(F)ccc2[N+](=O)[O-])CC1 1831367627 QIBVGCWVQWLZLN-MESDEOKJSA-N 443.519 4.028 5 20 IIBD CC(C)[C@@H](C(=O)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1)c1ccc(Cl)cc1 1840966934 IPJMEACTEAYIKM-LJQANCHMSA-N 445.903 4.098 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)CSCc1cccc(Cl)c1 10147054 LLVFHFRHSZXNFM-GFCCVEGCSA-N 438.889 4.060 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NCc1ccccc1OC(F)F 14330536 OXJINMQZCYJTTH-UHFFFAOYSA-N 426.319 4.102 5 20 IIBD Cc1ccc(-c2nc(CC(=O)OCC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])cs2)cc1 17205461 CZBINAMTKUNPDL-UHFFFAOYSA-N 445.884 4.405 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c(C)n1C1CCCCC1 26675635 NDHPIYHQOVYAIP-UHFFFAOYSA-N 443.456 4.043 5 20 IIBD Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)NC2CCC(C)CC2)n1 28873938 LMBKCLFCHPIYHC-UHFFFAOYSA-N 449.554 4.363 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(C(F)(F)F)ccc2F)ccc1[N+](=O)[O-] 112520757 UWJYPZHRPQQMHS-KRWDZBQOSA-N 439.365 4.304 5 20 IIBD Cc1ccccc1C1(CN[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCOCC1 195650951 GSGNPZPWOJKCFJ-INIZCTEOSA-N 431.920 4.222 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(I)ccc1Br 227298693 GAELNBPOQLQJDM-UHFFFAOYSA-N 447.026 4.214 5 20 IIBD Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1S(=O)(=O)Nc1cccc(Cl)c1 255935189 NODZVOCUSXKAFZ-UHFFFAOYSA-N 435.845 4.203 5 20 IIBD O=C(NCc1nc(-c2ccccc2F)cs1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 428548904 OTDLABPNIXQZEL-UHFFFAOYSA-N 440.500 4.390 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CN(c1ccccc1OC)S(=O)(=O)c1cccs1 429806303 KZOKZJKVIZDQNX-UHFFFAOYSA-N 434.495 4.069 5 20 IIBD CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 429840910 PNERBJARWBURMJ-GFCCVEGCSA-N 434.290 4.272 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2-c2ncc3n2CCCC3)c(Cl)c1 430367887 CSXZPGRCYRQVJY-UHFFFAOYSA-N 432.889 4.249 5 20 IIBD CN(C)S(=O)(=O)c1ccc(Oc2ccc(OCC3CC3)c(Cl)c2)c([N+](=O)[O-])c1 432166036 JIOUVROOFVLFOF-UHFFFAOYSA-N 426.878 4.080 5 20 IIBD CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 435669522 NHBMPRKUEVKBEM-UHFFFAOYSA-N 429.860 4.279 5 20 IIBD CC(C)C(=O)Nc1ccc(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1 435932102 AWPOVSAWMYTEHK-UHFFFAOYSA-N 449.457 4.484 5 20 IIBD COc1ccc(C2(NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CCOCC2)cc1F 436446472 GQOGARFPGGCNEB-UHFFFAOYSA-N 442.365 4.197 5 20 IIBD CC[C@H](NC(=O)Nc1ccc(N2CCOC(C)(C)C2)cc1OC)c1cccc([N+](=O)[O-])c1 437894045 IHOCFJPXZHYXFA-IBGZPJMESA-N 442.516 4.491 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ncc(C(F)(F)F)cc1Br 439294373 GDKHEGNHSJHZAX-UHFFFAOYSA-N 433.184 4.212 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)Cc1cc(OC)c(OC)cc1SC 439871172 HVCLCWXGYFFORN-UHFFFAOYSA-N 435.502 4.397 5 20 IIBD COC(=O)C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(SC)cc1 443900378 NHTNMCKJEGBTHT-HNNXBMFYSA-N 442.415 4.370 5 20 IIBD O=C(NC[C@H]1CCCN1Cc1ccccc1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444027689 DFUICIBSNYZFNO-GOSISDBHSA-N 429.495 4.215 5 20 IIBD CC[C@H](Cc1cccc(Br)c1)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444628623 DHMBNVNYGPQAHF-CYBMUJFWSA-N 431.290 4.119 5 20 IIBD CC[C@H](NC(=O)Cc1noc(-c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1)c1ccccc1 445708561 BIFJYBIWAPYSBV-INIZCTEOSA-N 434.374 4.474 5 20 IIBD COc1cc(Cc2noc(-c3sccc3Br)n2)c([N+](=O)[O-])c(OC)c1 445827070 ZSSSRPPCVMHKMX-UHFFFAOYSA-N 426.248 4.077 5 20 IIBD Cc1ccccc1[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@@H](C)CO1 446039055 JLPSBPCGWWDILE-IFXJQAMLSA-N 433.302 4.197 5 20 IIBD CC(=O)Nc1cccc(NC(=O)[C@H](C)Sc2ccc(Br)cc2[N+](=O)[O-])c1 447347444 LGTOPDLNOQDUSM-JTQLQIEISA-N 438.303 4.435 5 20 IIBD CC[C@@H](c1ccc(F)cc1F)N1CCN(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])CC1 462901407 VHZXEVHIAOCPRH-FQEVSTJZSA-N 446.498 4.285 5 20 IIBD NC(=O)[C@@H](NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 463752751 ZZSAHXKBHRQXFZ-FQEVSTJZSA-N 429.835 4.496 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(Cl)cccc2n1C 464447396 LREPALFWAIBWNE-UHFFFAOYSA-N 448.888 4.042 5 20 IIBD COCCn1cc(NC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)cn1 464565849 KHISTPBPEKRJBV-UHFFFAOYSA-N 432.889 4.495 5 20 IIBD CCOc1cccc(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1OC(F)F 465046914 HGUKYCSIBZNFEB-UHFFFAOYSA-N 445.216 4.287 5 20 IIBD COC(=O)c1cc(C(=O)Nc2cc(Br)ccc2NC(C)C)cc([N+](=O)[O-])c1 470097793 QIOXSEXOYQEYSZ-UHFFFAOYSA-N 436.262 4.217 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 472628475 RRDDUTHMBWWMLP-ZDUSSCGKSA-N 442.472 4.324 5 20 IIBD COc1c(C(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cccc1[N+](=O)[O-] 475529189 RDBGSWWHNMTZBU-AWEZNQCLSA-N 442.859 4.327 5 20 IIBD CC(C)(C)c1cc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)n(-c2ccc(F)cc2)n1 478663968 RUKGKOKYCDLJMW-UHFFFAOYSA-N 449.446 4.050 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(CN(C)Cc3cscn3)c2)cc1C 479269606 COTQBMUCEMMNKF-UHFFFAOYSA-N 446.554 4.101 5 20 IIBD CCc1[nH]nc(C(=O)N2CCC(c3nc(-c4ccccc4OC)cs3)CC2)c1[N+](=O)[O-] 485475698 NTLVRYSBADZLAQ-UHFFFAOYSA-N 441.513 4.032 5 20 IIBD CCN(Cc1nc(O)c2cc(OC)c(OC)cc2n1)[C@@H](C)c1cc([N+](=O)[O-])ccc1C 485737842 MWRYCTHZNQSIID-AWEZNQCLSA-N 426.473 4.152 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl 485969929 ZOYBRIWFLFRZQF-LBPRGKRZSA-N 445.324 4.183 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc2c(cc1SC)OCCO2 487009198 HHFWMCWMKSEDPA-UHFFFAOYSA-N 436.511 4.079 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)N[C@@H](c1ccc(F)cc1)c1cccs1 487871984 NSJLJROAFOEVRI-NRFANRHFSA-N 437.452 4.016 5 20 IIBD CCC(C)(C)OCc1cccc(NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)c1C 488788091 SRMLSBJDVZWXAP-UHFFFAOYSA-N 442.516 4.046 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C 490133838 VYAFIAKOKVOKCI-CXAGYDPISA-N 444.431 4.073 5 20 IIBD NC(=O)c1cc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1Cl 491552797 QGPKHPBMXYXURF-UHFFFAOYSA-N 433.795 4.097 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1C(=O)N(C)C 495389889 WFTKNRVVTKTNOY-UHFFFAOYSA-N 432.480 4.469 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1nc(-c2ccccc2)cs1 497860908 UDZFCKFZMAJLGH-ZDUSSCGKSA-N 429.523 4.294 5 20 IIBD CC(C)c1nc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)nn1-c1cccc(F)c1 498152415 IXVWUDRKWZKSCI-NRFANRHFSA-N 441.488 4.326 5 20 IIBD CCOc1cc(C(=O)Nc2cc(Br)cc(OC)c2)c([N+](=O)[O-])cc1OC 498335278 UTEOIWBCNRWOSY-UHFFFAOYSA-N 425.235 4.026 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC2(CC1)OCCc1ccsc12 498363807 MDJSGARAYJSOLO-UHFFFAOYSA-N 426.416 4.379 5 20 IIBD CCOc1ccc([C@@H]2CCCN2c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])cc1 501904308 PAWKEESVHWLEIX-FQEVSTJZSA-N 447.557 4.366 5 20 IIBD CCOc1cc(CN2CCc3sccc3C2)ccc1OCCn1c([N+](=O)[O-])cnc1C 506632693 MUVGRTLTWXUKTN-UHFFFAOYSA-N 442.541 4.197 5 20 IIBD O=C1[C@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 507955856 NAPIBQDMYUZPFO-OAQYLSRUSA-N 435.455 4.417 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1Br 508057640 NKCULBUUMZDXCG-UHFFFAOYSA-N 428.080 4.092 5 20 IIBD CC(C)(C)c1ccc([C@H]2CCCN2C(=O)CS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 509147484 UORQNXIQSRTEAU-HXUWFJFHSA-N 430.526 4.030 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 511119484 FADQFBVLTXPVMC-XMMPIXPASA-N 435.549 4.305 5 20 IIBD O=C(Nc1cc2ccc(Br)cn2n1)c1c([N+](=O)[O-])cccc1C(F)(F)F 511357103 XUJZXBAXXIZQDN-UHFFFAOYSA-N 429.152 4.276 5 20 IIBD Cc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 512375661 WFOBUPYEHSUOEJ-QGZVFWFLSA-N 445.541 4.066 5 20 IIBD CC[C@H]1C[C@H](CC(=O)N(CCOC)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CCO1 514145082 SZEXETVGIXRWLS-QAPCUYQASA-N 433.530 4.293 5 20 IIBD Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c1 515195553 KNHOYWOFBYSKQT-UHFFFAOYSA-N 449.511 4.145 5 20 IIBD COc1ccc(CSCC(=O)N2CCC[C@H]2c2nc3ccccc3n2C)cc1[N+](=O)[O-] 518128094 RGUVJUOTNDDCKA-SFHVURJKSA-N 440.525 4.087 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 518823459 LHZUIDAGAYKDFM-CHWSQXEVSA-N 431.876 4.241 5 20 IIBD O=C(Nc1cc(F)c(F)cc1N1CCOCC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 519014161 YHBDLRHUCAGKIV-UHFFFAOYSA-N 446.435 4.085 5 20 IIBD COc1ccc(CNC(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)cc1[N+](=O)[O-] 520050176 PYURYAOTFRUMKQ-INIZCTEOSA-N 440.500 4.248 5 20 IIBD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)ccc21 522156778 UREAQPZQUXRKCF-UHFFFAOYSA-N 449.511 4.245 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)Nc3ccn(CCN(C)C)n3)cc2[N+](=O)[O-])cc1 523063171 VYLVPOWUKFCXBD-UHFFFAOYSA-N 425.514 4.065 5 20 IIBD O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccc([N+](=O)[O-])cc1Br 524254084 MCMVDBKYGQYOKB-UHFFFAOYSA-N 448.254 4.462 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 525354431 SCGQWCRNNLBXND-UHFFFAOYSA-N 448.527 4.292 5 20 IIBD COC(=O)CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)CC1 530997868 NSGSTQCUHVNYAB-UHFFFAOYSA-N 442.468 4.201 5 20 IIBD O=C(O)c1cc(C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)cc([N+](=O)[O-])c1 532251552 JRINPTPRRPLUJK-UHFFFAOYSA-N 429.404 4.203 5 20 IIBD COc1ccc2c(c1)[C@H](N(Cc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CCO2 533300869 UELHINYAFSTTCG-JOCHJYFZSA-N 447.491 4.228 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@H](C)c3ccc([S@](C)=O)cc3)cc2[N+](=O)[O-])CC1 533750910 AGHDBOFCONMXOZ-JTBPQFFMSA-N 429.542 4.060 5 20 IIBD CCc1ccc([C@]2(CC)NC(=O)N(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2=O)cc1 534030861 UVKQMMAYNVHLSH-QHCPKHFHSA-N 434.452 4.170 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Cl)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2 534062388 MNDROCWWRPDZKJ-HOTGVXAUSA-N 436.842 4.267 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O 536238790 MIEXWTANRSHVNE-UHFFFAOYSA-N 429.835 4.010 5 20 IIBD CCn1c(SCC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2O)nnc1-c1ccccc1C 538676005 NJOHQRNLCCQZDC-UHFFFAOYSA-N 447.904 4.271 5 20 IIBD CCOc1ccccc1[C@@H](CC)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br 539251810 AQDAQFVPCOFIAI-MRXNPFEDSA-N 436.306 4.435 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H]2CC(=O)N(c3ccccc3Br)C2)n1 544733680 FBIYJCYQISMYDZ-GFCCVEGCSA-N 443.257 4.236 5 20 IIBD O=C(Nc1ccccc1-c1noc(-c2ccc([N+](=O)[O-])cc2Br)n1)C1CC1 544982949 LWUNYGMDTQZGFV-UHFFFAOYSA-N 429.230 4.423 5 20 IIBD Cc1nn(Cc2ccc(-c3nc([C@H]4CCOc5ccccc54)no3)cc2)c(C)c1[N+](=O)[O-] 545690732 WGUBJDTZWQOEDC-IBGZPJMESA-N 431.452 4.421 5 20 IIBD NC(=O)c1ccc(SCc2nc(Cc3cc(Cl)ccc3Cl)no2)c([N+](=O)[O-])c1 545730563 ORCYYALLSNAUDR-UHFFFAOYSA-N 439.280 4.267 5 20 IIBD COc1cccc2[nH]cc(Cc3noc(-c4cc(Br)cc([N+](=O)[O-])c4)n3)c12 546459515 HWFKFJAOSVBYSM-UHFFFAOYSA-N 429.230 4.488 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(Cc3nc(C(C)C)no3)cc2)cc([N+](=O)[O-])c1 547300651 MOPPXVJCMDPZFI-UHFFFAOYSA-N 438.440 4.121 5 20 IIBD C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)CCOc1ccccc1[N+](=O)[O-] 552837839 ZQXVWXTWMAFZCU-IFXJQAMLSA-N 438.402 4.371 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])c1nnc(Cc2ccccc2F)n1C[C@@H]1CCCCO1 555457361 FPHJNPNZFFLJGZ-IBGZPJMESA-N 439.491 4.122 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1c2cc(Br)ccc2CC1(C)C 556537283 AVYCKPCCNOGTON-KRWDZBQOSA-N 446.301 4.044 5 20 IIBD CS(=O)(=O)c1ccccc1-n1cc(Nc2c(Cl)cc(Cl)cc2[N+](=O)[O-])cn1 557584605 UWEIEKNGUQJURU-UHFFFAOYSA-N 427.269 4.234 5 20 IIBD O=[N+]([O-])c1cc2c(Oc3cccc(NS(=O)(=O)c4ccccc4)c3)ncnc2s1 557586637 UDBMWCQKGUMSKK-UHFFFAOYSA-N 428.451 4.193 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC(c3c[nH]nc3C)CC2)cc1 560814390 MSQQLMQEXDACJY-UHFFFAOYSA-N 436.468 4.447 5 20 IIBD CC(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 567712135 LWBOMPPGALGXSL-FQEVSTJZSA-N 443.454 4.365 5 20 IIBD CCSc1cccc(Br)c1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 574802536 JJHJCLMLCFFEOM-UHFFFAOYSA-N 435.296 4.409 5 20 IIBD COC[C@@H](NCc1cc(I)cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 589266774 JMBLOMXFWYUZNA-MRXNPFEDSA-N 446.672 4.330 5 20 IIBD Cc1ccccc1NCCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 600819574 ADMHNQPOOXRAIR-UHFFFAOYSA-N 436.434 4.073 5 20 IIBD CCOc1ccccc1Oc1ccc(CNc2cc3ncnc(O)c3cc2[N+](=O)[O-])cn1 603867478 UFVZXSCJFJRRRN-UHFFFAOYSA-N 433.424 4.442 5 20 IIBD C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 604045693 MBLQWJOUXBFVAD-CQSZACIVSA-N 435.509 4.205 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc(C(F)(F)F)c1 604132969 SAQRAJSACUQKQD-VIFPVBQESA-N 447.316 4.031 5 20 IIBD O=[N+]([O-])c1cc(CNC[C@H](O)COc2ccc(F)cc2)ccc1Oc1ccc(F)cc1 604419113 KLXCMRQULMKEKH-SFHVURJKSA-N 430.407 4.195 5 20 IIBD CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 608964791 PCXKBCJBIMSPBP-UHFFFAOYSA-N 440.406 4.327 5 20 IIBD Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 609060105 WLOCCOSOJHCUIX-QFIPXVFZSA-N 442.479 4.463 5 20 IIBD C[C@](O)(CNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)C1CC1 609816941 PDJSNFZTYOHBJY-FQEVSTJZSA-N 437.855 4.140 5 20 IIBD CS(=O)(=O)c1ccc(OCCOc2ccc([N+](=O)[O-])cc2Cc2ccccc2)cc1 610217518 UKOJLQACFNSLBT-UHFFFAOYSA-N 427.478 4.047 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 611531699 VOSWRJAWMCNLIB-NRFANRHFSA-N 447.495 4.171 5 20 IIBD CC[C@@H](C)n1ncc2c(C(=O)OCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc(C)nc21 725960936 RAEUKYKPUHTJFL-GFCCVEGCSA-N 445.863 4.068 5 20 IIBD O=[N+]([O-])c1ccc2nc(SCc3nnnn3-c3ccccc3Br)sc2c1 727685705 XIHHCNMYRBMAAJ-UHFFFAOYSA-N 449.315 4.235 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 729116415 PLAFEOLINMPMPK-UHFFFAOYSA-N 441.484 4.369 5 20 IIBD CCCN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 729422503 HWFVKKXFZFJFSV-KRWDZBQOSA-N 432.521 4.031 5 20 IIBD CC(C)(C)OC(=O)N1CCC(n2cccc2C(=O)OCCc2ccc([N+](=O)[O-])cc2)CC1 731521342 UTNVCAMFXSCZMW-UHFFFAOYSA-N 443.500 4.368 5 20 IIBD CCN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 733109614 MJPUQHRCMFETMK-XMMPIXPASA-N 447.470 4.425 5 20 IIBD O=[N+]([O-])c1cc(CNC2CCN(C[C@@H]3CCCO3)CC2)ccc1Oc1ccc(F)cc1 733330540 ACQIPAQFHLERAD-NRFANRHFSA-N 429.492 4.259 5 20 IIBD O=C(Nc1cc(Br)cnc1OCC(F)(F)F)c1cc([N+](=O)[O-])ccc1F 734116335 NVZPINXBZKPUAY-UHFFFAOYSA-N 438.131 4.085 5 20 IIBD COc1ccc(CSCC(=O)Oc2cccc(NC(=O)c3ccco3)c2)cc1[N+](=O)[O-] 734329424 AKMRPCRIMOBYCB-UHFFFAOYSA-N 442.449 4.288 5 20 IIBD CC(C)Oc1ccc([C@H](O)CNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1 734832525 KBCKSOUYXMFUKX-MRXNPFEDSA-N 429.351 4.455 5 20 IIBD C[C@@H](OC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1nc2cc(Br)cnc2[nH]1 735214642 FBULBUCANHLKIJ-MRVPVSSYSA-N 430.218 4.028 5 20 IIBD O=C(COC(=O)c1cc2cc(F)ccc2o1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 735550319 FNZUHHBQMXHESM-UHFFFAOYSA-N 426.278 4.294 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCc1ccc(COCC(F)(F)F)cc1 742392493 VAZWEZUQGGMOLV-UHFFFAOYSA-N 425.363 4.242 5 20 IIBD COCCOC(=O)Nc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 742583134 MQUBVSFOZALXOU-UHFFFAOYSA-N 427.335 4.061 5 20 IIBD C[C@@H](CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)CC1(C)OCCO1 743491459 MHAKDXLHUOXZFW-OAHLLOKOSA-N 447.919 4.379 5 20 IIBD O=C(COC(=O)c1cc(OCc2ccccc2)ccn1)Nc1ccc(Cl)cc1[N+](=O)[O-] 745646880 CBCCLHQIRLWZNK-UHFFFAOYSA-N 441.827 4.018 5 20 IIBD C[C@H](OC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 747524085 MBPURBFQDGJOCU-MZPVMMEZSA-N 433.258 4.031 5 20 IIBD O=C(OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Oc2ccccc2)o1 749028125 HVINVRUQXMZCOY-UHFFFAOYSA-N 430.800 4.220 5 20 IIBD O=C(COc1cc(F)c(Cl)cc1[N+](=O)[O-])N1N=C(c2ccco2)C[C@@H]1c1ccco1 752910989 OCSKDSUSPCYYPC-CQSZACIVSA-N 433.779 4.330 5 20 IIBD C[C@H](C(=O)O[C@H](C)C(=O)Nc1ccccc1OC(F)F)c1ccc([N+](=O)[O-])cc1F 755058793 BMFOWCBSELMJBV-WDEREUQCSA-N 426.347 4.009 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCCc1csc(-c2ccc(Cl)cc2)n1 759997424 GGGKAHNGLZIITB-UHFFFAOYSA-N 435.864 4.249 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)cc1OC 760733885 WGJNFXDXTYFODH-MRXNPFEDSA-N 443.283 4.162 5 20 IIBD CC(=O)Nc1cc(C(=O)O[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc(C(F)(F)F)c1 761282819 KMQIHXUVSZRVJD-HZPDHXFCSA-N 440.378 4.109 5 20 IIBD Cc1cc(Oc2ncccn2)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C 761892355 SNSXTLHWSJLHSA-UHFFFAOYSA-N 434.861 4.248 5 20 IIBD CC[C@@H]1c2ccsc2CCN1C(=O)COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F 762986946 AFYUCALZCSQDDJ-QGZVFWFLSA-N 434.489 4.152 5 20 IIBD C[C@H](C(=O)O[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1cccc([N+](=O)[O-])c1 763400203 VXDXIXUGWKCXBY-UGSOOPFHSA-N 434.395 4.039 5 20 IIBD Cc1nncn1-c1cccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)c1 765313259 PPAMXDOYKISTFV-UHFFFAOYSA-N 436.653 4.152 5 20 IIBD COc1cc(COC(=O)CSc2ncnc3sc(C)c(C)c23)c([N+](=O)[O-])cc1F 766163771 XCFFAZFLKZMIQF-UHFFFAOYSA-N 437.474 4.200 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)c1[N+](=O)[O-] 768921306 VZJLOVKYLVLXKX-INIZCTEOSA-N 442.394 4.037 5 20 IIBD CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2I)c2ccccc2O1 769327633 DNJISBSWTKGUQF-UHFFFAOYSA-N 438.221 4.017 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCN(Cc3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)CC1 769799641 IALCYTKBLAZNDP-UHFFFAOYSA-N 429.521 4.084 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC(OCCCNC(=O)OC(C)(C)C)CC1 769949468 PKJFXLADFFOVHU-UHFFFAOYSA-N 449.548 4.056 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CCC(n2cc(Br)cn2)CC1 769997738 LLQQQVWOPNHGJM-UHFFFAOYSA-N 428.674 4.076 5 20 IIBD Cc1ccc([C@](O)(Cc2noc(C(F)(F)c3ccc([N+](=O)[O-])cc3)n2)C(F)(F)F)o1 770904682 SJVXSIRWDWCSLZ-OAHLLOKOSA-N 433.289 4.012 5 20 IIBD COCCOc1c(Cl)cc(NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1Cl 773213477 VKMLNILPICDTOM-UHFFFAOYSA-N 428.272 4.286 5 20 IIBD CO[C@@H]1CCC[C@H]1CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 775593154 NVPSHMLUAUZJIG-ORAYPTAESA-N 431.876 4.045 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)c1cccc(Cl)c1O)c1cccc([N+](=O)[O-])c1 775664984 TXRLUDFYLJJVLC-OAHLLOKOSA-N 432.860 4.196 5 20 IIBD CSc1cccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1[N+](=O)[O-] 776824839 DNMDSVWYTCLVBP-UHFFFAOYSA-N 433.445 4.370 5 20 IIBD O=C1/C(=C\NCCc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2C(=O)N1c1ccccn1 777869682 MZOCOTDBWFSXPQ-RGEXLXHISA-N 448.866 4.003 5 20 IIBD CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1Cl 778091220 DEMQNNGMNMKFPL-VBKZILBWSA-N 430.888 4.291 5 20 IIBD CC[C@@H](c1ccccc1)c1nnc(NC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)s1 778264051 BEPLWRWMUYDSIG-LBPRGKRZSA-N 426.483 4.245 5 20 IIBD CCOc1ccccc1OCc1nnc(S[C@H](C)c2cc([N+](=O)[O-])ccc2C)n1N 778552521 IPGRSBZXTFAYAI-CQSZACIVSA-N 429.502 4.040 5 20 IIBD COc1cc(CNc2cccc(N3CCOC3=O)c2C)c([N+](=O)[O-])cc1OCC(F)F 779046662 LODAVZKCTMYQIW-UHFFFAOYSA-N 437.399 4.124 5 20 IIBD CC(C)[C@H](OC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(=O)Nc1ccccc1C(F)(F)F 780068112 JQVLQGLGHXBBQB-INIZCTEOSA-N 426.347 4.139 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1[N+](=O)[O-] 781079461 KDIJFMXRTDEPHU-UHFFFAOYSA-N 447.415 4.223 5 20 IIBD CCCC[C@@H](OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)Nc1cc(C)on1 781267306 FOTJSQPJWYYLFQ-HXUWFJFHSA-N 433.464 4.332 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3noc4c3CCCCC4)CC2)ccc1[N+](=O)[O-] 781490476 OEUVNTZWSMRCHO-UHFFFAOYSA-N 429.473 4.076 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] 782850061 VMTRZXAGKDXXAP-UHFFFAOYSA-N 447.407 4.070 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 784524572 AKXJVSBEBJQKMF-MRXNPFEDSA-N 449.429 4.080 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N(C)Cc2ccc(C(C)C)cc2)cc1[N+](=O)[O-] 784646683 LFHJZCGMANXRGO-UHFFFAOYSA-N 448.317 4.386 5 20 IIBD Cc1nn(C(C)(C)C)cc1C(=O)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 785357365 DWNVSXUFCNSKED-GOSISDBHSA-N 442.516 4.097 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@@H](C)c1cc2ccccc2o1 786474790 FESIZPJUHFUVIP-KSSFIOAISA-N 442.493 4.497 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cccc(CS(=O)(=O)c3ccccc3)c2)c1F 790469802 CHLJZSYRPKKFKQ-UHFFFAOYSA-N 428.441 4.269 5 20 IIBD O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791252608 ZTBNWHGCKYXTHA-UHFFFAOYSA-N 440.637 4.117 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc([N+](=O)[O-])c1C 791692427 DPJVMHBFTZYKSM-LLVKDONJSA-N 426.347 4.115 5 20 IIBD Cc1ccc(-n2ncc(NC(=O)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c2C(C)C)cc1 792375106 GEUZNTOWBSEACU-UHFFFAOYSA-N 441.875 4.443 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(SCC(=O)c3ccc([N+](=O)[O-])cc3)o2)C1 795262830 RWESTDZKLUABCV-AWEZNQCLSA-N 448.501 4.067 5 20 IIBD CCc1onc(-c2ccccc2)c1C(=O)O[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 795928457 AIOVSFGZVMKPSI-GFCCVEGCSA-N 427.388 4.135 5 20 IIBD Cc1cc(C(=O)COC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c(C)n1-c1nccs1 796442912 HOBSCEKFKFDIFR-UHFFFAOYSA-N 427.482 4.163 5 20 IIBD COc1ccc(Cn2cc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)cn2)cc1 803727381 NGJFBEYBSZFNRH-UHFFFAOYSA-N 449.511 4.337 5 20 IIBD O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)Nc1ccc(Br)c([N+](=O)[O-])c1 806367163 JTCBBNAGVRVYNX-CQSZACIVSA-N 448.195 4.231 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@](c2nc(-c3cccc([N+](=O)[O-])c3)no2)(C(F)(F)F)C1 806653451 GKXDTCUWEODVGK-QGZVFWFLSA-N 428.367 4.086 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811216019 CQXSOTJBAITHQR-STQMWFEESA-N 435.502 4.311 5 20 IIBD O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1nc(Br)ccc1F 813305903 OWQMNEJCGSUEBW-UHFFFAOYSA-N 438.234 4.372 5 20 IIBD C[C@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(C(F)(F)F)nc1Cl 815050356 XLEONNZTOCNOLB-ZETCQYMHSA-N 444.218 4.355 5 20 IIBD O=Cc1ccc2ccccc2c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 815059357 QOKZQBKKRYSWDD-UHFFFAOYSA-N 425.340 4.347 5 20 IIBD C[C@@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)N1CCN(c2ccc(F)cc2)CC1 827005635 HBTURBGCDWWBNA-CYBMUJFWSA-N 446.529 4.173 5 20 IIBD CCOc1ccc(NCc2ccc(Cl)cc2[N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 863999342 RGLDIBXNPSORGZ-UHFFFAOYSA-N 439.921 4.044 5 20 IIBD COc1cc(CNc2ccccc2O[C@H]2CC(=O)N2)ccc1OCc1ccc([N+](=O)[O-])cc1 864040093 PSNUBBWPNRXUSP-DEOSSOPVSA-N 449.463 4.019 5 20 IIBD O=C(CCOc1cccc([N+](=O)[O-])c1)O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 915446161 WQTCRNWOSKQDAL-JOCHJYFZSA-N 438.411 4.426 5 20 IIBD Cc1c(C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)oc2c1C(=O)CCC2 915823704 KPQXDNPDMWTUPE-UHFFFAOYSA-N 438.440 4.116 5 20 IIBD O=C(Nc1ccc(OC(=O)c2c(Cl)nc3ccccn23)cc1)c1cccc([N+](=O)[O-])c1 916953706 UWUZQBVGHUMPFQ-UHFFFAOYSA-N 436.811 4.367 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)OC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 919212732 VRFWNTYKSNSTRM-OAHLLOKOSA-N 448.435 4.328 5 20 IIBD CCC[C@H](NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)c1ccccc1 919224873 OXMYZNYVVYZRKP-PBHICJAKSA-N 429.429 4.014 5 20 IIBD Cc1cc(C)cc(C2(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)c1 919471890 JYLSKYFABJSTBF-UHFFFAOYSA-N 436.386 4.444 5 20 IIBD C[C@@H](OC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1Cl 920779676 VXIYOLDBIMETQA-NXEZZACHSA-N 445.230 4.378 5 20 IIBD CCCCCn1nc(-c2nnc(CNc3ccccc3[N+](=O)[O-])o2)c2ccccc2c1=O 1257657130 SKXYRTLOZHSQIL-UHFFFAOYSA-N 434.456 4.157 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@H]3CCCc4cnn(C(C)C)c43)cc2)c(C)c1[N+](=O)[O-] 1321180785 BUFMEJXUESNXLC-FQEVSTJZSA-N 436.516 4.041 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1nnc([C@@H]2COc3ccccc3O2)o1 1322030284 SLHAUCNLNATUER-INIZCTEOSA-N 436.346 4.164 5 20 IIBD CCOc1ccccc1OCc1nnc(-c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)o1 1326497212 FKLVJFCFZBCKLA-UHFFFAOYSA-N 449.467 4.484 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccc(C2(NC(=O)c3cscn3)CCC2)cc1 1786206339 JRGWCKRKTCITBF-SOFGYWHQSA-N 438.465 4.105 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc(F)c4[N+](=O)[O-])cc3)CCC2)on1 1790698534 YLYWXIBLESYUQR-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)Nc1ccc(C2(NC(=O)COC(C)C)CCC2)cc1 1790774832 NQZCWILQJIIVER-UHFFFAOYSA-N 443.475 4.215 5 20 IIBD Cc1ccoc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])[nH]n1 1818174379 MNQPCPPAESRZSR-YXBWYFRISA-N 449.467 4.239 5 20 IIBD CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC2)CCC1 1823709301 FRPGBHVKDGHEGC-FQEVSTJZSA-N 431.508 4.157 5 20 IIBD O=C(C1=CCCC1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830613789 DXTPKNCCJWNLCY-NRFANRHFSA-N 429.492 4.078 5 20 IIBD Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N(C)C2CCCCC2)n1 3520616 WWTXITUDFDAALE-UHFFFAOYSA-N 449.554 4.459 5 20 IIBD O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\c1ccc(OC[C@H]2CCCO2)cc1 14176362 SZYFAJRWLHMYBN-LTKMBJGESA-N 428.828 4.151 5 20 IIBD Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCc2nc3ccccc3c3ccccc23)cc1 14772590 MLAOPMGZXMTLKO-KRWDZBQOSA-N 434.517 4.107 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccc(C)c(C)c3)o2)c([N+](=O)[O-])c1 16833657 YDACVJHWWMPQMU-ZDUSSCGKSA-N 428.470 4.390 5 20 IIBD Cc1cc(C(=O)OCC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)ccc1[N+](=O)[O-] 18199114 IMGRITZOZKIQLQ-HXUWFJFHSA-N 428.441 4.166 5 20 IIBD O=C(NCc1ccccc1CN1CCOCC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 18214095 YVIDAPYKLXLCGX-UHFFFAOYSA-N 446.507 4.101 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Cl)Nc1ccc2c(c1)OC1(CCCC1)O2 25039288 JLJUVWJRBWBNAW-UHFFFAOYSA-N 432.816 4.085 5 20 IIBD CC(=O)Nc1cccc(NC(=O)[C@H](C)Sc2nc3cc4ccccc4cc3c(=O)n2C)c1 26580883 ZDEQODHOULIAKW-AWEZNQCLSA-N 446.532 4.164 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc(OCc3cccnc3)c(Cl)c2)cc([N+](=O)[O-])c1 26919987 XCSUZNLLUSZGKP-UHFFFAOYSA-N 441.827 4.261 5 20 IIBD O=C(Nc1ncn(Cc2ccccc2)n1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 65089824 TVNNNDMDKLNILX-UHFFFAOYSA-N 428.452 4.099 5 20 IIBD CCOc1ccc(Nc2ccc([N+](=O)[O-])c3cnccc23)cc1S(=O)(=O)N1CCCC1 104860955 CBMHRULQKXKHML-UHFFFAOYSA-N 442.497 4.070 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12 195711587 IHWJKRYYHMUXQA-UHFFFAOYSA-N 436.424 4.255 5 20 IIBD O=c1c(Cl)c(N2CCC(COc3ccccc3)CC2)cnn1-c1ccc([N+](=O)[O-])cc1 301171590 KGMFWZBSAAMXIZ-UHFFFAOYSA-N 440.887 4.090 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@H](c1cccc(F)c1)c1ccccn1 301902192 WEDDTLNYLADUJG-GOSISDBHSA-N 437.399 4.327 5 20 IIBD Cc1cc(N2CCC(O)(c3c(F)cccc3F)CC2)c(Br)cc1[N+](=O)[O-] 302718866 ZFHOIIMYIDCYIH-UHFFFAOYSA-N 427.245 4.432 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(Cl)c2Br)c(Cl)c1 320204082 CWCFJBSFXMQYLS-UHFFFAOYSA-N 426.075 4.465 5 20 IIBD O=C(O)[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1ccc(F)c(C(F)(F)F)c1 426720361 MJSQTVWKMQUANA-KRWDZBQOSA-N 425.338 4.020 5 20 IIBD C[C@H]1CN(c2ccc(Cl)c(F)c2)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 429137254 BNWPWEJLEXVZNM-ZDUSSCGKSA-N 431.855 4.148 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@H](C)c2cc3ccccc3o2)cc(Br)cc1[N+](=O)[O-] 430308460 TVUQYJDEVYGFOK-LLVKDONJSA-N 446.257 4.228 5 20 IIBD CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCCN(Cc2ccccc2)C1 430593667 TYNFHKMIGXBTPI-QGZVFWFLSA-N 432.318 4.094 5 20 IIBD Cc1cnc(C2CCN(C(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)CC2)s1 432487093 AZLSRDAQEFZUEH-UHFFFAOYSA-N 439.541 4.241 5 20 IIBD COc1ccc([C@H](N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c2ccc(F)cc2)cc1 433698831 IKYDLZOVAINSJO-DHIUTWEWSA-N 435.455 4.227 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(=O)N1CCc2sccc2C1 435476595 HMHHULJDHYSSON-UHFFFAOYSA-N 445.547 4.392 5 20 IIBD O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 435831358 PTTGSJUQOLLLAY-UHFFFAOYSA-N 429.495 4.215 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(Cl)cc(Br)c2F)cc([N+](=O)[O-])c1 435863540 WXNSTBMRIMFMKM-UHFFFAOYSA-N 431.601 4.189 5 20 IIBD CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437235613 LISJMMDISPOYOD-SFHVURJKSA-N 436.434 4.135 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 438533686 ITHRIRMXIKFDMU-UHFFFAOYSA-N 445.884 4.257 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 438678624 JXLMPGLACYZNJM-UHFFFAOYSA-N 439.451 4.030 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H](c1ccccc1Cl)C(C)C 440073096 DRIBHKDKJIHTQE-LJQANCHMSA-N 433.892 4.441 5 20 IIBD COCc1nc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c(-c2ccccc2)s1 441232999 OGDPZHASSLEJJT-UHFFFAOYSA-N 428.470 4.195 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(C(F)(F)F)c(C)c2)ccc1[N+](=O)[O-] 443928279 OMKFZKBRSWZGTO-SFHVURJKSA-N 435.402 4.474 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCN(C(=O)c2cc3occc3s2)CC1 443943378 GEYOPFXUVRAUHH-UHFFFAOYSA-N 428.470 4.009 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 443954575 BTKHPCBMILYNOX-CQSZACIVSA-N 436.390 4.157 5 20 IIBD Cn1c(CCCNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)nc2ccccc21 444018692 AKXULSIEAQEMLE-UHFFFAOYSA-N 446.457 4.209 5 20 IIBD CCOC(=O)Cc1cccc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1 444087883 MIBBVKVSKWSCTL-UHFFFAOYSA-N 436.414 4.317 5 20 IIBD C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 444411443 OXMSGHFLDHPHSC-JLTOFOAXSA-N 426.860 4.036 5 20 IIBD Cc1cc2c(Br)ccc(C(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)c2o1 444632423 FUIBPUKFPICGEZ-UHFFFAOYSA-N 429.230 4.218 5 20 IIBD Cc1cc(C)c(-c2csc(NC(=O)Cc3noc(-c4cc([N+](=O)[O-])c[nH]4)n3)n2)cc1C 445424785 YCWREKSLOZNQLP-UHFFFAOYSA-N 438.469 4.203 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 446490206 JONHUAOYZHBGKX-UHFFFAOYSA-N 432.864 4.145 5 20 IIBD CCc1noc(CC)c1CNc1ccc(C(=O)c2ccccc2C(=O)OC)cc1[N+](=O)[O-] 447056878 NOUXZVLOGCZSRV-UHFFFAOYSA-N 437.452 4.337 5 20 IIBD Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 447652766 OLHSPBHISMSUOV-UHFFFAOYSA-N 437.200 4.288 5 20 IIBD Cc1c(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cccc1N1CCNC1=O 461042428 JZHXJUCGTKQUMM-UHFFFAOYSA-N 432.436 4.477 5 20 IIBD COc1cccc([C@H]2CCCN2c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCOC2)c1 461639533 GYNYERTXKDHNDZ-HTAPYJJXSA-N 449.511 4.240 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCc4ccsc4C3)n2C[C@@H]2CCCCO2)c1 461813157 WDPUQAVKFXYOIK-SFHVURJKSA-N 425.514 4.047 5 20 IIBD Cc1cc(=NC(=O)c2cccc(OCc3csc(C)n3)c2)c2cc([N+](=O)[O-])ccc2[nH]1 462590038 IHNUELJOWQWBHM-UHFFFAOYSA-N 434.477 4.470 5 20 IIBD COc1ccc(Cl)cc1NC(=O)CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464782498 XHYZOCCMDOFURI-UHFFFAOYSA-N 433.892 4.129 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(OCC3CC3)c(F)c2)cc1OC 469462618 LGWZUNQANGVHEQ-CYBMUJFWSA-N 432.448 4.421 5 20 IIBD COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 470375197 MRFPDAJFEZFNIT-LLVKDONJSA-N 431.832 4.168 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 473337136 CFKAGRPYUGXQSX-UHFFFAOYSA-N 447.419 4.235 5 20 IIBD COc1cc(OC)c2cc(CCCNC(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)[nH]c2c1 475551550 KGMXCSLFVLOFDJ-UHFFFAOYSA-N 426.473 4.464 5 20 IIBD COc1cc(C(=O)Nc2cnn(-c3ccc(Cl)cc3Cl)c2)cc([N+](=O)[O-])c1OC 475780091 NUWMRYTXURDFKC-UHFFFAOYSA-N 437.239 4.357 5 20 IIBD COc1c(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)cccc1[N+](=O)[O-] 476514300 UFPNDZXXTFDKGO-UHFFFAOYSA-N 428.832 4.112 5 20 IIBD CCOc1cc(OCc2nc(-c3ccc(OC(F)F)c(OC)c3)no2)ccc1[N+](=O)[O-] 478725594 UXHBCKUZUCDXBF-UHFFFAOYSA-N 437.355 4.233 5 20 IIBD O=C(NCc1cccc(COCc2ccccc2)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 479639207 LBRJWEPIMCXUJC-UHFFFAOYSA-N 442.475 4.427 5 20 IIBD CC[C@H](NCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 481312958 XIVRBELGHXFXRQ-VGSWGCGISA-N 431.558 4.256 5 20 IIBD Cc1nc(-c2ccc(C)c(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)c2)n[nH]1 482793713 WEODVDCZFUAGLQ-UHFFFAOYSA-N 434.500 4.485 5 20 IIBD COC(=O)[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(OC)c(O)c1 483660048 VFCAHFBSTMEYJR-HXUWFJFHSA-N 428.466 4.041 5 20 IIBD COc1cc([C@@H](C)Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)ccc1OCCO 485385470 CEDLIJPQOHLDCC-CQSZACIVSA-N 427.432 4.349 5 20 IIBD O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 487023199 CSMIZAWYRHTKDU-UHFFFAOYSA-N 444.329 4.102 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC2(CC1)OCCc1ccsc12 487479422 YHPOJJWYFSESQE-UHFFFAOYSA-N 436.917 4.169 5 20 IIBD CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1ccc(Sc3ccc([N+](=O)[O-])cc3)cc1)CC2 488225193 BSTRFOHITFJVFV-NHCUHLMSSA-N 442.537 4.138 5 20 IIBD CN(Cc1csc2ccccc12)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 488885564 MIOXFJDDAKUZPF-UHFFFAOYSA-N 441.328 4.393 5 20 IIBD CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)CC2 489523304 YMVYGORTEDNOFY-NHCUHLMSSA-N 442.537 4.138 5 20 IIBD Cn1c(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])nc2cc(Cl)ccc21 490618300 IQFSDFWZHYGOIW-UHFFFAOYSA-N 442.781 4.006 5 20 IIBD O=C(CCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccc(Br)cc1F 490824118 HDPVGPCVDWSIOA-UHFFFAOYSA-N 436.281 4.490 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)c1ccc(NC(N)=O)cc1 493072083 QYXTVKBOVMQLAY-HNNXBMFYSA-N 433.468 4.189 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cc(F)ccc2SCC(F)F)cc1[N+](=O)[O-] 494036961 HUIGQGXXPRGTRT-LLVKDONJSA-N 441.431 4.215 5 20 IIBD CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])cc1 495264354 HZOFDQAJWQGDDC-KRWDZBQOSA-N 442.516 4.423 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(N[C@H](C)c2ccccc2)CCOCC1 500453868 DTKBMQIVKYUMJN-MSOLQXFVSA-N 443.569 4.092 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@@H](c1ccc(Cl)cc1)c1cccs1 500787571 NJRZHLKIUAVOGJ-IBGZPJMESA-N 443.868 4.123 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N(Cc1csc(Br)c1)C1CC1 502399557 GOHMCBPVKLYMPY-UHFFFAOYSA-N 447.314 4.409 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NC3CCN(CC(C)C)CC3)cc2[N+](=O)[O-])n1 502624023 SQTVEECCESDGOU-UHFFFAOYSA-N 434.587 4.361 5 20 IIBD CC[C@@H](CSc1ccccc1[N+](=O)[O-])Nc1cccc(N2C(=O)CCNC2=O)c1C 503938157 RNUMHFRJTFKQJD-HNNXBMFYSA-N 428.514 4.332 5 20 IIBD Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cc([N+](=O)[O-])n[nH]1 508392093 NLVYCHUZYZKAOF-UHFFFAOYSA-N 433.346 4.150 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCC[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1SC 510196934 XTYKRKMKYZVPAU-FUHWJXTLSA-N 443.569 4.356 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 512263339 RRROVPGIVPMEHL-HXOBKFHXSA-N 442.947 4.173 5 20 IIBD CCN1CCN([C@H]2CCN(Cc3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)C2)CC1 513447713 OVJKYUXGMNHXFW-FQEVSTJZSA-N 444.963 4.252 5 20 IIBD COc1cc(C(=O)N2CCC[C@H](COc3ccccc3Cl)C2)cc([N+](=O)[O-])c1OC 513890707 RUKPQKZDBRKUIJ-AWEZNQCLSA-N 434.876 4.197 5 20 IIBD CCCc1nc(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])nn1-c1ccccc1Cl 516883827 LWXKDJGDQOCVOU-UHFFFAOYSA-N 427.892 4.096 5 20 IIBD Cc1ccc(NC(=O)CN(C)C(=O)COc2ccc(-c3ccccc3)cc2[N+](=O)[O-])cc1 517914693 TZAYEHJPURRBPS-UHFFFAOYSA-N 433.464 4.046 5 20 IIBD Cc1cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1C(=O)NC(C)C 519464695 XHSMQGSCAMAHJP-UHFFFAOYSA-N 427.504 4.240 5 20 IIBD CCOC(=O)C[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(F)cc1 519944084 GSKWLSDDQALWOD-CQSZACIVSA-N 441.362 4.151 5 20 IIBD COc1cc(OCC(=O)N[C@@H](C)c2ccc(-c3csc(C)n3)cc2)ccc1[N+](=O)[O-] 519985216 BTMPXFKWIUCTIL-ZDUSSCGKSA-N 427.482 4.292 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1 520838604 ISWBDYUXZXKRGV-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCC1CCN(Cc2cccs2)CC1 523958482 WEHBPVGXOIZILP-UHFFFAOYSA-N 437.949 4.107 5 20 IIBD COc1cc(C(=O)N(Cc2cccc(Br)c2)C(C)C)cc([N+](=O)[O-])c1OC 525042048 PHAPCLQJTCQUSG-UHFFFAOYSA-N 437.290 4.425 5 20 IIBD Cc1c(C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)cccc1[N+](=O)[O-] 525580988 YELCQDGZLOHWIZ-UHFFFAOYSA-N 429.274 4.357 5 20 IIBD O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1cc(-c2ccccc2)ccc1Cl 527149765 GPFDRUAMXGYNDO-UHFFFAOYSA-N 435.823 4.150 5 20 IIBD COc1ccc(CNc2cccc(-n3ccnn3)c2)cc1OCc1ccc([N+](=O)[O-])cc1 531758974 ZVGIAUYYKNURLX-UHFFFAOYSA-N 431.452 4.375 5 20 IIBD O=C(N[C@@H]1CCN(c2ncccc2F)C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 532622742 PMYLTBMTYWHJPO-MRXNPFEDSA-N 438.484 4.289 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCSc1nnc(C)n1[C@H]1CCC[C@@H](C)C1 534606328 PAGIQSNJAWXOIN-HIFRSBDPSA-N 433.534 4.375 5 20 IIBD O=C(CC[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Nc1cccc(Cl)c1 535510441 KOHJWENEHONCJD-LJAQVGFWSA-N 433.873 4.181 5 20 IIBD C[C@@H](c1ccco1)N(C(=O)c1cc(I)cc([N+](=O)[O-])c1)C1CC1 535734794 GBPYUMIWAVHRNL-JTQLQIEISA-N 426.210 4.158 5 20 IIBD CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)cc21 536127016 GAQPRQGOWOKDNR-UHFFFAOYSA-N 436.468 4.029 5 20 IIBD Cc1c([C@H](C)NCc2ccc(Br)cc2N2CCOCC2)cccc1[N+](=O)[O-] 536851292 IQESYSUXINIXDW-HNNXBMFYSA-N 434.334 4.353 5 20 IIBD Cc1c([C@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cnn1-c1ccc(F)cc1 537160704 FDVDACACPWNMFT-LBPRGKRZSA-N 431.855 4.171 5 20 IIBD Cc1ccc([C@H](C)NCc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)cc1[N+](=O)[O-] 539378548 FIIMOASAFLQWLS-NSHDSACASA-N 440.813 4.402 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 539764910 DPNLVNQMNKGABW-GOSISDBHSA-N 440.548 4.277 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 540780689 NCMTWNJRYPETTO-RBUKOAKNSA-N 449.429 4.186 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CN2CCOCC2)c(Cl)c1 544138135 FFZYLKYRYMJGLO-UHFFFAOYSA-N 435.933 4.445 5 20 IIBD Cc1ccc(-c2noc(-c3ccc(Cl)c(S(=O)(=O)N4CCCC4)c3)n2)cc1[N+](=O)[O-] 544966143 RKKRRQKJKYPUOK-UHFFFAOYSA-N 448.888 4.058 5 20 IIBD CN(C)C(=O)N1CCC(c2nc(-c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3)no2)CC1 545069990 GTOWSZKOPDFJNH-UHFFFAOYSA-N 437.456 4.298 5 20 IIBD C[C@H]1CCCN1C(=O)c1ccc(-c2noc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)n2)cc1 545144882 VXLUCQBWINXWCG-AWEZNQCLSA-N 431.452 4.341 5 20 IIBD COc1cc([C@H](C)NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCCC(C)C 545384929 QOHSCCJXHUGCNK-INIZCTEOSA-N 436.530 4.209 5 20 IIBD COCCOc1ccc(Cl)cc1-c1noc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 545762706 CVXWXZLSHUNOOO-UHFFFAOYSA-N 428.832 4.396 5 20 IIBD CCCc1c(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cnn1-c1cc(C)ccn1 546207692 DJQRDLRRCSRBKZ-UHFFFAOYSA-N 444.289 4.451 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 552617550 SMPIGXKTYNDTLE-UHFFFAOYSA-N 425.876 4.021 5 20 IIBD CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 554391895 DFAFCVPZGJXSFY-UHFFFAOYSA-N 434.470 4.154 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccnc(-c4cncs4)n3)cc2[N+](=O)[O-])C1 561787177 KEOGULKCZITCTN-ZIAGYGMSSA-N 438.513 4.243 5 20 IIBD CC(C)COC[C@@H](NCc1cc(I)cc([N+](=O)[O-])c1)c1ccco1 572684359 BRVPUZXBWPUGCV-MRXNPFEDSA-N 444.269 4.296 5 20 IIBD CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 577083481 AGGOFQMJCSGFOG-UHFFFAOYSA-N 446.710 4.059 5 20 IIBD CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)[C@H]2C1 577916972 IUDSCDXTVMXDFM-DZFGPLHGSA-N 445.585 4.254 5 20 IIBD C[C@H](Nc1cccc(COCC(F)(F)C(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 604046299 XRZQYFGSEMDEJO-LBPRGKRZSA-N 429.370 4.451 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])N1CCc2[nH]c3ccc(Br)cc3c2C1 604264535 JDQUAEXXYVMOQW-UHFFFAOYSA-N 444.285 4.192 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)N(CCCn1ccnc1)Cc1c(F)cccc1Cl 604476283 JELJPWGMJTWBSW-UHFFFAOYSA-N 445.882 4.386 5 20 IIBD CCn1c([C@@H](C)NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)nc2ccccc21 604479947 IINOGZQZHBMSDW-CQSZACIVSA-N 428.514 4.084 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNC2CCN(CC3CC3)CC2)cc1 608836179 VFCABEOPILLPSH-UHFFFAOYSA-N 431.540 4.412 5 20 IIBD CN(Cc1cccc(NS(=O)(=O)c2ccccc2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 609042913 GUEGLIHCYAUXMI-UHFFFAOYSA-N 440.481 4.060 5 20 IIBD CCOc1cc(CN(C)C(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)ccc1OC(F)F 609493822 KITNUOQGKFRMJD-UHFFFAOYSA-N 447.394 4.121 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCc3ccc(O)cc3CC2)cc1 609921309 HSDQHIQKOCLBMN-UHFFFAOYSA-N 434.448 4.342 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(C(F)(F)C(F)(F)F)cc2)cc1[N+](=O)[O-] 610609175 LYQXUMJTLGXPPA-NSHDSACASA-N 445.344 4.373 5 20 IIBD C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N(C)c2cccc([N+](=O)[O-])c2)cc1 611090748 QHCUPOIPBIHAQH-CALCHBBNSA-N 425.485 4.040 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC(Cc2ccc(C(F)(F)F)cc2)C1 611211902 JYVMKICTFVHQDQ-UHFFFAOYSA-N 430.386 4.114 5 20 IIBD CC(C)(CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1ccncc1 611259707 CDNPCZQJVSQSPS-UHFFFAOYSA-N 434.283 4.190 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cc1OC 612521388 MOIAWZWVSQHDOM-LJQANCHMSA-N 447.919 4.222 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]1c1nc2ccccc2n1C(C)C 619489055 ZLXOAHTVOWVEIA-SFHVURJKSA-N 444.513 4.060 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2ccccc2Br)C1 725728193 GHSWJLOATLUOPL-QGZVFWFLSA-N 437.315 4.050 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1[N+](=O)[O-] 725948736 UWYUMQBPEUMFRN-SECBINFHSA-N 446.765 4.460 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)OCc2csc(-c3ccc4c(c3)OCO4)n2)cc1[N+](=O)[O-] 726638574 NZQUJJGUKSRNED-UHFFFAOYSA-N 443.393 4.021 5 20 IIBD CC(C)c1nc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cs1 726689984 QLSLTZBZIQUTHL-LLVKDONJSA-N 446.510 4.482 5 20 IIBD C[C@@H]1CCN(C(=O)c2ccc(I)c([N+](=O)[O-])c2)[C@@H]2CCCC[C@@H]12 727749968 WKCNBECIYKFEDU-OSAQELSMSA-N 428.270 4.240 5 20 IIBD CCSc1ccc([C@H](C)NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cc1 728834989 HHLPNHIMOHIQQW-DZGCQCFKSA-N 431.489 4.076 5 20 IIBD O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@H]1COC(=O)C1(c2cccc(F)c2)CCC1 730705346 VABOVGZEMXEWQH-GOSISDBHSA-N 426.444 4.004 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1cccc(S(=O)(=O)Cc2ccccc2)c1 730753848 XBVCSUVLLPIMGT-UHFFFAOYSA-N 430.869 4.474 5 20 IIBD CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 732105909 ULRVJGSKIUXJOE-OAQYLSRUSA-N 446.529 4.142 5 20 IIBD O=C(OCc1ccc(Cl)cc1Cl)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 733557242 LNUGNXLRSKBYPW-ZDUSSCGKSA-N 429.281 4.311 5 20 IIBD O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)OCc1cc([N+](=O)[O-])ccc1Cl 734975092 NJNOADMBCVFZOD-HNNXBMFYSA-N 427.265 4.448 5 20 IIBD COc1cc(N2CCC(OC(=O)CCC(=O)c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] 739385518 SDLSMHWKUNEJLK-UHFFFAOYSA-N 446.887 4.432 5 20 IIBD C[C@H]1CCC[C@H](C)N(C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 741609847 JABGLZXSKVDKJT-HOTGVXAUSA-N 432.498 4.013 5 20 IIBD CCOc1cccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2I)c1 745082103 MSBRBMLZVZEUML-LLVKDONJSA-N 440.237 4.089 5 20 IIBD CC[C@@H]1c2ccsc2CCN1C(=O)COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 745565569 SHMGNNJJKSTUTF-CQSZACIVSA-N 442.415 4.368 5 20 IIBD CC(C)Oc1ccc(CC[C@@H](C)NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 746790700 RBSMYMOLJIFMAN-CQSZACIVSA-N 433.892 4.111 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1F)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 746982092 LQCORNXDPAWOAU-LJQANCHMSA-N 426.366 4.232 5 20 IIBD O=C(COC(=O)c1cc(-c2cccc(Cl)c2)no1)Nc1cc([N+](=O)[O-])ccc1Cl 748923639 IRVANDPJAVAFCY-UHFFFAOYSA-N 436.207 4.352 5 20 IIBD C/C(=C\C(=O)O[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1OC(F)F 753536553 QPIBWVLSTBGILQ-ZKQHCESOSA-N 438.358 4.309 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]1C[C@@H](O)c1cccs1 754396870 GGMMDUWGJYADKC-XHDPSFHLSA-N 425.304 4.147 5 20 IIBD CC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c1 754969162 SSJLIIRAOUGSMV-UHFFFAOYSA-N 430.617 4.361 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1cccc([N+](=O)[O-])c1N)c1ccccc1 758958337 SOBRWPJLPQEDTR-OAQYLSRUSA-N 435.436 4.031 5 20 IIBD C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 759846946 SNWWOIXOIVAEOK-LLVKDONJSA-N 439.251 4.292 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(N2CCC[C@@H]2C(C)C)c(F)c1 760436268 RRBHOXXCFIUFCE-ZWKOTPCHSA-N 446.527 4.230 5 20 IIBD CC1CCN(CC(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)CC1 761840536 GBNGGDICDLNQMV-UHFFFAOYSA-N 431.876 4.138 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(-c3nc(-c4ccnc(-n5ccnc5)c4)no3)cc2[N+](=O)[O-])C1 762049582 QHOBBKMHNJXMSL-HZPDHXFCSA-N 445.483 4.375 5 20 IIBD C[C@H](c1ccc(Br)cc1)c1noc(Cn2ncc3ccc([N+](=O)[O-])cc32)n1 762341004 ONIDPMMCPSZEJM-LLVKDONJSA-N 428.246 4.290 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 762967451 PCSBSWHHIOWDAC-GOSISDBHSA-N 442.516 4.328 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])Cn1nc(-c2ccccn2)n(Cc2ccco2)c1=S 764882834 PWXXFFHGUNKXFU-UHFFFAOYSA-N 436.497 4.115 5 20 IIBD O=C(OC[C@H]1CC(=O)N(C2CC2)C1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 765613014 QBCOJWWOFSDQDJ-AWEZNQCLSA-N 443.887 4.028 5 20 IIBD CCS[C@@H](C)c1noc(COC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)n1 767273022 HLZDQVDJFBAZSY-AWEZNQCLSA-N 445.501 4.011 5 20 IIBD Cc1ccc(F)c(OCC(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 767530257 SPOVSPIWUVGPNX-LLVKDONJSA-N 444.337 4.010 5 20 IIBD Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 769704207 UFXZLDFUHBAAQQ-UHFFFAOYSA-N 427.464 4.019 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCc2cccc(NC(=O)OC(C)(C)C)c21 773023068 XKVOZXCNGXSURL-UHFFFAOYSA-N 433.486 4.002 5 20 IIBD C[C@@H](OC(=O)c1sc(Br)cc1[N+](=O)[O-])c1nnc(-c2cccs2)o1 773605972 NVPLGHUTQZUWFD-ZCFIWIBFSA-N 430.261 4.448 5 20 IIBD O=C(Nc1cccc2cc[nH]c12)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 773946919 OSVMPLOEHHBUJZ-UHFFFAOYSA-N 437.433 4.096 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)OCc2cnc(C(C)(C)C)s2)ccc1[N+](=O)[O-] 774537134 XYJCWWMPAMAUTJ-KRWDZBQOSA-N 431.514 4.005 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2c(F)cc(Cl)cc2F)cc1Br 774624545 ZYULHDMXQSFJFQ-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD Cc1cc(Br)ccc1CC(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 778902030 FWPLHYXSVBMGKK-UHFFFAOYSA-N 441.665 4.044 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1csc(-c2ccc(F)c(F)c2)n1 780130842 HWKPSGUXUXOTGR-UHFFFAOYSA-N 444.375 4.404 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781258187 RDWNMBUSLRSAPZ-UHFFFAOYSA-N 440.358 4.233 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N[C@@H]1CCCc2cc(OC(F)F)ccc21 781619974 XDZVVPHYXZQSKK-QGZVFWFLSA-N 435.383 4.231 5 20 IIBD CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781623426 RDHVUOXXRQWKPU-PGRDOPGGSA-N 427.457 4.062 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1N1CCc2c(ncn2CCc2ccccc2)C1 784168441 UFEGXPDWKUVYSU-UHFFFAOYSA-N 427.302 4.359 5 20 IIBD Cc1nc(-c2ccccc2)sc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 784173897 IEGSDLFJKLOTCR-CQSZACIVSA-N 440.456 4.157 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)c1cnc(O)c2ccccc12)c1cccc([N+](=O)[O-])c1 786795441 MFAHBEWMPOYUGK-KRWDZBQOSA-N 449.463 4.090 5 20 IIBD O=C(COc1ccc(-c2ccccc2)cc1)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 789748496 XZQVGVBYRBLIBA-UHFFFAOYSA-N 431.404 4.434 5 20 IIBD COc1ccc(Br)c(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c1 790541595 ICWGGJMVRPUUDC-UHFFFAOYSA-N 431.645 4.017 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cnc(Br)c(Br)c1 791640615 SAHIAYDITLKWFR-UHFFFAOYSA-N 445.067 4.166 5 20 IIBD O=[N+]([O-])c1c(N[C@H](CO)c2ccc(Br)cc2C(F)(F)F)nc2ccccn12 795289065 WNOAOZDJQBMFFX-GFCCVEGCSA-N 445.195 4.169 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 798050275 MCJOORVKDQCPLW-AULYBMBSSA-N 441.793 4.268 5 20 IIBD C[C@H](OC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(C(F)(F)F)cn1 798669407 MADVWLYJPXCPKZ-NSHDSACASA-N 439.346 4.001 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 800148540 OKHNWWGBYSGZJE-UHFFFAOYSA-N 433.395 4.091 5 20 IIBD CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@H](c2ccncc2)C1 800332383 RNSOSFFONRBGCD-SFHVURJKSA-N 446.891 4.077 5 20 IIBD Cc1ccc(-c2nc(C)sc2CC(=O)OCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 800616445 MONUZVRUHLQEAD-UHFFFAOYSA-N 439.493 4.084 5 20 IIBD CN(C)c1ccc(COC(=O)c2nc3ccccc3cc2Br)cc1[N+](=O)[O-] 808727423 HFSLKDMONQNXGI-UHFFFAOYSA-N 430.258 4.329 5 20 IIBD CC(C)c1scnc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 810329661 FJAKFUFEZAEQLL-UHFFFAOYSA-N 428.436 4.156 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)NCc2ccc3sccc3c2)cc1[N+](=O)[O-] 810432508 BCFZHYWCWGHNMJ-UHFFFAOYSA-N 448.298 4.135 5 20 IIBD CSc1ccc(C(=O)N2CCC([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1[N+](=O)[O-] 810951360 ROQSEBGYTHHRTH-QGZVFWFLSA-N 449.573 4.426 5 20 IIBD O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CC(c2cc(F)ccc2F)=NO1 811220292 DUYFYSVPZQKOMT-SFHVURJKSA-N 445.403 4.233 5 20 IIBD Cc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc(N2CCCC2)n1 811623293 ZGIRFNNIOZRKDB-UHFFFAOYSA-N 437.544 4.065 5 20 IIBD O=C(Cc1csc(-c2cccc(F)c2)n1)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 813174526 WPRUSMGIHACTLF-FQEVSTJZSA-N 441.484 4.218 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)ccc1Br 814397981 GBHSUTWIRVFYHA-KRWDZBQOSA-N 437.315 4.273 5 20 IIBD O=C(CCCNC(=O)c1ccc(F)cc1F)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F 815175858 GJCAHAOTNUIGFL-UHFFFAOYSA-N 446.328 4.145 5 20 IIBD C[C@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 827005658 IDOFMVOUOZUURX-RYUDHWBXSA-N 445.522 4.334 5 20 IIBD O=C(COC(=O)COc1c(Cl)cccc1Cl)Nc1cc([N+](=O)[O-])ccc1Cl 849201709 UCDKSTYAHBQZTF-UHFFFAOYSA-N 433.631 4.116 5 20 IIBD Cc1ccccc1Cc1noc(-c2cc([N+](=O)[O-])cc(I)c2C)n1 904646116 QCVUZBONAYJULI-UHFFFAOYSA-N 435.221 4.457 5 20 IIBD Cc1sc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c(C(N)=O)c1-c1ccccc1 913193644 PRGOQQATTWSCIL-UHFFFAOYSA-N 447.476 4.169 5 20 IIBD Nn1c(COc2c(Cl)cccc2Cl)nnc1SCc1cc(F)ccc1[N+](=O)[O-] 915794118 GPDYHWRFHUZOOK-UHFFFAOYSA-N 444.275 4.217 5 20 IIBD COc1ccccc1[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)NC(=O)OC(C)(C)C 917732442 MLPAGOOJBWFPAR-KRWDZBQOSA-N 449.891 4.253 5 20 IIBD Cc1ccc(C(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)c(O)n1 917953245 XJLWLKCTPWNBOJ-UHFFFAOYSA-N 427.800 4.129 5 20 IIBD C[C@@H](OC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 917960599 JFIJMFIPBSIQFR-SECBINFHSA-N 429.281 4.397 5 20 IIBD Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 919196163 PPTQKLPTALVHLL-ZDUSSCGKSA-N 440.374 4.337 5 20 IIBD CCc1ccc([C@@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c2cccc(F)c2)cc1 1317922462 HNRKTUIJEJMVDO-HSZRJFAPSA-N 445.454 4.396 5 20 IIBD CCc1ccc(-c2nc(C(=O)O[C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)cs2)cc1 1318354202 UAVOQBIVGUXMEP-LJQANCHMSA-N 437.477 4.243 5 20 IIBD Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 1319229615 JHOLZXVBMJJZKB-UHFFFAOYSA-N 449.250 4.098 5 20 IIBD CCc1ccc([C@H](NCc2cccc(CN3CCN(C)CC3)c2)c2ccc([N+](=O)[O-])cc2)o1 1320377699 BYADDCHFINZGFK-AREMUKBSSA-N 448.567 4.377 5 20 IIBD COC(=O)C[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(C)cc1 1321091046 MITULRMVYMUJNN-KRWDZBQOSA-N 439.390 4.026 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1n[nH]c(-c2cccc(Cl)c2)n1 1516620730 DXWLKJDBZQLGPM-UHFFFAOYSA-N 433.877 4.024 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@H]3CC=CCC3)cc2)CCC1)c1ccc(O)c([N+](=O)[O-])c1 1790468588 BJNXUAAQXKYRES-INIZCTEOSA-N 435.480 4.404 5 20 IIBD CC[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1800526039 CVGOBSUSBGLHMP-MRFPZENKSA-N 431.508 4.202 5 20 IIBD C[C@@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccccc1 1800526055 DWPGEGVRNACIJJ-KQLYMOGASA-N 439.487 4.180 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CC(C)C)n[nH]1 1816767386 HMNYCAVVDSYYOT-QGZVFWFLSA-N 431.468 4.117 5 20 IIBD CSc1ccccc1NC(=O)[C@@H](C)OC(=O)Cn1c2ccccc2c(=O)c2ccccc21 11277662 TWJUTIRGZGIHFH-MRXNPFEDSA-N 446.528 4.447 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccc(NC(=O)C4CC4)cc3)cc2)c(C)c1[N+](=O)[O-] 12436220 PBEMOLPAYLEVEU-UHFFFAOYSA-N 433.468 4.057 5 20 IIBD CCc1ccccc1NC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 14709745 VVTILAJYFCLSHZ-UHFFFAOYSA-N 426.450 4.177 5 20 IIBD CC(C)c1cccc(C(C)C)c1NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 14737410 ZLQDCXQPVOHASW-UHFFFAOYSA-N 433.530 4.101 5 20 IIBD CCN(C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 21345623 KGGGRNKRLKPYLX-UHFFFAOYSA-N 441.557 4.305 5 20 IIBD CCc1nc2ccc(C(=O)OCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])cc2nc1CC 22041482 GHPMQSMOEJRJDS-UHFFFAOYSA-N 442.859 4.112 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)CCc1ccc(-c2ccccc2)o1 23641635 ISBNBKVXBJGXCU-HNNXBMFYSA-N 438.436 4.366 5 20 IIBD Cc1ccc(C(=O)C2CCN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])CC2)c(C)c1 26639244 IQLAZDOCZIHVPI-UHFFFAOYSA-N 429.904 4.398 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@@H](C)C2)c1C 32632367 ZCOQEAHMAIFSSF-GASCZTMLSA-N 445.541 4.131 5 20 IIBD COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COc2ccc([N+](=O)[O-])cc2F)cc1 60807126 JGRMPGMWXUNMNC-QFIPXVFZSA-N 449.438 4.499 5 20 IIBD COc1ccc(C2(CNC(=O)c3nnn(-c4cccc([N+](=O)[O-])c4)c3C)CCCCC2)cc1 72036601 VGFWBQPIVZNNEV-UHFFFAOYSA-N 449.511 4.124 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2ccc(Cl)c([N+](=O)[O-])c2)cc1 104907950 BLJFKANRHLVYPM-AWEZNQCLSA-N 425.938 4.130 5 20 IIBD COCCN(CC(F)F)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 110211491 SIXAUQJSQZMGTF-UHFFFAOYSA-N 444.818 4.403 5 20 IIBD COc1cc(C(=O)N2CCC[C@H](N(C)C)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 111134476 PVWPSCRZNVVBST-INIZCTEOSA-N 433.892 4.215 5 20 IIBD COc1ccc(N(Cc2cccs2)C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 216333331 AIUJNRHEGTYUOK-HNNXBMFYSA-N 439.493 4.017 5 20 IIBD COc1ccc(CNCc2ccccc2CN2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] 237538310 ZZDOYJDLHGQGBP-UHFFFAOYSA-N 446.551 4.215 5 20 IIBD Cc1cccc(C(=O)Nc2ccc(-n3ncc(C(=O)O)c3C(F)(F)F)cc2)c1[N+](=O)[O-] 237919799 RUEPSEXEMGHGKR-UHFFFAOYSA-N 434.330 4.058 5 20 IIBD CC(=O)c1ccc(N[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c([N+](=O)[O-])c1 302064662 TZZUUKVTUPNUHO-SFHVURJKSA-N 435.402 4.419 5 20 IIBD CC(C)(C)c1csc(-c2cccc(Oc3cccc(S(N)(=O)=O)c3[N+](=O)[O-])c2)n1 302160043 XVSJBBYCVCMASD-UHFFFAOYSA-N 433.511 4.456 5 20 IIBD C[C@H](CCNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1cccc(C(F)(F)F)c1 426027557 IIJCWLGQVLMNCJ-CQSZACIVSA-N 439.438 4.350 5 20 IIBD COc1cc([C@H](C)NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc(OC)c1OC 426057161 GVCMUBUVTALILO-AWEZNQCLSA-N 429.473 4.056 5 20 IIBD O=C(O)[C@H](NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1cccs1 426813797 ZSEYRUIJAGJULQ-OAQYLSRUSA-N 434.477 4.425 5 20 IIBD CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H](c1ccc(Cl)cc1)c1cnccn1 426844407 ZQEAWETZPKXAFO-HXUWFJFHSA-N 446.294 4.352 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 429202005 HPDZNZPVNJUTEP-QGZVFWFLSA-N 440.500 4.036 5 20 IIBD Cc1ccccc1[C@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)C(C)C 430336842 ZYWVXCORKFYQIQ-GOSISDBHSA-N 448.317 4.426 5 20 IIBD CCc1cc(=NC(=O)c2cccnc2SCc2cc(C)on2)c2cc([N+](=O)[O-])ccc2[nH]1 432999870 USBRVBVLSKGPIZ-UHFFFAOYSA-N 449.492 4.363 5 20 IIBD CCOC(=O)c1cc(N2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)ccc1[N+](=O)[O-] 433711991 DMGUZYLGPFIYGU-QGZVFWFLSA-N 440.500 4.118 5 20 IIBD Cc1nc(C)c(NC(=O)c2ccccc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)s1 434372414 HTLJGKRGMZGMCR-UHFFFAOYSA-N 446.510 4.030 5 20 IIBD CCC[C@H]1CCc2nc(NC(=O)C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)sc2C1 434810736 ZWTOTOJOPFTBLS-KGLIPLIRSA-N 430.530 4.081 5 20 IIBD Cc1nc2ccccc2n1CCCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436116239 UHABZVNKUJEIBT-UHFFFAOYSA-N 446.457 4.438 5 20 IIBD O=C(N[C@H]1CCCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1)c1cc2ccccc2o1 436409590 NDZBRNWAXFBQFM-ZDUSSCGKSA-N 434.374 4.154 5 20 IIBD C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] 436427763 HXUXKHDKONYEID-VLIAUNLRSA-N 440.887 4.179 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)cn2)cc1 437058016 ORXORJXEXHLXHQ-UHFFFAOYSA-N 446.463 4.220 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cccc(Br)c1 438806426 DNQMEYKFCSBAGT-UHFFFAOYSA-N 426.075 4.465 5 20 IIBD COc1cccc([C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2Cl)c1 441956998 TUZSXZGWSPEVFI-FQEVSTJZSA-N 439.855 4.101 5 20 IIBD C[C@@H]1CCN(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)[C@@H]1CO 443625231 UAJPNMLWUDDZQC-SJKOYZFVSA-N 437.855 4.092 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1C[C@H](n2cccn2)Cc2ccccc21 443931690 ZIVAINKVHNFWNI-OAHLLOKOSA-N 446.385 4.177 5 20 IIBD CC(C)CN1CCCC[C@H]1CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444239815 CHKFMTDSLSJJRD-KRWDZBQOSA-N 427.495 4.200 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(CSc3nnc(-c4ccc5ccccc5c4)o3)n2)n1C 445611338 ARDDLNAJABOOBF-UHFFFAOYSA-N 449.452 4.182 5 20 IIBD Cc1cccc(NC2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)c1 447036979 JGIZAAFRGRMJPV-UHFFFAOYSA-N 443.447 4.187 5 20 IIBD O=C(NCC1(c2ccccc2Cl)CCOCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 447383050 KGRAYRVXBRIKJN-UHFFFAOYSA-N 429.904 4.064 5 20 IIBD COc1cc(C(=O)N2CCC(Nc3cccc(Br)c3)CC2)cc([N+](=O)[O-])c1C 447688745 HZVIWJHRLUILSK-UHFFFAOYSA-N 448.317 4.391 5 20 IIBD CCN(c1ccccc1)c1ccc(CNC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 461425187 CPXVOSKQDOXOLG-SFHVURJKSA-N 446.507 4.188 5 20 IIBD CC(C)N(Cc1cccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 461577604 JXZDMYQDQWZNOR-INIZCTEOSA-N 427.530 4.366 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(Cc2ccsc2)n1C[C@H]1CCOC1 461706299 STCIZZJVTABPFR-LJQANCHMSA-N 441.557 4.290 5 20 IIBD C[C@@H](c1cccc(O)c1)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCO1 461811280 RWLSJBANXFYXDF-KKSFZXQISA-N 437.500 4.325 5 20 IIBD CNc1c(C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)cccc1[N+](=O)[O-] 462990657 ISMWARBSXNKYSV-UHFFFAOYSA-N 444.289 4.091 5 20 IIBD C[C@H](NCc1c(F)cccc1[N+](=O)[O-])c1ccc(Br)cc1OCCCO 463366075 IHXUQTFSEUZKTH-LBPRGKRZSA-N 427.270 4.108 5 20 IIBD CCO[C@H](C)c1ncc(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 463654434 WIOKFFBBZNIIPZ-SNVBAGLBSA-N 432.424 4.010 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@H]2CCCCC23CCCC3)cc(Br)cc1[N+](=O)[O-] 463973509 MIDPGVBRDFPUGD-INIZCTEOSA-N 438.322 4.223 5 20 IIBD CCCCOc1ccc([C@@H](C)NC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1OC 464037846 HSJFEBSQORSROV-MRXNPFEDSA-N 443.500 4.215 5 20 IIBD CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 464660760 JDFUHCIRVQBMCO-UHFFFAOYSA-N 443.475 4.402 5 20 IIBD Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1NC(=O)CCN(C)C 466267643 YCDGHWJAXPJISC-UHFFFAOYSA-N 438.406 4.065 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)CCOc1ccc(Br)cc1F 466502326 IHZBDUCHMQQDMQ-UHFFFAOYSA-N 427.226 4.303 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 466508741 PXUROONUPLXHNF-UHFFFAOYSA-N 431.404 4.046 5 20 IIBD CSc1ccc([C@H](C)NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 466590331 ZTZQADMMLJKBMW-LBPRGKRZSA-N 429.527 4.087 5 20 IIBD CC[C@H](C)c1ccc([C@H](NC(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)C(C)C)cc1 468172958 DTIDUCDJPIWVTH-LHSJRXKWSA-N 447.557 4.191 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccc(F)cc1F 468369706 ABOAXYJTMPEFCQ-GOSISDBHSA-N 447.467 4.280 5 20 IIBD Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 470072716 MFRSJTCJWVBYLU-XZOQPEGZSA-N 439.512 4.376 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1 470828268 ZYUFWVUAOFEACN-UHFFFAOYSA-N 440.500 4.060 5 20 IIBD COc1ccc(CNC(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)cc1[N+](=O)[O-] 471990539 DZEXXXRYFDBYCE-HXUWFJFHSA-N 426.860 4.241 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 472254718 GAFUCRLHCQZZBG-MRXNPFEDSA-N 426.416 4.309 5 20 IIBD O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 472281977 DIYJYWCMFPSQDK-OAHLLOKOSA-N 440.399 4.273 5 20 IIBD Cc1cc(-c2noc([C@@H](C)NC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)ccc1F 472395381 ODASGAIFGWIXJY-NEPJUHHUSA-N 448.838 4.390 5 20 IIBD Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 472844188 CLMPXWQVEDMCLO-MRXNPFEDSA-N 449.467 4.036 5 20 IIBD Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1F 477444499 DTFGMIKPDZFRDV-HUUCEWRRSA-N 427.476 4.342 5 20 IIBD CC(C)C(=O)NC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 478310666 HEGIGHWGOVABAH-UHFFFAOYSA-N 427.526 4.123 5 20 IIBD CSc1nc(-c2ccco2)nc(C)c1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 479468381 DJZULNGJKYREMF-UHFFFAOYSA-N 432.889 4.301 5 20 IIBD CCn1c(SCCC(=O)Nc2cc(F)cc(F)c2)nnc1-c1ccc([N+](=O)[O-])cc1 480388177 XTQWUNVWMOKJNV-UHFFFAOYSA-N 433.440 4.272 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 482381378 IMCYKKXANPXEFO-HNNXBMFYSA-N 433.333 4.342 5 20 IIBD Cc1ccc(CNc2ccccc2N2CCN(CCc3ccncc3)CC2)cc1[N+](=O)[O-] 482782689 QSVXWLOROYIFGM-UHFFFAOYSA-N 431.540 4.275 5 20 IIBD CS(=O)(=O)c1ccc(N2CCC[C@H]2c2ccc(Br)c(F)c2)c([N+](=O)[O-])c1 485404139 IVEBLXGDQBQFDO-HNNXBMFYSA-N 443.294 4.241 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)c1cccc(S(C)(=O)=O)c1 485656765 UAPSHBVLZLYFKS-UHFFFAOYSA-N 426.450 4.067 5 20 IIBD CCOC(=O)c1cc(N[C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)ccc1[N+](=O)[O-] 485959332 PYBUHSHCPCJDIU-INIZCTEOSA-N 440.500 4.201 5 20 IIBD O=C(c1ccc(=O)n(Cc2ccccc2Cl)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 486103586 IDTAMWXDBIINEC-UHFFFAOYSA-N 437.883 4.263 5 20 IIBD CN(Cc1cccc2ccccc12)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 486291827 MCOBCIRFWGWBQT-UHFFFAOYSA-N 433.493 4.300 5 20 IIBD CCCOc1ccc(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(OC2CCCC2)c1 487093745 ZEPMVWYSEKPYMN-UHFFFAOYSA-N 442.516 4.379 5 20 IIBD Nc1c(C(=O)Nc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3)cc2)cccc1[N+](=O)[O-] 487243900 IUWIVNQQCMSEGD-HXUWFJFHSA-N 430.464 4.407 5 20 IIBD O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 487728544 USGQHGWLOJAMQO-UHFFFAOYSA-N 440.872 4.129 5 20 IIBD Cc1ccc(-n2cnnc2SCC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1C 488044990 RFSJNSWWLVIUDG-INIZCTEOSA-N 425.514 4.070 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1[N+](=O)[O-] 488067631 KGFQLRYTQAWASB-LLVKDONJSA-N 437.353 4.133 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 488462717 XQVUEVRBTLUDBN-UHFFFAOYSA-N 449.554 4.036 5 20 IIBD CC(C)(C)[C@@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1cccc(F)c1 488847320 YQNNOHJCNDPONB-FQEVSTJZSA-N 429.448 4.326 5 20 IIBD O=C1CN(Cc2ccccc2)[C@H](c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)N1 489108320 VUNBICGCULZDDO-RUZDIDTESA-N 439.475 4.078 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 489149650 UUBZUQZBDOAISZ-UHFFFAOYSA-N 444.557 4.463 5 20 IIBD CCOc1cc2c(cc1OCC)CN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC2 489679789 PRAPJBUKJRSGGU-UHFFFAOYSA-N 427.501 4.088 5 20 IIBD COc1cccc([C@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)N2CCCC2)c1 489841777 QPTZQZSJYHVSHT-QHCPKHFHSA-N 438.528 4.115 5 20 IIBD O=C(CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccc(Br)cc1F 490051457 CQXSDULQBSANPC-UHFFFAOYSA-N 436.281 4.490 5 20 IIBD C[C@H](COc1ccc(F)cc1F)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 494401474 AZDLXWVIWGERDN-SNVBAGLBSA-N 433.333 4.159 5 20 IIBD CCN([C@H](C)Cc1ccsc1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 494568248 XFDWOFUKBYXCMT-LLVKDONJSA-N 433.349 4.061 5 20 IIBD Cc1cc(=O)n(C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 495416981 MAVMBVRIXOGYQB-UHFFFAOYSA-N 426.860 4.120 5 20 IIBD COc1cc(C(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)c([N+](=O)[O-])cc1OC(F)F 497515654 PEBDCLZRGXKHPT-VIFPVBQESA-N 432.326 4.297 5 20 IIBD CC(C)n1ncc(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C1CC1 497768610 QCHBOHJLZWBRMH-UHFFFAOYSA-N 425.411 4.110 5 20 IIBD COc1cccc(CN(C[C@H]2CCCO2)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 498477668 ZTHGMUCVTMKZKY-HXUWFJFHSA-N 447.919 4.190 5 20 IIBD O=C(N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1n[nH]c2ccc([N+](=O)[O-])cc12 500933369 JQFUDQWHWRFVAK-JOCHJYFZSA-N 428.448 4.316 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1cc(-c2nnc3n2CCCCC3)ccc1F 503466049 UJKMDLGSCHSKJG-UHFFFAOYSA-N 438.463 4.083 5 20 IIBD CCOc1ccc([C@@H](C)NCc2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)cc1[N+](=O)[O-] 504906578 ZYBIACKETKDLQR-FGTMMUONSA-N 441.528 4.094 5 20 IIBD Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCCN([C@H](C)c2ccccc2F)C1=O 505403469 PLEKODRXXYWWLR-CXAGYDPISA-N 433.867 4.178 5 20 IIBD O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)c1cc([N+](=O)[O-])ccc1OC(F)F 505973954 QEHUXWAQTBEZIV-UHFFFAOYSA-N 431.317 4.326 5 20 IIBD COc1ccc(CNc2nnc(Sc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)s2)cc1 506813997 IBNYNFZDJAVLAV-UHFFFAOYSA-N 443.510 4.103 5 20 IIBD COc1cc(CCNC(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)c([N+](=O)[O-])cc1OC 507058389 MLKCZLGDVQLBFE-WOJBJXKFSA-N 437.496 4.184 5 20 IIBD COc1ccc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c(I)c1 507765697 FZHRDFMARRHHQA-UHFFFAOYSA-N 440.237 4.124 5 20 IIBD CCNC(=O)c1ccc(C)c(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 508877273 FLHLUQYYDWJQOL-INIZCTEOSA-N 447.495 4.473 5 20 IIBD O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 509347707 CLRJMUZJJNQXCL-QQNRWZHASA-N 445.317 4.116 5 20 IIBD COc1cccc([C@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)N2CCCC2)c1 509399540 NBHXPFXOAUFILL-QHCPKHFHSA-N 440.544 4.361 5 20 IIBD CC1(c2nc3ccccc3s2)CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 511095540 WDQVOQLJPJWDDU-UHFFFAOYSA-N 436.537 4.147 5 20 IIBD O=C(Nc1ccc(Oc2ccc(Cl)cc2)nc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 512170979 VBDUNCLBXCFYRS-UHFFFAOYSA-N 427.800 4.459 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H](C[C@H]1CCOC1)c1ccccc1 512207794 WAQKYGXASHXXOM-XXBNENTESA-N 426.516 4.439 5 20 IIBD Cn1cc2c(n1)CCC[C@H]2NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 512822053 PEXXMXOSQIZBAY-GOSISDBHSA-N 439.903 4.401 5 20 IIBD Cc1ccc(NC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)cc1[N+](=O)[O-] 513077795 VJKXBELVCFUQAT-AWEZNQCLSA-N 433.306 4.314 5 20 IIBD CC(C)(C)OC(=O)c1cc(C(=O)N2CCCc3c2cccc3[N+](=O)[O-])nn1-c1ccccc1 513840418 BRBWVQYXCJYELK-UHFFFAOYSA-N 448.479 4.329 5 20 IIBD Cc1cc(C(=O)N2CCCc3c2cccc3[N+](=O)[O-])c2cnn(Cc3cccs3)c2n1 513840672 FZQFWLBZWVUAIU-UHFFFAOYSA-N 433.493 4.351 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@H](c2cccs2)N(C)C)cc1 515193975 WGFPCOABKMLWDK-LJQANCHMSA-N 441.509 4.490 5 20 IIBD C[C@@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 515695443 KEAIJSSXTWTUAL-CYBMUJFWSA-N 437.905 4.064 5 20 IIBD O=C(N[C@H](c1ccccc1)C1CCC1)c1ccc([N+](=O)[O-])cc1I 521496664 SCMSRMPTTOJFEA-QGZVFWFLSA-N 436.249 4.471 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(Oc3cccc(C)c3C)nc2)cc1[N+](=O)[O-] 522359261 XAMVUKQFNQTKDV-UHFFFAOYSA-N 429.454 4.208 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2nc(-c3ccccc3)cs2)ccc1[N+](=O)[O-] 522483627 XVJSSOZELDYNBX-LJQANCHMSA-N 436.493 4.270 5 20 IIBD CCCn1ccc2cc(NC(=O)[C@@H](CCSC)NC(=O)c3ccc([N+](=O)[O-])o3)ccc21 522797377 RWRGEJVDTCWSME-MRXNPFEDSA-N 444.513 4.043 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2c2ccc(C)cc2)cc1OC 525541225 IVIZTIJMNYYLRP-IBGZPJMESA-N 428.485 4.304 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCSC[C@H]1c1ccc(Cl)cc1 533439189 HCGFIPRGDFDFMA-SFHVURJKSA-N 433.917 4.336 5 20 IIBD CC[C@@H]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3SCCC(=O)OC)sc2C1 534964019 BYSIQXMENJNPHX-GFCCVEGCSA-N 449.554 4.474 5 20 IIBD COc1ccc([C@@H](C)N(C)C(=O)c2cc(I)cc([N+](=O)[O-])c2)cc1 535023473 CKFVDGHARVCOPX-LLVKDONJSA-N 440.237 4.041 5 20 IIBD COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NCc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 537159240 JXGBHFQNYHXXNS-HSZRJFAPSA-N 433.508 4.393 5 20 IIBD COc1cc(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])ccc1OCc1ccccc1 537640492 MOIXEWHVJLIDAE-UHFFFAOYSA-N 448.522 4.260 5 20 IIBD CCOC(=O)[C@@H](c1ccc(Cl)cc1)N(CC)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] 537898579 GVMYZDCOKXBXLX-HXUWFJFHSA-N 433.892 4.121 5 20 IIBD CN1CC=C(CNC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)CC1 539447280 YUQNSYBJXKQYHO-UHFFFAOYSA-N 440.550 4.347 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)cc1[N+](=O)[O-] 541072414 AKCAMSYLFNLTIP-LLVKDONJSA-N 448.526 4.191 5 20 IIBD Cc1nc(-c2ccccc2)sc1NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O 541279255 RETRTTLQQFWQFS-UHFFFAOYSA-N 447.476 4.133 5 20 IIBD C[C@@H]1C[C@@H](CCNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CCO1 541345893 KZYQHQGDNWHBSZ-NEPJUHHUSA-N 427.288 4.022 5 20 IIBD NS(=O)(=O)c1cccc(Nc2ccc(Oc3ccnc4ccccc34)cc2)c1[N+](=O)[O-] 541834737 QNWYUCGVTUCYJT-UHFFFAOYSA-N 436.449 4.326 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2O)c(Br)c1 542721464 OEPNZGYEWJUCAY-UHFFFAOYSA-N 442.074 4.171 5 20 IIBD C[C@@H](CNC(=O)CSc1ccccc1[N+](=O)[O-])Oc1ccccc1Br 543121319 LMZXIJSKVYLCPU-LBPRGKRZSA-N 425.304 4.033 5 20 IIBD C[C@H](C(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccc([N+](=O)[O-])cc1F 543470221 ONWZEAMYMAHDSX-LBPRGKRZSA-N 436.365 4.358 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1CN[C@@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 543629060 FHFXTQMLRYDDJJ-KRWDZBQOSA-N 426.517 4.101 5 20 IIBD COc1cc(Cc2noc(-c3nc(C)n(-c4ccccc4C(C)C)n3)n2)ccc1[N+](=O)[O-] 545763993 SRYZQRZSJRHBEC-UHFFFAOYSA-N 434.456 4.257 5 20 IIBD O=[N+]([O-])c1ccccc1Cc1noc(-c2nn(-c3ccc(F)cc3)cc2Br)n1 546242747 KLWWUVIPWYIUBA-UHFFFAOYSA-N 444.220 4.323 5 20 IIBD O=c1oc2cc([N+](=O)[O-])ccc2n1CCCc1nc(Cc2cccc3ccccc23)no1 547020455 DMJYMRPECRZKRD-UHFFFAOYSA-N 430.420 4.263 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(-c4ncn(C)n4)cc3)cc2[N+](=O)[O-])C1 547259401 HVGLGTNUPYLYCT-IYBDPMFKSA-N 434.500 4.125 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)NC2(c3ccc(Br)cc3)CCOCC2)c1 554873792 KPBVBLHRJRLIAY-UHFFFAOYSA-N 449.301 4.192 5 20 IIBD CN1CCC(Nc2ccccc2NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 563832663 BMKFASKXIAGVBV-UHFFFAOYSA-N 434.949 4.485 5 20 IIBD COc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)N2CCCC2)cc1 576005480 UPQBOOICAZJMBT-LJQANCHMSA-N 437.418 4.189 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 584236936 DCVYOMPSEZLKPZ-LJQANCHMSA-N 441.381 4.212 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCCc3ccc4c[nH]nc4c3)cc2[N+](=O)[O-])n1 586831365 AUSVBFINBVFWAL-UHFFFAOYSA-N 439.522 4.360 5 20 IIBD COc1cc(C(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)c([N+](=O)[O-])cc1OC 603774392 VIHOATZFUXVVMR-UHFFFAOYSA-N 435.436 4.425 5 20 IIBD O=C(c1cc(NCc2ccnc(OCc3ccccc3)c2)ccc1[N+](=O)[O-])N1CCCC1 603943962 SEVPZJUCZLSCAU-UHFFFAOYSA-N 432.480 4.417 5 20 IIBD CN(Cc1ccc(Br)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl 608830770 ZXEZDQBQPKLJDN-UHFFFAOYSA-N 449.692 4.193 5 20 IIBD COc1cc(C(=O)N2c3ccccc3CC[C@H]2C(=O)Nc2ccccc2)ccc1[N+](=O)[O-] 608872271 MAEVIOZOCFRBBH-NRFANRHFSA-N 431.448 4.204 5 20 IIBD COc1ccc(CC(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)cc1[N+](=O)[O-] 609011433 YJOPCTAUURQGQK-UHFFFAOYSA-N 429.448 4.443 5 20 IIBD CCOCCOc1ccc(Cl)cc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 609103491 FRLAMCUZOBKPIS-UHFFFAOYSA-N 430.848 4.102 5 20 IIBD CC[C@@H](C)[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 609447957 GNZMQXZYGAQNOL-QVKFZJNVSA-N 442.491 4.117 5 20 IIBD O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N(Cc1cc(F)ccc1F)c1ccccc1 609726252 BXQKVCDJUSEDCO-UHFFFAOYSA-N 435.390 4.301 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 609730515 PZEDLOZPCRPZGY-MUUNZHRXSA-N 440.518 4.116 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCOc2ccccc2C1 609874013 HUEFPDSBYOKHOK-UHFFFAOYSA-N 433.251 4.122 5 20 IIBD CCc1cc(N2CCC(NCCOc3ccccc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 610116290 QJTQDGCXSCULOU-UHFFFAOYSA-N 447.539 4.252 5 20 IIBD CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611205992 CYOSSDFSNJVOCU-UHFFFAOYSA-N 448.566 4.305 5 20 IIBD O=[N+]([O-])c1ccc2ncnc(Nc3cccc(CS(=O)(=O)Cc4ccccc4)c3)c2c1 611706901 MNEVEYCZKHENGY-UHFFFAOYSA-N 434.477 4.397 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)c1ccccc1OCc1ccccc1 619478146 JXEXCGJQYJUNJE-MRXNPFEDSA-N 442.493 4.222 5 20 IIBD O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCO[C@H](c2ccccc2Br)C1 725729540 WRJZHBZOXKBLHN-IBGZPJMESA-N 446.301 4.145 5 20 IIBD COc1ccc(C2(C(=O)OCc3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])CCC2)cc1 725979814 ORDPTZBOVTXPAT-UHFFFAOYSA-N 437.395 4.379 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1 727217389 CKCCSCPPZOKILO-NSHDSACASA-N 427.240 4.159 5 20 IIBD CN(C)c1ccccc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727588035 IFPOVHNWLDDUEK-UHFFFAOYSA-N 437.422 4.034 5 20 IIBD C[C@@H](OC(=O)CCc1cccc(OC2CCCC2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 727889802 IRMBVGWJPQKLFM-MRXNPFEDSA-N 426.469 4.419 5 20 IIBD C[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccc(C(F)(F)F)cc1 728322162 MYBUNOPITMKZSI-YPMHNXCESA-N 440.349 4.410 5 20 IIBD O=C(OCc1coc(-c2ccc(F)c(F)c2)n1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 728615201 BVXOMBHFFYTEIF-UHFFFAOYSA-N 429.379 4.485 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C(=O)N2CCCCC2)c2ccccc2)cc1SC 728650362 FQOGJADYRLOJFZ-HXUWFJFHSA-N 444.509 4.236 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2C[C@H](N(C)C)Cc3ccccc32)cc1[N+](=O)[O-])c1ccccn1 731465666 KSTLHMXZSBPEKB-YLJYHZDGSA-N 445.523 4.296 5 20 IIBD CCCOc1ccc(CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])cc1OC 731966913 NWIGMHKRBKZSLF-UHFFFAOYSA-N 430.429 4.001 5 20 IIBD COc1ccc(COC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] 733530001 GJVVQCDZUIDOOT-FQEVSTJZSA-N 438.402 4.101 5 20 IIBD C[C@@](O)(CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)c1ccc(F)cc1F 734023057 NHVGLYAIPJDEJY-JOCHJYFZSA-N 428.391 4.303 5 20 IIBD CNc1cc(C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc(Cl)n1 735650019 QXJPCRNMSQZDTH-UHFFFAOYSA-N 426.816 4.156 5 20 IIBD O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1ccc([N+](=O)[O-])cc1Br 739549474 AIZDLDYKCDYJEN-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)c1ccc(OC(F)F)cc1 740421174 CTEWRRHDOUEOIW-SECBINFHSA-N 444.184 4.387 5 20 IIBD CN1C(=O)CC[C@H](COC(=O)CCNc2ccccc2[N+](=O)[O-])[C@H]1c1cccc(Cl)c1 740607077 ZWOUFFUPOZGUAY-OPAMFIHVSA-N 445.903 4.203 5 20 IIBD Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)cc2)n1 742200358 YOVHBTOXHOXVIT-GOSISDBHSA-N 433.512 4.489 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@H]1COc1ccc(Cl)cc1 742289302 QJFSTVSZHRKTDR-SFHVURJKSA-N 426.860 4.118 5 20 IIBD C[C@@H](NC(=O)COC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1cccc2ccccc12 744615911 CRRWLJDDPTUZDO-MRXNPFEDSA-N 431.448 4.123 5 20 IIBD COc1ccc(OCCOC(=O)c2csc(-c3c(F)cccc3F)n2)c([N+](=O)[O-])c1 744923529 DULQRQYJYQRHGR-UHFFFAOYSA-N 436.392 4.241 5 20 IIBD Cc1c(Br)cccc1C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 745518740 MLZKHGHNEOVQKH-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD Cc1cc(O)c(C(C)C)cc1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 748128921 GGRMQLYPRNVLBU-UHFFFAOYSA-N 427.486 4.264 5 20 IIBD CCCNC(=O)c1ccc(Cl)cc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 748622329 FKNRHKDNJOBTBP-UHFFFAOYSA-N 434.836 4.165 5 20 IIBD C[C@@H]1Cc2cc(-c3ccc(CNC(=O)COc4ccc(C=O)cc4[N+](=O)[O-])cc3)ccc2O1 757232701 QVZIVMJUSKUSQA-MRXNPFEDSA-N 446.459 4.093 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 758179943 FTRMFAREJUJLLC-GOSISDBHSA-N 449.294 4.402 5 20 IIBD C[C@@H]1CN(c2ccc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)cc2F)C[C@@H](C)O1 758465293 QLOXFBWBSSMBLT-ZIAGYGMSSA-N 426.448 4.010 5 20 IIBD CCc1cccc[n+]1/C(C(=S)NC[C@@H]1CCCCO1)=C(/O)c1ccc(C)c([N+](=O)[O-])c1 759061365 BUUAUVUDAKXAPQ-IBGZPJMESA-O 442.561 4.123 5 20 IIBD O=[N+]([O-])c1ccc(I)c(-c2nc([C@@H]3CCc4ccccc43)no2)c1 762070869 NQYBEHAHOHHDLZ-CYBMUJFWSA-N 433.205 4.328 5 20 IIBD CC(C)(C)Sc1ccc(-c2noc(CN3C(=O)COc4ccc([N+](=O)[O-])cc43)n2)cc1 762347650 OAHUQXAYACMPOT-UHFFFAOYSA-N 440.481 4.461 5 20 IIBD C[C@H](Sc1nc2ccccc2s1)C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 762904792 WDNPUQPLVZYBJM-JTQLQIEISA-N 435.458 4.006 5 20 IIBD O=C(Nc1ccc(-n2nccn2)cc1C(F)(F)F)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 763936463 HVGOPBIFJYWSPY-UHFFFAOYSA-N 446.389 4.391 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 765821279 RKXUJMLJAQTWBH-NRFANRHFSA-N 425.872 4.382 5 20 IIBD CC(C)(C)c1ccc2c(c1)CCCN2C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 766857943 POVHEKNBKHGFOL-UHFFFAOYSA-N 435.480 4.139 5 20 IIBD C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 772308945 DQTGTIVDDKAZBR-DGCLKSJQSA-N 431.411 4.131 5 20 IIBD CC(C)([C@H](OC(=O)C[C@@H]1CSCCS1)c1ccc(Br)cc1)[N+](=O)[O-] 774375823 SZANZYMNYDWQBI-UKRRQHHQSA-N 434.377 4.327 5 20 IIBD CC(C)(C)c1ncc(COC(=O)c2ccc([N+](=O)[O-])cc2I)s1 774542767 PHADOCGDGISBCQ-UHFFFAOYSA-N 446.266 4.310 5 20 IIBD C[C@@H]1C[C@@H](C(=O)O[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)CCO1 776420339 WUGBRFQVXNOWKF-FRIZHTMISA-N 432.860 4.286 5 20 IIBD CN(Cc1cccc(C(F)(F)F)c1)C1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 776592043 XIJMQRYWMAWYFE-NRFANRHFSA-N 437.462 4.243 5 20 IIBD CSc1cccc(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1[N+](=O)[O-] 777077571 VRKWLAFYFYKZNS-VIFPVBQESA-N 439.833 4.062 5 20 IIBD CC1=C(C(=O)Nc2ccccc2C(C)C)[C@H](c2ccc([N+](=O)[O-])cc2F)NC(=S)N1 777943356 GSPXNCBTDAUWEW-IBGZPJMESA-N 428.489 4.289 5 20 IIBD O=C(c1cc([N+](=O)[O-])c2nsnc2c1)N(Cc1ccccc1)C[C@@H](O)c1cccs1 778319394 UFZDRGHQGFXEFV-QGZVFWFLSA-N 440.506 4.037 5 20 IIBD C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1cc([N+](=O)[O-])ccc1I 780280642 YADQEDXZXJBHTB-BDAKNGLRSA-N 442.175 4.002 5 20 IIBD CC(C)CNC(=O)c1cccc(COC(=O)c2cccc([N+](=O)[O-])c2Br)c1 781676644 VFMHSOSWOUCYHV-UHFFFAOYSA-N 435.274 4.100 5 20 IIBD Cc1cccc(CN(Cc2ccco2)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 782425628 MCDWMXDUEGVKNC-UHFFFAOYSA-N 427.844 4.317 5 20 IIBD CCN(Cc1ccccc1)C(=O)[C@H](C)OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 783316081 NEYLUDNLSKQKKO-HNNXBMFYSA-N 439.493 4.312 5 20 IIBD COC[C@@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl 785398079 QCEVFVCLTALCTJ-INIZCTEOSA-N 433.313 4.218 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(NCc2ccc(C)nc2-n2cc(Cl)cn2)cc1Cl 786805656 FIZNGYFREBZENH-UHFFFAOYSA-N 436.255 4.189 5 20 IIBD CCc1nc2ccccc2n1[C@H]1CCCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 787904590 LQFRWSQKBGFYSH-SFHVURJKSA-N 431.496 4.394 5 20 IIBD Cc1cnc(COC(=O)Cn2c(COc3ccccc3)nc3ccccc32)c(C)c1[N+](=O)[O-] 789445893 XPSAGGKIQHKFFG-UHFFFAOYSA-N 446.463 4.279 5 20 IIBD CCn1c(COc2ccc(C)cc2)nnc1SCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 789954031 MTZPRRNGXIUSQT-UHFFFAOYSA-N 429.458 4.294 5 20 IIBD O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cc([N+](=O)[O-])ccc1N1CCOCC1 798135148 ACAOEKBWFXCJGI-UHFFFAOYSA-N 439.468 4.115 5 20 IIBD COc1ccccc1-n1ncc(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1C 798793435 QAUQPHDNRZKITG-CQSZACIVSA-N 449.423 4.066 5 20 IIBD C[C@@H](CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C 799731827 ZKHWVWNMPZYUAA-AWEZNQCLSA-N 431.514 4.389 5 20 IIBD CC[C@H](C)[C@@H](C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccccc1 800734505 QTDKVOSPZRSPFS-OYHNWAKOSA-N 442.468 4.068 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)OCc2nc(-c3ccc(Br)s3)no2)c1F 803462217 NEHSTDIIKAYSAN-UHFFFAOYSA-N 442.222 4.273 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCc2nc(NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)sc2C1 808164519 HKGNIRUYUKGBRT-KGBIHWOQSA-N 444.513 4.085 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Br)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 808914442 JUOZRPVBCSOKGC-LMMKCTJWSA-N 431.286 4.002 5 20 IIBD C[C@@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@@H]1CNC(=O)OC(C)(C)C 809920445 ZNLWCFUXNJLIQN-IUODEOHRSA-N 426.901 4.405 5 20 IIBD CC(C)C[C@H](NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 810344755 FPHIAKQGFMGQPT-INIZCTEOSA-N 434.290 4.199 5 20 IIBD O=C(Nc1ccc(Cc2nnc3n2CCC3)cc1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813219440 GUGOPFBYSQVYJU-UHFFFAOYSA-N 432.267 4.282 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)c1 814428165 JPWCJKVSMKRPML-IAGOWNOFSA-N 447.532 4.103 5 20 IIBD O=C(c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O)N1CCC[C@H](c2ccccc2)C1 817107898 SKSOQIGUSJNJKN-HNNXBMFYSA-N 426.860 4.159 5 20 IIBD CN(C)c1cc(F)c(C(=O)Nc2cccc(S(=O)(=O)C3CCCCC3)c2)cc1[N+](=O)[O-] 817483216 TXHVGQIEAUJPNJ-UHFFFAOYSA-N 449.504 4.159 5 20 IIBD O=C(NC1(Cc2ccc(F)cc2Cl)CCOCC1)c1cc(F)c([N+](=O)[O-])cc1F 818966559 MUWSPCPDOBOFRL-UHFFFAOYSA-N 428.794 4.187 5 20 IIBD CC(=O)N(c1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1)C1CC1 819014543 NKABJEFIOQNUJS-UHFFFAOYSA-N 436.237 4.264 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 915249566 JMPNVBRRDQIGLF-HOTGVXAUSA-N 442.468 4.342 5 20 IIBD Cc1c(NC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cccc1[N+](=O)[O-] 915308507 XYFMYFUOZCJASC-UHFFFAOYSA-N 427.339 4.064 5 20 IIBD O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CCC(C(=O)c2ccc(Cl)cc2)CC1 918734004 DKRLYIVOSYBALP-UHFFFAOYSA-N 427.888 4.240 5 20 IIBD COc1cc(C(=O)O[C@H](C)CCc2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1OC(F)F 920165938 BVVCYGSGSJTRTF-LLVKDONJSA-N 439.367 4.112 5 20 IIBD Cc1ccc(Cn2ncc3c(C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)cc(C)nc32)cc1 1115818511 XPLAPYXHAGYVSV-UHFFFAOYSA-N 444.447 4.044 5 20 IIBD O=C(Nc1cccc(F)c1)C1CCN(Cc2ccc([N+](=O)[O-])cc2Br)CC1 1255184812 SGZNZPVUPCYBMM-UHFFFAOYSA-N 436.281 4.347 5 20 IIBD CC1CCN(c2ccc(-c3nnc(CCCNC(=O)OC(C)(C)C)o3)cc2[N+](=O)[O-])CC1 1329570687 QDTRVXXHPUTKNP-UHFFFAOYSA-N 445.520 4.338 5 20 IIBD COc1cccc([C@@H]2[C@H](c3nc(-c4cc(C)c([N+](=O)[O-])cc4C)no3)CC(=O)N2C2CC2)c1 1339199804 XJNZMXFTHMBJNT-DENIHFKCSA-N 448.479 4.490 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3c[nH]c4ncccc34)CCC2)cc1)c1ccc([N+](=O)[O-])o1 1785748928 NNSBQBGBCFFQCV-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccccc3[N+](=O)[O-])CC2)CCC1 1832899700 DYRCTDZWDDRLKW-RQWLHQTBSA-N 439.556 4.418 5 20 IIBD Cc1cc(C(=O)CCC(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(C)s1 9841941 YMVMZQOSFSGVSG-LLVKDONJSA-N 438.889 4.460 5 20 IIBD CN(C(=O)COC(=O)c1csc(-c2ccc(Cl)cc2)n1)c1ccc([N+](=O)[O-])cc1 11272722 SRPSEIKWZJSYAS-UHFFFAOYSA-N 431.857 4.192 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)ccc1[N+](=O)[O-] 60412098 QZKXNWDFXGWJTE-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD COc1ccc(CN2C(=O)[C@H](c3ccccc3)N(Cc3ccccc3)C2=O)cc1[N+](=O)[O-] 60816164 NDMLYIXKIFBAQK-QFIPXVFZSA-N 431.448 4.309 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N(Cc1cccs1)C[C@H]1CCCO1 104928739 PMZMYMJCOYAPIO-GOSISDBHSA-N 429.542 4.081 5 20 IIBD COc1ccc(CN[C@@H](C)C(=O)N2CCCC[C@@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 237255905 GRQNKWHLOFYVSC-ROUUACIJSA-N 441.528 4.062 5 20 IIBD CCn1c(Sc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])nnc1-c1cccc(Cl)c1 302208073 XRSBYIZDJOGCBY-UHFFFAOYSA-N 444.947 4.143 5 20 IIBD O=C(NCC1CCN(Cc2ccccc2Cl)CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 303249468 AJOWCJZDTVPGFZ-UHFFFAOYSA-N 442.947 4.465 5 20 IIBD C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1cccc(C(F)(F)F)c1 303415894 BFIZELGVCJUBBC-BXUZGUMPSA-N 441.431 4.157 5 20 IIBD COc1cc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OC 409863850 GQFMGLBBEMDCSR-UHFFFAOYSA-N 444.669 4.350 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCS[C@H]2COCC[C@@H]21 427276543 OXDQKPMTSKOHIJ-LPHOPBHVSA-N 434.901 4.387 5 20 IIBD CCN(CC)CCCNC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1Cl 428394114 SIUUBRGVIIONFP-UHFFFAOYSA-N 446.935 4.271 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nnc(SCc3ccccc3)s2)c1C 431323245 LUWUAYCNPPELLR-UHFFFAOYSA-N 436.540 4.156 5 20 IIBD CCN([C@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 431848027 WWXKTUAWFKUXQV-JOCHJYFZSA-N 441.509 4.107 5 20 IIBD O=[N+]([O-])c1ccc2nc(N3CC[C@@H](Cc4ccc(Br)cc4)C3)nc(O)c2c1 432163808 ROMSUTZDFUWHTN-ZDUSSCGKSA-N 429.274 4.075 5 20 IIBD O=c1ccc2cc(S(=O)(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)ccc2[nH]1 432204786 HQSHSDKOVKZSHD-UHFFFAOYSA-N 437.433 4.029 5 20 IIBD CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)c1[N+](=O)[O-] 433760677 UWCVZOSXQUTEIO-OAHLLOKOSA-N 428.880 4.462 5 20 IIBD CCc1nnc(O)c(CNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1CC 434354348 ZTZLLBNPKIODED-UHFFFAOYSA-N 438.509 4.296 5 20 IIBD CC(C)Cn1cc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)cn1 435841230 AKOLGVPUPKTDFT-UHFFFAOYSA-N 445.526 4.237 5 20 IIBD Cc1nc2ccccc2n1CCCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 436115919 RPKDWYKKMKLIEL-UHFFFAOYSA-N 428.467 4.299 5 20 IIBD Cn1ccnc1Sc1ncc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1Cl 437480279 XJZLKLOJMNFASS-UHFFFAOYSA-N 443.916 4.333 5 20 IIBD O=C(N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 438061742 BNWHECDJZCABJH-RZDIXWSQSA-N 431.439 4.372 5 20 IIBD CC(C)c1ccc(C(=O)Nc2ccnn2Cc2cnn(-c3ccccc3)c2)cc1[N+](=O)[O-] 438944128 XMZNQTGXOIEOFO-UHFFFAOYSA-N 430.468 4.401 5 20 IIBD CC(C)N(Cc1ccc(-c2ccc(F)cc2)s1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 439126227 ZTOGTRRIODLTMC-UHFFFAOYSA-N 429.473 4.061 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3ccc(CNC(=O)C4CCCC4)cc3)n2)c1 445569866 ATJUVKXCSGKGSN-UHFFFAOYSA-N 436.468 4.051 5 20 IIBD COc1cc(Cc2noc(-c3cc(F)cc(C(F)(F)F)c3)n2)c([N+](=O)[O-])c(OC)c1 445815220 ICGAATSJUSGIRM-UHFFFAOYSA-N 427.310 4.411 5 20 IIBD COc1ccc(S[C@H](C)c2nc(Cc3cc(OC)cc(OC)c3[N+](=O)[O-])no2)cc1 445823193 BFTDTWLHWNRIDK-GFCCVEGCSA-N 431.470 4.448 5 20 IIBD COc1cc(OCC(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] 448190541 PUSGJRCRDJTTRN-UHFFFAOYSA-N 436.917 4.419 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCc4ccc(O)cc4C3)n2Cc2cccs2)c1 461314826 YDSCLAZIMHWBFI-UHFFFAOYSA-N 433.493 4.231 5 20 IIBD CCOc1ccc(-c2nc(C(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)cs2)cc1 461399890 HNKFRWXLIHGYQI-UHFFFAOYSA-N 425.466 4.152 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)c1nnc(Cc2ccsc2)n1C[C@H]1CCCCO1 461869530 ICCVUITXXYVEOR-HXUWFJFHSA-N 441.557 4.087 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C 462415291 GNIDWDRCAGNTDU-OXJNMPFZSA-N 426.904 4.456 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(c2ccc(OC)cc2)CCOCC1 462498085 CJWZUIOIYUYZBC-IBGZPJMESA-N 426.513 4.037 5 20 IIBD O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 462920024 OWCICYDLWYVWLW-UHFFFAOYSA-N 446.237 4.465 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CN[C@@H]2CCOc3c(F)ccc(F)c32)c1 463032859 JWKIVYYEUGCLPN-CQSZACIVSA-N 446.191 4.091 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1cn2cc(Br)cc(C)c2n1 463980084 XQDFGZQFRZCHQG-UHFFFAOYSA-N 432.278 4.252 5 20 IIBD Nc1c(C(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)cccc1[N+](=O)[O-] 468693057 HSBUFWSDXDGPGD-UHFFFAOYSA-N 427.464 4.019 5 20 IIBD COc1c(C(=O)N2C[C@H](C)C(=O)N(Cc3ccccc3)c3ccccc32)cccc1[N+](=O)[O-] 476266356 YJZFFCPSWIFSCW-KRWDZBQOSA-N 445.475 4.433 5 20 IIBD COc1ccc(CS(=O)(=O)Cc2nc(-c3c(F)cccc3F)cs2)cc1[N+](=O)[O-] 478724147 RHDYRUOOOVLAFQ-UHFFFAOYSA-N 440.449 4.120 5 20 IIBD CC(=O)Nc1sc(NC(=O)CCOc2ccccc2[N+](=O)[O-])nc1-c1ccccc1 479347970 LWLUNSVFCWGBJL-UHFFFAOYSA-N 426.454 4.084 5 20 IIBD Cc1c(CNC(=O)N(C)[C@H](c2ccc(Cl)cc2)c2cnccn2)cccc1[N+](=O)[O-] 480075338 SADFEYZFNGXTDD-HXUWFJFHSA-N 425.876 4.278 5 20 IIBD O=[N+]([O-])c1cc(CNS(=O)(=O)Cc2ccc(Cl)c(F)c2)cc(C(F)(F)F)c1 480360999 WEOYUZJFPUOCJB-UHFFFAOYSA-N 426.775 4.026 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2CCC[C@](C)(OC)CC2)c([N+](=O)[O-])c1 480828953 LWKFRKVLCUGQMN-QHCPKHFHSA-N 426.469 4.008 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] 481024121 NEINBTHJUUVMMP-UHFFFAOYSA-N 436.917 4.149 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2-c2csc(C)n2)cc1OC 484611398 YKQGVOONVAGMQM-UHFFFAOYSA-N 443.481 4.313 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCCN1Cc1ccc(F)cc1 486692935 HMOQVUVAYFPQPO-SFHVURJKSA-N 425.382 4.034 5 20 IIBD C[C@@H](Oc1ccccc1Br)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 486705066 HMOBAFAJKRNQMH-SNVBAGLBSA-N 447.207 4.460 5 20 IIBD Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1ccc([N+](=O)[O-])cc1I 487078589 NCGIWBQXPXTKIW-UHFFFAOYSA-N 448.220 4.150 5 20 IIBD Cc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)nc(C(F)(F)F)n1 487816304 ZXJBIPRYIYIESZ-UHFFFAOYSA-N 430.342 4.195 5 20 IIBD C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1nc(-c2ccncc2)cs1 488248290 IFUKKNHTKHKMGV-JTQLQIEISA-N 433.287 4.367 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3nccs3)c2)cc1OC 489646502 GZMVCGCKWJUSLC-UHFFFAOYSA-N 429.454 4.004 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(-c3ccccc3)cn2)cc1[N+](=O)[O-] 490699083 XDIUGTBRWZOECT-UHFFFAOYSA-N 432.465 4.189 5 20 IIBD CC1CCN(C[C@@H]2CCCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)C2)CC1 491514162 MFCUZFLDFPKERM-HNNXBMFYSA-N 426.464 4.172 5 20 IIBD COC(=O)c1ccc(N2CCCC2)c(NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 493260567 SKYDPDCUJOXGLF-OAHLLOKOSA-N 426.473 4.173 5 20 IIBD Cc1ccc(NC(=O)N2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn34)C2)cc1[N+](=O)[O-] 495118366 BNUGAXBXODFZNY-CYBMUJFWSA-N 448.405 4.376 5 20 IIBD O=C(Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)N[C@H](c1ccccc1)c1ccc(Cl)cc1 497321329 WYJNCVGVAKNNDG-OAQYLSRUSA-N 437.839 4.062 5 20 IIBD CC(C)(C)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)n(-c2ccccn2)n1 498186329 ZXCBKWRQOUDGOV-UHFFFAOYSA-N 431.399 4.327 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1cccc(C(=O)N2CCc3ccccc32)c1 498688124 FNBXUWBONZGWBV-UHFFFAOYSA-N 430.464 4.157 5 20 IIBD O=C1C[C@H](NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c2ccccc21 499055837 MPNFEZCHJVHXIR-KRWDZBQOSA-N 447.413 4.274 5 20 IIBD Cc1cccc(C(=O)NCc2ccc(I)c(Cl)c2)c1[N+](=O)[O-] 501215953 FNJJSLHWCSAYEV-UHFFFAOYSA-N 430.629 4.091 5 20 IIBD CCCn1nccc1C1CCN(Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CC1 502336755 WMMZPQZENTXZRH-UHFFFAOYSA-N 438.475 4.233 5 20 IIBD CCCn1nccc1C1CCN(C(=O)Nc2cc(OCC)c(OCC)cc2[N+](=O)[O-])CC1 503779956 MYTYYTBENKQWCF-UHFFFAOYSA-N 445.520 4.410 5 20 IIBD Cc1ccc(-n2nc(C(C)C)cc2NC(=O)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 504107693 CGBYFWGWRHEDKK-MRXNPFEDSA-N 435.484 4.028 5 20 IIBD C[C@@H](c1ccccc1F)N1CCC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1=O 505422778 QYXQAXSBXMJQDW-SCLBCKFNSA-N 441.484 4.431 5 20 IIBD CC(=O)Nc1ccc(Br)cc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 506157207 FXVZFMLQUGFSIP-JTQLQIEISA-N 438.303 4.435 5 20 IIBD O=[N+]([O-])c1cc(CN2CCC(CN3CCOCC3)CC2)ccc1Oc1ccc(F)cc1 506879995 FVTZUJDNHRIOHA-UHFFFAOYSA-N 429.492 4.070 5 20 IIBD O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1I 508770801 QHPRTRJUSLOCFI-JHJVBQTASA-N 428.270 4.288 5 20 IIBD CC[C@H](C(=O)OC)N(C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)c1ccccc1 509981102 FNSHRNPZIDBBSJ-HXUWFJFHSA-N 439.512 4.430 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCc2c(ncn2-c2ccc(F)cc2)C1 510737518 YCINWZLFXQMBQZ-UHFFFAOYSA-N 449.467 4.242 5 20 IIBD CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 511859789 MYJLXZZPGCHPTE-FQEVSTJZSA-N 436.493 4.193 5 20 IIBD CN(Cc1csc(Br)c1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 512231620 ZZQDBBXDLHWUIA-UHFFFAOYSA-N 435.303 4.092 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 512721948 YSBFMVNCABBFAW-HNNXBMFYSA-N 438.406 4.018 5 20 IIBD CN(C)S(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)nc2c1 513857729 PJPYUUCTVORPQG-UHFFFAOYSA-N 428.495 4.117 5 20 IIBD CCOc1cc(CN[C@@H]2CCC[C@@H](C)[C@@H]2C)ccc1OCCn1c([N+](=O)[O-])cnc1C 521805085 SWGKGYBSFBNYLE-FUHIMQAGSA-N 430.549 4.492 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@H](c3ccccc3)[C@@H]3CCCO3)cc2)c(C)c1[N+](=O)[O-] 522570548 XJXNHGNALMNYDE-FCHUYYIVSA-N 434.496 4.107 5 20 IIBD CN(C)C(=O)c1cccc(CNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1 522709719 VMFBGCHODQIRQU-UHFFFAOYSA-N 434.452 4.411 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(Oc3ccncc3)c(Cl)c2)cc([N+](=O)[O-])c1 522918626 ODKRKZGSMISLEP-UHFFFAOYSA-N 427.800 4.474 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 523540092 CPKLAMGGUBMDHH-ZDUSSCGKSA-N 449.305 4.055 5 20 IIBD COCCN([C@@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 523759162 GFJDQXCZEMGUDL-AWEZNQCLSA-N 446.447 4.320 5 20 IIBD C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)S1 525204825 OUFSLOIGGHHINV-STQMWFEESA-N 433.917 4.467 5 20 IIBD CC(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)c1 525533330 ZCNGWWZOKJTWMC-UHFFFAOYSA-N 433.848 4.256 5 20 IIBD COc1ccc([C@H](NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c2ccc(F)cc2)cc1 531148653 ARXFGKIMMQGCGU-XMMPIXPASA-N 435.455 4.011 5 20 IIBD O=C(CN1CCC(Oc2ccc(F)cc2F)CC1)Nc1ccc([N+](=O)[O-])cc1Cl 532473693 KMHDVJKJPVJZKK-UHFFFAOYSA-N 425.819 4.008 5 20 IIBD COC(=O)CCSc1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 533737584 UOWZXYAYYGBYRH-LBPRGKRZSA-N 438.889 4.309 5 20 IIBD O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)c1n[nH]c2ccc([N+](=O)[O-])cc12 533994812 KVUARRGYZRHJSW-UHFFFAOYSA-N 427.873 4.221 5 20 IIBD O=C(CC1CCCCC1)NC1CCC(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)CC1 534009639 IFCWIOAONALJTO-UHFFFAOYSA-N 427.505 4.055 5 20 IIBD CCOc1c(OC)cc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cc1OC 537089976 FFLCJHHCTCWVFG-UHFFFAOYSA-N 434.514 4.441 5 20 IIBD Cc1cc(NC(=O)Cc2cccc(OCc3cccnc3)c2)n(-c2ccc([N+](=O)[O-])cc2)n1 538847048 PSPRSBBULINQEG-UHFFFAOYSA-N 443.463 4.244 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(OCC3CC3)c(F)c2)c([N+](=O)[O-])c1 540425446 ZVXZMNIMGDVSKN-UONOGXRCSA-N 431.464 4.209 5 20 IIBD Cc1ccc([C@@H](NCCOc2ccc([N+](=O)[O-])cc2)c2cccc(S(C)(=O)=O)c2)cc1 540912313 ZSZNNBJFCHZEGC-HSZRJFAPSA-N 440.521 4.065 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccnn1Cc1cccc(Br)c1 541293655 SVCWGKUYIJNPDL-UHFFFAOYSA-N 447.314 4.333 5 20 IIBD C[C@@]1(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCO[C@@H]1C1CC1 541406039 LUPZKZNMHCAYKT-JWQCQUIFSA-N 446.507 4.064 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 542584873 NNDCIEPUYPHXJJ-ZDUSSCGKSA-N 449.529 4.290 5 20 IIBD CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 544490463 KZYMSRKWOLBBDK-CRAIPNDOSA-N 437.265 4.489 5 20 IIBD CCOc1c(Cl)cc(-c2noc(-c3cc(OC)c(OC)c([N+](=O)[O-])c3)n2)cc1OC 546944948 TXJBDGWELBUORJ-UHFFFAOYSA-N 435.820 4.390 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3cnc4ccccc4c3)no2)c(I)c1 547117786 BBAFWIOQKGZCFG-UHFFFAOYSA-N 444.188 4.465 5 20 IIBD COc1ccc(CC(=O)N2CCSC[C@H]2c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 547435327 HEWQWJQLJCSFHF-KRWDZBQOSA-N 440.443 4.481 5 20 IIBD O=c1c2cc(Br)ccc2ncn1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F 549011778 DNBXOUXBHCXUMG-UHFFFAOYSA-N 428.164 4.134 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@@H](Cc4ccccc4)C3)n2C[C@H]2CCOC2)c1 549708243 PCHKBCVOFINSBK-LEWJYISDSA-N 447.539 4.349 5 20 IIBD CN(C[C@H](O)C(F)(F)F)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 554940505 IIWGKKVTLXVGFQ-HNNXBMFYSA-N 434.823 4.395 5 20 IIBD CC[C@@]1(CNC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)OCCc2ccccc21 558552291 FPMCAYFIHQPLJP-VWLOTQADSA-N 448.523 4.064 5 20 IIBD CN(C)c1noc([C@H]2CCCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2)n1 559959132 MGMFQCBZRVAHGF-ZDUSSCGKSA-N 431.880 4.337 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCN(C(=O)c2ccc(Cl)cc2)CC1 560681680 ANZZHIFHRGLUSJ-UHFFFAOYSA-N 431.920 4.384 5 20 IIBD CCN(C(=O)c1cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)ccc1Cl)C(C)C 567101083 UQZBIWFHCKCQPN-UHFFFAOYSA-N 433.848 4.100 5 20 IIBD COc1cc(Cc2noc(-c3cccc(C(=O)Nc4ccccc4)c3)n2)ccc1[N+](=O)[O-] 574604208 ISDKTRSKNFITNL-UHFFFAOYSA-N 430.420 4.497 5 20 IIBD CO[C@@H](C)CCNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 577915501 DEEXGNOCRNDNFY-LBPRGKRZSA-N 425.844 4.404 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(Cc3csc4ccc(Br)cc34)n2)n1C 581157235 DSQDEKAUMOCIPK-UHFFFAOYSA-N 434.275 4.255 5 20 IIBD Cn1ccnc1[C@@H](N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1cccc([N+](=O)[O-])c1 581206687 AVDBAAIZDNDVLC-YWZLYKJASA-N 429.883 4.079 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1cccs1 591750340 NGIJKJHGQHVWRV-GOSISDBHSA-N 439.493 4.303 5 20 IIBD CCCN(CCC)C(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 603981007 IPOLTNALRMYOKT-UHFFFAOYSA-N 439.921 4.311 5 20 IIBD O=C(N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)c1ccc([N+](=O)[O-])[nH]1 604078560 NZLFRMQISKBOEA-KRWDZBQOSA-N 429.358 4.337 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 604472345 RNTSJEFPWGSHAJ-FUHWJXTLSA-N 431.920 4.044 5 20 IIBD COc1ccc(CSCC(=O)N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)cc1[N+](=O)[O-] 604519673 NVQHCCPFNDZNGB-AUSIDOKSSA-N 444.553 4.463 5 20 IIBD Cc1cc(NC(=O)c2ccc(OCc3ccccc3)nc2)n(-c2ccc([N+](=O)[O-])cc2)n1 608962456 MCZIVKWYBILFCM-UHFFFAOYSA-N 429.436 4.315 5 20 IIBD COc1ccc(NC(=O)C[C@H](NC(=O)c2ccc(C)cc2)c2ccccc2)c([N+](=O)[O-])c1 609227673 HHHYDPWLVWTLMK-NRFANRHFSA-N 433.464 4.412 5 20 IIBD C[C@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 609420366 CEBKNRVSIRZWRG-CYBMUJFWSA-N 439.331 4.347 5 20 IIBD CSc1ccc(Cl)cc1NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 609502026 OOSZXDTUZZONCP-GFCCVEGCSA-N 425.919 4.275 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]1c1ccc2c(c1)OCCO2 609729824 UZRRRJVDERNQPS-INIZCTEOSA-N 432.860 4.152 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(O[C@H]4CCOC4)cc3)cc2[N+](=O)[O-])C1 610051823 NSCIKBJNVQKQHT-FVJLSDCUSA-N 439.512 4.497 5 20 IIBD Cc1ccc(NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1OCCC(C)C 610070420 IZNWVPJIZBGJCZ-UHFFFAOYSA-N 433.892 4.350 5 20 IIBD CCOC(=O)c1csc(N(C(=O)c2csc([N+](=O)[O-])c2)c2ccc(OC)cc2)n1 610109692 BHMQBCYSAXGUAC-UHFFFAOYSA-N 433.467 4.277 5 20 IIBD CCOc1ccc(C(=O)N[C@H](C(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)C(C)C)cc1 610555998 HIWRODMVCSNYMS-SFTDATJTSA-N 427.501 4.015 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CC[C@@H](OCc2ccncc2)C1 611206366 FGDAJGZXPLHITH-GOSISDBHSA-N 427.526 4.456 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc(C)s3)cs2)cc1OC 619564805 MHQPNMHTNXOHNB-UHFFFAOYSA-N 449.510 4.374 5 20 IIBD C[C@H](OC(=O)CC[C@@H](O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 726872880 JYBBYVIRHZOVLY-VBKZILBWSA-N 446.475 4.415 5 20 IIBD CC(C)(C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1cccc(C(F)(F)F)c1 727220330 SIICDHNSEINYSP-UHFFFAOYSA-N 428.338 4.212 5 20 IIBD Cc1nc(CC(C)C)sc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 727915522 TXVYLHBYOYFYDL-UHFFFAOYSA-N 445.419 4.373 5 20 IIBD C[C@@H](OC(=O)c1cc(N)ccc1Cl)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 728334765 DOSFGAIXEQNUPS-SNVBAGLBSA-N 446.872 4.138 5 20 IIBD CNC(=O)c1ccc(Nc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)c([N+](=O)[O-])c1 729182781 BUSHJXCYDXAQSJ-UHFFFAOYSA-N 426.473 4.386 5 20 IIBD CC(C)(C)[C@@H]1CCCN1C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 729402636 SVTBGFLLAQGIIE-IBGZPJMESA-N 432.498 4.013 5 20 IIBD COc1ccc(-c2ccc(C(=O)OCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c(F)c2)cc1 730351821 VSBISEDZXRRNOP-UHFFFAOYSA-N 442.374 4.344 5 20 IIBD C[C@@H](OC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 730376700 LDGYCJLKWYYRID-LLVKDONJSA-N 449.250 4.271 5 20 IIBD CCN(C(=O)[C@H](C)OC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)c1cccc2ccccc12 731725551 KDRYFBMTJIJNEU-INIZCTEOSA-N 436.464 4.284 5 20 IIBD Cc1cc(C(=O)COC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c(C)[nH]1 736864390 SILPLEDQQGAOIL-UHFFFAOYSA-N 437.239 4.072 5 20 IIBD CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 740868809 QCZXUAYRDDWNJK-CYBMUJFWSA-N 439.484 4.040 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)C2(c3cccc(C)c3)CCCC2)c([N+](=O)[O-])c1 744927573 BDFXBQZCFFLPRC-MRXNPFEDSA-N 426.469 4.294 5 20 IIBD C[C@@H](OC(=O)C1CC(OCc2ccccc2)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 747054905 WTMSLFSNDQQDSI-BZOOQXSSSA-N 432.860 4.114 5 20 IIBD COCc1cc([N+](=O)[O-])ccc1N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 747215969 WJLJKZHWYDMARK-UHFFFAOYSA-N 442.516 4.326 5 20 IIBD C[C@H](OC(=O)c1csc(C2CC2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 747505450 ODHHKQTUAPAONI-QMMMGPOBSA-N 429.376 4.132 5 20 IIBD CCOC(=O)C1=C(C)N(Cc2cccs2)C(=O)N[C@H]1c1cc([N+](=O)[O-])ccc1OCC 748688712 AZQZEVUXZUJKAR-IBGZPJMESA-N 445.497 4.159 5 20 IIBD O=C(Cc1csc(-c2ccccc2)n1)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 749357255 FQTMBHVWUCOKQK-UHFFFAOYSA-N 438.509 4.116 5 20 IIBD CC(=O)Nc1cc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)ccc1F 749409772 HQEIBVRPHIZEDF-UHFFFAOYSA-N 430.617 4.361 5 20 IIBD CSc1ccc(C(=O)N(C2CC2)C2CCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] 751105320 HVAFSJLTULXACJ-UHFFFAOYSA-N 435.546 4.321 5 20 IIBD NC(=O)c1ccc(COC(=O)/C=C\c2cc(C(F)(F)F)ccc2Cl)c([N+](=O)[O-])c1 753414996 MIFWKVGCQQMWKF-UTCJRWHESA-N 428.750 4.123 5 20 IIBD COc1ccccc1C[C@@H](C)N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br 755011803 LAABHBXDCRAZMC-LLVKDONJSA-N 425.254 4.208 5 20 IIBD CCOc1cc(COC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)ccc1[N+](=O)[O-] 755531149 PMIBNMYUFXJHKM-QGZVFWFLSA-N 436.873 4.193 5 20 IIBD O=[N+]([O-])c1cn(CN2CCC[C@H]2c2ccccc2Br)nc1-c1ccncc1 755924661 OCIPIMXOGWKVIS-KRWDZBQOSA-N 428.290 4.410 5 20 IIBD CN(Cc1ccc(Br)c(F)c1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 757643961 JISVURXCYXEIQJ-UHFFFAOYSA-N 436.281 4.369 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(NC(=O)c2ccoc2)c1 761893083 BIEFOAKQXBQXQL-UHFFFAOYSA-N 435.845 4.203 5 20 IIBD CSc1ccc(-c2nc(C[C@](O)(c3ccc(C)o3)C(F)(F)F)no2)cc1[N+](=O)[O-] 763310572 XOKGTGFMILCUNH-INIZCTEOSA-N 429.376 4.261 5 20 IIBD Cc1ccc([C@@H](C)[C@H](O)C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 764640917 NGAYFJRTKQDFKM-ZHRRBRCNSA-N 434.448 4.226 5 20 IIBD CC(C)(C(=O)N1CCC(O)(c2ccccc2C(F)(F)F)CC1)c1ccc([N+](=O)[O-])cc1 765093411 NDCFOYSVTAPUOH-UHFFFAOYSA-N 436.430 4.401 5 20 IIBD CN(C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1nc2ccc(Cl)cc2s1 767379833 LLTKKPGBMMQQRG-JTQLQIEISA-N 448.863 4.013 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)cs1 768806534 AYVJYACHPYVIHD-UHFFFAOYSA-N 427.891 4.019 5 20 IIBD O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1sc(Br)cc1[N+](=O)[O-] 770145625 LTFAJYANNQVKSE-UHFFFAOYSA-N 444.694 4.451 5 20 IIBD C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 772317850 GLJINBHFIDUVRP-ZWKOTPCHSA-N 449.551 4.059 5 20 IIBD CC(C)c1ccc(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cn1 772438071 XZYHCHNFQVLZCU-LJQANCHMSA-N 425.485 4.355 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 773259701 BJAAXTHHLLIESZ-YOEHRIQHSA-N 439.390 4.455 5 20 IIBD C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CCN1C(=O)OC(C)(C)C 773771988 HVHPZFAABXFTTA-DLBZAZTESA-N 446.548 4.103 5 20 IIBD C[C@@H](N[C@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 775100294 CKJKPNGCDXZZBC-CHWSQXEVSA-N 430.892 4.275 5 20 IIBD O=C(COc1cccc(Br)c1)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776139218 OMEGBLRKUKZZQT-HXUWFJFHSA-N 443.253 4.464 5 20 IIBD CSc1cccc(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1[N+](=O)[O-] 777074335 WNWPVDIZRMFFPF-SNVBAGLBSA-N 430.398 4.193 5 20 IIBD O=C(Nc1ccccc1CS(=O)(=O)c1ccccc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 777990373 JIBPFZQWXYFORI-UHFFFAOYSA-N 446.431 4.299 5 20 IIBD CCN([C@H](C)Cc1ccsc1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 778137847 LTAYABOBNHYDQP-LLVKDONJSA-N 433.349 4.061 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O 778781151 WMNXINHBRJDRAN-DZGCQCFKSA-N 447.285 4.323 5 20 IIBD CC(C)(C)n1ncc(C(=O)O[C@H]2CCN(c3ccc([N+](=O)[O-])cc3F)C2)c1C(F)(F)F 778801885 SGOGYBLLQKDOTD-LBPRGKRZSA-N 444.385 4.140 5 20 IIBD CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 778893779 XODANHLCYUTAGA-UHFFFAOYSA-N 436.411 4.180 5 20 IIBD CSc1ccc(-c2nsc(NC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)cc1 781687512 SBEYVGSZUFCEMR-UHFFFAOYSA-N 445.482 4.315 5 20 IIBD C[C@@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1noc(-c2ccc(Cl)cc2)n1 781719978 WNCROXJFECNTDZ-LLVKDONJSA-N 445.819 4.016 5 20 IIBD CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc([N+](=O)[O-])s2)NC(=O)N1CC1CC1 782248223 OISKGCZRKKQIJU-GOSISDBHSA-N 430.461 4.184 5 20 IIBD O=C(Nc1cccc(CN2CCOC2=O)c1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 782611208 MMUDQJJENCLYIK-UHFFFAOYSA-N 447.447 4.378 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@H]1C[C@H](O)c1ccco1 787338172 CGMLKLRCGDMWJG-HOCLYGCPSA-N 427.379 4.004 5 20 IIBD Cc1cnc(COC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)c1[N+](=O)[O-] 789437095 GKLWXJXBBDWPEN-UHFFFAOYSA-N 442.350 4.079 5 20 IIBD O=[N+]([O-])c1cc(Br)c(F)cc1OC[C@@H](O)COCc1ccccc1Cl 790139651 NLPPGZBSSOEAAP-NSHDSACASA-N 434.645 4.106 5 20 IIBD Cc1c(CNC(=O)Nc2cnc(Br)c(Br)c2)cccc1[N+](=O)[O-] 792329407 BGSSIGBDNUNKEB-UHFFFAOYSA-N 444.083 4.145 5 20 IIBD COc1ccc([C@@H](O)C2CCN(C(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])CC2)cc1 794461965 NYGNEUOTJYXALM-XMMPIXPASA-N 447.491 4.251 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2cc(-c3ccc(Cl)cc3)ncn2)cc1[N+](=O)[O-] 795571090 IROSKNDPTMAXEA-UHFFFAOYSA-N 439.280 4.468 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3c(Cl)cccc3n2)c(C)c1[N+](=O)[O-] 795603576 KEWMGQNCQGWDIA-UHFFFAOYSA-N 436.833 4.122 5 20 IIBD CC(C)N(C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccc(CC(=O)N(C)C)cc1 799446972 ILAAHOHEJVOIGH-INIZCTEOSA-N 429.542 4.148 5 20 IIBD COc1ccc(CN(CC2CC2)C(=O)c2ccc(Br)c([N+](=O)[O-])c2)c(OC)c1 800369722 VKEXWAUDNAWSMZ-UHFFFAOYSA-N 449.301 4.427 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 801880059 SNJBLFVLEWIRGE-OAHLLOKOSA-N 430.436 4.386 5 20 IIBD C[C@H]1Oc2ccc(C(=O)C3CCN(c4cc(Cl)ccc4[N+](=O)[O-])CC3)cc2NC1=O 804425634 SSOKDHOQPYDUJH-GFCCVEGCSA-N 429.860 4.067 5 20 IIBD Cc1nc(Cl)c(Cl)cc1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 805719049 BDBXZJVGAJFXHF-QMMMGPOBSA-N 432.647 4.442 5 20 IIBD O=C(Nc1cncc(Cl)c1Br)c1cccc([N+](=O)[O-])c1Br 808872211 JZPDTWSUDXGQOY-UHFFFAOYSA-N 435.459 4.421 5 20 IIBD CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F 809812917 LYKADCDNXLKZRN-IFXJQAMLSA-N 442.896 4.176 5 20 IIBD Cc1cccc([C@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c2ccccn2)c1 809829665 FYCAZRJGNOJRNQ-IBGZPJMESA-N 435.864 4.159 5 20 IIBD O=C(NCc1cc(Br)c2c(c1)OCO2)Nc1cccc([N+](=O)[O-])c1Cl 809918925 AWKIIMUFBTVTMG-UHFFFAOYSA-N 428.626 4.061 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 809919728 DQUJVZPDOZHBCV-OLZOCXBDSA-N 426.901 4.405 5 20 IIBD COc1ccc(Cl)cc1CNC(=O)COC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811373634 ZSTQOPQVGRZZLJ-UHFFFAOYSA-N 447.658 4.037 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCCN3c4ccccc4C[C@@H]3C2)CC1 811614539 KYZDPTXBKNALCS-OAQYLSRUSA-N 434.540 4.108 5 20 IIBD O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCOc2ncc(Br)cc21 813168670 XJOLTYRYZIASEV-UHFFFAOYSA-N 433.045 4.098 5 20 IIBD O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 814246459 NRAMCFTUOVSUCE-UHFFFAOYSA-N 432.476 4.089 5 20 IIBD C[C@](O)(C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc(Cl)cc1 814815469 YWRUKIKNCONMSL-JOCHJYFZSA-N 440.839 4.314 5 20 IIBD C[C@H](N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(Br)cc1OCCCO 815627491 BYWVBMNCYCYWIT-OLZOCXBDSA-N 438.322 4.113 5 20 IIBD C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1cc(F)c([N+](=O)[O-])cc1F 816819458 FJSIVFHZJDPCFW-QGHHPUGFSA-N 430.329 4.494 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 817655694 DXOAWFORWBBMQB-QZTJIDSGSA-N 431.533 4.403 5 20 IIBD CC1(C)C[C@@](C)(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C(=O)O1 820575667 KZDDTTNELRUXAG-OAQYLSRUSA-N 431.876 4.074 5 20 IIBD O=[N+]([O-])c1cc(Br)cnc1NCc1cccnc1-n1cnc2ccccc21 820585735 BMOWAKGFPXMMJD-UHFFFAOYSA-N 425.246 4.098 5 20 IIBD O=C1/C(=C/Nc2nc3ccc([N+](=O)[O-])cc3s2)c2ccccc2C(=O)N1c1ccccn1 912744814 JZNGAYZBXIVWPU-FOWTUZBSSA-N 443.444 4.240 5 20 IIBD CCCn1c2ccccc2c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3F)nc21 913235313 VGZYIALPRZASEY-UHFFFAOYSA-N 440.460 4.168 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 914163871 DIILLKFSGJDHDP-MRXNPFEDSA-N 440.477 4.162 5 20 IIBD O=C(OCc1nc(O)c2ccc(C(F)(F)F)cc2n1)c1cc([N+](=O)[O-])ccc1Cl 916597274 REZPXLJVIYHJDX-UHFFFAOYSA-N 427.722 4.273 5 20 IIBD CC(C)c1ccc(OC2CCN(c3ccc(S(=O)(=O)N(C)C)cc3[N+](=O)[O-])CC2)cc1 917083638 YNGGJJYLPPMEEN-UHFFFAOYSA-N 447.557 4.016 5 20 IIBD C[C@@H](OC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C(=O)Nc1ccc(N2CCCCC2)cc1 917330654 DLVDREWGJHZFOF-OAHLLOKOSA-N 436.468 4.250 5 20 IIBD C[C@H]1CCc2c(sc3nc(CCC(=O)OCCc4ccc([N+](=O)[O-])cc4)nc(O)c23)C1 918994368 CLOQWWXUDYBOSQ-ZDUSSCGKSA-N 441.509 4.148 5 20 IIBD Cc1ccc(N(Cc2ccco2)C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)cc1C 920279773 JHLNQHUXKOKIPJ-UHFFFAOYSA-N 428.466 4.055 5 20 IIBD CSCC[C@@H](NC(=O)c1ccco1)C(=O)Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-] 920330391 BQCZAJMCDGKMRR-QGZVFWFLSA-N 440.477 4.312 5 20 IIBD O=C(NCC(F)(F)F)c1ccccc1NCc1ccc([N+](=O)[O-])cc1Br 1116647011 VFMWJSGBHLJCGA-UHFFFAOYSA-N 432.196 4.262 5 20 IIBD O=C(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@]1(Cc2ccc(Cl)cc2)C[C@H]2CC[C@H]1C2 1318600918 ZDZDFGSKWWQHFC-CKJXQJPGSA-N 448.928 4.102 5 20 IIBD Cc1cccc(N2N=C(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)c(C)s3)CCC2=O)c1 1319188612 XPNOMRWMJJTKKC-UHFFFAOYSA-N 449.492 4.457 5 20 IIBD CC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2(c4cccc([N+](=O)[O-])c4)CCC2)C3)CCCC1 1792668967 MZQPDCXBFJCWPY-ACDBMABISA-N 439.556 4.235 5 20 IIBD CC(C)=CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(Cl)cc1[N+](=O)[O-] 1793079845 JKSOTMKKAAPMDP-REPLKXPHSA-N 433.936 4.175 5 20 IIBD CC(C)(C)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cc(F)ccc2[N+](=O)[O-])CC1 1826337420 IHLGARTVXXNZBF-HXUWFJFHSA-N 447.551 4.332 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2)CC1 1829876457 YDCWDOKEOKJQRR-JOCHJYFZSA-N 439.487 4.281 5 20 IIBD Cc1cc(CCCC(=O)N2CC3(CCCN3C(=O)[C@@H]3CCC[C@H]3C)C2)c([N+](=O)[O-])cc1F 1843961457 FYCZXEPHOYYQIX-VQIMIIECSA-N 445.535 4.005 5 20 IIBD COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 15950309 OETXKNLVXFXDMW-UHFFFAOYSA-N 435.436 4.046 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F 18017777 GEDCDNMGTIEYDI-UHFFFAOYSA-N 433.392 4.100 5 20 IIBD COC(=O)c1sc2[nH]c(/C(Cl)=C/c3ccc(Cl)c([N+](=O)[O-])c3)nc(=O)c2c1C 21190705 XJXIWGHTDWGIID-YHYXMXQVSA-N 440.264 4.378 5 20 IIBD C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(NC(=O)C2CC2)cc1 27294889 WHKMERNUCJZHRV-MRXNPFEDSA-N 436.512 4.037 5 20 IIBD Cc1cc(NC(=O)C2CCN(C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)CC2)no1 105588403 HOOUKNSYZGCFNS-UHFFFAOYSA-N 449.467 4.126 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc3[nH]c(C4CCC4)nc3c2)ccc1[N+](=O)[O-] 110340634 WCTWXVWIOOEAEA-OAQYLSRUSA-N 447.495 4.290 5 20 IIBD O=C(c1cc(N2CCC(Oc3ccc(F)cc3F)CC2)ccc1[N+](=O)[O-])N1CCCC1 301080186 FRJWMEFCGCQSAM-UHFFFAOYSA-N 431.439 4.157 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](CCc1ccccc1)c1ccccc1 303130353 IEKZCVUORUYZRD-MBSDFSHPSA-N 431.492 4.203 5 20 IIBD O=C(CCSCc1cn(-c2ccc(F)c(Cl)c2)nn1)Nc1ccccc1[N+](=O)[O-] 409863454 YZJZFRBROYYFIV-UHFFFAOYSA-N 435.868 4.230 5 20 IIBD Cc1sc2nc(CCC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)nc(O)c2c1C 427590560 BKOKPVZCJSJDEW-UHFFFAOYSA-N 426.498 4.046 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1ccc2nc(C3CC3)oc2c1 432182168 KTVNRARBPNXPPL-UHFFFAOYSA-N 438.259 4.177 5 20 IIBD C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1I 434250178 PCZAXCHVHJOJSJ-SWLSCSKDSA-N 436.249 4.218 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(CN2CCOCC2)c1 436043714 VXSXAQJMAPFWQU-UHFFFAOYSA-N 435.933 4.445 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NCc1cccnn1 436222790 MCGBRPZUXIJHDL-VBKFSLOCSA-N 431.477 4.242 5 20 IIBD COC(=O)c1c(C2CC2)csc1NC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 439671183 GZHKKPFWZKWTBC-UHFFFAOYSA-N 436.511 4.201 5 20 IIBD COc1cc(CC(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc(OC)c1OC 440595958 GPIIQHWUUFLVDP-UHFFFAOYSA-N 436.464 4.397 5 20 IIBD O=C1CCc2cc(OCC(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc3)ccc2N1 440601542 DNRCDFCHHFJRJL-UHFFFAOYSA-N 431.448 4.092 5 20 IIBD COc1ccc(OCCN2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c([N+](=O)[O-])c1 441498143 HVPVWCAABQKHDN-LJQANCHMSA-N 427.284 4.363 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)cc(F)c1F 441578235 UMAXKVHTVRHDHD-UHFFFAOYSA-N 430.816 4.434 5 20 IIBD CCOCCO[C@H]1CCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 441837850 ATZATGBZGRUDOH-SFHVURJKSA-N 430.526 4.322 5 20 IIBD CCO[C@@H]1C[C@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C12CCCC2 444117830 UJDGUQGTCSUPCH-VQTJNVASSA-N 426.463 4.427 5 20 IIBD Cc1ccccc1COc1cccc(CC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 444636477 NNJLPFPDXHBJOV-UHFFFAOYSA-N 430.464 4.217 5 20 IIBD CN(Cc1ccccc1)c1ccccc1NC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 445241089 WLCKWRCRROFUPW-UHFFFAOYSA-N 430.468 4.429 5 20 IIBD CN(CCOc1cccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1)C1CCOCC1 447528467 JFUKMDRTTWSPNS-RUZDIDTESA-N 439.556 4.252 5 20 IIBD CCc1ccc(-c2nnc(N3CCc4ccc([N+](=O)[O-])cc4C3)n2C[C@H]2CCOC2)cc1 461390054 WCOWFMBUIAZDLH-GOSISDBHSA-N 433.512 4.015 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cc(-c4ccncc4)nn3C)cc2[N+](=O)[O-])C1 463903893 PMDWDWWIYWLRKX-IYBDPMFKSA-N 434.500 4.125 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 463972130 NKTJGHGOIYLURT-ROUUACIJSA-N 426.517 4.143 5 20 IIBD CC[C@H]1Oc2cc([C@@H](C)NC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)ccc2NC1=O 465361884 DAYYQMVVTUGJSQ-BFUOFWGJSA-N 425.485 4.493 5 20 IIBD CCCCS(=O)(=O)Nc1ccc(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 467383653 UDUITFUFTINQBX-UHFFFAOYSA-N 440.909 4.112 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1nc(C)c(Cc2ccc(C)cc2)s1 468027815 YGGMHVALMJHXKW-MRXNPFEDSA-N 442.545 4.130 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1[N+](=O)[O-] 474481298 WMDQORYZXCXPOF-GFCCVEGCSA-N 431.901 4.379 5 20 IIBD O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1cc(I)ccc1F 474956882 VKUMJWWPGJJXMC-UHFFFAOYSA-N 437.168 4.139 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(N[C@H](CO)c3ccc(Cl)cc3C(F)(F)F)cc2N1 481063523 XLPUYWXQCKYFGU-OAHLLOKOSA-N 429.782 4.297 5 20 IIBD COc1ccc(-c2nc(NC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)sc2C)cc1 481103687 LTNTZSNMGWXJGA-UHFFFAOYSA-N 435.465 4.473 5 20 IIBD C[C@@H]1CN(C(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C[C@H]1CO 481933773 IKDFHSCFSMDCSV-VQPBAUKFSA-N 437.521 4.222 5 20 IIBD COC(=O)c1cc(NC(=O)NCc2cc(F)c(C(F)(F)F)cc2F)c(C)c([N+](=O)[O-])c1 483527729 GJZGLSTUWAQZQJ-UHFFFAOYSA-N 447.316 4.309 5 20 IIBD CSc1cccc(N(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C2CCN(C)CC2)c1 484406406 LVIUYUFYWMCSGZ-UHFFFAOYSA-N 438.553 4.399 5 20 IIBD CCn1c([C@@H](C)NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])nc2ccccc21 484835469 LQBXRGQGEXGRBN-LLVKDONJSA-N 434.399 4.065 5 20 IIBD CSc1cccc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)c1[N+](=O)[O-] 485522358 WPMITGMMZMNDQE-UHFFFAOYSA-N 449.916 4.167 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC2(CCN(C)CC2)Oc2ccccc21 485967504 NKTJEHYXHGMMCM-IBGZPJMESA-N 441.553 4.425 5 20 IIBD COC(=O)c1cc(C)nc(N2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)c1[N+](=O)[O-] 488480317 PIIACVYWMLUTCU-LRDDRELGSA-N 439.390 4.070 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 488780052 HCMJZMZELWVPSI-HSZRJFAPSA-N 449.511 4.125 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(COC(C)(C)CC)c1C 488881294 NVSZZZUVTPYGAK-QGZVFWFLSA-N 431.537 4.480 5 20 IIBD CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 489134670 XVAVSXBSPNCZSQ-KRWDZBQOSA-N 449.511 4.277 5 20 IIBD O=C(N[C@@H]1CS(=O)(=O)c2ccccc21)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 489194293 HEXAIBRONVPNEG-GOSISDBHSA-N 440.502 4.004 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOC[C@@H]1c1nc2ccccc2s1 500687990 YYBKMMPMTIMXMJ-QFBILLFUSA-N 425.510 4.373 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)cc1[N+](=O)[O-] 502067030 PYTFPIFHQNRRSH-GOSISDBHSA-N 432.498 4.033 5 20 IIBD O=C(NCc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1)c1ccc(C(F)(F)F)cc1 502555375 YGTMIFQCOUSTST-UHFFFAOYSA-N 433.342 4.389 5 20 IIBD CCCN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@@H]1CCCN(Cc2ccccc2)C1 504982501 GPJLQLKYUJRSKP-JOCHJYFZSA-N 447.539 4.297 5 20 IIBD Cc1cn(-c2ccc(F)cc2)nc1C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 509602797 SXZDEADOGXWASY-UHFFFAOYSA-N 436.365 4.433 5 20 IIBD COc1ccc([C@H](NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c2ccc(F)cc2)cc1 509775871 KQBAVBAMGRPOFY-OAQYLSRUSA-N 430.457 4.119 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 510147746 OFNHBRWCKRHGMS-HBFSDRIKSA-N 427.570 4.492 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1-c1nc(Cc2cccc(F)c2)no1 510735609 LQHXORQJGCRDEI-UHFFFAOYSA-N 439.184 4.288 5 20 IIBD COc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1-c1ccnn1C 510815782 WOHWQXKNJJNZQR-UHFFFAOYSA-N 435.465 4.380 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C 511802557 PXKGVVUJWFMWSF-LAUBAEHRSA-N 427.570 4.492 5 20 IIBD CC[C@@H]1CN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C[C@@H](C)[S@]1=O 512468128 IDJWQVHLNPGTDN-JPVPZAKVSA-N 449.960 4.159 5 20 IIBD CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 520100857 ZBXJHINPABOVJR-UHFFFAOYSA-N 449.294 4.344 5 20 IIBD CC(C)c1nc2ccc(NC(=O)CSc3ccc(C(N)=O)cc3[N+](=O)[O-])cc2s1 520676077 JKNUHDRBYIEKQN-UHFFFAOYSA-N 430.511 4.158 5 20 IIBD CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc2c(c1)OCCO2 524144643 AUBQXJJKQMUNEY-SFHVURJKSA-N 435.274 4.256 5 20 IIBD Cc1cccc(Oc2ccc(NC(=O)CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1 526018885 XKSMDKDPSARIBE-UHFFFAOYSA-N 426.450 4.108 5 20 IIBD CCN([C@@H](c1cccnc1)c1ccc(F)cc1F)S(=O)(=O)c1ccccc1[N+](=O)[O-] 531190078 GAXNBTVDDMHJRQ-FQEVSTJZSA-N 433.436 4.068 5 20 IIBD O=C(CCn1cc(Br)c([N+](=O)[O-])n1)Nc1ccc(Oc2ccccc2)cc1 532018010 FUNOSMGAASWPPW-UHFFFAOYSA-N 431.246 4.375 5 20 IIBD CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 532927067 HZDBRDLWEWNBEH-AEFFLSMTSA-N 435.267 4.042 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc3c2CN(c2ccccn2)C3)cc1SC 533840797 MJKWYCFTCFABPG-UHFFFAOYSA-N 436.493 4.493 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2ccccc2N2CCC(CO)CC2)cc1[N+](=O)[O-] 535705658 UEQIRKXBNITZHA-UHFFFAOYSA-N 448.317 4.127 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1 537326347 VDPOENLKRBJEKH-PZJWPPBQSA-N 425.529 4.184 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1SCc1occc1C(=O)O 539568698 OEVPHGSUAJCFOJ-UHFFFAOYSA-N 426.450 4.451 5 20 IIBD O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(c2nc3cc(Cl)ccc3o2)CC1 541282854 RPCPJXALSWAMJL-MRXNPFEDSA-N 431.876 4.009 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccc(C(=O)N2CCCCC2)cc1 543122036 WTPDEDLHUXSCMR-UHFFFAOYSA-N 447.944 4.283 5 20 IIBD Cc1cc(=O)c(C(=O)N2CCCCc3c(Cl)cccc32)nn1-c1ccccc1[N+](=O)[O-] 543493771 YVZPEINVPANYAX-UHFFFAOYSA-N 438.871 4.086 5 20 IIBD C[C@H](NC(=O)C1CCCCC1)c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 546450332 KRAAKPWOTJWKQO-NSHDSACASA-N 437.294 4.089 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)C1CCN(Cc2ccccc2)CC1 550716471 AGTTVFPRZFIJEF-UHFFFAOYSA-N 446.345 4.402 5 20 IIBD CCN(C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCOC(C)(C)C1 555177217 MHVZOPMPIIACFY-CQSZACIVSA-N 432.443 4.015 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 557174572 UPRNJAQOTMIGTK-FQEVSTJZSA-N 438.402 4.277 5 20 IIBD COc1c(C(=O)Nc2nnc(-c3cccc(OC(F)(F)F)c3)s2)cccc1[N+](=O)[O-] 557517380 BKOHJSQEWJMPTA-UHFFFAOYSA-N 440.359 4.273 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@@H](c2ccc(C(C)(C)C)cc2)C(C)C)cc1[N+](=O)[O-] 559029559 PSEQWQAMBBBNIQ-HXUWFJFHSA-N 427.501 4.353 5 20 IIBD CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 559082900 FREZNQFCWBIYLG-SFHVURJKSA-N 440.479 4.091 5 20 IIBD O=C(NCCc1nc(C2(c3ccc(F)cc3)CCCCC2)no1)c1ccc([N+](=O)[O-])cc1 559984684 WGYCDAGUXUQRRE-UHFFFAOYSA-N 438.459 4.340 5 20 IIBD Cc1sc(S(=O)(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)cc1[N+](=O)[O-] 560018352 DCWHZXVEUKYEJM-UHFFFAOYSA-N 429.932 4.220 5 20 IIBD O=C(c1ccccc1OC(F)F)N1CCC[C@H]1c1nc(-c2ccc([N+](=O)[O-])s2)no1 566645517 LULBKOLXILWZGP-NSHDSACASA-N 436.396 4.285 5 20 IIBD COc1cccc([C@H]2[C@@H](c3nc(-c4ccc([N+](=O)[O-])cc4C)no3)CC(=O)N2C2CC2)c1 577456334 OKDDKMZDFPVEFS-FPOVZHCZSA-N 434.452 4.181 5 20 IIBD CC[C@@]1(CNCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])OCCc2ccccc21 580806177 ZOFHXTVNDTUIDI-QFIPXVFZSA-N 436.455 4.215 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])c1nnc(CCc2ccccc2)n1C[C@H]1CCCCO1 589678451 HQAXWXRMEZDIOM-JOCHJYFZSA-N 449.555 4.220 5 20 IIBD O=C(c1cc(-c2ccccc2)no1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 603601929 WVVQMIPMDBFTNH-UHFFFAOYSA-N 446.385 4.231 5 20 IIBD CCc1cc(=N[C@@H](c2ccccc2F)c2nccn2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 603937215 OOKYGTGONGBWMI-NRFANRHFSA-N 432.459 4.110 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] 603985470 KSSZGKBCUJUAAV-HZPDHXFCSA-N 445.541 4.089 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c(Cl)c1 604020903 DCYYPAUYCNHNGV-LBPRGKRZSA-N 437.930 4.426 5 20 IIBD Cc1ccc(NC(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)cc1[N+](=O)[O-] 604079998 MRZHKOAIUYSNTE-UHFFFAOYSA-N 437.283 4.200 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc(N2CCc3sccc3C2)nc1 604477138 XUUAWRKSEDADHD-UHFFFAOYSA-N 433.493 4.207 5 20 IIBD C[C@@H]1Cc2ccccc2N1C1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 604483459 WUINZEUFMCPFHR-OAHLLOKOSA-N 428.920 4.102 5 20 IIBD COc1cccc2c1OCC[C@H]2NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 604570613 DHKHROHUHIJPDG-GOSISDBHSA-N 425.485 4.093 5 20 IIBD COCCN(C(=O)C(=O)c1ccc(Cl)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 608895715 JQCZDXYAXFUVCU-UHFFFAOYSA-N 445.884 4.234 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)Cc1ccccc1C(F)(F)F)c1ccccc1[N+](=O)[O-] 609160697 MLFIPCRXEQVKJP-KRWDZBQOSA-N 438.402 4.355 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 609646663 GTROYVYSFDQGGW-HIFRSBDPSA-N 439.459 4.489 5 20 IIBD CCOc1cc(NC(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)c([N+](=O)[O-])cc1OCC 609711333 HMNONARBFAANTA-INIZCTEOSA-N 446.479 4.322 5 20 IIBD Cc1cc(N2CCN(C(=O)c3cc4occc4s3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 610161032 LJEPAVRJMWPCIX-UHFFFAOYSA-N 449.492 4.130 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CN2CCC(O)CC2)cc1 611407184 HWOCLZDGLOQOMC-UHFFFAOYSA-N 429.542 4.304 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCOCC2(CCCC2)C1 614043109 CMSUIHCJBRQRPJ-UHFFFAOYSA-N 439.299 4.120 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 619583089 BRLCSNHRZMWDEC-TXEJJXNPSA-N 428.329 4.261 5 20 IIBD O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 683556151 FHKZHOBBVWKSKJ-ZIAGYGMSSA-N 428.332 4.494 5 20 IIBD COc1ccc(NC(=O)COC(=O)[C@@H](C)c2c(Cl)cccc2Cl)c([N+](=O)[O-])c1 726030291 OXYXFZYHCROKIF-JTQLQIEISA-N 427.240 4.196 5 20 IIBD Cc1c(C(=O)NCc2cccc(CN3CCC(C)CC3)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 726799660 SWKSRSUKHOLRFZ-UHFFFAOYSA-N 440.500 4.282 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H](OC2CCCC2)c2ccccc2)c([N+](=O)[O-])c1 727017982 PXQPHPCRAQMYOD-VFNWGFHPSA-N 442.468 4.174 5 20 IIBD C[C@@H](Cc1cccs1)NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727474859 JKDVEOOZZDFODC-ZDUSSCGKSA-N 442.463 4.138 5 20 IIBD CN(C)C1CCN(c2ccc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)cc2F)CC1 728256551 HPVQGCBYDUXPHM-UHFFFAOYSA-N 441.507 4.091 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(N(C)C3CCN(C)CC3)cc2)cc1SC 728467274 JFNCHBPFFLSJQX-UHFFFAOYSA-N 444.557 4.108 5 20 IIBD COc1ccc2ccc(OS(=O)(=O)c3ccc(Br)cc3[N+](=O)[O-])cc2c1 728577852 PCBWDGQNUQKLDR-UHFFFAOYSA-N 438.255 4.287 5 20 IIBD O=C(NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 730691381 WANXIQLZDGZUBH-NWDGAFQWSA-N 449.699 4.164 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3[C@H](C)CO[C@@H](c4ccccc4)[C@H]3C)cc2)c(C)c1[N+](=O)[O-] 732016755 FVBNKJBAIGXSIZ-SWWFSWNPSA-N 448.523 4.447 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)cc1[N+](=O)[O-] 732524810 MKMKDEZUUBXTBV-UHFFFAOYSA-N 425.438 4.190 5 20 IIBD COc1ccc(-n2ccc(CNc3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])n2)cc1 732568037 ZIUIDHQKQWWYNA-UHFFFAOYSA-N 437.334 4.328 5 20 IIBD O=C(Nc1nc(-c2ccc(F)cc2)ns1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 732943580 PRTBRVTYJMSANH-UHFFFAOYSA-N 442.350 4.446 5 20 IIBD C[C@@H](Nc1cccc2c1CCN(C(=O)OC(C)(C)C)C2)C(=O)Nc1ccccc1[N+](=O)[O-] 734158766 UPLKFXQJCYMJPB-OAHLLOKOSA-N 440.500 4.327 5 20 IIBD O=C(CNc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)Nc1ccc(N2CCOCC2)cc1 735307036 GYEYMJHNZCUNFN-UHFFFAOYSA-N 448.479 4.274 5 20 IIBD O=C(COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)Nc1ccc(Br)cc1Cl 736877323 XHLLTFFENXAWDR-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)c1cc(F)ccc1F 740896905 HNAKPVYKVNQNCK-CQSZACIVSA-N 435.246 4.065 5 20 IIBD CCN1CCCC[C@H]1C(=O)O[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 741147410 IRQMBGAEXUSZIK-PZJWPPBQSA-N 425.485 4.001 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@]12CCc1ccccc12)c1cccc([N+](=O)[O-])c1 743315320 ZKJVBYQKVVSCGB-CHZKFRDHSA-N 448.519 4.427 5 20 IIBD C[C@H](OC(=O)c1c(N)cccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 745005721 HOBAUGUSZMNRCA-QMMMGPOBSA-N 431.754 4.033 5 20 IIBD O=C(COC(=O)c1ccc(Oc2ccccc2Cl)nc1)Nc1ccc(F)c([N+](=O)[O-])c1 747028792 GACOAJFUIAVCKK-UHFFFAOYSA-N 445.790 4.370 5 20 IIBD COc1ccc(Cl)cc1NC(=O)CCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 747534525 HUQCYGUYIGIEGZ-UHFFFAOYSA-N 427.244 4.061 5 20 IIBD Cc1ccc([C@H](NC(=O)COC(=O)Cc2cccc([N+](=O)[O-])c2C)c2cccs2)cc1 748472386 SHFVPCGGSNULFK-QHCPKHFHSA-N 438.505 4.265 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(N2CCc3sccc3C2)cc1 748693340 QOFQXKAARPMNJX-UHFFFAOYSA-N 429.523 4.328 5 20 IIBD CCN(C(=O)COC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)[C@@H](C)c1ccc(F)cc1 748943355 HBESWTNBWSQCET-AWEZNQCLSA-N 447.419 4.025 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CSCC(=O)Nc1c(C)nn(-c2ccccc2)c1C 750950127 RXOWOXGKVFXFOF-UHFFFAOYSA-N 426.498 4.278 5 20 IIBD COc1cc(CN2CCC[C@@H](C3(C)OCCO3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 753594316 IIVZYFSPRVTKCS-HXUWFJFHSA-N 442.512 4.157 5 20 IIBD C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-] 756251152 VHMKXZKGDTYUAX-OAHLLOKOSA-N 443.452 4.416 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 756966897 IUABXXHGBIMURO-KRWDZBQOSA-N 428.247 4.324 5 20 IIBD CC1(C)Cc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3I)ccc2O1 759450354 TXOZHVDSHJOECM-UHFFFAOYSA-N 438.221 4.165 5 20 IIBD O=C(NC1CC1)c1ccc(CN(Cc2ccco2)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 759697130 OSYJXJNYEJZCDQ-UHFFFAOYSA-N 436.424 4.195 5 20 IIBD Cc1cc(NC(=O)c2ccco2)sc1C(=O)O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 759940904 OORRXLIARICWLC-KGLIPLIRSA-N 444.469 4.347 5 20 IIBD CN(C)[C@@H]1CCCN([C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)CC1 759977767 PYPYJDDGWOUUGL-NQIIRXRSSA-N 430.936 4.344 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CCO1 761335574 AACPQICAIJVTPE-HRAATJIYSA-N 435.524 4.142 5 20 IIBD O=C(Nc1cccc(-c2noc([C@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)n2)c1)c1ccco1 761531948 AYHNCOMMFDTMPE-LJQANCHMSA-N 445.391 4.356 5 20 IIBD C[C@@H](OC(=O)[C@@H](C)Sc1nc2ccccc2s1)C(=O)Nc1ccccc1[N+](=O)[O-] 762910747 UFKWHWXBHWCGOX-VXGBXAGGSA-N 431.495 4.256 5 20 IIBD CC(C)C(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cc1 762991935 YLEWCQDWNSVOIM-CQSZACIVSA-N 444.459 4.421 5 20 IIBD Cc1ccc([C@](O)(Cc2noc(-c3ccc(NC4CC4)c([N+](=O)[O-])c3)n2)C(F)(F)F)o1 763299092 FHEJDYOLEWRGDV-GOSISDBHSA-N 438.362 4.113 5 20 IIBD O=C(c1ccccc1)c1ccc(N2CCOC[C@H]2C[C@H](O)c2ccccc2)c([N+](=O)[O-])c1 763377075 CPDDQWWAVLTEDD-QPPBQGQZSA-N 432.476 4.155 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)NCCc1c[nH]c2ccccc12 763812625 WUHGRJUIZRPJNY-CQSZACIVSA-N 441.509 4.092 5 20 IIBD CC(C)n1cccc1C(=O)O[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 763892134 VIYXROAHUVOPFI-ZDUSSCGKSA-N 428.470 4.285 5 20 IIBD COc1cc(N2CCC(OC(=O)c3ccc4nc(C)sc4c3)CC2)ccc1[N+](=O)[O-] 763990837 CLEXYUPRFVKZFG-UHFFFAOYSA-N 427.482 4.347 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 764202986 WECHCSHYFQRQQE-NRFANRHFSA-N 440.887 4.020 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN(C)CCOCc2ccccc2)c1=S 765083980 WFJGGWLNAUOIRG-UHFFFAOYSA-N 427.530 4.115 5 20 IIBD CC[C@@H](C)N(C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)[C@H](C)CC 767509024 FROXWKCTDGSTQL-HZPDHXFCSA-N 434.514 4.402 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CCC[C@H](C3OCCO3)C2)cc1 769308924 CBUDYFIILHRLTM-IBGZPJMESA-N 434.496 4.032 5 20 IIBD CN(C[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1)C(=O)OC(C)(C)C 770008254 UJXVDIFKTRMQOJ-ZDUSSCGKSA-N 426.901 4.359 5 20 IIBD CCCn1c(SCC(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nc2ccccc21 770411563 OUGUYJOCQFHKKO-CQSZACIVSA-N 442.497 4.017 5 20 IIBD CCc1nn(C)cc1C(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 770608238 PRTCJGVZJXDGMG-UHFFFAOYSA-N 428.832 4.016 5 20 IIBD O=C(CCC(=O)c1ccc2c(c1)OCCO2)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776132444 FBMJAUQODLYBJP-DEOSSOPVSA-N 448.431 4.057 5 20 IIBD CSc1cccc(C(=O)N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c1[N+](=O)[O-] 777175562 WAEODCCWULASTP-UHFFFAOYSA-N 435.546 4.180 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCc2ncc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2C1 777235941 OBVJPNUZVYZBJN-CQSZACIVSA-N 446.891 4.278 5 20 IIBD CSc1cccc(C(=O)N(c2ccc(O)cc2)S(=O)(=O)c2ccccc2)c1[N+](=O)[O-] 777300367 LNQFGLZSZUZHNE-UHFFFAOYSA-N 444.490 4.058 5 20 IIBD COc1c(F)cc(S(=O)(=O)Oc2ccc3ccc(C(F)(F)F)nc3c2)cc1[N+](=O)[O-] 777909756 CQSKKBVKFVCRSD-UHFFFAOYSA-N 446.334 4.077 5 20 IIBD CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cc1 779124010 AXJBXNCNITZCEP-UHFFFAOYSA-N 438.440 4.126 5 20 IIBD O=C(Nc1cc(F)c(N2CCCCC2)c(F)c1)c1cc([N+](=O)[O-])ccc1SCCO 779131604 OFWRWPNUYFRQHZ-UHFFFAOYSA-N 437.468 4.200 5 20 IIBD C[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1cccc(N2CCOC2=O)c1 780480860 RKDFDDIKPFYDHG-HNNXBMFYSA-N 427.460 4.129 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2c[nH]nc2-c2cc3ccccc3o2)cccc1[N+](=O)[O-] 781307884 IRDHSSYXDNOGAY-CYBMUJFWSA-N 434.408 4.224 5 20 IIBD C[C@H](OC(=O)c1cccc([N+](=O)[O-])c1Br)C(=O)Nc1ccccc1Cl 781675217 CBJWXRPXUAQFHO-VIFPVBQESA-N 427.638 4.195 5 20 IIBD O=C(OCc1noc(-c2ccc(Cl)cc2)n1)c1cccc([N+](=O)[O-])c1Br 781676572 SEICHCSNZYVVGE-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1ccn(-c2ccccc2F)n1 782255276 OLBKGRPZIRITLZ-UHFFFAOYSA-N 427.435 4.223 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)/C=C/c2cncc(F)c2)c2ccccc2)c([N+](=O)[O-])c1 785860194 YHUUCYLSRALWOF-DQACCSDVSA-N 435.411 4.374 5 20 IIBD C[C@H](CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(C(F)(F)F)cc1 786028956 VZCUFFJWVQCPKG-SNVBAGLBSA-N 429.782 4.125 5 20 IIBD Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 786931009 PCMKKJXZSXEAQE-UHFFFAOYSA-N 431.452 4.020 5 20 IIBD CN(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 790924184 WPMAAYMXKPPFPT-CVEARBPZSA-N 431.222 4.110 5 20 IIBD CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1c(F)ccc([N+](=O)[O-])c1C 800144036 QWBNSXGRKLSBOE-ZDUSSCGKSA-N 440.518 4.345 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CCc2sccc2[C@H]1c1cccs1 800626657 KAGDVOVTYJKWOZ-SFHVURJKSA-N 445.497 4.278 5 20 IIBD C[C@](O)(CCc1ccccc1)C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 801112297 HYEILJLEHYTOHZ-DEOSSOPVSA-N 434.448 4.136 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCc1cccc(Br)n1 805989882 VHKJYLROTJCYSW-UHFFFAOYSA-N 430.052 4.180 5 20 IIBD C[C@H](C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cccc(Br)c1 812609170 YAINTPMGZJMXNW-NSHDSACASA-N 432.230 4.254 5 20 IIBD COC(=O)Cc1sc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])nc1-c1ccccc1 813419821 QLPVBZWZLVLXSD-UHFFFAOYSA-N 431.857 4.340 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 813800543 UOYZFJKTZOAXGK-AWEZNQCLSA-N 434.493 4.047 5 20 IIBD CCc1nc(C(C)C)ccc1COC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 815199586 CMGMZGZCJJUNNQ-JOCHJYFZSA-N 439.512 4.332 5 20 IIBD CC(C)(C(=O)NC[C@@H](O)c1cccc(OCc2ccccc2)c1)c1ccccc1[N+](=O)[O-] 815814025 VATLUJDNVQHDHL-HSZRJFAPSA-N 434.492 4.301 5 20 IIBD C[C@H](c1ccc(F)cc1)N1CCC[C@H](OC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1=O 816402385 IXNWSCDCFHTLIE-SZNDQCEHSA-N 439.443 4.053 5 20 IIBD O=C(Nc1cccc(NS(=O)(=O)Cc2ccccc2)c1)c1cccc(Cl)c1[N+](=O)[O-] 817029532 IMTHSWSCIBXBNA-UHFFFAOYSA-N 445.884 4.442 5 20 IIBD Cc1cccc(C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)n1 891961576 RCMHGHPVADZPBA-IBGZPJMESA-N 425.828 4.488 5 20 IIBD Cc1cc(C)cc(OCCCOC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1 913223905 YRMKPYOOMGTQAH-UHFFFAOYSA-N 442.497 4.117 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(OCc2cccs2)c1 915253061 HNWKDBAJZMBYJM-UHFFFAOYSA-N 427.434 4.459 5 20 IIBD CCCOc1ccc(CN(CCC)S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1OC 918190899 STFGRENAIXHYPX-UHFFFAOYSA-N 440.493 4.132 5 20 IIBD CC(C)[C@@H](OC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCCCC1 920554116 IJUOQQAANFJBRH-OAQYLSRUSA-N 442.516 4.016 5 20 IIBD Cc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c2c1[C@@H](C)CC2=O 1319359087 NVXAWMVNTJDAHU-JTQLQIEISA-N 429.372 4.380 5 20 IIBD CN(Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@H]1CCCC[C@@H]1S(C)(=O)=O 1324745664 DOJQTNSMWBFRBQ-LPHOPBHVSA-N 426.922 4.296 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 1324883627 IEUWMBJKEOFEAF-UHFFFAOYSA-N 445.519 4.425 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCCc1nc(Cc2ccccc2)no1 1336373105 FITWZVJPQODZHC-UHFFFAOYSA-N 437.334 4.150 5 20 IIBD C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1N)c1ccc(OC(F)F)cc1 1340032364 SLSQGAPWGNOWKD-QMMMGPOBSA-N 430.205 4.032 5 20 IIBD Cc1cncc(C(=O)NC2(c3ccc(NC(=O)c4cc(O)cc([N+](=O)[O-])c4)cc3)CCC2)c1 1790754874 JMEFPQTYSSTXQY-UHFFFAOYSA-N 446.463 4.065 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@H]2CCCCN2C(=O)[C@H](F)c2ccccc2)CC1 1824854538 FADHKCSGNWGIRT-WIYYLYMNSA-N 443.475 4.132 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/C(C)C)CC1 1832512706 QAFSYNBLCREBLK-AQKVLALTSA-N 443.544 4.054 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 14893947 YKDRVTXNQDBWCG-UHFFFAOYSA-N 443.475 4.482 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1cnc(Cl)c(Cl)c1)c1ccccc1[N+](=O)[O-] 16144608 ZHJJBUXSHJCNHC-AWEZNQCLSA-N 426.256 4.109 5 20 IIBD CCOC(=O)C1CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 17169464 STLQGUXDFIYTFP-UHFFFAOYSA-N 445.903 4.276 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc([N+](=O)[O-])c1 17960123 CORQDHVLVREXOT-UHFFFAOYSA-N 439.493 4.401 5 20 IIBD O=C(CSc1nc(C(F)(F)F)nc2ccccc12)Nc1ccc(F)c([N+](=O)[O-])c1 22247914 WYYYIBMWIPISPO-UHFFFAOYSA-N 426.351 4.427 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)N3CCN(c4ccc([N+](=O)[O-])c5cnccc45)CC3)n2)cc1 25494572 BVBVSDDCUQWQFQ-QGZVFWFLSA-N 444.495 4.385 5 20 IIBD Cc1c(NC(=O)[C@H](C)Sc2nnnn2-c2ccc(C(C)C)cc2)cccc1[N+](=O)[O-] 26518659 LUZCHLILEAOKTN-AWEZNQCLSA-N 426.502 4.122 5 20 IIBD C[C@@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)N[C@H]1CCOc2ccccc21 26580934 KAUPDHXMDSMPFN-QRWLVFNGSA-N 445.544 4.207 5 20 IIBD O=C(NCc1cc(F)cc(F)c1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 30163544 YOTHJSPBARTXPB-UHFFFAOYSA-N 443.372 4.425 5 20 IIBD O=c1c2c(-c3ccccc3)csc2ncn1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 31842208 PETCAAGXQYEFHV-UHFFFAOYSA-N 431.433 4.132 5 20 IIBD CCOc1ccc(NC(=O)CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cc1 63305996 BXTXDWMNGITVQD-UHFFFAOYSA-N 435.436 4.154 5 20 IIBD COc1cc(OCC(=O)Nc2cc(-c3ccoc3)nn2-c2ccccc2)ccc1[N+](=O)[O-] 65064715 WQFKGHKUHGZTSE-UHFFFAOYSA-N 434.408 4.067 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCN(C/C=C/c2ccccc2)CC1 65308388 IJXMBPGQDDJRSD-QPJJXVBHSA-N 434.521 4.190 5 20 IIBD NC(=O)c1ccc(SCC(=O)N(Cc2c(F)cccc2F)C2CCCC2)c([N+](=O)[O-])c1 78505548 YIVZPORRTPCHIF-UHFFFAOYSA-N 449.479 4.035 5 20 IIBD Cc1cc(NC(=O)CCNc2ccccc2[N+](=O)[O-])n(-c2cccc(Br)c2)n1 106219888 RAFHFUXDSXCONW-UHFFFAOYSA-N 444.289 4.292 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc3[nH]c(C4CCC4)nc3c2)ccc1[N+](=O)[O-] 110340637 WCTWXVWIOOEAEA-NRFANRHFSA-N 447.495 4.290 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1c(Cl)ccc(F)c1Cl 195588870 QYHGLGHMNRNPPV-NXEZZACHSA-N 428.247 4.036 5 20 IIBD COc1ccc(CNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])cc1F 301107639 SQIQTFMDADPUNG-UHFFFAOYSA-N 431.445 4.155 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1cccc(C[S@](=O)c2ccccc2)c1 302616186 FYXLRIZOXBFNEO-NDEPHWFRSA-N 430.507 4.050 5 20 IIBD COCCN(Cc1ccc(F)cc1Cl)C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] 409962884 PTIUFPOQYUHUMT-UHFFFAOYSA-N 442.896 4.407 5 20 IIBD COc1ccc(CN[C@H](C(=O)O)c2ccc(F)cc2)cc1OCc1ccc([N+](=O)[O-])cc1 426769960 NLOSNYNCPGBHSS-QFIPXVFZSA-N 440.427 4.237 5 20 IIBD CSc1nnc(CNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)s1 431411218 XGZPOTKXJNDAAD-UHFFFAOYSA-N 449.945 4.364 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3ccc(Cl)c(OC)c3)CC2)ccc1[N+](=O)[O-] 432725379 MXCWAAZYSWBXQQ-UHFFFAOYSA-N 434.880 4.010 5 20 IIBD CCC(C)(C)NC(=O)c1ccc(N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl 433693447 JCWKSJYFDRJKFN-IBGZPJMESA-N 444.919 4.384 5 20 IIBD Cc1cccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1C(=O)N1CCCC1 436104178 QNMMIXUUJLZEMC-UHFFFAOYSA-N 425.488 4.478 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 436261313 BADWEGRBFTZMQI-UHFFFAOYSA-N 440.691 4.336 5 20 IIBD CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)c1ccc(O)c([N+](=O)[O-])c1 436943778 GWRCRSCLDCEYHO-UHFFFAOYSA-N 434.477 4.487 5 20 IIBD COc1ccccc1-c1noc([C@H](C)NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1 437988164 AGMXYABTPNYMPN-AWEZNQCLSA-N 437.456 4.089 5 20 IIBD COc1ccc(C(=O)NCC(=O)N[C@H](CC(C)(C)C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 439317479 FYYIAMNKQODQSX-QGZVFWFLSA-N 447.919 4.280 5 20 IIBD O=C(Nc1ccn(CCc2ccncc2)n1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 440732394 VDWAMQVGBKWNQY-UHFFFAOYSA-N 445.504 4.833 5 20 IIBD CC[C@H](C)N(CC(=O)O)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 442741484 BBOJKRPMPBCCLM-LBPRGKRZSA-N 436.848 4.374 5 20 IIBD O=C(Nc1nc2ccccc2nc1N1CCCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 443844532 RIHHBKJOHCEQCK-UHFFFAOYSA-N 431.374 4.409 5 20 IIBD C[S@@](=O)Cc1cccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 444027623 FNMSCELHQIKRJN-SSEXGKCCSA-N 426.444 4.090 5 20 IIBD CCO[C@@H]1C[C@H](NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C12CCCC2 444112795 DANDRMHAVXKGIS-RBUKOAKNSA-N 426.463 4.427 5 20 IIBD Cn1cc(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c(-c2ccccc2)n1 444302067 PGNWZMGJJOUDCU-UHFFFAOYSA-N 444.441 4.290 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Nc2nnc(Cc3cccc4ccccc34)o2)cc1[N+](=O)[O-] 446765526 ACQJBRTXFGRWOJ-UHFFFAOYSA-N 438.465 4.139 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCC(Nc2cccc(Br)c2)CC1 447697714 YVIWYEFGRXDZTA-UHFFFAOYSA-N 436.281 4.142 5 20 IIBD O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)N1CCOc2ccc([N+](=O)[O-])cc2C1 461411305 NDYVYXZPPVAQTF-UHFFFAOYSA-N 442.859 4.042 5 20 IIBD COc1ccccc1[C@@H]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 462330721 FVOBNDMGLAQTHZ-LLVKDONJSA-N 431.297 4.088 5 20 IIBD COc1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)ccc1[N+](=O)[O-] 466623083 MHAGGLXOARKVCJ-UHFFFAOYSA-N 438.465 4.172 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2 468127442 SYDQMMOVGJFMNQ-SFHVURJKSA-N 436.537 4.366 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CC[C@@H](C)[C@H](n4ccnc4)C3)cc2[N+](=O)[O-])n1 469381811 QTPZBUIXIZLZJM-CXAGYDPISA-N 443.554 4.431 5 20 IIBD O=C(NCC(=O)N1CCCC[C@@H]1c1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 470666042 DPCZAUPWHBWQKI-GOSISDBHSA-N 435.402 4.097 5 20 IIBD CNC(=O)c1ccc(Oc2ccc(Oc3ncc(Br)cn3)cc2)c([N+](=O)[O-])c1 473911176 IPBUQNYGXJCKAE-UHFFFAOYSA-N 445.229 4.092 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCOc2ccc(C(F)(F)F)cc21 475897676 IXHXJSYCROLFQR-UHFFFAOYSA-N 442.415 4.391 5 20 IIBD Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)Nc1cccc([N+](=O)[O-])c1 477137186 LMEXLJBIXZFERN-UHFFFAOYSA-N 429.274 4.471 5 20 IIBD O=C(Nc1cccc(-n2cc(C(F)(F)F)cn2)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 478643871 HDDQKHSJSYTLJT-UHFFFAOYSA-N 442.357 4.237 5 20 IIBD Cc1c(CNC(=O)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cccc1[N+](=O)[O-] 478668129 SPPPLPKYEDAVNR-INIZCTEOSA-N 433.468 4.111 5 20 IIBD CCOc1cc(Br)ccc1NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 478721249 KJCOATTWJQXWKF-UHFFFAOYSA-N 432.230 4.262 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)Cc1ccc(Br)cc1Cl 478921994 DXTNOGNWDLXCLJ-UHFFFAOYSA-N 442.697 4.361 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(C(=O)C3CCC3)cc2)cc1[N+](=O)[O-] 486260253 NGBGLUZKUINOSP-UHFFFAOYSA-N 437.481 4.110 5 20 IIBD Cn1nc(-c2ccc(Cl)s2)cc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 486556331 GGIMVYDTYZDFII-UHFFFAOYSA-N 433.298 4.164 5 20 IIBD Cc1ccc(-c2csc(NC(=O)Cn3cc([N+](=O)[O-])c(=O)c4ccccc43)n2)cc1C 487884988 GTRLGYUKQYXSIN-UHFFFAOYSA-N 434.477 4.289 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1[N+](=O)[O-] 488014101 YDSNYHKCNYILKA-OAHLLOKOSA-N 429.432 4.195 5 20 IIBD Cc1ccc([C@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1[N+](=O)[O-] 488053788 UMLMWMHDRRDJOY-INIZCTEOSA-N 439.493 4.195 5 20 IIBD C[C@H](O)C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)c1ccccc1 490586815 QELVQZQSIKRLSP-GHTZIAJQSA-N 433.508 4.491 5 20 IIBD O=C(Nc1cccc(Br)c1)C1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 491204535 AIOUTTBKOBHULC-UHFFFAOYSA-N 436.281 4.347 5 20 IIBD COc1ccc(NC(=O)CN[C@@H](c2ccccc2OC(F)F)C(F)(F)F)c([N+](=O)[O-])c1 491379471 ISFZNPQDBCKNRP-INIZCTEOSA-N 449.332 4.037 5 20 IIBD Cc1cc(N2CCOCC2)ccc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 497338851 UOMHFCOYGVMHPX-UHFFFAOYSA-N 438.528 4.228 5 20 IIBD O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 499072300 BLNARLMRXTVQQI-UHFFFAOYSA-N 438.831 4.260 5 20 IIBD CCOc1ccc(C(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)cc1[N+](=O)[O-] 499976148 CCNIXWZALCBODW-UHFFFAOYSA-N 440.500 4.060 5 20 IIBD COc1cc(CNc2ccc(C(=O)NC(C)C)c(C)c2)c([N+](=O)[O-])cc1OCC(F)F 500734115 LJBMVWXCTLJHRY-UHFFFAOYSA-N 437.443 4.306 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccc(C)c1)N1CCOCC1 504088770 KVNDIEORTPCUIW-OAQYLSRUSA-N 443.569 4.209 5 20 IIBD Cc1nn(CCC(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)c(C)c1[N+](=O)[O-] 505358998 GEWPDFPKHVOAFO-OAHLLOKOSA-N 438.328 4.237 5 20 IIBD COc1ccccc1N(Cc1c(F)cccc1[N+](=O)[O-])S(=O)(=O)c1ccc(F)cc1 505591563 SSTKONJKSHGJEL-UHFFFAOYSA-N 434.420 4.277 5 20 IIBD C[C@H](Nc1ccc(C(=O)N(C)Cc2nccn2C(F)F)cc1[N+](=O)[O-])c1ccccn1 506173688 ISLFKIVDNMOVTK-ZDUSSCGKSA-N 430.415 4.027 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(Cc1ccccc1)Cc1ccc(F)cc1 507904816 WBSURZBNCSYDKS-UHFFFAOYSA-N 430.457 4.134 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)Nc2cccc(OCc3cscn3)c2)cc1[N+](=O)[O-] 508037399 SLTMZGZHCDPXGD-UHFFFAOYSA-N 439.902 4.393 5 20 IIBD COc1cc(N[C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)c(F)cc1[N+](=O)[O-] 508280100 QGMGILJYWLTMHG-OAQYLSRUSA-N 448.447 4.487 5 20 IIBD O=C(c1ccc(Br)cc1Br)N1CCc2ccc([N+](=O)[O-])cc21 510002642 NHJJDBMTZCGAEG-UHFFFAOYSA-N 426.064 4.323 5 20 IIBD O=C(CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)Nc1cc(Cl)ccc1Cl 510823767 GDAPXZGSBQDULJ-UHFFFAOYSA-N 449.197 4.263 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2scnc2C)c([N+](=O)[O-])c1 511396234 ISMDBIZQBGFNID-UHFFFAOYSA-N 432.527 4.187 5 20 IIBD COc1ccccc1-n1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O 513886680 OYFYZXSHUOFDAI-UHFFFAOYSA-N 447.472 4.278 5 20 IIBD C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccc(F)cc2)cc1 515520561 LAUCRQQFGZKZDV-AWEZNQCLSA-N 443.456 4.026 5 20 IIBD CC(C)[C@@H](NC(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 517399995 GWRBHDZFTHXDOR-GOSISDBHSA-N 438.311 4.074 5 20 IIBD C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(OCC(F)(F)F)cc1 517946754 VMYNTUXFDOEFOK-JTQLQIEISA-N 438.811 4.229 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)Nc1cccc(NC(=O)Nc2ccccc2)c1 518839110 GGKLABWYYCDGKZ-UHFFFAOYSA-N 435.440 4.439 5 20 IIBD C[C@H]1CN(C(C)(C)CNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C[C@@H](C)O1 520881345 LGUZHWBMOJGLFJ-CALCHBBNSA-N 442.516 4.396 5 20 IIBD CN(C)[C@H](CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1cccc(C(F)(F)F)c1 521185147 UZNDUNRZDLQKIA-KZNAEPCWSA-N 425.455 4.186 5 20 IIBD O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@@H]1C[C@H]1c1cccc(Br)c1 522359009 LTTVPGUJHBRVNM-JKSUJKDBSA-N 427.258 4.490 5 20 IIBD Cc1cc(S(=O)(=O)Nc2nc3c(s2)C[C@H](c2ccccc2)CC3)ccc1[N+](=O)[O-] 522437383 WLCDZHPPPCXVBH-OAHLLOKOSA-N 429.523 4.433 5 20 IIBD COc1ccc(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1NC(C)=O 523335997 NETSEVJSUSQIEY-UHFFFAOYSA-N 448.479 4.104 5 20 IIBD COc1cc(CNCC(=O)N(C)C2CCCCC2)c([N+](=O)[O-])cc1OCc1ccccc1 532048491 OSSNMZOARYGYKB-UHFFFAOYSA-N 441.528 4.063 5 20 IIBD CC(C)C(=O)NCCCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 533770633 OVJGQEXBSWJEHN-UHFFFAOYSA-N 435.933 4.292 5 20 IIBD O=C(c1ccc(Cl)cc1)N1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 534848890 PZDRGIPEBWOJKH-UHFFFAOYSA-N 440.887 4.251 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(n2c(C)ccc2C)CC1 536479398 CEPSYSUIQHHNAA-UHFFFAOYSA-N 445.541 4.146 5 20 IIBD C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCCOc1ncc(C(F)(F)F)cc1Cl 536872862 YFZHRUZFKWJEEH-NSHDSACASA-N 446.813 4.048 5 20 IIBD COc1cc(CNC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])cc1OC 537360942 MPNIZULBBCSXHD-QKKBWIMNSA-N 437.899 4.187 5 20 IIBD Cc1ccc(C(=O)N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)CC2)cc1F 539338960 XKPWAGOISPRVMT-UHFFFAOYSA-N 445.516 4.141 5 20 IIBD Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)N2CCOCC2)cc1 539339657 DQQZRBOTAJPSTN-NRFANRHFSA-N 443.569 4.207 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CC[C@H](N(C)C)C2)cn1 539642001 KBPNAHWDMURELN-SFHVURJKSA-N 443.573 4.275 5 20 IIBD CC[C@H](C)Oc1cc(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])ccn1 539699119 ZZFPJLYQKVPTAC-LBPRGKRZSA-N 427.379 4.038 5 20 IIBD C[C@@H](Nc1cccc(C(=O)NCCC(N)=O)c1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 540836330 UAPASIMVJPVQGI-CQSZACIVSA-N 438.509 4.102 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccc(N2CCCCCC2)nc1 541398971 YCXYWTAAYCJLOR-UHFFFAOYSA-N 434.949 4.432 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC1CCN(C(=O)Nc2ccccc2)CC1 541408699 LVCITYXUMNEZNU-UHFFFAOYSA-N 448.932 4.153 5 20 IIBD CCN(CC)CCCC1CCN(c2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)CC1 542037408 JSKNQZSUIPFJDB-UHFFFAOYSA-N 447.967 4.133 5 20 IIBD CCOC(=O)C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1C)c1cccc(Br)c1 542264184 TVBZVCGKVIDDAO-QGZVFWFLSA-N 449.301 4.019 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)c1 542730297 USLBVUWXWQFRSL-GDLZYMKVSA-N 444.534 4.320 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 542988630 NZTGYFYULZCGBB-GFCCVEGCSA-N 436.312 4.306 5 20 IIBD CC(C)[C@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1F 543843724 WFJMEBONBLFFFJ-SFHVURJKSA-N 439.896 4.092 5 20 IIBD O=[N+]([O-])c1ccc2nc(O)cc(-c3nc(Cc4cc(Br)ccc4F)no3)c2c1 544954268 KJIIMTMCYWTLRL-UHFFFAOYSA-N 445.204 4.391 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3ccc(Br)cc3Br)n2)nc1 545777713 UGKRQYKOOBYYTC-UHFFFAOYSA-N 440.051 4.156 5 20 IIBD Cc1cc(C2CCN(C(=O)c3ccn(-c4c(Cl)cc([N+](=O)[O-])cc4Cl)n3)CC2)n[nH]1 546862141 DNQOLRGCUOBSFS-UHFFFAOYSA-N 449.298 4.139 5 20 IIBD CCN1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)c(C)c2)CC1 549402424 WGRVTQUKVWTGOD-UHFFFAOYSA-N 436.434 4.316 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c(OCC(=O)N(C)C)c1 553010447 JLUQLQLSFBSZQL-UHFFFAOYSA-N 431.514 4.123 5 20 IIBD C[C@]1(c2ccccc2)CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 553179720 JDWXUSPVTDQBCN-JPYJTQIMSA-N 441.553 4.231 5 20 IIBD CCc1nc2cc(CNC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)ccc2n1C1CC1 555002232 XPBVTGNHCZWUHR-UHFFFAOYSA-N 433.512 4.372 5 20 IIBD CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)c1ncnc2sc([N+](=O)[O-])cc12 557687450 ZKQBRMCKLSFQKJ-UHFFFAOYSA-N 440.312 4.049 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1nnc(SCc2cccs2)s1 557822231 PNJAPBDSSDRGRZ-UHFFFAOYSA-N 431.524 4.394 5 20 IIBD Cn1cc(CNCCc2cnc(SC3CCCC3)nc2)c(-c2ccc([N+](=O)[O-])cc2)n1 559350807 DCYITHGBRHLPDU-UHFFFAOYSA-N 438.557 4.152 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@](F)(c3cc(F)cc(F)c3)C2)cc1SC 560150182 XMFGTLAURTVIFV-LJQANCHMSA-N 426.416 4.314 5 20 IIBD CC(C)(C)CN(CC(C)(C)C)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 560215463 DOONJACJACBIQN-UHFFFAOYSA-N 428.327 4.217 5 20 IIBD Cn1cnc(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc([N+](=O)[O-])cc2)CCC3)n1 565134578 HVDZMUCRSYYSLV-SSZFMOIBSA-N 440.463 4.401 5 20 IIBD Cc1cc(OCc2nc(CC(=O)Nc3cc(Cl)cc(Cl)c3)no2)ccc1[N+](=O)[O-] 571601557 TUIUZLNKJDWDEP-UHFFFAOYSA-N 437.239 4.353 5 20 IIBD COCCN1[C@H]2CC[C@H]1CC(N(C)C(=O)c1ccc(Nc3ccccc3)c([N+](=O)[O-])c1)C2 577888907 KCRSCVUGYWFPBC-PMACEKPBSA-N 438.528 4.052 5 20 IIBD CCc1c(NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cnn1CCC(C)C 584187366 BJFMHRWODYLGHK-UHFFFAOYSA-N 429.521 4.275 5 20 IIBD COc1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc(Br)c1OC 585701428 AJALWLIFGVYGFJ-UHFFFAOYSA-N 435.274 4.179 5 20 IIBD Cc1cc(N2CCN(c3nnc(C(F)(F)F)s3)CC2)c([N+](=O)[O-])cc1C(F)(F)F 590138563 KERCNEFKUHTZPZ-UHFFFAOYSA-N 441.357 4.119 5 20 IIBD COc1ccc(-c2noc(CCCC(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)n2)cc1 603637863 BBDLJQUZMIOQLA-UHFFFAOYSA-N 448.382 4.216 5 20 IIBD COc1ccc(CSc2nc3ccccc3c(=O)n2Cc2cccnc2)cc1[N+](=O)[O-] 603723118 FWXUOKLTBLTMSX-UHFFFAOYSA-N 434.477 4.049 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3ccnc(N4CCCC4)c3)cc2[N+](=O)[O-])C1 603839948 IATHWPJSMHFVFC-HDICACEKSA-N 437.544 4.002 5 20 IIBD COc1ccc(-c2nc(CN3CCN(CCc4ccc([N+](=O)[O-])cc4)CC3)cs2)cc1 603867598 KLVGSOKENIZKRE-UHFFFAOYSA-N 438.553 4.087 5 20 IIBD CCO[C@H]1CCCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 604427949 NBVOJXVVNLODEJ-QFIPXVFZSA-N 434.496 4.018 5 20 IIBD CCOC(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)c(Br)c2)cc([N+](=O)[O-])c1 609375163 YVKUFKUOAVAXBD-SNVBAGLBSA-N 439.237 4.164 5 20 IIBD Cc1cc(C)c(-c2csc(NC(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)n2)c(C)c1 609441786 YDYLVVDXJOGTBS-UHFFFAOYSA-N 434.481 4.477 5 20 IIBD CC(C)c1cc(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)on1 609621226 UGXWIYSZNIERFR-UHFFFAOYSA-N 445.479 4.418 5 20 IIBD C[C@H](Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C(=O)N1CC(=O)Nc2ccccc21 609769035 NXRSMZGKOQXCQH-HNNXBMFYSA-N 432.436 4.173 5 20 IIBD Cc1ncc(CN(C)C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)s1 609856204 MYLAOEZPVDEFFZ-UHFFFAOYSA-N 426.285 4.124 5 20 IIBD O=C(c1cccc(Oc2cnccn2)c1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 609907234 ZHJRMIOSBXLZQJ-UHFFFAOYSA-N 432.358 4.382 5 20 IIBD CC(C)=CCSc1ccccc1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 610159728 JJMPDEDYPOASIW-UHFFFAOYSA-N 445.566 4.313 5 20 IIBD CCOc1cc(NC(=O)[C@H](c2ccccc2)N2CCCCC2=O)c([N+](=O)[O-])cc1OCC 610222412 SBLPMBAIHGDJBT-QFIPXVFZSA-N 441.484 4.085 5 20 IIBD Cc1noc(C)c1[C@@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 610937268 BWEILYKVQRNUAU-SNVBAGLBSA-N 446.510 4.228 5 20 IIBD CCCC(=O)Nc1cccc(CNC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1 611072800 UFAWCEJKHSYFCG-UHFFFAOYSA-N 434.290 4.334 5 20 IIBD Cc1c(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)nc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 727339558 UXMFHGRFAMLDHT-UHFFFAOYSA-N 431.405 4.114 5 20 IIBD Cc1nnc(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)n1CCc1cccs1 727653766 JZPOSMOVAXAZRX-UHFFFAOYSA-N 437.934 4.183 5 20 IIBD COc1cc(C(=O)Oc2cccc(-c3nc4ccccc4n3C)c2)c([N+](=O)[O-])cc1OC 728224978 MJEHHRUSZJWATN-UHFFFAOYSA-N 433.420 4.385 5 20 IIBD Cc1ccc(Cl)c(NC(=S)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1Cl 728446128 UDYPYXBHTWRUOZ-UHFFFAOYSA-N 426.329 4.124 5 20 IIBD O=C(OCc1nccn1CC(F)(F)F)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 728615504 FXKUAOTYRQCXRB-UHFFFAOYSA-N 434.374 4.323 5 20 IIBD C[C@@H](OC(=O)C[C@H](c1ccccc1)C(F)(F)F)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 728652386 IZZCHIHIQDMHRO-BXUZGUMPSA-N 428.338 4.340 5 20 IIBD CC(C)OCc1c(C(=O)O[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)oc2ccccc12 731508719 ZTJFCTLICWTWMO-FQEVSTJZSA-N 438.436 4.228 5 20 IIBD CC(C)(C)OC(=O)N1CCC(n2cccc2C(=O)OCc2c(F)cccc2[N+](=O)[O-])CC1 731520666 LWYPYBGGKVTSEM-UHFFFAOYSA-N 447.463 4.464 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1ccccc1Oc1cccc(F)c1 731614108 DVMHZQNKGXSYIF-UHFFFAOYSA-N 440.383 4.365 5 20 IIBD CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 733984514 NQTVUINFHNVPFN-ZUOKHONESA-N 443.928 4.071 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccccc1C(=O)NCc1ccco1 734993456 OMZVLZLKJYWEBJ-UHFFFAOYSA-N 443.843 4.179 5 20 IIBD Cn1c(SCC(=O)c2ccc(N3CCOC3=O)cc2)nc2cc3ccccc3cc2c1=O 741477035 YIYKJQBUJDYOJT-UHFFFAOYSA-N 445.500 4.018 5 20 IIBD CCn1nc(C)c(C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1Cl 741885566 PCPODILNFXOXFH-UHFFFAOYSA-N 428.832 4.245 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Oc1ccc(Br)cc1 742265474 KRQWVDMEZNAEQY-UHFFFAOYSA-N 427.059 4.432 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N2CCC(c3cc4ccccc4[nH]3)CC2)c([N+](=O)[O-])c1 744171681 SLFDJGBUMNJWSD-UHFFFAOYSA-N 429.480 4.425 5 20 IIBD CCCN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 744365986 PBTXMHMOINCHBD-CQSZACIVSA-N 445.438 4.475 5 20 IIBD C[C@H](OC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(=O)Nc1ccc(C(C)(C)C)cc1 744736526 OYUHXZGBVLAUJV-HNNXBMFYSA-N 436.468 4.262 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 746905493 FJPRQUOZOLCXOK-MRXNPFEDSA-N 427.360 4.410 5 20 IIBD CCCc1nc(C(=O)OCCN(C)c2ccc([N+](=O)[O-])cc2)nn1-c1ccccc1Cl 749057041 VKDOFJLBTIOPJD-UHFFFAOYSA-N 443.891 4.075 5 20 IIBD C[C@@H]1CCCN(C(C)(C)CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 749422744 WYYLHDCOJCMXBB-LLVKDONJSA-N 432.746 4.251 5 20 IIBD O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 754629234 CMZISMBNVXOAIO-PGRDOPGGSA-N 427.476 4.374 5 20 IIBD Cc1[nH]c2ccccc2c1C1CCN(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)CC1 755269128 OJAAAWGGFWHTDL-UHFFFAOYSA-N 433.468 4.038 5 20 IIBD C[C@H](CCn1cccn1)OC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 755829769 JHFZFWIQOUTGMP-GOSISDBHSA-N 445.479 4.209 5 20 IIBD O=C(NCc1ccnc(OCc2ccccc2)c1)NCc1cc([N+](=O)[O-])ccc1Cl 756921379 JKZAEQCBVRDXOF-UHFFFAOYSA-N 426.860 4.222 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)COc1ccc(F)cc1Br 758854340 SCIZNSIOEWXQQJ-UHFFFAOYSA-N 431.645 4.187 5 20 IIBD Cc1nnc(-c2ccc(C(=O)N(Cc3nnc(-c4cccc([N+](=O)[O-])c4)o3)C(C)C)cc2)o1 759054650 CISBKLLIMKTTHJ-UHFFFAOYSA-N 448.439 4.054 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3cccc(C4OCCO4)c3)n2)c(Br)c1 762260470 FLNJFBRLYINQGK-UHFFFAOYSA-N 432.230 4.044 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2ccc(F)cc2)CC1 762574636 DGLIJMZQKWTDJY-UHFFFAOYSA-N 446.500 4.409 5 20 IIBD O=C(OCc1nnc(-c2ccc(Br)s2)o1)c1c[nH]c2cccc([N+](=O)[O-])c12 762908442 SQXNNOIPFJQBQM-UHFFFAOYSA-N 449.242 4.307 5 20 IIBD CCOC(=O)Nc1ccc2c(COC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)cc(=O)oc2c1 763425542 RCRPFMSRABELNH-ZDUSSCGKSA-N 440.408 4.117 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 764222512 ZTOHQYRSXYBIPI-NSHDSACASA-N 434.905 4.354 5 20 IIBD O=[N+]([O-])c1ccc2nc(Sc3nnc(-c4cnccn4)n3Cc3ccco3)sc2c1 765567688 QSXHPKYGKKQVFN-UHFFFAOYSA-N 437.466 4.046 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])c2cccnc12 766226054 ZEGQYKWCGWVYFB-LBPRGKRZSA-N 443.843 4.297 5 20 IIBD CC[C@H]1CCCC[C@@H]1OCC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 766811150 ONCSBVLMAYEKLN-LRDDRELGSA-N 432.395 4.081 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 768687867 RMAFRAOUKLFUCJ-UHFFFAOYSA-N 442.928 4.330 5 20 IIBD O=C(Nc1ccc(F)cc1)C1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 769305720 LRORHQYNUWWMMM-UHFFFAOYSA-N 436.281 4.347 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(-c2noc(C3CC3)n2)cc1 769898746 PDHQGFZXNAJCCE-UHFFFAOYSA-N 435.845 4.252 5 20 IIBD Cc1cc(C)c(NC(=O)COC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c(Cl)c1 770155873 HINGIMHQAAFYEW-UHFFFAOYSA-N 441.665 4.423 5 20 IIBD C[C@]1(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CCCN(C(=O)c2ccccc2)C1 770330448 LIFLFIGGVUIRKJ-FQEVSTJZSA-N 446.301 4.238 5 20 IIBD COCC[S@@](=O)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c1 775486959 CRUCVXMRISUZAZ-GDLZYMKVSA-N 436.555 4.243 5 20 IIBD CSc1cccc(C(=O)OCC(=O)Nc2ccc(Br)cc2C)c1[N+](=O)[O-] 777078496 INMFNGKTDVTOIA-UHFFFAOYSA-N 439.287 4.183 5 20 IIBD C[C@H](CC(=O)O[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)C(=O)c1ccc(Cl)cc1 777215071 HIFOQPSPOPZECP-VXGBXAGGSA-N 436.823 4.167 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2cc(Cl)cc(C(F)(F)F)c2)c([N+](=O)[O-])c1 778530989 XJCWQAPXVNEYGL-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD Cc1cc(C(=O)O[C@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)nc(-c2ccc(Cl)cc2)n1 778790252 YCCWWELAJJXQIY-IBGZPJMESA-N 438.871 4.449 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)c1nccnc1Sc1ccccc1 778808368 CPWDYKMVKZZGET-OAHLLOKOSA-N 440.456 4.111 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1csc(-c2ccc(F)c(F)c2)n1 780130773 FKLFPBIYCHPMIG-UHFFFAOYSA-N 444.375 4.404 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 780683193 XCYAASQHULHTOR-QGZVFWFLSA-N 432.521 4.058 5 20 IIBD CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 781640722 CNDLUFIAIOYIDF-PMERELPUSA-N 433.486 4.122 5 20 IIBD Cc1cccc(Nc2nn(CN3CCC(n4ccc([N+](=O)[O-])n4)CC3)c(=S)s2)c1 782860267 OQDSYJWVBDOZRA-UHFFFAOYSA-N 431.547 4.125 5 20 IIBD O=C(c1cc(-c2ccccn2)nc2ccccc12)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 787502459 LEPMRMDHKPOMRW-UHFFFAOYSA-N 426.432 4.108 5 20 IIBD COc1cc(-c2nc(-c3ccc(-n4cnc5ccccc54)nc3)no2)cc([N+](=O)[O-])c1C 790218992 YVKYHUBDUKZLIH-UHFFFAOYSA-N 428.408 4.363 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccccc1)c1ccccc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 791310234 GDCOOJUGJSPKNE-QFIPXVFZSA-N 442.431 4.317 5 20 IIBD Cc1ccc(-c2n[nH]c(C)n2)c(NC(=O)COc2cc(Cl)c(Cl)cc2[N+](=O)[O-])c1 794497725 OSPVKAIWXXMVBH-UHFFFAOYSA-N 436.255 4.321 5 20 IIBD CCc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F 795933252 CGUPERKBSXISIL-UHFFFAOYSA-N 447.806 4.400 5 20 IIBD C[C@@H](Cn1ccc2ccccc21)C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 797002835 YLBYIDAFUPMDSW-PKOBYXMFSA-N 435.480 4.034 5 20 IIBD C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)OCc1c(F)cc([N+](=O)[O-])cc1F 803284949 VXXNUUZQEYFSRR-QMMMGPOBSA-N 433.194 4.042 5 20 IIBD CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])cc(C)c1F 803462841 STYMYCMAMJEAAK-GFCCVEGCSA-N 428.372 4.175 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N(Cc1ccccc1)C[C@@H](O)c1ccccc1 804408967 HUWRWHXCAOHOIJ-HSZRJFAPSA-N 443.459 4.225 5 20 IIBD O=C(OCC(=O)c1ccc(C(F)(F)F)nc1Cl)c1cc2cc([N+](=O)[O-])ccc2o1 811083094 FGYDIGYJQJUISK-UHFFFAOYSA-N 428.706 4.448 5 20 IIBD COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)c(I)c1 813247004 VGQKDUUTCDYZPX-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD O=C(Nc1cc(F)c(F)cc1N1CCOCC1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813249947 IZXAPSYEBSXHKF-UHFFFAOYSA-N 432.210 4.269 5 20 IIBD O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1cc([N+](=O)[O-])c(F)cc1F 825487432 CSBFWSFMHBCAPX-SFHVURJKSA-N 425.391 4.373 5 20 IIBD C[C@@H]1CCN(C(=O)COC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c2ccccc2S1 917263522 QLSLHXGUWXHDLD-CYBMUJFWSA-N 426.450 4.415 5 20 IIBD CCOC(=O)C[C@@H](c1ccccc1)C1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 917482230 HXJAFYBABVHLRS-QFIPXVFZSA-N 436.512 4.351 5 20 IIBD CC(C)(C)c1ccc(C2(C(=O)NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1 1115857815 XRDBAXKYQVAGDU-UHFFFAOYSA-N 436.917 4.082 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(-c3ccccc3COc3ccccc3)no2)ccc1-n1cncn1 1116605072 FRVONVPSPFHZJA-UHFFFAOYSA-N 440.419 4.472 5 20 IIBD O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CCCN2CCC[C@H]2C1 1318065035 OPFDQWPKENCWKI-SFHVURJKSA-N 428.920 4.171 5 20 IIBD O=[N+]([O-])c1cc(-c2nnc(-c3cc(F)ccc3Br)o2)ccc1-n1ccnc1 1326308550 AEOAUWVXFWFVQP-UHFFFAOYSA-N 430.193 4.399 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@@H]4C4CC4)cc3)CCC2)ncc1[N+](=O)[O-] 1786053586 QHFGLGOTNQIGFU-RTBURBONSA-N 434.496 4.092 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)CCC1)c1ccc(Cl)s1 1789687999 URCULZHFJZKEQU-UHFFFAOYSA-N 445.888 4.094 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)NC1(c2ccc(NC(=O)C3(F)CCC3)cc2)CCC1 1792053632 JCCZJAYZJUUUPL-VQHVLOKHSA-N 427.432 4.227 5 20 IIBD CC(C)[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C3)CC1 1801815935 SGRYDXPSCZZIBD-HRMJIJJXSA-N 441.572 4.238 5 20 IIBD C[C@@H]1CCC[C@@H]1C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)[nH]n1 1818952976 LLWQBOUZOUBPIG-FZHAMISPSA-N 441.488 4.053 5 20 IIBD CCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])c(O)cc2C)[nH]n1 1821939158 DEEZUZNHBSCRBE-INIZCTEOSA-N 443.504 4.074 5 20 IIBD C/C=C/C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)sc2C1 1824425237 QPUFRRHOVIOBLJ-QAVQXKDTSA-N 442.522 4.068 5 20 IIBD CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 9487752 PNPLPGYLOGAMGS-KBPBESRZSA-N 430.457 4.310 5 20 IIBD O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 16020919 HKCZJOMDIXHNNM-UHFFFAOYSA-N 433.464 4.263 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 16195793 XGWTYIQTWHHRGX-UHFFFAOYSA-N 430.360 4.011 5 20 IIBD C[C@H](OC(=O)c1ccccc1OC(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 21455550 TVPCKWDXRLNHQL-VIFPVBQESA-N 448.300 4.399 5 20 IIBD CCC[C@@H](C)NC(=O)[C@H](C)OC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 22670016 WWTVDOKMHXXZNL-KGLIPLIRSA-N 446.887 4.329 5 20 IIBD Cc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)nnn1-c1cccc([N+](=O)[O-])c1 25038272 JVLYIBJXHIHUEW-UHFFFAOYSA-N 448.464 4.050 5 20 IIBD Cc1cccn2cc(COc3ccc(C(=O)N(C)Cc4ccccc4[N+](=O)[O-])cc3)nc12 29829188 RGPHDELOAPJLSX-UHFFFAOYSA-N 430.464 4.402 5 20 IIBD O=[N+]([O-])c1cccc(OCCSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)c1 59122044 ANEIOFYGRYAJGH-LJQANCHMSA-N 444.488 4.343 5 20 IIBD Cc1cc(CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])ccc1Oc1ccc(F)cc1 63739408 FYJBHOVTQHLIDY-UHFFFAOYSA-N 431.445 4.094 5 20 IIBD CCN(CC)C(=O)Cc1ccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 64908238 WNSNQAPFMVDHRC-UHFFFAOYSA-N 438.509 4.382 5 20 IIBD CCCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1nnc(-c2ccccc2Cl)o1 96979961 BDGHGUHTGZBOGD-UHFFFAOYSA-N 443.891 4.457 5 20 IIBD CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1 109852087 FPPVNIGZQNFESY-OAHLLOKOSA-N 446.548 4.089 5 20 IIBD Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 110762321 QFWZVVNXIGWSHC-QFIPXVFZSA-N 442.479 4.463 5 20 IIBD COc1ccc(CNCC2(c3cccc(Br)c3)CCOCC2)cc1[N+](=O)[O-] 237367323 JDELJNPZJWGFBY-UHFFFAOYSA-N 435.318 4.204 5 20 IIBD O=C(c1ccco1)N1CCC(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 237817054 VFIJXLRRBNYFRD-UHFFFAOYSA-N 429.860 4.496 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSc1nnc(-c2c[nH]c3ccccc23)o1 261446841 OICFBJOGPMVOOB-UHFFFAOYSA-N 437.437 4.216 5 20 IIBD CC(C)(C)c1csc(CNc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])n1 301213126 WFCDMDMWXXRBJI-UHFFFAOYSA-N 438.575 4.136 5 20 IIBD CC(C)NC(=O)c1ccc(N[C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)c([N+](=O)[O-])c1 301995250 SDKDBYAPBBJLGY-HNNXBMFYSA-N 444.507 4.006 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N[C@H](Cn2ccccc2=O)c2ccccc2)c1Br 409525817 SKYRUUFHZPZZAR-OAHLLOKOSA-N 429.274 4.076 5 20 IIBD COC[C@@H](Cc1ccccc1)N(C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 426274580 ABELVGHFSBUOMC-GOSISDBHSA-N 425.407 4.013 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1I 428791423 FADGVAICCMASFV-UHFFFAOYSA-N 429.189 4.002 5 20 IIBD C[C@H]1C(=O)N(Cc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)C(=O)N1C1CC1 431229629 FCGZZDNJNPETCK-NSHDSACASA-N 433.823 4.495 5 20 IIBD Cc1ccc(-c2ncccc2NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)s1 438662685 TXOGWNOIRSADNK-UHFFFAOYSA-N 438.509 4.402 5 20 IIBD C[C@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 438701807 PMSXTIHTEBIYMN-DNVCBOLYSA-N 434.949 4.001 5 20 IIBD Cc1ccc(OCc2ccccc2)c(NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)c1 442206240 JFRYSDBTCXVEST-UHFFFAOYSA-N 433.420 4.029 5 20 IIBD CCOC(=O)C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(F)cc1 443871324 WATSPYQJZQJFKL-OAHLLOKOSA-N 428.338 4.177 5 20 IIBD COc1cc(C(=O)N2C[C@H](C)Oc3ccc(Cl)cc32)c([N+](=O)[O-])cc1OC(F)F 443974557 VPJSHZKDJUWCSQ-VIFPVBQESA-N 428.775 4.286 5 20 IIBD C[C@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccc([S@@](C)=O)cc1 444235811 GJMXFAQJYFXLMD-ZDUYTPDQSA-N 440.471 4.188 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)[C@@H](OC1CCOCC1)c1ccccc1 444916152 AJTTUFKXVZPCED-QVKFZJNVSA-N 429.473 4.050 5 20 IIBD COc1ccccc1Oc1ccc(CNC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 445082624 KNNBRQXYYDMSQT-UHFFFAOYSA-N 447.451 4.271 5 20 IIBD Nc1ccc(-c2noc(C3(c4ccc(Br)cc4)CCOCC3)n2)cc1[N+](=O)[O-] 445215499 QSMUBGZPDXBHBT-UHFFFAOYSA-N 445.273 4.086 5 20 IIBD Cn1cnc([N+](=O)[O-])c1-c1noc(/C=C\c2cn(-c3ccccc3)nc2-c2cccs2)n1 445576270 IYCNMSNMKYKVJC-KTKRTIGZSA-N 445.464 4.463 5 20 IIBD C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 446253451 RBEPUYJHZJSBQQ-DIFFPNOSSA-N 426.803 4.452 5 20 IIBD CCS(=O)(=O)C1CCN(Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 446851565 JLXNGRDHPFCQKK-UHFFFAOYSA-N 434.583 4.454 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)CC2CC2)c(C(F)(F)F)c1 447036878 HJOMGLDSSYYGFL-UHFFFAOYSA-N 432.395 4.354 5 20 IIBD O=C(Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 448323552 XUFABSNGPNQDLO-UHFFFAOYSA-N 442.357 4.237 5 20 IIBD CCN(C[C@H]1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1)CC(F)(F)F 462493303 XEEOFUPMPSWBKR-QGZVFWFLSA-N 438.450 4.279 5 20 IIBD O=C(Nc1n[nH]c(-c2cc(Cl)ccc2Cl)n1)c1ccc([N+](=O)[O-])c2cccnc12 463164495 UBYPSHGNSXLBMS-UHFFFAOYSA-N 429.223 4.487 5 20 IIBD C[C@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Oc1cccc(Br)c1 464694859 UZVZHVWNIHCSPY-CQSZACIVSA-N 448.317 4.155 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 464723187 LQIVGGBKBKZVKF-UHFFFAOYSA-N 426.498 4.216 5 20 IIBD CCC[C@H](NC(=O)[C@@H](C)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 464771961 DKBWNYXTTDUFIP-JPYJTQIMSA-N 425.529 4.484 5 20 IIBD COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl 467452877 CNPPUTDRJADXEB-UHFFFAOYSA-N 448.907 4.194 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 467981673 HOVCYYMLDQDHSZ-HNNXBMFYSA-N 433.333 4.342 5 20 IIBD COc1cc(CCNC(=O)N[C@@H](c2ccc(F)cc2F)C(C)C)c([N+](=O)[O-])cc1OC 468313430 UPIAKIKWDUSQPU-HXUWFJFHSA-N 437.443 4.129 5 20 IIBD Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 473685614 CZRJKJNPEBXMOL-UHFFFAOYSA-N 427.526 4.468 5 20 IIBD O=C(NCC(=O)N1CCCC[C@H]1c1ccccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 473924423 UHQFDUDAMINASV-SFHVURJKSA-N 435.402 4.097 5 20 IIBD COc1cc(C(=O)Nc2cnn(-c3ccc(Cl)cc3)c2)c([N+](=O)[O-])cc1OC(F)F 475877542 UYENJPRKIVOQRV-UHFFFAOYSA-N 438.774 4.296 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)cc1[N+](=O)[O-] 477127965 NYFOEERWVLLIGG-SNVBAGLBSA-N 429.782 4.391 5 20 IIBD CC[C@@H](C)NC(=O)c1ccc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c(C)c1 477558680 JCZJAORDPCJCEC-CQSZACIVSA-N 432.908 4.449 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)cc([N+](=O)[O-])c1 477621688 MPHLDHSAJQANIC-UHFFFAOYSA-N 434.273 4.254 5 20 IIBD Cc1nc(C2(NC(=O)c3ccc(N4C[C@@H](C)C[C@@H](C)C4)c([N+](=O)[O-])c3)CCCCC2)no1 477674447 HEALLKCXPBLZRO-IYBDPMFKSA-N 441.532 4.358 5 20 IIBD C[C@@H](Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(OCC(=O)NC2CC2)cc1 478351573 GEZDHKCVFYWJDD-GFCCVEGCSA-N 434.290 4.188 5 20 IIBD CCOC(=O)c1csc([C@@H]2CCCN2C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)n1 479323188 QGDRNAYAOMYSHO-SFHVURJKSA-N 446.529 4.097 5 20 IIBD O=C(NCCOc1ccc(Br)cc1C(F)(F)F)c1ccccc1[N+](=O)[O-] 480976627 XRBOETKDLKXLCD-UHFFFAOYSA-N 433.180 4.185 5 20 IIBD C[C@H](O)[C@](C)(CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccccc1 482120597 JFDXUXQUFUZDCG-NYHFZMIOSA-N 425.510 4.078 5 20 IIBD CCN(Cc1ccc2ccccc2c1)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 482383301 HRMKTXDVQHVQEZ-IBGZPJMESA-N 437.521 4.463 5 20 IIBD COc1ccc(CNC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])c(C(F)(F)F)c1 483630623 CCDOCZKGCOKGRA-UHFFFAOYSA-N 430.404 4.283 5 20 IIBD CCc1[nH]nc(C(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2F)c1[N+](=O)[O-] 485375935 JFYDNBCJMHXHIQ-INIZCTEOSA-N 447.264 4.301 5 20 IIBD O=C(Nc1ccc(Br)cc1Cl)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 485581808 ROCOJABPFRZGIA-UHFFFAOYSA-N 428.674 4.076 5 20 IIBD COc1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c(Br)cc1Br 486119066 JYYXVJFUZMIVKK-UHFFFAOYSA-N 444.079 4.310 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCC(COc3ccccc3)CC2)c(C)c([N+](=O)[O-])c1 486875507 VULLAFAEVGESDS-UHFFFAOYSA-N 427.457 4.013 5 20 IIBD Cn1cc(C(=O)N2CCn3c(cc4c(Cl)cccc43)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 487408260 DRCZJFLNRYPWGZ-UHFFFAOYSA-N 435.871 4.259 5 20 IIBD CC(C)[C@@H](C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccncc1 487750338 FHCYBILNGIHIQR-LJQANCHMSA-N 436.434 4.097 5 20 IIBD CN(C(=O)Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)[C@@H](c1ccccc1)c1ccc(F)cc1 487920067 QSHRGRQGBGMESK-DEOSSOPVSA-N 445.450 4.297 5 20 IIBD CC[C@H](NC(=O)N[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C)c1cccc([N+](=O)[O-])c1 488308289 UQXWASGIMREHSQ-ZBEGNZNMSA-N 427.427 4.482 5 20 IIBD CCn1c(S[C@H](C(=O)N2C[C@@H](C)C[C@@H](C)C2)C(C)C)nnc1-c1ccc([N+](=O)[O-])cc1 489394109 UEPTZMWGGPTGBK-FCEWJHQRSA-N 445.589 4.494 5 20 IIBD Cc1cc(F)ccc1C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 489973571 ULPUYCYEGGZJSI-UHFFFAOYSA-N 429.473 4.159 5 20 IIBD COc1cc(NC(=O)c2csc([N+](=O)[O-])c2)c(OC)cc1NC(=O)c1ccccc1 490984556 FVTFICFAUPJPEE-UHFFFAOYSA-N 427.438 4.178 5 20 IIBD Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1S(=O)(=O)C1CCCC1 491031163 MIFSYWXQMQASJX-UHFFFAOYSA-N 439.493 4.420 5 20 IIBD COC(=O)[C@H](C)CN(C)C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 498433960 GLYZAMKGYGCKRW-GFCCVEGCSA-N 445.522 4.237 5 20 IIBD CC[C@@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@H](O)C(F)(F)F 498580334 YQPLRBGWVPUSFY-CJNGLKHVSA-N 432.782 4.472 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(NC(=O)c2ccoc2)c1 499648699 JQUVWQIXNPZFPQ-GFCCVEGCSA-N 429.816 4.500 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCOC[C@@H]1c1nc2ccccc2s1 500695060 IFBXVLNHTHRXQQ-BLLLJJGKSA-N 447.900 4.225 5 20 IIBD O=C(NCCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cccc(Br)c1 500904348 VYULEPSIWIGPTC-UHFFFAOYSA-N 444.285 4.137 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 501416479 FPEAIWBKWOZVCZ-ZACQAIPSSA-N 429.542 4.323 5 20 IIBD COc1cc(OCC(=O)Nc2ccc(-c3nc4c(F)cccc4[nH]3)cc2)ccc1[N+](=O)[O-] 502545338 WXLUTDONDYRGIH-UHFFFAOYSA-N 436.399 4.303 5 20 IIBD O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 504263464 ACWVKYMHCBATNK-UHFFFAOYSA-N 425.294 4.181 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCCc2c[nH]c3ncccc23)cc1[N+](=O)[O-])c1ccccn1 505888425 QIZYHGFLOFAGFX-HNNXBMFYSA-N 430.468 4.012 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 506598005 XBMRRMSIMTWYQJ-CYBMUJFWSA-N 439.365 4.097 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)cc1[N+](=O)[O-])c1ccccn1 506927073 GZKTWGOSCBAGEX-OALUTQOASA-N 445.523 4.419 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)cc1 510456444 DXMUHLQTPGPUMQ-QZTJIDSGSA-N 428.432 4.369 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)cc1[N+](=O)[O-] 511882762 WMYKHUBUSJUBJI-UHFFFAOYSA-N 443.872 4.067 5 20 IIBD COCCOc1ccccc1NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 512169672 PHHKQGDUDRGPAC-IRXDYDNUSA-N 427.501 4.355 5 20 IIBD CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCN(CCc2ccccn2)CC1 512359669 KSWSSKGMZZAYDT-UHFFFAOYSA-N 437.569 4.252 5 20 IIBD C[C@@H](NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)c1ccc(Oc2cccnc2)cc1 514180086 UTQNNPMNYCYZGM-MRXNPFEDSA-N 434.452 4.316 5 20 IIBD Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)cc1[N+](=O)[O-] 515146927 UDBYPXSDXQIPEM-FQEVSTJZSA-N 442.475 4.271 5 20 IIBD CCCCn1c(SCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)nc2ccccc2c1=O 515410176 KNOWYDCNKGKFHT-UHFFFAOYSA-N 437.481 4.447 5 20 IIBD COc1ccc(CNC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)cc1[N+](=O)[O-] 515731982 XCHICHHTPQPVBF-UHFFFAOYSA-N 439.516 4.465 5 20 IIBD COC1(CNC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)CCC(c2ccccc2)CC1 519125935 IHRGMGLPSXMUDH-UHFFFAOYSA-N 435.480 4.321 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCCN(C(C)(C)C)CC2)cc1[N+](=O)[O-])c1ccccn1 520150355 IRJXCFJRAYLGSJ-KRWDZBQOSA-N 425.533 4.109 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@H](c1ccccc1Cl)N1CCCC1 520975018 DSJMLRLUGFWUHN-OAQYLSRUSA-N 426.904 4.156 5 20 IIBD CNc1ccc(C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)cc1[N+](=O)[O-] 521650695 XRZXBPVPSNPNHV-QGZVFWFLSA-N 428.247 4.296 5 20 IIBD CS(=O)(=O)c1ccc(OCCCC(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)cc1 522873049 CYNNDVGUUGYQHA-UHFFFAOYSA-N 446.525 4.133 5 20 IIBD CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 523845694 CTKYKWUUEGZZSA-INIZCTEOSA-N 431.876 4.074 5 20 IIBD COc1ccc(Oc2ccc(S(=O)(=O)N(C)Cc3ccccc3[N+](=O)[O-])cc2)cc1 524978792 IGNNQCCQGYQBOA-UHFFFAOYSA-N 428.466 4.216 5 20 IIBD Cc1ccc(NCCCNC(=O)N2CCC[C@H](CN3CCCC[C@H]3C)C2)c([N+](=O)[O-])c1 525321429 DVSJXUZSCIDANV-WOJBJXKFSA-N 431.581 4.001 5 20 IIBD Cc1noc(-c2ccc(C)c(NS(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])c2)n1 525749839 UJRLUHWLMQKKNI-UHFFFAOYSA-N 443.268 4.369 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCCC[C@H]1c1nc2ccccc2n1C 530893819 CRVIJVNJKCNKQD-IBGZPJMESA-N 428.514 4.014 5 20 IIBD CC(C)c1cccc(NC(=O)C[S@@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1 534796563 RRLWNAHCFVECDR-PMERELPUSA-N 427.482 4.261 5 20 IIBD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)ccc21 534960128 PBLBEOBDVDELJZ-UHFFFAOYSA-N 433.468 4.152 5 20 IIBD CC[C@@H](NC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1)[C@@H]1CCCO1 535142561 LJEFBUXRDBDOFU-MJGOQNOKSA-N 428.510 4.235 5 20 IIBD Cc1[nH]nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1-c1ccccc1 535393333 AWGCHLIDJITKGX-UHFFFAOYSA-N 426.376 4.113 5 20 IIBD COc1cc(Oc2ccccc2)ccc1NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 537357144 JODLMXFXYORMCB-UHFFFAOYSA-N 449.463 4.485 5 20 IIBD O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 538901184 CVTYSUCNKWBXLW-VFNWGFHPSA-N 448.928 4.467 5 20 IIBD C[C@@H]1CCN(C(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC12CCC2 538935680 WCVYXSJRAHSNJX-MRXNPFEDSA-N 443.525 4.048 5 20 IIBD Cc1ccc([C@H](C)NCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] 540477895 YHZZEYKLMABASB-PXNSSMCTSA-N 439.512 4.079 5 20 IIBD CCOc1ccc(NC(=O)CNc2ccn(-c3cccc(C(F)(F)F)c3)n2)c([N+](=O)[O-])c1 541168841 VQCNFNLBSLDWCZ-UHFFFAOYSA-N 449.389 4.249 5 20 IIBD COc1ccc([C@@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc2Cl)cc1 545365685 BGYXQPVFGMVHDD-OAQYLSRUSA-N 446.912 4.466 5 20 IIBD C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 545458283 ZBVIYYNWAZOUQG-BTPDRXCOSA-N 429.439 4.085 5 20 IIBD Cc1nc(-c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)nn1-c1c(Cl)cccc1Cl 545552435 FXYUDNVFKCKQIP-UHFFFAOYSA-N 432.227 4.090 5 20 IIBD COc1cc(-c2noc(-c3ccc4[nH]c5ccccc5c(=O)c4c3)n2)cc(OC)c1OC 547703807 GAGWSJIRXHKDDI-UHFFFAOYSA-N 429.432 4.424 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 549344113 NCURHGALTUWSNA-UHFFFAOYSA-N 444.900 4.011 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1 552762255 XYWHVPBRXBKJNJ-XLIONFOSSA-N 442.516 4.194 5 20 IIBD CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 555295280 DMVDHWAHOPGROI-GOSISDBHSA-N 442.903 4.101 5 20 IIBD O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CCC[C@H]1/C=C/c1ccccc1 556526113 NPPVWXWRSMYXMP-IJDCCNJMSA-N 444.285 4.000 5 20 IIBD COC(=O)c1ccc(CN[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)o1 564748675 QSFVEAVSCZUGPF-IBGZPJMESA-N 443.843 4.097 5 20 IIBD CC[C@H](NC(=O)c1ccccc1)c1noc(Cn2c3ccccc3c(=O)c3ccccc32)n1 580377939 RIDAYVLHLKCTDH-FQEVSTJZSA-N 438.487 4.467 5 20 IIBD CCOC(=O)c1sc2nc(CN(C)C)nc(Oc3cccc([N+](=O)[O-])c3C)c2c1C 603870247 DWSIEORGTVRZNM-UHFFFAOYSA-N 430.486 4.247 5 20 IIBD COc1ccc(CSCC(=O)N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)cc1[N+](=O)[O-] 604519674 NVQHCCPFNDZNGB-CVDCTZTESA-N 444.553 4.463 5 20 IIBD CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2I)[C@@H]1c1ccccc1 604567453 XNUDNABYWRQQJT-MRXNPFEDSA-N 436.249 4.423 5 20 IIBD COc1cc(CN(C)c2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)ccc1SC 608831064 ONSGGLVBCJHURH-UHFFFAOYSA-N 446.916 4.161 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3ccccc3)CC2)cc1OC 608967756 IVSQFZCRIFEVPH-SFHVURJKSA-N 428.485 4.039 5 20 IIBD O=C(Nc1cccc(Cl)c1)N1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 608975360 UMYNOZXXTMEKFY-UHFFFAOYSA-N 432.908 4.257 5 20 IIBD CC(C)(CNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccccc1Cl 609067760 XAVNJCHROIIDTL-UHFFFAOYSA-N 431.876 4.030 5 20 IIBD CSc1ccc(C(=O)N2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)cc1[N+](=O)[O-] 609113775 YVMDFYMJHVZCER-AWEZNQCLSA-N 446.504 4.130 5 20 IIBD COC(=O)CC[C@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)c1ccccc1 609263750 HBKXNOSQJYKSLN-FQEVSTJZSA-N 439.512 4.255 5 20 IIBD Cc1ccccc1-n1nc(C)c(CN(C)C(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)c1C 609548465 BYOQIDQMLOGFKR-UHFFFAOYSA-N 445.479 4.232 5 20 IIBD COc1cc(CCC(=O)N2CCCc3ccc([N+](=O)[O-])cc32)ccc1OCC(F)(F)F 609859369 DZGZBEVHGZJRIK-UHFFFAOYSA-N 438.402 4.457 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 610353609 CYGHCEAOHZTSDF-RYUDHWBXSA-N 427.345 4.346 5 20 IIBD C[C@@H](OC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C(=O)Nc1ccc(N2CCCCC2)cc1 725935016 CTVSUUXPQNIZEI-CYBMUJFWSA-N 433.411 4.047 5 20 IIBD COC(=O)N1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1 726556971 UGBHOEYPNJLEST-AWEZNQCLSA-N 449.916 4.360 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Oc2ccc(-c3noc([C@H]4CCCO4)n3)cc2)c1 729115091 YXOGQFTZEGSNQU-QGZVFWFLSA-N 427.438 4.437 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 734148469 VEKVHLGRXAOCDI-UHFFFAOYSA-N 440.500 4.247 5 20 IIBD Cn1cc(C(=O)OC[C@@H]2CCCN(Cc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 734294803 WOMQHQCBYDRQAE-LJQANCHMSA-N 434.496 4.064 5 20 IIBD CCc1ccc(OC(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)c([N+](=O)[O-])c1 734740276 XKDWGCYGSCZGGP-UHFFFAOYSA-N 425.462 4.350 5 20 IIBD Cc1cc(C)c(NC(=O)CCCOC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)c(C)c1 735353383 HTOSRUAJMYHXOF-UHFFFAOYSA-N 437.452 4.350 5 20 IIBD C[C@H](OC(=O)[C@@H](C)c1ccsc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 738827881 MONYFTHLJMBHBJ-RYUDHWBXSA-N 431.495 4.454 5 20 IIBD CC[C@H](OC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)C(C)(C)c1ccccc1 740693708 DNDHLNXXJMXSGZ-NRFANRHFSA-N 435.480 4.362 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(CC(F)(F)F)cc2)cc1Br 741653222 WXWITNUAXBXISY-UHFFFAOYSA-N 439.209 4.263 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 744615063 KZGQFCZZZYFMBX-ZDUSSCGKSA-N 445.859 4.090 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)Nc2cccc(F)c2C)cc1 744809576 JVNQJHZTAFQTFB-UHFFFAOYSA-N 444.440 4.371 5 20 IIBD C[C@H](OC(=O)[C@H](C)CC(=O)c1ccccc1F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 745486251 IAQJMDKSIWQENJ-NEPJUHHUSA-N 436.823 4.167 5 20 IIBD C[C@H](CC(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)c1cccc(F)c1 746087620 OOSOSTWAZFFVQG-CHWSQXEVSA-N 427.388 4.297 5 20 IIBD O=C(NOCc1ccc(C(F)(F)F)cc1)c1cc(F)cc([N+](=O)[O-])c1Br 747575844 OSJVXLHRPAIWBY-UHFFFAOYSA-N 437.143 4.377 5 20 IIBD O=C(NC[C@H]1CCN(c2ccccc2)C1)c1cc(Br)cc([N+](=O)[O-])c1Cl 749422197 QUSZDGINLSAXEE-GFCCVEGCSA-N 438.709 4.267 5 20 IIBD C[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)Oc1cccc(F)c1 749436723 OLWFYDYDBXRJJP-VIFPVBQESA-N 431.645 4.347 5 20 IIBD Cc1ccc([C@H](C)NC(=O)Cn2c(-c3ccc(F)cc3)c(C)sc2=O)cc1[N+](=O)[O-] 752055770 QZZGGGBKYHZJBS-ZDUSSCGKSA-N 429.473 4.118 5 20 IIBD NC(=O)c1cc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c(Cl)cc1Cl 752979476 QPIBKYHRIGTTCZ-UHFFFAOYSA-N 433.045 4.015 5 20 IIBD O=C(Nc1c(-c2cccnc2)nc2ccccn12)c1ccc(Br)c([N+](=O)[O-])c1 753350201 QXRPICAUJSABCN-UHFFFAOYSA-N 438.241 4.319 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)cc1[N+](=O)[O-] 753643367 FIGXNEVNDJBPJR-XJKSGUPXSA-N 439.331 4.456 5 20 IIBD Cc1ccc(N(CCC(C)(C)O)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 754280633 XQQRTOPCRWIIIN-UHFFFAOYSA-N 426.922 4.221 5 20 IIBD COCCOc1cc(C)ccc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754635096 HGWFCVJOPNVYPG-UHFFFAOYSA-N 427.226 4.082 5 20 IIBD Cc1ccc(C)c(NC(=O)[C@@H](C)OC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1 756526636 KSGGTDBXFCLWDM-CYBMUJFWSA-N 435.274 4.087 5 20 IIBD Cc1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2Br)c1Br 759327433 JNBMYHDPJVJENF-UHFFFAOYSA-N 428.080 4.358 5 20 IIBD Cc1cc(F)cc(C(=O)Nc2cc(NC(=O)CN3CCCC[C@@H]3C)ccc2F)c1[N+](=O)[O-] 760365488 TZVJKMHOTRXASW-AWEZNQCLSA-N 446.454 4.247 5 20 IIBD CCCc1c(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)cnn1-c1cc(C)ccn1 760523854 AFBZZRIDFCULTP-UHFFFAOYSA-N 449.920 4.199 5 20 IIBD Cn1ccc([C@@H](NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccc(Cl)cc2)n1 762781225 QSIUXKXWLPMAAV-QFIPXVFZSA-N 425.920 4.330 5 20 IIBD CC(=O)Nc1ccc(-c2csc(NC(=O)c3cc(F)c([N+](=O)[O-])cc3F)n2)c(F)c1 763383669 NAOJDBYIDRYPKW-UHFFFAOYSA-N 436.371 4.346 5 20 IIBD C[C@H](OC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N(C)Cc1ccc(Br)cc1 763401404 GHLYZWPWEBOFKD-KBPBESRZSA-N 449.301 4.051 5 20 IIBD CCC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(=O)Nc1cccc(N2CCCC2)c1 764221701 RXPWZSVASYGNGV-IBGZPJMESA-N 444.919 4.386 5 20 IIBD C[C@@H](Oc1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cc1)C(N)=O 764271859 CPHCOLQAMHTEDA-CYBMUJFWSA-N 430.482 4.101 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCc1nc(-c2cc(F)c(F)c(F)c2)no1 765530596 YMGCNFQFBSBPAQ-GFCCVEGCSA-N 435.358 4.374 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 766037571 KEHJKNRTLYDNIP-FQEVSTJZSA-N 447.438 4.010 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2c(C)cccc2[N+](=O)[O-])ccc1NC(=O)OC(C)(C)C 772292641 WANRNRWZRAHKQL-UHFFFAOYSA-N 443.456 4.354 5 20 IIBD Cc1cc(C[C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Br)n(-c2ccccc2)n1 773090986 MYPBZYWMEDFVEO-CYBMUJFWSA-N 443.301 4.212 5 20 IIBD Cc1ccc([C@@H](O)c2ccccn2)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 773621124 KWOSDXHVJLQXOW-HSZRJFAPSA-N 432.480 4.232 5 20 IIBD CC(C)CN(C(=O)c1ccc([N+](=O)[O-])n1C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 775496125 SRLGLEPLHMDGJM-UHFFFAOYSA-N 429.458 4.268 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 775976886 BKIDCSSJMZRKDE-OAQYLSRUSA-N 434.448 4.208 5 20 IIBD O=C(Nc1cccc(C(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])c1)NC1CC1 776138718 RUARXTVWEUXZQS-NRFANRHFSA-N 432.436 4.220 5 20 IIBD CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)OC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 778170817 YQJQSNDGIQTJPV-GFCCVEGCSA-N 446.362 4.206 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Oc1cccc(NC(=O)c2cnn(C)c2)c1 779907913 VZGAJQMDHDNUCD-UHFFFAOYSA-N 440.481 4.302 5 20 IIBD Cc1ccc(CC(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1Br 782466251 ZXSIXQSJICRQMF-UHFFFAOYSA-N 432.230 4.002 5 20 IIBD O=C(c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1C[C@@H]2C[C@]2(CO)C1 783792032 QNTVWAWCRCDQIU-ORAYPTAESA-N 438.427 4.219 5 20 IIBD CC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2ccc([N+](=O)[O-])cc2Cl)NC(=S)N1 783937780 HCBHXYJUKKMKRB-INIZCTEOSA-N 437.308 4.333 5 20 IIBD CCO[C@@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)O[C@H](C)c2ccccc2[N+](=O)[O-])C1(C)C 784847420 AFTHPHQCKNPEOS-SRVWHDFXSA-N 436.505 4.298 5 20 IIBD C[C@@H](OC(=O)c1cc(O)ccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 785866057 AYRUTJYIDRZMHZ-MRVPVSSYSA-N 432.738 4.157 5 20 IIBD Cc1nc(Br)ccc1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 785904711 YHMHWZVBLRKEAQ-UHFFFAOYSA-N 433.184 4.401 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H](O)c1cc2ccccc2s1 786323119 CJYNVYMGNYTTSB-HNNXBMFYSA-N 435.299 4.344 5 20 IIBD O=C(Oc1ccc(F)c(C(F)(F)F)c1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 786657415 UFSRMPXUHFNZGB-GFCCVEGCSA-N 432.351 4.024 5 20 IIBD COC(=O)c1ccc(C(F)(F)F)nc1SCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 790283061 CMAGOBLGZHHJRZ-UHFFFAOYSA-N 449.794 4.179 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N(Cc1ccccc1)C[C@@H](O)c1ccco1 790875535 GQHMIQASQBZKTB-LJQANCHMSA-N 432.835 4.285 5 20 IIBD CCOc1cc(N2CCN(C(=O)/C=C/c3cnc(C(C)(C)C)s3)CC2)ccc1[N+](=O)[O-] 794045340 RUSHUTMEUWYWIE-VQHVLOKHSA-N 444.557 4.110 5 20 IIBD CCc1[nH]nc(C(=O)O[C@@H](C)C(=O)N2c3ccccc3Sc3ccccc32)c1[N+](=O)[O-] 795614682 HKKMVZYUPXRGMK-LBPRGKRZSA-N 438.465 4.255 5 20 IIBD O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1cc(S(=O)(=O)C2CCCC2)ccc1F 797506085 WFZMISFMZKBODV-UHFFFAOYSA-N 441.864 4.461 5 20 IIBD CN(Cc1ccco1)C(=O)COC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] 799554323 ZMDXYOXPMYKPOC-UHFFFAOYSA-N 426.450 4.154 5 20 IIBD O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1ncccc1Oc1ccccc1 799606986 QTAMBWCBKJFZMV-UHFFFAOYSA-N 434.452 4.251 5 20 IIBD CC1CCN(c2nn(CN(C)CCc3cccc([N+](=O)[O-])c3)c(=S)n2C2CC2)CC1 800865600 GNAMHVOIBLNQGS-UHFFFAOYSA-N 430.578 4.025 5 20 IIBD C[C@H](CC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 801149860 FUXGBYKTQWQEQS-MJGOQNOKSA-N 433.549 4.269 5 20 IIBD O=C(Oc1ccc(SC(F)(F)F)cc1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 809058462 QSELUINQHKWOMN-UHFFFAOYSA-N 440.355 4.079 5 20 IIBD C[C@H](c1cccc([N+](=O)[O-])c1)c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 809429022 OEQGREAJZQTODN-SNVBAGLBSA-N 433.218 4.391 5 20 IIBD Cc1ccc(NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1OC(C)C 810406706 FEAJAMJJDRWKPB-UHFFFAOYSA-N 436.262 4.030 5 20 IIBD CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811216996 PCMMXRJSLWLZNK-OUQSZRGKSA-N 447.538 4.019 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 814141200 NXQOETGHPQGNFW-HKUYNNGSSA-N 431.533 4.069 5 20 IIBD C[C@H](OC(=O)Cc1c[nH]c2cccc(Cl)c12)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 814527372 RBYTVXROMURNAA-JTQLQIEISA-N 436.251 4.496 5 20 IIBD O=C(CSc1nnc(-c2ccco2)o1)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F 815178969 OGPRLPQYMQIQPA-UHFFFAOYSA-N 429.332 4.092 5 20 IIBD CSc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 823259141 KQDUAALLGJWHIZ-HNNXBMFYSA-N 443.525 4.491 5 20 IIBD CC(C)[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)N[C@@H]1CCCC[C@@H]1C 878473297 XJUSYNPVKWFAMR-COKJOHSESA-N 448.563 4.417 5 20 IIBD CCCc1noc2nc(C3CC3)cc(C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)c12 915575046 RPJDMHPJEMQSPG-GFCCVEGCSA-N 438.440 4.145 5 20 IIBD CSc1ccc(C(=O)OCc2nc(O)c3ccc(C(F)(F)F)cc3n2)cc1[N+](=O)[O-] 916607310 FXQZRRPQXUETDB-UHFFFAOYSA-N 439.371 4.341 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCC[C@H]1Cc1c(F)cccc1Cl 918446310 UOGHJTJYLXODTG-LBPRGKRZSA-N 440.258 4.213 5 20 IIBD C[C@@H](OC(=O)c1csc([N+](=O)[O-])c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 919368223 LLXTWWNKFNZIFM-CQSZACIVSA-N 426.450 4.419 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@@H](O)c1ccccc1C(F)(F)F 921077676 CPIHXWYGYBZGAB-OAQYLSRUSA-N 440.421 4.023 5 20 IIBD C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1N 1256680408 YYMUOAZFPGPCNT-VIFPVBQESA-N 435.303 4.382 5 20 IIBD Cc1ccc([C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2N)c2ccccn2)cc1 1322747318 WKXYAVYMPXBTMT-LJQANCHMSA-N 441.285 4.162 5 20 IIBD COc1ccc(-c2nnc([C@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)o2)cc1Br 1323015050 ZSDIDQHGDOWAMR-MRXNPFEDSA-N 445.229 4.282 5 20 IIBD Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 1324027443 PJXOQDWYNCFVEU-UHFFFAOYSA-N 449.250 4.098 5 20 IIBD O=C(c1ccc(SC(F)(F)F)cc1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1324344595 LSKDSZJJGRXSRX-UHFFFAOYSA-N 425.432 4.165 5 20 IIBD COc1ccc(NC(=O)NCc2cccc(C(=O)NCc3ccc(C)cc3)c2)c([N+](=O)[O-])c1 1346533991 QVYUNFZJSUOFFZ-UHFFFAOYSA-N 448.479 4.164 5 20 IIBD Cc1onc(C(=O)NC2(c3ccc(NC(=O)Cc4cccc([N+](=O)[O-])c4)cc3)CCC2)c1C 1785792397 YLSVLJRREFMMQX-UHFFFAOYSA-N 448.479 4.190 5 20 IIBD CC(C)O[C@H](C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc([N+](=O)[O-])o3)CCC2)cc1 1789592783 WGHVFVSOIRKFGL-PXUDHTSWSA-N 441.484 4.149 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2)CCC1)C1=COCCC1 1790699065 KCJZWTSKVDLRLX-UHFFFAOYSA-N 439.443 4.176 5 20 IIBD O=C(C[C@@H]1C[C@@H]2CC[C@H]1C2)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1[N+](=O)[O-] 1804344502 BBEQXVUCNRCXGT-SGGJHTDTSA-N 437.540 4.073 5 20 IIBD CC[C@H](C)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cc([N+](=O)[O-])ccc2F)[nH]n1 1815040827 UEQNVNNDCCOIJU-LIRRHRJNSA-N 445.495 4.128 5 20 IIBD CC/C=C(\C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2F)n[nH]1 1821051349 XPQYLHVADRHOBE-LGWVBRRBSA-N 429.452 4.119 5 20 IIBD Cc1ccc(C)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)c1 1829836312 XDRIJRZNJJASJL-NRFANRHFSA-N 438.528 4.087 5 20 IIBD CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)cc1 1830075308 WJDSPYNWBJETMD-OAQYLSRUSA-N 438.528 4.032 5 20 IIBD O=C(c1cc2sccc2s1)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)C1 1845314786 DZGKWKPJQRKQEG-UHFFFAOYSA-N 445.497 4.141 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CSc1nnc(-c2ccc(Cl)cc2Cl)n1N 8644753 YWUYJLNKKSPLER-UHFFFAOYSA-N 426.285 4.175 5 20 IIBD COc1cc(COC(=O)CSc2nc3ccccc3o2)c([N+](=O)[O-])cc1OC(F)F 10534123 MDSGJUGCLDJBIL-UHFFFAOYSA-N 440.380 4.182 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 11339952 QABQTXFABQCYOU-UHFFFAOYSA-N 426.476 4.366 5 20 IIBD C[C@H](OC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1cc2ccccc2o1 22243746 XWIHMZMITDMMNZ-KBPBESRZSA-N 437.452 4.338 5 20 IIBD Cc1ccc(C(=O)C2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)c(C)c1 26639177 CDIIWDDKQRMOFV-UHFFFAOYSA-N 429.904 4.398 5 20 IIBD Cc1c(C(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)nnn1-c1cccc([N+](=O)[O-])c1 29839310 OPIBHHOAPABEBH-HSZRJFAPSA-N 439.475 4.272 5 20 IIBD COc1ccc([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1Br 30428768 OFSWAHQDQLEIQX-VIFPVBQESA-N 449.710 4.059 5 20 IIBD Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)Cn1ccc([N+](=O)[O-])n1 65079358 LXINUFMXPXMZJW-UHFFFAOYSA-N 447.373 4.010 5 20 IIBD C[C@H](NC(=O)c1cccn1C1CCN(C(=O)OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 111207439 NNUICQPTIPCKEJ-INIZCTEOSA-N 442.516 4.459 5 20 IIBD COc1cc(CN[C@@H](C)C(=O)Nc2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 237142391 VERPFGLZXRJULL-KRWDZBQOSA-N 435.480 4.299 5 20 IIBD O=c1c(Cl)c(N[C@@H](c2ccccc2)c2ccccn2)cnn1-c1ccc([N+](=O)[O-])cc1 301190021 YDDLCRVHZUGOMK-NRFANRHFSA-N 433.855 4.391 5 20 IIBD Cc1ccc(NC(=O)[C@H]2CCCN(c3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)C2)nc1 302189712 XXQUSLUZYHPXBX-IBGZPJMESA-N 447.495 4.127 5 20 IIBD CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 426869271 PPKZSRPCPKJYTF-FQEVSTJZSA-N 436.859 4.310 5 20 IIBD Cc1ccc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c(C)c1S(=O)(=O)NC1CC1 426957940 VRBOZKXQYNZCHV-UHFFFAOYSA-N 431.514 4.028 5 20 IIBD Cc1ccc([C@H](C)NC(=O)Nc2ccc(C)c(S(=O)(=O)NC(C)(C)C)c2)cc1[N+](=O)[O-] 428889953 XTZYFFCLTUNUNR-HNNXBMFYSA-N 448.545 4.171 5 20 IIBD Cc1cc2cc(NC(=O)C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3C)ccc2[nH]1 430329527 JBWQSDVYKZDJIX-UHFFFAOYSA-N 431.246 4.033 5 20 IIBD Cc1cccc(C)c1[C@@H](C)NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C 430333731 BMWRHJSGTWQHPG-CYBMUJFWSA-N 434.290 4.098 5 20 IIBD COC(=O)c1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1F 432350541 ZAHMGUATNHNGOA-UHFFFAOYSA-N 445.628 4.118 5 20 IIBD CCn1nccc1C1CCN(C(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 434011652 MVJAOPMXDFVPFU-HDICACEKSA-N 439.560 4.313 5 20 IIBD CCOc1cc(Br)c(NC(=O)c2cccc(OC)c2[N+](=O)[O-])cc1OCC 435530930 IDUXOUGPYJTZFA-UHFFFAOYSA-N 439.262 4.416 5 20 IIBD CCOC(=O)[C@@H](c1ccc(Cl)cc1)N(C(=O)c1cccc(OC)c1[N+](=O)[O-])C1CC1 435975123 IUNKDQWNKJINLV-GOSISDBHSA-N 432.860 4.166 5 20 IIBD O=C(Nc1cc(C(F)(F)F)cnc1O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436070514 ZQJQETWAJUYUPG-UHFFFAOYSA-N 435.308 4.331 5 20 IIBD COc1ccccc1-c1noc([C@@H](C)NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 437129416 GFFKAHIGXGLFOJ-CHWSQXEVSA-N 428.470 4.011 5 20 IIBD COc1ccc(NC(=O)C(=O)Nc2cccc(COC3CCCCC3)c2)cc1[N+](=O)[O-] 438753118 HPDWZGHCHNLZEZ-UHFFFAOYSA-N 427.457 4.030 5 20 IIBD CSc1ccc(N(C)S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1 438778388 WWNOVFGKABSZTE-UHFFFAOYSA-N 431.333 4.213 5 20 IIBD O=C(Nc1cccc(CSC2CCOCC2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 440913117 PKYZZEXAYYPXSR-UHFFFAOYSA-N 449.916 4.238 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1(c2ccccc2)CCCC1 442525273 UXDSLNVKEKKAEW-CQSZACIVSA-N 447.438 4.151 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 443638123 IBNTZSPDHTVVRJ-KGLIPLIRSA-N 442.447 4.090 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCO[C@@]2(CCc3ccccc32)C1 444249882 WIBXQUXEQBFAIT-SANMLTNESA-N 428.463 4.135 5 20 IIBD COc1cccc(C(=O)NC[C@@H](C)Sc2ccc(Br)cc2)c1[N+](=O)[O-] 444263207 MSYZKXOYVPMZNH-LLVKDONJSA-N 425.304 4.277 5 20 IIBD O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 444284821 FYLWBRBFLIQGSZ-OAHLLOKOSA-N 435.886 4.483 5 20 IIBD COc1ccc(NC(=O)CCN[C@@H](C)c2nc3ccccc3n2C(F)F)c([N+](=O)[O-])c1 444673786 IZRSBTRIVAESJN-LBPRGKRZSA-N 433.415 4.028 5 20 IIBD CCCCOc1ccc([C@@H](C)NC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1OC 444979731 AALUASROZWFMHH-CQSZACIVSA-N 441.488 4.219 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccccc1NC(=O)N1CCCC1 445850018 UASHLDSPGYYZTA-UHFFFAOYSA-N 447.289 4.166 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 447068675 MHNPBVOCFJKEHX-KRWDZBQOSA-N 436.468 4.384 5 20 IIBD Cn1ccc([C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c2ccc(Cl)cc2)n1 460233506 VTZPOEGERKFOCJ-NRFANRHFSA-N 439.903 4.445 5 20 IIBD O=C(CSc1nnc(-c2ccc3ccccc3c2)o1)NCCc1ccccc1[N+](=O)[O-] 460499171 YYPYMXBQAMATGK-UHFFFAOYSA-N 434.477 4.249 5 20 IIBD CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 460627325 FCYQRJIPWNSKTB-RKXCMPKHSA-N 441.557 4.444 5 20 IIBD CCc1nc2ccc(Cl)cn2c1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 462205510 FGRCJEPHBQEXIT-UHFFFAOYSA-N 428.876 4.142 5 20 IIBD C[C@@H]1C[C@H]1c1ccc(CN(C2CC2)S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)o1 463679884 NEQBOAROYJEKOD-CXAGYDPISA-N 427.482 4.213 5 20 IIBD CCOc1ccc(Oc2cc(CNC(=O)NCCc3ccccc3[N+](=O)[O-])ccn2)cc1 465679587 JHMAOWGMHBBITE-UHFFFAOYSA-N 436.468 4.223 5 20 IIBD Cn1c([C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])c2ccccc2)nc2ccccc21 465806090 PUZVIBVTVFCKJT-QFIPXVFZSA-N 429.480 4.113 5 20 IIBD Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCc1ccc([N+](=O)[O-])cc1Cl 466284777 CGTHSBDXXPJVLS-UHFFFAOYSA-N 437.887 4.310 5 20 IIBD O=C(C[C@@H]1CCCCCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccco1 467073194 FMXQWEPBCZXVKT-ZDUSSCGKSA-N 426.878 4.048 5 20 IIBD COCCc1ccccc1NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] 468187638 OXBNDJVFTIIJGY-UHFFFAOYSA-N 443.481 4.080 5 20 IIBD CS(=O)(=O)c1ccc(N2CCC[C@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)c([N+](=O)[O-])c1 469066968 WUYOMBIKDTUNGJ-SFHVURJKSA-N 446.916 4.383 5 20 IIBD Cc1coc(-c2ccc(C)c(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)c2)n1 470093908 MVMRXTLZJMZKKI-MRXNPFEDSA-N 440.481 4.171 5 20 IIBD CN(Cc1nc(C(F)(F)F)cs1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 470660291 HQSLSQWWIBOEPM-UHFFFAOYSA-N 431.439 4.289 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC1CCN(C2CCCCC2)CC1 473552852 RFDSXPGHJZXPHB-UHFFFAOYSA-N 442.482 4.329 5 20 IIBD CC(C)c1ccc(C(=O)Nc2ccc(C(=O)N(C)[C@H]3CCCN(C)C3)cc2)cc1[N+](=O)[O-] 473843745 OTMFTTOEODOGOP-FQEVSTJZSA-N 438.528 4.137 5 20 IIBD COC(=O)[C@@H](CC(F)(F)F)NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 475147910 IJLSOXFFPCDLCV-GOSISDBHSA-N 448.401 4.031 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cc(Br)ccc1N1CCCC1 477562484 PLNYFDHOKNGILN-UHFFFAOYSA-N 433.306 4.317 5 20 IIBD NC(=O)c1ccc(CNC2(c3cccc(Br)c3)CCCCC2)c([N+](=O)[O-])c1 477640205 RKHOIBFQQVOUMJ-UHFFFAOYSA-N 432.318 4.405 5 20 IIBD CC[C@H](O)CCNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 478908502 ZWEVQLFELNBPLO-QCUIPMNBSA-N 425.510 4.412 5 20 IIBD CSc1ccc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3)c2)cc1[N+](=O)[O-] 479121659 OIEVYXNTLVLHGN-UHFFFAOYSA-N 443.506 4.370 5 20 IIBD Cc1ccc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1NC(=O)c1ccco1 479374876 LGOPTSUJOGOVEF-UHFFFAOYSA-N 427.844 4.374 5 20 IIBD CCc1[nH]nc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1Br 480009689 CJQUPPYDGOEIPJ-UHFFFAOYSA-N 436.310 4.131 5 20 IIBD Cc1c(CNC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)cccc1[N+](=O)[O-] 481481745 PJWSKNRPJMZPPY-UHFFFAOYSA-N 431.901 4.451 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2nc3cc4c(cc3s2)OCCCO4)cc1SC 482091095 DAWAOIQDAWJVAE-UHFFFAOYSA-N 447.494 4.349 5 20 IIBD CCOc1ccc(C(=O)NCc2cccc(C(=O)NCc3ccc(C)cc3)c2)cc1[N+](=O)[O-] 482205023 AWKMXKDOUMITET-UHFFFAOYSA-N 447.491 4.162 5 20 IIBD CC(C)(C(=O)NCCCOC1CCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 482215138 RAFACGUDVPLSIE-UHFFFAOYSA-N 439.556 4.060 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 482385836 MIDOUAPNYXCKOU-HNNXBMFYSA-N 449.332 4.308 5 20 IIBD COc1ccc(Br)c(NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])c1 483495115 AOSLVFSTMOFGHM-UHFFFAOYSA-N 427.276 4.349 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CCN2CCOCC2)cc1 484266660 LYVNOKWRXZJUHC-UHFFFAOYSA-N 443.569 4.470 5 20 IIBD O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CC[C@@]2(C1)OCc1ccccc12 485757337 MJTSUXAERDKUGI-VWLOTQADSA-N 430.460 4.445 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2C(=O)Nc3ccccc32)CC1 485850276 WJMXMQRITIZCNN-HXUWFJFHSA-N 425.510 4.295 5 20 IIBD CC[C@@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1cc(F)cc(Br)c1 485920551 IZLNSYKAKANRFP-QGZVFWFLSA-N 445.310 4.110 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 486190155 AQPHLJVEBFXIRG-QGZVFWFLSA-N 440.481 4.438 5 20 IIBD COC(=O)CCCOc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 486492915 VQXWAPZCYPHRGV-UHFFFAOYSA-N 444.487 4.125 5 20 IIBD O=C(NCC1(c2cccc(Cl)c2)CCOCC1)c1cc([N+](=O)[O-])ccc1OC(F)F 487781262 JRXQJXRHHTVGPN-UHFFFAOYSA-N 440.830 4.328 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1ccccc1O[C@@H]1CCOC1 488929056 CDZNQTSSHNBPGT-OAHLLOKOSA-N 425.363 4.103 5 20 IIBD CC[C@@H](C)c1nc([C@H](C)NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)n[nH]1 489239075 ZWWKBRGZFLSVDU-MNOVXSKESA-N 425.439 4.082 5 20 IIBD COc1ccc(NC(=O)CCN2CCC[C@H](c3nc4c(s3)CCCC4)C2)c([N+](=O)[O-])c1 490015065 GWFSVKSYIMBMGE-HNNXBMFYSA-N 444.557 4.147 5 20 IIBD COc1cc(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 493464917 NEYUBQNFOPNTMO-RDTXWAMCSA-N 445.903 4.215 5 20 IIBD CCOc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C(F)(F)F)c1 494080541 TWKKYCFDXIVLNI-LBPRGKRZSA-N 439.390 4.137 5 20 IIBD Cc1nc(-c2ccc([C@H](C)NC(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)cc2)cs1 494691708 QWEZQNMNSIYLSL-AWEZNQCLSA-N 440.529 4.331 5 20 IIBD COc1ccc(CN2CCCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC2)cc1 496503988 SUPNFARCHKCHGJ-UHFFFAOYSA-N 425.529 4.249 5 20 IIBD COc1cc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)cc([N+](=O)[O-])c1C 498851314 QOAYXFMBKIYARF-UHFFFAOYSA-N 431.246 4.112 5 20 IIBD COc1cc(CCNC(=O)N[C@H](C)c2ccc(OC(C)C)cc2)c([N+](=O)[O-])cc1OC 500397224 PNPDIHKQSSMVAA-OAHLLOKOSA-N 431.489 4.002 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)c1ccccc1OCc1ccccc1 502715452 JBLQXFKCGOJOIU-QGZVFWFLSA-N 433.464 4.298 5 20 IIBD COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)CNc1ccccc1[N+](=O)[O-] 504901641 HGGHGMCVRZYLBG-INIZCTEOSA-N 434.290 4.142 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ncc(Cc2cccc(Br)c2)s1 505353245 YFFNITHRHCKVES-UHFFFAOYSA-N 448.298 4.422 5 20 IIBD C[C@@H](NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)[C@H](c1ccccc1)N(C)C 505588847 VTQREGFHBKRCJZ-QKFKETGDSA-N 435.474 4.381 5 20 IIBD O=C(c1ccc(OCc2ccccc2)cc1)N1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 505791406 UFYVLBMWZUDTLR-UHFFFAOYSA-N 449.482 4.271 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](CN(CC)CC(F)(F)F)C1 506737218 LRWKYKKFLKIJHP-CQSZACIVSA-N 433.496 4.443 5 20 IIBD CCc1cc(=NCc2ccc(C(=O)N(CC)CC)cc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 507098972 WTHRXGFPEOPSHS-UHFFFAOYSA-N 433.512 4.130 5 20 IIBD CC(C)Oc1ccc([C@@H](C)NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 508756800 AFKLQLFILMEMAG-CQSZACIVSA-N 441.513 4.153 5 20 IIBD O=C(N[C@@H](c1cccs1)C1CC1)c1ccc([N+](=O)[O-])cc1I 508811825 OXRDCFBPCAKKLG-CQSZACIVSA-N 428.251 4.142 5 20 IIBD COc1cc(C(=O)Nc2cccn(C)c2=O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 509861868 FLHQBPJZERPPKM-UHFFFAOYSA-N 429.816 4.000 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)NC1CCN(CCc2ccccc2)CC1 510827549 WCCBASKWEYKXQF-UHFFFAOYSA-N 434.443 4.025 5 20 IIBD O=C(N[C@H]1CC(=O)N2CCCC[C@@H]12)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 512490965 PYBOVAWAOSTUOU-IRXDYDNUSA-N 445.928 4.283 5 20 IIBD COc1ccc(-c2nc(C(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCCO4)cs2)cc1 514864476 JFEQHNJSGYWPSQ-UHFFFAOYSA-N 427.438 4.141 5 20 IIBD COCc1nc2cc(NCc3cc(I)cc([N+](=O)[O-])c3)ccc2o1 514892928 HKGUSOJPOTUVOO-UHFFFAOYSA-N 439.209 4.099 5 20 IIBD COc1cccc(Oc2ccc(NS(=O)(=O)c3ccc(OC)cc3[N+](=O)[O-])cc2)c1 515656224 POWUQBYQUJMBDT-UHFFFAOYSA-N 430.438 4.205 5 20 IIBD COc1ccccc1OCc1ccc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)o1 517579742 UIXLGMBRZPDVRU-UHFFFAOYSA-N 434.408 4.213 5 20 IIBD CCCOc1cc(NC(=O)C(=O)N(C)[C@@H]2CCCC[C@H]2C)c([N+](=O)[O-])cc1OCCC 518149748 PNWWQEFTLLBCLK-NVXWUHKLSA-N 435.521 4.148 5 20 IIBD COC(=O)c1cc(C(=O)NCc2ccc(Oc3ccccc3OC)cc2)cc([N+](=O)[O-])c1 518379329 QCLMIQAIVNGLPX-UHFFFAOYSA-N 436.420 4.112 5 20 IIBD CCCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H](C)c1cc2ccccc2o1 518504347 ASURVQQLYVMCEM-AWEZNQCLSA-N 425.441 4.288 5 20 IIBD CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 518623995 ZYBUNIPTLFOAJK-CQSZACIVSA-N 446.525 4.330 5 20 IIBD C[C@H]1C[C@@H](C)CN(C[C@H](C)NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 521246776 QLIXCSLHLYISBH-RDGPPVDQSA-N 439.560 4.259 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C[S@](=O)C2CCOCC2)c1 522403080 DWAOUWBVNGLVPZ-FOGNVHKLSA-N 448.566 4.142 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 523548078 ZHKNUUVURDPMRP-MRXNPFEDSA-N 443.656 4.364 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cc(Br)cnc1OCC(F)(F)F 530787271 OWIDIAGZYWPQMN-UHFFFAOYSA-N 448.195 4.265 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cccn(Cc2ccccc2)c1=O 530798417 UCVJGDKLBWBBEG-UHFFFAOYSA-N 435.483 4.003 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cncc(-c2ccc3c(c2)CCO3)c1 533209294 ORFHZPRBFZGHEZ-UHFFFAOYSA-N 427.363 4.445 5 20 IIBD Cc1ccc(CNC(=O)C2CCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)cc1 534107408 FNVWRYLJTFEPHB-UHFFFAOYSA-N 434.496 4.087 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 535046206 BBLHKIIIHYRZMR-NRFANRHFSA-N 440.887 4.305 5 20 IIBD Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C 535926840 AMWLEFUZBOVQBL-AWEZNQCLSA-N 428.518 4.205 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 536700458 SIEUXWLNGCKJJW-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD CCS(=O)(=O)C[C@H](C)N(C)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 538728627 MKEWRZQKUJYUBG-AWEZNQCLSA-N 426.922 4.296 5 20 IIBD Cc1cc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] 539652549 HFJAJYLJVNYMAS-QFBILLFUSA-N 435.402 4.470 5 20 IIBD CC(=O)NCc1ccc(-c2csc(NC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)n2)o1 539845216 FIGIPIHRSRGNRP-UHFFFAOYSA-N 428.470 4.125 5 20 IIBD Cc1ccc([C@H](C)NCC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1[N+](=O)[O-] 540476407 NJFRASDTAADSKC-BXKMTCNYSA-N 441.528 4.229 5 20 IIBD Cc1ccccc1CN1CCC(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 541398391 MRWOXOFANNXBFO-UHFFFAOYSA-N 433.961 4.430 5 20 IIBD O=C(CCN1CCCCC1)Nc1cccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)c1 542760131 IPSRCWFPLHAJSG-UHFFFAOYSA-N 429.452 4.192 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCC(CCCn3ccnc3)CC2)cc1[N+](=O)[O-] 544023917 HJIGNQKROXVMCH-UHFFFAOYSA-N 435.322 4.195 5 20 IIBD CC(=O)Nc1ccc(S[C@@H](C)c2nc(CCNc3ccccc3[N+](=O)[O-])no2)cc1 545674528 QZZYHNSITFFBCR-ZDUSSCGKSA-N 427.486 4.444 5 20 IIBD Cc1nn(C)c2nc(-c3ccccc3)cc(-c3nc(Cc4ccccc4[N+](=O)[O-])no3)c12 546236138 LTFWFOIANZSWOY-UHFFFAOYSA-N 426.436 4.493 5 20 IIBD C[C@](O)(C1CCN(c2c([N+](=O)[O-])cnc3ccc(Br)cc23)CC1)C(F)(F)F 547342497 BRVQNCDJANIYPR-INIZCTEOSA-N 448.239 4.435 5 20 IIBD CCOC[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cccs2)C1 549959968 WUYODTSZNIHAJY-INIZCTEOSA-N 427.530 4.216 5 20 IIBD CCCOc1ccc(NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c(C)c1 551495628 JSSVCRVJPGATGB-UHFFFAOYSA-N 436.262 4.032 5 20 IIBD O=C(N[C@H](c1cncc(Br)c1)C1CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 552419809 HDSFWUAUFNPUPC-IBGZPJMESA-N 445.317 4.234 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H](c1cncc(Br)c1)C1CC1 552762443 DDIHWLNVVPLUHS-LJQANCHMSA-N 433.306 4.212 5 20 IIBD CN1CCC(Oc2ccc(CNC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 552781378 AIXDNTLYIXVCCS-UHFFFAOYSA-N 449.960 4.130 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc2c(Cl)cccc2n1 553099252 MXYGSCITSULDSQ-UHFFFAOYSA-N 426.816 4.123 5 20 IIBD Cn1cnnc1Sc1ccc(-c2nc(-c3ccc(Cl)cc3F)no2)cc1[N+](=O)[O-] 556346514 XWXKGENDUWUDQV-UHFFFAOYSA-N 432.824 4.384 5 20 IIBD CC[C@@H](Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1ccc(OC)c(OC)c1 557693926 MWTYWBYHWZBMCA-MRXNPFEDSA-N 444.875 4.375 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1Sc1nnc(COc2ccccc2Cl)n1C1CC1 557997393 HWBPAUUHVMZEHO-UHFFFAOYSA-N 434.909 4.430 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2c(F)cc(C)cc2I)c1 558802951 LCERAQQCLPFSLG-UHFFFAOYSA-N 444.200 4.298 5 20 IIBD Cc1cc(C)n2ncc(-c3noc(-c4cc([N+](=O)[O-])cc(Br)c4C)n3)c2n1 559969695 BLAPTSPMCDQXBW-UHFFFAOYSA-N 429.234 4.042 5 20 IIBD CCOc1cc(CN2CCC(F)(F)[C@@H](C)C2)ccc1OCCn1c([N+](=O)[O-])cnc1C 563791343 SWSGQZKPGJDHNZ-HNNXBMFYSA-N 438.475 4.055 5 20 IIBD O=C(Cc1noc(CCOc2ccc(Cl)cc2[N+](=O)[O-])n1)Nc1ccccc1Cl 564104180 ZOJKLFJKPUGOTC-UHFFFAOYSA-N 437.239 4.087 5 20 IIBD COCCOc1ccc(Cl)cc1-c1noc(-c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)n1 583056078 CSGHRULMLXANMM-UHFFFAOYSA-N 441.831 4.176 5 20 IIBD Cc1c(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)cnn1C1CCCC1 584522821 XUAZLGKNNXJVAC-UHFFFAOYSA-N 440.241 4.072 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CC[C@](CO)(c2ccccc2)C1 589727829 CNTKGYCKMFPTKX-QHCPKHFHSA-N 426.538 4.406 5 20 IIBD Cc1cccc2sc(C(=O)N3CCN(C(=O)c4ccccc4[N+](=O)[O-])CC3)c(Cl)c12 590530912 YGWCNHBYCUZLKG-UHFFFAOYSA-N 443.912 4.370 5 20 IIBD COc1ccc(Cl)cc1-c1nc(SCC(=O)Nc2c(C)cccc2[N+](=O)[O-])n[nH]1 594216724 LWEUHAJWBUKAQL-UHFFFAOYSA-N 433.877 4.081 5 20 IIBD COc1ccc(CNc2cccc(S(C)(=O)=O)c2)cc1OCc1ccc([N+](=O)[O-])cc1 600847964 AQHKWZGCPJXBGK-UHFFFAOYSA-N 442.493 4.198 5 20 IIBD COCCn1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)nc(C)c1C 603597300 IVCLJSVLHRLUNS-LBPRGKRZSA-N 446.451 4.193 5 20 IIBD O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 603692680 BBHWBVZDNMZGRZ-UHFFFAOYSA-N 428.901 4.334 5 20 IIBD C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 603741181 KDENTXCUVBGXMZ-IRXDYDNUSA-N 447.495 4.151 5 20 IIBD O=C(NCc1nnc2n1CCCC2)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 603919280 PRPULYIZOVANIQ-UHFFFAOYSA-N 443.916 4.257 5 20 IIBD O=C(c1cc(NC2CCN(Cc3ccc(F)c(F)c3)CC2)ccc1[N+](=O)[O-])N1CCCC1 603943989 WPOALEZKOPEXCR-UHFFFAOYSA-N 444.482 4.186 5 20 IIBD COc1ccc([C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cc1 604020132 FYXSZXSKARIMCV-HXUWFJFHSA-N 432.885 4.325 5 20 IIBD C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCCc1cc(-c2ccc(F)cc2)no1 608780170 HHUVBWIJIPSIJV-HNNXBMFYSA-N 426.448 4.281 5 20 IIBD CC[C@@H](C)Oc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 608806876 WPYOQRTVLAMLPM-IIBYNOLFSA-N 425.485 4.324 5 20 IIBD O=c1c(Cl)c(NCc2ccc(OC(F)(F)F)cc2)cnn1-c1ccc([N+](=O)[O-])cc1 608830496 NFSCJZOBUAADTH-UHFFFAOYSA-N 440.765 4.305 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)NC2(c3cccc(C)c3)CCCC2)cc1OC 608948600 MVHFTSZEMMVQRJ-UHFFFAOYSA-N 428.485 4.136 5 20 IIBD COCCCN1Cc2cccc(N[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c2C1 609076094 KDLLZYHEDICPHP-CQSZACIVSA-N 432.908 4.039 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1CN(c1ccccc1Br)S(C)(=O)=O 609221203 JHOORSKDTHLAPX-UHFFFAOYSA-N 443.319 4.111 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@H]3CCN(C4CCCC4)C3)cc2[N+](=O)[O-])n1 609310196 WUAVTYAIKKPBBX-HNNXBMFYSA-N 432.571 4.258 5 20 IIBD CCCOc1cc(NC(=O)c2cccc(-n3cccn3)n2)c([N+](=O)[O-])cc1OCCC 609906499 XRFAXTSNTHVXOQ-UHFFFAOYSA-N 425.445 4.005 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N(C)CCCOC(C)C)cc1[N+](=O)[O-] 610117236 AXXOHCQBDCEGEZ-UHFFFAOYSA-N 430.526 4.435 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c(Br)cc1F 610327210 AHYJSHSRGPRFHO-SECBINFHSA-N 440.225 4.166 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCCC[C@H]2c2noc(C3CC3)n2)cc1[N+](=O)[O-] 611073562 XSCJJFNBUAKBCS-AWEZNQCLSA-N 435.278 4.294 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N[C@@H]2CCc3cc(O)ccc3C2)cc1[N+](=O)[O-])c1ccccn1 618250283 VEMUSPXHOFQTDM-DNVCBOLYSA-N 432.480 4.156 5 20 IIBD NC(=O)c1ccc(SCC(=O)O[C@@H](c2ccccc2)c2cccc(F)c2)c([N+](=O)[O-])c1 726344134 GHSNQDCAYUOROZ-NRFANRHFSA-N 440.452 4.258 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OCC(=O)c2ccc3ccccc3c2)ccc1[N+](=O)[O-] 726675547 JMUIGJMIGDEJME-JOCHJYFZSA-N 446.459 4.087 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cnc(Cc2ccc(F)cc2)s1 727216613 AYEAFWPRHHWUOW-UHFFFAOYSA-N 440.412 4.188 5 20 IIBD CCc1cc2oc(=O)cc(COC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)c2cc1Cl 727564836 GPXANVSMDFZQNX-UHFFFAOYSA-N 445.811 4.045 5 20 IIBD C[C@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccc2c(c1)CC(=O)N2C 728280436 SLMPJRWXACDQEG-INIZCTEOSA-N 444.491 4.217 5 20 IIBD CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)OCCOc1ccccc1[N+](=O)[O-])O[C@H](C)C2 730654169 WOSZYDHQYRIECW-HFTRVMKXSA-N 427.453 4.043 5 20 IIBD O=C(Oc1cccc(NC(=O)c2cccs2)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 734115817 AMNPZQBDKINMPY-UHFFFAOYSA-N 434.433 4.314 5 20 IIBD C[C@@]1(c2ccc(Br)cc2)CC(=O)N(Cc2ccc(Cl)cc2[N+](=O)[O-])C1=O 734834340 IUGRDQOGBSNFNW-SFHVURJKSA-N 437.677 4.228 5 20 IIBD Cc1c(C[S@](C)=O)cccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 735022098 OPXZWYAOQJGXNK-PMERELPUSA-N 429.542 4.270 5 20 IIBD CN(C)c1cccc([C@H]2CCCN2c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])c1 735489558 FVSNHIWPXPNQQK-MRXNPFEDSA-N 443.447 4.296 5 20 IIBD CC(C)[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)Nc1ccccc1F 740423237 QLOKOHJJLFUXDR-INIZCTEOSA-N 439.237 4.317 5 20 IIBD CCc1cc(N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 740869201 IDBQONAXHBVFTI-HNAYVOBHSA-N 441.532 4.354 5 20 IIBD CCN1CCCC[C@@H]1C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 741147959 MRVVMTDEKFPPDN-WOJBJXKFSA-N 445.903 4.346 5 20 IIBD Cc1c(C(=O)N(C)CC2(c3ccc(Br)cc3)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 741199674 FBZFSGHBTVGQDI-UHFFFAOYSA-N 448.273 4.378 5 20 IIBD CC[C@@H](C)[C@@H](C(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C)N1C(=O)c2ccccc2C1=O 741935395 YUCNUFHQGUOTBQ-ZMZPIMSZSA-N 429.860 4.206 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(Cc3cccc4cccnc34)CC2)c(Br)c1 745439228 FSGGSAWNVZOOAK-UHFFFAOYSA-N 427.302 4.228 5 20 IIBD CC(C)[C@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)N1CCC[C@@H](C)C1 747958296 XUYGCKQDQPZASY-KDOFPFPSSA-N 431.514 4.158 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 749500986 FNVQCUNRZDADGR-PSGMQZRDSA-N 435.883 4.302 5 20 IIBD C[C@H](OC(=O)[C@H]1CCCN1Cc1ccc(F)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 750504923 UIOZYKXLKCVFGW-IFXJQAMLSA-N 440.431 4.053 5 20 IIBD O=C(OCc1nc2ccccc2n1C(F)F)c1cc([N+](=O)[O-])ccc1Br 751073033 SGZLQXQZOSLPQJ-UHFFFAOYSA-N 426.173 4.459 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@@H](O)c1cc2ccccc2s1 751490422 FCMDTUAICQLWAF-CYBMUJFWSA-N 447.321 4.128 5 20 IIBD Cc1cc(Cl)ccc1NC(=O)COC(=O)c1cc([N+](=O)[O-])c(Br)cc1F 751691055 RCEHRZVPYFCPKY-UHFFFAOYSA-N 445.628 4.254 5 20 IIBD O=[N+]([O-])c1ccc2nc(Sc3ccc(CN[C@H]4CCOC4)cc3[N+](=O)[O-])sc2c1 752103523 FDZRTLFSJWWQMT-LBPRGKRZSA-N 432.483 4.142 5 20 IIBD CCOc1cc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])cc1OCC 752625804 POIIXKJTERGIAG-UHFFFAOYSA-N 432.433 4.357 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)cc1[N+](=O)[O-] 753431487 LKCYTCDMHSCDIQ-IBGZPJMESA-N 433.302 4.252 5 20 IIBD Cc1noc(C)c1[C@H](C)CC(=O)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 753964379 ODQPIYPHJHIUMU-DNVCBOLYSA-N 443.500 4.321 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCc1cc2ccccc2s1 754762627 BEIWIUDHURDVAT-SFHVURJKSA-N 444.534 4.404 5 20 IIBD O=C(Nc1cccc(Oc2cccnn2)c1)c1cc(F)cc([N+](=O)[O-])c1Br 755016734 YKDYSPLCWSGRAT-UHFFFAOYSA-N 433.193 4.331 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCO[C@@]2(CCc3ccccc32)C1 755029482 FQCXSQMOWSZDKE-IBGZPJMESA-N 432.274 4.063 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 762992024 YASKUCLIKNAJPW-GHTZIAJQSA-N 427.501 4.297 5 20 IIBD C[C@H]1CCCCN1CCC1CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 763384232 BTBHJYYKQXJESQ-HNNXBMFYSA-N 445.532 4.072 5 20 IIBD COc1ccc([C@H]2CCCCCN2C(=O)COC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 763407283 ZBIRLKRMSXDQEZ-HTAPYJJXSA-N 440.496 4.394 5 20 IIBD COc1ccc(-c2nc(COC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)cs2)cc1 763868637 HMVBHCMYPZJNKF-UHFFFAOYSA-N 436.449 4.270 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CCCCC[C@@H]1C[C@H](O)c1ccccc1 764394965 RTIUYBULFPIJGZ-VGSWGCGISA-N 435.480 4.357 5 20 IIBD COc1ccc([C@H](CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)N2CCCCC2)cc1 764560737 JZTMHLROYXJCGW-VWLOTQADSA-N 438.572 4.389 5 20 IIBD COc1cc(COC(=O)c2sc(NC(=O)c3ccco3)cc2C)c([N+](=O)[O-])cc1F 766178837 OAKZIAUTLZTKOQ-UHFFFAOYSA-N 434.401 4.315 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)OCC3(CS(C)(=O)=O)CC3)cc2[N+](=O)[O-])cc1 767541826 HVHQKMPQBHXZPY-UHFFFAOYSA-N 435.523 4.036 5 20 IIBD Cc1cc(S(=O)(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)cc([N+](=O)[O-])c1F 768273562 KKOPYBAGSATYAV-CYBMUJFWSA-N 444.868 4.054 5 20 IIBD COc1ccc(CNC(=O)N(Cc2ccccc2)C[C@H](O)c2cccc(C)c2)cc1[N+](=O)[O-] 769037327 LTZZJYFNUSQLTI-QHCPKHFHSA-N 449.507 4.357 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C1(OCc2ccccc2)CCOCC1 770330995 PSFIJBMQMOLBPL-UHFFFAOYSA-N 435.274 4.062 5 20 IIBD O=C(Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)c1cc(Cl)ccc1[N+](=O)[O-] 772218908 BISJGNHEVXXZFU-QGZVFWFLSA-N 425.876 4.144 5 20 IIBD CC(C)(C)SCCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 772488724 KIMWRNBFOARYNB-UHFFFAOYSA-N 439.584 4.394 5 20 IIBD Cc1c(C(=O)N2CCN(c3cccc4cnccc34)C[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 773444629 YJALKEHYZPKFHP-CQSZACIVSA-N 449.467 4.019 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1ccc(N2CCCC2=O)cc1 775088135 ALANODGTSYXOAG-UHFFFAOYSA-N 442.493 4.262 5 20 IIBD CSc1cccc(C(=O)O[C@H](C)C(=O)Nc2ncc(Cl)cc2Cl)c1[N+](=O)[O-] 777079997 PQEINURNZOQGOP-MRVPVSSYSA-N 430.269 4.203 5 20 IIBD Cc1cc(C)cc(-n2nc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2C)c1 777157951 YOHVNQPTACXXRS-UHFFFAOYSA-N 442.859 4.155 5 20 IIBD CCc1cc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 780636922 IXERAQZHMTXYAD-UHFFFAOYSA-N 441.532 4.498 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(OC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cc1 781989432 DXCYBVBNIYWGMN-SFHVURJKSA-N 427.413 4.040 5 20 IIBD CCOC(=O)c1cc(C(=O)O[C@@H](c2ccncc2)c2cccc(OC)c2)cc([N+](=O)[O-])c1 782450661 UFLCRGSGFWLJCE-NRFANRHFSA-N 436.420 4.122 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3ccc(C(=O)CC)cc3)CC2)ccc1[N+](=O)[O-] 783390997 SGSDVZJKMZPQNS-UHFFFAOYSA-N 426.469 4.412 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)O[C@H](C)c3cccnc3)cc2)cc1[N+](=O)[O-] 785544263 LPYTUEWUPQSBQM-OAHLLOKOSA-N 441.465 4.017 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)cc1[N+](=O)[O-] 789068820 RXXYNVZDSMSAAJ-CVEARBPZSA-N 426.473 4.323 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Oc2ccc(-c3cscn3)cc2)c(C)c1[N+](=O)[O-] 790855793 CPZVBHFIZYZVRQ-UHFFFAOYSA-N 435.439 4.011 5 20 IIBD CN(Cc1nc2ccccc2s1)C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 792957167 WSCBCEFISKLPQV-UHFFFAOYSA-N 426.498 4.099 5 20 IIBD Cc1cc(OCC(=O)Nc2ccccc2C(=O)NC2CCCC2)c(Cl)cc1[N+](=O)[O-] 795257800 VYQPISQETPHWCI-UHFFFAOYSA-N 431.876 4.247 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)O[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl 795712299 TZQJTWNVOOIDIY-JTQLQIEISA-N 427.240 4.484 5 20 IIBD CC(=O)N(c1ccc(F)cc1)c1nc(COC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cs1 796259036 YWHNSYOBUFBILC-UHFFFAOYSA-N 447.448 4.079 5 20 IIBD CC(C)C(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc1 796439168 GYSYMGHWAJZTIN-HNNXBMFYSA-N 426.469 4.282 5 20 IIBD CCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@@H](c1cccnc1)c1ccc(F)c(F)c1 801894350 SHMRMJPBPZJXKF-HXUWFJFHSA-N 430.386 4.241 5 20 IIBD C[C@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(SCC(=O)N(C)C)cc1 809074998 SUIFVBNLVVBBHL-AWEZNQCLSA-N 434.539 4.172 5 20 IIBD C[C@]1(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)OCCc2sccc21 812263563 NSCOASIZIMWMNR-MRXNPFEDSA-N 445.722 4.290 5 20 IIBD CN1C(=O)C[C@H](c2nc(CCC(C)(C)[N+](=O)[O-])no2)[C@@H]1c1ccc(Cl)c(Cl)c1 812815666 UVIYEANNJWXTRN-ZBEGNZNMSA-N 427.288 4.051 5 20 IIBD COc1cc([C@H](C)NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc(OC)c1OC 812914173 HGMUNFHEJVNITH-VIFPVBQESA-N 429.256 4.418 5 20 IIBD CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 813062869 JNCDGAPJEKCQAS-JTQLQIEISA-N 446.312 4.231 5 20 IIBD CSc1ccc(C(=O)O[C@H](C(=O)N2CCc3sccc3C2)C(C)C)cc1[N+](=O)[O-] 876685440 QSQZPAJJXAOWLI-SFHVURJKSA-N 434.539 4.145 5 20 IIBD COc1ccc(CSCC(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] 914917861 SJYMJPOFLKBVDB-LBPRGKRZSA-N 438.889 4.060 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCc3c(cnn3-c3ccccc3)C2)CC1 917152857 HVRLYFFESLZUCN-UHFFFAOYSA-N 445.523 4.215 5 20 IIBD C[C@H](OC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 917257873 JRJLASGIIVLRJU-RSUWNVLCSA-N 446.422 4.022 5 20 IIBD CCOc1cc(NC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OCC 920046475 KZCTUMJIPIVGMP-OAHLLOKOSA-N 446.479 4.179 5 20 IIBD COc1ccc(-c2cc(COC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)on2)cc1 920552520 WQIPVXRCOQCOHW-UHFFFAOYSA-N 434.408 4.016 5 20 IIBD Cc1nc(-c2ccc(Cl)s2)sc1C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-] 921102801 HQBAWJYTZFCUST-UHFFFAOYSA-N 437.886 4.198 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N2CCC(Nc3ccccc3Cl)CC2)c([N+](=O)[O-])c1 1116348798 QKLBLTKRJPDDBK-AWEZNQCLSA-N 432.908 4.160 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CCCc3ccccc3)o2)c(I)c1 1257826218 WYZQYEGVWBMVBJ-UHFFFAOYSA-N 435.221 4.425 5 20 IIBD C[C@@H]1CCc2ccccc2N1CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 1323390283 NZZQDJPUOWGOOW-LJQANCHMSA-N 425.532 4.112 5 20 IIBD CN1CCN(Cc2cccc(CNCc3ccc(-c4ccccc4[N+](=O)[O-])s3)c2)CC1 1338755115 HHIUGFICBFAUOP-UHFFFAOYSA-N 436.581 4.361 5 20 IIBD CC1(C(=O)NC2(c3ccc(NC(=O)c4nc[nH]c4[N+](=O)[O-])cc3)CCC2)CCCCC1 1788613509 PXQDWBWWVDMKNV-UHFFFAOYSA-N 425.489 4.036 5 20 IIBD COc1cc(C(=O)NC2(c3ccc(NC(=O)[C@@]4(C)C[C@@H]4C)cc3)CCC2)ccc1[N+](=O)[O-] 1790425536 FALHRFREZRZARH-WNSKOXEYSA-N 437.496 4.397 5 20 IIBD C/C(=C\c1cccs1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1F 1800348935 BMYRNKGGJJRJKV-LPDAWJOVSA-N 443.500 4.151 5 20 IIBD Cc1ccc(CC(=O)N2CCC3(CCCN(C(=O)C4(C)CCCC4)C3)CC2)cc1[N+](=O)[O-] 1804990057 ZDUJDNMUPCZRNK-UHFFFAOYSA-N 441.572 4.257 5 20 IIBD C/C=C/C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n[nH]1 1821610140 FNWPYZUMRRMBMP-AUYOJAJCSA-N 439.497 4.415 5 20 IIBD C[C@@H]1CCC[C@H]1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830622190 TUFJVFWBHZOGRG-HGHGUNKESA-N 445.535 4.403 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(C)CCC2)CC1 1830787973 WTBCPRQOVAMPKZ-LJQANCHMSA-N 443.544 4.032 5 20 IIBD O=C(COC(=O)CSc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccc(F)cc2)cs1 9352187 LWXJMCJBWITIDB-UHFFFAOYSA-N 447.469 4.131 5 20 IIBD CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nc3cc4ccccc4cc3c(=O)n2C)c1 22253182 RJZPNXYFDWYREN-OAHLLOKOSA-N 431.517 4.409 5 20 IIBD Cc1csc(Sc2ccc(C(=O)OCC(=O)N[C@H]3CCCC[C@H]3C)cc2[N+](=O)[O-])n1 28808031 XTFIGVYUJAKHRO-DOMZBBRYSA-N 449.554 4.363 5 20 IIBD O=C(COC(=O)Cc1coc2cc3c(cc12)CCC3)Nc1cc([N+](=O)[O-])ccc1Cl 28918461 PMCACQCEARZJEU-UHFFFAOYSA-N 428.828 4.208 5 20 IIBD Cc1ccc(Oc2ccccc2NC(=O)COC(=O)COc2ccccc2[N+](=O)[O-])cc1 29269615 ZTGFPJKPDLAMEC-UHFFFAOYSA-N 436.420 4.256 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1cccc(Cn2cnc3ccccc32)c1 63677563 PAELDNYLTKNTTE-UHFFFAOYSA-N 432.505 4.401 5 20 IIBD Cc1cc(Oc2ncccn2)ccc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 65223872 WDFWWUKKFJDVHU-UHFFFAOYSA-N 434.861 4.248 5 20 IIBD O=C(NCC1(c2cccc(Cl)c2)CCOCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 65429253 CNYULYKTLYZACI-UHFFFAOYSA-N 429.904 4.301 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1C 68876054 FOAPINCLFPLMHX-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2cc([N+](=O)[O-])ccc2Cl)c1C 69065996 FGCBQFJAYLTPJC-QGZVFWFLSA-N 445.903 4.125 5 20 IIBD Cc1ccc(-c2csc(NC(=O)c3ccccc3S(=O)(=O)C(C)C)n2)cc1[N+](=O)[O-] 106203857 LTRZIBFYSXPARW-UHFFFAOYSA-N 445.522 4.461 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccnn1Cc1ccccc1Br 212037844 BGKLXIDSVDUQHZ-YFHOEESVSA-N 427.258 4.254 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNCc1ccc(OCc2c(C)noc2C)c(OC)c1 237200506 TXZOOSPVDWUCPQ-UHFFFAOYSA-N 427.457 4.086 5 20 IIBD COc1cc(CNc2ccc(CC(=O)N(C)C)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 237262510 AZAYDLYFVUUOGA-UHFFFAOYSA-N 449.507 4.425 5 20 IIBD O=[N+]([O-])c1ccc(N[C@H]2CCSc3ccc(F)cc32)c(S(=O)(=O)N2CCCC2)c1 247312173 ITWTWRUOKUERGA-INIZCTEOSA-N 437.518 4.167 5 20 IIBD COC(=O)c1cc(NC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)cc([N+](=O)[O-])c1 303679721 IRWOYSCIARBYAK-UHFFFAOYSA-N 435.223 4.126 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)cc([N+](=O)[O-])c1 303690307 LXANKCWGEAYLTH-UHFFFAOYSA-N 430.420 4.281 5 20 IIBD CC(C)(C)OC(=O)C1CCC(NC(=O)c2sc(Br)cc2[N+](=O)[O-])CC1 409550154 CZLVOWBIOOQIJP-UHFFFAOYSA-N 433.324 4.049 5 20 IIBD Cn1c(CCNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)nc2ccc(F)cc21 409605756 AEHXZQHSGRGUIC-UHFFFAOYSA-N 434.427 4.385 5 20 IIBD NC(=O)N1CCc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)cc21 428050435 WFDCZJGLCLGHHY-UHFFFAOYSA-N 434.477 4.440 5 20 IIBD CCOc1cc2c(cc1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)OCCO2 429382151 WTYDEYKMBCNFJH-UHFFFAOYSA-N 425.344 4.010 5 20 IIBD Cc1ccc(-c2nsc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])n2)s1 429781229 GHNVDNLYBVBWDA-UHFFFAOYSA-N 425.289 4.498 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccnc2c(Cl)cc(Br)cc12 431013199 HRKYGQRNJYJFLE-UHFFFAOYSA-N 438.669 4.093 5 20 IIBD Cc1ccccc1CN1CCC(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 431170064 NZUZATJKRJRFBV-UHFFFAOYSA-N 432.318 4.060 5 20 IIBD COC(=O)C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)c(F)c1 433642270 NOPFRAPWKDFDSQ-OAHLLOKOSA-N 430.219 4.467 5 20 IIBD Cc1cnc([C@@H](C)CNc2ccc([N+](=O)[O-])c(NC[C@H](C)c3ncc(C)s3)n2)s1 433763086 UKDBUUFMQHLSBS-RYUDHWBXSA-N 432.575 4.951 5 20 IIBD Cc1cccc(NC(=O)Nc2cccc(CNC(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])c2)c1 433992711 JHXCFVYMRQOTAQ-UHFFFAOYSA-N 436.472 4.324 5 20 IIBD O=C(NC[C@@H](CO)Cc1cccc(OC(F)(F)F)c1)Nc1ccc([N+](=O)[O-])cc1Cl 437596583 ZNGCNEXMFORIBA-LBPRGKRZSA-N 447.797 4.120 5 20 IIBD O=C(CCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1ccc(Oc2ccccc2)cc1 438782385 BHIRPQJPADTBJV-UHFFFAOYSA-N 431.404 4.012 5 20 IIBD C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 440497035 QPIHIEQSWIGQIZ-RXVVDRJESA-N 445.523 4.094 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N[C@@]1(CO)CCOc2ccccc21 441622565 FQMQJDIBPFGOAS-HSZRJFAPSA-N 435.436 4.179 5 20 IIBD CN(C)[C@@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1c(F)cccc1F 444025080 YYNAAGNHZBJGKS-IBGZPJMESA-N 439.437 4.131 5 20 IIBD O=C(NCCOc1ccccc1-c1ccccc1)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444988106 LXCMGDFBJPMEGW-UHFFFAOYSA-N 431.452 4.016 5 20 IIBD Cc1ccc(C(=O)Nc2cccc(CNC(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)c2)cc1 445502127 HGPAKADBWAAVHS-UHFFFAOYSA-N 444.491 4.423 5 20 IIBD Cc1nn(Cc2ccc(-c3nc(-c4nnc(-c5ccccc5)o4)no3)cc2)c(C)c1[N+](=O)[O-] 446016622 TVBLXGKGZGQWJZ-UHFFFAOYSA-N 443.423 4.223 5 20 IIBD COc1ccccc1NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 446297644 NVMGZDMXJXVIEN-UHFFFAOYSA-N 429.479 4.393 5 20 IIBD CC[C@@H](c1ccccc1)c1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1C[C@H]1CCOC1 461560739 MLZQMJQEBFNPKX-KNQAVFIVSA-N 449.555 4.444 5 20 IIBD COc1ccc(Br)c(C(=O)NCCCNc2cc(C)c([N+](=O)[O-])cc2F)c1 461961215 XPHUPXMBMZDLJG-UHFFFAOYSA-N 440.269 4.045 5 20 IIBD CC(C)N(C)Cc1ccccc1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 462440828 LXBSGGSUFNCPFC-UHFFFAOYSA-N 446.356 4.220 5 20 IIBD CCn1c(Sc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)nnc1-c1ccncc1 462442084 SICZYEHXQJONKL-UHFFFAOYSA-N 434.481 4.393 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1nc(-c2cccc(Cl)c2)no1 462627112 BQKSWAMZFFCXBU-OAHLLOKOSA-N 428.876 4.226 5 20 IIBD COc1ccc([N+](=O)[O-])c(NC[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c1 462805855 VRNSVDXIAUXGNB-LJQANCHMSA-N 425.407 4.108 5 20 IIBD COc1cc(CN(C)CCCc2cc(-c3ccc(F)cc3)n(C)n2)c([N+](=O)[O-])cc1F 463515843 FZFPTHHBFPWMRE-UHFFFAOYSA-N 430.455 4.347 5 20 IIBD CCSCC[C@@H](C)NC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 464696869 QAVGBIZUHWTPSJ-OAHLLOKOSA-N 429.542 4.153 5 20 IIBD Cc1ccc(-c2csc(NC(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)n2)cc1C 465079224 STVUSFUUXRKMKH-UHFFFAOYSA-N 425.466 4.288 5 20 IIBD CCOc1c(Cl)cc(NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1Cl 466265031 DINZYUFFGSNUBE-UHFFFAOYSA-N 444.296 4.130 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCC2(Cc3ccccc3)CCC2)ccc1[N+](=O)[O-] 466647752 JEVXOHINEUXHQS-QFIPXVFZSA-N 435.524 4.037 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1cc(Br)c(F)cc1F 469505001 NQNDVZJLVOENAH-UHFFFAOYSA-N 438.184 4.201 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] 471528360 SWPIZEYACGQANH-PBHICJAKSA-N 441.488 4.080 5 20 IIBD C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 472504505 SYKORMFSMPZWTL-OALUTQOASA-N 436.556 4.081 5 20 IIBD O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCSC[C@H]1c1cccc(C(F)(F)F)c1 473180003 AKQWRTFQODAZLF-AEFFLSMTSA-N 442.459 4.143 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 475045390 HOXVUKSMFXNVSE-UHFFFAOYSA-N 441.271 4.369 5 20 IIBD Cc1nc(NS(=O)(=O)c2ccc(Br)c(Cl)c2Cl)ccc1[N+](=O)[O-] 476199637 UVVNHVYOVVNLLQ-UHFFFAOYSA-N 441.090 4.168 5 20 IIBD CC(C)c1csc(CNC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 477833731 VKVDZAPTJKTLPP-UHFFFAOYSA-N 431.440 4.105 5 20 IIBD C[C@@H](Sc1nnc(-c2ccco2)n1Cc1ccco1)C(=O)Nc1cccc([N+](=O)[O-])c1 480015770 WBGZEPCNBURTPQ-CYBMUJFWSA-N 439.453 4.207 5 20 IIBD CC(C)COC[C@@H](O)CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 480016374 NMGSNOPSKFHCPQ-INIZCTEOSA-N 438.933 4.163 5 20 IIBD COc1cc(C(=O)Nc2ccccc2NC(=O)Cc2cccs2)cc([N+](=O)[O-])c1C 480166181 GKYMSWBSLWRQFB-UHFFFAOYSA-N 425.466 4.407 5 20 IIBD CCn1c(SC[C@H](O)COc2c(C)cccc2C)nnc1-c1ccc([N+](=O)[O-])cc1 480383969 MBFARVKAZYYGSC-GOSISDBHSA-N 428.514 4.022 5 20 IIBD CCN(CC)C(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)cc1 481916922 FQLXGGSGAAXBBV-UHFFFAOYSA-N 431.514 4.068 5 20 IIBD O=C(Nc1cc2ccc(Br)cn2n1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 482183954 IOSUJLOTDGQTEG-UHFFFAOYSA-N 430.262 4.202 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2nc([C@@H]3C[C@H]4CC[C@H]3C4)cs2)cc1OC 482379757 SVKKOAMGKMMYBT-MELADBBJSA-N 447.513 4.241 5 20 IIBD CCNC(=O)c1ccc(C)c(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1 482909131 UCSRQBKNWJLBGF-IYBDPMFKSA-N 438.528 4.388 5 20 IIBD O=C(Nc1ccc(O)cc1)C1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 485414765 YIOCGXVFLCSITB-UHFFFAOYSA-N 436.443 4.357 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC1(c2ccc(F)cc2F)CCCC1 485451799 CZECDKRAYDYMGE-UHFFFAOYSA-N 431.439 4.057 5 20 IIBD CC[C@H](c1ccccc1)N(CC(=O)OC)C(=O)c1sc(Br)cc1[N+](=O)[O-] 486288591 CCHYDBHLEVENIS-GFCCVEGCSA-N 441.303 4.185 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](COc2ccccc2F)C(C)(C)C)cc1OC 486437070 RUCUNYGUHUKWBR-FQEVSTJZSA-N 434.464 4.365 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3ccc4nnc(C5CCC5)n4c3)cc2[N+](=O)[O-])CC1 493951410 BJSZQDDRIMUYMC-UHFFFAOYSA-N 434.500 4.394 5 20 IIBD CN(CC(C)(C)O)[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 495038916 PANIXJLCUUNQLY-IBGZPJMESA-N 440.525 4.101 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1csc(I)c1 503223486 ZADAQVUZAVIOON-UHFFFAOYSA-N 440.165 4.115 5 20 IIBD Cc1cc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)nn1CCCOc1ccc(F)cc1 504600878 CXAPSVVXWOORHF-UHFFFAOYSA-N 441.463 4.072 5 20 IIBD CCOc1cc(Br)c(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1OCC 508050639 ADVIICLLJUVJFX-UHFFFAOYSA-N 439.262 4.416 5 20 IIBD C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1C 508154384 IPNHGGZEGJLWIB-OAHLLOKOSA-N 441.463 4.050 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 508219996 WRKXOCORWFMHJI-UHFFFAOYSA-N 442.453 4.054 5 20 IIBD COc1cc(/C=C2\CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)ccc1OCC(F)(F)F 508589019 QKFCCFOQKMIGCM-MDWZMJQESA-N 447.369 4.199 5 20 IIBD CCOc1ccc([C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C(C)C)cc1OCC 514844579 TZUOZRJBRACZFH-NRFANRHFSA-N 430.457 4.248 5 20 IIBD COc1cc(Cc2noc(COc3ccc(C(F)(F)F)cc3)n2)c([N+](=O)[O-])c(OC)c1 515034095 MDAZHQXOQIVSRO-UHFFFAOYSA-N 439.346 4.184 5 20 IIBD O=C(Nc1ccccc1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 516786430 CNVLFIXNSWLQID-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD C[C@@H](NC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1)c1cccc([N+](=O)[O-])c1 517809803 VDACPDDJVKAYOY-FZKQIMNGSA-N 434.290 4.201 5 20 IIBD CC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c(C)c1 519994805 UYRUISDJTQBPPA-GFCCVEGCSA-N 439.921 4.194 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1cccc(COCCc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 520487190 LHJISQOWRWAJDW-GOSISDBHSA-N 447.491 4.170 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(Oc2ccc(C)c(C)c2)CC1 532490039 OGNXWBKLIZHGPP-UHFFFAOYSA-N 427.501 4.092 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)Cc1ccc(C)cc1C 534988898 YGKJAXOBUUDXKL-INIZCTEOSA-N 430.526 4.228 5 20 IIBD CC(=O)Nc1ccc(NC(=O)Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)c(C(F)(F)F)c1 537557322 HXZSKAHNRNEYFW-UHFFFAOYSA-N 447.373 4.074 5 20 IIBD C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](C)[C@@H](OC1CCOCC1)c1ccccc1 537946353 AVIAIBGRPAVRPC-QZTZHPFYSA-N 441.528 4.227 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)c1 538413712 DELOHEFLRGTMBU-IBGZPJMESA-N 436.468 4.476 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 538747573 KYQKUUPXHVQBON-GOSISDBHSA-N 426.473 4.073 5 20 IIBD COc1ccccc1COC1CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 539887080 PYVOASMWBBMLKJ-MRXNPFEDSA-N 438.484 4.396 5 20 IIBD CCCCN1C(=O)CC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)[C@H]1c1ccc(OC)cc1 539971674 ILYFXWGAELQLOO-XMSQKQJNSA-N 441.484 4.028 5 20 IIBD CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 541421576 VOLAWBFAQJKUIS-GOSISDBHSA-N 448.976 4.248 5 20 IIBD CCCOc1c(Br)cc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)cc1OC 545076004 QSSIWAROVCICEY-UHFFFAOYSA-N 449.261 4.191 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CCc3c2cccc3C(F)(F)F)cc1[N+](=O)[O-] 546070041 GZSVPYYMMPGKCW-UHFFFAOYSA-N 449.414 4.096 5 20 IIBD Nc1ccc(-c2noc(C3(S(=O)(=O)c4ccc(Cl)cc4)CCCC3)n2)cc1[N+](=O)[O-] 546962697 FJCYXLZEOURWRB-UHFFFAOYSA-N 448.888 4.124 5 20 IIBD Cc1ccc(CNC(=O)c2cccc(CNc3ncnc4sc([N+](=O)[O-])cc34)c2)cc1 553294906 VLMOIWUFIRGWAB-UHFFFAOYSA-N 433.493 4.450 5 20 IIBD Cc1noc([C@@H]2CCCCN2C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)n1 553729974 ZDXGBWIECRLMAU-CLCXKQKWSA-N 427.505 4.136 5 20 IIBD CCOC(=O)c1ccnc(NC2(Cc3ccc(F)cc3Cl)CCOCC2)c1[N+](=O)[O-] 555241113 TUYGBGKRMXPBLW-UHFFFAOYSA-N 437.855 4.163 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C3CCC3)C3CCC3)cc2)cc1[N+](=O)[O-] 557445296 UUSMRGPFBJRPJA-UHFFFAOYSA-N 443.525 4.251 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)C1CCC(F)(F)CC1 564029042 CHCFAZZWABFMGI-UHFFFAOYSA-N 438.212 4.158 5 20 IIBD COc1ccc([C@@H](Cc2ccccc2)NC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1 564498311 NTPYUBJUDBAPHJ-OAQYLSRUSA-N 447.491 4.259 5 20 IIBD Cc1cnn([C@@H]2CCN(Cc3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)C2)c1 566827716 AYACDLNTWMONLT-HSZRJFAPSA-N 428.496 4.399 5 20 IIBD CNC(=O)c1ccc(N2CCc3nc(-c4ccccc4Cl)sc3C2)c([N+](=O)[O-])c1 572317142 OQYNDZFWZFNKNX-UHFFFAOYSA-N 428.901 4.294 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCn2c(cc3c(Cl)cccc32)C1 575983248 VEEKFCPUPKDOPR-ZDUSSCGKSA-N 428.876 4.054 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](c1ccccc1F)C1CCCC1 578790874 INZZMBCKOJVSJV-HXUWFJFHSA-N 447.894 4.094 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)NC[C@H](CO)Cc3ccco3)cc2[N+](=O)[O-])cc1 603551173 FMWPPPVFMTUPDT-MRXNPFEDSA-N 426.494 4.228 5 20 IIBD C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 603637005 QRHAQUKJEVIAEL-SNVBAGLBSA-N 427.240 4.469 5 20 IIBD C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 603873891 NEXNLIGZVBAYPZ-GOSISDBHSA-N 431.496 4.125 5 20 IIBD C[C@@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccc2nc(O)[nH]c2c1 603919177 ZLUSXKRNEZTFJY-CQSZACIVSA-N 431.452 4.280 5 20 IIBD CCOc1cc(NC(=O)c2nnn(-c3cccc(Cl)c3)c2C)c([N+](=O)[O-])cc1OCC 603952942 PTVZTUCCAULTSI-UHFFFAOYSA-N 445.863 4.187 5 20 IIBD C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 604045692 MBLQWJOUXBFVAD-AWEZNQCLSA-N 435.509 4.205 5 20 IIBD COc1ccc(CNC(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)cc1[N+](=O)[O-] 604084469 XWBCVQIZAGJTIE-UHFFFAOYSA-N 434.452 4.486 5 20 IIBD O=c1c(Cl)c(N2CCC(Cc3ccc(F)cc3)CC2)cnn1-c1ccc([N+](=O)[O-])cc1 608831190 NUNUGKNBSRWIFU-UHFFFAOYSA-N 442.878 4.392 5 20 IIBD C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 608878111 NFCYCQKLRHBLGE-KGLIPLIRSA-N 449.429 4.484 5 20 IIBD COc1ccc(CC(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)cc1[N+](=O)[O-] 609009872 JBVPOHBNHJTGSV-UHFFFAOYSA-N 427.360 4.293 5 20 IIBD COc1ccc(CC(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1[N+](=O)[O-] 609011234 JWCCPZHBUDRSNL-MRXNPFEDSA-N 433.464 4.276 5 20 IIBD COC(=O)c1c(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)sc2c1CCC2 609094115 QEROLNIYTSTZPA-UHFFFAOYSA-N 429.479 4.307 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C(C)C)cc2)cc1[N+](=O)[O-] 609767551 BCFHOKSCHRCJQW-FQEVSTJZSA-N 445.541 4.355 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 609806083 ZBEYKXZBDGEJPB-KRWDZBQOSA-N 432.864 4.200 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(Oc2cnccn2)c1 609910781 VBCNRXRFYCBCRK-UHFFFAOYSA-N 447.373 4.038 5 20 IIBD CCOC(=O)[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1F 610088600 VXFJIKXFNSQLHG-APPDUMDISA-N 425.254 4.451 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1ncccc1-c1ccccc1 611292695 COXMGJHQAJZYPQ-UHFFFAOYSA-N 434.271 4.220 5 20 IIBD CO[C@@]1(C(F)(F)F)CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 614898385 XBVPYLGNILXVGT-FQEVSTJZSA-N 437.418 4.390 5 20 IIBD Cc1c(C(=O)N[C@H]2C[C@@H]2c2cccc(Br)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 726520522 ZNOOZFCDUIYPET-CABCVRRESA-N 434.246 4.168 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(CC[C@@H](O)c3ccccc3)cc2)cc1[N+](=O)[O-] 727360319 KZBBQAMOWHAUBE-OAQYLSRUSA-N 442.493 4.070 5 20 IIBD COc1ccc(CC(=O)OCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-] 727666065 QCFXPJOKNQAWCG-UHFFFAOYSA-N 436.420 4.120 5 20 IIBD O=C(OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 727933090 ZSHUUTIEMNLFHE-CABCVRRESA-N 435.263 4.138 5 20 IIBD C[C@H](OC(=O)[C@H]1CCOc2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 728356470 JHNIKXLSDMXUCM-FZMZJTMJSA-N 438.358 4.050 5 20 IIBD O=C(OCc1c(F)cccc1[N+](=O)[O-])C1CCN(C(=O)c2ccc(Cl)s2)CC1 728994757 WHCRBILBFBBCJV-UHFFFAOYSA-N 426.853 4.044 5 20 IIBD COc1ccc(CSCC(=O)OCc2nnc(-c3cccc(Cl)c3)o2)cc1[N+](=O)[O-] 730299828 GTDFQHUGDNVKKP-UHFFFAOYSA-N 449.872 4.283 5 20 IIBD CC1=C(C(=O)Nc2cccc(Cl)c2)[C@@H](c2cc([N+](=O)[O-])c(F)cc2F)NC(=O)N1C 731420613 BZDLLXTZIMUNKG-QGZVFWFLSA-N 436.802 4.135 5 20 IIBD O=C(CCc1ccc(-c2ccccc2)[nH]1)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 735344653 KWZFTGRIPCDTQX-UHFFFAOYSA-N 435.436 4.064 5 20 IIBD CC(C)(C)OC(=O)NC1(c2noc(-c3cc(O)nc4ccc([N+](=O)[O-])cc34)n2)CCCC1 735407454 ITNMVQORVWRXJS-UHFFFAOYSA-N 441.444 4.193 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](COC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 740570228 YBPDSMUKUUYSOX-ZDUSSCGKSA-N 433.486 4.132 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)ccc1[N+](=O)[O-] 744204555 PSDFROGEBRBRAI-UHFFFAOYSA-N 429.429 4.036 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 744556715 CRKINIMKWSWKFL-MRXNPFEDSA-N 447.451 4.424 5 20 IIBD C[C@H](OC(=O)CCOc1cccc([N+](=O)[O-])c1)c1nc(Cc2ccc(Cl)cc2)no1 744730763 HCQXZDRXMNXQKK-ZDUSSCGKSA-N 431.832 4.295 5 20 IIBD C[C@H](Cc1noc(-c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1)N(C)C(=O)OC(C)(C)C 746556978 KAIGKFRSHRCMAF-SNVBAGLBSA-N 430.383 4.462 5 20 IIBD C[C@@H](OC(=O)c1ccc(I)c([N+](=O)[O-])c1)c1ncc(C(C)(C)C)o1 747699033 MMRYLKOFAGDDQK-SECBINFHSA-N 444.225 4.403 5 20 IIBD C[C@H](NC(=O)COC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1Cl 747963790 SOBXWSKNDZZSKD-LBPRGKRZSA-N 445.884 4.406 5 20 IIBD Cc1c(C(=O)NCc2cccc(NC(=O)CC(C)C)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748631253 CAAGZHQKUGHJHF-UHFFFAOYSA-N 428.445 4.034 5 20 IIBD Cc1c(C(=O)O[C@H](C(=O)N(C)C2CCCCC2)C(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748950042 YHEOPEIBXSDEGI-IBGZPJMESA-N 435.477 4.092 5 20 IIBD O=C(NCc1ccc(OC2CCCCC2)nc1)c1cc([N+](=O)[O-])ccc1Br 751126094 GNWBHFVXGAZOTE-UHFFFAOYSA-N 434.290 4.394 5 20 IIBD Cc1cc(C)cc(OCc2noc(COC(=O)CSc3ccc([N+](=O)[O-])cc3)n2)c1 754250203 PEHREHYUVPAFJA-UHFFFAOYSA-N 429.454 4.009 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1cccc2c1OCCO2 755026928 ASOMBTNXQSHADL-OAHLLOKOSA-N 448.273 4.498 5 20 IIBD COc1ccc(CNC(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)cc1[N+](=O)[O-] 755932049 FINGXPQPDXEWOI-LJQANCHMSA-N 441.509 4.110 5 20 IIBD COc1ccc(C(F)(F)C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)cc1 756487557 USYHCABMZRXYRM-UHFFFAOYSA-N 446.410 4.182 5 20 IIBD C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 757194772 DCCZYUJLOVZBEB-ZIAGYGMSSA-N 440.928 4.083 5 20 IIBD COc1cc(Br)c(COC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1OC 758731734 NEUMFUCNKAZMMT-UHFFFAOYSA-N 449.257 4.142 5 20 IIBD CC(=O)Nc1ccc2c(COc3c(C)cc(Br)cc3[N+](=O)[O-])cc(=O)oc2c1 759713524 IEYBXPSXBBPPRC-UHFFFAOYSA-N 447.241 4.310 5 20 IIBD C[C@H](CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1nc(-c2ccccc2)no1 760780611 BCDXQGQDAUWYFS-LLVKDONJSA-N 446.261 4.333 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@@H](C)c2noc(-c3ccccc3)n2)CC1 760834434 QFXZJGDGAXZARK-INIZCTEOSA-N 435.484 4.372 5 20 IIBD C[C@@H]1C[C@H](C(=O)O[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)CCC1=O 761462777 HLRZRGPDLSKMQU-WAWZGNHOSA-N 444.871 4.477 5 20 IIBD O=C(NC[C@@H](O)c1cccc(OCc2ccccc2)c1)c1cc([N+](=O)[O-])ccc1Cl 761596761 APUDCUZDTTVOBB-OAQYLSRUSA-N 426.856 4.291 5 20 IIBD O=C(OCCOc1ccccc1[N+](=O)[O-])c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O 762933868 TXVNAOHJRBFEOC-UHFFFAOYSA-N 446.818 4.273 5 20 IIBD Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 763932246 LBICWWBCEAIDHZ-DNVCBOLYSA-N 442.516 4.057 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F 767666871 YIUKBWGHGTYWEH-ZDUSSCGKSA-N 430.738 4.108 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)cs1 768882794 JPOBAOQSBNDZCY-UHFFFAOYSA-N 425.875 4.085 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 769423615 UXNMYSGJSRFHJN-UONOGXRCSA-N 442.354 4.483 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cc2ccccc2cc1NS(C)(=O)=O 772461760 SOPFVJXNGSDVFA-UHFFFAOYSA-N 447.900 4.045 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])O[C@@H]([C@H]1CCOC1)C(F)(F)F 778033495 YVCBIXZIIJXRJO-SDBXPKJASA-N 433.326 4.216 5 20 IIBD Cc1nc(C(=O)O[C@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)nn1-c1ccccc1C(C)C 778778128 WAKWGFQJNCJMRS-IBGZPJMESA-N 435.484 4.043 5 20 IIBD COc1ccc([C@H](NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)C(F)(F)F)cc1 780302879 ILWGEOBQJBQJRF-AWEZNQCLSA-N 433.180 4.399 5 20 IIBD C[C@@H](OC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F 781572737 UYZURXDIZKKKEO-LLVKDONJSA-N 434.355 4.485 5 20 IIBD COC(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1F 782922556 UFISDUANHULZFL-UHFFFAOYSA-N 438.220 4.020 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 784566874 WINCAYXLNAWDKN-STEAMIEHSA-N 449.573 4.227 5 20 IIBD CCS(=O)(=O)c1ccc(Br)c(C(=O)O[C@H](C)c2ccccc2[N+](=O)[O-])c1 784628093 LVPHBECRTLQYMX-LLVKDONJSA-N 442.287 4.069 5 20 IIBD C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 786024049 NLIMNOBVGUBAPA-SNVBAGLBSA-N 429.782 4.125 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)OCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c1F 787939910 OMMUSTNGMLGSHF-UHFFFAOYSA-N 444.415 4.269 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCC[C@H](O)c1ccc(Cl)c(Cl)c1 790278970 QRLCJWSAEJRXLF-FQEVSTJZSA-N 440.327 4.269 5 20 IIBD C[C@]12CCN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C[C@H]1C2(Cl)Cl 790379025 KRAPFHFFCQYSEU-PWSUYJOCSA-N 434.128 4.106 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 790577562 XJWXQKUGYGRUBZ-LBPRGKRZSA-N 426.275 4.226 5 20 IIBD O=C(COC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccccc1C(F)(F)F 790744683 IJUDSGIJDROORY-UHFFFAOYSA-N 434.729 4.131 5 20 IIBD COc1cccc(SCC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c1 791172797 OSRGIOXGWVZXJM-UHFFFAOYSA-N 437.315 4.043 5 20 IIBD CC(C)c1[nH]nc(C(=O)OCc2ncc(-c3cccc(Br)c3)o2)c1[N+](=O)[O-] 796259890 MJLOAIDBSSZCNT-UHFFFAOYSA-N 435.234 4.216 5 20 IIBD C[C@H](Cc1cncc2ccccc12)C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 805681302 XYWSDAPZSRVVEE-CYBMUJFWSA-N 427.844 4.157 5 20 IIBD CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810398117 GVOBQANTOGASOK-INIZCTEOSA-N 448.317 4.084 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811372957 MDNALYNFJDWIKV-UHFFFAOYSA-N 439.167 4.217 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1OC 811374893 QLEOFLNDZMYTSN-SECBINFHSA-N 443.239 4.103 5 20 IIBD COc1cc(CN2CCN(C(=O)OC(C)(C)C)c3ccccc32)c([N+](=O)[O-])cc1OC 811512857 MEACTSNAVHJUFC-UHFFFAOYSA-N 429.473 4.374 5 20 IIBD CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc([N+](=O)[O-])o2)NC(=O)N1CCc1cccs1 812957766 QSHSPTPOCHZGHN-GOSISDBHSA-N 433.486 4.032 5 20 IIBD CC(C)n1ncc2c(C(=O)O[C@H]3CCN(Cc4cccc([N+](=O)[O-])c4)C3)cc(C3CC3)nc21 813171724 SCHISIVQKXHGHA-IBGZPJMESA-N 449.511 4.229 5 20 IIBD COc1cc(COC(=O)c2ccc3cc(C)ccc3n2)c([N+](=O)[O-])cc1OCC(F)F 815396266 ARVKVZDTGFQVKV-UHFFFAOYSA-N 432.379 4.461 5 20 IIBD O=C(Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2)c1cc(F)c([N+](=O)[O-])cc1F 818880975 FHPKFJRRZATBKU-UHFFFAOYSA-N 437.402 4.257 5 20 IIBD Cc1ccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cc1 819919208 BSBQFEQSQJVRCW-UHFFFAOYSA-N 436.493 4.469 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@H](C)c1ccc(Cl)cc1 857760837 QNSXQZKKDQBLIC-FZKQIMNGSA-N 436.917 4.404 5 20 IIBD CC(C)(C)OC(=O)NCCN1C(=O)c2ccccc2N[C@H]1c1ccc([N+](=O)[O-])cc1Cl 877855888 LUSMWBMAWUVGBP-GOSISDBHSA-N 446.891 4.339 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(C)n1-c1nccs1 914613253 MMLAQYBWELDGNT-LBPRGKRZSA-N 448.888 4.296 5 20 IIBD C[C@@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1nc(-c2cccs2)no1 914617347 UDBJXALDURLENH-CYBMUJFWSA-N 428.470 4.227 5 20 IIBD CN(C(=O)c1ccc([N+](=O)[O-])s1)c1cccc(NC(=O)c2ccc([N+](=O)[O-])s2)c1 917698646 XOAINBRYMMMWNJ-UHFFFAOYSA-N 432.439 4.155 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 919031877 QSXHVNKCWWZFKR-NRFANRHFSA-N 443.459 4.181 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)O[C@@H](C(=O)Nc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 919224919 QHDZUIQCVOPKMX-HXUWFJFHSA-N 435.392 4.348 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[C@@H](C)Cc1ccc(F)cc1 921001478 ZNMJYBKYNDIHAL-HNNXBMFYSA-N 426.448 4.400 5 20 IIBD O=[N+]([O-])c1ccc(-n2ccc(-c3nnc(-c4cc(F)ccc4Br)o3)n2)cc1 1261570563 VQVKBRSNLLDLSN-UHFFFAOYSA-N 430.193 4.399 5 20 IIBD O=C(NC[C@@H](CO)CC1CCOCC1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 1320825234 QEYFDQMMUSXQAU-SFHVURJKSA-N 436.574 4.032 5 20 IIBD CC(C)Oc1c(F)cc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2N)cc1F 1321300050 ZCDNUPCHOCTHCL-UHFFFAOYSA-N 430.205 4.257 5 20 IIBD C[C@H](SCC(=O)Nc1ccc(F)cc1)c1nnc(COc2ccccc2[N+](=O)[O-])o1 1326136493 IAIWNNBTSMLDJM-LBPRGKRZSA-N 432.433 4.129 5 20 IIBD CCN(CC)C(=O)COc1ccc(NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc1Cl 1329819925 GHAAWGUSALANHK-UHFFFAOYSA-N 446.891 4.043 5 20 IIBD O=C(CSc1ncnc2sccc12)OCc1ccc([N+](=O)[O-])cc1Br 1338242833 DKDGQOXLGYTOGM-UHFFFAOYSA-N 440.300 4.198 5 20 IIBD Cc1ncc(C(=O)Nc2ccc(C3(NC(=O)CCc4cccc([N+](=O)[O-])c4)CCC3)cc2)[nH]1 1786501445 VPMUEVRBMUOYHX-UHFFFAOYSA-N 447.495 4.007 5 20 IIBD COc1cc(CC(=O)NC2(c3ccc(NC(=O)C4(C)CC4)cc3)CCC2)ccc1[N+](=O)[O-] 1787601400 IDNNNEFRECYQHS-UHFFFAOYSA-N 437.496 4.080 5 20 IIBD O=C(CCCCn1cccc1)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1 1790185443 DGIXCOVCGBUZPR-UHFFFAOYSA-N 449.511 4.343 5 20 IIBD O=C(c1ccc(Cl)cc1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823615857 YUEFFEBUTMWDQB-SFHVURJKSA-N 445.903 4.388 5 20 IIBD C[C@H](OC(=O)c1ccccc1C(=O)N(C)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 9703128 VEJQHPQMNMAHOP-INIZCTEOSA-N 447.447 4.055 5 20 IIBD O=C(COC(=O)CCSc1ccccc1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 10594298 WBHOUHANSHFERS-UHFFFAOYSA-N 428.388 4.278 5 20 IIBD CC(C)[C@@H](NC(=O)COC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 10723480 BPBPOHVETAPQNN-AREMUKBSSA-N 442.515 4.211 5 20 IIBD COc1ccc2cc(C(=O)O[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c(C)nc2c1 10725957 BNWROJOOKJAIFY-LBPRGKRZSA-N 443.843 4.297 5 20 IIBD COc1ccc(NC(=O)COC(=O)CC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 11398949 KRCHRZNMYBROLE-UHFFFAOYSA-N 434.448 4.307 5 20 IIBD CC(=O)N1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CC1 15091442 CGNMCMJTLIGUTQ-UHFFFAOYSA-N 433.917 4.140 5 20 IIBD Cn1ccnc1[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 16262386 HLRIRUPKFKTPDZ-IBGZPJMESA-N 425.876 4.075 5 20 IIBD CCn1c(SCC(=O)Nc2ccc(OC)c(OC)c2)nc2cc3ccccc3cc2c1=O 22177881 SJMYFPFLXBXSQR-UHFFFAOYSA-N 449.532 4.318 5 20 IIBD CN(C(=O)COC(=O)c1ccc([N+](=O)[O-])s1)[C@H](c1ccccc1)c1ccc(F)cc1 23344237 PBMMDOZROBOYGT-HXUWFJFHSA-N 428.441 4.200 5 20 IIBD O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 31418965 XVUNRNUXQJIMLD-NRFANRHFSA-N 439.903 4.001 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 32442134 BPKYNFBVLIBDRU-MRXNPFEDSA-N 439.493 4.195 5 20 IIBD COCCn1c(S[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nc2cc(Cl)ccc21 32881604 PTOHNSNXVUQJBB-GFCCVEGCSA-N 434.905 4.364 5 20 IIBD CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)n2)cc1 36764964 QZYSHASOUGDOTR-UHFFFAOYSA-N 448.464 4.115 5 20 IIBD CCOC(=O)c1cc(C(=O)N(Cc2ccco2)c2ccc(F)cc2F)cc([N+](=O)[O-])c1 59785262 SMUPXGJTLBOSAS-UHFFFAOYSA-N 430.363 4.490 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)Nc1nc(C)c(C)s1 64860469 LDVJXPIPFKJDRT-UHFFFAOYSA-N 446.510 4.030 5 20 IIBD Cc1nn(C)c(N2CCN(Cc3ccc(-c4ccccc4Cl)s3)CC2)c1[N+](=O)[O-] 71952032 VMARPVIEQVLEKM-UHFFFAOYSA-N 431.949 4.341 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)CC(=O)Nc2ccccc2)c([N+](=O)[O-])c1 106091072 RUJDKXURAIVSTO-HSZRJFAPSA-N 432.480 4.154 5 20 IIBD Cc1c(C(=O)Nc2ccc(CN3CCCC[C@@H]3C)cc2)nnn1-c1cccc([N+](=O)[O-])c1 108289630 SCBCQHHSLJADNB-INIZCTEOSA-N 434.500 4.111 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCO[C@@H](c2ccc(Cl)cc2)C1 108541322 VWWPJRADIDPXGP-HSZRJFAPSA-N 432.907 4.408 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 111039760 GPFZOUUABILUBX-UHFFFAOYSA-N 436.447 4.239 5 20 IIBD CCNC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2 206744414 HCMVOGLRRBFLTE-VKAVYKQESA-N 445.475 4.313 5 20 IIBD COc1ccc(-c2ccc(CNc3cccc(NC(=O)[C@@H](C)OC)c3)o2)c([N+](=O)[O-])c1 237176397 DIOQKRDABBOALE-CQSZACIVSA-N 425.441 4.449 5 20 IIBD Cc1c(C(=O)Nc2ccc(-n3ncc(C(=O)O)c3C(F)(F)F)cc2)cccc1[N+](=O)[O-] 237786638 XCBJTUUQJKCIQX-UHFFFAOYSA-N 434.330 4.058 5 20 IIBD O=c1c(Cl)c(N2CC[C@H](CSc3ccccc3)C2)cnn1-c1ccc([N+](=O)[O-])cc1 301468056 MUFPDBVTSBKGQF-HNNXBMFYSA-N 442.928 4.413 5 20 IIBD COc1cccc(C2(CN[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)CCCC2)c1 303409342 UHCLAQYKNBKRDN-INIZCTEOSA-N 427.501 4.041 5 20 IIBD O=C(Nc1nc(-c2ccc(Br)cc2F)n[nH]1)c1cc2cccc([N+](=O)[O-])c2[nH]1 409544239 QKYQPWCIBSSEJU-UHFFFAOYSA-N 445.208 4.015 5 20 IIBD O=C(NCCSCCCO)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 427082561 SJMMXQAURJATHR-UHFFFAOYSA-N 449.579 4.201 5 20 IIBD O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CC[C@@H](OCc2ccccn2)C1 427159624 HLQIRCDULVXSRK-OAQYLSRUSA-N 433.464 4.000 5 20 IIBD COc1cc(C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)cc([N+](=O)[O-])c1OC 427453632 QQVJEPYNKREHQF-UHFFFAOYSA-N 427.457 4.383 5 20 IIBD COC(=O)c1nc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)sc1C1CC1 429505278 QTGSBFPLBYAKGN-UHFFFAOYSA-N 430.467 4.091 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ncc(-c2ccc(F)cc2)s1 432189090 AZJWNFUYEMSYLS-UHFFFAOYSA-N 442.428 4.184 5 20 IIBD C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 436133225 LZSOMGKNZBKZNJ-SJLPKXTDSA-N 429.495 4.386 5 20 IIBD CN(C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C1CCN(C(=O)c2ccccc2)CC1 436368028 LZDNKOSJJXSGNZ-UHFFFAOYSA-N 439.515 4.058 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccn(C)n1 439908859 DVYNASDTAHPYKV-IBGZPJMESA-N 429.864 4.292 5 20 IIBD O=C(NC1CCN(C2CCCCC2)CC1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444103455 HREMFNXCIHKJFH-UHFFFAOYSA-N 439.506 4.486 5 20 IIBD Cc1coc(-c2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)c2)n1 446988694 ZRGDCDQJSKYXSD-UHFFFAOYSA-N 427.360 4.378 5 20 IIBD COc1cc(C(=O)N2CCCc3n[nH]cc32)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 447573273 RFXBUYNATGKNGS-UHFFFAOYSA-N 428.832 4.365 5 20 IIBD COCCOC[C@H](C)NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 460243284 HBXOKEOUNPZYDM-ZDUSSCGKSA-N 447.538 4.137 5 20 IIBD C[C@@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])Oc1cccc(Cl)c1 460445038 GKZBQZZXKMGEQB-NSHDSACASA-N 432.782 4.387 5 20 IIBD COc1cc(C(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1OCc1cscn1 460577375 SKTOKVRUJACEID-RBSFLKMASA-N 431.514 4.338 5 20 IIBD COc1ccc(-c2nc(C)c(C(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)s2)c(F)c1 461396025 JWCLLDSJMJXZRI-UHFFFAOYSA-N 443.456 4.209 5 20 IIBD C[C@@H]1C[C@@H](c2ccccc2)CN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 461574008 TVPJGOHVDOWHRS-LVCYWYKZSA-N 433.512 4.272 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CC[C@H](n4cc(Cl)cn4)C3)cc2[N+](=O)[O-])n1 461630430 XPCODWUSLNDALL-AWEZNQCLSA-N 449.945 4.448 5 20 IIBD O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@@H](n2cc(Cl)cn2)C1 461636156 IFQARECBJSWJAY-GOSISDBHSA-N 425.876 4.144 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[C@H](c4cc(C(F)(F)F)n[nH]4)C3)o2)c1 461939860 YUMCXOIDRKDAPY-AWEZNQCLSA-N 435.406 4.414 5 20 IIBD Cc1ccccc1CN(Cc1cccnc1)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 463670255 QDWFVSJYNIMXSW-UHFFFAOYSA-N 448.504 4.238 5 20 IIBD CS(=O)(=O)c1cccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2)c1 464369571 SDBQJBWQSQWOCK-FQEVSTJZSA-N 444.896 4.171 5 20 IIBD CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1 465252851 DSXHEZXETSPDEM-UHFFFAOYSA-N 432.479 4.495 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N[C@H](c1cccc(F)c1)C1CCCC1 465279388 YRJFZUCGOXSMOQ-FQEVSTJZSA-N 433.867 4.165 5 20 IIBD C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1cc2cc(Br)ccc2[nH]1 468043478 WGZCJWKWNISIEI-GFCCVEGCSA-N 431.290 4.346 5 20 IIBD CC(C)(C)[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c2ccccc21 470300647 YZDQPIZATPDNNW-DOTOQJQBSA-N 427.526 4.437 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC(Nc2cccc(Br)c2)CC1 470630957 DOBLTRCTCPEEHM-UHFFFAOYSA-N 447.333 4.186 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1I 472881308 LJDAWFYWCZLPJR-UHFFFAOYSA-N 430.629 4.424 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCc2c(cnn2-c2ccccc2)C1 475207683 NKQWPWDKFUNJQE-UHFFFAOYSA-N 431.374 4.390 5 20 IIBD CCOc1ccc(C2(CNC(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)CCOCC2)cc1 475568691 OPZMTDGXJMFYBU-UHFFFAOYSA-N 427.501 4.480 5 20 IIBD CC[C@@H](C)n1ncc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1C1CC1 477565791 DMPZHCPETXGYNR-QRWLVFNGSA-N 439.516 4.191 5 20 IIBD COc1cc(C(=O)Nc2cccc3c2CN(CC(C)C)C3)c([N+](=O)[O-])cc1OC(F)F 477880102 PLXDNPXANMERRF-UHFFFAOYSA-N 435.427 4.429 5 20 IIBD COc1cc(C)c([C@H](C)NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1OC 478374673 UBRXBKZSHZKBSC-NSHDSACASA-N 440.399 4.021 5 20 IIBD O=C(NCCc1cccc(OCC(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1OC(F)F 478525111 ZQKYEDJZALOMNG-UHFFFAOYSA-N 434.317 4.110 5 20 IIBD CCOc1cc(OCC(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)ccc1[N+](=O)[O-] 478733955 SJVWYAPECCBUNP-GFCCVEGCSA-N 428.363 4.148 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 481620980 JNJPMYAECVBGIF-ADLMAVQZSA-N 442.274 4.441 5 20 IIBD COc1cc(CN[C@H](C)c2nc(C(C)(C)C)no2)c([N+](=O)[O-])cc1OCC(F)(F)F 483641187 SUOQDKJCRBILBI-SNVBAGLBSA-N 432.399 4.076 5 20 IIBD C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc2ncsc2c1 485821812 NNBYVSJOZVVSSI-SNVBAGLBSA-N 435.303 4.256 5 20 IIBD COC(=O)c1c(Br)ccc(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])c1C 486325836 SQIBAAFNSRLOKV-UHFFFAOYSA-N 439.287 4.427 5 20 IIBD O=C(COc1ccc(-c2ccccc2)cc1Cl)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 487052751 JYOPZGGRLYUPLX-UHFFFAOYSA-N 440.887 4.354 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(n2cc(Br)cn2)CC1 487474825 HVPYFYBHXXXWMC-UHFFFAOYSA-N 439.335 4.143 5 20 IIBD CCc1ccc(-c2nc(CC(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)cs2)cc1 487836013 DOUGQLRISATWKT-UHFFFAOYSA-N 436.537 4.172 5 20 IIBD Cc1ccc([C@H](C)NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] 487985362 DKLRPJWRCFAHRG-YJBOKZPZSA-N 429.904 4.286 5 20 IIBD Cc1cc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCCCO2)ccc1[N+](=O)[O-] 488432041 OSQKADYVQKVOPR-INIZCTEOSA-N 440.905 4.305 5 20 IIBD CC[C@@H](C)c1nc([C@H](C)NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)n[nH]1 489197914 XUTVUJCXPCTBAZ-MNOVXSKESA-N 425.439 4.082 5 20 IIBD Cn1nc(NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1OC(F)F 494436756 LYSWHMSMYICHQT-UHFFFAOYSA-N 440.410 4.395 5 20 IIBD CCOc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1[N+](=O)[O-] 499832771 WBZVMEAWBZRFEX-UHFFFAOYSA-N 439.390 4.101 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N(Cc1ccc(F)cc1Cl)CC1CC1 503527649 MIINFSXGVINICU-UHFFFAOYSA-N 431.855 4.385 5 20 IIBD C[C@H]1CN(Cc2ccccc2CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)O1 506007336 IZLKUSXKQQGICE-GASCZTMLSA-N 432.908 4.179 5 20 IIBD NC(=O)c1ccc(SCC(=O)NCC2(c3cccc(Cl)c3)CCCC2)c([N+](=O)[O-])c1 507894177 OCDKQSWMILETPW-UHFFFAOYSA-N 447.944 4.067 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Oc2cccnc2)c([N+](=O)[O-])c1 511207189 RXIIWCMIMQKJQN-UHFFFAOYSA-N 435.845 4.245 5 20 IIBD O=C(N[C@@H](C[C@@H]1CCOC1)c1ccccc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 511398319 MILAROPYAFQHTC-MBSDFSHPSA-N 439.512 4.316 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)N2CCCc3cccc(OC(F)F)c32)cc1[N+](=O)[O-] 511681939 NDRTXKYHBTZFEN-UHFFFAOYSA-N 432.832 4.300 5 20 IIBD COc1cc(C(=O)N[C@@H](C)C2=CCN(C)CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 512134859 ZDHLJEIQKHITCG-AWEZNQCLSA-N 445.903 4.429 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)N2CCCCC[C@@H]2/C=C/c2ccccc2)cc1[N+](=O)[O-] 513838577 UEPIFRQYDNNOQF-XSSIKURBSA-N 428.510 4.097 5 20 IIBD Cc1cccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)n2C)c1 514175722 DLNHQXMOLGHWLH-LBPRGKRZSA-N 431.905 4.471 5 20 IIBD CCNC(=O)Nc1cccc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 520860026 NTPCBJTYTABMMY-UHFFFAOYSA-N 439.394 4.196 5 20 IIBD Cc1ccc([C@H](CN2CCOCC2)NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 522196935 XIDVUVFNKNCGAW-QFIPXVFZSA-N 438.553 4.190 5 20 IIBD Cc1c(CS(C)(=O)=O)cccc1NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 522579679 ACLLIBYJPRNCDO-UHFFFAOYSA-N 440.477 4.492 5 20 IIBD Cn1cc(C(=O)NCc2ccc(OC3CCCCC3)nc2)c(-c2ccc([N+](=O)[O-])cc2)n1 523364728 WWLJNPYUGOICSG-UHFFFAOYSA-N 435.484 4.032 5 20 IIBD COC(=O)c1cc(NC(=O)c2cccnc2SCc2ccc(F)cc2)cc([N+](=O)[O-])c1 524042465 OXGBPHPTRVJHLS-UHFFFAOYSA-N 441.440 4.460 5 20 IIBD COc1ccc(C[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])c2ccccc2)cc1OC 524170182 XEYZPEWMIVOKJO-FQEVSTJZSA-N 435.480 4.395 5 20 IIBD COc1cc(C(=O)N[C@@H](C)Cc2nc3ccccc3s2)c([N+](=O)[O-])cc1OC(F)F 531929526 RXKOYUGDUWRVGW-JTQLQIEISA-N 437.424 4.176 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)c1ccccc1F 535670745 KHDXGGRJWXLXJA-UHFFFAOYSA-N 434.489 4.097 5 20 IIBD COC(=O)c1cc(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)cc([N+](=O)[O-])c1 536395604 TXTKIEJEWCKLQY-HNNXBMFYSA-N 432.432 4.355 5 20 IIBD COCCOC1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 536673425 SDDSSJLZXNZXGF-UHFFFAOYSA-N 436.512 4.075 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CC[C@@H](CN3CCCC3)C2)cc1 537616749 XSCWOORCKXCUNY-FQEVSTJZSA-N 431.540 4.365 5 20 IIBD C[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccccc2)c1 539230199 UGQZEWYOIGDVPU-KRWDZBQOSA-N 432.480 4.161 5 20 IIBD O=C(Cc1ccc(Cl)c(Cl)c1)NCCCNc1ncnc2ccc([N+](=O)[O-])cc12 539931380 KUSWETNKJGOYKI-UHFFFAOYSA-N 434.283 4.006 5 20 IIBD COc1ccc(Cl)cc1NC(=O)CCNc1ncc([N+](=O)[O-])c(C)c1Br 541579226 ZIRMCRSTZMWFNU-UHFFFAOYSA-N 443.685 4.163 5 20 IIBD C[C@H](NC(=O)NC(C)(C)COc1ccc(C(F)(F)F)cn1)c1cccc([N+](=O)[O-])c1 541781872 BHZNZZCPNQDFGU-LBPRGKRZSA-N 426.395 4.226 5 20 IIBD COC(=O)c1sc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)nc1C1CCCC1 542577103 BEENMFQSBDOWRT-UHFFFAOYSA-N 444.513 4.348 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1OCc1ccncc1 543472025 AAKBDQLEWFMEJF-AWEZNQCLSA-N 425.416 4.459 5 20 IIBD Cc1ccc(S(=O)(=O)C2(c3nc(Cc4ccccc4[N+](=O)[O-])no3)CCCC2)cc1 545534146 HDVFKHOUTYTYSM-UHFFFAOYSA-N 427.482 4.120 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 550590343 MMOPSIFQLSVUEZ-CQSZACIVSA-N 446.301 4.157 5 20 IIBD COc1cc(OCC(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)ccc1[N+](=O)[O-] 551679898 DOXCNPDXHZGAAE-UHFFFAOYSA-N 433.873 4.076 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 552269293 USOAMFQQYPNQBG-UHFFFAOYSA-N 435.402 4.055 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCCO1 559209488 LKVCBDXANXZTPR-HXUWFJFHSA-N 439.491 4.122 5 20 IIBD COc1cc(CNc2ccc(CC(=O)N3CCCc4ccccc43)cc2)c([N+](=O)[O-])cc1O 560695017 YMIMJLRLVZUPJK-UHFFFAOYSA-N 447.491 4.443 5 20 IIBD C[C@@H](NC(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1Cl 561514990 UOAFKIOMIZPXHN-CYBMUJFWSA-N 438.311 4.218 5 20 IIBD CC1(C)C[C@@H](NCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)c2cc([N+](=O)[O-])ccc21 564133690 WCXADVPDBFTHBD-OAQYLSRUSA-N 448.523 4.476 5 20 IIBD C[C@@H](C(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1cccc([N+](=O)[O-])c1 566655901 LBMQGZNAWJDXTP-MRXNPFEDSA-N 435.446 4.452 5 20 IIBD Cc1ccc(CN2CC[C@H](CN(C)CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)s1 567428793 QYNPMDDCLBOPSX-OAHLLOKOSA-N 436.965 4.011 5 20 IIBD CCOc1c(Cl)cccc1Cc1nc(Cc2cc(OC)cc(OC)c2[N+](=O)[O-])no1 570127398 OQYYNMKXYMPZJF-UHFFFAOYSA-N 433.848 4.229 5 20 IIBD COc1cc2c(cc1Cl)CN(C(=O)Cn1c3ccccc3c(=O)c3ccccc31)CC2 571119618 WQKYGUJPBQNYMV-UHFFFAOYSA-N 432.907 4.402 5 20 IIBD COc1cc(C(=O)N2CCCn3c(cc4ccccc43)C2)c([N+](=O)[O-])cc1OC(F)F 574672926 TZACXZLVMROMAW-UHFFFAOYSA-N 431.395 4.206 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3ccc(F)cc3Cl)n2)cc1[N+](=O)[O-] 574831427 QNSPSBXYSUWBFX-UHFFFAOYSA-N 449.847 4.105 5 20 IIBD CS(=O)(=O)c1ccc(N2CCc3nc(-c4ccccc4Cl)sc3C2)c([N+](=O)[O-])c1 577241764 BBNSANIWWKTWSI-UHFFFAOYSA-N 449.941 4.338 5 20 IIBD COc1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2Cl)c2nccs2)cc1 580912310 KDSILGUUOYKLSR-UHFFFAOYSA-N 439.902 4.109 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CC(C)(C)[C@H]2CCC[C@@H]21 581904584 RZUCOKUSBXDWAM-ZFWWWQNUSA-N 428.270 4.159 5 20 IIBD Cc1ccc(NCCCNC(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)c([N+](=O)[O-])c1 582552804 OVNCJKLMOQHXTF-UHFFFAOYSA-N 445.907 4.073 5 20 IIBD COC(=O)C[C@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1cccs1 591750341 NGIJKJHGQHVWRV-SFHVURJKSA-N 439.493 4.303 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NC[C@@H](C)CN3CCCC3)c([N+](=O)[O-])c2)c(C)c1 603869711 AWMINLQLSOSKMP-QGZVFWFLSA-N 446.573 4.156 5 20 IIBD Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] 603927161 SSXGWDMYRLFJLQ-UHFFFAOYSA-N 443.301 4.432 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 604433633 DORMTCKSRRNRIF-UHFFFAOYSA-N 438.889 4.110 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1 608877794 WVTSHEMFXIDQCM-DJJJIMSYSA-N 443.912 4.334 5 20 IIBD CN(C(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cc1)C1CCCCC1 608941009 OHPPBOZGJDZLNN-UHFFFAOYSA-N 439.468 4.023 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)cc1[N+](=O)[O-] 609705929 WAAPXXYNXSYLSX-LJAQVGFWSA-N 444.534 4.153 5 20 IIBD Cc1cccc(C)c1NC(=O)[C@@H](C)SCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 609770665 HPUMFNLQMHIZJZ-OAHLLOKOSA-N 429.498 4.270 5 20 IIBD O=C(Cc1csc(COc2ccc(Cl)cc2)n1)N1CCc2c1cccc2[N+](=O)[O-] 609974113 GUOZBMZGTDVHOW-UHFFFAOYSA-N 429.885 4.416 5 20 IIBD CCOC(=O)Cc1cccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 609983807 WXNRPOAZCUVVLJ-UHFFFAOYSA-N 442.415 4.450 5 20 IIBD CN(CC(=O)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1ccccc1[N+](=O)[O-] 610387665 XIYWAVWASLSEJC-UHFFFAOYSA-N 436.390 4.037 5 20 IIBD Cc1c(CC(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)cccc1[N+](=O)[O-] 610968552 UPVZHLUCQPQJOG-UHFFFAOYSA-N 428.286 4.274 5 20 IIBD Cc1cnc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c(Br)c1 611094482 MAAHINCXJNMOQR-UHFFFAOYSA-N 429.068 4.384 5 20 IIBD O=C(Nc1cccc(-c2n[nH]c3c2CCCC3)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 611213449 FDWJUWJNBVNNTI-UHFFFAOYSA-N 428.452 4.302 5 20 IIBD CC(C)(C)OC(=O)c1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)c1 611426765 JMPBLEKBUQABMM-UHFFFAOYSA-N 435.274 4.243 5 20 IIBD COc1ccc2c(c1)CC[C@@H](NCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-])C2 612194058 RNRPPSBGNKUESE-MRXNPFEDSA-N 440.418 4.200 5 20 IIBD CN(CCCNC(=S)/C(=C(/O)c1cccc([N+](=O)[O-])c1)[n+]1ccccc1)c1ccccc1 726571382 GBXIEFUMKDKTNM-UHFFFAOYSA-O 449.556 4.210 5 20 IIBD Cc1ccc(-c2nc(COC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)co2)cc1 726676183 OUBUBFWIBVMFSW-NRFANRHFSA-N 449.463 4.215 5 20 IIBD CC1CCN(c2ccc(C(=O)O[C@H](C)C(=O)Nc3cc(F)ccc3F)cc2[N+](=O)[O-])CC1 728947972 IBGRXJDTFREFAW-CQSZACIVSA-N 447.438 4.293 5 20 IIBD CCN(C)C(=O)c1cccc(C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 729168221 SWJQEZUNHDXBFN-UHFFFAOYSA-N 447.447 4.158 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cc1)c1cccs1 731893085 DZOKGIVVLOOGDQ-UHFFFAOYSA-N 435.417 4.382 5 20 IIBD Cc1nc2c(s1)[C@H](OC(=O)c1ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc1)CCC2 733066519 FUHIUQYHYIKIFR-GOSISDBHSA-N 426.498 4.456 5 20 IIBD C[C@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)N1C(=O)OC(C)(C)C 733116922 JKZDAHGTXFQCAJ-KBPBESRZSA-N 446.529 4.188 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](OC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)c1ccccc1 733836746 PAOBOHWEAKTJNR-RGCFKVTRSA-N 430.844 4.039 5 20 IIBD COC(=O)NCc1ccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc1 735258846 VFZRETSGYSQHGZ-HOTGVXAUSA-N 440.500 4.185 5 20 IIBD O=C(NC[C@H](O)COc1cccc(F)c1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 735368799 RARKIKITNGXLSD-SFHVURJKSA-N 441.415 4.088 5 20 IIBD O=C(COC(=O)c1ccccc1Oc1ccccn1)Nc1ccc([N+](=O)[O-])cc1Cl 741000493 FWNKBYIRKREBOD-UHFFFAOYSA-N 427.800 4.231 5 20 IIBD Cc1cc(CNC(=O)OC(C)(C)C)ccc1N(C(=O)c1ccc([N+](=O)[O-])n1C)C1CC1 741953358 SOQCVIFFIXNMGR-UHFFFAOYSA-N 428.489 4.076 5 20 IIBD COc1cc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc(OC)c1OC(F)F 742502847 KHXGZXDZIVANAL-UHFFFAOYSA-N 430.791 4.139 5 20 IIBD CCC[C@@H](C)NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(C)cs1 744500604 QOHDWBYEOKBXGM-YPMHNXCESA-N 437.543 4.361 5 20 IIBD Cc1c(C(=O)O[C@H](C)c2nc(Cc3ccccc3)no2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 744897722 DIARGQMKPQIVEC-CYBMUJFWSA-N 426.385 4.012 5 20 IIBD COc1ccccc1-c1c[nH]cc1C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 744921790 LUXWWFLLKWNZFQ-GFCCVEGCSA-N 443.843 4.436 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)[C@@](C)(O)Cc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 745145144 IDPKSMPSKHZNRE-DHLKQENFSA-N 448.475 4.120 5 20 IIBD COC(=O)c1ccc([C@H](OC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C(F)(F)F)cc1 747214109 DAYUTDPUNQZVTP-SFHVURJKSA-N 436.342 4.183 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 748997071 CLECXRHPSBYRFZ-UHFFFAOYSA-N 436.921 4.132 5 20 IIBD CC[C@@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccccc1OCC(=O)N1CCCC1 750180093 RYXYQPOIKQVGJL-GOSISDBHSA-N 445.903 4.131 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 750796772 YBBMQEAQCHMFEF-CQSZACIVSA-N 446.529 4.095 5 20 IIBD C[C@]1(c2ccccc2)CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)CCO1 750903910 AQGWUYABOQNRMA-GOSISDBHSA-N 439.693 4.399 5 20 IIBD C[C@@H](OC(=O)c1ccc(CN2CCCC2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 755430920 OMDRTOZQDGYAKG-CQSZACIVSA-N 431.876 4.028 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)NCCc1ccc(NC(=O)OC(C)(C)C)cc1 755745532 BAMFBCMWYNOLPJ-UHFFFAOYSA-N 430.461 4.315 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)NCc2ccc(C3CCC3)cc2)cc1[N+](=O)[O-] 756265867 QVSQEGDUSDTRNJ-UHFFFAOYSA-N 446.301 4.188 5 20 IIBD C[C@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 757194771 DCCZYUJLOVZBEB-UONOGXRCSA-N 440.928 4.083 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 758738786 SGVOKXDTYVACMP-GFCCVEGCSA-N 445.859 4.159 5 20 IIBD COc1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2-c2cccs2)ccc1[N+](=O)[O-] 759248887 BBPIZJPDKORCLW-UHFFFAOYSA-N 436.423 4.008 5 20 IIBD COCc1nc(COC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)no1 759477844 RDKUUGNPMAKGGC-UHFFFAOYSA-N 435.845 4.286 5 20 IIBD CC(C)c1cc(Br)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 760269348 QBIMCXULBXBKPL-UHFFFAOYSA-N 444.263 4.190 5 20 IIBD O=C(CCCc1nnc(-c2ccccc2)o1)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760489758 DZFYZORSSYXKQS-UHFFFAOYSA-N 434.408 4.366 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(Cc2noc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1 762283692 JJAKYLBYEKUILJ-UHFFFAOYSA-N 441.400 4.491 5 20 IIBD CC[C@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC[C@H]1NC(=O)OC(C)(C)C 762625593 JQJAOVZCMSIQKG-KBXCAEBGSA-N 437.512 4.163 5 20 IIBD Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)sc1-c1ccccc1 766495076 KNDUSMKBVBYGQK-UHFFFAOYSA-N 426.479 4.376 5 20 IIBD Cc1sc(S(=O)(=O)Nc2cccc(CC[C@@H](O)c3ccccc3)c2)cc1[N+](=O)[O-] 767456590 JBDKSRGDAZSINB-LJQANCHMSA-N 432.523 4.432 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H](O)c2ccc(-c3ccccc3)cc2)cc1OC 768554502 QVTYIDMHCCJPPA-NRFANRHFSA-N 436.464 4.133 5 20 IIBD O=C(COC(=O)c1ccc(Br)cc1Br)c1ccc([N+](=O)[O-])cc1 768639309 HIGXMLRIRXSBFX-UHFFFAOYSA-N 443.047 4.160 5 20 IIBD COc1cccc(C(=O)O[C@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)c1[N+](=O)[O-] 769603721 JEWRTPOFGLTSFA-KRWDZBQOSA-N 440.374 4.442 5 20 IIBD CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 769624443 RKJJRVPFABXTFR-UHFFFAOYSA-N 431.452 4.149 5 20 IIBD COc1ncc(/C=C\C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2OCc2ccccc2)cn1 776307595 YLJGKMPMXFCTAS-FPLPWBNLSA-N 440.843 4.278 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnn(Cc3nnc(-c4ccc(Br)s4)o3)c2)c1 777940868 URULJVLSNPOCDV-UHFFFAOYSA-N 432.259 4.381 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)c1ccccc1C(=O)c1cccs1 778809814 KAQAHCPRAKSKEV-OAHLLOKOSA-N 440.452 4.462 5 20 IIBD Nc1ccc(NS(=O)(=O)c2ccc(Br)c(Cl)c2Cl)cc1[N+](=O)[O-] 780370294 NRVWBSHLHHFBBH-UHFFFAOYSA-N 441.090 4.047 5 20 IIBD C[C@H](OC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C(=O)NCC1CCCCC1 781257223 QQHRIVAFHSXRGL-ZDUSSCGKSA-N 442.462 4.201 5 20 IIBD C[C@@]1(C(=O)O[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)CCCOC1 781294831 XCSOJGFNKBCFKO-WIYYLYMNSA-N 432.860 4.288 5 20 IIBD Cc1cc(C)cc(OCc2noc(COC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)n2)c1 785953927 OCIPLQVCAOGIMH-UHFFFAOYSA-N 431.832 4.113 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCc1ccc(COCC(F)(F)F)cc1 790495788 BDRAWWMGEZXDMZ-UHFFFAOYSA-N 434.773 4.325 5 20 IIBD CC(C)N(Cc1nc(O)c2ccccc2n1)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790634324 JPAKWEQREBTWRA-UHFFFAOYSA-N 432.839 4.016 5 20 IIBD CCOC(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2Br)c(F)cc1C 791316905 AINNQIAWQDPOKD-UHFFFAOYSA-N 425.210 4.234 5 20 IIBD O=C(N[C@@H]1CCCc2ccc(F)cc21)c1cc([N+](=O)[O-])ccc1I 794059518 WEFCNXUYJZFSJB-MRXNPFEDSA-N 440.212 4.146 5 20 IIBD CS(=O)(=O)C1(COC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC1 799704511 YHWIQXFUIFACOE-UHFFFAOYSA-N 441.914 4.133 5 20 IIBD Cc1ccc(Cn2nc(C)c(C(=O)N(C)CCc3cccc([N+](=O)[O-])c3)c2Cl)cc1 801090700 CNIAXPVSXZMFPZ-UHFFFAOYSA-N 426.904 4.425 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](c2nc3ccccc3o2)C1 802422077 JWZISEMNFFJDFP-KRWDZBQOSA-N 448.483 4.025 5 20 IIBD Cc1c(C(=O)NC[C@@H](OCC2CC2)c2ccc(Cl)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 804126262 FFSKKTAVASLNMZ-LJQANCHMSA-N 433.848 4.363 5 20 IIBD CN(Cc1cccc(Br)c1OC[C@@H]1CCCO1)c1ccc(N)cc1[N+](=O)[O-] 804644546 HEBPCELYUNGQTO-HNNXBMFYSA-N 436.306 4.134 5 20 IIBD CN([C@H](c1ccccc1)C(F)(F)F)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F 809814947 ICUPTARKUNWGLG-CQSZACIVSA-N 426.775 4.311 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)NC2(c3ccc(F)cc3)CCOCC2)c(Cl)cc1Cl 809818933 RWAHJMNDYDMELL-UHFFFAOYSA-N 449.287 4.025 5 20 IIBD CC[C@H]1[C@H](c2nc(CCNc3ccccc3[N+](=O)[O-])no2)CCN1C(=O)OC(C)(C)C 810289367 UYOXXUSQNHELKR-ZBFHGGJFSA-N 431.493 4.135 5 20 IIBD C[C@@H](Cc1cnc2ccccc2n1)C(=O)O[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 816038104 JWBOUWNTNDSEOW-MAUKXSAKSA-N 438.459 4.068 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC[C@@H]21 817001955 HJFRGCSIBVHDFK-ABAIWWIYSA-N 444.315 4.373 5 20 IIBD COc1ccc(CNc2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])cc1F 914785514 DIGIMUGWYFJTHV-UHFFFAOYSA-N 430.186 4.034 5 20 IIBD CC(C)n1ncc2c(C(=O)OCc3nc(-c4cccc([N+](=O)[O-])c4)no3)cc(C3CC3)nc21 914798531 PHHKUPZXOBAUSV-UHFFFAOYSA-N 448.439 4.205 5 20 IIBD O=[N+]([O-])c1nn(CN2CCC[C@@H]2c2ccc(Br)cc2)cc1Br 917616808 RYUBZAJVWBWCLI-CYBMUJFWSA-N 430.100 4.111 5 20 IIBD CCN(CC)C1CCN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CC1 1116100178 GFXWGDCHKFTECJ-UHFFFAOYSA-N 440.331 4.034 5 20 IIBD CC(C)(C)OC(=O)NCCCc1nnc(-c2cc([N+](=O)[O-])ccc2N2CCCCC2)o1 1257937960 UQGXJDHMOMTIJM-UHFFFAOYSA-N 431.493 4.092 5 20 IIBD C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC([C@H]2C(=O)Nc3ccccc32)CC1 1322782241 XAASWYFVWFBDEJ-RNODOKPDSA-N 442.903 4.023 5 20 IIBD O=C(OCc1ccccc1)c1ccc(CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc1 1327600569 ITUOBFUSCNMKMJ-UHFFFAOYSA-N 431.448 4.177 5 20 IIBD Cc1cccc(CN2CCCC[C@H]2C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 1329253765 SWZKQXBRFXPSTN-FQEVSTJZSA-N 436.468 4.051 5 20 IIBD COc1ccc([N+](=O)[O-])cc1-c1nc([C@@H](NC(=O)OC(C)(C)C)c2ccccc2)no1 1333200868 HWPUHTMJUFDWDC-KRWDZBQOSA-N 426.429 4.268 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 1338290927 VPKXSNCGLNBVPK-XOBRGWDASA-N 425.510 4.050 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cccc(Cl)c1 1339120094 YCXYOFZJTNHBHJ-CQSZACIVSA-N 441.665 4.045 5 20 IIBD CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1)N(CC)CC 1786447987 UWPYPZFQZIJSFX-SFHVURJKSA-N 442.516 4.056 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3cccc(F)c3[N+](=O)[O-])CCC2)cc1)c1cccnc1 1787305848 SDTCKZJVQNBOQM-UHFFFAOYSA-N 434.427 4.190 5 20 IIBD CCCC(=O)Nc1ccc(C2(NC(=O)Cc3ccc([N+](=O)[O-])c(OC)c3)CCC2)cc1 1787697226 KYFXECQSTVGQTO-UHFFFAOYSA-N 425.485 4.080 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3cccc4ccoc34)cc2)CCC1)c1n[nH]cc1[N+](=O)[O-] 1790956684 GSZUYVMBHBNJGZ-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD Cc1cccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C3)c1 1793967362 COFIURGQHHJVOB-NUNAXRQHSA-N 449.551 4.107 5 20 IIBD Cc1ccc([C@H](C)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1 1804344496 ASRZAGOFPISROJ-JGJBVQGFSA-N 447.535 4.358 5 20 IIBD CCCC(=O)N1CCCC2(CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC2)C1 1809120674 NYDWLUBQWXFHOU-UHFFFAOYSA-N 429.542 4.454 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)CCC2CCC2)[nH]n1)c1cccc(F)c1[N+](=O)[O-] 1821167199 FAIYLIJCTRQMLT-GOSISDBHSA-N 443.479 4.343 5 20 IIBD Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1S(=O)(=O)N1CCCCCC1 15313000 LZJBSFXWDKFZFJ-UHFFFAOYSA-N 431.514 4.029 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCc1cc(-c2ccco2)on1 18968931 UCQCSUUGNADKLP-UHFFFAOYSA-N 425.319 4.407 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1ccc(SC)cc1 27159824 OYDRYRPYWSRNHO-IFXJQAMLSA-N 447.582 4.046 5 20 IIBD COc1cc(C(=O)NCCSCc2ccc(C)cc2)c([N+](=O)[O-])cc1OC(F)F 28667790 ILUOQYNLIBIPDY-UHFFFAOYSA-N 426.441 4.176 5 20 IIBD C[C@@H](OC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C(=O)N(C)Cc1ccccc1 28699447 BTFZKUDWGKPQKD-GOSISDBHSA-N 447.491 4.411 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)cn2)cc1C 58512394 NAEAXZVGCKGSRK-UHFFFAOYSA-N 441.465 4.055 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)c1cc(SC)ccc1[N+](=O)[O-])N1CCCCC1 108325167 PYAXLYCYYZMBRP-HXUWFJFHSA-N 429.542 4.282 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)ccc1[N+](=O)[O-] 110321501 PFZLDJJYSSOTEH-OAQYLSRUSA-N 448.479 4.418 5 20 IIBD CCc1cccc2c(C3CCN(C(=O)COc4ccc([N+](=O)[O-])c(OC)c4)CC3)c[nH]c12 195705973 MMINFVPEFSZHOB-UHFFFAOYSA-N 437.496 4.432 5 20 IIBD Cc1nc(CN2CCC(CNCc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)oc1C 237650520 XYLKDKCMYDWCSN-UHFFFAOYSA-N 441.557 4.325 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1 301103796 RILHHSXCODQCGD-UHFFFAOYSA-N 430.386 4.124 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)c([N+](=O)[O-])c1 301122099 ZZMKOWVENYDXQH-UHFFFAOYSA-N 443.460 4.088 5 20 IIBD Cc1cc(Sc2nnc(N3C[C@H](C)C[C@@H](C)C3)n2Cc2ccco2)ncc1[N+](=O)[O-] 301444485 QJKCHUQSHZLXPY-ZIAGYGMSSA-N 428.518 4.165 5 20 IIBD Cc1nc([C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c2ccccc2F)no1 303583265 POKZUXQNSDWVPN-QGZVFWFLSA-N 439.428 4.068 5 20 IIBD O=C(Nc1ccc(COCc2ccccc2)cc1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 303879463 JBJAQURSEYLGAE-UHFFFAOYSA-N 429.436 4.145 5 20 IIBD CCS(=O)(=O)c1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c1 410225876 WPNODLUEFZPNIZ-UHFFFAOYSA-N 440.477 4.111 5 20 IIBD COc1cc(Cl)c(CN[C@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)O)cc1Cl 426735703 UTNCPTGDIXLTOZ-QGZVFWFLSA-N 438.267 4.177 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 426932641 IAWKOQAMERLLMH-UHFFFAOYSA-N 438.402 4.100 5 20 IIBD CN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H](c1ccc(Cl)cc1)c1cnccn1 428936043 ZEQAGAYXHJIZCY-HXUWFJFHSA-N 425.876 4.012 5 20 IIBD Cc1cccc(NC(=O)CN(C)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1C 429091417 PHFZQAJSBMFRFS-UHFFFAOYSA-N 438.406 4.011 5 20 IIBD CCC[C@@H](NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)C(=O)N1CCc2sccc2C1 429561161 UCXMASOHWGQULX-MRXNPFEDSA-N 430.530 4.148 5 20 IIBD Cc1c(NC(=O)C(=O)N(Cc2ccccc2)CC(C)C)cc(Br)cc1[N+](=O)[O-] 430323422 FLOOGPNVJXZMOU-UHFFFAOYSA-N 448.317 4.289 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@@H](C)CC2CCCCC2)cc(Br)cc1[N+](=O)[O-] 430357088 MCNYRZWNHUNLDC-NSHDSACASA-N 426.311 4.079 5 20 IIBD COC(=O)c1cc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc(Br)c1F 432351215 KFLZGUSIMZYABL-UHFFFAOYSA-N 431.601 4.189 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N(CCn1ccnc1)Cc1cccc(Cl)c1 432430355 KSUNHZBRBJQFFP-UHFFFAOYSA-N 429.864 4.188 5 20 IIBD Cc1cc2c(N3CCC[C@H]3C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)ncnc2s1 432739663 AHHGPDIOKMEBMY-PBHICJAKSA-N 425.514 4.063 5 20 IIBD O=C(NC1CC1)c1ccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1 435952485 ZYRUUHKXWXJGED-UHFFFAOYSA-N 433.414 4.104 5 20 IIBD O=C(NCc1nc2c(s1)CCCC2)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436348356 XFZYROFLJPJKAI-UHFFFAOYSA-N 425.460 4.225 5 20 IIBD CC(C)n1c([C@@H]2CCCN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])C2)nc2ccccc21 437302368 IQAPYFCXWQILDK-OAHLLOKOSA-N 446.504 4.233 5 20 IIBD C[C@H]1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CCN1Cc1ccccc1 437488542 DIPJTIROYOHQMR-DLBZAZTESA-N 431.920 4.139 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCO[C@]3(C[C@H]4CC[C@H]3C4)C2)cc1[N+](=O)[O-])c1ccccn1 440907504 KUVBAJJUIUFQBZ-QPBWXXGLSA-N 436.512 4.194 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 441684064 DJSCSUQVFRCLNB-UHFFFAOYSA-N 426.498 4.099 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@H](c3nccn3C)C2)c([N+](=O)[O-])c1 444799377 HYOGOXAYJLQGMI-UGKGYDQZSA-N 433.512 4.196 5 20 IIBD CN(c1ccccc1)S(=O)(=O)c1ccc(-c2nc(-c3ccc([N+](=O)[O-])s3)no2)cc1 445485254 WUQOWAXTOYWONB-UHFFFAOYSA-N 442.478 4.198 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 446002896 NXIZWVOTILGTMN-IRXDYDNUSA-N 437.418 4.487 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(Cc3cccc4ccccc34)o2)cc1C 446771421 ZRHRWBWXUULLLE-UHFFFAOYSA-N 438.465 4.139 5 20 IIBD CN(Cc1ccccc1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccccc1 447702087 XKUJRANSPGZNSM-UHFFFAOYSA-N 428.452 4.064 5 20 IIBD C[C@H]1N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2ccccc2)CCC12CCOCC2 460439483 YQOWCMARXAEYBS-LJQANCHMSA-N 447.539 4.491 5 20 IIBD CC(=O)N(c1nnc(Sc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)s1)C1CC1 462487240 SVZHEJQMMJBQCX-UHFFFAOYSA-N 443.510 4.087 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(Cl)c(N2CCNC2=O)c1 463771440 ZAHQDHHMQXVUCM-UHFFFAOYSA-N 443.872 4.154 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 464721245 WDOKMBLIOJKVCT-UHFFFAOYSA-N 429.432 4.206 5 20 IIBD O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465714147 DALXTIUZOMBQOJ-FGZHOGPDSA-N 443.475 4.207 5 20 IIBD C[C@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(-n2cccn2)cc1 466959945 PLOGWCIMUZTLPA-KRWDZBQOSA-N 435.484 4.095 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O 467736795 FTNNZUNXSNNJAV-VHKYSDTDSA-N 426.463 4.115 5 20 IIBD O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 470679469 ALPUWYMDHSBUCU-WBVHZDCISA-N 449.298 4.198 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] 471508442 QFYGDWMJCUQNIC-UCNVEGJOSA-N 439.487 4.099 5 20 IIBD O=C(c1ccccc1C(F)(F)F)N1CCC(Nc2ncnc3cccc([N+](=O)[O-])c23)CC1 475728283 AHYOENUVXASPQM-UHFFFAOYSA-N 445.401 4.274 5 20 IIBD Cc1c(CNC(=O)NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)cccc1[N+](=O)[O-] 478969551 XJXRESDFEFLNMQ-UHFFFAOYSA-N 436.443 4.294 5 20 IIBD Cn1ccnc1C(=O)c1ccc(Sc2nnc(C3CC3)n2-c2ccccc2)c([N+](=O)[O-])c1 480393654 ILAHLQVIHCODHQ-UHFFFAOYSA-N 446.492 4.169 5 20 IIBD COC(=O)c1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)ccc1OC 481831430 TUJMQQYYDKBNPV-UHFFFAOYSA-N 432.498 4.068 5 20 IIBD COc1c(C(=O)N2c3ccccc3CC[C@H]2C(=O)Nc2ccc(F)cc2)cccc1[N+](=O)[O-] 483462112 LLPVYFXCLXUDAD-NRFANRHFSA-N 449.438 4.343 5 20 IIBD COC(=O)Cc1sc(NC(=O)c2cccc(SC)c2[N+](=O)[O-])nc1-c1ccccc1 485915371 PXKFYUXQYHEEFW-UHFFFAOYSA-N 443.506 4.408 5 20 IIBD Cc1cc(C)c(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1Br 486603125 MJCYYDYUMYONJZ-UHFFFAOYSA-N 448.273 4.301 5 20 IIBD Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C2)cc1 486740907 WPNWJPNXBGNOIC-QGZVFWFLSA-N 449.429 4.091 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CN2CCOCC2)cc1 487445828 NZADNUDPJKDDNK-UHFFFAOYSA-N 429.542 4.427 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)c(Cl)c1 488369556 RLLQVSFJUOMBKG-LLVKDONJSA-N 447.296 4.118 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)c2ncccc12 490533160 CXUNFUVRZZKYHK-HNNXBMFYSA-N 449.941 4.352 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2ccc3nnc(C4CCC4)n3c2)cc1[N+](=O)[O-] 494088748 KDMKZEKXTSFZMI-UHFFFAOYSA-N 430.262 4.228 5 20 IIBD O=C(CN(Cc1cccnc1)c1ccccc1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 498153429 PMJYBVRPRJOWTD-QHCPKHFHSA-N 434.521 4.271 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccccc2NCC(F)(F)F)cc1[N+](=O)[O-] 499959693 RLVBBOJQLGBHQH-UHFFFAOYSA-N 429.420 4.450 5 20 IIBD CCNc1ccc(C(=O)N(C)[C@@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 509368611 HORIXNYQHLMEGU-QGZVFWFLSA-N 440.283 4.320 5 20 IIBD C[C@@H](c1ccc2ccccc2c1)N(C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C1CC1 509907099 DMAIZGNBNNOODT-INIZCTEOSA-N 445.475 4.226 5 20 IIBD Cc1c(Br)cc(C(=O)N(CCc2ccccc2)[C@@H]2CCOC2)cc1[N+](=O)[O-] 510478339 LQNIZHOJASSILC-QGZVFWFLSA-N 433.302 4.140 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCN[C@H](c3cccc(Cl)c3)C2)cc1[N+](=O)[O-] 513992414 QICGHZSWKBQAQU-INIZCTEOSA-N 438.709 4.106 5 20 IIBD CC(C)Sc1ccc([C@H](C)NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 517452481 ACDFWRSIUOCOCA-ZDUSSCGKSA-N 435.933 4.356 5 20 IIBD Cc1nc(C)c(CCNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)s1 517457364 PAFJAXVLNPAAJY-CYBMUJFWSA-N 425.514 4.209 5 20 IIBD COC(=O)COc1ccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c(C)c1 517465789 LNRVPYPXBYLVKT-UHFFFAOYSA-N 435.436 4.451 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 518119533 JAHXTBNIVAADAU-HXUWFJFHSA-N 439.855 4.101 5 20 IIBD CCOc1ccc(Br)cc1-c1noc(CCNc2ccccc2[N+](=O)[O-])n1 519489849 ABNFMDJLCWXONP-UHFFFAOYSA-N 433.262 4.461 5 20 IIBD O=C(N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)c1cc2cccc([N+](=O)[O-])c2[nH]1 520978760 FUEUWDPJRIEMKD-LJQANCHMSA-N 441.447 4.372 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)cc1OC 521313559 VIVYQZBYLBHAOV-UHFFFAOYSA-N 448.838 4.292 5 20 IIBD Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 521363097 SWZURFOLUDIQOC-UHFFFAOYSA-N 436.468 4.410 5 20 IIBD COc1cc(C(=O)N[C@H]2CCC[C@H](SC)C2)c([N+](=O)[O-])cc1OCc1cscn1 522667150 UHSCOWDMKBCIHI-JSGCOSHPSA-N 437.543 4.043 5 20 IIBD CCOc1cc(NC(=O)c2ccc(OC)cc2Br)c([N+](=O)[O-])cc1OCC 523388982 NVACULDQQYFCKP-UHFFFAOYSA-N 439.262 4.416 5 20 IIBD CC(C)Oc1ccc(NC(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1Cl 525326976 SPZXIANOYDNHGA-UHFFFAOYSA-N 433.892 4.113 5 20 IIBD COc1ccc(Oc2ccc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)cn2)cc1 525595444 OXWCLPYBRJGFPK-UHFFFAOYSA-N 431.408 4.229 5 20 IIBD O=[N+]([O-])c1cc(CNC2CCN([C@H]3CCCC[C@@H]3O)CC2)ccc1Oc1ccc(F)cc1 531759129 GBLGWUHWADWQBO-GMAHTHKFSA-N 443.519 4.384 5 20 IIBD O=C(O)CCN(C[C@H]1CCCO1)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 532599028 VJHAHLZMXHTYJR-QGZVFWFLSA-N 448.859 4.136 5 20 IIBD CC[C@@H](c1ccccc1)N(CC(=O)OC)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 534154012 AHUNVEOXYVZJRB-IBGZPJMESA-N 439.493 4.485 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)N1CC[C@@H](N2CCCC2)C1 534271347 VXDVNVXIOXAAKQ-GOSISDBHSA-N 428.920 4.171 5 20 IIBD O=C(NCCSCc1ccc(Cl)cc1Cl)c1cc2c(cc1[N+](=O)[O-])OCO2 537145383 ZACGNQCHXOCXDC-UHFFFAOYSA-N 429.281 4.294 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(CN2CCOCC2)c1 537495821 SCJMOCFKLRQUFF-UHFFFAOYSA-N 443.569 4.249 5 20 IIBD NS(=O)(=O)c1c(NCc2ccc(Sc3ccc(F)cc3)cc2)cccc1[N+](=O)[O-] 539106270 TZAAAZNZWMAOMK-UHFFFAOYSA-N 433.486 4.145 5 20 IIBD CC(=O)N1CCN(Cc2ccc(NC(=O)c3cc4ccccc4c4cccnc34)cc2)CC1 539680161 NUYILMGTBGQYOX-UHFFFAOYSA-N 438.531 4.304 5 20 IIBD C[C@@H](Oc1cccnc1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1ccccc1 540696566 SNAYYLVHHTUNGF-MRXNPFEDSA-N 427.482 4.114 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nnnn2C(C)C)c(F)c1 541226361 BTZYICHFXBRAJM-UHFFFAOYSA-N 430.465 4.333 5 20 IIBD CCc1ccc([C@@H](NCCCS(=O)(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)o1 542478503 IRTLLBSTOOUOTB-QFIPXVFZSA-N 428.510 4.293 5 20 IIBD COCC(=O)N1CCc2c(NC(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)cccc21 544477184 OLNAEYLFTAYCHF-UHFFFAOYSA-N 447.447 4.175 5 20 IIBD COc1ccc2oc([C@@H](C)NCCC(=O)Nc3cc([N+](=O)[O-])ccc3OC)c(C)c2c1 544478033 KGGKCTCMLHQNIL-CQSZACIVSA-N 427.457 4.346 5 20 IIBD COc1ccc(OC)c(-c2noc(-c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)n2)c1 544914948 ZJYXWDUVEVZBGS-UHFFFAOYSA-N 435.440 4.191 5 20 IIBD Cc1ccc(-c2noc(CCNC(=O)Nc3ccc(Br)cc3)n2)cc1[N+](=O)[O-] 544948404 DYTIPQUGBWFNII-UHFFFAOYSA-N 446.261 4.080 5 20 IIBD CCN([C@@H](c1cccnc1)c1ccc(F)c(F)c1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] 546776288 QYGNPDWKZDYWGI-OAQYLSRUSA-N 447.463 4.209 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(Cc4cc(Cl)c5c(c4)OCCO5)n3)c2c1 547201147 URGCXCGGINZLBK-UHFFFAOYSA-N 426.816 4.065 5 20 IIBD CCOc1cc(N(CCn2ccnc2)Cc2ccc(Br)o2)ccc1[N+](=O)[O-] 553242534 BRKDLYNAYLGLCZ-UHFFFAOYSA-N 435.278 4.252 5 20 IIBD O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]1/C=C\c1ccccc1 556526117 NPPVWXWRSMYXMP-XZVRFQMRSA-N 444.285 4.000 5 20 IIBD Cc1c(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])cnn1-c1cccc(C(F)(F)F)c1 557363246 LGUQQLDQOXJKNY-UHFFFAOYSA-N 432.402 4.422 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])c1nnc(-c2cccc3cccnc23)n1C[C@H]1CCOC1 559173301 SWELSEOJWWWIHE-QGZVFWFLSA-N 444.495 4.074 5 20 IIBD CCOc1ccccc1C(=O)N1CCC[C@H]1c1nc(Cc2ccc([N+](=O)[O-])c(C)c2)no1 565296642 BPFWGNRKLJAEMP-IBGZPJMESA-N 436.468 4.253 5 20 IIBD CCN1CCN(c2ccc(-c3noc([C@@H](C)c4cccc([N+](=O)[O-])c4)n3)cc2F)CC1 567789467 QIRHPNFDAASCJJ-HNNXBMFYSA-N 425.464 4.078 5 20 IIBD CCCN(C)C[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2ccccc2)C1 568668452 ZSTOGJIJEFDTIO-OAQYLSRUSA-N 448.571 4.264 5 20 IIBD CNC(=O)c1cc(Oc2ccc(NCc3c(F)cc([N+](=O)[O-])cc3F)cc2F)ccn1 569866982 YICXUEBEZFPOPJ-UHFFFAOYSA-N 432.358 4.171 5 20 IIBD Cc1nc2ccccc2cc1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 574712675 ZOTVNOFMMYWQIS-UHFFFAOYSA-N 444.413 4.433 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@H]1c1cccc2c1OCCO2 589579652 WEVPYYHVJVHLKZ-QHCPKHFHSA-N 440.499 4.290 5 20 IIBD O=C(N[C@H]1CC[C@](O)(C(F)(F)F)C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 590433811 SXVUYKPAIICJNS-SCLBCKFNSA-N 426.416 4.322 5 20 IIBD CCOC(=O)c1c(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])sc2c1CC[C@@H](C)C2 603042662 UNOJZUOHIRQHJF-LLVKDONJSA-N 448.497 4.227 5 20 IIBD O=C(NC[C@H](CO)Cc1ccco1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 603551332 SPUGEJUWCZPIRS-CQSZACIVSA-N 430.844 4.215 5 20 IIBD COc1ccc(CNC(=O)[C@H](C)Sc2ccc(Br)cc2)cc1[N+](=O)[O-] 604018573 XAZFVNWJRXEWJH-NSHDSACASA-N 425.304 4.163 5 20 IIBD CCOc1ccc(NC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cc1F 604087375 GEDMPGYZGGFFCV-QGZVFWFLSA-N 433.436 4.337 5 20 IIBD CCOc1ccc([C@@H](NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 608876274 ITUADKCFMJJSRA-SBUREZEXSA-N 447.491 4.018 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 608929308 VRGOIBKTLJZCCM-UHFFFAOYSA-N 442.497 4.248 5 20 IIBD O=[N+]([O-])c1cc(I)ccc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 608974389 ZBWMTTDXCVMEMK-INIZCTEOSA-N 446.191 4.056 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 609467499 QPWDTGXKXLZGME-QWRGUYRKSA-N 443.344 4.182 5 20 IIBD O=[N+]([O-])c1ccc(-n2cc(-c3nc(-c4ccc(OCc5cccnc5)cc4)no3)cn2)cc1 609475629 OCUUXERENYIMCS-UHFFFAOYSA-N 440.419 4.472 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCN(Cc2ccncc2)CC1 609782275 ZBNGKLCCPQDKLZ-UHFFFAOYSA-N 433.468 4.132 5 20 IIBD CC[C@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)c1ccc(F)cc1F 609965295 XSAKZHZGLXKYPU-KRWDZBQOSA-N 425.457 4.221 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3C[C@@H](C)CCC[C@H]3C)cc2)cc1[N+](=O)[O-] 610200709 KNQQILOEWQMIRF-DOTOQJQBSA-N 445.541 4.355 5 20 IIBD O=[N+]([O-])c1cnn(CCSc2nnc(Cc3ccccc3)n2-c2ccc(Cl)cc2)c1 610207681 RZIXQHHHDUPOON-UHFFFAOYSA-N 440.916 4.409 5 20 IIBD COc1cc(CSc2n[nH]c(-c3ccccc3F)n2)c([N+](=O)[O-])cc1OC(F)F 619247920 XNTIRUQPRCGLES-UHFFFAOYSA-N 426.376 4.421 5 20 IIBD Cc1cccn2cc(COC(=O)c3ccc(N[C@@H](C)c4ccccn4)c([N+](=O)[O-])c3)nc12 728332052 NUOSBSYKBRRVIJ-INIZCTEOSA-N 431.452 4.476 5 20 IIBD COc1ccc(NC(=O)[C@H](OC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C(C)C)cc1 728651844 YLLHVDLTXISLQZ-LJQANCHMSA-N 448.497 4.154 5 20 IIBD CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 733251462 QAPHGYWPSQIZDV-UHFFFAOYSA-N 440.102 4.489 5 20 IIBD CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 734139038 GVCNYUINTFHBFF-HSZRJFAPSA-N 448.564 4.254 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2csc(Cc3ccccc3F)n2)cccc1[N+](=O)[O-] 735559310 YMNDLWGVCXMLEH-ZDUSSCGKSA-N 443.456 4.274 5 20 IIBD C[C@H](OC(=O)c1csc(Nc2ccccn2)n1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 736898911 NOTXISCNVRMFDO-JTQLQIEISA-N 447.860 4.027 5 20 IIBD CN(Cc1cccc(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)c1)C(=O)OC(C)(C)C 737024712 JDNBSEIGFMADAG-UHFFFAOYSA-N 443.504 4.195 5 20 IIBD Cc1oc(-c2ccccc2F)nc1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 738671529 MHKVQYPUZZEQNN-UHFFFAOYSA-N 433.779 4.146 5 20 IIBD Cc1c(C(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 739818353 KKIXHPHSQTWRKX-AWEZNQCLSA-N 432.408 4.102 5 20 IIBD C[C@H](O)C[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 740842634 KZQUNJMZVUPCBL-OALUTQOASA-N 439.556 4.191 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1cc(N2CCOC2=O)ccc1F 741526407 YBLDERAQXYIBDU-UHFFFAOYSA-N 449.394 4.174 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCC1(c2cccc(C(F)(F)F)c2)CCC1 742112445 OCDQTUBTZNXUDG-UHFFFAOYSA-N 426.366 4.370 5 20 IIBD C/C(=C\C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1cccc(C(F)(F)F)c1 742697099 HDADWCHPFGUUOC-FYWRMAATSA-N 447.413 4.002 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@H]3CSc4ccccc43)CC2)ccc1[N+](=O)[O-] 744203346 HJWSSESSRYEPSR-SFHVURJKSA-N 428.510 4.395 5 20 IIBD Cc1cc(C)c(C(=O)[C@@H](C)OC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1C 745025828 ABBSNHOHEDLSML-NVXWUHKLSA-N 444.509 4.001 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1NC(=O)CC(C)C 745293841 HTVIYJDNAYHOLR-UHFFFAOYSA-N 447.875 4.337 5 20 IIBD O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCN(c2ncnc3sccc23)C1 745537097 VZRNPFOHZGJCIS-GFCCVEGCSA-N 432.889 4.213 5 20 IIBD O=C(OCc1cn2cc(Br)ccc2n1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 745568377 MVAKDLIOZWQHEW-UHFFFAOYSA-N 444.163 4.381 5 20 IIBD CN(CC(=O)OCc1csc(COc2ccc(Cl)cc2)n1)c1ccccc1[N+](=O)[O-] 745614182 DIVOAZXKAZLFRV-UHFFFAOYSA-N 447.900 4.463 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2cc(C(C)C)n(C)n2)c2ccccc2)c([N+](=O)[O-])c1 747014910 PJYZXXHOAIJWFH-OAQYLSRUSA-N 436.468 4.297 5 20 IIBD C[C@@H](OC(=O)c1cc(Cl)cc(Br)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 747134073 VBCGYKFUVVMUNQ-SECBINFHSA-N 427.638 4.195 5 20 IIBD COc1ccc(CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)c(OC2CCCC2)c1 748284340 YVHBSRAYKQGPPK-UHFFFAOYSA-N 427.457 4.494 5 20 IIBD CC[C@H](OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(NC(C)=O)cc1 748870258 QOUKATFMFHSJFC-DJJJIMSYSA-N 430.482 4.239 5 20 IIBD COc1ccc(Br)cc1[C@@H]1CCCN1Cn1nc(C)c2cc([N+](=O)[O-])cnc21 749947237 ORDDJRMMQOIESY-KRWDZBQOSA-N 446.305 4.214 5 20 IIBD O=C(COC(=O)c1cccc(Cl)c1[N+](=O)[O-])Nc1ccc(N2CCCCCC2)cc1 750542667 WIIHCQRTPBNZQV-UHFFFAOYSA-N 431.876 4.424 5 20 IIBD O=C(NCCCNc1cccc(F)c1)c1cc(Br)cc([N+](=O)[O-])c1Cl 753250331 IIINFTOPJLMHDF-UHFFFAOYSA-N 430.661 4.382 5 20 IIBD Cc1cc(Br)ncc1NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 754457032 JNTVJJQRFFLVAC-UHFFFAOYSA-N 435.278 4.136 5 20 IIBD CN(Cc1cc(Br)ccc1Cl)Cn1cc(Br)c([N+](=O)[O-])n1 754850977 FLAXOYRTYWACTE-UHFFFAOYSA-N 438.507 4.059 5 20 IIBD Cc1ccc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(Br)c1 754970424 GKJVYMSXTXMOPR-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCc1cc(Cl)cc(Cl)c1OC(F)F 756981232 JKNKIPPGFJLNQS-UHFFFAOYSA-N 439.173 4.337 5 20 IIBD CC[C@@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1NC(=O)OC(C)(C)C 757033615 GUKLXSFKYKDEQX-QUCCMNQESA-N 448.564 4.252 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-] 758180167 XUDURBBCCHLCST-OAHLLOKOSA-N 430.244 4.146 5 20 IIBD COc1ccc(CSCC(=O)Nc2cnc(Cl)c(Br)c2)cc1[N+](=O)[O-] 759164371 ZAAJSAATHFJBST-UHFFFAOYSA-N 446.710 4.286 5 20 IIBD CC(C)(C)c1ccc(C(=O)NCC(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 760461656 JCINGVIKHZBQQA-UHFFFAOYSA-N 437.452 4.021 5 20 IIBD Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 760791512 HFFDEBMNQJEOLI-SECBINFHSA-N 442.211 4.302 5 20 IIBD CN1CCC(N(C)[C@H]2CCCC[C@@H]2N(C)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 762237179 IRECNJSWMFJPPE-OALUTQOASA-N 437.972 4.049 5 20 IIBD Cc1cc(Cc2noc(-c3csc(CNC(=O)OC(C)(C)C)n3)n2)ccc1[N+](=O)[O-] 762299027 OUQKDUOLAKIACQ-UHFFFAOYSA-N 431.474 4.025 5 20 IIBD CCOC(=O)Nc1ccc(Br)cc1NC(=O)CCc1cccc([N+](=O)[O-])c1 764537498 JNDLQKOETJBUQW-UHFFFAOYSA-N 436.262 4.497 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 765016818 ZNGVVFXANILCSI-SFHVURJKSA-N 442.516 4.310 5 20 IIBD COC(=O)c1cc(Oc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)ccc1[N+](=O)[O-] 765031062 NEQMJAPENZLSNV-UHFFFAOYSA-N 425.353 4.056 5 20 IIBD CC[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@H]1NC(=O)OC(C)(C)C 770000582 AXIRUZQCENQZPC-SWLSCSKDSA-N 426.901 4.405 5 20 IIBD C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 771984061 BLKICDVYOTXTMI-WMZOPIPTSA-N 434.537 4.005 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCCc2cnc(C)s2)cc1[N+](=O)[O-] 772216005 WBSDGGZDERJOIT-UHFFFAOYSA-N 441.534 4.285 5 20 IIBD O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1cc(OC(F)F)cc(OC(F)F)c1 775926078 LRMTVYSQKKSXHS-UHFFFAOYSA-N 430.266 4.296 5 20 IIBD COc1ccc(CSCC(=O)Oc2cc(Br)ccc2F)cc1[N+](=O)[O-] 777247378 DNCOULYTFYVJIE-UHFFFAOYSA-N 430.251 4.344 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NNc1c(Cl)cc(Cl)cc1Cl 777906221 UWRLWUKSICDNJZ-UHFFFAOYSA-N 428.656 4.308 5 20 IIBD CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 778147212 KYYTVDYCNAYDFF-GOSISDBHSA-N 447.919 4.043 5 20 IIBD COc1cc(CSc2n[nH]c3nc4ccccc4n23)c([N+](=O)[O-])cc1OCC(F)F 779724475 LQTRHGRNAOIISV-UHFFFAOYSA-N 435.412 4.064 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc(C(=O)c3cccc(O)c3)cc2)cccc1[N+](=O)[O-] 781224664 TVGHMCGVQNIEDE-HNNXBMFYSA-N 448.431 4.024 5 20 IIBD CCC(CC)(CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N[C@@H](C)c1ccccc1 783324534 UDEDIMLOHXJBGM-HNNXBMFYSA-N 446.935 4.213 5 20 IIBD O=C(OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)c(F)c1 784507001 QEDPEMCWLPVRDZ-CYBMUJFWSA-N 440.349 4.214 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@@H](Oc3ncccc3F)C2)CC1 785575035 CQGSGESBWQUBEB-GOSISDBHSA-N 442.491 4.049 5 20 IIBD CCS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2ncc(C)c([N+](=O)[O-])c2C)c1Cl 789671091 IMGFYFZJSRURBI-UHFFFAOYSA-N 447.296 4.064 5 20 IIBD C[C@@H](OC(=O)COc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 789749736 VLDMTIBXGMBFAV-OAHLLOKOSA-N 438.411 4.350 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(C(=O)C(C)(C)C)cc2)c(C)c1[N+](=O)[O-] 790395395 VNUWGKBFMXDMLN-UHFFFAOYSA-N 435.458 4.149 5 20 IIBD COc1ccc(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])cc1Br 790550698 FJITZLONUKNPJV-UHFFFAOYSA-N 431.645 4.017 5 20 IIBD COC(=O)c1cc(NC(=O)CCc2ccccc2NC(=O)OC(C)(C)C)cc([N+](=O)[O-])c1 790916890 NRGLXOLWSGUOJB-UHFFFAOYSA-N 443.456 4.300 5 20 IIBD Cc1ccc(OCCCC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cc1 791174515 MQRWTONPRZQZJH-UHFFFAOYSA-N 433.302 4.410 5 20 IIBD C[C@H]1C[C@@H](c2ccccc2)CN1CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O 795429929 VVHNFWDNNUQLOA-DZGCQCFKSA-N 430.302 4.149 5 20 IIBD CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 797281101 QGMNBJRRRMOPNA-MRXNPFEDSA-N 435.502 4.311 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C)[C@H](O)c2c(Cl)cccc2Cl)c1 798334188 QPJBNMOFINKIHY-BUXKBTBVSA-N 427.284 4.217 5 20 IIBD COc1ccc(C2=NO[C@H](CNc3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])C2)cc1 800876037 VBTAHVCVXJQDHB-LBPRGKRZSA-N 446.332 4.258 5 20 IIBD C[C@@H](OC(=O)c1nc2ccccc2cc1Br)C(=O)Nc1ccc([N+](=O)[O-])cc1 808704367 BTKZGMRLFHQGDM-LLVKDONJSA-N 444.241 4.090 5 20 IIBD CN(C[C@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1)C(=O)OC(C)(C)C 809917385 GFMHRTILXPOVQU-CYBMUJFWSA-N 426.901 4.359 5 20 IIBD O=C(O[C@H]1CCCN(Cc2ncccn2)C1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 810747029 VEWIKADXSNNVAM-KRWDZBQOSA-N 442.541 4.241 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](C2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)C1 810952571 RYEZXPDVJYHSOQ-HNNXBMFYSA-N 437.924 4.357 5 20 IIBD C[C@H](Nc1ccc(C(=O)OCC2CCN(CC(F)F)CC2)cc1[N+](=O)[O-])c1ccccn1 810962057 MXZMATXUPYBBEM-HNNXBMFYSA-N 448.470 4.297 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 815847485 OWMCHQSOJKEYKP-KSSFIOAISA-N 426.366 4.481 5 20 IIBD C[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 816796462 GYQMWMUQXULCAX-GFCCVEGCSA-N 444.326 4.171 5 20 IIBD O=C(CCc1nc(-c2ccc(-n3cnc4ccccc43)nc2)no1)c1cccc([N+](=O)[O-])c1 904488659 KAFHHPJDLATFFT-UHFFFAOYSA-N 440.419 4.194 5 20 IIBD CCOc1cc(/C=C2/N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc(Br)c1OC 912754000 DLNUEEJFSTYNFO-OVCLIPMQSA-N 447.241 4.109 5 20 IIBD O=C(Nc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1F 917629158 LMHLTCZSVFEYDM-UHFFFAOYSA-N 437.383 4.010 5 20 IIBD O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)Nc1cccc(COCCOc2ccccc2)c1 917749049 BKUAOVYDYGBUOI-UHFFFAOYSA-N 446.456 4.130 5 20 IIBD COc1ccc(OC(=O)[C@@H]2CCCCN2C(=O)/C=C\c2ccc(Cl)cc2)c([N+](=O)[O-])c1 919678551 BCKMJLXZOJWENW-IKPBFSQCSA-N 444.871 4.257 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3c(s2)CCCCCC3)cc1Br 919930815 SVHQERRJKBXFBU-UHFFFAOYSA-N 446.348 4.274 5 20 IIBD COc1ccc2[nH]cc(CC(=O)OCCOc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)c2c1 920145840 CJMSNXUKPDJIOY-UHFFFAOYSA-N 438.358 4.268 5 20 IIBD CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc([N+](=O)[O-])ccc1NC 1116409731 CEXHLLBIXASGCV-UHFFFAOYSA-N 425.272 4.044 5 20 IIBD C[C@H](NC(=O)c1nn(-c2ccccc2F)cc1Br)c1cccc([N+](=O)[O-])c1 1317901915 DOPKYDFYWQNVME-NSHDSACASA-N 433.237 4.173 5 20 IIBD COC(=O)[C@H](OC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1Cl 1319023640 IYANOMCQYFKGAH-CQSZACIVSA-N 428.622 4.082 5 20 IIBD Cc1nc(C(=O)Nc2ccc(C3(NC(=O)c4cc(F)cc([N+](=O)[O-])c4)CCC3)cc2)co1 1787396439 QQWRGJKEICAEOY-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD Cc1ccncc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)CCC2)cc1 1788822733 GNLTTXQAKWKVTF-UHFFFAOYSA-N 446.463 4.065 5 20 IIBD CC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)CCCC1 1800038137 ABQAEQFKILYDIS-ACDBMABISA-N 439.556 4.235 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@]2(C)C[C@H]2C)n[nH]1 1820772043 PYYPWRRKALTJGC-LPCJOIQWSA-N 443.479 4.117 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(C)C)CC2 1823699139 KBGXTKYLUAMZGR-CYBMUJFWSA-N 448.520 4.161 5 20 IIBD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCCC[C@H]1C1CCN(C(=O)C23CCC(CC2)CC3)CC1 1829835440 AHPMNPSANLAWPD-QOALBKQRSA-N 442.560 4.127 5 20 IIBD O=C(CSc1nc2cc(Cl)cnc2[nH]1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9553114 IRJIHRXJGWHFEC-UHFFFAOYSA-N 431.783 4.269 5 20 IIBD C[C@@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)Nc1c(F)cccc1F 10723334 QOUCHSDOFCQJKU-CQSZACIVSA-N 436.414 4.003 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccc(SC(F)F)cc1 10764477 HWYNIUHVFAROGA-JTQLQIEISA-N 426.397 4.102 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cc(C(C)C)nc2ccccc12 18023945 SABDSMMDIQXFQL-CQSZACIVSA-N 437.452 4.459 5 20 IIBD CCN(CC)C(=O)c1ccc(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])cc1 18056915 CCPQLMDHLYNIIZ-UHFFFAOYSA-N 445.419 4.114 5 20 IIBD CN(Cc1ccc(Br)s1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 18107653 BIAMGXMRXUBCLU-UHFFFAOYSA-N 438.347 4.294 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3cccc(Cl)c3)o2)c([N+](=O)[O-])c1 18595801 RJVXLKIYNPWXHL-JTQLQIEISA-N 434.861 4.426 5 20 IIBD C[C@@H](OC(=O)c1cc(F)ccc1Br)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 18966085 WWRQDYHGLRGHFG-MRVPVSSYSA-N 445.628 4.334 5 20 IIBD C[C@@H](OC(=O)/C=C/c1ccc2ccccc2n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 20974699 HJTLOWPEGDMEGW-RUNBWSAHSA-N 425.828 4.380 5 20 IIBD COc1cc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)c([N+](=O)[O-])cc1OC(F)F 26987143 KLLWAJNBWBZTOR-UHFFFAOYSA-N 444.774 4.272 5 20 IIBD CC(C)[C@H](CNC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccccc1 27635093 CLYBFOUGOKKSRU-KRWDZBQOSA-N 425.514 4.044 5 20 IIBD COc1cccc(NC(=O)COc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)c1 28609944 XGKWVWBKKHYLLQ-UHFFFAOYSA-N 446.415 4.394 5 20 IIBD CNC(=O)c1ccc(CN(C)[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)cc1 29929652 WFDXTKVYXPBENA-QHCPKHFHSA-N 446.507 4.075 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1cccc(COCc2ccccc2)c1 32442107 ZIOPKYYFAPLKJH-UHFFFAOYSA-N 426.494 4.099 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCc2ccc(OCC3CC3)nc2)cc1[N+](=O)[O-])c1ccccn1 60323793 ZSAIRVXEUFWZFZ-INIZCTEOSA-N 447.495 4.277 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 78770490 DBBFLJZTEIGTNF-LBPRGKRZSA-N 432.889 4.138 5 20 IIBD Cc1c(C(=O)N2CCCc3cc(Br)cc(F)c32)cc([N+](=O)[O-])cc1[N+](=O)[O-] 97549806 LFAMSZCLPFKGGL-UHFFFAOYSA-N 438.209 4.306 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 169311298 PBHMSAOBJSVDCJ-HSZRJFAPSA-N 439.947 4.160 5 20 IIBD CCOc1cc(NC(=O)Cc2csc(-n3c(C)ccc3C)n2)c([N+](=O)[O-])cc1OCC 195610396 HWSZQTFQIAQTJM-UHFFFAOYSA-N 444.513 4.437 5 20 IIBD O=[N+]([O-])c1cc(CN[C@@H]2CCN(c3ncccc3F)C2)ccc1Oc1ccc(F)cc1 237884367 CEOURNUBGOQSJK-QGZVFWFLSA-N 426.423 4.429 5 20 IIBD Cc1c(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)nnn1-c1cccc([N+](=O)[O-])c1 253599602 PGUAUXDCFSCHNI-UHFFFAOYSA-N 439.435 4.280 5 20 IIBD O=[N+]([O-])c1cnc(N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)c(Cl)c1 301285522 QKZYETMHSURKRK-UHFFFAOYSA-N 433.896 4.228 5 20 IIBD O=C(c1cc(N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)ccc1[N+](=O)[O-])N1CCCC1 302147004 GWPNIHCEWIVIFX-FQEVSTJZSA-N 449.429 4.428 5 20 IIBD CNC(=O)c1ccc(NCc2cc(Br)ccc2Br)c([N+](=O)[O-])c1 302481993 YEQKWFMNFKBDHK-UHFFFAOYSA-N 443.095 4.092 5 20 IIBD CCCn1ccc2cc(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)ccc21 303508207 SJYNTIOCKOBNPG-QGZVFWFLSA-N 426.498 4.264 5 20 IIBD Cc1c(C(=O)NC(c2cccs2)c2cccs2)nnn1-c1cccc([N+](=O)[O-])c1 303730137 DMWOMLBJFLQGEG-UHFFFAOYSA-N 425.495 4.126 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)CC[C@H]1O 428667000 KXMJBWWQOCESEU-MLGOLLRUSA-N 429.523 4.199 5 20 IIBD CCCc1c(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cnn1-c1ccc(F)cc1 429335322 ROMDJXPBKBSAQF-UHFFFAOYSA-N 434.431 4.310 5 20 IIBD O=C(N[C@@H](CO)CC(F)F)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 430532442 LKCXGDUHKZUGCP-LLVKDONJSA-N 439.465 4.102 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3ccccc3Br)CC2)ccc1[N+](=O)[O-] 431425239 BSCGGRNDVVHNGW-UHFFFAOYSA-N 449.305 4.110 5 20 IIBD O=C(O)CCCOc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 431779089 QJLBPHGIEPTBKY-UHFFFAOYSA-N 430.460 4.037 5 20 IIBD Cc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)sc1Br 433496818 HLFVMQNTJFLQET-UHFFFAOYSA-N 443.247 4.129 5 20 IIBD O=C(NCc1ccc(F)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435510950 KJBBPXZQJVWTCS-UHFFFAOYSA-N 431.470 4.202 5 20 IIBD O=C(Nc1ccc(CN2CCOCC2)cc1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 435823188 ZJKAQKDYXMWZMI-UHFFFAOYSA-N 449.457 4.044 5 20 IIBD CO[C@]1(C)C[C@H](N(C)C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1(C)C 436333987 DNHHIRHAEMMDKI-RWAHWCJQSA-N 426.517 4.439 5 20 IIBD CC(=O)c1ccc(O)c(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c1 436676931 AUZSQBNFDJUQQJ-UHFFFAOYSA-N 435.223 4.248 5 20 IIBD CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 436974140 WNMBPNHCDLFOER-UHFFFAOYSA-N 442.449 4.139 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(COC2CCCCC2)c1 438752284 FQCKLJJIRMUUBL-UHFFFAOYSA-N 427.457 4.030 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1cccc(CC(F)(F)F)c1 438764725 PSNWEEFNJGAXNY-UHFFFAOYSA-N 439.209 4.263 5 20 IIBD COc1ccccc1-c1noc([C@@H](C)NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)n1 444135836 ZLVIKRWWZDEXKL-CQSZACIVSA-N 440.459 4.231 5 20 IIBD C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 444229001 WULSERTVKSWUIZ-ZBEGNZNMSA-N 431.297 4.052 5 20 IIBD C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 444409312 JJROHFXGCKLZFW-VLIAUNLRSA-N 426.860 4.036 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1ccnn1Cc1cccc2ccccc12 445163115 HRDXVRHNUVEVPJ-UHFFFAOYSA-N 441.451 4.191 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(-c3ccc(-c4ccc(Br)cc4)n3C)n2)n1C 445618866 GJBSYJSIVWUIBE-UHFFFAOYSA-N 443.261 4.122 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CC[C@@H](n2ncc3ccccc32)C1 447681463 ZRTIYOYIUYPSEC-GFCCVEGCSA-N 427.333 4.445 5 20 IIBD C[C@H](Oc1cccc(Br)c1)C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 460345908 IGTZJQOHSRQUTK-KPZWWZAWSA-N 437.315 4.399 5 20 IIBD COc1ccc(CSCC(=O)N2C[C@H](c3ccccc3C)OC[C@@H]2C)cc1[N+](=O)[O-] 460389077 RMBNLXOJDJPRQK-HRAATJIYSA-N 430.526 4.134 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(N2CCc3ccccc3C2)nc1 462430649 IKXCWGPWJYIIBA-OAQYLSRUSA-N 444.535 4.438 5 20 IIBD COc1ccc(C[C@@H]2CCCN(c3ccc(C(=O)c4nccn4C)cc3[N+](=O)[O-])C2)cc1 462889783 LKQJVIRLLPNDLH-SFHVURJKSA-N 434.496 4.027 5 20 IIBD Cn1cc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(-c2ccccc2Cl)n1 464645576 VKMTWZBCSMNCDC-UHFFFAOYSA-N 440.887 4.332 5 20 IIBD CC(=O)N1CC[C@H](CN(C)C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 466542193 QDGBMXFEZVZBGE-OAHLLOKOSA-N 447.944 4.340 5 20 IIBD COc1c(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)cccc1[N+](=O)[O-] 466611925 SJOWJVNXGFVMHG-UHFFFAOYSA-N 438.465 4.172 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2O1 466742194 DUYNFKDHBFMZEA-VQDSBOJYSA-N 427.888 4.037 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Br)cc1C(F)(F)F 467428196 GTXMFVDLGHOMFG-UHFFFAOYSA-N 439.209 4.485 5 20 IIBD CC(C)n1c([C@@H]2CCCN2C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)nc2ccccc21 467496745 YFTYYCLXWFVCOK-FQEVSTJZSA-N 445.483 4.083 5 20 IIBD O=C(Nc1nnc(-c2ccc(Cl)cc2F)s1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 470628512 WXPMVUTYODREES-UHFFFAOYSA-N 444.835 4.344 5 20 IIBD COc1cc(C(=O)N[C@H]2CCCO[C@H]2c2ccc(C)cc2)c([N+](=O)[O-])cc1OC(F)F 470772904 MCJUGDXTCZXTAX-KXBFYZLASA-N 436.411 4.163 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)cc1C 471500366 QSJCLZVRNPGFJE-UHFFFAOYSA-N 432.527 4.190 5 20 IIBD Cc1cc(NC(=O)N2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)ccc1[N+](=O)[O-] 473768947 ZCMUKCIWFPWGMJ-UHFFFAOYSA-N 436.512 4.338 5 20 IIBD COc1c(C(=O)N(CCCn2ccnc2)Cc2c(F)cccc2Cl)cccc1[N+](=O)[O-] 475905518 LABVRYPMQDCQEI-UHFFFAOYSA-N 446.866 4.325 5 20 IIBD Cc1cc(Cl)c(NC(=O)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1Cl 477913257 UKQAXXUSVNYZSL-UHFFFAOYSA-N 430.675 4.161 5 20 IIBD COc1cc(C(=O)N[C@@H]2CCN3CCCC[C@H]23)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 481308630 LPDIMRFLFQJXSC-IAGOWNOFSA-N 445.903 4.406 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 482416719 USAHAZRVIDOWJY-UHFFFAOYSA-N 445.516 4.080 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)cc(C(=O)OC)c1 484579960 CJWQUNYAOIMTMI-UHFFFAOYSA-N 446.481 4.168 5 20 IIBD Cc1nc2c(s1)CCC[C@@H]2C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 485761743 YCVJQCAIMRPSBQ-LBPRGKRZSA-N 428.436 4.027 5 20 IIBD Cc1cccc(N(CC(=O)N2CCCCC2)C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 485941542 AGHXVZCIUPDXKK-GOSISDBHSA-N 441.553 4.430 5 20 IIBD O=C(Nc1cc(Cl)ccc1N1CCCCC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 486749935 DILOIWZOORXPEI-UHFFFAOYSA-N 432.912 4.304 5 20 IIBD Cc1ccc([C@H](C)NC(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)cc1[N+](=O)[O-] 488043814 ACWZGJBJWCDLJC-YOEHRIQHSA-N 449.429 4.148 5 20 IIBD O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCC(Cc2ccccc2CO)CC1 490414924 YOWXEEUOTYJBSU-UHFFFAOYSA-N 426.516 4.269 5 20 IIBD COC(=O)C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 495757051 DLJUXNCPBZNYPB-HNNXBMFYSA-N 431.876 4.028 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Cc2csc(-c3ccc(Br)cc3)n2)cc1 498705493 AEOAVQGHASXMSG-UHFFFAOYSA-N 439.312 4.455 5 20 IIBD O=C(Nc1ccn(-c2ccc(Br)cc2)n1)c1ccc([N+](=O)[O-])c2cccnc12 498848004 AQIBFTMYVQIIFG-UHFFFAOYSA-N 438.241 4.344 5 20 IIBD O=C(CCCc1nc(-c2ccc(F)cc2)no1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 499035843 ADIZPHPPTYSANU-UHFFFAOYSA-N 436.403 4.135 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCC3(C)CCOCC3)c([N+](=O)[O-])c2)c(C)c1 499673438 VWAFJQWWXWLAGE-UHFFFAOYSA-N 433.530 4.241 5 20 IIBD Cc1cc(N(C)C)cc(C)c1NC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 501194701 AIXFRJDZUZBVHY-IBGZPJMESA-N 442.516 4.482 5 20 IIBD COc1cc(C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)c([N+](=O)[O-])cc1OC 502135695 GMMCUPDXJXMKMA-UHFFFAOYSA-N 446.353 4.281 5 20 IIBD C[C@@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)N(C)Cc1ccccc1[N+](=O)[O-] 503580766 FNOLJSFCBJFYQD-HNNXBMFYSA-N 438.509 4.368 5 20 IIBD COc1ccc(-c2nc(C)c([C@H](C)NS(=O)(=O)c3ccccc3[N+](=O)[O-])s2)cc1 506253231 HLYAPKKLPQGURJ-ZDUSSCGKSA-N 433.511 4.075 5 20 IIBD CC(C)Cn1ncc(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C1CC1 506995839 WYBHCJQEGTYGAZ-UHFFFAOYSA-N 439.438 4.185 5 20 IIBD C[C@@H](NC(=O)COc1c([N+](=O)[O-])cnc2ccc(Br)cc12)c1cccs1 508163599 MNRQCNNQMQOABE-SNVBAGLBSA-N 436.287 4.223 5 20 IIBD C[C@H]1CCCN(C(=O)C2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)C1 509542457 NCOFOGGOTCWMDQ-INIZCTEOSA-N 428.558 4.189 5 20 IIBD C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 511561196 PEKIAUFPXSOTIY-CYBMUJFWSA-N 438.297 4.312 5 20 IIBD COC(=O)c1cnc(N2CCC(F)(c3ccccc3OC(F)(F)F)CC2)c([N+](=O)[O-])c1 513085350 ZUNMCCSYZRHRDC-UHFFFAOYSA-N 443.353 4.140 5 20 IIBD Cc1ccc(CNC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c(Oc2ccccc2)c1 513772114 VCHWMBAKMQVMTG-UHFFFAOYSA-N 440.477 4.029 5 20 IIBD C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 514227543 REVSAXOWGMGFQL-DIFFPNOSSA-N 426.803 4.452 5 20 IIBD CCOc1cc(C(=O)N2CCC(C(=O)c3ccc(C)cc3C)CC2)c([N+](=O)[O-])cc1OC 514497918 ZNKHTUXMNXTQGJ-UHFFFAOYSA-N 440.496 4.354 5 20 IIBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cccc(NC(=O)c2cccs2)c1 514864573 VHOWRXNWVQWBHN-UHFFFAOYSA-N 439.449 4.322 5 20 IIBD C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 515681648 NOJZHQKXGNWBQD-MRXNPFEDSA-N 445.541 4.039 5 20 IIBD COc1cc(C(=O)N[C@@H](C)Cc2ccsc2)c([N+](=O)[O-])cc1OCc1cscn1 517695571 OEYKVIIOGZOARD-LBPRGKRZSA-N 433.511 4.061 5 20 IIBD Cc1sc2ncnc(SCC(=O)Nc3cc(-c4cccc([N+](=O)[O-])c4)[nH]n3)c2c1C 523163128 DNPFURLRFCADSY-UHFFFAOYSA-N 440.510 4.337 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 524553615 PSSGNOUVUBIXCM-LLVKDONJSA-N 443.456 4.428 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 525354411 IYVHDLTWGVLBGU-UHFFFAOYSA-N 427.345 4.444 5 20 IIBD COc1ccc(CC(=O)Nc2cc(I)ccc2Cl)cc1[N+](=O)[O-] 532068586 GAPAZOTUZIFARE-UHFFFAOYSA-N 446.628 4.043 5 20 IIBD C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 532378198 QSAGOKXNTDSBIY-LBPRGKRZSA-N 449.298 4.230 5 20 IIBD Cc1c(NC(=O)C(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] 533325905 JPJUVUHAUQZPGO-UHFFFAOYSA-N 433.917 4.278 5 20 IIBD C[C@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1ccc(NC(=O)c2ccncc2)cc1 534247246 XEIITBJCKPNKDN-AWEZNQCLSA-N 429.436 4.214 5 20 IIBD C[C@@H](c1ccc(F)cc1F)N1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 534856007 AUEQCSGLKRGFKF-HNNXBMFYSA-N 428.439 4.407 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)[S@@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c(C)c1 536305568 SPSGLWNBFLFIRR-FOGNVHKLSA-N 427.482 4.143 5 20 IIBD Cc1ccc(Sc2ccc(CN3CCC(N(C)CCCO)CC3)cc2[N+](=O)[O-])cc1 536674288 WPPQVZAMMRISQE-UHFFFAOYSA-N 429.586 4.333 5 20 IIBD COc1cc(CN2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC 538798457 GGDRPCZDCGGKMB-CTNGQTDRSA-N 425.529 4.099 5 20 IIBD COc1cc([C@H](C)N[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc(OC)c1OC 540324427 QXEWGGAIOZDVIR-STQMWFEESA-N 428.445 4.082 5 20 IIBD CC[C@@H](CSc1ccccc1[N+](=O)[O-])Nc1cccc(N2CCC(C(N)=O)CC2)c1 540836472 FQOZOIYUUMANPF-KRWDZBQOSA-N 428.558 4.279 5 20 IIBD CCOc1cc(NC(=O)NCc2cn(C)nc2-c2ccccc2)c([N+](=O)[O-])cc1OCC 541065445 RRDNTWQDIWRKOI-UHFFFAOYSA-N 439.472 4.114 5 20 IIBD Cc1cc(C(=O)NCC(=O)N2C[C@H](C)C[C@H]2c2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] 541148324 WUDJKEQMGSPQLR-YJYMSZOUSA-N 449.429 4.262 5 20 IIBD O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 543184444 WSGYVGJVNAGVDO-XJKSGUPXSA-N 438.324 4.247 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 543491000 PGFBZQXOADTVFT-YADARESESA-N 430.479 4.330 5 20 IIBD C[C@@H](N[C@H](C)c1nc(-c2cccc(F)c2)no1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 543548698 XTVMEVAUQZJQCU-GHMZBOCLSA-N 433.827 4.115 5 20 IIBD O=C(N[C@@H](CCO)c1ccccc1Br)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 543833680 RKGITDDWNHSRMH-HNNXBMFYSA-N 447.207 4.230 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(-c3nc(CN(C)C(=O)c4ccccc4)no3)cc2[N+](=O)[O-])C1 546435280 SHHUDEJKCGIQJB-CALCHBBNSA-N 449.511 4.399 5 20 IIBD Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 552229039 MBLKQXVPLHRHCS-UHFFFAOYSA-N 435.278 4.320 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCC1(c2ccccn2)CCC1 552359976 CYJDJHVFVBHQCL-UHFFFAOYSA-N 425.432 4.339 5 20 IIBD C[C@H](Cc1cc(Br)ccc1F)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] 553651929 BYFKLQXWPSWBFS-CYBMUJFWSA-N 438.297 4.312 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 557024374 YVRCHTOPUKNPDU-IBGZPJMESA-N 429.542 4.162 5 20 IIBD CCS(=O)(=O)c1ccc([C@H](C)NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 557202987 IMKLSFAUWRILMM-ZDUSSCGKSA-N 445.522 4.003 5 20 IIBD CCCCc1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1C[C@@H]1CCCCO1 559191885 UWDGDQWELMVPHA-NRFANRHFSA-N 443.548 4.146 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1noc([C@@]23CCC[C@@H]2CN(Cc2ccccc2)C3)n1 570551193 YIIWJHXNUZSVST-NTKDMRAZSA-N 433.512 4.186 5 20 IIBD CCC[C@@]1(CO)CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C1 573259986 YTFJVLMXGIHLPB-JOCHJYFZSA-N 431.920 4.485 5 20 IIBD CCC[C@]1(CO)CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C1 573259987 YTFJVLMXGIHLPB-QFIPXVFZSA-N 431.920 4.485 5 20 IIBD O=C(c1sc2ccccc2c1Br)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 573851203 MKSXTDDKMKOYLD-LLVKDONJSA-N 447.314 4.294 5 20 IIBD O=C(CCCc1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1)c1ccc2c(c1)OCCO2 574942965 UZZCHMDKMHZHCC-UHFFFAOYSA-N 448.435 4.027 5 20 IIBD CSc1ccc(C(=O)N2CCC3(CCN(Cc4ccccc4)CC3)C2)cc1[N+](=O)[O-] 575010299 KFRVPWAKWFGYAX-UHFFFAOYSA-N 425.554 4.445 5 20 IIBD C[C@H](CN[C@@H](c1cccc([N+](=O)[O-])c1)c1nccn1C)Oc1ccccc1Br 579141489 RHZNNOAFCLBAFI-KUHUBIRLSA-N 445.317 4.237 5 20 IIBD CC(=O)NCC[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 580353908 LSZRQDZBRJJCMR-QGZVFWFLSA-N 427.526 4.124 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc(Oc3ccc(C)cc3OC)nc2)cc([N+](=O)[O-])c1 603623108 VXPODJWGACYDIO-UHFFFAOYSA-N 437.408 4.138 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCc2cccnc2OC(C)C)c([N+](=O)[O-])c1 603862231 BPTLFTOLYTWMBU-UHFFFAOYSA-N 449.463 4.407 5 20 IIBD O=C(NCCc1ccc(OCc2ccccc2)cc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 603909845 VSZBIWXUELXFTK-UHFFFAOYSA-N 442.475 4.332 5 20 IIBD COc1ccccc1CN(C(=O)Cn1ccc([N+](=O)[O-])n1)c1cc(Cl)cc(Cl)c1 603964349 FNUSUKAUHHIGIX-UHFFFAOYSA-N 435.267 4.340 5 20 IIBD COc1ccc([C@@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c2ccc(F)cc2)cc1 604385610 TWMBYBJDVFNAMW-QHCPKHFHSA-N 446.438 4.448 5 20 IIBD O=[N+]([O-])c1ccc(OCCCN2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 608832728 QFSLCMWZWRRAPV-QGZVFWFLSA-N 426.448 4.432 5 20 IIBD Cc1ccc(COc2ccc(C[C@H](C)NC(=O)CCn3cc([N+](=O)[O-])nc3C)cc2)cc1 608899675 CDBBHWOCOMXGHS-SFHVURJKSA-N 436.512 4.125 5 20 IIBD O=C(c1ccc(C(=O)N2CCC[C@H]2C2CCC2)c([N+](=O)[O-])c1)N1CCC[C@H]1C1CCC1 609114074 GRLILTCNFWWIMS-SFTDATJTSA-N 425.529 4.404 5 20 IIBD COc1cc(C(=O)NCc2cccc(CO)c2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 609203385 VNHJGZLXLYRYRN-UHFFFAOYSA-N 442.855 4.471 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCC1CCC(c2ccccc2)CC1 609373795 GFYJALOBLQUMCC-UHFFFAOYSA-N 437.496 4.373 5 20 IIBD O=C(CCn1ccnc1)Nc1cccc(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)c1 609859153 MDPDHNDEYNKKSQ-UHFFFAOYSA-N 447.495 4.410 5 20 IIBD CSc1ccc(NC(=O)Cn2cc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)cn2)cc1 609881384 JAEAMYUHEYLXNE-UHFFFAOYSA-N 445.888 4.058 5 20 IIBD CC(C)[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1Br)c1ccc(F)cc1 609961689 GOPBINOGXZDFRA-SFHVURJKSA-N 425.254 4.389 5 20 IIBD C[C@H]1CCCN(Cc2csc(NC(=O)c3ccc([N+](=O)[O-])cc3Br)n2)C1 610061724 WWRYUUQLJOXFBH-NSHDSACASA-N 439.335 4.298 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(NC[C@H]3CCCO3)c(F)c2)cc1SC 610069484 NMHBCHLNEPNQSQ-CYBMUJFWSA-N 435.477 4.308 5 20 IIBD CCOc1cc(NC(=O)N2CCC3(CC2)OCc2ccccc23)c([N+](=O)[O-])cc1OCC 610742204 JNWUKLFPIXPXTB-UHFFFAOYSA-N 441.484 4.446 5 20 IIBD C[C@H](c1ccccc1)n1ccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 610745402 JQAVGCUSCSDLRZ-QGZVFWFLSA-N 435.484 4.476 5 20 IIBD CCOc1cc(NC(=O)N2CC[C@H](Oc3cccc(F)c3)C2)c([N+](=O)[O-])cc1OCC 612295186 XYLGFZHYIWWLHU-INIZCTEOSA-N 433.436 4.217 5 20 IIBD CCOC(=O)c1sc(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])nc1C 618584982 DXMRQEOETPAUAG-UHFFFAOYSA-N 440.350 4.198 5 20 IIBD COc1ccc(CC(=O)O[C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc23)cc1[N+](=O)[O-] 727888100 SNAFYTTVJKSIKK-HOTGVXAUSA-N 436.464 4.108 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)O[C@@H]2CCc3ccc(Cl)cc32)ccc1[N+](=O)[O-] 727961402 MMDGDMVPIUPVNM-VQTJNVASSA-N 428.872 4.392 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)cc2)cc1SC 728471734 XQTXTSXYTVOMRA-OKILXGFUSA-N 431.514 4.191 5 20 IIBD COc1cc(NC(=O)C(C)(C)C)c(C(=O)OCc2c(F)cccc2[N+](=O)[O-])cc1OC 728987032 TWTXQSOVJBVUTA-UHFFFAOYSA-N 434.420 4.093 5 20 IIBD CC1CCC(N(C(=O)COC(=O)c2ccc(Br)c([N+](=O)[O-])c2)C2CC2)CC1 733372899 CCBFVLNWKAFNIT-UHFFFAOYSA-N 439.306 4.084 5 20 IIBD CC(C)Oc1ccc([C@@H](O)CNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1 734832524 KBCKSOUYXMFUKX-INIZCTEOSA-N 429.351 4.455 5 20 IIBD Cc1cccc(C(C)C)c1NC(=O)[C@H](C)OC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 735354067 GYOJQQUCTSJCCS-AWEZNQCLSA-N 437.452 4.464 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 737792180 IFSUMTMVLKOJTH-JOCHJYFZSA-N 433.464 4.221 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(OC(=O)[C@@H](Cc2ccccc2)C(C)C)c([N+](=O)[O-])c1 740534924 JFLPXFZRVYEFMT-IBGZPJMESA-N 448.541 4.046 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1)[C@@H]1CCOC1 741961253 CDOBGFXLKOFASB-GHTZIAJQSA-N 437.540 4.209 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1F 742028342 GZXSAPGMUMSYKM-ZDUSSCGKSA-N 449.504 4.024 5 20 IIBD COc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)N2CCCCC2)cc1 742257117 OEJBYYWIJTVYNZ-QFIPXVFZSA-N 440.500 4.199 5 20 IIBD CCOc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 744554074 KVDKPJTYFXVOJN-MRXNPFEDSA-N 441.484 4.168 5 20 IIBD C[C@@H]1CCN(C(=O)COC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c2ccccc2S1 744616594 TZCKTDIPZSHQSB-OAHLLOKOSA-N 439.493 4.010 5 20 IIBD C[C@@H](OC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(=O)Nc1ccc(C(C)(C)C)cc1 744736532 OYUHXZGBVLAUJV-OAHLLOKOSA-N 436.468 4.262 5 20 IIBD COc1ccc(OCCOC(=O)c2c[nH]cc2-c2cnn(-c3ccccc3)c2)c([N+](=O)[O-])c1 744851291 JOSXNBDFOIBIHV-UHFFFAOYSA-N 448.435 4.020 5 20 IIBD C[C@@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)NCc1ccccc1Cl 747958474 OVAZKMWMWHGHFE-GFCCVEGCSA-N 445.884 4.233 5 20 IIBD C[C@@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1NC(=O)c1ccccc1 748010801 CEUJLTUEXQBDAF-CQSZACIVSA-N 434.404 4.494 5 20 IIBD Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])C2)cc1 749956043 UYWBMCKUIKGGDB-HNNXBMFYSA-N 430.892 4.231 5 20 IIBD COc1cc(Cl)c(Cl)cc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 750442317 UWNPFPKBWZWCTF-UHFFFAOYSA-N 433.631 4.359 5 20 IIBD O=C(OCc1nnc(-c2ccc(Br)s2)o1)c1cccc(Cl)c1[N+](=O)[O-] 750536158 XJBRAIJZYMBNOH-UHFFFAOYSA-N 444.650 4.479 5 20 IIBD O=C(NC[C@H](O)c1ccc(Cl)cc1)c1cc(Br)cc([N+](=O)[O-])c1Cl 750842865 CMFTWFATPFTINK-ZDUSSCGKSA-N 434.073 4.128 5 20 IIBD Cc1ccc([C@H](NC(=O)COC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])c2cccs2)cc1 752556752 GSBZJSWEBLITGS-FQEVSTJZSA-N 442.468 4.475 5 20 IIBD COc1cccc(-c2nc(COC(=O)c3c(F)ccc([N+](=O)[O-])c3F)cs2)c1OC 752560990 ZTHIHYRMDKANQX-UHFFFAOYSA-N 436.392 4.371 5 20 IIBD COc1cc([C@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1SC(F)F 757676198 RUDISYWTKKJSRK-LBPRGKRZSA-N 446.497 4.043 5 20 IIBD Cc1cccc(Cl)c1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Br 757695615 CQRGCNALRKDXFD-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD O=C(OCC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)c1ccc(F)cc1[N+](=O)[O-] 758114953 VAGRWJIVMQTWMD-NRFANRHFSA-N 440.452 4.127 5 20 IIBD Cc1ccc([C@@H](NC(=O)COC(=O)c2ccc(F)cc2[N+](=O)[O-])c2cccs2)cc1 758119551 YYLSSSKIZZWREF-HXUWFJFHSA-N 428.441 4.166 5 20 IIBD O=C(COC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccccc1SC(F)F 758738759 YAHFFPRBGJMGFU-UHFFFAOYSA-N 435.408 4.115 5 20 IIBD Cc1ccc(C(=O)O[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1NC(=O)NC(C)(C)C 759928108 GPONIQDDBBTDBR-ROUUACIJSA-N 443.504 4.360 5 20 IIBD O=C(c1cccc(C(F)(F)F)c1)N1CCN(c2ccc([N+](=O)[O-])cc2OC(F)F)CC1 760475058 BDJPJQLTDMLINN-UHFFFAOYSA-N 445.344 4.177 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1noc(Cn2c(SC(F)F)nc3ccccc32)n1 761968005 GNSSAUZXNYZIJE-UHFFFAOYSA-N 446.439 4.345 5 20 IIBD C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 762560032 QPRAMOJOTRTHOP-ZDUSSCGKSA-N 431.876 4.045 5 20 IIBD COc1cccc(C(=O)Oc2ccc(C(=O)N3CCc4sccc4C3)cc2)c1[N+](=O)[O-] 766635339 WZTKJCGWBHGPSW-UHFFFAOYSA-N 438.461 4.083 5 20 IIBD C[C@H](OC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 766777818 AOOINTOTHHXOPR-KPXOXKRLSA-N 442.777 4.339 5 20 IIBD CCn1c(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)nc2cc(Br)ccc21 768909555 LWSBHZLXTZVEKT-UHFFFAOYSA-N 448.233 4.196 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N2Cc3cccc(Br)c3C2)cc1[N+](=O)[O-] 770297083 YRGRVMGKKKQVDN-UHFFFAOYSA-N 431.695 4.024 5 20 IIBD CCCCn1cc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c(C)n1 770493298 BYHHSQCIYNHXAZ-GFCCVEGCSA-N 442.394 4.103 5 20 IIBD Cc1nc(NCC(=O)NCCc2ccccc2[N+](=O)[O-])c2cc(-c3ccccc3)sc2n1 770991937 NVOYLJABXYQFRW-UHFFFAOYSA-N 447.520 4.346 5 20 IIBD CN(C)C(=O)Nc1ccc(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)c(Cl)c1 772143856 UWIHPSBCEMFKOO-UHFFFAOYSA-N 444.831 4.354 5 20 IIBD O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(-c2cncnc2)cc1F 773465104 GYAAZWPHKOSBPL-UHFFFAOYSA-N 432.205 4.310 5 20 IIBD C[C@@H](OC(=O)C(C)(C)C1CCC(O)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 773484806 BYSMHVGKIJAWGM-LKSINWNRSA-N 446.422 4.061 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 780681647 PCIKBTCNTOLWSD-QGZVFWFLSA-N 432.521 4.058 5 20 IIBD O=C(NOCc1ccc(F)cc1Br)c1cc(Br)cc([N+](=O)[O-])c1 781119795 MMIWPKDPHXWMJH-UHFFFAOYSA-N 448.042 4.121 5 20 IIBD O=C(NCc1ccc(N2CCCCCC2)nc1)c1cccc([N+](=O)[O-])c1Br 782166006 DJZBNDVMPLOTGY-UHFFFAOYSA-N 433.306 4.063 5 20 IIBD CCN(C(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1Br)C1CCCCC1 783764184 LAJQQTKKUVEBHF-LBPRGKRZSA-N 427.295 4.084 5 20 IIBD COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 787985410 CZSCJUVINVAJSQ-JTQLQIEISA-N 437.836 4.439 5 20 IIBD Cc1nn(Cc2ccc(C(=O)O[C@@H](c3ccccc3)c3ccnn3C)cc2)c(C)c1[N+](=O)[O-] 788390234 YMVVWILELYQJEF-QHCPKHFHSA-N 445.479 4.136 5 20 IIBD C[C@H](OC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(=O)c1ccccc1C(F)(F)F 789022159 BQJIULMZPMVLRG-LBPRGKRZSA-N 433.342 4.228 5 20 IIBD CC(C)(C)OC(=O)N1C[C@@H]2CN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]2C1 796032167 UUYOKMJERDWGGK-IYBDPMFKSA-N 430.530 4.017 5 20 IIBD COc1c(C(=O)O[C@@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)cccc1[N+](=O)[O-] 796308078 CDGHESGQPWNINM-MRXNPFEDSA-N 440.374 4.442 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)O[C@H]2CCCc3ccc(F)cc32)cc1[N+](=O)[O-] 797240755 LKWHFPUMGCDYJL-KRWDZBQOSA-N 428.445 4.248 5 20 IIBD C[C@@H](OC(=O)[C@@H](C)Sc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 799842327 BQRYXFNHOKXLMH-GHMZBOCLSA-N 426.853 4.438 5 20 IIBD CC[C@@](O)(C(=O)OCc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])c1cccc(Cl)c1 800321216 OVXPUGXFVKZRCC-IBGZPJMESA-N 445.802 4.199 5 20 IIBD CCN(CC)Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 801427792 LEUCLMZVLHNCLU-AWEZNQCLSA-N 433.892 4.274 5 20 IIBD Cc1ccc(-c2csc(COC(=O)c3cc([N+](=O)[O-])ccc3SCCO)n2)cc1 803413709 VCGMIGHIWJNCAT-UHFFFAOYSA-N 430.507 4.468 5 20 IIBD O=C(Nc1ccccc1OS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C1CC1 809817535 DWCWCRAUZDFTBM-UHFFFAOYSA-N 431.253 4.018 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OCc2csc3nccn23)cc1 811070582 CLAYOFIUJWNQJJ-UHFFFAOYSA-N 425.422 4.462 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](c2ccc(F)cc2)CC1 812078478 HQAPHBBTVZGGCQ-QGZVFWFLSA-N 439.491 4.413 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3Cl)cc2)c(C)c1[N+](=O)[O-] 813244199 QVSSUBCKUOXXNB-UHFFFAOYSA-N 429.820 4.270 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@H](O)c2ccc(Cl)cc2)cc1[N+](=O)[O-])c1ccccn1 817091229 DLECGEYEOMSSOL-QKKBWIMNSA-N 440.887 4.280 5 20 IIBD C[C@@H](OC(=O)COc1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 830306243 AYDKDYVLXOOCLI-MRXNPFEDSA-N 436.420 4.336 5 20 IIBD O=C(COC(=O)c1ccc(CN2CCCCC2)cc1)Nc1cc(Cl)ccc1[N+](=O)[O-] 913239300 HUNKZWVDJOXHMD-UHFFFAOYSA-N 431.876 4.030 5 20 IIBD O=C(OCc1ccccc1[N+](=O)[O-])c1ccc(C(=O)OCc2ccccc2[N+](=O)[O-])s1 913271233 JHMNHYDVWZKGLU-UHFFFAOYSA-N 442.405 4.279 5 20 IIBD C[C@H](OC(=O)CCOc1cccc([N+](=O)[O-])c1)C(=O)Nc1nc(-c2ccccc2)cs1 915447849 FZLXHCOHHOLMPM-AWEZNQCLSA-N 441.465 4.058 5 20 IIBD C[C@]1(c2cc3ccccc3o2)NC(=O)N(Cc2c(Br)cccc2[N+](=O)[O-])C1=O 915662388 ADKJIAZPWGAEPW-LJQANCHMSA-N 444.241 4.071 5 20 IIBD COc1ccc2ccc(OS(=O)(=O)c3cc(Br)ccc3[N+](=O)[O-])cc2c1 917856212 UNGUPGYSJSSRQF-UHFFFAOYSA-N 438.255 4.287 5 20 IIBD O=C(COC(=O)CSc1ccccc1[N+](=O)[O-])N[C@H](c1ccccc1)C1CCCC1 918832977 DDIWDQYXCDKWBU-JOCHJYFZSA-N 428.510 4.278 5 20 IIBD Cc1ccc(C2=NN(C(=O)COC(=O)c3csc([N+](=O)[O-])c3)[C@@H](c3ccco3)C2)cc1 919371932 UJGSMYNIZATGTM-QGZVFWFLSA-N 439.449 4.092 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1I)c1ccccc1[N+](=O)[O-] 920267128 GSJRJCWMSBJORW-VIFPVBQESA-N 442.165 4.026 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CSc3ccc(S(=O)(=O)C(F)(F)F)cc3)o2)cc1 1116197801 JAOSAQNXTNVZIK-UHFFFAOYSA-N 445.400 4.231 5 20 IIBD CCOc1cc(NC(=O)NCc2ccc(NC(=O)C3CC3)cc2)c([N+](=O)[O-])cc1OCC 1248648941 KGJQLAARJCSROM-UHFFFAOYSA-N 442.472 4.062 5 20 IIBD Cc1ccc(Cn2ncc3c(C(=O)N4CCc5cc([N+](=O)[O-])ccc54)cc(C)nc32)cc1 1317731459 VFAZBUZDOXYSGW-UHFFFAOYSA-N 427.464 4.208 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)nc(C)c1Br 1320829600 ZYCXDCATDMIPAA-UHFFFAOYSA-N 429.068 4.384 5 20 IIBD O=C(NCc1cccc(OCC(F)(F)F)n1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 1326622455 AIKAREJTCKOMRW-UHFFFAOYSA-N 438.284 4.271 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(Cc3ccc(NS(=O)(=O)c4cccs4)cc3)o2)c1 1341253256 OVFFZJUDLTXHPT-UHFFFAOYSA-N 442.478 4.098 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)NC1(c2ccc(NC(=O)COC(C)C)cc2)CCC1 1785920951 LZVFENFAJGZILJ-UHFFFAOYSA-N 443.475 4.215 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@@H]3C[C@H]3C3CC3)cc2)CCC1)c1ccc(O)c([N+](=O)[O-])c1 1786056788 NBKKILFMVWIWLR-RBUKOAKNSA-N 435.480 4.094 5 20 IIBD CC(F)(F)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc([N+](=O)[O-])cc3F)CCC2)cc1 1787935748 ZOMYIALWUCSFGT-UHFFFAOYSA-N 435.402 4.066 5 20 IIBD CCCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)sc2C1 1824425437 SJDJWQVTDKACGT-GFCCVEGCSA-N 444.538 4.292 5 20 IIBD CC(C)=CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 1830707759 VLSDXFRLXODSKN-JOCHJYFZSA-N 443.544 4.280 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC(C)C)CC1 1831382618 WZQWHXGRQSVYSL-HXUWFJFHSA-N 445.560 4.278 5 20 IIBD C[C@@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)N1CCCc2ccccc21 10722805 JVOGUGCSXVNAGB-GOSISDBHSA-N 440.499 4.066 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 17706426 HPOAXWHEXIINLD-OAHLLOKOSA-N 433.424 4.365 5 20 IIBD C[C@@H](Sc1nnc(C2CC2)n1Cc1ccco1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 21449864 BQDIWMQRZRNIHP-LLVKDONJSA-N 447.904 4.478 5 20 IIBD O=[N+]([O-])c1cc2c(c(CSc3nnc(COc4ccc(Cl)cc4)o3)c1)OCOC2 24635175 BPRUUEHARQAHFZ-UHFFFAOYSA-N 435.845 4.369 5 20 IIBD CCOc1cc(C(=O)O[C@@H](C)c2nnc(-c3cccc(C)c3)o2)c([N+](=O)[O-])cc1OC 28000913 JVMXLVMNOWLHIE-ZDUSSCGKSA-N 427.413 4.279 5 20 IIBD Cc1ccc(C)c(C(=O)c2ccccc2C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 28609380 URDCYLPKHFLAFK-UHFFFAOYSA-N 432.432 4.238 5 20 IIBD COC(=O)c1cc(C(=O)NCc2ccc(OCc3cccc(F)c3)cc2)cc([N+](=O)[O-])c1 30295734 FHYJPCPHGNRUNJ-UHFFFAOYSA-N 438.411 4.030 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2ccc(N3CCCC3)nc2)cc1 30634063 GITOGALPHYLZCX-UHFFFAOYSA-N 448.479 4.321 5 20 IIBD CC(C)[C@H](C)N(C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C1CC1 58262981 XKEFLJUJMKAVBK-HNNXBMFYSA-N 431.514 4.045 5 20 IIBD O=C(NCc1cccc(Cn2cnc3ccccc32)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 63677336 GKHHFCBTBFPNPZ-UHFFFAOYSA-N 425.448 4.404 5 20 IIBD CC(C)(C)NS(=O)(=O)c1ccccc1CNc1ccc([N+](=O)[O-])cc1C(F)(F)F 64947792 ZNHJUPFIYHFVCV-UHFFFAOYSA-N 431.436 4.303 5 20 IIBD COc1cc([N+](=O)[O-])ccc1OCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 72068052 QYHHVBQDNWSLPQ-OAHLLOKOSA-N 427.438 4.015 5 20 IIBD Cc1cccc(NC(=O)Nc2cccc(CNC(=O)COc3ccccc3[N+](=O)[O-])c2)c1 108043338 TULVSTNLPKBXCE-UHFFFAOYSA-N 434.452 4.242 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)S(=O)(=O)c1ccccc1 217501020 ICCLSHKIXUNRNR-LJQANCHMSA-N 430.869 4.402 5 20 IIBD C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1cccc(C(F)(F)F)c1 303415897 BFIZELGVCJUBBC-SMDDNHRTSA-N 441.431 4.157 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc1OC 426276462 JVHOFHYICSHVRY-UHFFFAOYSA-N 448.888 4.350 5 20 IIBD COc1cc(Cl)c(CN[C@@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)O)cc1Cl 426735699 UTNCPTGDIXLTOZ-KRWDZBQOSA-N 438.267 4.177 5 20 IIBD CN(C(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)[C@H](c1ccc(Cl)cc1)c1cnccn1 427457659 VEFHMHXPDGUUKA-OAQYLSRUSA-N 449.854 4.154 5 20 IIBD CC(C)CC(=O)N[C@H](C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1 427596831 ODAVGXPSHVAYHA-IBGZPJMESA-N 437.418 4.133 5 20 IIBD O=[N+]([O-])c1cccc(F)c1COc1c(Br)cc(CCO)cc1Br 429327837 NRCLWYAWDXUSAC-UHFFFAOYSA-N 449.070 4.373 5 20 IIBD Cc1c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cccc1N1CCNC1=O 429631164 ZPAMBLADADGGCU-UHFFFAOYSA-N 430.464 4.280 5 20 IIBD CCC(CC)n1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 432236809 BTAQJQVPZWXBHX-UHFFFAOYSA-N 439.438 4.134 5 20 IIBD CCc1nc(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)cs1 435484648 XMZQWPQFAPYFLG-UHFFFAOYSA-N 448.551 4.081 5 20 IIBD CSCC[C@H](C)N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435499692 HCLQQDRNSUKOPM-LBPRGKRZSA-N 439.584 4.346 5 20 IIBD O=C(NCc1nc(-c2ccncc2)cs1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436345953 QZAYEXQYRWHVDU-UHFFFAOYSA-N 448.454 4.408 5 20 IIBD COc1cccc(N2CC[C@H](CNC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)C2)c1 436359239 DOYOARUKHPWGJL-MRXNPFEDSA-N 445.494 4.085 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 441079938 OHCWWXMDFVTSRN-NEPJUHHUSA-N 428.436 4.277 5 20 IIBD COCC[C@H](NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1ccc(C)o1 444292844 SZOQNWSNNIEFKN-SFHVURJKSA-N 426.419 4.369 5 20 IIBD COc1cccc([C@H]2[C@H](c3nc(-c4ccc(C)c([N+](=O)[O-])c4)no3)CC(=O)N2C2CC2)c1 445214485 YRAMLIWYRAERTJ-NQIIRXRSSA-N 434.452 4.181 5 20 IIBD O=C(c1cnn(-c2ccccc2F)c1C(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc2C1 446421677 YATGIRHIEMWLAS-UHFFFAOYSA-N 434.349 4.137 5 20 IIBD C[C@@H]1CN(c2cccc3cnccc23)CCN1[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 447400885 SURMXPFFWYMMRF-IAGOWNOFSA-N 444.495 4.465 5 20 IIBD Cc1nc(-c2ccc(CNS(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])o2)cs1 462453836 VINZGEONWWWYPE-UHFFFAOYSA-N 448.309 4.405 5 20 IIBD COc1cc([C@H](C)Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)cc(OC)c1OC 462482919 INBOFQVSGQUWFY-HNNXBMFYSA-N 439.468 4.768 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCc1nc(-c2ccc(F)cc2)no1 462622263 JQFCDXIBIPNPFE-MRXNPFEDSA-N 426.448 4.102 5 20 IIBD O=C(N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1(c2cccc(Br)c2)CC1 464631280 NOHJFLNTVJAUML-UHFFFAOYSA-N 445.313 4.459 5 20 IIBD COc1ccc([C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)c2ccccc2Cl)c(C)c1 464634772 STNRUSQCOQYOBJ-OAQYLSRUSA-N 428.876 4.058 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CCCC3(CCCCCC3)C2)cc1[N+](=O)[O-] 464671683 QEAYETTZZXHOFQ-UHFFFAOYSA-N 429.546 4.451 5 20 IIBD CCOc1cc(NC2CCN(C(=O)c3cc4ccccc4c4cccnc34)CC2)ncn1 466850920 BYIRKPHUYCWAHK-UHFFFAOYSA-N 427.508 4.293 5 20 IIBD COc1ccc(N(Cc2ccco2)S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1F 466955175 NHZZRJCIHZCBJV-UHFFFAOYSA-N 426.447 4.101 5 20 IIBD Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1Br 468998089 QEECCFUZOGXQKH-UHFFFAOYSA-N 439.209 4.485 5 20 IIBD Cc1nc2ccc(Br)cn2c1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 475117927 MQBQLGGDSCUDPC-UHFFFAOYSA-N 431.290 4.364 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 475569828 QYBJLXUXJQEQBN-ROUUACIJSA-N 426.517 4.143 5 20 IIBD COC(=O)[C@H](C)NC(=O)c1ccc(N[C@H](C)c2oc3ccccc3c2C)c([N+](=O)[O-])c1 477785317 DDTWQLKLWVFBSJ-KGLIPLIRSA-N 425.441 4.114 5 20 IIBD CC(C)(C)NC(=O)N1CCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 480756183 OFAJGBRQLJMRMX-UHFFFAOYSA-N 441.488 4.045 5 20 IIBD C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)Oc1ccccc1Br 482811365 SUONUOSUVBGDHT-LLVKDONJSA-N 427.682 4.137 5 20 IIBD CCC[C@@H](C)N(C(=O)c1cccc([N+](=O)[O-])c1OC)c1nc(C)c(C(=O)OCC)s1 483623344 VNJJCIFBYQVCDW-GFCCVEGCSA-N 435.502 4.380 5 20 IIBD CSc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)N2CCc3sccc3C2)cc1 484773521 BCORJTHLHNHXLT-GOSISDBHSA-N 442.566 4.236 5 20 IIBD C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 484978506 HAEPSCQPNNGMDN-LIRRHRJNSA-N 449.429 4.343 5 20 IIBD O=C(Nc1ccnn1-c1cccc(Cl)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 485895499 UFOYUQAPRPQAMW-UHFFFAOYSA-N 425.876 4.289 5 20 IIBD O=C(NCCc1nnc2n1CCCCC2)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 486857319 YVRQDGVIRAKACY-UHFFFAOYSA-N 437.525 4.036 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3nc(-c4nccn4C)cs3)cc2[N+](=O)[O-])C1 488978316 KKIHTCUWULRILE-KBPBESRZSA-N 440.529 4.186 5 20 IIBD CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1Cl 491579547 RSSVKVNYINMEBR-UHFFFAOYSA-N 439.921 4.148 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cc(C(F)(F)F)cnc1O 499560006 OUXDLFLCEGXFBV-UHFFFAOYSA-N 438.284 4.174 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(NC(=O)CN2CCCCCC2)cc1 500022574 CIRJUQIWOMAZNJ-UHFFFAOYSA-N 442.541 4.140 5 20 IIBD CCOc1cc(C(=O)N(C)Cc2csc(Br)c2)c([N+](=O)[O-])cc1OC 500558402 QKMGXXAQQGBWQT-UHFFFAOYSA-N 429.292 4.098 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cnc(-c4cccc(O)c4)nc3)cc2[N+](=O)[O-])C1 503096993 TXJPITMRALYXDE-HOTGVXAUSA-N 447.495 4.492 5 20 IIBD CCOc1cc(NC(=O)NCCc2nc3ccccc3s2)c([N+](=O)[O-])cc1OCC 503900879 GQVUHKDIPDZCFZ-UHFFFAOYSA-N 430.486 4.366 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(COc3ccc(-c4noc([C@H]5CCCO5)n4)cc3)n2)cc1 504490106 UGGGXMXPVDMEHL-QGZVFWFLSA-N 435.396 4.125 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(C(=O)CC2CCCC2)CC1 505752502 GEJILJCIRKGRIP-UHFFFAOYSA-N 433.574 4.352 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1Oc1ccccc1Cl 506367136 BORSBBUBOXAYRE-UHFFFAOYSA-N 439.855 4.338 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCCN(CC3CCC3)CC2)cc1[N+](=O)[O-])c1ccccn1 508041708 MHJWDTIBONRYQY-SFHVURJKSA-N 437.544 4.111 5 20 IIBD CC[C@]1(c2ccc(NC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)cc2)CCC(=O)NC1=O 509372843 NRDQYUQAHCZEGH-XMMPIXPASA-N 437.496 4.229 5 20 IIBD COc1ccc(CSCC(=O)N2CCCc3cc(OC(F)F)ccc32)cc1[N+](=O)[O-] 509658591 QRGFRSHJRQJYEH-UHFFFAOYSA-N 438.452 4.417 5 20 IIBD Cc1ccc(S(=O)(=O)NCc2nc(-c3ccc(Cl)cc3)c(C)s2)c([N+](=O)[O-])c1 509790464 QKPHPNOXODSHNU-UHFFFAOYSA-N 437.930 4.467 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1[N+](=O)[O-] 509830810 QEBJWAIPTYFNPK-UHFFFAOYSA-N 446.301 4.157 5 20 IIBD CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)s1 513039998 FGKRABXCGBVCSZ-CHWSQXEVSA-N 445.570 4.490 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3ccncc3)c(Cl)c2)cc1[N+](=O)[O-] 513573868 YQWLXZGUXHGXMC-UHFFFAOYSA-N 447.856 4.091 5 20 IIBD COc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 517184054 KRUVXQGAAVXNJY-OAHLLOKOSA-N 435.436 4.212 5 20 IIBD CCCc1n[nH]c(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1[N+](=O)[O-] 517624813 JFUDWQMUYJVSNE-UHFFFAOYSA-N 427.848 4.428 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)cn2)cc1C 518266531 PWQNUZJLKWJADJ-UHFFFAOYSA-N 434.452 4.158 5 20 IIBD COc1cc(OCC(=O)Nc2nc(-c3ccc(SC)cc3)cs2)ccc1[N+](=O)[O-] 519974339 UICGBYKCTLUGFO-UHFFFAOYSA-N 431.495 4.466 5 20 IIBD COc1cccc(Nc2nnc(S[C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)s2)c1 520968948 WFJLFJCQGLOONY-INIZCTEOSA-N 443.510 4.096 5 20 IIBD O=C(NCCCNc1ccc([N+](=O)[O-])c2cccnc12)c1ccc(Br)cc1 522622486 VOORIKBZTOYQKG-UHFFFAOYSA-N 429.274 4.138 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cc(Cl)cc([N+](=O)[O-])c1 522885706 NZSQLPBGCJRYCQ-UHFFFAOYSA-N 437.905 4.065 5 20 IIBD C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 524571065 HZUUEJVNMZDFEL-WIYYLYMNSA-N 446.507 4.061 5 20 IIBD C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 524654145 ROAYGOADTUKZEI-KZULUSFZSA-N 437.315 4.399 5 20 IIBD CCc1noc(CC)c1CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 531036584 QZMJITURPNTPQD-UHFFFAOYSA-N 438.271 4.130 5 20 IIBD NC(=O)CCOc1ccccc1NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 532729143 SIVUTKJCPUFTRN-UHFFFAOYSA-N 425.416 4.393 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCC1(c2cccc(Cl)c2)CCOCC1 534645519 AOCBXIDJVJWJGO-UHFFFAOYSA-N 427.888 4.137 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 538239744 DBOAZZKGJCDVOW-BKGUAONASA-N 425.268 4.315 5 20 IIBD COc1cc(NCc2ccc(C(C)C)c([N+](=O)[O-])c2)ccc1S(=O)(=O)N1CCCC1 538862565 MYUXKBRLNLNXQL-UHFFFAOYSA-N 433.530 4.123 5 20 IIBD O=C(CNC1(c2ccc3c(c2)OCCO3)CCCC1)Nc1ccc([N+](=O)[O-])cc1Cl 539241706 FPAAZMCTNNBXOB-UHFFFAOYSA-N 431.876 4.017 5 20 IIBD Cc1ccc([C@H](C)NCc2noc(Cc3ccc(Br)cc3)n2)cc1[N+](=O)[O-] 539378469 BTUSQXMLSGFDIT-ZDUSSCGKSA-N 431.290 4.490 5 20 IIBD COc1ccc(NC(=O)c2ccc(OCc3cn4cc(C)ccc4n3)cc2)cc1[N+](=O)[O-] 542075118 QDKDTACTSPODST-UHFFFAOYSA-N 432.436 4.391 5 20 IIBD C[C@@H](CN(C)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1nccs1 542348054 FXONNZFKKJBOIQ-GJZGRUSLSA-N 425.514 4.495 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCOC[C@@H]2c2noc(C(C)C)n2)cc1OC 543430728 UGUSDDWPNCKDRU-MAUKXSAKSA-N 448.520 4.108 5 20 IIBD COc1ccc2oc([C@@H](C)N[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)c(C)c2c1 544482013 JMLKSXSVISSNDF-ZIAGYGMSSA-N 427.457 4.344 5 20 IIBD CCN1CCN(c2ccc(-c3noc([C@@H](C)Sc4ccc([N+](=O)[O-])cc4)n3)cn2)CC1 547099066 VTBLLXXBPDDSOM-OAHLLOKOSA-N 440.529 4.035 5 20 IIBD COc1ccc2c(c1)C[C@@H](c1nc(Cc3ccc([N+](=O)[O-])cc3Br)no1)CO2 547176555 MBAXLXODHGMFJU-CYBMUJFWSA-N 446.257 4.058 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 552265599 GCQBCCYYKCHUGE-QFIPXVFZSA-N 431.492 4.157 5 20 IIBD NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 557693367 MPIHOAUTEVFETE-LSDHHAIUSA-N 429.420 4.009 5 20 IIBD C[C@H](C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1)c1cccc([N+](=O)[O-])c1 558690392 DTDYNCYZNFFFGN-GJZGRUSLSA-N 432.318 4.104 5 20 IIBD Cc1ccoc1CN(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 560119123 WYUCBGNYNLBLPA-UHFFFAOYSA-N 431.495 4.306 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@@H](C)c2c(F)cncc2F)cc1[N+](=O)[O-])c1ccccn1 561471755 ZTMLGMOCOYDIHR-STQMWFEESA-N 427.411 4.327 5 20 IIBD CC(C)(NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1[N+](=O)[O-] 561690429 KYDHQVNKYJSIHZ-UHFFFAOYSA-N 436.434 4.277 5 20 IIBD COc1cc(Cc2noc(-c3ccc(OC)c(-c4ccccn4)c3)n2)c([N+](=O)[O-])c(OC)c1 562562536 CVLRGGGHOWKJPS-UHFFFAOYSA-N 448.435 4.323 5 20 IIBD C[C@H](C(=O)Nc1cc(F)c(F)cc1I)c1cccc([N+](=O)[O-])c1 567445995 JLDGJMCHKCOXOK-QMMMGPOBSA-N 432.164 4.220 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](OCC1CC1)c1ccc(Cl)cc1 572533702 VWYJCTYHEYBAAC-HXUWFJFHSA-N 445.903 4.033 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCc2c(nnn2-c2ccccc2)C1 577764088 LQWGKBKGPFYXDA-UHFFFAOYSA-N 441.447 4.166 5 20 IIBD Cc1c(C(=O)Nc2cccc(Cl)c2OCC(F)F)nnn1-c1cccc([N+](=O)[O-])c1 581750866 AHOIKWRZBPRQQC-UHFFFAOYSA-N 437.790 4.034 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C2(S(=O)(=O)c3ccc(F)cc3)CCCCC2)cc1[N+](=O)[O-] 582025917 JPZZLPDBQWMSRD-MRXNPFEDSA-N 448.516 4.396 5 20 IIBD O=C(Cc1coc2ccc3ccccc3c12)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 582262929 XQCKSAIAIMMVGD-UHFFFAOYSA-N 443.459 4.021 5 20 IIBD O=C(NCC(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1)NCc1ccc([N+](=O)[O-])cc1 582688625 IONWCAVQTZUGOA-HXUWFJFHSA-N 444.919 4.191 5 20 IIBD O=C(c1c(O)cnc2ccc(Cl)cc12)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 582797972 XJEAIYLAYHXEEB-UHFFFAOYSA-N 427.844 4.186 5 20 IIBD COc1ccc([C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C(C)C)cc1 585756808 YBZOZVKUXBEWNO-HXUWFJFHSA-N 427.501 4.353 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@@H]2CC[C@](O)(C(F)(F)F)C2)cc1 589938166 HVUAGCAMHCIKCI-DYESRHJHSA-N 446.429 4.383 5 20 IIBD C[C@H](C(=O)Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2)c1cccc([N+](=O)[O-])c1 590520616 XPENDQYGLARNMP-KRWDZBQOSA-N 429.476 4.469 5 20 IIBD Cc1ccccc1CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 603820759 ZGTBKGOEWPTUNF-UHFFFAOYSA-N 439.493 4.194 5 20 IIBD COc1cc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2F)ccc1OCc1ccncc1 603964707 DYFBAJGQPMRKJE-AWEZNQCLSA-N 425.416 4.208 5 20 IIBD CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 604519693 PPDBENJREMCYQO-AUSIDOKSSA-N 434.496 4.235 5 20 IIBD CCCOc1cc(C)ccc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 608804917 MUVAVSRGXZQQBZ-FQEVSTJZSA-N 425.485 4.244 5 20 IIBD CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 609446089 BOWZAFYXYOWRFS-LJQANCHMSA-N 429.542 4.453 5 20 IIBD CCOC(=O)c1cc(S(=O)(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc([N+](=O)[O-])c1C 609706815 FAAORQRBIAWOHU-CQSZACIVSA-N 446.481 4.208 5 20 IIBD CCn1c(O)nc2cc(C(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)ccc2c1=O 609762929 SNQMZINACABVAI-UHFFFAOYSA-N 446.419 4.075 5 20 IIBD CC(C)n1nc(-c2ccccc2)cc1NC(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 610103619 MELQWJWYVQUCTE-UHFFFAOYSA-N 449.511 4.117 5 20 IIBD CS(=O)(=O)[C@@H]1CCC[C@H](NCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 610137667 VUISACOWQIXORN-FUHWJXTLSA-N 438.933 4.486 5 20 IIBD Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(C)c1OCC(=O)N1CCCCC1 610168582 IBTPHQCJYOTMNR-UHFFFAOYSA-N 425.485 4.164 5 20 IIBD COc1ccc(Oc2ccc(NC(=O)c3cc(O)nc4ccc([N+](=O)[O-])cc34)cn2)cc1 610203593 LGFXSEQOEVUDJT-UHFFFAOYSA-N 432.392 4.297 5 20 IIBD CC(C)c1ccc(CS(=O)(=O)c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)c(C(C)C)c1 611029593 WOJLVYXVYKXETO-UHFFFAOYSA-N 439.555 4.219 5 20 IIBD CCCCNC(=O)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 611202505 JRUGRRSSONOSKL-INIZCTEOSA-N 433.574 4.398 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)c1ccc(S(C)(=O)=O)cc1 611205392 BGBBOJMEPCOFCE-UHFFFAOYSA-N 434.539 4.310 5 20 IIBD CN(C)c1noc([C@H]2CCCN(Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)C2)n1 618613552 SEMOTVDWPJQTNM-INIZCTEOSA-N 441.463 4.355 5 20 IIBD CCc1cccc(CC)c1-n1c(Sc2c([N+](=O)[O-])ncn2C)nnc1-c1cccnc1 619671231 ZFNCPHUYXAKBNM-UHFFFAOYSA-N 435.513 4.247 5 20 IIBD COc1cc(CN2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1OC(F)F 725811657 HFFJQACUZQINOY-AWEZNQCLSA-N 445.463 4.036 5 20 IIBD C[C@@H](OC(=O)CC[C@H](O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 726872942 KZEBLVNAZYCTCQ-QRWLVFNGSA-N 428.485 4.276 5 20 IIBD Cc1ccc(C(=O)N[C@@H](CC(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 729874753 ZWPMMORIGKSPJU-QFIPXVFZSA-N 446.459 4.191 5 20 IIBD CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)OCc1ccc(OC)c([N+](=O)[O-])c1)O[C@@H](C)C2 730651707 OMKFGNSUNSWHQY-OWQGQXMQSA-N 427.453 4.172 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 730684728 WJNIRMFPJMFYHP-NSHDSACASA-N 430.873 4.188 5 20 IIBD CC(C)Oc1ccc(CCCOC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 732496794 IGXPOVWIHWBRAL-GOSISDBHSA-N 446.525 4.224 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@@H]1CCc2c(Cl)cccc21 732507112 OAFWCXOKVFGMFR-RTBURBONSA-N 448.928 4.330 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 735251687 PNIDBZCFUPXXSQ-UHFFFAOYSA-N 437.364 4.319 5 20 IIBD CC[C@H]1CCCN(C(=O)c2ccc(OS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)CC1 735251856 WJIXFLSNEHGXGF-KRWDZBQOSA-N 446.525 4.323 5 20 IIBD C[C@@H](OC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)C(=O)Nc1cccc2ccccc12 735352029 HLIRXMXCTLZTPS-CYBMUJFWSA-N 431.404 4.186 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(Cn3nc(-c4cccc5ccccc45)oc3=S)CC2)cn1 742145198 OJWKUYFLPZWFJO-UHFFFAOYSA-N 448.508 4.109 5 20 IIBD CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 745171853 OADHYUOZOQSPLX-ZDUSSCGKSA-N 447.875 4.417 5 20 IIBD O=C(COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccccc1C(F)(F)F 745567271 HFJXOXDLQXSRMD-UHFFFAOYSA-N 436.264 4.428 5 20 IIBD O=C(Cc1csc(-c2ccc(Cl)cc2Cl)n1)OCCn1ccc([N+](=O)[O-])n1 748119854 WNSSVPBQQBMSMH-UHFFFAOYSA-N 427.269 4.008 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 749500984 FNVQCUNRZDADGR-OWDMVUQNSA-N 435.883 4.302 5 20 IIBD COc1cc(OC)c(C2CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])CC2)c(OC)c1 749895162 ZARMDIMQWSNYIW-UHFFFAOYSA-N 434.876 4.294 5 20 IIBD O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1ccnc(Oc2ccccc2)c1 750435609 ZNKXRODFVPQITP-UHFFFAOYSA-N 434.452 4.251 5 20 IIBD O=C(Nc1ccc(-n2cnc3ccccc32)nc1)c1cc([N+](=O)[O-])ccc1Br 751077047 NYROAVDFJJFSHO-UHFFFAOYSA-N 438.241 4.344 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1CCC(NC(=O)CC2CCCC2)CC1 751309616 FBRSWIFYVBZRBU-UHFFFAOYSA-N 435.952 4.462 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] 751416679 IYWWEQUKFXMZQA-ZWKOTPCHSA-N 447.532 4.144 5 20 IIBD O=C(OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc2ccc(Cl)cc2n1 752174910 QJNYMOOXHBLMHH-UHFFFAOYSA-N 434.235 4.037 5 20 IIBD COc1cc(C(=O)N2CCCc3cc(C)c(Br)cc32)c([N+](=O)[O-])cc1OC 754425754 SOHRYCACSIOZND-UHFFFAOYSA-N 435.274 4.276 5 20 IIBD COc1ccc(-c2nc(COC(=O)CCc3cccc([N+](=O)[O-])c3)cs2)cc1OC 756527628 MNLAYRWONRPZAH-UHFFFAOYSA-N 428.466 4.412 5 20 IIBD Cn1cc(-c2ccccc2CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cn1 759770126 DSVYLOJWXYTLMA-UHFFFAOYSA-N 449.692 4.341 5 20 IIBD CC(C)n1c(S)nnc1CCNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 764167769 KNPOOFLTTPUEKV-UHFFFAOYSA-N 435.575 4.063 5 20 IIBD CON(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H]1CCCOc2ccccc21 764397492 XROVFZKSCQMJRN-LJQANCHMSA-N 425.485 4.115 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@H](C)c1ccc(Cl)c2ccccc12 765814671 HKVIQOPZHHBEHC-CYBMUJFWSA-N 442.855 4.479 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1ncccc1-c1ccccc1 770732946 HMNGIBXUFWMJSN-UHFFFAOYSA-N 434.271 4.220 5 20 IIBD O=C(c1cc(N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)ccc1[N+](=O)[O-])N1CCCC1 772905866 KPFGHGCDQRRZGR-XMSQKQJNSA-N 427.476 4.062 5 20 IIBD O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCCCN1C(=O)c1ccccc1 773341981 BBBPPFGPZJRNIZ-KRWDZBQOSA-N 447.285 4.095 5 20 IIBD O=C(OCc1nnc(-c2ccccc2Cl)o1)c1sc(Br)cc1[N+](=O)[O-] 774124243 UCVBMKPIFZREAZ-UHFFFAOYSA-N 444.650 4.479 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCc2ncc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2C1 777005093 FVNZZQVPVBTOPG-CQSZACIVSA-N 446.891 4.278 5 20 IIBD CCOCc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Br)cc2C)c1 777623415 MRAVRUMXBGIGPS-UHFFFAOYSA-N 429.292 4.003 5 20 IIBD CC1(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN(C(=O)OC(C)(C)C)CC1 778077680 IXDYMAGSVWZOTJ-UHFFFAOYSA-N 446.529 4.238 5 20 IIBD O=C(NCc1ccccc1N1CCCCC1)c1cc(F)cc([N+](=O)[O-])c1Br 778459878 CYDSMWCMARIIQG-UHFFFAOYSA-N 436.281 4.417 5 20 IIBD O=C(O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1csc(Cc2cccc(F)c2)n1 780435660 DRXIBKDPZINKMJ-IRXDYDNUSA-N 430.461 4.318 5 20 IIBD CCS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2ccc([N+](=O)[O-])c(C)c2)c1Cl 781170186 JZRRUODCWORUMB-UHFFFAOYSA-N 432.281 4.361 5 20 IIBD O=[N+]([O-])c1cccc(Br)c1CN1CCc2c(ncn2-c2ccc(F)cc2)C1 781532556 RXPUNYNTGXZLFH-UHFFFAOYSA-N 431.265 4.240 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccccc1NC(=O)c1cccs1 781640170 VYIOXNHLZJNWRM-UHFFFAOYSA-N 440.437 4.388 5 20 IIBD CC[C@@H]1C[C@@H](CC(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)CCO1 781952361 UFQODPNNJBBHKN-FBBABVLZSA-N 432.517 4.118 5 20 IIBD CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2ccc([N+](=O)[O-])s2)NC(=O)N1CC1CC1 782247480 BMZDIPZNXMSVEZ-SFHVURJKSA-N 430.461 4.184 5 20 IIBD O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)c1cc([N+](=O)[O-])c(Br)cc1F 784049709 WSUIGFUVPHWYSW-UHFFFAOYSA-N 433.573 4.415 5 20 IIBD COC(=O)c1ccc([C@@H](OC(=O)CSc2ccccc2[N+](=O)[O-])C(F)(F)F)cc1 784088966 OEXNIMJIAQBGRN-MRXNPFEDSA-N 429.372 4.320 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](c2cccc(C(F)(F)F)c2)C1 784485870 MEAXKMUADMNJFG-HNNXBMFYSA-N 437.418 4.440 5 20 IIBD CCc1ccccc1NC(=O)COC(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 787454419 PFUNXHPGQGMZGO-CALCHBBNSA-N 439.512 4.435 5 20 IIBD O=C(N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)c1cccc(Cl)c1[N+](=O)[O-] 789717416 UZOCMHTULTYIOI-AWEZNQCLSA-N 442.686 4.480 5 20 IIBD Cc1c(C(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 791868918 FRIIVLLJEMJFDP-UHFFFAOYSA-N 437.796 4.375 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)[C@@H](C)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 798787450 RUXWRBCMQYKCTD-RYUDHWBXSA-N 440.374 4.296 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 800634766 GLDOAKVLDQUHMB-HAQNSBGRSA-N 440.258 4.350 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 801973576 PNBZOBFAGVDHIT-DOTOQJQBSA-N 444.536 4.003 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCN(C(=O)c2cc3ccccc3s2)CC1 809917136 ASLWIDJZKWJOQO-UHFFFAOYSA-N 444.900 4.453 5 20 IIBD CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 810624733 YNRRBSFSVYSXNZ-LEWJYISDSA-N 443.544 4.369 5 20 IIBD CCS(=O)(=O)Nc1ccc(NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1OC 811469953 PSCSDVIATRKOMK-UHFFFAOYSA-N 434.301 4.284 5 20 IIBD C[C@@H]1CCCN(c2cc(C(=O)O[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)ccn2)C1 812653357 LXMOOKBYHBDDNQ-HUUCEWRRSA-N 437.456 4.194 5 20 IIBD CCOC(=O)C[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccc(F)cc1 812930071 HUMYKXLXZGAODX-OAHLLOKOSA-N 429.231 4.465 5 20 IIBD O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCC(c2nc(-c3ccccn3)no2)CC1 812964034 FLPCSAGVQOLPEX-UHFFFAOYSA-N 448.266 4.366 5 20 IIBD COc1cc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccn1 819999249 OYRINBFCMXUKFT-UHFFFAOYSA-N 426.816 4.156 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)c1cc2ccccc2nc1O)c1cccc([N+](=O)[O-])c1 918636971 ZRAKTCZYEJBGJW-SFHVURJKSA-N 449.463 4.090 5 20 IIBD CCCCN1C(=O)C[C@H](C(=O)OCc2cc(F)ccc2[N+](=O)[O-])[C@H]1c1ccc(OC)cc1 918997811 DDTZJHXPVMDUNZ-SIKLNZKXSA-N 444.459 4.176 5 20 IIBD Cc1cc(C(=O)COC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c(C)n1C 920548195 QNCZHYZLCBOBGL-OAHLLOKOSA-N 436.468 4.158 5 20 IIBD COc1cc(CNC(=O)c2sc(Br)cc2[N+](=O)[O-])cc(Cl)c1OC 1262834989 BOIVIXJACIFPBP-UHFFFAOYSA-N 435.683 4.019 5 20 IIBD Cc1ncc(Br)c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)n1 1325685353 MOHUCCGVZVPWCG-UHFFFAOYSA-N 427.258 4.303 5 20 IIBD CC(C)n1nc(-c2nnc(Cc3ccc([N+](=O)[O-])cc3Cl)o2)c2ccccc2c1=O 1325798412 RCZXXDCGTOBNJR-UHFFFAOYSA-N 425.832 4.180 5 20 IIBD CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc([N+](=O)[O-])cc4c3OCC4)CCC2)cc1 1787703798 PZPWQXILVIUFAZ-UHFFFAOYSA-N 437.496 4.324 5 20 IIBD O=C(CCCc1cccnc1)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1 1791949717 IHXUWYYEWPWRSW-UHFFFAOYSA-N 448.479 4.353 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)NC1(c2ccc(NC(=O)C34CC(C3)C4)cc2)CCC1 1792036553 BJINNWCMEHSCHS-UHFFFAOYSA-N 437.471 4.211 5 20 IIBD Cc1cccc(C(=O)N2CCC3(CCCN(C(=O)/C=C/c4ccc([N+](=O)[O-])o4)C3)CC2)c1 1805682741 HGWNZNUCBMBHNC-SOFGYWHQSA-N 437.496 4.054 5 20 IIBD CC(C)CC(=O)N1CCCC2(CCN(C(=O)C3(c4cccc([N+](=O)[O-])c4)CCC3)CC2)C1 1809051619 YWKUFPWPZMJUOH-UHFFFAOYSA-N 441.572 4.294 5 20 IIBD CC/C=C(\C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])n[nH]1 1823503575 SWXNRGSFUWNOKV-RBOSBFLESA-N 437.500 4.380 5 20 IIBD C[C@@H]1CCC[C@H]1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830495485 BANKXGMXIRVILE-ZWDAVXSWSA-N 445.535 4.403 5 20 IIBD Cc1c(C(=O)N2CCCC23CN(C(=O)C2(C)CCCCC2)C3)cc(Cl)cc1[N+](=O)[O-] 1845500163 WLIJQUVFTVQTKW-UHFFFAOYSA-N 433.936 4.344 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CCc1ccc(-c2ccccc2F)o1 16320314 ZAHFWOKRKXHRPV-UHFFFAOYSA-N 442.399 4.117 5 20 IIBD Cc1nc(-c2ccccc2)sc1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 17828196 SOLGTVKMFIOCJH-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)OCc2csc(-c3cccc(OC)c3)n2)cc1OC 19159268 WLYODUJFYDMMNE-UHFFFAOYSA-N 444.465 4.491 5 20 IIBD O=C(CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)Nc1ccccc1Cl 20668806 ALFISJYARLTLGV-UHFFFAOYSA-N 442.825 4.028 5 20 IIBD CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CSc1ccc([N+](=O)[O-])cc1 22374404 DHJGKORKBYDCSG-UHFFFAOYSA-N 428.297 4.091 5 20 IIBD C[C@@H](OC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 22941473 MQBFTHXXMCBPPU-OAHLLOKOSA-N 440.452 4.139 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cccc1[N+](=O)[O-] 25374455 KJSKCMXOGQBULF-NSHDSACASA-N 429.410 4.210 5 20 IIBD O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] 36184234 VWLDBZZYTLEDFM-UHFFFAOYSA-N 435.465 4.225 5 20 IIBD CS(=O)(=O)c1ccc(NCC2(c3cccc(Br)c3)CCC2)c([N+](=O)[O-])c1 60452463 IESXCJDZWMHYEH-UHFFFAOYSA-N 439.331 4.295 5 20 IIBD O=C(Nc1ccc(OCc2ccccc2F)cc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 64423507 QSSGHANDEUMCAU-UHFFFAOYSA-N 433.399 4.146 5 20 IIBD Cc1nn(-c2ccccc2)cc1CCCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 64724302 WXWQMIABRNLNGA-MRXNPFEDSA-N 442.903 4.259 5 20 IIBD CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 64828232 GIKHOISKYHTBQE-UHFFFAOYSA-N 436.390 4.425 5 20 IIBD CCCCNC(=O)c1ccc(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 65101170 GQJWHAQNKULRAQ-UHFFFAOYSA-N 438.509 4.178 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N1CCC2(CCCCC2)CC1 72081050 QTECPHLAKWXLNX-UHFFFAOYSA-N 428.270 4.386 5 20 IIBD O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1 105770950 QKAWQQCYOMVCNO-UHFFFAOYSA-N 447.904 4.034 5 20 IIBD C[C@@H](NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)NCc1ccco1 237405410 HOTQMANYMLUUQN-CQSZACIVSA-N 429.860 4.428 5 20 IIBD CC[C@@H](Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1 301170515 DXUHHKGQEKWETF-CYBMUJFWSA-N 437.827 4.478 5 20 IIBD CN(Cc1ccc(Br)s1)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] 301221711 ASJCETZKNZCTQL-UHFFFAOYSA-N 441.275 4.052 5 20 IIBD Cc1c(Cl)cccc1-n1c(Sc2ncc([N+](=O)[O-])cn2)nnc1-c1ccncc1 302140254 DNLOBYVFZRHFTO-UHFFFAOYSA-N 425.861 4.141 5 20 IIBD COc1cc(C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)cc([N+](=O)[O-])c1OC 410417789 ANVYYYIOGUPHLA-UHFFFAOYSA-N 434.754 4.459 5 20 IIBD CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](c1ccc(Cl)cc1)c1cnccn1 426844406 ZQEAWETZPKXAFO-FQEVSTJZSA-N 446.294 4.352 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C 428795905 UESFZNYXNUVPEG-KBXCAEBGSA-N 437.418 4.323 5 20 IIBD O=C(NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 429193819 WOHGVOSUXADDDK-UPVQGACJSA-N 441.503 4.182 5 20 IIBD CCOc1ccccc1Oc1ccc(CNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)cn1 430416519 IRSYJINJVKVIAW-UHFFFAOYSA-N 437.452 4.184 5 20 IIBD C[C@H](NC(=O)N(Cc1ccc(Cl)cc1)Cc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 430424578 IPJAQWSHKCFXGT-HNNXBMFYSA-N 427.892 4.455 5 20 IIBD C[C@@H]1CC(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)Cc1cccc([N+](=O)[O-])c1 430448724 MAPYPBSMSSUWRZ-GOSISDBHSA-N 429.476 4.496 5 20 IIBD O=C(Nc1cccc(Cl)c1N1CCOCC1)c1cc(Br)cc([N+](=O)[O-])c1 432207299 WWQIDCSIULPRMB-UHFFFAOYSA-N 440.681 4.100 5 20 IIBD CCCOc1cc(NC(=O)N2CCOC[C@H](C3CCC3)C2)c([N+](=O)[O-])cc1OCCC 432642443 MDEASOLVNXFENO-QGZVFWFLSA-N 435.521 4.453 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)c1 435375761 WHKSOKDZWMOFON-KRWDZBQOSA-N 437.525 4.213 5 20 IIBD COc1ccc(C[C@@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])c2ccc(OC)cc2)cc1 435617723 ODCXPFLWCNRDID-OAQYLSRUSA-N 436.464 4.334 5 20 IIBD O=C(Nc1ccc(Cl)c(CN2CCOCC2)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 436029242 XFTDRGKIDLDEMK-UHFFFAOYSA-N 443.809 4.352 5 20 IIBD O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436113934 XDVKKZJFMWVJBR-HNNXBMFYSA-N 433.458 4.216 5 20 IIBD C[C@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 436247472 UMFWVNGVGZBWAZ-RVKKMQEKSA-N 439.506 4.437 5 20 IIBD COc1ccc(-c2ccn(-c3ccc(SCC(=O)c4cccc([N+](=O)[O-])c4)nn3)n2)cc1 436266419 YSENJESEQREGGZ-UHFFFAOYSA-N 447.476 4.221 5 20 IIBD CC(=O)N1CCN(Cc2cccc(NCc3ccc(-c4ccccc4[N+](=O)[O-])o3)c2)CC1 436407791 FERKWOSEZAERRR-UHFFFAOYSA-N 434.496 4.131 5 20 IIBD CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)Nc1cccc([N+](=O)[O-])c1C 436499769 XMFKQIJIXJUTHE-GOSISDBHSA-N 437.500 4.148 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 438660457 JCSUUGWAPUJOAN-UHFFFAOYSA-N 449.454 4.426 5 20 IIBD Cn1cnc2cc(NC(=O)c3ccn(-c4c(Cl)cc([N+](=O)[O-])cc4Cl)n3)ccc21 440539461 XGTDFXBLUOCYMD-UHFFFAOYSA-N 431.239 4.226 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N(Cc1ccccc1)CC1CCOCC1 445800206 VMAVHVPKPVYLOC-UHFFFAOYSA-N 447.329 4.355 5 20 IIBD C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 446253450 RBEPUYJHZJSBQQ-APPDUMDISA-N 426.803 4.452 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 446484749 LEJQAVOCUNXXPO-MRXNPFEDSA-N 425.489 4.042 5 20 IIBD CCc1[nH]nc(C(=O)N2CCC[C@H](c3nc(-c4ccccc4OC)cs3)C2)c1[N+](=O)[O-] 446791557 UQCSFVHJQVKGIQ-ZDUSSCGKSA-N 441.513 4.032 5 20 IIBD C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)CC1 461382729 CVMWWTILTPYMIR-CQSZACIVSA-N 440.887 4.021 5 20 IIBD COc1ccc([C@H](NCc2cccc([N+](=O)[O-])c2C)c2cccc(S(C)(=O)=O)c2)cc1 462176838 PHNQLBNMLRZRKO-QHCPKHFHSA-N 440.521 4.195 5 20 IIBD COc1cc(C)c(CN(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1OC 462463125 JWWPXUMRWVEXQP-UHFFFAOYSA-N 449.312 4.048 5 20 IIBD COc1cc(CCNC(=O)Nc2ccccc2CCC(F)(F)F)c([N+](=O)[O-])cc1OC 465242103 LZDSOTVYNLLJPY-UHFFFAOYSA-N 441.406 4.471 5 20 IIBD CC[C@@H]1Oc2cc([C@H](C)NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc2NC1=O 465356913 JDJDTRUXYAROSC-QFYYESIMSA-N 437.374 4.214 5 20 IIBD COc1cc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc(-n2cccn2)c1 473664737 USVNRHLFLIZNHB-UHFFFAOYSA-N 428.423 4.267 5 20 IIBD C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1cc2cccc(F)c2o1 475757189 QRBPPABWYFVDFK-SMDDNHRTSA-N 431.445 4.024 5 20 IIBD CCOc1cc(N2CCN(C(=O)C[C@@H](C)c3ccc(F)cc3F)CC2)ccc1[N+](=O)[O-] 477361115 IWDWAZHWTQXDEH-OAHLLOKOSA-N 433.455 4.114 5 20 IIBD C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C(=O)N2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)o1 478091337 XQAKSHSQXHNZPO-LAVFITLUSA-N 449.511 4.030 5 20 IIBD Cn1ccc(CN[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)c1 479422353 LNOMNWONPIWVER-IBGZPJMESA-N 443.301 4.165 5 20 IIBD C[C@H]1c2nncn2CCN1C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 481756325 MKQWHIXUCZLBQG-LBPRGKRZSA-N 429.889 4.208 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(-c2noc(C(F)(F)F)n2)c1 483590289 IOYJXRLVBQRFSM-UHFFFAOYSA-N 435.362 4.370 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCN(C2CC2)c2cc(F)ccc21 484328709 JVYJEABXJPOEIE-UHFFFAOYSA-N 439.365 4.304 5 20 IIBD CCc1nn(C)c(CC)c1CC(=O)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 485542082 QCIJOVQTLFEICB-UHFFFAOYSA-N 448.483 4.080 5 20 IIBD COc1cc(-c2nc(-c3ccc(-n4cc(Cl)cn4)c(F)c3)no2)cc([N+](=O)[O-])c1OC 485966948 ORXIKRLHYJARAI-UHFFFAOYSA-N 445.794 4.307 5 20 IIBD COc1ccccc1[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)N1CCCC1 486434388 ISOFSAXLJTWDSB-JOCHJYFZSA-N 438.528 4.088 5 20 IIBD C[C@@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 486445109 LGILZEYJDMCIMS-RKXCMPKHSA-N 438.505 4.402 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSCc1nc(-c2ccc(F)c(F)c2)no1 486715134 FFUQXLATXOXKRA-UHFFFAOYSA-N 448.407 4.154 5 20 IIBD O=C(NCCCc1nc(-c2ccncc2)cs1)c1cc([N+](=O)[O-])ccc1OC(F)F 488938495 RUDLXWDMNQFAKY-UHFFFAOYSA-N 434.424 4.077 5 20 IIBD CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 489032690 GXNZIOWDRDTBIA-QGZVFWFLSA-N 449.511 4.277 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC(=O)Nc1cc(Cl)ccc1OC 489937964 VZKKJIZKPUNJIG-UHFFFAOYSA-N 437.905 4.127 5 20 IIBD Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 494039315 SLPQKCDKKRWCCZ-OAHLLOKOSA-N 440.500 4.012 5 20 IIBD COc1ccc(C2(CNC(=O)c3cc([N+](=O)[O-])ccc3SCCO)CCCCC2)cc1 497668203 OTORLBNAXZGKJQ-UHFFFAOYSA-N 444.553 4.320 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCO[C@@H](c2cccc(Br)c2)C1 498270809 QJSGIRMCUUWBKN-GOSISDBHSA-N 442.269 4.119 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2nc(C(F)F)sc2c1 499060786 ZPUOHCFWZAQUOZ-UHFFFAOYSA-N 448.451 4.220 5 20 IIBD COc1cc(CNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc(Br)c1OC 501733675 UBVMEJOQKYRVKA-UHFFFAOYSA-N 441.303 4.026 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN(Cc1nnc(-c2ccccc2Cl)o1)C(C)C 502770419 NTAPRCVPUKOGML-UHFFFAOYSA-N 443.891 4.456 5 20 IIBD C[C@@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccc(-n2cccn2)c(F)c1 505367594 VZYUNKQWILDXBJ-SECBINFHSA-N 439.266 4.235 5 20 IIBD CN(c1ccccc1)c1ccc(CNCc2ccc(NS(C)(=O)=O)cc2)cc1[N+](=O)[O-] 507907496 ZLVVCJNEYQGKDS-UHFFFAOYSA-N 440.525 4.024 5 20 IIBD COc1cc(C(=O)NCc2cccc(NC(=O)Nc3cccc(C)c3)c2)ccc1[N+](=O)[O-] 511784802 LWYAAUXHFLJKCP-UHFFFAOYSA-N 434.452 4.486 5 20 IIBD Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 512095303 OYAVDPVSCHSOSY-GOSISDBHSA-N 430.936 4.267 5 20 IIBD Cc1ccccc1-n1nc(C)c(CN(C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1C 513399995 AQRCHKNGPSJCOH-UHFFFAOYSA-N 432.484 4.388 5 20 IIBD O=C1CCCN1C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 513713650 RDTQLROSBWITBM-UHFFFAOYSA-N 448.317 4.204 5 20 IIBD CN(C)S(=O)(=O)c1ccc(OCCOc2ccc([N+](=O)[O-])cc2-c2cccs2)cc1 514485569 CVTNOJAIPJNXAE-UHFFFAOYSA-N 448.522 4.031 5 20 IIBD COc1cc(CCNC(=O)N(Cc2ccc(Cl)cc2)C2CC2)c([N+](=O)[O-])cc1OC 515457231 CYFHCUJXAYBJOA-UHFFFAOYSA-N 433.892 4.182 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 515578027 GDKGVDGNTSGRQX-UHFFFAOYSA-N 448.458 4.015 5 20 IIBD CN(C)c1cccnc1CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 517449201 SLOVPHRMURWHRU-OAQYLSRUSA-N 439.903 4.179 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 517770928 XGXUMVMNDZGZII-QFIPXVFZSA-N 445.479 4.002 5 20 IIBD COc1ccc(CNC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)cc1[N+](=O)[O-] 518051471 NVTPVGYFPUQOJH-UHFFFAOYSA-N 446.529 4.046 5 20 IIBD O=C1[C@@H](Sc2nnc(NCCc3cccs3)s2)CCN1c1cccc([N+](=O)[O-])c1 521837628 PYPJEDSMFUKDGX-HNNXBMFYSA-N 447.567 4.060 5 20 IIBD NS(=O)(=O)c1ccc(Nc2cccc(Oc3ccnc4ccccc34)c2)c([N+](=O)[O-])c1 522406094 UCPOZLANSAOGEC-UHFFFAOYSA-N 436.449 4.326 5 20 IIBD COc1cc(F)c(S(=O)(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1OC 522693688 FDDYVPUDVQINBI-UHFFFAOYSA-N 448.428 4.344 5 20 IIBD O=C(NCC1(c2ccccc2Br)CC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 524952962 SQWYRIRGLSVZEL-UHFFFAOYSA-N 441.285 4.005 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1 525837577 AZILMZAFMVHZCT-MJGOQNOKSA-N 442.459 4.313 5 20 IIBD O=C(O)[C@H]1CCN(C(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C1 532676626 RPHPDGCXOAVNQA-CNYBTUBUSA-N 437.477 4.068 5 20 IIBD CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])Cc1cn(-c2ccccc2)nc1-c1cccs1 533230850 WAZAIYQBXYKKHM-UHFFFAOYSA-N 447.520 4.240 5 20 IIBD O=C(NCCCOc1ncc(C(F)(F)F)cc1Cl)c1c[nH]c2cc([N+](=O)[O-])ccc12 534578818 WDSNCWJTHDDRGR-UHFFFAOYSA-N 442.781 4.342 5 20 IIBD Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 534744325 DAKLKKNPXCBWPC-UHFFFAOYSA-N 439.428 4.485 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1cccc(O)c1F 534944528 DGVWJPQWGSZCHL-UHFFFAOYSA-N 432.411 4.473 5 20 IIBD COc1ccccc1COC1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 536720116 IOMVORHVNJFSPS-UHFFFAOYSA-N 439.512 4.025 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)[C@@H](C)Nc1cc2ncnc(O)c2cc1[N+](=O)[O-] 536897216 QFFZQACSAZURIO-BMLIUANNSA-N 433.262 4.194 5 20 IIBD CC[C@H](C)n1nc(NC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cc1C 538354917 BBVQUWYPMIEFJO-YOEHRIQHSA-N 431.493 4.275 5 20 IIBD Cn1cc(CNc2cccc(CS(=O)(=O)C(C)(C)C)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 538832244 ZUYUXNCNCRXYOG-UHFFFAOYSA-N 442.541 4.321 5 20 IIBD CCOc1cc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])cc1OC 539151396 FJSWNJIQDOBEBA-DNVCBOLYSA-N 438.839 4.055 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1ccc(-c2csc(C)n2)cc1 539279905 CJNTXLVNCPMGTF-ZDUSSCGKSA-N 426.498 4.325 5 20 IIBD O=C(Nc1ncc(Cc2ccccc2)s1)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 539414873 AFDDCONDNBEGPM-UHFFFAOYSA-N 438.494 4.164 5 20 IIBD O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 539476784 OXVBPACPMHOTIQ-OAHLLOKOSA-N 440.862 4.458 5 20 IIBD CCc1nc2ccccc2n1C1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 540092432 BVVYJXPATANJAD-UHFFFAOYSA-N 431.496 4.394 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 541784163 DNHDZSDWLVKORS-UHFFFAOYSA-N 447.776 4.155 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 541867718 IGUASKUQBYROMS-UTKZUKDTSA-N 443.569 4.116 5 20 IIBD CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])n1 542192311 RZPJOFLMZUKVEV-LBPRGKRZSA-N 442.925 4.116 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CN3CCO[C@@H](c4ccc(C(F)(F)F)cc4)C3)n2)c1 543874630 HGXKHGNLDGALGV-QGZVFWFLSA-N 434.374 4.237 5 20 IIBD CN(CCc1ccccc1O)C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 544309536 KXSCFLMGVOYZAZ-UHFFFAOYSA-N 435.267 4.108 5 20 IIBD COc1ccc(-c2nc(C)c([C@H](C)NS(=O)(=O)c3cccc([N+](=O)[O-])c3)s2)cc1 544839335 WPUCRVVQEOEWCI-ZDUSSCGKSA-N 433.511 4.075 5 20 IIBD CC(C)(C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccc([N+](=O)[O-])cc1F 545827212 FIGNMIKKMSVEAY-UHFFFAOYSA-N 447.422 4.451 5 20 IIBD Cc1c(-c2nc(COc3ccc4ccccc4c3)no2)nnn1-c1cccc([N+](=O)[O-])c1 546350572 HGTYBAWQZBAETG-UHFFFAOYSA-N 428.408 4.266 5 20 IIBD Cc1cc(Cc2noc([C@@H]3CC(=O)N(c4ccc(Cl)c(F)c4)C3)n2)ccc1[N+](=O)[O-] 547262976 MNYBVWWEPMWOCL-CYBMUJFWSA-N 430.823 4.190 5 20 IIBD Cc1ccc([C@]2(C)CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3C[C@@H]3CCOC3)C2)cc1 550017732 KSMGVFXRWYCROM-UQBPGWFLSA-N 447.539 4.366 5 20 IIBD CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)[C@H]2C1 554723027 MXFQOWSFBBYMBJ-HSQYWUDLSA-N 439.537 4.123 5 20 IIBD CSc1ccccc1NC(=O)CN(C)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 558950657 UWQVMJVRFVEJRS-UHFFFAOYSA-N 427.404 4.046 5 20 IIBD CC(C)c1ccc2c(c1)[C@@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)CC2 560222446 KOICKJZPAGVPHZ-SFHVURJKSA-N 446.301 4.223 5 20 IIBD O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 561438154 PUTYZKDPSTUFDY-HNNXBMFYSA-N 440.862 4.458 5 20 IIBD C[C@H](C(=O)NCCc1ccc(OCCN2C[C@H](C)[C@@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 571705575 WIQHMDVEOBHVPP-UFYCRDLUSA-N 439.556 4.024 5 20 IIBD COc1ccc(C[C@](C)(O)CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1OC 576197816 VDPJJHFMSSUHKE-RPBOFIJWSA-N 436.508 4.285 5 20 IIBD CC(C)(C)[S@](=O)Cc1cccc(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c1 576317203 VJYBRDCIGYSUNZ-SSEXGKCCSA-N 431.514 4.069 5 20 IIBD O=C(NCC(=O)N1CCC(c2c(Cl)cccc2Cl)CC1)c1cccc([N+](=O)[O-])c1 577438171 MQXPZZGAUSGVJO-UHFFFAOYSA-N 436.295 4.038 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@@H](CCC(C)C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 578790865 IJCHAUJWPZWGOW-KRWDZBQOSA-N 433.892 4.489 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 585699636 KLXJTYAJGLXVJN-INIZCTEOSA-N 432.318 4.012 5 20 IIBD COC(=O)c1cc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c(C)cc1Br 588864059 ZMNNOWKZLKGEMN-UHFFFAOYSA-N 432.230 4.186 5 20 IIBD CC(C)(C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccccc1[N+](=O)[O-] 590064303 OHOOVHMKQIYEOJ-UHFFFAOYSA-N 431.492 4.010 5 20 IIBD COc1c(Br)cc(Cl)cc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 590768292 AGFQXKDDVKUIQM-UHFFFAOYSA-N 429.610 4.000 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C3CCCCCC3)cc2)cc1[N+](=O)[O-] 603558984 VXVKUPUQBUUNON-UHFFFAOYSA-N 445.541 4.499 5 20 IIBD COc1cc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1OC1CCCC1 604034252 WUYNYALEFSOSOS-UHFFFAOYSA-N 440.905 4.057 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC1(c2ccc3c(c2)OCO3)CCCCC1 604368854 SNDFNAAJGRECKS-UHFFFAOYSA-N 425.485 4.367 5 20 IIBD O=C(C1CCN(Cc2ccccc2)CC1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 608937368 ROPMYPTZVFFFRI-UHFFFAOYSA-N 435.446 4.398 5 20 IIBD COc1ccc(CC(=O)N(C[C@H]2CCCO2)c2ccc(Br)cc2)cc1[N+](=O)[O-] 609010726 FSLXHMOOKJFYBQ-QGZVFWFLSA-N 449.301 4.121 5 20 IIBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)Nc1ccc(-c2cc3ccccc3o2)cc1 609083704 FFOXRUAKQKYWQO-UHFFFAOYSA-N 443.415 4.372 5 20 IIBD COc1cc(C(=O)N[C@@H]2CCc3ccc(C)cc32)c([N+](=O)[O-])cc1OCc1cscn1 609304683 QNJULSAZICKIBW-GOSISDBHSA-N 439.493 4.365 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)c1ccc2nn[nH]c2c1 609796645 GZYBUPYMLQSYSK-UHFFFAOYSA-N 441.806 4.381 5 20 IIBD CN1CCC[C@@H](CN(C)[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 610161474 WGKCTDBCQNQVDH-IIBYNOLFSA-N 430.936 4.202 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)cc([N+](=O)[O-])c1 610198201 CFFNBBANZDMPGF-UHFFFAOYSA-N 448.863 4.207 5 20 IIBD COc1ccccc1-c1ccc([C@@H](C)N(C)S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 610266091 POPWCWLCXZJSQG-OAHLLOKOSA-N 427.482 4.047 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CC[C@]4(C3)C(=O)Nc3ccccc34)c([N+](=O)[O-])c2)cc1 614524493 NCUGHHKHKAEGPX-RUZDIDTESA-N 442.475 4.256 5 20 IIBD O=C(OCc1ccc(OC(F)F)cc1)c1ccc([N+](=O)[O-])cc1I 726027033 NFPCSYKHMHZHAJ-UHFFFAOYSA-N 449.147 4.158 5 20 IIBD O=C(c1nc(Cl)ccc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727329365 IRRRXQFIYKULOI-UHFFFAOYSA-N 449.216 4.278 5 20 IIBD O=C(Nc1cccc(CNC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])c1)c1cccc(F)c1 727707616 FBFPVXXSDYDLER-UHFFFAOYSA-N 429.354 4.194 5 20 IIBD O=C(CN1CCC(c2nc(-c3ccccc3)no2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 728931359 AYNNTPVAOCEWRG-UHFFFAOYSA-N 441.875 4.116 5 20 IIBD COC(=O)c1coc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)c1 729114931 RPKHEIKSAIVIDM-UHFFFAOYSA-N 441.417 4.165 5 20 IIBD C[C@H](OC(=O)Cc1ccccc1Br)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 729731508 ZDYCSIZGKBHQPD-NSHDSACASA-N 432.230 4.254 5 20 IIBD O=C(Nc1cc(Cl)ccc1O)C1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 731206693 OJHCLVDSKQOTGM-UHFFFAOYSA-N 432.889 4.419 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1F 732524613 HOCFZPMOZGDUJE-UHFFFAOYSA-N 425.438 4.190 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Oc1ccc(-c2noc(-c3cccnc3)n2)cc1 732741298 ZJLZSOKMYVULGA-UHFFFAOYSA-N 431.408 4.114 5 20 IIBD O=C(O[C@H]1CCCN(c2cccc(F)c2)C1=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 734581582 KPWSPLSHXJGINM-SFHVURJKSA-N 441.440 4.210 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)NCCCc2ccc(Br)cc2F)cc1[N+](=O)[O-] 734805276 NBRVAAVJLRBLRQ-UHFFFAOYSA-N 440.225 4.076 5 20 IIBD CN1C(=O)C[C@H](COC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@H]1c1cccc(Cl)c1 737383227 YXOHTBQPMKZSKV-JLTOFOAXSA-N 428.828 4.371 5 20 IIBD CN1C(=O)C[C@@H](COC(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc(Cl)c1 737387880 QHKJMWYOYQIBAA-KSFYIVLOSA-N 445.903 4.203 5 20 IIBD Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc([N+](=O)[O-])cc1Br 739496868 LJHAWVREMKEFFY-LPHOPBHVSA-N 430.302 4.114 5 20 IIBD C[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 742574862 VTLYTYQNCWSFNZ-UZLBHIALSA-N 427.501 4.156 5 20 IIBD COc1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c([N+](=O)[O-])cc1OC 744383380 KJABWFPSOXYOSK-UHFFFAOYSA-N 437.408 4.367 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cccc2c3c([nH]c12)CCCC3 744662044 OOFXVYQFCVVRAG-CYBMUJFWSA-N 437.452 4.148 5 20 IIBD C[C@@H](CC(=O)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1C(F)(F)F 745221919 IYWVOVZEKUDBJH-ZDUSSCGKSA-N 436.386 4.240 5 20 IIBD Cc1ccc(NC(=O)Cc2nc(COC(=O)c3cc(C)ccc3[N+](=O)[O-])cs2)cc1 745386823 ZWMDGUXXTANSEW-UHFFFAOYSA-N 425.466 4.206 5 20 IIBD C[C@H](OC(=O)c1cccc2cc[nH]c12)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 745541537 JIFDMRMCDCPFAH-LBPRGKRZSA-N 436.449 4.384 5 20 IIBD C[C@]1(c2ccc(OC(F)(F)F)cc2)NC(=O)N(Cc2cc(Cl)ccc2[N+](=O)[O-])C1=O 746049914 GGQDIZMFOBEXHY-QGZVFWFLSA-N 443.765 4.114 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CN(Cc1cc(Br)ccc1F)C1CC1 746708150 FSFBOZIJYUGPEI-UHFFFAOYSA-N 436.237 4.026 5 20 IIBD C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 746999579 LPOLIFOESYKYSY-JTQLQIEISA-N 429.782 4.425 5 20 IIBD O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCc1ccc(Cn2cnc3ccccc32)cc1 747087863 FQKUVWYQYXUHJB-UHFFFAOYSA-N 441.491 4.497 5 20 IIBD O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1cnn(-c2ccccc2)c1C1CC1 750436415 WVNKUVNUGHUAGN-UHFFFAOYSA-N 447.495 4.126 5 20 IIBD CC(C)[C@@H](OC(=O)c1cccc(Cl)c1[N+](=O)[O-])C(=O)N[C@@H]1CCOc2ccccc21 750536167 PFNJRDVSADQCAC-VQIMIIECSA-N 432.860 4.070 5 20 IIBD Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)OC(=O)c1ccc(Br)cc1[N+](=O)[O-] 750961936 AMSSVCNTIWYQLQ-QWHCGFSZSA-N 435.274 4.088 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1nc([C@H](CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)no1 752864136 KPYYSWKTYNJPSG-HNNXBMFYSA-N 448.476 4.251 5 20 IIBD COc1ccc(COC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c(Br)c1OC 755067199 INSCTUMJLJFJRG-SNVBAGLBSA-N 442.237 4.361 5 20 IIBD O=C(CCc1nc(O)c2c3c(sc2n1)CCCC3)Nc1cc(Cl)cc([N+](=O)[O-])c1O 758468266 PRAKGRZGOSVSKS-UHFFFAOYSA-N 448.888 4.114 5 20 IIBD COc1ccc2c(c1)CN(S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@@H](c1ccccc1)C2 759273535 MOHZTYKXBUCHJB-HXUWFJFHSA-N 442.468 4.231 5 20 IIBD Cn1nccc1CCNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 762496631 OISMWOVFSRSDCB-SAPNQHFASA-N 447.520 4.228 5 20 IIBD C[C@H](OC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC(F)(F)F)cc1 763400743 ANBBZWHAHHCNSK-RYUDHWBXSA-N 426.347 4.167 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)N[C@@H](C)c1ccccc1OC 763815518 UYIARPNBAUAJCM-KBPBESRZSA-N 432.498 4.138 5 20 IIBD COc1ccc(Cl)cc1N1CC[C@@H](NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 765645217 PVSFCWQGWNBYJZ-GOSISDBHSA-N 430.936 4.094 5 20 IIBD Cn1cc(CNC[C@@H](O)c2ccc(-c3ccccc3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 766469419 RNMJAEKDIUJMBD-XMMPIXPASA-N 428.492 4.486 5 20 IIBD Cc1nc(-c2ccccc2)ncc1C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 767624239 OHGHEBHVVCRVOK-CQSZACIVSA-N 431.408 4.328 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])C1CC1 768248702 JZUZXZLWGDRORF-MRXNPFEDSA-N 434.901 4.471 5 20 IIBD O=C(NC[C@H](O)c1ccc(-c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1Br 768560851 MEMMGZZWPJAXOW-FQEVSTJZSA-N 441.281 4.488 5 20 IIBD CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 769680214 RLZBGKQCGKNWRP-MQVJKMGUSA-N 429.473 4.391 5 20 IIBD C[C@H]1OCC[C@@H]1C(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 770739503 CIGAARZFVNQCCQ-MFKMUULPSA-N 439.251 4.484 5 20 IIBD CCOC(=O)/C=C/c1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 770821442 ZYOLFXKEVYKJPL-VMPITWQZSA-N 425.260 4.247 5 20 IIBD O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)c1csc(-c2ncccc2F)n1 773462621 YIJJEFKZFBNHDZ-UHFFFAOYSA-N 438.234 4.372 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])c1 775103956 RWCDSHMHUBABJG-VIFPVBQESA-N 446.765 4.460 5 20 IIBD CCC(CC)[C@@H](NS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1)c1ccccc1 777883338 JMJNANNUYZHFCZ-HXUWFJFHSA-N 447.513 4.007 5 20 IIBD C[C@@H](C[C@H](O)c1cccs1)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 780959735 KTIFLBDYRGQCCX-VOJFVSQTSA-N 428.460 4.263 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc2cccc(Br)c2n1 781724619 SGKIOGKJYABFOY-UHFFFAOYSA-N 445.229 4.385 5 20 IIBD COc1cc(Br)ccc1CCC(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1 782438747 ULKALXAFGUHZAK-UHFFFAOYSA-N 435.230 4.183 5 20 IIBD COc1ccc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 782467181 IRKIQFAPEAAWMY-ZDUSSCGKSA-N 437.412 4.332 5 20 IIBD COc1ccc(NC(=O)c2c(C)c3cc(Br)ccc3oc2=O)cc1[N+](=O)[O-] 782472624 PGBGMDAHNGWCRU-UHFFFAOYSA-N 433.214 4.033 5 20 IIBD Cn1c([C@H](NCCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c2ccccc2)nc2ccccc21 782543107 BUSHXWPOIIMHHH-HSZRJFAPSA-N 447.470 4.328 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])c(F)c1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 783654135 AHHKZEOFAOXGLD-IBGZPJMESA-N 426.366 4.232 5 20 IIBD C[C@H]1CSc2ccccc2N1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 784038765 LXDUUXKXHUFSHN-JTQLQIEISA-N 429.317 4.047 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 788463979 NGAJMEIONGDJIP-JTQLQIEISA-N 427.244 4.269 5 20 IIBD O=C(O[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1cc(F)c(F)cc1[N+](=O)[O-] 789043314 QDMSBFHGKFHSFX-HNNXBMFYSA-N 431.178 4.142 5 20 IIBD O=C(COC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccc(N2CCCCC2)cc1 790741634 PFCIPNBFOZTOQQ-UHFFFAOYSA-N 449.866 4.102 5 20 IIBD C[C@@H](NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])c1nnnn1C1CC1 791231590 WDWVZPGBJVWBIA-LLVKDONJSA-N 444.904 4.212 5 20 IIBD CC(C)C(=O)Nc1ccc(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cc1 791244904 MVBKKTGCPJYOBP-UHFFFAOYSA-N 446.301 4.150 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)O[C@@H](C)c2ccnn2C)cc1[N+](=O)[O-] 791935255 OAUBJDHDNXXFGT-ZDUSSCGKSA-N 425.466 4.199 5 20 IIBD CCOC(=O)c1csc([C@@H]2CCCN2Cc2ccc(Br)c([N+](=O)[O-])c2)n1 792195655 DDCTWNVEIZMXQK-AWEZNQCLSA-N 440.319 4.328 5 20 IIBD COc1cccc([C@H](O)CN(Cc2ccccc2)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 792869055 ABHBKZYGENNSFC-HSZRJFAPSA-N 437.452 4.247 5 20 IIBD Cc1nc2c(s1)[C@@H](N(C)C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)CCC2 792984416 GYWSQGAUWNKDQH-INIZCTEOSA-N 430.530 4.132 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](F)c1ccc(C(F)(F)F)cc1 801896529 YRDUSQBXLBESCA-HNNXBMFYSA-N 425.294 4.418 5 20 IIBD Cc1cc(Br)c(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1N 803852338 SPECIKPKXBFANC-SNVBAGLBSA-N 447.245 4.216 5 20 IIBD CC(C)(C)OC(=O)N1CCC(c2csc(NC(=O)c3csc([N+](=O)[O-])c3)n2)CC1 807886075 VVMAPLAWDUXURJ-UHFFFAOYSA-N 438.531 4.480 5 20 IIBD CCOc1cc(COC(=O)C2(S(=O)(=O)c3ccccc3)CCCCC2)ccc1[N+](=O)[O-] 808612836 AKQAIGZGYIWSDV-UHFFFAOYSA-N 447.509 4.214 5 20 IIBD O=[N+]([O-])c1ccc(N2CCCCC2)c(-c2nc(-c3cncc(Br)c3)no2)c1 809291125 KFEHZUQWJCHLDN-UHFFFAOYSA-N 430.262 4.460 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(N2CCCNC2=O)cc1 812567244 CDTXHADJKDPIIB-GFCCVEGCSA-N 436.390 4.024 5 20 IIBD O=C(O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)c1cccc(OCc2cccnc2)c1 813171662 PNLVNDVITXYUKS-QHCPKHFHSA-N 433.464 4.000 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)CC2)C1 814340107 VMJVUCVVNUFYFG-UHFFFAOYSA-N 440.500 4.006 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 815216760 OWEVLBAVYGAMMT-STQMWFEESA-N 445.438 4.379 5 20 IIBD C[C@H](Cc1cnc2ccccc2n1)C(=O)O[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 816038103 JWBOUWNTNDSEOW-CRAIPNDOSA-N 438.459 4.068 5 20 IIBD CCCCCCC(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 827337877 FIUGYIGNRMVWCY-FOWTUZBSSA-N 439.921 4.371 5 20 IIBD CC(=O)c1cccc(NC(=O)[C@H](OC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C(C)C)c1 876822386 VXOAUYAWECBPOV-OAQYLSRUSA-N 439.468 4.192 5 20 IIBD COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C(=O)N2CCCCC2)cc1OC 914871230 XXVQXSBSXBXALM-UHFFFAOYSA-N 447.875 4.144 5 20 IIBD C[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccccc1 917725592 PPDXWKHRFJFLIQ-CQSZACIVSA-N 443.456 4.026 5 20 IIBD Cc1ccc2c(c1)S[C@H](C(=O)N1CCc3c(Br)ccc([N+](=O)[O-])c3C1)C2 1323359950 AUHCDQOUPXTDEM-SFHVURJKSA-N 433.327 4.267 5 20 IIBD O=[N+]([O-])c1ccc2nc(N3CCCN(Cc4cnc(-c5ccccc5)s4)CC3)[nH]c2c1 1325789531 IFLHKBWUAVGSHZ-UHFFFAOYSA-N 434.525 4.307 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CNc2cc(-c3cccnc3)nn2CCO)o1 1326576537 BHWWFQAKPYOUOO-UHFFFAOYSA-N 439.859 4.371 5 20 IIBD Cc1cccc(CN2CCCC[C@H]2C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 1328769492 GEUMCSDMTVUBOH-FQEVSTJZSA-N 445.903 4.093 5 20 IIBD Cc1ccc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c(Cl)n1 1346534424 VBQCFKVCAXVQCM-UHFFFAOYSA-N 443.813 4.325 5 20 IIBD Cc1c[nH]cc1C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])o3)cc2)CCC1 1786204736 PEYMISUFJMNJQB-VQHVLOKHSA-N 434.452 4.285 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)NC1(c2ccc(NC(=O)CCc3ccc[nH]3)cc2)CCC1 1788187615 VHEGRXXOKBKMNX-FMIVXFBMSA-N 448.479 4.296 5 20 IIBD Cc1ccn(C)c1C(=O)Nc1ccc(C2(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)CCC2)cc1 1790183290 QNTDOEJQSMWSTH-UHFFFAOYSA-N 448.479 4.009 5 20 IIBD CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3cccc([N+](=O)[O-])c3)n[nH]2)CCC1 1815535544 CMIMNCHBCYYCBA-IBGZPJMESA-N 439.516 4.133 5 20 IIBD Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)o1 1824684735 MIQNBCIDRFYJDS-HXUWFJFHSA-N 443.475 4.182 5 20 IIBD C/C=C/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(F)ccc([N+](=O)[O-])c2C)CC1 1830729725 USRGHFVCWOKMOI-KLQPVQNPSA-N 443.519 4.408 5 20 IIBD CC/C=C(\C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cc(F)ccc2[N+](=O)[O-])CC1 1832521603 LQHNRSYLHASFAX-FRKKFGCYSA-N 445.535 4.252 5 20 IIBD COc1cc(COC(=O)c2ccc(Br)s2)c([N+](=O)[O-])cc1OC(F)F 11321416 WVQDNVUVVFAALD-UHFFFAOYSA-N 438.202 4.386 5 20 IIBD CN(C)C(=O)c1ccc(NC(=O)CNc2cc([N+](=O)[O-])ccc2Nc2ccccc2)cc1 15333131 ZLNHWSKSPUSFAL-UHFFFAOYSA-N 433.468 4.091 5 20 IIBD O=C(CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)Nc1ccc(F)c(F)c1 15647520 BHAGOKGCFBHCKN-UHFFFAOYSA-N 443.431 4.393 5 20 IIBD COc1ccc(C(=O)N2CCC[C@@H](C(=O)OCc3ccc([N+](=O)[O-])cc3)C2)c2ccccc12 16915539 QBMSGPSNTDDIJM-GOSISDBHSA-N 448.475 4.352 5 20 IIBD COC(=O)c1c(COC(=O)c2cc([N+](=O)[O-])cn2C)nc2ccccc2c1-c1ccccc1 24536566 KUJRCMTXXFYMSJ-UHFFFAOYSA-N 445.431 4.292 5 20 IIBD CCCOc1c(Br)cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1OC 29891121 AAQBVYGEXIJZRX-UHFFFAOYSA-N 435.274 4.358 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H](C)c2ccccc2OC(F)F)cc1[N+](=O)[O-] 31917793 ABGMDTGDNSSHES-LBPRGKRZSA-N 426.441 4.315 5 20 IIBD O=C(Nc1nccs1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 57763228 VSVRLVXKIZSPBW-UHFFFAOYSA-N 429.527 4.130 5 20 IIBD O=C(Nc1nc2cc3c(cc2s1)OCCCO3)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 60612162 BFGQVSXHQVAPDC-UHFFFAOYSA-N 440.481 4.218 5 20 IIBD COc1ccc(OCCN(C)C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1 60637173 LTRVEWWYWZWVKO-UHFFFAOYSA-N 435.480 4.367 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1c(C)nn(-c2ccccc2C)c1C 63559715 VLHJHECGSBKYTH-UHFFFAOYSA-N 435.528 4.475 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H]2CCCN(C(C)C)C2)cc1 63693320 RJWXGTBTIDJVHF-KRWDZBQOSA-N 427.501 4.246 5 20 IIBD CC[C@@]1(c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2)CCC(=O)NC1=O 65139919 OBGRYSIDFIGDPA-QFIPXVFZSA-N 437.477 4.146 5 20 IIBD Cc1c(C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 69200759 IVUNLDMAEWBTEN-AWEZNQCLSA-N 442.453 4.247 5 20 IIBD Cc1c(C(=O)N(Cc2cccs2)Cc2cccs2)nnn1-c1cccc([N+](=O)[O-])c1 71880192 CCONWTPLCCFSNB-UHFFFAOYSA-N 439.522 4.450 5 20 IIBD Cc1ccc2cc(C(=O)N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)[nH]c2c1 105766603 GYUZNBJLVGSPKK-UHFFFAOYSA-N 432.402 4.366 5 20 IIBD CC(C)Oc1ccc(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cn1 108832338 AEVDDQRUQYERAI-INIZCTEOSA-N 435.484 4.275 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N(CCc1ccccc1)Cc1ccncc1 116483007 MUHGQQDUBDLFSH-UHFFFAOYSA-N 444.535 4.478 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNCCCOC[C@H]3CCOC3)o2)c(Br)c1 236568311 ORTOLGCBBSRXBL-CQSZACIVSA-N 439.306 4.150 5 20 IIBD COc1cccc(C2(F)CCN(C(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CC2)c1 410227437 NPIYYKFTMRWMRT-UHFFFAOYSA-N 438.459 4.105 5 20 IIBD Cn1ccc2c(NC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])cccc2c1=O 410360481 AFCBNIJLCLTDAO-UHFFFAOYSA-N 429.432 4.278 5 20 IIBD COc1ccc(-c2ccc(CN[C@H](Cc3c[nH]c4ccccc34)C(=O)O)o2)c([N+](=O)[O-])c1 426650127 ZUZBOPSEZGAUFY-HXUWFJFHSA-N 435.436 4.130 5 20 IIBD O=C(O)[C@H]1CC[C@H](CNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 426676561 DLCJSJUUMWOVHG-UAPYVXQJSA-N 434.496 4.428 5 20 IIBD COc1ccc(CSCC(=O)N(Cc2ccc(F)cc2)C2CCOCC2)cc1[N+](=O)[O-] 427764196 SPWXWHQHXASQIW-UHFFFAOYSA-N 448.516 4.184 5 20 IIBD C[C@H]1CCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC[S@@]1=O 430346914 YYGXETXKVUDQNK-OIJAAMDRSA-N 438.958 4.383 5 20 IIBD O=C(NCC1CCN(Cc2cccs2)CC1)c1ccc(Br)cc1[N+](=O)[O-] 431024313 LDPWMELHGKXRNZ-UHFFFAOYSA-N 438.347 4.061 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCCN(CCCc2ccccc2)CC1 431946285 ONMJYVPRVQSZPN-UHFFFAOYSA-N 446.345 4.138 5 20 IIBD CC(C)(C(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1csc(-c2ccccc2F)n1 432041664 LMRIOAVWICOXAZ-UHFFFAOYSA-N 428.489 4.363 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3cccc(SC)c3C)CC2)ccc1[N+](=O)[O-] 432368066 ODZGCZJRTMLNQW-UHFFFAOYSA-N 430.530 4.378 5 20 IIBD COC(=O)c1ccc(OC(C)C)c(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 432679752 JSTVHZJNCTVNOG-UHFFFAOYSA-N 437.246 4.183 5 20 IIBD O=C(Nc1nc(-c2ccncc2)n[nH]1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 433089856 PRSDFJLQJNFJLD-UHFFFAOYSA-N 436.815 4.473 5 20 IIBD C[C@@H](CCO)CNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 434402629 HMOMIJWSDFAVSZ-ZKMNFCBKSA-N 425.510 4.270 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1[N+](=O)[O-] 438250608 ZDJQQJWFXVQBCJ-OAHLLOKOSA-N 429.432 4.195 5 20 IIBD O=[N+]([O-])c1ccc(CN(c2ccccc2)S(=O)(=O)c2cnn(Cc3ccccc3)c2)cc1 439221669 HQGVHOMQSVTIND-UHFFFAOYSA-N 448.504 4.235 5 20 IIBD Cc1c(CC(=O)Nc2ccc(C(=O)NCc3ccccn3)c(Cl)c2)cccc1[N+](=O)[O-] 439849800 ICCKQTSJULEAAX-UHFFFAOYSA-N 438.871 4.063 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1 439882126 HTWHNERNZQZITE-UHFFFAOYSA-N 447.561 4.097 5 20 IIBD C[C@@](O)(CNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C1CC1 440558135 JHJQJWVBJUPGSN-UKQURCRRSA-N 437.521 4.412 5 20 IIBD COCc1nc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c(-c2ccccc2)s1 441159841 VKRJEFRCKOLCCX-UHFFFAOYSA-N 431.901 4.377 5 20 IIBD Cc1cncc(N(Cc2ccc(F)cc2)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1 441432864 XMEDMKFXGLFMIB-UHFFFAOYSA-N 431.427 4.470 5 20 IIBD Cc1c(NC(=O)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(C)C)cnn1CCC(C)C 441573581 QLNKXRFMDGPPIM-LJQANCHMSA-N 449.939 4.192 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1nc2ccccc2n1C(F)F 444664723 NAXLYNMORTYJJF-GFCCVEGCSA-N 433.415 4.028 5 20 IIBD Cc1occc1-c1nnc(Sc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])n1C 447668858 CWZIDFCHEJCSEA-UHFFFAOYSA-N 435.334 4.492 5 20 IIBD O=c1c2cccc(Br)c2ncn1Cc1ccc([N+](=O)[O-])cc1C(F)(F)F 448106868 GREDADCQLLTGLE-UHFFFAOYSA-N 428.164 4.134 5 20 IIBD CNC(=O)Cn1ccc2ccc(NC(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)cc21 461643861 WJGLTAHHUHXLJN-UHFFFAOYSA-N 443.463 4.291 5 20 IIBD CS(=O)(=O)c1cccc(N[C@H]2C[C@H](c3ccc(Br)cc3)C2)c1[N+](=O)[O-] 461892730 YVDUTDHIDFUIPR-MQMHXKEQSA-N 425.304 4.119 5 20 IIBD CC(C)(C)n1cnc(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)n1 462122573 UDXUYHKZLMIRIQ-UHFFFAOYSA-N 447.854 4.456 5 20 IIBD CCc1nc(C)c([C@@H](C)N(C)S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])s1 462337146 FECPUJMAIOJTDS-SNVBAGLBSA-N 448.364 4.066 5 20 IIBD C[C@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])c1cccc(NC(=O)c2ccccc2)c1 463388907 DDOVTTCRCZFRDZ-KRWDZBQOSA-N 432.480 4.161 5 20 IIBD CCOc1cc(NC(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OCC 466074287 UUXVWUWJWMBVNH-IIBYNOLFSA-N 429.473 4.292 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NCC2(CCO)CCCC2)c([N+](=O)[O-])c1 467014584 OVRRGYOIIRLSCQ-UHFFFAOYSA-N 447.557 4.165 5 20 IIBD CC(C)Nc1ccc(F)cc1NC(=O)c1ccc([N+](=O)[O-])cc1I 470101892 FMTDMXHAXAYZHT-UHFFFAOYSA-N 443.216 4.411 5 20 IIBD CCOc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 473208483 NHRMZNJOXAJWOF-GOSISDBHSA-N 433.892 4.489 5 20 IIBD COc1cc(CCNC(=O)N[C@@H](C)c2cc3cccc(F)c3o2)c([N+](=O)[O-])cc1OC 473458929 DNBWMVYUULCBTE-LBPRGKRZSA-N 431.420 4.100 5 20 IIBD C[C@H](c1nnc(SCc2nc3ccc([N+](=O)[O-])cc3[nH]2)n1-c1ccc(F)cc1)N(C)C 473794057 AIJYUBSOGYEQHO-GFCCVEGCSA-N 441.492 4.106 5 20 IIBD CC(C)c1ccc(C(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCCN(C)C3)cc2)cc1[N+](=O)[O-] 473843747 OTMFTTOEODOGOP-HXUWFJFHSA-N 438.528 4.137 5 20 IIBD COC(=O)COc1ccc(CN2CC=C(c3c(C)[nH]c4ccccc34)CC2)cc1[N+](=O)[O-] 475582587 KKTDKKXMQQGBIB-UHFFFAOYSA-N 435.480 4.226 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCNC2(c3cc(C(F)(F)F)ccc3Cl)CC2)cc1 485029298 WMLDMZOBIGBNEN-UHFFFAOYSA-N 448.850 4.320 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCC(CN(C)Cc3ccccc3)CC2)cc1SC 486471737 JDOZUTUQBBEAFA-UHFFFAOYSA-N 443.569 4.310 5 20 IIBD CSc1nc(C(C)C)nc(C)c1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 486715488 VYCYAYMHAGWLBI-UHFFFAOYSA-N 428.436 4.487 5 20 IIBD CSc1cccc(C(=O)N2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)c1[N+](=O)[O-] 486965341 IUNKOTQUPGLCRH-QUCCMNQESA-N 425.554 4.443 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 488076601 QQLFWCKEZYVKON-GOSISDBHSA-N 442.274 4.366 5 20 IIBD Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)cccc1N1CCNC1=O 488616063 CGNWIFQTSQVXJL-UHFFFAOYSA-N 428.514 4.433 5 20 IIBD O=C(NC1(Cc2ccc(F)cc2Br)CCOCC1)c1ccc([N+](=O)[O-])s1 498540004 MQIMSFVMGDGPCK-UHFFFAOYSA-N 443.294 4.080 5 20 IIBD CSCC(C)(C)C(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 500010284 LNWYEWBWNVSBSX-UHFFFAOYSA-N 437.543 4.032 5 20 IIBD C[C@H](NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1cccc(Cl)c1Cl 502263269 XNTPOWGMLDVXMP-LBPRGKRZSA-N 436.295 4.270 5 20 IIBD COc1cc(CSCc2ncn(-c3ccccc3)n2)c([N+](=O)[O-])cc1OCC(F)F 502437722 CVSBKHAWYXHVAF-UHFFFAOYSA-N 436.440 4.261 5 20 IIBD CCOc1ccc([C@@H](C)N[C@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)cc1[N+](=O)[O-] 504927115 MSYMUNNTLQDFNC-IAGOWNOFSA-N 449.573 4.436 5 20 IIBD CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 505417187 WETAOINAAYJJAD-OAHLLOKOSA-N 438.347 4.328 5 20 IIBD Cn1cc(C(=O)N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 505563642 APMTUDYOJVCUOJ-CRAIPNDOSA-N 430.386 4.300 5 20 IIBD O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1 505814140 VZTYZTKUOYBIPW-MLGOLLRUSA-N 438.324 4.247 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 506281875 PRULGRGCCSNSIH-UHFFFAOYSA-N 428.832 4.458 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 507396632 DYLDDYTZJKBXLN-SJORKVTESA-N 439.365 4.144 5 20 IIBD O=C(C1CCN(c2ccc3cccc(O)c3n2)CC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 509275901 VIWXMYGRXNWLSM-UHFFFAOYSA-N 446.507 4.256 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2nnc(-c3ccsc3)s2)cc1[N+](=O)[O-] 510605036 HWTYXLOTZWPEQZ-UHFFFAOYSA-N 425.289 4.498 5 20 IIBD CN(CCc1nccs1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 511238916 GCXHLDNVJBGOMM-UHFFFAOYSA-N 447.520 4.148 5 20 IIBD COc1cc([C@H](C)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1OC(C)C 512964219 NMCCNDPBULBDIQ-LBPRGKRZSA-N 428.894 4.084 5 20 IIBD Cc1ccc(CN[C@@H](c2cccc([N+](=O)[O-])c2)c2nccn2C)c(OC[C@H]2CCCO2)c1 513716372 ASFNXLRAKGIYGW-GGAORHGYSA-N 436.512 4.074 5 20 IIBD O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1c[nH]c2cc([N+](=O)[O-])ccc12 514846394 NXGAUIUBONSGLC-UHFFFAOYSA-N 433.493 4.343 5 20 IIBD O=C(Nc1nc(-c2cccc(Br)c2)cs1)c1cc2c(cc1[N+](=O)[O-])OCO2 515335848 DEYKSAVFZKLNRT-UHFFFAOYSA-N 448.254 4.462 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 515623952 FJHCEQYNWDBAOL-UKILVPOCSA-N 443.503 4.391 5 20 IIBD CN(C(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1)c1ccccc1 515654789 BIDJILCFBBDJLO-UHFFFAOYSA-N 445.884 4.326 5 20 IIBD CC[C@H](c1ccccc1)c1nnc(NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)s1 518041325 WPRUWXXXGVWPNW-QGZVFWFLSA-N 449.496 4.130 5 20 IIBD Cc1ccc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c(OCc2ccccc2)c1 518289668 PEOWLTFUOIFIBE-UHFFFAOYSA-N 433.464 4.241 5 20 IIBD COc1cc(Cl)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)cc1C 519843966 OUGDPDUTNWHOBN-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccc(COCC(F)(F)F)cc1 521278259 MJTBZHKOYLEACF-LBPRGKRZSA-N 446.809 4.411 5 20 IIBD Cc1ccc(Br)cc1NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 523275365 UGNXSQJKGASTMQ-GOSISDBHSA-N 446.301 4.217 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCCc1ccc(OC(F)(F)F)cc1 523955657 CEZOAAUZQUNRGL-UHFFFAOYSA-N 432.782 4.275 5 20 IIBD O=C(NCCc1nc2cc(Cl)ccc2s1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 531035765 WENXXLLPPUWCJM-UHFFFAOYSA-N 427.873 4.016 5 20 IIBD Cc1nc(CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)oc1-c1ccc(Cl)cc1 531877455 RZHKTKAOFSDQBY-UHFFFAOYSA-N 430.848 4.090 5 20 IIBD CCc1ccc(-c2nc(CN3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)cs2)cc1 532731195 HPGOHEMUPQRURU-UHFFFAOYSA-N 436.537 4.239 5 20 IIBD O=C(CN1CCC(Oc2ccc(F)cc2F)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] 532918566 QEBURJCMGRHYHP-UHFFFAOYSA-N 425.819 4.008 5 20 IIBD Cn1cc(CSc2nc3cc([N+](=O)[O-])ccc3n2-c2cccc(C(F)(F)F)c2)nn1 534198492 VKMPMFNYSYNJKC-UHFFFAOYSA-N 434.403 4.373 5 20 IIBD CC(C)CCSc1ccc(C(=O)N=c2nc(-c3cccnc3)[nH]s2)cc1[N+](=O)[O-] 534436576 LIUZIQXKFJFDAO-UHFFFAOYSA-N 429.527 4.321 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2cnn(C(C)C)c2c1 534957941 PPPNYXHTHSXPOC-UHFFFAOYSA-N 442.497 4.433 5 20 IIBD CCn1ncc2c(C(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc34)cc(-c3ccccc3)nc21 535457641 XIYSKOMQWOOJHP-UHFFFAOYSA-N 427.424 4.155 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N[C@@H]3CCO[C@]4(CCOC4)C3)cc2[N+](=O)[O-])cc1 536580456 GFEARFVAWWMGJY-VGOFRKELSA-N 428.510 4.122 5 20 IIBD CC(C)C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1nc(-c2nc[nH]n2)no1 537023293 SSEJBUROEPCRDC-INIZCTEOSA-N 439.501 4.368 5 20 IIBD O=C(c1ccccc1)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2nc[nH]n2)c1 537729723 ILRLQUHREDUQKS-UHFFFAOYSA-N 445.460 4.347 5 20 IIBD CCC[C@H](NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 540170606 LAXIEEPJZOPBHI-QFIPXVFZSA-N 431.558 4.020 5 20 IIBD C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 543130885 XMBYXPVUVRNKFD-NVXWUHKLSA-N 433.961 4.367 5 20 IIBD Cc1ccc(-c2nc(C)c([C@H](C)NC[C@@H](O)COc3cccc([N+](=O)[O-])c3)s2)cc1 543515730 KELVCQDWKBLABX-HNAYVOBHSA-N 427.526 4.426 5 20 IIBD Cc1ccc(Nc2nnc(Sc3sc(S(C)(=O)=O)cc3[N+](=O)[O-])s2)cc1 543959577 HKPJMHQJRUJTDP-UHFFFAOYSA-N 428.542 4.115 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CCCN(Cc2cccs2)C1 544226619 OZLBHSFKTALWBD-CQSZACIVSA-N 439.990 4.430 5 20 IIBD CCc1nc([C@@H](C)N[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cs1 544468616 FYYQIAYTGJJDFZ-VXGBXAGGSA-N 431.543 4.415 5 20 IIBD COc1ccc(CN2CCC(CNC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)CC2)cc1 545154271 HKOHHZSKNHNQDM-UHFFFAOYSA-N 443.519 4.049 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3nc(-c4ccc(OCC(F)F)nc4)no3)cs2)cc1 545844348 JYYRJCIGEICIJK-UHFFFAOYSA-N 431.380 4.474 5 20 IIBD COc1cc(-c2noc(Cc3cccc([N+](=O)[O-])c3C)n2)ccc1OC[C@@H]1CCCO1 546284021 HYORJCGTQDDERI-KRWDZBQOSA-N 425.441 4.110 5 20 IIBD CCCc1noc2nc(-c3ccco3)cc(-c3nc(Cc4ccc([N+](=O)[O-])cn4)no3)c12 546495081 QCVBDHWYJDOHJQ-UHFFFAOYSA-N 432.396 4.379 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 549380239 QDLIPBDGJCCLGR-GOSISDBHSA-N 447.417 4.470 5 20 IIBD Cc1ccc([C@@]2(C)CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3C[C@@H]3CCOC3)C2)cc1 550017730 KSMGVFXRWYCROM-DFBJGRDBSA-N 447.539 4.366 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CCS(=O)(=O)c2ccccc21 551536915 VKVAMZOZTPYHOR-HXUWFJFHSA-N 438.461 4.287 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@](C)(Cc1ccccc1)[C@H](C)O 552175995 TUDOMZWEALIZBJ-VBKZILBWSA-N 435.318 4.025 5 20 IIBD O=C(NC[C@@H](NCc1ccccc1)c1ccco1)c1ccc([N+](=O)[O-])cc1Br 553216249 UXXDHAHSFVPFIL-GOSISDBHSA-N 444.285 4.211 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2 559519401 KIDINGXQHCBTLP-NSHDSACASA-N 432.274 4.041 5 20 IIBD O=[N+]([O-])c1cccc(CN(c2nnc(-c3cccnc3)n2Cc2ccccc2)C2CC2)c1 571579785 BFRKWIHZLWHPCY-UHFFFAOYSA-N 426.480 4.466 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCCN(C4CCCC4)CC3)n2Cc2ccccc2)c1 573261642 OORZJPPGOXGWIC-UHFFFAOYSA-N 446.555 4.356 5 20 IIBD CCCCOc1ccc(OC)cc1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 575152060 JOSZMSOVDDOCIX-UHFFFAOYSA-N 428.489 4.136 5 20 IIBD O=C(Cc1noc(-c2cc([N+](=O)[O-])ccc2C(F)(F)F)n1)Nc1ccc(Cl)cc1 575161692 NTNMQWAWJHQRQM-UHFFFAOYSA-N 426.738 4.498 5 20 IIBD COc1ccc(CN2CC[C@H](N3CCCC3)[C@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 575164047 SKDZYPDJFNLVDT-GCJKJVERSA-N 425.529 4.241 5 20 IIBD CC1(C)CN(CC2CN(C(=O)COc3ccccc3[N+](=O)[O-])C2)c2cc(C3CC3)ccc21 577074789 LBZPFTXPIJXZHJ-UHFFFAOYSA-N 435.524 4.107 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2nccc(C(F)F)n2)cc1 579154654 JNDCECFMJBZKLU-UHFFFAOYSA-N 430.367 4.053 5 20 IIBD O=C(Nc1ccc2nccnc2c1Br)c1cc([N+](=O)[O-])ccc1OC(F)F 579771642 SZSAWACLTUBBNC-UHFFFAOYSA-N 439.172 4.154 5 20 IIBD COCCN(Cc1ccccn1)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 579818542 KRESCYBYVLHHFI-UHFFFAOYSA-N 443.507 4.491 5 20 IIBD COc1cccc(OC(F)(F)F)c1CN[C@H](c1cccc([N+](=O)[O-])c1)c1nccn1C 584282597 AKHLEQRMVZSKMM-GOSISDBHSA-N 436.390 4.115 5 20 IIBD O=[N+]([O-])c1cc(NCc2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1C(F)(F)F 589108070 LAXMPPWMTVYMDZ-UHFFFAOYSA-N 429.420 4.010 5 20 IIBD Cc1nc(NC(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)ccc1-c1ccccc1 589402174 OHKNKUDDTIFYKP-UHFFFAOYSA-N 432.480 4.043 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)cc1[N+](=O)[O-] 602094452 YLRMESWNECNREW-UHFFFAOYSA-N 425.438 4.030 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@@H](c3ccccc3)C(F)(F)F)cc2)c(C)c1[N+](=O)[O-] 603810431 WLDBFTOQADXTHH-IBGZPJMESA-N 432.402 4.490 5 20 IIBD Cc1c(NC(=O)[C@H](C)Sc2nnc(C)n2CCc2cccs2)cccc1[N+](=O)[O-] 609009343 SQBKUSCPYKSCCQ-ZDUSSCGKSA-N 431.543 4.227 5 20 IIBD COc1ccc(CC(=O)N(C[C@@H]2CCCO2)c2ccc(Br)cc2)cc1[N+](=O)[O-] 609010725 FSLXHMOOKJFYBQ-KRWDZBQOSA-N 449.301 4.121 5 20 IIBD CCc1ccc([C@H](NC(=O)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)c2cccs2)cc1 609053629 IRDVFVOYEZLGDR-QFIPXVFZSA-N 447.520 4.383 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 609647022 QGDCVEHUKFXGTE-AWEZNQCLSA-N 425.432 4.101 5 20 IIBD O=C(CCn1cnc2ccccc2c1=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609756071 VXVZEJUPZSAXBS-UHFFFAOYSA-N 430.420 4.126 5 20 IIBD CC(C)n1cc([C@@H](C)NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cn1 609859892 RCPAEHZPRBWPQM-LLVKDONJSA-N 437.287 4.356 5 20 IIBD Cc1nc([C@H]2CCCCN2C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)no1 609975685 QZRAJRQJORNULW-IFXJQAMLSA-N 436.472 4.222 5 20 IIBD COc1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)c2ccccc2Cl)c(OC)c1 610305867 LWSTUPRDZFJKGN-HXUWFJFHSA-N 429.860 4.123 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 611562229 VRQKUIXWZRTZLX-OPAMFIHVSA-N 449.511 4.241 5 20 IIBD CC(C)(C)OC(=O)c1ccccc1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 615296562 WSPWVBVRGAUJNW-UHFFFAOYSA-N 443.475 4.291 5 20 IIBD C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2Cc3ccccc3-c3ccccc3C2)C1=O 726183589 HCLURCVIKSGCEI-VWLOTQADSA-N 442.475 4.002 5 20 IIBD CCc1cccc[n+]1/C(C(=S)Nc1ccc(OC)nc1)=C(/O)c1cccc([N+](=O)[O-])c1 726960409 LZLVHVRNKRECPY-UHFFFAOYSA-O 437.501 4.172 5 20 IIBD COc1ccc(-c2ccc(/C=C3/N=C(c4ccc(OC(C)=O)cc4)OC3=O)o2)c([N+](=O)[O-])c1 727290650 ARYGKQRNNWZAIN-YBFXNURJSA-N 448.387 4.133 5 20 IIBD C[C@@]1(NC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)CCS(=O)(=O)C1 727765932 NKOFDBBMXPJROM-RUZDIDTESA-N 433.529 4.240 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1 730181346 NVVPEELELMKZTK-UHFFFAOYSA-N 435.839 4.031 5 20 IIBD CCCCN(CC(F)(F)F)C(=O)c1ccc(I)c([N+](=O)[O-])c1 730476076 ZCTFDODBQJPBQN-UHFFFAOYSA-N 430.164 4.004 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 730873506 MFUYLILQKMRNIU-KPOBHBOGSA-N 434.448 4.431 5 20 IIBD O=C(Nc1cccc(-c2ccc3c(c2)OCCO3)n1)c1cc([N+](=O)[O-])ccc1N1CCCC1 731017900 IDJGXSBOOXQOMF-UHFFFAOYSA-N 446.463 4.281 5 20 IIBD O=C(NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)ccc1Cl 732496023 UVHZQNPDGQZLFF-UHFFFAOYSA-N 430.869 4.175 5 20 IIBD C[C@@H](CC(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(F)cc1 733521070 HGINHWASRDMHCN-NSHDSACASA-N 428.338 4.428 5 20 IIBD C[C@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H](C)N1C(=O)OC(C)(C)C 733624588 MBJMHFJNERRXAL-RYUDHWBXSA-N 444.435 4.058 5 20 IIBD CCc1ccc(OC(=O)CCC[S@@](=O)c2ccc(Br)cc2)c([N+](=O)[O-])c1 735216751 KLEVHPLLQSDGEI-AREMUKBSSA-N 440.315 4.413 5 20 IIBD CCCNC(=O)c1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Br 739523658 QCKQYPDCMJVJCA-UHFFFAOYSA-N 440.681 4.403 5 20 IIBD Cc1cc(N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 740868938 FVDNSNPICIBOHK-KDOFPFPSSA-N 427.505 4.100 5 20 IIBD CCc1cc(N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 740869202 IDBQONAXHBVFTI-KXBFYZLASA-N 441.532 4.354 5 20 IIBD COc1ccc(C[C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)C2)cc1 741719660 MZQMOXUNTIFCJQ-QGZVFWFLSA-N 427.457 4.223 5 20 IIBD CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)CC1 742186578 OGQARQRCSMHATO-LJQANCHMSA-N 435.546 4.206 5 20 IIBD C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1 742626179 ULTIFEALUZFJKR-VQIMIIECSA-N 446.548 4.033 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2cccc(N3CCCNC3=O)c2)CC1 742794817 NFJXKUJKEWMSMN-UHFFFAOYSA-N 437.500 4.003 5 20 IIBD CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 742798866 YSIZVQJBBVFGIE-HRAATJIYSA-N 446.525 4.403 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl 743197318 LQNOFQKWNMPHAN-VHSXEESVSA-N 429.231 4.463 5 20 IIBD O=C(N[C@H](c1ccccc1)C1CCOCC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 743614282 BEOYHLOQFKMLDJ-HSZRJFAPSA-N 439.512 4.316 5 20 IIBD CCN(CC1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1)C(=O)OC(C)(C)C 744713869 OXZOBCMSJJVZNS-UHFFFAOYSA-N 444.532 4.045 5 20 IIBD COc1ccc(OCCOC(=O)c2[nH]c3ccccc3c2Br)c([N+](=O)[O-])c1 744745473 AXMQQNZMJWMTAB-UHFFFAOYSA-N 435.230 4.083 5 20 IIBD COCCN1CC[C@@H](NC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)C1 746235307 SFJMKVWWKNDDDX-OAQYLSRUSA-N 428.532 4.384 5 20 IIBD CCc1ccc(C(=O)OCC(=O)Nc2ccc(Br)cc2Cl)cc1[N+](=O)[O-] 747011540 SYBYFWXSYCKHCU-UHFFFAOYSA-N 441.665 4.369 5 20 IIBD CC[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)c1ccc(NC(C)=O)cc1 748889065 PXKQVCGNBROCGE-KRWDZBQOSA-N 449.257 4.134 5 20 IIBD CC(C)(C)OC(=O)Nc1cc2c(cc1NC(=O)CSc1ccccc1[N+](=O)[O-])OCO2 750085820 OKKHXFNLPIKQBE-UHFFFAOYSA-N 447.469 4.401 5 20 IIBD CN(C)CCc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cc1 750864848 URGFGSAHJFEJMO-UHFFFAOYSA-N 426.698 4.367 5 20 IIBD O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 751137198 YMRUUKRIXKPNCY-UHFFFAOYSA-N 430.892 4.315 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)C(=O)NCCC1=CCCCC1 751690712 DKPIXMLSZPVMHL-NSHDSACASA-N 443.269 4.048 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)cc1[N+](=O)[O-] 753076894 CLSDDQLAGYNXLV-CYBMUJFWSA-N 444.868 4.054 5 20 IIBD Cc1cccc(-c2nnc(COC(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)o2)c1 753137367 QQABRJPJTIJIFN-UHFFFAOYSA-N 432.230 4.381 5 20 IIBD CCOc1ccccc1C(F)(F)C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 753494070 LOVZXPCGBDEZBO-LBPRGKRZSA-N 433.367 4.440 5 20 IIBD CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)n[nH]1 754427370 SACFDARNSQMOJQ-HTQZYQBOSA-N 430.690 4.133 5 20 IIBD COc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1 755205655 KKOPWXOYJAFHFT-QHCPKHFHSA-N 445.475 4.461 5 20 IIBD CC[C@@H]1CN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC[C@@H]1NC(=O)OC(C)(C)C 757044502 YYEZPHCNHTYLBG-DYVFJYSZSA-N 440.928 4.083 5 20 IIBD COc1ccc(-c2ncc(C(=O)O[C@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)s2)cc1 759945359 HPDDFXNJWPDQPA-HOTGVXAUSA-N 428.470 4.264 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1cnc2ccccc2c1 762639046 ZMUYFJARMCXOJD-UHFFFAOYSA-N 426.450 4.155 5 20 IIBD O=C(NCCc1ccccc1)c1ccccc1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 762935977 GLFHJNKWNJGJDA-UHFFFAOYSA-N 428.448 4.301 5 20 IIBD O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1cc([N+](=O)[O-])ccc1Br 763711021 GXCBYIDFKYLFIP-SNVBAGLBSA-N 442.672 4.159 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(N(C)C(=O)C(C)(C)C)cc1 769904585 HVDASXSFGZTWSW-UHFFFAOYSA-N 440.905 4.333 5 20 IIBD CCCCC[C@H](c1nc(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)no1)C(C)C 771053761 GSQSCIXQPGNNCH-AWEZNQCLSA-N 432.477 4.250 5 20 IIBD CC(C)Oc1ccc(Br)cc1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 771452690 FCVURFOAUCMOOI-UHFFFAOYSA-N 433.262 4.133 5 20 IIBD NC(=O)c1ccc(CNc2cc([N+](=O)[O-])ccc2Sc2cccs2)c([N+](=O)[O-])c1 771886246 ONOJHTKSUMGWTQ-UHFFFAOYSA-N 430.467 4.427 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CCC[C@H](C[C@@H]2CCOC2)C1 773932823 MEJSSPDKOINBJA-NEPJUHHUSA-N 431.714 4.290 5 20 IIBD CN(Cc1cccc(C(F)(F)F)c1)C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 776592044 XIJMQRYWMAWYFE-OAQYLSRUSA-N 437.462 4.243 5 20 IIBD COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 778211241 XWYUBOARPGXATQ-UHFFFAOYSA-N 430.766 4.082 5 20 IIBD COc1cccc(-n2nc(C)c([C@@H]3COCCN3c3c(F)cc([N+](=O)[O-])cc3F)c2C)c1 779607983 GEAGHXVVYNKHCK-FQEVSTJZSA-N 444.438 4.262 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CC=C(c2cccc3ccccc23)C1 779682379 VYQGNGDEFVASFN-UHFFFAOYSA-N 429.476 4.124 5 20 IIBD C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)[C@@H]1C 781255472 DMGPFHGQQJWUGR-VPZZIHKRSA-N 442.462 4.057 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 781368501 BIAULPQSRSVVHY-KRWDZBQOSA-N 435.524 4.201 5 20 IIBD COc1ccc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC1CCCC1 781603533 WTGYBTQNDMZKKU-UHFFFAOYSA-N 429.429 4.404 5 20 IIBD C[C@@H](OC(=O)C(C)(C)CC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 781751421 GJYVJQMDOZKURC-CYBMUJFWSA-N 432.860 4.418 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](OC(=O)[C@@H]1CC12CCOCC2)c1ccccc1 786451109 ANSRPZAUPKRAMY-LPHOPBHVSA-N 444.871 4.288 5 20 IIBD O=C(COC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])Nc1ccc(Cl)cn1 787248156 QSLRRFTYTMFMSE-UHFFFAOYSA-N 441.827 4.018 5 20 IIBD O=C(NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1)c1cc(F)c(F)cc1[N+](=O)[O-] 787987515 RIFLCKRAOBGVDA-GOSISDBHSA-N 440.402 4.130 5 20 IIBD C[C@H]1CN(Cc2ccccc2NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@@H](C)O1 790840121 VDGVZIGZSMQLET-OKILXGFUSA-N 435.883 4.178 5 20 IIBD COc1cc(C(=O)N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)cc([N+](=O)[O-])c1C 791030808 GTHXTWZSZCQCPD-UHFFFAOYSA-N 447.532 4.165 5 20 IIBD CCC[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@@H](O)c1ccccc1 792581402 LNNWQGOZCPPVHN-YOEHRIQHSA-N 425.254 4.129 5 20 IIBD CC(C)c1[nH]nc(C(=O)OCc2nnc(-c3c(Cl)cccc3Cl)o2)c1[N+](=O)[O-] 796256443 NTRHGCWNMANWIB-UHFFFAOYSA-N 426.216 4.155 5 20 IIBD COc1ccc2cc(NC(=O)C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)ccc2c1 807306762 BVGHYCSWTIVROM-UHFFFAOYSA-N 444.241 4.096 5 20 IIBD CCN(CC)CCOC(=O)c1cccc(C)c1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 808826869 XFTCFAITGJOMFV-UHFFFAOYSA-N 439.468 4.400 5 20 IIBD COc1cc(CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)cc(Br)c1OC 809913616 PHSDNARZIPIDLN-UHFFFAOYSA-N 444.669 4.350 5 20 IIBD C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811215981 GPVIKYMAUYHOTH-ZDUSSCGKSA-N 435.502 4.265 5 20 IIBD C[C@@H](OC(=O)c1ccc2c(c1)CCCCC2=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 811422114 HRPNDWMXKJTUNB-GFCCVEGCSA-N 430.844 4.341 5 20 IIBD O=C(O[C@H](c1nc2ccccc2o1)C(F)(F)F)c1ccn(-c2ccccc2[N+](=O)[O-])n1 816063564 NQUFWOIWZDZELO-MRXNPFEDSA-N 432.314 4.382 5 20 IIBD O=C(Nc1ccc2oc(CN3CCCC3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 816766400 VDHQRSPBTIPGLS-UHFFFAOYSA-N 435.484 4.184 5 20 IIBD COc1ccc(NC(=O)c2ccccc2NC(=O)CCNc2ccccc2[N+](=O)[O-])cc1 819087836 PAANTPUIWZQDBF-UHFFFAOYSA-N 434.452 4.296 5 20 IIBD COc1ccc([C@H](C)NC(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)cc1Br 854300879 CJIDXNSACNOIKB-VIFPVBQESA-N 429.217 4.444 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C(=O)N2CCc3sccc3C2)C(C)C)c1 878282246 RQUOLFVXZKWASI-GOSISDBHSA-N 434.539 4.145 5 20 IIBD COc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc1OCC(F)(F)F 914743243 YDVLEDMEGXEMJQ-UHFFFAOYSA-N 429.307 4.013 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)OCc1csc(-c2ccc(Cl)cc2)n1 915522878 UZAIRFXATZYJKX-UHFFFAOYSA-N 428.857 4.465 5 20 IIBD Cc1oc(-c2cccs2)nc1C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 915564821 JPOSRBFSXIFNJQ-SNVBAGLBSA-N 435.845 4.457 5 20 IIBD COc1cc(C)c([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1OC 915869128 UVESCZWBODEQMP-MRXNPFEDSA-N 427.501 4.402 5 20 IIBD CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc1 916072099 XNYANQDTWZHKKW-CQSZACIVSA-N 443.460 4.176 5 20 IIBD O=C(OCC(=O)c1cc(Br)sc1Br)c1cccc([N+](=O)[O-])c1 917216771 UZGFQKZFUMOYLO-UHFFFAOYSA-N 449.076 4.221 5 20 IIBD COCCOc1ccc(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c(C)c1 917641175 UCKCBYJJROKXSS-CYBMUJFWSA-N 441.406 4.386 5 20 IIBD Cn1cc(C(=O)OCC(=O)c2cccc(C(F)(F)F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 920550350 IOEBRFGRHWNNTG-UHFFFAOYSA-N 433.342 4.054 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCc1cc(Cl)c2c(c1)OCCO2 920777246 ILDHGPOSHRLCKS-JTQLQIEISA-N 428.224 4.184 5 20 IIBD CCOCCCn1c(-c2ccc(C)cc2C)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1263294030 JDUCFACTUWPSEE-UHFFFAOYSA-N 435.528 4.459 5 20 IIBD CC1=C(C(=O)N(C)C)[C@H](c2cc(Cl)ccc2[N+](=O)[O-])NC(=S)N1c1ccccc1F 1319015511 GHYWIGVJGXXGAU-SFHVURJKSA-N 448.907 4.185 5 20 IIBD O=C(NCCN[C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccccc1C(F)(F)F 1320577047 HOJWGUIFRSBBJY-DNVCBOLYSA-N 435.446 4.344 5 20 IIBD CCCc1c(-c2nnc(COc3ccccc3[N+](=O)[O-])o2)nnn1-c1cccc(Cl)c1 1345740568 QIUSQPGCPSUAMK-UHFFFAOYSA-N 440.847 4.410 5 20 IIBD COc1cc(CC(=O)Nc2ccc(C3(NC(=O)CC(C)C)CCC3)cc2)ccc1[N+](=O)[O-] 1790478108 VMUTZVHIAWRGNM-UHFFFAOYSA-N 439.512 4.326 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C2(NC(=O)c3ccc[nH]3)CCC2)cc1 1790794349 NAWBESQJOVCSRJ-UHFFFAOYSA-N 447.495 4.050 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@H]3CCCS3)cc2)CCC1)c1cccc(F)c1[N+](=O)[O-] 1792014883 YXVABIOSKPUGGS-GOSISDBHSA-N 443.500 4.377 5 20 IIBD Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2cccs2)C3)cc(Cl)cc1[N+](=O)[O-] 1800711050 LWFJWQIGDOQMJJ-MUJYYYPQSA-N 447.944 4.113 5 20 IIBD CC1(C(=O)N2CCC3(CCCN(C(=O)Cc4cc([N+](=O)[O-])ccc4F)C3)CC2)CCCC1 1806653717 CHYHRJXBGORXEV-UHFFFAOYSA-N 445.535 4.088 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(C)C)[nH]n1 1821345541 MXKCPWPRNRFNMP-KRWDZBQOSA-N 443.504 4.074 5 20 IIBD CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)CCCC1 1823839515 DBILLSPHAGIZOT-QFIPXVFZSA-N 441.572 4.337 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1824347265 SZGJSFVPNFPYLW-HRAATJIYSA-N 433.524 4.403 5 20 IIBD O=C(CC1CCCC1)N1CC2(CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 1845738647 INLUBAUSUHXBKD-UHFFFAOYSA-N 427.526 4.207 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1oc2ccccc2c1COC(C)C 10915162 JCWKOUHYSLWMKH-UHFFFAOYSA-N 426.425 4.370 5 20 IIBD COc1ccccc1CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 15514964 OIZQERFFMHZAOH-UHFFFAOYSA-N 439.855 4.439 5 20 IIBD CC(C)CNc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)s1 18663640 HLPOOIKBTLYBJL-UHFFFAOYSA-N 446.352 4.008 5 20 IIBD CC(C)[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)OCCCO2 19352752 NEBUPIAQFMHHKS-OAQYLSRUSA-N 434.876 4.302 5 20 IIBD COc1cc(C(=O)Nc2ccnn2Cc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])cc1OC 26794057 OJBQSPPJWREWRK-UHFFFAOYSA-N 438.484 4.407 5 20 IIBD COc1ccc(NC(=O)COc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)cc1 28609951 BZGLGZBPLRRRCM-UHFFFAOYSA-N 446.415 4.394 5 20 IIBD CCOc1cc(C(=O)NCc2ccc(CN3CCC(C)CC3)cc2)c([N+](=O)[O-])cc1OC 46735268 PZHHMIAXDURDKH-UHFFFAOYSA-N 441.528 4.164 5 20 IIBD COc1ccc([C@@H](CNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])N2CCCCC2)cc1 105431875 SCHJVNDMWZRDAG-HSZRJFAPSA-N 440.544 4.381 5 20 IIBD Cc1cc(C(=O)N[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] 107647843 DAPQMFGJYOPFGU-QGZVFWFLSA-N 435.402 4.016 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cccc(OCc2cscn2)c1 107693012 WAUJRPMLHIHAPT-UHFFFAOYSA-N 438.421 4.037 5 20 IIBD O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 107786502 FFFGENIKUHZQBV-UHFFFAOYSA-N 442.357 4.237 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(COc3ccc(S(=O)(=O)c4ccccc4)cc3)n2)c1 107810727 VHBHBXXOEJFUGZ-UHFFFAOYSA-N 437.433 4.057 5 20 IIBD CC(C)NC(=O)c1ccc(N(C)CC(=O)Nc2c(Cl)cccc2Cl)c([N+](=O)[O-])c1 301110709 WMUBNBQYFOKMDN-UHFFFAOYSA-N 439.299 4.115 5 20 IIBD COc1cccc([C@H]2C[C@@H](O)CN2c2c([N+](=O)[O-])cnc3ccc(Br)cc23)c1 409653368 QLTLKBVAMZZBDL-RDTXWAMCSA-N 444.285 4.226 5 20 IIBD CS(=O)(=O)c1cc(SCc2c(F)ccc(Br)c2F)ccc1[N+](=O)[O-] 409848341 CAYMNUBTGPTKDM-UHFFFAOYSA-N 438.271 4.331 5 20 IIBD O=C(Nc1ccccc1I)c1ccc(Br)cc1[N+](=O)[O-] 429934708 VTAXJVZREOUARG-UHFFFAOYSA-N 447.026 4.214 5 20 IIBD CN(Cc1ccccc1NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 431089910 WKYREOMROXOZLH-UHFFFAOYSA-N 431.558 4.344 5 20 IIBD CCN(C(=O)COc1c(Br)cccc1[N+](=O)[O-])[C@H](C)c1ccc(F)cc1 431226338 RZNMBMJFSIZZGF-GFCCVEGCSA-N 425.254 4.485 5 20 IIBD COc1cc(S(=O)(=O)Nc2ccc(-c3ccc(Cl)s3)cn2)ccc1[N+](=O)[O-] 433132704 GXZMOZZVDITPTA-UHFFFAOYSA-N 425.875 4.181 5 20 IIBD Cc1ccsc1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435502070 SLCPKBNHDJJYET-UHFFFAOYSA-N 433.536 4.432 5 20 IIBD C[C@@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)C1CC1 435546794 XBMXDNZJLSABFL-ZDUSSCGKSA-N 441.871 4.267 5 20 IIBD Cc1ncc(-c2ccccc2)cc1NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 437047183 ZRMCUTIAFSSRRK-UHFFFAOYSA-N 430.464 4.095 5 20 IIBD CCCOc1cc(NC(=O)c2nc(-c3cnn(C)c3)oc2C)c([N+](=O)[O-])cc1OCCC 437433742 SHAPGHVHBFMHEW-UHFFFAOYSA-N 443.460 4.122 5 20 IIBD Cc1ccnc(-c2cccc(NC(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)c2)n1 438161552 BVFFYTUSNLILPZ-UHFFFAOYSA-N 433.468 4.436 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N(Cc2cccc(F)c2)C2CC2)cc1[N+](=O)[O-] 439251773 XDWCENFRCOFKLI-UHFFFAOYSA-N 443.294 4.158 5 20 IIBD COc1cc(OCC(=O)N(Cc2ccc(F)cc2)c2cncc(C)c2)ccc1[N+](=O)[O-] 441406350 LXQSXKBWUNEMJP-UHFFFAOYSA-N 425.416 4.058 5 20 IIBD CC(C)c1ncc(CN(C)C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cn1 441433303 YYWGYUOEIYAZEH-IAGOWNOFSA-N 425.533 4.263 5 20 IIBD Cc1sc([C@@H](C)NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)nc1-c1ccc(Cl)cc1 442545940 UXXHIHROUQYQGC-LLVKDONJSA-N 444.900 4.496 5 20 IIBD Cc1oc(-c2cccs2)nc1CS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 443206336 GBCNVXKIAWJEKI-UHFFFAOYSA-N 443.300 4.356 5 20 IIBD COc1cccc([C@@H]2[C@H](c3nc(Cc4ccc([N+](=O)[O-])c(C)c4)no3)CC(=O)N2C2CC2)c1 445238382 WNNJCFDKALLLDC-AUSIDOKSSA-N 448.479 4.105 5 20 IIBD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NC[C@H]2CCN(c3cccc(Br)c3)C2)n1 447544669 VKKUOGKSZQVGDY-ATZDWAIDSA-N 448.365 4.154 5 20 IIBD Cc1nnc(-c2cccc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)c2)n1C 448185833 RWMZQMJSVGXBHH-UHFFFAOYSA-N 434.500 4.187 5 20 IIBD O=C(Cc1noc(CCCNc2ccc([N+](=O)[O-])cc2)n1)Nc1cccc(C(F)(F)F)c1 460150945 NSXQGIUIRXPOEY-UHFFFAOYSA-N 449.389 4.223 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCCC2(CCOCC2)C1 461003024 DBVRGTWGYDNTGA-UHFFFAOYSA-N 439.299 4.120 5 20 IIBD COc1ccc([C@@H]2CCCN2c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCOC2)cc1 461577560 MWFXTJIUYDVBGT-JTSKRJEESA-N 449.511 4.240 5 20 IIBD CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 462483708 GGMRCTLDQKJJNU-PKOBYXMFSA-N 426.517 4.090 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnc(C(F)(F)F)cc1C 464655071 DEFJBSCESYXJFP-UHFFFAOYSA-N 443.403 4.225 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CCCC3(CCCCCC3)C2)ccc1[N+](=O)[O-] 464662826 JCUGRCXKYGQHDE-NRFANRHFSA-N 427.545 4.471 5 20 IIBD CCOc1ccccc1[C@H](CC(C)C)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 470247438 MCYPWJWLDROZOL-SFHVURJKSA-N 428.485 4.211 5 20 IIBD Cc1nc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)ccc1[N+](=O)[O-] 475314636 RRUUGJWKFFSRAU-UHFFFAOYSA-N 431.427 4.471 5 20 IIBD CCC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 475824319 AWJRUAWMYCNEIM-UHFFFAOYSA-N 447.694 4.404 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)N(CCCn1ccnc1)Cc1c(F)cccc1Cl 477231426 YJZCKUORCNLTQW-UHFFFAOYSA-N 448.857 4.385 5 20 IIBD O=C(CN[C@@H](c1ccccc1)c1nccs1)Nc1ccc([N+](=O)[O-])cc1Br 479867893 VRMAVBBATQKMSL-KRWDZBQOSA-N 447.314 4.132 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 482358682 NDPDDGSURZFCFI-NTKDMRAZSA-N 432.480 4.158 5 20 IIBD COc1ccccc1-c1csc(C2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)n1 483048356 HXSHLAYHPNGTJU-UHFFFAOYSA-N 439.493 4.452 5 20 IIBD CCOc1ccc2nc(N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])nn3C)sc2c1 483918270 QHTIPDNVQHEVHS-UHFFFAOYSA-N 437.481 4.184 5 20 IIBD CN(C)[C@@H](C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1c(F)cccc1Cl 486743774 FWKJVOKALMTCHO-MRXNPFEDSA-N 433.789 4.325 5 20 IIBD COc1cccc(C[C@@]2(C(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)C[C@H]3CC[C@H]2C3)c1 487104365 ZZBKXPPUOKFXHN-AXHZCLLHSA-N 438.528 4.013 5 20 IIBD CC[C@@H](C)NC(=O)CCNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 487791804 MTQIYFASZUPQBS-CYBMUJFWSA-N 449.891 4.084 5 20 IIBD CC[C@@H](C)[C@](C)(O)CNc1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1[N+](=O)[O-] 488151162 RBWRHCPMWASECU-IIBYNOLFSA-N 435.546 4.019 5 20 IIBD COc1ccc(CN2CCC(CNC(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 489416293 VTUIONZRDJVVAT-SFHVURJKSA-N 440.544 4.184 5 20 IIBD Cc1ccc([C@H](C)NC(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)cc1[N+](=O)[O-] 489436446 MZJSOAQMOOPYQZ-INIZCTEOSA-N 433.468 4.111 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N[C@H]2CCCN(c3ccccc3Cl)C2=O)cc1[N+](=O)[O-] 489552979 PCJVGTUXAQVWNX-PBHICJAKSA-N 430.892 4.112 5 20 IIBD CCOc1ccc(-n2c(SCCc3ccc([N+](=O)[O-])cc3)nnc2-c2cnccn2)cc1 489626449 RIQAKCZWJVCVGA-UHFFFAOYSA-N 448.508 4.366 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CCNC(=O)Nc1ccc(Br)cc1 490823463 GEPNSTGHZMSGKA-UHFFFAOYSA-N 435.278 4.124 5 20 IIBD C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 491344848 AVKVDZWYJFFXFC-OALUTQOASA-N 436.556 4.425 5 20 IIBD CC(C)c1ccc2c(c1)[C@H](NC(=O)c1ccc(Sc3nncn3C)c([N+](=O)[O-])c1)CC2 492893098 QCJFGACRUGFDCJ-GOSISDBHSA-N 437.525 4.415 5 20 IIBD Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 493152110 KPTOWHNBQNSTCK-ZDUSSCGKSA-N 438.406 4.386 5 20 IIBD CCc1cnccc1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 496147008 JPHMUVQOOCXXNE-UHFFFAOYSA-N 442.522 4.020 5 20 IIBD O=C(N[C@@]1(Cc2ccc(Cl)cc2)CCOC1)c1ccc([N+](=O)[O-])cc1Br 500315048 JOFSPZJCJYANNU-GOSISDBHSA-N 439.693 4.142 5 20 IIBD CCCN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@H](C)CC(=O)Nc1ccccc1 500689125 QYMBVGACAJULNF-QGZVFWFLSA-N 435.484 4.050 5 20 IIBD CC[C@H]1C[C@]1(NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1cccc(C)c1 501630823 WTEBYSYCAKTGAG-KSFYIVLOSA-N 437.525 4.238 5 20 IIBD CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 502353417 ONHCMOJKAOZXSL-LPHOPBHVSA-N 432.546 4.209 5 20 IIBD O=C(Cn1ccc([N+](=O)[O-])n1)Nc1nc(-c2ccc(OCc3ccccc3)cc2)cs1 505090114 XXJBWTFJZQLQMD-UHFFFAOYSA-N 435.465 4.133 5 20 IIBD O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 509403637 PHGJPAVILAKXKT-LBPRGKRZSA-N 440.834 4.095 5 20 IIBD COC(=O)Cc1sc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)nc1-c1ccccc1 509573799 SNJIZJSFCDNGKD-UHFFFAOYSA-N 436.449 4.167 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1c(F)cc(F)cc1F 510099908 PWQJGOXEIFNJDU-UHFFFAOYSA-N 436.127 4.177 5 20 IIBD Cc1c(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cccc1S(=O)(=O)NC1CC1 512652072 HUXOIERMQBAJFY-UHFFFAOYSA-N 444.538 4.080 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1 512876662 VASYGIHTEYKMLJ-QGZVFWFLSA-N 442.541 4.379 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN(c2ccccc2F)S(C)(=O)=O)cc1OC 513602511 GVYILIDBUYJVDF-CQSZACIVSA-N 440.493 4.134 5 20 IIBD Cc1cc(Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)c([N+](=O)[O-])cc1C(F)(F)F 518222523 WIWDTRVQWQQLQQ-UHFFFAOYSA-N 440.403 4.255 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 518444301 WCHPDNNMFOWLMU-UHFFFAOYSA-N 449.442 4.083 5 20 IIBD O=C(NCCc1ccc(OCc2ccccc2)cc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 520027431 RENZKQORZBXSPY-UHFFFAOYSA-N 442.475 4.332 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc(F)c(C(F)(F)F)c1 520035414 LAOWQMQPSPHXCY-UHFFFAOYSA-N 427.310 4.080 5 20 IIBD C[C@@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C(c1ccccc1)c1ccccc1 521843042 WUMDVCIKAXXDGJ-QGZVFWFLSA-N 427.464 4.126 5 20 IIBD COCCOC1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 522639284 CTMOYSOWIUQIPU-UHFFFAOYSA-N 434.876 4.308 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 522963031 YCHOLULJDLLSSJ-OAHLLOKOSA-N 442.472 4.282 5 20 IIBD Cc1cccc(Oc2cc(CNC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)ccn2)c1C 525724935 GTWDQYWOBXGCKL-UHFFFAOYSA-N 435.436 4.100 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCCc2nc3cc(Cl)ccc3s2)cc1OC 531035766 WLXJZGGDGKRDAQ-UHFFFAOYSA-N 435.889 4.238 5 20 IIBD COc1ccc([C@H](C)NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1Br 534632169 QLQYQJNPSJIWRY-NSHDSACASA-N 432.274 4.267 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cnn(-c2ccccc2Br)c1 534719706 DNLYNXKWLGXVIR-UHFFFAOYSA-N 440.257 4.206 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1Cc1ccc(C)cc1 536472511 NXJHVAGECKGSET-GOSISDBHSA-N 442.537 4.406 5 20 IIBD COc1cc(CN2CCO[C@H](c3cccc(F)c3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F 536682619 MNSITBPPEHHRBO-IBGZPJMESA-N 444.381 4.257 5 20 IIBD CCOC(=O)c1sc2ncc(S(=O)(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)cc2c1C 536900724 ONCIYCVASZGXSA-UHFFFAOYSA-N 449.510 4.107 5 20 IIBD Cc1ccc(Sc2ccc(CN[C@@H]3CCC[C@@H](S(C)(=O)=O)C3)cc2[N+](=O)[O-])cc1 539519872 VHEDPIZYNOFHNT-IEBWSBKVSA-N 434.583 4.500 5 20 IIBD Cc1c(NC(=O)CCN2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)cccc1[N+](=O)[O-] 540863821 FIXVMWBFJSLGGH-GOSISDBHSA-N 440.548 4.277 5 20 IIBD C[C@H](O)C[C@H](C)NC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 543044673 XBMGMMJOAWYNIR-RYUDHWBXSA-N 425.844 4.138 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 543346785 BBGZWPPRPZESGM-DHSIGJKJSA-N 449.866 4.092 5 20 IIBD Cc1ccc(CN2CCOCC2)cc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 544050095 GMIYXPMQFMJXMB-UHFFFAOYSA-N 435.933 4.120 5 20 IIBD Cc1c(Br)cc(-c2nc(-c3ccccc3N3CCOCC3)no2)cc1[N+](=O)[O-] 546325931 SWYKQEQLTPZKAA-UHFFFAOYSA-N 445.273 4.219 5 20 IIBD Cc1ccc(OCCc2nc(CCNc3ccccc3[N+](=O)[O-])no2)c(Br)c1 546377059 KUHXEWGJWFNGFU-UHFFFAOYSA-N 447.289 4.325 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(OC)c(Br)c(OC)c2)c1 548968397 VKBYENWMNDCQIO-UHFFFAOYSA-N 425.235 4.026 5 20 IIBD CCCc1[nH]nc(C(=O)NCc2ccc(Oc3cc(OC)cc(OC)c3)cc2)c1[N+](=O)[O-] 552652286 BHLUBLMKTJSAGN-UHFFFAOYSA-N 440.456 4.010 5 20 IIBD O=C(Nc1cc(F)c(Br)c(Cl)c1)c1cc([N+](=O)[O-])cc2c1OCCO2 552758127 UYKNIBOIRBGQLK-UHFFFAOYSA-N 431.601 4.173 5 20 IIBD CCc1ccc([C@@H](CNC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)N(CC)CC)cc1 554451927 LRDYJFULMZGXTE-JOCHJYFZSA-N 436.512 4.224 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1nc(C(C)(C)C)cs1 560225244 HFUDMUPMWCNWKY-LBPRGKRZSA-N 432.546 4.462 5 20 IIBD CC(=O)Nc1ccc(SCc2cc(I)cc([N+](=O)[O-])c2)cc1 562040054 CZMFHPZAYZNMNL-UHFFFAOYSA-N 428.251 4.450 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 562139874 HKUUXDCEUVDZLN-UHFFFAOYSA-N 426.473 4.027 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1noc([C@@H]2CN(Cc3ccccc3)CCC2(F)F)n1 563652406 XEIRWKHZNVQCRG-KRWDZBQOSA-N 443.454 4.257 5 20 IIBD Cc1cnc(N2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)nc1-c1ccccc1F 564303765 LYRHXBPYZPSQBS-UHFFFAOYSA-N 447.474 4.092 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CN[C@H]2CCOC3(CCCCC3)C2)c1 568332781 RCIHINVGRIUAQQ-HNNXBMFYSA-N 430.286 4.171 5 20 IIBD O=C(NC[C@@H](OCC1CC1)c1ccc(Cl)cc1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 569835377 QEPXAOXCZZXKOV-HXUWFJFHSA-N 441.871 4.400 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn(-c2cccc(Br)c2)c1 583526965 IZABQFHLKZLXHF-UHFFFAOYSA-N 431.246 4.194 5 20 IIBD O=C(Nc1nc(SCc2ccccc2)ns1)N1CCOc2ccc([N+](=O)[O-])cc2C1 589334643 LGPZSWMIDYZSGE-UHFFFAOYSA-N 443.510 4.165 5 20 IIBD CCn1nc(C(C)C)cc1C(=O)N(CCOC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603563620 ZUKNBZVNRFPFDL-UHFFFAOYSA-N 443.529 4.351 5 20 IIBD CN(CCCOc1ccc(Cl)cc1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 604007312 ILXQKDAJORGBLN-UHFFFAOYSA-N 431.920 4.392 5 20 IIBD O=C(CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)Nc1ccccc1 604046894 CRUNQZPBNOXLGE-OAQYLSRUSA-N 438.871 4.156 5 20 IIBD CN(Cc1csc2ccccc12)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 604146827 JIEDDTLJITYIJU-UHFFFAOYSA-N 435.408 4.008 5 20 IIBD CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 604447524 XWWMZXDMCNKMPM-UHFFFAOYSA-N 433.346 4.010 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N(CCc1ccccn1)Cc1ccc(F)cc1 608880857 LKNYWFQEPBNDLP-UHFFFAOYSA-N 445.454 4.200 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])NCc1ccccc1-c1ccc(Cn2cccn2)cc1 608913433 HEFNILHUYKLXBT-UHFFFAOYSA-N 442.475 4.202 5 20 IIBD CCCOc1ccc(CN(CCC)C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cc1OC 608932837 YRYPIHPDSXHVGP-UHFFFAOYSA-N 444.484 4.216 5 20 IIBD O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1cc([N+](=O)[O-])cc2c1OCCO2 608935489 XCOJDFHWBSGSOB-UHFFFAOYSA-N 437.433 4.166 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@@H](c2cccc(Br)c2)C1 609792805 ITISHJTUEKXPPQ-QGZVFWFLSA-N 439.693 4.153 5 20 IIBD Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 609908452 ASWGGMVKKBOZQG-GOSISDBHSA-N 433.493 4.259 5 20 IIBD CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H](C)c1ccccc1 609958490 WZRAVASSPYISNU-RDJZCZTQSA-N 446.935 4.068 5 20 IIBD CCOC(=O)c1ccnc(N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1[N+](=O)[O-] 609961458 RMJXDZUUGYPZQP-MYJAWHEDSA-N 429.317 4.488 5 20 IIBD Cc1ccc(NCCCNC(=O)CCc2nnc(-c3cc4ccccc4o3)o2)c([N+](=O)[O-])c1 610052737 NGLYHAZUZFUTAY-UHFFFAOYSA-N 449.467 4.250 5 20 IIBD C[C@H]1CN(c2ccccc2NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 610093439 KDQRTRTVEBFGGL-ROUUACIJSA-N 426.517 4.353 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N[C@H]3CCN(C(=O)C4CCCC4)C3)c([N+](=O)[O-])c2)cc1 610770516 FKYAXJLSUXFSHU-FQEVSTJZSA-N 436.512 4.359 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H](CO)Cc3ccco3)o2)c(Br)c1 610871125 HBRVXCQYLXXUGK-CYBMUJFWSA-N 435.274 4.151 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNc3cccc(N4CCCS4(=O)=O)c3)s2)cc1 610909709 QLVZCQLHWPRBKN-UHFFFAOYSA-N 429.523 4.475 5 20 IIBD CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 611252920 ZHFHYSKVPMDVGI-UHFFFAOYSA-N 444.875 4.080 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N2C[C@H](C(F)(F)F)CC[C@@H]2C)cc1[N+](=O)[O-] 611542328 IDOYDBUGQSSNOX-WCBMZHEXSA-N 445.257 4.017 5 20 IIBD O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@]2(C1)C(=O)Nc1ccccc12 614547217 UOZANNJJTNGFGT-XMMPIXPASA-N 428.448 4.074 5 20 IIBD CC(C)[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)N(C)c1ccccc1 725984727 AXXWVIPSVDYCLA-KRWDZBQOSA-N 435.274 4.202 5 20 IIBD CCc1cccc[n+]1/C(C(=S)NCCc1ccccn1)=C(/O)c1ccc(C)c([N+](=O)[O-])c1 726177528 AIWOMTNJDCGMDZ-UHFFFAOYSA-O 449.556 4.192 5 20 IIBD CCn1cc(Br)cc1C(=O)OCc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] 726817808 YJQMDFRHMAZNOR-UHFFFAOYSA-N 449.204 4.146 5 20 IIBD COc1ccccc1/C(C)=C\C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 727577207 DZRBOEBWSCRUCF-XFXZXTDPSA-N 438.358 4.207 5 20 IIBD COc1ccc(CC(=O)O[C@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)cc1[N+](=O)[O-] 727885330 CMBVTQKQDXMGDG-HZPDHXFCSA-N 436.464 4.108 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)N2c3ccccc3CC[C@H]2C)cc1SC 728649643 OIHWMBJUNGYDMG-ZIAGYGMSSA-N 444.509 4.239 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1cnn(-c2ncccc2Cl)c1C(F)(F)F 730470775 NNZDOYRSPINZJH-UHFFFAOYSA-N 447.707 4.378 5 20 IIBD C[C@H](OC(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 730632200 URFKZCNUDKAZHD-LBPRGKRZSA-N 447.419 4.265 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)c1c(Cl)cccc1[N+](=O)[O-] 730642315 BFECTAFCFNQJMC-SNVBAGLBSA-N 427.240 4.403 5 20 IIBD O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H]1COC(=O)C1(c2ccc(F)cc2)CCC1 730705702 ZDNJYWJRSGGTAJ-SFHVURJKSA-N 426.444 4.004 5 20 IIBD CC1=C(C(=O)OC(C)C)[C@@H](c2cc([N+](=O)[O-])c(F)cc2F)NC(=O)N1Cc1ccccc1 731420063 FYZIPIANYRBPID-HXUWFJFHSA-N 445.422 4.365 5 20 IIBD O=C(Nc1ccc(N2CCc3sccc3C2)cc1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 731455692 QYIBOIBCDATZTK-UHFFFAOYSA-N 446.492 4.052 5 20 IIBD Cc1csc(SCc2ccccc2C(=O)NCCOc2ccc([N+](=O)[O-])cc2)n1 731586479 CRGWHUBKACXKQI-UHFFFAOYSA-N 429.523 4.461 5 20 IIBD Cc1cc(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)c(N)c([N+](=O)[O-])c1 731838635 MNYBLZOXBSSKHR-UHFFFAOYSA-N 445.479 4.328 5 20 IIBD COc1ccc(CSCC(=O)N2[C@@H](C)[C@@H](c3ccccc3)OC[C@H]2C)cc1[N+](=O)[O-] 732022523 OGLGKHXKJIEGIM-VVBPWWLESA-N 430.526 4.214 5 20 IIBD COC(=O)[C@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(Cl)c1 733823173 GFPWLJDVWJYBFG-MRXNPFEDSA-N 432.841 4.443 5 20 IIBD O=C(COC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccc(C(F)(F)F)c1 735150179 ZJKHKBSFQRMRFG-UHFFFAOYSA-N 446.765 4.218 5 20 IIBD CCCCS(=O)(=O)Oc1ccc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1OC 742270481 WOANEVQGTKEHLK-SFHVURJKSA-N 432.498 4.094 5 20 IIBD CN(C)c1ccc(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cc1F 743861639 MBFDFZXSYRXOBD-GOSISDBHSA-N 443.475 4.042 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@@](C)(OC)c3ccccc3)CC2)ccc1[N+](=O)[O-] 744202797 FORVPJFNTUFFFM-QHCPKHFHSA-N 428.485 4.067 5 20 IIBD COc1ccc(OCCOC(=O)c2ccccc2C(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1 744481349 QOHFHPZJOMDVEZ-UHFFFAOYSA-N 435.432 4.379 5 20 IIBD O=C(COC(=O)Cc1cccc([N+](=O)[O-])c1)Nc1cccc(CSc2ccccn2)c1 745334247 SMNKMINIUNASJD-UHFFFAOYSA-N 437.477 4.007 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2sc3ccc(OC)cc3c2C)c([N+](=O)[O-])c1 745340222 SUBGFFYDBYLESB-GFCCVEGCSA-N 444.465 4.319 5 20 IIBD Cc1c(Br)cccc1C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 745519686 HAYYZEQBWMAHNS-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD COc1ccc(C(=O)OCc2nc3ccccc3c3ccccc23)cc1N1CCNC1=O 747716729 YWBSGUGRIQMHNA-UHFFFAOYSA-N 427.460 4.283 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1F 747957792 BDYXIYRYTZSDOY-LBPRGKRZSA-N 429.429 4.350 5 20 IIBD COc1cccc2c1OCC[C@H]2NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 750864270 INVULBIZFDVBHG-GFCCVEGCSA-N 441.665 4.273 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 753377882 XWGLQJOCFRUIOF-HSZRJFAPSA-N 446.548 4.306 5 20 IIBD CCOC(=O)N1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 754164416 VCGDXMRXVGPDBJ-UHFFFAOYSA-N 435.546 4.228 5 20 IIBD Cc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)n(Cc2ccccc2)n1 754968645 OXIISRFNPOFOAA-UHFFFAOYSA-N 433.237 4.302 5 20 IIBD O=C(Nc1nc(-c2ccc(F)cc2)ns1)c1cc(F)cc([N+](=O)[O-])c1Br 755007482 IIHRVCNCJOOGGL-UHFFFAOYSA-N 441.213 4.406 5 20 IIBD CCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 755470244 WOUKRFYCWJRBNA-SFHVURJKSA-N 426.391 4.040 5 20 IIBD CCn1ncc(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1-c1ccccc1 755723037 ISZICQLBANQRRF-AWEZNQCLSA-N 433.424 4.446 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c(C)c1 756530911 YSFSQGJXGOWAOR-CYBMUJFWSA-N 435.274 4.087 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@@H](c2nc(Cc3cc(Br)ccc3F)no2)C1 761655156 ZPANSIUQUJTGGS-MRXNPFEDSA-N 447.220 4.336 5 20 IIBD COc1cc(Cl)c(C(=O)COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cc1OC 762978996 JQGNIYGKOKIXBE-UHFFFAOYSA-N 439.823 4.108 5 20 IIBD O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc([N+](=O)[O-])c(Cl)c1 764143115 QKTKHVYCCQIGMU-UHFFFAOYSA-N 429.782 4.356 5 20 IIBD Cc1sc(S(=O)(=O)Nc2cccc(CC[C@H](O)c3ccccc3)c2)cc1[N+](=O)[O-] 767456588 JBDKSRGDAZSINB-IBGZPJMESA-N 432.523 4.432 5 20 IIBD O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)nc(O)n2CC(F)(F)F 767479670 BXZPIVHNFPKZMF-UHFFFAOYSA-N 429.738 4.223 5 20 IIBD C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1Cc1ccc(Br)c([N+](=O)[O-])c1 770386250 MECPGQFGXQPHEO-JSGCOSHPSA-N 428.327 4.092 5 20 IIBD CC[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H](O)c1c(F)cccc1F 771702456 UESOOTIFDRXRKJ-QAPCUYQASA-N 433.436 4.239 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)O[C@H](C)C(=O)N(C)Cc2ccccc2)CC1 772451429 WEPVQPNLEUWJHO-GOSISDBHSA-N 439.512 4.035 5 20 IIBD CS[C@H]1CC[C@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)C1 772476779 BPQNOVBZVHKKQR-AAEUAGOBSA-N 437.568 4.146 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN(C(=O)Cn2ncc4ccc([N+](=O)[O-])cc42)C3)cs1 772859978 WFFUBZPKFDSXIC-UHFFFAOYSA-N 439.522 4.023 5 20 IIBD C[C@H]1C[C@@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1C(=O)OC(C)(C)C 773774747 DYFQWTIKUXSSOS-ZFWWWQNUSA-N 446.529 4.236 5 20 IIBD COc1cc(C(=O)OCC2(c3ccccc3)CCOCC2)c([N+](=O)[O-])cc1OC(F)F 774373543 ATNYKYWGPSRSNG-UHFFFAOYSA-N 437.395 4.110 5 20 IIBD O=[N+]([O-])c1cc(Cl)c2c(cnn2CN2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c1 774637780 DAJGVLXFYUZYIB-QGZVFWFLSA-N 438.818 4.230 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 774638194 DZQSIUCCCXVXNS-UONOGXRCSA-N 437.928 4.181 5 20 IIBD Cc1cc(F)cc(C(=O)N2CCO[C@H](c3ccc(F)c(Br)c3)C2)c1[N+](=O)[O-] 775170654 CUDBFHBWFZNWQE-INIZCTEOSA-N 441.228 4.158 5 20 IIBD O=C(O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1ccc(CN2CCCC2=O)cc1 776132065 HWBLESHNJWQTIY-QHCPKHFHSA-N 431.448 4.059 5 20 IIBD O=C(Nc1ccc(N2CCc3sccc3C2)nc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 777931195 PEHQEAQXSOOMND-UHFFFAOYSA-N 430.436 4.345 5 20 IIBD C[C@@H](NC(=O)CC(C)(C)C)C(=O)O[C@@H](c1ccc(Br)cc1)C(C)(C)[N+](=O)[O-] 778723986 HWFSIIGWOPCWTK-WBMJQRKESA-N 443.338 4.030 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc(CC(=O)O[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)c1 778791559 GNRMRRJQMNCCFP-HXUWFJFHSA-N 441.484 4.306 5 20 IIBD Cc1noc(C)c1COc1ccccc1C(=O)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 778794832 PNRYNZFMCMZLJK-LJQANCHMSA-N 437.452 4.214 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NS(=O)(=O)c1ccccc1C(F)(F)F 780299833 XMHJLQSCSVNKJX-UHFFFAOYSA-N 448.444 4.234 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)O[C@H](C)c2nc(C3CC3)cs2)ccc1[N+](=O)[O-] 781187871 DGWRNNMVTCUWHP-FZKQIMNGSA-N 429.498 4.146 5 20 IIBD COc1ccc(C(=O)c2ccccc2C(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 781289486 JUFUBUQBULCSCI-HNNXBMFYSA-N 448.431 4.018 5 20 IIBD O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 781678232 PXEDZBDDAMHRNN-UHFFFAOYSA-N 435.295 4.116 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1I)c1ccc(Cl)cn1 781713014 ACTOTTMECDLGJA-MRVPVSSYSA-N 432.601 4.166 5 20 IIBD CCCN(C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)C1CCN(C(=O)OC(C)(C)C)CC1 782625131 JJKLNURZKAQHHX-UHFFFAOYSA-N 436.509 4.247 5 20 IIBD CCc1nnc(CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 784043602 CVMYBFKEHMLNCW-UHFFFAOYSA-N 438.918 4.058 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@H]21 784506554 SCVVBDORSDPWSV-PWIZWCRZSA-N 442.516 4.375 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NCc1cc([N+](=O)[O-])ccc1Cl 787283524 OJGLCXRODYMILY-UHFFFAOYSA-N 432.742 4.175 5 20 IIBD COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)OCc2ccc([N+](=O)[O-])cc2Br)c1 788194555 RMSBNOOOZPADLL-GOEBONIOSA-N 436.258 4.221 5 20 IIBD CCC[C@@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 788585910 XOGPFRVVFPRIOK-HRAATJIYSA-N 425.533 4.235 5 20 IIBD O=C(CN1CCC(COc2ccc(Cl)nc2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] 789311498 LTIDOBBYHZYPQZ-UHFFFAOYSA-N 439.299 4.026 5 20 IIBD COc1ccc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c(OCCOC(C)C)c1 789617204 VAIYZUXMNDAIAY-UHFFFAOYSA-N 436.892 4.333 5 20 IIBD Cc1cc(Cl)ccc1NC(=O)[C@@H](C)OC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790743314 LYDJOWSPVFGXOQ-SNVBAGLBSA-N 429.231 4.462 5 20 IIBD CCC[C@H](NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)[C@H](O)c1ccccc1 792570029 GNFAQZBTPHXMIL-JTHBVZDNSA-N 436.512 4.089 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cc(Cl)cc(F)c1Br 792698615 JPUWRIXHUHBNBZ-UHFFFAOYSA-N 446.612 4.373 5 20 IIBD O=C(COC(=O)CCc1cccc(Cl)c1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 792755497 HEZSSTXWSAZSRG-UHFFFAOYSA-N 430.766 4.382 5 20 IIBD CC(C)n1ncc2cc(CN3CCc4c(Br)ccc([N+](=O)[O-])c4C3)cnc21 792898958 AWSBTOLNEQBVPN-UHFFFAOYSA-N 430.306 4.241 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(-c3ccc4ncccc4c3)on2)ccc1Cl 795652670 PCQQEEDGAPGLII-UHFFFAOYSA-N 430.829 4.252 5 20 IIBD CC(C)(C)CS(=O)(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 799753734 PUUKEWSIPIJITE-UHFFFAOYSA-N 426.878 4.255 5 20 IIBD O=C(Nc1cccc(Br)c1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 801944503 WOJFLWFSDDFYNS-UHFFFAOYSA-N 439.697 4.365 5 20 IIBD O=C(OCc1c(F)cc([N+](=O)[O-])cc1F)c1cc(O)nc2c(Br)cccc12 803381886 AGHZWWWRYUZJON-UHFFFAOYSA-N 439.168 4.246 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N(C)c3ccc4c(C)cc(=O)oc4c3)cc2)c(C)c1[N+](=O)[O-] 805355908 MACOLACIWAYZGM-UHFFFAOYSA-N 446.463 4.148 5 20 IIBD C[C@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(S[C@@H]2CCCCNC2=O)cc1 809049589 YQPUUMMLVKXEPF-MGPUTAFESA-N 428.510 4.203 5 20 IIBD CC(C)(C)OC(=O)NCc1cccc(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)c1 809388790 DMQBYROBUJLRLL-UHFFFAOYSA-N 439.472 4.324 5 20 IIBD Cc1cc(NC(=O)[C@H](C)SCC(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])no1 811049978 PUJOHCQSLBJRSN-VIFPVBQESA-N 448.284 4.002 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC12CCC2 816857416 GXJAQRABVKOESG-HNNXBMFYSA-N 428.489 4.128 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCC[C@H]1c1ccc(Br)cc1 917817703 KJVHYCCDHVTPJU-KRWDZBQOSA-N 429.274 4.071 5 20 IIBD COc1ccc(Br)c(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 918111217 IKZYGQRRXPUKJM-UHFFFAOYSA-N 448.317 4.286 5 20 IIBD Cc1nc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])sc1Cc1ccccc1F 918195340 OERDFZHYSUCAAT-UHFFFAOYSA-N 425.438 4.030 5 20 IIBD CCNc1ccc(C(=O)OCC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-] 918854676 RXYQBOAYHKWRCF-AWEZNQCLSA-N 425.441 4.149 5 20 IIBD CN(Cc1cc(Cl)cc(Cl)c1)C(=O)COC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 919213501 LUFRHVKIJPTMRW-UHFFFAOYSA-N 437.235 4.463 5 20 IIBD COCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1cc(Cl)ccc1[N+](=O)[O-] 920992814 HCXDZNHSYQHRPJ-UHFFFAOYSA-N 448.781 4.310 5 20 IIBD COC(=O)c1ccc(C(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)o1 1116317584 VQPUPCJXFNIDRE-UHFFFAOYSA-N 444.783 4.099 5 20 IIBD O=[N+]([O-])c1ccc(CNc2cc(F)c(F)cc2N2CCOCC2)c(Br)c1 1117131299 WNOKFAMUCDKRJS-UHFFFAOYSA-N 428.233 4.084 5 20 IIBD CN1CC[C@@H](CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)[C@@H]1c1ccc(Cl)c(F)c1 1319584508 UBSVTYDDSBKRBM-XOBRGWDASA-N 432.883 4.106 5 20 IIBD O=C(NCc1ccc(CN2CCc3ccccc32)cc1)N1Cc2ccc([N+](=O)[O-])cc2C1 1322174734 LYVCCXBMFSTKPB-UHFFFAOYSA-N 428.492 4.383 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](Cc1nnc(COc2ccccc2[N+](=O)[O-])o1)c1ccccc1 1322399242 MONFUVVZVGHRSV-INIZCTEOSA-N 440.456 4.365 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 1323133334 UTCDEVXPMGIFLB-NSHDSACASA-N 435.527 4.084 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCO[C@H](c2ccc(Cl)s2)C1 1323721602 WSYPIWJGJJPHJX-ZDUSSCGKSA-N 445.722 4.215 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)NC2(c3ccc(NC(=O)CC(C)(C)C)cc3)CCC2)n1 1787658367 PITWOGBDBLIVDW-UHFFFAOYSA-N 440.500 4.182 5 20 IIBD O=C(NC1(c2ccc(NC(=O)C34CCC(CC3)CC4)cc2)CCC1)c1nc[nH]c1[N+](=O)[O-] 1791978879 YECAYJLRMYQROF-UHFFFAOYSA-N 437.500 4.036 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)s2)[nH]n1)c1ccc([N+](=O)[O-])o1 1814310255 USRZVGGKVTZAIJ-NSHDSACASA-N 449.876 4.246 5 20 IIBD Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1F 1823614298 WVCUSLNCFJEKDQ-LJQANCHMSA-N 443.475 4.182 5 20 IIBD CC(C)c1ccc(CC(=O)N2CC3(CCCN3C(=O)CCc3cccc([N+](=O)[O-])c3)C2)cc1 1841808397 OHHIPVKTLJFMLF-UHFFFAOYSA-N 449.551 4.097 5 20 IIBD O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 9854453 OAIDDBDGUXCQAD-UHFFFAOYSA-N 431.279 4.412 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2ccc3c(c2)OCO3)c2ccccc2)c([N+](=O)[O-])c1 10716783 QSBBSXNTKNLODH-OAQYLSRUSA-N 434.404 4.169 5 20 IIBD C[C@@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)Nc1cccc(Cl)c1 10722660 IUPWDKNELMPWFP-OAHLLOKOSA-N 434.879 4.379 5 20 IIBD CCOc1ccc([C@H](C)NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1OCC 17969896 LWBBOGRFSAIOMN-KRWDZBQOSA-N 441.528 4.486 5 20 IIBD CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])cc1 18004264 JGGNCRPMARRTGZ-UHFFFAOYSA-N 440.283 4.158 5 20 IIBD Cc1cc(C(=O)OCC(=O)N2CCC(c3nc4ccccc4s3)CC2)ccc1[N+](=O)[O-] 26871262 PSTPJAOEWXZEAK-UHFFFAOYSA-N 439.493 4.076 5 20 IIBD CCOc1cc(C(=O)NCc2ccccc2CN2CCCC[C@@H]2C)c([N+](=O)[O-])cc1OC 58952610 XWZGSIPBIVFQJD-KRWDZBQOSA-N 441.528 4.307 5 20 IIBD Cc1c(NC(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)cccc1[N+](=O)[O-] 61746312 QYQZIIARCDXBCO-UHFFFAOYSA-N 428.452 4.473 5 20 IIBD Cc1c(C(=O)NC2(c3cccc(Br)c3)CCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 72012313 PHLBFKPCIYSSFP-UHFFFAOYSA-N 434.246 4.383 5 20 IIBD COc1ccc(CSCC(=O)Nc2cc(NC(=O)C(C)C)ccc2C)cc1[N+](=O)[O-] 107551922 KBVCDACBBPJFKC-UHFFFAOYSA-N 431.514 4.378 5 20 IIBD Cc1cnc(Sc2nnc(CSc3nc4ccccc4s3)n2C)c([N+](=O)[O-])c1 301443592 NEGYXBIJESQEEF-UHFFFAOYSA-N 430.540 4.480 5 20 IIBD CC(C)(c1ccccc1)c1nnc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)s1 303288358 KKFHGPWKGNNAPE-UHFFFAOYSA-N 434.481 4.210 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccc(-c3cncnc3)cn2)cc1[N+](=O)[O-])c1ccccn1 410164712 DNMONZLUWGQUCM-HNNXBMFYSA-N 441.451 4.267 5 20 IIBD O=C(Nc1ccc(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1)c1ccncc1 426299291 UQOYGMWDXFKJDW-UHFFFAOYSA-N 445.479 4.116 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ncc(F)cc1F 428334143 BHOAALVBPKWPQA-UHFFFAOYSA-N 433.392 4.426 5 20 IIBD C[C@@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 431572290 TXWOBUAFUWLKGB-SNVBAGLBSA-N 436.251 4.046 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccnc(Oc2ccc(F)cc2F)c1 433737170 WLRSEQVVUSGXNN-UHFFFAOYSA-N 430.367 4.391 5 20 IIBD CO[C@@H](C)c1noc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)n1 435448459 WIPGQCZDHPQGBX-NSHDSACASA-N 434.499 4.469 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N(C)c2ccc(Cl)cc2F)cc1[N+](=O)[O-] 435484259 VXBJEEQZMMJPLO-UHFFFAOYSA-N 437.674 4.283 5 20 IIBD CN(CCOc1ccccc1F)C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 435940597 XTMZTCSBMXIFID-UHFFFAOYSA-N 426.394 4.250 5 20 IIBD COc1cc2c(cc1OC)CCN(C(=O)c1cccc3c(=O)c4cccc(F)c4[nH]c13)CC2 436153551 OOVHNSVFUIBVQQ-UHFFFAOYSA-N 446.478 4.079 5 20 IIBD Cc1c(C(=O)N2C[C@H](c3ccccc3)c3ccccc32)nnn1-c1cccc([N+](=O)[O-])c1 436272031 FGXKPXSRNDTUPQ-OAQYLSRUSA-N 425.448 4.276 5 20 IIBD O=C(NC[C@@H]1CCCN1C1CCCCC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 437830969 AHWBRQXFBGTDCV-HNNXBMFYSA-N 429.439 4.063 5 20 IIBD O=C(CN1CCc2ccc([N+](=O)[O-])cc2C1)Nc1cccc(CSc2ccccn2)c1 438527031 KVNGEGVEXYIPBV-UHFFFAOYSA-N 434.521 4.279 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 438655044 KRJYOTIVWFKAER-UHFFFAOYSA-N 427.354 4.128 5 20 IIBD COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 438859858 PUJDXSUCJTVVRN-GOSISDBHSA-N 447.491 4.202 5 20 IIBD Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 438921796 YKEBMEYUVJDRGZ-UHFFFAOYSA-N 436.493 4.419 5 20 IIBD Cc1c(CC(=O)Nc2cc(NC(=O)CN3CCCC[C@H]3C)ccc2F)cccc1[N+](=O)[O-] 439069533 UGFKRJJNKBIPLC-OAHLLOKOSA-N 442.491 4.036 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 442929618 FZJLSYOBOWWZTJ-UYAOXDASSA-N 434.876 4.338 5 20 IIBD COCCN(C(=O)Cc1cc(F)ccc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 443828940 YYWMBWGKPWQKMG-UHFFFAOYSA-N 433.436 4.219 5 20 IIBD Cn1c(CCCNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)nc2ccccc21 444021860 JDZNWGMSNQSOKF-UHFFFAOYSA-N 428.467 4.070 5 20 IIBD COc1cccc([C@@H]2[C@H](c3nc(-c4ccc(C)c([N+](=O)[O-])c4)no3)CC(=O)N2C2CC2)c1 445214493 YRAMLIWYRAERTJ-WIYYLYMNSA-N 434.452 4.181 5 20 IIBD Cc1cc(Br)ccc1-c1noc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)n1 445463734 JVXBFJGZLUQTIS-LLVKDONJSA-N 431.246 4.207 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(-c3cccc(CS(=O)(=O)c4ccccc4)c3)n2)s1 445481159 KJTMCFHSIZVVNC-UHFFFAOYSA-N 427.463 4.347 5 20 IIBD Cc1nc(CSc2ccc(-c3nc(-c4c([N+](=O)[O-])nc(C)n4C)no3)cc2)cs1 445611695 YUFBGEMVIAKDPS-UHFFFAOYSA-N 428.499 4.411 5 20 IIBD Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1 446031170 JNWSVCWMMLFYFQ-DYESRHJHSA-N 447.329 4.492 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCN(Cc2cccc(F)c2)CC1 447678120 JFGQZTMCTISTTL-UHFFFAOYSA-N 434.340 4.105 5 20 IIBD Cc1ccccc1-c1nnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1C[C@@H]1CCOC1 461578068 ZPIZLDFKQFCHEG-IBGZPJMESA-N 433.512 4.367 5 20 IIBD CCc1nc(C)c([C@H](C)N(C)S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)s1 462330797 ADSVYMLONTUZMV-JTQLQIEISA-N 448.364 4.066 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCOCC2)c2ccncc12 462417488 DJZQINKJWOBASZ-SFHVURJKSA-N 434.496 4.187 5 20 IIBD CCCCCC(=O)NC1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 462492230 PRBCAMJMRVQUBE-UHFFFAOYSA-N 426.517 4.234 5 20 IIBD Cc1ccc(CNC(=O)C2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)cc1F 462791305 SBSDRYDDRRLTAD-UHFFFAOYSA-N 437.418 4.177 5 20 IIBD CCO[C@H](C)c1nc(CN2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)cs1 463073103 XXYLAWFZCHTUOF-CYBMUJFWSA-N 442.488 4.072 5 20 IIBD CSc1cccc([C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)c2cc(F)ccc2F)c1 464136573 UBRKNWLMJLTMTO-HXUWFJFHSA-N 432.452 4.087 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)c1cn(C2CCOCC2)nn1 464187624 NMJCQHCYBMFTTB-UHFFFAOYSA-N 431.499 4.003 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCc3nnc(C(C)C)s3)cc2[N+](=O)[O-])n1 464746573 ZKUCGQVCLSAUGB-UHFFFAOYSA-N 435.556 4.416 5 20 IIBD Cc1ccc([C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)c2cccc(S(C)(=O)=O)c2)cc1 466290932 ULZQDQLTXUWJAI-OAQYLSRUSA-N 439.493 4.218 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(-c3nc(C)co3)ccc2C)cc1OC 470143435 KCGLWLOVMIPKMW-UHFFFAOYSA-N 441.440 4.153 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)NC1CCN(Cc2ccc(Br)cc2)CC1 474331833 RHPZDPSQLRPTQA-UHFFFAOYSA-N 433.306 4.143 5 20 IIBD COC(=O)COc1ccc(CN[C@@H](C)c2sc(-c3ccccc3)nc2C)cc1[N+](=O)[O-] 474349830 PYEMHZROBGGZHA-AWEZNQCLSA-N 441.509 4.429 5 20 IIBD C[C@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1cc2cccc(F)c2o1 475092786 SOVZICRSAQQYRR-LBPRGKRZSA-N 427.388 4.046 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCCN(C(=O)c2ccsc2)CC1 475208145 IVUDEOAYAQJYHE-UHFFFAOYSA-N 442.419 4.055 5 20 IIBD Cc1c(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)oc2c1ccc1ccccc12 478557191 ILRZRCMORMMGJW-UHFFFAOYSA-N 449.488 4.462 5 20 IIBD O=C1NC2(CCCC2)C(=O)N1CCCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 479873677 LIYNKGQDPVSSGK-UHFFFAOYSA-N 442.541 4.058 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1N1CCCCC1=O 480403797 JHUHXFUXKHOMGH-AWEZNQCLSA-N 429.498 4.240 5 20 IIBD CCCN1C(=O)CCc2cc(NC(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])ccc21 481421434 CTDBUWDFABVYIP-UHFFFAOYSA-N 430.892 4.302 5 20 IIBD CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1Cc2ccccc2C2(CC2)C1 482184381 QNUIGACLEAAGIG-FQEVSTJZSA-N 441.915 4.077 5 20 IIBD C[C@@]1(O)CCN(C(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 483040787 AOTIHGKYRUAPMX-GOSISDBHSA-N 426.416 4.362 5 20 IIBD COc1ccccc1-c1csc(C2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)CC2)n1 483053943 ZJMJHLJDMKJHBY-UHFFFAOYSA-N 438.509 4.329 5 20 IIBD Cc1ccc(-c2ccc(Cl)cc2NC(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)o1 483762795 ZBEOMTZFAPRSCJ-UHFFFAOYSA-N 427.844 4.114 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 484539453 BVHMUWISTYYNEA-LBPRGKRZSA-N 441.410 4.157 5 20 IIBD CCOc1ccc(-c2noc(CS(=O)(=O)[C@@H](C)c3cc([N+](=O)[O-])ccc3C)n2)cc1 485381502 JEDGZVVMNWPMHQ-AWEZNQCLSA-N 431.470 4.028 5 20 IIBD CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cccc(SC)c1[N+](=O)[O-] 485742091 HHLYKMVIYXIWFS-UHFFFAOYSA-N 441.431 4.436 5 20 IIBD COC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccccc2C(F)(F)F)c(C)c([N+](=O)[O-])c1 485939475 IPDDJIAMVGVRAI-LLVKDONJSA-N 426.347 4.115 5 20 IIBD COc1cc(-c2noc(CSCc3cccc([N+](=O)[O-])c3C)n2)cc(OC)c1OC 486782828 ZMCIYNYTXKVALF-UHFFFAOYSA-N 431.470 4.412 5 20 IIBD CC(C)Oc1ccc([C@@H](C)NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 488891458 OXBZRZPAWANKTM-GFCCVEGCSA-N 443.319 4.184 5 20 IIBD CCn1c(SCc2nc(CCc3ccccc3)no2)nnc1-c1ccc([N+](=O)[O-])cc1 489415163 WIPXKULSYHAAOY-UHFFFAOYSA-N 436.497 4.334 5 20 IIBD COc1cc(C(=O)N(CCN(C)C)C(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 495980477 FLZHKONZAGSWDH-UHFFFAOYSA-N 435.908 4.461 5 20 IIBD O=C(NC[C@H](c1cccs1)N1CCCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 496535329 UMZUETUNHQSGGR-QGZVFWFLSA-N 428.539 4.347 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(Br)ccc1-n1cncn1 497775998 MMTUMDJYNYLQEN-NSHDSACASA-N 448.302 4.057 5 20 IIBD O=C(Nc1ccn(-c2ccc(Br)cc2)n1)c1c[nH]c2cc([N+](=O)[O-])ccc12 498905831 DJUXVHCOGICTAS-UHFFFAOYSA-N 426.230 4.277 5 20 IIBD COc1cc(CCNC(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OC 499670771 AJXOQZGRVYCUEX-GFCCVEGCSA-N 441.311 4.456 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1c1ncc([N+](=O)[O-])cc1Cl 500871688 RJLNODHHJCINFD-IBGZPJMESA-N 427.892 4.083 5 20 IIBD O=C(CCn1cc([N+](=O)[O-])cn1)N(Cc1ccc(F)cc1)c1nc2ccccc2s1 501765630 WDMQTMJPQLAKJQ-UHFFFAOYSA-N 425.445 4.164 5 20 IIBD Cc1c(Cl)cccc1NC(=O)CCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 505296910 CHNFHUARZIWJKR-GFCCVEGCSA-N 440.283 4.122 5 20 IIBD CCN(CC)c1ccc(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cn1 507339313 IOSPIWMIUHZKPX-KRWDZBQOSA-N 448.527 4.334 5 20 IIBD Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 508583502 QRTBTHKVKJXJAO-UHFFFAOYSA-N 433.299 4.024 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 509721150 UWJGKPUDYUECTM-UHFFFAOYSA-N 447.447 4.035 5 20 IIBD Cc1ccccc1C(NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccccc1C 513646754 BFDDGFNUJVNWFC-UHFFFAOYSA-N 438.505 4.135 5 20 IIBD CC(C)C(=O)N1CCCC[C@H]1c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 515478946 YPAAAWUMQPXEAP-HNNXBMFYSA-N 437.294 4.041 5 20 IIBD O=[N+]([O-])c1ccc(NCc2ccccc2OC2CCCC2)c(S(=O)(=O)N2CCCC2)c1 515552525 ANLYONKTSIBPOY-UHFFFAOYSA-N 445.541 4.313 5 20 IIBD COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)cc1Cc1ccccc1 515693200 YKEQMTPRSUWZLB-UHFFFAOYSA-N 428.466 4.004 5 20 IIBD C[C@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1cccc(OCc2ccccn2)c1 518827711 JMSIAERPPDUOGV-KRWDZBQOSA-N 436.468 4.008 5 20 IIBD CN(C)[C@H](CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1cccc(C(F)(F)F)c1 521185149 UZNDUNRZDLQKIA-RCCFBDPRSA-N 425.455 4.186 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)Cc1ccccc1Br 521282409 RKAULJRQQYWPJJ-NSHDSACASA-N 427.682 4.437 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc3cnn(C(C)C)c3c2)ccc1[N+](=O)[O-] 522588375 JGSMCAYWDNNMQH-FQEVSTJZSA-N 435.484 4.077 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CCCC[C@H]2Cc2ccccc2)cc1[N+](=O)[O-] 523280135 HOXDDYDIBSEISZ-SFHVURJKSA-N 437.525 4.112 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCc3ccc4c(c3)CCO4)cc2[N+](=O)[O-])n1 523404688 XYINRBOXZJNAKJ-UHFFFAOYSA-N 427.507 4.376 5 20 IIBD COc1ccc([C@@H](NC(=O)CCn2cc([N+](=O)[O-])nc2C)c2ccccc2Cl)cc1 523513658 RKIPIVHTUPEZIO-OAQYLSRUSA-N 428.876 4.058 5 20 IIBD Cc1ccc(C[C@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c2ccccn2)cc1 523713011 PDXAIWLUBKZOJO-QHCPKHFHSA-N 427.464 4.198 5 20 IIBD COc1cccc(NC2CCN(C(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 525289558 IKLSWAJNJOOUHO-AWEZNQCLSA-N 433.892 4.127 5 20 IIBD O=C(CC1CCC(c2ccccc2)CC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 525380708 BFXNOHKEKVCJFL-UHFFFAOYSA-N 435.524 4.243 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC(Oc2ccc(C(C)C)cc2)CC1 530574070 MYBWVIRXUVGABN-HXUWFJFHSA-N 443.548 4.021 5 20 IIBD Cc1ccnc(-c2cccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Br)c2)n1 530787040 MQCKFVKDMNSLBV-UHFFFAOYSA-N 427.258 4.304 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCCc1csc(-c2ccccc2)n1 531243127 LVPRQGBXINRJOT-UHFFFAOYSA-N 431.901 4.500 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cnn(-c2ccccc2Br)c1 533774029 UJRSXEVVXDROJT-UHFFFAOYSA-N 430.262 4.207 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(=O)NC1CCC(F)(F)CC1 535639926 OSNLGFQAWJYJNA-UHFFFAOYSA-N 441.481 4.440 5 20 IIBD CC[C@H](C)N(CC(=O)OC(C)(C)C)C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 536453515 FMYUNQROTORSOJ-HNNXBMFYSA-N 444.532 4.039 5 20 IIBD O=C(C[C@H]1CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccccc1 537555243 YNQULRFYZUQTEQ-CQSZACIVSA-N 443.308 4.328 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 540845563 SJMOPLPTIKJXIA-INIZCTEOSA-N 431.924 4.363 5 20 IIBD CC(C)[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2cccnc2)no1 541425131 LDYCWMCCYBADJM-QGZVFWFLSA-N 447.904 4.299 5 20 IIBD Cc1ccc(NCCCNC(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 542747533 OBXVQGKVCQAKPH-DENIHFKCSA-N 444.507 4.406 5 20 IIBD O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 545252996 UZQXIFDWHVNJHB-UHFFFAOYSA-N 440.349 4.443 5 20 IIBD CCCCCn1nc(-c2nc(Cc3ccc([N+](=O)[O-])c(OC)c3)no2)c2ccccc2c1=O 545764459 SIAKEGOBKCXUKM-UHFFFAOYSA-N 449.467 4.144 5 20 IIBD Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NC(=O)c1c[nH]nc1[N+](=O)[O-] 548955264 ZAJBWCUKBIFQDP-MRVPVSSYSA-N 436.291 4.003 5 20 IIBD CC(C)(C(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1)c1ccccc1[N+](=O)[O-] 551148620 SOHQSIWWBACJBY-UHFFFAOYSA-N 430.464 4.109 5 20 IIBD CCc1ccc([C@H]2CCCN(C(=O)c3nn(-c4ccccc4[N+](=O)[O-])c(C)cc3=O)C2)cc1 552729632 BHDAIQRIEWNXKJ-FQEVSTJZSA-N 446.507 4.031 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 557640228 JTODXKDWYBGBQG-NDEPHWFRSA-N 437.543 4.420 5 20 IIBD COc1cc(C)c(CN(C)C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1OC 559543329 CAIYRRSUGJGBNS-UHFFFAOYSA-N 437.290 4.264 5 20 IIBD Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])C1 561424681 CMZKXCIINMURAD-JTQLQIEISA-N 433.228 4.494 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2c2nc(-c3cnc4ccccc4c3)no2)ccc1[N+](=O)[O-] 561874830 ZYDIVJXHJANQOI-HXUWFJFHSA-N 429.436 4.479 5 20 IIBD CS(=O)(=O)c1ccc(-c2nc([C@@H](F)c3ccc(C(F)(F)F)cc3)no2)cc1[N+](=O)[O-] 565628071 YDPPOXXNDQSYAB-AWEZNQCLSA-N 445.350 4.126 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1 572507413 PFTMQHHUGFAVLV-UHFFFAOYSA-N 444.535 4.141 5 20 IIBD CCC(CC)N(C1CC1)S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC 581286634 JSLIFCLWMQPYQR-UHFFFAOYSA-N 435.340 4.016 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 586826433 ADDFKOFWKJCSDY-AGRHKRQWSA-N 449.429 4.184 5 20 IIBD CCOc1cc(CN2CCC[C@@H](C3CC3)C2)ccc1OCCn1c([N+](=O)[O-])cnc1C 589209679 QGAJDLFIGUZDTR-HXUWFJFHSA-N 428.533 4.199 5 20 IIBD Cc1c(C(=O)N(C)[C@@H](C)c2cccc(C(F)(F)F)c2)nnn1-c1cccc([N+](=O)[O-])c1 603522247 XRKSYLVXXCKULF-LBPRGKRZSA-N 433.390 4.336 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)Cc1cc(Br)cs1 604442692 NXOYCNSSBFSONP-VIFPVBQESA-N 433.711 4.498 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1C 608875302 LRYOMBLXWBQMID-UHFFFAOYSA-N 442.375 4.081 5 20 IIBD C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 608890619 HTVJHZADLUWUPV-SNVBAGLBSA-N 449.236 4.293 5 20 IIBD COc1ccc([C@H]2CCCN2C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c(OC)c1 610104503 NOBOOUVDAXDSBK-OAQYLSRUSA-N 427.501 4.481 5 20 IIBD COc1ccc(C[C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)C2)cc1 610204087 VEGKCAINAHUATN-OAHLLOKOSA-N 433.302 4.461 5 20 IIBD COC(=O)Cc1csc(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n1 610859015 BXIRERMLAODFMF-UHFFFAOYSA-N 429.479 4.170 5 20 IIBD COc1cc(CN2CCOC[C@@H]2c2c(C)nn(-c3ccccc3)c2C)c([N+](=O)[O-])cc1F 613384175 YEZHDABPHPINKW-OAQYLSRUSA-N 440.475 4.119 5 20 IIBD O=C1Nc2ccccc2[C@]12CCN(c1c([N+](=O)[O-])cnc3ccc(Br)cc13)C2 614524710 MEVOYWSXXCXDPR-HXUWFJFHSA-N 439.269 4.006 5 20 IIBD Cc1ccc(NC(=O)Nc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)cn1 615932533 JXINPGDWTZUEFN-UHFFFAOYSA-N 441.469 4.051 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(CC[C@H](O)c2ccccc2)c1 727361213 BYXBUFBHRCFEQO-NRFANRHFSA-N 426.494 4.370 5 20 IIBD COC(=O)C1CCC(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 730107219 CPSHESWZLIUBIP-UHFFFAOYSA-N 437.290 4.439 5 20 IIBD COc1ccc(COC(=O)c2c(Cl)cccc2[N+](=O)[O-])c(Br)c1OC 730644742 FTTWWLJBJXHDHT-UHFFFAOYSA-N 430.638 4.385 5 20 IIBD COc1cc(C(=O)OCc2ncc(C(C)(C)C)o2)c([N+](=O)[O-])cc1OCc1cscn1 733465578 OZDKKJDVDSBEJX-UHFFFAOYSA-N 447.469 4.281 5 20 IIBD COc1ccc(COC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c(OC(F)F)c1 734324489 CXOPYTFKIVPSCB-UHFFFAOYSA-N 436.411 4.165 5 20 IIBD O=C(COC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 734923469 ZBYIBXAKNVJNKF-QWRGUYRKSA-N 444.312 4.177 5 20 IIBD O=[N+]([O-])c1cccc(N2CCN(C(=S)Nc3ccc(OC(F)F)c(Cl)c3)CC2)c1 735622695 QTKUNOVMNKRCGF-UHFFFAOYSA-N 442.875 4.369 5 20 IIBD COc1ccc([C@H]2[C@@H](COC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)CCC(=O)N2C)cc1 740561510 GTQJNUBRDFMJHT-VGSWGCGISA-N 440.496 4.034 5 20 IIBD CCN(CC)C(=O)c1ccc(OC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 741597860 RKDNDFUNRPWDCN-UHFFFAOYSA-N 440.374 4.237 5 20 IIBD COc1c([N+](=O)[O-])cc(NC[C@H](C)Oc2ccc(F)cc2)c([N+](=O)[O-])c1Br 742420537 BQOLBODKXWLYPV-VIFPVBQESA-N 444.213 4.293 5 20 IIBD C[C@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)Oc1cccc(Br)c1 742424564 KNUODFIWHTYAKA-GFCCVEGCSA-N 436.262 4.193 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccc(N2CCCC2)c(F)c1 743046998 DDPPJSYPZJMUHN-UHFFFAOYSA-N 434.276 4.442 5 20 IIBD COc1cc(OCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)ccc1[N+](=O)[O-] 743789723 SDFHTUKTJVOVHI-UHFFFAOYSA-N 437.408 4.124 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)c(Br)c1 746665214 PKOKYAYPGBWOPQ-OAHLLOKOSA-N 447.257 4.161 5 20 IIBD C[C@@H](c1ccccc1)N(C)C(=O)COC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 747960911 DXXMEWXWKIHLDO-AWEZNQCLSA-N 425.466 4.095 5 20 IIBD O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1 750094607 DMGUNAHXGPYELZ-APWZRJJASA-N 428.876 4.211 5 20 IIBD CCOC(=O)c1cc(C(=O)OCc2cn3cc(Cl)cc(Cl)c3n2)cc([N+](=O)[O-])c1 750112949 QPIAUSZGNUPVIY-UHFFFAOYSA-N 438.223 4.083 5 20 IIBD C[C@H](OC(=O)c1cccc(Cl)c1[N+](=O)[O-])C(=O)N(C)Cc1c(F)cccc1Cl 750541006 LHZUNKXAVBDWFM-JTQLQIEISA-N 429.231 4.245 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Br)N1CC[C@H](Oc2ccccc2Cl)C1 752377174 YEOVBHFDCDLNMF-LBPRGKRZSA-N 425.666 4.304 5 20 IIBD Cc1noc(C)c1[C@H](C)CC(=O)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 753964378 ODQPIYPHJHIUMU-BEFAXECRSA-N 443.500 4.321 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c(C)c([N+](=O)[O-])c1 754615880 SABCGSXRJRLPHT-UHFFFAOYSA-N 433.442 4.351 5 20 IIBD COCCOc1c(Cl)cccc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754967977 MCLVFAFZNODYQG-UHFFFAOYSA-N 447.644 4.427 5 20 IIBD Cc1c(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(=O)oc2ccc(Br)cc12 755201532 WYHYKMMUPDAMSF-NSHDSACASA-N 431.242 4.263 5 20 IIBD COCCN(Cc1cc(Br)cs1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] 756773714 YYIJFCIGEKRLNV-UHFFFAOYSA-N 433.711 4.361 5 20 IIBD CC[C@H]1CN(c2cc(Cl)c(C(=O)OC)cc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C 756955342 LDXJUYMCRBCUOF-SWLSCSKDSA-N 441.912 4.164 5 20 IIBD Cc1cc(F)cc(C(=O)NCc2ccc(CCNC(=O)OC(C)(C)C)cc2)c1[N+](=O)[O-] 758467487 NSURNCGERCLTTR-UHFFFAOYSA-N 431.464 4.040 5 20 IIBD O=C(NCCSCc1ccnc(Cl)c1)NCCc1ccc(Cl)cc1[N+](=O)[O-] 758664908 BGUFEAIMQCODGI-UHFFFAOYSA-N 429.329 4.072 5 20 IIBD Cc1ccc(Br)cc1CNC(=O)c1cccc([N+](=O)[O-])c1Br 759324719 YDIXTNAMXPBQNL-UHFFFAOYSA-N 428.080 4.358 5 20 IIBD O=C(c1c(C(F)(F)F)ccnc1Cl)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 759908712 WUFKWBYZMGSYEK-UHFFFAOYSA-N 429.782 4.346 5 20 IIBD CC(C)n1ncc2ccc(NS(=O)(=O)c3ccc(Br)c([N+](=O)[O-])c3)cc21 760355794 KLXCXULYDSKYBU-UHFFFAOYSA-N 439.291 4.089 5 20 IIBD O=C(NCC[C@H](O)c1ccc(Cl)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 760721169 LKFQYOVKCKXJQE-IBGZPJMESA-N 438.311 4.355 5 20 IIBD O=[N+]([O-])c1ccc(I)c(-c2nc(Cc3ccc(F)cc3F)no2)c1 761632244 FGZWCDAVUVLUEU-UHFFFAOYSA-N 443.147 4.118 5 20 IIBD O=C(N[C@H](CCO)c1cccs1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 761922389 FYMGCNAEAHJGNZ-CYBMUJFWSA-N 441.296 4.002 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]32)cc1[N+](=O)[O-])c1ccccn1 762682263 OTBWZXCBBQFYPX-YXHXOZEPSA-N 444.582 4.272 5 20 IIBD O=C(OCc1cc(-c2ccc(Cl)cc2)no1)c1cc([N+](=O)[O-])ccc1SCCO 763746960 NZHUUHXWXUCZOR-UHFFFAOYSA-N 434.857 4.345 5 20 IIBD Cc1cc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)cc([N+](=O)[O-])c1F 768266062 MPVHDUKACRZQQN-UHFFFAOYSA-N 447.419 4.235 5 20 IIBD C[C@H](Sc1nnc(Cc2cccc(F)c2)o1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 768365781 VOICJTJTWYTCIU-JTQLQIEISA-N 436.852 4.480 5 20 IIBD Cc1c(C(=O)Nc2cc(F)c(F)cc2Br)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 772180686 KMLAUIITIXCVMO-UHFFFAOYSA-N 430.161 4.413 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 772301497 MEBBLXVELUGMFF-CQSZACIVSA-N 444.288 4.215 5 20 IIBD CCCCn1ncc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1C 772343511 VDXDHSBEXBAPTJ-GFCCVEGCSA-N 442.394 4.103 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2 774020742 DSONYVFDVJAQLE-UHFFFAOYSA-N 440.500 4.461 5 20 IIBD COc1cc(Br)c(N[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1OC 774344886 OHMJYJNSPGKUOG-JSGCOSHPSA-N 425.283 4.167 5 20 IIBD O=C(O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1cccc(OC[C@H]2CCCO2)c1 776132478 FEXLHAWNBCTXQF-NFBKMPQASA-N 434.448 4.494 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cccc(CN2C(=O)CSC2=O)c1 779467132 ZEMRELXZLXLRHZ-UHFFFAOYSA-N 439.371 4.061 5 20 IIBD C[C@@H](OC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc(-c2ccc(Cl)cc2)no1 781739596 PDKYNDNJNUWLOR-LLVKDONJSA-N 446.803 4.443 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3Br)cc2)C[C@@H](C)O1 782168903 DPJAFOILFRYCSL-BETUJISGSA-N 434.290 4.223 5 20 IIBD Cc1cc(C)c(-c2nn(CN3CCC(n4ccc([N+](=O)[O-])n4)CC3)c(=S)o2)c(C)c1 782861759 MRBYBUYBQOGOJF-UHFFFAOYSA-N 428.518 4.197 5 20 IIBD O=C(NCc1ccccc1OCc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 783305228 UTDCBCANORVCBC-UHFFFAOYSA-N 439.855 4.082 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C[C@@H]21 784561088 PBDCYHROIGCYKG-RRQGHBQHSA-N 429.473 4.106 5 20 IIBD COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 786713814 LMLKGDKKPVJUHV-JTQLQIEISA-N 435.285 4.116 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@H]1C[C@@H](O)c1cccs1 787340563 HDLVMGHJXZPSCS-GOEBONIOSA-N 443.447 4.473 5 20 IIBD O=[N+]([O-])c1ccc2nc(N3CCCN(c4ccc(C(F)(F)F)c(Cl)n4)CC3)[nH]c2c1 788862944 YTSLHLJSWOXBHG-UHFFFAOYSA-N 440.813 4.255 5 20 IIBD Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 789855351 LNOHNBAYXAESJC-IBGZPJMESA-N 441.285 4.048 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)N2CCOC[C@H]2c2c(C)nn(-c3ccccc3)c2C)c1F 790925298 FEQNTTHASBJWMR-FQEVSTJZSA-N 438.459 4.059 5 20 IIBD Cc1c(Cl)cccc1N1CCCN(C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 791080450 URAQBPDJJRZSGG-UHFFFAOYSA-N 446.891 4.136 5 20 IIBD COc1cccc2cc(C(=O)N3CCc4c(Br)ccc([N+](=O)[O-])c4C3)oc12 791168342 PWRVOLAYKLALNG-UHFFFAOYSA-N 431.242 4.311 5 20 IIBD Cc1oc(-c2ccco2)nc1CC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791172037 KLPQSXGSBQVHRU-UHFFFAOYSA-N 446.257 4.041 5 20 IIBD O=C(OCc1ccc(Cl)cc1-n1cncn1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 795483541 VJTCZGIWSVDGNG-UHFFFAOYSA-N 441.856 4.309 5 20 IIBD CCc1onc(-c2ccccc2)c1C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 795933030 YSJMWLPJKANYSK-ZDUSSCGKSA-N 439.424 4.005 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@@H](C)c1c(F)cccc1F 797030317 QOJFAODOWVNHQD-SJCJKPOMSA-N 438.452 4.029 5 20 IIBD C[C@H](OC(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1)C(=O)Nc1ccccc1[N+](=O)[O-] 797510214 DHSSXNONFFVPDX-NSHDSACASA-N 449.250 4.271 5 20 IIBD O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1ccc(Oc2ccccc2)cn1 799606662 JRDVEPNRQCRGPS-UHFFFAOYSA-N 434.452 4.251 5 20 IIBD Cc1cccc(-n2cc(O)c(C(=O)O[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)n2)c1C 801418610 OQPCWRYGIVPJLM-CQSZACIVSA-N 449.423 4.071 5 20 IIBD O=C(COCc1ccccn1)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 805184449 NGUHMCWXTWEZLD-UHFFFAOYSA-N 445.834 4.408 5 20 IIBD COc1cc(OC)c(C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1OC 811215678 BHDPPONRNFSKFP-UHFFFAOYSA-N 430.438 4.101 5 20 IIBD CC(C)S(=O)(=O)c1ccccc1C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811217982 JWRQXTBFTGNWMH-UHFFFAOYSA-N 446.506 4.257 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(Cc1ccccc1)Cc1ccco1 812091628 RZFBMZFSDFSPTR-UHFFFAOYSA-N 433.468 4.300 5 20 IIBD C[C@@H](N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1ccc(N)c([N+](=O)[O-])c1 815559553 KIRWTJWOKVSJBS-ACJLOTCBSA-N 436.434 4.210 5 20 IIBD O=C(O[C@H](c1nc2ccccc2o1)C(F)(F)F)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 816064157 BEYWYZUOYNHMRD-MRXNPFEDSA-N 432.314 4.382 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(-n3cccn3)c(F)c2)c1Cl 821157028 DSRVYAMBKCTNAI-UHFFFAOYSA-N 431.232 4.027 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)CCc2cccc(Br)c2)cccc1[N+](=O)[O-] 855333010 DTGBMKQQXFKSEW-ZDUSSCGKSA-N 435.274 4.169 5 20 IIBD CC(C)(c1nc(-c2ccc(Cn3cnc4ccccc43)cc2)no1)n1cc([N+](=O)[O-])cn1 904476322 PMXXYGGXECTQOK-UHFFFAOYSA-N 429.440 4.023 5 20 IIBD O=C(Nc1cccc(CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)c1)c1ccccc1 917066856 VSAGFJRJNBCYAD-UHFFFAOYSA-N 430.464 4.351 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]1c1ccc(Br)cc1 917817704 KJVHYCCDHVTPJU-QGZVFWFLSA-N 429.274 4.071 5 20 IIBD C[C@@H](OC(=O)c1cc(-c2cccc(F)c2)no1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 919189476 DZYOWTOAYYXZHR-SNVBAGLBSA-N 433.779 4.226 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1 919515938 IFBSAFQWJDWBLP-LLVKDONJSA-N 431.832 4.231 5 20 IIBD CC(C)Oc1ncc(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1Cl 919552275 WCSXTZSZCBWSLA-JTQLQIEISA-N 442.255 4.268 5 20 IIBD Cc1sc(CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])nc1-c1ccc(Cl)cc1 919929996 CWJMJNXQNLNXME-UHFFFAOYSA-N 441.893 4.298 5 20 IIBD C[C@H](OC(=O)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F)c1cccc([N+](=O)[O-])c1 920157996 MTQYNPZLLXNYRK-SUMWQHHRSA-N 434.395 4.105 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccc(N2CCCC2=O)cc1 920947009 XNQVHQRNLARXEH-QGZVFWFLSA-N 436.512 4.203 5 20 IIBD C[C@@H](CC(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)c1cccc(C(F)(F)F)c1 1318632487 SYZXGKLRGFMHQV-INIZCTEOSA-N 435.446 4.452 5 20 IIBD Nc1c(C(=O)N[C@@H]2CC3(CCC3)Oc3ccccc32)cc(Br)cc1[N+](=O)[O-] 1335227739 ICUZPCSMUVOMHD-CQSZACIVSA-N 432.274 4.116 5 20 IIBD COc1ccc(-c2nnc(-c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)o2)cc1OC 1348859984 LEJGVNBCWJGUBC-UHFFFAOYSA-N 435.440 4.191 5 20 IIBD O=C(CC1CC1)Nc1ccc(C2(NC(=O)Cc3ccc([N+](=O)[O-])cc3F)CCC2)cc1 1787824492 OBCVLQGQBXJMNF-UHFFFAOYSA-N 425.460 4.211 5 20 IIBD CC/C=C(\C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(C)c([N+](=O)[O-])c2)[nH]n1 1823097308 NJCIJVWMJWDKSW-LRCYMOHKSA-N 439.516 4.217 5 20 IIBD CC(C)/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1832512512 GYDFYOQJGMTCOX-XTXLJPNXSA-N 431.508 4.179 5 20 IIBD C[C@H](OC(=O)CCNc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1Cl 11311643 ZARGUNCHRMXLGT-NSHDSACASA-N 426.256 4.274 5 20 IIBD C[C@H](OC(=O)c1cccc(OC(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 11462864 QQORDTJJGIVRNB-VIFPVBQESA-N 448.300 4.399 5 20 IIBD COc1ccc(NC(=O)[C@@H](OC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c2ccccc2)cc1 16751063 NFVKNSUFVOPKES-NRFANRHFSA-N 436.420 4.149 5 20 IIBD O=C(OCCCOC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1[N+](=O)[O-] 18032264 NOWNQNGTZIWOTC-UHFFFAOYSA-N 443.195 4.214 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(-c2cccc(Cl)c2)o1 21547853 AQHZTTRJCACUGQ-JTQLQIEISA-N 434.861 4.426 5 20 IIBD CCn1c(SCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Cl)cc1 24777505 IYYSJUBSRJCIQF-UHFFFAOYSA-N 431.905 4.282 5 20 IIBD CC(C)COCCCNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 24871328 VTECJALKTXLNRG-UHFFFAOYSA-N 431.455 4.009 5 20 IIBD CC[C@@H](C)NC(=O)COC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 26426599 KMMZYSOZUHTELV-GFCCVEGCSA-N 445.522 4.427 5 20 IIBD CN1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)cn2)CC1 26952796 RWIXFNASXDLNFB-UHFFFAOYSA-N 449.536 4.145 5 20 IIBD Cc1nc(-c2ccc(CCNC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)s2)cs1 33224081 NXRSETSKSJYNOS-UHFFFAOYSA-N 439.522 4.246 5 20 IIBD CSc1ccccc1NC(=O)CN(C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 64906674 XSEJCEFJPLTLBB-UHFFFAOYSA-N 442.522 4.151 5 20 IIBD CCc1ccc(-c2nc(CN3C(=O)N[C@](C)(c4ccc([N+](=O)[O-])cc4)C3=O)cs2)cc1 97336002 ZREIRRLVMMRYDR-JOCHJYFZSA-N 436.493 4.248 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NC1(c2ccc(Cl)cc2)CCCC1 97575826 IZNKXBADPVQBMM-UHFFFAOYSA-N 436.295 4.217 5 20 IIBD C[C@@H](OC(=O)/C=C\c1nc2ccccc2s1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 205660126 CSYPZSPMOWFXJM-TYBABMIJSA-N 431.857 4.442 5 20 IIBD Cc1ccc(C)c(N2N=C(C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)CCC2=O)c1 248034324 JBZMLUYGYYVKGN-UHFFFAOYSA-N 428.876 4.006 5 20 IIBD CN(Cc1ccc(Br)s1)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] 301098171 NEHPPZTXEFYRLL-UHFFFAOYSA-N 435.303 4.020 5 20 IIBD CC(C)(C)c1ccc([C@@H](O)CNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)cc1 301325037 YDJAYPIATNULFA-IBGZPJMESA-N 442.903 4.237 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1c(F)cc(Br)cc1F 322000264 GQHKQWDUCDEUEJ-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD O=C(O)[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccc(O)cc1 426813340 WKYNJXRTPOQHNV-GOSISDBHSA-N 447.241 4.238 5 20 IIBD CC(C)c1oc([C@H]2CCCN2C(=O)NCCn2cc([N+](=O)[O-])cn2)nc1-c1ccccc1 426985393 WULDZCSSULBDIF-GOSISDBHSA-N 438.488 4.116 5 20 IIBD C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)[C@H](C(N)=O)C1 428634731 BPMVUUSIGKCUSQ-PXAZEXFGSA-N 433.917 4.125 5 20 IIBD CC(C)c1[nH]nc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1[N+](=O)[O-] 433857544 KAYQOEWCOJDTQO-UHFFFAOYSA-N 448.458 4.363 5 20 IIBD CCOc1cc(CS(=O)(=O)Cc2ccc(OCC(F)(F)F)cc2)ccc1[N+](=O)[O-] 434636673 IRKYNNFJTIONSB-UHFFFAOYSA-N 433.404 4.050 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C[C@@H](NC(=O)c2ccc(O)cc2)c2ccccc2)cc1[N+](=O)[O-] 436559297 UNHOVGOTTFHPER-VGOFRKELSA-N 447.491 4.347 5 20 IIBD COC(=O)c1cccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1OC(C)C 439673496 UQQPXEJLRKUROT-UHFFFAOYSA-N 427.457 4.365 5 20 IIBD CN(C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])C1CCN(c2cccnn2)CC1 441041207 BTTXAPMGLXFWTQ-UHFFFAOYSA-N 449.536 4.277 5 20 IIBD Cc1ccc(CCN(Cc2ccco2)C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 441223057 ATDYRTISAXOCLW-UHFFFAOYSA-N 441.871 4.360 5 20 IIBD CC1(C)CCc2ccccc2[C@H](NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 441691716 RSXFYVNIXFOPJI-QGZVFWFLSA-N 429.904 4.198 5 20 IIBD Cc1ccc(NCCCNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c([N+](=O)[O-])c1 444101311 OUMCMKDAYKKDDH-UHFFFAOYSA-N 448.454 4.269 5 20 IIBD C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 444408124 GGAUGQRGNJCFLH-XOBRGWDASA-N 426.860 4.036 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 445204980 PWDIYZZDYVQUOC-UHFFFAOYSA-N 447.419 4.235 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCn2c(cc3ccc(Cl)cc32)C1 447392211 HHFGTICPTPAZRL-ZDUSSCGKSA-N 428.876 4.054 5 20 IIBD CN(Cc1cccc(Cl)c1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 463672762 AFOUHZYIEAEOLV-UHFFFAOYSA-N 426.281 4.271 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(F)(c3cccc(OC)c3)CC2)cc1OC 466554549 IQDACHFHHHKKPS-UHFFFAOYSA-N 432.448 4.112 5 20 IIBD Cc1cnc(C2CCN(C(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])CC2)s1 470111201 RDKRZACPHOGWIC-UHFFFAOYSA-N 429.420 4.321 5 20 IIBD CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 470694862 TVHUKEHDLYHEEY-GFCCVEGCSA-N 426.491 4.037 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)CCc1cnc2ccccc2c1)c1ccccc1[N+](=O)[O-] 470726543 JJPXTJIHXHTRKQ-NRFANRHFSA-N 435.480 4.275 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1-c1nc(C2CC2)no1 471444334 PORVGOYWBSHPFL-UHFFFAOYSA-N 443.257 4.466 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 471915295 ONPBYCCFFGCAPU-UHFFFAOYSA-N 425.894 4.094 5 20 IIBD C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C2CC2)O1 473338282 XOUIWOAYCHXRPF-RNODOKPDSA-N 443.887 4.140 5 20 IIBD O=C(CCCCCc1cccs1)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 478087244 PQMXFQDNRUPWIM-UHFFFAOYSA-N 441.557 4.374 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1 481846606 NTLDJJAOAYTVSU-UHFFFAOYSA-N 428.854 4.015 5 20 IIBD CCc1c(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cnn1-c1cccc(Cl)c1 482722067 ZECREHQRTXEXJL-UHFFFAOYSA-N 436.859 4.434 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 484708155 OPCWJRUWWKHTKC-FQEVSTJZSA-N 437.521 4.194 5 20 IIBD CC(C)(C)OCc1cc(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)no1 485524740 FUQLEHUQPZNUAS-UHFFFAOYSA-N 438.484 4.440 5 20 IIBD CCc1nc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)sc1C(=O)OC 486911492 SJFNKXWWVHAVDP-UHFFFAOYSA-N 443.431 4.017 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN([C@@H](C)c2nc(-c3cccs3)no2)CC1 489222786 IERYBCMOAWKIBD-HOTGVXAUSA-N 427.530 4.455 5 20 IIBD C[C@@H]1OCC[C@]1(C)N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 494228096 SWDCOMAPQPOCTA-VIZZQPHQSA-N 448.317 4.194 5 20 IIBD COC(=O)c1cccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1Br 495035692 CZRYOIDVOOYQGO-UHFFFAOYSA-N 448.273 4.340 5 20 IIBD C[C@@H]1C[C@@H](C)CN(Cc2ccc(CNc3cccc(S(C)(=O)=O)c3[N+](=O)[O-])cc2)C1 497549498 ZZXKPMFLYDYIFL-IAGOWNOFSA-N 431.558 4.088 5 20 IIBD CCSc1ccc([C@H](C)NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1 504713153 UPVXFHXSUXTCMF-AWEZNQCLSA-N 429.498 4.272 5 20 IIBD CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 505422226 UPVGRDAMWVQDGR-UHFFFAOYSA-N 449.294 4.161 5 20 IIBD COCCSc1ccc([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 507469769 RPGSSNKZAZSRJB-LBPRGKRZSA-N 430.935 4.026 5 20 IIBD O=C(CC[S@](=O)Cc1cc(Br)ccc1Cl)Nc1ccccc1[N+](=O)[O-] 507677728 LWTQADRMDHAEHN-VWLOTQADSA-N 445.722 4.288 5 20 IIBD Cc1c(Br)cc(C(=O)N(Cc2cccnc2)Cc2ccco2)cc1[N+](=O)[O-] 509850638 GJXPSRNOQPILCF-UHFFFAOYSA-N 430.258 4.496 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCCc2c(Cl)ccc(F)c21 518281330 FMLLEWSIPVXCKQ-UHFFFAOYSA-N 433.823 4.055 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)c3ccc(F)cc3)cc2)cc1[N+](=O)[O-] 518305958 UOJHJDVWNYALRG-UHFFFAOYSA-N 443.456 4.120 5 20 IIBD CCOc1cc2c(cc1OCC)CN(C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])CC2 519102592 ILSANTIDHFLHNP-AWEZNQCLSA-N 448.903 4.398 5 20 IIBD CC[C@@H](C)CN(C)C(=O)c1ccccc1NS(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 520368925 RJEFMLLVJMUDOS-CQSZACIVSA-N 433.530 4.131 5 20 IIBD COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 520614334 FDJBCJPTGXZHHI-IBGZPJMESA-N 438.411 4.185 5 20 IIBD COc1cc(C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)c([N+](=O)[O-])cc1OCc1cscn1 520708632 MKBAIXCEXRROPF-JLPXDJIOSA-N 443.525 4.193 5 20 IIBD CC(C)c1nc(-c2ccccc2NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)n[nH]1 521186934 LWQCLZVCRKMZQH-UHFFFAOYSA-N 434.500 4.358 5 20 IIBD COc1cc(OCC(=O)Nc2nc(C)c(Cc3cccc(F)c3)s2)ccc1[N+](=O)[O-] 521358658 NKJGORPXUJJUEG-UHFFFAOYSA-N 431.445 4.116 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)N(CC)CC)c(Cl)c1 521415827 OGDOJNPOSSVYFY-UHFFFAOYSA-N 439.921 4.093 5 20 IIBD C[C@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] 521488812 YSFORGQOQCPGJJ-VOJFVSQTSA-N 436.331 4.369 5 20 IIBD O=C(COCCc1ccccc1)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 522816956 HYTYJXMQDZHCQZ-UHFFFAOYSA-N 432.436 4.238 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1 524606699 YZSJKWNHSWFSNB-UHFFFAOYSA-N 430.892 4.315 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CSC[C@H]2C(=O)Nc2cccc(C)c2C)c1 524624659 DJOBFPCJMQWJMU-SFHVURJKSA-N 431.539 4.087 5 20 IIBD O=c1c2c3c(sc2nc(SCCn2cc([N+](=O)[O-])cn2)n1C1CCCC1)CCCC3 525084142 LWDNCJCZTOMUSC-UHFFFAOYSA-N 445.570 4.349 5 20 IIBD COCCC(=O)N1CCC(NCc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 532270581 PCGDALUIZBRKKD-UHFFFAOYSA-N 443.569 4.172 5 20 IIBD NC(=O)C1CCN(CCc2ccc(NCc3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)CC1 533210083 TVUZXJKSKBMZSS-UHFFFAOYSA-N 448.523 4.207 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N(CCCO)Cc1ccc(Cl)c(Cl)c1 535381989 IYIPLHWTTFQHGG-UHFFFAOYSA-N 436.295 4.337 5 20 IIBD COc1cc(CNc2ccc(NC(=O)CCN3CCCCC3)cc2)c([N+](=O)[O-])cc1OC 536102480 HNWDHSCHAOSLLE-UHFFFAOYSA-N 442.516 4.039 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O 537470366 BGJKSKAUJINSHJ-KRWDZBQOSA-N 449.479 4.301 5 20 IIBD CC(=O)c1cccc(OCc2cc(C(=O)Nc3ccc4cc([N+](=O)[O-])ccc4n3)no2)c1 537757013 LNFGTPMFUWARJV-UHFFFAOYSA-N 432.392 4.165 5 20 IIBD O=[N+]([O-])c1ccccc1C[C@@H](NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)C1CC1 537965167 XXJBLDOWAOTBBJ-OAHLLOKOSA-N 439.825 4.421 5 20 IIBD COc1cccc([C@@H](C)N[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 538128678 FGLKMVJFBPHLTC-ZIAGYGMSSA-N 426.498 4.405 5 20 IIBD COc1ccc(-n2nc(C(=O)N(C)c3nc(-c4ccccc4[N+](=O)[O-])cs3)cc2C)cc1 538253058 HIEZDSFQVWBBLH-UHFFFAOYSA-N 449.492 4.498 5 20 IIBD CCOc1cc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])cc1OC 539151388 FJSWNJIQDOBEBA-BEFAXECRSA-N 438.839 4.055 5 20 IIBD CSc1c(F)cc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1F 541278462 PKAZITQQKDNPCJ-QGZVFWFLSA-N 435.452 4.147 5 20 IIBD C[C@H](C(=O)N[C@@H](C)[C@H](OC1CCOCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1F 541599400 LBBYGUZJAREKCI-WCJKSRRJSA-N 430.476 4.279 5 20 IIBD COc1ccc(NC(=O)N(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)cc1[N+](=O)[O-] 542961629 KSAGFLGUTLCBKU-UHFFFAOYSA-N 427.436 4.229 5 20 IIBD CCC[C@@H](NC(=O)c1ccccc1)c1noc(-c2ccn(-c3ccccc3[N+](=O)[O-])n2)n1 545780059 DRKUTCYFNMRHAV-MRXNPFEDSA-N 432.440 4.102 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(-c3nc(-c4cccc(C(=O)N(C)C)c4)no3)cc2[N+](=O)[O-])C1 546281708 KZAGOBWENQNAOZ-HZPDHXFCSA-N 449.511 4.496 5 20 IIBD C[C@H](Nc1ccc(-c2nc(Cc3cn4ccccc4n3)no2)cc1[N+](=O)[O-])c1ccccn1 546940369 HLGFNUSGOJGTBI-HNNXBMFYSA-N 441.451 4.451 5 20 IIBD COc1ccc(C(C)=O)cc1Cc1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 547155770 CJPDYKCZFIJNKI-UHFFFAOYSA-N 446.257 4.133 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCCCCc1ccc(Cl)s1 551336039 DWZSHQRNGTXEBK-UHFFFAOYSA-N 437.905 4.137 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 557093338 XTDDXMMPWVOCGF-RBUKOAKNSA-N 449.429 4.186 5 20 IIBD COC1(C)CCN(c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])CC1 557432977 LVMFOQZWUXDLLJ-UHFFFAOYSA-N 433.530 4.018 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(-n3nc(C)cc3C)cc2C(F)(F)F)n1 557536674 GZEUTXAGXLWNBD-UHFFFAOYSA-N 449.389 4.210 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 558512219 SEURIXKWKPPRGK-UHFFFAOYSA-N 437.353 4.303 5 20 IIBD O=[N+]([O-])c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Br)c2cccnc12 558599821 STQDSAVYABYMMA-UHFFFAOYSA-N 442.678 4.360 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCN(c2ccccc2Cl)C1=O 559710287 SRWZOENIJUCLRD-INIZCTEOSA-N 441.793 4.145 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCC[C@@](O)(C(F)(F)F)CC3)c([N+](=O)[O-])c2)cc1 561379941 FATMCEYYTPPRQR-FQEVSTJZSA-N 437.418 4.439 5 20 IIBD COc1cc(CN(CCn2ccnc2)Cc2cccc(Cl)c2)c([N+](=O)[O-])cc1OC 561396332 ZQABUHBHIJRGBN-UHFFFAOYSA-N 430.892 4.164 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl 562121520 DNCLRPLUCQDHGN-SECBINFHSA-N 428.247 4.419 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(Cc1ccccc1)[C@@H](CO)C1CC1 563515063 COAYYSNUTXWERP-IBGZPJMESA-N 433.302 4.079 5 20 IIBD Cc1ccc(OC2CCN(c3cnn(-c4ccc([N+](=O)[O-])cc4)c(=O)c3Cl)CC2)cc1 572928355 VWPXOWSZCBIKOY-UHFFFAOYSA-N 440.887 4.150 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCn2c(nnc2C2CCCC2)C1 577806292 CTACZYKHMNULIL-UHFFFAOYSA-N 443.305 4.175 5 20 IIBD COc1cc(OC)cc(C2(F)CCN(C(=O)CCOc3cc(C)ccc3[N+](=O)[O-])CC2)c1 583218749 ILRXFLMXTKTWHT-UHFFFAOYSA-N 446.475 4.177 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1-c1nc([C@H]2CCC(F)(F)C2)no1 583467227 RERPNTGWICBEBO-QMMMGPOBSA-N 435.168 4.461 5 20 IIBD COc1ccc(COc2ccc(-c3noc(-c4ccc([N+](=O)[O-])cc4OC)n3)cn2)cc1 589114700 YNXQXZGQBFSXPL-UHFFFAOYSA-N 434.408 4.303 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccc(NC(=O)C2CC2)cc1C(F)(F)F 603438468 ZNKYFRRKWYHJMC-UHFFFAOYSA-N 436.390 4.321 5 20 IIBD Cc1ccc(N(CCC(=O)Nc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 603478786 VAOLLXDSITWORI-UHFFFAOYSA-N 439.493 4.127 5 20 IIBD C[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(OCc2cccnc2)cc1 603854787 UVLXFVOKWIFDJY-HNNXBMFYSA-N 427.482 4.145 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Cl)c3ncccc23)ccc1[N+](=O)[O-] 608803732 SDLWZEYAVSYLHU-LJQANCHMSA-N 438.871 4.348 5 20 IIBD COc1cccc(CC(=O)N2CCc3ccc(NC(=O)c4csc([N+](=O)[O-])c4)cc32)c1 608945179 YODSZBOUZFIKCF-UHFFFAOYSA-N 437.477 4.049 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(O[C@H]4CCOC4)cc3)cc2[N+](=O)[O-])C1 610051825 NSCIKBJNVQKQHT-LZJOCLMNSA-N 439.512 4.497 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1ccccc1SCC(F)(F)F 618343531 JEQWQANYZROVCZ-UHFFFAOYSA-N 425.392 4.447 5 20 IIBD Cc1cc(C(C)(C)C)cc(C)c1COc1c([N+](=O)[O-])cc(S(C)(=O)=O)cc1[N+](=O)[O-] 728443272 MDEHWPPSCGAJJX-UHFFFAOYSA-N 436.486 4.400 5 20 IIBD O=C(Nc1cc(F)c(F)cc1F)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 729575269 GRSIQLLEBQRQBM-UHFFFAOYSA-N 448.323 4.385 5 20 IIBD Cc1ccc(-n2nc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])c3c2CCC3)c(C)c1 730375421 JLXFFJUPLJRUNW-INIZCTEOSA-N 448.479 4.070 5 20 IIBD C[C@H](OC(=O)c1ccc2[nH]ccc2c1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 730854827 VFHQHBODDASIPA-LBPRGKRZSA-N 436.449 4.384 5 20 IIBD Cc1c(C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 731299090 OQBHYIPWTZLRPF-KRWDZBQOSA-N 437.412 4.229 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 731617719 XVCKXVLUMYWCGJ-UHFFFAOYSA-N 448.859 4.408 5 20 IIBD COc1c([N+](=O)[O-])cc(NCCCCCN2CCCCC2)c([N+](=O)[O-])c1Br 732050473 VLNCNFLIKQCIMM-UHFFFAOYSA-N 445.314 4.342 5 20 IIBD C[C@@H](CC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1cccc(F)c1 734903402 BBUAEGLUEBWLLP-NSHDSACASA-N 428.338 4.428 5 20 IIBD O=C(CNc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCc2ccc([N+](=O)[O-])cc21 735308415 WMMYINCJJFAAQC-UHFFFAOYSA-N 434.408 4.297 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@](C)(CNC(=O)OC(C)(C)C)CC(C)C)c1 736486541 VYQFWJUBSCYHDP-FQEVSTJZSA-N 425.551 4.376 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cc2)CCO1 736496824 WSDHRKLYKJNTNV-SFHVURJKSA-N 427.504 4.019 5 20 IIBD C[C@@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 737803974 GBFACAODWHIEHY-VGOFRKELSA-N 433.464 4.440 5 20 IIBD O=C(Cc1c[nH]c2ccc(Cl)cc12)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 740543855 VVDPWSNHXUMJRS-UHFFFAOYSA-N 428.876 4.127 5 20 IIBD CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 741233133 JZKXYTFXBWJCAR-LZQZEXGQSA-N 443.887 4.044 5 20 IIBD COc1ccc(Cl)cc1C[C@H]1CCCN(c2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])C1 741246505 ZGMYWFXLIBAXHR-CQSZACIVSA-N 449.891 4.425 5 20 IIBD C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 745566984 AYQJUTUCDWSCME-JTQLQIEISA-N 446.328 4.268 5 20 IIBD O=C(COC(=O)c1cc(OCc2ccccc2)ccn1)Nc1cc(Cl)ccc1[N+](=O)[O-] 745648552 XIPGCHZXDKJJQW-UHFFFAOYSA-N 441.827 4.018 5 20 IIBD COc1ccc(CSCC(=O)O[C@H](C)c2nc(-c3ccccc3C)no2)cc1[N+](=O)[O-] 746065791 WKGPCXLLVKPKTN-CQSZACIVSA-N 443.481 4.499 5 20 IIBD O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 746073684 XXSRCKHVDPZFRO-INIZCTEOSA-N 441.292 4.160 5 20 IIBD Cc1nc2sccn2c1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 747177852 FDUCURKZAFYPHA-UHFFFAOYSA-N 427.530 4.121 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1 748071307 KQURFFJEKYPWNJ-GJZGRUSLSA-N 447.532 4.053 5 20 IIBD Cc1c(C(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 748197753 BFIPBNCPNAFLOX-UHFFFAOYSA-N 446.419 4.267 5 20 IIBD CC(C)n1c([C@@H]2CCCN2C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)nc2ccccc21 748377509 XQOUBJVWHKTTFW-FQEVSTJZSA-N 432.484 4.239 5 20 IIBD CC(C)c1ccc(-c2ncc(CS(=O)(=O)C[C@H](O)c3cccc([N+](=O)[O-])c3)s2)cc1 749720698 NHKZVLCSIWJWTD-FQEVSTJZSA-N 446.550 4.490 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CCC[C@@H](N2CCCC2)CC1 750887471 UKUOPJKDXFPIQE-CYBMUJFWSA-N 430.730 4.101 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Sc2nncs2)cc1 751269020 AKPYYSBUEUSFMS-UHFFFAOYSA-N 428.904 4.052 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cnn(C(C)(C)C)c1-c1ccccc1 753647137 SLXMOLZXEUOFFR-UHFFFAOYSA-N 436.468 4.317 5 20 IIBD CCOc1cc(CCCNC(=O)c2cccc([N+](=O)[O-])c2Br)ccc1OC 753824378 JJHJWSINNQWUGD-UHFFFAOYSA-N 437.290 4.127 5 20 IIBD C[C@@H](C(=O)Nc1ccc(N2CCC(N(C)C)CC2)c(F)c1)c1ccc([N+](=O)[O-])cc1F 754236232 HDKPUAGMQATEGD-CQSZACIVSA-N 432.471 4.146 5 20 IIBD C[C@@H](OC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(F)c(C(F)(F)F)c1 754365495 FNIYZMCWRBOVFD-SECBINFHSA-N 446.378 4.248 5 20 IIBD CC[C@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[C@H](O)c1c(F)cccc1F 755035475 LCYNHEOORPHNBR-BBRMVZONSA-N 444.232 4.269 5 20 IIBD Cc1noc(C)c1CCOC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 756191967 ROPBGCXBNHVGOT-UHFFFAOYSA-N 425.228 4.092 5 20 IIBD CCC(=O)c1cc(C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])ccc1F 756889851 PVVDIJKMCIMCCY-GOSISDBHSA-N 430.432 4.139 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N(Cc1ccccc1)C[C@H](O)c1ccsc1 757090482 KTPKBWAWAIVVCL-QFIPXVFZSA-N 448.504 4.218 5 20 IIBD C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 757638979 LBGSXPQVQAAKGC-AWEZNQCLSA-N 431.514 4.389 5 20 IIBD O=C(Nc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2Br)c1)c1ccoc1 758183267 WKOHWOJVVLUCLC-UHFFFAOYSA-N 430.214 4.455 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cn2c(=S)oc3ccc([N+](=O)[O-])cc32)C1 758401806 HRBKEITYQIWSOD-KBPBESRZSA-N 436.534 4.455 5 20 IIBD Cc1nc(CC(C)C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)s1 760363101 ADRAVEXBRKAUDA-UHFFFAOYSA-N 434.337 4.122 5 20 IIBD CCN(Cc1noc(-c2ccc([N+](=O)[O-])cc2Br)n1)C(=O)OC(C)(C)C 761946455 QHQFTYDPCIROHQ-UHFFFAOYSA-N 427.255 4.164 5 20 IIBD O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1c(Cl)cc(F)cc1Cl 763544755 PRKMXNSBGCYSKM-UHFFFAOYSA-N 429.187 4.196 5 20 IIBD O=C(O[C@@H]1CCCN(c2ccccc2F)C1=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 763678945 TZMOYNYYOBUOAG-GOSISDBHSA-N 441.440 4.210 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1SCCO)C(=O)Nc1ccc2ccccc2c1 763742643 BRBJOXFUNHNVLM-CQSZACIVSA-N 440.477 4.016 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 766241074 IDGHOACDADOKHJ-UHFFFAOYSA-N 444.360 4.261 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 768538889 MDVAXOAAGXGECE-CQSZACIVSA-N 428.514 4.271 5 20 IIBD O=C(Cc1noc(COc2ccc([N+](=O)[O-])cc2)n1)Nc1ccc(SC(F)F)cc1 770958716 NBBDQVMGPDTUIJ-UHFFFAOYSA-N 436.396 4.053 5 20 IIBD COc1ccc(-n2nc(C(=O)O[C@H](c3cccnc3)c3ccccc3[N+](=O)[O-])cc2C)cc1 776139316 PHZHXIZWIXXJBO-HSZRJFAPSA-N 444.447 4.439 5 20 IIBD C[C@H](OC(=O)c1coc(-c2ccccc2Cl)n1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 776441463 ZAVSEOXVYSNIBZ-JTQLQIEISA-N 433.779 4.226 5 20 IIBD CCOC(=O)N1CCc2c(sc3nc(-c4ccc(Cl)c([N+](=O)[O-])c4)nc(O)c23)C1 781558131 MSNWDJVZGGVNNM-UHFFFAOYSA-N 434.861 4.140 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(c2ncnc3ccc([N+](=O)[O-])cc23)CC1 782135736 LPRVCHDJMFBHQU-LJQANCHMSA-N 427.505 4.154 5 20 IIBD O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)c1cccc([N+](=O)[O-])c1Br 782172914 WCMUGUSGKQELHB-GFCCVEGCSA-N 434.073 4.128 5 20 IIBD COc1ccc(NC(=O)N2CCC(=C3C(=O)Nc4cc(Cl)ccc43)CC2)cc1[N+](=O)[O-] 782628676 YHKNFINHUKOJLZ-UHFFFAOYSA-N 442.859 4.290 5 20 IIBD CC(C)[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1F 783344521 GTABMEUJYUYIIX-INIZCTEOSA-N 428.247 4.493 5 20 IIBD CC(C)(C)OC(=O)N1CCc2ccc(Nc3ccc([N+](=O)[O-])cc3S(C)(=O)=O)cc2C1 786782902 XMASGDXAYHZADG-UHFFFAOYSA-N 447.513 4.035 5 20 IIBD CC(C)([C@H](OC(=O)[C@@H]1CCC(=O)c2cccn21)c1ccc(Br)cc1)[N+](=O)[O-] 789471374 HXEZOGGYUDHKLM-DOTOQJQBSA-N 435.274 4.108 5 20 IIBD CC(=O)c1ccc2cc(OS(=O)(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)ccc2c1 790857943 VNAUFGSYOVYJIL-UHFFFAOYSA-N 444.421 4.243 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N2CCC(OCc3ccccc3)CC2)cc1[N+](=O)[O-] 792956100 NCHFZLWTBVQGNL-UHFFFAOYSA-N 439.512 4.039 5 20 IIBD Cc1cc(Oc2ncccn2)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F 795302922 QAUUTMDEFHQCDQ-UHFFFAOYSA-N 438.824 4.079 5 20 IIBD COc1ccc(-c2nc(Cc3noc(-c4cc([N+](=O)[O-])ccc4N4CCCC4)n3)co2)cc1 795705667 BRROHELCCOABAP-UHFFFAOYSA-N 447.451 4.499 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3ccc4nc(C)n(C)c4c3)CC2)ccc1[N+](=O)[O-] 796728945 ZXEALFVIXBEZMM-UHFFFAOYSA-N 438.484 4.014 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1nc(-c2ccccn2)cs1 800342273 MNZRUWPKXKGEAN-UHFFFAOYSA-N 431.495 4.209 5 20 IIBD C[C@@H](Sc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 800839211 ZRTSPFGOQUYJIA-CQSZACIVSA-N 425.466 4.237 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(c2cc3ccccc3[nH]2)CC1 802403958 QUUONJWBJDWRFO-UHFFFAOYSA-N 446.511 4.365 5 20 IIBD Cn1cnc2c(C(=O)Nc3cc(Cl)c([N+](=O)[O-])cc3OCc3ccccc3)ccnc21 808013849 RXJLFOAUOYULKY-UHFFFAOYSA-N 437.843 4.361 5 20 IIBD Cc1c(C(=O)Nc2ccc3nccnc3c2Br)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 808936772 FGJIVQRGRHHJSO-UHFFFAOYSA-N 446.217 4.078 5 20 IIBD C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(C(=O)OC(C)(C)C)c2ccccc21 810051960 JCHDXJYBCKXUBR-HNNXBMFYSA-N 426.473 4.184 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)C(C)(C)c1csc(-c2cc(F)ccc2F)n1 810540894 GSIFJTUGHSKXNY-UHFFFAOYSA-N 436.440 4.022 5 20 IIBD CC(C)(C)OC(=O)NCC1(C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 811219350 OHHCRLTWTDITQB-UHFFFAOYSA-N 433.486 4.066 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@@H]21 814176669 SFXBWUBZSKGLEW-CJNGLKHVSA-N 427.448 4.028 5 20 IIBD CN(Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c1)C(=O)C(F)(F)F 814996258 NNAISFRNEJYZQB-UHFFFAOYSA-N 449.307 4.387 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)cc1[N+](=O)[O-] 877869138 AEMDHMYIYUCHTO-AWEZNQCLSA-N 442.453 4.247 5 20 IIBD CCCCOC(=O)c1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 912584440 CSEVJABWDINUQH-UHFFFAOYSA-N 425.485 4.407 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NCc1ccc(Cl)nc1 917724943 KNOKCMGALMFRPW-UHFFFAOYSA-N 447.882 4.355 5 20 IIBD O=C(Nc1cc(NS(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])ccc1F)C1CCCCC1 917742507 QFEDHIAILQRXDQ-UHFFFAOYSA-N 439.440 4.193 5 20 IIBD CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cc1Cl 917782379 CTROHFXUEZTQAT-GFCCVEGCSA-N 435.839 4.168 5 20 IIBD O=C(COc1ccc(-c2ccccc2)cc1)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 918840584 GEBHOQCPGDIMOI-UHFFFAOYSA-N 431.404 4.434 5 20 IIBD Cc1cc(NC(=O)[C@H](C)SCC(=O)Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])no1 920330393 BTXDHONPTXCSRD-AWEZNQCLSA-N 441.465 4.224 5 20 IIBD Cc1ccc2nc(COC(=O)c3ccc(N[C@H](C)c4ccccn4)c([N+](=O)[O-])c3)cn2c1 920544388 MAGQYOITYOQFGK-MRXNPFEDSA-N 431.452 4.476 5 20 IIBD COCCN(C(=O)c1cc([N+](=O)[O-])ccc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 921278225 ZKPKHQYKUGVBFH-UHFFFAOYSA-N 442.453 4.228 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(Br)s1 1116110092 DSKWLAXQZHIKQU-UHFFFAOYSA-N 449.076 4.221 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1nc(C2CC2)n(-c2ccccc2)n1 1116449839 URORQXPQMHHKLE-UHFFFAOYSA-N 428.246 4.068 5 20 IIBD CC(C)(C)n1c(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)nc2ccccc21 1318035351 VINHDNILNHDGOE-UHFFFAOYSA-N 437.456 4.026 5 20 IIBD O=C1Nc2ccccc2[C@@H]1C1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 1318226989 LGUXQTVEZLGACW-SFHVURJKSA-N 446.410 4.176 5 20 IIBD CN1C(=O)CC[C@H](C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)[C@H]1c1ccc(C(F)(F)F)cc1 1318739162 FFLOLTVYUUCILD-AZUAARDMSA-N 447.413 4.066 5 20 IIBD CCOc1ccc(-c2noc(CCc3nc(-c4cc(C)c([N+](=O)[O-])cc4C)no3)n2)cc1 1320211591 FCINLWXBMCUWLH-UHFFFAOYSA-N 435.440 4.496 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](c1ccccc1)c1nnc(COc2ccccc2[N+](=O)[O-])o1 1322151412 OIDICYLMNCQZLT-SFHVURJKSA-N 426.429 4.171 5 20 IIBD CC(C)(NC(=O)c1nn(-c2ccccc2F)cc1Br)c1ccc([N+](=O)[O-])cc1 1326897051 CQEKASIQLZWMMO-UHFFFAOYSA-N 447.264 4.347 5 20 IIBD CCOc1cc(Br)c(NC(=O)c2cc([N+](=O)[O-])ccc2NC)cc1OCC 1348524738 PPJQCJWVJLVZDD-UHFFFAOYSA-N 438.278 4.449 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(-c3cc(I)c(F)cc3F)o2)c1 1349934140 KGSDBKGZLNJDPQ-UHFFFAOYSA-N 429.120 4.195 5 20 IIBD CCCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4nc[nH]c4[N+](=O)[O-])cc3)CCC2)cc1 1788612099 FDZDTUODDFVTJA-UHFFFAOYSA-N 447.495 4.332 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC1CCCC1 1795419539 CCNXCHFGMHPIJZ-BCDXTJNWSA-N 431.508 4.265 5 20 IIBD Cc1ccc(/C=C/C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(F)cc([N+](=O)[O-])c2)s1 1800525891 URUZXJHOQYXXBQ-RGTDPURMSA-N 443.500 4.069 5 20 IIBD CC(C)(C)C(=O)N1CCCC2(CCN(C(=O)C3(c4cccc([N+](=O)[O-])c4)CCC3)CC2)C1 1809136747 SYNFMWCWLIBPSZ-UHFFFAOYSA-N 441.572 4.294 5 20 IIBD CC(C)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2cc(F)ccc2[N+](=O)[O-])n[nH]1 1823488272 SWPUMIHQKHPZOE-LJQANCHMSA-N 445.495 4.128 5 20 IIBD CC(C)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1823681697 SWAMLSYSXOEGBO-QFIPXVFZSA-N 429.561 4.193 5 20 IIBD O=C(c1ccccc1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830620452 BDCFMRGKVKKWGC-NRFANRHFSA-N 439.487 4.281 5 20 IIBD Cc1cscc1C(=O)N1CCCC12CN(C(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 1843505110 BICJHZRDFDTLFC-UHFFFAOYSA-N 441.534 4.310 5 20 IIBD O=C(c1ccc(F)s1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 1848276152 HDSRTDOQOZAGRJ-KBPBESRZSA-N 445.497 4.139 5 20 IIBD CCCn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1ccncc1 9813587 KIHDJRDXRHMLAD-UHFFFAOYSA-N 432.893 4.043 5 20 IIBD C[C@H](OC(=O)c1cccc(Br)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 10628209 JSSAHDAFJUQNFB-VIFPVBQESA-N 427.638 4.195 5 20 IIBD Cc1cc(C)c(NC(=O)COC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(Cl)c1 10733669 VCXASXSJRUDXKZ-UHFFFAOYSA-N 431.876 4.261 5 20 IIBD CCCOc1cc(NC(=O)Cc2ccc3c(c2)OCCO3)c([N+](=O)[O-])cc1OCCC 10746627 NYAZZXUYVWKJHG-UHFFFAOYSA-N 430.457 4.125 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccccc2)c([N+](=O)[O-])c1 11024720 RCROAPNHPTZYBR-UHFFFAOYSA-N 448.431 4.020 5 20 IIBD O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 14265451 AKDMHXZWNKDIIH-UHFFFAOYSA-N 437.843 4.282 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1nc(Cl)ccc1Cl)c1ccccc1[N+](=O)[O-] 14376986 RFFZZMBOWQOTSF-CYBMUJFWSA-N 426.256 4.109 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)n1CC(F)(F)F 16405869 HWHOZGLEXSZKGG-UHFFFAOYSA-N 433.770 4.024 5 20 IIBD Cc1nn(Cc2ccc(C(=O)OCc3ncc(-c4ccccc4)o3)cc2)c(C)c1[N+](=O)[O-] 17159217 VUCZGFXUBYTMJK-UHFFFAOYSA-N 432.436 4.468 5 20 IIBD Cc1ccccc1-n1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1cccnc1 20753552 JYSPXHRVMIVERU-UHFFFAOYSA-N 446.492 4.277 5 20 IIBD O=C(NCCOc1ccc(C(F)(F)F)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 71933719 PSANFBGRRJWMOW-UHFFFAOYSA-N 437.418 4.025 5 20 IIBD CC(C)Oc1ccc(CC[C@H](C)Nc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 71968760 YPWGJZGSNQOLQP-SFHVURJKSA-N 441.528 4.288 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)cc([N+](=O)[O-])c1 109667693 KJZXWMIRLQBUSB-UHFFFAOYSA-N 440.456 4.042 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1 110472862 JVISWZKXYUAGBD-UHFFFAOYSA-N 443.428 4.216 5 20 IIBD O=C(N[C@@H](c1ccccc1)c1cc2ccccc2o1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 115345310 RSMWMOVURGQWQS-QHCPKHFHSA-N 439.431 4.441 5 20 IIBD Cc1c(NC(=O)CCN(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)cccc1[N+](=O)[O-] 255958876 FMCYHEQUYZAMLO-UYAOXDASSA-N 438.311 4.129 5 20 IIBD CCCc1[nH]nc(C(=O)N[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)c1[N+](=O)[O-] 303358201 INWPAQAEORNWFH-CQSZACIVSA-N 429.477 4.340 5 20 IIBD Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 303392929 NNHLXCHKINPVJB-UHFFFAOYSA-N 445.483 4.219 5 20 IIBD Cc1cc(OCc2ccccc2)ccc1NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 303696864 QUWYSULMPOZLEQ-QGZVFWFLSA-N 433.464 4.239 5 20 IIBD Cc1noc(C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c2ccccc2)n1 429609557 IPMDOHNWGNNKOW-OAHLLOKOSA-N 435.362 4.411 5 20 IIBD C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1nc(-c2cccc(F)c2)no1 430614415 ZAPPJOPSNXDXOS-SECBINFHSA-N 435.209 4.037 5 20 IIBD COc1cc(CN2CC[C@@H](Oc3ccncc3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 435045943 MYMLOZSZZBORFP-OAQYLSRUSA-N 435.480 4.231 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 435355440 ULEUAQAHPPQLOC-ZDUSSCGKSA-N 438.431 4.431 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 435447601 QFHKRMNVCJLOAS-SNVBAGLBSA-N 445.444 4.157 5 20 IIBD O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 436486065 ICKZKISHSSLBDP-UHFFFAOYSA-N 428.338 4.300 5 20 IIBD CCOC(=O)Cn1ccc2cc(NC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)ccc21 437782960 ZVWDEZVRRVAFBS-UHFFFAOYSA-N 436.468 4.309 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N(CCc1ccccn1)Cc1ccncc1 438112213 YYOMKFQPJACMKL-UHFFFAOYSA-N 441.285 4.032 5 20 IIBD C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 440498772 UTIZHUTWDVORKS-MSOLQXFVSA-N 447.495 4.296 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCO[C@]3(C[C@H]4CC[C@H]3C4)C2)cc1 440920759 UWHSCIYPDNVILI-WOGXIUBCSA-N 438.480 4.427 5 20 IIBD COc1cc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(C)C)c([N+](=O)[O-])cc1OC(F)F 444022878 OLEYQAIFSLKONM-HNNXBMFYSA-N 426.391 4.341 5 20 IIBD O=C(NC[C@@H](CO)Cc1c(F)cccc1Cl)c1ccc2[nH]c3ccccc3c(=O)c2c1 444233696 UJSNJRPUVCLQIG-AWEZNQCLSA-N 438.886 4.055 5 20 IIBD O=C(CCOc1ccc(Cl)cc1Br)N1CCc2ccc([N+](=O)[O-])cc2C1 446425916 WCNJVYNLFCEEAR-UHFFFAOYSA-N 439.693 4.365 5 20 IIBD CC(=O)N(c1nc(CN2CCc3ccc([N+](=O)[O-])cc3C2)cs1)c1ccccc1F 446733662 GQYWREAJDNZRNY-UHFFFAOYSA-N 426.473 4.433 5 20 IIBD CS(=O)(=O)c1ccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1C(F)(F)F 447562679 YWMNDDWKHSOAHV-QGZVFWFLSA-N 428.432 4.184 5 20 IIBD O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 448451471 YIFKIRUXIJYQGW-REWPJTCUSA-N 434.540 4.296 5 20 IIBD CC(C)c1c(C(=O)NCCc2ccccc2[N+](=O)[O-])cnn1-c1ccc(C(F)(F)F)cn1 460503636 VGLXTJWQLKBVFT-UHFFFAOYSA-N 447.417 4.290 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCN([C@@H](C)c3ccsc3)CC2)cc1[N+](=O)[O-] 463033225 JJCLQTLMOCQNFR-ZDUSSCGKSA-N 438.347 4.246 5 20 IIBD O=C(Nc1n[nH]c(-c2cc(Cl)ccc2Cl)n1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 463169773 JLDUNYDNYVXKSY-UHFFFAOYSA-N 445.222 4.193 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 463338382 HVCVDQXFGHTEIP-SAZUREKKSA-N 434.290 4.111 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC[C@H](C)c1cccc(C(F)(F)F)c1 464035274 ZHBNLQKZOMTSPL-LBPRGKRZSA-N 437.418 4.479 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F 464723027 KZAPSMGTKMNEAO-KRWDZBQOSA-N 433.411 4.002 5 20 IIBD CNC(=O)[C@@H]1CCC[C@H]1NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 466537976 DNISDSJOOPKENB-GDBMZVCRSA-N 433.917 4.044 5 20 IIBD CCN(CC)CCOC1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 467013469 KBLRTJWKFHZBIO-UHFFFAOYSA-N 425.529 4.153 5 20 IIBD CCO[C@H](CCNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)C1CCCC1 473453495 XUTIALLIJMJVEU-OAQYLSRUSA-N 428.533 4.172 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 475639523 NJKHOPZFILIKOX-UHFFFAOYSA-N 444.538 4.478 5 20 IIBD COc1c(C(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)cccc1[N+](=O)[O-] 475783627 VTMOLOYYYVPABG-UHFFFAOYSA-N 427.360 4.407 5 20 IIBD O=C(c1cc(Br)ccc1Br)N1CCc2c1cccc2[N+](=O)[O-] 476753348 BBWXRVKXNHMZTE-UHFFFAOYSA-N 426.064 4.323 5 20 IIBD CCn1c(SCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])nnc1-c1ccccn1 481339861 NMMNSPWYWVJNRI-UHFFFAOYSA-N 437.428 4.171 5 20 IIBD O=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 484592190 NNYGTCTUXOFYHW-UHFFFAOYSA-N 427.392 4.435 5 20 IIBD C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1 485976950 LQYTXVNKUWAWTG-HNNXBMFYSA-N 436.472 4.074 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](COc2ccccc2F)C(C)(C)C)cc1OC 486437071 RUCUNYGUHUKWBR-HXUWFJFHSA-N 434.464 4.365 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)c(C)c([N+](=O)[O-])c1 486878214 HCLIGRQSMDMGQZ-KRWDZBQOSA-N 443.456 4.076 5 20 IIBD Cc1ccc([C@H](C)NC(=O)c2nnn(-c3cccc(Br)c3)c2C)cc1[N+](=O)[O-] 488046783 GKMGOJZQIKGGNV-LBPRGKRZSA-N 444.289 4.046 5 20 IIBD CCOCCOc1c(Cl)cccc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 488703328 UQTJTTBJWLLTFD-UHFFFAOYSA-N 430.848 4.102 5 20 IIBD O=C(Nc1ccc(CN2CCOCC2)cc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 491400692 MDZHYKLYMRLFOI-UHFFFAOYSA-N 447.491 4.258 5 20 IIBD Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)cc1[N+](=O)[O-] 493943887 GGDBCJGSINMTFE-CQSZACIVSA-N 433.461 4.060 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC(CCN(C)C)CC2)cc1 498636929 DUNJGLOGBYYGPJ-UHFFFAOYSA-N 427.501 4.200 5 20 IIBD COCCSc1ccc([C@@H](C)NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1 504693967 CSNIOQHDLJWJGY-OAHLLOKOSA-N 426.498 4.010 5 20 IIBD COc1cc(N[C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)c(F)cc1[N+](=O)[O-] 508280091 QGMGILJYWLTMHG-NRFANRHFSA-N 448.447 4.487 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 509718559 IAMBBBHKVIENSF-RTBURBONSA-N 425.529 4.255 5 20 IIBD CCCc1nc(C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)co1 510496471 OVWOZMXZAXOROS-UHFFFAOYSA-N 440.525 4.222 5 20 IIBD CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 511800821 DKPQXKQSIQDKLW-IBGZPJMESA-N 433.455 4.227 5 20 IIBD CCOc1cc(C(=O)N2CCC(c3noc4cc(F)ccc34)CC2)c([N+](=O)[O-])cc1OC 514698421 OJCKPPDFPYWDJJ-UHFFFAOYSA-N 443.431 4.302 5 20 IIBD COc1ccc(CC(=O)NCc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)cc1 516065014 JSDOCQMGUXWZOZ-UHFFFAOYSA-N 433.464 4.023 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCn2cccc2[C@@H]1c1ccccc1 517760053 PNRBHNBAAHEVFQ-DEOSSOPVSA-N 430.508 4.245 5 20 IIBD Cc1ccc(Sc2ccc(CNC3CCN(CCN(C)C)CC3)cc2[N+](=O)[O-])cc1 518271715 JNAWEAVTIOLZHJ-UHFFFAOYSA-N 428.602 4.170 5 20 IIBD Cc1ccc(Oc2ccccc2CNC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 518540719 CYSGDZGFLPDACK-UHFFFAOYSA-N 447.495 4.122 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)NC(Cc1ccccc1)Cc1ccccc1 520242229 SNOOUGDMVVOSRQ-UHFFFAOYSA-N 437.883 4.157 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 521546106 TWGMMQKLWBXUOZ-UHFFFAOYSA-N 426.285 4.093 5 20 IIBD O=C(CC1CCCC1)NC1CCC(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)CC1 522358395 QUEFSKTVCROHLI-UHFFFAOYSA-N 439.516 4.179 5 20 IIBD CN(C(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 523125449 YPNBRGGQXRYENN-UHFFFAOYSA-N 445.884 4.326 5 20 IIBD O=C(Nc1cccc(I)c1)c1ccc([N+](=O)[O-])cc1Br 524143072 GGMKAXHDKQIHIC-UHFFFAOYSA-N 447.026 4.214 5 20 IIBD CC[C@@H](Cc1ccccc1)NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] 524329964 LWTOHBLHNITARN-INIZCTEOSA-N 441.509 4.390 5 20 IIBD O=C1[C@H](c2ccccc2)N(Cc2ccccc2)C(=O)N1CCOc1ccc([N+](=O)[O-])cc1 524473831 LKEIHXPTKHJSFV-QFIPXVFZSA-N 431.448 4.179 5 20 IIBD COC(=O)c1ccc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c(F)c1 525310997 CEICNZRGAVDKHU-ZDUSSCGKSA-N 438.415 4.341 5 20 IIBD C[C@@H]1c2ccsc2CCN1C(=O)c1cc(I)cc([N+](=O)[O-])c1 534290805 DUMHPGUBDUQOLH-SECBINFHSA-N 428.251 4.020 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2nc(N3CCOCC3)oc2c1 535305293 UZVCLONTHHUKND-UHFFFAOYSA-N 439.472 4.015 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1ccc(-c2nc3ccccc3[nH]2)cc1 536118073 BOEFGJZMVOLWAC-UHFFFAOYSA-N 425.448 4.478 5 20 IIBD CC[C@H](NCc1ccc(Br)cc1N1CCOCC1)c1cccc([N+](=O)[O-])c1 540164933 OZAYVVPGFLEOBE-IBGZPJMESA-N 434.334 4.435 5 20 IIBD C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccc(F)cc2)cc1 540375193 XMFKYEJGUHKFLF-HNNXBMFYSA-N 436.443 4.276 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC(C(=O)c2ccc(C)cc2C)CC1 541378581 ZFYWVKKUJFWSLI-UHFFFAOYSA-N 425.485 4.025 5 20 IIBD Cc1ccc(C)c(-c2nn(C[C@@H](O)COc3ccccc3[N+](=O)[O-])c(=O)c3ccccc23)c1 543120281 QOGGGSLUFSGIJJ-GOSISDBHSA-N 445.475 4.028 5 20 IIBD Cc1cc(Br)ccc1C(=O)N1CCC(NCc2ccc([N+](=O)[O-])cc2)CC1 544832051 IRSVHNVDMUXOEK-UHFFFAOYSA-N 432.318 4.060 5 20 IIBD NC(=O)NCc1ccc(-c2nc(-c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3)no2)cc1 545078355 KEMPXSWAFUTSOE-UHFFFAOYSA-N 431.408 4.272 5 20 IIBD O=C(Nc1cccc(-c2noc(-c3ccn(-c4ccccc4[N+](=O)[O-])n3)n2)c1)C1CCC1 545560987 BZOYIUSMHPEPRB-UHFFFAOYSA-N 430.424 4.236 5 20 IIBD CSCc1ccc(-c2noc(-c3nn(-c4ccccc4[N+](=O)[O-])c(C)cc3=O)n2)cc1 546355454 RKHPGCOGVMMDLM-UHFFFAOYSA-N 435.465 4.029 5 20 IIBD COc1cc(Cc2noc(CCCOc3ccccc3Br)n2)ccc1[N+](=O)[O-] 547176692 RZLLQSHENHFZKI-UHFFFAOYSA-N 448.273 4.351 5 20 IIBD COc1cc(Br)ccc1-c1noc(COc2ccc([N+](=O)[O-])c(OC)c2)n1 547194869 LDVQBVHBFXWBJQ-UHFFFAOYSA-N 436.218 4.004 5 20 IIBD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])ccc21 559362284 ACCGIZPAJUWHCI-UHFFFAOYSA-N 436.512 4.334 5 20 IIBD Cn1ccnc1[C@H](NCc1csc(CCc2ccccc2)n1)c1ccc([N+](=O)[O-])cc1 560524748 NSWNTNKXQCZZPZ-JOCHJYFZSA-N 433.537 4.449 5 20 IIBD CCC(=O)c1ccc(NCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)c([N+](=O)[O-])c1 563847615 PSUORCRQHLFLLU-UHFFFAOYSA-N 436.468 4.169 5 20 IIBD O=[N+]([O-])c1ccccc1Cc1noc(-c2ccc(S(=O)(=O)Cc3ccccc3)cc2)n1 569176754 GHSCGLZBBUUVGD-UHFFFAOYSA-N 435.461 4.210 5 20 IIBD O=C(NCc1ccccc1Oc1ccccc1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 569754625 HWWBXZDMANJSPK-UHFFFAOYSA-N 445.475 4.195 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)c1 573744392 DNSNFVCJMWEQDM-UHFFFAOYSA-N 427.844 4.109 5 20 IIBD COc1cc(C(=O)N[C@H](C)c2ccc(Br)cc2F)cc([N+](=O)[O-])c1OC 577538395 LTGAAYWDHDKMDG-SECBINFHSA-N 427.226 4.005 5 20 IIBD COCCCOc1ccc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])cc1OC 578177926 QLTSIJDYMLGNKY-UHFFFAOYSA-N 437.452 4.333 5 20 IIBD COc1ccc(CSCC(=O)NCc2ccnc(Oc3ccccc3)c2)cc1[N+](=O)[O-] 603665814 HRKUSCFCYAGEJY-UHFFFAOYSA-N 439.493 4.340 5 20 IIBD COc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)c(OC)c1OC 603996984 KOXHEBRUZPKFNZ-UHFFFAOYSA-N 429.454 4.305 5 20 IIBD O=C(Nc1ccccc1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccs1 608810942 PCXUUARKMDXAJQ-UHFFFAOYSA-N 437.886 4.363 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C(=O)OC(C)C)ccc2Cl)cc1OC 608897638 NVKRZNJSWCOYAB-UHFFFAOYSA-N 436.848 4.473 5 20 IIBD C[C@@H](NC(=O)CCC[S@](=O)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 609547476 GTQZWLUPCBWFDF-SRGMZFCMSA-N 439.331 4.123 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CCC(c3ccccc3F)CC2)c1 609899045 NPKVJLVRECFFOV-UHFFFAOYSA-N 443.294 4.065 5 20 IIBD Cc1ccc(CNC(=O)c2cccc(CNC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)c2)cc1 610040246 YEUKJPHGXMJSMO-UHFFFAOYSA-N 445.519 4.427 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)N1CCC[C@H](N2CCCC2)C1 610132982 OHQZBCRZMNTTMN-SIKLNZKXSA-N 442.947 4.488 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccccc1C(=O)N[C@H](C)c1ccccc1 610679993 FUCLGMJWPOWXCT-MRXNPFEDSA-N 448.479 4.145 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2ccccc2n1C1CC1 611194144 VUDSEQJIBRAVIL-UHFFFAOYSA-N 440.481 4.187 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CCCSc2ccccc21 611373640 MLILXBMNVHHDPJ-UHFFFAOYSA-N 429.317 4.048 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCC3(c4ccccn4)CC3)cc2[N+](=O)[O-])n1 612438158 GRZPNHHELFCVCA-UHFFFAOYSA-N 426.523 4.368 5 20 IIBD O=C(Nc1ccc(-n2cncn2)cn1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 616634323 MHHVUCUSLGRNLI-UHFFFAOYSA-N 449.858 4.088 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCCC[C@@H]3C3OCCO3)cc2[N+](=O)[O-])cc1 726919533 OZWDGJOXWYBTBA-GOSISDBHSA-N 428.510 4.422 5 20 IIBD CCOc1c(C)cc(COC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1C 727641081 RZOQMPIQHPDUJJ-UHFFFAOYSA-N 428.441 4.042 5 20 IIBD O=C(COC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)Nc1cc([N+](=O)[O-])ccc1F 727932635 VANNNVYHLCAARM-NWDGAFQWSA-N 427.215 4.326 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC(c3nncn3C(C)C)CC2)CC1 731852533 WZZJKKYRAUYWSN-UHFFFAOYSA-N 440.548 4.023 5 20 IIBD CCc1ccc(-c2csc(NC(=O)COC(=O)c3ccc([N+](=O)[O-])c(OC)c3)n2)cc1 732335841 QXQITEVKIVVYMY-UHFFFAOYSA-N 441.465 4.085 5 20 IIBD Cc1c(C(=O)OCc2ccccc2Oc2cccnc2)nnn1-c1cccc([N+](=O)[O-])c1 733513238 JRUKDIQDRJDVII-UHFFFAOYSA-N 431.408 4.028 5 20 IIBD CN1C(=O)C[C@@H](COC(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc(Cl)c1 737387874 QHKJMWYOYQIBAA-AOMKIAJQSA-N 445.903 4.203 5 20 IIBD COc1cc(N2CCC(OC(=O)c3sc(C)cc3OC(F)F)CC2)ccc1[N+](=O)[O-] 739384674 KAGVQOKERCLILN-UHFFFAOYSA-N 442.440 4.401 5 20 IIBD CCN(c1ccccc1)c1ccc(CNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])cc1 742118415 MGEZPMOUMZAKOJ-UHFFFAOYSA-N 433.464 4.261 5 20 IIBD Cc1ccc(C2(C(=O)O[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CCOCC2)cc1 745007762 NNHVPFCVPHUSTG-MRXNPFEDSA-N 437.452 4.306 5 20 IIBD C[C@@H](OC(=O)[C@H](C)c1cccc(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 745364533 HLUCROUJTOEPQU-GHMZBOCLSA-N 428.338 4.427 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)CC[C@@H]2CC[C@@H](C)O2)c2ccccc2)c([N+](=O)[O-])c1 745710706 ULBSGXIFYLBLSQ-TVTNDZMWSA-N 426.469 4.474 5 20 IIBD CCOc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 747124922 GBBRVWUMRZZIBA-LLVKDONJSA-N 426.347 4.196 5 20 IIBD CN(C(=O)c1cccs1)c1ccccc1C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1 751636592 HZAWHJUVZDAGEX-UHFFFAOYSA-N 437.433 4.431 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Br)N1CC[C@H](OCCCc2ccccc2)C1 752063206 XWKFQMPKKGFWOI-KRWDZBQOSA-N 433.302 4.221 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccc(Br)cn2)cs1 752980455 LFYFNWWJULVPRE-UHFFFAOYSA-N 448.302 4.194 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 753377885 XWGLQJOCFRUIOF-QHCPKHFHSA-N 446.548 4.306 5 20 IIBD O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cc(F)cc([N+](=O)[O-])c1Br 754638231 CYGCQZXKJCSOJG-HNNXBMFYSA-N 440.269 4.046 5 20 IIBD CN(C)[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1ccc(Cl)cc1 755020858 JHBSWVYNMJYCMG-HNNXBMFYSA-N 444.688 4.183 5 20 IIBD Cc1ccc(-n2nc(Br)cc2C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1 755155219 QVXDFHYZENKWMT-UHFFFAOYSA-N 429.274 4.124 5 20 IIBD CCN(CC)[C@H](C(=O)OC1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1)c1ccccc1 755693998 UNCHTFATZLDUBE-QHCPKHFHSA-N 441.528 4.199 5 20 IIBD C[C@H](OC(=O)Cc1ccc(F)cc1F)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 756622543 OEZZRRDQDQQGPB-NSHDSACASA-N 447.419 4.109 5 20 IIBD CCN(CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)CCC(F)(F)F 757610407 CNVXRVNFGSJXQW-UHFFFAOYSA-N 446.651 4.015 5 20 IIBD O=C(OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1cncc(-c2ccccc2)c1 757892248 SUSARBKGMGRLGX-HXUWFJFHSA-N 431.448 4.118 5 20 IIBD COc1ccc(CSCc2nc(Cc3cccc([N+](=O)[O-])c3C)no2)cc1[N+](=O)[O-] 762319678 LFNUOQAMSHPCSN-UHFFFAOYSA-N 430.442 4.227 5 20 IIBD COc1cc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)ccc1NC(=O)c1cccnc1 764190902 ABLBHYXWMBESLJ-UHFFFAOYSA-N 426.816 4.156 5 20 IIBD Cc1ccsc1C(=O)Nc1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 767762857 MNUKZGUNJHODLZ-UHFFFAOYSA-N 438.508 4.355 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 767879975 BYHKYYLSPWNSOT-DZGCQCFKSA-N 437.418 4.439 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)C(F)(F)F 768740638 CRYJPCFNEURYRW-AZUAARDMSA-N 434.418 4.324 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)O[C@@H](C)C(=O)Nc1ccccc1Br 769887197 JLUCHOSHDVMXMH-ZDUSSCGKSA-N 435.274 4.467 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)Nc1ccc2nc(N3CCOCC3)sc2c1 770021316 WWDQBJVGDIYLDO-UHFFFAOYSA-N 433.877 4.339 5 20 IIBD CN1C(=O)CC[C@H](C(=O)Oc2cc(F)cc([N+](=O)[O-])c2)[C@H]1c1ccc(C(F)(F)F)cc1 771485611 AUQWLWLQANMQRB-FUHWJXTLSA-N 440.349 4.268 5 20 IIBD O=C(OCC1CCN(Cc2ccco2)CC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 772693018 ZDORRFOBLZKKMB-UHFFFAOYSA-N 442.390 4.198 5 20 IIBD Cc1nn(C)c(C)c1[C@H](OC(=O)c1sc(Br)cc1[N+](=O)[O-])C(F)(F)F 774145944 CYSRWZMMKKQRHQ-NSHDSACASA-N 442.213 4.230 5 20 IIBD Cc1cc(CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC(C)C)nc(N2CCCCC2)n1 774906702 ABVUWQXNBWPUPS-UHFFFAOYSA-N 442.520 4.250 5 20 IIBD O=C(COC(=O)CCc1ccc2[nH]ccc2c1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 775959560 ANNSULYTVIMJST-UHFFFAOYSA-N 435.358 4.209 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 777989470 OHAWZIZVQQZCIV-MRXNPFEDSA-N 449.287 4.111 5 20 IIBD COc1ccc(Cn2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3Br)n2)cc1 779187086 YUDBGUUODFYGNM-UHFFFAOYSA-N 449.236 4.002 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1nnc(SCc2ccccc2)s1 781558891 AWZUCLRZEQPOAE-UHFFFAOYSA-N 445.482 4.218 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@H](c2nc(-c3cccc(CN4CCCCC4)c3)no2)C1 781609490 DFDRTFHBTOWOHF-NRFANRHFSA-N 433.468 4.496 5 20 IIBD COc1ccc(C)cc1[C@@H](C)OC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 781624810 OZOPNHCNJAULFK-CYBMUJFWSA-N 428.470 4.110 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](OC(=O)[C@@H](O)C1CCCCC1)c1ccccc1 782373002 WETFMCMAUIXFIJ-PMACEKPBSA-N 446.887 4.412 5 20 IIBD O=C(c1cc(F)ccc1[N+](=O)[O-])N(Cc1cccc(Br)c1)C1CCOCC1 786671279 MGLCQJIYFRFQQR-UHFFFAOYSA-N 437.265 4.318 5 20 IIBD COc1cccc(OC)c1Oc1ccc(CNC(=O)c2cc([N+](=O)[O-])cc(C)c2F)cn1 790293814 ZTPMFTLMFOJFLW-UHFFFAOYSA-N 441.415 4.177 5 20 IIBD CN(C)c1cc(F)c(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1[N+](=O)[O-] 791196176 FHDPVUUBFJNBJU-UHFFFAOYSA-N 428.489 4.429 5 20 IIBD CN(C)c1cc(F)c(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc1[N+](=O)[O-] 791329384 SLYWEJOPEKGPAY-UHFFFAOYSA-N 428.464 4.068 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)N(c2nccs2)C2CCCCC2)cc([N+](=O)[O-])c1C 791692421 DJZQUVWBEAJYAG-CQSZACIVSA-N 447.513 4.280 5 20 IIBD Cc1nc(SC(F)F)sc1CC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 793059971 VXUWHEQQOWDEDE-UHFFFAOYSA-N 425.385 4.457 5 20 IIBD CCOc1cc(Br)c(F)cc1NC(=O)c1cc([N+](=O)[O-])c2nsnc2c1 794200296 ZKDLPUXWZUBEBN-UHFFFAOYSA-N 441.238 4.152 5 20 IIBD CCCc1[nH]nc(C(=O)OCc2coc(-c3ccc(Br)cc3)n2)c1[N+](=O)[O-] 796266190 HYLAOBVNNXROFE-UHFFFAOYSA-N 435.234 4.045 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)C3CCCC3)ccc2F)cc1[N+](=O)[O-] 797462846 ROFRQLRBSBMMHV-CQSZACIVSA-N 434.489 4.250 5 20 IIBD O=C(CCN(Cc1ccccc1)C[C@H](O)c1cccs1)Nc1ccccc1[N+](=O)[O-] 800350750 JSSXYSBBSMVRNE-FQEVSTJZSA-N 425.510 4.221 5 20 IIBD COc1ccc(CN(CC2CCC2)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c(OC)c1 801042164 BCBIBTJBZGXJIH-UHFFFAOYSA-N 443.456 4.271 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC[C@H](c1ccc(Cl)cc1)C(C)C 804707190 XPJWYLTYWHFGAO-KRWDZBQOSA-N 434.876 4.004 5 20 IIBD CCC[C@H](CCc1ccccc1)NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810370367 VICWHBHTLXNKEV-OAHLLOKOSA-N 448.317 4.214 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1 810403414 QDDIMRDZDZRGGR-CABCVRRESA-N 446.301 4.138 5 20 IIBD CCc1csc(-n2cc(C(=O)OCc3csc(-c4cccc([N+](=O)[O-])c4)n3)cn2)n1 811219944 BYKASCUABAYLQE-UHFFFAOYSA-N 441.494 4.280 5 20 IIBD CCOC(=O)/C(=C\c1cc(I)cc([N+](=O)[O-])c1)c1ncccc1C 811690580 FDCVPUFGFGQIOU-DHDCSXOGSA-N 438.221 4.007 5 20 IIBD CO[C@](C)(C(=O)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)C1CC1 812665957 WFQBYOZNUCTJAT-NQIIRXRSSA-N 432.860 4.286 5 20 IIBD CCOc1ccc([C@H](O)C2CCN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])CC2)cc1 816780593 HXFSCXLRXUVTAS-QFIPXVFZSA-N 426.513 4.243 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(=O)N1CCCc2ccccc21 823252744 OICKAFQBCLVQRQ-KRWDZBQOSA-N 437.496 4.110 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)cc1[N+](=O)[O-] 843125367 UBKHXANAMHGIBR-UHFFFAOYSA-N 439.284 4.016 5 20 IIBD CCN(Cc1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1)C(=O)OC(C)(C)C 918103681 IFXLDYCDDZXIOO-UHFFFAOYSA-N 429.473 4.369 5 20 IIBD Cn1c(COC(=O)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc2cc(Cl)ccc21 918796395 HVSZQGNSXFABPD-UHFFFAOYSA-N 442.781 4.309 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1 920155982 BFMBASAFBLYSTR-FZKQIMNGSA-N 432.860 4.166 5 20 IIBD O=[N+]([O-])c1cc(CNC[C@@H](O)COc2cccc(F)c2)ccc1Oc1ccc(F)cc1 920182760 RLDGCEPHHAVPHA-GOSISDBHSA-N 430.407 4.195 5 20 IIBD Cc1ccc([C@H](C)NC(=O)c2nn(-c3ccccc3F)cc2Br)cc1[N+](=O)[O-] 1252699720 DLPZIDKXBJEGIZ-LBPRGKRZSA-N 447.264 4.482 5 20 IIBD Cc1cc([C@H](C)NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)c(C)o1 1322392906 UURHHRDPDCDRPE-ZDUSSCGKSA-N 440.422 4.416 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccc(-c3nnc(Cc4cccs4)o3)cc2)c1 1329075220 RWAUIOAFFWNQHN-UHFFFAOYSA-N 443.462 4.065 5 20 IIBD C[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 1800352795 YBGDUFDNRFVBMR-OQIJWPOYSA-N 439.487 4.180 5 20 IIBD COC(=O)c1cc(C(=O)OCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc([N+](=O)[O-])c1 3490118 PUONTWLCBSQVDT-UHFFFAOYSA-N 442.468 4.424 5 20 IIBD COc1ccc(Nc2nnc(S[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)s2)cc1 3563182 STULLYLSLCGJPJ-LLVKDONJSA-N 431.499 4.318 5 20 IIBD Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)[nH]n2)cc1 11494132 HREFLIXJRLWQNV-GFCCVEGCSA-N 428.832 4.131 5 20 IIBD Cc1nc(-c2ccc(CCNC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)cc2)cs1 12621080 UXPPWTXEXHWYAT-UHFFFAOYSA-N 426.454 4.216 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2csc(-c3ccc(F)cc3)n2)c([N+](=O)[O-])c1 19616419 NMFQOLULOWWLPD-UHFFFAOYSA-N 445.428 4.052 5 20 IIBD C[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)NC[C@@H](C)c1ccccc1 23204588 FWUROIDXUFAPCJ-MOPGFXCFSA-N 442.515 4.006 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc([N+](=O)[O-])c1 24028706 VUSYGFGVQRQYGV-UHFFFAOYSA-N 439.449 4.338 5 20 IIBD Cc1ccc(-c2ccsc2C(=O)OCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 26658919 WOFGZCAXPXRPQP-UHFFFAOYSA-N 440.433 4.156 5 20 IIBD COc1ccc(NC(=O)CNc2cccc(OCc3ccc(F)cc3)c2)c([N+](=O)[O-])c1 26787509 WXMRYFIHSHSHNN-UHFFFAOYSA-N 425.416 4.372 5 20 IIBD CCNc1ccc(C(=O)OCC(=O)Nc2ccc(SC(F)F)cc2)cc1[N+](=O)[O-] 28277654 KGJLDNJGCQMSHI-UHFFFAOYSA-N 425.413 4.137 5 20 IIBD CCN(CC)[C@@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccsc1 31988111 SXBZIEWXMSRQJH-NRFANRHFSA-N 430.574 4.072 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3cc4c(cc3F)CCC(=O)N4)cc2[N+](=O)[O-])CC1 32048544 NBOXOUVZXPJORU-UHFFFAOYSA-N 426.448 4.107 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H]3CCC[C@H](C)C3)cc2)cc1[N+](=O)[O-] 33182337 NCTCXIGNYRDKQB-KBXCAEBGSA-N 431.514 4.013 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1 64696322 BEGBMRNLQYGPMF-QGZVFWFLSA-N 443.459 4.166 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H](CO)c3ccccc3)c([N+](=O)[O-])c2)c(C)c1 78603925 JWQMUEXUVPQKFL-NRFANRHFSA-N 441.509 4.158 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(OCC(=O)N(C)C(c2ccccc2)c2ccccc2)c1 107676776 SRIFAZNRKIYGKY-UHFFFAOYSA-N 434.448 4.008 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCN(c2ccc(Cl)cn2)CC1 109248472 DEXIVHKIPNYNFU-UHFFFAOYSA-N 438.871 4.398 5 20 IIBD Cn1c(-c2ccc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)cc2)nc2ccccc21 110583090 CMRBGMYPFZOXSB-UHFFFAOYSA-N 430.420 4.172 5 20 IIBD CSc1ccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)cc1[N+](=O)[O-] 195744507 CZCOHYLQQHLGBQ-UHFFFAOYSA-N 445.504 4.494 5 20 IIBD C[C@H](Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 249692400 MMOFHGGTYBSJSN-HNNXBMFYSA-N 443.529 4.209 5 20 IIBD CCc1cc(Oc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)n2ncnc2n1 301104006 PZSICHQCOGNNMO-UHFFFAOYSA-N 429.392 4.161 5 20 IIBD Cc1cccc(Oc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)c1[N+](=O)[O-] 301850956 PDXKUVDDQQQTJT-UHFFFAOYSA-N 426.738 4.309 5 20 IIBD CN(C)CCN(Cc1ccccc1F)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 426259372 XXQQBXKKUDESAD-UHFFFAOYSA-N 442.413 4.026 5 20 IIBD Cc1cc(NC(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)ccc1Oc1ccncc1 427234424 LVXFDNJCNPIHSL-UHFFFAOYSA-N 446.463 4.220 5 20 IIBD COc1ccc(NC(=O)C2(NC/C=C/c3ccccc3[N+](=O)[O-])CCCC2)cc1OC 428375831 CZUFLXJLJCZGJB-VQHVLOKHSA-N 425.485 4.166 5 20 IIBD C[C@H]1C[C@@H](C)CN(C[C@H](C)NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 436126595 FCRRNEMROCSSMJ-ZNMIVQPWSA-N 427.495 4.056 5 20 IIBD Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436424960 KNBRMVKEIMTAMB-LJQANCHMSA-N 436.462 4.287 5 20 IIBD O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437032986 FKNXCOZBIGOMEN-UHFFFAOYSA-N 441.793 4.397 5 20 IIBD CC[C@@H]1CN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCS1 437148517 QPDJFJDHRRDTMA-OAQYLSRUSA-N 436.537 4.344 5 20 IIBD C[C@H]1CCCN(Cc2csc(NC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)n2)C1 437559823 RHHPBHDTTBTXEW-HNNXBMFYSA-N 429.546 4.480 5 20 IIBD Cc1cc(C)n(-c2ccc(CCNC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)cc2)n1 437924540 ZYUJNDGFUBSMMP-UHFFFAOYSA-N 433.512 4.314 5 20 IIBD C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccc(Br)s1 442731080 HFXKMUYQHXSZMZ-SECBINFHSA-N 442.316 4.007 5 20 IIBD CCc1[nH]nc(C(=O)N[C@@H](c2ccc(OC)cc2C)c2ccccc2Cl)c1[N+](=O)[O-] 444289598 HTRNIQFBOBBNQX-SFHVURJKSA-N 428.876 4.370 5 20 IIBD COc1ccc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1N1CCCC1=O 444850901 AISPJKYQKSMQPX-UHFFFAOYSA-N 427.460 4.069 5 20 IIBD Cc1c(Cl)cccc1NC(=O)Cc1noc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 445333245 NSZOAGMTPUEAGN-UHFFFAOYSA-N 425.832 4.193 5 20 IIBD Cc1c(-c2nc(-c3ccc([N+](=O)[O-])s3)no2)sc2nc3n(c(=O)c12)CCCCC3 445467348 AODUZTXHUUEXFF-UHFFFAOYSA-N 429.483 4.180 5 20 IIBD CC(C)(c1noc(CSc2ccc(C(N)=O)cc2[N+](=O)[O-])n1)c1ccccc1Cl 445679989 AXCADQIXJXTXGL-UHFFFAOYSA-N 432.889 4.348 5 20 IIBD COc1cc(Cc2noc(-c3ccc(N4CCCCCC4)nc3)n2)c([N+](=O)[O-])c(OC)c1 445815748 OFDQRMXEYRODKU-UHFFFAOYSA-N 439.472 4.028 5 20 IIBD Cc1ccc(CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(OCC(F)(F)F)c1 446319902 HSABAROZCOZBJH-UHFFFAOYSA-N 448.401 4.175 5 20 IIBD CC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])C1 446425746 UUBYUHBYCCLYTR-GOSISDBHSA-N 439.512 4.397 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc([C@@H]3C[C@H]4CC[C@H]3C4)[nH]n2)c(C(F)(F)F)c1 446942898 UXSXXRFISQLGMW-JBLDHEPKSA-N 430.408 4.041 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CC[C@@H](CN3CCCCC3)C2)cc1[N+](=O)[O-])c1ccccn1 461439165 PGBGZGGGLCVQGH-OALUTQOASA-N 437.544 4.111 5 20 IIBD O=C1[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)CCCN1c1ccc(OC(F)F)cc1 462121643 OPTLXPYWPOKLHA-GOSISDBHSA-N 428.395 4.352 5 20 IIBD C[C@H](NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1)c1cccc([N+](=O)[O-])c1 467836134 GIDMBJDLKAIEDC-INIZCTEOSA-N 443.500 4.063 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 467844005 LZNVBIDAWIXRTE-UHFFFAOYSA-N 436.173 4.175 5 20 IIBD Cc1cc(C(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)cc([N+](=O)[O-])c1 468741292 ZEWKZEMDNGPFAN-UHFFFAOYSA-N 432.274 4.154 5 20 IIBD CCOC(=O)c1ccc2c(c1)CCCN2C(=O)Cn1c2ccccc2c(=O)c2ccccc21 468790961 BWCAZJRTSRPFKB-UHFFFAOYSA-N 440.499 4.311 5 20 IIBD COc1ccc(Br)c(CN(C)C(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1 469846141 IFKZVRHQXHUBCA-UHFFFAOYSA-N 430.258 4.186 5 20 IIBD C[C@H]1OCC[C@@]12CN(C(=O)c1ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c1)CCO2 470665242 BKCYRJQQKMYSET-SPLOXXLWSA-N 448.928 4.419 5 20 IIBD CC(C)c1[nH]nc(C(=O)N[C@@H](Cc2cccc(Br)c2)CC2CC2)c1[N+](=O)[O-] 479263513 NZXQIWDCSCDLAX-OAHLLOKOSA-N 435.322 4.345 5 20 IIBD CC(C)(C)OC(=O)CCc1cccc(Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 480546437 AEYFLHWIHYUZSJ-UHFFFAOYSA-N 426.516 4.078 5 20 IIBD Cc1c(CNC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)cccc1[N+](=O)[O-] 481478221 YNUKUHFCXBTYMN-SFHVURJKSA-N 436.295 4.131 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 482314044 CIJHEXDLTRWUHQ-OAHLLOKOSA-N 437.525 4.136 5 20 IIBD O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 482367642 DPVNTUGWTCPNNO-QGZVFWFLSA-N 444.360 4.008 5 20 IIBD CCC(CC)C(=O)N1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)CC1 483128087 DVUISNPAXBIKFY-UHFFFAOYSA-N 435.590 4.500 5 20 IIBD COc1ccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)C2=O)cc1 485393673 CCPOZKOULHNCRE-LJQANCHMSA-N 436.443 4.018 5 20 IIBD Cn1c(C(=O)N(CC(=O)Nc2ccccc2F)Cc2ccc(Cl)cc2)ccc1[N+](=O)[O-] 488079079 IVNXYIIJFHHMBD-UHFFFAOYSA-N 444.850 4.007 5 20 IIBD CCN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 488977547 RQIQCUJYRDLAMI-UHFFFAOYSA-N 433.711 4.222 5 20 IIBD CCn1c(SCc2csc(CC(=O)OC(C)C)n2)nnc1-c1ccc([N+](=O)[O-])cc1 489410795 UTGJQUGCIFUQNZ-UHFFFAOYSA-N 447.542 4.116 5 20 IIBD COc1cccc(Oc2ncccc2CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 489855572 FAQZMHMZLXFNBK-UHFFFAOYSA-N 445.378 4.322 5 20 IIBD Cc1ccc([C@H](C)NC(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)cc1[N+](=O)[O-] 489899592 RHTYPGLMUNCIIC-QRVBRYPASA-N 440.544 4.073 5 20 IIBD Cc1c(CN2CCSCC2)cccc1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 490040162 PWZOQGGQKKVTAN-UHFFFAOYSA-N 428.558 4.283 5 20 IIBD Cc1ccc(S(=O)(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)c([N+](=O)[O-])c1 490048798 MQODOYXNUBOCPT-CXAGYDPISA-N 444.431 4.073 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)cc1[N+](=O)[O-] 491602352 TYVYXFVTAOPSRT-AWEZNQCLSA-N 440.905 4.081 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](CC(C)(C)C)c1ccc(Cl)cc1 493527000 OARMKCKZXADBEH-KRWDZBQOSA-N 433.892 4.489 5 20 IIBD COc1ccc(C[C@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1OC 493912082 VKSGCYXEVJTWTE-LBPRGKRZSA-N 426.391 4.239 5 20 IIBD COc1cc(CN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC(F)F 494497914 YEOKCECJDRQEKC-KBXCAEBGSA-N 428.819 4.478 5 20 IIBD COc1cc(CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C2CC2)ccc1O 494778171 GBZZUWBHZKSAQE-UHFFFAOYSA-N 428.488 4.060 5 20 IIBD CN(C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)[C@@H]1CCC[C@H]1O 497826272 PCIGSQSFAXLFOK-IAGOWNOFSA-N 437.855 4.234 5 20 IIBD Cn1c(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)ccc1[N+](=O)[O-] 498462887 HTNIYMJRXFNVIZ-SFHVURJKSA-N 444.944 4.178 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2cccnc2OCC(F)F)cc1[N+](=O)[O-])c1ccccn1 498736690 MSOSJULSNRCIKX-ZDUSSCGKSA-N 443.410 4.454 5 20 IIBD Cn1ncc([N+](=O)[O-])c1C(=O)Nc1nc2cc(Cl)ccc2n1CCCc1ccccc1 501131497 XPFOBLBMKQSWIZ-UHFFFAOYSA-N 438.875 4.217 5 20 IIBD C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(N2CCCC2=O)c1 501628391 JDWHQAJEPITBIM-CQSZACIVSA-N 436.493 4.336 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 503249250 YVMRCKVYUPGMNM-QGZVFWFLSA-N 435.864 4.045 5 20 IIBD Cc1cc(Br)cc(C)c1N1CCC[C@@H](Oc2ccc([N+](=O)[O-])c(CO)c2)C1=O 504948456 JWWNOGPCWXCKRF-GOSISDBHSA-N 449.301 4.041 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 507540850 YPRYZDZPKCPIAD-LBPRGKRZSA-N 425.466 4.289 5 20 IIBD COc1cccc(-c2nc(C[S@](=O)CCC(=O)Nc3ccccc3[N+](=O)[O-])cs2)c1 507708880 PAVNTYVAUJXJGL-SSEXGKCCSA-N 445.522 4.004 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(Sc3ncccn3)cc2C)cc([N+](=O)[O-])c1 508483703 IVAQGFMRTOEDBK-UHFFFAOYSA-N 438.465 4.273 5 20 IIBD COc1cc(C(=O)NCc2ccc(-n3nc(C)cc3C)cc2C(F)(F)F)ccc1[N+](=O)[O-] 512120143 FSAAQVYYKODKIV-UHFFFAOYSA-N 448.401 4.355 5 20 IIBD O=C(N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 512290275 SPLKXRWXRIBEJA-KSSFIOAISA-N 438.402 4.434 5 20 IIBD Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCCc4c3cccc4[N+](=O)[O-])c12 513838876 YYLMZCGGGYPKJR-UHFFFAOYSA-N 427.464 4.445 5 20 IIBD C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)Nc2ccccc2)cc1 515429635 VDJZZGSKTCOLFK-INIZCTEOSA-N 434.452 4.495 5 20 IIBD O=C1[C@@H](Nc2cccc(COCCOc3ccccc3)c2)CCN1c1cccc([N+](=O)[O-])c1 518791799 CKNKFEDHRVGYKO-DEOSSOPVSA-N 447.491 4.408 5 20 IIBD Cc1ccccc1-n1nc(C)c(CN(C)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c1C 520063455 SLYYOZFYQDATTL-UHFFFAOYSA-N 444.495 4.164 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1 520111891 IIIAFFRQEFBOQX-UHFFFAOYSA-N 430.392 4.217 5 20 IIBD O=[N+]([O-])c1ccc(-c2cnn(Cc3nc(-c4cccc(Br)c4)no3)c2)cc1 520490360 SQAPHAHUCZVFHF-UHFFFAOYSA-N 426.230 4.319 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 520860815 SIQMHUHTVBDKJM-QGZVFWFLSA-N 436.493 4.209 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H](C)C[C@@H]3CCCO3)c([N+](=O)[O-])c2)c(C)c1 522622521 XWBGMFNYKCLTTD-IRXDYDNUSA-N 433.530 4.382 5 20 IIBD O=C(NCCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C1CCC1 530729569 CIAHPGVDVCPFDI-UHFFFAOYSA-N 436.306 4.013 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CC[C@H](C4CCOCC4)C3)cc2[N+](=O)[O-])n1 533685952 OZEJKRMBXBIEFS-INIZCTEOSA-N 433.555 4.400 5 20 IIBD COc1cc(CN[C@@H](C)c2ccc([S@@](C)=O)cc2)c([N+](=O)[O-])cc1OCC(F)(F)F 534468166 UUNMBEVVBVSTLI-IDPPAEMMSA-N 446.447 4.133 5 20 IIBD CC(=O)c1c(C)cc(C)c(CS(=O)(=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1C 534795367 BYLYYGGQZRONKR-UHFFFAOYSA-N 442.493 4.493 5 20 IIBD CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])O[C@@H](C)C2 537590815 WWZRSOCZVNUFHX-SOVGHPHASA-N 444.915 4.433 5 20 IIBD CC(=O)N[C@@H](CC(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1)c1ccc(C)cc1 539349424 RQYDRLLIMNRRRA-SFHVURJKSA-N 438.509 4.257 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1OC 541025848 CZNUZEVWICFRPJ-NVXWUHKLSA-N 443.548 4.403 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-] 541137567 CBZJFIJEPOAQNL-HNNXBMFYSA-N 435.436 4.212 5 20 IIBD COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 541331554 QHDZBXLQXLQOCG-ISKFKSNPSA-N 431.492 4.433 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCCCS1 542260992 AQLURYKFLOXFDY-OAHLLOKOSA-N 437.543 4.102 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1n[nH]cc1-c1ccc2c(c1)OCO2 542404068 GUVMIMJMYQJQQC-UHFFFAOYSA-N 432.845 4.098 5 20 IIBD Cc1cc(-c2noc([C@@H](C)N[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)n2)ccc1F 543543622 CDYZAALJGDBUJU-ZIAGYGMSSA-N 427.436 4.079 5 20 IIBD COc1cccc([C@@H]2C[C@H](C)CN2CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1 544118606 YWYAIJYSBAZNKJ-DJJJIMSYSA-N 448.317 4.388 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3nc(-c4ccnc(OCC(F)F)c4)no3)cs2)cc1 545845146 WQJDCBKQSUOGHR-UHFFFAOYSA-N 431.380 4.474 5 20 IIBD O=C(NC[C@H]1CCCSC1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 553731712 PVGVNVNINTZSEG-CYBMUJFWSA-N 431.480 4.089 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC(c2nc(-c3ccccn3)no2)CC1 555738079 BFRSXHKEFCQWAM-UHFFFAOYSA-N 447.373 4.078 5 20 IIBD CC1CCN(c2ccc(-c3nc([C@H](C)CNC(=O)c4ccccc4)no3)cc2[N+](=O)[O-])CC1 558593452 SWTZLVBWHIENGQ-QGZVFWFLSA-N 449.511 4.415 5 20 IIBD COc1cc(CN[C@@H]2CCOC3(CCOCC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 561542433 JKEIDUJMCMUDCH-HXUWFJFHSA-N 442.512 4.000 5 20 IIBD CCOc1ccc(NC(=O)CN[C@@H](C)c2ccc(Br)cc2F)c([N+](=O)[O-])c1 567796816 LYGFWMZDLVEHKN-NSHDSACASA-N 440.269 4.184 5 20 IIBD CC[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(OC)c(OC)c1 569637014 DEISXWMJNOADED-HXUWFJFHSA-N 430.504 4.439 5 20 IIBD COc1cc(C(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)c([N+](=O)[O-])cc1OC 574114039 TYVQXLLAUIKJSQ-UHFFFAOYSA-N 427.432 4.252 5 20 IIBD COC(=O)c1ccc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)s1 576621229 ZFFODKYZEQICSH-UHFFFAOYSA-N 441.252 4.188 5 20 IIBD O=C(NC[C@H](NCc1ccccc1)c1ccco1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 581841542 OEBQXVNBEMVUPS-NRFANRHFSA-N 448.523 4.052 5 20 IIBD CN(C(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2)c1ccc([N+](=O)[O-])nc1 588984048 IYDGNLUNPFACOR-UHFFFAOYSA-N 425.876 4.374 5 20 IIBD COC(=O)COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2cccc(C)c2)cc1[N+](=O)[O-] 602756685 DRTLRCLFHOXLHQ-QHCPKHFHSA-N 447.447 4.226 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 603569062 RJKHTCIAQKQZLJ-UHFFFAOYSA-N 437.456 4.315 5 20 IIBD O=C(c1ccccc1)c1ccc(NCc2cccc(CN3CCOCC3)c2)c([N+](=O)[O-])c1 603867880 LGKUHGXSBGHHIW-UHFFFAOYSA-N 431.492 4.270 5 20 IIBD CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)cc21 604020415 MJWZNKFNYOWTMH-UHFFFAOYSA-N 438.484 4.193 5 20 IIBD CCN([C@@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 604493757 IMXMXNNFAASOLH-LBPRGKRZSA-N 432.420 4.394 5 20 IIBD CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 608794178 PWXBRQDCONMXDB-MRXNPFEDSA-N 429.496 4.067 5 20 IIBD Cc1nn(CCC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)c(C)c1[N+](=O)[O-] 608802717 HMCCSMBGKSJHRJ-UHFFFAOYSA-N 430.468 4.290 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCO[C@H](c4cccc(F)c4)C3)cc2[N+](=O)[O-])C1 608965384 XHYDLSYDOUDVII-QZMQVMSPSA-N 441.503 4.430 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)c(Cl)c1 609405771 SDACXIXHPWGYBV-UHFFFAOYSA-N 432.889 4.249 5 20 IIBD Cn1nc(C(F)(F)F)c(-c2ccc(Cl)cc2)c1NC(=O)c1ccc([N+](=O)[O-])n1C 609453084 UWPCXOBEXBDFQN-UHFFFAOYSA-N 427.770 4.258 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCc3cccc(CN(C)C(C)C)c3)cc2)c(C)c1[N+](=O)[O-] 609526414 WFLFFHVOJJLWKF-UHFFFAOYSA-N 449.555 4.227 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)N2CC[C@@H](c3ccco3)C2)cc1[N+](=O)[O-] 609529198 LBHYEPVVTAUTKR-QGZVFWFLSA-N 433.464 4.115 5 20 IIBD O=C(c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)N1CCc2c1cccc2[N+](=O)[O-] 609972479 LAQXPPFSAIPDBZ-UHFFFAOYSA-N 435.440 4.246 5 20 IIBD CC[C@@H](c1ccncc1)N(C)C(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] 609981172 DALJZDMIZQQWMU-KRWDZBQOSA-N 442.497 4.257 5 20 IIBD COc1ccc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])cn2)cc1 610194446 GUUFQJZJQUMTTC-UHFFFAOYSA-N 435.845 4.245 5 20 IIBD CN(CCO)c1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)nc1 611198841 DCJVTWJFHRKASM-UHFFFAOYSA-N 447.289 4.053 5 20 IIBD CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)CC2 611208209 PWJUQNMFHHUPRC-PMACEKPBSA-N 434.558 4.022 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 611514209 SPBHTQXAZVCAOZ-PHIMTYICSA-N 433.736 4.173 5 20 IIBD Cc1ccc(Br)cc1NC(=O)CCNc1ncnc2ccc([N+](=O)[O-])cc12 611708295 BORZPSYYLRNGAT-UHFFFAOYSA-N 430.262 4.050 5 20 IIBD O=C(Cc1nc(O)c2cc3ccccc3cc2n1)Nc1cc(Cl)ccc1N1CCOCC1 614114877 DDFJWROEHQDREW-UHFFFAOYSA-N 448.910 4.160 5 20 IIBD COc1cc(CSc2nnc(-c3ccncc3)n2C2CC2)c([N+](=O)[O-])cc1OC(F)F 619268344 PZMZVQRHIYNZTE-UHFFFAOYSA-N 449.439 4.486 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(Cc1cccnc1)c1cc(C)ccc1Cl 619623614 YZZGGJKDYWQCRQ-UHFFFAOYSA-N 447.900 4.356 5 20 IIBD O=C1CN(CN(Cc2ccccc2C(F)(F)F)C2CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 726585759 MYOSUVUEBYHMSI-UHFFFAOYSA-N 448.401 4.004 5 20 IIBD C[C@H](c1ccccc1)c1ccc(OC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)cc1 728852600 OJAGUOLMNRZSLR-MRXNPFEDSA-N 432.432 4.078 5 20 IIBD C[C@H](OC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)Nc1cccc(Br)c1 730646315 BMQREFGCUDTYMF-VIFPVBQESA-N 427.638 4.195 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cccc(OC2CCCC2)c1 731264907 UQISRDVPJWRFIG-CQSZACIVSA-N 428.441 4.109 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1cccc(CSc2ccccn2)c1 733468788 VLMAOJISRMYOEI-UHFFFAOYSA-N 437.477 4.386 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F 734771043 OCXMOKUSNAFERR-HZPDHXFCSA-N 442.422 4.464 5 20 IIBD CN1C(=O)C[C@@H](COC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@H]1c1cccc(Cl)c1 737391504 ZXVRUMOTNXULLH-VBKZILBWSA-N 427.844 4.106 5 20 IIBD CC(C)(C)OC(=O)Nc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 739383574 ZOXBLWYMPKEJGP-UHFFFAOYSA-N 427.866 4.396 5 20 IIBD COc1cc(N2CCC(OC(=O)COc3ccc(Cl)c(C)c3)CC2)ccc1[N+](=O)[O-] 739384167 GPBOSJKWQBBOHA-UHFFFAOYSA-N 434.876 4.156 5 20 IIBD Cn1cc(CC(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 743861879 SPDPADWQGQAZML-FQEVSTJZSA-N 449.507 4.257 5 20 IIBD C[C@@H](OC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1nc(Cc2ccc(Cl)cc2)no1 744885320 ASFHIFRGZJMZLD-LLVKDONJSA-N 435.795 4.044 5 20 IIBD C[C@@H](OC(=O)c1ccccc1-c1nc(C(C)(C)C)no1)C(=O)Nc1ccc([N+](=O)[O-])cc1 744933562 UFYXQWOVOVKFGQ-CYBMUJFWSA-N 438.440 4.126 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc(C)c(NC(=O)OC(C)(C)C)c1 745454908 GJHHFHYHSXJVSF-UHFFFAOYSA-N 443.456 4.354 5 20 IIBD CCOCCOCc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)c1C 745982667 WUZFWVSTHBTOOC-UHFFFAOYSA-N 437.290 4.471 5 20 IIBD COCCNC(=O)/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1nc2ccccc2[nH]1 745998063 GCHMVOKVEHBQLM-SAPNQHFASA-N 432.436 4.034 5 20 IIBD COc1ccccc1-c1nc(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cs1 746917881 IMFJETZBCWTCOP-CYBMUJFWSA-N 441.465 4.219 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)c1ccc[nH]1 749955218 DXWHTDXBUDOYKF-QGZVFWFLSA-N 444.241 4.222 5 20 IIBD O=C(COC(=O)c1cccc(Cl)c1[N+](=O)[O-])Nc1ccc(Br)cc1Cl 750536093 UZRJUVZMDDMYPC-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCCCC[C@@H]1C[C@H](O)c1cccs1 750837246 NQJDNRIXFKXNKG-APWZRJJASA-N 445.541 4.323 5 20 IIBD O=C(COC(=O)c1ccc(Br)cc1[N+](=O)[O-])Nc1cccc(C(F)(F)F)c1 750966164 VOJMOTXPHQXASK-UHFFFAOYSA-N 447.163 4.172 5 20 IIBD CC(C)CCn1ncc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1C(C)C 753311150 RCCRPEREVHQISI-UHFFFAOYSA-N 428.537 4.315 5 20 IIBD C[S@@](=O)Cc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)ccc1Cl 754975865 FDDKZWBBHWWCAJ-RUZDIDTESA-N 449.685 4.281 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)NC1CCC(N2CCCCC2)CC1 755035400 KCYCOYLFQSUVKR-UHFFFAOYSA-N 425.327 4.276 5 20 IIBD Cc1cccc(OCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1[N+](=O)[O-] 755276689 YNJKUDMYRZUDAZ-KRWDZBQOSA-N 433.464 4.412 5 20 IIBD O=C(COC(=O)c1ccc(F)cc1[N+](=O)[O-])N[C@@H](c1ccccc1)c1ccc(Cl)cc1 758111908 COACELPOSHXHAD-NRFANRHFSA-N 442.830 4.450 5 20 IIBD Cc1nn(C)c(C)c1OCC(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1OCc1ccccc1 759057306 SCFQHSAVRRZTME-UHFFFAOYSA-N 444.875 4.195 5 20 IIBD C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 759853014 MXFMHWJDGUVGLT-NSHDSACASA-N 439.251 4.292 5 20 IIBD Cc1cc(Cc2noc([C@@H]3CC(=O)N(Cc4ccccc4Cl)C3)n2)ccc1[N+](=O)[O-] 762298330 LJIHHLRMBNEFKV-MRXNPFEDSA-N 426.860 4.047 5 20 IIBD COc1cc(C)c(Br)cc1NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 765203245 YOXJIQPHVHOXJD-UHFFFAOYSA-N 438.234 4.154 5 20 IIBD O=C(Nc1ccc(-c2ccccc2)cc1F)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 766397145 BUBBERMHERALKK-UHFFFAOYSA-N 433.395 4.307 5 20 IIBD O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1CCC2(CC1)OCCO2 767302117 RENNEHBQGQLIDU-UHFFFAOYSA-N 434.901 4.379 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2c3c(nn2C)CCCC3)c2ccccc2)c([N+](=O)[O-])c1 767580135 YIFACKGEIGEPAO-QFIPXVFZSA-N 448.479 4.052 5 20 IIBD CN(C[C@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1)C(=O)OC(C)(C)C 769335632 VLQSOCSGQPXNFG-OAHLLOKOSA-N 432.546 4.407 5 20 IIBD CC(C)CO[C@@H](C)c1noc(CN(C)Cc2c(Br)cccc2[N+](=O)[O-])n1 769559254 WKXDIRPEUVJMPZ-LBPRGKRZSA-N 427.299 4.106 5 20 IIBD Cc1cccc(-c2nnc([C@@H](C)N3CCCN(c4nc5ccc([N+](=O)[O-])cc5[nH]4)CC3)o2)c1 775672406 FNTLOZPESKIVMN-MRXNPFEDSA-N 447.499 4.103 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nn1C1CCCCC1 776433223 HIDGSZHIHRECNF-ZDUSSCGKSA-N 434.880 4.442 5 20 IIBD O=C(O[C@H]1CCCN(c2ccccc2)C1=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781257101 JIMZVUFSAPYNIQ-NRFANRHFSA-N 448.425 4.312 5 20 IIBD COc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1OC 781266975 DGBXTJWBBPYJSJ-CQSZACIVSA-N 431.444 4.127 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCc2[nH]c3ccc(Cl)cc3c2C1 781948519 AQBGTOZGPDBEDN-UHFFFAOYSA-N 428.832 4.155 5 20 IIBD Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)cc1C(=O)N(C)C(C)C 782475650 VAANRTCOSHBDSD-UHFFFAOYSA-N 439.921 4.146 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1Br 785659188 GPBGCUBQGCMKMR-UHFFFAOYSA-N 448.151 4.214 5 20 IIBD Cc1ccc(N2CCNC2=O)cc1NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 785966429 YZDKTADYQXLHCU-UHFFFAOYSA-N 431.452 4.429 5 20 IIBD CCOc1ccc([C@@H]2CCCN2C(=O)COc2cc([N+](=O)[O-])ccc2Br)cc1 786745472 HPQKFWROBUTXHL-SFHVURJKSA-N 449.301 4.499 5 20 IIBD CC[C@@H]1c2ccsc2CCN1C(=O)COc1cc([N+](=O)[O-])ccc1Br 786746547 IEESZIBAHNXWAE-CQSZACIVSA-N 425.304 4.334 5 20 IIBD O=C(O[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1)C1(c2ccc(F)cc2)CCOCC1 787023697 CPSHCKZTIZWIKP-LJQANCHMSA-N 446.450 4.133 5 20 IIBD Cn1ccnc1[C@@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 787293511 AYRMYKJNAXHMSH-KRWDZBQOSA-N 435.362 4.135 5 20 IIBD COC(=O)[C@@H](OC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccsc1 788927957 ZMXXWIZPFRBKLT-DJJJIMSYSA-N 441.465 4.296 5 20 IIBD COc1ccc(OC(=O)[C@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)cc1[N+](=O)[O-] 792123744 OOKYWKDQQCLBFC-NSHDSACASA-N 449.510 4.158 5 20 IIBD COc1ccc([C@H]2CCCN2C(=O)COc2cc(F)c([N+](=O)[O-])cc2Cl)cc1OC 795262123 SGTKXHFSKKNKPI-OAHLLOKOSA-N 438.839 4.147 5 20 IIBD COc1ccccc1[C@@H]1CC[C@H](C)CN1Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O 795676499 SRNZMHFZBKIJEZ-JTSKRJEESA-N 434.496 4.258 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2ncccc2Cl)c2ccccc2)c([N+](=O)[O-])c1 796577211 CRCQZENYRSOFPR-IBGZPJMESA-N 425.828 4.488 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)OCCc1nccs1 796955177 WSMURIGXHMFMLO-UHFFFAOYSA-N 434.477 4.232 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Oc3ccc4oc(=O)oc4c3)cc2[N+](=O)[O-])n1 799417239 HHXQXVQBXPDVGL-UHFFFAOYSA-N 430.419 4.430 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)Nc2c(F)ccc([N+](=O)[O-])c2C)CC1 800150869 CDJZFCBECGJLCY-UHFFFAOYSA-N 449.866 4.195 5 20 IIBD COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 800564279 GOVCLSKZQGFMLF-UHFFFAOYSA-N 433.380 4.307 5 20 IIBD C[C@H](OC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(C(F)(F)F)nc1 803063030 ZMBRVYYMQJRBIY-NSHDSACASA-N 439.346 4.001 5 20 IIBD COc1cc(Br)ccc1OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 809058296 WHGDJZAWTBWJDW-UHFFFAOYSA-N 435.274 4.188 5 20 IIBD O=C(OCc1c(Cl)ccc(F)c1Cl)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 809177412 BUOJAAJWKDKONR-UHFFFAOYSA-N 441.198 4.051 5 20 IIBD O=[N+]([O-])c1cc(F)c(S(=O)(=O)Oc2ccc(OCc3ccncc3)cc2)cc1Cl 809809355 NJJPDICVWSKZKJ-UHFFFAOYSA-N 438.820 4.129 5 20 IIBD O=C(CC1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1)NC1CCCC1 812929719 KYPAJIGJXUJNLH-UHFFFAOYSA-N 428.316 4.203 5 20 IIBD COc1ccc(S(=O)(=O)Nc2nc3ccc(SC(F)F)cc3s2)c([N+](=O)[O-])c1 817929923 VNIVYYCMQSJDQI-UHFFFAOYSA-N 447.466 4.329 5 20 IIBD C[C@H](OC(=O)CSc1ccccc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 848703748 PHSKSEDCYFUBTD-ZDUSSCGKSA-N 443.506 4.381 5 20 IIBD CC(=O)N1CCN(c2cccc(NCc3c(Br)cccc3[N+](=O)[O-])c2C)C1=O 864011557 IFRFKARZCLZRQN-UHFFFAOYSA-N 447.289 4.066 5 20 IIBD CC(C)[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)N[C@H]1CCOc2ccccc21 877043385 HRJFHWBOHFTENB-PKOBYXMFSA-N 432.860 4.070 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Oc2ccc(C(=O)N(C)C)cc2)cc1 915156864 SRTWTXMLTWAJCJ-UHFFFAOYSA-N 436.420 4.317 5 20 IIBD Cc1ccc(-c2nc(C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cs2)o1 915467119 FRSFDLXLAGNTKF-JTQLQIEISA-N 435.845 4.457 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1Br 916659080 FOOOQWRFXXBOIO-UHFFFAOYSA-N 425.182 4.177 5 20 IIBD CCOc1c(Cl)cc(CNC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1OC 917766695 WQYKGGWQHLTPFU-UHFFFAOYSA-N 443.681 4.348 5 20 IIBD CCCOc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1OC 918589125 GCOQDRCXCQBZFK-INIZCTEOSA-N 427.501 4.483 5 20 IIBD COCCn1c(-c2ccccc2Cl)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 1117689258 NZXWBRNDBBRVMH-UHFFFAOYSA-N 427.892 4.322 5 20 IIBD O=C(c1csc(Cc2ccc(Cl)cc2)n1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1321706527 ZLGVDNLSRYODDE-UHFFFAOYSA-N 442.928 4.258 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(F)ccc2NC(=O)OC(C)(C)C)c1C 1321742358 CGLLHPJAMSMCLD-UHFFFAOYSA-N 439.465 4.499 5 20 IIBD Cc1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)nn2C)n(-c2ccc([N+](=O)[O-])cc2)n1 1324108973 QCQLQQUAEOBIKF-UHFFFAOYSA-N 436.859 4.395 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[C@@H](C)c1ccc(F)cc1F 1332140714 DOCJIVDTYTYLDY-ZDUSSCGKSA-N 430.411 4.464 5 20 IIBD CCc1cc(OCC(=O)OC[C@@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])ccc1Cl 1343441083 BDRUYRLRCZRQSK-INIZCTEOSA-N 446.887 4.037 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)[nH]n1)c1ccc2occc2c1 1818706165 GSWLQDTWXKAYJD-KRWDZBQOSA-N 448.439 4.012 5 20 IIBD C[C@@H]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1823679262 JLVBDQWHUULXDS-YSZBQJHXSA-N 441.572 4.193 5 20 IIBD CCC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C)c([N+](=O)[O-])cn3)CC2)CCC1 1828475782 FRNQAZLTWCQAHW-FQEVSTJZSA-N 442.560 4.112 5 20 IIBD O=C(COC(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(Br)c(C(F)(F)F)c1 9754441 QTJGOMXBBRKDRF-UHFFFAOYSA-N 447.163 4.172 5 20 IIBD Cc1ccc(NC(=O)COC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(Br)c1 11025563 OUBWFLDJBGTBJX-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)cc1[N+](=O)[O-] 17589650 QLMFKPKMAANCSO-UHFFFAOYSA-N 438.494 4.250 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 19425960 SJWOBBHFVHCNLQ-UHFFFAOYSA-N 429.429 4.046 5 20 IIBD COc1cc(NC(=O)c2ccccc2)c(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1OC 19605192 BWSSQYXDJUTRND-UHFFFAOYSA-N 436.420 4.221 5 20 IIBD CN(C)c1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c2c[nH]c3ccccc23)cc1 21621390 RAORTTQZWNZEOB-HXUWFJFHSA-N 444.491 4.410 5 20 IIBD CC(=O)N1CCN(c2ccc(C(=O)Nc3ccccc3-c3ccccc3)cc2[N+](=O)[O-])CC1 22567725 PKHCKVQCCKVANR-UHFFFAOYSA-N 444.491 4.183 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2nnc(SCc3ccccc3)s2)cc([N+](=O)[O-])c1 24025062 OYKVOZNKXZPPSK-UHFFFAOYSA-N 444.494 4.168 5 20 IIBD Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 32144533 DANDCAPVGNZNOZ-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD C[C@H]1CN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)C[C@@H](C)O1 32799575 FSJKADARYJFAMG-KSMMKXTCSA-N 448.317 4.146 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1cccnc1Oc1ccccc1 36759608 LMUGBTMTFUIFFT-UHFFFAOYSA-N 434.408 4.109 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1cccc(C)c1C(=O)NCCc1ccccc1 63284735 AWPJNZNMMJDDEN-UHFFFAOYSA-N 446.507 4.235 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(OCC)cc2C(F)(F)F)cc([N+](=O)[O-])c1 64849740 ZNGWKJORFOFFNO-UHFFFAOYSA-N 426.347 4.441 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@H](c2ccc(Br)cc2)C1 109042930 ZGWOPVSXQBCJNO-INIZCTEOSA-N 425.666 4.224 5 20 IIBD Cc1cc(NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)c(Br)cc1[N+](=O)[O-] 302699661 UOSXUHIFLKHMIG-INIZCTEOSA-N 448.317 4.187 5 20 IIBD C[C@@H](c1ccccc1)N1CCC(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 303706065 PBAOJXZBKMRWJB-IBGZPJMESA-N 436.556 4.153 5 20 IIBD COc1ccccc1[C@H](NC(=O)CCn1cc([N+](=O)[O-])nc1C)c1ccccc1Cl 303886504 OKMAPGFOQFHNAA-OAQYLSRUSA-N 428.876 4.058 5 20 IIBD COc1cc(OCC(=O)N[C@@H](Cc2ccccc2)c2sccc2C)ccc1[N+](=O)[O-] 303927936 WUGZRTOEVYYDBX-SFHVURJKSA-N 426.494 4.452 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCOc2c(Br)cccc21 409715280 PGZRDDDCHKUARJ-HNNXBMFYSA-N 440.681 4.334 5 20 IIBD COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(SC)ccc1[N+](=O)[O-] 426274912 FBIZQCDIYLDIGP-UHFFFAOYSA-N 442.415 4.151 5 20 IIBD O=C(O)[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1cnc(-c2ccsc2)s1 426738581 XGMIEXOXUZDRKN-QGZVFWFLSA-N 428.495 4.047 5 20 IIBD CC1CCN(Cc2cccc(CNC(=O)COc3ccc([N+](=O)[O-])c4cccnc34)c2)CC1 428046616 GKNQTHIWBLYSMO-UHFFFAOYSA-N 448.523 4.070 5 20 IIBD Cc1c(NC(=O)C(=O)NCc2ccc3ccccc3c2)cc(Br)cc1[N+](=O)[O-] 430298192 CPNPOSPOKBOIHC-UHFFFAOYSA-N 442.269 4.074 5 20 IIBD Cc1cc(NC(=O)Cc2cccc(OCC(F)(F)F)c2)n(-c2ccc([N+](=O)[O-])cc2)n1 432208329 OABIWBXNSPNEAM-UHFFFAOYSA-N 434.374 4.211 5 20 IIBD Cc1c(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2F)nnn1-c1cccc([N+](=O)[O-])c1 432843714 SDWUFBNFAJHEDW-LJQANCHMSA-N 427.411 4.130 5 20 IIBD O=C(c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)N(Cc1ccccc1)c1ccccc1 435651316 RNNXETLHOLZOMI-UHFFFAOYSA-N 429.432 4.095 5 20 IIBD CC(C)(CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccc2c(c1)OCCO2 436230709 IWRNONISMQDXGP-UHFFFAOYSA-N 428.488 4.160 5 20 IIBD CO[C@]1(C)C[C@@H](N(C)C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1(C)C 436333988 DNHHIRHAEMMDKI-UYGSHGSRSA-N 426.517 4.439 5 20 IIBD O=C(Nc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c(O)c1)c1cc(F)cc(F)c1 436757149 HAJPSFUMJHYUPC-UHFFFAOYSA-N 439.374 4.034 5 20 IIBD Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C3)cc1 436962499 FGHJJVQYAHGHAS-UHFFFAOYSA-N 446.463 4.451 5 20 IIBD O=C(N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 438050410 NAHXOAFVQGYCQH-KOMQPUFPSA-N 437.422 4.103 5 20 IIBD Cc1ccc([C@H](C)NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1[N+](=O)[O-] 438250607 ZDJQQJWFXVQBCJ-HNNXBMFYSA-N 429.432 4.195 5 20 IIBD COc1cc(NC(=O)CCn2cnc3cc4ccccc4cc3c2=O)c(OC)cc1Cl 438787787 WKFYMUFIGSSCRG-UHFFFAOYSA-N 437.883 4.249 5 20 IIBD O=C(NCc1ccc(-n2cncn2)cc1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 440726681 NDBRMBJIGJFHDG-UHFFFAOYSA-N 431.477 4.257 5 20 IIBD O=C(Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 442942773 LFKLHJSZCWZHBJ-DHIUTWEWSA-N 439.512 4.132 5 20 IIBD C[C@@H]1CCN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)[C@@H]1CO 443386010 IEOMZBLYZSFOLF-MLGOLLRUSA-N 429.523 4.199 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F 443973270 YTVBMUFFBNOHHK-CQSZACIVSA-N 426.775 4.110 5 20 IIBD COc1cc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)ncc1Br 444296068 ZBEVDOAARJJRKM-UHFFFAOYSA-N 442.244 4.239 5 20 IIBD O=C(NCCc1nc2ccccc2n1C(F)F)c1cccc2c(=O)c3ccccc3[nH]c12 445179863 JVTHUKSIERRATN-UHFFFAOYSA-N 432.430 4.399 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1nc(-c2nnc(-c3ccccc3)o2)no1 446014840 ASWQIEBOMZZDJE-UHFFFAOYSA-N 446.345 4.368 5 20 IIBD O=C(Nc1ccnc(Oc2ccc(F)cc2F)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 448450903 WPAUCEYNQWZKDM-UHFFFAOYSA-N 437.362 4.498 5 20 IIBD CC(=O)Nc1ccc(S[C@H](C)C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 460346896 IGXQLHQGDXEGHS-XCLFUZPHSA-N 431.539 4.308 5 20 IIBD C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1OCCCO 461113442 MSWSOSUJLYAOTB-GFCCVEGCSA-N 438.278 4.001 5 20 IIBD Cc1cccc(NC2CCN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])CC2)c1 462347549 JKFAWNGERXXFNS-UHFFFAOYSA-N 444.340 4.475 5 20 IIBD Cc1oc(-c2cccs2)nc1CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464658693 IPMNQMWZNTVZDQ-UHFFFAOYSA-N 427.482 4.232 5 20 IIBD CC(C)Oc1ccc(Cl)cc1NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 464673457 OABNCFTXJSXBDK-CQSZACIVSA-N 437.905 4.340 5 20 IIBD C[C@@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)Oc1cccc(Br)c1 464681590 GAOSNCUAOFKQPP-STQMWFEESA-N 439.331 4.422 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 464718675 FOIFTWXFZINDSF-GOSISDBHSA-N 446.301 4.163 5 20 IIBD CC[C@@H]1Oc2cc([C@H](C)NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)ccc2NC1=O 465360253 VXXSBRMPZNQPBZ-LXIYXOSZSA-N 429.498 4.062 5 20 IIBD CC(C)CCSc1ccc(C(=O)N(CC(=O)N(C)C)c2ccccc2)cc1[N+](=O)[O-] 467110706 QIBAMSPCQHEBDL-UHFFFAOYSA-N 429.542 4.468 5 20 IIBD COc1cc(CSCc2cc(-c3cnn(C)c3C)no2)c([N+](=O)[O-])cc1OC(F)F 467311315 PDFGXTZZFVOYRK-UHFFFAOYSA-N 440.428 4.335 5 20 IIBD COc1cc(C(=O)N2CCCCC[C@@H]2CC(=O)c2ccccc2)cc([N+](=O)[O-])c1OC 467537533 XZXRCKNEHLYSCR-GOSISDBHSA-N 426.469 4.270 5 20 IIBD CCc1c(-c2ccc(Br)cc2)n[nH]c1NC(=O)c1cccc([N+](=O)[O-])c1N 468695186 RYYYGWZLYXQHTN-UHFFFAOYSA-N 430.262 4.144 5 20 IIBD COc1ccc(CNCc2cc(Br)cc(Br)c2N)cc1[N+](=O)[O-] 470167439 BCOUJDDLRJLUJD-UHFFFAOYSA-N 445.111 4.000 5 20 IIBD C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCCN(c2nnc(C(F)(F)F)s2)CC1 470211863 NGFLRUJPXVHZQP-RAXLEYEMSA-N 427.452 4.081 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H](OCc2ccccc2F)C1 470688123 DOPYOFIPHLMSPE-KRWDZBQOSA-N 437.265 4.318 5 20 IIBD CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 475214240 GHQXLBDILODFAD-GFCCVEGCSA-N 430.427 4.020 5 20 IIBD Cn1cnc([N+](=O)[O-])c1CSc1nc2ccccc2c(=O)n1Cc1ccc(Cl)cc1 476492566 USNWHFIWOFRJOO-UHFFFAOYSA-N 441.900 4.032 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 477473313 SQPGJTGOEPVWTQ-HNNXBMFYSA-N 437.283 4.445 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@@H]1C[C@H]1c1ccc(Br)s1 478010538 PLBSIJWTQYGCMW-VXGBXAGGSA-N 448.298 4.018 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 478760146 PGMPSPASKHDHEG-QGZVFWFLSA-N 443.294 4.067 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(F)c1I 479011835 ARSIRAMJAAPCIG-UHFFFAOYSA-N 443.216 4.045 5 20 IIBD COc1cc(Cl)c(Cl)cc1NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O 482057064 SSRFPYKSENDDLV-UHFFFAOYSA-N 449.250 4.017 5 20 IIBD O=C(c1ccn(-c2ccc(Br)cc2)n1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 484961445 SSMRSKFUEVEVDN-UHFFFAOYSA-N 441.285 4.348 5 20 IIBD CCO[C@H](C)c1noc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)n1 485503131 JSNUQNJDNOGMKH-CQSZACIVSA-N 442.497 4.499 5 20 IIBD COCCN(C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)[C@H]1CCO[C@H]1C 488852089 JPMDYORELADHNB-YWZLYKJASA-N 447.919 4.126 5 20 IIBD COC(=O)c1c(Br)ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C 489632614 KSJBJBZDFPQTDI-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C 489872846 PRZSZWDGRQYQBQ-SFHVURJKSA-N 443.569 4.070 5 20 IIBD COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)ccc1NC(N)=O 492456749 MQKWXSMANJDVRW-UHFFFAOYSA-N 438.465 4.498 5 20 IIBD COc1cc(OCC(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)ccc1[N+](=O)[O-] 498522568 KYELVFQUEUZWBY-UHFFFAOYSA-N 442.472 4.029 5 20 IIBD CCNC(=O)[C@H](C)NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 498793639 RHGZFHGMFYHBLE-NSHDSACASA-N 441.431 4.019 5 20 IIBD Nc1cccc([N+](=O)[O-])c1C(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 499738372 DUVUASHMBJJWFD-UHFFFAOYSA-N 427.464 4.019 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(F)cc2OC(C)(C)C)cc1OC 500615247 XZFQBCSBXSVMOD-UHFFFAOYSA-N 436.436 4.197 5 20 IIBD CC(=O)NCc1ccc(-c2nc(NC(=O)c3c(C)cccc3[N+](=O)[O-])sc2C)s1 503066442 BOVRERSBAYCFFD-UHFFFAOYSA-N 430.511 4.285 5 20 IIBD Cc1[nH]c2ccccc2c1C1=CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 503464947 WJMOEKUPPYRBHY-UHFFFAOYSA-N 425.510 4.046 5 20 IIBD CCOc1cc(C(=O)N2CCC[C@H](Oc3ccccc3Cl)C2)c([N+](=O)[O-])cc1OC 504634276 FPVHMGFJLJZETC-AWEZNQCLSA-N 434.876 4.339 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cc(F)c(Br)c(Cl)c1 506230982 FJXKHHXFOGWABE-UHFFFAOYSA-N 432.633 4.209 5 20 IIBD CNC(=O)c1ccc(CNC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1 507948616 CXGSOVBHVRCWKT-UHFFFAOYSA-N 435.505 4.344 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(Oc2ccc(F)cc2)c(Br)c1 508349007 UVIKEMWAEXBRSF-UHFFFAOYSA-N 435.209 4.124 5 20 IIBD CCOc1cc(NC(=O)N[C@@H](C)[C@@H]2CCCN(C3CCC3)C2)c([N+](=O)[O-])cc1OCC 511226910 FVWUMLKTRQXSLO-JKSUJKDBSA-N 434.537 4.167 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 513031533 LYNZEGKORCSBLL-NRFANRHFSA-N 445.519 4.301 5 20 IIBD CC(C)Cc1ccc([C@@H](NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C2CC2)cc1 513573635 XWWTYJBCTCRSHL-OAQYLSRUSA-N 430.526 4.078 5 20 IIBD COc1cc(CCNC(=O)Nc2cc(Cl)c(OC)c(Cl)c2)c([N+](=O)[O-])cc1OC 513878609 QSYBCDLWBOIHFM-UHFFFAOYSA-N 444.271 4.292 5 20 IIBD Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 516444031 ONGFSSQOQTVPBO-JTQLQIEISA-N 440.681 4.135 5 20 IIBD CC(C)N(Cc1ccccc1F)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 517495677 ABGGKWXAWFLWGC-UHFFFAOYSA-N 431.283 4.096 5 20 IIBD CC(=O)NC1CCC(N(C)C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 517621669 UIUXDAXTPKORNT-UHFFFAOYSA-N 426.473 4.298 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cc(-c2ccc3c(c2)CCC3)nn1-c1ccccc1 520100866 ZPHLMVJGXQWCBJ-UHFFFAOYSA-N 442.479 4.080 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)cc1C 520629108 WDGMIBPQXABOOK-UHFFFAOYSA-N 445.541 4.209 5 20 IIBD O=C(N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)c1cc2cccc([N+](=O)[O-])c2[nH]1 520978758 FUEUWDPJRIEMKD-IBGZPJMESA-N 441.447 4.372 5 20 IIBD Cc1cc(C)n(-c2ccc(CNC(=O)NCc3cccc([N+](=O)[O-])c3)c(C(F)(F)F)c2)n1 522238368 CQRJTMDPWZNUBZ-UHFFFAOYSA-N 447.417 4.416 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 522685701 RGQICSJXMILTON-QMMMGPOBSA-N 434.720 4.359 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2C(=O)N2CCC(C)(C)CC2)c1 524165457 HZOLDVXTPDHRMP-UHFFFAOYSA-N 445.541 4.275 5 20 IIBD CCO[C@@H]1C[C@H](N(C)C(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C12CCCCC2 525528703 BAZKQOVRNJUQEQ-ZWKOTPCHSA-N 442.459 4.405 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)Cc1cc2c(cc1OC(F)F)OCO2 532971038 BEXBNIFCDBSXQB-NSHDSACASA-N 448.382 4.168 5 20 IIBD COc1cc(NC(C)=O)ccc1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 533406299 YAEYYOASAFOUGP-UHFFFAOYSA-N 434.452 4.426 5 20 IIBD CN1Cc2ccccc2[C@@H](NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 533878674 YQJGXWNENHQNCZ-HNNXBMFYSA-N 425.432 4.009 5 20 IIBD O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)c1c[nH]c2cccc([N+](=O)[O-])c12 534234686 SIGNFGMQNBKFRN-ZDUSSCGKSA-N 443.301 4.095 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)c1ccc(C)cc1 535667358 ZAXCFMVUJYGKPA-UHFFFAOYSA-N 430.526 4.266 5 20 IIBD Cc1ccccc1[C@@H]1CCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 535735483 OFEBEZMCFNPDAS-CYBMUJFWSA-N 436.249 4.138 5 20 IIBD CCC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c1 537054898 BDEIGZBEKSWUOF-CVEARBPZSA-N 448.545 4.086 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccccc2C(=O)N2CCC(C)CC2)c1 539502204 UFGHHJXSDJFNST-UHFFFAOYSA-N 425.485 4.183 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(OCC3CC3)c(F)c2)c([N+](=O)[O-])c1 540425447 ZVXZMNIMGDVSKN-ZIAGYGMSSA-N 431.464 4.209 5 20 IIBD Cc1nc(-c2ccc([C@@H](C)NCCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cs1 541327491 ZMBVDYNAOQULHA-CQSZACIVSA-N 431.539 4.151 5 20 IIBD CCC(CC)C(=O)N1CCC(NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 541585817 NTPVLYLCYDDQDL-UHFFFAOYSA-N 430.427 4.162 5 20 IIBD COc1cc(CN[C@@H](C)c2noc(Cc3ccccc3)n2)c([N+](=O)[O-])cc1OC(F)F 541692639 WWONHAHKKVKHCW-LBPRGKRZSA-N 434.399 4.029 5 20 IIBD Cc1c([N+](=O)[O-])cnc(NCC2(N[C@H](C)c3ccccc3)CCOCC2)c1Br 542506899 SUUFHGNYEXUVND-OAHLLOKOSA-N 449.349 4.373 5 20 IIBD Cc1c(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)oc2c(Br)cccc12 542952433 XFOMQTGJZLNKDO-LBPRGKRZSA-N 445.273 4.134 5 20 IIBD CC(C)NC(=O)c1ccc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)cc1 545044629 BDFZZWFOLSGXMJ-UHFFFAOYSA-N 445.273 4.136 5 20 IIBD COc1cccc(OC)c1OC1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 545119262 JXTCOHWUEHSFLD-UHFFFAOYSA-N 446.475 4.099 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 546795788 WCBSBBJSRAWKJF-UHFFFAOYSA-N 433.389 4.045 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(NC(=O)N(CC)CC)cc2)c1 548965223 CNDHPTYYSMSXBX-HNNXBMFYSA-N 428.489 4.358 5 20 IIBD COC(=O)c1cc(C)nc(Nc2ccc(F)c(NC(=O)c3ccoc3C)c2)c1[N+](=O)[O-] 553271424 UHWAQUJKXOOLGK-UHFFFAOYSA-N 428.376 4.121 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCO[C@@H](c4ccccc4)C3)n2C[C@H]2CCCCO2)c1 559217037 ZOMPTZZBNJFXRF-FGZHOGPDSA-N 449.511 4.000 5 20 IIBD CSc1ccc([C@@H](CN[C@@H](c2cccc([N+](=O)[O-])c2)c2nccn2C)N(C)C)cc1 559919870 SLJIEYWDESPSOM-RTWAWAEBSA-N 425.558 4.032 5 20 IIBD CC(C)n1ncc2cc(NCc3cc(I)cc([N+](=O)[O-])c3)cnc21 571371115 JJPBVAVSVVWPAF-UHFFFAOYSA-N 437.241 4.137 5 20 IIBD COC[C@@H](NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])[C@@H]1CCCO1 576934263 SHFHYUROIQRUML-SJORKVTESA-N 436.917 4.323 5 20 IIBD COc1cc(Cc2noc([C@H](C)Oc3cnc4ccccc4c3)n2)c([N+](=O)[O-])c(OC)c1 578469776 ZKJDMAXKCZHFEX-ZDUSSCGKSA-N 436.424 4.274 5 20 IIBD COc1cc(CN2CC[C@H](n3cc(Cl)cn3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 580767206 ZBXZBHZTINFTLN-FQEVSTJZSA-N 442.903 4.479 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)c1 583096215 CDYVWRGCXBTGSD-HNNXBMFYSA-N 425.485 4.426 5 20 IIBD O=[N+]([O-])c1cc2c(N3CCO[C@H](c4cccc(OC(F)(F)F)c4)C3)ncnc2s1 588857373 ZPGOBCQUBWTGBI-ZDUSSCGKSA-N 426.376 4.076 5 20 IIBD C[C@H]1CCCN(c2nnc(SCCOc3cccc([N+](=O)[O-])c3)n2Cc2ccco2)C1 603724397 QQLIOYDSDDMONU-INIZCTEOSA-N 443.529 4.235 5 20 IIBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc2nc(-c3ccccc3Cl)[nH]c2c1 603940743 WJLULRKRNHROBV-UHFFFAOYSA-N 449.854 4.160 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)c(F)c1 603974558 QYCPASZBXLHVIG-UHFFFAOYSA-N 437.352 4.043 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 609116596 RWWZLLNQPWZAIQ-UHFFFAOYSA-N 447.875 4.200 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C3CCCC3)C3CC3)cc2)cc1[N+](=O)[O-] 609345734 KAAOCAGOOXEIDQ-UHFFFAOYSA-N 443.525 4.251 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H](C(C)(C)C)CC1 609702557 FUQNPYHAKYJBQM-IEBWSBKVSA-N 435.590 4.121 5 20 IIBD Cc1cc(C(=O)COc2ccc([N+](=O)[O-])cc2Br)c(C)n1-c1nccs1 609961786 HHSIQLCRDJSUOZ-UHFFFAOYSA-N 436.287 4.483 5 20 IIBD Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)o1 609978269 IHUFASVGIIEBBT-LJQANCHMSA-N 447.476 4.350 5 20 IIBD Cc1ccc(NCCCNC(=O)N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)c([N+](=O)[O-])c1 610090879 NKTBRJWCBUUTJR-NHCUHLMSSA-N 430.480 4.064 5 20 IIBD CCOc1cc(C(=O)NC2(c3cccc(Br)c3)CC2)c([N+](=O)[O-])cc1OC 610119044 SUPMAVMVOAKVDT-UHFFFAOYSA-N 435.274 4.184 5 20 IIBD O=C(Cc1ccc(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1)N1CCc2ccccc21 610910690 FQUVCHNGBBLLAX-UHFFFAOYSA-N 445.475 4.110 5 20 IIBD COC(=O)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)c1ccccc1 611209903 WJLFQJIXQWATFL-LJQANCHMSA-N 428.510 4.316 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O 613300661 FMVKXUOQIXRADO-HNNXBMFYSA-N 436.390 4.157 5 20 IIBD O=C(CNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])NC1CCCC1 613400139 NJFFVEQBTCJGBP-UHFFFAOYSA-N 433.917 4.188 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CC[C@]3(C2)C(=O)Nc2ccccc23)cc1[N+](=O)[O-] 614533908 BMALSQUVFOYRJP-HSZRJFAPSA-N 439.537 4.469 5 20 IIBD CCOC(=O)c1sc2[nH]c([C@H](C)Sc3ccc([N+](=O)[O-])cc3F)nc(=O)c2c1C 618965185 SJWFNBJJJXVXIT-VIFPVBQESA-N 437.474 4.370 5 20 IIBD C[C@H](OC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 725936989 NGGSDYJOHYFGPZ-STQMWFEESA-N 432.423 4.175 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3ccc(SC(F)F)cc3s2)c(F)c1 727243182 UYQHOZMVFUDRBX-UHFFFAOYSA-N 435.430 4.459 5 20 IIBD COc1cccc(CC(=O)N2CCc3ccc(NC(=O)c4cc(F)ccc4[N+](=O)[O-])cc32)c1 727319090 OECCBNWGRGPOQU-UHFFFAOYSA-N 449.438 4.127 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)c1cc(F)c(F)cc1[N+](=O)[O-] 727708128 MHEBPWYBYYDATE-UHFFFAOYSA-N 436.367 4.097 5 20 IIBD Cc1ncsc1COC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 727771799 DXLHXPBVNPQCBQ-UHFFFAOYSA-N 434.477 4.498 5 20 IIBD COc1ccccc1N(C(C)=O)c1nc(COC(=O)c2ccc([N+](=O)[O-])c(F)c2)cs1 728154423 JLYSCZKVGXTHBN-UHFFFAOYSA-N 445.428 4.241 5 20 IIBD C[C@@H](OC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 728318006 CENDHQINAHZKAW-SNVBAGLBSA-N 428.388 4.109 5 20 IIBD COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OS(=O)(=O)CCC(C)C 729482898 YSBHQLGNWWEJQW-IBGZPJMESA-N 446.525 4.340 5 20 IIBD O=C(O[C@H]1CCCN(C(=O)c2ccccc2Cl)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 732613695 DMRGVYUKPTYSGX-AWEZNQCLSA-N 427.844 4.191 5 20 IIBD O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 733993540 URXVTXFBQJYOFK-QGZVFWFLSA-N 448.445 4.192 5 20 IIBD Cc1noc(C)c1CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Cc1c(C)noc1C 736623280 JOTNNATZBHCPFD-UHFFFAOYSA-N 447.879 4.099 5 20 IIBD CC(=O)Nc1cccc(NC(=O)[C@H](OC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C(C)C)c1 736864969 ABTRBDDYTKZVJS-GOSISDBHSA-N 433.848 4.027 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1 742884608 BZAYFVCJYUYRKO-CQSZACIVSA-N 439.472 4.169 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(Cc3ncc(-c4ccc(Br)cc4)o3)CC2)cc1 743835983 MVXFWBWPFMYAGX-UHFFFAOYSA-N 443.301 4.335 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 744354734 AMQMYDPBJXWZEJ-QGZVFWFLSA-N 446.237 4.192 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 744676735 CCKBXSMXYDFFOZ-QGZVFWFLSA-N 441.484 4.469 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)C2CCC(c3ccccc3)CC2)c([N+](=O)[O-])c1 745501817 QROQZXUDRWSABM-UHFFFAOYSA-N 426.469 4.449 5 20 IIBD C[C@@H](Nc1ccc2c(c1)OCCCO2)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 747380382 LZEJNZBQCNRZFL-LLVKDONJSA-N 425.363 4.214 5 20 IIBD CCOc1cc(C(=O)OCc2c(C)nn(-c3ccccc3)c2C)c([N+](=O)[O-])cc1OC 747573550 LSUNQARAQYEZCS-UHFFFAOYSA-N 425.441 4.162 5 20 IIBD COc1ccc([C@@H]2CCCCCN2C(=O)COC(=O)Cc2cccc([N+](=O)[O-])c2C)cc1 748471067 MKELMFIQVDTIBY-QFIPXVFZSA-N 440.496 4.141 5 20 IIBD CC(C)Oc1ccc(C(=O)COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 749279477 XFNGNRIGQAOBBL-UHFFFAOYSA-N 429.472 4.368 5 20 IIBD C[C@@H](Oc1ccc(F)cc1Br)C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1 751648650 ZPDMRVYQJCCMSU-SECBINFHSA-N 439.193 4.148 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)cc2F)C[C@H](C)O1 751999062 GNSCRPPTQGBELI-GJZGRUSLSA-N 430.480 4.404 5 20 IIBD COc1cccc(C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)n1 752570880 CYZJFBRRJVRDDY-LJQANCHMSA-N 441.827 4.189 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)Nc1ccccc1SC(F)F 754983599 OBYHSZMBQXMOIL-UHFFFAOYSA-N 434.779 4.498 5 20 IIBD C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1ccc([S@@](C)=O)cc1 756039585 IQDXVHXIVUQFHT-OLUQVHSISA-N 445.722 4.239 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CC2(CCC2)Oc2ccccc21 757816587 LCUFACOQPDCASL-KRWDZBQOSA-N 431.286 4.463 5 20 IIBD C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 759112128 XBPMNYZLTSFOJG-SCLBCKFNSA-N 425.407 4.044 5 20 IIBD Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 759672756 DYIILHQHCHRWRD-GOSISDBHSA-N 433.940 4.498 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(-c2nc([C@@H]3CCCS3)no2)cc1 762230291 FMABZGAIILYPLP-INIZCTEOSA-N 447.494 4.289 5 20 IIBD O=[N+]([O-])c1ccc(/C=C/c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)cc1 762259742 CGRAPVSMZBPAET-FPYGCLRLSA-N 431.202 4.410 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)c1noc(COc2ccc([N+](=O)[O-])c(F)c2)n1 762383459 APJWMURSJAILGD-INIZCTEOSA-N 438.209 4.194 5 20 IIBD C[C@@H]1CN(C(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)CCS(=O)(=O)C1 762659326 QPOCFPFTIZDOJR-QGZVFWFLSA-N 447.556 4.440 5 20 IIBD O=C(Nc1ccccc1)[C@@H]1CCc2ccccc2N1C(=O)c1cc(F)c([N+](=O)[O-])cc1F 763444975 DISZUPOPQYHVQH-FQEVSTJZSA-N 437.402 4.473 5 20 IIBD CCC(=O)c1ccc(OS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c(F)c1 765220407 BGUDZSCPGJGKHC-UHFFFAOYSA-N 446.250 4.165 5 20 IIBD O=C(OCc1csc(-c2ccc3c(c2)OCO3)n1)c1ccc([N+](=O)[O-])c2cccnc12 766234793 YNUFGDKUQQXALX-UHFFFAOYSA-N 435.417 4.352 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 769119749 DVBDKMWYVNTBQB-CQSZACIVSA-N 428.327 4.094 5 20 IIBD Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)cc2)co1 769636570 YGOGDFLXQUIHDW-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD CC(C)(C)c1nc(CN2CCN(C(=O)Nc3ccc([N+](=O)[O-])c(Cl)c3)CC2)cs1 770006511 BZKAWJTWAQXESE-UHFFFAOYSA-N 437.953 4.352 5 20 IIBD COc1ccc(-c2ccc(CN3CCOC[C@@H]3C[C@@H](O)c3cccs3)o2)c([N+](=O)[O-])c1 770302715 SBLFOPDZQOJOER-MGPUTAFESA-N 444.509 4.249 5 20 IIBD O=C1N[C@@H](c2cc(F)ccc2F)C(=O)N1c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 772054674 STNZIYPCBXILSX-IBGZPJMESA-N 425.347 4.463 5 20 IIBD COc1cc([C@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1S(=O)(=O)C(F)F 773049438 RQEIOUBRYGPDSS-STQMWFEESA-N 428.457 4.320 5 20 IIBD Cc1nc(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])sc1Cc1ccc(F)cc1F 773547105 SUTAJSJUYFESIJ-UHFFFAOYSA-N 447.419 4.059 5 20 IIBD CC(C)CN(C(=O)CCCn1ccccc1=O)c1nc(-c2ccccc2[N+](=O)[O-])cs1 775496685 UKSBKZDOWRQOHA-UHFFFAOYSA-N 440.525 4.349 5 20 IIBD O=C(NCc1ccccc1)c1cccc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c1 778057585 YFGDCRVAVOQUCC-UHFFFAOYSA-N 425.391 4.255 5 20 IIBD Cc1ccccc1-n1nc(C)c(CN(C)C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c1C 778244355 CQWKXRBCKOXPNU-UHFFFAOYSA-N 428.439 4.456 5 20 IIBD CN(Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])c2nsnc2c1)C(=O)OC(C)(C)C 778250255 XYMPAYMYXGSDEP-UHFFFAOYSA-N 443.485 4.219 5 20 IIBD COc1cc(OC)c(N[C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1Br 779056611 GKNYCSLJZDTFJK-LLVKDONJSA-N 438.278 4.204 5 20 IIBD COc1cccc([C@H](OC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c2ccncc2)c1 782459696 XLFIEZJRSJUFNO-JOCHJYFZSA-N 430.420 4.131 5 20 IIBD C[C@H]1C[C@@H](C(=O)Oc2ccc(Cl)cc2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CO1 784124230 ZJCIDSVDLLANKL-WDEREUQCSA-N 439.251 4.484 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@@H](C3(C)OCCO3)C2)c([N+](=O)[O-])c1 784573542 VPRGOJYGSLAZAY-KNQAVFIVSA-N 439.512 4.058 5 20 IIBD O=C(c1cc2ccccc2s1)N1CCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 788380844 FBCUDZIFXYUSNP-UHFFFAOYSA-N 447.520 4.089 5 20 IIBD COC(=O)c1ccc(CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)c(Br)c1 789432423 HGSAKUNOQRJNCE-UHFFFAOYSA-N 436.262 4.082 5 20 IIBD C[C@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@H](O)c1c(Cl)cccc1Cl 790919288 LZNKZBBWVJUBLA-QPFGOUBPSA-N 435.666 4.475 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(=O)c1c[nH]c3cc([N+](=O)[O-])ccc13)CC2 791039589 UJCJRNDNTWDCTA-UHFFFAOYSA-N 442.516 4.329 5 20 IIBD C[C@H](N[C@@H]1[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 796646664 CCEOCBHEZKVLPU-YRBFXIGRSA-N 445.520 4.329 5 20 IIBD Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)cc1 797512837 SUQVQHDDEWWDQW-IBGZPJMESA-N 441.440 4.354 5 20 IIBD CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 801929257 QUPIXDABQBTUDT-UHFFFAOYSA-N 443.511 4.056 5 20 IIBD O=C(OCc1nc2cc(Br)ccc2o1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 803414340 WIYKERUGMFVUJA-UHFFFAOYSA-N 443.213 4.041 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 804364769 WPPLVBZWDXVBSU-GOSISDBHSA-N 428.338 4.279 5 20 IIBD CC(C)(C)OC(=O)NCCc1ccc(CNc2ncnc3sc([N+](=O)[O-])cc23)cc1 804405094 HFNUFCKVKYCUEV-UHFFFAOYSA-N 429.502 4.279 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N(Cc1ccccc1)C[C@H](O)c1ccccc1 804405992 HEJBQNWXNQNCBO-DEOSSOPVSA-N 442.475 4.157 5 20 IIBD CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)NCc3ccc([N+](=O)[O-])cc3)cccc21 806482224 OFMOVHWYWDWQQU-UHFFFAOYSA-N 440.500 4.282 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(Oc2cccnc2)cc1 807898849 KWQDRPOVPKQHDT-KRWDZBQOSA-N 448.479 4.110 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCC(c3ccc(O)cc3)CC2)c(Cl)cc1Cl 809818895 RBSCAGMPIOXDAL-UHFFFAOYSA-N 431.297 4.176 5 20 IIBD C[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)[C@H](c2ccccc2)CO1 809822932 WMYFODWUKWZGIV-ZBEGNZNMSA-N 431.297 4.052 5 20 IIBD O=[N+]([O-])c1cc(OS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)ccc1Cl 809847553 RZPCZFSRUZCWSX-UHFFFAOYSA-N 427.605 4.231 5 20 IIBD C[C@H]1CCCN(C(=O)C2CCN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC2)C1 813409309 QZKPTOYFQVIUEU-LBPRGKRZSA-N 428.316 4.012 5 20 IIBD O=C(OCc1cc(F)ccc1[N+](=O)[O-])C1CCN(c2noc3ccc(Cl)cc23)CC1 815372542 PIUXSSRQCDOFEV-UHFFFAOYSA-N 433.823 4.488 5 20 IIBD CN(C)c1cc(F)c(C(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)cc1[N+](=O)[O-] 821676456 WHLRJUJGMFMNGQ-UHFFFAOYSA-N 437.353 4.257 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C(=O)NC2CCCCCC2)C(C)C)cc1OC 878103848 RRUNXMWJXWZXER-HXUWFJFHSA-N 436.505 4.023 5 20 IIBD CC(C)[C@@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)N1C[C@H](C)C[C@@H](C)C1 878472593 LLCQTNOVSLDCNK-LJKQEARRSA-N 448.563 4.227 5 20 IIBD CCOc1cc([N+](=O)[O-])c(-c2nc(C3(NC(=O)OC(C)(C)C)CCCC3)no2)cc1OC 904419626 IUTVPZRCRHJYKQ-UHFFFAOYSA-N 448.476 4.346 5 20 IIBD COc1ccc(/C=C\C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1OC 909918644 PZYWTBBQFXYJQK-QPEQYQDCSA-N 448.431 4.483 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cc2c(OC(F)F)cccc2[nH]1 914901369 WUNSPCWYFGJWIL-UHFFFAOYSA-N 430.323 4.085 5 20 IIBD C[C@@H](OC(=O)c1nc(-c2ccccc2)n2c1CCCCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 914916715 ZUBPKZDAVYDUJH-MRXNPFEDSA-N 448.479 4.369 5 20 IIBD Cc1noc(C)c1CN(C)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 915068763 OFSCMNKNOTUSRK-UHFFFAOYSA-N 445.479 4.253 5 20 IIBD CC(C)c1noc2nc(C3CC3)cc(C(=O)O[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)c12 915578347 QIABXQCQGYPUOC-GFCCVEGCSA-N 438.440 4.316 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 917802997 FLWWVHQPBDPFLF-GUIXVQPWSA-N 428.448 4.290 5 20 IIBD C[C@@H](OC(=O)Cn1ccc([N+](=O)[O-])n1)c1nc2cc(Cl)ccc2n1Cc1ccccc1 919379610 JLLPKKVJGBHBCE-CQSZACIVSA-N 439.859 4.147 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@H](C)Oc1ccc(C(C)C)c(C)c1 919406371 BNBBPOZNRSVPMF-HOTGVXAUSA-N 444.484 4.373 5 20 IIBD CCCN(Cc1nc(O)c2sccc2n1)C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 1115823384 AUVDPDGVXCJEKR-GFCCVEGCSA-N 432.527 4.225 5 20 IIBD CC(C)(C)OC(=O)NCc1ccccc1CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 1321014468 CWUUTQRTPAOEFZ-MOPGFXCFSA-N 429.521 4.090 5 20 IIBD COc1cccc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c1Br 1321284842 MGWOMQXBOSIDHD-UHFFFAOYSA-N 429.654 4.427 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)n1 1321296678 DDJVRVJZCHCVSY-SFHVURJKSA-N 430.486 4.225 5 20 IIBD CC(F)(F)C(=O)Nc1ccc(C2(NC(=O)CCc3cccc([N+](=O)[O-])c3)CCC2)cc1 1787929838 LUZFCCOROGNHEV-UHFFFAOYSA-N 431.439 4.317 5 20 IIBD Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2CC=CCC2)C3)cc(Cl)cc1[N+](=O)[O-] 1800713436 XZOJZOMHWPKWBO-NRSFXHEJSA-N 431.920 4.165 5 20 IIBD C/C=C(\C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])[nH]n1 1821888740 ZHODJNSGUMCDIP-DQNSSFAQSA-N 445.907 4.172 5 20 IIBD O=C(CCCC(F)(F)F)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823610196 BCMWJVGFGQVYQZ-HNNXBMFYSA-N 445.438 4.154 5 20 IIBD C[C@H](OC(=O)COc1ccccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 10362986 KNERLSSNXNSZBG-JTQLQIEISA-N 446.765 4.216 5 20 IIBD Cc1nc2cc(C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)ccc2n1-c1ccccc1 10992703 QXYXKGNUSMRBHW-UHFFFAOYSA-N 430.420 4.038 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1C1CC1 17769395 JGMDLZZORYHEOQ-NSHDSACASA-N 444.542 4.326 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Sc2nc3cc4ccccc4cc3c(=O)n2C)cc1OC 18591135 FNNWSQSXCWXUMN-CQSZACIVSA-N 449.532 4.223 5 20 IIBD CCOc1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2C(C)C)c([N+](=O)[O-])cc1OC 18613516 HPZRXCXENPGNTD-CQSZACIVSA-N 430.457 4.310 5 20 IIBD C[C@H](Sc1nnc(-c2ccncc2)n1-c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 28606422 VVXDBJWQELNTKO-HNNXBMFYSA-N 446.492 4.357 5 20 IIBD COc1ccc(CS(=O)(=O)Cc2ccc(Br)cc2Cl)cc1[N+](=O)[O-] 64694126 MWXTVRGCZVVEEQ-UHFFFAOYSA-N 434.695 4.134 5 20 IIBD O=C(NCc1ccc(N2CCCCCC2)nc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 65103054 XKVBAENNYLTWEF-UHFFFAOYSA-N 437.525 4.424 5 20 IIBD CC[C@H](c1ccc(F)cc1F)N1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 301421394 CGNHTFUXMOPMOV-LJQANCHMSA-N 446.454 4.103 5 20 IIBD CCc1ccc([C@@H](Nc2ncc(C)cc2[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 301434544 JWZLNUMJNDTELF-OAQYLSRUSA-N 425.510 4.466 5 20 IIBD Cc1ccc(CNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(N2CCCC2)n1 302053725 PKWGCXCEUOCWAW-UHFFFAOYSA-N 425.367 4.438 5 20 IIBD CCc1cc(N2CCC(O)(c3c(F)cccc3F)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 302381418 GTRYJWHDRBJFCJ-UHFFFAOYSA-N 440.450 4.380 5 20 IIBD O=C(N[C@@H]1CCc2c(Br)cccc21)c1cc(O)nc2ccc([N+](=O)[O-])cc12 303423785 ADLRAPJRLFHZHJ-MRXNPFEDSA-N 428.242 4.028 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNCc2cn3ccsc3n2)cc1 409576053 MFPSJVIWFFKUCP-UHFFFAOYSA-N 430.493 4.447 5 20 IIBD O=C(Nc1ccc(Cl)c(N2CCNC2=O)c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 410156548 SRKUVBREGMAXPX-UHFFFAOYSA-N 443.872 4.154 5 20 IIBD COc1ccccc1C[C@H](C)N(C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 426257615 QOMVUXSSUYJFSN-ZDUSSCGKSA-N 425.407 4.395 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC(CCCN2CCCC2)CC1 426275039 DYWRJJGVAWSXTK-UHFFFAOYSA-N 442.482 4.411 5 20 IIBD O=C(c1ccn(-c2cccc(Br)c2)n1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 427570145 DTRVXUPBJOCCJQ-UHFFFAOYSA-N 441.285 4.348 5 20 IIBD Cc1cc(N2C(=O)c3ccccc3C2=O)ccc1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 429823711 JKPVNUPISGBZRA-HNNXBMFYSA-N 429.432 4.195 5 20 IIBD O=C(NCc1csc(CCc2ccccc2)n1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 434564809 HINBHJCQPSDFNE-UHFFFAOYSA-N 436.537 4.367 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 435355439 ULEUAQAHPPQLOC-CYBMUJFWSA-N 438.431 4.431 5 20 IIBD Cc1nc(-c2ccc(Br)cc2)c(NC(=O)c2cc([N+](=O)[O-])ccc2O)n1C 436698406 MFTRPXNRVPQHAA-UHFFFAOYSA-N 431.246 4.024 5 20 IIBD O=C(Nc1ccc2nc(C3CC3)sc2c1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 437053911 WRKPEDPHHRJOFD-UHFFFAOYSA-N 436.493 4.212 5 20 IIBD O=C(Nc1cccc(C(=O)N2CCSCC2)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437141061 BAEZPBORFHRCOZ-UHFFFAOYSA-N 439.415 4.055 5 20 IIBD O=C(N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 437392597 ISULLDXAWZMWSO-JCNLHEQBSA-N 430.386 4.475 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N(C)C[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] 439243465 CIQGVLHCKQQWDM-GFCCVEGCSA-N 427.320 4.090 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1 442449536 CTZLOQVXKPPZMM-LJQANCHMSA-N 449.467 4.036 5 20 IIBD CCOC(=O)c1cc2cc(NC(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)ccc2s1 444864372 WDIZYUZJNPTPAO-UHFFFAOYSA-N 439.453 4.184 5 20 IIBD COc1ccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c(C(F)(F)F)c1 446152828 WRKKTUAWPHSJLG-UHFFFAOYSA-N 447.207 4.244 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(Br)c(Cl)c2)cc1[N+](=O)[O-] 446808216 JVEDLXBHDGRVOT-SNVBAGLBSA-N 440.681 4.135 5 20 IIBD CC(C)CN1CCC[C@@H](CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 448426881 VMZHUCDFSKCOLP-OALUTQOASA-N 439.560 4.261 5 20 IIBD O=C(c1cc(C(=O)N2CCc3c(F)cccc32)cc([N+](=O)[O-])c1)N1CCc2c(F)cccc21 461300189 MCZJGSMQBHBYKV-UHFFFAOYSA-N 449.413 4.279 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 465589935 CRNQBXSUJCSTQQ-NRFANRHFSA-N 447.470 4.367 5 20 IIBD CCCOc1cc(NC(=O)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c([N+](=O)[O-])cc1OCCC 466141354 NCYXZZGIPVOTIY-VHKYSDTDSA-N 435.521 4.498 5 20 IIBD O=c1oc2cc([N+](=O)[O-])ccc2n1CCCc1nc(-c2ccc(N3CCCCC3)cc2)no1 467252881 BFIOVCQGVXOFRF-UHFFFAOYSA-N 449.467 4.176 5 20 IIBD Cc1coc(-c2cccc(NS(=O)(=O)c3cc(Br)cc([N+](=O)[O-])c3)c2)n1 467929937 AMFQUVVDNXDKRT-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD C[C@@H](C[S@](C)=O)N(C)C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 468292342 SRLWLJOVNJJWHV-AOAWJKDVSA-N 449.579 4.195 5 20 IIBD CCOc1c(Cl)cc(NC(=O)[C@@H](CC)Nc2c([N+](=O)[O-])c(C)nn2C)cc1Cl 468831915 DSZZBYJEWLGLGV-CYBMUJFWSA-N 430.292 4.171 5 20 IIBD COc1cc(C(=O)N(C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])c1OC 469527405 OHYWTQUABJMUND-NSHDSACASA-N 443.283 4.458 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 470138800 TXNBBYRUYXLHHU-ZDUSSCGKSA-N 429.383 4.335 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CCC(=Cc2ccc(F)c(F)c2)CC1 470589510 AJSQPUMRCRFLSO-UHFFFAOYSA-N 425.391 4.446 5 20 IIBD C[C@H]1CCCCN1CCC1CCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 478634343 VJLLANZRIYPLEM-SFHVURJKSA-N 439.560 4.112 5 20 IIBD Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 479636664 GAOAVBHOZLXIEE-GFCCVEGCSA-N 429.274 4.342 5 20 IIBD COc1cc(OCC(=O)N(C)Cc2ccc(Br)cc2Cl)ccc1[N+](=O)[O-] 481715068 WCCNXLQDNJWONN-UHFFFAOYSA-N 443.681 4.057 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc2cc(OC)ccc2c1 481988722 DGFLJIDHHUCJNT-UHFFFAOYSA-N 426.494 4.425 5 20 IIBD COc1ccc(/C=C/c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)cc1O 486058792 BKUKQYOYVWNANP-XVNBXDOJSA-N 432.230 4.216 5 20 IIBD O=[N+]([O-])c1ccccc1Cc1noc(C2CCN(c3ccc4cccc(O)c4n3)CC2)n1 486095124 UVWIKLQHNVPTDI-UHFFFAOYSA-N 431.452 4.206 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCC1CCN(Cc2cccs2)CC1 486390026 UNRLBFBEKSKXAV-UHFFFAOYSA-N 436.965 4.064 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCc1ccnc(Oc2ccccc2F)c1 486832433 FNDTYGFZLVODJU-UHFFFAOYSA-N 437.836 4.053 5 20 IIBD COc1ccc(C(=O)C2CCN(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 488365199 DKQKVCNLZNDXET-UHFFFAOYSA-N 445.903 4.104 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2cc(F)cc(F)c2)[nH]n1 490403493 XZFNDEPUUNXQCM-UHFFFAOYSA-N 434.424 4.254 5 20 IIBD O=C(Nc1ccc2nc(C(F)F)sc2c1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 490566510 KLLKFSTWTVORMX-UHFFFAOYSA-N 433.440 4.496 5 20 IIBD CCOc1cc(CN[C@@](C)(C(=O)OC)c2ccc(Cl)c(Cl)c2)ccc1[N+](=O)[O-] 492818685 PCVBVGHHSFPBFQ-LJQANCHMSA-N 427.284 4.478 5 20 IIBD CCN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@@H](c1cccnc1)c1ccc(F)c(F)c1 496500664 XPRRBCXDMXWLRO-JOCHJYFZSA-N 426.423 4.318 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H](c1cccc(F)c1)c1ccccn1 498887455 OTMAJKDQTUFONT-OAQYLSRUSA-N 429.835 4.457 5 20 IIBD Cn1cc(Br)c(=O)c(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c1 498993564 BZXXAQIAWROXOM-UHFFFAOYSA-N 443.257 4.052 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)c1 499952290 UNLWHVCTPFTYJY-UHFFFAOYSA-N 442.541 4.384 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCCC(=O)Nc2ccccc2)c([N+](=O)[O-])c1 500427100 XKEFOYLIDKLOLN-UHFFFAOYSA-N 447.447 4.053 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 501010635 LTVNFRYVZQDACR-QGZVFWFLSA-N 436.871 4.355 5 20 IIBD COc1cc(C(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)c([N+](=O)[O-])cc1OC(F)F 502315102 WPYCUGGLMALMIY-LLVKDONJSA-N 442.802 4.152 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 504001940 YRCASTJCKNDYBP-UHFFFAOYSA-N 437.836 4.053 5 20 IIBD Cc1ccc([C@@H](CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)N2CCCC2)o1 506379294 BKCHHHYXIOVVNX-GOSISDBHSA-N 426.498 4.187 5 20 IIBD Cn1cc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)c(-c2ccc3c(c2)OCCCO3)n1 507168034 ASOYQZBPDCIFQZ-UHFFFAOYSA-N 434.496 4.321 5 20 IIBD COc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 507314426 ADMLVYLHCBDHQL-UHFFFAOYSA-N 426.494 4.303 5 20 IIBD COc1ccc(CNc2cn(Cc3ccccc3)nn2)cc1OCc1ccc([N+](=O)[O-])cc1 508471591 NKSVZGBZSCOSAX-UHFFFAOYSA-N 445.479 4.434 5 20 IIBD COC(=O)[C@H](NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1)c1cccs1 509150804 HYVYXIIPVRJXAW-OAHLLOKOSA-N 449.535 4.217 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NC[C@@H](CO)C2CCCCC2)cc1[N+](=O)[O-])c1ccccn1 509808030 JTUMDTOQZOIUGX-APWZRJJASA-N 426.517 4.082 5 20 IIBD Cc1c(Br)cc(C(=O)NCc2cccc(NC(=O)C3CCC3)c2)cc1[N+](=O)[O-] 510058193 AITNSNRPBBJRSZ-UHFFFAOYSA-N 446.301 4.334 5 20 IIBD COc1cc(OC)cc(Oc2cccc(CNCc3cc(OC)c(O)cc3[N+](=O)[O-])c2)c1 512568874 KQTGCQHAOYDOHP-UHFFFAOYSA-N 440.452 4.408 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCOc3cccc(F)c3C2)cc1[N+](=O)[O-])c1ccccn1 513919199 VQSLPONLPWWIMC-OAHLLOKOSA-N 436.443 4.337 5 20 IIBD COc1ccc(NC(=O)CNc2cccc(OCc3cccc(F)c3)c2)c([N+](=O)[O-])c1 515660859 LBTYZIXJCJHNRX-UHFFFAOYSA-N 425.416 4.372 5 20 IIBD C[C@H](N[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1)c1cccc([N+](=O)[O-])c1 515717382 GORNZRACHBESHU-QMHKHESXSA-N 433.464 4.032 5 20 IIBD CCN(CC)S(=O)(=O)c1cccc(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)c1 517645251 FJZGZIQLQXNIAE-UHFFFAOYSA-N 445.541 4.215 5 20 IIBD CN(C)[C@H](CN[C@H](c1cccc([N+](=O)[O-])c1)c1nccn1C)c1cccc(C(F)(F)F)c1 519197294 CSSWMPLQPIMUSD-WOJBJXKFSA-N 447.461 4.329 5 20 IIBD CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)CNc1ccccc1[N+](=O)[O-] 521533901 PUOUYXMDSPKZLC-UHFFFAOYSA-N 439.299 4.191 5 20 IIBD O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 522861217 ZDSKVYIUYKVSPQ-CYBMUJFWSA-N 448.323 4.354 5 20 IIBD Cc1cc(OCc2ccccc2)ccc1NC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] 524223083 CAWRDTHKXFRVTC-UHFFFAOYSA-N 433.464 4.079 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(-c3nc(CC(=O)Nc4ccccc4)no3)cc2[N+](=O)[O-])C1 524639133 NZOYDFIRMHHXLF-HOTGVXAUSA-N 435.484 4.308 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 524950409 WFLUSHCVTOMQRE-UHFFFAOYSA-N 447.491 4.384 5 20 IIBD COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 525430423 CUHWLKQUECJGBY-INIZCTEOSA-N 433.302 4.142 5 20 IIBD COc1ccc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c(OCc2ccccc2)c1 527129058 UYVGKOHXNKGAER-UHFFFAOYSA-N 436.420 4.206 5 20 IIBD COc1cc(CN(C)[C@H](C)c2ccc([S@@](C)=O)cc2)c([N+](=O)[O-])cc1OC(F)F 530865819 IFKDTMYEAKCYPM-XETJZTBLSA-N 428.457 4.135 5 20 IIBD C[C@@H](N=c1c([N+](=O)[O-])c[nH]c2ccc(Br)cc12)c1ccc([S@](C)=O)cc1 533686793 SPMIJOLTFVTFGW-QYOLQKOISA-N 434.315 4.238 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C(C)(C)C)ccc1O 536236213 YGXMBAWOXYBXMC-KRWDZBQOSA-N 445.541 4.088 5 20 IIBD CCN(CCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1)CC1CC1 536590776 OUCRQCJHAGCJCN-UHFFFAOYSA-N 438.366 4.332 5 20 IIBD O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 537523558 RMZDZMMDCRPQLG-UHFFFAOYSA-N 444.451 4.152 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 537650040 YNBFBADVQIYBCS-UHFFFAOYSA-N 426.498 4.219 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2ccn(CC(=O)N(C)C)c2c1 540456689 OCTQQWOMUXMPNR-UHFFFAOYSA-N 440.525 4.391 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H](CO)c1ccc(C(F)(F)F)cc1 541455448 HQJAMJLINKDFGX-CYBMUJFWSA-N 434.823 4.209 5 20 IIBD C[C@H](O)[C@@H]1CCN(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)C1 542419065 RDSPTUWMRDABFH-GXTWGEPZSA-N 437.855 4.092 5 20 IIBD O=C(N[C@H]1CS(=O)(=O)c2ccccc21)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 542527412 HNRIHTLEXQUABH-SFHVURJKSA-N 446.550 4.136 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 542994413 FIFQZNRXNMCEDC-MRXNPFEDSA-N 446.328 4.429 5 20 IIBD O=c1c2ccccc2n(Cc2nc(-c3ccccc3N3CCOCC3)no2)c2ccccc12 545050322 XFVXSQPINSGDSJ-UHFFFAOYSA-N 438.487 4.090 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC(c2nc(COCC3CC3)no2)CC1 545069629 YQYZBEVWKZBPMY-UHFFFAOYSA-N 426.395 4.307 5 20 IIBD Cc1ccc(-c2noc([C@@H]3CC(=O)N(c4ccccc4Br)C3)n2)cc1[N+](=O)[O-] 546276603 KPXCOLFZFWECEX-CYBMUJFWSA-N 443.257 4.236 5 20 IIBD COc1cc(OCc2nc(-c3ccc(COCC(F)(F)F)cc3)no2)ccc1[N+](=O)[O-] 546311786 QZKLWWVJCVZKBO-UHFFFAOYSA-N 439.346 4.311 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)cc([N+](=O)[O-])c1C 548059901 FUBXPHOJNPZMSL-UHFFFAOYSA-N 445.541 4.417 5 20 IIBD Cc1c(C(=O)Nc2ccc3nc(C(F)F)sc3c2)nnn1-c1cccc([N+](=O)[O-])c1 553311240 RTTIGSMLRVXHDA-UHFFFAOYSA-N 430.396 4.284 5 20 IIBD O=C(NCC1CCN(Cc2cccs2)CC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 555618549 QVHIVVLDMZYYJG-UHFFFAOYSA-N 427.448 4.317 5 20 IIBD O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CCC[C@H]1/C=C\c1ccccc1 556526115 NPPVWXWRSMYXMP-JJEJIETFSA-N 444.285 4.000 5 20 IIBD O=C(N[C@@H]1CCN(c2ccccc2F)C1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 561597247 XHBZHYPVPUUKAN-OAHLLOKOSA-N 437.421 4.107 5 20 IIBD CCN(CC)C(=O)c1ccc(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc1Cl 563574102 NRYSMVLERZARNE-UHFFFAOYSA-N 446.891 4.157 5 20 IIBD Cc1n[nH]cc1C1CCN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 573511889 GFWYZLBNLSBBCB-INIZCTEOSA-N 434.500 4.214 5 20 IIBD C[C@H](C(=O)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn23)C1)c1cccc([N+](=O)[O-])c1 574229774 SWKRIBGKXRAMFH-ZFWWWQNUSA-N 447.417 4.166 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 578151306 BHNPPIROOXWSMC-UHFFFAOYSA-N 445.519 4.301 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)c1[N+](=O)[O-] 581996112 DWNHLIVQWPZKDF-KRWDZBQOSA-N 441.509 4.225 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)n2ccc(C(F)(F)F)cc2=O)c([N+](=O)[O-])c1 588831307 DNAZOJSJVJNUTH-IBGZPJMESA-N 431.370 4.312 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCCN(c3ccccc3Cl)CC2)cc1SC 588858897 IGNBDBZMVAHXFV-UHFFFAOYSA-N 435.933 4.331 5 20 IIBD CC(C)OCc1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)no1 589669708 AHNBFDKGKZESRZ-ZDUSSCGKSA-N 434.518 4.429 5 20 IIBD CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 603966493 APLXSRDIKSTLOK-DRFBCEGUSA-N 427.545 4.129 5 20 IIBD Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)CCNc1ccccc1[N+](=O)[O-] 603976962 NJLWALYOZXDGCS-IRXDYDNUSA-N 438.528 4.462 5 20 IIBD O=C(CN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1Cl 604276175 GPKGXBSOJPCOBW-IUCAKERBSA-N 433.736 4.249 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 604570440 UNCQCLOEEDARJG-UHFFFAOYSA-N 436.443 4.435 5 20 IIBD C[C@H](CC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1F 608845936 ZYTXZDGVZHFTJC-GFCCVEGCSA-N 449.485 4.156 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 609432960 KLUQYRJYHRMBST-UHFFFAOYSA-N 437.327 4.365 5 20 IIBD C[C@H](Nc1ccc(Cc2nnc3ccccn23)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 609543877 ZVHAZOROZPZZND-HNNXBMFYSA-N 441.451 4.451 5 20 IIBD C[C@@H](CN1CCN(c2ccccn2)CC1)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 609804960 FAOVSLWMMMYHPX-SFHVURJKSA-N 437.569 4.019 5 20 IIBD COc1ccc([C@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])c2ccccc2Cl)cc1 610078425 HQSPDJUCNDEYQP-NRFANRHFSA-N 425.872 4.235 5 20 IIBD O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 610223610 GCVJCZJHTJTDQU-SFHVURJKSA-N 436.295 4.464 5 20 IIBD O=[N+]([O-])c1ncccc1N1CCC(c2nc(-c3ccccc3Br)no2)CC1 617006365 ZTDDTKJNOWCRQZ-UHFFFAOYSA-N 430.262 4.186 5 20 IIBD C[C@@H](OC(=O)[C@@H](OC1CCCC1)c1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 727015365 CQHVMCAULQPAEO-VLIAUNLRSA-N 430.432 4.305 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 727223276 SMBZSIHYSGHMEO-UHFFFAOYSA-N 441.246 4.031 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2csc(-c3ccccc3C)n2)c([N+](=O)[O-])c1 727562357 UEIZVYCGEWMZSP-UHFFFAOYSA-N 441.465 4.221 5 20 IIBD O=C(COC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)Nc1ccc(F)c([N+](=O)[O-])c1 727926317 CMXFIBUJSVQLNR-NWDGAFQWSA-N 427.215 4.326 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc(Oc3ccccc3)c(N)c2)cccc1[N+](=O)[O-] 728635303 LLXDCBPJWGTBKH-OAHLLOKOSA-N 435.436 4.462 5 20 IIBD Cc1cc(O[C@H](C)C(=O)OC[C@@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])ccc1Cl 730703114 HOLYPTWLCVTGQD-CVEARBPZSA-N 446.887 4.172 5 20 IIBD C[C@H](OC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C(=O)c1ccc(F)cc1F 731709269 HZOMFJLSQIUTKD-VIFPVBQESA-N 433.285 4.242 5 20 IIBD O=C(OCc1ccc(C(F)(F)F)cc1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 732497476 QTBYYLDRTCZFML-CYBMUJFWSA-N 428.388 4.023 5 20 IIBD COc1ccc(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1Br 732819384 WDNUXAIRRKISKI-SECBINFHSA-N 428.670 4.458 5 20 IIBD C[C@H](OC(=O)c1ccoc1CN1c2ccccc2C[C@@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] 732840893 KMHPUYYIKTWYJE-HOTGVXAUSA-N 449.463 4.323 5 20 IIBD O=C(OCc1ccc2ncccc2c1)c1cc([N+](=O)[O-])ccc1I 733694881 XOIVRMCLNLCIHZ-UHFFFAOYSA-N 434.189 4.105 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCc2c1cccc2[N+](=O)[O-] 737582412 POXUNFPAAKEFBS-UHFFFAOYSA-N 427.360 4.203 5 20 IIBD O=C(COC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(OC(F)F)c1 738636187 ODDRFHPVODJIEK-UHFFFAOYSA-N 434.376 4.359 5 20 IIBD Cc1ccc2cccc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4C(F)(F)F)CC3)c2n1 741185191 SWATWDKDQOUWAR-UHFFFAOYSA-N 444.413 4.433 5 20 IIBD CCCCc1nnc(S[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)n1N 742454880 PPOMCJZKCXUUEH-LJQANCHMSA-N 440.529 4.023 5 20 IIBD Cn1cc(C(=O)OCc2ccccc2NC(=O)c2ccco2)c(-c2ccc([N+](=O)[O-])cc2)n1 744251200 HMFXCUGQMMWYFT-UHFFFAOYSA-N 446.419 4.198 5 20 IIBD CCc1nc(C)c(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)s1 747706353 XMPLDSJHQQTAAG-MRXNPFEDSA-N 431.514 4.164 5 20 IIBD COc1cc(COC(=O)C[C@H](O)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC(F)F 750369947 KIGFOYTZASVCAU-AWEZNQCLSA-N 431.775 4.025 5 20 IIBD CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Br)c1 751089276 LHBBOKYSVOUFEQ-GFCCVEGCSA-N 434.290 4.272 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] 752416492 JHKLSVRXJPOXSA-VQIMIIECSA-N 427.501 4.216 5 20 IIBD Cc1sc(NC(=O)c2scnc2Br)nc1-c1cccc([N+](=O)[O-])c1 754158083 PHBLRFZAHNIOEB-UHFFFAOYSA-N 425.289 4.498 5 20 IIBD COc1ccc2cccc(CC(=O)O[C@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c2c1 754306553 NQQYHGKPAUPIGT-CYBMUJFWSA-N 426.400 4.009 5 20 IIBD Cn1ncnc1COC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 754486884 ZFEIIMLVKIQVLC-UHFFFAOYSA-N 438.387 4.250 5 20 IIBD O=C(NCc1ccc(O)c(Br)c1)Nc1ccc(Br)c([N+](=O)[O-])c1 755028132 KPXMANGVOBQJON-UHFFFAOYSA-N 445.067 4.147 5 20 IIBD CCOc1cc(COC(=O)C2(S(=O)(=O)c3ccc(C)cc3)CCCC2)ccc1[N+](=O)[O-] 755544118 JCOIGPFNVGIZGT-UHFFFAOYSA-N 447.509 4.132 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCCCC[C@H]1C[C@H](O)c1ccccc1 755985391 ZALIWECNBJAFGZ-UGKGYDQZSA-N 439.512 4.261 5 20 IIBD COc1ccc(CN(C)C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc1OC(F)F 756966586 BGRKRHHWRDMDCU-UHFFFAOYSA-N 429.807 4.200 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2c(C)nn(CC(C)C)c2Cl)cc1[N+](=O)[O-] 759806420 UPJWLNBPMOYZKQ-MRXNPFEDSA-N 440.953 4.243 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)O[C@@H]2CCc3c(Cl)cc(Cl)cc32)cc1[N+](=O)[O-] 759915837 HFPUJFQAHHWYCJ-OAHLLOKOSA-N 430.265 4.149 5 20 IIBD CCOc1c(Cl)cc(-c2noc(Cn3ncc4ccc([N+](=O)[O-])cc43)n2)cc1OC 761383029 SQHHWIMOXVUHIO-UHFFFAOYSA-N 429.820 4.104 5 20 IIBD O=C(OCc1nc(O)c2ccc(C(F)(F)F)cc2n1)c1c[nH]c2cc([N+](=O)[O-])ccc12 762728694 NQCWKYOFIJBDDY-UHFFFAOYSA-N 432.314 4.101 5 20 IIBD C[C@H](C(=O)OCC(=O)Nc1ccc(N2CCCCCC2)cc1)c1cccc([N+](=O)[O-])c1 763404488 QAQMDTNNMSYZAB-KRWDZBQOSA-N 425.485 4.261 5 20 IIBD C[C@H](OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(=O)Nc1cccc(Cl)c1Cl 763867687 AXLXBEZLTBBJQH-NSHDSACASA-N 449.250 4.271 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)cc1 764061088 BMVNZDDREWDYIX-IYBDPMFKSA-N 445.541 4.199 5 20 IIBD Cc1nc(-c2ccccc2)ncc1C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 767624233 OHGHEBHVVCRVOK-AWEZNQCLSA-N 431.408 4.328 5 20 IIBD O=C(CCCc1nc(O)c2ccccc2n1)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776137478 JHFRUJJLYPAINI-HSZRJFAPSA-N 444.447 4.294 5 20 IIBD Cc1cc(C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)nn1[C@@H](C)C1CC1 776744088 QNKWFWYHRPPZMG-HNNXBMFYSA-N 438.488 4.172 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1cc(-c2ccccc2)on1 783560957 MLCAGSQIVADVSH-UHFFFAOYSA-N 433.424 4.351 5 20 IIBD COCc1nc(OC)cc(Oc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)n1 785714954 IYTUBYLOJLNVKG-UHFFFAOYSA-N 435.392 4.106 5 20 IIBD O=C(CNc1ccccc1[N+](=O)[O-])N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 787665610 OCOVADXTGFAFMC-UHFFFAOYSA-N 431.492 4.184 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1 787788598 NRICTZZNYXSPMW-UHFFFAOYSA-N 439.512 4.299 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CC[C@@]4(C)[C@@H](C3)C4(Cl)Cl)cc2[N+](=O)[O-])CC1 791191850 HJIVCPAIRHUHLV-MJGOQNOKSA-N 426.344 4.487 5 20 IIBD CC1CCN([C@@H](CNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)c2cccs2)CC1 791197547 RKLCOCDMMUYJOA-IBGZPJMESA-N 434.537 4.064 5 20 IIBD CCOc1cc(Br)c(F)cc1NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F 794197951 ABDZGLLQEYINOX-UHFFFAOYSA-N 444.232 4.353 5 20 IIBD C[C@@H]1C[C@H](c2ccccc2)CN1CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O 795429932 VVHNFWDNNUQLOA-HIFRSBDPSA-N 430.302 4.149 5 20 IIBD Cc1nn(C(C)C)c(C)c1CC(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 796742557 BQCWOQUZTAFAIX-UHFFFAOYSA-N 436.468 4.389 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 798783662 JNAMDKJCQLTVAC-VXGBXAGGSA-N 440.374 4.296 5 20 IIBD CC(C)(C)OC(=O)NCC[C@@H]1CCCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 799582954 SDYWSMLKDQPJTL-KRWDZBQOSA-N 429.521 4.043 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 801870522 YWBBHVVRRCBZCV-GFCCVEGCSA-N 445.838 4.039 5 20 IIBD COC(=O)[C@H](C)OC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 807616022 MDKHKKJCGKEGCY-JMRXEAOASA-N 426.450 4.240 5 20 IIBD CCOc1ccc(C(=O)N2CCCC[C@@H]2COC(=O)NC2CCCCC2)cc1[N+](=O)[O-] 809271202 YKVJQENCXVNJQU-GOSISDBHSA-N 433.505 4.047 5 20 IIBD COc1ccc(CN(C2CC2)S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)cc1 809388772 YVJYNSZMHCVKBF-UHFFFAOYSA-N 431.297 4.264 5 20 IIBD COc1ccc(-c2nnc(SCc3cc(Cl)cc(Cl)c3[N+](=O)[O-])n2N)cc1 809948830 OHDQTYQVVNZKLO-UHFFFAOYSA-N 426.285 4.175 5 20 IIBD CC[C@@H](CN(CC)C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 810399312 PUXLYVXMWKTFHP-AWEZNQCLSA-N 448.317 4.338 5 20 IIBD C[C@@H]1CCCN(C(=O)C2CCN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC2)C1 813409308 QZKPTOYFQVIUEU-GFCCVEGCSA-N 428.316 4.012 5 20 IIBD CN(Cc1c(F)cccc1Cl)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 815511468 KXFGKRQOWRIBIF-UHFFFAOYSA-N 448.756 4.222 5 20 IIBD CCc1cc(C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)n[nH]1 914954618 DKEIHRZANOYKDA-SFHVURJKSA-N 428.832 4.071 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(CCOc2ccccc2Cl)CC1 915307840 YCAVTTVVIDKNOH-UHFFFAOYSA-N 439.299 4.130 5 20 IIBD C[C@H](OC(=O)c1cccc(OCc2cccs2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 915464271 SBPVARHQQYJTLG-AWEZNQCLSA-N 426.450 4.419 5 20 IIBD CC(C)Oc1cccc(CNc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])c1 917085672 ZTIWJORUHMFNAM-UHFFFAOYSA-N 433.530 4.169 5 20 IIBD CC[C@@H](C)c1ccccc1OC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 919978577 FSTIDHGETOOCOW-SJORKVTESA-N 446.525 4.115 5 20 IIBD Cc1cc(N2C[C@H](c3nnc(-c4cccc([N+](=O)[O-])c4)o3)CC2=O)ccc1Br 1329060542 HVXJCSIUSKJOQW-CYBMUJFWSA-N 443.257 4.236 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccc(C2(NC(=O)c3ccccc3O)CCC2)cc1 1786206566 RZCHKVHZHVFZGK-ZRDIBKRKSA-N 447.447 4.355 5 20 IIBD O=C(CCOc1ccccc1)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1 1787676432 UQKPCVNDRWYKIB-UHFFFAOYSA-N 448.479 4.140 5 20 IIBD O=C(Cc1ccccc1)Nc1ccc(C2(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)CCC2)cc1 1787743476 LLMWYOKWHBAUAH-UHFFFAOYSA-N 445.475 4.291 5 20 IIBD CC(C)(F)C(=O)NC1(c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3F)cc2)CCC1 1791183407 IFWIGWOTGQOXOW-UHFFFAOYSA-N 431.439 4.159 5 20 IIBD C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1[N+](=O)[O-] 1804344605 JEDYJCPRZPURHZ-JGJBVQGFSA-N 447.535 4.125 5 20 IIBD CC[C@H](C)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)[nH]n1 1815045221 MKHYQOZYLYKIRT-UGSOOPFHSA-N 431.468 4.199 5 20 IIBD Cc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3CC3)CC2)cc(Cl)cc1[N+](=O)[O-] 1832527168 BGZWBJLCUSKKNI-LJQANCHMSA-N 433.936 4.200 5 20 IIBD C[C@@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 10634284 FNDZFNWLHYFDMO-LLVKDONJSA-N 435.358 4.208 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 18018143 AMPVRDHGPYNIBP-LBPRGKRZSA-N 429.429 4.350 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(I)cc1 23124715 MAQFBVBHOCTZRM-JTQLQIEISA-N 428.251 4.319 5 20 IIBD Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)Nc1ccccc1F 23988304 LYZDICNVBAMCPD-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD CCCCc1noc([C@@H](C)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 27770108 FKCJOUITCSOMRY-CYBMUJFWSA-N 427.427 4.222 5 20 IIBD Cc1cccc(Cn2nccc2NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c1 30527183 QCYNFQCBSNGQIQ-UHFFFAOYSA-N 444.495 4.262 5 20 IIBD CC(C)c1ccc(-c2cc(NC(=O)Cn3cnc([N+](=O)[O-])c3)n(-c3ccccc3)n2)cc1 31804694 ZWUNCJIRVKPGLZ-UHFFFAOYSA-N 430.468 4.406 5 20 IIBD O=C(Nc1ccc2ncccc2c1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 58329678 HJXXUNHMKSUCET-UHFFFAOYSA-N 448.460 4.196 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1CN1CCSCC1 61284748 ZRSHUINCHFFOLG-CQSZACIVSA-N 435.933 4.203 5 20 IIBD COC(=O)c1ccc(OC(C)C)c(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 63621414 WUBLQFQBDIVVFI-UHFFFAOYSA-N 444.487 4.367 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCCN(C(C)(C)C)CC2)cc1[N+](=O)[O-])c1ccccn1 63727748 IRJXCFJRAYLGSJ-QGZVFWFLSA-N 425.533 4.109 5 20 IIBD O=C(Nc1cc(Br)ccc1N1CCOCC1)c1ccc(Cl)cc1[N+](=O)[O-] 69565543 RLMZVBUFSVHEDX-UHFFFAOYSA-N 440.681 4.100 5 20 IIBD O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 195622961 YLJGJKUZKKBYBN-UHFFFAOYSA-N 428.452 4.233 5 20 IIBD CCOc1cc(CN[C@@H]2CCCc3occc32)ccc1OCCn1c([N+](=O)[O-])cnc1C 236890172 DMUTWVOWTGRBEN-LJQANCHMSA-N 440.500 4.338 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3[C@H](C)CCC[C@H]3C)cc2)cc1[N+](=O)[O-] 247999665 SACQPMVWORCSLF-HZPDHXFCSA-N 431.514 4.107 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCc1cc(Br)ccc1F 301238430 LGEWLRPBMAUPQF-UHFFFAOYSA-N 439.209 4.105 5 20 IIBD C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] 301294943 VFZBZHHQHOYWCQ-VIFPVBQESA-N 437.827 4.112 5 20 IIBD COc1cc(Br)c(CNc2ncc(Br)cc2[N+](=O)[O-])cc1OC 301700887 SJGLETHDPWYPKY-UHFFFAOYSA-N 447.083 4.144 5 20 IIBD C[C@H]1CCC[C@@H](C)CN1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 303919630 NZEGLEJWHFEITL-CVEARBPZSA-N 431.514 4.046 5 20 IIBD O=C(COc1ccc(Br)cc1[N+](=O)[O-])Nc1ccc(Br)cc1 303956128 XKFCUWYJOWIYAD-UHFFFAOYSA-N 430.052 4.137 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(S(=O)(=O)CC)c1 410209234 HIGQMLMLWGQWRU-UHFFFAOYSA-N 436.555 4.211 5 20 IIBD CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccc([N+](=O)[O-])cc1OC 427108239 PQTSIVZCHFWSNW-UHFFFAOYSA-N 440.283 4.401 5 20 IIBD CC(C)N1CCCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 428247207 JIQPPNANJMQUIU-NRFANRHFSA-N 430.936 4.344 5 20 IIBD CC[C@]1(O)CCN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C1 428741005 OGIQZFRMTBZWCQ-FQEVSTJZSA-N 429.523 4.343 5 20 IIBD O=C(NCc1ccc(COCC(F)(F)F)cc1)c1ccc(Br)cc1[N+](=O)[O-] 429942238 LLESJEKBPNLPJE-UHFFFAOYSA-N 447.207 4.366 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)C[C@H](O)Cc2ccccc2)c([N+](=O)[O-])c1 433067960 PPEOVDSJTPURCV-QPPBQGQZSA-N 433.508 4.118 5 20 IIBD CC(C)n1c([C@@H]2CCCN2c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])nc2ccccc21 433759963 QTFFUBFRMNMPQI-IBGZPJMESA-N 428.514 4.270 5 20 IIBD O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 435814878 ZKBOTZQICHYIKL-IBGZPJMESA-N 435.524 4.449 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCN(c2ccc(F)cc2)CC1 435820907 ZIVIYMXLFHCEHU-UHFFFAOYSA-N 437.421 4.061 5 20 IIBD Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 435823055 XWUVGOICNWJTLT-UHFFFAOYSA-N 449.457 4.287 5 20 IIBD Cc1csc(-c2cccc(NC(=O)C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)c2)n1 437036980 MLSLHKJWRKKJAB-UHFFFAOYSA-N 436.493 4.156 5 20 IIBD COc1cc(Oc2ccccc2)ccc1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 437913167 UUAKCXUDVXGSJC-UHFFFAOYSA-N 431.408 4.229 5 20 IIBD CC(C)(CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc2c(c1)OCCO2 438007880 FCETVHZZUQKSMW-UHFFFAOYSA-N 425.485 4.018 5 20 IIBD C[S@@](=O)C1(CNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CCC1 438136474 NGFUQKNPUWAJFI-MUUNZHRXSA-N 438.958 4.430 5 20 IIBD CCC(C)(C)C1CCC2(CC1)NC(=O)N(Cc1nc(-c3ccc([N+](=O)[O-])s3)no1)C2=O 445468861 FTIJRGURGPYZDN-UHFFFAOYSA-N 447.517 4.123 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CCSc2ccc(F)cc21 445753978 WCOJYAHJOQCHPX-OAHLLOKOSA-N 425.279 4.392 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1cc(F)ccc1Br 445998158 GSIDCKFCVXMQOG-UHFFFAOYSA-N 446.070 4.118 5 20 IIBD C[C@H](c1c(F)cccc1F)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 447015262 XBSUVGXBARZMBE-SECBINFHSA-N 435.246 4.017 5 20 IIBD C[C@H]1C[C@H](c2ccc(F)cc2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 447023557 NVNJBBZKEDOJDK-AAEUAGOBSA-N 432.395 4.319 5 20 IIBD CC(=O)c1ccc(N[C@@H](C)c2ccc(Br)cc2OCCCO)c([N+](=O)[O-])c1 461981088 CSDHPQHRQMHJHV-LBPRGKRZSA-N 437.290 4.494 5 20 IIBD COc1ccccc1[C@H]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 462330722 FVOBNDMGLAQTHZ-NSHDSACASA-N 431.297 4.088 5 20 IIBD O=C(NCc1cc(Br)cc2c1OCC2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 463263500 TUQWUEPLYIECBZ-UHFFFAOYSA-N 446.301 4.166 5 20 IIBD COc1cc(CN2C(=O)N[C@](C)(c3ccc(Cl)c(Cl)c3)C2=O)c([N+](=O)[O-])cc1F 463421598 LAJXZAALNJYJPQ-GOSISDBHSA-N 442.230 4.017 5 20 IIBD C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1I)Sc1ccccc1 464245763 PAYHKDGOCKVLRY-NSHDSACASA-N 442.278 4.110 5 20 IIBD C[C@H](C(=O)Nc1ccccc1Br)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464780889 YAEAZQYKAKOABQ-CQSZACIVSA-N 448.317 4.228 5 20 IIBD Cc1cc(=O)c(C(=O)N(c2ccc(F)cc2)C2CCCC2)nn1-c1ccccc1[N+](=O)[O-] 465486015 MFNZADVHHCPBAN-UHFFFAOYSA-N 436.443 4.178 5 20 IIBD O=C(NCc1ccnc2ccnn12)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 466271214 KRECGFKGGZLUQQ-UHFFFAOYSA-N 439.884 4.372 5 20 IIBD C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 468902847 KOZAHARDVMMZJU-LBPRGKRZSA-N 449.385 4.100 5 20 IIBD CCOc1ccccc1[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 470246550 GUJAEZHAEKGDTD-UZLBHIALSA-N 427.501 4.015 5 20 IIBD O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 473401271 AZGNUEGFRCGOJN-NRFANRHFSA-N 434.839 4.416 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 475637757 IBBUSQLNEQYJMY-HNNXBMFYSA-N 441.406 4.134 5 20 IIBD COc1ccccc1C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(C)C 477292082 ABXNGQYDXAMSCG-HXUWFJFHSA-N 425.529 4.203 5 20 IIBD Cc1ccc(NC(=O)C(=O)N2CC=C(c3ccccc3C(F)(F)F)CC2)cc1[N+](=O)[O-] 479145683 SJMRTWGFCDQQJF-UHFFFAOYSA-N 433.386 4.176 5 20 IIBD CCc1cc(N2CCC(NC(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)CC2)ncn1 480140671 LBKJQDYCAIUWKN-UHFFFAOYSA-N 447.495 4.138 5 20 IIBD Cc1ccc(-c2cc(CN3CCCN(c4nc5ccc([N+](=O)[O-])cc5[nH]4)CC3)on2)cc1 481208803 YPNWXWLUZUDOSC-UHFFFAOYSA-N 432.484 4.147 5 20 IIBD COc1ccc(CNC(=O)N[C@H](c2ccccc2OC(F)F)C(F)(F)F)cc1[N+](=O)[O-] 482389183 QPNLZWFMMMTKRP-OAHLLOKOSA-N 449.332 4.308 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H](c1ccccc1OC(F)F)C(F)(F)F 482404658 WPEPTTBARRQHML-OAHLLOKOSA-N 433.333 4.342 5 20 IIBD CN1C(=O)C[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1c1ccc(F)c(F)c1 482691630 LVCPIKWLOPCRLS-QUCCMNQESA-N 444.463 4.058 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 483302257 WZRILJSNQDRLHD-ZIAGYGMSSA-N 428.514 4.237 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1 484947088 OJZHEAGFKPWLNB-ROUUACIJSA-N 445.972 4.321 5 20 IIBD CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 485532565 NERQKJPQQJVTQU-UHFFFAOYSA-N 427.501 4.392 5 20 IIBD O=C(c1cnn(-c2cccc(Br)c2)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 486080407 YZWIDKFFTPZRGL-UHFFFAOYSA-N 441.285 4.348 5 20 IIBD O=C(Nc1ccc(Oc2cccc(F)c2F)nc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 487135615 WIJQLIZEXSTSON-UHFFFAOYSA-N 437.362 4.498 5 20 IIBD Cc1nc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)sc1Cc1c(F)cccc1F 487636783 YUTSBOWZNKRZTH-UHFFFAOYSA-N 447.419 4.252 5 20 IIBD O=C(NCCCNc1ccc(C(F)(F)F)cn1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 489847135 VFMZVSOUEUFJEY-UHFFFAOYSA-N 437.422 4.185 5 20 IIBD CN(Cc1cc(Br)ccc1Cl)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 494866939 WVKADBGGVZUODN-UHFFFAOYSA-N 441.665 4.054 5 20 IIBD C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cc([N+](=O)[O-])ccc1SCCO 497859243 FFGZIVNBVSBWMW-NSHDSACASA-N 429.325 4.347 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])c1cccc(NC(=O)c2ccc(Br)o2)c1 500788558 SKJQEUPHDAEGIG-UHFFFAOYSA-N 444.241 4.133 5 20 IIBD Cc1nn(CCC(=O)NCCc2ccc(Oc3ccc(F)cc3)cc2)c(C)c1[N+](=O)[O-] 501356306 IHZRUMQLJWVOBU-UHFFFAOYSA-N 426.448 4.089 5 20 IIBD O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 504950012 QDERSJKSJTYYSJ-UHFFFAOYSA-N 442.369 4.029 5 20 IIBD C[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-n2cccn2)c(F)c1 505329316 MFYHEHXIOVWLSA-CYBMUJFWSA-N 432.839 4.219 5 20 IIBD Cc1cc(N[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)ccc1C(N)=O 507572674 YNIHHDNBDBVDDI-FQEVSTJZSA-N 438.871 4.447 5 20 IIBD Cn1cnc(-c2ccc(Br)cc2)c1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 508411777 ZJGWJNOVPCTWCO-UHFFFAOYSA-N 440.257 4.491 5 20 IIBD O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 508913480 OTMLUXGTLAVXPP-GOSISDBHSA-N 437.887 4.264 5 20 IIBD O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 509347708 CLRJMUZJJNQXCL-UYZDIKGJSA-N 445.317 4.116 5 20 IIBD COc1cc(C)ccc1Oc1ccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cn1 509541138 LNGCWGXRWGAWRZ-UHFFFAOYSA-N 429.454 4.208 5 20 IIBD Cc1c(Br)cc(C(=O)NCc2ccc(NC(=O)NC(C)C)cc2)cc1[N+](=O)[O-] 510007455 YCFRBGCSCLRJNM-UHFFFAOYSA-N 449.305 4.126 5 20 IIBD CC[C@@H](NC(=O)c1cc(OC)c(OCCOC)cc1[N+](=O)[O-])c1ccc(Cl)s1 510758457 LRSZZSXYAQDEBM-GFCCVEGCSA-N 428.894 4.225 5 20 IIBD C[C@@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 511540949 NETQDIZCLJRLIQ-JTQLQIEISA-N 427.791 4.008 5 20 IIBD CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 512303059 PXYKKDRXVCSZOZ-OAHLLOKOSA-N 446.548 4.089 5 20 IIBD Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 512954465 HQPAAFKMEMQUIB-UHFFFAOYSA-N 426.904 4.425 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NC1CC(c2ccccc2)C1 513410924 NVRZANZJPKTMQA-UHFFFAOYSA-N 436.249 4.184 5 20 IIBD COc1cc(CNC[C@@]2(N(C)C)CCC[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F 518764531 RLHJPFSMUXTGDQ-IFXJQAMLSA-N 433.471 4.145 5 20 IIBD CCCOc1cc(NC(=O)N2CCC[C@@H](c3nc(C)no3)C2)c([N+](=O)[O-])cc1OCCC 519058270 VQXOFOFMVCQDFY-OAHLLOKOSA-N 447.492 4.275 5 20 IIBD COc1cc(CCNC(=O)N2C[C@@H](c3ccccc3C)C[C@H]2C)c([N+](=O)[O-])cc1OC 523470474 GBJQHGCNVMDMCC-AEFFLSMTSA-N 427.501 4.051 5 20 IIBD C[C@H](c1ccc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCOCC1 523949950 HEILCGASZGDSGR-OAHLLOKOSA-N 433.892 4.049 5 20 IIBD Cc1nn(CC(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)c(C)c1Cl 524023002 NGBRBPVRMFPGBL-UHFFFAOYSA-N 440.847 4.146 5 20 IIBD Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 524291075 XHHHAEWHRRCTON-UHFFFAOYSA-N 434.374 4.319 5 20 IIBD COc1cccc(Cl)c1-c1noc(C)c1C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 530288917 JZRUETVTMLHJAN-UHFFFAOYSA-N 427.844 4.419 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](c2ccccc2)C[C@H]1C 534215548 YOIBXYMJDBSEEF-NVXWUHKLSA-N 428.510 4.268 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 534950230 PSUFVAMPFBSOEI-CHWSQXEVSA-N 448.463 4.349 5 20 IIBD O=C(NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 535462757 DRVFQXFVVKXQGZ-LJQANCHMSA-N 444.491 4.117 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N(CCCO)Cc1ccc(Cl)c(Cl)c1 536179293 KEWDLMOBZNVGPH-UHFFFAOYSA-N 449.294 4.112 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 536731898 RXPGZUVEZAIDEI-UHFFFAOYSA-N 426.864 4.279 5 20 IIBD CN(C(=O)c1ccc2c(c1)NC(=O)CS2)c1nc(-c2ccccc2[N+](=O)[O-])cs1 538251987 ZSXHGFVOVCWNBV-UHFFFAOYSA-N 426.479 4.039 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(CC(F)(F)C(F)F)CC1 538574223 GGBJCFLIVRBOCD-UHFFFAOYSA-N 437.459 4.145 5 20 IIBD C[C@@H](CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Oc1cccc(Br)c1 540609949 FBEZVENMVCDIOG-AWEZNQCLSA-N 445.317 4.315 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC(N3CCCCC3=O)CC2)cc1OC 543841360 LKZDVQWASKFEDU-QGZVFWFLSA-N 433.549 4.005 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(COc4ccc(Br)cc4)n3)c2c1 545146062 VETIPOBPXLUFAO-UHFFFAOYSA-N 429.230 4.391 5 20 IIBD Cc1c(-c2nc(-c3ccccc3CN3CCCCC3)no2)nnn1-c1cccc([N+](=O)[O-])c1 545707826 MHHXBOJQLWFQDQ-UHFFFAOYSA-N 445.483 4.187 5 20 IIBD CSCc1nc2ccccc2n1Cc1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 545784001 IIAUHLFLMSZKIT-UHFFFAOYSA-N 434.481 4.311 5 20 IIBD CCN(CC1CCN(c2ccccn2)CC1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F 545829977 UAIALYRDIHXPFE-UHFFFAOYSA-N 428.508 4.172 5 20 IIBD O=C1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)[C@@H](C2CC2)N1 551333107 VAOLKLQNAMMQJJ-OXQOHEQNSA-N 445.928 4.186 5 20 IIBD CSc1cccc(C(=O)Nc2cc(C)cc(I)c2)c1[N+](=O)[O-] 553568905 RNUALRUIYHHSCE-UHFFFAOYSA-N 428.251 4.482 5 20 IIBD O=C(Nc1nc2c(Br)cccc2s1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 553745556 IBSZOSHGKNWPLM-UHFFFAOYSA-N 444.270 4.405 5 20 IIBD CC[C@@H](c1ccccc1)c1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C[C@H]1CCOC1 555483686 CEJXRFAYIRRGIZ-NQIIRXRSSA-N 435.528 4.401 5 20 IIBD Cn1ccnc1[C@@H](N[C@@H]1CCCN(c2ccccc2Cl)C1)c1ccc([N+](=O)[O-])cc1 556868505 WPZJOMUYPUPMHS-UTKZUKDTSA-N 425.920 4.330 5 20 IIBD CC(C)(C(=O)N1CCC[C@H](NC(=O)CCCc2ccccc2)C1)c1ccccc1[N+](=O)[O-] 556928102 ZFCDRKAJIVPJIT-FQEVSTJZSA-N 437.540 4.003 5 20 IIBD Cc1ccc(CC2CCN(C(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)CC2)cc1C 557296400 SRFHNXONZFEPJP-UHFFFAOYSA-N 437.540 4.143 5 20 IIBD NC(=O)c1ccc(Cc2noc(-c3ccccc3Sc3ccccc3[N+](=O)[O-])n2)cc1 572760529 PAFNWLQOJARKHF-UHFFFAOYSA-N 432.461 4.486 5 20 IIBD C[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(Br)cc1F 576309152 RAWZNGZGNVYAOZ-LLVKDONJSA-N 433.237 4.173 5 20 IIBD O=C(N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1cc([N+](=O)[O-])cc2c1OCCO2 576737856 QVAJOMGGHSRXEO-HNNXBMFYSA-N 448.300 4.001 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)c1oc2ccc(OC)cc2c1C 581756477 KTVQSFZTRGAEPW-CYBMUJFWSA-N 425.441 4.036 5 20 IIBD Cc1ccc(CC2CCN(C(=O)CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1C 581840839 FBBSBSFCQBTPCC-UHFFFAOYSA-N 443.931 4.076 5 20 IIBD O=C1CN(Cc2ccc(OCc3ccccc3)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2Cl)N1 602759560 NUZSIKYDYMQNBP-QHCPKHFHSA-N 437.883 4.458 5 20 IIBD C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1=O 603818783 UDMOWNUSBDPFDU-WMLDXEAASA-N 436.493 4.267 5 20 IIBD COc1cc(C(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)c([N+](=O)[O-])cc1OC 603982177 GSXBKWJHWLADRS-OAHLLOKOSA-N 437.452 4.077 5 20 IIBD COc1cc(CCNC(=O)c2cn(CC(C)C)c3ccccc23)c([N+](=O)[O-])cc1OC 604070746 ZEWNHMIKCNLGKN-UHFFFAOYSA-N 425.485 4.195 5 20 IIBD COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCc1ccc([N+](=O)[O-])cc1 604185061 VTVKDDHAIJHMDY-UHFFFAOYSA-N 428.448 4.386 5 20 IIBD O=C(Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1)c1cc([N+](=O)[O-])cc2c1OCCO2 608938106 TUTGMSIUWFHDIV-UHFFFAOYSA-N 434.383 4.301 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 608965128 QZLNHRLSCBXUFP-SFHVURJKSA-N 425.268 4.271 5 20 IIBD CC(C)N[C@H]1CCCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 609385585 BXEYYSQEYSAOBU-LAUBAEHRSA-N 430.936 4.390 5 20 IIBD O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 609456007 XVOWAZNEBCUMEJ-UHFFFAOYSA-N 442.431 4.029 5 20 IIBD CC[C@H]1CN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 609531609 YMNMNPZZUHIQLG-JTSKRJEESA-N 434.496 4.016 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)cc1[N+](=O)[O-] 609658177 STRAMRXOQISOCW-MUUNZHRXSA-N 430.507 4.012 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCn2cccc2[C@H]1c1ccccc1 610038044 YDRDDIHLGFNDMB-LJQANCHMSA-N 426.270 4.404 5 20 IIBD Cc1c(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)nnn1-c1ccc(OC(C)C)cc1 610046883 LRQDBEMVNPFNOE-UHFFFAOYSA-N 437.500 4.024 5 20 IIBD CS(=O)(=O)c1ccc(Oc2ccc(Nc3ncnc4ccc([N+](=O)[O-])cc34)cc2)cc1 611708204 ATPZTEHUFVGNGW-UHFFFAOYSA-N 436.449 4.477 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3cccs3)cs2)cc1OC 619564049 IZLDTKIOWLGQTJ-UHFFFAOYSA-N 435.483 4.066 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 727382749 NXNQYTRQMRLRPF-RDTXWAMCSA-N 432.521 4.077 5 20 IIBD O=C(c1cc2cc(F)ccc2[nH]1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727399824 YNVJHAGKNXKLJZ-UHFFFAOYSA-N 436.365 4.196 5 20 IIBD COc1ccc(-c2ccc(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)c(F)c2)c(F)c1 731586763 KYGYCWMRIMXESZ-UHFFFAOYSA-N 428.391 4.357 5 20 IIBD O=[N+]([O-])c1ccc(/C(O)=C(/C(=S)NC2CCCCC2)[n+]2cc(O)cc(Cl)c2)cc1 738011434 AZIQQJPSQYHEJR-UHFFFAOYSA-O 434.925 4.375 5 20 IIBD O=C(Nc1ccc(F)c(Cl)c1)C1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 738241617 GLELUGFIQXKLKD-UHFFFAOYSA-N 431.855 4.045 5 20 IIBD CCn1cc(N=c2scc(-c3ccc(C)c([N+](=O)[O-])c3)n2[C@@H](C)COCCOC)cn1 741839458 XWWSQJFIGMICNQ-INIZCTEOSA-N 445.545 4.106 5 20 IIBD C[C@H]1C[C@H](c2ccccc2F)N(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 742333072 SUPBPNZGELHPGK-APPDUMDISA-N 443.294 4.268 5 20 IIBD O=C(CSc1nc2ccccc2s1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 742873519 QDVLUHBBPWRHLK-UHFFFAOYSA-N 429.523 4.367 5 20 IIBD CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 742873973 YZQLJXZMIAKAKM-JOCHJYFZSA-N 435.521 4.048 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(F)cc2Br)c(C(F)(F)F)c1 746603235 MOKWGODJBQZPBY-UHFFFAOYSA-N 444.156 4.283 5 20 IIBD C[C@H](C(=O)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 747113379 IJPQOHPUCUDKJT-QMMMGPOBSA-N 437.688 4.164 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)[C@H](O)c1c(F)cccc1Cl 748391168 IZRPYEGPBZUBEC-XCLFUZPHSA-N 435.883 4.230 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1[C@@H]1NC(=S)NC(C)=C1C(=O)Nc1cccc(Cl)c1 748690298 WOHZJSFLJOYQCX-SFHVURJKSA-N 446.916 4.078 5 20 IIBD COCCONC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2 748770381 SEOUXYPIDRDJFB-BMRADRMJSA-N 433.464 4.328 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CCO[C@@H](c2ccc(F)cc2)C1 749409395 BDGVHFZWZKFNOH-OAHLLOKOSA-N 443.656 4.364 5 20 IIBD O=C(NC1CCN(Cc2coc(-c3ccccc3)n2)CC1)c1cccc(Cl)c1[N+](=O)[O-] 749943954 ANDMMEVSBVYYHM-UHFFFAOYSA-N 440.887 4.298 5 20 IIBD O=C(COC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2)Nc1cccc([N+](=O)[O-])c1 751266899 HXFBOZQBOMADRE-NFAYLAGKSA-N 426.391 4.225 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@@H](C[C@H]1CCOC1)c1ccccc1 753821460 IQDFGMRBPUZOPB-DYVFJYSZSA-N 426.441 4.171 5 20 IIBD C[C@@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(-n2cccn2)cc1 755031130 SRWUSWJSGGDTCL-GFCCVEGCSA-N 430.262 4.426 5 20 IIBD COc1ccc(S(=O)(=O)Oc2cc(C)ccc2NC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 755280507 OVNPOUNUGVKQOH-UHFFFAOYSA-N 438.458 4.027 5 20 IIBD C[C@@H](OC(=O)c1ccc(C(=O)Nc2ccccc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 758677424 ZYFJKQXZTPQHAM-OAHLLOKOSA-N 433.420 4.031 5 20 IIBD CCc1ccccc1N(C(C)=O)c1nc(COC(=O)c2cccc([N+](=O)[O-])c2N)cs1 758967853 XPDXBKWZPHYKIS-UHFFFAOYSA-N 440.481 4.238 5 20 IIBD COc1cc(C(=O)OCc2cnc(Cl)s2)c([N+](=O)[O-])cc1OCc1cscn1 760503344 KBZLZDOPYSIPKM-UHFFFAOYSA-N 441.874 4.106 5 20 IIBD Cn1c(C(=O)O[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)ccc1[N+](=O)[O-] 761049076 JOBWLGDVIVFOKH-SFHVURJKSA-N 447.369 4.489 5 20 IIBD O=[N+]([O-])c1ccc2cnn(Cc3nc(CCCc4ccccc4Br)no3)c2c1 762335273 WFKOREXWNBJZFQ-UHFFFAOYSA-N 442.273 4.314 5 20 IIBD CCOc1cc(NC(=O)NC[C@@H](O)c2ccc(Cl)c(F)c2)c([N+](=O)[O-])cc1OCC 762936406 WAQODQBRRNMLSC-MRXNPFEDSA-N 441.843 4.040 5 20 IIBD O=C(N[C@@H]1CC[C@H]2SCCS[C@H]12)c1cc(Br)cc([N+](=O)[O-])c1Cl 763180605 GRBRADDLFHXGPI-IRUJWGPZSA-N 437.768 4.120 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(=O)Nc1ccc(Br)cc1 763717686 QAULFRSAGHXYFC-VIFPVBQESA-N 427.638 4.195 5 20 IIBD Cc1nnc(S)n1-c1cccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 765354180 CBOMEHCNJSIUDJ-UHFFFAOYSA-N 438.494 4.148 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)CCCCCO[C@@H]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1C 766613349 NCIHTBQBMCVFQM-CRAIPNDOSA-N 440.562 4.172 5 20 IIBD CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(F)c([N+](=O)[O-])cc1F 770420539 ZVGSMSJPVFBVJN-UHFFFAOYSA-N 431.361 4.096 5 20 IIBD O=C(Cc1cccs1)Nc1ccccc1NC(=O)c1cc([N+](=O)[O-])c2nsnc2c1 771507855 CAEWCUCPDBJCSO-UHFFFAOYSA-N 439.478 4.095 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cn(-c3ccc(Br)cc3)cn1)CC2 773998192 UAWYWJJXBDPWHS-UHFFFAOYSA-N 427.258 4.054 5 20 IIBD Cc1ccc(S(=O)(=O)CCCOC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 774932047 DYPJRKAJYCYCFB-UHFFFAOYSA-N 446.506 4.048 5 20 IIBD C[C@H](N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(NC(=O)C2CC2)cc1 775100296 CKJKPNGCDXZZBC-QWHCGFSZSA-N 430.892 4.275 5 20 IIBD CCc1ccc(N2C[C@@H](C(=O)O[C@H](c3cccnc3)c3ccccc3[N+](=O)[O-])CC2=O)cc1 776130395 AHCCOVOUZBDSOC-YADARESESA-N 445.475 4.238 5 20 IIBD O=C(COc1ccccc1Br)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776219589 YEHNZSMCUJQQPG-FQEVSTJZSA-N 443.253 4.464 5 20 IIBD Cc1cc(C)c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1Br 777011031 HLFPQHJHMLOUFL-UHFFFAOYSA-N 434.290 4.063 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@@H](C)[C@H]2CCCN(C3CCC3)C2)CC1 781212574 YBFDWQZZGVNZIK-OALUTQOASA-N 428.577 4.214 5 20 IIBD COc1ccc(-c2nc(Cc3noc([C@@H]4CC(c5ccccc5[N+](=O)[O-])=NO4)n3)co2)cc1 781609753 MHKAKESSWVAKEF-IBGZPJMESA-N 447.407 4.098 5 20 IIBD C[C@H](OC(=O)c1cc(I)cc([N+](=O)[O-])c1)c1nc2ccccc2o1 781810729 CKJQPCMZKKMFAS-VIFPVBQESA-N 438.177 4.259 5 20 IIBD COc1cccc(NC(=O)C2=C(C)N(CC3CC3)C(=O)N[C@@H]2c2ccc([N+](=O)[O-])s2)c1 782248765 XZHVKVYJXWACTF-LJQANCHMSA-N 442.497 4.054 5 20 IIBD COc1ccc(-c2noc(COc3cc([N+](=O)[O-])ccc3Br)n2)c(OC)c1 786744503 SEZHSLOJNCFDQZ-UHFFFAOYSA-N 436.218 4.004 5 20 IIBD Cc1ccc(Br)c(OC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1F 791964451 PYNUGBCYIQJTAO-UHFFFAOYSA-N 427.182 4.251 5 20 IIBD Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 801891782 PYBLOUFTAJWRHY-UHFFFAOYSA-N 435.459 4.458 5 20 IIBD C[C@H](OC(=O)c1cccc(C(=O)Nc2ccccc2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 803910205 URNQPLOBCGRSHF-HNNXBMFYSA-N 433.420 4.031 5 20 IIBD COc1cc(C(=O)NCc2cccc3c2CCCN3C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] 805310197 WCTFIWLWANMAAV-UHFFFAOYSA-N 441.484 4.221 5 20 IIBD C[C@H](c1ccc(C(F)(F)F)cc1)c1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 809483747 IBDGUSLFGJPINQ-GFCCVEGCSA-N 434.374 4.007 5 20 IIBD Cc1nc2cc(C(=O)OCc3cc(I)cc([N+](=O)[O-])c3)ccc2o1 811036914 IDYATZIAGMRBHF-UHFFFAOYSA-N 438.177 4.006 5 20 IIBD C[C@H](OC(=O)c1ccnc(N2CCC[C@@H](C)C2)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 812653355 LXMOOKBYHBDDNQ-CABCVRRESA-N 437.456 4.194 5 20 IIBD COc1ccccc1C1=N/C(=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)C(=O)O1 912758665 PZWLVWFENMCJGJ-DEDYPNTBSA-N 444.399 4.167 5 20 IIBD Cc1noc(C)c1CN(C)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 914771333 OZNZVJJEEGVGKK-UHFFFAOYSA-N 440.422 4.093 5 20 IIBD C[C@@H](OC(=O)COc1cccc([N+](=O)[O-])c1)c1nc(-c2cccc(C(F)(F)F)c2)no1 914909571 WCMKTVZATYQSAM-LLVKDONJSA-N 437.330 4.347 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(Cc1ccco1)c1ccc(C)c(C)c1 915663563 MTQIBYBMFBMIOM-UHFFFAOYSA-N 438.436 4.238 5 20 IIBD CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1CC(C)C 916168279 JTERYPZGWIJNIL-HXUWFJFHSA-N 426.448 4.369 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CC(=O)N(C)c2ccccc2)cc1 917780389 FWVHWKKZAGYUTM-UHFFFAOYSA-N 432.480 4.119 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCc2[nH]c3c(Br)cccc3c2C1 919874206 RKQZQFZYVXRTOR-UHFFFAOYSA-N 443.301 4.103 5 20 IIBD COC(=O)[C@H](OC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1Cl 1116093368 RYQJOFJDCSHOBD-MGPLVRAMSA-N 428.224 4.126 5 20 IIBD Cc1nn(-c2ccc(C(=O)N3Cc4ccc([N+](=O)[O-])cc4C3)cc2)c(C)c1Br 1323315193 JWCIZQZQFXASKX-UHFFFAOYSA-N 441.285 4.316 5 20 IIBD COc1cc(Br)ccc1CCCNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 1325237483 FMYQWPYQQKMGDK-UHFFFAOYSA-N 434.290 4.024 5 20 IIBD CC(C)O[C@H](C)C(=O)NC1(c2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)cc2)CCC1 1785793509 AHDWRYRDFPARIG-QGZVFWFLSA-N 439.512 4.085 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@@H]4C4CC4)cc3)CCC2)ncc1[N+](=O)[O-] 1786053583 QHFGLGOTNQIGFU-MOPGFXCFSA-N 434.496 4.092 5 20 IIBD CC(F)(F)C(=O)Nc1ccc(C2(NC(=O)Cc3cc([N+](=O)[O-])ccc3F)CCC2)cc1 1787930362 CQSMQGMVQJTTCW-UHFFFAOYSA-N 435.402 4.066 5 20 IIBD O=C(Cc1ccncc1)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)CCC1 1790626396 VZGAGMJPVRLVQP-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD COc1cc(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)C)CCC3)cc2)ccc1[N+](=O)[O-] 1792163747 HEDPSBMQXSCYQB-UHFFFAOYSA-N 425.485 4.397 5 20 IIBD Cc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1 1804344924 NHHKUZWGBDDGID-SYTBUFMUSA-N 447.535 4.187 5 20 IIBD CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)[nH]n1 1816821518 NTBBMFYJADEBJG-INIZCTEOSA-N 433.896 4.386 5 20 IIBD CC(C)=CCCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(F)c3[N+](=O)[O-])sc2C1 1823474694 RRHJIWOJHASFBX-CYBMUJFWSA-N 446.504 4.163 5 20 IIBD C/C=C(/C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 1831345454 YNVLUBQCQBKGKR-PXWJFQKQSA-N 447.963 4.377 5 20 IIBD COc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CC3CCC3)CC2)ccc1[N+](=O)[O-] 1832698165 ULULHXYRGAMWNG-FQEVSTJZSA-N 443.544 4.027 5 20 IIBD Cc1cccc(Oc2ccc(NC(=O)COC(=O)COc3ccccc3[N+](=O)[O-])cc2)c1 11113597 TZYIVXAZHZDESS-UHFFFAOYSA-N 436.420 4.256 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1=Cc2cc(Br)ccc2OC1 11282661 HATIUCNEMZYTQF-UHFFFAOYSA-N 437.677 4.445 5 20 IIBD CC1CCN(c2nnc(SCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)n2C2CC2)CC1 11985430 FOWHUHTWNIJKBQ-UHFFFAOYSA-N 441.517 4.100 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(Sc3nnc(C)s3)c([N+](=O)[O-])c2)c(C)c1 15165212 WCFWZQOCDXMSHR-UHFFFAOYSA-N 436.540 4.324 5 20 IIBD O=C(COC(=O)CCCc1ccc(Br)s1)Nc1cc([N+](=O)[O-])ccc1F 16257116 CBEGWBGJTNRSLK-UHFFFAOYSA-N 445.266 4.063 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)CCc1ccc(-c2ccccc2F)o1 16320339 AMXRTCGUUFXCJF-UHFFFAOYSA-N 426.400 4.417 5 20 IIBD COc1ccc(CNC(=O)COc2ccc([N+](=O)[O-])cc2-c2cccs2)cc1OC 16324990 IYPBCTCTFKPMEX-UHFFFAOYSA-N 428.466 4.036 5 20 IIBD Cc1c(C(=O)OCC(=O)N2CCC(c3nc4ccccc4s3)CC2)cccc1[N+](=O)[O-] 26911309 NGLUUDPFEOUIDK-UHFFFAOYSA-N 439.493 4.076 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1ccc(Cn2cnc3ccccc32)cc1 61507955 JODVPBMFSPRPKS-UHFFFAOYSA-N 439.475 4.264 5 20 IIBD Cc1cc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)n(-c2ccc([N+](=O)[O-])cc2)n1 108259490 ZDUHEMQIIUFWKO-UHFFFAOYSA-N 431.408 4.187 5 20 IIBD O=C(Cc1cccc(F)c1)NCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 237742465 MXUXFGBKXOWING-UHFFFAOYSA-N 431.851 4.096 5 20 IIBD O=C(Nc1nc2c(s1)CCCCCC2)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303507197 SHLHDNDSJFDKLX-ZDUSSCGKSA-N 434.543 4.015 5 20 IIBD O=C(O)[C@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccccc1Cl 426706957 YSEGQARASSKHQP-HNNXBMFYSA-N 431.901 4.405 5 20 IIBD COc1cccc(C[C@@H](NCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C(=O)O)c1 426773364 JNQKWEITVYHPEG-OAQYLSRUSA-N 435.480 4.157 5 20 IIBD Cc1nc(C)n(Cc2cccc(NC(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)c2)n1 429111631 HCQMUSBWNHLMNF-UHFFFAOYSA-N 432.387 4.097 5 20 IIBD Cc1c(C(=O)N2CCCSc3ccc(Cl)cc32)nnn1-c1cccc([N+](=O)[O-])c1 430489980 AFHZXKILOXUZJB-UHFFFAOYSA-N 429.889 4.280 5 20 IIBD COc1cc(C(=O)N2C[C@H](C)C(=O)N(Cc3ccccc3)c3ccccc32)ccc1[N+](=O)[O-] 430817450 SRIXILGQBWUGLW-KRWDZBQOSA-N 445.475 4.433 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 431917178 UJRYODNWSZFZBS-INIZCTEOSA-N 443.656 4.364 5 20 IIBD Cc1ccc(OC2CCN(C(=O)COc3ccc([N+](=O)[O-])c4cccnc34)CC2)cc1C 432540992 KHBUHAMTIUZOCP-UHFFFAOYSA-N 435.480 4.209 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)C(F)(F)F 434643983 DRDTZMPMAXWTAN-SFHVURJKSA-N 433.390 4.013 5 20 IIBD COc1cc(-c2nc(-c3cccc(OCc4cccnc4)c3)no2)cc([N+](=O)[O-])c1OC 438749629 CVGLYGGKYCTESA-UHFFFAOYSA-N 434.408 4.303 5 20 IIBD NC(=O)c1ccc(SCC(=O)N2CCC[C@H](CCCc3ccccc3)C2)c([N+](=O)[O-])c1 439165440 FNDIVPVCSAQCEP-SFHVURJKSA-N 441.553 4.047 5 20 IIBD COC(=O)c1cc(Br)cc(NC(=O)c2cc([N+](=O)[O-])ccc2OC)c1Cl 440169457 QDAYTSWJWRLWRK-UHFFFAOYSA-N 443.637 4.058 5 20 IIBD Cn1[nH]c(-c2ccccc2)nc1=NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] 440882831 BSVUAXJSPQWGCC-UHFFFAOYSA-N 431.477 4.216 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 441079941 OHCWWXMDFVTSRN-VXGBXAGGSA-N 428.436 4.277 5 20 IIBD CCOC(=O)c1csc(CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])n1 442710235 DOVVOALKUDBSFD-UHFFFAOYSA-N 443.506 4.309 5 20 IIBD CCc1[nH]nc(C(=O)N(Cc2ccccc2)[C@@H](C)c2cccc(NC(C)=O)c2)c1[N+](=O)[O-] 443912198 YIULCTCFTSLUKU-HNNXBMFYSA-N 435.484 4.242 5 20 IIBD C[C@@H](NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1ccc(-n2ccnn2)cc1 444240811 NNJGNLJWUIPCAC-CYBMUJFWSA-N 445.429 4.031 5 20 IIBD COc1ccc(C[C@@H](C)CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1OC 444282359 BSADUUZOZSDJIZ-OAHLLOKOSA-N 448.494 4.446 5 20 IIBD O=C(NCC1(c2ccc(F)cc2)CCOCC1)c1sc(Br)cc1[N+](=O)[O-] 445177432 GPCPEUQZHJQNIQ-UHFFFAOYSA-N 443.294 4.036 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2Br)c(C(F)(F)F)c1 446998779 ZXGZWZCXVUUCAB-UHFFFAOYSA-N 425.182 4.177 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCCc1cnn(-c2ccccc2)c1 447678845 MDVPVAOWYBPDJA-UHFFFAOYSA-N 427.333 4.484 5 20 IIBD C[C@H](c1cnn(C)c1)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1ccccc1 460420144 FPTROUFCYKTUCU-QGZVFWFLSA-N 431.500 4.027 5 20 IIBD CCN(CC(=O)Nc1ccccc1OC)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 462434905 CUTOPTYWURHRIJ-UHFFFAOYSA-N 436.468 4.042 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C(=O)N2CCSCC2)ccc1C 462492826 VGCDRQPDSZJLLT-GOSISDBHSA-N 441.553 4.300 5 20 IIBD C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 462591596 JMCLUSDKPRDPNZ-KRWDZBQOSA-N 438.505 4.402 5 20 IIBD O=C(Nc1ccc(CCN2CCSCC2)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 463589703 LHYVAUUQBJJAAQ-UHFFFAOYSA-N 439.459 4.457 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CCCC[C@H]1N(C)C1CCN(C)CC1 463949475 JMNFBNBGFSEVBD-NHCUHLMSSA-N 431.581 4.013 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](Cc1ccccc1)c1ccccc1F 464036981 CMIWIIIEZJUETP-FQEVSTJZSA-N 435.455 4.389 5 20 IIBD Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cc1 464055647 WWOGFMCXNWFATG-UXHICEINSA-N 446.507 4.166 5 20 IIBD CCc1ccc([C@H](C)NC(=O)[C@H](C)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 464778395 NXWXEZPGAXNEMK-ROUUACIJSA-N 425.529 4.266 5 20 IIBD CC(=O)N1CCC(CNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC1 466747332 HVSLUZQQXJCJLW-UHFFFAOYSA-N 447.944 4.388 5 20 IIBD CN(Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 467106539 UWKUNPOAUSEWIN-UHFFFAOYSA-N 439.409 4.489 5 20 IIBD CSC[C@](C)(O)CNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 467792020 ZHHABVIZEBKBME-GOSISDBHSA-N 426.947 4.243 5 20 IIBD CC1(C)CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC(C)(C)O1 468054197 BUCAZDUVXGVWSI-UHFFFAOYSA-N 443.466 4.246 5 20 IIBD O=C1CCC(=O)N1c1ccc(C(=O)N2CCC[C@@H]2c2cccc3ccccc23)cc1[N+](=O)[O-] 468865517 GNFRBEPNCVHJPF-HXUWFJFHSA-N 443.459 4.379 5 20 IIBD CC(C)[C@H](NC(=O)COc1c(Cl)cccc1[N+](=O)[O-])c1ccc2c(c1)OCCCO2 471292227 MBSXOSPGCZOMMB-FQEVSTJZSA-N 434.876 4.302 5 20 IIBD COc1ccc(CNC(=O)N(Cc2cccc(Br)c2)CC2CC2)cc1[N+](=O)[O-] 473428296 UXMIHRRFXLSOTG-UHFFFAOYSA-N 448.317 4.488 5 20 IIBD COc1cc(Br)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1Cl 476327283 VLWHOHTVOSLBHU-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD O=[N+]([O-])c1ccc(CNc2ccccc2N2CCN(CCc3ccncc3)CC2)c(F)c1 478200176 SPSOKKNENXLJDX-UHFFFAOYSA-N 435.503 4.106 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N[C@H]2CC[C@@H](c3cccc(F)c3)C2)cc1[N+](=O)[O-] 478221078 BDKOYTWJTONVLN-PBHICJAKSA-N 441.488 4.080 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCC(CCN3CCCC[C@H]3C)CC2)cc1SC 478326409 CMBIAINWSFJQTO-MRXNPFEDSA-N 435.590 4.442 5 20 IIBD CS(=O)(=O)c1ccc(N[C@@H](c2cc(F)cc(Br)c2)C2CC2)c([N+](=O)[O-])c1 480508867 JFVSCRPVSCGTEC-QGZVFWFLSA-N 443.294 4.463 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Sc2nccn2C)cc1 480655720 XRIRJKVDURUMRV-UHFFFAOYSA-N 444.538 4.470 5 20 IIBD COC(=O)c1ccc([C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C(F)(F)F)cc1 482429978 YGPBBWUIURWWEP-OAHLLOKOSA-N 445.781 4.138 5 20 IIBD O=c1oc2cc(Br)c(F)cc2n1Cc1ccc([N+](=O)[O-])cc1C(F)(F)F 485498999 WIPMTKXOYVWXPU-UHFFFAOYSA-N 435.127 4.471 5 20 IIBD CCCOc1ccc(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1OCCC 486776095 ZOZNMALYIPFDGD-UHFFFAOYSA-N 431.493 4.238 5 20 IIBD CCc1nc(C)c(CNc2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2[N+](=O)[O-])o1 489043719 OXZGPCOBHPDZST-UHFFFAOYSA-N 444.513 4.281 5 20 IIBD O=C(NC[C@H](CO)Cc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 490210690 PLDYFQDNDBCCOS-QGZVFWFLSA-N 440.496 4.466 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)COc2ccc(C(C)(C)C)cc2)cc1OC 490265396 ZWFOMWVTLPBHCG-OAHLLOKOSA-N 430.501 4.497 5 20 IIBD Cc1nc(C2(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)CCCCCC2)no1 492550362 OCBXLOQEMUGCML-UHFFFAOYSA-N 430.508 4.212 5 20 IIBD O=C(c1cccc(C(F)(F)F)c1)N1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 494198041 KGBNKNRBNMREON-UHFFFAOYSA-N 427.810 4.225 5 20 IIBD Cn1cnnc1Sc1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1Cl 498303508 JZNDGDWPMAPZDU-UHFFFAOYSA-N 440.872 4.328 5 20 IIBD O=C(c1cnn(-c2ccc(Cl)cc2Cl)c1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 498383347 HTNNZUPQWQQCQQ-UHFFFAOYSA-N 446.294 4.050 5 20 IIBD CC(C)N(CC(=O)OC(C)(C)C)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 498829151 WVOPLJXJMJFWHZ-INIZCTEOSA-N 442.516 4.355 5 20 IIBD C[C@H](c1cccc(Cl)c1)N(C)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 499155272 XZEAKAOXDCTRPB-GFCCVEGCSA-N 431.905 4.361 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ccc(COCc2ccccc2)cc1 499289546 YUFZSQJPDZSWMX-UHFFFAOYSA-N 426.494 4.296 5 20 IIBD C[C@H](N[C@@H]1CCCC[C@H]1OC(F)F)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 502528513 LDPNURYMULNSNW-SGIREYDYSA-N 440.472 4.185 5 20 IIBD C[C@H](NC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc(Oc2cccnc2)cc1 503551440 MPNMXEAYSZSTHW-AWEZNQCLSA-N 432.440 4.219 5 20 IIBD O=[N+]([O-])c1cc(CN2CCN(c3ncccn3)CC2)ccc1Oc1ccccc1Cl 505871941 JBBHNPVONRLWTB-UHFFFAOYSA-N 425.876 4.153 5 20 IIBD Cc1ccc(CN(Cc2ccco2)C(=O)c2ccc([N+](=O)[O-])n2C)c(Br)c1 508201028 KOKDGTNIACCVLW-UHFFFAOYSA-N 432.274 4.440 5 20 IIBD CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 508383883 FBIRREJHDTUADI-UHFFFAOYSA-N 426.448 4.315 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])NCC1(c2ccc(Cl)cc2Cl)CCOCC1 510192433 KZXSZRBDYKHCOK-UHFFFAOYSA-N 438.311 4.449 5 20 IIBD CSc1ccc(C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cc1[N+](=O)[O-] 511847641 RGRMVSNFPULLTK-MRXNPFEDSA-N 439.459 4.340 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(N[C@@H](C[C@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])c1 513099551 XGJQBFSCMSAIGE-UTKZUKDTSA-N 447.557 4.205 5 20 IIBD CCN(C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)[C@H](C)c1cccc(C(F)(F)F)c1 513481725 UEUIYEGUNATLGB-GFCCVEGCSA-N 444.431 4.240 5 20 IIBD CC(C)[C@@H]1C[C@H](CC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCO1 513710309 RCQRGPPNMZBIRI-BEFAXECRSA-N 443.466 4.104 5 20 IIBD CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] 515296263 AZROAVVIOGCFIG-UHFFFAOYSA-N 426.473 4.493 5 20 IIBD Cc1cccc(Oc2ccc(NC(=O)Cn3cc(Br)c([N+](=O)[O-])n3)cc2)c1 515605784 RFSCIEORDTWXAX-UHFFFAOYSA-N 431.246 4.293 5 20 IIBD C[C@@H]1CN(c2ccccc2NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C[C@@H](C)O1 515616723 IRRBAIWQWCLTJN-RTBURBONSA-N 441.531 4.407 5 20 IIBD COc1ccc(CNC(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)cc1[N+](=O)[O-] 515730450 CITAJTXXNDKTPS-UHFFFAOYSA-N 443.456 4.295 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1csc([N+](=O)[O-])c1 515735150 RAYQJNACWHHDGR-UHFFFAOYSA-N 437.886 4.363 5 20 IIBD Cc1cccc(NC(=O)COc2ccc(CCNC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)c1 516598937 RNHLLAGONSOUDT-UHFFFAOYSA-N 448.479 4.285 5 20 IIBD COc1ccc(CNC(=O)c2nnn(-c3ccc(-c4ccccc4)cc3)c2C)cc1[N+](=O)[O-] 518700297 BRFBDJAXXRRPJV-UHFFFAOYSA-N 443.463 4.090 5 20 IIBD O=[N+]([O-])c1ccc(OCCSc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)cc1 519989793 ONQICJREZSJFJM-INIZCTEOSA-N 432.527 4.265 5 20 IIBD COc1cc(C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)ccc1[N+](=O)[O-] 521635988 ADIFCJRSDYNIKG-KRWDZBQOSA-N 429.231 4.263 5 20 IIBD CN(CCN1CCCC1=O)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 522158139 TWPQJULLEQFPGF-UHFFFAOYSA-N 433.917 4.094 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CCNC(=O)Nc1cc([N+](=O)[O-])ccc1C 522425218 SKXOHPIFWNPSSQ-UHFFFAOYSA-N 435.278 4.124 5 20 IIBD C[C@H]1CN(CC2CCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])CC2)C[C@@H](C)O1 524222989 YPPMAABLUBHVQV-KDURUIRLSA-N 437.540 4.151 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 525354346 QLYAOYLXMRPVOK-FQEVSTJZSA-N 425.485 4.235 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1ccc(C)c(OCC2CCOCC2)c1 525462004 USLZNEDZCVESAU-MRXNPFEDSA-N 443.500 4.156 5 20 IIBD O=C(c1ccccc1I)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 525620241 ITKVUAOBOYJSEZ-MRXNPFEDSA-N 440.262 4.087 5 20 IIBD COCc1nc(=NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)s[nH]1 527495783 YIVIBEJGQVICPQ-UHFFFAOYSA-N 436.902 4.072 5 20 IIBD Cc1cc(I)ccc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 533882599 NRPCPYVZYNIOPY-UHFFFAOYSA-N 435.221 4.170 5 20 IIBD CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 533892060 FLSWEGQYWPIEQD-UHFFFAOYSA-N 448.445 4.228 5 20 IIBD C[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(OCc2ccccn2)c1 534622874 MOYGMQWTDVNJJH-MRXNPFEDSA-N 430.464 4.470 5 20 IIBD CCC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2ccc(CC)c([N+](=O)[O-])c2)c1 534787442 MYTPHQIYNHAUFE-OAHLLOKOSA-N 433.530 4.018 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2cnco2)cc1 536491081 HQASYXGAXCKZMM-UHFFFAOYSA-N 427.438 4.157 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl 536932122 SHXQBJRRQFBEGD-BBATYDOGSA-N 441.709 4.446 5 20 IIBD COc1cc(CNc2cccc(NC(C)=O)c2C)c([N+](=O)[O-])cc1OCC(F)(F)F 537722153 ZROSYZSBPBCDAW-UHFFFAOYSA-N 427.379 4.423 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC=C(c2ccc3c(c2)OCCO3)CC1 539963093 BBWWTCVMYFGSHM-AWEZNQCLSA-N 444.871 4.103 5 20 IIBD COc1ccc(CC(=O)N[C@H](c2ccccc2OC(F)F)C(F)(F)F)cc1[N+](=O)[O-] 540912914 YZLYOVIMDIDUJN-MRXNPFEDSA-N 434.317 4.167 5 20 IIBD COc1ccc(NC(=O)C2(NCc3ccc([N+](=O)[O-])cc3Cl)CCCC2)cc1OC 542001681 PLLSQTQRQVIPGQ-UHFFFAOYSA-N 433.892 4.307 5 20 IIBD NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 542045913 VSZIISBEAVVMDU-LSDHHAIUSA-N 429.420 4.009 5 20 IIBD C[C@H]1CSc2ccc(Cl)cc2N(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 543267160 PWHSEEMGGZNIAA-LLVKDONJSA-N 440.930 4.040 5 20 IIBD COc1ccc2oc([C@H](C)NCCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)c(C)c2c1 544476685 HSSDHKJIZHVFGE-AWEZNQCLSA-N 425.441 4.307 5 20 IIBD NS(=O)(=O)c1cccc(N[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] 545345359 UMJXGAPUKDKMRX-KGLIPLIRSA-N 429.420 4.009 5 20 IIBD Cc1cc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)nn1-c1ccc(Cl)c(Cl)c1 545783424 POHYOCNHGOBSHX-UHFFFAOYSA-N 431.239 4.432 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N(c1ccccc1)c1ncccc1Br 555552291 BSPDGFOVANUTBQ-UHFFFAOYSA-N 430.262 4.012 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccc(Br)cc1Cl 558739103 DYERWXHHVLINLM-UHFFFAOYSA-N 426.698 4.124 5 20 IIBD CC(C)Oc1ccccc1[C@H](C)NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 561293757 KEWSGDNOMPFGCM-HNNXBMFYSA-N 427.501 4.495 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3ncccc3Br)n2)c(Br)c1 561891549 GNCRHNPMTIPRNX-UHFFFAOYSA-N 440.051 4.156 5 20 IIBD COC(=O)CCN(Cc1cccc(Br)c1)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 574352007 OVDBUJBTCFFQRH-AWEZNQCLSA-N 449.301 4.053 5 20 IIBD COc1cc(OC)cc(Oc2cccc(CNc3nc(O)c4cc([N+](=O)[O-])ccc4n3)c2)c1 574592911 MEYRFZJHZRRSOW-UHFFFAOYSA-N 448.435 4.665 5 20 IIBD COC[C@H](NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])[C@H]1CCCO1 576934260 SHFHYUROIQRUML-DLBZAZTESA-N 436.917 4.323 5 20 IIBD COc1ccc([C@H](Cc2ccccc2)NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1 580131491 SWQPWIFLBPIKSZ-NRFANRHFSA-N 426.494 4.007 5 20 IIBD O=C(Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 583411023 QXBJBZZDFQAVOO-UHFFFAOYSA-N 447.373 4.226 5 20 IIBD NC(=O)c1ccc(SCC(=O)N(Cc2ccco2)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 603531191 FMFYFWINVICAQH-UHFFFAOYSA-N 445.884 4.266 5 20 IIBD CCCOc1ccc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1Cl 603993807 UWSIRDKAYOERRA-UHFFFAOYSA-N 433.848 4.364 5 20 IIBD COc1cc(-c2noc(CCC(=O)Nc3cccc([N+](=O)[O-])c3C)n2)cc(Cl)c1OC 604111616 DHBZUQRMGWZRCP-UHFFFAOYSA-N 446.847 4.195 5 20 IIBD Cn1c(C(=O)N2CCN([C@@H](c3ccccc3)c3ccccc3Cl)CC2)ccc1[N+](=O)[O-] 608855823 RCNFULGSIZJTKV-QFIPXVFZSA-N 438.915 4.134 5 20 IIBD COc1ccc(CNCc2cn3ccc(C)cc3n2)cc1OCc1ccc([N+](=O)[O-])cc1 609222583 SBDMDDCBIFIRLG-UHFFFAOYSA-N 432.480 4.428 5 20 IIBD Cc1nc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)nn1-c1ccccc1C(C)C 609453397 GUVRTODRKVOQFH-UHFFFAOYSA-N 431.456 4.045 5 20 IIBD COc1cc(C(=O)NCc2ccc(COCc3ccccc3)cc2)cc([N+](=O)[O-])c1OC 610171391 JMZRHZRXXCMAOD-UHFFFAOYSA-N 436.464 4.259 5 20 IIBD CC(=O)N[C@H]1Cc2ccccc2N(C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)C1 610977287 DBHGRXJKARFXED-IBGZPJMESA-N 441.553 4.441 5 20 IIBD COc1cc(OC)c(C2CCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)CC2)c(OC)c1 611195280 VEPAVZPLXONPJT-UHFFFAOYSA-N 439.468 4.122 5 20 IIBD Cn1ccnc1[C@H](N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1ccc([N+](=O)[O-])cc1 611560962 VOXLFXVBDTZMGV-FXAWDEMLSA-N 445.445 4.305 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[C@H]2c2ccccc2Br)s1 611930115 VDBWEEXWCCIFAL-LBPRGKRZSA-N 431.333 4.164 5 20 IIBD CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 613334353 FJNIMZSGSGSLCX-UHFFFAOYSA-N 426.281 4.271 5 20 IIBD COc1ccc(-c2cnc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)n2C)cc1 647611043 ALUZZNHTPIJBOJ-UHFFFAOYSA-N 438.487 4.203 5 20 IIBD O=c1cc(C(F)(F)F)c2ccc(OS(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2o1 725818295 HLHVTPHLVIDEBF-UHFFFAOYSA-N 449.746 4.141 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])c1ccc2ccccc2c1 725936731 HYCYWQYMHJEZKY-QWHCGFSZSA-N 428.391 4.449 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1[N+](=O)[O-] 725948293 QBQLRJWRPOPWLJ-SFHVURJKSA-N 448.475 4.378 5 20 IIBD CC(C)(NC(=O)c1ccc([N+](=O)[O-])cc1I)c1ccc(F)cc1 728500262 LKDWIXCOIUJLLH-UHFFFAOYSA-N 428.201 4.004 5 20 IIBD O=C(OCc1c(F)cccc1[N+](=O)[O-])C1CCN(C(=O)c2cccc3ccccc23)CC1 728987998 IPTPAKZQYGJPID-UHFFFAOYSA-N 436.439 4.483 5 20 IIBD COc1ccc(-c2ccc(C(=O)OCC(=O)N(C)c3ccc([N+](=O)[O-])cc3)c(F)c2)cc1 730351006 PXKIRETYYQDJHN-UHFFFAOYSA-N 438.411 4.229 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 730502765 CCDJLWFUOMTRTE-VWLOTQADSA-N 442.475 4.175 5 20 IIBD CN(Cc1cc(Cl)cc(Cl)c1)C(=O)COC(=O)c1c(Cl)cccc1[N+](=O)[O-] 730645489 NXRBZHYIISIHBS-UHFFFAOYSA-N 431.659 4.370 5 20 IIBD C[C@H](SCc1ccccc1)C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730705552 QCBJZJJWDPYHOA-WMZOPIPTSA-N 428.510 4.065 5 20 IIBD O=C(Nc1ccccc1C(=O)OCCOCC(F)(F)F)c1ccc([N+](=O)[O-])cc1Cl 733416613 IGJUFQONVLMOHW-UHFFFAOYSA-N 446.765 4.236 5 20 IIBD COc1ccc(NC(=O)COC(=O)C[C@H](C)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 733524319 RWWTVDLZPNYPPJ-LBPRGKRZSA-N 440.374 4.298 5 20 IIBD COc1cc(CCNC(=O)c2cc3c4ccccc4n(C)c3s2)c([N+](=O)[O-])cc1OC 733696792 CQPHKUZIHJGOKF-UHFFFAOYSA-N 439.493 4.291 5 20 IIBD C[C@](O)(CNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 734003952 CRIUMRTXFFNSLA-VWLOTQADSA-N 428.492 4.445 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1cccc(CSC2CCOCC2)c1 734807021 GGJZSMOMYHSBTG-UHFFFAOYSA-N 442.946 4.461 5 20 IIBD COc1ccccc1Nc1nc(N)nc(CSCc2cc([N+](=O)[O-])ccc2Cl)n1 735507031 MHIUWOCPIVADQC-UHFFFAOYSA-N 432.893 4.201 5 20 IIBD CC(C)N(Cc1ncc(-c2ccc3c(c2)OCO3)[nH]1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] 737554636 RVODRRDFOJCUBW-UHFFFAOYSA-N 442.859 4.418 5 20 IIBD CCNC(=O)c1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Br 739524397 UNBSFAWRAGOJJO-UHFFFAOYSA-N 426.654 4.013 5 20 IIBD CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 739550067 AJLYQGWGTXRAOU-UHFFFAOYSA-N 443.500 4.415 5 20 IIBD Cc1nc(Cc2ccccc2)sc1[C@H](C)OC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 739592978 YHDXQQHZAHJCHM-HNNXBMFYSA-N 449.492 4.449 5 20 IIBD COc1ccc([C@H]2[C@H](COC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CCN2C)cc1 744150706 FUBMGFPPCOPJAX-LIRRHRJNSA-N 438.402 4.472 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1OC(=O)[C@@H]1CCCOC1 744282564 BGZUSVZUMLEXKC-LLVKDONJSA-N 439.251 4.486 5 20 IIBD Cc1cc(=O)c(C(=O)O[C@H](C)c2ccc(C(F)(F)F)cc2)nn1-c1ccccc1[N+](=O)[O-] 744508839 CTCZYMHSCKMVJB-CYBMUJFWSA-N 447.369 4.386 5 20 IIBD NC(=O)c1ccc(COC(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)c([N+](=O)[O-])c1 745431242 RPGWHUXUEKVICW-UHFFFAOYSA-N 430.338 4.135 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 747140152 OHSDQUSCUFVTOS-NRFANRHFSA-N 436.418 4.323 5 20 IIBD COc1ccc(N2C(=O)C3(CCCC3)N[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC 747439942 FVDWVNPZDFEILA-LJQANCHMSA-N 431.876 4.213 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc(-c2cccc(Cl)c2)no1 748924189 LGZINWSSVFBBSV-UHFFFAOYSA-N 426.772 4.310 5 20 IIBD Cc1c(C(=O)O[C@@H](C)C(=O)Nc2ccc3ccccc3c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748946832 IYZLDUQZNRBAGJ-AWEZNQCLSA-N 437.408 4.457 5 20 IIBD CCN1CCc2nc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3Cl)sc2C1 749568729 QYTCLEHXNDCETC-UHFFFAOYSA-N 445.726 4.098 5 20 IIBD O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 751073687 JTZGZVCBAMMMKV-UHFFFAOYSA-N 425.382 4.101 5 20 IIBD Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)c1C(=O)N1CCCC1 751089488 WWLPBJACRHMIDC-UHFFFAOYSA-N 432.274 4.154 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)c1ccc(F)c(Cl)c1 751690429 LVABKMJSDFOENQ-UHFFFAOYSA-N 434.576 4.329 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1[N+](=O)[O-] 755015737 GUKQDWOIBXTJNN-SECBINFHSA-N 426.198 4.204 5 20 IIBD Cc1c(C(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cccc1-c1ccccn1 755023107 GQHSFZDWXNAKQF-UHFFFAOYSA-N 425.828 4.414 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3csc([C@@H]4CCCO4)n3)CC2)ccc1[N+](=O)[O-] 756565059 JSFWKUDTMHHXPU-SFHVURJKSA-N 447.513 4.127 5 20 IIBD O=C1Nc2cc(Cl)ccc2C1=C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 758367296 ZIWTZSYJXHULFV-UHFFFAOYSA-N 430.823 4.421 5 20 IIBD CN(Cc1cccn1C)C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 760958870 RXNAAIUYFNDKMK-UHFFFAOYSA-N 426.860 4.111 5 20 IIBD CS(=O)(=O)c1cccc(Oc2ncccc2CNCc2ccc([N+](=O)[O-])c(Cl)c2)c1 761525362 IOFJZVOQNMWJGB-UHFFFAOYSA-N 447.900 4.129 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@@H](c2nc(Cc3ccc(F)c(Br)c3)no2)C1 761789063 BIEQTERGAORIEP-MRXNPFEDSA-N 447.220 4.336 5 20 IIBD CN(C)CC1CCN(c2ccc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)cc2)CC1 762455969 PFTKQVAWLJVKNM-UHFFFAOYSA-N 442.535 4.428 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H](O)c1c(Cl)cccc1Cl 762515478 HMEICLNQRQMHQA-CQSZACIVSA-N 433.675 4.174 5 20 IIBD Cc1cc(C)c(Br)c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 764623127 OJYYVTITVQJZMQ-UHFFFAOYSA-N 441.665 4.423 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)ccc1Br 765185897 RYVGKGJTMIYZTK-OAHLLOKOSA-N 447.257 4.161 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@]2(CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)C2)C1 765734365 REKTUXMLYRRBKC-QHCPKHFHSA-N 431.533 4.365 5 20 IIBD Cc1ccc(NC(=O)c2ccc(I)c([N+](=O)[O-])c2)cc1-c1ncco1 769719250 IINXNSCXZBWCPA-UHFFFAOYSA-N 449.204 4.415 5 20 IIBD Cn1ccnc1[C@@H](O)[C@H]1CCCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 770334237 FKSTUKIOBGLUAQ-JTSKRJEESA-N 440.475 4.205 5 20 IIBD O=C(Nc1ccc2c(c1)ncn2-c1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 770662059 JIDINPCGEAGIRO-UHFFFAOYSA-N 443.463 4.023 5 20 IIBD COc1ccccc1[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1nccn1C 771763218 BZNQENYNALRKJT-QGZVFWFLSA-N 449.389 4.267 5 20 IIBD CC(=O)Nc1cccc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c1 775090832 LCMKLLAYFJYHBA-ZDUSSCGKSA-N 445.497 4.238 5 20 IIBD CSc1cccc(C(=O)OCc2nnc(C(=O)Nc3ccc(C)cc3)s2)c1[N+](=O)[O-] 777074925 QIPLOIDVSWOYIJ-UHFFFAOYSA-N 444.494 4.086 5 20 IIBD C[C@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc2ccccc12 778887514 LFNFIWNTFBKVSW-ZDUSSCGKSA-N 444.390 4.384 5 20 IIBD C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 778893016 QEQZDHLPKNXRPX-NSHDSACASA-N 442.802 4.226 5 20 IIBD C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(CNC(=O)OC(C)(C)C)cc1 779056919 YQLDKYVGTRGCEX-OAHLLOKOSA-N 428.489 4.449 5 20 IIBD O=C(NCc1ccccc1)c1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 779337745 CNHUYVDCPWUVCQ-UHFFFAOYSA-N 441.390 4.379 5 20 IIBD CC(=O)c1cc(Br)cc(F)c1OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 783926042 ZVTLPSFXQZYGQJ-UHFFFAOYSA-N 445.628 4.370 5 20 IIBD COc1ccc(Cl)cc1C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 786784897 GDZGRIOIQSLDBL-CQSZACIVSA-N 438.933 4.119 5 20 IIBD O=C(c1cc(NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccn1)N1CCCCC1 788465191 UFDTZHPNBIDJEW-UHFFFAOYSA-N 437.422 4.159 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)[C@@H]2CC(=O)c3ccccc32)c2ccccc2)c([N+](=O)[O-])c1 789301889 PPCGSIGHDILRDC-AUSIDOKSSA-N 444.443 4.496 5 20 IIBD Cc1cnc(COC(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)c(C)c1[N+](=O)[O-] 789438377 XYPSCFQMVPLGGM-UHFFFAOYSA-N 437.790 4.135 5 20 IIBD Cc1cnc(COC(=O)c2nn(-c3ccc(F)cc3)cc2Br)c(C)c1[N+](=O)[O-] 789445918 KDHWSOVPQNYGSX-UHFFFAOYSA-N 449.236 4.051 5 20 IIBD CSc1ccc(NC(=O)[C@@H](C)OC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])cc1 790744639 VSIRCTDJNBRAGV-SNVBAGLBSA-N 426.853 4.222 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)c(Cl)c1 791411427 IUKDOHQYWLZJQJ-UHFFFAOYSA-N 427.605 4.231 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1c(-c2cccc(Cl)c2)noc1C 796389256 QYVLXSTVAJBBAG-UHFFFAOYSA-N 429.816 4.316 5 20 IIBD Cc1ccc(Oc2ccc([N+](=O)[O-])cc2Br)c(I)n1 798395613 HKVLAFFZEBFIAX-UHFFFAOYSA-N 435.015 4.458 5 20 IIBD CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] 808866812 CXQUOGRRWJJUDV-IBGZPJMESA-N 447.438 4.137 5 20 IIBD CC(=O)N(CCc1ccccc1)CC(=O)OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811085455 NYSDMHMYYAWGGF-UHFFFAOYSA-N 425.268 4.036 5 20 IIBD CC(=O)NCc1ccc(C(=O)[C@H](C)OC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])s1 811372768 GGXNFOVODKSSDW-QMMMGPOBSA-N 445.280 4.027 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 812146940 JLMSHGFBNGONRV-KKSFZXQISA-N 437.500 4.096 5 20 IIBD Cc1ccc(NS(=O)(=O)c2cc(-c3nc(CCC(C)(C)[N+](=O)[O-])no3)ccc2C)cc1 812814726 NYCTXOXJJAWERR-UHFFFAOYSA-N 444.513 4.142 5 20 IIBD CCOc1ccc([C@@H](O)C2CCN(C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 812877992 NBPKEMRZDODFSK-KSFYIVLOSA-N 427.501 4.210 5 20 IIBD O=C(O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)c1csc(-c2ccc(F)c(F)c2)n1 813171741 SSWDQOJRIPKQHN-INIZCTEOSA-N 445.447 4.428 5 20 IIBD CC(C)c1nn(C)c2sc(C(=O)O[C@H]3CCN(Cc4cccc([N+](=O)[O-])c4)C3)cc12 813173672 IRRRSYFXLLEQGH-INIZCTEOSA-N 428.514 4.098 5 20 IIBD Cc1nc(-c2ccc(Br)cc2)c(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)n1C 813461738 XHQZSUDSRHWWSW-UHFFFAOYSA-N 448.252 4.040 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@H](c1ccccc1)[C@@H](O)c1ccccc1 813715445 KDNHSZZQTGJKSM-UXHICEINSA-N 432.885 4.001 5 20 IIBD CSc1ccc(C(=O)N2CCC3(CCN(C(=O)OC(C)(C)C)C3)CC2)cc1[N+](=O)[O-] 814339269 IRELBAVDQBLLOS-UHFFFAOYSA-N 435.546 4.180 5 20 IIBD Cc1cc(Cl)c(C(=O)OCc2nc(-c3cc(F)c(F)c(F)c3)no2)cc1[N+](=O)[O-] 815405934 OLAUJABEJQMLLC-UHFFFAOYSA-N 427.722 4.381 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cccc1[N+](=O)[O-] 815510419 WICIBCYAOVBVIU-JTQLQIEISA-N 441.318 4.014 5 20 IIBD CC1(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC1 816073513 XBWRHTCCWBIWNA-UHFFFAOYSA-N 445.438 4.381 5 20 IIBD Cc1cccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1C(=O)N1CCCC1 916054140 LZIOJVAQHKBBDA-UHFFFAOYSA-N 432.274 4.154 5 20 IIBD O=C(CN1CCC(Oc2ccc(F)cc2F)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] 917133115 JIOVSNMQLNREHO-UHFFFAOYSA-N 425.819 4.008 5 20 IIBD C[C@H](Nc1ccc(C(=O)OC[C@H]2COc3ccccc3O2)cc1[N+](=O)[O-])c1ccccn1 920116590 LQVGBDHQPYCHLB-DOTOQJQBSA-N 435.436 4.160 5 20 IIBD CO[C@@H]1CCC[C@@H](OC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)C1 920123672 FLPHWFVCAKHXNR-IAGOWNOFSA-N 426.469 4.006 5 20 IIBD C[C@@H](OC(=O)CNc1ccccc1[N+](=O)[O-])c1nc(-c2cccc(C(F)(F)F)c2)no1 920605142 WEVYJWADGKWRMY-LLVKDONJSA-N 436.346 4.380 5 20 IIBD O=C(Nc1cccc(OC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c1)c1ccccc1 921279986 AXOGMXKWYICCJV-UHFFFAOYSA-N 428.404 4.252 5 20 IIBD COC(=O)C[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C)c1F)c1ccc(C(F)(F)F)cc1 1121236982 IHDRIGGIFCEGBA-HNNXBMFYSA-N 428.338 4.095 5 20 IIBD CCN(CC)C1CCN(Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)CC1 1319693776 FKBZJDAEDCEOAB-UHFFFAOYSA-N 427.545 4.489 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccco3)cc2)CCC1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 1787272003 FWZJLXYGANFSLZ-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD Cc1cc(C)c(C(=O)NC2(c3ccc(NC(=O)c4nc[nH]c4[N+](=O)[O-])cc3)CCC2)c(C)c1 1788613485 OPRZTHQUVRRHBW-UHFFFAOYSA-N 447.495 4.305 5 20 IIBD Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cc(C)c([N+](=O)[O-])cn4)cc3)CCC2)o1 1788767257 GTVXGVLSIUNMJO-UHFFFAOYSA-N 448.479 4.190 5 20 IIBD Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2cccc([N+](=O)[O-])c2)cc1Cl 1792474060 CEBPSYSYVFGKIW-REPLKXPHSA-N 441.915 4.051 5 20 IIBD C[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C2)c1cccs1 1802860307 NTQXWXWHTMJRBG-FVUZNRHOSA-N 439.537 4.111 5 20 IIBD C/C=C/C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)n[nH]1 1820842442 AQWCJBBPIBHKDE-GBVBSETHSA-N 437.500 4.008 5 20 IIBD COc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(C)CCC3)CC2)ccc1[N+](=O)[O-] 1823711691 LYJGKSKMHCMGCG-IBGZPJMESA-N 443.544 4.027 5 20 IIBD CCC(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])CC2 1825156628 GLHNXLWAMKRRBE-RZXPCSSPSA-N 442.541 4.113 5 20 IIBD C[C@@H]1C[C@@]1(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1830228238 QRLCMAKQTDYQFD-LIKPYCHESA-N 439.556 4.274 5 20 IIBD Cc1cccc(C(=O)N2CC3(CCCN3C(=O)CCc3cccc([N+](=O)[O-])c3)C2)c1Cl 1841808884 IBIHNAUSMLFMJR-UHFFFAOYSA-N 441.915 4.006 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Br)s1 15033776 LAYJFSGWLJAVTQ-UHFFFAOYSA-N 438.225 4.280 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)OCc2cc(Br)ccc2OC)cc1OC 19159643 XBZUHWRYTLMMIS-UHFFFAOYSA-N 440.246 4.130 5 20 IIBD Cc1ccc(CN(C)C(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cc1 25578701 SAFSBHQVIGPSAY-UHFFFAOYSA-N 431.492 4.472 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3nc(-c4cccnc4)cs3)cc2)c(C)c1[N+](=O)[O-] 29253947 TWWBMYAAMIFSSM-UHFFFAOYSA-N 434.481 4.227 5 20 IIBD CCCCN1C(=O)CC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1OC 29485376 ISDXIJLSSQYIPT-SIKLNZKXSA-N 425.485 4.322 5 20 IIBD Cc1cc(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1Oc1ccc(F)cc1 60685837 MTOHQRSVPNDMLT-UHFFFAOYSA-N 437.427 4.398 5 20 IIBD CC1CCN(CCCNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 108773255 BIQBARDEOPWGDI-GOSISDBHSA-N 425.533 4.015 5 20 IIBD CCOc1ccc2c(c1)CN(C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC2 109434677 BTRGUKUONDFDRR-UHFFFAOYSA-N 437.418 4.399 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])N(C/C=C\c1ccccc1)c1ccc2c(c1)OCCO2 216850522 ZBBYRGUWMKLVDS-TWGQIWQCSA-N 446.459 4.491 5 20 IIBD Cc1nc([C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c2ccccc2F)no1 237687593 SVGRJGOJJWQWJE-GOSISDBHSA-N 425.445 4.428 5 20 IIBD O=C(Nc1ccccc1C(=O)Nc1nnc(C2CC2)s1)c1ccc([N+](=O)[O-])cc1Cl 247351839 WGKTVMJYTKCAIS-UHFFFAOYSA-N 443.872 4.482 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(CNc3cc(Br)ccc3[N+](=O)[O-])cc2)C[C@@H](C)O1 301670862 NUFOUNZUNDROIG-OKILXGFUSA-N 448.317 4.219 5 20 IIBD O=C(N[C@@H]1CCSc2ccccc21)c1ccc([N+](=O)[O-])cc1I 303181284 YJRJRPRBIYVCJL-CQSZACIVSA-N 440.262 4.166 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 303649851 DNIKJROPVQTCSC-UHFFFAOYSA-N 439.356 4.155 5 20 IIBD CC[C@@H](O)CN(Cc1ccccc1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 426277602 SUDDQPFAPKSQCZ-GOSISDBHSA-N 425.407 4.096 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 426310684 BXKMHXXFGRBYDO-UHFFFAOYSA-N 428.247 4.118 5 20 IIBD Cc1noc(C)c1CSc1ccccc1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 427812386 NDBQSZFXXKJDRO-UHFFFAOYSA-N 441.513 4.166 5 20 IIBD O=C(Nc1ccc(Oc2ccc(CO)cc2)cc1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 428007336 VMCXXSSNAFOAQY-UHFFFAOYSA-N 431.404 4.386 5 20 IIBD C[C@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H](c2cccc(C(F)(F)F)c2)O1 428936890 SKCTXVQCMPOVFB-DJJJIMSYSA-N 438.402 4.442 5 20 IIBD Cc1c(NC(=O)C(=O)N2CCC[C@@H]2c2cccs2)cc(Br)cc1[N+](=O)[O-] 430316294 GIOZPQXYWARXLQ-CYBMUJFWSA-N 438.303 4.029 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[C@@H](OCCCc2ccccc2)C1 430450082 PKXFDLSEZCHANG-JOCHJYFZSA-N 437.540 4.062 5 20 IIBD COc1cc(C(=O)N[C@@H](c2ccco2)c2ccccc2OC)c([N+](=O)[O-])cc1OC(F)F 431116084 DESGFUTWNHZTOC-LJQANCHMSA-N 448.378 4.326 5 20 IIBD COc1ccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc1-c1ccnn1C 431226405 SPVMCEMOGIIQBW-UHFFFAOYSA-N 445.273 4.327 5 20 IIBD COc1ccc([C@H](N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c2ccc(F)cc2)cc1 433698834 IKYDLZOVAINSJO-XZOQPEGZSA-N 435.455 4.227 5 20 IIBD CCC[C@H](C)N(C(=O)c1cccc(OC)c1[N+](=O)[O-])c1nc(C)c(C(=O)OCC)s1 435856057 LGULOMRJKAUHOD-LBPRGKRZSA-N 435.502 4.380 5 20 IIBD O=C(NCCCc1nc2ccccc2[nH]1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 435950990 UUAMQZOJWVBVRO-UHFFFAOYSA-N 432.430 4.198 5 20 IIBD COc1ccc(-c2nnc(SCc3cc(O)ccc3[N+](=O)[O-])n2C[C@@H]2CCCO2)cc1 436477463 XAUOHTJOMACTJO-SFHVURJKSA-N 442.497 4.039 5 20 IIBD CC(C)(C)NC(=O)c1ccccc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 438805242 LPEAAHIBIPQRIG-UHFFFAOYSA-N 446.312 4.231 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1cccc(C)c1)Cc1ccco1 439780834 LNEFJJNEHCBDJM-UHFFFAOYSA-N 437.452 4.062 5 20 IIBD CC[C@H](CNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)Oc1cccc(F)c1 439830920 OLFVUSAHAYDXSJ-HXUWFJFHSA-N 440.475 4.183 5 20 IIBD C[C@H]1CN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 440871752 GCTYWFWRHAIZIN-AOMKIAJQSA-N 428.510 4.156 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3nc(C4CCC4)cs3)CC2)ccc1[N+](=O)[O-] 442071270 JMNNIXSTHHJPPG-UHFFFAOYSA-N 431.518 4.072 5 20 IIBD C[C@@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1nc2ccccc2n1C 444039123 KVYNZQKGNFCYLZ-GFCCVEGCSA-N 432.430 4.337 5 20 IIBD C[C@H](NC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)[C@H](C)c1ccccc1C(F)(F)F 445226323 UFJKVMWQEQPATH-RYUDHWBXSA-N 435.406 4.481 5 20 IIBD CC(=O)N(Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1)C1CC1 446035397 KXEUEEKUCMDLJF-UHFFFAOYSA-N 446.301 4.049 5 20 IIBD COc1ccc(Cl)cc1C1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCOCC1 446500045 UUFPJBGFSOAWMJ-UHFFFAOYSA-N 433.892 4.435 5 20 IIBD C[C@H](c1cccc(Cl)c1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 447019886 YZCIPFWEXYCBRZ-SNVBAGLBSA-N 433.711 4.392 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCSC[C@@H]2c2ccccc2)c(C(F)(F)F)c1 447040534 SNIOHXPAGYAASM-OAHLLOKOSA-N 432.445 4.092 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCO[C@H](CCc2ccccc2)C1 447688495 HMGKZHPJEGLGMW-CQSZACIVSA-N 431.361 4.482 5 20 IIBD CN(CC[C@@H]1CCCCN1C)C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 461265279 PVHKEADKSQPQKF-ZDUSSCGKSA-N 440.331 4.034 5 20 IIBD O=C(NCCc1c[nH]c2cccc(Br)c12)N1CCc2ccc([N+](=O)[O-])cc2C1 462118462 BORKGFLWFSCRBZ-UHFFFAOYSA-N 443.301 4.149 5 20 IIBD CC(C)(C)N(Cc1cccc(F)c1)C(=O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464778225 SDYPCVUSKFRWGD-UHFFFAOYSA-N 443.519 4.404 5 20 IIBD C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 466436783 QMTZSTXTYKQYJZ-ZUKSIGSZSA-N 438.958 4.381 5 20 IIBD Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl 467225310 OWUJMHGHXYBXGP-KRWDZBQOSA-N 427.892 4.281 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccccc1Oc1ccccc1 467862776 IUCQEIQRLILSOG-UHFFFAOYSA-N 425.828 4.295 5 20 IIBD Cn1nc([C@H]2CCCOC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 468620644 OXFWMDZHTWBDMR-KRWDZBQOSA-N 435.484 4.087 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nc2ccc(Br)cc2n1CC 471106119 XICAPUQTXJGJOP-UHFFFAOYSA-N 433.262 4.378 5 20 IIBD CCC[C@@H](NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 472639001 SDBUKBVWPJDZOM-MRXNPFEDSA-N 427.354 4.349 5 20 IIBD O=C(CN1CCSC[C@@H]1c1cccc(C(F)(F)F)c1)Nc1ccccc1[N+](=O)[O-] 473200150 IYMLKAFMZABOLG-QGZVFWFLSA-N 425.432 4.342 5 20 IIBD CC(C)OCCN1CCC(NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 475612248 LNGDPSFBAVNLHO-UHFFFAOYSA-N 442.516 4.398 5 20 IIBD COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2OC)cc1NC(=O)C1CCCCC1 476064314 AGFBVLODVMHMMG-UHFFFAOYSA-N 427.457 4.383 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)NCc1nc(-c2cc3ccccc3o2)cs1 476187240 HHGZMOFXFUFPOK-UHFFFAOYSA-N 429.479 4.084 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCNc1ccc(C(F)(F)F)cn1 479303657 OVTGIPZPYPPKSN-LBPRGKRZSA-N 428.436 4.108 5 20 IIBD COC(=O)c1cc(OCc2coc(-c3ccc(Br)cc3)n2)ccc1[N+](=O)[O-] 481897610 IEMXJXICGNWBKN-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD C[C@@H](N[C@H](C)c1ccc(Br)cn1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 482960102 NBVHRAWAXHCEJX-NXEZZACHSA-N 427.686 4.084 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@H]4[C@@H](CCCN4Cc4ccccc4)C3)n2)c1 483513503 OTDURQCAKKMZAM-UNMCSNQZSA-N 433.512 4.131 5 20 IIBD O=C([C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1CCC[C@H](c2ccc(F)cc2)CC1 484031106 FCCWWKHNWUCAQX-YJBOKZPZSA-N 445.516 4.196 5 20 IIBD C[C@@H](c1nc(-c2cccs2)no1)N1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 485175447 TUKKKFBEYWKCAO-AWEZNQCLSA-N 436.497 4.138 5 20 IIBD C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 485609384 MAVJFYGMMSGBCA-AWEZNQCLSA-N 446.935 4.236 5 20 IIBD CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 485708453 QKPWTDIXFWQSGB-AWEZNQCLSA-N 438.509 4.177 5 20 IIBD O=C(c1ccc(N2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1)N1CCOCC1 486037668 MXLKGWQPNDBVOE-YPAWHYETSA-N 435.524 4.230 5 20 IIBD CSc1cccc(C(=O)Nc2cc(C(=O)N3CCSCC3)ccc2C)c1[N+](=O)[O-] 486243675 KZWCOTPKTGCRRP-UHFFFAOYSA-N 431.539 4.066 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N(C)CCc3ccc(Cl)cc3)cc2)c(C)c1[N+](=O)[O-] 487388865 MYYVKFROULRNAF-UHFFFAOYSA-N 426.904 4.425 5 20 IIBD O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 487438307 IEUXLUIAPOTKMB-JOCHJYFZSA-N 447.516 4.277 5 20 IIBD CC(=O)N[C@H](CC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(Br)cc1 488086989 FKYGEZMYXGLWBW-FZKQIMNGSA-N 448.317 4.110 5 20 IIBD Cc1cc(-c2noc([C@@H](C)NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)n2)ccc1F 488183079 PVXZRSHTQCUIGM-SNVBAGLBSA-N 436.346 4.185 5 20 IIBD C[C@]1(c2ccc(Br)cc2)CC(=O)N(Cc2c(Cl)cccc2[N+](=O)[O-])C1=O 489187104 JLQPIUQKTQYTFC-GOSISDBHSA-N 437.677 4.228 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CSc3ncnc4c3cnn4Cc3ccccc3)n2)c1 489806616 DZGGRLWNDRWBDD-UHFFFAOYSA-N 445.464 4.125 5 20 IIBD C[C@@H](O)C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)c1ccccc1 490586817 QELVQZQSIKRLSP-NQIIRXRSSA-N 433.508 4.491 5 20 IIBD CCN1CCN(c2ccc(N[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c(C)c2)CC1 493977462 PEQKNVCATUBMHH-INIZCTEOSA-N 445.951 4.138 5 20 IIBD O=[N+]([O-])c1cc2c(c(CS(=O)(=O)C(c3ccccc3)c3ccccc3)c1)OCOC2 498638245 LGHYTWZTQOIPOI-UHFFFAOYSA-N 425.462 4.166 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 498846440 QUDGSYOZGFXDLD-SCLBCKFNSA-N 438.452 4.277 5 20 IIBD CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](c1ccc(Cl)cc1)c1cnccn1 501059684 ODSJTFFRAFSUFK-NRFANRHFSA-N 425.876 4.088 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cc(Br)ccc1OC(F)F 506150426 UNNORBJOXWSPEY-UHFFFAOYSA-N 446.204 4.289 5 20 IIBD Cc1cc(NC(=O)C2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)CC2)no1 506279744 HCEVXWONBWSBHB-UHFFFAOYSA-N 426.498 4.470 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1 506758651 REGFGBRGDUZISE-UHFFFAOYSA-N 439.365 4.130 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCCO[C@@H]2CCCC[C@H]2C)cc1[N+](=O)[O-])c1ccccn1 507356588 HSSLKALPJGNVIM-HYFFOGBASA-N 426.517 4.488 5 20 IIBD Cn1c([C@@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)c2ccccc2)nc2ccccc21 508080178 TZKIBJVNAJSXGG-QFIPXVFZSA-N 430.464 4.227 5 20 IIBD CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 508457061 NJLUMQAKOMLVLW-UGSOOPFHSA-N 447.438 4.134 5 20 IIBD COc1cc(CCNC(=O)c2ccc(Cl)c(Br)c2)c([N+](=O)[O-])cc1OC 509680589 HKMMKJDWWWWJCY-UHFFFAOYSA-N 443.681 4.000 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 511398006 YNWJFWCANJJZCL-WBVHZDCISA-N 435.402 4.313 5 20 IIBD O=C(CSc1nc2cc(Br)cnc2[nH]1)Nc1ccc([N+](=O)[O-])cc1Cl 511867664 GFDXHHHYAAAPNL-UHFFFAOYSA-N 442.682 4.013 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F 514574402 GTFSJTUKLCRCAW-UHFFFAOYSA-N 449.341 4.476 5 20 IIBD C[C@@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1Cl 515633423 LOBFJTPEZYNDLL-CYBMUJFWSA-N 437.905 4.064 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NCCc2cccc(O)c2)c([N+](=O)[O-])c1 516387505 WNABPPASOVFENT-UHFFFAOYSA-N 441.509 4.170 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(Oc2ccc(F)cc2F)CC1 518833845 ZILYYRQKASFMMR-LBPRGKRZSA-N 440.830 4.364 5 20 IIBD C[C@@H]1CCCCN1C[C@@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 522842986 XERDCWMVUKFGSV-CABCVRRESA-N 426.464 4.315 5 20 IIBD O=C(c1csc(-c2ccccc2Cl)n1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 524572179 NKDLZWHAUFZQIJ-GFCCVEGCSA-N 429.889 4.093 5 20 IIBD CC(C)(C)c1nc2cc(NC(=O)C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)ccc2o1 524808824 FAODEPPWHIKMGT-UHFFFAOYSA-N 438.484 4.111 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1cc(Br)ccc1OC 525003592 MDQLZMCNSAFEIX-JTQLQIEISA-N 441.303 4.494 5 20 IIBD O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1c[nH]c2cccc([N+](=O)[O-])c12 534982765 FMOLTKCDWLIWHJ-HNNXBMFYSA-N 432.402 4.099 5 20 IIBD O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCOCC12CCCC2 536494935 XWOBRUDRTNKVPI-UHFFFAOYSA-N 441.450 4.002 5 20 IIBD CC(C)S(=O)(=O)c1ccc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cc1 538252107 SUMUFQSAYZKKKM-UHFFFAOYSA-N 445.522 4.177 5 20 IIBD COc1ccc2ccccc2c1-c1cc(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)on1 538690907 XOPPZLHAHGEZNM-UHFFFAOYSA-N 445.479 4.129 5 20 IIBD COc1ccc(CSCC(=O)Nc2cccc(CCN3CCCC3)c2)cc1[N+](=O)[O-] 538802076 CNWULCGLNATWCT-UHFFFAOYSA-N 429.542 4.114 5 20 IIBD O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1 538924368 IEDKLGFGLDLVMK-UHFFFAOYSA-N 444.535 4.141 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCN2CCOc3cccc1c32 539991184 OYCZKCFBGVBQMR-UHFFFAOYSA-N 430.464 4.066 5 20 IIBD COc1ccc2ccccc2c1-c1cc(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)on1 540858686 QTJCTCCSXOUTHM-UHFFFAOYSA-N 429.388 4.208 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)c1ccc(OC2CCCC2)c(OC)c1 541315199 VPGLBNYCEHXROZ-HNNXBMFYSA-N 443.500 4.494 5 20 IIBD CCOc1cccc2cc([C@@H](C)NCCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)oc12 542587694 UIXZUNMWEREWPS-CQSZACIVSA-N 425.441 4.389 5 20 IIBD CCN([C@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] 546768500 DJUNCTASWBCAIK-JOCHJYFZSA-N 425.510 4.240 5 20 IIBD COc1cc(Cc2noc(CCc3nnc(-c4cc5ccccc5o4)o3)n2)ccc1[N+](=O)[O-] 547200386 LUSCMYGFULDPPY-UHFFFAOYSA-N 447.407 4.159 5 20 IIBD CN(C)[C@@H](CN[C@@H](c1ccc([N+](=O)[O-])cc1)c1nccn1C)c1cccc(C(F)(F)F)c1 552066425 JFVKRFUCJDLZMG-PMACEKPBSA-N 447.461 4.329 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(Cl)cccc3n2)cc1OC 553099408 QYFYBMCFDBFUAU-UHFFFAOYSA-N 431.832 4.083 5 20 IIBD Cc1c(C(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)nnn1-c1cccc([N+](=O)[O-])c1 553906421 FIUXKXNVYLXILQ-GOSISDBHSA-N 443.916 4.144 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(F)c(Cl)cc1N1CCOCC1 554799650 QLDRMUHDOIRUON-LBPRGKRZSA-N 439.896 4.343 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](CN2CCCC[C@@H]2C)C1 555886322 OHZSACPCEVVZIH-GOEBONIOSA-N 438.366 4.392 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc(-c4ccoc4C)no3)cc2)cc1[N+](=O)[O-] 562119893 NOKLIMYTXGUYMW-UHFFFAOYSA-N 440.437 4.322 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(OC)c(OC)cc2Br)c1 580348520 NMTKMRGHICXUCI-UHFFFAOYSA-N 425.235 4.026 5 20 IIBD CC[C@@H](C)NS(=O)(=O)Cc1cccc(NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 600857167 KJDRJZFQZPZZTP-CYBMUJFWSA-N 445.463 4.444 5 20 IIBD COc1cc(C(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)c([N+](=O)[O-])cc1OC 602233843 WZLJUNDOMAOTHH-UHFFFAOYSA-N 435.408 4.190 5 20 IIBD COc1cc(C(=O)N(Cc2csc(C)n2)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC 603774260 JUOZCQVCYOXSEL-UHFFFAOYSA-N 431.445 4.363 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1Cl)NCc1cccc(COCc2ccco2)c1 603900338 BHUHRRPIISSILO-UHFFFAOYSA-N 430.844 4.253 5 20 IIBD Cc1ccc(NC(=O)c2ccccc2)cc1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] 603977599 AQMZPCNYECFWTE-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 604078057 WPLDKXTWRHOASD-UHFFFAOYSA-N 434.374 4.196 5 20 IIBD COc1cc(OC)c(C2CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)CC2)c(OC)c1 604086652 ZVHOIPDJBIDVTF-UHFFFAOYSA-N 439.468 4.122 5 20 IIBD Cn1cc(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 604302681 MYVLVTSYZXLDGY-INIZCTEOSA-N 431.452 4.156 5 20 IIBD C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 604309591 QAKVQFUMOWBTQB-QGZVFWFLSA-N 445.523 4.051 5 20 IIBD COc1cc([C@@H](C)NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)ccc1OC(C)C 609548309 VRJUYRBIKGONKF-CYBMUJFWSA-N 425.441 4.135 5 20 IIBD C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 609599754 CKCQNLDPDOHBIC-AWEZNQCLSA-N 435.509 4.205 5 20 IIBD Cc1cc(S(=O)(=O)N(Cc2cccc(Br)c2)C2CC2)ccc1[N+](=O)[O-] 609674104 ZZQMHUWIVDXXIP-UHFFFAOYSA-N 425.304 4.019 5 20 IIBD O=[N+]([O-])c1ccc(Oc2ccc(CNC[C@H]3CNc4ccnn4C3)cc2F)c(Cl)c1 609805072 OZIKQTTXWFYRFV-AWEZNQCLSA-N 431.855 4.208 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F 610149194 SUJFYQOXDCGCNZ-UHFFFAOYSA-N 447.822 4.158 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1 610192425 AGOOVVRPROMZAP-UIFIKXQLSA-N 426.469 4.329 5 20 IIBD COc1ccc([N+](=O)[O-])c(N2CCC(C(=O)Nc3cccc(Br)c3)CC2)c1 610277699 WRKXPEBWAIAZJA-UHFFFAOYSA-N 434.290 4.221 5 20 IIBD O=C1[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)CCN1c1ccc(C(F)(F)F)cc1 610278308 FGPIMNLFSRKOHB-CYBMUJFWSA-N 431.317 4.432 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(Cc3cn4cc(Br)ccc4n3)CC2)cc1 610370996 YCJQWAYHYWATTI-UHFFFAOYSA-N 431.290 4.048 5 20 IIBD C[C@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1)S(=O)(=O)c1ccc(F)cc1 610389439 AFWZNUYQJYWBBZ-MRXNPFEDSA-N 442.468 4.130 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(=O)N[C@H]1CCC(F)(F)C1 610937690 HAJRICKHCBQRFP-JTQLQIEISA-N 427.454 4.050 5 20 IIBD C[C@@H](OC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C(=O)NC(c1ccccc1)c1ccccc1 725935999 QEIXHFQILIOIJV-CQSZACIVSA-N 440.402 4.324 5 20 IIBD COc1ccccc1-c1c[nH]cc1C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 726053129 BWHIEDDBNASADR-UHFFFAOYSA-N 429.816 4.047 5 20 IIBD COC(=O)N1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1 726556973 UGBHOEYPNJLEST-CQSZACIVSA-N 449.916 4.360 5 20 IIBD Cc1csc(Nc2cccc(NC(=O)c3nnn(-c4cccc([N+](=O)[O-])c4)c3C)c2)n1 729335768 DBPGTUPSFMSONE-UHFFFAOYSA-N 435.469 4.245 5 20 IIBD C[C@@H](NC1(CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCOCC1)c1ccccc1 733615160 USSNQLMNGQXDQI-OAHLLOKOSA-N 432.908 4.270 5 20 IIBD COc1cc(C(=O)Oc2cccc(NC(=O)c3ccco3)c2)c([N+](=O)[O-])cc1OC(F)F 734327562 KCFJPUQYFIGYGL-UHFFFAOYSA-N 448.334 4.269 5 20 IIBD COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cc1NC(=O)C1CCCCC1 734780633 SSLKFFFYNLSPJT-UHFFFAOYSA-N 440.500 4.441 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCCc2ccc([N+](=O)[O-])cc21 736019224 QXNIGICIYCFSEO-UHFFFAOYSA-N 438.362 4.303 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)cc([N+](=O)[O-])c1 736194976 IKPNNTDMJKYVDT-UHFFFAOYSA-N 433.420 4.135 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2cccc(Oc3nccs3)c2)c([N+](=O)[O-])c1 736924686 KXAZMFUYCHTTSW-LBPRGKRZSA-N 443.437 4.036 5 20 IIBD Cc1cc(C)c(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2Br)c(Cl)c1 740423618 TWYSUNMPDQWGOQ-UHFFFAOYSA-N 441.665 4.423 5 20 IIBD O=C(CNC(=O)N1CCc2ccccc2C1)OCc1nc2ccccc2c2ccccc12 740976803 GXRPGYVFPXUEIR-UHFFFAOYSA-N 425.488 4.199 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)[C@@H](O)CCc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 741007537 VBOHNTZTUWJESW-XZOQPEGZSA-N 448.475 4.120 5 20 IIBD C[C@@H](OC(=O)c1cc(OC2CCCCC2)c(F)cc1N)C(=O)Nc1ccccc1[N+](=O)[O-] 741034709 XJGHKGUZEDCBNC-CYBMUJFWSA-N 445.447 4.212 5 20 IIBD CC(C)(C)OC(=O)NCCNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 742467184 UJYYFFMAGVDSKQ-UHFFFAOYSA-N 448.907 4.115 5 20 IIBD NC(=O)c1c(Cl)cccc1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 742832421 WLALJANUXBJFMO-UHFFFAOYSA-N 433.795 4.097 5 20 IIBD CCOc1cc(N2CCC(OC(=O)Cc3ccc(C)c(OC)c3)CC2)ccc1[N+](=O)[O-] 744205239 WJXANHABEKHHCY-UHFFFAOYSA-N 428.485 4.065 5 20 IIBD C[C@H](OC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(=O)c1ccc(Br)cc1 744615428 QHTFDPFPLQTCBK-LBPRGKRZSA-N 431.242 4.127 5 20 IIBD CN(CC(=O)OCC(=O)N1c2ccccc2CCc2ccccc21)c1ccccc1[N+](=O)[O-] 745615172 KUCWGVOFYZHBPM-UHFFFAOYSA-N 445.475 4.038 5 20 IIBD O=C(Nc1ccccc1C(=O)NCC(F)(F)F)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 746791757 RCTBAHZFWFLRCD-UHFFFAOYSA-N 435.280 4.158 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)C1c2ccccc2-c2ccccc21 747889809 CTSAILFBLUHFJV-UHFFFAOYSA-N 429.476 4.273 5 20 IIBD COc1cc(OC)cc(N2CC[C@@H](Sc3nc4ccc([N+](=O)[O-])cc4s3)C2=O)c1 748614873 LAMDOWKOBLXVAF-MRXNPFEDSA-N 431.495 4.119 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1[C@H]1NC(=S)NC(C)=C1C(=O)Nc1cccc(Cl)c1 748690297 WOHZJSFLJOYQCX-GOSISDBHSA-N 446.916 4.078 5 20 IIBD COc1cc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])ccc1NC(=O)c1cccnc1 749907279 WNNBBMFGQMPCBC-UHFFFAOYSA-N 426.816 4.156 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)[C@H]2OCCc3ccccc32)c2ccccc2)c([N+](=O)[O-])c1 750079822 UXOREPLBPWDITG-PKTZIBPZSA-N 446.459 4.440 5 20 IIBD Cc1ccc(NC(=O)c2nnc(COC(=O)c3cccc(Cl)c3[N+](=O)[O-])s2)cc1 750536201 YFGFYCUYIRINSD-UHFFFAOYSA-N 432.845 4.017 5 20 IIBD Cn1ccnc1[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccc(Cl)cc1 751069638 BVYYYMBFKYXCAT-INIZCTEOSA-N 449.692 4.264 5 20 IIBD O=C(COC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(OC(F)F)cc1 751643370 IMTUNZWHTHOABT-UHFFFAOYSA-N 446.815 4.124 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NC[C@@]3(O)CCc4ccccc43)cc2[N+](=O)[O-])n1 752561789 ITXRFJRYCGWIAI-NRFANRHFSA-N 441.534 4.075 5 20 IIBD CCN(Cc1cccc(-c2ccncc2)c1)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O 752792943 NBFMGEAKWOISEU-UHFFFAOYSA-N 431.496 4.378 5 20 IIBD Cc1csc(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1Br 753651844 MXBUVWKTIRTMPR-UHFFFAOYSA-N 433.667 4.176 5 20 IIBD Cc1csc(C(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)c1Br 753957687 TZILJHJJBCJSPM-UHFFFAOYSA-N 440.319 4.196 5 20 IIBD CN(CCOc1ccccc1Cl)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754977600 PYFKGYHDZXSKFL-UHFFFAOYSA-N 431.645 4.301 5 20 IIBD COC(=O)[C@@H]1CCCC[C@@H]1OC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 755807715 WEOLUMZDLKOKPC-NBQZKYEYSA-N 427.457 4.052 5 20 IIBD COC(=O)c1cc(COC(=O)c2cc([N+](=O)[O-])c(Br)cc2F)c(C)s1 757089150 BSTNHQSVLNLDJV-UHFFFAOYSA-N 432.223 4.010 5 20 IIBD C[C@H](c1ccc(-n2cncn2)cc1)N(C)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 757782420 ZIJREROILUPNES-LLVKDONJSA-N 436.350 4.300 5 20 IIBD O=C(N[C@@H](CCO)c1cccs1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 761922390 FYMGCNAEAHJGNZ-ZDUSSCGKSA-N 441.296 4.002 5 20 IIBD Cc1nn(-c2ccccc2)c2ncc(-c3nc(CCNc4ccccc4[N+](=O)[O-])no3)cc12 761968897 NBWRMSGPRBRQME-UHFFFAOYSA-N 441.451 4.342 5 20 IIBD O=C(Nc1ccccc1C(=O)NCC1(CO)CCCCC1)c1ccc([N+](=O)[O-])cc1Cl 762770697 ZOECSKQFDNDAGL-UHFFFAOYSA-N 445.903 4.173 5 20 IIBD O=C(Nc1cccc(CC[C@@H](O)c2ccccc2)c1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 762994258 NCSFVANJJTUTBQ-HSZRJFAPSA-N 443.463 4.094 5 20 IIBD CC(C)(C)OC(=O)NCC1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 765021774 VJCQXQZLNUPDLI-UHFFFAOYSA-N 442.516 4.310 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 765062378 TVDPOLZMWPLLGB-SJLPKXTDSA-N 442.516 4.308 5 20 IIBD COc1cc(COC(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)c([N+](=O)[O-])cc1F 766201806 RQUBAVYFMIWLRA-UHFFFAOYSA-N 446.822 4.211 5 20 IIBD CCN([C@@H](c1cccnc1)c1ccc(F)c(C)c1)S(=O)(=O)c1csc([N+](=O)[O-])c1 768854353 SPHZBEZPOGUKET-LJQANCHMSA-N 435.502 4.299 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C(F)(F)F)o1 770476280 FJZWKUHALLLORW-UHFFFAOYSA-N 440.252 4.329 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1cc(F)c(N2CCCCC2)c(F)c1 770664186 YDTGWKAQIMJCFC-UHFFFAOYSA-N 430.415 4.061 5 20 IIBD CCOc1cc(-c2noc(-c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)n2)cc(Cl)c1O 771107067 BAGDFGXVQFVPBU-UHFFFAOYSA-N 427.804 4.255 5 20 IIBD CC(C)(C)OC(=O)N1CCc2ccc(NCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2C1 775037972 QRSQRKRPBNIEHN-UHFFFAOYSA-N 428.445 4.408 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 775297022 IYNNAHXBLNCJJD-UHFFFAOYSA-N 449.916 4.047 5 20 IIBD COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cc1N1CCOC1=O 775492060 MQAFYOIZQIKAEZ-UHFFFAOYSA-N 431.470 4.313 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)O[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O 776366942 VWBZRHPCDXWXQS-QGZVFWFLSA-N 436.386 4.270 5 20 IIBD CSc1cccc(C(=O)N2C[C@@H]3[C@@H](CCC[C@H]3NC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] 776905197 BHNLOJFIQFOWDT-NUEKZKHPSA-N 435.546 4.082 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCNc1ncnc2sccc12 777313633 QJFKTCOADBUSAK-UHFFFAOYSA-N 431.543 4.334 5 20 IIBD O=C1c2ccccc2C(=O)N1c1ccc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc1 777982654 FXLDVXTYULOELU-UHFFFAOYSA-N 437.358 4.126 5 20 IIBD O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1cc(Cl)ccc1[N+](=O)[O-] 778005382 NKDSTPDQCJDXPS-CQSZACIVSA-N 428.659 4.090 5 20 IIBD O=[N+]([O-])c1ccccc1OCCOc1c([N+](=O)[O-])cnc2ccc(Br)cc12 780813382 HIRXHZHRAMFCAJ-UHFFFAOYSA-N 434.202 4.272 5 20 IIBD CCc1c(C(=O)COC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[nH]c(C)c1C(C)=O 781260533 WLJLTZVCNGWMCW-UHFFFAOYSA-N 430.460 4.123 5 20 IIBD C[C@H](OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)Nc1cccc2ncccc12 781268577 OEIPUDXFBXISRA-HNNXBMFYSA-N 437.455 4.414 5 20 IIBD O=C(NCc1ccc(N2CCCC2=O)cc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 782063449 XTNIAWBJJAYWHB-UHFFFAOYSA-N 445.475 4.231 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC(c2c[nH]c3ncccc23)CC1 782166553 JAIMHBYDRFSOIY-UHFFFAOYSA-N 429.274 4.253 5 20 IIBD CN(CCCc1cc(-c2ccccc2)n[nH]1)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F 782483119 LUUXVUWHKXBYAN-UHFFFAOYSA-N 425.464 4.017 5 20 IIBD Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C 785250220 VEJHTPJYTIXOGG-KRWDZBQOSA-N 447.923 4.020 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1C(=O)N1CCCCC1 785838158 BCPSXFZJVVBRLL-UHFFFAOYSA-N 440.456 4.307 5 20 IIBD Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)N(C)C 785858164 QQKMLWHHJRALHJ-KPZWWZAWSA-N 438.297 4.226 5 20 IIBD O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791175236 XYCWPSCLWZOGID-UHFFFAOYSA-N 440.637 4.117 5 20 IIBD CC(C)(C)c1cnc(CCC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)o1 791245524 REMATKCUEUTPTD-UHFFFAOYSA-N 436.306 4.160 5 20 IIBD Cc1nc2cc(NS(=O)(=O)c3cc(Br)c(F)cc3[N+](=O)[O-])ccc2s1 795348565 OTGOZUAQXAPCMB-UHFFFAOYSA-N 446.279 4.215 5 20 IIBD O=C(Cc1ncccc1F)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 795788424 LWMMWNIDXIRNAE-HXUWFJFHSA-N 443.818 4.248 5 20 IIBD Cc1cc(OCC(=O)Oc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)ccc1[N+](=O)[O-] 797512475 TZFNSHZRLUNXHT-HNNXBMFYSA-N 430.457 4.473 5 20 IIBD C[C@@H](OC(=O)C(C)(C)c1ccccc1Br)C(=O)Nc1ccccc1[N+](=O)[O-] 798729753 OTMLXENVHKCBSP-GFCCVEGCSA-N 435.274 4.205 5 20 IIBD C[C@H](Sc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 800839210 ZRTSPFGOQUYJIA-AWEZNQCLSA-N 425.466 4.237 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 803408771 MMFSDAZJLMKAKV-UHFFFAOYSA-N 443.403 4.315 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NCc2coc(-c3cccs3)n2)c1Cl 809392494 TYUGVAZGIICTNR-UHFFFAOYSA-N 434.282 4.097 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCCN2c3ccccc3C[C@H]2C1 809883776 SEIRKIOFVASDJB-HNNXBMFYSA-N 431.290 4.026 5 20 IIBD CC(C)(C)CN(CC(C)(C)C)C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810398036 FXZUPHDPXHIIBK-UHFFFAOYSA-N 428.327 4.217 5 20 IIBD Cc1nc(-c2cnn(C)c2)sc1C(=O)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F 815209489 AIGMQFWYSUHHOB-UHFFFAOYSA-N 426.376 4.136 5 20 IIBD C[C@H](c1nn(CN(C)Cc2ccccc2[N+](=O)[O-])c(=S)n1-c1ccc(F)cc1)N(C)C 914783531 PPRLOALFGYYKNI-OAHLLOKOSA-N 444.536 4.163 5 20 IIBD Cc1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])ccc2I)C2CC2)cc1 915280213 DUSOQKMEWNXUSJ-KRWDZBQOSA-N 436.249 4.389 5 20 IIBD COC(=O)c1cccc(OC)c1OC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 917403536 FXLMLDKXYBYBMH-UHFFFAOYSA-N 445.371 4.107 5 20 IIBD Cc1ccc(C(=O)Nc2cccc(CNC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)c2)cc1 917791464 QXVCVKVZTQFUAA-UHFFFAOYSA-N 448.435 4.302 5 20 IIBD COc1cc(C2SCCS2)ccc1OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 921276060 ICTAPDNAYMQBRP-UHFFFAOYSA-N 443.506 4.487 5 20 IIBD O=C(c1ccc(-c2ccc(F)cc2)s1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1251283959 WVMVBRUMBBSLLQ-UHFFFAOYSA-N 425.485 4.420 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ccc(SC(F)(F)F)cc1 1318898852 ZGZXRTOKTJTOGI-UHFFFAOYSA-N 433.795 4.229 5 20 IIBD Cn1cc(CSCc2cc(I)cc([N+](=O)[O-])c2)c(C(F)F)n1 1324220843 LRJYJJWKGCMPRI-UHFFFAOYSA-N 439.225 4.304 5 20 IIBD O=C(c1cc(Br)c(Br)[nH]1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 1337103650 JISBCAIUKHBISR-UHFFFAOYSA-N 443.095 4.253 5 20 IIBD COc1ccccc1-c1nnc(COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)o1 1339680425 FBXQXZRERCYCJB-UHFFFAOYSA-N 438.440 4.001 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(-c2ccco2)n1C[C@@H]1CCCCO1 1525907948 QRHFCLXMQAHAAI-IBGZPJMESA-N 425.489 4.430 5 20 IIBD COc1ccc(NC(=O)N(CCCOc2ccccc2)C2CCOCC2)c([N+](=O)[O-])c1 1526694292 RLJWHFLSRLFUKC-UHFFFAOYSA-N 429.473 4.085 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ncccc4C)cc3)CCC2)ncc1[N+](=O)[O-] 1786499568 ZZOHYQJRRJPCTA-UHFFFAOYSA-N 445.479 4.063 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])NC1(c2ccc(NC(=O)[C@@H]3CC3(F)F)cc2)CCC1 1789137538 IUNKWKLLIDPZQH-QKIXSCASSA-N 441.434 4.397 5 20 IIBD Cc1c(Cl)cccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(F)c1[N+](=O)[O-])C2 1792745051 IJYDYRBRZQKSMT-QDMKHBRRSA-N 445.878 4.261 5 20 IIBD Cc1ccc(F)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(F)ccc([N+](=O)[O-])c1C 1800696977 HCGVBEGVILPUIM-BJWYYQGGSA-N 443.450 4.055 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCC2(CCCN(C(=O)c3cccs3)C2)CC1 1808070618 JYTIWOHLMIMSPO-UHFFFAOYSA-N 445.516 4.262 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(C)c([N+](=O)[O-])c2)n[nH]1 1820916293 ONRPMVPAAGCBBE-HNAYVOBHSA-N 441.532 4.297 5 20 IIBD Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(C)CCCC3)CC2)ncc1[N+](=O)[O-] 1823845515 KTVTYNKSXRLCKW-HXUWFJFHSA-N 442.560 4.112 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 1824350359 ZZXXFQXBRHHNLC-HTAPYJJXSA-N 447.551 4.332 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC([C@H]2CCCCN2C(=O)C2CCCC2)CC1 1826256242 UAOMAFDXCDBQFL-OAQYLSRUSA-N 431.508 4.157 5 20 IIBD O=C(C1=CCCC1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830617267 WPFLQSHBYZSIHZ-FQEVSTJZSA-N 429.492 4.078 5 20 IIBD Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC12CN(C(=O)c1cccc(F)c1[N+](=O)[O-])C2 1842453674 WNFMEDMSDJZQKH-UHFFFAOYSA-N 443.475 4.064 5 20 IIBD O=C(c1cccc2ccccc12)N1CC2(CCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])C1 1845405483 SGWIIWWMIMOFJL-UHFFFAOYSA-N 433.439 4.018 5 20 IIBD Cc1ccc(-c2ccccc2C(=O)N2CCCC23CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C3)cc1 1845443763 WBQXERCVFOZIKN-UHFFFAOYSA-N 444.491 4.029 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cc(Cl)ccc1[N+](=O)[O-] 9904531 DJYATSLRKIRRGK-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD CCOc1ccc(NC(=O)COc2ccccc2C(=O)Nc2ccccc2)c([N+](=O)[O-])c1 10733145 OJISSLDPIDSXFH-UHFFFAOYSA-N 435.436 4.263 5 20 IIBD Nn1c(COc2c(Cl)cccc2Cl)nnc1SCc1ccc([N+](=O)[O-])cc1 10918259 VONKPIIJCGVIPC-UHFFFAOYSA-N 426.285 4.078 5 20 IIBD O=C(CNc1ccc(F)c([N+](=O)[O-])c1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 11161487 WRHBBBAJRHYTAO-UHFFFAOYSA-N 426.379 4.176 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc2ccccc2c(=O)n1CCC(C)C 11206012 ZXAWJNNWSUNKIX-UHFFFAOYSA-N 440.525 4.390 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1 14099821 CHGWFMHYSDIAHP-UHFFFAOYSA-N 437.429 4.444 5 20 IIBD CCc1ccc(-c2noc(COC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)n2)cc1 17727211 KTICPRAVAUEJQA-UHFFFAOYSA-N 436.468 4.167 5 20 IIBD C[C@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 22173997 ZEGRPUPBDBFAMA-ZETCQYMHSA-N 433.437 4.159 5 20 IIBD CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 23261575 UHTGZBVABXOEPI-UHFFFAOYSA-N 448.504 4.268 5 20 IIBD CCOc1cc(CN(C)c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])ccc1OC(F)F 25567676 MDFCRFADQFLOFR-UHFFFAOYSA-N 435.427 4.124 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1F 28915999 PAGDGLMHDVSHEK-UHFFFAOYSA-N 431.445 4.155 5 20 IIBD COc1ccc(Cl)cc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 104587710 BVOXVQOGHGHNOZ-UHFFFAOYSA-N 447.875 4.043 5 20 IIBD CCCC[C@H](NC(=O)c1csc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 116555726 AZCOYAVAYLLWJI-SFHVURJKSA-N 430.530 4.184 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N2CCc3[nH]c4ccc(Cl)cc4c3C2)c([N+](=O)[O-])c1 301125423 YJVOALFACCJUEZ-UHFFFAOYSA-N 435.871 4.257 5 20 IIBD Cc1nc(-c2ccc(S(=O)(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)s2)cs1 427804695 CVQGTFUUGSNHES-UHFFFAOYSA-N 435.552 4.442 5 20 IIBD CC(=O)N(Cc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1)C(C)C 431468319 DJDPHRAJNHOQTK-UHFFFAOYSA-N 434.290 4.367 5 20 IIBD CCCc1c(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)cnn1-c1ccc(C)cc1 432544975 GVFXSVQLKLKHLZ-UHFFFAOYSA-N 449.511 4.130 5 20 IIBD C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1nc(-c2ccncc2)cs1 433198198 WSCULRDLTLVPFX-SNVBAGLBSA-N 433.287 4.367 5 20 IIBD CCS(=O)(=O)Nc1ccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1C 436080256 UQWJVCSWOXETKQ-UHFFFAOYSA-N 435.505 4.004 5 20 IIBD CCOC(=O)Cn1ccc2cc(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)ccc21 436251344 ILCWPEZXTMVXNA-UHFFFAOYSA-N 439.471 4.451 5 20 IIBD COc1cc(-c2nc(-c3cccc(Cn4nc(C)cc4C)c3)no2)cc([N+](=O)[O-])c1OC 438737441 MUSAEZFGUPTDJI-UHFFFAOYSA-N 435.440 4.191 5 20 IIBD CN1CCN(c2ccc(NC(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])cn2)CC1 440417332 CZQKSNQQVDTXTQ-UHFFFAOYSA-N 449.536 4.145 5 20 IIBD CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 443951578 KKMPIOIWXHHFHV-QGZVFWFLSA-N 443.523 4.375 5 20 IIBD O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 444288133 NVKBMLVAWGUNCZ-HNNXBMFYSA-N 435.886 4.483 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1cccc(C[S@@](=O)c2ccccc2)c1 444898105 OOMVPFWUPMHCAM-JGCGQSQUSA-N 449.492 4.101 5 20 IIBD Cc1cnn(-c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Br)cc2F)c1 446047769 RGWUOOSUQARXDA-UHFFFAOYSA-N 433.237 4.172 5 20 IIBD O=C1C[C@@H](C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])c2ccc(F)cc2N1 446433981 FVXBNPCZABAOCJ-GOSISDBHSA-N 435.411 4.377 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OC(F)F)c(F)c2)c(C(F)(F)F)c1 446991097 VLPLRBLJADBPFA-UHFFFAOYSA-N 430.282 4.155 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N(CCc2ccc(F)cc2)C2CC2)c(C(F)(F)F)c1 447021003 NWSIKKQVQNKFQF-UHFFFAOYSA-N 432.395 4.149 5 20 IIBD Cc1cc(C[C@H](C)NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)n(-c2ccccc2)n1 448191577 UUPHVKBSBOECLM-SFHVURJKSA-N 447.539 4.053 5 20 IIBD COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)ccc1OC(C)C 463789650 VLJRLLUAQDLYOW-UHFFFAOYSA-N 434.392 4.210 5 20 IIBD COc1cc(CNc2ccc(C(=O)NCc3ccccc3F)cc2)c([N+](=O)[O-])cc1F 464087998 CPIVTIHUROJMDP-UHFFFAOYSA-N 427.407 4.424 5 20 IIBD COc1ccc(Br)cc1CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl 466582448 YJHFLJCPGFKHRR-UHFFFAOYSA-N 428.670 4.019 5 20 IIBD CCN(Cc1ccccc1Br)C(=O)c1cc([N+](=O)[O-])ccc1SCCO 467813790 NQUQJORDHHEQEN-UHFFFAOYSA-N 439.331 4.104 5 20 IIBD O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)NCCCCc1ccc([N+](=O)[O-])cc1 469672881 MTUCPFYCFGOAIG-UHFFFAOYSA-N 428.876 4.370 5 20 IIBD COc1ccccc1[C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)OC(C)C 474144790 LVWZDIBAUQAPER-QFIPXVFZSA-N 427.501 4.444 5 20 IIBD CCOc1ccc(-n2c(SCc3c([N+](=O)[O-])ncn3C)nnc2-c2ccccc2)cc1 476462119 QXNAEJYIIBDIPM-UHFFFAOYSA-N 436.497 4.267 5 20 IIBD COc1ccc(OC[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)cc1[N+](=O)[O-] 478405086 YYVRKYNJZWIRCI-LJQANCHMSA-N 445.418 4.428 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c1C 480993022 PYAHDVHJJLZXSN-KRWDZBQOSA-N 434.905 4.267 5 20 IIBD Cc1c(CNC(=O)C(=O)Nc2ccc3nc(C(C)(C)C)sc3c2)cccc1[N+](=O)[O-] 483820892 LUYFBRIYVLZURW-UHFFFAOYSA-N 426.498 4.065 5 20 IIBD C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 485609385 MAVJFYGMMSGBCA-CQSZACIVSA-N 446.935 4.236 5 20 IIBD COC(=O)c1cc(NC(=O)c2sc(Cc3ccccc3)nc2C)c(C)c([N+](=O)[O-])c1 485932979 ILDFMNQGBVXFCO-UHFFFAOYSA-N 425.466 4.298 5 20 IIBD COC(=O)c1cc(NC(=O)[C@@H](C)c2ccc(Br)s2)c(C)c([N+](=O)[O-])c1 485984352 RSBWGWAYABUJAJ-VIFPVBQESA-N 427.276 4.256 5 20 IIBD COc1ccc(C(C)(C)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1OC 486701210 KLEZGPHHVLJXKC-UHFFFAOYSA-N 426.391 4.225 5 20 IIBD CC(C)n1ncc2cc(S(=O)(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)ccc21 487388130 FLZOJQQZRKBLQV-UHFFFAOYSA-N 442.419 4.023 5 20 IIBD Cc1nc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)sc1Cc1ccc(F)cc1F 487589885 WKMJKSHVLSWSGL-UHFFFAOYSA-N 447.419 4.252 5 20 IIBD CCN(C(=O)c1cc(NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)ccc1Cl)C(C)C 487706028 NQCDJBRHZKMNOG-UHFFFAOYSA-N 449.891 4.388 5 20 IIBD CC(C)[C@H](C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccncc1 487750337 FHCYBILNGIHIQR-IBGZPJMESA-N 436.434 4.097 5 20 IIBD Cc1cc(C)n(-c2ccccc2CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])n1 487966188 IGNWTYFQOSZEHB-UHFFFAOYSA-N 427.892 4.093 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(N[C@H](c2ccccc2)c2cccnc2)c([N+](=O)[O-])c1 488009406 BDJZFASMFJJPDO-JOCHJYFZSA-N 440.525 4.222 5 20 IIBD CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)CCOc1ccccc1[N+](=O)[O-] 489005036 QRAAXILZYMUTNS-KRWDZBQOSA-N 427.501 4.246 5 20 IIBD COc1ccc(-n2c(SCCn3ccc([N+](=O)[O-])n3)nnc2-c2ccc(C)cc2)cc1 489449880 OUQIAZLZMWWRMB-UHFFFAOYSA-N 436.497 4.148 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O 489926358 BVYNSRPMFCTLIV-QGZVFWFLSA-N 433.917 4.238 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 490006476 AUKMXBQXEYJPDS-HKUYNNGSSA-N 443.569 4.116 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 491091673 QHIYBFRXYNOWQP-UHFFFAOYSA-N 447.904 4.034 5 20 IIBD C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 494427178 FAFHNMNIKCACNI-KDOFPFPSSA-N 436.434 4.248 5 20 IIBD CS(=O)(=O)c1cccc(Nc2cccc(COCC(F)(F)C(F)F)c2)c1[N+](=O)[O-] 497520259 ASIZBXDVVVLORE-UHFFFAOYSA-N 436.383 4.159 5 20 IIBD CS(=O)(=O)c1cccc(NCc2ccccc2COCc2ccccc2)c1[N+](=O)[O-] 497533535 NORHOTUPHRNTBY-UHFFFAOYSA-N 426.494 4.327 5 20 IIBD CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 497897183 YOGHFDPIFGIGFP-UHFFFAOYSA-N 446.385 4.263 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 498846439 QUDGSYOZGFXDLD-FZKQIMNGSA-N 438.452 4.277 5 20 IIBD CC(C)(C)c1ccc(C2(CNC(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)CCC2)cc1 499471579 ANNCAMNNCHIPEB-UHFFFAOYSA-N 444.553 4.148 5 20 IIBD CCOc1ccc(-c2csc(NC(=O)c3cc(C(=O)OC)cc([N+](=O)[O-])c3)n2)cc1 500317477 VAAVUWAQIIRXHH-UHFFFAOYSA-N 427.438 4.156 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccccc2C(F)(F)F)cc1OC 500968659 JUPSZVNGCHFVFJ-GFCCVEGCSA-N 442.390 4.138 5 20 IIBD C[C@@H](NS(=O)(=O)c1c(Cl)cc(F)cc1Br)c1cccc([N+](=O)[O-])c1 502422904 NWGUBDKLZVMRAF-MRVPVSSYSA-N 437.674 4.189 5 20 IIBD C[C@@H](c1ccccc1Br)N(C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 503676596 KZQROEBQIBNRPB-ZDUSSCGKSA-N 429.274 4.376 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 504092848 OWYPGNCKLXMRMZ-GJZGRUSLSA-N 430.530 4.358 5 20 IIBD C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 509134891 DBLHTMJISIGDOB-JTQLQIEISA-N 427.360 4.199 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(CSc2ccccn2)c1 509858241 MFAPNLXKNDYSHA-OAHLLOKOSA-N 436.493 4.039 5 20 IIBD COC(=O)c1c(F)cc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1F 512572463 HJOCSSAZIQXCDY-CHWSQXEVSA-N 447.438 4.394 5 20 IIBD Cn1ccnc1[C@@H](NCc1ccc(COCC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 514089404 PRDCXXLUOBLHPP-IBGZPJMESA-N 434.418 4.286 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)NCCCc2ccc(Br)cc2OC)c1 514617776 PRZDYYXFKATCLK-UHFFFAOYSA-N 437.290 4.127 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)Cc1noc(-c2cc(OC)c(C)c([N+](=O)[O-])c2)n1 515092382 LTKJRZQHEVUYRR-UHFFFAOYSA-N 446.847 4.113 5 20 IIBD COc1ccc(Cl)cc1C1(CNC(=O)Nc2cccc([N+](=O)[O-])c2C)CCOCC1 516756493 JCVUCNZTYGWMEC-UHFFFAOYSA-N 433.892 4.435 5 20 IIBD Cn1ccnc1[C@H]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 516814798 HAORGWBFIATEFB-IBGZPJMESA-N 428.496 4.171 5 20 IIBD CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cc(OC)ccc1[N+](=O)[O-] 518623519 BWXDFWAOXUVIRM-UHFFFAOYSA-N 430.848 4.359 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@@H](c3ccccc3)C[C@@H]2OC)cc1SC 519784519 SOXSFJSCPABUGR-SUMDDJOVSA-N 430.526 4.406 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@H](c1ccc(F)cc1)C1CCC1 520531581 RCXNULUQAXFNLZ-NRFANRHFSA-N 427.432 4.080 5 20 IIBD O=C(Nc1nc(-c2ccc(F)c(Cl)c2)cs1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 520973363 YPVWOFFDMAZINA-UHFFFAOYSA-N 444.835 4.344 5 20 IIBD O=C(NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1n[nH]c2ccc([N+](=O)[O-])cc12 521325003 NMJQJDIPSZCWJX-UHFFFAOYSA-N 448.310 4.172 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1cccc(-c2ccc3ccccc3c2)n1 521458180 OFWKRTOAGPBJBT-UHFFFAOYSA-N 440.415 4.357 5 20 IIBD COc1cc(C(=O)NCCCCN2CCC(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] 521887174 GDGVNYOCCKNJFF-UHFFFAOYSA-N 425.529 4.068 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(-c2cccc(Cl)c2)nn1CCO 524302318 XBZNWHIESFRSOV-ZDUSSCGKSA-N 446.916 4.223 5 20 IIBD CC1(C)[C@H]2OCC[C@H]2[C@H]1N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 525459883 BBPMIZRDNGROCY-QLIIJSOBSA-N 429.904 4.331 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1nccn1Cc1ccc(Br)cc1 531042045 ARFKIMZMFQLWHI-UHFFFAOYSA-N 447.314 4.333 5 20 IIBD COc1cc2c(c(OC)c1OC)CCN(c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)CC2 532883531 BFYSMJXEBQVYDQ-UHFFFAOYSA-N 426.391 4.245 5 20 IIBD O=C(Nc1ccc(Cl)cn1)C1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 534108430 TXCSIDQXJIUVRX-UHFFFAOYSA-N 441.875 4.149 5 20 IIBD O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 535554299 UFXWDUAAGXVYKF-HNNXBMFYSA-N 441.875 4.149 5 20 IIBD COc1ccc(-c2ccc(CN3CCC(CN4CCCCC4=O)CC3)o2)c([N+](=O)[O-])c1 538737252 QBRRGEKOZUULHC-UHFFFAOYSA-N 427.501 4.088 5 20 IIBD O=C(N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 539442434 XRCBUIYLAWCMGH-DOTOQJQBSA-N 446.328 4.074 5 20 IIBD COc1cc([C@@H](C)NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)ccc1OC1CCCC1 540352491 OFHPUDYAPOLSOP-MRXNPFEDSA-N 439.512 4.165 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(S(C)(=O)=O)ccc1F 540693209 FZMNZSJZLYBQOO-UHFFFAOYSA-N 426.491 4.282 5 20 IIBD CN(c1ccccc1)c1ccc(CN[C@H]2CCCN(Cc3ccccn3)C2=O)cc1[N+](=O)[O-] 542316660 XTGNMNDJAUSKQJ-QFIPXVFZSA-N 445.523 4.039 5 20 IIBD Cc1cc(-c2noc([C@@H](C)NCCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2)ccc1F 542619815 BTIKAJMCGIDJTP-CQSZACIVSA-N 427.436 4.080 5 20 IIBD C[C@H](C(=O)Nc1ccnn1Cc1ccccc1Br)c1ccc([N+](=O)[O-])cc1F 543440687 OETFMBRHUFEMQI-LBPRGKRZSA-N 447.264 4.483 5 20 IIBD C[C@@H](C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccc([N+](=O)[O-])cc1F 543463261 UPVXXWZPTAYJHF-CYBMUJFWSA-N 433.395 4.277 5 20 IIBD CC(C)O[C@@H]1C[C@H](NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1(C)C 545213435 VNWGSWJYEFZQAK-ONGXBYRLSA-N 426.517 4.485 5 20 IIBD O=c1c2ccccc2n(Cc2nc(-c3ccc(Cn4cccn4)cc3)no2)c2ccccc12 545609620 DLWBOZXMYRGNOA-UHFFFAOYSA-N 433.471 4.498 5 20 IIBD COc1cc(Cc2noc(Cc3csc(-c4cccc(F)c4)n3)n2)ccc1[N+](=O)[O-] 547198089 XXIJUTGOCDJAON-UHFFFAOYSA-N 426.429 4.431 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cc(Cl)ccn3)cc2)cc1[N+](=O)[O-] 552660662 FLOZOTAAOIFZBS-UHFFFAOYSA-N 446.872 4.005 5 20 IIBD CC(C)Sc1ccc([C@@H](C)NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 553464403 IOHBKVINKWXYFB-MRXNPFEDSA-N 441.553 4.464 5 20 IIBD COc1cc(Cc2noc(CCc3cccc(C(F)(F)F)c3)n2)c([N+](=O)[O-])c(OC)c1 554832400 QESMELTWUCJPRI-UHFFFAOYSA-N 437.374 4.390 5 20 IIBD CC(C)COc1ccc(C2(c3noc(Cn4cc([N+](=O)[O-])ccc4=O)n3)CCCC2)cc1 554840306 TUHZDVJWBJWUPP-UHFFFAOYSA-N 438.484 4.083 5 20 IIBD CCc1noc(-c2ccc(CCNC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)cc2)n1 555803041 JOZZRFGGSUUPCT-UHFFFAOYSA-N 434.374 4.199 5 20 IIBD CCc1ccc2c(c1)[C@H](CCNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)C(=O)N2 555880179 UCMZQPDBMFWGRW-AWEZNQCLSA-N 446.301 4.084 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)NCc2cccc(-c3cccnc3)c2)cc1[N+](=O)[O-] 556551107 NPXZONVCTQZDGU-UHFFFAOYSA-N 432.480 4.209 5 20 IIBD O=C(NCc1ccc(C2CCCCC2)cc1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 557445647 AROIBHQLJMLENL-IBGZPJMESA-N 425.485 4.157 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1 565446592 MEJZTHLETDBBOQ-AWEZNQCLSA-N 435.889 4.341 5 20 IIBD CC[C@]1(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])OCCc2ccccc21 567204773 DDLUTKAPIRXENJ-HXUWFJFHSA-N 438.402 4.144 5 20 IIBD COc1ccc(C[C@@H]2CCCN(C(=O)CSCc3ccc(OC)c([N+](=O)[O-])c3)C2)cc1 570867196 UDBMGFRXFQCKHN-SFHVURJKSA-N 444.553 4.327 5 20 IIBD COc1ccc([C@H](C)NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c(C)c1OC 571911966 GIUKHTGAHPSMAY-LBPRGKRZSA-N 442.390 4.353 5 20 IIBD NC(=O)c1ccc(CN2CCc3nc(-c4ccccc4Cl)sc3C2)c([N+](=O)[O-])c1 574362600 PQORMCRPYHZDKJ-UHFFFAOYSA-N 428.901 4.029 5 20 IIBD COC(=O)[C@](C)(NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 582337997 SCXPSZGUHZYGSN-JEOXALJRSA-N 425.268 4.210 5 20 IIBD COc1cc(C(=O)Nc2ccc(OCc3ccccc3)nc2)c([N+](=O)[O-])cc1OC(F)F 603971644 WBNPZDVCDXCJGZ-UHFFFAOYSA-N 445.378 4.431 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@H](CC(F)(F)F)c1ccccc1 604009678 ZNRBJLSOESROOP-OAHLLOKOSA-N 437.374 4.093 5 20 IIBD Cc1ccc(C)c(Oc2ccc(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3F)cn2)c1 604033877 SDMPSTNXVNJQAM-UHFFFAOYSA-N 431.445 4.017 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cnn(Cc3ccccn3)c2)cc1 604548885 FTHNEWATWREBNG-UHFFFAOYSA-N 445.435 4.288 5 20 IIBD COc1cc(C(=O)Nc2ccccc2NC(=O)c2cccs2)c([N+](=O)[O-])cc1OC 608810629 WYWALPTURWVKKA-UHFFFAOYSA-N 427.438 4.178 5 20 IIBD COc1ccc(CNC(=O)NC(C)(C)Cc2ccc(Br)cc2)cc1[N+](=O)[O-] 608999678 UAPAAMQAHFAKMZ-UHFFFAOYSA-N 436.306 4.186 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCC1(c2ccccc2Cl)CCOCC1 609263744 GQWSGBPUZFZEPW-UHFFFAOYSA-N 427.888 4.068 5 20 IIBD C[C@H](Oc1ccccc1NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccccc1 609652421 WSSDFNCGFDCKGF-HNNXBMFYSA-N 433.420 4.281 5 20 IIBD CCS(=O)(=O)Nc1ccccc1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609762414 INHKFTQWQHYGAP-UHFFFAOYSA-N 441.465 4.401 5 20 IIBD CCc1ccc([C@H]2COCCN2C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)o1 609869157 IIETUPDYTXFXRR-OAQYLSRUSA-N 427.501 4.200 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC(OCc2ccccc2F)CC1 611262004 HHUAGWSJTDELTE-UHFFFAOYSA-N 427.476 4.156 5 20 IIBD COc1ccc(CN(CCc2ccccn2)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 619433825 PEPZRDQPGNIRKJ-UHFFFAOYSA-N 435.480 4.015 5 20 IIBD COC(=O)[C@@H]1C[C@H](F)CN1C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 619455091 KUCXTTWJUBFGRZ-BBRMVZONSA-N 438.864 4.125 5 20 IIBD Cc1ccc(S(=O)(=O)Cc2noc(-c3ccc4[nH]c5ccccc5c(=O)c4c3)n2)cc1 685216677 BBAAPOZSKXUOBR-UHFFFAOYSA-N 431.473 4.014 5 20 IIBD COc1ccc(CNC[C@@H](O)c2cccc(F)c2)cc1OCc1ccc([N+](=O)[O-])cc1 725847596 GNJMLICPQOWTOY-OAQYLSRUSA-N 426.444 4.145 5 20 IIBD Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Br 725986166 TYVMWHIVIUATKP-CHWSQXEVSA-N 435.274 4.088 5 20 IIBD C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CNC2(c3ccc(Cl)cc3)CCCC2)C1=O 727167304 XUYYAALYUFFHAC-OAQYLSRUSA-N 442.903 4.032 5 20 IIBD O=C(CCc1nc2ccccc2o1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727330014 VOZCMYBTBPNVNX-UHFFFAOYSA-N 448.401 4.036 5 20 IIBD Nc1cc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1Oc1ccccc1 728634760 DHHRBLYPFBMIMT-UHFFFAOYSA-N 441.827 4.418 5 20 IIBD COc1ccc(NC(=O)c2nnc(/C(Cl)=C\c3ccc(OC)c([N+](=O)[O-])c3)s2)cc1 730149885 LSGWFCSEGHDIMB-NTEUORMPSA-N 446.872 4.453 5 20 IIBD COCCn1c(Sc2nc3ccc([N+](=O)[O-])cc3s2)nc2cc(Cl)ccc2c1=O 731206029 WTSLRSAGCBQGTR-UHFFFAOYSA-N 448.913 4.365 5 20 IIBD Cc1c(C(=O)Nc2cc(Br)ccc2-n2cccn2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 731331326 BQVGJQKMTIZGAS-UHFFFAOYSA-N 446.217 4.012 5 20 IIBD COc1cc(C(=O)OCCCOc2ccc(Br)cc2)c([N+](=O)[O-])cc1OC 734288729 SQOWKSVKKCMZQO-UHFFFAOYSA-N 440.246 4.000 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)O[C@@H](C)c2ccc(OC(F)F)cc2)ccc1[N+](=O)[O-] 734729361 MUNDOQVULKNUKM-LIRRHRJNSA-N 448.422 4.414 5 20 IIBD COc1ccccc1-c1nc(COC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cs1 735353321 FXERGBNWJUOYJW-UHFFFAOYSA-N 437.433 4.338 5 20 IIBD O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](c1ccccc1)N1CCCCC1=O 735601542 ZODFUMVQDMWJIS-OAQYLSRUSA-N 435.436 4.047 5 20 IIBD O=C(OCc1cccnc1Cl)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 736865299 YXUYROBWDHCZEY-UHFFFAOYSA-N 427.631 4.493 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 741002517 RDKBJUCLCNTZPW-GOSISDBHSA-N 448.859 4.240 5 20 IIBD C[C@H](OC(=O)c1cnc2ccccc2c1C(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1 744574377 SKPKSHMNTHJPMT-NSHDSACASA-N 433.342 4.346 5 20 IIBD Cc1ccc(N2CCC[C@@H](OC(=O)c3cc([N+](=O)[O-])ccc3Br)C2=O)cc1 744914395 CZMPLVMUJPVBDM-QGZVFWFLSA-N 433.258 4.018 5 20 IIBD CN(C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1)C(=O)OC(C)(C)C 746827471 YJCVWJLVHATYTR-ZDUSSCGKSA-N 445.438 4.333 5 20 IIBD C[C@@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)Nc1c(F)cccc1F 747961007 CEOJRKIFQYQBTE-SNVBAGLBSA-N 433.392 4.181 5 20 IIBD O=Cc1ccc([N+](=O)[O-])c(OCC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)c1 748150404 BAMPFJFJKHQDPE-INIZCTEOSA-N 441.490 4.287 5 20 IIBD O=Cc1ccc([N+](=O)[O-])c(OCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 748153925 FEMRTKYJHIZTOR-UHFFFAOYSA-N 436.264 4.462 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)OCC[C@H]1CCCC1=O 748168532 CEHIULWJYNKOHR-QGZVFWFLSA-N 433.464 4.293 5 20 IIBD C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H](O)c1c(F)cccc1Cl 748394176 MRIXNDZLLGTCEZ-AYVTZFPOSA-N 431.645 4.002 5 20 IIBD CCc1c(C(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)cnn1-c1ccc(C)cc1 749359001 OSAQPIVZDTZWRH-UHFFFAOYSA-N 449.511 4.120 5 20 IIBD CNC(=O)c1cc(Oc2cc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])ccc2C)ccn1 750079870 MMPZGYSWKVOMEO-UHFFFAOYSA-N 440.843 4.356 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 750142668 YUFBFMPEWZKEGZ-UHFFFAOYSA-N 439.449 4.013 5 20 IIBD C[C@@H](OC(=O)c1cccc(Cl)c1[N+](=O)[O-])C(=O)N(C)Cc1c(F)cccc1Cl 750541007 LHZUNKXAVBDWFM-SNVBAGLBSA-N 429.231 4.245 5 20 IIBD C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H](O)c1c(F)cccc1Cl 751069120 ARTYYCSWOGVQEY-AYVTZFPOSA-N 431.645 4.002 5 20 IIBD CCCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)[C@H]1CCCN(Cc2ccccc2)C1 751167665 PEJHLCJYXKVCMV-FQEVSTJZSA-N 440.500 4.328 5 20 IIBD C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)cc1 752974916 DNEHCSRMTCHTJQ-CYBMUJFWSA-N 437.905 4.064 5 20 IIBD O=C(COC(=O)c1c(F)cc(Br)cc1F)Nc1ccc(Cl)c([N+](=O)[O-])c1 756600718 WFIXYYOBYNYVGJ-UHFFFAOYSA-N 449.591 4.084 5 20 IIBD C[C@H](OC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C(=O)Nc1cccc(Br)c1 756773208 VRJRBOAWGFYSHB-JTQLQIEISA-N 432.230 4.023 5 20 IIBD Cc1nn(CN2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c2cc([N+](=O)[O-])ccc12 761289949 IQAGNRWAAKASSJ-INIZCTEOSA-N 436.447 4.279 5 20 IIBD O=C(OCCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cnc(-c2cccnc2)s1 762049302 BLWLASARCRPEHN-UHFFFAOYSA-N 439.371 4.368 5 20 IIBD COc1cc(Cc2noc(-c3ccc(-n4ccc(C(F)(F)F)n4)cc3)n2)ccc1[N+](=O)[O-] 762307764 HEIJBCTVZVSZJL-UHFFFAOYSA-N 445.357 4.449 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(Cc3noc([C@H]4CC(c5cc(F)ccc5F)=NO4)n3)c2c1 762308039 HRCPNCNBUQDXPT-GOSISDBHSA-N 425.351 4.194 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)C1SCCS1 768583707 ZFACEOCDUPYKGX-OAHLLOKOSA-N 438.914 4.277 5 20 IIBD O=[N+]([O-])c1ccc2nc(Sc3ccc(CN4CC[C@@H](CO)C4)cc3[N+](=O)[O-])sc2c1 769242814 LOIRZKKNLZHZGD-CYBMUJFWSA-N 446.510 4.078 5 20 IIBD O=C(COC(=O)C1CCC(C(F)(F)F)CC1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 769443997 YRKBUNWVDDMMFF-UHFFFAOYSA-N 442.312 4.464 5 20 IIBD CCNc1ccc(C(=O)N2[C@H]3CCC[C@H]2CC(NC(=O)OC(C)(C)C)C3)cc1[N+](=O)[O-] 770626381 WVNPEXNDDWEGLY-IRXDYDNUSA-N 432.521 4.077 5 20 IIBD O=C(c1cc([N+](=O)[O-])c2nsnc2c1)N1CCC(c2nc3ccccc3s2)CC1 771501337 HTYKQFPXAVOTNE-UHFFFAOYSA-N 425.495 4.229 5 20 IIBD O=C(COC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccc(Br)cc1 773603767 IUXSRMGLYIJRQH-UHFFFAOYSA-N 449.076 4.221 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccc(C(F)(F)F)cc1Cl 775105260 MWCUBNIZGMGLJN-VIFPVBQESA-N 446.765 4.460 5 20 IIBD O=[N+]([O-])c1cccc(F)c1OS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 778074068 WGEYYXAZMSFOPL-CYBMUJFWSA-N 445.852 4.103 5 20 IIBD C[C@H](OC(=O)c1c(N)cccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1C(F)(F)F 778145770 ORUVGNRVXLZROA-QMMMGPOBSA-N 431.754 4.033 5 20 IIBD CCc1oc(C(=O)OC)cc1COC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781258138 PMDODKYMDLSBGY-UHFFFAOYSA-N 441.386 4.259 5 20 IIBD Cc1ccc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OCC(F)(F)F)c1 781606891 QGBUXYMGVAQRAP-UHFFFAOYSA-N 427.335 4.324 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCc1cccc(C(=O)Nc2ccccc2)c1 781737451 OCWSFVVFTPINPA-UHFFFAOYSA-N 449.419 4.431 5 20 IIBD CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F 782494392 WEPHUZITMLQDSJ-UHFFFAOYSA-N 443.454 4.156 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 784531055 NTOGBEVSRKCPKM-INIZCTEOSA-N 430.386 4.429 5 20 IIBD O=C(c1cc([N+](=O)[O-])c2nsnc2c1)N1CCC(c2ccccc2Br)CC1 784762049 BGEPNWRXMGILBL-UHFFFAOYSA-N 447.314 4.382 5 20 IIBD Cc1cc(C)c(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1Br 784781648 NRGUSBKVFVGILV-UHFFFAOYSA-N 426.654 4.205 5 20 IIBD COc1cc(C(=O)OCc2ccc(Br)c3cccnc23)c([N+](=O)[O-])cc1OC 784945756 SHLYPLZIYGLYPG-UHFFFAOYSA-N 447.241 4.280 5 20 IIBD O=[N+]([O-])c1ccc([C@@H](O)CN(Cc2cccc(Br)c2)C2CCOCC2)cc1 786440045 DRGBLBHHHHKNLQ-FQEVSTJZSA-N 435.318 4.072 5 20 IIBD O=C(NC1CC1)c1ccc(CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C2CC2)cc1 790523543 CULUFUPCLFUYQM-UHFFFAOYSA-N 445.878 4.013 5 20 IIBD Cc1c(CNC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccsc2)cccc1[N+](=O)[O-] 790567959 XEFNQYUDJXAVRO-OAQYLSRUSA-N 425.510 4.410 5 20 IIBD COc1cc(CN2CC[C@@]3(C)[C@H](C2)C3(Cl)Cl)c([N+](=O)[O-])cc1OCC(F)F 792908282 LZHFZSFCGVTULE-HOCLYGCPSA-N 425.259 4.263 5 20 IIBD CCOC(=O)/C(=C\c1ncc(-c2cccc(Br)c2)[nH]1)c1ccc([N+](=O)[O-])cn1 794949912 QSLPXRNSICLTFQ-DHDCSXOGSA-N 443.257 4.246 5 20 IIBD CN(C)c1nc2ccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3Cl)cc2[nH]1 802620206 SEPBKFZCDADDNJ-UHFFFAOYSA-N 438.669 4.205 5 20 IIBD Cc1nc(-c2cccnc2)nc(N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c1C 804702854 IKNKXZXGPIZZKS-UHFFFAOYSA-N 440.301 4.389 5 20 IIBD CC(=O)c1ccc(Cl)c(NC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])c1 808554831 KNVUAPHXHNOYRD-UHFFFAOYSA-N 440.681 4.288 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2-c2nc(-c3ccnc(-n4ccnc4)c3)no2)CC1 809400523 ZLYNMZOFUPZPRQ-UHFFFAOYSA-N 431.456 4.129 5 20 IIBD CCN(C(=O)Cc1noc(-c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)n1)c1ccccc1 809485385 XSGFYHDOBYQRLM-UHFFFAOYSA-N 449.511 4.477 5 20 IIBD O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc(Cc3ccc(OCC(F)(F)F)nc3)no2)c1 809490398 HZVRNDVTJVHDSF-UHFFFAOYSA-N 449.389 4.172 5 20 IIBD O=C(OCC(=O)N1CCSc2ccccc21)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811373680 JZQLKARMHWVXPQ-UHFFFAOYSA-N 427.265 4.197 5 20 IIBD O=C(COC(=O)c1sc2ccccc2c1Br)Nc1ccccc1[N+](=O)[O-] 811386112 OYEHJJAYSPYDSC-UHFFFAOYSA-N 435.255 4.368 5 20 IIBD CN1C(=O)CC[C@H](c2nc(CCC(C)(C)[N+](=O)[O-])no2)[C@H]1c1ccc(C(F)(F)F)cc1 812811557 CBPOYOFGFBBLOR-WMLDXEAASA-N 440.422 4.153 5 20 IIBD COc1cc(C(=O)OCc2oc(C(C)C)nc2C)c([N+](=O)[O-])cc1OCc1cscn1 813226597 KELRLXRNKMHXBQ-UHFFFAOYSA-N 447.469 4.416 5 20 IIBD COc1ccc(OC)c([C@H]2C[C@H]2C(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)c1 815237975 SONXUPLPTFOUDI-GDBMZVCRSA-N 425.359 4.478 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 816867655 UXYHXVWZBSBBQL-AWEZNQCLSA-N 444.315 4.421 5 20 IIBD Cc1ccc([C@@H](O)c2ccccn2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 819706910 PIYNRAPETPDEKO-HSZRJFAPSA-N 432.480 4.232 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)ccc1Cl 874435649 BHSHLMTWNGDLPI-UHFFFAOYSA-N 445.856 4.375 5 20 IIBD CCOc1ccc(-c2noc(CCC(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)n2)cc1 913727318 ZFPQERVUIGJFCQ-UHFFFAOYSA-N 444.875 4.288 5 20 IIBD CCOc1ccc(-c2nc(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3F)cs2)cc1 914991331 FJUPAJVLMBHGLQ-UHFFFAOYSA-N 445.428 4.052 5 20 IIBD Cc1ccc(SCCNC(=O)c2cc([N+](=O)[O-])ccc2I)cc1 915277713 ZCJMTZGUMHDBKY-UHFFFAOYSA-N 442.278 4.030 5 20 IIBD CCOc1cc(CNC(=O)c2ccc(Br)c([N+](=O)[O-])c2)ccc1OC(F)F 916481917 JWJCACOTMIQUNW-UHFFFAOYSA-N 445.216 4.287 5 20 IIBD O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 918832816 PMSMCNXPPQERIA-UHFFFAOYSA-N 448.403 4.031 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)[C@H](C)Oc2cccc(C(C)C)c2)c([N+](=O)[O-])c1 919449584 FEJGBOZZQNIOME-GJZGRUSLSA-N 430.457 4.065 5 20 IIBD Cc1nc2cc(F)cc(C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c2nc1C 919546874 TVUORPFNNBGXIU-LLVKDONJSA-N 446.822 4.131 5 20 IIBD C[C@H](OC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1)c1cccc([N+](=O)[O-])c1 920159905 UEOHLMPDHNSZQQ-AUQXIXNCSA-N 431.408 4.144 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ccc(OCC3CC3)nc2)cc1)c1cccc([N+](=O)[O-])c1 1115966844 HYTMJJQDHIARCE-UHFFFAOYSA-N 433.420 4.250 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1nc(C2CC2)n(-c2ccccc2)n1 1117745888 ZRCFCYXFJNYDLP-UHFFFAOYSA-N 432.358 4.429 5 20 IIBD CC(C)(C)OC(=O)NCc1ccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 1320484568 YYWZDUMSTDNQCP-UHFFFAOYSA-N 426.473 4.210 5 20 IIBD O=C(c1ccccc1)N1CCC[C@H](Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 1321014897 GGBQEKQJKUPXOK-ZDUSSCGKSA-N 444.360 4.361 5 20 IIBD O=C1c2ccccc2C(=O)N1Cc1cccc(-c2nnc(-c3cccc([N+](=O)[O-])c3)o2)c1 1322443157 XHBSNEQNCWGFJK-UHFFFAOYSA-N 426.388 4.108 5 20 IIBD C[C@H](Oc1cccc(Br)c1)c1nnc(-c2cc3c(cc2[N+](=O)[O-])OCCO3)o1 1328241117 GVJQLMOBUYLUGZ-JTQLQIEISA-N 448.229 4.319 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@@H]3CC=CCC3)cc2)CCC1)c1cc(O)cc([N+](=O)[O-])c1 1786076770 KWMOTGIFIUGBGM-MRXNPFEDSA-N 435.480 4.404 5 20 IIBD Cc1oncc1C(=O)Nc1ccc(C2(NC(=O)CCc3cccc([N+](=O)[O-])c3)CCC2)cc1 1787445102 SFWQCHFOXJLTJR-UHFFFAOYSA-N 448.479 4.272 5 20 IIBD Cc1cccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C3)c1 1793972944 IPIFQEZOHKBWCG-PIAAGLQUSA-N 447.535 4.187 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1cc([C@H]2CCCCN2C(=O)C2CCCCC2)[nH]n1 1814966916 XNAHCNGCQAYABV-SXAWMYDMSA-N 441.488 4.197 5 20 IIBD CC[C@H](C)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])c(O)cc2C)[nH]n1 1815045588 SNISFABSBXRBHP-SUMWQHHRSA-N 443.504 4.074 5 20 IIBD O=C(C1CC1)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 1831062487 VSEKWBAZJZMBIE-LJQANCHMSA-N 441.553 4.453 5 20 IIBD O=C(c1cccc(F)c1[N+](=O)[O-])N1CCC([C@H]2CCCCN2C(=O)CC2CCC2)CC1 1832835670 DPJZWBBDAHLMLT-HXUWFJFHSA-N 431.508 4.157 5 20 IIBD O=C(COC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC1CC1 3481076 HDMAYONEPJZFNG-UHFFFAOYSA-N 440.399 4.200 5 20 IIBD CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 15840061 JSHDXHFMDGVIJN-UHFFFAOYSA-N 445.884 4.326 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(Cl)cc3)n2C)c([N+](=O)[O-])c1 16731748 CTXYDSJTLJPDAB-LLVKDONJSA-N 447.904 4.172 5 20 IIBD COCCn1c(S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nc2ccccc21 17656275 CUTKGSRMDNNLTK-CYBMUJFWSA-N 425.470 4.494 5 20 IIBD Cc1ccc(-c2nnc(Sc3ccc(S(=O)(=O)C(F)(F)F)cc3[N+](=O)[O-])o2)cc1 18055977 VMEXNQPWQSASMM-UHFFFAOYSA-N 445.400 4.398 5 20 IIBD Cc1nn(-c2ccccc2)c(Cl)c1C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 21157613 KPEIAYJBPCOPHD-UHFFFAOYSA-N 449.250 4.191 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c(Cl)c1 24184496 WJJYXZJMFMZDMB-HNNXBMFYSA-N 445.903 4.343 5 20 IIBD CC(=O)Nc1ccc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1 28695709 KZVUZLHVNGAPLA-UHFFFAOYSA-N 447.447 4.205 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccc(NC(C)=O)cc2F)cs1 29356817 PDZXBJVROJWALC-UHFFFAOYSA-N 430.417 4.077 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2ccc(O)cc2)c([N+](=O)[O-])c1 45521743 BZJYKOWPHGUHRW-UHFFFAOYSA-N 427.482 4.128 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccnn1Cc1ccccc1Br 57842263 BGKLXIDSVDUQHZ-JXMROGBWSA-N 427.258 4.254 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCc3sccc3Br)cc2)c(C)c1[N+](=O)[O-] 58766231 FCJFPFPGXRDPHB-UHFFFAOYSA-N 449.330 4.210 5 20 IIBD COc1ccc(C(NC(=O)COc2cccc([N+](=O)[O-])c2C)c2ccc(OC)cc2)cc1 59012638 ZVLOGIBXWIZBHO-UHFFFAOYSA-N 436.464 4.205 5 20 IIBD Cc1cc(C)n(-c2ccc(CCNc3ccc(C(=O)c4nccn4C)cc3[N+](=O)[O-])cc2)n1 64113317 IRGAUVYEUIBEAR-UHFFFAOYSA-N 444.495 4.016 5 20 IIBD C[C@@H]1CCCN(Cc2ccc(CNC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)cc2)C1 64883886 SWYPVBHDZXIDGD-GOSISDBHSA-N 447.539 4.157 5 20 IIBD COc1ccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1N1CCCC1=O 64909110 OGJFBIXEUMFJOQ-UHFFFAOYSA-N 438.465 4.106 5 20 IIBD Cc1cc(F)ccc1NC(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 69474727 VNTLPUSHTBGPLH-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD Nc1ccc(C(=O)N2CCCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 97491527 ORHPFBAETBLPQH-MRXNPFEDSA-N 437.283 4.117 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)c1sc(NC(=O)c2cccc(F)c2)cc1C 195711742 DXMJGYBQHZVYMN-UHFFFAOYSA-N 443.456 4.295 5 20 IIBD Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 255934736 IHMHPCGSUGUZSG-UHFFFAOYSA-N 435.845 4.203 5 20 IIBD O=C(NCc1ccc(Oc2cccc(F)c2)nc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 303171275 YUZIFIGYJPLPIM-UHFFFAOYSA-N 436.443 4.451 5 20 IIBD CC[C@@H](C(=O)N1CCC(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 409565069 HMKYIFOUXIHZEG-VGOFRKELSA-N 438.528 4.140 5 20 IIBD NC(=O)c1ccc(-c2nc(COc3c(Br)cccc3[N+](=O)[O-])cs2)cc1 431225154 MPONHGCNVUHDRY-UHFFFAOYSA-N 434.271 4.159 5 20 IIBD Cn1ccnc1[C@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 431869697 QUWNFRQQBPXYML-GOSISDBHSA-N 427.892 4.306 5 20 IIBD CCNC(=O)Nc1cccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1C 432646339 YZIHZDUUIXBSOC-UHFFFAOYSA-N 447.300 4.152 5 20 IIBD COc1cc(CCNC(=O)Nc2cc(-c3cccnc3)ccc2C)c([N+](=O)[O-])cc1OC 432994236 UOSYZQLMNIGBQQ-UHFFFAOYSA-N 436.468 4.347 5 20 IIBD CCOc1cc(CS(=O)(=O)Cc2ccc(C)c(Br)c2)ccc1[N+](=O)[O-] 434640221 YXORLQVYUWGKCN-UHFFFAOYSA-N 428.304 4.179 5 20 IIBD COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1O)CCO2 436974491 YZKOYTMWSUHBEM-OAQYLSRUSA-N 434.448 4.475 5 20 IIBD CC(C)Oc1ccc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1Cl 437044597 XLYVUWVKWACWPN-UHFFFAOYSA-N 431.876 4.165 5 20 IIBD O=C(Nc1ccccc1Cc1ccccc1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437067661 YUUXWXSGCCTKBW-UHFFFAOYSA-N 429.476 4.315 5 20 IIBD CC[C@H](NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)c1ccccc1OCC(=O)N(C)C 438981795 VLNODWCCMLEZDA-IBGZPJMESA-N 427.501 4.066 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@H](OC1CCOCC1)c1ccccc1 439883440 UERVUVMXHSRDNB-ZHRRBRCNSA-N 443.500 4.440 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CC)C[C@@H]1CCN(Cc2ccccc2)C1 439926755 IIVIPMPLTXZSAE-LJQANCHMSA-N 426.517 4.369 5 20 IIBD COC(=O)c1scc(C)c1S(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 442740100 DQOFDZSTSGETLU-UHFFFAOYSA-N 446.506 4.147 5 20 IIBD O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3O 443001885 QNJNKRACYNOQCP-JKRCEWIPSA-N 430.913 4.241 5 20 IIBD CC[C@@]1(C)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3SCCC(=O)OC)cc2O1 443566162 LAIMRPLCNRFTBE-NRFANRHFSA-N 446.481 4.400 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCCN(C2CCCC2)CC1 444076282 QSWPIBSCBYAEFE-UHFFFAOYSA-N 425.479 4.050 5 20 IIBD O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1sc(Br)cc1[N+](=O)[O-] 445171272 GFMZRWWVELBQHZ-GFCCVEGCSA-N 427.276 4.229 5 20 IIBD CN(Cc1nc(CC(=O)Nc2ccc(Cl)cc2Cl)no1)c1ccccc1[N+](=O)[O-] 445378171 CBVGDLRZRUMISA-UHFFFAOYSA-N 436.255 4.102 5 20 IIBD COc1cc(OC)cc(-c2noc(-c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)n2)c1 445453457 WTJDHLNJPNELEK-UHFFFAOYSA-N 435.440 4.191 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(-c3cc(F)c(F)cc3I)n2)s1 445469830 HXHILYWRDKMVOW-UHFFFAOYSA-N 435.149 4.256 5 20 IIBD COc1cc(Cc2noc(-c3cc(C)sc3Br)n2)c([N+](=O)[O-])c(OC)c1 445816432 WEDFPCJYYOLOET-UHFFFAOYSA-N 440.275 4.385 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC(c2c[nH]c3ncccc23)CC1 446004099 UNUIVLGGLQHDKT-UHFFFAOYSA-N 443.301 4.182 5 20 IIBD CC(=O)c1cc2c(cc1NC(=O)c1cc(OCc3ccccc3)ccc1[N+](=O)[O-])OCO2 447204103 RXXWSFMSTWRAOT-UHFFFAOYSA-N 434.404 4.357 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cccc(-c2noc(C(F)(F)F)n2)c1 447270244 JAFYJAWOBVGAMZ-UHFFFAOYSA-N 442.375 4.081 5 20 IIBD NC(=O)[C@@H](Sc1ccc(Br)cc1[N+](=O)[O-])c1ccc(Br)cc1 447349517 GDBUHPDFKDMUIW-ZDUSSCGKSA-N 446.120 4.439 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCc1ccc(OCc2ccccn2)cc1 447818800 YTZGOVPKLKONEX-UHFFFAOYSA-N 434.496 4.013 5 20 IIBD O=C(c1ccc(C(=O)N2CC3(CCC3)[C@H]2C2CC2)c([N+](=O)[O-])c1)N1CC2(CCC2)[C@@H]1C1CC1 461195033 MFCXZJGSGYXCJR-FCHUYYIVSA-N 449.551 4.404 5 20 IIBD CC(C)(C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1csc(-c2cccs2)n1 461406690 KZUIDWIQAFSGFI-UHFFFAOYSA-N 429.523 4.479 5 20 IIBD Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)cc2)n1 461569984 NLONQCUZYBFDNB-KRWDZBQOSA-N 430.468 4.074 5 20 IIBD COc1ccc([N+](=O)[O-])c(NCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)c1 462786227 VVEMKBMUHXWOOJ-UHFFFAOYSA-N 437.475 4.076 5 20 IIBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cc(Br)cc2cccnc12 463280999 GDVPYOHEDOUMJT-UHFFFAOYSA-N 444.241 4.319 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc1 463949288 KDWRZSYDWFPQKG-MRXNPFEDSA-N 448.545 4.125 5 20 IIBD CCOc1ccc([C@@H](NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c2ccccc2)cc1 465031129 FOYKKQHQTNMDSH-VWLOTQADSA-N 448.475 4.213 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N(C)CCC2CCOCC2)c([N+](=O)[O-])c1 466832822 SECMSKMFKIIHLX-UHFFFAOYSA-N 447.557 4.063 5 20 IIBD Cc1sc(S(=O)(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)cc1[N+](=O)[O-] 467048010 TXSHEKRFYMRHFL-CYBMUJFWSA-N 430.935 4.098 5 20 IIBD COc1ccc(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1N1CCCCC1=O 467163617 NNXBFWZYEMGHPR-UHFFFAOYSA-N 432.864 4.095 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NC1CC(c2ccc(F)c(Cl)c2)C1 467851811 MWMNVGGXCMYPHV-UHFFFAOYSA-N 429.835 4.377 5 20 IIBD Cc1cnn(Cc2ccccc2F)c1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 470199080 WSVJSRPKFXHQLU-UHFFFAOYSA-N 440.478 4.486 5 20 IIBD Cc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 470229800 GJZPFEFPKXTNDX-GOSISDBHSA-N 435.402 4.474 5 20 IIBD Cc1ccc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1NC(=O)Nc1ccccc1 470297455 IJIJRSNEHXQGCB-UHFFFAOYSA-N 446.463 4.451 5 20 IIBD C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1noc(Cc2ccccc2)n1 473908390 FVJXBXBYTRTXFD-CYBMUJFWSA-N 435.465 4.183 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 475884041 SYTOVLDYOHFLEW-HXUWFJFHSA-N 440.297 4.395 5 20 IIBD O=c1c(Br)cn(-c2ncnc3scc(-c4ccccc4)c23)cc1[N+](=O)[O-] 477146068 ZQOYXPIQXPXASU-UHFFFAOYSA-N 429.255 4.180 5 20 IIBD Cc1cc(NC(=O)c2cccnc2OCc2ccccc2F)n(-c2ccc([N+](=O)[O-])cc2)n1 478010914 RDMHUXIKFBYENV-UHFFFAOYSA-N 447.426 4.454 5 20 IIBD O=C(NC[C@@H](O)COc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 484339906 XVGWQTONJOBYHE-QGZVFWFLSA-N 442.468 4.055 5 20 IIBD CN(C(=O)[C@@H]1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1)c1ccccc1 485420534 MPANDBNINFHZOB-GFCCVEGCSA-N 444.360 4.133 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 487756561 IREYRGGBDWTNID-CYBMUJFWSA-N 425.391 4.297 5 20 IIBD Cc1ccc([C@H](C)NC(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)cc1[N+](=O)[O-] 488068355 MEAAQFIYVZWCTF-KRWDZBQOSA-N 438.505 4.368 5 20 IIBD Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1C 488240580 UUTVWMUZVDUXHY-HNAYVOBHSA-N 445.566 4.232 5 20 IIBD Cc1ccc([C@H](C)NC(=O)NCCS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 489254198 MXFYBESYEDFNRD-INIZCTEOSA-N 447.557 4.035 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H](c2nc3c(s2)CCCC3)C1 490016710 LSCBGNMSJVSPOP-MRXNPFEDSA-N 428.558 4.447 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C 491586972 STDRIFUWWWULSR-KRWDZBQOSA-N 445.541 4.335 5 20 IIBD C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccc4nnc(C5CCC5)n4c3)cc2[N+](=O)[O-])C1 493945430 QZZTXYPXOYJOHP-OAHLLOKOSA-N 434.500 4.394 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)N1CCCCC1 498187014 DUIAZKMEHMDSDK-OAQYLSRUSA-N 434.496 4.109 5 20 IIBD Cc1cc(C(=O)N[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1 498483216 XOWIACGPLXHVCU-SFHVURJKSA-N 435.402 4.016 5 20 IIBD C[C@@H]1CN(Cc2ccccc2NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[C@@H](C)O1 501424188 NQOUADFUMZIFGS-QZTJIDSGSA-N 438.528 4.057 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CCC(O)(C(F)(F)F)CC2)cc1 508639178 LXXSZJJUPRVUGR-UHFFFAOYSA-N 446.429 4.337 5 20 IIBD COCCCOc1ccc(C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)cn1 508796950 RWCRMPCKXBLSCF-UHFFFAOYSA-N 428.470 4.089 5 20 IIBD CC(C)NC(=O)Nc1ccc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 509798257 GAPFVUCELDOIPX-UHFFFAOYSA-N 427.505 4.245 5 20 IIBD COc1ccc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1OCCC(C)C 509819375 LIDAJOMOWPAACC-UHFFFAOYSA-N 447.557 4.048 5 20 IIBD COc1cc(F)c([C@H](C)NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1OC 510707593 ULOMGOQHGLDRGO-NSHDSACASA-N 431.445 4.366 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(N[C@H]3CCN(Cc4ccc(C(F)(F)F)cc4)C3)cc2N1 511659815 XKGZBWRKPOCHGN-INIZCTEOSA-N 434.418 4.185 5 20 IIBD CCN(C(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-])c1cccc(F)c1 512281885 ZYLFDWZGEQYWCD-UHFFFAOYSA-N 431.445 4.445 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCOc3cc(O)ccc3C2)c([N+](=O)[O-])c1 513121342 CBRVFNXXJGBBOT-HSZRJFAPSA-N 433.464 4.183 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N(C)Cc2nc3ccccc3[nH]2)cc1[N+](=O)[O-])c1ccccn1 516599284 BGDCCSWPCLMOOQ-OAHLLOKOSA-N 430.468 4.311 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 518155933 ZYLVDSORRQPXIN-UHFFFAOYSA-N 426.498 4.158 5 20 IIBD Cn1cc(C(=O)NCCc2nc(C3CCCCC3)cs2)c(-c2ccc([N+](=O)[O-])cc2)n1 522041787 CJNXSCYMIIJBRT-UHFFFAOYSA-N 439.541 4.472 5 20 IIBD C[C@@H]1CCCN(Cc2csc(NC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])n2)C1 522651779 KBVOJQBGVWVJCG-CYBMUJFWSA-N 438.937 4.344 5 20 IIBD COc1ccc(CC(=O)N(Cc2ccc3c(c2)OCO3)C2CCCCC2)cc1[N+](=O)[O-] 524146920 VSYHFRFZAARCND-UHFFFAOYSA-N 426.469 4.236 5 20 IIBD O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 524954416 FGDZEJFZEHMABK-UHFFFAOYSA-N 446.507 4.120 5 20 IIBD CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 525564066 DCBTZCOHIFTNFS-UHFFFAOYSA-N 436.392 4.412 5 20 IIBD CS(=O)(=O)C1CCC(NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 525697554 ZPHIPNQEEVZRKY-UHFFFAOYSA-N 438.933 4.486 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cccnc3-c3cnn(C)c3)cc2[N+](=O)[O-])C1 526044429 GAWVKVMEVHTHHI-HZPDHXFCSA-N 434.500 4.125 5 20 IIBD O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccc(-n2cc(Br)cn2)cc1 531005610 YVVJJGDMDNVWJP-UHFFFAOYSA-N 438.241 4.344 5 20 IIBD Cc1nc(O)c(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1-c1ccccc1 531406859 DYAMVPPHLWTOJQ-UHFFFAOYSA-N 433.464 4.354 5 20 IIBD CC(=O)N(c1nc(COc2c(C)cc(Br)cc2[N+](=O)[O-])cs1)C1CC1 531849980 OIWJPIMVCHTCLJ-UHFFFAOYSA-N 426.292 4.217 5 20 IIBD CCS(=O)(=O)Nc1ccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1C 532886755 BYHJVUMERXUBHZ-UHFFFAOYSA-N 432.527 4.400 5 20 IIBD CC[C@@H](NC(=O)c1ccc(SC)c([N+](=O)[O-])c1)[C@H](c1ccc(C)cc1)n1cncn1 533756957 QCCFCPGVAMMVCH-XLIONFOSSA-N 425.514 4.015 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@H](c1cccc(Cl)c1)N1CCCC1 533925009 KIWUWBGEUPTKOD-OAQYLSRUSA-N 426.904 4.225 5 20 IIBD CC(=O)c1ccc(NC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cc1C 534045465 YDEXZBLDNBJCFI-IBGZPJMESA-N 427.457 4.310 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)[C@@H]1CCCC[C@H]1N(C)C1CCN(C)CC1 534205348 CCHUTMZCEMAZTL-NHCUHLMSSA-N 431.581 4.013 5 20 IIBD CC(C)(C)CN(CC(F)(F)F)C(=O)c1cc(I)cc([N+](=O)[O-])c1 535036823 HXHMXTWLSLRXRM-UHFFFAOYSA-N 444.191 4.250 5 20 IIBD CC[C@H](c1ccccc1)N(CC(=O)OC)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 535602497 MRWAVZJIBKUARZ-LJQANCHMSA-N 439.493 4.485 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Sc2nnc(C)n2[C@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 536090655 NTKVFHUPEOGPDG-IPYPFGDCSA-N 433.534 4.374 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 536106734 HXJOUZAAEUVCFU-UHFFFAOYSA-N 431.330 4.326 5 20 IIBD CC(=O)Nc1cccc(-n2cnnc2SCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1 536300061 XILULWYRKFQFIF-UHFFFAOYSA-N 436.453 4.081 5 20 IIBD CN1CC[C@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 536493324 UGTGVRDTQDGWDJ-QRWLVFNGSA-N 433.911 4.474 5 20 IIBD C[C@@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(OCc2cccnc2)cc1 537024517 NMMJRLBJOGTZBX-UZUQRXQVSA-N 432.480 4.025 5 20 IIBD COC(=O)c1cc(NC(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)cc([N+](=O)[O-])c1 538678378 XUFXCQVPJPDQPN-UHFFFAOYSA-N 433.392 4.344 5 20 IIBD COc1ccc(CN(C(=O)CCn2cc([N+](=O)[O-])nc2C)[C@H]2CCCC[C@@H]2C)cc1OC 539004265 KXLRBBAHZSHZAF-LPHOPBHVSA-N 444.532 4.115 5 20 IIBD CCCCn1cc(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c(C)n1 539100694 BTXJZXKANVYUST-KRWDZBQOSA-N 436.516 4.398 5 20 IIBD O=C(NC[C@H]1CCCN(Cc2cccs2)C1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 539448630 YJTYEOMVDIOEBE-QGZVFWFLSA-N 436.537 4.360 5 20 IIBD CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 542552462 XXRKNGYLNOICKU-DLBZAZTESA-N 433.574 4.254 5 20 IIBD COc1ccc(NC(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)cc1[N+](=O)[O-] 542959240 APYZVPYQMXCTAI-ZDUSSCGKSA-N 449.305 4.014 5 20 IIBD COc1cc(Cc2noc(-c3ccc([N+](=O)[O-])c(OC)c3)n2)ccc1OCC(F)(F)F 544303837 VNMGMUIGXAKYGJ-UHFFFAOYSA-N 439.346 4.194 5 20 IIBD O=C(Nc1ccccc1)N1CCC(c2nc(CCNc3ccccc3[N+](=O)[O-])no2)CC1 544539640 MHBBCVMPUDJWQM-UHFFFAOYSA-N 436.472 4.044 5 20 IIBD CSCc1cccc(-c2noc(CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)n2)c1 544751031 WNWYFWLMDSDYEM-UHFFFAOYSA-N 426.454 4.049 5 20 IIBD Cc1cc(-c2nc(CS(=O)(=O)c3cc(Cl)ccc3Cl)no2)cc([N+](=O)[O-])c1 544906202 NLJQXVVRYFPNOV-UHFFFAOYSA-N 428.253 4.234 5 20 IIBD Cc1cc(Cc2noc(Cc3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)n2)no1 544976504 NDJPZGGNAAOBJB-UHFFFAOYSA-N 442.435 4.309 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 545195279 ITBJCUAGEZXMSC-IBGZPJMESA-N 435.524 4.247 5 20 IIBD C[C@H]1CCCN1C(=O)c1ccc(-c2noc(-c3cc(O)nc4ccc([N+](=O)[O-])cc34)n2)cc1 545852717 JMTAUHOFIUKEFB-ZDUSSCGKSA-N 445.435 4.190 5 20 IIBD CCN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@H]1CCN(Cc2ccccc2)C1 546889963 XYQZFRYYIZCDTO-QFIPXVFZSA-N 439.559 4.278 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3ccc(Oc4ccccc4)cn3)CC2)ccc1[N+](=O)[O-] 548833439 FUWTWULVZOVPME-UHFFFAOYSA-N 448.479 4.143 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)CCCc1nc2ccccc2[nH]1 550590358 NDEHVAJMYCZXGG-UHFFFAOYSA-N 431.290 4.247 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(Cl)c(C)cc2Br)cc([N+](=O)[O-])c1 553357154 KPCXKNBJHUMQPL-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(c2c[nH]c3ccc(F)cc23)CC1 553994002 ZTDXBODLJTURSG-UHFFFAOYSA-N 440.475 4.432 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(C4(Cc5ccc(F)cc5)CCOCC4)n3)c2c1 556308805 SIBPBXMTLXMELF-UHFFFAOYSA-N 436.443 4.480 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(COc3ccccc3C(F)(F)F)CC2)n1 557660720 NCHBXTPJBOYQSY-UHFFFAOYSA-N 439.390 4.091 5 20 IIBD COc1cc(Cc2noc(-c3cnc(-c4ccsc4)s3)n2)c([N+](=O)[O-])c(OC)c1 565696109 DLVHQQDURGKNNY-UHFFFAOYSA-N 430.467 4.438 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)c1 567497548 BTLCDMOLKLJZTJ-INIZCTEOSA-N 427.284 4.219 5 20 IIBD C[C@@H](Nc1ccc(-c2nc(-c3ccc4nn[nH]c4c3)no2)cc1[N+](=O)[O-])c1ccccn1 568344429 QUADWHQLVSYLGF-GFCCVEGCSA-N 428.412 4.151 5 20 IIBD COc1c(Br)cc(Cl)cc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 577616606 FYMLALQEEZTKSU-UHFFFAOYSA-N 429.654 4.345 5 20 IIBD CC(C)c1scnc1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 578821015 YAXSUNJYXRSRQG-UHFFFAOYSA-N 428.436 4.156 5 20 IIBD CCc1nc2cc(CNC(=O)c3cc(O)nc4ccc([N+](=O)[O-])cc34)ccc2n1C1CC1 581144868 WDPZNHZFDAIBEQ-UHFFFAOYSA-N 431.452 4.026 5 20 IIBD CCN(CC)CC(=O)Nc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 581152539 ZKGQZMHZCUBRPZ-UHFFFAOYSA-N 438.406 4.146 5 20 IIBD O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccc(Br)cn1 588832561 RBIOXDNAKHBZSB-QGZVFWFLSA-N 431.290 4.304 5 20 IIBD COc1cc([C@@H](C)Nc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])ccc1OCCO 603871734 JZXBCSZMTVKDLU-MRXNPFEDSA-N 436.464 4.379 5 20 IIBD O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N(Cc1cccs1)c1ccc2c(c1)OCCO2 603945350 GRPIGYFQVZKGDO-UHFFFAOYSA-N 440.433 4.003 5 20 IIBD CO[C@@H](C)C(=O)Nc1cccc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 604451176 AKSRYVFECPDTQE-INIZCTEOSA-N 448.479 4.433 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)CCCn1ccnc1 604527958 GDPCJKZYQWKMML-UHFFFAOYSA-N 428.470 4.115 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)c2ccccc2C(F)(F)F)ccc1[N+](=O)[O-] 608806551 PTQPZMHADOVWMW-IFXJQAMLSA-N 449.429 4.404 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccccc1NS(=O)(=O)c1ccccc1 608840333 TWZKWANGKBJYKG-UHFFFAOYSA-N 440.481 4.026 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(F)cc2)c([N+](=O)[O-])c1 608928287 DMJOTUMYNULDCS-UHFFFAOYSA-N 448.476 4.027 5 20 IIBD COc1ccc(COCCCNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 608945284 CPHYTXCVQMGEAN-UHFFFAOYSA-N 427.482 4.064 5 20 IIBD O=C(CNc1cc(F)ccc1Oc1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 609039744 AVGYSBZBXIJYKC-UHFFFAOYSA-N 425.372 4.306 5 20 IIBD CCCO[C@H]1CCCN(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 609399961 XWZXGQDBCRFIAH-HNNXBMFYSA-N 432.443 4.016 5 20 IIBD CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 609702147 JLEBDMYICDMISB-QUCCMNQESA-N 438.528 4.020 5 20 IIBD COc1ccccc1[C@H](CO)NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 609708658 KYGUXHGHJJSRSR-QHCPKHFHSA-N 444.491 4.279 5 20 IIBD O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609762928 SKRGROLLWLLJMG-UHFFFAOYSA-N 445.431 4.402 5 20 IIBD O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 610160016 ZCDDQNFBTYXBAZ-UHFFFAOYSA-N 441.915 4.292 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)cc2[N+](=O)[O-])n1 610192603 KSIXITBWUXYAFX-IAOVAPTHSA-N 433.555 4.444 5 20 IIBD Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 610235014 CWCCODSXCVZCMF-QFIPXVFZSA-N 439.541 4.009 5 20 IIBD COc1ccc([N+](=O)[O-])c(N2CCC(C(=O)Nc3ccccc3Br)CC2)c1 610275489 CXLIJNJLSWXSTI-UHFFFAOYSA-N 434.290 4.221 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)cc1[N+](=O)[O-] 610644095 YUILYYVWWIRNQX-SFHVURJKSA-N 446.507 4.285 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCc2ccccc2[C@H]1Cc1ccccc1 611141962 WGTFUFZRKSQUKL-HOYKHHGWSA-N 443.503 4.082 5 20 IIBD CNS(=O)(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)ccc1C 611203840 VUPYTFPYLYWBMM-UHFFFAOYSA-N 449.554 4.098 5 20 IIBD Cc1ccccc1[C@H]1C(=O)NCCN1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 612750594 KDSZALGUUSWNOJ-QFIPXVFZSA-N 446.463 4.401 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc([C@H]3CCc4ccccc43)no2)c(I)c1 612932861 GQDLYQWLGPJBJQ-ZDUSSCGKSA-N 433.205 4.328 5 20 IIBD CC(C)CC(=O)Nc1cccc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 620313349 WAHOWRROSJUSBH-UHFFFAOYSA-N 441.531 4.456 5 20 IIBD COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 725826482 VNEUZOSYMBSCET-UHFFFAOYSA-N 449.916 4.404 5 20 IIBD COc1ccc(CC(=O)O[C@H](C)C(=O)N[C@H](C)c2cccc3ccccc23)cc1[N+](=O)[O-] 727888101 SNAFYTTVJKSIKK-HZPDHXFCSA-N 436.464 4.108 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)N(Cc1ccc2c(c1)OCO2)C1CCCCC1 728240187 KOQFRDNODWOXBZ-UHFFFAOYSA-N 430.432 4.203 5 20 IIBD CCn1c(COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)nc2c(F)cccc21 728619298 FWBUYDOWFLCWEY-UHFFFAOYSA-N 429.451 4.407 5 20 IIBD COCCSc1ccc([C@H](C)NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 728935044 PQBKFTNYCOWHRA-LBPRGKRZSA-N 430.935 4.026 5 20 IIBD Cc1c(OC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)cccc1[N+](=O)[O-] 730483257 RDTSWOZMMWSHFH-UHFFFAOYSA-N 426.738 4.375 5 20 IIBD O=C(COC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)Nc1ccc(F)c([N+](=O)[O-])c1 730616297 ZZKXAACWNVAZPL-CHWSQXEVSA-N 427.215 4.326 5 20 IIBD COc1cc(C(=O)Oc2ccc(NC(=O)C3CCCCC3)cc2)c([N+](=O)[O-])cc1OC 732000490 CXEZYDIQVUHCNH-UHFFFAOYSA-N 428.441 4.350 5 20 IIBD C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-] 734886589 BUYDCVUPHBRFDZ-LLVKDONJSA-N 426.853 4.191 5 20 IIBD O=C(CCSc1ccc(Cl)cc1)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 735334789 SGNBAKIQDLFHFX-UHFFFAOYSA-N 436.873 4.272 5 20 IIBD CC(C)(C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 737341676 PGZGDNGCUPGCGR-KRWDZBQOSA-N 430.888 4.374 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1F 742028341 GZXSAPGMUMSYKM-CYBMUJFWSA-N 449.504 4.024 5 20 IIBD CC1(C)CC(=O)c2ccc(OS(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])cc2O1 742282704 DSKGDGXENCUGQY-UHFFFAOYSA-N 446.264 4.413 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 742624797 VIVNFZHFWGRTKG-LJQANCHMSA-N 446.548 4.035 5 20 IIBD CCOc1ccc(N[C@H](C)c2ccccc2[N+](=O)[O-])cc1S(=O)(=O)N1CCCCC1 742702983 HYMFSXYSPWOOAE-MRXNPFEDSA-N 433.530 4.341 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 744285590 JUJKLUKYRUCOTP-VQIMIIECSA-N 433.505 4.045 5 20 IIBD COc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 745569175 UZTOMNVAEPANAU-SECBINFHSA-N 446.765 4.460 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1ccc(OC(F)F)cc1 747119767 USGPPJLLMPDSEM-UHFFFAOYSA-N 434.273 4.011 5 20 IIBD C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@H](O)c1c(F)cccc1Cl 747996049 ACWFPYVJTHJCJR-PSLXWICFSA-N 438.886 4.186 5 20 IIBD C[C@@H](OC(=O)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 750101943 MLZIAGAWQDPXAN-CYBMUJFWSA-N 439.449 4.093 5 20 IIBD CCCN1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(OC)c3)cc2Cl)CC1 751107097 HPAFKAKOSIHLRM-UHFFFAOYSA-N 432.908 4.041 5 20 IIBD CC(=O)N1C[C@@H](C(=O)OCc2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)Oc2ccccc21 752219721 YACZKCYRMCRUSE-QHCPKHFHSA-N 448.431 4.244 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCC[C@@H]2C(=O)OCc2ccccc2)cc1[N+](=O)[O-] 753080020 QNILWGRFWWGCCJ-QGZVFWFLSA-N 447.285 4.014 5 20 IIBD O=C(OCc1cc(=O)n2ccsc2n1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 754146855 KZSARVJQXGARIB-UHFFFAOYSA-N 445.522 4.304 5 20 IIBD Cn1cc(C(=O)Oc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)c(C(F)F)n1 754846210 FXADZGDHINYRHD-UHFFFAOYSA-N 441.346 4.259 5 20 IIBD C[C@H](OC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 755064540 KWSOIPYIYJCIIK-QWRGUYRKSA-N 430.348 4.100 5 20 IIBD Cc1ccc(OC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)cc1[N+](=O)[O-] 755252119 WRKGGJIXQOTFQJ-UHFFFAOYSA-N 426.498 4.347 5 20 IIBD Cc1ccc(-c2cncc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c2)cc1 758092793 TTZKNGPCYCYGHK-UHFFFAOYSA-N 425.828 4.414 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 758496051 NMLGJZXGZQPVOH-CHWSQXEVSA-N 426.901 4.405 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(Br)cc1[N+](=O)[O-] 760528507 FRABANMDIBJNLU-UHFFFAOYSA-N 448.185 4.278 5 20 IIBD C[C@H](C(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 761482931 CKHBZWRVFDFVRD-AWEZNQCLSA-N 433.420 4.318 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(N2CCCC2=O)ccc1Cl 761886903 LJRYUFIFRJHWFE-UHFFFAOYSA-N 444.296 4.138 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 762968933 SWDFVYPIMLPKHK-QZTJIDSGSA-N 442.516 4.470 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(CC[C@H](O)c2ccccc2)cc1 762996842 CZKDTWNIHGPLQO-QHCPKHFHSA-N 430.464 4.249 5 20 IIBD C[C@@H](C(=O)OCC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1)c1cccc([N+](=O)[O-])c1 763419827 BVRZGLMIVAXZJA-SZNDQCEHSA-N 442.468 4.348 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)O[C@@H]2CCc3sc(Cl)cc32)ccc1[N+](=O)[O-] 766540300 OUAJDCPBNMEJII-JKSUJKDBSA-N 434.901 4.453 5 20 IIBD O=[N+]([O-])c1cccc(Br)c1CN1CCC[C@@H](c2nnc3n2CCCCC3)C1 768225633 JSUUFYYNTGVWQS-CQSZACIVSA-N 434.338 4.055 5 20 IIBD CCOC(=O)c1oc2ccccc2c1COC(=O)c1cc(Br)ncc1[N+](=O)[O-] 769825457 LBYWNMSTBDMMLD-UHFFFAOYSA-N 449.213 4.032 5 20 IIBD O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CC=C(c2ccc3c(c2)OCCO3)CC1 770850788 FESAPVUUSCHUES-UHFFFAOYSA-N 445.269 4.058 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H](O)c2c(Cl)cccc2Cl)cc1SC 771712497 NATOAEYPAGWXDM-HUTHGQBESA-N 445.324 4.484 5 20 IIBD C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 771765458 PKALKMTUFLXWRV-VXGBXAGGSA-N 446.426 4.381 5 20 IIBD Cc1cc(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])n([C@@H]2CCN(Cc3ccccc3)C2)n1 772269921 QWVLLBYMJAWLEH-LJQANCHMSA-N 437.475 4.247 5 20 IIBD COc1cc(C(=O)N2CCc3cc(C)ccc32)c([N+](=O)[O-])cc1OCc1cscn1 773755991 GAYCCULCIQXCEZ-UHFFFAOYSA-N 425.466 4.150 5 20 IIBD O=C(O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1cnc(Cc2ccccc2F)s1 774175242 FDVYOMMXDULMEK-CVEARBPZSA-N 430.461 4.318 5 20 IIBD O=[N+]([O-])c1cccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)c1Br 775200783 FLRXWQGELOIHFI-UHFFFAOYSA-N 441.181 4.057 5 20 IIBD C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 776011471 DXJQAHSRDWBHMH-GFCCVEGCSA-N 440.725 4.261 5 20 IIBD COc1ccc(-n2ccc(C(=O)O[C@H](c3cccnc3)c3ccccc3[N+](=O)[O-])n2)cc1 776132732 KHOGYNGKKNUUPW-JOCHJYFZSA-N 430.420 4.131 5 20 IIBD CSc1cccc(C(=O)N[C@](C)(CNC(=O)OC(C)(C)C)CC(C)C)c1[N+](=O)[O-] 776844844 MZCXKBDEGHWNAW-FQEVSTJZSA-N 425.551 4.376 5 20 IIBD Cc1sc(=O)n(CC(=O)OCc2ccc([N+](=O)[O-])cc2Cl)c1-c1ccc(F)cc1 778089173 ZNNMEFBDWTYCNR-UHFFFAOYSA-N 436.848 4.329 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 780896190 GZWGJMPBYVDNBL-SJLPKXTDSA-N 449.551 4.447 5 20 IIBD O=C(CCN1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1)Nc1cc([N+](=O)[O-])ccc1F 782512813 XCEPANVQXIXLDG-CVDCTZTESA-N 440.519 4.049 5 20 IIBD CC[C@@H](c1ccccc1)c1nn(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(=S)o1 782858811 DHNZOLJRSBDNBL-KRWDZBQOSA-N 428.518 4.147 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)OCc3nnc(C4CC4)n3C3CC3)cc2[N+](=O)[O-])C1 783091909 ZKNNCTYEXSPFHQ-HUUCEWRRSA-N 439.516 4.238 5 20 IIBD Cc1cc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cnc1Br 783556032 CEMKNQYCJSVZSG-UHFFFAOYSA-N 444.289 4.175 5 20 IIBD C[C@@H](OC(=O)C1(C(=O)O[C@H](C)c2ccccc2[N+](=O)[O-])CC1)c1ccccc1[N+](=O)[O-] 785326881 PHTJATIWXUFTSK-ZIAGYGMSSA-N 428.397 4.192 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 787666751 WJYAODQJOIWLCD-UHFFFAOYSA-N 432.476 4.394 5 20 IIBD O=C(O[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1ccc([N+](=O)[O-])c2cccnc12 789075709 APOSREYWOMTCQZ-KRWDZBQOSA-N 446.246 4.412 5 20 IIBD COc1cc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc([N+](=O)[O-])c1C 790532560 BXPPRJSADYWLKS-UHFFFAOYSA-N 440.843 4.465 5 20 IIBD C[C@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 790547528 WEKLFIXKXVTQQC-STQMWFEESA-N 443.903 4.082 5 20 IIBD O=C(OCc1cn2ccccc2n1)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 790596246 DDCWBQFOZAKXPQ-UHFFFAOYSA-N 435.823 4.484 5 20 IIBD O=[N+]([O-])c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)ccc1Cl 791430740 FIPCWTDZAOSSFG-UHFFFAOYSA-N 426.621 4.264 5 20 IIBD CC(C)c1ccccc1NC(=O)CN1CCc2c(Br)ccc([N+](=O)[O-])c2C1 792893105 YWQBOJSRWXAPIL-UHFFFAOYSA-N 432.318 4.478 5 20 IIBD O=C(COc1ccc(SC(F)(F)F)cc1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 795269984 ZGZQZUZDPPMGPB-UHFFFAOYSA-N 444.387 4.386 5 20 IIBD O=C(Nc1ccccc1C(=O)OC[C@@H]1CCC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1Cl 795286352 JBAREDDUFHOOAB-HIFRSBDPSA-N 432.860 4.208 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1c(-c2cccc(Cl)c2)noc1C 796389358 VQOOYAJFQPGWMX-UHFFFAOYSA-N 429.816 4.316 5 20 IIBD O=C(Nc1ccc(OS(=O)(=O)CCC2CCC2)cc1)c1cc([N+](=O)[O-])ccc1Cl 809806468 CKHHEYKOSOMRRU-UHFFFAOYSA-N 438.889 4.399 5 20 IIBD Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 811244984 HHGDMVTWPCBETR-UHFFFAOYSA-N 444.753 4.170 5 20 IIBD CN(Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 812834562 SZCVYUQHEXJMML-INIZCTEOSA-N 428.327 4.092 5 20 IIBD O=C(O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)[C@@H](F)c1ccc(C(F)(F)F)cc1 813172211 HMCXZJRFKTTXOZ-ROUUACIJSA-N 426.366 4.442 5 20 IIBD C[C@H](N[C@H](C)c1ccc(N2CCCOC2=O)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 814658598 PUKMNQGPELRMRT-KGLIPLIRSA-N 446.891 4.273 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cnn(-c2ccccc2)c1C1CC1 914899949 NSPUDGJCGTVIPJ-UHFFFAOYSA-N 431.408 4.065 5 20 IIBD Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1NC(=O)c1ccccc1 915019576 HDLJQVDHKMCIOC-MRXNPFEDSA-N 447.447 4.340 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H]1c1ccc(F)cc1 917651374 GILSNJFOKOFDCI-CQSZACIVSA-N 429.267 4.022 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@H]1CCN(c2ccc(Br)cc2)C1 918675172 AEQKPDXRAWZJTB-ZAFLOJKISA-N 430.302 4.013 5 20 IIBD CN(Cc1ccc(C(N)=O)cc1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 1117639330 GVGIKFCIZCNUEF-UHFFFAOYSA-N 444.285 4.348 5 20 IIBD O=C(Nc1n[nH]c(-c2cccc(Cl)c2)n1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 1251582094 XRLDECAPGFQGEL-UHFFFAOYSA-N 426.864 4.276 5 20 IIBD O=C(NC[C@H](CO)CC1CCOCC1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 1320825233 QEYFDQMMUSXQAU-GOSISDBHSA-N 436.574 4.032 5 20 IIBD COc1ccc(-c2nnc(-c3cc(OC)c(OCc4cscn4)cc3[N+](=O)[O-])o2)cc1 1333077111 RIQUYKBLURYZMI-UHFFFAOYSA-N 440.437 4.365 5 20 IIBD C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1339345179 HZJZLMYIPUVLFR-INIZCTEOSA-N 435.446 4.137 5 20 IIBD O=C(NC1(c2ccc(NC(=O)C3CCCC3)cc2)CCC1)c1cc([N+](=O)[O-])cc2c1OCC2 1787610417 GJCJPPSUDTTYNB-UHFFFAOYSA-N 449.507 4.468 5 20 IIBD CC1(C)CC(C(=O)NC2(c3ccc(NC(=O)c4cc(O)cc([N+](=O)[O-])c4)cc3)CCC2)C1 1790757931 OJOYMLPTTMKMLS-UHFFFAOYSA-N 437.496 4.484 5 20 IIBD CC(C)(C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3F)cc2)CCC1 1791183327 FSUUYCRFYXTWJQ-UHFFFAOYSA-N 427.476 4.457 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1sccc1Cl 1798977508 SIVOLQCAUNPERV-PYNLGSQFSA-N 445.928 4.275 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC2(CCCN(C(=O)C3CCCCC3)C2)CC1 1808969418 BBSZUBARPAKLGI-UHFFFAOYSA-N 441.572 4.339 5 20 IIBD CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc([N+](=O)[O-])o3)n[nH]2)cc1 1814311460 LMZTWCHNGDKSNN-KRWDZBQOSA-N 437.456 4.093 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC([C@H]2CCCCN2C(=O)c2ccco2)CC1 1825773255 PBJJKBKDXFXYLQ-CTDFXDFQSA-N 437.496 4.135 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CC3CCCC3)CC2)ncc1[N+](=O)[O-] 1827828558 CUPPONHABADIAQ-OAQYLSRUSA-N 442.560 4.112 5 20 IIBD Cc1ccc2cc(C(=O)N3CCCC34CN(C(=O)Cc3cccc([N+](=O)[O-])c3)C4)sc2c1 1845672212 HPYLRDXPPBMJLE-UHFFFAOYSA-N 449.532 4.178 5 20 IIBD O=C(CSc1nc(C2CC2)nn1-c1ccccc1)Nc1cc(Cl)ccc1[N+](=O)[O-] 10081146 OQUCFOAZXVYJGE-UHFFFAOYSA-N 429.889 4.437 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(SC(F)(F)F)cc2)c([N+](=O)[O-])c1 18657097 LZAQRAXLVIAUGG-JTQLQIEISA-N 444.387 4.399 5 20 IIBD Cc1cc(=O)c(C(=O)N(C)Cc2cccc(Cl)c2Cl)nn1-c1ccccc1[N+](=O)[O-] 21898286 DSMRKADDHBMLPZ-UHFFFAOYSA-N 447.278 4.028 5 20 IIBD C[C@@H](OC(=O)CSCc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 22719879 BXJAIXYWEFGZRC-LLVKDONJSA-N 426.853 4.191 5 20 IIBD COc1ccc2cc(CN(C)C(=O)[C@H](C)OC(=O)c3ccc([N+](=O)[O-])s3)ccc2c1 23345005 CTTXEVFGBZCWEK-ZDUSSCGKSA-N 428.466 4.022 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1O 24101026 GJSDEIFFDUGJBB-UHFFFAOYSA-N 430.282 4.139 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 26225592 UOTSJORLWLIMMN-UHFFFAOYSA-N 439.299 4.109 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 28806873 NSXISKFAJHTNDY-SNVBAGLBSA-N 433.877 4.161 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 62229381 RNTSJEFPWGSHAJ-SJLPKXTDSA-N 431.920 4.044 5 20 IIBD CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccc(NC)c([N+](=O)[O-])c1 68979163 KDGDYEVMQRVODZ-UHFFFAOYSA-N 439.299 4.434 5 20 IIBD COc1cc([N+](=O)[O-])ccc1OCC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1 72068088 BGEISOPAJSXBRA-LJQANCHMSA-N 435.436 4.262 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc(-c3nc4ccccc4n3C)cc2)cc([N+](=O)[O-])c1 110586658 ZWSUCUIHOQPATN-UHFFFAOYSA-N 430.420 4.187 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2ccc(Cn3cnc4ccccc43)cc2)s1 301919565 CJCXVCPGQYZLBO-UHFFFAOYSA-N 442.522 4.070 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F)c1ccccc1[N+](=O)[O-] 303543877 UMWBOANBIAERIP-LMMKCTJWSA-N 432.423 4.176 5 20 IIBD Cc1ccc(Br)cc1C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 303936919 RUKRFQZTPCWEGY-KRWDZBQOSA-N 449.301 4.479 5 20 IIBD O=C(Nc1nnc(-c2cc(Br)ccc2F)s1)c1csc([N+](=O)[O-])c1 410012459 QNJKPFVDCIVTRK-UHFFFAOYSA-N 429.252 4.329 5 20 IIBD Cc1nn(-c2ccccc2)cc1CCCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 426043131 NCTNWNKVNLXSKH-UHFFFAOYSA-N 433.512 4.396 5 20 IIBD COc1cc(CN[C@H](C(=O)O)c2ccsc2)ccc1OCc1ccc([N+](=O)[O-])cc1 426783169 JRKJJLSTRZHZCX-FQEVSTJZSA-N 428.466 4.159 5 20 IIBD COc1ccc(CSCC(=O)N2CCCCC[C@@H]2[C@@H]2CCCCC2=O)cc1[N+](=O)[O-] 426892227 VNAREWCSTWZUKT-ZWKOTPCHSA-N 434.558 4.367 5 20 IIBD O=C(Cc1csc(Cc2cccc(Cl)c2)n1)N1CCc2ccc([N+](=O)[O-])cc2C1 427178312 LMYMRKYIKYOXEW-UHFFFAOYSA-N 427.913 4.423 5 20 IIBD Cc1cc(C(=O)COc2ccc([N+](=O)[O-])c(CO)c2)c(C)n1CCc1ccc(F)cc1 428085757 BMAOHRKXPXNJOY-UHFFFAOYSA-N 426.444 4.149 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] 430652948 YKHSXNQSECMQHM-YLJYHZDGSA-N 443.569 4.006 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F 431433131 JRWXUGCFNSNQDC-AWEZNQCLSA-N 433.770 4.131 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3ccccc3OCC3CC3)CC2)ccc1[N+](=O)[O-] 432125713 UWUVLZKSAPIPHI-UHFFFAOYSA-N 440.500 4.136 5 20 IIBD O=C(C[C@H]1CCCCCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 432298018 UZYJVHGFAPSZMW-OAQYLSRUSA-N 432.480 4.438 5 20 IIBD COc1cc(OC)cc([C@@H](N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c2nccn2C)c1 433138448 XWGFILJUACXAIR-FCHUYYIVSA-N 436.512 4.447 5 20 IIBD COc1ccc(CSCC(=O)N[C@H](C)c2ccc(Br)cc2)cc1[N+](=O)[O-] 436218442 QBIUKJDBGRGITH-GFCCVEGCSA-N 439.331 4.477 5 20 IIBD O=C(NCc1ccc(NC(=O)c2cccnc2)cc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 436235829 BMBBCOIGOHBESO-UHFFFAOYSA-N 448.482 4.259 5 20 IIBD C[C@H](NC(=O)C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 436913258 UVQAHIWKNAQUFI-AOMKIAJQSA-N 433.464 4.039 5 20 IIBD Cc1ccc([C@@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)S(C)(=O)=O)cc1 437345609 PEZHRPWWVGXMTE-ZHRRBRCNSA-N 428.510 4.427 5 20 IIBD COc1cc(CN(C)[C@@H]2CCOc3ccc(Br)cc32)c([N+](=O)[O-])cc1OC 438478128 NUOMLBXIDJJLLS-OAHLLOKOSA-N 437.290 4.330 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ncc(-c3ccccc3)[nH]2)c([N+](=O)[O-])c1 439201006 QCEWHPHBEHPKBB-GOSISDBHSA-N 426.498 4.209 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(COC2CCCCC2)c1 439843472 KJRWQTWXYGKLCO-UHFFFAOYSA-N 441.484 4.420 5 20 IIBD CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 440024303 GQUOYXLCYCJAHS-XMMPIXPASA-N 425.529 4.001 5 20 IIBD CC(C)n1cnnc1[C@H]1CCCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 444015000 ZIESQCFIKXUANN-HNNXBMFYSA-N 433.487 4.013 5 20 IIBD CN(CC1(O)CCOCC1)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 444523415 BAWSGOWVTGNFOM-UHFFFAOYSA-N 436.917 4.013 5 20 IIBD COC(=O)C1(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CCC(C)CC1 447349392 WKIPTVKGGXKRQJ-UHFFFAOYSA-N 426.469 4.026 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1noc(-c2ccccc2)c1Br 448540059 XZDFXCTVHGRRQP-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD O=C(NC1CCC(F)(F)CC1)c1cc(C(=O)NC2CCC(F)(F)CC2)cc([N+](=O)[O-])c1 461088256 MEOLYTVFDHEMKC-UHFFFAOYSA-N 445.413 4.210 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2ccccc12)Nc1ccccc1I 464798177 PAJPVMWCVVJFNU-UHFFFAOYSA-N 448.216 4.370 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC2(CCOCC2)O1 468485633 AQNWYYFHBZYBOZ-HNNXBMFYSA-N 446.887 4.451 5 20 IIBD COc1cccc([C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)c2cc(F)ccc2OC)c1 471456720 ATNSPWHTQUWRCZ-QHCPKHFHSA-N 440.427 4.036 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl 475552139 HUOIAEFXEJOFNI-GFCCVEGCSA-N 428.272 4.080 5 20 IIBD C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCc2c([N+](=O)[O-])ncn2C)nnc1-c1ccco1 476489342 WLZKWMQMTCWUME-CBBWQLFWSA-N 428.518 4.469 5 20 IIBD COc1cc(C(=O)Nc2ccc(I)cc2C)cc([N+](=O)[O-])c1C 478234884 PECZCZOWDMWGSS-UHFFFAOYSA-N 426.210 4.077 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](CCc2ccccc2)C(F)(F)F)cc1OC 479760662 UDUCXIAXDOBWMB-SFHVURJKSA-N 426.391 4.296 5 20 IIBD O=C(NCCc1nc2cc(Cl)ccc2s1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 479879278 AAAJQCNGLNLFFU-UHFFFAOYSA-N 427.873 4.016 5 20 IIBD C[C@@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccc(NC(N)=O)cc1 480247260 GNWNXAJWHCWTGW-OAHLLOKOSA-N 433.468 4.189 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]1c1nc2ccccc2n1C(C)C 481438142 QEZOMYVTPDYNFE-GOSISDBHSA-N 444.513 4.060 5 20 IIBD COC(=O)c1cc(OCC(=O)Nc2ccc(N3CCc4ccccc43)cc2)ccc1[N+](=O)[O-] 481961884 NXDAPAONISNBRF-UHFFFAOYSA-N 447.447 4.093 5 20 IIBD CCS(=O)(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)cc1 483158843 PJDCJINOSGTOTP-UHFFFAOYSA-N 437.543 4.357 5 20 IIBD O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccccc1SCc1occc1C(=O)O 485644247 QSUNJDKUGSROEE-UHFFFAOYSA-N 441.465 4.020 5 20 IIBD CCOc1ccc([C@@H]2CCCN2C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)cc1 486872604 IZNLOIRAWKYSNL-IBGZPJMESA-N 427.457 4.458 5 20 IIBD CCCCn1ccnc1-c1cccc(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 488905605 CRWUMNBJKMJKHQ-UHFFFAOYSA-N 437.504 4.324 5 20 IIBD Cc1ccc(N2CCC(NC(=O)c3cc([N+](=O)[O-])ccc3SCC(C)C)CC2)nc1 489581309 YCIDNEYPEPRWLQ-UHFFFAOYSA-N 428.558 4.445 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 490018135 OYCLGGDDHZBHJO-LSDHHAIUSA-N 444.557 4.145 5 20 IIBD CCOc1cc(C(=O)N[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)c([N+](=O)[O-])cc1OC 490088405 KWMKUKBMPQJWRU-NSHDSACASA-N 446.847 4.197 5 20 IIBD C[C@H]1CCCN(Cc2csc(NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)n2)C1 495323836 JYFNZTBHOZCGFD-NSHDSACASA-N 426.445 4.137 5 20 IIBD O=C(Nc1ccc(OCC2CC2)cc1)c1ccc([N+](=O)[O-])cc1I 498000702 HWXKCODYYRDNFO-UHFFFAOYSA-N 438.221 4.241 5 20 IIBD Cc1n[nH]c(C)c1CC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 498379707 WNLNIDVVKGPIHF-UHFFFAOYSA-N 432.839 4.378 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 500237179 CWSMAJDRMOKXBE-UHFFFAOYSA-N 442.472 4.233 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H](C)c2ccnc(O)c2)cc1[N+](=O)[O-] 502275530 JMKNFJOTZPUMQU-ZDUSSCGKSA-N 437.477 4.139 5 20 IIBD COc1ccccc1C1(CNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 503489691 OJIKZAMALLPCSU-UHFFFAOYSA-N 437.418 4.272 5 20 IIBD COC(=O)C1(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CCCCCC1 506134884 FGJMGYBJPFIKGU-MRXNPFEDSA-N 440.500 4.159 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 507396629 DYLDDYTZJKBXLN-IRXDYDNUSA-N 439.365 4.144 5 20 IIBD C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)c1nncn1C 507562246 BJGJYLRWQBPOQB-LBPRGKRZSA-N 431.905 4.061 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2nc3c(s2)CN(C)CC3)cc1 509083793 UNAVQMJOXOTYSX-UHFFFAOYSA-N 440.481 4.092 5 20 IIBD CCOC(=O)c1cc2cc(N[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)ccc2s1 513859688 OQAVHONTPDIZEH-LBPRGKRZSA-N 443.481 4.434 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)Nc1cc(-c2nnc3n2CCCCC3)ccc1Cl 514902219 UXPWXRQMSHYWJW-UHFFFAOYSA-N 441.875 4.251 5 20 IIBD CCc1nc(CN(C)c2ccc(C(=O)c3ccccc3C(=O)OC)cc2[N+](=O)[O-])cs1 516363371 NBYXKOQRYFGZPY-UHFFFAOYSA-N 439.493 4.268 5 20 IIBD CCN(CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1cccc(OC)c1 516632922 SUHWBLKPXCLHBC-IBGZPJMESA-N 439.434 4.435 5 20 IIBD O=C(N[C@H]1CCc2sc(Cl)cc21)c1ccc([N+](=O)[O-])cc1I 516823069 OAVDQOWCSOPLRD-NSHDSACASA-N 448.669 4.332 5 20 IIBD Cc1c(-c2nc(-c3cc(Br)cs3)no2)nnn1-c1cccc([N+](=O)[O-])c1 517629000 ZPNBUFHFBXMZMR-UHFFFAOYSA-N 433.247 4.025 5 20 IIBD C[C@H]1CCCCN1Cc1ccccc1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 517909556 BQWJFCXSWCDJSR-HNNXBMFYSA-N 437.949 4.101 5 20 IIBD CCN(Cc1ccc2ccccc2c1)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 518656100 CPFIYIITZULJDW-UHFFFAOYSA-N 425.872 4.180 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(Br)c(C)cc2OC)c(C)c([N+](=O)[O-])c1 519645068 POWNSGCGQNLOHX-UHFFFAOYSA-N 437.246 4.022 5 20 IIBD CC(C)OCc1ccccc1CNc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] 519965294 AUBSOEVVPBVLCR-UHFFFAOYSA-N 447.557 4.307 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1CC[C@@H](CN2CCCC2)C1 525273953 PJEAGMRJYIPROG-JTSKRJEESA-N 442.947 4.346 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N(C)[C@H](CCO)c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 532022163 VPPWZWUNOCMTMM-VGOFRKELSA-N 434.496 4.359 5 20 IIBD CCOc1ccc(NC(=O)CSc2nnc(C)n2[C@H]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 533886785 YFVYEDHHUBWRBP-ZFWWWQNUSA-N 433.534 4.375 5 20 IIBD CC(C)N(Cc1cccs1)C(=O)c1cc(I)cc([N+](=O)[O-])c1 534296464 JNFLDPZEMGNEDL-UHFFFAOYSA-N 430.267 4.312 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCN(c2ncccc2F)CC1 535610274 GCWNBJXPYSLEIJ-UHFFFAOYSA-N 438.484 4.243 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC(F)F)cc1 535661107 HYXZZMNEPYHESW-UHFFFAOYSA-N 426.397 4.104 5 20 IIBD CCc1csc(-n2cc(C(=O)N(Cc3ccccc3[N+](=O)[O-])CC(F)(F)F)cn2)n1 535685578 ISBAUGLICUUULK-UHFFFAOYSA-N 439.419 4.004 5 20 IIBD Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc34)c12 536254299 VEQFHTFMPRSWDW-UHFFFAOYSA-N 433.453 4.042 5 20 IIBD COC(=O)c1cccc(NC2CCN(C(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)CC2)c1 538765004 ODKJJUTWVFXADQ-UHFFFAOYSA-N 425.485 4.023 5 20 IIBD COc1ccc(CN(C2CCCCC2)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1OC 539857313 BKKYUWHHXDUMIX-UHFFFAOYSA-N 448.541 4.277 5 20 IIBD COCCn1ccc2ccc(NC(=O)c3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])cc21 539964456 OXJBFFPCIXFZTK-UHFFFAOYSA-N 435.383 4.058 5 20 IIBD COC(=O)[C@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)Cc1cccc2ccccc12 541732148 WYYUNLWSXOIOIZ-YJBOKZPZSA-N 438.455 4.139 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(Cc2cccnc2)Cc2ccccc2C)c1 541826168 SDTZHLLJCALFAO-UHFFFAOYSA-N 425.510 4.306 5 20 IIBD COCCOc1ccc(Cl)cc1-c1noc(-c2cc(O)nc3ccc([N+](=O)[O-])cc23)n1 547167545 KHRDCIRNGGHGQG-UHFFFAOYSA-N 442.815 4.244 5 20 IIBD Cc1c(Cc2noc(-c3ccc(S(=O)(=O)c4ccccc4)s3)n2)cccc1[N+](=O)[O-] 547200188 KGIALKGZUIMTNR-UHFFFAOYSA-N 441.490 4.438 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 547333596 RXBQDDZAMSHGAK-IBGZPJMESA-N 427.457 4.257 5 20 IIBD CC(C)c1noc(Cc2ccc(NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)cc2)n1 549267392 JPTZKFNWRKUAHL-UHFFFAOYSA-N 432.440 4.130 5 20 IIBD COc1ccc([C@@H](CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)N2CCCCC2)cc1 549454792 QVVXETQIMGZHND-HSZRJFAPSA-N 440.544 4.015 5 20 IIBD CCCCCOc1ccc([C@@H](C)Nc2nc(O)c3cc([N+](=O)[O-])ccc3n2)cc1OC 552958049 ZNPIJJXHKOXGEI-CQSZACIVSA-N 426.473 4.994 5 20 IIBD CCOc1ccc(C(=O)N2CCCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] 553649132 SONSWWZOBMCFKY-UHFFFAOYSA-N 446.891 4.027 5 20 IIBD CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 557371028 FIECSPYYQAXIBU-UHFFFAOYSA-N 449.385 4.122 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(F)cc1OC1CCOCC1 561118549 DTBWYZVPRNMBON-UHFFFAOYSA-N 438.839 4.353 5 20 IIBD O=C(Cc1noc([C@@H]2CCC[C@@H]3CCCC[C@H]32)n1)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 569766436 JJRAVVBRMJOCSI-RRFJBIMHSA-N 442.472 4.004 5 20 IIBD COc1cc(Cc2noc([C@@H](C)Cc3cncc4ccccc34)n2)c([N+](=O)[O-])c(OC)c1 580178405 WUIYIUPHROYPHV-AWEZNQCLSA-N 434.452 4.480 5 20 IIBD Cn1ccnc1[C@@H](N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1cccc([N+](=O)[O-])c1 581206686 AVDBAAIZDNDVLC-QRWLVFNGSA-N 429.883 4.079 5 20 IIBD CC(C)NC(=O)c1ccc(N2CCC(c3nc(-c4ccccc4)no3)CC2)c([N+](=O)[O-])c1 589572208 ZRCXJVGFIBXWCH-UHFFFAOYSA-N 435.484 4.167 5 20 IIBD O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 603451211 WLTFOTUBJIMNEK-JOCHJYFZSA-N 442.947 4.415 5 20 IIBD O=C(Nc1cc(Br)ccc1Br)c1cc2c(cc1[N+](=O)[O-])OCO2 603568872 UZDQPSMKZVGRFT-UHFFFAOYSA-N 444.035 4.101 5 20 IIBD O=C1[C@H](c2cccs2)N(Cc2ccccc2)C(=O)N1CCOc1cccc([N+](=O)[O-])c1 603678108 YZDUNCNUHJXOPB-FQEVSTJZSA-N 437.477 4.241 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(OCC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)c1 603912156 HENWOTKXAHYOHN-KRWDZBQOSA-N 432.448 4.193 5 20 IIBD O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N(Cc1cccnc1)c1ccc(Cl)cc1 603964276 ZISDFFNIIHLSEJ-UHFFFAOYSA-N 434.843 4.071 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cccc(NC(=O)c2ccccc2)c1C 604010426 HUYZEAYUHATXQY-UHFFFAOYSA-N 434.452 4.215 5 20 IIBD COC(=O)c1ccc(F)c(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1 604128100 NMWFEZZUVRQQBU-ZIAGYGMSSA-N 429.448 4.255 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cc1[N+](=O)[O-] 604520966 PNXPCXUMNDIOHO-OXJNMPFZSA-N 438.933 4.345 5 20 IIBD C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CCCc1cc(-c2ccc(F)cc2)no1 608780278 UYPQCAXPDZQBGB-HNNXBMFYSA-N 426.448 4.281 5 20 IIBD Cc1csc(NC(=O)c2ccccc2NS(=O)(=O)c2cc(C)c(C)c([N+](=O)[O-])c2)n1 608877592 MEPZKESFBSLJNJ-UHFFFAOYSA-N 446.510 4.030 5 20 IIBD Cc1c(NC(=O)CCN2CCC(c3nc(-c4ccccc4)no3)CC2)cccc1[N+](=O)[O-] 609146110 BXWTZXMOIWMAPY-UHFFFAOYSA-N 435.484 4.161 5 20 IIBD O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)c1ccc(OCc2ccccc2)cc1 609323276 HCIYZTUJGOUSRR-UHFFFAOYSA-N 441.443 4.280 5 20 IIBD CC(C)(C)C1CCC(O)(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC1 609549698 KGKLZWGXXDNPHR-UHFFFAOYSA-N 432.439 4.233 5 20 IIBD COc1ccc(CC(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)cc1[N+](=O)[O-] 609570059 ADZKZHUWBFREBA-UHFFFAOYSA-N 435.465 4.094 5 20 IIBD CC(=O)N[C@H](C)CCc1ccc(C(=O)COc2ccc([N+](=O)[O-])cc2Br)cc1 609961846 MXGGOVDITLRZRW-CYBMUJFWSA-N 449.301 4.076 5 20 IIBD O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc(Oc2cccc(Cl)c2Cl)nn1 610221511 PSLJAKSGAGJDQM-UHFFFAOYSA-N 448.266 4.326 5 20 IIBD C[S@@](=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cc1 610622991 MKCXHYYLBKAHMF-GDLZYMKVSA-N 426.519 4.413 5 20 IIBD CC(C)(C)C(=O)N1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC1 611200959 RVHFMELTGNPPJJ-UHFFFAOYSA-N 433.574 4.396 5 20 IIBD CCOc1cc(C(=O)N2CCC(Cc3cccc(OC)c3)CC2)c([N+](=O)[O-])cc1OC 612214887 LIUUHFQXVRGWMP-UHFFFAOYSA-N 428.485 4.106 5 20 IIBD CC(=O)N1CCCCC[C@H]1C1CCN(c2ncc([N+](=O)[O-])c(C)c2Br)CC1 612444169 KAZUYRHBOJLPES-INIZCTEOSA-N 439.354 4.068 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)[C@@H](C)c1ccccc1C(F)(F)F 619494257 LKAXCZOBUUSZGS-VXGBXAGGSA-N 432.420 4.093 5 20 IIBD Cc1nn(CCC(=O)O[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c(C)c1[N+](=O)[O-] 726648115 FBHCOWRALCEVKA-DEOSSOPVSA-N 446.463 4.447 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1F 728999990 RGJZAGVHDGVDPO-LBPRGKRZSA-N 429.429 4.350 5 20 IIBD COc1cc(COC(=O)c2cnc(-c3ccco3)s2)c([N+](=O)[O-])cc1OC(F)F 729023619 IUBHNQVOOVEBRN-UHFFFAOYSA-N 426.353 4.278 5 20 IIBD CC(C)COc1ccc(C(C)(C)CNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 730393234 LHISROFMSBZWJU-UHFFFAOYSA-N 447.919 4.316 5 20 IIBD COc1ccc(Cl)c(NC(=O)c2ccc(I)c([N+](=O)[O-])c2)c1 730487199 VHSGMPHJLGYAIZ-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD COc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 730572826 QLQHKNCLTDHJSI-UHFFFAOYSA-N 426.859 4.148 5 20 IIBD CCc1ccc(-n2nc(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)c3c2CCC3)cc1 730852810 BCNYBCRAGZSFLX-UHFFFAOYSA-N 449.463 4.055 5 20 IIBD COc1cc(COC(=O)c2csc(-c3ccoc3)n2)c([N+](=O)[O-])cc1OC(F)F 731092141 ZOLGUOHKFWYRLE-UHFFFAOYSA-N 426.353 4.278 5 20 IIBD CN(C)C(=O)Sc1cccc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 731417383 XCBWCZQFHHETRB-UHFFFAOYSA-N 425.470 4.021 5 20 IIBD COc1ccc([C@H](OC(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H](C)n2cccn2)cc1 734083157 JRGGFIBLDLBSKN-QVKFZJNVSA-N 427.482 4.438 5 20 IIBD O=C1CCCCN1c1cccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 743252593 FBNMGZMFRPVUHJ-UHFFFAOYSA-N 444.296 4.219 5 20 IIBD O=C(COC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@H](c1ccccc1)c1cccs1 744616084 JZQUXKWWOLNJPO-HSZRJFAPSA-N 449.488 4.060 5 20 IIBD CC(=O)c1cccc(O[C@@H](C)C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 745043072 MYNXQKCZFZHAAL-INIZCTEOSA-N 448.431 4.423 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2cc3c(C(C)C)nn(C)c3s2)cccc1[N+](=O)[O-] 745538621 FWIPKFKXABDCAV-LBPRGKRZSA-N 430.486 4.159 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC(N(C)CC(F)F)CC2)cc1 746324716 PGDZVBOBIVKTLA-UHFFFAOYSA-N 449.454 4.197 5 20 IIBD COc1ccc(C(=O)[C@H](C)OC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c(OC)c1 747958449 NRDCBSUHQGAYJI-LBPRGKRZSA-N 442.449 4.164 5 20 IIBD Cc1c(C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748949204 FDHBMTRRSAXUBI-UHFFFAOYSA-N 442.211 4.222 5 20 IIBD Cc1c(C(=O)O[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748952665 YYHLRDRQQNTOSL-QRYOHXEKSA-N 430.457 4.451 5 20 IIBD O=C(c1cc(Cl)nc(Cl)c1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 750664213 RFCSPERDKWCEPJ-UHFFFAOYSA-N 431.073 4.258 5 20 IIBD Nn1c(SCc2nc3cc([N+](=O)[O-])ccc3o2)nnc1-c1ccc(Cl)cc1Cl 751467190 VEQJMIBJTKIHEH-UHFFFAOYSA-N 437.268 4.307 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H]1CCOc2c1ccc(Cl)c2Cl 754073680 VNGJZFLBUUXCMR-CYBMUJFWSA-N 438.267 4.097 5 20 IIBD COCc1c(Br)cccc1NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl 757220422 LRFCITARYSTNIX-UHFFFAOYSA-N 428.670 4.479 5 20 IIBD Cc1ccc(-c2nc(C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cs2)n1C 758570154 COOMACDGLNCYSR-LLVKDONJSA-N 448.888 4.203 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(F)c(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])c1 759487656 SKOGQZHLPVOKKH-UHFFFAOYSA-N 425.438 4.023 5 20 IIBD CCc1cccc2c(C(=O)[C@@H](OC(=O)c3c([N+](=O)[O-])cnn3C)c3ccccc3)c[nH]c12 766971003 FCJVYURZKWMQFG-QFIPXVFZSA-N 432.436 4.153 5 20 IIBD COc1ccc(COC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)nc1 767413154 YVRYZGNRAOULJE-UHFFFAOYSA-N 438.461 4.308 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)O[C@@H](Cc2ccc(Cl)cc2F)C(C)=O)cc1OC 768419434 UARHHVMPNCHFPD-KRWDZBQOSA-N 439.823 4.152 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Oc1ccc(NC(=O)c2ccccc2)cc1 770400736 NWABQSZXCSYURO-UHFFFAOYSA-N 443.415 4.380 5 20 IIBD Cc1c(C(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)csc1Br 774032792 OEQJRCNXCNLOTL-UHFFFAOYSA-N 440.319 4.196 5 20 IIBD CSc1cccc(C(=O)NC[C@@H](O)c2cccc(OCc3ccccc3)c2)c1[N+](=O)[O-] 777161699 DUIABDWMPIEIPV-HXUWFJFHSA-N 438.505 4.359 5 20 IIBD C[C@H](OC(=O)C[C@@H](C)C(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 777215057 HIFOQPSPOPZECP-NEPJUHHUSA-N 436.823 4.167 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Oc1ccc(NC(=O)c2ccccc2)cc1 781561469 IAKSGGSWGSOQBZ-UHFFFAOYSA-N 435.392 4.294 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 781570312 CNSOOIOOCGOWPJ-MRXNPFEDSA-N 447.422 4.164 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N(Cc1ccc2c(c1)OCO2)C1CCCC1 781572211 OSOPQWLCULDENF-UHFFFAOYSA-N 441.440 4.136 5 20 IIBD Cn1c([C@@H]2CCCCN2CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)nc2ccccc21 782513681 WYODMKINAGDMSH-FQEVSTJZSA-N 425.464 4.176 5 20 IIBD Cc1cc(C(=O)NCC(=O)N2CCC[C@H]2c2ccccc2C(F)(F)F)ccc1[N+](=O)[O-] 782646629 QHMZYXBHZQLGNU-SFHVURJKSA-N 435.402 4.016 5 20 IIBD CCN(c1ccc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1)C(C)C 783890537 YNNDUJNBCOQDCY-UHFFFAOYSA-N 426.517 4.205 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 784562597 YUXMBTOODHUMJK-BZSNNMDCSA-N 431.533 4.285 5 20 IIBD COc1cc(CNc2ccc3c(c2)C[C@H](OC)C3)c([N+](=O)[O-])cc1OCC(F)(F)F 784630464 RPDPPZRHOAUQFC-MRXNPFEDSA-N 426.391 4.270 5 20 IIBD Cc1ccc(NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1NC(=O)C(C)(C)C 784765133 NJGQIJTXDYWTCO-UHFFFAOYSA-N 432.864 4.118 5 20 IIBD C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(I)c2)[C@@H]1c1ccccc1 787809412 PKNLDICLXZCDTK-ZBEGNZNMSA-N 437.237 4.424 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2ccc(CNC(=O)OC(C)(C)C)cc2)c1[N+](=O)[O-] 790396562 CAKPYADFSKCCJU-UHFFFAOYSA-N 435.502 4.037 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])OCc1nc(-c2cc(F)c(F)c(F)c2)no1 790744587 CFBRHLSXBSDOOI-UHFFFAOYSA-N 445.712 4.141 5 20 IIBD CCN([C@H](C)c1ccc(F)cc1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 790830535 QSVWCTMDGSUFJY-CYBMUJFWSA-N 425.438 4.031 5 20 IIBD C[C@@H](OC(=O)c1nc(Br)ccc1Br)c1cccc([N+](=O)[O-])c1 791559297 NDOKOQFWUGZQQE-MRVPVSSYSA-N 430.052 4.433 5 20 IIBD CCc1c(NC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)cnn1-c1ccccc1Cl 791575442 CQKQNMIPHJNKEW-UHFFFAOYSA-N 428.861 4.253 5 20 IIBD COC(=O)c1cc2c(cc1F)NC(=O)/C2=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1 794738899 IRFYFZNMABULEG-MKMNVTDBSA-N 425.397 4.137 5 20 IIBD COc1c(C(=O)OCc2csc(N(C(C)=O)c3ccc(C)cc3)n2)cccc1[N+](=O)[O-] 796306280 QOLRGVCZYBMEJS-UHFFFAOYSA-N 441.465 4.410 5 20 IIBD Nc1ccc(C(=O)N2CCC(F)(c3ccccc3OC(F)(F)F)CC2)cc1[N+](=O)[O-] 799035609 DFCYCVIOPYWPQX-UHFFFAOYSA-N 427.354 4.177 5 20 IIBD COC(=O)[C@@H](OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1C(F)(F)F 800471751 UQBZPEJMDMPUDW-SFHVURJKSA-N 436.342 4.095 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccc(NC(=O)CC(F)(F)F)cc1 801092978 PFAIMQCAICVUSC-UHFFFAOYSA-N 433.745 4.459 5 20 IIBD O=C(OCc1cccnc1Br)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 805933189 NUTRHRINBCWMFA-UHFFFAOYSA-N 435.152 4.050 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2-c2nc(-c3cccc(-n4cncn4)c3)no2)CC1 809408401 CQUOUHKDTAFSER-UHFFFAOYSA-N 431.456 4.129 5 20 IIBD CCOC(=O)[C@H](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccc(OC)c(F)c1 809980502 OLUSDOJBUMPEPU-MRXNPFEDSA-N 431.247 4.443 5 20 IIBD COc1ccc(CSCC(=O)OC[C@H]2CCN(c3ccccc3F)C2)cc1[N+](=O)[O-] 810914057 NGZGQHULXHHFLJ-INIZCTEOSA-N 434.489 4.045 5 20 IIBD O=C(/C=C\c1ccc(Cl)nc1)OCc1cc(I)cc([N+](=O)[O-])c1 811039190 NTOPUXXNFIDACB-RQOWECAXSA-N 444.612 4.004 5 20 IIBD O=c1n(Cc2cccc(NCc3cc(Cl)cc(Cl)c3[N+](=O)[O-])c2)nc2ccccn12 811469464 DNADFXVABJFKMI-UHFFFAOYSA-N 444.278 4.371 5 20 IIBD C[C@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(N2CCCOC2=O)cc1 814311839 LAIZEKFGWKIEMM-ZDUSSCGKSA-N 432.864 4.155 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc(CSc2nc[nH]n2)cc1 815207778 HIWXBSWTVDCDSP-UHFFFAOYSA-N 438.387 4.381 5 20 IIBD C[C@@H](c1ccc(F)cc1)N1CCC[C@H](NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O 815652605 JNQJETODJPDFRH-SBUREZEXSA-N 440.519 4.045 5 20 IIBD O=C(NCc1ccc(-c2ccccc2)cc1F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 815718018 LODGPHPLESKWQH-UHFFFAOYSA-N 427.819 4.309 5 20 IIBD C[C@@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)c1ccc(OC(F)F)cc1 844240139 PPBWPJMDRMXLPR-CQSZACIVSA-N 448.422 4.227 5 20 IIBD Cc1cccc(C(=O)Nc2ccccc2C(=O)O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c1 847394729 BOGHEFRONVUGMX-MRXNPFEDSA-N 447.447 4.340 5 20 IIBD Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)O[C@H](C)C(=O)NC2CCCC2)n1 849132678 NQHMEHGHXFCJQX-GFCCVEGCSA-N 435.527 4.115 5 20 IIBD O=C(O[C@@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 916665018 IMKPHGVTQLTEMS-JOCHJYFZSA-N 437.496 4.106 5 20 IIBD O=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccc(Br)c([N+](=O)[O-])c1 917748223 ZWNHDAUEVCKQRK-UHFFFAOYSA-N 438.241 4.319 5 20 IIBD Cc1cccn2c(=O)cc(COC(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)nc12 919192842 OMEAKOGPTBOGOK-UHFFFAOYSA-N 431.404 4.060 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 920765673 CWXCDMSKILMEPS-NSHDSACASA-N 438.267 4.434 5 20 IIBD CCN(CC)C(=O)C1=C(C)N(c2ccccc2C)C(=S)N[C@@H]1c1ccc([N+](=O)[O-])cc1 1318231580 SYOKADLUFDHRIT-OAQYLSRUSA-N 438.553 4.481 5 20 IIBD CS(=O)(=O)C[C@@H](NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1ccccc1 1323969110 WUJNZRFNBKGLKU-GOSISDBHSA-N 434.901 4.384 5 20 IIBD COc1ccc(Sc2nsc(NC(=O)N3Cc4ccc([N+](=O)[O-])cc4C3)n2)cc1 1343472908 WXYVGBDHDUZEAT-UHFFFAOYSA-N 429.483 4.154 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@H]3CCC(F)(F)C3)cc2)CCC1)c1ccc([N+](=O)[O-])[nH]1 1785802725 MZNXNDMTSGGRKG-ZDUSSCGKSA-N 432.427 4.106 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3cccs3)cc2)CCC1)c1ccc(O)c([N+](=O)[O-])c1 1787275870 NHGOLSCECAKXSW-UHFFFAOYSA-N 437.477 4.423 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])c(C(=O)NC2(c3ccc(NC(=O)C4(C)CC4)cc3)CCC2)c1 1787601720 UYOTYBXUEAZTMJ-UHFFFAOYSA-N 436.512 4.209 5 20 IIBD Cc1cnoc1C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])CCC2)cc1 1789981325 DUUWOYRYZDDARX-KPKJPENVSA-N 446.463 4.352 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C2(NC(=O)C(C)(C)C)CCC2)cc1 1790791485 DPDBRJJUYMUFKP-UHFFFAOYSA-N 438.528 4.455 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(F)c1[N+](=O)[O-])c1cc2ccoc2s1 1800528754 OUFGFXQUAFHDGV-BTTYYORXSA-N 443.456 4.107 5 20 IIBD CC(C)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 1801650446 QYNBEVQWSUBVGR-BJWYYQGGSA-N 429.542 4.498 5 20 IIBD Cc1cccc(C)c1C(=O)N1CCC2(CCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)CC1 1804753794 KELULTRMAGEPRF-UHFFFAOYSA-N 449.551 4.299 5 20 IIBD Cc1occc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1825909823 WJACWVCEZAOXLJ-HXUWFJFHSA-N 443.475 4.182 5 20 IIBD O=C(Cc1ccc(Cl)cc1[N+](=O)[O-])N1CCC([C@@H]2CCCCN2C(=O)CC2CC2)CC1 1826600880 XNMVNOFVIDJIJO-FQEVSTJZSA-N 447.963 4.211 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CC=CCC2)CC1 1830280875 UITFWIXLGQELPP-PGRDOPGGSA-N 443.519 4.324 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)Nc2ccc(F)cc2)cc1 3607840 UADAHQPOPACXBT-UHFFFAOYSA-N 430.413 4.062 5 20 IIBD C[C@H](OC(=O)c1cc2c(s1)CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9070060 NXKOZVNBWOUIMW-VIFPVBQESA-N 428.388 4.348 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1)/C(=C/c1cccs1)n1nnnc1-c1ccccc1 11100680 BMMBGMHERHIKAT-UYRXBGFRSA-N 433.449 4.051 5 20 IIBD CCOc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])o1 18589875 CHZKAJGQCXOHPM-LBPRGKRZSA-N 444.469 4.171 5 20 IIBD CC(=O)c1c[nH]c(C(=O)O[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)c1 18601400 COUIPXLFXBSXHA-LJQANCHMSA-N 441.827 4.316 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1C 26878197 NSIKPBUINRGGPT-QWRGUYRKSA-N 448.385 4.399 5 20 IIBD CCOc1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c([N+](=O)[O-])cc1OC 28686048 JEKSKRSIEVOVPD-UHFFFAOYSA-N 441.465 4.313 5 20 IIBD Cc1c(NC(=O)CCN(C)CC(=O)Nc2c(Cl)cccc2Cl)cccc1[N+](=O)[O-] 31298433 AIJLJIJPWALKJC-UHFFFAOYSA-N 439.299 4.109 5 20 IIBD CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCc1ncc(-c2ccccc2)o1 46761314 BCRHYWOYPNJFIP-UHFFFAOYSA-N 434.408 4.191 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 59057064 ZPSXHLRRVAGPJZ-UHFFFAOYSA-N 426.473 4.128 5 20 IIBD CN(C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 62402195 GGQQMFNRDGPTNX-UHFFFAOYSA-N 444.385 4.070 5 20 IIBD COc1cc(C(=O)NCc2cccc(Cl)c2)c([N+](=O)[O-])cc1OCc1cscn1 108904303 NQZUWZFYOXJKKI-UHFFFAOYSA-N 433.873 4.222 5 20 IIBD C[C@H](CCc1ccc(Br)cc1)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 109271144 HMQADNXNOGIKSB-CQSZACIVSA-N 443.301 4.294 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2cccc3c2OCCO3)cc1 110776423 QZZDMOZSEXEBQB-UHFFFAOYSA-N 436.420 4.097 5 20 IIBD C[C@@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)Oc1ccccc1Br 301527726 JVMMXHLAIJSKBJ-LBPRGKRZSA-N 436.262 4.193 5 20 IIBD O=C(Nc1ccc(Oc2ccc3nnc(C(F)F)n3n2)cc1)c1cccc([N+](=O)[O-])c1 301937088 VJWLOSZPDHOARU-UHFFFAOYSA-N 426.339 4.015 5 20 IIBD CCC(CC)(CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N[C@H](C)c1ccccc1 303439242 FGRUBCDQKJKNDD-GOSISDBHSA-N 435.528 4.420 5 20 IIBD Cc1cc(C2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)ccc1Br 425923691 SQVSPUQCSPJPPD-UHFFFAOYSA-N 432.318 4.144 5 20 IIBD C[C@@H](CCNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1cccc(C(F)(F)F)c1 426027556 IIJCWLGQVLMNCJ-AWEZNQCLSA-N 439.438 4.350 5 20 IIBD CCOc1cc2c(cc1CNC(=O)c1cccc3c(=O)c4cccc(F)c4[nH]c13)O[C@@H](C)C2 435824544 DQFWDZZXRFGADU-AWEZNQCLSA-N 446.478 4.473 5 20 IIBD O=C(N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 436158403 YTFTXLZHOFLZBD-XMMPIXPASA-N 426.472 4.334 5 20 IIBD COC(=O)CSCc1cccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1 436324133 JLEDNIZLCIDYMT-UHFFFAOYSA-N 432.501 4.340 5 20 IIBD CSc1ccc(C(=O)N[C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] 437334848 SRQDDRWDFICCRW-BTYIYWSLSA-N 430.526 4.372 5 20 IIBD O=C(c1ccc2c(c1)nc(O)n2CC(F)(F)F)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437499118 UUGKBUJHLCIQBR-UHFFFAOYSA-N 434.374 4.017 5 20 IIBD COc1ccc(NS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1Cl 438811997 RICHYWOYSJGDHR-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD CCO[C@H]1C[C@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C12CCCC2 444117828 UJDGUQGTCSUPCH-PMACEKPBSA-N 426.463 4.427 5 20 IIBD C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444234038 GCPRTRGDFLCKNC-LBPRGKRZSA-N 438.405 4.490 5 20 IIBD Cn1cc(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c(-c2ccccc2)n1 444302426 QQBJYUBARRBUFL-UHFFFAOYSA-N 426.451 4.151 5 20 IIBD C[C@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)[C@@H]1CCN(Cc2ccccc2)C1 444304890 YFKHNMXRTUWULR-PKOBYXMFSA-N 443.522 4.461 5 20 IIBD O=[N+]([O-])c1ccc(C(F)(F)c2nc(-c3ccccc3I)no2)cc1 445382740 FTYAUCOFKZKVLO-UHFFFAOYSA-N 443.147 4.390 5 20 IIBD CN(Cc1ccc(Br)s1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br 445657028 YCOQJKNVPLQJJW-UHFFFAOYSA-N 448.136 4.382 5 20 IIBD COc1ccc(C(C)(C)c2noc(-c3ccn(-c4ccccc4[N+](=O)[O-])n3)n2)cc1OC 445692429 QDHSYNVQCQAWQM-UHFFFAOYSA-N 435.440 4.174 5 20 IIBD CN1CC[C@H](CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)[C@H]1c1ccc(Cl)c(F)c1 447586055 LCQQSXXSOIVZDK-OBZYLPMUSA-N 435.931 4.350 5 20 IIBD CC(C)(C(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)n1cc([N+](=O)[O-])cn1 460480301 OSHGZFFWRABISU-UHFFFAOYSA-N 449.389 4.049 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CC)[C@H](c1ccc(C)cc1)n1cncn1 462641425 SCUGCVXJMYSJRR-PTUXOGIPSA-N 435.528 4.248 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2c(ncn2CCc2ccccc2)C1 462767763 NWCOPEUSGGCPJL-OAQYLSRUSA-N 432.524 4.188 5 20 IIBD CN(CC(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1)c1ccccc1[N+](=O)[O-] 463092257 WUXGTTANEQVWGP-UHFFFAOYSA-N 426.860 4.297 5 20 IIBD COc1cc(CCNC(=O)N(C)CC(C)(C)c2ccc(C)cc2)c([N+](=O)[O-])cc1OC 465615406 KGWUVJBTBNSOTE-UHFFFAOYSA-N 429.517 4.082 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1 466545073 PWSYBQWLJHVFHV-MRXNPFEDSA-N 443.294 4.163 5 20 IIBD Cc1sc(NC(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(F)(F)F)nc1-c1cccc([N+](=O)[O-])c1 468123453 DXOIODVSIDOZBL-SYQHCUMBSA-N 427.404 4.321 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C(F)(F)F)ccc2C)cc1OC 470223299 MZRZTXULANODAW-UHFFFAOYSA-N 428.363 4.208 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nc(-c2ccc(CNC(C)=O)s2)cs1 470746310 NLTVNKKXGBEVBS-UHFFFAOYSA-N 446.510 4.067 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)ccc1O 475837381 SFYIRVFEACNXGS-UHFFFAOYSA-N 445.400 4.244 5 20 IIBD CCN(C[C@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1)CC(F)(F)F 477273124 UCMFZUGIPDUHFY-CYBMUJFWSA-N 442.463 4.065 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1)c1cccc([N+](=O)[O-])c1 478543855 AKUOGDKVZYBYAC-ZDUSSCGKSA-N 448.410 4.358 5 20 IIBD O=C(Nc1ccc(OC(F)F)c2cccnc12)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 479233663 GNSLHKDIPWPTTC-UHFFFAOYSA-N 425.351 4.182 5 20 IIBD CNS(=O)(=O)c1cccc(CN[C@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)c1 481034228 HWMVBFXVNZIQIR-CQSZACIVSA-N 431.539 4.082 5 20 IIBD CCS(=O)(=O)c1ccc(N2CCC(N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 481743073 PQLAEXANNMDFIE-KRWDZBQOSA-N 431.558 4.016 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(NC(=O)c2cccs2)cc1 481980566 KLWJQYSVSMRFJJ-UHFFFAOYSA-N 431.495 4.326 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc(OCCN2CCCC2)cc1 483356690 UKIOVSUDIHLFJT-UHFFFAOYSA-N 437.418 4.365 5 20 IIBD COc1ccccc1-c1nc(C2CCN(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2)no1 483614012 NDCAMNGXNIPWQH-UHFFFAOYSA-N 437.456 4.373 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2CN2CCC[C@H](C)C2)cc1SC 484618805 WNFCYZIYPFLIJX-INIZCTEOSA-N 443.569 4.487 5 20 IIBD O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1cc2cc([N+](=O)[O-])ccc2o1 485795169 XTRHHNHQVAMJKL-UHFFFAOYSA-N 427.372 4.394 5 20 IIBD Cc1csc(N2CCN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)CC2)n1 486841429 NZHBWQFBZLVRLG-UHFFFAOYSA-N 440.550 4.473 5 20 IIBD CCCC(=O)Nc1ccc(Cl)c(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 486866309 CVIMVHMVNCZSTC-UHFFFAOYSA-N 445.907 4.341 5 20 IIBD Cc1ccc(-c2nnc(SCc3ccc(C(N)=O)cc3[N+](=O)[O-])n2Cc2ccco2)cc1 489410895 UZUROEBWZPHRHE-UHFFFAOYSA-N 449.492 4.194 5 20 IIBD CC(C)(NS(=O)(=O)c1cc(Br)sc1Cl)c1ccccc1[N+](=O)[O-] 490466827 AFYJPTVUVBEIJV-UHFFFAOYSA-N 439.740 4.286 5 20 IIBD COc1c(F)cc(S(=O)(=O)N2CCC(c3c(C)[nH]c4ccccc34)CC2)cc1[N+](=O)[O-] 491311616 XILBGRJEXZJPNR-UHFFFAOYSA-N 447.488 4.101 5 20 IIBD COc1ccc(CNc2cccc(NS(=O)(=O)Cc3ccccc3)c2)cc1[N+](=O)[O-] 492279423 ZRCJNCITMKNCRT-UHFFFAOYSA-N 427.482 4.157 5 20 IIBD COc1ccc(CN[C@H](c2cc(OC)c(OC)c(OC)c2)C(F)(F)F)cc1[N+](=O)[O-] 492630194 PLXOAUJHNMJMDO-GOSISDBHSA-N 430.379 4.022 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] 493211816 STMNLGKVJHUGQU-OAHLLOKOSA-N 443.479 4.099 5 20 IIBD CN(Cc1cc(Br)ccc1Cl)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] 494375403 PJTFISPGXWFTEL-UHFFFAOYSA-N 447.738 4.015 5 20 IIBD Cc1nc(-c2ccc(CCNC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)s2)cs1 497711939 CKSDOBVRBBVNTA-UHFFFAOYSA-N 426.523 4.402 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3cncnc3N3CCCC3)cc2[N+](=O)[O-])n1 499431104 FGVHURGYIRRUDP-UHFFFAOYSA-N 442.526 4.153 5 20 IIBD CC[C@@H]1CCCCN1CCNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 499659219 NKGOBJGAVXXIQC-IEBWSBKVSA-N 425.533 4.157 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCOC[C@@H]1c1nc2ccccc2s1 500695064 IFBXVLNHTHRXQQ-MLGOLLRUSA-N 447.900 4.225 5 20 IIBD COCCN(CC(F)F)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 502730013 DKQKQQVQMZYQMH-UHFFFAOYSA-N 427.835 4.214 5 20 IIBD CCCN(C)[C@H](CNC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc(Cl)cc1 503528973 XMOGWASLLNSOFY-LJQANCHMSA-N 444.923 4.007 5 20 IIBD Cc1ccccc1[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2I)C1 504954417 WIKUCXJUFWHENY-CYBMUJFWSA-N 436.249 4.138 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCOc2c(-c3ccccc3)cccc21 505100126 BQDVWAXGTJDIAD-JOCHJYFZSA-N 445.475 4.022 5 20 IIBD C[C@H](Nc1ccc(C(=O)N(C)Cc2ccc3c(c2)OCO3)cc1[N+](=O)[O-])c1ccccn1 505996084 MJDZZDSIFLFZLF-HNNXBMFYSA-N 434.452 4.164 5 20 IIBD CCOc1cc(NC(=O)N2CC[C@H](COc3ccccc3)C2)c([N+](=O)[O-])cc1OCC 506269785 MHIFLBFDBOHFOO-INIZCTEOSA-N 429.473 4.325 5 20 IIBD Cc1ccc(-n2cnc3c2CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C3)cc1 506847615 RBFQWSHVBOESLH-UHFFFAOYSA-N 430.386 4.306 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 508648405 IIDPHGGZQIASDC-XLNZFTOWSA-N 438.528 4.079 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC(Oc2ccccc2)CC1 509039314 ONYONFIYYCNMCQ-UHFFFAOYSA-N 437.418 4.486 5 20 IIBD CCc1cc(N2CCCN(Cc3ccc(OC)cc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 510867698 QJLIYQCUMJFREH-UHFFFAOYSA-N 447.539 4.335 5 20 IIBD C[C@@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)Oc1ccccc1Br 511514043 QXGHWYMSQNCWEQ-AWEZNQCLSA-N 436.306 4.009 5 20 IIBD COc1ccc(CCC(=O)N2CCCN(Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)cc1 512582357 MKGLMSXTNHWIJG-UHFFFAOYSA-N 439.556 4.394 5 20 IIBD C[C@H](C(=O)N1CCC2(CCN(Cc3ccccc3)CC2)C1)c1ccc([N+](=O)[O-])cc1F 515409025 REUPYMKRJDFOTB-SFHVURJKSA-N 425.504 4.352 5 20 IIBD O=C(Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 515558240 XXLXPLOBYRTBML-HNNXBMFYSA-N 436.251 4.173 5 20 IIBD CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 516332052 ODIZZHOQIZIIIJ-UHFFFAOYSA-N 446.504 4.158 5 20 IIBD C[C@@H](CNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(C)Cc1ccccc1 521096448 LGZWGMIHIXNZGA-AWEZNQCLSA-N 441.475 4.342 5 20 IIBD CSc1ccc(C(=O)Nc2cccc(NC(=O)CCN3CCCCC3)c2)cc1[N+](=O)[O-] 521790275 VDKZQQVYNSXTCV-UHFFFAOYSA-N 442.541 4.384 5 20 IIBD Cc1cc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)n(-c2cccc(C(F)(F)F)c2)n1 524262131 QAZDDHPCLZBRLE-UHFFFAOYSA-N 430.346 4.236 5 20 IIBD CNC(=O)c1ccc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 534240396 HGPDYDPMSBFRBG-UHFFFAOYSA-N 444.797 4.067 5 20 IIBD O=C(Nc1ccccc1CS(=O)(=O)c1ccccc1)c1c[nH]c2cccc([N+](=O)[O-])c12 534988941 ZPBTZMIYFUYUOY-UHFFFAOYSA-N 435.461 4.302 5 20 IIBD C[C@@H](Nc1ccc(I)cc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 535132663 FMXGASCDZUMLDS-STFLBKPXSA-N 430.267 4.110 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC(O)(C(F)(F)F)CC3)cc2[N+](=O)[O-])n1 535544384 UJSPVPATHZCTLC-UHFFFAOYSA-N 447.460 4.040 5 20 IIBD CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CCC1CCN(c2ccncc2)CC1 537842667 BLJUBMIPEVSOJF-UHFFFAOYSA-N 435.528 4.426 5 20 IIBD Cc1cc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)CC2)nc(C(C)C)n1 538248481 FJOBESRTWMXTBO-UHFFFAOYSA-N 443.573 4.280 5 20 IIBD COc1cc(CCNC(=O)NCc2cc(Cl)sc2Cl)c([N+](=O)[O-])cc1OC 539967037 LOHQPVKKXATLJD-UHFFFAOYSA-N 434.301 4.022 5 20 IIBD Cc1nc([C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c2ccc(Cl)cc2)no1 539992108 LPPGERJIQQFSBV-LJQANCHMSA-N 441.875 4.059 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC)c(-n2nnnc2C)c1 540733147 JPTKQACSJYDRAL-UHFFFAOYSA-N 442.501 4.032 5 20 IIBD O=C(CN1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl 541087487 UGSBHTDXOCMIMP-QGZVFWFLSA-N 443.809 4.279 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ncoc1-c1ccc2c(c1)OCCO2 541996155 TXIIJEFMWJVQHN-UHFFFAOYSA-N 435.314 4.292 5 20 IIBD COc1cc(Oc2ccccc2)ccc1NC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 542089963 WOYWWOOLWBTHEN-UHFFFAOYSA-N 435.436 4.073 5 20 IIBD Cc1ccc(Cn2cccc(NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])c2=O)cc1 544087271 FIXYKZHMVUHYIH-UHFFFAOYSA-N 443.912 4.497 5 20 IIBD CCCc1ccc(-c2cc(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)n(CCO)n2)cc1 544859031 JJEYIFZAUFYSBB-UHFFFAOYSA-N 433.468 4.137 5 20 IIBD O=C(Nc1cccc(-c2noc(-c3cc4c(c([N+](=O)[O-])c3)OCO4)n2)c1)c1ccccc1F 544947939 HJOPOQVACSFGAU-UHFFFAOYSA-N 448.366 4.432 5 20 IIBD CN([C@@H](c1ccncc1)c1ccc(Cl)cc1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] 545355721 GUOLLJFSTDJOOC-HXUWFJFHSA-N 431.901 4.194 5 20 IIBD COc1cccc2[nH]cc(Cc3nc(Cc4ccc([N+](=O)[O-])cc4Br)no3)c12 545759768 AWHHTDKXCNTOHO-UHFFFAOYSA-N 443.257 4.412 5 20 IIBD O=C1CCCN1Cc1ccc(-c2noc(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1 546433863 MCUGWESRDORINF-UHFFFAOYSA-N 433.468 4.034 5 20 IIBD CC1(C)CN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)[C@H]1[C@H]1CCCO1 555110553 NYCWAZPYOKNNKI-WBVHZDCISA-N 439.299 4.117 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 556945437 XTMLJYXGHKVGHG-OAQYLSRUSA-N 433.430 4.352 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1)N(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 561074001 FOMCBABNTZRXHJ-RUZDIDTESA-N 444.535 4.226 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N[C@H](C)c2c(F)cncc2F)cc1[N+](=O)[O-])c1ccccn1 561471751 ZTMLGMOCOYDIHR-CHWSQXEVSA-N 427.411 4.327 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1F)N(CCn1ccnc1)Cc1ccccc1Br 569871419 UJYVCPIROUKKSI-UHFFFAOYSA-N 447.264 4.036 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 576851598 CEZBJYKRWCHENJ-QMMMGPOBSA-N 436.337 4.314 5 20 IIBD COCC[C@H](NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 583618538 MIGIDIRMRQXQPY-INIZCTEOSA-N 427.284 4.347 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)NC2(c3ccc(F)cc3F)CCC2)cc1[N+](=O)[O-] 585760647 IUVQTRWFFAXOMU-UHFFFAOYSA-N 431.439 4.305 5 20 IIBD CCc1cc(=N[C@H](C)c2ccc(S(=O)(=O)CC)cc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 588054147 LWDYRARVIVWEQE-OAHLLOKOSA-N 440.525 4.003 5 20 IIBD CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 588816074 JBNZJQUUMPHILT-LJQANCHMSA-N 442.903 4.101 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(N2CCOCC2)c2ccncc12 604427093 KPHIHSCTAJFXIV-UHFFFAOYSA-N 427.848 4.277 5 20 IIBD CSc1ccc(C(=O)N2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)cc1[N+](=O)[O-] 609045361 XHHGVRJIWLCUEN-INIZCTEOSA-N 442.541 4.299 5 20 IIBD O=[N+]([O-])c1cc2c(cc1CNCc1cc(Br)ccc1OC(F)F)OCCO2 609223517 BQSBCYGVFXWLNJ-UHFFFAOYSA-N 445.216 4.020 5 20 IIBD CN(Cc1csc2ccccc12)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 609418711 PGLGITHWGRZQPW-UHFFFAOYSA-N 441.328 4.393 5 20 IIBD CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 609674128 ZJTXXNPOJPGSKM-UHFFFAOYSA-N 431.283 4.016 5 20 IIBD CC(=O)Nc1ccc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cc1 609852832 SLNTUTMMZXGJAQ-UHFFFAOYSA-N 434.239 4.298 5 20 IIBD CC(C)(C(=O)NCC1(c2ccc(Br)cc2)CCCCC1)n1cc([N+](=O)[O-])cn1 609980400 NGGYWIAFUNBPHJ-UHFFFAOYSA-N 449.349 4.307 5 20 IIBD CCOC(=O)c1cc(F)c(F)cc1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 610186500 XKCXEHQROYLMEX-UHFFFAOYSA-N 428.775 4.111 5 20 IIBD COc1ccc2c(c1)OCC[C@@H]2NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 610234012 WQQQKTGRILUNGI-HNNXBMFYSA-N 439.390 4.064 5 20 IIBD CCOC(=O)c1sc(CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])nc1C 610542369 ZZGLWGDSRPFDGJ-UHFFFAOYSA-N 425.466 4.380 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(OCCc2ccccc2)c1 619467239 VVXPMPWQMNILEW-UHFFFAOYSA-N 428.466 4.026 5 20 IIBD CC(C)(C)OC(=O)NCCc1ccc(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)cc1 725791221 DJFMTOHWULESRG-UHFFFAOYSA-N 440.500 4.159 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)Nc1cccc2ncccc12 725985183 HNTQTUVHXBIWKZ-LLVKDONJSA-N 444.241 4.090 5 20 IIBD Cc1cc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])n(-c2ccc(C(F)(F)F)cn2)n1 727311883 LPUQKJAWWWDNER-UHFFFAOYSA-N 425.754 4.408 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCC(C(=O)NCC(C)C)CC3)c([N+](=O)[O-])c2)cc1 727431535 RJYCIFYVGKEXMZ-UHFFFAOYSA-N 438.528 4.144 5 20 IIBD CCOc1ccc(-c2noc(COC(=O)c3cc(SC)c(OC)cc3[N+](=O)[O-])n2)cc1 728649663 PMRJOVHMJNGQKT-UHFFFAOYSA-N 445.453 4.131 5 20 IIBD C[C@H](c1cccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1)N1CCOCC1 729657728 ZKGNMEWZRRYOTQ-CYBMUJFWSA-N 434.290 4.003 5 20 IIBD CC(=O)N[C@@H](CC(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 729812823 KZWBDTAFAHUDCQ-SGTLLEGYSA-N 435.274 4.229 5 20 IIBD O=C(NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1C[C@@H]1c1ccc2ccccc2c1 731290473 MEXBJAFRSBGEHQ-CVEARBPZSA-N 430.869 4.010 5 20 IIBD CN(CCc1ccc(Cl)cc1)C(=O)c1cc([N+](=O)[O-])ccc1I 733232921 GWILPJTWIDXRGC-UHFFFAOYSA-N 444.656 4.168 5 20 IIBD O=C(Oc1cccc(NC(=O)c2cccs2)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 734117174 PSQPOJSDLPGVQY-UHFFFAOYSA-N 434.433 4.314 5 20 IIBD O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1SCC(=O)N1CCCC1 735900879 LGUZNHCEJNRBDG-UHFFFAOYSA-N 434.901 4.320 5 20 IIBD C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 736642030 RDCKBMNXTGGPSD-DGCLKSJQSA-N 443.294 4.063 5 20 IIBD Nc1ccc(C(=O)NC2(c3ccc(OCc4ccccc4)cc3)CCOCC2)cc1[N+](=O)[O-] 740845910 USIHIMYJQWHIAF-UHFFFAOYSA-N 447.491 4.192 5 20 IIBD CSc1ccc(O[C@H](C)C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 740993005 PETQNZPTGLJACB-NWDGAFQWSA-N 438.889 4.308 5 20 IIBD Cc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 744565936 YXLYPTLISGHVRU-AWEZNQCLSA-N 431.876 4.341 5 20 IIBD C[C@H](OC(=O)[C@H](C)c1ccccc1C(F)(F)F)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 745310349 ZYUIWBOGJOHPEU-MNOVXSKESA-N 428.338 4.427 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1F)c1cccc(S(=O)(=O)Cc2ccccc2)c1 746980058 RKCQFGPMSJCROX-UHFFFAOYSA-N 429.425 4.065 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)CC(C)(C)CNC(=O)OC(C)(C)C 747842544 HHFRDXXDTMEOCP-AWEZNQCLSA-N 433.509 4.189 5 20 IIBD CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 747957702 QCDNTXOHBKKTNR-CYBMUJFWSA-N 439.449 4.105 5 20 IIBD CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 750094194 YOHLATVPNRAGQW-GOTSBHOMSA-N 426.513 4.077 5 20 IIBD O=[N+]([O-])c1ccc(-c2ncn(CNC3(c4cccc(Br)c4)CCC3)n2)cc1 750872841 RUCHCIXOURFGPU-UHFFFAOYSA-N 428.290 4.242 5 20 IIBD O=C(NCCOc1cccc(Cl)c1Cl)c1cc([N+](=O)[O-])ccc1Br 751107399 HQTPLPMDDYWJNV-UHFFFAOYSA-N 434.073 4.473 5 20 IIBD Cc1c(C(=O)N(Cc2csc(Br)c2)C2CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 752870374 YTPRLNLONZEVCB-UHFFFAOYSA-N 440.275 4.440 5 20 IIBD Cc1ccc(Cn2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)c2=O)cc1 754173434 CFJDUJYWFBNGDB-UHFFFAOYSA-N 446.507 4.356 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)OCc1cn(-c2ccccc2)nc1-c1cccs1 754905991 IXKWZUQDRFNFGC-UHFFFAOYSA-N 437.481 4.147 5 20 IIBD Cc1c(C(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cccc1-c1ccccn1 755060347 DBZJBIICRWKJPY-UHFFFAOYSA-N 432.480 4.434 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCCCN1C(=O)c1cccs1 755370997 IJFGTGBRHJEUEY-CYBMUJFWSA-N 438.303 4.052 5 20 IIBD O=C(COC(=O)c1cnc(Cc2ccccc2)s1)Nc1ccc(Cl)cc1[N+](=O)[O-] 756535350 LRJRUODUNDPWPS-UHFFFAOYSA-N 431.857 4.091 5 20 IIBD CC[C@@H]1CN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@@H]1NC(=O)OC(C)(C)C 757107087 INWBKHADFIFPNO-RKVPGOIHSA-N 445.520 4.331 5 20 IIBD CCNc1nc(C)c(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)s1 759225268 WQAIKIBRJLMOMT-MRXNPFEDSA-N 446.529 4.033 5 20 IIBD CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 759608958 MBMQADWYRIUEOY-LJQANCHMSA-N 444.435 4.011 5 20 IIBD CC(=O)N(c1cccc(Cl)c1)c1nc(COC(=O)c2ccc([N+](=O)[O-])n2C)cs1 761060425 DILQTFKSHVBADA-UHFFFAOYSA-N 434.861 4.085 5 20 IIBD Cn1c(S)nnc1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 764167005 FUWMQGJTVPPCHU-CYBMUJFWSA-N 447.586 4.067 5 20 IIBD CC(C)Nc1cccc(F)c1NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 765646510 FSCYAYSMGONANK-UHFFFAOYSA-N 432.271 4.118 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 766243117 ZTUHPYUCHCBFDD-KRWDZBQOSA-N 444.444 4.324 5 20 IIBD O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)OCc1cccc([N+](=O)[O-])c1 767507106 NVOGGQLHYHBTAJ-UHFFFAOYSA-N 436.449 4.271 5 20 IIBD CN(C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc([N+](=O)[O-])ccc1N 769691341 UGVLGVAEKNXPJD-UHFFFAOYSA-N 425.316 4.078 5 20 IIBD O=C(NCc1ccc(F)cc1)c1ccc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc1 777947554 QXPOEXLLZLVDMS-UHFFFAOYSA-N 443.381 4.394 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1sc(-c2ccc(F)c(F)c2)nc1C 778149033 LLTYLBJSUWTEPZ-UHFFFAOYSA-N 447.419 4.409 5 20 IIBD CN1CCCN(c2ccc(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)cc2)CC1 780382190 AHMLYHPRHQAUQB-UHFFFAOYSA-N 426.520 4.076 5 20 IIBD COc1cc(C)ccc1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 781349553 JUWFIXVCRPXYOI-NSHDSACASA-N 426.347 4.115 5 20 IIBD O=C(NCCOc1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1Br 782166514 GRVVWFQGTGPABH-UHFFFAOYSA-N 433.180 4.185 5 20 IIBD COc1ccc(-c2noc([C@H](C)OC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 783204863 UIRLNIRXZLYASB-NWDGAFQWSA-N 447.831 4.379 5 20 IIBD O=C(CCCSc1ccc(Cl)cc1)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 784707460 PZEKTFCHQXBCFY-UHFFFAOYSA-N 434.901 4.253 5 20 IIBD CCC(CC)N(CC(C)C)C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br 785178134 ZRKWSRSKPOJDFC-UHFFFAOYSA-N 428.327 4.277 5 20 IIBD CCOC(=O)c1cc2ccccc2cc1NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 790333854 WVDJKGLTMQZSHU-UHFFFAOYSA-N 431.404 4.431 5 20 IIBD Cc1c([C@H](C)NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 790528473 QBWCQDDRPKGFLY-NSHDSACASA-N 434.830 4.440 5 20 IIBD COCC1(CNCc2ccc([N+](=O)[O-])cc2Cl)CCN(C(=O)OC(C)(C)C)CC1 790653078 YLQIZSONLNZMAQ-UHFFFAOYSA-N 427.929 4.002 5 20 IIBD COc1ccc([C@@H](OC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)[C@@H](C)n2cccn2)cc1 791794390 CRRVAAFXMTZRBI-VFNWGFHPSA-N 425.441 4.276 5 20 IIBD O=C(COc1cc(F)c([N+](=O)[O-])cc1Cl)Nc1ccccc1C(=O)NC1CCCC1 795262109 RTSDOUXOQMPTEN-UHFFFAOYSA-N 435.839 4.077 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)N[C@H](c1ccccc1)c1cccs1 795711398 NHCWBUSBSYKIJR-OAQYLSRUSA-N 440.477 4.118 5 20 IIBD CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](COC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 797277544 BQVMHAXAICFQIS-AWEZNQCLSA-N 442.459 4.308 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(COc2ccc(Cl)nc2)CC1 799234391 CJKUYOJFXFIKSD-UHFFFAOYSA-N 434.880 4.365 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl 800602991 OGRXAPMPPCIGPU-VIFPVBQESA-N 428.247 4.035 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(c3nnc(-c4ccccc4)n3Cc3cccs3)CC2)cc1 802698215 KVLFTHBLYRNDMN-UHFFFAOYSA-N 446.536 4.290 5 20 IIBD O=C(COC(=O)c1cc(F)c(Br)c(Cl)c1)Nc1cc([N+](=O)[O-])ccc1F 803733993 COSIZLXUKOIMAU-UHFFFAOYSA-N 449.591 4.084 5 20 IIBD COc1cccc(C(=O)NCc2cccc3c2CCCN3C(=O)OC(C)(C)C)c1[N+](=O)[O-] 807858668 MVVFOICALHVZNW-UHFFFAOYSA-N 441.484 4.221 5 20 IIBD CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 809236019 VJVDATLQWROWJF-GOSISDBHSA-N 437.456 4.110 5 20 IIBD COc1cc(C=O)cc(Cl)c1OS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 809805652 HLRXRVOQJRVABH-UHFFFAOYSA-N 440.644 4.144 5 20 IIBD COCC1(c2noc(CN(C)c3cc(Br)ccc3[N+](=O)[O-])n2)CCCCC1 810325822 GVMCSIOJMXFSBJ-UHFFFAOYSA-N 439.310 4.225 5 20 IIBD C[C@@H](NCc1ccc([N+](=O)[O-])c(F)c1)c1ccc(Br)cc1OCCCO 812884939 FPGIWSVCJNZALE-GFCCVEGCSA-N 427.270 4.108 5 20 IIBD CN1CCC(N(C[C@@H]2C[C@H]3C=C[C@H]2C3)C(=O)c2cccc([N+](=O)[O-])c2Br)CC1 813273628 HTPWTRBLIMSGBL-JYJNAYRXSA-N 448.361 4.106 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C(=O)Nc1cccc(C(F)(F)F)c1 814481830 AMWGXOZLXXHXDF-SNVBAGLBSA-N 443.353 4.003 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C(=O)N[C@@H](C)c1ccc2ccccc2c1 854157890 MSEMLLDOFPBPOE-HOTGVXAUSA-N 435.480 4.237 5 20 IIBD O=[N+]([O-])c1c(-c2nc(-c3cccc(CN4CCOCC4)c3)no2)ccnc1-c1ccccc1 904497417 KGZCXAFAWUUUSK-UHFFFAOYSA-N 443.463 4.206 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N(C2CC2)[C@@H](C)C(C)C)cc1 914778306 NBQJUYXHNQZRCM-INIZCTEOSA-N 446.525 4.320 5 20 IIBD CN(C)c1cc(C(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)ccn1 915810973 LYNRDIXGOLWLSU-UHFFFAOYSA-N 440.843 4.181 5 20 IIBD CN(C)c1cc(C(=O)Oc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)ccn1 915812406 NXBMRGDBNKECIM-UHFFFAOYSA-N 431.404 4.048 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cn2)cc1 916089878 HDXLBQVWAZHGTF-UHFFFAOYSA-N 434.452 4.179 5 20 IIBD O=C(Oc1ccc(NC(=O)c2ccccc2Br)cc1)c1ccc([N+](=O)[O-])[nH]1 916952209 BNFQUPFMXMYQGT-UHFFFAOYSA-N 430.214 4.157 5 20 IIBD CCCC(=O)Nc1nc2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2s1 918162407 WUVKXPOEWAJCSC-UHFFFAOYSA-N 429.414 4.104 5 20 IIBD C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 919408137 WUDNPCGAMZEVRT-ZDUSSCGKSA-N 434.876 4.495 5 20 IIBD C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 919442748 FHBLWHILVZYMFC-MNOVXSKESA-N 427.240 4.239 5 20 IIBD COc1ccc(C2=NN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)[C@H](c3ccco3)C2)cc1 921268728 ZLWLZYBPSOBSAH-FQEVSTJZSA-N 439.399 4.092 5 20 IIBD Cc1c(I)cccc1NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 1319967604 OUKJHMDLKMXJJS-LLVKDONJSA-N 425.226 4.391 5 20 IIBD O=C(Nc1nnc(-c2cccc(Br)c2)s1)N1Cc2ccc([N+](=O)[O-])cc2C1 1320406741 GGEQFSHTSODGNX-UHFFFAOYSA-N 446.286 4.424 5 20 IIBD O=[N+]([O-])c1ccccc1OCc1nnc(-c2cnn(-c3ccccc3F)c2-n2cccc2)o1 1326072959 SJLNXRLYWNWMIA-UHFFFAOYSA-N 446.398 4.339 5 20 IIBD CO/C=C(\C)C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3F)CCC2)cc1 1789432705 SGTRSLKLIZMMOQ-BUHFOSPRSA-N 427.432 4.032 5 20 IIBD CC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C3)CCCCC1 1802219106 HFIFONILPRFDHP-JLYJBUFASA-N 425.529 4.217 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CC=CCC2)[nH]n1)c1cc(F)cc([N+](=O)[O-])c1 1821167471 SPUKVRNJEUBPES-LIRRHRJNSA-N 441.463 4.119 5 20 IIBD Cc1ccc(C)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)c1 1832568979 FYNUXSFNOJBRIV-OAQYLSRUSA-N 438.528 4.087 5 20 IIBD C[C@@]1(C(=O)N2CCCC23CN(C(=O)c2cc4cc([N+](=O)[O-])ccc4s2)C3)CC=CCC1 1846706372 DXMGYHDGZFJNDS-JOCHJYFZSA-N 439.537 4.373 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(Cc2c(F)cccc2Cl)CC1 15485612 KWQDDBYJAYLJMY-CQSZACIVSA-N 445.882 4.316 5 20 IIBD COc1cc(Br)c(COC(=O)c2cc(SC)ccc2[N+](=O)[O-])cc1OC 16196994 BNYKVXSGBTXYCJ-UHFFFAOYSA-N 442.287 4.453 5 20 IIBD COc1ccccc1-n1c(SCc2ccc([N+](=O)[O-])cc2)nnc1N1CCCCC1 17878463 FUOSJNJNFIVLMD-UHFFFAOYSA-N 425.514 4.467 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20892682 NPESSBHPXNZHTH-UHFFFAOYSA-N 444.535 4.208 5 20 IIBD C[C@@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)Nc1ccccc1Br 22792108 XLWDBBGXJGFBMN-SECBINFHSA-N 427.638 4.195 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCN(CCOc2ccccc2Cl)CC1 26082652 QVNIUYLWPWXINV-UHFFFAOYSA-N 445.928 4.300 5 20 IIBD Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 26909443 WDHFJUUEWLCWAL-UHFFFAOYSA-N 439.493 4.171 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)c1cc(C)n(Cc2ccco2)c1C 27800261 UHPNQYSURDMSNH-HNNXBMFYSA-N 426.425 4.091 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)COc2cc(Cl)ccc2Cl)cccc1[N+](=O)[O-] 28500925 MWQNUCAVMHXNDW-LLVKDONJSA-N 427.240 4.159 5 20 IIBD COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)cc1[N+](=O)[O-] 29706525 AXOBTCFHDXRZRX-UHFFFAOYSA-N 441.875 4.494 5 20 IIBD CSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 30011876 AKDXISKQYFKWSI-UHFFFAOYSA-N 443.506 4.370 5 20 IIBD CCn1c(SCC(=O)N(C)Cc2ccccc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 31930254 NEVKWYNMTKEJSO-UHFFFAOYSA-N 445.932 4.277 5 20 IIBD O=C(NC1CC1)c1ccc(N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 60447124 WXXYNMQWFUBFSM-UHFFFAOYSA-N 427.888 4.240 5 20 IIBD Cc1cc(NC[C@@H](O)COc2cccc(C(F)(F)F)c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 60861598 VOWQWIGHDNCXCY-QGZVFWFLSA-N 448.401 4.231 5 20 IIBD COc1ccc(Br)cc1CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 64550441 HIUHICYQPBUWJR-UHFFFAOYSA-N 434.290 4.214 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCO[C@@H](c2ccc(Br)cc2)C1 97570342 VQUPNVAYADLLEI-MRXNPFEDSA-N 425.666 4.224 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1cccc(C(=O)O)c1 238065407 AAHWISWCTVYQIP-UHFFFAOYSA-N 442.431 4.327 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cc(-c2nnc3n2CCCCC3)ccc1F 247329539 OJVOAFVZHFUMQV-UHFFFAOYSA-N 438.463 4.160 5 20 IIBD Cn1ccnc1C(=O)c1ccc(Sc2nc3ccccc3n2C(F)F)c([N+](=O)[O-])c1 301252648 MYEVZOYHWYGLKH-UHFFFAOYSA-N 429.408 4.455 5 20 IIBD O=[N+]([O-])c1cc(Br)cnc1N[C@@H]1CCCc2c1cnn2Cc1ccccc1 301668040 DBOSIHKCBUBKIB-MRXNPFEDSA-N 428.290 4.487 5 20 IIBD COc1ccc([C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 301743986 MSPURFFYUZOJNI-IBGZPJMESA-N 447.900 4.257 5 20 IIBD CCN(CC)C(=O)Cc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 431644430 SWMJTYPVKFTGNJ-UHFFFAOYSA-N 434.290 4.021 5 20 IIBD C[C@@H](c1ccccn1)N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435504749 KHHOONWCYGQFFI-ZDUSSCGKSA-N 442.522 4.361 5 20 IIBD CCOc1cc2c(cc1CNC(=O)c1cccc3c(=O)c4cccc(F)c4[nH]c13)O[C@H](C)C2 435824547 DQFWDZZXRFGADU-CQSZACIVSA-N 446.478 4.473 5 20 IIBD O=C(c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)N1CCCc2cc(Cl)cc(Cl)c21 435911190 JLNMVEFKEAXVSL-UHFFFAOYSA-N 448.262 4.148 5 20 IIBD C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 436247471 UMFWVNGVGZBWAZ-RKVPGOIHSA-N 439.506 4.437 5 20 IIBD COC(=O)c1ccc(C)c(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1O 436512519 KVIPDMKKPNDUJH-UHFFFAOYSA-N 435.436 4.260 5 20 IIBD CCN(CC)C(=O)c1ccccc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 438797687 AJYKWXDABIKWQR-UHFFFAOYSA-N 446.312 4.184 5 20 IIBD COc1ccc(C(=O)N2CCCC2)cc1NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 439250497 MLRUDOFHSGIKRE-UHFFFAOYSA-N 446.463 4.154 5 20 IIBD CN(C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] 441060735 VOLIHQWOJWPDMH-KPFFTGBYSA-N 441.553 4.070 5 20 IIBD C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 443630179 VBVJDYOPUBVXSI-ZDUSSCGKSA-N 446.916 4.484 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 444087296 KYVKLNIDCSMODM-QHCPKHFHSA-N 431.473 4.477 5 20 IIBD Cc1noc(C2CCC(NC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)CC2)n1 444246235 OUEMEDOQRLFFQU-UHFFFAOYSA-N 438.434 4.107 5 20 IIBD C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 446251613 AIZYDMJOJHRMFV-JLTOFOAXSA-N 440.887 4.251 5 20 IIBD COc1cc([C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2C)C(F)(F)F)cc(OC)c1OC 446483784 FGIGWSLDUJTCFP-KRWDZBQOSA-N 443.378 4.354 5 20 IIBD COc1ccccc1CN(Cc1cccs1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C 446530529 NDYQDPACESUMJJ-UHFFFAOYSA-N 439.493 4.141 5 20 IIBD O=[N+]([O-])c1ccc(NC[C@@H](c2ccccc2Cl)N2CCOCC2)cc1OC(F)F 462092772 YDFKSJNORUVOFE-KRWDZBQOSA-N 427.835 4.335 5 20 IIBD O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c2cccnc12 462379046 HQYLLYFBNBILTC-UHFFFAOYSA-N 429.788 4.199 5 20 IIBD CN(c1ccccc1)C1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 462539121 VHTKOWVKLGFDGR-UHFFFAOYSA-N 444.340 4.191 5 20 IIBD CN(Cc1ccco1)Cc1ccccc1CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] 462884549 QRUXBDUDRLQWPE-UHFFFAOYSA-N 434.496 4.324 5 20 IIBD CC[C@@H]1Oc2cc([C@@H](C)NC(=O)NCCCCc3ccc([N+](=O)[O-])cc3)ccc2NC1=O 466759203 UNTIKLYQYDPZRR-QRWLVFNGSA-N 440.500 4.087 5 20 IIBD CCOc1cc(C(=O)N[C@H](C)c2ccc(Br)s2)c([N+](=O)[O-])cc1OC 468163627 JWBHCTFONPGVFH-SECBINFHSA-N 429.292 4.317 5 20 IIBD COc1ccc(-c2ccc(NC(=O)COc3ccc([N+](=O)[O-])c(OC)c3)nc2)cc1Cl 469890959 FEIVTPJZYOUFSY-UHFFFAOYSA-N 443.843 4.345 5 20 IIBD O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 473504310 HHVDEQPNDUWXTM-RUZDIDTESA-N 434.540 4.297 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC=C(c3ccc(F)cc3)CC2)cc1OC 479474207 RAUHPRKPEIHMJJ-SFHVURJKSA-N 444.459 4.134 5 20 IIBD CCn1c(SC[C@@H](O)COc2ccc(Cl)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 480373273 VLFURFYWDXSAJX-INIZCTEOSA-N 434.905 4.059 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])Nc1nc2cc(F)c(Br)cc2s1 481292978 NXWJOBWRYLPYHA-UHFFFAOYSA-N 426.223 4.124 5 20 IIBD COC(=O)c1cc(C(=O)N(C)Cc2ccc(Br)cc2Cl)cc([N+](=O)[O-])c1 481706634 ODTAYPBIRIMLIJ-UHFFFAOYSA-N 441.665 4.070 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 481903770 YDVLECUTJWAXEA-URXFXBBRSA-N 432.524 4.063 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2nc3c(Cl)cccc3s2)cc1[N+](=O)[O-] 486159663 APCXWDVHWYQDHG-UHFFFAOYSA-N 446.901 4.390 5 20 IIBD O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 487241421 QOWHPMZNMJLXHQ-AWEZNQCLSA-N 439.459 4.360 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1[N+](=O)[O-] 488001892 VSEDEJQICTVUMR-CQSZACIVSA-N 445.522 4.257 5 20 IIBD COc1ccc(Cc2nnc(Sc3cc(C)nc(-c4ccc([N+](=O)[O-])cc4)n3)o2)cc1 489326419 FKEHPDNXXLEGES-UHFFFAOYSA-N 435.465 4.494 5 20 IIBD Cc1c(NC(=O)[C@@H](C)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)cccc1[N+](=O)[O-] 490828717 YAPKCVNCVQHBSJ-CABCVRRESA-N 433.892 4.411 5 20 IIBD CCOc1cc(C(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)c([N+](=O)[O-])cc1OC 491099351 FGZYRYPOBOKUMX-AWEZNQCLSA-N 445.541 4.357 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(Br)cc2Cl)cc1[N+](=O)[O-] 493898086 UDURPSUNBIMRSW-JTQLQIEISA-N 440.681 4.135 5 20 IIBD O=C(NCC1(Sc2ccccc2)CCCC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 495015754 HLYZAMINFNBOND-UHFFFAOYSA-N 429.546 4.243 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N3CCC[C@@H]3c3ncc[nH]3)c([N+](=O)[O-])c2)c(C)c1 498886981 AMQCBOLTKJVOBS-LJQANCHMSA-N 441.513 4.077 5 20 IIBD Nc1cccc([N+](=O)[O-])c1C(=O)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 499590128 ZGYLUVYYBAXNFQ-UHFFFAOYSA-N 440.500 4.003 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1c1ncc(Cl)cc1[N+](=O)[O-] 500866037 KMVDJMPTDJWHMR-IBGZPJMESA-N 427.892 4.083 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(F)ccc2Sc2nccn2C)cc1OC 502723151 VUPMPOALLNJHNH-UHFFFAOYSA-N 446.460 4.278 5 20 IIBD CC[C@@H]1CCc2nc(NC(=O)c3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])sc2C1 502997835 LKWACEZDZMMPIE-SECBINFHSA-N 427.429 4.429 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CCOc2c(-c3ccccc3)cccc21 505100127 BQDVWAXGTJDIAD-QFIPXVFZSA-N 445.475 4.022 5 20 IIBD O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1csc(-c2ccc(F)c(F)c2)n1 506188155 FUEQJQDORMUYLC-UHFFFAOYSA-N 428.380 4.034 5 20 IIBD Cn1cc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C(F)(F)F)n1 508333930 YWBHKFZORIDFFX-UHFFFAOYSA-N 428.314 4.097 5 20 IIBD CC(C)C[C@H](C)n1nccc1NC(=O)c1ccc([N+](=O)[O-])cc1I 508939598 BCKJERCABDSGAA-NSHDSACASA-N 442.257 4.255 5 20 IIBD O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 511546248 PFLTYNYSPSTATD-SFHVURJKSA-N 440.397 4.259 5 20 IIBD CC(C)c1nc(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)nn1-c1ccccc1Cl 512938802 FNDDSFGBMYSBAI-UHFFFAOYSA-N 427.892 4.267 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 513065626 XBLDAJSVLJCHRG-ZDUSSCGKSA-N 449.305 4.014 5 20 IIBD CCO[C@@H](C)c1nc(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cs1 514183682 WQLQRQYBWRRCQM-ZDUSSCGKSA-N 444.479 4.490 5 20 IIBD Cc1cc(CSc2ncccc2C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)no1 517101179 WNCFTIPCRKVEKS-UHFFFAOYSA-N 436.453 4.221 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCc2ccc(Br)cc2C1 518408554 SHQNJISTKWBFHF-UHFFFAOYSA-N 430.302 4.156 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1[N+](=O)[O-] 520016992 FUKJJLRWGBYGFH-CTNGQTDRSA-N 434.489 4.012 5 20 IIBD C[C@H](CN1CCN(c2ccccn2)CC1)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 522757386 DLDRSODFHPKQIF-GOSISDBHSA-N 437.569 4.019 5 20 IIBD CC(C)COc1ccccc1CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl 523297457 UDQACFVBYILRIE-UHFFFAOYSA-N 428.876 4.441 5 20 IIBD C[C@H](NC(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1)c1cccc([N+](=O)[O-])c1 524211186 GXYPELSKAQKSEK-YOEHRIQHSA-N 439.447 4.434 5 20 IIBD O=c1cc(COc2ccc([N+](=O)[O-])c3ccccc23)nc2ccc(Br)cn12 531538105 IATISOVSIZXGSQ-UHFFFAOYSA-N 426.226 4.097 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc3c(c2)OCC(=O)N3C)cc1 532948063 HBNJYBNSTIEUSQ-UHFFFAOYSA-N 449.419 4.003 5 20 IIBD O=C(Nc1ccc(F)cc1)c1ccc(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cc1 534983295 PBLQYBADNHYSIH-UHFFFAOYSA-N 432.411 4.398 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N2CCCC[C@H]2c2nc3ccccc3o2)c([N+](=O)[O-])c1 535628949 MHGQQZQZLYDINZ-SFHVURJKSA-N 431.452 4.432 5 20 IIBD CCC[C@@H](NC(=O)C[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 536305721 PTXPCDQAOZJVEU-PLTNMMHCSA-N 441.509 4.156 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1OC(F)F 536669996 GEQXUMFQKYZZGZ-QGZVFWFLSA-N 435.427 4.116 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 536686500 AGUGXVTUUVURBE-HZPDHXFCSA-N 425.485 4.022 5 20 IIBD O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cccc(Br)c3OC(F)F)C2)nc1 538613519 YLFHYYUPWXECGH-LBPRGKRZSA-N 443.248 4.040 5 20 IIBD COc1ccc(CN(C(=O)CCn2cc([N+](=O)[O-])nc2C)[C@H]2CCCC[C@H]2C)cc1OC 539004261 KXLRBBAHZSHZAF-APWZRJJASA-N 444.532 4.115 5 20 IIBD Cc1ccccc1C1(CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CCOCC1 539415081 ZJDPVZROMYIFFW-UHFFFAOYSA-N 431.492 4.443 5 20 IIBD COCCOC[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 539825844 UYQYFVZYBKOZNK-CQSZACIVSA-N 439.306 4.102 5 20 IIBD Cc1ccsc1C(=O)Nc1ccc(Oc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 541174313 HWSSFLHDDXAVCP-UHFFFAOYSA-N 438.508 4.474 5 20 IIBD O=C(NCCNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)c1cccs1 542525812 MMTZRWHBFYAUDA-UHFFFAOYSA-N 433.555 4.098 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 543277278 DUYZTJFDCDMXKP-UHFFFAOYSA-N 434.452 4.202 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1 543386403 LVVAYWDJVLHHIS-UHFFFAOYSA-N 442.299 4.004 5 20 IIBD CCn1c(SC[C@H](O)COc2cc(C)ccc2Cl)nnc1-c1ccc([N+](=O)[O-])cc1 543663964 OFMNHEJMAHXNET-MRXNPFEDSA-N 448.932 4.367 5 20 IIBD O=[N+]([O-])c1ccc(-n2cc(-c3nc(Cc4ccc(Oc5ncccn5)cc4)no3)cn2)cc1 544356330 QBBAXXJJBFYXHZ-UHFFFAOYSA-N 441.407 4.004 5 20 IIBD Cc1ccc(-c2noc(Cc3csc(NC(=O)c4ccoc4C)n3)n2)cc1[N+](=O)[O-] 545570948 LRRXFZZTNUCYBE-UHFFFAOYSA-N 425.426 4.154 5 20 IIBD COc1ccc(Cc2noc(-c3ccc([N+](=O)[O-])c(C)c3)n2)c(Br)c1OC 547084594 AQNCCUNFWLDBMZ-UHFFFAOYSA-N 434.246 4.324 5 20 IIBD CC(=O)NCc1ccc(-c2csc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)n2)o1 547233120 IBBPEMCPWHJIAN-UHFFFAOYSA-N 446.460 4.003 5 20 IIBD COc1cc(OC)cc(C2(F)CCN(C(=O)c3cccc(SC)c3[N+](=O)[O-])CC2)c1 549316334 JMVJGHQUKZULMD-UHFFFAOYSA-N 434.489 4.435 5 20 IIBD CC[C@H](C)Oc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 549491908 HSGFBZOCPGMZJZ-KKSFZXQISA-N 425.485 4.324 5 20 IIBD CC[C@H](Cc1ccccc1)N(CC)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 551458210 MVRNFTVBRWOGAQ-QGZVFWFLSA-N 448.317 4.166 5 20 IIBD COC(=O)CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccc(Cl)cc1 552531416 BCJVQUUWHSECPZ-UHFFFAOYSA-N 429.860 4.121 5 20 IIBD CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c1 554977482 RYLYCXJIDDRQMZ-UHFFFAOYSA-N 446.891 4.155 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)NCC1(c2cccc(Br)c2)CCOCC1 556079108 FTWDACLEYCBFHH-UHFFFAOYSA-N 433.302 4.144 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NCc1nccn1-c1ccccc1 558038097 UUMUXUNOMXWYQI-UHFFFAOYSA-N 449.492 4.193 5 20 IIBD COc1cc(-c2nc([C@H](OC)c3ccc(Br)cc3)no2)cc([N+](=O)[O-])c1C 568326414 BGDIYGRLNNHMNS-MRXNPFEDSA-N 434.246 4.460 5 20 IIBD COc1cc(C(=O)Nc2ccc(Oc3cccnc3)nc2)c([N+](=O)[O-])cc1OC(F)F 569011532 DUHPAVDSYUOAHA-UHFFFAOYSA-N 432.339 4.039 5 20 IIBD Cc1c(Br)cc(C(=O)N2CC[C@@]3(CCc4ccccc4O3)C2)cc1[N+](=O)[O-] 570326117 KDAFOJSPUYFEKX-FQEVSTJZSA-N 431.286 4.276 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CNC[C@@H]2CCO[C@H]2c2ccccc2)c1 575622061 CXPDMIXFPVCCBB-YJBOKZPZSA-N 438.265 4.067 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 576864996 WKLDBJTUXYFQQD-OAHLLOKOSA-N 435.402 4.218 5 20 IIBD Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)n(-c2ccc([N+](=O)[O-])cc2)n1 578259538 NNXDHOIUCGXWGN-UHFFFAOYSA-N 427.269 4.197 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N(CCN1CCCCCC1)C1CCC1 581691901 VMZWFWDPTXBJOP-UHFFFAOYSA-N 430.368 4.290 5 20 IIBD Cc1ccc2snc(C(=O)N[C@@H](CC(=O)OC(C)C)c3ccccc3[N+](=O)[O-])c2c1 582253984 HYFCOQFVCUKZFG-INIZCTEOSA-N 427.482 4.326 5 20 IIBD CC(C)(C)[C@@H](NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(F)cc1F 589025280 HYTOXPJNFNUYPC-FQEVSTJZSA-N 445.466 4.268 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(CNc2ccc(F)c(NC(=O)Cc3ccccc3)c2)c1 589511021 SNIDIOAAYXFWFF-UHFFFAOYSA-N 437.427 4.314 5 20 IIBD CSc1nsc(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)n1 598911269 NMZQNYLLYZSNQY-UHFFFAOYSA-N 425.542 4.337 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 603650955 RSXWHMIHKHVLHG-UHFFFAOYSA-N 437.481 4.267 5 20 IIBD O=C(Cc1csc(-c2ccccc2Cl)n1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 603763370 CRWJNOCVQNXVLT-UHFFFAOYSA-N 442.928 4.263 5 20 IIBD CCc1ccc([C@H](NC(=O)Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)c2cccs2)cc1 603911907 VCZLWMDWSREHQV-NRFANRHFSA-N 437.477 4.032 5 20 IIBD COc1ccc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)cc1[N+](=O)[O-] 604018311 UALZAHMJBUIDGE-JTQLQIEISA-N 443.681 4.103 5 20 IIBD CCN(CC)[C@H](CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccsc1 604442700 OCGQBFNOBLELHF-CXAGYDPISA-N 425.938 4.276 5 20 IIBD CN(C(=O)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H](c1ccccc1)c1ccc(F)cc1 608869671 BZKVIOIKZLVJKC-HSZRJFAPSA-N 445.454 4.240 5 20 IIBD Cc1ccc(-c2ccncc2)cc1NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 609503599 FCMZVZHELIXBHQ-GOSISDBHSA-N 436.493 4.270 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)cc1C 609709117 YEQYFRYFRCMCTJ-KRWDZBQOSA-N 426.947 4.344 5 20 IIBD COCC[C@H](Cc1cccc(Br)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 610151057 MFMQJCONHLGEQD-CQSZACIVSA-N 437.290 4.200 5 20 IIBD Cc1nc([N+](=O)[O-])c(Br)n1CC(=O)Nc1cc(C(F)(F)F)ccc1Cl 726431596 CWETZZXISFALCJ-UHFFFAOYSA-N 441.591 4.173 5 20 IIBD O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CCCC[C@H]1C1OCCO1 726920015 VTYMJGNHEKJHSF-IBGZPJMESA-N 445.903 4.228 5 20 IIBD O=C(COC(=O)c1cnc(Cc2ccc(F)cc2)s1)Nc1cc([N+](=O)[O-])ccc1Cl 727215648 AJPYKDUHDHTQLF-UHFFFAOYSA-N 449.847 4.230 5 20 IIBD CCN(C)[C@@H](C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 731598274 DHQJVUYDXOWBHF-JOCHJYFZSA-N 433.464 4.446 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 731616057 YWXFOCGRFJOHLC-ZDUSSCGKSA-N 425.466 4.095 5 20 IIBD C[C@@H]1CCCCN1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 733777463 CGBLPKWCSAUVSX-WOJBJXKFSA-N 428.577 4.312 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1Cl)C1CCN(C(=O)CCc2ccccc2)CC1 734779943 ONHPILIWXYUYHH-UHFFFAOYSA-N 430.888 4.163 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCc2cccc(OC)c2OC(F)F)cc1SC 734969923 MJJPBUPNQPAWAB-UHFFFAOYSA-N 429.397 4.292 5 20 IIBD O=C(OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccc(Oc2nccs2)c1 737326722 SYRAPIRXPRYHKV-UHFFFAOYSA-N 447.856 4.084 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@H]3C[C@H]3c3c(F)cccc3F)CC2)ccc1[N+](=O)[O-] 739386816 YQUDSMLICBURCG-CVEARBPZSA-N 432.423 4.197 5 20 IIBD O=C(OCc1nc(-c2ccc(Cl)cc2)no1)c1ccc([N+](=O)[O-])cc1Br 740422820 LXLAMRMAWRSKKU-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)cc1 742893581 SNMQXAIFKHEOMV-LBPRGKRZSA-N 425.445 4.309 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(=O)Nc1ccc(F)c(F)c1 744554247 NSULQBPEMRPJGH-ZDUSSCGKSA-N 433.411 4.047 5 20 IIBD Cc1c(C(=O)NCc2cc(Cl)ccc2OC(F)F)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 744779853 AGUMLCOWVXEWLK-UHFFFAOYSA-N 429.763 4.305 5 20 IIBD CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 745074696 WBNIWNXEZITYSB-CQSZACIVSA-N 438.436 4.392 5 20 IIBD CC(C)[C@H](OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)N1C[C@@H](C)C[C@@H](C)C1 745565457 NUZCUACVNRTWFX-AHIWAGSCSA-N 430.423 4.300 5 20 IIBD C[C@@H](OC(=O)[C@@H](C)c1ccc(Br)s1)C(=O)Nc1ccccc1[N+](=O)[O-] 745638489 GCGKQQARFHVMLE-VHSXEESVSA-N 427.276 4.093 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cccc(-c2csc(C)n2)c1 745673565 NXNVFLZCVGDMTM-GFCCVEGCSA-N 441.465 4.219 5 20 IIBD COc1cc(C(=O)O[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)c([N+](=O)[O-])cc1OC 746058602 OBMGZMFLMVFNKQ-JTQLQIEISA-N 433.804 4.233 5 20 IIBD O=C(NCc1ccnc(OC2CCCCC2)c1)c1cc([N+](=O)[O-])ccc1Br 751127263 YYFUQQJOTJXWKP-UHFFFAOYSA-N 434.290 4.394 5 20 IIBD O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1CSC1=NCCS1 751621455 BKUHMSLAICSDSI-UHFFFAOYSA-N 429.479 4.429 5 20 IIBD O=C(Cc1ccc(OCc2ccccn2)cc1)O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 752515694 KQIGAWCWSCROJG-LEWJYISDSA-N 436.468 4.035 5 20 IIBD Cc1noc([C@H](OC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c2ccccc2)n1 753192193 DABGKVPZYMSHTR-MRXNPFEDSA-N 432.230 4.304 5 20 IIBD Cc1ccc(-n2nc(Br)cc2C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 755139887 QLSKUFMPQAVZJI-UHFFFAOYSA-N 427.258 4.054 5 20 IIBD CN(C)C(=O)Sc1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 755280350 BOUGDMVYDYIDDF-UHFFFAOYSA-N 438.303 4.312 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)OCc1csc(-c2cccc(OC)c2OC)n1 755675807 VVJNFBZTJNBUBL-UHFFFAOYSA-N 430.438 4.101 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N[C@@H](CCO)C1CC1 757080676 GIBYJVRQPNFWEP-UMEYKSNOSA-N 437.521 4.412 5 20 IIBD C[C@@H](OC(=O)c1ccn(-c2ccc(Cl)cc2)n1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 757882253 IYEZWABLLOGGLQ-GFCCVEGCSA-N 439.815 4.402 5 20 IIBD O=C(COC(=O)c1cncc(-c2ccccc2)c1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 758103061 LRDGHEPGENVBEU-UHFFFAOYSA-N 445.353 4.471 5 20 IIBD CC[C@@H](OC1CCCCC1)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 761555185 YLRSYLHSMHHLRT-MRXNPFEDSA-N 432.395 4.223 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1cccc2cccnc12 762918982 QWAPDHHJGKBUOL-UHFFFAOYSA-N 426.450 4.155 5 20 IIBD CNC(=O)c1cc(Oc2ccccc2NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)ccn1 764279531 QMWVYWUNAZGMPJ-UHFFFAOYSA-N 426.816 4.047 5 20 IIBD C[C@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])c1cccc(OCc2ccccc2)c1 765667259 OHMSLFMEMXQYLO-KRWDZBQOSA-N 434.448 4.243 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@H](C4OCCO4)C3)o2)c(Br)c1 769308956 CFVFYEIAPYNTFT-ZDUSSCGKSA-N 437.290 4.202 5 20 IIBD O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1cc(Br)cc([N+](=O)[O-])c1 770140436 XOLWGPYEAYJWEI-UHFFFAOYSA-N 438.665 4.390 5 20 IIBD O=C(NC1(c2cccc(OC(F)(F)F)c2)CCOCC1)c1cc(F)c([N+](=O)[O-])cc1F 772787174 WIIQHBUWIACKMK-UHFFFAOYSA-N 446.328 4.207 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1CC(=O)OCc1ccc(Br)c([N+](=O)[O-])c1 773380375 KKINAWQXCMHGNL-UHFFFAOYSA-N 444.285 4.446 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 775089564 GRYCZZWWSHXUNG-UHFFFAOYSA-N 442.493 4.365 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(NCc3c(Br)cccc3[N+](=O)[O-])cc2)C[C@@H](C)O1 775182156 CADJUNKSQBPHNV-OKILXGFUSA-N 448.317 4.219 5 20 IIBD CSc1cccc(C(=O)OCC(=O)c2cc(C)n(-c3cc(C)on3)c2C)c1[N+](=O)[O-] 777078461 ICWZKHACGVLYEB-UHFFFAOYSA-N 429.454 4.060 5 20 IIBD Cc1cc(C(=O)O[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3F)C2)c2c(C(C)C)noc2n1 778810322 MZWZUELAZYULGP-CQSZACIVSA-N 428.420 4.138 5 20 IIBD CCOc1ccccc1NC(=O)[C@@H](OC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1 780071349 GHKWZCBSGSQMTM-NRFANRHFSA-N 436.420 4.236 5 20 IIBD O=C(Nc1c(-c2ccccc2)nc2ccccn12)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781572210 ONICUBAVNNBXHQ-LJQANCHMSA-N 427.420 4.041 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl 783322220 YMAMQGALVIAJFM-CYBMUJFWSA-N 428.659 4.297 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790562851 XGBNARNBLURDNQ-BLLLJJGKSA-N 443.903 4.130 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)O[C@@H]([C@H]1CCCOC1)C(F)(F)F 791043975 GXNLLQHDYDTSBB-ZANVPECISA-N 426.185 4.180 5 20 IIBD O=C(c1cc(-c2ccccc2)no1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791244877 MQAASICLRIBDIR-UHFFFAOYSA-N 428.242 4.211 5 20 IIBD Cc1ccccc1CN(Cc1cccnc1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F 795803024 FHKXUPVVCSZLLU-UHFFFAOYSA-N 449.891 4.482 5 20 IIBD C[C@@H](OC(=O)c1cc2sc(N3CCCC3)nc2s1)C(=O)Nc1ccccc1[N+](=O)[O-] 796313028 IDWCMOJWURZJOK-LLVKDONJSA-N 446.510 4.050 5 20 IIBD Cc1cc(F)cc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)c1[N+](=O)[O-] 800657813 BYLBQEMQJCJSIF-RBUKOAKNSA-N 443.475 4.175 5 20 IIBD C[C@H](NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)c1ccc(Oc2cccnc2)cc1 807899513 SYAXLYUKEQAIQT-OYHNWAKOSA-N 432.436 4.153 5 20 IIBD O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCCC[C@H]2c2nc3ccccc3o2)cc1Cl 809826901 VDBTXYIMTXQQDO-AWEZNQCLSA-N 439.852 4.444 5 20 IIBD CC(C)C[C@H](C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCCCC1=O 811220881 SVJYDYJXCLCWDT-GOSISDBHSA-N 431.514 4.189 5 20 IIBD COc1ccc([C@H](CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])N(C)C)cc1OC 811471883 MFBRFHVXRBMTSV-INIZCTEOSA-N 428.316 4.311 5 20 IIBD C[C@@H](N[C@H](C)c1ccc(-n2cccn2)c(F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 815144398 ZBEGULBOWNLBOI-CHWSQXEVSA-N 431.855 4.251 5 20 IIBD COC(=O)N1CCN(c2ccc(N[C@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)cn2)CC1 815655122 JAWHCNQDEZFGMC-HSZRJFAPSA-N 447.495 4.080 5 20 IIBD C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1ccc(N2CCCOC2=O)cc1 817277865 FWSILSAUXJRMFZ-CQSZACIVSA-N 429.448 4.236 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NC[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] 849208083 XLTXAZVAYDOQGN-HXUWFJFHSA-N 436.489 4.011 5 20 IIBD Cc1ccc(SCC(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)cc1 864244120 LGFIXWVIAGKOFG-UHFFFAOYSA-N 426.498 4.483 5 20 IIBD Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3cc([N+](=O)[O-])c(F)cc3F)c12 897597628 PYHYGMHCCMPSSY-UHFFFAOYSA-N 429.408 4.444 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N(CCc1ccc(F)cc1)C1CCCC1 914517990 CNCNJXSERZCLPT-UHFFFAOYSA-N 441.503 4.198 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N[C@@H](CN1CCOCC1)c1ccccc1 914863429 UTSGOAAEQLZCPQ-HNNXBMFYSA-N 440.378 4.007 5 20 IIBD Cc1ncc(COC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)s1 917498153 LBBZODSVPQFLSA-UHFFFAOYSA-N 429.420 4.338 5 20 IIBD C[C@@H](OC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 919372906 HTVMFSJNAUMZHV-GFCCVEGCSA-N 425.445 4.392 5 20 IIBD COc1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c2ccc(F)cc2)cc1 920016054 SAYLFVVPLDXJIE-OAQYLSRUSA-N 439.399 4.479 5 20 IIBD C[C@H](Nc1ccc(C(=O)OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1[N+](=O)[O-])c1ccccn1 920546609 LKTXRLUDEZQUIC-ZACQAIPSSA-N 440.500 4.109 5 20 IIBD COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 921011122 PEQPJORGWNUOKR-NRFANRHFSA-N 439.399 4.365 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CCCC[C@@H]2C1 1256639059 OAEAUPQUPPAOPC-QWHCGFSZSA-N 428.270 4.160 5 20 IIBD COc1cc(-c2nnc([C@H](C)CN3CCC(C)CC3)o2)c([N+](=O)[O-])cc1OC(F)F 1322538602 UEAXXYBVBQJFMZ-GFCCVEGCSA-N 426.420 4.090 5 20 IIBD Nc1c(C(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)cc(Br)cc1[N+](=O)[O-] 1327146239 MOYQVSFFGYBHIC-ZDUSSCGKSA-N 443.301 4.441 5 20 IIBD O=c1oc2cc([N+](=O)[O-])ccc2n1CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 1328390037 HKECFJHNWXVSDS-UHFFFAOYSA-N 435.223 4.492 5 20 IIBD O=C(c1ccc2c(c1)oc1ccccc12)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 1344350642 GICJAHALZXXIHT-UHFFFAOYSA-N 429.432 4.092 5 20 IIBD O=C(CCc1ccco1)Nc1ccc(C2(NC(=O)Cc3cccc([N+](=O)[O-])c3)CCC2)cc1 1786897839 CEKYVIZNZAEEEX-UHFFFAOYSA-N 447.491 4.497 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])[nH]4)cc3)CCC2)ccc1F 1790187221 HPQZJZRFPFCQAQ-UHFFFAOYSA-N 436.443 4.432 5 20 IIBD CC[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(F)c2[N+](=O)[O-])C3)CC1 1802024356 GFHONMSJCHTKLF-BGRQEXKUSA-N 431.508 4.202 5 20 IIBD Cc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)CC3CCC3)n[nH]2)cc1[N+](=O)[O-] 1823430377 UXIWEZWMBZSZPZ-LJQANCHMSA-N 439.516 4.051 5 20 IIBD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCCC[C@@H]1C1CCN(C(=O)C23CCC(CC2)CC3)CC1 1829835441 AHPMNPSANLAWPD-STWKMJTMSA-N 442.560 4.127 5 20 IIBD C[C@@]1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)CC=CCC1 1832400229 IQOHGJZMHKZNGC-WZONZLPQSA-N 429.517 4.168 5 20 IIBD CC(C)[C@@H](C(=O)N1CC2(CCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)C1)c1ccccc1 1841807181 FPUUBEWRVHXCKC-XMMPIXPASA-N 449.551 4.171 5 20 IIBD CC[C@@H](C)NC(=O)COC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 3455364 SNUVJKHOXKPHAJ-GFCCVEGCSA-N 436.848 4.121 5 20 IIBD Cc1ccc(Cl)c(OCC(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 9448890 CDXOZMLEVGZXAC-UHFFFAOYSA-N 446.765 4.136 5 20 IIBD CC(C)OCc1c(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)oc2ccccc12 10915129 UJHZAKSCBJVSDF-CQSZACIVSA-N 426.425 4.450 5 20 IIBD Cc1oc(C)c(C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1C 16698478 VCHSMIDLAHTBJD-CYBMUJFWSA-N 429.454 4.421 5 20 IIBD COc1ccc(-c2noc(COC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)n2)c(OC)c1 17669072 QNRMFVHGGMNWSU-UHFFFAOYSA-N 441.421 4.234 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1[N+](=O)[O-] 23535409 HLAWGADHSIILBH-UHFFFAOYSA-N 441.553 4.331 5 20 IIBD O=C(N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C12CC3CC(CC(C3)C1)C2 23558325 PLAAHGHWNDATNR-UHFFFAOYSA-N 437.462 4.479 5 20 IIBD CC(=O)Nc1ccc2nc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)sc2c1 25041162 ZZYKQAISMQOMTM-UHFFFAOYSA-N 442.500 4.362 5 20 IIBD COCCCn1c(SCCOc2cccc([N+](=O)[O-])c2)nc2cc(Cl)ccc2c1=O 59122482 CWVBIXWUHJQRPP-UHFFFAOYSA-N 449.916 4.166 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCCc2cc(F)cc(F)c2)cc1[N+](=O)[O-])c1ccccn1 60309800 POKOVMQUAVHXSX-CQSZACIVSA-N 426.423 4.414 5 20 IIBD CCN(CC)[C@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1ccsc1 64113287 HAOGMESYTJCRTF-LJQANCHMSA-N 427.530 4.116 5 20 IIBD C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 109274627 WBGJWMYYVODBLP-CALCHBBNSA-N 447.495 4.151 5 20 IIBD COc1cccc(C(=O)NCCNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1 237337189 BYHXNAQAICFTAI-UHFFFAOYSA-N 429.860 4.036 5 20 IIBD Cc1cccc(C2(CNC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)CCCC2)c1 303413346 APNWCCAYRCEMMK-SFHVURJKSA-N 441.553 4.198 5 20 IIBD O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 409945943 HALMEMQCXPXNOM-UHFFFAOYSA-N 426.285 4.174 5 20 IIBD O=C(NCC1(c2ccc(F)cc2Cl)CCCC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 426210689 NDZJELJEUJJBDK-UHFFFAOYSA-N 449.914 4.442 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cccc(F)c3-c3nc[nH]n3)cc2[N+](=O)[O-])C1 428231958 SPEJWBADPNVUKW-KBPBESRZSA-N 438.463 4.254 5 20 IIBD Cc1nc(N2CCOCC2)ccc1NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 432883435 JBXMNDWOPOHFSX-UHFFFAOYSA-N 433.468 4.131 5 20 IIBD CCc1cc(=NC(=O)c2ccccc2OCc2cscn2)c2cc([N+](=O)[O-])ccc2[nH]1 432999774 MZPRIAHRSDKGSI-UHFFFAOYSA-N 434.477 4.415 5 20 IIBD CC1(C)C[C@@H](NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c2cc([N+](=O)[O-])ccc21 433147622 YYWCOALXVWXPNE-JOCHJYFZSA-N 443.569 4.282 5 20 IIBD COc1ccc(OC)c([C@@H](C)NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1 435836084 OSBWWFCQAOOGPF-GFCCVEGCSA-N 438.430 4.468 5 20 IIBD O=C(NCCCN1CCc2ccccc21)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 435922956 MHVSIICBKJANTH-UHFFFAOYSA-N 433.458 4.142 5 20 IIBD CN(C)CCOc1ccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1 436062797 JXFKCTBAXRKXAL-UHFFFAOYSA-N 437.446 4.152 5 20 IIBD CC[C@@H](NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)c1ccccc1OCC(=O)N(C)C 438981796 VLNODWCCMLEZDA-LJQANCHMSA-N 427.501 4.066 5 20 IIBD COc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 439104101 YWRGMYAPZMURRX-UHFFFAOYSA-N 425.485 4.218 5 20 IIBD CCN(Cc1ccccn1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 440218925 SGLUYNONHXYXRG-UHFFFAOYSA-N 442.522 4.190 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@@H](c4nc(C(F)(F)F)cs4)C3)n2)c1 441100110 XYZOXYZKJDTFDX-GFCCVEGCSA-N 439.419 4.500 5 20 IIBD O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCC[C@H]1[C@H](O)C(F)(F)F 442632967 GUVCCUWPSHMMNQ-YOEHRIQHSA-N 426.416 4.274 5 20 IIBD O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nnc3n2CCC3)C1 442732672 XDDKTPWDZAEDEM-MRXNPFEDSA-N 449.536 4.304 5 20 IIBD Cc1ccc(OCc2ccccc2)c(NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)c1 443193010 UGFRTXAZWBOULY-QGZVFWFLSA-N 433.464 4.239 5 20 IIBD O=C(NCCn1cc([N+](=O)[O-])cn1)c1c(Cl)cccc1Oc1ccc(F)c(Cl)c1 444245117 WUJRRYPJDFYDMV-UHFFFAOYSA-N 439.230 4.460 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1 444631798 MXFMLBLDEKFMDG-OAQYLSRUSA-N 438.390 4.186 5 20 IIBD COc1ccc(Cl)cc1-c1cc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)n[nH]1 444697417 YCDVNGLLOTYAMV-UHFFFAOYSA-N 444.878 4.986 5 20 IIBD CCSc1ccc(-c2noc(CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)n2)cc1 445750105 OEFNLZKXOODCSL-UHFFFAOYSA-N 426.454 4.298 5 20 IIBD CCCc1c(NC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cnn1-c1cccc(C)c1 446406234 QDVUTOMJDGOFGY-UHFFFAOYSA-N 433.472 4.239 5 20 IIBD COc1cc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)ccc1OCC(F)(F)F 447536863 QRSINFVBRBFQRX-GJZGRUSLSA-N 428.411 4.015 5 20 IIBD Cc1c(Br)ccc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1F 447638986 HYCUWDLSKZUFDH-UHFFFAOYSA-N 433.237 4.458 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCc2c(ncn2-c2ccccc2)C1 447666992 CUJJDBWCFZFVDG-UHFFFAOYSA-N 439.344 4.392 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N(C)CC[C@H]3CCCCN3C)cc2[N+](=O)[O-])n1 461259230 SRDVNJJQRYHRJC-MRXNPFEDSA-N 434.587 4.457 5 20 IIBD CC(C)COc1ccccc1CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465723717 RGJHBDNIRUKOTJ-UHFFFAOYSA-N 427.501 4.383 5 20 IIBD CCn1c(SCC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)nnc1-c1cccc(C)c1 466296124 IHGUGHWYLAGTFL-UHFFFAOYSA-N 445.932 4.244 5 20 IIBD C[C@@H](CO[C@H]1CCOC1)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 466438448 LRGJCRXFFWWXLH-ZFWWWQNUSA-N 436.917 4.323 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CNc2ccc(F)cc2C(=O)N(C)C)cc1OC 467264255 KQFDIQKQXLXZKF-AWEZNQCLSA-N 433.480 4.481 5 20 IIBD CC(C)(C)c1nc2ccc(NC(=O)C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)cc2s1 467867020 ZWBRDIOVZMGISF-UHFFFAOYSA-N 446.916 4.410 5 20 IIBD C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)c1cc2ccccc2o1 468301529 VHRYWNIGGDBDLY-SNVBAGLBSA-N 436.205 4.437 5 20 IIBD O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 468677967 SXKPDXSWHOUMRX-KRWDZBQOSA-N 427.354 4.200 5 20 IIBD COc1cc(OCC(=O)N(C)[C@H](c2ccc(Cl)cc2)C(F)(F)F)ccc1[N+](=O)[O-] 469209019 XALDOZXBPIIWJZ-QGZVFWFLSA-N 432.782 4.398 5 20 IIBD CCOC(=O)c1ccc2c(c1)CCCN2C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 469309496 ZLMOLEVNLSGWRQ-UHFFFAOYSA-N 437.477 4.488 5 20 IIBD CO[C@@H](C)c1nc(CN2CCCN(C/C(C)=C/c3cccc([N+](=O)[O-])c3)CC2)cs1 470183610 RLUKKMSWVSIHFV-WQJNHMDYSA-N 430.574 4.370 5 20 IIBD CCOc1cc(NC(=O)N2C[C@H](C)O[C@H](c3ccsc3)C2)c([N+](=O)[O-])cc1OCC 470793345 PTWFXALJJKCKFM-DJJJIMSYSA-N 435.502 4.448 5 20 IIBD O=C1CNC(=O)N1c1cc(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)ccc1F 475561319 BISAVVWTNVRTGO-UHFFFAOYSA-N 426.429 4.131 5 20 IIBD CCC(=O)[C@H]1CCCCN1C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 477620034 DRUVDSOGXQAADP-QGZVFWFLSA-N 441.450 4.190 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCOc2cc(Br)c(Cl)cc21 477748903 XRCIAKVGMGEQPU-UHFFFAOYSA-N 429.629 4.118 5 20 IIBD COC(=O)c1cc(F)cc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1F 478096103 LGMUCMCXLSMPHL-UHFFFAOYSA-N 433.411 4.148 5 20 IIBD COc1ccc(CN(CCc2ccccn2)C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 478147426 XLKQAGFJZMMYKH-UHFFFAOYSA-N 444.491 4.294 5 20 IIBD Cc1[nH]nc(C(=O)N[C@@H](C)c2nc(-c3ccc(Br)cc3)cs2)c1[N+](=O)[O-] 478746243 MTJJURYPOBNTDY-VIFPVBQESA-N 436.291 4.003 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[C@@H](OCc2ccncc2)C1 479320123 NMXXULWXBRONIY-OAHLLOKOSA-N 429.274 4.096 5 20 IIBD CCS(=O)(=O)c1ccc(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])s1 480510776 BASSUMYHPAAXDL-UHFFFAOYSA-N 445.391 4.111 5 20 IIBD COc1cc(C(=O)N(C)Cc2ccc(Br)cc2Cl)c([N+](=O)[O-])cc1OC 482350957 KZEVVSBZOARGGY-UHFFFAOYSA-N 443.681 4.300 5 20 IIBD O=C(NCCCOc1ccc(C(F)(F)F)cn1)c1c([N+](=O)[O-])cccc1C(F)(F)F 482767915 OMGHZTYCWAACLN-UHFFFAOYSA-N 437.296 4.226 5 20 IIBD C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 483279776 SKZUFWDJCDQEPG-SNVBAGLBSA-N 448.248 4.111 5 20 IIBD CCCCc1nc(C(=O)OCC)c(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)[nH]1 485702192 NTRSHYVSUWEYLE-UHFFFAOYSA-N 446.507 4.036 5 20 IIBD C[C@@H]1CCCN(Cc2csc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])n2)C1 485893889 GLCKPEXKWFCLLK-LLVKDONJSA-N 439.335 4.298 5 20 IIBD COc1ccc(C(C)(C)CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1OC 487775792 XPLYDOYAQJCAIU-UHFFFAOYSA-N 427.501 4.264 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)cc1[N+](=O)[O-] 488072127 UKQKMCMBNKZWCP-CYBMUJFWSA-N 425.466 4.175 5 20 IIBD CCOC(=O)c1ccnc(N2C[C@H](c3cccc(C(F)(F)F)c3)O[C@H](C)C2)c1[N+](=O)[O-] 488702214 IOTYNHLXIVKONU-MLGOLLRUSA-N 439.390 4.152 5 20 IIBD Cc1cccc([C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 488920687 YXKHFAQVISWLKK-OAHLLOKOSA-N 425.304 4.192 5 20 IIBD COc1cc(CN=c2cc(C)[nH]c(-c3ccc([N+](=O)[O-])cc3)n2)ccc1OCC(F)(F)F 489234478 SFLSFEQDVPWMJQ-UHFFFAOYSA-N 448.401 4.344 5 20 IIBD C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1OCCc2sccc21 490373255 NNGFSGQFFCYACS-HWPZZCPQSA-N 429.420 4.177 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c(C)cc1Br 494387780 VIIWHOBMDJBTBT-LLVKDONJSA-N 436.262 4.335 5 20 IIBD Cc1ccc(NCCCNC(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)c([N+](=O)[O-])c1 498560606 SGFRBPAMHYXTBH-UHFFFAOYSA-N 449.389 4.204 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)cc1[N+](=O)[O-] 498880102 LTQOBHJEVIVQDS-QFIPXVFZSA-N 441.484 4.277 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NCC2(C)CCOCC2)c([N+](=O)[O-])c1 499663117 JJAHBODMLXBAPP-UHFFFAOYSA-N 433.530 4.039 5 20 IIBD Cc1ccc(Cl)c(N(Cc2cccnc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 500759485 RAPXBNDZSMVUIB-UHFFFAOYSA-N 435.864 4.486 5 20 IIBD O=[N+]([O-])c1cc2c(c(C[S@@](=O)Cc3csc(-c4ccc(F)cc4)n3)c1)OCOC2 501310535 YFKQKAQIAULQQT-GDLZYMKVSA-N 434.470 4.173 5 20 IIBD O=C(Nc1ccc(Br)cc1)C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 504528586 WXJDSYNWSVWEHQ-UHFFFAOYSA-N 448.317 4.087 5 20 IIBD Cc1ccc(C(C)C)c(Oc2ccc(CN(C)[C@@H]3CCS(=O)(=O)C3)cc2[N+](=O)[O-])c1 505329440 CXLFFPWYDCGWPF-GOSISDBHSA-N 432.542 4.438 5 20 IIBD CCN(CC)C(=O)COc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1Cl 505568421 JTFSKZKRPNZAFR-UHFFFAOYSA-N 440.283 4.401 5 20 IIBD CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 506491036 YFSBVPQNMAARJJ-UHFFFAOYSA-N 432.427 4.320 5 20 IIBD Cc1ccc(S(=O)(=O)NCc2ccc(COCc3ccccc3)cc2)c([N+](=O)[O-])c1 507413623 LUJMXWGBFKMOTF-UHFFFAOYSA-N 426.494 4.099 5 20 IIBD C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)c1nncn1C 507588015 MJZAYLIUDZCRQR-LBPRGKRZSA-N 431.905 4.061 5 20 IIBD Cc1ccc(-c2noc([C@H](C)Sc3ccc([N+](=O)[O-])c(S(C)(=O)=O)c3)n2)cc1F 507613454 BYOQTFYAGMKSTD-NSHDSACASA-N 437.474 4.349 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCc2ccccc2-n2ccnc2)cc1[N+](=O)[O-])c1ccccn1 509067909 KNSNZRDSZITDQF-QGZVFWFLSA-N 442.479 4.279 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)cc1OC 511374996 CHDJJVXOWLBLGX-HNNXBMFYSA-N 430.457 4.202 5 20 IIBD C[C@H]1CCCN(c2ccc(C(=O)N3CC[C@H](n4ncc5ccccc54)C3)cc2[N+](=O)[O-])C1 511738270 FTMQFPDXKMMNSH-PXNSSMCTSA-N 433.512 4.268 5 20 IIBD COc1ccc2c(c1)CN(Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-])CC2 512041481 TVDWAKHDWDLHCM-UHFFFAOYSA-N 426.391 4.111 5 20 IIBD O=C(c1cccc(CS(=O)(=O)c2ccccc2)c1)N1CCCc2c1cccc2[N+](=O)[O-] 513840981 KWGCQJSMWGJSHX-UHFFFAOYSA-N 436.489 4.162 5 20 IIBD CS(=O)(=O)c1cc(C(=O)N2CCCCC[C@H]2c2ccc(Cl)cc2)cc([N+](=O)[O-])c1 518493485 JHRIOIJMGQPRAX-IBGZPJMESA-N 436.917 4.409 5 20 IIBD COc1ccc(Cl)cc1C1(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCOCC1 518686931 GKWSPHFJRQUNTK-UHFFFAOYSA-N 445.903 4.302 5 20 IIBD Cc1nn(-c2ccc(Br)cc2)c(NC(=O)COc2cccc([N+](=O)[O-])c2)c1C 522880436 FKTJLOXINCZKTI-UHFFFAOYSA-N 445.273 4.177 5 20 IIBD O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCO[C@H](c2ccc(Br)cc2)C1 522980006 BCHCDJYIMBANLS-INIZCTEOSA-N 425.666 4.224 5 20 IIBD NC(=O)c1ccc(SCc2nc(-c3c(Cl)cccc3Cl)no2)c([N+](=O)[O-])c1 524627285 GFSRYXYEYPQFPJ-UHFFFAOYSA-N 425.253 4.343 5 20 IIBD O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 525153173 BAWYAZYPZIYHME-GOSISDBHSA-N 436.295 4.464 5 20 IIBD CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccccc1N1CCCC1 532896808 XKLDUZNWJVMCSY-UHFFFAOYSA-N 447.333 4.028 5 20 IIBD CCc1csc(-n2cc(C(=O)Nc3nc(-c4ccc(C)c([N+](=O)[O-])c4)cs3)cn2)n1 534949282 ZTUXBGLKASJPKF-UHFFFAOYSA-N 440.510 4.484 5 20 IIBD COc1ccc([C@H](OC)[C@H](C)NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 536777956 NPUHCNXSBZSZLK-KPZWWZAWSA-N 442.390 4.051 5 20 IIBD C[C@@H]([C@H](C)S(C)(=O)=O)N(C)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 537625062 HXRIMOQNCJSBEF-KBPBESRZSA-N 426.922 4.294 5 20 IIBD C[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OCC(F)(F)F)cc1 538163199 SASCUEGHSXKVQF-LLVKDONJSA-N 431.798 4.479 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2c(OC(F)F)ccc3ccccc23)CC1 538717166 HYQWXNDAOXEFRR-UHFFFAOYSA-N 441.434 4.307 5 20 IIBD O=C(c1cnoc1-c1ccc(F)cc1Cl)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 539415516 GUWGYMMMKATNQA-UHFFFAOYSA-N 430.823 4.005 5 20 IIBD CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)N=c1cc[nH]cc1[N+](=O)[O-] 541925096 SDBNDFIBMBCPCF-UHFFFAOYSA-N 442.497 4.115 5 20 IIBD C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCCc1ccc(Cl)cc1[N+](=O)[O-] 544042899 GABGORYSLLNRFN-AWEZNQCLSA-N 444.919 4.146 5 20 IIBD COc1cccc(COCc2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)c1 545015817 FYCOPNYBOKVUNE-UHFFFAOYSA-N 434.246 4.057 5 20 IIBD CN(Cc1nnc2n1CCC2)C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 545219834 YFCCMCCLOGCPLJ-UHFFFAOYSA-N 443.916 4.209 5 20 IIBD Cn1c(SCc2coc(-c3c(F)cccc3F)n2)nc2cc([N+](=O)[O-])ccc2c1=O 545841993 YMVPGZHOJKPCFU-UHFFFAOYSA-N 430.392 4.067 5 20 IIBD CSCc1ccccc1NC(=O)c1cc(I)cc([N+](=O)[O-])c1 546765849 MMWQOUAWSUTYOU-UHFFFAOYSA-N 428.251 4.315 5 20 IIBD Cc1ccc(NCCCNC(=O)C2(Cc3ccc(F)cc3)CCOCC2)c([N+](=O)[O-])c1 551366034 ZWWRXAIQJGTQHB-UHFFFAOYSA-N 429.492 4.000 5 20 IIBD O=C(Nc1ccc(Cl)cc1Br)c1cccc([N+](=O)[O-])c1N1CCOCC1 553659560 DKACBCLRMROGSR-UHFFFAOYSA-N 440.681 4.100 5 20 IIBD Cc1c(C(=O)N(CCc2ccc(Cl)cc2)C[C@@H](O)C(F)(F)F)cccc1[N+](=O)[O-] 555104586 IRLCNNQSBQMFOY-QGZVFWFLSA-N 430.810 4.165 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 555927782 YDWPDXFEMJUEOO-DLBZAZTESA-N 441.228 4.204 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)c1cnn2c1OCCC2 556250213 UZYFVMWJHFIUMW-UHFFFAOYSA-N 446.822 4.089 5 20 IIBD COC(=O)c1sc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)nc1C1CC1 556429962 RWDZRMADNUNDQY-UHFFFAOYSA-N 440.275 4.039 5 20 IIBD CC1(C)C(=O)N[C@@H]1C1CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 570959457 CKTXEPHBVSZGRC-HXUWFJFHSA-N 439.537 4.123 5 20 IIBD COc1ccncc1CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 572489983 LPTUUQGFWSECFE-UHFFFAOYSA-N 426.860 4.194 5 20 IIBD COc1ccc(CN2CC[C@@H](N3CCCC3)[C@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 575164049 SKDZYPDJFNLVDT-XMSQKQJNSA-N 425.529 4.241 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CC(C)(C)[C@H]3c3cnn(C)c3)cc2[N+](=O)[O-])n1 580475491 ZGMYNDDLSCUJPH-QGZVFWFLSA-N 443.554 4.468 5 20 IIBD Cc1ccc(C)c(SCc2noc(-c3cccc([N+](=O)[O-])c3N3CCOCC3)n2)c1 580740365 DNKWGRODVMAEJR-UHFFFAOYSA-N 426.498 4.391 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC1(c2cccc(C(F)(F)F)c2)CCOCC1 584878551 HZRMHIXJNSEWAQ-UHFFFAOYSA-N 437.418 4.156 5 20 IIBD NC(=O)Cc1ccc(CNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)cc1 589320877 SYLHJTRAPJCTGR-UHFFFAOYSA-N 425.872 4.358 5 20 IIBD COc1ccc(CNC(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)cc1[N+](=O)[O-] 604086332 ATLQVMZYJMNWBU-UHFFFAOYSA-N 437.500 4.467 5 20 IIBD COc1ccc(C(C)(C)C)cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 608802560 DILQEMIKEHSRAY-FQEVSTJZSA-N 439.512 4.453 5 20 IIBD Cc1c(C(=O)Nc2ccc(NCCc3ccccc3)cc2)nnn1-c1cccc([N+](=O)[O-])c1 609477054 FGUCFXGOVVBADU-UHFFFAOYSA-N 442.479 4.391 5 20 IIBD COc1cc(C(=O)NC[C@@H]2CCc3ccccc32)c([N+](=O)[O-])cc1OCc1cscn1 609506599 FOBXVVPFRRVBDX-HNNXBMFYSA-N 439.493 4.099 5 20 IIBD CCOc1cc(C(=O)N2C[C@H](c3ccccc3Cl)OC[C@H]2C)c([N+](=O)[O-])cc1OC 609509154 ISBQFUHIYHYHEJ-ZUOKHONESA-N 434.876 4.258 5 20 IIBD CNc1ccc(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)cc1[N+](=O)[O-] 609531615 YSSZRNSBEBCNCG-UHFFFAOYSA-N 434.275 4.170 5 20 IIBD CN(CC(=O)Nc1cc(N(C)Cc2ccsc2)ccc1[N+](=O)[O-])Cc1ccsc1 611204010 VDAXLXYAUUKCDE-UHFFFAOYSA-N 430.555 4.425 5 20 IIBD CC(C)c1ccnc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)CC2)n1 613427527 GQFPEZGTRTZBSN-UHFFFAOYSA-N 447.495 4.263 5 20 IIBD COC(=O)C[C@H](NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1ccncc1 615668406 KGUMFBLFHNAUJM-FQEVSTJZSA-N 437.477 4.175 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1 726323642 LTMOSVGEIFDVLM-UHFFFAOYSA-N 442.449 4.132 5 20 IIBD COc1cc(COC(=O)c2cn(-c3ccccc3)nc2C)c([N+](=O)[O-])cc1OC(F)F 726678348 XBPLDTLQEIZPQO-UHFFFAOYSA-N 433.367 4.056 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@H](C)Oc1ccccc1Cc1ccccc1 728352121 YGXPIJBVHLCBKF-SFHVURJKSA-N 448.475 4.443 5 20 IIBD Cc1ccc(F)c2c1N(C(=O)c1ccc(I)c([N+](=O)[O-])c1)CCC2 731329603 BHACNOFOCMADMH-UHFFFAOYSA-N 440.212 4.240 5 20 IIBD O=C(OCc1ccc(Cl)c(Cl)c1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 731959285 HKGFVRPVJLNSHW-CYBMUJFWSA-N 429.281 4.311 5 20 IIBD O=C(Oc1ccc(Cc2ccccc2)cc1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 731983308 BRKJKXJNDGJGQY-LJQANCHMSA-N 436.489 4.457 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C1CCCCC1 732155126 JPDCXQNKMHDWCR-LJQANCHMSA-N 430.505 4.280 5 20 IIBD COc1c([N+](=O)[O-])cc(NCCc2cccc(F)c2F)c([N+](=O)[O-])c1Br 732804854 GIOSOILQVBNBDP-UHFFFAOYSA-N 432.177 4.207 5 20 IIBD CC1=C(C(=O)OCC(C)C)[C@H](c2csc(-c3cccc([N+](=O)[O-])c3)n2)N(C)C(=O)N1C 733121057 JBQBLEGCWYHOKS-SFHVURJKSA-N 444.513 4.230 5 20 IIBD COc1ccc(OC(F)F)c(COC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 734327826 DJYUECRPFWJPAJ-UHFFFAOYSA-N 436.411 4.165 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 735803031 SOEWWDXNIZYLBX-BQYQJAHWSA-N 427.888 4.447 5 20 IIBD Cc1cc([C@@H]2CCCN2C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)no1 736069084 LWOQPPXEYCCNJH-INIZCTEOSA-N 436.255 4.361 5 20 IIBD CN(C[C@H]1CCCN(Cn2c(=S)oc3ccc([N+](=O)[O-])cc32)C1)C(=O)OC(C)(C)C 738087183 WZRXAZXHSRQUPG-CQSZACIVSA-N 436.534 4.408 5 20 IIBD COC[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)C1 739757753 UQVQVFVHHMKLPB-OAQYLSRUSA-N 437.540 4.162 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)c1ccc(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 742425792 HZNIIEWTDBMQCM-CYBMUJFWSA-N 435.502 4.328 5 20 IIBD Cc1ccc([C@H](Nc2nc3ccccn3c2[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 742426488 XBSDQJXKAQSKIC-FQEVSTJZSA-N 436.493 4.156 5 20 IIBD Cc1ccc(NCCCNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 742696708 SCNSEAQHGQOZNQ-UHFFFAOYSA-N 426.351 4.062 5 20 IIBD COc1ccc2sc(C(=O)OCCNC(=O)c3ccc([N+](=O)[O-])cc3Cl)c(C)c2c1 744066343 LCQMHLWZDWLESA-UHFFFAOYSA-N 448.884 4.367 5 20 IIBD O=C(OCc1ncc(-c2ccccc2Br)o1)c1cc2c(cc1[N+](=O)[O-])OCO2 744514033 XRTUXYFEGDFTPH-UHFFFAOYSA-N 447.197 4.098 5 20 IIBD O=C(Nc1ccccc1C(=O)OCC(=O)C1CCCC1)c1ccc([N+](=O)[O-])cc1Cl 744569117 UDMVUSOPRZPSOI-UHFFFAOYSA-N 430.844 4.417 5 20 IIBD CC(C)CCc1nc(COC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cs1 745025883 AHRVSMRHMOFENY-CQSZACIVSA-N 437.543 4.049 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)CN(C)c2ccccc2[N+](=O)[O-])c2ccccc2)cc1 745615996 PBZCWPCMFIPCKA-HSZRJFAPSA-N 433.464 4.263 5 20 IIBD O=C(Nc1ccccc1)c1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 746701504 AHUJEKYSAHWKMC-UHFFFAOYSA-N 432.841 4.268 5 20 IIBD CC(C)n1c(S)nnc1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 747414251 BPHMHTJCENOIDE-NSHDSACASA-N 443.451 4.095 5 20 IIBD O=C(NCC(=O)Oc1ccc(-c2ccccc2)cc1Cl)NCc1ccc([N+](=O)[O-])cc1 748482041 JDPZQFGYGHSXKY-UHFFFAOYSA-N 439.855 4.320 5 20 IIBD Cc1cc(O[C@@H](C)C(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)ccc1Cl 749358686 NVZORCWCQVWZRD-HNNXBMFYSA-N 433.892 4.179 5 20 IIBD CN(C(=O)c1ccccc1C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 751624406 VOMKCUAQEWAPEH-UHFFFAOYSA-N 431.404 4.370 5 20 IIBD COc1ccc2nc(C3CC3)cc(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)c2c1 751824217 WILAFGRYYJKRBK-UHFFFAOYSA-N 435.436 4.133 5 20 IIBD CCCCOc1ccc(-c2nnc(COC(=O)c3c(F)ccc([N+](=O)[O-])c3F)o2)cc1 752567790 WBDJSBOPSQDREK-UHFFFAOYSA-N 433.367 4.459 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2c(F)cc(Br)cc2F)cc1[N+](=O)[O-] 753079589 MRUXOLBUQSLCPH-UHFFFAOYSA-N 441.637 4.398 5 20 IIBD C[C@H](OC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)N[C@H](C)c1cc2ccccc2o1 755068298 UPABNDYSJICSBI-MJBXVCDLSA-N 428.416 4.393 5 20 IIBD COc1c(S(=O)(=O)Oc2ccc(SC)cc2)cc(Br)c(C)c1[N+](=O)[O-] 755069978 ADPCVWBVSOSEBZ-UHFFFAOYSA-N 448.316 4.164 5 20 IIBD COc1cccc(OC)c1OC1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 756964268 SQMRLFPRKFPUMU-UHFFFAOYSA-N 449.891 4.018 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1ccccc1Oc1cccc(F)c1 757273835 YKOUNLRENMDPAQ-UHFFFAOYSA-N 443.818 4.435 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1Br 758233046 FINPEYKWUJXNGJ-QWHCGFSZSA-N 440.091 4.406 5 20 IIBD COc1cccc(COC(=O)c2cccc([N+](=O)[O-])c2Br)c1OC(F)F 758365848 YQFOVTICEXBSFK-UHFFFAOYSA-N 432.173 4.324 5 20 IIBD CC(C)Cn1ncc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c1-c1ccccc1 759022539 BRLQTKGQHHMZFD-UHFFFAOYSA-N 440.431 4.049 5 20 IIBD CC(C)Oc1cc(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)ccn1 759719119 VHAIYRVZPGOEFW-IBGZPJMESA-N 441.484 4.019 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CCO[C@H](c2ccc(F)cc2Cl)C1 760872137 ACKSFQNYLHDGSE-HNNXBMFYSA-N 443.656 4.364 5 20 IIBD CSc1ccc(C(=O)NC[C@@H](O)c2cccc(OCc3ccccc3)c2)cc1[N+](=O)[O-] 761609622 VOQLUPGTLYVXDV-OAQYLSRUSA-N 438.505 4.359 5 20 IIBD Cc1cc(-c2noc([C@@H](C)OC(=O)c3cc([N+](=O)[O-])c4nsnc4c3)n2)ccc1F 762965651 CXDJFNAZEBVWCQ-SECBINFHSA-N 429.389 4.015 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)C1 765834717 BDDOOBZLVGURFV-HNAYVOBHSA-N 435.546 4.206 5 20 IIBD CC(=O)[C@H](Cc1ccc(F)cc1F)OC(=O)Cn1c2ccccc2c(=O)c2ccccc21 768544751 VRVFDNDZMCSMDT-QHCPKHFHSA-N 435.426 4.176 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ncccc2OCc2cccc(Cl)c2)cs1 768862223 JCXYQMCDSNGEHE-UHFFFAOYSA-N 425.875 4.085 5 20 IIBD C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 772202799 UJQADLQUYHPSLQ-UKRRQHHQSA-N 446.529 4.236 5 20 IIBD Cc1c(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])csc1Br 772459912 ZDPJDHBKCYJQJT-UHFFFAOYSA-N 433.667 4.176 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccccc1Cl 773603852 NHBFXQIVHZTPPD-MRVPVSSYSA-N 447.694 4.106 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] 773894684 VENWXNGSXNXIAW-APPDUMDISA-N 425.254 4.311 5 20 IIBD O=C(COC(=O)[C@@H]1CCc2c(Cl)cccc21)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 775928310 LPGWSUXOYXJYCK-CYBMUJFWSA-N 442.777 4.479 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)N2Cc3ccccc3-c3ccccc32)cc1[N+](=O)[O-] 777610871 XGXANGBQFPBXGA-UHFFFAOYSA-N 439.449 4.149 5 20 IIBD CCN(Cc1cccc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c1)C(=O)C(F)(F)F 777943112 SLPIJNLTWIGUKF-UHFFFAOYSA-N 445.344 4.236 5 20 IIBD CC1=C(C(=O)Nc2cccc(C)c2C)[C@H](c2ccc([N+](=O)[O-])cc2F)NC(=S)N1C 777943159 UZMPDWXWMPLEIP-IBGZPJMESA-N 428.489 4.124 5 20 IIBD Cc1c(C(=O)N[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)cc([N+](=O)[O-])cc1[N+](=O)[O-] 781203031 METGZSACTDOWKE-CQSZACIVSA-N 449.288 4.446 5 20 IIBD C[C@H](OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 781259502 FLXQHEMMIFHGGY-WDHIOAMHSA-N 432.520 4.168 5 20 IIBD COc1ccc(-c2nc(COC(=O)c3cccc([N+](=O)[O-])c3Br)co2)cc1 781675524 GQBROEJLHLEYMJ-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD CC1CCN(Cc2csc(NC(=O)c3cccc([N+](=O)[O-])c3Br)n2)CC1 782164662 UGWUYGWJXCKSDX-UHFFFAOYSA-N 439.335 4.298 5 20 IIBD O=C(CCN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)Nc1cc([N+](=O)[O-])ccc1F 782525809 BFKPGVWONMNRCA-NSHDSACASA-N 446.426 4.417 5 20 IIBD O=C(NCc1ccc(N2CCOC2=O)cc1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 783549202 IODIPNSWKYIEJC-UHFFFAOYSA-N 433.420 4.274 5 20 IIBD CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2Cl)NC(=S)N1 783941430 XUZYAJVIHZLFGR-MRXNPFEDSA-N 437.308 4.333 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)C[C@H](C)c1c[nH]c2ccccc12 787228640 UWWGRQYJRGRVIL-KBPBESRZSA-N 425.441 4.149 5 20 IIBD COc1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cnc1Br 788424419 XJMFYFMKBGDEAC-UHFFFAOYSA-N 435.259 4.137 5 20 IIBD Cc1cc(C)c(N2CC[C@H](OC(=O)c3ccc([N+](=O)[O-])cc3Br)C2=O)c(C)c1 789055314 PRHGFXHXWOYGAY-KRWDZBQOSA-N 447.285 4.245 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)[C@@H]2CCC(=O)c3cccn32)c2ccccc2)c([N+](=O)[O-])c1 789236881 ISNZNWYYSFCYKT-UGKGYDQZSA-N 447.447 4.146 5 20 IIBD CC[C@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@@H](c1ccc(C)cc1)n1cncn1 790561303 ZTKGODRILNHTJP-GHTZIAJQSA-N 445.882 4.014 5 20 IIBD COCC1(CNC/C(C)=C\c2cccc([N+](=O)[O-])c2)CCN(C(=O)OC(C)(C)C)CC1 790652989 WTICRBFGOCOGCL-AQTBWJFISA-N 433.549 4.251 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)N(C)C(c1ccccc1)c1ccccc1 795711019 LUEMDSQIZQQEFG-UHFFFAOYSA-N 448.475 4.398 5 20 IIBD CC(C)(C(=O)N(c1cccc(O)c1)S(=O)(=O)c1ccccc1)c1ccccc1[N+](=O)[O-] 796910386 LCOLMNBIZDTQFF-UHFFFAOYSA-N 440.477 4.000 5 20 IIBD O=C(CN1CCc2cc([N+](=O)[O-])ccc21)N1N=C(c2cccs2)C[C@@H]1c1cccs1 797675122 XLJVJIBEYWOCNU-GOSISDBHSA-N 438.534 4.458 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccccc2C)n1CC 798543056 OEQJGVPBAISJOG-UHFFFAOYSA-N 441.513 4.311 5 20 IIBD CN(C(=O)COC(=O)C(C)(C)c1csc(-c2cccs2)n1)c1ccc([N+](=O)[O-])cc1 800293070 VTAJLLOKAFRPLK-UHFFFAOYSA-N 445.522 4.264 5 20 IIBD CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@H](c2ccncc2)C1 800331710 BUFQKTZFRBBZFR-SFHVURJKSA-N 446.891 4.077 5 20 IIBD CC(C)c1ccc(C(=O)OCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)cc1[N+](=O)[O-] 800979984 HFKJKPWTOQKCOT-UHFFFAOYSA-N 445.415 4.498 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 803762641 QYPQZWQURYVVSC-AWEZNQCLSA-N 425.890 4.415 5 20 IIBD O=C(NCCc1ccc2[nH]ccc2c1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 807208405 MCCYLWLILGTPRF-UHFFFAOYSA-N 443.301 4.149 5 20 IIBD Cc1c(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cnn1-c1ccc(Cl)cc1 808915814 XYRKAONNZKWFCJ-UHFFFAOYSA-N 440.891 4.096 5 20 IIBD Cc1cc(I)cn(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1=O 809960691 VRJZMECEANUYBZ-UHFFFAOYSA-N 439.036 4.025 5 20 IIBD CC(C)C[C@H](NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1cccs1 810355068 QOHKNOCTWOGXEZ-ZDUSSCGKSA-N 440.319 4.261 5 20 IIBD C[C@H](N[C@H](C)c1ccc(N2CCCOC2=O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 814249627 LYYCNRVIJVNSSX-KGLIPLIRSA-N 446.891 4.273 5 20 IIBD Cn1ccnc1COc1ccc(COC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 815510581 CPSWWLRVZDHJEJ-UHFFFAOYSA-N 435.358 4.283 5 20 IIBD O=C(CC(c1ccccc1)c1ccccc1)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 825020356 WWXCCIQBUCEWHG-UHFFFAOYSA-N 430.460 4.249 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 828786835 OVCGFOOTHHGAIE-UHFFFAOYSA-N 446.868 4.406 5 20 IIBD C[C@H](OC(=O)/C=C\c1nc2ccccc2s1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 849190264 ACFVHSIRKUMNEE-IQQGHNRFSA-N 431.857 4.442 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)CCc2cccc(Br)c2)cccc1[N+](=O)[O-] 855333009 DTGBMKQQXFKSEW-CYBMUJFWSA-N 435.274 4.169 5 20 IIBD Cc1nc(C)c(-c2nnc(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)o2)s1 864096422 FIUOGBXBAKICDW-UHFFFAOYSA-N 425.879 4.102 5 20 IIBD COc1ccc(-c2nc(Cc3noc(-c4cc(-c5ccc([N+](=O)[O-])cc5)[nH]n4)n3)co2)cc1 904330153 BRQGBSXWLLNEQX-UHFFFAOYSA-N 444.407 4.289 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)COc1ccc(F)cc1Br 918534091 ITPYFGZSTWUSLK-UHFFFAOYSA-N 428.210 4.017 5 20 IIBD C[C@H](OC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C(=O)N(c1nccs1)C1CCCCC1 919526878 YHWWWCOCSADLFD-ZDUSSCGKSA-N 442.497 4.444 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 921153593 IYRFNRSPYSRKIB-AWEZNQCLSA-N 440.456 4.387 5 20 IIBD Cc1sc(NC(=O)c2ccccc2N2CCN(C)CC2)nc1-c1cccc([N+](=O)[O-])c1 1116052949 HSDIUHCLQDTJTB-UHFFFAOYSA-N 437.525 4.031 5 20 IIBD Cc1ccnc(C(=O)NC2(c3ccc(NC(=O)Cc4cccc([N+](=O)[O-])c4)cc3)CCC2)c1 1785791486 AEDJZKBFCFAFOD-UHFFFAOYSA-N 444.491 4.289 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@H]3CCc4ccoc4C3)CCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 1790184606 XYBYYJKIDUOPGJ-INIZCTEOSA-N 448.479 4.069 5 20 IIBD Cc1ccoc1C(=O)NC1(c2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc2)CCC1 1790755003 QKSJZTROVGXUNS-UHFFFAOYSA-N 435.436 4.263 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC([C@H]2CCCCN2C(=O)/C=C/C2CC2)CC1 1824216762 QMUTZBXCUHJUHR-JTFUDZLHSA-N 437.540 4.194 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)C23CC(C2)C3)CC1 1830728370 BKDYYFFKLYLNGT-XUGLNINTSA-N 443.519 4.076 5 20 IIBD CC(C)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cc(F)ccc2[N+](=O)[O-])CC1 1831384665 GSONOZZIWPKYIH-NRFANRHFSA-N 447.551 4.332 5 20 IIBD CC1(C)CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)C1 1831931290 UXFPNFQGPFTQPM-NRFANRHFSA-N 445.535 4.403 5 20 IIBD CC[C@H](C)CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCCc1cc(C)c(F)cc1[N+](=O)[O-] 1847696297 MSTGUFZPXPGLJD-YSSFQJQWSA-N 433.524 4.003 5 20 IIBD CCOC(=O)c1cc(C(=O)O[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)cc([N+](=O)[O-])c1 10857194 IOESXUGFUSMBFZ-TWLOVUBOSA-N 429.469 4.102 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 11482335 ITOGXQKHAGIVDU-UHFFFAOYSA-N 427.240 4.025 5 20 IIBD COc1cc(CCNC(=O)c2sc(-c3ccc(F)cc3)nc2C)c([N+](=O)[O-])cc1OC 16143910 GRRWWDXXDADXEC-UHFFFAOYSA-N 445.472 4.156 5 20 IIBD C[C@@H](OC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Br)c1 16925944 NTJMLUVBJYJCCY-LLVKDONJSA-N 448.273 4.116 5 20 IIBD C[C@@H](OC(=O)COCc1nc2ccccc2s1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 18021088 LFPWUYUTLNTSKJ-GFCCVEGCSA-N 440.437 4.076 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCc1ccc(Cl)cc1Cl 19429780 BMRFQYLFUKNMJP-UHFFFAOYSA-N 425.224 4.333 5 20 IIBD C[C@@H](Sc1nc(-c2ccccc2Br)n[nH]1)C(=O)Nc1ccccc1[N+](=O)[O-] 21746072 YWUUJZUKHLMWKP-SNVBAGLBSA-N 448.302 4.262 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC[C@H](c2nc3ccccc3o2)C1 24695671 OYSPLHYUBZKJEB-SFHVURJKSA-N 434.496 4.359 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 27800254 UREWXXHEPFYOPD-GHMZBOCLSA-N 441.267 4.333 5 20 IIBD CN(C(=O)COC(=O)CSc1cc(Cl)ccc1Cl)c1ccc([N+](=O)[O-])cc1 29272976 NWQVWFKLFQMKDR-UHFFFAOYSA-N 429.281 4.200 5 20 IIBD COC(=O)C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(Cl)cc1 37137049 SDKVUAQWMNYLKH-FQEVSTJZSA-N 448.906 4.229 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC(CN2CCCCCC2)CC1 65308897 TUTHYKOHPQWDPA-UHFFFAOYSA-N 428.558 4.447 5 20 IIBD O=[N+]([O-])c1ccc(I)c(Oc2ccc([N+](=O)[O-])c3cnccc23)c1 302557789 SLJBVPLKNXETGI-UHFFFAOYSA-N 437.149 4.448 5 20 IIBD CC1CCN(c2cccc(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)c2)CC1 303808391 NAGMRGDPVBINOP-GOSISDBHSA-N 442.541 4.136 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCc3nc(C(F)(F)F)cs3)cc2[N+](=O)[O-])C1 303921060 VTZXPHUMWDSKPA-RYUDHWBXSA-N 442.463 4.482 5 20 IIBD CCCN1C(=O)CCc2cc(NC(=O)c3sc(Br)cc3[N+](=O)[O-])ccc21 409574031 CRAHTRMSSYVWCR-UHFFFAOYSA-N 438.303 4.360 5 20 IIBD CC(C)S(=O)(=O)Cc1ccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 426079829 QAWGGSABICSETE-UHFFFAOYSA-N 431.514 4.115 5 20 IIBD CC(=O)N(c1nc(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)cs1)c1ccccc1F 428327415 TUDJOBROKIPGJK-UHFFFAOYSA-N 438.444 4.182 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](OCCCc3ccccc3)C2)cc1SC 430455551 MKACZPPBVBILHV-QGZVFWFLSA-N 430.526 4.189 5 20 IIBD O=C(NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 430471457 OHXJFAQHNZOHPT-QUCCMNQESA-N 440.393 4.256 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]2c2cccc3ccccc23)cc1OC 431156503 LHLANKGMPVCQKI-AZUAARDMSA-N 436.464 4.068 5 20 IIBD O=C(c1ccc(Cl)cc1Cl)N1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 434838317 YTAJUKAUKUVXKW-UHFFFAOYSA-N 435.267 4.001 5 20 IIBD C[C@@H](NC(=O)C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 436913265 UVQAHIWKNAQUFI-OPAMFIHVSA-N 433.464 4.039 5 20 IIBD COC(=O)c1cc(C(=O)NCc2ccnc(Oc3cccc(C)c3C)c2)cc([N+](=O)[O-])c1 437150923 PBMGJTRMBRWBSE-UHFFFAOYSA-N 435.436 4.116 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCN(c2ccccc2Cl)C1=O 437226398 HJXAFSNFJFUNLT-INIZCTEOSA-N 441.793 4.145 5 20 IIBD CC(C)[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1nc(-c2cccnc2)no1 437233429 DTNJJDAKGWDXGE-OAHLLOKOSA-N 435.362 4.186 5 20 IIBD Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 437922356 YDSQBJLXJSTXPP-UHFFFAOYSA-N 425.470 4.373 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 438540940 OGOMHYINADKCRH-UHFFFAOYSA-N 429.885 4.421 5 20 IIBD CCOc1ccc(N(CC)S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1 438799771 ZOSCOJKMNAOPCZ-UHFFFAOYSA-N 443.319 4.280 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)c2ncccc12 443424139 UAZIVEPJMCSEIA-UHFFFAOYSA-N 445.350 4.024 5 20 IIBD CCO[C@@H]1C[C@H](N(C)C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C12CCC2 444240456 RFNPWWRPSODUAP-VQTJNVASSA-N 426.463 4.379 5 20 IIBD O=C(Nc1cccc(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1)c1ccc(F)cc1 445503349 NJBSZYVJBRQTKA-UHFFFAOYSA-N 448.454 4.254 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3c[nH]nc3-c3nccs3)cc2[N+](=O)[O-])C1 446605736 RVUHNRFPOJYNAW-BETUJISGSA-N 426.502 4.176 5 20 IIBD COc1ccc(C2=NN(C(=O)CSc3ccc([N+](=O)[O-])cn3)[C@H](c3ccco3)C2)cc1 448113667 ZUPFOGVLSCUNSK-SFHVURJKSA-N 438.465 4.061 5 20 IIBD C[C@@H](c1cc(F)ccc1F)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 461527807 XMBDKWHGXHXEPZ-LSDHHAIUSA-N 443.454 4.365 5 20 IIBD CC1(C)C[C@H]2C[C@@](C)(CN2c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCOC2)C1 461594402 WRMVAIZLXKXTBP-BVZALQNUSA-N 425.533 4.295 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 462762904 CJFTYYQKBIKRHA-OXJNMPFZSA-N 434.439 4.365 5 20 IIBD COc1cc(C(=O)N2CC[C@H](CSc3ccccc3)C2)c([N+](=O)[O-])cc1OC(F)F 464326840 CIYXATDFNYHDGH-ZDUSSCGKSA-N 438.452 4.459 5 20 IIBD COc1ccc(N(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1Cl 466277597 ABNUMKBKBDTYGO-UHFFFAOYSA-N 425.677 4.389 5 20 IIBD Cc1ccc(CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c(OC[C@H]2CCCO2)c1 466632929 KMCYZCLNNSHHDP-QFBILLFUSA-N 430.526 4.258 5 20 IIBD CCO[C@@H](C)c1nc(CN2CCN(C/C(C)=C/c3cccc([N+](=O)[O-])c3)CC2)cs1 470174712 MTVBZMKMYVVGGK-WQJNHMDYSA-N 430.574 4.370 5 20 IIBD CCC1(c2ccc(Cl)cc2)CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 470694096 PBFBEEWZZOJWBO-UHFFFAOYSA-N 439.903 4.413 5 20 IIBD Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)c2)cc1 470705179 WWACIARWVRCCSE-UHFFFAOYSA-N 443.456 4.120 5 20 IIBD CCOC(=O)[C@@H](NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@@H]1CCCOC1 475138379 MITQTDKFEPHDMW-IERDGZPVSA-N 448.903 4.488 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])N1CCC(COc2ccccc2C(F)(F)F)CC1 475846444 PTDAYZWUDRJVJL-UHFFFAOYSA-N 438.402 4.310 5 20 IIBD Cn1cnc([N+](=O)[O-])c1CSc1nc2scc(C3CC3)c2c(=O)n1-c1ccccc1 476474862 AJBYHISFICHXIH-UHFFFAOYSA-N 439.522 4.259 5 20 IIBD COC(=O)c1csc(-c2cccc(CNc3ncc(Br)cc3[N+](=O)[O-])c2)n1 477798236 KPCOBZGFKJWUCU-UHFFFAOYSA-N 449.286 4.275 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCC(CO)(c2ccccc2)CC1 479977924 JAYDAAZLEXIOMG-UHFFFAOYSA-N 445.519 4.373 5 20 IIBD Cc1cc(I)ccc1NC(=O)NCc1cccc([N+](=O)[O-])c1C 480052582 GBGBWISOLDLDNA-UHFFFAOYSA-N 425.226 4.138 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)c1[N+](=O)[O-] 480234195 WJTSVYYLBUGFJG-GDLZYMKVSA-N 444.534 4.320 5 20 IIBD CCN([C@@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] 481436213 BHZBYGURUUDREK-QFIPXVFZSA-N 425.510 4.407 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)c1C 481582086 PXDDWAUZOWFSTQ-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD CC[C@@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)c(S(=O)(=O)NC)c1 482001113 LTDXJCJCFLCMBI-MRXNPFEDSA-N 446.356 4.093 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(CN3CCSCC3)c2C)cc1SC 483552970 NNDVQTIBJZWWJJ-UHFFFAOYSA-N 447.582 4.435 5 20 IIBD CSc1cccc(C(=O)N(CC(=O)N2CCCCC2)c2cccc(C)c2)c1[N+](=O)[O-] 486252310 JZPYFEHFSCHSGQ-UHFFFAOYSA-N 427.526 4.284 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCc3c(Br)cccc3C2)c(C)c([N+](=O)[O-])c1 486874735 ONIQCGGJSVIILC-UHFFFAOYSA-N 448.273 4.043 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc(OCCN(C)C)cc3)cc2[N+](=O)[O-])C1 488142612 MYZWNXHENOMTKL-ROUUACIJSA-N 440.544 4.270 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 488780054 HCMJZMZELWVPSI-QHCPKHFHSA-N 449.511 4.125 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 489182006 CDTQQSLDKHXKFC-AWEZNQCLSA-N 443.978 4.076 5 20 IIBD Cc1cc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccco1 490117389 KHSSAGLDKBWISF-UHFFFAOYSA-N 431.408 4.187 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)cc1[N+](=O)[O-] 491602353 TYVYXFVTAOPSRT-CQSZACIVSA-N 440.905 4.081 5 20 IIBD O=C(Nc1cccc(Cl)c1N1CCOCC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 496316848 XVCHBGMYWXMTMR-UHFFFAOYSA-N 444.900 4.461 5 20 IIBD CC[C@H](Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccccc1OC(F)F 498816623 GMISCDGLOMGSOH-INIZCTEOSA-N 435.427 4.232 5 20 IIBD CC(C)(COc1ccc(C(F)(F)F)cn1)NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 502214668 AZPLBVXNBVEASO-UHFFFAOYSA-N 437.378 4.006 5 20 IIBD O=C(N[C@@H](COc1ccccc1)c1ccccc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 502356833 VBRBALQQRQKKNI-QHCPKHFHSA-N 428.448 4.331 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCC(N2CCc3ccccc32)CC1 505139263 MBFASMGOHMGPKJ-UHFFFAOYSA-N 441.506 4.488 5 20 IIBD Cc1c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cccc1C(=O)N1CCc2sccc2C1 505729089 IVYBLHYREVMUEE-UHFFFAOYSA-N 437.477 4.121 5 20 IIBD O=C(CCC1CCCC1)N1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 506583203 GHIGOGIKJULIFY-UHFFFAOYSA-N 428.558 4.333 5 20 IIBD COc1ccc(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1Br 506989904 MIQCVHLCXXPYRH-UHFFFAOYSA-N 448.298 4.419 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCC(C)(C)N2CCCCC2)cc1[N+](=O)[O-])c1ccccn1 507221629 MIWCXVBBRWHMNM-QGZVFWFLSA-N 425.533 4.157 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 507311764 HGSFIFFDSZVCSW-KURKYZTESA-N 443.569 4.001 5 20 IIBD O=C(NCC1(c2cccc(Cl)c2)CCCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 509665211 JRZJSXAACPPJLZ-UHFFFAOYSA-N 425.876 4.071 5 20 IIBD Cc1sc(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)nc1-c1ccc(Cl)cc1 511958964 WTJXIAACUJCZOA-UHFFFAOYSA-N 437.930 4.300 5 20 IIBD CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 512283494 ZJTXJPJIMSKBHQ-UHFFFAOYSA-N 448.317 4.465 5 20 IIBD Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 513353925 NPCPFRPFPRYZLN-UHFFFAOYSA-N 443.301 4.166 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O 513527845 KONSCFPDMTZQRF-AUSJPIAWSA-N 445.516 4.083 5 20 IIBD C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 518372352 QFDMUXFZAINOLL-CYBMUJFWSA-N 448.882 4.453 5 20 IIBD CN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@H]1CCN(c2ccccc2Cl)C1=O 518409219 MGZSZMOXIQAMTJ-SFHVURJKSA-N 429.904 4.423 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2cn(Cc3ccccc3)nn2)no1 520652465 CFCBRYUPASIZSG-GFCCVEGCSA-N 426.820 4.078 5 20 IIBD O=c1oc2cc([N+](=O)[O-])ccc2n1CCCc1nc(-c2c(Cl)cccc2Cl)no1 521889598 CCQDOQLWOICNLQ-UHFFFAOYSA-N 435.223 4.492 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](CC1CCCCC1)c1ccccc1 523249701 YDADFXCYLRSHLU-LJQANCHMSA-N 425.485 4.370 5 20 IIBD O=C(Nc1cccc(C[S@@](=O)C2CCOCC2)c1)c1cc2cc([N+](=O)[O-])ccc2s1 523754655 PKVZUCOVOHENDD-SSEXGKCCSA-N 444.534 4.490 5 20 IIBD CC[C@@H](C)[C@@H](NC(=O)c1cc(C)ccc1[N+](=O)[O-])C(=O)Nc1cccc(N2CCCC2)c1 525650600 DSVSOSCOIFHFNH-VGOFRKELSA-N 438.528 4.287 5 20 IIBD CC(C)(C)c1ccc(Oc2ccc(CNCC3(C(N)=O)CCOCC3)cc2[N+](=O)[O-])cc1 531495723 QJJYQZDZCMEZHC-UHFFFAOYSA-N 441.528 4.056 5 20 IIBD CN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 532620286 DHWBPGTYFNGINM-MRXNPFEDSA-N 425.304 4.055 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCC(n2ccnn2)CC1 533081309 WRKSGSROBLYBTJ-UHFFFAOYSA-N 427.848 4.109 5 20 IIBD O=C(Nc1cc(-c2ccccc2)on1)c1cc(I)cc([N+](=O)[O-])c1 535026916 HPIVUOPZVCHDNY-UHFFFAOYSA-N 435.177 4.107 5 20 IIBD C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 536359778 RAXJKHSBBGANEM-JTQLQIEISA-N 431.246 4.081 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 537673411 IXTMWASTPVVSQD-MRXNPFEDSA-N 440.418 4.051 5 20 IIBD CO[C@H](C)c1nc(CN2CCCN(c3cc(C)nc4c([N+](=O)[O-])cccc34)CC2)cs1 538449735 LRSJLQPNDYITAL-MRXNPFEDSA-N 441.557 4.328 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 542016215 HTAFCEPIOGGOTH-AAEUAGOBSA-N 445.829 4.128 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC=C(c2ccc3c(c2)OCCO3)CC1 542201344 KSRPSWPBWOORIR-UHFFFAOYSA-N 446.912 4.427 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 543026847 MXAYEBAIEORHOH-CYBMUJFWSA-N 446.813 4.096 5 20 IIBD COc1ccc([C@@H](Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c2ccccc2OC)cc1 543046881 QMTYQDKIJALZRY-LJQANCHMSA-N 448.522 4.279 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN(Cc2ccccc2C(F)(F)F)C2CC2)cc1 543139257 COUDAVOCCBMKLW-UHFFFAOYSA-N 428.432 4.052 5 20 IIBD Cc1ccc(C(=O)c2c(NC(=O)Cc3ccc([N+](=O)[O-])cc3)sc3c2CCOC3)cc1 546108331 ZLQSAXFDACPTLK-UHFFFAOYSA-N 436.489 4.450 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1noc(Cc2csc(-c3cccc(F)c3)n2)n1 546378048 SLKKBUCONJUYRU-UHFFFAOYSA-N 425.445 4.486 5 20 IIBD COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1OC[C@H](O)COc1cccc2ccccc12 550175471 WDNGETIRMKHKNC-OAHLLOKOSA-N 431.828 4.007 5 20 IIBD O=C(N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1ccc([N+](=O)[O-])cc1Cl 553691139 ALEUIWNAVHGLJN-GOSISDBHSA-N 428.794 4.399 5 20 IIBD C[C@H](NC1(Cc2ccc(F)cc2)CCOCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 555571955 DLZGTITVNKHRON-HNNXBMFYSA-N 426.448 4.226 5 20 IIBD COc1ccc(CC(=O)NCC2(c3ccccc3Br)CCC2)cc1[N+](=O)[O-] 562869405 MUXLENCHGDBMGC-UHFFFAOYSA-N 433.302 4.147 5 20 IIBD O=C(Nc1ccc(F)cc1OC1CCOCC1)c1cc([N+](=O)[O-])ccc1OC(F)F 562895434 MLRIFFDEYUYYMB-UHFFFAOYSA-N 426.347 4.145 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@H](n3cc(Cl)cn3)C2)c([N+](=O)[O-])c1 565509674 LGSQCTDHOQLJJL-GHTZIAJQSA-N 439.903 4.380 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CNCc2csc(-c3ccco3)n2)c1 573231362 GOYSBMGRJQDNCB-UHFFFAOYSA-N 441.250 4.206 5 20 IIBD Cc1sc2nc(CN3CCCC3)nc(N3CCOc4ccc([N+](=O)[O-])cc4C3)c2c1C 579174379 XOPWQDKWTWCPPR-UHFFFAOYSA-N 439.541 4.211 5 20 IIBD COCCN1[C@H]2CC[C@H]1CC(N(C)C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)C2 590524074 LPXAQDIZWBBNSU-IRXDYDNUSA-N 447.601 4.343 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCc3ccnc(OC4CCCC4)c3)cc2)c(C)c1[N+](=O)[O-] 603613177 UVYDVZDTEIDODF-UHFFFAOYSA-N 449.511 4.103 5 20 IIBD O=[N+]([O-])c1cccc(OCCSc2nc(O)c3cnn(-c4cccc(Cl)c4)c3n2)c1 603724571 ARLKEQSDIIYZRV-UHFFFAOYSA-N 443.872 4.254 5 20 IIBD COc1cc(CCNC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)c([N+](=O)[O-])cc1OC 603801943 GGOFWLFYMYPNPT-AWEZNQCLSA-N 427.457 4.303 5 20 IIBD CCOc1cc(CN(C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)ccc1OC(F)F 603873900 PZKWZXVTXFEUAR-UHFFFAOYSA-N 434.399 4.277 5 20 IIBD C[C@H](Nc1ccc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1Cl)c1ccccc1 604533239 AJSXWDVPHVDLOY-AWEZNQCLSA-N 426.860 4.222 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3ccccc3S(=O)(=O)C(C)C)cc2[N+](=O)[O-])CC1 608871862 HKSVCMKQILJSEO-UHFFFAOYSA-N 445.541 4.266 5 20 IIBD O=C(NCc1ccncc1)Nc1cccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1 609028405 ZINYRMPLHUZPQH-UHFFFAOYSA-N 430.424 4.045 5 20 IIBD CCOc1ccc(OC)cc1NC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 609209383 QYNYFZLVKQCFHM-UHFFFAOYSA-N 442.394 4.255 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)cc([N+](=O)[O-])c1 609695622 OCNLESUVSDEEPO-PMERELPUSA-N 432.498 4.071 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCCN(CCCc2ccccc2)CC1 610063793 PNYFEPXYZJIYIE-UHFFFAOYSA-N 446.345 4.138 5 20 IIBD CC(C)OC1CCC(NC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 611061048 VOMWJECNJQSLDC-UHFFFAOYSA-N 432.443 4.061 5 20 IIBD C[C@@H]1CN(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C[C@@H](C)O1 611198968 YDEBRRDEYKJDIT-HZPDHXFCSA-N 435.590 4.247 5 20 IIBD COC(=O)COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cc1 611200961 UHEPJILECFLKBT-UHFFFAOYSA-N 430.482 4.434 5 20 IIBD CCCC(=O)NC[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 611202774 OQTRGMAIWFXZHE-INIZCTEOSA-N 433.574 4.398 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)s1 611280683 QALKPYSEJTVXJL-RNFRBKRXSA-N 440.387 4.381 5 20 IIBD COc1cc([C@@H]2NC(=O)c3cccc(OC)c3O2)c([N+](=O)[O-])cc1OCc1ccccc1 619553136 VFAWKCPAPMPBQQ-HSZRJFAPSA-N 436.420 4.012 5 20 IIBD O=C(COc1ccc(Cl)c(C(F)(F)F)c1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 619845382 ZYZZAMMBVIQYFC-UHFFFAOYSA-N 446.765 4.446 5 20 IIBD CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)c1 727712444 XXHWERXPXFIIEW-UHFFFAOYSA-N 445.884 4.326 5 20 IIBD CC(C)(C)OC(=O)NCc1cccc(OC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1 730200242 LQNXENZJSUZPOT-UHFFFAOYSA-N 438.440 4.024 5 20 IIBD C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCCC[C@H]2c2cc3ccccc3[nH]2)C1=O 731027844 QUPITNLKMLTICR-XUZZJYLKSA-N 447.495 4.028 5 20 IIBD O=C(COC(=O)C[C@H]1CCc2ccccc2C1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 732585125 DCURAMONIDKCSH-ZDUSSCGKSA-N 436.386 4.291 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)cc1[N+](=O)[O-] 733244713 PNEWLWBPOYELIV-UHFFFAOYSA-N 429.776 4.299 5 20 IIBD CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)Oc1cc([N+](=O)[O-])c(Cl)cc1C 735790780 DDRXAOIRYUZCDY-INIZCTEOSA-N 436.917 4.322 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)OC1([C@@H]2CCOC2)CC1 735910616 SRQWLUXUVHGURQ-LJQANCHMSA-N 433.464 4.102 5 20 IIBD O=[N+]([O-])c1cccc(/C(O)=C(/C(=S)NC(C2CC2)C2CC2)[n+]2cc(O)cc(Cl)c2)c1 738010608 OXHJCECEVGULNC-UHFFFAOYSA-O 446.936 4.231 5 20 IIBD O=C(N[C@H](C(=O)OCc1c(F)cccc1[N+](=O)[O-])c1ccccc1)OCc1ccccc1 738740215 FDRFRBWHBOEEBX-NRFANRHFSA-N 438.411 4.445 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)c1cnc2ccsc2c1)c1cccc([N+](=O)[O-])c1 742050954 MTRMZKFYWQAYFQ-KRWDZBQOSA-N 439.493 4.446 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c(C)c1 744554518 QQGCTOMSELEQRD-KRWDZBQOSA-N 425.485 4.386 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 744554541 RHBOEQSVWHNLAL-MRXNPFEDSA-N 441.484 4.086 5 20 IIBD COc1cc(C2(C(=O)O[C@@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)CCC2)ccc1C 744906707 HDUOSPMBIOYICB-AWEZNQCLSA-N 430.432 4.043 5 20 IIBD CC(C)C(=O)Nc1ccc(C(=O)COC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 745565470 OGAMPPGAYCTFSI-UHFFFAOYSA-N 438.358 4.248 5 20 IIBD Cc1ccccc1-n1c(SCc2cc(Cl)ccc2[N+](=O)[O-])nnc1N1CCOCC1 746389767 VRDHDWCHSSXMGI-UHFFFAOYSA-N 445.932 4.266 5 20 IIBD CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 747961781 KPHWMIYFLWPWMB-CYBMUJFWSA-N 439.449 4.105 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cc(-c2cccc(Cl)c2)no1 748924077 HOSHBRKJFLIBFM-LLVKDONJSA-N 445.815 4.096 5 20 IIBD Cn1c(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1-c1ccc(F)cc1 749331462 QFSYDUDEBZIZBK-UHFFFAOYSA-N 431.807 4.188 5 20 IIBD O=C(COc1ccccc1-c1ccccc1)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 750434586 WJOUHPKUXRWDTR-UHFFFAOYSA-N 447.491 4.495 5 20 IIBD O=C(Cn1c(Cc2ccccc2)nc2ccccc21)OCc1nc2cc([N+](=O)[O-])ccc2o1 751631455 IISSJQLXFUQADQ-UHFFFAOYSA-N 442.431 4.420 5 20 IIBD COC(=O)c1cc(NC(=O)C(=O)Nc2ccc(SC(C)(C)C)cc2)c(C)c([N+](=O)[O-])c1 753851542 CELUNPQORWRAPM-UHFFFAOYSA-N 445.497 4.158 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 754221499 YPIMGCOBHIRFJC-UHFFFAOYSA-N 442.472 4.009 5 20 IIBD O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc(-c2ccccn2)ccc1Cl 754996915 HGARICHASPJQQI-HXUWFJFHSA-N 437.839 4.273 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F 755063682 NSAULRVMSBABID-NWDGAFQWSA-N 438.839 4.378 5 20 IIBD COc1cccc(COC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1OC(F)F 755324298 QQSJNBRZLPVSBQ-UHFFFAOYSA-N 446.200 4.253 5 20 IIBD O=C(OCc1nnc(-c2ccc(Br)s2)o1)c1c[nH]c2cc([N+](=O)[O-])ccc12 756769765 YCWZYZGSHCAGOF-UHFFFAOYSA-N 449.242 4.307 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cnc(Br)c(Br)c1 757827338 YCLYCIRKBATKMR-ZZXKWVIFSA-N 427.052 4.167 5 20 IIBD CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)O[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 759948288 MUDAHJUJEYRRMB-IRXDYDNUSA-N 432.452 4.256 5 20 IIBD Cc1nn(C)c(C)c1[C@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(F)(F)F 760756275 BPWNHHGKWSKSMA-KRWDZBQOSA-N 426.395 4.006 5 20 IIBD CCCN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 760829877 IIQYZNHUPONAMU-IBGZPJMESA-N 430.505 4.471 5 20 IIBD CN(C)c1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)c2c[nH]c3ccccc23)cc1 761456420 YQYWRERTRABLOC-LJQANCHMSA-N 431.496 4.043 5 20 IIBD Cc1cccc2sc(C(=O)NS(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)c(Cl)c12 762741029 WGBNMDRZRSNEDG-UHFFFAOYSA-N 438.914 4.074 5 20 IIBD COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 763436506 ULEHHBBYUSDFMA-UHFFFAOYSA-N 447.900 4.158 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)OC[C@@H]1COC(=O)O1 763909892 SJEJDFYRNBDZSO-IHWMJMDHSA-N 440.433 4.214 5 20 IIBD O=C(COC(=O)c1c[nH]c2ccc(F)cc12)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 764179974 CKPMOOVTDSVGLN-UHFFFAOYSA-N 425.294 4.030 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(NCc2cccc(C(=O)NCc3ccco3)c2)cc1Cl 765470754 NQWVEZJKMBPJNR-UHFFFAOYSA-N 443.843 4.170 5 20 IIBD O=C(NC[C@H](O)c1ccncc1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 768320392 GSAYLPWINUKBAJ-KRWDZBQOSA-N 429.885 4.258 5 20 IIBD CN([C@@H]1CCSc2ccc(Br)cc21)S(=O)(=O)c1csc([N+](=O)[O-])c1 768832120 CSAPWIXFRQRGRQ-GFCCVEGCSA-N 449.373 4.276 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[C@H](c2c(F)cccc2F)C1 769647764 NTJQJUUFXVHKLV-VIFPVBQESA-N 429.192 4.404 5 20 IIBD COC1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)cc2C(F)(F)F)CC1 772807835 UZLOAFUIAMUGJN-UHFFFAOYSA-N 439.390 4.187 5 20 IIBD O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(SCCCO)cc1 773430901 QBELTPUAUULVJI-UHFFFAOYSA-N 426.288 4.189 5 20 IIBD Cc1ccccc1-c1nc(C)c(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)s1 775118346 NCNTWXZUQWMQAR-UHFFFAOYSA-N 429.429 4.270 5 20 IIBD O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 776005824 GCVPOXQDLXRXFG-KRWDZBQOSA-N 444.360 4.008 5 20 IIBD CC1=C(C(=O)Nc2ccccc2C(C)C)[C@@H](c2ccc([N+](=O)[O-])cc2F)NC(=S)N1 777943357 GSPXNCBTDAUWEW-LJQANCHMSA-N 428.489 4.289 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nn1-c1ccc(Cl)cc1 778146906 SWRYCBHBGQELFP-UHFFFAOYSA-N 449.250 4.191 5 20 IIBD CC(C)[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)Nc1ccccc1F 778887898 OVIWVECDJBLZNV-MRXNPFEDSA-N 426.347 4.155 5 20 IIBD C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 780961024 OQCRHQAWGWPXBG-HOTGVXAUSA-N 435.524 4.057 5 20 IIBD O=C1CCCc2cc(OC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)ccc2N1 780975651 JWZUIBNIHMHHKQ-UHFFFAOYSA-N 434.398 4.454 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 787602843 BQLSESBTNKDPEM-UHFFFAOYSA-N 438.362 4.052 5 20 IIBD C[C@H](OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)c1ccccc1Br 789079365 PWXHKCWIYOESME-NSHDSACASA-N 431.242 4.196 5 20 IIBD COc1ccc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(OCC(C)C)c1 789221416 DXHTXLYGNHGGJX-UHFFFAOYSA-N 436.848 4.087 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[C@H]1CCC(=O)c2ccccc21 790135848 RGAFNXZOPNYCHI-IBGZPJMESA-N 434.452 4.142 5 20 IIBD C[C@H](NC(=O)COC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1ccccc1Cl 790746904 XMGKBNGORCNZHL-JTQLQIEISA-N 429.231 4.004 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCC(=O)N(C)[C@H](C)c1ccccc1 792473471 GAIQWXLETIXONU-CYBMUJFWSA-N 435.274 4.042 5 20 IIBD CC(C)C(=O)Nc1cccc(NC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])c1 795146550 ZDOFEHNMYKZABQ-UHFFFAOYSA-N 449.305 4.027 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@@H](C)c3ccc4c(c3)OCO4)CC2)ccc1[N+](=O)[O-] 796909665 FOEFCBVUBRIXDG-HNNXBMFYSA-N 442.468 4.038 5 20 IIBD CCOC(=O)Nc1nc2ccc(NC(=O)COc3ccc([N+](=O)[O-])c(C)c3)cc2s1 797441101 PMXMTMNCKAAQMB-UHFFFAOYSA-N 430.442 4.099 5 20 IIBD Cc1ccc(N2CCOCC2)cc1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 797596506 IYOQBCUPXQYDHO-UHFFFAOYSA-N 434.290 4.063 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 800631091 FGHOHIXIQMZINT-UHFFFAOYSA-N 442.447 4.138 5 20 IIBD C[C@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)c1ccsc1 801066501 WMFLKGZSTGOAKI-LBPRGKRZSA-N 428.436 4.268 5 20 IIBD CCC[C@]1(CO)CCN([C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C1 808797211 ZGJYGFDXXCHCLQ-IRLDBZIGSA-N 431.920 4.413 5 20 IIBD O=C(COC(=O)c1cc(C(F)(F)F)cc(Cl)n1)Nc1ccc(Cl)c([N+](=O)[O-])c1 811231306 DFBATDKDNKKPGF-UHFFFAOYSA-N 438.145 4.111 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1OCc1cscn1 811855993 CZBQRFPVZADPQE-UHFFFAOYSA-N 438.421 4.037 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCc2c(ccc(Cl)c2Cl)C1 812159016 AWLXKBSTJCUTRQ-UHFFFAOYSA-N 448.310 4.369 5 20 IIBD CN1CCC(N(C[C@H]2C[C@H]3C=C[C@H]2C3)C(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 813274123 UIGHYVWDTAWITP-HRCADAONSA-N 448.361 4.106 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)C1 814432782 TWYCIHLGFHCZSI-RBUKOAKNSA-N 431.533 4.023 5 20 IIBD CN(C)c1cc(F)c(C(=O)OCc2nnc(-c3cc4c(s3)CCCC4)o2)cc1[N+](=O)[O-] 814484194 DSJCHUVYHKEHRQ-UHFFFAOYSA-N 446.460 4.147 5 20 IIBD CC(C)(NC(=O)Nc1cc2c(cc1Br)OCCO2)c1ccccc1[N+](=O)[O-] 814502236 ZAMMJOIPLBXEAK-UHFFFAOYSA-N 436.262 4.185 5 20 IIBD O=C(NC[C@@H]1CCCCC(F)(F)C1)c1cc([N+](=O)[O-])ccc1I 816789317 LSTXYXRGFLHSJB-SNVBAGLBSA-N 438.212 4.145 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(=O)N[C@H](C)c1ccc(F)cc1 823274385 FTLGXMXVSRWPEL-CVEARBPZSA-N 443.475 4.147 5 20 IIBD C[C@@H](OC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C(=O)N(c1nccs1)C1CCCCC1 824482574 APYJHFZEGKKDEN-CYBMUJFWSA-N 442.497 4.444 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 901384947 CVQTVXLYWXTLSR-XMMPIXPASA-N 443.503 4.219 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H]1c1nc(-c2ccc(Br)o2)no1 904625613 RMHWDCHFZXZCHB-MRVPVSSYSA-N 439.247 4.039 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] 914744355 TVQPJFZLGYWDLW-UWVGGRQHSA-N 443.300 4.451 5 20 IIBD COc1cc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1NC(=O)OC(C)(C)C 916429445 VUXVYVDGTKPDEK-UHFFFAOYSA-N 432.389 4.111 5 20 IIBD C[C@H](Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 917085924 HODZWPULGRAWRN-HNNXBMFYSA-N 448.501 4.241 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1 917943868 IABPMYZYIMJGGB-IHWYPQMZSA-N 437.296 4.394 5 20 IIBD O=C(NCc1nnc(-c2cc([N+](=O)[O-])ccc2SC2CCCC2)o1)c1cccnc1 1117271366 NFGKKGDCJGTCMO-UHFFFAOYSA-N 425.470 4.005 5 20 IIBD Cc1cccc(CN2CCCC[C@@H]2C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 1318959667 VXYIUKHKWIHNPR-HXUWFJFHSA-N 436.468 4.051 5 20 IIBD Cc1c(I)cccc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 1319955051 IHIHTGDHALIHAC-UHFFFAOYSA-N 448.163 4.362 5 20 IIBD Cc1nc2ccccc2n1Cc1nnc(-c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])o1 1322191694 UWSVHWAUOVDDAQ-UHFFFAOYSA-N 433.346 4.292 5 20 IIBD COc1cc(-c2nnc(CCn3nc(C)c([N+](=O)[O-])c3C)o2)ccc1OCCC(C)C 1328307527 PULNQXBMRYAUNF-UHFFFAOYSA-N 429.477 4.134 5 20 IIBD COc1ccc([C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)c2ccc(OC)cc2OC)cc1 1329534175 XKPZNSSZAAWGSC-XMMPIXPASA-N 436.464 4.069 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)NC1(c2ccc(NC(=O)c3cncc(F)c3)cc2)CCC1 1787468870 BCTUXZFIFOOMQZ-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD C[C@@]1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CSc2ccccc2[N+](=O)[O-])C3)CC=CCC1 1803281657 QFGSRTDXYJUDEH-OIMFZILRSA-N 443.569 4.072 5 20 IIBD Cc1ccc(F)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccccc2[N+](=O)[O-])c1 1804345416 IUALKGFJVCVWDV-AGDBNRHRSA-N 437.471 4.008 5 20 IIBD CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)CC2)CCC1 1823710812 RLQQFEHKWGJKAZ-NRFANRHFSA-N 445.535 4.086 5 20 IIBD CC(C)(C)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cc([N+](=O)[O-])ccc2F)CC1 1826332413 HMDORPUPWZNNEH-NRFANRHFSA-N 447.551 4.332 5 20 IIBD Cc1cc(C)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)c1 1830011142 YJODLVUMHIPUOU-OAQYLSRUSA-N 438.528 4.087 5 20 IIBD Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C3CC3)CC2)cc1[N+](=O)[O-] 1830362187 NQLZLCQVCVNUBR-DGSRBQDKSA-N 439.556 4.032 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/C(C)C)CC1 1830792547 STLAMNZLMZTIEY-AQKVLALTSA-N 443.544 4.054 5 20 IIBD Cc1cc(Cl)ccc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1c(F)ccc([N+](=O)[O-])c1C 1847364480 NVJHVLROGQUEKV-OALUTQOASA-N 445.878 4.133 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CSc1nnc(N2CCC[C@H](C)C2)n1Cc1ccco1 12159828 JHGWTLJVRSUBGW-HNNXBMFYSA-N 443.529 4.365 5 20 IIBD CCOC(=O)c1cc(C(=O)O[C@@H](C(=O)Nc2ccccc2)c2ccccc2)cc([N+](=O)[O-])c1 12482264 QZLQPPQZBZBQCT-OAQYLSRUSA-N 448.431 4.308 5 20 IIBD COc1ccc(-c2nc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)sc2C)cc1 14501419 UUTTXIOACIRTRG-UHFFFAOYSA-N 435.465 4.473 5 20 IIBD CCN1CCC(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)CC1 14523568 NKFADGBDTPJFTK-UHFFFAOYSA-N 433.892 4.263 5 20 IIBD CCN(CC)[C@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1Cl 15128858 KYMQBHFLKNGXBF-LJQANCHMSA-N 425.938 4.147 5 20 IIBD O=C(OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(C2SCCCS2)cc1 16131514 KISLWCDRKMYKBJ-UHFFFAOYSA-N 444.534 4.210 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)O[C@@H](C)C(=O)Nc2cccnc2Cl)CC1 16925230 UKFOEVXNIAMXKF-AWEZNQCLSA-N 446.891 4.064 5 20 IIBD O=C(COC(=O)c1ccccc1SCc1ccco1)Nc1cc([N+](=O)[O-])ccc1F 18410374 VXDWHVGNPQIPJH-UHFFFAOYSA-N 430.413 4.415 5 20 IIBD C[C@@H](OC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)NCC(F)(F)F 24853780 YEIYLDAWUCBDDB-SNVBAGLBSA-N 446.765 4.264 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@@H](CN3CCCC3)c3ccccc3)cc2)c(C)c1[N+](=O)[O-] 29178442 GYVNFCVDBDKZJJ-QHCPKHFHSA-N 447.539 4.023 5 20 IIBD O=C(Nc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1)C1CCCCC1 32979270 BPIRYMJUJNIVSO-UHFFFAOYSA-N 436.512 4.076 5 20 IIBD Cc1sc2nc(CS[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)[nH]c(=O)c2c1C 36774776 RRNANHZBEZBXSG-LBPRGKRZSA-N 432.527 4.078 5 20 IIBD CC(=O)Nc1ccc(-c2csc(NC(=O)CCNc3ccccc3[N+](=O)[O-])n2)c(F)c1 39540181 OBKMCLNZKCOLTQ-UHFFFAOYSA-N 443.460 4.257 5 20 IIBD CCOc1ccc(C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)cc1[N+](=O)[O-] 46779416 ZHPBUSQVZNNFIJ-UHFFFAOYSA-N 441.465 4.047 5 20 IIBD CCCC(=O)Nc1nc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])cc2s1 60443408 PBUBQXMTTPVLAL-UHFFFAOYSA-N 448.526 4.361 5 20 IIBD O=[N+]([O-])c1cccc(NS(=O)(=O)c2csc(-c3ccc(Br)cc3)n2)c1 64317446 MVCFQQBGHBDPDY-UHFFFAOYSA-N 440.300 4.282 5 20 IIBD CCN1CCN(c2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])c(C)c2)CC1 64418994 QCHHHXWTSNGRQJ-MRXNPFEDSA-N 446.935 4.105 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H]3CCN4CCCC[C@H]34)c([N+](=O)[O-])c2)c(C)c1 301085655 JDQICIUHFADCIN-NHCUHLMSSA-N 444.557 4.051 5 20 IIBD CCc1nc(CN2CCC(CNc3ncc([N+](=O)[O-])cc3Br)CC2)cs1 301524831 IKUIGRMXGXHBRP-UHFFFAOYSA-N 440.367 4.095 5 20 IIBD Cc1cc(NCc2ccc(S(=O)(=O)N(C)C(C)C)cc2)c2cc([N+](=O)[O-])ccc2n1 302188284 QGNBHPCIVHSMRR-UHFFFAOYSA-N 428.514 4.092 5 20 IIBD Cc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 303227223 XHUJSQTYHHYIKC-HNNXBMFYSA-N 425.304 4.192 5 20 IIBD O=C(NC[C@@H]1CCN(C2CC2)C1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 303371851 KGPQXZKZEJGPPE-HNNXBMFYSA-N 428.920 4.074 5 20 IIBD COc1ccc(-c2nn(CCC(=O)Nc3ccccc3[N+](=O)[O-])c(=O)c3ccccc23)cc1 410035430 WBFVJPDMLTXYOH-UHFFFAOYSA-N 444.447 4.009 5 20 IIBD COc1ccc([C@H](CC(=O)O)NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1OC 426788430 NENCBYVZNHQIQT-SFHVURJKSA-N 426.425 4.178 5 20 IIBD O=C(Nc1cc(-c2ccc(Br)o2)no1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 427673353 SRGKCDQXGIMVCE-UHFFFAOYSA-N 444.201 4.043 5 20 IIBD O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1F 429375448 XLYMVAFYILGRHW-UHFFFAOYSA-N 439.428 4.305 5 20 IIBD C[C@H]1Sc2ccccc2N(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)[C@@H]1C 430624392 IEKIMJZVUHBBSP-CHWSQXEVSA-N 441.538 4.404 5 20 IIBD CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCCN(Cc2ccccc2)C1 431468652 ATBNXWMKIBFGQA-GOSISDBHSA-N 432.318 4.094 5 20 IIBD COc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3n2C(C)C)cc1[N+](=O)[O-] 433681836 FXVJBXCYSBNSKM-SFHVURJKSA-N 444.513 4.060 5 20 IIBD CC(C)c1[nH]nc(C(=O)Nc2cccc(C[S@](=O)Cc3ccccc3)c2)c1[N+](=O)[O-] 433769856 YNCVUFYCRNPXLV-SSEXGKCCSA-N 426.498 4.143 5 20 IIBD CC(C)[C@H](O)CNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 434380004 NYMAEGUDHPVDRI-KZIRBZLESA-N 425.510 4.268 5 20 IIBD O=C(Cn1ncc2ccccc2c1=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435445233 DKMPFEAQMBNLOR-UHFFFAOYSA-N 438.490 4.156 5 20 IIBD Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 435822400 POHSWNMWWGSXPH-UHFFFAOYSA-N 431.467 4.148 5 20 IIBD Cc1c(COC(C)(C)C)cccc1NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 437039167 QOOHYFVDXFHZIC-UHFFFAOYSA-N 439.512 4.348 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3nc4cc(F)ccc4n3C)cc2[N+](=O)[O-])C1 437159688 HFYQFBVLWPFOEJ-KBPBESRZSA-N 425.464 4.355 5 20 IIBD Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)C2)c1 437595223 XYKFITDVFIMPQN-LJQANCHMSA-N 436.512 4.338 5 20 IIBD Cc1cc(C)n(-c2ccccc2NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 437912195 BKXJKWSCKFFBRX-UHFFFAOYSA-N 435.484 4.473 5 20 IIBD COc1cc(C(=O)N(C)C)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 438249464 WDCVPRNFYANNJV-UHFFFAOYSA-N 435.436 4.350 5 20 IIBD COCCOc1ccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c(C)c1 438801966 ONIMEWQOZIGMGE-UHFFFAOYSA-N 435.285 4.036 5 20 IIBD COC(=O)c1cc(Br)cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1Cl 440166688 YVGVJIATPPOPRL-UHFFFAOYSA-N 431.601 4.189 5 20 IIBD CC(C)OC(=O)C[C@@H]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 444319668 CZRGHRJEOWYODH-AWEZNQCLSA-N 442.462 4.153 5 20 IIBD COc1ccc(NC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1Cc1ccccc1 444831419 AHZWOOSYUQSGMF-UHFFFAOYSA-N 431.452 4.392 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N1CCC(=Cc2ccc(F)c(F)c2)CC1 446895341 BBAGFTWCGNMXPQ-UHFFFAOYSA-N 427.411 4.138 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC(c2ncc3n2CCCC3)CC1 447688982 ZUBJIMLYAVFBEZ-UHFFFAOYSA-N 440.547 4.094 5 20 IIBD CCN(CC)C(=O)COc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 463201905 KBLVNELKBQFKKO-UHFFFAOYSA-N 440.283 4.401 5 20 IIBD CCN(C(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@H](c1cccnc1)c1ccc(F)c(F)c1 463848088 OQKJHZJIEMFQEO-QHCPKHFHSA-N 440.450 4.342 5 20 IIBD CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1nc(C(F)(F)F)cs1 464183060 CHLONYCKCPCBQA-JTQLQIEISA-N 446.432 4.048 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC(C(F)(F)F)CC1 465638179 UOUISAHHLPTADG-UHFFFAOYSA-N 428.333 4.009 5 20 IIBD O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465833821 LVNCEIGEYYZYNY-FCHUYYIVSA-N 425.485 4.068 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccc(-c3ccccc3)nn2)cc1[N+](=O)[O-])c1ccccn1 466645245 QGTYRENSFBJYJS-MRXNPFEDSA-N 440.463 4.872 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCC3(CCO)CCCC3)c([N+](=O)[O-])c2)c(C)c1 467026727 NYIBMUCKBFQPSM-UHFFFAOYSA-N 447.557 4.367 5 20 IIBD C[C@H](C(=O)Nc1ccccc1N1CCC(CN(C)C)CC1)c1ccc([N+](=O)[O-])cc1F 471232347 WKOFZKUSOOQKIE-INIZCTEOSA-N 428.508 4.254 5 20 IIBD COc1ccc(Cl)cc1C1(CNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CCOCC1 473776987 FPDCQAAFWXVRFC-UHFFFAOYSA-N 433.892 4.435 5 20 IIBD O=[N+]([O-])c1ccc2nc(CSc3nnc(-c4ccccn4)n3Cc3ccco3)[nH]c2c1 473784863 LHFGQMDJRJVLGD-UHFFFAOYSA-N 433.453 4.058 5 20 IIBD O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 474647770 DJAXTTDJLBZXIJ-MRXNPFEDSA-N 436.415 4.420 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(F)cc(NCC(F)(F)F)c2)c(Cl)c1 475787907 PCOOXAYZEGUNGR-UHFFFAOYSA-N 427.763 4.162 5 20 IIBD CCC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 475839726 WUHQYMHVLZTGTJ-UHFFFAOYSA-N 447.694 4.404 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@H]1CCCC[C@@H]1Cc1ccccc1 476378985 IZXVZQLHXPDDEP-QUCCMNQESA-N 437.496 4.201 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 476930197 YXTHEHPDYOKLIL-OAHLLOKOSA-N 448.888 4.214 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@H](C)c3ccc(Br)cn3)cc2[N+](=O)[O-])CC1 477798719 UVQRJUBEMIPNHJ-CQSZACIVSA-N 447.333 4.480 5 20 IIBD C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)N2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)o1 478091340 XQAKSHSQXHNZPO-SPUZQDLCSA-N 449.511 4.030 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OC(F)F)c3cccnc23)c2ncccc12 479556034 PUDMVZKAAOUFQB-UHFFFAOYSA-N 446.391 4.093 5 20 IIBD Cc1cc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)ccc1NC(=O)c1ccco1 479666557 PLHQJFPFVLVUCY-UHFFFAOYSA-N 431.408 4.187 5 20 IIBD COCCN(C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])c1nc2ccccc2s1 482381771 OIJRNPUSCWNSEE-UHFFFAOYSA-N 433.511 4.228 5 20 IIBD COc1cc(C(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)c([N+](=O)[O-])cc1OC 482453080 ZMXOXPDNMWIDDC-UHFFFAOYSA-N 436.346 4.069 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CN[C@H](CO)c3ccc(Cl)cc3C(F)(F)F)n2)cc1 483270965 OWXBPPQRAIGKCA-OAHLLOKOSA-N 442.781 4.140 5 20 IIBD COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 484246861 QJMWDNLVOWKASB-UHFFFAOYSA-N 438.267 4.040 5 20 IIBD COc1cc(CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc(Br)c1OC 486939665 QJTPTEJZWWUILF-UHFFFAOYSA-N 435.234 4.037 5 20 IIBD O=C(Nc1ccc(Oc2cccc(F)c2F)nc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 487154248 PTKVQNYMICVNAH-UHFFFAOYSA-N 429.335 4.084 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CNc3cc(Cl)ccc3OC[C@H]3CCOC3)n2)cc1 488230388 YTNPYXLUWLBWMT-ZDUSSCGKSA-N 430.848 4.326 5 20 IIBD CCn1c(SCCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)nnc1-c1ccc(F)cc1 489640490 AWZDKIQVZOCJHI-UHFFFAOYSA-N 445.476 4.142 5 20 IIBD CCCN(C(=O)c1cc(OCC)c(OC)cc1[N+](=O)[O-])[C@@H](C)C(=O)Nc1ccccc1C 489986854 QEOOILPCDVKZLS-INIZCTEOSA-N 443.500 4.190 5 20 IIBD O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1cc2c(cc1Cl)OCCCO2 490818528 KHVADCIRYKWZQI-UHFFFAOYSA-N 431.876 4.013 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Nc2ccccc2NC(=O)c2cccs2)cc1[N+](=O)[O-] 491832211 OOXHRQDAZUNUHU-UHFFFAOYSA-N 431.495 4.326 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 494708200 KALSDPUFNGELSW-GOSISDBHSA-N 437.477 4.467 5 20 IIBD C[C@@H](c1cccc(Cl)c1)N(C)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 499155273 XZEAKAOXDCTRPB-LBPRGKRZSA-N 431.905 4.361 5 20 IIBD CC(C)N(Cc1ccc(NC(=O)c2c(N)cccc2[N+](=O)[O-])cc1)C[C@H]1CCCCO1 500040377 ZHJVAOVTOVOXFP-LJQANCHMSA-N 426.517 4.209 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)Nc2ccnc(N(C)C)c2)cc1[N+](=O)[O-] 500426521 SFCGJURJCWQQOO-UHFFFAOYSA-N 436.493 4.261 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)N1CCN(C2CCCC2)CC1 502195011 LZQVSAYHQLAJOR-JOCHJYFZSA-N 442.947 4.488 5 20 IIBD CCOc1ccc(C(=O)NCC2(c3cc(Cl)ccc3OC)CCOCC2)cc1[N+](=O)[O-] 503972245 IRYDWWXJZHJXHW-UHFFFAOYSA-N 448.903 4.134 5 20 IIBD O=C(CC1CCCCC1)NCCNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 505080761 SDTFDOXRCIVKAG-UHFFFAOYSA-N 438.528 4.023 5 20 IIBD CN(CCCc1cc(-c2ccccc2)no1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 507198651 YOWPUDSGJILOEN-UHFFFAOYSA-N 428.876 4.406 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC1CCN(c2ccccc2)CC1 507615366 YYGPUIMKEKVEPV-UHFFFAOYSA-N 439.459 4.491 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 507671713 FWDBJFMPSYZTEM-GJZGRUSLSA-N 443.454 4.363 5 20 IIBD CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 508457057 NJLUMQAKOMLVLW-ACJLOTCBSA-N 447.438 4.134 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)c1c(F)cccc1F 509564681 UWADBAMQSXERSV-UHFFFAOYSA-N 432.164 4.063 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])Cc1noc(Cc2ccc(Br)cc2)n1 511083002 WKPVHSQDDGOCKH-UHFFFAOYSA-N 431.290 4.006 5 20 IIBD COc1ccc(F)cc1[C@@H](C)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 515431898 UTGRWNJWBMNBPG-MNOVXSKESA-N 429.370 4.439 5 20 IIBD COc1ccc(CC(=O)N(C)Cc2cc(Br)ccc2Cl)cc1[N+](=O)[O-] 515740603 JNNIIJIJPBYQDT-UHFFFAOYSA-N 427.682 4.220 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 517578268 ZZSPMHNSRCECEH-HNNXBMFYSA-N 425.514 4.499 5 20 IIBD C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)c2)C1 519496564 QVDCLVBJLQBOPM-IIBYNOLFSA-N 425.485 4.059 5 20 IIBD C[C@H](CC(C)(C)c1ccccc1)NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 520621045 QFOQZUXAZNEWOW-MRXNPFEDSA-N 425.485 4.156 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(-c3ccc(OCc4ccccc4)cc3)no2)ccc1-n1cncn1 521050701 AIWBTIHOVOZZJX-UHFFFAOYSA-N 440.419 4.472 5 20 IIBD CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c1 522259389 SXUXLALTJYDEAA-UHFFFAOYSA-N 428.876 4.322 5 20 IIBD CC(=O)N1CCCc2cc(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])ccc21 522817911 WHJPQCDAXUMIQK-UHFFFAOYSA-N 437.374 4.087 5 20 IIBD COc1cc(C(=O)Nc2ccccc2-c2n[nH]c(-c3ccccc3)n2)cc([N+](=O)[O-])c1OC 525577740 XQMIKDJXRQIXQE-UHFFFAOYSA-N 445.435 4.316 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCN(Cc2ccc(F)cc2)CC1 532899472 VTRXOBZSDPZZEE-MRXNPFEDSA-N 425.464 4.053 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c([N+](=O)[O-])c1 533032754 LPWNDCIOHQRIEE-CQSZACIVSA-N 438.459 4.340 5 20 IIBD C[C@H](N=c1c([N+](=O)[O-])c[nH]c2ccc(Br)cc12)c1ccc([S@@](C)=O)cc1 533686785 SPMIJOLTFVTFGW-KPHLJTLVSA-N 434.315 4.238 5 20 IIBD CN1CC[C@@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 534224867 UZQQYVCDZKYHNQ-KPZWWZAWSA-N 426.275 4.464 5 20 IIBD CC[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H](c1ccc(C)cc1)n1cncn1 535220437 OZNKSQMJKUUKJJ-PKOBYXMFSA-N 447.417 4.312 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCc2c(C)cc(C)cc21 535665989 NRVPXNFXGKORKD-UHFFFAOYSA-N 428.510 4.460 5 20 IIBD CC[C@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 535904934 HPQKLZXNSPQEHL-FCHUYYIVSA-N 434.496 4.064 5 20 IIBD O=C(NCCNc1ncnc2ccc([N+](=O)[O-])cc12)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 536097909 GAPBFKXNXHSUFU-GJZGRUSLSA-N 446.294 4.177 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN3CCn4c(nnc4C(F)(F)F)C3)o2)c(Cl)c1 536661652 AKOKBDWCUBRYKI-UHFFFAOYSA-N 427.770 4.134 5 20 IIBD O=C(CNC1(c2ccc3c(c2)OCCO3)CCCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] 537042363 KCRUUMWTLONIOR-UHFFFAOYSA-N 431.876 4.017 5 20 IIBD CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 538424442 GFMIDRSFWLRZBQ-PIGZYNQJSA-N 430.354 4.181 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1ccc(N2CCc3ccccc3C2)nc1 539842369 UNFUVTCVTSPOPH-UHFFFAOYSA-N 430.508 4.408 5 20 IIBD CC(C)[C@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1F 542899335 PUXBQMSPXQLYKR-INIZCTEOSA-N 428.247 4.493 5 20 IIBD O=C(NCC1CC1)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 543550851 KKDBEZWMTQDOAN-GOSISDBHSA-N 445.585 4.256 5 20 IIBD O=C(NCCC[C@H]1CCCCO1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 544827334 ZJQMSVCCVGIULA-CYBMUJFWSA-N 427.288 4.166 5 20 IIBD O=C(NC1CC1)c1ccc(-c2noc(-c3csc(-c4cccc([N+](=O)[O-])c4)n3)n2)cc1 547041026 HSIXNVAOUPERPZ-UHFFFAOYSA-N 433.449 4.328 5 20 IIBD COc1ccc(Cc2noc(CCc3cccc([N+](=O)[O-])c3)n2)c(Br)c1OC 547063458 XQRBBVOVONFIHZ-UHFFFAOYSA-N 448.273 4.134 5 20 IIBD COc1ccc(-c2noc(CCCc3nc(Cc4cccc([N+](=O)[O-])c4C)no3)n2)cc1 547201444 VLGUQWZPEFZCKM-UHFFFAOYSA-N 435.440 4.111 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3cccc(OCC(F)F)n3)no2)c(Br)c1 547257039 HGYROYCMOGKRNC-UHFFFAOYSA-N 427.161 4.113 5 20 IIBD Cc1cc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCO2)ccc1F 549502879 UTAWUAIOORCDIN-IBGZPJMESA-N 425.464 4.116 5 20 IIBD CN(CC(=O)Nc1ccccc1Br)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F 549741662 NRFDHWXHXKOGJR-UHFFFAOYSA-N 446.223 4.447 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)N2CCCC[C@@H]2c2nc3ccccc3n2C)c1[N+](=O)[O-] 555374253 HCWFLBOBBCELKC-GOSISDBHSA-N 428.514 4.014 5 20 IIBD C/C(=C\c1ccccc1)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 555474645 IFGZIACFSGYNIO-ITICKHJUSA-N 433.512 4.430 5 20 IIBD O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CCC[C@H]1c1cccc2c1OCCO2 555559414 MWXMYTCHBKTOED-IBGZPJMESA-N 431.448 4.405 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)O[C@H](c2ccsc2)C1 565078785 OPJVJIIMMJMWMZ-HWPZZCPQSA-N 425.304 4.329 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCn2c(cc3c(Cl)cccc32)C1 575983247 VEEKFCPUPKDOPR-CYBMUJFWSA-N 428.876 4.054 5 20 IIBD CC(C)[C@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCO1 576546397 NJFZGFACJPXSDI-HXUWFJFHSA-N 445.903 4.388 5 20 IIBD Cc1nc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)ccc1-c1ccccc1 578583815 RZFGCNYPTOHKQH-UHFFFAOYSA-N 432.480 4.341 5 20 IIBD C[C@@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccc(Br)cc1F 586837340 DGCVCCGFWCKHEI-LLVKDONJSA-N 433.237 4.173 5 20 IIBD Cc1ccccc1C(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 603502024 QIDYVHBCSYOJRP-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(Cl)c(N2CCCC2=O)c1 603639163 TYNCERSBHZMECN-UHFFFAOYSA-N 425.775 4.229 5 20 IIBD CN1CC(=O)N(c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)c2)C1=O 603775064 KOCIVBNKKNSHIU-UHFFFAOYSA-N 446.419 4.038 5 20 IIBD COc1ccc(-c2cc(C(=O)NCc3ccccc3[N+](=O)[O-])nn2-c2ccccc2)cc1 603918694 UPSDZNSEIZSCSJ-UHFFFAOYSA-N 428.448 4.386 5 20 IIBD COc1cc(C(=O)N[C@@H]2CCN3CCC[C@@H]3C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 603919703 WSVVOAOEDQYNOH-IAGOWNOFSA-N 445.903 4.406 5 20 IIBD CCCCOc1ccc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c(C)c1 604198004 DXTBDNYEFLBIBZ-UHFFFAOYSA-N 427.457 4.409 5 20 IIBD O=C(c1cnc(-c2ccccc2Cl)s1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 604515995 ORWJIHDMRBLJKA-UHFFFAOYSA-N 428.901 4.334 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)ccc1[N+](=O)[O-] 608802069 BYERVUQCYUBUFO-JOCHJYFZSA-N 437.540 4.464 5 20 IIBD O=C(NCCCCCc1ccccc1)c1ccc([N+](=O)[O-])cc1I 609015143 JPQOMHLXIQKIMG-UHFFFAOYSA-N 438.265 4.342 5 20 IIBD Cc1nn(CCC(=O)N2CCCc3cc(Br)cc(Cl)c32)c(C)c1[N+](=O)[O-] 609219298 MFPRMRYEHHLWRT-UHFFFAOYSA-N 441.713 4.194 5 20 IIBD COc1ccccc1[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 609387822 SDFJBYTVGIAALH-HXUWFJFHSA-N 432.885 4.325 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)Nc1c(C)c(C)nn1-c1ccc(Br)cc1 609871408 CZCFGCVOIPVABL-UHFFFAOYSA-N 445.273 4.421 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCS[C@H](c2ccccc2)C1 610264910 OAPGCXCYDMFWKL-HNNXBMFYSA-N 433.338 4.380 5 20 IIBD CNC(=O)c1cc(Oc2cccc(Oc3ncnc4ccc([N+](=O)[O-])cc34)c2C)ccn1 611708410 OAOICIOAJYZTMQ-UHFFFAOYSA-N 431.408 4.186 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1nc(Cc2ccc3c(c2)CCO3)no1 612911827 HYXHKYPVXQSSCU-UHFFFAOYSA-N 434.374 4.177 5 20 IIBD CO[C@]1(C(F)(F)F)CCCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C1 614869730 WKAJDLSXVGPFAW-LJQANCHMSA-N 429.439 4.015 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCN[C@@H](c2ccccc2Cl)C1 619777985 KOFWCYXVKIRFTL-QGZVFWFLSA-N 428.901 4.158 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)OC(C)(C)C)Cc2ccccc21 728005725 XUCHCDFUQYQLAN-UHFFFAOYSA-N 427.457 4.001 5 20 IIBD Cc1nc(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)nn1-c1c(Cl)cccc1Cl 728234905 KACBIKPGKCDAAZ-UHFFFAOYSA-N 428.182 4.321 5 20 IIBD CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 728261958 XZQRZZDMJMHKAW-UHFFFAOYSA-N 435.864 4.404 5 20 IIBD C[C@@H](OC(=O)c1ccc(Oc2ccccc2)c(N)c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 728639057 HBGHVYYNSBEKMJ-CYBMUJFWSA-N 439.399 4.292 5 20 IIBD COc1ccc([N+](=O)[O-])cc1OC(=O)C[C@@H](NC(=O)c1ccc(C)cc1)c1ccccc1 729825533 JXWSOUXHHQJLSS-HXUWFJFHSA-N 434.448 4.379 5 20 IIBD CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cc([N+](=O)[O-])c(F)cc2F)NC(=O)N1C1CC1 731431809 ONHQTLSDHQTPME-HXUWFJFHSA-N 443.406 4.119 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)O[C@H](C)c2ccc(OC(F)F)cc2)ccc1[N+](=O)[O-] 734729360 MUNDOQVULKNUKM-KUHUBIRLSA-N 448.422 4.414 5 20 IIBD COc1ccc([C@@H]2[C@@H](COC(=O)c3ccc(Cl)cc3[N+](=O)[O-])CCC(=O)N2C)cc1 735786317 WUHPGZAFXGQHGX-JLTOFOAXSA-N 432.860 4.023 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 741933882 BLRUNHUTFKOOQA-FXAWDEMLSA-N 449.891 4.225 5 20 IIBD O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1cc(Cl)ccc1OC[C@@H]1CCCO1 743279949 CMPBXAUWCQQGSB-PBXDPIQXSA-N 428.828 4.151 5 20 IIBD Cc1c(NS(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])cccc1C(=O)Nc1ccccc1 748214837 LAJONOJILSJDNU-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD COc1c([N+](=O)[O-])cc(NC2CCN(C3CCCC3)CC2)c([N+](=O)[O-])c1Br 749104153 LHQFEQLSZYGRJD-UHFFFAOYSA-N 443.298 4.093 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 749506484 XIHMIIZBJBCNBQ-PSGMQZRDSA-N 435.883 4.302 5 20 IIBD COc1ccccc1-n1c(SC[C@@H](O)c2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O 749637868 AZHWRZNALDLRFB-HXUWFJFHSA-N 449.488 4.128 5 20 IIBD O=C(CN(Cc1ccccc1)C[C@H](O)c1ccsc1)Nc1ccc(Cl)cc1[N+](=O)[O-] 756899621 KXXKULKHPBTKGP-FQEVSTJZSA-N 445.928 4.484 5 20 IIBD Cc1cc(F)cc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)c1[N+](=O)[O-] 758473184 APRGXHNDJUZVFT-IBGZPJMESA-N 449.910 4.278 5 20 IIBD CC[C@H](C)n1ncc2c(C(=O)O[C@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)cc(C)nc21 759936716 GPBCBSLLMUNUQL-QGTPRVQTSA-N 426.477 4.156 5 20 IIBD CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2cnc(C3CCC3)s2)NC(=S)N1C 760338545 OQLMFKBDYOZMLP-QGZVFWFLSA-N 443.554 4.093 5 20 IIBD CC[C@H](OC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1ccc(Br)cc1 761113070 BHSVALMZONKIKR-INIZCTEOSA-N 442.287 4.069 5 20 IIBD CN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C1CCC(NC(=O)OC(C)(C)C)CC1 762457233 QKLJDLYWXKDTQF-UHFFFAOYSA-N 437.512 4.306 5 20 IIBD O=C(OCC(=O)[C@@H]1CCOC1)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 762840773 DJWCFPLPAMSQLL-CYBMUJFWSA-N 444.490 4.118 5 20 IIBD Cc1nc(-c2cccc(NC(=O)COC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)c2)cs1 763404442 RLDKKXWJYDUKCV-CYBMUJFWSA-N 425.466 4.312 5 20 IIBD O=C(Nc1ccc(OS(=O)(=O)CC2CCCC2)cc1)c1cc([N+](=O)[O-])ccc1Cl 765168543 VWOCLZMVKOZXIY-UHFFFAOYSA-N 438.889 4.399 5 20 IIBD CCC1(C(=O)OCc2cc(OC)c(F)cc2[N+](=O)[O-])CCN(C(=O)c2ccccc2)CC1 766223812 ALGBTOLBEFRPGQ-UHFFFAOYSA-N 444.459 4.118 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)c1ccc(OC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 767082949 LCPCSWDYRNCMDY-ZDUSSCGKSA-N 444.440 4.171 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 768323052 RAPVKDWCOWAOMX-LBPRGKRZSA-N 441.793 4.222 5 20 IIBD CN(C[C@@H]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1)C(=O)OC(C)(C)C 769332175 IKANUJZXZRVNFV-AWEZNQCLSA-N 428.327 4.046 5 20 IIBD Cc1sc2ncnc(N3CCC(C(=O)Oc4cc(F)cc([N+](=O)[O-])c4)CC3)c2c1C 771494232 WSEKIYSCUXHNRL-UHFFFAOYSA-N 430.461 4.177 5 20 IIBD COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 772448189 VODRPAKQNSQXTI-MRXNPFEDSA-N 441.484 4.024 5 20 IIBD CCN(CC)C(=O)c1ccc(C(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)cc1 773415463 FILJIVTVKOBSLE-UHFFFAOYSA-N 435.274 4.196 5 20 IIBD COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C2)n1 773667518 GONMODJIDAHLEZ-OAHLLOKOSA-N 438.509 4.329 5 20 IIBD O=C(Nc1ccc(-c2ccc[nH]2)cc1)c1cc([N+](=O)[O-])ccc1I 775559817 WXJJZWIBZDVRLU-UHFFFAOYSA-N 433.205 4.447 5 20 IIBD O=C(Oc1ccccc1-c1nnco1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 776338617 DYHSEHVEIWSSLQ-UHFFFAOYSA-N 446.206 4.357 5 20 IIBD CCC(CC)n1nc(C(=O)OC2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)cc1C 776528378 WCAISNDSPXDRFQ-UHFFFAOYSA-N 430.505 4.295 5 20 IIBD CCCc1nc(C)c(NC(=O)c2ccc(I)c([N+](=O)[O-])c2)s1 777040582 ZUUPKCSECQWHIC-UHFFFAOYSA-N 431.255 4.169 5 20 IIBD CN(CCOC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)Cc1ccc(F)cc1 781256299 ALBKJRIOBLOCHM-UHFFFAOYSA-N 440.421 4.387 5 20 IIBD CC[C@H](c1ccccc1)c1nn(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(=S)o1 782858815 DHNZOLJRSBDNBL-QGZVFWFLSA-N 428.518 4.147 5 20 IIBD COC(=O)c1cc(C(=O)N2CCCCc3c(Br)cccc32)cc([N+](=O)[O-])c1 784122723 YMURZBNNFZKYOY-UHFFFAOYSA-N 433.258 4.127 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccn(-c2cccc(C(F)(F)F)c2)n1 791932016 VJEGIQQGOKCYBV-UHFFFAOYSA-N 436.302 4.065 5 20 IIBD CC[C@@H](c1ccncc1)N(CC)S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] 795853220 AAERZAZSOKDFTC-AWEZNQCLSA-N 446.298 4.053 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCC(C)=C(Br)C2)c1=S 797420578 SQGXEBFCUUIQQC-UHFFFAOYSA-N 438.351 4.341 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1Br 798393809 GVCXFPQNNDHDFG-QGZVFWFLSA-N 434.290 4.282 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C(C)(C)C1 801052826 FXZGWIOHIOOWSM-INIZCTEOSA-N 443.903 4.082 5 20 IIBD COc1cc(CCNC(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])cc1OC 801799512 DYLCTTVBVAQYPR-KRWDZBQOSA-N 430.354 4.000 5 20 IIBD CC(C)(C)OC(=O)NCc1cc(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)co1 809433242 FBSGKKMVHFHRSX-UHFFFAOYSA-N 439.428 4.335 5 20 IIBD COC(=O)c1ccc(CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)c(Br)c1 809918222 VYJSSQSZTCOSFV-UHFFFAOYSA-N 442.653 4.119 5 20 IIBD CC(C)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1 810350372 JDOBXXTYPOIRDE-UHFFFAOYSA-N 434.290 4.078 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc(C(F)(F)F)cc(Cl)n2)cccc1[N+](=O)[O-] 811230900 YRYLNQIDGFVODL-SECBINFHSA-N 431.754 4.154 5 20 IIBD O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[C@](CO)(Cc2ccc(F)cc2)C1 813893994 RLLJEJHLZUUVIV-IBGZPJMESA-N 427.259 4.108 5 20 IIBD Cc1cc(F)cc(C(=O)N(C)CC(=O)NC(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 817026119 OVDGRABFBPYPOI-UHFFFAOYSA-N 435.455 4.020 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCCc1cnc(SC2CCCC2)nc1 819064492 UCDXXFWPMRAHAP-UHFFFAOYSA-N 438.912 4.113 5 20 IIBD Nc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1[N+](=O)[O-] 819911251 YGMXFKFRLYIBLC-UHFFFAOYSA-N 446.492 4.156 5 20 IIBD CSc1ccc(C(=O)O[C@@H](C(=O)N2CCc3sccc3C2)C(C)C)cc1[N+](=O)[O-] 876685438 QSQZPAJJXAOWLI-GOSISDBHSA-N 434.539 4.145 5 20 IIBD COCc1ccccc1C(=O)O[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 914943589 VIRJOIOGAMNFAX-ZDUSSCGKSA-N 441.465 4.049 5 20 IIBD O=[N+]([O-])c1cccc(-c2nccc(/C=C\c3cc(Cl)c4c(c3)OCCCO4)[n+]2[O-])c1 915987361 BSFOCKXSKVPXDE-WAYWQWQTSA-N 425.828 4.275 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)NCCc1ccc(F)cc1 917257683 SNSBGIWSGTWPMD-UHFFFAOYSA-N 438.411 4.042 5 20 IIBD COc1cc(/C=C2/N=C(c3ccoc3C)OC2=O)c([N+](=O)[O-])cc1OCc1ccccc1 917414457 HFKGAZQJHWRDGL-VCHYOVAHSA-N 434.404 4.428 5 20 IIBD O=[N+]([O-])c1ccc(NC(=S)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)cc1 917597521 LOBYZXMZQSKPLJ-ZDUSSCGKSA-N 435.347 4.170 5 20 IIBD COc1ccccc1C1(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CCC1 1116171403 SXDXQWHXDIAKTO-CYBMUJFWSA-N 432.860 4.249 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 1116236738 IIHBNJVBUXTDFQ-NSHDSACASA-N 447.264 4.393 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCO[C@@H](c2ccc(Cl)s2)C1 1116242787 DEMPWWHDZUWJHH-LLVKDONJSA-N 449.685 4.425 5 20 IIBD O=C(Nc1ccc(SC(F)(F)F)cc1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 1317994051 JEWMOEANGOBINI-JTQLQIEISA-N 443.378 4.337 5 20 IIBD COc1c([N+](=O)[O-])cc(NC2CCC3(CCOCC3)CC2)c([N+](=O)[O-])c1Br 1319493033 PLSIBICYQXOQAU-UHFFFAOYSA-N 444.282 4.425 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(OC)c1Br 1320337638 IBZBOKWWITWNES-UHFFFAOYSA-N 441.303 4.357 5 20 IIBD Cc1ccc([N+](=O)[O-])c(-c2nnc(-c3nn(Cc4ccccc4)c(=O)c4ccccc34)o2)c1 1322721599 SWBKIECYTNANDA-UHFFFAOYSA-N 439.431 4.378 5 20 IIBD COc1ccc(-c2nnc(N(Cc3cccc([N+](=O)[O-])c3)C3CC3)n2C[C@@H]2CCOC2)cc1 1324250781 LUUUMZRNMPLTAP-SFHVURJKSA-N 449.511 4.067 5 20 IIBD Cc1oncc1C(=O)Nc1ccc(C2(NC(=O)c3cccc(F)c3[N+](=O)[O-])CCC2)cc1 1787451078 IXEWKIBWWVVEIB-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD CC1=CC[C@H](C(=O)N2CCC3(CCCN(C(=O)Cc4cccc([N+](=O)[O-])c4)C3)CC2)CC1 1804751685 FCIMZBRCVWSIQQ-NRFANRHFSA-N 439.556 4.115 5 20 IIBD CC/C=C(\C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 1832521929 VGOKETJVKIWIBW-FMDURADSSA-N 443.544 4.193 5 20 IIBD COc1cc(CSc2nncn2-c2ccccc2OC)c([N+](=O)[O-])cc1OC(F)F 12939953 LXKXFZCEELZQNA-UHFFFAOYSA-N 438.412 4.086 5 20 IIBD COc1cccc(NC(=O)COc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)c1 15790809 KJKLONKGLMBMKV-UHFFFAOYSA-N 435.436 4.182 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C)C(=O)Nc1ccccc1OC(F)F 17048821 VUXPLUJNDFDXKM-NEPJUHHUSA-N 440.424 4.247 5 20 IIBD CN(Cc1nc2ccccc2s1)c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] 18059782 YDRXITMQXQUQNH-UHFFFAOYSA-N 431.417 4.134 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccc(F)cc1 18136063 HDYBCRJHSZEBAU-GOSISDBHSA-N 429.477 4.141 5 20 IIBD C[C@@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 22173994 ZEGRPUPBDBFAMA-SSDOTTSWSA-N 433.437 4.159 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(Br)cc2Cl)c(Cl)c1 22453053 PCOJDCZEYRLDRP-UHFFFAOYSA-N 427.059 4.432 5 20 IIBD Cn1ccc(C(=O)COC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)c1 23895417 NKYIFTZNZLPILA-UHFFFAOYSA-N 427.844 4.239 5 20 IIBD CCn1c(SCC(=O)NCCCc2ccccc2)nc2cc3ccccc3cc2c1=O 24890816 PYJCXKWPQXEKDH-UHFFFAOYSA-N 431.561 4.411 5 20 IIBD O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl 28828026 BMBQHBRLMRXCQP-UHFFFAOYSA-N 443.916 4.496 5 20 IIBD COc1cc(C(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)c([N+](=O)[O-])cc1OC 36726975 VXMDBEOSQNTBRE-UHFFFAOYSA-N 427.438 4.190 5 20 IIBD C[C@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 64692947 MTAQQXSSBXMYFJ-LBPRGKRZSA-N 429.274 4.249 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1cccc(COCc2ccccc2)c1 71991038 LIYFLVYHUAFHEG-UHFFFAOYSA-N 426.494 4.099 5 20 IIBD CC(C)(C)OC(=O)N1CCc2nc(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)sc2C1 108829171 LTLALDUTAOUVRN-UHFFFAOYSA-N 443.485 4.078 5 20 IIBD O=C1[C@H](NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCN1CC(F)(F)F 237864196 SIFQGBZRSYZKTQ-CQSZACIVSA-N 443.809 4.293 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(NCCCc2ccc(Br)cc2F)s1 301941382 VWHJRYIMTKNVCZ-UHFFFAOYSA-N 437.312 4.006 5 20 IIBD C[C@@H](CC(=O)O)NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 427308843 NGNREKVACFGCEG-JTQLQIEISA-N 428.388 4.358 5 20 IIBD Cc1cc(C2CCN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)ccc1Br 427784486 OECYXFMAYBXEON-UHFFFAOYSA-N 446.301 4.010 5 20 IIBD O=C(NC[C@@H](CO)Cc1ccc(Br)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 430118127 GDBHFKBOCCLPNX-ZDUSSCGKSA-N 449.326 4.153 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCc2cccc3c2OCCCO3)cc1[N+](=O)[O-])c1ccccn1 431882842 LVFNAFSTOXSXHC-INIZCTEOSA-N 448.479 4.254 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H](Cc2ccc(Br)cc2)C1 433321537 VMSMVZBUJVMNFR-INIZCTEOSA-N 432.318 4.169 5 20 IIBD COc1cc(NC(C)=O)ccc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 435436709 HEVOFNDKTBADCA-UHFFFAOYSA-N 426.473 4.050 5 20 IIBD CCOC(=O)c1sc(NC(=O)c2cccc(OC)c2[N+](=O)[O-])nc1-c1ccccc1 435668007 SOHDWCJLJIOEAU-UHFFFAOYSA-N 427.438 4.156 5 20 IIBD CCCCCN(C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1O)C(C)C 436562265 MYYZWKAYHDKWOR-UHFFFAOYSA-N 449.529 4.142 5 20 IIBD O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437051870 PDELQUWJDVVYAG-UHFFFAOYSA-N 441.793 4.397 5 20 IIBD COCCCOc1ccccc1NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 437840211 IRMIZOCMZKFLEI-UHFFFAOYSA-N 429.473 4.085 5 20 IIBD COC(=O)c1cc(Br)cc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)c1Cl 440156215 CPGORLIHBOMXOX-UHFFFAOYSA-N 441.665 4.287 5 20 IIBD O=C(NCCOc1ncc(Cl)cc1Cl)c1ccc2[nH]c3ccccc3c(=O)c2c1 444222081 FUKAWIAFRAUSQF-UHFFFAOYSA-N 428.275 4.192 5 20 IIBD CC(=O)N1CC[C@H](NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c2ccccc21 444255783 DXHXLSUTMSBHAS-FQEVSTJZSA-N 447.441 4.187 5 20 IIBD O=C(NCc1ccnc(OC2CCC2)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444284051 DSOAJIRQDRPBID-UHFFFAOYSA-N 435.430 4.216 5 20 IIBD CCOc1ccc(NC(=O)CN[C@H](C)c2nc3ccccc3n2C(F)F)c([N+](=O)[O-])c1 444679557 VMGRZMNLQRNYIK-GFCCVEGCSA-N 433.415 4.028 5 20 IIBD Cc1oc(-c2cccc(C(F)(F)F)c2)nc1-c1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 445617598 ATZCDRABSISTOG-UHFFFAOYSA-N 434.334 4.336 5 20 IIBD CC[C@@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 446019428 IAQQUHSUJRWOFR-SNVBAGLBSA-N 427.276 4.071 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1CCc2ncsc2C1 446079612 JUPHRVGYIOYWJH-IBGZPJMESA-N 428.901 4.443 5 20 IIBD C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 446253452 RBEPUYJHZJSBQQ-GTNSWQLSSA-N 426.803 4.452 5 20 IIBD O=C(Nc1cccn(Cc2ccccc2)c1=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 446514884 OHXALGSLDJZFNS-UHFFFAOYSA-N 432.461 4.181 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Nc2nnc(-c3cc4c(s3)CCCC4)o2)cc1[N+](=O)[O-] 446777425 RLKYOAODCQZLNC-UHFFFAOYSA-N 434.499 4.003 5 20 IIBD Cc1nc(-c2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc34)c2)cs1 463520477 XJPDIQUJNQCFMJ-UHFFFAOYSA-N 426.479 4.376 5 20 IIBD O=C(Cc1ccccc1[N+](=O)[O-])N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl 464211008 WIIWVDRWKMMZGI-HSZRJFAPSA-N 438.867 4.468 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C[C@@H]1C[C@H]2C=C[C@H]1C2)C1CCN(C)CC1 464688248 IEZBOKFJWLQAGF-VJANTYMQSA-N 429.586 4.210 5 20 IIBD CC[C@H]1Oc2cc([C@H](C)NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)ccc2NC1=O 466767668 SJWAMPOZIPCBMH-MGPUTAFESA-N 440.500 4.386 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 470141465 OUYDUHZXOJVJHY-UHFFFAOYSA-N 440.475 4.169 5 20 IIBD COC(=O)c1nc([C@@H]2CCCN2C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])sc1C 471319788 AAICTMKYLMZVBZ-LBPRGKRZSA-N 443.403 4.142 5 20 IIBD Cc1cc(C(=O)N[C@@H](C)c2nc(-c3ccc(Br)cc3)no2)cc([N+](=O)[O-])c1 472602667 QRWBVHZEIGCFLJ-NSHDSACASA-N 431.246 4.207 5 20 IIBD CCN(CC)CCO[C@H]1CCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 472744216 CBEQQIUQFXWKAZ-QFIPXVFZSA-N 442.516 4.352 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 474779196 DXASBAZAEAVUGX-MRXNPFEDSA-N 443.257 4.385 5 20 IIBD O=C(c1cc(Br)ccc1Br)N1CCc2ccc([N+](=O)[O-])cc21 475488509 RZTSQRZCMJPFRU-UHFFFAOYSA-N 426.064 4.323 5 20 IIBD COC(=O)C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 477499774 DFQGQHVXYRYFMG-AWEZNQCLSA-N 430.766 4.301 5 20 IIBD Cc1c(NC(=O)C(=O)NCc2nc(-c3cc4ccccc4o3)cs2)cccc1[N+](=O)[O-] 477571918 SLEWNOWGBNXNIW-UHFFFAOYSA-N 436.449 4.028 5 20 IIBD O=C(Nc1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)nc1)c1ccccc1 477925013 HCIGGKAOOOFMTB-UHFFFAOYSA-N 445.479 4.097 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] 478234774 PCFIRUCOKBBQQF-JKSUJKDBSA-N 438.452 4.110 5 20 IIBD CCc1cc(Br)ccc1NC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C 478615708 ABOSAVDSUOYJJI-UHFFFAOYSA-N 430.262 4.061 5 20 IIBD COc1cc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)cc([N+](=O)[O-])c1C 480553680 LRQNLVMBAINVEV-MRXNPFEDSA-N 427.505 4.097 5 20 IIBD C[C@@H](NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1)c1ccc([N+](=O)[O-])cc1 481180852 MUIKZFRDTKLAIG-MRXNPFEDSA-N 443.500 4.063 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]1c1nc2ccccc2n1C(C)C 481434010 JNHKMXNGLKVPBG-IBGZPJMESA-N 428.514 4.360 5 20 IIBD CCOc1cc(N2CCN(CCCC(=O)Nc3c(C)cccc3C)CC2)ccc1[N+](=O)[O-] 481783419 QZWGUXAUGMFZBT-UHFFFAOYSA-N 440.544 4.151 5 20 IIBD O=C(Cc1cccc(F)c1)N1CCCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 482219300 BFRGNPMSLQQREF-UHFFFAOYSA-N 441.506 4.444 5 20 IIBD Cc1cc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])n([C@@H]2CCN(Cc3ccccc3)C2)n1 484153574 BQZKUYQSDGDXFD-HXUWFJFHSA-N 447.539 4.463 5 20 IIBD CCc1c(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cnn1C(CC)CC 484240324 WHNDPEJRTONWSB-UHFFFAOYSA-N 429.521 4.091 5 20 IIBD O=C(c1ccc(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1)C1CCC1 486073488 ZCGJFCGDIDNYDS-UHFFFAOYSA-N 439.287 4.141 5 20 IIBD C[C@@H]1CN(C2CCN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)CC2)CCO1 487207085 ZBDZOCOWEWIJCZ-QGZVFWFLSA-N 441.553 4.071 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 487414371 QFNUGYPXBIUKGM-KRWDZBQOSA-N 442.541 4.402 5 20 IIBD COc1c(F)cc(S(=O)(=O)Nc2ccc(Br)cc2C(C)C)cc1[N+](=O)[O-] 488239368 XRXPRGAZKXHUDV-UHFFFAOYSA-N 447.282 4.429 5 20 IIBD CC[C@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])Oc1cccc(C)c1 488435174 KQSFRPOQKZDDBH-CQSZACIVSA-N 426.391 4.432 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1nc2ccccc2n1C(C)C 489226636 VJVFWWIZGCVSDH-UHFFFAOYSA-N 442.541 4.236 5 20 IIBD COc1cc(CNCc2cc(Br)cs2)c([N+](=O)[O-])cc1OCC(F)F 491034976 ISQXLRJHLQCZJR-UHFFFAOYSA-N 437.262 4.361 5 20 IIBD O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H](Sc1ccc(F)c(Cl)c1)c1ccccc1 492744767 HPWULASNBJMVFF-SFHVURJKSA-N 434.880 4.234 5 20 IIBD COc1ccc(NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1N1CCCCC1=O 493156498 OWDAGPKTSJDNAV-HNNXBMFYSA-N 426.473 4.311 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1 497909361 UZGWSFVVXYBUQH-UHFFFAOYSA-N 435.455 4.275 5 20 IIBD Cc1ccccc1CNc1ccccc1NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 499136833 UFLUVSUQJFRFEU-KRWDZBQOSA-N 432.480 4.272 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCOC[C@@H]1c1nc2ccccc2s1 500712450 CWPNJDRLFDKEPQ-CQSZACIVSA-N 435.408 4.020 5 20 IIBD C[C@@H](CCOCc1ccccc1)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 503546948 OZBRNFZXRITZIC-AWEZNQCLSA-N 425.407 4.408 5 20 IIBD COCCn1cc2c(n1)[C@@H](NCc1ccc(N(C)c3ccccc3)c([N+](=O)[O-])c1)CCC2 507908862 BFYDFBWFDYDGOL-NRFANRHFSA-N 435.528 4.373 5 20 IIBD O=C(CCc1nccs1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 508419499 UJTVKRLFLMQBQG-UHFFFAOYSA-N 442.566 4.057 5 20 IIBD CC(=O)c1c(C)[nH]c(C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c1C(C)C 512282859 VEMGVTQIJQYLHD-QGZVFWFLSA-N 443.500 4.370 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)cc1[N+](=O)[O-] 513836984 RUBPKUJNCFDZKH-UHFFFAOYSA-N 447.856 4.091 5 20 IIBD C[C@H](NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc(Oc2cccnc2)cc1 517257908 JWOBPSXFVAVCES-INIZCTEOSA-N 434.452 4.431 5 20 IIBD CCCOc1cc(NC(=O)C(=O)N2CC[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OCCC 518141040 CIHHXTZAJKFZMQ-SFHVURJKSA-N 441.484 4.085 5 20 IIBD COc1cc(Cc2noc(C3(Oc4ccc(Cl)cc4)CC3)n2)c([N+](=O)[O-])c(OC)c1 519791543 XEXZNLSNJVKKDN-UHFFFAOYSA-N 431.832 4.307 5 20 IIBD C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC(C)(C)O1 519954163 QCXXZAJZVBCNSB-ZDUSSCGKSA-N 431.876 4.140 5 20 IIBD CC[C@H](C)N(C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)c1ccc(C(N)=O)cc1 520164343 CCSYLSDVASNONW-KRWDZBQOSA-N 438.528 4.375 5 20 IIBD CC(C)c1ccc(OCCNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)cc1 522615291 OHIUNAYDZNONSZ-UHFFFAOYSA-N 428.876 4.408 5 20 IIBD CC[C@H](C)Sc1ccc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c(C)c1 522695766 PXKCDQKNXNIBNL-ZDUSSCGKSA-N 427.482 4.029 5 20 IIBD CCc1ccc([C@H](NC(=O)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)c2cccs2)cc1 524029926 HYHCEXORCIGZOH-QFIPXVFZSA-N 447.520 4.383 5 20 IIBD CCCCOc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cc1OC 524295786 PUVBRIZRDNIAIV-CQSZACIVSA-N 430.457 4.045 5 20 IIBD COCC[C@@H](Cc1cccc(Br)c1)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] 525472207 BQVAENYMURMJAE-INIZCTEOSA-N 435.318 4.211 5 20 IIBD O=C(c1cccc(NCc2cc([N+](=O)[O-])ccc2OC(F)F)c1)N1CCCC[C@@H]1CCO 532725522 YMWFRMLLULVZIE-GOSISDBHSA-N 449.454 4.185 5 20 IIBD NC(=O)C1CCN(CCc2ccc(NCc3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)CC1 537731979 DXVNLUZXTSUWCC-UHFFFAOYSA-N 448.523 4.207 5 20 IIBD CC(C)[C@@H]1C[C@H](NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CCO1 537931654 CAIUAYBODDYKFV-BZNIZROVSA-N 427.288 4.021 5 20 IIBD COc1ccc(CN2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)CC2)cc1F 538245938 MIQVUTKEILMOND-UHFFFAOYSA-N 447.532 4.201 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCCCc3nnc4n3CCCC4)c([N+](=O)[O-])c2)cc1 538292467 RRSYDPMRPRRZHF-UHFFFAOYSA-N 434.500 4.128 5 20 IIBD CN(Cc1ccccc1Br)C(=O)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 539248157 LVNIIDYOOPTVNB-UHFFFAOYSA-N 437.681 4.019 5 20 IIBD C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 539974462 QZNCGBNNXDOPOR-MRXNPFEDSA-N 428.452 4.071 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 541271100 HBGZFKFXERONGQ-KBXCAEBGSA-N 428.844 4.265 5 20 IIBD O=[N+]([O-])c1cccc2ncnc(NC3CCN(Cc4ccc(Br)cc4)CC3)c12 542507631 SEJIGRMGFICNKN-UHFFFAOYSA-N 442.317 4.377 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCCc1c[nH]c2ccc(Br)cc12 543356752 RMBKSTFYYQUVSF-UHFFFAOYSA-N 436.693 4.393 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(C(F)F)c1Cl 543527491 FLOKGCMIWDODMP-UHFFFAOYSA-N 432.210 4.137 5 20 IIBD CC(C)n1ncc2c(-c3nc(Cc4ccc([N+](=O)[O-])cn4)no3)cc(-c3ccco3)nc21 545787378 YNCAWLZUQGIZCD-UHFFFAOYSA-N 431.412 4.216 5 20 IIBD O=C1C[C@@H](c2noc(-c3csc(-c4ccc([N+](=O)[O-])cc4)n3)n2)CN1Cc1ccccc1 547247722 CISIUZBCVUKDCH-MRXNPFEDSA-N 447.476 4.284 5 20 IIBD O=C(CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)Nc1cc(Cl)ccc1Cl 549051436 NGQJQFAUAKGMEB-UHFFFAOYSA-N 436.173 4.289 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2ccc3c(Cl)cccc3n2)cc1[N+](=O)[O-] 552733235 JXEBJUSUGPDXQE-UHFFFAOYSA-N 440.872 4.328 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(C)cc1Sc1nnc(COc2ccc(Cl)cc2)n1C 553242019 FFDNCNMMWXRISI-UHFFFAOYSA-N 448.888 4.202 5 20 IIBD COc1cc(Cc2noc(-c3cc(C)n(-c4c(F)cccc4F)n3)n2)ccc1[N+](=O)[O-] 558355760 ZYWHSAQJGDLGFA-UHFFFAOYSA-N 427.367 4.017 5 20 IIBD CSc1ccc([C@H](CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])N(C)C)cc1 561727703 DFYKEDOLJLIJGV-FQEVSTJZSA-N 436.537 4.411 5 20 IIBD CC[C@@H](CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)OC 562231174 JYTJYZSITXKBDW-MAUKXSAKSA-N 436.306 4.052 5 20 IIBD O=C(NCc1cnc2n1CCCC2)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 564107912 PZSUEXCJELPEGD-UHFFFAOYSA-N 439.903 4.323 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)C1(CO)CCC1 568918513 FVKHZISLJJNXNF-HRAATJIYSA-N 426.517 4.080 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N(C(C)=O)C2CC2)cc1 570595670 RWJRJUOBSHFWMK-UHFFFAOYSA-N 429.498 4.101 5 20 IIBD O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCC(OC[C@@H]2CCOC2)CC1 573055539 NJGQNLKEBUZWGE-QGZVFWFLSA-N 442.537 4.404 5 20 IIBD COc1cc(C(=O)NC[C@@H]2CCOC[C@@H]2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 579505469 GZKKCLIIYZRWIB-ZFWWWQNUSA-N 434.876 4.452 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNc3cccc(S(=O)(=O)NC4CC4)c3)s2)cc1 580927539 LEWXOUFBCUZQKL-UHFFFAOYSA-N 429.523 4.376 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 586825730 AWAIAPVZMMXKPJ-YOEHRIQHSA-N 449.429 4.138 5 20 IIBD CC(C)[C@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCc2ccccc2C1 603872943 IEXHZEUSHADIDE-DEOSSOPVSA-N 436.556 4.008 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(Cl)cc1NC(=O)c1ccco1 604007829 KVVDQAABEIOKMF-UHFFFAOYSA-N 444.831 4.153 5 20 IIBD COc1ccc(CNC(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)cc1[N+](=O)[O-] 604084745 HEBSTQUIGXHFMM-UHFFFAOYSA-N 445.369 4.342 5 20 IIBD COCCOc1ccc(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1Cl 604199077 FYCLQQICEQIWLU-UHFFFAOYSA-N 446.790 4.136 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(c3nc(C4CC4)nc4sc5c(c34)CCCC5)CC2)cn1 604508542 UNJPAXYVMLWCEA-UHFFFAOYSA-N 436.541 4.077 5 20 IIBD COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1Nc1ccccc1 608954229 MWRHGZMFPGOVFS-UHFFFAOYSA-N 445.428 4.065 5 20 IIBD COC(=O)c1sc2ccccc2c1CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 609119661 JSKOZLIFPCCYIR-GFCCVEGCSA-N 430.507 4.393 5 20 IIBD Cc1cccc([C@H]2CCCN2S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 609418419 GVOYIZHEUFGCSH-QGZVFWFLSA-N 425.304 4.192 5 20 IIBD O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 609654156 NMZGYEAFDJIWIL-JGCGQSQUSA-N 446.488 4.341 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(N[C@@H](C)c2ncc(-c3ccccc3)o2)c([N+](=O)[O-])c1 610077517 UXGZBWXTCCUECM-HNNXBMFYSA-N 444.513 4.453 5 20 IIBD CCOc1ccc(NC(=O)CSc2cc(Br)ccc2OC)c([N+](=O)[O-])c1 610167471 BXWQZVRYFNQBCF-UHFFFAOYSA-N 441.303 4.495 5 20 IIBD CCOc1cc(NC(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)c([N+](=O)[O-])cc1OCC 610318052 MCZWDYYAVZRYNV-SFHVURJKSA-N 442.516 4.130 5 20 IIBD CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 610641388 GSCONSZPRKGQSP-DYESRHJHSA-N 430.549 4.177 5 20 IIBD O=C(Nc1nc(CN2CCOCC2)cs1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611198975 ZJEWKYKARVACKQ-UHFFFAOYSA-N 448.570 4.171 5 20 IIBD Cn1cc(CN2CCC(c3nc(-c4ccccc4)no3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 611269009 XGARJLWSZHXCSC-UHFFFAOYSA-N 444.495 4.425 5 20 IIBD O=C(CC1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1)NC1CCCC1 613179794 BFYBGBFUOAVERW-UHFFFAOYSA-N 438.528 4.234 5 20 IIBD CC(=O)Nc1cccc2c1CCN(C(=O)c1cc(OCc3ccccc3)ccc1[N+](=O)[O-])C2 618809329 FVCZZFJVVMRKJY-UHFFFAOYSA-N 445.475 4.331 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)OCc1csc(-c2ccc3c(c2)OCO3)n1 726639955 DPDUDMUQCCAKOB-UHFFFAOYSA-N 437.433 4.145 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)c2ccc(OC(F)F)cc2)cc1SC 728650166 DNCOFLDPQSBVGO-JTQLQIEISA-N 441.408 4.355 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccnc1-n1cnc2ccccc21 729279292 SAPUILRBQMIUOA-HNNXBMFYSA-N 433.493 4.126 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)C1CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 730267596 QBANPQYCPWRXTB-LSDHHAIUSA-N 445.520 4.331 5 20 IIBD CS(=O)(=O)c1cc(C(=O)O[C@@H](c2cccc(Cl)c2)C(F)(F)F)cc([N+](=O)[O-])c1 730418691 SHCHYZIAHDFPLO-AWEZNQCLSA-N 437.779 4.112 5 20 IIBD COc1ccccc1C[C@@H](C)CC(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 730654797 LLGPADGEHWJDCB-ZIAGYGMSSA-N 434.876 4.396 5 20 IIBD CC1=C(C(=O)N(C)C)[C@H](c2cc([N+](=O)[O-])c(F)cc2F)NC(=O)N1c1ccc(C)cc1C 731431778 OAWIQEFTXWYPFG-FQEVSTJZSA-N 444.438 4.123 5 20 IIBD CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2[N+](=O)[O-])NC(=O)N1CCc1cccs1 731852088 KWJSORWIKABPSI-IBGZPJMESA-N 429.498 4.191 5 20 IIBD O=C(OCc1ccc(OCc2ccncc2)cc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 733442936 ATEJFQYMFAFETE-UHFFFAOYSA-N 430.420 4.112 5 20 IIBD O=[N+]([O-])c1ccc(NC(=S)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)cc1 733907047 RXXNUXPQWHCAES-CYBMUJFWSA-N 426.420 4.059 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@H](c1ccccc1)C1CCOCC1 734484593 ANKVFWYRKQPAFU-GOSISDBHSA-N 426.441 4.171 5 20 IIBD Cc1ncc2c(n1)CCC[C@H]2NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 734799376 PNSGKJFYLFMLIG-JLTOFOAXSA-N 432.484 4.069 5 20 IIBD O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 735900261 DDSQBVHWAHINAQ-OAHLLOKOSA-N 427.265 4.448 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 742565990 QZBAWTWHXOAQBG-QRWLVFNGSA-N 443.500 4.122 5 20 IIBD COC(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1cccc(Cl)c1 743794951 JSZRJRBMQKIPMX-HNNXBMFYSA-N 441.665 4.045 5 20 IIBD O=C(c1cc(F)ccc1[N+](=O)[O-])N(C[C@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F 743800989 REUYGQNGXPWNPC-INIZCTEOSA-N 439.409 4.261 5 20 IIBD CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 746832840 BNMXMPYAUVTASI-AWEZNQCLSA-N 431.411 4.085 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(Cl)c(C(F)(F)F)c2)c([N+](=O)[O-])c1 747115746 HPHHGRMWANTYMG-VIFPVBQESA-N 446.765 4.460 5 20 IIBD O=C(Nc1ccc(=O)n(Cc2ccccc2)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 747646978 WFZUVCCSBNFGSO-UHFFFAOYSA-N 432.461 4.181 5 20 IIBD COc1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1OCC(F)(F)F 748617921 OKXQXAVBNWRDSQ-UHFFFAOYSA-N 443.334 4.322 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Nc1ccc(N2CCc3sccc3C2)cc1 748691998 CZPRYISJJJGYPJ-UHFFFAOYSA-N 433.486 4.159 5 20 IIBD CN(C(=O)COC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 752201865 QGVCJOKLQTXTBO-UHFFFAOYSA-N 449.341 4.088 5 20 IIBD Cc1cc(F)cc(C(=O)OCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)c1[N+](=O)[O-] 752557079 FNVUVCYWLLAZIU-IBGZPJMESA-N 446.431 4.306 5 20 IIBD Cc1ccc(CSCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1 754629173 IDUBNOWAICTDSY-UHFFFAOYSA-N 427.295 4.468 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N(Cc1ccccc1)Cc1cc[nH]n1 755027871 CTKPBCYOLWEUAB-UHFFFAOYSA-N 430.262 4.315 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C1CCN(c2nc3ccccc3o2)CC1 755371507 WPMREYHDHSNXRL-UHFFFAOYSA-N 445.273 4.354 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N(Cc1ccccc1)CC1(O)CCCC1 760849260 BDXHJTHRAAMXHY-UHFFFAOYSA-N 433.302 4.305 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(C[C@H](C)C(=O)O)cc2)CC1 762157469 JWNQRYHJPTVRFX-INIZCTEOSA-N 425.485 4.347 5 20 IIBD COc1ccc(OC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])c(Br)c1 763658411 XXLNJZWOADHPPJ-UHFFFAOYSA-N 428.260 4.316 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccccc2CN(C)C(=O)OC(C)(C)C)c1C 764525615 WJUDLNHPNMUDKU-UHFFFAOYSA-N 449.529 4.379 5 20 IIBD COc1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(I)c1 765017862 ATEDPWBGFTXZIP-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD CC(=O)[C@@H](Cc1c(F)cccc1F)OC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 768642342 DWDPGUBGTBTRAT-ADLMAVQZSA-N 427.787 4.037 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)OCc1csc(-c2ccc(C(N)=O)cc2)n1 769889876 SWEOVUDTRRRUJH-UHFFFAOYSA-N 425.466 4.099 5 20 IIBD Cc1nn(Cc2ccc(C(=O)OCC(C)(C)C3OCC(C)(C)CO3)cc2)c(C)c1[N+](=O)[O-] 770789409 RIPAJEUZDRXRIL-UHFFFAOYSA-N 445.516 4.039 5 20 IIBD Cc1ccc(-c2noc(-c3ccn(-c4c(Cl)cc([N+](=O)[O-])cc4Cl)n3)n2)c(O)n1 771141498 MHGDIHBHYIMYNQ-UHFFFAOYSA-N 433.211 4.213 5 20 IIBD CCOc1cc(N2CCC(OC(=O)Cc3cccc4cccnc34)CC2)ccc1[N+](=O)[O-] 772669254 FBDANMJOPMRKCB-UHFFFAOYSA-N 435.480 4.296 5 20 IIBD C[C@@H](CNC(=O)OC(C)(C)C)CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] 774670098 JWGGJNQAHOYISB-SECBINFHSA-N 428.358 4.217 5 20 IIBD CC[C@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 776579704 OEUSLUYTBKMFJH-IFXJQAMLSA-N 439.434 4.386 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](CNC(=O)OC(C)(C)C)C1 777378121 PPGZMVBLASZWGK-OAHLLOKOSA-N 437.562 4.474 5 20 IIBD O=C(N1CCCC[C@@H]1c1nc(-c2ccccc2)no1)C(F)(F)c1ccc([N+](=O)[O-])cc1 777981557 KDVXUWIKKHEZOY-QGZVFWFLSA-N 428.395 4.490 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc(C(=O)c3cccc(O)c3)cc2)cccc1[N+](=O)[O-] 781224665 TVGHMCGVQNIEDE-OAHLLOKOSA-N 448.431 4.024 5 20 IIBD COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)O[C@H](C)c1ccccc1[N+](=O)[O-] 783699900 XBYJNWMENPLIKH-AUUYWEPGSA-N 430.457 4.474 5 20 IIBD C[C@@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 784810385 CZCNAHZMPBZLLU-ZCFIWIBFSA-N 431.364 4.240 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)OCCCc2ccccc2Cl)cc1[N+](=O)[O-] 784985566 UKZZUISKIKKFMS-UHFFFAOYSA-N 432.889 4.318 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(-c2ccccn2)nc2ccccc12 785442244 PRKKXLBWIMPZPX-UHFFFAOYSA-N 442.431 4.309 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Oc2ccc(NC(=O)c3cccs3)cc2)c1[N+](=O)[O-] 790819970 ODGMCKUFAJRVGW-UHFFFAOYSA-N 432.479 4.293 5 20 IIBD COc1c(C(=O)O[C@H](C)C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cccc1[N+](=O)[O-] 796309310 LGJQDEWHZPQFPT-CYBMUJFWSA-N 428.441 4.016 5 20 IIBD O=C(CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)NC[C@@H](CO)[C@@H]1CCOC1 796445164 KHWPKJMWXRWHPK-RTWAWAEBSA-N 429.516 4.308 5 20 IIBD O=C(OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)s1 796999725 JDIOXWKMZMQUHZ-NSHDSACASA-N 428.388 4.137 5 20 IIBD COc1ccc(CSCC(=O)Oc2ccc3c(c2)C(=O)CC(C)(C)O3)cc1[N+](=O)[O-] 797171829 DQWHEVCKUNHJRS-UHFFFAOYSA-N 431.466 4.186 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCc1nc2ccc(Br)cc2o1 803092535 WQYHQLUFXVUWLF-UHFFFAOYSA-N 430.214 4.266 5 20 IIBD COc1ccc2cc(C(=O)N3CCc4c(Br)ccc([N+](=O)[O-])c4C3)[nH]c2c1 803545981 USUACCXIDXBILK-UHFFFAOYSA-N 430.258 4.046 5 20 IIBD C[C@H](OC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])c1ncc(C(C)(C)C)o1 803723907 QWWGBCNKTYTVDV-NSHDSACASA-N 440.294 4.383 5 20 IIBD COc1cc(N2CCC(OC(=O)c3ccc(CN4CCCC4)cc3)CC2)ccc1[N+](=O)[O-] 805885779 KWFGUPRNQWLPSJ-UHFFFAOYSA-N 439.512 4.025 5 20 IIBD O=C(O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)c1cccc(-c2noc(C(F)(F)F)n2)c1 805923020 CBFOWLBKXIQSLP-INIZCTEOSA-N 448.357 4.099 5 20 IIBD CC(C)(CC(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)NC(=O)OC(C)(C)C 811218772 KPBJDBROHBFTNO-UHFFFAOYSA-N 435.502 4.455 5 20 IIBD COc1ccc([C@@H](O)C2CCN(C(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)CC2)cc1 812642079 UGEXFPYOSPUUNB-YCRPNKLZSA-N 430.526 4.056 5 20 IIBD C[C@H](c1ccc(F)cc1)N1CCC[C@@H](OC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1=O 816400329 DIAFTRIVIRSAJV-BFUOFWGJSA-N 425.416 4.124 5 20 IIBD C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CCN1C(=O)OC(C)(C)C 816507723 POMOETSMLLKCGG-VXGBXAGGSA-N 431.411 4.131 5 20 IIBD O=C(Nc1cccc(S(=O)(=O)C2CCCCC2)c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 817477285 CLSIMGXLTNBFKQ-UHFFFAOYSA-N 438.452 4.432 5 20 IIBD Cc1nc(C)c(-c2nnc(S[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)o2)s1 864096450 HGQFMVAQFIDVRU-QMMMGPOBSA-N 439.906 4.491 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1cc(C2CC2)nn1-c1ccccc1 898045833 USZQLLJANYJWPU-UHFFFAOYSA-N 440.843 4.107 5 20 IIBD C[C@H](OC(=O)c1ccc(OCC(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 914986737 FSJXGGZTGIYTHA-JTQLQIEISA-N 446.765 4.373 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)ccc1F 918235679 SNEGOGJMXRJADR-OKILXGFUSA-N 429.448 4.255 5 20 IIBD Cc1c(C(=O)O[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc([N+](=O)[O-])cc1[N+](=O)[O-] 919223516 FOANVOOVPNMNFZ-SNVBAGLBSA-N 441.318 4.014 5 20 IIBD C[C@H](OC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1 920778752 VJQQEFNZQMQAKX-QWRGUYRKSA-N 427.240 4.239 5 20 IIBD CC(C)CN(Cc1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1)C(=O)OC(C)(C)C 1320332346 GBDUKEJVTXCMCU-UHFFFAOYSA-N 429.477 4.443 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1 1323544981 HOEXHFLQJRTOKH-UHFFFAOYSA-N 435.509 4.313 5 20 IIBD CCOc1cc(-c2nnc(-c3cc4c(c([N+](=O)[O-])c3)OCO4)o2)cc(OCC)c1OCC 1329255844 CPEMDVCZFCZLRK-UHFFFAOYSA-N 443.412 4.237 5 20 IIBD CCOc1ccc(Oc2cc(CNC(=O)N3Cc4ccc([N+](=O)[O-])cc4C3)ccn2)cc1 1339724921 DPYCWCLNCALLCS-UHFFFAOYSA-N 434.452 4.406 5 20 IIBD CCCn1nc(-c2nnc(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)o2)c2ccccc2c1=O 1345603025 RSFLTFJGACCNDN-UHFFFAOYSA-N 446.467 4.032 5 20 IIBD CCc1cc(OCC(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)ccc1Cl 1516674789 GQPVRJKMYRGPFS-UHFFFAOYSA-N 433.892 4.044 5 20 IIBD C/C=C(/C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CSc2ccccc2[N+](=O)[O-])n[nH]1 1822313253 MNXAGWZAHQUGKC-AUBBPRACSA-N 443.529 4.069 5 20 IIBD CCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 1831389798 FATNYWBVLGNPCJ-LJQANCHMSA-N 445.560 4.273 5 20 IIBD CSc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 10733909 AXAVVRUJOHGNNM-AWEZNQCLSA-N 429.498 4.101 5 20 IIBD O=C(COC(=O)Cc1c(F)cccc1Cl)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 11028577 ZVOXCTHUMAWVDR-UHFFFAOYSA-N 434.729 4.131 5 20 IIBD CC(C)c1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 15516629 ALDGSVDLQZYUIO-GFCCVEGCSA-N 446.920 4.467 5 20 IIBD Cc1ccc(C)c(NC(=O)[C@H](C)OC(=O)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 16822982 PXNRZOXYAJSMQH-ZDUSSCGKSA-N 439.390 4.213 5 20 IIBD C[C@H](OC(=O)c1ccc(F)cc1Br)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 17837343 GDDWVYAPGWIETQ-VIFPVBQESA-N 436.193 4.464 5 20 IIBD COc1ccc(NC(=O)CN(Cc2cccs2)Cc2ccccc2OC)c([N+](=O)[O-])c1 23992771 LRLQPNNYCOSELM-UHFFFAOYSA-N 441.509 4.314 5 20 IIBD Cc1c(NC(=O)Cc2ccccc2[N+](=O)[O-])cccc1C(=O)N1CCc2sccc2C1 26045269 HUHMSCSFXNCXKB-UHFFFAOYSA-N 435.505 4.344 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)Cn1c(COc2ccccc2)nc2ccccc21 28619101 VZLJYKPVZKGBPY-UHFFFAOYSA-N 447.447 4.276 5 20 IIBD Cc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)n1-c1ccccc1 28827450 ISUTWCZRJDQKNR-UHFFFAOYSA-N 437.403 4.234 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2C)ccc1C 32517273 FORRYWNCCQLZLW-MRXNPFEDSA-N 431.514 4.027 5 20 IIBD CCOC(=O)c1cnn(-c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)c1C(F)(F)F 36764311 QWTJDMRSZQLPLO-UHFFFAOYSA-N 448.357 4.228 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1 36795970 MJHGQMBYDBJCHS-UHFFFAOYSA-N 438.509 4.459 5 20 IIBD O=C(NCc1sccc1Br)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 58767251 PKNQNACVEBJGFS-UHFFFAOYSA-N 439.209 4.290 5 20 IIBD CCOc1ccc(N2C(=O)c3ccc(C(=O)Nc4cc([N+](=O)[O-])ccc4C)cc3C2=O)cc1 60515581 XZZOPKCRPPONES-UHFFFAOYSA-N 445.431 4.355 5 20 IIBD CC[C@H](C(=O)N1CCC(Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1)c1ccccc1 301139669 GTRMQZKYBYPNGA-IBGZPJMESA-N 436.512 4.076 5 20 IIBD Cn1ccnc1C(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2Br)c([N+](=O)[O-])c1 301385863 VVBOSODHXAKTOM-UHFFFAOYSA-N 447.201 4.022 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@@H](c2ccccc2)C2CCC2)cc(Br)cc1[N+](=O)[O-] 430317495 RITDANKTQXJMHD-SFHVURJKSA-N 446.301 4.262 5 20 IIBD C[C@@H]1CCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC[S@@]1=O 430346918 YYGXETXKVUDQNK-QYSRSOONSA-N 438.958 4.383 5 20 IIBD CC[C@@H](NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C(=O)O 431651329 ZWXDPPMEOMTAAT-WSYSLRRZSA-N 425.466 4.115 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)C(F)(F)F 434643982 DRDTZMPMAXWTAN-GOSISDBHSA-N 433.390 4.013 5 20 IIBD O=C(NCc1cccc(CN2CCCC2)c1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436104614 VTOLZSSSFDDZKU-UHFFFAOYSA-N 447.485 4.485 5 20 IIBD CO[C@@H](C)c1nc(CNC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cs1 438989384 ZANUXDHALLJLRU-ZNMIVQPWSA-N 432.546 4.171 5 20 IIBD CCOc1cc(NC(=O)N2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)c([N+](=O)[O-])cc1OCC 439346781 NSSGSILAKJWWOY-MFWIUYSUSA-N 435.521 4.186 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cc1 444803916 QMDSNFHUCNECHQ-OAHLLOKOSA-N 440.802 4.054 5 20 IIBD CCN(Cc1cccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])c1)C(C)=O 444854703 HFUWSFRWXMIERB-UHFFFAOYSA-N 426.292 4.040 5 20 IIBD O=C(CCCc1csc2ccccc12)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 445852883 ZNVARDSXOHWJQK-UHFFFAOYSA-N 443.550 4.178 5 20 IIBD O=C(Nc1ccccc1CN1CCSCC1)c1sc(Br)cc1[N+](=O)[O-] 446020655 PBFWYWHLKFYJJI-UHFFFAOYSA-N 442.360 4.220 5 20 IIBD CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 446440303 FDEJHTATHWJUSF-DEOSSOPVSA-N 442.462 4.011 5 20 IIBD O=C(N[C@H]1CCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1)c1cc2ccccc2o1 446631082 JKXONVNYHXDOAO-AWEZNQCLSA-N 427.844 4.029 5 20 IIBD Cc1c(C(F)(F)F)nn(C)c1NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 461201820 ZMAKIJRUFCKDOF-GFCCVEGCSA-N 448.405 4.476 5 20 IIBD Cn1c(COc2ccccc2)nnc1Sc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 462488716 IORNJRVLNHDCKK-UHFFFAOYSA-N 449.492 4.428 5 20 IIBD COc1cc(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)c([N+](=O)[O-])cc1OC 462645439 VCRSMLXXDVGFNP-MQMHXKEQSA-N 435.274 4.051 5 20 IIBD COc1ccc([C@H](NC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c2ccc(C)cc2)cc1 464027642 IFHYERVCYQZMDA-HSZRJFAPSA-N 447.491 4.373 5 20 IIBD Cc1nc(NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)sc1Cc1ccc(F)cc1 465026419 BSZHOMRDMWVGEL-UHFFFAOYSA-N 443.456 4.042 5 20 IIBD CCOc1ccccc1CN(CCCn1ccnc1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 470121859 QVBLHTDRWRTYFN-UHFFFAOYSA-N 441.463 4.454 5 20 IIBD COc1ccc2c(c1)CN(C(=O)CCn1cc([N+](=O)[O-])nc1C)[C@@H](C1CCCCC1)C2 470182609 MFAZXAXXTAWOKQ-OAQYLSRUSA-N 426.517 4.032 5 20 IIBD O=C(CCC[S@](=O)c1ccc(Br)cc1)Nc1cc(F)cc([N+](=O)[O-])c1 470696983 KKLHFTRPXPDLAU-VWLOTQADSA-N 429.267 4.023 5 20 IIBD CCc1c(C)sc2nc(Sc3cc(C)c([N+](=O)[O-])cn3)n(C[C@@H]3CCCO3)c(=O)c12 470865379 GTEOMQBEKYJICA-ZDUSSCGKSA-N 446.554 4.271 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NC(C)(C)c3nc4ccccc4n3C)cc2)c(C)c1[N+](=O)[O-] 472033202 XJYKREXHVGOGMZ-UHFFFAOYSA-N 446.511 4.008 5 20 IIBD O=C(Nc1ccc(Cl)cc1-n1cccn1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 472680205 XXLKUNDPWKSMDC-UHFFFAOYSA-N 425.876 4.289 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCOc3ccc(C(F)(F)F)cc32)cc1SC 472893417 BVDCFGQIJJBGNH-UHFFFAOYSA-N 428.388 4.383 5 20 IIBD O=C1CCC[C@H]1[C@@H]1COCCN1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 475127404 FCVUJIOJKHXBFR-GOTSBHOMSA-N 446.507 4.018 5 20 IIBD COc1ccc(CN[C@@H](CO)c2ccc(Br)cc2C(F)(F)F)cc1[N+](=O)[O-] 475627277 SSDWCQUPNYXHRX-AWEZNQCLSA-N 449.223 4.208 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(NC(=O)c3ccncc3)c2)cc1SC 482704122 HSFDOFOVSRECDO-UHFFFAOYSA-N 438.465 4.225 5 20 IIBD COc1ccc(C(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)cc1[N+](=O)[O-] 483059188 LFQQCDDOZUJJFK-UHFFFAOYSA-N 432.498 4.103 5 20 IIBD O=C(c1coc(-c2ccc(Br)cc2F)n1)N1CCc2ccc([N+](=O)[O-])cc21 484859142 AOUORNVFSRNSQZ-UHFFFAOYSA-N 432.205 4.354 5 20 IIBD CCn1c(SCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)nnc1-c1cccs1 486107895 RUVRADOFBAFPGZ-UHFFFAOYSA-N 443.554 4.218 5 20 IIBD CSc1cccc(C(=O)Nc2nc3ccccc3n2CCCn2ccnc2)c1[N+](=O)[O-] 486233717 QNIJNSBWMCUQIG-UHFFFAOYSA-N 436.497 4.206 5 20 IIBD Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1C 488117271 HVLOFRCSGVPPDO-KRWDZBQOSA-N 425.466 4.112 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N(CCCO)Cc2ccccc2)cc1[N+](=O)[O-])c1ccccn1 488262341 KIRLZLKLTAZYGU-GOSISDBHSA-N 434.496 4.188 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccnn1[C@H](C)c1cc(Cl)ccc1Cl 488705295 WBIMIXVNYOSCIZ-LLVKDONJSA-N 437.287 4.241 5 20 IIBD C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 488755126 WRZSGYPCCKIRKV-KRWDZBQOSA-N 435.484 4.248 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(-c2ccccc2F)c1C 489171536 OQRFCHPBXPUBJC-UHFFFAOYSA-N 430.461 4.219 5 20 IIBD Cc1ccnc(-n2nc(C)cc2NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 489330092 OWDLCPPVBNDLAY-UHFFFAOYSA-N 434.378 4.133 5 20 IIBD COc1ccc(-n2c(SCCOc3ccccc3[N+](=O)[O-])nnc2-c2ccccn2)cc1 489643873 VDCYCGDQUHYNJB-UHFFFAOYSA-N 449.492 4.417 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)Nc1ccc2nccnc2c1Br 490772396 RPQGMOLQKZQUJW-UHFFFAOYSA-N 444.289 4.445 5 20 IIBD CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] 491053702 UOILZQLSFMQDDI-KRWDZBQOSA-N 446.345 4.342 5 20 IIBD COc1ccc(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])cc1Oc1ccc(C)nn1 498322972 ONZHBUUXNVHLAG-UHFFFAOYSA-N 426.454 4.468 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N(Cc1cccc(F)c1)C[C@@H]1CCCO1 498495086 KBKKREAWDDKYEU-IBGZPJMESA-N 435.883 4.321 5 20 IIBD COc1ccc(NC(=O)c2cccc(NC(=O)c3cc(SC)ccc3[N+](=O)[O-])c2)cn1 499870564 MMBXYEJEDWIZFY-UHFFFAOYSA-N 438.465 4.225 5 20 IIBD Cc1c(NC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cnn1CC(C)C 499968821 RKWAQQJUUGEAPK-UHFFFAOYSA-N 428.415 4.008 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCOC[C@H]1c1nc2ccccc2s1 500672425 ZGSQVMTXKNERGM-HNNXBMFYSA-N 437.399 4.437 5 20 IIBD COc1cc(CNc2ccc(C(=O)N3CCCC3)cc2)c([N+](=O)[O-])cc1OCC(F)F 502588287 XPEBRTJBWYHFBM-UHFFFAOYSA-N 435.427 4.095 5 20 IIBD CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl 503460270 JTAOTEWWOWMIGO-IBGZPJMESA-N 431.920 4.009 5 20 IIBD C[C@@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)[C@H](c1ccccc1)N(C)C 505590619 IERHHYVVPBSEIW-QKFKETGDSA-N 435.474 4.381 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCC[C@H](Cn4ccnn4)C3)cc2[N+](=O)[O-])cc1 505791310 WRICTXJGVSMMPW-KRWDZBQOSA-N 437.525 4.198 5 20 IIBD COc1ccc2cc(CN(C)C(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)ccc2c1 506029274 BLFHESRNWXIGBL-UHFFFAOYSA-N 430.464 4.429 5 20 IIBD C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(-n2cccn2)c(F)c1 508848927 QCSKWVVYRUZMRJ-NSHDSACASA-N 433.237 4.173 5 20 IIBD Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 509095711 OYMUANRZTIHQFZ-UHFFFAOYSA-N 440.500 4.052 5 20 IIBD CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1 510024021 PHAHPYKQNLBBLG-LLVKDONJSA-N 434.290 4.446 5 20 IIBD Cc1c(Br)cc(C(=O)N[C@H](C)c2nc(Cc3ccccc3)no2)cc1[N+](=O)[O-] 510456181 IOHODDJGTUFPHM-GFCCVEGCSA-N 445.273 4.131 5 20 IIBD Cc1ccccc1[C@@H]([C@H](C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)N(C)C 510527924 ZDOIBCRABGYYBL-AFMDSPMNSA-N 427.548 4.271 5 20 IIBD Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N(C)C 510534019 BEHOULGDKKKLAC-KUHUBIRLSA-N 439.434 4.266 5 20 IIBD Cc1c(NC(=O)CCN[C@H](CCO)c2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] 512214706 SSCTXIYZXVGZDF-QGZVFWFLSA-N 426.300 4.252 5 20 IIBD O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC(c3nc(-c4ccccn4)no3)CC2)c1 512527464 SKMDQAYWJSVERD-UHFFFAOYSA-N 431.399 4.021 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)C2(CCC2)C1 512707726 JMOSUDDSZHOHJU-NSHDSACASA-N 428.270 4.160 5 20 IIBD CCn1c(SCc2ccc(S(=O)(=O)C(C)C)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 513641350 ZGPJETUCXLFQRJ-UHFFFAOYSA-N 446.554 4.348 5 20 IIBD O=C(c1ccc(S(=O)(=O)c2ccccc2)s1)N1CCCc2c1cccc2[N+](=O)[O-] 513832753 OWROKKRALRSWCY-UHFFFAOYSA-N 428.491 4.082 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(NC(=O)Nc2cccc(C)c2)c1 515933599 SHLOLEGNDPEFDQ-UHFFFAOYSA-N 434.452 4.486 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1NCc1ccc(F)c(F)c1 516816013 QDVPEPUWIZWKRP-UHFFFAOYSA-N 425.457 4.050 5 20 IIBD CC(C)Sc1ccc(Cl)cc1NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 517924070 QPHZWAGVZMRKFT-UHFFFAOYSA-N 444.918 4.321 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 518389106 DDLKBAXJTOZWOT-ZDUSSCGKSA-N 449.305 4.014 5 20 IIBD CCCOc1cc(NC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)c([N+](=O)[O-])cc1OCCC 518691380 FLAQVUAKCUGWFZ-MRXNPFEDSA-N 449.548 4.396 5 20 IIBD Cn1c([C@H]2CCCCN2S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])nc2ccccc21 521044292 QAYIAHBEAFCZPB-QGZVFWFLSA-N 434.905 4.051 5 20 IIBD COc1cc(CCNC(=O)C[C@@H](C)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC 523128363 RRFPXHHDCDYVNH-CYBMUJFWSA-N 440.418 4.483 5 20 IIBD O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)NCCCCc1ccc([N+](=O)[O-])cc1 523532270 AGNGODKYFHMZPG-GOSISDBHSA-N 433.917 4.190 5 20 IIBD C[C@H]1CN(Cc2ccccc2NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 523558276 YVTYPGHAAOFVFW-OALUTQOASA-N 440.544 4.348 5 20 IIBD CCOC(=O)CCc1ccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 524254230 XWKKECIUVUIHOJ-UHFFFAOYSA-N 425.466 4.466 5 20 IIBD CC(C)n1c([C@@H]2CCCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)C2)nc2ccccc21 524407100 PRXZMGFXCKBYQI-OAHLLOKOSA-N 436.468 4.274 5 20 IIBD COC(=O)C[C@@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccc(SC)cc1 524461112 JOYUUJKJANXMOZ-FZKQIMNGSA-N 434.539 4.218 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc1[N+](=O)[O-] 533917195 GEAVDZDDYOODQS-AUUYWEPGSA-N 435.427 4.349 5 20 IIBD Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 535652259 VKFIFCSGKKVARV-MRXNPFEDSA-N 449.511 4.202 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCC[C@@H]2Cn2cnc3ccccc32)cc1[N+](=O)[O-] 535951782 KPKWBGVPDALGLD-OAHLLOKOSA-N 443.301 4.320 5 20 IIBD O=C(NCC1(c2ccc(F)cc2F)CC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 536400007 JRUITZWQYGBAFY-UHFFFAOYSA-N 431.439 4.158 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@H]3CCO[C@@H]3c3ccc(F)c(F)c3)cc2[N+](=O)[O-])CC1 537237683 NCQBMAAMMNBLDQ-SIKLNZKXSA-N 445.466 4.369 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1OC 538052652 UQCXKXDCKZKXKF-KXBFYZLASA-N 438.839 4.055 5 20 IIBD O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 539154334 XNUWUKZPWCQJCC-RXVVDRJESA-N 447.894 4.250 5 20 IIBD COc1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c(OC)c1OC 539293210 VYNJUKCVDXSWDS-UHFFFAOYSA-N 434.514 4.094 5 20 IIBD CN(CCc1cccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1)C1CC1 539332705 RYYAGVZCWKPCOQ-UHFFFAOYSA-N 425.532 4.430 5 20 IIBD Cc1ccc(C(=O)NC2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)CC2)s1 540390405 FYEBBDOMPFYRAM-UHFFFAOYSA-N 447.582 4.500 5 20 IIBD CCc1ccc([C@H](NCC(=O)Nc2ccc(F)c(F)c2F)c2ccc([N+](=O)[O-])cc2)o1 541546139 RBMIXYZBHLBFEV-OAQYLSRUSA-N 433.386 4.485 5 20 IIBD COc1cccc([C@H]2C[C@H](C)CN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 542242235 VDMKMJFWRCKUGF-YVEFUNNKSA-N 444.431 4.394 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 542995879 JLOOBTVBNJJQPB-IBGZPJMESA-N 446.385 4.013 5 20 IIBD CCN([C@@H](c1cccnc1)c1ccc(F)cc1F)S(=O)(=O)c1cccc([N+](=O)[O-])c1 544839332 WNJWIILDKBELAF-FQEVSTJZSA-N 433.436 4.068 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3cc(Br)cc(C(F)(F)F)c3)n2)nc1 545076345 ZBCZUCHRRARNRY-UHFFFAOYSA-N 429.152 4.412 5 20 IIBD CCn1c(SCc2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)nnc1-c1cccc(C)c1 545551331 XNZQTBQSXSJOFM-UHFFFAOYSA-N 437.485 4.106 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(Cc3ccc(-n4cccn4)cc3)no2)c(Br)c1 547013287 ADERIJQJBZNBBI-UHFFFAOYSA-N 426.230 4.184 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)c1 549083668 QTHADFFPWCMMMF-UHFFFAOYSA-N 426.448 4.228 5 20 IIBD CCOc1cc(C(=O)NC(C)(C)c2ccccc2Br)c([N+](=O)[O-])cc1OC 550326642 IJIMYKPIGRCJJB-UHFFFAOYSA-N 437.290 4.430 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H](c1ccccc1)N1CCC[C@H]1CF 550410525 WFFQFLAKNRAJAA-YJBOKZPZSA-N 436.281 4.471 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1cccc(N2CCCC2=O)c1 550590194 KAKCZFVDNASLQX-CYBMUJFWSA-N 446.301 4.284 5 20 IIBD C[C@@H](CN[C@@H](c1ccc([N+](=O)[O-])cc1)c1nccn1C)Oc1ccc(Br)cc1 556873649 ZSTBVHRNEZSNHS-LIRRHRJNSA-N 445.317 4.237 5 20 IIBD Cn1ccnc1[C@@H](NCCc1cnc(SC2CCCC2)nc1)c1cccc([N+](=O)[O-])c1 559911372 KJAXYZLVGMSVSU-FQEVSTJZSA-N 438.557 4.075 5 20 IIBD NS(=O)(=O)c1cc(N[C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1 561359183 VTMHEUYVFAECHY-DLBZAZTESA-N 429.420 4.009 5 20 IIBD COCc1nc(CSCc2cc(I)cc([N+](=O)[O-])c2)cs1 569297612 VLZYZJSDIKMCFT-UHFFFAOYSA-N 436.296 4.236 5 20 IIBD O=C(CCN1CCOc2ccc([N+](=O)[O-])cc2C1)N[C@@H](c1ccccc1)c1cccs1 570088008 LMODVCLFYIJDFN-QHCPKHFHSA-N 437.521 4.147 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 576369087 HIIWHVFLUXRTMV-OAQYLSRUSA-N 433.430 4.352 5 20 IIBD CC(=O)N(c1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1)[C@H]1C[C@@H]1C 577435311 JHFHMCQLBQCUFP-GTNSWQLSSA-N 432.274 4.371 5 20 IIBD Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 583111668 IEKUDOGNLLMVMP-UHFFFAOYSA-N 431.452 4.125 5 20 IIBD Cc1cc(Sc2nnc([C@@H]3CCCNC3)n2C2CC2)c([N+](=O)[O-])cc1C(F)(F)F 590135703 JYOXBBINSXHXJX-LLVKDONJSA-N 427.452 4.467 5 20 IIBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)Nc1ccccc1Sc1ccccc1 590646426 CKAFGDWJWPRJCJ-UHFFFAOYSA-N 435.461 4.110 5 20 IIBD CCCOc1ccc([C@H](C)Nc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1OC 603861968 JSOAWMPLUWTCBR-INIZCTEOSA-N 443.500 4.038 5 20 IIBD C[C@@H]1CCCCN1Cc1ccc(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1 603895723 KTYGEXFPJOZBRS-GOSISDBHSA-N 433.512 4.085 5 20 IIBD C[C@H]1C[C@H](C)CN(C(C)(C)CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 604299645 MJIZHDBEPRAWLA-KBPBESRZSA-N 431.455 4.022 5 20 IIBD COc1ccc(CCN(Cc2ccccc2)C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 608898284 ULAFHIDFDWLNSN-UHFFFAOYSA-N 434.448 4.217 5 20 IIBD O=C(N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1cc2c(cc1[N+](=O)[O-])OCO2 609186883 XLDNFUKJFMIVRC-CQSZACIVSA-N 441.440 4.394 5 20 IIBD CCn1c(S[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)nnc1-c1ccc(Cl)cc1 609449831 MXAQBDMYIRLLND-QGZVFWFLSA-N 443.916 4.424 5 20 IIBD CSc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 609502027 OOSZXDTUZZONCP-LBPRGKRZSA-N 425.919 4.275 5 20 IIBD COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1NC(=O)C1CCCCC1 609700895 ZJMGQLYUZLQHSV-UHFFFAOYSA-N 447.513 4.231 5 20 IIBD Cc1c(C(=O)Nc2nc(/C=C\c3ccccc3)cs2)nnn1-c1cccc([N+](=O)[O-])c1 609757252 PIGFLCOSISGUOH-KHPPLWFESA-N 432.465 4.363 5 20 IIBD O=C(NCCOC1CCCCC1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 609874031 JUJWYJQAUHJXAK-UHFFFAOYSA-N 427.288 4.166 5 20 IIBD O=C(N[C@@H]1CCc2c(O)cccc21)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 609875834 FZTSFHGUQIICCJ-OAHLLOKOSA-N 433.251 4.210 5 20 IIBD CNS(=O)(=O)c1ccc(N[C@H](Cc2ccccc2)c2ccccc2F)c([N+](=O)[O-])c1 610131678 AOPUPVNLXMSMHJ-HXUWFJFHSA-N 429.473 4.038 5 20 IIBD CCN(CCOc1ccc(Br)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 610216205 ZOSCHIYALYARJC-UHFFFAOYSA-N 437.290 4.125 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 610293574 JEKIMCZULFNCFQ-UHFFFAOYSA-N 448.410 4.260 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC(F)(F)C1 610791085 STLSULPAMHPWLJ-QGZVFWFLSA-N 426.423 4.294 5 20 IIBD CCOC(=O)c1cnn(-c2ccc(C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)cc2)c1C 610962379 CYCDPAGMWPFNOI-UHFFFAOYSA-N 448.479 4.070 5 20 IIBD O=C(NC1CCN(Cc2coc(-c3ccccc3)n2)CC1)c1c[nH]c2cccc([N+](=O)[O-])c12 611195667 SELNMNAXCZYKQN-UHFFFAOYSA-N 445.479 4.126 5 20 IIBD C[C@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 611474164 YRAYMGMGVBWHOH-JTSKRJEESA-N 434.496 4.064 5 20 IIBD O=C(O)C[C@H]1CCCCN1C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 611526564 UQLOETROUVETGW-MRXNPFEDSA-N 431.876 4.330 5 20 IIBD Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 612348723 KBBRXRIOLXBSHV-UHFFFAOYSA-N 448.483 4.185 5 20 IIBD COc1ccc(CC(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)cc1[N+](=O)[O-] 728005206 JQXLMHMYHQEHCE-UHFFFAOYSA-N 437.427 4.105 5 20 IIBD COC(=O)CSCc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)c1 728498935 PDTBKEQVVKGABC-UHFFFAOYSA-N 439.287 4.016 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)C[C@@H](c1ccccc1)C(F)(F)F 728658282 UDOPPBJNERXCAO-WFASDCNBSA-N 440.374 4.210 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)c1oc2ccccc2c1CS(C)(=O)=O 729118902 GRQGIRGYKIMHNT-UHFFFAOYSA-N 447.465 4.030 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1CN1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 734835231 NYYMMOVWASYLMD-UHFFFAOYSA-N 425.272 4.128 5 20 IIBD COc1ccc(-c2nnc(SCC(=O)Oc3cc([N+](=O)[O-])c(Cl)cc3C)o2)cc1 735642646 DCOMMMGVGCFHFT-UHFFFAOYSA-N 435.845 4.313 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)OC1([C@H]2CCOC2)CC1 735910615 SRQWLUXUVHGURQ-IBGZPJMESA-N 433.464 4.102 5 20 IIBD O=C(OC[C@H]1CC1(Cl)Cl)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 736864434 UEIQTUOFCKMXCH-SSDOTTSWSA-N 425.055 4.438 5 20 IIBD CCOC(=O)c1ccnc(Nc2ccc3c(c2)CCN3C(=O)OC(C)(C)C)c1[N+](=O)[O-] 737405599 ILGVGSWDHSRTMC-UHFFFAOYSA-N 428.445 4.208 5 20 IIBD C[C@H](CC(=O)O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(C(F)(F)F)c1 738745545 UVNVXBNICLCIEO-ACJLOTCBSA-N 436.386 4.456 5 20 IIBD Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)n(-c2ccc([N+](=O)[O-])cc2)n1 739496987 MRANVMNXMHOQQT-UHFFFAOYSA-N 446.217 4.012 5 20 IIBD O=C(OCCOCCO)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2 740188506 GLXVMGHVXREFMI-SDXDJHTJSA-N 448.475 4.186 5 20 IIBD CCc1ocnc1C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 740269407 JABNQISOMVRFCU-GOSISDBHSA-N 429.816 4.335 5 20 IIBD CC[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)[C@H](CC)CN1CCc1ccc([N+](=O)[O-])cc1 740878789 YDEQYVPQLYOJHT-SZPZYZBQSA-N 440.544 4.463 5 20 IIBD O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 741439440 GMTCSZAPGXIVKO-AWEZNQCLSA-N 435.839 4.375 5 20 IIBD O=C(O[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1cc2cc([N+](=O)[O-])ccc2o1 744764572 OWCAUTMSZGTVJX-KRWDZBQOSA-N 446.362 4.295 5 20 IIBD COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 749660415 AMYDXQGDYDSDSS-DHLKQENFSA-N 434.492 4.293 5 20 IIBD C[C@@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 750400891 QAHUQCMZVOTZPO-ACJLOTCBSA-N 447.285 4.266 5 20 IIBD O=C(Nc1cccc(COC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1)c1ccccc1 750425491 FQCNDQWFNOWSBM-UHFFFAOYSA-N 442.431 4.390 5 20 IIBD CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 750834336 INVCJCUDYCJORE-CYBMUJFWSA-N 444.326 4.027 5 20 IIBD COC(=O)[C@@H](OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)c1cccc(Cl)c1 751692682 RISMAKQEMFHVNC-AWEZNQCLSA-N 446.612 4.221 5 20 IIBD C[C@@H](OC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 752202383 USGAQOSXBXZAOE-LLVKDONJSA-N 449.341 4.453 5 20 IIBD COC(=O)[C@]1(F)CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1 752673004 BYYJIIQFQZCUFO-IBGZPJMESA-N 438.864 4.127 5 20 IIBD Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)CC3 754980318 ILQPMVVGUBJCBY-UHFFFAOYSA-N 432.249 4.485 5 20 IIBD COc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 755208839 VXMZHRYXIBBUGW-AIIPKAINSA-N 432.476 4.379 5 20 IIBD Cc1ccc(OCc2nc(CC(=O)NCc3cc([N+](=O)[O-])ccc3Cl)cs2)cc1 756988864 LAZHJSQPWUDHHS-UHFFFAOYSA-N 431.901 4.451 5 20 IIBD O=C(Nc1cnc(Br)c(Br)c1)c1ccc([N+](=O)[O-])cc1Cl 757827379 YFQKKFRPOWIHPQ-UHFFFAOYSA-N 435.459 4.421 5 20 IIBD C[C@H](OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)N[C@@H](C)c1ccc(Cl)cc1 758737435 RFQHDYHYSNGBPU-STQMWFEESA-N 429.860 4.081 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cnc(Cl)c(Br)c1C 758946700 JSWXAWPIPXGUFP-UHFFFAOYSA-N 434.699 4.132 5 20 IIBD COC(=O)c1cc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc(Br)c1F 762504125 XDUQKBHIPKOVKI-UHFFFAOYSA-N 431.601 4.189 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(NC(=O)C(F)(F)F)cc1 764071536 ZKOVQROUNANBTE-UHFFFAOYSA-N 427.404 4.138 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(CNC(=O)OC(C)(C)C)c2)c1C 764523249 MCSRLLMCKBTAOD-UHFFFAOYSA-N 435.502 4.037 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc2c(cc1Br)OCCO2 764963736 SDMPMJSCAPXTRE-ZDUSSCGKSA-N 435.274 4.336 5 20 IIBD CCCN(Cn1nc(-c2ccc([N+](=O)[O-])cc2)n(CC)c1=S)[C@@H]1[C@H]2CCO[C@H]2C1(C)C 765032543 XBPPLEKEVSHBED-GUDVDZBRSA-N 445.589 4.492 5 20 IIBD CCCOC(=O)c1cc(Br)ccc1NC(=O)c1cccc(OC)c1[N+](=O)[O-] 766555744 XCBIZHYWGRIHLX-UHFFFAOYSA-N 437.246 4.185 5 20 IIBD CC(=O)[C@H](Cc1ccc(F)cc1F)OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 768649336 PZYIOJLEKLSOAT-SFHVURJKSA-N 432.404 4.354 5 20 IIBD O=C(COc1ccccc1Br)Nc1ccc(Br)c([N+](=O)[O-])c1 770330907 NVUOSVNWTSEKFG-UHFFFAOYSA-N 430.052 4.137 5 20 IIBD CC(C)CN1N=C(c2nc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)no2)CCC1=O 770875259 NMHVNZQAHZFSDC-UHFFFAOYSA-N 435.440 4.420 5 20 IIBD C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[C@@H]1NC(=O)OC(C)(C)C 771768053 ZKTOFGYSWGDZRJ-RISCZKNCSA-N 446.426 4.381 5 20 IIBD Cc1ccc(CCC(=O)OCC(=O)Nc2c(C)cccc2[N+](=O)[O-])c(Br)c1 772818878 LTCAXDJBUPHHJM-UHFFFAOYSA-N 435.274 4.089 5 20 IIBD C[C@H](CCOC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1c[nH]c2ccccc12 774572394 LEBXOKWBGCUVTG-KDOFPFPSSA-N 441.509 4.479 5 20 IIBD Cc1cc(C)n(Cc2cccc(-c3noc([C@@H]4CC(c5ccccc5[N+](=O)[O-])=NO4)n3)c2)n1 781614049 JBSKXIGTPUUOPG-NRFANRHFSA-N 444.451 4.372 5 20 IIBD CC(C)(C)OC(=O)N1Cc2ccc(CNC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])cc2C1 782780981 OQNDCADCDVDFMM-UHFFFAOYSA-N 433.411 4.054 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCCC[C@@H]1c1nc2ccccc2o1 785118195 PDUVPEQHZBAHPP-OAHLLOKOSA-N 428.832 4.082 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCCCC[C@H]1C[C@H](O)c1ccccc1 785222725 SHOFGICQZKNWLK-JXFKEZNVSA-N 445.903 4.082 5 20 IIBD Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 785398600 KODTZMFEIROCMP-UHFFFAOYSA-N 437.200 4.288 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCC(c2ncc3n2CCCC3)CC1 788570346 DSVOXIXEFVFAMF-UHFFFAOYSA-N 439.394 4.439 5 20 IIBD COC(=O)[C@H](OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 791330028 LRVJATJJIMIHDR-OAHLLOKOSA-N 443.195 4.189 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 791725042 LHPRVAOAOVXWEY-UHFFFAOYSA-N 441.484 4.174 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)cc1[N+](=O)[O-] 791869561 JAPAODGHVPJBTA-UHFFFAOYSA-N 437.796 4.375 5 20 IIBD CS(=O)(=O)c1ccc(-c2nc(COc3cc(F)c([N+](=O)[O-])cc3Cl)cs2)cc1 795263767 HNULSVQCPPHSST-UHFFFAOYSA-N 442.877 4.493 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 796390328 HWYKTOQMWNVVTM-JKSUJKDBSA-N 438.358 4.087 5 20 IIBD O=[N+]([O-])c1ccc(N2CCOC[C@@H]2C[C@H](O)c2cccs2)nc1-c1ccc(F)cc1 797436072 VRQAOAYXXCKLCA-WMZOPIPTSA-N 429.473 4.186 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 799235056 SQQZCSRZDVBQJU-HUUCEWRRSA-N 436.509 4.151 5 20 IIBD Cc1ccc(-c2cncc(F)c2)cc1NC(=O)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 802561093 RQKNZNAWEGRMIR-UHFFFAOYSA-N 442.834 4.013 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)O[C@@H](C(=O)Nc2cccc3ncccc23)C(C)C)c1F 803461534 ZCIAPVUMKQTZAQ-HXUWFJFHSA-N 425.416 4.411 5 20 IIBD Cc1ccc([C@@H](O)[C@H](C)NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cc1 804493216 NFWMZEGAHODBCS-BUXKBTBVSA-N 449.294 4.248 5 20 IIBD COc1cc(C(=O)O[C@@H](C)c2nncn2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 805361609 WRXAWGCLEWGTKA-NSHDSACASA-N 432.820 4.096 5 20 IIBD C[C@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1nccn1-c1ccccc1 805488709 VDVOKEPHUJKJCZ-ZDUSSCGKSA-N 430.258 4.390 5 20 IIBD C[C@@H](OC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])C(=O)NCc1ccccn1 805957259 GPLOFPOVWDZLIA-OAHLLOKOSA-N 437.477 4.003 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1Nc1ccc(N2CCC(OC)CC2)c(C(F)(F)F)c1 807958886 IGQZZPWDPAKBPH-UHFFFAOYSA-N 427.427 4.497 5 20 IIBD C[C@@H](CCC1CCCCC1)NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810365894 YVGZPTJTSBLFDD-LBPRGKRZSA-N 426.311 4.161 5 20 IIBD O=C(Nc1ccc(OC2CCCC2)cc1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810392277 PZEQNOABWULPQF-UHFFFAOYSA-N 448.273 4.256 5 20 IIBD Cc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1NC(=O)CCN(C)C 813170623 RJPYQAFYAGLPPD-UHFFFAOYSA-N 439.299 4.353 5 20 IIBD O=C(CCNC(=O)Nc1ccc(Br)cc1)Nc1cccc([N+](=O)[O-])c1Cl 813245133 IGLSXVWXVFGVHX-UHFFFAOYSA-N 441.669 4.161 5 20 IIBD COc1cc(/C=C/C(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)cc(OC)c1O 815216199 WSXVEYGWQUXBBQ-ZZXKWVIFSA-N 427.331 4.093 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C(=O)N[C@H](C)c1ccc(F)cc1 815512514 YPHQMWWCJSOJDT-GHMZBOCLSA-N 428.338 4.175 5 20 IIBD O=[N+]([O-])c1ccc(NCC2(c3cccc(Br)c3)CCOCC2)c2nonc12 917090636 CUTAAJKIVCNMFY-UHFFFAOYSA-N 433.262 4.054 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1[N+](=O)[O-] 919927908 DOOQHPOEZJYMFO-UHFFFAOYSA-N 427.866 4.064 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(c3nnc(-c4ccccc4)cc3C(F)(F)F)CC2)cc1 1251436279 YSMVOYZBGOHQTO-UHFFFAOYSA-N 429.402 4.397 5 20 IIBD Cc1nc(-c2ccccc2)sc1-c1nnc(CN2C(=O)COc3ccc([N+](=O)[O-])cc32)o1 1257840323 RAYVZWBRTASRKS-UHFFFAOYSA-N 449.448 4.002 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CC(Cc3ccccc3C(F)(F)F)C2)cc([N+](=O)[O-])c1 1319040697 IYSOFIQYPGLWCW-UHFFFAOYSA-N 436.386 4.105 5 20 IIBD CNC(=O)c1ccc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c(C)c1 1324035895 AWDXGGHYKANZKZ-HNNXBMFYSA-N 433.468 4.083 5 20 IIBD Cc1nc(C)c(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])o4)CCC3)cc2)s1 1787333119 NGCUPDNIKPKFOF-UHFFFAOYSA-N 440.481 4.323 5 20 IIBD Cc1[nH]ccc1C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc([N+](=O)[O-])o3)CCC2)cc1 1788804776 ZZVUVZUEQVUMFW-VQHVLOKHSA-N 434.452 4.285 5 20 IIBD O=C(CC1CCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 1801208397 CDORQGWNXWBSIF-BJWYYQGGSA-N 427.526 4.252 5 20 IIBD CC1(C(=O)N2CCC3(CCCN(C(=O)CCc4cccc([N+](=O)[O-])c4)C3)CC2)CCCC1 1806486569 OWESMQGVYPRWRY-UHFFFAOYSA-N 441.572 4.339 5 20 IIBD CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])CC2)CCC1 1823711732 NEFHQMIIYHYFGG-RQWLHQTBSA-N 439.556 4.418 5 20 IIBD CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1 1830070894 BPAZXUVBRHDWLA-FQEVSTJZSA-N 439.512 4.297 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC2(CCCN2C(=O)/C=C/c2ccccc2)C1 1842734436 RKDRNWBLRMVJNU-JXMROGBWSA-N 447.516 4.340 5 20 IIBD COc1ccc2c(C)cc3nnc(SCC(=O)Nc4cc([N+](=O)[O-])ccc4C)n3c2c1 9220353 PJOXOALBWMQJRZ-UHFFFAOYSA-N 437.481 4.147 5 20 IIBD CNc1ccc(C(=O)O[C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)cc1[N+](=O)[O-] 14047479 OFJNBKUZNGZFKI-ZDUSSCGKSA-N 432.502 4.004 5 20 IIBD C[C@@H](Sc1nnc(COc2ccc(Cl)cc2)n1C)C(=O)Nc1ccccc1[N+](=O)[O-] 22083617 OKCZSFXBWWXWOB-GFCCVEGCSA-N 447.904 4.075 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1 24915269 FCRKPBBFALGAFD-LBPRGKRZSA-N 428.495 4.423 5 20 IIBD Cc1c(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1-c1ccc(Cl)cc1 25774083 XHQNLBFOSJNBGB-UHFFFAOYSA-N 439.815 4.149 5 20 IIBD O=C(OCCCc1nc(-c2ccccc2)no1)c1ccc(Br)c([N+](=O)[O-])c1 27497527 ADISCYCRUDYSSR-UHFFFAOYSA-N 432.230 4.197 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccc(Br)cc3)cc2)c(C)c1[N+](=O)[O-] 28091449 YDGOTXSGUAZIBC-UHFFFAOYSA-N 429.274 4.471 5 20 IIBD Cc1nc(CN2CCN(C(=O)c3ccc(SCCC(C)C)c([N+](=O)[O-])c3)CC2)cs1 31258735 XZZSPHBIBBBQQR-UHFFFAOYSA-N 448.614 4.456 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)Nc1cc(Br)ccc1Br 31950228 QNRSWHYRGOWERM-UHFFFAOYSA-N 430.052 4.137 5 20 IIBD O=C(CCc1nc2ccccc2o1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 32521522 BDTKCLNGPWXHEF-UHFFFAOYSA-N 448.401 4.036 5 20 IIBD O=C(CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)NC1CCCCC1 58712516 YAOJDWVDQCCRPZ-UHFFFAOYSA-N 444.919 4.039 5 20 IIBD CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 59584208 PSLAMUVNDSHRLM-UHFFFAOYSA-N 425.464 4.191 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2ncc(C)s2)c1 63243604 WPXLRVHKYCHPAX-UHFFFAOYSA-N 446.510 4.030 5 20 IIBD O=C(Cn1ccc([N+](=O)[O-])n1)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 108281527 PQAMISGYBVFMMH-UHFFFAOYSA-N 437.456 4.287 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 301749634 OVDHJBORGGNBHD-OXJNMPFZSA-N 441.553 4.180 5 20 IIBD O=[N+]([O-])c1ccc(Sc2nc(-c3ccccc3)co2)c(S(=O)(=O)N2CCCC2)c1 302824513 LUKVIERILMCRBU-UHFFFAOYSA-N 431.495 4.186 5 20 IIBD COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(SC)c([N+](=O)[O-])c1 426305786 DHLMKHBXAOAEHY-UHFFFAOYSA-N 442.415 4.151 5 20 IIBD O=C(NCCn1cc([N+](=O)[O-])cn1)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CCC2 428717514 DTEVAVLCVNXAKN-DTQAZKPQSA-N 443.463 4.239 5 20 IIBD Cc1nc(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)sc1C 435849093 XQYCEMGHPXNBSB-UHFFFAOYSA-N 448.551 4.136 5 20 IIBD O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 436091712 PAVDODVMIVPUQF-JOCHJYFZSA-N 427.460 4.051 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H]1CCC[C@H]1c1ccc(C)cc1 439997138 HKELIOVVKYHOIG-ICSRJNTNSA-N 425.485 4.035 5 20 IIBD CC(C)c1ncc(CN(C)C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cn1 441433304 YYWGYUOEIYAZEH-IRXDYDNUSA-N 425.533 4.263 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](c2c[nH]c3ccccc23)C(F)(F)F)cc1C 443452748 IPMUSEOUPCJRAY-KRWDZBQOSA-N 427.404 4.275 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCN(c4ncc(C)s4)CC3)c([N+](=O)[O-])c2)cc1 444083650 LBRBDAJUUHLQOQ-UHFFFAOYSA-N 437.525 4.247 5 20 IIBD CC(C)(C)Oc1cccc(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)n1 444293607 WWUBNPAFBMJWCK-UHFFFAOYSA-N 437.446 4.462 5 20 IIBD CN(Cc1ccccc1)[C@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)C1CC1 444346093 WPSLFWPHADCOIM-HSZRJFAPSA-N 443.522 4.461 5 20 IIBD COc1ccc(CCN(CC(C)(C)C)C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 446903736 DBFJRVHVYLIGCF-UHFFFAOYSA-N 439.516 4.280 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)c1 460129877 WERVNHQPWHFKLU-UHFFFAOYSA-N 431.514 4.109 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)c1 460236040 ZJZJLOHWOHOTKH-UHFFFAOYSA-N 429.274 4.357 5 20 IIBD Cc1nn(-c2ccc(C(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)cc2)c(C)c1Cl 461407986 PRVIOLWVPMSSPG-UHFFFAOYSA-N 426.860 4.086 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1cc(-c2ccccc2C(F)(F)F)on1 462336113 BAXZLSONRSEGFG-UHFFFAOYSA-N 431.330 4.075 5 20 IIBD C[C@@H]1C[C@@H]1c1ccc(CN(C2CC2)S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)o1 463679885 NEQBOAROYJEKOD-DYVFJYSZSA-N 427.482 4.213 5 20 IIBD CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1 467344827 IRLSHUJTGHPXRD-UHFFFAOYSA-N 439.921 4.283 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 470611230 HQSZOQQKRZUZSK-UHFFFAOYSA-N 436.443 4.028 5 20 IIBD COc1cc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2OC)ccc1OCc1ccncc1 474972435 PZSXCTGUHUOJDP-HNNXBMFYSA-N 437.452 4.077 5 20 IIBD COc1ccc(C[C@H](C)CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1OC 476156707 NHCSFRYNICHKIJ-KRWDZBQOSA-N 429.517 4.411 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3ccc(Oc4ccccc4)o3)CC2)ccc1[N+](=O)[O-] 477359885 DJVWMEBBHFMJKB-UHFFFAOYSA-N 437.452 4.341 5 20 IIBD Cc1ccc(-c2cccnc2)cc1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 477519263 HRGXXQGOTWMZEC-UHFFFAOYSA-N 432.436 4.292 5 20 IIBD COC(=O)c1ccc(C(F)(F)F)nc1SCc1nc(-c2cccc([N+](=O)[O-])c2)no1 478711511 DWSOOWVAAQRQHG-UHFFFAOYSA-N 440.359 4.138 5 20 IIBD CCS(=O)(=O)c1c(Cl)cccc1CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 482021028 KCVVGDQXWSSJOY-UHFFFAOYSA-N 438.933 4.085 5 20 IIBD Cc1cccc(OC[C@H](O)CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)c1 484132715 PXQDICXKAFKNQY-GOSISDBHSA-N 438.505 4.224 5 20 IIBD O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N(Cc1cc(Br)ccc1F)C1CC1 484861440 HAWHHEJSRMMZNX-UHFFFAOYSA-N 437.221 4.030 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)S(=O)(=O)Cc1ccc(I)cc1 485315574 HIOSNINGSBEZOH-GFCCVEGCSA-N 445.278 4.184 5 20 IIBD COC(=O)c1ccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1C 485686706 BBBFHXOLKUCGBP-UHFFFAOYSA-N 428.388 4.439 5 20 IIBD COC(=O)c1cc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C)c(C)c([N+](=O)[O-])c1 485931039 DHFVBECRZWBREY-UHFFFAOYSA-N 428.832 4.090 5 20 IIBD O=C(N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 487067340 GSWMXWWKFMOXEP-UHFFFAOYSA-N 442.825 4.359 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ccccc3)cn2)cc1OC 487383012 BKPXSBCXPONPAQ-UHFFFAOYSA-N 439.424 4.068 5 20 IIBD CC(C)c1ccc([C@@H](NC(=O)Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)C(C)C)cc1 489133745 ZJBNHRCWYUXUDF-VWLOTQADSA-N 448.523 4.455 5 20 IIBD Cc1ccc([C@H](C)NC(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cc1[N+](=O)[O-] 489899590 RHTYPGLMUNCIIC-FHWLQOOXSA-N 440.544 4.073 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C/C(C)=C/c1ccccc1 494854099 RDKXNTZGWYDUIJ-PVGBUVFQSA-N 441.553 4.008 5 20 IIBD COc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)N2CCCCC2)cc1 497777182 XNXQVEIJIRAQDW-JOCHJYFZSA-N 434.496 4.109 5 20 IIBD CC[C@@H](c1ccccc1)N(CC(=O)OC)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 498093877 DCQSJMSKZWUUHK-QFIPXVFZSA-N 442.515 4.308 5 20 IIBD O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 498212288 NJHZHSDHQYMPKJ-SNVBAGLBSA-N 431.773 4.415 5 20 IIBD O=C(N[C@@H]1CCOc2c(-c3ccccc3)cccc21)c1cc2c(cc1[N+](=O)[O-])OCCO2 505139088 LBEYSYHCYNZWMQ-LJQANCHMSA-N 432.432 4.287 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2CCCc2ccccc2)cc1[N+](=O)[O-] 507949994 NLAIMZDTCPHFAP-LJQANCHMSA-N 430.526 4.016 5 20 IIBD COc1ccc(Cl)cc1NC(=O)c1cc([N+](=O)[O-])cc(I)c1C 509027008 RYGWUIIGRZUIPL-UHFFFAOYSA-N 446.628 4.422 5 20 IIBD O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)c1 512573630 NMHJPHOQJRTSOA-UHFFFAOYSA-N 429.427 4.361 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC(Oc2cc(C)ccc2C)CC1 513647754 LYNHDPKCBUDLDO-QGZVFWFLSA-N 427.501 4.091 5 20 IIBD Cc1cc(C(=O)NC2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)c(C)o1 513756840 ZWLJJWUBIFOZIE-UHFFFAOYSA-N 440.525 4.323 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)N2CCCc3cc(-c4ccccc4)ccc32)cc1[N+](=O)[O-] 513804700 DOQRBUMTZZVISY-UHFFFAOYSA-N 436.489 4.258 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)cn2)cc1C 516441778 QPERDRYZNDLYBL-MRXNPFEDSA-N 434.452 4.215 5 20 IIBD O=C(NCCO)c1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1Cl 516610695 QUHFBQIBLKMPEX-UHFFFAOYSA-N 431.901 4.311 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(Cc1ccc(F)cc1F)C1CCCC1 519890225 NSLJRJAQCJUXFS-UHFFFAOYSA-N 426.441 4.015 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C3CC3)[C@H](C)C3CC3)cc2)cc1[N+](=O)[O-] 520713885 PSJRMDXLRVKJKL-OAHLLOKOSA-N 443.525 4.107 5 20 IIBD Cc1ccccc1Oc1ccccc1CNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 520715079 HHGYIXXCKUBXFM-UHFFFAOYSA-N 447.495 4.122 5 20 IIBD Cn1c([C@@H]2CCCCN2C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)nc2ccccc21 521495642 SQGFVUBUKUQNNH-NRFANRHFSA-N 430.468 4.035 5 20 IIBD Cc1cc(C)cc(NC(=O)[C@@H](C)SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c1 522673183 VCZVMBPTXBYZTM-OAHLLOKOSA-N 429.498 4.270 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)cc([N+](=O)[O-])c1 522866902 AGYOYKUGUNFQGF-UHFFFAOYSA-N 433.420 4.194 5 20 IIBD Cn1cc(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 525027500 WOJCPEFGUWWZJW-INIZCTEOSA-N 439.903 4.048 5 20 IIBD CCC[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 525040336 BQTHGUGCUUOAAG-ROUUACIJSA-N 429.542 4.179 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(C(=O)CCC2CCCCC2)CC1 532483478 KSFAWXYSOFZSHT-KRWDZBQOSA-N 441.532 4.211 5 20 IIBD COc1cc(C(=O)N2CCC[C@@H]([C@H](C)O)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 533474010 PIFHJZILLSQWJZ-DZGCQCFKSA-N 434.876 4.282 5 20 IIBD O=C1NC2(CCCCC2)C(=O)N1Cc1ccccc1CNC/C=C\c1ccccc1[N+](=O)[O-] 537299573 HCFYDNWGUIFKLW-WQLSENKSSA-N 448.523 4.153 5 20 IIBD COc1cc(C(=O)N2CC[C@H](C)C3(CCC3)C2)c([N+](=O)[O-])cc1OCc1cscn1 537831746 OSBYYQMEAXBHFO-AWEZNQCLSA-N 431.514 4.291 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CCCSc3ccccc32)c1 538134451 AVBKWQKZJVRBGP-UHFFFAOYSA-N 429.317 4.048 5 20 IIBD COc1cc(C(=O)Nc2cc(C)nn2[C@H]2C[C@H]3CC[C@H]2C3)c([N+](=O)[O-])cc1OC(F)F 538249056 NSNMOBOSOPSBDT-OBJOEFQTSA-N 436.415 4.323 5 20 IIBD CCO[C@@H](C)c1noc(CN(C)Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)n1 538724303 CUYNUFJJGHIJHD-INIZCTEOSA-N 425.489 4.475 5 20 IIBD Cn1cc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 539155338 UUXINRANUDVFGB-UYAOXDASSA-N 444.850 4.048 5 20 IIBD COc1ccc([C@H](C)NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1Br 539269990 FVWFCSRGYZDCOU-NSHDSACASA-N 433.262 4.267 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]1c1cccc2c1OCCO2 543288020 GBTAJEVXXKFJNN-OAHLLOKOSA-N 434.901 4.475 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1NC(=O)CN1CCCCC1 543463455 TXZVIXYSODRFJY-INIZCTEOSA-N 442.491 4.209 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc(NC(=O)Nc2ccccc2)s1 544308249 WKHUEFYJWJNNFZ-UHFFFAOYSA-N 426.454 4.239 5 20 IIBD O=C(c1ccc(Cl)cc1)N1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 549750515 KSQVEVCCWSRXPN-UHFFFAOYSA-N 427.810 4.225 5 20 IIBD Cc1noc(C)c1CSc1ncccc1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] 552714315 OCASQYYCLSJACR-UHFFFAOYSA-N 426.498 4.202 5 20 IIBD CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 555361269 CJDOWVBHAGJWCD-HXUWFJFHSA-N 443.454 4.365 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 558729190 IYQCTSNRAWRHOX-GOSISDBHSA-N 441.553 4.059 5 20 IIBD CC1CCN([C@H](CN[C@H](c2cccc([N+](=O)[O-])c2)c2nccn2C)c2ccccc2)CC1 560514096 FKWAKIPLQXLDKJ-DNQXCXABSA-N 433.556 4.481 5 20 IIBD COc1cc(S(=O)(=O)Nc2ncc(-c3ccc(Cl)cc3)s2)ccc1[N+](=O)[O-] 564136899 LDRLNSXPWJYMLZ-UHFFFAOYSA-N 425.875 4.181 5 20 IIBD CNC(=O)CC[C@@H]1CCCCN1Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 565684078 NTVVLHVSTDVPQE-FQEVSTJZSA-N 441.528 4.063 5 20 IIBD Cc1ccc(C)c(-c2cc(NC(=O)Cn3c([N+](=O)[O-])cnc3C)n(-c3ccccc3)n2)c1 565967974 AMZIXSILJUKHAJ-UHFFFAOYSA-N 430.468 4.208 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC2(CC1)OCCc1ccsc12 566750106 IKQONKZSTPXIQU-UHFFFAOYSA-N 425.514 4.003 5 20 IIBD CCn1c(CSCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)nc2c(F)cccc21 575949029 IDLQNGGEWBWJDS-UHFFFAOYSA-N 430.461 4.335 5 20 IIBD C[C@@H]1CN(c2cc3ncnc(O)c3cc2[N+](=O)[O-])C[C@@H](c2cccc(C(F)(F)F)c2)O1 583788344 JZPLAGZGPXIRIZ-ZMZPIMSZSA-N 434.374 4.229 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1 584868983 QBSXTLLPJNIDIN-HXUWFJFHSA-N 432.908 4.006 5 20 IIBD O=C1CCC(=O)N1c1ccc(-c2nc(Cc3ccc(Cl)cc3Cl)no2)cc1[N+](=O)[O-] 589068908 XQUJJZZSNDVUFR-UHFFFAOYSA-N 447.234 4.196 5 20 IIBD CCCCN1C(=O)C2(CCCCC2)N[C@H]1c1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] 602760259 XGJAHGLMWVCDSJ-LJQANCHMSA-N 441.475 4.181 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 604473134 LEOSSEIALPCWFW-UHFFFAOYSA-N 436.917 4.094 5 20 IIBD COc1ccc(CCN(Cc2ccccc2)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 608922295 WJMDWUCWEJNOAF-UHFFFAOYSA-N 447.491 4.122 5 20 IIBD Cc1cccn2cc(CCNC(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)nc12 610434901 PNKYGDXNENSYBR-UHFFFAOYSA-N 429.480 4.136 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H](C)C[C@H]3CCOC3)c([N+](=O)[O-])c2)c(C)c1 610734906 UFODQLAKGDTGPJ-DLBZAZTESA-N 433.530 4.239 5 20 IIBD O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 611209379 YTFZUHHLCKQODT-INIZCTEOSA-N 430.455 4.074 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)c1ccc2nc(O)[nH]c2c1 611213364 OHJKQSKWNLTCGN-CQSZACIVSA-N 431.452 4.280 5 20 IIBD COc1cc(C(=O)NC2CCC(CO)CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 611990819 YEAJPWGCBGYQLR-UHFFFAOYSA-N 434.876 4.330 5 20 IIBD Cc1c(CNC(=O)N2CCc3[nH]c4c(Br)cccc4c3C2)cccc1[N+](=O)[O-] 616308222 UGANWMKHIWCACV-UHFFFAOYSA-N 443.301 4.415 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCO[C@H](c4ccco4)C3)n2Cc2cccs2)c1 619855069 KUKYJVKXRZGHCD-IBGZPJMESA-N 437.481 4.134 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NC3CCN(c4ncccn4)CC3)c([N+](=O)[O-])c2)cc1 727430866 FSUNFUNNOJTJMG-UHFFFAOYSA-N 432.484 4.026 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(Cc3nc(-c4ccsc4)no3)CC2)c(C(F)(F)F)c1 727438324 SCIXUDUMUIQKFC-UHFFFAOYSA-N 439.419 4.047 5 20 IIBD CCOc1cc(C(=O)Nc2cccc(CNC(=O)OC(C)(C)C)c2)c([N+](=O)[O-])cc1OC 727868454 GPFTYQPELMWLRF-UHFFFAOYSA-N 445.472 4.279 5 20 IIBD C[C@@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)N1c2ccccc2C[C@H]1C 728340230 JLMIWUMGJDDYAV-ZIAGYGMSSA-N 437.477 4.241 5 20 IIBD CC(C)COc1ccccc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 731377709 FKBBGUJWTZILLR-UHFFFAOYSA-N 440.374 4.444 5 20 IIBD CCOC(=O)c1cc(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)cc([N+](=O)[O-])c1 731840240 WVXTUMMFRHYINY-UHFFFAOYSA-N 427.413 4.269 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCc1ccnc(OCc2ccccc2)c1 731969034 FXACRIIZRACWNS-UHFFFAOYSA-N 449.435 4.177 5 20 IIBD CC(C)(C)[S@@](=O)Cc1cccc(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 734807489 RXGJPQDLTGYOMZ-SANMLTNESA-N 430.935 4.096 5 20 IIBD O=C1CCSc2ccc(C(=O)OCc3cnc(-c4ccc([N+](=O)[O-])cc4)o3)cc2N1 735601059 FIATYXYMSJVMSB-UHFFFAOYSA-N 425.422 4.041 5 20 IIBD CC(C)CC(=O)N[C@@H](C(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 735601503 XFHBZDIDFACKLC-OAQYLSRUSA-N 437.452 4.197 5 20 IIBD Cc1ccc(-n2nc(C)c(NC(=O)COC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)c2C)cc1 736866164 KYCYHIBNOJUANP-UHFFFAOYSA-N 442.859 4.155 5 20 IIBD Cc1c(C(=O)N2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 742014752 SCMAYCLKHZSCFN-HNNXBMFYSA-N 446.891 4.292 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(Cn3c(S)nnc3CCC3CCCC3)CC2)cc1 743391461 VXFUDGUSZBMFKI-UHFFFAOYSA-N 431.562 4.099 5 20 IIBD COc1ccc(OCCOC(=O)C2(c3ccc(Br)cc3)CC2)c([N+](=O)[O-])c1 744508239 UKFCPOMWYPSBAG-UHFFFAOYSA-N 436.258 4.020 5 20 IIBD O=C(COC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)Nc1ccc(F)c([N+](=O)[O-])c1 745348767 RWCWPOPOCUXSBO-ZIAGYGMSSA-N 427.215 4.326 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)OCC(=O)c3ccc4c(c3)COC4)cc2[N+](=O)[O-])C1 746536973 LFSJJPGASLWICN-HOTGVXAUSA-N 438.480 4.147 5 20 IIBD Cc1c(CC(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] 747775451 ADHXCFRIDBEAGM-UHFFFAOYSA-N 433.420 4.065 5 20 IIBD CC(=O)NC[C@@H](OC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccccc1 749214694 ZEHFGXKIBFBBNI-WAIKUNEKSA-N 448.479 4.197 5 20 IIBD CC(=O)NC[C@H](OC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 749215001 MWWSBYSDJJJVSD-QHCPKHFHSA-N 433.464 4.241 5 20 IIBD CCN(Cc1ccc(OC)cc1OC)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 755029444 BYDHEIFZDHWWGL-UHFFFAOYSA-N 438.278 4.429 5 20 IIBD CCOc1cc(COC(=O)CNC(=O)c2sc3ccccc3c2Cl)ccc1[N+](=O)[O-] 755509657 YVRYBQMEDXRZBC-UHFFFAOYSA-N 448.884 4.335 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1ccccc1)C[C@H](O)c1cccs1 756053829 CPRVFHHNNNVVSU-FQEVSTJZSA-N 425.510 4.139 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1cc(=O)c(OCc2ccccc2)co1 760228727 DMFCIONOUXFNDV-HNNXBMFYSA-N 441.461 4.351 5 20 IIBD CCCn1c(C)nnc1COC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 763618433 WHNBTIKJYSAMPP-UHFFFAOYSA-N 433.515 4.178 5 20 IIBD C[C@@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)cc1Cl 764623598 ANTWYNVXGPUYEF-YGRLFVJLSA-N 426.853 4.358 5 20 IIBD Cn1ccnc1[C@H](CCc1ccccc1)OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 764676074 AJALBGOWBCBPHZ-NRFANRHFSA-N 431.452 4.045 5 20 IIBD CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1 766197964 HLTAMIJXWQGCJZ-SZNDQCEHSA-N 433.461 4.253 5 20 IIBD C[C@@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)cc1 766998730 TUBKPDFBKHUFPR-SNVBAGLBSA-N 441.665 4.296 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCC[C@H]1c1cc(F)cc(Br)c1 767152936 FQVTXUYCKLBMQH-KRWDZBQOSA-N 447.264 4.210 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)C1SCCS1 768583703 ZFACEOCDUPYKGX-HNNXBMFYSA-N 438.914 4.277 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 770116099 HTPBZYXJHHCSKD-QGZVFWFLSA-N 444.406 4.448 5 20 IIBD O=C(CC1(CSc2ccccc2)CC1)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 770819236 QJPDKLHUVSJRFC-UHFFFAOYSA-N 440.930 4.016 5 20 IIBD Cc1cc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)n([C@H]2CCN(Cc3ccccc3)C2)n1 771848099 HCZKBVMMFZACPU-FQEVSTJZSA-N 436.541 4.356 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1ccc2c(c1)CCC(=O)N2C 775086178 LEJSARSOMKIBRM-UHFFFAOYSA-N 442.493 4.044 5 20 IIBD Cc1ccccc1-c1nc(C)c(C(=O)OCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)s1 775119241 RFAHMNPZYZQAFA-UHFFFAOYSA-N 425.466 4.155 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc2c1N(C(=O)c1cnn(-c3ccc([N+](=O)[O-])cc3)c1)CC2 775297292 JEPWRMHNRRCKBF-UHFFFAOYSA-N 449.467 4.330 5 20 IIBD C[C@H]1[C@@H](C)N(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCN1C(=O)OC(C)(C)C 780998768 FPODMBJYCVUHEX-CVEARBPZSA-N 435.524 4.151 5 20 IIBD C[C@H](OC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C(=O)N[C@H]1CCCC[C@@H]1C 781260267 QYOMHDBZFVGCSP-JMERFSKESA-N 442.462 4.200 5 20 IIBD C[C@@]1(C(=O)O[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)CCCOC1 781294828 XCSOJGFNKBCFKO-GHTZIAJQSA-N 432.860 4.288 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C(=O)Nc1cc(Cl)ccc1Cl 781392508 XSXAJZHRSBAJKY-JTQLQIEISA-N 426.256 4.152 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])c(F)c1)C1CCN(C(=O)c2cccc3ccccc23)CC1 782205330 KWCGCBTVAIQAAY-UHFFFAOYSA-N 436.439 4.483 5 20 IIBD CC(C)(C)OC(=O)NCCNC(=O)c1ccccc1NCc1ccc(Cl)c([N+](=O)[O-])c1 783246297 JRHGBDHXNPHJTE-UHFFFAOYSA-N 448.907 4.115 5 20 IIBD COc1ccc2oc([C@@H](C)NC(=O)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c(C)c2c1 783319730 XSZYIYZXUOVVAR-LLVKDONJSA-N 431.832 4.127 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCSc2nn(-c3ccccc3)c(=S)s2)cc1 783883646 CEVHUXOCUMMCFW-UHFFFAOYSA-N 439.565 4.137 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 784524571 AKXJVSBEBJQKMF-INIZCTEOSA-N 449.429 4.080 5 20 IIBD Cc1ccc(F)c(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])c1Br 785116225 SUSMSVLXMIMVJZ-UHFFFAOYSA-N 445.628 4.254 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)OCc1cc(Cl)c2c(c1)OCCCO2 786784203 BLGRAKIKQYTHEV-UHFFFAOYSA-N 444.827 4.080 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2cn(C)nc2-c2ccc(Cl)s2)cccc1[N+](=O)[O-] 789293875 CFUGFEXOSXALDQ-NSHDSACASA-N 448.888 4.203 5 20 IIBD COc1ccc2c(C)cc3nnc(SCc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])n3c2c1 789373320 DPWWEBFOBLQKCB-UHFFFAOYSA-N 425.426 4.308 5 20 IIBD Cc1cnc(COC(=O)c2ccc(Br)cc2Br)c(C)c1[N+](=O)[O-] 789670439 CAYSXLCLRXEWCE-UHFFFAOYSA-N 444.079 4.489 5 20 IIBD C[C@@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1ccc(NC(=O)NC2CC2)cc1 790537219 ABSDIYLWBHBHQN-LLVKDONJSA-N 434.855 4.091 5 20 IIBD CN(C)c1cc(F)c(C(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] 791218642 OZMQRJZZQJCRJK-FQEVSTJZSA-N 435.883 4.039 5 20 IIBD COc1ccc(OC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 792116539 LOFONPASJSCZAI-HNNXBMFYSA-N 439.251 4.120 5 20 IIBD C[C@H](OC(=O)c1cc(Cl)cc(F)c1Br)C(=O)Nc1ccccc1[N+](=O)[O-] 792697953 HUGLGCKUUOMRPP-QMMMGPOBSA-N 445.628 4.334 5 20 IIBD CN(CC(=O)N1CCCCC[C@H]1c1ccncc1)c1cc(Br)ccc1[N+](=O)[O-] 795245226 ZPVVQYSKKWQYSJ-KRWDZBQOSA-N 447.333 4.332 5 20 IIBD COc1c(C(=O)OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cccc1[N+](=O)[O-] 796308744 FDAJUULINHLVQD-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD CCOc1cc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)c([N+](=O)[O-])cc1OC 798126055 NLILLHZLEMVYGR-UHFFFAOYSA-N 449.463 4.184 5 20 IIBD CCc1nc2cc(CNC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)ccc2n1C1CC1 801716682 IIVAEWPLCUJNKT-UHFFFAOYSA-N 437.456 4.297 5 20 IIBD O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)[C@@H](O)c1cccc(C(F)(F)F)c1 803813782 YILGPHOVIZAKMR-AWEZNQCLSA-N 434.164 4.153 5 20 IIBD O=C1[C@@H]2C[C@H](F)CN2C(=O)N1Cc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 804173368 NBNLJSOCAVUVGX-NHYWBVRUSA-N 437.786 4.054 5 20 IIBD COC(=O)[C@H](C)OC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 807616025 MDKHKKJCGKEGCY-WZMONFQBSA-N 426.450 4.240 5 20 IIBD CC[C@H](C)N[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1ccco1 807679778 JUEMEPRYLALNFO-GXFFZTMASA-N 444.713 4.463 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 808137454 VEWPXORIIJCBCR-WKILWMFISA-N 448.520 4.294 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c(F)c1N1CCOCC1 809353705 NSQAQPTUPNMASO-QFIPXVFZSA-N 449.910 4.174 5 20 IIBD Cc1c(C(=O)Nc2cc(C)n(-c3ccc(F)cc3F)n2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 809354503 RPAFBYVCWOTSKW-UHFFFAOYSA-N 431.355 4.144 5 20 IIBD O=C(Nc1cc(F)c(N2CCOCC2)cc1F)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813248342 RTEKCWIYAGPCSS-UHFFFAOYSA-N 432.210 4.269 5 20 IIBD Cc1nn(Cc2ccc(C(=O)OCc3cnn(Cc4ccccc4)c3)cc2)c(C)c1[N+](=O)[O-] 912947248 JOBVKRNTZADBFV-UHFFFAOYSA-N 445.479 4.058 5 20 IIBD COc1ccc(CSc2nnc(COc3cc(C)ccc3C(C)C)n2N)cc1[N+](=O)[O-] 915793191 FRCTZZJCBGZSLV-UHFFFAOYSA-N 443.529 4.212 5 20 IIBD C[C@@]12CC3CC(C(=O)NS(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)(C1)C[C@](C)(C3)C2 916755602 XYFNYCVDUUCXDW-CMXJYWLISA-N 426.922 4.050 5 20 IIBD CCOC(=O)CN(C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C(C)C 920005137 ATTMCXBUIBMFLJ-UHFFFAOYSA-N 433.892 4.274 5 20 IIBD COc1cc(-c2noc(COc3cc(Cl)ccc3[N+](=O)[O-])n2)ccc1OC(F)F 920993216 YFWXCCLPDFRVFL-UHFFFAOYSA-N 427.747 4.487 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1NC(=O)CN1CCCCC1 921288354 KRLBPDJZVBVNQP-UHFFFAOYSA-N 430.892 4.233 5 20 IIBD CCN1C(=S)N[C@@H](c2csc(C(C)C)n2)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)=C1C 1251723714 CZFUZTXQWRYUQA-KRWDZBQOSA-N 445.570 4.339 5 20 IIBD CCn1cc([C@H]2C[S@@](=O)CCN2Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cn1 1255764818 MZCRMMXJYKBBGS-QTEAWJPNSA-N 448.932 4.030 5 20 IIBD COc1cc(CONC(=N)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c([N+](=O)[O-])cc1F 1320390300 VBBXWHHCPNDJMY-GOSISDBHSA-N 448.451 4.007 5 20 IIBD Nc1c(C(=O)N2CC(Cc3c(F)cccc3Cl)C2)cc(Br)cc1[N+](=O)[O-] 1321256548 AKECBCDLSLTNHO-UHFFFAOYSA-N 442.672 4.047 5 20 IIBD NC(=O)c1ccc(SCC(=O)O[C@H](Cc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 1344559337 UHHHFWSVXMVKHG-HXUWFJFHSA-N 436.489 4.313 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H]1c1nnc(C23CC4CC(CC(C4)C2)C3)o1 1345685345 ZROGXCWYEOZFBO-MJOKBVDLSA-N 428.514 4.484 5 20 IIBD Cc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCC2CCCC2)cc1[N+](=O)[O-] 1795419256 VMLOGDYOQCGGID-WKCHPHFGSA-N 427.545 4.054 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2C2CC2)CC1 1824073176 VIERVMVOBARNEA-FKBYEOEOSA-N 443.519 4.013 5 20 IIBD CCC(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)CC2 1825148346 WRSRXDUPWLEKTA-HNNXBMFYSA-N 444.557 4.032 5 20 IIBD CC(C)=CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)c([N+](=O)[O-])cn2)CC1 1830253691 ZNKBZEPJLOCQDH-OAQYLSRUSA-N 442.560 4.278 5 20 IIBD O=C(C1CCCC1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830617286 WZFZLQLDYPQIRC-HXUWFJFHSA-N 431.508 4.157 5 20 IIBD Cc1ccc(-c2ccccc2C(=O)N2CCCC23CN(C(=O)c2ccc([N+](=O)[O-])o2)C3)cc1 1845442915 XZILVFMTWXOQOX-UHFFFAOYSA-N 445.475 4.294 5 20 IIBD Cc1nn(C)c(C)c1NC(=O)[C@H](C)OC(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 12212999 JQVCRTABZGMBDU-HNNXBMFYSA-N 448.545 4.267 5 20 IIBD C[C@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 15649473 NBLWJRNMIRHHLG-QMMMGPOBSA-N 431.754 4.033 5 20 IIBD Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 15950026 ZUBDMJCAYSPNFA-UHFFFAOYSA-N 428.920 4.119 5 20 IIBD COC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2 16222634 OYDBGQFSAOYPRR-DTQAZKPQSA-N 432.432 4.350 5 20 IIBD COc1ccc(-c2nnc(COC(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)o2)cc1 18328184 RQQMAWYUUFUKII-UHFFFAOYSA-N 438.440 4.001 5 20 IIBD COc1ccc(CCn2c(C)cc(C(=O)COC(=O)c3ccccc3[N+](=O)[O-])c2C)cc1 20921266 KIYSOCKDGKXUGQ-UHFFFAOYSA-N 436.464 4.304 5 20 IIBD O=C(COC(=O)c1cc2c(OC(F)F)cccc2[nH]1)Nc1ccc(Cl)c([N+](=O)[O-])c1 25656529 ODAWWWMKEHKHOC-UHFFFAOYSA-N 439.758 4.126 5 20 IIBD CC(=O)Nc1ccc(C(=O)COC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1 28699433 LIYGTPWSZJMMFX-UHFFFAOYSA-N 447.447 4.205 5 20 IIBD O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 33150726 IKDFKJXGRRKVDA-UHFFFAOYSA-N 427.392 4.435 5 20 IIBD Cc1c(COc2ccc(N(C)S(=O)(=O)c3ccc(F)cc3)cc2)cccc1[N+](=O)[O-] 60803473 UEYVCMMPNPGFHV-UHFFFAOYSA-N 430.457 4.446 5 20 IIBD COc1ccc(N2C[C@@H](C(=O)N(CC3CC3)c3ccc(Cl)c([N+](=O)[O-])c3)CC2=O)cc1 63449392 DLBNIPRXTNZQEX-HNNXBMFYSA-N 443.887 4.053 5 20 IIBD CCCN(C[C@@H]1COc2ccccc2O1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 64894913 YNCSOAUHNMNNRE-QGZVFWFLSA-N 439.493 4.411 5 20 IIBD CC(C)(CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(Br)cc1 109275159 OELOZMRXZANSKZ-UHFFFAOYSA-N 443.301 4.251 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1Cl 116173680 GEWWDTYFPOVWND-UHFFFAOYSA-N 427.848 4.034 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CCC(OC4CCCC4)CC3)cc2)c(C)c1[N+](=O)[O-] 116424990 XIZREGLYGPIXAH-UHFFFAOYSA-N 426.517 4.020 5 20 IIBD O=c1c(Cl)c(N2CC[C@@H](Oc3cccc(Cl)c3)C2)cnn1-c1ccc([N+](=O)[O-])cc1 301835131 KYHQLEHOBJIKOH-QGZVFWFLSA-N 447.278 4.105 5 20 IIBD COCCN(Cc1cc(Br)cs1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] 426397953 VOASLMGBNFSWKY-UHFFFAOYSA-N 445.335 4.085 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2c3ccccc3S[C@@H](C)[C@@H]2C)cc1OC 430635599 HHXWZFLQTSNUSR-KBPBESRZSA-N 432.498 4.158 5 20 IIBD C[C@@H](Cc1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1)C(=O)O 432002290 JXUTZVDMZVURDI-NSHDSACASA-N 426.347 4.051 5 20 IIBD CC(F)(F)c1ccc(CNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)cc1 432174491 VDWOYWDKKLZEGF-UHFFFAOYSA-N 425.457 4.103 5 20 IIBD CN(C)C1(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CCCCCC1 435834034 HVUMHMIXLYOTPX-UHFFFAOYSA-N 427.495 4.344 5 20 IIBD Cc1ccccc1CN1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 435837708 UJUQIYMUZLGTLQ-UHFFFAOYSA-N 447.485 4.226 5 20 IIBD C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCc2ccccc21 436105526 SXFQLYPAAAPFQT-CQSZACIVSA-N 433.458 4.141 5 20 IIBD C[C@H]1CCCN(C(C)(C)CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 436148570 GBYQRFFAMUBOEV-AWEZNQCLSA-N 427.495 4.200 5 20 IIBD COc1ccccc1Nc1nnc(Sc2cc(C(F)(F)F)ncc2[N+](=O)[O-])s1 436272058 FZDKBWARWCWHSG-UHFFFAOYSA-N 429.405 4.764 5 20 IIBD CN(C[C@H]1OCCc2ccccc21)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436361093 BVHOFHIWPIYPBP-JOCHJYFZSA-N 434.442 4.346 5 20 IIBD CCN1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)c(C)c2)CC1 437137477 NPJWXXUSCNCETE-UHFFFAOYSA-N 436.434 4.316 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1F)N(C[C@@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F 440420385 MKQIREZGUCGZDR-MRXNPFEDSA-N 439.409 4.261 5 20 IIBD CS(=O)(=O)c1cccc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])c1 440447981 WHQPJLJIQDBJHI-UHFFFAOYSA-N 428.491 4.402 5 20 IIBD CC[C@H](Cc1ccccc1Br)N(C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C 441878347 KNWLMUXTCIAESK-OAHLLOKOSA-N 448.317 4.084 5 20 IIBD Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 443875895 FTZSUTQBMQDOJE-MRXNPFEDSA-N 439.415 4.076 5 20 IIBD CC(C)CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 443879905 GYNQTWPXDZSGEH-LRDDRELGSA-N 447.479 4.070 5 20 IIBD Cc1cccc(NC(=O)COc2ccc(CCNC(=O)c3c(C)cccc3[N+](=O)[O-])cc2)c1 446024463 RKZCQKOYGAAINX-UHFFFAOYSA-N 447.491 4.202 5 20 IIBD Cc1csc(C2(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)CCCC2)n1 447024337 WIXZDDKYHSSJEY-UHFFFAOYSA-N 435.449 4.126 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1 460468642 JYYFKSKEZWTBMB-UHFFFAOYSA-N 447.369 4.496 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCSc2ccccc21 460847300 DUSWFTVIWVOULW-CQSZACIVSA-N 425.432 4.421 5 20 IIBD CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NCc1csc([N+](=O)[O-])c1 462202552 MJFNFOHTHLZTLC-UHFFFAOYSA-N 440.591 4.145 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ncn(C(C)(C)C)n1 463087695 WLDKSQBGKVASAR-UHFFFAOYSA-N 443.485 4.099 5 20 IIBD O=C(Cc1csc(-c2cccc(F)c2)n1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464661425 KITQFMYITZEFBK-UHFFFAOYSA-N 441.484 4.470 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 466516939 SMARMDAQOMXKED-UHFFFAOYSA-N 440.477 4.220 5 20 IIBD CC(C)CO[C@@H]1CCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 468799261 CMLRJJAEIJSQGZ-MRXNPFEDSA-N 445.903 4.388 5 20 IIBD CCC1(CC)Oc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)cc2O1 470724248 RVQSODFZTHDXOM-CQSZACIVSA-N 445.497 4.187 5 20 IIBD CCc1ccc(C(=O)N[C@@H](CC)c2ccccc2OCC(=O)N2CCCC2)cc1[N+](=O)[O-] 471349562 FZDBAICISJZGGB-FQEVSTJZSA-N 439.512 4.040 5 20 IIBD O=C(NCC1(CCOCc2ccccc2)CC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 471556185 AVBCASZRPVJSJW-UHFFFAOYSA-N 437.540 4.315 5 20 IIBD COc1cc(C(=O)Nc2ccc(Cl)cc2-n2cccn2)c([N+](=O)[O-])cc1OC(F)F 472672924 SYCFDLCETQPFBZ-UHFFFAOYSA-N 438.774 4.296 5 20 IIBD CC(C)c1ccc(C(=O)N2CCCN(C(=O)c3cccc(Cl)c3)CC2)cc1[N+](=O)[O-] 473697510 QVCUFVVDHFDFTL-UHFFFAOYSA-N 429.904 4.360 5 20 IIBD C[C@@H](c1nnc(SCc2nc3ccc([N+](=O)[O-])cc3[nH]2)n1-c1ccc(F)cc1)N(C)C 473794060 AIJYUBSOGYEQHO-LBPRGKRZSA-N 441.492 4.106 5 20 IIBD O=[N+]([O-])c1ccn(C2CCN(Cc3ccc(OC(F)(F)F)c(Br)c3)CC2)n1 475220195 PTUNYXZARAJUBI-UHFFFAOYSA-N 449.227 4.290 5 20 IIBD O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 475884269 PVHAFKVEXUIKSO-MRXNPFEDSA-N 443.656 4.364 5 20 IIBD O=C(Nc1cc(Br)ccc1N1CCCC1)c1n[nH]c2ccc([N+](=O)[O-])cc12 478256150 VCLOWENMQVXRIC-UHFFFAOYSA-N 430.262 4.086 5 20 IIBD COc1cc(C(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)cc([N+](=O)[O-])c1C 478628070 DJPMPWXCVXYIBX-UHFFFAOYSA-N 437.427 4.484 5 20 IIBD COc1cc(C(=O)N[C@@H](CCc2ccccc2)C(F)(F)F)c([N+](=O)[O-])cc1OC(F)F 479780680 DBKDCXYGMVTIEZ-INIZCTEOSA-N 448.344 4.498 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(-c3ccc(Cl)s3)on2)c2ncccc12 481870577 YFLXUIJFMMAKDO-UHFFFAOYSA-N 436.858 4.314 5 20 IIBD COc1cccc(N2CC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3SCC(C)C)C2)c1 484947415 VCPBDESTVFXVOO-INIZCTEOSA-N 429.542 4.360 5 20 IIBD Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)CC2)s1 485399271 AZYQSJXRXQMZGN-UHFFFAOYSA-N 426.473 4.128 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1ccccc1N1CCCCC1 485456725 XFIAGQSWFGPNQY-UHFFFAOYSA-N 440.319 4.148 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 485847009 QONDMOLVLNUZDX-QZTJIDSGSA-N 449.617 4.304 5 20 IIBD CCOc1ccc(-c2nc(C(=O)Nc3cc(C(=O)OC)cc([N+](=O)[O-])c3C)cs2)cc1 485961707 ZYZKEKIXSKGAMG-UHFFFAOYSA-N 441.465 4.464 5 20 IIBD O=C(CNc1ccccc1Nc1ccc(F)cc1F)Nc1cc2c(cc1[N+](=O)[O-])OCO2 486194332 JKOZKVJQAUPLEH-UHFFFAOYSA-N 442.378 4.396 5 20 IIBD O=C(NCc1nc(-c2ccc(Cl)cc2)no1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 487288481 BQDIRSSJIHRJRV-UHFFFAOYSA-N 427.848 4.172 5 20 IIBD C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1c1nc(O)c2cc([N+](=O)[O-])ccc2n1 488478913 NNZHYHCTKJZZGV-DIFFPNOSSA-N 434.374 4.229 5 20 IIBD CCOc1ccc(-c2nc(CN3CCC(n4ccc([N+](=O)[O-])n4)CC3)cs2)cc1OC 488779912 GRMOMHUIYLZBDQ-UHFFFAOYSA-N 443.529 4.159 5 20 IIBD CC(C)(C)c1ccc(C(=O)NCc2cn3cc(Br)ccc3n2)cc1[N+](=O)[O-] 492193992 HDOOICOKFDGVKP-UHFFFAOYSA-N 431.290 4.233 5 20 IIBD Cc1cc(C)c(S(=O)(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc1[N+](=O)[O-] 493265252 XVIMVPJNSMXBQB-QGZVFWFLSA-N 442.497 4.178 5 20 IIBD CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H](CO)c1cccc(Br)c1 501438569 ZTEQXNWJEBIUQE-SFHVURJKSA-N 432.274 4.178 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@](O)(Cc4cccc(Cl)c4)C3)o2)c1 501815337 WMTKEIHTJPAMIM-QFIPXVFZSA-N 427.888 4.125 5 20 IIBD COC(=O)c1cc(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c(C)cc1Br 506188954 BNKGXFRRJPYPSZ-UHFFFAOYSA-N 447.245 4.114 5 20 IIBD O=C(C1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1)N(Cc1ccccc1)C1CC1 509376809 AATVBRGTZQLUQX-UHFFFAOYSA-N 429.467 4.276 5 20 IIBD Cc1c(Br)cc(C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)cc1[N+](=O)[O-] 509874041 QMBAGSFPJYVPHB-QGZVFWFLSA-N 447.264 4.058 5 20 IIBD CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc([N+](=O)[O-])c(OC)c1 511315612 OQZSYDWTCFKQDD-UHFFFAOYSA-N 426.256 4.011 5 20 IIBD CC(=O)NCCN(Cc1ccc(C)s1)C(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C 512040500 NIOVAYRDPUWSSM-UHFFFAOYSA-N 449.598 4.491 5 20 IIBD COC(=O)c1cc(C(=O)N[C@@H](c2ccc(F)cc2)c2ccc(OC)cc2)cc([N+](=O)[O-])c1 512169927 ZFJSLTFSFWQDQB-NRFANRHFSA-N 438.411 4.049 5 20 IIBD CCC[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(=O)Nc1cccc(N2CCCC2)c1 513954743 LZKWQTROXAPWEZ-HXUWFJFHSA-N 439.516 4.432 5 20 IIBD CCc1ccc(-n2nc(C(=O)Nc3ccnn3-c3ccc([N+](=O)[O-])cc3)c3c2CCC3)cc1 518816557 DPIZKTGQFYJPQF-UHFFFAOYSA-N 442.479 4.270 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCCOC2CCCC2)cc1[N+](=O)[O-] 519130946 CAQIAHOMRUIEEE-UHFFFAOYSA-N 428.510 4.237 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(F)c3F)cc2)cc1[N+](=O)[O-] 520059026 ACFPQSORCLACNC-UHFFFAOYSA-N 447.419 4.235 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2cccc(Br)c2)C2CC2)c(Cl)c1 520073777 PLKJPWNLRVSNBW-UHFFFAOYSA-N 445.722 4.364 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Nc1cccc(COCCc2ccccc2)c1 521598039 UMRAKABTPYNLMB-UHFFFAOYSA-N 430.457 4.294 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2cc(C(N)=O)ccc2Cl)cc1[N+](=O)[O-])c1ccccn1 522736799 OTIGNFURALIYHK-GFCCVEGCSA-N 439.859 4.168 5 20 IIBD CS(=O)(=O)c1cc(C(=O)N[C@H](CC2CCCCC2)c2ccccc2)cc([N+](=O)[O-])c1 523175802 PUAVBFXQTXNQOV-OAQYLSRUSA-N 430.526 4.440 5 20 IIBD CCCNC(=O)C1(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCCC1 523279033 PXYYUQYUENDRRU-UHFFFAOYSA-N 447.479 4.051 5 20 IIBD COc1cc(C(=O)N2CCCc3c(Cl)ccc(OC)c32)c([N+](=O)[O-])cc1OC(F)F 524387242 SCJJEPIRLACYIM-UHFFFAOYSA-N 442.802 4.460 5 20 IIBD CCCN1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3C)c(OCC)c2)CC1 530348346 MBIHRDBHFOVNPT-UHFFFAOYSA-N 426.517 4.086 5 20 IIBD O=C(N[C@H]1CCN(c2ncccc2F)C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 532622741 PMYLTBMTYWHJPO-INIZCTEOSA-N 438.484 4.289 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3cccc(CC(=O)O)c3)cc2[N+](=O)[O-])n1 532691905 ZEIPNWMVSXDEII-UHFFFAOYSA-N 429.479 4.390 5 20 IIBD CC[C@H](NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@@H](c1ccc(C)cc1)n1cncn1 535172820 IXTSOOIAKAEUBS-PIPMEXSNSA-N 436.516 4.232 5 20 IIBD CCOCCN(C)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 537858130 VBJLTMRIEGIBKD-SFHVURJKSA-N 436.306 4.005 5 20 IIBD CCOc1cc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1OCC(F)(F)F 538738541 ARSFJOOGXMUJNJ-OAHLLOKOSA-N 440.422 4.016 5 20 IIBD CS(=O)(=O)c1ccc(Sc2ccccc2C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 538870842 BANAMAFWTBQZMW-UHFFFAOYSA-N 444.490 4.107 5 20 IIBD Cc1ccc(-c2noc([C@H](C)N[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)n2)cc1F 541690709 RBIJWKJIODBONK-NEPJUHHUSA-N 447.854 4.424 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2CCc3c(cccc3OC)C2)c([N+](=O)[O-])c1 543893738 IFMVUEHRJMLKNG-UHFFFAOYSA-N 446.459 4.184 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 544624339 ZFDFVVZCPCKWFN-UHFFFAOYSA-N 441.246 4.031 5 20 IIBD COc1ccc(-c2nc(Cc3c[nH]c4cccc(Br)c34)no2)cc1[N+](=O)[O-] 545074987 HSOBGBIKFNGNGC-UHFFFAOYSA-N 429.230 4.488 5 20 IIBD Cn1c(SCc2csc(Nc3ccccc3)n2)nc2cc([N+](=O)[O-])ccc2c1=O 545132026 MXLORBYZBPUSRC-UHFFFAOYSA-N 425.495 4.334 5 20 IIBD O=C1[C@H](c2nc(Cc3ccccc3[N+](=O)[O-])no2)CCN1c1ccc(Cl)c(Cl)c1 546242235 LIUNANWYPULILF-ZDUSSCGKSA-N 433.251 4.396 5 20 IIBD Cc1ccc(C)c(NC(=O)[C@H](C)[S@@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1 550957458 VVIPWLLSCGGAJU-JGVYIQDASA-N 427.482 4.143 5 20 IIBD COc1ccc(-c2ccc(CNc3cc(Cl)cc(C(N)=O)c3OC)o2)c([N+](=O)[O-])c1 551229968 DSKDAPFSBVVRJE-UHFFFAOYSA-N 431.832 4.236 5 20 IIBD Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)CC3 551440622 USWGUCAOJSEQQI-HNNXBMFYSA-N 448.523 4.294 5 20 IIBD O=C(N[C@@H](c1cncc(Br)c1)C1CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 552419810 HDSFWUAUFNPUPC-LJQANCHMSA-N 445.317 4.234 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@H]3CCO[C@@H]3c3cccnc3)cc2[N+](=O)[O-])n1 552530102 RQWFQXWEFODIGE-MAUKXSAKSA-N 442.522 4.166 5 20 IIBD CS(=O)(=O)C[C@@H](NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)C1CC1 556260750 JDAJKCVJHZZNLJ-QGZVFWFLSA-N 442.896 4.092 5 20 IIBD CC(=O)c1cc(N[C@H]2CCN(c3ccc(Br)c(C)c3)C2=O)ccc1[N+](=O)[O-] 561267926 NREFUTJFEZACDE-KRWDZBQOSA-N 432.274 4.086 5 20 IIBD COC(=O)COc1ccc(CN2CCC(c3c[nH]c4ccc(F)cc34)CC2)cc1[N+](=O)[O-] 571327895 ILEGOPOJLDEHJG-UHFFFAOYSA-N 441.459 4.147 5 20 IIBD Cc1cccc(C(=O)N(CCc2ccc(Cl)cc2)C[C@H](O)C(F)(F)F)c1[N+](=O)[O-] 578632942 VVILIVDGOSRJIN-INIZCTEOSA-N 430.810 4.165 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N1CCc2cc(Cl)ccc21 587169314 IXGAPKCGPOPGAX-UHFFFAOYSA-N 428.613 4.056 5 20 IIBD CC[C@@H](c1ccccc1)S(=O)(=O)Cc1cc(I)cc([N+](=O)[O-])c1 589550595 NOVFAJJDNPQFQZ-INIZCTEOSA-N 445.278 4.266 5 20 IIBD COc1ccc(C2=NN(C(=O)COc3cc([N+](=O)[O-])ccc3C)[C@@H](c3ccco3)C2)cc1 603727246 CRTSIKNAUZITGO-HXUWFJFHSA-N 435.436 4.262 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCC[C@H](OCC(F)(F)F)C1 603981494 GLKTVVYNIDFFTE-KRWDZBQOSA-N 437.418 4.390 5 20 IIBD O=C(Nc1ccc(F)cc1)[C@@H]1CCc2ccccc2N1C(=O)c1csc([N+](=O)[O-])c1 608872773 QFUUNYDMOFNFIT-SFHVURJKSA-N 425.441 4.396 5 20 IIBD COc1cc(CNc2cccc(Cn3cncn3)c2)c([N+](=O)[O-])cc1OCc1ccccc1 609634123 HAOROKIYCDHYBL-UHFFFAOYSA-N 445.479 4.434 5 20 IIBD O=C(NCCOc1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1Br 610040780 OKHCQFJDHQLTEU-UHFFFAOYSA-N 433.180 4.185 5 20 IIBD Cn1c(COc2ccccc2Cl)nnc1Sc1ncnc2ccc([N+](=O)[O-])cc12 611701694 LGJZEQAPDWANPK-UHFFFAOYSA-N 428.861 4.050 5 20 IIBD CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2NC)CC1 613226779 PXDAPFJCUZSMFH-HXUWFJFHSA-N 439.512 4.226 5 20 IIBD COc1ccc(C2(NC(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CCOCC2)cc1 613861674 KDGMUOAFZXDTJM-UHFFFAOYSA-N 439.390 4.450 5 20 IIBD CCOc1cc(NC(=O)CCc2nc(-c3ccsc3)no2)c([N+](=O)[O-])cc1OCC 619212832 IUKPXPDPKXMVNP-UHFFFAOYSA-N 432.458 4.075 5 20 IIBD COc1cc(CNC[C@H](O)c2cccc(F)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 725848508 VDELZZAMHKNQQN-NRFANRHFSA-N 426.444 4.145 5 20 IIBD COc1ccc(COC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])c(Br)c1OC 725935324 QCTPTMOEJAPRLH-UHFFFAOYSA-N 432.173 4.010 5 20 IIBD CN(Cc1ccccc1-c1ccccc1)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O 726593034 WPVQTAKAPJLLPL-UHFFFAOYSA-N 430.464 4.120 5 20 IIBD C[C@H](OC(=O)CCc1nc2cc(Cl)ccc2s1)C(=O)Nc1ccccc1[N+](=O)[O-] 730608497 MDWPAZIPGXJCQZ-NSHDSACASA-N 433.873 4.361 5 20 IIBD O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc(-c2ccco2)nc2ccccc12 731504896 FNUYPRDYUUNOIE-JOCHJYFZSA-N 443.415 4.365 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1nc(-c2ccc(C)cc2C)cs1 731638598 JSXXFIWXETYQEB-UHFFFAOYSA-N 441.465 4.174 5 20 IIBD CC(C)(C)OC(=O)NCc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1 732124452 BRQBYRMCIFJRLE-UHFFFAOYSA-N 440.500 4.472 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@@H]1CCc2c(Cl)cccc21 732507111 OAFWCXOKVFGMFR-RBUKOAKNSA-N 448.928 4.330 5 20 IIBD C[C@@H](OC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)C(=O)Nc1ccccc1C(F)(F)F 735353378 HQMOEBUHBRYTHH-SNVBAGLBSA-N 449.341 4.051 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(N3CCC(CN(C)C)CC3)cc2)c1 738560597 PCBQLYJSQTXQEX-UHFFFAOYSA-N 440.544 4.089 5 20 IIBD COc1ccccc1C[C@@H](C)CC(=O)OC1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 739368041 AZNHIBGBOHANAK-QGZVFWFLSA-N 442.512 4.393 5 20 IIBD CCc1c(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)nnn1-c1ccc(OC(C)C)cc1 741174461 BYXHQIQBGOUISM-UHFFFAOYSA-N 431.399 4.056 5 20 IIBD CC(C)(C)OC(=O)N1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)c2ccccc21 742180675 AIGKTPQUVFZZOB-UHFFFAOYSA-N 437.456 4.263 5 20 IIBD CS(=O)(=O)c1cccc([C@@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc(F)cc2)c1 742421168 JMUHCFLBMDDWKR-FQEVSTJZSA-N 445.428 4.247 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCCc2nc(C(F)(F)F)cs2)CC1 742930354 UVHRWNHGMOWHNE-UHFFFAOYSA-N 442.463 4.279 5 20 IIBD C[C@H](OC(=O)c1ccc(Br)c(F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 743062642 HSEHRHLUVNKKNN-VIFPVBQESA-N 436.193 4.464 5 20 IIBD Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 744554483 PVXFILFNCMQPHP-MSOLQXFVSA-N 439.512 4.316 5 20 IIBD O=C(O[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 744602185 ZHCKGQBWGYBDST-GOSISDBHSA-N 445.378 4.030 5 20 IIBD COc1ccc(OCCOC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)c([N+](=O)[O-])c1 744903037 VMDJIUCHXXSORE-JKSUJKDBSA-N 436.258 4.092 5 20 IIBD C[C@@H](C(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Br)s1 745641540 UVZPEQUQCDKTHQ-MRVPVSSYSA-N 447.694 4.358 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 746260029 ANYFQIDFACRTDI-MAUKXSAKSA-N 426.366 4.481 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)[C@H]1CCCN(Cc2ccccc2)C1 746409337 BJHFALIBWSWMQV-QFIPXVFZSA-N 436.556 4.322 5 20 IIBD CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CC(=O)OCCOc1ccccc1[N+](=O)[O-])C2 748245742 ZLUAYHBLUADIKU-IRXDYDNUSA-N 434.489 4.085 5 20 IIBD C[C@H](OC(=O)c1ccccc1NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] 748331556 FWBGHVZAENSPQI-ZDUSSCGKSA-N 429.429 4.126 5 20 IIBD C/C(=C\C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 748386862 BNDQDJQDONIYTK-DHZHZOJOSA-N 426.322 4.338 5 20 IIBD Cc1ccsc1[C@@H]1C[C@@H]1C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 748451564 QYRXDEGXCIXGKC-NEPJUHHUSA-N 428.388 4.269 5 20 IIBD CCOC(=O)Cn1ccc2cc(NC(=O)c3ccc(Br)c([N+](=O)[O-])c3)ccc21 748517913 OVPCOOKMYNIFJO-UHFFFAOYSA-N 446.257 4.127 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)OCCCC(c1ccc(F)cc1)c1ccc(F)cc1 748910355 GLDKPSGCZXKRCX-UHFFFAOYSA-N 442.418 4.190 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C1CCC(NC(=O)OC(C)(C)C)CC1 749443797 SHIVVPOZKQYTAI-QQFBHYJXSA-N 437.562 4.370 5 20 IIBD O=C(NC[C@H](Cc1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 749774134 CQHNFCXJPITBKT-SFHVURJKSA-N 437.883 4.329 5 20 IIBD CC(C)[C@H](NC(=O)COC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 750963931 JVBLWHOFNUGLFM-SFHVURJKSA-N 435.274 4.028 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)CCc2nc(O)c3c4c(sc3n2)CCCC4)cc1[N+](=O)[O-] 752416202 HATJFDCFTUPNBC-CYBMUJFWSA-N 440.525 4.302 5 20 IIBD COc1cc(C)cnc1C(=O)Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1 753921902 WWCFBTZDEHTRBT-UHFFFAOYSA-N 432.388 4.299 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2C)c([N+](=O)[O-])c1 753957811 WXDPUUDFHNGKDG-UHFFFAOYSA-N 437.474 4.060 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@H]1CCOc2c1ccc(Cl)c2Cl 754069184 WUSQDEWNDPFSOB-LBPRGKRZSA-N 444.658 4.134 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)OCc1ncc(-c2ccc(F)cc2)o1 755301814 MITBGXPSJSCLCQ-UHFFFAOYSA-N 435.205 4.437 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)Nc1cc2c(cc1Br)OCCO2 757191156 RCOBBWKJZROMOS-UHFFFAOYSA-N 442.653 4.104 5 20 IIBD CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[C@H]1NC(=O)OC(C)(C)C 757364669 FXGTXDCAUZJSQF-BLLLJJGKSA-N 445.438 4.379 5 20 IIBD C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 760200664 QHHDGHAZCQHBFN-HNNXBMFYSA-N 445.903 4.312 5 20 IIBD O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1cc([N+](=O)[O-])ccc1Br 763711001 GXCBYIDFKYLFIP-JTQLQIEISA-N 442.672 4.159 5 20 IIBD CCCCn1ccnc1-c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 763763073 NMNPSCSADPZQAQ-UHFFFAOYSA-N 449.511 4.347 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 765112622 GFLIEEPAFFWIPY-ZFMNYDKASA-N 445.560 4.315 5 20 IIBD C[C@@H](Cc1ccc(Br)cc1)C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 766238638 VEFTXHVCOSYUCH-LBPRGKRZSA-N 446.257 4.329 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccc(-n2ncc(C(=O)O)c2C(F)(F)F)cc1 767115602 LUNXUSHTAUISOV-KMKOMSMNSA-N 446.341 4.149 5 20 IIBD CCOc1cc(CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)ccc1O[C@H](C)C(=O)N(C)C 768214976 KRTFIBHJAZGVAJ-OAHLLOKOSA-N 449.935 4.134 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@H](Cc2cccc(Cl)c2F)C(C)=O)cc1SC 768675423 BBOWPSXCBQLANM-OAHLLOKOSA-N 441.864 4.475 5 20 IIBD C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 770373642 JNDSSLQKQDXISV-CABCVRRESA-N 432.546 4.453 5 20 IIBD CC[C@@H](C)c1ccc(NC(=O)Cc2noc(Cn3ncc4ccc([N+](=O)[O-])cc43)n2)cc1 771061653 PREPUZRPXUWGON-CQSZACIVSA-N 434.456 4.071 5 20 IIBD CCCN(C(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)C(C)C 771517295 GWISKYRGWUSCCB-UHFFFAOYSA-N 428.445 4.324 5 20 IIBD Cc1c(C(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 775067957 FAIFTRPSGBUABF-KRWDZBQOSA-N 437.811 4.126 5 20 IIBD O=C(Nc1c(Cl)ccc2nsnc12)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 776960213 BRFWCLBELXXPGU-UHFFFAOYSA-N 432.767 4.446 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)cs1 777661621 STPYZHLRFSKMBL-GFCCVEGCSA-N 432.907 4.058 5 20 IIBD COc1ccc(Cn2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)n2)cc1 777937493 ICQXQESXLJOYSI-UHFFFAOYSA-N 449.511 4.337 5 20 IIBD COc1ccc(COC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1[N+](=O)[O-] 781258466 SLMKVPVVLBWAKR-UHFFFAOYSA-N 440.358 4.233 5 20 IIBD Cc1ccccc1-c1noc([C@H](C)OC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 781738361 VSOMEKAAXFANDE-ZDUSSCGKSA-N 426.385 4.098 5 20 IIBD Cc1ccc(COC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1Br 782247657 MZYXAWANDOKTSV-UHFFFAOYSA-N 449.257 4.097 5 20 IIBD CN(C)c1ccc(COC(=O)Cc2ccccc2NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] 784510114 NLKGNIBYDMPOBR-UHFFFAOYSA-N 429.473 4.294 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N[C@H]2CC(C)(C)c3ccccc32)cc1[N+](=O)[O-] 784750423 JVMANQREVNRUTG-INIZCTEOSA-N 446.301 4.143 5 20 IIBD O=C1CC[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)c2ccccc21 786083283 JVBUIDUFGZKIRE-QGZVFWFLSA-N 447.413 4.023 5 20 IIBD COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 787463951 JEQCPRAQDCNHRR-HNNXBMFYSA-N 448.907 4.016 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)Oc1ccc(Oc2ncc(Br)cn2)cc1 789725469 CFWGNGPUMWXILG-UHFFFAOYSA-N 430.214 4.467 5 20 IIBD O=C(N[C@@H]1CCCOc2ccccc21)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 790692290 PEAKQWKDWJZJCE-QGZVFWFLSA-N 446.301 4.339 5 20 IIBD CCCn1ncc(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c1C1CC1 791243194 CTCGLCQZKKHNQS-UHFFFAOYSA-N 433.306 4.040 5 20 IIBD Cc1nn(CN2CCC(c3ccc(Br)cc3)CC2)c2ncc([N+](=O)[O-])cc12 799944442 YMCOMUHTFNHJKC-UHFFFAOYSA-N 430.306 4.248 5 20 IIBD C[C@H](OC(=O)[C@H]1CCCC(F)(F)C1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 800283015 VRPUWEOPHHWAKC-AAEUAGOBSA-N 439.440 4.414 5 20 IIBD O=[N+]([O-])c1ccc(N2CCOCC2)c(-c2nc(COc3ccc4ccccc4c3)no2)c1 809331655 ITLUDBWVYMSAGQ-UHFFFAOYSA-N 432.436 4.214 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@]3(CCc4ccccc4O3)C2)c(Cl)cc1Cl 809862936 MIACMUKDKCVFIQ-GOSISDBHSA-N 443.308 4.060 5 20 IIBD C[C@H](OC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1 811289737 VUWCEAIJOCWBKT-LBPRGKRZSA-N 449.485 4.212 5 20 IIBD CCOC(=O)C[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1cccc(OC)c1 812919224 JKGBQSPEJWBKFU-MRXNPFEDSA-N 441.267 4.335 5 20 IIBD Cc1cc(Cl)c(C(=O)O[C@@H](C)C(=O)N(C)Cc2nc3ccccc3s2)cc1[N+](=O)[O-] 815407027 DYNHSHWXFODARH-LBPRGKRZSA-N 447.900 4.370 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1ccc(OCc2ccccc2)cc1 915665209 MZSDJKBFSSUZDY-UHFFFAOYSA-N 436.420 4.012 5 20 IIBD C[C@H](Oc1ccccc1F)C(=O)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 918635802 UQSUKBPBSNQUKU-WMZOPIPTSA-N 444.459 4.129 5 20 IIBD C[C@H](c1ccco1)N(C(=O)c1cc([N+](=O)[O-])ccc1I)C1CC1 919859551 MGKCYJUNOWKBOQ-SNVBAGLBSA-N 426.210 4.158 5 20 IIBD CCCN1CCN(c2ccc(NC(=O)c3cc(OC)ccc3[N+](=O)[O-])cc2Cl)CC1 920279928 SSZBVZMFNBTVOA-UHFFFAOYSA-N 432.908 4.041 5 20 IIBD O=C(Nc1nnc2ccc(Cl)nn12)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 1115822411 NCHRVJJYLWODEK-UHFFFAOYSA-N 426.845 4.089 5 20 IIBD O=C(c1[nH]c2ccc(Cl)cc2c1Cl)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1318087646 SZQRVYUSKWCSIX-UHFFFAOYSA-N 433.295 4.341 5 20 IIBD O=[N+]([O-])c1ccccc1OCc1nnc(C2CCN(c3ccc(C(F)(F)F)cn3)CC2)o1 1322399150 JPIFQCVFHKZCEP-UHFFFAOYSA-N 449.389 4.355 5 20 IIBD O=C(Nc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1)c1ccc(Cl)cc1[N+](=O)[O-] 1322535091 FMBOUECRMFCOLM-UHFFFAOYSA-N 449.716 4.269 5 20 IIBD O=C(NCc1ccc(-n2cnc3ccccc32)nc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 1322818376 LGNGZEIRCWVCJC-UHFFFAOYSA-N 441.369 4.278 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)NC1(c2ccc(NC(=O)[C@@H]3CC3(F)F)cc2)CCC1 1789136764 LJKXSZHQFAQURT-INIZCTEOSA-N 445.422 4.012 5 20 IIBD O=C(CCc1cccc(O)c1)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1 1791697353 JUNXOTXOBBVBPM-UHFFFAOYSA-N 448.479 4.009 5 20 IIBD Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])c1 1793079544 RTKYGMPPSFMMJR-ACDBMABISA-N 441.915 4.051 5 20 IIBD Cc1cccc(C(=O)N2CCC3(CCCN(C(=O)CCc4cccc([N+](=O)[O-])c4)C3)CC2)c1 1806492754 FKDSOHPEMUDZBS-UHFFFAOYSA-N 449.551 4.381 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCCCN2C(=O)c2cccs2)CC1 1825773080 LXPDNAHONDLUFB-HXUWFJFHSA-N 441.553 4.132 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CC2(CCCN2C(=O)c2sc3ccccc3c2Cl)C1 1843709820 ZTOPMJZEBJOYKZ-UHFFFAOYSA-N 445.884 4.187 5 20 IIBD COc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)ccc1OC(F)F 15030588 HGILVRIWIZRFGG-UHFFFAOYSA-N 435.427 4.125 5 20 IIBD O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 15379732 KKIPZUWZIBKBLJ-UHFFFAOYSA-N 446.511 4.432 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2cccc(Br)c2)c1 16197140 ODYOVPIWIRXXPK-SNVBAGLBSA-N 439.287 4.263 5 20 IIBD C[C@@H](OC(=O)c1cccc(Cl)c1N)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 18404023 HRRMORNBDAMVSV-SNVBAGLBSA-N 446.872 4.138 5 20 IIBD Cc1cc(OCC(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2F)ccc1[N+](=O)[O-] 26332548 XMRCWXPPHAUQJD-UHFFFAOYSA-N 439.447 4.045 5 20 IIBD CC(=O)NCCCc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])s3)n2)cc1 29346438 CDLVZOOTPQKKCS-UHFFFAOYSA-N 430.511 4.101 5 20 IIBD CC[C@H](C)N(Cc1ccccc1)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 69446503 PVILSYKQEDMWHA-HNNXBMFYSA-N 425.514 4.315 5 20 IIBD COc1ccc2[nH]cc(C3CCN(C(=O)c4cnn(-c5ccc([N+](=O)[O-])cc5)c4)CC3)c2c1 108869116 CYTNEQWCPIVNMX-UHFFFAOYSA-N 445.479 4.290 5 20 IIBD Cc1ccc(CN(Cc2ccco2)C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)s1 109202079 HWLCMYFIQMFRMN-UHFFFAOYSA-N 437.481 4.289 5 20 IIBD Cc1nn(-c2ccc(C(=O)NCc3cccc([N+](=O)[O-])c3)cc2)c(C)c1Br 195716043 UENMPAQZJJUAAD-UHFFFAOYSA-N 429.274 4.090 5 20 IIBD COc1cccc(C2(CN[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)CCCC2)c1 303409343 UHCLAQYKNBKRDN-MRXNPFEDSA-N 427.501 4.041 5 20 IIBD Cc1nccn1-c1ccc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1F 409458862 XUJDTBPFNSHHQR-UHFFFAOYSA-N 440.478 4.104 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CC(=O)N(CC(C)C)C(C)(C)c1ccc(Br)cc1 426296902 VECILUUGSVGBCC-UHFFFAOYSA-N 437.338 4.282 5 20 IIBD C[C@H](CC(=O)O)NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 427308845 NGNREKVACFGCEG-SNVBAGLBSA-N 428.388 4.358 5 20 IIBD CC[C@]1(CO)CCCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 428525399 NQIFAGWXSBQLJP-QFIPXVFZSA-N 445.903 4.125 5 20 IIBD C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 428787487 QITMJPKQXKTSQW-DJJJIMSYSA-N 438.402 4.442 5 20 IIBD C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(Br)cc2[N+](=O)[O-])CCN1Cc1ccccc1 430600283 HDSFTMPYEVWMRZ-QAPCUYQASA-N 446.345 4.482 5 20 IIBD COc1cccc([C@@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])c2cc(F)ccc2OC)c1 435815349 DPHGJEKNABKFAY-OAQYLSRUSA-N 440.427 4.279 5 20 IIBD CN(C)[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccc(F)cc1 436056814 DNKUHWROGYLAID-OAQYLSRUSA-N 439.437 4.131 5 20 IIBD O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436079392 CBGCFZYSSWKBPO-UHFFFAOYSA-N 447.441 4.448 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)c1c(Cl)cccc1Cl 439736914 SJWWVCFROQFPOP-NSHDSACASA-N 440.283 4.159 5 20 IIBD CC(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c([N+](=O)[O-])c1 440841960 CZAZYRNTKFANPV-UHFFFAOYSA-N 426.425 4.247 5 20 IIBD CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 442519552 YUNFXEHJCAHVIB-KXBFYZLASA-N 447.438 4.211 5 20 IIBD C[C@@H]1C[C@H](NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CN1Cc1ccccc1 444224480 JVIQLRDKBNOVNJ-AEFFLSMTSA-N 429.495 4.213 5 20 IIBD CC[C@@H]1Cc2c(Br)cccc2CN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] 444878664 VERBOGQMDYFWGB-LLVKDONJSA-N 445.360 4.164 5 20 IIBD COc1ccc(CSCc2nc(-c3ccc(-c4nnco4)cc3)no2)cc1[N+](=O)[O-] 445400798 GJYCWUADIWYVCA-UHFFFAOYSA-N 425.426 4.137 5 20 IIBD COc1ccc(C(=O)CC(C)(C)Cc2nc(Cc3cc(OC)ccc3[N+](=O)[O-])no2)cc1 445574020 YNNYODKUCSUPEB-UHFFFAOYSA-N 439.468 4.428 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cc(OC)c(Br)s3)n2)c1 445584837 VBHVAMNSRGBNFZ-UHFFFAOYSA-N 426.248 4.077 5 20 IIBD Cc1c(C)n(C[C@H]2CCCO2)c2ncnc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])c12 445992899 LTKTWMGLCKMDOM-CYBMUJFWSA-N 429.864 4.041 5 20 IIBD Cc1cccc(Cn2nccc2NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1 446071706 QTHYVYQAMRBGMM-UHFFFAOYSA-N 429.274 4.092 5 20 IIBD COc1ccccc1CN(Cc1cccs1)C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 446532845 SKMIXSYUCFLXPE-UHFFFAOYSA-N 439.493 4.141 5 20 IIBD CCOc1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)ccc1OCc1cccnc1 446585510 JJRWTQODDDVNJC-UHFFFAOYSA-N 433.464 4.166 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCC(C)(C)S(=O)(=O)CC3)cc2[N+](=O)[O-])cc1 446764414 HEGWIQKYJAMJQB-UHFFFAOYSA-N 448.566 4.094 5 20 IIBD Cc1c(Cl)cccc1C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 447097735 BVJXSYAWFOGBIT-UHFFFAOYSA-N 437.886 4.098 5 20 IIBD Cc1cnccc1OC1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC1 447676460 CCQAGVYXCLDTEO-UHFFFAOYSA-N 432.349 4.395 5 20 IIBD NC(=O)c1ccc(CNc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)c([N+](=O)[O-])c1 464083149 SHHHVPLXFQUKHL-UHFFFAOYSA-N 442.834 4.351 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2c3ccccc3CC23CCOCC3)cc1SC 464711321 OTYMIYZVDZVBPY-FQEVSTJZSA-N 428.510 4.149 5 20 IIBD COc1cc(CN2CC[C@@H](C)N(Cc3ccccc3)CC2)c([N+](=O)[O-])cc1OC(F)F 464834805 HHRSPKLIERMTTN-MRXNPFEDSA-N 435.471 4.301 5 20 IIBD CO[C@H](CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccc(F)cc1 465391685 YYRWQXNLZUDUIA-OYHNWAKOSA-N 438.459 4.420 5 20 IIBD O=C(CCCNC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)NC1CC1 466845003 XNVZBFGERZLFGG-UHFFFAOYSA-N 433.917 4.188 5 20 IIBD CSc1ccc(F)cc1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 466871569 STRKCMYJIFXUBO-UHFFFAOYSA-N 425.290 4.241 5 20 IIBD CC[C@H]1Oc2cc([C@H](C)Nc3ccc(C(=O)NC(C)C)cc3[N+](=O)[O-])ccc2NC1=O 467008514 YEFZOLQDVOLPQX-ORAYPTAESA-N 426.473 4.016 5 20 IIBD O=C(NCc1cc2cc(Br)ccc2[nH]1)N1CCc2ccc([N+](=O)[O-])cc2C1 467018216 GAQMTLXRGPPFTD-UHFFFAOYSA-N 429.274 4.107 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(c2ccccc2C(F)(F)F)CC1 474300549 CJWWHLDVUJADLL-UHFFFAOYSA-N 444.431 4.191 5 20 IIBD COC(=O)COc1ccc(CN2CCC(c3nc4ccccc4s3)CC2)cc1[N+](=O)[O-] 475574253 KLIPKMCZZNFMPT-UHFFFAOYSA-N 441.509 4.136 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)cc1[N+](=O)[O-] 475835337 UDTWGGRKMZJUQB-UHFFFAOYSA-N 442.318 4.024 5 20 IIBD COc1cccc(Cc2nnc(NCc3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)o2)c1 479770532 AARXYIJAWGPIDY-UHFFFAOYSA-N 436.424 4.458 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N[C@H](CO)c2ccccc2OC(F)(F)F)c1Br 480827774 NKIIXLISVAVZNP-SNVBAGLBSA-N 436.184 4.105 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCOc1ccc(C(F)(F)F)cn1 482777802 SIBPQSCPWGPOBN-UHFFFAOYSA-N 429.420 4.320 5 20 IIBD O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)c1cnc(O)c([N+](=O)[O-])c1 484266855 HDBYKHSZADESCV-UHFFFAOYSA-N 425.253 4.302 5 20 IIBD CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] 484941040 WTNQDGBQUFVRET-SFHVURJKSA-N 441.818 4.487 5 20 IIBD CN(C(=O)c1sc(Br)cc1[N+](=O)[O-])C1CCN(Cc2ccccc2)CC1 485556638 VWVVYHFHXLXRSW-UHFFFAOYSA-N 438.347 4.155 5 20 IIBD CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 485631006 NPOFADPGMUJUPC-UHFFFAOYSA-N 442.440 4.162 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCC(Cc3ccc(F)c(F)c3)CC2)c(C)c([N+](=O)[O-])c1 486863695 ABYAAXHILZWTDF-UHFFFAOYSA-N 447.438 4.455 5 20 IIBD C[C@@H]1CN(c2cccc3cnccc23)CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 487629167 FDEIRSGGZPLPCN-MRXNPFEDSA-N 431.496 4.068 5 20 IIBD CC(C)(C)C[C@H](NC(=O)Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)c1ccc(F)cc1 487938058 FJSHYOFTQAFMLW-SFHVURJKSA-N 425.460 4.343 5 20 IIBD C[C@@H](c1nc(O)c2c3c(sc2n1)C[C@H](C)CC3)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 488771258 QNDINBXOQWRUNB-OLZOCXBDSA-N 442.545 4.025 5 20 IIBD Cc1c(C(=O)Nc2ccc(Oc3ccccc3F)nc2)nnn1-c1cccc([N+](=O)[O-])c1 488882469 PCXAOQAMENVTPB-UHFFFAOYSA-N 434.387 4.063 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN([C@@H]2CCc3c(Cl)cc(Cl)cc32)CC1 490146802 TVBZZHGECZWEBS-OAHLLOKOSA-N 426.325 4.408 5 20 IIBD CCOC(=O)[C@@H]1CCCc2sc(NC(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)nc21 493694313 YGDMHFWOJWQYAX-SECBINFHSA-N 443.403 4.305 5 20 IIBD CN1C(=O)C[C@H](NCCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]1c1ccc(Cl)cc1 494243556 BCYIXJBSGOEJQF-AVRDEDQJSA-N 440.887 4.007 5 20 IIBD CCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)[C@@H](c1cccnc1)c1ccc(F)cc1F 496445691 BMTDNSOLJSFSNI-QFIPXVFZSA-N 443.454 4.110 5 20 IIBD COc1cccc(C(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)c2cccc(OC)c2)c1 499979803 DTFOSWLQZHSNHA-UHFFFAOYSA-N 432.436 4.008 5 20 IIBD C[C@H](Nc1ccc(CC(=O)N2CCc3ccccc32)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 501972133 UTLNCRLVAMHJKE-KRWDZBQOSA-N 444.491 4.166 5 20 IIBD CCn1c([C@H]2CCCN2C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)nc2ccccc21 506213518 YWXVIBTYFPUGPG-OAQYLSRUSA-N 430.468 4.127 5 20 IIBD Cc1ccnc(Oc2cc(NC(=O)C(=O)N(C)CCc3ccccc3[N+](=O)[O-])ccc2C)c1 506741653 HENCFKVDSJAMTJ-UHFFFAOYSA-N 448.479 4.039 5 20 IIBD O=C(N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)c1cc2c(cc1[N+](=O)[O-])OCCO2 508485262 XBYBJJXSKYMKOW-CZUORRHYSA-N 436.386 4.451 5 20 IIBD C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 510850244 CRLSSYDWASAMHZ-GFCCVEGCSA-N 432.387 4.002 5 20 IIBD C[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(NC(=O)NC2CC2)cc1 510870277 ZIMIBUCUPJZLLV-LLVKDONJSA-N 449.414 4.363 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCC[C@@H](c4nncn4C)C3)cc2[N+](=O)[O-])cc1 511264459 FPOQTTYZGYWKJX-QGZVFWFLSA-N 437.525 4.203 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC[C@@H](COc2ccccc2Cl)C1 513879584 GMSZQFYVEZITKP-MRXNPFEDSA-N 440.887 4.365 5 20 IIBD Cc1c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)nnn1-c1ccc(OC(C)C)cc1 518239466 FSAMQLVPWYAVNV-UHFFFAOYSA-N 437.500 4.322 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccccc1CN(C)C1CCCCC1)c1cccc([N+](=O)[O-])c1 519009701 ODVXJLGWLPXBAP-QGZVFWFLSA-N 438.528 4.175 5 20 IIBD O=C(Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2)c1cc2c(cc1[N+](=O)[O-])OCCO2 520001158 YTJRHEAQRZWXFP-AWEZNQCLSA-N 437.477 4.347 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N(CCN(C)C)C2CCCCC2)cc1[N+](=O)[O-])c1ccccn1 520304954 JISBQGGXRXZJHR-GOSISDBHSA-N 439.560 4.499 5 20 IIBD CCCCN(C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[C@@H]1CCS(=O)(=O)C1 531767282 RSJZJSPJJXHQOZ-GOSISDBHSA-N 448.566 4.175 5 20 IIBD CC(C)CCSc1ccc(C(=O)Nc2ccc3c(c2)OCC(=O)N3C)cc1[N+](=O)[O-] 532725744 SJEXIBAGCGNYTN-UHFFFAOYSA-N 429.498 4.341 5 20 IIBD CCSCc1ccnc(NC(=O)c2ccc([N+](=O)[O-])cc2I)c1 534188220 LGRQDSOKSXQWSK-UHFFFAOYSA-N 443.266 4.100 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCSc1nnc(C)n1[C@H]1CCC[C@H](C)C1 534606330 PAGIQSNJAWXOIN-ZFWWWQNUSA-N 433.534 4.375 5 20 IIBD Cc1ccc(NC(=O)C[S@@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1Cl 534796125 HRLHNJRUYMNGGA-LJAQVGFWSA-N 433.873 4.099 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Sc2nnc(C)n2[C@@H]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 536090656 NTKVFHUPEOGPDG-KCQAQPDRSA-N 433.534 4.374 5 20 IIBD Cc1cc(F)ccc1-n1cc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)nn1 538252801 PBHSHKUOOQOONX-UHFFFAOYSA-N 438.444 4.023 5 20 IIBD CC(C)CN(C(=O)c1ccc2c(c1)nnn2C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 539352504 LMJXFVDYDXORQK-UHFFFAOYSA-N 436.497 4.303 5 20 IIBD COc1cc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc(OC)c1Br 539793797 OOODOMGDIGHCHW-UHFFFAOYSA-N 443.681 4.000 5 20 IIBD COc1cc(C(=O)Nc2cc(C)n(-c3cccc(F)c3)n2)c([N+](=O)[O-])cc1OC(F)F 540635273 BTIUDMXWYWLOSD-UHFFFAOYSA-N 436.346 4.090 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 541316927 NZLXJDBHOWCYLQ-HXUWFJFHSA-N 426.860 4.241 5 20 IIBD COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 542001021 VJFINAGSXKNCLV-HNNXBMFYSA-N 438.267 4.154 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C 544222220 BPRODWGVLOYVSX-UHFFFAOYSA-N 434.452 4.486 5 20 IIBD CN([C@H]1CCSc2ccc(Br)cc21)S(=O)(=O)c1cccc([N+](=O)[O-])c1 545469425 KYEHOCNAAKDESW-HNNXBMFYSA-N 443.344 4.215 5 20 IIBD C[C@H](SCC(=O)Nc1ccc(F)cc1)c1nc(CCNc2ccccc2[N+](=O)[O-])no1 545669953 WYQXGUYFRWPRFD-ZDUSSCGKSA-N 445.476 4.204 5 20 IIBD Nc1ccc(-c2noc([C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)n2)cc1[N+](=O)[O-] 546966149 URRMUPIQLRLEDA-NSHDSACASA-N 434.239 4.054 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(c2nc([C@@H]3CCCC[C@@H]3C)no2)CC1 547102407 MTZXWAGFFOMXTD-KBXCAEBGSA-N 448.545 4.148 5 20 IIBD COc1cc(CNc2ccc3c(c2)N(CC(F)F)CCS3)c([N+](=O)[O-])cc1OC 551620350 WRFXAWPKZZTQIF-UHFFFAOYSA-N 425.457 4.401 5 20 IIBD CC1CCN(Cc2cccc(CN[C@@H](c3ccc([N+](=O)[O-])cc3)c3nccn3C)c2)CC1 552245985 CLDYKOBSSXNYDE-DEOSSOPVSA-N 433.556 4.439 5 20 IIBD CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C[C@H](C)[S@]1=O 553065898 ZLCAQWUNSRCLBL-NSJMIIRRSA-N 449.960 4.232 5 20 IIBD COc1ccc(CN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C2CC2)c(OC)c1 555074407 QEYDCBBQHSIRQX-OAHLLOKOSA-N 443.500 4.131 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1ccccc1Oc1cccc(F)c1 555301462 FRVAFYMSYNLLAT-UHFFFAOYSA-N 437.427 4.166 5 20 IIBD CS(=O)(=O)c1ccccc1CC(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 555886692 VUHOGDRXORKOET-UHFFFAOYSA-N 448.547 4.392 5 20 IIBD CN(c1ccccc1)c1ccc(CN[C@H](C2CC2)C2(CO)CCOCC2)cc1[N+](=O)[O-] 560611654 MURRWBQINDAMEN-HSZRJFAPSA-N 425.529 4.020 5 20 IIBD Cc1c(NC(=O)[C@H](C)N2CCC(c3noc4cc(F)ccc34)CC2)cccc1[N+](=O)[O-] 570321747 SUIKJSZECNSPPX-AWEZNQCLSA-N 426.448 4.390 5 20 IIBD O=C(NCc1noc(-c2cccs2)n1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 571721777 ZKIVXVLXAGSDSY-UHFFFAOYSA-N 438.415 4.001 5 20 IIBD Cc1cccc(COc2c(C)cc(CN(C)c3nccc(C(N)=O)c3[N+](=O)[O-])cc2C)c1 573770026 KSHRJHYMOPSLHR-UHFFFAOYSA-N 434.496 4.229 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 574235187 HLNGPJPBRHKUIC-LBPRGKRZSA-N 442.299 4.248 5 20 IIBD CCCC(=O)N1CCCC[C@@H]1c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 576191978 JBIYMUNQYDHVCH-OAHLLOKOSA-N 437.294 4.185 5 20 IIBD CC(C)(C)Cc1nc2cc(NC(=O)N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)ccc2o1 576381349 QYFBFGTWJXYEBU-UHFFFAOYSA-N 438.488 4.074 5 20 IIBD Cc1c(CNC(=O)C(=O)N[C@H](c2cccc(Cl)c2)C2CCCC2)cccc1[N+](=O)[O-] 578256963 ARFMWBGOYDBJHM-FQEVSTJZSA-N 429.904 4.221 5 20 IIBD COc1cc(Cc2noc(COc3ccccc3C(F)(F)F)n2)c([N+](=O)[O-])c(OC)c1 582764606 DNTGSVUUFZHLCD-UHFFFAOYSA-N 439.346 4.184 5 20 IIBD COCc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)sc1C(=O)OC 584794903 DIIAKQKSROAUJZ-UHFFFAOYSA-N 443.437 4.029 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C2(c3cccc(Br)c3)CC(=O)C2)cc1[N+](=O)[O-] 589441613 OJTBOFIUHZIEMR-CYBMUJFWSA-N 431.286 4.144 5 20 IIBD CCCCCn1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c2ccccc2c1=O 603638804 HABQNOFLUHIPRB-UHFFFAOYSA-N 446.410 4.349 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(OCC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)c1 603677486 SQOWRSUIVAYRNX-UHFFFAOYSA-N 444.459 4.261 5 20 IIBD Cc1ccc(CNC(=O)c2cccc(CNC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)c2)cc1 604131134 WJWXJXJKTZVHSP-SFHVURJKSA-N 446.507 4.394 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)Nc3cccnc3)c(Cl)c2)c1 608874807 IXUVZOPUXOSLNV-UHFFFAOYSA-N 426.816 4.156 5 20 IIBD COc1ccc(CNC(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)cc1[N+](=O)[O-] 608983536 CNCNUKLIHQBUOF-SFHVURJKSA-N 440.283 4.193 5 20 IIBD O=C(NCc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 609090715 FHUPQQXHJMUGPW-UHFFFAOYSA-N 438.447 4.254 5 20 IIBD C[C@@H]1CN(C)CCN1C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 609450418 VFPSBUHYFQZEOA-CYBMUJFWSA-N 428.539 4.132 5 20 IIBD CCCCOc1ccc([C@H](C)N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC 609450892 AQOLUHZYQRXHIH-JXFKEZNVSA-N 427.501 4.238 5 20 IIBD COc1ccccc1Oc1ccc(CNC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1 609506772 QNEWGSWZUZAVFM-UHFFFAOYSA-N 438.436 4.100 5 20 IIBD Cc1cc(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)ccc1N1CCNC1=O 609762810 VNNWOOWMPUMYHE-UHFFFAOYSA-N 432.436 4.477 5 20 IIBD O=C(CSCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Nc1ccc(F)c(Cl)c1 609770232 HANYMVTYTPERFS-UHFFFAOYSA-N 439.852 4.057 5 20 IIBD C[C@@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccc(Cl)c1Cl 609796674 JZYNPVNUUHAZOA-SECBINFHSA-N 430.675 4.162 5 20 IIBD CC(C)(CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCCCC1 609873463 VNSPYBBUFLKQKQ-UHFFFAOYSA-N 440.331 4.082 5 20 IIBD O=C(Cc1csc(-c2ccoc2)n1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 609987332 GHDRTLGFEWARMG-UHFFFAOYSA-N 440.403 4.101 5 20 IIBD CC(C)(C(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1ccc([N+](=O)[O-])cc1 610059090 IAHNCYCBYAQKPL-UHFFFAOYSA-N 435.446 4.236 5 20 IIBD COc1cc(C(=O)Nc2ccc(F)cc2OCC2CC2)c([N+](=O)[O-])cc1OC(F)F 610123505 GUBTVLTZVRUGRT-UHFFFAOYSA-N 426.347 4.385 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC[C@@H]1CCO[C@@H]1c1ccccc1 610184504 MGMFRYXXZBXZCI-MGPUTAFESA-N 437.418 4.310 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 611147830 RYLMJSXNMCMEEX-RYUDHWBXSA-N 427.345 4.346 5 20 IIBD O=C(CCNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)NCc1ccccc1 611202518 DPEZFAMUHDUMGR-UHFFFAOYSA-N 427.526 4.066 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(C(=O)NC2CC2)cc1 611398135 AYJYDNMVCIIHOO-UHFFFAOYSA-N 427.526 4.260 5 20 IIBD CO[C@H](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 726547765 RVOKAFGHTXMFAM-GOSISDBHSA-N 425.529 4.209 5 20 IIBD Nc1cc(C(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)cc(Cl)n1 726767648 CRRZEJIVCUIYMF-UHFFFAOYSA-N 447.234 4.350 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)[C@@H](C)Oc2ccccc2C(F)(F)F)cccc1[N+](=O)[O-] 727203321 BKPNZXARXHOWIE-QWHCGFSZSA-N 440.374 4.260 5 20 IIBD Cc1cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(-c2cccc(Cl)c2)n1 727246395 NUUJHQCXBYKBGB-UHFFFAOYSA-N 427.269 4.197 5 20 IIBD O=C(c1ccc(-c2cnco2)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727329249 RHMXQMGHBFAEAC-UHFFFAOYSA-N 446.385 4.231 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl 733670092 UFRVXWNRAMEZGF-ZDUSSCGKSA-N 428.659 4.297 5 20 IIBD Cc1cc(OC(F)F)c(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 734058306 JVOIKOSTRNWIGA-QMMMGPOBSA-N 434.804 4.404 5 20 IIBD O=[N+]([O-])c1ccc(Oc2ccc(CNC(=S)NC3CCOCC3)cc2F)c(Cl)c1 735422822 FKLPLHGJFNFNIT-UHFFFAOYSA-N 439.896 4.323 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)c1cnc(-c2ccccc2)[nH]1)c1cccc([N+](=O)[O-])c1 736070573 XQQBJGYVTVFVPA-LJQANCHMSA-N 448.479 4.227 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cc(O)nc3ccc(F)cc23)cc1)c1cccc([N+](=O)[O-])c1 737468933 AMUFXBDDVKGUSK-UHFFFAOYSA-N 447.378 4.459 5 20 IIBD Cc1ccc(NCCCNC(=O)c2c(C)nn(-c3ccccc3)c2Cl)c([N+](=O)[O-])c1 739654654 OZQWHDLSZBCEIH-UHFFFAOYSA-N 427.892 4.283 5 20 IIBD CCOC(=O)N(C)c1ccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 743120522 MLEAUABVIFRWLC-UHFFFAOYSA-N 442.472 4.263 5 20 IIBD C[C@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1nc(-c2cccc(F)c2)no1 743837832 OTQIFKDMJOTVOS-VIFPVBQESA-N 435.209 4.037 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 744193954 HACXOAHTJMCNQT-APWZRJJASA-N 444.488 4.021 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 744193955 HACXOAHTJMCNQT-LPHOPBHVSA-N 444.488 4.021 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3ccc(-c4cnco4)cc3)CC2)ccc1[N+](=O)[O-] 744204501 OHSDGHYXMFTUBC-UHFFFAOYSA-N 437.452 4.474 5 20 IIBD Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 748639066 SKFWVQDXIAUJPM-UHFFFAOYSA-N 428.445 4.066 5 20 IIBD CN(C(=O)COC(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCCc2ccccc21 750825650 IDICNVXQRIMTDQ-QGZVFWFLSA-N 447.285 4.050 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])c(Br)cc2F)cc1F 751691143 HOWVHJHHFXNHEC-SECBINFHSA-N 443.200 4.128 5 20 IIBD O=C(OCc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1)c1ccc(N2C(=O)CCC2=O)cc1 752217165 LRLYHQPGIIGGPX-UHFFFAOYSA-N 446.415 4.398 5 20 IIBD O=C(CCN[C@@H](c1cccc(Cl)c1)c1ccccn1)Nc1cc([N+](=O)[O-])ccc1F 753929518 JGSVKJIPZYSIBV-NRFANRHFSA-N 428.851 4.490 5 20 IIBD CCN(CC)Cc1ccccc1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754632924 SEMJOLOGXYPEOH-UHFFFAOYSA-N 438.297 4.268 5 20 IIBD O=C(NC[C@H](O)COc1cccc(F)c1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 755495021 IRNRLJMBKDCCIC-SFHVURJKSA-N 448.516 4.186 5 20 IIBD O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1Br)c1ccccc1)N1CCCCC1 758334225 HCGXHNARMSQXIX-UHFFFAOYSA-N 446.301 4.017 5 20 IIBD Cc1ccc(-c2nnc([C@H](C)OC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)o2)cc1C 758933577 RWYJFGGAGLQQOK-HNNXBMFYSA-N 433.424 4.365 5 20 IIBD COCCN(C(=O)/C=C\c1ccc(Cl)nc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 759756626 FLNSAKHFMILBAR-OQFOIZHKSA-N 444.900 4.460 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760506036 XCUGBMINLBQNGV-NSHDSACASA-N 447.787 4.322 5 20 IIBD C[C@@H](C(=O)OCc1nnc(-c2ccc(Br)s2)o1)c1cccc([N+](=O)[O-])c1 763401386 FUBLDGAQMUREPQ-SECBINFHSA-N 438.259 4.316 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])c2cccnc12)N[C@@H](c1ccccc1)C1CCCC1 766231984 OWDRFHDJUMQVBW-QFIPXVFZSA-N 433.464 4.348 5 20 IIBD CC[C@H](C)CS(=O)(=O)Oc1ccc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1OC 767231213 SOVOPEJINKAHJY-KXBFYZLASA-N 446.525 4.340 5 20 IIBD C[C@@H](CC(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1)C1CCN(C(=O)OC(C)(C)C)CC1 767684304 WMHSMPMNFPMRSZ-AWEZNQCLSA-N 447.488 4.453 5 20 IIBD CC(=O)[C@H](Cc1c(F)cccc1F)OC(=O)Cn1c2ccccc2c(=O)c2ccccc21 768544496 VARNBTNQWDNNNH-QHCPKHFHSA-N 435.426 4.176 5 20 IIBD CCOc1cc(/C=C\C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1O 768617150 DHHWXRSOSRUGHY-PTJCHJMSSA-N 425.397 4.067 5 20 IIBD Cc1ccc(Cc2nc(C(=O)O[C@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)cs2)cc1 768802366 RJYDOHZBFKEWML-ROUUACIJSA-N 426.498 4.488 5 20 IIBD COc1ccccc1COC1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 769719002 BAJRSUJVZQJHCT-UHFFFAOYSA-N 433.892 4.148 5 20 IIBD O=C(OCc1nnc(-c2cccc(Cl)c2)o1)c1cc(Br)cc([N+](=O)[O-])c1 770155838 DUSDEHMDKGHLIA-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD CC(C)OC(=O)NCc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 770177495 QICOKMPYUMMZNP-UHFFFAOYSA-N 436.262 4.244 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3ccc(N(C)CCO)cc3)cc2[N+](=O)[O-])n1 777434567 OFIYHVUZNHQVQS-UHFFFAOYSA-N 444.538 4.192 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)ccc1Cl 777695068 PKNLDJOWGDSPHQ-UHFFFAOYSA-N 445.309 4.145 5 20 IIBD C[C@@H](OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)NCc1ccc(Cl)cc1 781260760 VFIOOLFSPMWVCW-CQSZACIVSA-N 434.879 4.196 5 20 IIBD CC1CCN(c2ccc(C(=O)O[C@H](C)C(=O)Nc3ccc(Cl)cn3)cc2[N+](=O)[O-])CC1 783302215 MUIBSCWBXNPCHG-CQSZACIVSA-N 446.891 4.064 5 20 IIBD CN(Cc1ccccc1)c1ccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 783474095 CUNOJHDQRSIPBI-UHFFFAOYSA-N 438.871 4.462 5 20 IIBD CO[C@H]1Cc2ccc(NC(=O)c3ccn(-c4c(Cl)cc([N+](=O)[O-])cc4Cl)n3)cc2C1 784216365 RDALLIYMLGLAPY-HNNXBMFYSA-N 447.278 4.453 5 20 IIBD CCNC(=O)c1ccc(Cl)cc1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 785879883 JTAPBNKIUQBCNR-UHFFFAOYSA-N 440.681 4.321 5 20 IIBD Cc1cnc(COC(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)c(C)c1[N+](=O)[O-] 789443421 NLOXHJSLIAYFCG-OAHLLOKOSA-N 426.498 4.176 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 790199104 ZMTVAONWORPNHE-GJZGRUSLSA-N 429.498 4.252 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCC[C@@H](O)c1ccc(Cl)c(Cl)c1 790278982 QRLCJWSAEJRXLF-HXUWFJFHSA-N 440.327 4.269 5 20 IIBD CCCCn1ncc(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c1C(C)C 790419952 AFAYXMKGEVOBBG-UHFFFAOYSA-N 445.339 4.278 5 20 IIBD O=C(COC(=O)c1cc(Cl)cc(F)c1Br)Nc1cc([N+](=O)[O-])ccc1F 792701253 VSEIFWPIZRYQCV-UHFFFAOYSA-N 449.591 4.084 5 20 IIBD O=[N+]([O-])c1ccc2nc(/C(Cl)=C/c3ncc(I)s3)[nH]c2c1 794697172 JVXIFLYFDASVFM-DAXSKMNVSA-N 432.630 4.269 5 20 IIBD O=C(Nc1ccc(OC(=O)c2occ3c2CCOC3)cc1)c1cc([N+](=O)[O-])ccc1Cl 794846127 DTFVZKQFDZJONI-UHFFFAOYSA-N 442.811 4.385 5 20 IIBD O=C(COC(=O)/C=C\c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 798301539 XGKSFKBKKZISLB-BAQGIRSFSA-N 428.750 4.462 5 20 IIBD O=C(NCc1c(F)cccc1N1CCCC1)c1cc(F)cc([N+](=O)[O-])c1Br 804129079 FISZGADXGQHQQY-UHFFFAOYSA-N 440.244 4.166 5 20 IIBD O=C(O[C@@H]1CCCN(Cc2ncccn2)C1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 810747030 VEWIKADXSNNVAM-QGZVFWFLSA-N 442.541 4.241 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 812830689 QBUGAVLKJRPDJH-UHFFFAOYSA-N 425.196 4.150 5 20 IIBD COc1c([N+](=O)[O-])cc(NCc2c(F)cc(F)cc2F)c([N+](=O)[O-])c1Br 814925465 DOYBUTRGYNQMIJ-UHFFFAOYSA-N 436.140 4.304 5 20 IIBD O=C(Nc1ccc(OC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)cc1)c1cccc([N+](=O)[O-])c1 915131635 LNGDNDOEDHNIDX-OAQYLSRUSA-N 449.394 4.085 5 20 IIBD CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1 916072042 WCHGJCXYCHRRIN-CQSZACIVSA-N 443.460 4.176 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)c1ccc2ncsc2c1)c1cccc([N+](=O)[O-])c1 918635040 AEYLVBINCZUVAI-KRWDZBQOSA-N 439.493 4.446 5 20 IIBD C[C@@H](Oc1ccc2ccccc2c1)c1nnc(CN2C(=O)COc3ccc([N+](=O)[O-])cc32)o1 1117192038 SWSBCSWEZMWRLV-CQSZACIVSA-N 446.419 4.197 5 20 IIBD COc1ccc([N+](=O)[O-])c(-c2nc([C@@H](NC(=O)OC(C)(C)C)c3ccccc3)no2)c1 1119616289 KLPBLRZBWBOFAC-KRWDZBQOSA-N 426.429 4.268 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CC[C@@H]4OCCC[C@@H]4C3)n2CCc2ccccc2)c1 1321310891 WSXJHLAYLAYBSP-IRLDBZIGSA-N 433.512 4.101 5 20 IIBD O=C(Nc1cc(C(F)(F)F)cc(Br)n1)N1Cc2ccc([N+](=O)[O-])cc2C1 1322935274 QVFIJAQYFQRLBU-UHFFFAOYSA-N 431.168 4.319 5 20 IIBD CC1=C(C(=O)N(C)C)[C@@H](c2cc([N+](=O)[O-])ccc2Cl)NC(=S)N1c1ccccc1C 1337227826 HLGRWJHDVOPIMK-LJQANCHMSA-N 444.944 4.355 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1)c1cc(Cl)ccn1 1790185672 JWHHLCROGATHDG-UHFFFAOYSA-N 439.859 4.033 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Cl)cc1)C2 1800700001 SGPCJWAIAXPPDH-BJWYYQGGSA-N 445.878 4.261 5 20 IIBD CCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3cc([N+](=O)[O-])ccc3s1)CC2 1812594942 JZAFOCZKXISWAT-GFCCVEGCSA-N 444.538 4.292 5 20 IIBD O=C(CCC1CCC1)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])[nH]n1 1815051957 ZWUYEDKBCASSHB-GOSISDBHSA-N 443.479 4.343 5 20 IIBD Cc1ccccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)[nH]n1 1820471944 OQAIUNRATVZPGG-SINXNMPMSA-N 449.467 4.239 5 20 IIBD COc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(C)CCC3)CC2)ccc1[N+](=O)[O-] 1832694589 MIFWBWAYNHBJNA-IBGZPJMESA-N 443.544 4.027 5 20 IIBD Cc1cccc(NC(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1C 3607741 PQLNICPFPFJUGV-UHFFFAOYSA-N 426.450 4.232 5 20 IIBD CCOc1ccc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC 11871274 DHIICIRBFDXNRT-UHFFFAOYSA-N 427.379 4.462 5 20 IIBD COCCN(C(=O)COc1c(C)cccc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 14790480 UPSKSIFXOQMYFR-UHFFFAOYSA-N 441.509 4.394 5 20 IIBD COc1ccc(S(=O)(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1[N+](=O)[O-] 15362193 BXJZHAPVGHUEQM-GOSISDBHSA-N 436.536 4.063 5 20 IIBD Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 15409231 YCVHYCLGUYCABW-UHFFFAOYSA-N 439.493 4.289 5 20 IIBD COc1ccc(C(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)cn1 16260743 KISUSNMUYHGNRX-UHFFFAOYSA-N 427.800 4.123 5 20 IIBD C[C@@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)Nc1ccc(N2CCCCC2)cc1 22047296 CMIZNSAVDRUYML-CQSZACIVSA-N 431.876 4.423 5 20 IIBD O=C(CN1CCc2sccc2[C@H]1c1cccs1)N1CCc2ccc([N+](=O)[O-])cc21 27478375 ZQKJVGHOLBLMSM-NRFANRHFSA-N 425.535 4.255 5 20 IIBD CNc1ccc(C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3F)cs2)cc1[N+](=O)[O-] 29356723 NHXLRTLJDLJUHW-UHFFFAOYSA-N 429.433 4.110 5 20 IIBD O=C(c1cccc2ccccc12)N1CCC[C@H](C(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 57837361 NVTTZJOKYVODPX-IBGZPJMESA-N 429.476 4.190 5 20 IIBD CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCc1ccc(OC(F)F)cc1 60429523 WQMHIRYRLOHRTJ-UHFFFAOYSA-N 433.367 4.138 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC(CN2CCCCCC2)CC1 65308898 UHKWLZGGEHEJTA-UHFFFAOYSA-N 428.558 4.447 5 20 IIBD CC(C)[C@H](c1ccccc1)N(C)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 79035378 ONUUSFPXCDTBTG-QGZVFWFLSA-N 427.320 4.375 5 20 IIBD COc1cc(C(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)c([N+](=O)[O-])cc1OC 109653639 QKBGLZOCMUOIAA-UHFFFAOYSA-N 447.447 4.067 5 20 IIBD Cc1cc(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)n(-c2cc(C(F)(F)F)ccc2Cl)n1 195642380 KAZKMTVLWSQKCJ-UHFFFAOYSA-N 442.785 4.055 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNc3ccnn3C[C@@H]3CCOC3)o2)c(Br)c1 236569677 YQFXLKQEYZZRQP-ZDUSSCGKSA-N 447.289 4.462 5 20 IIBD O=C(Nc1cccc(-c2ccc3c(c2)CCO3)n1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 303418292 XLHIXJYRTHSABM-UHFFFAOYSA-N 430.464 4.444 5 20 IIBD CC[C@@H](OC1CCCC1)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 303505948 NEQHDMSTSJJQFP-GOSISDBHSA-N 429.439 4.000 5 20 IIBD Cc1ccccc1COc1cccc(CC(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 303819924 XISPXKOUDDTFDB-OAQYLSRUSA-N 446.507 4.133 5 20 IIBD Cn1ccnc1SCc1ccc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)o1 427596451 JVIKGZDQKCDKJL-UHFFFAOYSA-N 440.403 4.162 5 20 IIBD Cn1c(=O)ccc2ccc(NC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)cc21 427828345 PMEVABOMYNWAHQ-UHFFFAOYSA-N 431.398 4.064 5 20 IIBD CC[C@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1ncc(-c2ccccc2)[nH]1 427910510 GLKNSOYWESLWOB-KRWDZBQOSA-N 431.452 4.179 5 20 IIBD C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CC[S@@]1=O 430354724 KSELJOIECGRDCK-OIJAAMDRSA-N 438.958 4.383 5 20 IIBD C[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1noc(-c2ccc(Cl)cc2)n1 430482910 JYMARFDQXLWHBT-LBPRGKRZSA-N 425.832 4.130 5 20 IIBD O=[N+]([O-])c1cnc(N2CCC3(CCN(Cc4ccccc4)CC3)C2)c(Br)c1 431477251 KIDCOYTYHBGOMD-UHFFFAOYSA-N 431.334 4.245 5 20 IIBD COCCn1nc(C)c(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c1C 431559169 VAJYLKNZUOYBMV-UHFFFAOYSA-N 447.542 4.223 5 20 IIBD O=C(c1cc(-c2ccc3c(c2)CCO3)no1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 433768307 IHUMGZSQCUOFRS-UHFFFAOYSA-N 447.369 4.389 5 20 IIBD Cc1cc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 435512526 XUAIGNJWFOCHPG-PGRDOPGGSA-N 448.527 4.429 5 20 IIBD COc1cc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)ccc1N1CCCC1=O 435950355 QKLHEKUHWGXIDT-UHFFFAOYSA-N 445.450 4.208 5 20 IIBD COc1ccc(S(=O)(=O)Nc2c(C)cc(Br)cc2Cl)c([N+](=O)[O-])c1 436002417 IWAOYMWHEUTMAA-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD CN(C)[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)C1CCCCC1 436110885 XUHIAUUWWYTGMJ-HXUWFJFHSA-N 427.495 4.200 5 20 IIBD COc1ccc2c(-c3ccccc3)cc(SC[C@@H](O)Cn3cc([N+](=O)[O-])cn3)nc2c1 438785844 WTFKXDBUDRGHMW-KRWDZBQOSA-N 436.493 4.168 5 20 IIBD CN(CCCNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])CC(F)(F)F 440757751 IWNCSFJDDAOANX-UHFFFAOYSA-N 427.448 4.360 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCC(OC[C@H]2CCCCO2)CC1 444171574 WZIVNGPERCCZQH-QGZVFWFLSA-N 438.499 4.011 5 20 IIBD CC(C)CCN1CCC(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 444174408 GLUSEIMAHPQYLM-UHFFFAOYSA-N 441.522 4.447 5 20 IIBD C[C@@H](O)C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1ccccc1 444230594 YYYCQGTZEOPZJJ-GDBMZVCRSA-N 436.458 4.244 5 20 IIBD O=C(NCc1ccnc(OC2CCC2)c1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444293359 SWJHPZYBRWUSEQ-UHFFFAOYSA-N 435.430 4.216 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cccc(NC(=O)c2ccc(C)cc2)c1 444938505 YHZUJSFNXPAYIA-UHFFFAOYSA-N 434.452 4.486 5 20 IIBD CC[C@H](C)c1ccc(NC(=O)Cc2noc(COc3ccc([N+](=O)[O-])c(OC)c3)n2)cc1 445270805 VFYZWGATVWCTFG-AWEZNQCLSA-N 440.456 4.260 5 20 IIBD Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 447648402 BGMXAZHQGUWTOR-UHFFFAOYSA-N 441.438 4.129 5 20 IIBD C[C@@H](c1ccncc1)N(C)C(=O)c1cc(C(=O)N(C)[C@H](C)c2ccncc2)cc([N+](=O)[O-])c1 460670777 JNCOXSSIWAKENN-CALCHBBNSA-N 447.495 4.051 5 20 IIBD COc1ccccc1CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1)C1CC1 461525118 PRHHEQSTPPPNGX-KRWDZBQOSA-N 449.511 4.067 5 20 IIBD CCO[C@@H]1C[C@H](N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCCO2)C1(C)C 461812589 VEAWJTRXMMZJCU-SLFFLAALSA-N 443.548 4.062 5 20 IIBD CSc1nnc(CCCNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)n1C1CCCC1 463954134 YMLZDRIBJOMOTJ-UHFFFAOYSA-N 432.550 4.394 5 20 IIBD O=C(NCc1cc(Cl)ccc1OC(F)F)C1CCN(c2ccccc2[N+](=O)[O-])CC1 465294030 FPLASVYVOZFXNC-UHFFFAOYSA-N 439.846 4.382 5 20 IIBD Cc1ccc(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c(OC[C@@H]2CCCO2)c1 466631280 UCMSPZXCUVEFDH-SFHVURJKSA-N 448.903 4.200 5 20 IIBD Cc1sc(S(=O)(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cc1[N+](=O)[O-] 467050442 XNLJJKRVGJRVAD-SECBINFHSA-N 441.478 4.008 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccnn1Cc1ccc(C(F)(F)F)cc1 467979730 WJBIJEUVOREYNF-UHFFFAOYSA-N 433.390 4.223 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1Oc1ccccc1Cl 467979948 XMYAKLVMTWOLBH-UHFFFAOYSA-N 439.855 4.338 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cc([C@H]3CCCOC3)[nH]n2)cc1 473412684 OIIYREIIIYOTHG-AWEZNQCLSA-N 438.440 4.265 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 473945140 MQEQBWBWALTXKZ-UHFFFAOYSA-N 436.443 4.028 5 20 IIBD Cc1ccc2oc(CN(Cc3ccco3)C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)cc2c1 474110193 NJHMJBVDKRGENV-UHFFFAOYSA-N 447.447 4.201 5 20 IIBD O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N1CCC[C@@H]1c1cccc3ccccc13)OCCO2 477175172 JFCDCZNFYYKTGN-GOSISDBHSA-N 440.477 4.045 5 20 IIBD CSc1ccc(C(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)cc1[N+](=O)[O-] 480408679 GMMUPMWEAUCVKO-DOTOQJQBSA-N 427.309 4.354 5 20 IIBD O=C(N[C@H]1CCN2CCCC[C@H]12)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 481388983 ZDZHRYPZFQEYFR-VQTJNVASSA-N 428.920 4.217 5 20 IIBD CCc1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)cnn1-c1cccc(C(F)(F)F)c1 482735784 SLMCONBDWBCJDZ-UHFFFAOYSA-N 434.374 4.379 5 20 IIBD O=C(NC[C@@H](Cc1cccc2ccccc12)C(=O)O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 486392351 FJYZQOIJUAIQPD-OAHLLOKOSA-N 446.381 4.440 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cn1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 486711754 MWPUJEALOJBYMQ-UHFFFAOYSA-N 439.337 4.436 5 20 IIBD C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCN(Cc2ccccc2)C1 487376627 WWQYSCFYINTDMU-LPHOPBHVSA-N 436.537 4.359 5 20 IIBD COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 488613632 NYBPAJDRHLTTSM-OAHLLOKOSA-N 432.908 4.070 5 20 IIBD COc1ccc(-c2n[nH]c(CNC(=O)c3cc([N+](=O)[O-])ccc3SCC(C)C)n2)cc1 488934431 AKSMNJRUVCKTRC-UHFFFAOYSA-N 441.513 4.067 5 20 IIBD COc1c(S(=O)(=O)Nc2ccc(C)cc2C)cc(Br)c(C)c1[N+](=O)[O-] 491604965 QWVHDYIXNBONCN-UHFFFAOYSA-N 429.292 4.092 5 20 IIBD O=C(Nc1ccc(CN2CCOCC2)cc1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 492985096 QEGFWDQRUYECFE-UHFFFAOYSA-N 446.507 4.291 5 20 IIBD CCOc1ccc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1Br 494038563 PCIXUINMPJAHKB-UHFFFAOYSA-N 425.235 4.026 5 20 IIBD COc1ccc([C@@H](C)NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1Br 496151444 NMYQIZSTXITAOA-GFCCVEGCSA-N 432.274 4.198 5 20 IIBD CCC[C@@H]1CCc2nc(NC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)sc2C1 500364708 XCQTZHVYVGLLDK-CYBMUJFWSA-N 444.513 4.283 5 20 IIBD O=C(Nc1ccc(OCC(F)(F)F)c(Cl)c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 504982068 AYHZLVVOGUFVAD-UHFFFAOYSA-N 447.801 4.255 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 506197809 AZWNMGZGGMIXNP-IAGOWNOFSA-N 435.590 4.058 5 20 IIBD COc1ccc(-c2nc(C)c([C@@H](C)NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)s2)cc1 506253736 JTCMQYDFQKEDEZ-CQSZACIVSA-N 447.538 4.383 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 506382216 PBSKWCPSILHYKG-UHFFFAOYSA-N 446.488 4.169 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCN(CCCc2ccccc2)CC1 507134701 BRYIVJCKBRGGSK-SFHVURJKSA-N 445.947 4.183 5 20 IIBD COc1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])cc2I)c1 508574897 BDZJSNRPQZPCSC-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1ccc2ccn(C)c2c1 509567539 DWUFSEVCJMGDME-UHFFFAOYSA-N 435.221 4.252 5 20 IIBD O=C(Nc1cccc(Br)c1)C1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 510618734 WHNOKUMZIUQYFJ-UHFFFAOYSA-N 447.289 4.240 5 20 IIBD CCCCNS(=O)(=O)c1cccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 512609457 LLHOCSGYKVAFSE-UHFFFAOYSA-N 446.554 4.409 5 20 IIBD COc1cc(Cl)c(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)cc1OC 513776933 NDSSPOUDPTYMPV-UHFFFAOYSA-N 432.782 4.470 5 20 IIBD COc1ccc(CSCC(=O)NCc2ccc(F)cc2C(F)(F)F)cc1[N+](=O)[O-] 514156293 QNMNLPJMULSVMU-UHFFFAOYSA-N 432.395 4.311 5 20 IIBD COc1cc(OC)c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)cc1OC 515624048 JKUFNFMXIUISRZ-UHFFFAOYSA-N 429.454 4.305 5 20 IIBD CCOc1cc(NC(=O)C(=O)N(C)[C@H](C)c2cccc(Cl)c2)c([N+](=O)[O-])cc1OCC 516023138 ITCBRQMZCAYQDG-CYBMUJFWSA-N 449.891 4.204 5 20 IIBD COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CSc2ncccc2[N+](=O)[O-])cc1 516715178 SPBLHUNBJXDBAO-OAQYLSRUSA-N 448.504 4.468 5 20 IIBD O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCc2ccc(O)cc2C1 517972662 QFKBOMDKQRMSEM-UHFFFAOYSA-N 449.429 4.121 5 20 IIBD O=C(Nc1ccc(-c2nc3cc(F)ccc3[nH]2)cc1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 518787849 ABSVBIQOKCGOPZ-UHFFFAOYSA-N 443.398 4.110 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)NCc1cccc(NC(=O)C2CCCCC2)c1 519064569 FWBUYAQUTMWUBH-UHFFFAOYSA-N 439.516 4.025 5 20 IIBD Cc1ccc(NC(=O)Nc2ccccc2)cc1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 520111880 HCWMABNNMNUCHP-UHFFFAOYSA-N 444.444 4.487 5 20 IIBD CN(C(=O)c1cccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c1)c1ccccc1 520682459 PCZAUXFIFBCZQG-UHFFFAOYSA-N 441.447 4.309 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1 521422901 HZVRDXDZZRTMBH-UHFFFAOYSA-N 431.514 4.109 5 20 IIBD C[C@@H](c1ccc(OC(F)(F)F)cc1)[S@@](=O)Cc1cc([N+](=O)[O-])cc2c1OCOC2 521743536 CNDBOPKSKLOCIR-IFHZELBCSA-N 431.388 4.370 5 20 IIBD CCCc1[nH]nc(C(=O)N(C)Cc2ccc(OCc3ccccc3)c(OC)c2)c1[N+](=O)[O-] 521895927 RNBVLZBWKBITHB-UHFFFAOYSA-N 438.484 4.130 5 20 IIBD CCOc1cc(C(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)c([N+](=O)[O-])cc1OC 522521192 ZUXGWPIEYXVTOT-PMERELPUSA-N 434.514 4.302 5 20 IIBD COc1cc(C(=O)N[C@H](COCc2ccccc2)c2ccccc2)cc([N+](=O)[O-])c1OC 524983196 PLSBRFQLGBENNX-HXUWFJFHSA-N 436.464 4.300 5 20 IIBD CC[S@](=O)[C@H]1CCC[C@H](NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 531179222 QWFJFIAIQRHEDA-SZUZZLPFSA-N 429.542 4.017 5 20 IIBD O=C(NCc1cccc(NC(=O)c2ccccc2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 533658423 PFQXJQVQULMNAJ-UHFFFAOYSA-N 444.491 4.377 5 20 IIBD CC(=O)N1CC[C@H](NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c2ccccc21 534573606 RVCGAFDVWPDQAD-NRFANRHFSA-N 444.491 4.435 5 20 IIBD CC(C)c1c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cnn1-c1ccc(C(F)(F)F)cn1 534804627 UKFIKWVYJIVDQW-UHFFFAOYSA-N 435.362 4.276 5 20 IIBD CC[C@@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 535904935 HPQKLZXNSPQEHL-FGZHOGPDSA-N 434.496 4.064 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1cccc(NC(=O)c2cccc(F)c2)c1 536123415 SNFAZLYZINFPCP-UHFFFAOYSA-N 446.438 4.326 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CCS[C@@H]3COCC[C@H]32)cc1 538809798 IAFLIIDPBSEOFD-FGZHOGPDSA-N 436.537 4.154 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccnc(N2CCCCCC2)c1 539015076 RQWBDOJFODVGNH-UHFFFAOYSA-N 432.908 4.109 5 20 IIBD O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1ccc(Br)cc1[N+](=O)[O-] 539150726 YUQLRJDVLBUOND-HOCLYGCPSA-N 443.656 4.410 5 20 IIBD Cc1ccc(OCc2nc(CC(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])cs2)cc1 540893063 FSYVGONAXIZZCE-UHFFFAOYSA-N 445.928 4.494 5 20 IIBD CC(C)[C@@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(Cl)cc1F 542904650 CJDFSMYFMRINMR-GOSISDBHSA-N 442.274 4.284 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1cc(-c2ccccc2)on1 549744930 ZKIZSWQZZVWAEL-UHFFFAOYSA-N 434.374 4.387 5 20 IIBD CC(C)[C@@H]1N(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC12CCC2 557370682 YVXVGALMANLDSN-FQEVSTJZSA-N 443.525 4.046 5 20 IIBD CN(CC(=O)NC(c1ccccc1)c1ccccc1)C(=O)CSc1ccc([N+](=O)[O-])cc1 557866003 BPYJFISAHSFNNV-UHFFFAOYSA-N 449.532 4.051 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)cc1[N+](=O)[O-] 559678983 PVMLJHQLFPDDCC-SNVBAGLBSA-N 445.781 4.271 5 20 IIBD O=[N+]([O-])c1cc2c(N[C@@H]3CCN(c4cccc(OC(F)(F)F)c4)C3)ncnc2s1 561230706 WLLKASQSBYUIFG-SNVBAGLBSA-N 425.392 4.189 5 20 IIBD O=C(CSCc1cc(I)cc([N+](=O)[O-])c1)Nc1ccccc1 564388494 ARKHXTDFQGVNIM-UHFFFAOYSA-N 428.251 4.071 5 20 IIBD O=C(Nc1ccc(OC(F)F)c2ncccc12)N1CCOc2ccc([N+](=O)[O-])cc2C1 564413611 FQWFLSJKNPWVKL-UHFFFAOYSA-N 430.367 4.171 5 20 IIBD CC1CCN(Cc2cccc(CN[C@@H](c3cccc([N+](=O)[O-])c3)c3nccn3C)c2)CC1 569338520 CNGVTWNBUCBGJL-DEOSSOPVSA-N 433.556 4.439 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[C@H](n4cc(Cl)cn4)C3)cc2[N+](=O)[O-])C1 572535537 FEPSPZIXTSHXQQ-DAYGRLMNSA-N 431.924 4.014 5 20 IIBD C[C@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 572906120 XYMSCNGFWPHTAR-SNVBAGLBSA-N 440.681 4.169 5 20 IIBD CCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(Br)cn1 573169165 WSUSOYYSOITJDS-UHFFFAOYSA-N 429.068 4.182 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)c1ccc(Oc2cccnc2)cc1 574936721 FCYZLOWAJGJJBL-KRWDZBQOSA-N 448.479 4.110 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c1 582656548 DKBMNMHHRWKYLQ-SFHVURJKSA-N 444.431 4.060 5 20 IIBD CN(C)c1cccnc1CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 589473494 IYRZFZFQFLIBCZ-UHFFFAOYSA-N 426.860 4.432 5 20 IIBD COc1cc(OC)c(C2CCN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])CC2)c(OC)c1 590031204 WLPFQUVSZQXZQW-UHFFFAOYSA-N 442.512 4.304 5 20 IIBD CCCOc1cc(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)c([N+](=O)[O-])cc1OCCC 603566567 XFUYWAOMCHAMHQ-MRXNPFEDSA-N 447.532 4.292 5 20 IIBD CNS(=O)(=O)c1ccc(N[C@H](c2ccccc2)c2cccc(Cl)c2)c([N+](=O)[O-])c1 603866638 GJNITEYNSCURGP-HXUWFJFHSA-N 431.901 4.358 5 20 IIBD CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 603876025 MOEVQZJNKOHMFZ-FUHWJXTLSA-N 444.702 4.084 5 20 IIBD Cc1c(NC(=O)c2ccccc2)cccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C 603984024 UWXHCUNXJJJFIF-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 604432221 CTRHJIVJNNRASH-UHFFFAOYSA-N 426.281 4.130 5 20 IIBD O=C(NCc1cccc(CN2CCCCCC2)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 604509402 QEPYAVNYVGYXJO-UHFFFAOYSA-N 433.512 4.087 5 20 IIBD CCOc1cc(CCCNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1OC 605481927 XGEZHKQUPVKVOA-UHFFFAOYSA-N 444.531 4.311 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1N1CCc2ccccc21 608876446 MQZNHEBYYLDZAG-MRXNPFEDSA-N 430.464 4.046 5 20 IIBD Cn1ccc2c(NC(=O)N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)cccc21 608892508 GRPWAKOLIZDTOR-UHFFFAOYSA-N 447.417 4.459 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1ccc(Br)cn1 608933544 KSEBWRRWBFLAFQ-UHFFFAOYSA-N 426.226 4.236 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc(OCc2cn3ccccc3n2)cc1 609263685 SUIOBHSBBHQCQI-UHFFFAOYSA-N 441.447 4.415 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCc2ccccc2[C@@H]1c1ccccc1 609405187 PCRVDEGZXLXRRR-NRFANRHFSA-N 435.867 4.361 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1c[nH]n2c1nc(=O)c1ccccc12 609762783 UHIJSTXSOPCUPG-UHFFFAOYSA-N 441.403 4.129 5 20 IIBD O=C(CCSCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Nc1ccc(Cl)cc1 609770790 PDKWNRDUQSLQGO-UHFFFAOYSA-N 435.889 4.308 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 610598014 OXKRYIHFRPIANJ-BETUJISGSA-N 439.356 4.010 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 619598311 BUCIMIJUJUYSGR-HAQNSBGRSA-N 431.297 4.135 5 20 IIBD O=C(CC1CCCCC1)NC1CCC(C(=O)OCCOc2ccc([N+](=O)[O-])cc2)CC1 726023067 CPEMFEKSICNUMJ-UHFFFAOYSA-N 432.517 4.162 5 20 IIBD C[C@@H](OC(=O)c1csc(-c2c(F)cccc2F)n1)C(=O)Nc1cccc([N+](=O)[O-])c1 726217295 ACCSOPKZBKQUQN-SNVBAGLBSA-N 433.392 4.181 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@@H]1CCc2ccc(Cl)cc21 727963466 SRCLTGUWYLOYLA-RTBURBONSA-N 448.928 4.330 5 20 IIBD NC(=O)c1ccccc1COC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 729806803 DOYUFOLMLSOXSE-UHFFFAOYSA-N 439.855 4.316 5 20 IIBD COc1ccccc1C[C@H](C)CC(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730708912 SPIQVHAGFLHVNX-PKOBYXMFSA-N 440.496 4.020 5 20 IIBD O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 731479793 TVHPBUXXYVVIBF-OAQYLSRUSA-N 429.904 4.090 5 20 IIBD COc1ccccc1CC(C)(C)C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 733052971 AZKPYHKKYCEFHP-GOSISDBHSA-N 440.496 4.020 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 735699459 OZPXNINXWOHWSP-VFZGTOFNSA-N 433.675 4.172 5 20 IIBD CN1C(=O)C[C@H](COC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@H]1c1cccc(Cl)c1 737391501 ZXVRUMOTNXULLH-JLTOFOAXSA-N 427.844 4.106 5 20 IIBD COc1cccc(CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)c1OC1CCCC1 742405172 AZNCFALPIADTDT-UHFFFAOYSA-N 427.457 4.494 5 20 IIBD CCC[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 742798869 YSIZVQJBBVFGIE-KKSFZXQISA-N 446.525 4.403 5 20 IIBD O=C(OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCSc2ccccc21 744116014 GNNKFMXYDPAJAJ-RDJZCZTQSA-N 426.494 4.022 5 20 IIBD O=C(COC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)Nc1ccc(F)c([N+](=O)[O-])c1 745348764 RWCWPOPOCUXSBO-KGLIPLIRSA-N 427.215 4.326 5 20 IIBD C[C@H](OC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1nc(-c2ccc(Cl)cc2)no1 746066503 ULNJEIHFBOGAIQ-LBPRGKRZSA-N 439.815 4.402 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 746322404 PENDFZIXCOKZSE-YADHBBJMSA-N 429.492 4.354 5 20 IIBD COc1cc(OC)c(OC)cc1COC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 747623719 SEYKJCMXCGXDBF-UHFFFAOYSA-N 430.438 4.101 5 20 IIBD Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748610691 PWMVYIZZUHHTGA-UHFFFAOYSA-N 426.351 4.457 5 20 IIBD C[C@@H](OC(=O)c1ccc(-c2ccc(F)cc2)n1C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 749326799 BPBISNRPEYSFQX-GFCCVEGCSA-N 429.379 4.063 5 20 IIBD O=C(CSCc1cccc(Cl)c1)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 750434785 YXSNMNKCPBCUFN-UHFFFAOYSA-N 435.933 4.336 5 20 IIBD O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)c1ccc(Br)cc1[N+](=O)[O-] 751019838 FRHCUGRBVGMAII-CQSZACIVSA-N 434.073 4.128 5 20 IIBD O=C(Cc1csc(Cc2ccc(F)cc2)n1)OCc1nc2cc([N+](=O)[O-])ccc2o1 751656332 NSDWMVQBNXTWDV-UHFFFAOYSA-N 427.413 4.208 5 20 IIBD C[C@H](OC(=O)c1ccc(CCC(F)(F)F)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 751886302 FGVDBCPJUFEHSV-NSHDSACASA-N 428.338 4.413 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)c1Br 754032587 WRJLLWSJKDODLQ-LBPRGKRZSA-N 443.342 4.190 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 754095298 SIGXAAUDNMJJIC-GUYCJALGSA-N 448.394 4.360 5 20 IIBD COc1ccc2cccc(CC(=O)O[C@@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c2c1 754306554 NQQYHGKPAUPIGT-ZDUSSCGKSA-N 426.400 4.009 5 20 IIBD C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)Oc1ccc(Cl)cc1 754636851 SGMOBFWZBGFPAV-SECBINFHSA-N 431.645 4.347 5 20 IIBD CC(C)CC(=O)Nc1ccc(C(=O)COC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 755067527 SCJMEHBOKNIVGW-CQSZACIVSA-N 430.432 4.248 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Br)nn1-c1ccc(C)cc1 755123048 SEMRZBSOJOHMCG-UHFFFAOYSA-N 431.246 4.112 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Oc1ccc(C(=O)N2CCc3sccc3C2)cc1 755301292 JBNXVEWUQXYPAC-UHFFFAOYSA-N 436.489 4.393 5 20 IIBD O=C(OCc1ncc(-c2cccc(Cl)c2)o1)c1cc([N+](=O)[O-])ccc1SCCO 763745283 UHGFSHNCPSRJGB-UHFFFAOYSA-N 434.857 4.345 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 764025912 AZZVOWPWEWGWMA-SFHVURJKSA-N 429.517 4.123 5 20 IIBD O=C(NS(=O)(=O)c1ccc(F)c(F)c1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 764564575 UOSIKKJHGDSLHO-UHFFFAOYSA-N 442.465 4.026 5 20 IIBD Cc1c(CNC(=O)N2CCC(O)(c3ccccc3C(F)(F)F)CC2)cccc1[N+](=O)[O-] 765563739 MNVLVJWGYWSSFN-UHFFFAOYSA-N 437.418 4.115 5 20 IIBD CC(C)(C)[C@H]1CN(C(=O)c2c3c(cc([N+](=O)[O-])c2[N+](=O)[O-])OCCO3)c2ccccc21 767229339 KGGFNXWMUJDTRX-ZDUSSCGKSA-N 427.413 4.064 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)c1ccc(OS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 767595244 GSJZFRRABKFKKI-NSHDSACASA-N 428.488 4.010 5 20 IIBD C[C@]1(O)CCN(Cc2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c2)C1 769543425 PKNSJOLOHHVGHQ-IBGZPJMESA-N 446.510 4.221 5 20 IIBD O=C(OCCCc1nc(-c2ccccc2)no1)c1cc(Br)cc([N+](=O)[O-])c1 770156805 KCFSYABIQZPEIC-UHFFFAOYSA-N 432.230 4.197 5 20 IIBD COc1cc(C(=O)Oc2cc(NC(=O)OC(C)(C)C)ccc2C)c([N+](=O)[O-])cc1OC 770218032 UCVTWQQBOZZVID-UHFFFAOYSA-N 432.429 4.487 5 20 IIBD CC(C)C(=O)N(C)Cc1ccc(C(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)cc1 773443543 XDZUMXIJHGAMEM-UHFFFAOYSA-N 449.301 4.329 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1ccnn1C1CCCC1 775092168 WYZKMPYKSMUSSB-UHFFFAOYSA-N 432.502 4.202 5 20 IIBD C[C@@H]1C[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCN1C(=O)OC(C)(C)C 775239474 ZHWONIRAOMUKCQ-NVXWUHKLSA-N 432.521 4.057 5 20 IIBD C[C@@H](OC(=O)[C@@H](c1cccc(Cl)c1)N(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 780106727 RFSCBIUXYFSCGO-PIGZYNQJSA-N 440.283 4.075 5 20 IIBD COC(=O)C[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1cccc(Cl)c1 780839455 LVDAYXFQJFCIKU-NRFANRHFSA-N 434.879 4.369 5 20 IIBD C[C@H](NC(=O)COC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccc(Cl)cc1 781260405 NATLNLCNPZYGLW-AWEZNQCLSA-N 434.879 4.369 5 20 IIBD CC1CCC(N(C(=O)COC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C2CC2)CC1 781268591 OKPYQRKQWFHOMZ-UHFFFAOYSA-N 432.520 4.408 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N[C@H](c1ccc(F)cc1)c1cccs1 783298128 IGUXOHGDFGGCPY-QGZVFWFLSA-N 433.848 4.293 5 20 IIBD O=C(NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)c1cc([N+](=O)[O-])ccc1F 784121396 IUWCWOPFALAKRF-UHFFFAOYSA-N 426.275 4.435 5 20 IIBD COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1Br 786366710 JMJPXRIOSSISCP-MRXNPFEDSA-N 427.682 4.470 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)OCc1ccccc1Oc1cccnc1 786784424 UVAIOBPENICYEY-UHFFFAOYSA-N 431.404 4.453 5 20 IIBD COC[C@@H](C)n1c(C)cc(C(=O)COc2cc(F)c(Br)cc2[N+](=O)[O-])c1C 790291447 BGEFHZXVAKNUDU-LLVKDONJSA-N 443.269 4.384 5 20 IIBD CCOC(=O)c1cc2ccccc2cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 791043065 WZYPBMGXKASUSA-UHFFFAOYSA-N 449.463 4.014 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CC[C@@]4(C)[C@H](C3)C4(Cl)Cl)cc2[N+](=O)[O-])CC1 791191848 HJIVCPAIRHUHLV-HKUYNNGSSA-N 426.344 4.487 5 20 IIBD COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F 791311973 OGFFKTAJRSSTQV-UHFFFAOYSA-N 445.369 4.096 5 20 IIBD COc1ccc(-c2nc(/C=C3/N=C(c4ccc(OC)c([N+](=O)[O-])c4)OC3=O)cs2)cc1 796734552 NRGVRAFRSRLZDT-MHWRWJLKSA-N 437.433 4.080 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 797043871 OZBAWUXIOWIRGK-UHFFFAOYSA-N 432.281 4.370 5 20 IIBD C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 799223335 HVLXHUIVFSOZIW-VXAPYIKBSA-N 426.311 4.151 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 799235055 SQQZCSRZDVBQJU-GJZGRUSLSA-N 436.509 4.151 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC(N2CCc3ccccc32)CC1 800110643 MEMDYRDGVPKFQR-UHFFFAOYSA-N 430.302 4.025 5 20 IIBD C[C@@H](N[C@@H]1CCc2ccccc2OC1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 801570714 IFWRTZAAEAYZET-RHSMWYFYSA-N 438.509 4.029 5 20 IIBD CCCCNC(=O)OC[C@H]1CCCCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 804228772 GQTSNUSEIOOIJG-QGZVFWFLSA-N 446.529 4.239 5 20 IIBD COC(=O)Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c1 804606398 LOEOAUMNJZWQMT-UHFFFAOYSA-N 434.452 4.315 5 20 IIBD C[C@@H](Cc1cncc2ccccc12)C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 805877807 UDRJAIHLNNTKID-FXAWDEMLSA-N 447.491 4.170 5 20 IIBD Cc1ccc(-c2noc([C@]3(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C3)n2)cc1[N+](=O)[O-] 809300311 DZLAIRCEHBZWCW-SFHVURJKSA-N 442.394 4.394 5 20 IIBD COC(=O)Nc1cccc(NCc2cc(I)cc([N+](=O)[O-])c2)c1C 810155683 CSVSBWURCPQEEG-UHFFFAOYSA-N 441.225 4.298 5 20 IIBD Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)cc1S(=O)(=O)NC1CCCC1 813244211 RHPUEDIOJALJID-UHFFFAOYSA-N 437.905 4.030 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC12CCC2 816853542 PWILMOKORRFHEK-MRXNPFEDSA-N 442.516 4.057 5 20 IIBD Cc1cc(C)n(Cc2cccc(-c3noc(CCC(=O)c4cccc([N+](=O)[O-])c4)n3)c2)n1 904525295 IRTMXZXMOLHZFD-UHFFFAOYSA-N 431.452 4.322 5 20 IIBD C[C@@H]1CN(Cc2ccc(C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)cc2)C[C@@H](C)O1 914781244 RDOLTTLMDFGBSY-HZPDHXFCSA-N 431.920 4.130 5 20 IIBD Cc1ccc(-c2nc(COC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)cs2)o1 915235342 WAQKGYNBYWNKMN-UHFFFAOYSA-N 443.437 4.051 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 918876221 XZISVDONLXRLKI-KBPBESRZSA-N 436.917 4.492 5 20 IIBD C[C@H](OC(=O)COc1ccc(C(F)(F)F)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 919396569 SSKJVRGFCKYJFC-NSHDSACASA-N 437.330 4.347 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)CCc1ccc(-c2ccccc2)[nH]1 919598577 YJLVRMBUMQKGEQ-OAHLLOKOSA-N 437.452 4.102 5 20 IIBD Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 920777724 MLEYHFFQLSRLOL-NSHDSACASA-N 427.240 4.159 5 20 IIBD C[C@H](OCC1CC1)C(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 920781655 UPMBNRJRJPRXTR-DJJJIMSYSA-N 432.860 4.286 5 20 IIBD CC(C)(C)OC(=O)N[C@H](c1ccccc1)c1noc(CCNc2ccccc2[N+](=O)[O-])n1 1321814553 MWGYLWIBEAMPIN-LJQANCHMSA-N 439.472 4.247 5 20 IIBD CCCCCn1nc(-c2nnc(-c3cc(OC)ccc3[N+](=O)[O-])o2)c2ccccc2c1=O 1322355373 OXBPQEHNNAQSKK-UHFFFAOYSA-N 435.440 4.221 5 20 IIBD C[C@@H](Oc1ccc2ccccc2c1)c1nnc(-c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)o1 1322406601 LLDRLGUIJZFPEN-CYBMUJFWSA-N 439.449 4.342 5 20 IIBD CCOc1ccc(O[C@@H](C)c2nnc(-c3cccc([N+](=O)[O-])c3N3CCOCC3)o2)cc1 1326059477 AKXXCMMOQOWZHM-HNNXBMFYSA-N 440.456 4.020 5 20 IIBD CN(C)c1cc(F)c(C(=O)NC2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)cc1[N+](=O)[O-] 1327106082 JFEPRMPWYMQPAW-YQQQUEKLSA-N 440.519 4.115 5 20 IIBD Cc1cc(C)n2ncc(C(=O)O[C@H](c3ccc(Br)cc3)C(C)(C)[N+](=O)[O-])c2n1 1342594439 YENUFDNBMAQULE-MRXNPFEDSA-N 447.289 4.062 5 20 IIBD COc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])[nH]4)CCC3)cc2)s1 1787060627 XCAHTVKBIDEOIQ-UHFFFAOYSA-N 440.481 4.055 5 20 IIBD O=C(C[C@@H]1C[C@@H]2CC[C@H]1C2)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1 1790186993 UMRCMRQQENVHQI-IKGGRYGDSA-N 436.512 4.497 5 20 IIBD C[C@@]1(C(=O)NC2(c3ccc(NC(=O)c4cc(O)cc([N+](=O)[O-])c4)cc3)CCC2)CC1(F)F 1790757324 NEKHAPAXVJOMIQ-FQEVSTJZSA-N 445.422 4.093 5 20 IIBD Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H]2CCC[C@@H]2C)C3)cc(Cl)cc1[N+](=O)[O-] 1800712312 ZINLFTIQHPBBIR-RPCVNMKUSA-N 433.936 4.245 5 20 IIBD Cc1ccc([C@@H](C)C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C3)cc1 1801777989 JFMFSAKZKXJLKD-OQIJWPOYSA-N 439.487 4.098 5 20 IIBD CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)n[nH]1 1821291121 PEDQMJSOOBNJJG-INIZCTEOSA-N 433.896 4.386 5 20 IIBD O=C(c1cccc(F)c1[N+](=O)[O-])N1CCC([C@H]2CCCCN2C(=O)c2ccsc2)CC1 1825796490 LUFZJCJPAXDQMJ-LJQANCHMSA-N 445.516 4.343 5 20 IIBD CNc1ccc(C(=O)OCc2csc(-c3ccc(OC)c(OC)c3)n2)cc1[N+](=O)[O-] 9924090 QJBTYRHTJIEHCU-UHFFFAOYSA-N 429.454 4.134 5 20 IIBD O=C(CCc1ncc(-c2ccccc2Cl)o1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 11239966 XZLAJCFUQCFGDG-UHFFFAOYSA-N 440.887 4.185 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 15767541 ILCLHTIHSZFYNA-UHFFFAOYSA-N 439.459 4.050 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 16235394 AIBJHZSCNYKITM-UHFFFAOYSA-N 444.391 4.086 5 20 IIBD Cc1ccc(NC(=O)[C@H](Sc2nnnn2C2CCCC2)c2ccccc2)c([N+](=O)[O-])c1 16371620 PKJZNCCMKINQAV-LJQANCHMSA-N 438.513 4.477 5 20 IIBD C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 17655252 WXKAFOIXOYRGNY-LLVKDONJSA-N 426.433 4.433 5 20 IIBD C[C@H](OC(=O)[C@@H](C)Oc1cccc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 24898114 IFTXJYCQWRWNMF-WDEREUQCSA-N 427.240 4.239 5 20 IIBD COc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 26105845 JSERKYFDFXFLSO-UHFFFAOYSA-N 439.512 4.392 5 20 IIBD CCn1c(SCCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)nnc1-c1cccs1 26221186 AUDTVTGANAPZCS-UHFFFAOYSA-N 433.515 4.064 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1sccc1Br 58766665 YAHCXKHOANAIHL-UHFFFAOYSA-N 427.323 4.295 5 20 IIBD COC(=O)c1cc(C(=O)N(Cc2cccs2)c2ccc(OC)cc2)cc([N+](=O)[O-])c1 60449497 ACTAJDRBDKZZHH-UHFFFAOYSA-N 426.450 4.299 5 20 IIBD CCCCc1nc(-c2ccc(OCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)cc2)no1 63539064 PLTNWAOEZHXQFJ-UHFFFAOYSA-N 426.429 4.014 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@H](c1ccc(Cl)cc1)c1ccsc1 72026950 BCKDWEXMLQBBEK-LJQANCHMSA-N 443.868 4.123 5 20 IIBD Cc1nc2[nH]c(SCc3cc([N+](=O)[O-])cc4c3OCOC4)nc2cc1Br 216432158 UGPCAGTYHKWUHS-UHFFFAOYSA-N 437.275 4.096 5 20 IIBD CC(C)(CNc1ncc([N+](=O)[O-])cc1Cl)S(=O)(=O)c1ccc(Br)cc1 301260110 FXHYDAOBFTYJBU-UHFFFAOYSA-N 448.726 4.070 5 20 IIBD O=[N+]([O-])c1cc(F)c(N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn34)C2)c(F)c1 301783463 KJZNQCGDAAIPAB-JTQLQIEISA-N 427.333 4.319 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NC3C[C@@H](C)O[C@H](C)C3)c([N+](=O)[O-])c2)c(C)c1 301964292 NRCLKOUMADLLBT-HZPDHXFCSA-N 433.530 4.380 5 20 IIBD C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 426273442 HBJYZCBKQMGZJM-GTMAHKLRSA-N 443.447 4.254 5 20 IIBD O=C(O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 426800996 PRCWHCLGUDRCHF-HNNXBMFYSA-N 436.308 4.418 5 20 IIBD CC1(C)CCC[C@H]1N(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 427157511 KIVICVBTWXFTMD-HXUWFJFHSA-N 430.526 4.219 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCOC[C@@H]3[C@@H]3CCCC3=O)cc2[N+](=O)[O-])cc1 427893794 KKDYYTZVEQBXDQ-AZUAARDMSA-N 440.521 4.265 5 20 IIBD CCOC(=O)c1cc(F)c(F)cc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 430627677 UBRIOGJCRYGMBA-UHFFFAOYSA-N 429.173 4.065 5 20 IIBD Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 431062525 QWOFPWHEOPIEDE-UHFFFAOYSA-N 438.406 4.252 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3cccc(Cl)c3OC)CC2)ccc1[N+](=O)[O-] 431960278 LHRQDSUOLRQETA-UHFFFAOYSA-N 434.880 4.010 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCN(C(=O)c2cc3ccccc3s2)CC1 433554366 OOYWRYDOTACWJL-UHFFFAOYSA-N 438.509 4.416 5 20 IIBD CCCOc1cc(NC(=O)N2CCc3ccccc3[C@@H]2CO)c([N+](=O)[O-])cc1OCCC 434221663 YUESKTVSWURCPE-FQEVSTJZSA-N 443.500 4.296 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2nc([C@@H]3C[C@H]4CC[C@H]3C4)cs2)cc1[N+](=O)[O-] 434809991 QYPRKOWCZUIHQR-BFJAYTPKSA-N 428.514 4.079 5 20 IIBD CCOC(=O)[C@H](c1ccc(Cl)cc1)N(C(=O)c1cccc(OC)c1[N+](=O)[O-])C1CC1 435975125 IUNKDQWNKJINLV-SFHVURJKSA-N 432.860 4.166 5 20 IIBD O=C(NCc1ccc2c(c1)OCCCO2)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436371437 QDTNAZOZDOBUOQ-UHFFFAOYSA-N 436.414 4.051 5 20 IIBD CN(C)C(=O)C[C@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])c2ccc(Cl)cc21 436388483 SHMTXKAHOMHZFV-JTQLQIEISA-N 428.798 4.376 5 20 IIBD Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 437349467 SXRZEDPHXNKKBG-INIZCTEOSA-N 439.415 4.076 5 20 IIBD CSc1nnc(CN[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)s1 438298911 KVQRVGWJVAXVPZ-INIZCTEOSA-N 449.945 4.291 5 20 IIBD Cc1c(CC(=O)N[C@H](C)c2nc(-c3ccc(Br)cc3)no2)cccc1[N+](=O)[O-] 438959725 AMZLGNLILCBEGS-GFCCVEGCSA-N 445.273 4.136 5 20 IIBD CN(C(=O)c1ccc(Oc2cccc(Br)c2)nc1)c1ccc([N+](=O)[O-])nc1 439290121 UABGECMOLQDTKC-UHFFFAOYSA-N 429.230 4.216 5 20 IIBD CCCCOC1CCN(c2ccc(C(=O)c3ccccc3C(=O)OC)cc2[N+](=O)[O-])CC1 439357545 MNMHFFZVULXSGF-UHFFFAOYSA-N 440.496 4.398 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](Cc1ccccc1)c1ccccc1 439741536 DOGVYNVHPBJWQQ-FQEVSTJZSA-N 433.464 4.032 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NC[C@H](C)c2c(C)noc2C)c([N+](=O)[O-])c1 443881209 HGYGVTFJHHTXNZ-ZDUSSCGKSA-N 437.452 4.433 5 20 IIBD C[C@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 444850612 PRFIQQJPRPPOBR-VIFPVBQESA-N 438.303 4.258 5 20 IIBD CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1OC 444907532 VNVSXZBGJYCRLF-UHFFFAOYSA-N 444.488 4.261 5 20 IIBD O=c1c2ccccc2c(-c2nc(-c3ccc([N+](=O)[O-])s3)no2)nn1Cc1ccccc1 445473527 NXIMLDJJOGRUPV-UHFFFAOYSA-N 431.433 4.132 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCCCCOc1ccc(F)cc1 445736644 SCKDGCONRTXZQC-UHFFFAOYSA-N 425.254 4.014 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)c(C(F)(F)F)c1 447005351 GBLDPNXHKUUUFO-UHFFFAOYSA-N 443.172 4.316 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)CC[C@@H]2CCCCN2C)cc1 461270965 JSDAPHDKSIBLJY-KRWDZBQOSA-N 427.501 4.342 5 20 IIBD O=[N+]([O-])c1ccc(CN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCOC2)C2CC2)cc1 461428426 QQDIEARTKYKUTC-KRWDZBQOSA-N 437.475 4.198 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@@H](C)c1ccc(F)c(Br)c1 461915571 HKTGPWZCYQYPSD-LLVKDONJSA-N 425.254 4.315 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC(OC2CCCCC2)CC1 462265628 ADSWUTQVTJWIRT-UHFFFAOYSA-N 437.345 4.404 5 20 IIBD CO[C@@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1cccc(Cl)c1 462666649 MODPPDSCWZYJGR-AWEZNQCLSA-N 439.704 4.221 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccco2)Cc2cccs2)c2ncccc12 463668180 IBZWFOXJFXZZNQ-UHFFFAOYSA-N 429.479 4.189 5 20 IIBD Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 463956974 DWMDTGPUEYJJQR-HNNXBMFYSA-N 434.827 4.046 5 20 IIBD CCN(CC)C[C@H]1CCN(C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)C1 464650047 OUBLVDKCWBRUDT-OAHLLOKOSA-N 434.587 4.315 5 20 IIBD O=C(NCc1cccnc1OC1CCCC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465514464 LAOJLQHXNABBOX-UHFFFAOYSA-N 440.500 4.064 5 20 IIBD CC[C@H]1CCCN(C(C)(C)CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 465890000 OFZKSIYREPZPMZ-SFHVURJKSA-N 432.565 4.048 5 20 IIBD COc1ccc(CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C(C)(C)C)c(OC)c1 472475718 HOJKMHKYKPVQBC-UHFFFAOYSA-N 438.484 4.239 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCSC[C@H]2c2cccc(C(F)(F)F)c2)cc1 472703411 LYPJCWQHFFUPKG-KRWDZBQOSA-N 446.472 4.234 5 20 IIBD COc1cc(CN2CCSC[C@H]2c2nccs2)c([N+](=O)[O-])cc1OCC(F)(F)F 473063430 RHVKQHISPHYOEF-ZDUSSCGKSA-N 449.476 4.291 5 20 IIBD CC(=O)Nc1ncccc1NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 474214766 RVCQWKPXVSDYEM-UHFFFAOYSA-N 429.483 4.117 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(OCC2CCOCC2)cc1 477497715 JJLFJMLUSYCHNZ-UHFFFAOYSA-N 433.892 4.418 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ccc(CNc2ccccc2)cc1 478801636 BLNXPVNMDYCXAJ-UHFFFAOYSA-N 438.871 4.229 5 20 IIBD O=C1[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1c1ccc(Cl)c(F)c1 480091883 HQAKAQWOXVWFSH-SFHVURJKSA-N 446.891 4.406 5 20 IIBD C[C@H](N[C@H]1CCN(Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 481191546 QQBUSBHNXJVUJM-GUXCAODWSA-N 430.936 4.075 5 20 IIBD Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 481331156 OSCJSFKGSUFXCN-UHFFFAOYSA-N 439.516 4.242 5 20 IIBD Cc1cc(-c2noc([C@H](C)N[C@@H](C)CC(=O)Nc3ccc([N+](=O)[O-])cc3)n2)ccc1F 483658228 JJCAKIRAKDUOSV-KBPBESRZSA-N 427.436 4.160 5 20 IIBD Cc1cc(NC(=O)NCc2cccc([N+](=O)[O-])c2C)n([C@H]2CCN(Cc3ccccc3)C2)n1 484501007 DBZCQAAJOGDUTG-NRFANRHFSA-N 448.527 4.177 5 20 IIBD O=C(NCc1ccc(COCC(F)(F)F)cc1)c1cc([N+](=O)[O-])ccc1OC(F)F 484805626 CLUPAVZPUBPISV-UHFFFAOYSA-N 434.317 4.205 5 20 IIBD Cc1c(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)nnn1Cc1ccc(F)cc1F 485655047 VYUVJKHXRPEDBC-UHFFFAOYSA-N 441.316 4.092 5 20 IIBD CSc1cccc(C(=O)N[C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)c1[N+](=O)[O-] 486463198 CLSFNFUXDAQSIU-QGZVFWFLSA-N 427.526 4.035 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nnc(-c2cccc(Cl)c2)n1C 488902067 QNARMMZLHRGPOW-UHFFFAOYSA-N 431.905 4.473 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N(C)[C@@H]2CCN(c3ccccc3Cl)C2=O)cc1[N+](=O)[O-] 493266054 ZCKOPBOWDMXSSN-RDTXWAMCSA-N 430.892 4.065 5 20 IIBD CC(C)(C)c1csc(CCNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 494869887 WCBSDRCBVUUXSN-UHFFFAOYSA-N 430.452 4.410 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCC(OC2CCCCC2)CC1 495660041 ZUMALDOGKNQDOI-UHFFFAOYSA-N 430.423 4.490 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1c(Br)cc(F)cc1Br 497839892 TXYBXQOISLOQDL-UHFFFAOYSA-N 432.043 4.440 5 20 IIBD Cn1ccnc1SCc1ccc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)o1 498151927 GALKPDFLPRIQEH-GOSISDBHSA-N 430.511 4.101 5 20 IIBD COc1cc(C(=O)N2CCN(C)CC[C@@H]2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 498738763 MQVBTSKHGZTAQA-AWEZNQCLSA-N 433.892 4.215 5 20 IIBD COc1cccc(Oc2ccc(N[C@@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2)c1 500260548 GJFZNYWYNISNDR-OAQYLSRUSA-N 433.420 4.140 5 20 IIBD Cc1cc(=O)c(C(=O)N2CC3(CCCC3)c3c(F)cccc32)nn1-c1ccccc1[N+](=O)[O-] 501847025 XRSPVKMEZHWWRH-UHFFFAOYSA-N 448.454 4.060 5 20 IIBD C[C@@H](NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1nc(-c2ccccc2)cs1 502644833 UDWXASGLGBICAZ-MRXNPFEDSA-N 437.525 4.311 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCC3(c4ccc(F)cc4)CCC3)cc2)c(C)c1[N+](=O)[O-] 503865961 YGFLWWHYBSGPCX-UHFFFAOYSA-N 436.487 4.447 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CCN(C)CC2)c1 504073042 APHRAEQFSYMCBR-UHFFFAOYSA-N 428.558 4.097 5 20 IIBD O=C(Nc1ncc(C(F)(F)F)[nH]1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 506916473 JKGXZAYNLBZGER-UHFFFAOYSA-N 435.149 4.082 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCCO[C@H]2CCCC[C@H]2C)cc1[N+](=O)[O-])c1ccccn1 507356591 HSSLKALPJGNVIM-JLHGSKIFSA-N 426.517 4.488 5 20 IIBD CCOC(=O)c1ccc(CNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 508174367 RQIFYSSDXJKATK-UHFFFAOYSA-N 442.415 4.199 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCc1cccc(COCC(F)(F)F)c1 511531577 ZTJRPCVFNHIESP-UHFFFAOYSA-N 425.407 4.058 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1ccn(Cc2ccccc2)c1)c1ccccc1[N+](=O)[O-] 514156422 SHULBGUHQXNWIJ-OAQYLSRUSA-N 435.480 4.257 5 20 IIBD Cc1cc(N2C(=O)c3ccccc3C2=O)ccc1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] 515089200 FOLDVYQZNZWQFK-UHFFFAOYSA-N 443.459 4.019 5 20 IIBD COc1ccc(CNC(=O)NCc2ccccc2CN2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] 515454399 WNBTYXJMXMRJRP-QZTJIDSGSA-N 440.544 4.081 5 20 IIBD Cc1ccc(NC(=O)[C@@H]2CCCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])C2)nc1 515501647 JTFNRSANTAQIFT-HXUWFJFHSA-N 444.491 4.384 5 20 IIBD COc1ccc2nc(N(Cc3ccccc3)C(=O)CCn3cc([N+](=O)[O-])cn3)sc2c1 518652612 VMGQPOPTPBBSIU-UHFFFAOYSA-N 437.481 4.033 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F 530603404 KURSYTQSVKVYIM-UHFFFAOYSA-N 447.822 4.158 5 20 IIBD O=[N+]([O-])c1cccc(N2CCN(Cc3nc(O)c4c(-c5ccccc5)csc4n3)CC2)c1 533243304 VGUGVYTXMFZGHD-UHFFFAOYSA-N 447.520 4.294 5 20 IIBD COc1cccc(NC2CCN([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)c1 533310908 NGQHXYCFLJJLFJ-AWEZNQCLSA-N 432.908 4.160 5 20 IIBD Cc1ccccc1CN(Cc1cccnc1)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] 534654799 PYNAJGWDBZAKJE-UHFFFAOYSA-N 441.491 4.470 5 20 IIBD CCN(CC)C(=O)[C@@H](c1ccccc1)[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534796743 UIKNITZRZQVUSU-QJWGWKRISA-N 441.509 4.108 5 20 IIBD CCC[C@H](NCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 536879641 XJTMGQFMHGCCJE-PNCHPQGNSA-N 425.529 4.475 5 20 IIBD Cc1cc(C(=O)NC2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)CC2)c(C)o1 537089349 ZDJPZKWRRRPKSB-UHFFFAOYSA-N 445.541 4.340 5 20 IIBD COCCN(C(=O)c1ccc(C(C)=O)cc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 540692955 JMCAPLMCHTUCOP-UHFFFAOYSA-N 443.456 4.353 5 20 IIBD CC(C)C[C@@H]1C[C@@H](NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CCO1 540760816 RAPJZPCXTVGWHU-YTQUADARSA-N 426.517 4.486 5 20 IIBD C[C@H](NC(=O)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)c1ccc(Br)cc1 540857591 CGVJOZJZCASBFL-ZDUSSCGKSA-N 429.274 4.098 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 542057824 MTOAOYIZPJBQQX-LBPRGKRZSA-N 447.211 4.050 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c1 542748070 YCLVXFFXAMVZGK-LBPRGKRZSA-N 449.476 4.255 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 542788133 JXKIEYMNEYZOFG-UHFFFAOYSA-N 449.554 4.134 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCCC[C@H]2CCCCO2)c([N+](=O)[O-])c1 546879749 JKWDJXMPLFOKNC-QGZVFWFLSA-N 426.469 4.374 5 20 IIBD Cn1cc(CN2CCOc3ccc(Br)cc3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 549849239 VXAKMXQVHBXUIO-UHFFFAOYSA-N 443.301 4.152 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1c(F)cccc1N1CCCC1 553018969 ZEJOEZAZABOXMW-UHFFFAOYSA-N 433.505 4.003 5 20 IIBD CN(CC(=O)NC(c1ccccc1)c1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1Cl 553917174 RCHJOSLHPQBOBA-UHFFFAOYSA-N 437.883 4.226 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cc(Br)cc(Br)c1 557078531 GAIJNJRKWFQXFZ-UHFFFAOYSA-N 442.107 4.435 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 557172343 BPYLIRCKHPMXHC-FQEVSTJZSA-N 438.402 4.277 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1[C@H]2CC[C@H]1Cc1ccccc1C2 557969319 FYLWZEIKWBGPHN-ROUUACIJSA-N 426.538 4.257 5 20 IIBD COc1cc(CN2CC[C@@]3(CCCN(C)C3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 560595568 KOMIZFADNIANSX-XMMPIXPASA-N 425.529 4.100 5 20 IIBD C[C@]1(c2ccc(Br)s2)NC(=O)N(Cc2ccc(Cl)cc2[N+](=O)[O-])C1=O 562890385 WXEQCTIBMZDBNM-OAHLLOKOSA-N 444.694 4.039 5 20 IIBD COCCCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1 564595782 SKMNICMNUFQYCD-UHFFFAOYSA-N 437.290 4.011 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCC[C@@H]2C)cc([N+](=O)[O-])c1C 565612946 PKFFSALYJYVFRH-HNNXBMFYSA-N 431.514 4.027 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 574213983 FKPIZZYFRUINLV-MRXNPFEDSA-N 442.497 4.454 5 20 IIBD COc1cc(C(=O)N(C)[C@@H]2CCCN(C)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 580492152 AFEMMMZTRISNIE-MRXNPFEDSA-N 433.892 4.215 5 20 IIBD COc1cc(CCNC(=O)NCCc2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OC 588622690 RCPMCIHFTJBRAG-UHFFFAOYSA-N 442.299 4.003 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 603446471 UNMYCSBEXLIAPZ-SNVBAGLBSA-N 425.666 4.367 5 20 IIBD COc1ccc(CN(C)C)cc1NC(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 603589765 ACVRDROQQWQJPW-CALCHBBNSA-N 440.544 4.400 5 20 IIBD COc1ccc(CNC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1[N+](=O)[O-] 604105775 YOTIADDGISOQJR-OAHLLOKOSA-N 426.498 4.302 5 20 IIBD Cn1ccc(N2CCC[C@H](Sc3nc4ccccc4c4nc5ccccc5n34)C2=O)n1 607756344 CIWILVOZVFGHTP-IBGZPJMESA-N 428.521 4.057 5 20 IIBD COc1ccc2c(c1)CCCN(C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 609131862 LUFABVIMGSLVPN-UHFFFAOYSA-N 437.418 4.399 5 20 IIBD Cc1c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)nnn1-c1cccc2ncccc12 609426524 UPFCHAFLEITMTF-UHFFFAOYSA-N 430.468 4.083 5 20 IIBD Cc1nn(-c2ccc(Br)cc2)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1C 609871480 GCIDYXRBNFZFFM-UHFFFAOYSA-N 429.274 4.341 5 20 IIBD O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)c1cc(Cl)cc([N+](=O)[O-])c1 609885308 NEOALHMANPZOMY-UHFFFAOYSA-N 438.311 4.175 5 20 IIBD CC[C@@H](c1ccncc1)N(C)c1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] 609964080 FCNACIFKLZODNC-IBGZPJMESA-N 432.546 4.142 5 20 IIBD O=C(c1cccc(F)c1I)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 611001104 KIOGLMYOAYVYAO-UHFFFAOYSA-N 440.212 4.143 5 20 IIBD CN(Cc1ncc[nH]1)[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 611236975 IOAONQFUUNRGKG-HXUWFJFHSA-N 448.508 4.253 5 20 IIBD CCC1(C)CCN(C(=O)c2ccc(OS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)CC1 725725407 XNRUHQRHLTZUAW-UHFFFAOYSA-N 446.525 4.323 5 20 IIBD COCCOc1ccc(C(F)(F)F)cc1NC(=O)CNc1ccc(Cl)c([N+](=O)[O-])c1 727101445 OYAUAVNXFWIYJV-UHFFFAOYSA-N 447.797 4.343 5 20 IIBD CCOc1cn(-c2ccccc2)nc1C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 728680500 APHXKYGIUMRKFJ-AWEZNQCLSA-N 449.423 4.147 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Oc3cc(C(N)=O)ccc3C)cc2[N+](=O)[O-])n1 728841195 LELDMDOCBIKQCY-UHFFFAOYSA-N 429.479 4.137 5 20 IIBD O=C(OCCCOC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1c(Cl)cccc1[N+](=O)[O-] 730647272 XZOUVZWNGKVYPQ-UHFFFAOYSA-N 443.195 4.214 5 20 IIBD CC(C)(C)c1csc(C2CCN([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC2)n1 731479980 GEJOABMMLVZTPY-SFHVURJKSA-N 428.558 4.334 5 20 IIBD COc1cc(-c2nc(COC(=O)CCOc3cc(C)ccc3[N+](=O)[O-])cs2)ccc1O 733442696 DEWUZFLNQWZHCG-UHFFFAOYSA-N 444.465 4.253 5 20 IIBD CCN(C)C(=O)c1cccc(OC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 733765702 SYDVVBUPEICRRB-UHFFFAOYSA-N 442.415 4.403 5 20 IIBD COc1ccc(CCN(CC(C)C)C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cc1OC 734394230 CWQVRTXOFADHPH-UHFFFAOYSA-N 429.517 4.019 5 20 IIBD CCCCn1c(=O)c(CCC(=O)OCc2ccc(Cl)cc2[N+](=O)[O-])nc2ccccc21 734883355 VRGRXVNYRYQTCQ-UHFFFAOYSA-N 443.887 4.434 5 20 IIBD CC(C)c1cc(C(=O)OCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c2ccccc2n1 735339448 FJAIRMWXRDADMJ-UHFFFAOYSA-N 435.436 4.421 5 20 IIBD COc1ccccc1/C=C(/C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 735822174 SFVKLNQMCUGSRF-QCBCRBAMSA-N 444.491 4.252 5 20 IIBD Cn1nc(C(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)cc1C1CC1 741885953 VGDCVWJSNSGKHA-UHFFFAOYSA-N 440.843 4.331 5 20 IIBD COc1c([N+](=O)[O-])cc(NC[C@@H](C)Oc2ccc(C)cc2)c([N+](=O)[O-])c1Br 742419583 IQIVNDDKKARCCS-LLVKDONJSA-N 440.250 4.462 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccc(N2CCSCC2)cc1 743265415 XYRNLFPDHTZIDN-UHFFFAOYSA-N 448.353 4.256 5 20 IIBD Cc1nc(-c2ccc(C(=O)Oc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)cc2)n[nH]1 746106749 ORUFOTWWGDSTPR-UHFFFAOYSA-N 443.419 4.160 5 20 IIBD O=C(COC(=O)c1cccc(Cl)c1[N+](=O)[O-])Nc1cc(C2CC2)nn1-c1ccccc1 750537366 ZOPYPJRVYUPHKR-UHFFFAOYSA-N 440.843 4.107 5 20 IIBD Cc1ccc(C)c(NC(=O)[C@H](C)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c1 750614769 FVCLSCOJEMVLBU-AWEZNQCLSA-N 432.318 4.359 5 20 IIBD Cc1cccc(C(=O)OC[C@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] 751883734 FMTSDKUOFGMEKG-SFHVURJKSA-N 432.395 4.250 5 20 IIBD O=C(OCc1cn(-c2ccc(Cl)cc2)nn1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 753653794 TYXLTORQLQEGNY-UHFFFAOYSA-N 441.856 4.309 5 20 IIBD O=C(CCN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1)Nc1cc([N+](=O)[O-])ccc1F 753922285 ZUWXXUGNBKZVRT-SFHVURJKSA-N 442.274 4.443 5 20 IIBD CCN(Cc1ccc(OC)cc1OC)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754979716 CIAYICLZKRHUFX-UHFFFAOYSA-N 441.253 4.176 5 20 IIBD Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 756076257 LIUIRNOVJQTWFZ-KRWDZBQOSA-N 427.892 4.281 5 20 IIBD Cc1cccc(NC(=O)N2CCC[C@H](C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)C2)c1 756989417 PWPURZBGNGMXJK-HNNXBMFYSA-N 430.892 4.117 5 20 IIBD Cc1ccc(-c2cncc(C(=O)OCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])c2)cc1 758087866 JUKPELIOSOCAFN-UHFFFAOYSA-N 425.828 4.414 5 20 IIBD O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1cccc([N+](=O)[O-])c1Br 758902951 BIPFJGWKBSKSNH-SNVBAGLBSA-N 442.672 4.159 5 20 IIBD Cc1sc2nc(CS[C@@H](C)C(=O)OCCc3ccccc3[N+](=O)[O-])nc(O)c2c1C 762699058 JNDBZUFCMHFLJE-ZDUSSCGKSA-N 447.538 4.330 5 20 IIBD Cc1ccc([C@](O)(Cc2noc(Cc3ccc([N+](=O)[O-])cc3Cl)n2)C(F)(F)F)o1 763309028 YEEXRIDLQDOZMZ-MRXNPFEDSA-N 431.754 4.116 5 20 IIBD COc1cccc(C(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)c2cccc(OC)c2)c1 763504476 HWBNGMWVJYZRAB-UHFFFAOYSA-N 428.391 4.410 5 20 IIBD CC[C@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1)C(OC)OC 763785951 RZYHNMJOQBINQS-AWEZNQCLSA-N 438.864 4.176 5 20 IIBD CCN(CC(=O)Nc1c(C)cccc1C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 764330497 CXGVMYTZZASVDJ-OAHLLOKOSA-N 432.908 4.153 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc([C@H]2COCCN2C(=O)OC(C)(C)C)no1 764914164 AYLZQGOTDKWRTK-DOTOQJQBSA-N 432.477 4.023 5 20 IIBD C[C@@H](Cc1ccc(Br)cc1)C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 766235464 CXYOFFVLXBUWJX-LBPRGKRZSA-N 446.257 4.329 5 20 IIBD C[C@H](OC(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 766770614 KNZYMYORDNVNFV-HERUPUMHSA-N 433.342 4.470 5 20 IIBD O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1CCCC2(C1)OCCO2 768296164 OLGNLNOAZQPXHY-UHFFFAOYSA-N 434.901 4.379 5 20 IIBD COc1cc(CN(Cc2ccccc2)C[C@@H](O)c2cccs2)c([N+](=O)[O-])cc1OC 769545303 OFHFESMHLYSBKV-LJQANCHMSA-N 428.510 4.409 5 20 IIBD O=[N+]([O-])c1cccc(Br)c1OS(=O)(=O)c1cccc(C(F)(F)F)c1 769927654 UOIMWJLDKLHNJH-UHFFFAOYSA-N 426.166 4.144 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)Cc1cc(Cl)ccc1Br 771391148 FOKBWMWIQITJHR-UHFFFAOYSA-N 441.665 4.044 5 20 IIBD C[C@H](N[C@H]1CCN(Cc2ccccc2)C[C@H]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 775691434 VBKPUSRKXMWAKI-GUXCAODWSA-N 430.936 4.075 5 20 IIBD O=C(COC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)N[C@H](c1ccccc1)c1cccs1 778169016 HEYLUXNMFYNESI-LJQANCHMSA-N 446.431 4.197 5 20 IIBD O=C1Nc2cc(Cl)ccc2C1=C1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 778504003 NKQQWDSFAWOCMP-UHFFFAOYSA-N 447.825 4.368 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCC(O)(c2c(F)cccc2F)CC1 779449012 HMTNYNBFAVXVAS-UHFFFAOYSA-N 445.344 4.407 5 20 IIBD Cc1ccccc1[C@H](C)NC(=O)[C@H](C)OC(=O)c1cccc([N+](=O)[O-])c1Br 781675201 BSOHSHAECUNTKR-STQMWFEESA-N 435.274 4.088 5 20 IIBD COc1ccc2cc([C@H](C)OC(=O)COc3cc([N+](=O)[O-])c(C=O)cc3OC)ccc2c1 783541260 ZRKGLXXDXGLJTC-AWEZNQCLSA-N 439.420 4.261 5 20 IIBD COC(=O)C[C@@H]1CN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c2ccccc21 783731410 CKVFDRZWIMVJIQ-GOSISDBHSA-N 446.459 4.481 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 785013552 ANOJAEFSTZVFGY-CQSZACIVSA-N 442.472 4.066 5 20 IIBD O=C(NC[C@H](O)c1cc(F)cc(Cl)c1)Nc1ccc(Br)c([N+](=O)[O-])c1 785882120 HWPPRZRUUWLMBF-AWEZNQCLSA-N 432.633 4.005 5 20 IIBD O=C(O[C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1)c1csc(-c2ncccc2F)n1 787033459 VEIOEVNSHZDZHK-ZDUSSCGKSA-N 446.435 4.217 5 20 IIBD O=C(c1coc(-c2ccccc2)n1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791174420 YQAXPFFNRNVBAL-UHFFFAOYSA-N 428.242 4.211 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])s1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 793105348 WHPDRTDTPJEVRX-MRVPVSSYSA-N 439.421 4.242 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 794750017 ATVLTCNWIKGHCD-UHFFFAOYSA-N 425.363 4.009 5 20 IIBD CCc1[nH]nc(C(=O)O[C@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)c1[N+](=O)[O-] 795614325 XAKANDZLUXZHES-SSDOTTSWSA-N 426.216 4.155 5 20 IIBD O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccc(Cl)c2ncccc12 802064900 FRDVGCCHDGGVFS-UHFFFAOYSA-N 426.860 4.265 5 20 IIBD CN(C(=O)COC(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)c1ccc([N+](=O)[O-])cc1 802613511 FOSQSCUUDCYLPJ-MBXJOHMKSA-N 442.777 4.486 5 20 IIBD CC(=O)c1oc2cc(C)ccc2c1CC(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 805664373 HPFWIKMUOLGBMF-UHFFFAOYSA-N 444.827 4.230 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N1CCCCC[C@H]1c1ccco1 810366415 WAZWBLPRJNZGQO-AWEZNQCLSA-N 436.262 4.033 5 20 IIBD CCn1c(SCc2nc(CCC(C)(C)[N+](=O)[O-])no2)nnc1-c1ccc(Cl)cc1 812814767 PSSVASVJZYULOG-UHFFFAOYSA-N 436.925 4.282 5 20 IIBD COc1cc2c(cc1NC(=O)Cn1cc([N+](=O)[O-])c(=O)c3ccccc31)oc1ccccc12 813578875 JTXHRIOMHRMUMU-UHFFFAOYSA-N 443.415 4.456 5 20 IIBD COc1cc(COC(=O)[C@@H]2CCCCN2C2CCCC2)c([N+](=O)[O-])cc1OC(F)F 815448120 GEUPAJOJSTZFNT-HNNXBMFYSA-N 428.432 4.045 5 20 IIBD CCc1nc2ccccc2n1[C@@H]1CCCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 816309476 WRGNQQLALSTTLJ-LJQANCHMSA-N 444.495 4.170 5 20 IIBD C[C@H](C(=O)O[C@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O)c1ccc([N+](=O)[O-])cc1F 816404609 YSUXVKUSVLJAAS-MNVSYLFESA-N 432.423 4.272 5 20 IIBD Cc1cccc(NC(=O)[C@H](OC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C(C)C)c1C 877866865 NMWOUVNHJUAZTC-OAQYLSRUSA-N 436.468 4.217 5 20 IIBD O=C(NCc1nc(-c2ccccc2OCc2ccccc2)no1)c1cccc([N+](=O)[O-])c1 904466343 LXHRYXAUYHHPIX-UHFFFAOYSA-N 430.420 4.154 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N(Cc1ccc(F)cc1F)C1CCCC1 914517304 HPEREIFJRJZJKW-UHFFFAOYSA-N 445.466 4.295 5 20 IIBD COc1ccc(CSCC(=O)OCC(=O)Nc2cccc3ccccc23)cc1[N+](=O)[O-] 914916789 XWKXSGQBIJXWFE-UHFFFAOYSA-N 440.477 4.172 5 20 IIBD C[C@H]1CCN(C(=O)COC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c2ccccc2S1 917331516 QWXCIQAGTXASSE-ZDUSSCGKSA-N 425.466 4.150 5 20 IIBD O=[N+]([O-])c1cccc(-c2ncn(CN3CCC[C@@H]3c3ccc(Br)cc3)n2)c1 917487564 UNAGHHWUPFCDJY-GOSISDBHSA-N 428.290 4.410 5 20 IIBD O=C(c1cccc(OC(F)F)c1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 919963095 AGTHYPFDYNHTPU-UHFFFAOYSA-N 445.344 4.177 5 20 IIBD COc1cc(C(=O)Oc2cc([N+](=O)[O-])ccc2C)c([N+](=O)[O-])cc1OCc1cscn1 920005517 ORNHMBWYDYBHLC-UHFFFAOYSA-N 445.409 4.075 5 20 IIBD Nc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2)cc1[N+](=O)[O-] 920886640 NMTXOTSDCLMUGU-IBGZPJMESA-N 426.270 4.459 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(C2CCN(C(=O)COc3ccccc3)CC2)n1 1320326762 ISQQXCILEOBUDD-UHFFFAOYSA-N 436.468 4.047 5 20 IIBD COc1cc(CONC(=N)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c([N+](=O)[O-])cc1F 1320390302 VBBXWHHCPNDJMY-SFHVURJKSA-N 448.451 4.007 5 20 IIBD O=C(NCc1ccc(Br)o1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 1320564119 VZZJTHFWJCMBBQ-UHFFFAOYSA-N 433.208 4.245 5 20 IIBD Cc1c(-c2nnc(COc3ccc4ccccc4c3)o2)nnn1-c1cccc([N+](=O)[O-])c1 1324069910 UCLBVGCMPZVQQN-UHFFFAOYSA-N 428.408 4.266 5 20 IIBD CCOC(=O)[C@H](Cc1ccccc1Cl)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 1324101056 PXRCCZNOSNUYEB-HNNXBMFYSA-N 445.686 4.459 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1cccc(Cl)c1 1518404287 QNTHDYBRCPFDOZ-CQSZACIVSA-N 441.665 4.045 5 20 IIBD O=C(NC1(c2ccc(NC(=O)C34CCC(CC3)CC4)cc2)CCC1)c1n[nH]cc1[N+](=O)[O-] 1791981879 ROZPAIREBUPHNB-UHFFFAOYSA-N 437.500 4.036 5 20 IIBD Cc1ccccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3cccc([N+](=O)[O-])c3)CCC1)C2 1799594494 BYZLGGHIKUGSAE-WKCHPHFGSA-N 447.535 4.277 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCC([C@H]2CCCCN2C(=O)C2=CCCC2)CC1 1826276789 XEXXKVAIONQINH-JOCHJYFZSA-N 443.519 4.006 5 20 IIBD NC(=O)c1ccc(COC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)cc1 11742622 HGXURYQLCRCWAN-UHFFFAOYSA-N 439.855 4.316 5 20 IIBD Cc1cccc(Nc2nnc(SC[C@H](O)COc3cccc([N+](=O)[O-])c3)s2)c1C 15232803 CRDVTUVSYDFOKF-OAHLLOKOSA-N 432.527 4.339 5 20 IIBD C[C@@H](OC(=O)Cc1ccc(Br)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 17531121 ZHJLHRLXUBPFBS-LLVKDONJSA-N 432.230 4.254 5 20 IIBD COc1cc(C(=O)Nc2nc3c(OC)cccc3s2)c([N+](=O)[O-])cc1OC(F)F 22086843 XPKHZCYRVXWQAK-UHFFFAOYSA-N 425.369 4.075 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)Cc2csc(C)n2)c2ccccc2)c([N+](=O)[O-])c1 22619198 GWPYQPHRBRUKLV-FQEVSTJZSA-N 425.466 4.134 5 20 IIBD CCCOc1ccc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1OCCC 23133221 JUNIDYWXYCYPPD-UHFFFAOYSA-N 427.501 4.135 5 20 IIBD O=C(Nc1cccnc1)c1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 24912287 DCMORFRGPGKDGF-UHFFFAOYSA-N 431.452 4.095 5 20 IIBD O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)Nc1cc(Cl)ccc1[N+](=O)[O-] 28799149 URLFYODZAXDDDL-UHFFFAOYSA-N 443.916 4.496 5 20 IIBD CC(C)CCSc1ccc(C(=O)Nc2cccc(N3C(=O)CNC3=O)c2)cc1[N+](=O)[O-] 31539635 BYVVSBPWKZKXOL-UHFFFAOYSA-N 442.497 4.042 5 20 IIBD Cc1ccc(C)c(Oc2ccc(CNC(=O)NCCNc3ccc([N+](=O)[O-])cc3)cn2)c1 62047399 KNVCPTJFLCKUSR-UHFFFAOYSA-N 435.484 4.310 5 20 IIBD CCOCCOc1c(Cl)cccc1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 63397834 GTZGEBNWJURRML-UHFFFAOYSA-N 448.907 4.018 5 20 IIBD CCOC(=O)c1ccc(N(CC2CC2)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 64362548 OVQCKGGGIKRERJ-UHFFFAOYSA-N 437.496 4.429 5 20 IIBD CC(C)(CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(Br)cc1 301936528 QHIUGJAUYWYJNB-UHFFFAOYSA-N 433.349 4.212 5 20 IIBD CS(=O)(=O)c1ccc(NCc2nc3c(s2)C[C@H](c2ccccc2)CC3)c([N+](=O)[O-])c1 302214850 OFRSEIUEGFFDGN-OAHLLOKOSA-N 443.550 4.339 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N(CCc1ccccc1)Cc1ccncc1 303082831 AEXKWXGJCYOKJK-UHFFFAOYSA-N 427.464 4.061 5 20 IIBD Cc1cc(F)cc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c1 409462218 DORCJAORDQYABL-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]1c1cc(Br)ccc1OC 427457664 VEKXXFANMTYZSY-INIZCTEOSA-N 435.274 4.352 5 20 IIBD C[C@@H]1CCCN(Cc2ccccc2CNC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 427905996 OZNPWAGAQJTRIU-GOSISDBHSA-N 448.523 4.070 5 20 IIBD CC(C)(CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCc2ccccc2C1 436108096 XEFMOAKRGKYDBE-UHFFFAOYSA-N 425.532 4.248 5 20 IIBD CC(C)(NC(=O)C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 436622775 FJZKRVCIBOWNIT-QFIPXVFZSA-N 447.491 4.213 5 20 IIBD CC(C)Cn1ccc2cc(NC(=O)C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)ccc21 437043232 OUIDIJCUEWMARD-UHFFFAOYSA-N 434.496 4.335 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1noc(-c2cccc(Br)c2)n1 439046211 NKVVDGYCKUQYLQ-UHFFFAOYSA-N 446.261 4.346 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCO[C@H](Cc2ccccc2)C1 444292795 SMXJGCJWUXYYOR-GOSISDBHSA-N 434.442 4.043 5 20 IIBD CCc1[nH]nc(C(=O)N[C@@H](c2ccccc2Cl)c2ccc(OC)cc2OC)c1[N+](=O)[O-] 444298642 OTFYLTONIUFMBL-SFHVURJKSA-N 444.875 4.070 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(C3(c4cccc(Br)c4)CCCC3)n2)n1C 445605627 VIELATQIVFJRJC-UHFFFAOYSA-N 432.278 4.309 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccnn1Cc1ccc(Cl)cc1 445736346 XBRMCCVUUCJEHX-UHFFFAOYSA-N 449.692 4.437 5 20 IIBD COc1cc(Cc2noc(-c3cccc(Oc4ccncc4)c3)n2)c([N+](=O)[O-])c(OC)c1 445816411 WBZASJDHLHBTNK-UHFFFAOYSA-N 434.408 4.440 5 20 IIBD CCNC(=O)c1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c(C)c1 447396946 XZXBDWOEELYPEZ-UHFFFAOYSA-N 433.464 4.484 5 20 IIBD O=C(Cc1noc(/C=C\c2ccc(F)cc2[N+](=O)[O-])n1)Nc1cccc(C(F)(F)F)c1 460151770 QWOKMOAICUKQQW-ALCCZGGFSA-N 436.321 4.487 5 20 IIBD Cc1ccc([C@H](NC(=O)c2ccccc2[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)c(C)c1 460585594 LOZMEAVCFSDOAV-JOCHJYFZSA-N 438.505 4.135 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cc(Br)cc(C(F)(F)F)c1 462178350 CJVGXBPRWKETEG-UHFFFAOYSA-N 448.195 4.435 5 20 IIBD O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CC[C@H](n2cccn2)C1 462398042 PLQPNHDHGCVUAM-KRWDZBQOSA-N 425.876 4.144 5 20 IIBD C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 462489691 ZCOVMAGISJVYDX-INIZCTEOSA-N 441.509 4.170 5 20 IIBD CO[C@@H](CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccc(F)cc1 465391684 YYRWQXNLZUDUIA-NYHFZMIOSA-N 438.459 4.420 5 20 IIBD O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465716927 HFFAWXRHECAICU-AUSIDOKSSA-N 439.512 4.316 5 20 IIBD CC(=O)NCc1ccc(-c2nc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])sc2C)s1 466398157 YGSQXVOYTQHFOF-UHFFFAOYSA-N 434.474 4.116 5 20 IIBD COc1cccc(C(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)c1[N+](=O)[O-] 468580055 GCHSHLZDXGNVSP-HNNXBMFYSA-N 434.290 4.083 5 20 IIBD CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 475549598 STWGYTBKOIYYSS-HNNXBMFYSA-N 444.454 4.256 5 20 IIBD O=[N+]([O-])c1cc(I)ccc1OCc1csc(-c2ccoc2)n1 479191871 JGGIMQMSBZUNBM-UHFFFAOYSA-N 428.207 4.495 5 20 IIBD COC(=O)[C@@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)c(Cl)c1 479238349 WALFMNPISSTORH-KRWDZBQOSA-N 431.659 4.373 5 20 IIBD CCNC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cc1 479720828 YLIISFUZZMAYAQ-UHFFFAOYSA-N 435.505 4.426 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@H](CCc1ccccc1)C(F)(F)F 482053206 UDMNZVHEKLYEPN-GOSISDBHSA-N 433.386 4.202 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)N2CCC(C(F)F)CC2)cc1[N+](=O)[O-] 484734570 FQORDWIQURBFBA-UHFFFAOYSA-N 431.439 4.009 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N1CCN(C2CC2)c2cc(F)ccc21 485756999 HPHNYOPPZULZRO-UHFFFAOYSA-N 426.267 4.187 5 20 IIBD COC(=O)c1cc(NC(=O)N(C)Cc2ccc(OC(F)(F)F)cc2)c(C)c([N+](=O)[O-])c1 486900201 IMVKRIPVDCLUDL-UHFFFAOYSA-N 441.362 4.252 5 20 IIBD Cc1c(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cccc1N1CCNC1=O 487681663 XTJORCJHUBMWTC-UHFFFAOYSA-N 446.463 4.264 5 20 IIBD O=C(NCc1ccc(O)c(Br)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 488686684 OQHRBISEPXROKJ-UHFFFAOYSA-N 434.271 4.116 5 20 IIBD CCn1c(SCCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)nnc1-c1ccc(C)cc1 488875428 DWESPNZFBYJGKT-UHFFFAOYSA-N 441.513 4.311 5 20 IIBD CC[C@H](C)c1nc([C@H](C)NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)n[nH]1 489169493 PKUJVVJEZWKWCR-ZNMIVQPWSA-N 437.504 4.286 5 20 IIBD O=C(NCc1ccc(COC2CCOCC2)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 491001454 ZSNJSQRWZOBPOT-UHFFFAOYSA-N 439.512 4.165 5 20 IIBD O=C(Nc1ccc(C(=O)N2CCOCC2)c(F)c1)c1cc2ccccc2c2cccnc12 494722429 PTHRFGFHIUINCN-UHFFFAOYSA-N 429.451 4.252 5 20 IIBD C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1cc(Cl)ccc1Cl 494776626 DDFYASIQRIXFQN-HZMBPMFUSA-N 442.324 4.445 5 20 IIBD CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1nc(C(F)(F)F)cs1 497742424 RRJMSBPVVRPZCV-LLVKDONJSA-N 435.449 4.036 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCC1(c2ccc(F)cc2Cl)CC1 498781619 JTDSZMLCUVTPHW-UHFFFAOYSA-N 429.835 4.162 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 499247416 HETYYUZGNQQKJQ-FZKQIMNGSA-N 446.410 4.381 5 20 IIBD Cc1ccc(Br)cc1NC(=O)CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 500258061 ONEONDLCZHEESO-UHFFFAOYSA-N 440.681 4.078 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)cc1SC 500418744 AAFSMKJBKNSEAP-CVEARBPZSA-N 429.542 4.060 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(COc3ccc(-c4noc([C@@H]5CCCO5)n4)cc3)n2)c1 504432419 YFAZQURSEMPCCT-KRWDZBQOSA-N 435.396 4.125 5 20 IIBD COc1ccccc1SC[C@@H](C)CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 505073209 FFXCWZOPTBJWMZ-INIZCTEOSA-N 429.542 4.362 5 20 IIBD CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 505633113 JEHSILCVXJDDTF-UHFFFAOYSA-N 436.468 4.274 5 20 IIBD Cc1cc(C(=O)NCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1[N+](=O)[O-] 507389605 FDRWYHCGQKVVME-UHFFFAOYSA-N 449.307 4.309 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)C(C)C 508185637 ZJKPEJLAAJREJR-KRWDZBQOSA-N 433.892 4.141 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC1(Cc2cccc(F)c2)CCOCC1 508723084 ZVILSEPODOZNKV-UHFFFAOYSA-N 436.867 4.064 5 20 IIBD Cc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 508853153 AGOZKJWHOUEVQT-INIZCTEOSA-N 447.495 4.425 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 509719667 NTYHXIWAJAEMCR-SFHVURJKSA-N 442.491 4.415 5 20 IIBD COc1cc(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)ccc1[N+](=O)[O-] 511641187 AQNLNJFWNHUULN-UHFFFAOYSA-N 438.402 4.100 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2F)C2CCCCC2)cc1[N+](=O)[O-] 513410294 HGGFLBPPTRZZEB-UHFFFAOYSA-N 434.489 4.113 5 20 IIBD CCOC(=O)[C@H](C)[C@@H](C)N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 514233054 UPKFEVGNDZNJSA-PJIJBLCYSA-N 433.892 4.105 5 20 IIBD Cc1sc(NC(=O)[C@H]2CCCCN2C(=O)c2ccco2)nc1-c1cccc([N+](=O)[O-])c1 514234011 IFTQCLWBPRZWJN-MRXNPFEDSA-N 440.481 4.253 5 20 IIBD CC(=O)NCc1ccc(-c2csc(NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)o1 514844575 RQCOYAGSODXPBP-LLVKDONJSA-N 446.510 4.067 5 20 IIBD O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cc2cc([N+](=O)[O-])ccc2o1 515159107 BNASZYNXXSFMPG-UHFFFAOYSA-N 435.358 4.449 5 20 IIBD COc1cc([C@@H](C)NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 517101993 OMCGIGWWUSIPBN-QGZVFWFLSA-N 436.464 4.439 5 20 IIBD O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]1c1cccc(Br)c1 517590715 WNISVMDSROXBBW-IRXDYDNUSA-N 427.258 4.285 5 20 IIBD C[C@H](NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1ccc(OCc2cccnc2)cc1 518968435 PDBFJROHERUIIH-HNNXBMFYSA-N 444.447 4.314 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1cccc(NC(=O)c2cccc(F)c2)c1 520100766 PYQAUJICDNPTDZ-UHFFFAOYSA-N 446.438 4.257 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 520245386 ITRGHNYNWQJTEA-CVEARBPZSA-N 438.450 4.322 5 20 IIBD CC[C@H](C)NC(=O)c1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c(C)c1 520553312 ZLFVTOXFDGDVLP-KRWDZBQOSA-N 438.528 4.287 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc(N2CCOCC2)cc1C(F)(F)F 520967523 FUGZEQLUFLEACX-UHFFFAOYSA-N 448.401 4.044 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1 522323575 SXEBURNAVJCPAO-YLJYHZDGSA-N 449.429 4.182 5 20 IIBD O=[N+]([O-])c1ccc(Oc2cccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)c2)cc1 522693626 CDUBDDHJMICSSP-UHFFFAOYSA-N 442.449 4.349 5 20 IIBD Cc1nn(CCC(=O)Nc2nc3c(s2)C[C@H](c2ccccc2)CC3)c(C)c1[N+](=O)[O-] 523278951 JGGTYQBUNQFFKN-MRXNPFEDSA-N 425.514 4.166 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1cc(-c2ccoc2)nn1-c1ccccc1 523458725 WVCNYOARXRQIDX-UHFFFAOYSA-N 444.856 4.495 5 20 IIBD COc1ccc(CC[C@@H]2CCCCN2C(=O)CCNc2ccccc2[N+](=O)[O-])cc1OC 523563861 UOMVRRPDRAYOKH-IBGZPJMESA-N 441.528 4.428 5 20 IIBD CN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(c2ccccc2Cl)C1=O 524838890 IWJOZLIMZQXMOE-HXUWFJFHSA-N 444.919 4.018 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1nccn1Cc1ccc(Br)cc1 530803568 HMXZIQLXZSHWES-UHFFFAOYSA-N 444.289 4.043 5 20 IIBD Cc1ccc(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c(O[C@H]2CCOC2)c1 532074244 ZRJYZTHQAZDTEQ-FQEVSTJZSA-N 425.510 4.484 5 20 IIBD C[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCN1c1nc2ccccc2o1 532949543 AQBZOXPUTGXERU-MRXNPFEDSA-N 433.468 4.144 5 20 IIBD COc1cc(OCC(=O)Nc2ccc(SCc3ccccc3)cn2)ccc1[N+](=O)[O-] 533143198 VQNHQWTZMYSSIU-UHFFFAOYSA-N 425.466 4.308 5 20 IIBD CC(C)COc1cccc(OCC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 533315860 AGNIBDXIVIUCNE-UHFFFAOYSA-N 428.485 4.078 5 20 IIBD C[C@H](NC(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 534234909 LGHXAVUXRBGASG-GQWAEJPESA-N 434.899 4.441 5 20 IIBD O=C(Nc1ccccc1Br)c1cc(I)cc([N+](=O)[O-])c1 535033378 XALPFYIDCYZLEO-UHFFFAOYSA-N 447.026 4.214 5 20 IIBD COc1cc(OCC(=O)N(CCC(C)C)c2nnc(C)c3ccccc23)ccc1[N+](=O)[O-] 536793782 ZRPRXTMKSKMVCA-UHFFFAOYSA-N 438.484 4.313 5 20 IIBD CCOc1cccc([C@H]2C[C@H]2Nc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)c1 537193025 MQBCKYWSYBOIKM-QZTJIDSGSA-N 426.860 4.161 5 20 IIBD COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] 538153869 BVTNHYYVVVIJEA-OAHLLOKOSA-N 428.489 4.101 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](CO)Cc1c(F)cccc1Cl 538271723 SYTLCWYGVDBZAX-ZDUSSCGKSA-N 440.924 4.469 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C 539840432 VVERRQZGPJBSIH-UHFFFAOYSA-N 448.317 4.350 5 20 IIBD Cc1nn(C)c(Oc2cccnc2)c1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 541291205 WNDPHBBKURIXSS-UHFFFAOYSA-N 433.877 4.208 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCc2c(Br)ccc(F)c2C1 542572293 BHOSBSKWFNJDGA-UHFFFAOYSA-N 425.279 4.173 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccc(CN2CCC(CO)CC2)c1 543334038 NNBQRHXSBYAVKM-UHFFFAOYSA-N 449.960 4.183 5 20 IIBD CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 543515877 ARPBBAJKDKSLGX-FUHWJXTLSA-N 437.265 4.489 5 20 IIBD Cc1cc(=O)c(C(=O)Nc2ncc(C3CCCCC3)s2)nn1-c1ccccc1[N+](=O)[O-] 543858776 WUAFPYCIGGNMOX-UHFFFAOYSA-N 439.497 4.206 5 20 IIBD CN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 544484123 ZJYXZXZUGDSUAE-OFNKIYASSA-N 441.503 4.329 5 20 IIBD CN(C)C(=O)c1ccc(-c2noc(CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)cc1 545056464 VSOSEWIVXVBCSR-UHFFFAOYSA-N 449.389 4.020 5 20 IIBD Cc1cc(C)n(-c2ccc(Cc3noc(Cn4ccc5cc([N+](=O)[O-])ccc54)n3)cc2)n1 545538124 KXHXADVMKTURQD-UHFFFAOYSA-N 428.452 4.374 5 20 IIBD O=C(c1ccccc1)N(Cc1noc(CCOc2ccc(Cl)cc2[N+](=O)[O-])n1)C1CC1 545725298 DNMIKSOUNRCTQC-UHFFFAOYSA-N 442.859 4.058 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CCc3c2cccc3C(F)(F)F)ccc1[N+](=O)[O-] 546064744 FHKOLVAUZRQLKJ-IBGZPJMESA-N 447.413 4.116 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc(C(=O)OC)cc3)cs2)c1 548956414 ARJKKWXYRPVDPK-UHFFFAOYSA-N 427.438 4.156 5 20 IIBD C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1 551230625 ALUBGNVLIBLFKP-JOPVOSQUSA-N 434.496 4.013 5 20 IIBD O=C(CNC(=O)c1ccc(Cl)cc1Cl)Nc1cc(Br)cc([N+](=O)[O-])c1 551357386 HGENDAWKEKZELU-UHFFFAOYSA-N 447.072 4.033 5 20 IIBD CC(C)CC(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 551755308 XOYTURXSFNXJLH-UHFFFAOYSA-N 440.500 4.454 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(OCC(F)(F)F)cc1 552849774 YVWPVFSDRPFSFD-CHWSQXEVSA-N 441.406 4.222 5 20 IIBD CNC(=O)c1cc(Oc2cccc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)c2)ccn1 553779745 BKDWXPOLZXCTGU-UHFFFAOYSA-N 434.452 4.058 5 20 IIBD Cn1ccnc1[C@H](N[C@@H]1CCCN(c2ccccc2Cl)C1)c1ccc([N+](=O)[O-])cc1 556868503 WPZJOMUYPUPMHS-DYESRHJHSA-N 425.920 4.330 5 20 IIBD Cc1cc(OCc2nc(-c3cc(Cl)ccc3O[C@@H]3CCOC3)no2)ccc1[N+](=O)[O-] 558355746 ZTBMTVLTFYLDPE-OAHLLOKOSA-N 431.832 4.353 5 20 IIBD O=C(N[C@@H](c1ccc(Cl)cc1)C1CCC1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 561313403 LSMFTZHFPKDWQO-OAQYLSRUSA-N 441.915 4.397 5 20 IIBD Cc1nc(C)c([C@@H](C)N(C)Cc2cc(I)cc([N+](=O)[O-])c2)s1 562029930 RZALPKHCFUZBOA-SNVBAGLBSA-N 431.299 4.466 5 20 IIBD O=C(Nc1c(O)cccc1Cl)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 566001215 MJBNAAAXULECBR-UHFFFAOYSA-N 447.856 4.007 5 20 IIBD C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 567640683 DTHMNKZEUJSEAN-ZDUSSCGKSA-N 438.513 4.184 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1c2ccccc2CC12CCOCC2 569417480 NVFUYJCNLBYNJW-FQEVSTJZSA-N 429.904 4.184 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N[C@H](c1ccc(F)cc1)c1cccs1 570032730 JANKJVCFKHGJJQ-LJQANCHMSA-N 425.445 4.261 5 20 IIBD COCC[C@H](NC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 573344981 NJGBSPDRQPUBQI-HNNXBMFYSA-N 443.283 4.426 5 20 IIBD O=C(Nc1cc(C(=O)N2CCCCC2)ccc1Cl)c1n[nH]c2ccc([N+](=O)[O-])cc12 573752213 VYMJQHRJLIVZHP-UHFFFAOYSA-N 427.848 4.003 5 20 IIBD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NC[C@H]2CCN(c3ccc(Br)cc3)C2)n1 583123368 BLHMSBXZLPECHL-ATZDWAIDSA-N 448.365 4.154 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1 591335564 IGYZQZBVWLQBTK-UHFFFAOYSA-N 440.419 4.295 5 20 IIBD CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCc1csc(-c2ccco2)n1 603725717 APLSMIYCPKPINU-UHFFFAOYSA-N 440.437 4.253 5 20 IIBD Cc1cc(C(=O)NC2CCCCC2)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C 603982055 VRIKIYQSCVWMHF-UHFFFAOYSA-N 431.514 4.075 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NC[C@H]1Cc2ccccc21 604107508 DOIUCDLZAQZMER-HXUWFJFHSA-N 438.487 4.446 5 20 IIBD C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 609104780 BJCWRATTZPSZAQ-KRWDZBQOSA-N 439.537 4.173 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)Nc1cccc(Sc2ccccc2)c1 609402651 FRJMPTGKBSGGMS-UHFFFAOYSA-N 437.477 4.010 5 20 IIBD CCCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)[C@H](c1ccc(F)cc1)c1cccnc1 609522929 UBCWGGAGEMKUQS-JOCHJYFZSA-N 425.464 4.052 5 20 IIBD Nc1c(C(=O)Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)cc(F)cc1[N+](=O)[O-] 609702627 HISAHWBDUQKGJS-PMERELPUSA-N 427.457 4.017 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(CS(=O)(=O)c2ccccc2)c1 609786515 NIZQXTBIALGZGR-UHFFFAOYSA-N 444.896 4.403 5 20 IIBD O=C(Cc1csc(-c2ccccc2Cl)n1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 609840073 COHHAFKDFHEIMK-CYBMUJFWSA-N 443.916 4.022 5 20 IIBD Cc1ccc([C@@H]2CCCCN2C(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cc1 610179526 NAVBRFUEQNRDKB-IBGZPJMESA-N 432.480 4.125 5 20 IIBD CCCOc1cc(NC(=O)N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OCCC 610415722 GYPIXRXQAKATPC-SJKOYZFVSA-N 449.426 4.356 5 20 IIBD COc1cc(I)c(Cl)cc1C(=O)N(C)c1cccc([N+](=O)[O-])c1 611091524 LVSSFLVPZJQYEA-UHFFFAOYSA-N 446.628 4.138 5 20 IIBD Cc1nn(Cc2ccc(-c3nc(Cc4ccc5c(c4)CCO5)no3)cc2)c(C)c1[N+](=O)[O-] 612912053 OPEBIKBZJIMGBK-UHFFFAOYSA-N 431.452 4.032 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc([C@@H]3CCc4ccccc43)no2)c(I)c1 612932860 GQDLYQWLGPJBJQ-CYBMUJFWSA-N 433.205 4.328 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc2ccccc2n1C1CCCCC1 619506928 INSFCWADALCFSL-UHFFFAOYSA-N 430.486 4.259 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CCOC1 619858348 DFJNKGWDTWVSAS-KRWDZBQOSA-N 444.495 4.074 5 20 IIBD C[C@H](CC(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1F 726840741 FSDJUYGCSRBXIK-LLVKDONJSA-N 428.338 4.428 5 20 IIBD O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)c1cc(F)c(F)cc1[N+](=O)[O-] 727709561 TYXBIQTVODCBRG-UHFFFAOYSA-N 435.390 4.051 5 20 IIBD COc1ccccc1[C@H](C)CC(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 728663878 OKJKBYGQVGHUIZ-GFCCVEGCSA-N 440.374 4.298 5 20 IIBD O=C(Nc1cc(F)ccc1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccoc1 729529090 MSEJUXCKLMYXEN-UHFFFAOYSA-N 435.371 4.222 5 20 IIBD CC[C@H](c1ccccc1)c1nnc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)s1 730201545 CILDJPFXMZVHNX-CQSZACIVSA-N 427.442 4.457 5 20 IIBD COc1cc(C(=O)Oc2ccc(C(=O)N3CCc4sccc4C3)cc2)ccc1[N+](=O)[O-] 731332636 BNJFEXAOJMVLST-UHFFFAOYSA-N 438.461 4.083 5 20 IIBD O=C(O[C@@H](c1cncc(F)c1)C1CCCCC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 731776691 JAOFWBNTXVQARE-HXUWFJFHSA-N 425.420 4.188 5 20 IIBD CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 731900955 LXBZQMIQNVHHTG-UHFFFAOYSA-N 448.564 4.011 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@H](c2nnc(S)n2C2CC2)C1 732169856 QFBLDGMCKZLMRM-NSHDSACASA-N 429.527 4.044 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c1 733402254 AULKYPGAYYTDMO-MRXNPFEDSA-N 440.399 4.298 5 20 IIBD CCOC(=O)N1CCC(NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 735369544 ZGSHTIXKUCDWNQ-UHFFFAOYSA-N 428.445 4.130 5 20 IIBD Cc1cc(COC(=O)c2ccc([N+](=O)[O-])cc2I)c2ccccc2n1 735889501 JFSWYTDFCBDMAO-UHFFFAOYSA-N 448.216 4.413 5 20 IIBD O=C(Nc1ccc(COC2CCCC2)cc1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 739669229 RDFJTDMVOSFAND-INIZCTEOSA-N 441.459 4.185 5 20 IIBD CN1CCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2Cl)CC1 742603573 AEWVJIJYFPZMQK-UHFFFAOYSA-N 442.825 4.271 5 20 IIBD CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 744118018 WHBMLODJMGSPEE-OOSNJVJTSA-N 432.517 4.117 5 20 IIBD O=C(OCc1ccccc1OCC(F)(F)F)C1CCN(c2ccccc2[N+](=O)[O-])CC1 744471086 OFZVCFVKVUZMCJ-UHFFFAOYSA-N 438.402 4.496 5 20 IIBD CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 747314830 KRCGXFLVAUDZJZ-UHFFFAOYSA-N 448.545 4.341 5 20 IIBD O=C(OCC(=O)N1CCSc2ccccc21)c1csc(-c2cccc([N+](=O)[O-])c2)n1 747961008 CEWGBBCOMWOLTP-UHFFFAOYSA-N 441.490 4.014 5 20 IIBD Cc1c(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748620377 CSGMHNIFESENGD-UHFFFAOYSA-N 446.847 4.262 5 20 IIBD CC[C@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)c1ccc(Cl)cc1 748950182 INMWHBVWZSDAMP-INIZCTEOSA-N 449.847 4.198 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3ccc(-n4cncn4)c(Cl)c3)cc2[N+](=O)[O-])CC1 749144586 SRWLLCGHHMWEAK-UHFFFAOYSA-N 440.891 4.318 5 20 IIBD CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1 750166817 BKSUCGXIEHAYRV-UHFFFAOYSA-N 439.921 4.148 5 20 IIBD Cc1ccc(NCCCNC(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)c([N+](=O)[O-])c1 751097075 MNEOIPHBVXKCCF-QFBILLFUSA-N 432.546 4.064 5 20 IIBD Cc1cccc(C(=O)OC[C@@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] 751883733 FMTSDKUOFGMEKG-GOSISDBHSA-N 432.395 4.250 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCC2([C@@H](O)c3ccccc3)CC2)cc1[N+](=O)[O-])c1ccccn1 752346907 MGGBMRUWRUQXSM-SBUREZEXSA-N 446.507 4.407 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCN(C2c3ccccc3-c3ccccc32)CC1 752376961 UEARSZXDCFMIIZ-UHFFFAOYSA-N 444.447 4.031 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 753627982 BUTFDVXEVILTBD-IBGZPJMESA-N 436.468 4.218 5 20 IIBD O=C(Nc1cccc(CCC(F)(F)F)c1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 753714396 SZYPVBMIIMGURD-CYBMUJFWSA-N 439.365 4.220 5 20 IIBD CC1CCN(C[C@@H]2CCCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)C2)CC1 754636930 SNIXRKLZZHKALT-AWEZNQCLSA-N 442.329 4.081 5 20 IIBD CCCOc1ccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1OC 754983139 YIYTZPNNOZTYCQ-UHFFFAOYSA-N 441.253 4.224 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN(Cc3ccccc3)C[C@@H](O)c3cccs3)o2)cc1 756058039 SOKNUIRDIOAAJK-LJQANCHMSA-N 436.493 4.442 5 20 IIBD CCOc1cc(N2CCC(OC(=O)CCSc3ccccn3)CC2)ccc1[N+](=O)[O-] 756289640 KEBIUYGCVOJTDJ-UHFFFAOYSA-N 431.514 4.083 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)CN(Cc1ccccc1)c1ccccc1 757862150 MILKYXKUWXJIOU-UHFFFAOYSA-N 433.464 4.092 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)OCc1nnc(-c2ccc(Cl)cc2Cl)o1 758080526 ZJPRGFSZLOQMHD-UHFFFAOYSA-N 427.175 4.030 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Oc2ccc(N(C)C(=O)OC(C)(C)C)cc2)c1 758472868 KLNPPURFGFZISI-UHFFFAOYSA-N 436.486 4.351 5 20 IIBD CC1CCN(c2ccc(-c3nc(-c4cccc(-n5ccnc5)n4)no3)cc2[N+](=O)[O-])CC1 762214806 MBIDSNIIIMMELF-UHFFFAOYSA-N 431.456 4.129 5 20 IIBD Cc1c(Cc2noc(-c3csc(CNC(=O)OC(C)(C)C)n3)n2)cccc1[N+](=O)[O-] 762321908 USOJJQFDEVUGNR-UHFFFAOYSA-N 431.474 4.025 5 20 IIBD Cn1cc([C@H](O)CNC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)cn1 762526410 SCHUQEAHMGLCCT-HSZRJFAPSA-N 425.488 4.130 5 20 IIBD C[C@@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccc(N2CCCC2)cc1 763002350 ZUWKPXZMFJMQHG-OAHLLOKOSA-N 443.475 4.182 5 20 IIBD COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1cc(F)c([N+](=O)[O-])cc1F 763444019 QDADJFYELWQFFO-HNNXBMFYSA-N 433.194 4.166 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1OC(F)F 763809474 BCSBTMFXQZZVJA-NSHDSACASA-N 440.424 4.492 5 20 IIBD O=C(COC(=O)CCc1cncc2ccccc12)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 765562573 WCEYCENXISGFPC-UHFFFAOYSA-N 447.369 4.276 5 20 IIBD O=[N+]([O-])c1ccc(F)cc1OS(=O)(=O)c1c(Cl)cc(F)cc1Br 767224608 MYPQYCJTXWCPOX-UHFFFAOYSA-N 428.594 4.057 5 20 IIBD CCCC[C@@H](OC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)Nc1cc(C)on1 770155969 DXSMCWOANLRNLN-CQSZACIVSA-N 440.250 4.008 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)Cc2ccc(C)c(O)c2)c2ccccc2)c([N+](=O)[O-])c1 772159723 ZRKWFNGEUFCHKI-HSZRJFAPSA-N 434.448 4.383 5 20 IIBD CC1CCC(N2C[C@@H](C(=O)O[C@H](c3cccnc3)c3ccccc3[N+](=O)[O-])CC2=O)CC1 776137474 JFONGFLVLICNEH-KLAADDQFSA-N 437.496 4.050 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1 777976953 VHXSXZDNXDTSCQ-OAHLLOKOSA-N 445.472 4.056 5 20 IIBD O=C(Nc1cccc(CSc2ccccn2)c1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781635178 FRCWAXUTFYKRLD-FQEVSTJZSA-N 434.477 4.414 5 20 IIBD C[C@H](OC(=O)c1cccc([N+](=O)[O-])c1Br)C(=O)N1c2ccccc2CC[C@H]1C 781673899 XWHGVOGGSVVOPZ-OLZOCXBDSA-N 447.285 4.271 5 20 IIBD Cc1ccc([C@H](C)N[C@@H]2CCOC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 783638625 VQQSUXWDLJWQDH-FFGOWVMKSA-N 433.549 4.358 5 20 IIBD Cc1ccc(-c2nnc([C@H](C)OC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)o2)cc1C 785679034 UJJARUCZHUPQNL-HNNXBMFYSA-N 433.424 4.365 5 20 IIBD Cc1nn(-c2ccccc2)cc1CCCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790529062 AAMAAVBWMIKDOK-UHFFFAOYSA-N 430.867 4.173 5 20 IIBD CCOc1cccc(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c1OC(F)F 790559624 OQQFGVCBRUKYEJ-UHFFFAOYSA-N 432.782 4.246 5 20 IIBD COc1cc(COc2ccc(Br)cc2C=O)c([N+](=O)[O-])cc1OC(F)F 791204310 IVYXBHDCFCJELA-UHFFFAOYSA-N 432.173 4.359 5 20 IIBD O=C(N[C@H]1c2ccccc2CC12CCOCC2)c1cc(F)cc([N+](=O)[O-])c1Br 793878280 UZZAVUPYECNKLC-SFHVURJKSA-N 449.276 4.320 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2-c2csc(C)n2)cc1[N+](=O)[O-] 794606983 FDYCXBJCXKOVJO-UHFFFAOYSA-N 448.482 4.006 5 20 IIBD COc1ccccc1O[C@@H]1CCCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 796568689 VJMOIDXNSAKANJ-GOEBONIOSA-N 433.892 4.127 5 20 IIBD CCc1ccccc1-n1cc(O)c(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1 801418759 VGMXMCDASHEULD-ZDUSSCGKSA-N 449.423 4.017 5 20 IIBD CC1(C)CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])[C@H]1c1cccs1 805149401 FETZSTJBQPHZFF-AWEZNQCLSA-N 431.333 4.191 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@@H](c2nc(-c3c(Cl)nc4cc(Cl)ccn34)no2)C1 809530381 RQGZIKJKANSUKZ-CYBMUJFWSA-N 445.222 4.465 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)N(CCO)Cc1cc(Br)ccc1F 809916092 WEIWQGXSIMUXDT-UHFFFAOYSA-N 446.660 4.176 5 20 IIBD C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl 809921021 CBSHBADITLIYHI-AWEZNQCLSA-N 445.907 4.387 5 20 IIBD C[C@@H](Nc1ccc(C(=O)OCc2ccnc(-n3cccn3)c2)cc1[N+](=O)[O-])c1ccccn1 810869891 KBFRAVGPWWJACI-MRXNPFEDSA-N 444.451 4.101 5 20 IIBD O=C(NCCC1CCN(CC(F)(F)F)CC1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813473157 ZPCNXBQBCQHKTE-UHFFFAOYSA-N 428.238 4.296 5 20 IIBD CC(C)(C)OC(=O)NCCCOC1CCN(c2ccnc3c([N+](=O)[O-])cccc23)CC1 814363572 NBUPYSAGMKXDAC-UHFFFAOYSA-N 430.505 4.043 5 20 IIBD O=C1CC[C@]2(C(=O)OCc3cc([N+](=O)[O-])ccc3C(F)(F)F)Sc3ccccc3N12 815183774 CXUCXRLFCYWUSR-GOSISDBHSA-N 438.383 4.286 5 20 IIBD O=[N+]([O-])c1cc(F)c(S(=O)(=O)Nc2ccc(Sc3nncs3)cc2)cc1Cl 821163107 GBPFGDCNTOKANW-UHFFFAOYSA-N 446.894 4.191 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C(=O)Nc1ccc(F)cc1Cl 846284951 QXBGDMDHVUAEKW-GFCCVEGCSA-N 435.839 4.172 5 20 IIBD O=C(Nc1ccc(OC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)cc1)c1cccc([N+](=O)[O-])c1 915131634 LNGDNDOEDHNIDX-NRFANRHFSA-N 449.394 4.085 5 20 IIBD Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c(Cl)c1 915511572 HKCYYNLZYINESI-CQSZACIVSA-N 442.859 4.235 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(C2CC2)nc2onc(C(C)C)c12 915579158 XBQAJVKRCGYILU-UHFFFAOYSA-N 438.440 4.236 5 20 IIBD COc1cc(Br)c(COC(=O)c2cc3cc([N+](=O)[O-])ccc3[nH]2)cc1OC 917329454 UQYGGRPWDDPJEQ-UHFFFAOYSA-N 435.230 4.213 5 20 IIBD O=C(COC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)N[C@H](c1ccccc1)c1cccs1 917331528 RCQPDEVJQSNKKL-OAQYLSRUSA-N 435.461 4.200 5 20 IIBD O=C(COC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)Nc1ccc2c(c1)OC1(CCCC1)O2 919209520 CFMGIOBFGSVDOV-UHFFFAOYSA-N 438.392 4.178 5 20 IIBD C[C@@H](OC(=O)c1ccc(-c2cnco2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 919498106 ONBDLDIWSXXJIC-LLVKDONJSA-N 449.341 4.453 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(-c3nnc(CNC(=O)OC(C)(C)C)o3)cc2[N+](=O)[O-])C1 1117243931 MKFUSCREZXALCQ-ZIAGYGMSSA-N 431.493 4.152 5 20 IIBD COc1ccc2c(c1)c(C(=O)N1CCN(Cc3cccc([N+](=O)[O-])c3)CC1)c(C)n2C1CC1 1318077356 LTUYFZKBBTXHCD-UHFFFAOYSA-N 448.523 4.159 5 20 IIBD Cn1c(CSCc2cc([N+](=O)[O-])cc3c2OCOC3)nnc1-c1ccc(Cl)cc1 1320329205 JUWSNAZOGIPVRX-UHFFFAOYSA-N 432.889 4.344 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 1324606458 CCNREOLMECJXOO-LBPRGKRZSA-N 429.274 4.253 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CSCc2nccn2C(F)F)c1 1327594692 AKIQQHYPKQUITK-UHFFFAOYSA-N 425.198 4.224 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](CCC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 1330116018 YONMKUFYPKOSIX-FQEVSTJZSA-N 425.485 4.483 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)C34CC(F)(C3)C4)CCC2)cc1)c1ccc([N+](=O)[O-])cc1F 1790622727 RCMBKZSATBKRJM-UHFFFAOYSA-N 441.434 4.374 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1ccc(C2(NC(=O)C34CC(C3)C4)CCC2)cc1 1791183849 LHJUESZPEPJURT-UHFFFAOYSA-N 437.471 4.211 5 20 IIBD Cc1ccc(C)c(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C3)c1 1801754477 DEUSMGCYVIHGGD-NUNAXRQHSA-N 449.551 4.025 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1)c1cccc(Cl)c1 1820497251 DNJMVVQTEKJKNG-HNNXBMFYSA-N 443.847 4.184 5 20 IIBD Cc1cc(F)ccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823615765 MORKJIQYOBSHBH-LJQANCHMSA-N 443.475 4.182 5 20 IIBD CCC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)CCC1 1828473705 SOJFQDWSMOBFAW-QFIPXVFZSA-N 441.572 4.337 5 20 IIBD Cc1csc2nc(COC(=O)c3ccc(SCCC(C)C)c([N+](=O)[O-])c3)cc(=O)n12 10277366 CZKIJPVNEKKXJN-UHFFFAOYSA-N 447.538 4.468 5 20 IIBD O=C(COC(=O)c1ccccc1C(F)(F)F)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 10648036 MPHXEHMCCLWGJC-UHFFFAOYSA-N 436.264 4.428 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCN(c2nccs2)CC1 10673711 JLTIERQPMAJVRY-UHFFFAOYSA-N 444.900 4.459 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)NCc1ccc(-c2nc3ccccc3s2)o1 10912336 MDNVZQXFUTVICY-UHFFFAOYSA-N 437.481 4.376 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2C(=O)c2ccccc2)c([N+](=O)[O-])c1 15643557 JYAIAVLMNKICJS-OAHLLOKOSA-N 448.431 4.018 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)CCc1ccc(-c2ccccc2F)o1 16320333 RHLMTTNJVVMQGX-UHFFFAOYSA-N 426.400 4.417 5 20 IIBD Cc1csc(SCc2ccccc2C(=O)OCc2ccc(C(N)=O)cc2[N+](=O)[O-])n1 16817457 ZGTKNTVOGYJSJV-UHFFFAOYSA-N 443.506 4.108 5 20 IIBD COCc1cccc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 17165850 TZBCHEJIYWTDLT-CYBMUJFWSA-N 441.465 4.049 5 20 IIBD COc1c(Br)cc(Cl)cc1NCC(=O)Nc1ccc([N+](=O)[O-])cc1C 22812887 HELIKEVIEYDSEJ-UHFFFAOYSA-N 428.670 4.378 5 20 IIBD COc1ccc([C@H](CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 23487034 MTIJZPZGTBGKON-IERDGZPVSA-N 429.542 4.037 5 20 IIBD CC(C)c1nnc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)s1 25323905 UIOOQWBLDGKZMI-UHFFFAOYSA-N 443.451 4.444 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(NC(=O)[C@H](C)n2cccn2)c1 31612342 AUOFCODEAAFHPX-GJZGRUSLSA-N 439.497 4.110 5 20 IIBD CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 108598198 CFVMZMKECIUAQA-UHFFFAOYSA-N 432.484 4.346 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(CNC(=O)C2CCCC2)cc1 216735875 KGSUFOHMQXDBEA-UHFFFAOYSA-N 433.411 4.255 5 20 IIBD COc1cc(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)cc(Br)c1OC 237300767 FCBSLYQIFRPLIZ-UHFFFAOYSA-N 447.232 4.266 5 20 IIBD Cc1ccc(-c2noc(CN3CCN(c4ccc([N+](=O)[O-])c(C(F)(F)F)c4)CC3)n2)cc1 301063796 CSLGAKSVISZEOD-UHFFFAOYSA-N 447.417 4.294 5 20 IIBD CC(C)(C)C(=O)N1CCOc2ccc(Nc3ncc(Br)cc3[N+](=O)[O-])cc21 301673181 GGEAXRMKYRMABO-UHFFFAOYSA-N 435.278 4.267 5 20 IIBD CCS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 302922764 WPYGCSDYOWBFAA-UHFFFAOYSA-N 431.495 4.073 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ncc(Cc3ccc(C)c(C)c3)s2)cc1[N+](=O)[O-] 409497610 DVSGWRCSAVYHLF-UHFFFAOYSA-N 433.511 4.068 5 20 IIBD COc1ccc(Br)c(CC(=O)Nc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)c1 425926944 WCZYMESBSYJHBR-UHFFFAOYSA-N 445.273 4.041 5 20 IIBD Cn1nc([N+](=O)[O-])cc1-c1nc(C2(c3ccc(Br)c(Cl)c3)CCC2)no1 426547885 HWZLDJICAKIESE-UHFFFAOYSA-N 438.669 4.264 5 20 IIBD CCCCS(=O)(=O)Nc1ccc(NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 428908234 VABSHQZPCMYBCN-HNNXBMFYSA-N 434.518 4.328 5 20 IIBD COc1cc(OC)c(OC)cc1NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 430341449 VSVIEVSOHMUMTI-UHFFFAOYSA-N 437.452 4.485 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccccc1-c1ncc2n1CCCC2 430371399 PJOXCQSCBFSYQM-UHFFFAOYSA-N 432.889 4.249 5 20 IIBD CCCc1c(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 432060710 GLHRFARWRRQGDU-UHFFFAOYSA-N 438.868 4.326 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(F)c(Cl)c1 432289800 SLKJCFVEHWOTKC-UHFFFAOYSA-N 440.880 4.315 5 20 IIBD Cc1c(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cnn1-c1ccccc1 435132485 JMDHFNIMMSVZOR-UHFFFAOYSA-N 427.269 4.197 5 20 IIBD CC(C)(CO)[C@@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccccc1 438178622 NBRQXXWPJKCALD-KRWDZBQOSA-N 440.418 4.068 5 20 IIBD Cc1c(CC(=O)N(Cc2ncc(-c3ccc4c(c3)OCO4)[nH]2)C(C)C)cccc1[N+](=O)[O-] 438833459 PHCQIRAWCKCWAE-UHFFFAOYSA-N 436.468 4.002 5 20 IIBD CS(=O)(=O)c1ccc(CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])cc1 440714048 IHIVCZADMFYUFX-UHFFFAOYSA-N 442.518 4.080 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1C[C@@H](n2cccn2)Cc2ccccc21 443931687 ZIVAINKVHNFWNI-HNNXBMFYSA-N 446.385 4.177 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 443951294 SZOFCFIGNYACIO-IRXDYDNUSA-N 426.517 4.143 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 443954965 DSHNECMXVHOHJV-OAHLLOKOSA-N 433.306 4.375 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N1CCN(c2ccccc2Cl)CC1 444828959 PKWCLNYJJSGSGW-UHFFFAOYSA-N 430.711 4.035 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(C)c(Oc3cc(C)ccn3)c2)c([N+](=O)[O-])c1 460831415 LUMQHVVKHQYNPW-UHFFFAOYSA-N 429.454 4.208 5 20 IIBD O=[N+]([O-])c1cccc(CN(c2nnc(CC3CCCC3)n2C[C@@H]2CCOC2)C2CC2)c1 461713925 VSANIZUJPAHDBI-IBGZPJMESA-N 425.533 4.125 5 20 IIBD C[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])c1ccc(Br)cc1OCCCO 461997252 MAZBVWVAROPNTO-SNVBAGLBSA-N 441.307 4.001 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 462770709 XYNBIOSZWLFULG-OXJNMPFZSA-N 434.439 4.365 5 20 IIBD C[C@@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])c1cccc(NC(=O)c2ccccc2)c1 463388908 DDOVTTCRCZFRDZ-QGZVFWFLSA-N 432.480 4.161 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](CC(F)(F)F)c2ccccc2)c2ncccc12 463689251 HYAPRGIFMYFGDI-CQSZACIVSA-N 425.388 4.115 5 20 IIBD COc1ccc(NC(=O)C(=O)N(Cc2ccccc2)[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] 463882871 ZQGDFQNNQPLBAF-KRWDZBQOSA-N 433.464 4.332 5 20 IIBD COc1cc(Br)c(CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc1OC 463955447 ONLMREVCMAWMCX-UHFFFAOYSA-N 438.278 4.313 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(OC)cc1I 464720609 RJDUYYYIGKBXOC-UHFFFAOYSA-N 426.210 4.023 5 20 IIBD CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl 467230790 PQNSWFIZMUFOKB-SFHVURJKSA-N 430.936 4.302 5 20 IIBD COC(=O)COc1ccc(NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc12 468335666 IKEZKNRAYBXCNX-OAHLLOKOSA-N 437.452 4.491 5 20 IIBD O=C(NCc1cc2cc(Br)ccc2[nH]1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 469083589 UJHNAPPYFLFMDE-UHFFFAOYSA-N 441.241 4.022 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 470114777 LZJMHAWCEGHWHO-UHFFFAOYSA-N 440.397 4.493 5 20 IIBD CN(C)[C@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1c(F)cccc1Cl 470520714 UICVNKLPIUVZKL-FQEVSTJZSA-N 435.883 4.060 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@@H]2CCCC[C@H]2n2cccn2)cc1[N+](=O)[O-])c1ccccn1 470679589 QILPSHVDDRZYSM-LDQXTDLNSA-N 434.500 4.273 5 20 IIBD O=C(Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1)c1cc2nccnc2cc1F 470968315 MBOGMEOBUDITSR-UHFFFAOYSA-N 444.382 4.375 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@H](c1ccccc1)c1cc2ccccc2o1 472558526 WORAJOGVWAUMHR-OAQYLSRUSA-N 433.395 4.324 5 20 IIBD Cc1nc(NC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)ccc1[N+](=O)[O-] 475298983 SSACDVCANATSIL-UHFFFAOYSA-N 432.362 4.027 5 20 IIBD COc1cc(C(=O)NCCCCc2ccc(F)c(F)c2)c([N+](=O)[O-])cc1OC(F)F 475950955 NKEUMEFIPVYFOY-UHFFFAOYSA-N 430.354 4.236 5 20 IIBD CCOC(=O)c1sc2nc(CN(C)C)nc(NCc3cccc([N+](=O)[O-])c3C)c2c1C 477948520 DBDPFWNGMITQAU-UHFFFAOYSA-N 443.529 4.067 5 20 IIBD COc1ccc(CNC(=O)Nc2cc(Br)ccc2N2CCCC2)cc1[N+](=O)[O-] 479289777 WGGWTNVDGVGIDD-UHFFFAOYSA-N 449.305 4.288 5 20 IIBD CC(C)N(CC(=O)N1CCCCCC1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 480271597 RLEYKAWVVNRJOG-UHFFFAOYSA-N 430.427 4.259 5 20 IIBD C[C@@H](O)[C@](C)(CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccccc1 482120599 JFDXUXQUFUZDCG-QRQCRPRQSA-N 425.510 4.078 5 20 IIBD CC1(C)CN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C[C@@]2(CCCOC2)O1 482845652 RSISEJIELUIXHZ-HSZRJFAPSA-N 425.485 4.139 5 20 IIBD CCNC(=O)c1ccc(C)c(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1 482909130 UCSRQBKNWJLBGF-HZPDHXFCSA-N 438.528 4.388 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@@H]2CC[C@H](c3ccccc3)C[C@H]2OC)c(C)c([N+](=O)[O-])c1 483534950 UJVULQIYCZBTBH-YRISNDGFSA-N 441.484 4.163 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(OC(F)F)c3cccnc23)c([N+](=O)[O-])cc1OC 484416971 XXIBJXCDLKBUID-UHFFFAOYSA-N 433.367 4.404 5 20 IIBD O=C(NC[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1)c1ccc([N+](=O)[O-])o1 484753629 IODCXPAVEFKVSS-MRXNPFEDSA-N 431.901 4.432 5 20 IIBD CCOc1ccc(NC(=O)c2ccc(NC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)cc2)cc1 484826473 QTUHLLFMCMBAFX-UHFFFAOYSA-N 449.419 4.227 5 20 IIBD CSc1cccc(C(=O)Nc2cccc(C(=O)N3CCSCC3)c2C)c1[N+](=O)[O-] 486240108 GNJHDJOVHHRKQA-UHFFFAOYSA-N 431.539 4.066 5 20 IIBD Cc1ccc(-n2cnc3c2CCN(c2cc(C)nc(-c4ccc([N+](=O)[O-])cc4)n2)C3)cc1 486788970 PHSKJQQUHXYUSR-UHFFFAOYSA-N 426.480 4.417 5 20 IIBD C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 487001429 QVTUTDYMCOZNFM-ZDUSSCGKSA-N 445.932 4.337 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)c2ccccc2CS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 488076950 FWRFWUCWXXAXBL-QGZVFWFLSA-N 438.505 4.368 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 488924757 PRQBAUAUEJUVRO-MRXNPFEDSA-N 430.766 4.202 5 20 IIBD CC1(C)Cc2ccc(Br)cc2[C@@H]1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 490597011 YXVRHSFKCOMGNV-KRWDZBQOSA-N 439.331 4.100 5 20 IIBD Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)ccc1NC(=O)c1ccco1 491854898 UQVNAFGZUKZHDC-UHFFFAOYSA-N 429.454 4.166 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(OC3CCCC3)c(F)c2)cc1[N+](=O)[O-] 494017303 MDDUQAPNEPXLHO-CQSZACIVSA-N 429.448 4.180 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)N1CCS[C@@H]2COCC[C@H]21 494429567 KAZCZYQBZIZSCB-WOJBJXKFSA-N 447.944 4.207 5 20 IIBD CCCn1c2ccccc2c2nnc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc21 495455762 RRHMFTIZCWXXHV-CYBMUJFWSA-N 436.497 4.417 5 20 IIBD COc1cccc(OC)c1OC1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1 501899057 LJKQIJHQIVLWDI-UHFFFAOYSA-N 432.498 4.018 5 20 IIBD CCCN(C)[C@@H](CNC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc(Cl)cc1 503528972 XMOGWASLLNSOFY-IBGZPJMESA-N 444.923 4.007 5 20 IIBD C[C@H]1CCCCN1C[C@@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 505929687 GKUGHYXNTPBSSN-SFTDATJTSA-N 431.580 4.268 5 20 IIBD Cc1c(Br)cc(C(=O)NCCc2cc(C(F)(F)F)ccn2)cc1[N+](=O)[O-] 506732612 PTXSHUAFZSADMN-UHFFFAOYSA-N 432.196 4.052 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1(Cc2ccc(F)cc2)CCOCC1 508520561 QAXUIYCMBNYUDK-UHFFFAOYSA-N 440.393 4.408 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC(F)F)cc1 509012059 LVDWKXVNSHQMSL-UHFFFAOYSA-N 448.163 4.362 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 509998376 QNMQVFZTHQPDDX-IBGZPJMESA-N 427.819 4.232 5 20 IIBD COc1cc(CCNC(=O)N2CC=C(c3ccccc3Cl)CC2)c([N+](=O)[O-])cc1OC 510341764 ZPNIOXWDNJVIAA-UHFFFAOYSA-N 445.903 4.307 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N(Cc1cccs1)C[C@H]1CCCO1 510859640 FKDIONBHCWHJOV-CYBMUJFWSA-N 427.429 4.471 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1[N+](=O)[O-] 512190543 YIMBERKAJKVLIA-LPHOPBHVSA-N 430.526 4.121 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(Br)cc1Br 512984487 GKYIENXHIWVCQL-UHFFFAOYSA-N 442.107 4.435 5 20 IIBD CCc1ccc([C@H](NC(=O)Cn2cc(Br)c([N+](=O)[O-])n2)c2cccs2)cc1 515605812 SJHZSXIMINYJCG-KRWDZBQOSA-N 449.330 4.084 5 20 IIBD Cn1c(C(=O)N2CCCc3c(NC(=O)Nc4ccccc4F)cccc32)ccc1[N+](=O)[O-] 517659106 VLEUEIJPCGMLCW-UHFFFAOYSA-N 437.431 4.309 5 20 IIBD CCCc1[nH]nc(C(=O)NCc2ccccc2-c2ccc(CN3CCCC3)cc2)c1[N+](=O)[O-] 518329203 QSISIHJTXKTKPQ-UHFFFAOYSA-N 447.539 4.463 5 20 IIBD Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3cc(-c4cccc([N+](=O)[O-])c4)[nH]n3)n2)n1 519167786 NWURYWJCVZPZMJ-UHFFFAOYSA-N 437.847 4.088 5 20 IIBD COc1ccc(CC(=O)NC[C@H](C)Sc2ccc(Br)cc2)cc1[N+](=O)[O-] 520247387 GSZVJHJOMBWBSS-LBPRGKRZSA-N 439.331 4.205 5 20 IIBD COc1cc(C(=O)Nc2c(C)c(C)nn2-c2ccc(Br)cc2)ccc1[N+](=O)[O-] 522880892 XACXLPSLDOJGTD-UHFFFAOYSA-N 445.273 4.421 5 20 IIBD Cc1sc2nc(Sc3ccc(Br)cc3[N+](=O)[O-])n(C)c(=O)c2c1C 524221017 QNBSLKZEDGEMNV-UHFFFAOYSA-N 426.317 4.434 5 20 IIBD CN(Cc1ccccc1Br)C(=O)c1ccc([N+](=O)[O-])cc1Br 524254049 KGWYEOPKZGZBMV-UHFFFAOYSA-N 428.080 4.392 5 20 IIBD COC[C@H]1CCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)C1 525329020 VHWPHVQZSOLOOO-IFXJQAMLSA-N 448.317 4.005 5 20 IIBD C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 533063508 JWZRZKDNJDQRNS-MRXNPFEDSA-N 439.491 4.026 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1[N+](=O)[O-])c1ccccn1 535862927 VUJNUMOVBBWVCZ-VYOKXSSZSA-N 436.512 4.240 5 20 IIBD Cc1cccc(C2=CCN(C(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)CC2)c1 536384282 UBSSBECOBINSII-UHFFFAOYSA-N 435.509 4.112 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN(CC(=O)N2CCc4cc([N+](=O)[O-])ccc42)C3)cs1 536790924 RQOHWALSLMOABG-UHFFFAOYSA-N 440.550 4.036 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1SC 539152696 LUFCOEGJAGTYLU-KDOFPFPSSA-N 440.880 4.378 5 20 IIBD Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)n([C@H]2C[C@H]3CC[C@H]2C3)n1 539234271 SMJLMAMPWQNELV-HUBLWGQQSA-N 444.435 4.280 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNc2nnc([C@H]3CCCO3)o2)cc1 540791379 WCWJQCVPWVIFKL-LJQANCHMSA-N 432.440 4.294 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN3CCO[C@H](c4ccc(C(F)(F)F)cc4)C3)o2)cc1 541091170 ZLFBKQKSRVKALH-KRWDZBQOSA-N 434.374 4.237 5 20 IIBD CC[C@H](C(=O)N1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1)c1ccccc1 541834961 UNNIVBZWBSRFQU-SFHVURJKSA-N 428.464 4.040 5 20 IIBD CC(C)(NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(Cl)cc1 551720088 PIRRIJVZSZGVNU-UHFFFAOYSA-N 426.698 4.474 5 20 IIBD CC[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OC(F)(F)F)cc1 552067405 IWQYSJKESOIMLX-QGZVFWFLSA-N 432.420 4.008 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(COc2ccc(F)cc2)c1 552606001 FXUNTAOCTPIWPR-UHFFFAOYSA-N 437.427 4.072 5 20 IIBD COc1ccc(C(C)=O)cc1CC(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 553053120 KYUTULDHVCWYBO-UHFFFAOYSA-N 425.466 4.135 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2cccc(-c3nccs3)c2)c1 553435739 PCLDNCDNAWIQCG-UHFFFAOYSA-N 440.300 4.282 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCc3ccc(Br)cc3C2)cc1SC 556464316 LOBREKCPVZEXKM-UHFFFAOYSA-N 437.315 4.286 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@](F)(c2cc(F)cc(F)c2)C1 557197780 UDEJNBSSILXRSU-HXUWFJFHSA-N 440.443 4.322 5 20 IIBD C[C@H](N[C@@H]1c2ccccc2CC12CCOCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 558487059 IMTCIXMLWJKPMO-VBKZILBWSA-N 429.904 4.259 5 20 IIBD Cc1ccsc1C(=O)Nc1ccc(OC[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 559297250 DEVQDGMTDAKJIC-KRWDZBQOSA-N 428.466 4.036 5 20 IIBD CCC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 559875879 DIBPNMDFXNZLTQ-JKSUJKDBSA-N 448.545 4.086 5 20 IIBD COC(=O)c1ccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c(F)c1 569486863 MSTHRSTYIQMEPW-OKILXGFUSA-N 429.448 4.255 5 20 IIBD COCCCOc1ccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC 578034535 DSSFDGPJMYXBQP-UHFFFAOYSA-N 443.481 4.395 5 20 IIBD O=C(Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c1)c1ccncc1 584733622 LAPHPBBNFZOPGX-UHFFFAOYSA-N 444.369 4.191 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)c1 594663162 PVWPVMPQPFZRQE-UHFFFAOYSA-N 426.454 4.484 5 20 IIBD CN(C)c1ncccc1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 603739990 MFIPKCLWOLLESL-UHFFFAOYSA-N 442.479 4.090 5 20 IIBD O=C(CCCOc1ccccc1)Nc1ccc(CNC(=O)c2csc([N+](=O)[O-])c2)cc1 603761910 SSHMMVWQGPCZTF-UHFFFAOYSA-N 439.493 4.384 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(F)c(NC(=O)c3ccoc3C)c2)c1C 603976779 VXJDKNDMCRQZQX-UHFFFAOYSA-N 447.444 4.305 5 20 IIBD C[C@H]1Cc2ccccc2N1C1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 604445941 QQNOTXJPYWNUIT-JKSUJKDBSA-N 443.931 4.458 5 20 IIBD Cc1ccc(Sc2ccc(CN[C@@H]3CCCc4c3cnn4CCO)cc2[N+](=O)[O-])cc1 608782010 CDNCHBKVKKQBEZ-HXUWFJFHSA-N 438.553 4.410 5 20 IIBD COC(=O)c1ccc2c(O)nc(/C=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)nc2c1 608801270 SNPYNPKCBIABMG-UXBLZVDNSA-N 447.403 4.469 5 20 IIBD Cn1c(CC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)nnc1-c1ccccc1 609756190 ZUTVGPFHSBRPMA-UHFFFAOYSA-N 429.436 4.364 5 20 IIBD O=C(CSCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Nc1cc(Cl)ccc1F 609770800 PMINGMIHAGBMHM-UHFFFAOYSA-N 439.852 4.057 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(-c3ccccc3)ns2)cc1OC 609830702 DMEIMELURJTZKU-UHFFFAOYSA-N 429.454 4.004 5 20 IIBD C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 610043928 YZJCUIYBIPKOCY-KRWDZBQOSA-N 438.528 4.006 5 20 IIBD Cc1cc(N2CCCC2)ccc1NC(=O)COc1ccc(Br)cc1[N+](=O)[O-] 610219488 AIYQBFZBLORAQJ-UHFFFAOYSA-N 434.290 4.283 5 20 IIBD O=C(Nc1nc2ccccc2n1C1CC1)c1cc(I)cc([N+](=O)[O-])c1 611223933 BCZOLCCJIWBMPR-UHFFFAOYSA-N 448.220 4.136 5 20 IIBD O=C(c1ccc(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1)N1CCc2ccccc21 618619214 LKEJUTQWEVCHKZ-UHFFFAOYSA-N 431.448 4.181 5 20 IIBD COc1ccc(NC(=O)[C@@H](OC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])c2ccccc2)cc1 725934840 AKJYSYISGRYMLY-FQEVSTJZSA-N 442.374 4.418 5 20 IIBD COc1cc(C(=O)OCc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)ccc1[N+](=O)[O-] 725945702 LIWMEFVXLUOZGH-UHFFFAOYSA-N 441.461 4.102 5 20 IIBD O=C(NCc1ccncc1)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 727745887 WURCGNVZDHTPJU-UHFFFAOYSA-N 425.832 4.217 5 20 IIBD COc1ccc(OC(=O)[C@@H]2CSCN2C(=O)c2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 727985035 WYXKFMVATMRZEP-SFHVURJKSA-N 444.509 4.022 5 20 IIBD O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1ccc(Br)c([N+](=O)[O-])c1 730756930 COPQVTOOBPKSEE-ZDUSSCGKSA-N 439.237 4.307 5 20 IIBD CCN(C(=O)[C@@H](C)OC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1cccc2ccccc12 731718130 IUYKMQUDWSTUSF-OAHLLOKOSA-N 440.427 4.251 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC[C@H](C)C(C)(C)C)cc2)cc1[N+](=O)[O-] 734443930 VGBYKZQSMMBCJF-HNNXBMFYSA-N 433.530 4.116 5 20 IIBD CC(C)Oc1ccc([C@H](O)CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1 734873464 DCCZVCBSHWWOEE-XMMPIXPASA-N 449.507 4.458 5 20 IIBD CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 735903197 HOKPHHGLUGXCHO-KRWDZBQOSA-N 436.917 4.152 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccc(Cl)cn2)c2ccccc2)c([N+](=O)[O-])c1 736857496 RZUQQYUFZDKLOZ-IBGZPJMESA-N 425.828 4.488 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cc1Cl 741751793 NOWXVXIVBOGBAR-GJZGRUSLSA-N 447.919 4.256 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccccc1)c1ccccc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 743121207 HQQTWSVPJQOSBJ-JOCHJYFZSA-N 442.431 4.317 5 20 IIBD O=C(Cc1cccc(O)c1)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 743266860 XHVLVQRHTOZTHL-OAQYLSRUSA-N 440.839 4.420 5 20 IIBD Cn1cc(C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 744037113 NRBNDQSXRPERKF-UHFFFAOYSA-N 429.480 4.496 5 20 IIBD CCN(CC1CCN(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])CC1)C(=O)OC(C)(C)C 745973458 CTTRLSATQBZNAJ-UHFFFAOYSA-N 448.564 4.206 5 20 IIBD CS(=O)(=O)c1ccc(OCCC(=O)OCc2nc3ccccc3c3ccccc23)cc1 746642789 APCJURCKTMCZJK-UHFFFAOYSA-N 435.501 4.304 5 20 IIBD CCc1ccc(C(=O)OCc2csc(CC(=O)Nc3ccccc3)n2)cc1[N+](=O)[O-] 747010553 MNCLHFWQPPYQFM-UHFFFAOYSA-N 425.466 4.152 5 20 IIBD Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 749125799 LWEQOHWXBHDXDS-UHFFFAOYSA-N 445.382 4.204 5 20 IIBD CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CCC(NC(=O)OC(C)(C)C)CC1 749439685 MILCKQXZGMFBCC-UHFFFAOYSA-N 425.913 4.085 5 20 IIBD CC(C)(C)OC(=O)N1CCc2nc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])sc2C1 750181597 RXDDMNGOEZIRGT-UHFFFAOYSA-N 438.893 4.250 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N(CCc1ccccc1)C1CC1 751077821 RDAUXWWZSZDRBH-UHFFFAOYSA-N 436.249 4.047 5 20 IIBD O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1nc(-c2cccs2)n(-c2ccccc2)n1 751637573 NHISRTCLJAUDND-UHFFFAOYSA-N 447.432 4.402 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)cc2)c(C)c1[N+](=O)[O-] 752443647 QOSQHTVVQSLXLW-UHFFFAOYSA-N 437.456 4.030 5 20 IIBD C[C@@H](OC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 755965531 HIZDFLDFCWKMDZ-SECBINFHSA-N 432.738 4.331 5 20 IIBD COc1ccccc1[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1Br)OC(C)C 759194986 FMTPISBMERNONV-KRWDZBQOSA-N 437.290 4.262 5 20 IIBD O=C(COC(=O)C1(c2c(Cl)cccc2Cl)CC1)Nc1cc([N+](=O)[O-])ccc1F 759436397 FAOVAUPQXDBUHN-UHFFFAOYSA-N 427.215 4.254 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cc(-c2ccc3c(c2)CCO3)no1 760535403 AVFUDIULSGBVQV-UHFFFAOYSA-N 433.376 4.197 5 20 IIBD CCCOc1c(Cl)cc(-c2noc(Cn3ncc4ccc([N+](=O)[O-])cc43)n2)cc1OC 761415982 AZRUPLNFKCNCTM-UHFFFAOYSA-N 443.847 4.494 5 20 IIBD CC[C@@H](OC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)C(=O)c1ccc(Cl)cc1 763909839 RXLFUSWIGGOARB-QGZVFWFLSA-N 446.843 4.141 5 20 IIBD O=C(O[C@H]1CCOC2(CCOCC2)C1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 765695878 URKBKHJXPQXHBX-IBGZPJMESA-N 426.469 4.092 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 768544636 PSPCZPGIIXNAQL-OXJNMPFZSA-N 443.548 4.263 5 20 IIBD O=C(OCc1noc(-c2ccc(F)cc2F)n1)c1sc(Br)cc1[N+](=O)[O-] 773596017 BGASZYMOEIYCSP-UHFFFAOYSA-N 446.185 4.104 5 20 IIBD Cc1ccc(N2C[C@@H](C(=O)O[C@@H](c3cccnc3)c3ccccc3[N+](=O)[O-])CC2=O)cc1F 776137846 NWACYCSRXLQFAE-SBUREZEXSA-N 449.438 4.123 5 20 IIBD COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 776270941 GLQKVZYOAXRRKY-XXBNENTESA-N 440.521 4.355 5 20 IIBD O=C(COC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)Nc1cc(F)ccc1F 781258607 VLKJLTQYIYQEPN-UHFFFAOYSA-N 444.340 4.033 5 20 IIBD O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781582954 YSGWSQKMPZVBCJ-QUCCMNQESA-N 425.441 4.194 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N[C@H]1CCCc2cc(OC(F)F)ccc21 781619971 XDZVVPHYXZQSKK-KRWDZBQOSA-N 435.383 4.231 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 784527995 LYNNFKAIYUYJNQ-HNNXBMFYSA-N 430.386 4.429 5 20 IIBD O=C(O[C@H]1CCO[C@H](C2CCOCC2)C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 786496674 KYGXLGGIQRNYON-REWPJTCUSA-N 441.480 4.305 5 20 IIBD CCOc1cc(NC(=O)N[C@H](C(C)C)[C@H](O)c2ccccc2)c([N+](=O)[O-])cc1OCC 788558172 SKMZJRBCOATHDE-NHCUHLMSSA-N 431.489 4.272 5 20 IIBD O=C(N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)c1cc(Cl)ccc1[N+](=O)[O-] 789316516 MPWPOCFIPUJKSY-AWEZNQCLSA-N 442.686 4.480 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 791122256 UNDKPTIGOWMASJ-VMPITWQZSA-N 444.285 4.245 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)cc1[N+](=O)[O-] 793019547 SCKCYGCMKNPGCJ-YJBOKZPZSA-N 445.541 4.007 5 20 IIBD CC(C)(C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc2c(c1)OCO2 797283363 VSPUEISWRZJYAR-UHFFFAOYSA-N 426.450 4.468 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1ccc2nc(C(F)F)sc2c1 806937499 PVFBKXPTGBYDGE-UHFFFAOYSA-N 440.815 4.050 5 20 IIBD COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 808869495 NGECFMUBVOXDBV-JTSKRJEESA-N 439.512 4.053 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3C[C@@H](C)CCN3C(=O)OC(C)(C)C)n2)c1 809476260 KIIKNRUMNOEAFC-GUYCJALGSA-N 432.477 4.285 5 20 IIBD CCc1nc2ccc(Cl)cn2c1C(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 813008205 XZHSLLYFTKVNNS-UHFFFAOYSA-N 426.816 4.470 5 20 IIBD COCCOCCN(Cc1ccccc1)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813050138 LGAIKWNXFWGQAH-UHFFFAOYSA-N 427.284 4.207 5 20 IIBD Cc1cccc([C@@H](NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])c2ccccn2)c1 815028974 HZWNLDAQZXEBGH-LJQANCHMSA-N 435.864 4.159 5 20 IIBD CCOC(=O)c1cc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)ccc1O 819361078 UEHTWMCEAXPEMA-UHFFFAOYSA-N 438.386 4.094 5 20 IIBD O=C(/C=C\c1ccc2c(c1)OCO2)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 909929872 RHCWYKHITCPXJE-WZUFQYTHSA-N 432.388 4.195 5 20 IIBD O=C(Nc1ccc(-n2nccn2)nc1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 913002473 ABQZOWXQHCDJOQ-UHFFFAOYSA-N 449.858 4.088 5 20 IIBD CCOc1ccc(-c2nc(C(=O)O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)cs2)cc1 914994707 ZENLWWZEWFLQBF-ZDUSSCGKSA-N 441.465 4.301 5 20 IIBD CCOc1cc(NC(=O)N2CCC([C@@H](O)c3ccccc3)CC2)c([N+](=O)[O-])cc1OCC 915333438 RQYHEFZBRHWLIZ-QFIPXVFZSA-N 443.500 4.370 5 20 IIBD C[C@H](Oc1ccc2c(c1)CCC2)C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 915485982 RUICKIJPSDZZBQ-OLZOCXBDSA-N 432.860 4.075 5 20 IIBD O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)c1cc(Cl)ccc1[N+](=O)[O-] 915599463 CLWHQCPDNSHMIE-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(Cc1ccccc1)Cc1ccccc1C 915663883 UHKLUMRPJXZWNG-UHFFFAOYSA-N 448.475 4.332 5 20 IIBD O=C(c1ccc(C2SCCCS2)cc1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 915702236 BIYAWEKKMCCOQY-UHFFFAOYSA-N 429.567 4.426 5 20 IIBD COc1cc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1OCCC(C)C 916448208 OKRXDFUFXHYLFR-CQSZACIVSA-N 431.445 4.428 5 20 IIBD C[C@H](Sc1ccc(Cl)cc1)C(=O)N(C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 916991320 SGNAEFORBXBSIX-JTQLQIEISA-N 449.337 4.230 5 20 IIBD C[C@@H](OC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1cccc([N+](=O)[O-])c1 919286948 DKAUMQVYXYSQMN-CZUORRHYSA-N 436.386 4.267 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] 1263377225 USOJBDAIRWEAHC-VQTJNVASSA-N 428.460 4.448 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCC(O)(Cc2ccccc2F)CC1 1322165892 RYSRHCYYDZMMJA-UHFFFAOYSA-N 449.351 4.357 5 20 IIBD Cc1ccc(SCc2nnc(CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)o2)cc1 1322467507 UPTDFYPDCVMPAM-UHFFFAOYSA-N 426.454 4.119 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1[N+](=O)[O-])c1ccccn1 1323735048 OBFOJKIPBNOMNY-OAHLLOKOSA-N 447.451 4.270 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CNCc2ccnc(N3CCOCC3)c2)o1 1327191623 AXAVLWJDWOUCGO-UHFFFAOYSA-N 428.876 4.030 5 20 IIBD CCCOc1ccc(-c2nnc([C@H](CC)Nc3c([N+](=O)[O-])c(C)nn3C)o2)cc1OC 1328364868 KNBHUFDOWFAXHV-AWEZNQCLSA-N 430.465 4.047 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@@H]3CCCS3)CCC2)cc1)c1cc(F)cc([N+](=O)[O-])c1 1790699475 JDPQAGGAPQESDC-IBGZPJMESA-N 443.500 4.377 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1cccs1)C2 1800700037 UFXIBVDGRRKHAK-KNLVPVJXSA-N 443.500 4.069 5 20 IIBD Cc1ccccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2)n[nH]1 1814376026 KAZCKGXEDBHNRH-NRFANRHFSA-N 447.495 4.175 5 20 IIBD CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)CCCCC1 1829835914 LBBAEQKVUHFZJZ-LJQANCHMSA-N 430.549 4.127 5 20 IIBD Cc1cc(OCC(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1Cl 11166455 VDQPHNXZGNCYBL-LLVKDONJSA-N 427.240 4.159 5 20 IIBD Cc1ccc(-c2nc(CC(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cs2)cc1 17205359 CMHXZSZRLAICDK-UHFFFAOYSA-N 445.884 4.405 5 20 IIBD C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 17273323 ACMVTMFOGWPIPP-NSHDSACASA-N 447.517 4.432 5 20 IIBD COc1ccc(-c2nnc(SCc3ccccc3[N+](=O)[O-])n2C[C@@H]2CCCO2)cc1 25114139 SQPKFISHEFAYPB-SFHVURJKSA-N 426.498 4.333 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)N(C)Cc2ccccc2Br)cc1[N+](=O)[O-] 45411173 BYLFURMYBFFZQC-UHFFFAOYSA-N 433.711 4.140 5 20 IIBD CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1cccc([N+](=O)[O-])c1C 63765265 HCEQIEMENXWOIK-UHFFFAOYSA-N 431.283 4.016 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCCCc2nc3ccccc3[nH]2)cc1[N+](=O)[O-])c1ccccn1 108788596 MPGKCAFVWBIGNS-MRXNPFEDSA-N 444.495 4.402 5 20 IIBD O=C(NC1CCN(CC2CC2)CC1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 195569298 FWUREJXEHTYKLV-UHFFFAOYSA-N 442.947 4.465 5 20 IIBD CN(C)C(=O)C1(CNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCCC1 237129833 UCOORGRWVPICOM-UHFFFAOYSA-N 447.539 4.186 5 20 IIBD O=c1c(Cl)c(N[C@H](CN2CCCC2)c2ccccc2)cnn1-c1ccc([N+](=O)[O-])cc1 301350564 MPPNPMLXJLCRDE-HXUWFJFHSA-N 439.903 4.043 5 20 IIBD COc1cc(N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)c(F)cc1[N+](=O)[O-] 301919686 FHUIYDKKFHUTJO-UHFFFAOYSA-N 428.247 4.012 5 20 IIBD Cc1ccccc1CN(Cc1cccnc1)C(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 303463723 MEVAQFXIJVHMFP-UHFFFAOYSA-N 428.448 4.395 5 20 IIBD O=C(NCC1(c2cccs2)CCCCC1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303771845 HEOZCKRGWYSRPT-HNNXBMFYSA-N 447.582 4.341 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CNc2cccc3c(=O)n(C)ccc23)cc1OC 409898321 NETXMXRVTLUJLP-OAHLLOKOSA-N 425.485 4.492 5 20 IIBD Cc1cnc(OCC(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)c([N+](=O)[O-])c1 426565753 CJGFIEWKOUZQRL-IBGZPJMESA-N 430.464 4.107 5 20 IIBD COC(=O)c1cccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c1Br 427186577 NERLWLGFVXPRQM-VIFPVBQESA-N 425.210 4.025 5 20 IIBD COc1ccc(C(=O)N2CCCC2)cc1NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 429061222 GBRLWMMBRBCECC-OAHLLOKOSA-N 426.473 4.031 5 20 IIBD Cc1c(NC(=O)C(=O)NCc2ccc(C(C)(C)C)cc2)cc(Br)cc1[N+](=O)[O-] 430307726 VYANMMRFVORNSV-UHFFFAOYSA-N 448.317 4.218 5 20 IIBD Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 430531258 NHPNZCUKAJGTFQ-UHFFFAOYSA-N 439.541 4.244 5 20 IIBD CCc1cc(N(CC)Cc2ccc(C(=O)N(C)C)cc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 432069086 JHVFVSOVYDXYMX-UHFFFAOYSA-N 433.512 4.343 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc(Br)c1F 432369183 UIBHFTMDXCUAEG-UHFFFAOYSA-N 443.250 4.257 5 20 IIBD CCOc1cc(CN2CCc3ccccc3C2)ccc1OCCn1c([N+](=O)[O-])cnc1C 435237961 ZDOPSUVCSITMMX-UHFFFAOYSA-N 436.512 4.136 5 20 IIBD C[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@H](OC1CCOCC1)c1ccccc1 437342802 GXHBGKLVWYRMMS-HJPURHCSSA-N 439.512 4.224 5 20 IIBD Cc1ccc([C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H](C)S(C)(=O)=O)cc1 437347285 MKNMOAVEHMMKEM-KSFYIVLOSA-N 428.510 4.427 5 20 IIBD O=C(Nc1ccc(N2CCCCC2)nc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 437790621 VQTKTNNVBOJSLI-UHFFFAOYSA-N 425.489 4.055 5 20 IIBD CC[C@H](CNC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)Oc1ccccc1C(F)(F)F 440085258 AUYJCFYHQJZLQU-CYBMUJFWSA-N 449.385 4.455 5 20 IIBD CCn1c(Sc2cc(COC)nc(C(C)(C)C)n2)nnc1-c1ccc([N+](=O)[O-])cc1 443879014 MKHDMYYUOJLKIU-UHFFFAOYSA-N 428.518 4.258 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCO[C@]2(CCc3ccccc32)C1 444237807 JIVFOJHMZJFYEU-AREMUKBSSA-N 446.453 4.274 5 20 IIBD CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] 445035842 SWGYCHWNIXUZCO-UHFFFAOYSA-N 442.516 4.273 5 20 IIBD Cc1cccc(NC(=O)Cc2noc(CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)c1 445312915 SPVWPUAREKNDMH-UHFFFAOYSA-N 449.389 4.141 5 20 IIBD O=C(C[C@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1cccs1 446375131 UVPWHQHJXPOPDQ-CYBMUJFWSA-N 437.315 4.225 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N(Cc3cccc(F)c3)C3CC3)n2C[C@@H]2CCOC2)c1 461365880 LQPDKCKQYBHHAM-KRWDZBQOSA-N 437.475 4.198 5 20 IIBD Cc1ccccc1-c1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1C[C@@H]1CCOC1 461519285 FGBCORINQMNZLY-IBGZPJMESA-N 433.512 4.367 5 20 IIBD COc1cccc([C@@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc2Cl)c1 462328910 UCQLDCYJBCXPSR-OAQYLSRUSA-N 446.912 4.466 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 462501687 LIQFVPBLXHJBBM-KRWDZBQOSA-N 427.476 4.180 5 20 IIBD COc1cc([C@H](C)NC(=O)CN(C)c2ccccc2[N+](=O)[O-])ccc1OC1CCCC1 463407325 UIYZIFZGKCQCBK-INIZCTEOSA-N 427.501 4.238 5 20 IIBD COc1cccc([C@H](C)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 463857949 RWMAPBWOUMIQEU-AWEZNQCLSA-N 437.418 4.141 5 20 IIBD CCOc1c(Cl)cc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1OC 464639456 PCUGFHZPPNWZSL-UHFFFAOYSA-N 434.876 4.339 5 20 IIBD COc1cc(CCNC(=O)N2C[C@@H](C)C[C@@H]2c2ccccc2F)c([N+](=O)[O-])cc1OC 465604659 QKUFLVCOBWEVAB-IFXJQAMLSA-N 431.464 4.086 5 20 IIBD C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCCN(c2nnc(C(F)(F)F)s2)CC1 470211862 NGFLRUJPXVHZQP-JLHYYAGUSA-N 427.452 4.081 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2nnc(-c3cc4ccccc4o3)s2)cc([N+](=O)[O-])c1 470380109 TYRMZAKJBKZGQS-UHFFFAOYSA-N 438.421 4.289 5 20 IIBD COC1(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCCCC1 476829823 ZTCMKPMNWIHADO-UHFFFAOYSA-N 443.466 4.296 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)ccc1[N+](=O)[O-] 478221769 CQPHESPVKZEGCR-UCNVEGJOSA-N 439.487 4.099 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C 478307537 OUKZNIGTKOTINH-MGPUTAFESA-N 442.516 4.259 5 20 IIBD O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1Cc1nc(-c2c(F)cccc2F)cs1 478921040 BHKGWQHESOKGMJ-UHFFFAOYSA-N 426.404 4.269 5 20 IIBD Cc1ccccc1[C@H]1CN(c2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)[C@@H](C)CO1 480067519 ZVJQPXYABXKYOG-MGPUTAFESA-N 440.887 4.069 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)c1[N+](=O)[O-] 480189812 KKHOWKZJMIXKPR-AWEZNQCLSA-N 440.905 4.081 5 20 IIBD CCS(=O)(=O)c1ccc(CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])s1 480500861 RKODQJKAZLACBA-UHFFFAOYSA-N 430.507 4.293 5 20 IIBD CC(C)c1ccccc1-n1c(SCCn2ccc([N+](=O)[O-])n2)nnc1-c1cccnc1 481230186 FZHCRAJXOQNBIZ-UHFFFAOYSA-N 435.513 4.350 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 481854506 HCOLLPBJJGIOKD-UHFFFAOYSA-N 449.554 4.135 5 20 IIBD COC(=O)c1cc(NC(=O)c2c(C)nn(Cc3ccc(Cl)cc3)c2C)cc([N+](=O)[O-])c1 482277011 SRGKZOJCXNURGB-UHFFFAOYSA-N 442.859 4.149 5 20 IIBD O=C(NCCc1cnn(-c2ccccc2)c1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 483942295 MWNYLZYNMMKQDF-UHFFFAOYSA-N 441.491 4.365 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cccc(C(=O)N(C)C)c1 485261150 XCUKLSWZJCCOCR-UHFFFAOYSA-N 429.542 4.017 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 486268667 GZJFQBQGDXZSNM-INIZCTEOSA-N 435.590 4.356 5 20 IIBD O=C(Cc1ccc(F)c(Br)c1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 486708115 JJQRBCFMHJMXQV-UHFFFAOYSA-N 435.171 4.374 5 20 IIBD CCCCOc1c(Cl)cc(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1OC 487022728 QSEDXRKORUXXHO-UHFFFAOYSA-N 436.896 4.110 5 20 IIBD COc1c(F)cc(S(=O)(=O)Nc2cccc(Nc3nc(C)cs3)c2)cc1[N+](=O)[O-] 488266476 UDTARDLIYSLEGB-UHFFFAOYSA-N 438.462 4.052 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@H](C)c2cccc(OC)c2)CC1 488912955 BWDZIXRLCVMKGG-MRXNPFEDSA-N 429.542 4.234 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H](OC)c1ccc(Cl)cc1 489294637 OZBFHKWUJNITNH-DJJJIMSYSA-N 438.933 4.493 5 20 IIBD COC(=O)c1cc(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)c(C)c([N+](=O)[O-])c1 489763902 NWGQODWJAJCAJK-UHFFFAOYSA-N 448.357 4.147 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](CO)Cc1ccccc1C(F)(F)F 494006887 MHCFIRVBEMXXRY-CQSZACIVSA-N 425.407 4.203 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCCc1csc(-c2ccccc2)n1 497341198 GMMBEIXDIJERFL-UHFFFAOYSA-N 446.326 4.382 5 20 IIBD Cn1c(-c2cccc(NS(=O)(=O)CCc3ccccc3[N+](=O)[O-])c2)nc2ccccc21 499288107 ATOONRJIDNLYPB-UHFFFAOYSA-N 436.493 4.133 5 20 IIBD O=C(NC1CCN(c2nccs2)CC1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 500749921 SESSXEXREBBWFZ-UHFFFAOYSA-N 437.525 4.062 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1COc2cc(F)c(Br)cc21 501296430 SRIOXGHADGHHEB-RFAUZJTJSA-N 441.278 4.227 5 20 IIBD CS(=O)(=O)c1cccc([C@H](NCc2c(F)cc([N+](=O)[O-])cc2F)c2ccccc2)c1 506292894 CRXBYVRHZMQNSB-OAQYLSRUSA-N 432.448 4.156 5 20 IIBD Cc1c(NC(=O)C(=O)NCc2ccc(-c3ccc4c(c3)CCCO4)cc2)cccc1[N+](=O)[O-] 507011081 JSQYNIIUTJVNHG-UHFFFAOYSA-N 445.475 4.150 5 20 IIBD CC[C@@H](NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)c1ccc(Cl)s1 510709118 IJBJDTSATRQMRM-GFCCVEGCSA-N 432.889 4.045 5 20 IIBD Cc1nc(-c2cccc(NC(=O)CSc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)n[nH]1 511313082 BXRLGNTYQZNXAM-UHFFFAOYSA-N 437.403 4.438 5 20 IIBD COc1ccc(C2(CN[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CCCCC2)cc1OC 512232497 CPGBNCRKUOOVGQ-KRWDZBQOSA-N 441.528 4.431 5 20 IIBD CC(C)Oc1ccc([C@@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)N(C)C)cc1 512815152 PZGZMIKKADJANF-HSZRJFAPSA-N 440.544 4.359 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)NC2(c3ccc(Cl)cc3)CCCCC2)cc1[N+](=O)[O-] 513563550 UEQTYZLNIYITTN-UHFFFAOYSA-N 436.917 4.241 5 20 IIBD CCCc1[nH]nc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)c1[N+](=O)[O-] 517579439 XBPNWCYGXJAVQL-UHFFFAOYSA-N 430.468 4.053 5 20 IIBD COc1ccc2[nH]cc(C3CCN(C(=O)c4cc(O)nc5ccc([N+](=O)[O-])cc45)CC3)c2c1 518892637 VFODGLCUTKOVQG-UHFFFAOYSA-N 446.463 4.358 5 20 IIBD Cc1cccc(COc2cccc(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)c2)c1 518896716 FOKGRRJLSGTOIS-UHFFFAOYSA-N 429.436 4.315 5 20 IIBD C[C@H]1CCC[C@H](OCc2cccc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)c2)C1 520126849 IKGYRPBUZCRKRY-JTSKRJEESA-N 439.512 4.449 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)c1 520270453 OLAYLDFVZPZQJH-UHFFFAOYSA-N 446.463 4.446 5 20 IIBD COc1ccccc1[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccccc1 520798891 GDNXFAVYBZLNMO-QHCPKHFHSA-N 428.448 4.309 5 20 IIBD C[C@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)NCc1ccco1 521545204 NXMXNTMHOVNTSL-ZDUSSCGKSA-N 443.843 4.068 5 20 IIBD CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 522159474 DNVOZDJFIGGYBX-WMLDXEAASA-N 439.603 4.163 5 20 IIBD COc1cccc(CN(C[C@@H]2CCCO2)C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c1 523891341 VGEMSRVOUFSLFA-IBGZPJMESA-N 448.903 4.234 5 20 IIBD Cn1cc(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 524056632 UXZUBKXTQQGFEX-UHFFFAOYSA-N 444.413 4.476 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N[C@H](c1ccc(F)cc1)c1cccs1 525802478 PGLIQXRMTVEXSO-OAQYLSRUSA-N 428.441 4.015 5 20 IIBD O=C(Nc1cc(Cl)cc(Br)c1O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 530895446 CVTFOTMPNFCAEN-UHFFFAOYSA-N 438.621 4.222 5 20 IIBD CCOc1cc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1O[C@@H](C)C(=O)N(C)C 531206459 FHWFRMNZFKFSMG-SJORKVTESA-N 429.517 4.008 5 20 IIBD O=[N+]([O-])c1cc(CNCc2ccc3c(c2)CCS3(=O)=O)ccc1Oc1ccc(F)cc1 532068160 XJASINZYMQQXOE-UHFFFAOYSA-N 442.468 4.146 5 20 IIBD CCCN(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1nnc(-c2ccccc2Cl)o1 532721490 HMKGYDCEZQZION-UHFFFAOYSA-N 443.891 4.457 5 20 IIBD O=C(Nc1cnn(-c2ccccc2Br)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 534464187 FVEALXRBASBXOQ-UHFFFAOYSA-N 426.230 4.277 5 20 IIBD CCn1c(S[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nc2ccc(F)cc2c1=O 534496203 FBNMJWQWTJPYRD-NSHDSACASA-N 441.444 4.367 5 20 IIBD Cc1cccc(Cl)c1NC(=O)CSCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 535244223 YIHMTYLVKGJHJI-UHFFFAOYSA-N 435.889 4.227 5 20 IIBD CCO[C@H](C)c1nc(CN2CCN(c3cc(C)nc4c([N+](=O)[O-])cccc34)CC2)cs1 537348575 XUQQDIHRKITUDS-MRXNPFEDSA-N 441.557 4.328 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CC=C(c3ccc4c(c3)OCCO4)CC2)cc1SC 537761300 BZFCOEXYBGGTID-UHFFFAOYSA-N 442.493 4.026 5 20 IIBD CC[C@H](NCc1ccccc1CS(=O)(=O)N1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 537953736 GQCMTIDMKKSEOW-QHCPKHFHSA-N 445.585 4.397 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)c1 538425770 APDXZVPGYRBEPX-UHFFFAOYSA-N 434.514 4.024 5 20 IIBD C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1F 542540574 HLAFLPBKSSBUAL-GFCCVEGCSA-N 441.381 4.332 5 20 IIBD O=C(CCN1C(=O)CSc2ccccc21)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 542927727 NNUZYCKMSKNHNM-UHFFFAOYSA-N 425.388 4.081 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCO[C@H](CCc3ccccc3)C2)cc1[N+](=O)[O-] 543597640 HJGOHBNREBCSAO-QGZVFWFLSA-N 433.302 4.140 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC[C@@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1 544715116 YWHAQOFMQJQLES-LJQANCHMSA-N 446.916 4.305 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)c1 549199783 GRJMVWZIJCDLPF-UHFFFAOYSA-N 437.427 4.315 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)n(Cc2ccccc2)n1 550186942 SXRUZDQBHFGGKP-UHFFFAOYSA-N 429.274 4.471 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 552530398 FJNVCNNSTRRANZ-CHWSQXEVSA-N 442.463 4.234 5 20 IIBD COc1cccc(OC(F)(F)F)c1CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 553729695 SUTNDQYIAPRVKB-UHFFFAOYSA-N 439.390 4.350 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 557172346 BPYLIRCKHPMXHC-HXUWFJFHSA-N 438.402 4.277 5 20 IIBD O=C(c1[nH]ccc1-c1c(Cl)cccc1Cl)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 559768608 WZPALPBNXHYFBO-UHFFFAOYSA-N 446.294 4.254 5 20 IIBD O=C(c1c(F)cccc1F)N1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 589865782 ZOVDRGALTWGMDA-UHFFFAOYSA-N 431.442 4.264 5 20 IIBD CC(C)NC(=O)c1ccc(N[C@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)c([N+](=O)[O-])c1 590141954 WTAPVJDDAXUSIW-YWZLYKJASA-N 442.491 4.036 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3c(O)n[nH]c3-c3ccccc3)cc2[N+](=O)[O-])C1 590561707 FQHJZQFJCUQGPX-GASCZTMLSA-N 435.484 4.425 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])N1CCc2[nH]c3ccc(Br)cc3c2C1 603524832 AAYIGTJILHLUIF-UHFFFAOYSA-N 443.301 4.226 5 20 IIBD COc1cc(C(=O)N[C@H](C)c2cccc(OC(F)F)c2)c([N+](=O)[O-])cc1OC(F)F 603668667 JBZHHXDHRLMBPX-SECBINFHSA-N 432.326 4.297 5 20 IIBD C[C@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(OCc2cccnc2)cc1 603714175 SHJZKFLNQMVIPB-KRWDZBQOSA-N 435.484 4.041 5 20 IIBD COc1ccccc1-c1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)n(-c2ccccc2)n1 603760384 MRDZGESVUILUPU-UHFFFAOYSA-N 444.447 4.474 5 20 IIBD O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@@H]1CCCN(c2nc3ccccc3s2)C1 608789363 WLHCCACASBGICC-OAHLLOKOSA-N 448.508 4.450 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@H](c3nc(C4CC4)no3)C(C)C)cc2[N+](=O)[O-])CC1 609022445 MWLZCTFUDZUUCB-IBGZPJMESA-N 427.505 4.219 5 20 IIBD O=C1C[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CN1c1ccccc1Cl 609600603 LBRIPKZMAOKKAR-AWEZNQCLSA-N 428.901 4.267 5 20 IIBD Cc1ccccc1C[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 609633258 OXWQQAJKLBUPSB-MRXNPFEDSA-N 439.331 4.062 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 610046674 WZCUVDAPIUINNA-LJQANCHMSA-N 443.931 4.240 5 20 IIBD O=[N+]([O-])c1ccc(NCc2ccc(-c3ccncc3)cc2)c(S(=O)(=O)N2CCCC2)c1 610076980 JTAAPPPSCBGZCW-UHFFFAOYSA-N 438.509 4.053 5 20 IIBD COC(=O)C(C)(C)c1ccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 610188996 GLPGETDVUVETHD-UHFFFAOYSA-N 425.466 4.421 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(Nc2cnn(CC3CC3)c2)c([N+](=O)[O-])c1 610285022 DJIWJGDXOINOGG-UHFFFAOYSA-N 441.513 4.160 5 20 IIBD CCc1ccc(C(=O)Nc2cc(C(=O)OC)c(F)cc2Br)cc1[N+](=O)[O-] 610434473 FVWANCUWBWGRBD-UHFFFAOYSA-N 425.210 4.098 5 20 IIBD Cc1nc(N2CCOCC2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611207068 OIZZZFSMFPYJHL-UHFFFAOYSA-N 442.541 4.422 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC(OCc2ccccc2F)CC1 611262094 WSXBGMHSLHBVRY-UHFFFAOYSA-N 437.265 4.318 5 20 IIBD CCn1c([C@@H]2CCCN2S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])nc2ccccc21 725838017 FJEKEVBKZGOJOC-KRWDZBQOSA-N 434.905 4.144 5 20 IIBD Cc1nc(-c2ccco2)ccc1C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 726233362 YUKWBJCSJJZVCT-GFCCVEGCSA-N 429.816 4.396 5 20 IIBD O=C1CN(CN(Cc2ccc(Cl)c(Cl)c2)C2CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 726587214 WECMNGCCYSCPIC-UHFFFAOYSA-N 449.294 4.292 5 20 IIBD NC(=O)c1oc2ccccc2c1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 728303281 KLGVDEFGPQQDPQ-UHFFFAOYSA-N 430.420 4.304 5 20 IIBD CC(C)COc1ccc(CC(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1 730398957 NHDYKRKNJFRPPJ-UHFFFAOYSA-N 427.501 4.027 5 20 IIBD Cc1nc(-c2cccs2)sc1C(=O)O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 731507783 JIARDSJWLLVBLC-AWEZNQCLSA-N 429.479 4.051 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)c1cc(S(=O)(=O)C(C)C)ccc1F 732395836 JWWHQPAHBVDKPK-UHFFFAOYSA-N 439.461 4.060 5 20 IIBD C[C@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1nc2ccc(Cl)cc2[nH]1 732517103 GMIVLZAGLFIFMC-HZMBPMFUSA-N 448.888 4.095 5 20 IIBD C[C@H]1CCCCN1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 733777462 CGBLPKWCSAUVSX-VQTJNVASSA-N 428.577 4.312 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccc(CC[C@H](O)c3ccccc3)cc2)ccc1[N+](=O)[O-] 734415987 IOCUUPDOIWECDD-QFIPXVFZSA-N 426.494 4.370 5 20 IIBD C[C@@H](OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1ccc(OC(F)F)cc1 734725080 CSJVRMXTMJJHDF-BXUZGUMPSA-N 440.424 4.167 5 20 IIBD COc1cc(CN[C@H]2CCCc3nc(C)ncc32)c([N+](=O)[O-])cc1OCc1ccccc1 734850142 QZYJXYCKWOBRGX-FQEVSTJZSA-N 434.496 4.448 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSc1nc2ccc([N+](=O)[O-])cc2s1 735230476 CLZDMNCTGGJTBL-UHFFFAOYSA-N 432.439 4.203 5 20 IIBD COC(=O)Nc1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1 737600993 QYVMNPOKZSXFSD-UHFFFAOYSA-N 448.479 4.358 5 20 IIBD O=C(Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 739817129 GYNMRSZKXPLISB-KRWDZBQOSA-N 428.464 4.177 5 20 IIBD CCCN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)[C@@H]1C[C@@H](OCC)C12CCCC2 740803689 RHDBFJXZUGTBPO-FGZHOGPDSA-N 445.560 4.021 5 20 IIBD CCCCCC[C@@H](C)C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 741881376 PZHFXTVZSRNDQQ-CYBMUJFWSA-N 425.532 4.429 5 20 IIBD Cc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c(Br)c1 746612104 PVBIYYOHOXZTNC-UHFFFAOYSA-N 440.193 4.452 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NOCc1ccc(C(F)(F)F)cc1 747578028 LHOUVCSLDQKYEI-UHFFFAOYSA-N 426.394 4.422 5 20 IIBD Cc1nc(C(=O)Oc2ccc(Cc3ccccc3)cc2[N+](=O)[O-])nn1-c1ccc(F)cc1 749063081 VZLWWUJTGODULC-UHFFFAOYSA-N 432.411 4.433 5 20 IIBD O=C(CSc1ccc(Br)cc1[N+](=O)[O-])Nc1ccc(F)c([N+](=O)[O-])c1 749133793 WORMDWUUTQWGRF-UHFFFAOYSA-N 430.211 4.135 5 20 IIBD CCCOC(=O)c1cc(-c2cncnc2)ccc1NC(=O)c1ccc(NCC)c([N+](=O)[O-])c1 749163068 QCRBPTSJXUBQBD-UHFFFAOYSA-N 449.467 4.303 5 20 IIBD O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Br)cc1[N+](=O)[O-] 750842609 RUHPHTMPVQNKGP-UHFFFAOYSA-N 448.185 4.278 5 20 IIBD O=C(Nc1nnc(CC(F)(F)F)s1)c1cc(Br)cc([N+](=O)[O-])c1Cl 750913973 INABVKZZBTUHRC-UHFFFAOYSA-N 445.604 4.219 5 20 IIBD COc1cc(C(=O)Nc2cccc(C)c2C(=O)NCCc2ccccc2)ccc1[N+](=O)[O-] 751114100 VEGFJVVPEUKZBL-UHFFFAOYSA-N 433.464 4.137 5 20 IIBD O=C(Nc1ccc(OC2CCCCC2)cc1)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 751277224 CSVWDTYTPQZQIW-UHFFFAOYSA-N 443.412 4.238 5 20 IIBD C[C@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1noc(Cc2ccccc2)n1 755022536 QXLUADZJSPUTTL-NSHDSACASA-N 446.261 4.214 5 20 IIBD CC(=O)N[C@H](CC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 755371495 WDGZGLYNJDSMHD-OAHLLOKOSA-N 440.681 4.217 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)OCc1nc(-c2ccc(Br)s2)no1 756538201 UOEGMJSHXVGKJQ-UHFFFAOYSA-N 438.259 4.145 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N(Cc1cccnc1)Cc1ccco1 757163521 KSZJQCBGCRTFJW-UHFFFAOYSA-N 434.221 4.327 5 20 IIBD COc1ccc(C(C)(C)C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC 758145833 LQTQDACXZXQGEY-ZDUSSCGKSA-N 441.440 4.244 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2ccc([N+](=O)[O-])n2C)c2ccccc2)cc1Cl 761047281 FDOLTZKJLBZCGM-LJQANCHMSA-N 427.844 4.432 5 20 IIBD C[C@](CO)(NC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)C1CC1 762297675 GMOXUIQFOIBTJG-HXUWFJFHSA-N 437.855 4.140 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1Cc2ccc(Br)cc2C1 765218661 QEDNYMZKBMUEIO-UHFFFAOYSA-N 425.666 4.322 5 20 IIBD O=C(OCc1ccc(Oc2ccccc2)nn1)c1ccc(Br)cc1[N+](=O)[O-] 766117303 DCLBMJPMXLUCGZ-UHFFFAOYSA-N 430.214 4.297 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 766225327 LSDMZEWXWFYFJM-NSHDSACASA-N 435.352 4.019 5 20 IIBD Cc1noc(-c2ccccc2)c1NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 766363252 IJYIHWLKMGWBEE-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD COc1ccc(C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cc1C1CC1 766387043 FWMFSALVSLJMFA-LJQANCHMSA-N 426.469 4.294 5 20 IIBD COc1ccc([C@H](OC(=O)CCn2cc([N+](=O)[O-])nc2C)c2ccc(Cl)cc2)cc1 766514743 KXSNKIGJBLYEHQ-OAQYLSRUSA-N 429.860 4.485 5 20 IIBD Cc1sc(S(=O)(=O)Nc2cccc3c2CCN3C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 767468306 CAHKFVRUVAPDHN-UHFFFAOYSA-N 439.515 4.063 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccccn1 768410854 DAVCFFMQMSXYJH-LLVKDONJSA-N 432.893 4.041 5 20 IIBD C[C@@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC[C@H]1NC(=O)OC(C)(C)C 769422122 DVIRAJPAMNPGQC-IUODEOHRSA-N 428.327 4.092 5 20 IIBD COc1cc(C(=O)OCCn2ccnc2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 771875120 ONVOGCILDXSCHJ-UHFFFAOYSA-N 431.832 4.411 5 20 IIBD O=C(OCc1noc(C2CCCCC2)n1)c1cc([N+](=O)[O-])c(Br)cc1F 773177565 VXXPVYXPSQWLOW-UHFFFAOYSA-N 428.214 4.284 5 20 IIBD CC(C)c1ncc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)s1 773195421 PHCSUZBOFCGGTC-LLVKDONJSA-N 446.510 4.482 5 20 IIBD Cc1cccc(NC(=O)[C@H](C)OC(=O)c2sc(Br)cc2[N+](=O)[O-])c1C 773604967 LFILSCLDCOURJX-JTQLQIEISA-N 427.276 4.220 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1c(F)cc(Cl)cc1F 774621869 FFCUWFVSSMJMPY-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD O=C(C[C@H]1C=CCCC1)NCCN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 777412623 GROAGQVMHKFTPR-MFVBVHDHSA-N 449.916 4.147 5 20 IIBD CSCc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1C 777648692 BRSGEDFLQYYZLX-UHFFFAOYSA-N 431.333 4.330 5 20 IIBD O=C(O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)c1csc(Cc2ccccc2)n1 778804883 BLCXCXGPIPQGLI-INIZCTEOSA-N 427.457 4.217 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 779018911 MWTFOQDZZUXOLO-CABCVRRESA-N 437.562 4.471 5 20 IIBD CN(C[C@@H]1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1)C(=O)OC(C)(C)C 780603390 FXAKLKGKGLNVKC-INIZCTEOSA-N 435.524 4.010 5 20 IIBD CN(Cc1ccccc1NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C1CCCCC1 781594603 CBCCUISFMUUKES-HSZRJFAPSA-N 436.512 4.491 5 20 IIBD O=C(NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@@H](Sc1ccccc1)c1ccccc1 781837367 KTPFGIDPPYGINR-IBGZPJMESA-N 446.481 4.072 5 20 IIBD COc1ccc(OCCSc2nnc3n(C(C)C)c4ccccc4n23)c([N+](=O)[O-])c1 782311497 DAOOGPPDVTZMII-UHFFFAOYSA-N 427.486 4.353 5 20 IIBD O=Cc1ccc(OCC(=O)Nc2ccc(Oc3nncc4ccccc34)cc2)c([N+](=O)[O-])c1 783602753 LFAGPMGLTGDAGQ-UHFFFAOYSA-N 444.403 4.160 5 20 IIBD Cc1nc(Cl)ccc1NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 788802697 WEPKBHFKWOEEGU-UHFFFAOYSA-N 443.813 4.325 5 20 IIBD Cc1coc(-c2ccc(C)c(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)c2)n1 790398556 IMZXLXLPKNVPNT-UHFFFAOYSA-N 446.441 4.192 5 20 IIBD C[C@H](Cc1noc(-c2cc([N+](=O)[O-])ccc2N2CCCCC2)n1)N(C)C(=O)OC(C)(C)C 795758632 KBVZONYDJBXAEQ-OAHLLOKOSA-N 445.520 4.433 5 20 IIBD O=C(C[C@@H]1CCCOC1)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 795912306 KHZHXJSEHMFUGH-VBKZILBWSA-N 432.860 4.288 5 20 IIBD C[C@H](c1ccccc1)N(C1CC1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 796122990 KJRSVPFZQFFHRP-GFCCVEGCSA-N 425.304 4.272 5 20 IIBD C[C@@H](OC(=O)c1ccnc(-c2ccccc2)c1N)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 797484492 XFEGBSIHZIVXNZ-CYBMUJFWSA-N 431.408 4.207 5 20 IIBD COCc1nc(C(=O)O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c(-c2ccccc2)s1 799594932 RPKOROAREDAEAM-CYBMUJFWSA-N 441.465 4.049 5 20 IIBD O=[N+]([O-])c1ccc(CN[C@@H](CO)c2ccc(Br)cc2C(F)(F)F)cc1F 801555336 LBXXPBVPFJCREV-AWEZNQCLSA-N 437.187 4.338 5 20 IIBD O=C(COC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)Nc1cc(Cl)ccc1[N+](=O)[O-] 801897723 JHLFTKUFSALLAJ-OAHLLOKOSA-N 434.729 4.460 5 20 IIBD O=C(CCCc1ccc(O)c(F)c1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 803545890 QHTWACNHISFAFL-UHFFFAOYSA-N 437.265 4.110 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 807795972 NOSHSPQSKMNVCC-OAQYLSRUSA-N 440.421 4.023 5 20 IIBD C[C@@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@H]1CNC(=O)OC(C)(C)C 809920444 ZNLWCFUXNJLIQN-DOMZBBRYSA-N 426.901 4.405 5 20 IIBD Cc1ccc([C@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@H](C)S(C)(=O)=O)cc1 809998658 GEYLGIIPKKENNM-YVEFUNNKSA-N 431.341 4.474 5 20 IIBD O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813043143 FKBJWECBWGHOIT-CQSZACIVSA-N 428.659 4.090 5 20 IIBD CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](COC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 813154865 KUSKULPHVBFJFB-ZDUSSCGKSA-N 440.399 4.390 5 20 IIBD O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCC[C@@H](c2nnc(S)n2C2CC2)C1 813450184 LGXSQERZQBGCLQ-SECBINFHSA-N 442.328 4.137 5 20 IIBD C[C@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1ccc(N2CCCOC2=O)cc1 814356608 ZIHQTDAUWRHGTQ-LBPRGKRZSA-N 435.839 4.154 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C(=O)Nc1ccccc1C(F)(F)F 814484914 PEWBLIKUNSFMAU-JTQLQIEISA-N 443.353 4.003 5 20 IIBD C[C@@H](NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1ccc(C(F)(F)F)nc1Cl 816762424 YMBWYFFDILAVHQ-MRVPVSSYSA-N 440.765 4.407 5 20 IIBD O=C(O)CCCc1ccc(NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)cc1 821191970 QSYJCWGYQUSJQF-UHFFFAOYSA-N 433.269 4.110 5 20 IIBD Nn1c(COc2c(Cl)cccc2Cl)nnc1S/C=C\c1ccc([N+](=O)[O-])o1 825297165 MLVUEIUERVXTJW-SREVYHEPSA-N 428.257 4.142 5 20 IIBD CCOC(=O)C1=C(C)N([C@@H](C)CC)C(=O)N[C@@H]1c1ccc(Br)c([N+](=O)[O-])c1 839950357 QBZXHRIQLSJJFR-MGPLVRAMSA-N 440.294 4.059 5 20 IIBD COc1cc(-c2nc([C@@H]3C=CC=NC3=O)no2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 904755906 SPYMKAIHAWIKBA-ZDUSSCGKSA-N 440.799 4.350 5 20 IIBD CC(C)[C@@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)ccc1Cl 915368756 NCRXUBBYEMNPAF-MRXNPFEDSA-N 426.256 4.304 5 20 IIBD O=C(COC(=O)CCOc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)c(C(F)(F)F)c1 915450452 IDPOGDBAFSALIB-UHFFFAOYSA-N 446.765 4.218 5 20 IIBD CCOc1cccc(CNc2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])c1 917076857 UXDINQSSULOKDI-UHFFFAOYSA-N 426.223 4.285 5 20 IIBD C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 917301951 XJVSBUOZJAFRPI-SNVBAGLBSA-N 438.223 4.462 5 20 IIBD CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCc1cccc([N+](=O)[O-])c1C 918965415 OAJDGEAFAXKERK-QGZVFWFLSA-N 436.917 4.152 5 20 IIBD CN(C(=O)COC(=O)c1ccc(Oc2ccc(Cl)cn2)cc1)c1ccc([N+](=O)[O-])cc1 1251784716 BFNBGTCZKZZLHC-UHFFFAOYSA-N 441.827 4.255 5 20 IIBD COc1ccc(-c2ccc(C(=O)N3CCN(Cc4cccc([N+](=O)[O-])c4)CC3)c(F)c2)cc1 1318301849 HOGGIAMTIKAELY-UHFFFAOYSA-N 449.482 4.368 5 20 IIBD Cc1cccc(C(=O)NC2(c3ccc(NC(=O)Cc4cccc([N+](=O)[O-])c4)cc3)CCC2)n1 1785791659 FTCKGWAEIUMRBZ-UHFFFAOYSA-N 444.491 4.289 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3nc[nH]c3[N+](=O)[O-])cc2)CCC1)c1ccc2occc2c1 1788612248 ISFVUVBOJYNFNY-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD CCc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])[nH]4)cc3)CCC2)cc(C)n1 1790185760 DXLLGEFHZJXBBB-UHFFFAOYSA-N 447.495 4.250 5 20 IIBD CCC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3cccc([N+](=O)[O-])c3)n[nH]2)CCC1 1814375099 JKLHIQILHVDKMA-LJQANCHMSA-N 439.516 4.133 5 20 IIBD CC[C@H](C)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])[nH]n1 1815045377 NJOMLTBKTIITMW-GUYCJALGSA-N 431.468 4.199 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)c(F)c2)CC1 1830095913 ZIJBUXGVVLVDFW-GOSISDBHSA-N 447.438 4.013 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@]2(C)C[C@@H]2C)CC1 1830223354 IIHNTXIYTXQNAR-CCQPRUGESA-N 445.535 4.322 5 20 IIBD CNc1ccc(C(=O)OCc2csc(N(C(C)=O)c3ccccc3F)n2)cc1[N+](=O)[O-] 9924109 ZCJUDJLPJGXDJM-UHFFFAOYSA-N 444.444 4.274 5 20 IIBD CNc1ccc(C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1[N+](=O)[O-] 9924536 MWWRRKJOJSYBCX-UHFFFAOYSA-N 432.647 4.392 5 20 IIBD O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 15379613 APIQCVKMEBCCMC-UHFFFAOYSA-N 432.484 4.406 5 20 IIBD CCNc1ccc(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1[N+](=O)[O-] 23660344 HVVDAQNPSQIDAI-UHFFFAOYSA-N 428.470 4.420 5 20 IIBD O=C(CSc1nccn1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Br 27485478 IIVINDZFUANPJW-UHFFFAOYSA-N 433.287 4.274 5 20 IIBD O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] 36796238 JLWOAOHKBFBIJG-UHFFFAOYSA-N 443.916 4.496 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])Nc1ccc(I)cc1Cl 61116332 TXKWBFBCLFSOML-UHFFFAOYSA-N 431.617 4.175 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1sc2c(c1C(=O)c1ccco1)CC[C@H](C)C2 61157852 FNLSJQVDNIRBGQ-LBPRGKRZSA-N 442.497 4.139 5 20 IIBD O=C(NCc1ccc(Cn2cnc3ccccc32)cc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 61508956 RWLSSSKXANPHPR-UHFFFAOYSA-N 425.448 4.404 5 20 IIBD Cc1ccccc1CN1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 65099887 IZMPKPWPMHLDTI-UHFFFAOYSA-N 436.537 4.375 5 20 IIBD O=C1[C@H](Sc2nnc(NCc3ccc(F)cc3)s2)CCN1c1cccc([N+](=O)[O-])c1 78768353 GMORTHOIQVSBMJ-MRXNPFEDSA-N 445.501 4.095 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)OCc1nc(-c2cccc(Br)c2)no1 205739234 GRRALXJXBIIVLH-TWGQIWQCSA-N 430.214 4.164 5 20 IIBD O=C(Nc1nc(-c2cccs2)cs1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303411209 AFKFVWLXKIABMJ-NSHDSACASA-N 434.524 4.085 5 20 IIBD O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 409582064 NYBZZDHHMDOVNP-DNVCBOLYSA-N 438.402 4.434 5 20 IIBD COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] 428879562 HGXLBEGKLUJKSD-UHFFFAOYSA-N 430.766 4.082 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H](C(=O)O)c1ccc(Cl)c(F)c1 431773020 NLQGZXMTPAGFIK-HNNXBMFYSA-N 433.244 4.075 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H]1c1cccc2c1OCCO2 431917968 CEGGHDPQOPLXBR-MRXNPFEDSA-N 433.258 4.106 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC(c2nc3ccccc3[nH]2)CC1 432210743 QIVSAOWEEALWLK-UHFFFAOYSA-N 429.274 4.253 5 20 IIBD C[C@@H]1CN(CCCNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCCO1 432550290 SLIXUPORBZPXDL-MRXNPFEDSA-N 447.919 4.271 5 20 IIBD COc1ccc(CNC(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cc1[N+](=O)[O-] 434962015 JGSJKKKLQOLPTA-GFCCVEGCSA-N 444.435 4.168 5 20 IIBD CCC[C@@H]1CCc2nc(NC(=O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)sc2C1 435016478 OJYGZNPVILHCDK-CQSZACIVSA-N 442.541 4.086 5 20 IIBD Cc1c(COC(C)(C)C)cccc1NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437061819 MIFNTFDJKXJWSL-UHFFFAOYSA-N 439.512 4.348 5 20 IIBD COC(=O)c1ccc(C)c(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 439222069 IUWVURALGHUBTG-UHFFFAOYSA-N 440.477 4.085 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cc(-c2nc[nH]n2)ccc1F 439283535 XNSSSAXCFZQQSQ-UHFFFAOYSA-N 441.366 4.269 5 20 IIBD C[C@@H]1OCC[C@]12CN(C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])C[C@@H](C)O2 442807244 DSCSOUZXIVZOIF-VVBPWWLESA-N 428.510 4.155 5 20 IIBD O=C(Nc1cccn(Cc2ccccc2)c1=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444230857 BSKUZXGHYUPNKN-UHFFFAOYSA-N 439.446 4.283 5 20 IIBD Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444851786 UCLBXODBLCWJSQ-UHFFFAOYSA-N 444.451 4.354 5 20 IIBD COc1ccc(NC(=O)Cc2noc(-c3ccc(SC)c([N+](=O)[O-])c3)n2)cc1Cl 445373670 IQXXHMNNONAEKP-UHFFFAOYSA-N 434.861 4.210 5 20 IIBD C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCN1Cc1ccccc1 446244917 DIHXYGFEGJHTOS-MRXNPFEDSA-N 446.345 4.023 5 20 IIBD CCCOc1ccc(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OCCC 446471558 MNWKTCBEOWDWDR-UHFFFAOYSA-N 435.864 4.403 5 20 IIBD COc1ccccc1-c1csc([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3O)C2)n1 446781984 BDJDPWUOPQLGMR-AWEZNQCLSA-N 439.493 4.452 5 20 IIBD CN(C)CCOc1ccc(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])cc1 447695695 YJFPMCMKOCKKEH-UHFFFAOYSA-N 434.365 4.196 5 20 IIBD CCc1cnc(CNc2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2[N+](=O)[O-])s1 462941319 QMSXASQRDLNKIX-UHFFFAOYSA-N 446.554 4.441 5 20 IIBD Cc1sc(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)nc1-c1ccc2c(c1)CCC2 464087213 MBUDIIADGVCAFF-UHFFFAOYSA-N 446.492 4.348 5 20 IIBD CCN(C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H](c1ccc(C)cc1)c1cccnc1 465133795 UZUCWFDZFVMXLS-VWLOTQADSA-N 447.491 4.250 5 20 IIBD CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])cc2)c1 466287283 IMDOXHHIAMKRNA-UHFFFAOYSA-N 430.413 4.182 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1cc2cc(Br)ccc2[nH]1 466348082 UASFEDRMHAVUAP-UHFFFAOYSA-N 427.258 4.179 5 20 IIBD CC(C)CO[C@H]1CCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 469033200 SNIBIYICNHDDFM-KRWDZBQOSA-N 443.466 4.104 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](c2cccc(Cl)c2)C1 469341068 NIKSQFUKXNXTCL-SFHVURJKSA-N 436.917 4.200 5 20 IIBD COc1ccc(NC(=O)CCN2CCC(=Cc3ccc(F)c(F)c3)CC2)c([N+](=O)[O-])c1 469445962 JADFKMLEYUWULT-UHFFFAOYSA-N 431.439 4.390 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N2C[C@H](C)O[C@H](C3CC3)C2)cc1[N+](=O)[O-] 470694297 PXOQFDRPFILRCM-XOBRGWDASA-N 440.521 4.187 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 470712917 GVYCOOYSVHQBJY-QGZVFWFLSA-N 447.278 4.381 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CN(c3cccc(CO)c3)C3Cc4ccccc4C3)n2)cc1 470871155 JFVLXYRTUUJXES-UHFFFAOYSA-N 442.475 4.311 5 20 IIBD COc1ccc(CN(C)[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)cc1O 471184768 BXZDWSQERCEIAL-HSZRJFAPSA-N 435.480 4.429 5 20 IIBD C[S@](=O)C[C@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 472102619 USDDHYYDYYNXCS-BGOLNKOXSA-N 437.521 4.057 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(Oc2nc(C)nc3scc(C)c23)c([N+](=O)[O-])c1 475453386 NBNVEBSZUQJKHH-UHFFFAOYSA-N 436.515 4.039 5 20 IIBD C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 475962027 ZACSSQXFERYZTI-HZPDHXFCSA-N 431.920 4.349 5 20 IIBD CCOC(=O)c1csc([C@H]2CCCN2c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)n1 478043195 BUHXWYKEJTZPCI-QGZVFWFLSA-N 439.497 4.335 5 20 IIBD C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2nc(-c3ccccc3Cl)cs2)C1=O 478947318 NGPYATBOZRNSDU-HXUWFJFHSA-N 442.884 4.339 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ncn(Cc2ccc(Cl)cc2)n1 480138263 MIEJAFYOFGMFRT-UHFFFAOYSA-N 443.894 4.087 5 20 IIBD O=C(Nc1nc2ccccc2n1CCc1ccccn1)c1cc2cccc([N+](=O)[O-])c2[nH]1 480353631 FPUSKUMKEUYWQF-UHFFFAOYSA-N 426.436 4.316 5 20 IIBD CCn1c(S[C@H]2CCCN(c3cccc(F)c3)C2=O)nnc1-c1ccc([N+](=O)[O-])cc1 481334837 CWEPCCHWQYTSBL-SFHVURJKSA-N 441.488 4.300 5 20 IIBD CN(Cc1ccc(F)cc1Br)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 482787982 IJDFMMASZRIKBX-UHFFFAOYSA-N 448.248 4.082 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(OC)ccc1Br 483099006 MBLVDTVZEDEMDL-UHFFFAOYSA-N 425.304 4.408 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CC[C@@H]4[C@@H](CCCN4C)C3)cc2[N+](=O)[O-])n1 483560090 OCAYHLVKJWFMNJ-JKSUJKDBSA-N 432.571 4.067 5 20 IIBD CN(C[C@H]1CCCC[C@H]1O)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 484461920 CEMANOYACFGEJM-IIBYNOLFSA-N 431.920 4.483 5 20 IIBD O=C(O)c1ccc(Oc2ccccc2)c(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1 485041867 JIEHNCIFVBGYHE-UHFFFAOYSA-N 432.385 4.025 5 20 IIBD CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1sc(Br)cc1[N+](=O)[O-] 486178275 QERYKXAYAKQPSV-UHFFFAOYSA-N 430.227 4.166 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1nc2c(Cl)cccc2s1 486179102 OMLMDHMHSNLBOD-UHFFFAOYSA-N 432.845 4.185 5 20 IIBD COC(=O)[C@H](NC(=O)c1cccc(SC)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 486551182 RMRMFPMSBAPNLE-CQSZACIVSA-N 429.281 4.268 5 20 IIBD CC(C)NC(=O)Cc1ccc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 487921161 QIDSXMFBWMZALV-UHFFFAOYSA-N 438.406 4.002 5 20 IIBD Cc1c([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)cnn1C 491446517 WGLOYAVSICBLRX-ZDUSSCGKSA-N 427.892 4.393 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1 494670821 ADWORZDJDOMTSJ-UHFFFAOYSA-N 442.449 4.052 5 20 IIBD C[C@@H](NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C(c1ccccc1)c1ccccc1 494684548 ZSBVZJASKZYTFT-GOSISDBHSA-N 433.512 4.358 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCCC[C@H]2c2nnc(C3CCOCC3)o2)cc1[N+](=O)[O-] 499105946 LXNJUSGUEONOMS-YJBOKZPZSA-N 443.504 4.178 5 20 IIBD COc1ccc(S(=O)(=O)N(Cc2cccnc2)c2cc(C)ccc2Cl)c([N+](=O)[O-])c1 500757232 GSUIYJYCRXFGOI-UHFFFAOYSA-N 447.900 4.356 5 20 IIBD CC(C)(C)C[C@H](NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)c1ccccc1 503364661 FOEKKDHWLZQLRW-KRWDZBQOSA-N 444.557 4.301 5 20 IIBD COc1ccccc1Nc1ccccc1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 503622772 SPJGXTNOMODONQ-INIZCTEOSA-N 433.468 4.069 5 20 IIBD O=C(Nc1ccc(Br)cc1)C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 504482783 IERFAFUPSXIEBL-UHFFFAOYSA-N 448.317 4.087 5 20 IIBD CCC1(C)CCN(C(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 504953482 KRPYSPZEZGOKQS-UHFFFAOYSA-N 431.514 4.048 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])Nc1ncc(Cc2cccc(Br)c2)s1 505384779 QYUSUTGSTUAUHP-UHFFFAOYSA-N 448.298 4.422 5 20 IIBD CCOc1ccc(NC(=O)CNc2ccc(F)cc2OCC(F)(F)F)c([N+](=O)[O-])c1 505789134 ZHESQBPKATYGKO-UHFFFAOYSA-N 431.342 4.124 5 20 IIBD CCCN(Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 506772255 NJKJVACCMONDNV-MRXNPFEDSA-N 438.933 4.440 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H](C[C@H]1CCOC1)c1ccccc1 510003835 FJUBFIDRSVHICO-KUHUBIRLSA-N 433.302 4.184 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCN(Cc2ccc(Cl)s2)CC1 510845971 XXFWXHVMLKWCPP-UHFFFAOYSA-N 446.863 4.261 5 20 IIBD CCCOc1ccccc1[C@H](CC(C)C)NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 513829446 CFAVBOZHUFDJLP-SFHVURJKSA-N 448.541 4.304 5 20 IIBD CCOC(=O)c1sc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)nc1C 514620528 QKXHQTJAGSLHQY-CHWSQXEVSA-N 446.529 4.271 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1 515520649 HGFBSQGFQKLCAG-UHFFFAOYSA-N 435.889 4.099 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](CO)Cc1ccccc1C(F)(F)F 515924501 FELNHSVPAHRJFY-CYBMUJFWSA-N 425.407 4.149 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)N1CCCCC[C@H]1c1ccccc1 520948668 WJDUMPPBFVMZED-KRWDZBQOSA-N 433.411 4.279 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CCC(=O)N1CCSc2ccccc21 520995162 CVALDQVNQXRXKM-UHFFFAOYSA-N 427.526 4.251 5 20 IIBD O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCc2sccc2[C@@H]1c1cccs1 521835891 XXQSUAJEOOWZKS-LJQANCHMSA-N 437.506 4.086 5 20 IIBD CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)cc1 522873659 LASZBTPOZZKMME-MRXNPFEDSA-N 445.541 4.261 5 20 IIBD Cc1c([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Br)cnn1-c1ccc(F)cc1 523509748 UZEXPRNJQCCDQD-NSHDSACASA-N 447.264 4.482 5 20 IIBD COC(=O)C[C@H](C)Sc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] 523752301 SPIVMJNYOYRIJH-AWEZNQCLSA-N 438.527 4.056 5 20 IIBD COc1cc(C(=O)NCC2(c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])cc1OC(F)F 524055152 JNMNSCQXVDJHLC-UHFFFAOYSA-N 426.803 4.320 5 20 IIBD O=C(Nc1ccc(OCCc2ccccc2)nc1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 524062212 MJKVUAQHFZKOSJ-UHFFFAOYSA-N 430.420 4.117 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1 524337110 HISHOMLMVWVLMA-UHFFFAOYSA-N 430.464 4.048 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H](C(=O)Nc1ccccc1)c1ccccc1 534640276 FBXNBANZJVKNIT-QHCPKHFHSA-N 428.448 4.115 5 20 IIBD CCc1ccnc(C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)c1 539298700 RGTOBLCMHOSRPX-UHFFFAOYSA-N 436.537 4.239 5 20 IIBD CSc1ccc([C@H](CC(=O)O)NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 539603348 AUJHVMKVJVTVBC-INIZCTEOSA-N 443.506 4.386 5 20 IIBD COc1ccccc1CC(=O)N1CCC(Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 540290732 OGOZPVIAPVWXBH-UHFFFAOYSA-N 437.418 4.268 5 20 IIBD O=C(CN[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] 543448175 XOYVKWPBUMVPKL-HXUWFJFHSA-N 433.443 4.053 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 543921323 KLPHDLBZDBANED-GOSISDBHSA-N 447.369 4.081 5 20 IIBD Cc1c(Br)cc(-c2nc([C@@H]3CC(=O)N(c4ccccc4)C3)no2)cc1[N+](=O)[O-] 545719205 OIARJHXIOYPHQT-CYBMUJFWSA-N 443.257 4.236 5 20 IIBD COc1cc(C(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)cc([N+](=O)[O-])c1OC 546540193 WRLGTRYJPKXITH-UHFFFAOYSA-N 436.346 4.069 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCC[C@@H](OCC(F)(F)F)C1 548033278 QRRPCNIGSPQPPW-CYBMUJFWSA-N 440.368 4.143 5 20 IIBD O=C([C@H]1Cc2ccccc2CN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCCC1 555314534 BTXHWUUSQVGUEU-HXUWFJFHSA-N 433.430 4.163 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCC(C(=O)N(C)C(C)C)CC3)c([N+](=O)[O-])c2)cc1 556030578 RDJVWXWDFGVKNI-UHFFFAOYSA-N 438.528 4.239 5 20 IIBD CC(C)(C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1[N+](=O)[O-] 556184387 YVDJPWCWOWCNDK-KRWDZBQOSA-N 435.446 4.282 5 20 IIBD CNC(=O)Nc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)ccc1F 561174679 BHAIFUPFSUQGKX-UHFFFAOYSA-N 437.431 4.350 5 20 IIBD O=[N+]([O-])c1ccccc1/C=C/CN(CCn1ccnc1)Cc1ccc(Br)o1 567099891 HMBPQOOSNXSEMU-HWKANZROSA-N 431.290 4.362 5 20 IIBD C[C@H](Nc1ccc(-c2nc(-c3ccc(N(C)C)nc3)no2)cc1[N+](=O)[O-])c1ccccn1 569515977 VDMJYEKYAMHVLS-AWEZNQCLSA-N 431.456 4.341 5 20 IIBD Cc1cccc(-c2nnc(N3CCc4ccc([N+](=O)[O-])cc4C3)n2Cc2ccccc2)n1 571609523 SRWPRDKWZOOUBL-UHFFFAOYSA-N 426.480 4.168 5 20 IIBD COc1cc(/C=C\c2nc(-c3ccc(F)cc3)cs2)c([N+](=O)[O-])cc1OCC(=O)O 581207956 HSHDXVRZCQWPHF-DAXSKMNVSA-N 430.413 4.500 5 20 IIBD C[C@@H](NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc(Br)cc1F 582749304 OEGTXBONUMNPHV-LLVKDONJSA-N 438.253 4.145 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1 582810878 WZURQBATVOIXRU-UHFFFAOYSA-N 432.477 4.408 5 20 IIBD O=C(NC[C@@H]1CCCN(CC(F)(F)F)C1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 590402097 RGRUFXYDAKTUDH-HNNXBMFYSA-N 437.418 4.391 5 20 IIBD Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 603743158 VWAZZLIWLLREBT-UHFFFAOYSA-N 432.358 4.457 5 20 IIBD O=C(CSc1nnc(-c2ccc3ccccc3c2)o1)NCCNc1ccccc1[N+](=O)[O-] 603950554 TWQVCXACOWXBFO-UHFFFAOYSA-N 449.492 4.118 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 603980921 KVDTYQYHKXHZPL-UHFFFAOYSA-N 436.383 4.121 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)cc1[N+](=O)[O-] 603981002 HRUYASJJCDFDQM-UHFFFAOYSA-N 436.383 4.121 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N[C@@H](c3ccccc3)c3nn[nH]n3)cc2[N+](=O)[O-])cc1 604512876 BMMUJKAOXWWBJS-FQEVSTJZSA-N 446.492 4.087 5 20 IIBD Cc1cc(C)nc(Sc2ccc(NS(=O)(=O)c3c(C)cccc3[N+](=O)[O-])cc2)n1 609218715 JGEULYNILCNWAE-UHFFFAOYSA-N 430.511 4.262 5 20 IIBD COc1ccc(NC(=O)c2nnn(-c3ccc(-c4ccccc4)cc3)c2C)c([N+](=O)[O-])c1 609407071 COHMZGRUORDVDN-UHFFFAOYSA-N 429.436 4.412 5 20 IIBD Cc1sc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)nc1-c1ccccc1 609496421 VFRCALXOKKHKBG-CQSZACIVSA-N 442.522 4.332 5 20 IIBD Cc1ccc(C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c2ccccn2)cc1 609676297 PPNDUQXSGYRZCT-NRFANRHFSA-N 425.510 4.177 5 20 IIBD Cc1cc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)ccc1OCCN1CCCC1 609887159 YPFUWKIJUPRPGI-QGZVFWFLSA-N 429.542 4.497 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H](c2cccc(F)c2)c2cnn(C)c2)cc1SC 609969688 ITKJDVRORLKXFG-FQEVSTJZSA-N 444.488 4.060 5 20 IIBD CCOC(=O)C1(CN[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCC1 610137085 WFWQYXIKETUHMK-IBGZPJMESA-N 445.903 4.251 5 20 IIBD COC(=O)c1cc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c(Br)cc1F 610181971 OMGKHTFPCCEBMB-UHFFFAOYSA-N 443.250 4.014 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(N2CCc3sccc3C2)nc1 610499740 SLDUZUPOAGRVCZ-UHFFFAOYSA-N 444.538 4.032 5 20 IIBD COc1cc(CNCc2ccc([S@](C)=O)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 610574876 NABGJYGFESKDSD-HKBQPEDESA-N 440.521 4.210 5 20 IIBD O=C(Nc1ccc(F)c(Cl)c1)C1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 611272083 QUFJQMROEQQPQB-UHFFFAOYSA-N 449.866 4.009 5 20 IIBD COc1ccc(C2(NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])CCOCC2)cc1 612037177 PSBPSBJHLLFKBX-UHFFFAOYSA-N 436.917 4.171 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O 616122729 KTCWKYHWUGCEPH-HNNXBMFYSA-N 436.390 4.157 5 20 IIBD CCOC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])cc2Cl)sc(C(C)=O)c1C 619569880 GRYBMLJPXMWLMW-UHFFFAOYSA-N 440.861 4.015 5 20 IIBD Cc1cc(C(=O)NC[C@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)cc([N+](=O)[O-])c1 728967382 AMYDWWAMFXFEJK-INIZCTEOSA-N 436.308 4.102 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 731033816 CZFQPILSYDNROK-RBZFPXEDSA-N 435.883 4.160 5 20 IIBD O=C(Nc1ccc(Cl)cn1)c1cccc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])c1 731464536 NEMQNAHUQFMZFL-UHFFFAOYSA-N 432.770 4.426 5 20 IIBD CCOc1cc(C(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])cc1OC 731835041 ZMQLETLIRGLHSS-NRFANRHFSA-N 448.903 4.241 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC([C@H](O)c2ccc(F)cc2)CC1 736210517 XUHJQZQMTQGMPO-OAQYLSRUSA-N 436.867 4.128 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NC[C@@H](O)c3ccc(C)o3)c([N+](=O)[O-])c2)c(C)c1 741242662 JLSKCKXUMSJAQO-HXUWFJFHSA-N 445.497 4.059 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1Cc2ccccc2C[C@H]1c1ccccc1 742775251 AGZHDGHLGCHESG-NRFANRHFSA-N 446.459 4.121 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 743729560 PEFSSRRRVQPRHF-UHFFFAOYSA-N 437.836 4.162 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(=O)Nc1cc(F)ccc1F 744554937 ZCCXWVZCSHZEKT-CYBMUJFWSA-N 433.411 4.047 5 20 IIBD C[C@@H](OC(=O)C1(c2cccc(C(F)(F)F)c2)CC1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 744941042 HSGRQZIUQFHBSH-LLVKDONJSA-N 440.349 4.355 5 20 IIBD CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c1 745171208 FMVSPQOPTUQVPK-ZDUSSCGKSA-N 447.875 4.417 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)c1 745390156 WTYJMWAAWHVMCH-QGZVFWFLSA-N 439.449 4.092 5 20 IIBD CN(CC(=O)OCc1cc(Cl)ccc1OCc1cccnc1)c1ccccc1[N+](=O)[O-] 745619152 UQGYURKZKNYIQA-UHFFFAOYSA-N 441.871 4.402 5 20 IIBD O=C(NC1CC1)c1cccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)c1 749568925 ZLLKPZDMTJABNY-UHFFFAOYSA-N 438.665 4.155 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@H]1C[C@@H](O)c1cccs1 750997879 DZAUKENNZVYVRE-SMDDNHRTSA-N 427.429 4.378 5 20 IIBD Cn1c([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2Br)nc2ccccc21 751109143 NVAOULUUFPZNMH-KRWDZBQOSA-N 429.274 4.221 5 20 IIBD CSc1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])c(Br)cc2F)cc1 751689819 BEPGMKGXHZVLNL-UHFFFAOYSA-N 443.250 4.014 5 20 IIBD CC(C)C(=O)N1CCC(C(=O)OCc2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)CC1 752218382 RJXJYAXVWGESDE-UHFFFAOYSA-N 426.469 4.325 5 20 IIBD O=C(COC(=O)c1c(F)ccc([N+](=O)[O-])c1F)c1ccc(NC(=O)c2ccccc2)cc1 752565838 BIRHIGSLCXOGRM-UHFFFAOYSA-N 440.358 4.165 5 20 IIBD O=C(CCN1CCC([C@H](O)c2ccc(Cl)cc2)CC1)Nc1cc([N+](=O)[O-])ccc1F 753920442 BLDBTFVJORADSI-OAQYLSRUSA-N 435.883 4.162 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1F 753957800 WHZRWQKVXHDPBC-UHFFFAOYSA-N 439.465 4.499 5 20 IIBD Cc1ccc([C@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1[N+](=O)[O-] 755015738 GUKQDWOIBXTJNN-VIFPVBQESA-N 426.198 4.204 5 20 IIBD O=[N+]([O-])c1nn(CN2CCC[C@@H]2c2ccccc2Br)cc1Br 755926909 ZRZWKUFNARUNCK-CYBMUJFWSA-N 430.100 4.111 5 20 IIBD O=C(Nc1ccccc1CCC(F)(F)F)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 757440541 VPDXPICKBXJUCS-UHFFFAOYSA-N 441.318 4.021 5 20 IIBD Cc1cc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cnc1O 757571670 GAMPBBLASCUXQT-UHFFFAOYSA-N 426.816 4.162 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl 759776290 YAHLTODVSJQJAJ-QGZVFWFLSA-N 449.939 4.193 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@H](c2nc(Cc3ccc(Oc4ncccn4)cc3)no2)C1 761896079 RVRUTAKPDSQVRH-IBGZPJMESA-N 444.407 4.017 5 20 IIBD CC(C)c1cccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 762047456 NYUVVYHZYXMEJS-LLVKDONJSA-N 425.363 4.316 5 20 IIBD O=[N+]([O-])c1cccc(Oc2ccc(-c3noc(-c4ccc(N5CCOCC5)nc4)n3)cc2)c1 762306782 CYRGBZKNFRHCOJ-UHFFFAOYSA-N 445.435 4.336 5 20 IIBD C[C@H](OC(=O)c1cc(N(C)C)nc2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 763285216 VHEMGFKYLWCTMD-LBPRGKRZSA-N 442.859 4.046 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2cnc3ccccc32)nc1 764187384 MTDVHISQZJBGLB-UHFFFAOYSA-N 449.492 4.320 5 20 IIBD CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1Br 764274568 MMDAKFLTTKLXHU-QGZVFWFLSA-N 449.301 4.040 5 20 IIBD O=c1c([N+](=O)[O-])cn(-c2nc(C3CC3)nc3scc(-c4ccccc4)c23)cc1[N+](=O)[O-] 765625117 WAGALPREOUSOLI-UHFFFAOYSA-N 435.421 4.203 5 20 IIBD CC(C)c1[nH]nc(C(=O)N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)c1[N+](=O)[O-] 771470067 LQUAIGSBUWJOGW-UHFFFAOYSA-N 443.504 4.059 5 20 IIBD CCCN(C(=O)c1ccccc1NC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)C(C)C 771533194 OWTUCASPWWQVQS-UHFFFAOYSA-N 428.489 4.186 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCCc3cnc(C)s3)c([N+](=O)[O-])c2)c(C)c1 771923588 UMESNISQLKLYEQ-UHFFFAOYSA-N 446.554 4.432 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@H]1CSCCN1C(=O)OC(C)(C)C 772062929 AULSVMHONAORKS-SFHVURJKSA-N 437.562 4.074 5 20 IIBD CC[C@@H](OC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1cc(C)ccc1OC 772496335 SCJJPBIZPMJDEU-QGZVFWFLSA-N 442.497 4.500 5 20 IIBD Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)c1sc(Br)cc1[N+](=O)[O-] 773611186 FRCMIDGIQKXJEP-SNVBAGLBSA-N 427.276 4.220 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CC[C@@](O)(c4ccc(F)cc4)C3)c([N+](=O)[O-])c2)cc1 776814822 JIXNUNWNDQABAP-DEOSSOPVSA-N 435.455 4.393 5 20 IIBD CCN(C(=O)c1cc([N+](=O)[O-])ccc1I)[C@H](C)Cc1ccsc1 778226320 OYEVQDUPWKLGDH-LLVKDONJSA-N 444.294 4.354 5 20 IIBD COc1cc(COC(=O)[C@@H](C)c2c(F)cccc2F)c([N+](=O)[O-])cc1OCC(F)F 780078680 PSFQVGFUHJJQCC-JTQLQIEISA-N 431.338 4.372 5 20 IIBD CCOc1cc(NC(=O)N[C@H]2CCCc3cn(C(C)C)nc32)c([N+](=O)[O-])cc1OCC 780418304 VHRBKNKPMDPONF-HNNXBMFYSA-N 431.493 4.369 5 20 IIBD COc1ccc(C)cc1-c1csc(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 781585586 OVGFHTHPMTYSLV-IBGZPJMESA-N 438.465 4.167 5 20 IIBD CC(C)[C@H]1C[C@@H](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)CCO1 781629024 RCQNUQDNHILSTP-HNAYVOBHSA-N 443.466 4.104 5 20 IIBD C[C@H](OC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1cccc2ccccc12 781734238 ASMBYEBQAYRGGF-AWEZNQCLSA-N 437.408 4.159 5 20 IIBD C[C@H](OC(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1)c1ccccc1[N+](=O)[O-] 781898420 RHJQPQCTXOKPKD-INIZCTEOSA-N 440.477 4.338 5 20 IIBD CC(C)(C)c1csc(C2CCN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)n1 782947899 ODTNDSJQMILEHK-UHFFFAOYSA-N 429.589 4.198 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)OCC[C@@H]2CCCCO2)cc1[N+](=O)[O-] 784957276 UHEVDMIAILOGON-KRWDZBQOSA-N 426.469 4.008 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Oc1cc(Br)cc(F)c1F 785382717 IXJZTYOVTIOJSJ-UHFFFAOYSA-N 428.594 4.057 5 20 IIBD COc1cc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cnc1Br 788463332 SDXIAZXESRRZKG-UHFFFAOYSA-N 449.286 4.161 5 20 IIBD COc1cc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccsc2)cc([N+](=O)[O-])c1C 790762908 COEUBIJVCINZAV-HXUWFJFHSA-N 426.494 4.349 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1c(-c2ccccc2C)noc1C 796212281 YGHNCWRNEBWPBO-AWEZNQCLSA-N 439.424 4.059 5 20 IIBD C[C@H](N[C@H]1[C@H](C)N(C(=O)OC(C)(C)C)CC[C@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 796646646 CCEOCBHEZKVLPU-LDDOYCOJSA-N 445.520 4.329 5 20 IIBD O=C(c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O)N1CCCCC[C@@H]1c1ccncc1 798280089 JLMRPMKBGJWCDM-MRXNPFEDSA-N 441.875 4.292 5 20 IIBD CC(=O)c1cc(Br)ccc1OCC(=O)OCc1ccc(Cl)cc1[N+](=O)[O-] 803803732 ZJSIWCYMPIHSJO-UHFFFAOYSA-N 442.649 4.336 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1 806121823 XMDDWWCXUZGPFF-HNNXBMFYSA-N 435.868 4.284 5 20 IIBD CC(C)C(=O)Nc1cccc(OS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)c1 809817371 YJNKUYWMJNNKGI-UHFFFAOYSA-N 433.269 4.264 5 20 IIBD CCC[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1Cl)C(=O)N1CCc2sccc2C1 809918248 WHUJNMHXOQTTFW-CQSZACIVSA-N 436.921 4.185 5 20 IIBD CCOc1ccc([C@H](O)C2CCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)CC2)cc1 812677249 RQOVTSUJGDFXTJ-QHCPKHFHSA-N 435.480 4.128 5 20 IIBD Cc1cc(N2CCN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC2)nc(C(C)C)n1 813387803 AJZVBWKOCJSCHP-UHFFFAOYSA-N 438.315 4.086 5 20 IIBD CC(C)(C)OC(=O)N1Cc2ccc(CNC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])cc2C1 814126850 YRYLEZSHKIZASH-UHFFFAOYSA-N 439.512 4.440 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc(C3CC3)nn2-c2ccccc2)cccc1[N+](=O)[O-] 856695913 UPGNIROTBCXQMP-OAHLLOKOSA-N 434.452 4.150 5 20 IIBD COc1ccc(CSCC(=O)O[C@@H](C)C(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] 914916285 NYMFMHCUEQKIID-LBPRGKRZSA-N 438.889 4.060 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CCN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 915668510 CWSCRGSKAHHSQF-UHFFFAOYSA-N 438.054 4.010 5 20 IIBD COc1cc([C@H](C)NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)ccc1OCCC(C)C 916448071 MASDCNLAWORPTO-INIZCTEOSA-N 440.500 4.255 5 20 IIBD Nc1c(Cl)cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)cc1Cl 918150953 JEGZPWZOPGWFIR-UHFFFAOYSA-N 441.090 4.047 5 20 IIBD C[C@H](OC(=O)[C@H]1CCN(c2ccccc2Br)C1=O)c1cccc([N+](=O)[O-])c1 919421454 AEIRTPKYVBJFBV-WFASDCNBSA-N 433.258 4.015 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 919569386 XKHYVONLWFWLHW-UWVGGRQHSA-N 429.231 4.463 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N2CCC(Nc3ccccc3Cl)CC2)cc1[N+](=O)[O-] 1319134485 NWOPLLMMSLOFNL-UHFFFAOYSA-N 444.340 4.475 5 20 IIBD O=[N+]([O-])c1ccccc1OCc1nnc(-c2cccc(OCc3cn4ccccc4n3)c2)o1 1322151724 RLDAXKLZQAGRBT-UHFFFAOYSA-N 443.419 4.451 5 20 IIBD CCOC(=O)N1[C@H](c2ccc(C)o2)CC[C@@H]1c1nnc(COc2ccccc2[N+](=O)[O-])o1 1326072707 MOIRRDXAACFBRO-GOEBONIOSA-N 442.428 4.493 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1)c1cc(Cl)ccn1 1789721104 XAOGKOIQNUVHLT-UHFFFAOYSA-N 439.859 4.033 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)CCC1)c1cc(F)c[nH]1 1790625026 TVYBLRSGIIQATP-UHFFFAOYSA-N 440.406 4.263 5 20 IIBD C[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc([N+](=O)[O-])o2)n[nH]1)c1cccs1 1814313764 XRPZZEOBCIGRCI-JSGCOSHPSA-N 443.485 4.082 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CC2(CCCN2C(=O)c2cccc3ccccc23)C1 1843623888 GSPHEHOLHSRYCV-UHFFFAOYSA-N 447.466 4.326 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Br)cc1 14395131 KTOOVIDSBUCERZ-CQSZACIVSA-N 441.665 4.045 5 20 IIBD CCc1cccc(OCC(=O)N(CCOC)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 14790459 NXDFXESTFNTLHR-UHFFFAOYSA-N 441.509 4.339 5 20 IIBD COCCN(C(=O)c1cc(OC)cc(OC)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 14790561 WPMSLLWYYBBZQT-UHFFFAOYSA-N 443.481 4.029 5 20 IIBD CCOC(=O)c1sc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc1C 14866183 SBDFUIBPSVAYMO-UHFFFAOYSA-N 449.432 4.286 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(Sc2nnc(C)s2)c([N+](=O)[O-])c1 15165220 OOQAXOCVOPKDIY-UHFFFAOYSA-N 436.540 4.121 5 20 IIBD CCCCn1c(SCc2ccc(C(N)=O)cc2[N+](=O)[O-])nnc1-c1ccc(OC)cc1 16802612 LUDGYPJTJVEMDZ-UHFFFAOYSA-N 441.513 4.053 5 20 IIBD NC(=O)c1ccc(SCC(=O)OCc2ccccc2Oc2ccccc2)c([N+](=O)[O-])c1 23973394 OUQGKSIUYZYYMA-UHFFFAOYSA-N 438.461 4.322 5 20 IIBD C[C@@H](OC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(=O)NCCc1c[nH]c2ccccc12 26342767 DBRDIVFORUSYCY-OAHLLOKOSA-N 437.496 4.278 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)COc2ccccc2C=O)c2ccccc2)c([N+](=O)[O-])c1 28300779 PKFHBENGCSLSID-HSZRJFAPSA-N 448.431 4.018 5 20 IIBD NC(=O)c1ccc(CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C2CC2)cc1 29263976 XXSMGWMWGIOFHH-UHFFFAOYSA-N 444.491 4.111 5 20 IIBD Cc1cc2oc(=O)cc(CN3C(=O)N[C@@](C)(c4cccc([N+](=O)[O-])c4)C3=O)c2cc1C(C)C 31659633 REEIUMZSGVEFAP-DEOSSOPVSA-N 449.463 4.100 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccccc1-n1cc(Br)cn1 58910771 MONJIBPYBVUONC-UHFFFAOYSA-N 433.287 4.274 5 20 IIBD C[C@H](Cc1ccsc1)NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 60631800 QGWDWHUZRRNTSS-CYBMUJFWSA-N 442.463 4.138 5 20 IIBD COc1ccc([C@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)N(C)C)cc1OC 237343727 BNYYRVPEVIVPCY-IBGZPJMESA-N 442.541 4.128 5 20 IIBD COc1cc(CNCCc2cn3ccccc3n2)c([N+](=O)[O-])cc1OCc1ccccc1 237414190 SHWBOUHPHUFJCG-UHFFFAOYSA-N 432.480 4.162 5 20 IIBD CC(=O)c1ccc(N2CCC(C(=O)Nc3ccccc3Br)CC2)c([N+](=O)[O-])c1 301151121 OUXNGIVLXUWWPX-UHFFFAOYSA-N 446.301 4.415 5 20 IIBD O=C(Nc1ccncc1)c1ccc(CNc2ncc([N+](=O)[O-])cc2Br)cc1 301522887 HSEGQGROVFUSTK-UHFFFAOYSA-N 428.246 4.012 5 20 IIBD C[C@@H](Oc1ccccc1Br)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 303455535 MCNCUFFUSBDZSS-SECBINFHSA-N 431.189 4.365 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CCOC[C@H]2c2nc3ccccc3s2)c1Br 409670820 IIJKZLMKNNAJKS-ZDUSSCGKSA-N 435.303 4.248 5 20 IIBD O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCC[C@](O)(C(F)(F)F)C1 426872962 CCIZWMCFOQLESI-GOSISDBHSA-N 426.416 4.275 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCN1Cc1ccccc1 431495811 KVWOJTSAMUWVMZ-KDOFPFPSSA-N 432.318 4.140 5 20 IIBD O=[N+]([O-])c1c[nH]c2ccc(Br)cc2c1=NCCc1nnc(-c2ccccc2)o1 433435949 JNQCKGLGKXHLJR-UHFFFAOYSA-N 440.257 4.032 5 20 IIBD Cc1c(Br)ccc(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1F 433730854 NOYSOZIBYSWXJA-UHFFFAOYSA-N 437.269 4.159 5 20 IIBD Cn1c(COc2ccccc2Cl)nnc1SCc1nc2cc([N+](=O)[O-])ccc2o1 434800398 AJYULJOVDUHLQX-UHFFFAOYSA-N 431.861 4.389 5 20 IIBD Cn1c(SCc2c(F)ccc(Br)c2F)nc2cc([N+](=O)[O-])ccc2c1=O 435481716 LSZXARURMVFSKZ-UHFFFAOYSA-N 442.241 4.175 5 20 IIBD O=C(Nc1ccc(CN2CCCC2=O)cc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436072980 GYMZAMXWWAUFBV-UHFFFAOYSA-N 447.441 4.334 5 20 IIBD O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1O 436962250 DPNSPSZHYZDXRL-INIZCTEOSA-N 438.267 4.241 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)c1 437816069 QLLTWFAFJRUNAF-QVKFZJNVSA-N 430.526 4.372 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)Nc2nc(C(C)(C)C)cs2)cc1[N+](=O)[O-] 438788105 AXTUWVSNZWJCAE-UHFFFAOYSA-N 434.337 4.221 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)[C@@H]1C[C@]12CCCc1ccccc12)c1ccccc1[N+](=O)[O-] 438895083 OWWQKAYYSAUAEG-WATLYSKOSA-N 436.508 4.388 5 20 IIBD Cc1ccc([C@H](C)N(C)S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1 439242334 ACXAGOHWYHLCCY-ZDUSSCGKSA-N 427.320 4.356 5 20 IIBD Cc1ccnc(Oc2ccc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)cc2)n1 440803323 AAJLTGKJCTWPGH-UHFFFAOYSA-N 433.468 4.341 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)c1ccc(-c2ccccc2OC)cc1 442161109 ZEUDYJOBYDXYSQ-HNNXBMFYSA-N 449.463 4.095 5 20 IIBD O=C(NCc1cccc(-n2ccnc2)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444039669 UNCUWSZPNHEBLX-UHFFFAOYSA-N 430.414 4.075 5 20 IIBD C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 444408121 GGAUGQRGNJCFLH-VBKZILBWSA-N 426.860 4.036 5 20 IIBD CCCc1noc2nc(-c3ccco3)cc(-c3nc(-c4c([N+](=O)[O-])nc(C)n4C)no3)c12 445619696 UKPNBOSMLAFDGX-UHFFFAOYSA-N 435.400 4.102 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ncnc3c2c(C)c(C)n3C[C@H]2CCCO2)c1 445958654 DSEBMFTVOPZVCI-CQSZACIVSA-N 441.513 4.110 5 20 IIBD CCS[C@@H](C)c1noc(CN(C)c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])n1 447690431 XLKOJIKQFGMYNC-QMMMGPOBSA-N 441.382 4.477 5 20 IIBD CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCc2cc(Cl)ccc2C1 460777891 NWECQPJXUBRWQH-UHFFFAOYSA-N 441.919 4.496 5 20 IIBD COc1c(CNC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)c(C)nn1C 461009306 QNNMNHWCAQTCPQ-UHFFFAOYSA-N 426.498 4.035 5 20 IIBD O=C(CCc1ncc(-c2ccccc2Cl)o1)N1CCOc2ccc([N+](=O)[O-])cc2C1 461410000 YYIHCQLPJWNUNZ-UHFFFAOYSA-N 427.844 4.257 5 20 IIBD C[C@@H]1Cc2ccccc2CN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCCO1 461847598 YFCFRTWOPGCYJW-VGOFRKELSA-N 433.512 4.374 5 20 IIBD COc1cc(N[C@H](C)c2ccc(Br)cc2OCCCO)c(F)cc1[N+](=O)[O-] 461996158 TVARVAWBASDMQK-LLVKDONJSA-N 443.269 4.439 5 20 IIBD COc1cc(CN2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OCC(F)F 463198637 ARNDZLOUMGLLBU-JFIYKMOQSA-N 428.476 4.153 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCOC[C@H]2c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 464715386 XWYHWDMSWGHIKQ-SBUREZEXSA-N 432.480 4.377 5 20 IIBD Cc1cccc(Oc2ncccc2NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1C 465074662 MWQHJGJBALYPHU-UHFFFAOYSA-N 435.436 4.351 5 20 IIBD CCN1CCN(c2ccc(NC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)c(C)c2)CC1 466446178 NHLKIJMKEPKIOI-UHFFFAOYSA-N 431.924 4.020 5 20 IIBD COC(=O)c1cccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])c1OC(C)C 466644977 YZJARXVUJOIZRB-UHFFFAOYSA-N 443.275 4.245 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccc(Sc2ccncc2)cc1 467854605 WOJZOTAWMQRGHR-UHFFFAOYSA-N 442.884 4.049 5 20 IIBD O=C(N[C@@H](CO)CC(F)(F)F)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 468324813 AAXYOMALHKMPLI-LLVKDONJSA-N 434.823 4.443 5 20 IIBD COc1ccccc1Oc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1 468839536 FTMRWJOWSZKKGJ-UHFFFAOYSA-N 430.438 4.205 5 20 IIBD O=C(CC1CCCCC1)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 475209399 MKOUIWUNBKYISK-UHFFFAOYSA-N 442.438 4.260 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1 475555375 WTYXJYICNWKMSJ-UHFFFAOYSA-N 431.562 4.315 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 476365652 OZOFYONRUJPETL-RDJZCZTQSA-N 426.256 4.032 5 20 IIBD CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)cc1 477708212 QGAHKIHAFAKBRC-HNNXBMFYSA-N 428.489 4.277 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 478425273 HMRQCSIHOZZNKO-SPLOXXLWSA-N 432.860 4.061 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 481966204 GSTONLMUMKOQJK-UHFFFAOYSA-N 442.375 4.081 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCC2(c3ccccc3C)CCOCC2)cc1SC 483433686 COUPKRZBHCZQAR-UHFFFAOYSA-N 430.526 4.112 5 20 IIBD COC(=O)c1cc(NC(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)c(C)c([N+](=O)[O-])c1 485973901 DBJMZXBTQGXBTM-CABCVRRESA-N 433.258 4.195 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NCc2ccnc(Oc3ccccc3F)c2)c([N+](=O)[O-])c1 486508194 MUKBWFPEDYXCEU-UHFFFAOYSA-N 447.426 4.498 5 20 IIBD Cc1nc(CSc2ccc(C(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)cc2)cs1 487013348 RSKDOADMJLDKGB-UHFFFAOYSA-N 443.554 4.326 5 20 IIBD O=C(CCSc1nnc(-c2ccccn2)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 489395281 QGMXDNXYHCYXTR-UHFFFAOYSA-N 446.492 4.358 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2 489982151 NHNOUUNBHLFDRF-SJCJKPOMSA-N 429.498 4.307 5 20 IIBD O=C(Nc1ccc(Oc2ccccc2F)nc1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 490169209 FGLAXBVSVMWBCS-UHFFFAOYSA-N 437.431 4.275 5 20 IIBD O=C(Cc1csc(-c2ccc3c(c2)OCO3)n1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 493103557 GHTMUWVRGAUCOO-UHFFFAOYSA-N 437.477 4.181 5 20 IIBD Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 497513738 SDAZTZZSDHZETA-QEEYODRMSA-N 425.533 4.394 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 498882600 ZGXCTQKURMXLQX-OAHLLOKOSA-N 429.546 4.358 5 20 IIBD COc1ccc(C(=O)N[C@@H](C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc2)cc1 500080760 GLDBBJZCPUHBQL-GAJHUEQPSA-N 447.491 4.260 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3cccc(OCCN(C)C)c3)cc2[N+](=O)[O-])CC1 500317860 QXKTYZKXJUNEPM-UHFFFAOYSA-N 426.517 4.024 5 20 IIBD O=C(CN1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1)N1CCc2cc([N+](=O)[O-])ccc21 502733965 ZRJFYJSQWNATLR-QFIPXVFZSA-N 449.486 4.240 5 20 IIBD O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCCC[C@H]2c2ncc(-c3cccc(F)c3)[nH]2)c1 502768621 CODOXBNFSDRVJB-KNQAVFIVSA-N 440.475 4.091 5 20 IIBD Cc1ccc(C(C)C)c(Oc2ccc(CN3CC[C@H](S(C)(=O)=O)C3)cc2[N+](=O)[O-])c1 503114033 WYNAVPDSIBCKLJ-SFHVURJKSA-N 432.542 4.438 5 20 IIBD O=C(NCc1ccccc1-c1ccc(Cn2cccn2)cc1)c1cc(O)cc([N+](=O)[O-])c1 506185311 AEEILOOFSMACJZ-UHFFFAOYSA-N 428.448 4.142 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCC([C@@H](F)c2ccccc2F)CC1 506580693 WFGCJELWUGJZEA-GOSISDBHSA-N 437.830 4.275 5 20 IIBD COc1ccccc1Oc1ccc(NC(=O)c2cc(C(=O)O)cc([N+](=O)[O-])c2)cc1F 511560218 FCNZTVRRAXVLPY-UHFFFAOYSA-N 426.356 4.485 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 511938372 AUZXSFJTYXFSGV-MAUKXSAKSA-N 436.281 4.236 5 20 IIBD CCOc1cc(CN[C@H](c2ccc([N+](=O)[O-])cc2)c2nccn2C)ccc1OC(F)F 514104942 NNFFMRYNPPRVGJ-LJQANCHMSA-N 432.427 4.208 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCC(c2c[nH]c3ccccc23)CC1 516419609 UWHBXAHOZFPDGM-UHFFFAOYSA-N 426.860 4.074 5 20 IIBD CC(C)(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1csc(-c2cc(F)ccc2F)n1 517205980 VFJTVEDNZHJCSR-UHFFFAOYSA-N 447.463 4.469 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC(Oc2ccc(C(C)C)cc2)CC1 517729533 WZKHOJJMMLJSEU-UHFFFAOYSA-N 425.485 4.035 5 20 IIBD COCCN([C@@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 521155463 ABEFRHYUBWNMCO-ZDUSSCGKSA-N 432.420 4.012 5 20 IIBD O=C(Nc1ncccc1OCc1cccc(Cl)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 530594037 AIUKHJQHJZBZKK-UHFFFAOYSA-N 427.800 4.203 5 20 IIBD COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 533050621 VYPHIPRILBSWHB-QGZVFWFLSA-N 441.267 4.114 5 20 IIBD CCc1ccc(NC(=O)[C@@H](C)[S@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 535512140 XKIGDRJWFQDKCL-ILHIWHGASA-N 427.482 4.088 5 20 IIBD COc1ccc2ccccc2c1-c1cc(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)on1 537557551 NSOUVWSJSWKPOS-UHFFFAOYSA-N 429.388 4.208 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 538129774 NQZUNFQVXNSSOX-KRWDZBQOSA-N 432.480 4.445 5 20 IIBD COc1ccc(CSCC(=O)Nc2cc(C)n(-c3cccc(F)c3)n2)cc1[N+](=O)[O-] 538435925 GFJFXUOVELWCJE-UHFFFAOYSA-N 430.461 4.109 5 20 IIBD CN([C@@H](c1ccncc1)c1ccc(Cl)cc1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 541867133 UQJLXBKTCYYUHW-OAQYLSRUSA-N 445.928 4.237 5 20 IIBD Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F 543479611 BYWLOSAYMICADN-NSHDSACASA-N 430.436 4.276 5 20 IIBD O=C(NC[C@H]1CCN(CC(F)(F)F)C1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 544435935 USCXEWKDXTXRJD-OAHLLOKOSA-N 445.507 4.491 5 20 IIBD Cc1ccc(-c2noc(-c3sc4nc5n(c(=O)c4c3C)CCCCC5)n2)cc1[N+](=O)[O-] 545574349 BRHZTNUQNGCLMB-UHFFFAOYSA-N 437.481 4.426 5 20 IIBD CCCCNC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1 550212684 XQNQQKMRIYFIRD-UHFFFAOYSA-N 448.317 4.126 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 551495813 NJRNLVKRBMSVLA-GFCCVEGCSA-N 446.301 4.052 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2cc(F)c(F)cc2Br)c1 552719447 IPOHXYYZNDYSDN-UHFFFAOYSA-N 429.217 4.029 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1C(=O)Nc2ccc(F)cc21 556805994 HUTDHVYTMZCMDN-HNNXBMFYSA-N 431.489 4.338 5 20 IIBD CC(C)c1ccc2occ(C(=O)N3CCN(C(=O)c4ccc([N+](=O)[O-])s4)CC3)c2c1 557429187 UMWWSCMKOVYDDB-UHFFFAOYSA-N 427.482 4.124 5 20 IIBD CC(=O)N(c1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1)[C@H]1C[C@H]1C 563471574 FPBBMSFNZCGUKV-RNCFNFMXSA-N 438.303 4.432 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N[C@@H]2CCc3sc(Cl)cc32)cc1[N+](=O)[O-] 564513297 KFDZPDBMMJTNJQ-LLVKDONJSA-N 435.918 4.007 5 20 IIBD C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c1 577333290 KEMYEVBOOIDJIX-JKSUJKDBSA-N 442.491 4.289 5 20 IIBD COc1cc(C(=O)NCc2cc(C)nn2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 577422072 QNFGROLVVIKQKB-UHFFFAOYSA-N 430.848 4.021 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(-c4ccccc4I)n3)c2c1 578688264 MRLGDHYMCGSBLC-UHFFFAOYSA-N 446.204 4.322 5 20 IIBD O=C(O)c1cc(N2CCN(Cc3ccc(-c4cccc(F)c4)s3)CC2)ccc1[N+](=O)[O-] 583652158 BCVHZDNRFPKTHO-UHFFFAOYSA-N 441.484 4.483 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N2CC(Cc3cccc(C(F)(F)F)c3)C2)c([N+](=O)[O-])c1 589871240 HKONVCICMMHVTD-UHFFFAOYSA-N 444.413 4.257 5 20 IIBD CCCCN(CC(N)=O)C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 603741816 ATQKHTIINNFTEA-UHFFFAOYSA-N 444.538 4.083 5 20 IIBD C[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])c1cccc(NC(=O)c2ccccc2)c1 603961461 SOMANYNZNNEDJT-KRWDZBQOSA-N 433.464 4.493 5 20 IIBD COc1cc([C@@H](C)NC(=O)NCc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccncc1 604100478 SMNZEMYIKCTJEZ-MRXNPFEDSA-N 436.468 4.138 5 20 IIBD Cc1cccc(NC(=O)Nc2cccc(CNC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc34)c2)c1 604180302 HRUYOLOPSAKWMF-UHFFFAOYSA-N 444.451 4.354 5 20 IIBD CCOc1cc(C(=O)N[C@H](C)COc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])cc1OC 604199611 RVYIYNFKBJTAHI-OAHLLOKOSA-N 430.501 4.497 5 20 IIBD COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2cccc([N+](=O)[O-])c2)cc1 604470610 DDPIEROZHDMZJD-UHFFFAOYSA-N 442.475 4.445 5 20 IIBD O=C(Nc1cccc(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)c1)c1cccc(F)c1 604533074 YSJIOPRCZHJBIW-UHFFFAOYSA-N 437.427 4.047 5 20 IIBD COc1cc(C(=O)NC2(c3ccccc3)CC2)c([N+](=O)[O-])cc1OCc1cscn1 608810492 KHFFTAQDHLKDST-UHFFFAOYSA-N 425.466 4.058 5 20 IIBD NC(=O)c1ccc(SCC(=O)NCC2(c3ccccc3)CCCCCC2)c([N+](=O)[O-])c1 608962503 FXVDCZVMXIYRBZ-UHFFFAOYSA-N 441.553 4.194 5 20 IIBD O=C(CNc1ccccc1[N+](=O)[O-])N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 609309714 JPJQYRJSONNDGE-KRWDZBQOSA-N 428.247 4.053 5 20 IIBD CCCc1[nH]nc(C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)c1[N+](=O)[O-] 609471315 QFXRDJNONPMTDP-UHFFFAOYSA-N 444.495 4.112 5 20 IIBD O=C(Nc1ccc(Oc2ccccc2)cn1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 609505558 MUPLMQUIDOBXAV-MRXNPFEDSA-N 438.465 4.087 5 20 IIBD O=C(Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 609702506 CVMDXWOJXDMCSC-UHFFFAOYSA-N 449.488 4.443 5 20 IIBD Cc1nc([N+](=O)[O-])c(Br)n1CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 726431587 CIPFRBIWIYOMRL-UHFFFAOYSA-N 441.591 4.173 5 20 IIBD COc1ccc(CC(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1[N+](=O)[O-] 727884336 XFSZBMAEMZJWOR-UHFFFAOYSA-N 447.658 4.288 5 20 IIBD C[C@@H](OC(=O)c1ccccc1OCc1cccs1)C(=O)Nc1cccc([N+](=O)[O-])c1 730618283 PQUPLMHWVPUKEM-CQSZACIVSA-N 426.450 4.419 5 20 IIBD Cc1c(C(=O)OCC(=O)Nc2cccc(CSc3ccccn3)c2)cccc1[N+](=O)[O-] 733393516 LUHIEDXUVPFZOD-UHFFFAOYSA-N 437.477 4.386 5 20 IIBD COC(=O)NCc1ccc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 735259771 YHBWKRFBRXGGAG-HNNXBMFYSA-N 449.467 4.271 5 20 IIBD O=C(NCc1ccc(O)nc1)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 736175702 VZEXOYDIESNHCY-UHFFFAOYSA-N 446.507 4.085 5 20 IIBD CSc1nc(C(C)C)nc(C)c1C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 741813581 BTQNXGSIBXXYBV-CYBMUJFWSA-N 432.502 4.031 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1C[C@H](n2cccn2)Cc2ccccc21 744373816 FLDZWOVGAXEQEG-HXUWFJFHSA-N 431.496 4.226 5 20 IIBD COC(=O)c1cccc(-c2nc(COC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)cs2)c1 744826834 ZDGUDKQTHFXKCJ-UHFFFAOYSA-N 437.433 4.343 5 20 IIBD Cc1cc(C(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)c(N)c([N+](=O)[O-])c1 749385000 BGRBJXKROUEQLD-UHFFFAOYSA-N 425.832 4.038 5 20 IIBD O=C(Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1cc(F)ccc1[N+](=O)[O-] 751282256 INPPAWGRUYLGBR-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD O=C(OCc1nnc(-c2cccc(F)c2)o1)c1cc([N+](=O)[O-])c(Br)cc1F 751691228 IIPUJZAYKJRHJK-UHFFFAOYSA-N 440.156 4.043 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1CCN(CC(C)(C)O)C2 753117310 XFSFXAOWKZOYJJ-UHFFFAOYSA-N 429.542 4.088 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@@H]1CCOc2c1ccc(Cl)c2Cl 754064581 KBBCVTRCVFIOAM-GFCCVEGCSA-N 444.658 4.134 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCN(c2cccc(Cl)c2)CC1 754642151 QRCWKISSCQEWDF-UHFFFAOYSA-N 442.672 4.112 5 20 IIBD Cc1c(C(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)cccc1-c1ccccn1 755057156 LVOHIEDRJYOSBK-UHFFFAOYSA-N 432.480 4.434 5 20 IIBD Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2ccc(F)cc2[N+](=O)[O-])cs1 758116309 XNVMBCZDSMMPEB-UHFFFAOYSA-N 429.429 4.037 5 20 IIBD CN(Cc1cccc(C(F)(F)F)c1)C1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 759230636 XKZASVZYGIIUFS-NRFANRHFSA-N 437.462 4.243 5 20 IIBD Cc1c(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cnc(Cl)c1Br 759275855 IXAOPGPWYVIVNB-UHFFFAOYSA-N 443.641 4.194 5 20 IIBD O=C(Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1)c1nc(Cl)ccc1F 759876237 BGOJVNWOUAHJQC-UHFFFAOYSA-N 427.779 4.480 5 20 IIBD O=C(Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1)c1cc(F)c([N+](=O)[O-])cc1F 759924833 VZGSQNCVZQRYSY-UHFFFAOYSA-N 442.300 4.269 5 20 IIBD CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760507641 BVLNTXFETAQKEG-KRWDZBQOSA-N 431.445 4.083 5 20 IIBD C[C@@H]1CC(=O)CC[C@@H]1C(=O)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 760566488 GOAMBZHNTUUWKJ-ASUYLVSUSA-N 444.871 4.477 5 20 IIBD CC(C)NC(=O)Nc1ccc(-c2noc([C@@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)n2)cc1 761732483 HJJZLOJINHLMFH-SFHVURJKSA-N 436.428 4.040 5 20 IIBD Cc1cc(C(=O)NCC(C)C)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C 761895298 UCQYBABPJUSRAC-UHFFFAOYSA-N 439.921 4.052 5 20 IIBD C[C@@]1(c2noc(Cc3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)n2)CCCO1 763333155 MPFJYFYCEZUYLJ-QHCPKHFHSA-N 431.452 4.447 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](O)c1cc2ccccc2s1 764583125 CFDMXQJNRDXIQC-MRXNPFEDSA-N 432.523 4.011 5 20 IIBD C[C@@H](COC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1cccc(Cl)c1 764691370 FHQBRMXRQIAJGF-LBPRGKRZSA-N 432.889 4.488 5 20 IIBD COC(=O)c1ccc(Oc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)cc1[N+](=O)[O-] 765062578 KWIRNUDJUXTWHD-UHFFFAOYSA-N 425.353 4.056 5 20 IIBD Cc1ccc(NS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c(-c2nc(C3CC3)no2)c1 768279373 MBDXPBIGNYDDLZ-UHFFFAOYSA-N 432.433 4.079 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)cc1NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 768285300 NVJWLGMFKZTCBH-UHFFFAOYSA-N 439.465 4.499 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2ccc(N(C)C)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 768412082 LFXQGMBPKFZGAP-CQSZACIVSA-N 440.529 4.059 5 20 IIBD Cc1c(C(=O)NC[C@H](O)c2ccc(-c3ccccc3)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 768557686 OJPTWDMHFWZKTQ-NRFANRHFSA-N 435.436 4.250 5 20 IIBD CC(C)(NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1O)c1ccc([N+](=O)[O-])cc1 769959362 KYMNQEUTKCIJLW-UHFFFAOYSA-N 441.362 4.076 5 20 IIBD O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)c1cnc(OCc2ccccc2)cn1 773463173 ABQPOLCMJQNLDO-UHFFFAOYSA-N 444.241 4.083 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCN(C(=O)OC(C)(C)C)c2ccccc21 774734116 WWLSOWPEHKIVHH-UHFFFAOYSA-N 447.513 4.244 5 20 IIBD O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 776588395 UIDWSZMLPHXVRH-VQIMIIECSA-N 428.876 4.211 5 20 IIBD COCCN(C(=O)[C@H](F)Cc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 777885789 CCAJAWTZSUCOKE-GOSISDBHSA-N 429.473 4.279 5 20 IIBD C[C@@H](OC(=O)c1csc(Cc2cccc(F)c2)n1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 780185544 ZNXOLQMEYVQTQS-LLVKDONJSA-N 447.419 4.104 5 20 IIBD O=C(Nc1ccc(N2CCOC2=O)cc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 780430270 PEXRUEWHBLOGPZ-UHFFFAOYSA-N 435.386 4.168 5 20 IIBD CC(C)n1c(S)nnc1C1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 780631452 UCSWAVYIHCOMGA-UHFFFAOYSA-N 447.564 4.162 5 20 IIBD O=C(OCc1nc(Cc2ccc(F)cc2)no1)c1ccc2[nH]c3ccccc3c(=O)c2c1 781259095 IYLJSTDSSNWVMX-UHFFFAOYSA-N 429.407 4.151 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)C[C@H]21 784218567 FABYPNSPKBFGJQ-NWANDNLSSA-N 427.448 4.326 5 20 IIBD CS(=O)(=O)c1cc(C(=O)Nc2ccc(-c3cccc(F)c3)c(F)c2)cc([N+](=O)[O-])c1 784732664 RFTQXOCGNFVCFG-UHFFFAOYSA-N 432.404 4.196 5 20 IIBD COc1cc(COC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c([N+](=O)[O-])cc1OC(F)F 785948770 CLUVWLFOMLROEV-UHFFFAOYSA-N 446.746 4.052 5 20 IIBD Cc1c(C(=O)N2CCC(COc3ccc(Cl)nc3)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 790094917 YNFDMQCBRDFTRL-UHFFFAOYSA-N 448.863 4.099 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCc1cccc(NC(=O)c2ccccc2)c1 790541856 JIKSPAQKMYXKEE-UHFFFAOYSA-N 441.846 4.499 5 20 IIBD CCOc1cc(NC(=O)CSC(=S)N2CCC(C)CC2)c([N+](=O)[O-])cc1OCC 790631102 ZMXPZEFONZXMLP-UHFFFAOYSA-N 441.575 4.081 5 20 IIBD CC(C)(COc1ccc(C(F)(F)F)cn1)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790960162 BJYGHAQFIRXIPY-UHFFFAOYSA-N 449.788 4.317 5 20 IIBD O=c1oc2cccc([N+](=O)[O-])c2n1CN1CCC[C@H]1c1cc(F)cc(Br)c1 794643892 ULRBPUNVEISICA-AWEZNQCLSA-N 436.237 4.199 5 20 IIBD Cc1ccc(N(Cc2cnc(C)nc2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 795197786 UALVQVHZPIFVME-UHFFFAOYSA-N 446.916 4.359 5 20 IIBD O=C(COC(=O)CCc1cnc2ccccc2c1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 795806164 UTQMOJHCIZJDGP-UHFFFAOYSA-N 447.369 4.276 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccc(Cl)c(CN2CCOCC2)c1 797699619 CPGGKFPKORQVBL-UHFFFAOYSA-N 442.274 4.054 5 20 IIBD CN(C(=O)COC(=O)COc1ccc2oc3ccccc3c2c1)c1ccc([N+](=O)[O-])cc1 800763415 WIUFBCGUOQECJH-UHFFFAOYSA-N 434.404 4.079 5 20 IIBD Cc1cn(-c2ccc(F)cc2)nc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 801452063 XLSLUKHBXKUPAN-GFCCVEGCSA-N 446.822 4.065 5 20 IIBD CCOC(=O)c1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c(F)cc1C 803558082 ZPTQXJAXZUNPFB-UHFFFAOYSA-N 443.200 4.373 5 20 IIBD O=[N+]([O-])c1cc(F)c(N(CCn2ccnc2)Cc2ccc(Br)o2)c(F)c1 804780358 UNNPHKRNXLUWQJ-UHFFFAOYSA-N 427.205 4.132 5 20 IIBD O=C(CN[C@@H](c1ccccc1)[C@H](O)c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 808787162 BKELRZBCNSDTCE-FCHUYYIVSA-N 425.872 4.251 5 20 IIBD O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CC[C@@H](CSc3ccccc3)C2)cc1Cl 809820715 GKEZUKNOLVMPFE-GFCCVEGCSA-N 430.910 4.190 5 20 IIBD CCC[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1Cl)C(=O)N1CCc2sccc2C1 809918242 WHUJNMHXOQTTFW-AWEZNQCLSA-N 436.921 4.185 5 20 IIBD COc1ccc2c(c1)C[C@H](C(=O)OCc1csc(-c3cccc([N+](=O)[O-])c3)n1)CO2 811217717 YCZJCMQHXVWCGN-HNNXBMFYSA-N 426.450 4.021 5 20 IIBD CC[C@H](C)c1ccc(N2C(=S)N[C@H](c3ccc([N+](=O)[O-])o3)C(C(=O)N(C)C)=C2C)cc1 812734621 OUHAEGFQPOAWQW-RNODOKPDSA-N 442.541 4.499 5 20 IIBD CC(C)(C)OC(=O)N1[C@H](c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)C[C@H]2C[C@H]21 813890647 QLUSYDPUNZLWNX-LQAWEQHXSA-N 425.445 4.120 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H]2CN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@@H]21 814176668 SFXBWUBZSKGLEW-BBRMVZONSA-N 427.448 4.028 5 20 IIBD Cc1cc(Cl)c(C(=O)O[C@@H](C(=O)N[C@H]2CCOc3ccccc32)C(C)C)cc1[N+](=O)[O-] 815405902 NJVHWUUSJYDCST-FXAWDEMLSA-N 446.887 4.378 5 20 IIBD O=C(CSc1nnc(-c2ccc(OC(F)F)cc2)o1)Nc1ccc(F)c([N+](=O)[O-])c1 849205488 GQDADLNKBQXWPJ-UHFFFAOYSA-N 440.359 4.116 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)c1ccc2ccccc2c1 854157892 MSEMLLDOFPBPOE-JKSUJKDBSA-N 435.480 4.237 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cc(Cl)ccc1Br 913343931 BJHQZOQTYOUGFG-UHFFFAOYSA-N 428.622 4.234 5 20 IIBD C[C@@H](OC(=O)COc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1Oc1ccccc1 914912075 YWHMTLUYYSEHFX-MRXNPFEDSA-N 436.420 4.336 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)/C=C/c2ccccc2OC(F)(F)F)cccc1[N+](=O)[O-] 914942425 SWJOMPPNKPKQJY-NHAQELONSA-N 438.358 4.385 5 20 IIBD Cc1c(C(=O)NCc2cccc(COCc3ccco3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 915087653 CWVQWEZCHVERNC-UHFFFAOYSA-N 425.397 4.051 5 20 IIBD CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 915469830 XIXMLRVXUGXKNR-HZPDHXFCSA-N 436.468 4.478 5 20 IIBD Nc1ccc(C(=O)N2CCCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] 917128524 DYJLPXOQOSXGNM-INIZCTEOSA-N 437.283 4.117 5 20 IIBD Cc1cccn2cc(-c3ccc(NC(=O)Cn4ncc5ccc([N+](=O)[O-])cc54)cc3)nc12 917257305 ROIMQHWSZQJQFA-UHFFFAOYSA-N 426.436 4.206 5 20 IIBD COc1cc(Br)c(COC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1OC 917331508 QCPIINLDTNWWHH-UHFFFAOYSA-N 435.230 4.213 5 20 IIBD O=C(OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(SC(F)F)cc1 920147724 JDSNQXYCHZDUQD-UHFFFAOYSA-N 430.816 4.150 5 20 IIBD C[C@H](OC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(OC(F)F)cc1 920514832 VNTSXEUIFWGOCU-LBPRGKRZSA-N 436.367 4.189 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC(=O)N(Cc1ccccc1)C(C)(C)C 920777564 KXCYPTIVNSYQMW-OAHLLOKOSA-N 448.903 4.386 5 20 IIBD COc1ccc(-c2cc(COC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])on2)cc1 920777621 LMCUJGLIXOOHFN-LBPRGKRZSA-N 432.816 4.423 5 20 IIBD COc1cc(C(=O)N2CCC[C@](C)(CO)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 1116367079 OYFFLVSWUFMFNF-NRFANRHFSA-N 434.876 4.284 5 20 IIBD O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)N1Cc2ccc([N+](=O)[O-])cc2C1 1318759091 GLHKBNCOUXLHOH-UHFFFAOYSA-N 425.514 4.462 5 20 IIBD O=C(NCc1cccc(Cn2cnc3ccccc32)c1)N1Cc2ccc([N+](=O)[O-])cc2C1 1318888120 MPPNEDJXZYIPHB-UHFFFAOYSA-N 427.464 4.218 5 20 IIBD Cc1c([C@@H](C)N[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)cnn1C 1342349946 WGFDDXZUZOJZKI-XCLFUZPHSA-N 427.892 4.321 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])o4)CCC3)cc2)c(C)n1C 1789973595 WJYFNCKOUDUHLS-UHFFFAOYSA-N 436.468 4.205 5 20 IIBD O=C(CC1CCCC1)N1CCCC2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)C1 1808938311 FHZLLUYPSYVNMM-UHFFFAOYSA-N 431.508 4.159 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCCCN2C(=O)c2cccs2)CC1 1825773078 LXPDNAHONDLUFB-FQEVSTJZSA-N 441.553 4.132 5 20 IIBD CC(C)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1831381618 GMEXGEXWEZZJSB-NRFANRHFSA-N 433.524 4.403 5 20 IIBD O=C(CCC1CCCC1)N1CCCC12CN(C(=O)C1(c3cccc([N+](=O)[O-])c3)CCC1)C2 1842599033 CIGYXUQKEJVMGJ-UHFFFAOYSA-N 439.556 4.190 5 20 IIBD COc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 10733800 GBUYMQRNLDLGFE-ZDUSSCGKSA-N 447.875 4.041 5 20 IIBD O=C(Nc1ccccc1NC(=O)N1CCCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 60868591 AMDOOJJWSPWGCP-UHFFFAOYSA-N 437.500 4.078 5 20 IIBD CNC(=O)C1CCC(NC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 63260878 BJHNYOPBURAERZ-UHFFFAOYSA-N 427.526 4.089 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N(C)CCN(C)C2CCCCC2)cc1[N+](=O)[O-])c1ccccn1 63771074 LMORBEUAFWYQND-GOSISDBHSA-N 439.560 4.499 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 64807135 JSJAFXOUEDLPKQ-JTQLQIEISA-N 438.267 4.200 5 20 IIBD O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 71880007 YKFBPBKKJTULDZ-OAHLLOKOSA-N 426.231 4.284 5 20 IIBD CCCn1c2ccccc2c2nnc(S[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])nc21 105815713 FEFGOUIGFPWXEB-CYBMUJFWSA-N 436.497 4.417 5 20 IIBD CCOC(=O)c1ccccc1N(CC)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 261427502 NLDHMEPKRVNTTC-UHFFFAOYSA-N 428.488 4.385 5 20 IIBD CC(C)Cc1ccc([C@H](NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C(C)C)cc1 302635353 HHIOHTYWGYDNOB-OAQYLSRUSA-N 432.542 4.324 5 20 IIBD Cc1ccc([C@@H](NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C2CC2)cc1 430314190 XMZKSTRMCGAZGA-GOSISDBHSA-N 446.301 4.180 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 432578595 HIYGLSMZTRQHTE-UHFFFAOYSA-N 448.479 4.062 5 20 IIBD O=C1NC2(CCCCC2)C(=O)N1Cc1ccccc1CNc1ncc(Cl)cc1[N+](=O)[O-] 434959517 VIYLWODPSFXOOK-UHFFFAOYSA-N 443.891 4.010 5 20 IIBD CC1CCN(c2ccc(C(=O)NC[C@H](c3ccccc3)C(C)(C)CO)cc2[N+](=O)[O-])CC1 438174006 LMHYVIUFLOSADW-OAQYLSRUSA-N 439.556 4.363 5 20 IIBD Cc1cc(NC(=O)NCc2noc(-c3cccc(Br)c3)n2)ccc1[N+](=O)[O-] 439025706 SQOROBUAVCNXFL-UHFFFAOYSA-N 432.234 4.037 5 20 IIBD CCc1[nH]nc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])c1Br 443304297 AQQIAGXCRHXSFC-UHFFFAOYSA-N 447.314 5.046 5 20 IIBD CCc1ccc([C@H](NC(=O)c2ccccc2[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 443930238 VDNLAZPNYLFYOK-QFIPXVFZSA-N 438.505 4.080 5 20 IIBD C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 444081246 COMQEXUNKZHZQK-IBGZPJMESA-N 425.532 4.418 5 20 IIBD COc1cc(C)c([C@@H](C)NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1OC 444850881 AHGKGZBHUANSQR-SECBINFHSA-N 429.292 4.235 5 20 IIBD O=C(NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 444920102 KSJOBJOSZQCWRO-OTYXRUKQSA-N 429.317 4.219 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(Cc3cn4cc(Cl)cc(Cl)c4n3)n2)c1 445577706 VRTWQWAGFDXOAT-UHFFFAOYSA-N 434.239 4.123 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CC[C@@](C)(c2ccccc2)C1 446558098 SABJNUMXUHACFB-NFBKMPQASA-N 443.931 4.193 5 20 IIBD C[C@H](O)CCCNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 447621780 XKEOTAFEZYENMT-SUCHYCSPSA-N 425.510 4.412 5 20 IIBD O=C(Cc1csc(-c2ccccc2Cl)n1)N1CCOc2ccc([N+](=O)[O-])cc2C1 461382852 COTYQCXEGQTFGO-UHFFFAOYSA-N 429.885 4.335 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@H]2C[C@H](c3ccc(Br)cc3)C2)s1 461867512 XBZRQLOWXQOCNE-UMSPYCQHSA-N 431.333 4.180 5 20 IIBD CCC[C@H](C)NC(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 462483705 GGMRCTLDQKJJNU-HKUYNNGSSA-N 426.517 4.090 5 20 IIBD CN(CC(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1ccccc1[N+](=O)[O-] 463887953 QMXQRCDIGHJQKD-MRXNPFEDSA-N 440.500 4.487 5 20 IIBD Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)cnc1N1CCCC[C@@H]1C 464423082 BJCMGUDPFOOASO-HNNXBMFYSA-N 441.513 4.026 5 20 IIBD CCOc1cccc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1OC(F)F 465021652 AYVSITXXFZVLSP-NSHDSACASA-N 444.818 4.332 5 20 IIBD Cc1ccc(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c(OC[C@@H]2CCCO2)c1 466632927 KMCYZCLNNSHHDP-APWZRJJASA-N 430.526 4.258 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc3c(c2)C(=O)N(C)CC3)cc1 472437956 FOHAJFITNFECJO-UHFFFAOYSA-N 447.447 4.276 5 20 IIBD COc1c(C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)cccc1[N+](=O)[O-] 474577673 ODQOZJMIGNHDDP-UHFFFAOYSA-N 441.875 4.494 5 20 IIBD Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1F 477444497 DTFGMIKPDZFRDV-GASCZTMLSA-N 427.476 4.342 5 20 IIBD O=C(Nc1ccc(Cl)cc1Br)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 478730357 AYVQXHRMYUXRNY-UHFFFAOYSA-N 439.697 4.365 5 20 IIBD CCOc1cc(OCC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)ccc1[N+](=O)[O-] 478733956 SJVWYAPECCBUNP-LBPRGKRZSA-N 428.363 4.148 5 20 IIBD C[C@H](c1ccc(OC(F)F)cc1)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 481172554 IRZTVYMLXIJJGC-CQSZACIVSA-N 431.443 4.346 5 20 IIBD C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCCn2ccc([N+](=O)[O-])n2)nnc1-c1ccco1 481251494 AAKAAQLPAIFFLC-VGWMRTNUSA-N 428.518 4.432 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1 481951364 QOAJQKUVYCEUKK-LJAQVGFWSA-N 444.534 4.320 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N(C)C[C@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] 484438139 MIEIWUIYDLGCOK-OXQOHEQNSA-N 442.537 4.171 5 20 IIBD CCCC1CCC(N(C)C(=O)C(=O)Nc2cc(OCC)c(OCC)cc2[N+](=O)[O-])CC1 484816483 RBZLJDLPYUXLQE-UHFFFAOYSA-N 435.521 4.148 5 20 IIBD CC(C)NS(=O)(=O)Cc1ccc(CNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)cc1 484958242 INPFXDIQRNDRJM-UHFFFAOYSA-N 435.546 4.212 5 20 IIBD O=[N+]([O-])c1cnc(N2CCO[C@H](c3cccc(Br)c3)C2)c(Br)c1 485198984 YJMRMGVUYGUMBB-AWEZNQCLSA-N 443.095 4.093 5 20 IIBD COc1ccccc1[C@H](CNC(=O)c1cccc(SC)c1[N+](=O)[O-])N1CCCCC1 486465989 GSAMNGQQFBDASA-SFHVURJKSA-N 429.542 4.282 5 20 IIBD O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 487572382 HDUBCXGZYYQAAZ-LJQANCHMSA-N 434.427 4.013 5 20 IIBD CN1C(=O)COc2ccc(NC(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)cc21 487949734 NMXPXXXAGCLFBF-UHFFFAOYSA-N 435.461 4.354 5 20 IIBD O=C(Nc1cccc(CSc2ccccn2)c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 488297692 PTQQONQZNMAQLC-UHFFFAOYSA-N 438.513 4.348 5 20 IIBD O=C(CN(Cc1cccnc1)Cc1c(F)cccc1[N+](=O)[O-])Nc1ccc(Cl)cc1 488710260 SXBSOOSYKHRIHI-UHFFFAOYSA-N 428.851 4.423 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cc(Br)c(F)cc1F 488934315 CZJGLVGFUBVQJO-UHFFFAOYSA-N 449.273 4.235 5 20 IIBD O=C(NC[C@H]1SCCc2ccccc21)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 489953459 LOSYENCTXXRSKN-OAQYLSRUSA-N 427.526 4.178 5 20 IIBD COc1cccc(OC(F)(F)F)c1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] 491154891 IOIXKLRMNBYGDQ-UHFFFAOYSA-N 427.379 4.237 5 20 IIBD O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 494147159 YSLBMMQJYBUZAQ-UHFFFAOYSA-N 436.443 4.140 5 20 IIBD CCCCOc1ccc([C@H](C)NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1OC 494655021 PDPRUUMCBVDKLL-INIZCTEOSA-N 445.520 4.087 5 20 IIBD O=C(CCN1CCCCC1)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1 498295513 WVAVVRBVFNCYND-UHFFFAOYSA-N 447.495 4.210 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCOC[C@H]1c1nc2ccccc2s1 500695065 IFBXVLNHTHRXQQ-WBMJQRKESA-N 447.900 4.225 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1C 504570652 MPDTWNVHOFXEBK-UHFFFAOYSA-N 443.525 4.130 5 20 IIBD CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 505413152 FLUPEHIPGKEPCT-MRXNPFEDSA-N 438.347 4.328 5 20 IIBD CNC(=O)c1ccc(CN(C)Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 506149196 WLTBWIVPUWQLRY-UHFFFAOYSA-N 449.507 4.174 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCCCO[C@@H]3CCCCO3)cc2[N+](=O)[O-])n1 506776723 NNLNJYJCCBYHCC-QGZVFWFLSA-N 437.543 4.174 5 20 IIBD Cc1c(C(=O)Nc2cc(Br)ccc2Sc2nncn2C)cccc1[N+](=O)[O-] 507921943 UKUNCNMCLRZPER-UHFFFAOYSA-N 448.302 4.198 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)NC1(c2noc(C3CCCCC3)n2)CCCCCC1 510393259 GOSPFIMMZVIQDH-UHFFFAOYSA-N 444.536 4.286 5 20 IIBD CC[C@@H](C)NC(=O)c1cccc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c1 510826534 SAODVVVJDAQKKM-GFCCVEGCSA-N 436.415 4.046 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 511939026 CGZJBIJIHOPXNV-UHFFFAOYSA-N 434.848 4.449 5 20 IIBD CC(C)N(Cc1cccc(Br)c1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 512021415 CMPCVGBXRALJTD-UHFFFAOYSA-N 427.320 4.098 5 20 IIBD COc1cc(CSCc2ncnn2-c2ccccc2)c([N+](=O)[O-])cc1OCC(F)F 512392367 ULYGCOJOYSFGBQ-UHFFFAOYSA-N 436.440 4.261 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)ccc1[N+](=O)[O-] 513019669 GKKWORQCJQASJU-KHUIQGCPSA-N 447.535 4.445 5 20 IIBD O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 513579403 HUBUOGABLSUIIG-UHFFFAOYSA-N 447.413 4.322 5 20 IIBD CN(Cc1c(Cl)cccc1Cl)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 514396137 ADICVFUWYAYCQA-UHFFFAOYSA-N 438.267 4.248 5 20 IIBD C[C@@H](NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1cccc([N+](=O)[O-])c1 515446854 HPGUJPWOADLDOF-CQSZACIVSA-N 449.429 4.343 5 20 IIBD C[C@@H](NC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1)c1cccc([N+](=O)[O-])c1 518478325 YDTUPSUNFXEZPB-HUUCEWRRSA-N 447.333 4.244 5 20 IIBD COc1ccc2c(C)cc3nnc(S[C@@H]4CCN(c5cccc([N+](=O)[O-])c5)C4=O)n3c2c1 520224881 DZYOBUPBUPCSCP-LJQANCHMSA-N 449.492 4.005 5 20 IIBD COc1cc(OCC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)ccc1[N+](=O)[O-] 520544285 XGQDBUIHVKHZQB-UHFFFAOYSA-N 436.468 4.464 5 20 IIBD O=C(CN(Cc1ccccc1F)C(=O)c1cc(F)cc([N+](=O)[O-])c1)Nc1ccccc1F 520978041 GFLBMPHRJXDNEL-UHFFFAOYSA-N 443.381 4.293 5 20 IIBD O=c1c2cc(Br)c(F)cc2ncn1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F 521275657 JHDGKVCQNWFWJG-UHFFFAOYSA-N 446.154 4.273 5 20 IIBD COc1ccc(C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1[N+](=O)[O-] 521794884 YUUPBJLGYOKGMX-UHFFFAOYSA-N 438.311 4.305 5 20 IIBD O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 522861218 ZDSKVYIUYKVSPQ-ZDUSSCGKSA-N 448.323 4.354 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NCCc1cnccn1 527183875 BADIHHHSZWGHHP-LGMDPLHJSA-N 445.504 4.284 5 20 IIBD Cc1sc(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1-c1ccc(F)cc1 530792675 DVQSIDHEYGTWLK-UHFFFAOYSA-N 426.473 4.128 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCC(=O)N(C)Cc1ccccc1Br 532507187 AAACTKOZTUMBIU-HNNXBMFYSA-N 434.334 4.365 5 20 IIBD O=C(NCc1cc(Br)ccc1OC(F)F)c1c[nH]c2cccc([N+](=O)[O-])c12 534957785 LLLOEHIMAYVYQR-UHFFFAOYSA-N 440.200 4.370 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@](C)(c2ccccc2)C1 534986480 LIDMRMZTFSUMEM-HSZRJFAPSA-N 442.537 4.444 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C[S@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 535510953 NCAHMRLRYCTSHT-WJOKGBTCSA-N 441.509 4.435 5 20 IIBD O=C(NC[C@@H]1CCCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Nc1ccccc1 535555703 BWAQIWVPIPUMTK-NRFANRHFSA-N 435.484 4.426 5 20 IIBD CC(C)Oc1ccccc1NC(=O)c1cc(I)cc([N+](=O)[O-])c1 536554897 OKCPMPCHFQJVRS-UHFFFAOYSA-N 426.210 4.239 5 20 IIBD Cc1nn(C)c(C)c1CC(=O)N(CC(C)C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 537149918 RPANSPUGLFEIJL-UHFFFAOYSA-N 427.530 4.300 5 20 IIBD CCNc1ccc(C(=O)Nc2c(F)cc(C)cc2I)cc1[N+](=O)[O-] 537804839 SMRCNHHLTKUBAP-UHFFFAOYSA-N 443.216 4.331 5 20 IIBD COc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc(OC)c1Br 538310357 MINCCGBXEOUBNV-UHFFFAOYSA-N 429.654 4.209 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCOc1ncccc1C(F)(F)F 539326504 OGVOKRYZYDTWEN-UHFFFAOYSA-N 429.420 4.318 5 20 IIBD CN(C(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 539351500 YCBARIMDMORRAZ-INIZCTEOSA-N 448.570 4.019 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cccc(C[S@](=O)C2CCOCC2)c1 539845210 DLUSBUTVPIFFKI-PMERELPUSA-N 430.526 4.200 5 20 IIBD CN(CCC1CCN(c2ccncc2)CC1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] 539975034 ZOUMABLIUAVNEV-UHFFFAOYSA-N 447.333 4.131 5 20 IIBD C[C@]1(c2ccc(Br)s2)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2Cl)C1=O 541075483 BZPSXOAAXPSLOK-OAHLLOKOSA-N 444.694 4.039 5 20 IIBD COc1ccc(NC(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] 541102395 DLBVPTSZPCJNTA-ORAYPTAESA-N 436.871 4.210 5 20 IIBD CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 541421577 VOLAWBFAQJKUIS-SFHVURJKSA-N 448.976 4.248 5 20 IIBD CC(C)C(=O)N1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 542595409 KKBVRXILRIHEDQ-UHFFFAOYSA-N 433.574 4.208 5 20 IIBD C[C@@H](C(=O)N1CCCN(C(=O)Nc2cccc(Cl)c2)CC1)c1ccc([N+](=O)[O-])cc1F 542620509 TYNRICLPJDMPIK-CQSZACIVSA-N 448.882 4.257 5 20 IIBD CCN(CC)C(=O)Cc1ccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1 543150499 VRWHEAKTUXAAMJ-UHFFFAOYSA-N 435.933 4.390 5 20 IIBD CC(C)[C@H](Cc1ccc(F)cc1)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br 543478994 MOSLTXDRWYSCOB-SFHVURJKSA-N 438.297 4.292 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccccc2Oc2ccccc2)cc1[N+](=O)[O-] 543961283 HPFGOOSXQLQQFQ-HNNXBMFYSA-N 435.436 4.212 5 20 IIBD Cc1ccccc1C(NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1ccccc1C 544824273 PXACMSVVMFGAFQ-UHFFFAOYSA-N 438.505 4.135 5 20 IIBD CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)cc21 545122260 DQVNQFHTGGTZQD-UHFFFAOYSA-N 443.475 4.422 5 20 IIBD COc1cc(-c2nc(Cc3ccc(Br)c(F)c3)no2)cc([N+](=O)[O-])c1OC 545852559 CXKDGHSDUDAHNN-UHFFFAOYSA-N 438.209 4.154 5 20 IIBD CC1CCN(c2ccc(-c3nc([C@@H]4CC(=O)N(c5ccccc5)C4)no3)cc2[N+](=O)[O-])CC1 546432665 NULJLFVNLPPSKY-GOSISDBHSA-N 447.495 4.402 5 20 IIBD Cc1nc([N+](=O)[O-])cn1Cc1nc(-c2ccc(Oc3ccccc3C(F)(F)F)nc2)no1 546449262 IWTDICLKUXCFQQ-UHFFFAOYSA-N 446.345 4.404 5 20 IIBD O=C1CCCC(=O)N1Cc1ccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 546973376 SFIFCZHMFIGPRT-UHFFFAOYSA-N 436.493 4.370 5 20 IIBD COc1ccc(Cc2nc([C@H](OC)c3ccc(Br)cc3)no2)cc1[N+](=O)[O-] 547221192 GKJDKCIUWGWJIW-QGZVFWFLSA-N 434.246 4.076 5 20 IIBD Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 548644065 DEUGNVVBVKDBHJ-UHFFFAOYSA-N 441.284 4.068 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC1(c2ccc(Cl)cc2)CCOCC1 557824889 ANPXITHXVTWQDW-UHFFFAOYSA-N 431.920 4.181 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 558727858 UGQVXIZBFIRGLU-GOSISDBHSA-N 441.553 4.060 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H](OC)c2ccc(Br)cc2)c1 558801634 DLJNROYKPOOTRQ-SGTLLEGYSA-N 437.290 4.262 5 20 IIBD O=C(Nc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1)c1ccco1 558916761 VQZAUWYCGMFQTK-UHFFFAOYSA-N 433.342 4.389 5 20 IIBD C[C@@H](NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1nc2ccccc2n1C(F)F 567205836 DZYFWAGRIZPZPQ-GFCCVEGCSA-N 431.399 4.005 5 20 IIBD Cc1c(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)nnn1-c1cccc([N+](=O)[O-])c1 573983881 HODHUXJWWYBBRW-LJQANCHMSA-N 445.401 4.384 5 20 IIBD O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2cc1Br 580357082 WDJXFERPCFXOJL-UHFFFAOYSA-N 438.241 4.344 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(CC1CC1)c1cccc(C(F)(F)F)c1 589625552 DXEODYBYTXTZDI-CYBMUJFWSA-N 435.402 4.175 5 20 IIBD Cc1c(C(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)nnn1-c1cccc([N+](=O)[O-])c1 591714214 MTCYQVTYSKYDMM-FQEVSTJZSA-N 437.456 4.204 5 20 IIBD Cc1nc2ccc(NC(=O)N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)cc2o1 603654564 CNFTZJRYDUVJJQ-UHFFFAOYSA-N 449.389 4.417 5 20 IIBD O=C(NCc1ccc(COc2ccccc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 603721100 RCAVARCVJAFXMJ-UHFFFAOYSA-N 439.855 4.082 5 20 IIBD COc1cc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)ccc1OC(F)F 603829696 PSXKDSLTBKOZNO-UHFFFAOYSA-N 433.314 4.128 5 20 IIBD CC(=O)Nc1cccc2c1CCN(C(=O)c1ccc(NCc3ccccc3)c([N+](=O)[O-])c1)C2 604192749 YRVBXERBZAQJCT-UHFFFAOYSA-N 444.491 4.364 5 20 IIBD O=C(Nc1ncc(Cc2cc(F)cc(F)c2)s1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 604470041 FFSKNAYPZOXNGA-UHFFFAOYSA-N 441.419 4.358 5 20 IIBD CCN(Cc1ccoc1)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 608808197 HVGDHNZHIKPVMS-UHFFFAOYSA-N 425.407 4.472 5 20 IIBD Cc1ncc2c(n1)CC[C@H](NCc1cn(-c3ccccc3)nc1-c1ccc([N+](=O)[O-])cc1)C2 608836348 NBOOZYXLCKKLFT-NRFANRHFSA-N 440.507 4.193 5 20 IIBD Cc1ccc(NC(=O)c2ccc(Oc3cccc(S(C)(=O)=O)c3)c([N+](=O)[O-])c2)cc1 608972701 KSLHQPOLTNVQMN-UHFFFAOYSA-N 426.450 4.351 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 609709097 USQDUEXXMLHZHR-HNNXBMFYSA-N 433.338 4.380 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cnn(-c3ccccn3)c2)cc1 610055145 HHKYHNBDZVSMAZ-UHFFFAOYSA-N 431.408 4.229 5 20 IIBD Cc1ccc(NCCCNC(=O)Nc2ccc(F)cc2Br)c([N+](=O)[O-])c1 610093725 UAUNZKXDZVDBOW-UHFFFAOYSA-N 425.258 4.429 5 20 IIBD CCOC(=O)c1csc(N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccc(OC)cc2)n1 610110101 BFJNSVCJIOSNAG-UHFFFAOYSA-N 427.438 4.215 5 20 IIBD O=[N+]([O-])c1cnn(CCSc2nnc(Cc3cccs3)n2CCc2ccccc2)c1 610207619 DFYTVTWRNXNJOA-UHFFFAOYSA-N 440.554 4.070 5 20 IIBD CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 617402864 BONQNSKHSJTMJQ-OAQYLSRUSA-N 440.496 4.193 5 20 IIBD COc1ccc(-n2c(Sc3c([N+](=O)[O-])ncn3C)nnc2-c2ccccc2)cc1Cl 619674792 HEZATPKBMMRFGO-UHFFFAOYSA-N 442.888 4.389 5 20 IIBD COc1ccc(NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cc1 727283489 OLUXMYCEFXYCKR-UHFFFAOYSA-N 440.447 4.141 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NCC1(c2cccc(Cl)c2)CCCC1 731616756 QXQJTEUZUGECSI-UHFFFAOYSA-N 446.887 4.076 5 20 IIBD COC(=O)[C@](C)(NCc1cc([N+](=O)[O-])ccc1Cl)c1cccc(Br)c1 735492913 KRICNSXVZHMQDV-QGZVFWFLSA-N 427.682 4.189 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc(OCc2ccccc2)ccc1O 738730375 XBKDYQNWMMGJTH-UHFFFAOYSA-N 447.403 4.286 5 20 IIBD CCNC(=O)c1cc(Cl)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1Br 739567080 VZKNREVNUXKWSO-UHFFFAOYSA-N 426.654 4.013 5 20 IIBD COc1ccc2c(C)c(CCC(=O)NCCCCc3ccc([N+](=O)[O-])cc3)c(=O)oc2c1 739588742 FDKJWAAUSRGQQU-UHFFFAOYSA-N 438.480 4.090 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 746265157 QQLYDIRHLPRKJX-HKUYNNGSSA-N 436.867 4.271 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 749272806 YBHLUHBOXFIWIB-LLVKDONJSA-N 434.371 4.015 5 20 IIBD CC(C)(C)n1nc(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cc1C1CC1 750582333 BNFVEHPRIAQMNB-UHFFFAOYSA-N 447.333 4.385 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N[C@H](C)c2ccccc2Cl)cc1[N+](=O)[O-] 753851845 UNRIPKIFVRTZKE-SNVBAGLBSA-N 440.681 4.135 5 20 IIBD O=[N+]([O-])c1ccc(-c2ncn(CN3CCC[C@@H]3c3ccccc3Br)n2)cc1 755923285 IRDNWLNFPMLVOJ-GOSISDBHSA-N 428.290 4.410 5 20 IIBD Cc1ccc(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(Br)n1 756427721 OUPPXYPOSNVNBB-JTQLQIEISA-N 433.218 4.029 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1cnc(Br)c(Br)c1 757827335 YCLYCIRKBATKMR-UTCJRWHESA-N 427.052 4.167 5 20 IIBD O=C(NCCCCC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)OCc1ccccc1 760565027 YAAVKKYGTLJXCX-NRFANRHFSA-N 443.525 4.266 5 20 IIBD CCc1ccc(-c2noc([C@H](C)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)n2)cc1 761039624 QVACULNTFWVDOW-HNNXBMFYSA-N 435.484 4.298 5 20 IIBD Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3cc([N+](=O)[O-])c4nsnc4c3)o2)cc1C 762969708 ZDCAHIVUYUZLOE-LLVKDONJSA-N 425.426 4.184 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@]2(CCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)C1 765028557 WKVYTCJMEROLSC-JOCHJYFZSA-N 428.489 4.083 5 20 IIBD CCOc1cc(/C=C/C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1O 768617146 DHHWXRSOSRUGHY-HQIZRNBFSA-N 425.397 4.067 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc(Cl)nc2C(F)(F)F)cccc1[N+](=O)[O-] 769198494 XIEZARVCBVVFSI-SECBINFHSA-N 431.754 4.154 5 20 IIBD CCNc1ncc(C(=O)O[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)s1 770091985 BUCZWTCRWHMWON-GOSISDBHSA-N 440.481 4.328 5 20 IIBD C[C@H](OC(=O)c1ccc(C(=O)OC(C)(C)C)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 771124257 FLSPILJVDQHJJJ-LBPRGKRZSA-N 448.859 4.388 5 20 IIBD Cn1cnc([N+](=O)[O-])c1-c1noc(-c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1 771390435 LNTCOIMTGGWAQC-UHFFFAOYSA-N 442.775 4.399 5 20 IIBD CC(C)(C)OC(=O)N[C@H](CC(=O)OCc1ccc([N+](=O)[O-])cc1Br)C1CC1 772296214 OISOPOBOBCZLDW-OAHLLOKOSA-N 443.294 4.094 5 20 IIBD Cc1cc(F)cc(C(=O)NCc2ccc(Cl)cc2I)c1[N+](=O)[O-] 772750464 GINSWHVBDBMWKB-UHFFFAOYSA-N 448.619 4.230 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cccc(S(=O)(=O)Cc3ccccc3)c1)CC2 773998374 XRSWGFRAPVWMAP-UHFFFAOYSA-N 436.489 4.080 5 20 IIBD Cc1cccc2sc(C(=O)NS(=O)(=O)c3cccc(F)c3[N+](=O)[O-])c(Cl)c12 781837467 MNXMVXIWNORIBJ-UHFFFAOYSA-N 428.850 4.029 5 20 IIBD COc1cc(N2CCC(OC(=O)C3(Cc4ccc(F)cc4)CC3)CC2)ccc1[N+](=O)[O-] 783098711 HNEKRZNQBVIDGR-UHFFFAOYSA-N 428.460 4.277 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(Br)cnc2Cl)cc1SC 787955288 ADRLNVSYMGZMEZ-UHFFFAOYSA-N 432.683 4.389 5 20 IIBD Cc1c(CC(=O)Oc2ccc(Oc3ncc(Br)cn3)cc2)cccc1[N+](=O)[O-] 789731041 YZFNPNMEPQIUPL-UHFFFAOYSA-N 444.241 4.396 5 20 IIBD CC(C)c1[nH]nc(C(=O)O[C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)c1[N+](=O)[O-] 796252997 PVGKGRKVUGMJKD-SECBINFHSA-N 439.350 4.428 5 20 IIBD Cc1nc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)sc1Cc1ccc(F)c(F)c1F 801966909 QLWZPHYSGVMPJU-UHFFFAOYSA-N 440.378 4.341 5 20 IIBD Cc1cc(SC(C)(C)C)ccc1NC(=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 802614294 WYMAPXANMJHORQ-UHFFFAOYSA-N 429.542 4.433 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2cccc3cc(Br)cnc23)cc1[N+](=O)[O-] 807670186 BXNNDDJBJGSJEG-UHFFFAOYSA-N 431.202 4.374 5 20 IIBD C[C@@H](O)c1ncc(CN2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)s1 809548117 BUOAEZVWRNHRIO-OAHLLOKOSA-N 444.582 4.151 5 20 IIBD Cc1ccccc1[C@H](CC(=O)OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])NC(N)=O 811075095 PXJILNXBNDCCLQ-HNNXBMFYSA-N 426.256 4.053 5 20 IIBD COc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)c3ccccc32)cc([N+](=O)[O-])c1C 813278555 KWUWORSIOLFXQX-UHFFFAOYSA-N 427.457 4.314 5 20 IIBD C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CCN1C(=O)OC(C)(C)C 816507721 POMOETSMLLKCGG-NWDGAFQWSA-N 431.411 4.131 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CC[C@H]21 816998032 DUKMFKTVOWBNPK-HTAPYJJXSA-N 447.535 4.153 5 20 IIBD CC[C@@H](NC(=O)COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 822594856 XQLXQEJRZFPYOE-GOSISDBHSA-N 445.903 4.273 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2c(Cl)cc(Cl)cc2Cl)c([N+](=O)[O-])c1 863972313 QEMNIUWJVJKABN-UHFFFAOYSA-N 426.621 4.264 5 20 IIBD CCCc1[nH]nc(-c2nc(-c3ccc(Cn4cnc5ccccc54)cc3)no2)c1[N+](=O)[O-] 904471487 AWKAGWGALQURSX-UHFFFAOYSA-N 429.440 4.385 5 20 IIBD Cc1ccc([C@H](C)NC(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 914163870 DIILLKFSGJDHDP-INIZCTEOSA-N 440.477 4.162 5 20 IIBD C[C@@H](OC(=O)CCOc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)ccc1Cl 915450578 JFKQVQSFMIRUIC-LLVKDONJSA-N 427.240 4.241 5 20 IIBD COc1ccc(-c2nnc(SCc3cc(F)ccc3[N+](=O)[O-])n2C[C@H]2CCCO2)cc1 915791861 MWTOUQBTCHRNFJ-GOSISDBHSA-N 444.488 4.472 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NCc2ccc(CN3CCCC[C@@H]3C)cc2)c1[N+](=O)[O-] 917067666 RQPQSHSYDWXYOF-HNNXBMFYSA-N 428.489 4.290 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc(NC(=O)OC(C)(C)C)c(OC)c1 918037397 ODXKECQNYRQBMG-UHFFFAOYSA-N 446.460 4.281 5 20 IIBD O=C(NCc1cccc(N2CCOC2=O)c1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 918092520 HEDZOXAXGDZDIG-UHFFFAOYSA-N 446.463 4.094 5 20 IIBD COc1ccc2cc(CN(C)C(=O)[C@@H](C)OC(=O)c3ccc([N+](=O)[O-])cc3F)ccc2c1 919568461 ZXKWQJXJLWTQDC-CQSZACIVSA-N 440.427 4.100 5 20 IIBD C[C@@H](OC(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)c1ccccc1[N+](=O)[O-] 920270143 WKSIUVNMVMTDNR-CABCVRRESA-N 448.422 4.353 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@H]2c2nnc(-c3cccc(Cl)c3)o2)cc1 1118070873 MIINNXHQNBEEEU-KRWDZBQOSA-N 448.888 4.214 5 20 IIBD CS[C@@H]1CC[C@H](N(C)C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C1 1252197232 GKBIFWVZVNUUQD-CMPLNLGQSA-N 429.329 4.443 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc2nc(CN3CCCCC3)[nH]c2c1 1318557652 LNTJURBIJWXQLY-UHFFFAOYSA-N 427.892 4.292 5 20 IIBD COC(=O)c1ccc(OC(=O)c2csc(Cc3ccc(Cl)cc3)n2)cc1[N+](=O)[O-] 1343351247 PEFNDIKGMYPFSO-UHFFFAOYSA-N 432.841 4.301 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 1347516160 WZWJUPSULPRWEA-AYHJJNSGSA-N 449.960 4.112 5 20 IIBD Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])cc4F)CCC3)cc2)n1 1787324518 GRNUNHUZWHLQNL-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]3F)CCC2)cc1 1791522876 CKUDOSDLTJMVED-IRXDYDNUSA-N 443.500 4.179 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)[nH]n1)c1ccc([N+](=O)[O-])o1 1814312906 SPWYRFXJBDBBTE-JYYAWHABSA-N 441.488 4.043 5 20 IIBD Cc1cccc(C)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 1830637166 GPARVAKPSFIFMC-LJQANCHMSA-N 439.512 4.352 5 20 IIBD CC(C)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc(F)ccc2[N+](=O)[O-])CC1 1832889292 UPVHYGDYKJCXFW-NRFANRHFSA-N 447.551 4.332 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)CCCCCC(C)(C)C)C1 1846087003 IYUBSSWXSXPHMB-UHFFFAOYSA-N 445.560 4.422 5 20 IIBD COc1cc(CCNC(=O)CC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])cc1OC 11081386 XKMNTNMRIHSPJL-UHFFFAOYSA-N 434.492 4.493 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CCC(OCc4ccccc4)CC3)cc2)c(C)c1[N+](=O)[O-] 11368844 CFPNWUNRFZKIPX-UHFFFAOYSA-N 448.523 4.278 5 20 IIBD CC(=O)c1ccc(N2CCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])CC2)c(F)c1 15141014 BBHWBBNZLOBELS-UHFFFAOYSA-N 447.466 4.494 5 20 IIBD CCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nc2cc3ccccc3cc2c1=O 22177850 JZMFRUPLIGJFDD-UHFFFAOYSA-N 447.516 4.087 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(Cl)cc2Cl)cc1OC 23039541 PLXUXEJGQIAFMU-UHFFFAOYSA-N 443.283 4.208 5 20 IIBD O=C(COc1cccnc1[N+](=O)[O-])N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1 27267700 SSPZGIVIKQCBHX-INIZCTEOSA-N 432.392 4.086 5 20 IIBD CCOc1ccc(NC(=O)c2ccc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)cc2)cc1 30764723 XWWLXDGRANPBNW-UHFFFAOYSA-N 449.419 4.227 5 20 IIBD CCOC(=O)c1cc(C(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)cc([N+](=O)[O-])c1 32676592 OEIQMIMFUAHOSA-INIZCTEOSA-N 449.463 4.237 5 20 IIBD CCOc1cc(C(=O)N(C)Cc2cc(Br)cs2)c([N+](=O)[O-])cc1OC 61631953 DNLYJQVDRLFOQN-UHFFFAOYSA-N 429.292 4.098 5 20 IIBD NC(=O)c1ccc(CNc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)c([N+](=O)[O-])c1 71966238 MGLPMCHOEGOLDH-UHFFFAOYSA-N 448.357 4.170 5 20 IIBD CCc1cc(N2CCC[C@@H](c3nnc4n3CCCCC4)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 301079723 JOENZNXLWLGGAN-GOSISDBHSA-N 447.543 4.316 5 20 IIBD CS(=O)(=O)c1ccc(Nc2cccc(C[S@](=O)c3ccccc3)c2)c([N+](=O)[O-])c1 301298614 QDGGWRNOJIYWEG-NDEPHWFRSA-N 430.507 4.050 5 20 IIBD O=[N+]([O-])c1cnc(N2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)c(Br)c1 301720402 PUJSUQIZZWHCHZ-APWZRJJASA-N 431.334 4.243 5 20 IIBD CC(C)NC(=O)c1ccc(N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c([N+](=O)[O-])c1 302183224 OLYVDWYKZCVLSY-LJQANCHMSA-N 437.418 4.330 5 20 IIBD COCc1cc(Oc2ccc(I)cc2[N+](=O)[O-])nc(C(C)(C)C)n1 302496395 UOGMAKVFNVOYPD-UHFFFAOYSA-N 443.241 4.226 5 20 IIBD O=C(NCc1ccccc1)c1ccc(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cc1 303518355 YMJKIYNPERDOPT-UHFFFAOYSA-N 442.431 4.031 5 20 IIBD CCCN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@H]1C[C@@H](OCC)C12CCCC2 303892944 SBWSQKHVIXGIDQ-LEWJYISDSA-N 426.517 4.371 5 20 IIBD CC[C@@H](C(=O)N1CCC(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 409565067 HMKYIFOUXIHZEG-HTAPYJJXSA-N 438.528 4.140 5 20 IIBD C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 410180306 ZZKVBONYPNOZGU-JTQLQIEISA-N 427.240 4.469 5 20 IIBD COc1ccc2ccccc2c1CN(C(=O)NCCn1cc([N+](=O)[O-])cn1)C1CCCC1 426956011 LNYABBSAMUDBLX-UHFFFAOYSA-N 437.500 4.108 5 20 IIBD O=C(Nc1cc(Cl)c(F)c(Cl)c1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 427162356 LEAIDCDYBSSOAL-NSHDSACASA-N 432.260 4.346 5 20 IIBD Cc1cc(OCC(=O)Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)ccc1[N+](=O)[O-] 430563554 JDQFSXNLBFVEDN-UHFFFAOYSA-N 445.475 4.053 5 20 IIBD C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)COc1c(Br)cccc1[N+](=O)[O-] 431220484 JUPUYKFWFHVJQR-SNVBAGLBSA-N 429.217 4.234 5 20 IIBD C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H](OC1CCOCC1)c1ccccc1 437816332 ABUMPDUBHFWGMP-NYHFZMIOSA-N 432.904 4.232 5 20 IIBD O=C(NCCc1ccc(F)c(Br)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 438011111 ZGZMGXHQSWLJRH-UHFFFAOYSA-N 436.281 4.413 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(F)c(F)cc1I 438574503 DYSFNPRAKORKGO-UHFFFAOYSA-N 447.179 4.142 5 20 IIBD CC(C)c1ccc(C(=O)N2CCN(C(=O)c3cc4occc4s3)CC2)cc1[N+](=O)[O-] 438966685 YFIWSWLMOBFJBW-UHFFFAOYSA-N 427.482 4.124 5 20 IIBD Cc1ccc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])cc1-n1cnnn1 440754509 LWXWMAVHCMIWEO-UHFFFAOYSA-N 432.465 4.282 5 20 IIBD O=C(NCCCOc1ccc(Cl)cc1Cl)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 445008907 CDXYGWOCHWPEQI-UHFFFAOYSA-N 438.271 4.046 5 20 IIBD Cc1c(NC(=O)C(=O)N(Cc2ccc(Br)cc2)C(C)C)cccc1[N+](=O)[O-] 446901503 CQIDQNWBHHVINN-UHFFFAOYSA-N 434.290 4.041 5 20 IIBD C[C@@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 446956682 ICSLMAIIYBANRT-NSHDSACASA-N 439.287 4.485 5 20 IIBD COc1cccc(CNC(=O)[C@H](C)Sc2ccc(Br)cc2[N+](=O)[O-])c1 447354858 MYWGMPBAVSCVFM-NSHDSACASA-N 425.304 4.163 5 20 IIBD Cc1ccccc1[C@H]1CN(C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)[C@@H](C)CO1 460399732 JJUYZCNJEWPFIC-GAJHUEQPSA-N 448.523 4.367 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H](CN3CCCCC3)C2)cc1 461451618 WANPOAAYBRAPBM-SFHVURJKSA-N 439.512 4.344 5 20 IIBD COc1cccc([C@H]2CCCN2c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@H]2CCOC2)c1 461639535 GYNYERTXKDHNDZ-VGOFRKELSA-N 449.511 4.240 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1 462165806 RDXLYELKTABMAJ-JKSUJKDBSA-N 431.297 4.100 5 20 IIBD O=C(NC[C@@H]1CCN(c2ccccc2F)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 462371565 QOSXYZFTNIEHIK-AWEZNQCLSA-N 426.473 4.114 5 20 IIBD CSc1cccc([C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)c2ccc(F)c(F)c2)c1 464117524 XEMFAXUHUVITKZ-FQEVSTJZSA-N 432.452 4.087 5 20 IIBD COc1cc(CNCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)c([N+](=O)[O-])cc1O 466451550 KJZKLJHZOOKLJS-HNNXBMFYSA-N 425.510 4.328 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1cc(Br)c(F)cc1F 466481638 MWKVKANPFUJLFM-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD O=C(CC1CCCCC1)NC1CCC(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 469140006 WOLRAXOETWJIAL-UHFFFAOYSA-N 438.528 4.727 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC(Cc2ccc(F)c(F)c2)CC1 470573721 IPQMQVHYNBCZNO-UHFFFAOYSA-N 426.423 4.154 5 20 IIBD COCCC[C@@H](Cc1ccccc1)NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 472461200 XLWIZYDEZZAOJO-FQEVSTJZSA-N 441.528 4.186 5 20 IIBD COCCOc1ccccc1N1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 473904778 UVSFKEJPKJPENA-UHFFFAOYSA-N 441.531 4.376 5 20 IIBD CCCCn1ccnc1-c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1 477370287 BAEMIQUJLCXQPI-UHFFFAOYSA-N 430.486 4.068 5 20 IIBD CCOc1cc(N2CCN(C(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)CC2)ccc1[N+](=O)[O-] 477380434 XYSOWRBWXOXCFQ-GJZGRUSLSA-N 429.439 4.011 5 20 IIBD CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C(N)=O)c1cccc(Br)c1 479483056 VVGZGZCDDFFGCZ-RHSMWYFYSA-N 438.347 4.044 5 20 IIBD CCC(=O)c1ccc(N[C@@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)c([N+](=O)[O-])c1 479853924 UTZOGVNAENEODE-HNNXBMFYSA-N 433.530 4.391 5 20 IIBD O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 480047107 UQLAMIFLQSHVCQ-UHFFFAOYSA-N 433.449 4.347 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1nc2ccccc2n1CCc1ccccn1 480385329 QCSKKOSRNQTHKW-UHFFFAOYSA-N 444.495 4.413 5 20 IIBD Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c(Cl)cc1Cl 481942061 IPBFQERCBFENDW-UHFFFAOYSA-N 441.090 4.168 5 20 IIBD O=[N+]([O-])c1cccc(F)c1CN[C@@H](CO)c1ccc(Br)cc1C(F)(F)F 483240332 HFIYJNPZEKHWBQ-AWEZNQCLSA-N 437.187 4.338 5 20 IIBD CCCNC(=O)c1cccc(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 485768965 AVJGNYGDIPYSOP-UHFFFAOYSA-N 447.491 4.244 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)Nc2cccc(C)c2)CC1 485783400 GQRDTYNLMJRBIB-UHFFFAOYSA-N 428.514 4.005 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc(-n2ccnn2)cc1 489106421 VTDNKLSVQVSVJY-HNNXBMFYSA-N 425.514 4.415 5 20 IIBD CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)n[nH]1 489197916 XUTVUJCXPCTBAZ-WDEREUQCSA-N 425.439 4.082 5 20 IIBD CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1Cl 489707502 NKSBSMHEQYXKRI-UHFFFAOYSA-N 447.875 4.190 5 20 IIBD O=C(N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 489957996 QXAAZXYETYWJNC-FQEVSTJZSA-N 449.417 4.168 5 20 IIBD Cc1ccc2oc(-c3nnc(NS(=O)(=O)c4cc([N+](=O)[O-])c(C)cc4C)o3)cc2c1 494477715 RMTAQNIQTGQZJU-UHFFFAOYSA-N 428.426 4.117 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CSc2ccc(Br)cc21 494577467 FQASCZIOKOKWEN-AWEZNQCLSA-N 438.303 4.012 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@@H](C)c2cccnc2)c([N+](=O)[O-])c1 497746454 TWIHIBMJMKWFIG-INIZCTEOSA-N 426.498 4.378 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(Sc3nnc(-c4cccnc4)n3-c3ccccc3)cc2N1 498857914 SDRZPVAUFVJUIV-UHFFFAOYSA-N 444.476 4.273 5 20 IIBD CC(C)c1ccc(C[C@H](C)NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 500381559 QSQTUDXPXQPUDZ-HNNXBMFYSA-N 439.541 4.359 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O 503112163 PPRJPSLHTZITQQ-MRXNPFEDSA-N 433.917 4.286 5 20 IIBD COc1ccc([C@H](C)NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(C)c1OC 503538235 WPOSQRDUNIETLS-LBPRGKRZSA-N 441.406 4.500 5 20 IIBD COc1ccccc1[C@@H]1CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CCN1 505566843 SXHDJQLCCZIHSP-QFIPXVFZSA-N 446.507 4.002 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCC(=O)Nc1cccc2ccccc12 506651076 JRIGBWVBUZHYOI-UHFFFAOYSA-N 435.483 4.063 5 20 IIBD O=C(CC[S@](=O)Cc1ccc(Br)cc1Cl)Nc1ccccc1[N+](=O)[O-] 507708671 JLVDYEPRMQZYLM-VWLOTQADSA-N 445.722 4.288 5 20 IIBD O=C(Cc1csc(-c2cccnc2)n1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 514567654 GUWCRZWUQOLRAI-UHFFFAOYSA-N 436.415 4.247 5 20 IIBD Cc1cc(C(=O)Nc2cc(NC(=O)CN3CCCC[C@H]3C)ccc2F)cc([N+](=O)[O-])c1 518906197 FNWZYKLDHJTFLM-OAHLLOKOSA-N 428.464 4.108 5 20 IIBD CCCc1[nH]nc(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)c1[N+](=O)[O-] 521906122 URSDXSRCHZPJIF-UHFFFAOYSA-N 448.483 4.113 5 20 IIBD O=C(Nc1nc2ccc(Cl)cc2s1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 521954869 DMDLBJDCDBTQKY-LLVKDONJSA-N 436.902 4.163 5 20 IIBD COC(=O)c1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(OCC(F)(F)F)c1 524379446 DQCBJOZPMDDQDP-UHFFFAOYSA-N 438.314 4.321 5 20 IIBD COc1cc(C(=O)NCc2ccccc2Oc2cccc(F)c2)cc([N+](=O)[O-])c1OC 525567067 UWNBQAFTXWXESF-UHFFFAOYSA-N 426.400 4.473 5 20 IIBD COc1ccc(CC[C@H]2CCCCN2CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1OC 532528424 SJSCOCAAJBEBAE-LJQANCHMSA-N 441.528 4.346 5 20 IIBD COc1cc(CNc2ccc(F)c(NC(C)=O)c2)c([N+](=O)[O-])cc1OCC(F)(F)F 534827107 BKFFWLBTKCJDIX-UHFFFAOYSA-N 431.342 4.254 5 20 IIBD O=C(N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 539444630 KNEBTNYXGMRMOT-FUHWJXTLSA-N 431.420 4.257 5 20 IIBD CN(C(=O)CCc1nnc(-c2ccccc2)o1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 540451680 MQLATWMDGDBZEX-UHFFFAOYSA-N 435.465 4.364 5 20 IIBD CC(C)c1ccc([C@@H](C)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)cc1 543138336 FOEFWAYVGJIKFM-QGZVFWFLSA-N 431.558 4.005 5 20 IIBD C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc([N+](=O)[O-])cc1F 543443156 QXWGACMVMVDUTR-HNNXBMFYSA-N 449.504 4.041 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1OCCc1nc(-c2cccc(Cn3ccnc3)c2)no1 545574094 HNSUQZKRMOHKKT-UHFFFAOYSA-N 425.832 4.165 5 20 IIBD CC(C)OC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cccs2)CC1 555439010 AHXGNZCTYNHBKB-UHFFFAOYSA-N 427.530 4.357 5 20 IIBD COc1cc(-c2nc(-c3ccc(N(C)C(=O)c4ccncc4)cc3)no2)cc([N+](=O)[O-])c1C 561898192 NMSREAXXNOUAJC-UHFFFAOYSA-N 445.435 4.300 5 20 IIBD CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1cc([N+](=O)[O-])cc(Br)c1C 567509135 YITHLVKQILIQOD-UHFFFAOYSA-N 434.334 4.390 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc([C@H](c3ccc(Cl)cc3Cl)N3CCOCC3)n2)c1 570557101 IEUOWLNNMWGYHV-KRWDZBQOSA-N 435.267 4.373 5 20 IIBD COc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)c(C)c1OC 570729526 IZOQGCXZYUQKIQ-UHFFFAOYSA-N 434.246 4.324 5 20 IIBD COC(=O)c1sc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)nc1C(C)(C)C 580472818 WZHVTDDORUIWDZ-UHFFFAOYSA-N 431.392 4.407 5 20 IIBD Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 582821565 OQPOLAOLTXLVAI-UHFFFAOYSA-N 427.549 4.295 5 20 IIBD C[C@H](C(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 583727325 BOFFUUHUXUJLNT-KRWDZBQOSA-N 438.505 4.452 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(N2CCc3sccc3C2)nc1 588234465 UQYJTDSDOYYYHJ-UHFFFAOYSA-N 437.525 4.320 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N(Cc1cccc(F)c1)C1CCCC1 603531114 XLAMCIMDSVBELC-UHFFFAOYSA-N 441.459 4.393 5 20 IIBD O=C(CCCc1nc(-c2ccc(F)cc2)no1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 603637897 HFXDFKWGQVUZNG-UHFFFAOYSA-N 436.346 4.347 5 20 IIBD Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 610235013 CWCCODSXCVZCMF-JOCHJYFZSA-N 439.541 4.009 5 20 IIBD COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 611097740 GHTRHDVPYNNQRH-UHFFFAOYSA-N 449.467 4.072 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCC(OCC3CCCCC3)CC2)c(C)c([N+](=O)[O-])c1 617017707 QNHKNASESWDUNJ-UHFFFAOYSA-N 433.505 4.283 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOc2ccc(Br)cc2C1 619820225 FYHJCFMTFBAQTO-GFCCVEGCSA-N 437.315 4.259 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCC[C@@H](C[C@H]2CCOC2)C1 672929764 RVHFDASKYILAAK-LSDHHAIUSA-N 426.463 4.238 5 20 IIBD Cc1cc(Cl)ccc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Br 725985187 HREJZCUSODBVSE-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD Cc1nc(C(=O)OCCOc2ccccc2[N+](=O)[O-])nn1-c1c(Cl)cccc1Cl 728380600 GZGUMAOSOCFPGE-UHFFFAOYSA-N 437.239 4.027 5 20 IIBD Cc1cc(Cl)ccc1O[C@H](C)C(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 729191746 FDSFWRLPTSCWQX-OAHLLOKOSA-N 433.892 4.179 5 20 IIBD Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)O[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 729454641 FCRIMYJTPGWYCS-HNNXBMFYSA-N 426.498 4.497 5 20 IIBD O=C(Cc1ccc(Cl)c(Cl)c1)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730705456 YWYOSOHZEYUFNL-AWEZNQCLSA-N 437.279 4.292 5 20 IIBD CCCCSc1nnc(Sc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])s1 731917765 PNHDFBLCVFVMRD-UHFFFAOYSA-N 441.528 4.486 5 20 IIBD O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 733160636 RGFFZNJOUAFEGO-IBGZPJMESA-N 441.553 4.119 5 20 IIBD CC(C)OC(=O)Cc1nc(COC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cs1 733474772 RHZKDDHLXIWXDY-UHFFFAOYSA-N 447.494 4.026 5 20 IIBD CN(C)C(=O)c1ccccc1NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 735999350 CKPRKYGANUOKFA-UHFFFAOYSA-N 448.266 4.041 5 20 IIBD Cc1ccc(NCCCNC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)c([N+](=O)[O-])c1 739655337 QMMBVICVQKJUPG-UHFFFAOYSA-N 441.919 4.342 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cc2C(=O)NCC2CC2)cc1OC 740794237 ITWGMRLAJZDPDO-UHFFFAOYSA-N 447.875 4.048 5 20 IIBD COc1ccc(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 742051289 QHBPWJZBFXVSLP-SFHVURJKSA-N 426.469 4.154 5 20 IIBD O=C(OCC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)c1cc(F)ccc1[N+](=O)[O-] 743197258 IGESXJLJYCXHOX-NRFANRHFSA-N 440.452 4.127 5 20 IIBD CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)OC1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 744173456 FREKIFSGPVUDGA-BSIFCXSSSA-N 434.533 4.489 5 20 IIBD Cn1cc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1 747491256 IAFGYYOWFLOWGC-UHFFFAOYSA-N 429.816 4.175 5 20 IIBD Cc1cc(Cl)ccc1O[C@@H](C)C(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 750434988 QZCFQLSWIKDLNL-HNNXBMFYSA-N 433.892 4.179 5 20 IIBD CC(C)(C)OC(=O)N(CC1CC1)C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 751051767 WEKJTFAUAGWSKX-DHZHZOJOSA-N 429.517 4.246 5 20 IIBD Cn1cnc2cc(C(=O)Oc3ccc4c(-c5ccc([N+](=O)[O-])cc5)cc(=O)oc4c3)ccc21 753007263 IJUVCFQPXWYEAK-UHFFFAOYSA-N 441.399 4.474 5 20 IIBD C[C@@H](C(=O)NC[C@@H](O)c1cccc(OCc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1F 755512086 GMAQUYMLCYLWIR-WAIKUNEKSA-N 438.455 4.266 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N(Cc1ccccc1)C[C@@H](O)c1cccs1 755765826 ZEWQUEHTSPNRLY-OAQYLSRUSA-N 448.504 4.218 5 20 IIBD CN(C(=O)c1ccc(C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)cc1)c1ccccc1 757856285 LBSHYCQBKDWSDK-UHFFFAOYSA-N 431.404 4.370 5 20 IIBD C[C@H]1CCN(C(=O)COC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c2ccccc2S1 758732410 PRWGFWXZGIFCKT-AWEZNQCLSA-N 439.493 4.079 5 20 IIBD C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 759150584 YIAUXRUTJWNSFD-SECBINFHSA-N 430.675 4.241 5 20 IIBD Cc1cc(C)n(-c2ccc(C(=O)O[C@@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)cc2F)n1 759947424 KAVUHFMQKSLNHP-RBUKOAKNSA-N 427.436 4.074 5 20 IIBD COC(=O)c1cc(C(=O)N2CCC[C@@H]2c2c(C)nn(CC(C)C)c2Cl)cc([N+](=O)[O-])c1 760069548 FAISBAZFWDYRNS-QGZVFWFLSA-N 448.907 4.173 5 20 IIBD Cc1nn(C)c(C)c1[C@@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(F)(F)F 760762889 IROVODJVZXOWCS-GOSISDBHSA-N 440.422 4.008 5 20 IIBD CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)c2ccccc2C1 763451325 ZATKKIVAVAUHGD-UHFFFAOYSA-N 433.411 4.271 5 20 IIBD COC(=O)c1ccc(OC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)cc1[N+](=O)[O-] 763706350 PKEKPKDHLAQNSF-UHFFFAOYSA-N 445.815 4.013 5 20 IIBD C[C@@H](OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(=O)Nc1ccc(Cl)cc1Cl 763869840 JNONJTMHBJSEHH-LLVKDONJSA-N 449.250 4.271 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N(C)Cc2ncc(-c3ccccc3)[nH]2)CC1 763965802 WPCZXBBJEKLHJH-UHFFFAOYSA-N 433.512 4.493 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1nnc(-c2cccc(C)c2)o1 764234040 LCCBJOQBEVXEBS-UHFFFAOYSA-N 429.454 4.049 5 20 IIBD Cc1cc(Cl)ncc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 766258953 QJMOEWZMPFDJQB-UHFFFAOYSA-N 443.813 4.325 5 20 IIBD CN(CC1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1)C(=O)OC(C)(C)C 769335585 NMUKVXAPCMICGC-UHFFFAOYSA-N 443.548 4.074 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 769421696 CRNUGQFEYCXDNR-AEFFLSMTSA-N 443.548 4.121 5 20 IIBD C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 775732241 UZBKPBFZDSHGAX-BBATYDOGSA-N 442.274 4.441 5 20 IIBD Cc1ccc(Sc2ccc(CNC[C@H]3COC4(CCOCC4)O3)cc2[N+](=O)[O-])cc1 776952806 BICGVGYQIFIYKX-SFHVURJKSA-N 430.526 4.066 5 20 IIBD CSc1cccc(C(=O)O[C@@H](C(=O)N2CCc3ccccc3C2)C(C)C)c1[N+](=O)[O-] 777073996 FQANJQFPGLBYLB-HXUWFJFHSA-N 428.510 4.083 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 777319617 ADWIEBLVCNSFHL-MRXNPFEDSA-N 431.445 4.083 5 20 IIBD CN1CCN(c2ccc(NC3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2Cl)CC1 777657925 DIUCLOHOHDBMIT-UHFFFAOYSA-N 429.952 4.081 5 20 IIBD O=C(c1cc([N+](=O)[O-])c2nsnc2c1)N1CCCCC[C@H]1C[C@@H](O)c1ccccc1 778367820 IORFCWNGAVZLGP-QFBILLFUSA-N 426.498 4.108 5 20 IIBD COc1ccc(C(=O)O[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3F)C2)cc1-c1ccccn1 778804867 BFQUAINHNYYALH-QGZVFWFLSA-N 437.427 4.240 5 20 IIBD CC/C(C)=C(/C)C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 779728959 YXDNPLYCLVQXLB-CFUOPJTHSA-N 437.905 4.147 5 20 IIBD Cc1nc(-c2ccccc2)ccc1C(=O)N(C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 780311715 DUWOYJODMDBZQL-UHFFFAOYSA-N 445.884 4.080 5 20 IIBD Cc1nc2cc(NC(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)ccc2s1 781224838 PJLSCZBSHLNLIG-UHFFFAOYSA-N 426.483 4.045 5 20 IIBD O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N(Cc1cccnc1)c1ccc(Cl)cc1 781620027 XFTIOTXBSPTGQU-NRFANRHFSA-N 436.855 4.370 5 20 IIBD C[C@H](OC(=O)c1cccc([N+](=O)[O-])c1Br)c1nc(Cc2ccccc2)no1 781677561 HRLWWLCNQMOTEJ-NSHDSACASA-N 432.230 4.249 5 20 IIBD CC(C)[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1Br)C(=O)N(C)c1ccccc1 781678977 UXBGYACPLQBXGW-QGZVFWFLSA-N 435.274 4.202 5 20 IIBD Cc1c(Cl)cccc1NC(=O)COC(=O)c1cccc([N+](=O)[O-])c1Br 781679567 ZGHMAUDEDRRMBV-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1ccc(Oc2nncc3ccccc23)cc1 783601694 YQUIVWYHXGPETD-UHFFFAOYSA-N 434.383 4.487 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCc1ccc(Cl)nc1C(F)(F)F 787780795 RQEQWOSGINOFKL-UHFFFAOYSA-N 433.726 4.246 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3ccc(C)c(C(C)=O)c3)CC2)ccc1[N+](=O)[O-] 789431367 ARMBKELOKLSDPK-UHFFFAOYSA-N 426.469 4.330 5 20 IIBD Cc1c(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cnc2ccccc12 791172058 KOQXEVVTKWLIRF-UHFFFAOYSA-N 426.270 4.412 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c(F)c1 792474177 IFRBHWRILVMQAZ-NSHDSACASA-N 439.237 4.297 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 797606844 OKUVMOLYZIVCLI-SFHVURJKSA-N 426.473 4.074 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(c1ccc(CC(=O)N(C)C)cc1)C(C)C 799450725 JGTLMQMQMGJAMQ-HXUWFJFHSA-N 425.529 4.236 5 20 IIBD COC(=O)c1sc(/C=C/c2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])nc1Cl 799500052 TXTLPKFCAMNNBR-ONEGZZNKSA-N 434.804 4.314 5 20 IIBD Cc1sc(Br)c(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1C 799540186 HSKHWXPXNQLCSN-UHFFFAOYSA-N 438.259 4.443 5 20 IIBD CC(C)Sc1ccccc1C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 802639018 YAVYWXAQFOFQSV-UHFFFAOYSA-N 446.481 4.052 5 20 IIBD O=C(NCc1ccc2ncccc2c1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 807190440 MAZYPYRDCQPBQY-UHFFFAOYSA-N 441.285 4.173 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)N[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)c1F 809029318 KYBSZBAANPCAFR-IBGZPJMESA-N 426.366 4.193 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@H]1CCN(c2ccccc2Br)C1 809920649 YMGADYPCXJZRKQ-NSHDSACASA-N 439.697 4.411 5 20 IIBD CC(=O)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811374350 GQHQFBURWURRGV-JTQLQIEISA-N 425.224 4.288 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N[C@@H](C)c2ccc(N3CCCNC3=O)cc2)c1Br 812487446 ONTLGCUWWFWRDT-LBPRGKRZSA-N 434.294 4.154 5 20 IIBD CN(C)c1cc(F)c(C(=O)O[C@@H](C(=O)Nc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 814484733 KEHKLSCHCSROFH-OAQYLSRUSA-N 437.427 4.337 5 20 IIBD C[C@@H](c1nc2ccccc2s1)N(C)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] 814980886 UMFHNHZJYMVNRK-VIFPVBQESA-N 429.882 4.379 5 20 IIBD C[C@H](OC(=O)CCc1ccc(-c2ccccc2)o1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 844258446 XPZOBABFOKWAAD-AWEZNQCLSA-N 426.400 4.497 5 20 IIBD Cc1cc(C)n(CCC(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)n1 887554562 NBYPBZUHSZFWGE-UHFFFAOYSA-N 442.859 4.310 5 20 IIBD O=[N+]([O-])c1c(-c2nc(-c3ccc(CN4CCOCC4)cc3)no2)ccnc1-c1ccccc1 904513616 ZOSWGUFJNVGOOY-UHFFFAOYSA-N 443.463 4.206 5 20 IIBD Cc1c(NC(=O)c2cncc(C(=O)Nc3cccc([N+](=O)[O-])c3C)c2)cccc1[N+](=O)[O-] 915829546 UARMNCPIMSGYPX-UHFFFAOYSA-N 435.396 4.019 5 20 IIBD CCOC(=O)/C=C\c1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 915832959 OQNDDDSOCXHJDN-YHYXMXQVSA-N 438.358 4.365 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1 919161288 CPFAIBMCYBMINS-CQSZACIVSA-N 427.482 4.173 5 20 IIBD C[C@@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(=O)Nc1ccc(Br)cc1 919213959 OBXBHWGTBXCEJN-SNVBAGLBSA-N 433.214 4.288 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2oc3c(C)ccc(C)c3c2C)c([N+](=O)[O-])c1 920651297 AOTIEJGYQTVMFJ-AWEZNQCLSA-N 426.425 4.459 5 20 IIBD O=C(NCc1ccc(Br)cc1F)c1ccc(Br)c([N+](=O)[O-])c1 1121233767 VRIGFSBEJBIRLB-UHFFFAOYSA-N 432.043 4.189 5 20 IIBD Cc1nc(-c2ccc3c(c2)CCN3C(=O)Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)cs1 1318305070 LTSJSAQJGJKXRY-UHFFFAOYSA-N 445.504 4.480 5 20 IIBD CC(C)(NC(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 1323652899 AEZJKIPCRNRWLD-NRFANRHFSA-N 433.512 4.452 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(Cc1coc(-c3ccc(I)cc3)n1)C2 1341173527 AMKRAWBLTQWUPI-UHFFFAOYSA-N 447.232 4.370 5 20 IIBD COc1cc(C(=O)N2[C@H](C)CO[C@@H](c3ccccc3)[C@H]2C)c([N+](=O)[O-])cc1OC(F)F 1518404305 QTOFTJGAFRUUPG-VLXJIEOASA-N 436.411 4.196 5 20 IIBD C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3nc[nH]c3[N+](=O)[O-])cc2)CCC1)c1ccccc1 1788613183 KUMHRGJKLODUSA-INIZCTEOSA-N 447.495 4.259 5 20 IIBD Cc1cncc(CCC(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])[nH]4)cc3)CCC2)c1 1790184454 UNEFVZDXJQNHOP-UHFFFAOYSA-N 447.495 4.007 5 20 IIBD CC/C=C(\C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 1803455071 KBZFBHZELJBQFR-VCFRUKELSA-N 427.526 4.418 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cc([C@H]2CCCCN2C(=O)C2CCCC2)[nH]n1 1823501197 PITFTKCWDVPJDI-DRUFCSCSSA-N 437.500 4.214 5 20 IIBD O=C(/C=C/c1cccs1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823611526 HCFKLFKDDONHPR-IWHGQQBYSA-N 443.525 4.196 5 20 IIBD C[C@@H]1C[C@@]1(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830617974 HTEUZDUISVCIKC-ZNRXUEPQSA-N 431.508 4.013 5 20 IIBD CCC[C@H]1CC[C@H](C(=O)N2CCCC23CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C3)CC1 1846077950 IMWOUVASCSBCNW-CDHKCVOXSA-N 439.556 4.418 5 20 IIBD C[C@H](Sc1nnc(-c2ccco2)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 10014418 FIUIUUDDVJNHKV-VIFPVBQESA-N 441.391 4.121 5 20 IIBD COC(=O)CCNC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2 14387796 QYRDHDGBQXPTCI-BMRADRMJSA-N 445.475 4.313 5 20 IIBD C[C@H](OC(=O)CCc1cnn(-c2ccccc2)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 16615242 KGRAADAWWVPCGW-HNNXBMFYSA-N 433.424 4.068 5 20 IIBD Cc1cc(Cl)ccc1OCC(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 20751756 UAMBCTIOOMNLMI-LLVKDONJSA-N 427.240 4.159 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1ccc(OC(F)(F)F)cc1 20822388 DFMFHKRELSPUOW-SECBINFHSA-N 432.738 4.331 5 20 IIBD Cc1csc(Sc2ccc(C(=O)O[C@H](C)C(=O)N3CCC(C)CC3)cc2[N+](=O)[O-])n1 22089231 KUUKKCDLEZHSKY-CQSZACIVSA-N 449.554 4.315 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)c1cccs1 24768780 AWYRGOGWSYABNC-OAHLLOKOSA-N 439.493 4.303 5 20 IIBD COc1ccc(NC(=O)CCN2CCC(C(=O)c3ccc(C)cc3C)CC2)c([N+](=O)[O-])c1 26644956 KVLIFRUYMCJMQU-UHFFFAOYSA-N 439.512 4.144 5 20 IIBD CCCCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc2ccccc2c1=O 28383961 GGCHKWQKGMKUIT-UHFFFAOYSA-N 446.916 4.489 5 20 IIBD Cc1ccc(S(=O)(=O)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c2ccccc2)cc1 28942934 WPAHFFHQSPUOON-UHFFFAOYSA-N 440.477 4.165 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCc2ccc(NC(C)=O)cc2)c([N+](=O)[O-])c1 29462898 HHYGPSICMDAGPP-UHFFFAOYSA-N 447.447 4.183 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)nnc1-c1cccs1 36859570 WOTXRZLFXWYXPQ-NSHDSACASA-N 433.515 4.063 5 20 IIBD O=C(COc1cccc(Br)c1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 40870778 CYEZBHAEBIPLGL-UHFFFAOYSA-N 434.271 4.498 5 20 IIBD CC(=O)c1ccc(N2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn34)C2)c([N+](=O)[O-])c1 58441710 DHYYUVDSLWPAEU-CQSZACIVSA-N 433.390 4.243 5 20 IIBD CCOCCOc1c(Cl)cccc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 62930416 IPHBCSYLPBPECZ-UHFFFAOYSA-N 449.312 4.426 5 20 IIBD O=C(NCc1ccccc1Oc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 63419257 LMJOHEWHPMNIIH-UHFFFAOYSA-N 425.828 4.295 5 20 IIBD CCCS(=O)(=O)Nc1ccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 65125108 LUDHSQNVGGUCMW-UHFFFAOYSA-N 446.510 4.122 5 20 IIBD CCn1c(-c2cccc(C)c2)nn(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1=S 98067929 CMASIJXQEKTECF-UHFFFAOYSA-N 438.557 4.097 5 20 IIBD CC(C)CCn1c(=O)c2ccccc2n2c(S/C=C\c3ccc([N+](=O)[O-])o3)nnc12 205683416 RVVDCVJAUUFUNJ-BENRWUELSA-N 425.470 4.355 5 20 IIBD CN1CCCN(CCCNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 237172474 YFKMGVAGERZZJO-UHFFFAOYSA-N 432.952 4.158 5 20 IIBD Cc1nn(-c2ccccc2)cc1CCCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 303453074 LGSXGEVGNOQQFD-UHFFFAOYSA-N 433.512 4.370 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCCN(Cc3ccccc3)c3ccccc32)cc1 303876022 NYDXDEGVYUWPBD-UHFFFAOYSA-N 437.521 4.342 5 20 IIBD C[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(-n2cccn2)cc1 426021822 KHSGJVIUTHZFQX-ZDUSSCGKSA-N 433.390 4.360 5 20 IIBD Cc1ccc(CN[C@H](Cc2csc(-c3ccccc3Cl)n2)C(=O)O)cc1[N+](=O)[O-] 426735423 FKMAIYPBPORTJG-QGZVFWFLSA-N 431.901 4.466 5 20 IIBD C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1nc(Cc2ccccc2)no1 427204547 LEEBVNSOMMZFMI-ZDUSSCGKSA-N 435.465 4.183 5 20 IIBD O=C(Nc1cc(-c2ccc(Br)o2)no1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 427671827 KIUZWMKSXSNGKF-UHFFFAOYSA-N 445.185 4.111 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C(=O)O)[C@H](c2ccc(Cl)cc2)C1 427754473 GLGCNBYCMMOYMT-OCBCSQNSSA-N 434.901 4.056 5 20 IIBD CN1C[C@H]2CN(C(=O)C/C(=C/c3ccc([N+](=O)[O-])cc3)c3nc4ccccc4s3)C[C@H]2C1 427776761 GJGOYBOBOYERMY-SIABIFCXSA-N 448.548 4.155 5 20 IIBD CC(C)(NCC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)c1ccccc1[N+](=O)[O-] 429261462 QHLFRMPFDIWCIT-SFHVURJKSA-N 438.509 4.452 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(CO)C[C@H]1c1ccc(F)cc1 430138848 OJEBOPZAXGZKOH-UGKGYDQZSA-N 432.517 4.378 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 430638160 CHSODKGXVAYCBA-GJYPPUQNSA-N 431.920 4.185 5 20 IIBD CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 431441549 SQBCQIBNPLXWSK-GFCCVEGCSA-N 434.290 4.272 5 20 IIBD O=[N+]([O-])c1cc(Cl)cnc1Sc1nnc(CN2CCCC2)n1Cc1ccccc1 434943473 PSQFKKZCHAPTQM-UHFFFAOYSA-N 430.921 4.030 5 20 IIBD CN(C)[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccsc1 436094129 RKEYXGSWJQERBS-LJQANCHMSA-N 427.476 4.054 5 20 IIBD O=C(Nc1cccc(N2CCCCCC2)c1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 437048410 ZFRVUCIOASREDY-UHFFFAOYSA-N 436.512 4.105 5 20 IIBD CCOc1cc(NC(=O)N2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)c([N+](=O)[O-])cc1OCC 439346778 NSSGSILAKJWWOY-LORHWOILSA-N 435.521 4.186 5 20 IIBD CCOc1ccc(NC(=O)CN[C@H](c2cccc(Cl)c2)c2ccccn2)c([N+](=O)[O-])c1 441057137 ZXIFDLFQNUCMAT-JOCHJYFZSA-N 440.887 4.360 5 20 IIBD O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCCN(CC(F)(F)F)CC1 441830754 SRWIJYYDUJMCDF-UHFFFAOYSA-N 439.459 4.456 5 20 IIBD COCc1cc(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)ccc1F 444004847 NIBJJRORIBJOFT-UHFFFAOYSA-N 426.394 4.175 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCc2ccc3c(n2)CCCC3)cc1[N+](=O)[O-])c1ccccn1 444551408 RWJGLIUOBWWRSX-MRXNPFEDSA-N 431.496 4.367 5 20 IIBD COc1cc(CN2CCC(CO)(Cc3ccccc3)CC2)c([N+](=O)[O-])cc1OC(F)F 444783451 LAJNGQSZJQNVKU-UHFFFAOYSA-N 436.455 4.022 5 20 IIBD CCOc1ccc(NC(=O)Cc2noc([C@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)cc1 445342707 LOBFTGNZRZOVII-ZDUSSCGKSA-N 428.470 4.411 5 20 IIBD O=C(Cc1noc(/C=C/c2ccc(F)cc2[N+](=O)[O-])n1)Nc1ccccc1C(F)(F)F 445423526 LHOXVPFBBICDEK-SOFGYWHQSA-N 436.321 4.487 5 20 IIBD CC(C)(c1noc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)n1)c1cccc(Cl)c1F 445591385 HNKUDCHAXTZHNY-UHFFFAOYSA-N 428.811 4.344 5 20 IIBD CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 446546598 JQZDMEXDUHWQCY-JZXOWHBKSA-N 440.548 4.057 5 20 IIBD Cc1ccc(CN2CCCC2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 446968043 VZWOUBPPBNFXPP-UHFFFAOYSA-N 443.447 4.319 5 20 IIBD O=C(Nc1ccc(-c2ccc(Cl)s2)cn1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 448514013 UMUHQWNSXUBISR-UHFFFAOYSA-N 426.845 4.205 5 20 IIBD C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 464389895 NMJNKMXYZVAYHT-INIZCTEOSA-N 438.505 4.499 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCO[C@@H]1c1ccnn1-c1ccccc1OC 464724370 QZXAFHZVTBMQGX-JTSKRJEESA-N 436.468 4.068 5 20 IIBD CCOc1cc(NC(=O)N[C@@H]2C[C@@]2(C)c2ccccc2OC)c([N+](=O)[O-])cc1OCC 466048490 IDMKPPKBUXKRCS-IRLDBZIGSA-N 429.473 4.253 5 20 IIBD CC(=O)N1CC[C@@H](CN(C)C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 466542191 QDGBMXFEZVZBGE-HNNXBMFYSA-N 447.944 4.340 5 20 IIBD Cc1ccc([C@@H]2OCCC[C@H]2NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 467795776 CPFZMZIPYRODSK-WBVHZDCISA-N 445.324 4.409 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1nc(-c2ccc(SC)cc2)cs1 468930919 IZHXEGABICSFLX-CQSZACIVSA-N 446.558 4.311 5 20 IIBD Cc1cccc(CC2(O)CCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 477705614 TUVQBZHIYCTHTL-UHFFFAOYSA-N 434.945 4.245 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NCc1cccc([N+](=O)[O-])c1C 479727211 ZCRRXFZUXSHNDE-UGSOOPFHSA-N 436.306 4.241 5 20 IIBD CCc1c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cnn1-c1ccc(C(F)(F)F)cc1 480234073 WHYMIXHVYFOLLC-UHFFFAOYSA-N 440.403 4.163 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1n[nH]c(-c2ccccc2Cl)n1 480645025 IMVZAGSCBLETTL-UHFFFAOYSA-N 433.877 4.024 5 20 IIBD C[C@@H](NCc1ccnc(N2CCN(C)CC2)c1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 480721986 WQYQCPFDJCXXMR-QGZVFWFLSA-N 437.569 4.321 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)N1CC[C@@H](N2CCCC2=O)C1 481280836 DDOSCRQEVFVGRJ-MRXNPFEDSA-N 445.928 4.236 5 20 IIBD Cc1ccc(-c2noc([C@H](C)N[C@H](C)CC(=O)Nc3ccc([N+](=O)[O-])cc3)n2)cc1F 483653219 NPENDWCJYZQKRU-KGLIPLIRSA-N 427.436 4.160 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccnn1Cc1ccc(C)cc1 485783947 IHHWTWBVGMQCNK-UHFFFAOYSA-N 426.498 4.139 5 20 IIBD CSc1cccc(C(=O)N[C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c1[N+](=O)[O-] 486239804 MMSUMXQUYWCNCW-OAHLLOKOSA-N 442.541 4.064 5 20 IIBD NC(=O)c1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1Cl 486383077 RRXUDSNBPJLLFQ-UHFFFAOYSA-N 425.828 4.178 5 20 IIBD CSc1cccc(C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)c1[N+](=O)[O-] 486498073 UXCROXFFTUWKAL-HNNXBMFYSA-N 437.315 4.293 5 20 IIBD O=C(NCCc1nc(C2CCCCC2)cs1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 488693648 GQSKBIUXVOYPBD-UHFFFAOYSA-N 425.514 4.257 5 20 IIBD C[C@@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(Cc2c(Cl)cccc2[N+](=O)[O-])C1=O 488724213 RYOWXOILWOQJEG-KRWDZBQOSA-N 427.766 4.234 5 20 IIBD C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCN1Cc1ccccc1 489907526 OBMAWTCFCLRMBT-NVXWUHKLSA-N 433.455 4.321 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2nc(CN3CCC(C)CC3)cs2)cc1SC 490187737 ORAKFPWZQFSQKH-UHFFFAOYSA-N 436.559 4.266 5 20 IIBD Cc1ccc([C@H](C)NC(=O)Nc2cccc(CS(=O)(=O)NC(C)(C)C)c2)cc1[N+](=O)[O-] 493078709 KYKALFMTMIILIN-HNNXBMFYSA-N 448.545 4.004 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)cc([N+](=O)[O-])c1 494529071 FURYQDFLGDQFTG-ZDUSSCGKSA-N 448.859 4.093 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 498492109 YFFQGTGKXAPFNY-MRXNPFEDSA-N 427.791 4.455 5 20 IIBD O=C(N[C@@H](c1cccc(F)c1)c1ccccn1)c1cc(Br)cc([N+](=O)[O-])c1 498903826 NSZBWRZJZADJGG-SFHVURJKSA-N 430.233 4.411 5 20 IIBD CCC[C@@H](Nc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 498944328 RJSYYMHLYSYDHD-OAHLLOKOSA-N 431.436 4.475 5 20 IIBD COCCn1cc(CNC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)cn1 499543763 JCNBKDJKOKVRJJ-UHFFFAOYSA-N 446.916 4.172 5 20 IIBD COc1cc(CCNC(=O)N[C@H](C)c2cc3ccccc3s2)c([N+](=O)[O-])cc1OC 504428655 FQRGVFPYNATXCA-CYBMUJFWSA-N 429.498 4.430 5 20 IIBD CN(C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CCOCC1 506013106 QMNPLYGWFSHRCO-UHFFFAOYSA-N 449.960 4.240 5 20 IIBD CN(C[C@H]1OCCc2ccccc21)C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 506318620 SFQBEAOSPZORJF-LJQANCHMSA-N 437.418 4.188 5 20 IIBD O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 506722490 VYEVZXOXGGVGHA-UHFFFAOYSA-N 449.463 4.434 5 20 IIBD O=[N+]([O-])c1ccccc1COc1c(Br)cc(CCO)cc1Br 506726882 PLCDEVHULQFJBW-UHFFFAOYSA-N 431.080 4.234 5 20 IIBD Cc1ccccc1-n1nc(C)c(CN(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1C 508491240 RMCAYJMGCOGKNM-UHFFFAOYSA-N 432.484 4.388 5 20 IIBD Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)N(C)C 508902880 XEAZQGNNSFIHHS-MBSDFSHPSA-N 440.544 4.147 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CCN(C(=O)CCc2ccccc2)CC1 509718972 JVEOSRNOSGIASE-UHFFFAOYSA-N 437.540 4.203 5 20 IIBD COC(=O)c1cc(C(=O)N(Cc2ccc(Br)cc2)C(C)C)cc([N+](=O)[O-])c1 510129440 VVOXDOJDINGHHO-UHFFFAOYSA-N 435.274 4.195 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)NCCNc1ccccc1[N+](=O)[O-] 514022339 LLWOXHUIAXMPEL-HNNXBMFYSA-N 425.514 4.499 5 20 IIBD C[C@@H]1CCCN(Cc2ccccc2CN[C@@H](c2ccc([N+](=O)[O-])cc2)c2nccn2C)C1 514095912 TWIAARIILHNJLO-DVECYGJZSA-N 433.556 4.439 5 20 IIBD COc1ccc(S(=O)(=O)N[C@@H](c2ccc(Cl)cc2)c2cccs2)cc1[N+](=O)[O-] 515752513 XZNQPNIPFZBSGM-SFHVURJKSA-N 438.914 4.386 5 20 IIBD CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 518643059 DDJALLWAJSJKFV-UHFFFAOYSA-N 446.504 4.158 5 20 IIBD CC(=O)N(c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1)[C@H]1C[C@@H]1C 519724368 JIHMZVNLAWNXIQ-VOJFVSQTSA-N 432.274 4.371 5 20 IIBD COc1ccccc1[C@H](NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 520880750 LVGWJFSXVNZXKW-XMMPIXPASA-N 446.507 4.225 5 20 IIBD COC1CCN(C(C)(C)CNCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 521842743 OJISSIYTNKJODV-UHFFFAOYSA-N 426.561 4.342 5 20 IIBD Cc1ccc(NCCCNC(=O)N(C)Cc2cc(Br)cs2)c([N+](=O)[O-])c1 524806036 FBGWXNSSFDNXKZ-UHFFFAOYSA-N 441.351 4.371 5 20 IIBD CN(c1ccccc1)c1ccc(CNC2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1[N+](=O)[O-] 532016290 ZZGGRHKPUORLGW-NOZRDPDXSA-N 438.572 4.220 5 20 IIBD O=C(CN(CCc1ccccn1)Cc1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1Cl 533047048 VIRUYZNWNVCLRB-UHFFFAOYSA-N 442.878 4.466 5 20 IIBD Cc1cc(C)cc(C2=CCN(C(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)CC2)c1 535815155 WQTQOFWSWBNJFH-UHFFFAOYSA-N 435.480 4.216 5 20 IIBD Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 536681619 ZXXMGRJODXZQBW-IBGZPJMESA-N 440.935 4.191 5 20 IIBD CCc1ccc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)n2)s1 537361971 ALLWFAZDTCJLKS-UHFFFAOYSA-N 444.538 4.431 5 20 IIBD COc1cc(CN2CC[C@@H]3[C@H](CCCN3C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 539899873 XYUZOULNYPOBOC-TZIWHRDSSA-N 425.529 4.099 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)CC1(c2ccc(Br)cc2)CC1 541318360 CUACDCQMWNHAJG-UHFFFAOYSA-N 448.317 4.239 5 20 IIBD CC[C@H](NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1nc(C(F)(F)F)cs1 541637129 NKEAXESHIMVBFW-NSHDSACASA-N 430.408 4.109 5 20 IIBD Cc1ccc(NC(=O)c2ccc(Nc3ccc4c(c3)OCC(=O)N4C)c([N+](=O)[O-])c2)cc1 542936713 TZDPYQVTOUPDFZ-UHFFFAOYSA-N 432.436 4.254 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1nc(-c2ccccc2)cs1 543520310 YIGBUIZUVNFMEX-CQSZACIVSA-N 426.498 4.406 5 20 IIBD O=C(N[C@H](Cc1nc(Cc2ccccc2[N+](=O)[O-])no1)c1ccccc1)c1ccccc1 544907602 YSRPWMKMGKRJIG-HXUWFJFHSA-N 428.448 4.282 5 20 IIBD Cc1ccc(-c2noc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2)c(N2CCOCC2)c1 547172505 GCDYNGYWXTVCAE-UHFFFAOYSA-N 434.374 4.476 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1cc(Cl)ccc1OC1CCCC1 549339967 OTDNCRCEVJSEGI-UHFFFAOYSA-N 445.903 4.209 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(NC2(Cc3ccc(F)cc3Cl)CCOCC2)s1 549644746 VHOYUQUGOZKGIT-UHFFFAOYSA-N 448.925 4.056 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 554842034 CXWWYHJZDSHNJG-XZOQPEGZSA-N 444.535 4.100 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cccc(Br)c2Cl)cc1[N+](=O)[O-] 555279522 KCZNMDCSNOXVPQ-JTQLQIEISA-N 440.681 4.135 5 20 IIBD C[C@@H](C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1)c1cccc([N+](=O)[O-])c1 558690394 DTDYNCYZNFFFGN-HUUCEWRRSA-N 432.318 4.104 5 20 IIBD CCOC(=O)c1cc(COC)cc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 561498817 SYCNJILHTGZAHK-UHFFFAOYSA-N 426.347 4.189 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC4(CCOCC4)C3)n2CCc2ccccc2)c1 565964515 MHKIWIKXDJJHCB-UHFFFAOYSA-N 433.512 4.103 5 20 IIBD COc1cc(Cc2noc(-c3ccc4[nH]c5ccccc5c(=O)c4c3)n2)ccc1[N+](=O)[O-] 569966054 ZWPREUKXUXTYIJ-UHFFFAOYSA-N 428.404 4.239 5 20 IIBD CCC(CC)(CNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)OC 574096175 IRNPMRYWGLTAJJ-UHFFFAOYSA-N 431.455 4.151 5 20 IIBD COc1cc(Cc2noc(-c3ccc(F)cc3Br)n2)c([N+](=O)[O-])c(OC)c1 576660509 LETIQWBRFWEQDU-UHFFFAOYSA-N 438.209 4.154 5 20 IIBD O=C(Nc1cc(C(F)(F)F)ccc1Br)c1cc2c(cc1[N+](=O)[O-])OCO2 577694265 RMEUZWUHIJHRDN-UHFFFAOYSA-N 433.136 4.357 5 20 IIBD COc1cc(C(=O)N2CCC[C@H]2c2ncon2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 578283335 JKCAKNBFYYCBQP-AWEZNQCLSA-N 444.831 4.409 5 20 IIBD COc1cc(OC)cc(Oc2cccc(CNC(=O)c3ccc(F)cc3[N+](=O)[O-])c2)c1 580225700 ZVJIABLEGCTWCJ-UHFFFAOYSA-N 426.400 4.473 5 20 IIBD CC(=O)N(c1ccc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@@H]1C[C@@H]1C 580944529 UKQZQBDXDBPSIO-SCLBCKFNSA-N 431.876 4.417 5 20 IIBD COc1cc2c(cc1Cl)CN(C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])CC2 582806896 KLYTVEVHBBGLIM-UHFFFAOYSA-N 442.802 4.065 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O 590537322 GHUXDVSAEREIBJ-WDYCEAGBSA-N 443.466 4.348 5 20 IIBD CCOc1cccc2cc([C@H](C)NC(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)oc12 603706065 RMMSDWGZIZYRMZ-NSHDSACASA-N 431.832 4.209 5 20 IIBD CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 603729770 PVUVHSUZIFPHJJ-UHFFFAOYSA-N 449.463 4.497 5 20 IIBD CC1(C)CC(=O)c2sc(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])nc2C1 603772335 VRCJTWHNBSUUMF-UHFFFAOYSA-N 443.403 4.400 5 20 IIBD CNc1ccc(C(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 603820542 PBIBSOOQEUWKME-UHFFFAOYSA-N 425.466 4.316 5 20 IIBD O=C(Nc1cccc(F)c1)c1cccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1 603995845 PBMKGWDKBAUAPD-UHFFFAOYSA-N 445.410 4.424 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N(C)Cc3nnc4ccccn34)cc2[N+](=O)[O-])cc1 604539654 YNYVSGMNEJZLFA-UHFFFAOYSA-N 433.493 4.369 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCc2ccc(OC(C)(C)C)cc2)ccc1[N+](=O)[O-] 608806453 JZTYOZZGCNRLPO-NRFANRHFSA-N 439.512 4.002 5 20 IIBD CCCCNC(=O)[C@@H]1CCCN(c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])C1 608973565 MLIXPHRKJUGIOM-LJQANCHMSA-N 438.528 4.288 5 20 IIBD COc1ccc(CNc2cnn(Cc3ccccn3)c2)cc1OCc1ccc([N+](=O)[O-])cc1 608982669 DUJPVOQVRBOAAV-UHFFFAOYSA-N 445.479 4.434 5 20 IIBD COc1ccc2c(c1)CCCN(C(=O)c1ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc1)C2 609131638 DKZBHRCPHHALSM-UHFFFAOYSA-N 434.496 4.054 5 20 IIBD Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)c12 609455002 LUTFNSLKCSKKIO-UHFFFAOYSA-N 436.399 4.054 5 20 IIBD Cc1cc(C(=O)CSCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c(C)n1C1CC1 609770663 HOWQGVKTYHTSDO-UHFFFAOYSA-N 429.498 4.262 5 20 IIBD CCOc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)ccc1OC(F)F 610040982 YTNYBMXROYINLU-UHFFFAOYSA-N 445.216 4.287 5 20 IIBD O=C(CC1CCCC1)NC1CCC(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 610047082 DSVPCZSOJGHQIH-UHFFFAOYSA-N 429.561 4.289 5 20 IIBD O=C(NCc1cccc(OCc2ccccn2)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 611208255 JBGMKQFBWPUAOE-UHFFFAOYSA-N 432.480 4.443 5 20 IIBD COc1cc(C(=O)N2CC([C@H]3CCOC3)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 619423018 PSBGOSJMBVWIRU-AWEZNQCLSA-N 432.860 4.158 5 20 IIBD COc1ccc(CC(=O)O[C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1[N+](=O)[O-] 727885328 CMBVTQKQDXMGDG-HOTGVXAUSA-N 436.464 4.108 5 20 IIBD CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 727990852 AVQSZNVGWHKDNZ-GXDWLZFVSA-N 446.554 4.223 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)C[C@H](c2ccccc2)C(F)(F)F)c([N+](=O)[O-])c1 728655467 VTDCPHDOLZLFIY-IUODEOHRSA-N 440.374 4.210 5 20 IIBD Cc1cc(C(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)c(N)c([N+](=O)[O-])c1 729535232 NOMRTOXLUHICGZ-UHFFFAOYSA-N 441.491 4.327 5 20 IIBD C[C@H](OC(=O)CCc1nc2cc(Cl)ccc2s1)C(=O)Nc1ccc([N+](=O)[O-])cc1 730609939 ZHSMGQMFMQWAEZ-NSHDSACASA-N 433.873 4.361 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCCCc1c(F)cccc1Cl 731300483 CHKYGKKRNIQJAT-UHFFFAOYSA-N 436.823 4.251 5 20 IIBD C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NCc1cc([N+](=O)[O-])cc2c1OCOC2 731847860 ZLLPHAOBTYWWHM-QRQCRPRQSA-N 435.521 4.025 5 20 IIBD Cc1ccc(COc2cccc(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)c2)cc1 732015295 WBYFSDKMRQTQED-UHFFFAOYSA-N 429.436 4.315 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCC[C@H](c3nnc(S)n3C)C2)cc1[N+](=O)[O-] 732075865 HTKBMLNFNYLRDA-HNNXBMFYSA-N 449.602 4.170 5 20 IIBD O=Cc1ccc(OCC(=O)OCC/C=C/c2ccc(Br)cc2)c([N+](=O)[O-])c1 735350256 LZWKHKWQAAEZCC-HNQUOIGGSA-N 434.242 4.195 5 20 IIBD CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)cc2)c1 737647155 KCLKUIIUFJBHIB-AUWJEWJLSA-N 438.461 4.443 5 20 IIBD C[C@@H](OC(=O)c1ccc(N2CC=CC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 741748686 NLSSMHKBZLNTEL-CYBMUJFWSA-N 449.385 4.174 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)Oc2ccc(N(C)S(=O)(=O)c3ccccc3F)cc2)c1 741884999 LHRUMAGJHMTAQN-UHFFFAOYSA-N 444.440 4.087 5 20 IIBD CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C 741936714 PXOZKHGDSYOMOG-RNODOKPDSA-N 429.904 4.495 5 20 IIBD CC1CCN(c2ccc(C(=O)N(C)c3ccc(Br)nc3)cc2[N+](=O)[O-])CC1 742810841 KJAQHVNALGKYGU-UHFFFAOYSA-N 433.306 4.265 5 20 IIBD O=C(c1ccn(-c2ccccc2Cl)n1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 742873492 PKNMXWSRIGSHGJ-UHFFFAOYSA-N 426.860 4.118 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 743071263 MPFAFUPSOGUAAW-DOMZBBRYSA-N 426.901 4.453 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)c1nc(Cc2ccc(Cl)cc2)no1 744627978 YUNXKEBPEIUFNE-LBPRGKRZSA-N 430.848 4.206 5 20 IIBD O=C(COC(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1)c1cccc([N+](=O)[O-])c1 745504533 WKUSFQBKJBJFKD-UHFFFAOYSA-N 447.378 4.491 5 20 IIBD COC(=O)c1sc2ccccc2c1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1Cl 750944380 SNXAUCPQSACRDJ-UHFFFAOYSA-N 427.843 4.017 5 20 IIBD CCCCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1OC 751089479 WMAKBXVODRJNFM-UHFFFAOYSA-N 437.290 4.475 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)C(=O)c1ccc2c(c1)CCC2 751691571 UFWXZHWQXNAHFI-SNVBAGLBSA-N 436.233 4.413 5 20 IIBD O=C(COC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2)Nc1cc([N+](=O)[O-])ccc1F 751710380 KVKBZJVXMWZFAJ-ORMMXULVSA-N 444.381 4.365 5 20 IIBD O=C(OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1ccc2ccc(Cl)cc2n1 752177688 CHNMHGNCAMLPLV-MRXNPFEDSA-N 439.855 4.258 5 20 IIBD CN(Cc1ccccc1)CC(C)(C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754198685 YRFNCAJIFUXRJY-UHFFFAOYSA-N 438.297 4.137 5 20 IIBD CC(=O)Nc1cccc(Nc2nn(CN3CCc4c3cccc4[N+](=O)[O-])c(=S)s2)c1 754776957 VMDZAACWTCTUJE-UHFFFAOYSA-N 442.526 4.304 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cccc(NC(=O)c2ccc3nc[nH]c3c2)c1 756995468 DUNRDBADDOOVPN-UHFFFAOYSA-N 449.854 4.307 5 20 IIBD Cc1ccc(CNC(=O)c2cccc(CNC(=O)c3cc(F)cc(C)c3[N+](=O)[O-])c2)cc1 758415235 GQTYLRCAOFYMGX-UHFFFAOYSA-N 435.455 4.211 5 20 IIBD C[C@@H](C[C@H]1CCOC1)NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 759964652 IRTNQSDOUURBCV-UONOGXRCSA-N 431.876 4.045 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1nn(-c2ccccc2)c2c1CCC2 760485092 XYXSURYREZOPHI-UHFFFAOYSA-N 430.420 4.281 5 20 IIBD Cc1nn(C)c(C)c1[C@@H](OC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F 760780359 JIXYPOPZNZMBRI-MEBBXXQBSA-N 435.786 4.213 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CCO1 761335577 AACPQICAIJVTPE-KKSFZXQISA-N 435.524 4.142 5 20 IIBD Cc1ccc(-c2noc(-c3ccc(CS(=O)(=O)c4ccccc4)o3)n2)cc1[N+](=O)[O-] 761639512 VAPGCTRILIILOM-UHFFFAOYSA-N 425.422 4.187 5 20 IIBD Cc1cc(Cc2noc(Cn3c(-c4ccc(F)cc4)c(C)sc3=O)n2)ccc1[N+](=O)[O-] 762299204 PXONFTAGRWMPQV-UHFFFAOYSA-N 440.456 4.263 5 20 IIBD CCc1ccc(N2C[C@H](c3nc(Cc4c[nH]c5ccc([N+](=O)[O-])cc45)no3)CC2=O)cc1 762309859 QXZHQHVQISVIKK-MRXNPFEDSA-N 431.452 4.133 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)N1CCC(C2OCCO2)CC1 764103040 PUHILSBLIGYBNL-UHFFFAOYSA-N 445.903 4.085 5 20 IIBD CCCN(C(=O)c1ccccc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(C)C 764300524 KVSHHKNDZYXTGQ-UHFFFAOYSA-N 435.484 4.293 5 20 IIBD O=C(Nc1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1)c1ccccc1 766473061 HWLRWMWCNZZQOT-UHFFFAOYSA-N 449.444 4.163 5 20 IIBD CCn1c(-c2ccccc2)c(C(=O)Cn2cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c2)c2ccccc21 768464129 XATUDNDEAYVMAG-UHFFFAOYSA-N 446.419 4.189 5 20 IIBD Cn1ccnc1[C@H](O)C1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 769432666 IVDISRLDQNEHRQ-JOCHJYFZSA-N 440.475 4.205 5 20 IIBD CSc1cccc(NC(=O)[C@H](C)OC(=O)c2sc(Br)cc2[N+](=O)[O-])c1 773605999 NZYCUZMZPQLTHW-QMMMGPOBSA-N 445.316 4.325 5 20 IIBD CC(C)(C)OC(=O)N1CCc2ncc(NC(=O)CSc3ccccc3[N+](=O)[O-])cc2C1 774017187 KRTOQBOKEZUQTN-UHFFFAOYSA-N 444.513 4.014 5 20 IIBD C[C@H](CC(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)C(=O)c1ccc(Cl)cc1 777316118 MWIMYNBKKWKNPS-OAHLLOKOSA-N 445.903 4.312 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 777985146 SJYJNZKFMRFSDP-UHFFFAOYSA-N 441.465 4.169 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1nc(-c2cccc(Cl)c2)ns1 781631552 AMHCTZGKOJCTBS-UHFFFAOYSA-N 433.833 4.246 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(COC(=O)c2cnc3onc(C)c3c2)cc1OC 781658075 HVMKWKBKKQEUGH-GFCCVEGCSA-N 429.429 4.230 5 20 IIBD Cc1cccc(O[C@@H]2CCCC[C@H]2NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 783337938 KHTZILZHHDCZSB-IEBWSBKVSA-N 431.876 4.002 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)C[C@@H]21 784028058 BESBZMISNURZAQ-JRGCBEDISA-N 441.532 4.041 5 20 IIBD COc1ccc(C(=O)CCCCCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 789144338 OGLZGQWTCLINOE-UHFFFAOYSA-N 439.512 4.085 5 20 IIBD CCc1ccc(-c2noc([C@H](C)NC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])n2)cc1 790558481 JBFHVOOQGQLIPQ-NSHDSACASA-N 432.839 4.420 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c32)c1[N+](=O)[O-] 790638429 MRMILRPHMRYEQF-UHFFFAOYSA-N 447.513 4.310 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(OCCNC(=O)OC(C)(C)C)cc2)c1F 790939437 OTYQUOQUDWEQFP-UHFFFAOYSA-N 433.436 4.198 5 20 IIBD C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 791030793 XHVDTSHKKZZQFH-GFCCVEGCSA-N 448.273 4.147 5 20 IIBD CN(C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N 791333493 NPYGJODFZDNVSV-UHFFFAOYSA-N 443.306 4.217 5 20 IIBD CCc1c(NC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)cnn1-c1cccc(Cl)c1 791583238 AQRYWFONIZGOEJ-UHFFFAOYSA-N 428.861 4.253 5 20 IIBD Cc1cc(OCC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)c(Cl)cc1[N+](=O)[O-] 795244885 FNJNKVCAUABPJQ-HUUCEWRRSA-N 433.892 4.188 5 20 IIBD CN(Cc1ccc(Br)s1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F 798224093 BVYZEKYNNBHTSX-UHFFFAOYSA-N 443.703 4.032 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)c1 804314195 JDADMDNWSOPIBK-HXUWFJFHSA-N 425.485 4.168 5 20 IIBD C[C@@H](OC(=O)c1ccccc1OC1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 805724351 GCWRLBQMGKXTLD-LLVKDONJSA-N 438.358 4.339 5 20 IIBD O=C1OCc2c(NC(=O)C3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)cccc21 808478573 RCCOOUQAHAJGKP-UHFFFAOYSA-N 449.385 4.139 5 20 IIBD COc1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1Br 809300174 ZMUFHAFSRYIMPS-UHFFFAOYSA-N 431.036 4.348 5 20 IIBD C[C@@H](NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)c1cccc(-n2cccn2)c1 809396086 VEDAKAAUFISTBS-LLVKDONJSA-N 441.296 4.127 5 20 IIBD CN(C(=O)Nc1cccc([N+](=O)[O-])c1Cl)[C@H](CO)c1cccc(Br)c1 809918983 CXKWWPJYOTWAQK-CQSZACIVSA-N 428.670 4.208 5 20 IIBD O=[N+]([O-])c1cc(Cl)c(OS(=O)(=O)c2cnc3onc(-c4ccccc4)c3c2)cc1F 810080244 YTNBOMPIIOFACE-UHFFFAOYSA-N 449.803 4.358 5 20 IIBD CCS(=O)(=O)c1ccc(CCC(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 811083373 KLLIHTDGPWYIDH-UHFFFAOYSA-N 446.308 4.371 5 20 IIBD O=C(N[C@H]1COc2ccccc2[C@@H]1O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 811581399 PGOREDKISFEWBO-RXVVDRJESA-N 428.510 4.102 5 20 IIBD CCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 812830415 YJXNNWNZHLKPAA-UHFFFAOYSA-N 426.256 4.011 5 20 IIBD Cc1sc2nc([C@@H](C)OC(=O)c3cc([N+](=O)[O-])c(N(C)C)cc3F)nc(O)c2c1C 814484470 ZQSQSROFEDWTHJ-SECBINFHSA-N 434.449 4.045 5 20 IIBD O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 816888422 MTJRPTDAJNOXHH-UHFFFAOYSA-N 442.686 4.153 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 820002495 RVLCMJBXACUWQD-UHFFFAOYSA-N 447.494 4.108 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)/C=C\c3cccs3)cc2)cc1[N+](=O)[O-] 913461704 NMZWIXWIGOJQOC-LUAWRHEFSA-N 443.506 4.417 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cc2ccc(C(C)C)cc2[nH]1 914668196 DFWONVFNOKMHOR-ZDUSSCGKSA-N 425.441 4.392 5 20 IIBD C[C@@H](OC(=O)c1ccc(N2CCCCCC2)nc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 914680931 ZPHWLFWKUNOIKL-OAHLLOKOSA-N 437.456 4.338 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)COc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 914909103 BWFLNSRSNRRFME-NWDGAFQWSA-N 441.267 4.090 5 20 IIBD O=C(CCOc1cccc([N+](=O)[O-])c1)OCC(=O)N1c2ccccc2CCc2ccccc21 915448272 NEIWCYIKYGXCSN-UHFFFAOYSA-N 446.459 4.370 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(OC(=O)c2cc(Cl)ccc2Cl)c([N+](=O)[O-])c1 916958810 NMBCEOLVJNJGAC-UHFFFAOYSA-N 447.296 4.151 5 20 IIBD C[C@@H](OC(=O)Cc1csc(NC(=O)Cc2cccs2)n1)c1cccc([N+](=O)[O-])c1 920155969 AVIPDNUKYJHVHZ-GFCCVEGCSA-N 431.495 4.141 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CSc3ccc(S(=O)(=O)C(F)(F)F)cc3)n2)c1 1116191479 KJGLQSJNDSFPCA-UHFFFAOYSA-N 445.400 4.231 5 20 IIBD COC(=O)c1c(Br)ccc(NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c1C 1116772995 JNUQOTVYTTVLFP-UHFFFAOYSA-N 434.246 4.000 5 20 IIBD O=C(Nc1ccc(SC(F)(F)F)cc1)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 1252656001 CTORDBYFJVKRBZ-UHFFFAOYSA-N 445.331 4.138 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCC(=O)c2ccc(Br)s2)cc1SC 1318482178 ZYMRLVVXORFRIZ-UHFFFAOYSA-N 446.300 4.189 5 20 IIBD Cc1cc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])ccc1N1CCCC1=O 1318766770 WPPJDSMJHFFAQW-UHFFFAOYSA-N 444.296 4.138 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCC[C@H](C(=O)NC4CC4)C3)cc2[N+](=O)[O-])cc1 1320843689 UFKZADUVAKUSDZ-KRWDZBQOSA-N 439.537 4.185 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CC[C@@H]4OCCC[C@H]4C3)n2CCc2ccccc2)c1 1321310893 WSXJHLAYLAYBSP-UNMCSNQZSA-N 433.512 4.101 5 20 IIBD O=c1c2ccccc2c(-c2nnc(-c3ccc([N+](=O)[O-])s3)o2)nn1Cc1ccccc1 1322638868 HLUFJHBUPKNXCX-UHFFFAOYSA-N 431.433 4.132 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccc3c(c1)CN(C(=O)OC(C)(C)C)CC3)CC2 1343166722 ZRWUVCNBUNQQTR-UHFFFAOYSA-N 437.496 4.399 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)NC1(c2ccc(NC(=O)c3cncs3)cc2)CCC1 1787530607 XHWJXGFLCOITFW-SOFGYWHQSA-N 438.465 4.105 5 20 IIBD O=C(CCc1cccc(O)c1)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1 1790188442 QZJCJLZZLGAMKM-UHFFFAOYSA-N 448.479 4.009 5 20 IIBD Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(O)cc([N+](=O)[O-])c4)cc3)CCC2)o1 1790755669 OYBLDKRHZXSNME-UHFFFAOYSA-N 435.436 4.263 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)[C@H](C)n4cccc4)cc3)CCC2)ncc1[N+](=O)[O-] 1791787464 QMIRYGIKBLWDGI-KRWDZBQOSA-N 447.495 4.109 5 20 IIBD Cc1csc(C(=O)N2CCC3(CCCN(C(=O)Cc4cccc([N+](=O)[O-])c4)C3)CC2)c1 1804752277 AUXUBIKBOXOMDU-UHFFFAOYSA-N 441.553 4.052 5 20 IIBD C[C@H]1CC[C@H](C(=O)N2CCC3(CCCN(C(=O)Cc4cccc([N+](=O)[O-])c4)C3)CC2)CC1 1804753050 YKEIABDPXKQDBX-XUTJKUGGSA-N 441.572 4.195 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CC(C)C)[nH]n1 1821283391 OHODESPMRGLBLV-KRWDZBQOSA-N 431.468 4.117 5 20 IIBD CC(C)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cc(F)ccc2[N+](=O)[O-])CC1 1831384666 GSONOZZIWPKYIH-OAQYLSRUSA-N 447.551 4.332 5 20 IIBD CC[C@@H](C)[C@H](C(=O)N1CCCC12CN(C(=O)Cc1cccc([N+](=O)[O-])c1)C2)c1ccccc1 1842670898 DHJCFMUINMZVLJ-DVECYGJZSA-N 449.551 4.171 5 20 IIBD COc1cc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)ccc1OC(C)C 26941605 RJMGBTCDDITWGH-INIZCTEOSA-N 427.501 4.482 5 20 IIBD O=C(COc1ccc2oc3ccccc3c2c1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 9785340 FKJGIJVRWVCBFS-UHFFFAOYSA-N 435.388 4.483 5 20 IIBD C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cc2c(cc1Br)OCCO2 108227138 BGWBJOOQSAUPJP-SECBINFHSA-N 441.665 4.273 5 20 IIBD O=C(Nc1ccc(Cl)c(F)c1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 58371426 BQVZCWIWLGVGHA-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD CNC(=O)c1cc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)ccc1Cl 108121064 GVPMAMYLDJMQHS-UHFFFAOYSA-N 430.892 4.096 5 20 IIBD Nc1c(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc(F)cc1[N+](=O)[O-] 59362933 XBEPQRJTHFLLLG-UHFFFAOYSA-N 449.417 4.238 5 20 IIBD Cc1nc(-c2ccccc2NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)no1 107518171 GTJWLKKPYSMLEQ-UHFFFAOYSA-N 432.440 4.067 5 20 IIBD O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 21905981 IZZKOWGZHGSFFU-QHCPKHFHSA-N 431.492 4.145 5 20 IIBD CCN(Cc1cccs1)C(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 64858370 YXWDYLPRGOWXAW-UHFFFAOYSA-N 445.522 4.119 5 20 IIBD CSc1cccc(NC(=O)[C@@H](C)OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 28774615 PIHGTANFGNKMOI-MRXNPFEDSA-N 446.528 4.447 5 20 IIBD O=C(NCCc1nc(C2CCCCC2)cs1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 303425773 DQBHJTYJQSNOLB-UHFFFAOYSA-N 425.514 4.257 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc(Br)cn3)cc2[N+](=O)[O-])C1 301995298 DNLAYECSIULVLL-STQMWFEESA-N 433.306 4.487 5 20 IIBD O=C(Nc1ccc(Sc2nncs2)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 117353107 VGSXERZDSRIMTN-UHFFFAOYSA-N 441.538 4.453 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)CCCn1cccn1 64870377 FNMIIKKWQUIICQ-UHFFFAOYSA-N 428.470 4.115 5 20 IIBD CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 301242208 SWJYMHJARGFGCP-QGZVFWFLSA-N 445.903 4.276 5 20 IIBD CNC(=O)c1ccc(N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c([N+](=O)[O-])c1 301205180 YOERVSBVVMNHDB-OAHLLOKOSA-N 441.875 4.042 5 20 IIBD CC(C)n1nc(-c2ccccc2)cc1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 506864231 OLOUJOWJHOTCOT-UHFFFAOYSA-N 434.500 4.393 5 20 IIBD CS[C@H](C)CN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 507878318 GLPDRQBENJEHCS-PXAZEXFGSA-N 438.347 4.378 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@H]1c1cccc(Br)c1 503488868 ACJFRFLVVYCNRH-KRWDZBQOSA-N 446.301 4.492 5 20 IIBD CCC(C)(C)[C@H]1CCc2nc(NC(=O)C(=O)NCc3cccc([N+](=O)[O-])c3C)sc2C1 500471307 KMUVRDDQFNPZPZ-HNNXBMFYSA-N 444.557 4.156 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNc1ccc(CCn2nnc(-c3ccccc3)n2)cc1 504218376 ITBBKCSEBIJTOF-UHFFFAOYSA-N 430.468 4.112 5 20 IIBD Cc1cc(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])ccc1I 512004087 CBHALXBWFBFMEQ-UHFFFAOYSA-N 438.265 4.102 5 20 IIBD O=C(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)Nc1cc(C2CC2)nn1-c1ccccc1 517797252 YMOPPNZESLCFFD-UHFFFAOYSA-N 428.452 4.160 5 20 IIBD O=C(NCc1ccnc(OCc2ccccc2)c1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 510855564 XNBASAVUBDVDSH-UHFFFAOYSA-N 444.394 4.492 5 20 IIBD COC[C@@H](C)n1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1-c1ccccc1 512385046 ABUOGBYHGNANIF-OAHLLOKOSA-N 441.513 4.100 5 20 IIBD Cn1ccnc1[C@@H](NCc1ccc(NC(=O)c2ccco2)cc1)c1ccc([N+](=O)[O-])cc1 513707742 IGVFLFANEWSQGB-NRFANRHFSA-N 431.452 4.053 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@@H](c3cccs3)N(C)C)cc2[N+](=O)[O-])C1 512498183 AZHMBOXIVBKVAS-YRNRMSPPSA-N 430.574 4.171 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccc(F)c(Cl)c2)cs1 511625363 FSDKGTLPKJBUIN-UHFFFAOYSA-N 448.863 4.269 5 20 IIBD CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccc(OCC(F)(F)F)cc1 511139256 QATREGUAGXPDFA-UHFFFAOYSA-N 431.798 4.260 5 20 IIBD O=C(Nc1cccc(-c2ccc3c(c2)OCCO3)n1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 517458186 LDGWOHBJJFCVAF-UHFFFAOYSA-N 446.463 4.281 5 20 IIBD CCN(C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H](Cc1ccc(F)cc1)C(C)C 437108700 FPCQXFQFMBSGQB-LJQANCHMSA-N 449.910 4.233 5 20 IIBD COc1ccc(CNC(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)cc1[N+](=O)[O-] 432076319 CROBIKTUIOOSHX-MRXNPFEDSA-N 448.317 4.140 5 20 IIBD O=C(Nc1nnc(Cc2ccccc2F)s1)c1ccc([N+](=O)[O-])cc1Br 523500624 LBFBYKQESKELAU-UHFFFAOYSA-N 437.250 4.191 5 20 IIBD CN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C1CCN(Cc2ccccc2)CC1 522582745 PLEDMXVHKRXLEO-UHFFFAOYSA-N 431.920 4.140 5 20 IIBD Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 430618115 RDLXJQXMIIWXPG-OAHLLOKOSA-N 436.281 4.204 5 20 IIBD C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 526020153 XEYFBXICXMNFRO-HNNXBMFYSA-N 426.450 4.188 5 20 IIBD O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)c1cc2cc([N+](=O)[O-])ccc2s1 609453931 MKYLDOOMUQLMGR-UHFFFAOYSA-N 428.857 4.485 5 20 IIBD Cc1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1C(=O)NC(C)C 609409020 ILWKLJSEHMYYDA-UHFFFAOYSA-N 439.390 4.235 5 20 IIBD COc1ccc(CCc2nc3ccccc3n2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 438818697 JZFXLEMBGDFCTP-HXUWFJFHSA-N 447.491 4.178 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CC[C@@H](Nc2ccccc2)C1 609876166 XFUZPTUNJHXVMB-CQSZACIVSA-N 446.294 4.414 5 20 IIBD Cc1cnn(-c2ccc(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])cc2F)c1 609864394 DJYZXDPMLMYTAW-UHFFFAOYSA-N 438.337 4.421 5 20 IIBD COc1cc(NC(=O)c2csc([N+](=O)[O-])c2)c(C(=O)N2[C@@H](C)CCC[C@H]2C)cc1OC 603755811 BRNAWTVGPIZWOB-BETUJISGSA-N 447.513 4.329 5 20 IIBD C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 609837763 FQAIWINEZPGPIA-YLJYHZDGSA-N 432.480 4.137 5 20 IIBD O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N(CCO)Cc1ccccc1 603550102 SQBOHJIXUTYVGF-UHFFFAOYSA-N 439.899 4.495 5 20 IIBD CN1CCN(C[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)c2ccccc2)CC1 609042237 QAZMDMJKOLFMTO-JOCHJYFZSA-N 436.581 4.402 5 20 IIBD COCCN(C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])[C@H]1CCCSC1 448531719 JPJRGPXYFZIFQS-SFHVURJKSA-N 430.526 4.158 5 20 IIBD O=C(COCc1nc2ccccc2s1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 603742300 SSMHFWRMTSITLH-UHFFFAOYSA-N 439.415 4.312 5 20 IIBD O=C(NC1(c2cccc(Br)c2)CCOCC1)c1ccc(Cl)cc1[N+](=O)[O-] 520105005 DRZSUYKGKMPCQR-UHFFFAOYSA-N 439.693 4.446 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)Nc2nc3ccccc3[nH]2)cc1[N+](=O)[O-] 603602631 UEDFRQWCPDPHMS-UHFFFAOYSA-N 429.436 4.020 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc3nc(-c4cccc(F)c4)[nH]c3c2)cc1[N+](=O)[O-] 604379318 BWYFXVNCPPRFRR-UHFFFAOYSA-N 442.428 4.087 5 20 IIBD C[C@@](O)(CNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)C1CC1 440559827 LRDJFAIQHOGBIE-HXUWFJFHSA-N 429.523 4.247 5 20 IIBD COc1ccc(CC(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1[N+](=O)[O-] 609009760 ICLSZMDZWAWGIK-UHFFFAOYSA-N 442.475 4.315 5 20 IIBD Cc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 447003306 RAABAYPTHWMUAE-UHFFFAOYSA-N 439.209 4.485 5 20 IIBD COc1cccc(C[C@H]2CCCN2CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1 603909421 VKOMMNGTXQQKJD-OAHLLOKOSA-N 448.317 4.012 5 20 IIBD CC(C)[C@H](NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1 609616260 WOHQTEADUVGXAN-QHCPKHFHSA-N 447.539 4.184 5 20 IIBD Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 609838280 XKYRCYMWNUCBPI-LBPRGKRZSA-N 445.838 4.072 5 20 IIBD COc1c(F)cc(S(=O)(=O)Nc2ccc(Oc3ccncc3)c(C)c2)cc1[N+](=O)[O-] 447263972 KNDUCTSZSWXEFJ-UHFFFAOYSA-N 433.417 4.039 5 20 IIBD O=C(Nc1ccccc1-c1ccccc1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 442679278 FRBGCJKXWPTQJQ-UHFFFAOYSA-N 445.475 4.270 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Nc2cccc3c2CN(c2nccs2)C3)c([N+](=O)[O-])c1 535399909 KMVQCFRKMDHTSD-CYBMUJFWSA-N 439.497 4.019 5 20 IIBD CC(C)CN1CCC[C@@H](CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 448426880 VMZHUCDFSKCOLP-MOPGFXCFSA-N 439.560 4.261 5 20 IIBD O=C(CSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)NCCc1ccc(Cl)cc1 536303028 UNGUNSTVWZIATN-UHFFFAOYSA-N 431.901 4.495 5 20 IIBD O=C(C[C@@H]1CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1cccs1 537558724 MVNALKDEKJPXTJ-NSHDSACASA-N 449.337 4.389 5 20 IIBD COC(=O)c1cc(NC(=O)N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)c(C)c([N+](=O)[O-])c1 617019882 FESMFRUXQOEFDF-UWJYYQICSA-N 441.484 4.321 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccnc1Oc1cccc(C)c1C 619467166 QXXNAFRTSXQVFF-UHFFFAOYSA-N 429.454 4.208 5 20 IIBD CC(=O)c1cccc(OCc2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)c1 546449239 IJEXKLRRHDYADC-UHFFFAOYSA-N 432.230 4.113 5 20 IIBD COc1cc(CNCc2cc(Cl)cc3c2OCC3)c([N+](=O)[O-])cc1OCC(F)(F)F 542691147 QKXNOOBVPCFRPT-UHFFFAOYSA-N 446.809 4.423 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1c(C)nc2c(c(O)nn2C)c1C 540769643 AZJSHJRJGQFSAF-UHFFFAOYSA-N 443.529 4.021 5 20 IIBD C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 463131296 YJGMEOXYOOJFMA-SNVBAGLBSA-N 434.221 4.451 5 20 IIBD Cc1ccc(S(=O)(=O)C2(c3nc(Cc4ccc([N+](=O)[O-])c(C)c4)no3)CCCC2)cc1 547263878 RTBLJYKQPRYZJY-UHFFFAOYSA-N 441.509 4.429 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1nccnc1-c1nc2ccccc2s1 547366671 QXDKYRQWQRVFPB-UHFFFAOYSA-N 425.857 4.245 5 20 IIBD CC[C@H]1CN(c2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2[N+](=O)[O-])CCS1 463030090 RAOKZYYDMJXMCW-KRWDZBQOSA-N 435.571 4.142 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)NC2(c3noc([C@H]4CCCO4)n3)CCCCCC2)c1 554963194 LYGHTMQMYSMBDC-GOSISDBHSA-N 444.488 4.208 5 20 IIBD O=[N+]([O-])c1ccc(CN(c2nnc([C@@H]3CCCO3)n2Cc2cccs2)C2CC2)cc1 461484014 VNNBPTZHMOJUBM-IBGZPJMESA-N 425.514 4.317 5 20 IIBD COc1ccccc1O[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 557692303 MHGXTRQSPKXGLA-AWEZNQCLSA-N 435.274 4.050 5 20 IIBD COc1ccc2c(c1)CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H](c1ccccc1)C2 468861097 GFKKBONLWKLKLW-HSZRJFAPSA-N 447.491 4.350 5 20 IIBD O=C(CN1CCC[C@H]1c1ccc(Br)cc1)N1CCc2cc([N+](=O)[O-])ccc21 559365758 YVXDGVOHNJRNPJ-SFHVURJKSA-N 430.302 4.084 5 20 IIBD O=C(Nc1ccnc(N2CCc3ccccc3C2)c1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 553259282 HPPQTJKQQFPBJX-UHFFFAOYSA-N 441.447 4.059 5 20 IIBD CCOC(=O)c1cc(COC)cc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])c1 553472543 XRUJVZJMNRKMLH-UHFFFAOYSA-N 435.436 4.232 5 20 IIBD CSc1cccc(F)c1C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 801699893 PNPWKRHUURPRAL-UHFFFAOYSA-N 432.214 4.313 5 20 IIBD C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F 475640973 SLGTVTOOYBGCAE-PIGZYNQJSA-N 445.825 4.307 5 20 IIBD COc1ccc(CNC(=O)c2cc(Br)ccc2Br)cc1[N+](=O)[O-] 475615185 ZCLGPJSYBZCPTA-UHFFFAOYSA-N 444.079 4.058 5 20 IIBD CC(C)CNC(=O)c1ccc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1Cl 479816049 XANRXNMSQXYQHU-UHFFFAOYSA-N 441.875 4.072 5 20 IIBD COc1cc(NC2CCN(C(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)CC2)cc(OC)c1 475641689 SHGUXANBJFZMKQ-UHFFFAOYSA-N 428.489 4.337 5 20 IIBD Cc1c(Br)cc(C(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] 807793138 UNXCFZLWMQKSER-OAHLLOKOSA-N 447.207 4.148 5 20 IIBD O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 801247431 IGBSPRRVQASDFC-UHFFFAOYSA-N 444.793 4.271 5 20 IIBD Cc1nn(CCC(=O)N(C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)c(C)c1[N+](=O)[O-] 470730722 XNRHKCWHLJKDRU-LLVKDONJSA-N 429.304 4.031 5 20 IIBD CC(=O)N[C@@H](C)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 478693572 PFAMRGXBKLAMDS-HNNXBMFYSA-N 433.574 4.254 5 20 IIBD CCc1c(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cnn1-c1ccccc1Cl 564493900 BVSYNGILXNAMNB-UHFFFAOYSA-N 441.875 4.423 5 20 IIBD COc1cc(C(=O)N(C)[C@@H](c2ccc(Cl)cc2)c2cnccn2)cc([N+](=O)[O-])c1C 478496848 HCLYRNDOPACEHD-FQEVSTJZSA-N 426.860 4.217 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CCNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C 475570829 DFEBZIGTIAKYNV-UHFFFAOYSA-N 449.305 4.433 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N2C(=O)c3ccccc3C2=O)cc1 479436645 FQUPBLCXJGSMJN-UHFFFAOYSA-N 449.850 4.021 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC[C@H](OCc2ccccc2F)C1 470693446 LVYFDYOJZGKXQP-FQEVSTJZSA-N 441.503 4.158 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N(Cc1ccc2c(c1)OCO2)c1ccc(F)cc1 801888028 HPILTQLEQGESEZ-UHFFFAOYSA-N 427.363 4.031 5 20 IIBD CSc1ccc(NC(=O)COC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 801277448 WERHHVXTKUCWIC-UHFFFAOYSA-N 443.525 4.349 5 20 IIBD C[C@@H](OC(=O)[C@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1)c1ccccc1[N+](=O)[O-] 805649877 TUHKURZMPGHCIC-XIKOKIGWSA-N 432.395 4.389 5 20 IIBD CCCNC(=O)[C@H]1CCCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 561788494 ZAKLTGSADJZIQN-INIZCTEOSA-N 426.473 4.157 5 20 IIBD Cc1cccc(CCCNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)n1 560717944 YJQNCHHPZROMBK-UHFFFAOYSA-N 434.283 4.153 5 20 IIBD O=C(O)[C@H]1CC12CCN(C(=O)c1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)CC2 485455592 ZXYMAVMSLHURAB-MRXNPFEDSA-N 430.844 4.367 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1csc(-c2ccccc2)n1 481131692 AHJVTXVPMGCFQQ-UHFFFAOYSA-N 429.523 4.387 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2nc([C@H]3C[C@H]4CC[C@H]3C4)cs2)cc1OC 482379756 SVKKOAMGKMMYBT-IHRRRGAJSA-N 447.513 4.241 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCc1cccc(OCC(F)(F)F)c1 488400940 FLUIIUBIUMNBLK-UHFFFAOYSA-N 431.798 4.231 5 20 IIBD COc1cc(C(=O)Nc2cc(Br)cc(OC(C)C)c2)c([N+](=O)[O-])cc1OC 487456553 UDLIGVMKPVDQKT-UHFFFAOYSA-N 439.262 4.414 5 20 IIBD COC(=O)c1cc(NC(=O)N(C)Cc2csc(Br)c2)c(C)c([N+](=O)[O-])c1 486861374 YEBSTKWHYRYIDL-UHFFFAOYSA-N 442.291 4.178 5 20 IIBD CC(=O)N(c1ccc(C)cc1)c1nc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cs1 488756469 VQNRPXOHRMTKEM-UHFFFAOYSA-N 440.529 4.078 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(COc2ccccc2)CC1 480724281 MYUCABVEJZNLIR-UHFFFAOYSA-N 430.526 4.265 5 20 IIBD CC1(C)CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@](C)(C(F)(F)F)O1 818182819 OMSQRTFLICMCMH-CQSZACIVSA-N 443.191 4.068 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](C2CCN(C(=S)Nc3ccc([N+](=O)[O-])cc3)CC2)C1 811714231 IPVJJJVQPRSRMZ-INIZCTEOSA-N 434.562 4.261 5 20 IIBD CCNC(=O)Nc1ccc(C)c(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c1 572991532 IAEAYSIMSAVENC-UHFFFAOYSA-N 435.278 4.368 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC(c2nc(Cc3cncs3)no2)CC1 482729852 BCGRMRIJEKLFBR-UHFFFAOYSA-N 439.419 4.428 5 20 IIBD CSc1cccc(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)c1[N+](=O)[O-] 485521073 UMVVWHUOSOFGNZ-HNNXBMFYSA-N 427.448 4.368 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N[C@H](C)C(=O)Nc2ccccc2)c([N+](=O)[O-])c1 480507938 DGTDMDUULKBENN-OAHLLOKOSA-N 447.447 4.052 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc2c(c1)CCCC(=O)N2 484011285 ONBJRHUGWKGYNE-UHFFFAOYSA-N 436.390 4.329 5 20 IIBD O=C1[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCCN1c1ccccc1Cl 487323553 NRHQCHZJQLRVPE-IBGZPJMESA-N 442.903 4.118 5 20 IIBD CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)c1cccc(SC)c1[N+](=O)[O-])C1CC1 486262967 XBZRRYFPYIAITO-GOSISDBHSA-N 428.510 4.096 5 20 IIBD CC(C)(C(=O)O)c1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 486304954 OQSQIBZSBRBCCK-UHFFFAOYSA-N 426.347 4.150 5 20 IIBD C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1nc(C(F)(F)F)cs1 486830405 YQYXGTCVNDHMEB-ZCFIWIBFSA-N 449.354 4.128 5 20 IIBD COc1ccc(OC(=O)[C@H]2CSCN2C(=O)c2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 727985034 WYXKFMVATMRZEP-GOSISDBHSA-N 444.509 4.022 5 20 IIBD Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 494048204 MFHRKKPYMZMPGS-UHFFFAOYSA-N 427.258 4.054 5 20 IIBD COc1ccc(NC(=O)C(=O)N(CC(C)C)[C@H](C)c2ccccc2Cl)cc1[N+](=O)[O-] 579504104 BEXVWOLWHCVTEM-CQSZACIVSA-N 433.892 4.441 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cc(Br)ccc2O)c1Cl 821184382 BAFLKRABMPQZJD-UHFFFAOYSA-N 442.074 4.171 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCC2CCSCC2)cc1[N+](=O)[O-] 499320510 LABNHXDIMLLSLP-UHFFFAOYSA-N 430.551 4.421 5 20 IIBD Cc1cc(C)c(S(=O)(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc1[N+](=O)[O-] 493265250 XVIMVPJNSMXBQB-KRWDZBQOSA-N 442.497 4.178 5 20 IIBD C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 498168281 ZIWWPNGKGJZDAK-GTNSWQLSSA-N 426.803 4.452 5 20 IIBD Cc1ccccc1-c1nc(C)c(-c2nc(CC(=O)NCc3ccc([N+](=O)[O-])cc3)no2)s1 583898204 HXLJKYZRFBKOLR-UHFFFAOYSA-N 449.492 4.244 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2cnc(Cc3ccc(F)cc3)s2)cccc1[N+](=O)[O-] 727219512 YYZNKBSTOLJXDQ-ZDUSSCGKSA-N 443.456 4.274 5 20 IIBD C[C@H](Cc1ccc(Br)cc1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 499136880 YYESYIVSSYZFKL-GFCCVEGCSA-N 435.274 4.336 5 20 IIBD C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)OCc1cc([N+](=O)[O-])ccc1Cl 734975057 LPKDWKRKYBXHTB-VIFPVBQESA-N 431.659 4.417 5 20 IIBD CCOc1ccc(-c2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cs2)cc1OC 498847968 AGSKHTPHIMYWLN-UHFFFAOYSA-N 434.495 4.100 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2c2nc(-c3ccnc(C(F)(F)F)c3)no2)ccc1[N+](=O)[O-] 581574826 OQEYVRWKYNCMOM-HNNXBMFYSA-N 447.373 4.344 5 20 IIBD CCc1ccc([C@H]2CCCCCN2C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)o1 739612531 PVEAQKRUIFAORU-OAQYLSRUSA-N 427.501 4.344 5 20 IIBD CC(C)(CC(=O)OCc1ccc([N+](=O)[O-])cc1Br)NC(=O)OC(C)(C)C 739579745 HCJWYGBZHIJJNV-UHFFFAOYSA-N 431.283 4.094 5 20 IIBD C[C@@H](Nc1ccc(C(=O)OCCn2ncc3ccccc32)cc1[N+](=O)[O-])c1ccccn1 737356920 IROFDVAVHWUYNA-MRXNPFEDSA-N 431.452 4.370 5 20 IIBD O=C(Nc1cc(F)c(OC(F)F)cc1F)C1CCN(c2ccccc2[N+](=O)[O-])CC1 490284974 MJSCZGAZARWKES-UHFFFAOYSA-N 427.354 4.330 5 20 IIBD C[C@@H](C(=O)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1F 731340018 LFUDXBABECRWNC-AEFFLSMTSA-N 428.460 4.466 5 20 IIBD Cc1cc(Cl)ccc1O[C@@H](C)C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730702479 AFKMGAXDZLLENG-DOTOQJQBSA-N 446.887 4.172 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N(CCc1ccc(Cl)cc1)CC1CC1 735018484 UOTNOFPHSCIYBF-UHFFFAOYSA-N 443.931 4.180 5 20 IIBD CS(=O)(=O)c1cccc(Oc2ccc(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c1 737413469 CTUMLLWGJJRTPQ-UHFFFAOYSA-N 429.410 4.442 5 20 IIBD O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(NC(=O)c2ccco2)c1 735444954 BDVLJTXWUKDPNE-UHFFFAOYSA-N 433.376 4.452 5 20 IIBD O=C(N[C@@H]1COc2cc(F)cc(F)c21)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 672955255 VLEMWFVGECBTFZ-QGZVFWFLSA-N 428.341 4.101 5 20 IIBD Cc1cccc2nc(COC(=O)c3ccc(N[C@H](C)c4ccccn4)c([N+](=O)[O-])c3)cn12 730040859 IRFPXSMOLGRKEY-MRXNPFEDSA-N 431.452 4.476 5 20 IIBD COc1ccc([C@@H]2[C@H](COC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CCC(=O)N2C)cc1 735786408 XKPLBQGVRKUXHE-OYHNWAKOSA-N 438.436 4.116 5 20 IIBD Cc1c(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cnn1-c1ccccc1F 844531637 FOGDUZMFXKHNOT-LBPRGKRZSA-N 446.822 4.065 5 20 IIBD C[C@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 747957851 CZMDJSOZUMDEKX-RVSVCOFUSA-N 443.525 4.205 5 20 IIBD C[C@H](NC(=O)c1ccccc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 917511885 ICABSRZKSOVYGR-AWEZNQCLSA-N 433.420 4.067 5 20 IIBD Cc1ccc(NCCCNC(=O)N[C@H](c2ccccc2)C2CCOCC2)c([N+](=O)[O-])c1 740062489 WDHBDNUPYNZNQH-JOCHJYFZSA-N 426.517 4.172 5 20 IIBD CCOc1cc(N2CCC(OC(=O)COc3cccc(CC)c3)CC2)ccc1[N+](=O)[O-] 744200049 BKUPXBCHUIFOSR-UHFFFAOYSA-N 428.485 4.147 5 20 IIBD CCOc1ccc(C(=O)N2CCCC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 748532799 SLTZOLBPGLMAGS-ZWKOTPCHSA-N 447.532 4.388 5 20 IIBD CCN(CC)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1 748625341 ODXADUPRGVHQTA-UHFFFAOYSA-N 430.461 4.093 5 20 IIBD CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])ccc1Br 744382981 CRARXUHLYPPMIB-QGZVFWFLSA-N 446.345 4.342 5 20 IIBD C[C@@H](Cc1ccc(F)cc1)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 921108391 LKFFJPMXIHMTID-NSHDSACASA-N 428.338 4.113 5 20 IIBD CCc1cc2oc(=O)cc(COC(=O)COc3ccc([N+](=O)[O-])c(OC)c3)c2cc1Cl 921111508 PMCKJRGSYWTYPI-UHFFFAOYSA-N 447.827 4.048 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 756684966 IVDRXTVGYKELMH-UHFFFAOYSA-N 441.484 4.221 5 20 IIBD CN1CCOc2ccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3Cl)cc21 750900747 SFGOGEDZZXWXGT-UHFFFAOYSA-N 426.654 4.092 5 20 IIBD C/C(=C\C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1OC(F)F 753541198 LXEUTBDJTPSFQD-ZRDIBKRKSA-N 431.351 4.393 5 20 IIBD C[C@H](OC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1)c1ccccc1[N+](=O)[O-] 759270725 RUMWZJYEVRWMFQ-ZDUSSCGKSA-N 432.479 4.375 5 20 IIBD COC(=O)[C@@H](C)[C@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 755031122 SLUBHLAFPGPATK-ZBEGNZNMSA-N 436.262 4.029 5 20 IIBD CCOc1cc(COC(=O)CSc2nncn2-c2ccc(C)c(C)c2)ccc1[N+](=O)[O-] 755508845 CFTTZSUNMMCACW-UHFFFAOYSA-N 442.497 4.027 5 20 IIBD CCOC(=O)N1[C@H](C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC[C@@H]1c1ccc(C)o1 756988919 LSCFBWGXNBJOCK-SJORKVTESA-N 435.864 4.128 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)N[C@@H](C)c1ccc(Cl)cc1 754987946 NKXKUGPEUUCYTJ-UWVGGRQHSA-N 429.231 4.463 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2ccnc(Sc3ccccn3)c2)cc1[N+](=O)[O-] 753085631 VDGAULSIFZLESN-UHFFFAOYSA-N 436.902 4.299 5 20 IIBD CC(=O)Nc1ccc(Cl)c(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 768109472 PADGAADSMBXRFJ-JTQLQIEISA-N 430.804 4.175 5 20 IIBD CC(C)(C)c1nnc2ccc(C(=O)O[C@@H](c3cccnc3)c3ccccc3[N+](=O)[O-])cn12 769309405 KONULCRRUHOVTH-FQEVSTJZSA-N 431.452 4.276 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)OCC2CCN(C(=O)C(C)(C)C)CC2)CC1 762825161 IXPVUQOWVWMTFE-UHFFFAOYSA-N 445.560 4.273 5 20 IIBD C[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 764389321 XOIBLYYXQMSLON-FUHWJXTLSA-N 446.548 4.304 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 760858763 ADMSKCYJPMTIKQ-WBVHZDCISA-N 430.505 4.375 5 20 IIBD COc1cc(CONC(=N)c2cccc(NC(=O)OC(C)(C)C)c2)c([N+](=O)[O-])cc1F 766063475 DOPLAXYOXFGBOL-UHFFFAOYSA-N 434.424 4.136 5 20 IIBD CCOC(=O)Nc1ccc2c(COC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)cc(=O)oc2c1 763725017 RHDOXONNGXIWAD-UHFFFAOYSA-N 446.799 4.280 5 20 IIBD COc1cccc(C(=O)OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1[N+](=O)[O-] 769602223 KMDDSTCLGGMAQJ-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl 767689288 LXJRXPVQWKMHAH-NWDGAFQWSA-N 425.268 4.253 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@@H](C)C[C@H](O)c3ccco3)cc2[N+](=O)[O-])n1 761685467 ZEKHUNSBKKMQJL-NHYWBVRUSA-N 433.511 4.346 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(CSc2nnc(-c3cnccn3)n2Cc2ccco2)c1 765336357 IXCYULSFXNSCKP-UHFFFAOYSA-N 428.861 4.230 5 20 IIBD Cc1ccc(CN2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)CC2)cc1 1116108618 BOCILHXPOOUBNP-UHFFFAOYSA-N 432.318 4.014 5 20 IIBD C[C@@H](c1ccccn1)N(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(N(C)C)cc1 766589489 YUXGGWULMSTJTG-HNNXBMFYSA-N 434.452 4.193 5 20 IIBD CSc1ccccc1CC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 777170374 NNKNPSGQGNATFC-UHFFFAOYSA-N 428.388 4.060 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1nnc(COc2ccccc2[N+](=O)[O-])o1 1117215261 XIRKSAHUCHKICN-INIZCTEOSA-N 440.456 4.365 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c32)cc1[N+](=O)[O-] 776403859 FRCMNBZLJHUVFL-UHFFFAOYSA-N 442.428 4.361 5 20 IIBD COc1ccc(Br)cc1C(=O)CCC(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 773992527 HBCYLVWDDJHSDL-UHFFFAOYSA-N 447.285 4.227 5 20 IIBD O=C(Oc1cc(Cl)cnc1Br)C1CCN(c2ccccc2[N+](=O)[O-])CC1 775511448 MKMNOFZIJAFUND-UHFFFAOYSA-N 440.681 4.228 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCc2c(ncn2-c2ccccc2)C1 775693219 QZQKJNWQVUBGAL-UHFFFAOYSA-N 442.273 4.133 5 20 IIBD COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 770325866 SPTPILFCJODVQZ-SNVBAGLBSA-N 439.287 4.263 5 20 IIBD CC[C@@H](C)[C@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 781623441 RLCRPFWUTTUCOS-XCLFUZPHSA-N 425.445 4.216 5 20 IIBD C[C@@H](OC(=O)c1ccc(OC2CCCC2)nc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 781759569 IEOJXZSZBLICCI-GFCCVEGCSA-N 433.848 4.149 5 20 IIBD CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 780709250 IWINSWJAHRQODH-RUZDIDTESA-N 437.540 4.351 5 20 IIBD O=C(OCc1nnnn1C1CC1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 897068250 SHRSHAOSHMWIKY-UHFFFAOYSA-N 431.861 4.078 5 20 IIBD Cc1ccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2Br)N2CCCC2)cc1 782167169 LQRXVAKNZOHKRN-SFHVURJKSA-N 432.318 4.233 5 20 IIBD C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(I)c2)[C@@H]1c1ccccc1 787809404 PKNLDICLXZCDTK-BZNIZROVSA-N 437.237 4.424 5 20 IIBD Cc1cc(C)cc(NC(=O)COC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 781258943 WWTURCGMOBJIJY-UHFFFAOYSA-N 436.414 4.372 5 20 IIBD Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 781688996 KLMWTVINCMKDHD-PGRDOPGGSA-N 427.457 4.028 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N(C)Cc2cc3ccccc3o2)cc1[N+](=O)[O-] 784726833 RIYZKNKZVLNCDR-UHFFFAOYSA-N 446.257 4.009 5 20 IIBD CC(C)N(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 784039554 OUUFDVNVTYKORI-UHFFFAOYSA-N 433.364 4.126 5 20 IIBD C[C@H](OC(=O)C(C)(C)c1ccccc1Br)C(=O)Nc1ccccc1[N+](=O)[O-] 798729754 OTMLXENVHKCBSP-LBPRGKRZSA-N 435.274 4.205 5 20 IIBD COc1cc(C(=O)OCC(=O)N[C@H](c2ccccc2)c2cccs2)cc([N+](=O)[O-])c1C 791691450 HIPQNCUYTZXJBN-OAQYLSRUSA-N 440.477 4.036 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)NCc2coc(-c3cccs3)n2)c(Cl)cc1Cl 791422222 BFYTWKCBDFPSQH-UHFFFAOYSA-N 434.282 4.097 5 20 IIBD CCCN1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3OC)cc2Cl)CC1 793168673 QRZWTMVRWBWDOV-UHFFFAOYSA-N 432.908 4.041 5 20 IIBD COc1cc(C2SCCS2)ccc1OS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] 790821382 JTQBIAUWUWJCDP-UHFFFAOYSA-N 441.552 4.467 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] 799375000 UXMYEYSNTRXROW-IRXDYDNUSA-N 434.537 4.301 5 20 IIBD O=[N+]([O-])c1ccc(Br)c2c1CN(Cc1ccc(Oc3cnccn3)cc1)CC2 793617043 WGLMJRVYPYXZDG-UHFFFAOYSA-N 441.285 4.498 5 20 IIBD O=C(Nc1cccc(CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c1)c1cccc(F)c1 1330234294 GPJOZNRCKQXFDP-UHFFFAOYSA-N 434.427 4.212 5 20 IIBD Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C3)c(F)c1 1800309836 VRTTWIDLESWNLG-AGDBNRHRSA-N 437.471 4.008 5 20 IIBD CCCCC[C@H](C)C(=O)N1CC2(CCCN2C(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)C1 1845143867 UGRPKYVWYKFHAK-IBGZPJMESA-N 441.572 4.436 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@H]3C[C@H]3C3CC3)CCC2)cc1)c1cc(O)cc([N+](=O)[O-])c1 1790755690 QPLMCVFSVPZKRV-SFTDATJTSA-N 435.480 4.094 5 20 IIBD CC(=O)Nc1cc2ccccc2cc1C(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 16413214 KJPDKPRHSCBEMW-UHFFFAOYSA-N 441.827 4.155 5 20 IIBD CC(C)(C)OC(=O)C1CCC(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC1 535805523 CPGXDUAAPVZWRH-UHFFFAOYSA-N 446.422 4.166 5 20 IIBD O=C(COC(=O)CCc1ncc(-c2ccccc2)o1)Nc1cc(Cl)ccc1[N+](=O)[O-] 11942466 QRSVOBILJOWMJC-UHFFFAOYSA-N 429.816 4.018 5 20 IIBD CCc1ccccc1N1C(=O)/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)NC1=S 15282342 FAUORCOOEWOFTP-NTEUORMPSA-N 432.299 4.182 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1[N+](=O)[O-] 17960188 YAPHKNAZUXMXGF-UHFFFAOYSA-N 426.454 4.441 5 20 IIBD COc1ccccc1Nc1nnc(S[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)s1 21681201 CYEGVASKRWFKBJ-JTQLQIEISA-N 449.489 4.457 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 23587799 WUAGGOXCHRGKRC-CYBMUJFWSA-N 437.452 4.148 5 20 IIBD Cc1csc(Sc2ccc(C(=O)OCC(=O)Nc3ccccc3)cc2[N+](=O)[O-])n1 28831675 UVVWUQLWCUKHBP-UHFFFAOYSA-N 429.479 4.306 5 20 IIBD O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N1CCN(C(c2ccccc2)c2ccccc2)CC1 32144265 MCAZTIVEBSVZQL-UHFFFAOYSA-N 441.491 4.019 5 20 IIBD COc1ccccc1N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 46894860 MMXFREWESSJBEA-UHFFFAOYSA-N 433.464 4.358 5 20 IIBD CCN(CC)CCNC(=O)c1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 58509842 YHZVMHZGXBVHHU-UHFFFAOYSA-N 440.525 4.133 5 20 IIBD O=[N+]([O-])c1ccc(SCc2cccc3ccccc23)c(S(=O)(=O)N2CCOCC2)c1 58544039 ZXGCICZTIIEQLA-UHFFFAOYSA-N 444.534 4.061 5 20 IIBD O=C(c1ccc(Cl)cc1)c1ccc(OS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 71840338 XOFHUBILRQPSJV-UHFFFAOYSA-N 431.853 4.388 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3cccnc3N3CCCCC3)cc2)c(C)c1[N+](=O)[O-] 108691488 DJQOKZZKBJWMMW-UHFFFAOYSA-N 434.500 4.094 5 20 IIBD COc1cc(C(=O)NCCc2nccs2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 109585955 OPQDSXMCISAJLZ-UHFFFAOYSA-N 433.873 4.478 5 20 IIBD COc1ccc(OC)c([C@@H](O)CNCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c1 110461502 JXQIZUWAXTWJMZ-IBGZPJMESA-N 432.860 4.349 5 20 IIBD O=C(Nc1cccc(CNc2c(Br)cncc2[N+](=O)[O-])c1)c1ccncc1 301856820 ZJIKUWWSMXBTQA-UHFFFAOYSA-N 428.246 4.012 5 20 IIBD CS(=O)(=O)c1cccc(N2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)c1[N+](=O)[O-] 301906807 ZKKLWVNMLBWUSY-CYBMUJFWSA-N 445.324 4.353 5 20 IIBD NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(Sc2ccc(F)cc2)cc1 301957385 MXEHJXRNMJTVEZ-UHFFFAOYSA-N 433.486 4.145 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 303315011 PYCRKRXIBVEOFS-MRXNPFEDSA-N 449.287 4.111 5 20 IIBD O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC(c2ccc(Br)cc2)CC1 410391766 WVNBIRCZNBUXAZ-UHFFFAOYSA-N 447.285 4.148 5 20 IIBD CCN(CC)CCCNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1Cl 428393000 LVYYZAZOZFLZBB-UHFFFAOYSA-N 446.935 4.271 5 20 IIBD CCCn1ccnc1CCCN(C)C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 430489784 CINWFGRTOKCGKF-UHFFFAOYSA-N 438.478 4.271 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCN1Cc1ccccc1 431408156 UEOWZUOXEJEOCU-ZBFHGGJFSA-N 434.443 4.371 5 20 IIBD CN(Cc1cccc(N(C)C)c1)C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 431879123 UBSQPQFDXBFTQT-UHFFFAOYSA-N 427.448 4.430 5 20 IIBD O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1cc(Br)cc([N+](=O)[O-])c1 432440252 FUCSFLCFROVUQV-MRXNPFEDSA-N 431.246 4.337 5 20 IIBD COC[C@H](Nc1ccc(C(=O)c2ccccc2C(=O)OC)cc1[N+](=O)[O-])c1ccc(C)o1 433785883 KXMASLDLBHDHDF-IBGZPJMESA-N 438.436 4.313 5 20 IIBD CCc1nc(CCNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)sc1C 436361259 GWUYHYREKXBCFB-UHFFFAOYSA-N 427.476 4.259 5 20 IIBD O=C(c1ccc(F)cc1I)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437098658 QAHKMHJLIBTCIQ-UHFFFAOYSA-N 440.212 4.143 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 438535310 LIKGJCHFEUTPFM-UHFFFAOYSA-N 445.884 4.257 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(Cc1c(F)cccc1F)C1CCCC1 439631390 AFRIVTZOFQFAKK-UHFFFAOYSA-N 431.439 4.400 5 20 IIBD C[C@H](NC(=O)c1sc(N2CCOCC2)nc1-c1ccccc1)c1cccc([N+](=O)[O-])c1 440684367 VHHBAROZCVALCY-HNNXBMFYSA-N 438.509 4.046 5 20 IIBD Cc1ccc(OCc2ccccc2)c(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c1 442420692 QYOZJDHEZJZODF-UHFFFAOYSA-N 433.464 4.241 5 20 IIBD O=C(Nc1cc(F)c(F)cc1I)c1c(Cl)cccc1[N+](=O)[O-] 443957954 JXUBSXVPQYXPCU-UHFFFAOYSA-N 438.555 4.383 5 20 IIBD CC(C)(C)OC(=O)C1CCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CC1 444021845 PATLZRKABMYGLH-UHFFFAOYSA-N 442.462 4.153 5 20 IIBD O=C(NCCC1CCN(CC(F)(F)F)CC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 444106765 HQBHKHXHMSZGTL-UHFFFAOYSA-N 431.458 4.076 5 20 IIBD O=C(Cc1noc(Cn2ccc3cc([N+](=O)[O-])ccc32)n1)Nc1ccccc1C(F)(F)F 445420325 VLRBJIRXEOYIJT-UHFFFAOYSA-N 445.357 4.181 5 20 IIBD COc1ccc(NC(=O)CN[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 445986317 UAAQXHBIAQONAZ-NVXWUHKLSA-N 437.418 4.487 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(-c2nc(-c3ccc(Br)cn3)no2)c1 460825719 ZKAFEUGUISQATH-UHFFFAOYSA-N 426.024 4.232 5 20 IIBD Cc1cc(Br)c(NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 463368120 NOYLLZRZKWRTGO-SNVBAGLBSA-N 440.681 4.076 5 20 IIBD O=C1CC[C@@H]2CN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])c3cccc1c32 463802236 TVAWYIPCDWDSNO-SECBINFHSA-N 427.265 4.171 5 20 IIBD O=C1c2ccccc2CCN1CCNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 466916335 GOJJYLKPNFONGL-UHFFFAOYSA-N 435.455 4.314 5 20 IIBD CS(=O)(=O)c1ccc(CNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)s1 469963125 GQEMFPJGZUUFEU-UHFFFAOYSA-N 448.547 4.141 5 20 IIBD CNC(=O)c1cc2cc(NC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)ccc2[nH]1 473550840 JGNSKNIMSLEFIE-UHFFFAOYSA-N 446.413 4.053 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@@H](c1cccc(Cl)c1)c1ccccn1 473875887 JSCOPMPVMFNNPZ-FQEVSTJZSA-N 425.876 4.144 5 20 IIBD CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)[C@H]1c1ccc(OC)cc1 475292092 DBNYPXGMUIBQTD-XMSQKQJNSA-N 440.500 4.025 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C)C(F)(F)F 475739472 UYSCXJGWJCECDO-LLVKDONJSA-N 433.408 4.015 5 20 IIBD CN1CC[C@@H](CNC(=O)CSc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 476978950 HNOQJIKBXMGTDH-XOBRGWDASA-N 437.924 4.289 5 20 IIBD CCOc1cc(N2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc([C@@H]4C[C@@H]4C)o3)CC2)ccc1[N+](=O)[O-] 477367130 SZLJAEGWCOYBSR-WZGPROSRSA-N 439.512 4.162 5 20 IIBD COC(=O)c1cnc(Oc2ccc(-n3c(C)nnc3-c3ccccc3C)cc2)c([N+](=O)[O-])c1 477719463 DKODVMGNQWUMGS-UHFFFAOYSA-N 445.435 4.433 5 20 IIBD O=C(COc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1N1C(=O)c2ccccc2C1=O 478531759 WQNSOEYAWUEHJY-UHFFFAOYSA-N 436.807 4.311 5 20 IIBD CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)c1cccc(C)c1[N+](=O)[O-] 478968473 DNQCGPHXKWWGFO-QGZVFWFLSA-N 435.318 4.433 5 20 IIBD CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 478968617 YDALZQVAQVGGBO-GOSISDBHSA-N 435.318 4.054 5 20 IIBD C[C@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccc(OCC(F)(F)F)cc1 479634245 BYPBNINXVLGOFH-ZDUSSCGKSA-N 434.374 4.213 5 20 IIBD Cc1cc(OCC(=O)Nc2ccc(F)c(NC(=O)c3ccoc3C)c2)ccc1[N+](=O)[O-] 484146983 OLVXZZAFSMSAIP-UHFFFAOYSA-N 427.388 4.214 5 20 IIBD CCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)c2)c1 484937133 OXFFKWOZXDHNFI-UHFFFAOYSA-N 447.447 4.205 5 20 IIBD C[C@H](Sc1ccc(Br)cc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)OCO2 485265714 VOLZATBNZFJETK-VIFPVBQESA-N 425.260 4.205 5 20 IIBD C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 486017947 OGAIQIAQFLHZKF-CYBMUJFWSA-N 443.447 4.351 5 20 IIBD CCC(CC)NC(=O)[C@H]1CN(C(=O)c2cccc(SC)c2[N+](=O)[O-])c2ccccc2O1 486246169 ZKZWZUAPMIQXCX-GOSISDBHSA-N 443.525 4.029 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@@H](C)[C@H](OC)c2ccc(Cl)cc2)c(C)c([N+](=O)[O-])c1 486875536 WAFQMFDTDXBIAD-SGTLLEGYSA-N 435.864 4.241 5 20 IIBD O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCN(Cc2cscn2)CC1 487231434 IUNSJOBRHRFRSM-UHFFFAOYSA-N 440.550 4.161 5 20 IIBD O=C1[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCCN1c1ccccc1Cl 487323558 NRHQCHZJQLRVPE-LJQANCHMSA-N 442.903 4.118 5 20 IIBD Cc1csc(N(C)C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n1 488571586 TXSPPYQCZUGFPW-UHFFFAOYSA-N 433.493 4.418 5 20 IIBD COC(=O)CCc1csc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)n1 489068515 FQRZOHCPKSTQJT-UHFFFAOYSA-N 427.438 4.202 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2O)cc1[N+](=O)[O-] 489673760 CJQWHZNERVSLCP-IERDGZPVSA-N 447.491 4.244 5 20 IIBD O=C(Nc1cc(Cl)cc(Br)c1O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 490898617 BBTYRNPPKBBSEC-UHFFFAOYSA-N 437.637 4.154 5 20 IIBD CCOC(=O)c1sc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)nc1C(C)C 497600826 GFOFQLLJOJCBLF-UHFFFAOYSA-N 429.401 4.205 5 20 IIBD Cc1c(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)nnn1-c1ccc(F)c(Cl)c1 498150362 WBKLNEXOSJEWPT-LJQANCHMSA-N 447.879 4.164 5 20 IIBD O=C(CCCc1nc(-c2ccc(F)cc2)no1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 498152148 HLCHCBMWEPSRCD-OAQYLSRUSA-N 442.472 4.381 5 20 IIBD CC(C)c1ccc([C@H](NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 498329710 LHRLKXPRJMSINL-JOCHJYFZSA-N 426.517 4.031 5 20 IIBD C[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1cccc(OCc2ccccn2)c1 498750807 IIJORVOGCFZLDU-KRWDZBQOSA-N 430.464 4.401 5 20 IIBD CNC(=O)c1ccc(N(CCOC)[C@@H](C)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 498980826 XIVPWXPFEXKBLX-ZDUSSCGKSA-N 425.407 4.187 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 499525275 YHMLHVQGRRVWFH-OAQYLSRUSA-N 434.427 4.020 5 20 IIBD CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]12 501055273 ATGFOZAWUBTGGM-VDRZXAFZSA-N 444.576 4.107 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 501215399 YPTLQBPDEMNKSO-VAMGGRTRSA-N 429.904 4.005 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 502478926 WZYZRDCEUNDRKX-GFCCVEGCSA-N 441.340 4.126 5 20 IIBD COc1ccc(CN2CCCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)cc1 505242152 HJAPITCDQJJXRZ-UHFFFAOYSA-N 438.553 4.435 5 20 IIBD COc1ccc(CCNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC(F)F 506286182 XDOGRZAOBBRNDR-UHFFFAOYSA-N 449.435 4.301 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCOC[C@H]1c1nc2ccccc2s1 507506275 SXANXZNUUIXHGK-KRWDZBQOSA-N 446.916 4.184 5 20 IIBD Cc1ccc(C)c(OC2CCN(C(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CC2)c1 509123699 NDSQVZXXHAFEDV-UHFFFAOYSA-N 434.496 4.296 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N(CCc1ccccc1)Cc1cccnc1 512970789 VVDCUVQVWORODE-UHFFFAOYSA-N 431.901 4.077 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2CCc3ccc(OC)cc3C2)c([N+](=O)[O-])c1 513184080 QARYQVBZGVVJMM-UHFFFAOYSA-N 446.459 4.184 5 20 IIBD C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 513767569 KJHSNLHIDHYUNF-JTQLQIEISA-N 443.308 4.065 5 20 IIBD CCc1cccc(Cc2cnc(NC(=O)c3cc(C(=O)OC)cc([N+](=O)[O-])c3)s2)c1 514577863 WXVXYZBRDAIGIA-UHFFFAOYSA-N 425.466 4.243 5 20 IIBD COc1cc(CNCc2ccc(OC)c([N+](=O)[O-])c2)ccc1OCc1c(C)noc1C 517547385 QJWBJKRFVVJXKK-UHFFFAOYSA-N 427.457 4.086 5 20 IIBD CCCOc1ccc(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)cc1OCCC 517554273 MXCLNFWWTGPXJC-UHFFFAOYSA-N 425.445 4.005 5 20 IIBD O=C1[C@H](Nc2cc(Cl)ccc2OC[C@H]2CCCO2)CCN1c1cccc([N+](=O)[O-])c1 518791536 ZWWOWCPXUCPXRF-QZTJIDSGSA-N 431.876 4.023 5 20 IIBD CC(=O)CCc1ccc(OCCC(=O)Nc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)cc1 521087061 LDOUOHVQPSOKHB-UHFFFAOYSA-N 436.468 4.018 5 20 IIBD C[C@@H](OCCCNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1ccccc1 522625299 XFABFAJRXAAVOO-OAHLLOKOSA-N 428.876 4.374 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](CC1CCCCC1)c1ccccc1 523249700 YDADFXCYLRSHLU-IBGZPJMESA-N 425.485 4.370 5 20 IIBD O=c1c(Cl)c(NCc2csc(Br)c2)cnn1-c1ccc([N+](=O)[O-])cc1 523297649 FLHAINKNNADTCS-UHFFFAOYSA-N 441.694 4.230 5 20 IIBD COc1cc(C(=O)Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)cc([N+](=O)[O-])c1OC 525521332 UIGFJNGNUMCSPE-UHFFFAOYSA-N 444.513 4.184 5 20 IIBD CN(c1ccccc1)c1ccc(CNc2cccc(NS(C)(=O)=O)c2)cc1[N+](=O)[O-] 533212248 QPTNUEPXWUDSFU-UHFFFAOYSA-N 426.498 4.346 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C 534949764 CZSOSDVYSUCEFS-ZBFHGGJFSA-N 446.500 4.407 5 20 IIBD CC(C)c1cc(Br)ccc1NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 535654149 KDXJXIKVALHVHB-UHFFFAOYSA-N 435.274 4.433 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 537639105 FSPBFMMOWFNCQE-UHFFFAOYSA-N 441.797 4.165 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCO[C@H](C(C)C)C1 537837356 QSDUPTXWMAACMW-QRWLVFNGSA-N 449.529 4.020 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)c1 538430070 NJLHWEVVKDWTSM-UHFFFAOYSA-N 433.892 4.445 5 20 IIBD C[C@@H](CC(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc12)c1cccc(C(F)(F)F)c1 539403998 ORLNLCJCMLWUAN-ZDUSSCGKSA-N 447.417 4.279 5 20 IIBD COc1cc(CNc2nnc(CC3CCCC3)o2)c([N+](=O)[O-])cc1OCC(F)(F)F 539694269 YQHOONLZJWNTFK-UHFFFAOYSA-N 430.383 4.272 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 540195756 FRIJOVFJEJWSBH-QGZVFWFLSA-N 430.814 4.430 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCN(c4ccc(F)cn4)CC3)c([N+](=O)[O-])c2)cc1 540337793 FFLXPGJDNDLBQP-UHFFFAOYSA-N 435.459 4.016 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 543144552 YBUUREMFNAADGN-UHFFFAOYSA-N 434.374 4.434 5 20 IIBD O=C(c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 543354274 DYCVTSSDQVKJLU-GRDNDAEWSA-N 441.534 4.199 5 20 IIBD CS(=O)(=O)c1cccc([C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)c2ccccc2)c1 543640074 RVIDVVZEZIOQRA-FQEVSTJZSA-N 443.456 4.049 5 20 IIBD COc1ccccc1[C@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1Cl 545364177 WLFXVAHJOAWIOC-OAQYLSRUSA-N 446.912 4.466 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2cc(F)ccc2I)n1 545689974 QVZFRMJNBWLRNB-UHFFFAOYSA-N 425.157 4.364 5 20 IIBD COc1cc(Cc2noc(-c3cnn(-c4cccc(Cl)c4)c3C)n2)ccc1[N+](=O)[O-] 547179806 VVNKUNZGTNWYBY-UHFFFAOYSA-N 425.832 4.392 5 20 IIBD COc1ccc(Oc2cc(CNC(=O)N(C)CCc3cccc([N+](=O)[O-])c3)ccn2)cc1 549103719 JRHCFEVMIQWPMD-UHFFFAOYSA-N 436.468 4.175 5 20 IIBD CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)c2C)C1=O 550080494 TYZXCQKUUOHHOF-UHFFFAOYSA-N 438.484 4.242 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@@H](C)CCOCc3ccccc3)cc2)c(C)c1[N+](=O)[O-] 554098867 GWVOWRSMQPRTGB-KRWDZBQOSA-N 436.512 4.182 5 20 IIBD Cc1noc(CNC(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)n1 560629819 NPHAWRUIJRDFCL-XNTDXEJSSA-N 435.465 4.143 5 20 IIBD CCN(C)C(=O)c1cccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 561795703 OGCQUBRZTUOPCI-UHFFFAOYSA-N 435.430 4.304 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCC[C@H]2C)cc([N+](=O)[O-])c1C 565612950 PKFFSALYJYVFRH-OAHLLOKOSA-N 431.514 4.027 5 20 IIBD O=C(Nc1cc(C(F)F)ccc1Cl)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 573261327 TWPLSKUGZXXWIB-LBPRGKRZSA-N 429.832 4.491 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 576859753 NIKDPBOFRHFKIW-MRXNPFEDSA-N 428.832 4.284 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(Cc3cn4ccc(Br)cc4n3)CC2)cc1 582877350 MCAMYRHAUFZKNE-UHFFFAOYSA-N 431.290 4.048 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1 590680640 OHOMNQRBCYGFTP-UHFFFAOYSA-N 439.493 4.371 5 20 IIBD O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N(Cc1c(Cl)cccc1Cl)C1CC1 603523867 DVQVJDNZCKSGGL-UHFFFAOYSA-N 432.267 4.287 5 20 IIBD O=C(Nc1cccc(Cl)c1-n1cncn1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 603738665 DNZFGBWMQLEXJJ-UHFFFAOYSA-N 441.753 4.022 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(N[C@@H](C)c2cccc(OC(F)F)c2)c([N+](=O)[O-])c1 603858768 XSZYQVYGEUEKFL-ZDUSSCGKSA-N 443.472 4.400 5 20 IIBD CC(=O)Nc1cccc(Nc2nnc(SCCOc3ccccc3[N+](=O)[O-])s2)c1 603910942 FBPUVLDTDZQCDI-UHFFFAOYSA-N 431.499 4.319 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(NC(=O)N2CCCC2)c1 603937310 MLEOJKLOOPHHQI-OAHLLOKOSA-N 428.514 4.020 5 20 IIBD CCNc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CCO3)cc1[N+](=O)[O-] 604020409 LMBJSINNGWGZMS-UHFFFAOYSA-N 426.473 4.050 5 20 IIBD CC[C@@H](C)Oc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 608806875 WPYOQRTVLAMLPM-IERDGZPVSA-N 425.485 4.324 5 20 IIBD O=c1c(Cl)c(NCCOc2ccc3ccccc3c2)cnn1-c1ccc([N+](=O)[O-])cc1 608830378 OEZRUGAVZGICTF-UHFFFAOYSA-N 436.855 4.438 5 20 IIBD CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1 608837438 KKUVIEAHHGCPJA-UHFFFAOYSA-N 427.438 4.435 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N[C@H]2CCc3c(Br)cccc32)c([N+](=O)[O-])c1 609039941 KGDXZBNSVBZPLS-INIZCTEOSA-N 441.285 4.421 5 20 IIBD O=C(Nc1cccc(F)c1)c1cccc(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)c1 609490665 PVAQZAWPBVWSMA-UHFFFAOYSA-N 446.394 4.492 5 20 IIBD CC(C)C[C@H](C)Oc1cc(CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])ccn1 609512929 NVXGMCODLOFZFS-INIZCTEOSA-N 437.500 4.380 5 20 IIBD COC[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 609816907 JUEYGSQTAPJTOX-QGZVFWFLSA-N 437.418 4.331 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(Cl)c2OC(C)C)cc1OC 609816997 NDHIWQLTCJJIDV-UHFFFAOYSA-N 438.864 4.322 5 20 IIBD CCN(C(=O)COc1ccc([N+](=O)[O-])cc1Br)[C@H](C)c1ccc(F)cc1 609962133 XKWWWSYMAXOXGX-GFCCVEGCSA-N 425.254 4.485 5 20 IIBD C[C@H](C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1ccc([N+](=O)[O-])cc1F 612473072 FBGPKDBJSYGRGO-GXTWGEPZSA-N 425.382 4.251 5 20 IIBD CC(C)(C)OC(=O)c1cccc(CNC(=O)c2sc(Br)cc2[N+](=O)[O-])c1 618390262 PZMIOLYFTGEEDT-UHFFFAOYSA-N 441.303 4.304 5 20 IIBD O=C(Nc1ccc(OC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1)c1cccc([N+](=O)[O-])c1 726768349 YUCRJLLMAQAPRJ-UHFFFAOYSA-N 446.375 4.456 5 20 IIBD Cn1c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cc2ccccc21 727329992 KHVLTWFTRQIFFF-UHFFFAOYSA-N 432.402 4.068 5 20 IIBD CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(I)c([N+](=O)[O-])c1 727747095 NPDHTYCBLKLTQV-UHFFFAOYSA-N 448.619 4.264 5 20 IIBD O=C(O[C@H](c1cccc(Cl)c1)C(F)(F)F)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 730420475 HGRWNXZWFVUVOO-OAHLLOKOSA-N 426.738 4.289 5 20 IIBD O=C(CCc1cc(Br)cs1)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 730646494 FBNOXPMNKLXCJF-UHFFFAOYSA-N 438.259 4.145 5 20 IIBD C[C@H](OC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)no1)C(=O)Nc1ccccc1[N+](=O)[O-] 730859324 MCGIZAFSYCQHJK-NSHDSACASA-N 449.341 4.453 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NC[C@]2(O)CCCc3ccccc32)cc1[N+](=O)[O-])c1ccccn1 731369394 FBOPZOBMSVBAPM-CRICUBBOSA-N 446.507 4.117 5 20 IIBD Cc1cc(C(=O)COC(=O)c2cc(F)cc([N+](=O)[O-])c2)c(C)n1CCc1cccs1 731527331 FJMBGYPUZFQSDJ-UHFFFAOYSA-N 430.457 4.496 5 20 IIBD Cc1ccccc1-n1ncc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)c1C(F)(F)F 731705923 FDUBEWPOPTYDIF-UHFFFAOYSA-N 433.342 4.147 5 20 IIBD O=C(O[C@@H](c1cncc(F)c1)C1CCCCC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 731774048 GZLCMFYAPUHRGN-JOCHJYFZSA-N 443.475 4.444 5 20 IIBD O=[N+]([O-])c1ccc2nc(Sc3ccc(CNCc4ncc[nH]4)cc3[N+](=O)[O-])sc2c1 741160355 PMUNKASMSXATBM-UHFFFAOYSA-N 442.482 4.277 5 20 IIBD COc1cc([C@H]2NC(=O)c3c(Cl)cccc3N2)c([N+](=O)[O-])cc1OCC(F)(F)F 742444391 HPEQNDUGFBQOFH-OAHLLOKOSA-N 431.754 4.052 5 20 IIBD CC(C)n1ccc(CC(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)n1 742497126 PIARRBRBGMWWBA-UHFFFAOYSA-N 442.859 4.426 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 742511663 CRWGUMNMFAEFKU-LJQANCHMSA-N 449.573 4.325 5 20 IIBD COc1ccc(O[C@@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc1 742778831 MVCHMDJOWKJKCV-KRWDZBQOSA-N 427.501 4.037 5 20 IIBD O=C(Oc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 744073328 AUGKEEUGWVZDOD-AWEZNQCLSA-N 449.916 4.105 5 20 IIBD Cc1ccc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1NC(=O)OC(C)(C)C 745456468 YAVLJZIWEWRBMJ-UHFFFAOYSA-N 444.440 4.474 5 20 IIBD Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 745764303 IYTRBHCAVHCQJQ-GASCZTMLSA-N 443.475 4.178 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](c2ccccc2)C2CCOCC2)c(C(F)(F)F)c1 746671748 XZWIUFFFOSKJEL-GOSISDBHSA-N 444.431 4.060 5 20 IIBD COc1ccc(CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cc1OC 749408236 FVOIUGDSXNRKJG-UHFFFAOYSA-N 443.681 4.000 5 20 IIBD O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)c1cccc(Cl)c1[N+](=O)[O-] 749921870 WSRKNGWPYQFJPA-LBPRGKRZSA-N 438.709 4.267 5 20 IIBD Cc1c([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Br)cnn1-c1ccc(F)cc1 751080531 WQFROFXEMPCLRW-NSHDSACASA-N 447.264 4.482 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)Nc1ccc(Br)c([N+](=O)[O-])c1 755023772 HFZRDMSIFRBJOS-UHFFFAOYSA-N 429.614 4.241 5 20 IIBD COc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c1 755208845 VXMZHRYXIBBUGW-JBDIQEJZSA-N 432.476 4.379 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@H](O)c1ccc(Cl)cc1Cl 755802422 WPFTUZZBZJFYPF-HNNXBMFYSA-N 448.100 4.056 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 757273169 VZLPJPBNCLUPTP-UHFFFAOYSA-N 436.173 4.175 5 20 IIBD Cc1c(C(=O)NCC[C@H](O)c2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 760692203 MAMNACGXWOVSEB-INIZCTEOSA-N 442.255 4.280 5 20 IIBD Cc1cc(-c2noc([C@H](C)OC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)n2)ccc1F 763878334 ZOJQATCPSJNWRJ-ZDUSSCGKSA-N 437.387 4.196 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)COC/C=C/c1ccccc1 764227332 XOYOOGZYFAQYDM-JXMROGBWSA-N 436.468 4.112 5 20 IIBD O=C(Nc1ccccc1C(=O)N[C@H]1CCCc2c[nH]nc21)c1ccc([N+](=O)[O-])cc1Cl 766691781 LMRVBQLTHSJCQL-SFHVURJKSA-N 439.859 4.031 5 20 IIBD O=C(Nc1ccc(Cc2nnc3n2CCCCC3)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 766759825 WHVAVKNVGGIWGY-UHFFFAOYSA-N 425.876 4.409 5 20 IIBD CC(=O)[C@H](Cc1ccc(F)c(F)c1F)OC(=O)c1cc([N+](=O)[O-])ccc1Br 768674405 UPPWFAIYUZCGKO-AWEZNQCLSA-N 446.175 4.132 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])OCc1nc(C2CCCCC2)cs1 768702795 YZOFDHVWJQBYDN-UHFFFAOYSA-N 437.905 4.226 5 20 IIBD O=C(Nc1cc(C(F)F)ccc1Cl)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 769754277 VLEUDNMWZZAYJA-JTQLQIEISA-N 427.766 4.317 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)OCc2ccccc2)c1 770669208 BLKOONXSLYUUBE-LRGYGIHKSA-N 440.521 4.205 5 20 IIBD COc1ccc(-n2nc(C(=O)OCc3cnc(-c4ccc([N+](=O)[O-])cc4)o3)cc2C)cc1 770738299 JWBUZVPBSHQZMT-UHFFFAOYSA-N 434.408 4.110 5 20 IIBD C[C@@H](Cc1noc(-c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1)N(C)C(=O)OC(C)(C)C 771127270 SBYBGAWTQPVSLM-JTQLQIEISA-N 430.383 4.462 5 20 IIBD O=C(COC(=O)[C@H]1CCCc2sccc21)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 771411134 AADCUDAWEVICQK-LBPRGKRZSA-N 428.388 4.277 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1cc(F)c(F)cc1Br 771604231 VYBSTEPEULXUOS-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD CCc1nc(C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)co1 772393015 CEEOSFSSVQKHPY-GOSISDBHSA-N 429.816 4.335 5 20 IIBD COCc1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cc1 772593356 VFHLHRSRWIKYNH-UHFFFAOYSA-N 438.406 4.114 5 20 IIBD Nc1nc(-c2ccccc2)c(CC(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)s1 773462476 QGACQHFTEIHODK-UHFFFAOYSA-N 448.298 4.349 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] 774199433 KSFOLKGKUCMMJD-ABKXIKBNSA-N 429.217 4.142 5 20 IIBD O=[N+]([O-])c1ccc(NC(=S)N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)cc1 774230755 RFWAQAXHYHPZMY-MRXNPFEDSA-N 440.294 4.267 5 20 IIBD Cc1c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2Br)oc2ccc(F)cc12 775200595 BLDDMMWLSHBXJF-UHFFFAOYSA-N 429.223 4.352 5 20 IIBD O=[N+]([O-])c1cccc(NS(=O)(=O)c2csc(-c3ccccc3)n2)c1Br 775201626 MOTNSXDAUVMELK-UHFFFAOYSA-N 440.300 4.282 5 20 IIBD C[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 776474172 NVGYMVLUQGJWKZ-SNVBAGLBSA-N 426.483 4.109 5 20 IIBD O=C(OCc1cc2c(cc1Br)OCCCO2)c1c(F)ccc([N+](=O)[O-])c1F 777108922 VYYJVBWSWVPFPZ-UHFFFAOYSA-N 444.184 4.154 5 20 IIBD CC(=O)c1ccc(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)c(F)c1 777361765 HZBYEFCRKQYRTE-SFHVURJKSA-N 442.443 4.178 5 20 IIBD Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 778788492 SOGUPJAAAMDHKY-HNNXBMFYSA-N 448.501 4.142 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCCN(C)CC2)cc1 779853480 QCTYYKUFFOXUGT-UHFFFAOYSA-N 428.558 4.491 5 20 IIBD O=C(NC[C@H](O)c1ccccc1C(F)(F)F)c1ccc2[nH]c3ccccc3c(=O)c2c1 780910507 GMISKLAUJNEYHZ-FQEVSTJZSA-N 426.394 4.164 5 20 IIBD O=C(OCCOc1ccccc1[N+](=O)[O-])c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781257726 UFNUQOAOHOLSBP-UHFFFAOYSA-N 440.358 4.104 5 20 IIBD C[C@@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(S(C)(=O)=O)cc1 783316493 PBQVEPHJZWOJIZ-GFCCVEGCSA-N 432.479 4.040 5 20 IIBD O=C(NCc1ccccc1Oc1cccc(F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 783321477 ZYJJYIKKBRXRPQ-UHFFFAOYSA-N 443.818 4.435 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 784440409 HZLXBFWTMDOITC-OAQYLSRUSA-N 437.562 4.474 5 20 IIBD CC(C)(O)CN1CCc2c(cccc2NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 784634980 WJTLQSSDJWIZKJ-UHFFFAOYSA-N 438.553 4.459 5 20 IIBD O=C(OCc1ncc(Br)s1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 785032511 PPDANEQJSOWSCM-UHFFFAOYSA-N 426.292 4.161 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc(N2CCOC2=O)cc1 785966644 LMTDBXGSDCKNPT-LBPRGKRZSA-N 448.273 4.113 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)NC(=O)C[C@H](C)c2c[nH]c3ccccc23)cc1[N+](=O)[O-] 786271961 GDRILABCFGSTFC-NSHDSACASA-N 435.889 4.037 5 20 IIBD CCN(C[C@H](O)c1ccc(C)cc1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 787338628 DOYGPDJBYCIXSX-SFHVURJKSA-N 425.407 4.187 5 20 IIBD CCc1nc2ccccc2c(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1C 787858224 QXVARWDPCHDQBC-ZDUSSCGKSA-N 425.416 4.337 5 20 IIBD C[C@H](OC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)c1cc2ccccc2o1 790746449 SZJLOIBWRWDZNA-RYUDHWBXSA-N 448.834 4.485 5 20 IIBD Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 790986599 UPJAEBATANUXBD-UHFFFAOYSA-N 446.301 4.366 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)c1ccncc1Cl 791510969 ICZKQRDKEYHBNT-UHFFFAOYSA-N 425.828 4.295 5 20 IIBD COC(=O)Nc1cc(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc(C(F)(F)F)c1 801091375 SLMMOEGDZSLIGQ-UHFFFAOYSA-N 425.363 4.107 5 20 IIBD C[C@H](OC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)c1ccc(C(C)(C)C)cc1 801922984 VQXFWPFDCWXALI-ZDUSSCGKSA-N 446.887 4.090 5 20 IIBD O=[N+]([O-])c1ccc(Br)c2c1CN(c1ccc([N+](=O)[O-])c3cccnc13)CC2 804703460 LMLQPFDWRIWKNB-UHFFFAOYSA-N 429.230 4.376 5 20 IIBD O=[N+]([O-])c1cc(CS(=O)(=O)c2ccc(Br)cc2)ccc1Br 804929312 YAILRTPWLONAES-UHFFFAOYSA-N 435.093 4.094 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H](c1ccc(F)cc1)c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 809235038 CPUZKPHFBYXFIM-HNNXBMFYSA-N 443.435 4.023 5 20 IIBD O=C(Nc1ccc(Cl)cc1OCC(F)F)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 809290039 HJKPFRZWHVOACP-MRXNPFEDSA-N 425.775 4.024 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(C[C@](O)(c3nc4ccccc4s3)C(F)(F)F)n2)s1 809468639 NXYNICZKYZRPQW-HNNXBMFYSA-N 442.400 4.309 5 20 IIBD O=[N+]([O-])c1ccc(N2CCOCC2)c(-c2nc(-c3ccc(Br)cc3F)no2)c1 809469419 QNOHRCZLAJNMNA-UHFFFAOYSA-N 449.236 4.050 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCS[C@H](c3ccccc3)C2)c(Cl)cc1Cl 809817458 BRZFRYFJNBOYQC-HNNXBMFYSA-N 433.338 4.380 5 20 IIBD O=C(Cc1cccc(Cl)c1F)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 810721520 ZTZWWBLUCQBSTK-UHFFFAOYSA-N 427.657 4.277 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](C2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC2)C1 810949208 NGGQUDNWUXHIIZ-IBGZPJMESA-N 431.533 4.023 5 20 IIBD COc1ccc2c(C)c(CCC(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)c(=O)oc2c1 811932913 RJYFWATXVLSHSC-UHFFFAOYSA-N 444.871 4.263 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)OCc2nc3ccc(Br)cc3o2)c1 812578120 IHZLTDRLUVAABE-UHFFFAOYSA-N 435.230 4.319 5 20 IIBD O=C(COC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccc(C(F)(F)F)cc1 812592019 CHCISSPSSCSACT-UHFFFAOYSA-N 432.148 4.416 5 20 IIBD CCOc1ccc(C(=O)OC[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)cc1[N+](=O)[O-] 813154557 FKJXUUQELRQQHU-CQSZACIVSA-N 444.431 4.043 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1cc(Br)cnc1OCC1CC1 813244972 XRIWKIGOTDMBAR-UHFFFAOYSA-N 426.654 4.447 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCN(C(=O)NCc3ccc([N+](=O)[O-])cc3)C2)C1 814362197 STKCOSIIKIMKNY-MOPGFXCFSA-N 446.548 4.164 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)CC[C@@H]21 816999111 UELLQLDKUQIIHS-LRDDRELGSA-N 443.422 4.085 5 20 IIBD COc1cc(CCNC(=N)N[C@@H](C)c2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OC 849056969 JOFJRSGOSIJHMD-NSHDSACASA-N 441.315 4.336 5 20 IIBD Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 849210595 PNDILIOOPVEKJW-UHFFFAOYSA-N 448.262 4.495 5 20 IIBD O=C(CNc1cc([N+](=O)[O-])ccc1Nc1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 851770585 ZBKJTLQCEYAOAB-UHFFFAOYSA-N 433.424 4.248 5 20 IIBD C[C@H](Nc1ccc(C(=O)OCC(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-])c1ccccn1 920546637 LTPJQQGXXZLMRN-ZDUSSCGKSA-N 441.390 4.481 5 20 IIBD C[C@@H](OC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C(=O)N(C)Cc1c(F)cccc1Cl 927508111 QEBRDPCRPPCDMV-LLVKDONJSA-N 433.823 4.073 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCN(C)CC2)c(C)c1 1116512372 MQFNDKPXQSNAAG-UHFFFAOYSA-N 428.558 4.409 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC(Nc2ccccc2Cl)CC1 1318178673 IFGSAPSRYWGOAC-UHFFFAOYSA-N 430.313 4.167 5 20 IIBD COc1ccc(Oc2ccc(S(=O)(=O)N3Cc4ccc([N+](=O)[O-])cc4C3)cc2)cc1 1319108386 RCATWLDOXILRHF-UHFFFAOYSA-N 426.450 4.100 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2ccc3cncn3c2C)c2ccccc2)c([N+](=O)[O-])c1 1325422314 KEDVCPGTUPJUSC-JOCHJYFZSA-N 444.447 4.396 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1)c1ccnc(Cl)c1 1785747759 ADEFTIJTMTYRHE-UHFFFAOYSA-N 440.843 4.298 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc2occc2c1 1800522981 SYHUZEPQGGBVKZ-REPLKXPHSA-N 437.427 4.046 5 20 IIBD Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccccc2F)C3)cc(Cl)cc1[N+](=O)[O-] 1800711327 JDULWZHYDBNKDK-MUJYYYPQSA-N 445.878 4.261 5 20 IIBD CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)CC1 1826352898 ZSISEJYKLHSUKK-OAQYLSRUSA-N 427.545 4.046 5 20 IIBD O=C([C@@H]1CCC[C@H]2CCCC[C@H]21)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)C1 1845314864 NYELZPQLFRZQQX-BHIYHBOVSA-N 443.519 4.157 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)c2)cc1F 15790788 MECNDVDCRKOTLF-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 16142816 UUTXIHZTNUVTEX-MRXNPFEDSA-N 427.526 4.018 5 20 IIBD CCOC(=O)C1CCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 17169380 AQYZHOPCTBAWHX-UHFFFAOYSA-N 428.510 4.470 5 20 IIBD CCOc1ccc(S(=O)(=O)N(C)c2ccc(Oc3ncccc3[N+](=O)[O-])cc2)cc1 22804555 CMUSYRFIKMKEQE-UHFFFAOYSA-N 429.454 4.006 5 20 IIBD CCC(CC)c1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2I)s1 32625650 WOGGHFYINWUQKT-UHFFFAOYSA-N 446.270 4.207 5 20 IIBD Cc1nc2c3ccccc3nc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)n2n1 45699303 KMXSZWADGLKEKK-SNVBAGLBSA-N 442.888 4.267 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)cc1[N+](=O)[O-] 105982787 KSMUYENBOAZAKA-UHFFFAOYSA-N 431.514 4.004 5 20 IIBD CC(C)[C@@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc(C2CC2)no1 110705048 ZJNJHRKQRZSLQO-MRXNPFEDSA-N 441.410 4.190 5 20 IIBD COc1ccccc1/C=C(\C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 207877117 SQBOJRUXZDXWPL-CYVLTUHYSA-N 432.432 4.326 5 20 IIBD O=C(CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)Nc1ccc(F)cc1 237845721 OHDRAXCWMRIKGI-UHFFFAOYSA-N 448.248 4.485 5 20 IIBD NS(=O)(=O)c1cc(N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)cc([N+](=O)[O-])c1 301924536 KYPBOWJVTSTPOZ-NVXWUHKLSA-N 429.420 4.009 5 20 IIBD Cc1nc(-c2ccncc2)nc(Oc2ccc(I)cc2[N+](=O)[O-])c1C 302483208 RPXHXFRJPJUHAN-UHFFFAOYSA-N 448.220 4.461 5 20 IIBD COc1ccc([C@H](CCC(=O)O)NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 426713888 AIPJJQWNKAYXRH-IBGZPJMESA-N 427.482 4.423 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2nnc([C@@H]3CCCc4ccccc43)s2)cc1[N+](=O)[O-] 432538650 OLZXFLSMKHZWCH-MRXNPFEDSA-N 430.511 4.024 5 20 IIBD CC(C)NC(=O)Cc1ccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1 436108714 XXARMKBSCRKWIA-UHFFFAOYSA-N 431.467 4.140 5 20 IIBD O=C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 437036484 JWIFQZJLPLWLOG-UHFFFAOYSA-N 441.793 4.397 5 20 IIBD O=C(c1cc(F)ccc1I)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437109063 HBWUOFCDMWWXTF-UHFFFAOYSA-N 440.212 4.143 5 20 IIBD CCOc1cccc([C@@H]2C[C@H]2NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 437900327 YNJUIXAINJQVNJ-FCHUYYIVSA-N 425.485 4.102 5 20 IIBD COc1ccc(OC(C)C)c(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 438014363 QHJSIYHMWPTQIK-UHFFFAOYSA-N 429.473 4.466 5 20 IIBD O=C(NCC1(c2ccc(F)cc2)CCOCC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 438014442 QMGUHPRVHSQHQB-UHFFFAOYSA-N 427.476 4.156 5 20 IIBD C[C@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1ccc(Br)cc1 444464134 ZYCMVTPOIQFTBF-LBPRGKRZSA-N 430.258 4.162 5 20 IIBD COc1nc(C)c(Br)cc1-c1noc(-c2ccc([N+](=O)[O-])cc2Cl)n1 446011868 MWRGMNPFAFPZAE-UHFFFAOYSA-N 425.626 4.440 5 20 IIBD Cc1ccnc(OC2CCN(c3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])CC2)c1 447682971 LSXADAOCNHUVHB-UHFFFAOYSA-N 432.349 4.395 5 20 IIBD CC(C)(C)n1cc(C(=O)NCCc2ccccc2[N+](=O)[O-])c(-c2ccc(F)cc2F)n1 460489886 LAQJHZRUDCDOCK-UHFFFAOYSA-N 428.439 4.464 5 20 IIBD COc1ccccc1-n1c(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)nc2ccccc21 461239866 CFMPSNPBFXVQMD-UHFFFAOYSA-N 428.408 4.071 5 20 IIBD CC(C)N(Cc1ccco1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCO1 461679438 IPZONPDTNYAESD-IBGZPJMESA-N 425.489 4.430 5 20 IIBD C[C@H]1C[C@@H](c2cccc(F)c2)N(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 462721366 SMFSXXHDNCQECV-NHYWBVRUSA-N 443.294 4.268 5 20 IIBD CN(C)CCn1ccc2ccc(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)cc21 465132190 CYWKYIQNTDRXHD-UHFFFAOYSA-N 435.509 4.487 5 20 IIBD O=C1CC[C@]2(C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)Sc3ccc(Cl)cc3N12 466302370 FQZPSJZIPQJZCC-GOSISDBHSA-N 438.292 4.147 5 20 IIBD COc1cc(C(=O)N2CCN(CC3CC3)c3ccccc32)c([N+](=O)[O-])cc1OC(F)F 467123973 FEKJOPSXYNNZCZ-UHFFFAOYSA-N 433.411 4.082 5 20 IIBD COc1ccc(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1Oc1ccc(C)nn1 467465716 ASTKFTBLDQDVJF-UHFFFAOYSA-N 443.847 4.469 5 20 IIBD C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Br)cc2)no1 471589748 HUNQKVCSIWPYNE-JTQLQIEISA-N 432.234 4.290 5 20 IIBD Cc1cc(-c2noc([C@@H](C)NC(=O)NCCCCc3ccc([N+](=O)[O-])cc3)n2)ccc1F 472435750 ZGARCJCMZOEPCR-OAHLLOKOSA-N 441.463 4.475 5 20 IIBD COc1ccc(-c2ccc(CNC(=O)c3cc(OC)c(OC)cc3[N+](=O)[O-])s2)cc1 473488553 NXERHWOHFUJBGV-UHFFFAOYSA-N 428.466 4.279 5 20 IIBD NC(=O)C[C@H](NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C1CCCCC1 473820650 WHAMCDWJGGLUQM-FQEVSTJZSA-N 426.473 4.333 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCCC[C@H]2c2ncc(-c3cccc(F)c3)[nH]2)cc1 474344533 AZJOCCUMKGCBOK-FQEVSTJZSA-N 444.488 4.181 5 20 IIBD COc1cccc(Cl)c1-c1noc(C)c1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 476954771 WBGNVJFJEUSXNU-UHFFFAOYSA-N 443.843 4.124 5 20 IIBD COc1c(C(=O)Nc2nc3cc(F)c(Br)cc3s2)cccc1[N+](=O)[O-] 477017415 GBHLEHFEQISBSB-UHFFFAOYSA-N 426.223 4.367 5 20 IIBD Cc1ccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1NC(=O)N(C)C 478710371 MCRSRZDOZFQORA-UHFFFAOYSA-N 447.300 4.104 5 20 IIBD CCc1nc2ccccc2n1C1CCN(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC1 480709050 MSDHXSLCXIUOIR-UHFFFAOYSA-N 442.541 4.150 5 20 IIBD O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1CC[C@H](N2CCCC2=O)C1 481263969 JWAREIHJTXBWQZ-HNNXBMFYSA-N 445.928 4.236 5 20 IIBD CCCN(CCC)C(=O)c1ccc(NS(=O)(=O)c2c([N+](=O)[O-])ccc(C)c2C)cc1 481587311 OPEXLNZFHYWJRB-UHFFFAOYSA-N 433.530 4.275 5 20 IIBD Cc1cc(OCc2ccccc2)ccc1NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C 483811260 WQYUBPXUTCILOD-UHFFFAOYSA-N 433.464 4.046 5 20 IIBD Cc1c([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cnn1-c1ccc(F)cc1 483845537 ISQDQQQTQZYIQH-NSHDSACASA-N 434.374 4.320 5 20 IIBD Cc1nc2cc(Cl)c(NC(=O)C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)cc2s1 484321030 JQROKDVCHIVERH-UHFFFAOYSA-N 444.900 4.296 5 20 IIBD CNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 485127719 MJIRWMWBVWPFFM-OAQYLSRUSA-N 447.516 4.372 5 20 IIBD Cc1c(CNC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cccc1[N+](=O)[O-] 485301713 DATYNXKRGSWMEW-HXUWFJFHSA-N 431.492 4.225 5 20 IIBD O=C(c1ccsc1)N1CCCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 485394668 XRLFVFSTQGBKGR-UHFFFAOYSA-N 426.473 4.210 5 20 IIBD CC(=O)N[C@H](CC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(Cl)cc1 486733606 GAOMBBOHESCTAI-QGZVFWFLSA-N 443.809 4.151 5 20 IIBD CCN(CC)Cc1nc(C2(NC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CCCC2)no1 486911340 QJVOZFZZNFUUSG-UHFFFAOYSA-N 436.900 4.064 5 20 IIBD COc1cc(C(=O)Nc2cc(Br)cc(OC(C)C)c2)cc([N+](=O)[O-])c1OC 487411388 ICIMOXLWNWEYPE-UHFFFAOYSA-N 439.262 4.414 5 20 IIBD COC[C@@H](C)n1ccc(N[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)n1 488339435 WYLLIAKZRLLZPF-JLTOFOAXSA-N 443.891 4.444 5 20 IIBD CCOc1cc(CN[C@](C)(C(=O)OC)c2ccc(Cl)c(Cl)c2)ccc1[N+](=O)[O-] 492818684 PCVBVGHHSFPBFQ-IBGZPJMESA-N 427.284 4.478 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N(C)c2cc(Cl)cc(Cl)c2)ccc1[N+](=O)[O-] 499533508 KFQUNUBTKGJJON-GOSISDBHSA-N 436.295 4.478 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])c1cccnc1Oc1cccc(Br)c1 500795220 NQILXCKDWZJBDW-UHFFFAOYSA-N 428.242 4.475 5 20 IIBD Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)c([N+](=O)[O-])c1 503209615 AXXJTUPLQGVIOH-SFHVURJKSA-N 431.901 4.214 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H](C)[C@@H]2CCCOC2)cc1[N+](=O)[O-] 504855978 CCSYAJPSNSUEIP-GOEBONIOSA-N 428.510 4.093 5 20 IIBD C[C@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1=O 513481273 AMNIGRVJDHZYQF-VLIAUNLRSA-N 445.466 4.019 5 20 IIBD O=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 515216270 HMUXIHPBWQXEGO-UHFFFAOYSA-N 427.392 4.435 5 20 IIBD Cc1nc(CN2CCC(CNC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC2)oc1C 518961926 NDHSUMLWBHXBJR-UHFFFAOYSA-N 428.514 4.056 5 20 IIBD COc1cc(OCC(=O)Nc2c(C(=O)c3ccco3)oc3ccccc23)ccc1[N+](=O)[O-] 521093123 UUZIENLAEJVFPI-UHFFFAOYSA-N 436.376 4.191 5 20 IIBD CC(C)n1c([C@H]2CCCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)C2)nc2ccccc21 524407099 PRXZMGFXCKBYQI-HNNXBMFYSA-N 436.468 4.274 5 20 IIBD Cc1ccc(NCCCNC(=O)N2CCC(OCC3CCCCC3)CC2)c([N+](=O)[O-])c1 524786436 WUILIPMBJJOHHF-UHFFFAOYSA-N 432.565 4.476 5 20 IIBD C[C@@H](O)C[C@@H](C)CNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 525397115 LCMNCCFVZOTKJM-CHWSQXEVSA-N 431.539 4.493 5 20 IIBD COc1ccc(C(=O)NCC(=O)Nc2cccc(CSC3CCCC3)c2)cc1[N+](=O)[O-] 525422179 MNVKTFOYECOBTJ-UHFFFAOYSA-N 443.525 4.148 5 20 IIBD Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1OC(C)C 525590219 GNDWERRYSKKFRU-FQEVSTJZSA-N 425.485 4.242 5 20 IIBD CC(C)c1oc([C@H]2CCCN2S(=O)(=O)c2cccnc2[N+](=O)[O-])nc1-c1ccccc1 530616268 RCQQKLLHLRCHGJ-MRXNPFEDSA-N 442.497 4.294 5 20 IIBD Cc1ccc(S(=O)(=O)N(C)[C@H](c2ccncc2)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 531142169 VIERZBXZMJDFDL-FQEVSTJZSA-N 431.901 4.362 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(C)n1[C@@H]1CCC[C@@H](C)C1 533887732 FZIQMNHZWMGOEB-VNHYZAJKSA-N 433.534 4.374 5 20 IIBD C[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(OCc2cccnc2)cc1 535360296 CMSFDABNNZRURK-MRXNPFEDSA-N 430.464 4.470 5 20 IIBD CC(C)COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)cc1Cl 537547155 GWUPXRSDHAXODK-UHFFFAOYSA-N 433.892 4.372 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1 539446200 CMEGQRHATLEAIL-UHFFFAOYSA-N 431.448 4.449 5 20 IIBD CCn1c(NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)OC)nc2cc(C)ccc21 539462036 YQULXVRZNBLVOS-UHFFFAOYSA-N 442.497 4.180 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1Cc2ccccc2-c2ccccc2C1 539625893 LKNOLMICGSOIBM-UHFFFAOYSA-N 429.476 4.254 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)NCCc1c[nH]c2ccc(Br)cc12 541498237 MNAQQRYRTLQOHM-UHFFFAOYSA-N 434.315 4.290 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 543792964 QZZZFZBQODKEMK-QMMMGPOBSA-N 436.337 4.063 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(-c3cccc(S(=O)(=O)Nc4ccc(F)cc4)c3)n2)cc1 545551122 OWWVDUPYSQYUBR-UHFFFAOYSA-N 440.412 4.252 5 20 IIBD COc1cc(CNc2cnc3c(cnn3C(C)C)c2)c([N+](=O)[O-])cc1OCC(F)(F)F 546057065 YKRAYOXTSHFCQS-UHFFFAOYSA-N 439.394 4.482 5 20 IIBD COc1cc(C(=O)N2CCN(C)C(C)(C)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 555529563 NRCJNSNUUCYDNW-UHFFFAOYSA-N 433.892 4.215 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)NCC2(Sc3ccccc3)CC2)cc1[N+](=O)[O-] 556562537 SAPJLZSKXSVBKJ-UHFFFAOYSA-N 427.526 4.272 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC(c4ccccc4)CC3)n2C[C@H]2CCOC2)c1 559202073 DCGYOSPPEVQDNN-GOSISDBHSA-N 433.512 4.274 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c(C)cc1Br 576965176 AYQNKHLQABRMGC-UHFFFAOYSA-N 448.273 4.279 5 20 IIBD CCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1 576990952 CJXQDAKNODTQIH-UHFFFAOYSA-N 433.420 4.276 5 20 IIBD COc1ccccc1-c1ccc([C@@H](C)Nc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)cc1 600849539 PBOPCPBPMRNXAV-CQSZACIVSA-N 427.482 4.091 5 20 IIBD C[C@@H](Oc1ccc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cn1)c1ccccc1 603729826 SSHYEZAITJOCKF-GOSISDBHSA-N 432.480 4.092 5 20 IIBD CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 604096633 PSRRETWFQNPZJO-FQEVSTJZSA-N 428.460 4.323 5 20 IIBD COc1ccc(CNC(=O)NCc2ccc(CN3CCc4ccccc43)cc2)cc1[N+](=O)[O-] 604105391 QPWLBCQARLWUSN-UHFFFAOYSA-N 446.507 4.166 5 20 IIBD O=C(CCc1ccccc1OC(F)(F)F)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 608933712 NNDMPVZIUANNOH-UHFFFAOYSA-N 426.347 4.226 5 20 IIBD O=C(Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2)c1cc([N+](=O)[O-])cc2c1OCCO2 608941613 UHICQUIYJPFQNN-AWEZNQCLSA-N 437.477 4.347 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 608964351 GYKSIRDNMBXTFD-IBGZPJMESA-N 447.278 4.301 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(CN(C)Cc2ccccc2)CC1 608964544 RYDILVOVHFEHCX-QGZVFWFLSA-N 445.947 4.386 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C 609186173 BSTUTFQAVPKMOE-LBPRGKRZSA-N 431.493 4.247 5 20 IIBD COc1ccc(CC(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)cc1[N+](=O)[O-] 609330899 DQFIOTCHVHHMHF-RUZDIDTESA-N 432.476 4.377 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cc(C(N)=O)ccc3Cl)cc2[N+](=O)[O-])C1 609526754 XBZISMNYQOMZEG-STQMWFEESA-N 430.892 4.082 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N(Cc1cc(F)ccc1F)c1ccccc1 609726735 YLIHVIOCTGDVPL-UHFFFAOYSA-N 439.374 4.014 5 20 IIBD COc1cccc(Oc2ncccc2CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c1 610156210 JCIAXZHAVWTXPB-UHFFFAOYSA-N 427.844 4.303 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](CC(=O)N(C)C)c3cc(Cl)ccc32)c1 610178353 QOQIJVZHZZKBOD-GFCCVEGCSA-N 433.917 4.192 5 20 IIBD CCOc1ccc(NC(=O)CN2CCC(Oc3ccccc3Cl)CC2)c([N+](=O)[O-])c1 611090433 VUGJUWSHEVQPFF-UHFFFAOYSA-N 433.892 4.129 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCc1cccc(OCc2ccccn2)c1 619151972 OTRIEFGYMJKOLN-UHFFFAOYSA-N 434.496 4.013 5 20 IIBD O=C(c1ccc2ccccc2n1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727329066 BHVPQPTZHBOJLM-UHFFFAOYSA-N 430.386 4.124 5 20 IIBD CC(C)(C)OC(=O)NCc1cccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1 727867793 OMRWXYQRGFKMSM-UHFFFAOYSA-N 437.456 4.058 5 20 IIBD C/C=C/c1ccc(OS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c(OC)c1 731215249 SQPXQGAPXQIUIV-ONEGZZNKSA-N 428.260 4.167 5 20 IIBD CCc1ccc(OC(=O)CCC(=O)c2cc(Br)ccc2OC)c([N+](=O)[O-])c1 734739295 FRQDUROPCHIPGU-UHFFFAOYSA-N 436.258 4.497 5 20 IIBD O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](c1ccccc1)N1CCSCC1 741189779 RXIYPHVZNDIQMH-FQEVSTJZSA-N 439.493 4.083 5 20 IIBD COC(=O)Cc1ccccc1OC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 741950024 PYWCUKAQGHZIQO-OAHLLOKOSA-N 435.436 4.098 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 742571693 BIZSJARAUPXYCJ-SFHVURJKSA-N 444.532 4.095 5 20 IIBD C[C@@H](OC(=O)c1ccc(Br)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 743064046 JPEDQLHQHCJLFD-MRVPVSSYSA-N 445.628 4.334 5 20 IIBD CC(C)CO[C@@H](C)c1noc(COC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 744895529 TZTAUCNAHZROJS-LBPRGKRZSA-N 432.458 4.192 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)C1(c2cccc(C)c2)CCCC1 744925854 NJFFIXYVRKQVSG-INIZCTEOSA-N 426.469 4.294 5 20 IIBD Cc1sc(NC(=O)C(C)C)c(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1C 744937368 RFDHCQTUOYWIBN-CYBMUJFWSA-N 447.513 4.360 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1(NC(=O)OC(C)(C)C)CCCCC1 746822618 GOGLYGJKGAAQFJ-UHFFFAOYSA-N 425.913 4.434 5 20 IIBD C[C@@H](c1ccc(F)cc1)N(C)C(=O)COC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 747960707 AGICGNZAACSCHU-ZDUSSCGKSA-N 443.456 4.234 5 20 IIBD COCCCn1c(SC[C@@H](O)c2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1Cl 749639778 RBHVYVLFTSSKNC-GOSISDBHSA-N 448.932 4.369 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 751164354 ISOSBAWUDSFJQN-JYJNAYRXSA-N 437.562 4.227 5 20 IIBD Cn1cc(C(=O)OCc2coc(-c3c(F)cccc3F)n2)c(-c2ccc([N+](=O)[O-])cc2)n1 751687722 CBMNPSJKVOAGLH-UHFFFAOYSA-N 440.362 4.286 5 20 IIBD CC(C)(C)C[C@@H](O)C(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 751770504 DAZLZMCZTSCHIE-MSOLQXFVSA-N 434.876 4.268 5 20 IIBD O=[N+]([O-])c1cccc2c1CCN2Cn1nc(-c2cccnc2)n(Cc2ccco2)c1=S 754776975 XEPQTWYBNYXVGU-UHFFFAOYSA-N 434.481 4.046 5 20 IIBD Cc1c(F)ccc2sc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(Br)c3)nc12 756849465 QPOAYNHTBHJZPK-UHFFFAOYSA-N 446.279 4.215 5 20 IIBD Cc1ccc(-c2cncc(C(=O)OCC3CCN(c4ccc([N+](=O)[O-])cn4)CC3)c2)cc1 757879313 GFWVYGSXNDSLTK-UHFFFAOYSA-N 432.480 4.434 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1ncc(F)cc1F 758591186 DFGRKQVGWLRABE-SFHVURJKSA-N 447.781 4.458 5 20 IIBD Cc1cccc(-n2c(SCc3ccc(Cl)c([N+](=O)[O-])c3)nnc2N2CCOCC2)c1 760150233 JHLISSWPYIBZIL-UHFFFAOYSA-N 445.932 4.266 5 20 IIBD O=C(Nc1cccc(CC[C@H](O)c2ccccc2)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 762988267 FHLAOLJOQMDZFD-NRFANRHFSA-N 434.448 4.285 5 20 IIBD CCOC(=O)Nc1ccc(Br)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1C 764540103 ZTBQXTNTFANXPJ-UHFFFAOYSA-N 436.262 4.415 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC[C@@H]1CCCCN1C(=O)c1cccn1C 765604572 QVSULPNSNATJQL-PMACEKPBSA-N 441.528 4.130 5 20 IIBD O=[N+]([O-])c1ncccc1OS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1 766753699 FQFQWPIIOYCDJF-UHFFFAOYSA-N 435.255 4.187 5 20 IIBD Cc1nccn1CCCOC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 767546852 HUCVTBWTJIHFGD-UHFFFAOYSA-N 445.479 4.128 5 20 IIBD CCO[C@@H](CNc1cc([N+](=O)[O-])c(OC)c(Br)c1[N+](=O)[O-])c1ccccc1 770166138 GSISSYNNQUEFML-AWEZNQCLSA-N 440.250 4.464 5 20 IIBD Cn1c(C(C)(C)NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)nc2ccccc21 771180205 HZFYMVXFEHKIKI-UHFFFAOYSA-N 432.278 4.301 5 20 IIBD O=C(COC(=O)c1ccc(F)c(Cl)c1F)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 773556500 ZRJMQIBAHCZUFK-UHFFFAOYSA-N 438.692 4.341 5 20 IIBD CN(C)C(=O)c1ccc(C(=O)O[C@@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])cc1 774374355 JIYMLXMUKTWAKT-KRWDZBQOSA-N 449.301 4.104 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 777932434 ABHSDPUBKPRBKZ-UHFFFAOYSA-N 445.925 4.050 5 20 IIBD O=C(N1CCO[C@H](c2cccc(Br)c2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 778256470 MEAUZOZDBHDBFZ-INIZCTEOSA-N 441.228 4.049 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCC(n2ccc(C(F)(F)F)n2)CC1 778701701 NRUSONCWBRWEOE-UHFFFAOYSA-N 431.802 4.010 5 20 IIBD Cc1nc(C(C)C)sc1[C@@H](C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 779313701 OYGHXFLBUOJIBP-OLZOCXBDSA-N 437.543 4.454 5 20 IIBD Cc1nc(COC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cs1 779888976 ZWVJDVXQTLKPLE-UHFFFAOYSA-N 425.466 4.014 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N[C@H](C)c2cccc(C)c2C)cc1[N+](=O)[O-] 784708466 AHYQTGPBGBOPAW-CYBMUJFWSA-N 434.290 4.098 5 20 IIBD C[C@@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1OCCCO 794788835 YHYNJXIZWVSORX-XTXQVDMPSA-N 449.301 4.009 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Oc2ccc(CNC(=O)OC(C)(C)C)cc2)c1 796035949 CLVPIXHWVCYJNG-UHFFFAOYSA-N 436.486 4.004 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3c(F)ccc([N+](=O)[O-])c3C)cc2)c(C)c1[N+](=O)[O-] 800146205 OEMSNYZFVBPHFD-UHFFFAOYSA-N 427.392 4.064 5 20 IIBD C[C@H](OC(=O)[C@H](C)Cn1ccc2ccccc21)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 803794082 MWVCERDWJMVNGD-KGLIPLIRSA-N 429.860 4.409 5 20 IIBD COc1ccccc1[C@H](CNc1ncnc2sc([N+](=O)[O-])cc12)NC(=O)OC(C)(C)C 804360564 YORJFQXHADINNE-AWEZNQCLSA-N 445.501 4.286 5 20 IIBD O=C(c1cc(F)cc(Cl)c1O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 807523768 MFXFCGMOMRIRGY-UHFFFAOYSA-N 429.629 4.054 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O 807986316 ICCWKFASUJZRCM-BJJXKVORSA-N 429.286 4.042 5 20 IIBD Cc1cc(S(C)(=O)=O)cc(C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1C 811217428 WENFSUCOLRXJNT-UHFFFAOYSA-N 446.506 4.096 5 20 IIBD CCOc1ccc([C@@H](O)C2CCN(C(=O)c3ccc(SC)c([N+](=O)[O-])c3)CC2)cc1 812670537 KMOSSJVQLQFFHY-OAQYLSRUSA-N 430.526 4.301 5 20 IIBD CN(C)c1cc(F)c(C(=O)OCc2ccc(OCc3ccccn3)cc2)cc1[N+](=O)[O-] 814484851 NADDXTCIZYUOKC-UHFFFAOYSA-N 425.416 4.131 5 20 IIBD CCN(C(=O)COC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)c1nc2ccccc2s1 815405704 GGSCNAMTZNUVKV-UHFFFAOYSA-N 433.873 4.376 5 20 IIBD C[C@@H](Cc1cnc2ccccc2n1)C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 815461528 AAOQHNGCVAQQFC-UONOGXRCSA-N 433.424 4.071 5 20 IIBD C[C@H](c1ccc(F)cc1)N1CCC[C@H](OC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1=O 816405770 XAOURHDADQNZAB-XCLFUZPHSA-N 425.416 4.124 5 20 IIBD COc1ccc(CSCC(=O)O[C@H]2CCN(Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] 816452529 BXRIADASCVEVGW-UTKZUKDTSA-N 444.553 4.290 5 20 IIBD Cc1ccccc1-c1nc(CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)no1 821564995 ZHXVLQAPOXBNPJ-UHFFFAOYSA-N 432.234 4.037 5 20 IIBD Cc1sc2ncn(NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)c(=O)c2c1-c1ccccc1 907595268 UWIGVKQKSZTYEU-XFXZXTDPSA-N 432.461 4.125 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2CCc2ccccc2)cc1Br 917918252 NPPIWNNJLUICJR-OAHLLOKOSA-N 439.331 4.143 5 20 IIBD CSc1cc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccn1 920567060 SEQIFQGNCMTXBV-LLVKDONJSA-N 444.494 4.019 5 20 IIBD O=C(NCc1nc(Cc2ccccc2)no1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 921035762 FAVWNIRRCMFQRG-UHFFFAOYSA-N 430.420 4.291 5 20 IIBD CCOc1cc(-c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)o2)c([N+](=O)[O-])cc1OC 1117235635 YDGSEEQHKIQKML-UHFFFAOYSA-N 448.476 4.167 5 20 IIBD O=C(c1cc(Br)cc(Br)c1O)N1CCc2ccc([N+](=O)[O-])cc21 1120468279 QFAOXOYQHITUQP-UHFFFAOYSA-N 442.063 4.028 5 20 IIBD CCCOc1c(Cl)cc(C(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc1OC 1317994850 YXLAOCZQAPPLCJ-UHFFFAOYSA-N 447.919 4.004 5 20 IIBD O=C(Cc1csc(-c2c(Cl)cccc2Cl)n1)OCCn1cc([N+](=O)[O-])cn1 1318921752 VYTBVWKOGDRCIO-UHFFFAOYSA-N 427.269 4.008 5 20 IIBD COC(=O)c1ccc(OCC(=O)N(CC(F)(F)F)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 1325506480 PXKRUXSIEPIWAP-UHFFFAOYSA-N 446.765 4.009 5 20 IIBD COC(=O)[C@@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1Cl 1339220338 IYHRCHHMTHPTFX-INIZCTEOSA-N 432.841 4.443 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccc([N+](=O)[O-])o4)CCC3)cc2)c[nH]1 1788814532 PDDIGHFVTCYMMD-VQHVLOKHSA-N 434.452 4.285 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc(Cl)o3)cc2)CCC1)c1ccc([N+](=O)[O-])[nH]1 1788881703 MPGBDRAPKNOHPD-UHFFFAOYSA-N 428.832 4.231 5 20 IIBD Cc1ccccc1CCC(=O)NC1(c2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)CCC1 1789691490 JSBWDOZSCKRPKD-UHFFFAOYSA-N 447.495 4.007 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccccc1)c1cc2cc([N+](=O)[O-])ccc2s1 1795615384 RTZRYOVJKCGUFF-REPLKXPHSA-N 449.532 4.304 5 20 IIBD Cc1cccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2ccc(C)c([N+](=O)[O-])c2)c1 1800135835 ZQQDRGWWFVTBIL-NUNAXRQHSA-N 449.551 4.025 5 20 IIBD CC/C=C(\C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)n[nH]1 1821169226 RZKJHRHSFRQPLM-QPEODSHDSA-N 429.452 4.119 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCCCN2C(=O)C2=CCCC2)CC1 1826270813 PSXUSQDRMITWGC-HSZRJFAPSA-N 439.556 4.257 5 20 IIBD O=C([C@@H]1CCC(F)(F)C1)N1CC2(CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 1845738104 AMCVPZIGDCJPDC-CYBMUJFWSA-N 449.479 4.062 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccc(C2SCCS2)cc1 9791219 QJKHDMKFXDRMEI-LBPRGKRZSA-N 448.522 4.266 5 20 IIBD CNc1ccc(C(=O)N[C@@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)cc1[N+](=O)[O-] 18110262 XPEJHWVBWGDYQG-QFIPXVFZSA-N 435.480 4.368 5 20 IIBD O=C(OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1c(Cl)ccc(Cl)c1Cl 21614685 VTSZIAZVHADCTO-UHFFFAOYSA-N 429.643 4.301 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(OC)c(Cc3ccccc3)c2)c([N+](=O)[O-])c1 23395832 ZDDJXCWNQGVAQH-UHFFFAOYSA-N 428.466 4.004 5 20 IIBD COc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2-c2cccs2)c([N+](=O)[O-])c1 23404337 QZFLXOMWWQHYHK-UHFFFAOYSA-N 436.423 4.008 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCCc3ccc(OC(C)C)cc3)cc2)c(C)c1[N+](=O)[O-] 25887701 WAZQZYHMHDCGDL-UHFFFAOYSA-N 436.512 4.216 5 20 IIBD C[C@@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(Br)cc1 28631665 MDNQAWAWZMWKFE-SECBINFHSA-N 427.638 4.195 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NC[C@H]3Cc4ccccc4O3)cc2[N+](=O)[O-])n1 33112344 COVGWXRYJBOARV-OAHLLOKOSA-N 427.507 4.244 5 20 IIBD Cc1cc(C)cc(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 57383012 CNCUBCZSKREIRK-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD CC(C)N(CC(=O)N(C)Cc1cc(Br)cs1)Cc1ccc([N+](=O)[O-])cc1 64350738 XHSLXJHLWJHSGC-UHFFFAOYSA-N 440.363 4.288 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCN(Cc2cccc(Cl)c2)CC1 65085185 XTPZZVRFMQCKLA-UHFFFAOYSA-N 442.928 4.330 5 20 IIBD COc1ccc(-c2cc(NC(=O)CCn3cc([N+](=O)[O-])nc3C)ccc2OC(F)F)cc1 109189132 ZUFDLDIBMWXZLB-UHFFFAOYSA-N 446.410 4.406 5 20 IIBD CC1CCN(C2CCC(Nc3cnn(-c4ccc([N+](=O)[O-])cc4)c(=O)c3Cl)CC2)CC1 301785594 VSBBZJKCFHBQDB-UHFFFAOYSA-N 445.951 4.249 5 20 IIBD C[C@H](c1nc(-c2ccccc2)no1)N1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1 301922657 GPIOKKKFYBDMHU-MRXNPFEDSA-N 430.468 4.076 5 20 IIBD O=C(c1ccc(N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)c([N+](=O)[O-])c1)N1CCOCC1 302118136 CPWRVYMYOJHOAY-KRWDZBQOSA-N 449.429 4.080 5 20 IIBD COc1ccccc1-c1nnc(Sc2ncc([N+](=O)[O-])cn2)n1-c1ccc(Cl)cc1 302140965 DVUIGAUSCUVKDT-UHFFFAOYSA-N 440.872 4.446 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(Cc1ccco1)C[C@H]1CCCO1 426285104 FHSYJFDVRHRACL-QGZVFWFLSA-N 427.379 4.097 5 20 IIBD O=C(O)[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1cc(C(F)(F)F)ccc1F 426720278 LTBHRWQJBKLNFF-KRWDZBQOSA-N 425.338 4.020 5 20 IIBD O=C(c1ccc(Cl)cc1)c1ccccc1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 427800231 GQJTYGGKHYGVST-UHFFFAOYSA-N 438.871 4.153 5 20 IIBD O=C(NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 429187504 ZPXVGMXZSQGYIK-UPVQGACJSA-N 441.503 4.182 5 20 IIBD O=C(NC[C@@H](CO)Cc1cccc(Br)c1)c1cc2cc([N+](=O)[O-])ccc2s1 430120243 GYNNRDVCFYCENF-ZDUSSCGKSA-N 449.326 4.153 5 20 IIBD O=[N+]([O-])c1ccc(/C=C/c2nc(O)c3cnn(-c4cccc(Br)c4)c3n2)cc1 434936599 XSJXOYRIYHMILT-RMKNXTFCSA-N 438.241 4.362 5 20 IIBD O=C(N[C@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccc(O)c([N+](=O)[O-])c1 436980857 ABAPOGWSAFLVQD-QGZVFWFLSA-N 442.269 4.172 5 20 IIBD CCn1c([C@@H]2CCCN2CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)nc2ccccc21 437642805 AAYVLGOMQMRGEN-FQEVSTJZSA-N 437.500 4.139 5 20 IIBD C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H](OC1CCOCC1)c1ccccc1 437825412 VBRZEJBBBBUFFX-HTAPYJJXSA-N 426.513 4.314 5 20 IIBD Cc1ccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1C(=O)NC(C)C 438043428 IMNXYOMDAUOKEO-UHFFFAOYSA-N 440.500 4.117 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1nc(-c2cccs2)cs1 438659743 HBOUJTMGOKGBQY-UHFFFAOYSA-N 430.511 4.156 5 20 IIBD COc1cc(N[C@@H]2CCCN(C(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)C2)cc(OC)c1 439335729 BIQMZBDBVDBBRE-QGZVFWFLSA-N 427.501 4.452 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 439725492 YERPRNAFOWJPHO-LJQANCHMSA-N 431.876 4.243 5 20 IIBD CC(C)c1ccc(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)c2nc[nH]n2)cc1[N+](=O)[O-] 439733942 PBOXSYGOEACXBU-KRWDZBQOSA-N 433.390 4.375 5 20 IIBD O=C(N=c1nc(-c2cccnc2)[nH]s1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 441065075 MIYNCIFBFLFUDS-UHFFFAOYSA-N 435.490 4.334 5 20 IIBD CCCN(C(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1)c1cccc([N+](=O)[O-])c1 441485068 KNPHZUQRWZBQSE-QGZVFWFLSA-N 445.541 4.215 5 20 IIBD COCCN(CCCOc1ccc(F)cc1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 444008692 HHPRLLCOHGSUNT-UHFFFAOYSA-N 448.494 4.378 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCN(C2CCCCC2)CC1 444245468 ORZYNOPNEAYQGC-UHFFFAOYSA-N 425.479 4.050 5 20 IIBD O=c1ccn(Cc2nc(C3(c4cccc(C(F)(F)F)c4)CCCCC3)no2)cc1[N+](=O)[O-] 445518887 DMDDBDFKUGEKEF-UHFFFAOYSA-N 448.401 4.457 5 20 IIBD O=[N+]([O-])c1ccc(SCc2nc(Cc3ccc(OCC(F)(F)F)nc3)no2)cc1 446004567 WCQJAUKKONLCDR-UHFFFAOYSA-N 426.376 4.197 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 446426883 WCOAMENRCZDKAB-NSHDSACASA-N 439.693 4.363 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 447633686 DQMBLTIHRNTDOL-UHFFFAOYSA-N 443.456 4.024 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CC[C@H](COCc4ccccc4)C3)cc2)c(C)c1[N+](=O)[O-] 460510110 JIYHDDBMTVHMCU-QFIPXVFZSA-N 448.523 4.135 5 20 IIBD CCO[C@@H]1C[C@@H](NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C12CCCCC2 461543178 HRMBRWXCANMXEB-IAGOWNOFSA-N 428.432 4.063 5 20 IIBD COc1cccc([C@@H]2CCCN2c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCOC2)c1 461645648 IFTAJVZKWGLZHE-JTSKRJEESA-N 449.511 4.240 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1nc(-c2ccc3nc(-c4cscn4)[nH]c3c2)no1 463161954 OLFOVKRQBXNBJE-UHFFFAOYSA-N 433.453 4.299 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCCN(CCCc2ccccc2)CC1 463624964 ZXVCRUQLUTUDCP-UHFFFAOYSA-N 435.446 4.394 5 20 IIBD CC(C)n1c([C@H]2CCCN(C(=O)CN(C)c3ccccc3[N+](=O)[O-])C2)nc2ccccc21 463836475 LLTQTBLDBDNOSW-SFHVURJKSA-N 435.528 4.368 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1 464053538 SARKXSXEBZCKQS-KRWDZBQOSA-N 448.479 4.002 5 20 IIBD CC(C)(CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)Cc1cccc(Cl)c1 465046363 LTOGSVNVAARPAR-INIZCTEOSA-N 449.960 4.299 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 466742193 DUYNFKDHBFMZEA-KHDMTIDOSA-N 427.888 4.037 5 20 IIBD Cc1cc(F)ccc1N(Cc1ccco1)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 466994858 MZIMKLFXHVPRLR-UHFFFAOYSA-N 426.400 4.182 5 20 IIBD CCN(CC1CCN(c2ccccn2)CC1)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl 467212978 BCWBZWWABMGLBI-UHFFFAOYSA-N 431.924 4.091 5 20 IIBD O=C(NCCn1cnnc1C1CC1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 467787617 KYCDSUBKUMRFRV-UHFFFAOYSA-N 443.916 4.298 5 20 IIBD COC(=O)[C@H]1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)[C@H]1C 470052937 FSFYKWXWMNXFKQ-WFASDCNBSA-N 448.859 4.073 5 20 IIBD Cc1c(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cccc1C(=O)Nc1ccccc1 470337692 MPLJYAYPICAIDP-UHFFFAOYSA-N 446.463 4.451 5 20 IIBD C[C@H]1CN(c2cccc3cnccc23)CCN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 470424675 HGTYLKWFSRJCBB-AWEZNQCLSA-N 442.422 4.095 5 20 IIBD CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccc(-c2ccccc2)nn1 472013346 OZORQMQZFPAWDM-UHFFFAOYSA-N 427.258 4.020 5 20 IIBD COC(=O)COc1ccc(CN[C@H](C)c2nc(-c3ccccc3)cs2)cc1[N+](=O)[O-] 474367571 DXXXHTROOIVDCW-CQSZACIVSA-N 427.482 4.121 5 20 IIBD Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1I 478007827 ZSBMCGLATAFRDA-UHFFFAOYSA-N 448.220 4.150 5 20 IIBD CC(C)(NC(=O)NC1CCN(c2nc3ccccc3s2)CC1)c1ccc([N+](=O)[O-])cc1 479808854 XGRKNGSETNFUBG-UHFFFAOYSA-N 439.541 4.408 5 20 IIBD O=C(Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])C1CCC(NC(=O)C2CC2)CC1 484204830 VCGGVUVJTVVUTC-UHFFFAOYSA-N 437.496 4.197 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N[C@H]2CC[C@H](c3ccccc3F)C2)cc1[N+](=O)[O-] 484876362 QMRDSSXRWWJMEQ-ZFWWWQNUSA-N 441.488 4.080 5 20 IIBD O=C(NCCN1CCc2sccc2C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 485774196 YRCIOHPHIARPJT-UHFFFAOYSA-N 437.521 4.023 5 20 IIBD Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1C 485858259 WTDCIEFSIMZBPR-UHFFFAOYSA-N 436.859 4.489 5 20 IIBD COC(=O)[C@@H](C)Sc1ccccc1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 486753174 VRHPEAMVSFRQDV-LLVKDONJSA-N 442.415 4.197 5 20 IIBD Cc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1[N+](=O)[O-] 488107805 NJNLIRUSWBVMRC-INIZCTEOSA-N 439.493 4.195 5 20 IIBD COc1ccccc1COC1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 488295024 SEIJUIJHWBPZJI-UHFFFAOYSA-N 447.919 4.190 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2CCC[C@H](CSC)C2)c([N+](=O)[O-])c1 488927249 XGUVTWWMXZQSMP-HNNXBMFYSA-N 428.510 4.192 5 20 IIBD CC(C)CCSc1ccc(C(=O)NC2CCN([C@H]3CCCC[C@H]3O)CC2)cc1[N+](=O)[O-] 491881996 SFFWQNYEWXSTRC-PZJWPPBQSA-N 449.617 4.231 5 20 IIBD CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 493158651 RKVBHYLHIJWPDW-RXVVDRJESA-N 425.533 4.055 5 20 IIBD COc1ccc(NC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)c([N+](=O)[O-])c1 495673498 VPMFFIRYSZABNK-UHFFFAOYSA-N 441.513 4.080 5 20 IIBD O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1ccc([N+](=O)[O-])c2cccnc12 498140334 MUORHSCMRYCKRQ-CYBMUJFWSA-N 446.385 4.050 5 20 IIBD O=C(Cc1cc(F)ccc1Br)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 498159448 NOQVKEOLFUBJLJ-KRWDZBQOSA-N 425.279 4.313 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@@H](C)c3ccc4c(c3)CCC(=O)N4)cc2[N+](=O)[O-])CC1 500069438 QKZCUZWPQUOGQJ-INIZCTEOSA-N 436.512 4.207 5 20 IIBD COc1cccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1OC1CCCC1 500159065 SETWSFMCRKOAHV-UHFFFAOYSA-N 440.905 4.057 5 20 IIBD C[C@H](Nc1ccc(CC(=O)N2CCc3ccccc32)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 501966804 DAOBJUIUFPFJNP-KRWDZBQOSA-N 444.491 4.166 5 20 IIBD COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 505564012 CBYOFTAVZSSTNF-UHFFFAOYSA-N 446.419 4.170 5 20 IIBD O=C(Nc1ccc(Cl)c(OC(F)F)c1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 505627517 DIXWWHFXQNJSEV-NSHDSACASA-N 445.831 4.154 5 20 IIBD COC(=O)[C@]1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C[C@H]1C 506049576 PPWZMEVQEFNMPB-JLCFBVMHSA-N 445.903 4.132 5 20 IIBD CCOc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1[N+](=O)[O-] 508014051 UYEHVDQNBITSNL-MRXNPFEDSA-N 440.431 4.202 5 20 IIBD CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 509398244 BVHYMMVFCASSMU-CTNGQTDRSA-N 447.322 4.392 5 20 IIBD C[C@@H](c1ccccc1)N(C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 510536420 DJNIMJLABYDTTB-LBPRGKRZSA-N 425.304 4.272 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CCC(C)(c3ccccc3)CC2)ccc1[N+](=O)[O-] 511178996 XPGNSCAPLKWXSA-QFIPXVFZSA-N 435.524 4.088 5 20 IIBD Cc1ccc(-n2ncc(C(=O)N(C)CCc3cccc([N+](=O)[O-])c3)c2C(F)(F)F)cc1 512972133 BERUMUSFBKALNP-UHFFFAOYSA-N 432.402 4.422 5 20 IIBD O=C(Nc1cc(Br)cnc1OCC(F)(F)F)c1ccc([N+](=O)[O-])cc1F 513407853 ISCMXRCJQARAPP-UHFFFAOYSA-N 438.131 4.085 5 20 IIBD Cc1cc(F)ccc1N1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 515439907 NQTUQFQPCFCLDG-AWEZNQCLSA-N 425.382 4.460 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)ccc1-n1cncn1 522019815 OFFSSMUIBJZDOM-UHFFFAOYSA-N 436.653 4.152 5 20 IIBD CC(C)(C)N1CCC(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CC1 522937068 TVARZPWWYWNJIM-UHFFFAOYSA-N 440.331 4.080 5 20 IIBD O=C(COc1ccc(Oc2ccccn2)cc1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 523833246 MYBOXLSTLSCPTG-UHFFFAOYSA-N 431.408 4.190 5 20 IIBD COc1cc(CNc2ccc(N3CCCC3=O)cn2)ccc1OCc1ccc([N+](=O)[O-])cc1 532497139 NCPTYCUNTXUOQM-UHFFFAOYSA-N 448.479 4.316 5 20 IIBD Cc1cc(C)n2nc(SCc3ccccc3C(=O)N(C)c3cccc([N+](=O)[O-])c3)nc2n1 532826022 NRXOVHGGTLKXKV-UHFFFAOYSA-N 448.508 4.218 5 20 IIBD O=C(Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O)Nc1c(Cl)cc(Cl)cc1Cl 534399487 KZYHGJKPYFEWDS-UHFFFAOYSA-N 443.630 4.010 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(NC(=O)NCc2ccco2)cc1 535333165 NXBRVOFCGFYBIU-UHFFFAOYSA-N 433.424 4.172 5 20 IIBD CC(=O)Nc1cccc(NC(=O)CSCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1 535509240 XOHXRWDQOWASSX-UHFFFAOYSA-N 426.454 4.080 5 20 IIBD CCOc1cc(-c2nc3cnccc3[nH]2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 536143247 YCTMAJUPSOGPFF-UHFFFAOYSA-N 448.435 4.377 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NC[C@@H]2CCO[C@H](C)C2)cc1[N+](=O)[O-] 536148362 CBQFDLDPQOOYAL-HUUCEWRRSA-N 428.510 4.093 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN[C@@H](CC(F)(F)F)c1ccc(F)cc1 539275490 GQCRJKVDUYENOA-HNNXBMFYSA-N 427.354 4.315 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3 539640153 WGKIUWKESXBOTI-UHFFFAOYSA-N 438.509 4.395 5 20 IIBD COC(=O)c1ccoc1CSc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1O 539970820 BQYODGSBCDKTQZ-UHFFFAOYSA-N 428.422 4.225 5 20 IIBD CS[C@@H]1C(=O)Nc2ccc(-c3noc(-c4ccc(N5CCCC5)c([N+](=O)[O-])c4)n3)cc21 545083906 GSAMMQZSHLFJRS-SFHVURJKSA-N 437.481 4.268 5 20 IIBD O=C(c1ccc(Cl)cc1)N1CCC[C@H](c2nc(Cc3ccccc3[N+](=O)[O-])no2)C1 545534649 XXVOHDLBBGCXGN-INIZCTEOSA-N 426.860 4.242 5 20 IIBD Cc1nn(Cc2ccc(-c3nc([C@@H]4CCOc5ccccc54)no3)cc2)c(C)c1[N+](=O)[O-] 545690735 WGUBJDTZWQOEDC-LJQANCHMSA-N 431.452 4.421 5 20 IIBD CCO[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)[C@@]12CCCO2 546054215 RSADRULCMQVERN-SJBKTWHCSA-N 434.558 4.334 5 20 IIBD COc1cc(OC)c(-c2noc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2)cc1OC 546245939 PHYRTYZLILJDBH-UHFFFAOYSA-N 425.319 4.356 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(F)c1N1CCOCC1 548928015 PMWMHKYLJCWJNO-UHFFFAOYSA-N 436.871 4.055 5 20 IIBD O=C(Nc1ccccc1)[C@@H]1CCc2ccccc2N1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 555066640 SHDJHQBJQMZGNC-NRFANRHFSA-N 441.447 4.071 5 20 IIBD COC(=O)c1ccc(Br)c(C)c1NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 558910014 FSGFAIYEVVJMEF-UHFFFAOYSA-N 437.246 4.022 5 20 IIBD CCOc1ccc(-c2nc(CC)c(-c3nc(-c4c([N+](=O)[O-])ncn4C)no3)s2)cc1 564274996 QNGOLPKPDWCSMS-UHFFFAOYSA-N 426.458 4.130 5 20 IIBD O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 565485035 NWAMYUMRLTYIAH-RDTXWAMCSA-N 440.443 4.379 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2c2nc(-c3ccnc(OC4CCC4)c3)no2)ccc1[N+](=O)[O-] 573485797 XVQZXIYHJIWHHX-LJQANCHMSA-N 449.467 4.257 5 20 IIBD C[C@H](Oc1ccc2ccccc2c1)c1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 574000636 KNXMULCIVVENMX-HNNXBMFYSA-N 432.436 4.130 5 20 IIBD Cc1ccc(F)cc1C1(c2noc(CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)n2)CC1 580427352 QTVWKKFBWLLOKM-UHFFFAOYSA-N 438.415 4.046 5 20 IIBD COc1cc(CCNC(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)c([N+](=O)[O-])cc1OC 603574014 HORFXVYYWWVBJM-UHFFFAOYSA-N 437.496 4.335 5 20 IIBD COCCOc1ccc(CNC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1 603880575 PSKVGLJWJFCBMY-QZTJIDSGSA-N 441.528 4.032 5 20 IIBD O=C(Nc1ccc(-n2cccn2)c(Cl)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 608945455 ARGKFIOJSGNCRU-UHFFFAOYSA-N 425.876 4.289 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 608962964 MLEUCTTZCBVWKX-BBATYDOGSA-N 443.258 4.408 5 20 IIBD COC(=O)c1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c(OCC(F)(F)F)c1 609066616 HQIBKAAJDPTTID-UHFFFAOYSA-N 444.387 4.053 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CN[C@H](Cc3ccccc3)[C@H](O)C(F)(F)F)cs2)c1 609707712 UUQOCVQJGGFWMN-MSOLQXFVSA-N 437.443 4.342 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCOc1ccc(Cl)cc1Br 609749853 CXCLQXPBMXMSJB-UHFFFAOYSA-N 427.638 4.388 5 20 IIBD O=C(CCN1CCCCC1)Nc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c1 609786590 WSBJTIGTBDMWTN-UHFFFAOYSA-N 444.919 4.244 5 20 IIBD Cc1ccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c(OCCN(C)C)c1 609979510 HWVJCWIEGAZUTE-UHFFFAOYSA-N 426.498 4.219 5 20 IIBD O=[N+]([O-])c1cccc(-c2ncn(Cc3ncc(-c4ccccc4Br)o3)n2)c1 610218204 BZBXUWDBUGCHLF-UHFFFAOYSA-N 426.230 4.319 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 610597951 LKDCIGVTUFAWNB-RYUDHWBXSA-N 425.329 4.008 5 20 IIBD C[C@@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 610649469 VYTRPWLWUUHKEK-QGZVFWFLSA-N 438.505 4.335 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1nc2c(s1)CCN(Cc1ccccc1)C2 611146479 DKRZKSPILXMLCN-UHFFFAOYSA-N 447.520 4.272 5 20 IIBD Cn1cc(CN2CCc3sc(Br)cc3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 611275997 NCSHAKPVKVCQBM-UHFFFAOYSA-N 433.331 4.378 5 20 IIBD O=C(NCC1(CCOCc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1Br 702904185 XCQIRMTTZUBNNT-UHFFFAOYSA-N 433.302 4.474 5 20 IIBD O=C(NCc1ccnc(OCc2ccccc2)c1)c1cc([N+](=O)[O-])ccc1Br 725908254 HHSSJEUTCNTDKX-UHFFFAOYSA-N 442.269 4.261 5 20 IIBD C[C@@H](NC(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1ccccc1 727296313 LNWUUDXBSIGIDR-OAHLLOKOSA-N 447.447 4.109 5 20 IIBD O=C(c1nccc2ccccc12)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727399426 GRJMGZPMTOLFFV-UHFFFAOYSA-N 430.386 4.124 5 20 IIBD COCc1ccccc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727588981 CGBKNQHSDKNCRH-UHFFFAOYSA-N 438.406 4.114 5 20 IIBD CCN(Cc1cccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1)C(=O)C(F)(F)F 727806654 WKAXRHWIFHJQEY-UHFFFAOYSA-N 429.782 4.411 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2ccc(Cl)nc2N)c2ccccc2)c([N+](=O)[O-])c1 729292182 YWKLMYCIAOSRLC-GOSISDBHSA-N 440.843 4.071 5 20 IIBD Cc1ncccc1C(=O)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 731096308 KNOFQAXCOCBJEE-LJQANCHMSA-N 425.828 4.488 5 20 IIBD CN(CCOc1cccc(CNc2nc3ccc([N+](=O)[O-])cc3s2)c1)C1CCOCC1 731210010 JCIUGQMBPIULDI-UHFFFAOYSA-N 442.541 4.306 5 20 IIBD C[C@@H](OC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 731529575 YNZQVBOCGSIEMG-OAHLLOKOSA-N 438.411 4.497 5 20 IIBD O=C(Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)c1cc(F)c(F)cc1[N+](=O)[O-] 734790017 XEPSXKSBHIAHSF-UHFFFAOYSA-N 446.431 4.240 5 20 IIBD CC(C)(C)c1ccc([C@H](O)CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 734870724 RLRHSSWUHPFJFA-GOSISDBHSA-N 440.418 4.297 5 20 IIBD CC(C)(C)c1ccc([C@@H](O)CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 734872406 JXRHATLTZOUBPB-QFIPXVFZSA-N 425.529 4.346 5 20 IIBD CCC[C@@H](NC(=O)[C@H](C)OC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1ccccc1 735353519 JBYJDYHEIMJTRF-IFXJQAMLSA-N 437.452 4.052 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(F)cc2C(F)(F)F)c(Br)c1 738404476 WTJYFWDFIDPPFS-UHFFFAOYSA-N 444.156 4.283 5 20 IIBD CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1Br 739567295 MGIFEHKNRWRJNB-UHFFFAOYSA-N 444.326 4.171 5 20 IIBD Cc1ccc(N2CC[C@H](NC(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)C2=O)cc1 741723486 WLOHWOGGIDBKRL-QFIPXVFZSA-N 444.491 4.051 5 20 IIBD CN(C[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C 742580260 CHBFFYCJIXSOHX-CYBMUJFWSA-N 445.438 4.333 5 20 IIBD C[C@H](OC(=O)[C@@H](C)c1cccc(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 745364535 HLUCROUJTOEPQU-QWRGUYRKSA-N 428.338 4.427 5 20 IIBD CC(C)Cc1nc(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cs1 745861144 FKYDCWHAOVTCHL-KRWDZBQOSA-N 445.541 4.492 5 20 IIBD O=C1/C(=C\c2ccccc2)N=C(SCCn2cc([N+](=O)[O-])cn2)N1c1ccc(F)cc1 746388491 AIFZLYHXMIQVOY-XDHOZWIPSA-N 437.456 4.108 5 20 IIBD Cc1c(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748617337 GWDJQHDTKAVDGY-UHFFFAOYSA-N 440.437 4.431 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCc1ccc(Oc2cccc(F)c2)nc1 749247949 ARNHWKNSISFYSC-UHFFFAOYSA-N 442.359 4.228 5 20 IIBD CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C[C@H](O)c1cccc([N+](=O)[O-])c1 750038546 WJAMSDJHRCQHOW-SFHVURJKSA-N 426.300 4.286 5 20 IIBD O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1ccccc1Oc1cccnc1 750433828 ATSBYQKVJOMMEJ-UHFFFAOYSA-N 434.452 4.251 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CCN(c2cccs2)CC1 750903902 AGJDDAGOIGYUOH-UHFFFAOYSA-N 430.711 4.035 5 20 IIBD Cc1c(C(=O)N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 752439309 PKMFAVYJWXFAIN-LLVKDONJSA-N 445.819 4.314 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H](O)c1cccc(C(F)(F)F)c1 752562674 BHEOLVSNYOUNBB-AWEZNQCLSA-N 434.823 4.209 5 20 IIBD COc1cc(C(=O)N2CCC[C@H](N(C)c3ccc(C)cc3)C2)c([N+](=O)[O-])cc1OC(F)F 753048371 COGXFDAYJDUDPF-INIZCTEOSA-N 449.454 4.254 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2ccc(N3CCO[C@@H](C)C3)cc2)cc1[N+](=O)[O-] 753159262 QAPKQZPSSWAXNW-LBPRGKRZSA-N 434.290 4.143 5 20 IIBD C[C@@H](OC(=O)CCC(=O)c1cc(Cl)sc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1 756619007 VPQCGTLZEDNWGO-SECBINFHSA-N 445.280 4.496 5 20 IIBD C[C@H](OC(=O)c1ccc(F)cc1[N+](=O)[O-])C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 758113875 JLGGKPYXDOXEHV-ZJUUUORDSA-N 429.231 4.463 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ncc(F)cc1F 758590814 BVNKXBGFBNWBAA-SFHVURJKSA-N 447.781 4.458 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@@](C)(OC)c3ccccc3F)CC2)ccc1[N+](=O)[O-] 759519840 GJPOHLLYUWFWAM-QHCPKHFHSA-N 446.475 4.206 5 20 IIBD COC(=O)[C@@H](C)Sc1ccccc1C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760502663 DRFHRUNBORITGM-CYBMUJFWSA-N 442.449 4.260 5 20 IIBD O=C(Nc1nnc([C@@H]2CCCc3ccccc32)s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 762515213 TZTOZXKNXDYAGA-MRXNPFEDSA-N 425.426 4.075 5 20 IIBD CCc1ccc(NC(=O)c2nnc(COC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)s2)cc1 763420398 NVPWWHVUOCORFF-CYBMUJFWSA-N 440.481 4.108 5 20 IIBD O=[N+]([O-])c1ccc([C@H](O)CN[C@@H](Cc2ccccn2)c2ccc(Br)cc2)cc1 765850641 YPMASWDRXHAERD-LEWJYISDSA-N 442.313 4.359 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)CSc2nccc3ccccc23)cccc1[N+](=O)[O-] 767415251 VKOCDIVLGLOAMZ-CQSZACIVSA-N 425.466 4.114 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F 769886481 HDPUEKCGDALUJD-JTQLQIEISA-N 444.847 4.341 5 20 IIBD CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 770323273 GFNCBZYKSUCUSM-UHFFFAOYSA-N 431.246 4.194 5 20 IIBD O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)c1cc(Br)cc([N+](=O)[O-])c1 771022820 OTEGBGQYKJXCRY-CYBMUJFWSA-N 434.073 4.128 5 20 IIBD CC[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@H](O)c1c(F)cccc1F 771706429 XIPDLCABNMFLHJ-CLOONOSVSA-N 436.458 4.061 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)ccc1NC(=O)OC(C)(C)C 772286897 KHGHWOITZCGOGQ-UHFFFAOYSA-N 447.419 4.185 5 20 IIBD Cc1nc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)sc1Cc1ccc(F)cc1F 775168230 ODSYECGJPIJLQK-UHFFFAOYSA-N 431.467 4.091 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 775169790 JNXUATSBKDYZAX-FMYZQTRCSA-N 435.249 4.110 5 20 IIBD CC(C)(C)OC(=O)N1CCC(CCC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 778035309 LXBCQLAMWMUVQE-UHFFFAOYSA-N 439.940 4.334 5 20 IIBD C[C@@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 779072695 LCACMEHHDHOOFZ-ZBFHGGJFSA-N 447.333 4.389 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1cc([N+](=O)[O-])ccc1OC(F)F 779359818 CIESUCBCLMJYOK-UHFFFAOYSA-N 432.133 4.119 5 20 IIBD CCC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)C(=O)N1CCc2sccc2C1 779425973 YCNCNFWLCKBLIG-OAHLLOKOSA-N 436.921 4.185 5 20 IIBD Cc1ccc(C(F)(F)C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 780189910 KGJKERJOKHWZKC-UHFFFAOYSA-N 432.301 4.196 5 20 IIBD O=C(Nc1cccc(-n2ccnc2O)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 780416814 RSISXTRZKGFKBE-UHFFFAOYSA-N 432.386 4.103 5 20 IIBD CC(=O)c1ccc(O)c(CCOC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 781255996 IKLGZHQTOKOADY-UHFFFAOYSA-N 437.398 4.267 5 20 IIBD O=C(COC(=O)c1cc(Cl)ncc1Cl)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 781365800 GSGCQFSCFYVADO-UHFFFAOYSA-N 438.145 4.111 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 783946096 NFOSNUIFRWRVKK-CYBMUJFWSA-N 443.953 4.104 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Oc1c(F)cc(F)cc1Br 784380384 SAZAWJUNRXQYET-UHFFFAOYSA-N 428.594 4.057 5 20 IIBD CC[C@H](Oc1ccccc1F)C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 786523540 PZZFGFGZXKDAQP-HNNXBMFYSA-N 444.337 4.092 5 20 IIBD CC(=O)c1sc2[nH]c(CSc3nc4ccc([N+](=O)[O-])cc4s3)nc(=O)c2c1C 788009448 SREOYKLKQXCLAC-UHFFFAOYSA-N 432.508 4.306 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccnn2Cc2ccccc2Br)c1F 788135176 XGRDIXNPPAYUCR-UHFFFAOYSA-N 433.237 4.302 5 20 IIBD Cc1cc(C)c(N2CC[C@H](OC(=O)c3cc([N+](=O)[O-])ccc3Br)C2=O)c(C)c1 789041819 ZINIVEKLIVAFJN-KRWDZBQOSA-N 447.285 4.245 5 20 IIBD O=c1c2ccccc2c(-c2ccc(F)c(F)c2)nn1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 789588428 MLFIXIHAMNYKAL-UHFFFAOYSA-N 438.346 4.206 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 790276551 UCQJVEMFXNJZAJ-MRXNPFEDSA-N 442.802 4.214 5 20 IIBD CCc1[nH]nc(C(=O)OCc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)c1[N+](=O)[O-] 795614845 SSYAUPAKVBZEBM-UHFFFAOYSA-N 449.876 4.032 5 20 IIBD O=C(NCCc1cccc(OCC(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1Br 797357202 XDNQWTCXVKFBIG-UHFFFAOYSA-N 447.207 4.271 5 20 IIBD Cc1cc(OCC(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)ccc1[N+](=O)[O-] 797494910 JFFCTSTVHZNERP-UHFFFAOYSA-N 447.658 4.424 5 20 IIBD O=C(OCc1cc(=O)n2ccsc2n1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 799315310 BPIADLCEXVUBAH-UHFFFAOYSA-N 439.474 4.172 5 20 IIBD COc1ccc(COc2cccc(F)c2)cc1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N 801858870 PYOGCSTYAXUYEC-UHFFFAOYSA-N 429.379 4.295 5 20 IIBD COCC[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 803626261 QKXMYPYQMYYAOZ-INIZCTEOSA-N 428.228 4.317 5 20 IIBD COc1ccccc1[C@@H](CNc1ccc([N+](=O)[O-])c(C(C)=O)c1)NC(=O)OC(C)(C)C 804360180 SBSQFTQREOWIFZ-GOSISDBHSA-N 429.473 4.484 5 20 IIBD CN(C(=O)OC(C)(C)C)C1(COC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 806056172 SFKRRNCGUSOULR-UHFFFAOYSA-N 433.486 4.275 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2c2nc(-c3ccc(C)c([N+](=O)[O-])c3)no2)ccc1[N+](=O)[O-] 809300803 FXAYOIYFNHDKDH-KRWDZBQOSA-N 437.412 4.147 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)OCCc2cncs2)cc1[N+](=O)[O-] 811123178 KTCRDEVWFAZBFM-UHFFFAOYSA-N 428.491 4.404 5 20 IIBD O=C(OCCc1cnc2c(Br)cnn2c1)c1cc2cc([N+](=O)[O-])ccc2s1 811167172 GFIBPSLHCFWMKV-UHFFFAOYSA-N 447.270 4.014 5 20 IIBD C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811215979 GPVIKYMAUYHOTH-CYBMUJFWSA-N 435.502 4.265 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811217972 JQUCRLXWAYQBFU-UHFFFAOYSA-N 428.426 4.172 5 20 IIBD Cc1cc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c(C(=O)NCC(F)(F)F)cc1F 813290064 QNEXIWLDSJFEDM-UHFFFAOYSA-N 433.745 4.240 5 20 IIBD C=C1c2ccccc2C(=O)N1CCC(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 813304636 FWDWAVCVHVVUHL-UHFFFAOYSA-N 435.461 4.278 5 20 IIBD CC(C)(C(=O)N1CCO[C@H](c2ccccc2Br)C1)c1ccccc1[N+](=O)[O-] 814107503 KHEFMXZXLJBNIV-SFHVURJKSA-N 433.302 4.235 5 20 IIBD Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 823287433 MRHOODKDDSXQMX-UHFFFAOYSA-N 431.876 4.342 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc([N+](=O)[O-])c1 871590128 FNKRRLNCSYFTMW-UHFFFAOYSA-N 442.409 4.056 5 20 IIBD Cc1sc2ncn(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])c(=O)c2c1-c1ccccc1 907608974 PEVZLFGSNFCGGQ-UHFFFAOYSA-N 440.868 4.379 5 20 IIBD O=C1CCCN1Cc1ccccc1CNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 914863607 WKKAIDGJOBXRNR-UHFFFAOYSA-N 438.362 4.256 5 20 IIBD Cc1c(CSc2nnc(COc3c(Cl)cccc3Cl)n2N)cccc1[N+](=O)[O-] 915794155 KKNPZVXXAFVSQO-UHFFFAOYSA-N 440.312 4.387 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1[N+](=O)[O-])c1ccccn1 919686597 QFEITMYWAKAJHC-GFCCVEGCSA-N 425.376 4.463 5 20 IIBD CC(=O)CCc1ccc2oc(C(=O)N3CCN(Cc4cccc([N+](=O)[O-])c4)CC3)c(C)c2c1 1251406334 IUCKXQAGQVYHAD-UHFFFAOYSA-N 449.507 4.129 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)c(C)s1 1256377152 WQHAZCBEFJHZAQ-UHFFFAOYSA-N 437.481 4.205 5 20 IIBD O=C(c1ccccc1SC(F)(F)F)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1318030250 HJTHBWNVNAIWMD-UHFFFAOYSA-N 425.432 4.165 5 20 IIBD CC[C@H](C)n1c(SCC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)nnc1-c1ccccc1 1318739720 HOYGHNDETWJYJR-HNNXBMFYSA-N 437.525 4.459 5 20 IIBD Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2ccc([N+](=O)[O-])cc2Br)o1 1320533813 QFLXESXPBCJEAM-SFHVURJKSA-N 429.274 4.348 5 20 IIBD COc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1Br 1320627690 GZVRIMWBXLYOCY-UHFFFAOYSA-N 444.079 4.310 5 20 IIBD COc1cc(OCC(=O)Nc2cc(F)ccc2NC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] 1321630456 XUGGOAUIIWPOQP-UHFFFAOYSA-N 435.408 4.107 5 20 IIBD CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 1340881390 KHCXFWFWMUQFJJ-INIZCTEOSA-N 449.301 4.040 5 20 IIBD CC(=O)CCC(=O)Nc1ccc(C2(NC(=O)c3c(F)ccc([N+](=O)[O-])c3C)CCC2)cc1 1787693062 MOSKPNRFCCSUEI-UHFFFAOYSA-N 441.459 4.159 5 20 IIBD Cc1cccnc1C(=O)NC1(c2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc2)CCC1 1790755180 IBWSSDPVQVCWJI-UHFFFAOYSA-N 446.463 4.065 5 20 IIBD O=C(Cc1cc(F)ccc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/C1CCCCC1 1800124880 DKLKTKRBSMYZEB-VFICEKILSA-N 443.519 4.051 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCCC2(CCN(C(=O)c3cccc(F)c3Cl)CC2)C1 1804650965 BYYJZELKVCFPKR-UHFFFAOYSA-N 449.866 4.139 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCCC2(CCN(C(=O)c3cccs3)CC2)C1 1806490761 WVXPWTASIAFOTD-UHFFFAOYSA-N 441.553 4.134 5 20 IIBD Cc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C(C)C)CC2)cc(Cl)cc1[N+](=O)[O-] 1826305649 OSTJYKNLHHDVFK-IBGZPJMESA-N 435.952 4.446 5 20 IIBD O=C(c1ccccc1Cl)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 1829834200 FFHMEGMHJCFQOE-IBGZPJMESA-N 444.919 4.123 5 20 IIBD Cc1occc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830493370 JSJWPHXHMBUKRP-NRFANRHFSA-N 443.475 4.182 5 20 IIBD CC/C=C(\C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830615465 GPGTZGAITMLFBW-WZOILOKLSA-N 431.508 4.324 5 20 IIBD O=C(CC1CCC1)N1CCC([C@H]2CCCCN2C(=O)Cc2cc(F)ccc2[N+](=O)[O-])CC1 1832888723 LSGPXKRZFOKVEI-OAQYLSRUSA-N 445.535 4.086 5 20 IIBD C[C@H](C(=O)N1CCCC12CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C2)c1ccc(Cl)cc1 1841198994 JUKBYLXGQNPIQQ-AWEZNQCLSA-N 445.878 4.008 5 20 IIBD Cc1c(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccccc3)C2)cc(Cl)cc1[N+](=O)[O-] 1842734190 NKYCPZPZNLIJKL-CMDGGOBGSA-N 439.899 4.087 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2ccc3nccnc3c2)c2ccccc2)c([N+](=O)[O-])c1 9215319 CPJVBTVRCRCWGA-JOCHJYFZSA-N 442.431 4.383 5 20 IIBD C[C@H](OC(=O)COc1ccc2ccccc2c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 10592552 FVIZIMDSMHHENC-ZDUSSCGKSA-N 428.828 4.351 5 20 IIBD O=c1c2ccccc2n2c(S/C=C/c3ccc([N+](=O)[O-])o3)nnc2n1Cc1ccccc1 14901869 QSUHTANCYIIDCH-OUKQBFOZSA-N 445.460 4.357 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)ccc1C 18657958 AFQGQYJEEPPGHE-LLVKDONJSA-N 426.347 4.115 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 18940610 OSTRORNFWSTEER-UHFFFAOYSA-N 446.506 4.131 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1cccc([N+](=O)[O-])c1)n2CC 21107439 YOXKDZHBYZOGIR-UHFFFAOYSA-N 448.570 4.287 5 20 IIBD Cc1c(NC(=O)[C@H](C)Sc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cccc1[N+](=O)[O-] 21574243 HJVMNEIWZWXSRK-NSHDSACASA-N 444.538 4.199 5 20 IIBD CC1CCN(c2ccc(C(=O)NCCc3nccn3Cc3ccccc3)cc2[N+](=O)[O-])CC1 26216156 LRZLDVNXDMXQOC-UHFFFAOYSA-N 447.539 4.048 5 20 IIBD NC(=O)c1ccc(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c([N+](=O)[O-])c1 26399428 OTVIHUSVGUSSOO-UHFFFAOYSA-N 434.688 4.385 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3F)c2)cc1[N+](=O)[O-] 29917205 MSAHFHOECIYFOD-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD CC1(C)CN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)CCO1 30195474 DDAFADXTDITOLC-SFHVURJKSA-N 448.317 4.148 5 20 IIBD COCCn1c(S[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nc2cc(Cl)ccc21 32881603 PTOHNSNXVUQJBB-LBPRGKRZSA-N 434.905 4.364 5 20 IIBD CCN(C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)c1cccc2ccccc12 71885167 AYZMEUMBWWBUER-UHFFFAOYSA-N 428.448 4.269 5 20 IIBD CCOc1ccc(C(F)(F)F)cc1NC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C 108984223 SXNGNWPTEVFACR-UHFFFAOYSA-N 435.362 4.154 5 20 IIBD C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 111193184 GRGYLRDUMDRCFO-AWEZNQCLSA-N 436.497 4.138 5 20 IIBD C[C@@H](NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1C 237656414 FUXOFMJVXSLOEW-RTBURBONSA-N 447.539 4.327 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N2CCC[C@@H](c3nc4ccccc4o3)C2)c([N+](=O)[O-])c1 301274044 RLIPOTFVWWYVIR-MRXNPFEDSA-N 431.452 4.085 5 20 IIBD C[C@H](c1nc(-c2cccs2)no1)N1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1 301958222 OEULNOZLWBMUCS-CQSZACIVSA-N 436.497 4.138 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@H](C)N(C)Cc2ccccc2)cc1[N+](=O)[O-])c1ccccn1 303514231 UELZKCGUWSMIKC-OALUTQOASA-N 447.539 4.413 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O 303832908 HASZHZJPYHNKHA-DYVFJYSZSA-N 433.917 4.041 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(Cl)ccc1I 318454701 DQHJURLCCCOAOK-UHFFFAOYSA-N 430.629 4.125 5 20 IIBD CCOc1ccc(Cl)cc1CCNC(=O)c1sc(Br)cc1[N+](=O)[O-] 409482897 GSENREHRICUQTO-UHFFFAOYSA-N 433.711 4.443 5 20 IIBD Cc1nn(C(C)C)c(C)c1Cc1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 426451450 RXFIACIDFJPJEY-UHFFFAOYSA-N 434.294 4.316 5 20 IIBD CN(C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[C@H]1CCCC[C@@H]1S(C)(=O)=O 426863146 CXLDASWQUFCFNT-PMACEKPBSA-N 448.566 4.174 5 20 IIBD CC(C)N(Cc1ccc(-c2cccc(F)c2)s1)C(=O)NCCn1cc([N+](=O)[O-])cn1 426972466 GPSVHKJSEYOOON-UHFFFAOYSA-N 431.493 4.279 5 20 IIBD CN(CCC(=O)O)C(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 428040753 MERLBYNBYJCEEY-UHFFFAOYSA-N 428.388 4.312 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2C(=O)N2CC3(CCCC3)C2)c1 428286834 BUJWLXAIXXAEFL-UHFFFAOYSA-N 443.525 4.029 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@@H](c2ccccc2)C(C)C)cc(Br)cc1[N+](=O)[O-] 430298828 APXSIYQTFIOWSP-QGZVFWFLSA-N 434.290 4.118 5 20 IIBD CCCn1ccnc1CCCN(C)C(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 430502231 UOJOCWCUAWPZIW-OALUTQOASA-N 441.576 4.388 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2nnc([C@H]3CCCc4ccccc43)s2)c1[N+](=O)[O-] 432525119 GDAGPNMPKSZNPV-INIZCTEOSA-N 444.538 4.332 5 20 IIBD CCC[C@@H]1CCc2nc(NC(=O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)sc2C1 434995504 IGRNPKCHCWRCSB-OAHLLOKOSA-N 444.557 4.332 5 20 IIBD CC(C)Oc1ccc(NC(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1Cl 437060633 TUKUHOGQHDTVAT-UHFFFAOYSA-N 431.876 4.165 5 20 IIBD CCOc1cc(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)c([N+](=O)[O-])cc1OC 437289432 STCPXCYAGQVFIP-DZGCQCFKSA-N 435.274 4.051 5 20 IIBD CCCCNc1ccccc1C(=O)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 438739313 XKQVVWRIKHCAAY-UHFFFAOYSA-N 436.516 4.036 5 20 IIBD CCc1[nH]nc(C(=O)N2CCC(COc3cc(Cl)cc(Cl)c3)CC2)c1[N+](=O)[O-] 439477724 VYKIOYQFEKULNF-UHFFFAOYSA-N 427.288 4.118 5 20 IIBD Cc1ccc(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1NC(=O)C(C)(C)C 439982114 URSBPFZBOAUQOZ-UHFFFAOYSA-N 432.864 4.118 5 20 IIBD Cc1nc(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)ccc1[N+](=O)[O-] 440413488 NDEGKLFVMLIAMS-GOSISDBHSA-N 438.871 4.452 5 20 IIBD Cn1cc(CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])c2ccc(Cl)cc21 444443604 XQMDOIRDYGHZRN-UHFFFAOYSA-N 436.693 4.475 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@H]3C3CCCCC3)n2C[C@H]2CCOC2)c1 461583319 FMPILEKQBSMZLY-UTKZUKDTSA-N 425.533 4.439 5 20 IIBD Cc1cc(N2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)c(C(F)(F)F)cc1[N+](=O)[O-] 461880984 GWXSZEZWQURZMB-NSHDSACASA-N 427.345 4.207 5 20 IIBD O=[N+]([O-])c1ccc(Nc2ccc(CC(F)(F)F)cc2)c(S(=O)(=O)N2CCCC2)c1 462866955 DIJWDRKOUCDFEM-UHFFFAOYSA-N 429.420 4.228 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 463972811 PABXDISSKYRAAH-KRWDZBQOSA-N 436.468 4.384 5 20 IIBD O=C(Nc1ccc(Cc2nnc3n2CCCCC3)cc1)c1c(Cl)cccc1[N+](=O)[O-] 464112279 FHPUKQUQGCMANC-UHFFFAOYSA-N 425.876 4.409 5 20 IIBD CCCOc1ccc(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)c(OC(F)F)c1 468717883 VHSTUDYVJWCYRT-UHFFFAOYSA-N 430.429 4.001 5 20 IIBD C[C@H](O)C[C@@H](CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccccc1 468987565 OFIUZLXBJVMGJO-UEXGIBASSA-N 448.523 4.447 5 20 IIBD CN1CCC(NC(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)CC1 471391078 PYDLRMGPWOWUHH-SAPNQHFASA-N 436.537 4.346 5 20 IIBD NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 471408996 JFFOXSUFRYVXSF-HGQUKEQDSA-N 445.928 4.125 5 20 IIBD O=C(NCC1(c2c(Cl)cccc2Cl)CCC1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 472729397 XHCQRMRABXYPJS-UHFFFAOYSA-N 440.258 4.217 5 20 IIBD COc1cccc([C@@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])c2cc(F)ccc2OC)c1 474150704 BUFGIWRVOXNRGT-OAQYLSRUSA-N 425.416 4.052 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC(c2ccccc2C(F)(F)F)CC1 474863713 YPFLHVKUYKDXBT-CQSZACIVSA-N 449.429 4.138 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)c1 475147054 BICLKAMUMAJWKR-UHFFFAOYSA-N 432.318 4.060 5 20 IIBD Cc1cccc(I)c1C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 475302735 YQPFZZQQYJGPSB-UHFFFAOYSA-N 433.205 4.308 5 20 IIBD COC(=O)c1ccoc1CSc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])c(C)n1 475309053 FLHNRSQHNLLTNP-UHFFFAOYSA-N 427.438 4.222 5 20 IIBD CCc1cnc(CN(C)c2ccc(C(=O)c3ccccc3C(=O)OC)cc2[N+](=O)[O-])s1 476206825 MYXSTPRWJOZKET-UHFFFAOYSA-N 439.493 4.268 5 20 IIBD O=C(NCc1noc(-c2cccc(Br)c2)n1)c1cc2cc([N+](=O)[O-])ccc2o1 477132801 DNZNRGWHVYISDS-UHFFFAOYSA-N 443.213 4.084 5 20 IIBD C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccc(Br)cn1 477807135 VMIFZJBXANWTJH-MRVPVSSYSA-N 429.068 4.006 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCC(=O)NC)cc1C 478659221 OYKFHCNNXJOHIU-UHFFFAOYSA-N 431.514 4.173 5 20 IIBD Cc1c(CNC(=O)N(C)[C@@H](c2ccc(Cl)cc2)c2cnccn2)cccc1[N+](=O)[O-] 480075336 SADFEYZFNGXTDD-FQEVSTJZSA-N 425.876 4.278 5 20 IIBD CN(Cc1nc(-c2cccs2)no1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 480298954 IVOGRCHRMTWRCL-UHFFFAOYSA-N 427.364 4.389 5 20 IIBD Cc1c(CNC(=O)Nc2ccnn2Cc2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] 484784234 POEOTAHOWOLYLY-UHFFFAOYSA-N 433.390 4.489 5 20 IIBD COc1ccc(NC(=O)CCN[C@@H](C)c2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])c1 484893575 WGTSMUOLAKUYGJ-LBPRGKRZSA-N 427.379 4.181 5 20 IIBD O=C(NCCCOC1CCOCC1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 485233041 VNMQZKMDLKMFRI-UHFFFAOYSA-N 447.919 4.176 5 20 IIBD CCN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1S(=O)(=O)CC 485294602 WKJJBRCSIUCWTD-UHFFFAOYSA-N 448.544 4.001 5 20 IIBD CCOc1ccc(NC(=O)COc2cc(Br)cc(F)c2F)c([N+](=O)[O-])c1 485480934 ZTTNWVXEILVHSN-UHFFFAOYSA-N 431.189 4.052 5 20 IIBD CC[C@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1cc(F)cc(Br)c1 485920550 IZLNSYKAKANRFP-KRWDZBQOSA-N 445.310 4.110 5 20 IIBD CC[C@@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1cc(F)cc(Br)c1 485927863 ALUWVRHJYAFSBL-OAHLLOKOSA-N 431.283 4.067 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc2c(cc1Cl)OCCCO2 488434270 LEPNMSQEIQPUFB-UHFFFAOYSA-N 438.889 4.400 5 20 IIBD O=C(N[C@@H]1CCCOc2c(F)cccc21)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 488554376 ZUNGWICONSZOGS-HXUWFJFHSA-N 429.448 4.201 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccc(O)cc2)cs1 489517692 JDLAGNZNTIFJMT-UHFFFAOYSA-N 431.495 4.415 5 20 IIBD CCCN(Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 490545108 NGDLYECEYPDOIE-KPOBHBOGSA-N 428.476 4.273 5 20 IIBD C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@@H]1CCN(Cc2ccccc2)C1 490759401 RMZPNYSVPOSFFI-RBBKRZOGSA-N 439.559 4.182 5 20 IIBD COc1ccc(C[C@@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1OC 493912081 VKSGCYXEVJTWTE-GFCCVEGCSA-N 426.391 4.239 5 20 IIBD CN1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3Cl)CC[C@H]21 493946688 IRUIQIXERHIOOZ-VGOFRKELSA-N 442.947 4.417 5 20 IIBD C[C@H]1C[C@H](C)CN(Cc2ccc(CNc3cccc(S(C)(=O)=O)c3[N+](=O)[O-])cc2)C1 497549499 ZZXKPMFLYDYIFL-IRXDYDNUSA-N 431.558 4.088 5 20 IIBD Cc1c(NC(=O)[C@@H](C)Nc2ccc(CS(=O)(=O)C(C)(C)C)cc2)cccc1[N+](=O)[O-] 498079923 NIOYGLYSAUSDOH-OAHLLOKOSA-N 433.530 4.056 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N(Cc1ccncc1)Cc1cccnc1 498561901 UBVIQDKWVIZKMB-UHFFFAOYSA-N 431.477 4.351 5 20 IIBD O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 500291372 XWVVGZUMEVNUCR-HNNXBMFYSA-N 442.566 4.422 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1 500453870 DTKBMQIVKYUMJN-ROUUACIJSA-N 443.569 4.092 5 20 IIBD CN1CCC(Nc2ccccc2NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 502625638 MPPRCYMSIRSBKO-UHFFFAOYSA-N 437.525 4.477 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]1c1nc2ccccc2n1C 503140433 LGMISEDWKOOABZ-GUYCJALGSA-N 428.876 4.266 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NCc2ccnc(OC3CCCCC3)c2)c([N+](=O)[O-])c1 503575610 HKGNTWBTBOFNFU-UHFFFAOYSA-N 435.484 4.278 5 20 IIBD COc1ccc(-c2ccc(CN(C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)o2)c([N+](=O)[O-])c1 506355857 KYKWKBWVWYRMFL-OAHLLOKOSA-N 444.509 4.460 5 20 IIBD C[C@@H](c1cccc(Br)c1)[S@](=O)CCC(=O)Nc1ccccc1[N+](=O)[O-] 507683407 KQGHPENWCWWXOF-UOXLDJKESA-N 425.304 4.196 5 20 IIBD CCOC(=O)CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)c1cccc(Br)c1 508313309 AFEBKBJEPZOKLO-AWEZNQCLSA-N 449.301 4.053 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2cccc(OC)c2OC)cc1 509179811 RCQDRIAVZQQJOP-UHFFFAOYSA-N 438.436 4.343 5 20 IIBD CCOc1cc(NC(=O)N2CCO[C@@]3(CCc4ccccc43)C2)c([N+](=O)[O-])cc1OCC 510639338 WDGDVUZYGRTPCV-QHCPKHFHSA-N 441.484 4.098 5 20 IIBD COc1ccc([C@@H]2CCCCCN2C(=O)CN(C)CCc2ccccc2[N+](=O)[O-])cc1 511126960 RFPQNSHZWFAQGW-QFIPXVFZSA-N 425.529 4.222 5 20 IIBD O=C(N[C@@H]1CCN(c2ccccn2)C1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 511183056 BWXGNRMWBOSPMO-QGZVFWFLSA-N 438.871 4.444 5 20 IIBD O=C(NCc1ccc(OC(F)F)c(F)c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 511268902 NJSYUJIYCLFHAQ-UHFFFAOYSA-N 438.280 4.206 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(F)c2ccccc12 511763637 YTLXHLBWMUGBNK-NSHDSACASA-N 447.369 4.304 5 20 IIBD CCc1ccc2c(c1)[C@H](CCNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)C(=O)N2 511853695 LOQOJMSZBDQDHX-AWEZNQCLSA-N 446.301 4.084 5 20 IIBD O=C(c1cc2ccccc2[nH]1)N1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 512766950 LSNCGLGLFCIBGL-UHFFFAOYSA-N 447.520 4.158 5 20 IIBD O=C(Nc1ccc(-c2ccc(Cl)s2)nc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 512877284 ZBXWIPRPGMEKKK-UHFFFAOYSA-N 426.845 4.205 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2F)c2ccc(F)cc2)cc1[N+](=O)[O-] 513461497 YKMQHEXEYRDYEU-UHFFFAOYSA-N 446.431 4.124 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1 517473366 DDHIGXIFHNHKMM-UHFFFAOYSA-N 439.493 4.233 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 518312285 RPRLGGFXUGEXPQ-KRWDZBQOSA-N 440.500 4.118 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 520943494 KDADKRGBYDHPEF-UHFFFAOYSA-N 431.246 4.293 5 20 IIBD COc1ccc(C(=O)N(CCCn2ccnc2)Cc2c(F)cccc2Cl)cc1[N+](=O)[O-] 521141242 SPPXDRINVCAWRL-UHFFFAOYSA-N 446.866 4.325 5 20 IIBD COc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1[N+](=O)[O-] 523239853 GELXOIAHIWFOMI-OAHLLOKOSA-N 442.859 4.327 5 20 IIBD Cc1ccc(C)c([C@@H](C)N(C)S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 523419063 PXSXCJMBMRAORX-CYBMUJFWSA-N 427.320 4.356 5 20 IIBD CCOC(=O)c1ccnc(Sc2nnc(-c3cccc(Cl)c3)n2CC)c1[N+](=O)[O-] 524104799 IFNJCWNMUWBKDV-UHFFFAOYSA-N 433.877 4.250 5 20 IIBD COc1ccc([C@H]2CCCN2C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 524191531 AQGGZCOLBNVOGG-MRXNPFEDSA-N 434.876 4.398 5 20 IIBD Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)C2)cc1 524262898 SCNIEIRANZTADV-KRWDZBQOSA-N 442.541 4.056 5 20 IIBD CC(C)C[C@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1 525027212 BIXFGQVLMBYLFP-INIZCTEOSA-N 435.933 4.343 5 20 IIBD CCC1(CC)CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])c2ccc(Br)cc21 531856659 STQWYJMLVMZJPD-UHFFFAOYSA-N 440.319 4.019 5 20 IIBD CN1CC[C@@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 534244280 ZQWXYMZWNOQMJC-KPZWWZAWSA-N 426.275 4.464 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CSCc3nc(-c4ccc5c(c4)OCO5)no3)co2)cc1 534793645 PNIWAGBEEDSXFT-UHFFFAOYSA-N 438.421 4.462 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc2c(s1)CCCC2 535686806 ZIMQXDMEZPRLQW-UHFFFAOYSA-N 434.539 4.120 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2c(Cl)cccc2C1 536472748 RNJRGPGGWYIWPJ-UHFFFAOYSA-N 434.901 4.102 5 20 IIBD O=C(c1ccnc(OC2CCCCC2)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 536798659 ZXFGXGISAJTOTQ-UHFFFAOYSA-N 425.485 4.385 5 20 IIBD CCOc1cccc([C@H]2C[C@@H]2Nc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)c1 537193024 MQBCKYWSYBOIKM-MSOLQXFVSA-N 426.860 4.161 5 20 IIBD C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1nc(C(C)(C)C)cs1 541651305 HZYIOEYSVCJYHB-JTQLQIEISA-N 441.351 4.401 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCN(C(=O)c2cc3sccc3s2)CC1 541783356 FWRAEUVANPVKRJ-UHFFFAOYSA-N 434.474 4.000 5 20 IIBD COc1cc(CNCCc2ccc(F)c(F)c2F)c([N+](=O)[O-])cc1OCC(F)(F)F 542313087 MVUTYPXVMYMYTD-UHFFFAOYSA-N 438.324 4.294 5 20 IIBD COc1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1OCc1ccncc1 543472028 AAKBDQLEWFMEJF-CQSZACIVSA-N 425.416 4.459 5 20 IIBD C[C@H](C(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1F 544401881 WPZBBPLDXDPYKU-JTQLQIEISA-N 428.247 4.241 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)c1 544660440 RKMVFRHAFMUHMG-KRWDZBQOSA-N 442.497 4.178 5 20 IIBD O=[N+]([O-])c1ccc2[nH]nc(-c3nc(-c4cc(Cl)ccc4O[C@@H]4CCOC4)no3)c2c1 545072166 BSONXXQKHMSARO-GFCCVEGCSA-N 427.804 4.009 5 20 IIBD O=C1COc2ccc(-c3nc(-c4ccc(Oc5cccc([N+](=O)[O-])c5)cc4)no3)cc2N1 545764662 XNRHCFFEDLCUJU-UHFFFAOYSA-N 430.376 4.435 5 20 IIBD COc1cc(Cc2noc(-c3cccc(CSc4nccn4C)c3)n2)ccc1[N+](=O)[O-] 546472577 KRMPMYPPGOUZTF-UHFFFAOYSA-N 437.481 4.270 5 20 IIBD COc1ccc(-n2ccnc2SCc2nc(Cc3cccc([N+](=O)[O-])c3C)no2)cc1 546492938 XEPMSAOQFFUYGH-UHFFFAOYSA-N 437.481 4.364 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc(Cl)cc1OC(F)F 547231449 MZSPKJPJGYSXJQ-UHFFFAOYSA-N 441.774 4.176 5 20 IIBD CC(C)OC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CCO1 548438722 IZGGWOBBMUEFIX-GOSISDBHSA-N 447.919 4.126 5 20 IIBD CC[C@@H]1CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@@H](C)[S@]1=O 553065362 JCPSHWVALIFZAA-IONWVBAPSA-N 436.917 4.412 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(CS(=O)(=O)C(C)(C)C)cc1 554849762 DQHPCALOVKDAIW-UHFFFAOYSA-N 433.530 4.015 5 20 IIBD CCS(=O)(=O)c1ccc([C@@H](C)NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 556407513 FOQOMMDSULASLE-CQSZACIVSA-N 431.539 4.363 5 20 IIBD Cc1ccccc1[C@@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C(C)C 556560319 FIKVZJGTCFICHP-KRWDZBQOSA-N 434.290 4.118 5 20 IIBD COc1cccc(OC(F)(F)F)c1CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 561335352 IJKHFNWGFXHYLR-UHFFFAOYSA-N 447.369 4.494 5 20 IIBD CC(C)(C)N1CC[C@](F)(c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)C1 561402764 KUWVZXOSTJVOGG-QGZVFWFLSA-N 427.274 4.000 5 20 IIBD Cc1c(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)cnn1-c1ccc(Cl)cc1 562213549 GQDUCUSTTGGKNF-UHFFFAOYSA-N 437.843 4.308 5 20 IIBD Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 571533877 HEMLUDJHMRTKGX-RHSMWYFYSA-N 442.903 4.365 5 20 IIBD CC(=O)N(c1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1)[C@@H]1C[C@@H]1C 577435307 JHFHMCQLBQCUFP-APPDUMDISA-N 432.274 4.371 5 20 IIBD Cc1nc2ccccc2c2c(NC(=O)c3nn(C)c4ccccc4c3=O)c3ccccc3n12 599419273 PTPZTJKFDRSOKG-UHFFFAOYSA-N 433.471 4.448 5 20 IIBD CC(C)OC(=O)c1c(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)sc2c1CC[C@H](C)C2 603761397 GOWGHYFLWWLHLF-NSHDSACASA-N 446.481 4.327 5 20 IIBD Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(OCCN(C)C)c1 606327282 MGOUYJFTGBKCRA-UHFFFAOYSA-N 429.520 4.042 5 20 IIBD CC(C)(C)c1csc(CCNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])n1 609190276 NKSVHIXLZYXANC-UHFFFAOYSA-N 431.436 4.262 5 20 IIBD COCCN(C(=O)c1cnc(C2CC2)s1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 609215234 AXIDTJSFWVWUGX-UHFFFAOYSA-N 430.511 4.345 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ccccc1SCC(F)(F)F 609493912 XGBYLELPTHUZMF-UHFFFAOYSA-N 447.822 4.271 5 20 IIBD C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 609855395 NEGPJTKGQSMKDM-LDBYXDLTSA-N 443.525 4.189 5 20 IIBD O=C(Nc1cc(CCc2ccccc2)[nH]n1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 610125083 YESYCDWXINAWES-UHFFFAOYSA-N 434.374 4.297 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1ccnc(Oc2ccccc2)c1 610665881 RJIGOCZOPDCPEY-UHFFFAOYSA-N 442.269 4.404 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 611202101 PNCMYWZJAKWRJG-OAHLLOKOSA-N 449.960 4.243 5 20 IIBD CC1CCC(NS(=O)(=O)c2ccc(N3CCC[C@H]3c3cccnc3)c([N+](=O)[O-])c2)CC1 612105958 BQFDEGQTJBJGLS-NLPFYKDJSA-N 444.557 4.188 5 20 IIBD O=C(Nc1nn2cnnc2s1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 613559472 IVPPIYPMOXVMMW-UHFFFAOYSA-N 432.874 4.151 5 20 IIBD O=C(OCc1nc(-c2cccc(Br)c2)no1)c1cc(F)c(F)cc1[N+](=O)[O-] 725935446 JLAYDDOKLVABCN-UHFFFAOYSA-N 440.156 4.043 5 20 IIBD C[C@H](OC(=O)c1csc(-c2c(F)cccc2F)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 726218876 UCPMYLCJKSDBLE-JTQLQIEISA-N 433.392 4.181 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)OCc2ccccc2OC(C)C)ccc1[N+](=O)[O-] 726675109 PUZYXXPVTFAVMA-FQEVSTJZSA-N 426.469 4.038 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(NC(=O)OC(C)(C)C)nc1 727339406 RFLADWZSANPLJE-LLVKDONJSA-N 436.852 4.396 5 20 IIBD Cc1ccc2nc([C@@H]3CCCN(C(=O)c4cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c4C)C3)[nH]c2c1 727488352 OWAICWLLPHLRQU-OAHLLOKOSA-N 437.456 4.324 5 20 IIBD COc1ccc(CC(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)c(Cl)c2)cc1[N+](=O)[O-] 727665687 UXVYEJADDINVKV-CQSZACIVSA-N 445.903 4.453 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H](OC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 727959952 KGXVERRYPDPIMS-HNNXBMFYSA-N 433.486 4.275 5 20 IIBD CC(=O)N(CCC(=O)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccccc1 728165431 KAUFFLTZPBSPDH-UHFFFAOYSA-N 429.904 4.430 5 20 IIBD COc1cc(F)cc2sc(NC(=O)c3ccc(Br)c([N+](=O)[O-])c3)nc12 728850459 RTHFHETWLBQKKD-UHFFFAOYSA-N 426.223 4.367 5 20 IIBD CCCCCCn1nc(C(=O)OCc2c(F)cccc2[N+](=O)[O-])c2ccccc2c1=O 728987092 WFNSOAGIGUWBMG-UHFFFAOYSA-N 427.432 4.381 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 729116084 CNBXMENAWKWMLI-UHFFFAOYSA-N 441.267 4.162 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@H](Cn2ccnc2)C(C)(C)C)cc1[N+](=O)[O-])c1ccccn1 729339510 YUFZBNCWCITPBT-HRAATJIYSA-N 436.516 4.204 5 20 IIBD C[C@H](OC(=O)CSCc1nc(O)c2c3c(sc2n1)CCC3)c1cccc([N+](=O)[O-])c1 729620627 SBBRWPAWKRMKBE-NSHDSACASA-N 445.522 4.331 5 20 IIBD O=C(N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 730502782 CUNSCBQLOXIUAA-JOCHJYFZSA-N 433.420 4.347 5 20 IIBD COc1cc(OC)c(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)c(OC)c1 732575099 QJLNJQVZXFTDKD-UHFFFAOYSA-N 434.876 4.294 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])OCC(=O)c1ccc(Br)cc1 735147022 HGEKAHHNIZCUNM-UHFFFAOYSA-N 442.649 4.206 5 20 IIBD CN1C(=O)CC[C@@H](COC(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(C(F)(F)F)cc1 737378483 XVHWUPAAQPPTDQ-KXBFYZLASA-N 436.386 4.380 5 20 IIBD COc1cc(N2CCC(OC(=O)Cc3ccc(Br)cc3)CC2)ccc1[N+](=O)[O-] 739384171 GZRKOTONRACJMM-UHFFFAOYSA-N 449.301 4.121 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])cc1 742887016 JBEYTIGQPGHRDH-AWEZNQCLSA-N 443.456 4.011 5 20 IIBD COc1cccc(-n2ccn(CN3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)c2=S)c1 743389915 DVABCFQNMWHYOQ-UHFFFAOYSA-N 440.525 4.426 5 20 IIBD CC(C)(C)c1ncc(/C=C/C(=O)OC[C@@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])s1 744115470 BPCYLSMBWQCGRR-NKSUMMKUSA-N 443.525 4.210 5 20 IIBD COc1ccc(COC(=O)COc2ccc([N+](=O)[O-])c(F)c2)cc1SC(F)(F)F 744885703 HBJNZEMKSJIEGV-UHFFFAOYSA-N 435.351 4.477 5 20 IIBD C[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)N[C@H](C)c1ccc(F)cc1 745567758 SGZUNGISOYKINH-GHMZBOCLSA-N 428.338 4.175 5 20 IIBD C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 747001486 VVAAFXLACRHYQO-JTQLQIEISA-N 440.681 4.169 5 20 IIBD Cc1c(C(=O)Nc2ccc(-n3cnc4ccccc43)nc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748618289 DJDBNTLJLJFOSC-UHFFFAOYSA-N 432.396 4.106 5 20 IIBD CCN(CC)CCn1ccc2cc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)ccc21 748739156 WCUMPGFKWFYHRD-UHFFFAOYSA-N 439.472 4.360 5 20 IIBD CCCCc1ccc(N(C)C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 752369931 LWRYZRGWXDZJIX-UHFFFAOYSA-N 425.514 4.494 5 20 IIBD C[C@H](C(=O)Nc1ccccc1C(=O)NCCc1ccccc1)c1ccc([N+](=O)[O-])cc1F 754008190 BBCYFPNIBANSED-INIZCTEOSA-N 435.455 4.449 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@@H]1CCOc2c1ccc(Cl)c2Cl 754069183 WUSQDEWNDPFSOB-GFCCVEGCSA-N 444.658 4.134 5 20 IIBD O=C(Nc1nc(Cc2ccccc2)ns1)c1cc(F)cc([N+](=O)[O-])c1Br 755001324 MEYOGWIUBQTPHZ-UHFFFAOYSA-N 437.250 4.191 5 20 IIBD COc1ccc(C(=O)COC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1Br 755069723 WZHFMDGUHURKMV-JTQLQIEISA-N 440.221 4.035 5 20 IIBD Cc1c(C(=O)OCc2cc(F)ccc2[N+](=O)[O-])c(=O)oc2ccc(Br)cc12 755244299 RZRBAHGXQPYFAT-UHFFFAOYSA-N 436.189 4.268 5 20 IIBD C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1cc(F)ccc1N1CCC(O)CC1 755460666 CVOJVBVFBPSXKD-CYBMUJFWSA-N 443.500 4.401 5 20 IIBD O=C(Nc1nc2ccc(Br)cc2[nH]1)c1cccc([N+](=O)[O-])c1Br 758528367 QTTGICYTBQUSQF-UHFFFAOYSA-N 440.051 4.248 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 759084401 IZIDVTSECKFCRJ-JTQLQIEISA-N 447.211 4.050 5 20 IIBD O=C(CCc1nc(-c2ccc(Cl)cc2)no1)O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 759946529 IZZONBCIVHUNHE-HZPDHXFCSA-N 445.863 4.154 5 20 IIBD O=[N+]([O-])c1ccc(OCc2nc(-c3ccc(COCC(F)(F)F)cc3)no2)cc1F 761448381 GYTGMNFOAHSAQE-UHFFFAOYSA-N 427.310 4.442 5 20 IIBD O=C(NCc1ccc(N2CCCS2(=O)=O)cc1)c1c2ccccc2cc2ccccc12 763758262 MERHZDKDSDHCAW-UHFFFAOYSA-N 430.529 4.463 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 765029566 DZNVHMXQNLHBIQ-NYHFZMIOSA-N 443.504 4.039 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2C[C@H](C)O[C@@H](c3ccsc3)C2)c1=S 765081572 NEAMEHSOVVEXSH-KBXCAEBGSA-N 445.570 4.490 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)c2ccccc12 767815405 GHZUGZOCLYYUSP-AWEZNQCLSA-N 447.440 4.070 5 20 IIBD C[C@H](OC(=O)c1c[nH]nc1-c1c(F)cccc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 768143943 RHJDSOHTHXKHDR-JTQLQIEISA-N 441.350 4.231 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](O)c2ccc(-c3ccccc3)cc2)cc1SC 768555436 WGKFUCONTNZICR-HXUWFJFHSA-N 438.505 4.456 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2csc(Br)c2C)cccc1[N+](=O)[O-] 772462668 XHLVNXVLAVPSBB-JTQLQIEISA-N 427.276 4.220 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCc1cccc(Cl)c1Cl 773381088 RBXXWFDPWXNAGW-UHFFFAOYSA-N 425.224 4.333 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCCOCc1ccc(Cl)cc1Cl 776297946 UZGJAYAKCYBHHL-UHFFFAOYSA-N 426.256 4.487 5 20 IIBD O=[N+]([O-])c1ccc(F)cc1OS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 777846177 ZRXVSWPFKPQICV-AWEZNQCLSA-N 445.852 4.103 5 20 IIBD Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)c1cc([N+](=O)[O-])c2nsnc2c1 778257852 UPJNOAWKCNRHSS-KRWDZBQOSA-N 434.481 4.282 5 20 IIBD CCO[C@@H](C)c1nc(COc2cc([N+](=O)[O-])ccc2I)cs1 780353165 FCKRKXNMWKQIGC-VIFPVBQESA-N 434.255 4.332 5 20 IIBD CC(C)n1c([C@@H](C)NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc2ccccc21 781981566 WOLXARWZBFVDSD-CQSZACIVSA-N 425.445 4.244 5 20 IIBD COc1cc(-c2nc(COC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)cs2)ccc1O 785950365 XSWIQBJTUDVWIV-UHFFFAOYSA-N 434.857 4.372 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NS(=O)(=O)Cc1ccc(Cl)c(F)c1 787002421 CVRNBHCIOPCSPF-UHFFFAOYSA-N 446.909 4.149 5 20 IIBD O=C(NOC[C@@H]1CCOC1)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 788576515 VPXQCYNSEDBHJT-GFCCVEGCSA-N 442.415 4.463 5 20 IIBD Cc1nc2cccc(-c3noc(-c4cc([N+](=O)[O-])ccc4I)n3)c2[nH]1 789841458 YPWNGOKGXLDDFB-UHFFFAOYSA-N 447.192 4.101 5 20 IIBD CN(C)C(=O)Sc1cccc(COC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c1 790746369 RTBSJCMUUKXYMB-UHFFFAOYSA-N 426.853 4.447 5 20 IIBD O=C(Cc1ccc(F)cc1Cl)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791169544 WLOOARLOLBRWOX-UHFFFAOYSA-N 427.657 4.277 5 20 IIBD Cc1cc2sc(NS(=O)(=O)c3cc(Br)ccc3[N+](=O)[O-])nc2cc1F 795666773 GBDSMRRLOWPVQF-UHFFFAOYSA-N 446.279 4.215 5 20 IIBD CC[C@@H]1CN([C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C[C@H](C)[S@@]1=O 796368356 UXHMXTFCPAYYCQ-CVNHILBLSA-N 449.960 4.159 5 20 IIBD O=C(Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1=CCOCC1 802096534 UOPWJJSSBMXZRV-UHFFFAOYSA-N 437.235 4.406 5 20 IIBD COc1cc(CNc2ccc(C3(O)COC3)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 808432837 DOXICGKUBUEBPX-UHFFFAOYSA-N 436.464 4.012 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 810206614 TYTCXGGQTJLWEH-QGZVFWFLSA-N 432.521 4.404 5 20 IIBD C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)c1 813244619 JSXWVXCGMUIUJK-ZDUSSCGKSA-N 437.905 4.064 5 20 IIBD Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3cc([N+](=O)[O-])c(N(C)C)cc3F)o2)cc1C 814483941 SPBLGOUMOSJSBE-CYBMUJFWSA-N 428.420 4.385 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C 816907197 KXUQCGALWIONLS-ZFWWWQNUSA-N 441.525 4.173 5 20 IIBD O=C(/C=C/c1ccccc1OC(F)(F)F)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 914807537 DVALZCMCMOEQMI-JXMROGBWSA-N 435.314 4.300 5 20 IIBD CC[C@@H]1CCCCN1C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1 915250210 RCTQYYSXXRCXDI-MRXNPFEDSA-N 442.468 4.344 5 20 IIBD Cc1c(C(=O)NCc2ccccc2CN2C[C@@H](C)C[C@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 916086110 SKPDIWKMNVNXBQ-HOTGVXAUSA-N 440.500 4.219 5 20 IIBD CC(C)[C@H](OC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(N)=O 916607402 MPPGOSKTEYQOOB-INIZCTEOSA-N 442.415 4.432 5 20 IIBD O=C(c1c(Cl)cccc1Cl)N1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 917599709 KDKHRCZJCPXSSY-UHFFFAOYSA-N 439.324 4.056 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 918290913 VDGQHDOHEJFNKY-AWEZNQCLSA-N 426.860 4.074 5 20 IIBD C[C@@H](OC(=O)CCc1ccc(OC(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 919270790 OQDSUNNIJFODER-LLVKDONJSA-N 442.802 4.353 5 20 IIBD Cc1ccccc1-c1cc(C(=O)OCCn2c([N+](=O)[O-])cnc2C)c2cnn(C(C)C)c2n1 920118755 BMOSVZUBSLWYID-UHFFFAOYSA-N 448.483 4.258 5 20 IIBD Cc1cc(C(=O)OCC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)cc([N+](=O)[O-])c1 920900915 NIIMMASXYNEJCF-KRWDZBQOSA-N 439.449 4.092 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(-n2cnc3ccccc32)nc1 1116603563 GHIKVBQMCYOZEG-IBGZPJMESA-N 429.480 4.214 5 20 IIBD CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c1 1252228243 GTIKQVRSNVKXPT-UHFFFAOYSA-N 442.472 4.046 5 20 IIBD C[C@H](OC(=O)CCOc1cc(Cl)ccc1Cl)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 1318016119 NXULTWBJBWVXBU-JTQLQIEISA-N 445.230 4.380 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1 1318185797 GATGDWUFOHLYIC-UHFFFAOYSA-N 444.806 4.052 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Br)[C@@H](O)c1cccc(C(F)(F)F)c1 1327986849 FDMOYPOCLABKFU-AWEZNQCLSA-N 434.164 4.153 5 20 IIBD O=C(c1cccc(COc2cccc(F)c2)c1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1328348930 MPPUWRDHBOTTEE-UHFFFAOYSA-N 449.482 4.271 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC)c(NC(=O)C2CCCCC2)c1 1339142612 GPTLXENNLOTBID-UHFFFAOYSA-N 426.473 4.416 5 20 IIBD Cc1ccc(CN2CCCN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 1339171704 DKMXLLXITHLSRQ-UHFFFAOYSA-N 431.920 4.060 5 20 IIBD O=C(Cc1cc([N+](=O)[O-])ccc1F)Nc1ccc(C2(NC(=O)c3ccccn3)CCC2)cc1 1786672948 VUZOJHREEQAPDW-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD O=C(Cc1cc(F)ccc1[N+](=O)[O-])NC1(c2ccc(NC(=O)c3cccnc3)cc2)CCC1 1787307315 DVBIXKSCJPZNFY-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD COc1cc(C(=O)NC2(c3ccc(NC(=O)[C@]4(C)C[C@H]4C)cc3)CCC2)ccc1[N+](=O)[O-] 1790425525 FALHRFREZRZARH-IQMFZBJNSA-N 437.496 4.397 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(F)c1Cl)c1cccc(F)c1[N+](=O)[O-] 1800458097 VVTSAHQRHPZDNG-CLLJXQQHSA-N 449.841 4.092 5 20 IIBD CCC[C@H]1CC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1847654063 GMSINGQAZOTGAO-YPIGBULZSA-N 429.517 4.009 5 20 IIBD CC(=O)CCc1ccc2oc(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)c(C)c2c1 8807215 MVEUGMVPAXONMB-UHFFFAOYSA-N 438.436 4.275 5 20 IIBD C[C@@H](OC(=O)c1ccccc1Br)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 11026297 WBLUPIQIRDHWNQ-SECBINFHSA-N 427.638 4.195 5 20 IIBD CNS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2nc3ccccc3c3ccccc23)c1 14065412 ZRJSZKDXLJVUQD-UHFFFAOYSA-N 440.908 4.307 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 16013239 ZPRBXHYEQCXVQE-UHFFFAOYSA-N 440.681 4.030 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Sc2nnc(NC3CCCCC3)s2)c([N+](=O)[O-])c1 16070211 MTBWNYOADMHSMT-NSHDSACASA-N 437.547 4.319 5 20 IIBD C[C@@H](OC(=O)c1cc(Cl)c2c(c1)OCCCO2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 17757269 VCQVGPHWQKODFZ-LLVKDONJSA-N 445.815 4.378 5 20 IIBD COc1ccccc1Oc1ccc(NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 28730464 BUKHCHHTNANQBB-HNNXBMFYSA-N 435.436 4.153 5 20 IIBD CN(Cc1ccc(Br)s1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 64695774 YHXNBBOMSGTSEV-UHFFFAOYSA-N 435.303 4.092 5 20 IIBD Cc1c(NC(=O)CCN(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)cccc1[N+](=O)[O-] 195674254 FMCYHEQUYZAMLO-AZUAARDMSA-N 438.311 4.129 5 20 IIBD CCc1cc(N2CCC(NC(=O)c3cc(C)oc3C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 301176853 ZQRNOWXIPYFGFW-UHFFFAOYSA-N 449.511 4.223 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC[C@@H](c1cccc(Cl)c1)N1CCCC1 301389091 ZBZWKEPQRVNTNW-FQEVSTJZSA-N 430.892 4.454 5 20 IIBD O=[N+]([O-])c1c(Sc2nnnn2-c2ccc(Br)cc2)ccc2ncccc12 302202300 ZSWPQZBVJNHPME-UHFFFAOYSA-N 429.259 4.032 5 20 IIBD COC(=O)CCCc1nc(CSc2nc3ccccc3c3nc4ccccc4n23)no1 303450927 JMRUUIAIPQWLOB-UHFFFAOYSA-N 433.493 4.207 5 20 IIBD CCCCC1CCC(c2cc(NC(=O)C(=O)Nc3cc([N+](=O)[O-])ccc3C)n[nH]2)CC1 426424122 FOKAWPUYOPEHLI-UHFFFAOYSA-N 427.505 4.668 5 20 IIBD COc1ccc(CNC(=O)C(C)(C)c2csc(-c3ccccc3F)n2)cc1[N+](=O)[O-] 432642727 GFADASRRUZJERM-UHFFFAOYSA-N 429.473 4.460 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC(Nc2cccc(Br)c2)CC1 434303717 ZTKPDZCDOSWQOY-UHFFFAOYSA-N 447.333 4.186 5 20 IIBD O=C(NC1CCN(Cc2ccc(F)c(F)c2)CC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 436064201 ZFKDPCHTNVJKMP-UHFFFAOYSA-N 447.485 4.354 5 20 IIBD Cc1ccc(-c2ccncc2)cc1NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 438657439 SBJWXBJTWMOSGJ-UHFFFAOYSA-N 432.480 4.341 5 20 IIBD Cc1nc2ccc(NS(=O)(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)cc2s1 438806822 BMADNQZHLBFZJC-UHFFFAOYSA-N 442.316 4.385 5 20 IIBD O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCC[C@H]1[C@@H](O)C(F)(F)F 442632966 GUVCCUWPSHMMNQ-WMLDXEAASA-N 426.416 4.274 5 20 IIBD CCOc1ccc(NC(=O)CNc2cc(F)cc(F)c2Br)c([N+](=O)[O-])c1 442868412 QQGFTNGWEMSPFO-UHFFFAOYSA-N 430.205 4.085 5 20 IIBD O=C(N[C@H]1CCN(c2c(F)cccc2F)C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444227988 SJOQHWNNKXISQK-ZDUSSCGKSA-N 437.421 4.107 5 20 IIBD Cc1ccc(NC(=O)C(C)C)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 445815663 NHOVSNSZXFKAMY-UHFFFAOYSA-N 434.290 4.441 5 20 IIBD COc1ccc(N(CC(C)C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 446989470 DZWHHMYLYXEYOX-UHFFFAOYSA-N 443.319 4.217 5 20 IIBD C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1nc(C(C)(C)C)cs1 447036184 GEALTKVVVBJQBU-SECBINFHSA-N 437.465 4.407 5 20 IIBD CO[C@@H]1CCOc2c(NS(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])cccc21 447779708 UOIXFTMHJWHGKK-CQSZACIVSA-N 433.269 4.172 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(c1nnc(-c3cccnc3)n1CCc1ccccc1)CC2 460438003 QNBISFYKMAMJDD-UHFFFAOYSA-N 426.480 4.054 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1 461431139 QTWAMWNCJXKIGO-IHPCNDPISA-N 425.554 4.056 5 20 IIBD COc1cccc([C@@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])c2ccccc2Cl)c1 462243428 CFHIKCKERKPSQV-OAQYLSRUSA-N 425.872 4.235 5 20 IIBD O=[N+]([O-])c1ccc(NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)cc1OC(F)F 462382173 WWSPJUDVZGWRHA-QGZVFWFLSA-N 427.835 4.335 5 20 IIBD Cc1ccc(NCCCNC(=O)[C@H](C)c2ccc(Br)s2)c([N+](=O)[O-])c1 464067878 KZHSPMMIJIWMBY-GFCCVEGCSA-N 426.336 4.449 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Br)c2ncccc12 464419888 LLXHADQHFOZYQY-UHFFFAOYSA-N 442.678 4.360 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 464709497 JILROYONGSTKPL-QGZVFWFLSA-N 442.541 4.048 5 20 IIBD COc1cc(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 467720852 QJJMLIPOERHQOX-SUMWQHHRSA-N 445.903 4.262 5 20 IIBD C[C@@H](C[S@](C)=O)N(C)C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 468287076 IFSWXCCVKFVCCC-JWNZJDHWSA-N 426.947 4.238 5 20 IIBD O=C1CCC(=O)N1c1ccc(C(=O)N2CCC[C@H]2c2cccc3ccccc23)cc1[N+](=O)[O-] 468865379 GNFRBEPNCVHJPF-FQEVSTJZSA-N 443.459 4.379 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 469326002 RUUGQUIRDDQRSI-MRXNPFEDSA-N 440.529 4.078 5 20 IIBD COc1ccc(Br)c(CN(C)C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c1 469837616 CAXANCWTPSJHES-LLVKDONJSA-N 425.254 4.267 5 20 IIBD CC1CCN(c2ccc(C(=O)N3C[C@H](C)O[C@@H](c4ccsc4)C3)cc2[N+](=O)[O-])CC1 470742404 BSTVCILXDBMSQS-HRAATJIYSA-N 429.542 4.495 5 20 IIBD O=C(CCc1nnc(C2CCCC2)o1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 471392531 VTYUBSCLHLFNQC-UHFFFAOYSA-N 426.395 4.159 5 20 IIBD Cc1nn(CCC(=O)Nc2ncccc2OCc2cccc(Cl)c2)c(C)c1[N+](=O)[O-] 471569139 FBZBSMCTHLFDDS-UHFFFAOYSA-N 429.864 4.064 5 20 IIBD Cc1cc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)c(Br)cc1[N+](=O)[O-] 473516887 FSRQSXDPUNTGCI-UHFFFAOYSA-N 436.281 4.204 5 20 IIBD CC(C)c1ccc(C(=O)Nc2cccc(CS(=O)(=O)NC(C)(C)C)c2)cc1[N+](=O)[O-] 473700370 RHBVFJPMCXIGQI-UHFFFAOYSA-N 433.530 4.188 5 20 IIBD O=[N+]([O-])c1cc(Br)cnc1N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 474785465 LJFMLSAXIRWZCG-HXUWFJFHSA-N 431.334 4.245 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2cc3cccc(F)c3o2)cc1OC 475746355 ALRGFULLXFVQGZ-LBPRGKRZSA-N 432.404 4.005 5 20 IIBD CCCCn1ccnc1-c1cccc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 477380205 ZKYLOSCRQORXCN-UHFFFAOYSA-N 430.486 4.068 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(Oc2ccccc2)c1 478095033 MNBYPZDQLZNEBK-UHFFFAOYSA-N 439.855 4.338 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCOc1ccc2ccccc2c1 478251800 OOCHHLIVCBBVSN-UHFFFAOYSA-N 426.494 4.295 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(CN2CCCCC2)cs1 481946461 PABGIGWAIKPKBR-UHFFFAOYSA-N 436.559 4.028 5 20 IIBD O=c1c2ccccc2nc(SCc2nc3ccc([N+](=O)[O-])cc3[nH]2)n1Cc1ccco1 484482026 BABZJNYDIDHVSE-UHFFFAOYSA-N 433.449 4.115 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@H](c2ccccc2F)C1 484873914 VQMZXUMEMVVORM-LSDHHAIUSA-N 446.500 4.455 5 20 IIBD O=C(NCCc1cccc(-c2ccccc2)c1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 485769062 XSKZTMKKIJTJND-UHFFFAOYSA-N 443.503 4.112 5 20 IIBD COC(=O)c1cc(NC(=O)[C@H]2C[C@H]2c2cccc(Br)c2)c(C)c([N+](=O)[O-])c1 485973903 DBJMZXBTQGXBTM-GJZGRUSLSA-N 433.258 4.195 5 20 IIBD C[C@@H](c1cccnc1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC1 486769411 JPSWDJTXWHQKCY-IBGZPJMESA-N 445.523 4.121 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C)c(C(=O)N(C)C(C)C)c1 488235571 UCHWXLLCCMTQSG-UHFFFAOYSA-N 445.541 4.374 5 20 IIBD Cc1ccc(CNC(=O)C2CCN(C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 493177442 CHXPRPXXXWKHFK-GOSISDBHSA-N 438.528 4.011 5 20 IIBD CS(=O)(=O)c1cccc([C@@H](NCc2ccccc2[N+](=O)[O-])c2ccc(F)cc2F)c1 493227495 JSUWTXWTPPCSBB-OAQYLSRUSA-N 432.448 4.156 5 20 IIBD CC(C)(C)c1ccc(C2(CNC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)CCC2)cc1 499523061 WNNLYPPFNHYUKV-UHFFFAOYSA-N 444.553 4.148 5 20 IIBD CSc1ccc(C(=O)N2CCCC[C@@H]2CNC(=O)Nc2ccccc2)cc1[N+](=O)[O-] 502731911 VJUBGVICBFEKPF-QGZVFWFLSA-N 428.514 4.133 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1N1CCCC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 505099087 QHIZJRGUXLNREW-UHFFFAOYSA-N 448.445 4.176 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)cc([N+](=O)[O-])c1 505316642 KHHRWMPBUNGUOV-UHFFFAOYSA-N 432.738 4.228 5 20 IIBD O=C(Nc1ccc(Cl)c(OC(F)F)c1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 506986981 NQWVMRIKHQAHLE-UHFFFAOYSA-N 426.807 4.204 5 20 IIBD O=C(c1ccc(Cl)cc1)N1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 508043158 TWIYTOFNWMXPNF-UHFFFAOYSA-N 443.912 4.451 5 20 IIBD C[C@H](O)[C@@H]1CCN(C(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C1 509413058 BFVJWKFGYHEJAD-HOKSHQMQSA-N 437.521 4.365 5 20 IIBD O=C1[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)CCN1c1cccc(OC(F)(F)F)c1 511705037 DALARFVMYCWGRK-QGZVFWFLSA-N 432.358 4.259 5 20 IIBD COc1cc(CCNC(=O)[C@@H](Oc2ccccc2)c2ccccc2)c([N+](=O)[O-])cc1OC 512906123 ZOIFDZIYUFNYJX-QHCPKHFHSA-N 436.464 4.091 5 20 IIBD Cc1ccccc1Oc1ccccc1CNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 513404317 GYEIYXNCDYJJCY-UHFFFAOYSA-N 440.477 4.029 5 20 IIBD C[C@H]1CCCN(Cc2ccccc2CN[C@@H](c2cccc([N+](=O)[O-])c2)c2nccn2C)C1 514092900 HAGJWXUNIPUUOW-CYFREDJKSA-N 433.556 4.439 5 20 IIBD Cc1cc(NC(=O)c2cnn(-c3ccc(F)cc3F)c2C)n(-c2ccc([N+](=O)[O-])cc2)n1 515203114 REIDHWITQVHEFH-UHFFFAOYSA-N 438.394 4.114 5 20 IIBD O=C(NCc1ccccc1F)c1ccc(NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 515664321 RUNDURDLWWJTSD-UHFFFAOYSA-N 447.426 4.326 5 20 IIBD CN1CC[C@H](CNC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C1 518395238 FQGFVWMXIZHGLX-CYBMUJFWSA-N 428.539 4.037 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N[C@@H](C(=O)O)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 520325187 YZGYAUGVYJKFOZ-QLJPJBMISA-N 426.256 4.396 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NC3CCN(C[C@@H]4CCOC4)CC3)c([N+](=O)[O-])c2)cc1 522903428 NHVFBLXVQOHLFA-SFHVURJKSA-N 438.528 4.068 5 20 IIBD C[C@H](NC(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 524566089 LVLQWCMWJIUVAQ-INIZCTEOSA-N 439.493 4.451 5 20 IIBD CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCSc2ccc(Br)cc21 532554821 ASXPERTWDRMFMU-HNNXBMFYSA-N 436.331 4.125 5 20 IIBD C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccccc1NS(=O)(=O)c1cccs1 533150737 NIGCVJVUEHXTIG-NSHDSACASA-N 437.524 4.010 5 20 IIBD CCn1cc(S(=O)(=O)N[C@H](C)c2ccccc2-c2ccc(Cl)cc2)c([N+](=O)[O-])n1 533174891 OSJPMMQSIXAETJ-CYBMUJFWSA-N 434.905 4.171 5 20 IIBD CN1CC[C@@H](CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)[C@H]1c1ccc(Cl)c(F)c1 534970840 JKSGKYTYCCVPCM-HRAATJIYSA-N 446.910 4.148 5 20 IIBD COCCO[C@@H]1CCCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 536373124 AGAVASGWZJIVKY-WIYYLYMNSA-N 447.919 4.055 5 20 IIBD COc1cc(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])ccc1OCCC(C)C 537640525 PJJZWLGBOIVWKS-UHFFFAOYSA-N 428.532 4.105 5 20 IIBD Cc1cc(NC(=O)c2cc(C)n(-c3ccccc3Cl)n2)n(-c2ccc([N+](=O)[O-])cc2)n1 538464805 KFEHNNKBMAFOIU-UHFFFAOYSA-N 436.859 4.489 5 20 IIBD CCCc1[nH]nc(C(=O)Nc2ccc(CN(C[C@H]3CCCCO3)C(C)C)cc2)c1[N+](=O)[O-] 539319802 HHSDVHHDZYVJLP-LJQANCHMSA-N 443.548 4.302 5 20 IIBD C[C@H]1CN(CCOC2CCN(C(=O)c3cc4ccccc4c4cccnc34)CC2)C[C@H](C)O1 540227290 KNXNPKZNTHRSAI-PMACEKPBSA-N 447.579 4.118 5 20 IIBD COc1cc(CSCC(=O)Nc2ccc(F)cc2)c([N+](=O)[O-])cc1OCC(F)F 540827451 WLVHEDWIPVCBAY-UHFFFAOYSA-N 430.404 4.258 5 20 IIBD COc1ccc(Br)cc1CN(C)C(=O)CSc1ccccc1[N+](=O)[O-] 541292231 DYOAWBAZBPHNIN-UHFFFAOYSA-N 425.304 4.117 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 541434813 ZDLCVALVYZKNEV-UHFFFAOYSA-N 445.369 4.342 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] 541657160 JNJYTAVZDGKFHK-SUMWQHHRSA-N 431.489 4.256 5 20 IIBD C[C@@H]1CN(CCCCNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C[C@@H](C)O1 541670822 YYVHKRCSBQLCSU-QZTJIDSGSA-N 449.617 4.496 5 20 IIBD C[C@H](C(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)c1ccc([N+](=O)[O-])cc1F 542537592 GXWCQMYLEGLOKV-ZDUSSCGKSA-N 446.431 4.448 5 20 IIBD COc1cc(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc(OC)c1OC(F)F 542926415 QMVBGVBFKWHEGV-UHFFFAOYSA-N 436.289 4.485 5 20 IIBD Cc1c(NC(=O)CCN2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cccc1[N+](=O)[O-] 542948499 VMAZOURWIPGBEH-IBGZPJMESA-N 437.418 4.324 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1nnc(C(C)(C)c2ccccc2)s1 543303193 JHNOHJWNDGJBHV-UHFFFAOYSA-N 427.486 4.103 5 20 IIBD O=C(N[C@@H]1CCN(CC(F)(F)F)C1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 543550307 RYNUWBMCMLWZDU-CQSZACIVSA-N 431.480 4.244 5 20 IIBD CC(C)[C@@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1F 543843723 WFJMEBONBLFFFJ-GOSISDBHSA-N 439.896 4.092 5 20 IIBD C[C@@H](C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1F 544509332 PXRYXOTUTWFENV-CQSZACIVSA-N 443.456 4.277 5 20 IIBD COc1ccc(CSCc2nc(-c3cccnc3N3CCCCC3)no2)cc1[N+](=O)[O-] 545622315 DIISBHCKXFMLJU-UHFFFAOYSA-N 441.513 4.472 5 20 IIBD CCOc1cc(Cc2noc(CN(C)c3ccccc3[N+](=O)[O-])n2)ccc1OC(F)F 545641234 IFWNKNJTBXNSCJ-UHFFFAOYSA-N 434.399 4.205 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2 546795379 UWYAUTLUFMSGMR-HNNXBMFYSA-N 429.523 4.266 5 20 IIBD Cc1cc(Br)cc(C)c1N1CCC[C@@H](Nc2ncc([N+](=O)[O-])s2)C1=O 553386471 OCFIDJZKOCEOIW-GFCCVEGCSA-N 425.308 4.038 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cccc(N2CCCCC2=O)c1 555818048 YKOHWXCMWCHISQ-UHFFFAOYSA-N 432.274 4.435 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCc1cc(F)c(F)cc1Br 561448601 XBOZBJVAILLBEQ-UHFFFAOYSA-N 442.260 4.080 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(C(C)(C)COc3cc(Cl)cc(Cl)c3)n2)n1C 562898087 GPLPLLWDNRVGKA-UHFFFAOYSA-N 426.260 4.350 5 20 IIBD O=C(Nc1c(-c2cccs2)nc2ccccn12)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 564257953 JNESURTYNJKDGP-UHFFFAOYSA-N 437.485 4.037 5 20 IIBD COc1ccccc1-c1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1Cc1ccccc1 568577156 YHJDRUJKDRUCCS-UHFFFAOYSA-N 441.491 4.473 5 20 IIBD CCc1noc(-c2ccc(NC(=O)c3cc(OC)c(OC)cc3[N+](=O)[O-])c(Cl)c2)n1 569035725 SKWFKHUFHUORGS-UHFFFAOYSA-N 432.820 4.130 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)cc1[N+](=O)[O-] 575008461 LKVGAHVVMNZQDR-BLLLJJGKSA-N 433.867 4.296 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@@H](Cc1ccccc1)C(F)(F)F 582756646 BEUIMBDINBTLAX-CQSZACIVSA-N 445.235 4.437 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN3C[C@H]4CN(Cc5ccccc5)CC[C@H]4C3)o2)c1 589300620 RGMGKMLUNZHZLJ-FCHUYYIVSA-N 432.524 4.246 5 20 IIBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccc(-c2cc3ccccc3o2)cc1 603288823 IZRCOIYRMMZTJA-UHFFFAOYSA-N 441.399 4.243 5 20 IIBD CC(=O)c1cccc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 603644404 XMYSLJLWXZSION-UHFFFAOYSA-N 436.390 4.170 5 20 IIBD C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 603966921 MGPXXJDUZBIXJY-XIKOKIGWSA-N 436.295 4.384 5 20 IIBD Nc1c(C(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc(F)cc1[N+](=O)[O-] 608817427 HXZMKUPMDPSGCU-LBPRGKRZSA-N 445.838 4.039 5 20 IIBD CC[C@H](c1ccccc1)c1nnc(NC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)s1 609291403 TUAUOUVJYCIECR-OAHLLOKOSA-N 427.486 4.319 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Oc2ccnc3ccccc23)c1 609689427 OBRXUOLFMZMIKU-UHFFFAOYSA-N 442.431 4.190 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSc1nnc(Nc2cccc(F)c2)s1 609750668 ZTHDYUKWCPUPOV-UHFFFAOYSA-N 447.473 4.419 5 20 IIBD C[C@@H](CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCCC[C@H]1C 609855214 QQOUMGHGRMZFME-OLZOCXBDSA-N 440.331 4.080 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCc1nc(-c2ccc(Cl)cc2)no1 610100555 KYDYAFYPRZJKJT-UHFFFAOYSA-N 429.864 4.120 5 20 IIBD Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)s2)cc1 610104370 UFACDKBWNOZRAR-OAHLLOKOSA-N 438.509 4.493 5 20 IIBD Cc1ccncc1[C@@H](C)NC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 611300385 XHQUIXSYAZQVMF-MRXNPFEDSA-N 432.480 4.086 5 20 IIBD COc1ccc2c(c1)CC[C@@H](NC(=O)c1ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c1)C2 612087488 JMQPRKOLIQDWDT-OXQOHEQNSA-N 446.507 4.459 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1nnc(Cc2ccccc2)s1 618743413 BTWAETZASZKPGB-UHFFFAOYSA-N 437.403 4.378 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([C@H]2CCCCCN2C(C)=O)CC1 619638125 KFWDBNRYAOUBAY-HXUWFJFHSA-N 432.521 4.029 5 20 IIBD Cc1nc2ccccc2c2c(NC(=O)Cn3cnc4sccc4c3=O)c3ccccc3n12 641929352 XHGVOPQEWZQXQU-UHFFFAOYSA-N 439.500 4.359 5 20 IIBD Cc1ccc(-c2csc(NC(=O)COC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])n2)cc1 725937393 RMGLYXPRUOGQMY-UHFFFAOYSA-N 433.392 4.100 5 20 IIBD Cc1csc(-c2cccc(OC(=O)[C@H]3CC(=O)N(c4ccc(F)c([N+](=O)[O-])c4)C3)c2)n1 726369074 XNFDWMDIZDRATR-AWEZNQCLSA-N 441.440 4.124 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Nc1cccc(CC[C@H](O)c2ccccc2)c1 727362129 HHJMHZVUXSGJLI-FQEVSTJZSA-N 430.457 4.201 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCc1nnc(-c2cccc(Cl)c2)o1 730303200 NNFPJLDFTMBZHZ-JTQLQIEISA-N 438.223 4.462 5 20 IIBD O=C(OCc1c(F)cccc1[N+](=O)[O-])c1cnn(-c2ncccc2Cl)c1C(F)(F)F 730652350 WIRQHARTRCKEBG-UHFFFAOYSA-N 444.728 4.344 5 20 IIBD O=C1OC(c2c(Cl)cccc2[N+](=O)[O-])=N/C1=C\c1cc([N+](=O)[O-])ccc1OC(F)F 730957728 IQDMIMOFWZOMNL-XFFZJAGNSA-N 439.714 4.102 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cccc(OC3CCCC3)c2)c([N+](=O)[O-])c1 731260852 GPWNNYFTOONOMP-CQSZACIVSA-N 428.441 4.109 5 20 IIBD CC[C@@H](OC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccc(OC)cc1 731555970 LQWQTFJNRKGRCT-QGZVFWFLSA-N 428.470 4.191 5 20 IIBD CC(C)N(C)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2I)c1 731585709 JSMSSEHXHCJPJJ-UHFFFAOYSA-N 439.253 4.296 5 20 IIBD O=Cc1ccc(OCC(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)c([N+](=O)[O-])c1 731617034 GXTMYWPSKHFYCJ-UHFFFAOYSA-N 427.800 4.266 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)[C@H](C)CNC(=O)OC(C)(C)C)cc2[N+](=O)[O-])C1 732010112 OAPYAQHNQCAPFW-IXDOHACOSA-N 448.564 4.062 5 20 IIBD O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)Nc1cc([N+](=O)[O-])ccc1OC(F)F 732426040 XTPGZSNGDJVSHP-CYBMUJFWSA-N 436.198 4.358 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccccc1CN(C)C(=O)OC(C)(C)C 732525711 CQZDAIVDWRHPHH-UHFFFAOYSA-N 435.502 4.071 5 20 IIBD Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)ccc1N1CCSCC1 739538270 ONTMGYPGMHZNMH-UHFFFAOYSA-N 436.331 4.471 5 20 IIBD O=C(c1cc(Br)cnc1Cl)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 741741082 UXQJDJUJIGZQRE-HNNXBMFYSA-N 428.695 4.294 5 20 IIBD CN(C(=O)OC(C)(C)C)c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 742332476 NMCOVQTYSNXGLQ-UHFFFAOYSA-N 442.877 4.387 5 20 IIBD CC(C)(C)OC(=O)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)c1 743838830 YOTGOORYJASDPP-UHFFFAOYSA-N 435.274 4.494 5 20 IIBD O=C(OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])[C@H]1C[C@@]12CCCc1ccccc12 744118316 YSMLBNFCCZKFRV-NXQMDHLFSA-N 434.492 4.037 5 20 IIBD Cc1nnc([C@@H](C)OC(=O)CSc2nc3cc([N+](=O)[O-])ccc3n2-c2ccccc2)o1 744480551 LNDFVPPVIATXHO-GFCCVEGCSA-N 439.453 4.022 5 20 IIBD O=C(NC[C@@H](O)c1ccccc1C(F)(F)F)c1csc(-c2cccc([N+](=O)[O-])c2)n1 747872612 GUOQEJBXKZXNLP-MRXNPFEDSA-N 437.399 4.201 5 20 IIBD Cc1nn(CCC(=O)OCc2ccc(Oc3ccc(Cl)cc3)nc2)c(C)c1[N+](=O)[O-] 749091609 UOFANZUZLLPDRC-UHFFFAOYSA-N 430.848 4.382 5 20 IIBD CC(=O)c1ccc(OS(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)c([N+](=O)[O-])c1 749946791 CDLOIFMDHLLQRF-UHFFFAOYSA-N 434.495 4.472 5 20 IIBD COc1cc(C(=O)OCc2ccnc(-c3ccc(Br)cc3)n2)ccc1[N+](=O)[O-] 750020279 BWKSDYOPIDPPPO-UHFFFAOYSA-N 444.241 4.180 5 20 IIBD O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1csc(-c2ccccc2F)n1 750433871 CIKFUNATKSBSAC-UHFFFAOYSA-N 442.472 4.326 5 20 IIBD O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 751136350 PBBBGGCZVKYUCD-UHFFFAOYSA-N 430.892 4.315 5 20 IIBD CC(C)(C)C[C@H](O)C(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 751770509 DAZLZMCZTSCHIE-ROUUACIJSA-N 434.876 4.268 5 20 IIBD C[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C 752439599 TXDRUWPRMSFALN-OCCSQVGLSA-N 443.953 4.102 5 20 IIBD Cc1cc(NC(=O)COC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)ccc1Br 755069162 VAXODQCUOFBQMI-LLVKDONJSA-N 439.237 4.090 5 20 IIBD CC[C@@H](C)n1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c1C1CC1 762476336 NJOJTGGWHYMGNK-SNVBAGLBSA-N 443.323 4.203 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](C)C(=O)Nc1ncc(Cl)cc1Cl 765528171 UEEZSPZKLVFDTE-WCQYABFASA-N 440.283 4.436 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)nn1CCCOc1ccc(F)cc1 768035793 KLAPEEYYDSKHAB-UHFFFAOYSA-N 441.463 4.026 5 20 IIBD CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)N2C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 769679354 NOJUDSPIQZYQIF-MQVJKMGUSA-N 428.489 4.127 5 20 IIBD CC1(C)CN(C(=O)c2ccc(I)c([N+](=O)[O-])c2)c2ccccc2O1 769753179 PUHZQRKQWIKRGQ-UHFFFAOYSA-N 438.221 4.017 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCCNC(=O)c1ccccc1C(F)(F)F 769771264 PLQQBIAMEMZYLS-LBPRGKRZSA-N 442.415 4.067 5 20 IIBD C[C@@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@H](O)c1c(Cl)cccc1Cl 771715682 JMSQWJXPNMDNAR-WYRIXSBYSA-N 449.294 4.154 5 20 IIBD CC(=O)[C@H](Cc1ccc(F)cc1F)OC(=O)c1sc(Br)cc1[N+](=O)[O-] 773606039 ORGKANYBZVNTGC-LBPRGKRZSA-N 434.214 4.054 5 20 IIBD C[C@@H]1C[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCN1C(=O)OC(C)(C)C 773788263 PDFBIHXJGZUHTA-UKRRQHHQSA-N 446.529 4.236 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)c2cccc(Cl)c2Cl)cc1[N+](=O)[O-] 777953263 KVIDIBFFMOYBCP-VIFPVBQESA-N 448.284 4.119 5 20 IIBD O=C(OCc1noc(-c2ccc(Cl)cc2)n1)c1cc([N+](=O)[O-])ccc1OC(F)F 778886690 BICRTDSPKMILNB-UHFFFAOYSA-N 425.731 4.257 5 20 IIBD Cc1c(C(=O)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)cc([N+](=O)[O-])cc1[N+](=O)[O-] 779460176 ZJWOUKIFQALCOP-AWEZNQCLSA-N 449.288 4.446 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 780806778 HSILSONXGHTMKT-YLJYHZDGSA-N 449.551 4.495 5 20 IIBD CC1CCN([C@H](CNC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2)CC1 781607739 XBWATDYTZCFAIC-JOCHJYFZSA-N 440.500 4.025 5 20 IIBD COc1ccc(NC(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1[N+](=O)[O-] 782814489 JHUOBJAXNQJWHU-AUUYWEPGSA-N 429.473 4.444 5 20 IIBD O=C(O[C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1)c1ncoc1-c1ccc(F)cc1 787026052 NMXZGDGTIKWCFZ-INIZCTEOSA-N 429.379 4.354 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1C(=O)N1CCCCC1 787682331 VYEMKIUAHKRIAY-UHFFFAOYSA-N 436.512 4.382 5 20 IIBD O=C(NC[C@H]1CCN(Cc2ccccc2)C1)Nc1ccc(Br)c([N+](=O)[O-])c1 791842456 LIXDHLXPYIJTNB-OAHLLOKOSA-N 433.306 4.001 5 20 IIBD C[C@@H](OC(=O)c1cc2sc(N3CCCC3)nc2s1)C(=O)Nc1cccc([N+](=O)[O-])c1 796312697 DTCDZUCRKKIUCV-LLVKDONJSA-N 446.510 4.050 5 20 IIBD C[C@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccc(Br)cc1F 796691241 ATPGAQJICIUJPB-JTQLQIEISA-N 428.233 4.315 5 20 IIBD Cc1cc(OCC(=O)OCc2nnc(-c3cc4c(s3)CCCC4)o2)ccc1[N+](=O)[O-] 797494337 XZRXMYVUEIQEHQ-UHFFFAOYSA-N 429.454 4.016 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 799235363 XMRKFWNEBGAUPS-HOCLYGCPSA-N 436.509 4.151 5 20 IIBD CC1(c2ccc(Br)cc2)CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 799386820 DDERVIBXAMUETG-UHFFFAOYSA-N 448.273 4.459 5 20 IIBD CC(C)N(C(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(CC(=O)N(C)C)cc1 799447899 QPCRQLMQGXUCBY-UHFFFAOYSA-N 448.317 4.043 5 20 IIBD CCCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(Br)c(C(C)=O)c1 799548179 IRCGRZDPZBEVOS-UHFFFAOYSA-N 441.303 4.165 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H](Cc1ccccc1)c1cccs1 800614378 SCBFMGBFGHQATF-MRXNPFEDSA-N 427.457 4.143 5 20 IIBD COc1ccc2cc(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)ccc2c1 804309559 JQVBBSHSSZBWGJ-JOCHJYFZSA-N 433.464 4.308 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1 808427440 RUOGQYAPIWHTIJ-UHFFFAOYSA-N 431.297 4.401 5 20 IIBD Cc1ccc2nc([C@H]3CCCN3S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)[nH]c2c1 809812851 YFJZGVUYTUSVKS-OAHLLOKOSA-N 438.868 4.098 5 20 IIBD COc1ccc(CSCC(=O)OC[C@@H]2CCN(c3ccccc3F)C2)cc1[N+](=O)[O-] 810914061 NGZGQHULXHHFLJ-MRXNPFEDSA-N 434.489 4.045 5 20 IIBD CCN(Cc1cccc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c1)C(=O)C(F)(F)F 815336074 KTNWLZATDUGYOO-UHFFFAOYSA-N 437.418 4.422 5 20 IIBD O=C(OCc1nc(-c2ccc(F)c(F)c2)no1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 815511790 XCIWGIMTIQCQBP-UHFFFAOYSA-N 429.257 4.299 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OCc2nc(C(C)(C)C)n[nH]2)cc1 816406563 UZGRZZLDARTXNJ-UHFFFAOYSA-N 426.429 4.168 5 20 IIBD COc1cc2c(cc1Cl)CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)CC2 819203244 MFQMFXMAWWUSEO-UHFFFAOYSA-N 443.656 4.357 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2nnc(SCc3ccccc3)s2)cc1[N+](=O)[O-] 887558294 ARTXFQNVJGSYGW-UHFFFAOYSA-N 431.455 4.208 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc(OCC(F)(F)F)cc2)cccc1[N+](=O)[O-] 914981625 MTVRDYGHINRDKT-GFCCVEGCSA-N 426.347 4.028 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)Cc2csc(Cc3ccccc3)n2)cccc1[N+](=O)[O-] 915451841 MNTXYIVMJJSPNS-HNNXBMFYSA-N 439.493 4.063 5 20 IIBD O=C(Nc1ccc(N2CCC(O)CC2)cc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 915644459 SWXQOYXPJCKHSN-UHFFFAOYSA-N 446.507 4.420 5 20 IIBD COc1cc([C@@H](C)NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCC(C)C 915785310 LIYJENHPFCSZPV-CYBMUJFWSA-N 449.891 4.108 5 20 IIBD Cc1oc(-c2ccccc2)nc1CC(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 918941894 SKGYHAQCBBCTTD-AWEZNQCLSA-N 434.408 4.455 5 20 IIBD CCCOc1ccc(COC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1OC 919681025 IIUWMOHLRODTBY-UHFFFAOYSA-N 425.441 4.150 5 20 IIBD COc1ccc(N(Cc2ccccc2)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1OC 1248590798 RJSRMVYFVZPAIK-UHFFFAOYSA-N 437.408 4.367 5 20 IIBD O=C(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)N(CC(F)(F)F)c1ccc(Cl)cc1 1318217170 WRENULNWYVGPHP-UHFFFAOYSA-N 439.781 4.102 5 20 IIBD C[C@@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)N1Cc2ccc([N+](=O)[O-])cc2C1 1319327855 CQCSAGKLMICTIY-NSHDSACASA-N 430.436 4.339 5 20 IIBD COc1ccc(NC(=O)CCN[C@@H](C)c2ccc(F)cc2OC(F)F)c([N+](=O)[O-])c1 1320625363 FFEQOULAHXCECH-NSHDSACASA-N 427.379 4.023 5 20 IIBD Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 1330013933 WYCITRQZIDLTDN-UHFFFAOYSA-N 441.285 4.316 5 20 IIBD CC(C)(c1nnc([C@@H]2Cc3ccccc3CN2Cc2ccccc2)o1)n1cc([N+](=O)[O-])cn1 1341611870 HKGIUIHPWLUSDQ-NRFANRHFSA-N 444.495 4.257 5 20 IIBD Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(O)c([N+](=O)[O-])c4)CCC3)cc2)n1 1787324899 REFYSSAJGAYSKN-UHFFFAOYSA-N 446.463 4.065 5 20 IIBD Cc1oncc1C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3F)CCC2)cc1 1787451085 JVHUKDHNXNITJD-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD C[C@@H](Nc1ccccc1)C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1 1789467239 CHQODBVQXAZGSH-MRXNPFEDSA-N 448.479 4.436 5 20 IIBD C/C=C/C=C\C(=O)Nc1ccc(C2(NC(=O)c3cc([N+](=O)[O-])c(O)cc3C)CCC2)cc1 1791245794 FOUIMDYDLYPDJS-BZDQXIRASA-N 435.480 4.489 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])o1)c1cc(Cl)sc1Cl 1792399646 VMQZPBMGXXUWDC-ILWJIGKKSA-N 444.296 4.122 5 20 IIBD CC[C@H](C)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)[nH]n1 1815045220 MKHYQOZYLYKIRT-SCLBCKFNSA-N 431.468 4.199 5 20 IIBD CC[C@H]1CC[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)[nH]n2)CC1 1822222714 OWKWYXKGTWNBHN-ZOBUZTSGSA-N 443.504 4.433 5 20 IIBD C[C@H](OC(=O)COc1ccc2ccccc2c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 10592042 NNCCPPUUEKYGLA-ZDUSSCGKSA-N 428.828 4.351 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(N[C@@H]2CCSc3ccc(F)cc32)c([N+](=O)[O-])c1 15140815 YWBFEPQNGZBRLG-MRXNPFEDSA-N 439.534 4.413 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2cc(F)c(Cl)cc2Cl)c([N+](=O)[O-])c1 17750694 RMNROVMRIRWDTC-UHFFFAOYSA-N 431.203 4.235 5 20 IIBD O=C(COC(=O)CSc1nc2ccccc2s1)Nc1ccc(Cl)cc1[N+](=O)[O-] 22030007 NTBCUHMHGOLUMG-UHFFFAOYSA-N 437.886 4.132 5 20 IIBD O=C(COC(=O)c1ccc(COc2ccc(F)cc2)o1)Nc1ccc(Cl)cc1[N+](=O)[O-] 24214660 FFGDZEVAXFNLPF-UHFFFAOYSA-N 448.790 4.355 5 20 IIBD O=C(Nc1cccc2cn[nH]c12)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 26914906 ANOFATIXVIGNFO-UHFFFAOYSA-N 433.390 4.345 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3ccc(-n4cccn4)nc3)cc2[N+](=O)[O-])n1 29196879 WWXFEZOLRRCVGE-UHFFFAOYSA-N 438.494 4.344 5 20 IIBD CN(Cc1ccc(C(=O)NC2CC2)cc1)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] 30860780 ODQRQIKYWKYDQG-UHFFFAOYSA-N 429.476 4.354 5 20 IIBD O=C(CN1CCC(C(=O)c2ccc(Cl)cc2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl 60483674 JKKUNHAMQSRIRI-UHFFFAOYSA-N 436.295 4.435 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)cccc1[N+](=O)[O-] 64297538 FHVCNPZJOKQOQY-FQEVSTJZSA-N 439.418 4.220 5 20 IIBD Cc1c(C(=O)O[C@@H](C)c2nc3ccccc3n2C(F)F)nnn1-c1cccc([N+](=O)[O-])c1 97213545 OYROSLIRLPRMGX-LBPRGKRZSA-N 442.382 4.147 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-])c1ccccn1 108757465 ATUWXXAVHDDBJU-WIYYLYMNSA-N 445.523 4.167 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(-n3ccnc3)c(Cl)c2)cc1[N+](=O)[O-] 110240066 OYWNNDPHPGMWQP-UHFFFAOYSA-N 432.889 4.314 5 20 IIBD COCCSc1ccc([C@@H](C)NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 216838891 UXWVLWGVPYBZKE-OAHLLOKOSA-N 440.525 4.225 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 255958921 HPIOYJCZEAHJHT-UYAOXDASSA-N 438.311 4.129 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(Cl)c1Br 410408688 SGIXXGIDNXZIEY-UHFFFAOYSA-N 435.683 4.210 5 20 IIBD CCN(c1ccccc1)c1ccc(CNC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 426038541 YSYIPZHCLNQRMQ-UHFFFAOYSA-N 448.527 4.496 5 20 IIBD O=C1[C@H](SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCN1c1cccc(Cl)c1 426198065 YRTFJBYCLIOKKN-GOSISDBHSA-N 447.900 4.085 5 20 IIBD CCCCC1CCC(c2cc(NC(=O)C(=O)Nc3cccc([N+](=O)[O-])c3C)n[nH]2)CC1 426462258 QQRSCIXRJUFUKN-UHFFFAOYSA-N 427.505 4.668 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)N1c2ccccc2CC[C@@H]1C(=O)Nc1ccccc1 427602325 OZIHTUNHZHPCIF-OAQYLSRUSA-N 431.448 4.204 5 20 IIBD O=C(O)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C[C@H]1c1ccccc1 427716219 WHYDCLBZIFAQRW-LEWJYISDSA-N 432.432 4.328 5 20 IIBD Cc1cc(OCC(=O)Nc2ccc(OCc3cn4ccccc4n3)cc2)ccc1[N+](=O)[O-] 430552233 JMZIFWBOBPFPPA-UHFFFAOYSA-N 432.436 4.147 5 20 IIBD CCN(CC1CCN(c2ccccn2)CC1)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 437053784 JILYLVZPMMWCOV-UHFFFAOYSA-N 446.935 4.177 5 20 IIBD CCc1cc(Br)ccc1NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 437064554 UYIZSPPSSMUWMS-UHFFFAOYSA-N 446.301 4.049 5 20 IIBD O=C(CN1CCc2ccc([N+](=O)[O-])cc2C1)N1CCc2sccc2[C@H]1c1ccccc1 438529173 OVTUYCFCBNFVTM-XMMPIXPASA-N 433.533 4.189 5 20 IIBD CCN(Cc1cccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1)C(C)=O 438809530 WIWHXEDSJSBFHV-UHFFFAOYSA-N 446.312 4.071 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N(Cc2cccs2)C(C)C)cc1[N+](=O)[O-] 439251714 XDRVXZJUWJAHDO-UHFFFAOYSA-N 433.349 4.327 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(N2CCNC2=O)c1 439981569 YOMIFRPUMMSIIU-UHFFFAOYSA-N 431.880 4.220 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCCc2cn(C)c3cc(Cl)ccc23)cc1OC 440716307 JFUYWVORQPZLMH-UHFFFAOYSA-N 431.876 4.120 5 20 IIBD COc1cccc(COc2cccc(NC(=O)C(=O)Nc3cc([N+](=O)[O-])ccc3C)c2C)c1 441915812 FQHGPKFPUNFJNM-UHFFFAOYSA-N 449.463 4.376 5 20 IIBD O=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 443561308 RDVYXDIDGBRLMM-UHFFFAOYSA-N 449.360 4.468 5 20 IIBD NC(=O)c1ccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1N1CCCCC1 444034139 HPDQKIWPJBKHNA-UHFFFAOYSA-N 440.503 4.023 5 20 IIBD O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444086766 YCAXBSCCDXSRNK-IBGZPJMESA-N 449.869 4.009 5 20 IIBD CCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 444189053 ULDXGPCRRFWVAR-UHFFFAOYSA-N 429.476 4.034 5 20 IIBD CO[C@H](C)c1nc(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cs1 444230351 ZEDVLMBHPRPTHT-SNVBAGLBSA-N 429.448 4.053 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3ccc(C(=O)Nc4ccccc4)cc3)n2)c1 445570651 HPEQWBDUBNORNZ-UHFFFAOYSA-N 430.420 4.497 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@@H](C)c2ccc(Br)cc2)c(C)c([N+](=O)[O-])c1 446264675 LAWNZHVHCUSGTF-NSHDSACASA-N 436.262 4.335 5 20 IIBD COc1cccc(N(CC(C)C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c1 446990168 ITMAPOXVSKRTEX-UHFFFAOYSA-N 443.319 4.217 5 20 IIBD C[C@@H]1CCCN(S(=O)(=O)c2ccc(CN[C@H]3CCCc4ccc([N+](=O)[O-])cc43)cc2)C1 447537064 SKMDBAZJGNAIMC-HXOBKFHXSA-N 443.569 4.183 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[C@H]4[C@@H](CCCN4C4CC4)C3)cc2[N+](=O)[O-])C1 448201050 YYJQPPNXFNWFIY-TWWGPRNNSA-N 440.588 4.166 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1 461428617 MHSZANUMEMAKRO-VXKWHMMOSA-N 437.543 4.275 5 20 IIBD CCC[C@H]1SCCN1C(=O)c1cc(C(=O)N2CCS[C@@H]2CCC)cc([N+](=O)[O-])c1 461653952 GIDWVOTWLBRVIY-QZTJIDSGSA-N 437.587 4.225 5 20 IIBD CC(C)NC(=O)c1ccc(NCCOc2ncc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])c1 462880848 GYEZXTZFPQXMLI-UHFFFAOYSA-N 446.813 4.291 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCC[C@@](CO)(Cc3ccccc3)C2)cc1[N+](=O)[O-] 462923145 CTQRUHDZVYAFBA-OAQYLSRUSA-N 447.329 4.123 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 462986434 GHILWBOGGMVNSA-SFHVURJKSA-N 433.512 4.355 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc1 463949287 KDWRZSYDWFPQKG-INIZCTEOSA-N 448.545 4.125 5 20 IIBD COc1ccc(N(C)C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)nc1 464693062 UDKWFIYNABOSQA-UHFFFAOYSA-N 437.477 4.228 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464776013 NGGJTNWERABACF-UHFFFAOYSA-N 433.892 4.047 5 20 IIBD CC[C@H]1CN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCCO1 466742407 GEMZVSLQQRCTRG-QFIPXVFZSA-N 434.496 4.018 5 20 IIBD O=C(C[C@H]1CCCCCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccccc1 467532277 NTCLIDPUHMLGDH-HXUWFJFHSA-N 432.480 4.438 5 20 IIBD CCNc1cnc(-c2noc(-c3ccc(N[C@@H](C)c4ccccn4)c([N+](=O)[O-])c3)n2)cn1 468081725 YUCZMFPVRDUDCW-ZDUSSCGKSA-N 432.444 4.102 5 20 IIBD C[C@H](CC[S@@](C)=O)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 469328883 JFSCYVULULDOPO-KHXSAUHESA-N 426.947 4.286 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)NC2CCC3(CCCCC3)CC2)cc1[N+](=O)[O-] 469960698 BHESZJBAZQWYAG-UHFFFAOYSA-N 429.546 4.497 5 20 IIBD CCCOc1ccccc1[C@H](CC(C)C)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 470245493 CLMZKXBMONJGMG-IBGZPJMESA-N 437.500 4.482 5 20 IIBD O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccc2sccc2c1 471082992 LXFQXTJVSOBGRB-UHFFFAOYSA-N 445.503 4.351 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(Br)c(C(=O)OC)c1C 471145969 SSLLNWHJOOUZBP-UHFFFAOYSA-N 437.246 4.103 5 20 IIBD Cc1c(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cccc1NC(=O)N(C)C 471376396 PCZDDNNDHGFEPC-UHFFFAOYSA-N 440.378 4.190 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CCOC4(CCCCCC4)C3)cc2)c(C)c1[N+](=O)[O-] 478268696 RXPBFVCGQXDDIR-UHFFFAOYSA-N 426.517 4.022 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C)c(-c3nc(C)co3)c2)cc1OC 478495142 CAYOTBISIFVTBC-UHFFFAOYSA-N 441.440 4.153 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(OC3CCC3)c(F)c2)ccc1[N+](=O)[O-] 480159376 CJAHJHLCWWZZSI-FQEVSTJZSA-N 441.459 4.217 5 20 IIBD CCn1c(SC[C@H](O)COc2cc(C)cc(C)c2)nnc1-c1ccc([N+](=O)[O-])cc1 480383635 MJZMWNDIKHFJBW-GOSISDBHSA-N 428.514 4.022 5 20 IIBD C[C@H]1CN(Cc2ccccc2NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)O1 481639210 JWWBTGBFGKFSST-IYBDPMFKSA-N 446.935 4.222 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N(C)C[C@@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] 484438137 MIEIWUIYDLGCOK-JXFKEZNVSA-N 442.537 4.171 5 20 IIBD COC(=O)CSCc1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 485284196 MYUCORIWKSKTQM-GFCCVEGCSA-N 438.889 4.060 5 20 IIBD Cc1cc(Cc2noc(-c3cccc(-c4cnc5nc(O)n(C)c5c4)c3)n2)ccc1[N+](=O)[O-] 486079315 IJFVEZDBOWHOMX-UHFFFAOYSA-N 442.435 4.198 5 20 IIBD CCc1ccccc1N1C[C@@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)CC1=O 486131729 GMQCWCTURLEONK-KRWDZBQOSA-N 449.429 4.101 5 20 IIBD O=C(NCc1nc(-c2ccncc2)no1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 486865802 GKBJLPCSTOCGBI-UHFFFAOYSA-N 433.449 4.121 5 20 IIBD O=C(NCCN1C(=O)Cc2ccccc21)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 487362652 ZDOIGDUZTWKTOA-UHFFFAOYSA-N 433.489 4.065 5 20 IIBD COc1cccc(CC2(C(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)CCCCC2)c1 487493871 CBZKHFSVASNRKZ-UHFFFAOYSA-N 426.517 4.157 5 20 IIBD C[C@H](c1cccc(Cl)c1)N(C)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 488888144 FPHUKIXHGGWQNU-SNVBAGLBSA-N 433.711 4.392 5 20 IIBD CC(C)Oc1ccc([C@H](C)NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 488891459 OXBZRZPAWANKTM-LBPRGKRZSA-N 443.319 4.184 5 20 IIBD O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 489270936 PCZHLNCJCKKRBL-OWJWWREXSA-N 434.442 4.467 5 20 IIBD Cc1c(NC(=O)[C@H](C)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cccc1[N+](=O)[O-] 490020104 WHIYBAJUUMKHQH-JKSUJKDBSA-N 428.558 4.445 5 20 IIBD O=C(NCC[C@@H](c1ccccc1)C(F)(F)F)c1cc([N+](=O)[O-])ccc1SCCO 490838786 HOTWKXAKHICOKI-INIZCTEOSA-N 428.432 4.145 5 20 IIBD CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] 491079494 ZPVINMHJIPMHFF-UHFFFAOYSA-N 447.333 4.131 5 20 IIBD CCCN(C(=O)c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C)C(C)C 491604882 QEADTCFNGDWBHZ-UHFFFAOYSA-N 433.530 4.273 5 20 IIBD CCCn1c2ccccc2c2nnc(S[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)nc21 495456066 WHXYCNBYIWBPDD-CYBMUJFWSA-N 436.497 4.417 5 20 IIBD O=C(Nc1cccc(NS(=O)(=O)c2ccccc2)c1)c1c(Cl)cccc1[N+](=O)[O-] 497637875 LJGKAVBHWWOTFH-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD COc1ccc(Oc2cc(CNC(=O)c3ccc(SC)c([N+](=O)[O-])c3)ccn2)cc1 501871181 FPZZCGUCVJTYAU-UHFFFAOYSA-N 425.466 4.443 5 20 IIBD Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 504108262 FZVPJLQWIXFUFS-MRXNPFEDSA-N 449.511 4.202 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@@H](c3nc(C)no3)C2)c([N+](=O)[O-])c1 505541118 VKTWISWACPYUHQ-NQIIRXRSSA-N 435.484 4.154 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C 505899963 BMGCEGBKLNQXRQ-QGZVFWFLSA-N 431.876 4.117 5 20 IIBD C[C@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1cc2c(cc1Br)OCCO2 507015101 NPDSLVUFKNBOLD-JTQLQIEISA-N 448.273 4.186 5 20 IIBD O=C(c1ccc(NCc2ccc(Oc3ccccc3)cc2)c([N+](=O)[O-])c1)N1CCOCC1 507030385 SIRSODCVPRZTEL-UHFFFAOYSA-N 433.464 4.472 5 20 IIBD CC(=O)c1c(C)[nH]c(C(=O)COc2c([N+](=O)[O-])cnc3ccc(Br)cc23)c1C 508168856 ZVYGBRBRJPUOBK-UHFFFAOYSA-N 446.257 4.315 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C1(c2ccc(Br)cc2)CCOCC1 508776468 BWPCZQKUIWUJMK-UHFFFAOYSA-N 435.274 4.053 5 20 IIBD COc1ccc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1N1CCCC1=O 510058507 SINMMJFPQPFSNR-UHFFFAOYSA-N 448.273 4.053 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CCS[C@@H]2CCCC[C@@H]21 510146432 HXEAHWXTGQTIEO-LSDHHAIUSA-N 446.310 4.008 5 20 IIBD Cc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3I)sc2c1 511478954 YEMLWBLXJCYGPZ-UHFFFAOYSA-N 439.234 4.370 5 20 IIBD O=C(Nc1n[nH]c(-c2cccc3ccccc23)n1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 513732734 JLIQHYUBRWWFFY-UHFFFAOYSA-N 428.452 4.386 5 20 IIBD COCCO[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 513773040 GZZJVIKXMADSBT-GOSISDBHSA-N 434.876 4.308 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H](COc2ccccc2Cl)C1 513875600 CIHGQCUIDOCTDP-INIZCTEOSA-N 440.887 4.365 5 20 IIBD Cc1c(NC(=O)C(=O)N2CCC(Oc3ccc(C(C)C)cc3)CC2)cccc1[N+](=O)[O-] 515972815 RLXSUSZFTJBBSG-UHFFFAOYSA-N 425.485 4.035 5 20 IIBD C[C@@H](COc1cccc(F)c1)NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 518316941 ONRDLGMOWQDEHR-NSHDSACASA-N 432.395 4.429 5 20 IIBD C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 518361451 AWBARTBODKSNSO-VBKZILBWSA-N 426.860 4.036 5 20 IIBD C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2I)[C@@H]2CCCC[C@@H]12 522242530 XTVGWDQNWKXUBN-PVXIVEMSSA-N 428.270 4.240 5 20 IIBD Cc1ccc(NC(=O)N[C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)cc1[N+](=O)[O-] 523201297 PKAXPQCITSFEKS-MRXNPFEDSA-N 425.489 4.042 5 20 IIBD CCOc1cc(NC(=O)N2CC[C@H](c3ccccc3OC)C2)c([N+](=O)[O-])cc1OCC 523443392 PBHLOAIRBWBKOT-HNNXBMFYSA-N 429.473 4.422 5 20 IIBD CC[C@H](C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)Nc1cccc(N2CCCC2)c1 524334445 XJXAELVNLYIJCN-KSFYIVLOSA-N 438.528 4.287 5 20 IIBD COC(=O)C[C@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccc(SC)cc1 524461111 JOYUUJKJANXMOZ-ACJLOTCBSA-N 434.539 4.218 5 20 IIBD Cc1cc(Br)cc([N+](=O)[O-])c1OCC(=O)N1CCc2[nH]c3ccccc3c2C1 531593582 ZRTYNXNPHMTLPU-UHFFFAOYSA-N 444.285 4.111 5 20 IIBD CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccc(F)cc1Cl 532959467 LZIJOYCMKZOHNT-UHFFFAOYSA-N 430.661 4.220 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 534054819 QBHAZSICNHNPLP-UHFFFAOYSA-N 444.797 4.223 5 20 IIBD Cc1ccc(-c2csc(NC(=O)c3cc(S(C)(=O)=O)cc(C)c3C)n2)cc1[N+](=O)[O-] 535457632 VZDOFYSQATZPIQ-UHFFFAOYSA-N 445.522 4.299 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1Cc1ccc(C)cc1 536472516 NXJHVAGECKGSET-SFHVURJKSA-N 442.537 4.406 5 20 IIBD Cc1cc(C)n(-c2ccc(CCNCc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)cc2)n1 537246108 STHOEAWKBKDEBY-UHFFFAOYSA-N 430.512 4.130 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O 537470372 BGJKSKAUJINSHJ-QGZVFWFLSA-N 449.479 4.301 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)CSc1ccc([N+](=O)[O-])cc1 538041970 COXBSRYAHVBEIW-SGTLLEGYSA-N 439.331 4.342 5 20 IIBD COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] 538153868 BVTNHYYVVVIJEA-HNNXBMFYSA-N 428.489 4.101 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 539141683 FRMJTQKGVGJMEJ-YJYMSZOUSA-N 448.317 4.201 5 20 IIBD C[C@@H](N[C@H](C)c1cccc(N2CCCC2=O)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 540408630 SWKAPYOSURRLAH-ZIAGYGMSSA-N 430.892 4.053 5 20 IIBD C[C@@H](C(=O)N1CCCC[C@H]1CNC(=O)Nc1ccccc1)c1ccc([N+](=O)[O-])cc1F 541681471 DRYQXDSABFBUAA-QAPCUYQASA-N 428.464 4.040 5 20 IIBD CC[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc(F)cc(Br)c1 542679349 RSZQRENWQXTQRD-QGZVFWFLSA-N 445.310 4.011 5 20 IIBD COC(=O)[C@@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)Cc1ccc2ccccc2c1 543586241 FMZQDDLHCHXVLF-HNAYVOBHSA-N 438.455 4.139 5 20 IIBD CCc1ccc([C@@H](NCc2cccc(CS(C)(=O)=O)c2)c2ccc([N+](=O)[O-])cc2)o1 544355788 NMLLXITUHAVZEV-QFIPXVFZSA-N 428.510 4.174 5 20 IIBD COc1ccc(Cc2nc(Cc3c[nH]c4cccc(Br)c34)no2)cc1[N+](=O)[O-] 545076285 WNXRQKUGECCPAG-UHFFFAOYSA-N 443.257 4.412 5 20 IIBD CCN(CC)CCOc1ccccc1-c1noc(Cn2ccc3cc([N+](=O)[O-])ccc32)n1 545597112 LPAUISACGYUHSZ-UHFFFAOYSA-N 435.484 4.368 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3cccc(OCC(F)F)n3)n2)c(Br)c1 545760250 VGAGKZLTJGHFKE-UHFFFAOYSA-N 441.188 4.037 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)s2)n1 547106799 AACHKXAISHTNMJ-UHFFFAOYSA-N 448.526 4.102 5 20 IIBD CNC(=O)c1cc(Oc2cccc(NC(=O)c3cccc(SC)c3[N+](=O)[O-])c2)ccn1 553778839 PASXDWLGZFIIQS-UHFFFAOYSA-N 438.465 4.116 5 20 IIBD COc1cc(OC)cc(C2(F)CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC2)c1 555002287 ZJLPLSMMJSCANW-UHFFFAOYSA-N 428.416 4.459 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CCC(O[C@H]3CCOC3)CC2)cc1 560568313 XBAXLABWECOUPK-DEOSSOPVSA-N 448.523 4.217 5 20 IIBD O=C(N[C@@H]1CCN(c2ccccc2F)C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 561597240 SUQZFXUSLJCTCH-GOSISDBHSA-N 435.455 4.322 5 20 IIBD COc1ccc(NC(=O)CCc2nc(O)c3c4c(sc3n2)C[C@@H](C)CC4)cc1[N+](=O)[O-] 564006090 VVBURPPBHZKTQJ-NSHDSACASA-N 442.497 4.010 5 20 IIBD O=C(Nc1ccc(Cl)cc1OCC(F)F)N1CCOc2ccc([N+](=O)[O-])cc2C1 564429278 QBHQOWOZTIBPOM-UHFFFAOYSA-N 427.791 4.319 5 20 IIBD CC(C)c1noc(Cc2ccc(NC(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)cc2)n1 564434309 RRFGENJUWFUHNM-UHFFFAOYSA-N 437.456 4.119 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)[S@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c(Cl)c1 571816483 OIHLEBCPYUAYSZ-GNDSEDMPSA-N 447.900 4.488 5 20 IIBD CCN(Cc1ccccc1)C(=O)Cc1noc(C(C)(C)c2ccc([N+](=O)[O-])cc2F)n1 571924089 SZDPMIJFBJQIHN-UHFFFAOYSA-N 426.448 4.034 5 20 IIBD COCC1(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CCCCC1 572590537 AABQLFUTYZJHNZ-KRWDZBQOSA-N 426.517 4.490 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H]2CC[C@H](c3cccc(F)c3)C2)cc1[N+](=O)[O-] 572863019 JIYAWXXXTPMUNK-RDJZCZTQSA-N 427.476 4.422 5 20 IIBD CC(=O)Nc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c3ncccc23)c(C(F)(F)F)c1 572890605 HILNDDCQAMJJCC-UHFFFAOYSA-N 448.357 4.138 5 20 IIBD O=C(NC1(c2noc(-c3ccn(-c4ccccc4[N+](=O)[O-])n3)n2)CCCC1)c1ccccc1 579644995 KQRFNYFWYUKNSB-UHFFFAOYSA-N 444.451 4.030 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C1(S(=O)(=O)c2ccccc2)CCCCC1 588931541 UMAKTTSTQOZYBO-UHFFFAOYSA-N 444.553 4.211 5 20 IIBD CCC(CC)(OC)c1noc(-c2cc([N+](=O)[O-])cc(I)c2C)n1 589385527 MUEUJDAUGBUMBI-UHFFFAOYSA-N 431.230 4.220 5 20 IIBD CN(Cc1nc(O)c2sccc2n1)c1c([N+](=O)[O-])cnc2ccc(Br)cc12 589558892 KSQHQMJUUOTGFV-UHFFFAOYSA-N 446.286 4.252 5 20 IIBD Cc1ccc(C)c2sc(NC(=O)c3cc([N+](=O)[O-])ccc3Sc3nc[nH]n3)nc12 592460498 MDMBLIXTFUZSQP-UHFFFAOYSA-N 426.483 4.343 5 20 IIBD CCCN(C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)[C@@H](C)c1ccccc1OC 603528589 VAGIINRWBJPUEH-INIZCTEOSA-N 441.484 4.291 5 20 IIBD CN(CC(=O)N(C)C1CCCCC1)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 604105699 MFNMLPATGLOZFW-UHFFFAOYSA-N 438.528 4.070 5 20 IIBD CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 604519694 PPDBENJREMCYQO-CVDCTZTESA-N 434.496 4.235 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)cc1C 608980164 TUTVXCQTPOACAK-KRWDZBQOSA-N 445.324 4.281 5 20 IIBD Cc1nnc(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1CCc1cccs1 609009367 USCMFQNJEPVJOE-UHFFFAOYSA-N 428.499 4.141 5 20 IIBD Nc1c(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)cc(F)cc1[N+](=O)[O-] 609462037 MHZPBJQLAJFXLW-UHFFFAOYSA-N 449.442 4.159 5 20 IIBD O=[N+]([O-])c1cccc(-n2cc(-c3nc(-c4ccc(Oc5ccccc5)nc4)no3)nn2)c1 609475332 LNZMDILKRMSQIL-UHFFFAOYSA-N 427.380 4.080 5 20 IIBD CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl 609783822 NOCZZEKMFXOJFC-UHFFFAOYSA-N 443.809 4.297 5 20 IIBD CCOc1ccc(-c2nc(C(=O)Nc3cc(C(=O)OC)cc([N+](=O)[O-])c3)cs2)cc1 609837949 PSCXWVRKUSEXLU-UHFFFAOYSA-N 427.438 4.156 5 20 IIBD C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 609909291 AFJAIJHYOUMMAP-XJKSGUPXSA-N 441.488 4.032 5 20 IIBD CCOC(=O)c1ccnc(N2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)c1[N+](=O)[O-] 609964517 OVEUYRNYSPHBCI-INIZCTEOSA-N 437.500 4.481 5 20 IIBD CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 609992891 BAPAMYRGDPEYCR-IERDGZPVSA-N 445.541 4.436 5 20 IIBD CC(C)[C@H](CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccnn1C 615954327 LKGNHCUKXPQGGE-WMZOPIPTSA-N 436.516 4.066 5 20 IIBD COC(=O)[C@@H]1C[C@H](F)CN1C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 619452544 BUGBIURKBRUBOV-WFASDCNBSA-N 438.864 4.125 5 20 IIBD COc1ccc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc1OC1CCCC1 728498841 QMBYOULNMINLOV-UHFFFAOYSA-N 429.429 4.071 5 20 IIBD Cc1cc(C(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc(C)c1OC(F)F 730924914 GZDADILNQWKVKW-UHFFFAOYSA-N 435.427 4.281 5 20 IIBD Cc1nc(-c2cccs2)sc1C(=O)O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 731507784 JIARDSJWLLVBLC-CQSZACIVSA-N 429.479 4.051 5 20 IIBD COc1ccccc1-c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 732122830 ZBDPTXWRIMXDIC-UHFFFAOYSA-N 433.464 4.359 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Oc2cccc(NC(=O)c3cccs3)c2)c1C 734155951 GVNWDMOFNXFQCF-UHFFFAOYSA-N 432.479 4.293 5 20 IIBD CCOc1cc(C(=O)Oc2cccc(NC(=O)c3ccco3)c2)c([N+](=O)[O-])cc1OC 734330105 FPBNHAJGKZQDKI-UHFFFAOYSA-N 426.381 4.067 5 20 IIBD O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])C1CCN(C(=O)/C=C\c2ccccc2)CC1 734883362 LHUYMTFZKCZXLL-TWGQIWQCSA-N 428.872 4.243 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H](O)c1cc(Cl)cc(Cl)c1 736177870 LMTLBLQTSYPWLT-OAHLLOKOSA-N 433.675 4.174 5 20 IIBD C[C@@H]1c2c(F)cccc2CCN1C(=O)c1cc([N+](=O)[O-])ccc1I 737698503 OZOKRTHUWJMKGK-SNVBAGLBSA-N 440.212 4.098 5 20 IIBD CCCCn1c(=O)c(CCC(=O)OCc2ccc(Cl)c([N+](=O)[O-])c2)nc2ccccc21 741931249 DJEWZTRCQSGJQE-UHFFFAOYSA-N 443.887 4.434 5 20 IIBD CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 741932337 TVVUSMFEQQJRFU-JLTOFOAXSA-N 430.888 4.291 5 20 IIBD O=C(OC[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 747245963 LBYOQTCPPHGQNE-CQSZACIVSA-N 436.386 4.323 5 20 IIBD CC[C@H](OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)C(=O)c1ccc(OC)cc1 751691165 RSDUAXIFPMDLGK-INIZCTEOSA-N 440.221 4.323 5 20 IIBD Cc1ccnc(Oc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3Cl)cc2)n1 753984042 PDXDNNYGOBYFMP-UHFFFAOYSA-N 434.861 4.248 5 20 IIBD COc1ccccc1[C@H](OC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccccn1 759610487 VAHQIXNDNLRXOF-QFIPXVFZSA-N 430.420 4.131 5 20 IIBD O=C(Nc1cccc(-c2noc([C@@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)n2)c1)c1ccco1 761531947 AYHNCOMMFDTMPE-IBGZPJMESA-N 445.391 4.356 5 20 IIBD O=C(O)c1oc2ccccc2c1CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 761702717 FSBZELPMOGZJBR-UHFFFAOYSA-N 448.381 4.334 5 20 IIBD Cc1cc(Cc2noc([C@H]3CC(=O)N(Cc4ccccc4Cl)C3)n2)ccc1[N+](=O)[O-] 762298328 LJIHHLRMBNEFKV-INIZCTEOSA-N 426.860 4.047 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c(Br)c1 763402612 KNULHAOMHIDWJY-STQMWFEESA-N 435.274 4.340 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1nc(-c2ccc(OC)cc2OC)no1 763807300 WMCBCRFZROCNPG-UHFFFAOYSA-N 445.453 4.131 5 20 IIBD COc1cc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c(C(=O)N2CCCCC2)cc1OC 764190918 AKEYTZVQNOSWHB-UHFFFAOYSA-N 447.875 4.144 5 20 IIBD Cc1ccc([C@H](O)CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)o1 764346680 AVFHMHWVTGTZFM-LJQANCHMSA-N 429.860 4.225 5 20 IIBD C[C@H](Sc1ncccc1C(=O)O[C@H](C)c1ccccc1[N+](=O)[O-])C(=O)N1CCCC1 764597451 MKAIDURUXJJFBM-CABCVRRESA-N 429.498 4.011 5 20 IIBD Cc1cc(C)c(Br)c(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 764625299 YAMGGSVMKSWFNB-UHFFFAOYSA-N 441.665 4.423 5 20 IIBD CCOC(=O)Nc1ccc(Br)cc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 765355440 FQTIMRFGANXOCV-UHFFFAOYSA-N 448.233 4.054 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCC1CCN(c2ccncc2)CC1 771716072 BMCCOYKQCXSVDI-UHFFFAOYSA-N 425.367 4.245 5 20 IIBD CC(=O)Nc1ccc(CC(=O)O[C@@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])cc1 774373137 JQPVPSZMFCIGIF-IBGZPJMESA-N 449.301 4.290 5 20 IIBD C[C@@H]1C[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCN1C(=O)OC(C)(C)C 775230893 JGFIFLREIDDHON-NVXWUHKLSA-N 432.521 4.057 5 20 IIBD Nc1ccc(-c2noc(C[C@@H](O)c3ccc(OCc4ccccc4)cc3)n2)cc1[N+](=O)[O-] 777710929 ZOBSDAXFADXVGC-OAQYLSRUSA-N 432.436 4.082 5 20 IIBD Cc1sc(NC(=O)COc2cc([N+](=O)[O-])ccc2I)c(C)c1C 780353169 FLWJQMBGYJBQGN-UHFFFAOYSA-N 446.266 4.204 5 20 IIBD C[C@@H](OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)N(C)Cc1cccc(F)c1 781260253 PWDFXGGLTHMTCY-OAHLLOKOSA-N 432.451 4.024 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1I)c1nc2ccccc2o1 781813162 IBGJWTPHZYDKLR-SECBINFHSA-N 438.177 4.259 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCCC[C@@H]2CN2CCCC2=O)cc1OC 782043041 WYHVUDQUULGDJG-PKOBYXMFSA-N 433.549 4.005 5 20 IIBD Nn1c(SCc2ccc([N+](=O)[O-])cc2Cl)nnc1-c1ccccc1Br 782216493 DQIFASFYERRKFD-UHFFFAOYSA-N 440.710 4.275 5 20 IIBD COc1ccccc1CN1C(=O)N[C@H](c2ccc([N+](=O)[O-])s2)C(C(=O)OC(C)C)=C1C 782248722 XDISCTHYVQCWOQ-LJQANCHMSA-N 445.497 4.157 5 20 IIBD CC(=O)[C@H](Cc1ccc(Cl)cc1F)OC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 786787035 YLIIAYROHCKKPP-IBGZPJMESA-N 446.818 4.058 5 20 IIBD O=C(COC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1c(Cl)cccc1Cl 790741635 DNYJYQYHRDPJDM-UHFFFAOYSA-N 435.622 4.419 5 20 IIBD COc1ccccc1CN(C[C@H]1CCCO1)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790810336 FIWVAVKYEJYQBB-MRXNPFEDSA-N 436.867 4.146 5 20 IIBD Cc1nc(COc2cccc(C(=O)OCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cs1 791638092 LMOYNHOBTLMVDN-UHFFFAOYSA-N 429.410 4.204 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)OCc2ccc(OCC3CC3)cc2)ccc1[N+](=O)[O-] 791989852 DRQFDICHYJGOBJ-QFIPXVFZSA-N 438.480 4.040 5 20 IIBD Cc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc([N+](=O)[O-])ccc2N)c(Br)c1 799025055 JAZFREIBNVYVKY-INIZCTEOSA-N 448.317 4.069 5 20 IIBD COC(=O)Nc1cccc(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 803544110 UHOCMDRATQBBCI-HNNXBMFYSA-N 449.467 4.271 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1 806443586 YNOKYPYLCWQNIC-UHFFFAOYSA-N 428.489 4.326 5 20 IIBD C[C@H](OC(=O)CSc1ccccc1[N+](=O)[O-])c1ccc(SCC(=O)N(C)C)cc1 809320268 XYNMSZFUUAXZKY-AWEZNQCLSA-N 434.539 4.172 5 20 IIBD C[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C[C@@H](c2ccsc2)O1 809826013 RVDVKEHUPAKLCL-XPTSAGLGSA-N 437.326 4.114 5 20 IIBD Cc1[nH]nc(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(NC(=O)OC(C)(C)C)cc32)c1[N+](=O)[O-] 812356008 LAZUGRGVOPALTF-CQSZACIVSA-N 445.476 4.006 5 20 IIBD CO[C@@](C)(C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CC1 812664457 JCZPKLKEULHHPN-WIYYLYMNSA-N 432.860 4.286 5 20 IIBD O=C(NC1CCCCC1)OC[C@@H]1CCCCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 813728726 KDDZXFVNDMBWPN-KRWDZBQOSA-N 428.489 4.130 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(Cl)c(F)cc2Cl)c([N+](=O)[O-])c1 815504304 RETFYXBLKQVUQI-QMMMGPOBSA-N 431.203 4.233 5 20 IIBD CC(=O)Nc1cccc(Nc2nnc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])s2)c1 913410758 BSOUKCBLYGRWGR-UHFFFAOYSA-N 432.443 4.208 5 20 IIBD COc1ccc(CSCC(=O)OCc2ncc(-c3ccc(F)cc3)o2)cc1[N+](=O)[O-] 914799888 GDHSBYYWZRLBDO-UHFFFAOYSA-N 432.429 4.374 5 20 IIBD C[C@@H](OC(=O)CCOc1ccc2ccccc2c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 914913195 VEHGBNDBXQCFJD-CQSZACIVSA-N 426.400 4.226 5 20 IIBD CCOc1ccc(-c2nc(C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)cs2)cc1 914990367 ALFONQKBHJBCSH-CYBMUJFWSA-N 441.465 4.301 5 20 IIBD CSc1ccc(C(=O)Oc2ccc(S(=O)(=O)c3ccccc3)cc2)cc1[N+](=O)[O-] 916443274 JSYMHNURJCWKSL-UHFFFAOYSA-N 429.475 4.369 5 20 IIBD Cc1ccc(C)c(NC(=O)[C@H](C)OC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 917258437 SSVRTTNJEKASEK-ZDUSSCGKSA-N 440.374 4.337 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)OC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 919526645 QFCJNHNBFACVOB-OAHLLOKOSA-N 447.451 4.063 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)OCCCOc2ccccc2Cl)cc1[N+](=O)[O-] 920150500 NLOVCXRVYQUWRL-UHFFFAOYSA-N 448.888 4.154 5 20 IIBD O=C(CCOc1cccc([N+](=O)[O-])c1)OCc1nnc(-c2ccc(Cl)cc2Cl)o1 920522910 VFQYTOJCPVIRAS-UHFFFAOYSA-N 438.223 4.464 5 20 IIBD Cc1nc(-c2cccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3N)c2)oc1C 1116948780 OXSALHMIEZWMFA-UHFFFAOYSA-N 431.246 4.464 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 1317844271 WTDPRJJKQIXARP-NRFANRHFSA-N 436.537 4.227 5 20 IIBD CC(C)(C)OC(=O)N[C@H](C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)c1cccc(Cl)c1 1318740474 NXZQLFZSHGXIKD-SFHVURJKSA-N 431.876 4.356 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1Cc2ccc([N+](=O)[O-])cc2C1 1318796779 JENPMXFDKLUJDN-UHFFFAOYSA-N 427.360 4.156 5 20 IIBD COCCn1c(-c2ccccc2Cl)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 1330056439 WYGOMQGWRGLQQR-UHFFFAOYSA-N 427.892 4.322 5 20 IIBD COC(=O)C[C@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1cccc(Cl)c1 1518425386 RDHSOBJTBPUCFV-JTQLQIEISA-N 447.694 4.106 5 20 IIBD COc1ccc(CC(=O)NC2(c3ccc(NC(=O)C4=CCCC4)cc3)CCC2)c([N+](=O)[O-])c1 1787622904 FFZSPCVWEYMZSM-UHFFFAOYSA-N 449.507 4.390 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])c(C(=O)NC2(c3ccc(NC(=O)C(C)(F)F)cc3)CCC2)c1 1787932985 FDDXQTOXLJPPPT-UHFFFAOYSA-N 446.454 4.064 5 20 IIBD CC(=O)C[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(F)c3[N+](=O)[O-])CCC2)cc1 1791541089 PYDRDUJYBNVVJW-AWEZNQCLSA-N 441.459 4.097 5 20 IIBD O=C(Cn1ccc2ccc([N+](=O)[O-])cc21)NC1(c2ccc(NC(=O)C3CC3)cc2)CCC1 1792065086 AWORWEIXADKUCE-UHFFFAOYSA-N 432.480 4.094 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2ccccc2o1)c1cccc(F)c1[N+](=O)[O-] 1797488086 ZXOALQWVPNDOAQ-MUJYYYPQSA-N 437.427 4.046 5 20 IIBD CCCCC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cc(F)ccc1[N+](=O)[O-] 1804314900 FLNLCPJMIARIKK-GEALJGNFSA-N 433.524 4.131 5 20 IIBD Cc1ccc(C(=O)N2CCC3(CCCN(C(=O)/C=C/c4ccc([N+](=O)[O-])o4)C3)CC2)s1 1805682467 RCEBMDUMHNONNT-QPJJXVBHSA-N 443.525 4.116 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCC2(CCCN(C(=O)CCC3CCC3)C2)CC1 1805796928 USTFYNOWPBMFDN-UHFFFAOYSA-N 445.535 4.088 5 20 IIBD CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])cc3F)[nH]n2)CCCC1 1814531074 JMCUMZQTIHFYSW-SFHVURJKSA-N 443.479 4.343 5 20 IIBD O=C(CCc1ccsc1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823611739 JETPVMQPBYELAM-SFHVURJKSA-N 445.541 4.115 5 20 IIBD CC1=CC[C@@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)CC1 1828343580 IDUFSIWMFVDTOG-MOPGFXCFSA-N 429.517 4.168 5 20 IIBD Cc1c(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cccc1[N+](=O)[O-] 11397713 MAPIVOZUCBOONB-NSHDSACASA-N 447.419 4.489 5 20 IIBD Cc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)cc1[N+](=O)[O-] 15410036 CQKJDEXAJZYHCH-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD CCCCc1ccc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 15612547 PYVLGOPARKBRIT-UHFFFAOYSA-N 445.522 4.479 5 20 IIBD CCn1c(C)cc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1C 17887474 ICWOIHHOQHGYKQ-GFCCVEGCSA-N 427.379 4.236 5 20 IIBD Cc1ccc(-c2csc(NC(=O)COC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)cc1 28300575 MDAQFTJRLKVKRJ-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD COc1cc(C(=O)Nc2cccc(Oc3cnccn3)c2)c([N+](=O)[O-])cc1OC(F)F 33137349 VMHQGEANYIDDNU-UHFFFAOYSA-N 432.339 4.039 5 20 IIBD CCOc1ccc([C@@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1OCC 58620536 AEJJZRUJHHEILP-NRFANRHFSA-N 436.530 4.209 5 20 IIBD CCN(CC)CCn1ccc2cc(NC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)ccc21 60270994 FOGJRGOOJOTJAB-UHFFFAOYSA-N 446.511 4.329 5 20 IIBD Cc1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1 60412118 KWCRWIJZCICXRR-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD O=C(CN[C@@H](C(=O)Nc1ccccc1)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl 63512497 KBLNUXJYWXZGRT-OAQYLSRUSA-N 438.871 4.156 5 20 IIBD O=C(NC[C@H]1CCCN(Cc2cccs2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 65129882 XSBOZXYECURCQU-OAHLLOKOSA-N 442.566 4.422 5 20 IIBD O=C(NCc1cc(Br)ccc1OC(F)F)c1cc2cccc([N+](=O)[O-])c2[nH]1 109944830 WXQOHVVKQAJYMI-UHFFFAOYSA-N 440.200 4.370 5 20 IIBD CSc1ccc(C(=O)N2CCN(Cc3csc(C(C)(C)C)n3)CC2)cc1[N+](=O)[O-] 195679488 ACROQUQETLVJFP-UHFFFAOYSA-N 434.587 4.029 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc2nc(/C(Cl)=C\c3cccc([N+](=O)[O-])c3)[nH]c2c1 206100809 AUYGTNWKEIIBMN-LFIBNONCSA-N 434.905 4.239 5 20 IIBD O=c1c(Cl)c(NC2CCC(N3CCCCC3)CC2)cnn1-c1ccc([N+](=O)[O-])cc1 301546290 PAMWAWKJSYIJCQ-UHFFFAOYSA-N 431.924 4.003 5 20 IIBD CC(C)C[C@@H]1COCCN1C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 303597113 NGNDFSWQTDZFBE-HSZRJFAPSA-N 448.523 4.264 5 20 IIBD O=C(Nc1cccc(C[S@](=O)Cc2ccccc2)c1)c1n[nH]c2ccc([N+](=O)[O-])cc12 303626235 FAHLQMIXWICIFL-WJOKGBTCSA-N 434.477 4.172 5 20 IIBD O=C(Cc1csc(NC(=O)c2cccs2)n1)NCCCCc1ccc([N+](=O)[O-])cc1 303746107 AOGWZPRZUAUYPK-UHFFFAOYSA-N 444.538 4.047 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 426920676 IXYQAFBBOFBKII-UHFFFAOYSA-N 439.295 4.388 5 20 IIBD Cc1nn(CCC(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)c(C)c1[N+](=O)[O-] 431154505 ZFLMCMSMUJBMPR-MRXNPFEDSA-N 439.285 4.064 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 431917179 UJRYODNWSZFZBS-MRXNPFEDSA-N 443.656 4.364 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc(Br)c1F 433104935 NRDKXEDMURLPSY-SECBINFHSA-N 440.225 4.166 5 20 IIBD O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 436162418 FLKNQFXYWPASGV-UHFFFAOYSA-N 428.452 4.233 5 20 IIBD Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C 436350347 UZLBRBVPQIOSSH-KRWDZBQOSA-N 433.390 4.216 5 20 IIBD CC(C)CCOc1cccc(NC(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 437068696 KLGUSYAMQHRCAY-UHFFFAOYSA-N 425.485 4.149 5 20 IIBD CCOc1ccc(-c2noc(CCC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)n2)cc1 437482657 DOWDRAPZINMCPU-UHFFFAOYSA-N 436.468 4.167 5 20 IIBD COc1cc(C(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OC(F)F 438461043 NTWYZHFIXJDRDC-UWVGGRQHSA-N 426.338 4.303 5 20 IIBD COc1cc(CCNC(=O)Nc2ccnc(Oc3ccccc3)c2)c([N+](=O)[O-])cc1OC 438490253 ZMBJMOYPTKDECM-UHFFFAOYSA-N 438.440 4.164 5 20 IIBD CO[C@@H](C)c1nc(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cs1 438989299 YTPAZHIVFTYQBJ-AWEZNQCLSA-N 426.498 4.301 5 20 IIBD O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 443317806 YQSZFHVHFDOIPZ-LJQANCHMSA-N 428.448 4.056 5 20 IIBD CCc1[nH]nc(C(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)c1[N+](=O)[O-] 444290657 HPYBTRUVSGAUQF-UHFFFAOYSA-N 436.291 4.327 5 20 IIBD COc1cc(CCNC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])cc1OC 460794366 NOYFARMMBKXWLE-HZPDHXFCSA-N 439.295 4.381 5 20 IIBD Cn1cccc1-c1nnc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1Cc1cccs1 461017461 SQUJHFLISFKSET-UHFFFAOYSA-N 434.525 4.471 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1C[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 461432364 UQSZVTKYBPCOEE-WOJBJXKFSA-N 448.548 4.312 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 462762903 CJFTYYQKBIKRHA-JXFKEZNVSA-N 434.439 4.365 5 20 IIBD CN(CCc1cccc(Br)c1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 462833978 NWDCMJJXBBPZHK-UHFFFAOYSA-N 432.318 4.272 5 20 IIBD CC(C)OC(=O)[C@H](C)CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 464198779 JCBRFTQDTYLOJJ-CQSZACIVSA-N 433.892 4.178 5 20 IIBD Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 464460194 MNIPNQZUQLBYGQ-UHFFFAOYSA-N 441.875 4.379 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCOC[C@@H]2c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 464715384 XWYHWDMSWGHIKQ-GAJHUEQPSA-N 432.480 4.377 5 20 IIBD Cc1cnc(CCNC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)nc1 466542447 QZWOXDAJSCEHIA-UHFFFAOYSA-N 428.901 4.470 5 20 IIBD O=C(Cc1ccc(NC(=O)NCCc2ccccc2[N+](=O)[O-])cc1)Nc1ccccc1F 467996710 XFXFAGVALNJIOH-UHFFFAOYSA-N 436.443 4.279 5 20 IIBD O=C(Nc1ccc(Cc2nnc3n2CCCCC3)cc1)c1c[nH]c2cccc([N+](=O)[O-])c12 468572315 UNQHTEWRIFPZHR-UHFFFAOYSA-N 430.468 4.237 5 20 IIBD CC(C)(C)OC(=O)CCc1cccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 471366077 KLDIDLKWXXSNLW-UHFFFAOYSA-N 425.485 4.459 5 20 IIBD COC(=O)COc1ccc(CNc2ccc(Oc3ccc(F)cc3)nc2)cc1[N+](=O)[O-] 473489764 QJOBLPKSMGTJIO-UHFFFAOYSA-N 427.388 4.085 5 20 IIBD COC(=O)COc1ccc(CNC2(c3cccc(Br)c3)CCC2)cc1[N+](=O)[O-] 474363114 MTBJHJYGZKCJHY-UHFFFAOYSA-N 449.301 4.078 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1 475551862 ZBKPMPUUUJUBOR-SFHVURJKSA-N 426.517 4.233 5 20 IIBD COC(=O)[C@@H]1CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C[C@H]1C 476753067 HKWJBNQXDIHDCS-RHSMWYFYSA-N 445.903 4.132 5 20 IIBD COc1ccc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c(Br)c1 477485605 RNRYDUUEKWJBQE-UHFFFAOYSA-N 428.670 4.384 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(CCC(F)(F)F)cc1 478123594 VJKOOXGBJGFJDI-UHFFFAOYSA-N 443.809 4.041 5 20 IIBD CN(C)C(=O)C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)c2ccc(Cl)cc21 485141673 LUVLEGLHJVXLPB-SNVBAGLBSA-N 439.697 4.119 5 20 IIBD CCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H](C)Cc1ccccc1C(F)(F)F 485273810 KCVJTVFVYTWOKJ-AWEZNQCLSA-N 437.418 4.340 5 20 IIBD O=C1CCC(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)cc2)=NN1 485607093 JTOIZIJHOFTDKF-UHFFFAOYSA-N 430.420 4.254 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)CCCc2ccccc2)CC1 486261939 OUIDPDDYACKAFA-UHFFFAOYSA-N 441.553 4.014 5 20 IIBD CCOC(=O)c1cc2cc(NC(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)ccc2s1 487874810 RESURCPKEOMVPM-UHFFFAOYSA-N 443.485 4.052 5 20 IIBD CCOC(=O)c1ccnc(N2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)c1[N+](=O)[O-] 488481286 SYGDGEGWBPQBPH-MLGOLLRUSA-N 439.390 4.152 5 20 IIBD O=C(CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Oc2cccc(Cl)c2)cc1 489650635 QADLOSNHFSRTNQ-UHFFFAOYSA-N 446.868 4.453 5 20 IIBD CCn1c(SCCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)nnc1-c1ccc(F)cc1 489679400 XZUWUXBPTBUJFL-UHFFFAOYSA-N 445.476 4.142 5 20 IIBD Cc1cc(C)c(-c2cc(NC(=O)c3nnn(-c4cccc([N+](=O)[O-])c4)c3C)n[nH]2)cc1C 490089259 HBPVACMZINLCDU-UHFFFAOYSA-N 431.456 4.052 5 20 IIBD O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1ccc([N+](=O)[O-])cc1Br 490268967 DUDVFDMFNSINQS-JTQLQIEISA-N 442.672 4.159 5 20 IIBD COc1ccccc1-c1noc([C@@H](C)NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 494457558 QEHQTXONCRINOZ-CQSZACIVSA-N 437.456 4.089 5 20 IIBD CN(C(=O)c1ccc(C(=O)N(C)c2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc(F)cc1 495094441 PYKYOUQCZJXZBI-UHFFFAOYSA-N 425.391 4.426 5 20 IIBD Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1I 497753351 NSWYYMJLURUYHV-UHFFFAOYSA-N 433.205 4.308 5 20 IIBD COc1ccc(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])cc1Oc1ccc(C)nn1 498338814 JNXNZNRCABJDPO-UHFFFAOYSA-N 438.440 4.210 5 20 IIBD O=C(N[C@@H]1CCOc2c(Cl)cccc21)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 501630610 RVMWYQBGOPBFGB-CQSZACIVSA-N 430.766 4.443 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2cccc3c2OCCC3=O)cc1[N+](=O)[O-])c1ccccn1 503672728 SDVSJHOOWBRSJF-CQSZACIVSA-N 432.436 4.380 5 20 IIBD CCOC(=O)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 505321042 PNEQUNFZVJLXGF-UHFFFAOYSA-N 437.290 4.392 5 20 IIBD COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] 505491282 MWCHLCSDGJHHSD-UHFFFAOYSA-N 431.452 4.222 5 20 IIBD C[C@@H]1CCCCN1C[C@@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 505929686 GKUGHYXNTPBSSN-RTWAWAEBSA-N 431.580 4.268 5 20 IIBD C[C@@H](Oc1ccc2ccccc2c1)c1nnc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1C 507925006 RLUOYKJBIJZAHD-MRXNPFEDSA-N 447.499 4.055 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@H](CC(F)(F)F)c1ccc(F)cc1 509279007 KWBJVTHNHYDPIL-OAHLLOKOSA-N 437.349 4.471 5 20 IIBD CCOCc1cccc(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)c1 509494190 RDLAVQGRTSQSSR-UHFFFAOYSA-N 440.237 4.297 5 20 IIBD COc1ccc(C2(CNC(=O)c3cc([N+](=O)[O-])ccc3OC)CCCCC2)cc1OC 510608071 RSMNPMVABMSEDK-UHFFFAOYSA-N 428.485 4.253 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCC(Cn2ccnn2)CC1 511198308 LQDDXBKFRAXAPK-UHFFFAOYSA-N 441.875 4.184 5 20 IIBD COc1ccccc1Oc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)cc1F 511714954 XHOIPAVZBXIFEN-UHFFFAOYSA-N 448.428 4.344 5 20 IIBD CCOC(=O)[C@H](C)[C@H](C)N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 514233055 UPKFEVGNDZNJSA-TYILLQQXSA-N 433.892 4.105 5 20 IIBD O=C(Nc1cccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1)c1cccnc1 515193562 YLLGRAUZXUPYOA-UHFFFAOYSA-N 432.461 4.387 5 20 IIBD O=C(Nc1ccc(OC(F)F)c2ncccc12)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 516072254 BPEMCQXMNITWLR-UHFFFAOYSA-N 443.410 4.099 5 20 IIBD CCc1cccc2c(C3CCN(C(=O)C(=O)Nc4ccc(C)c([N+](=O)[O-])c4)CC3)c[nH]c12 516481260 YPNBVQVUZLEUFC-UHFFFAOYSA-N 434.496 4.292 5 20 IIBD O=C(c1cc(C(=O)N2CC[C@@H](CC3CC3)C2)cc([N+](=O)[O-])c1)N1CC[C@@H](CC2CC2)C1 517613504 ZKOVFVOMHHECFH-OALUTQOASA-N 425.529 4.119 5 20 IIBD O=C(Nc1ncc(-c2ccccc2)s1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 518902147 RBDBVLAIRZFBPL-CYBMUJFWSA-N 428.495 4.023 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N(Cc2ccccc2)CC2CCOCC2)cc1OC 520320306 WEMOTFQOUXDGON-UHFFFAOYSA-N 428.485 4.071 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 523187534 GUUBLTGEUGUEDJ-UHFFFAOYSA-N 440.681 4.078 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 524351576 PPIKZQCQNXKYQO-UHFFFAOYSA-N 432.461 4.126 5 20 IIBD CCOc1cc(CN[C@H]2CCSC2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 527239279 KBZNERHLXGZGCV-SFHVURJKSA-N 446.525 4.034 5 20 IIBD CN(C(=O)CN1CCC(c2nc3cc(Cl)ccc3o2)CC1)c1ccc([N+](=O)[O-])cc1 532660331 VWPCRGILXHCHPG-UHFFFAOYSA-N 428.876 4.232 5 20 IIBD CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)c1ccc(C(=O)NC)cc1[N+](=O)[O-] 532906792 JQIHGHWTWBCNGP-UHFFFAOYSA-N 439.299 4.116 5 20 IIBD COc1ccc(C[C@@H](C)CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 536493839 ZKWNOFGOIVHWGY-ZIAGYGMSSA-N 436.892 4.028 5 20 IIBD Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)C2)nc1 537133909 BKFZYVHTCJVEDC-INIZCTEOSA-N 442.541 4.290 5 20 IIBD COc1cc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1OCc1cccs1 538737120 FSLFBAMRCNLESZ-QGZVFWFLSA-N 440.525 4.325 5 20 IIBD O=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 541228695 KTUJQCGAYAFKOO-UHFFFAOYSA-N 442.357 4.237 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(-c3ccc(OCc4nnc5n4CCCCC5)cc3)no2)c1 544914811 ZQNQSNVQMXKCJJ-UHFFFAOYSA-N 432.440 4.209 5 20 IIBD O=C(c1ccc(Oc2ccccc2)o1)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 545332913 MXJZZVATSBVPSU-UHFFFAOYSA-N 447.451 4.209 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(-c3cnc(Oc4ccccc4)cn3)no2)ccc1N1CCCC1 545812376 BWYNFTZDNFQIMK-UHFFFAOYSA-N 430.424 4.494 5 20 IIBD CC[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[C@@H](c1ccc(C)cc1)n1cncn1 545831483 BVHACEAYHZOYBE-NHCUHLMSSA-N 439.491 4.096 5 20 IIBD Cc1c(C(=O)NC2(c3ccc(Cl)c(Cl)c3)CC2)nnn1-c1cccc([N+](=O)[O-])c1 545962787 RRURXQLFGIXDHI-UHFFFAOYSA-N 432.267 4.210 5 20 IIBD O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCOC2(CCOCC2)CC1 546714286 HWMCUBROKQUFLL-UHFFFAOYSA-N 428.510 4.158 5 20 IIBD COc1ccc(Cc2nc([C@@H](OC)c3ccc(Br)cc3)no2)cc1[N+](=O)[O-] 547221191 GKJDKCIUWGWJIW-KRWDZBQOSA-N 434.246 4.076 5 20 IIBD COc1ccc(OC)c(CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C(C)(C)C)c1 549271502 LZKBXDJFCGHLSA-UHFFFAOYSA-N 438.484 4.239 5 20 IIBD COC(=O)CC1CCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 551469336 XNLKNJSNIQNQAT-UHFFFAOYSA-N 428.510 4.470 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC1(c2ccccc2)CCOCC1 555816458 KGJSBCMZAGEGNS-UHFFFAOYSA-N 433.302 4.144 5 20 IIBD Cc1cc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)ccc1-c1ccncc1 556129299 ZBIAHNITKCMWGD-UHFFFAOYSA-N 432.480 4.341 5 20 IIBD O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCC[C@](O)(C(F)(F)F)CC1 557618814 FZXWMYZNXXMVGU-HXUWFJFHSA-N 438.402 4.093 5 20 IIBD CC1CCN(c2ccc(C(=O)N3C[C@H](c4ccccc4)[C@@H]4COCC[C@H]43)cc2[N+](=O)[O-])CC1 561189343 GKHZOQLYJPVPPR-XPWALMASSA-N 449.551 4.476 5 20 IIBD CC(=O)NCC[C@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 561652825 IJJQYNKPQSYEMK-QGZVFWFLSA-N 427.526 4.124 5 20 IIBD COc1cc(CN2CCN(c3ccnc4ccccc34)CC2)c([N+](=O)[O-])cc1OC(F)F 570728450 QTEJNZQWRUKKNG-UHFFFAOYSA-N 444.438 4.075 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCc1cccc(OCc2ccccc2)c1 572187215 HUNYPSWEOQPROU-UHFFFAOYSA-N 433.464 4.046 5 20 IIBD CCOc1ccc(NS(=O)(=O)c2cccc(Cl)c2Br)c([N+](=O)[O-])c1 572200920 LRNPZGYUFGPJEO-UHFFFAOYSA-N 435.683 4.210 5 20 IIBD COC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1Cl 581085397 IEGAEVIURCVSJV-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1Sc1nnc(-c2ccc(OC)cc2)n1Cc1ccco1 581844895 BPOBETRYGWLIGM-UHFFFAOYSA-N 440.485 4.179 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(C[S@](=O)Cc3cc4c(cc3Cl)OCCO4)co2)cc1 582445059 BGXUGPJAJSFNKC-GDLZYMKVSA-N 434.857 4.123 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCCc2ccc3c[nH]nc3c2)cc1[N+](=O)[O-])c1ccccn1 586831124 ARKUFCRHCSROHC-OAHLLOKOSA-N 430.468 4.012 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC(c2c(OC)cc(OC)cc2OC)CC1 587127637 DKUVQQGAJUMFCN-UHFFFAOYSA-N 444.484 4.100 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(c2cc(C)ccc2OC)CCOCC1 589374108 SGXORUDOOMTVPD-UHFFFAOYSA-N 427.501 4.344 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)C1CC(c2ccc(F)cc2)C1)c1ccccc1[N+](=O)[O-] 590060648 OOHHIRSHDAMYIR-LBXVMSDZSA-N 428.460 4.427 5 20 IIBD O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 603655526 RLBCGZMRLYTIIE-UHFFFAOYSA-N 444.451 4.152 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc(OCc2noc(C3CC3)n2)cc1 609482983 XIADJWSPDYTNFS-UHFFFAOYSA-N 433.424 4.028 5 20 IIBD C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609551172 JLTGMCQTZPIFOM-HXPMCKFVSA-N 427.844 4.104 5 20 IIBD O=C(NC1CC1)c1ccc(N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)c([N+](=O)[O-])c1 609670732 JBOLRODEFWHNAE-MRXNPFEDSA-N 434.418 4.197 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 609765944 IWEFPKFDGMAIGB-UHFFFAOYSA-N 448.447 4.468 5 20 IIBD CCc1ccc(NC(=O)[C@H](C)SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cc1 609770685 JCEKHOLNBXIEFW-AWEZNQCLSA-N 429.498 4.216 5 20 IIBD CC(C)CCSc1ccc(C(=O)Nc2sccc2S(C)(=O)=O)cc1[N+](=O)[O-] 609881458 QUQUAUOPIFHBTO-UHFFFAOYSA-N 428.557 4.450 5 20 IIBD Cc1cccn2cc(COc3ccc(C(=O)N4CCc5c4cccc5[N+](=O)[O-])cc3)nc12 609971992 TYGNSFMCIOBBJB-UHFFFAOYSA-N 428.448 4.333 5 20 IIBD COc1cc(C(=O)NCC(C)(C)c2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1OC 610174345 ODCIZFPJOYLICR-UHFFFAOYSA-N 426.391 4.338 5 20 IIBD O=C(Nc1ccc(COCc2ccccc2)cc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 610329333 BRKCBZRBJMAWQJ-UHFFFAOYSA-N 447.495 4.061 5 20 IIBD CCOc1ccc2c(c1)[C@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])CCO2 613943820 HRYKDWZJJRDAER-MRXNPFEDSA-N 440.374 4.188 5 20 IIBD O=C(Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])c1ccc(N2C(=O)CCC2=O)cc1 615040759 CUNORPSPZKXNOM-UHFFFAOYSA-N 445.431 4.080 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CC[C@@H](Oc2cccc(F)c2)C1 672955284 YOXCMMAGBFYCCY-QGZVFWFLSA-N 438.405 4.392 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(SC(F)F)c2)cc1OC 727345124 YKBHLSCOMXFZDQ-UHFFFAOYSA-N 428.413 4.196 5 20 IIBD O=C(COC(=O)c1c[nH]nc1C1CCCCC1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 727891200 QBMLBWOROSGXTD-UHFFFAOYSA-N 440.378 4.180 5 20 IIBD CCOCCCn1c(NC(=O)c2cc([N+](=O)[O-])ccc2Br)nc2ccccc21 727999462 OVDUQFHAYWVVRB-UHFFFAOYSA-N 447.289 4.386 5 20 IIBD COc1ccc(-c2nsc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)n2)cc1 728484846 RZWDBVOOAPGPGG-UHFFFAOYSA-N 439.497 4.365 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 730111836 ZDYISZZYJPTRSE-GFCCVEGCSA-N 426.901 4.405 5 20 IIBD C[C@@H](OC(=O)c1ccc(Cl)c(Cl)c1O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 730360489 IHIRONOQYDIASQ-SSDOTTSWSA-N 433.631 4.445 5 20 IIBD COC(=O)NCCCC(=O)Nc1cc([N+](=O)[O-])ccc1Nc1cccc(C(F)(F)F)c1 730740750 KPGMRFYFBDKLTN-UHFFFAOYSA-N 440.378 4.432 5 20 IIBD O=C(COC(=O)c1cc(F)cc([N+](=O)[O-])c1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 731528920 RBAQUMRRHSTJJV-NRFANRHFSA-N 442.830 4.450 5 20 IIBD C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)c1nc2ccc(Cl)cc2[nH]1 732568889 PCXZBNSPGSWEJK-GFCCVEGCSA-N 449.920 4.082 5 20 IIBD Cc1c(C(=O)NCc2ccccc2CN2CCCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 732938291 CMGNBOJLIZSTPE-UHFFFAOYSA-N 426.473 4.117 5 20 IIBD COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3cc(C)cc([N+](=O)[O-])c3N)s2)cc1 733809866 KIFUOTMQLRPSQM-GFCCVEGCSA-N 426.498 4.417 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cc1)c1ccc(F)cc1 735271953 JDGWYWPPJKCFEZ-UHFFFAOYSA-N 447.378 4.459 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)Cc1csc(NC(=O)c2ccccc2)n1 735644847 UWMLVRKZVONZOA-UHFFFAOYSA-N 431.857 4.414 5 20 IIBD O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 735801377 ZCUSDHBAHLROBM-UHFFFAOYSA-N 438.814 4.122 5 20 IIBD CC1=C(C(=O)N(C)C)[C@@H](c2ccc([N+](=O)[O-])o2)NC(=S)N1c1ccc(C(C)(C)C)cc1 736536715 BUAFFWOABBIRCG-LJQANCHMSA-N 442.541 4.283 5 20 IIBD C[C@H]1C[C@H](c2ccc(F)cc2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 736642027 RDCKBMNXTGGPSD-AAEUAGOBSA-N 443.294 4.063 5 20 IIBD COc1ccccc1-n1c(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)nc2ccccc21 741989626 RYCMMNWNPVSUTH-UHFFFAOYSA-N 436.399 4.099 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@@H]1COc1ccc(Cl)cc1 742289301 QJFSTVSZHRKTDR-GOSISDBHSA-N 426.860 4.118 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(S(=O)(=O)c3ccc(OC4CCCC4)cc3)CC2)cc1 742341402 JMMQKUSNVHBMAN-UHFFFAOYSA-N 446.525 4.148 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCC[C@H](O)c3ccccc3)cc2[N+](=O)[O-])n1 742825837 WVUDRFMKXKASFL-KRWDZBQOSA-N 429.523 4.364 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@@](C)(O)c2cc(C)oc2C)cc1 743510354 KYDHNTYVMDLRPX-HSZRJFAPSA-N 440.452 4.243 5 20 IIBD Cc1ccc(F)c(NC(=S)/C(=C(/O)c2cccc([N+](=O)[O-])c2)[n+]2cccc(CO)c2)c1 744117403 WCEMVSXVBUEEPQ-UHFFFAOYSA-O 440.476 4.145 5 20 IIBD O=C(OCc1nnc(-c2cccc(F)c2)o1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 744554544 RJKZBPSUQADTEZ-UHFFFAOYSA-N 426.404 4.131 5 20 IIBD COC[C@H](C)n1c(C)cc(C(=O)COC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C 745567097 DLSVZRBASLUYCE-LBPRGKRZSA-N 442.390 4.279 5 20 IIBD Cc1c(COc2ccccc2)cccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 747618830 ZWXRFSYBVPEPLJ-UHFFFAOYSA-N 443.437 4.191 5 20 IIBD Cc1cc(Cl)ccc1Oc1ccc(COC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)cc1 748499014 ZGPNRKGWXMAVBG-UHFFFAOYSA-N 428.828 4.254 5 20 IIBD Cc1c(C(=O)NCc2ccc(CN3CCCC[C@H]3C)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748713324 ZBZXUGMYDXIDEY-OAHLLOKOSA-N 440.500 4.424 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)O[C@H](C)c2ccccc2[N+](=O)[O-])CC1 749060023 UXRKQZHKWQZLNQ-CQSZACIVSA-N 446.887 4.413 5 20 IIBD CC(C)(C)OC(=O)Nc1cc2c(cc1NC(=O)CSc1ccc([N+](=O)[O-])cc1)OCO2 750088356 NVVRJBCJENKVQP-UHFFFAOYSA-N 447.469 4.401 5 20 IIBD O=C(NCc1cccc(OCC(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1Br 751088960 PPKKVHSLEPCMIH-UHFFFAOYSA-N 433.180 4.228 5 20 IIBD Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])c(Br)cc2F)c1C 751692196 MVRXTSUBWYBCAS-LLVKDONJSA-N 439.237 4.297 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)cc1[N+](=O)[O-] 752138886 WNPHBCUXPMQMIP-OAHLLOKOSA-N 444.919 4.363 5 20 IIBD CCOC(=O)Nc1ccc(OC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1 754999871 GBDWEOQSFUJTJW-UHFFFAOYSA-N 427.182 4.284 5 20 IIBD Cc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1C(=O)NC(C)C 755001563 OZMZZMLXQSHHJI-UHFFFAOYSA-N 438.253 4.195 5 20 IIBD CCCCCC(=O)NC1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 755030111 MFRKWPGIHOYMEZ-UHFFFAOYSA-N 441.326 4.050 5 20 IIBD C[C@H](C(=O)OCC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1F 755058872 FWPIPVVLAPLAFI-NSHDSACASA-N 443.258 4.346 5 20 IIBD CCOc1cc(OS(=O)(=O)c2cccc(Cl)c2Br)ccc1[N+](=O)[O-] 755134503 LSXXXYZHYYETJL-UHFFFAOYSA-N 436.667 4.177 5 20 IIBD COc1ccc(CCC(C)=O)cc1OC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 756022062 UBWUPVZFJRNQQW-UHFFFAOYSA-N 436.258 4.415 5 20 IIBD Cc1cccc(Cl)c1NC(=O)COC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 757696072 BHHVHVMAWFVMGR-NSHDSACASA-N 427.240 4.159 5 20 IIBD O=C(OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1cncc(-c2ccccc2)c1 757892243 SUSARBKGMGRLGX-FQEVSTJZSA-N 431.448 4.118 5 20 IIBD O=C(COC(=O)c1ccc(F)cc1[N+](=O)[O-])N[C@H](c1ccccc1)c1ccc(Cl)cc1 758111915 COACELPOSHXHAD-OAQYLSRUSA-N 442.830 4.450 5 20 IIBD C[C@@H](NC(=O)COC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc2ccccc12 758739769 MNLNQLDKSZMFRJ-OAHLLOKOSA-N 431.448 4.192 5 20 IIBD CCOC(=O)c1ccc(F)c(C)c1NC(=O)c1cccc([N+](=O)[O-])c1Br 759088774 TWGYOANKBIPQLK-UHFFFAOYSA-N 425.210 4.234 5 20 IIBD COc1ccc(SC)c(OC)c1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 763528297 XGHZQLQCNFUKPT-UHFFFAOYSA-N 427.276 4.349 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)c1ccnn1C1CCCC1)c1cccc([N+](=O)[O-])c1 764932457 ZSTGCNSTDQOVPS-GOSISDBHSA-N 440.500 4.148 5 20 IIBD COc1cc(CSc2nnc(COc3ccc(C(C)C)cc3)n2N)c([N+](=O)[O-])cc1F 766040913 XHPOMJSXJNISCJ-UHFFFAOYSA-N 447.492 4.043 5 20 IIBD O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCC[C@@H](N2CCCCC2=O)C1 768032677 QTSOVOHSAPYTQE-LJQANCHMSA-N 439.537 4.363 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CCCC[C@@H]2C2OCCO2)cc1 769301703 XNZUSCDWQHUBQI-JOCHJYFZSA-N 434.496 4.175 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)c2c(C)noc2C)cc1 772001023 QLWNATQZLMQGHD-UHFFFAOYSA-N 426.381 4.040 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCc2ncc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2C1 777235975 ODYPQVZRTPIVNT-CYBMUJFWSA-N 446.891 4.278 5 20 IIBD CC[C@H]1C[C@H](OC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)CCO1 779303376 OFKVTIXDCCLKIR-DLBZAZTESA-N 426.469 4.006 5 20 IIBD COc1cccc(CN2CCC(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CC2)c1 780409643 YHLRMQARCZYOPI-UHFFFAOYSA-N 441.531 4.084 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCc1nc2cc(C(F)(F)F)ccc2o1 781735935 SUJOVTDEKDBIBA-UHFFFAOYSA-N 439.302 4.339 5 20 IIBD CC(=O)Nc1cccc(C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1C 785465165 DOYGGJCSRYDUDE-UHFFFAOYSA-N 433.420 4.333 5 20 IIBD Cc1cc(CC(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)no1 785963278 CJFFYLFSQVQSRJ-LJQANCHMSA-N 429.816 4.010 5 20 IIBD COc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)NCc2cccc([N+](=O)[O-])c2C)c1 790563514 CRPIMDLUDGQQSS-XMMPIXPASA-N 449.507 4.357 5 20 IIBD C[C@@H](OC(=O)c1cc(Cl)cc(F)c1Br)C(=O)Nc1ccccc1[N+](=O)[O-] 792697951 HUGLGCKUUOMRPP-MRVPVSSYSA-N 445.628 4.334 5 20 IIBD C[C@@H](OC(=O)CCc1cnc2ccccc2c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 795802303 RUYBYRMEHHCOOH-CYBMUJFWSA-N 427.844 4.299 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)C[C@H]2CCCC[C@@H]2O)c2ccccc2)c([N+](=O)[O-])c1 796143310 RNOFKMJJBNKFTK-AGHHOFFYSA-N 426.469 4.067 5 20 IIBD O=C(c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O)N1CCC(Cc2ccccc2)CC1 798151149 BCJRAOIQUYASGU-UHFFFAOYSA-N 440.887 4.234 5 20 IIBD COc1ccccc1-n1ncc(C(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])c1C 798492969 GVHNUAFWXGZJQG-HSZRJFAPSA-N 444.447 4.439 5 20 IIBD Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)C(=O)Nc1c(F)ccc([N+](=O)[O-])c1C 800631896 MLKDFNFWLXAPPI-CQSZACIVSA-N 428.464 4.307 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1F)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1 808613659 UUKWSXWSUNWXOZ-UHFFFAOYSA-N 439.436 4.093 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 810141562 BSCGOCRQSWHFKB-MRXNPFEDSA-N 448.520 4.104 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)C1 813519280 UKWSGPKKNPJATC-LJQANCHMSA-N 444.315 4.375 5 20 IIBD C[C@H](NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1ccc(C(F)(F)F)nc1Cl 816762425 YMBWYFFDILAVHQ-QMMMGPOBSA-N 440.765 4.407 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C2)C1 817642630 XVHUVJCQWZAMSC-HOTGVXAUSA-N 435.496 4.233 5 20 IIBD O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 912660226 YJVNAYUDCFJTPH-UHFFFAOYSA-N 442.686 4.153 5 20 IIBD Cc1ccc(-c2cnc(CCC(=O)OCc3nc(-c4cccc([N+](=O)[O-])c4)no3)o2)cc1 914902645 USEYDBWAWBLZDB-UHFFFAOYSA-N 434.408 4.284 5 20 IIBD O=C(NCc1ccccn1)c1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1Cl 916085748 PEHJUUXSJZCCLE-UHFFFAOYSA-N 445.262 4.479 5 20 IIBD COCCNC(=O)/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc2ccccc2[nH]1 916155088 HSDXPGZXAHTBBR-NBVRZTHBSA-N 432.436 4.034 5 20 IIBD O=C(Cc1coc2ccc3ccccc3c12)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 916754381 IRFXALDIPITTKG-UHFFFAOYSA-N 444.852 4.195 5 20 IIBD CC(C)c1ccc([C@H](NC(=O)COC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C(C)C)cc1 919220101 DMVUXFNQBYIAFD-OAQYLSRUSA-N 443.456 4.297 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(-c2nnc(CN3CCN(Cc4ccccc4Cl)CC3)o2)c1 1117239133 BFCOBTKTJIWFLH-UHFFFAOYSA-N 448.310 4.269 5 20 IIBD Cc1c([C@H](C)NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cnn1C 1318451013 KLFNWNQOXCUNAD-LBPRGKRZSA-N 441.875 4.033 5 20 IIBD COc1cc(Cl)ccc1-c1nnc(-c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)o1 1323050098 YWYGPSBNJDLANM-UHFFFAOYSA-N 444.860 4.254 5 20 IIBD Cc1ccc([C@H](C)C(=O)NC2(c3ccc(NC(=O)c4n[nH]cc4[N+](=O)[O-])cc3)CCC2)cc1 1789691455 HRLHJHOWQRYINZ-INIZCTEOSA-N 447.495 4.178 5 20 IIBD Cc1nc(C(=O)NC2(c3ccc(NC(=O)c4cccc(F)c4[N+](=O)[O-])cc3)CCC2)co1 1790698030 JVECITYWDZGFAP-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD CC(=O)C[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2)CCC1 1790699494 RTAAXFHQXATLTB-AWEZNQCLSA-N 441.459 4.097 5 20 IIBD CC(C)(C)c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc([N+](=O)[O-])o2)s1 1792398117 JAQKCCDJLBJNCL-BTTYYORXSA-N 431.514 4.112 5 20 IIBD CC(C)c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(F)c2[N+](=O)[O-])cc1 1800532038 GTJVBGCKJCSDGW-REPLKXPHSA-N 439.487 4.423 5 20 IIBD Cc1cc(Cl)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C3)c1 1803632467 KVXWUOPKTDORBH-ACDBMABISA-N 441.915 4.051 5 20 IIBD C[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 1804344971 PZWAWLPJPNJCIT-YRRCWQSASA-N 447.535 4.440 5 20 IIBD CC(C)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CSc2ccccc2[N+](=O)[O-])CC1 1826344738 SCNLKCZIGKWIQK-IBGZPJMESA-N 447.601 4.353 5 20 IIBD C/C=C(/C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CSc2ccccc2[N+](=O)[O-])CC1 1831777076 BTAWPCNZQWQHHK-NZZRGJJISA-N 445.585 4.273 5 20 IIBD Cc1cc(F)ccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 1832723103 IRLGZUOGYGXEQQ-IBGZPJMESA-N 443.475 4.182 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccc(Br)cc1 1984898 PXMFLASDWGCOOY-SECBINFHSA-N 427.638 4.195 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cc2c(s1)-c1ccccc1OC2 9815525 LGXMMOYJWGUNMH-UHFFFAOYSA-N 425.418 4.439 5 20 IIBD C[C@@H](OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC(c1ccccc1)c1ccccc1 10759562 JWJNUURDDCEEHT-UWXVCKHVSA-N 430.460 4.446 5 20 IIBD O=C(CSc1ccccc1Br)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 11578046 YEJUWWKAXVBKHI-UHFFFAOYSA-N 439.287 4.249 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c([N+](=O)[O-])c1 23390261 AXGGORWRJZLFBC-UHFFFAOYSA-N 444.309 4.442 5 20 IIBD C[C@@H](Sc1nnc(-c2ccncc2)n1-c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 28606421 VVXDBJWQELNTKO-OAHLLOKOSA-N 446.492 4.357 5 20 IIBD O=C(COc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1F)Nc1ccccc1F 58099525 UXLJLLKTDUKIDO-UHFFFAOYSA-N 427.363 4.143 5 20 IIBD CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCc1nc(-c2ccccc2)oc1C 60429519 AXKLUGDIVNHTAV-UHFFFAOYSA-N 448.435 4.500 5 20 IIBD COc1cc([C@@H](C)NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OC1CCCC1 62154304 PBDLEPMDDNTXOZ-OAHLLOKOSA-N 441.484 4.049 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)N(C)c2ccccc2)cc([N+](=O)[O-])c1C 63446247 YCFVHFLFYAMGIB-UHFFFAOYSA-N 439.493 4.289 5 20 IIBD Cc1ccc(F)c(NC(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 69474692 XIGBULOUKXDMCW-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD C[C@H](OC(=O)Cc1cccc2cccnc12)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 105569714 LVKAXZYKVTYQMR-LBPRGKRZSA-N 447.369 4.275 5 20 IIBD Cc1ccc(NC(=O)c2nnc(CN(C)Cc3cc([N+](=O)[O-])ccc3Cl)s2)cc1 218486726 OIAWJBCQKDCFMU-UHFFFAOYSA-N 431.905 4.292 5 20 IIBD Cc1ccc([N+](=O)[O-])c(Oc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)c1 301083825 VHTXRUUDZFCASK-UHFFFAOYSA-N 426.738 4.309 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2cc3ccccc3s2)cc1OC 410300040 GDIDTDJGVBHBJE-ZDUSSCGKSA-N 430.482 4.334 5 20 IIBD Cc1sc2ncnc(SCC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)c2c1C 427591726 AHMIMGUAIREOES-UHFFFAOYSA-N 428.539 4.500 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCc1ccc(CN2CCCCCC2)cc1 428023749 RBWSGUGBCZXUJV-UHFFFAOYSA-N 448.523 4.214 5 20 IIBD CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cc2ccccc2c2cccnc12 428691730 OAGXBVIHNVXROD-MHZLTWQESA-N 425.532 4.097 5 20 IIBD COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CNC(C)(C)c1ccccc1[N+](=O)[O-] 429256301 JYMIGHOLYHBGBU-UHFFFAOYSA-N 440.283 4.152 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1ccc(OC(C)C)cc1 429564639 FPIFLQYSRFKCHY-UHFFFAOYSA-N 432.498 4.314 5 20 IIBD C[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1noc(Cc2ccccc2)n1 431409119 ZYBSZDNEMGORJT-LLVKDONJSA-N 433.371 4.053 5 20 IIBD O=C(Nc1ccc(CCC(=O)N2CCCC2)cc1)c1cc(Br)cc([N+](=O)[O-])c1 431476451 ZABPXSDRJPNCKB-UHFFFAOYSA-N 446.301 4.165 5 20 IIBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cncc(-c2ccc3c(c2)CCO3)c1 432203144 SLUIFDWUNTXBHU-UHFFFAOYSA-N 433.420 4.005 5 20 IIBD O=C(Cn1cc(Br)cc([N+](=O)[O-])c1=O)c1ccc(Oc2ccccc2)cc1 432349738 ARKRTXKZEWUTCM-UHFFFAOYSA-N 429.226 4.194 5 20 IIBD CCOC(=O)c1cnc(/C(C)=C\c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)nc1O 432697650 SFCKJFOELWGHKW-XFXZXTDPSA-N 425.397 4.096 5 20 IIBD COC(=O)C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)c(F)c1 433579590 YYWNTYAPZOVSPZ-AWEZNQCLSA-N 448.756 4.440 5 20 IIBD CN(C(=O)c1cccc(N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1)c1ccccc1 433712452 GUNSFDGLKHDBJU-QFIPXVFZSA-N 430.464 4.089 5 20 IIBD COc1cc(Cl)c(S(=O)(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cc1Cl 434961398 FVVQMHWVPGBXGU-UHFFFAOYSA-N 443.268 4.101 5 20 IIBD CC(C)[C@H](C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1cccnc1 435391045 RGBQBQNSKYAOFC-IBGZPJMESA-N 436.434 4.097 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C[C@H](NC(=O)c2ccc(O)cc2)c2ccccc2)cc1[N+](=O)[O-] 436559298 UNHOVGOTTFHPER-VGSWGCGISA-N 447.491 4.347 5 20 IIBD CC[C@@H]1Oc2cc([C@H](C)NC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)ccc2NC1=O 437989486 CXAVXSOCBYXDBU-XOBRGWDASA-N 438.484 4.140 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)Nc2ccc(COC(C)C)cc2)cc1[N+](=O)[O-] 438808458 GCESQRCQBSLKMP-UHFFFAOYSA-N 443.319 4.392 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 438962795 UPCIFUJWBIDJIT-UHFFFAOYSA-N 448.317 4.500 5 20 IIBD Cc1csc(Oc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])c(O)cc3C)cc2F)n1 439255129 WLTYWMUAXAPEIS-UHFFFAOYSA-N 439.446 4.106 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@H](CN3CCCCC3)C2)c([N+](=O)[O-])c1 444218327 XSZKZDOLPCLGAC-HYBUGGRVSA-N 436.556 4.391 5 20 IIBD O=C(NCc1ccc(Br)s1)c1sc(Br)cc1[N+](=O)[O-] 444852991 DQKXQSUAQQPIML-UHFFFAOYSA-N 426.111 4.173 5 20 IIBD COCCN(C(=O)Cc1c(F)cccc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 445667415 ZSWGOHFXFLVBJX-UHFFFAOYSA-N 433.436 4.219 5 20 IIBD CC(C)N(C)Cc1ccccc1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br 445831868 IMCPLPJITUUGRC-UHFFFAOYSA-N 434.334 4.056 5 20 IIBD COc1ccc(S(=O)(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c(Cl)c1Cl 446920017 XEYZXLIVNNHEQO-UHFFFAOYSA-N 431.297 4.264 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N(C2CC2)[C@H]2CCc3ccccc32)c(C(F)(F)F)c1 447037998 CUXDXVRAIYHCDF-KRWDZBQOSA-N 426.416 4.454 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CC[C@@H](Oc4ccncc4)C3)cc2[N+](=O)[O-])n1 447668615 HEEIXEJOOYEVDL-MRXNPFEDSA-N 442.522 4.199 5 20 IIBD C[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C[C@@]2(CCO[C@@H]2C)O1 447978203 PRVJTYGFSHINHH-XCGNWRKASA-N 427.457 4.187 5 20 IIBD CCOCCCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCc2cc(F)cc(C)c2C1 460682545 ALIGYEAJABSWQY-UHFFFAOYSA-N 439.491 4.290 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(Oc2cccc(Cl)c2Cl)nn1 460777443 GVECQNQZBPEYFM-UHFFFAOYSA-N 448.266 4.326 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCCC3(CCOCC3)C2)cc1 461011748 IGWGWNJWPXVAPG-UHFFFAOYSA-N 426.469 4.429 5 20 IIBD O=C(c1cc(C(=O)N2CCC[C@@H]3CCC[C@H]32)cc([N+](=O)[O-])c1)N1CCC[C@@H]2CCC[C@@H]21 461013299 FXQQSFREDFOZRQ-KLDKWKSESA-N 425.529 4.404 5 20 IIBD CCN1CC[C@H](N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2Cc2cccs2)[C@H](C)C1 461483306 DNPASKFIESIVJR-UZLBHIALSA-N 440.573 4.130 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnn1Cc1cnn(-c2ccccc2)c1 462644454 TYAINWOAWSQOQH-HXUWFJFHSA-N 444.495 4.233 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 462903692 QQHLLRMDWJUADV-LAUBAEHRSA-N 440.500 4.103 5 20 IIBD Cc1nc(-c2ccccc2)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)s1 464416845 FJAKMCQOQQVEBX-UHFFFAOYSA-N 426.479 4.376 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1nc(-c2ccc3c(c2)CCC3)cs1 465118043 DKANXLLXSPYVEU-UHFFFAOYSA-N 437.477 4.159 5 20 IIBD COc1ccc(CNC(=O)c2ccc(Sc3ccccc3Cl)nn2)cc1[N+](=O)[O-] 468102958 IRTYBFBLROGNPJ-UHFFFAOYSA-N 430.873 4.128 5 20 IIBD C[C@@H](O)C[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 468664493 ABEKIJOSSKPZRZ-CJNGLKHVSA-N 436.917 4.011 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1nc(-c2cc3ccccc3o2)cs1 468741227 YLUOWNCHFYHICE-UHFFFAOYSA-N 429.479 4.480 5 20 IIBD Cn1c([C@H]2CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2Br)nc2ccccc21 469150798 SMTOPPGYWGGDNS-GOSISDBHSA-N 443.301 4.150 5 20 IIBD CCCn1c(C(=O)N2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)cc2ccccc21 469553658 GABMABNXGDEBIQ-UHFFFAOYSA-N 446.511 4.188 5 20 IIBD O=C(Nc1ccc(-c2ccco2)cc1F)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 470538470 QDTGLAFQTCQDKY-HNNXBMFYSA-N 429.429 4.299 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] 471528363 SWPIZEYACGQANH-YOEHRIQHSA-N 441.488 4.080 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NC[C@@H]1CC[C@@H](O)C1 476546757 MGOBNAQFTIUCFS-MQNVWRPRSA-N 437.521 4.412 5 20 IIBD CCOC(=O)c1cccc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1 477031147 OJEDKNGNWRGHIH-UHFFFAOYSA-N 439.287 4.265 5 20 IIBD Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 478373780 RRFHADXFEAKPNG-JLTOFOAXSA-N 434.500 4.480 5 20 IIBD O=C(Nc1ccc2c(c1)S(=O)(=O)CC2)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 478393142 PRFSEQUBERDFRI-UHFFFAOYSA-N 440.502 4.328 5 20 IIBD CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C(N)=O)c1cccc(Br)c1 479483055 VVGZGZCDDFFGCZ-PBHICJAKSA-N 438.347 4.044 5 20 IIBD CC(C)n1ccc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n1 482773698 RJRQGGOBFUGBRB-UHFFFAOYSA-N 430.468 4.406 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cn2cc(Br)ccc2n1 484262646 BFRBAVGOXIZVOR-UHFFFAOYSA-N 435.303 4.047 5 20 IIBD O=C(Nc1nc(-c2c(F)cccc2F)cs1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 484448990 YGGWYZNBGPOYIK-UHFFFAOYSA-N 427.392 4.435 5 20 IIBD CCc1nc(CN2CCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)CC2)cs1 485402201 HJVVAFHQHGOGCU-UHFFFAOYSA-N 427.505 4.137 5 20 IIBD O=C(Cc1ccc(F)cc1Br)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 486708094 IYFAEMBCATZOAQ-UHFFFAOYSA-N 435.171 4.374 5 20 IIBD CSc1cccc(C(=O)Nc2cccc(NC(=O)NCc3ccncc3)c2)c1[N+](=O)[O-] 487159170 MXFYBTJQKVOQKH-UHFFFAOYSA-N 437.481 4.286 5 20 IIBD COc1c(F)cc(S(=O)(=O)Nc2ccc(C)c(Oc3cc(C)ccn3)c2)cc1[N+](=O)[O-] 488275543 XKAAKCWEYZGQQB-UHFFFAOYSA-N 447.444 4.347 5 20 IIBD COc1ccccc1CN(C[C@H]1CCCO1)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 493109018 YNZXCAFGGQRRIN-YLJYHZDGSA-N 427.501 4.364 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 498838139 OICCSVFXSICQJW-GFCCVEGCSA-N 439.438 4.406 5 20 IIBD Cc1cc(N2CCCCCC2)ccc1NC(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl 499513101 UIUDNECOMUYRRC-UHFFFAOYSA-N 444.919 4.192 5 20 IIBD C[C@H]1Cc2ccc(Br)cc2CN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 500196497 ZFDYERKHXZFLLN-LBPRGKRZSA-N 428.286 4.355 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ncc(Cc3ccccc3F)s2)cc([N+](=O)[O-])c1 500257962 HVQNQNOHCRHRLQ-UHFFFAOYSA-N 429.429 4.210 5 20 IIBD Cc1nn(CC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1[N+](=O)[O-] 501262017 JAFJICKSLHUHHN-UHFFFAOYSA-N 447.373 4.010 5 20 IIBD O=C(CNc1cccc(OCc2ccc(F)cc2)c1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 502142320 MREAGDYREJUCGH-UHFFFAOYSA-N 439.399 4.092 5 20 IIBD CS(=O)(=O)[C@H]1CCCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 503098947 JOAXLXNDFXFLCF-INIZCTEOSA-N 438.933 4.440 5 20 IIBD O=C(N[C@H]1CCN(c2ccccn2)C1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 511183053 BWXGNRMWBOSPMO-KRWDZBQOSA-N 438.871 4.444 5 20 IIBD O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccccc1I 513813072 WZVSDNSDSADJCA-UHFFFAOYSA-N 428.251 4.071 5 20 IIBD Cc1ccc([C@@H]2CCCN2c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])s1 514081038 AIHKKJWBRWZFIH-SFHVURJKSA-N 435.571 4.481 5 20 IIBD CCCCOc1ccc([C@H](C)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1OC 517909585 FLNCNQAELQLYEF-ZDUSSCGKSA-N 442.921 4.475 5 20 IIBD Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 518822392 BEYHTBGSAZNUEY-MRXNPFEDSA-N 427.507 4.272 5 20 IIBD C[C@H]1CSc2ccc(Br)cc2[C@@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 519148832 ZACCKHPNVCEWJP-MGPLVRAMSA-N 443.344 4.119 5 20 IIBD COc1ccc2cc(CN(C)c3ccc(C(=O)c4nccn4C)cc3[N+](=O)[O-])ccc2c1 520065477 DJONDDBAELEKIZ-UHFFFAOYSA-N 430.464 4.358 5 20 IIBD CC(C)(CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1c(Cl)cccc1Cl 520538689 LAVDMIZGIDRYCE-UHFFFAOYSA-N 438.311 4.116 5 20 IIBD COc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)cc1[N+](=O)[O-] 520966613 YPIIYXKZMAKKRH-UHFFFAOYSA-N 426.816 4.156 5 20 IIBD Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 521000754 CUONRHHWBYXCGX-UHFFFAOYSA-N 443.456 4.165 5 20 IIBD O=C(NCc1ccc(OCc2cccc(F)c2)cc1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 521181011 SCSIOOMYYNXYOE-UHFFFAOYSA-N 447.422 4.497 5 20 IIBD O=C(CSc1cccs1)Nc1ccc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1 522666238 WFHPLLOEPPXZSI-UHFFFAOYSA-N 441.534 4.360 5 20 IIBD CCC[C@@H](C)N(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1nc(C)c(C(=O)OCC)s1 522959636 GBSVDRSOJZKIPG-GFCCVEGCSA-N 435.502 4.380 5 20 IIBD Cc1ccccc1[C@H](C)CC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 523812344 RQEUIYPZTFEQFR-CQSZACIVSA-N 445.522 4.325 5 20 IIBD C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 527011236 APLKWEYAKYRDJA-VIFPVBQESA-N 428.253 4.487 5 20 IIBD COc1ccc(CC(=O)Nc2ccc(Cl)cc2I)cc1[N+](=O)[O-] 531614405 UTXHYHMQEJKOKF-UHFFFAOYSA-N 446.628 4.043 5 20 IIBD COc1ccc(CN(CC(=O)Nc2ccc(Cl)cc2)Cc2cccnc2)cc1[N+](=O)[O-] 533392970 YBWIPVBASQBZDI-UHFFFAOYSA-N 440.887 4.293 5 20 IIBD Cn1c(C2CC2)nc2cc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Br)ccc21 534809512 FTAKLWYZCNKVNR-UHFFFAOYSA-N 429.274 4.303 5 20 IIBD COc1ccc(C2=NN(C(=O)COc3ccc(C)c([N+](=O)[O-])c3)[C@@H](c3ccco3)C2)cc1 535125268 QFSIQZQBNKELKA-OAQYLSRUSA-N 435.436 4.262 5 20 IIBD CCOc1cc(NC(=O)N[C@@H](COC)c2ccc(F)c(F)c2)c([N+](=O)[O-])cc1OCC 536980748 XRQKLHBADSPMLA-INIZCTEOSA-N 439.415 4.180 5 20 IIBD COCCc1noc(CN(C)Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)n1 539820387 DNSSMXIYKXHELE-UHFFFAOYSA-N 432.864 4.244 5 20 IIBD COc1ccc(NC(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)cc1[N+](=O)[O-] 542923820 JWSZVDSEICUNIR-UHFFFAOYSA-N 445.273 4.421 5 20 IIBD COc1cc(Br)ccc1-c1noc(-c2ccn(-c3ccccc3[N+](=O)[O-])n2)n1 545776983 UFGFMJMFSDAEEI-UHFFFAOYSA-N 442.229 4.269 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(NC(=O)N(CC)CC)cc2)c1 548965224 CNDHPTYYSMSXBX-OAHLLOKOSA-N 428.489 4.358 5 20 IIBD O=[N+]([O-])c1ccc(C(F)(F)F)c(CN(CCO)Cc2ccc(Br)s2)c1 549610620 PXKMTSKLWLWLII-UHFFFAOYSA-N 439.253 4.432 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)c1nc(-c2ccccc2)no1 550698790 DGDLHCGDEWRQQG-LLVKDONJSA-N 445.273 4.249 5 20 IIBD Cn1ccnc1[C@@H](NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])cc1 552038082 LTGBJVBJGFPPCR-QFIPXVFZSA-N 439.947 4.325 5 20 IIBD Cc1ccoc1CN(C)CC(=O)Nc1cc(N(C)Cc2occc2C)ccc1[N+](=O)[O-] 555666155 XZCONWOTRSLBJX-UHFFFAOYSA-N 426.473 4.105 5 20 IIBD CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)c4ccc(NCc5ccccc5Cl)c([N+](=O)[O-])c4)[C@@H]1[C@H]3C2 557534492 XYVWTEVSHYFKBV-QQMARJFVSA-N 441.915 4.356 5 20 IIBD COc1ccc(CN2CC[C@@H](C3CCN(C)CC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 561975309 CLMIQIFHSQHVBZ-JOCHJYFZSA-N 439.556 4.346 5 20 IIBD C[C@H]1CN(CCN(C)C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@@H](C)O1 565402740 ZDEDVDRRGGMKHN-IYBDPMFKSA-N 447.919 4.222 5 20 IIBD CC[C@@H](C)Sc1ccc(NC(=O)C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c(C)c1 566401216 MUSUAVWCILEJKI-MRXNPFEDSA-N 429.542 4.433 5 20 IIBD COc1cc(-c2nc(-c3cccc(C(=O)NCc4ccco4)c3)no2)cc([N+](=O)[O-])c1C 574604570 VHWRTAWXWAWRDY-UHFFFAOYSA-N 434.408 4.152 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N3C[C@H](C)S[C@H](C)C3)c([N+](=O)[O-])c2)c(C)c1 576798798 BJQMLHVKLHYGGU-IYBDPMFKSA-N 435.571 4.343 5 20 IIBD CC1(c2ccccc2)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCOC2)CC1 577871514 YSIYCPCUZPGZTJ-IBGZPJMESA-N 447.539 4.448 5 20 IIBD C[C@H](CN[C@@H](c1cccc([N+](=O)[O-])c1)c1nccn1C)Oc1cccc(Br)c1 581959615 JBRLXMVQKWRZCY-KUHUBIRLSA-N 445.317 4.237 5 20 IIBD Cc1nc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)sc1Cc1ccc(F)cc1F 584462766 DXQIKRILZBXDNT-UHFFFAOYSA-N 433.392 4.210 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1 586866584 FYOKSGHFRFGSDS-CQSZACIVSA-N 449.429 4.171 5 20 IIBD COc1cc(CN[C@@H]2CC[C@@](O)(C(F)(F)F)C2)c([N+](=O)[O-])cc1OCc1ccccc1 589938515 UTFSIQPCGZOALI-UZLBHIALSA-N 440.418 4.118 5 20 IIBD O=C(c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2)N1CCOCC1 590780966 YEFSUWWQGDDGEG-VLGSPTGOSA-N 429.476 4.492 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 603569137 VDJVDQBZCGQSKB-SFHVURJKSA-N 436.295 4.165 5 20 IIBD Cc1ccc(-c2csc3ncnc(N4CCN(c5ccc([N+](=O)[O-])nc5)CC4)c23)cc1 603580285 UBLNPOFOOFIHBT-UHFFFAOYSA-N 432.509 4.297 5 20 IIBD CCNC(=O)COc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c1 603738853 DFSXNSVYBNANDT-UHFFFAOYSA-N 435.436 4.154 5 20 IIBD Cc1ccc(NC(=O)CSc2nnc(NC(=O)c3csc([N+](=O)[O-])c3)s2)c(C)c1 603860668 QNSTUSXVJKURBR-UHFFFAOYSA-N 449.539 4.108 5 20 IIBD Cc1ccc(Cc2sc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)nc2C)cc1 603974337 ONQAIDMHCDGEJY-UHFFFAOYSA-N 438.509 4.018 5 20 IIBD COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 603999187 NRWIVPSVOVQMKI-UHFFFAOYSA-N 428.448 4.386 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(Sc3nncs3)cc2)cc([N+](=O)[O-])c1 604118776 JMZLRSWVHQKUAG-UHFFFAOYSA-N 430.467 4.027 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NC[C@@H]3CCN(CC(F)(F)F)C3)c([N+](=O)[O-])c2)cc1 608972817 OVIXYIOPJUDZIQ-HNNXBMFYSA-N 436.434 4.452 5 20 IIBD O=C(Nc1nnc(-c2cccc(Cl)c2)s1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 609022132 XLEYYMDVSOEQKY-UHFFFAOYSA-N 426.845 4.205 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)c1nc(C2CC2)no1 609022199 HVAUHORVIKAOBG-QEEYODRMSA-N 441.532 4.465 5 20 IIBD O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 609151353 HJOCQICLMXDSIN-UHFFFAOYSA-N 439.378 4.285 5 20 IIBD CCN(C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H](c1cccnc1)c1ccc(F)c(F)c1 609577326 XFXLITRSXPAHBL-HSZRJFAPSA-N 441.434 4.457 5 20 IIBD CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609771437 FASVNMDMJXYABW-IBGZPJMESA-N 428.489 4.448 5 20 IIBD COC[C@@H](NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 609817322 UOVLXJCNTBNTPY-CQSZACIVSA-N 444.431 4.462 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)c(Br)cc1F 610182769 PYVBACKBLSIFAU-UHFFFAOYSA-N 443.250 4.257 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(OCc2c(C)nn(Cc3ccc(Cl)cc3)c2C)c1 610207828 LDQJPARQXALJLL-UHFFFAOYSA-N 429.860 4.475 5 20 IIBD CN(C)c1nc(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cs1 610467992 PUPOTNZVLKTWBA-UHFFFAOYSA-N 432.889 4.493 5 20 IIBD CNC(=O)Cc1ccc(NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 610909694 MRJJKXWMYBOAKO-UHFFFAOYSA-N 441.491 4.348 5 20 IIBD CCc1nsc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SC3CCCC3)CC2)n1 611206529 PPRNXFIQZWPDNM-UHFFFAOYSA-N 447.586 4.006 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC([C@H]3CCOC3)CC2)cc1 612345562 ADUCXLPSWLPHCA-KRWDZBQOSA-N 426.469 4.284 5 20 IIBD CN1Cc2cc(-c3csc(NC(=O)c4ccc([N+](=O)[O-])cc4F)n3)ccc2NC1=O 619464447 MWRHXOYQGFCSFL-UHFFFAOYSA-N 427.417 4.087 5 20 IIBD CC(C)(C)c1nc(CC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cs1 726833424 HTPVHRVDZNQNRP-UHFFFAOYSA-N 445.419 4.092 5 20 IIBD Cc1oc(-c2ccsc2)nc1CC(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 727023533 QVWFYWKFQXDMTM-LLVKDONJSA-N 449.872 4.386 5 20 IIBD COc1cc(C(=O)NC(C)(C)c2ccc(F)cc2)c([N+](=O)[O-])cc1OCc1cscn1 728500216 IKOBIAMFPXJCPM-UHFFFAOYSA-N 445.472 4.443 5 20 IIBD Cc1sc(-c2ccco2)nc1C(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 729194765 YVCKYZFBCJOGQF-UHFFFAOYSA-N 428.470 4.088 5 20 IIBD Cc1nc(CCC(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)oc1-c1ccccc1 730336631 XUNXJKJDMDEQSM-UHFFFAOYSA-N 434.408 4.284 5 20 IIBD O=C(Oc1ccc(C(=O)N2CCc3sccc3C2)cc1)c1cc(F)cc([N+](=O)[O-])c1 731461817 FUWPRLWXDBGGHE-UHFFFAOYSA-N 426.425 4.213 5 20 IIBD O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1csc(-c2ccc(Cl)s2)n1 731515178 PHIDUJLTFLTJSF-ZDUSSCGKSA-N 449.897 4.396 5 20 IIBD O=C(Cc1cc(Cl)c2c(c1)OCCO2)OCc1ccc([N+](=O)[O-])cc1Br 739579861 MTLSIVFFJSZBPW-UHFFFAOYSA-N 442.649 4.068 5 20 IIBD CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1I)c1cc(F)ccc1F 740799124 KGZRIAFPMIIBIP-OAHLLOKOSA-N 446.191 4.359 5 20 IIBD Cc1ccc([C@H]2CCCCN2C(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cc1 741592229 HYDIEKUPAAICRU-FXAWDEMLSA-N 425.460 4.149 5 20 IIBD COc1cc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])ccc1OC(C)C 742276215 ZJLICVBVOYSNFH-UHFFFAOYSA-N 449.312 4.176 5 20 IIBD CCOc1ccccc1NC(=O)[C@@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 745334651 VUZMLPSPXMYOET-QHCPKHFHSA-N 434.448 4.459 5 20 IIBD COc1ccc2sc(C(=O)O[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)c(C)c2c1 745341595 QRMLEDCOPNTMPS-GFCCVEGCSA-N 444.465 4.319 5 20 IIBD CC(C)n1c([C@H]2CCCN2C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])nc2ccccc21 748556801 WEDUDUOFZUIDFQ-LJQANCHMSA-N 436.468 4.080 5 20 IIBD O=C(Cc1csc(-c2ccc(F)c(F)c2)n1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 750163380 CAZPDKFORXSVNO-UHFFFAOYSA-N 448.403 4.149 5 20 IIBD CCOc1cc(C(=O)OCc2coc(-c3c(F)cccc3F)n2)c([N+](=O)[O-])cc1OC 751623587 OHKLXXCMGMIDAO-UHFFFAOYSA-N 434.351 4.292 5 20 IIBD COc1ccc2nc(C3CC3)cc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])c2c1 751821915 OGEZGIXRHDQTBW-ZDUSSCGKSA-N 435.436 4.213 5 20 IIBD Cc1cc(F)cc(C(=O)OCC(=O)Nc2ccc(Br)cc2Cl)c1[N+](=O)[O-] 752558804 PUFFBIWNMDUWPF-UHFFFAOYSA-N 445.628 4.254 5 20 IIBD Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1C 753430743 GFULQBUVUBTENL-CYBMUJFWSA-N 435.274 4.467 5 20 IIBD CC(C)n1c(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)nc2ccccc21 754636356 ONVYUCULGDAGIZ-UHFFFAOYSA-N 449.280 4.400 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])n1ccc(=NCC(F)(F)F)cc1 755367594 MDYZMSPYGFZKEL-UHFFFAOYSA-N 439.337 4.311 5 20 IIBD CNc1nc(C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cs1 756211499 RMCPOKIJWAGQKP-INIZCTEOSA-N 446.872 4.283 5 20 IIBD C[C@H](Nc1ccc(C(=O)O[C@H]([C@H]2CCCO2)C(F)(F)F)cc1[N+](=O)[O-])c1ccccn1 757572624 WSMOECPWAMRMCO-JBBXEZCESA-N 439.390 4.430 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])cn1)O[C@@H](c1cccc(F)c1)c1cccc(Br)c1 758075669 KUUBEXWTDXELPI-GOSISDBHSA-N 434.221 4.026 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC(OCc2ccccc2F)CC1 758936445 YDEDOEDYMOVPAI-UHFFFAOYSA-N 437.265 4.318 5 20 IIBD CN(C)c1nc2sc(C(=O)OCc3coc(-c4ccc([N+](=O)[O-])cc4)n3)cc2s1 760500066 JDFGGEAYYSYDHI-UHFFFAOYSA-N 430.467 4.344 5 20 IIBD C[C@H](C(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1 761447769 JQVLUXXRLXIQRJ-HNNXBMFYSA-N 447.447 4.361 5 20 IIBD O=C(NC[C@@H](O)c1cccc(OCc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1Cl 761598824 IWCFDHPWMIUEME-OAQYLSRUSA-N 426.856 4.291 5 20 IIBD CC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1 761966149 RKVJCUPAYRGHMQ-UHFFFAOYSA-N 433.667 4.014 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)C[C@H]21 762474401 KBDKKHDSELALRE-ZSZQSSIHSA-N 449.523 4.163 5 20 IIBD O=C(O[C@H]1CCO[C@@H](C2CCOCC2)C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 763117155 DOVHRHYHDWCIJB-NZQKXSOJSA-N 440.496 4.338 5 20 IIBD CCCn1c(C)nnc1COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1 763651830 WNPYOOIESIMPNP-UHFFFAOYSA-N 426.429 4.063 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Oc1cccc(NC(=O)c2ccco2)c1 764243612 QASXLMCABRPYAJ-UHFFFAOYSA-N 442.449 4.398 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2cc(Br)ccc2N2CCCC2)cc1[N+](=O)[O-] 764317974 MGCDWZWBPJOFMP-UHFFFAOYSA-N 449.261 4.426 5 20 IIBD C[C@@H](OC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1)c1ccccc1[N+](=O)[O-] 764595591 FZMFGBHPCSUPLM-KWPCUBQOSA-N 431.408 4.144 5 20 IIBD Cc1cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c(C)n1CC(F)(F)F 766225284 LHBZAKKTUZLJEW-UHFFFAOYSA-N 435.358 4.163 5 20 IIBD COc1ccc(-c2n[nH]cc2C(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])cc1 766887403 CZMSZFAPULDLNB-QFIPXVFZSA-N 430.420 4.335 5 20 IIBD Cc1cc(=O)c(C(=O)O[C@H](c2ccc(F)c(F)c2)C(C)C)nn1-c1ccccc1[N+](=O)[O-] 769285850 KUOXJYNIKPKZCA-NRFANRHFSA-N 443.406 4.281 5 20 IIBD CC(C)(C)c1nnc2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3Br)cn12 769299209 GYOHIBSWUHUJTL-UHFFFAOYSA-N 433.262 4.055 5 20 IIBD CN(C)[C@H](CNC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cccc(C(F)(F)F)c1 769413575 JNXHPZOKNWRGST-OAQYLSRUSA-N 436.478 4.475 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN(Cn2nc(C)c4cc([N+](=O)[O-])cnc42)C3)cs1 771619947 BZMBUBXGHOWWOR-UHFFFAOYSA-N 426.527 4.157 5 20 IIBD O=C(Cc1csc(-c2ccccn2)n1)OCc1ccc(Br)c([N+](=O)[O-])c1 773355953 FPAXTQXYZQFCCA-UHFFFAOYSA-N 434.271 4.162 5 20 IIBD Cn1cc(-c2ccc(F)c(C(=O)OCc3ccc(Br)c([N+](=O)[O-])c3)c2)cn1 773462723 REJRZVLXRYUOMF-UHFFFAOYSA-N 434.221 4.254 5 20 IIBD C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 775495641 OGHPHEBOFBEFIG-CYBMUJFWSA-N 434.518 4.184 5 20 IIBD CCCn1c(SC[C@H](O)c2ccc([N+](=O)[O-])cc2)nc2sc3c(c2c1=O)CCC3 776271563 MAAPGJWXZLPORR-HNNXBMFYSA-N 431.539 4.091 5 20 IIBD CC[C@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1cc(F)cc(Br)c1 777012054 KSKAEQNNZZBRLT-INIZCTEOSA-N 435.253 4.114 5 20 IIBD CN(C[C@@H]1CCCC[C@H]1O)C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 778501380 MFGRZYVLWNHBOP-VBKZILBWSA-N 445.903 4.124 5 20 IIBD Cc1cc(F)c2nc(O)cc(C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c2c1 778870249 SSJQZKHWBGXPOL-JTQLQIEISA-N 447.806 4.134 5 20 IIBD C[C@H](c1ccc(Cl)cc1)N(C)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 778893014 QEQZDHLPKNXRPX-LLVKDONJSA-N 442.802 4.226 5 20 IIBD COc1cc([C@@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C(F)(F)F)cc(OC)c1OC 779067576 YHCOWNDXKFGAAE-MBNRZODZSA-N 440.374 4.054 5 20 IIBD C[C@@H](OC(=O)c1cc(I)cc([N+](=O)[O-])c1)c1nc2ccccc2o1 781810726 CKJQPCMZKKMFAS-SECBINFHSA-N 438.177 4.259 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1nc(Cc2cccc(F)c2)no1 782653882 YRBNOGLBFZEJEW-UHFFFAOYSA-N 443.434 4.011 5 20 IIBD C[C@@H](OC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1nnc(-c2cccc(Cl)c2)o1 782852942 QYDYDGLHNOZPDY-GFCCVEGCSA-N 439.815 4.402 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])c(F)c1)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 783054523 ATSJBZXHBJQVER-NRFANRHFSA-N 436.395 4.033 5 20 IIBD C[C@@H](OC(=O)c1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1)c1cccc([N+](=O)[O-])c1 784853092 WRKDAERMKJPQBZ-BEFAXECRSA-N 444.488 4.281 5 20 IIBD C[C@@H](OC(=O)c1ccc(Cl)c(N)c1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 786634516 IYTWXSAYLQUNBA-SSDOTTSWSA-N 432.647 4.321 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC(Nc2cc(OC)cc(OC)c2)CC1 790272136 SOZQLQXWCPYURF-UHFFFAOYSA-N 449.891 4.133 5 20 IIBD CCc1c(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cnn1C(CC)CC 790419112 JXACRDJARGAVHC-UHFFFAOYSA-N 439.494 4.041 5 20 IIBD Cc1c(Cl)cccc1NC(=O)[C@@H](C)OC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790746416 SMUYXGYRRWHXDW-SNVBAGLBSA-N 429.231 4.462 5 20 IIBD COc1c(C(=O)Nc2ccc(NC(=O)CN3CCCCCCC3)cc2)cccc1[N+](=O)[O-] 793367332 ZDCDIDRVGGXLEP-UHFFFAOYSA-N 440.500 4.060 5 20 IIBD CC(C)(C(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 794022974 ARUKWMGJWZGLBA-LJQANCHMSA-N 439.512 4.037 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 799784148 PZQJTGCDEJPOHC-HZPDHXFCSA-N 437.562 4.229 5 20 IIBD C[C@H]1C[C@@H](C)O[C@@H]1C(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 800305298 JNYFDYXATREIRA-ATNYCFDYSA-N 432.860 4.285 5 20 IIBD CCC(=O)c1ccc(NCc2ccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)c([N+](=O)[O-])c1 804700658 GWIDLQUTZAYMSI-QHCPKHFHSA-N 436.468 4.025 5 20 IIBD COc1cc(C)c(NC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])c(C)c1C 805296463 ZTTQULRRJLXBQQ-UHFFFAOYSA-N 436.306 4.366 5 20 IIBD CN(C)C(=O)Sc1cc(NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)ccc1Cl 805437796 UHDLNRQJBWTWDV-UHFFFAOYSA-N 440.884 4.479 5 20 IIBD COCCOc1ccc(-c2noc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)n2)cc1F 809426046 DYGDXBRIHAAQAC-UHFFFAOYSA-N 428.420 4.076 5 20 IIBD COc1cc(Cc2noc([C@H]3C[C@@H](C)CCN3C(=O)OC(C)(C)C)n2)ccc1[N+](=O)[O-] 809434655 FJDFDENDPXOBSW-XJKSGUPXSA-N 432.477 4.285 5 20 IIBD COCCc1nc(COC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])no1 811184432 QBCXUVGZGVTTNA-UHFFFAOYSA-N 449.872 4.328 5 20 IIBD O=C(COC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])NCCc1ccc(Cl)cc1 811374325 FYIAIOHDNLGMQG-UHFFFAOYSA-N 431.659 4.071 5 20 IIBD CO[C@@](C)(COC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C1CC1 813184997 SNWKJSBDGCSXMW-IBGZPJMESA-N 430.423 4.188 5 20 IIBD O=[N+]([O-])c1cc(CSc2nnc3ccc(Br)cn23)ccc1Br 814787833 WNLYTGLVRGQUIM-UHFFFAOYSA-N 444.108 4.455 5 20 IIBD Cc1c(C(=O)Nc2ccnc(N3CCc4ccccc4C3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 816840225 GTEFPUVZUGQEOL-UHFFFAOYSA-N 433.424 4.021 5 20 IIBD C[C@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)c1cccs1 917256710 DGSPXUPYLYZQFY-AWEZNQCLSA-N 426.450 4.483 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)cc1Br 917859481 PPKXQCRLNUMKMV-UHFFFAOYSA-N 443.662 4.327 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCC[C@H]1c1nc2ccccc2s1 918296554 DVKCALJUKQQRNZ-AWEZNQCLSA-N 430.873 4.160 5 20 IIBD Cc1cc(C)n(-c2ccc(Cl)c(C(=O)OCCCOc3ccc([N+](=O)[O-])cc3)n2)n1 918788941 XREAXGOWLQCFNN-UHFFFAOYSA-N 430.848 4.072 5 20 IIBD CSc1ccc(C(=O)OCC(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-] 918816987 FFOXDTBGQZCZSR-CYBMUJFWSA-N 428.466 4.439 5 20 IIBD Cc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c2c1[C@H](C)CC2=O 1319359090 NVXAWMVNTJDAHU-SNVBAGLBSA-N 429.372 4.380 5 20 IIBD Cn1cccc1C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3F)CCC2)cc1 1787264251 AKOPWDPAYUVEHP-UHFFFAOYSA-N 436.443 4.134 5 20 IIBD Cc1ccc([C@H](C)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(F)c2[N+](=O)[O-])cc1 1800530296 IKJZJUAQKKOCIC-KANFNMMFSA-N 439.487 4.098 5 20 IIBD Cc1csc(C(=O)N2CCCC3(CCN(C(=O)Cc4cccc([N+](=O)[O-])c4)CC3)C2)c1 1806238833 CTRWIGXRLUOFIQ-UHFFFAOYSA-N 441.553 4.052 5 20 IIBD CCCCC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc([N+](=O)[O-])o2)n[nH]1 1814312462 OQZRQANTBLUKIT-GOEBONIOSA-N 431.493 4.433 5 20 IIBD CC[C@H](C)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])c(O)cc2C)[nH]n1 1815045587 SNISFABSBXRBHP-GUYCJALGSA-N 443.504 4.074 5 20 IIBD Cc1cc(Cl)ccc1C(=O)N1CCCC12CN(C(=O)c1c(F)ccc([N+](=O)[O-])c1C)C2 1841153644 CERCQTJQOIEJQP-UHFFFAOYSA-N 445.878 4.135 5 20 IIBD Cc1c(C(=O)N2CC3(CCCN3C(=O)CCc3cccs3)C2)cc(Cl)cc1[N+](=O)[O-] 1842108557 YVWTZSFUWGMEPY-UHFFFAOYSA-N 447.944 4.068 5 20 IIBD Cc1c(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)oc2ccc(Br)cc12 8879131 ZKMDUTWUPQZQAP-UHFFFAOYSA-N 433.214 4.207 5 20 IIBD CSc1ccc(C(=O)OCC(=O)N2CC[C@@H](C)Sc3ccccc32)cc1[N+](=O)[O-] 9620831 KHDAQDHISRGVEO-CYBMUJFWSA-N 432.523 4.391 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2cnn(C(C)C)c2n1 10205744 ZUTMPAUISJYISO-LBPRGKRZSA-N 445.863 4.066 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)cc([N+](=O)[O-])c1 10421327 SQJSYBUGIOUCRR-UHFFFAOYSA-N 449.467 4.009 5 20 IIBD O=[N+]([O-])c1ccc(NC(=S)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1 10759570 VIZVJXIWQBPZHC-UHFFFAOYSA-N 439.566 4.233 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1Cc1ccccc1)Nc1ccccc1N1CCCC1=O 11273776 GFDDMEJNAVCLIE-UHFFFAOYSA-N 445.475 4.330 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1cc(Cl)c(Cl)cc1Cl 19284478 HXAVPDYNLDLOGT-UHFFFAOYSA-N 433.631 4.359 5 20 IIBD Cc1nc(COc2ccccc2C(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cs1 19485711 SMTXUPPQZKQJFF-ZDUSSCGKSA-N 441.465 4.123 5 20 IIBD CSc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 23558503 VCAOXCZVCVWXHE-UHFFFAOYSA-N 425.432 4.298 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@H]3CCCc4c3cnn4C)cc2[N+](=O)[O-])n1 24987221 VKVYPFGNNLQBFA-AWEZNQCLSA-N 429.527 4.052 5 20 IIBD CCOc1ccc(C(=O)OCC(=O)N[C@H](c2ccccc2)c2cccs2)cc1[N+](=O)[O-] 27935543 HPTCMTSFKJKMCW-OAQYLSRUSA-N 440.477 4.118 5 20 IIBD COC(=O)c1cc(C(=O)NCc2ccccc2-c2ccc(CN(C)C)cc2)cc([N+](=O)[O-])c1 31077584 RWYOUYKPCMSOAY-UHFFFAOYSA-N 447.491 4.040 5 20 IIBD O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 31258336 ZTZZJNKKWXDWJL-UHFFFAOYSA-N 443.467 4.018 5 20 IIBD CCCCc1ccc([C@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C(C)C)cc1 61963595 BOXUDSJRQVMMEQ-OAQYLSRUSA-N 427.501 4.398 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NCc1ccccc1COCc1ccccc1 72074287 CQYGUVXFJLVOMY-UHFFFAOYSA-N 446.912 4.444 5 20 IIBD COc1ccc(Br)cc1NC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] 117592333 PQOBTKOSFNSOLY-UHFFFAOYSA-N 447.188 4.228 5 20 IIBD Cc1cnc(N[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 301465191 WURMBTDIIJDDBX-IBGZPJMESA-N 433.436 4.181 5 20 IIBD O=C(Nc1ccc(Br)cc1F)[C@@H](Nc1ncc([N+](=O)[O-])cn1)c1ccccc1 302150432 KAEQYIGZSKFGGN-INIZCTEOSA-N 446.236 4.078 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCN(CCC(C)(C)C)CC2)cc1[N+](=O)[O-])c1ccccn1 303004791 LMDHQHUTIOXQCW-SFHVURJKSA-N 439.560 4.357 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)NCc2ccccc2Sc2ccccc2)cc1[N+](=O)[O-] 410359332 LGGOJCCEYITDAV-UHFFFAOYSA-N 442.518 4.080 5 20 IIBD C[C@@H]1CN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@H](c2ccsc2)O1 426267446 NISFLPXRJKOZGZ-BDJLRTHQSA-N 429.420 4.347 5 20 IIBD COc1ccc(Br)c(CN(C)c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)c1 428680518 LLTZJTHYBXLABK-UHFFFAOYSA-N 448.317 4.238 5 20 IIBD COc1cc(C(=O)N[C@@H]2CCC[C@@H]2CCO)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 428823642 OGGICWLGUQALCF-CZUORRHYSA-N 434.876 4.330 5 20 IIBD C[C@@H]1C[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCN1Cc1ccccc1 431408153 UEOWZUOXEJEOCU-GDBMZVCRSA-N 434.443 4.371 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 431898006 ITOUVDPDSWBIHY-UHFFFAOYSA-N 445.229 4.201 5 20 IIBD CC1(C)C[C@@H](NCc2csc(CNC(=O)c3ccccc3)n2)c2cc([N+](=O)[O-])ccc21 433281851 DGTMKVDEPTYMSH-HXUWFJFHSA-N 436.537 4.494 5 20 IIBD O=C(c1ccc(N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)c([N+](=O)[O-])c1)N1CCOCC1 435586430 BARTVNNALCWFQC-SAABIXHNSA-N 449.429 4.444 5 20 IIBD CC1CCN([C@H](CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C(C)C)CC1 436114326 ZETCUCLYSFIKHK-JOCHJYFZSA-N 441.522 4.446 5 20 IIBD Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 436353415 RVGCGBNIHAXJSO-JOCHJYFZSA-N 443.528 4.144 5 20 IIBD Cc1nc(-c2ccc(NC(=O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc2)cs1 437074724 QQPRISHSMGYTCG-UHFFFAOYSA-N 436.493 4.156 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N2C[C@H](C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] 439229173 KFYMTHRGCATHES-APPDUMDISA-N 425.304 4.047 5 20 IIBD CN(C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[C@H]1CCCN(Cc2ccccc2)C1 444097455 BLZTZFMQXHFXCY-NRFANRHFSA-N 425.532 4.418 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1 444631797 MXFMLBLDEKFMDG-NRFANRHFSA-N 438.390 4.186 5 20 IIBD C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1Cc1nc2ccc([N+](=O)[O-])cc2[nH]1 444664353 NNWYUEPSJNWLSY-BLVKFPJESA-N 431.290 4.196 5 20 IIBD O=C(Cc1noc(-c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)n1)Nc1cccc2ccccc12 445352882 ZFFKYYZDDFVURL-UHFFFAOYSA-N 440.419 4.165 5 20 IIBD CCOc1ccc(C2(CN[C@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)CCOCC2)cc1 447537687 XSWDASOHYJSYHK-LEWJYISDSA-N 428.533 4.012 5 20 IIBD CN(C(=O)[C@H](Cc1ccccc1)NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccccc1 460476324 OJEWNPROGXQBPG-QFIPXVFZSA-N 449.532 4.077 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N(Cc1ccccc1)C[C@H]1CCCO1 462173835 FDPKHAWVBHWLJQ-OAHLLOKOSA-N 445.324 4.272 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1CN1C[C@H](C)O[C@H](C)C1 462430597 HVSOEDBOCRQNFM-WSTZPKSXSA-N 425.529 4.411 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 462760526 GXFGDSCIWACHIY-UYAOXDASSA-N 433.512 4.355 5 20 IIBD COc1cc(CSc2nnc([C@H](C)N(C)C)n2-c2ccc(F)cc2)c([N+](=O)[O-])cc1F 463411802 CVCBOFNUJMKHEW-LBPRGKRZSA-N 449.483 4.377 5 20 IIBD COc1ccc([C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])N2CCCC2)cc1 463471595 YKDYUXKZJTVZTP-LJQANCHMSA-N 437.418 4.189 5 20 IIBD C[C@@H](c1nc2ccccc2s1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 463689564 WOPFJBJQIHZMNI-LBPRGKRZSA-N 428.495 4.134 5 20 IIBD CC(C)(C)Cc1nc2cc(NC(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)ccc2o1 465127322 HJSWEYJGRUOXGF-UHFFFAOYSA-N 425.441 4.277 5 20 IIBD CCCn1ccc2ccc(NC(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)cc21 465159276 QNSVNAXECGKYSS-UHFFFAOYSA-N 436.497 4.492 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2C(F)(F)F)cc1[N+](=O)[O-] 467427877 FRUHEODJVGLCAK-UHFFFAOYSA-N 439.209 4.485 5 20 IIBD COc1cc(S(=O)(=O)N(Cc2cccnc2)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] 468884253 HYFUUUYHJHJGQL-UHFFFAOYSA-N 433.873 4.047 5 20 IIBD COc1cc(S(=O)(=O)N[C@@H](C)c2ccc(-c3csc(C)n3)cc2)ccc1[N+](=O)[O-] 468977590 OJLKVVZRUAZNIQ-LBPRGKRZSA-N 433.511 4.075 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 470150397 BMBVSQQASMNJQW-UHFFFAOYSA-N 441.246 4.031 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(NC(=O)C2CCCCC2)c1 470870946 HGLPQEMAUAJGSK-UHFFFAOYSA-N 425.485 4.442 5 20 IIBD O=C(Nc1nnc(-c2ccc(Cl)cc2F)s1)N1CCc2ccc([N+](=O)[O-])cc2C1 471319562 HFEGJEBCJZWNSH-UHFFFAOYSA-N 433.852 4.496 5 20 IIBD CCCc1[nH]nc(C(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)c1[N+](=O)[O-] 472973706 DTYWLUFBLTWFEK-UHFFFAOYSA-N 441.315 4.399 5 20 IIBD NC(=O)c1ccc(N[C@H](Cc2ccccn2)c2ccc(Br)cc2)c([N+](=O)[O-])c1 473718096 XZNKMHHGXUHLOK-GOSISDBHSA-N 441.285 4.247 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@H](C)c3ccccc3)cc2)cc1[N+](=O)[O-] 475316224 LSKZVPWPVVYZAH-MRXNPFEDSA-N 439.493 4.446 5 20 IIBD Cc1c(NC(=O)N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)cccc1[N+](=O)[O-] 479820872 WHLAKBXPOMGHPD-QGZVFWFLSA-N 438.253 4.410 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)C(=O)NCc1ccccc1 480780084 RITLYTJATFZRKQ-INIZCTEOSA-N 435.505 4.181 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 481379667 XLGGUBIJOCVKSU-GOSISDBHSA-N 442.497 4.178 5 20 IIBD COc1ccc(OCCN[C@H](c2ccccc2)c2nc3ccccc3n2C)c([N+](=O)[O-])c1 481416449 PKQUSGBVALLFNZ-HSZRJFAPSA-N 432.480 4.248 5 20 IIBD O=C(c1ccc(F)cc1F)N1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 485398097 GDLNAMYCATZMHM-UHFFFAOYSA-N 442.397 4.037 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 485741587 CVAVRIJSPNBDAF-QHCPKHFHSA-N 445.466 4.325 5 20 IIBD Cc1cc(NC(=O)Cc2ccc(F)cc2Br)n(-c2ccc([N+](=O)[O-])cc2)n1 485755236 ICMSKXBGSDUGAU-UHFFFAOYSA-N 433.237 4.172 5 20 IIBD CNC(=O)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)cc1 487509561 NRSMSZLPDTYJKD-UHFFFAOYSA-N 431.514 4.110 5 20 IIBD CCOc1cc(CS(=O)(=O)Cc2cc(F)c(C(F)(F)F)cc2F)ccc1[N+](=O)[O-] 488923075 HARJSAHAKRPUTM-UHFFFAOYSA-N 439.358 4.406 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN(C(=O)c2ccc(Br)cc2)CC1 489160337 FUVVINOMFQHQTF-OAHLLOKOSA-N 432.318 4.185 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 491060453 KTTHQYMGYKZATQ-HRQSHJORSA-N 427.888 4.110 5 20 IIBD O=C(c1cc2ccccc2n1CC(F)(F)F)N1CCN(c2ccccc2[N+](=O)[O-])CC1 492148383 AVADNQJWVUQGAV-UHFFFAOYSA-N 432.402 4.074 5 20 IIBD CCOc1cc(C(=O)N[C@@H](C)c2nc3ccccc3n2C(C)C)c([N+](=O)[O-])cc1OC 495495991 ACCMIMBHVLWXCI-AWEZNQCLSA-N 426.473 4.424 5 20 IIBD Cc1cn(-c2ccccc2Cl)nc1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 499844891 GPPNZZFKVGBXSL-UHFFFAOYSA-N 440.887 4.426 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(N[C@H](C)c2ccccc2)CCOCC1 500453869 DTKBMQIVKYUMJN-QZTJIDSGSA-N 443.569 4.092 5 20 IIBD Cc1c(CC(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)cccc1[N+](=O)[O-] 501762768 PGHAINAVGDQASK-UHFFFAOYSA-N 426.860 4.340 5 20 IIBD CCCN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H](C)C(=O)Nc1ccccc1 502702747 CPGQACCHJNYURN-GOSISDBHSA-N 438.528 4.077 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC(C)(c2nc3ccccc3s2)CC1 506620938 LVJOFCGABLUVLQ-UHFFFAOYSA-N 438.509 4.032 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCCC[C@H]1c1ncc(-c2ccccc2)[nH]1 507282717 PSBHDZJPRYXROA-IBGZPJMESA-N 448.479 4.052 5 20 IIBD COc1cc(NCc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c(F)cc1[N+](=O)[O-] 508237351 BQSAEOWGSJTQCN-UHFFFAOYSA-N 449.435 4.295 5 20 IIBD CC[C@H](C)Oc1cccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1 509036266 IMOATYYRTPPYFS-ZDUSSCGKSA-N 427.486 4.304 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1cc(F)c(F)cc1F 509517395 UGAXRNJRFRMZHE-UHFFFAOYSA-N 436.127 4.177 5 20 IIBD COCCOc1cccc(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 511020659 ZBMWNWXALKLVHW-LBPRGKRZSA-N 427.379 4.078 5 20 IIBD CO[C@H](C)c1nc(=NC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)s[nH]1 511106302 OLUBCHBCKGHJLK-GFCCVEGCSA-N 430.511 4.288 5 20 IIBD C[C@H](NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C1=CCN(C)CC1 511330652 ABCFXSQDUXBSSS-HNNXBMFYSA-N 428.920 4.241 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2n[nH]cc2-c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 511790153 XEHPLHXJNXQRGJ-UHFFFAOYSA-N 445.229 4.037 5 20 IIBD Cn1ccnc1[C@H](NCC1(c2ccc3c(c2)OCCO3)CCCC1)c1ccc([N+](=O)[O-])cc1 513702645 LGCWYXUOXDGJKT-HSZRJFAPSA-N 448.523 4.291 5 20 IIBD COc1ccc(C2=NN(C(=O)COc3ccc([N+](=O)[O-])cc3F)[C@@H](c3ccco3)C2)cc1 515588031 OAKUSFYGBQXONX-LJQANCHMSA-N 439.399 4.092 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(CN3CCC(C)CC3)cc2)cc1OC 516508357 OZNRVTNQDAUERE-UHFFFAOYSA-N 427.501 4.486 5 20 IIBD C[C@H]1CSc2ccc(Br)cc2[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 517084342 LRQWIKHMTINTPG-RMLUDKJBSA-N 449.373 4.180 5 20 IIBD COc1cc2c(cc1OC)CN(Cc1ccccc1NC(=O)c1ccccc1[N+](=O)[O-])CC2 519138815 BOSRGDDPDKVQBC-UHFFFAOYSA-N 447.491 4.423 5 20 IIBD COc1cc(CNCc2cn3ccc(C)cc3n2)ccc1OCc1ccc([N+](=O)[O-])cc1 520960203 QPMLDOUVUYWLPD-UHFFFAOYSA-N 432.480 4.428 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@@H](COc1ccccc1)c1ccccc1 521705341 RBMHKSHTMHUFFI-FQEVSTJZSA-N 439.855 4.123 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@H](C)C[C@@H]3CCCO3)c([N+](=O)[O-])c2)c(C)c1 522622522 XWBGMFNYKCLTTD-SJORKVTESA-N 433.530 4.382 5 20 IIBD COC(=O)c1cc(NC(=O)[C@@H](C)Sc2ccc(Br)cc2)cc([N+](=O)[O-])c1 522927241 LMSBTNVDUPCKOV-SNVBAGLBSA-N 439.287 4.263 5 20 IIBD CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 525138458 IFZVQCLAWUVAAV-DYVFJYSZSA-N 445.545 4.185 5 20 IIBD COc1cc(C(=O)N2C[C@H](c3ccccc3Cl)OCC2(C)C)cc([N+](=O)[O-])c1OC 525567142 XPYSTSPDNLOHRG-GOSISDBHSA-N 434.876 4.258 5 20 IIBD C[C@@H]1CSc2ccccc2N(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C1 533603470 GEWLWVFNFACFSV-ZDUSSCGKSA-N 441.538 4.263 5 20 IIBD O=C1CCc2cc(-c3csc(NC(=O)c4c[nH]c5cccc([N+](=O)[O-])c45)n3)ccc2N1 534250109 XZAJIHMZULKFEO-UHFFFAOYSA-N 433.449 4.337 5 20 IIBD CCOc1ccc(F)c(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1F 534614548 DQEUFQPGPDXDNO-UHFFFAOYSA-N 427.212 4.379 5 20 IIBD O=C(Nc1ccnn1Cc1cnn(-c2ccccc2)c1)c1cc2cc([N+](=O)[O-])ccc2o1 534739682 DXVCTVQFBIXVPO-UHFFFAOYSA-N 428.408 4.024 5 20 IIBD O=C(c1ccccc1NCCC1=CCCCC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 535716733 YJRFVKSJGJAGAL-UHFFFAOYSA-N 435.528 4.255 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCc2c(ncn2CCc2ccccc2)C1 537215111 PLGWSRCJUBBOMW-UHFFFAOYSA-N 444.413 4.251 5 20 IIBD CCc1nc2ccccc2n1C1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 540069900 LZWRNENWIJVBJZ-UHFFFAOYSA-N 448.932 4.186 5 20 IIBD COc1ccc(NC(=O)NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] 541102396 DLBVPTSZPCJNTA-YJYMSZOUSA-N 436.871 4.210 5 20 IIBD CCS(=O)(=O)Nc1ccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1C 541398233 KTQYEGOCLGZZPP-UHFFFAOYSA-N 443.934 4.049 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC[C@H]1CCO[C@H](C)C1 542281597 HIIJJYYIOHQLHK-CVEARBPZSA-N 449.529 4.021 5 20 IIBD CCO[C@@H]1C[C@H](NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)[C@]12CCCO2 545348432 AYXMNFSERHCQKV-TUNNFDKTSA-N 446.887 4.497 5 20 IIBD CC[C@H](C)Oc1ccc(-c2noc(-c3nn(-c4ccccc4[N+](=O)[O-])c(C)cc3=O)n2)cc1 546455850 BRQHGQCEKPRKMH-HNNXBMFYSA-N 447.451 4.343 5 20 IIBD COc1cc(CNC2(Cc3ccc(F)cc3)CCOCC2)c([N+](=O)[O-])cc1OC(F)F 550179877 UYTWYIBGDXEYLD-UHFFFAOYSA-N 440.418 4.225 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(Cl)cc(C(=O)N(C)C)c1OC 552463040 YVFFCLVQBDDWDC-AWEZNQCLSA-N 433.892 4.166 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)NCc2ccc(Oc3ccccc3)nc2)cc1[N+](=O)[O-] 556513322 QRBHEEHITCGLEE-UHFFFAOYSA-N 448.479 4.335 5 20 IIBD COC(=O)c1cc(C)nc(N2CCC[C@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)c1[N+](=O)[O-] 557626830 JATDCUCTGOVXDD-KRWDZBQOSA-N 441.875 4.470 5 20 IIBD O=C1CCCN1Cc1ccc(-c2noc(-c3cc([N+](=O)[O-])ccc3C(F)(F)F)n2)cc1 559951198 PNUJTIKILWWWRG-UHFFFAOYSA-N 432.358 4.453 5 20 IIBD Cn1ccnc1[C@@H](NCc1csc(CCc2ccccc2)n1)c1ccc([N+](=O)[O-])cc1 560524749 NSWNTNKXQCZZPZ-QFIPXVFZSA-N 433.537 4.449 5 20 IIBD COc1cc(CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])ccc1OC1CCCC1 561497365 BNOCZDQKIPFYIV-UHFFFAOYSA-N 427.501 4.309 5 20 IIBD Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)s2)cc1[N+](=O)[O-] 565618493 CWHCDRIBZHHPPA-GFCCVEGCSA-N 438.303 4.029 5 20 IIBD CN(Cc1ccccc1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C(=O)c1cccs1 576498929 VACUXLSGXVYYLD-UHFFFAOYSA-N 445.447 4.388 5 20 IIBD Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c(C)n1C1CCCCC1 576973981 ASAMVEDLSKOXKG-UHFFFAOYSA-N 438.528 4.117 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 578089903 LGICVYHUNVTBOE-HXUWFJFHSA-N 436.537 4.358 5 20 IIBD Cc1ncsc1CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cccs1 580455246 XYAXMCJMRRTBFF-UHFFFAOYSA-N 426.527 4.364 5 20 IIBD CCc1c(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)nnn1Cc1ccc(F)cc1 580956216 YSXGLGCLGYRWAQ-UHFFFAOYSA-N 438.463 4.133 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1C(=O)Nc1cc(C)ccc1OC 589372554 QBGJXFPSNAGBRD-IBGZPJMESA-N 426.473 4.109 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(F)c(Br)c2)c([N+](=O)[O-])c1 590193999 XBIHALRZAJRCNY-GHMZBOCLSA-N 440.269 4.183 5 20 IIBD O=C(Nc1cccc(COc2ccc3c(c2)OCO3)c1)c1n[nH]c2ccc([N+](=O)[O-])cc12 603927983 FPNUDIVTDHQFHI-UHFFFAOYSA-N 432.392 4.031 5 20 IIBD COc1ccc([C@H]2CCCCCN2C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 604163893 FWLRNNLEDUMLHH-LJQANCHMSA-N 431.876 4.339 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(N2c3ccccc3C[C@@H]2C)CC1 604445939 QQNOTXJPYWNUIT-HOTGVXAUSA-N 443.931 4.458 5 20 IIBD CCOc1cc(C(=O)NCc2sc(-c3ccccc3)nc2C)c([N+](=O)[O-])cc1OC 608954730 ZJYSNVXLYMCZKP-UHFFFAOYSA-N 427.482 4.364 5 20 IIBD CC(C)c1nc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)nn1-c1cccc(F)c1 609784826 GSPXIERACFHTMZ-UHFFFAOYSA-N 425.464 4.489 5 20 IIBD Cc1nn(-c2ccc(Br)cc2)c(NC(=O)Cc2ccccc2[N+](=O)[O-])c1C 609871404 CXENNSWHZLXJSR-UHFFFAOYSA-N 429.274 4.341 5 20 IIBD O=C(NCc1cc(F)ccc1Br)c1ccc([N+](=O)[O-])cc1Br 610041540 GOVWYDFTJZYZJM-UHFFFAOYSA-N 432.043 4.189 5 20 IIBD CC[C@](C)(NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-])c1nccs1 610048681 AGDIOSRIYHWDAW-IBGZPJMESA-N 448.526 4.151 5 20 IIBD CNC(=O)COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cc1 611203768 UQILZWLIQOEXPS-UHFFFAOYSA-N 429.498 4.007 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 612131516 DOTDLEZILFUSFG-RVSNTGDXSA-N 432.524 4.036 5 20 IIBD CSc1cccc(C(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)c1[N+](=O)[O-] 614395293 NBEOSKOBXFEFLD-UHFFFAOYSA-N 435.505 4.068 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCO[C@@H](c2ccccc2Br)C1 725723150 CGTRPQMRUNQYOZ-GOSISDBHSA-N 431.242 4.317 5 20 IIBD O=C1CN(CN2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C(=O)N1c1cccc([N+](=O)[O-])c1 726586398 YNWYNNXRCMDHEF-GOSISDBHSA-N 449.294 4.465 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2cnn(C)c2C(F)F)c2ccccc2)c([N+](=O)[O-])c1 727567422 JZDCAZACSFXGLZ-SFHVURJKSA-N 444.394 4.111 5 20 IIBD O=C1/C(=C\c2csc(-c3cccc([N+](=O)[O-])c3)n2)NC(=S)N1c1ccccc1F 733084058 WHTILFMASPMKJN-OQLLNIDSSA-N 426.454 4.120 5 20 IIBD CC(C)[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1I)c1ccccn1 733687994 JGQVRPMZWYVGHT-HNNXBMFYSA-N 426.210 4.149 5 20 IIBD O=C(OCc1nc(-c2ccc(Br)s2)no1)c1cc(Cl)ccc1[N+](=O)[O-] 734025308 KHDQDJRBAYHQFF-UHFFFAOYSA-N 444.650 4.479 5 20 IIBD O=C(OCc1nc(-c2cccc(Br)c2)no1)c1cc(Cl)cc([N+](=O)[O-])c1 736865849 FVYRWPNUPBDQRE-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD O=C(OCCCc1nc(-c2ccccc2)no1)c1ccc([N+](=O)[O-])cc1Br 740409189 BIPVNCQNKYSIKF-UHFFFAOYSA-N 432.230 4.197 5 20 IIBD CCCC[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)Nc1cc(C)on1 740422433 KIPVIQREZSTUDX-AWEZNQCLSA-N 440.250 4.008 5 20 IIBD COc1ccc([C@H]2[C@H](COC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)CCC(=O)N2C)cc1 740561505 GTQJNUBRDFMJHT-JTSKRJEESA-N 440.496 4.034 5 20 IIBD COc1cc(C(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)c([N+](=O)[O-])cc1OC(F)F 740681225 ZZWJPJSYHIVTBS-UHFFFAOYSA-N 431.735 4.327 5 20 IIBD Cc1cc(=O)oc2cc(OCCOC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])ccc12 740978043 YEZWNCUTIXNJJZ-UHFFFAOYSA-N 447.827 4.054 5 20 IIBD COc1ccc(Oc2ccc(NS(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])cn2)cc1 741654324 NUPSKBIHMXWQRA-UHFFFAOYSA-N 435.845 4.245 5 20 IIBD C[C@H](CN1CCN(C)CC1)NC(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34 742250671 FBVDAMLZQFJWAA-LJQANCHMSA-N 441.575 4.299 5 20 IIBD COc1ccccc1-c1c[nH]cc1C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 744921791 LUXWWFLLKWNZFQ-LBPRGKRZSA-N 443.843 4.436 5 20 IIBD COc1ccc2cc(CN(C)C(=O)[C@@H](C)OC(=O)c3cc(C)ccc3[N+](=O)[O-])ccc2c1 745392068 TVVJGWZXRIZOQJ-MRXNPFEDSA-N 436.464 4.269 5 20 IIBD C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)OCc1cc(Cl)ccc1[N+](=O)[O-] 746062906 PWNBZWJTUIHPIA-LLVKDONJSA-N 426.853 4.191 5 20 IIBD CN(C)C(=O)Sc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 746591938 RBTWPBLUPCMNIH-UHFFFAOYSA-N 449.432 4.188 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1C[C@@H]1c1cccc(Br)c1 747523197 XYVCIIFIDHPXPD-IAGOWNOFSA-N 434.242 4.071 5 20 IIBD Cc1ccc(CN(CCc2ccccc2)C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])s1 748639105 VFJITKSTFAIYGV-UHFFFAOYSA-N 438.505 4.428 5 20 IIBD O=C(COC(=O)CCc1ccc(Br)cc1)Nc1ccc([N+](=O)[O-])cc1Cl 748921743 YBGFIXCOBCKCPR-UHFFFAOYSA-N 441.665 4.125 5 20 IIBD O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 749913713 WDGQMWLZXLYFEF-UHFFFAOYSA-N 442.686 4.153 5 20 IIBD C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CCN1Cc1ccccc1 750876400 LHUYHAZHGMXBJM-FPOVZHCZSA-N 436.556 4.368 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2cc(N3CCCC3=O)ccc2Cl)cc1[N+](=O)[O-] 753065287 FCUMQODOCGABMT-UHFFFAOYSA-N 444.296 4.138 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)cc1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 753956906 FPGVMSWZWSPSKV-UHFFFAOYSA-N 425.438 4.190 5 20 IIBD CC(C)(C)OC(=O)N1CCC(n2cc(Nc3ncnc4cccc([N+](=O)[O-])c34)cn2)CC1 754080565 AAODZLSLYHNHHS-UHFFFAOYSA-N 439.476 4.050 5 20 IIBD COc1ccc(CCCN(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1 754992560 CCUKZGRDTBSVKN-UHFFFAOYSA-N 425.254 4.210 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CCc2cc(Br)ccc21 758157026 WDNQLZUVDJWNOH-UHFFFAOYSA-N 426.064 4.323 5 20 IIBD CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)c1cccc([N+](=O)[O-])c1Br 758337156 TUSFCWWUKUAZLU-UHFFFAOYSA-N 444.326 4.171 5 20 IIBD O=c1c(-c2ccccc2)coc2cc(OS(=O)(=O)Cc3ccccc3[N+](=O)[O-])ccc12 758994990 QLGOGQLPFNZVNG-UHFFFAOYSA-N 437.429 4.277 5 20 IIBD O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])c(Cl)c1 765487165 LFRIHIQFQYBFCL-UHFFFAOYSA-N 438.311 4.175 5 20 IIBD CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2cnc(C3CCCC3)s2)NC(=S)N1 767866404 BLMKVVKMNPLDMG-QGZVFWFLSA-N 443.554 4.140 5 20 IIBD O=C(N[C@H]1CCc2cc(O)ccc2C1)c1cc(Br)cc([N+](=O)[O-])c1Cl 768844066 CJKHTGAUZRSTQV-LBPRGKRZSA-N 425.666 4.004 5 20 IIBD CN(CCO)c1ccc(NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 770541737 VTXDIQJVLVNKKN-UHFFFAOYSA-N 443.507 4.488 5 20 IIBD Cc1nc(NCC(=O)NCc2cccc([N+](=O)[O-])c2)c2cc(-c3ccccc3)sc2n1 770921357 BSRTYSCNGBUYSR-UHFFFAOYSA-N 433.493 4.303 5 20 IIBD O=C(Oc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 771480402 JWVNBVBLAULWTP-MRXNPFEDSA-N 427.215 4.251 5 20 IIBD CSc1cccc(C(=O)Nc2cccc(CN(C)C(=O)C(F)(F)F)c2)c1[N+](=O)[O-] 776774295 JLMQSJBUQNVUGP-UHFFFAOYSA-N 427.404 4.090 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCc2ncc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2C1 777005082 FVNZZQVPVBTOPG-AWEZNQCLSA-N 446.891 4.278 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])c2nsnc2c1)c1cccc(OCc2ccccn2)c1 777796424 GAERVJWTBLXDBU-ZDUSSCGKSA-N 435.465 4.065 5 20 IIBD O=C(N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 778423675 WJMPHCYBYAKPFX-OAHLLOKOSA-N 433.459 4.259 5 20 IIBD Cc1cc(Cl)ccc1O[C@@H](C)C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 778679015 LFZCFHJMOXRBJX-NSHDSACASA-N 427.240 4.159 5 20 IIBD O=C(NC[C@H](O)c1ccccc1Cl)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 780913799 OTGHKCQKLQRPFT-IBGZPJMESA-N 428.822 4.076 5 20 IIBD COc1cc(Br)cc(C)c1NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781624356 LGLHYYHSKAZDGH-UHFFFAOYSA-N 438.234 4.154 5 20 IIBD CC(C)Oc1cccc([C@H](C)OC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c1 781669162 BZWKCIRBZOPTMW-YOEHRIQHSA-N 432.498 4.353 5 20 IIBD CC(C)(C)OC(=O)Nc1cnc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cn1 783375561 ZNYVJKXPPLGHJW-UHFFFAOYSA-N 442.457 4.108 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cc(Cl)nc(N2CCCC2)c1 785382367 ZNZOYKBMQSOLMP-UHFFFAOYSA-N 428.798 4.192 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2cccc3[nH]ncc23)c2ccccc2)c([N+](=O)[O-])c1 785593779 AMXXTTAHXGNIBN-NRFANRHFSA-N 430.420 4.316 5 20 IIBD C[C@H](OC(=O)C1(NC(=O)OC(C)(C)C)Cc2ccccc2C1)c1ccccc1[N+](=O)[O-] 786095006 OCFABKMZXTXUHN-HNNXBMFYSA-N 426.469 4.261 5 20 IIBD CCOc1cc(CN2CCC(CNC(=O)OCc3ccccc3)CC2)ccc1[N+](=O)[O-] 786111424 XUMZJJGLRPBQQP-UHFFFAOYSA-N 427.501 4.132 5 20 IIBD O=C(O[C@H]1CCOC2(CCOCC2)C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 786497300 OWZYNNPNQBCHBK-IBGZPJMESA-N 427.453 4.059 5 20 IIBD O=C(O[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1)c1ncoc1-c1ccc(F)cc1 787026053 NMXZGDGTIKWCFZ-MRXNPFEDSA-N 429.379 4.354 5 20 IIBD CC(C)N(CCC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)OC(C)(C)C 787602719 ASYXKYAPBIQFHJ-UHFFFAOYSA-N 433.427 4.265 5 20 IIBD C[C@H](OC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1OC(F)F 790744432 UQFKEGCNCVAASS-VIFPVBQESA-N 446.765 4.102 5 20 IIBD O=[N+]([O-])c1ccc(N2CCOCC2)c(-c2nc(-c3cccc(CN4CCCCC4)c3)no2)c1 795723566 IRHQTNJCLXHQPH-UHFFFAOYSA-N 449.511 4.134 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Oc2ccc(CNC(=O)OC(C)(C)C)cc2)c1C 796038021 MEUOGTKJRXRJEG-UHFFFAOYSA-N 436.486 4.004 5 20 IIBD C[C@@H]1C(=O)CC[C@@H]1CC(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 796232296 GJYKECHCWUBUNX-KUUHDYPXSA-N 444.871 4.477 5 20 IIBD COC(=O)Nc1cccc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c1C 798050791 STMUUUSIUUWEBZ-UHFFFAOYSA-N 437.456 4.195 5 20 IIBD Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 798084584 ZPHIJZYQPRDVQU-UHFFFAOYSA-N 425.489 4.239 5 20 IIBD O=C(COC(=O)c1csc2c1CCCC2)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 800742287 FKQWEDWQBWVPIJ-UHFFFAOYSA-N 428.388 4.349 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)N(C)CCc3cccc([N+](=O)[O-])c3)cc2F)C[C@@H](C)O1 800915074 DNVQIOVJGXETAQ-IYBDPMFKSA-N 430.480 4.054 5 20 IIBD C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 807453702 DLFWAJCDMMHLMH-NSHDSACASA-N 443.809 4.295 5 20 IIBD CN(CC(=O)N(c1ccccn1)C1CCCC1)c1cc(Br)ccc1[N+](=O)[O-] 808569951 SGWUKXAQOLTPMU-UHFFFAOYSA-N 433.306 4.164 5 20 IIBD O=C(N[C@H](c1noc(-c2cc([N+](=O)[O-])ccc2N2CCCC2)n1)C1CC1)c1ccccc1 809510148 NEDSUHYAGFLDLH-FQEVSTJZSA-N 433.468 4.126 5 20 IIBD CCN(Cc1ccc(OC)cc1OC)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 809812263 OCPZFTFMWBOEGR-UHFFFAOYSA-N 449.312 4.130 5 20 IIBD CC(C)(C)OC(=O)N1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c2ccccc21 810053180 JBXLVICSHHSCSR-UHFFFAOYSA-N 437.456 4.407 5 20 IIBD CN(Cc1ccc(Cl)s1)C(=O)COC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811375133 VJPILVYOSHYLKS-UHFFFAOYSA-N 437.688 4.432 5 20 IIBD Cc1cccc(NS(=O)(=O)c2ccc(C)c(-c3nc(CCC(C)(C)[N+](=O)[O-])no3)c2)c1 812815127 FQNLSRUBWLQDCL-UHFFFAOYSA-N 444.513 4.142 5 20 IIBD O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813416003 HWRGVQJYYQVWHI-UHFFFAOYSA-N 426.275 4.435 5 20 IIBD CC(C)(C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-])c1csc(-c2ccccc2F)n1 814592540 CTMISQIZAKNBHI-UHFFFAOYSA-N 443.456 4.317 5 20 IIBD COc1ccc([C@H](NC(=O)COC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C(C)C)cc1 815406869 YQMGUDHWEHLBMC-HXUWFJFHSA-N 434.876 4.236 5 20 IIBD C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(N2CCCOC2=O)cc1 817314474 RNNIUDIKZQAFHR-LBPRGKRZSA-N 448.273 4.195 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1Cc2cnn(-c3ccccc3)c2C1 819372563 AUVAMZTZMFBGDZ-UHFFFAOYSA-N 447.676 4.352 5 20 IIBD CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 820158730 VJLQVOCNEREFST-CQSZACIVSA-N 442.472 4.308 5 20 IIBD CC(=O)N1CCN(c2cccc(NCc3cc([N+](=O)[O-])ccc3OC(C)C)c2C)C1=O 864028238 RWSGZUDKLPLWJI-UHFFFAOYSA-N 426.473 4.091 5 20 IIBD Cc1c(OC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cccc1[N+](=O)[O-] 917755708 IHLFJFHXOJXVDD-UHFFFAOYSA-N 446.525 4.006 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)c1cc(-c2ccco2)on1)c1cccc([N+](=O)[O-])c1 918633531 OVIRVITUJFPSOO-INIZCTEOSA-N 439.424 4.085 5 20 IIBD C[C@@H](OC(=O)c1ccc(-c2ccccc2)nc1O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 919296435 MDZAYARXYBENJP-GFCCVEGCSA-N 441.827 4.200 5 20 IIBD COc1ccc(OC(=O)[C@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)c([N+](=O)[O-])c1 919678554 BCKMJLXZOJWENW-VWGXWWAPSA-N 444.871 4.257 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 1320522945 SYGVXXXVCDKAHE-UHFFFAOYSA-N 429.305 4.419 5 20 IIBD O=[N+]([O-])c1ccc(CNc2ccc(Cc3nnc4n3CCC4)cc2)c(Br)c1 1320687107 NIZSWEKJUALGQT-UHFFFAOYSA-N 428.290 4.098 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1CC[C@H]2OCCC[C@@H]2C1 1324060420 MAEQJBHLMJIDPH-HBGVWJBISA-N 429.904 4.429 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(-n2cnc3ccccc32)nc1 1326470936 PHDRMTXZQHZMAK-UHFFFAOYSA-N 444.495 4.449 5 20 IIBD CN1C(=O)C[C@H](c2nnc(COc3ccccc3[N+](=O)[O-])o2)[C@@H]1c1ccc(Cl)c(F)c1 1335354384 SAJFHISEYYUKHP-BUXKBTBVSA-N 446.822 4.036 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3CCCc4c3cnn4Cc3ccccc3)CC2)cc1 1337504940 WOACQKYWHRNBNO-XMMPIXPASA-N 431.540 4.476 5 20 IIBD O=C(COc1ccccc1)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1 1787721593 DZWYFPFTRXVUQK-UHFFFAOYSA-N 435.436 4.015 5 20 IIBD CCCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4n[nH]cc4[N+](=O)[O-])cc3)CCC2)cc1 1789689332 HCEIMCULNVQJNX-UHFFFAOYSA-N 447.495 4.332 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1sccc1Cl)c1cc(F)cc([N+](=O)[O-])c1 1798974624 XIYYZYLDIBEYJB-BTTYYORXSA-N 437.880 4.014 5 20 IIBD CC1(C(=O)N2CCCC3(CCN(C(=O)Cc4ccc([N+](=O)[O-])cc4F)CC3)C2)CCCC1 1804991200 NSANBBPFNMJIHE-UHFFFAOYSA-N 445.535 4.088 5 20 IIBD O=C(c1cccs1)N1CCC([C@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1823679158 AWNNMYFBRDIHOR-HXUWFJFHSA-N 441.553 4.132 5 20 IIBD CC1(C)CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccc([N+](=O)[O-])o3)CC2)C1 1824278512 KCLQFZJJXTYUKJ-CPSHHHPTSA-N 443.544 4.257 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCCCN2C(=O)c2ccsc2)CC1 1825791878 CHPHIPLRRJCRTA-NRFANRHFSA-N 441.553 4.132 5 20 IIBD C/C=C/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc(F)ccc2[N+](=O)[O-])CC1 1832888131 FXXUWDDGAKSXKD-MESDEOKJSA-N 443.519 4.028 5 20 IIBD CC[C@H]1CC[C@H](C(=O)N2CCCC23CN(C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])C3)CC1 1846213987 WURZEFATTSLPRR-QAQDUYKDSA-N 447.963 4.211 5 20 IIBD Cc1ccc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](c2ccccc2)C(C)C)cc1[N+](=O)[O-] 1847618213 LUXXEKLDWZSZEB-HWBMXIPRSA-N 449.551 4.087 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc2n1 9258397 DRWULIICJLVOBK-UHFFFAOYSA-N 433.342 4.266 5 20 IIBD CCCCn1c(=O)c2ccccc2n2c(SCc3cc([N+](=O)[O-])ccc3OC)nnc12 10052386 RSBIDMRSDDMSHB-UHFFFAOYSA-N 439.497 4.053 5 20 IIBD O=C(COc1ccc2oc3c(c2c1)CCCC3)OCc1cc([N+](=O)[O-])cc2c1OCOC2 10839458 BYIKJEFXGOMVNJ-UHFFFAOYSA-N 439.420 4.209 5 20 IIBD Cc1ccc(C(=O)c2ccccc2C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 10863383 FVMIDTUSJLPEFW-INIZCTEOSA-N 432.432 4.318 5 20 IIBD Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)c3c(C)noc3n2)cc1 12177079 VIYYZBDXROMPMV-UHFFFAOYSA-N 446.419 4.210 5 20 IIBD O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccccc1[N+](=O)[O-] 15630508 FNHODXWXGSEXIU-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 16196195 UXUAYIOQSLBPRM-SECBINFHSA-N 439.833 4.062 5 20 IIBD Cc1ccc(NC(=O)[C@@H](Sc2nnnn2C2CCCC2)c2ccccc2)c([N+](=O)[O-])c1 16371619 PKJZNCCMKINQAV-IBGZPJMESA-N 438.513 4.477 5 20 IIBD CCc1ccccc1N(C(C)=O)c1nc(COC(=O)c2cc([N+](=O)[O-])ccc2N)cs1 16814354 OPJYSXFAXVTRMH-UHFFFAOYSA-N 440.481 4.238 5 20 IIBD CCCN(Cc1ccc(C)cc1)C(=O)COC(=O)c1ccc(Br)c([N+](=O)[O-])c1 19015879 QNXPFUVZHIWMBG-UHFFFAOYSA-N 449.301 4.261 5 20 IIBD CCOc1cc(C(=O)OCc2nc(-c3cccc(Cl)c3)no2)c([N+](=O)[O-])cc1OC 19474452 UCOYBLNHAGIFJA-UHFFFAOYSA-N 433.804 4.063 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccc(CO)cc1 23646476 OVCUSOLVDHQFBM-HXUWFJFHSA-N 440.839 4.277 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1cc2ccccc2o1 23927970 CITZMZQMLHSSOO-KDOFPFPSSA-N 441.509 4.070 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)ccc1Cl 26881772 DKDDZGJSBJWDAJ-UHFFFAOYSA-N 442.859 4.149 5 20 IIBD O=[N+]([O-])c1cccc(OCCSc2nnc(-c3cccnc3)n2Cc2ccccc2)c1 59123883 BLKXVWLHYFVTFL-UHFFFAOYSA-N 433.493 4.468 5 20 IIBD O=C(Nc1ccc2ccccc2n1)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 63836773 KHYLSHUGQRJUNK-UHFFFAOYSA-N 448.460 4.196 5 20 IIBD CCOc1cc(C(=O)N[C@H](c2nc3ccccc3[nH]2)[C@H](C)CC)c([N+](=O)[O-])cc1OC 71937721 YCSHNGGVXYZPOO-XCLFUZPHSA-N 426.473 4.396 5 20 IIBD Cc1cc(C)cc(-c2nnc(Sc3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])o2)c1 301246466 OFKBQFXPMZHWQW-UHFFFAOYSA-N 441.437 4.409 5 20 IIBD O=[N+]([O-])c1ccc(N2CCCN(c3nnc(C(F)(F)F)s3)CC2)c(C(F)(F)F)c1 302730822 VSWJJJWUSWQEFH-UHFFFAOYSA-N 441.357 4.201 5 20 IIBD COC(=O)[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(OC(F)F)cc1 428053918 GDHXKAIAVGWHQO-IBGZPJMESA-N 432.379 4.460 5 20 IIBD O=[N+]([O-])c1ccc(N[C@@H]2CCN([C@@H](c3ccccc3)c3nc(-c4ccccc4)no3)C2)nc1 430026710 QSTKBYLABXCSMP-KNQAVFIVSA-N 442.479 4.316 5 20 IIBD Cc1c(NC(=O)CCN(Cc2ccc(Cl)cc2)Cc2cnn(C)c2)cccc1[N+](=O)[O-] 430272056 ILHKIMSEOIJPMY-UHFFFAOYSA-N 441.919 4.321 5 20 IIBD O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 436174509 VWEGTYPVSHDGHR-UHFFFAOYSA-N 428.452 4.233 5 20 IIBD Cc1c(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cccc1C(=O)N1CCCC1 436252655 JPAQMDCWHCUYIH-UHFFFAOYSA-N 425.488 4.478 5 20 IIBD O=C(Nc1ccc(F)cc1)c1nnc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)s1 441253652 AZQMLKRVSUZWKC-UHFFFAOYSA-N 427.461 4.002 5 20 IIBD CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 443955024 FOOJXLPAWSHJHA-OAHLLOKOSA-N 444.454 4.256 5 20 IIBD CCc1ccc2c(c1)[C@H](CCNC(=O)c1ccc3[nH]c4ccccc4c(=O)c3c1)C(=O)N2 444009210 JFGRLGIRTOIXPH-KRWDZBQOSA-N 425.488 4.100 5 20 IIBD O=C(N[C@H]1CCN(c2ccccc2OC(F)F)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 444026817 ZKBWHBOMUDIAAJ-INIZCTEOSA-N 449.457 4.291 5 20 IIBD CC(C)OC(=O)C[C@H]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 444324182 MGKREWDGDMUCHA-CQSZACIVSA-N 442.462 4.153 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1cn(Cc2ccccc2)c2ccccc12 444645915 QXVBZFTTZJHNCL-UHFFFAOYSA-N 425.448 4.404 5 20 IIBD CSc1nnc(-c2noc(-c3ccc(N4C[C@@H](C)C[C@H](C)C4)c([N+](=O)[O-])c3)n2)s1 445609255 RVQYQTMBGUSOLJ-QWRGUYRKSA-N 432.531 4.368 5 20 IIBD COc1ccc(NC(=O)CN[C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 445986316 UAAQXHBIAQONAZ-DOTOQJQBSA-N 437.418 4.487 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 447812079 JNGORFJAASVCDW-RXVVDRJESA-N 435.883 4.162 5 20 IIBD O=[N+]([O-])c1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)cc1 447864810 TVYRRAOOYDXYAX-HNNXBMFYSA-N 436.408 4.189 5 20 IIBD Cc1cc(C[C@H](C)NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])n(-c2ccccc2)n1 448180629 NACZCFMZMPHKSM-HNNXBMFYSA-N 442.903 4.259 5 20 IIBD CC(C)(c1ccccc1)c1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1C[C@@H]1CCOC1 461586644 DXSYRRQORKFTNS-SFHVURJKSA-N 447.539 4.111 5 20 IIBD O=C(Nc1ccccc1)N1CCC(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)CC1 461701223 MOFINAZOBLDOFP-OAQYLSRUSA-N 440.525 4.113 5 20 IIBD COc1cc(CN2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)c([N+](=O)[O-])cc1OCC(F)F 463204902 TWCZROMWZMOMNK-XZKMEQPCSA-N 442.503 4.399 5 20 IIBD COc1cc(CSc2nnc([C@@H](C)N(C)C)n2-c2ccc(F)cc2)c([N+](=O)[O-])cc1F 463411801 CVCBOFNUJMKHEW-GFCCVEGCSA-N 449.483 4.377 5 20 IIBD CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 463683152 YKWFTRDEMGKWGT-UHFFFAOYSA-N 426.281 4.271 5 20 IIBD O=C1CC[C@H]2CN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])c3cccc1c32 463802237 TVAWYIPCDWDSNO-VIFPVBQESA-N 427.265 4.171 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H](CO)Cc1ccccc1OC(F)(F)F 463972965 FWGJRNALGKWQQA-AWEZNQCLSA-N 441.406 4.083 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 465696133 SFWYUNWXIRRHDK-NRFANRHFSA-N 445.479 4.002 5 20 IIBD CC(C)[C@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(F)cc1F 468346283 NLPJJENLQFMFNW-FQEVSTJZSA-N 433.411 4.075 5 20 IIBD CC[C@H](NC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21)c1cccc([N+](=O)[O-])c1 469529456 QACNQLNTIFYSGW-CVEARBPZSA-N 432.274 4.051 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@@H]3CCCC[C@@H]3n3cccn3)cc2[N+](=O)[O-])C1 470655557 IWNSNKKDTQRKKJ-BWPNAZKDSA-N 425.533 4.187 5 20 IIBD NC(=O)[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1cccc(Br)c1 475435942 SZQQHSLVFUBDLG-GOSISDBHSA-N 446.326 4.402 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N(C)C2c3ccccc3-c3ccccc32)cc1OC 477531307 YZHDQVNCFZLKEZ-UHFFFAOYSA-N 448.475 4.471 5 20 IIBD COc1ccc(-c2ccc(CN[C@@H](C)CS(=O)(=O)c3ccc(C)cc3)o2)c([N+](=O)[O-])c1 479394072 QLUPZJXKHCTLGU-INIZCTEOSA-N 444.509 4.124 5 20 IIBD COc1cc(C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc([N+](=O)[O-])c1C 480113557 ZLFVZDOKSUQNGW-UHFFFAOYSA-N 426.454 4.246 5 20 IIBD Cc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 481592311 BFKZTKOBXSFDKP-HOTGVXAUSA-N 438.528 4.340 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnc(-c2cnccn2)n1Cc1ccco1 481844782 VSYPNEMROCHYKX-UHFFFAOYSA-N 448.386 4.455 5 20 IIBD COC(=O)c1cc(OCC(=O)c2cc(C)n(CCc3cccs3)c2C)ccc1[N+](=O)[O-] 481993338 WSLIAGONTHJTPT-UHFFFAOYSA-N 442.493 4.366 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2nc3ccccc3nc2N2CCCC2)cc1SC 482000209 SAYGIFRSDWBYNM-UHFFFAOYSA-N 439.497 4.121 5 20 IIBD Cc1c(C(=O)Nc2cc(F)c(F)cc2N2CCCCC2)nnn1-c1cccc([N+](=O)[O-])c1 484883669 PLGRZSAGWFDLAP-UHFFFAOYSA-N 442.426 4.005 5 20 IIBD COC(=O)[C@H](C)Cc1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 486154137 GCDYOUYGGCJVLQ-SECBINFHSA-N 427.276 4.023 5 20 IIBD CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)c1cccc(SC)c1[N+](=O)[O-])C1CC1 486262968 XBZRRYFPYIAITO-SFHVURJKSA-N 428.510 4.096 5 20 IIBD CC(C)(NC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)c1ccc([N+](=O)[O-])cc1 486775440 HIEDQLFYMLPNKC-HNNXBMFYSA-N 436.295 4.306 5 20 IIBD Cc1ccc(Br)cc1NC(=O)CCNc1nc(-c2ccc([N+](=O)[O-])cc2)no1 486985191 USHKZTNUQHHDPB-UHFFFAOYSA-N 446.261 4.156 5 20 IIBD COC(=O)c1cc(NC(=O)C(=O)Nc2cccc(Oc3ccccc3)c2)c(C)c([N+](=O)[O-])c1 487849616 ICGJAWNSBGEQJK-UHFFFAOYSA-N 449.419 4.059 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(C)c2ccc(Cl)cc21 489935864 QKTYCROCRUGVNX-UHFFFAOYSA-N 435.933 4.473 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O 490816594 CQXNEOKODVGRLK-MRXNPFEDSA-N 437.880 4.035 5 20 IIBD CCc1nc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)nn1-c1ccccc1Cl 493084992 ZPTZIRSXMHMLCB-UHFFFAOYSA-N 425.876 4.196 5 20 IIBD O=C(c1ccc(S(=O)(=O)C2CCCC2)cc1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 498147351 PYTQQFURKIVBBI-NRFANRHFSA-N 446.550 4.199 5 20 IIBD CCN(CC)CCn1c(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)nc2ccccc21 498244968 VUKACKKRRWCYFQ-UHFFFAOYSA-N 447.442 4.140 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc3nc(C(F)F)sc3c2)cc1[N+](=O)[O-] 498986442 WELHWXQNXDWICW-JTQLQIEISA-N 434.424 4.266 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)c(O)c(Cl)c2)ccc1[N+](=O)[O-] 501981427 WCECEPJWWRNXCV-MRXNPFEDSA-N 438.267 4.159 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1CCN(C2CCC2)CC1 502553029 FJZFVYANHWSCHW-NRFANRHFSA-N 428.920 4.098 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)c1 502804157 BSHVQVZIAUHTCE-KRWDZBQOSA-N 437.315 4.293 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@@H](CCCc1ccccc1)c1ccccc1 502926128 QCHPUZNOOTZFTN-NRFANRHFSA-N 445.475 4.383 5 20 IIBD COc1ccc([C@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)N2CCCC2)cc1 503474359 PTVORDRQGIWSAB-QHCPKHFHSA-N 440.544 4.361 5 20 IIBD Cc1ccc2c(CCNC(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)c[nH]c2c1 503874659 QTZAIKCKBLHFGD-UHFFFAOYSA-N 431.496 4.219 5 20 IIBD CCOC(=O)c1ccc(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 508208155 MVIYVVDQWRYGHO-MRXNPFEDSA-N 448.479 4.270 5 20 IIBD O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 509347709 CLRJMUZJJNQXCL-WUTVXBCWSA-N 445.317 4.116 5 20 IIBD O=C(NC1CCCCC1)NC1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 511764054 WNCWYXUTHDFMQO-UHFFFAOYSA-N 426.517 4.451 5 20 IIBD C[C@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 515695444 KEAIJSSXTWTUAL-ZDUSSCGKSA-N 437.905 4.064 5 20 IIBD O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N(Cc1ccncc1)C1CC1 517889301 VTGMVCKRYKLOHD-UHFFFAOYSA-N 448.445 4.416 5 20 IIBD C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 518867242 RUMCRHYUMDMMTC-KFWWJZLASA-N 429.439 4.013 5 20 IIBD Cc1cc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 519576454 OPOIJVUYOMGAQS-PGRDOPGGSA-N 433.512 4.289 5 20 IIBD CCc1ccc2c(c1)[C@@H](CCNC(=O)c1csc(-c3ccc([N+](=O)[O-])cc3)n1)C(=O)N2 520358440 FUESNDAZBRDVMU-MRXNPFEDSA-N 436.493 4.137 5 20 IIBD NC(=O)c1ccc(SCC(=O)N(CCc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 520660843 RZEDPNQWLHUEHQ-UHFFFAOYSA-N 435.505 4.062 5 20 IIBD COC(=O)[C@H](C)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2 520676994 ABUXJFDFJYHCSZ-SUCHYCSPSA-N 445.475 4.311 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@H]1CCCN(C(=O)c2ccccc2)C1 520860814 SIQMHUHTVBDKJM-KRWDZBQOSA-N 436.493 4.209 5 20 IIBD CCOc1ccc(Br)cc1N[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 524407483 OCKSMBZSZCMDDY-NSHDSACASA-N 438.278 4.204 5 20 IIBD O=C(NC1(c2ccc3c(c2)OCCO3)CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 524680257 SBWBUXJOYOCZQA-UHFFFAOYSA-N 437.496 4.166 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2cccnc2-c2cnn(C)c2)cc1[N+](=O)[O-])c1ccccn1 527286235 XYBQVDQKUXMDOL-HNNXBMFYSA-N 443.467 4.211 5 20 IIBD COc1ccc(CNC(=O)c2ccc(NC(=O)Nc3ccccc3)s2)cc1[N+](=O)[O-] 530862597 GMDCQYWCRVMWBA-UHFFFAOYSA-N 426.454 4.239 5 20 IIBD CN(C)[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(Cl)cc1 530949480 MBTUHVSJMLRRKL-MRXNPFEDSA-N 426.698 4.043 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CS(=O)(=O)Cc3cc(-c4ccccc4)no3)co2)cc1 534060499 FMZRSVIVEZLBJO-UHFFFAOYSA-N 425.422 4.020 5 20 IIBD COc1ccc2ccccc2c1-c1cc(Cn2c(-c3ccc([N+](=O)[O-])cc3)noc2=O)on1 537558498 HCRAMXRSYKCEBV-UHFFFAOYSA-N 444.403 4.277 5 20 IIBD CCN1CC[C@H](N(C)Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C[C@H]1C 538717189 JOHVJWPKNLJMDZ-NQIIRXRSSA-N 427.545 4.487 5 20 IIBD Cc1cc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc(C)c1OCc1ccccn1 539837574 MQKCNHFOOUNLJB-FQEVSTJZSA-N 433.512 4.267 5 20 IIBD COc1cc(CN[C@H](C)c2cccc(N3CCCC3=O)c2)c([N+](=O)[O-])cc1OC(F)F 540407894 OBISBYXSLUYTRX-CYBMUJFWSA-N 435.427 4.182 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@H](c4n[nH]c(C5CCCCC5)n4)C3)n2)cc1 540864498 IVKYUOAAERUHRQ-KRWDZBQOSA-N 437.504 4.190 5 20 IIBD C[C@H](NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccc(NC(=O)c2ccncc2)cc1 544442778 GKIFVHCQJRHIKZ-CABCVRRESA-N 436.443 4.362 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(N3CCCN(C)CC3)nc2)no1 545652324 ICSYEWWXKCMKPZ-OAHLLOKOSA-N 440.529 4.035 5 20 IIBD CSc1cccc(N2C[C@@H](c3nc(Cc4c[nH]c5ccc([N+](=O)[O-])cc45)no3)CC2=O)c1 545849474 HKEYMHNWBWWWGX-AWEZNQCLSA-N 449.492 4.292 5 20 IIBD COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 546785476 BSTYLBPGIMMIRD-LBPRGKRZSA-N 440.374 4.140 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2cccc(F)c2)C1 551527516 BEYIHXSZMKQXNJ-OAHLLOKOSA-N 432.473 4.019 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 552530399 FJNVCNNSTRRANZ-OLZOCXBDSA-N 442.463 4.234 5 20 IIBD CC(C)(NC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1)c1ccccc1[N+](=O)[O-] 553716010 PZKCIFAOGHKTEC-QFIPXVFZSA-N 445.475 4.202 5 20 IIBD Cc1c([C@@H](C)NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cnn1-c1ccc(F)cc1 555114370 LHQDDJNUMUSOFX-OAHLLOKOSA-N 425.464 4.173 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)CCCC(=O)c1ccc(Br)cc1 557077409 GDAQJUPNJVOIJQ-UHFFFAOYSA-N 433.302 4.411 5 20 IIBD C[C@@H](NC(=O)Nc1cccc(F)c1I)c1cccc([N+](=O)[O-])c1 559845214 MOANRSRFCCCSSL-SECBINFHSA-N 429.189 4.221 5 20 IIBD Cc1cc(C)c(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1I 560721164 FIZNBGJXNDSRKY-UHFFFAOYSA-N 438.265 4.131 5 20 IIBD CC[C@@H](C)Oc1cccc(NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c1 563901574 CQQHJIYBZIQBIT-LLVKDONJSA-N 436.262 4.112 5 20 IIBD C[C@H](C(=O)N[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 568948093 RZDFQHNXJVIGBP-KSFYIVLOSA-N 438.505 4.008 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H]2CCSc3ccc(F)cc32)cc1[N+](=O)[O-] 571336597 BRWQZVTZCAQKMG-INIZCTEOSA-N 431.489 4.323 5 20 IIBD COc1ccc(Cc2nc(CC(=O)Nc3cc(Cl)ccc3Cl)no2)cc1[N+](=O)[O-] 576067152 RSAQHQPQWAIEHP-UHFFFAOYSA-N 437.239 4.065 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(CC)[C@H]2c2ccc(Cl)c(F)c2)c1 578135601 KSRGTPCWOVIALM-ICSRJNTNSA-N 435.883 4.351 5 20 IIBD Cc1ccc(Cl)c2sc(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)nc12 588774557 GJIPYCAKZGSSQQ-LLVKDONJSA-N 434.861 4.003 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@@H](C)c3nccn3-c3ccccc3)cc2)c(C)c1[N+](=O)[O-] 588778344 CASPKYMLUKYTDQ-KRWDZBQOSA-N 444.495 4.133 5 20 IIBD CCN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C(c1ccccc1)c1ccccc1 603529756 QOFFGOURGUCFTJ-UHFFFAOYSA-N 427.464 4.427 5 20 IIBD COC(=O)c1cc(CNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)oc1C 603571446 DOENMALKBYIUKF-UHFFFAOYSA-N 447.494 4.129 5 20 IIBD CC(C)c1ccc([C@@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C(C)C)cc1 603749401 AFIRQODMEVEFCH-QFIPXVFZSA-N 425.533 4.342 5 20 IIBD COc1ccc(-c2csc(NC(=O)CCOc3ccccc3[N+](=O)[O-])n2)cc1OC 603946980 WTLLVNWUUKCHSN-UHFFFAOYSA-N 429.454 4.143 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cccc(OCC(F)(F)F)c2C)cc([N+](=O)[O-])c1 609022183 HCYNKQKMFZNZJK-UHFFFAOYSA-N 426.347 4.273 5 20 IIBD COC(=O)c1ccc2c(c1)CN(C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)C2 609299109 AJSXXCCWOGGSFB-UHFFFAOYSA-N 431.448 4.150 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NCc1ccccc1Oc1ccccc1 609392139 OBPOTRCDXNQMGQ-UHFFFAOYSA-N 439.855 4.087 5 20 IIBD O=C(c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCn2cnnc2C1 609511505 CKZGYCXDBOIAHI-UHFFFAOYSA-N 449.414 4.012 5 20 IIBD Cn1c(SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)nnc1-c1ccc(Cl)cc1 609749840 CKJJNYDRWNZCNW-UHFFFAOYSA-N 445.888 4.134 5 20 IIBD Cn1cc(-c2csc(NC(=O)CSc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)cn1 610184186 IJIIJPQLWGAGPD-UHFFFAOYSA-N 443.432 4.201 5 20 IIBD CC[C@H](CC(F)(F)F)NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 612815108 LPOFOGQTNHMRPF-GFCCVEGCSA-N 442.360 4.176 5 20 IIBD CCN(Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1)C(C)C 726053655 LNGSCFAQCSNQBK-UHFFFAOYSA-N 433.892 4.274 5 20 IIBD O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1CCc2c(ccc(Cl)c2Cl)C1 726185224 MLCBSDMYMOULTC-UHFFFAOYSA-N 431.279 4.141 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)[C@H](OC2CCCC2)c2ccccc2)c([N+](=O)[O-])c1 727017983 PXQPHPCRAQMYOD-YCRPNKLZSA-N 442.468 4.174 5 20 IIBD O=C(COC(=O)C1(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 727559590 QCWOLOWETPMLOS-UHFFFAOYSA-N 442.777 4.481 5 20 IIBD O=C(COc1cccc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])c1)Nc1ccccc1 727708103 KRPREGRNFQRMDZ-UHFFFAOYSA-N 427.363 4.143 5 20 IIBD COC(=O)[C@@H](C)NC(=O)c1ccc(N[C@@H](C)c2csc3ccccc23)c([N+](=O)[O-])c1 729986129 HTCUEMHEXRMOET-QWHCGFSZSA-N 427.482 4.274 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1)c1cccc([N+](=O)[O-])c1 731457745 BURUCIXHLVCVOM-UHFFFAOYSA-N 425.328 4.114 5 20 IIBD C[C@@H](OC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])c1cccc(NC(=O)c2ccccc2)c1 731735192 LQRXJRMHRUAASD-MRXNPFEDSA-N 448.431 4.343 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2)nc1 733235134 SZDNMIHHGMTTKJ-UHFFFAOYSA-N 434.452 4.179 5 20 IIBD C[C@@H](CC(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccc(C(F)(F)F)cc1 733521650 FOQGWKJVXBHEDB-NSHDSACASA-N 428.338 4.428 5 20 IIBD CC(C)Oc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2I)cc1 735251267 XRMKDLVPTXYRHH-UHFFFAOYSA-N 427.194 4.206 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3cc(C)c(F)cc3C(N)=O)cc2[N+](=O)[O-])n1 736534378 JRTOHGGRLINRAJ-UHFFFAOYSA-N 446.485 4.310 5 20 IIBD CN(Cc1cccc(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1)C(=O)OC(C)(C)C 737028220 PLMIAIQKSWYKED-UHFFFAOYSA-N 444.488 4.162 5 20 IIBD CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 740868594 PPHCJNWUTVITIX-UHFFFAOYSA-N 439.447 4.080 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3c(Cl)nc4ccccn34)CC2)ccc1[N+](=O)[O-] 744199906 ANODYQGLFZIMDA-UHFFFAOYSA-N 444.875 4.120 5 20 IIBD C[C@H](OC(=O)c1ccccc1NC(=O)c1ccsc1)C(=O)Nc1cccc([N+](=O)[O-])c1 744616017 FCUMCBILBGBZAU-ZDUSSCGKSA-N 439.449 4.093 5 20 IIBD Cc1sc(NC(=O)COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)c1C 744639954 KQQQMHGJHLTXNO-UHFFFAOYSA-N 434.517 4.323 5 20 IIBD CCOc1ccccc1NC(=O)[C@H](C)OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 747958641 QQKRBIUTPKHARF-ZDUSSCGKSA-N 441.465 4.301 5 20 IIBD COc1cc(OC)cc(N2CC[C@H](Sc3nc4ccc([N+](=O)[O-])cc4s3)C2=O)c1 748614869 LAMDOWKOBLXVAF-INIZCTEOSA-N 431.495 4.119 5 20 IIBD O=C(OCCn1cnc([N+](=O)[O-])n1)c1oc2ccccc2c1CSc1ccc(F)cc1 749078584 ATBYBHLKJQTPFH-UHFFFAOYSA-N 442.428 4.221 5 20 IIBD O=C(NCCc1ccccc1Br)c1cc([N+](=O)[O-])ccc1Br 751112948 RBRWVKSGMRMIJQ-UHFFFAOYSA-N 428.080 4.092 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)cc1[N+](=O)[O-] 752246626 GITUXYBYGUQGKV-MRXNPFEDSA-N 449.287 4.111 5 20 IIBD Cc1cc(F)cc(C(=O)OCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c1[N+](=O)[O-] 752554624 OHPDAEJGXMESJD-UHFFFAOYSA-N 444.415 4.269 5 20 IIBD C/C(=C\C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1OC(F)F 753532633 JQPFFMIKCWSMCF-DHZHZOJOSA-N 440.786 4.435 5 20 IIBD C[C@@H]1C[C@@H](N(C)C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCN1Cc1ccccc1 757264564 ZWGBYAKIWMYUAZ-APWZRJJASA-N 430.936 4.443 5 20 IIBD COCCC(=O)COC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 761940904 QWMFCLHMNBWNFG-UHFFFAOYSA-N 432.479 4.118 5 20 IIBD CC(C)[C@@H](NC(=O)OC(C)(C)C)c1noc(-c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)n1 762027464 RISYKDOSUHSSFM-MRXNPFEDSA-N 428.449 4.052 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C 762450302 SRTIKUFWBCSOBQ-UHFFFAOYSA-N 433.442 4.027 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC[C@H](Cc2ccc(C(C)C)cc2)C1 764449661 FTQVLPJHXMFICE-GOSISDBHSA-N 440.496 4.009 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCCCC[C@@H]1C[C@H](O)c1ccccc1 765173301 GJZMOAYMQAJVQS-XXBNENTESA-N 434.496 4.289 5 20 IIBD O=[N+]([O-])c1ccc(-c2cnn(CN3CCO[C@@H](c4ccc(OC(F)F)cc4)C3)c2)cc1 765732422 RTJSFHMOIMLICA-HXUWFJFHSA-N 430.411 4.091 5 20 IIBD CCOc1cc(CS(=O)(=O)Cc2c(C)nn(-c3ccccc3)c2Cl)ccc1[N+](=O)[O-] 766053196 ZQQQZHKJQPNXMQ-UHFFFAOYSA-N 449.916 4.256 5 20 IIBD Cn1ccnc1[C@@H](NC[C@H](O)c1ccc(-c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 768534803 PBHIHQREQGIBQZ-ZEQRLZLVSA-N 428.492 4.408 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(OCc2ccccc2F)CC1 768800327 YODGXTJWUPPGCI-CQSZACIVSA-N 435.883 4.396 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(Cc3ccc(Br)c([N+](=O)[O-])c3)CC2)cc1 769482398 ACKYQUIIXYBEIZ-UHFFFAOYSA-N 436.262 4.309 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)cccc1[N+](=O)[O-] 770141631 MLTMNZCCTCNLRZ-OAHLLOKOSA-N 447.447 4.084 5 20 IIBD CN(C)C1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)cc2)CC1 774843960 ZQNFDYSDZWZFCA-UHFFFAOYSA-N 436.434 4.396 5 20 IIBD C[C@H](N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 776013742 ZBYQRJSBSCRKFR-FKIZINRSSA-N 431.876 4.087 5 20 IIBD COc1cccc([C@H]2[C@@H](C(=O)OCc3ccc(Cl)cc3[N+](=O)[O-])CC(=O)N2C2CC2)c1 776456009 NVNUGRQBRRPWLC-RXVVDRJESA-N 444.871 4.052 5 20 IIBD CC(C)(COC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)S(C)(=O)=O 776571958 ANXYAYNYFUZESI-UHFFFAOYSA-N 427.862 4.021 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccsc2)c2ccccc2)cc1[N+](=O)[O-] 777620994 NBHIMFOINONIRF-UHFFFAOYSA-N 447.494 4.230 5 20 IIBD CC[C@H]1CN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC[C@H]1NC(=O)OC(C)(C)C 777957210 DQGGRIAAHSZLHZ-OXJNMPFZSA-N 429.521 4.041 5 20 IIBD COc1cc(CN(C)Cc2ccn(-c3ccccc3)n2)c([N+](=O)[O-])cc1OCC(F)F 779000431 WDOHMJGKRQXOAU-UHFFFAOYSA-N 432.427 4.065 5 20 IIBD O=C(Nc1cc(F)c(N2CCCCC2)c(F)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 779129650 NAJAPNNMZUJLTR-UHFFFAOYSA-N 427.411 4.301 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)C1(CC)CCN(C(=O)c2ccccc2)CC1 781320310 AWMZWAQYKGMTSG-UHFFFAOYSA-N 440.496 4.369 5 20 IIBD C[C@H](OC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)c1nc2ccccc2n1C(F)F 781571769 LHIAJYYGWVYHDR-GTNSWQLSSA-N 430.367 4.137 5 20 IIBD CCc1cc2c(C)cc(=O)oc2cc1OC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781575146 LFUGOUQHQQTQAF-UHFFFAOYSA-N 426.381 4.018 5 20 IIBD CC1CCC(N(C(=O)COC(=O)c2cccc([N+](=O)[O-])c2Br)C2CC2)CC1 781676408 RKAJBAULQWYGKY-UHFFFAOYSA-N 439.306 4.084 5 20 IIBD CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 782429301 ROAKCOBXJSVMDR-UHFFFAOYSA-N 436.795 4.313 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 783839213 NGDKSERMUZWCDN-QZTJIDSGSA-N 449.551 4.107 5 20 IIBD CCOc1ccc(Br)cc1CN(C(=O)c1cc([N+](=O)[O-])ccc1N)C1CC1 786896503 JREYRDAHDQSPFV-UHFFFAOYSA-N 434.290 4.143 5 20 IIBD COc1ccc(F)c(C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1OC 788424624 ZTXFKZGTIKLNBW-UHFFFAOYSA-N 440.383 4.223 5 20 IIBD CCS(=O)(=O)c1ccc2oc(COc3cc(Cl)c(Cl)cc3[N+](=O)[O-])nc2c1 794499469 YSVQYYBCEGGDJS-UHFFFAOYSA-N 431.253 4.415 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)O[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl 795710843 HQAVNZKCAUYIRI-SNVBAGLBSA-N 427.240 4.484 5 20 IIBD Cc1cccc(OC(F)F)c1NC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] 795930311 BPEBNJUKBFOOPQ-UHFFFAOYSA-N 444.232 4.342 5 20 IIBD COc1ccccc1O[C@H]1CCCN(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 803605147 JJWTVAKSZRKUAS-AWEZNQCLSA-N 435.274 4.050 5 20 IIBD COc1ccccc1O[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 804715101 BWIYNXQJOZJIRA-LJQANCHMSA-N 439.512 4.277 5 20 IIBD O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 807789713 ISBGPNGKZYAHBL-HXUWFJFHSA-N 426.394 4.164 5 20 IIBD COc1cccc(C2(CNC(=O)c3cc(Br)cc([N+](=O)[O-])c3Cl)CC2)c1 811586028 VZYGOBNEJWIFSF-UHFFFAOYSA-N 439.693 4.481 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](c2ccc(F)cc2)C[C@H]1C 812116309 CPXUQTYOSRDWQD-QAPCUYQASA-N 425.464 4.021 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc(CCC(C)(C)[N+](=O)[O-])no3)cc2)cc1C 812814068 QWVYIMOJXXLATR-UHFFFAOYSA-N 444.513 4.142 5 20 IIBD CC1(C)CN(C(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2O)[C@H]1c1cccs1 813786812 RLXPVVKZUVDMQS-KRWDZBQOSA-N 432.889 4.424 5 20 IIBD COCCOC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c1 815108211 YXHAGWKVYRGYTM-UHFFFAOYSA-N 427.335 4.061 5 20 IIBD O=C(OCCc1ccc([N+](=O)[O-])cc1)C1CCN(c2noc3ccc(Cl)cc23)CC1 815371858 NOCLJYHRZJTBBE-UHFFFAOYSA-N 429.860 4.392 5 20 IIBD O=[N+]([O-])c1cc(I)cc(-c2nc(-c3ccc(F)cc3F)no2)c1 904801715 HRXXCMLNLVSWKJ-UHFFFAOYSA-N 429.120 4.195 5 20 IIBD C[C@H](OC(=O)c1csc(Br)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 913370470 ZUFQEQHQVRKPLK-ZETCQYMHSA-N 433.667 4.256 5 20 IIBD CC(C)c1c(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])cnn1-c1ccc(Cl)cc1 913379113 XSNRNQZUHRAPPG-UHFFFAOYSA-N 442.859 4.353 5 20 IIBD COc1ccc(CSCC(=O)Oc2ccc(N(C)C(=O)C(C)(C)C)cc2)cc1[N+](=O)[O-] 914712746 UHTNPIDGQQGJHZ-UHFFFAOYSA-N 446.525 4.451 5 20 IIBD O=C(CCOc1cccc([N+](=O)[O-])c1)OCc1nc(-c2cccc(C(F)(F)F)c2)no1 915451181 UNBKCIQQNZROBK-UHFFFAOYSA-N 437.330 4.176 5 20 IIBD CN(C(=O)c1ccc(-c2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 916991347 URBJHZRSDZDQAS-UHFFFAOYSA-N 430.869 4.376 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cc2[N+](=O)[O-])n1 917362190 AUHSOJWOVKZLOE-UHFFFAOYSA-N 432.439 4.377 5 20 IIBD Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 917742318 DADJPPQCKPTSDM-HOTGVXAUSA-N 449.511 4.010 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 919225398 ZUTDIODZJULVFD-ZDUSSCGKSA-N 429.429 4.293 5 20 IIBD CN(C(=O)c1nc(C2CC2)n(-c2ccccc2)n1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 1319806529 WELVTYBAJILYSH-UHFFFAOYSA-N 446.492 4.453 5 20 IIBD O=C1CNC(=O)N1Cc1ccc(NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1 1320138490 LPHSIYDXTWVAEN-UHFFFAOYSA-N 440.843 4.172 5 20 IIBD CC(C)(C)OC(=O)N[C@H](c1ccccc1)c1noc(COc2cccc([N+](=O)[O-])c2)n1 1328266936 XYLZWDHLYGYXAP-GOSISDBHSA-N 426.429 4.171 5 20 IIBD COc1cc(CN2CCC[C@@H]2CNc2cccc(C)n2)c([N+](=O)[O-])cc1OCC(F)F 1337451546 JSRWLABPKPESLX-MRXNPFEDSA-N 436.459 4.027 5 20 IIBD CC(C)CC(=O)Nc1ccc(C2(NC(=O)Cc3cc(F)ccc3[N+](=O)[O-])CCC2)cc1 1787664644 FCMAFAKORYSDDW-UHFFFAOYSA-N 427.476 4.457 5 20 IIBD CO[C@H](C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1)c1ccccc1 1787852854 QCVDVKOFFHWLQG-NRFANRHFSA-N 448.479 4.058 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3n[nH]cc3[N+](=O)[O-])CCC2)cc1)c1ccccc1Cl 1790224720 COZQFHIXEYRNTO-UHFFFAOYSA-N 439.859 4.033 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)NC1(c2ccc(NC(=O)[C@H]3C[C@@]3(F)Cl)cc2)CCC1 1791670716 PDQOCSVVMSJXQY-GCJKJVERSA-N 445.878 4.196 5 20 IIBD Cc1cscc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(Cl)cc1[N+](=O)[O-] 1793078883 NWZQOSOYXITFIC-BJWYYQGGSA-N 447.944 4.113 5 20 IIBD Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)C3)c(C)o1 1795063373 JGSPPELRGFBFEI-BJWYYQGGSA-N 445.903 4.332 5 20 IIBD O=C(c1cccc(F)c1[N+](=O)[O-])N1CCC2(CCCN(C(=O)c3sccc3F)C2)CC1 1806318237 OGWADSTXGRRADJ-UHFFFAOYSA-N 449.479 4.093 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc3ccoc3c2)[nH]n1)c1ccc([N+](=O)[O-])o1 1814311220 AYXSAFFEQYUSDQ-MRXNPFEDSA-N 449.423 4.277 5 20 IIBD CC/C=C(\C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)[nH]n1 1823096751 CREQHLHFGCWDAT-LGWVBRRBSA-N 429.452 4.119 5 20 IIBD CC(C)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1823681696 SWAMLSYSXOEGBO-JOCHJYFZSA-N 429.561 4.193 5 20 IIBD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2)CC1 1830028306 XTRGNSYXVHUPAC-IBGZPJMESA-N 444.919 4.123 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CC=CCC2)CC1 1830276565 APTQQHDDGANNOI-GMAHTHKFSA-N 439.556 4.113 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1F)N1CC2(CCCN2C(=O)/C=C/c2cc3ccccc3o2)C1 1843835747 QVIZIDUWUCJPOX-VQHVLOKHSA-N 449.438 4.011 5 20 IIBD COc1cc(C(=O)N2CCCC23CN(C(=O)CCCCCC(C)(C)C)C3)ccc1[N+](=O)[O-] 1846873775 JCIOCZLFFUXNNK-UHFFFAOYSA-N 445.560 4.417 5 20 IIBD COc1cccc(Nc2nnc(S[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])s2)c1 10267569 BEVOHIZDIVOGTM-NSHDSACASA-N 431.499 4.318 5 20 IIBD C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)COc1ccccc1[N+](=O)[O-])OCCO3 10367590 IOKUEJVXFAKYNG-INIZCTEOSA-N 438.480 4.160 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])NCc1cn(Cc2ccccc2)nc1-c1ccccc1 11339578 KXGJYQRLUFQRKY-UHFFFAOYSA-N 442.475 4.202 5 20 IIBD COc1cc(C(=O)Nc2ccccc2OCC(F)(F)F)c([N+](=O)[O-])cc1OC(F)F 14554068 GVTJAQOCHHIGKM-UHFFFAOYSA-N 436.289 4.398 5 20 IIBD Cc1ccc(NC(=O)CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)c(Br)c1 16312787 PLKWKJPWGHSPRK-UHFFFAOYSA-N 426.698 4.390 5 20 IIBD C[C@H](OC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 18026429 LAIBVBFHBIHQSH-LBPRGKRZSA-N 447.419 4.265 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)N(C)Cc2nc3ccccc3s2)c1 28401262 SEYPMGKPQYERRT-GFCCVEGCSA-N 445.522 4.130 5 20 IIBD O=C(c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)N1CCc2cc([N+](=O)[O-])ccc21 58566156 XTJCHZULUCEQOG-UHFFFAOYSA-N 435.440 4.246 5 20 IIBD CS(=O)(=O)c1cc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)cc([N+](=O)[O-])c1 109029982 FUCXAQCUCSJTDT-UHFFFAOYSA-N 447.856 4.091 5 20 IIBD CC(C)(NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(Cl)c(Cl)c1 109579753 FCBZALOGWPBTLB-UHFFFAOYSA-N 438.311 4.403 5 20 IIBD COc1ccc(NC(=O)c2ccc(Br)cc2Br)cc1[N+](=O)[O-] 318816096 DGNWYXGULRZUNT-UHFFFAOYSA-N 430.052 4.381 5 20 IIBD CCCN([C@H](C)CC(=O)Nc1ccccc1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 409895735 LUPPNQDSISJZJY-CQSZACIVSA-N 439.921 4.066 5 20 IIBD CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1 410047556 RBFISIXGRHCSJR-UHFFFAOYSA-N 425.272 4.072 5 20 IIBD Cc1noc(C)c1CCNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 410290587 DXFKDZVGJPGCIF-UHFFFAOYSA-N 428.876 4.438 5 20 IIBD CC(C)(C)c1ccc(C(C)(C)CNC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 425917782 GXZGBMWCUFMSBK-UHFFFAOYSA-N 427.549 4.413 5 20 IIBD COc1ccccc1[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccco1 426970367 DOGALAQFSXYMSW-SFHVURJKSA-N 431.242 4.478 5 20 IIBD CCOC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])cc2OC)nc1-c1ccccc1 427104304 MXFUEMMGFNQGGZ-UHFFFAOYSA-N 427.438 4.156 5 20 IIBD C[C@H]1CCN(C(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)CC1(F)F 427576683 FSOPFURKJATPLM-AWEZNQCLSA-N 431.439 4.009 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)c1 430032874 IEYYHCZOTKBCQG-MRXNPFEDSA-N 429.267 4.022 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CN1CCC(C(=O)Nc2ccccc2Br)CC1 430203300 DWDFAXPKYPTFRA-UHFFFAOYSA-N 448.317 4.217 5 20 IIBD CCOc1ccccc1N1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 435817034 GZZRBZYPOPRULP-UHFFFAOYSA-N 427.504 4.042 5 20 IIBD Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 435822788 UWHZJHKAGNTPEI-UHFFFAOYSA-N 449.457 4.287 5 20 IIBD CCN(CC)[C@@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)Cc1ccccc1 436105178 WUNKTOBZCNMURX-OAQYLSRUSA-N 427.548 4.364 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(Br)ccc1C 438995593 DBJLQBDEBDAGOG-UHFFFAOYSA-N 439.331 4.334 5 20 IIBD O=C(NCc1cccc(N2CCC2=O)c1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 441602354 MGIKCEBJAMIZQL-UHFFFAOYSA-N 433.489 4.413 5 20 IIBD COc1cc(NC2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC2)cc(OC)c1 443783782 BUDIOVKHULCFEP-UHFFFAOYSA-N 425.441 4.075 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CCc3cccc([N+](=O)[O-])c3)cc2)cc1 445652665 MMHPDJYGARYTMN-UHFFFAOYSA-N 439.493 4.275 5 20 IIBD CCN(Cc1ccc(-c2nc(Cc3cc(OC)cc(OC)c3[N+](=O)[O-])no2)cc1)C1CC1 445815538 LPXGWKISDDVRCK-UHFFFAOYSA-N 438.484 4.237 5 20 IIBD CC(=O)Nc1ccc(Cl)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1 446000506 DWEQLWBXGTZQSG-UHFFFAOYSA-N 426.654 4.150 5 20 IIBD C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br 446046380 TUGGPNBHNBFZMF-MRXNPFEDSA-N 446.345 4.023 5 20 IIBD O=[N+]([O-])c1ccc2nc(N3CCCN(Cc4ccccc4OCC(F)(F)F)CC3)[nH]c2c1 460348083 OGZYVEFMPBNIMN-UHFFFAOYSA-N 449.433 4.125 5 20 IIBD C[C@@H]1[C@@H](C(F)(F)F)CCCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCO1 461179877 NRFRZPRQEOMGTH-XYPHTWIQSA-N 439.438 4.200 5 20 IIBD Cc1ccc(-c2nnc(N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2C[C@@H]2CCOC2)o1 461564123 GLMVELPOQDUBGG-SFHVURJKSA-N 425.489 4.206 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(N3C[C@H]4CC[C@H]3c3ccccc34)n2C[C@@H]2CCOC2)cc1 461574110 HRQOJMCLGKQVIT-CECAUBDESA-N 431.496 4.329 5 20 IIBD O=[N+]([O-])c1ccc(N2CCc3c(ncn3-c3ccc(F)cc3)C2)nc1OCc1ccccc1 462710687 XWGSKXPJXGRVGT-UHFFFAOYSA-N 445.454 4.456 5 20 IIBD CC[C@@H](Nc1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-])c1ccncc1 462863750 RMOGZSFMCFTIQT-GXOAENINSA-N 432.546 4.410 5 20 IIBD Cc1nc(-c2ccc([C@H](C)NC(=O)C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)cc2)cs1 464022953 ROYDNSUDNVIQQU-AWEZNQCLSA-N 438.509 4.459 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C[C@@H]1C[C@H]2C=C[C@H]1C2)C1CCN(C)CC1 464688250 IEZBOKFJWLQAGF-XWSJACJDSA-N 429.586 4.210 5 20 IIBD C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464771269 CPMFNKSZAYIHEU-CQSZACIVSA-N 437.418 4.484 5 20 IIBD CCC[C@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 467272285 AMHBBERUHWWMDP-INIZCTEOSA-N 431.514 4.048 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)[C@@H](Nc1cnc(N3CCOCC3)c(Br)c1)CCC2 467432298 JMVQTMFJZGZTFU-SFHVURJKSA-N 433.306 4.078 5 20 IIBD COc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(I)c1 468116697 HIUDOPJQXKAIPK-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD COC(=O)COc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c2ccccc12 468221094 LLFSLYJHPHWWIP-UHFFFAOYSA-N 428.828 4.134 5 20 IIBD CCC[C@@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccc(F)cc1F 468378519 VUBMLXLPQPCGIR-MRXNPFEDSA-N 447.467 4.424 5 20 IIBD CC(C)(Cc1ccc(Cl)cc1Cl)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 471572350 HGOJWYUJGAPPBL-UHFFFAOYSA-N 434.283 4.233 5 20 IIBD COC[C@@H](Cc1ccccc1)NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 471598982 ZSOZYNPPRAKMHN-OAHLLOKOSA-N 428.432 4.080 5 20 IIBD COc1cc(C(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)cc([N+](=O)[O-])c1C 478692941 BQUPEQYUTFVELL-UHFFFAOYSA-N 437.427 4.233 5 20 IIBD COc1cc(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)[C@H]2C)cc([N+](=O)[O-])c1C 478840553 SOOGUIHSRODXTN-BFUOFWGJSA-N 449.301 4.277 5 20 IIBD CC(C)n1cc2c(n1)C[C@@H](NC(=O)c1ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c1)CC2 481891363 JSNKTUFGEZMNSX-LPHOPBHVSA-N 448.527 4.228 5 20 IIBD O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 481950310 CRYXBKVGSNUJLG-QHCPKHFHSA-N 438.447 4.176 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2ccccc2Br)cc1SC 485147575 STYOAWGUNSXODD-UHFFFAOYSA-N 425.304 4.360 5 20 IIBD Cn1c([C@H]2CCCN2C(=O)c2sc(Br)cc2[N+](=O)[O-])nc2ccccc21 486176608 IESBSKBFUWNQGV-GFCCVEGCSA-N 435.303 4.283 5 20 IIBD COC(=O)c1cc(NC(=O)N2CC=C(c3c(F)cccc3F)CC2)c(C)c([N+](=O)[O-])c1 486870978 SPIXIOUFKHMJEC-UHFFFAOYSA-N 431.395 4.289 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 488576022 BPVJTMXMZJSVKS-UHFFFAOYSA-N 439.419 4.195 5 20 IIBD C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1cc2c(cc1Br)OCCO2 489803303 HQNVQCWNSWILDI-JTQLQIEISA-N 446.257 4.101 5 20 IIBD CCN(CC)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C1 491025438 CSGJHMQWMVRENR-SFHVURJKSA-N 430.936 4.417 5 20 IIBD Cc1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1S(=O)(=O)C1CCCC1 491343591 PHYVBMBVAGWVRU-UHFFFAOYSA-N 427.482 4.353 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Nc2cccc(CSC3CCOCC3)c2)cc1[N+](=O)[O-] 491665324 KTOIASVAVOBRLM-UHFFFAOYSA-N 436.555 4.425 5 20 IIBD COCC(=O)N1CCc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3SCC(C)C)ccc21 493999797 MESXBDHVNMMTRN-UHFFFAOYSA-N 443.525 4.131 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 494102935 FBFHMZXEUAHAFO-CYFREDJKSA-N 434.540 4.296 5 20 IIBD Cn1ccnc1Sc1ccc(F)cc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 497801153 NHCFBCFHOLHGBA-UHFFFAOYSA-N 438.387 4.472 5 20 IIBD O=C(NCc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc([N+](=O)[O-])ccc1SCCO 497867800 FZBCUCRNAVMKJL-UHFFFAOYSA-N 448.504 4.153 5 20 IIBD COC(=O)CCN(C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C(C)C 497990573 HRADLQMXEMWUGB-UHFFFAOYSA-N 433.892 4.274 5 20 IIBD CC(C)N(Cc1ccc(-c2ccc(F)cc2)s1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O 499780392 WFYACMZBBRAOKW-UHFFFAOYSA-N 429.473 4.061 5 20 IIBD O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 502050771 RXUUMFMITQPJQQ-INIZCTEOSA-N 440.374 4.346 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccc(COC2CCOCC2)cc1 502068756 OMYUTCZWNPAEPB-HNNXBMFYSA-N 448.903 4.028 5 20 IIBD C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 503568996 MAOGLBAVEMXOLA-LBPRGKRZSA-N 435.406 4.263 5 20 IIBD O=[N+]([O-])c1ccc(-c2cnn(Cc3nnc(-c4ccccc4Br)o3)c2)cc1 505570885 QUFYQZILVJKQJF-UHFFFAOYSA-N 426.230 4.319 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N(C)Cc2nccn2C(F)F)cc1[N+](=O)[O-])c1ccccn1 506173686 ISLFKIVDNMOVTK-CYBMUJFWSA-N 430.415 4.027 5 20 IIBD COc1cc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)ccc1N1CCCC1=O 509695480 XZKJKRIRTHEKBS-UHFFFAOYSA-N 448.273 4.053 5 20 IIBD C[C@@H](NC(=O)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1)c1cccc([N+](=O)[O-])c1 510497115 TZQFPTWRGBEQBD-QGZVFWFLSA-N 449.511 4.275 5 20 IIBD CCc1nocc1CN(C)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 512130761 BBASYMHJUQIWNU-UHFFFAOYSA-N 445.479 4.199 5 20 IIBD C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 512538567 IWLGRDBHHAVHEU-HZPDHXFCSA-N 427.526 4.444 5 20 IIBD Cc1c(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cnn1-c1cccc(C(F)(F)F)c1 512934803 WXJCEUJKRKAQPC-UHFFFAOYSA-N 432.402 4.422 5 20 IIBD COc1ccccc1-c1nnc(Sc2c([N+](=O)[O-])ncn2C)n1-c1ccc(Cl)cc1 515164689 PXOGFODIWZGYLT-UHFFFAOYSA-N 442.888 4.389 5 20 IIBD Cc1cc(CNC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)n(C)n1 515317291 PELSABUEBJIKFE-UHFFFAOYSA-N 439.522 4.328 5 20 IIBD O=C(Nc1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1)NC1CC1 515681279 GQURLDMKJDKLOX-UHFFFAOYSA-N 438.362 4.072 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCCCN2CCCC[C@@H]2C)cc1[N+](=O)[O-])c1ccccn1 516382188 HEEXJFPBNWDNIF-ROUUACIJSA-N 425.533 4.157 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)[C@H](C)N1CCOCC1 517838027 AJDALAIYSWNDAH-GJZGRUSLSA-N 449.960 4.238 5 20 IIBD CN(Cc1cccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])c1)Cc1cscn1 518364369 KFAZTHDSYPFKQO-UHFFFAOYSA-N 425.514 4.124 5 20 IIBD CC(C)(C)c1ccc([C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)cc1 518607282 LUPGDYUEDPSDMN-HXUWFJFHSA-N 430.526 4.273 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1N1CCC(n2cc(Br)cn2)CC1 518845731 NNQQMHQAQVJUJA-UHFFFAOYSA-N 430.100 4.158 5 20 IIBD COCCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)[C@@H](C)c1cccc(C(F)(F)F)c1 520152209 LAKVHPYBZMSHCR-LBPRGKRZSA-N 436.390 4.340 5 20 IIBD Cc1cc(=O)c(C(=O)NCC2CCC(c3ccccc3)CC2)nn1-c1ccccc1[N+](=O)[O-] 521714039 YQEIBCGXFXDMEN-UHFFFAOYSA-N 446.507 4.153 5 20 IIBD O=C([C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N(Cc1ccccc1)CC1CCC1 521954239 HNZYQTNUCWEFGD-GOSISDBHSA-N 427.526 4.090 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)ccc1[N+](=O)[O-] 523284601 VDEVUPXBUADORY-JTSKRJEESA-N 439.512 4.172 5 20 IIBD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)c3ccc(SC)c([N+](=O)[O-])c3)ccc21 523326196 WDMOKAVDFINGAJ-UHFFFAOYSA-N 440.525 4.392 5 20 IIBD Cc1ccc(NCCCNC(=O)N(C)C2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 524805806 MPLVGSKSSNDDCC-UHFFFAOYSA-N 439.560 4.011 5 20 IIBD CC(C)CNC(=O)N1CCC[C@@H](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 525432713 FGTBHBMOFQMHGJ-HNNXBMFYSA-N 445.545 4.125 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1CCC(n2ccnc2)CC1 530711320 SHUMXFGXOCPVLD-NRFANRHFSA-N 439.903 4.462 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1cc(Br)cs1 531262789 MTTXENMJZKUAQR-UHFFFAOYSA-N 434.109 4.040 5 20 IIBD O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CCC[C@H]1c1cccs1 534290570 QAHQHNWJMZQEGO-ZDUSSCGKSA-N 428.251 4.238 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2nc3ccccc3s2)CC1 535404619 YMXMIAPCWWSZAM-ZDUSSCGKSA-N 445.932 4.007 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNc3cccc(N4CCS(=O)(=O)CC4)c3)s2)cc1 536100962 GNDJYGOTGDOECA-UHFFFAOYSA-N 443.550 4.170 5 20 IIBD COc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])s2)cc1 536499029 WDHPBDIZGROMGO-SNVBAGLBSA-N 434.861 4.181 5 20 IIBD O=C(NCCCNc1ncnc2ccc([N+](=O)[O-])cc12)[C@H]1C[C@@H]1c1c(F)cccc1Cl 537018799 UBYXFXILOKAFJO-KBPBESRZSA-N 443.866 4.052 5 20 IIBD CC(C)[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc(C(F)(F)F)c1 537059054 LVEIVJZELSANBY-IBGZPJMESA-N 439.390 4.268 5 20 IIBD C[C@H]1CN(Cc2ccccc2NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 537736714 YUFYQRKAJMJDDJ-ROUUACIJSA-N 435.528 4.217 5 20 IIBD COc1ccc(CNC(=O)CN[C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1 538269400 XHVUTDJXASORSB-HNNXBMFYSA-N 425.510 4.299 5 20 IIBD CCOC(=O)c1cnc(/C=C\c2csc(-c3cccc([N+](=O)[O-])c3)n2)c(C(=O)O)c1 539230740 CAGBPBSUHMQVKV-SREVYHEPSA-N 425.422 4.159 5 20 IIBD CC(C)[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 542257456 OCWGRSRRFCBVMP-GOSISDBHSA-N 430.448 4.374 5 20 IIBD CN(C(=O)COc1ccc([N+](=O)[O-])c2cccnc12)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 542681964 DDQKAVSPSOHFGE-DYESRHJHSA-N 439.443 4.040 5 20 IIBD CC(=O)NCCc1noc(C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)n1 545738250 NOHMRYPUZLLIFB-VBKFSLOCSA-N 449.492 4.049 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3coc(-c4ccc(Br)cc4F)n3)n2)nc1 545781345 QGJYYQBIKKABTQ-UHFFFAOYSA-N 446.192 4.187 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(-c2nc(-c3ccc(Cn4cccn4)cc3)no2)c1 547029449 NSZFBIKXXGMGQF-UHFFFAOYSA-N 426.230 4.319 5 20 IIBD Cc1ccn(-c2ccc(NC(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)cc2)n1 551695503 YXUDMRZJCOICCZ-UHFFFAOYSA-N 430.468 4.203 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 553775914 CLVYHYNDRLUDHC-GOEBONIOSA-N 441.534 4.359 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)c1 558870700 UNLMWZGUUPJMBJ-CQSZACIVSA-N 448.317 4.012 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccccc1OC(F)F 561329568 DGSTVIGOXDBIOZ-UHFFFAOYSA-N 434.321 4.449 5 20 IIBD C[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(Br)cc1F 562177881 RAWZNGZGNVYAOZ-NSHDSACASA-N 433.237 4.173 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(NC(=O)CCN3CCCCC3)c2)c1 567181943 QRHXZCOGYFDKBX-UHFFFAOYSA-N 440.500 4.060 5 20 IIBD COc1cc(Cc2noc(COc3c(Cl)cccc3Cl)n2)c([N+](=O)[O-])c(OC)c1 570784947 OTWLOQSQBIFSIJ-UHFFFAOYSA-N 440.239 4.472 5 20 IIBD COCc1cccc2sc(NC(=O)NCCc3c[nH]c4ccc([N+](=O)[O-])cc34)nc12 576309899 KUVCFAGKSUGIKC-UHFFFAOYSA-N 425.470 4.196 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(OC)c(Cc2ccccc2)c1 577788160 VXDIOSWBNTWTHY-UHFFFAOYSA-N 433.464 4.334 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCOc2c(-c3ccccc3)cccc21 579414944 ZQYHDJXBHMYZTN-NRFANRHFSA-N 445.475 4.403 5 20 IIBD O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 580592272 MIZCAEZXOCXVQK-DEOSSOPVSA-N 444.535 4.226 5 20 IIBD O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 580592273 MIZCAEZXOCXVQK-XMMPIXPASA-N 444.535 4.226 5 20 IIBD CC(C)NC(=O)Nc1cccc(-c2noc(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)c1 581460504 SAEVJUQQPRMSLL-UHFFFAOYSA-N 436.472 4.442 5 20 IIBD C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(Oc2cccnc2)cc1 581906297 QXYARPOCEHDQFH-ZDUSSCGKSA-N 433.873 4.475 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 583902039 GSMMIMYVOKUZQP-KRWDZBQOSA-N 436.468 4.330 5 20 IIBD CC1(C)CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@H]1c1cccs1 588146330 MAWXMOFDJFQEFD-AWEZNQCLSA-N 431.333 4.191 5 20 IIBD COc1cc(Cl)c(Br)cc1-c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 589138035 USWIYIUOVIAAMZ-UHFFFAOYSA-N 425.626 4.055 5 20 IIBD CCOc1cc(NC(=O)N(C)CC(=O)Nc2c(C)cccc2C)c([N+](=O)[O-])cc1OCC 603651602 UWDSKBUMYGBNRY-UHFFFAOYSA-N 444.488 4.111 5 20 IIBD Cc1ccc(C(=O)N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)CC2)cc1 603742717 DDCVLOIVYMTLTA-UHFFFAOYSA-N 445.475 4.294 5 20 IIBD CC(C)Oc1ccccc1[C@@H](C)NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 603773654 BGHBEBORGSIKIT-CQSZACIVSA-N 441.513 4.153 5 20 IIBD CN(Cc1cccc(O)c1)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 604179874 WTYAVMQEQMJQFE-UHFFFAOYSA-N 437.418 4.194 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 604447152 PZMWPYRNHKQHCE-MPBGBICISA-N 432.860 4.054 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 608877545 KHPXFNBVZBBAJP-BTYIYWSLSA-N 437.883 4.272 5 20 IIBD COc1cc(CCNC(=O)Nc2cccc(Br)c2C)c([N+](=O)[O-])cc1OC 608893131 KLRQAORYNQELCV-UHFFFAOYSA-N 438.278 4.047 5 20 IIBD O=C(Nc1ccc(Cn2cnc3ccccc32)cc1)c1cc([N+](=O)[O-])cc2c1OCCO2 608941573 QFQZMHYGRVPPDY-UHFFFAOYSA-N 430.420 4.016 5 20 IIBD CCOc1cc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCC 609151698 QICWTSBXQWJGNV-UHFFFAOYSA-N 440.456 4.229 5 20 IIBD Cc1ccc(Oc2ccccc2CNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 609299061 OERSDSWEOABMGQ-UHFFFAOYSA-N 433.464 4.132 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1cc(F)ccc1OC[C@H]1CCCO1 609723849 GRBKDESZRGHZPN-OAHLLOKOSA-N 438.839 4.353 5 20 IIBD CC(C)C(=O)N1CCCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 609774167 WSIYCMVRQJWJIR-UHFFFAOYSA-N 426.473 4.109 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 609784714 SAIGUHINZHGHGP-UHFFFAOYSA-N 441.846 4.499 5 20 IIBD COC(=O)c1ccc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cc1 609852640 FGGJZGWJABWTEP-UHFFFAOYSA-N 435.223 4.126 5 20 IIBD COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 609977921 FCOAKOLXVSZHOE-IBGZPJMESA-N 447.919 4.280 5 20 IIBD CCOc1cc(CN2CC[C@H](c3ccco3)C2)ccc1OCCn1c([N+](=O)[O-])cnc1C 611271327 RDIWCJWNUNXZNS-IBGZPJMESA-N 440.500 4.160 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@@H](Cn2cnc3ccccc32)C1 619544429 JTPBHFNZQDEEKO-CQSZACIVSA-N 443.301 4.259 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(N(C)CCCc2cc(-c3ccccc3)no2)c1[N+](=O)[O-] 725790657 VTIIAWRVQAUQBD-UHFFFAOYSA-N 426.429 4.028 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1csc(-c2ccccc2C)n1 727562595 YTOWTBURTAMBBT-ZDUSSCGKSA-N 441.465 4.219 5 20 IIBD O=[N+]([O-])c1cc(NS(=O)(=O)c2cc(Br)ccc2Cl)ccc1Cl 727671101 OTPRARFZTQTNLV-UHFFFAOYSA-N 426.075 4.465 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)c1nc(NCc2ccco2)ncc1Cl 729117671 JGJFOUOWDIJVNY-UHFFFAOYSA-N 446.847 4.388 5 20 IIBD CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)ccc21 729410279 NVTBEWWUNJHEQG-UHFFFAOYSA-N 441.440 4.264 5 20 IIBD NC(=O)c1ccc(COC(=O)[C@@H](Sc2ccccc2F)c2ccccc2)c([N+](=O)[O-])c1 730332391 CNPOBBSBEZNQFV-FQEVSTJZSA-N 440.452 4.410 5 20 IIBD O=C(O[C@H](c1ccc(Cl)cc1)c1cccnc1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 731551686 BMSJJZOLKOKPRY-HXUWFJFHSA-N 435.827 4.170 5 20 IIBD Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 731630234 MRWYRHJECKASHN-UHFFFAOYSA-N 438.411 4.451 5 20 IIBD Cc1c(C(=O)NC[C@@H](CC(C)C)N[C@@H](C)c2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 732293118 CLTGODQWSJUPBC-FUHWJXTLSA-N 428.489 4.307 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)/C=C\C1CCOCC1 732627757 KXNONZKHIPVUCG-SREVYHEPSA-N 430.482 4.421 5 20 IIBD C[C@@H](CC(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(F)c1 734904726 JBMPTMTVWROIMK-NSHDSACASA-N 428.338 4.428 5 20 IIBD CCO[C@H](C)c1nc(COC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cs1 736765375 VCAWTTARICPLQJ-OAHLLOKOSA-N 444.513 4.367 5 20 IIBD O=C(Oc1ccccc1)N1CCCN(Cn2c(=S)oc3ccc([N+](=O)[O-])cc32)CC1 738146595 XCBMHEATEUKBGW-UHFFFAOYSA-N 428.470 4.036 5 20 IIBD O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C1(c2cccs2)CCCCC1 738702644 MTINLILJGDWHLH-UHFFFAOYSA-N 430.482 4.400 5 20 IIBD CC(C)(C)CNC(=O)c1ccc(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 741568741 SBTRTIFTPDHOFL-UHFFFAOYSA-N 437.452 4.383 5 20 IIBD COc1ccccc1-c1ccc([C@@H](C)NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 742313958 RQFBKXLYPDFVCD-CQSZACIVSA-N 430.457 4.449 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1nc(-c2ccc(OC(F)F)cc2)cs1 745764732 DYJDNFSDMJGSNQ-UHFFFAOYSA-N 439.371 4.476 5 20 IIBD Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3F)cc2)cc1 746968157 MFROXNDOYGBFSE-UHFFFAOYSA-N 443.452 4.373 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 746972402 MXUDMCACXOIUIV-CYBMUJFWSA-N 427.215 4.137 5 20 IIBD CC(C)(C)c1ccc(O)c(NC(=O)c2cc([N+](=O)[O-])ccc2I)c1 747935587 LPICJKMRGYIGHH-UHFFFAOYSA-N 440.237 4.455 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)c(Cl)c2)c(N)c([N+](=O)[O-])c1 749354299 VOHVRKSIPZWPEJ-CYBMUJFWSA-N 430.892 4.406 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)Cn2c(-c3ccc(F)cc3)c(C)sc2=O)cc1[N+](=O)[O-] 752055768 QZZGGGBKYHZJBS-CYBMUJFWSA-N 429.473 4.118 5 20 IIBD O=C(COC(=O)c1c(F)ccc([N+](=O)[O-])c1F)Nc1ccccc1Cc1ccccc1 752565458 KYFOJLKGYMPNAM-UHFFFAOYSA-N 426.375 4.259 5 20 IIBD Cc1c(Br)cc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1[N+](=O)[O-] 753118728 YOEVLXRYPJUMKE-UHFFFAOYSA-N 434.246 4.379 5 20 IIBD O=C(Nc1cccc(-c2ncco2)c1)c1cc([N+](=O)[O-])ccc1I 754218836 VRMNPMZPGXPNLO-UHFFFAOYSA-N 435.177 4.107 5 20 IIBD Cn1ccnc1[C@H](CCc1ccccc1)OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 754735908 PZYMTYGISZYYLQ-NRFANRHFSA-N 431.452 4.045 5 20 IIBD O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1CN(Cc1ccc(C(F)(F)F)cc1)C1CC1 755264081 JWTPTDLUAHJUJS-UHFFFAOYSA-N 434.374 4.052 5 20 IIBD O=C(c1ccc(Br)c([N+](=O)[O-])c1)N(Cc1ccc(F)cc1)C1CCOCC1 756785673 VYGQWEKGROAMJX-UHFFFAOYSA-N 437.265 4.318 5 20 IIBD COc1cc(S(=O)(=O)Nc2nc3ccc(SC(F)F)cc3s2)ccc1[N+](=O)[O-] 759160335 NWBCZCRPWZMPGW-UHFFFAOYSA-N 447.466 4.329 5 20 IIBD Cc1ccc(C(=O)CC(C)(C)CC(=O)OCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 759836906 PTNXQUJWMUGIQB-UHFFFAOYSA-N 426.469 4.099 5 20 IIBD CN1C(=O)N(Cc2cc([N+](=O)[O-])ccc2Cl)C(=O)[C@@H]1c1cccc(Br)c1 762121254 QRXHIVNICWERSB-HNNXBMFYSA-N 438.665 4.146 5 20 IIBD CC(C)(C)c1ccc(C(=O)O[C@@H](C(N)=O)c2cccc(Br)c2)cc1[N+](=O)[O-] 763633078 VORCQIWRDMRSHJ-MRXNPFEDSA-N 435.274 4.038 5 20 IIBD C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c1 764196260 DAMLJZXJARWLJF-CYBMUJFWSA-N 448.882 4.453 5 20 IIBD C[C@@H]1[C@H](C(F)(F)F)OC(=O)N1c1ncccc1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 764308008 WRDPIXDYSIXXGW-AMIZOPFISA-N 444.753 4.172 5 20 IIBD Cc1csc(Sc2ccc(C(=O)OCC(=O)c3oc(C)nc3C)cc2[N+](=O)[O-])n1 767256312 DWSSQILSBYHJGN-UHFFFAOYSA-N 433.467 4.155 5 20 IIBD O=Cc1ccc(OCC(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c([N+](=O)[O-])c1 770081178 UFVXBOUNLKFFKH-UHFFFAOYSA-N 449.444 4.407 5 20 IIBD CN(CCC1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1)C(=O)OC(C)(C)C 770227428 MEEBGZFHYIGGMK-UHFFFAOYSA-N 425.913 4.357 5 20 IIBD O=C(Nc1ccc(F)cc1OC(F)F)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O 774009900 VACNDMYZXRJQPS-UHFFFAOYSA-N 442.737 4.132 5 20 IIBD COc1ccccc1[C@@H](C)NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C 775092437 YFOLZMMQGVYAMA-CQSZACIVSA-N 432.498 4.138 5 20 IIBD CC[C@@H](Cc1ccccc1Br)N(C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 775403766 BFYCJCUYSGOOFR-AWEZNQCLSA-N 436.262 4.359 5 20 IIBD Nc1ncc(Cc2cccc(C(=O)OCc3coc(-c4ccc([N+](=O)[O-])cc4)n3)c2)s1 775901148 ZWIIXQVUVWVDMB-UHFFFAOYSA-N 436.449 4.236 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 776344376 DDFIZCHJMRXOIS-UHFFFAOYSA-N 442.293 4.159 5 20 IIBD O=C(N[C@H](c1ccccc1OC(F)F)C(F)(F)F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 779099379 JHFCVDUGYKZSMR-CYBMUJFWSA-N 435.261 4.138 5 20 IIBD O=C(Nc1ccccc1SC(F)(F)F)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 783294700 TVBSAXWBADQGKI-UHFFFAOYSA-N 439.415 4.336 5 20 IIBD COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)OC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c1 784257414 APGDGQFTPQLGIK-LSDHHAIUSA-N 444.484 4.158 5 20 IIBD O=C(/C(=C\c1ccc(F)cc1)c1cccs1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 785595716 SGUUSVQHWNASSX-JXAWBTAJSA-N 426.473 4.396 5 20 IIBD O=C(Nc1ccc(Oc2ccccc2F)nc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 786202203 JHKUUFYEPKDOHD-UHFFFAOYSA-N 437.431 4.275 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1N 787302255 HOSRWXXBXFPSJR-IBGZPJMESA-N 426.473 4.331 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC(n2ccc(C(F)(F)F)n2)CC1 790564624 NKWLVHAMQTYAKC-UHFFFAOYSA-N 434.777 4.009 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c(Cl)c1 790744571 GYABTBSVYWEYBJ-JTQLQIEISA-N 429.231 4.462 5 20 IIBD COc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1NC(=O)c1ccc([N+](=O)[O-])s1 791173291 RXBOPLGOUOQEPS-UHFFFAOYSA-N 448.438 4.139 5 20 IIBD CCc1ccc(-c2nc(CC(=O)OCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cs2)cc1 791538184 QOOCIDGMLJUINM-UHFFFAOYSA-N 427.438 4.475 5 20 IIBD O=[N+]([O-])c1ccc(Br)c2c1CN(Cc1cncc(Br)c1)CC2 792895834 DYIMGPOIABQZPQ-UHFFFAOYSA-N 427.096 4.073 5 20 IIBD Cn1cc(CN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c(-c2cccs2)n1 793612591 JFQSGCJHZQSEGB-UHFFFAOYSA-N 433.331 4.378 5 20 IIBD CCOc1ccc(NC(=O)COc2cc(Cl)c(Cl)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 794498016 XSZMFNANVWQLAD-UHFFFAOYSA-N 430.200 4.226 5 20 IIBD O=c1oc2cccc([N+](=O)[O-])c2n1CN1CCC[C@@H]1c1cc(F)cc(Br)c1 794643896 ULRBPUNVEISICA-CQSZACIVSA-N 436.237 4.199 5 20 IIBD COC(=O)c1nc([C@@H]2CCCN2c2ccc([N+](=O)[O-])cc2Br)sc1C 795201609 XIGVORSKKRPWFO-ZDUSSCGKSA-N 426.292 4.250 5 20 IIBD C[C@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)c1ccc(OC(F)F)cc1 798275024 DQZGFHYMFRECAU-ZDUSSCGKSA-N 434.395 4.225 5 20 IIBD Cn1ccnc1C(=O)c1ccc(Nc2ccc(NC(=O)CC(F)(F)F)cc2)c([N+](=O)[O-])c1 800887827 BZJKRSHXJHJLTO-UHFFFAOYSA-N 447.373 4.194 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](F)c1ccc(C(F)(F)F)cc1 801896530 YRDUSQBXLBESCA-OAHLLOKOSA-N 425.294 4.418 5 20 IIBD Cc1c(C(=O)N[C@H](C)c2ccc(Br)cc2F)cc([N+](=O)[O-])cc1[N+](=O)[O-] 804893205 PEJFSRXXKFWFFR-SECBINFHSA-N 426.198 4.204 5 20 IIBD CN(C(=O)OC(C)(C)C)C1(COC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 806057572 PUSPPONXJGTFMF-UHFFFAOYSA-N 433.486 4.275 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1cnc2c(F)cccc2c1 806084766 BKVSVZMTFNMBAQ-UHFFFAOYSA-N 444.440 4.294 5 20 IIBD Cc1cc(O)nc2cc(C(=O)N(Cc3nnc(-c4cccc([N+](=O)[O-])c4)o3)C(C)C)ccc12 807990511 GJZABANMDPCKES-UHFFFAOYSA-N 447.451 4.258 5 20 IIBD Cc1cccc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c1C 810398122 GXUFUWIXIXGRSD-KRWDZBQOSA-N 446.301 4.276 5 20 IIBD O=C(OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1nc(N2CCCC2)ncc1Cl 811085927 GXYFFHBCMQBHSI-UHFFFAOYSA-N 431.663 4.302 5 20 IIBD CSc1ccc(C(=O)Nc2cc(C)c(F)cc2C(=O)NCC(F)(F)F)cc1[N+](=O)[O-] 813290824 POSQLDAKXKRRFY-UHFFFAOYSA-N 445.394 4.309 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCN(C(=O)NCc3ccc([N+](=O)[O-])cc3)C2)C1 814362199 STKCOSIIKIMKNY-RBUKOAKNSA-N 446.548 4.164 5 20 IIBD C[C@H](NC1(Cc2cccc(F)c2)CCOCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 815153293 LTYMGMVFRYMHGX-AWEZNQCLSA-N 435.883 4.096 5 20 IIBD Cc1cc([N+](=O)[O-])c(F)c(C(=O)N(C)CCOc2ccc(Br)cc2)c1F 854238830 MOFUHTBNLKKYJK-UHFFFAOYSA-N 429.217 4.095 5 20 IIBD Cc1cc(F)ccc1S(=O)(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 874188563 PTGXKSHBQKHEAR-UHFFFAOYSA-N 430.413 4.062 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 907695422 MVALAIUFZDNNDW-SNVBAGLBSA-N 442.649 4.204 5 20 IIBD O=C(NC1CC1)c1ccc(CN(Cc2ccco2)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 912859121 VKYBOBBDQATUQN-VGOFMYFVSA-N 445.475 4.322 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCCCc1nc(-c2ccccc2)no1 913292498 QVMOYNXBPGSUNE-UHFFFAOYSA-N 439.471 4.381 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccccc1SC(F)(F)F 914946723 VNWQWLSAKAZJJZ-UHFFFAOYSA-N 430.360 4.011 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1OC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 916403557 IBDVKVZCPZLVFE-UHFFFAOYSA-N 446.525 4.033 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NCc2ccc(CN3C[C@@H](C)C[C@H](C)C3)cc2)c1[N+](=O)[O-] 917075594 JKMSGBNKCUEIGT-HOTGVXAUSA-N 442.516 4.394 5 20 IIBD O=C1CCCN1c1ccc(S(=O)(=O)Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])cc1 920317737 XMYDZRRTGSDFGU-UHFFFAOYSA-N 438.461 4.156 5 20 IIBD COc1cc(-c2nnc(Cc3cccs3)o2)c([N+](=O)[O-])cc1OCc1cscn1 1118417721 HUVZJCGAOJDZRQ-UHFFFAOYSA-N 430.467 4.341 5 20 IIBD COc1ccc(NC(=O)c2cc(C)nc3c2cnn3Cc2ccc(C)cc2)c([N+](=O)[O-])c1 1317728528 DQZGFYWSNDMHIS-UHFFFAOYSA-N 431.452 4.266 5 20 IIBD CC(C)CC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 1317953833 RQOHVRNQHADRMT-UHFFFAOYSA-N 427.526 4.077 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 1318532178 WKOKISHWMVRZMY-UHFFFAOYSA-N 431.514 4.136 5 20 IIBD O=C1COc2ccccc2N1CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 1319833520 ZHMIRLJYZUJTMW-UHFFFAOYSA-N 427.844 4.023 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(-n2cnc3ccccc32)nc1 1320359050 FBGMDKIUCCRRMH-UHFFFAOYSA-N 433.493 4.371 5 20 IIBD O=C(CCC(F)(F)F)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1 1785747666 FKWOOOSVNNGVTJ-UHFFFAOYSA-N 425.363 4.278 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1)c1nc2ccccc2[nH]1 1785748708 CFFPMWLJCXZQIC-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C3(NC(=O)c4ccc[nH]4)CCC3)cc2)c1 1790055662 HVONPOAUUMJVIH-UHFFFAOYSA-N 447.495 4.050 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccsc3)CCC2)cc1)c1ccc(O)c([N+](=O)[O-])c1 1790619119 UFSUBCFTUZCYKB-UHFFFAOYSA-N 437.477 4.423 5 20 IIBD O=C(CC1CC1)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 1824162277 RACDHKHPRUSASE-HXUWFJFHSA-N 447.963 4.211 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCC([C@H]2CCCCN2C(=O)CC2CCCC2)CC1 1826258931 QBRHJBOCFRBBRI-ZQAUEJBPSA-N 443.544 4.401 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1F)N1CC2(CCCN2C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)C1 1843939205 PXRDZDKBHYEMTQ-QXAKKESOSA-N 443.519 4.157 5 20 IIBD C[C@H](OC(=O)c1ccccc1NCc1ccco1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 9023158 GKUKNCDJWJKTMU-ZDUSSCGKSA-N 427.388 4.123 5 20 IIBD C[C@@H](OC(=O)c1ccc(Cl)s1)C(=O)/N=c1/[nH]c(-c2cccc([N+](=O)[O-])c2)cs1 9484433 QTPFXTIUCLNVCL-SECBINFHSA-N 437.886 4.039 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCCCC3)c([N+](=O)[O-])c1 12461842 WCQYSQUHRWBTRA-UHFFFAOYSA-N 449.463 4.216 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 14100286 ZVGJXXNOJHBXQM-UHFFFAOYSA-N 426.450 4.232 5 20 IIBD C[C@@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 15092339 PFHQHENMWDFEFM-CQSZACIVSA-N 437.525 4.244 5 20 IIBD C[C@@H](OC(=O)c1c[nH]c2ccc(Br)cc12)C(=O)Nc1cccc([N+](=O)[O-])c1 16327435 NWQFUEZCZRIAIB-SNVBAGLBSA-N 432.230 4.023 5 20 IIBD O=C(COC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccccc1Cl 18968556 ZCCMGHOZEHEDMJ-UHFFFAOYSA-N 445.781 4.251 5 20 IIBD Cc1sc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n(C(C)C)c(=O)c2c1C 21240594 CDWJKMIBIQJOJM-UHFFFAOYSA-N 432.527 4.295 5 20 IIBD CC(=O)Nc1cc2ccccc2cc1C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 27963539 HBEMZLNBAAHWTL-CQSZACIVSA-N 435.436 4.199 5 20 IIBD CCN(CC)C(=O)COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Cl 31955820 LHWILCQFSPCJBZ-UHFFFAOYSA-N 440.283 4.401 5 20 IIBD O=[N+]([O-])c1cc2c(c(CS(=O)(=O)Cc3csc(C4CCCCC4)n3)c1)OCOC2 58631789 HKEFSNKQEBCYHK-UHFFFAOYSA-N 438.527 4.081 5 20 IIBD CC[C@@H](C)c1ccc([C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c2cccs2)cc1 59407812 YIQZNLGTFJEOIF-IVZQSRNASA-N 425.510 4.237 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1Oc1ccccc1Cl 62033036 MVCZFFFHZHOVFM-UHFFFAOYSA-N 425.828 4.295 5 20 IIBD COc1ccc(OCCSCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 64855146 SFXLJULQGRRREH-UHFFFAOYSA-N 430.404 4.373 5 20 IIBD Cn1ccnc1[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(F)cc1 64897962 ADQDDFBQFHWROR-SFHVURJKSA-N 437.456 4.110 5 20 IIBD COc1ccccc1NC(=O)c1ccc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1 65439053 JGLMBAFQVHBJFR-UHFFFAOYSA-N 434.452 4.220 5 20 IIBD COc1cc(OC)cc(-c2nnc(SCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)o2)c1 69258954 XYNDUKHUARPPSC-UHFFFAOYSA-N 441.425 4.004 5 20 IIBD O=C(c1ccccc1)c1ccc(NC[C@@H](c2cccs2)N2CCOCC2)c([N+](=O)[O-])c1 69447739 YUEGPNUGHCJJGF-NRFANRHFSA-N 437.521 4.373 5 20 IIBD CCOc1ccc(-c2nc(Cn3c(=O)oc4ccc([N+](=O)[O-])cc43)cs2)cc1OC 97150580 GRANXVWLONXZKF-UHFFFAOYSA-N 427.438 4.082 5 20 IIBD O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 195622942 MTTSZJBKOGNTLC-UHFFFAOYSA-N 428.452 4.233 5 20 IIBD COc1ccc(-c2ccc(CNC[C@H](c3cccs3)N3CCOCC3)o2)c([N+](=O)[O-])c1 237416516 PHBBRCHHRDPZMA-HXUWFJFHSA-N 443.525 4.088 5 20 IIBD Cc1c(Oc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)cccc1[N+](=O)[O-] 301093574 NVFXAMLIIUEXBG-UHFFFAOYSA-N 426.738 4.309 5 20 IIBD O=[N+]([O-])c1ccc(NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)c2ncccc12 301467615 QQVRXGSQPHQQEW-UHFFFAOYSA-N 446.554 4.034 5 20 IIBD O=[N+]([O-])c1cnc(NC2CCN(Cc3ccc(F)c(F)c3)CC2)c(Br)c1 301572821 XMTQRGJSXDJBEP-UHFFFAOYSA-N 427.249 4.107 5 20 IIBD CC(C)(CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Cl)cc1 303545997 ZHXQWQJNCBDSQY-HNNXBMFYSA-N 435.933 4.008 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC(Cc2ccc(F)c(F)c2)C1 426269087 VHHCRIIETTVTIY-UHFFFAOYSA-N 429.345 4.276 5 20 IIBD CS(=O)(=O)CC1CCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 430147238 KWIYEJHNGXUUOI-UHFFFAOYSA-N 438.933 4.297 5 20 IIBD Cc1cc(OCC(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)ccc1[N+](=O)[O-] 430404672 WQKPEUJZIDHNPW-UHFFFAOYSA-N 431.448 4.124 5 20 IIBD C[C@H]1CC(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)Cc1cccc([N+](=O)[O-])c1 430448725 MAPYPBSMSSUWRZ-SFHVURJKSA-N 429.476 4.496 5 20 IIBD CCCOc1ccc(Oc2ncccc2CNC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1 433847643 SEMGMRNEWOXQKP-UHFFFAOYSA-N 439.472 4.347 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)Nc1ccn(CCc2ccncc2)n1 434153236 LUAIOIILSUUVGE-UHFFFAOYSA-N 444.451 4.865 5 20 IIBD CCOc1cccc([C@@H]2C[C@H]2Nc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)c1 435567841 MQBCKYWSYBOIKM-ZWKOTPCHSA-N 426.860 4.161 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC=C(c2c[nH]c3cc(C)ccc23)CC1 439775812 PWLAJQSWKHRPPU-UHFFFAOYSA-N 448.479 4.038 5 20 IIBD COC(=O)[C@@H]1CC12CCN(C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])CC2 442715696 PNYPZGGXBFUJOW-INIZCTEOSA-N 426.494 4.161 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1sc2ccc(Cl)cc2c1C 443337144 WVECYUMGSXLAPM-UHFFFAOYSA-N 433.873 4.035 5 20 IIBD CC1CCN(c2ccc(-c3nc(COCC(F)(F)C(F)F)no3)cc2[N+](=O)[O-])CC1 445742734 KQSKHSLCUNEHLB-UHFFFAOYSA-N 432.374 4.298 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 445913938 WOLCLJXHRIAVDU-UHFFFAOYSA-N 436.430 4.411 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCCc1ccc(Br)cc1 446181703 BMGIKJPMKLQFNH-UHFFFAOYSA-N 442.107 4.021 5 20 IIBD CN(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@H]1CCOc2ccc(Br)cc21 446645010 APLJJXLHDKFAOS-KRWDZBQOSA-N 434.290 4.065 5 20 IIBD Cc1cc(C[C@@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n(-c2ccccc2)n1 448189838 NTLKRZCGJKTHFT-GDBMZVCRSA-N 442.903 4.257 5 20 IIBD Cc1[nH]nc(C(=O)N[C@](C)(Cc2cccc(Br)c2)c2ccccc2)c1[N+](=O)[O-] 461029698 RZXGFQCHVRXTEW-HXUWFJFHSA-N 443.301 4.277 5 20 IIBD CCOc1cccc(CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)c1OC(F)F 465052421 ZBRZOPJYZUMDKA-UHFFFAOYSA-N 435.427 4.443 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 467231285 ROCKSVNOPJMDIN-QGZVFWFLSA-N 441.818 4.133 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H](c1ccccc1OC(F)F)C(F)(F)F 467986073 VHINJIMZPNWPRN-OAHLLOKOSA-N 433.333 4.342 5 20 IIBD COC(=O)COc1ccc(NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc12 468335665 IKEZKNRAYBXCNX-HNNXBMFYSA-N 437.452 4.491 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CCCSc2ccc(F)cc21 469094254 WXYQCRUWXSKOTH-UHFFFAOYSA-N 447.307 4.188 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 473333803 QUUGLBSNYBHKTM-SFHVURJKSA-N 445.262 4.141 5 20 IIBD CCS(=O)(=O)c1ccc(N2CCC(Nc3nc4ccccc4cc3[N+](=O)[O-])CC2)cc1 473516444 BTAIMYQKNKODSZ-UHFFFAOYSA-N 440.525 4.018 5 20 IIBD Cc1cc(F)c(Br)cc1NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 475768507 DODRVNFSFVTZEB-UHFFFAOYSA-N 433.237 4.458 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCC[C@@H]2Cc2ccccc2)cc1OC 476725786 FDECHZONZTWWGM-QUCCMNQESA-N 442.512 4.160 5 20 IIBD COc1cc(CCNC(=O)N[C@H](C)c2c(F)cccc2Cl)c([N+](=O)[O-])cc1OC 477837064 HSNFHWAWOYVSRP-LLVKDONJSA-N 425.844 4.007 5 20 IIBD Cc1c(CS(=O)(=O)Cc2ccc(OCc3ccccc3F)nc2)cccc1[N+](=O)[O-] 478721573 LRRFIMWYWSDMDW-UHFFFAOYSA-N 430.457 4.131 5 20 IIBD Cn1c([C@@H](NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccccc2)nc2ccccc21 481426443 UQRMNQHFUUJOEP-QFIPXVFZSA-N 440.463 4.411 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NC2CCN(C3CCCC3)CC2)cc1[N+](=O)[O-])c1ccccn1 482645303 WAMNPZLLYWYTHP-QGZVFWFLSA-N 437.544 4.300 5 20 IIBD O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1nc2cc(Cl)ccc2n1Cc1ccccc1 483427236 BVOCFUOOJFMOEW-UHFFFAOYSA-N 446.850 4.442 5 20 IIBD Cc1c(CNC(=O)C(=O)Nc2cccc(CO[C@@H]3CCC[C@H](C)C3)c2)cccc1[N+](=O)[O-] 483813194 BXTUMJRVPLDRPR-HRAATJIYSA-N 439.512 4.253 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 484550813 YNBNFYRYVCTEOT-QFIPXVFZSA-N 447.470 4.362 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@@H](c2ccccc2F)C1 484873905 VQMZXUMEMVVORM-CABCVRRESA-N 446.500 4.455 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(Br)ccc1OC 486560864 MWZBKZPEBSDLHP-UHFFFAOYSA-N 425.304 4.408 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCCc2cc(OC(F)(F)F)ccc21 487143536 VLIQNVBWFFGYRL-UHFFFAOYSA-N 432.358 4.272 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Nc2cccc(Cl)c2OCC(F)F)c([N+](=O)[O-])c1 487481994 DZAVFSXWQHATNL-SNVBAGLBSA-N 429.807 4.340 5 20 IIBD CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 488922836 AUVRHEXJNAQCPS-UHFFFAOYSA-N 449.533 4.196 5 20 IIBD Cc1ccccc1Oc1ccccc1CNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 494902211 PBMRPFQATMOBLO-UHFFFAOYSA-N 435.484 4.439 5 20 IIBD Cc1cccc(Oc2ccccc2CNC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 494909879 PDHIXBHJDACZRF-UHFFFAOYSA-N 435.484 4.439 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 501215397 YPTLQBPDEMNKSO-AQNXPRMDSA-N 429.904 4.005 5 20 IIBD COCc1cc(CNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1F 502315668 JJMJOTBMFMASHE-UHFFFAOYSA-N 429.370 4.018 5 20 IIBD CC(=O)Nc1ccc(NC(=O)Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)c(C(F)(F)F)c1 504520018 CBOIVIKVLYSBGW-UHFFFAOYSA-N 447.373 4.074 5 20 IIBD CC1CCN(c2ccc(C(=O)NCCc3cc(C(F)(F)F)ccn3)cc2[N+](=O)[O-])CC1 506763914 RWXOFLIEMOOBNK-UHFFFAOYSA-N 436.434 4.217 5 20 IIBD COc1cc(CNc2ncccc2Br)c([N+](=O)[O-])cc1OCC(F)(F)F 508507159 UMWAXFFVXHTQRJ-UHFFFAOYSA-N 436.184 4.314 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1cc(Cl)c2c(c1)OCCO2 509310807 NXOZRQJDYVWHRH-UHFFFAOYSA-N 433.892 4.182 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)ccc2C)c([N+](=O)[O-])c1 509559755 UNAYLNJAOYUPDI-IYBDPMFKSA-N 445.541 4.131 5 20 IIBD CCOc1c(OC)cc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1OC 509686593 ZOCMCUVTCLECMQ-UHFFFAOYSA-N 431.489 4.131 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCc2ccccc2-n2cccn2)cc1[N+](=O)[O-])c1ccccn1 510150628 TXLCDADSOXIJOL-KRWDZBQOSA-N 442.479 4.279 5 20 IIBD CN(C(=O)COc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 512743280 VNIACJHPAABSOW-UHFFFAOYSA-N 438.267 4.154 5 20 IIBD Cc1cc(NC(=O)CNc2cc([N+](=O)[O-])ccc2OC(F)F)ccc1Br 515663754 LTRHSJBLPNFKHB-UHFFFAOYSA-N 430.205 4.318 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2nnc(-c3ccccn3)s2)cc1[N+](=O)[O-])c1ccccn1 517661557 ALXPEHKUQNKLLK-ZDUSSCGKSA-N 447.480 4.329 5 20 IIBD C[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc(N2CCCC2=O)c1 519012683 FFHYQYFPSSYGJM-GFCCVEGCSA-N 434.399 4.206 5 20 IIBD CCOC(=O)c1sc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c(C(=O)OCC)c1C 522890392 GSMPLPWJOKCBKK-UHFFFAOYSA-N 440.861 4.224 5 20 IIBD O=C(CCc1nnc(-c2cc3ccccc3o2)o1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 523162847 YTJYIIRFTINXFE-UHFFFAOYSA-N 444.407 4.352 5 20 IIBD CCN(c1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-])[C@@H](C)c1cccnc1 523752941 ZTUKBIDGVLIBEV-KRWDZBQOSA-N 432.546 4.142 5 20 IIBD C[C@H](O)CN(Cc1ccccc1)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 524990084 FMUFWPKYSFFFBZ-ROUUACIJSA-N 434.496 4.186 5 20 IIBD O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 525481434 TVBCYHWLBKWXHN-UHFFFAOYSA-N 441.915 4.292 5 20 IIBD C[C@H](O)CN(Cc1ccccc1)C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 525494908 VOIAOQWOPGYQCI-ZDUSSCGKSA-N 449.294 4.111 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N(Cc1ccccc1)C[C@@H]1CCCO1 531503067 CULIHJBMJZXFRN-SFHVURJKSA-N 433.302 4.108 5 20 IIBD CN(C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1cccc([N+](=O)[O-])c1 533606019 GOVQLMNMUNJMGT-CQSZACIVSA-N 436.295 4.417 5 20 IIBD CCC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 534051118 NSZOYPKBGOUSLT-ZDUSSCGKSA-N 439.921 4.109 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2C(C)C)c([N+](=O)[O-])c1 536302701 QEXXFQZQJSTETG-UHFFFAOYSA-N 429.292 4.290 5 20 IIBD COc1cc(CN2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c([N+](=O)[O-])cc1OC 537620935 KJPZMHHRKDALEX-NSHDSACASA-N 431.436 4.467 5 20 IIBD CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 537698677 WAERBCDSIYPFDO-KRWDZBQOSA-N 449.941 4.332 5 20 IIBD C[C@H]1C[C@@H](N(C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 538733120 RXOZLZZGSFYJDY-CYFREDJKSA-N 433.556 4.480 5 20 IIBD O=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)Nc1cc([N+](=O)[O-])ccc1O 539970959 SGPJUBSUXLJXKG-UHFFFAOYSA-N 431.404 4.480 5 20 IIBD COc1ccc(NC(=O)C(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 542085093 VDQAZNIIJZUODF-SNVBAGLBSA-N 426.256 4.068 5 20 IIBD Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1-c1nnnn1C1CC1 542347023 RGFOOWQJBOJZOJ-UHFFFAOYSA-N 432.362 4.163 5 20 IIBD O=[N+]([O-])c1ccccc1OC[C@@H](O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 543119733 CGAPYQSDWCIAEU-LJQANCHMSA-N 448.504 4.375 5 20 IIBD C[C@@H](NC(=O)N=c1cc[nH]cc1[N+](=O)[O-])c1nc(-c2ccc(Br)cc2)cs1 543766437 MOWWKBJGBUVAPQ-SNVBAGLBSA-N 448.302 4.180 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](Cc1ccc(Cl)cc1)c1ccccn1 543980173 LKQHRDLLWBVKTK-HXUWFJFHSA-N 440.887 4.164 5 20 IIBD COCCCOc1cccc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)c1 545008313 XTTYJWPTTZIXRQ-UHFFFAOYSA-N 448.273 4.413 5 20 IIBD Cc1cc(-c2noc(-c3ccc(-n4cncn4)c([N+](=O)[O-])c3)n2)ccc1N1CC[C@H](C)C1 545786199 OIWUJSJQFPIGNA-AWEZNQCLSA-N 431.456 4.047 5 20 IIBD COc1ccc([C@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)N2CCCCC2)cc1 546534922 LGUPKOSPEBRVOG-QFIPXVFZSA-N 443.519 4.364 5 20 IIBD O=c1cc(CSCc2c(Cl)cccc2[N+](=O)[O-])nc2ccc(Br)cn12 548620012 VMTOLGMNRZWVIL-UHFFFAOYSA-N 440.706 4.452 5 20 IIBD Cc1nc(COc2ccc(F)cc2)sc1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] 552607412 XITFVASWADILNW-UHFFFAOYSA-N 429.473 4.393 5 20 IIBD CO[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(C(=O)c1ccc(Sc4nc(C)cs4)c([N+](=O)[O-])c1)C[C@@H]3C2 553323442 LFQZYOFCRCVTIF-TZUPDSNESA-N 431.539 4.006 5 20 IIBD CC(=O)NCC[C@H]1CCCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 554099146 OFFKMJMHTCOTLP-QGZVFWFLSA-N 427.526 4.124 5 20 IIBD COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 556609055 PHDZXAZRUMVQOW-MGPUTAFESA-N 425.510 4.228 5 20 IIBD O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 563642393 OUSYXVFMIYBTPX-FUHWJXTLSA-N 435.505 4.298 5 20 IIBD O=C(NC1(c2noc(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)CCC1)c1ccccc1 569033874 AEUMYGAJXCTZKN-UHFFFAOYSA-N 433.468 4.054 5 20 IIBD COc1cc(F)c(F)cc1NC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 569630257 XCMJWJVPAQPGCO-OAHLLOKOSA-N 437.399 4.086 5 20 IIBD COc1cc(CN2CC[C@H](n3cc(Cl)cn3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 571933802 JSPOZIRVKCJYST-IBGZPJMESA-N 442.903 4.479 5 20 IIBD Cc1cc(C(=O)NCC(=O)N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)ccc1[N+](=O)[O-] 573825406 NVPRLSKCHYFIMV-QGZVFWFLSA-N 449.429 4.058 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CN[C@H]2CCO[C@H](c3ccccc3)C2)c1 574123043 GUJZPSPBEYGUAZ-WMZOPIPTSA-N 438.265 4.209 5 20 IIBD Cn1ccnc1[C@H](NCc1ccncc1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 579150506 WKOPKICIUWOSPP-HSZRJFAPSA-N 429.480 4.182 5 20 IIBD COc1cc(OC)cc(Oc2ccc(CNC(=O)c3ccc(F)cc3[N+](=O)[O-])cc2)c1 583505789 VPVGKJYOGFTKFZ-UHFFFAOYSA-N 426.400 4.473 5 20 IIBD Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NCc3nc4c(s3)C[C@H](c3ccccc3)CC4)cc21 588018968 USUSRMHLQKMAKO-OAHLLOKOSA-N 449.536 4.126 5 20 IIBD CCCCCN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1nc(C)c(C(=O)OCC)s1 589319181 BBLGBFVIDOLGFY-UHFFFAOYSA-N 449.485 4.102 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1 603721720 IUMRGNMKPXCWQS-SFHVURJKSA-N 445.884 4.163 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCCc3cc(Br)ccc32)cc1OC 604016041 DOISHYQMTRHMSI-UHFFFAOYSA-N 435.274 4.358 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 604466735 ZGAGETMMDPEXPD-UONOGXRCSA-N 438.311 4.312 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1ccc(CCCc2ccccc2)cc1 608843757 FSXJXDJSMSXLLY-UHFFFAOYSA-N 431.492 4.367 5 20 IIBD CC(C)CN1CCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 608923389 DHAGTWQTIRYLRU-NRFANRHFSA-N 430.936 4.202 5 20 IIBD CCCCCn1nc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)c2ccccc2c1=O 609202133 IEDBIAWDBGYNAR-UHFFFAOYSA-N 446.467 4.137 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 609665061 WSIGYOWPZBHDJG-KRWDZBQOSA-N 436.434 4.201 5 20 IIBD CC(C)c1ccc([C@H](C)CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1 609986762 BSTGWYWAYMXHRT-MRXNPFEDSA-N 429.542 4.258 5 20 IIBD Cc1ccc(NCCCNC(=O)NCc2ccnc(Oc3ccccc3)c2)c([N+](=O)[O-])c1 610090105 OMTHDYCGFSLUDE-UHFFFAOYSA-N 435.484 4.392 5 20 IIBD COc1cc(C(=O)NCc2ccccc2CN2C[C@@H](C)C[C@@H](C)C2)cc([N+](=O)[O-])c1OC 610196378 VMRNNCSINMJBNH-CALCHBBNSA-N 441.528 4.020 5 20 IIBD COc1ccc(-c2ccc(CNc3cc(C(=O)N(C)C)ccc3OC)o2)c([N+](=O)[O-])c1 610910252 HWGIXUMKQUZTCJ-UHFFFAOYSA-N 425.441 4.186 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1Cc2cccc(Br)c2C1 613689757 XIYFONPBNLHIAY-UHFFFAOYSA-N 445.191 4.454 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCc2sccc2[C@@H]1c1cccs1 619474300 VKMLQMFEEQIIOV-QGZVFWFLSA-N 436.536 4.063 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 725823900 HEIDGCNDRPNHAK-UHFFFAOYSA-N 426.281 4.130 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)N2CCCCC2)ccc1Cl 726924835 JPRCDEYGQSRLSP-UHFFFAOYSA-N 430.892 4.193 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)[C@H](C)Oc2ccccc2C(F)(F)F)cccc1[N+](=O)[O-] 727203322 BKPNZXARXHOWIE-STQMWFEESA-N 440.374 4.260 5 20 IIBD COc1ccc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2N)cc1NC(=O)c1cccc(F)c1 727767148 RUIXYNSJKWPABL-UHFFFAOYSA-N 438.415 4.138 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1sc(-c2ccccc2)cc1C(N)=O 728157965 ZAYAHBMYVPXGOI-NSHDSACASA-N 445.884 4.482 5 20 IIBD O=C(Oc1ccc(-c2noc([C@H]3CCCO3)n2)cc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 729246076 ZZDGJXQLXHEYMY-LJQANCHMSA-N 436.424 4.290 5 20 IIBD Cc1nc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc1-c1nnc(S)n1C1CC1 729322445 ITMQTPNANQJBTO-UHFFFAOYSA-N 436.906 4.148 5 20 IIBD O=C(CN1CCC([C@H](O)c2ccc(Cl)cc2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] 731481799 DFJNAOKELCQQEY-HXUWFJFHSA-N 438.311 4.286 5 20 IIBD O=C(Nc1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 731997174 NJQKCVVMVHKTQH-UHFFFAOYSA-N 430.869 4.474 5 20 IIBD COc1ccc(NCc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])cc1NC(C)=O 734157303 HHQWPMIFMPKMSL-UHFFFAOYSA-N 443.378 4.124 5 20 IIBD Cc1ccc(OC(=O)CCC[S@@](=O)c2ccc(Br)cc2)c([N+](=O)[O-])c1 735207382 PNTHCCUZPWIIHT-RUZDIDTESA-N 426.288 4.159 5 20 IIBD COc1ccc(OC(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c([N+](=O)[O-])c1 744034378 HIJJDZRJJLTOET-LIRRHRJNSA-N 430.457 4.411 5 20 IIBD CCOc1cc(N2CCC(OC(=O)/C=C\c3ccc(OC)cc3)CC2)ccc1[N+](=O)[O-] 744203312 GZCLJMXOMDDEHA-WDZFZDKYSA-N 426.469 4.228 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O[C@H](C)c1nc(Cc2ccccc2)no1 744869367 JCJUNPZERAJBJT-OLZOCXBDSA-N 431.832 4.294 5 20 IIBD C[C@H]1[C@@H](C(F)(F)F)OC(=O)N1c1ncccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 746487728 SQCAYVXVJCBNSR-SDBXPKJASA-N 444.753 4.172 5 20 IIBD C[C@@H]1CN(c2ccc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)cc2)C[C@@H](C)O1 747396906 SEGQXNKKDSJWAE-QZTJIDSGSA-N 438.528 4.064 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2csc3cncn23)c2ccccc2)c([N+](=O)[O-])c1 749377754 NNXZQQOOYIERTC-LJQANCHMSA-N 436.449 4.149 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCCc2cc(Cl)cc(Cl)c21 752865347 LBMDONXPRNKOLL-UHFFFAOYSA-N 436.295 4.331 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)c1ccc(Br)cc1F 752936217 YPLYZEDPHZXSEJ-SECBINFHSA-N 428.233 4.193 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2cccc3c2CCN3C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 754015693 VMQMWVHBBUCGCV-UHFFFAOYSA-N 442.428 4.361 5 20 IIBD CCc1ccc(OC(=O)[C@@H]2CCC(=O)N2Cc2ccc(Br)cc2)c([N+](=O)[O-])c1 755782437 LYCFVOLORUZFLM-INIZCTEOSA-N 447.285 4.016 5 20 IIBD O=[N+]([O-])c1ccc(-c2ncn(CN3CCC[C@H]3c3ccccc3Br)n2)cc1 755923286 IRDNWLNFPMLVOJ-SFHVURJKSA-N 428.290 4.410 5 20 IIBD CN(CCC1CCOCC1)C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 758294632 CJHRKTYJAQPUEG-UHFFFAOYSA-N 445.903 4.389 5 20 IIBD CCN(CC)c1ccc(N(Cc2cccs2)C(=O)c2cc([N+](=O)[O-])cnc2N)cc1 759858400 MUAXCDGGFAVUMP-UHFFFAOYSA-N 425.514 4.327 5 20 IIBD CC[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@@H]1NC(=O)OC(C)(C)C 760886227 PTGHRSXQWPCACB-BEFAXECRSA-N 430.505 4.375 5 20 IIBD Cn1nc(-c2nc(-c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3)no2)c2ccccc2c1=O 762308790 NCBKKDASYGEWSR-UHFFFAOYSA-N 441.403 4.351 5 20 IIBD Cc1ccc(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])cc1-c1ncco1 765108306 XTHCPYVYJJTZKK-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD COc1ccc2c(c1)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1)CCO2 767207638 WSFKQRHNPBAUJM-FQEVSTJZSA-N 425.485 4.093 5 20 IIBD CN(Cc1ccccc1)c1ccc(NC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 770235915 HMKVMTJHAFZKDK-UHFFFAOYSA-N 430.468 4.429 5 20 IIBD CCN1C(=S)N[C@H](c2ccc([N+](=O)[O-])c(OC)c2)C(C(=O)Nc2ccccc2C)=C1C 770622461 DGGKEVOCALJXAE-HXUWFJFHSA-N 440.525 4.076 5 20 IIBD CC(C)c1ccc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cn1 772393113 QDDODTRKNNUWHR-CYBMUJFWSA-N 440.481 4.421 5 20 IIBD C[C@H]1C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C 773820065 RNCCBZLLAXPSNS-WCQYABFASA-N 431.411 4.131 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 776933741 ASSBYKZBDDOKMM-UHFFFAOYSA-N 433.442 4.434 5 20 IIBD O=C(O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)c1csc(Cc2cccc(F)c2)n1 778814556 OJXCGHWQZFPDRK-INIZCTEOSA-N 445.447 4.356 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC)c(N2CCOC2=O)c1 779967906 KSPOPYFTFBWXME-UHFFFAOYSA-N 431.470 4.314 5 20 IIBD O=C(OCCOc1ccc([N+](=O)[O-])cc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781258099 NVXKFJXTYQTFGB-UHFFFAOYSA-N 440.358 4.104 5 20 IIBD CC(C)(C)OC(=O)Nc1ccccc1NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781619030 MSDYTQRHUGNTTE-UHFFFAOYSA-N 430.417 4.421 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])c(F)c1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 782090435 MKXGCINTQWOPQT-UHFFFAOYSA-N 427.354 4.108 5 20 IIBD CCN(C(=O)[C@H](C)OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCCCC1 783316695 RCYNJUYNWFQSHO-AWEZNQCLSA-N 431.514 4.445 5 20 IIBD COc1ccc(-c2ccc(CNC(=O)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)s2)cc1 783333644 ZNPHZICXXBWMBP-UHFFFAOYSA-N 445.884 4.240 5 20 IIBD Cc1ccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1NC(=O)C(C)(C)C 784764377 GBDUNLWMFOMNPA-UHFFFAOYSA-N 432.864 4.118 5 20 IIBD CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 785657807 NQXPGWQEGRSXHF-GOSISDBHSA-N 433.427 4.171 5 20 IIBD O=C(Cc1csc(Cc2cccc(Cl)c2)n1)OCC(=O)c1ccc([N+](=O)[O-])cc1 787010990 UBZJNMDPZGUFBM-UHFFFAOYSA-N 430.869 4.264 5 20 IIBD C[C@@H](Nc1cc(Br)cc(C(=O)N2CCCC2)c1)c1ccc(N)c([N+](=O)[O-])c1 788796083 DLHQJWFFBKTNDX-GFCCVEGCSA-N 433.306 4.349 5 20 IIBD C[C@H](OC(=O)c1cc(Br)ncc1[N+](=O)[O-])C(=O)c1ccccc1C(F)(F)F 789078906 GYHJFBAGZUGGIV-QMMMGPOBSA-N 447.163 4.199 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1[N+](=O)[O-] 793072162 KUKKSOFBJDKVGF-MRXNPFEDSA-N 441.450 4.412 5 20 IIBD Cc1c(C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)cccc1[N+](=O)[O-] 794829706 ZQJHJAYPJACMBS-UHFFFAOYSA-N 427.457 4.285 5 20 IIBD CNC(=O)Oc1cccc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1 795013462 ZZZCDNKMEMTFJS-HUUCEWRRSA-N 426.473 4.048 5 20 IIBD CCC(=O)c1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c([N+](=O)[O-])c1 795075062 OBXYPIBCMSUTJA-UHFFFAOYSA-N 435.402 4.169 5 20 IIBD CC(C)OCCOCc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c1 795307220 XIWJABJNTQCLMB-UHFFFAOYSA-N 446.884 4.130 5 20 IIBD CCOc1ccc(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1S(=O)(=O)N(C)C 796402564 PCYFBAARONRUGI-UHFFFAOYSA-N 445.497 4.116 5 20 IIBD Cc1ccc(-c2ccc(C)c(NC(=O)C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)c2)o1 796929115 MSLTUGVVMNBYND-UHFFFAOYSA-N 427.844 4.380 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)Nc1cccc(CSC2CCOCC2)c1 800630900 SMMRFRRQGVNDLO-UHFFFAOYSA-N 447.488 4.032 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 804176259 IFHQTOYFXKSJEY-UHFFFAOYSA-N 434.452 4.430 5 20 IIBD CS(=O)(=O)c1cc(C(=O)OC/C=C\c2cc(Cl)cc(Cl)c2)cc([N+](=O)[O-])c1 809102137 XHOZAVDHMHHJJG-IHWYPQMZSA-N 430.265 4.175 5 20 IIBD O=C(COC(=O)c1c(F)cc(C(F)(F)F)cc1F)Nc1ccc(Cl)c([N+](=O)[O-])c1 811419104 ZQNNSHJCAJFVDR-UHFFFAOYSA-N 438.692 4.341 5 20 IIBD C[C@H](C(=O)OC[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)c1ccc([N+](=O)[O-])cc1F 813151943 BZARPNWRJODLIT-STQMWFEESA-N 446.422 4.273 5 20 IIBD CC1(C(=O)O[C@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)CCN(Cc2ccccc2)CC1 813170355 NFTHHGBZKIQNFY-QHCPKHFHSA-N 437.540 4.015 5 20 IIBD O=C(NC1CCCC1)OC[C@@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 813265786 HAXJYMFHLXMKAU-HNNXBMFYSA-N 443.422 4.277 5 20 IIBD Cc1cc(Cl)c(C(=O)O[C@H](C)C(=O)N(C)Cc2nc3ccccc3s2)cc1[N+](=O)[O-] 815407026 DYNHSHWXFODARH-GFCCVEGCSA-N 447.900 4.370 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)CC1 836814831 LUCWTMRZWGMIGD-UHFFFAOYSA-N 447.499 4.072 5 20 IIBD COc1ccc(NC(=N)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Cl 849055996 QFIFPTQVIRPJHT-UHFFFAOYSA-N 431.802 4.324 5 20 IIBD COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)SCc2cc([N+](=O)[O-])ccc2OC)c1 861872445 OYQJVNKWLVUXFS-ZIAGYGMSSA-N 434.514 4.120 5 20 IIBD Cc1cccc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c1I 915295107 FVEXGSZYLODEBI-UHFFFAOYSA-N 444.656 4.433 5 20 IIBD Cc1cccc2sc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(Br)c3)nc12 917849411 SSIOBLZATJTHCM-UHFFFAOYSA-N 428.289 4.076 5 20 IIBD C[C@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(OC(F)(F)F)cc1 918854732 DILJKROAUYVFMM-JTQLQIEISA-N 446.765 4.181 5 20 IIBD C[C@H](OC(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1)C(=O)Nc1cccc([N+](=O)[O-])c1 919522683 BAPJWFGCQUDLKL-JTQLQIEISA-N 437.330 4.159 5 20 IIBD CC(C)N(C(=O)[C@H](C)OC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)C(C)C 920547647 OYSOOPYBGPTWNR-SJORKVTESA-N 442.516 4.354 5 20 IIBD Cc1nc(Oc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])c2c(-c3ccccc3)csc2n1 1321501305 BBVAJNAGKKVRNT-UHFFFAOYSA-N 442.478 4.015 5 20 IIBD O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCC(Nc3ccccc3Cl)CC2)cc1Cl 1323812928 GIBRPAAPDGMBOC-UHFFFAOYSA-N 448.303 4.306 5 20 IIBD CC(C)n1c([C@H](C)NC(=O)c2cc(Br)cc([N+](=O)[O-])c2N)nc2ccccc21 1340051844 UUFUBZBFSSQRAI-NSHDSACASA-N 446.305 4.361 5 20 IIBD Cc1ccn(C)c1C(=O)Nc1ccc(C2(NC(=O)Cc3cccc([N+](=O)[O-])c3)CCC2)cc1 1790179061 MKSCOFJUFYASGO-UHFFFAOYSA-N 446.507 4.232 5 20 IIBD CC(C)[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 1792474703 QVKGXDHXCBGMLD-MTQWNXOMSA-N 449.551 4.215 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1sccc1Cl)c1ccc([N+](=O)[O-])cc1F 1798974403 CVIJEVBKPPREHA-ZSBIGDGJSA-N 437.880 4.014 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)cc1F 1800349242 YSWPFMAYDFDOMH-BTTYYORXSA-N 449.841 4.092 5 20 IIBD Cc1cc(Cl)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(F)c2[N+](=O)[O-])c1 1800530569 NNHVCYFCJPUUNR-BJWYYQGGSA-N 445.878 4.261 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2ccoc12)c1cc(F)cc([N+](=O)[O-])c1 1801100506 DCLMHNXGCRMZPT-BCDXTJNWSA-N 437.427 4.046 5 20 IIBD C[C@@H]1CCC[C@@H]1C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1823679261 JLVBDQWHUULXDS-YFXJRYMSSA-N 441.572 4.193 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(Cl)c2)CC1 1829967644 FWZAJENKKVRBOH-SFHVURJKSA-N 445.903 4.388 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C23CC(C2)C3)CC1 1830728367 BKDYYFFKLYLNGT-HYSRAYMDSA-N 443.519 4.076 5 20 IIBD Cc1ccccc1C(=O)N1CC2(CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 1845739270 CWVIIYBJRVJRLG-UHFFFAOYSA-N 435.505 4.249 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3F)cc2)cc1[N+](=O)[O-] 15421993 DFUXTQZQTGOQES-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)COc1ccc(Cl)cc1 16014858 WYVWZQGZBVVZEI-UHFFFAOYSA-N 430.848 4.114 5 20 IIBD Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 16823023 HJEIVDRDKMHGFN-CYBMUJFWSA-N 439.390 4.213 5 20 IIBD Cc1c(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 17960177 FXQSEAYVXOQEIC-UHFFFAOYSA-N 426.454 4.441 5 20 IIBD C[C@@H](OC(=O)CSc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1C(F)(F)F 18438107 VXHJEXQGAPZZPN-LLVKDONJSA-N 428.388 4.276 5 20 IIBD CSc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 19170334 AAQBDRPYIPSLOR-UHFFFAOYSA-N 443.506 4.370 5 20 IIBD COc1ccc(-c2nc(C(=O)OCC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])cs2)cc1 19176213 PCXCGDJWFXZGIZ-UHFFFAOYSA-N 447.856 4.176 5 20 IIBD CC(=O)c1ccccc1NC(=O)[C@H](C)Sc1nc2cc3ccccc3cc2c(=O)n1C 20988187 IBUCKVZMRVSHPC-HNNXBMFYSA-N 431.517 4.409 5 20 IIBD CCc1cccc(CC)c1NC(=O)[C@H](C)OC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 22243600 KJVJUOXYFDAHNT-AWEZNQCLSA-N 425.485 4.478 5 20 IIBD C[C@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)Nc1ccc(N2CCCC2=O)cc1 23214230 FBAUODVOSQHQGM-LBPRGKRZSA-N 442.522 4.451 5 20 IIBD C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 23918633 RTWZNLOWOQJJEL-CYBMUJFWSA-N 430.917 4.377 5 20 IIBD COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 25371962 POROKYTWVAOZIB-UHFFFAOYSA-N 428.466 4.008 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1csc(Br)c1)c1ccccc1[N+](=O)[O-] 32456142 XOVHWWNAOOTDPK-CYBMUJFWSA-N 441.303 4.232 5 20 IIBD Cn1ccnc1[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 45842155 DCNLVZFNDDGDPT-FQEVSTJZSA-N 439.903 4.101 5 20 IIBD CC(=O)Nc1nc2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2s1 107827900 GJJZBTXGGRWVAX-UHFFFAOYSA-N 425.470 4.015 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccc(N3CCCC3)nc2)cc1[N+](=O)[O-])c1ccccn1 108785737 PSTHGDTYEHMWMV-INIZCTEOSA-N 432.484 4.410 5 20 IIBD Cc1cc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)ccc1C(=O)O 237838315 VVORFSCRDGBGGH-UHFFFAOYSA-N 435.223 4.346 5 20 IIBD CN(CC(=O)Nc1ccccc1Br)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 301059050 PXPUHZYTSBKAFH-UHFFFAOYSA-N 432.196 4.451 5 20 IIBD CC(C)(C)N1CCC(Nc2ccc([N+](=O)[O-])c(NC3CCN(C(C)(C)C)CC3)n2)CC1 302904161 RTQOWKALFRJWTQ-UHFFFAOYSA-N 432.613 4.339 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 303733093 ZXMNMSBACOILPM-IBGZPJMESA-N 445.435 4.266 5 20 IIBD O=C(CCSc1nnc(-c2ccc(OC(F)F)cc2)o1)Nc1ccccc1[N+](=O)[O-] 409847848 HPEZBVLNGBIZMR-UHFFFAOYSA-N 436.396 4.367 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CCC[C@@H](Nc4ccccc4)C3)cc2)c(C)c1[N+](=O)[O-] 426684642 ALEGNDWLMPGYHK-JOCHJYFZSA-N 433.512 4.173 5 20 IIBD O=C(c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)N1CC[C@@](O)(C2CC2)C1 428173388 YUBAREKQOUNXQP-NRFANRHFSA-N 441.534 4.343 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCO[C@H](c2ccccc2Cl)C1 431930018 CCIKWSQQDSMBIP-INIZCTEOSA-N 425.666 4.224 5 20 IIBD COc1ccccc1-c1noc(C2CCN(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2)n1 432981288 BNJDLCJPAQJLBM-UHFFFAOYSA-N 437.456 4.373 5 20 IIBD COc1cc([C@H](C)NC(=O)c2cccc(OC)c2[N+](=O)[O-])ccc1OCc1ccncc1 435552157 ZALPPCGKTICZIN-HNNXBMFYSA-N 437.452 4.077 5 20 IIBD CN(C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[C@H](c1cccc(F)c1)c1cnn(C)c1 436359742 HLNLDBYDPMAFCG-XMMPIXPASA-N 440.478 4.416 5 20 IIBD Cc1ccsc1S(=O)(=O)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 437300540 CYQBJFRPROKDKG-UHFFFAOYSA-N 430.467 4.211 5 20 IIBD O=C(CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1)N1CCCCC1 437360784 AZFPXAVFEFVJEY-UHFFFAOYSA-N 435.402 4.273 5 20 IIBD C[C@@H]1CN(c2ccc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc3)cn2)C[C@@H](C)O1 440592101 ADAPAGXKVLJVKO-RTBURBONSA-N 446.507 4.450 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H](C)SCC(=O)Nc3ccc(C)cc3)n2)c1 445581854 DDLCDPRVJHXVOU-CQSZACIVSA-N 442.497 4.319 5 20 IIBD C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ncc(-c2ccccc2)o1 447018873 AMMKJUTWNOMEBW-NSHDSACASA-N 441.387 4.308 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)c(Br)c1 447030709 VLZMFSCAPDSOHO-UWVGGRQHSA-N 445.257 4.004 5 20 IIBD CCn1nccc1C1CCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CC1 447730003 PAGZLFFQMMPCLZ-UHFFFAOYSA-N 436.462 4.196 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1[N+](=O)[O-])c1ccccn1 448196297 JLKBAOQHMMANPB-LTMIRXACSA-N 449.555 4.252 5 20 IIBD CNC(=O)c1cc(Oc2ccc(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)cc2F)ccn1 461238423 ZBDISUIAFDKWRK-UHFFFAOYSA-N 449.398 4.014 5 20 IIBD CC[C@H](c1ccccc1)c1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1C[C@@H]1CCOC1 461560740 MLZQMJQEBFNPKX-SIKLNZKXSA-N 449.555 4.444 5 20 IIBD CN(CC(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccccc1[N+](=O)[O-] 463360335 KBOCLMWFGRXXRG-HXUWFJFHSA-N 428.492 4.461 5 20 IIBD CSc1ccc(C(=O)NC[C@H](C)Oc2ccc(Br)cc2)cc1[N+](=O)[O-] 464632138 WHMGGWWTONLFAR-NSHDSACASA-N 425.304 4.277 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)F 466505919 SPNYONZJFAUWQF-UHFFFAOYSA-N 437.790 4.418 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)c(Cl)cc2F)cc1OC 466568917 YODDFUOCIBITMV-UHFFFAOYSA-N 433.219 4.327 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 467226108 BJSVHEYLUVEWAH-QGZVFWFLSA-N 441.818 4.133 5 20 IIBD Cc1c(COc2ccccc2)cccc1NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 471463588 ZDPSUVMKEDTFGS-UHFFFAOYSA-N 434.448 4.435 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@]2(C1)OCc1ccccc12 471597795 HLGNDIQWULWCKP-LJQANCHMSA-N 438.427 4.364 5 20 IIBD O=C(Nc1ccc(F)cc1-c1nc(C2CC2)no1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 471627966 SVXJLLAEBPFFCT-UHFFFAOYSA-N 434.387 4.099 5 20 IIBD C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 473617858 MFYVALCNNBDITA-SUZVAJBCSA-N 427.429 4.159 5 20 IIBD O=[N+]([O-])c1cc(Br)cnc1N1CCO[C@H](c2cccc(Br)c2)C1 474776816 PVJDYRCIXUTRDL-AWEZNQCLSA-N 443.095 4.093 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1Cc1ccccc1 478096334 MEQAEKZDEVRYMQ-UHFFFAOYSA-N 437.883 4.136 5 20 IIBD CSc1ccc(C(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc1[N+](=O)[O-] 478458533 WRBCBXVXRACNHE-CYBMUJFWSA-N 434.823 4.452 5 20 IIBD CCc1cc(Br)ccc1NC(=O)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 478952282 LCDNZAAAUGCTNC-LBPRGKRZSA-N 434.290 4.044 5 20 IIBD COc1cc(OCC(=O)N2CCC[C@@H]2c2nc3ccccc3n2C(C)C)ccc1[N+](=O)[O-] 479960227 NVSXUVZYRLQUKK-HXUWFJFHSA-N 438.484 4.277 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2CC2)c2cc(F)ccc21 484340861 HSUYKVRILAMDOY-UHFFFAOYSA-N 431.489 4.102 5 20 IIBD C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 488539928 UXYXTOIQSKPMBP-QGZVFWFLSA-N 440.500 4.104 5 20 IIBD COc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1OC1CCCC1 488767960 YVDZEAXQDDRTOG-UHFFFAOYSA-N 440.905 4.057 5 20 IIBD COc1cc(C(=O)Nc2cccc(S(=O)(=O)C3CCCCC3)c2)cc([N+](=O)[O-])c1C 491356201 KUXGUBGFRVOIRG-UHFFFAOYSA-N 432.498 4.271 5 20 IIBD CC(C)c1ccc2c(c1)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)CC2 494249200 YOBLBGPOGYPWQH-ROUUACIJSA-N 427.526 4.188 5 20 IIBD CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 497797408 ATGXNHCPNYCBPL-UHFFFAOYSA-N 433.289 4.426 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C 498416354 ZFVYDJCCOJFQTB-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2ccccc2[N+](=O)[O-])cc1 500788806 VGADONOFXLHUPT-UHFFFAOYSA-N 428.448 4.386 5 20 IIBD O=C(NCc1ccccc1F)c1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 501337409 YAJOUZAXOFSTLZ-UHFFFAOYSA-N 448.454 4.491 5 20 IIBD C[C@H]1Cc2ccc(Br)cc2CN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 501422569 WDIUHWPIXVRRDM-LBPRGKRZSA-N 429.274 4.354 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)N(C(=O)NCC)CC2 503421997 XXYJTDASGVNFPI-UHFFFAOYSA-N 428.514 4.441 5 20 IIBD CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1ccc(S(=O)(=O)N2CCCC2)cc1 504899317 DUPBLQZUILBSON-GOSISDBHSA-N 449.598 4.040 5 20 IIBD CN1CCC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3Cl)C2)C1 505656472 FTFFJOHEKYGMJH-QHCPKHFHSA-N 442.947 4.418 5 20 IIBD Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2c2nc(-c3cccc([N+](=O)[O-])c3)no2)c(C)c1 508042292 OSTACKXVMZWVDS-SFHVURJKSA-N 442.497 4.096 5 20 IIBD Cc1nc2ccc(NC(=O)c3cc([N+](=O)[O-])cc(I)c3C)cc2o1 509146815 NLUZNHBUQNULFL-UHFFFAOYSA-N 437.193 4.210 5 20 IIBD COc1cc(CNC[C@H](c2ccccc2)N2CCc3sccc3C2)c([N+](=O)[O-])cc1O 509602647 PFYQZEWTRGXBNE-HXUWFJFHSA-N 439.537 4.260 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 509810707 XKXHJPILLSSWRF-SFHVURJKSA-N 442.859 4.244 5 20 IIBD CCN([C@@H](c1ccc(Cl)cc1)c1ccccn1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 510232888 BSHQVUHEMNEVQA-FQEVSTJZSA-N 431.901 4.443 5 20 IIBD O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)c1ccc([N+](=O)[O-])cc1Cl 512151846 HVDLNHWREQDJDX-GFCCVEGCSA-N 438.709 4.267 5 20 IIBD COc1ccccc1O[C@@H]1CCCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 513410967 IJIPPMDZGPGJOD-GDBMZVCRSA-N 433.892 4.127 5 20 IIBD C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 514227544 REVSAXOWGMGFQL-GTNSWQLSSA-N 426.803 4.452 5 20 IIBD COC(=O)c1ccc(CN(C)C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 514538923 XNCBVADOWRKZSR-UHFFFAOYSA-N 442.415 4.151 5 20 IIBD CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 515403277 BJPKRUPPHQUGNH-POZUXBRTSA-N 433.302 4.438 5 20 IIBD CCOC(=O)CN(C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)c1ccccc1F 515738984 AIEJVPNBKFWKLB-UHFFFAOYSA-N 443.475 4.180 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1 515847294 HBSKQZJLBQDVSF-UHFFFAOYSA-N 431.514 4.109 5 20 IIBD O=C(N[C@H](c1ccccc1)c1cccc(Cl)c1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 517557575 IXAQLHIBTNVOOT-OAQYLSRUSA-N 433.855 4.348 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@@]2(N(C)C)CCC[C@@H](C)C2)cc1[N+](=O)[O-])c1ccccn1 518807502 SUWOQEKJYXPSDO-NXMSCROESA-N 439.560 4.403 5 20 IIBD Cc1cc(F)c(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c(I)c1 519680419 MNBMIPDMXHLYOH-JTQLQIEISA-N 428.201 4.389 5 20 IIBD CCN(CC)[C@H](CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 520447538 JSUYGKLIOQRQMH-GOSISDBHSA-N 439.434 4.435 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)cc1SC 524641407 KIJVDYQJGIZABQ-ZDUSSCGKSA-N 435.933 4.378 5 20 IIBD CC[C@@](C)(NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)c1nc(C)cs1 525579779 MMRYZMPGRILMEJ-OAQYLSRUSA-N 427.530 4.277 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC([C@H](O)C(F)(F)F)CC1 531710617 HSEWNGRQJQNXIB-HNNXBMFYSA-N 434.212 4.045 5 20 IIBD Cn1c([C@@H]2CCCCN2CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])nc2ccccc21 533524958 YBMZBVOIHRLVQA-SFHVURJKSA-N 427.892 4.301 5 20 IIBD O=C(N=c1nc(-c2cccnc2)[nH]s1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 534440195 UZVBNWVGONIEKN-UHFFFAOYSA-N 435.490 4.334 5 20 IIBD COc1ccc([C@@H](C)NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1Br 534632168 QLQYQJNPSJIWRY-LLVKDONJSA-N 432.274 4.267 5 20 IIBD CSc1ccc(-c2nsc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)n2)cc1 535501554 LAPXJWVXBQLWSD-UHFFFAOYSA-N 425.495 4.498 5 20 IIBD CCOc1cc(C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)c([N+](=O)[O-])cc1OC 535669301 KOWJXOVOXGAOMV-UHFFFAOYSA-N 449.463 4.184 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 541069215 VWKPLBSUHPMNNO-HNNXBMFYSA-N 435.402 4.033 5 20 IIBD CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)Nc1ccc([N+](=O)[O-])cc1F 541784462 MVWMUWHGQCOJBU-UHFFFAOYSA-N 430.436 4.403 5 20 IIBD Cc1nc(-c2nc(Cc3ccccc3[N+](=O)[O-])no2)nn1-c1c(Cl)cccc1Cl 544914119 NJVHSMOITQTUDX-UHFFFAOYSA-N 431.239 4.432 5 20 IIBD CS[C@@H]1C(=O)Nc2ccc(-c3noc(CCCNc4ccc([N+](=O)[O-])cc4)n3)cc21 545089864 MXXWNOQXIUTBQZ-SFHVURJKSA-N 425.470 4.046 5 20 IIBD COc1ccc(CSCc2nc(-c3cccc(Cn4ccnc4)c3)no2)cc1[N+](=O)[O-] 545575773 MFRRGMLHZWSOLM-UHFFFAOYSA-N 437.481 4.332 5 20 IIBD Cc1ccc(C(=O)c2c(NC(=O)c3csc([N+](=O)[O-])c3)sc3c2CCN(C)C3)cc1 546106458 KFZVIJMXBUQLCM-UHFFFAOYSA-N 441.534 4.497 5 20 IIBD C[C@H]1CN(Cc2ccc(-c3nc(Cc4c[nH]c5ccc([N+](=O)[O-])cc45)no3)cc2)C[C@@H](C)O1 547194445 RRXTVMBAHMSEQU-IYBDPMFKSA-N 447.495 4.326 5 20 IIBD O=C(COc1ccc(OCC2CC2)c(Cl)c1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 549377643 HEQHPSIWGFLBPQ-UHFFFAOYSA-N 448.859 4.216 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ncnc2scc(-c3ccccc3)c12 550328519 UMHGUGFIKFYBFR-UHFFFAOYSA-N 426.479 4.376 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(Sc2nncs2)c(Cl)c1 551805475 RVIBEKVDACRBSH-UHFFFAOYSA-N 442.931 4.360 5 20 IIBD CC[C@@H](c1ccccc1)c1nnc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)s1 553040155 RIRCAELFMCESQD-SFHVURJKSA-N 434.481 4.426 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN(Cc3cccs3)[C@@H]3C=C[C@H](CO)C3)o2)c1 553937230 GTZYOFLLDAIMGZ-FUHWJXTLSA-N 425.510 4.293 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N1CC2(CCOC2)C1 554713124 WCPYUWOTIUSNFM-GZTJUZNOSA-N 435.505 4.384 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H]2CN(Cc3ccccc3)C[C@@H]2c2cnn(C)c2)n1 558336408 ABDZGMVLHCLJMR-YADHBBJMSA-N 444.495 4.070 5 20 IIBD COc1cc(OC)cc(C2(F)CCN([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)c1 558899803 YTZLDIJVWMECMK-INIZCTEOSA-N 445.491 4.208 5 20 IIBD CC(=O)Nc1ccc(NCc2cc(I)cc([N+](=O)[O-])c2)cc1Cl 562067967 CRAYGQROYLCDDL-UHFFFAOYSA-N 445.644 4.423 5 20 IIBD O=C(c1ccc(C(=O)N2CC[C@@H](CC3CC3)C2)c([N+](=O)[O-])c1)N1CC[C@@H](CC2CC2)C1 576334980 NEXOFGNHAHNSLL-OALUTQOASA-N 425.529 4.119 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(Cl)c2S(=O)(=O)C(C)C)c1 577563694 PNLNMATYWPOVDP-UHFFFAOYSA-N 428.919 4.405 5 20 IIBD COc1cc(CCNC(=O)N2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)c([N+](=O)[O-])cc1OC 582499063 FTRZKJUEYVFASM-ACDBMABISA-N 439.512 4.275 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 584025744 VFEALHNSSLNRPF-GOSISDBHSA-N 436.342 4.453 5 20 IIBD COCCOCc1cccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 603816300 SDGPLHDVZIGRFY-UHFFFAOYSA-N 427.501 4.246 5 20 IIBD O=C(N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)c1ccc([N+](=O)[O-])[nH]1 604078561 NZLFRMQISKBOEA-QGZVFWFLSA-N 429.358 4.337 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cn(Cc2ccc(Oc3ccc(Cl)cc3C)cc2)c1=O 609692919 ZLEYFWDMVHBBML-UHFFFAOYSA-N 428.828 4.346 5 20 IIBD CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 610293567 IWULSIURCZXMNL-GOSISDBHSA-N 441.450 4.257 5 20 IIBD COc1ccc([C@@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c2ccccc2)cc1 611199277 PJYNDYWSCWGPPA-QHCPKHFHSA-N 428.448 4.309 5 20 IIBD Cc1c(NC(=O)C(=O)N(C)[C@H](C)C2CCCCC2)cc(Br)cc1[N+](=O)[O-] 619839483 RASOZSAECWBSMJ-GFCCVEGCSA-N 426.311 4.031 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1I)c1cc(F)ccc1F 726027360 RJYZYFCKFZVCGB-QMMMGPOBSA-N 433.148 4.396 5 20 IIBD O=C(C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1)OCc1c(F)cccc1[N+](=O)[O-] 728993020 ALACIHSUDZVHCD-FQEVSTJZSA-N 438.411 4.044 5 20 IIBD Cc1cc(C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)c(N)c([N+](=O)[O-])c1 730286542 DYHLOTGPAKSSOV-MRXNPFEDSA-N 428.247 4.145 5 20 IIBD O=C(OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1cc2ccc(F)cc2s1 730702549 BPZKNVJJFNJJDX-OAHLLOKOSA-N 428.441 4.410 5 20 IIBD COc1ccc2cc(/C=C\C(=O)NCCc3cc(OC)c(OC)cc3[N+](=O)[O-])ccc2c1 733709107 KBNFAVJPBKEIEG-UITAMQMPSA-N 436.464 4.146 5 20 IIBD O=C(NC1(C(F)(F)F)CCCCC1)c1ccc(I)c([N+](=O)[O-])c1 735249228 SKLZPTNVBMVWQR-UHFFFAOYSA-N 442.175 4.194 5 20 IIBD C[C@@H](c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 742419719 MJIMSZVEIGQGIB-HNNXBMFYSA-N 428.920 4.024 5 20 IIBD O=C(OCC(=O)N(c1ccccc1)C1CCCCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 743128072 XUPWHFFMDKVFGU-UHFFFAOYSA-N 448.479 4.303 5 20 IIBD COc1ccc(CCC(=O)N2CCCN(c3cc(C)c([N+](=O)[O-])cc3Cl)CC2)cc1 747215331 SHXBYOWDHHKRGZ-UHFFFAOYSA-N 431.920 4.237 5 20 IIBD O=Cc1ccc([N+](=O)[O-])c(OCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)c1 748150405 BAMPFJFJKHQDPE-MRXNPFEDSA-N 441.490 4.287 5 20 IIBD CC(C)(C)OC(=O)Nc1cc2c(cc1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)OCO2 750077435 OBUURGWBSRSYBB-TWGQIWQCSA-N 427.413 4.322 5 20 IIBD CC(C)(C)OC(=O)NCCc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 751227614 GHPAKBTUXBSMEU-UHFFFAOYSA-N 433.892 4.245 5 20 IIBD CC(=O)N(c1nc(COC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cs1)C1CC1 751637461 YXMBZYRDDOPQBL-UHFFFAOYSA-N 441.918 4.056 5 20 IIBD CCn1c([C@H]2CCCN2S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)nc2ccccc21 752248762 WAFYMXBNXUGPNB-QGZVFWFLSA-N 448.932 4.452 5 20 IIBD Cc1cccc(CCCOCCOC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)n1 753002136 CBVGJKLTGSSAGE-UHFFFAOYSA-N 437.290 4.175 5 20 IIBD Cc1nc(-c2ccc(Br)cc2Cl)nn1C[C@@H](O)c1cccc([N+](=O)[O-])c1 755304260 CXDJIFNXPYZTLV-MRXNPFEDSA-N 437.681 4.311 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1cc(F)c([N+](=O)[O-])cc1F 755374638 JLRFJTFMFZZCSX-UHFFFAOYSA-N 427.319 4.265 5 20 IIBD O=C1Nc2cc(Cl)ccc2C1=C1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 755766072 KFSSKKWBWDZVFQ-UHFFFAOYSA-N 425.872 4.209 5 20 IIBD O=C(COC(=O)c1ccc(F)cc1[N+](=O)[O-])N[C@H](c1ccccc1)c1cccc(Cl)c1 758114554 NRDIZCXKZUMBTD-OAQYLSRUSA-N 442.830 4.450 5 20 IIBD COc1ccc(CNC[C@](C)(O)c2ccc(F)cc2)cc1OCc1ccc([N+](=O)[O-])cc1 758599856 KLUDGQRTQLWZRY-DEOSSOPVSA-N 440.471 4.319 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(NC(=O)c3ccccc3)c2C)c1F 760345074 RKVXOOCNEAPHBK-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2cccc(-n3c(C)nnc3S)c2)cc1[N+](=O)[O-] 765355950 LEIJWXMUJZNMTC-UHFFFAOYSA-N 448.302 4.096 5 20 IIBD CCCC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 766230206 FGIZJCXQQVHZJM-CQSZACIVSA-N 435.436 4.310 5 20 IIBD C[C@H]1Cc2ccc(Br)cc2CN1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 766388265 DSSZGARWGBCALW-ZDUSSCGKSA-N 428.290 4.020 5 20 IIBD Cn1cc(CNc2cc3c(cc2Br)OCCO3)c(-c2ccc([N+](=O)[O-])cc2)n1 767401979 VYODNFRAVUHMIX-UHFFFAOYSA-N 445.273 4.141 5 20 IIBD Cn1ccc(COC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])cc1=O 767739453 CCJRVJSIBVWGKY-UHFFFAOYSA-N 430.869 4.455 5 20 IIBD CN(C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])[C@@H]1CCCCNC1=O 767950487 VIMFUFRWOALBNV-MRXNPFEDSA-N 433.917 4.140 5 20 IIBD C[C@H]1CN(Cc2ccc(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)cc2)C[C@@H](C)O1 770325742 QSDOGUNOKRTPKP-OKILXGFUSA-N 448.317 4.219 5 20 IIBD Cc1csc(SCc2ccc(-c3nc(-c4c([N+](=O)[O-])nc(C)n4C)no3)cc2)n1 771462345 HIRUSBOVBOIIGV-UHFFFAOYSA-N 428.499 4.411 5 20 IIBD CC1(OCC(=O)O[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)CCC1 773212386 IFOYTVIAPHQWJU-LJQANCHMSA-N 432.860 4.430 5 20 IIBD COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1OC[C@@H](O)c1ccc(F)c(Br)c1 774649601 UQGGKAITWYTJKS-CQSZACIVSA-N 448.628 4.049 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Oc1ccc(NC(=O)c2cnn(C)c2)cc1 775241564 AXCCIHKKVNLKSN-UHFFFAOYSA-N 440.481 4.300 5 20 IIBD C[C@H]1Sc2ccc(C(=O)O[C@@H](c3cccnc3)c3ccccc3[N+](=O)[O-])cc2NC1=O 776137257 YYLNIOGFUHSKAU-XCLFUZPHSA-N 435.461 4.369 5 20 IIBD CCc1nc(C(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])nn1-c1ccccc1 776139977 XGSQPVQPIWYXHJ-OAQYLSRUSA-N 429.436 4.079 5 20 IIBD COc1ccc(-n2c(SC[C@@H](O)c3ccc([N+](=O)[O-])cc3)nnc2-c2ccco2)cc1 776276015 FXXHJWTWBJNHJB-GOSISDBHSA-N 438.465 4.270 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](NC[C@@H]1CCC=CO1)c1ccccc1 780331957 HQXIQDHLUGNSIX-LPHOPBHVSA-N 446.301 4.319 5 20 IIBD CC(C)(C)OC(=O)NC1(c2noc([C@@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)n2)CCCC1 781610834 TZCKOUAZLGXARM-INIZCTEOSA-N 443.460 4.138 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1c(F)cc(Br)cc1F 781684241 FCXAMPDPPQXYTD-UHFFFAOYSA-N 430.161 4.115 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)cc([N+](=O)[O-])c1F 782481310 AHDJEFUHDBTNLF-UHFFFAOYSA-N 439.371 4.309 5 20 IIBD C[C@@H](OC(=O)c1ccccc1-n1ncc(Cl)c(Cl)c1=O)c1ccccc1[N+](=O)[O-] 782564498 FKYCBJDBRJRCRC-LLVKDONJSA-N 434.235 4.366 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1ccc(F)nc1 785634269 JRUWYHQRTPLXFP-SFHVURJKSA-N 429.791 4.319 5 20 IIBD CCOC(=O)c1nc(-c2ccccc2)oc1COC(=O)Cc1ccc([N+](=O)[O-])cc1Cl 785955653 WHSNWUBECWAREX-UHFFFAOYSA-N 444.827 4.366 5 20 IIBD C[C@H](NC(=O)COC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)c1cccs1 787438011 WXQRQQNIZLMUIJ-OAGGEKHMSA-N 445.541 4.173 5 20 IIBD COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)OCc2ccc([N+](=O)[O-])cc2Br)c1 788194559 RMSBNOOOZPADLL-ZBFHGGJFSA-N 436.258 4.221 5 20 IIBD O=C(O[C@@H]1CCc2cccnc21)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 789675387 NIZFYSFACAHAQX-GOSISDBHSA-N 435.402 4.456 5 20 IIBD O=C(Cc1csc(-c2ccc(F)c(F)c2)n1)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 791808624 DQHLFJHGUNUZEK-UHFFFAOYSA-N 435.364 4.191 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)O[C@@H]2CCCOc3c(F)cccc32)ccc1[N+](=O)[O-] 797093126 OWOFTUVOYFOWIX-VQTJNVASSA-N 442.443 4.104 5 20 IIBD O=C(c1cn(-c2ccc(Cl)c(Cl)c2)cn1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 797411566 ZSVOAGSDCIQVAS-UHFFFAOYSA-N 446.294 4.050 5 20 IIBD O=C(Cc1cccc(C(F)F)c1)Nc1ccc([N+](=O)[O-])c(I)c1 801698902 MZTUVWKNMUNUGA-UHFFFAOYSA-N 432.164 4.318 5 20 IIBD CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C(=O)Nc2cccc(Br)c2)CC1 804402277 GHQRNBIDCJOFGV-UHFFFAOYSA-N 446.301 4.415 5 20 IIBD C[C@@H](OC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 808228577 UXTLOCYIPAUYOP-KZULUSFZSA-N 432.395 4.389 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCO[C@H](c3ccccc3)C2)c(Cl)cc1Cl 809815846 UMSCHVRCXHGDQL-INIZCTEOSA-N 431.297 4.054 5 20 IIBD O=C1N[C@@](c2ccccc2)(C(F)(F)F)C(=O)N1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 809956845 FTDKAKBGCBHSEB-MRXNPFEDSA-N 448.184 4.411 5 20 IIBD CCOc1ccc([C@H](O)C2CCN([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1 812864605 RPCFDBDTGVNOEV-SBUREZEXSA-N 441.528 4.075 5 20 IIBD O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 812873467 BXEPWVHWBLIERY-UHFFFAOYSA-N 442.686 4.153 5 20 IIBD NC(=O)c1cccc(Oc2ccc(NC(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])cn2)c1 812958686 LRTCJSMWUFQXEC-UHFFFAOYSA-N 447.234 4.440 5 20 IIBD Cc1ccc([C@@](O)(CC(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)C(F)(F)F)o1 815185885 ODDPCBVEELNETC-HNNXBMFYSA-N 441.280 4.398 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)c1 857840383 PQMWYKRQIJJBTD-CQSZACIVSA-N 429.498 4.101 5 20 IIBD CN(C)Cc1ccc(-c2ccccc2CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 881444957 WEZRSSKVPXZVPX-UHFFFAOYSA-N 434.452 4.162 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)OC2c3ccccc3Oc3ccccc32)cc1[N+](=O)[O-] 900718381 WMFHUDASFGOYNZ-UHFFFAOYSA-N 425.418 4.050 5 20 IIBD Cc1oc(-c2cccs2)nc1C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 915637061 FVHGRFAZTBAJOJ-OAHLLOKOSA-N 443.481 4.433 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NCc2ccccc2CN2CCCC[C@H]2C)c1[N+](=O)[O-] 917072294 FXIWRUMTVWIDOL-OAHLLOKOSA-N 428.489 4.290 5 20 IIBD CN(Cc1ccccc1CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C1CCCCC1 918381766 WRQFNWPDENBUMS-UHFFFAOYSA-N 435.528 4.025 5 20 IIBD CC(C)(C)n1ncc(C(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1C(F)(F)F 919203166 RTCJDBNSNVZGAM-UHFFFAOYSA-N 448.785 4.014 5 20 IIBD C[C@H](OC(=O)CCOc1ccc(Cl)cc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1 919490958 YZQPCBOOCLACQQ-NSHDSACASA-N 427.240 4.241 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1cccc(CO)c1 921224586 AXZTZMFVBYGFQQ-HXUWFJFHSA-N 440.839 4.277 5 20 IIBD CCOC(=O)c1c(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)sc2ccccc12 921278766 GHWJJLBXTDBNFM-UHFFFAOYSA-N 436.449 4.424 5 20 IIBD CCN1C(=S)N[C@H](c2csc(C(C)C)n2)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)=C1C 1251723715 CZFUZTXQWRYUQA-QGZVFWFLSA-N 445.570 4.339 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 1319904235 RWURBFIDIUVUDX-KPZWWZAWSA-N 434.290 4.159 5 20 IIBD CCc1ccc(-c2nnc(CN3CCN(Cc4ccc(Cl)cc4)CC3)o2)cc1[N+](=O)[O-] 1326335672 XFTWPRHLDHNUKA-UHFFFAOYSA-N 441.919 4.178 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(NCc3ccc([N+](=O)[O-])cc3Br)cc2)C[C@@H](C)O1 1342916085 RRIGBXZNEQPLNM-OKILXGFUSA-N 448.317 4.219 5 20 IIBD Cc1cnoc1C(=O)Nc1ccc(C2(NC(=O)CCc3cccc([N+](=O)[O-])c3)CCC2)cc1 1789979413 BNBNCSJFJKLYTM-UHFFFAOYSA-N 448.479 4.272 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)C34CC(F)(C3)C4)CCC2)cc1)c1cc(F)cc([N+](=O)[O-])c1 1790695975 YIPQDNINKKOUQR-UHFFFAOYSA-N 441.434 4.374 5 20 IIBD C/C=C(/C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3F)cc2)CCC1 1791183551 GDWHONRWYSWQJS-CQPUUCJISA-N 425.460 4.377 5 20 IIBD Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2(C)CCCC2)cc(Cl)cc1[N+](=O)[O-] 1792670942 AFPCJLCKFNLLPF-BJWYYQGGSA-N 433.936 4.389 5 20 IIBD CC[C@H](C(=O)N1CCC2(CCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)CC1)c1ccccc1 1804646360 XVXPEOCFLRFNRX-IBGZPJMESA-N 439.512 4.226 5 20 IIBD CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3cccc([N+](=O)[O-])c3)[nH]n2)CCC1 1814399672 RCCWHDKHAMUGNZ-IBGZPJMESA-N 439.516 4.133 5 20 IIBD CC(C)(C)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])[nH]n1 1816761367 IKCYIRHAEYHCMK-CVTTXWKISA-N 439.516 4.460 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(C)C)sc2C1 1825142545 URMMVCLPTAMUMQ-CYBMUJFWSA-N 448.520 4.161 5 20 IIBD CC(C)/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 1831293005 LLYAHKHZCYCDDO-MECCDNJOSA-N 445.535 4.108 5 20 IIBD O=C(C1=CCCC1)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1832902937 GKCICDCPCPSVNJ-GNNUASRNSA-N 437.540 4.338 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1 9248552 LXANUBCMMPCUKU-UHFFFAOYSA-N 442.859 4.155 5 20 IIBD O=C(COC(=O)CCCOc1ccc(Cl)cc1Cl)Nc1ccc(F)c([N+](=O)[O-])c1 10728708 FVQMMCAIASMFQI-UHFFFAOYSA-N 445.230 4.382 5 20 IIBD O=C(COC(=O)c1cc(Br)ccc1Cl)Nc1ccc([N+](=O)[O-])cc1Cl 11481382 DUTDGPLWGHSUJN-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1cc(F)c(F)cc1Cl)c1ccccc1[N+](=O)[O-] 14376321 KIIRMKIYGHHQPX-INIZCTEOSA-N 426.803 4.339 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Oc2ccccc2C(=O)Nc2ccccc2)c1C 15323874 MGINPVPGESUADM-UHFFFAOYSA-N 426.450 4.232 5 20 IIBD NC(=O)CSc1ccccc1NC(=O)COC(=O)c1c2ccccc2cc2ccccc12 17528997 YSNHNIGKLSPEAF-UHFFFAOYSA-N 444.512 4.366 5 20 IIBD COc1cc(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1OC(C)C 17536153 XONOMEOJOFRJOX-CYBMUJFWSA-N 427.413 4.359 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NCc1ccc(F)cc1 19199811 BWINYCNXIAHSSR-UHFFFAOYSA-N 430.439 4.446 5 20 IIBD Cc1csc(Sc2ccc(C(=O)OCc3nnsc3Cl)cc2[N+](=O)[O-])n1 24075473 AORCTFMHXYVYRW-UHFFFAOYSA-N 428.904 4.373 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1OC 28247133 XSVQEDYCDFOPAZ-UHFFFAOYSA-N 443.437 4.107 5 20 IIBD O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 46688275 RGJVRWPZMCWFJX-UHFFFAOYSA-N 442.686 4.153 5 20 IIBD CCOc1cc(C(=O)NCc2ccccc2CN2CCCC[C@H]2C)c([N+](=O)[O-])cc1OC 58952611 XWZGSIPBIVFQJD-QGZVFWFLSA-N 441.528 4.307 5 20 IIBD CN(Cc1ccccc1OC(F)(F)F)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 64787648 RAHCYSDOQYXAMJ-UHFFFAOYSA-N 434.374 4.166 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccc(N3CCCC3)cn2)cc1[N+](=O)[O-])c1ccccn1 64862865 WMPOWJAJNQKVDX-MRXNPFEDSA-N 432.484 4.410 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCN(C/C=C/c2ccccc2)CC1 65308389 FRWZUOYKRWCQST-VMPITWQZSA-N 434.521 4.190 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1-n1cccc1 78552005 MBGZMBMHBSUKTQ-UHFFFAOYSA-N 441.387 4.214 5 20 IIBD CCOc1cc(/C=C2\N=C(c3ccc(OC)c([N+](=O)[O-])c3)OC2=O)cc(Cl)c1OC 98053530 SFBCXXSRUUCXCQ-ZSOIEALJSA-N 432.816 4.009 5 20 IIBD COc1ccccc1[C@@H](CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)N1CCCCC1 237212700 WAQJVHWUJQOBCK-HSZRJFAPSA-N 449.555 4.321 5 20 IIBD COc1ccc(-c2ccc(CNCc3cccc(CN4CCCC4=O)c3)o2)c([N+](=O)[O-])c1 237421473 FUTROIRAIOMSLB-UHFFFAOYSA-N 435.480 4.276 5 20 IIBD O=C(c1cc(NCC2(c3ccc(F)cc3)CCOCC2)ccc1[N+](=O)[O-])N1CCCC1 301121796 YIFDTNSADZGEML-UHFFFAOYSA-N 427.476 4.130 5 20 IIBD O=c1c(Cl)c(NC[C@H](c2ccccc2)N2CCCC2)cnn1-c1ccc([N+](=O)[O-])cc1 301172424 KJZKRMHJISIJHD-HXUWFJFHSA-N 439.903 4.043 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NCc1nnc(-c2ccccc2)s1 301649870 PNDCPIWAISFADB-UHFFFAOYSA-N 444.416 4.019 5 20 IIBD Cc1ccc(C)c(OCc2nnc(Sc3ncc(Br)cc3[N+](=O)[O-])o2)c1 301686173 LRDJTHIMDQQRNE-UHFFFAOYSA-N 437.275 4.482 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC2(CCN(C)CC2)Oc2ccccc21 301749636 OVDHJBORGGNBHD-UZLBHIALSA-N 441.553 4.180 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)c1ccccc1[N+](=O)[O-] 303930641 VJGXDMMQYNABGP-JZXOWHBKSA-N 432.423 4.176 5 20 IIBD O=C(Nc1ccc(OCC(F)(F)F)c(Cl)c1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 410395558 CUHMFSASRIOHHP-UHFFFAOYSA-N 441.753 4.022 5 20 IIBD COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 425969608 BCDVZVXKFLXRFH-QGZVFWFLSA-N 444.919 4.210 5 20 IIBD CC(C)(O)CN(Cc1ccccc1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 426280959 WMKRFIWHXDYUKZ-UHFFFAOYSA-N 425.407 4.096 5 20 IIBD Cc1ccc([C@H](C)NC(=O)c2cc(O)nc3c(Br)cccc23)cc1[N+](=O)[O-] 426961143 XTHLKPTXZPIGBD-NSHDSACASA-N 430.258 4.411 5 20 IIBD COc1cc(C(=O)N2CC3(CCC3)[C@H]2C2CC2)c([N+](=O)[O-])cc1OCc1cscn1 427594423 QFXPLMMVRYEJBQ-LJQANCHMSA-N 429.498 4.044 5 20 IIBD C[C@H]1CCCN(Cc2ccc(NC(=O)COc3ccc([N+](=O)[O-])c4cccnc34)cc2)C1 427917899 WKLZNXKVIJVMDD-KRWDZBQOSA-N 434.496 4.392 5 20 IIBD O=C1NC2(CCCC2)C(=O)N1c1cccc(CNc2ccnc3c([N+](=O)[O-])cccc23)c1 432175234 GBNWGLIZNXSLEL-UHFFFAOYSA-N 431.452 4.124 5 20 IIBD O=C(NCCOc1ncc(Cl)cc1Cl)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437984940 HSXBDCTWDYEPLQ-UHFFFAOYSA-N 425.272 4.050 5 20 IIBD O=C(c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2)N1CC[C@@H](CO)C1 438586477 UNWBPBJDAWLNSE-ZJYZBMPFSA-N 443.503 4.474 5 20 IIBD Cc1cc(-c2ncccc2NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cs1 438662393 CQMUYROKOYLVKM-UHFFFAOYSA-N 438.509 4.402 5 20 IIBD Cc1c(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)cnn1-c1cccc(C(F)(F)F)c1 440628540 XCIORIWZTQJVSP-UHFFFAOYSA-N 441.369 4.908 5 20 IIBD Cc1cc(NC(=O)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc(C)c1Cl 443309465 GTQZLHTYNPXPQI-UHFFFAOYSA-N 429.782 4.139 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 443954964 DSHNECMXVHOHJV-HNNXBMFYSA-N 433.306 4.375 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc(SC)cc3)ns2)cc1OC 443995328 VQKUSABBVOJHPM-UHFFFAOYSA-N 446.510 4.495 5 20 IIBD Cc1nn(-c2ccccc2)cc1CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444299957 DWBITZKXXQMOIO-UHFFFAOYSA-N 444.441 4.384 5 20 IIBD O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1C[C@@H](CO)[C@H](c2ccc(Cl)cc2)C1 461274298 WVCPSOXDFUFDNE-KKSFZXQISA-N 432.907 4.183 5 20 IIBD C[C@@H](c1ccc(F)c(F)c1)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 461583462 VVAPHUAARVFCMA-LSDHHAIUSA-N 443.454 4.365 5 20 IIBD Cc1cc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] 461731175 PDFLKDCAIOKBKP-UHFFFAOYSA-N 425.382 4.460 5 20 IIBD C[C@@H](CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)Oc1ccccc1F 463925595 KGZBJSNYHIMQFS-JKSUJKDBSA-N 438.459 4.499 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl 464243486 UPEWOZDESCGODI-HSZRJFAPSA-N 438.867 4.468 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ccccc1N1CCc2ccccc21 465027057 DWOXXQKTRCNMSM-UHFFFAOYSA-N 431.448 4.241 5 20 IIBD COCCCn1ccc(NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])n1 466867658 QHLZZKAHEMRLPL-UHFFFAOYSA-N 446.916 4.885 5 20 IIBD O=C(CCCNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(Cl)cc1 467224801 XVIHTKVFWXQNFQ-UHFFFAOYSA-N 425.272 4.120 5 20 IIBD Cc1ccc(CNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c(OCCCC(C)C)c1 472631079 LVPMRHVPRZCVLD-UHFFFAOYSA-N 431.464 4.112 5 20 IIBD COc1cc(N[C@@H]2CCCN(C(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)C2)cc(OC)c1 475737670 MLIWVGPPHBLBSP-HZPDHXFCSA-N 445.541 4.196 5 20 IIBD COC(=O)c1cccc(OCc2noc(-c3csc(-c4cccc([N+](=O)[O-])c4)n3)n2)c1 476920241 FGUNTWDBTUSDHW-UHFFFAOYSA-N 438.421 4.134 5 20 IIBD C[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)cn1 477785710 CYHSUMSGNGAIEB-JTQLQIEISA-N 428.670 4.052 5 20 IIBD COc1cccc(CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1OC1CCCC1 479720885 ZHFDOGVXKKFDAN-UHFFFAOYSA-N 436.468 4.041 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)c1[N+](=O)[O-] 480208406 ITLJKRLOKQTXEW-UHFFFAOYSA-N 446.529 4.420 5 20 IIBD Cc1ccc(Cn2cccc(NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)c2=O)cc1 480796942 YZWQQZWVQXNRNN-UHFFFAOYSA-N 432.480 4.310 5 20 IIBD COc1cc(CN[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F 481192545 SRTLSDNSYMSONQ-VQIMIIECSA-N 449.498 4.248 5 20 IIBD COC(=O)c1csc(-c2cccc(CNC(=O)c3cccc(SC)c3[N+](=O)[O-])c2)n1 481907741 VOFJBSPNPDMXJS-UHFFFAOYSA-N 443.506 4.157 5 20 IIBD C[C@@H](O)[C@@](C)(CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccccc1 482174270 YLDLVAGOALRZIK-IVZQSRNASA-N 425.510 4.078 5 20 IIBD COc1ccc(Br)c(CNC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])c1 483037235 BYNAEXAGEYHZDP-UHFFFAOYSA-N 441.303 4.026 5 20 IIBD COc1c(C(=O)Nc2ccc(Br)cc2Br)cccc1[N+](=O)[O-] 483041767 OROKBISMXRYASF-UHFFFAOYSA-N 430.052 4.381 5 20 IIBD COc1cc(CNc2ncc([N+](=O)[O-])cc2Br)ccc1OCC(F)(F)F 485182170 IJBFFAPBWZSSKB-UHFFFAOYSA-N 436.184 4.314 5 20 IIBD O=C(NCc1cccc(N2CC=CC2)c1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 485517456 PMHXLAJKBWDUCP-UHFFFAOYSA-N 429.476 4.480 5 20 IIBD CCn1c(SCc2nc(-c3ccc(F)c(F)c3)no2)nnc1-c1ccc([N+](=O)[O-])cc1 486640194 RMHKRAFCDDBLNA-UHFFFAOYSA-N 444.423 4.494 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1csc(-c2ccccc2)n1 489224924 JLSQMRQOLAEGDY-UHFFFAOYSA-N 443.550 4.429 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 490431118 XXZHNVIGICEHCD-GUYCJALGSA-N 444.431 4.073 5 20 IIBD C[C@H](NC(=O)N(C)CCc1ccccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccncc2)cc1 497398017 XKOAFRGQKMMEPF-KRWDZBQOSA-N 447.495 4.187 5 20 IIBD CC1CCN(C(=O)c2ccccc2NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 497795846 RRZSEXSAVGITOJ-UHFFFAOYSA-N 433.411 4.321 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC(CCN(C)C)CC3)cc2[N+](=O)[O-])n1 498597466 HUFSAAZXIDZPJG-UHFFFAOYSA-N 434.587 4.315 5 20 IIBD Cc1ccc(OCCCCNC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 500479931 CQMIEYYDWPMIFV-UHFFFAOYSA-N 436.512 4.354 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCOc1ccc(C(F)(F)F)cc1 501902709 YXTLYQPDNNCZIG-UHFFFAOYSA-N 440.421 4.369 5 20 IIBD O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 502050748 RPVMTIQWWGLGSU-FQEVSTJZSA-N 425.485 4.008 5 20 IIBD CCCOc1ccc(CNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cn1 502557763 FETQTAHDBUCZHX-UHFFFAOYSA-N 429.420 4.206 5 20 IIBD C[C@H](NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1nc(-c2ccccc2)cs1 502644832 UDWXASGLGBICAZ-INIZCTEOSA-N 437.525 4.311 5 20 IIBD CCOc1ccc([C@H](C)N[C@@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)cc1[N+](=O)[O-] 504927116 MSYMUNNTLQDFNC-IRXDYDNUSA-N 449.573 4.436 5 20 IIBD O=C(c1ccc(Cl)cc1)N1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 506339194 GQPDJKQHTIYCHH-UHFFFAOYSA-N 442.928 4.330 5 20 IIBD O=C(c1cccc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)c1)N1CCc2ccccc2C1 506747326 BTQHUWROSXHIGB-UHFFFAOYSA-N 446.459 4.239 5 20 IIBD CCOCCCNC(=O)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 507115600 KPTFTJTYXWLKRO-UHFFFAOYSA-N 449.935 4.263 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 509815428 SXEIZOQJBVLIER-KRWDZBQOSA-N 442.859 4.244 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 510239688 JDSTXHZWKQLFAN-KRWDZBQOSA-N 440.569 4.246 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1C[C@]12CCc1cc(Br)ccc12 513008569 HSQRZRYNKJPBMH-CTNGQTDRSA-N 429.314 4.262 5 20 IIBD CC(C)[C@H](CN[C@H](c1cccc([N+](=O)[O-])c1)c1nccn1C)N1CCc2ccccc2C1 513665713 HGPLFFHQOWKQJN-BJKOFHAPSA-N 433.556 4.090 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(COCCOc2ccccc2)c1 515628641 JVZRBHFPNUPUNR-UHFFFAOYSA-N 442.493 4.300 5 20 IIBD COc1cc(CCNC(=O)N2CCC(=Cc3cccc(F)c3)CC2)c([N+](=O)[O-])cc1OC 515787240 JCPLRJQIBIGTBG-UHFFFAOYSA-N 443.475 4.183 5 20 IIBD C[C@@H](C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccccc1F 518736009 CFSATKBKGGTISC-CYBMUJFWSA-N 425.382 4.205 5 20 IIBD COc1cc(CCNC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)c([N+](=O)[O-])cc1OC 520335498 ZIADQEWUTVHRST-ZIAGYGMSSA-N 439.295 4.381 5 20 IIBD Cc1nc2ccc(Br)cc2c(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1C 525707200 PYNJTDWUJVWZKV-UHFFFAOYSA-N 442.317 4.244 5 20 IIBD CN(CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)CC(F)F 527007310 WANIEPDJEWSQJX-UHFFFAOYSA-N 440.878 4.129 5 20 IIBD Cc1cccnc1NC(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 527501209 SNJNLBBRMHTJCX-UHFFFAOYSA-N 437.525 4.376 5 20 IIBD Cc1c(CCC(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)cnn1C 535402901 FAIIXSRCLDFIJA-UHFFFAOYSA-N 446.866 4.471 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CN3CCO[C@H](c4cccc(OC(F)F)c4)C3)co2)cc1 536342004 ZLSRCQCMEOLQHD-IBGZPJMESA-N 431.395 4.425 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(-c3n[nH]c(C)n3)c(Cl)c2)c([N+](=O)[O-])cc1OC 537211525 IPCKZSCUTUQBEK-UHFFFAOYSA-N 431.836 4.001 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)c1 537362474 KDHPTDZYCXAJKP-HNNXBMFYSA-N 434.876 4.380 5 20 IIBD CCC[C@@H](NCc1ccc(S(=O)(=O)N(CC)CC)s1)c1cccc([N+](=O)[O-])c1 539043027 LQIBDSHYIWXVLV-GOSISDBHSA-N 425.576 4.318 5 20 IIBD CCOc1cc(Sc2nnc([C@@H](C)N(C)C)n2-c2ccc(F)cc2)ccc1[N+](=O)[O-] 539994703 PLGSZYYIKHPQDY-CYBMUJFWSA-N 431.493 4.487 5 20 IIBD CCOc1cc(NC(=O)N2CCO[C@@H](CCc3ccccc3)C2)c([N+](=O)[O-])cc1OCC 541713503 MNSPUNKOFDYQPJ-SFHVURJKSA-N 443.500 4.258 5 20 IIBD CCC[C@@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 541738836 SQWIRFKKNBNHDJ-GOSISDBHSA-N 431.514 4.190 5 20 IIBD COC(=O)C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccc(OC(F)(F)F)cc1 541787231 KQSKPEYJSPNXLB-OAHLLOKOSA-N 445.325 4.058 5 20 IIBD CN(C(=O)COc1ccc([N+](=O)[O-])c2cccnc12)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 542681975 DDQKAVSPSOHFGE-UWJYYQICSA-N 439.443 4.040 5 20 IIBD Cc1nc(-c2cc([C@@H](C)NCCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cs2)cs1 542683958 ZCJQCUNVOYRCHT-GFCCVEGCSA-N 437.568 4.213 5 20 IIBD O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1Cc1ccc(Br)c2cccnc12 543149291 LJKVUJITGDGPFO-UHFFFAOYSA-N 437.253 4.178 5 20 IIBD O=C(Nc1nccc2sccc12)c1ccc([N+](=O)[O-])cc1I 543388965 FIAVPRJMZHVSEC-UHFFFAOYSA-N 425.207 4.061 5 20 IIBD C[C@H](NC(=O)N=c1cc[nH]cc1[N+](=O)[O-])c1nc(-c2ccc(Br)cc2)cs1 543766434 MOWWKBJGBUVAPQ-JTQLQIEISA-N 448.302 4.180 5 20 IIBD O=[N+]([O-])c1ccccc1OC[C@@H](O)CSc1nnc(-c2ccco2)n1C1CCCCC1 544048398 RWGBECJJUYQPJX-MRXNPFEDSA-N 444.513 4.484 5 20 IIBD NC(=O)c1ccc(Oc2ccc(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3O)cc2)cc1 544660407 PVBHJNNDXAVQCM-UHFFFAOYSA-N 427.800 4.097 5 20 IIBD C[C@H](Nc1ccc(-c2nc(-c3ccc4nc(O)[nH]c4c3)no2)cc1[N+](=O)[O-])c1ccccn1 545029492 IQGRIUUIIWTGOM-LBPRGKRZSA-N 443.423 4.462 5 20 IIBD CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F 546537180 LPQXRMPLLMBKAY-UHFFFAOYSA-N 440.374 4.000 5 20 IIBD C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCCO2)CC12CCC2 549643687 MIOCFVWHYQLALF-YLJYHZDGSA-N 425.533 4.439 5 20 IIBD O=C(NCC[C@@H](c1ccccc1)C(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 556647999 ITDNOZHFKPWSFG-ZDUSSCGKSA-N 429.782 4.039 5 20 IIBD CCc1[nH]nc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)c1[N+](=O)[O-] 568676693 NLYFSDKWDKMQEP-UHFFFAOYSA-N 425.392 4.199 5 20 IIBD CCn1c(SCC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])nnc1-c1cccc(C)c1 572491251 CBWDAWBKMCMVSU-UHFFFAOYSA-N 439.541 4.325 5 20 IIBD C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 575203898 NBISFLPSFDBWKW-SJORKVTESA-N 445.947 4.338 5 20 IIBD CC(C)c1[nH]nc(C(=O)NCC2(c3ccc(Br)s3)CCC2)c1[N+](=O)[O-] 586857810 IWQVWMHROBOHJQ-UHFFFAOYSA-N 427.324 4.117 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1cc(Br)c2ccccc2c1 590347947 SCHGYTZGMIUPHX-UHFFFAOYSA-N 425.242 4.317 5 20 IIBD Cc1cc(NC(=O)c2cccc(OCc3cccnc3)c2)n(-c2ccc([N+](=O)[O-])cc2)n1 603751976 XOFDQYCZOCJPKL-UHFFFAOYSA-N 429.436 4.315 5 20 IIBD COc1ccc(CNCc2c(C)nn(-c3ccc(Br)cc3)c2C)cc1[N+](=O)[O-] 604473823 QRLCTQVSPRTJPC-UHFFFAOYSA-N 445.317 4.458 5 20 IIBD Cn1c([C@H]2CCCN2C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)nc2ccccc21 604481230 WPWYKYLGWPZSIR-JOCHJYFZSA-N 433.512 4.062 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN(Cc1cc(Br)ccc1F)C1CC1 604492681 FIUWUSSEPTVSML-UHFFFAOYSA-N 436.281 4.408 5 20 IIBD O=C(Nc1ccc(F)cc1)[C@H]1CCc2ccccc2N1C(=O)Cc1ccccc1[N+](=O)[O-] 608871945 HLBVTFBAPGKKIS-JOCHJYFZSA-N 433.439 4.263 5 20 IIBD Cc1ccsc1CNC(=O)c1ccc(C(=O)NCc2sccc2C)c([N+](=O)[O-])c1 609044034 RPQVPPAGLULGKE-UHFFFAOYSA-N 429.523 4.195 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(OCc3cccc(F)c3)cc2C)c([N+](=O)[O-])c1 609068386 FRCSYLIDPVVXBE-UHFFFAOYSA-N 446.456 4.431 5 20 IIBD CC(C)(C)c1ccccc1OCCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 609409560 XWIOTIDIBZCAOX-UHFFFAOYSA-N 425.529 4.304 5 20 IIBD CCCOc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 609501491 UQURAVXZJBMHIU-AWEZNQCLSA-N 437.905 4.342 5 20 IIBD C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 609509370 TYYRJRZCGNZHPN-VLIAUNLRSA-N 426.860 4.036 5 20 IIBD CSc1ccc(C(=O)Nc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)cc1[N+](=O)[O-] 609602615 NTBYKQZQTMPLJL-UHFFFAOYSA-N 449.535 4.096 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)ccc1[N+](=O)[O-] 609661624 YRAHSXHXWMLCAT-UHFFFAOYSA-N 443.456 4.024 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 609793925 ZVWVCYWZZWAJEH-INIZCTEOSA-N 441.837 4.200 5 20 IIBD O=C(NCCOc1cccc(F)c1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 609855253 TYBJNWRCXINOIH-UHFFFAOYSA-N 439.230 4.035 5 20 IIBD CCOc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2Br)cc1OCC 609961996 RDPBDQVZKYYYRI-UHFFFAOYSA-N 439.262 4.172 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCC[C@@H](N3CCCC3)CC2)cc1[N+](=O)[O-])c1ccccn1 609977466 LFXDHMMUJUNFHG-AZUAARDMSA-N 437.544 4.253 5 20 IIBD O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 610066343 VEDQDSDTPFNWEG-CYBMUJFWSA-N 435.249 4.232 5 20 IIBD Cc1c(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)oc2c1ccc1ccccc12 610118333 SVHZPKRQFRTRRE-UHFFFAOYSA-N 443.459 4.401 5 20 IIBD CCCc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)nnn1Cc1cccc(Br)c1 610168584 IEADNIWTMFTMCS-UHFFFAOYSA-N 444.289 4.202 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)N1CCCC(C)(C)CC1 610205779 UMHWOUZNHHIFMM-UHFFFAOYSA-N 445.541 4.356 5 20 IIBD COc1cc(CNc2ccc3c(c2)oc(=O)n3C)ccc1OCc1ccc([N+](=O)[O-])cc1 610910718 VNRIHXFLTMYVRZ-UHFFFAOYSA-N 435.436 4.239 5 20 IIBD COCCN(C(=O)C[C@@H](C)c1c(C)noc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 611091016 HRXWBUHTIFVYFU-CYBMUJFWSA-N 444.513 4.496 5 20 IIBD Cc1cc(C)c(NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cc1O 613032628 ZSIQAQBUIDKPOT-UHFFFAOYSA-N 433.464 4.467 5 20 IIBD CC(C)[C@@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccccc1 725984190 FNABDBGRIUJDME-GOSISDBHSA-N 435.274 4.028 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(CC[C@H](O)c2ccccc2)cc1 727359917 DBJUAFWSZKYFAE-NRFANRHFSA-N 426.494 4.370 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCO[C@@H](c3cccc(F)c3)C2)CC1 727395735 NSVIIDHYDVTDDJ-JOCHJYFZSA-N 427.476 4.184 5 20 IIBD O=C(Nc1c(F)cccc1F)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727585899 LCXUQUAAMGHJON-UHFFFAOYSA-N 430.333 4.246 5 20 IIBD COc1ccc(Cl)cc1NC(=O)c1ccc(I)c([N+](=O)[O-])c1 727746164 DKMCKJUHAXWJNP-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD C[C@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)N1c2ccccc2C[C@@H]1C 728340227 JLMIWUMGJDDYAV-KBPBESRZSA-N 437.477 4.241 5 20 IIBD COc1ccc(COC(=O)CSc2nnc(-c3cccs3)n2C2CC2)cc1[N+](=O)[O-] 728635851 KQWDPRSUNNLPMK-UHFFFAOYSA-N 446.510 4.094 5 20 IIBD COc1ccc(CCNC(=O)c2ccccc2N(C)C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 731880897 XLCAWRPGFJPMBW-UHFFFAOYSA-N 447.491 4.161 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)O[C@@H]2CCc3c(Cl)cccc32)cc1[N+](=O)[O-] 732509477 OFXQWTUHYOGODS-MRXNPFEDSA-N 430.873 4.372 5 20 IIBD C[C@@H](CC(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 733524808 VGFFFTWNWFPTSM-NSHDSACASA-N 428.338 4.428 5 20 IIBD O=C(N[C@@H](Cc1ccccc1)C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 734884507 SYUCODGSMZIEEF-FQEVSTJZSA-N 438.867 4.333 5 20 IIBD CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-] 734889601 PNJMMPLZLXUUQC-IBGZPJMESA-N 443.887 4.156 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCCc1ccc(Br)cc1F 735011666 PICAZEFMCLALTA-UHFFFAOYSA-N 445.672 4.278 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1csc(Cc2ccccc2F)n1 735557385 CBRQUFGQNLPFLT-UHFFFAOYSA-N 430.413 4.005 5 20 IIBD O=C(Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1)[C@H]1CC(c2ccccc2)=NO1 735638682 YBGXNHUJEOPJEU-OAQYLSRUSA-N 443.419 4.172 5 20 IIBD O=C(COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)Nc1ncc(C(F)(F)F)cc1Cl 736865626 GNCIHSFUSBIYGZ-UHFFFAOYSA-N 438.145 4.111 5 20 IIBD CN1C(=O)CC[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(C(F)(F)F)cc1 737372611 DMHWLTVDZVWVPN-HNAYVOBHSA-N 436.386 4.380 5 20 IIBD Cc1ccc([C@@H](NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2Br)C2CC2)cc1 740422836 MQYIDGPDSFNGJN-LJQANCHMSA-N 447.285 4.090 5 20 IIBD COc1ccc(Oc2ccc(NC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cn2)cc1 743196046 MLFLGZSCPTWHPT-UHFFFAOYSA-N 449.467 4.145 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc1 743226044 XOJBZSCEAQEXGF-HNNXBMFYSA-N 443.504 4.414 5 20 IIBD COc1ccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1N1CCOC1=O 743232493 HBPLPUXFDWKUFH-UHFFFAOYSA-N 428.445 4.003 5 20 IIBD C[C@H]([C@@H](OC(=O)CC1CCC1)c1ccccc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 744351066 JBWWMIYDGVFSOV-OPAMFIHVSA-N 446.525 4.079 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H]1CCCN(c2ccccc2Cl)C1=O 744498909 ZTBQPZRAQCMNMR-UGSOOPFHSA-N 434.901 4.468 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2sc3ccc(OC)cc3c2C)c([N+](=O)[O-])c1 745340223 SUBGFFYDBYLESB-LBPRGKRZSA-N 444.465 4.319 5 20 IIBD O=C(CSc1ccc(Br)cc1[N+](=O)[O-])Nc1cc([N+](=O)[O-])ccc1F 749131270 BUBQOSWTHXBGMD-UHFFFAOYSA-N 430.211 4.135 5 20 IIBD COc1ccc(-c2nnc(SC[C@@H](O)c3cccc([N+](=O)[O-])c3)n2CC(C)C)cc1 749638690 FRCKLJDMIBAQTP-LJQANCHMSA-N 428.514 4.344 5 20 IIBD C[C@@H](OC(=O)Cc1csc(-c2ccc(F)c(F)c2)n1)C(=O)Nc1ccccc1[N+](=O)[O-] 750168505 WMCGIRODIBMDHD-LLVKDONJSA-N 447.419 4.109 5 20 IIBD Cc1ccnn1-c1ccc(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cc1 750582881 KEFBTTQEDBAGIV-UHFFFAOYSA-N 441.285 4.050 5 20 IIBD O=C(CC[C@H]1CCOC1)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 751708537 HJOXSSXQTBSVFF-XOBRGWDASA-N 432.860 4.288 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CCC(c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] 752458189 LWVYWEIBBUTCBE-JOCHJYFZSA-N 439.487 4.053 5 20 IIBD C[C@@H]1C[C@H](CCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CN1Cc1ccccc1 753715077 AHCKPJWSRKYKKC-CTNGQTDRSA-N 436.556 4.226 5 20 IIBD COc1c([N+](=O)[O-])cc(NC[C@H](C)c2ncc(C)s2)c([N+](=O)[O-])c1Br 754118063 HETKHKKEEHSOMT-ZETCQYMHSA-N 431.268 4.255 5 20 IIBD COc1ccc(C2(C(=O)OCc3cnc(-c4ccc([N+](=O)[O-])cc4)o3)CCC2)cc1OC 754283224 INNHAGQIQQDYNR-UHFFFAOYSA-N 438.436 4.432 5 20 IIBD CCOc1cc(COC(=O)c2ccc([N+](=O)[O-])cc2Br)ccc1[N+](=O)[O-] 755546706 DDGQAZAAODSLRI-UHFFFAOYSA-N 425.191 4.021 5 20 IIBD Cc1ccc(CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)c(OC[C@@H]2CCCO2)c1 757776802 ZISZHSTXRUMDDD-SFHVURJKSA-N 427.457 4.030 5 20 IIBD CC[C@@](C)(COc1ncccc1Cl)NC(=O)c1cccc([N+](=O)[O-])c1Br 758808908 GXAPOMJUMQAYHL-KRWDZBQOSA-N 442.697 4.383 5 20 IIBD C[C@H](C[C@@H](O)c1ccccc1)NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 759088125 OOICNGHBWRCDKB-SEPYTNNBSA-N 434.496 4.405 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnc(Cl)c(Br)c1 759155490 JCQAFMAHJBKDES-UHFFFAOYSA-N 446.710 4.397 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(NC[C@]3(Cc4ccc(F)cc4)CCC[C@@H]3O)CC2)cc1 760035519 ANPKVQCJPGOHGR-BJKOFHAPSA-N 427.520 4.066 5 20 IIBD CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c2ccccc2C1 762972993 CZHNMTHLWRYPBF-UHFFFAOYSA-N 436.468 4.474 5 20 IIBD CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@@H](C)c2ccccc2[N+](=O)[O-])c1 764597941 PEOUSPKUIZMATM-ZDUSSCGKSA-N 440.905 4.195 5 20 IIBD Cc1ccc([C@@H](C)[C@@H](O)C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 764640914 NGAYFJRTKQDFKM-OPAMFIHVSA-N 434.448 4.226 5 20 IIBD CCc1nc(CN2CCC(CNC3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC2)cs1 765912871 WTLHOLNJTGQXAK-UHFFFAOYSA-N 443.617 4.084 5 20 IIBD O=C(OCCCc1cccc2ccccc12)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 766713408 SZDKBTKSMOOXTK-UHFFFAOYSA-N 432.432 4.191 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@@H](Cc2ccc(Cl)cc2F)C(C)=O)cc1SC 768680175 SQLPZMJBTIYFMD-INIZCTEOSA-N 441.864 4.475 5 20 IIBD Cn1cc([C@@H](O)C[C@@H]2CCCN2Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cn1 770392860 WMJHWKKYKKYFSQ-YWZLYKJASA-N 430.892 4.330 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Br)N1CC=C(c2ccc3c(c2)OCCO3)CC1 770853207 PRQGGGZXOSXVDK-UHFFFAOYSA-N 445.269 4.058 5 20 IIBD CCC(CC)n1nccc1C(=O)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 770866496 XGAOOYZGDHOWLQ-IBGZPJMESA-N 442.516 4.394 5 20 IIBD CCN(C[C@@H]1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1)CC(F)(F)F 771149650 GQFWRRGGMBBYIM-JTQLQIEISA-N 444.332 4.232 5 20 IIBD Cc1cccc(-c2nc(C)c(C(=O)O[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)[nH]2)c1 772108225 VCEAKCKALIHAKU-CYBMUJFWSA-N 442.859 4.439 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1)CC2 773984226 BFIIRNZDYVIXCX-SFHVURJKSA-N 425.485 4.448 5 20 IIBD CN(C)C1CCN(c2ccc(NC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 774847822 NUHUEGJXZNQDNX-UHFFFAOYSA-N 446.935 4.186 5 20 IIBD CSc1cccc(C(=O)OC[C@@H]2CC(=O)N(C)[C@@H]2c2cccc(Cl)c2)c1[N+](=O)[O-] 777320664 ASLNKGRRTGVCNA-SCLBCKFNSA-N 434.901 4.347 5 20 IIBD COc1cc(CNc2ccc(-n3ccnc3C)nc2)c([N+](=O)[O-])cc1OCC(F)(F)F 777513635 GZHDWZXTEKOIBA-UHFFFAOYSA-N 437.378 4.046 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(CCC(F)(F)F)c2)cc1[N+](=O)[O-] 777637190 HFYJWHFJEKEMDS-UHFFFAOYSA-N 447.391 4.069 5 20 IIBD COc1ccccc1NC(=O)[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(C)C 778888300 VJFLWEDABARMSR-KRWDZBQOSA-N 438.383 4.025 5 20 IIBD CCOCCOc1ccc(Br)cc1NC(=O)c1cc(F)c([N+](=O)[O-])cc1F 779033469 MJYVQEPYOYHNDM-UHFFFAOYSA-N 445.216 4.303 5 20 IIBD O=C(NC[C@@H](O)c1c(F)cccc1Cl)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 780917217 XARZTOGRVHRLMC-GOSISDBHSA-N 446.812 4.215 5 20 IIBD C[C@H](OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 781259504 FLXQHEMMIFHGGY-ZPFYTHJMSA-N 432.520 4.168 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N[C@H](c1cccc(Cl)c1)c1ccccn1 781730018 OBOOOPPBFXAJJB-OAQYLSRUSA-N 440.843 4.390 5 20 IIBD C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 782376956 PQEUVURMWICMDL-JTQLQIEISA-N 446.765 4.216 5 20 IIBD C[C@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccc(OCc2cccnc2)cc1 782530601 JFJWBWCEASNVOX-INIZCTEOSA-N 438.459 4.387 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 783839217 NGDKSERMUZWCDN-ZWKOTPCHSA-N 449.551 4.107 5 20 IIBD C/C(=C/C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 783862584 LZSBBTFQTQHZTJ-RYBIEJRYSA-N 441.440 4.106 5 20 IIBD CC(C)N1CCc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)sc2C1 784144334 QQOOAZNBOZNIAT-UHFFFAOYSA-N 429.546 4.060 5 20 IIBD O=C(NCC1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1)OCc1ccccc1 784800357 ILDJHQTVYMTAQR-UHFFFAOYSA-N 426.498 4.347 5 20 IIBD O=C(O[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1)c1cccc(Oc2cnccn2)c1 787024170 FEFVBWRJPBCBNE-GOSISDBHSA-N 438.415 4.142 5 20 IIBD Cc1nn(Cc2ccc(C(=O)O[C@H](c3ccccc3)c3ccnn3C)cc2)c(C)c1[N+](=O)[O-] 788390231 YMVVWILELYQJEF-HSZRJFAPSA-N 445.479 4.136 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1)N1CCCc2n[nH]cc21 790070465 KJBYGKLCWVTMMX-UHFFFAOYSA-N 445.523 4.370 5 20 IIBD COc1cc(C(=O)Nc2cc3c(cc2NC(=O)OC(C)(C)C)OCO3)cc([N+](=O)[O-])c1C 790739735 ARKLYIKYFGKUGK-UHFFFAOYSA-N 445.428 4.240 5 20 IIBD CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N 791304594 HEBZNWFPXXBEAT-UHFFFAOYSA-N 445.454 4.441 5 20 IIBD O=C(NC[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1)OCc1ccccc1 794038786 VCGYEPHWXOVNFF-INIZCTEOSA-N 431.876 4.027 5 20 IIBD C[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)c1cc(S(N)(=O)=O)c(Cl)cc1Cl 794817719 PQFGNEDTCVVHIG-QMMMGPOBSA-N 438.720 4.053 5 20 IIBD COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 795275969 AHEBIIPFCDPDCJ-UHFFFAOYSA-N 439.660 4.142 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(c2ccc(CC(=O)N(C)C)cc2)C(C)C)cc1SC 799448826 CXLAEDNOOGXLFL-UHFFFAOYSA-N 445.541 4.011 5 20 IIBD O=C(OCc1c(F)cccc1[N+](=O)[O-])c1sc(N2CCOCC2)nc1-c1ccccc1 799564504 RDZZAIQPIRTAOH-UHFFFAOYSA-N 443.456 4.051 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CCOc2ccc(Br)cc2C1 801676118 HPDBYMMOZQXRBS-UHFFFAOYSA-N 426.654 4.437 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 801953085 ITAIISLCQHXEJN-MRXNPFEDSA-N 426.217 4.099 5 20 IIBD C[C@H](CC1CCOCC1)OC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 803020615 FXXAYDDWGHDXBE-MRXNPFEDSA-N 440.496 4.254 5 20 IIBD CC[C@H](NC(=O)Cc1noc(-c2cc([N+](=O)[O-])ccc2N2CCCC2)n1)c1ccccc1 809485163 ONZOPWFIMBBGEV-IBGZPJMESA-N 435.484 4.055 5 20 IIBD O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1c(F)cc(C(F)(F)F)cc1F 811419179 XPJKGVVIICHHIC-UHFFFAOYSA-N 446.284 4.047 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1=S 811790307 LZEOIBOGOKIKSQ-QZTJIDSGSA-N 429.546 4.000 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nnc3n2CCCCCC3)cc1 812036936 OICPKXSNVCKXCC-UHFFFAOYSA-N 434.500 4.288 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 813153037 OIRVYQDASCXHIU-WDEREUQCSA-N 432.304 4.277 5 20 IIBD COc1cc(Cl)c(C(=O)COC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc1OC 815404335 FPOSFHJVTVOEHS-UHFFFAOYSA-N 428.224 4.267 5 20 IIBD O=C(COc1ccccc1C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F)Nc1ccccc1F 897462486 OKTKEIVRTJWKFF-UHFFFAOYSA-N 445.353 4.282 5 20 IIBD COCCN(C(=O)/C=C\c1ccc(OC)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 900791646 HTBGNBYBAAWZKF-XGICHPGQSA-N 439.493 4.420 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)[C@@H]1CSCCS1 903366169 KGFWSGJVYNSRTE-HNNXBMFYSA-N 438.552 4.287 5 20 IIBD COc1ccc(-c2nc(Cc3noc(-c4cc(Cl)c(N)c([N+](=O)[O-])c4)n3)co2)cc1 904325848 OYRBUGZTHULWSU-UHFFFAOYSA-N 427.804 4.135 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1-c1nc(-c2cccc(F)c2)no1 904537883 HKLGJNKRLIVQQR-UHFFFAOYSA-N 425.157 4.364 5 20 IIBD Cc1ccc(CNC(=O)c2cccc(CNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2)cc1 916068000 HOAAYHCSQPZXNS-UHFFFAOYSA-N 437.883 4.417 5 20 IIBD CCCCOc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc1OC 916448105 XEFCCWLXAOTCQZ-CQSZACIVSA-N 431.445 4.490 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)COCc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 916535793 DJMKVNRPEZLATQ-HSZRJFAPSA-N 434.448 4.343 5 20 IIBD O=C(OCC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)c1cc2cc([N+](=O)[O-])ccc2o1 917263198 NAJBGDBDWHGJHG-MRXNPFEDSA-N 449.375 4.062 5 20 IIBD COc1cc([C@@H](C)NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])ccc1OC1CCCC1 918194130 SNOJRYNAMIQDNE-CYBMUJFWSA-N 438.477 4.103 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)C1CCN(c2nc3ccccc3o2)CC1 918535139 VGMKJZGQJGTTAX-UHFFFAOYSA-N 425.441 4.095 5 20 IIBD Cn1cc(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 918636856 HCRSHBVEKKIASK-SFHVURJKSA-N 435.480 4.328 5 20 IIBD COC(=O)N(C)c1ccc(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 920060267 AUZNNXNZEODVOX-NSHDSACASA-N 440.378 4.255 5 20 IIBD O=C(NCCOc1ccccc1-c1ccccc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 921129926 ZHWNYKZAWUETCF-UHFFFAOYSA-N 439.855 4.049 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Oc3cccc(F)c3)nc2)c2ncccc12 1116607942 PRSBIPBAARKLSL-UHFFFAOYSA-N 440.412 4.270 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)n1 1116612036 BPHLIECGBLAUQP-UHFFFAOYSA-N 442.497 4.103 5 20 IIBD NC(=O)c1cc(N2CCCCC2)ccc1NCc1ccc([N+](=O)[O-])cc1Br 1320398511 JISNXHXDAVHDSO-UHFFFAOYSA-N 433.306 4.059 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2-c2nnc(CNC(=O)OC(C)(C)C)o2)cc1 1322473961 GUUGJGFSNKBHAK-UHFFFAOYSA-N 442.428 4.470 5 20 IIBD Nc1c(C(=O)N2CCCCC[C@@H]2[C@H]2CCCCC2=O)cc(Br)cc1[N+](=O)[O-] 1322744631 GCVAADPZKHHDKR-UKRRQHHQSA-N 438.322 4.084 5 20 IIBD C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 1323281237 BATSRSRNSIGQIL-ZDUSSCGKSA-N 449.916 4.349 5 20 IIBD COc1ccc(Br)c(-c2nnc(COc3ccc([N+](=O)[O-])c(OC)c3)o2)c1 1345949304 LMEQCBSWBADDLI-UHFFFAOYSA-N 436.218 4.004 5 20 IIBD COc1ccc(NC(=O)N(Cc2ccccc2)C[C@H](O)c2ccsc2)c([N+](=O)[O-])c1 1349876188 XJDGSNUSWABFRQ-FQEVSTJZSA-N 427.482 4.433 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)C(F)(F)c3ccco3)CCC2)cc1)c1ccc([N+](=O)[O-])o1 1785750983 AZJHDLJDPLLITE-UHFFFAOYSA-N 445.378 4.321 5 20 IIBD O=C(CCc1cccc(O)c1)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1 1785752018 SYEZMKFDFFSGBO-UHFFFAOYSA-N 449.463 4.274 5 20 IIBD COc1ccsc1C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1 1790187010 ZEBSTWDKILPTKX-UHFFFAOYSA-N 440.481 4.055 5 20 IIBD O=C(NC1(c2ccc(NC(=O)C(F)(F)Cl)cc2)CCC1)c1ccc([N+](=O)[O-])cc1F 1791723539 VNXNOPMVGZQZDL-UHFFFAOYSA-N 441.793 4.313 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)NC1(c2ccc(NC(=O)C34CC(C3)C4)cc2)CCC1 1792033270 AVJGGTPFWAVMKM-UHFFFAOYSA-N 433.508 4.462 5 20 IIBD Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C3)c1F 1792729863 SSDQFJZWWIZLCQ-UNGCYLFBSA-N 437.471 4.008 5 20 IIBD CC(C)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2F)[nH]n1 1821932387 HTWSUAHCBYUXFR-LJQANCHMSA-N 445.495 4.128 5 20 IIBD O=C(CC1CC1)N1CCC([C@@H]2CCCCN2C(=O)CSc2ccccc2[N+](=O)[O-])CC1 1831776393 MUGCNQGDGQPWBJ-IBGZPJMESA-N 445.585 4.107 5 20 IIBD Cc1cc(C)cc(CCC(=O)N2CC3(CCCN3C(=O)/C=C/c3ccccc3[N+](=O)[O-])C2)c1 1847058918 QEEQPFOOAJTWFI-PKNBQFBNSA-N 447.535 4.061 5 20 IIBD O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 3504747 DTZDVCRXTVAPLK-UHFFFAOYSA-N 438.823 4.275 5 20 IIBD Cc1cc2oc(=O)cc(CN3C(=O)N[C@](C)(c4ccc([N+](=O)[O-])cc4)C3=O)c2cc1C(C)C 8646324 CNLOSQNFMHTFPJ-XMMPIXPASA-N 449.463 4.100 5 20 IIBD C[C@@H](Sc1nnc(NCc2ccccc2)s1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 11409201 QLPWKUDJWJYHFG-LLVKDONJSA-N 433.490 4.317 5 20 IIBD COc1cc(CSc2nnc(-c3ccc(F)cc3)n2C)c([N+](=O)[O-])cc1OC(F)F 12723928 UKWSSRSUYHXMNW-UHFFFAOYSA-N 440.403 4.432 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 14304324 XOVPVLVSZOOWHK-UHFFFAOYSA-N 437.465 4.318 5 20 IIBD C[C@@H](OC(=O)c1cn(C)c2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 17206363 AKIZUZMDOLVWFG-LLVKDONJSA-N 435.358 4.289 5 20 IIBD COc1ccccc1[C@H](C)NC(=O)CSc1nc2cc3ccccc3cc2c(=O)n1C 22254730 CKFCPOLLUXYAIZ-HNNXBMFYSA-N 433.533 4.065 5 20 IIBD O=C(NCc1cccc(Cn2ccnc2)c1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 24747360 DLEIFCGWGDNRRT-UHFFFAOYSA-N 441.491 4.382 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCSc1nnc(-c2cccs2)n1C1CC1 26410960 HDRMTLOBHOUJRK-UHFFFAOYSA-N 445.526 4.379 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3cccc(C(=O)N4CCCC4)c3)cc2[N+](=O)[O-])CC1 30479926 LLCAIFKTSAPPIR-UHFFFAOYSA-N 436.512 4.319 5 20 IIBD CCCCN(C(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 58531228 KFCLXDVPEXQZDR-KRWDZBQOSA-N 442.603 4.162 5 20 IIBD O=C(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)Nc1c(Cl)cc(Cl)cc1Cl 72066295 BSGVJOZZPCDNSI-UHFFFAOYSA-N 426.647 4.452 5 20 IIBD Cc1cc(CSc2ccccc2C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)on1 107712673 UZZBDKYXJCEWFL-UHFFFAOYSA-N 438.509 4.146 5 20 IIBD COc1ccc(CNc2ccc(CC(=O)N(C)C)cc2)cc1OCc1ccc([N+](=O)[O-])cc1 237188914 NCBXAVSXOKJVFZ-UHFFFAOYSA-N 449.507 4.425 5 20 IIBD O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2OC(F)F)C1 302177435 XTNJNPLWFQNDAE-NSHDSACASA-N 426.807 4.100 5 20 IIBD O=C(c1ccccc1C(F)(F)F)N1CCC(Nc2ncc(Cl)cc2[N+](=O)[O-])CC1 302333688 AHTJLIHZSLDVSM-UHFFFAOYSA-N 428.798 4.379 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cccc(CN2CCCCC2=O)c1 303046302 QTYBBTAKONKMLG-UHFFFAOYSA-N 439.515 4.306 5 20 IIBD CC[C@@H](C(=O)OC)N(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 303670577 JRCYXUYINKAMSV-SFHVURJKSA-N 425.466 4.317 5 20 IIBD O=C(Cc1cccs1)Nc1ccccc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 409979041 VNVJYRIYBZMPOZ-UHFFFAOYSA-N 447.476 4.276 5 20 IIBD O=[N+]([O-])c1ccn(C2CCN(Cc3cc(Br)cc(C(F)(F)F)c3)CC2)n1 425960429 OJQVBXKXNWBAOD-UHFFFAOYSA-N 433.228 4.410 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ncc(C2CCCCC2)s1 426311442 FMNPXCUDFNUKGI-UHFFFAOYSA-N 430.530 4.177 5 20 IIBD O=C(N[C@H]1CCN(c2ccccc2OC(F)F)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 426480195 QRZRQMCMUUEPKE-INIZCTEOSA-N 446.454 4.149 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N[C@@H](C(=O)O)C1CC1 431445075 LAPYPJZKNBWWPL-WLEBTQASSA-N 437.477 4.115 5 20 IIBD CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cccc(OC)c1[N+](=O)[O-] 435611071 PFFUMVMNLHRDQJ-UHFFFAOYSA-N 430.848 4.359 5 20 IIBD O=C(Nc1ncc(C2CCCCC2)s1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 436056482 YYLNVVBMZREXNC-UHFFFAOYSA-N 428.470 4.005 5 20 IIBD CC(C)COc1ccc(NC(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1Cl 437054387 KTNMRDZEWILUSX-UHFFFAOYSA-N 445.903 4.413 5 20 IIBD CCN(C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H](Cc1ccc(F)cc1)C(C)C 437108698 FPCQXFQFMBSGQB-IBGZPJMESA-N 449.910 4.233 5 20 IIBD Cc1ccc([C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H](C)S(C)(=O)=O)cc1 437353719 QUMFKMVHSPZZIQ-YWZLYKJASA-N 445.566 4.291 5 20 IIBD Nc1ccc(-c2noc([C@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)n2)cc1[N+](=O)[O-] 438243088 HFOGGJBBYMOFTP-LLVKDONJSA-N 434.239 4.054 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCCC[C@H]2c2ncc(-c3ccccc3)[nH]2)cc1 439205307 MUWVNLZOJITMAQ-FQEVSTJZSA-N 426.498 4.042 5 20 IIBD CC[C@](C)(NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)c1nc(C)cs1 439232554 XNGQNZLFCPEBPQ-HNNXBMFYSA-N 448.364 4.034 5 20 IIBD Cc1ccc(S(=O)(=O)CCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 440601816 LSJJWYCELLLUGZ-UHFFFAOYSA-N 438.505 4.300 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1 442835028 CQAZKJODMXJZLO-RDJZCZTQSA-N 442.459 4.313 5 20 IIBD CCOC(=O)c1csc(N(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C2CC2)n1 443898767 LNDKXLYQJKAOED-UHFFFAOYSA-N 429.376 4.056 5 20 IIBD O=C(N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444282845 CGTSKFHPSIDMDD-WMZHIEFXSA-N 438.405 4.359 5 20 IIBD COc1cc(Oc2ccccc2)ccc1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 446907452 WSWHGVUABHJMGT-UHFFFAOYSA-N 437.408 4.175 5 20 IIBD Cc1cccc(S(=O)(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1Br 446926848 BXQUNSMSFZAJDI-UHFFFAOYSA-N 425.304 4.019 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1cnn(-c2ccc(Br)cc2)c1 447073882 ZYRBJJYBMIFASQ-UHFFFAOYSA-N 449.692 4.055 5 20 IIBD CC(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)[C@H](C)c1ccc(-n2cncn2)cc1 460588564 WBMJRMJRPPBJOC-QGZVFWFLSA-N 446.515 4.287 5 20 IIBD C[C@]1(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)OCCc2sccc21 460972648 JAHZWTZPPOZDJZ-HSZRJFAPSA-N 440.471 4.239 5 20 IIBD COCCOCc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)cc1 463458033 VQSYVVSVKITQQA-UHFFFAOYSA-N 427.482 4.442 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)c2ncccc12 463508275 UXLGOXWCJAJRPR-UHFFFAOYSA-N 436.449 4.476 5 20 IIBD Cc1cc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])n(-c2cccc(C(F)(F)F)c2)n1 463536906 JBTGMEQFPVPPOY-UHFFFAOYSA-N 433.390 4.183 5 20 IIBD COc1ccc(C(=O)N2CCc3c(Br)ccc(Cl)c3C2)cc1[N+](=O)[O-] 464189981 WIKOJLBEUYNLBI-UHFFFAOYSA-N 425.666 4.218 5 20 IIBD COc1ccc(CSCC(=O)N2CC[C@H](CSc3ccccc3)C2)cc1[N+](=O)[O-] 464347473 ZDVFAORJJUYWSI-KRWDZBQOSA-N 432.567 4.477 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C[C@@H]1C[C@H]2C=C[C@H]1C2)C1CCN(C)CC1 464696495 ZRAFTPLWAGMNJW-CMOCDZPBSA-N 425.573 4.299 5 20 IIBD CC(C)(C)S(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 468094473 TTXODTHTQYNRPO-UHFFFAOYSA-N 430.404 4.438 5 20 IIBD CS(=O)(=O)c1cc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)ccc1Cl 472748524 JBABAVSXXQITRG-UHFFFAOYSA-N 437.886 4.028 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 479157990 OCBZUPJMXKJCAP-UHFFFAOYSA-N 442.881 4.269 5 20 IIBD O=C(NC[C@H]1CCCCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1 480339834 VLJIWBBKPNPOBY-MRXNPFEDSA-N 448.426 4.013 5 20 IIBD CSc1ccc(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1[N+](=O)[O-] 485693118 NCQZGNALIWETNJ-UHFFFAOYSA-N 433.445 4.370 5 20 IIBD COc1cc(NC(=O)c2cccc(SC)c2[N+](=O)[O-])ccc1NC(=O)c1cccnc1 485767873 QDNDPBRGBXJZLB-UHFFFAOYSA-N 438.465 4.225 5 20 IIBD COc1cccc(OC)c1Oc1ccc(CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cn1 486964573 IFMDVXSRPAXFEZ-UHFFFAOYSA-N 449.423 4.461 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCCC(=O)N1CCc2ccccc21 487623291 QQAXGWQGXAYLKF-UHFFFAOYSA-N 441.553 4.442 5 20 IIBD CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 488667673 LHAQLSZLNOAXJU-CQSZACIVSA-N 434.899 4.020 5 20 IIBD O=C(Nc1cc(CC2CC2)nn1-c1ccccc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 489062842 AYYPHKULEJZGNB-UHFFFAOYSA-N 428.452 4.171 5 20 IIBD O=C(N[C@@H]1CSc2ccc(Br)cc21)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 489627839 UMOAUHLOILFHRC-MRXNPFEDSA-N 445.298 4.120 5 20 IIBD CCc1cc(N2CCC(NC(=O)c3cc([N+](=O)[O-])ccc3SCC(C)C)CC2)ncn1 489935847 VHKCMMIXHZQXNL-UHFFFAOYSA-N 443.573 4.094 5 20 IIBD Cc1cc(S(=O)(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)ccc1[N+](=O)[O-] 490046413 VPSVTJSHIYVUDL-UGSOOPFHSA-N 444.431 4.073 5 20 IIBD O=C(NCCc1csc(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1Br 497348675 BLUJRWIUIDKIQP-UHFFFAOYSA-N 432.299 4.453 5 20 IIBD COc1ccccc1-c1ccc([C@H](C)NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])cc1 500951431 DZDMCDBPANATQF-KRWDZBQOSA-N 440.521 4.494 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccnc1OCC(F)(F)F 502808991 IGCRUFCGKPQWLF-UHFFFAOYSA-N 429.420 4.363 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 503433498 KXFHXTRDVSDWJR-UHFFFAOYSA-N 445.475 4.134 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NCc2ccnc(Oc3ccc(F)cc3)c2)c([N+](=O)[O-])c1 503573835 NXJDEELXMVMAIM-UHFFFAOYSA-N 447.426 4.498 5 20 IIBD Cc1cc(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])nn1CCCOc1ccc(F)cc1 504592969 OMOIUIASBOSJDR-UHFFFAOYSA-N 441.463 4.372 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@@H](Oc2ccccc2Cl)C1 504693083 YTFDBQWOJWURLW-GOSISDBHSA-N 426.860 4.118 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1cc(Cl)ccc1OC1CCCC1 506731717 MFFBVGOBUWOUOK-UHFFFAOYSA-N 445.903 4.209 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 510147745 OFNHBRWCKRHGMS-CMKODMSKSA-N 427.570 4.492 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCC(CC(=O)N(C)C)CC3)cc2[N+](=O)[O-])cc1 511683564 OFZDESYSBUXKON-UHFFFAOYSA-N 441.553 4.385 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CC[C@H](Cc4ccccc4)C3)n2C[C@H]2CCCCO2)c1 515002425 LJLDRFZHWAYCNY-NFBKMPQASA-N 447.539 4.491 5 20 IIBD CC[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccccc1OCC(=O)N(C)C 515617585 XLHUUICWUVMRRO-QGZVFWFLSA-N 441.509 4.158 5 20 IIBD C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cccc(N2CCCC2=O)c1 520502955 BRWPTZMEWSYFPW-SFHVURJKSA-N 439.515 4.159 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NCc2nc3cc(Cl)ccc3s2)c([N+](=O)[O-])c1 521498363 ODFZTBLJFGGVNE-UHFFFAOYSA-N 427.873 4.435 5 20 IIBD Cc1cc(S(=O)(=O)N(Cc2cccc(Br)c2)C(C)C)ccc1[N+](=O)[O-] 522416865 RQCBRDFFQWPWIR-UHFFFAOYSA-N 427.320 4.265 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)c1cccc(NC(=O)c2ccc(Br)o2)c1 524339101 SBJJRPSUEVCQPL-UHFFFAOYSA-N 444.241 4.133 5 20 IIBD Cc1ccc(Oc2ccccc2NC(=O)CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 526020194 IVOOTRYFOWVFJM-UHFFFAOYSA-N 426.450 4.108 5 20 IIBD CCOC(=O)c1c(-c2ccco2)csc1NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 526995951 DIRVZRFKTVVUKN-UHFFFAOYSA-N 446.437 4.119 5 20 IIBD COc1cc(C(=O)Nc2ccc3ccn(C)c3c2)c([N+](=O)[O-])cc1OCc1cscn1 527201260 XIUFHQREXRCQDQ-UHFFFAOYSA-N 438.465 4.383 5 20 IIBD Cc1ccc(C(=O)N[C@@H](CC(=O)NCCc2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 533992765 RKOMUTPYYRBYSG-QHCPKHFHSA-N 431.492 4.123 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCCCCN1CCC(Cc2ccccc2)CC1 534680772 RVDMKDVYXVTIQZ-UHFFFAOYSA-N 448.567 4.470 5 20 IIBD Cc1cc(Cl)ccc1NC(=O)C[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534795681 JMBKZCNPZLEMPT-LJAQVGFWSA-N 433.873 4.099 5 20 IIBD COc1cc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3SCC(C)C)[nH]c2cc1OC 535006064 VYDQRFAIPFUZKX-UHFFFAOYSA-N 430.486 4.489 5 20 IIBD COc1c(C)ccc(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)c1C 535736029 GZDAUXVNPGBIDX-UHFFFAOYSA-N 426.210 4.077 5 20 IIBD COc1cc(CCNC(=O)c2cc(-c3ccccn3)ccc2Cl)c([N+](=O)[O-])cc1OC 535848310 OSVJTSJEJBBLSR-UHFFFAOYSA-N 441.871 4.300 5 20 IIBD C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 537525237 QTQMYXHTJLBLOK-SNVBAGLBSA-N 445.394 4.452 5 20 IIBD COc1ccc2ccccc2c1-c1cc(Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)on1 537556922 BCKGAWLIZYNHCY-UHFFFAOYSA-N 428.404 4.170 5 20 IIBD COc1cc(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC(F)F 538244250 JLIBUSJXYXLLFG-GUYCJALGSA-N 442.802 4.118 5 20 IIBD O=C(NCC1(c2ccc(F)cc2)CCOCC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 540514356 UTVNIOJQIARGOP-UHFFFAOYSA-N 435.455 4.274 5 20 IIBD CS(=O)(=O)c1c(Cl)cccc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 541261445 SEAMKHRJWLWRJQ-UHFFFAOYSA-N 435.310 4.036 5 20 IIBD CN(C)C(=O)c1ccnc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)c1 541833109 USUWHSAJOOEZND-UHFFFAOYSA-N 428.514 4.226 5 20 IIBD O=C(CCNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)NCc1ccccc1 544426042 FLLQYCMAUJWLLT-UHFFFAOYSA-N 441.553 4.313 5 20 IIBD CNc1ccc(-c2nc(Cc3ccc(OCC(F)(F)F)c(OC)c3)no2)cc1[N+](=O)[O-] 545645031 FDONKFAYPAXOOS-UHFFFAOYSA-N 438.362 4.227 5 20 IIBD COc1cc(OC)cc(C2(F)CCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])CC2)c1 549256710 ILEWKWYUBJXZRM-UHFFFAOYSA-N 429.370 4.491 5 20 IIBD CS(=O)(=O)C[C@@H]1CCCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 552274369 QFURWBRVFGAWFS-MRXNPFEDSA-N 438.933 4.297 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCC2(c3ccccn3)CCC2)cc1[N+](=O)[O-])c1ccccn1 552376456 LCVNJQSGYRFYHU-QGZVFWFLSA-N 431.496 4.410 5 20 IIBD CC1CCN(c2ccc(C(=O)N(CC(=O)N3CCCCCC3)C(C)C)cc2[N+](=O)[O-])CC1 553632602 DHBANZCMOBQEEL-UHFFFAOYSA-N 444.576 4.084 5 20 IIBD CC(C)(C(=O)N1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1)c1ccccc1[N+](=O)[O-] 556595230 GKHZKPZDUKTWCC-QGZVFWFLSA-N 435.480 4.040 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)cc1 557643722 LESABAYYHDGNEA-WMZOPIPTSA-N 425.485 4.095 5 20 IIBD CCOC(=O)C(C)(C)C1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1 561067806 ZWASIIJEQINEPP-UHFFFAOYSA-N 445.560 4.273 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccnc(N2CCc3ccccc3C2)c1 561112679 AXEZLOGTEPITSP-UHFFFAOYSA-N 427.464 4.215 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC4(CCOCC4)[C@@H]3C3CC3)cc2[N+](=O)[O-])C1 561592435 DCJOBCMJKRQPNU-JKSBSHDWSA-N 427.545 4.108 5 20 IIBD CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 568794435 NYQIDLCGNIEWQO-UHFFFAOYSA-N 428.798 4.191 5 20 IIBD Cc1ccnc(-n2nc(C)cc2NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c1 571389722 YDNFURKTGHUFIT-UHFFFAOYSA-N 430.262 4.116 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC 580925827 YJCBIRIRDJIFJC-GFCCVEGCSA-N 428.894 4.025 5 20 IIBD CCOc1ccc([C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 583522517 KVYRZMLPNAMNQX-HSZRJFAPSA-N 440.521 4.146 5 20 IIBD C[C@@H]1CN(c2cc3ncnc(O)c3cc2[N+](=O)[O-])C[C@H](c2cccc(C(F)(F)F)c2)O1 583788341 JZPLAGZGPXIRIZ-ADLMAVQZSA-N 434.374 4.229 5 20 IIBD COCCOCc1cc(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)ccc1F 584085910 GXTXEJLGTQTIMV-UHFFFAOYSA-N 426.404 4.019 5 20 IIBD O=C(NCCO[C@H]1CCCCO1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 590385454 NRKHSRXUSQRWQO-FQEVSTJZSA-N 433.892 4.133 5 20 IIBD CC(C)CCn1c(=O)c2ccccc2n2c(SCCc3ccc([N+](=O)[O-])cc3)nnc12 603722169 QNKPZDLNENHLID-UHFFFAOYSA-N 437.525 4.333 5 20 IIBD O=C(NCCNc1ccccc1[N+](=O)[O-])NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 603748747 SHJSNXZMFCBXLH-GHMZBOCLSA-N 442.360 4.215 5 20 IIBD CC(C)(C)c1ccc([C@H]2CCCN2C(=O)Cn2cc(Br)c([N+](=O)[O-])n2)cc1 603947344 GRJBNZXUZTUOKS-MRXNPFEDSA-N 435.322 4.215 5 20 IIBD COc1ccc(CNC(=O)[C@@H](Oc2ccccc2Br)C(C)C)cc1[N+](=O)[O-] 604018301 SJKBYBAASNRDEU-SFHVURJKSA-N 437.290 4.086 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)cc1C 608887340 SNQNITUFIVMRLH-UHFFFAOYSA-N 443.500 4.179 5 20 IIBD COc1ccc(CC(=O)Nc2cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)ccc2C)cc1[N+](=O)[O-] 609010691 CQZBDIFHMAAYGV-HZPDHXFCSA-N 439.512 4.211 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(Sc2nncs2)c(Cl)c1 609108296 YUBMHEDSSZGPON-UHFFFAOYSA-N 442.931 4.360 5 20 IIBD O=C(NCC(=O)N1Cc2ccccc2-c2ccccc2C1)c1c(Cl)cccc1[N+](=O)[O-] 609392881 VYNAIGMCFKFUSR-UHFFFAOYSA-N 435.867 4.187 5 20 IIBD CCCN(Cc1ccccc1F)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 609418891 HTMKICGPSDAKRV-UHFFFAOYSA-N 431.283 4.097 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C)c(C)c2)c1 609453751 WMWGEIYUNKDCNS-GOSISDBHSA-N 431.539 4.087 5 20 IIBD COc1cc(C(=O)NCc2ccc(Br)cc2C)c([N+](=O)[O-])cc1OC(F)F 609505729 WRKIGGYMZPSIEW-UHFFFAOYSA-N 445.216 4.206 5 20 IIBD CC(C)(C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1)c1ccc([N+](=O)[O-])cc1 610062488 WQCKHUFBOZVIFV-HNNXBMFYSA-N 446.345 4.278 5 20 IIBD CC(=O)N1CCCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c2ccccc21 610235171 NALSQILVOYRCEE-UHFFFAOYSA-N 436.512 4.235 5 20 IIBD C[C@@H]1CN(CCCCNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C[C@@H](C)O1 611215959 DSABAIKOBCTJMJ-IAGOWNOFSA-N 435.590 4.249 5 20 IIBD C[C@@H](c1nnc(Sc2ncnc3ccc([N+](=O)[O-])cc23)n1-c1ccc(F)cc1)N(C)C 611703404 SCOWPWJPJILFAJ-LBPRGKRZSA-N 439.476 4.032 5 20 IIBD Cc1nc(-c2ccsc2)ccc1C(=O)O[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 726233864 VOAGKUXOGVBHQM-GFCCVEGCSA-N 429.429 4.350 5 20 IIBD Cc1nc([N+](=O)[O-])c(Br)n1CC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 726430856 BBIKSALWGAFIAM-AWEZNQCLSA-N 441.301 4.295 5 20 IIBD C[C@@H](Cc1ccc(F)cc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727329989 KFFFTBBPRWWLIN-AWEZNQCLSA-N 439.409 4.280 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(NC(=O)OC(C)(C)C)nc2)cc1[N+](=O)[O-] 727337755 DYZWYPDJMRRIFS-UHFFFAOYSA-N 448.501 4.217 5 20 IIBD Cc1ccsc1C(=O)Nc1ccc(OC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cc1 729215690 DORQTHMTEZWRGS-UHFFFAOYSA-N 440.433 4.207 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 730251252 RIJNFFQWOKYPMZ-AWEZNQCLSA-N 446.529 4.095 5 20 IIBD COc1ccccc1[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 731130869 UULOHPXABXRFHN-FQEVSTJZSA-N 439.855 4.101 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc([N+](=O)[O-])c1 735828516 XDGFPWJAPGMICA-UHFFFAOYSA-N 436.420 4.221 5 20 IIBD COc1ccc([C@@H]2[C@@H](COC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)CCN2C)cc1 735904482 OWDVKHFNVSANFY-QLVMHMETSA-N 430.526 4.320 5 20 IIBD Cc1c(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 737680697 WTQPDPNPNAHESE-BEFAXECRSA-N 440.500 4.245 5 20 IIBD C[C@H](C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(Br)s1 745642036 FVRVJPXJTVYXIC-VIFPVBQESA-N 438.259 4.316 5 20 IIBD Nc1c(Cl)cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1Cl 746591369 KWCRIMNNPBJVSJ-UHFFFAOYSA-N 430.191 4.303 5 20 IIBD C[C@H](OC(=O)c1csc(C2CC2)n1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 747506868 LBFLKBHKPNEXKM-JTQLQIEISA-N 444.494 4.236 5 20 IIBD COCCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)c1nc2ccccc2s1 748627006 ZFQLAFZAGDLSIA-UHFFFAOYSA-N 430.442 4.023 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cc(Cl)ccc1OC(F)F 748915797 CHDZJCVMYJSCJT-VIFPVBQESA-N 444.774 4.042 5 20 IIBD O=C(CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)NCC1(CO)CCOCC1 749019468 TWKWUGWILBBDJL-UHFFFAOYSA-N 429.516 4.452 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 750608077 BJGPHGNXXVNUGT-CVEARBPZSA-N 445.520 4.285 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCC[C@@H]1CCCCN1C(=O)c1cccn1C 750645057 KKXZXUCTLLDRHV-IRXDYDNUSA-N 445.541 4.042 5 20 IIBD O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])Nc1nc(-c2ccc(F)cc2)cs1 754676174 UMAYOGVEEBSJTL-UHFFFAOYSA-N 435.820 4.306 5 20 IIBD C[C@H](C(=O)O[C@H](C)C(=O)Nc1ncc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1F 755065832 MSJLYFUVBUYPEO-DTWKUNHWSA-N 430.219 4.110 5 20 IIBD Cc1ccc(C(=O)CC(C)(C)CC(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 759831241 KJMIALRSIFDEDV-UHFFFAOYSA-N 430.432 4.213 5 20 IIBD CC(C)(C(=O)NC[C@@H](O)c1cccc(OCc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 762529223 WBZRUCRCZHHAFF-HSZRJFAPSA-N 434.492 4.301 5 20 IIBD Cc1sc2ncnc(N3CCC(C(=O)OCCc4ccccc4[N+](=O)[O-])CC3)c2c1C 762707692 ZLDRQCCPTYASNA-UHFFFAOYSA-N 440.525 4.219 5 20 IIBD Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)o1 762904943 NQZKQXUZDMMPLY-UHFFFAOYSA-N 445.391 4.447 5 20 IIBD O=C(Nc1scnc1C1CC1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 762971589 DHKISYGXEYQZBM-UHFFFAOYSA-N 441.435 4.302 5 20 IIBD O=C(O[C@H]1CCO[C@@H](C2CCOCC2)C1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 763125690 SOYPUELTVBYSKQ-SIKLNZKXSA-N 426.469 4.469 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(-c2ccccc2Cl)c1 764236788 XNCJUGULZKQEQX-UHFFFAOYSA-N 432.889 4.425 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCO[C@@H](c3ccccc3C)C2)c1=S 765036339 VQPHZCDYPRMYJT-HXUWFJFHSA-N 439.541 4.349 5 20 IIBD C[C@H](OC(=O)c1c([N+](=O)[O-])cnn1C)c1nc2cc(Cl)ccc2n1Cc1ccccc1 766967762 TZSWRZDNVHQJHB-ZDUSSCGKSA-N 439.859 4.298 5 20 IIBD CC(=O)[C@@H](Cc1ccc(F)cc1F)OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F 768748134 SRCIBUCQKWQJSJ-MRXNPFEDSA-N 446.175 4.132 5 20 IIBD CC(C)([C@H](OC(=O)c1ccc(Cn2cccn2)o1)c1ccc(Br)cc1)[N+](=O)[O-] 774367169 PURHOGIOOQHPFA-QGZVFWFLSA-N 448.273 4.240 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1N)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 774972615 MMHUWBSROSGCJY-SSDOTTSWSA-N 432.647 4.321 5 20 IIBD O=C(CCc1nnc(-c2ccccc2)o1)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776137050 MQIZAXXDCLLOSG-QFIPXVFZSA-N 430.420 4.305 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N1CCC(O)(C(F)F)CC1 778309761 WBSHJBGDOZBVEU-KRWDZBQOSA-N 439.846 4.020 5 20 IIBD CCOc1cc(Cl)ccc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 778891994 CUMDATWVBINXLW-SNVBAGLBSA-N 427.240 4.484 5 20 IIBD C[C@H](OC(=O)c1csc(Cc2cccc(F)c2)n1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 780185545 ZNXOLQMEYVQTQS-NSHDSACASA-N 447.419 4.104 5 20 IIBD O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)c1ccc2[nH]c3ccccc3c(=O)c2c1 780917252 XXEVGKWINHZIKE-LJQANCHMSA-N 427.287 4.452 5 20 IIBD COc1cccc(OCCOC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 781258103 OFMOKJAEPLXMLK-UHFFFAOYSA-N 425.387 4.204 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1I)c1nc2ccccc2o1 781813163 IBGJWTPHZYDKLR-VIFPVBQESA-N 438.177 4.259 5 20 IIBD C[C@H](OC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1noc(-c2ccccc2)n1 781827848 VDHPTMWTVFRGJJ-NSHDSACASA-N 436.346 4.380 5 20 IIBD O=C(OCc1noc(-c2ccccc2O)n1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 782412244 XWTPPWQQBPJMSC-UHFFFAOYSA-N 446.419 4.320 5 20 IIBD CCN(C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](Cc1ccc(F)cc1)C(C)C 785074400 QYJLWQKCBSIJSD-GOSISDBHSA-N 435.883 4.442 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)Cc2ccc3c[nH]nc3c2)c2ccccc2)c([N+](=O)[O-])c1 786567282 FJJOGDNOCFQSRQ-HSZRJFAPSA-N 444.447 4.245 5 20 IIBD Cc1c(Br)cc(C(=O)O[C@H](c2ccccc2)c2ccnn2C)cc1[N+](=O)[O-] 788396401 KDZHYUNLCCNWHA-GOSISDBHSA-N 430.258 4.346 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)N(Cc2ccco2)c2ccccc2)c(C)c1[N+](=O)[O-] 790394809 WNWUAZYDDOMOAX-UHFFFAOYSA-N 431.426 4.108 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@]2(CCN(Cc3c(Br)cccc3[N+](=O)[O-])C2)C1 793605844 RRWJOMSFQPHCOW-LJQANCHMSA-N 440.338 4.190 5 20 IIBD O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)N1CCC[C@H]1c1ccsc1 795792952 YZBMOZSUDHYVOC-LBPRGKRZSA-N 435.296 4.084 5 20 IIBD CC[C@@H](c1ccncc1)N(CC)C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] 796596064 OZYMXCIAQBZZIB-INIZCTEOSA-N 435.322 4.188 5 20 IIBD C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 799052171 FACXMVVEUZAEPT-AEKOTVAKSA-N 445.741 4.412 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)O[C@@H]2CC(C)(C)Oc3ccccc32)ccc1[N+](=O)[O-] 799434390 PBLPBALFLDTHAD-TZIWHRDSSA-N 438.480 4.353 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC(c2ccc(OC)c(C)c2)=NO1 801376796 NQAWTNVJHRVPSU-KRWDZBQOSA-N 443.525 4.337 5 20 IIBD C[C@H](C(=O)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])n1ccc2ccccc2c1=O 805910602 VHUFROMUKHWGSE-ZHRRBRCNSA-N 429.432 4.199 5 20 IIBD C[C@@H](OC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(S[C@H]2CCCCNC2=O)cc1 809044725 BWUOTZYFCRKOSL-QRWLVFNGSA-N 428.510 4.203 5 20 IIBD O=C(NC1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1)c1ccc(F)cc1 809932843 HKCHMAIXEQJSCB-UHFFFAOYSA-N 426.275 4.435 5 20 IIBD CC[C@@H]1[C@@H](c2nc(Cc3ccc([N+](=O)[O-])c(OC)c3)no2)CCN1C(=O)OC(C)(C)C 810303025 STGYXBGBQSOSNS-LSDHHAIUSA-N 432.477 4.080 5 20 IIBD Cc1nc(C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)nn1-c1ccc(F)cc1 811215208 PUNWDKJSTUUQTN-UHFFFAOYSA-N 439.428 4.104 5 20 IIBD Cc1c(C(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 812319123 VTHIGNNRJOBQDX-UHFFFAOYSA-N 435.318 4.268 5 20 IIBD O=C(CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])Nc1ccc(Br)cc1 812920684 ZHBCXDQKPCJULN-UHFFFAOYSA-N 447.072 4.033 5 20 IIBD Cc1ccc(C)c(SCc2nc(=O)c3c(C)c(C(=O)OC[C@@H](C)[N+](=O)[O-])sc3[nH]2)c1 813108470 GHKXCMNCAWBHJP-GFCCVEGCSA-N 447.538 4.024 5 20 IIBD C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 813613735 QNDDHPFGMCUWEF-CWTRNNRKSA-N 435.402 4.465 5 20 IIBD COc1ccc(C(=O)N2CCC[C@@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1[N+](=O)[O-] 814431591 MXCNHPRVFQVPIP-MSOLQXFVSA-N 447.532 4.103 5 20 IIBD O=C(CN1CCC2(CCN(Cc3ccccc3)CC2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] 814640917 XGVKZXBDEMPTRU-UHFFFAOYSA-N 442.947 4.175 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl 815405894 MXFAKWFTYHUAHD-UHFFFAOYSA-N 427.240 4.323 5 20 IIBD C[C@H](c1ccc(F)cc1)N1CCC[C@@H](OC(=O)CSc2ccc([N+](=O)[O-])cc2)C1=O 816404829 CRWMAVISIRIUAN-AUUYWEPGSA-N 432.473 4.121 5 20 IIBD Cc1ccc(-n2cnnc2SCC(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1C 841778855 FTBWEDPGAJLAFL-UHFFFAOYSA-N 445.932 4.196 5 20 IIBD CC(C)(C)OC(=O)NCCN1C(=O)c2ccccc2N[C@@H]1c1cc(Cl)ccc1[N+](=O)[O-] 877854344 CANGLIAZMMLFLC-SFHVURJKSA-N 446.891 4.339 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)Cc3ccccc3[N+](=O)[O-])cc2[N+](=O)[O-])C1 917101787 BJYSOOHZAHHAGF-HOTGVXAUSA-N 426.473 4.258 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2CCc2ccccc2)cc1Br 917918251 NPPIWNNJLUICJR-HNNXBMFYSA-N 439.331 4.143 5 20 IIBD C[C@H](OC(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 919443548 QQCNDQBOERRUHY-VHSXEESVSA-N 445.230 4.378 5 20 IIBD CC(=O)N1Cc2ccc(NC(=O)c3ccc(N4C[C@H](C)C[C@@H](C)C4)c([N+](=O)[O-])c3)cc2C1 1116218053 GYOMFRUJRGVSMG-HZPDHXFCSA-N 436.512 4.192 5 20 IIBD Cc1ccc(Sc2ccc(CN[C@@H](Cn3cc(Cl)cn3)C(=O)O)cc2[N+](=O)[O-])cc1 1320872317 MDBKAEAWSUJQPY-KRWDZBQOSA-N 446.916 4.147 5 20 IIBD Cc1cncc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])o4)CCC3)cc2)c1 1786855768 ZYLACMYEJPOTMR-UHFFFAOYSA-N 448.479 4.272 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4occc4C)CCC3)cc2)ncc1[N+](=O)[O-] 1788766407 LQCNGDCOEJDJLR-UHFFFAOYSA-N 434.452 4.261 5 20 IIBD Cc1cc(C)c(C(=O)NC2(c3ccc(NC(=O)c4n[nH]cc4[N+](=O)[O-])cc3)CCC2)c(C)c1 1789693950 OMIYPENRDUWCQW-UHFFFAOYSA-N 447.495 4.305 5 20 IIBD C/C=C(/C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc([N+](=O)[O-])c(OC)c3)CCC2)cc1 1791226924 FTYXJSNALNOPFG-XRVIQIRUSA-N 437.496 4.246 5 20 IIBD Cc1ccccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)n[nH]1 1814968020 PODIUIOTBJBCBG-SINXNMPMSA-N 449.467 4.239 5 20 IIBD CC/C=C(\C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1823681828 ZQJXFLGCTXTSOJ-BLJICVJPSA-N 427.545 4.113 5 20 IIBD CSc1ccc(C(=O)O[C@H](C)C(=O)Nc2ncc(Cl)cc2Cl)cc1[N+](=O)[O-] 9621287 HFTYNLNZVSBJHE-MRVPVSSYSA-N 430.269 4.203 5 20 IIBD COc1cc(COC(=O)c2cccc(Br)c2)c([N+](=O)[O-])cc1OC(F)F 10387591 DFRYDTKKRRICPQ-UHFFFAOYSA-N 432.173 4.324 5 20 IIBD CN(C(=O)COC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 10551760 XZUNOIYKSCLXDF-UHFFFAOYSA-N 447.658 4.140 5 20 IIBD COc1ccccc1N(C(C)=O)c1nc(COC(=O)c2ccc([N+](=O)[O-])cc2)cs1 10646931 VLQMYRHNVLSVAN-UHFFFAOYSA-N 427.438 4.102 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C(=O)N(c1nccs1)C1CCCCC1 14048636 GJSDPLAAQGFSGR-CQSZACIVSA-N 446.529 4.029 5 20 IIBD COc1ccc(OC)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Nc2ccccc2)c1 16099422 MUVXKOWDFNRRMT-UHFFFAOYSA-N 429.454 4.156 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1ccc(N2CCCCC2)cc1 22044595 WPWDTNQWDPVLDL-AWEZNQCLSA-N 431.876 4.423 5 20 IIBD COc1cc(NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cc(OC)c1 24598856 GLAQARWNCOIEFY-UHFFFAOYSA-N 449.463 4.161 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(N[C@@H](C)c2ccccc2OC(F)F)c([N+](=O)[O-])c1 26718493 PHGBYIWKFNVHGE-ZDUSSCGKSA-N 443.472 4.400 5 20 IIBD CCCn1c(Sc2nc3sccn3c2[N+](=O)[O-])nc2sc3c(c2c1=O)CCC3 29163699 PZCPSLKPQSYZHB-UHFFFAOYSA-N 433.540 4.125 5 20 IIBD CC(=O)Nc1cc(NC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])ccc1C 57646450 TXFRJSCHLPJLED-LJQANCHMSA-N 442.472 4.066 5 20 IIBD COc1cc(C(=O)Nc2ccc(F)c(NC(=O)c3ccoc3C)c2)c([N+](=O)[O-])cc1OC 60666734 NKFVWJSGYYTJRI-UHFFFAOYSA-N 443.387 4.157 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)c([N+](=O)[O-])c1 60738746 HMPZZZAAFUZVEX-UHFFFAOYSA-N 442.428 4.087 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)Nc2cnc(C(C)(C)C)nc2)cc1[N+](=O)[O-] 63817865 OSWNOUAKTVKJQW-UHFFFAOYSA-N 447.495 4.232 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCN(Cc2cccc(Cl)c2)CC1 65085189 BHQZVKDAKXHLMV-UHFFFAOYSA-N 442.928 4.330 5 20 IIBD O=C1[C@@H](Sc2nc(C(F)(F)F)nc3ccccc23)CCN1c1cccc([N+](=O)[O-])c1 78768284 UIGNMUXJLWVHLS-HNNXBMFYSA-N 434.399 4.454 5 20 IIBD COc1ccc(N(C)C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1OC 109136165 NNYWJAKYSAMYSU-HNNXBMFYSA-N 436.468 4.457 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N[C@H]1CCOC2(CCCC2)C1 301688052 IVTQJJZQVRJEOW-KRWDZBQOSA-N 437.562 4.063 5 20 IIBD CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 303076679 AXJFVXZUEWVDHZ-CQSZACIVSA-N 449.914 4.412 5 20 IIBD Cc1ccc(CNC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(OCCCC(C)C)c1 426071399 SPWGKHUGVUMEKE-UHFFFAOYSA-N 443.548 4.461 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(CCO)[C@@H]1CCCc2ccccc21 426272975 BXGQXFQIRJNQHZ-LJQANCHMSA-N 437.418 4.195 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CN[C@H](c1cc(OC)c(OC)c(OC)c1)C(F)(F)F 430214703 FDPUXAFQKVWRNH-GOSISDBHSA-N 430.379 4.022 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn23)C1 430222862 GMNXMGZTADXHKJ-AWEZNQCLSA-N 435.406 4.045 5 20 IIBD CC(C)(C(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1F 430465106 OWSBYNGSQIDJBK-NZQKXSOJSA-N 432.467 4.041 5 20 IIBD C[C@@H]1CCN(CCOc2ccc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])cc2)C1 431326387 BTZWIRADOKUHFG-CQSZACIVSA-N 448.317 4.330 5 20 IIBD C[C@@]1(CCc2ccccc2)CCN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 434254576 DHDKOPIEHSECBW-XMMPIXPASA-N 437.496 4.154 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCc2cc(Cl)cc(Cl)c2[C@@H]1C 434594785 IMXPQVBFRSTHQV-RYUDHWBXSA-N 436.295 4.166 5 20 IIBD O=C1CCC(=O)N1c1ccc(C(=O)N2CCCC[C@@H]2CCCc2ccccc2)cc1[N+](=O)[O-] 435915200 ISJUIFFZKUJEFG-HXUWFJFHSA-N 449.507 4.266 5 20 IIBD O=C(Nc1ccccc1)NC1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 436140222 QOILQFJEBRQSFW-UHFFFAOYSA-N 440.503 4.108 5 20 IIBD Cc1ccc(-c2ccncc2)cc1NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 437043168 OOFSARSHVGMQME-UHFFFAOYSA-N 430.464 4.095 5 20 IIBD COc1cc(CCNC(=O)Nc2cccc(CC(F)(F)F)c2)c([N+](=O)[O-])cc1OC 438561922 NBPAELAWFRFCJN-UHFFFAOYSA-N 427.379 4.081 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCC34CCCN3CCC4)c([N+](=O)[O-])c2)c(C)c1 439120141 QOGUUWJVXCGKPT-UHFFFAOYSA-N 444.557 4.053 5 20 IIBD O=C(Nc1cccc(CN2CCC(O)CC2)c1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444177504 WTKHHIHVVIICBN-UHFFFAOYSA-N 445.494 4.029 5 20 IIBD C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 444408077 GAWXAVUKBYEGRL-YCRPNKLZSA-N 429.904 4.451 5 20 IIBD O=C(N=c1nc(Cc2ccccc2)[nH]s1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444688256 JAXSKIGYELLLOW-UHFFFAOYSA-N 448.454 4.076 5 20 IIBD O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1sc(Br)cc1[N+](=O)[O-] 444827742 JZPJDVUAQAJCBO-UHFFFAOYSA-N 442.272 4.052 5 20 IIBD CN(Cc1ccc(OC(F)F)cc1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br 445650737 UAXXSYKIQHVGSC-UHFFFAOYSA-N 429.217 4.160 5 20 IIBD CN(C)CCn1ccc2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Br)cc21 446032321 XUVMVFVWYXLMOB-UHFFFAOYSA-N 445.317 4.055 5 20 IIBD COc1cccc(C2(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CCOCC2)c1F 447293100 UGYLEDAUXIMIIP-UHFFFAOYSA-N 446.478 4.265 5 20 IIBD C[C@H](Sc1ccc(Br)cc1[N+](=O)[O-])C(=O)N[C@H]1CCOc2ccccc21 447350693 UASLRMPURJCQJF-FZMZJTMJSA-N 437.315 4.478 5 20 IIBD CN(Cc1ccccc1)Cc1cccc(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c1 461412040 XKYLUGHUQFFSDY-UHFFFAOYSA-N 431.492 4.262 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(-n3nc(C)cc3C)cc2)cc1OC 461576584 ZFBZUTJYAZBJGD-INIZCTEOSA-N 438.484 4.296 5 20 IIBD Cc1cc(NCc2ccc(N3CCCS3(=O)=O)cc2)c(C(F)(F)F)cc1[N+](=O)[O-] 461934791 LMRLQVCSDSEGRJ-UHFFFAOYSA-N 429.420 4.074 5 20 IIBD COc1ccc(C)c2c1N(S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])CCC2 462158564 WNQOZCQXDCMVMP-UHFFFAOYSA-N 431.297 4.360 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N(Cc1ccccc1)C[C@@H]1CCCO1 462173834 FDPKHAWVBHWLJQ-HNNXBMFYSA-N 445.324 4.272 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 462770711 XYNBIOSZWLFULG-UZLBHIALSA-N 434.439 4.365 5 20 IIBD COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 463540503 FWRCCYQPLJBDAI-CYBMUJFWSA-N 443.809 4.284 5 20 IIBD COCCn1c(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)nc2ccccc21 464347424 YFYXQLJEPLVTOP-UHFFFAOYSA-N 437.500 4.080 5 20 IIBD CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 464720033 RTPLRELXXQBMEC-QGZVFWFLSA-N 443.504 4.011 5 20 IIBD Cc1ccc(Cl)c(N(Cc2cccnc2)C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c1 466618702 MEINEIZOCYPWIR-UHFFFAOYSA-N 448.870 4.379 5 20 IIBD Cc1ccc(C(=O)Nc2cccc(CNS(=O)(=O)c3cc([N+](=O)[O-])c(C)s3)c2)cc1 467418687 KQHKPBRPRJQBEC-UHFFFAOYSA-N 445.522 4.004 5 20 IIBD COc1cc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3n2C(C)C)ccc1[N+](=O)[O-] 468956935 OGLQRPJQGBVYDN-LJQANCHMSA-N 444.513 4.060 5 20 IIBD COc1cc(C(=O)N[C@H]2CCC[C@]2(C)CO)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 474142256 NVVHPUWFIIQYMJ-PZJWPPBQSA-N 434.876 4.330 5 20 IIBD COc1ccc(CN(C(=O)CCNc2ccccc2[N+](=O)[O-])c2nccs2)c(OC)c1 474755030 WMGYXINRGIAUJQ-UHFFFAOYSA-N 442.497 4.104 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)N1CCc2ncnc(O)c2C1 476980820 HHPVIVBEALLXNF-UHFFFAOYSA-N 442.884 4.094 5 20 IIBD CCCC[C@@](C)(NC(=O)CCn1cc([N+](=O)[O-])nc1C)c1cccc(Br)c1 478120809 JUGNJRUVRPAKST-LJQANCHMSA-N 437.338 4.474 5 20 IIBD O=c1c(Br)cc([N+](=O)[O-])cn1Cc1nc(-c2ccccc2Cl)cs1 478934997 RQPTYRIYBOAYOJ-UHFFFAOYSA-N 426.679 4.344 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 479495605 KPSFPUCDNARTMU-RYUDHWBXSA-N 427.379 4.180 5 20 IIBD COc1ccc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 480549287 HRZCCDBIEAZIEL-SGTLLEGYSA-N 438.267 4.068 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@H](c2ccc(F)cc2Cl)C1 481620990 JNJPMYAECVBGIF-VOJFVSQTSA-N 442.274 4.441 5 20 IIBD COC(=O)c1c(Br)ccc(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)c1C 486292003 LHEGGVKWPHRZCW-UHFFFAOYSA-N 439.287 4.427 5 20 IIBD Cc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1[N+](=O)[O-] 488001891 VSEDEJQICTVUMR-AWEZNQCLSA-N 445.522 4.257 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 489510177 NYHJFGUJFDZDFL-MRXNPFEDSA-N 449.504 4.316 5 20 IIBD CCCCOc1ccc(NC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)c(C)c1 490769963 BTUCQZPGDQYCCB-UHFFFAOYSA-N 436.468 4.189 5 20 IIBD CN(C(=O)CN[C@H](c1ccccc1OC(F)F)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 491356956 UCKPSISQNHNQPF-MRXNPFEDSA-N 433.333 4.052 5 20 IIBD O=C(CCc1ccncn1)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 494675346 ZRIVEEBJUGDQFC-UHFFFAOYSA-N 430.823 4.219 5 20 IIBD COc1cc(C(=O)N(C)Cc2cc(Br)ccc2Cl)cc([N+](=O)[O-])c1OC 494859415 ZSTBPRWXIBKJAY-UHFFFAOYSA-N 443.681 4.300 5 20 IIBD COCCN(CCCc1ccccc1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 499356801 MUSIKVPZWZLPGM-UHFFFAOYSA-N 425.510 4.440 5 20 IIBD CC(C)c1ccc(C[C@@H](C)NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1 500399950 ZXSSIVFRFWGPPS-MRXNPFEDSA-N 425.485 4.154 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3c(F)c(F)ccc3s2)c(C(F)(F)F)c1 500853949 YCTVQYRVOBEKOE-UHFFFAOYSA-N 439.343 4.302 5 20 IIBD Cn1cnnc1[C@H]1CCCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 503906571 BOBZVRDDXUZVCM-MRXNPFEDSA-N 427.848 4.146 5 20 IIBD Cc1cc(C)n2ncc(-c3noc(-c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)n3)c2n1 504773229 CXRBCLRKEOJAHW-UHFFFAOYSA-N 433.472 4.208 5 20 IIBD O=c1c(Cl)c(N[C@@H](c2ccccc2)[C@@H]2CCCO2)cnn1-c1ccc([N+](=O)[O-])cc1 505777636 ONAXEOIUWCDYJC-ICSRJNTNSA-N 426.860 4.126 5 20 IIBD COc1ccc(CNC(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)cc1[N+](=O)[O-] 506327684 QYTPRKNYGJJFQA-UHFFFAOYSA-N 435.362 4.130 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1ccc(Oc2ccccc2)cc1 506329950 SOXTZGBDYIMFKH-IAGOWNOFSA-N 433.464 4.383 5 20 IIBD COc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 507327198 BQSPIWXIMVRWRX-UHFFFAOYSA-N 442.493 4.003 5 20 IIBD Cc1cc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)nn1-c1ccc(F)cc1F 507524301 BSWRCMDFKAKAPE-HXUWFJFHSA-N 430.436 4.255 5 20 IIBD CCCN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCCN(Cc2ccccc2)C1 508454678 ITOXKXPBWJAQHG-QHCPKHFHSA-N 447.539 4.297 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(NC(=O)c2ccncc2)cc1 509684931 VGFCQPWZUFRKIB-UHFFFAOYSA-N 447.495 4.362 5 20 IIBD O=[N+]([O-])c1ccc(N[C@H](c2ccc(F)cc2)C2CCC2)c(S(=O)(=O)N2CCCC2)c1 511383738 YAMBSJHMYUNLAH-NRFANRHFSA-N 433.505 4.472 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 513004244 NAQIIAIEGQSZFY-REPLKXPHSA-N 435.480 4.220 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@@H](COc2ccccc2Cl)C1 513894595 PZJLZUZAYQDQHK-MRXNPFEDSA-N 440.887 4.365 5 20 IIBD COc1cc(CN2CCCN(CC3CCCCC3)CC2)c([N+](=O)[O-])cc1OC(F)F 515510839 XYOSGYRYBLFNBD-UHFFFAOYSA-N 427.492 4.293 5 20 IIBD CC(C)CN(Cc1ccccc1F)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 518906632 LZYWVLXSHNFTLT-KRWDZBQOSA-N 433.505 4.085 5 20 IIBD COc1ccc(CSCC(=O)NCc2nc3cc(Cl)ccc3s2)cc1[N+](=O)[O-] 520406121 BWXSGQKYARVQEK-UHFFFAOYSA-N 437.930 4.416 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cccc(CS(=O)(=O)c2ccccc2)c1 521083165 XRMWRSAWDWSIPL-UHFFFAOYSA-N 439.493 4.009 5 20 IIBD CC[C@H]1CCCN(C(C)(C)CNC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)C1 521373635 IAVBSKGTMIYAOC-IBGZPJMESA-N 441.576 4.087 5 20 IIBD C[C@@H](Sc1ccc(Br)cc1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 521868393 QPNPFLNCWUOBSM-GFCCVEGCSA-N 425.304 4.033 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCCCCN1CCC(Cc2ccccc2)CC1 521869109 JFEDZXCNMXXZTA-UHFFFAOYSA-N 438.572 4.471 5 20 IIBD O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 522118846 NBQVSNPJHRILNH-UHFFFAOYSA-N 440.456 4.026 5 20 IIBD CCOc1ccc(NC(=O)Cn2c(-c3ccccc3)c(CC)sc2=O)c([N+](=O)[O-])c1 525112702 XBOWJQFVCFEJPP-UHFFFAOYSA-N 427.482 4.085 5 20 IIBD Cc1c(Cn2nc(-c3ccc(I)cc3)nc2C)cccc1[N+](=O)[O-] 525694395 GXCHTEPWLPFDON-UHFFFAOYSA-N 434.237 4.123 5 20 IIBD CN(C)Cc1ccc(-c2noc(CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)cc1 531110188 PRYGOWNLGCRPSV-UHFFFAOYSA-N 435.406 4.380 5 20 IIBD O=C(Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1)c1cc2c(cc1[N+](=O)[O-])OCO2 533473681 BATKCNDXKDTYDJ-UHFFFAOYSA-N 429.392 4.028 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H]1Cn1cnc2ccccc21 535196012 JUJRYCQJOOTQRE-GDBMZVCRSA-N 428.876 4.056 5 20 IIBD COc1cccc(Oc2ccc(CNC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)cn2)c1 535349801 LBMTXVQVSIAHFF-UHFFFAOYSA-N 432.436 4.131 5 20 IIBD COCCc1noc(CN(C)Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)n1 536661305 RFBDLLPTTDPGEK-UHFFFAOYSA-N 428.514 4.258 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)[C@H](C)Nc1cc2ncnc(O)c2cc1[N+](=O)[O-] 536897222 QFFZQACSAZURIO-DYZYQPBXSA-N 433.262 4.194 5 20 IIBD COc1cn(-c2ccccc2)nc1C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 537150809 SUPYHBRSKJLATK-UHFFFAOYSA-N 435.465 4.189 5 20 IIBD CCN(C[C@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1)CC(F)(F)F 537648872 WRUITPQSTWNPIQ-CQSZACIVSA-N 428.480 4.424 5 20 IIBD CC[C@]1(C)COCCN1C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 537807254 USWWAVKVCXSTHB-XMMPIXPASA-N 434.496 4.018 5 20 IIBD CCc1cnccc1[C@@H](C)NC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 538013805 HPZJPAWPVSGIMG-GFCCVEGCSA-N 425.411 4.043 5 20 IIBD Cc1ccc([C@@H](C)N[C@H](C)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1[N+](=O)[O-] 538018880 YASKJFPPXVKWJY-IAGOWNOFSA-N 443.525 4.387 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(SCc2cccnc2)cc1 539949579 BEQWSRRZTAFKNF-UHFFFAOYSA-N 431.495 4.092 5 20 IIBD CCN(CCC1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1)CC1CC1 540017057 NJABSFGFBOUJSF-UHFFFAOYSA-N 428.577 4.169 5 20 IIBD COCC[C@@H](Cc1ccco1)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 542261513 NKPGXPKHIXTURR-KRWDZBQOSA-N 445.497 4.048 5 20 IIBD O=C(N[C@@H]1CCN(c2ccccn2)C1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 542652167 ZKBUORXYVGYSCW-QGZVFWFLSA-N 426.542 4.281 5 20 IIBD CCN(CC)CCCC1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 543024424 QNHDHSHGJUIXEH-UHFFFAOYSA-N 426.355 4.332 5 20 IIBD Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F 543479609 BYWLOSAYMICADN-LLVKDONJSA-N 430.436 4.276 5 20 IIBD CCOc1cccc2cc([C@@H](C)NCCC(=O)Nc3cc([N+](=O)[O-])ccc3OC)oc12 543517777 QEPOGRIIIVUJNI-CQSZACIVSA-N 427.457 4.428 5 20 IIBD COc1cc(Cc2noc(/C=C\c3cc(Cl)c(OC)c(OC)c3)n2)ccc1[N+](=O)[O-] 545052673 QDPZMWKEBMSXNY-ALCCZGGFSA-N 431.832 4.418 5 20 IIBD CN(C)C(=O)Nc1ccc(Cl)c(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)c1 545075188 FENDRNPPEFJRAZ-UHFFFAOYSA-N 440.847 4.464 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F 545119310 CBLXPMNMAWSVAR-SNVBAGLBSA-N 430.402 4.265 5 20 IIBD CN(C)CCOc1ccccc1-c1noc(-c2ccc([N+](=O)[O-])cc2Br)n1 545787973 AUHONTZHADIDKU-UHFFFAOYSA-N 433.262 4.015 5 20 IIBD COc1cc(-c2noc(CCn3nc(C)c([N+](=O)[O-])c3C)n2)cc(Cl)c1OC(C)C 546232846 MGMDSXYDWKPDED-UHFFFAOYSA-N 435.868 4.150 5 20 IIBD O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 549151772 FAAJPQAFMBWQBH-UHFFFAOYSA-N 429.786 4.016 5 20 IIBD Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 551767808 FUDHROODHAJODD-FPOVZHCZSA-N 439.512 4.176 5 20 IIBD O=C(NCc1cc(Br)ccc1F)Nc1cc([N+](=O)[O-])ccc1OC(F)F 556403191 CCNJWZIPVJWTLW-UHFFFAOYSA-N 434.168 4.420 5 20 IIBD CSc1cccc(F)c1CNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 560705486 DAUSIAHWEUYMRZ-UHFFFAOYSA-N 428.489 4.247 5 20 IIBD COc1ccc(CNC(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1[N+](=O)[O-] 565312711 WMVTXNVSJDZLPX-UHFFFAOYSA-N 435.362 4.130 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] 567098043 DOZJCWCNKVQNNF-RDJZCZTQSA-N 427.476 4.422 5 20 IIBD CC[C@@H](C)N[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccco1 572750509 AYTSGKSJCOTVOB-ZUOKHONESA-N 439.462 4.412 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 573707592 CXFMHQGHHFYBHJ-SFHVURJKSA-N 447.944 4.040 5 20 IIBD Cc1c(C(=O)N(C)c2ccc(Cl)c(C(F)(F)F)c2)nnn1-c1cccc([N+](=O)[O-])c1 573910372 ZBKCJOURLVQEPB-UHFFFAOYSA-N 439.781 4.433 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1c2ccccc2CC12CCOCC2 575323856 HYRUKAQOBDLBFL-VBKZILBWSA-N 430.888 4.226 5 20 IIBD C[C@@H]1C[C@H](CCN[C@@H](c2ccc([N+](=O)[O-])cc2)c2nccn2C)CN1Cc1ccccc1 584069022 HEZJZFUKEJOGSU-IZIIKQMZSA-N 433.556 4.308 5 20 IIBD O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 603572788 GPKYCSRSZYUXBP-IUCAKERBSA-N 442.312 4.005 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N(c1ccccc1)c1nc2ccccc2s1 603945451 VAUXKUYCINTMSA-UHFFFAOYSA-N 446.444 4.477 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NC[C@@H]1Cc2ccccc21 604107507 DOIUCDLZAQZMER-FQEVSTJZSA-N 438.487 4.446 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C[C@H]1CCCO[C@@H]1c1ccccc1 604520836 VINDZXFKVZFVMI-WZONZLPQSA-N 427.501 4.032 5 20 IIBD O=C(Nc1ccc(F)cc1)[C@@H]1CCc2ccccc2N1C(=O)Cc1ccc([N+](=O)[O-])cc1 608871347 BBWMLVZJUDGYOS-QFIPXVFZSA-N 433.439 4.263 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 608877402 FBHVPKIGVYRXKB-XIKOKIGWSA-N 436.295 4.384 5 20 IIBD O=C(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)Nc1cc(C(F)(F)F)ccc1Cl 609054051 NXQCNCQTASVZTQ-UHFFFAOYSA-N 425.754 4.164 5 20 IIBD O=C(Nc1cccc(-c2ccc3c(c2)OCCO3)n1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 609382160 RYNOEYRSMINIKN-UHFFFAOYSA-N 432.436 4.255 5 20 IIBD COCCN(C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)C1CCCC1 609854860 LBARWKFVRCKRSW-UHFFFAOYSA-N 427.288 4.119 5 20 IIBD COc1cc(C(=O)N[C@@H](C(C)(C)C)C(F)(F)F)c([N+](=O)[O-])cc1OCc1cscn1 610412321 AZDQBFRPDGHYHX-INIZCTEOSA-N 447.435 4.346 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@H]2CCC(F)(F)C2)c([N+](=O)[O-])c1 610785949 IDGSVALKCSYWMB-AWEZNQCLSA-N 425.457 4.410 5 20 IIBD O=C(N[C@@H]1CCN(C2CCCCC2)C1=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] 619656350 ZMYXBTYAICEIQO-GOSISDBHSA-N 439.537 4.409 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NC[C@H](O)COc3cccc(F)c3)c([N+](=O)[O-])c2)cc1 727430853 FQTXJDQLTXCXLK-IBGZPJMESA-N 439.443 4.146 5 20 IIBD O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1cc(F)c(F)cc1[N+](=O)[O-] 727707497 KEHXHHLHDXORBY-UHFFFAOYSA-N 446.435 4.085 5 20 IIBD Cc1cc(OS(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)ccc1[N+](=O)[O-] 727834705 SZTXBCGEEMNJEN-UHFFFAOYSA-N 437.367 4.088 5 20 IIBD Cc1cc(OCc2ccccc2)ccc1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 735307510 MCXOQUDYMJBILG-UHFFFAOYSA-N 435.436 4.262 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1cc(Br)c2c(c1)OCCO2 735821415 FAVDJAHOVZJBCL-UHFFFAOYSA-N 427.638 4.343 5 20 IIBD COC(=O)c1cc(NC(=O)C23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)cc([N+](=O)[O-])c1 735827815 CTIULEICVCEMQW-TYGXQLQZSA-N 437.290 4.054 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1coc(-c2ccccc2)n1 737475183 BBQYHLWAABVPKY-UHFFFAOYSA-N 433.424 4.351 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC([C@H](O)c2ccc(F)cc2)CC1 739735020 SIPRSEPDPOQYMK-GOSISDBHSA-N 437.265 4.082 5 20 IIBD CCc1ccc([C@@H]2CCCCCN2C(=O)COc2cc([N+](=O)[O-])c(C=O)cc2OC)o1 739775740 ZVUJPWAFBLJSLP-KRWDZBQOSA-N 430.457 4.094 5 20 IIBD CC(C)[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)N[C@H]1CCCC[C@H]1C 740410338 OFUWDLBBLHFWKK-DQYPLSBCSA-N 441.322 4.234 5 20 IIBD O=C(OCc1c(F)c(F)c(F)c(F)c1F)c1ccc([N+](=O)[O-])cc1Br 740411139 XNJJUXZIHZDPGI-UHFFFAOYSA-N 426.091 4.410 5 20 IIBD CSc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1Br 740424050 XDXNOCHKNHCJFL-SNVBAGLBSA-N 439.287 4.263 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2cccc(N[C@@H](C)C(C)C)c2C)c([N+](=O)[O-])c1 741746461 FLIBFKVACYIMQX-HNNXBMFYSA-N 429.473 4.164 5 20 IIBD COC(=O)c1cc2cc(COC(=O)c3ccc(Br)c([N+](=O)[O-])c3)ccc2o1 741822208 WKVVKBGWWUDDTL-UHFFFAOYSA-N 434.198 4.247 5 20 IIBD C[C@H](OC(=O)c1cc(Br)cs1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 743042407 LDYFFCJEGVRVDQ-ZETCQYMHSA-N 433.667 4.256 5 20 IIBD CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 743069156 WHJTUDQPNZXHNQ-UHFFFAOYSA-N 433.896 4.043 5 20 IIBD CCOc1ccc(OC(C)(C)C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 744585959 XITRRBLPECJHAP-HNNXBMFYSA-N 430.457 4.030 5 20 IIBD C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 746898918 OGASMLUZDVWWOO-BXUZGUMPSA-N 431.411 4.131 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(Cl)c(C(F)(F)F)c2)c([N+](=O)[O-])c1 747115745 HPHHGRMWANTYMG-SECBINFHSA-N 446.765 4.460 5 20 IIBD O=C(Nc1ccc2c(cnn2C(F)F)c1)c1cc(F)cc([N+](=O)[O-])c1Br 747554324 XHZMVHFGSCJKMO-UHFFFAOYSA-N 429.152 4.494 5 20 IIBD Cc1cc(C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)c(N)c([N+](=O)[O-])c1 749254443 OKUKTBDKLDRGRV-UHFFFAOYSA-N 430.892 4.454 5 20 IIBD O=C(CSc1ccc(F)cc1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 750600058 DOTACNMEXBOSQN-UHFFFAOYSA-N 425.279 4.173 5 20 IIBD COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1Br 751255334 ORLLIZALCOPXIH-UHFFFAOYSA-N 444.079 4.058 5 20 IIBD CO[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1ccc(Cl)cc1 755012402 DOOFACVHWXXNMW-CQSZACIVSA-N 431.645 4.267 5 20 IIBD CCn1ncc(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1-c1ccccc1 755724741 NHQBDXYFCKTCHS-CYBMUJFWSA-N 442.859 4.316 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 757183114 UJLGEYCQTAVKON-OAQYLSRUSA-N 425.510 4.144 5 20 IIBD CN(C(=O)c1cccc(C(=O)O[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1)c1ccccc1 759954168 YEHIUACFSSHUMZ-LEWJYISDSA-N 448.479 4.409 5 20 IIBD CC(C)(C)OC(=O)NCc1ccc(C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)o1 760532072 SQSIVGUPRIOQLB-UHFFFAOYSA-N 443.412 4.225 5 20 IIBD Cc1cc2oc(=O)cc(Cn3cc(Br)c(=O)c([N+](=O)[O-])c3)c2cc1C(C)C 763271610 KFLXTGKBHNZPSL-UHFFFAOYSA-N 433.258 4.106 5 20 IIBD O=C(O[C@H]1CCCN(c2ccccc2F)C1=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 763678946 TZMOYNYYOBUOAG-SFHVURJKSA-N 441.440 4.210 5 20 IIBD CCc1cc(Br)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 764305302 HJRLTVNDMKOQJG-UHFFFAOYSA-N 434.290 4.009 5 20 IIBD Cc1cc(=O)c(C(=O)O[C@@H](C)c2ccccc2[N+](=O)[O-])nn1-c1ccccc1C(F)(F)F 764595025 FDBAXGGJBPYMFX-ZDUSSCGKSA-N 447.369 4.386 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(CCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 769916861 UQKNDAMOKZMMFP-UHFFFAOYSA-N 441.531 4.061 5 20 IIBD COc1ccc(/C=C/C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1O 771938925 KJAQCXCVIZDBSD-WUXMJOGZSA-N 434.404 4.180 5 20 IIBD Cc1cc2ncc(C(=O)O[C@@H](c3ccc(Br)cc3)C(C)(C)[N+](=O)[O-])c(C)n2n1 774366650 KXKHEAJNQDJSCP-KRWDZBQOSA-N 447.289 4.062 5 20 IIBD CN(C)C1CCN(c2ccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)cc2)CC1 774843319 OJFFAUVNRRDYLF-UHFFFAOYSA-N 447.333 4.140 5 20 IIBD COc1ccc(-c2cc(C(=O)O[C@H](c3cccnc3)c3ccccc3[N+](=O)[O-])n[nH]2)cc1 776136730 XSLCVPCQJBTWAI-JOCHJYFZSA-N 430.420 4.335 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H](O)c1c(Cl)cccc1Cl 778931142 RZFUQEKJTOBQPH-ANRSDYALSA-N 435.210 4.355 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 779159736 AOMJZQSHQWDGGE-GOEBONIOSA-N 432.546 4.453 5 20 IIBD CCOC(=O)c1ccnc(NCc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)c1[N+](=O)[O-] 780627450 IFTXDYCIBKVYEA-UHFFFAOYSA-N 442.472 4.029 5 20 IIBD CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1cccc([N+](=O)[O-])c1Br 781673058 IINOGCYPXPTDPH-UHFFFAOYSA-N 449.301 4.341 5 20 IIBD CC(C)[C@@H]1C[C@@H](CC(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 781790489 ONPHJXNRHBWWCA-DCGLDWPTSA-N 446.422 4.325 5 20 IIBD CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2Br)c1 782167182 NMMPEGHGUJDPJO-LBPRGKRZSA-N 434.290 4.272 5 20 IIBD O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 783481222 FXJDEZWQTJMZPO-UHFFFAOYSA-N 437.283 4.469 5 20 IIBD Cc1ccc([C@H](C)NC(=O)NC[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] 784350196 ITIYAXBGWXBCFK-AOMKIAJQSA-N 434.537 4.301 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Oc2ccc(NC(=O)c3ccsc3)cc2)c1[N+](=O)[O-] 790846562 QPVHIKJOBVFVAQ-UHFFFAOYSA-N 432.479 4.293 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1cc(F)ccc1OC[C@H]1CCCO1 790904516 DOSWCNVCABZJAZ-CYBMUJFWSA-N 426.803 4.265 5 20 IIBD O=C([C@@H]1C[C@]12CCc1ccccc12)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791173376 SQSGCOVHGWPJKJ-UWJYYQICSA-N 427.298 4.146 5 20 IIBD Cc1onc(-c2cccc(Cl)c2)c1C(=O)O[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 796387239 UCEQMESOBRAAOH-LBPRGKRZSA-N 429.816 4.396 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1nc(Cc2ccc3n[nH]cc3c2)no1 800119231 FRMJLLYQZUBECL-UHFFFAOYSA-N 432.362 4.118 5 20 IIBD O=C(OCc1nc2ccccc2c2ccccc12)[C@H]1CCCN(C(=O)c2ccncc2)C1 803492929 NLFLLAXJBMQSBQ-IBGZPJMESA-N 425.488 4.379 5 20 IIBD CN(C)C(=O)Sc1cc(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)ccc1Cl 805433172 BPTHVIHYYXLUMA-MRXNPFEDSA-N 448.888 4.154 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3cccc4oc(C)nc34)CC2)ccc1[N+](=O)[O-] 805887000 OXGRAQITYOUULX-UHFFFAOYSA-N 425.441 4.269 5 20 IIBD C[C@H](OC(=O)c1nc2ccccc2cc1Br)C(=O)Nc1ccc([N+](=O)[O-])cc1 808704368 BTKZGMRLFHQGDM-NSHDSACASA-N 444.241 4.090 5 20 IIBD O=C(NC1CC1)c1ccc(-c2noc(-c3cc([N+](=O)[O-])ccc3N3CCCCC3)n2)cc1 809278160 DFFPYBCBBSOADH-UHFFFAOYSA-N 433.468 4.194 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2-c2nc(-c3cccc(-n4cccn4)n3)no2)CC1 809418087 UOZLSVBLMKAFRG-UHFFFAOYSA-N 431.456 4.129 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1=S 811790312 LZEOIBOGOKIKSQ-ZWKOTPCHSA-N 429.546 4.000 5 20 IIBD Cc1ccc(C)c(N2C(=O)c3ccc(-c4nc(CCC(C)(C)[N+](=O)[O-])no4)cc3C2=O)c1 812812067 VDEXOVYDJSMGBU-UHFFFAOYSA-N 434.452 4.142 5 20 IIBD O=C(NC[C@H]1CSCCN1Cc1ccccc1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813232106 KUDMVPBDAJNPKH-HNNXBMFYSA-N 440.352 4.249 5 20 IIBD O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)C1CCC(OC[C@H]2CCCO2)CC1 815347072 UCZZZOUFDRZNNE-UYSNPLJNSA-N 442.306 4.155 5 20 IIBD CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)OC(=O)CSc1ccccc1[N+](=O)[O-] 856204047 VGZQRUKOFZXYPU-CYBMUJFWSA-N 442.449 4.206 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 913268291 ZAKZVCFZBNAYJW-UHFFFAOYSA-N 448.435 4.343 5 20 IIBD C[C@@H](OC(=O)COc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 914909105 BWFLNSRSNRRFME-VXGBXAGGSA-N 441.267 4.090 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)c2ccccc2SCc2ccco2)cc([N+](=O)[O-])c1C 916773991 XLZMNZUOONQILL-UHFFFAOYSA-N 446.506 4.216 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCCCc1nc2ccccc2s1 918530959 WDAXPVFHXLIKKA-UHFFFAOYSA-N 441.465 4.069 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc2nc(CN3CCCCC3)[nH]c2c1 1115967037 FIKNOISCJVTABY-UHFFFAOYSA-N 425.514 4.188 5 20 IIBD Cc1c(-c2nnc(-c3ccc(Cn4nnc(-c5ccccc5)n4)cc3)o2)cccc1[N+](=O)[O-] 1257629400 IIOPKNQZZQFZDP-UHFFFAOYSA-N 439.435 4.322 5 20 IIBD CC(C)n1nc(-c2nnc(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)o2)c2ccccc2c1=O 1257635959 SGNATCHNPZIWAB-UHFFFAOYSA-N 446.467 4.203 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cnn(C2CCCCC2)c1 1318397230 KYETWSOYVBFIED-UHFFFAOYSA-N 425.411 4.157 5 20 IIBD COc1cc(CN2CCc3ccc([N+](=O)[O-])cc3C2)c([N+](=O)[O-])cc1OCC(F)(F)F 1319706997 HLWQNPSFJZMUAB-UHFFFAOYSA-N 441.362 4.011 5 20 IIBD Cc1c(I)cccc1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 1322721517 YOECHTNDYIXPSY-UHFFFAOYSA-N 439.253 4.214 5 20 IIBD COc1ccc(Br)c(-c2nnc(Cn3ccc4cc([N+](=O)[O-])ccc43)o2)c1 1324183880 QAJDSXTXRAOPBF-UHFFFAOYSA-N 429.230 4.419 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCCc2ccc(C(F)(F)F)cn2)CC1 1520828980 TZMQOOLVYNWNNO-UHFFFAOYSA-N 436.434 4.217 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CCC[C@H]4C)CCC3)cc2)ncc1[N+](=O)[O-] 1788766338 HHRWUBAITLQGQA-BEFAXECRSA-N 436.512 4.482 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1)c1cc2cnccc2[nH]1 1789357274 WZESSXJKXPKIRF-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD CC(=O)C[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3F)CCC2)cc1 1791541271 SSLUYSFCMMTGLN-AWEZNQCLSA-N 441.459 4.097 5 20 IIBD Cc1scc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c(F)ccc([N+](=O)[O-])c2C)C3)c1C 1795332680 KFARIDUCHWODBZ-MUJYYYPQSA-N 445.516 4.286 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)[nH]n1)c1ccccc1 1820404232 MPIJCORNMLGYNZ-IBGZPJMESA-N 437.431 4.077 5 20 IIBD C[C@]1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)CC=CCC1 1823617054 YHOCHJIAWOFBDB-JPYJTQIMSA-N 429.517 4.168 5 20 IIBD O=C(CC1CCC1)N1CCC([C@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1824842771 VWESRNCSRLZQTF-HSZRJFAPSA-N 441.572 4.337 5 20 IIBD CC(C)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 1826340125 JWDNAJFIPBRFRT-FQEVSTJZSA-N 449.979 4.457 5 20 IIBD C/C=C/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1831364191 GCBLMEIAEZZJOE-MESDEOKJSA-N 429.492 4.100 5 20 IIBD COc1cc(COC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c([N+](=O)[O-])cc1OC(F)F 12451772 SFYXBUGJMXGAPM-UHFFFAOYSA-N 432.719 4.123 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3Cl)cs2)cc1[N+](=O)[O-] 14375362 VWVMMNDIGHUGHQ-UHFFFAOYSA-N 437.886 4.028 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 15410925 QSJNADYACUOGBI-IRXDYDNUSA-N 425.485 4.324 5 20 IIBD NC(=O)c1ccc(COC(=O)COc2ccc(-c3ccccc3)cc2Cl)c([N+](=O)[O-])c1 16129920 INPHNGNGQJNEKU-UHFFFAOYSA-N 440.839 4.136 5 20 IIBD CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1cccc([N+](=O)[O-])c1 19009082 APTYBTBQCVTTHL-UHFFFAOYSA-N 445.431 4.042 5 20 IIBD O=C(CSc1nn(-c2ccccc2)c(=S)s1)N1CCc2ccc([N+](=O)[O-])cc21 23498843 UPTJXNNFTFQYKD-UHFFFAOYSA-N 430.536 4.253 5 20 IIBD O=C(Nc1cnc2ccccc2c1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 25530492 YSVDZLQOUQVWDM-UHFFFAOYSA-N 448.460 4.196 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)N1CCCC1 27571009 NKLWDFBQQIVASK-OXQOHEQNSA-N 429.542 4.037 5 20 IIBD CC(=O)Oc1ccc(-c2ccc(C(=O)O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1 28606054 JXNCUGNPMGTADH-HNNXBMFYSA-N 448.431 4.371 5 20 IIBD CCCCc1oc2ccccc2c1CN(C)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 60963254 NUHQXOLLIWEWHZ-UHFFFAOYSA-N 444.509 4.359 5 20 IIBD CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CCn1cc([N+](=O)[O-])nc1C 61134333 WCLWKFNVVRHRJR-UHFFFAOYSA-N 428.470 4.034 5 20 IIBD CC(=O)N(c1nc(Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)cs1)c1ccc(C)cc1C 71857938 XGBUUTNPLJTWIV-UHFFFAOYSA-N 449.492 4.111 5 20 IIBD CC[C@H](C(=O)N1CCC(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1)c1ccccc1 72056847 HVCNFSXQOSMCAV-SFHVURJKSA-N 429.904 4.163 5 20 IIBD O=C(CN1CCC(Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1)Nc1ccccc1 301859658 DADOFDPKJGVTQF-UHFFFAOYSA-N 431.496 4.172 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1 302522735 JFNXCGPNYLMILQ-OQPBUACISA-N 431.289 4.417 5 20 IIBD CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)C1 427346407 VLGGPTVKIIJHEL-TYBGOBEXSA-N 446.525 4.205 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 427478903 IRXNUFQZVMNPBC-OAHLLOKOSA-N 437.525 4.136 5 20 IIBD CN1C[C@H]2CN(C(=O)C/C(=C\c3ccc([N+](=O)[O-])cc3)c3nc4ccccc4s3)C[C@H]2C1 427776757 GJGOYBOBOYERMY-ICDZMWOSSA-N 448.548 4.155 5 20 IIBD COc1ccc(S(=O)(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)cc1[N+](=O)[O-] 427803281 AXWREVSVSIPRRH-UHFFFAOYSA-N 439.493 4.019 5 20 IIBD O=C(CCC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc(-c2ccccc2)cc1 427805959 QNMIVFWPRSACCC-UHFFFAOYSA-N 432.480 4.285 5 20 IIBD CC(C)c1[nH]nc(C(=O)Nc2cnn(-c3ccc(F)cc3)c2C(F)(F)F)c1[N+](=O)[O-] 428020144 CZRKGLHAQXVQKH-UHFFFAOYSA-N 426.330 4.037 5 20 IIBD O=C(NCCOc1cccc(C(F)(F)F)c1)c1ccc(Br)cc1[N+](=O)[O-] 429879235 XNYAEHNQUHXXQF-UHFFFAOYSA-N 433.180 4.185 5 20 IIBD CC(C)(NC(=O)Cc1csc(NC(=O)c2ccccc2F)n1)c1ccc([N+](=O)[O-])cc1 430565473 AIDSYJNDAMOKKM-UHFFFAOYSA-N 442.472 4.037 5 20 IIBD CC(C)(NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 430566496 COWXDQSPQVZURJ-UHFFFAOYSA-N 438.505 4.234 5 20 IIBD COc1ccncc1CNc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] 431410225 NIJTWEFACNPOQM-UHFFFAOYSA-N 442.497 4.028 5 20 IIBD Cc1nn(CCC(=O)N2CC3(CCC3)c3cc(Br)ccc32)c(C)c1[N+](=O)[O-] 433726310 ACPMRPLJLGBCSY-UHFFFAOYSA-N 433.306 4.029 5 20 IIBD COC(=O)COc1ccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1Cl 434069482 CQUZLFDNAOFKNJ-UHFFFAOYSA-N 435.864 4.243 5 20 IIBD O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 436246185 YCFLZGRGLJXGLT-SJORKVTESA-N 439.537 4.267 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 437507556 MNZRHJWEKICCRP-NNUKFRKNSA-N 425.229 4.240 5 20 IIBD COc1ccc(C2(CNC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)CCOCC2)cc1 438013590 OADBNMBMEKGMJO-UHFFFAOYSA-N 439.512 4.026 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2cc(Cl)cc(F)c2F)c1 442230080 PERSFDNJZZJZLD-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD Cc1cnc(N2CCN(C(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])CC2)s1 442709589 CGGDIZPUXCDXGA-UHFFFAOYSA-N 440.550 4.473 5 20 IIBD CCOC(=O)[C@@H]1CN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)Cc2ccccc21 444253820 QGOMXSRGXAUDQY-HXUWFJFHSA-N 444.462 4.123 5 20 IIBD CCOC(=O)[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1cccc(C)c1C 444327244 FAVPDBLSNUPSKT-QHCPKHFHSA-N 428.488 4.332 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCn2cccc2[C@H]1c1ccccc1 446005608 ZHDHWEPEDRPXMJ-OAQYLSRUSA-N 440.297 4.333 5 20 IIBD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(Sc3cc(C)ccc3[N+](=O)[O-])o2)c1 446900422 OPVGEFPRXWPCBM-UHFFFAOYSA-N 448.526 4.135 5 20 IIBD Cc1ccc([C@@]2(C)CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)C2)cc1 447690304 CIHZYTHGAOIIEK-DHLKQENFSA-N 435.524 4.006 5 20 IIBD CCCN1C(=O)C2(CCCCC2)N[C@H]1c1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] 463026826 APDUXGRBUSTINE-QGZVFWFLSA-N 445.438 4.088 5 20 IIBD O=C(Nc1ccc(CCC(=O)N2CCCC2)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 463173236 SDIRAVPIGZXQBM-UHFFFAOYSA-N 435.402 4.421 5 20 IIBD COc1ccccc1[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCCC1 463473775 YNVYWUPNOSTAJN-SFHVURJKSA-N 437.418 4.189 5 20 IIBD C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 466268283 XGZLMHSUMNQSBP-ZDUSSCGKSA-N 436.281 4.015 5 20 IIBD Cc1ccc([C@H]2OCCC[C@H]2NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 467795774 CPFZMZIPYRODSK-NVXWUHKLSA-N 445.324 4.409 5 20 IIBD COc1cc(OCC(=O)NC(C)(C)Cc2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] 468309798 WLZNMXLZUCZUFD-UHFFFAOYSA-N 426.391 4.139 5 20 IIBD O=C(CN1CC[C@@H](c2c(F)cccc2F)C1)Nc1ccc([N+](=O)[O-])cc1Br 469462433 IKWASMLCBIRIOJ-LLVKDONJSA-N 440.244 4.064 5 20 IIBD CC(C)(C)OC(=O)CCc1cccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c1 470672148 BHHMHURFFJTTCF-UHFFFAOYSA-N 436.468 4.307 5 20 IIBD Cn1c(C(C)(C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])nc2ccccc21 472593488 XFGIVDKIWFLOEF-UHFFFAOYSA-N 443.312 4.002 5 20 IIBD O=C(c1cc(N2CC[C@]3(CCCN(Cc4ccccc4)C3)C2)ccc1[N+](=O)[O-])N1CCCC1 474178333 UFMWJFOKDUQEAB-SANMLTNESA-N 448.567 4.323 5 20 IIBD Cc1ccc2nc(-c3ccc(NC(=O)Cn4cc([N+](=O)[O-])c(C)cc4=O)cc3)sc2c1 474388016 CXYOFMBIJGVCHI-UHFFFAOYSA-N 434.477 4.289 5 20 IIBD O=c1c(Br)cn(Cc2ccc(OCc3ccc(F)cc3)cc2)cc1[N+](=O)[O-] 477420509 BTQVFVIFWATIRT-UHFFFAOYSA-N 433.233 4.285 5 20 IIBD Cc1cccc(C(=O)N[C@@H](C)CCc2ccc(I)cc2)c1[N+](=O)[O-] 477691943 GTWJFYWQSGZADN-ZDUSSCGKSA-N 438.265 4.259 5 20 IIBD CN(C)C1CCN(c2ccc(NC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)nc2)CC1 478309398 HOPBFMCIGMPTPW-UHFFFAOYSA-N 425.533 4.070 5 20 IIBD COc1ccc([C@H](C)NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1Br 479413190 BXZBCQBLHIDYOI-LBPRGKRZSA-N 445.273 4.043 5 20 IIBD COc1ccc(-c2nnc(NC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)s2)cc1 481974939 QDHGQTAWHIYRMJ-UHFFFAOYSA-N 425.470 4.318 5 20 IIBD CCCc1nnc(Sc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])o1 481979399 UMEAGEZNZJXRCZ-UHFFFAOYSA-N 448.526 4.499 5 20 IIBD CCc1cnccc1CNc1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1[N+](=O)[O-] 485117533 OPXKDUBICPRPDS-UHFFFAOYSA-N 440.525 4.380 5 20 IIBD Cc1ccccc1[C@H]1CN(C(=O)c2sc(Br)cc2[N+](=O)[O-])[C@@H](C)CO1 485878272 ACWZDJNQIKUPFL-SMDDNHRTSA-N 425.304 4.329 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 486313582 BZAQTWYAXCKMGG-UHFFFAOYSA-N 432.318 4.060 5 20 IIBD CC[C@@H](NC(=O)c1cccc(SC)c1[N+](=O)[O-])[C@H](c1ccc(C)cc1)n1cncn1 486409855 QFCKIUVTXVLJNR-MJGOQNOKSA-N 425.514 4.015 5 20 IIBD CN(C)C(=O)C1(CNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CCCC1 487787355 UIOWAIUBJMGLJJ-UHFFFAOYSA-N 427.526 4.124 5 20 IIBD Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)cc2)n1 487840875 LHDUWLIBRBKIPF-QGZVFWFLSA-N 430.468 4.074 5 20 IIBD CCc1ccccc1-n1cnnc1SCC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 488048709 ZJVQQKZCMCXISQ-HNNXBMFYSA-N 425.514 4.016 5 20 IIBD O=C(NCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(Br)c1 500885337 HDPINKQDEOUMFN-UHFFFAOYSA-N 444.285 4.137 5 20 IIBD O=C(Nc1ccnn1CCc1ccccc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 503335275 SROHKZMCMCUMKM-UHFFFAOYSA-N 434.374 4.227 5 20 IIBD COCCSc1ccc([C@H](C)NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1 504693966 CSNIOQHDLJWJGY-HNNXBMFYSA-N 426.498 4.010 5 20 IIBD C[C@H](Oc1cccc(Br)c1)c1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C 507984237 VWJXLOJBEWEZGY-ZDUSSCGKSA-N 446.305 4.262 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 509086107 SJBHYJHOTCOOBA-UHFFFAOYSA-N 448.545 4.068 5 20 IIBD CC(C)n1c([C@H]2CCCN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)nc2ccccc21 510691147 OWFPRXMWMQXZRQ-IBGZPJMESA-N 447.539 4.294 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N[C@@H]2CCc3ccccc3OC2)cc1[N+](=O)[O-])c1ccccn1 511626610 OQWHVZYHFSTUIN-VQIMIIECSA-N 432.480 4.287 5 20 IIBD COc1ccc(CNC(=O)C2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)cc1 512676623 CJKXGUXBMFTQFL-UHFFFAOYSA-N 449.507 4.392 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 516786381 WESVKNJACOFNOE-KRWDZBQOSA-N 444.340 4.017 5 20 IIBD C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 518367914 VHNMKZIICYUJML-YCRPNKLZSA-N 429.904 4.451 5 20 IIBD CCN1CCN(Cc2ccc(CNCc3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)CC1 520950302 OHOLTFQHRSLQLD-UHFFFAOYSA-N 434.540 4.282 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cc(Cl)ccc1-n1cnnn1 522679706 DCVUFNJLAWJCDU-UHFFFAOYSA-N 436.815 4.269 5 20 IIBD COc1cccc(Oc2ncccc2CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c1 524964384 DXZUSBYOVGTRPA-UHFFFAOYSA-N 432.436 4.062 5 20 IIBD CC[C@@H]1c2ccsc2CCN1C(=O)COc1c(Br)cccc1[N+](=O)[O-] 533201910 DTOIRLJORKWPKU-CYBMUJFWSA-N 425.304 4.334 5 20 IIBD Cc1c(Br)cc(C(=O)NC[C@H](C)c2nc(-c3ccccc3)no2)cc1[N+](=O)[O-] 536354985 TWLIFFXKCKZCRM-NSHDSACASA-N 445.273 4.249 5 20 IIBD COc1c(Cl)cccc1NC(=O)c1cc(I)cc([N+](=O)[O-])c1 536552022 GRRWGSHRBGYCNF-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD C[C@H](NC(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1)c1ccccc1[N+](=O)[O-] 539298511 CMQRGWZMMFSHDI-ZDUSSCGKSA-N 444.538 4.100 5 20 IIBD O=C(NCCNc1ncc(Cl)cc1Cl)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 539415967 TWRCWZYFNAOSNC-UHFFFAOYSA-N 432.267 4.201 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 539766231 LXZVVYDSBJFGKS-HNNXBMFYSA-N 428.493 4.181 5 20 IIBD O=C(N[C@H](C(=O)O)c1ccc(Cl)c(F)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 540665040 FSPYOUXHNUPQSZ-HNNXBMFYSA-N 435.820 4.067 5 20 IIBD C[C@H](C(=O)N[C@H](C)[C@@H](OC1CCOCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1F 541599401 LBBYGUZJAREKCI-WJONJSRFSA-N 430.476 4.279 5 20 IIBD COc1c(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)cccc1C(N)=O 541599898 PIRCMUUNBDQROE-UHFFFAOYSA-N 429.498 4.237 5 20 IIBD O=C(CCCc1c[nH]c2ccccc12)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 541842243 LDPYGKAGWQIXFU-UHFFFAOYSA-N 446.511 4.014 5 20 IIBD COc1ccc(NC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)cc1[N+](=O)[O-] 542029332 JIEDAHHXPUGWPG-ZDUSSCGKSA-N 449.305 4.014 5 20 IIBD C[C@H](C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1F 542552324 SREFQRRRDRWYNH-AWEZNQCLSA-N 441.425 4.447 5 20 IIBD CSc1ccc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)nc1 543330171 URUKNIZGVIIJJM-UHFFFAOYSA-N 441.435 4.085 5 20 IIBD Cn1cnnc1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 543539612 FLFSBLKZHPALKU-INIZCTEOSA-N 429.546 4.025 5 20 IIBD COC(=O)[C@H](C)Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 544732741 AJWZCPHQNCOIQH-QGZVFWFLSA-N 428.488 4.145 5 20 IIBD CC(C)c1[nH]nc(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)c1Br 546562500 YGHJZTPQFZVOIL-UHFFFAOYSA-N 431.250 4.326 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(c2nc([C@@H]3CCCC[C@H]3C)no2)CC1 547102419 MTZXWAGFFOMXTD-RDTXWAMCSA-N 448.545 4.148 5 20 IIBD Cc1csc(Sc2ccc(NC(=O)C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)cc2)n1 549335702 VBKIYUZGZGNGBC-CYBMUJFWSA-N 442.522 4.327 5 20 IIBD Cc1ccc(CNC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c(OCC2CC2)c1 551728663 BLZIWFCVBUNEHD-UHFFFAOYSA-N 439.512 4.244 5 20 IIBD Cn1cc2c(n1)CCC[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 554839094 FFTDAZMOOFVJNW-FQEVSTJZSA-N 439.903 4.401 5 20 IIBD CC(C)c1nc(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])nn1-c1ccccc1Cl 557076934 CDNBHIBCMCDKNF-UHFFFAOYSA-N 427.892 4.267 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCc2noc3c2CCCC3)c([N+](=O)[O-])c1 558028514 LDWOBUIIUMVNIU-UHFFFAOYSA-N 435.436 4.091 5 20 IIBD O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1CCOC[C@H]1[C@@H]1CCCO1 561165285 KOMYSWUNUHCHKU-ROUUACIJSA-N 448.928 4.419 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 576301517 ZGKBWDRWWDPLQI-INIZCTEOSA-N 436.434 4.076 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCCc1cc2c(OC)cc(OC)cc2[nH]1 576317828 QNCXEUFMEFLOFW-UHFFFAOYSA-N 426.473 4.410 5 20 IIBD C[C@H](NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccc(OCC2CC2)c(F)c1 577153945 RNMBPTNOMORLCH-AWEZNQCLSA-N 429.448 4.188 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C 581876797 VPGVAGIFSMZQBQ-FQEVSTJZSA-N 442.541 4.341 5 20 IIBD O=C(CCc1ccccc1)N1CCCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 582499881 JZEBRZHHBDIFKX-UHFFFAOYSA-N 435.446 4.281 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc(Oc2cccnc2)cc1 588934886 XJFJODVOSSAKMI-UHFFFAOYSA-N 434.408 4.109 5 20 IIBD CN(C(=O)c1ccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1)C1CCCCC1 604470134 UMMGTGDLKCGFHJ-UHFFFAOYSA-N 447.495 4.438 5 20 IIBD O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609546652 IFLTYGBPDNDYCR-HXUWFJFHSA-N 440.887 4.069 5 20 IIBD CCN(CC)C(=O)c1ccc(NC(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])cc1 610092237 LOZZNRRUCZQBSI-UHFFFAOYSA-N 427.505 4.009 5 20 IIBD COc1cc(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc([N+](=O)[O-])c1OC 610196047 HXEYTTYMTSYZMG-UHFFFAOYSA-N 432.860 4.001 5 20 IIBD CN(c1ccc(Oc2ncnc3ccc([N+](=O)[O-])cc23)cc1)S(=O)(=O)c1cccs1 611700073 MGZGHIRYMRTTRA-UHFFFAOYSA-N 442.478 4.217 5 20 IIBD O=C(CCn1cc(Br)cn1)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] 615040808 QYLWRFCGDBNWKO-UHFFFAOYSA-N 445.273 4.162 5 20 IIBD COc1ccccc1CN(Cc1cccs1)S(=O)(=O)c1cccc([N+](=O)[O-])c1OC 619473379 KQTGGBGNLSPRMJ-UHFFFAOYSA-N 448.522 4.065 5 20 IIBD O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CC[C@@]2(C1)C(=O)Nc1ccccc12 619658168 BHUJRRORAPLEJL-DEOSSOPVSA-N 445.500 4.482 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 652582752 KHSAXQMGOXRLBS-OAQYLSRUSA-N 440.499 4.290 5 20 IIBD O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@H](c2ccccc2Br)C1 725729612 XFDVWBBETBBIQR-INIZCTEOSA-N 425.666 4.224 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C 725799105 RFOVMSXNYFATSU-VQTJNVASSA-N 446.548 4.096 5 20 IIBD CS(=O)(=O)c1cc(C(=O)O[C@@H](c2ccccc2)c2cccc(F)c2)cc([N+](=O)[O-])c1 726345535 XACCCISCVNHSAP-FQEVSTJZSA-N 429.425 4.084 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCCC[C@H]3C3OCCO3)cc2[N+](=O)[O-])cc1 726919534 OZWDGJOXWYBTBA-SFHVURJKSA-N 428.510 4.422 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(CC[C@@H](O)c3ccccc3)cc2)cc1[N+](=O)[O-] 727361222 SXLJPYGICKFTNC-JOCHJYFZSA-N 426.494 4.370 5 20 IIBD C[C@@H](Nc1ccc(C(=O)OCc2nccn2CC(F)(F)F)cc1[N+](=O)[O-])c1ccccn1 727775913 UKVHZNZMHNSBBG-CYBMUJFWSA-N 449.389 4.279 5 20 IIBD Cc1cccc(CCCOC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)n1 729801846 DIDQREHJXVJTCG-UHFFFAOYSA-N 447.491 4.385 5 20 IIBD COc1cc(C(=O)OCc2ccc(N(C)C)cc2)c([N+](=O)[O-])cc1OCc1cscn1 729809405 KVIMVERNHFWCAR-UHFFFAOYSA-N 443.481 4.062 5 20 IIBD O=C(OCc1cnc2ccccc2c1)c1ccc([N+](=O)[O-])cc1I 730699260 POKNLYDNYDYCBG-UHFFFAOYSA-N 434.189 4.105 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)ccc1Cl 731147053 FXCKHKXXPBNOOF-UHFFFAOYSA-N 432.889 4.249 5 20 IIBD CCN1C(=S)N[C@@H](c2csc(C3CC3)n2)C(C(=O)Nc2cccc([N+](=O)[O-])c2)=C1C 731421667 RCXSZKIPNFBASR-KRWDZBQOSA-N 443.554 4.093 5 20 IIBD COc1ccc([C@H]2[C@@H](COC(=O)c3ccc(SC)c([N+](=O)[O-])c3)CCC(=O)N2C)cc1 735776806 MIQUHTNOTVEQRQ-IERDGZPVSA-N 444.509 4.092 5 20 IIBD C[C@@H](OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(=O)Nc1ccc(Br)cc1 736867067 RTXMYSONJHXQBM-SECBINFHSA-N 427.638 4.195 5 20 IIBD Cc1cc([C@](C)(O)CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c(C)o1 743508292 NMVSVYWVPAAWOP-IQMFZBJNSA-N 438.484 4.010 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@H](OCC)c3ccccc3)CC2)ccc1[N+](=O)[O-] 744201568 OSCVSOYOXKHSOY-JOCHJYFZSA-N 428.485 4.283 5 20 IIBD C[C@H]1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CCN1Cc1ccccc1 744427278 PPKBKYOIUGZAAM-IRXDYDNUSA-N 430.936 4.172 5 20 IIBD Cc1cc(F)cc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 745567376 ZSRGEFAMUCGGQG-LBPRGKRZSA-N 429.429 4.350 5 20 IIBD Cc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 746409573 XDMSTTBMIPJCKE-LLVKDONJSA-N 425.338 4.053 5 20 IIBD Cc1cccc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)c1C(=O)NCCc1ccccc1 747827657 JWECVSLMXZELGW-UHFFFAOYSA-N 431.492 4.365 5 20 IIBD CC1=C(C(=O)N(C)C)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=S)N1c1cccc(F)c1 747961180 ULBPLPLHHSBOIP-GOSISDBHSA-N 448.907 4.185 5 20 IIBD O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cccc(Cl)c1[N+](=O)[O-] 749995023 FTQAPXJVTUYRLD-AWEZNQCLSA-N 427.810 4.271 5 20 IIBD Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc(Br)cc1[N+](=O)[O-] 750818755 GQQAIAOGPMEKEW-WMZOPIPTSA-N 430.302 4.114 5 20 IIBD C[C@H](C(=O)Nc1cccc(OCCNC(=O)OC(C)(C)C)c1)c1ccc([N+](=O)[O-])cc1F 754234137 DAKSBSYPKRWDIL-AWEZNQCLSA-N 447.463 4.380 5 20 IIBD C[C@H](C(=O)Oc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1)c1ccc([N+](=O)[O-])cc1F 754239752 ZZDGGIUTFLIMEA-SGTLLEGYSA-N 427.388 4.345 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC(COc2ccccc2)CC1 754636416 POXHFABCQWJEMV-UHFFFAOYSA-N 437.265 4.428 5 20 IIBD Cc1csc(C2(NC(=O)c3cc(F)cc([N+](=O)[O-])c3Br)CCCC2)n1 754969887 ZWXAHGYXZODVIO-UHFFFAOYSA-N 428.283 4.461 5 20 IIBD O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1CN(Cc1ccccc1C(F)(F)F)C1CC1 755267457 AGIHGFVCSWXIOI-UHFFFAOYSA-N 434.374 4.052 5 20 IIBD COCCN(Cc1cc(Br)cs1)C(=O)c1cc([N+](=O)[O-])ccc1Cl 756773037 STSQZLSIEXGOCX-UHFFFAOYSA-N 433.711 4.361 5 20 IIBD Cc1cc(C[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2Br)n(-c2ccccc2)n1 758829984 PSFRNDYTXQSZJW-CYBMUJFWSA-N 443.301 4.212 5 20 IIBD C[C@@H](C[C@H](O)c1ccccc1)NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 759112130 XBPMNYZLTSFOJG-UGSOOPFHSA-N 425.407 4.044 5 20 IIBD O=C(O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1cnn(Cc2ccccc2Cl)c1 759944943 SSWBBXRKWUZLJX-MSOLQXFVSA-N 429.864 4.030 5 20 IIBD COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C)n1 760091469 CQLFAVYSDCEBBW-UHFFFAOYSA-N 440.843 4.465 5 20 IIBD O=C(Nc1ccc(F)cc1)c1ccc(CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)cc1 760490535 CKVSAZNFTRGAEW-UHFFFAOYSA-N 448.454 4.491 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCC(=O)N(Cc1ccco1)c1ccccc1 761180987 MVFCVMQEWJRVMU-INIZCTEOSA-N 440.477 4.445 5 20 IIBD O=C(Cc1nc(COC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cs1)Nc1ccccc1 762901648 XVTLKGHXRSMDKO-UHFFFAOYSA-N 436.449 4.071 5 20 IIBD O=C(COC(=O)c1ccc(Sc2ccccc2Cl)nn1)c1ccc([N+](=O)[O-])cc1 764049508 IIHRZXAQRKJHGQ-UHFFFAOYSA-N 429.841 4.229 5 20 IIBD COC(=O)c1ccc([C@@H](OC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C(F)(F)F)cc1 764323999 QLJUIRQRMGDUMV-QGZVFWFLSA-N 449.341 4.028 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)c1ccc(Br)cc1 766228124 SWCLJEIMPRWVAF-NSHDSACASA-N 429.226 4.334 5 20 IIBD O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 767500186 MBISZOKEUHYANM-KRWDZBQOSA-N 444.413 4.284 5 20 IIBD Cc1nn(CN2CCSC[C@H]2c2cccc(C(F)(F)F)c2)c2ncc([N+](=O)[O-])cc12 769781309 NKXBDEHMSAFXOS-KRWDZBQOSA-N 437.447 4.414 5 20 IIBD CC[C@H]1CCCC[C@@H]1OCCOC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 770953633 YMDDLDHNKGLSQP-YOEHRIQHSA-N 434.518 4.017 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccc(NC=O)cc2)c2ccccc2)c([N+](=O)[O-])c1 771805852 GORDOTSBXCQEIE-NRFANRHFSA-N 433.420 4.008 5 20 IIBD COc1cccc(-c2nc(C)c(C(=O)O[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)[nH]2)c1 772094028 HATJJYIHTUOMTP-CYBMUJFWSA-N 449.423 4.270 5 20 IIBD Cc1cc(Cl)ccc1Oc1ccc(CS(=O)(=O)CCn2cc([N+](=O)[O-])cn2)cc1 772832243 ZOWMMDDRWCNTJB-UHFFFAOYSA-N 435.889 4.160 5 20 IIBD O=[N+]([O-])c1ccc(NC(=S)NCc2cnn(-c3ccc(Br)cc3)c2)cc1 773195821 XMAIRDUYABVQNH-UHFFFAOYSA-N 432.303 4.030 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 774990629 JQCBDDXVORIHHI-QMMMGPOBSA-N 431.754 4.033 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CC[C@H](OC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 779232430 XDOSLAOYMFMTJB-AULYBMBSSA-N 430.404 4.189 5 20 IIBD O=Cc1ccc(OCC(=O)N[C@@H](c2cccc3ccccc23)C(F)(F)F)c([N+](=O)[O-])c1 781390183 VCGORFBVNBMYFR-FQEVSTJZSA-N 432.354 4.359 5 20 IIBD COc1ccccc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccccn1 782173005 ANUZODZCCRAXIS-LJQANCHMSA-N 442.269 4.280 5 20 IIBD COc1ccc(NC(=O)NC[C@@H](O)c2cccc(OCc3ccccc3)c2)cc1[N+](=O)[O-] 782630136 SDRWMMSELJAGPM-OAQYLSRUSA-N 437.452 4.038 5 20 IIBD CC[C@H]1c2ccsc2CCN1C(=O)COc1cc([N+](=O)[O-])ccc1Br 786746545 IEESZIBAHNXWAE-AWEZNQCLSA-N 425.304 4.334 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N(Cc2c(F)cccc2F)C2CC2)cc1[N+](=O)[O-] 793056765 VLYGBOGSTRINTH-UHFFFAOYSA-N 431.439 4.300 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 799333803 HTJACAHRCMLDBJ-UHFFFAOYSA-N 439.449 4.463 5 20 IIBD CCOC(=O)Oc1ccc(C(=O)O[C@@H]2CCCN(c3ccc(F)cc3[N+](=O)[O-])C2)cc1 800408897 GROHXRRGGXYTCJ-QGZVFWFLSA-N 432.404 4.095 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 801032301 ZDHBSIGHPWJPAJ-OAQYLSRUSA-N 437.562 4.474 5 20 IIBD O=C(COC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)Nc1cc(Cl)ccc1[N+](=O)[O-] 801897721 JHLFTKUFSALLAJ-HNNXBMFYSA-N 434.729 4.460 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cncc(C(F)(F)F)c2)cc1)c1cccc([N+](=O)[O-])c1 807953215 RYZDBXXQQCUUGW-UHFFFAOYSA-N 431.326 4.480 5 20 IIBD O=C(OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1cc(N2CCOC2=O)ccc1F 811086516 WSJVZJARIIIYRY-UHFFFAOYSA-N 429.187 4.354 5 20 IIBD Cc1ccc(NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1N1CCCS1(=O)=O 811471128 DXSMQZUSTNDIJC-UHFFFAOYSA-N 430.313 4.362 5 20 IIBD CSc1ccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)cc1[N+](=O)[O-] 816853098 FJHBOYVIQSTGRG-OAHLLOKOSA-N 435.546 4.369 5 20 IIBD COc1cc(-c2nc(C(C)(C)NC(=O)c3cccc(Cl)c3)no2)c([N+](=O)[O-])cc1F 904598150 MZTXUVVCAPBRGK-UHFFFAOYSA-N 434.811 4.111 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)CCc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 912870082 WNPNOKYTPPTEDG-NSHDSACASA-N 441.267 4.413 5 20 IIBD Cc1ccccc1-n1ncc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1C 914944504 IXJBMOJRDKDHGG-AWEZNQCLSA-N 442.859 4.235 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NCc2cccc(COCc3ccco3)c2)c1[N+](=O)[O-] 915212565 IBVYQZZRZXTZPV-UHFFFAOYSA-N 427.413 4.226 5 20 IIBD Cc1ccc(-c2nc(C(=O)O[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cs2)o1 915467666 PROYDBNIWHHCOG-JTQLQIEISA-N 435.845 4.457 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(-c2nnc3n2CCCCCC3)cc1 917734012 ZSMUWEFSRQGOIQ-UHFFFAOYSA-N 441.513 4.079 5 20 IIBD Cc1cc(C(=O)OCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] 918859686 IWIUIYWTYUMKKB-QFIPXVFZSA-N 436.489 4.296 5 20 IIBD CCc1ccc(-c2noc(COC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 920777282 JGDSFFRBWPOWGH-LBPRGKRZSA-N 431.832 4.371 5 20 IIBD COc1cc(OCC(=O)OCc2csc(Nc3ccc(C)cc3)n2)ccc1[N+](=O)[O-] 921108656 LOXFOGRXRJKFOP-UHFFFAOYSA-N 429.454 4.234 5 20 IIBD COc1ccc(NC(=O)NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])c1 1123372254 KBDVFRWKHCXBOZ-YJYMSZOUSA-N 436.871 4.210 5 20 IIBD COc1cc(COC(=O)[C@H]2Cc3ccc(C)cc3S2)c([N+](=O)[O-])cc1OC(F)F 1317736202 VCBIDZDHHGDCQN-QGZVFWFLSA-N 425.409 4.273 5 20 IIBD Cc1cc([C@H](C)NC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c(C)o1 1318122938 LZERXWULAAUFQH-ZDUSSCGKSA-N 440.422 4.416 5 20 IIBD Cn1c2ccccc2c2cc(C(=O)N3CCN(Cc4cccc([N+](=O)[O-])c4)CC3)sc21 1318130063 LNMUQCXXRJBXNL-UHFFFAOYSA-N 434.521 4.259 5 20 IIBD Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 1319226961 NIEYBKAPCMRDSZ-UHFFFAOYSA-N 439.815 4.056 5 20 IIBD O=C(CCOc1ccccc1)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1 1785747745 IOUDMFTXRMHVFL-UHFFFAOYSA-N 449.463 4.405 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)[C@H]3C[C@H]3C3CC3)CCC2)cc1 1785792018 PNHYVGCFIYHRAU-VXKWHMMOSA-N 433.508 4.318 5 20 IIBD CC/C=C(\C)C(=O)NC1(c2ccc(NC(=O)c3nc(OC)ccc3[N+](=O)[O-])cc2)CCC1 1788854112 BPNLIPLHCISZPF-GIDUJCDVSA-N 438.484 4.102 5 20 IIBD Cc1nc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])[nH]4)CCC3)cc2)sc1C 1789984311 KYYUGTBBUFWHKO-UHFFFAOYSA-N 439.497 4.058 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cccc([N+](=O)[O-])c2)n[nH]1 1815536150 OMMNKCIWZOQOKJ-JXFKEZNVSA-N 441.532 4.379 5 20 IIBD CC(C)/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830623650 YPRROGAEUXJQPB-SQUSKLHYSA-N 431.508 4.179 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(F)CCC2)CC1 1832504306 NGTSVHMLQAYDED-IBGZPJMESA-N 449.498 4.168 5 20 IIBD CC(=O)CCc1ccc2oc(C(=O)OCC(=O)Nc3c(C)cccc3[N+](=O)[O-])c(C)c2c1 8807220 LUUKMAWYOYXJCA-UHFFFAOYSA-N 438.436 4.275 5 20 IIBD O=C(COC(=O)CSCc1cccc(Cl)c1)Nc1ccc(Cl)cc1[N+](=O)[O-] 10147646 HMLTZIMLJJOZLE-UHFFFAOYSA-N 429.281 4.317 5 20 IIBD O=C(COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 10760437 VULLZMUNQQXCNP-FPYGCLRLSA-N 428.750 4.462 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 11308087 ATGUFPQUDRFNQJ-UHFFFAOYSA-N 436.449 4.270 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)NC(c1ccccc1)c1ccccc1 19284866 HKLARRABJNIPLI-MRXNPFEDSA-N 434.448 4.055 5 20 IIBD COc1cc(/C=C(\Cl)c2nnc(C(=O)Nc3ccccc3)s2)cc([N+](=O)[O-])c1O 22608415 VOXJLHFQJAVPQA-GHXNOFRVSA-N 432.845 4.150 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 30338864 IKTSIWMPONUVJO-NXEZZACHSA-N 434.358 4.091 5 20 IIBD O=C(Nc1ccccc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccccc1 32243699 XXEQJPLOLBBDIG-UHFFFAOYSA-N 427.420 4.285 5 20 IIBD COc1cc(CSc2nnc(NCC(F)(F)F)s2)c([N+](=O)[O-])cc1OC(F)F 60797957 DDAJJNGQADBXOJ-UHFFFAOYSA-N 446.379 4.323 5 20 IIBD O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 61550019 JMIYPCCSQJNVDN-UHFFFAOYSA-N 437.431 4.275 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccnn2Cc2cccc3ccccc23)cc([N+](=O)[O-])c1 71924721 ZMTOVYRDLJCTFH-UHFFFAOYSA-N 444.447 4.422 5 20 IIBD COc1ccc(Br)c(C(=O)Nc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)c1 105528945 RGZQJQHMSUVIEE-UHFFFAOYSA-N 431.246 4.112 5 20 IIBD COc1ccc(-c2nc(CC(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)cs2)cc1OC 108287196 QWMSZQGTBPDCDH-CYBMUJFWSA-N 427.482 4.155 5 20 IIBD Cc1cccc(Cc2cnc(NC(=O)CCn3nc(C)c([N+](=O)[O-])c3C)s2)c1Cl 116652211 HKWSYNWJVJZWOP-UHFFFAOYSA-N 433.921 4.446 5 20 IIBD COc1cc(C(=O)NCC(C)(C)CN(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 255944735 SDXWGTIKCASNOU-UHFFFAOYSA-N 435.908 4.367 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c([N+](=O)[O-])c1 301346637 JZCNYGONGBSJHG-DUXKGJEZSA-N 445.541 4.035 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c(Br)c1 324536000 IOWCRVDTGDOOJV-UHFFFAOYSA-N 428.289 4.076 5 20 IIBD Cc1ccccc1[C@@]1(F)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 409888382 ASSSLCCUQVPSHW-QGZVFWFLSA-N 432.395 4.181 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1(c2cncc(Br)c2)CC1 409989978 BDWBSUSCNLKKIC-UHFFFAOYSA-N 444.207 4.119 5 20 IIBD C[C@@H](c1cccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1)N1CCOCC1 431464865 MAJZWTRBCNAOOC-ZDUSSCGKSA-N 434.290 4.003 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1(OCc2ccccc2)CCOCC1 435169856 ZRABXWSZVHEICD-UHFFFAOYSA-N 439.493 4.423 5 20 IIBD Cc1csc([C@@H]2COCCN2C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)n1 435330412 SMRXOCLCCVEMFK-AWEZNQCLSA-N 441.307 4.036 5 20 IIBD COc1cc(C(=O)NCCc2cc(Cl)ccc2Br)cc([N+](=O)[O-])c1OC 435381072 VATIOWRERXCTFX-UHFFFAOYSA-N 443.681 4.000 5 20 IIBD C[C@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 436157988 XXIDJIGJWFSHFV-QLFBSQMISA-N 427.495 4.056 5 20 IIBD O=C(N[C@H]1C[C@H](c2ccccc2F)C1)c1ccc([N+](=O)[O-])cc1I 437402431 BKYJVLLPFGQQGC-XYPYZODXSA-N 440.212 4.015 5 20 IIBD O=C(N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)c1ccc([N+](=O)[O-])c(O)c1 440310248 DAOUVVXTAGXNSA-NRFANRHFSA-N 440.839 4.244 5 20 IIBD CN(C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)c1ccc(OCc2ccccc2)cc1 440556952 FZQVWHIJDVWQEQ-UHFFFAOYSA-N 447.491 4.287 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccc(N2CCc3ccccc3C2)nc1 443948637 QSHDIXPULTWQBW-UHFFFAOYSA-N 431.496 4.491 5 20 IIBD O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCC2(CC1)OCCc1ccsc12 445153616 VMHZCPQKJUAKMN-UHFFFAOYSA-N 430.529 4.447 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 446489424 YPCOEVDEENSSDV-AWEZNQCLSA-N 433.306 4.314 5 20 IIBD CC1(C)CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCS1(=O)=O 447095591 DHGSHZZBTLQALM-UHFFFAOYSA-N 438.933 4.440 5 20 IIBD COc1ccccc1[C@@H](NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 460283925 VXDIGVNGKUMDLY-QHCPKHFHSA-N 433.464 4.297 5 20 IIBD Cc1ccccc1-c1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1C[C@H]1CCOC1 461519286 FGBCORINQMNZLY-LJQANCHMSA-N 433.512 4.367 5 20 IIBD CCCn1ccc2ccc(NC(=O)c3nn(-c4ccccc4[N+](=O)[O-])c(C)cc3=O)cc21 465157652 UBYIXKNWGINSKY-UHFFFAOYSA-N 431.452 4.066 5 20 IIBD O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCC(OCCN2CCCC2)CC1 465366858 TWWWVUUUYCKWJK-UHFFFAOYSA-N 438.528 4.055 5 20 IIBD Cc1c(NC(=O)N[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cccc1[N+](=O)[O-] 466288940 OMIUUGOEUOJMKV-NRFANRHFSA-N 439.493 4.218 5 20 IIBD COc1cc(CCNC(=O)c2cncc(-c3ccc(Cl)cc3)c2)c([N+](=O)[O-])cc1OC 467292833 WTFOSZLFMWXJMD-UHFFFAOYSA-N 441.871 4.300 5 20 IIBD COc1ccc([C@@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)c2cccc(S(C)(=O)=O)c2)cc1 467854113 UWABUIAFWNEBRY-QMHKHESXSA-N 440.521 4.447 5 20 IIBD CN(Cc1cccc(Br)c1OC[C@@H]1CCCO1)C(=O)c1cccc([N+](=O)[O-])c1 468098137 VMISVAHHAGBVMK-KRWDZBQOSA-N 449.301 4.187 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c1 470699765 RMELTLOXPQJGAP-UHFFFAOYSA-N 443.456 4.201 5 20 IIBD CC(C)(c1ccccc1)c1nnc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 471520068 BHYWUNCCEJWWPM-UHFFFAOYSA-N 438.918 4.226 5 20 IIBD CC(C)(C)c1cnc(CNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)o1 472395887 JTEZWIMGMJFAKH-UHFFFAOYSA-N 438.271 4.303 5 20 IIBD O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCSC2(CCOCC2)C1 474651802 XKXSSTPCHQHYGQ-UHFFFAOYSA-N 430.551 4.484 5 20 IIBD C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 474877539 KEOCFWGPRQZZFS-OLZOCXBDSA-N 438.311 4.282 5 20 IIBD Cc1ccc(CN2C(=O)CC[C@H]2C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 476831604 QCNZYXHNRXCENH-IBGZPJMESA-N 436.493 4.156 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(N[C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)cc2N1 477016325 ACBJAWJHZPFQQV-AWEZNQCLSA-N 435.267 4.004 5 20 IIBD O=C(N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1cc2cccc([N+](=O)[O-])c2[nH]1 478479121 IIAZJBDULKGGOU-AWEZNQCLSA-N 427.766 4.212 5 20 IIBD CCc1c(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cnn1-c1ccccc1Cl 482684017 QEDOSBMFVUVYAI-UHFFFAOYSA-N 436.859 4.434 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1csc(Br)c1 484133779 QUBDZUZTZTZCFW-UHFFFAOYSA-N 445.360 4.430 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N(CC(F)(F)F)C1CCCC1 485238011 GLOPAWRXNUYPKJ-UHFFFAOYSA-N 442.175 4.147 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 485473059 HSRFRNBYCSBWBQ-INIZCTEOSA-N 444.337 4.011 5 20 IIBD COC(=O)c1cc(NC(=O)CSCc2coc(-c3ccccc3)n2)c(C)c([N+](=O)[O-])c1 485984302 WGAVBSWVOJXXQB-UHFFFAOYSA-N 441.465 4.217 5 20 IIBD C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 486007158 NJLCMOOQFKKKPQ-ZDUSSCGKSA-N 443.447 4.351 5 20 IIBD O=C(O)C[C@H]1CSCCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 486010017 YMTRMHFOZMTAAA-AWEZNQCLSA-N 436.873 4.073 5 20 IIBD O=C(Cc1ccc(OCc2ccccn2)cc1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 486739506 DRYRIHTXWLLDHR-UHFFFAOYSA-N 445.397 4.447 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCCCC[C@@H]2c2noc(C(C)C)n2)c(C)c([N+](=O)[O-])c1 486868069 LSNQQGHCJNVXEM-MRXNPFEDSA-N 445.476 4.345 5 20 IIBD COc1cccc(C[C@]2(C(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)C[C@H]3CC[C@H]2C3)c1 487104366 ZZBKXPPUOKFXHN-JXQFQVJHSA-N 438.528 4.013 5 20 IIBD O=C(c1cc(NCc2nccn2CCCc2ccccc2)ccc1[N+](=O)[O-])N1CCCC1 487208645 NMUGSUXXGIKPJD-UHFFFAOYSA-N 433.512 4.272 5 20 IIBD Cc1ccc(-n2cnc3c2CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C3)cc1 489412804 XGYMGNOKPGPIIR-OAHLLOKOSA-N 440.887 4.095 5 20 IIBD CCOC(=O)[C@@H]1CCCc2sc(NC(=O)[C@@H](CC)Cc3ccc([N+](=O)[O-])cc3)nc21 493859851 DEVLYMKBGZOWGL-GOEBONIOSA-N 431.514 4.242 5 20 IIBD O=C(Cc1ccccc1[N+](=O)[O-])Nc1c(Br)cc(F)cc1Br 497836887 IBXCGMVEVUBQDZ-UHFFFAOYSA-N 432.043 4.440 5 20 IIBD COC(=O)[C@@H](C)CN(C)C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 498433961 GLYZAMKGYGCKRW-LBPRGKRZSA-N 445.522 4.237 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCC[C@H]3C(=O)NCc3ccco3)c([N+](=O)[O-])c2)cc1 498818518 FADMARPVGDDWTB-NRFANRHFSA-N 448.479 4.034 5 20 IIBD CO[C@H]1Cc2ccccc2N(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 500269827 PXIRHJGXONPXGG-LPHOPBHVSA-N 432.480 4.381 5 20 IIBD Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCCN1Cc1ccc([N+](=O)[O-])cc1F 501772558 SFQSQNQGEXIAKD-OAQYLSRUSA-N 428.439 4.249 5 20 IIBD CCCOCc1ccccc1CNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 502153151 FSINOOQAYBSGJJ-UHFFFAOYSA-N 436.512 4.313 5 20 IIBD C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(-n2cccn2)c(F)c1 505354057 UCEBQCNJSLDZLT-MRXNPFEDSA-N 437.475 4.013 5 20 IIBD O=C(NCC1(C2CC2)CCC1)c1ccc(C(=O)NCC2(C3CC3)CCC2)c([N+](=O)[O-])c1 505883167 PBJNUQXOARGULB-UHFFFAOYSA-N 425.529 4.215 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCCCSc2ccccn2)cc1[N+](=O)[O-])c1ccccn1 511251247 LXJDPUFJZHTLRG-MRXNPFEDSA-N 437.525 4.470 5 20 IIBD COc1cc(C(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])cc1OC(F)F 512286609 VVPSLHRRLAXGCV-CZUORRHYSA-N 436.411 4.103 5 20 IIBD Cc1nnnn1-c1cccc(NC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)c1 512544228 KYQJDZVLQDAFOD-UHFFFAOYSA-N 426.502 4.269 5 20 IIBD COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)n1 515202874 FXNKPCWCYBYYKZ-CQSZACIVSA-N 439.493 4.452 5 20 IIBD O=C(Nc1cc(F)ccc1F)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 515225162 KQJBAPMWQMJOBE-UHFFFAOYSA-N 430.333 4.246 5 20 IIBD O=C(Nc1ccc2nc(C3CC3)sc2c1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 518377552 KLMAAXUCMPSLIE-CQSZACIVSA-N 442.522 4.387 5 20 IIBD O=C(N1CCCc2c1cccc2[N+](=O)[O-])C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1 518382851 DDYRMMXPSFRJPN-UHFFFAOYSA-N 446.500 4.190 5 20 IIBD Cc1cccc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)cc2)c1 518617007 OCOPMMQMJCLDNF-UHFFFAOYSA-N 426.450 4.351 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC1(c2ccc(F)cc2)CCCC1 518850060 OBOKKCZDSMEMSH-UHFFFAOYSA-N 427.432 4.008 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cc(Br)ccc1-n1cccn1 519508540 BZZBCBVPPDNYGO-UHFFFAOYSA-N 433.287 4.274 5 20 IIBD Cc1ccc(NCCCNC(=O)Nc2cccc(C(=O)N3CCCC3)c2C)c([N+](=O)[O-])c1 524830187 JJMSYBOUMKGEMT-UHFFFAOYSA-N 439.516 4.071 5 20 IIBD CC1CCN(c2ccc(C(=O)N3C[C@@H](C)C(=O)N(C)c4ccccc43)cc2[N+](=O)[O-])CC1 525018936 JSEZKWBDYPKKLD-QGZVFWFLSA-N 436.512 4.090 5 20 IIBD C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)c1ccc(OCC(=O)NC2CC2)cc1 534144837 LEBRRXJLGIMYCL-MRXNPFEDSA-N 432.480 4.487 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cccc(CCN2CCCC2)c1 535815590 VDLRBYVCVFZLDE-UHFFFAOYSA-N 425.532 4.432 5 20 IIBD CCc1ccc(NC(=O)c2nnc(CN[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)s2)cc1 537173657 CKSBXEFKQCGYOJ-AWEZNQCLSA-N 425.514 4.420 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccs1)N1CCOCC1 537389804 SYGFZAIBFVSAOV-SFHVURJKSA-N 449.598 4.352 5 20 IIBD CCCS(=O)(=O)Nc1ccc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])cc1 540548573 GRCRRHBPJOBTMA-UHFFFAOYSA-N 440.481 4.061 5 20 IIBD CCc1cc(N2CCC(CCC(=O)N(CC)CC)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 541107809 AXJIIOILPYEGFI-UHFFFAOYSA-N 439.560 4.479 5 20 IIBD O=C(NCCCc1nc(-c2ccc(F)cc2)no1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 541519140 IEMJDPGUPSOJAH-UHFFFAOYSA-N 439.447 4.091 5 20 IIBD O=C(CCc1cc(F)ccc1Br)NCCc1ccc(Cl)cc1[N+](=O)[O-] 543130582 RJNYXNKCDLPXCI-UHFFFAOYSA-N 429.673 4.441 5 20 IIBD C[C@H]1CSc2ccc(Cl)cc2N(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C1 543263356 UZSRTDKLMVVHCI-LLVKDONJSA-N 440.930 4.040 5 20 IIBD COc1ccc(I)c(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c1 543553693 TXFNVZXUJQXJHF-VIFPVBQESA-N 444.200 4.089 5 20 IIBD CCc1ccc([C@H](NCCS(=O)(=O)c2ccc(F)cc2)c2ccc([N+](=O)[O-])cc2)o1 544381535 BGYNRYXSTKLEAN-OAQYLSRUSA-N 432.473 4.042 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1noc(-c2cnc(-c3ccc4c(c3)OCO4)s2)n1 544563817 JLLHKZWXAHSPDS-UHFFFAOYSA-N 437.437 4.152 5 20 IIBD Cc1noc(C)c1CO[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)C1 545124686 ZXZKXWFHKKDLBN-KRWDZBQOSA-N 433.530 4.379 5 20 IIBD CCN(CC)CCOc1ccc(-c2noc(-c3cccc([N+](=O)[O-])c3C)n2)cc1OC 545576765 PCPOKECUQHPXHG-UHFFFAOYSA-N 426.473 4.349 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc(C(=O)NC3CC3)cc2)no1 545625566 VBBYRRLNXJHKKX-LLVKDONJSA-N 428.832 4.330 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(-c3ccccc3CN3CCOCC3)no2)cc(C(F)(F)F)c1 547005815 JWEMZMFVRRVOCE-UHFFFAOYSA-N 434.374 4.163 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCOC4(CCCC4)C3)n2Cc2cccs2)c1 549961147 BYZOCEGHJNGUDL-UHFFFAOYSA-N 425.514 4.113 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 550676910 NGEQVLWRXSLPLA-PBHICJAKSA-N 446.345 4.449 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H]2C[C@@H]2c2ccccc2OC(F)F)cc1[N+](=O)[O-] 551760299 UQXGZSVFBFOUOV-ZBFHGGJFSA-N 447.438 4.105 5 20 IIBD COc1cc(OC)c2cc(CCCN[C@H](c3ccc([N+](=O)[O-])cc3)c3nccn3C)[nH]c2c1 552044277 XYVOKNCNEKQHEE-HSZRJFAPSA-N 449.511 4.139 5 20 IIBD CC(C)Oc1ccccc1[C@@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br 553220921 CBCKDCJJAFGHRG-CYBMUJFWSA-N 436.306 4.434 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NCc1cc(F)c(F)cc1Br 557970486 RYKZWBDKEWEPDP-UHFFFAOYSA-N 434.624 4.288 5 20 IIBD COc1ccc(Cl)cc1CNCc1cc(I)cc([N+](=O)[O-])c1 562069160 SLYAQAJGMWCCMW-UHFFFAOYSA-N 432.645 4.151 5 20 IIBD C[C@@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)[C@H]1OCCc2sccc21 581088775 FFDLGCUGKXKYII-RKFFSXRUSA-N 440.471 4.453 5 20 IIBD CN(CCc1cccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCO1 583276113 MYIRGBLIZFEUIR-SFHVURJKSA-N 427.530 4.163 5 20 IIBD COc1cc(CCNC(=O)N2CCC[C@@H]2c2ccccc2Cl)c([N+](=O)[O-])cc1OC 604125503 WTSXNFKVDMFUOB-QGZVFWFLSA-N 433.892 4.355 5 20 IIBD O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccc(C(F)F)cc1 608802034 YNYGSBVKKBESHV-UHFFFAOYSA-N 439.421 4.074 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N(CCc2ccccc2)CC(C)C)ccc1[N+](=O)[O-] 608803918 DZZRQOPXANQGHD-HSZRJFAPSA-N 437.540 4.235 5 20 IIBD Cc1cccc(-c2nnc(-c3ccc(C(=O)NCCOc4ccc([N+](=O)[O-])cc4)cc3)o2)c1 609454806 UIBZEGNMFATHSH-UHFFFAOYSA-N 444.447 4.429 5 20 IIBD CC(C)(C)CN(CC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])cc1I 609504852 NJRCFLICZSRKAT-UHFFFAOYSA-N 444.191 4.250 5 20 IIBD Cc1noc(C)c1[C@@H](C)NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 609605996 IBCRELMPPIUSND-LLVKDONJSA-N 440.422 4.312 5 20 IIBD O=C(NCc1cccc(-n2ccnc2)c1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 609669263 PWMICNZZFWTQCK-UHFFFAOYSA-N 427.464 4.323 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(-c2cn3cccnc3n2)cc1 609723610 LXRLWMLFINEDKK-UHFFFAOYSA-N 437.843 4.366 5 20 IIBD O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 609841579 VHNSCSVFZBGQGM-AWEZNQCLSA-N 429.889 4.093 5 20 IIBD O=C(N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C1(c2ccccc2F)CC1 609853299 LACXAVRHNQNZER-UHFFFAOYSA-N 437.393 4.133 5 20 IIBD O=C(CCOc1ccccc1-c1ccccc1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 609883585 OVHMBDOEOPJLPO-IBGZPJMESA-N 432.480 4.139 5 20 IIBD Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])o1 609978517 OAOQVEHOJSELCB-XIKOKIGWSA-N 442.859 4.033 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(Nc3cnn(CC4CC4)c3)c([N+](=O)[O-])c2)c(C)c1 610285073 PWRRYTHYVTUQHQ-UHFFFAOYSA-N 441.513 4.363 5 20 IIBD O=C(Nc1cc(Br)cc(C(F)(F)F)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 610295292 TUKJKBWTYDIOTA-UHFFFAOYSA-N 433.136 4.357 5 20 IIBD COc1cc(C(F)(F)F)ncc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 616252796 NLZGVONAKLNEEH-UHFFFAOYSA-N 446.190 4.125 5 20 IIBD C[C@@H](Sc1ncccc1C(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1 726325385 DJHDGMZWVIJMSA-HUUCEWRRSA-N 429.498 4.011 5 20 IIBD O=C(/C=C/c1cccc(OC2CCCC2)c1)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 727887743 SOQGKWGCAFUJLG-DHZHZOJOSA-N 436.464 4.062 5 20 IIBD COc1ccc(NC(=O)COC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 727928770 KOJRWUFVALLVHQ-CHWSQXEVSA-N 439.251 4.196 5 20 IIBD O=C(OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 727933091 ZSHUUTIEMNLFHE-GJZGRUSLSA-N 435.263 4.138 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)cc1SC 728650014 BDGPRQXSDBLPIT-UHFFFAOYSA-N 445.280 4.428 5 20 IIBD COc1ccccc1Oc1ccc(CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1 732002950 FFFQFIDKUUBGNV-UHFFFAOYSA-N 432.436 4.062 5 20 IIBD CC[C@@H](C)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)C(=O)Nc1cccc(N2CCCC2)c1 732028074 MOPCLDJHLUCXFS-QVKFZJNVSA-N 442.491 4.117 5 20 IIBD Cc1c(C(=O)NCc2ccccc2CN2CCCCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 732939652 FSGWZDLJYBQOTM-UHFFFAOYSA-N 440.500 4.426 5 20 IIBD CC(C)OC(=O)NCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 739576693 OUFGUJOQGWQQJL-UHFFFAOYSA-N 436.262 4.244 5 20 IIBD CN(CC1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C(=O)OC(C)(C)C 742635466 PVQIXVIWBOQMDU-UHFFFAOYSA-N 445.438 4.333 5 20 IIBD Cc1ccc(CCN(CC(F)(F)F)C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1 744369335 FONIDHOZHCUJED-UHFFFAOYSA-N 425.363 4.367 5 20 IIBD C[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccc(OC(F)F)cc1 745564794 FYPPRHBBYSSQAE-SECBINFHSA-N 448.300 4.399 5 20 IIBD CC[C@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1nc(C(F)(F)F)cs1 745935049 HXYYOMAVRJBZBR-AWEZNQCLSA-N 443.451 4.053 5 20 IIBD COc1ccc(CSCC(=O)N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)cc1[N+](=O)[O-] 746249025 IYHSIRUYJRLIFE-QUCCMNQESA-N 448.516 4.090 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 747414391 FTBBXNYTIWZPJV-SFHVURJKSA-N 426.366 4.339 5 20 IIBD Cc1ccc([C@H](C)NC(=O)COC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1C 747961029 DFQIKWVSXUWMFU-HNNXBMFYSA-N 439.493 4.369 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1I)N(CC(F)(F)F)C1CCCC1 749137640 LMBQTMIUCQZTBV-UHFFFAOYSA-N 442.175 4.147 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC1CCCC1 752134425 GOQNSZWVDGRDJS-OAHLLOKOSA-N 441.484 4.049 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3ccc(N(C)C)cc3F)CC2)ccc1[N+](=O)[O-] 752504959 WJDPPJQOEVOVAZ-UHFFFAOYSA-N 431.464 4.024 5 20 IIBD Nc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)NCc3cccs3)c2)cc1[N+](=O)[O-] 752793300 WLCDFAPUWYHXLH-UHFFFAOYSA-N 430.873 4.074 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(N2CCc3c(ncn3-c3ccc(C)cc3)C2)cc1Cl 752930125 VTBOUSAUKBBGST-UHFFFAOYSA-N 426.860 4.092 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 753039122 QVEQNZKANSSMCZ-JQHSSLGASA-N 432.521 4.148 5 20 IIBD COc1c([N+](=O)[O-])cc(NCc2csc([C@@H](C)OC)n2)c([N+](=O)[O-])c1Br 753118707 LVQROOAOUGGIPG-SSDOTTSWSA-N 447.267 4.050 5 20 IIBD O=C(NCc1ccc(Br)c(F)c1)c1cccc([N+](=O)[O-])c1Br 753818473 CFXPIPCGIJUAAV-UHFFFAOYSA-N 432.043 4.189 5 20 IIBD Cc1ccn2cc(C(=O)O[C@H](c3ccc(Br)cc3)C(C)(C)[N+](=O)[O-])nc2c1 753946123 YPCDTAKIUXXVRW-QGZVFWFLSA-N 432.274 4.359 5 20 IIBD Cc1nc(Cl)sc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 754575902 HUPFBZWDUDCMTP-SSDOTTSWSA-N 437.783 4.216 5 20 IIBD COc1ccc(CC(=O)OCc2c(C)nn(Cc3ccc(Cl)cc3)c2C)cc1[N+](=O)[O-] 754904352 XOPHNTWWTYFJAM-UHFFFAOYSA-N 443.887 4.404 5 20 IIBD COC[C@H](C)n1c(C)cc(C(=O)COC(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c1C 754989010 ZANTUACLZZEURB-NSHDSACASA-N 426.828 4.053 5 20 IIBD Cc1cc(-c2noc([C@@H](C)N[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2)ccc1F 755165719 HMGBNBWMLJCYFV-VXGBXAGGSA-N 447.854 4.424 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br 755229774 GOXVVBFPFXCUQX-UHFFFAOYSA-N 436.262 4.245 5 20 IIBD O=C(COC(=O)CCC(=O)c1cc(Cl)sc1Cl)Nc1ccccc1[N+](=O)[O-] 756612579 UZVGTFOARRSGLF-UHFFFAOYSA-N 431.253 4.108 5 20 IIBD O=C(Nc1ccc2nc(-c3ccccc3)[nH]c2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 757642124 COXNJLNZOMRQOJ-UHFFFAOYSA-N 443.463 4.227 5 20 IIBD CC(C)[C@@H](CCN(C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC(=O)OC(C)(C)C 759278271 MYGJKHFCBVVSJJ-GOSISDBHSA-N 432.521 4.016 5 20 IIBD CCc1ccc(-c2noc([C@@H](C)NC(=O)NCc3cc([N+](=O)[O-])ccc3Cl)n2)cc1 760800814 MRWOZIODKYZKGT-GFCCVEGCSA-N 429.864 4.421 5 20 IIBD COc1cc(Br)c(C=O)cc1Oc1ncc(Br)cc1[N+](=O)[O-] 761875023 RNQYYVLVDLFRTK-UHFFFAOYSA-N 432.024 4.128 5 20 IIBD O=C(NCC[S@](=O)Cc1ccccc1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 764200200 UWROMMOWFCAFCL-LJAQVGFWSA-N 432.567 4.308 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 765525418 DUVNMJJGUGFPAQ-OCCSQVGLSA-N 449.847 4.296 5 20 IIBD O=[N+]([O-])c1cc(CN2CCC[C@H](c3nnc4n3CCCCC4)C2)ccc1Br 768224811 AKVVXEACOQQPEF-HNNXBMFYSA-N 434.338 4.055 5 20 IIBD COc1ccccc1NC(=O)C1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 768842550 YZUFEZBGRYIQLK-UHFFFAOYSA-N 448.317 4.217 5 20 IIBD CC[C@@H](C)c1ccc(NC(=O)Cc2noc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1 771059335 MCQMEUXEYYSVFZ-GFCCVEGCSA-N 425.401 4.248 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)CCC1CCN(c2ccncc2)CC1 771460311 BITNKTFLDBGSCI-MRXNPFEDSA-N 445.951 4.209 5 20 IIBD CC(C)Oc1cccc([C@H](O)CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 771764727 IWJRAEONZXTQQQ-QGZVFWFLSA-N 427.379 4.256 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(NCCc3nc(-c4cccc(Cl)c4)no3)CC2)cc1 772987559 KLDYMRAHJKKBDU-UHFFFAOYSA-N 427.892 4.099 5 20 IIBD COC(=O)[C@H](Cc1ccc(Cl)cc1)OC(=O)c1sc(Br)cc1[N+](=O)[O-] 773600452 UCZXVCKHGFUGIT-NSHDSACASA-N 448.678 4.013 5 20 IIBD Cc1ccc(Sc2ccc(CNC[C@@H]3COC4(CCOCC4)O3)cc2[N+](=O)[O-])cc1 776952805 BICGVGYQIFIYKX-GOSISDBHSA-N 430.526 4.066 5 20 IIBD CC[C@@H]1C[C@H](OC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCO1 779288768 KFKWJDDAMFIUHP-HZPDHXFCSA-N 430.423 4.331 5 20 IIBD COc1cc(COC(=O)c2cc(Cl)nc(Cl)c2)c([N+](=O)[O-])cc1OCC(F)F 780068278 PDZHXGOPBZWBJR-UHFFFAOYSA-N 437.182 4.306 5 20 IIBD COc1cc(NCc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)c([N+](=O)[O-])cc1OC 780628597 WXVQLUXJMUVVJX-UHFFFAOYSA-N 429.473 4.475 5 20 IIBD Cc1nn(-c2ccccc2)c(Cl)c1Cn1cc([N+](=O)[O-])c(C)c(Br)c1=O 783923850 FIWCYNDHRITWKS-UHFFFAOYSA-N 437.681 4.023 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC(c2ccccc2Br)CC1 784187369 PPQTWHQYTKNVGS-UHFFFAOYSA-N 437.265 4.281 5 20 IIBD COC(=O)[C@@H]1CCC[C@H](OC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 785947617 XYHYWFHJJSMXFH-UXLLHSPISA-N 427.457 4.052 5 20 IIBD Cc1c(C(=O)Nc2cc(F)cc(F)c2Br)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 786654818 FNQUOBDTKPQTNY-UHFFFAOYSA-N 430.161 4.413 5 20 IIBD O=C(COC(=O)Cc1nc(-c2ccc(F)cc2)cs1)Nc1cc(Cl)ccc1[N+](=O)[O-] 787004465 LPXJGXMBYSYFDK-UHFFFAOYSA-N 449.847 4.235 5 20 IIBD C[C@@H](OC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(=O)c1ccccc1C(F)(F)F 789029757 XVTBGRKAFHQBOG-GFCCVEGCSA-N 433.342 4.228 5 20 IIBD COc1ccc(Br)cc1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790544990 AQCCNCWOSYALMJ-UHFFFAOYSA-N 431.645 4.017 5 20 IIBD O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)Nc2ccc(Sc3nncs3)cc2)c1 795300092 QQANERWYWVWJKF-UHFFFAOYSA-N 446.894 4.191 5 20 IIBD C[C@H](OC(=O)[C@@H](C)[C@@H]1OCCc2sccc21)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 796485028 AWAZTBMASXOFTH-DINDLPBHSA-N 438.889 4.130 5 20 IIBD CC(C)CC(=O)Nc1ccc(C(=O)O[C@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)cc1F 813171694 QVUXUPTURMUUBB-IBGZPJMESA-N 443.475 4.150 5 20 IIBD CC(C)OC(=O)[C@@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 813971086 HPJNNDNPVKTQFX-VWLOTQADSA-N 429.472 4.391 5 20 IIBD Cc1cc(Cl)c(C(=O)OCC(=O)N(Cc2ccccc2)CC(F)(F)F)cc1[N+](=O)[O-] 815406207 YSGZOQWABINBQG-UHFFFAOYSA-N 444.793 4.305 5 20 IIBD O=C(OCC[C@@H](c1ccccc1)C(F)(F)F)c1cc([N+](=O)[O-])ccc1N1CCOCC1 816476387 YSENJTYCKLLWQE-SFHVURJKSA-N 438.402 4.324 5 20 IIBD C[C@H](OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(=O)Nc1ccc2ccccc2c1 849194448 NJHZWVWADGKZDZ-HNNXBMFYSA-N 430.420 4.118 5 20 IIBD COc1ccc(CN(C)C(=O)[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(C)C)cc1 877120183 PGNKSJKKDWYEQY-IBGZPJMESA-N 434.876 4.097 5 20 IIBD CCc1nc2ccc(C(=O)OCc3nc(-c4cccc([N+](=O)[O-])c4)no3)cc2nc1CC 914796366 LDOZCZZIFUJRIP-UHFFFAOYSA-N 433.424 4.070 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Br)cc1Cl 917323668 IAPSVVZIIKIHNW-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c(O)c1C 919544850 QPWUEOADWJJUBN-LLVKDONJSA-N 426.347 4.120 5 20 IIBD CCc1cc(=N[C@@H](C)c2ccc(N3CCOC3=O)cc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 920959820 ISJVEGSPVFLSNJ-HNNXBMFYSA-N 433.468 4.166 5 20 IIBD Cn1c(COc2ccccc2Cl)nn(CN2Cc3ccc([N+](=O)[O-])cc3C2)c1=S 1116151745 IKRWDKSYRYNCFK-UHFFFAOYSA-N 431.905 4.065 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(CCCCOc2ccc(S(C)(=O)=O)cc2)n1 1116612368 MLNVFCJJKRFVGQ-UHFFFAOYSA-N 445.497 4.067 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCc2ccc(Br)o2)cc1[N+](=O)[O-])c1ccccn1 1116706543 CVWHTJYXHLCOEH-LBPRGKRZSA-N 445.273 4.448 5 20 IIBD Cc1nc2ccccc2n1Cc1nnc(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 1117187567 GRTOZFIKARCMOK-UHFFFAOYSA-N 446.389 4.358 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H]1c1nnc(CCSc2ccc(F)cc2)o1 1322288741 FXWKEANQMVCFGZ-CQSZACIVSA-N 448.501 4.491 5 20 IIBD CCN(CC)C(=O)CCC1CCN(Cc2ccc([N+](=O)[O-])cc2Br)CC1 1338320438 QQZOEUJKNNOEMT-UHFFFAOYSA-N 426.355 4.218 5 20 IIBD O=C(c1ccncc1)N1CCC(NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 1341870606 SINANEORQQCNQO-UHFFFAOYSA-N 440.887 4.298 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3cccnc3Cl)cc2)CCC1)c1ccc([N+](=O)[O-])o1 1785752839 SYGYDAVSIWUHNE-UHFFFAOYSA-N 440.843 4.298 5 20 IIBD C/C(=C\c1cccnc1)C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1 1790188410 NVFLMGMNPBSDKZ-JQIJEIRASA-N 445.479 4.169 5 20 IIBD CC(C)CC(=O)NC1(c2ccc(NC(=O)Cc3cc(F)ccc3[N+](=O)[O-])cc2)CCC1 1792311193 ZAKBFJZWRYHSKB-UHFFFAOYSA-N 427.476 4.457 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/C2CC2)n[nH]1 1814905113 XFNIEQFBLHAAAZ-HKMNZKMDSA-N 441.463 4.038 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC([C@H]2CCCCN2C(=O)C2CCC2)CC1 1826249389 IGXYCRRZOJKXJC-RJRNSMGGSA-N 425.529 4.028 5 20 IIBD CC(C)[C@H]1CC[C@H](C(=O)N2CC3(CCCN3C(=O)CCc3cccc([N+](=O)[O-])c3)C2)CC1 1841808308 FRJBVWLCICOMLY-MEMLXQNLSA-N 441.572 4.193 5 20 IIBD CCc1nc2ccccc2c(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1C 3474539 CULDPEKFIKMGBL-AWEZNQCLSA-N 437.452 4.206 5 20 IIBD Cc1nn(-c2ccc(C(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCCO4)cc2)c(C)c1Cl 10964494 RUJLGAQYGAEOQA-UHFFFAOYSA-N 442.859 4.464 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc(N2CCCCCC2)cc1 13099739 KVKLNRXOMNCWSU-UHFFFAOYSA-N 438.484 4.302 5 20 IIBD COC(=O)c1cc(Br)ccc1NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 14786098 SUGACARWSYSRNW-UHFFFAOYSA-N 425.260 4.118 5 20 IIBD Cc1nn(-c2ccc(C(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)cc2)c(C)c1Cl 18077671 QCJFHIPZVGDEMN-UHFFFAOYSA-N 439.903 4.013 5 20 IIBD CCOc1cc(C(=O)O[C@H](C)C(=O)Nc2cc(Cl)ccc2C)c([N+](=O)[O-])cc1OC 18613605 LZGUQYILOOFVGJ-GFCCVEGCSA-N 436.848 4.148 5 20 IIBD C[C@@H](OC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 21665320 PBKNPLRSMQCBJP-MRXNPFEDSA-N 440.477 4.338 5 20 IIBD Cc1nc(-c2ccc(CCNC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)cc2)cs1 46747154 IUXFTPHVHKVBFN-UHFFFAOYSA-N 433.493 4.185 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NCCCn3cnc4ccccc43)cc2[N+](=O)[O-])C1 61529682 DBCFWBQWWMSGMN-HDICACEKSA-N 435.528 4.247 5 20 IIBD CCCS(=O)(=O)Nc1cccc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1C 109139414 RFBOZALPKNYOJH-CQSZACIVSA-N 437.543 4.174 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)ccc1[N+](=O)[O-] 110321504 PFZLDJJYSSOTEH-NRFANRHFSA-N 448.479 4.418 5 20 IIBD O=c1c(Cl)c(NC[C@H](c2cccs2)N2CCCC2)cnn1-c1ccc([N+](=O)[O-])cc1 301494608 ADASHGSENYKKBZ-QGZVFWFLSA-N 445.932 4.105 5 20 IIBD O=[N+]([O-])c1cc2c(O)ncnc2cc1N1CCC(c2ccccc2Br)CC1 302582535 UICASJBMVIGMTM-UHFFFAOYSA-N 429.274 4.390 5 20 IIBD CC(C)(c1ccccc1)c1nnc(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)s1 303439618 FJXTVLIQFNMSGD-UHFFFAOYSA-N 435.465 4.278 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N(CCc1ccccn1)Cc1ccc(F)cc1 303714387 UZKQPTZTHZJSCY-UHFFFAOYSA-N 446.438 4.268 5 20 IIBD CC(C)(CNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc(C(F)(F)F)cc1 426240914 XHLGAYRBCOLQDM-UHFFFAOYSA-N 439.438 4.134 5 20 IIBD C[C@@H]1CN(C(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)CC[C@@H]1O 428687848 DZTKASZYCMWRKN-CNMACFBPSA-N 437.521 4.365 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(CO)C[C@@H]1c1ccc(F)cc1 430138841 OJEBOPZAXGZKOH-KNQAVFIVSA-N 432.517 4.378 5 20 IIBD COc1cc(CN(Cc2ccc(Cl)cc2)Cc2cnn(C)c2)c([N+](=O)[O-])cc1OC 430765390 IIMXXMWGBJUZFB-UHFFFAOYSA-N 430.892 4.201 5 20 IIBD C[C@@H](C(=O)N(Cc1ccc(Cl)cc1)Cc1cnn(C)c1)c1ccc([N+](=O)[O-])cc1F 431265174 VQHLYKNCMJNHIJ-CQSZACIVSA-N 430.867 4.453 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)c1 431910487 VBVSNNOJIDJSBA-UHFFFAOYSA-N 445.229 4.201 5 20 IIBD Cc1c(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)noc1-c1ccccc1F 433919625 NKPVBMKWRUUIOH-UHFFFAOYSA-N 438.337 5.038 5 20 IIBD Cc1c(NC(=O)[C@H](C)Nc2cnn(-c3ccccc3Br)c2)cccc1[N+](=O)[O-] 435986057 VBNBOMFMRQBQLV-ZDUSSCGKSA-N 444.289 4.291 5 20 IIBD O=C(Nc1ccc(N2CCOCC2)c2ccncc12)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437368353 ZMOZMMQLNKSRMU-UHFFFAOYSA-N 446.385 4.251 5 20 IIBD COc1cc(C(=O)N[C@H]2C[C@H](c3ccccc3)C2)c([N+](=O)[O-])cc1OCc1cscn1 437441083 HACDYFBBYUVISL-WKILWMFISA-N 439.493 4.315 5 20 IIBD O=C(Nc1ccc(OC2CCCC2)c(F)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 438638292 DAYNDCKNBKDMAE-UHFFFAOYSA-N 428.464 4.409 5 20 IIBD COC(=O)c1occc1CN(C(=O)Cc1cccc([N+](=O)[O-])c1C)[C@@H](C)c1ccccn1 438907517 PDPQUBFLNSRFKE-INIZCTEOSA-N 437.452 4.010 5 20 IIBD COc1ccc(CC[C@@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2C)cc1OC 438908755 BNDKJMOLRSEQDS-FQEVSTJZSA-N 426.513 4.477 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccccc1SCc1occc1C(=O)O 439715869 QGOKVFHESOORHE-UHFFFAOYSA-N 442.449 4.117 5 20 IIBD O=C(NCCCNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])c1cccs1 440721525 ITZYQRTVGLEVDA-UHFFFAOYSA-N 441.534 4.357 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc(OCC(F)F)cn2)no1 442668444 AOYIMODARZTGNP-SECBINFHSA-N 426.763 4.477 5 20 IIBD O=C(CN1CCc2ccc([N+](=O)[O-])cc2C1)N[C@@H](c1ccc(F)cc1)c1cccs1 446734396 DZNNBNXVEJDWEU-QFIPXVFZSA-N 425.485 4.059 5 20 IIBD O=C(Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])c1cnnn1-c1cccc(F)c1 448394848 GDZYPRIDHMJVSA-UHFFFAOYSA-N 433.399 4.146 5 20 IIBD COc1cccc(-n2c(NC(=O)c3cc(OC)c(OC)c([N+](=O)[O-])c3)nc3ccccc32)c1 460385837 IQMSNWKSRBHJOM-UHFFFAOYSA-N 448.435 4.212 5 20 IIBD CO[C@H]1CCCC[C@H]1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 460590926 FOUYNSMZWZQABI-YADHBBJMSA-N 434.496 4.064 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N(Cc3ccco3)Cc3ccco3)n2C[C@H]2CCOC2)c1 461583099 WXRRSKJJFUHEKH-QGZVFWFLSA-N 449.467 4.283 5 20 IIBD Cc1cc(N2CCC(OCCN3C[C@@H](C)O[C@H](C)C3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] 461963190 YVEJNCZXJYMYOQ-HZPDHXFCSA-N 445.482 4.017 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc(Br)c2c(c1)OCCO2 462503870 RDPOPIHDYWGUKU-HNNXBMFYSA-N 449.301 4.014 5 20 IIBD CCO[C@@H](C)c1nc(CN2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC2)cs1 463071082 QQKZXUHYSIDAAH-HNNXBMFYSA-N 427.530 4.019 5 20 IIBD COc1cc(CSc2nnc(Nc3cccc(NC(C)=O)c3)s2)c([N+](=O)[O-])cc1F 463439295 JKRLGCNUDRIQLW-UHFFFAOYSA-N 449.489 4.588 5 20 IIBD COc1cc(C(=O)N(CCc2ccc(C)cc2)CC(F)(F)F)cc([N+](=O)[O-])c1OC 463934605 SMRLJMGJPCUHPZ-UHFFFAOYSA-N 426.391 4.168 5 20 IIBD CC[C@@H]1Oc2cc([C@@H](C)NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)ccc2NC1=O 465355132 DRXYXPCHDLWOFS-BZNIZROVSA-N 425.466 4.410 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNCCc3cn4c(n3)SCC4)o2)c(Br)c1 466446708 RRYJXBZVUIXXMI-UHFFFAOYSA-N 449.330 4.252 5 20 IIBD CNc1c(C(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)cccc1[N+](=O)[O-] 468579780 UNYLSOGIQNHUBL-HNNXBMFYSA-N 433.306 4.116 5 20 IIBD CC(C)[C@H](NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C 470627033 OUKZNIGTKOTINH-QRWLVFNGSA-N 442.516 4.259 5 20 IIBD Cc1ccc([C@H]2OCCC[C@@H]2Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)cc1 470882473 ZOKRFWVMBNAODQ-RBBKRZOGSA-N 445.541 4.020 5 20 IIBD CSc1ccc(C(=O)N(CC(=O)OC(C)(C)C)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 479986283 DQHQQAHNTKBIPU-UHFFFAOYSA-N 446.481 4.034 5 20 IIBD Cc1ccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1-c1ncco1 481892363 RNMGJZQQZISJPY-UHFFFAOYSA-N 436.453 4.090 5 20 IIBD COC(=O)c1csc(-c2cccc(CNC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)c2)n1 481907427 VETVQGWHPWRNQB-UHFFFAOYSA-N 439.493 4.099 5 20 IIBD CCCOc1cc(NC(=O)c2cccc(C(=O)N(C)C)c2)c([N+](=O)[O-])cc1OCCC 482040543 PHYYMIFVCPMWPN-UHFFFAOYSA-N 429.473 4.127 5 20 IIBD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)NCc3cccc([N+](=O)[O-])c3C)ccc21 484131787 QSOMEELUCQJYPU-UHFFFAOYSA-N 437.500 4.048 5 20 IIBD O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)c1sc(Br)cc1[N+](=O)[O-] 485913795 OHIIAEVPGRQYBB-SNVBAGLBSA-N 444.738 4.471 5 20 IIBD COc1cc(C(=O)NCc2nncn2C(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 485965353 SSBOIHMQXLDHQT-UHFFFAOYSA-N 445.863 4.152 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCC(Oc4ncccc4F)CC3)cc2[N+](=O)[O-])CC1 487783210 KSGDUTIJJATNNH-UHFFFAOYSA-N 442.491 4.049 5 20 IIBD Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cccc1N1CCNC1=O 488634965 ZYWZEWHABIWETL-UHFFFAOYSA-N 432.436 4.477 5 20 IIBD C[C@H](NC(=O)[C@H](C)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc(Cl)cc1Cl 488968576 AIUJAOWFXVZQKQ-STQMWFEESA-N 440.331 4.001 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1[N+](=O)[O-] 491602907 YLNVNBVWERCYQI-UHFFFAOYSA-N 431.495 4.326 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC2(CC1)OCCc1ccsc12 492349617 GRMVOLGWCODJRG-AWEZNQCLSA-N 426.498 4.331 5 20 IIBD CCc1ccc([C@H](NCCc2ccccc2[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 493277076 ONXSYWXDCZXFRP-DEOSSOPVSA-N 438.549 4.482 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 494613676 GREXDEDHVGHJDI-INIZCTEOSA-N 446.328 4.429 5 20 IIBD CCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)[C@H](c1ccc(Cl)cc1)c1cccnc1 496497302 QHWFUYUMTQLLJM-JOCHJYFZSA-N 441.919 4.485 5 20 IIBD COc1cc(C(=O)N[C@H](C)c2ccc(OC(F)F)cc2)c([N+](=O)[O-])cc1OC(F)F 497515640 PEBDCLZRGXKHPT-SECBINFHSA-N 432.326 4.297 5 20 IIBD COc1ccc(NC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)cn1 499600798 ZLWMSCYCHASZCH-UHFFFAOYSA-N 426.816 4.156 5 20 IIBD COc1cccc(-n2nc(C)c([C@@H]3COCCN3c3ccc(F)cc3[N+](=O)[O-])c2C)c1 500892093 PNFXRKVQGCQBEM-NRFANRHFSA-N 426.448 4.123 5 20 IIBD CC[C@@H](C(=O)N1CCC(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1)c1ccccc1 502014607 CYECTJADDBDWNC-HXUWFJFHSA-N 435.480 4.256 5 20 IIBD O=C(N[C@@]1(Cc2ccc(Cl)cc2)CCOC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 506593555 DFUCCRMRIBJJBN-RUZDIDTESA-N 432.907 4.466 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccnc(Oc2ccccc2)c1 509860517 BONSSCLHBNXHLX-UHFFFAOYSA-N 434.408 4.109 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 513351315 KXKFLPXPPPRYRA-UHFFFAOYSA-N 449.389 4.359 5 20 IIBD O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 513812800 RRBJZWPRZCVGQZ-UHFFFAOYSA-N 437.403 4.066 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)NCCNc1ccccc1[N+](=O)[O-] 514022340 LLWOXHUIAXMPEL-OAHLLOKOSA-N 425.514 4.499 5 20 IIBD COc1cccc(-c2nnc(Sc3c([N+](=O)[O-])ncn3C)n2-c2ccc(Cl)cc2)c1 514653469 RCVWVWRYTUVABE-UHFFFAOYSA-N 442.888 4.389 5 20 IIBD CN(C)Cc1ccc(-c2ccccc2CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1 517551052 MIYFTUISIOSNAQ-UHFFFAOYSA-N 432.524 4.365 5 20 IIBD O=C(Nc1ccccc1)Nc1cccc(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1 517896496 QOXYYXQRJSFMOT-UHFFFAOYSA-N 430.417 4.179 5 20 IIBD COc1cc(Cc2noc(-c3cscc3Br)n2)c([N+](=O)[O-])c(OC)c1 519791651 XUPUTLIWWRHUGI-UHFFFAOYSA-N 426.248 4.077 5 20 IIBD COc1cccc([C@H](CNCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)N(C)C)c1 520191883 QCWGPSWVDYFQHA-QFIPXVFZSA-N 425.485 4.265 5 20 IIBD O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 520698280 SUASPSZEWZALOF-ZWKOTPCHSA-N 442.365 4.325 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCCC[C@@H]3c3ncon3)cc2[N+](=O)[O-])n1 523156407 UTKAVDGCTMIMII-CYBMUJFWSA-N 431.499 4.261 5 20 IIBD Cc1nn(CCC(=O)Nc2ccc3nc(-c4cc(F)ccc4F)[nH]c3c2)c(C)c1[N+](=O)[O-] 523224157 OHUPLDNTZKAUDE-UHFFFAOYSA-N 440.410 4.258 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])Nc1cc(-c2ccco2)nn1-c1ccc(F)cc1F 524238879 BVAGLGFZFJUUMK-UHFFFAOYSA-N 440.362 4.336 5 20 IIBD COc1cc(C(=O)NCc2ccc(CN3CCc4ccccc43)cc2)cc([N+](=O)[O-])c1OC 525559125 ZCZHMJAPDIBUDW-UHFFFAOYSA-N 447.491 4.105 5 20 IIBD C[C@@H]1CN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc2NC1=O 525662814 NCKIQEDMDFIPTC-GFCCVEGCSA-N 436.390 4.037 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 534604734 PSZAEIPDZTZZTR-UHFFFAOYSA-N 448.458 4.381 5 20 IIBD COc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])s2)cc1 536499010 WDHPBDIZGROMGO-JTQLQIEISA-N 434.861 4.181 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccn(-c2ccc(F)cc2)n1 537152513 ZSPKVKKXWPHZBP-UHFFFAOYSA-N 428.489 4.393 5 20 IIBD COc1cc(CN2CC[C@@H](CN3CCCC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 537616297 NFWUPNOSLSUYMQ-FQEVSTJZSA-N 425.529 4.100 5 20 IIBD CCN1CC[C@@H](N(C)Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C[C@@H]1C 538717188 JOHVJWPKNLJMDZ-GHTZIAJQSA-N 427.545 4.487 5 20 IIBD Cc1ccc(NC(=O)C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)CC2)nc1 540434641 CYRGOZXZODHCQX-UHFFFAOYSA-N 442.541 4.290 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCO[C@H](Cc3ccccc3)C2)cc1[N+](=O)[O-])c1ccccn1 540684089 KHIZMAMGSNXNOP-WIYYLYMNSA-N 446.507 4.247 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@H](C)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 542589018 RNHFSXBUIBPNJV-LBPRGKRZSA-N 440.481 4.045 5 20 IIBD COc1cc(Cc2noc(-c3csc(Cc4ccccc4F)n3)n2)ccc1[N+](=O)[O-] 545076888 PCOZXRQCRZHEOI-UHFFFAOYSA-N 426.429 4.431 5 20 IIBD COCCOc1ccc(Cl)cc1-c1noc(-c2ccn(-c3cccc([N+](=O)[O-])c3)n2)n1 546462606 RPBPVGNTMONSAB-UHFFFAOYSA-N 441.831 4.176 5 20 IIBD Cc1noc(C)c1COc1ccc(Cc2nc(CCNc3ccccc3[N+](=O)[O-])no2)cc1 547082310 AVHYRCWTKGOAMX-UHFFFAOYSA-N 449.467 4.407 5 20 IIBD CCOC(=O)c1cc(COC)cc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1 553803429 XERMINYBBTUFPJ-UHFFFAOYSA-N 430.460 4.257 5 20 IIBD Cc1cccc(CC2(O)CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3CC(C)C)CC2)c1 555347007 OULPHATZCATQSK-UHFFFAOYSA-N 449.555 4.392 5 20 IIBD COC(=O)CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)c1ccccc1 555880211 VGSCSNIDRKHEQW-KRWDZBQOSA-N 435.274 4.090 5 20 IIBD COc1ccc2c(c1)CCC[C@@H]2N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br 558065893 YFIHECGTEYINNO-IBGZPJMESA-N 448.317 4.314 5 20 IIBD CCOCCOc1cc(C)ccc1CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 560242771 UGFDRJLBPNJMGB-UHFFFAOYSA-N 426.391 4.267 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2c2nc(Cc3csc(C(C)C)n3)no2)ccc1[N+](=O)[O-] 564610502 SGTJCGBEBLKBSC-KRWDZBQOSA-N 441.513 4.434 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)CN(C(C)C)CC2 565092821 MXVOKRFAUPOJDP-UHFFFAOYSA-N 439.335 4.141 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1nnc(C2CCOCC2)s1 569494343 KNNSDGNGTXMOQF-UHFFFAOYSA-N 448.448 4.090 5 20 IIBD Cc1ccc(C[C@H]2CCCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)C2)cc1 570653780 WJOSJQPVJKLWNS-QPPBQGQZSA-N 449.551 4.298 5 20 IIBD C[C@@H](NC(=O)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1)c1cccc([N+](=O)[O-])c1 574311567 YXYMAPVZLNRYRS-ACJLOTCBSA-N 439.390 4.338 5 20 IIBD COCC[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 576250451 UUBLBVCJGYFIQY-OAHLLOKOSA-N 433.313 4.495 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(Cc3ccc(Cl)cc3Cl)no2)c1N1CCOCC1 576858583 IBFVFPLCESUDFP-UHFFFAOYSA-N 435.267 4.379 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(F)cc2OC2CCOCC2)cc1SC 580626318 QDZVMKCDJYYHMH-UHFFFAOYSA-N 436.461 4.275 5 20 IIBD O=C(O)[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1Br 581584292 HNTFZAQXKDVPRT-MRXNPFEDSA-N 448.298 4.396 5 20 IIBD Cn1cc([N+](=O)[O-])cc1C(=O)N(Cc1ccncc1)c1ccc(F)c(Br)c1 582399191 LTULHWIWWRULIZ-UHFFFAOYSA-N 433.237 4.077 5 20 IIBD C[C@H](c1cccc(Br)c1)N(CC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1F 583558013 OBEBVMVJMGRMEX-SNVBAGLBSA-N 440.225 4.176 5 20 IIBD Cc1cc(=O)c(C(=O)N(CCc2ccccc2)C2CCCC2)nn1-c1ccccc1[N+](=O)[O-] 603530828 HSGZSMFNCBJUCM-UHFFFAOYSA-N 446.507 4.077 5 20 IIBD COc1cc(CCNC(=O)Nc2ncc(Cc3ccccc3)s2)c([N+](=O)[O-])cc1OC 603648894 XJMVWGPACYPTPI-UHFFFAOYSA-N 442.497 4.024 5 20 IIBD CCOc1ccccc1Oc1ccc(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cn1 603867516 WYOSTPAOJFLLND-UHFFFAOYSA-N 443.481 4.196 5 20 IIBD COc1cc([C@@H](C)NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)ccc1OC1CCCC1 604456346 JZSZZOQLIOWYRS-OAHLLOKOSA-N 444.484 4.190 5 20 IIBD CCOC(=O)CN(C)C(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 609167730 FNRNBYYSUYSMPW-UHFFFAOYSA-N 442.415 4.400 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)cc1[N+](=O)[O-] 609319788 LIPIOXUPLVXGEE-QGZVFWFLSA-N 449.287 4.111 5 20 IIBD CCCO[C@@H]1CCCN(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 609399962 XWZXGQDBCRFIAH-OAHLLOKOSA-N 432.443 4.016 5 20 IIBD C[C@H](NC(=O)CCC[S@](=O)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 609547474 GTQZWLUPCBWFDF-NRRJATNASA-N 439.331 4.123 5 20 IIBD O=C(Nc1ccc(N2CCc3sccc3C2)nc1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609548198 ODBJECBIZJOKNO-UHFFFAOYSA-N 447.476 4.120 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 609696974 QEEYKQIKWHNFAC-HKBQPEDESA-N 437.521 4.484 5 20 IIBD Cc1cc(C)n(Cc2cccc(-c3noc(-c4cc(O)nc5ccc([N+](=O)[O-])cc45)n3)c2)n1 609781514 TZGMOSILDKEJKQ-UHFFFAOYSA-N 442.435 4.427 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 610598182 WEUDZKNUCGCTCG-QNSHHTMESA-N 434.720 4.215 5 20 IIBD O=C(Cc1ccccc1)Nc1cc(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1F 611530260 PYURGSFDEKIPEA-UHFFFAOYSA-N 437.427 4.298 5 20 IIBD COc1ccccc1OCC(=O)Nc1cccc(Nc2ncnc3ccc([N+](=O)[O-])cc23)c1 611700963 KPHYSOZFVJTZHJ-UHFFFAOYSA-N 445.435 4.308 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)/C(=C/c1cccs1)n1nnnc1-c1ccccc1 726916349 PXGFGPJXUVHCMJ-PDGQHHTCSA-N 436.428 4.086 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cccc(CC[C@H](O)c3ccccc3)c2)c([N+](=O)[O-])c1 727361141 BHZILIUFVYJEKY-NRFANRHFSA-N 442.493 4.070 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 727710248 KMHWTEDFPTXLDT-GFCCVEGCSA-N 441.793 4.254 5 20 IIBD O=C(COC(=O)CCc1cccc(OC2CCCC2)c1)Nc1cc([N+](=O)[O-])ccc1F 727891481 WSQHEAXYXXODKJ-UHFFFAOYSA-N 430.432 4.170 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 730108181 DLIHCRWFKQVSFC-GFCCVEGCSA-N 428.327 4.487 5 20 IIBD CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccc(OCC(C)C)cc2)NC(=S)N1 730203840 XZQNFKDBUAUELM-HXUWFJFHSA-N 440.525 4.061 5 20 IIBD O=[N+]([O-])c1ccc([C@H](O)CNCc2cn(Cc3ccccc3)nc2-c2ccccc2)cc1 731678781 PMSXEMQUEAWUHG-XMMPIXPASA-N 428.492 4.330 5 20 IIBD COc1cc(OCC(=O)OCc2cc(Br)ccc2Cl)ccc1[N+](=O)[O-] 733008857 DKXHEOCLCGHOPB-UHFFFAOYSA-N 430.638 4.142 5 20 IIBD COc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)cc1NC(=O)C1CCCCC1 734780241 PVXQFDMXZOXXCJ-UHFFFAOYSA-N 445.447 4.279 5 20 IIBD C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)OCc1cc([N+](=O)[O-])ccc1Cl 734975056 LPKDWKRKYBXHTB-SECBINFHSA-N 431.659 4.417 5 20 IIBD O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)ccc1F 743252351 YDBFLZGUYIMPGV-UHFFFAOYSA-N 443.172 4.316 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N(CC(F)(F)F)c1ccc(Br)cc1 744368016 WELXBINQFRQLFT-UHFFFAOYSA-N 448.151 4.475 5 20 IIBD C[C@@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 745329895 KSTOKOXLYTTXHI-OAHLLOKOSA-N 440.452 4.139 5 20 IIBD O=C(NC1(c2noc([C@H]3CCOC3)n2)CCCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 749165998 LJIPFNXFVQWQFC-AWEZNQCLSA-N 434.880 4.115 5 20 IIBD Cc1nc(CCCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cs1 749968437 MRILLXJKLCTGSZ-UHFFFAOYSA-N 442.463 4.050 5 20 IIBD O=C(Nc1cccnc1)c1ccc(OC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 750822945 XUBSDNODTWZRSF-UHFFFAOYSA-N 442.225 4.224 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCC2([C@H](O)c3ccccc3)CC2)cc1[N+](=O)[O-])c1ccccn1 752346899 MGGBMRUWRUQXSM-GAJHUEQPSA-N 446.507 4.407 5 20 IIBD CN(C)C(=O)Sc1cccc(COC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 752527244 CTPQDKIEHOCLGV-UHFFFAOYSA-N 443.525 4.328 5 20 IIBD O=C(Nc1cccc2nonc12)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 752950208 NSZLKMMUYKSIRR-UHFFFAOYSA-N 435.362 4.005 5 20 IIBD CCN(C(=O)COC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1nc2ccccc2s1 755054762 MWYZNMQWTWLPAD-GFCCVEGCSA-N 431.445 4.043 5 20 IIBD C[C@@H](OC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 756749300 LCUNOFGCOANQBY-GLEZIHRCSA-N 447.658 4.159 5 20 IIBD CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 757264048 VSUQMVRCZLUFQS-UHFFFAOYSA-N 425.316 4.175 5 20 IIBD O=C(N[C@H]1C[C@@H]1c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1Br 758233043 FINPEYKWUJXNGJ-OLZOCXBDSA-N 440.091 4.406 5 20 IIBD Cc1nn(C)c(C)c1[C@H](OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(F)(F)F 760760609 MEQOVZCGOPMIOV-ZDUSSCGKSA-N 425.285 4.424 5 20 IIBD C[C@]1(c2ccc(Br)cc2)CC(=O)N(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1=O 761734501 TTXKFPBPXLSNNI-GOSISDBHSA-N 437.677 4.228 5 20 IIBD CCCNC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)cc1Cl 761892531 UTZFJZLDHYKKCR-UHFFFAOYSA-N 446.312 4.151 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 761899169 WWMSSKBVVNMMTQ-HHHXNRCGSA-N 444.962 4.405 5 20 IIBD C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1nc(-c2ccccc2)no1 762154987 JASZEDZJZVUTEC-SNVBAGLBSA-N 449.236 4.080 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 764150083 NBENKDBYMMUPNW-UHFFFAOYSA-N 436.409 4.065 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 764615591 YFBJOUQTFUQLKP-UHFFFAOYSA-N 446.485 4.083 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 770015626 IPWFGWNXWZGHRL-QWHCGFSZSA-N 426.901 4.405 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CN3CCOC[C@H]3C[C@H](O)c3ccccc3)cs2)c1 770350246 GKHPMAIVXQBVJD-RTWAWAEBSA-N 425.510 4.043 5 20 IIBD COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)c1 773466812 HCBQEIORDMPNLW-DZGCQCFKSA-N 436.258 4.221 5 20 IIBD O=C(CCc1ccc2[nH]ccc2c1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 775698964 VZHRRFLITTYZQZ-UHFFFAOYSA-N 446.429 4.376 5 20 IIBD COc1ccc([C@@H]2[C@H](COC(=O)c3cccc(SC)c3[N+](=O)[O-])CCC(=O)N2C)cc1 777320146 DTOXHYXVRVXSFJ-MGPUTAFESA-N 444.509 4.092 5 20 IIBD O=C(N[C@H]1CCCOc2cc(F)ccc21)c1cc(F)cc([N+](=O)[O-])c1Br 777499394 GHAIBWDTCSNQDX-ZDUSSCGKSA-N 427.201 4.279 5 20 IIBD Cc1noc(-c2cc(Cl)ccc2OS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1 778079724 DFUMYQBHHJGMAP-UHFFFAOYSA-N 430.225 4.028 5 20 IIBD COc1cc(COC(=O)[C@H]2C[C@@H]2c2sccc2C)c([N+](=O)[O-])cc1OCC(F)F 780075375 ODJQMSMPFULHEK-STQMWFEESA-N 427.425 4.464 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(Cc2cccc(OC)c2)CC1 780388466 RCOIZIWWUFSQKC-UHFFFAOYSA-N 443.569 4.500 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)c1 781082427 ULMZGCYRQTWENX-UHFFFAOYSA-N 443.525 4.497 5 20 IIBD COc1ccccc1[C@@H](C)N(C)C(=O)COC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 781260753 VBFUXXGVEPSROD-MRXNPFEDSA-N 444.487 4.066 5 20 IIBD O=[N+]([O-])c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(Cl)nc2)c(Cl)c1 782314817 WHBNSCHZYSCQFH-UHFFFAOYSA-N 442.280 4.281 5 20 IIBD COc1ccc(NC(=O)N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] 782626801 ANAHPGJTILUAAX-UHFFFAOYSA-N 436.509 4.104 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 783932016 IHHKITHUURDJFZ-LJQANCHMSA-N 426.901 4.407 5 20 IIBD C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 784088298 LHXBFVYEFNMCFW-JSGCOSHPSA-N 443.953 4.245 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N(C)[C@H]2CCCc3ccccc32)cc1[N+](=O)[O-] 784645920 CWWLRFYKKYEBRC-KRWDZBQOSA-N 446.301 4.140 5 20 IIBD Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)N(C)C 785858178 QQKMLWHHJRALHJ-XIKOKIGWSA-N 438.297 4.226 5 20 IIBD CCN(CC)C(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 785942108 LSKOLUNWGCDBOZ-UHFFFAOYSA-N 434.290 4.400 5 20 IIBD O=C(NCC1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1)OCc1ccccc1 787789797 OWBOELCNRIWFQQ-UHFFFAOYSA-N 431.876 4.027 5 20 IIBD Cc1cnc(COC(=O)c2cccnc2SCc2c(C)noc2C)c(C)c1[N+](=O)[O-] 789671136 JRDPZYDWWHXYGD-UHFFFAOYSA-N 428.470 4.256 5 20 IIBD O=[N+]([O-])c1ccc(Br)c2c1CN(Cc1nc(CCc3ccccc3)no1)CC2 792900466 WRPYJMDWIFPKCJ-UHFFFAOYSA-N 443.301 4.084 5 20 IIBD C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O 798279915 ODDFTIYGFBGQHD-JTQLQIEISA-N 436.802 4.251 5 20 IIBD Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCc2ncnn2CC(C)C)n1 801200771 XZJGLVVFVZHRKD-UHFFFAOYSA-N 433.515 4.115 5 20 IIBD CN(C)c1cc(F)c(C(=O)Nc2cccc3cc(Br)cnc23)cc1[N+](=O)[O-] 804269317 VOZZOPKUKVPHLV-UHFFFAOYSA-N 433.237 4.363 5 20 IIBD O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCN(c2ccccc2F)C1 811219646 SHMRGHOGNGPKAR-HNNXBMFYSA-N 427.457 4.427 5 20 IIBD C[C@H](OC(=O)c1c(F)cc(C(F)(F)F)cc1F)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 811420294 WOQZMAQSFNLGDD-ZETCQYMHSA-N 436.264 4.215 5 20 IIBD CON(C)C(=O)C1CCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 812779473 AKLDULABXZVSDR-UHFFFAOYSA-N 433.892 4.272 5 20 IIBD CC(C)(CCc1noc([C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)n1)[N+](=O)[O-] 812811233 OFEHKVCCLUBPRR-AWEZNQCLSA-N 427.288 4.342 5 20 IIBD Cc1c(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 887556489 UOIFVSXCNVCSNF-UHFFFAOYSA-N 449.445 4.347 5 20 IIBD CCOc1c(Cl)cc(/C=C2/N=C(c3ccc(OC)c([N+](=O)[O-])c3)OC2=O)cc1OC 912754699 RUQULHMXKCOYBF-RIYZIHGNSA-N 432.816 4.009 5 20 IIBD CC(C)c1c(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cnn1-c1ccccc1 913380627 ZEOHSDQAQQQBJF-UHFFFAOYSA-N 442.859 4.353 5 20 IIBD CCc1c(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1-c1ccccc1 914630720 UNIRQXUKACCWGZ-AWEZNQCLSA-N 433.424 4.311 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cnn(-c2ccc(F)cc2)c1C(C)C 914669945 FMPXHOHPOJCHRO-UHFFFAOYSA-N 440.431 4.147 5 20 IIBD COc1ccc(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1NC(=O)OC(C)(C)C 915224295 LXBJPZZRHAWYCC-ZDUSSCGKSA-N 430.461 4.390 5 20 IIBD Cc1noc(C)c1S(=O)(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1OCc1ccccc1 916111119 XHZYTBQKDAJKKG-UHFFFAOYSA-N 437.861 4.233 5 20 IIBD CCc1cccc(N2C(=O)/C(=C/c3ccc(Br)c([N+](=O)[O-])c3)NC2=S)c1 917603925 YWRIGBTVWQDLDQ-DHDCSXOGSA-N 432.299 4.182 5 20 IIBD Cc1sc(NC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)nc1-c1cccc([N+](=O)[O-])c1 917790713 KINKKOIPLGUAHL-UHFFFAOYSA-N 449.492 4.144 5 20 IIBD CC1=C(C(=O)N(C)C)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1c1ccc(F)c(Cl)c1 918113750 NXPQPYWNWUBNKV-GOSISDBHSA-N 432.839 4.020 5 20 IIBD O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 919440546 XSKWKJHBHFFCKD-NRFANRHFSA-N 436.395 4.033 5 20 IIBD COc1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c2ccc(F)cc2)cc1 920018288 MLUWAOYZZMNFDK-OAQYLSRUSA-N 439.399 4.479 5 20 IIBD Cc1cc(-c2nnc(-c3nn(Cc4ccccc4)c(=O)c4ccccc34)o2)cc([N+](=O)[O-])c1 1117203699 IBZOIHUPVVLZJX-UHFFFAOYSA-N 439.431 4.378 5 20 IIBD O=C(COC(=O)C1(c2ccc(Br)cc2)CCCC1)Nc1ccccc1[N+](=O)[O-] 1318144059 CNSZWKFRXZNWHY-UHFFFAOYSA-N 447.285 4.351 5 20 IIBD C[C@H](c1nn(CN2Cc3ccc([N+](=O)[O-])cc3C2)c(=S)n1-c1ccc(F)cc1)N(C)C 1318779524 QZMXOUOFYPMVAT-CQSZACIVSA-N 442.520 4.046 5 20 IIBD O=c1c2ccccc2c(-c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nn1Cc1ccccc1 1341221720 LEGSISSOZZIHPT-UHFFFAOYSA-N 425.404 4.070 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)CCc4cccc([N+](=O)[O-])c4)cc3)CCC2)n[nH]1 1786602381 LSQJSMUZEFRXFE-UHFFFAOYSA-N 447.495 4.007 5 20 IIBD Cc1c[nH]cc1C(=O)Nc1ccc(C2(NC(=O)c3cc([N+](=O)[O-])c(O)cc3C)CCC2)cc1 1788730998 DXSIFVZXMDLZLO-UHFFFAOYSA-N 448.479 4.307 5 20 IIBD Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@]3(C)C[C@@H]3C)CC2)cc1[N+](=O)[O-] 1830222705 OSAYBCBDXWMYCN-HMHJJOSWSA-N 441.572 4.112 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CC=CCC2)CC1 1830280596 LBVOHXMJTXQCFM-AVRDEDQJSA-N 443.519 4.324 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1F)N1CC2(CCCN2C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)C1 1843939203 PXRDZDKBHYEMTQ-BHIYHBOVSA-N 443.519 4.157 5 20 IIBD CCCCC[C@@H](C)C(=O)N1CCCC12CN(C(=O)CSc1ccccc1[N+](=O)[O-])C2 1846023831 TUGRHHJAWPHIMT-QGZVFWFLSA-N 433.574 4.107 5 20 IIBD Cc1noc(C)c1CSc1ccccc1C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 8713085 XAZHLMSCUKFNQZ-UHFFFAOYSA-N 441.465 4.287 5 20 IIBD C[C@H](OC(=O)CCc1ccccc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 10622819 UECVCOKMLKVHKX-AWEZNQCLSA-N 425.466 4.221 5 20 IIBD COc1cc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc(OC)c1OC 15567715 NBXKGKHRWPWCHT-UHFFFAOYSA-N 437.452 4.485 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N(C)CCOc3ccccc3Cl)cc2)c(C)c1[N+](=O)[O-] 16175632 FZDSOCWOFYTCHQ-UHFFFAOYSA-N 442.903 4.261 5 20 IIBD CC(=O)N(c1nc(COC(=O)c2cc([N+](=O)[O-])ccc2N)cs1)c1cccc(C)c1C 16814332 ITAHYQHUJNAPQW-UHFFFAOYSA-N 440.481 4.292 5 20 IIBD Cc1nn(Cc2ccc(C(=O)OCC(=O)c3ccc(Cl)s3)cc2)c(C)c1[N+](=O)[O-] 17158244 FXLJSLIOJMKMRL-UHFFFAOYSA-N 433.873 4.211 5 20 IIBD CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=S)Nc2ccc([N+](=O)[O-])cc2)c1 18168439 SJUSLJAMFHADER-UHFFFAOYSA-N 436.559 4.051 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 19164681 LUMAHQFBBWQXCI-UHFFFAOYSA-N 439.493 4.371 5 20 IIBD Cc1cc(=O)c(C(=O)O[C@@H](C)c2cccc([N+](=O)[O-])c2)nn1-c1cccc(C(F)(F)F)c1 20976866 QJFLROWIHLWIRW-ZDUSSCGKSA-N 447.369 4.386 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 22502237 XUAIMJTUOKPZCL-AWEZNQCLSA-N 426.425 4.210 5 20 IIBD O=C(c1cc2c(F)cccc2[nH]1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 29512503 ABDXVMBDMLGPNE-UHFFFAOYSA-N 436.365 4.196 5 20 IIBD COc1cc(C)ccc1NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 57785417 LHUKHPYRZZWJDZ-UHFFFAOYSA-N 438.406 4.285 5 20 IIBD O=C(c1ccc(NCc2ccccc2Oc2ccccc2)c([N+](=O)[O-])c1)N1CCOCC1 63282014 BRUIQKASLSAUDO-UHFFFAOYSA-N 433.464 4.472 5 20 IIBD C[C@@H](OC(=O)COc1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 104548880 TYPZSICNJYPYHC-SNVBAGLBSA-N 446.765 4.216 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ncccc2OCC2CCCCC2)cc([N+](=O)[O-])c1 109897189 OIFACMORTMMULO-UHFFFAOYSA-N 427.457 4.378 5 20 IIBD CN(C(=O)c1ccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])cc1)C1CCCCC1 117637732 XPZJETUHWPBWRD-UHFFFAOYSA-N 425.485 4.407 5 20 IIBD COc1ccc(-c2ccc(CNc3cc(-c4cccs4)nn3CCO)o2)c([N+](=O)[O-])c1 237427660 BIJJXLOKNJBXIX-UHFFFAOYSA-N 440.481 4.393 5 20 IIBD O=c1c(Cl)c(NCc2cccnc2OC2CCCC2)cnn1-c1ccc([N+](=O)[O-])cc1 301181524 NJCCQBHQOOTKMH-UHFFFAOYSA-N 441.875 4.123 5 20 IIBD O=C(Nc1ccccc1F)N1CCC[C@@H](C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 428718568 NFLHUFMILUIJRW-QGZVFWFLSA-N 440.475 4.169 5 20 IIBD C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@H](c2cccc(C(F)(F)F)c2)O[C@H](C)C1 428935967 QIOJQJPSJAMJKY-BIENJYKASA-N 437.418 4.403 5 20 IIBD CCC(=O)c1cccc(NS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1 433597638 ZNJDYQQKHGOIDC-UHFFFAOYSA-N 427.276 4.059 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cc(I)c(F)cc1F 435103437 ZTVKNCYTNPSISY-UHFFFAOYSA-N 432.164 4.347 5 20 IIBD O=C(N[C@@H](Cc1ccccc1)c1cccs1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 435870289 MQSWYSVCFYKBHO-KRWDZBQOSA-N 449.488 4.024 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccc(SC)cc1 436325609 ZHUZBCSNDYRNAV-JOCHJYFZSA-N 446.528 4.437 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(Cl)cc1-c1nc(C2CCCC2)no1 439689146 BJSLGWKBHBHFQX-UHFFFAOYSA-N 430.852 4.099 5 20 IIBD CCOC(=O)Cc1cccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 444084351 FLWKCZXPYAWXKD-UHFFFAOYSA-N 436.414 4.317 5 20 IIBD Cc1ccc(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c(OC[C@H]2CCCO2)c1 444228029 PYFTXIDEFIFJDH-HXUWFJFHSA-N 442.515 4.478 5 20 IIBD C[C@@H](NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1ccc([S@@](C)=O)cc1 444233509 BCBKECUALYURTM-MDQXEJNYSA-N 440.471 4.188 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC(c2nc3cccc(C)c3o2)CC1 445202266 FCMSASFMSCCDBR-UHFFFAOYSA-N 436.468 4.006 5 20 IIBD CCOc1cc(-c2noc(CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)ccc1O 445422043 ZTARQBXQPXHZFJ-UHFFFAOYSA-N 438.362 4.423 5 20 IIBD CC(C)[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1nc2ccccc2[nH]1 445518983 NCLMZZXOOWQVDR-GOSISDBHSA-N 431.290 4.290 5 20 IIBD Cc1cc(Br)c(S(=O)(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)s1 446938698 XJZMUBMYZNUQST-UHFFFAOYSA-N 431.333 4.081 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2N2CCCCC2)c(Br)c1 447010278 HYVTZOGAZZOPNX-UHFFFAOYSA-N 440.319 4.148 5 20 IIBD CCc1cc(=NC(=O)c2ccc(NC(=O)N(C)C)cc2Cl)c2cc([N+](=O)[O-])ccc2[nH]1 462603984 JREOTMZJIVLZAD-UHFFFAOYSA-N 441.875 4.127 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncc(Cc3cccc(F)c3)s2)c2ncccc12 464418800 IINPLXOLFMMOCI-UHFFFAOYSA-N 444.469 4.130 5 20 IIBD Cc1ccc2nc(CNC(=O)c3ccc(N[C@H](C)c4ccccn4)c([N+](=O)[O-])c3)[nH]c2c1 465198160 UMKCFIYCACOOEZ-OAHLLOKOSA-N 430.468 4.278 5 20 IIBD O=C(N[C@H]1CCO[C@]2(CCOC2)C1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 466257757 SEEZQKBYKHKLRL-HRAATJIYSA-N 448.928 4.467 5 20 IIBD COc1ccc(CCC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1Br 466294091 VDSIWXSSBAMRAW-UHFFFAOYSA-N 427.682 4.268 5 20 IIBD CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 466539523 LTDRWPBROKXDMM-CVEARBPZSA-N 433.917 4.044 5 20 IIBD O=C1C[C@@]2(CCCN(C(=O)c3cccc(Sc4ccc(Cl)cc4)c3[N+](=O)[O-])C2)CN1 466865895 IQYYWVKKVDYMMT-NRFANRHFSA-N 445.928 4.142 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](c3ccccc3)C[C@H]2C)cc1OC 466883702 HTIIURRDPZTBOI-SJLPKXTDSA-N 428.485 4.037 5 20 IIBD COc1ccc2c(c1)CN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)[C@H](c1ccccc1)C2 469468464 KIXOIQPLYUEKOF-QFIPXVFZSA-N 434.496 4.133 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)NC(=O)NCCCCc3ccc([N+](=O)[O-])cc3)n2)cc1F 472505779 WCDFOAKGZUJKRU-OAHLLOKOSA-N 441.463 4.475 5 20 IIBD COc1ccc(CNC(=O)NC(C)(C)c2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] 473427697 SEOXIYJVYZYBDM-UHFFFAOYSA-N 427.379 4.237 5 20 IIBD CO[C@H](C)c1nc(CN2CCCN(C(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)cs1 473868863 LPMRHCHLZLNVPI-MRXNPFEDSA-N 446.573 4.230 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-c2ccc(Cl)cc2Cl)nc1 475287258 UKJGEXXSHYYCOX-UHFFFAOYSA-N 445.262 4.219 5 20 IIBD Cc1cc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])ccc1OC1CCOCC1 477589000 OZFFXGQZLIQPJX-UHFFFAOYSA-N 433.892 4.479 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(NC(=O)c2ccccc2)cn1 477906536 UATGYGITFUUGLY-UHFFFAOYSA-N 448.482 4.441 5 20 IIBD O=C(N[C@@H](CO)c1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])cc1Br 478496110 XHVHBKUUWCDBTL-ZDUSSCGKSA-N 434.073 4.128 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1 478887273 RCUFBVMQHOMXHM-AUUYWEPGSA-N 436.295 4.080 5 20 IIBD CC(C)(C)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2I)c1O 480056766 AZERSMBZSROQQT-UHFFFAOYSA-N 440.237 4.455 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 480564481 BENDLKQHPGVHAK-UHFFFAOYSA-N 446.504 4.272 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NCC(F)(F)C(F)F 481709390 FPQSNWOXNYUJRG-UHFFFAOYSA-N 436.365 4.007 5 20 IIBD CC(C)n1cc2c(n1)C[C@@H](NC(=O)c1ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c1)CC2 481847787 PZSGDYWHFKAELF-HLIPFELVSA-N 439.560 4.142 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(CN2CCSCC2)cc1 486747282 SPCGQYDMIJKVNG-UHFFFAOYSA-N 439.459 4.092 5 20 IIBD COC(=O)[C@H]1CC12CCN(C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)CC2 486806277 XFAHJBHCYKCYNY-GOSISDBHSA-N 426.494 4.161 5 20 IIBD O=c1c(Cl)c(NC[C@H]2SCCc3ccccc32)cnn1-c1ccc([N+](=O)[O-])cc1 487651680 ZYIDBUDDXRNOAN-GOSISDBHSA-N 428.901 4.237 5 20 IIBD Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NCC(=O)Nc1cc([N+](=O)[O-])ccc1C 488015446 RJAANKDRGHECCV-HOTGVXAUSA-N 438.528 4.380 5 20 IIBD O=C(Nc1ccccc1COCc1ccccc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 488338817 WLQQLJWUOZTGHW-UHFFFAOYSA-N 435.484 4.377 5 20 IIBD Cc1cc(N2CCC(NC(=O)c3cc([N+](=O)[O-])ccc3SCC(C)C)CC2)nc(C)n1 489928739 BTPMAJRRLCTAGO-UHFFFAOYSA-N 443.573 4.149 5 20 IIBD O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)c1ccc([N+](=O)[O-])c2cccnc12 498184043 BOCQMNAGTMAZNW-UHFFFAOYSA-N 425.872 4.275 5 20 IIBD CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 498188758 YPVGZSMXHGQUFC-UHFFFAOYSA-N 433.443 4.377 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 498266584 FGQZBNAXVZDQBV-HNNXBMFYSA-N 447.426 4.352 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)cc1OC 502861125 OLVQTTVATBLKHQ-UHFFFAOYSA-N 443.283 4.208 5 20 IIBD COCCN(C(C)=O)c1nc(COc2ccc([N+](=O)[O-])cc2Cc2ccccc2)cs1 504538460 KFLVJPJWAONRNX-UHFFFAOYSA-N 441.509 4.220 5 20 IIBD CN(CCc1cccc2ccccc12)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 505173476 QKRROTZJEZRVNJ-UHFFFAOYSA-N 433.464 4.137 5 20 IIBD COc1cc(CN2CCC(c3nc4ccccc4[nH]3)CC2)c([N+](=O)[O-])cc1OC(F)F 506661893 JWZGDEHMGYCIJJ-UHFFFAOYSA-N 432.427 4.461 5 20 IIBD O=C(c1ccc(N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1)N1CCOCC1 507030277 QAHJLLTYYKJUKI-CRAIPNDOSA-N 435.402 4.054 5 20 IIBD COC(=O)Cc1sc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)nc1-c1ccccc1 507536636 SNAVNFKNILUURE-UHFFFAOYSA-N 437.433 4.432 5 20 IIBD Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCCN1Cc1c(F)cc([N+](=O)[O-])cc1F 509007480 QBRLISHTANZRAE-NRFANRHFSA-N 446.429 4.388 5 20 IIBD CCCNC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1Cl 511231149 DKMLHOGDVUZXNZ-UHFFFAOYSA-N 446.312 4.151 5 20 IIBD CN(CCOc1ccc(Cl)cc1)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 511803067 WIMGJPPZQLXEAB-UHFFFAOYSA-N 432.782 4.340 5 20 IIBD COc1ccc([C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c2ccc(F)cc2)cc1 511996258 GOZJEWBLZMUNOZ-NRFANRHFSA-N 430.457 4.119 5 20 IIBD CNC(=O)c1ccc(NC[C@H](c2ccccc2)N2CCc3sccc3C2)c([N+](=O)[O-])c1 512709145 YKNNHLZECXHCJB-OAQYLSRUSA-N 436.537 4.227 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccnn1Cc1ccccc1Br 515603125 YXNWNEUMMICHSO-UHFFFAOYSA-N 445.273 4.010 5 20 IIBD Cn1c([C@@H]2CCCCN2C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)nc2ccccc21 517755783 ATWOUCSHFGSRFA-NRFANRHFSA-N 433.512 4.449 5 20 IIBD Cc1sc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])nc1-c1ccc(Cl)cc1 519889660 CUJFDXJYMZNHPF-UHFFFAOYSA-N 441.893 4.298 5 20 IIBD CCOc1cc(NC(=O)NCc2coc(-c3cccs3)n2)c([N+](=O)[O-])cc1OCC 520384701 LPNDKPBLZRZERR-UHFFFAOYSA-N 432.458 4.430 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCc2ccccc2CC1 522894015 FLQSQLUTWQLPCX-UHFFFAOYSA-N 431.279 4.328 5 20 IIBD O=C(NCC(=O)N1CCCCC1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 524406635 RJQCELCUVHGLOL-UHFFFAOYSA-N 433.917 4.142 5 20 IIBD CC(C)(C)n1cc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)c(-c2ccc(F)cc2F)n1 525133488 PSOGIBOXBIRMNB-UHFFFAOYSA-N 444.438 4.300 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(c2nc3cc(Cl)ccc3o2)CC1 533029532 URIGKTQAUZGQBA-UHFFFAOYSA-N 444.875 4.216 5 20 IIBD O=C(c1cc(I)cc([N+](=O)[O-])c1)N(CC1CCC1)CC(F)(F)F 535028586 AWNCGLPAHTZFLL-UHFFFAOYSA-N 442.175 4.004 5 20 IIBD O=C(Nc1cccc2c1CN(c1ccccn1)C2)C1CCN(c2ccccc2[N+](=O)[O-])CC1 535292361 GCKXTULLYXHLBI-UHFFFAOYSA-N 443.507 4.365 5 20 IIBD O=C(c1nc2ccccc2s1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 535754002 HNKHKEFQGHKPHQ-UHFFFAOYSA-N 436.415 4.186 5 20 IIBD O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CCCc2c(F)ccc(F)c21 536581546 DXGFSZJDHAQLBJ-UHFFFAOYSA-N 444.175 4.071 5 20 IIBD CCc1nc2ccccc2n1C1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 540059394 IDBSOSWHWVTYDG-UHFFFAOYSA-N 435.528 4.481 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1OC 541025849 CZNUZEVWICFRPJ-RDJZCZTQSA-N 443.548 4.403 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCC1CCN(Cc2cccs2)CC1 541424996 JOOBNBCDEFCRJJ-UHFFFAOYSA-N 439.990 4.430 5 20 IIBD O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1C(F)(F)F 542000929 YNCICSBDSWKEEK-UHFFFAOYSA-N 431.211 4.238 5 20 IIBD C[C@@H](NC(=O)NCCc1c[nH]c2ccc(Br)cc12)c1cccc([N+](=O)[O-])c1 542274506 KZDJTULDAFBRMT-GFCCVEGCSA-N 431.290 4.442 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCCCC[C@H]2c2ncon2)cc1[N+](=O)[O-])c1ccccn1 543418158 BLUYVHLLFQYXIW-BEFAXECRSA-N 436.472 4.303 5 20 IIBD Cc1cc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)ccc1-n1nnnc1C(C)C 545119228 IIMZASMSXNVADF-UHFFFAOYSA-N 426.452 4.058 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N[C@@H](c2ccc(Cl)cc2)c2ccn(C)n2)cc1[N+](=O)[O-] 545160649 WVADUZJFAOPKBN-XOBRGWDASA-N 427.892 4.440 5 20 IIBD COc1cc(CNc2cc(Br)ccc2CO)c([N+](=O)[O-])cc1OCC(F)F 546698860 MOXPVZPPUXYLBW-UHFFFAOYSA-N 447.232 4.114 5 20 IIBD Cc1nn(C)c2nc(-c3ccccc3)cc(-c3nc(-c4ccc(N)c([N+](=O)[O-])c4)no3)c12 546965962 ALHVRRXXNQFSRY-UHFFFAOYSA-N 427.424 4.151 5 20 IIBD CC(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 549834347 AMVZVMHRCBVNNG-UHFFFAOYSA-N 435.488 4.294 5 20 IIBD CS(=O)(=O)c1ccc(N[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)c([N+](=O)[O-])c1 553261263 UVXFZJKUIJMKGC-KRWDZBQOSA-N 430.404 4.460 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(Oc3cccnc3)cc2)cc1[N+](=O)[O-] 574788800 DSYPFXCGFHPCCF-UHFFFAOYSA-N 448.464 4.314 5 20 IIBD COc1cnc(N(C)C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)nc1 579035271 GWEKWSJENQGNQP-UHFFFAOYSA-N 430.873 4.475 5 20 IIBD Cc1ccccc1[C@@H](C)N(CC(C)C)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 588839301 PLHNXZREHWMLHU-MRXNPFEDSA-N 429.542 4.340 5 20 IIBD Cc1c(NC(=O)[C@H](C)Sc2nc3cc(Br)cnc3[nH]2)cccc1[N+](=O)[O-] 596044322 ATAKANOHUKDSLJ-VIFPVBQESA-N 436.291 4.056 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ncc(Cc2cc(F)cc(F)c2)s1 603492487 BRFRYFYFGVKOLB-UHFFFAOYSA-N 445.856 4.375 5 20 IIBD COc1cc(CN(C)C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc(OC)c1 603520438 KYPCATNRWYQOBF-UHFFFAOYSA-N 427.501 4.121 5 20 IIBD COc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cc(OC)c1OC 603732462 LUYPWVOVBMFCHU-UHFFFAOYSA-N 438.436 4.343 5 20 IIBD O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1C(F)(F)F)c1csc([N+](=O)[O-])c1 603761937 MLXGPPMPXJANQF-CYBMUJFWSA-N 429.376 4.045 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(OCc2cccc(F)c2)c1 603998686 CAFMJOGJNSHZGL-UHFFFAOYSA-N 437.427 4.072 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 608880036 PDYKYQZHWFYLGY-AUUYWEPGSA-N 449.429 4.486 5 20 IIBD COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(OC)c([N+](=O)[O-])c2)c(OC)c1 609315888 PZETZHQXSCVFRN-JOCHJYFZSA-N 435.436 4.392 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2cccnc2Oc2ccccc2)no1 609475354 QOMVOPPPBIWAEQ-AWEZNQCLSA-N 431.408 4.323 5 20 IIBD COc1cc(C(=O)N(CCC(=O)O)C2CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 610844305 GMTGAYHTJYDAKG-UHFFFAOYSA-N 434.832 4.128 5 20 IIBD Cc1nc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)sc1Cc1ccccc1 611445649 AESRUEDBWANEAW-UHFFFAOYSA-N 438.509 4.039 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 614937735 KARXDBMKWZHGOD-UHFFFAOYSA-N 445.273 4.437 5 20 IIBD CCOc1cc2c(cc1OCC)CN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])CC2 727306211 HDYSNBXTQBHECI-UHFFFAOYSA-N 433.892 4.042 5 20 IIBD CSCCc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2I)cc1 727670075 AGCZWEDZWIVTLS-UHFFFAOYSA-N 442.278 4.357 5 20 IIBD Cc1c(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)nnn1-c1cccc([N+](=O)[O-])c1 727805396 XRPIDRGBDAVOHU-UHFFFAOYSA-N 438.444 4.083 5 20 IIBD CCNc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)Cc3ccccc32)cc1[N+](=O)[O-] 728005844 ZHWXDYJCMJLICO-UHFFFAOYSA-N 440.500 4.424 5 20 IIBD Cc1c(C(=O)N2CCC[C@@H]2c2ccccc2C(F)(F)F)nnn1-c1cccc([N+](=O)[O-])c1 728034843 HHZIDOCAQFNOMT-GOSISDBHSA-N 445.401 4.480 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1 730074010 IZOMMHVCPWQASQ-IBGZPJMESA-N 433.436 4.455 5 20 IIBD CC1CCN(c2ccc(NC(=O)CCC(=O)N(C)Cc3ccccc3[N+](=O)[O-])cc2)CC1 730277083 JWYZOSHSTSUALP-UHFFFAOYSA-N 438.528 4.208 5 20 IIBD O=C(COC(=O)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1)Nc1ccccc1[N+](=O)[O-] 730625561 UMMSUZIYPBJNFL-NRFANRHFSA-N 442.374 4.175 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1(c2ccccc2Cl)CCOCC1 730648827 ITJOHXBHAYADBA-UHFFFAOYSA-N 443.843 4.090 5 20 IIBD O=C(N[C@H]1CCN(C2CC2)C1)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 730773943 MUWUMPGYSYEHSQ-NRFANRHFSA-N 448.567 4.020 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1 731181475 SCLNGIWARVKMMN-UHFFFAOYSA-N 439.259 4.473 5 20 IIBD CCN1C(=S)N[C@H](c2cc([N+](=O)[O-])c(F)cc2F)C(C(=O)Nc2ccccc2C)=C1C 731422184 URQPCAVZYNIMGF-LJQANCHMSA-N 446.479 4.345 5 20 IIBD O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cnc(-c2ccccc2Cl)s1 731517378 WDJKSXFHXMNDRO-MRXNPFEDSA-N 443.868 4.334 5 20 IIBD O=[N+]([O-])c1ccc2cnn(Cc3nc(-c4ccc(OCc5cccnc5)cc4)no3)c2c1 731802545 IJHJRSKBAHRSEF-UHFFFAOYSA-N 428.408 4.017 5 20 IIBD CC[C@@H](Nc1ccccc1)C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 733503527 HFWJZDMIRUNSKP-BLLLJJGKSA-N 439.390 4.375 5 20 IIBD Cc1cccc(COc2cccc(CC(=O)OCC(=O)Nc3ccccc3[N+](=O)[O-])c2)c1 733550105 ZORBQLNOYBXPDV-UHFFFAOYSA-N 434.448 4.207 5 20 IIBD CC(C)OC(=O)NCc1ccc(NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 735173132 QNSVANQDOVZSDV-UHFFFAOYSA-N 438.387 4.475 5 20 IIBD COc1ccc([C@H]2[C@H](COC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC(=O)N2C)cc1 735781865 LHUOPTCUANZORY-BTYIYWSLSA-N 440.477 4.195 5 20 IIBD O=C(OCc1nc(-c2ccc(Br)s2)no1)c1cc(Cl)cc([N+](=O)[O-])c1 736873533 DSFJYMLKESIWTB-UHFFFAOYSA-N 444.650 4.479 5 20 IIBD O=C(CCC(=O)c1ccc(F)cc1F)OCc1ccc([N+](=O)[O-])cc1Br 740581705 SRAAKOBRSYCHPH-UHFFFAOYSA-N 428.185 4.342 5 20 IIBD COc1ccccc1N(CCCSC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 742348438 FSBQEGDJRWQBHJ-UHFFFAOYSA-N 430.935 4.205 5 20 IIBD C[C@H](NC(=O)N1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 743323364 PCLXCTJKOLUCHN-JXFKEZNVSA-N 446.548 4.477 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1c2ccccc2N(C(=O)OC(C)(C)C)C[C@H]1C 743346065 PZOICGAMYZVCCU-OAHLLOKOSA-N 447.513 4.242 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)ccc1[N+](=O)[O-] 744202186 XQDOLIJWTGELTQ-UHFFFAOYSA-N 429.429 4.036 5 20 IIBD Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)O[C@@H](C)C(=O)NCCC(C)C)n1 744500200 JTYANEUJXLMBIC-ZDUSSCGKSA-N 437.543 4.219 5 20 IIBD C[C@H](c1nc2ccccc2s1)[C@@H](C)OC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 749215805 ABZWMQHGQTUSOH-NWDGAFQWSA-N 445.522 4.131 5 20 IIBD COc1ccccc1O[C@@H](C)CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 749436135 LFJSAMXCMGBWTN-JTQLQIEISA-N 443.681 4.217 5 20 IIBD O=C(COC(=O)c1cc(F)c(F)cc1Br)Nc1ccc(Cl)c([N+](=O)[O-])c1 750177693 BONPDKNLOFKIDF-UHFFFAOYSA-N 449.591 4.084 5 20 IIBD CC(C)Sc1ccc([C@@H](C)NC(=O)c2c3c(cc([N+](=O)[O-])c2[N+](=O)[O-])OCCO3)cc1 751267593 CANKEBURADCKBB-GFCCVEGCSA-N 447.469 4.266 5 20 IIBD COc1ccc(-c2nc(C(=O)OCc3nc4cc([N+](=O)[O-])ccc4o3)cs2)cc1OC 751630937 CTTCDISSTQQXJP-UHFFFAOYSA-N 441.421 4.234 5 20 IIBD C[C@@H](OC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1F 751633125 CSOPBMWYLPNJEF-SECBINFHSA-N 430.816 4.189 5 20 IIBD CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)c1 752981224 NGWCAFVTOSKVCM-UHFFFAOYSA-N 445.884 4.326 5 20 IIBD COc1c([N+](=O)[O-])cc(NCc2csc([C@H](C)OC)n2)c([N+](=O)[O-])c1Br 753118710 LVQROOAOUGGIPG-ZETCQYMHSA-N 447.267 4.050 5 20 IIBD CC(C)(C)OC(=O)CCCCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 755017696 FCYAWRAAEZIXDG-UHFFFAOYSA-N 433.274 4.128 5 20 IIBD C[C@H](OC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1nc2cc(Br)cnc2[nH]1 755665915 SVZKFHSVESFJHC-IUCAKERBSA-N 437.225 4.176 5 20 IIBD C[C@H](CSc1ccc(F)cc1)C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 756712717 DXBYHPWIQIGGNI-LLVKDONJSA-N 426.853 4.297 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N(Cc1ccccc1)C[C@H](O)c1ccsc1 757082995 UPDGVRNNDDCPCU-QFIPXVFZSA-N 448.504 4.218 5 20 IIBD COc1ccccc1-c1nc(C(=O)O[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cs1 759945181 GTDVOVLDEXKBLJ-NVXWUHKLSA-N 428.470 4.264 5 20 IIBD CC(C)(C)OC(=O)NCCCOC1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 761515932 WRHZXURRMVMIHN-UHFFFAOYSA-N 427.929 4.144 5 20 IIBD Cn1cnc(-c2ccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3Cl)cc2)n1 762658046 LKLUGCISXJJJHL-UHFFFAOYSA-N 436.653 4.059 5 20 IIBD COc1cc(C(=O)OC[C@H]2CC3(CC3)C(=O)O2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 763078635 DYMSWASLQPZSGT-CQSZACIVSA-N 447.827 4.302 5 20 IIBD CCOc1ccc(-c2nc(COC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)co2)cc1 763870530 RXUUNMAFIBTYQU-UHFFFAOYSA-N 434.408 4.191 5 20 IIBD Cc1cc(CN(CC(C)C)C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)nc(N2CCCCC2)n1 764558640 OHOFOAZUHBQZBM-XFXZXTDPSA-N 437.544 4.382 5 20 IIBD COc1ccc2c(c1)[C@H](OC(=O)c1ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc1)CCO2 765119767 IHGYLGCFFKMNHU-OAQYLSRUSA-N 437.452 4.146 5 20 IIBD CCN([C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 765167531 MGDODSFUINCYMJ-NSHDSACASA-N 431.283 4.268 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(N2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cc1Cl 765521403 XWMNMISXXFQMDZ-OLZOCXBDSA-N 439.896 4.013 5 20 IIBD COc1cc(COC(=O)c2ccccc2N(C)C(=O)c2cccs2)c([N+](=O)[O-])cc1F 766171837 KYHOPPJUQHNPSI-UHFFFAOYSA-N 444.440 4.438 5 20 IIBD COc1cc(COC(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)c([N+](=O)[O-])cc1F 766207853 ASNBXZRJIKNAIG-UHFFFAOYSA-N 446.309 4.210 5 20 IIBD COc1cccc(C(=O)N(C)c2ccccc2C(=O)N(C)CCc2ccccc2)c1[N+](=O)[O-] 766711668 UCSDKQPHWQTYBI-UHFFFAOYSA-N 447.491 4.195 5 20 IIBD O=C(COC(=O)CSc1nccc2ccccc12)Nc1ccc(Cl)cc1[N+](=O)[O-] 767419428 FFSUTPAZTFUERV-UHFFFAOYSA-N 431.857 4.070 5 20 IIBD O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)OCc1ccc([N+](=O)[O-])cc1 767506652 CBAIYIRLOKWVAB-UHFFFAOYSA-N 447.476 4.073 5 20 IIBD Cc1sc(S(=O)(=O)Oc2cccc(CNC(=O)Nc3ccccc3)c2)cc1[N+](=O)[O-] 767601456 SENDFVQXPBLJEY-UHFFFAOYSA-N 447.494 4.054 5 20 IIBD COc1cccc(-c2nc(COC(=O)c3cccc(OC)c3[N+](=O)[O-])cs2)c1OC 769580887 UJQJOEUADPWXRZ-UHFFFAOYSA-N 430.438 4.101 5 20 IIBD CCNC(=O)c1ccc(Cl)cc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 770512797 OTWVZEFQWFVBRD-UHFFFAOYSA-N 426.654 4.013 5 20 IIBD CN(CCC1CCN(c2ccncc2)CC1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 770776209 HDNPTBSFKYJUHB-UHFFFAOYSA-N 431.924 4.091 5 20 IIBD Cc1nc(NCC(=O)NCc2ccccc2[N+](=O)[O-])c2cc(-c3ccccc3)sc2n1 770846430 DSMVAURFBQOEJJ-UHFFFAOYSA-N 433.493 4.303 5 20 IIBD Cc1ccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(Br)n1 771502284 YXWSFKMSBQWZCB-UHFFFAOYSA-N 435.278 4.136 5 20 IIBD CCCN(C(=O)c1ccccc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C 771515210 TYHNNSFFSQULKO-UHFFFAOYSA-N 435.484 4.293 5 20 IIBD Cc1cccc(-c2nc(C)c(C(=O)OCC3CCN(c4ccc([N+](=O)[O-])cn4)CC3)[nH]2)c1 772654181 ZBFDGKVOXYQXBG-UHFFFAOYSA-N 435.484 4.070 5 20 IIBD CC[C@H](OC(=O)c1sc(Br)cc1[N+](=O)[O-])C(=O)Nc1ccc(OC)cc1 773604528 VOVJVWFUXPXTKF-LBPRGKRZSA-N 443.275 4.002 5 20 IIBD COc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c([N+](=O)[O-])c2)c2nccs2)cc1 775684903 VZKPFGDQCGECBB-UHFFFAOYSA-N 439.902 4.109 5 20 IIBD C[C@@H]1C[C@@H](C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCO1 776413426 RMTTWOKMENZIGR-FRIZHTMISA-N 432.860 4.286 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(Cn2ccnc2[C@H](O)c2ccccc2)cc1OC 777523465 NNGUINFKEDCDPD-OPAMFIHVSA-N 425.485 4.355 5 20 IIBD Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)c1cc([N+](=O)[O-])c2nsnc2c1 778257855 UPJNOAWKCNRHSS-QGZVFWFLSA-N 434.481 4.282 5 20 IIBD O=C(Cc1csc(Cc2ccccc2)n1)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 778812864 FLZUDNVFBQRHJE-GOSISDBHSA-N 441.484 4.146 5 20 IIBD Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)OC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781739501 JZJSEFYPOPNASV-OAHLLOKOSA-N 443.456 4.438 5 20 IIBD Cc1cc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nn1-c1ccccc1Cl 781833282 DMGFJJNHESUMIY-UHFFFAOYSA-N 429.820 4.222 5 20 IIBD O=C(NCC1CCN(Cc2cccs2)CC1)c1cccc([N+](=O)[O-])c1Br 782166602 JUZCMHYSOOQTCE-UHFFFAOYSA-N 438.347 4.061 5 20 IIBD O=C(NC1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1)Oc1ccccc1 783955249 BIAAHBKKFAYQPR-UHFFFAOYSA-N 449.916 4.120 5 20 IIBD Nn1c(SCc2nc3ccc([N+](=O)[O-])cc3[nH]2)nnc1-c1cc(Cl)ccc1Cl 788805519 MWVRNBAOTCQYMZ-UHFFFAOYSA-N 436.284 4.043 5 20 IIBD Cc1cnc(COC(=O)c2cc(Br)ccc2Br)c(C)c1[N+](=O)[O-] 789438267 PJPCXHBULZEFOX-UHFFFAOYSA-N 444.079 4.489 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(Oc3ccccc3)nc2)c(C)c1[N+](=O)[O-] 790393586 JLOVZSXDNRZJJI-UHFFFAOYSA-N 444.425 4.108 5 20 IIBD COc1cccc([C@@H](C)NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c1 790672591 KZYWUWKHUFBOHG-GFCCVEGCSA-N 434.290 4.195 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N[C@H]1CCOc2c1ccc(Cl)c2Cl 792691456 MTGGHTCFWYFFHO-AWEZNQCLSA-N 440.239 4.382 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3c[nH]c(C(F)(F)F)c3)CC2)ccc1[N+](=O)[O-] 796911870 QNYORXFRYYRLEM-UHFFFAOYSA-N 427.379 4.166 5 20 IIBD Cn1ncc2c1C[C@@H](C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1OCc1ccccc1)CC2 798358344 OQQAMWPXICXVRB-HNNXBMFYSA-N 440.887 4.304 5 20 IIBD O=[N+]([O-])c1cc(F)ccc1OS(=O)(=O)c1cc(C(F)(F)F)ccc1Br 798434558 JAZLBEYYZYUKRU-UHFFFAOYSA-N 444.156 4.283 5 20 IIBD CON(CC1CCOCC1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 801603682 GEFISRIJRNLKDE-FQEVSTJZSA-N 433.892 4.218 5 20 IIBD CN(C(=O)OC(C)(C)C)C1(COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 806056695 CSDDZRFMTPQQEV-UHFFFAOYSA-N 436.508 4.097 5 20 IIBD CCC[C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)c1ccccn1 806768181 XJFORWXYIOTMPH-INIZCTEOSA-N 436.434 4.241 5 20 IIBD O=C(NC1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1)Oc1ccccc1 812967556 JGSVWRRPHWMATM-UHFFFAOYSA-N 438.267 4.295 5 20 IIBD O=C(COC(=O)c1cc(-c2ccccc2C(F)(F)F)on1)Nc1cccc([N+](=O)[O-])c1 812971204 YIHDXBOWTNSNGK-UHFFFAOYSA-N 435.314 4.064 5 20 IIBD CC(C)NC(=O)c1ccc(N[C@@H](C)c2ccc(N3CCCOC3=O)cc2)c([N+](=O)[O-])c1 814263882 SFHAEELZRWDJOH-HNNXBMFYSA-N 426.473 4.253 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F 816867258 KLWIALFRTAVNMR-AWEZNQCLSA-N 443.422 4.133 5 20 IIBD C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 816996180 JQWDLLKENHSJRA-XIKOKIGWSA-N 442.365 4.120 5 20 IIBD CN(C)C(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)ccc1Cl 915177863 HRPBJQRYVKGQSZ-UHFFFAOYSA-N 430.892 4.193 5 20 IIBD COc1ccc2[nH]cc(CC(=O)N(Cc3nnc(-c4cccc([N+](=O)[O-])c4)o3)C(C)C)c2c1 915281053 JHPXHSFXVSCNGT-UHFFFAOYSA-N 449.467 4.114 5 20 IIBD CCc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 917258453 UCKRVCGWGKCRFT-GFCCVEGCSA-N 440.374 4.282 5 20 IIBD O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1ccc(Br)c([N+](=O)[O-])c1 917779382 VVGZRQJCTCDJKL-UHFFFAOYSA-N 432.274 4.236 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2cc(-c3ccoc3)[nH]n2)c2ccccc2)c([N+](=O)[O-])c1 919328384 FMCXWFVNVSCQAD-NRFANRHFSA-N 446.419 4.423 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cc2c(OC(F)(F)F)cccc2[nH]1 1321928628 BLCZNCDHZJMKDE-UHFFFAOYSA-N 437.330 4.079 5 20 IIBD C[C@@H](COc1ccccc1F)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 1325960777 NFIDJGITDDBMTO-LBPRGKRZSA-N 426.394 4.296 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3ccc(-c4nnco4)cc3)cc2[N+](=O)[O-])C1 1344028377 UCZAXKRENGRFBB-IYBDPMFKSA-N 435.484 4.057 5 20 IIBD O=C(Cn1ccc2ccc([N+](=O)[O-])cc21)Nc1ccc(C2(NC(=O)C3CC3)CCC2)cc1 1786276976 VBUKQUMFXASPKJ-UHFFFAOYSA-N 432.480 4.094 5 20 IIBD COC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])CCC2)cc1 1786443459 WPVHGPSWOBILFT-MSGBMKDASA-N 437.496 4.025 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3cc(F)ccc3F)cc2)CCC1)c1ccc([N+](=O)[O-])[nH]1 1790218081 AZCWBIBEYPZILS-UHFFFAOYSA-N 440.406 4.263 5 20 IIBD Cc1cccc(C)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(F)ccc([N+](=O)[O-])c1C 1800699641 ACOZAFDTAJZLEL-BCDXTJNWSA-N 439.487 4.225 5 20 IIBD O=C(c1cccs1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830492967 DASZGHZMKBNOKG-IBGZPJMESA-N 445.516 4.343 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)C23CC(C2)C3)CC1 1832474195 NFXIKXVVJNXFKI-HYSRAYMDSA-N 443.519 4.076 5 20 IIBD COc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C(C)C)CC2)ccc1[N+](=O)[O-] 1832513188 RJUABYYOOGIPSW-OSICKASQSA-N 443.544 4.049 5 20 IIBD Cc1cccc(-c2nnc(COC(=O)Cn3c4ccccc4c(=O)c4ccccc43)o2)c1 10723248 SHNPMKWENHCJBW-UHFFFAOYSA-N 425.444 4.257 5 20 IIBD C[C@@H](Sc1ncn(-c2ccccc2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 11941182 VYSKDWFDEZALGV-LLVKDONJSA-N 437.403 4.314 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 22555831 VCXHMTYCNUTXIM-UHFFFAOYSA-N 449.341 4.476 5 20 IIBD O=C(NCc1ccc(Cl)s1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 26168635 YAJZPWHJNFMCSZ-UHFFFAOYSA-N 448.854 4.360 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCc1csc(-c2ccsc2)n1 28142559 GCWDJZNHNFAICL-UHFFFAOYSA-N 445.478 4.211 5 20 IIBD CC(C)c1noc(COC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 29141406 RNUZMJRWXPJZOC-UHFFFAOYSA-N 442.394 4.080 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)cc([N+](=O)[O-])c1 29168870 BHLLBNXGSHNKSR-UHFFFAOYSA-N 441.465 4.464 5 20 IIBD CCOc1ccc(C(=O)NCc2cccc(Cn3cnc4ccccc43)c2)cc1[N+](=O)[O-] 63677576 XYZPGDZUPDSWBG-UHFFFAOYSA-N 430.464 4.322 5 20 IIBD CCCCOc1ccc(CCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 71931022 YREGUZRDIHDTED-UHFFFAOYSA-N 425.529 4.349 5 20 IIBD CNC(=O)c1ccc(Sc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)c([N+](=O)[O-])c1 72018789 AAXWLPYYGJZBOO-QGZVFWFLSA-N 438.509 4.148 5 20 IIBD CCc1ccc([C@H]2CCCCCN2C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])o1 97593369 JEKSQZQDPPHNFY-MRXNPFEDSA-N 431.514 4.085 5 20 IIBD O=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 108851578 XGKWFDGSICHONC-UHFFFAOYSA-N 428.452 4.233 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N1CCC(C2OCCO2)CC1 110456797 QRNUWGZDEDGDQT-HXUWFJFHSA-N 445.903 4.013 5 20 IIBD O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3csc(COc4ccc(Cl)cc4)n3)C2)nc1 237723034 QAZHTYXNTLDVOD-HNNXBMFYSA-N 445.932 4.365 5 20 IIBD Cc1cc(NCc2cccc(NC(=O)[C@H]3CCCO3)c2)c(Br)cc1[N+](=O)[O-] 302716529 YKCZKVXLZAWYEF-GOSISDBHSA-N 434.290 4.395 5 20 IIBD Cc1cc(Nc2ccc(Cc3nnc4n3CCC4)cc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 302739927 YRKQNTMIQKSPGI-UHFFFAOYSA-N 427.468 4.232 5 20 IIBD O=C(N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1ccc([N+](=O)[O-])cc1Cl 303561905 XMMRIFKCHZTQKP-AWEZNQCLSA-N 426.275 4.435 5 20 IIBD CC[C@H](C(=O)N1CCC(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 409565068 HMKYIFOUXIHZEG-JTSKRJEESA-N 438.528 4.140 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccnc(N2CCCCCC2)c1 410316578 OKFXTRZTFGLBLY-OAHLLOKOSA-N 432.908 4.107 5 20 IIBD Cc1ccc(CNC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(O[C@@H](C)CC(C)C)c1 426017575 CNWWJHJUQPNOKZ-SFHVURJKSA-N 443.548 4.460 5 20 IIBD CC[C@@H](NC(=O)c1ccc(C(=O)N[C@H](CC)c2ccncc2)c([N+](=O)[O-])c1)c1ccncc1 426779557 JABWITVXEKNXDI-NHCUHLMSSA-N 447.495 4.147 5 20 IIBD CCOc1ccc(C2(CNC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])CCOCC2)cc1 429894620 DUOVCFPZNGONBW-UHFFFAOYSA-N 426.513 4.136 5 20 IIBD Cc1cccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1C(=O)N1CCCC1 429955002 YIFMPOFGHIPDPM-UHFFFAOYSA-N 432.274 4.154 5 20 IIBD O=C(NCc1ccc2c(c1)COC2)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 431893681 HWRPAKQHXFDBQW-UHFFFAOYSA-N 449.429 4.177 5 20 IIBD CCCc1ccc([C@H](NC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)C(C)C)cc1 435642801 YHLXSLVDLQRXEJ-HSZRJFAPSA-N 437.496 4.328 5 20 IIBD CC(C)c1cnc(-c2ccc(NC(=O)c3ccc(N4C(=O)CCC4=O)c([N+](=O)[O-])c3)cc2)o1 435856358 NFDNUFNJAMRRKU-UHFFFAOYSA-N 448.435 4.279 5 20 IIBD O=C(NCc1ccc(N2CCCCC2)nc1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436063931 FFWFSDJGVGZNRZ-UHFFFAOYSA-N 448.473 4.275 5 20 IIBD Cc1c(Cl)cccc1NC(=O)CCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 436359465 KDHALECUBVMPIN-UHFFFAOYSA-N 433.895 4.402 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N(CCc1ccccc1)[C@@H]1CCOC1 437969106 KVURMDFKUDNDHC-MRXNPFEDSA-N 438.402 4.010 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 438788483 VBLDHZJHRAWMRZ-UHFFFAOYSA-N 439.209 4.485 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCC[C@H]1c1ncc(-c2ccccc2)[nH]1 439207361 TYWKOAXSQKDEEM-IBGZPJMESA-N 426.498 4.209 5 20 IIBD CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])CC2 442717026 RQTSRJPKVXOLFT-SFTDATJTSA-N 442.537 4.138 5 20 IIBD CC(C)CCc1nc(CS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cs1 443209158 RNHFWOKAMQTADK-UHFFFAOYSA-N 433.349 4.376 5 20 IIBD COc1cc(F)c([C@@H](C)NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1OC 444036772 YRNFJYOCHKUONX-GFCCVEGCSA-N 438.430 4.468 5 20 IIBD Cn1cc(-c2cccc(CNC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)c2)cn1 444292257 UEUVQHKSMGQXSX-UHFFFAOYSA-N 444.441 4.290 5 20 IIBD O=C(Cc1noc(-c2cc3cc([N+](=O)[O-])ccc3o2)n1)Nc1nc(-c2ccncc2)cs1 445430127 FGXCHFOBTWDHPZ-UHFFFAOYSA-N 448.420 4.091 5 20 IIBD O=C(Cc1noc([C@@H]2CC[C@@H]3CCCC[C@H]3C2)n1)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 445489770 GGUNFUQPIMEMRF-SOUVJXGZSA-N 442.472 4.004 5 20 IIBD O=C(Cc1noc([C@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)n1)NCc1ccc([N+](=O)[O-])cc1 445714559 SSZSGIAHTUSUIY-SJORKVTESA-N 446.385 4.127 5 20 IIBD COc1cc(Cc2noc(-c3cc4c(OC(F)F)cccc4[nH]3)n2)c([N+](=O)[O-])c(OC)c1 445815442 KRNINRYIEHIAHU-UHFFFAOYSA-N 446.366 4.336 5 20 IIBD COc1cc(OCC(=O)Nc2cc(Cl)c(C)cc2Br)ccc1[N+](=O)[O-] 445969315 OVVGRUZAWFWIQO-UHFFFAOYSA-N 429.654 4.345 5 20 IIBD COc1ccccc1-c1csc([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)C2)n1 446783080 DOKWFLHSZLDNBB-HNNXBMFYSA-N 439.493 4.452 5 20 IIBD O=C(NCc1ccc(OCc2ccccc2F)cc1)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 446898308 KNAVETUQDKIMMF-UHFFFAOYSA-N 449.442 4.189 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)N1CCc2ccc([N+](=O)[O-])cc2C1 446911619 TYXQFBRJSUAEIL-SFHVURJKSA-N 431.876 4.396 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Br)cn3)no2)c(Br)c1 460835534 KMRLKWNXGBKEPE-UHFFFAOYSA-N 426.024 4.232 5 20 IIBD COc1cccc([C@H]2CCCN2c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCCO2)c1 461134889 WOMZEXFGSXHGRJ-FCHUYYIVSA-N 449.511 4.382 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc(OCC(F)F)c2ccccc12 462434869 CQMVLHOIIQOWHX-UHFFFAOYSA-N 436.436 4.213 5 20 IIBD CC(C)CN(C(=O)[C@H]1CCc2cnn(C)c2C1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 462843974 HFNYDHMENZVNOA-HNNXBMFYSA-N 439.541 4.246 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NC1(c2cccc(C(F)(F)F)c2)CCC1 465161546 AAHREZDSLUTHCG-UHFFFAOYSA-N 436.386 4.123 5 20 IIBD CCN(CC)Cc1ccc(CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 465624102 GMRYRHCMAUQSAK-UHFFFAOYSA-N 440.544 4.190 5 20 IIBD Cc1sc(S(=O)(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)cc1[N+](=O)[O-] 466974116 QTCHOLDLOMHHRE-UHFFFAOYSA-N 437.543 4.170 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1nc(-c2ccc(F)c(Cl)c2)cs1 466993953 VBWVQUZCHUFTKH-UHFFFAOYSA-N 449.847 4.463 5 20 IIBD CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H](C(N)=O)c1cccc(Br)c1 468482728 FWLIWODMCBRDJF-LJQANCHMSA-N 444.285 4.276 5 20 IIBD CCOC(=O)c1ccc2c(c1)CCCN2C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] 469075948 SERNQYXUYJZBJI-UHFFFAOYSA-N 430.482 4.095 5 20 IIBD CCOc1cc(C(=O)N[C@H](C)c2ccc(OCC3CC3)c(F)c2)c([N+](=O)[O-])cc1OC 469426199 LJQSNDDUSMZVDM-CYBMUJFWSA-N 432.448 4.421 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1 470847664 HHFUGZZMQDQYGX-UHFFFAOYSA-N 433.464 4.218 5 20 IIBD COC(=O)c1cc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCCC2)cc([N+](=O)[O-])c1 476870910 IETINTLHGCMKQN-UHFFFAOYSA-N 440.452 4.085 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3F)CC2)ccc1[N+](=O)[O-] 477360539 ZCOCCJCHWMUPQW-UHFFFAOYSA-N 441.381 4.114 5 20 IIBD Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 477487394 VQKYFLLDEHIIHA-UHFFFAOYSA-N 430.892 4.157 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(OCC(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)n1 479152596 ARNAVYXXXHKKJE-HXUWFJFHSA-N 444.491 4.415 5 20 IIBD CCOc1cc(C(=O)N[C@H](CCc2ccccc2)C(F)(F)F)c([N+](=O)[O-])cc1OC 479761731 ZUOMHWTWPMLSSU-GOSISDBHSA-N 426.391 4.296 5 20 IIBD CS(=O)(=O)c1cccc(Nc2ccc(N3CCCCC3)c3ncccc23)c1[N+](=O)[O-] 480562189 HOAFVESVEARZNZ-UHFFFAOYSA-N 426.498 4.280 5 20 IIBD COc1ccccc1CN(C[C@H]1CCCO1)C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] 482963802 NOOQOEZEZUBUFE-MRXNPFEDSA-N 446.525 4.155 5 20 IIBD O=C(Nc1cc(Cl)ccc1C(=O)N1CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 485378056 JILZZTCLMPNSPB-UHFFFAOYSA-N 442.903 4.337 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1 485964956 GMHDPLYJLKXATH-UWJYYQICSA-N 430.526 4.231 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@@H](C)[C@@H](OC)c2ccc(Cl)cc2)c(C)c([N+](=O)[O-])c1 486875534 WAFQMFDTDXBIAD-KPZWWZAWSA-N 435.864 4.241 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)N[C@H](Cc1ccccc1)c1ccccc1 487899521 SVSGQMVYUOLYRF-OAQYLSRUSA-N 427.460 4.010 5 20 IIBD O=C(Nc1ccc(OCc2ccccc2F)cc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 488362618 DNEZSMJIFJPMQL-UHFFFAOYSA-N 439.447 4.378 5 20 IIBD O=C(Nc1ccc(F)cc1-c1nc(C2CC2)no1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 489903238 YOQULJNYHMEIIT-UHFFFAOYSA-N 434.387 4.099 5 20 IIBD Cn1cc(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2F)c(-c2ccc([N+](=O)[O-])cc2)n1 490911046 MNDDUICSRVEMDL-UHFFFAOYSA-N 440.431 4.342 5 20 IIBD O=C(Nc1ccccc1)Nc1cccc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1 494511307 HJYPQOXABNWTLU-UHFFFAOYSA-N 440.481 4.223 5 20 IIBD O=C(NCc1ccc(Br)cc1Cl)c1cc([N+](=O)[O-])ccc1SCCO 497649870 ZCFCESARNDBJIK-UHFFFAOYSA-N 445.722 4.025 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H](Cn1ccccc1=O)c1ccccc1 499955921 ZKUIDTXGEOFRRM-KRWDZBQOSA-N 443.912 4.060 5 20 IIBD CC(C)(COc1ncccc1C(F)(F)F)NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 502356151 APFINIQUUMJPNL-UHFFFAOYSA-N 437.378 4.006 5 20 IIBD Cc1nccn1CCCN(C)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 503076097 WXNJMCAPUILTAO-NRFANRHFSA-N 441.919 4.455 5 20 IIBD CC(=O)NC(C)(C)c1noc(-c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)n1 504684104 SYCYZZLDGUWCQP-UHFFFAOYSA-N 429.864 4.282 5 20 IIBD O=C(NCCc1cc(C(F)(F)F)ccn1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 506800893 KPNWBNKIIRXWMM-UHFFFAOYSA-N 447.363 4.346 5 20 IIBD O=C(c1c[nH]c2ncccc12)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 508954295 YZQANHQTFOIKNY-UHFFFAOYSA-N 447.520 4.158 5 20 IIBD CCn1c([C@@H]2CCCN2S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])nc2ccccc21 509625413 LYTWHJXWSOOZBR-KRWDZBQOSA-N 434.905 4.144 5 20 IIBD O=C(Nc1ccccc1OC[C@H]1CCCCO1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 509992072 KSAHOQXDSHRDRP-GOSISDBHSA-N 425.485 4.395 5 20 IIBD Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)N(C)C 510509992 FWDGQDDWKCLJOI-XDHUDOTRSA-N 449.555 4.186 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN[C@H](c1c[nH]c2ccccc12)C(F)(F)F 513121856 JXJARGJUNPFVPE-GOSISDBHSA-N 434.374 4.267 5 20 IIBD O=C(NCC1(CO)CC(c2ccccc2)C1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 514595580 KHFKXRBHAQMCTF-UHFFFAOYSA-N 448.469 4.246 5 20 IIBD Cc1cc(C)c(NC(=O)CNC(=O)COc2ccc(-c3ccccc3)cc2[N+](=O)[O-])c(C)c1 516343835 WOFGQVILHHJFKN-UHFFFAOYSA-N 447.491 4.321 5 20 IIBD Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 520465174 WFXOZXMNVFKPJN-UHFFFAOYSA-N 436.512 4.428 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1Oc1ccc(Cl)cc1 522244392 LAYBJPKVYUAOJE-UHFFFAOYSA-N 425.828 4.295 5 20 IIBD C[C@H](Cn1ccnc1)NC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 522767041 HQKOFTXFRHQJPF-CYBMUJFWSA-N 447.854 4.264 5 20 IIBD O=C(NCCCn1ccnc1)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 522770247 PJCCVUZFMIGHIZ-UHFFFAOYSA-N 447.854 4.266 5 20 IIBD C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)CN1CCOCC1 523394184 KQNYNXDDJRIJLH-HNNXBMFYSA-N 449.960 4.098 5 20 IIBD CC[C@@H](C(=O)N1CCC(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 523531858 AZHJQIMCIWBOBD-JOCHJYFZSA-N 437.540 4.173 5 20 IIBD O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 525081259 GBCZPSDWEHOTCY-SFHVURJKSA-N 437.308 4.366 5 20 IIBD CCC(CC)(CC)NC(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 525100271 RARQAYFXWRIXOA-UHFFFAOYSA-N 449.529 4.103 5 20 IIBD O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 532112603 XXASNOPXVLGRFF-UHFFFAOYSA-N 445.324 4.272 5 20 IIBD Cc1cc(NC(=O)c2cc(N3CCCC3=O)ccc2Cl)n(-c2ccc([N+](=O)[O-])cc2)n1 534053983 GPNZLEWCJKSSPO-UHFFFAOYSA-N 439.859 4.121 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2nc3ccccc3s2)CC1 535404618 YMXMIAPCWWSZAM-CYBMUJFWSA-N 445.932 4.007 5 20 IIBD CC(=O)N1CC[C@H](N=c2c([N+](=O)[O-])c[nH]c3ccc(Br)cc23)c2ccccc21 536000649 GFMXZCNTAVMLEI-KRWDZBQOSA-N 441.285 4.237 5 20 IIBD O=C(NCC1CCN(c2ccncc2)CC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 536782249 DILOPNHRQLIYQW-UHFFFAOYSA-N 431.496 4.380 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC=C(c2ccc3c(c2)OCCO3)CC1 540048744 ZZTPCJWLPLNLCR-OAHLLOKOSA-N 434.452 4.266 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1OC 541025846 CZNUZEVWICFRPJ-DOTOQJQBSA-N 443.548 4.403 5 20 IIBD COc1cccc([C@H]2[C@H](c3ccccc3)CCN2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 541331558 QHDZBXLQXLQOCG-UPVQGACJSA-N 431.492 4.433 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 542994412 FIFQZNRXNMCEDC-INIZCTEOSA-N 446.328 4.429 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)CCCc2cc(-c3ccccc3)no2)c1 544660210 GJEILEPBAPTDJK-UHFFFAOYSA-N 429.498 4.120 5 20 IIBD CCO[C@@H]1C[C@@H](NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@]12CCCO2 544709804 JSBPUOCSDXKTPE-VDKIKQQVSA-N 448.523 4.264 5 20 IIBD Cc1cc(C)n(-c2ccc(-c3noc(-c4c([N+](=O)[O-])c(C)nn4C)n3)c(C(F)(F)F)c2)n1 546370673 XRFHZUNJLDONGK-UHFFFAOYSA-N 447.377 4.175 5 20 IIBD Cc1nn(-c2ccccc2)cc1CNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 551261971 LYVWPODKVUWIAV-UHFFFAOYSA-N 429.274 4.090 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@H](C)[C@@H]3OCCc4sccc43)cc2[N+](=O)[O-])CC1 554208957 QVXVMKNSPLWQLG-VFNWGFHPSA-N 429.542 4.325 5 20 IIBD CCN1CCN(c2ccc(Cl)cc2NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC1 554836043 XFTNXMIIGCQXIN-UHFFFAOYSA-N 445.951 4.097 5 20 IIBD COc1cc(F)c([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1OC 565143657 OGXURTVGBZXWLJ-SNVBAGLBSA-N 441.253 4.313 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCc2nc(-c3ccccc3Cl)sc2C1 565356296 DUARYVXRRNFXHC-UHFFFAOYSA-N 449.941 4.260 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 569960689 PSIGCLWATBCIKN-GDLZYMKVSA-N 444.534 4.153 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C2(S(=O)(=O)c3ccccc3)CCCCC2)cc1[N+](=O)[O-] 573601492 YIYUQVXDCVETFC-KRWDZBQOSA-N 430.526 4.257 5 20 IIBD CC[C@@H]1CN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H](C)[S@]1=O 577800509 ZHTVJOBLSLAPPV-FYQXTDFZSA-N 438.553 4.179 5 20 IIBD Cn1nc([N+](=O)[O-])cc1-c1nc(-c2ccc(-c3csc(-c4ccncc4)n3)cc2)no1 579773954 YNDPXGNVBKPLOB-UHFFFAOYSA-N 431.437 4.231 5 20 IIBD O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)C1CCN(c2ccccc2[N+](=O)[O-])CC1 583903062 DGXWYAVWSBCWCH-GOSISDBHSA-N 435.446 4.349 5 20 IIBD C[C@@H](CCc1ccco1)NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 588675805 PLOZIXDIFLKWPA-AWEZNQCLSA-N 440.422 4.060 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(C(=O)c3ccc(C)cc3C)CC2)cc1OC 603576749 IHBACEPKNZIYJE-UHFFFAOYSA-N 440.496 4.354 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)cc([N+](=O)[O-])c1 603667156 VNURAFWCILXKPM-UHFFFAOYSA-N 425.372 4.350 5 20 IIBD COc1ccc(CNC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)cc1[N+](=O)[O-] 604017935 JDJVKJGZNZPFKR-UHFFFAOYSA-N 437.500 4.219 5 20 IIBD CCOC1CCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 604262185 VVKYCILHDDTXID-UHFFFAOYSA-N 431.876 4.142 5 20 IIBD CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 604442645 MNIZJUGADJBUBN-ZIAGYGMSSA-N 433.892 4.317 5 20 IIBD O=C(Nc1cccc2[nH]ccc12)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 604564161 DPHCXTVVZSVFIN-UHFFFAOYSA-N 436.449 4.129 5 20 IIBD COc1cc(CCNC(=O)Nc2cccc(-c3nc(C)cs3)c2)c([N+](=O)[O-])cc1OC 608841389 OINYBSARFRZNCP-UHFFFAOYSA-N 442.497 4.408 5 20 IIBD CNC(=O)c1cnc(/C=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)s1 608845947 KLFQHWSPOJSVQJ-POHAHGRESA-N 425.466 4.169 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1c(N2CCCC2)cccc1N1CCCC1 609503838 WVKNROJXQORAGV-UHFFFAOYSA-N 433.512 4.389 5 20 IIBD C[C@@H](Oc1ccccc1NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)c1ccccc1 609652406 VKAAVUMVEGUWJU-MRXNPFEDSA-N 447.447 4.099 5 20 IIBD CCCC(=O)NC1CCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 609773191 PGMZEXCEFOOIBX-UHFFFAOYSA-N 426.473 4.300 5 20 IIBD NC(=O)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cc1 611200895 AITGQRNSRUNZRH-UHFFFAOYSA-N 429.498 4.136 5 20 IIBD CCCOc1cc(NC(=O)Cc2cc(F)cc3c2OCOC3)c([N+](=O)[O-])cc1OCCC 619206550 MFLZRKNMCZPIST-UHFFFAOYSA-N 448.447 4.359 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](c1cccc2ccccc12)C(F)(F)F 619495824 DCQZIKYJNCGIMQ-GOSISDBHSA-N 440.399 4.339 5 20 IIBD Cc1cc(OCC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] 619526795 KENXMIIQMMPKAR-QWRGUYRKSA-N 428.329 4.308 5 20 IIBD CCN(Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1)C(C)C 726054673 RKNNJQMLLADACM-KRWDZBQOSA-N 427.501 4.318 5 20 IIBD COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OS(=O)(=O)CCC(C)C 729482905 YSBHQLGNWWEJQW-LJQANCHMSA-N 446.525 4.340 5 20 IIBD Cc1cc(C(=O)Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)c(N)c([N+](=O)[O-])c1 729529962 QDVSYKBGDGTDOJ-UHFFFAOYSA-N 444.491 4.260 5 20 IIBD O=C(Cc1ccc(Cl)cc1Br)OCc1cc([N+](=O)[O-])cc2c1OCOC2 733601616 JBRFCJHROGDYFL-UHFFFAOYSA-N 442.649 4.163 5 20 IIBD CN(C)C[C@@H]1CCN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C1 733981765 ZKPAQARMUUVGGN-AWEZNQCLSA-N 442.566 4.379 5 20 IIBD Cc1cc[n+](/C(C(=S)Nc2ccc3c(c2)OCO3)=C(/O)c2cccc([N+](=O)[O-])c2)cc1 735296655 NUNJVAISXLRCIT-UHFFFAOYSA-O 436.469 4.243 5 20 IIBD CC(C)c1ccc(SCC(=O)OCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cc1 735344263 GLXKKESIZLHIDE-UHFFFAOYSA-N 430.482 4.352 5 20 IIBD C[C@@H](OC(=O)[C@H]1CCCN(Cc2ccccc2)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 735941314 ZCLREJGTDNHPGS-WBVHZDCISA-N 445.903 4.031 5 20 IIBD COc1cc(N2CCC(OC(=O)Cn3ccc4ccc(Cl)cc43)CC2)ccc1[N+](=O)[O-] 739380317 MFMXSOVZYAKGRM-UHFFFAOYSA-N 443.887 4.424 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@@](C)(O)c2ccsc2)cc1 740938022 LASFKXJYNLTONI-OAQYLSRUSA-N 428.466 4.095 5 20 IIBD COc1ccccc1-c1noc([C@@H](C)NCc2ccc(Br)c([N+](=O)[O-])c2)n1 742391020 ZPNYQHSBCXUUNH-LLVKDONJSA-N 433.262 4.267 5 20 IIBD CCOc1cc(N2CCC(OC(=O)COc3ccc(CC)cc3)CC2)ccc1[N+](=O)[O-] 744205293 XHPFJZNCUCOSCP-UHFFFAOYSA-N 428.485 4.147 5 20 IIBD O=C(COC(=O)c1ccc(OCc2cccnc2)cc1)Nc1cc([N+](=O)[O-])ccc1Cl 746955983 ZDCSJHAEGSVPFV-UHFFFAOYSA-N 441.827 4.018 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1ccc(N2CCCC2)cc1 747125570 ZJXUAZSKVUZKBE-UHFFFAOYSA-N 437.374 4.009 5 20 IIBD Cc1cc(C(=O)COC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c(F)cc1F 748875995 PLRUNLSACMJRQX-UHFFFAOYSA-N 443.406 4.083 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCc2nccn2CCc2ccccc2)CC1 751418702 PAADRSQDGUBEHW-UHFFFAOYSA-N 447.539 4.200 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H](C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccccc1 753630443 QIJAWNGCBZEFHG-GOSISDBHSA-N 436.468 4.390 5 20 IIBD CCOC(=O)N(C)c1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1 754636422 PVUKCQYFHGPHMM-UHFFFAOYSA-N 440.225 4.341 5 20 IIBD O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)Nc1ccc(Br)c([N+](=O)[O-])c1 755029059 KPKSHFHXYKBELB-INIZCTEOSA-N 447.333 4.043 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H]2CC3(CCC3)Oc3ccccc32)ccc1[N+](=O)[O-] 757811420 AKROGVHRFNYBHG-TZIWHRDSSA-N 449.507 4.071 5 20 IIBD CCOC(=O)CC1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CCCCC1 759745170 JSMPGXGDHVKSPT-UHFFFAOYSA-N 445.285 4.130 5 20 IIBD C[C@H](Sc1nc2ccccc2s1)C(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 762910723 UFKWHWXBHWCGOX-NEPJUHHUSA-N 431.495 4.256 5 20 IIBD NC(=O)[C@H](OC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(F)cc1 768092747 DHZFDTVLYNJRGP-LJQANCHMSA-N 426.425 4.269 5 20 IIBD O=c1c(-c2ccccc2)coc2cc(OS(=O)(=O)c3csc([N+](=O)[O-])c3)ccc12 768804629 ZHCVNIBPBLOTJW-UHFFFAOYSA-N 429.431 4.197 5 20 IIBD COc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1[N+](=O)[O-] 769605875 PNWFIPKEFDRNDO-VIFPVBQESA-N 446.765 4.460 5 20 IIBD C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(O)(c2ccccc2Cl)CC1 769810682 AYUVWZZCZPEHCM-ZDUSSCGKSA-N 438.311 4.212 5 20 IIBD COc1ccccc1-c1csc([C@@H]2CCCN(Cn3nc(C)c([N+](=O)[O-])c3C)C2)n1 773344936 PLMSXTMJRWIZJT-MRXNPFEDSA-N 427.530 4.377 5 20 IIBD O=C(Nc1cccc2cc[nH]c12)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 776065366 ZCAMLLFRRYYWDI-UHFFFAOYSA-N 433.390 4.449 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1ncc[nH]1 777458856 NZSBNGLRXVUAQH-NRFANRHFSA-N 442.479 4.077 5 20 IIBD Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1cc([N+](=O)[O-])c2nsnc2c1 778236403 XRSMHCFQJRSHLX-UHFFFAOYSA-N 433.449 4.413 5 20 IIBD C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] 780884435 KRXMIDRWCCDBDP-BDJLRTHQSA-N 431.297 4.052 5 20 IIBD CC(C)[C@@H]1C[C@H](CC(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)CCO1 781563449 KKPPIRZDVPBHEV-APWZRJJASA-N 430.505 4.223 5 20 IIBD CN(C)c1ccnc(C(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)c1 784310923 KLQFOLWBFMXFOE-UHFFFAOYSA-N 440.843 4.181 5 20 IIBD O=C(NCc1nc(Cc2ccccc2)no1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 785180786 FPLQTSIRFHGTTC-UHFFFAOYSA-N 444.447 4.078 5 20 IIBD O=C(NCCSCc1ccnc(Cl)c1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 787313340 IYJPKCJPEMJALO-UHFFFAOYSA-N 448.854 4.395 5 20 IIBD O=C(N[C@H]1CCc2nc(C3CCCCC3)[nH]c2C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 788243413 MJIFOVQMMBWVFM-SFHVURJKSA-N 437.544 4.253 5 20 IIBD COC(=O)c1cc(NC(=S)NCc2ccc(OC(F)(F)F)cc2)c(C)c([N+](=O)[O-])c1 792685915 JWCYGYPQJNZZQT-UHFFFAOYSA-N 443.403 4.075 5 20 IIBD COc1c(C(=O)N(Cc2ccccc2)C[C@]2(O)CCc3ccccc32)cccc1[N+](=O)[O-] 793727771 KOOJDOQVMHNXSR-RUZDIDTESA-N 432.476 4.080 5 20 IIBD CC(C)(C)OC(=O)N1CC=C(CCNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 794186230 YEOKTVBFAMSLNV-UHFFFAOYSA-N 441.887 4.003 5 20 IIBD O=C(NC[C@@H]1CCCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1)OCc1ccccc1 794675183 VRIPWMQVADYJTE-FQEVSTJZSA-N 449.511 4.054 5 20 IIBD Cc1onc(-c2cccc(Cl)c2)c1C(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 796387238 UCEQMESOBRAAOH-GFCCVEGCSA-N 429.816 4.396 5 20 IIBD O=C(Nc1ccc(CN2C(=O)CSC2=O)cc1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 798285882 KCLOCQXJIUQDQA-UHFFFAOYSA-N 448.460 4.105 5 20 IIBD COc1ccccc1-n1ncc(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)c1C 798444021 NHMYRTURTGOKNI-UHFFFAOYSA-N 434.408 4.110 5 20 IIBD C[C@@H](OC(=O)C1(c2cccc(Cl)c2)CC(=O)C1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 798686295 PVVPNCXNDHIOKO-GFCCVEGCSA-N 441.827 4.203 5 20 IIBD Cc1sc(Br)c(C(=O)O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c1C 799543661 RXAOYZJIOYBVAT-SECBINFHSA-N 427.276 4.220 5 20 IIBD CC[C@](O)(C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(Cl)c1 800320271 VPGFJBYUZQOLPS-NSPYISDASA-N 441.267 4.070 5 20 IIBD O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 800570041 YAKPGTLBDCEBPF-UHFFFAOYSA-N 442.369 4.029 5 20 IIBD COCCCOc1ccc(CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1 806368523 XQDDBBQPYYHZOD-UHFFFAOYSA-N 438.278 4.094 5 20 IIBD Cc1cc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c(C(=O)NCC(F)(F)F)cc1F 813288968 KBAUNCGUBQJSEE-UHFFFAOYSA-N 445.394 4.065 5 20 IIBD COc1ccc(CN2CCN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC2)cc1F 813371917 DQVSJCSBEKTMQV-UHFFFAOYSA-N 442.274 4.007 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)C1 814429251 UNUUMYBNJBLPGW-HOTGVXAUSA-N 435.496 4.233 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc([N+](=O)[O-])c1 814432609 RDUBVTVAEUPIIO-QZTJIDSGSA-N 431.533 4.403 5 20 IIBD Cc1ccc([C@H](OC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c2cncn2C)cn1 816321926 BQRCXAGLHLZOKE-SFHVURJKSA-N 445.273 4.049 5 20 IIBD C[C@@H](OC(=O)CCc1ccc(-c2ccccc2)o1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 844258450 XPZOBABFOKWAAD-CQSZACIVSA-N 426.400 4.497 5 20 IIBD CC(=O)Nc1cccc(OC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)c1 898575401 PUWMYKLWAWELRO-UHFFFAOYSA-N 447.447 4.069 5 20 IIBD O=C(COC(=O)c1cccc2c3c([nH]c12)CCCC3)Nc1ccc([N+](=O)[O-])cc1Cl 912882195 XTZLPQWZJLPBEB-UHFFFAOYSA-N 427.844 4.404 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1 918596860 BMUWZDWDIDWKLC-YHYXMXQVSA-N 447.469 4.248 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccn(C2CCCCC2)n1 1116787844 YIOYLQALTIOLNO-UHFFFAOYSA-N 432.502 4.204 5 20 IIBD C[C@@H](OC(=O)c1ccccc1NC(=O)c1cccs1)C(=O)Nc1ccc([N+](=O)[O-])cc1 1318143378 DWAAXLHBUFTTFY-CYBMUJFWSA-N 439.449 4.093 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Oc1cc(F)c(Br)cc1Cl 1321289787 JUPGMFXIRYESHF-UHFFFAOYSA-N 428.601 4.105 5 20 IIBD O=C(c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 1321634783 YOCMVVWAKYLXKJ-UHFFFAOYSA-N 425.448 4.409 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)CCC1)c1ccc2ccoc2c1 1789691452 HFXDXTZHGRQQHM-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD CN(C)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])[nH]4)CCC3)cc2)c1 1790269246 FFLJATDRRGQVGJ-UHFFFAOYSA-N 447.495 4.050 5 20 IIBD CCCCC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cc([N+](=O)[O-])ccc1F 1794063543 PFHFAXJLSFPTFF-KANFNMMFSA-N 433.524 4.131 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1cc([C@H]2CCCCN2C(=O)CC2CCCC2)[nH]n1 1814966704 OHBAHPGACROBNW-XSFOEPMVSA-N 441.488 4.197 5 20 IIBD O=C(CC1CCCC1)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)[nH]n1 1816682239 GHPPNOUNALVMHJ-LNENJAERSA-N 441.488 4.197 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)[nH]n1)c1ccccc1 1820401035 RMHOTYXREZBNDP-OAQYLSRUSA-N 447.495 4.257 5 20 IIBD CC(C)/C=C/C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)[nH]n1 1823083065 QBTUNCKIWIPZKU-BQYDLMEBSA-N 439.516 4.155 5 20 IIBD Cc1ccccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823613643 HFZSXYIDGPQLOX-LJQANCHMSA-N 425.485 4.043 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2C2CC2)CC1 1824073173 VIERVMVOBARNEA-BDTNDASRSA-N 443.519 4.013 5 20 IIBD CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCc2cc(C)c(F)cc2[N+](=O)[O-])CC1 1826346748 KFORBONPAIRHTA-OAQYLSRUSA-N 447.551 4.395 5 20 IIBD CC1(C)CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)C1 1830498159 UOEHWQDPMKBEFL-OAQYLSRUSA-N 445.535 4.403 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@H]2CCCCN2C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 1831474675 DCRUFEKMWDEPRI-BTHPGYMESA-N 443.544 4.247 5 20 IIBD Cc1c(C(=O)N2CCCC23CN(C(=O)c2cccc(Cl)c2)C3)cc(Cl)cc1[N+](=O)[O-] 1845499795 JDPRTNAZLRDSEB-UHFFFAOYSA-N 448.306 4.341 5 20 IIBD CC(=O)CCc1ccc2oc(C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)c(C)c2c1 8876481 CXMOTLVVOPSMSQ-HNNXBMFYSA-N 438.436 4.355 5 20 IIBD O=C(CSc1nc(C2CC2)nn1-c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 10080934 RLJPUHQTQLIPRK-UHFFFAOYSA-N 429.889 4.437 5 20 IIBD COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 14793521 QZNBZQAVIFZASH-UHFFFAOYSA-N 426.473 4.050 5 20 IIBD COc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2Br)c([N+](=O)[O-])c1 23391879 ZMBXEJGSZOKZHR-UHFFFAOYSA-N 438.255 4.287 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc3c(c2)NC(=O)CS3)CC1 24297006 KUMKYFWFCFFDCR-UHFFFAOYSA-N 426.498 4.128 5 20 IIBD CCCCn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nc2ccccc2c1=O 28383950 XXXKFXSWNSYACK-UHFFFAOYSA-N 446.916 4.489 5 20 IIBD O=[N+]([O-])c1c(Sc2nnc(CN3CCCCC3)n2-c2ccccc2)nc2sccn12 29003442 QUUFYSOLIZYQEC-UHFFFAOYSA-N 441.542 4.022 5 20 IIBD O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O)c1ccccc1[N+](=O)[O-] 29696978 NRTPAILOFFIGDF-UHFFFAOYSA-N 447.856 4.007 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c(F)cc1F 31026980 GSEZVDCIJAEUFV-BETUJISGSA-N 447.438 4.394 5 20 IIBD CCCN1CCC(N(C)C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)CC1 64309903 MRGDVZADPMCEHL-UHFFFAOYSA-N 434.587 4.457 5 20 IIBD CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCc1cc(-c2ccccc2)no1 79309272 CMGAENQLHRFNDW-UHFFFAOYSA-N 434.408 4.191 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(OC(C)C)c(OC)c2)cc1OC 106217822 AKFZFPFFJIVUIJ-CQSZACIVSA-N 432.473 4.289 5 20 IIBD CSc1ccc(C(=O)Nc2ccc(I)cc2C)cc1[N+](=O)[O-] 215736736 OSFXZQBNRUFAHS-UHFFFAOYSA-N 428.251 4.482 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3cc(Cl)ccc3N(C)C)cc2)c(C)c1[N+](=O)[O-] 248148064 WKFKLUJETHPAGO-UHFFFAOYSA-N 427.892 4.428 5 20 IIBD COCc1cc([N+](=O)[O-])ccc1N1CCO[C@H](c2ccc(F)c(Br)c2)C1 302430783 PQTLWEKABBYVBK-SFHVURJKSA-N 425.254 4.221 5 20 IIBD COc1ccc([C@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)c2c[nH]c3ccccc23)cc1 302691527 XMXDFKLMVXCFRD-QFIPXVFZSA-N 445.475 4.412 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N[C@H]2CCCC23CCOCC3)c([N+](=O)[O-])c1 409673996 YKBOHISCUVGQOT-NRFANRHFSA-N 438.480 4.374 5 20 IIBD CNC(=O)c1cc(Oc2cc(C)ccc2NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccn1 426850989 LWWPNIOWTFLCBE-UHFFFAOYSA-N 440.843 4.356 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2c(SC)cnn2-c2ccccc2)cc1OC 429883703 JRWVDIDUEFJFSV-UHFFFAOYSA-N 428.470 4.162 5 20 IIBD CCN([C@H](c1cccnc1)c1ccc(F)c(F)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 431916438 MGWKHYGSVPEZAJ-FQEVSTJZSA-N 433.436 4.068 5 20 IIBD C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CC[S@](=O)C1 432581778 YSIQFRSKRLYAIW-OIJAAMDRSA-N 438.958 4.240 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 436970056 KNANKUJGFNTFGS-CYBMUJFWSA-N 428.832 4.024 5 20 IIBD O=C(Nc1cccc(COCc2ccco2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 437008271 PDXXXYSHAYTPNM-UHFFFAOYSA-N 429.816 4.135 5 20 IIBD CC(C)Oc1ccc(NC(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c(Cl)c1 437043584 VIRVOMXPMNRYOD-UHFFFAOYSA-N 431.876 4.165 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@@H](C)c2nc(C(C)(C)C)no2)cc1[N+](=O)[O-])c1ccccn1 437136643 ZPDWTSMUMYODDW-KBPBESRZSA-N 438.488 4.334 5 20 IIBD O=C(NCc1nc(-c2ccc(Cl)cc2)no1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437957791 BJJVGKHRGCRQMF-UHFFFAOYSA-N 427.848 4.172 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N2CCC[C@@H]2c2ccsc2)cc1[N+](=O)[O-] 439244188 GVYZJBUQVRJUSO-CQSZACIVSA-N 431.333 4.253 5 20 IIBD COc1cc(C(=O)Nc2nc(-c3ccc(SC)cc3)ns2)cc([N+](=O)[O-])c1OC 440469628 LFUBJORLJQZFEE-UHFFFAOYSA-N 432.483 4.105 5 20 IIBD CN(C)CCN(C)C(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 443224242 OGMVCYHZNRBAJT-UHFFFAOYSA-N 427.448 4.398 5 20 IIBD CCc1cc(=O)c2cc(NC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)ccc2[nH]1 444285982 KCODQXNCPLAGSA-UHFFFAOYSA-N 427.435 4.477 5 20 IIBD CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)CSc1ccccc1[N+](=O)[O-] 444541132 HHSCWCGVGBLZQK-UHFFFAOYSA-N 445.541 4.340 5 20 IIBD C[C@@H](NC(=O)NCc1cnn(-c2ccc(Br)cc2)c1)c1cccc([N+](=O)[O-])c1 444957565 GSOZVPBKIUUXIM-CYBMUJFWSA-N 444.289 4.103 5 20 IIBD Cc1nc(NC(=O)c2cnc(O)c([N+](=O)[O-])c2)sc1Cc1cccc(Br)c1 445188563 IVSQZJLPNSFJIL-UHFFFAOYSA-N 449.286 4.066 5 20 IIBD CCCOc1c(Cl)cc(/C=C\c2nc(-c3c([N+](=O)[O-])nc(C)n3C)no2)cc1OC 445610806 SJTSADPKEVUBHY-SREVYHEPSA-N 433.852 4.308 5 20 IIBD O=C(CCCNC(=O)c1ccsc1)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] 446429675 NBSSQZPKMALFDN-UHFFFAOYSA-N 439.493 4.384 5 20 IIBD Cc1ccc(Sc2ccc(CN3CCC(C)(C)S(=O)(=O)CC3)cc2[N+](=O)[O-])cc1 447069029 QIUHWKMVQSAIOJ-UHFFFAOYSA-N 434.583 4.454 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCC[C@@H]2Oc2ccccc2C)cc1OC 448192537 YKHVRCADOJAOKJ-PXNSSMCTSA-N 428.485 4.431 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ccnc(Oc2ccc(F)cc2F)c1 448445133 GEUOVABGIZSCHI-UHFFFAOYSA-N 443.362 4.013 5 20 IIBD COc1cc(C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)cc(OC)c1Br 463128978 BKBGRNZVNWCLCS-UHFFFAOYSA-N 432.230 4.175 5 20 IIBD CCN(c1cccc(Br)c1)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 463510628 ZLJYEUHBVSXRNE-UHFFFAOYSA-N 436.287 4.121 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCC(=O)N(C)C3CCCCC3)cc2[N+](=O)[O-])n1 465150165 UVCCEWWSGMHQSI-UHFFFAOYSA-N 448.570 4.032 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])NCC1CCN(Cc2ccccc2Cl)CC1 465895136 AAXVCSHRGQUUNI-UHFFFAOYSA-N 430.936 4.002 5 20 IIBD C[C@@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(F)c2)no1 465978544 GOIGVGSMWLDKOZ-CQSZACIVSA-N 427.436 4.167 5 20 IIBD COc1ccc2c(c1)[C@@H](NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CCO2 466504719 BKVGSNRJPRFTED-AWEZNQCLSA-N 442.415 4.354 5 20 IIBD O=C(Nc1nc2ccccn2n1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 466727784 FRYSJIRKBXUWDQ-UHFFFAOYSA-N 425.857 4.694 5 20 IIBD COC(=O)c1ccc(C(C)C)c(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c1 468191549 IHDBKKONKTVYTE-UHFFFAOYSA-N 438.383 4.367 5 20 IIBD COc1cc(C(=O)N2CCC[C@@H]2c2ncc(-c3ccc(F)cc3)[nH]2)cc([N+](=O)[O-])c1OC 468966306 OKDCKXBBIPPGEH-QGZVFWFLSA-N 440.431 4.119 5 20 IIBD O=C(Nc1nnc(-c2ccc(Cl)cc2F)s1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 470629983 ZOKPXITUTAFITF-UHFFFAOYSA-N 444.835 4.344 5 20 IIBD O=C(c1cc2sccc2s1)N1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 471700935 DUPZGDGDEDGVTN-UHFFFAOYSA-N 439.465 4.435 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCSC[C@@H]3c3nccs3)cc2[N+](=O)[O-])C1 472114343 CWQDSCHUIOBNIK-SPYBWZPUSA-N 446.598 4.464 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)NC(CCc1ccccc1)CCc1ccccc1 472636344 FVDAOWDPHSJAEB-UHFFFAOYSA-N 449.482 4.423 5 20 IIBD COc1ccc(CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C(C)(C)C)c(OC)c1 474166392 AFVXSZSGVDSQGC-UHFFFAOYSA-N 426.473 4.463 5 20 IIBD COc1cc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc([N+](=O)[O-])c1C 478629010 GBZHLBOMJYZWQH-UHFFFAOYSA-N 427.438 4.059 5 20 IIBD CSCCCCCNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 479053773 KUHSSQVKIGGFSH-UHFFFAOYSA-N 433.496 4.480 5 20 IIBD O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccc(Br)cc1[N+](=O)[O-] 479774880 GLPZKJXLQHBNFQ-MRXNPFEDSA-N 431.246 4.337 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2C)CC1 480056161 OERSPSQPYDCJDY-UHFFFAOYSA-N 444.557 4.191 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)c1C 480960179 YZXWYZBUPBIJMF-UHFFFAOYSA-N 431.539 4.390 5 20 IIBD CCOc1ccc(-n2c(Sc3c([N+](=O)[O-])ncn3C)nnc2-c2cccs2)cc1 481817841 TUIHAJIDPROFRP-UHFFFAOYSA-N 428.499 4.187 5 20 IIBD Cc1c([C@@H](C)NCCc2ccc([N+](=O)[O-])cc2)nnn1-c1cccc(Br)c1 482521337 XNSUJPKTXRNTMU-CYBMUJFWSA-N 430.306 4.140 5 20 IIBD CSc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)N2CCc3sccc3C2)cc1 484679374 IFPJISBJCIMTSG-LJQANCHMSA-N 442.566 4.236 5 20 IIBD O=C(NCc1nc(-c2cccc(Cl)c2)no1)c1sc(Br)cc1[N+](=O)[O-] 485485540 FUKIRSZROFNDCF-UHFFFAOYSA-N 443.666 4.052 5 20 IIBD CSc1cccc(C(=O)NCc2ccccc2CN(C)Cc2ccco2)c1[N+](=O)[O-] 486237908 ZXQXUZFZWOLIND-UHFFFAOYSA-N 425.510 4.472 5 20 IIBD Cc1ccc(C)n1-c1nc(CC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cs1 486686182 AARGQJWWUGMASR-UHFFFAOYSA-N 438.431 4.337 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(S(=O)(=O)N[C@@H](C)CC)c1 489248523 DVMKBTMJOAYZRI-ZDUSSCGKSA-N 437.543 4.036 5 20 IIBD CCOC(=O)[C@H]1CCCc2sc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc21 493304657 OGKBVNNWBDBXQO-NSHDSACASA-N 443.403 4.305 5 20 IIBD Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cc1[N+](=O)[O-] 493792484 IVJKCFOLNAAVHL-LBPRGKRZSA-N 449.476 4.255 5 20 IIBD COc1cc(Br)cc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c1 498777275 MHSBZYPINWPJPC-UHFFFAOYSA-N 430.052 4.381 5 20 IIBD Cn1cnc([N+](=O)[O-])c1N[C@@H](C(=O)Nc1ccc(Br)cc1F)c1ccccc1 498916681 LBJLLWOHVUGFAM-OAHLLOKOSA-N 448.252 4.022 5 20 IIBD O=[N+]([O-])c1cc(CNc2cccc(CN3CCOCC3)n2)ccc1Oc1ccc(F)cc1 503263806 DLPSCVXOANVZMH-UHFFFAOYSA-N 438.459 4.366 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 504556789 WTQOGMOPJOMZTR-XLIONFOSSA-N 449.479 4.077 5 20 IIBD CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 505418378 AYMXBGYOCJVSNE-IBGZPJMESA-N 432.318 4.266 5 20 IIBD O=[N+]([O-])c1cccc(-n2cc(-c3nc([C@@H](F)c4ccc(C(F)(F)F)cc4)no3)nn2)c1 512032879 UJCYPZGOBXVQKC-HNNXBMFYSA-N 434.309 4.303 5 20 IIBD CC(C)[C@@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 513663737 MAWPRKHDWDFHAC-QGZVFWFLSA-N 445.541 4.294 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)Nc1ccc2scnc2c1)c1ccccc1[N+](=O)[O-] 513968356 BNVHHFHPDXCOHV-HNNXBMFYSA-N 428.470 4.409 5 20 IIBD C[C@@H](NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccc(Oc2cccnc2)cc1 514174438 MNWVSIUHKDCIFW-GOSISDBHSA-N 447.495 4.375 5 20 IIBD Cc1nc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)ccc1-c1ccccc1 515183939 VXSFDYYDWLEUTE-QGZVFWFLSA-N 436.493 4.270 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 515872432 GDNPGHZTTGGVRM-SANMLTNESA-N 440.499 4.193 5 20 IIBD CCn1c(SCC(=O)Nc2cc(C(C)(C)C)nn2C)nc2cc3ccccc3cc2c1=O 516589871 JIUAXOGBFWVASR-UHFFFAOYSA-N 449.580 4.331 5 20 IIBD O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H]1c1cccc(Br)c1 517590717 WNISVMDSROXBBW-SJORKVTESA-N 427.258 4.285 5 20 IIBD Cc1cc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)ccc1NC(=O)c1ccco1 519999848 BFXQPHGHOHNYHT-UHFFFAOYSA-N 431.408 4.187 5 20 IIBD COc1cc(Cc2noc(-c3cnn(-c4ccc(C(F)(F)F)cc4)c3)n2)ccc1[N+](=O)[O-] 521313910 DAQHEQQSBAXAMM-UHFFFAOYSA-N 445.357 4.449 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1 522871759 LIKSSFFFCXUAMS-OAHLLOKOSA-N 428.518 4.206 5 20 IIBD COc1ccc(C2=NN(C(=O)COc3ccc(F)cc3[N+](=O)[O-])[C@@H](c3ccco3)C2)cc1 524222825 QAAQEEAKRZZGIT-GOSISDBHSA-N 439.399 4.092 5 20 IIBD COc1cc(C(=O)N2CCCc3cc(Br)cc(F)c32)cc([N+](=O)[O-])c1OC 525030374 UBADGZZBSBEYTJ-UHFFFAOYSA-N 439.237 4.107 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(CSC2CCCC2)c1 525432933 QVHYVFKALBYAGO-UHFFFAOYSA-N 427.526 4.068 5 20 IIBD C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 532551200 FQLUNQYYWCFSIZ-HNNXBMFYSA-N 425.464 4.016 5 20 IIBD O=C(c1cn(Cc2ccccc2)c2ccccc2c1=O)N1CCc2c(cccc2[N+](=O)[O-])C1 535321945 NKYLQEKDRYZNME-UHFFFAOYSA-N 439.471 4.157 5 20 IIBD CCn1cc(S(=O)(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c([N+](=O)[O-])n1 535987769 AGYBATSLNYLXJA-UHFFFAOYSA-N 443.510 4.197 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)CCOc1ccccc1[N+](=O)[O-] 538041500 MDBPKZOGXAWBMK-YJYMSZOUSA-N 437.290 4.019 5 20 IIBD C[C@H](NC(=O)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)c1ccc(OC(F)(F)F)cc1 538660797 YCRGYYPTFDPZAZ-ZDUSSCGKSA-N 434.374 4.234 5 20 IIBD CC[C@@H](CSc1ccccc1[N+](=O)[O-])Nc1cccc(CN2CCC(C(N)=O)CC2)c1 539636593 WCAUGBFJWUNUAN-IBGZPJMESA-N 442.585 4.275 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(c2cc(CC)ncn2)C1 540722133 NGNAUBXERRJHHV-KRWDZBQOSA-N 443.573 4.238 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 541588531 JKKBUUMERNLPKU-QFIPXVFZSA-N 447.470 4.362 5 20 IIBD CCc1cnccc1[C@@H](C)N[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 543053243 ZZTKBTXYBNEBDL-KGLIPLIRSA-N 425.514 4.354 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccc(OCc2noc(C3CC3)n2)cc1 544073293 UQSOTNBLGYLXRD-UHFFFAOYSA-N 426.454 4.165 5 20 IIBD Cc1c(Br)cc(-c2nc([C@@H](C)CNC(=O)c3ccccc3)no2)cc1[N+](=O)[O-] 545041818 FQCIAAKUCRYVRR-NSHDSACASA-N 445.273 4.249 5 20 IIBD CC(C)CS(=O)(=O)CCc1nc(-c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)no1 545074022 YIXAKIWHQICLPU-UHFFFAOYSA-N 431.470 4.050 5 20 IIBD CC(C)(C(=O)Nc1ccc(CN2CCOCC2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1F 545826273 MVGLEWBXALHEDM-UHFFFAOYSA-N 435.883 4.136 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](c2ccc(F)cc2)c2cccs2)c2ncccc12 545920741 SPFAKSMAQXIRMR-LJQANCHMSA-N 443.481 4.412 5 20 IIBD O=[N+]([O-])c1ccccc1Cc1noc(-c2cn(-c3ccc(Br)cc3)cn2)n1 546242077 CNSYBQMUCUWOGR-UHFFFAOYSA-N 426.230 4.184 5 20 IIBD O=[N+]([O-])c1ccc2nc(O)cc(-c3nc(Cc4ccc(OC(F)(F)F)cc4)no3)c2c1 546315739 YLEHBNHQRDOJSK-UHFFFAOYSA-N 432.314 4.388 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc([C@@H]2CC(=O)N(c3ccccc3)C2)no1 546418244 NVZPOXYASPSRPB-CHWSQXEVSA-N 428.832 4.292 5 20 IIBD CC(C)c1[nH]nc(-c2nc(Cc3c[nH]c4cc(Br)ccc34)no2)c1[N+](=O)[O-] 546543080 CPCSRKHWAZLGMW-UHFFFAOYSA-N 431.250 4.326 5 20 IIBD O=C1C[C@@H](c2noc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2)CN1Cc1ccccc1 546547122 BPHMRKQNKAGEBO-CQSZACIVSA-N 432.358 4.180 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@@H](OCC4CC4)C3)n2Cc2cccs2)c1 549947835 CIMRFMMSRBHKGQ-LJQANCHMSA-N 439.541 4.359 5 20 IIBD O=C(CCS(=O)(=O)[C@@H](c1ccccc1)c1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] 549955194 NIJRXDSQTQIHQI-QFIPXVFZSA-N 442.468 4.267 5 20 IIBD CC(C)(C)n1cc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)c(-c2ccc(F)cc2F)n1 552132761 GPRWIBIZKWYMRU-UHFFFAOYSA-N 440.410 4.620 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc(F)c(F)cc1Br 552717349 ZRLKHUYOOMVQHG-VIFPVBQESA-N 431.258 4.433 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC[C@H]1Cn1cc(C2CC2)nn1 553614432 AYWMBLOIBZYKKE-AWEZNQCLSA-N 443.305 4.043 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(Cc3nc(C(C)C)no3)cc2)c([N+](=O)[O-])cc1OC 554942378 IFJOWMGHDGNIHS-UHFFFAOYSA-N 440.456 4.352 5 20 IIBD C[C@@H]1CCCN(c2ccc(C(=O)N3CCC(F)(c4cccnc4)CC3)cc2[N+](=O)[O-])C1 556462694 OMEMJTFBAASXDA-QGZVFWFLSA-N 426.492 4.327 5 20 IIBD C[C@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F)[C@@H]1OCCc2sccc21 559755037 BBVMTKBVVZJLMF-SJCJKPOMSA-N 428.432 4.497 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccnc(-c4cncs4)n3)cc2[N+](=O)[O-])C1 561787176 KEOGULKCZITCTN-OKILXGFUSA-N 438.513 4.243 5 20 IIBD O=C(c1cc2ccccc2[nH]1)N1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 567182500 MVQOINAYMMSQCH-UHFFFAOYSA-N 432.402 4.053 5 20 IIBD Cc1nn(CCC(=O)N[C@H]2c3cc(Br)ccc3CC2(C)C)c(C)c1[N+](=O)[O-] 569034932 SDZPSKCOTCYVRP-SFHVURJKSA-N 435.322 4.001 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 569941758 CVUCCSKHDYBJLY-IYBDPMFKSA-N 425.485 4.364 5 20 IIBD Cc1ccccc1CN1CCC(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)CC1 577967044 KMKSPCKSTFMOKN-UHFFFAOYSA-N 446.345 4.369 5 20 IIBD Cc1c(Br)cc(C(=O)N[C@@H]2c3ccccc3CC23CCOCC3)cc1[N+](=O)[O-] 579774745 XNQRASXFBQYXHI-LJQANCHMSA-N 445.313 4.490 5 20 IIBD O=C(NC1CCCCC1)c1ccc(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 582455781 LXZNBLAQWKJTOI-UHFFFAOYSA-N 438.484 4.084 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)c(F)cc1[N+](=O)[O-] 590598058 HDLNCBNTIHWPRX-UHFFFAOYSA-N 428.401 4.046 5 20 IIBD Cc1ccc(C(C)C)c(Oc2ccc([C@@H]3NC(=O)[C@@H]4CSCCN43)cc2[N+](=O)[O-])c1 602755719 JBFKACACXUTKIH-GHTZIAJQSA-N 427.526 4.365 5 20 IIBD Cc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)C(C)C)cc3)n2)cc1[N+](=O)[O-] 603733160 AZUXEPQXYKVRML-UHFFFAOYSA-N 445.522 4.461 5 20 IIBD COc1cc(C(=O)Nc2cccnc2OCc2ccccc2)c([N+](=O)[O-])cc1OC(F)F 603817323 XSQNNINJMMRAQB-UHFFFAOYSA-N 445.378 4.431 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)ccc1C 603976970 NJVGKEPZVCCVNC-HUUCEWRRSA-N 425.485 4.282 5 20 IIBD CCC(C)(C)NC(=O)c1ccc(NCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1Cl 604009363 FTQCRCAPKRWFSC-UHFFFAOYSA-N 448.907 4.226 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCc3ccccc3OCC(C)C)cc2)c(C)c1[N+](=O)[O-] 604199071 DEODUKVOCXKIMM-UHFFFAOYSA-N 436.512 4.421 5 20 IIBD O=C(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)N[C@H](c1ccccc1)c1cccc(Cl)c1 608869661 ATAABGMKVCEWHE-JOCHJYFZSA-N 447.882 4.413 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)nc(SCCn1cncn1)n2-c1cccc(C(F)(F)F)c1 608895683 DPHQCGVHMDSIOW-UHFFFAOYSA-N 434.403 4.336 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 608962520 GQHFCOXSKVLHBJ-FQEVSTJZSA-N 433.867 4.201 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H]1c1cccc2c1OCCO2 608969477 AQLKHRPADISVFU-CZUORRHYSA-N 432.860 4.150 5 20 IIBD C[C@@H](c1ccco1)N(C)C(=O)c1ccc(C(=O)N(C)[C@@H](C)c2ccco2)c([N+](=O)[O-])c1 609043940 IFYOPKKIIFMIRF-GJZGRUSLSA-N 425.441 4.447 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(I)cc1Cl 609054973 QXSIINNXBOCSPH-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD Cc1cc(S(=O)(=O)Nc2c(C)cnn2[C@H]2CCCc3ccccc32)ccc1[N+](=O)[O-] 609690823 FIUKVZKBPDPGCO-FQEVSTJZSA-N 426.498 4.135 5 20 IIBD Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)Nc1cccc(Oc3ccc([N+](=O)[O-])cc3)c1)C2=O 609755653 NIVGEVKXXUXSOX-HNNXBMFYSA-N 445.431 4.319 5 20 IIBD COc1ccc(CNC(=O)CNc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1OC 609765355 RPSRWHQAAUSTGP-UHFFFAOYSA-N 437.452 4.133 5 20 IIBD CCN(Cc1ccccc1)C(=O)[C@@H](C)SCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 609770714 KWFCFQQAJVVRHM-MRXNPFEDSA-N 443.525 4.063 5 20 IIBD COC(=O)c1cccc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c1 609853360 MSGDUYAHAJEJDC-UHFFFAOYSA-N 435.223 4.126 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCc1ccc(OC(F)F)cc1 610259525 MIRMFWCXWXYSQK-UHFFFAOYSA-N 441.239 4.024 5 20 IIBD O=C(Nc1ccc(N2CCOCC2)cn1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611199457 WCYPJFIDBJTHCA-UHFFFAOYSA-N 428.514 4.113 5 20 IIBD Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](CC(F)(F)F)c1ccc(Br)cc1 612504901 CEAIDVQLBXANAK-AWEZNQCLSA-N 432.196 4.484 5 20 IIBD CSc1cccc(C(=O)N[C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] 614423756 HHAXPOOXMSGXOU-MISYRCLQSA-N 425.554 4.347 5 20 IIBD CCn1c(=O)c2ccccc2n2c(COc3ccc([N+](=O)[O-])cc3-c3cccs3)nnc12 619879542 BAPYPUKFXHSZMC-UHFFFAOYSA-N 447.476 4.280 5 20 IIBD C[C@H](OC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 727220852 WXXWBBYSEHSFMX-WDEREUQCSA-N 427.240 4.239 5 20 IIBD CC(C)(C)c1nc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cs1 727329728 DVCMPRSEUKKBSP-UHFFFAOYSA-N 442.463 4.330 5 20 IIBD CC(=O)N(c1nc(COC(=O)c2cc(C)cc([N+](=O)[O-])c2N)cs1)c1ccccc1F 727900090 IGNAJBBNKAJTSW-UHFFFAOYSA-N 444.444 4.123 5 20 IIBD O=[N+]([O-])c1ccc(-c2cnn(CN3CCO[C@H](c4cccc(Br)c4)C3)c2)cc1 728900482 KASGIUZFCFYHDZ-FQEVSTJZSA-N 443.301 4.252 5 20 IIBD C[C@@H](OC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 729780084 LFJDTTDYURLUMK-MRXNPFEDSA-N 447.447 4.055 5 20 IIBD COc1ccc(/C=C(/c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 730151447 KMMLSOKZXUPSFJ-STZFKDTASA-N 435.461 4.452 5 20 IIBD O=C(COC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ncc(C(F)(F)F)cc1Cl 730643373 ARZCKBSGYDMLQE-UHFFFAOYSA-N 438.145 4.111 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1ccc(N2CCCCC2)cc1 731781024 RMSFADOAFPJRAR-UHFFFAOYSA-N 440.319 4.148 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)O[C@H]2CCc3c(Cl)cccc32)cc1[N+](=O)[O-] 732509476 OFXQWTUHYOGODS-INIZCTEOSA-N 430.873 4.372 5 20 IIBD CCOc1nnc(COC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)s1 733395726 VGTZVSCXUVIJQJ-UHFFFAOYSA-N 448.888 4.468 5 20 IIBD O=[N+]([O-])c1ccc(NC(=S)N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)cc1 733907050 RXXNUXPQWHCAES-ZDUSSCGKSA-N 426.420 4.059 5 20 IIBD Cc1ccc(OCc2cccc(C(=O)OCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c2)cn1 734055419 KJWRVVMPDIYSEC-UHFFFAOYSA-N 446.419 4.284 5 20 IIBD CSCc1nc2ccccc2n1CC(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 735442061 FCBNXWJCTYTRPG-UHFFFAOYSA-N 438.465 4.206 5 20 IIBD O=C(OCCCOCC(F)(F)F)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 736862990 HJZWGPXZCKQGLI-UHFFFAOYSA-N 442.177 4.213 5 20 IIBD CC(C)(C)c1ncc(/C=C\C(=O)OC[C@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])s1 744115468 BPCYLSMBWQCGRR-JQPIKURYSA-N 443.525 4.210 5 20 IIBD O=C(COC(=O)c1ccc(OCc2cccnc2)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 746956087 FFAVSLJRGQLCKG-UHFFFAOYSA-N 441.827 4.018 5 20 IIBD COC(=O)c1cc(Br)ccc1OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 747385218 FATFZXKQEDRACW-JTQLQIEISA-N 440.271 4.230 5 20 IIBD Cc1c(C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748617432 JFQMXVASKGJSIG-UHFFFAOYSA-N 432.820 4.152 5 20 IIBD CCc1cccc(CC)c1NC(=O)COC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 748948359 BTALZQUSRTZZGQ-UHFFFAOYSA-N 429.429 4.040 5 20 IIBD Cc1cc(=O)oc2cc(OC(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc12 750542488 JWWYGNDPLRFYEO-UHFFFAOYSA-N 436.342 4.436 5 20 IIBD COC(=O)CCc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cc1 750864748 UDIHQIGUPFKUNS-UHFFFAOYSA-N 441.665 4.369 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N2CCCCC[C@@H]2C[C@H](O)c2ccccc2)c([N+](=O)[O-])c1 751258050 KEUPVNYMGQCFTF-OFNKIYASSA-N 448.523 4.432 5 20 IIBD COc1c([N+](=O)[O-])cc(NC[C@@H](C)c2nc(C)cs2)c([N+](=O)[O-])c1Br 754081860 MDRSJZXKMMVGTK-SSDOTTSWSA-N 431.268 4.255 5 20 IIBD CC1(C)C[C@H](NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 754229271 ORGLXHIWFHFJAI-CYBMUJFWSA-N 431.876 4.188 5 20 IIBD O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cc(F)cc([N+](=O)[O-])c1Br 756428612 AKEZUPXKWUKNOB-XJKSGUPXSA-N 441.228 4.286 5 20 IIBD Cc1cc(C)c(NC(=O)COC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c(C)c1 756524850 FTHDGGFRBTVZPT-UHFFFAOYSA-N 435.274 4.007 5 20 IIBD CCOc1cccc(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c1OC(F)F 756956752 WNBBZXHWESNTQM-UHFFFAOYSA-N 429.807 4.248 5 20 IIBD CC(=O)Nc1cc(F)c(S(=O)(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)cc1Cl 757360821 MCGCLFRBXACEPQ-UHFFFAOYSA-N 438.820 4.267 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cnc(Br)c(Br)c1 758272221 KVQVJZPIERBELU-UHFFFAOYSA-N 444.083 4.179 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N(Cc2ccco2)c2ccccc2)ccc1Br 760344182 QXCFEGQXKPGVBB-UHFFFAOYSA-N 437.271 4.346 5 20 IIBD Cc1cc(-c2noc([C@@H](C)NC(=O)c3cc([N+](=O)[O-])ccc3Br)n2)ccc1F 760827587 UPTQFFWSWSRHIY-SNVBAGLBSA-N 449.236 4.346 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H](C)c2nc(-c3ccccc3)no2)CC1 760934338 YQRIRJSVWWFXSP-QGZVFWFLSA-N 449.511 4.415 5 20 IIBD COC(=O)c1cc(Br)cc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)c1Cl 763528492 UKSJNSIGZKICFQ-UHFFFAOYSA-N 449.591 4.328 5 20 IIBD C[C@H](OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(=O)Nc1ccc(Cl)cc1Cl 763869842 JNONJTMHBJSEHH-NSHDSACASA-N 449.250 4.271 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)Nc1ccc(N2CCCCC2)cc1 766230993 IIDCUXNEQPYXJS-INIZCTEOSA-N 448.479 4.317 5 20 IIBD O=C(COC(=O)c1ccc(Br)c(C(F)(F)F)c1)Nc1ccccc1[N+](=O)[O-] 768686460 MWEKRHZGPHYUFZ-UHFFFAOYSA-N 447.163 4.172 5 20 IIBD COc1cc(CN2CCC(C3(C)OCCO3)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 769399382 IJVRVDURYONMEP-UHFFFAOYSA-N 442.512 4.157 5 20 IIBD O=C(Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1Cl 772220971 PIEJPOWAJVRLIG-QGZVFWFLSA-N 425.876 4.144 5 20 IIBD COc1ccc2nc(Cl)c(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)cc2c1 775011001 FQABTMGRGYDZLE-UHFFFAOYSA-N 430.800 4.029 5 20 IIBD CCC(CC)[C@H](NS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1)c1ccccc1 777883337 JMJNANNUYZHFCZ-FQEVSTJZSA-N 447.513 4.007 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1 777933671 UEQAHZGAJHHCSE-GDLZYMKVSA-N 448.497 4.151 5 20 IIBD O=C(Nc1ccc(Cl)cc1NC(=O)c1ccco1)c1cc([N+](=O)[O-])c2nsnc2c1 778231463 FNMJFEDOUSUKOC-UHFFFAOYSA-N 443.828 4.351 5 20 IIBD O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 778797539 FZMPKJCRRAPWGK-GOSISDBHSA-N 442.859 4.053 5 20 IIBD O=C(OCc1cccc(C(=O)N2CCCCC2)c1)c1cc([N+](=O)[O-])ccc1OC(F)F 778891979 UIJBCSORTIEGJJ-UHFFFAOYSA-N 434.395 4.179 5 20 IIBD C[C@H]1CCCCN1Cc1ccc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 781624381 MKERSEVTFWUYTG-INIZCTEOSA-N 426.473 4.449 5 20 IIBD Cc1sc(CCNC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc1-c1ccccc1 781991459 SNAPIMQWFPZUQJ-UHFFFAOYSA-N 440.481 4.226 5 20 IIBD O=C(Nc1cc(Br)ccc1NC1CC1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781992846 BXCAWZKSHZARTO-SFHVURJKSA-N 445.273 4.063 5 20 IIBD CCc1cccc(N2C(=S)N[C@@H](c3ccc([N+](=O)[O-])s3)C(C(=O)N(C)C)=C2C)c1 782247768 DXADOYAPDSKCBB-SFHVURJKSA-N 430.555 4.017 5 20 IIBD Cc1ccc([C@@H](C)NCC2(CN[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)COC2)cc1[N+](=O)[O-] 782497980 RGLWJNMENBHGBT-QZTJIDSGSA-N 442.516 4.138 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1cccc(N2CCOC2=O)c1 785966814 NHOHFBREAXJELD-LBPRGKRZSA-N 448.273 4.113 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H](O)c1c(F)cccc1Cl 786412991 LWTIHVOUKACFKT-FVMDXXJSSA-N 445.672 4.310 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3CCN(c4cccc(Br)c4)C3)CC2)cc1 786953167 HTLYIVHCZDKUJV-GOSISDBHSA-N 445.361 4.195 5 20 IIBD O=C(O[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1)c1cnc(Oc2ccccc2)cn1 787023586 AODRQMBBVCMWQY-QGZVFWFLSA-N 438.415 4.142 5 20 IIBD Cc1oc(-c2ccco2)nc1CC(=O)O[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 787025419 KHZPOKRQABQIQL-OAHLLOKOSA-N 429.404 4.045 5 20 IIBD CCCO[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(I)c2)CC1 787809334 OIPFYCUKYPDXAM-CYBMUJFWSA-N 447.273 4.012 5 20 IIBD CCc1nc([C@@H](C)NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cs1 790713367 HZMJBLZUOTWREZ-SNVBAGLBSA-N 439.335 4.205 5 20 IIBD CCn1c([C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)nc2ccccc21 791218319 CCSQZDMYDIPSIL-GOSISDBHSA-N 425.464 4.147 5 20 IIBD COc1ccc(OC(=O)C[C@@H](NC(=O)c2ccc(C)cc2)c2ccccc2)cc1[N+](=O)[O-] 792120248 RKCVERHIHSSLNO-HXUWFJFHSA-N 434.448 4.379 5 20 IIBD CN(CC(=O)Nc1ccc(N2CCCC2)cc1)c1cc(Br)ccc1[N+](=O)[O-] 794947097 YKNXGWGLJFXJRY-UHFFFAOYSA-N 433.306 4.032 5 20 IIBD COCc1ccc(OC)c(S(=O)(=O)Oc2ccc(Cc3ccccc3)cc2[N+](=O)[O-])c1 795872602 JKPSQQPHIOJXJV-UHFFFAOYSA-N 443.477 4.108 5 20 IIBD COc1ccc(CCC(C)=O)cc1OS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 809840714 YTSULIZZFHBZKL-UHFFFAOYSA-N 448.280 4.200 5 20 IIBD CN1C(=O)CC[C@@H](c2nc(CCC(C)(C)[N+](=O)[O-])no2)[C@H]1c1ccc(C(F)(F)F)cc1 812811556 CBPOYOFGFBBLOR-RHSMWYFYSA-N 440.422 4.153 5 20 IIBD NC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1N1CCCCC1 812995166 HTDNNJCOMAKAQP-UHFFFAOYSA-N 437.283 4.243 5 20 IIBD Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 815215825 RKAPGSARSOAZNK-GOSISDBHSA-N 436.386 4.156 5 20 IIBD C[C@H](N[C@@H](C)c1ccc(Br)cc1OCCCO)c1ccc(N)c([N+](=O)[O-])c1 815627493 BYWVBMNCYCYWIT-STQMWFEESA-N 438.322 4.113 5 20 IIBD C[C@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)c1ccc(OC(F)F)cc1 844240136 PPBWPJMDRMXLPR-AWEZNQCLSA-N 448.422 4.227 5 20 IIBD CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NCc1ccc(C)c([N+](=O)[O-])c1 863996400 VLGQJKPWOXISOR-UHFFFAOYSA-N 434.562 4.368 5 20 IIBD CC(C)[C@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCOc2ccccc21 877053634 UQEVCQCGATYANB-LPHOPBHVSA-N 432.860 4.070 5 20 IIBD O=C(NCc1ccnc(OCc2ccccc2)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 917156167 YKADIWDHFVXKIC-UHFFFAOYSA-N 446.507 4.489 5 20 IIBD COc1ccccc1[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])NC(=O)OC(C)(C)C 917730990 GVUSAXGEZHOOSV-INIZCTEOSA-N 449.891 4.253 5 20 IIBD O=C(NCc1ccccc1OCc1ccccc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 918273849 VLXKKMXMEHDBHD-UHFFFAOYSA-N 439.855 4.082 5 20 IIBD CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)OC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1 919513983 IWCJOIWJTGYINL-GFCCVEGCSA-N 435.392 4.209 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N(C2CC2)[C@H]2CCc3ccccc32)cc1Br 919728323 OAURWMWBYISNRM-KRWDZBQOSA-N 437.315 4.198 5 20 IIBD O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCO[C@@H](c2ccc(Br)cc2)C1 920295958 JGQUDTSTKVOVLK-MRXNPFEDSA-N 425.666 4.224 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)CC2c3ccccc3Oc3ccccc32)ccc1[N+](=O)[O-] 1116080452 IXWMHSMRQBBEMS-UHFFFAOYSA-N 438.461 4.036 5 20 IIBD O=C(O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1nc(C2CC2)n(-c2ccccc2)n1 1254197270 VKVCQDRUBMDMJH-NRFANRHFSA-N 441.447 4.394 5 20 IIBD C[C@@H](c1nn(CN2Cc3ccc([N+](=O)[O-])cc3C2)c(=S)n1-c1ccc(F)cc1)N(C)C 1318779520 QZMXOUOFYPMVAT-AWEZNQCLSA-N 442.520 4.046 5 20 IIBD O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N[C@H]1CCCc2c1cnn2Cc1ccccc1 1336945278 AQVKGJWLRSSOFY-NRFANRHFSA-N 431.496 4.221 5 20 IIBD CN(C)c1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CCC2)cc1 1785749761 LVHZMLOETBOPLH-UHFFFAOYSA-N 448.479 4.315 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)[C@@H]3[C@H]4C=CS[C@@H]43)CCC2)cc1 1785795505 RTZSFWXZKQYPQJ-FCEUIQTBSA-N 449.532 4.147 5 20 IIBD Cn1ccc(C(=O)NC2(c3ccc(NC(=O)CCc4cccc([N+](=O)[O-])c4)cc3)CCC2)c1 1786601643 HMXQBCLLEKJRJR-UHFFFAOYSA-N 446.507 4.314 5 20 IIBD COc1cc(CC(=O)NC2(c3ccc(NC(=O)C(C)(C)F)cc3)CCC2)ccc1[N+](=O)[O-] 1787941680 UMTRXZWMKOXPBZ-UHFFFAOYSA-N 443.475 4.028 5 20 IIBD O=C(Cc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC1CCCC1 1795409517 WCYMEYPLWMIJDF-REPLKXPHSA-N 433.936 4.009 5 20 IIBD Cc1cc(C)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2ccc(C)c([N+](=O)[O-])c2)c(C)c1 1800141604 WOADVYGPZFLHSH-KOUNCHBCSA-N 449.551 4.323 5 20 IIBD CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc([N+](=O)[O-])o3)n[nH]2)cc1 1814311462 LMZTWCHNGDKSNN-QGZVFWFLSA-N 437.456 4.093 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)[nH]n1)C1CCCCC1 1816702449 ARNAULXJNRJXBM-HXUWFJFHSA-N 439.516 4.133 5 20 IIBD C/C=C(\C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1831344001 LCINJORAFNWUJL-CBEUYICDSA-N 425.529 4.194 5 20 IIBD Cc1cc(OCC(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)ccc1Cl 16014896 INKBAQMREQZQGN-UHFFFAOYSA-N 444.875 4.423 5 20 IIBD CCCCc1ccc(-n2nnnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 20788978 BHMKBMHYYLHVKQ-UHFFFAOYSA-N 446.920 4.297 5 20 IIBD C[C@@H](OC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)N(Cc1ccccc1)Cc1ccccc1 21348260 ADILSTWMKDJIQE-LJQANCHMSA-N 432.476 4.298 5 20 IIBD COc1ccc(Cl)cc1CC(=O)OCc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] 25280195 YVQIUPFBMNDVON-UHFFFAOYSA-N 431.775 4.153 5 20 IIBD CCN(C(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1)C1CCCCC1 30476258 XZAMIPQLJDAFRL-UHFFFAOYSA-N 445.541 4.499 5 20 IIBD COc1ccc(C)cc1-c1csc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)n1 33227823 AKMZIXAFOBHZPY-UHFFFAOYSA-N 435.465 4.473 5 20 IIBD CC(C)COC(=O)N1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 110094581 JQNSGXDJDYEQRY-UHFFFAOYSA-N 441.484 4.328 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N(CCc1ccccc1)Cc1ccncc1 116482689 YYDPRJITFOTPFK-UHFFFAOYSA-N 427.464 4.061 5 20 IIBD Cc1nc(N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c2c(CC(C)C)csc2n1 301087005 HXYCWYMJPJAEPP-UHFFFAOYSA-N 445.570 4.130 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1Sc1nnc(-c2cccc(Cl)c2)o1 301234866 JUJQNUHWAAOUMC-UHFFFAOYSA-N 447.828 4.446 5 20 IIBD CS(=O)(=O)c1cccc(NCc2ccc(Cn3cnc4ccccc43)cc2)c1[N+](=O)[O-] 301894919 POKKHNCXCUSXSK-UHFFFAOYSA-N 436.493 4.008 5 20 IIBD O=C(N[C@H]1CCc2c(Br)cccc21)c1cc(O)nc2ccc([N+](=O)[O-])cc12 303423784 ADLRAPJRLFHZHJ-INIZCTEOSA-N 428.242 4.028 5 20 IIBD O=C(c1ccc(C(=O)N2CCC[C@H]3CCC[C@H]32)cc1[N+](=O)[O-])N1CCC[C@@H]2CCC[C@@H]21 426780811 VQFGFKNQTZTLHE-OVQGTLEDSA-N 425.529 4.404 5 20 IIBD COCCN(C(=O)c1ccnn1C1CCCC1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 428345352 ILRUIPIBAJIFHR-UHFFFAOYSA-N 441.513 4.323 5 20 IIBD O=C(NCc1c(F)cc(F)c(F)c1F)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 435916809 JZYKGJVPQXYNRJ-UHFFFAOYSA-N 436.311 4.446 5 20 IIBD O=C(NCc1ccn(-c2ccccc2)n1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436072597 AGADPYFDIOFHBD-UHFFFAOYSA-N 430.414 4.075 5 20 IIBD CN(c1ccccc1NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CCCC1 437062844 YNODPXNRLIDDIB-UHFFFAOYSA-N 436.512 4.103 5 20 IIBD C[C@@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H](OC1CCOCC1)c1ccccc1 437434084 TWNSEIJIOXHJKW-VGSWGCGISA-N 441.528 4.455 5 20 IIBD CC(=O)c1ccc(OCc2noc(Cc3ccc(Br)cc3)n2)c([N+](=O)[O-])c1 440815642 KAFUIRWBTWMKKL-UHFFFAOYSA-N 432.230 4.113 5 20 IIBD CC(=O)c1ccc(OCC(=O)N2CCc3sccc3[C@H]2c2ccccc2)c([N+](=O)[O-])c1 440870959 UXVBGUHDRLENLW-HSZRJFAPSA-N 436.489 4.412 5 20 IIBD C[S@](=O)Cc1cccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 444027622 FNMSCELHQIKRJN-PMERELPUSA-N 426.444 4.090 5 20 IIBD CCO[C@@H]1C[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@H]1Oc1ccccc1 444342574 XSFMLJTWIOTQBL-JBRSBNLGSA-N 428.488 4.036 5 20 IIBD Cc1ccc(-c2cc(-c3nc(-c4c([N+](=O)[O-])nc(C)n4C)no3)c3c(C)noc3n2)cc1 445608470 BONQPGPTOFXALH-UHFFFAOYSA-N 431.412 4.174 5 20 IIBD O=[N+]([O-])c1ccc2nc(CNC3(c4cccc(OC(F)(F)F)c4)CCOCC3)[nH]c2c1 447327003 VIUWPXWWTXCSDO-UHFFFAOYSA-N 436.390 4.165 5 20 IIBD Cc1cc(N2CCC(Nc3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])CC2)nc(C)n1 447678027 XSVPPZWTFZNBDE-UHFFFAOYSA-N 446.380 4.132 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1cccc(-c2noc(C3CC3)n2)c1 447723824 RJTWZMJXGRSVBD-UHFFFAOYSA-N 431.408 4.088 5 20 IIBD O=[N+]([O-])c1ccc2nc(N3CCCN(Cc4csc(-c5cccs5)n4)CC3)[nH]c2c1 460344349 ZTOBTLSFFNNXRQ-UHFFFAOYSA-N 440.554 4.368 5 20 IIBD CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O 460529016 XAHWSFIFYUWFAW-FQEVSTJZSA-N 448.523 4.241 5 20 IIBD CSC1(CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CCN(C)CC1 460968532 IQRCHBMSTNCCDR-UHFFFAOYSA-N 431.583 4.303 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@](CO)(c3ccccc3)C2)cc1OC 463364226 CRHZFQDJWZKYEH-KOSHJBKYSA-N 428.529 4.164 5 20 IIBD C[C@@H](CC(F)(F)F)NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 464272033 AITIGSBONLEIOF-AWEZNQCLSA-N 432.402 4.447 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CCCC3(CCCCCC3)C2)ccc1[N+](=O)[O-] 464662827 JCUGRCXKYGQHDE-OAQYLSRUSA-N 427.545 4.471 5 20 IIBD CCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 465031714 OSSHEVIOTSUHJW-UHFFFAOYSA-N 440.374 4.355 5 20 IIBD COc1ccc(CN(Cc2ccccc2)C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 465077225 ZHAYIMQFTQXOHI-UHFFFAOYSA-N 448.475 4.146 5 20 IIBD O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1CCC(OCCO)CC1 467992183 FDZXKXOSVWFJOQ-UHFFFAOYSA-N 436.917 4.013 5 20 IIBD CCN(CC)[C@@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1ccccc1Cl 468331910 XVCCJQVWWAHVRN-SFHVURJKSA-N 425.938 4.147 5 20 IIBD Nc1c(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cccc1[N+](=O)[O-] 468528722 DJBZGZCRCVRIHC-UHFFFAOYSA-N 428.807 4.474 5 20 IIBD C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 469021482 RFPRGVQSWJNZDD-LBPRGKRZSA-N 449.385 4.100 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3c[nH]cc3-c3ccccc3F)CC2)ccc1[N+](=O)[O-] 477386256 UZFDYGYCYGVQTR-UHFFFAOYSA-N 438.459 4.090 5 20 IIBD O=C(N[C@H]1CCCc2ccc(F)cc21)c1ccc([N+](=O)[O-])cc1I 477485034 ZTDCLZBCIFXZML-INIZCTEOSA-N 440.212 4.146 5 20 IIBD Cc1nc(-c2ccc(S(=O)(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)s2)cs1 478344334 SPBMOLYPVSUQEY-UHFFFAOYSA-N 435.552 4.442 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1CC[C@H](N2CCCC2=O)C1 481280225 WEBKDXWNUOKFHG-INIZCTEOSA-N 445.928 4.236 5 20 IIBD COc1cc(CN(C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)ccc1OCc1ccccc1 481671308 MQDQVMTZPJAEIU-UHFFFAOYSA-N 446.463 4.331 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)cc1SC 482993735 XVYBDGOZNSISQT-UHFFFAOYSA-N 437.905 4.369 5 20 IIBD COC(=O)c1cc(NC(=O)NCc2nc3cc(Cl)ccc3s2)c(C)c([N+](=O)[O-])c1 486896153 LCQNDLCESTWEST-UHFFFAOYSA-N 434.861 4.275 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)CCN(C)C)cc1 488284673 XJDDSSRUWJXBLJ-UHFFFAOYSA-N 444.557 4.485 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2cc(C)ccc2OC)nnc1-c1ccc([N+](=O)[O-])cc1 489462968 ZAVFDRPOKDANIE-AWEZNQCLSA-N 441.513 4.310 5 20 IIBD Cc1cc(S(=O)(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)ccc1[N+](=O)[O-] 490046400 VPSVTJSHIYVUDL-FZKQIMNGSA-N 444.431 4.073 5 20 IIBD CCN(C(=O)c1cc(NC(=O)NCc2cc([N+](=O)[O-])ccc2OC)ccc1Cl)C(C)C 490490742 HLZVYWZISFAOOA-UHFFFAOYSA-N 448.907 4.449 5 20 IIBD CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)cc21 490902052 KUNVSWPHPORVLF-UHFFFAOYSA-N 440.500 4.197 5 20 IIBD CN1[C@H]2CC[C@H]1CN(C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)CC2 491075347 LCEUMRQQVSMXAV-WMZOPIPTSA-N 428.920 4.169 5 20 IIBD CC(C)COC[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccco1 494905510 UVUCVZSKVAABKT-MRXNPFEDSA-N 429.395 4.420 5 20 IIBD O=[N+]([O-])c1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1 497940081 WCZPFHXJQOOSAF-HNNXBMFYSA-N 436.408 4.189 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCc2cccc(CN3CCCCCC3)c2)cc1OC 499398151 SVVJHVZNPXFJJQ-UHFFFAOYSA-N 441.528 4.308 5 20 IIBD Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 500888462 ADWPCQWREHHCNA-UHFFFAOYSA-N 448.361 4.243 5 20 IIBD CCOc1cc(NC(=O)C2CCN(c3nc(C)cs3)CC2)c([N+](=O)[O-])cc1OCC 501964785 VZLRMHYEDZMAMF-UHFFFAOYSA-N 434.518 4.012 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCN(c2ncc(Cl)cc2Cl)CC1 502462449 MZZZLTKRDOBTLQ-UHFFFAOYSA-N 437.308 4.474 5 20 IIBD CC[C@H]1CCc2nc(NC(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)sc2C1 503010309 AZCKEMJKOBVJPA-NSHDSACASA-N 444.542 4.098 5 20 IIBD CC[C@H](C)n1c(SCC(=O)NCCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1 504064094 ZFKNLFWECCZIMC-INIZCTEOSA-N 439.541 4.275 5 20 IIBD Cc1ccc(NC(=O)c2nnc(CN(Cc3ccc([N+](=O)[O-])cc3)C(C)C)s2)cc1 505603962 DNYIDQQCJYNUAG-UHFFFAOYSA-N 425.514 4.418 5 20 IIBD Cc1nnc(Sc2ccc(NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc34)c(C)c2)s1 505839892 PNXTVJNTGVUQEG-UHFFFAOYSA-N 426.483 4.343 5 20 IIBD O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 506185333 AKKVSDXIFGXAJG-CYBMUJFWSA-N 428.832 4.024 5 20 IIBD COc1ccc(NC(=O)CN2CCC(C)(c3nc4ccccc4s3)CC2)c([N+](=O)[O-])c1 511124958 MZAPSZJLOPESOZ-UHFFFAOYSA-N 440.525 4.205 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CC[C@H]1c1ccc(Cl)cc1 511238517 DMAMNVBGOYGQKQ-ZDUSSCGKSA-N 431.695 4.146 5 20 IIBD COc1ccc(CSCC(=O)Nc2c(C)cccc2C(=O)N2CCCC2)cc1[N+](=O)[O-] 512342183 SYSDFWXLNOYGDK-UHFFFAOYSA-N 443.525 4.020 5 20 IIBD CCOc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2CC)c([N+](=O)[O-])c1 514290564 HYIPKBAGVXHQFQ-UHFFFAOYSA-N 441.513 4.311 5 20 IIBD O=C(COc1ccc(Oc2ccccn2)cc1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 515098122 HNEBICULOBAXII-UHFFFAOYSA-N 431.351 4.401 5 20 IIBD COc1c(Br)cc(Cl)cc1NC(=O)CCOc1ccccc1[N+](=O)[O-] 517883159 HLZJRHHYDUKKPU-UHFFFAOYSA-N 429.654 4.427 5 20 IIBD CCCOc1ccc(-c2csc(NC(=O)CCn3nc(C)c([N+](=O)[O-])c3C)n2)cc1 522485493 LXHUHZKMVRYQRD-UHFFFAOYSA-N 429.502 4.349 5 20 IIBD Cc1cc(S(=O)(=O)N(C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)ccc1[N+](=O)[O-] 523757555 PLZNVSRSYJFEDM-UHFFFAOYSA-N 446.447 4.282 5 20 IIBD COc1cc(C(=O)NCc2ccc(-c3ccc4c(c3)CCO4)cc2)cc([N+](=O)[O-])c1OC 525026446 HDEFEHXRBOVNNI-UHFFFAOYSA-N 434.448 4.144 5 20 IIBD Cc1ccc(NC(=O)C(=O)NCc2ccccc2[N+](=O)[O-])cc1OCC1CCCCC1 525514110 GOBANRVGDSVAIM-UHFFFAOYSA-N 425.485 4.117 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N[C@@H](CO)c2ccccc2C)c([N+](=O)[O-])c1 531095839 RKTATMKJUYQRTR-NRFANRHFSA-N 434.448 4.066 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1nnc(SCc2cccs2)s1 534063676 CXZWCKOGMNKDBO-UHFFFAOYSA-N 431.524 4.463 5 20 IIBD O=C(Nc1cc(Br)cc(Cl)c1O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 534207065 ZEXUYRYKQSVKSL-UHFFFAOYSA-N 438.621 4.222 5 20 IIBD O=[N+]([O-])c1cnc(N2CCC3(CCN(Cc4ccccc4)C3)CC2)c(Br)c1 534979270 KTEHYULQAXLGTA-UHFFFAOYSA-N 431.334 4.245 5 20 IIBD CSc1ccc(NC(=O)Cn2cc(Nc3ccc([N+](=O)[O-])c4cccnc34)cn2)cc1 536645766 SUTYLOHCULPPSO-UHFFFAOYSA-N 434.481 4.444 5 20 IIBD CCN(CC)C(=O)CCC1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 542072517 IQTBRUKABWWULN-UHFFFAOYSA-N 444.557 4.219 5 20 IIBD CCC(C)(C)OCc1ccccc1NC(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 542599704 AXNSBPCOZAFTBN-UHFFFAOYSA-N 447.919 4.251 5 20 IIBD CCCS(=O)(=O)Nc1ccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1 544197374 OUSOMMIDXZDKOS-UHFFFAOYSA-N 443.934 4.131 5 20 IIBD COc1ccc(-c2nc(CSc3nc4cc([N+](=O)[O-])ccc4c(=O)n3C)cs2)cc1 545835479 SMIQJWHGOZZTTQ-UHFFFAOYSA-N 440.506 4.266 5 20 IIBD O=[N+]([O-])c1ccc2[nH]nc(-c3nc(Cc4c[nH]c5cccc(Br)c45)no3)c2c1 546485106 FTRNNQYMLZSTSL-UHFFFAOYSA-N 439.229 4.356 5 20 IIBD Cc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)cc1NC(=O)c1ccccc1F 546486424 MIWKHWRASOGMOP-UHFFFAOYSA-N 433.399 4.330 5 20 IIBD Cc1cc(C)n(-c2ccc(Cc3noc(-c4ccn(-c5ccccc5[N+](=O)[O-])n4)n3)cc2)n1 546953836 LQPMJXLYDMICDW-UHFFFAOYSA-N 441.451 4.224 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@@](CO)(C(C)C)C2)c([N+](=O)[O-])c1 550433755 UVXIUPGYEJKANU-ISKFKSNPSA-N 425.529 4.314 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)NCc1cnc(-c2ccc(Cl)cc2)s1 560113576 JCYWAKHJBXATNA-UHFFFAOYSA-N 432.889 4.250 5 20 IIBD CC[C@@H](NCc1cc(I)cc([N+](=O)[O-])c1)c1ccc(OC)cc1 564389466 GMWFIRDBWTYBHR-QGZVFWFLSA-N 426.254 4.449 5 20 IIBD CC(=O)c1cc(Br)ccc1OCC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 564478581 AHNKKHDBVDLAGY-UHFFFAOYSA-N 447.285 4.130 5 20 IIBD CN(Cc1ccc(OC(F)F)cc1)C(=O)COc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 566626950 VGMAFDYBIKENAL-UHFFFAOYSA-N 434.317 4.252 5 20 IIBD O=C(NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)c1ccc(Cl)cc1[N+](=O)[O-] 571692570 HWYDPSYSUFVYFS-UHFFFAOYSA-N 440.765 4.333 5 20 IIBD COc1cc(-c2noc([C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)ccc1F 572522929 SWRUJHCMDRTOCH-KRWDZBQOSA-N 426.404 4.078 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(N(C(C)=O)[C@H]3C[C@@H]3C)cc2)cc1OC 573128751 NHLIBMDLMVGRJW-UGSOOPFHSA-N 427.457 4.016 5 20 IIBD CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 577753710 CASKBSUTCNMQPM-APPDUMDISA-N 425.254 4.311 5 20 IIBD COc1ccc([C@@H](Cc2ccccc2)NCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 577989521 GSUVDNLYUHVERU-JOCHJYFZSA-N 435.480 4.124 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@H]1CCOC1)N1CCOc2ccc([N+](=O)[O-])cc2C1 580262011 FTIWYLOBQDPKSA-AWEZNQCLSA-N 447.875 4.090 5 20 IIBD O=[N+]([O-])c1cccc(OC[C@@H](O)CNC[C@H](c2ccccc2)c2c[nH]c3ccccc23)c1 583708580 HEYZEOWLFIYZNE-NZQKXSOJSA-N 431.492 4.238 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@H](C)c3ccc4nc(O)[nH]c4c3)cc2[N+](=O)[O-])C1 603918842 UDWCTBFILNRYNB-RBSFLKMASA-N 437.500 4.150 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCc2csc(C)n2)cc1[N+](=O)[O-] 603919345 VSXPVJWOHLNUIO-UHFFFAOYSA-N 427.507 4.243 5 20 IIBD CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC1 603932086 RJWSMWJKSHBEQG-FQEVSTJZSA-N 439.512 4.226 5 20 IIBD CC(C)NC(=O)c1ccc(Cl)c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 603975386 XIEQXSJRASNULI-UHFFFAOYSA-N 430.892 4.239 5 20 IIBD NC(=O)c1ccc(SCC(=O)Nc2ccc(Oc3cccc(F)c3)cc2)c([N+](=O)[O-])c1 604017854 MDVDUQHHMQPHGH-UHFFFAOYSA-N 441.440 4.356 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)cc2)C[C@@H](C)O1 604022205 LLDYYRBPLPFVBU-IYBDPMFKSA-N 439.512 4.394 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)ccc1[N+](=O)[O-] 608811480 ZPOHUCZRKPIHQS-HXUWFJFHSA-N 449.511 4.320 5 20 IIBD COc1ccc(CCN(Cc2ccccc2)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 608922085 OWMMZIWWIOGFRI-UHFFFAOYSA-N 447.491 4.122 5 20 IIBD O=C(CSC[C@H]1CCCCO1)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 609817057 LDONRDDPZYQDGE-QGZVFWFLSA-N 442.497 4.281 5 20 IIBD CC(=O)c1cccc(OCC(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)c1 609817081 MGSLXCVMTXYBPR-UHFFFAOYSA-N 446.419 4.261 5 20 IIBD O=C([C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 609841655 XCAOLQVAHGCJHV-RYQLBKOJSA-N 449.536 4.362 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)cc1SC 610122425 ULWFLNVYFFWKIA-MRXNPFEDSA-N 429.542 4.062 5 20 IIBD COC(=O)CCCOc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 610287888 XYIYMYGGGOTGGF-UHFFFAOYSA-N 427.240 4.486 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(COC(C)(C)C)cc2)cc1[N+](=O)[O-] 610624602 LDMHSGXMGXRHLB-UHFFFAOYSA-N 441.513 4.442 5 20 IIBD Cc1ccc2[nH]c3c(c2c1)CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)CC3 610665536 DHZYHYYYGXGPEF-UHFFFAOYSA-N 428.286 4.274 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC(Oc2ccccc2Cl)CC1 611090036 IFRKFLKHRQFOCV-UHFFFAOYSA-N 431.876 4.090 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccn([C@H](C)c2ccccc2)n1 611207136 FUHYIPZYIVBCIN-OAHLLOKOSA-N 426.498 4.391 5 20 IIBD O=C(C[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)c1ccco1 611215925 JUCSCDGGNKEGHT-MRXNPFEDSA-N 444.509 4.337 5 20 IIBD O=[N+]([O-])c1cc2c(cc1CN1CCC[C@H](c3nc(C(F)(F)F)cs3)C1)OCCO2 611274846 QFWAWUHJQXMPOK-NSHDSACASA-N 429.420 4.221 5 20 IIBD COc1cc(C(=O)Nc2cc(O)c(C)cc2C)c([N+](=O)[O-])cc1OCc1cscn1 613031993 WNRFRCOSWGDJNZ-UHFFFAOYSA-N 429.454 4.214 5 20 IIBD O=C(NCc1cccc(OCc2ccccn2)c1)c1sc(Br)cc1[N+](=O)[O-] 618353145 ONUNIWGWMYRYHO-UHFFFAOYSA-N 448.298 4.323 5 20 IIBD CCOc1cc(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)c([N+](=O)[O-])cc1OCC 619212789 AUDLLHSYMUHISZ-UHFFFAOYSA-N 447.875 4.425 5 20 IIBD Cc1cc(C(=O)[C@@H](C)OC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])c(C)n1Cc1ccco1 725937003 NXENKGOZPFWILZ-CYBMUJFWSA-N 432.379 4.361 5 20 IIBD C[C@H](OC(=O)c1cccnc1S[C@H](C)C(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 726325386 DJHDGMZWVIJMSA-LSDHHAIUSA-N 429.498 4.011 5 20 IIBD Cc1ccc(NC(=O)c2cccc(OS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)c2)cc1 727460190 GPFNMDIMQUEFLV-UHFFFAOYSA-N 426.450 4.232 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1SC 728475895 LGRWDCMTAJJNMJ-UHFFFAOYSA-N 444.387 4.140 5 20 IIBD COc1ccccc1[C@@H](C)CC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 728660502 BELVCPLKQCVRDE-LBPRGKRZSA-N 440.374 4.298 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)Cc1cccc(OCc2ccccc2Cl)c1 730074057 KJIQTJQDTLZWOC-UHFFFAOYSA-N 429.860 4.118 5 20 IIBD Cc1cc(CNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])ccc1Oc1ccc(F)cc1 731620939 VJURNXUNDRZEJC-UHFFFAOYSA-N 438.411 4.342 5 20 IIBD COc1ccc(C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc1[N+](=O)[O-] 732027024 ICQJPQLWLUNXTK-UHFFFAOYSA-N 427.457 4.149 5 20 IIBD COc1ccc2c(C)c(CCC(=O)OCc3ccc(Cl)cc3[N+](=O)[O-])c(=O)oc2c1 734886493 ZADNFDJPMIIRAJ-UHFFFAOYSA-N 431.828 4.348 5 20 IIBD O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)OCc1ccc(Cl)cc1[N+](=O)[O-] 734886900 FRXAOEVSHZAGKI-OAHLLOKOSA-N 427.265 4.448 5 20 IIBD O=C(Cc1csc(NC(=O)c2ccccc2)n1)OCc1ccc(Cl)cc1[N+](=O)[O-] 734890794 YHINTSPTXFMPQS-UHFFFAOYSA-N 431.857 4.243 5 20 IIBD C[C@@H](OC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)C(=O)c1ccc(Br)cc1 735353314 FJTMEHRXIHKSPN-SNVBAGLBSA-N 445.225 4.039 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1csc(CNC(=O)OC(C)(C)C)n1 735644745 RFKLRGDRSSPQKU-UHFFFAOYSA-N 427.866 4.257 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCc2cc([N+](=O)[O-])ccc21 735996497 SJAIZBHMNDASBF-UHFFFAOYSA-N 448.222 4.198 5 20 IIBD CCc1nc(C)c([C@@H](C)OC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)s1 741137961 NUAKNKKZVSMHCF-LLVKDONJSA-N 433.515 4.120 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccc(CCn2cc(Br)cn2)cc1 741609704 NRVMWDSCIMIGNZ-YHYXMXQVSA-N 441.285 4.448 5 20 IIBD Cc1sc(NC(=O)C(C)C)c(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1C 744937964 UEVXXCOZATZXOB-GFCCVEGCSA-N 433.486 4.052 5 20 IIBD CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 745497533 VUCYJPMRKAZHLW-UHFFFAOYSA-N 442.403 4.126 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C(=O)N1CCCCC1)c1ccccc1 746154294 QFNAIGAMYLJVLP-JXFKEZNVSA-N 428.510 4.372 5 20 IIBD Cc1c(C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748617001 CMYVSVXQGSZSHL-UHFFFAOYSA-N 447.469 4.088 5 20 IIBD O=C(COC(=O)c1cc(Cl)ccc1OC(F)F)Nc1cc([N+](=O)[O-])ccc1Cl 748917160 IYRFFKUOXFAXSY-UHFFFAOYSA-N 435.166 4.299 5 20 IIBD CSc1cccc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1 748951349 PNDYMRJTKJIDDL-GFCCVEGCSA-N 433.442 4.026 5 20 IIBD C[C@H](OC(=O)Cc1csc(-c2ccc(F)c(F)c2)n1)C(=O)Nc1ccccc1[N+](=O)[O-] 750168506 WMCGIRODIBMDHD-NSHDSACASA-N 447.419 4.109 5 20 IIBD COc1ccc([C@H](C)CC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 750539539 JJSBRNZCVKOBKH-GFCCVEGCSA-N 440.374 4.298 5 20 IIBD Cc1noc([C@H](OC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c2ccccc2)n1 750869504 MCLFBPHMXGIGIU-OAQYLSRUSA-N 436.468 4.469 5 20 IIBD C[C@@]1(c2ccccc2)CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)CCO1 750903914 AQGWUYABOQNRMA-SFHVURJKSA-N 439.693 4.399 5 20 IIBD COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2cc([N+](=O)[O-])ccc2Br)c1 751107032 HOHMYQGGYJXRCX-QGZVFWFLSA-N 449.301 4.187 5 20 IIBD CCC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1cccc(N2CCCC2)c1 751243546 FTZWZVQLGAPTJZ-FQEVSTJZSA-N 444.919 4.386 5 20 IIBD CC(C)(NC(=O)c1cnn(-c2ccccc2)c1Br)c1ccc([N+](=O)[O-])cc1 753836439 MBKHXZHESZBIGL-UHFFFAOYSA-N 429.274 4.208 5 20 IIBD CCN(C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccc(S(=O)(=O)C(F)(F)F)cc1 754202369 VWGBDWHBUQPTJU-NSHDSACASA-N 448.394 4.184 5 20 IIBD CCOc1cc(N2CCC(OC(=O)C[C@@H](C)c3c(C)noc3C)CC2)ccc1[N+](=O)[O-] 754537198 UMBKTPGPODPDEO-CQSZACIVSA-N 431.489 4.304 5 20 IIBD O=C(N[C@H](c1ccccc1)c1ccccn1)c1cc(F)cc([N+](=O)[O-])c1Br 754628990 HKHVWHGRMAWGFH-GOSISDBHSA-N 430.233 4.411 5 20 IIBD COc1ccc(C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1-c1ccccn1 755014024 IKWMMOQVIRQDTK-UHFFFAOYSA-N 432.392 4.072 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc3c(c2)-c2ccccc2C3)c([N+](=O)[O-])c1 755884059 RIVWLGNICGGGAC-AWEZNQCLSA-N 432.432 4.359 5 20 IIBD Cc1nc2ccccc2n1C[C@@H]1CCCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 756626301 STGIOMUFBORVLY-INIZCTEOSA-N 427.892 4.009 5 20 IIBD COCCO[C@@H]1CCCN([C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C1 760967210 DEQLGVUGPKXHPD-NQIIRXRSSA-N 447.919 4.055 5 20 IIBD Cc1ccccc1-c1nc(COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)no1 761063635 GHIXULYRVPWVDB-UHFFFAOYSA-N 425.444 4.257 5 20 IIBD COC(=O)c1ccc(OC(=O)c2ccc(Sc3ccccc3Cl)nn2)cc1[N+](=O)[O-] 763707264 FXAWMFYIXWAJCY-UHFFFAOYSA-N 445.840 4.195 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc2c(cc1Br)OCCO2 764157076 VEYCFXXTWXORRI-UHFFFAOYSA-N 439.287 4.493 5 20 IIBD C[C@H](C(=O)Nc1ccccc1Br)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 764303230 JYWBHSJDQZVLED-LLVKDONJSA-N 426.698 4.470 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2nnc(S)n2C(C)C)CC1 765495425 JNLQYVAJSJJWRR-MRXNPFEDSA-N 431.562 4.031 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)c1ccc(OS(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1 767597598 OSCCPCJGDXJCCX-AWEZNQCLSA-N 436.486 4.089 5 20 IIBD CCc1nnc(COC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])n1C 767739229 ALLNGZQSBITEKR-UHFFFAOYSA-N 432.889 4.447 5 20 IIBD O=C(COC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])NCC(F)(F)F 767743983 WAXZSYROHWDZEC-UHFFFAOYSA-N 448.806 4.235 5 20 IIBD CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2cnc(C3CCCC3)s2)NC(=S)N1 767869896 PFBKDLUMEMTKRE-QGZVFWFLSA-N 443.554 4.140 5 20 IIBD CC(C)CS(=O)(=O)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 767963041 NZZSNNSIWKLHQH-UHFFFAOYSA-N 428.919 4.115 5 20 IIBD CC(=O)[C@H](Cc1c(F)cccc1F)OC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 768642345 DWDPGUBGTBTRAT-ZMZPIMSZSA-N 427.787 4.037 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)O[C@@H](C)C(=O)Nc1ncc(Cl)cc1Cl 769887225 IIYRYGOQTDWFMZ-NSHDSACASA-N 426.256 4.406 5 20 IIBD C[C@H](Nc1ccc(C(=O)Oc2cc(F)cc([N+](=O)[O-])c2)cc1[N+](=O)[O-])c1ccccn1 771486804 PKDGYKKYNJMJBK-LBPRGKRZSA-N 426.360 4.429 5 20 IIBD CCn1c(S)nnc1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)CC1 775537281 MKAXICHLBODUFE-UHFFFAOYSA-N 435.575 4.015 5 20 IIBD CC(=O)N(CCC(=O)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])Cc1ccccc1 776130344 AGUYHWAMJCBKIJ-XMMPIXPASA-N 433.464 4.061 5 20 IIBD O=C(CCCOc1ccc2c(c1)OCO2)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776131930 BTQYGYRIUKZCLJ-HSZRJFAPSA-N 436.420 4.210 5 20 IIBD O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C/c1cnn(Cc2ccc(C(F)(F)F)cc2)c1 777402775 OMTYBEUDTCBKEP-QGMBQPNBSA-N 442.353 4.203 5 20 IIBD CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1 777838003 KMTCWLNNIOHXCP-UHFFFAOYSA-N 437.399 4.473 5 20 IIBD CN(Cc1cccc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c1)Cc1cscn1 777992864 CJZZOUMTOOFLHC-UHFFFAOYSA-N 432.452 4.414 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@H]2CC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 778040366 JVELAMWLEULNFH-HNNXBMFYSA-N 440.880 4.122 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(CS(=O)(=O)c2ccccc2)o1 778093712 PCLYKGOPTXUBPA-UHFFFAOYSA-N 435.841 4.172 5 20 IIBD COc1cc(CN[C@@H]2CCCc3cn(C(C)C)nc32)c([N+](=O)[O-])cc1OCC(F)(F)F 780763588 AFFFCEODRRFLKT-OAHLLOKOSA-N 442.438 4.489 5 20 IIBD COC(=O)[C@@H](Cc1ccc(Cl)cc1)OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 781259870 JGWBROPUQLBURJ-OAQYLSRUSA-N 435.863 4.276 5 20 IIBD CC(=O)Nc1cccc(NC(=S)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c1 789348025 IHICRTBQMZOJQS-UHFFFAOYSA-N 449.330 4.071 5 20 IIBD CC(C)[C@@H]1C[C@@H](CC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCO1 791173206 BNXWMZJQWBBNPT-UGSOOPFHSA-N 425.323 4.083 5 20 IIBD COc1ccc([C@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2)cc1 791421823 RSKHNUUQTWAJIN-LBPRGKRZSA-N 431.297 4.088 5 20 IIBD COC1(CC(=O)O[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)CCC1 791514842 VOQJCDIPKMIMQY-IBGZPJMESA-N 432.860 4.430 5 20 IIBD CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 792087560 WTGKBUKHSXKJPN-YWZLYKJASA-N 437.449 4.020 5 20 IIBD Cc1cc([C@H]2CCCN2S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])ccc1Br 797460729 VFJRHNKUHAMIDE-OAHLLOKOSA-N 443.294 4.331 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 800605920 WZJTZTNYTMWXIR-UHFFFAOYSA-N 442.422 4.007 5 20 IIBD O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 806219252 MPWWJFLBDDKNJN-CYBMUJFWSA-N 435.305 4.070 5 20 IIBD COc1ccc(Cc2noc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)n2)cc1OC(F)F 809344216 WPWWTQNLCSSIMG-UHFFFAOYSA-N 446.410 4.446 5 20 IIBD Cc1c(Cc2noc(-c3cnc4ncc(Br)cc4c3)n2)cccc1[N+](=O)[O-] 809436266 ZPPOWZVAWVVTLU-UHFFFAOYSA-N 426.230 4.250 5 20 IIBD COc1ccc(Cl)cc1NC(=O)CCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl 809920541 VNWWWDSTIXWAIH-UHFFFAOYSA-N 427.244 4.061 5 20 IIBD COc1ccc(C(=O)N2CCCC2)cc1NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 812947222 LQNPBZIWKZZMSU-UHFFFAOYSA-N 438.267 4.399 5 20 IIBD CC(C)[C@@H](c1ccccc1)S(=O)(=O)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 816112529 WSTGOXHOQJZRHX-QHCPKHFHSA-N 434.517 4.138 5 20 IIBD CCOC(=O)[C@H](c1ccc(Cl)cc1)N(CC)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 818105019 BTXJKTLEBDSUCQ-SFHVURJKSA-N 449.847 4.231 5 20 IIBD Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1F 854177329 VKGFPKWVMHXRFP-UHFFFAOYSA-N 429.345 4.163 5 20 IIBD Cc1c(C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cnn1-c1cccc(Cl)c1 914799009 ADBOJOPHHQEEFM-UHFFFAOYSA-N 439.815 4.149 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCC([C@H](O)c2ccccc2)CC1 914862870 UWMMOKPOGCXNDS-GOSISDBHSA-N 425.363 4.472 5 20 IIBD CCN(C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)[C@@H](C)c1ccc(F)cc1 918974630 AFSYKTFDVWMGHQ-INIZCTEOSA-N 443.475 4.101 5 20 IIBD O=C(COC(=O)c1c[nH]cc1-c1ccccc1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 919150546 KTDIJLJQSVLQLG-UHFFFAOYSA-N 433.342 4.404 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] 919226963 NEHXFWMEKLDBAW-VIFPVBQESA-N 442.211 4.302 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 919443259 FTGZIPVZKQPRSL-NSHDSACASA-N 427.240 4.159 5 20 IIBD CC(C)c1cccc(C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1N 920558582 VKCZJIWOIFJQHG-UHFFFAOYSA-N 425.363 4.115 5 20 IIBD O=C1c2ccccc2C(=O)N1CC1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 1115888230 QETUKIUBSMWQIB-UHFFFAOYSA-N 433.386 4.126 5 20 IIBD CC(C)n1nc(-c2nnc(-c3ccc([N+](=O)[O-])c4cccnc34)o2)c2ccccc2c1=O 1117215023 RSALEHCHTSTALI-UHFFFAOYSA-N 428.408 4.151 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)c2nn(-c3ccccc3F)cc2Br)cc1[N+](=O)[O-] 1252699717 DLPZIDKXBJEGIZ-GFCCVEGCSA-N 447.264 4.482 5 20 IIBD O=[N+]([O-])c1ccc(CNC[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 1262596120 SOWPBQLRZPMPJF-QFIPXVFZSA-N 428.435 4.130 5 20 IIBD COc1cccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1Br 1320635659 GZQBFJFQJXBLPA-UHFFFAOYSA-N 430.052 4.381 5 20 IIBD CC1CCN(C[C@H](C)c2nnc(-c3cc(F)cc([N+](=O)[O-])c3Br)o2)CC1 1326267966 YVIVZZZMKUAXBR-NSHDSACASA-N 427.274 4.382 5 20 IIBD CCCCC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3nc[nH]c3[N+](=O)[O-])cc2)CCC1 1788613195 LVRODTCSWJEDCL-HNNXBMFYSA-N 427.505 4.282 5 20 IIBD C/C=C/C=C\C(=O)NC1(c2ccc(NC(=O)c3cc([N+](=O)[O-])c(O)cc3C)cc2)CCC1 1790807997 NQVCFXKCRJRZMR-BZDQXIRASA-N 435.480 4.489 5 20 IIBD Cc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc3ccoc3c2)cc1[N+](=O)[O-] 1800986824 HIXOKFNDPMWUEG-WKCHPHFGSA-N 447.491 4.144 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2ccoc2c1)c1cccc(F)c1[N+](=O)[O-] 1800991241 PBULQHSNRWNZEA-BJWYYQGGSA-N 437.427 4.046 5 20 IIBD Cc1ccc([C@@H](C)C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C3)cc1 1801777499 LFZWQHCWOMDXAA-YRRCWQSASA-N 447.535 4.358 5 20 IIBD Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 10898986 LJEBGSQBKIEJCI-HXUWFJFHSA-N 431.920 4.360 5 20 IIBD CCNC(=O)c1cccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 15022794 XUXNZTASXZOZRM-UHFFFAOYSA-N 427.404 4.094 5 20 IIBD Cc1cc(CSc2ccccc2C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)on1 15192806 CJBLTRKSZDZRPK-UHFFFAOYSA-N 438.509 4.146 5 20 IIBD CC(=O)Nc1cc2ccccc2cc1C(=O)O[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 16413567 IHWLJPKOBMJUKF-GFCCVEGCSA-N 439.399 4.030 5 20 IIBD O=C(Nc1ccnn1Cc1ccc(C(F)(F)F)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 16700262 CFFOLQCGRCHNOB-UHFFFAOYSA-N 435.318 4.019 5 20 IIBD CCCCn1c(S[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nc2ccccc2c1=O 21737618 QGNWAJIYILLOQL-AWEZNQCLSA-N 426.498 4.224 5 20 IIBD CC(C)(C)c1ccccc1NC(=O)COC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 24208043 LSRVWYUVMJFUFE-UHFFFAOYSA-N 439.512 4.291 5 20 IIBD CSc1ccc(NC(=O)[C@@H](C)OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 28775091 BXXWECZSRJDAHM-MRXNPFEDSA-N 446.528 4.447 5 20 IIBD COc1ccc([C@@H](C)NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1Br 31419494 JHWFPETZCCZARQ-GFCCVEGCSA-N 445.273 4.043 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCc2ccc(NC(=O)C(C)C)cc2)CC1 33091895 YHJRUYNGDUWXAL-UHFFFAOYSA-N 438.528 4.356 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCN(Cc2ccsc2)CC1 43753798 HHDQBHVUWWQHAK-UHFFFAOYSA-N 433.331 4.289 5 20 IIBD CC(C)CCSc1ccc(C(=O)NCc2cccc(C(=O)N(C)C)c2)cc1[N+](=O)[O-] 46864358 FDVGIMSKWSTFCV-UHFFFAOYSA-N 429.542 4.365 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC(CN2CCCCCC2)CC1 58477559 GLOAOQFCMJCURT-UHFFFAOYSA-N 431.580 4.269 5 20 IIBD Cc1ccc(F)c(NC(=O)c2ccccc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 60487778 SEFSYTZROKZLPN-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD COc1cc(C(=O)NCCSCc2cccc3ccccc23)c([N+](=O)[O-])cc1OC 65422467 AORKBLKBBOFDSY-UHFFFAOYSA-N 426.494 4.428 5 20 IIBD CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 255958466 WPKARWZBRBRKIF-SJLPKXTDSA-N 435.267 4.042 5 20 IIBD NC(=O)c1ccc(SCC(=O)Nc2c(F)cccc2Oc2ccccc2)c([N+](=O)[O-])c1 410034690 AGHCAEIKQJWDMU-UHFFFAOYSA-N 441.440 4.356 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCO[C@H](c2ccc(F)cc2)C1 426283388 NNWPBPWINMHMKL-KRWDZBQOSA-N 427.354 4.036 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N(Cc1ccc(F)cc1)C1CCOCC1 427730818 IUHNTTUVLAHSLX-UHFFFAOYSA-N 437.265 4.318 5 20 IIBD COc1cc(CNC(C)(C)c2cc(C(F)(F)F)on2)c([N+](=O)[O-])cc1OCC(F)F 429225636 HFUIODBSYJSYAA-UHFFFAOYSA-N 439.337 4.279 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccccc2C)C(C)(C)C)cc1OC 430519669 LCDCTZLLRNYTDZ-OAQYLSRUSA-N 430.501 4.454 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 433144692 NEGJEEXLMDEYQZ-NRFANRHFSA-N 431.558 4.138 5 20 IIBD CCOC(=O)c1ccc2c(c1)N(C(=O)c1cc([N+](=O)[O-])ccc1SC(C)C)CCO2 433887357 YMNUPLZUCKQIQG-UHFFFAOYSA-N 430.482 4.311 5 20 IIBD COc1cccc(C(=O)Nc2ccc(Cl)cc2I)c1[N+](=O)[O-] 435911214 JRQXUKQCOYZZSZ-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(C[S@](=O)Cc3noc(-c4ccc(F)cc4F)n3)co2)cc1 435930050 MHVCOQMTUVVXEK-HKBQPEDESA-N 446.391 4.027 5 20 IIBD Cc1ccc([C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@H](C)S(C)(=O)=O)cc1 437351065 XKPFNWDAOJEVGP-AOMKIAJQSA-N 428.510 4.427 5 20 IIBD Cc1cccc(C(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c2cccc(C)c2)c1 437967877 DNSUTAAIXMJJFZ-UHFFFAOYSA-N 427.464 4.312 5 20 IIBD Cc1c(Cl)cc(F)c(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1F 438658111 YYIQBGORLRHDJE-UHFFFAOYSA-N 425.819 4.211 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CC)Cc1ccc(Cl)c(Cl)c1 439706449 HWSLETHISOMICO-UHFFFAOYSA-N 440.283 4.288 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1F)C(C)C 439820524 JKJYRANVZGRSOC-SFHVURJKSA-N 437.855 4.238 5 20 IIBD CC(=O)c1ccc(OCc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)c([N+](=O)[O-])c1 440874867 YIFOOMBADQGPGI-UHFFFAOYSA-N 441.753 4.024 5 20 IIBD Cc1nc[nH]c1CNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 443469518 ZTEBHQCEGDOEIJ-MHWRWJLKSA-N 433.493 4.483 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1 443944781 GAMXBIBCVZRYCW-IBGZPJMESA-N 432.908 4.060 5 20 IIBD O=C(Nc1ccc(N2CCCC2=O)c(F)c1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444008400 IHKUNKFUHYXYKC-UHFFFAOYSA-N 433.414 4.339 5 20 IIBD Cc1oc(C(N)=O)cc1-c1csc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)n1 444022048 PRASPRQRWVRLMT-UHFFFAOYSA-N 444.472 4.057 5 20 IIBD Cc1c(C[S@@](C)=O)cccc1NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444025533 UQXOPJPRQHUCGH-WJOKGBTCSA-N 440.471 4.399 5 20 IIBD CCN(C[C@@H]1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1)CC(F)(F)F 444093580 BEELTDGHNZKCQE-HNNXBMFYSA-N 431.458 4.028 5 20 IIBD CC[C@H]1Oc2cc([C@H](C)NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)ccc2NC1=O 444130482 LKQQJSACTNAFCU-RCDICMHDSA-N 441.487 4.282 5 20 IIBD COc1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])c(Br)c1 446077406 CEOCCEQLQNRQNZ-UHFFFAOYSA-N 436.081 4.442 5 20 IIBD COc1ccc(CN(C)C(=O)CSc2ccc(Br)cc2[N+](=O)[O-])cc1 447359235 OQLVJWDQKCHXKT-UHFFFAOYSA-N 425.304 4.117 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 448164252 LYXSLBLOUPFELE-UHFFFAOYSA-N 442.946 4.202 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)N1CCC(F)(F)[C@@H](CO)C1 462669242 RCBKLELMBBPCIU-GFCCVEGCSA-N 442.871 4.489 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 462904111 SMNVRJAYJSJVBL-DENIHFKCSA-N 437.540 4.268 5 20 IIBD Cc1cnc(Sc2nnc(-c3ccccc3)n2Cc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 463050135 AWLPLZJNKMWSEV-UHFFFAOYSA-N 447.476 4.485 5 20 IIBD COc1cc(N[C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)ccc1[N+](=O)[O-] 463080214 UEXPTXXXIDBQLC-OAQYLSRUSA-N 430.457 4.348 5 20 IIBD COc1ccc(CNC(=O)c2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)cc1[N+](=O)[O-] 463163973 JHDPJQDXIOFZER-UHFFFAOYSA-N 448.410 4.390 5 20 IIBD Cc1ccc(-c2csc(NC(=O)Cn3nc(C(F)(F)F)cc3C)n2)cc1[N+](=O)[O-] 463246114 HBAUPSRVUHFOMZ-UHFFFAOYSA-N 425.392 4.189 5 20 IIBD O=C(NCCc1nc(-c2cccc(Cl)c2)no1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 463721545 JHKBTRAYGNZBQS-UHFFFAOYSA-N 440.765 4.290 5 20 IIBD COc1ccc(C(NC(=O)COc2c(F)cccc2[N+](=O)[O-])c2ccc(OC)cc2)cc1 463794571 SEVZRHWEXBZERE-UHFFFAOYSA-N 440.427 4.036 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 464216600 OKOURQVGMDUXQL-INIZCTEOSA-N 447.513 4.354 5 20 IIBD COc1cc(CSCc2cnn(C)c2C(F)(F)F)c([N+](=O)[O-])cc1OC(F)F 465455437 ZLRAKHAXXXRKCV-UHFFFAOYSA-N 427.351 4.391 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1OCC1CCC1)c1cccc([N+](=O)[O-])c1 466814854 SYDURALWMOBKIV-CYBMUJFWSA-N 431.876 4.243 5 20 IIBD NC(=O)C1(CNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CCCC1 467726507 YPSLODJVCLANQQ-UHFFFAOYSA-N 433.917 4.175 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O 467899179 MFFWLDALQZNPFN-LJQANCHMSA-N 433.574 4.396 5 20 IIBD Cc1ccc(Nc2nnc(Sc3ccc([N+](=O)[O-])cc3S(C)(=O)=O)s2)cc1C 468331610 VQXBRWAMKITMBN-UHFFFAOYSA-N 436.540 4.361 5 20 IIBD CNC(=O)CC1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 470252014 JNVQYVOUNGYMKZ-UHFFFAOYSA-N 431.876 4.029 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3ccco3)cc2F)cc1OC 470540517 WSBUEEOGCRIEHS-UHFFFAOYSA-N 430.388 4.280 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N[C@H]1CCCC[C@H]1n1cccn1 470874535 RWDQTZYAMDFHIV-AZUAARDMSA-N 441.513 4.188 5 20 IIBD CCc1ccc(-c2noc([C@H](C)NC(=O)c3cc(SC)c(OC)cc3[N+](=O)[O-])n2)cc1 472401513 GYURMOSVBBJPQD-LBPRGKRZSA-N 442.497 4.429 5 20 IIBD CN(C)c1ccc(-c2cncc(C(=O)Nc3ccnn3-c3ccc([N+](=O)[O-])cc3)c2)cc1 473986149 WUNLGCVBHGSZEF-UHFFFAOYSA-N 428.452 4.161 5 20 IIBD CSc1ccc(NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1Cl 475959635 WYZILFGFYQOJRI-UHFFFAOYSA-N 440.934 4.022 5 20 IIBD O=C(c1occc1-c1ccc(F)cc1)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 478077500 COTWWRSZXPRJNA-UHFFFAOYSA-N 449.442 4.223 5 20 IIBD CCCCn1ccnc1-c1cccc(NC(=O)[C@@H](CC)Nc2c([N+](=O)[O-])c(C)nn2C)c1 478627494 VCQKEONMZLSGNV-GOSISDBHSA-N 439.520 4.130 5 20 IIBD CCn1c(SCC(=O)N[C@H](C)c2ccc(Cl)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 481346903 UIEOEGKVFYNDNQ-CYBMUJFWSA-N 445.932 4.496 5 20 IIBD O=C(NCCC1CCN(CC(F)(F)F)CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 482326287 DMLQKSZTYKCCOE-UHFFFAOYSA-N 442.463 4.113 5 20 IIBD O=C(Nc1nc([C@@H]2C[C@H]3CC[C@H]2C3)cs1)c1cccc([N+](=O)[O-])c1N1CCOCC1 482405288 XXLZKKBZWBSLQA-OFQRWUPVSA-N 428.514 4.044 5 20 IIBD CCc1c(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cnn1-c1cccc(Cl)c1 482715496 LGESPLQJIJKTGV-UHFFFAOYSA-N 436.859 4.434 5 20 IIBD CCCOc1cc(NC(=O)N2CCC[C@@](O)(C(F)(F)F)C2)c([N+](=O)[O-])cc1OCCC 482742165 AIXMFURTIHVNQA-SFHVURJKSA-N 449.426 4.094 5 20 IIBD O=C(NC1CC1)c1cc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)ccc1Cl 482965315 RWGZOOHDEMYDBP-UHFFFAOYSA-N 428.876 4.337 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N(CCO)Cc1ccc(Br)s1 482992065 WXIOHEUDEAORJK-UHFFFAOYSA-N 445.360 4.166 5 20 IIBD Cc1ccccc1COc1cccc(NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)c1 484061554 XTESEXFHNVOWAY-QGZVFWFLSA-N 433.464 4.239 5 20 IIBD O=C(O)c1nc(/C=C/c2ccc(Br)cc2[N+](=O)[O-])sc1Br 486033861 YXHYDBPPVCJKME-DUXPYHPUSA-N 434.065 4.445 5 20 IIBD Cc1ccc(NC(=O)CS[C@H](C)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 486092527 FIZXKZOCHKXEAN-MRXNPFEDSA-N 427.526 4.155 5 20 IIBD CN(C)[C@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccsc1 486364590 AUMLKINSOZQYSM-OAQYLSRUSA-N 425.510 4.268 5 20 IIBD COC(=O)c1cc(NC(=O)N(CCc2ccccc2)Cc2cccnc2)c(C)c([N+](=O)[O-])c1 486863803 DQBKIRDIHVIVNJ-UHFFFAOYSA-N 448.479 4.362 5 20 IIBD COC(=O)c1cc(C)nc(N2C[C@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] 488714301 ULDPLYFZQGXPPA-LRDDRELGSA-N 439.390 4.070 5 20 IIBD CCn1c(S[C@@H](C)C(=O)NCCC2=CCCCC2)nnc1-c1ccc([N+](=O)[O-])cc1 489391452 QQEWMHDFRXHIEW-HNNXBMFYSA-N 429.546 4.361 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N[C@H]2CCC[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] 489657849 BIUJPFOUSAEJIA-WMZOPIPTSA-N 437.525 4.331 5 20 IIBD COc1cc(CCNc2ccc(C(=O)Nc3ccc(C)cc3)cn2)c([N+](=O)[O-])cc1OC 492888547 DRCXBGMAGZAFBK-UHFFFAOYSA-N 436.468 4.222 5 20 IIBD CCc1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)n[nH]1 496756045 ZJFIDGSEAXLGKK-LBPRGKRZSA-N 428.880 4.032 5 20 IIBD O=C(c1ccnc(-c2ccc(Cl)cc2)n1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 499860384 IUUPCTBNLGQJEC-UHFFFAOYSA-N 438.871 4.389 5 20 IIBD CC(C)(C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1csc(-c2cccs2)n1 499951872 STODLWFGXKDDRS-UHFFFAOYSA-N 442.566 4.406 5 20 IIBD Nc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1 500670208 RQNBONUMSYIFJQ-UHFFFAOYSA-N 432.358 4.313 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@H](c1ccc(Cl)cc1)c1cccs1 500797810 AKPPSCAHOJLGRR-HXUWFJFHSA-N 443.912 4.335 5 20 IIBD O=C(Nc1ccc(OC[C@H](O)COc2ccccc2Cl)cc1)c1cccc([N+](=O)[O-])c1 506342624 ZNVUIFWALVVXEB-SFHVURJKSA-N 442.855 4.319 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N(Cc1ccc(F)cc1)C1CC1 508761511 GWSRKJUEGFBURK-UHFFFAOYSA-N 440.212 4.143 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 510824894 LSRHIBUVSVMVMU-UHFFFAOYSA-N 445.426 4.380 5 20 IIBD CCCOc1ccc(NC(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1Cl 511444467 XATKBHRUQOQCHG-UHFFFAOYSA-N 437.880 4.418 5 20 IIBD Cc1[nH]c2ccc(Br)cc2c1CC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 512965359 AZQHUQIARZMICW-UHFFFAOYSA-N 430.302 4.391 5 20 IIBD C[C@H](NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccccc1Oc1ccccc1 513470263 DOZWSPBAAZCHDA-HNNXBMFYSA-N 433.420 4.172 5 20 IIBD CCn1c(SCC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1 515681984 UMDATHLLWMHHNM-CYBMUJFWSA-N 445.932 4.496 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(OCc3ccncc3)c(OC)c2)c1 516314372 CRTYMPHEVWVGHF-HNNXBMFYSA-N 437.452 4.077 5 20 IIBD Cn1c([C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)nc2ccccc21 516332563 MIFXAZSIXNSXGU-KRWDZBQOSA-N 434.905 4.051 5 20 IIBD CCOc1cc(C(=O)NCC2(N[C@H](C)c3ccccc3)CCCC2)c([N+](=O)[O-])cc1OC 520289338 CXTJOYVNXXRZDJ-QGZVFWFLSA-N 441.528 4.396 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCc1ccc(F)c(Br)c1 520390836 MGEQZOHXYMOEBP-SNVBAGLBSA-N 445.672 4.276 5 20 IIBD CC(C)C[C@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N[C@@H](C)c1ccccc1 521380258 RSMBWMIHIVPTOG-AZUAARDMSA-N 435.528 4.276 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2nnc(-c3cc(C)cc(C)c3)s2)cc1OC 524512907 NJHJYAMDDAIILE-UHFFFAOYSA-N 428.470 4.390 5 20 IIBD Cc1ccccc1OCc1nnc(SCCn2cc([N+](=O)[O-])cn2)n1-c1ccccc1 525598948 PALBFPILTVCYBU-UHFFFAOYSA-N 436.497 4.052 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCN(c4ccccc4O)CC3)c([N+](=O)[O-])c2)cc1 532421597 JCABZHCIKHFWON-UHFFFAOYSA-N 432.480 4.188 5 20 IIBD O=[N+]([O-])c1cc(Br)cnc1N1CCC2(CCN(Cc3ccccc3)C2)CC1 534974320 UAJJZGXEDRLISJ-UHFFFAOYSA-N 431.334 4.245 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 535046211 BBLHKIIIHYRZMR-OAQYLSRUSA-N 440.887 4.305 5 20 IIBD O=C(NCc1cccc(Cn2cnc3ccccc32)c1)c1c[nH]c2cccc([N+](=O)[O-])c12 535695683 GBVMHCWUZAFBJD-UHFFFAOYSA-N 425.448 4.404 5 20 IIBD C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 536805950 LHBQILRJORINQE-HZPDHXFCSA-N 429.498 4.078 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 537420609 SXHXVHLXGQSYLR-UHFFFAOYSA-N 445.516 4.224 5 20 IIBD O=[N+]([O-])c1cccc(-c2ccc(CNc3ccc4nc(CCN5CCOCC5)[nH]c4c3)o2)c1 537506207 LCPZLQRKIHJUMS-UHFFFAOYSA-N 447.495 4.218 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCc1nnc2n1CCCCC2 537518214 FUVNPBPDEBGBGY-UHFFFAOYSA-N 431.562 4.168 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cccc(C(=O)N2CCSCC2)c1C 537709058 FAJBGSCYKMDOKW-UHFFFAOYSA-N 427.526 4.270 5 20 IIBD CCc1nn(C)c(OC)c1CNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 540068096 SKGYRNJKKPSUCM-UHFFFAOYSA-N 446.511 4.042 5 20 IIBD O=C(N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 540544521 UIIMUKPDSMNCQO-AEFFLSMTSA-N 431.420 4.257 5 20 IIBD C[C@H]1CN(CCCCNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C[C@@H](C)O1 541670821 YYVHKRCSBQLCSU-HDICACEKSA-N 449.617 4.496 5 20 IIBD COC(=O)c1cc(NC(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1 543121025 LBYCECWANZWCGO-UHFFFAOYSA-N 435.314 4.308 5 20 IIBD COc1cc(CCC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)ccc1OCC(F)(F)F 543858609 YFQCNQJKNDPVEV-UHFFFAOYSA-N 428.363 4.124 5 20 IIBD O=C([C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 544685503 CMZWXUZXNOZVDH-RCCFBDPRSA-N 425.533 4.116 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1nc(-c2ccc(OC(F)F)cc2)cs1 544808571 KDVXSOGGMKKXME-UHFFFAOYSA-N 441.437 4.262 5 20 IIBD CN(C)CCOc1ccc(-c2noc(-c3csc(-c4ccc([N+](=O)[O-])cc4)n3)n2)cc1 544971962 UNRVLVDMRCTHNX-UHFFFAOYSA-N 437.481 4.376 5 20 IIBD CCOC(=O)c1cc(-c2nc(Cc3coc(-c4cccs4)n3)no2)cc([N+](=O)[O-])c1 545001602 DNROVXPZXHOBHO-UHFFFAOYSA-N 426.410 4.129 5 20 IIBD Cc1c(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)cnn1-c1ccc(F)cc1F 545668865 ILLALPBHJDEALY-UHFFFAOYSA-N 426.383 4.072 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1noc([C@H]2CCCN(Cc3cccc(F)c3)C2)n1 546380408 RQADXOJEUFTGKZ-KRWDZBQOSA-N 425.464 4.151 5 20 IIBD CO[C@H](c1ccc(Br)cc1)c1noc(-c2n[nH]c3ccc([N+](=O)[O-])cc23)n1 546521698 VOJXFUOCSBZZSJ-OAHLLOKOSA-N 430.218 4.019 5 20 IIBD COCC[C@@H](Cc1cccc(Br)c1)C(=O)N(C)CCc1ccccc1[N+](=O)[O-] 552714368 PXBWTLJAWQRHNP-SFHVURJKSA-N 449.345 4.254 5 20 IIBD CSc1ccc(C(=O)N2CCC[C@H](NC(=O)CCCc3ccccc3)C2)cc1[N+](=O)[O-] 553020277 UUBAAKNVABNRTH-IBGZPJMESA-N 441.553 4.060 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 553364672 XKVKMMQVGQONSR-KZNAEPCWSA-N 432.929 4.371 5 20 IIBD O=C(NCc1cnc(-c2ccc(Cl)cc2)s1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 556479099 YDSBWCQGRLQVMI-UHFFFAOYSA-N 439.884 4.487 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CNc2ccc(-c3cncnc3)cc2)c1 565394137 AUGWKLUFPMBHBX-UHFFFAOYSA-N 432.221 4.269 5 20 IIBD CC(C)(C(=O)N1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1)c1ccccc1[N+](=O)[O-] 570180423 HDZZQSIVXVEVEK-MRXNPFEDSA-N 442.491 4.072 5 20 IIBD O=C1CCc2c1ccc(Oc1ccc(S(=O)(=O)N3CCCCCC3)cc1[N+](=O)[O-])c2F 571070967 BRGWOYJIBPMWMY-UHFFFAOYSA-N 448.472 4.220 5 20 IIBD CC(C)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCCO1 576187767 AOGAFMGPHRIZIM-IBGZPJMESA-N 443.466 4.104 5 20 IIBD CCOc1ccc(NC(=O)CN[C@H](C)c2ccc(Oc3cccnc3)cc2)c([N+](=O)[O-])c1 576547622 JYTRTSCMTXVEKC-MRXNPFEDSA-N 436.468 4.470 5 20 IIBD Cc1ccccc1-n1c(SCCn2cc([N+](=O)[O-])cn2)nc2cc(Cl)ccc2c1=O 579896422 JSNULRKXGZBWRZ-UHFFFAOYSA-N 441.900 4.245 5 20 IIBD Cn1cc(-c2ccc3c(c2)C(C)(C)CN3CC2CN(Cc3ccc([N+](=O)[O-])cc3)C2)cn1 583642417 ANUHOZZPFKIQSV-UHFFFAOYSA-N 431.540 4.225 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 583744076 KHXMEHZOQFAFFK-UHFFFAOYSA-N 427.464 4.157 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)Cc1c[nH]c2cc(Cl)ccc12)c1ccccc1[N+](=O)[O-] 609019752 JERGMXOGPSYZMT-IBGZPJMESA-N 443.887 4.471 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1SCc1cn2ccccc2n1 609461824 NRBRMMLBFMUZKW-UHFFFAOYSA-N 448.504 4.344 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NC[C@H]2OCCc3ccccc32)c([N+](=O)[O-])c1 609586494 LSZSAHYMALQLCQ-HSZRJFAPSA-N 446.459 4.338 5 20 IIBD C[C@@H](NC(=O)N1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1)c1cccc([N+](=O)[O-])c1 609640268 IQBOOWVPDZLHJV-HZPDHXFCSA-N 443.479 4.038 5 20 IIBD O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 609699036 RKYRZJXJULTRBV-CQSZACIVSA-N 441.381 4.074 5 20 IIBD C[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CN(Cc2ccccc2)CCO1 610162250 LPOAZTWWTAVHAH-HTAPYJJXSA-N 438.553 4.097 5 20 IIBD CCOC(=O)c1cc(F)c(F)cc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 610186203 MNXTYSAUFXEYBY-UHFFFAOYSA-N 436.414 4.248 5 20 IIBD Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCS[C@H]3c3ccc([N+](=O)[O-])cc3)C2)cc1 610210521 ZGRKVEYYTPECDW-XXBNENTESA-N 439.537 4.030 5 20 IIBD COC[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 610571093 RRUYOZYASOGPLQ-AWEZNQCLSA-N 447.207 4.494 5 20 IIBD COc1cc(CNc2ccc(C)c(C(=O)N(C)C)c2)c([N+](=O)[O-])cc1OCC(F)(F)F 610911579 CBIAQLMAYJDFCE-UHFFFAOYSA-N 441.406 4.167 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CC(c2nc3ccccc3[nH]2)C1 611212112 IXYSLNUHGBHCOW-UHFFFAOYSA-N 427.464 4.323 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC[C@H](C[C@H]4CCOC4)C3)cc2[N+](=O)[O-])C1 611356262 XBRNZMAMBIZREI-IYWMVGAKSA-N 429.561 4.356 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1O 611484742 PYUZIUINWXBQJI-OAHLLOKOSA-N 426.256 4.000 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1CCCN(Cc2ccccc2)C1 612282303 HBIZLLPUNQJIOE-KRWDZBQOSA-N 433.961 4.369 5 20 IIBD Cc1cc(NC(=O)N2CCOC[C@H]2c2c(C)nn(-c3ccccc3)c2C)ccc1[N+](=O)[O-] 613784387 GSEDDPLWYVCQSK-NRFANRHFSA-N 435.484 4.311 5 20 IIBD O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cc2ccccc2c2cccnc12 642519009 VANZEBFVDFTVQB-DEOSSOPVSA-N 429.495 4.330 5 20 IIBD Nc1cc(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])ccc1Oc1ccc(Cl)cc1 727529424 NYACYYFAAWTJHO-UHFFFAOYSA-N 441.827 4.418 5 20 IIBD CCc1ccccc1O[C@@H](C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 730621824 AAQQCVNYLKYFLO-HSZRJFAPSA-N 434.448 4.459 5 20 IIBD CCCN1C(=S)N[C@@H](c2csc(CC)n2)C(C(=O)Nc2cccc([N+](=O)[O-])c2)=C1C 731421845 DCCUNCMYBDMQTI-SFHVURJKSA-N 445.570 4.168 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCc1ccc(OC2CCCCC2)nc1 732012209 LEDKOANQHOBJMM-UHFFFAOYSA-N 441.456 4.310 5 20 IIBD CC(C)n1ccc(C(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)n1 733088543 JRESSNLAGQEAPD-UHFFFAOYSA-N 428.832 4.497 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 733531556 QGTGTXNYVRVBIX-HXUWFJFHSA-N 438.402 4.101 5 20 IIBD C[C@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])c1ccc(NC(=O)c2ccncc2)cc1 733762291 ULDMXNCZZYXBRV-LBPRGKRZSA-N 426.379 4.011 5 20 IIBD O=C(Nc1ccc(OCC2CCOCC2)cc1)c1cc([N+](=O)[O-])ccc1N1CCCC1 736577864 PDPKQJFTLMVTDF-UHFFFAOYSA-N 425.485 4.253 5 20 IIBD CN1C(=O)C[C@H](COC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@@H]1c1cccc(Cl)c1 737382967 UZAZQYHEIOSJSN-XCLFUZPHSA-N 427.844 4.106 5 20 IIBD Cc1ccc([C@@H](O)CSc2nc3ccccc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)cc1 743253218 LEKHDKLQHPIVKD-NRFANRHFSA-N 433.489 4.428 5 20 IIBD CC(C)=CC(=O)NCc1ccc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 744367535 MSSAEYMFWIEUSI-JOCHJYFZSA-N 425.510 4.065 5 20 IIBD C[C@H](Nc1ccc(C(=O)OCCc2ccc3c(c2)CCO3)cc1[N+](=O)[O-])c1ccccn1 744842695 OOXCJHJGULXTFT-INIZCTEOSA-N 433.464 4.497 5 20 IIBD CCOC(=O)c1nc(-c2ccccc2)oc1COC(=O)c1c(Cl)cccc1[N+](=O)[O-] 744985429 XGXBAIDRYPTMOE-UHFFFAOYSA-N 430.800 4.437 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCc1cc(Cl)ccc1OC(F)F 745975888 UCAIFZWEXTZDFE-UHFFFAOYSA-N 442.774 4.458 5 20 IIBD COCCN1CCN(C(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)CC1 746256642 SRZSBTQNENYKLR-UHFFFAOYSA-N 428.532 4.338 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Sc1nccn1Cc1ccccc1 746990373 LTVXYXIVEJRKPE-UHFFFAOYSA-N 443.428 4.284 5 20 IIBD O=C(COC(=O)c1ccccc1Oc1cccnc1)Nc1cc([N+](=O)[O-])ccc1Cl 748550572 UKALNXYEYHDXIT-UHFFFAOYSA-N 427.800 4.231 5 20 IIBD CCCCO[C@@H]1C[C@H](OC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C1(C)C 749064033 DQEAXHHQGISLIT-SJORKVTESA-N 434.518 4.015 5 20 IIBD C[C@@H](OC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl 750963917 JRUBGSSISCFGCW-SECBINFHSA-N 427.638 4.195 5 20 IIBD CN(C)C(=O)Sc1cccc(COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1 752534571 QIJOJKUKSZYSLE-UHFFFAOYSA-N 429.498 4.326 5 20 IIBD CC[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H](O)c1c(F)cccc1F 752644608 QTKOTYFQQMGRFG-LRDDRELGSA-N 431.342 4.108 5 20 IIBD Cc1ccc(-n2cnc3c2CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C3)cc1 753568022 DGHUGMBQJMDJTH-UHFFFAOYSA-N 425.876 4.010 5 20 IIBD CC(C)[C@@H](O)C(C)(C)CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 754137736 NLMLWQULRJBRJU-LJQANCHMSA-N 447.919 4.273 5 20 IIBD C[C@@H](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)N(C)Cc1ccccc1 755022707 WLKSHXHWSPUTHJ-ZDUSSCGKSA-N 438.297 4.137 5 20 IIBD COc1ccc(CNCc2cn(-c3ccccc3)nn2)cc1OCc1ccc([N+](=O)[O-])cc1 756140826 SJRKASWHDBHAOH-UHFFFAOYSA-N 445.479 4.053 5 20 IIBD Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1N(C)C(=O)c1ccc([N+](=O)[O-])cc1 757707225 LEZIICCFVQQBRY-UHFFFAOYSA-N 434.408 4.340 5 20 IIBD O=C(NC1CCC(C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1)C1CCCC1 760509869 HIWIDCBIAWCPQE-UHFFFAOYSA-N 441.484 4.158 5 20 IIBD C[C@H](NC(=O)COC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(OC(F)(F)F)cc1 763419679 JXJKQWUYPSPDCB-OLZOCXBDSA-N 440.374 4.018 5 20 IIBD O=C1c2ccccc2N[C@H](c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N1c1ccc2c(c1)OCCO2 765983272 RUDTXONSXJPZDT-NRFANRHFSA-N 448.391 4.045 5 20 IIBD C[C@@H]1Cc2ccc(Br)cc2CN1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 766388256 DSSZGARWGBCALW-CYBMUJFWSA-N 428.290 4.020 5 20 IIBD C[C@@H]1CCC[C@H](OCCCCCC(=O)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 766626624 UTJYDHZCXVEMKM-CABCVRRESA-N 446.953 4.209 5 20 IIBD CC1(C)C(=O)Nc2ccc(C(=O)Oc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)cc21 768765008 GUJJTGDYGZDCFA-UHFFFAOYSA-N 445.431 4.296 5 20 IIBD COc1cc(C(=O)OCC(=O)C2CCOCC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 770926469 NYLGGEZERSJTSZ-UHFFFAOYSA-N 449.843 4.202 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC(C(=O)C(F)(F)F)CC3)cc2[N+](=O)[O-])C1 775435881 ZKYRUCZVRAHCFH-ZIAGYGMSSA-N 441.450 4.061 5 20 IIBD O=S1(=O)CC[C@]2(C[C@@H](NCc3c4ccccc4c(Cl)c4ccccc34)CCO2)C1 776499936 ZFKVNTLKKLOQBN-HJPURHCSSA-N 429.969 4.472 5 20 IIBD CSc1cccc(C(=O)O[C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)c1[N+](=O)[O-] 777073611 JYYDSRWKHSNZBT-QWHCGFSZSA-N 428.466 4.486 5 20 IIBD Cc1ccc(-n2nc(C(=O)O[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2C)cc1 777157386 ZSJUFDMFIPEBLI-CQSZACIVSA-N 442.859 4.235 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2CCC(F)(F)F)cc1[N+](=O)[O-] 777636834 BMEMKNDINXRQIF-UHFFFAOYSA-N 447.391 4.069 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C)c1ccccc1Br 777981575 NJPBHJIZUBPSML-NSHDSACASA-N 431.283 4.187 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NC(=O)c1ccc([N+](=O)[O-])c(O)c1 779354594 BOUNGJVAKQUXEL-KRWDZBQOSA-N 427.457 4.455 5 20 IIBD CC(C)c1ccccc1NC(=O)COc1cc([N+](=O)[O-])ccc1I 780353936 MSXKSMAOWBLLNA-UHFFFAOYSA-N 440.237 4.340 5 20 IIBD O=C(Nc1ccccc1COCc1ccccc1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781619551 RHHKTRFHQGLVND-QHCPKHFHSA-N 431.448 4.443 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 781980775 UYLLJVYMZDNYJM-NRFANRHFSA-N 447.875 4.061 5 20 IIBD O=C(NCc1cccnc1N1CCCCC1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 785017861 JVRZOHDFALWAEV-UHFFFAOYSA-N 446.507 4.489 5 20 IIBD CN(C)c1ccc(COC(=O)c2nccnc2-c2nc3ccccc3s2)cc1[N+](=O)[O-] 785223414 BPYPPQNPQXJDGA-UHFFFAOYSA-N 435.465 4.085 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 790881711 DTALGCRKDCISQX-OLZOCXBDSA-N 443.903 4.082 5 20 IIBD CCOc1cc(CN(C)C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)ccc1OC(F)F 791315791 LZPBKBZHAZSRKD-UHFFFAOYSA-N 441.406 4.072 5 20 IIBD O=[N+]([O-])c1ccc(Br)c2c1CN(Cc1nc(-c3ccc(F)cc3)no1)CC2 792895755 CCRNMLJCRHHETR-UHFFFAOYSA-N 433.237 4.105 5 20 IIBD CCOc1cc(N2CCN(Cc3sc4nc(C)nc(C)c4c3C)CC2)ccc1[N+](=O)[O-] 793302064 MJTKLTKLBJGLRU-UHFFFAOYSA-N 441.557 4.246 5 20 IIBD CC(C)(NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)N1CCCC1 793394112 JLWFEUMXTSLXSQ-UHFFFAOYSA-N 436.306 4.108 5 20 IIBD COc1ccc(OC)c([C@@H](C)NC(=O)COc2cc(Cl)c(Cl)cc2[N+](=O)[O-])c1 794499028 VMXOWDWBFVCHNF-SNVBAGLBSA-N 429.256 4.175 5 20 IIBD O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)c1nc(Br)ccc1F 795850431 ZMLKWUKBRUCGQC-UHFFFAOYSA-N 434.015 4.011 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1 796083503 FSVMWNRIVDFOQH-FQEVSTJZSA-N 446.912 4.173 5 20 IIBD Cc1ccc(N2CCOCC2)cc1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 797691441 MQHSQZQGJAASHJ-UHFFFAOYSA-N 438.406 4.080 5 20 IIBD COC(=O)[C@@H](OC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccccc1C(F)(F)F 800468550 MMLIMSGWEDVESP-SFHVURJKSA-N 436.342 4.026 5 20 IIBD CC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC)CC[C@@H]1NC(=O)OC(C)(C)C 801917355 ZZYDNOHCDOQRDA-QAPCUYQASA-N 444.536 4.003 5 20 IIBD O=C(OCc1c(F)cc([N+](=O)[O-])cc1F)c1cccc(CS(=O)(=O)c2ccccc2)c1 803289246 MMWHSGZMNNSHLB-UHFFFAOYSA-N 447.415 4.204 5 20 IIBD CCOc1ccc(NCc2ccc([N+](=O)[O-])c(Cl)c2)cc1S(=O)(=O)N(CC)CC 809682174 FYUSCNDBYBWWFO-UHFFFAOYSA-N 441.937 4.290 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)cc([N+](=O)[O-])c1 811364293 HEEAPLXRDMBWOZ-UHFFFAOYSA-N 449.467 4.009 5 20 IIBD O=C(OCc1ccccc1)c1ccc(CNC(=O)c2cc(F)c([N+](=O)[O-])cc2F)cc1 811622327 JKXPPLNFRKXXGC-UHFFFAOYSA-N 426.375 4.160 5 20 IIBD CCOc1ccc([C@@H](O)C2CCN(c3cc(Cl)c(C(=O)OC)cc3[N+](=O)[O-])CC2)cc1 812483049 VIGOSRSCCMJETO-OAQYLSRUSA-N 448.903 4.384 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](C)c1ccc(N2CCCOC2=O)cc1 814355634 PFVNGHDYEXYCNL-ZIAGYGMSSA-N 447.875 4.240 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCN(C(=O)NCc3ccccc3[N+](=O)[O-])C2)C1 814361704 BCPJUVNEKTYZSG-MOPGFXCFSA-N 446.548 4.164 5 20 IIBD Cn1nc(C(F)(F)F)c(COC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c1Cl 815510561 BMXJOLRMLWEMLW-UHFFFAOYSA-N 431.676 4.376 5 20 IIBD COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)ccc1OC(F)F 827585809 QQSYNPYQVUSCRI-CXUHLZMHSA-N 436.392 4.441 5 20 IIBD O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 840509886 LTXQSVVUTNHEJZ-UHFFFAOYSA-N 427.392 4.435 5 20 IIBD O=Cc1ccc(OCC(=O)Nc2ncc(Cc3ccccc3Cl)s2)c([N+](=O)[O-])c1 913587960 MIVMYAXHWSHVPH-UHFFFAOYSA-N 431.857 4.126 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cc(C2CC2)nn1-c1ccccc1 914798724 YBERGBMEXNAKFG-UHFFFAOYSA-N 431.408 4.065 5 20 IIBD CC(C)Oc1cccc([C@H](C)NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c1 917651559 AWNBVFIBYCTIKR-LBPRGKRZSA-N 443.319 4.184 5 20 IIBD Cc1cc(NC(=O)COC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1Br 919214418 RDIDQBADNYQAQM-UHFFFAOYSA-N 433.214 4.207 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1cccc2ccccc12 919221245 FYBYRCUYESOULT-KBPBESRZSA-N 437.408 4.079 5 20 IIBD CCN(C[C@H]1CCCO1)C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 920252898 YJTVSGLFTCBIBQ-OAHLLOKOSA-N 431.876 4.142 5 20 IIBD Cc1c([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cnn1-c1ccc(F)cc1 920820397 GIWKRQXIXPMHMW-OAHLLOKOSA-N 437.475 4.319 5 20 IIBD C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1N 1256680403 YYMUOAZFPGPCNT-SECBINFHSA-N 435.303 4.382 5 20 IIBD Cc1c(C(=O)Nc2ccc(Oc3cccc(F)c3)nc2)nnn1-c1cccc([N+](=O)[O-])c1 1317873110 FQUFXLSPUAXWPJ-UHFFFAOYSA-N 434.387 4.063 5 20 IIBD O=C(Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1)c1ccc(O)cc1O 1320202106 HDXODQTTYKEYIC-UHFFFAOYSA-N 428.784 4.131 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2nnc(-c3ccncc3)s2)cc1[N+](=O)[O-])c1ccccn1 1322655843 PGUGRWJSBFMFPE-ZDUSSCGKSA-N 447.480 4.329 5 20 IIBD Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)c(Cl)c1Cl 1323079004 BRZSBRBZPBESQO-SNVBAGLBSA-N 426.231 4.341 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ncnc2scc(-c3ccccc3)c12 1324346196 HGANRMTXJLDVGD-UHFFFAOYSA-N 447.476 4.025 5 20 IIBD O=C(Nc1ccccc1C(=O)N=c1cc[nH]c2ccncc12)c1ccc([N+](=O)[O-])cc1Cl 1339982804 BZUXUXZZKCVEGO-UHFFFAOYSA-N 447.838 4.118 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1)c1cc2cnccc2[nH]1 1785750720 OJLACRRSPQDKJO-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD CC(C)OCC(=O)NC1(c2ccc(NC(=O)CCc3cccc([N+](=O)[O-])c3)cc2)CCC1 1786599136 NKONKUFYPGABBY-UHFFFAOYSA-N 439.512 4.087 5 20 IIBD O=C(NC1(c2ccc(NC(=O)C3CCC3)cc2)CCC1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 1787607784 KEVIADQLSCIYAX-UHFFFAOYSA-N 433.468 4.019 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)Nc1ccc(C2(NC(=O)C3=CCCC3)CCC2)cc1 1790806339 KLDNMJFFXPEBCE-UHFFFAOYSA-N 435.480 4.467 5 20 IIBD COCC1(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccccc4[N+](=O)[O-])cc3)CCC2)CC1 1792315487 SJCYICYDYIWWHU-KPKJPENVSA-N 449.507 4.169 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@@H]1C[C@H]1C1CC1 1801205718 AGBIZCJPGZPREE-JZFYCYHFSA-N 439.537 4.107 5 20 IIBD CC(C)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cc([N+](=O)[O-])ccc2F)CC1 1824949215 KJWZPBMOGJEDFP-JOCHJYFZSA-N 447.551 4.332 5 20 IIBD CC1=CC[C@@H](C(=O)N2CCCC23CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)C3)CC1 1843832504 VSBBDWNEKRSUEY-MRXNPFEDSA-N 431.920 4.120 5 20 IIBD Cc1ccc(C)c(C(=O)CCC(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 8852535 QMOPKGQHAHHVKB-AWEZNQCLSA-N 432.860 4.398 5 20 IIBD O=C(OCc1nnc(-c2ccc(Br)cc2)o1)c1ccc(Cl)cc1[N+](=O)[O-] 10749111 CEXWHMJUWGIQHA-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD COc1cc(C(=O)NCCc2ccccn2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 22407984 AQXSLOWYLXCWBD-UHFFFAOYSA-N 427.844 4.417 5 20 IIBD Cc1cc(C)c(NC(=O)CN(C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)c1 23830484 XGLBNQUTEIVMFJ-HNNXBMFYSA-N 432.908 4.071 5 20 IIBD CS(=O)(=O)c1ccc(NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)c([N+](=O)[O-])c1 29622126 SZIBVAGLPVKVBW-SFHVURJKSA-N 441.912 4.040 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)CC(=O)Nc2ccc(C)cc2)cc1 30877032 PYGYNYBFNJFKEC-UHFFFAOYSA-N 449.463 4.415 5 20 IIBD O=c1c2cnn(-c3ccccc3[N+](=O)[O-])c2ncn1Cc1sc2ccccc2c1Cl 32782692 SEHLKNRBSHPETH-UHFFFAOYSA-N 437.868 4.407 5 20 IIBD O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 60603252 MOGGFITWVLGMHG-HXUWFJFHSA-N 446.454 4.105 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccccc1-c1nc2ccccc2s1 60608912 LURZEYSUQJQLOL-UHFFFAOYSA-N 446.444 4.418 5 20 IIBD O=C(NCCCOc1ccc(Cl)cc1Cl)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 63261614 VYQOHUHCADRPJF-UHFFFAOYSA-N 435.267 4.286 5 20 IIBD COC(=O)c1ccc(OCc2coc(-c3ccc(Br)cc3)n2)c([N+](=O)[O-])c1 63846605 PREMPDSDAXXIDA-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NCCOc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 64113400 PXHIPOBISYOLCB-UHFFFAOYSA-N 434.374 4.069 5 20 IIBD CCOc1cc(C(=O)Nc2nnc(-c3ccc(C)cc3C)s2)c([N+](=O)[O-])cc1OC 65084221 INKFDARGSHNLFG-UHFFFAOYSA-N 428.470 4.390 5 20 IIBD O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 107703094 ULHPQCSBXBMWFE-LJQANCHMSA-N 437.418 4.103 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CCC(CCc3ccccc3)CC2)ccc1[N+](=O)[O-] 110372310 PVSLKHBYZPWALZ-DEOSSOPVSA-N 449.551 4.379 5 20 IIBD Nc1ccc(C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc1[N+](=O)[O-] 115403198 PGMVGYUOZQGJRB-UHFFFAOYSA-N 433.287 4.239 5 20 IIBD CCn1c(SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])nnc1-c1ccc(F)cc1 216422415 AKQVMWCKNQJIOX-UHFFFAOYSA-N 435.868 4.397 5 20 IIBD COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])c(C)cc1C 219079998 PDISTISDNYHQDG-UHFFFAOYSA-N 449.710 4.437 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CNc3cc(-c4cccs4)nn3CCO)cs2)c1 238210716 MQTGEMJBVCUDOP-UHFFFAOYSA-N 427.511 4.248 5 20 IIBD CS(=O)(=O)c1ccc(N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)c([N+](=O)[O-])c1 301196304 ODYCMSFLLJTXKB-QGZVFWFLSA-N 449.287 4.022 5 20 IIBD Cc1nc(Sc2nnc(CN3CCCCC3)n2-c2ccc(F)cc2)ccc1[N+](=O)[O-] 301626819 HPVJEYIZJANRSH-UHFFFAOYSA-N 428.493 4.155 5 20 IIBD COc1cc(N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c(F)cc1[N+](=O)[O-] 301925171 LEBGXOBVAMNKHR-UHFFFAOYSA-N 425.819 4.390 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2nc3c(s2)CCCCCC3)ccc1[N+](=O)[O-] 303157367 OUDXXIYTRJYHSW-GOSISDBHSA-N 442.541 4.262 5 20 IIBD O=C(CSc1cc(Cl)ccc1Cl)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 303673027 DUUQGCPZZZGWMK-LBPRGKRZSA-N 427.313 4.102 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1nnc(Cc2cccc(F)c2)s1 410010860 KPMINAKOQCCXCT-JTQLQIEISA-N 436.852 4.236 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CCC[C@H]2CCC2CCCC2)cc1[N+](=O)[O-] 427099725 HWGBPSUHXVJKTG-KRWDZBQOSA-N 429.546 4.450 5 20 IIBD C[C@@H](CC(=O)O)NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 427713863 JHMNOYHFHGOSGE-JMRXEAOASA-N 425.466 4.115 5 20 IIBD COc1ccc(CSCC(=O)N2CCC(c3ncccc3Cl)CC2)cc1[N+](=O)[O-] 428419934 GQROFLYPMIVMPT-UHFFFAOYSA-N 435.933 4.291 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H](Cc2ccccc2F)c2ccccc2)cc1 429436856 XEGFWSVPBKABPE-QFIPXVFZSA-N 428.485 4.081 5 20 IIBD COc1cc(OC)c(NC(=O)COc2c(Br)cccc2[N+](=O)[O-])cc1Cl 431228961 KUJWYEIQPGKXCS-UHFFFAOYSA-N 445.653 4.045 5 20 IIBD CCOc1cc(N2CCN(C(=O)NCc3ccc(C(C)(F)F)cc3)CC2)ccc1[N+](=O)[O-] 432576794 FCCVQKASGLBUII-UHFFFAOYSA-N 448.470 4.137 5 20 IIBD CC(C)NC(=O)c1ccc(NCC2(N[C@H](C)c3ccccc3)CCOCC2)c([N+](=O)[O-])c1 433773156 DWSGSOUCAJJGJB-GOSISDBHSA-N 440.544 4.045 5 20 IIBD C[C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)Oc1ccccc1Br 437999201 XJRVKXHYZWLNJC-CQSZACIVSA-N 448.317 4.499 5 20 IIBD C[C@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1cccc(-n2cccn2)c1 444113507 GAIHWQUIJPREFR-HNNXBMFYSA-N 426.451 4.497 5 20 IIBD CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 444328642 SVIWGADJYQEKAQ-CYBMUJFWSA-N 442.462 4.153 5 20 IIBD CN1CCC(N(Cc2ccccc2)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 446333868 TWTCZOWFRYJPGX-UHFFFAOYSA-N 446.345 4.023 5 20 IIBD C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1cccc(N2CCCC2)c1 447019516 YXIJQYAXJQXGOF-ZDUSSCGKSA-N 443.447 4.253 5 20 IIBD O=C(N1CCOc2ccc([N+](=O)[O-])cc2C1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 461404751 RGIYWTBNQJMWDB-UHFFFAOYSA-N 436.386 4.237 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1C[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 461430847 QEXZSEVAWCBVHX-IAGOWNOFSA-N 433.430 4.208 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C(=O)NCC(F)(F)F)ccc1C 462430020 SFRDIVXUARWNAZ-OAHLLOKOSA-N 437.418 4.403 5 20 IIBD COc1cc([C@H](C)NC(=O)CN(C)c2ccccc2[N+](=O)[O-])ccc1OCc1ccccc1 463286957 WOAYOLBFZIWVTN-SFHVURJKSA-N 449.507 4.496 5 20 IIBD CC(C)N(Cc1cccc(Br)c1)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 465176749 GABGDXGCMZGNNX-UHFFFAOYSA-N 449.301 4.108 5 20 IIBD Cc1ccc2nc(CNC(=O)c3ccc(N[C@@H](C)c4ccccn4)c([N+](=O)[O-])c3)[nH]c2c1 465198159 UMKCFIYCACOOEZ-HNNXBMFYSA-N 430.468 4.278 5 20 IIBD CC[C@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccc2c(c1)OCCO2 465707713 KLRBIILAHWDTCM-FQEVSTJZSA-N 441.484 4.070 5 20 IIBD C[C@H]1[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CC[S@@]1=O 466436781 QMTZSTXTYKQYJZ-ZBYRNGAHSA-N 438.958 4.381 5 20 IIBD CC[C@H](Nc1ccc(C(=O)c2ccccc2C(=O)OC)cc1[N+](=O)[O-])C1CCOCC1 470870595 ZNHKYMLUZZLQKH-IBGZPJMESA-N 426.469 4.230 5 20 IIBD COCCC[C@H](Cc1ccccc1)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 471316159 WGNFGVSCSCGERO-OAQYLSRUSA-N 428.532 4.309 5 20 IIBD CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 474417081 WUVGALXVODMKPF-UHFFFAOYSA-N 438.484 4.342 5 20 IIBD COC(=O)COc1ccc(CN2CCSC[C@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] 475716921 RWCZTHOQRKNPMO-SFHVURJKSA-N 436.917 4.090 5 20 IIBD CO[C@@]1(C)CCCN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CC1 477846965 LTRMTCJAHHLROD-SFHVURJKSA-N 427.288 4.119 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 479287879 SSRQBHMUOSWOMZ-OAQYLSRUSA-N 447.894 4.204 5 20 IIBD CCn1c(SCC(=O)N[C@H](c2ccccc2)C(C)C)nnc1-c1ccc([N+](=O)[O-])cc1 481334462 ADSVEAAFBDRQJI-FQEVSTJZSA-N 439.541 4.479 5 20 IIBD CCN([C@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] 481436212 BHZBYGURUUDREK-JOCHJYFZSA-N 425.510 4.407 5 20 IIBD CCN(CCNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)c1ccccc1C 481622499 HSGNEUFEWPBNBZ-UHFFFAOYSA-N 435.528 4.021 5 20 IIBD O=C(Nc1nc([C@@H]2C[C@H]3CC[C@H]2C3)cs1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 482355325 XCIJJQGZRIGGEV-RMRHIDDWSA-N 446.554 4.260 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCSC[C@H]2c2cnn(C)c2)cc1OC 484789591 MARBXVNWWMGNNE-KXBFYZLASA-N 434.562 4.052 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)S(=O)(=O)Cc1nn(-c2ccc(F)cc2)c2c1CCC2 485305327 SWSVUQSMLYHFSY-HNNXBMFYSA-N 443.500 4.393 5 20 IIBD CC(=O)N(Cc1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1)C1CC1 485462196 BMFADGMXBMSHEU-UHFFFAOYSA-N 438.303 4.182 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 486800636 SZIRTINCDVAJKE-JTQLQIEISA-N 429.429 4.386 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC2(CC1)OCCc1ccsc12 487322270 GCCYQNGWCYZLIO-UHFFFAOYSA-N 441.534 4.484 5 20 IIBD C[C@H]1CO[C@@H](c2ccccc2Cl)CN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] 487636601 PUMKQZPYHIPVTF-VBKZILBWSA-N 440.887 4.179 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1nc(-c2ccc(Br)cc2)cs1 488239788 CSRWSXJYSAMGBK-UHFFFAOYSA-N 436.291 4.015 5 20 IIBD C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 489516842 UFAWWIANVUHIQE-PBHICJAKSA-N 434.443 4.228 5 20 IIBD COc1ccc(CSCC(=O)Nc2nnc(/C=C/c3ccco3)s2)cc1[N+](=O)[O-] 490303583 XAOYHTMDQOLTMC-FNORWQNLSA-N 432.483 4.090 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 492264735 APOOKKFCBXYXOQ-UHFFFAOYSA-N 433.386 4.318 5 20 IIBD Cn1cnnc1Sc1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1Cl 502098751 OIBLQIRAUMBAAF-UHFFFAOYSA-N 444.904 4.355 5 20 IIBD COc1ccc(C(=O)Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)cc1[N+](=O)[O-] 503468643 KSCVQJOMFPQUOL-UHFFFAOYSA-N 445.475 4.378 5 20 IIBD CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3c3cccnc23)cc1 504615499 TUWKZEKLQOIWRY-UHFFFAOYSA-N 431.517 4.423 5 20 IIBD CNC(=O)c1ccc(Sc2nnc(-c3ccc(OC)cc3)n2CC(C)C)c([N+](=O)[O-])c1 507131101 CJEFPSPLUFBYMA-UHFFFAOYSA-N 441.513 4.029 5 20 IIBD COc1ccccc1CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 509110040 LLWBRLRLHPJFLI-JOCHJYFZSA-N 436.512 4.185 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCN(Cc2ccc(Cl)cc2)CC1 510836588 ILJNRCGJFFYNNL-UHFFFAOYSA-N 440.834 4.199 5 20 IIBD COC(=O)c1cc(C(=O)N(Cc2cccnc2)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1 511156654 PVWAPISDVWPDSC-UHFFFAOYSA-N 425.828 4.277 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)cc1SC 511742753 LYPVYGMJWNQESE-OAQYLSRUSA-N 443.569 4.356 5 20 IIBD O=[N+]([O-])c1cc(-c2nc([C@H](F)c3ccc(C(F)(F)F)cc3)no2)ccc1-n1cncn1 512038533 GNLVRCBHXCVFRB-OAHLLOKOSA-N 434.309 4.303 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H](c2cccs2)N(C)C)cc1 515193974 WGFPCOABKMLWDK-IBGZPJMESA-N 441.509 4.490 5 20 IIBD C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)Nc2ccccc2)cc1 515429636 VDJZZGSKTCOLFK-MRXNPFEDSA-N 434.452 4.495 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3ccc(N4CCCC4)nc3)cc2[N+](=O)[O-])C1 515498465 JSPYWUJGHRXGCI-QZTJIDSGSA-N 437.544 4.002 5 20 IIBD CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1Cl 515613238 RQGIIXVVGLICHL-UHFFFAOYSA-N 433.848 4.148 5 20 IIBD O=C(NC[C@]1(CO)C[C@@H]1c1ccccc1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 516123647 HGMKBELFEYZRQC-RDGATRHJSA-N 431.492 4.103 5 20 IIBD CN(Cc1ccccc1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C1CCCCC1 516544519 XJPSKPVCUIRERN-UHFFFAOYSA-N 425.485 4.018 5 20 IIBD O=C(Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 517248004 LFKLHJSZCWZHBJ-GOTSBHOMSA-N 439.512 4.132 5 20 IIBD C[C@H](Nc1ccc(C(=O)N(CCN(C)C)C2CCCCC2)cc1[N+](=O)[O-])c1ccccn1 520304955 JISBQGGXRXZJHR-SFHVURJKSA-N 439.560 4.499 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)Cn1nc(C)nc1-c1ccc(Cl)c(Cl)c1 520490348 QXQCACFUKYMQND-UHFFFAOYSA-N 436.255 4.116 5 20 IIBD Cn1cc(C(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 522515494 AGCFYZMIIGMNTD-WJOKGBTCSA-N 440.525 4.295 5 20 IIBD COc1ccc(OC(C)C)c(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c1 524670195 HKUUWQDDJGTGJA-UHFFFAOYSA-N 426.372 4.253 5 20 IIBD O=C(Nc1cccn(CC(F)(F)F)c1=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 531795428 NCDBMJADGXJBPG-UHFFFAOYSA-N 446.385 4.183 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)C(F)(F)F 532482252 YSECRZZXTCWSGG-HXUWFJFHSA-N 448.401 4.196 5 20 IIBD Cc1ccccc1O[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 533461927 LNLXUOVSERDNEX-HKUYNNGSSA-N 431.876 4.002 5 20 IIBD Cn1cc(CNC2CCN(c3nc4ccccc4s3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 537491486 AOYSCNCMSFAJGF-UHFFFAOYSA-N 448.552 4.364 5 20 IIBD O=C(N[C@H](CO)Cc1ccc(O)cc1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 538681243 XFVILXCFYQGGNN-KRWDZBQOSA-N 442.855 4.080 5 20 IIBD COc1cc(CN[C@H](C)c2ccc(NC(=O)C3CC3)cc2)c([N+](=O)[O-])cc1OC(F)F 539252491 KVWKLHBTRJDIFG-GFCCVEGCSA-N 435.427 4.404 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@H](n2cccn2)Cc2ccccc21 541260865 VLXNDAHCWFXKRU-MRXNPFEDSA-N 428.901 4.367 5 20 IIBD Cc1c(NC(=O)[C@@H](C)N[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)cccc1[N+](=O)[O-] 541614286 MFXDZNWDMRFGDM-HUUCEWRRSA-N 425.464 4.214 5 20 IIBD O=C(NC[C@@H]1CCCCS1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 543159981 WCUUNBMYPYRJKJ-HNNXBMFYSA-N 431.480 4.232 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 543924899 YKQZNJHOXOUYGE-IBGZPJMESA-N 446.385 4.013 5 20 IIBD O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(c2nc3cc(Cl)ccc3s2)CC1 544069729 NNJJLDPYMUPMLM-INIZCTEOSA-N 447.944 4.477 5 20 IIBD COc1cccc([C@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc2Cl)c1 544706690 PFLCFRJZCRDMGS-NRFANRHFSA-N 446.912 4.466 5 20 IIBD O=C1C[C@H](c2nc(Cc3ccccc3[N+](=O)[O-])no2)CN1c1cc(Cl)cc(Cl)c1 545529479 RAQWAEMBWSLJTL-LBPRGKRZSA-N 433.251 4.396 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(-c3ccc(Oc4cccnc4)cc3)no2)ccc1-n1cncn1 546369753 YJELUUJCXOQRDI-UHFFFAOYSA-N 427.380 4.080 5 20 IIBD CCOc1c(Br)cc(-c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)cc1OC 546966243 DTLFTKPKTQKRDU-UHFFFAOYSA-N 435.234 4.064 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(CCC4CCCCC4)no3)C2)cc1 547046066 NMIRMIWQMYTTQZ-QGZVFWFLSA-N 448.545 4.059 5 20 IIBD CCOc1ccc(Br)cc1-c1noc(-c2n[nH]c3ccc([N+](=O)[O-])cc23)n1 547050123 FLFWSMHNWVIIHE-UHFFFAOYSA-N 430.218 4.349 5 20 IIBD CC[C@@H]1CN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C[C@H]1O 551467918 UQUSEXAXXFAJEY-MLGOLLRUSA-N 429.523 4.199 5 20 IIBD CCc1ccc([C@@H]2CCCN(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)C2)cc1 553589348 JKDXULVHSVSYAC-RTBURBONSA-N 441.553 4.230 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CN3CCCC[C@@H]3c3nnc([C@H]4CCCO4)o3)co2)cc1 554275999 KYPQXJLQJRCBJR-QZTJIDSGSA-N 425.445 4.212 5 20 IIBD Cc1cc(I)ccc1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] 554351044 NNNCMJCHHCXDLE-UHFFFAOYSA-N 439.253 4.214 5 20 IIBD CCc1nc(C)c(CNC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)o1 558190431 IHTILVFHAQDBQP-UHFFFAOYSA-N 439.493 4.337 5 20 IIBD Cc1ccc([C@@H](NC(=O)CN2CCOc3ccc([N+](=O)[O-])cc3C2)c2cccs2)cc1 558484033 QJUSQTKHTIDTQV-HSZRJFAPSA-N 437.521 4.065 5 20 IIBD COc1cccc(C(=O)CCCC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 560055232 RRKFEODYBJQOPU-UHFFFAOYSA-N 426.469 4.026 5 20 IIBD O=C(Nc1cccc(-c2nc(O)n[nH]2)c1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 560719104 MZHWYCLCISRADT-UHFFFAOYSA-N 433.449 4.489 5 20 IIBD CSc1cccc(C(=O)N(C)CC(=O)NC(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 566026812 ICWLMONFAMWNKT-UHFFFAOYSA-N 449.532 4.295 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(-c3ccccc3OC(F)(F)F)no2)c1N1CCOCC1 568931956 UXTIFLAMTAWEHJ-UHFFFAOYSA-N 436.346 4.047 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCCN2c3ccccc3C[C@H]2C1 570371523 QPEGCYRJPOKYCQ-SFHVURJKSA-N 445.469 4.237 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2nccs2)cc1[N+](=O)[O-] 573151977 CHQKRBCASAQJSE-SFHVURJKSA-N 438.509 4.193 5 20 IIBD O=C(CCCSc1ccc(Cl)cc1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 580354760 SFFSZKMPHALOOX-UHFFFAOYSA-N 447.944 4.105 5 20 IIBD COc1cc(Cc2noc([C@H]3C[C@H]3c3cc(F)c(F)c(F)c3)n2)c([N+](=O)[O-])c(OC)c1 582991418 OKHKVTUNWZRKRW-STQMWFEESA-N 435.358 4.274 5 20 IIBD O=C(N[C@H]1C[C@H](c2ccccc2Cl)C1)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 590531337 YTUKDSAUEPVNTR-HAQNSBGRSA-N 429.889 4.194 5 20 IIBD CCOC(=O)CC1CCN([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC1 603554542 BFXGRTHQODDNMK-QHCPKHFHSA-N 439.512 4.248 5 20 IIBD CC(C)Oc1ncccc1CNc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 603862294 NUWRMJAANAGQQR-UHFFFAOYSA-N 442.497 4.190 5 20 IIBD CCOC(=O)C1CCC(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 604542441 LPXCBPLTQYCWJZ-HJOIGYKYSA-N 440.500 4.015 5 20 IIBD COc1ccc(NC(=O)c2cc3ccccc3c3cccnc23)cc1S(=O)(=O)NC1CC1 606807620 RAJMFRYAOXSZFE-UHFFFAOYSA-N 447.516 4.090 5 20 IIBD O=C1[C@H](Sc2nnc(C3CC3)n2Cc2ccccc2)CCN1c1cccc([N+](=O)[O-])c1 609449963 KUSQVTLMNXOUEJ-LJQANCHMSA-N 435.509 4.010 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N(C)[C@@H]3CCCN(c4ccccc4)C3)cc2)c(C)c1[N+](=O)[O-] 609647293 GAOHWAAJVZDRSI-HSZRJFAPSA-N 447.539 4.197 5 20 IIBD C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 609925270 JCMHXTCTPIODDJ-LLVKDONJSA-N 441.387 4.340 5 20 IIBD COc1cc(C(=O)Nc2ccc(Oc3cccc(S(C)(=O)=O)c3)cc2)ccc1[N+](=O)[O-] 609981516 LRUPNVSFBILIDE-UHFFFAOYSA-N 442.449 4.052 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)Nc1ccc(-c2cc[nH]n2)cc1)c1ccccc1[N+](=O)[O-] 610142944 OURTVXFYANCCDV-IBGZPJMESA-N 437.456 4.189 5 20 IIBD CS(=O)(=O)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)c1 611202271 LVKMIRPYZKNISF-UHFFFAOYSA-N 434.539 4.426 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(N)=O)(c2ccccc2)CC1 611478755 BBFMHEMXOOILHY-UHFFFAOYSA-N 441.553 4.146 5 20 IIBD C[C@H](c1nnc(Sc2ncnc3ccc([N+](=O)[O-])cc23)n1-c1ccc(F)cc1)N(C)C 611703400 SCOWPWJPJILFAJ-GFCCVEGCSA-N 439.476 4.032 5 20 IIBD CC(C)(C)OC(=O)N1CCc2cc(NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)ccc21 726507709 AYUZUVUBDFJHKY-UHFFFAOYSA-N 449.467 4.330 5 20 IIBD COc1ccc(CC(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)cc1[N+](=O)[O-] 727667881 SXERFKPOHOTIOC-UHFFFAOYSA-N 425.485 4.189 5 20 IIBD Cc1c(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)sc2nc3n(c(=O)c12)CCCCC3 727712114 QGXORUDQZPBIGH-UHFFFAOYSA-N 432.889 4.307 5 20 IIBD O=C(OCc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 728992749 VFHPUEXUOMXXCV-KRWDZBQOSA-N 441.242 4.389 5 20 IIBD C[C@@H](c1ccccc1)c1ccc(OC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 729114045 NSWAAABVDVONRZ-KRWDZBQOSA-N 433.464 4.151 5 20 IIBD O=C(CCc1nc2cc(Cl)ccc2s1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 730448704 YOTRBJSYMKMFQF-UHFFFAOYSA-N 430.917 4.139 5 20 IIBD Cc1c(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 730970510 XMOADBFHFLQPBS-UHFFFAOYSA-N 438.444 4.250 5 20 IIBD O=C(CCC(=O)c1ccc2ccccc2c1)O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 731505921 WBFWFPBHWLUAEO-QFIPXVFZSA-N 432.432 4.060 5 20 IIBD Cc1cc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)ccc1N1CCCC1 731782147 KKPLPPBLPUCYHH-UHFFFAOYSA-N 440.319 4.067 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NC(=O)OC(C)(C)C 731976322 OWRIEFFNGZYNNU-OAHLLOKOSA-N 449.891 4.253 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(CN(C)C(=O)OC(C)(C)C)c1 732526122 ZZMHZRBEGLMLHR-UHFFFAOYSA-N 435.502 4.071 5 20 IIBD CCOC(=O)c1oc2ccccc2c1CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] 732567831 CZFPIHGLLFKATO-UHFFFAOYSA-N 448.435 4.094 5 20 IIBD O=C(O[C@@H]1CCCN(C(=O)c2ccccc2Cl)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 732613697 DMRGVYUKPTYSGX-CQSZACIVSA-N 427.844 4.191 5 20 IIBD O=C(NS(=O)(=O)c1cc([N+](=O)[O-])cs1)c1ccccc1SCc1cccs1 732618951 METFCFBHVMLPSM-UHFFFAOYSA-N 440.549 4.129 5 20 IIBD CO[C@@H](CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C(F)(F)F 733239408 CDYADPJZGZWECT-INIZCTEOSA-N 431.798 4.167 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1cc([N+](=O)[O-])ccc1Cl 733389015 AVZMHIXLQGBPHP-OAHLLOKOSA-N 428.750 4.229 5 20 IIBD O=C(COC(=O)c1ccc(Oc2ccncc2)c(Cl)c1)Nc1cccc([N+](=O)[O-])c1 733930814 IVYNQCGLNGAOID-UHFFFAOYSA-N 427.800 4.231 5 20 IIBD O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(c1ccccc1)c1ccccc1 735333292 AKGWGXSXOODFAP-UHFFFAOYSA-N 432.432 4.268 5 20 IIBD O=C(CC1CCOCC1)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 735359875 MLIWQBLCLBNDSD-HXUWFJFHSA-N 432.860 4.288 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1 735820311 ATENXTIALKQHCL-UHFFFAOYSA-N 445.903 4.203 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2c(F)cc(O)cc2F)c2ccccc2)c([N+](=O)[O-])c1 735952736 RZBKZCXMBAAQRM-FQEVSTJZSA-N 442.374 4.424 5 20 IIBD CN1C(=O)C[C@@H](COC(=O)CSc2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc(Cl)c1 737378866 DJXJLDDLANICGR-VBKZILBWSA-N 434.901 4.103 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(c2ncnc3sccc23)C1 742686707 RCCSBLSUAHNJJD-GFCCVEGCSA-N 431.905 4.416 5 20 IIBD Cc1cc(C2=N/C(=C\c3cc(Cl)ccc3OC[C@H]3CCCO3)C(=O)O2)ccc1[N+](=O)[O-] 743280764 IMWDERBZIOFCCJ-LVSMMTLPSA-N 442.855 4.459 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@@H](C)Oc3ccccc3F)CC2)ccc1[N+](=O)[O-] 744204879 RZLUTOOYDSMEDD-OAHLLOKOSA-N 432.448 4.112 5 20 IIBD Cc1ccc(C)c(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 744554060 KIUYKXKFMWFZRH-KRWDZBQOSA-N 425.485 4.386 5 20 IIBD Cc1c(C(=O)O[C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 744769452 NPQOEFHDXNQBGP-LLVKDONJSA-N 446.803 4.357 5 20 IIBD COc1ccc(-c2ncc(C(=O)OCC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])s2)cc1 745559072 UKWBHRGLHDFVTI-UHFFFAOYSA-N 447.856 4.176 5 20 IIBD C[C@@H](OC(=O)c1ccc(F)c(Br)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 745574017 HLDVPLIMPTYNKH-SECBINFHSA-N 436.193 4.464 5 20 IIBD C[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])c2ccccc2N1C(=O)c1ccccc1[N+](=O)[O-] 746438517 FBADDTZIPMVVGB-OAHLLOKOSA-N 446.419 4.199 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 747422255 UFSZWBQTTYQMNN-QWHCGFSZSA-N 445.438 4.379 5 20 IIBD CC1=C(C(=O)N(C)C)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=S)N1c1cccc(F)c1 747961183 ULBPLPLHHSBOIP-SFHVURJKSA-N 448.907 4.185 5 20 IIBD Cc1c(C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748630470 LBLVSALXWSBBLV-UHFFFAOYSA-N 448.435 4.302 5 20 IIBD Cc1ccc([C@H](NC(=O)COC(=O)c2ccc(Br)cc2[N+](=O)[O-])C2CC2)cc1 750964910 NPTBDTAAAFTFBC-IBGZPJMESA-N 447.285 4.090 5 20 IIBD COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 752415874 BTGXWNSRSXKHGW-QRWLVFNGSA-N 443.500 4.355 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC(Oc2ccccc2Cl)CC1 754037150 WYMUZMCTLSZDBI-UHFFFAOYSA-N 431.297 4.134 5 20 IIBD CC(C)(C)NC(=O)c1cccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c1 754985362 FCULRQBJPPHRFR-UHFFFAOYSA-N 438.253 4.277 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 756652601 OMFSKNILXCJUEQ-STQMWFEESA-N 433.427 4.035 5 20 IIBD CC(=O)N1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c2ccccc21 757642521 NEVRQWNLGDZZCG-NRFANRHFSA-N 436.512 4.059 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCc2nnc(-c3ccccc3)s2)CC1 760008001 PTKKUNVXCHOIHB-UHFFFAOYSA-N 437.525 4.280 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 762279937 OPGBGBBFHCRLCN-CYBMUJFWSA-N 435.889 4.266 5 20 IIBD O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCO[C@@H](c2ccccc2Br)C1 762971548 NAVHVQXFFBPZSB-QGZVFWFLSA-N 430.258 4.052 5 20 IIBD COc1cc(CSc2nnc(Cc3cccc4ccccc34)n2N)c([N+](=O)[O-])cc1F 766034755 JPVWFQIBUIMGST-UHFFFAOYSA-N 439.472 4.084 5 20 IIBD C[C@@H](OC(=O)CCc1cc2ccccc2nc1O)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 767786483 IJQMQTUSZRCDCE-CYBMUJFWSA-N 434.408 4.136 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(-c3ccc(SCCC(C)C)c([N+](=O)[O-])c3)n2)n1C 771462337 HGIRGCNCPZMFIF-UHFFFAOYSA-N 432.462 4.400 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)OCc2nnc(C)s2)cc1[N+](=O)[O-] 773431315 UBQHIRPCZLFHOI-UHFFFAOYSA-N 429.479 4.065 5 20 IIBD CC(C)([C@@H](OC(=O)C[C@H]1CSCCS1)c1ccc(Br)cc1)[N+](=O)[O-] 774375824 SZANZYMNYDWQBI-ZFWWWQNUSA-N 434.377 4.327 5 20 IIBD O=C(NC[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1)Nc1cccc(F)c1 775597150 STEUWVFELXKTIR-ZDUSSCGKSA-N 449.870 4.453 5 20 IIBD C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)c1nc2ccccc2n1C(F)F 776288291 FAFKFLFTGRQJBA-CYBMUJFWSA-N 446.410 4.094 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 778761751 SKMCDVDWWHLANI-OSGPJOMKSA-N 444.484 4.237 5 20 IIBD O=C(O[C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 781268608 OZGNZKNYIIZQFS-QHCPKHFHSA-N 426.472 4.029 5 20 IIBD COc1ccc(CN(C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccncc2)cc1 781680617 CNNHENSGLPNWBJ-UHFFFAOYSA-N 436.424 4.073 5 20 IIBD Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C)c1ccc(F)cc1 784739866 BKMJTXROBWEEKW-NSHDSACASA-N 431.283 4.187 5 20 IIBD COCc1noc([C@H](C)OC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)n1 785035433 LZOOVKQICCRIHY-LBPRGKRZSA-N 446.847 4.308 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 790566273 WWWCHWKIMOKQJO-FQEVSTJZSA-N 443.903 4.083 5 20 IIBD Cc1c([C@H](C)OC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)oc2ccccc12 792552695 AMSZIKRIJCBJNJ-HNNXBMFYSA-N 433.420 4.422 5 20 IIBD COc1ccc([C@H](O)C2CCN(C(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])CC2)cc1 794461964 NYGNEUOTJYXALM-DEOSSOPVSA-N 447.491 4.251 5 20 IIBD C[C@@H]1CN(c2ccc(NC(=O)N(C)CCc3cccc([N+](=O)[O-])c3)cc2F)C[C@@H](C)O1 800915073 DNVQIOVJGXETAQ-HZPDHXFCSA-N 430.480 4.054 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(I)c1)c1ncoc1-c1ccccc1 801700189 TXRBHAXALJIYJU-UHFFFAOYSA-N 435.177 4.107 5 20 IIBD O=C(Nc1ccccc1C(=O)NCc1cnn2ccccc12)c1ccc([N+](=O)[O-])cc1Cl 804445478 GGDUAIZHCFFBHW-UHFFFAOYSA-N 449.854 4.078 5 20 IIBD COCC1(CNc2ccc([N+](=O)[O-])c3cnccc23)CCN(C(=O)OC(C)(C)C)CC1 804719112 GTLWFIZSXCGAKF-UHFFFAOYSA-N 430.505 4.219 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)c(C)cc1Br 809101168 SDWDPWVMWYVYNQ-UHFFFAOYSA-N 425.210 4.152 5 20 IIBD CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 813249528 NVAFHYDNSOZJOA-SNVBAGLBSA-N 431.297 4.186 5 20 IIBD O=[N+]([O-])c1c(Cl)cccc1OS(=O)(=O)c1cnc2onc(-c3ccccc3)c2c1 815056957 FMMANXYWWYFBHI-UHFFFAOYSA-N 431.813 4.219 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(NCCc3cnc(SC4CCCC4)nc3)CC2)cc1 815655763 BEEZZIAEGHBQRO-UHFFFAOYSA-N 427.574 4.221 5 20 IIBD O=C(COC(=O)CSc1ccccc1[N+](=O)[O-])Nc1ccc(OC(F)F)c(Cl)c1 819019237 JHTLWSUFROEZPJ-UHFFFAOYSA-N 446.815 4.124 5 20 IIBD Cc1cccc(C(=O)Nc2ccccc2C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 847383831 KWJDIVYRHRXTSL-MRXNPFEDSA-N 447.447 4.340 5 20 IIBD Cc1c(C(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)cc([N+](=O)[O-])cc1[N+](=O)[O-] 914735511 QSDRJTTZSVZAFP-UHFFFAOYSA-N 435.318 4.268 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cn(-c2ccccc2C(F)(F)F)nn1 914833010 LGBJTLJSJAGTTN-UHFFFAOYSA-N 439.781 4.120 5 20 IIBD O=C(CC(c1ccccc1)c1ccccc1)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 915818715 CGGAXTGGSWKHQJ-UHFFFAOYSA-N 444.896 4.275 5 20 IIBD CC1=C(C(=O)N(C)C)[C@@H](c2ccccc2[N+](=O)[O-])NC(=S)N1c1ccc(F)c(Cl)c1 916167749 DNPBSPDUGOGKEU-GOSISDBHSA-N 448.907 4.185 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(-n2ccnc2O)c1 917403700 VBAMEPGWMAJPSI-UHFFFAOYSA-N 438.387 4.236 5 20 IIBD COc1ccc(C(=O)OCC(=O)N[C@H](c2ccccc2)C2CCCCC2)cc1[N+](=O)[O-] 918876056 MZEAJAUJYJFRLB-JOCHJYFZSA-N 426.469 4.198 5 20 IIBD CC(C)OCc1ccc(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])cc1 919962088 VOEICVUXLCHUIS-UHFFFAOYSA-N 429.292 4.083 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC(=O)Nc1ccc2ccccc2c1 920776711 CBXOMYYLJPGRTB-CYBMUJFWSA-N 428.828 4.351 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CN3CCC(O)(Cc4ccccc4F)CC3)cs2)c1 1116842768 IIUYBTACPKISQE-UHFFFAOYSA-N 427.501 4.427 5 20 IIBD Cc1csc(CCCNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)n1 1318648853 AOAUTKMMUKYCBS-UHFFFAOYSA-N 440.312 4.215 5 20 IIBD O=C(c1cc(Cl)ccc1I)N1Cc2ccc([N+](=O)[O-])cc2C1 1318862586 DNHSBEITTHXQOG-UHFFFAOYSA-N 428.613 4.009 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] 1319648096 JWUYWQWHDNZISU-DJJJIMSYSA-N 433.867 4.178 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NC3CCC(O)(C(F)(F)F)CC3)cc2[N+](=O)[O-])C1 1319717771 UUTSUPZRRVOKPU-YHLAAPATSA-N 443.466 4.043 5 20 IIBD O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 1320697526 OLXUMLCRDRPKNS-LJQANCHMSA-N 426.423 4.125 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)n1 1321297397 KXQGCKJNVXFXNK-UHFFFAOYSA-N 437.250 4.352 5 20 IIBD CC(C)(C)S(=O)(=O)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 1343962761 ZEFAZQZQWGZEMY-UHFFFAOYSA-N 428.919 4.258 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)O[C@H]2CCCC[C@H]2C(F)(F)F)cc1[N+](=O)[O-] 1515054090 JWWXDSMYHQJLHB-YPMHNXCESA-N 430.408 4.152 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3cccnc3Cl)cc2)CCC1)c1ccc([N+](=O)[O-])[nH]1 1785753737 IFWAUSPWXDKRCK-UHFFFAOYSA-N 439.859 4.033 5 20 IIBD O=C(NC1(c2ccc(NC(=O)C34CC(F)(C3)C4)cc2)CCC1)c1ccc([N+](=O)[O-])cc1F 1786424899 MZLIJBIHQVVCDB-UHFFFAOYSA-N 441.434 4.374 5 20 IIBD Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ocnc4C)CCC3)cc2)cc1[N+](=O)[O-] 1790526011 IAEQDBQWZGZKAX-UHFFFAOYSA-N 448.479 4.190 5 20 IIBD CCCCC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C2 1801716869 MAHNYABHXNSRBA-CVXXAKHLSA-N 427.545 4.463 5 20 IIBD Cc1ccccc1CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc(C)c([N+](=O)[O-])c1)C2 1801768800 KNTHEPXDVXARBS-NUNAXRQHSA-N 449.551 4.025 5 20 IIBD O=C(c1ccc(F)c(F)c1)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823615732 WKTCTVJJKRVVGS-GOSISDBHSA-N 447.438 4.013 5 20 IIBD CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)CC2)CCCC1 1823844361 RPIRWYPQAZEWFU-JCOOBLOPSA-N 443.544 4.401 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC2(CCCN2C(=O)c2ccccc2F)C1 1844853361 PHMATAFPEDWZMQ-UHFFFAOYSA-N 439.468 4.079 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCCCn3ccc4ccccc43)cc2)c(C)c1[N+](=O)[O-] 14938535 VEBVMYQOXHAUOV-UHFFFAOYSA-N 431.496 4.231 5 20 IIBD Cc1c(NC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)cccc1[N+](=O)[O-] 15790836 HCPHYGOKGURGFF-HOTGVXAUSA-N 425.485 4.324 5 20 IIBD Cc1ccc(Nc2nn(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=S)s2)cc1 16081802 PRFDIASTCNGBMD-UHFFFAOYSA-N 442.570 4.414 5 20 IIBD CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)Oc3ccc([N+](=O)[O-])c(C)c3)cc2)cc1 16732996 PNJNYVAXLZHKAU-UHFFFAOYSA-N 426.450 4.296 5 20 IIBD O=C(OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1sc2cc(F)ccc2c1Cl 16752839 HZWCVNYFDKXKSQ-UHFFFAOYSA-N 434.832 4.348 5 20 IIBD COc1ccc2[nH]cc(C3=CCN(C(=O)c4ccn(-c5cccc([N+](=O)[O-])c5)n4)CC3)c2c1 32337554 LHKVJSMMVUVVGU-UHFFFAOYSA-N 443.463 4.200 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(Br)ccc1I 32517299 YAROGVLVAWPOBO-UHFFFAOYSA-N 447.026 4.214 5 20 IIBD O=C(CN(Cc1ccccc1F)C(=O)c1csc([N+](=O)[O-])c1)Nc1ccccc1F 58494786 VHSRMDIUXXIKHG-UHFFFAOYSA-N 431.420 4.216 5 20 IIBD CCOc1cc(NC(=O)COc2cccc(Br)c2)c([N+](=O)[O-])cc1OCC 61124448 NSSJWJSTFYSIPJ-UHFFFAOYSA-N 439.262 4.172 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(C(=O)N(C)C)c(Cl)c1 64421446 AYJKFLXLQQQNDP-JTQLQIEISA-N 426.256 4.009 5 20 IIBD O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccccc1-c1ccc(Cn2cccn2)cc1 110614766 SSIDVBBSHXOADB-UHFFFAOYSA-N 426.476 4.366 5 20 IIBD O=C(Cn1cnc([N+](=O)[O-])n1)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 216041546 NDFWNQYSVXZXSJ-WLLKLOIBSA-N 442.479 4.010 5 20 IIBD COc1ccc(Oc2cc(CNCc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)ccn2)cc1 237313958 CULRXDLSDBQDPM-UHFFFAOYSA-N 445.479 4.481 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c([N+](=O)[O-])c1 301346640 JZCNYGONGBSJHG-WMQCIHAUSA-N 445.541 4.035 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2ncnc3sc(-c4ccccc4)cc23)CC1 301356833 NJGRWAPNHSZXHI-UHFFFAOYSA-N 445.504 4.229 5 20 IIBD COC[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(F)c(F)c1 426234012 YACLMAXPLAIHRM-INIZCTEOSA-N 433.333 4.079 5 20 IIBD Cc1cc(NC(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)ccc1Oc1ccncc1 427080260 GCVRHYDTSGDXJD-UHFFFAOYSA-N 448.479 4.168 5 20 IIBD CN(C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C(C)(C)C(=O)O 431457408 LXJYVAJISSRHNL-NTCAYCPXSA-N 439.493 4.457 5 20 IIBD C[C@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)NC2CC2)cc1 431783327 HFZMJODJJUKCPK-AWEZNQCLSA-N 425.489 4.174 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H](C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 435377857 FWVXRXFDKHNXCV-ZDUSSCGKSA-N 444.509 4.008 5 20 IIBD C[C@H]1C[C@@H](C)CN(CCCCNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 436009209 WOAJVLOWRIFFBH-IYBDPMFKSA-N 441.522 4.447 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCO[C@@H](c2cccc(Br)c2)C1 436385795 OQEMXOOMGGDPLD-CQSZACIVSA-N 432.196 4.349 5 20 IIBD C[C@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@H](c2ccccc2)CO1 437716257 GTMWFWGREICSTJ-ZBEGNZNMSA-N 431.297 4.052 5 20 IIBD COc1cc(Oc2ccccc2)ccc1NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 438199829 GSMPQEBBGJNSRN-OAHLLOKOSA-N 435.436 4.153 5 20 IIBD CC(C)C1CCC(N2CCN([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)CC1 438563161 UMUJVEVWXIITGX-AOCRQIFASA-N 436.984 4.408 5 20 IIBD COc1cc([C@H](C)NC(=O)Cc2cccc([N+](=O)[O-])c2C)ccc1OCc1ccncc1 438905487 XPEGHKXSOUIFKP-KRWDZBQOSA-N 435.480 4.306 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1 443949751 SVQDPRXGTNOZPV-CALCHBBNSA-N 426.517 4.143 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1cc(Br)cc(C(F)(F)F)c1 444630740 IHSRGSBQDZTLND-UHFFFAOYSA-N 443.179 4.182 5 20 IIBD CCN(CC)C(=O)Cc1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 444852173 BBEFPWCDOKHACZ-UHFFFAOYSA-N 440.319 4.082 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)Cc1noc(/C=C/c2ccc([N+](=O)[O-])cc2)n1 445318525 LAFZVCOYYSHSKJ-VMPITWQZSA-N 428.832 4.300 5 20 IIBD O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1sc(Br)cc1[N+](=O)[O-] 446024554 SRPQTFDYVWSZQF-GFCCVEGCSA-N 437.275 4.399 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCN(c2ccc(Cl)cn2)CC1 447687880 FEAZGXICVLTWFX-UHFFFAOYSA-N 437.756 4.019 5 20 IIBD CCc1nnc(CN(c2ccc([C@H](C)CC)cc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)o1 448133181 VNHAPTOHOBJSJW-OAHLLOKOSA-N 444.513 4.449 5 20 IIBD CN(C(=O)C1CCC(NC(=O)C(C)(C)C)CC1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 448342053 OCJMOZYSNOITLB-UHFFFAOYSA-N 444.557 4.402 5 20 IIBD CCn1c(CSc2ccccc2OC)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 460180818 ZTOFLAILKUHJQH-UHFFFAOYSA-N 425.514 4.070 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nc(O)c(C)c(-c2ccccc2)n1 460432337 ZCLNOYQQQIZCCB-ZDUSSCGKSA-N 440.481 4.194 5 20 IIBD CC(C)[C@@H](Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)c1nc(-c2ccncc2)no1 462484997 BIQJGNJCPGBXEZ-HXUWFJFHSA-N 446.467 4.823 5 20 IIBD COc1cc(CN2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c([N+](=O)[O-])cc1F 464676853 JRHAQLUGGJSGCD-UHFFFAOYSA-N 439.846 4.386 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@@H](c1c(Cl)cccc1Cl)C1CC1 464714392 UHSUVYHCXACXFA-GOSISDBHSA-N 436.251 4.077 5 20 IIBD C[C@H]1CCN(CCOc2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 465180828 BHLUJOZMOZCHAI-JKSUJKDBSA-N 447.919 4.375 5 20 IIBD CC(=O)NCC1CCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CC1 466626981 RLXTWTGMBDJPSU-UHFFFAOYSA-N 447.944 4.388 5 20 IIBD COc1cc(C(=O)N(Cc2cccs2)CC(F)(F)F)c([N+](=O)[O-])cc1OC(F)F 470797357 ZNVDHSYCEJVGSE-UHFFFAOYSA-N 440.346 4.471 5 20 IIBD CC(C)c1nnc(CCC(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)o1 474283254 MJHMSQAXBURNHE-UHFFFAOYSA-N 436.428 4.118 5 20 IIBD COc1ccccc1C[C@H](NC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C(C)C 477512610 DNPCREHKUWSJRG-HNNXBMFYSA-N 438.427 4.211 5 20 IIBD COc1cc(C(=O)NCCc2csc(-c3ccccc3)n2)c([N+](=O)[O-])cc1OC(F)F 478045240 ZRMDBBNAKHVURN-UHFFFAOYSA-N 449.435 4.301 5 20 IIBD CS(=O)(=O)c1cccc([C@@H](NCc2ccc([N+](=O)[O-])cc2F)c2ccc(F)cc2)c1 478253895 JABLKWKRNAGWDC-NRFANRHFSA-N 432.448 4.156 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F 478436246 QPJQCNSGPOHQDC-OAHLLOKOSA-N 437.201 4.313 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1ccnc(-c2ccccc2)c1 479240895 HRZINLUGMGFNHU-UHFFFAOYSA-N 434.271 4.220 5 20 IIBD Cc1nc2cc(Cl)c(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)cc2s1 484663105 HRAZRSRTVGADGI-CYBMUJFWSA-N 434.861 4.003 5 20 IIBD COc1cc(C(=O)N2CCC(CC(=O)O)CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 485466025 MEXKHLQTTHWEBR-UHFFFAOYSA-N 448.859 4.376 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N1CCOc2ccc(Br)cc21 485695880 PVDWNAZETZUCRY-UHFFFAOYSA-N 448.092 4.221 5 20 IIBD Cc1cc(-c2csc(NC(=O)[C@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)n2)c(F)cc1F 485814598 BCBYYTRLDUARSM-NSHDSACASA-N 446.435 4.062 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)cc1SC 486017056 OAIYRKZPVWPDFZ-AWEZNQCLSA-N 435.571 4.029 5 20 IIBD C[C@H](Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1nc(C(F)(F)F)cs1 486511801 WVWLRQKYTFPKNN-QMMMGPOBSA-N 445.810 4.443 5 20 IIBD COC(=O)c1cc(NC(=O)C2(c3ccccc3Cl)CCOCC2)c(C)c([N+](=O)[O-])c1 489751892 IUAINYUZWPFUIL-UHFFFAOYSA-N 432.860 4.030 5 20 IIBD CCOc1ccc(-c2noc(CCC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)n2)cc1 490396720 FBWZRDKBYSHJOA-UHFFFAOYSA-N 436.468 4.167 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](OCCN2CCCCC2)C1 490591450 XXHMABGKHLEFMX-LJQANCHMSA-N 435.590 4.060 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CN[C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 491027021 ADNLDMZMKJIUGT-QHCPKHFHSA-N 440.521 4.195 5 20 IIBD CN(Cc1cc(Br)ccc1Cl)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 494296896 ZCLWEASLNYRXCD-UHFFFAOYSA-N 447.738 4.015 5 20 IIBD COc1ccccc1Oc1ccc(CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])cc1 497536925 FMGVFHLXOHRDQR-UHFFFAOYSA-N 428.466 4.411 5 20 IIBD COc1ccc(CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c(Cl)c1OC 500606175 IWDIDALETGYLIE-UHFFFAOYSA-N 443.681 4.000 5 20 IIBD CCOc1ccc([C@H](NC(=O)CCn2cc([N+](=O)[O-])nc2C)c2cccc(Cl)c2)cc1 502368282 UKTZYVRLFMIURT-QFIPXVFZSA-N 442.903 4.448 5 20 IIBD Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 504112728 VMEPYFULVYVOJZ-MRXNPFEDSA-N 449.511 4.202 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CCCN2CCOCC2)CC1 507829451 VYGZLPGRICQQKV-UHFFFAOYSA-N 435.590 4.062 5 20 IIBD CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 509871411 RXORYYSJAIQXHP-UHFFFAOYSA-N 448.317 4.030 5 20 IIBD COc1ccc(CSCC(=O)NCC2(c3ccccc3C)CCOCC2)cc1[N+](=O)[O-] 511364769 DSVYMBBDCOWUJB-UHFFFAOYSA-N 444.553 4.010 5 20 IIBD Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1[N+](=O)[O-] 511395344 QTJUYNNQOGWRCC-NVXWUHKLSA-N 435.402 4.313 5 20 IIBD O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 513843009 RWAYUJRYNPPLCN-UHFFFAOYSA-N 431.473 4.328 5 20 IIBD CCOc1ccc([C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C(C)C)cc1OCC 514844580 TZUOZRJBRACZFH-OAQYLSRUSA-N 430.457 4.248 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 515395440 NGZQKMQCAXNLPU-HXUWFJFHSA-N 442.475 4.271 5 20 IIBD C[C@H](Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 515715441 PUODUFPWSWBEPQ-HNNXBMFYSA-N 436.443 4.354 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OCC(F)(F)F)cc1 516795214 XYSZLQIZWHCJDY-JTQLQIEISA-N 445.781 4.005 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1cc(F)ccc1Br 518833048 VKEITSLWCUNKCM-SECBINFHSA-N 431.645 4.234 5 20 IIBD CCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)cc1[N+](=O)[O-] 520554434 PLGMWIKOKWDYGL-HNNXBMFYSA-N 425.485 4.426 5 20 IIBD C[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1nc2ccccc2n1C(F)F 521390172 LEAIGPTZFXXUEH-GFCCVEGCSA-N 426.383 4.016 5 20 IIBD O=C1[C@H](SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCN1c1ccccc1Cl 522716210 VNFDXIBTMQHBRH-GOSISDBHSA-N 447.900 4.085 5 20 IIBD O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 523726071 GWJUQAOOJCRUKP-YTTGMZPUSA-N 446.488 4.341 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cc(C(=O)N2CCCCC2)ccc1Cl 524163655 TVVZZBJPVQZQRX-UHFFFAOYSA-N 440.887 4.468 5 20 IIBD O=C(CNc1ccc([N+](=O)[O-])cc1Br)Nc1ccc(Br)cc1 524689748 UIZJDLMNCPTKEY-UHFFFAOYSA-N 429.068 4.170 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N(Cc1cccc(-c2cccnc2)c1)C1CC1 532702799 MHXLAWJHPLNALM-UHFFFAOYSA-N 431.448 4.233 5 20 IIBD O=C(Cn1c(COc2ccccc2)nc2ccccc21)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 534010364 NOTAGSCGLCIWDP-UHFFFAOYSA-N 442.435 4.039 5 20 IIBD CN1CCc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)sc2C1 534261860 IWGBJMFRNJJVDQ-UHFFFAOYSA-N 426.523 4.443 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H]1CCCN(c2ccccc2F)C1 535696390 QHDRVMRIJOXNAF-SFHVURJKSA-N 429.495 4.079 5 20 IIBD COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1O 536311581 ZFMAYBLVUZCHLF-UHFFFAOYSA-N 430.420 4.414 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(S(=O)(=O)N(C)C2CC2)cc1 538191165 PQTGRJBOIQLYAI-UHFFFAOYSA-N 449.554 4.131 5 20 IIBD C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 538797928 FLQXBUNUHRDRLB-STQMWFEESA-N 441.488 4.162 5 20 IIBD CCCS(=O)(=O)c1ccccc1C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 539356037 KPSRSOZOEHNFBW-UHFFFAOYSA-N 445.522 4.179 5 20 IIBD C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 539974461 QZNCGBNNXDOPOR-INIZCTEOSA-N 428.452 4.071 5 20 IIBD Cc1ccc(-n2nc(NC(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)cc2C)cc1 540557866 AEEYSTHAGSZZNV-UHFFFAOYSA-N 435.484 4.473 5 20 IIBD O=C(N[C@H]1COc2ccccc2C1=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 542648022 HHDUOXWWTFEZOO-SFHVURJKSA-N 426.494 4.251 5 20 IIBD C[C@H](NC(=O)NCCc1c[nH]c2ccc(Br)cc12)c1ccccc1[N+](=O)[O-] 544101200 NXBDNGUPKGUAHK-LBPRGKRZSA-N 431.290 4.442 5 20 IIBD CCOc1cccc(NCc2cccnc2Oc2cccc(S(C)(=O)=O)c2)c1[N+](=O)[O-] 545166727 BUSDTZHGFTVWBB-UHFFFAOYSA-N 443.481 4.196 5 20 IIBD Cc1nn(Cc2ccc(-c3nc(-c4cccnc4N4CCCC4)no3)cc2)c(C)c1[N+](=O)[O-] 546373480 SCVIZRCQDFFZIU-UHFFFAOYSA-N 445.483 4.169 5 20 IIBD COc1cc(-c2nc(CCc3ccccc3Br)no2)cc([N+](=O)[O-])c1OC 547164415 ZEZLAZWMEZRWRB-UHFFFAOYSA-N 434.246 4.210 5 20 IIBD O=C(NCCCc1nc(-c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)no1)c1ccco1 547189429 FWOBNXIGBCNNAD-UHFFFAOYSA-N 434.408 4.393 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(Oc2ccc(N(C)C(=O)c3ccc(Cl)cc3)cc2)n1 553396302 XAAYBWRWLRWNPG-UHFFFAOYSA-N 441.827 4.499 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 553793175 OZOXBKHVCFXUSK-WBVHZDCISA-N 446.529 4.253 5 20 IIBD O=C(c1ccc(F)cc1)N1CCCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 555295027 NQNLQZDAHBLTML-UHFFFAOYSA-N 425.382 4.101 5 20 IIBD O=[N+]([O-])c1ccccc1NCc1nc(Cc2c(F)ccc(Br)c2F)no1 556329505 WHFKOUAGCUEYMO-UHFFFAOYSA-N 425.189 4.221 5 20 IIBD C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 556538614 HBRAEWXRLQCVCK-KPZWWZAWSA-N 446.301 4.126 5 20 IIBD O=C(NCc1ccc(C2CCCCC2)cc1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 557445648 AROIBHQLJMLENL-LJQANCHMSA-N 425.485 4.157 5 20 IIBD COc1cc(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)c([N+](=O)[O-])cc1OCc1cscn1 560982345 OFPZGXCKNQOXKS-RDJZCZTQSA-N 443.456 4.064 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 561620427 NRVLUXNESBWCGD-UHFFFAOYSA-N 443.891 4.461 5 20 IIBD COc1cc(Cl)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1OC 564409623 PKLYQSQBYZKRRD-UHFFFAOYSA-N 440.783 4.085 5 20 IIBD CCOc1cc(CNc2cc(C)c(F)cc2C(=O)NCC(F)(F)F)ccc1[N+](=O)[O-] 564559878 SVSPIPYEBVGJKJ-UHFFFAOYSA-N 429.370 4.345 5 20 IIBD O=c1c(Cl)c(N2CCC(c3cccc(F)c3F)CC2)cnn1-c1ccc([N+](=O)[O-])cc1 567042295 IRUGWYKPUGEEPY-UHFFFAOYSA-N 446.841 4.456 5 20 IIBD CC(C)NC(=O)c1ccc(N[C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)c([N+](=O)[O-])c1 569045903 GRYJFTSVKPOQDG-UZUQRXQVSA-N 441.528 4.470 5 20 IIBD O=[N+]([O-])c1cccc(Oc2ccc(-c3noc([C@@H]4CC45CCS(=O)(=O)CC5)n3)cc2)c1 569648511 LHUJPFCZVSJCLK-SFHVURJKSA-N 441.465 4.119 5 20 IIBD Cc1csc(Oc2ccc(NS(=O)(=O)c3c(F)cccc3[N+](=O)[O-])cc2F)n1 571409933 SNBNTUMJUMJXBG-UHFFFAOYSA-N 427.410 4.231 5 20 IIBD CC(=O)N(c1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1)[C@H]1C[C@H]1C 579607510 PLABOUNBXHEBPX-ZMZPIMSZSA-N 432.274 4.371 5 20 IIBD Cc1c(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cccc1OCC(F)(F)F 580011242 XDLULWKMIGMHAT-UHFFFAOYSA-N 425.363 4.271 5 20 IIBD CCN1CCc2nc(NC(=O)c3ccc(N4C[C@H](C)C[C@@H](C)C4)c([N+](=O)[O-])c3)sc2C1 600203121 HNJGQFLNOOVXLF-HUUCEWRRSA-N 443.573 4.164 5 20 IIBD COc1cc(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OC 603573204 WKRMCFZYOZMMEP-MYJAWHEDSA-N 444.328 4.251 5 20 IIBD COc1c(C)ccc(NC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c1C 603657033 RAIANMRNVLDYSF-GOSISDBHSA-N 429.473 4.425 5 20 IIBD Cc1cc(CN(C)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc(C)c1OCC(F)(F)F 603933389 RNMOLWKYIZFWAX-UHFFFAOYSA-N 446.447 4.193 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]1c1cccc(Br)c1 604043338 KBKSKKCEIIBODF-MRXNPFEDSA-N 425.304 4.192 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@H](C)C[C@@H]2CCOC2)c([N+](=O)[O-])c1 610734941 VWJZRWKQQDRYFT-SJORKVTESA-N 433.530 4.037 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCCCOCCc1ccccc1 614724649 SNTUFUKPINUHFH-UHFFFAOYSA-N 428.532 4.310 5 20 IIBD CC(=O)N1CCC(COC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CC1 727771555 SSUNSWYNFZQRAS-UHFFFAOYSA-N 445.903 4.276 5 20 IIBD COC(=O)CSCc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 728499811 XCNYZTFJEDANBO-UHFFFAOYSA-N 443.525 4.244 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])c(F)c1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 731518288 HZGMJUIBFZIKRG-ZDUSSCGKSA-N 444.415 4.350 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCCc1cccc(C(F)(F)F)c1 731552120 JIRUUCSUBJSAOZ-UHFFFAOYSA-N 438.358 4.088 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1ccc(-c2ccccc2)cn1 731779809 REXZNSGVMQYNCI-UHFFFAOYSA-N 434.271 4.220 5 20 IIBD CC(C)(C)OC(=O)NC[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCCCC1 732230382 HLHNDTQIDHRMQH-IBGZPJMESA-N 435.521 4.025 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccnc(-c3ccccc3)c2)cc1Br 732525450 KVAZIHAMZJDNNI-UHFFFAOYSA-N 434.271 4.220 5 20 IIBD O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)c1cc([N+](=O)[O-])ccc1Cl 732575295 BKPUHTVDFLRVKB-GFCCVEGCSA-N 438.709 4.267 5 20 IIBD O=C(NS(=O)(=O)c1cc([N+](=O)[O-])cs1)c1sc2cccc(Cl)c2c1Cl 732619213 OXKRPNYKXPWOLB-UHFFFAOYSA-N 437.307 4.297 5 20 IIBD CCOc1nnc(COC(=O)c2cc([N+](=O)[O-])ccc2Sc2nc(C)cs2)s1 733394767 KAWZXLNLFKNGEI-UHFFFAOYSA-N 438.512 4.118 5 20 IIBD Cc1ccc(Cl)cc1NC(=O)COC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 735149190 UVAMJVGANIOCCI-UHFFFAOYSA-N 427.240 4.161 5 20 IIBD C[C@@H](OC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)C(=O)N[C@H](C)c1cc2ccccc2o1 735353201 CRFDNCHYTBSSDW-CHWSQXEVSA-N 449.419 4.018 5 20 IIBD CC(C)(NC(=O)c1cccc(Cl)c1)c1noc(COc2ccc([N+](=O)[O-])c(F)c2)n1 737389135 ZWMUAOQGESVZSU-UHFFFAOYSA-N 434.811 4.014 5 20 IIBD CC[C@@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)c1ccc(OC)cc1 738568338 JJAGGTWUULCQNN-OAQYLSRUSA-N 426.469 4.025 5 20 IIBD C[C@@H](CS(C)(=O)=O)N(C)C(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34 742253704 HBALTZGDGPUWEK-INIZCTEOSA-N 435.545 4.438 5 20 IIBD C[C@@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1nc2ccccc2s1 745074981 YGQQCSYTBUPPAR-CQSZACIVSA-N 441.509 4.072 5 20 IIBD COc1ccc(Br)cc1C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 745116515 CDRUKLNHNDGGJX-SNVBAGLBSA-N 448.229 4.334 5 20 IIBD COc1ccc(-c2ccc(/C=C3/NC(=S)N(c4ccccc4C)C3=O)o2)c([N+](=O)[O-])c1 746015011 KGQVPWCQQQSYLL-GZTJUZNOSA-N 435.461 4.434 5 20 IIBD COc1ccc(CSCC(=O)NOCc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] 746924294 XXALFBYATGVSPY-UHFFFAOYSA-N 430.404 4.103 5 20 IIBD C[C@H](OC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C(=O)N(C)C 748579270 MDSRYNQOWNPLOL-QXPQOBGOSA-N 439.493 4.155 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1 748644442 YPOGWTLFBDHSGO-UHFFFAOYSA-N 434.861 4.248 5 20 IIBD Cc1nn(CCC(=O)O[C@H](c2ccccc2)c2nc(-c3ccccc3)no2)c(C)c1[N+](=O)[O-] 749053736 KLMKTCJLMYLTMU-OAQYLSRUSA-N 447.451 4.181 5 20 IIBD CN(C(=O)COC(=O)c1cc(C2CC2)nc2ccc(Cl)cc12)c1ccc([N+](=O)[O-])cc1 751725549 VRVIXRRJQFGCFQ-UHFFFAOYSA-N 439.855 4.494 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCC2([C@@H](O)c3ccccc3)CC2)cc1[N+](=O)[O-])c1ccccn1 752346904 MGGBMRUWRUQXSM-HXOBKFHXSA-N 446.507 4.407 5 20 IIBD O=C1N(CN(CCc2ccccn2)Cc2ccc(F)cc2)CCN1c1ccccc1[N+](=O)[O-] 752788976 KEYFXHCRSMPRRL-UHFFFAOYSA-N 449.486 4.073 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 754095305 SIGXAAUDNMJJIC-SUMWQHHRSA-N 448.394 4.360 5 20 IIBD C[C@H](C(=O)Nc1ccc(OCCNC(=O)OC(C)(C)C)cc1)c1ccc([N+](=O)[O-])cc1F 754479194 ZSIGBFDRFMJKQX-AWEZNQCLSA-N 447.463 4.380 5 20 IIBD CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 755025241 WVKKIMHVJMDSLV-UHFFFAOYSA-N 439.285 4.092 5 20 IIBD COc1cc(C(=O)N(OC)[C@H]2CCCOc3ccccc32)c([N+](=O)[O-])cc1OC(F)F 755367534 LLRJCRJKNSQJSQ-AWEZNQCLSA-N 438.383 4.122 5 20 IIBD O=C(c1ccc(SC(F)F)cc1)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 758796733 QWZCZDBPELSPTI-UHFFFAOYSA-N 447.467 4.138 5 20 IIBD CC1(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CCN(C(=O)OC(C)(C)C)CC1 762472888 BTCNSSQTNCPHLC-UHFFFAOYSA-N 437.512 4.165 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 763720060 NRQILZLZDPMGPX-CQSZACIVSA-N 442.859 4.235 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2nnc(S)n2C(C)C)CC1 764187457 KHUUTRRKRGRQCJ-UHFFFAOYSA-N 435.575 4.188 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CCCCC[C@H]2C[C@@H](O)c2ccccc2)cc([N+](=O)[O-])c1 764391924 LXUUNPYLBIPWBH-RBBKRZOGSA-N 440.496 4.280 5 20 IIBD O=C1OCCN1c1cccc2c1CCN(c1ccc([N+](=O)[O-])c(OCc3ccccc3)n1)C2 765043073 AIFJIROACWOYLU-UHFFFAOYSA-N 446.463 4.088 5 20 IIBD O=C(Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])c(Cl)c1 765471302 LGLURTREVPERQE-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD COc1cc(COC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c([N+](=O)[O-])cc1OC(F)F 766229360 DCLROEYHQPNHSJ-UHFFFAOYSA-N 449.322 4.018 5 20 IIBD CC(C)N(Cc1nc(O)c2ccccc2n1)Cc1c(Br)cccc1[N+](=O)[O-] 768420252 AWRYRSDGFDQQRY-UHFFFAOYSA-N 431.290 4.417 5 20 IIBD CC(=O)[C@H](Cc1c(F)cccc1F)OC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 768642344 DWDPGUBGTBTRAT-VOJFVSQTSA-N 427.787 4.037 5 20 IIBD CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 770007965 BMXWEDDDRAWLAL-UHFFFAOYSA-N 433.896 4.043 5 20 IIBD CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1 770320320 VHRWMCSRWSKLKN-SNVBAGLBSA-N 438.303 4.435 5 20 IIBD CC(C)[C@H]1C[C@H](NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 772905524 OGICDPXEWPPLGH-JLTOFOAXSA-N 445.903 4.434 5 20 IIBD C[C@H](Nc1ccc(C(=O)O[C@H](C)c2ncc(Cl)n2C)cc1[N+](=O)[O-])c1ccccn1 773889903 VCFRAPWMVJBXQC-QWHCGFSZSA-N 429.864 4.468 5 20 IIBD CC(C)Oc1ccc(S(=O)(=O)NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cc1 775278825 MTULVACCOXKENV-UHFFFAOYSA-N 438.527 4.001 5 20 IIBD CC(C)[C@H](OC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl 781734935 IRMOPQCABPEICD-IBGZPJMESA-N 449.847 4.296 5 20 IIBD COc1ccc(-c2noc([C@@H](C)OC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)cc1 782059752 XPCQIAVVJVXJKS-CHWSQXEVSA-N 429.454 4.438 5 20 IIBD CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)OCc1ccc([N+](=O)[O-])c(F)c1 782489415 AXTBYQXVIRGZER-LZGZYFLISA-N 432.492 4.134 5 20 IIBD COc1cc(NC(=O)NC(C)C)c(C(=O)O[C@H](C)c2ccccc2[N+](=O)[O-])cc1OC 783335094 UZVKGQHIWXRJEL-CYBMUJFWSA-N 431.445 4.060 5 20 IIBD COc1ccc(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c(OCc2ccccc2)c1 784172890 VLWWLRFRFMBFHE-HSZRJFAPSA-N 447.447 4.314 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1SC 785387878 TZVPVOASPSOCNH-UHFFFAOYSA-N 445.375 4.182 5 20 IIBD Cc1ccc(NC(=O)N2CCC(CNC(=O)OCc3ccccc3)CC2)cc1[N+](=O)[O-] 785600178 COAWAZSWFWJIIP-UHFFFAOYSA-N 426.473 4.074 5 20 IIBD Cc1ccc([C@@H](N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c2cccc(S(C)(=O)=O)c2)cc1 788608512 GQCNRAJIKUHJNU-WAIKUNEKSA-N 439.537 4.329 5 20 IIBD CC(=O)c1cc(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)ccc1C 789899995 GEMOOTJWYKRLEU-HXUWFJFHSA-N 438.480 4.348 5 20 IIBD O=C(COc1cc(F)c(Br)cc1[N+](=O)[O-])Nc1ccc(N2CCCC2)cc1 790295549 KGBCAEIEZSVQRJ-UHFFFAOYSA-N 438.253 4.114 5 20 IIBD Cc1nc(-c2c[nH]c(C(=O)N3CCc4c(Br)ccc([N+](=O)[O-])c4C3)c2)cs1 791169966 YGMDISYJNAXZIK-UHFFFAOYSA-N 447.314 4.316 5 20 IIBD O=C1c2ccccc2C(=O)N1CCC1=CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 795243010 XMDHVCKLFAGVBR-UHFFFAOYSA-N 434.477 4.027 5 20 IIBD CC(C)(C(=O)OCC(=O)Cc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1F 795591876 PJRMUGIZEOYNQM-UHFFFAOYSA-N 438.249 4.129 5 20 IIBD Cc1cc(OCC(=O)O[C@H](C)C(=O)N(c2nccs2)C2CCCCC2)ccc1[N+](=O)[O-] 797496819 GBEUUCMTNIVWFT-OAHLLOKOSA-N 447.513 4.036 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCn2c(Br)cnc2C1 801240376 SWTLZTHESFWSAK-UHFFFAOYSA-N 439.335 4.102 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 801920906 UMSCHYZTKNENDC-NSHDSACASA-N 428.247 4.307 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)O[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c1F 803461887 BKXDJFPLLGFTNC-HNNXBMFYSA-N 426.322 4.023 5 20 IIBD O=C(N[C@H]1CSc2ccccc21)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 806829203 PANZIWBQHKIRCS-HNNXBMFYSA-N 434.315 4.272 5 20 IIBD CN(C(=O)Nc1cccc([N+](=O)[O-])c1Cl)[C@@H](CO)c1cccc(Br)c1 809918982 CXKWWPJYOTWAQK-AWEZNQCLSA-N 428.670 4.208 5 20 IIBD CCN(CC)C(=O)N1CCC(C(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 811083493 ACCCESQLAYPYTI-UHFFFAOYSA-N 432.304 4.119 5 20 IIBD CCOc1ccc([C@H]2CCCN2c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCOC)cc1 812091703 VCIJGZHMRWXBBR-OAQYLSRUSA-N 437.500 4.240 5 20 IIBD CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O 813818112 KXMSRYYOVHHIIQ-MRXNPFEDSA-N 444.875 4.371 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccc(Cl)nn1 815436544 FWNFCPPGDPZQGF-QGZVFWFLSA-N 447.234 4.228 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2Cc3cnn(-c4ccccc4)c3C2)CC1 819374698 UDZQQQLLCOVLNL-UHFFFAOYSA-N 431.496 4.173 5 20 IIBD CCCCCn1c(=O)c2ccccc2n2c(S/C=C/c3ccc([N+](=O)[O-])o3)nnc12 825164098 DSWVZSMGUHSHNS-ACCUITESSA-N 425.470 4.499 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc(-c2ccc(Cl)cc2)[nH]n1 829015881 VRDRQPCBPPPGEA-UHFFFAOYSA-N 425.788 4.045 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C(=O)c1ccc(OC(F)F)cc1 846276960 BTHLCQWUCJZUSC-CYBMUJFWSA-N 434.395 4.225 5 20 IIBD CNC(=O)c1cccc(NCc2c(Br)cccc2[N+](=O)[O-])c1Br 864012709 YMHHJKXOVTWNDO-UHFFFAOYSA-N 443.095 4.092 5 20 IIBD O=C(COC(=O)c1cnn(-c2ccccc2)c1C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] 913336490 DTARZQJLMIFBTQ-UHFFFAOYSA-N 440.843 4.107 5 20 IIBD O=C(CCOc1ccc(Cl)c(Cl)c1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 914812850 RNECBULONOHVLW-UHFFFAOYSA-N 428.224 4.280 5 20 IIBD Cc1ccc(CNC(=O)c2cccc(CNC(=O)c3cc(Cl)ccc3[N+](=O)[O-])c2)cc1 916067911 DREXAWCCHOOZHW-UHFFFAOYSA-N 437.883 4.417 5 20 IIBD CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cs1 917600758 GSQBPOBIGGAWSU-ODLFYWEKSA-N 448.460 4.389 5 20 IIBD O=C(c1ccccc1OC(F)F)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 919963211 NHHXNLCFWDEFCJ-UHFFFAOYSA-N 445.344 4.177 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)cc1[N+](=O)[O-] 920008123 ACUPPOQZUHWUKT-AWEZNQCLSA-N 435.820 4.275 5 20 IIBD C[C@H](OC(=O)Cn1ccc2ccc(Cl)cc21)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 920559634 RVHAJIPQNKIIOB-NSHDSACASA-N 436.251 4.427 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N1CC[C@H]2OCCC[C@@H]2C1 1116344243 QKAFSRXZDSBGJX-HBGVWJBISA-N 429.904 4.429 5 20 IIBD Cc1ccc(NCCCNC(=O)N2CCO[C@H](c3ccc(Cl)s3)C2)c([N+](=O)[O-])c1 1318833787 OFNGSZFZCATBGB-INIZCTEOSA-N 438.937 4.203 5 20 IIBD O=[N+]([O-])c1ccccc1OCc1nnc(-c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)o1 1323961871 DTWYMVSXGACXOE-UHFFFAOYSA-N 439.378 4.176 5 20 IIBD Cc1ccsc1C(=O)N1CCCC2(CCN(C(=O)c3cccc(F)c3[N+](=O)[O-])CC2)C1 1808082612 YBEFUERJWQCVHC-UHFFFAOYSA-N 445.516 4.262 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[nH]n1)C(F)F 1816841617 HUTSWKUKQISJOL-ZDUSSCGKSA-N 449.439 4.104 5 20 IIBD Cc1ccc(C(=O)N2CCCC23CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)C3)s1 1842377858 CUXGGFISQLLUFD-UHFFFAOYSA-N 433.917 4.057 5 20 IIBD C[C@H](OC(=O)COc1cccc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9445483 NSCCBBKYILJSSN-JTQLQIEISA-N 446.765 4.216 5 20 IIBD Cc1ccc(C2=NN(C(=O)COC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](c3ccco3)C2)cc1 10647174 MDRWMJRJPAHWSV-HXUWFJFHSA-N 433.420 4.031 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(Cc2ccc(Cl)cc2)CC1 15484954 OTLSCJMNUCUVDT-OAHLLOKOSA-N 427.892 4.177 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3ccccc3F)o2)c([N+](=O)[O-])c1 18600973 QSFRBNOSPLNDIW-LBPRGKRZSA-N 428.372 4.187 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CCOc2ccc(Br)cc2)c1 23562923 WXFPNRBSJLIEBD-UHFFFAOYSA-N 425.304 4.230 5 20 IIBD Cc1nnc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1Cc1ccccc1 28609143 AHTMQZLXSCERSP-LBPRGKRZSA-N 431.905 4.316 5 20 IIBD Cc1nc(-c2ccc([C@H](C)NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)cc2)cs1 29103864 VDQADRMUFKAEKY-ZDUSSCGKSA-N 434.481 4.098 5 20 IIBD CCOc1ccc([C@H](C)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1OCC 72100662 UCEKUAQZALZLCM-INIZCTEOSA-N 427.501 4.483 5 20 IIBD C[C@H](c1nc(-c2ccccc2)no1)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 111193185 GRGYLRDUMDRCFO-CQSZACIVSA-N 436.497 4.138 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(Sc2nnc(-c3cccc4ccccc34)o2)s1 302131963 CBSWGAJDYTVWQX-UHFFFAOYSA-N 433.492 4.414 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1cccc(C[S@@](=O)c2ccccc2)c1 302616183 FYXLRIZOXBFNEO-MUUNZHRXSA-N 430.507 4.050 5 20 IIBD Cn1c(CCNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)nc2c(F)cccc21 303449112 JEINGHCUPOTTAH-UHFFFAOYSA-N 434.427 4.385 5 20 IIBD O=[N+]([O-])c1cccc(CNS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)c1 320523179 ORJHETQWNLJLOQ-UHFFFAOYSA-N 440.102 4.143 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 410422120 LIXHYYOBHVYOMM-HSZRJFAPSA-N 445.475 4.073 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(c3noc4cc(F)ccc34)CC2)cc1OC 426773650 KMAASUOLKHDRQN-UHFFFAOYSA-N 443.431 4.302 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CC[C@H](OCc4ccncc4)C3)c([N+](=O)[O-])c2)cc1 428261858 VOMWIVJEGXNDFY-NRFANRHFSA-N 432.480 4.346 5 20 IIBD COc1cc(C(=O)N(CC(C)(C)O)C2CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 428340197 HOCYVKVLLRAKPY-UHFFFAOYSA-N 434.876 4.425 5 20 IIBD O=C(NCC(F)(F)F)[C@@H]1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 428487707 WPZHMAWBLASKJM-CQSZACIVSA-N 441.381 4.027 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCC[C@H]([C@H](O)C(F)(F)F)C3)c([N+](=O)[O-])c2)cc1 433793134 QPBDDXNMVLNRFP-KXBFYZLASA-N 437.418 4.295 5 20 IIBD CC(C)c1[nH]nc(C(=O)Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)c1[N+](=O)[O-] 434177270 MKYFAAOROGXWGS-UHFFFAOYSA-N 447.495 4.216 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCO[C@@]2(CCc3ccccc32)C1 444237810 JIVFOJHMZJFYEU-SANMLTNESA-N 446.453 4.274 5 20 IIBD O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1cc(Cl)cc(Br)c1F 444821056 ALJMNKADNDVPNU-UHFFFAOYSA-N 440.616 4.187 5 20 IIBD Cc1oc(C(N)=O)cc1-c1csc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)n1 445014602 XBTIIUUREJCOLT-UHFFFAOYSA-N 444.472 4.057 5 20 IIBD O=C(NC1CCCC1)c1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 445181188 BGZZXKLYOPVBIJ-UHFFFAOYSA-N 438.303 4.344 5 20 IIBD C[C@H]1CCCCN1C[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 445993024 MGZHXKYGNPDFOR-HOTGVXAUSA-N 438.366 4.013 5 20 IIBD CC(=O)N(Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1)C(C)C 446176363 WHHCBQALDLAULK-UHFFFAOYSA-N 448.317 4.295 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N(Cc2ccc(OC)cc2)c2ccncc2)cc1OC 460375693 QELOWDQJGKFMTJ-UHFFFAOYSA-N 437.452 4.253 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ncc(I)cc1C 462629857 GLAUKWKCTPGHGC-ZDUSSCGKSA-N 439.253 4.110 5 20 IIBD COc1cc(C)c(Br)cc1NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 463047585 FULLWTQWFOLOBI-UHFFFAOYSA-N 446.257 4.240 5 20 IIBD CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 463957056 AWNVNDIFLVQMPZ-OAHLLOKOSA-N 444.454 4.256 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@@H](c1ccc(Cl)cc1)C(F)(F)F 464427896 MEEVMYHWLJBPCJ-HNNXBMFYSA-N 438.811 4.181 5 20 IIBD C[C@H]1CCN(C(=O)CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c2ccccc2S1 464780855 XOQBAIPWFHNTEO-KRWDZBQOSA-N 441.553 4.356 5 20 IIBD CCOc1cccc(CNC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])c1OC(F)F 464999010 AKYRWDVRPHYMGS-UHFFFAOYSA-N 442.440 4.255 5 20 IIBD COc1cc([C@H](C)NC(=O)c2ccc(F)cc2[N+](=O)[O-])ccc1OCc1ccncc1 466312137 OEFQNJPMJCBTOP-AWEZNQCLSA-N 425.416 4.208 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3C[C@H](C)O[C@@]4(CCO[C@H]4C)C3)cc2[N+](=O)[O-])cc1 468516910 QOBLXKQJZPZGOT-QQMNAOGKSA-N 442.537 4.463 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N(Cc1cccs1)c1ccc(C)cc1 469365175 VFMACEXDFNJZTD-UHFFFAOYSA-N 446.506 4.147 5 20 IIBD COc1cccc([C@H](NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c2cc(F)ccc2OC)c1 471466562 GUFOQIHCELXOAO-QFIPXVFZSA-N 440.427 4.279 5 20 IIBD CN(Cc1cc2ccccc2o1)C(=O)c1ccc([N+](=O)[O-])cc1I 471540960 VQXLXSMDDVNQDB-UHFFFAOYSA-N 436.205 4.218 5 20 IIBD CCOc1cc(N2CCN(C(=O)CCc3c[nH]c4cc(C)ccc34)CC2)ccc1[N+](=O)[O-] 477370467 CBHZBKDEDZKAQO-UHFFFAOYSA-N 436.512 4.065 5 20 IIBD CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 482762436 OFJFAKSUHMCSGU-ASSNKEHSSA-N 429.860 4.068 5 20 IIBD O=C(Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1)c1ccncc1 483783744 KIFHCANCRLCRFU-UHFFFAOYSA-N 428.351 4.096 5 20 IIBD CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 484719122 LRJTVKQPNRFZAN-UHFFFAOYSA-N 448.209 4.100 5 20 IIBD Cc1ccc(I)cc1NC(=O)NCc1cccc([N+](=O)[O-])c1C 484798277 QIAAVGLNBVIMMB-UHFFFAOYSA-N 425.226 4.138 5 20 IIBD O=C(NCCc1nc2cc(Cl)ccc2s1)c1cc([N+](=O)[O-])ccc1OC(F)F 484876899 DREQCYOFUISNAP-UHFFFAOYSA-N 427.816 4.432 5 20 IIBD COC(=O)c1cc(C(C)(C)C)sc1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 485291564 UWZIGHFJBOUCEF-UHFFFAOYSA-N 446.529 4.095 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 486104319 UHBBZELKJGRNQM-QGZVFWFLSA-N 440.481 4.438 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CCCC2)c1 488059566 GJBLOULJRWXHCN-SFHVURJKSA-N 444.553 4.484 5 20 IIBD CCN([C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 488671661 UYSTZNDGWSAXGF-NSHDSACASA-N 431.283 4.268 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 489925806 AYBXKTVTXDTETH-UHFFFAOYSA-N 444.904 4.466 5 20 IIBD C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@H]1CCN(Cc2ccccc2)C1 490759402 RMZPNYSVPOSFFI-UNMCSNQZSA-N 439.559 4.182 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)Cc1cc(Br)ccc1Cl 494273559 IXQJFGSZUYNABI-UHFFFAOYSA-N 426.698 4.390 5 20 IIBD O=C(Nc1cccc(NS(=O)(=O)Cc2ccccc2)c1)Nc1ccc([N+](=O)[O-])cc1F 494455907 WJYRPZJHVBMYJC-UHFFFAOYSA-N 444.444 4.320 5 20 IIBD CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2c([N+](=O)[O-])cnc3ccc(Br)cc23)C1 496203096 JUMAQHCJPVTWAJ-ZIAGYGMSSA-N 449.349 4.427 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 498838033 UQSPTHUDWSPWRR-GFCCVEGCSA-N 439.438 4.406 5 20 IIBD O=[N+]([O-])c1nn(Cc2coc(-c3ccc(Br)cc3)n2)cc1Br 502838594 CFHIFACTJZZJFK-UHFFFAOYSA-N 428.040 4.020 5 20 IIBD Cc1ccc(NC(=O)C(=O)N[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)cc1[N+](=O)[O-] 507419213 DLPKMBJSQTWTJZ-QGZVFWFLSA-N 437.374 4.008 5 20 IIBD COCCn1cc2c(n1)[C@@H](Nc1ccc(C(=O)Nc3ccc(C)cc3)cc1[N+](=O)[O-])CCC2 507898510 MBFGFXWAIJLREQ-NRFANRHFSA-N 449.511 4.488 5 20 IIBD Cc1cc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)c(C)o1 509930071 XRTYRNJCRPXEOE-SNVBAGLBSA-N 428.226 4.209 5 20 IIBD Cc1occc1C(=O)Nc1cc(N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1F 510994056 DSUVEJKJLPZVFK-LBPRGKRZSA-N 426.404 4.327 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1nc(C2CCC2)cs1 511338549 GLZWQUROFXMOJQ-UHFFFAOYSA-N 443.266 4.484 5 20 IIBD O=C(c1cnn(-c2ccc(Br)cc2)c1)N1CCCc2c1cccc2[N+](=O)[O-] 513839163 FROHAELUUUGWHL-UHFFFAOYSA-N 427.258 4.136 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(-c4nncn4C)cc3)cc2[N+](=O)[O-])C1 514559375 ZJZDWVHZEVPLPU-HZPDHXFCSA-N 434.500 4.125 5 20 IIBD Cn1c(C(=O)N[C@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)ccc1[N+](=O)[O-] 514935660 ZPJISBLFHKLQLF-GOSISDBHSA-N 443.385 4.348 5 20 IIBD NC(=O)c1ccccc1CCc1nc(-c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)no1 515492590 QCGGISCAENWJNH-UHFFFAOYSA-N 430.420 4.321 5 20 IIBD C[C@@H](Nc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl)c1cccc([N+](=O)[O-])c1 515502526 DLCORICAGYWFBZ-SNVBAGLBSA-N 439.781 4.381 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1Cc1ccccc1 516047118 QVRJGFGXEAYMKO-MRXNPFEDSA-N 433.464 4.010 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC2(CCCCC2)C1 518953625 OWUHHWLTNMKNKV-LJQANCHMSA-N 433.574 4.019 5 20 IIBD COC(=O)c1ccc(OC(C)C)c(N[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 520158944 YMKUSDAUPUHRJF-CYBMUJFWSA-N 426.429 4.392 5 20 IIBD O=C(c1ccccc1)c1ccc(N2CCC(C(=O)NC3CCCCC3)CC2)c([N+](=O)[O-])c1 520980186 KHMXMLJJQSWWNV-UHFFFAOYSA-N 435.524 4.491 5 20 IIBD Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 522817677 OSCVSILOXDTFOH-CYBMUJFWSA-N 434.456 4.133 5 20 IIBD CCOC(=O)c1ccnc(Nc2cccc(C[S@@](=O)C3CCCCC3)c2)c1[N+](=O)[O-] 523114420 GCOOTCBOPJWABY-SSEXGKCCSA-N 431.514 4.492 5 20 IIBD Cc1cc(NC(=O)CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1Br 523321728 CWZDEAYYVNBLNO-UHFFFAOYSA-N 441.669 4.079 5 20 IIBD Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 523955780 KQZAUCJFLNKBGR-UHFFFAOYSA-N 433.892 4.350 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1 524269137 KWAWFRRQVMIEAN-OAQYLSRUSA-N 425.872 4.389 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCO[C@H](c2ccc(F)c(F)c2)C1 524304738 KCPOURUASSHTQP-INIZCTEOSA-N 429.326 4.080 5 20 IIBD CCO[C@@H]1C[C@@H](NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C12CCC2 525521596 KIVGGODJHZXVFH-HZPDHXFCSA-N 439.299 4.165 5 20 IIBD O=C(NCc1cc(Cl)cc(Cl)c1OC(F)F)c1cc2c(cc1[N+](=O)[O-])OCO2 532057797 QZNFVONZXJEOSU-UHFFFAOYSA-N 435.166 4.162 5 20 IIBD Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)N(C)c3cccc([N+](=O)[O-])c3)c12 533606997 NDESWNYETFGXIZ-UHFFFAOYSA-N 428.452 4.186 5 20 IIBD CCOC(=O)c1sc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)nc1C(C)C 533871381 GEHSONAFUQRWCH-UHFFFAOYSA-N 432.502 4.204 5 20 IIBD O=C(c1ccccc1)c1ccc(NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)c([N+](=O)[O-])c1 534630854 PPZYPMZSWOAMSK-IBGZPJMESA-N 429.476 4.286 5 20 IIBD COc1ccc(OC)c(-c2csc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)n2)c1 534679103 HHYBAKOMTFGIIR-UHFFFAOYSA-N 438.465 4.398 5 20 IIBD C[C@H](c1nc(-c2cccs2)no1)S(=O)(=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 535508380 UDCNPODYLRYIPL-LLVKDONJSA-N 446.466 4.037 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 535552961 KNZOIDUFOYPYRN-FQEVSTJZSA-N 436.468 4.170 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccnn1[C@H]1CCCc2ccccc21 535670657 WCPKHEUSVNDSIM-IBGZPJMESA-N 443.463 4.283 5 20 IIBD COc1ccc(OCCN[C@H](C)c2ccc(OC)c(Br)c2)c([N+](=O)[O-])c1 537067500 PMMTVAPOIVSZBF-GFCCVEGCSA-N 425.279 4.104 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CN1CCN(c2ccccc2)CC1 538252976 CAFQQGXPMNRCEQ-GOSISDBHSA-N 442.585 4.036 5 20 IIBD COc1cc(C(=O)Nc2cc(C)nc(O)n2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 539373944 IPBILEOXJPUOAI-UHFFFAOYSA-N 430.804 4.105 5 20 IIBD CC(C)(C)NC(=O)N1CCC(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 539930958 HKGYMCGGOGSPSI-UHFFFAOYSA-N 439.516 4.041 5 20 IIBD Cc1cc(C(=O)NCC(=O)N2CCCC[C@H]2c2ccccc2C(F)(F)F)ccc1[N+](=O)[O-] 541128821 GBRDTOQCRBQFOU-IBGZPJMESA-N 449.429 4.406 5 20 IIBD CNc1ccc(C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)cc1[N+](=O)[O-] 541457513 DWXXPLDMHLNKQR-UHFFFAOYSA-N 437.327 4.338 5 20 IIBD C[C@H](C(=O)N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1)c1ccc([N+](=O)[O-])cc1F 543489084 NFSKOBNLGALHFK-MHECFPHRSA-N 425.504 4.352 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(OCC(F)(F)F)nc1 543723018 TYFILPFJFLFSFL-UHFFFAOYSA-N 429.420 4.363 5 20 IIBD Cc1cc(Cn2cc([N+](=O)[O-])c(C)c(Br)c2=O)nc(-c2ccc(Cl)cc2)n1 544080140 KWDQALJKDPVCKS-UHFFFAOYSA-N 449.692 4.295 5 20 IIBD O=C(Nc1ccc(-c2cccc(F)c2)c(F)c1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 544304538 DMUARBIISCIETA-UHFFFAOYSA-N 439.422 4.289 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N2CCOCC3(CCC3)C2)cc1[N+](=O)[O-] 545451924 IUKDAEUBDVSFCH-UHFFFAOYSA-N 440.521 4.190 5 20 IIBD O=C(c1ccc(Cl)cc1)N1CCC[C@@H](c2nc(Cc3ccccc3[N+](=O)[O-])no2)C1 545534650 XXVOHDLBBGCXGN-MRXNPFEDSA-N 426.860 4.242 5 20 IIBD Cc1ccc(-n2cnnc2SCc2nc(Cc3cccc([N+](=O)[O-])c3C)no2)cc1C 545787525 YUKYXLCTSIYKPU-UHFFFAOYSA-N 436.497 4.367 5 20 IIBD COc1cc(CNC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)ccc1OC(F)F 550648596 ACDYLNOSPJSYNC-UHFFFAOYSA-N 445.216 4.206 5 20 IIBD CS(=O)(=O)c1cc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc(C(F)(F)F)c1 551517012 ARYNAOSIAUPVQE-GOSISDBHSA-N 428.432 4.184 5 20 IIBD CCSc1ccc([C@H](C)NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 553464704 ISRPDDFCGAKSDW-HNNXBMFYSA-N 427.526 4.075 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCc1cccc(NC(=O)c2ccccc2)c1 553768924 DOTCBKPPSDGTGG-UHFFFAOYSA-N 432.480 4.231 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 553775723 XZVGQTFMSRGDHA-RBUKOAKNSA-N 444.556 4.182 5 20 IIBD Cc1cc(CN(CC(C)C)C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)nc(N2CCCCC2)n1 555316361 FBOKUEOEEQMNLJ-IBGZPJMESA-N 439.560 4.472 5 20 IIBD CC1(C)CN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)[C@@H]2CCC[C@H]21 561642411 WVLMTXGBLDFXHY-WOJBJXKFSA-N 443.525 4.046 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC(c2noc3cc(F)ccc23)CC1 566594074 VKTFQYJNRSWWLL-UHFFFAOYSA-N 435.358 4.496 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1cccnc1)Cc1ccccc1C 570610375 VEUVOJLHUSXHCO-UHFFFAOYSA-N 432.480 4.028 5 20 IIBD O=C(Nc1ccc(F)cc1OCCC(F)(F)F)N1CCOc2ccc([N+](=O)[O-])cc2C1 575371299 DQVBAUZPDLCPEA-UHFFFAOYSA-N 443.353 4.492 5 20 IIBD O=C(NC1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1)c1ccc(F)cc1 577654773 KUDYMZMYWLHYLF-UHFFFAOYSA-N 425.382 4.147 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1cccc(N2CCCC2=O)c1 589251638 VORPHCOHQNVSEY-UHFFFAOYSA-N 429.432 4.205 5 20 IIBD CNc1ccc(C(=O)Nc2c(-c3ccc(Br)cc3)ncn2C)cc1[N+](=O)[O-] 590507169 QEEIPPAXJNNNIL-UHFFFAOYSA-N 430.262 4.052 5 20 IIBD COc1cc(OC)c(C2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)c(OC)c1 600243412 RZNQAYLQYDGBRK-UHFFFAOYSA-N 434.876 4.294 5 20 IIBD CCOc1ccc2nc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)sc2c1 603465316 GCLDWYXWNHXCIY-UHFFFAOYSA-N 426.498 4.458 5 20 IIBD O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 603572789 GPKYCSRSZYUXBP-MYJAWHEDSA-N 442.312 4.005 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1C 604277102 ISOKISUDQDEHNZ-GDNZZTSVSA-N 448.385 4.399 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCc2[nH]c3c(Br)cccc3c2C1 604360558 SPTNAHYOMXWFLC-UHFFFAOYSA-N 445.273 4.437 5 20 IIBD CN(C[C@H]1CCCO[C@@H]1c1ccccc1)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] 604520383 KVGREUBRHMYQMA-AUSIDOKSSA-N 434.496 4.163 5 20 IIBD O=C(Nc1cnn(Cc2ccccn2)c1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 604548952 NGUMOWRLHXZALD-UHFFFAOYSA-N 428.452 4.099 5 20 IIBD COc1ccc(C(C)(C)C)cc1NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 608802564 DILQEMIKEHSRAY-HXUWFJFHSA-N 439.512 4.453 5 20 IIBD CCC[C@@H](Cc1ccccc1)N(CCC)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 608952671 AYDJJLJRBAOGOM-IBGZPJMESA-N 432.542 4.262 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1cccc2c1CN([C@H](C)C(C)C)C2 609041681 OBXNPYMNXHGHIV-JKSUJKDBSA-N 426.517 4.403 5 20 IIBD Cc1cccc(NS(=O)(=O)c2cc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)ccc2C)c1 609447125 UXLSRONBAVAVOH-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD Cc1cc(=NCCc2nc(-c3ccc(Cl)cc3)no2)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 609464148 ZCWWSWUPRYORIK-UHFFFAOYSA-N 436.859 4.140 5 20 IIBD O=C(Nc1ccc(N2CCOCC2)nc1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609771352 YYCNQPUDVLKBSU-UHFFFAOYSA-N 435.440 4.263 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 609784085 KFTSDPLJPAWKNN-UHFFFAOYSA-N 448.859 4.401 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)Cc1csc(-c2ccoc2)n1)c1ccccc1[N+](=O)[O-] 609973856 UDOZVOIINKXZGB-QGZVFWFLSA-N 443.481 4.053 5 20 IIBD COc1ccc(C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1OC 610044309 FWWKTJONMJQKKK-UHFFFAOYSA-N 437.290 4.082 5 20 IIBD COc1cc(CNc2ccc3oc(N(C)C)nc3c2)c([N+](=O)[O-])cc1OCC(F)(F)F 610911557 PYSGTHDDDNPIJJ-UHFFFAOYSA-N 440.378 4.364 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c(Br)cc1F 611228879 JTDPAJAABXKONB-UHFFFAOYSA-N 448.204 4.084 5 20 IIBD CCN(Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1)C(C)C 726054674 RKNNJQMLLADACM-QGZVFWFLSA-N 427.501 4.318 5 20 IIBD Cn1c(Cl)cnc1CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 726541372 YZRFITASIKSQJF-UHFFFAOYSA-N 434.283 4.177 5 20 IIBD Cc1ccc(-c2ccc(C(=O)NS(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)c(F)c2)cc1C 730687931 BKFAQAZURWGPEX-UHFFFAOYSA-N 442.468 4.278 5 20 IIBD CC(C)(CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 731622217 NEZQRZGKURCVJD-UHFFFAOYSA-N 425.268 4.187 5 20 IIBD COc1ccc(OC(=O)c2cccn2C2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1 733680089 VILZTBGHBHCLPN-UHFFFAOYSA-N 445.472 4.196 5 20 IIBD COc1ccc([C@@H]2[C@H](COC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC(=O)N2C)cc1 735781877 LHUOPTCUANZORY-YCRPNKLZSA-N 440.477 4.195 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)OCc2cc(Cl)ccn2)cc1[N+](=O)[O-] 735887007 MYLCOZSPLZLQQP-UHFFFAOYSA-N 439.855 4.297 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc([N+](=O)[O-])cc1Br 739514144 OGQMHGZMCNXZSL-UHFFFAOYSA-N 432.133 4.119 5 20 IIBD Cc1ccc(NCCCNC(=O)c2ccccc2NC(=O)c2cccs2)c([N+](=O)[O-])c1 739812439 FFOICGINAQQWLH-UHFFFAOYSA-N 438.509 4.449 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NC[C@H](O)c3ccc(C)o3)c([N+](=O)[O-])c2)c(C)c1 741242655 JLSKCKXUMSJAQO-FQEVSTJZSA-N 445.497 4.059 5 20 IIBD C[C@H]1[C@@H](c2ccccc2)C[C@@H](C)N1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 742308540 JLWCBIYCWATCBW-WWGRRREGSA-N 439.331 4.313 5 20 IIBD C[C@H](C(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 742713731 CTDPFTUCINRYGZ-OXJNMPFZSA-N 427.501 4.156 5 20 IIBD CC1(C)[C@@H](OC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)[C@H]2CCCO[C@H]21 744191067 XXPQKQUYHYCVRC-JECHBYEQSA-N 440.283 4.448 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ccccc2Cn2cccn2)cc1)c1cccc([N+](=O)[O-])c1 746106225 HWZHYZYNZYXBLO-UHFFFAOYSA-N 442.431 4.311 5 20 IIBD O=C(Nc1cc2c(cc1NCc1cc(F)ccc1[N+](=O)[O-])OCCO2)c1cccs1 747479959 PWBOBZUMFWZPDA-UHFFFAOYSA-N 429.429 4.431 5 20 IIBD CC(C)(C)OC(=O)Nc1ccccc1C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 748336490 WAQJEYBPFLKWCZ-UHFFFAOYSA-N 440.412 4.349 5 20 IIBD CCN(CC1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1)C(=O)OC(C)(C)C 749146905 SLAKRDQVUVOBMV-UHFFFAOYSA-N 443.342 4.226 5 20 IIBD CN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C1CCC(NC(=O)OC(C)(C)C)CC1 749576523 SQHHKWUOQVBDSD-UHFFFAOYSA-N 448.564 4.395 5 20 IIBD Cc1nc2sccn2c1CN(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 750899535 KEYIOQKTZRRRJM-UHFFFAOYSA-N 443.710 4.301 5 20 IIBD COc1ccc(CNC(=O)N[C@@H]2CCOc3c2ccc(Cl)c3Cl)cc1[N+](=O)[O-] 753065521 IVIAWYBUWASKNK-CYBMUJFWSA-N 426.256 4.233 5 20 IIBD CC(C)(C)OC(=O)N1CCc2c(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cccc21 753782063 MBAJLAXELHCOHB-UHFFFAOYSA-N 428.401 4.053 5 20 IIBD COc1cccc(C[C@H]2CCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c1 754986588 FBBDLJCAYHVXGU-CQSZACIVSA-N 437.265 4.352 5 20 IIBD Cc1nc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)sc1-c1nnc(S)n1C1CC1 755076638 OSLAGPQURDBLMT-QMMMGPOBSA-N 448.505 4.123 5 20 IIBD C[C@H](OC(=O)c1cccc(Br)c1F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 759142107 SLYZEBCIXPOMSG-QMMMGPOBSA-N 445.628 4.334 5 20 IIBD CC[C@H](C)n1ncc(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1C1CC1 760623734 ARIZHIAFHZQUHO-NWDGAFQWSA-N 434.880 4.477 5 20 IIBD CC(C)n1nccc1C(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 764628228 YWBAMYAKTCTFRT-UHFFFAOYSA-N 428.832 4.497 5 20 IIBD CN(C(=O)C(C)(C)C)c1ccc(OS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 765208284 LTZJCQKHXSEGCN-UHFFFAOYSA-N 426.878 4.025 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 765544823 HGSVUZFETXIWCM-FPOVZHCZSA-N 436.512 4.042 5 20 IIBD C[C@@H](C(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1ccc(Br)cc1 766628117 BGXGLJNFQYCJGW-CQSZACIVSA-N 448.317 4.316 5 20 IIBD C[C@@H](OC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 767689300 LXJRXPVQWKMHAH-VXGBXAGGSA-N 425.268 4.253 5 20 IIBD COc1cc(C(=O)OCC(=O)[C@H]2CCCOC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 769062802 HUYVQPGUBXPKQK-AWEZNQCLSA-N 449.843 4.202 5 20 IIBD Cc1cc(C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)ccc1NC(=O)OC(C)(C)C 769620532 AOMRLGYBARMALK-UHFFFAOYSA-N 425.445 4.057 5 20 IIBD CC(C)c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cn1 772405982 JHGHRFOZOKMPFM-LLVKDONJSA-N 425.363 4.316 5 20 IIBD COc1ccc(SC)c(OC)c1C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1 773463298 VLMIZDUTHFMPLQ-UHFFFAOYSA-N 442.287 4.453 5 20 IIBD COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 776274484 IDHTZZIDBSHREI-DHLKQENFSA-N 434.492 4.293 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(OCC(=O)O)c(Cl)c2)CC1 776672183 PNATVMQTIMFTEE-UHFFFAOYSA-N 447.875 4.200 5 20 IIBD O=C(Oc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 777982886 OEYWZFWMRMTTBM-INIZCTEOSA-N 431.351 4.194 5 20 IIBD O=C(c1cc([N+](=O)[O-])c2nsnc2c1)N1CCC[C@@H](COc2ccccc2Cl)C1 778394430 ULAKUXYRQPKNDX-GFCCVEGCSA-N 432.889 4.184 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCCCC1 779197695 FQLQSPGYLGCISU-GOSISDBHSA-N 445.520 4.208 5 20 IIBD Cc1c(C(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 780305482 KMIHZKBTUYBLBM-OAHLLOKOSA-N 433.289 4.431 5 20 IIBD O=C(Nc1ccc(Cl)c(OC(F)F)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 780695032 MBFDWLNODCISLC-UHFFFAOYSA-N 426.807 4.204 5 20 IIBD O=C(Oc1cc([N+](=O)[O-])ccc1I)[C@@H]1CCC[C@H](C(F)(F)F)C1 781745178 SOQMZIDGJQBXIQ-BDAKNGLRSA-N 443.159 4.474 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cc(F)c(Br)cc1F 781751992 MQHNHLMFEZNJCF-UHFFFAOYSA-N 430.161 4.115 5 20 IIBD O=C1[C@@H](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CCCN1Cc1ccccn1 784181093 KORWTSNLMCFFJY-AWEZNQCLSA-N 428.798 4.265 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)Cc2cccc(Cl)c2Cl)c([N+](=O)[O-])c1 789250358 URTXETWBZWLDLO-JTQLQIEISA-N 427.240 4.023 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2Oc2ccncc2)c(C)c1[N+](=O)[O-] 790633890 IKZZGCBQTBQJRT-UHFFFAOYSA-N 444.425 4.108 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCc1cnc(-c2ccc(Cl)cc2)s1 791321144 QROFEJUMMYKBOL-UHFFFAOYSA-N 427.873 4.038 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc(Cl)c1F 791770895 COLCDPNAVDSFPL-UHFFFAOYSA-N 449.591 4.328 5 20 IIBD CCS[C@H](C)c1noc(COC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)n1 792475890 TYUVUUMZVODWOP-SECBINFHSA-N 430.280 4.220 5 20 IIBD Cc1nc(-c2ccc(C(=O)OCCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)cc2)cs1 799517214 PIFOHRRTUZQOKK-UHFFFAOYSA-N 439.449 4.182 5 20 IIBD Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1c(F)ccc([N+](=O)[O-])c1C 800607856 ZUWPJCXPULNWBU-QGZVFWFLSA-N 441.484 4.451 5 20 IIBD CCn1ncnc1COC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 801204657 CCAXUNDMNKPEOM-UHFFFAOYSA-N 441.494 4.324 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)O[C@H](c2cncc(F)c2)C2CCCCC2)cc1[N+](=O)[O-] 802079766 ZGHVOZHBYGDPRT-IBGZPJMESA-N 436.461 4.011 5 20 IIBD CSc1cccc(C(=O)O[C@H](C)c2ccc(SCC(=O)N(C)C)cc2)c1[N+](=O)[O-] 809070470 METWSLBWEWYEFU-CYBMUJFWSA-N 434.539 4.415 5 20 IIBD Cc1cc(Cc2noc([C@H]3CN(C(=O)OC(C)(C)C)CCC3(F)F)n2)ccc1[N+](=O)[O-] 809433795 RAIIPKHHQXLJHX-CQSZACIVSA-N 438.431 4.237 5 20 IIBD C[C@H](NC(=O)Cc1noc(-c2cc([N+](=O)[O-])ccc2N2CCCCC2)n1)c1ccccc1 809458070 NOZZELDILCFAAF-INIZCTEOSA-N 435.484 4.055 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)C1CCN(C(=O)c2ccc(Cl)s2)CC1 813245187 KPFGKNVHPBNPBF-UHFFFAOYSA-N 428.297 4.454 5 20 IIBD C[C@@H](NC1(Cc2ccc(F)cc2)CCOCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 815131717 GKUQRIRIGUKRKL-CQSZACIVSA-N 435.883 4.096 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1)c1cccc([N+](=O)[O-])c1 916954086 ZBHMPIWHDPMGHQ-UHFFFAOYSA-N 446.375 4.456 5 20 IIBD Cc1c(C(=O)Nc2cccc(CN(C)C(=O)OC(C)(C)C)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 917110691 BHHPBIUDVDAOIZ-UHFFFAOYSA-N 444.444 4.431 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2cccc(N3CCOC3=O)c2)cc1[N+](=O)[O-])c1ccccn1 919712168 AKYZYEYRWVJNBQ-OAHLLOKOSA-N 447.451 4.372 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl 919928933 WDGUBZKSSJITAB-UHFFFAOYSA-N 447.296 4.199 5 20 IIBD CC(=O)N1CCN(c2ccc(C(=O)O[C@H](C)c3cccc4ccccc34)cc2[N+](=O)[O-])CC1 920408141 YZYFSIXBNVTAIP-QGZVFWFLSA-N 447.491 4.335 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCc3ccc(-n4ccnc4)cc3)cc2[N+](=O)[O-])C1 921148408 GLHFGBXOLOTQMK-ROUUACIJSA-N 433.512 4.193 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCO[C@@H](c2ccc(Cl)s2)C1 1116168555 XMODGTBCCRTFQU-QMTHXVAHSA-N 431.297 4.331 5 20 IIBD COc1ccc(NC(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c([N+](=O)[O-])c1 1123372283 KXQFLPKTGAGUBP-JTQLQIEISA-N 430.408 4.490 5 20 IIBD Cc1ccc2c(c1)S[C@@H](C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-])C2 1317741660 HWKZSXGFEKEMOK-FXAWDEMLSA-N 428.510 4.119 5 20 IIBD COc1ccc(NC(=O)c2cc(C)nc3c2cnn3Cc2ccc(C)cc2)cc1[N+](=O)[O-] 1320854396 LSXPZRWAXWMVIW-UHFFFAOYSA-N 431.452 4.266 5 20 IIBD Nc1c(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)cc(Br)cc1[N+](=O)[O-] 1321439934 QQMLVZBSTWLIGS-NSHDSACASA-N 445.273 4.101 5 20 IIBD O=C(NCCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccccc1C(F)(F)F 1347373691 WEDJKWMPFBOEEX-UHFFFAOYSA-N 436.217 4.440 5 20 IIBD CC[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1800352313 GESOSOLTCRDTOK-BGRQEXKUSA-N 431.508 4.202 5 20 IIBD Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)cc1C 1830005603 DNBGFSJPPRXGHD-NRFANRHFSA-N 438.528 4.087 5 20 IIBD O=C(c1ccccc1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830498889 MEFHTHWIWVMSJU-QFIPXVFZSA-N 439.487 4.281 5 20 IIBD C[C@@H]1C[C@]1(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830621670 QBARGDNKRYQJOH-ZOUOIUENSA-N 431.508 4.013 5 20 IIBD Cc1noc(C)c1C(=O)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 3564130 DUPGRPCBGJLBDZ-GOSISDBHSA-N 429.816 4.390 5 20 IIBD O=C(OCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)c1ccc([N+](=O)[O-])cc1 10646918 XAXDGISMUGCJHF-MRXNPFEDSA-N 441.490 4.253 5 20 IIBD O=C(COC(=O)COc1ccc(Oc2ccccc2)cc1)Nc1cc([N+](=O)[O-])ccc1F 12843754 SXSKBCCLFNNQRJ-UHFFFAOYSA-N 440.383 4.087 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2[N+](=O)[O-])cc1 15655638 ZCLMCFNGYBKVLM-UHFFFAOYSA-N 434.521 4.412 5 20 IIBD COc1cc(CCNC(=O)c2ccccc2SCc2ccco2)c([N+](=O)[O-])cc1OC 16263599 JRKUFTBIPMOHAV-UHFFFAOYSA-N 442.493 4.470 5 20 IIBD Cc1nn(Cc2ccc(C(=O)OCC(=O)c3cc4ccccc4o3)cc2)c(C)c1[N+](=O)[O-] 17158131 NQGKJLHNNPEWDN-UHFFFAOYSA-N 433.420 4.242 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 20823216 AGROFRFMMXHEQS-UHFFFAOYSA-N 426.450 4.040 5 20 IIBD CC(C)CCNC(=O)[C@H](C)OC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 22669986 VCPJGCJICPCJDU-AWEZNQCLSA-N 446.887 4.187 5 20 IIBD CCCn1c(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)nc2ccccc2c1=O 23300752 DWVAZKQKSOXOSG-CQSZACIVSA-N 426.498 4.142 5 20 IIBD O=C1CN(C(=O)CCC(=O)OCc2nc3ccccc3c3ccccc23)c2ccccc2N1 26163164 PEDSKCHOTPSJDJ-UHFFFAOYSA-N 439.471 4.197 5 20 IIBD COc1ccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc1NC(C)=O 27995364 PCUUPFYNZTZGFZ-GJZGRUSLSA-N 440.500 4.296 5 20 IIBD CS(=O)(=O)c1ccc(NC[C@H](c2c(F)cccc2Cl)N2CCCC2)c([N+](=O)[O-])c1 29622124 SZIBVAGLPVKVBW-GOSISDBHSA-N 441.912 4.040 5 20 IIBD Cc1ccccc1[C@H](OC[C@@H](O)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 59374306 FAWMYPFDUKOENQ-LADGPHEKSA-N 444.491 4.329 5 20 IIBD COc1ccc2[nH]cc(C3=CCN(S(=O)(=O)c4cc(C)c(C)cc4[N+](=O)[O-])CC3)c2c1 60499826 YQIODBNXEOALFK-UHFFFAOYSA-N 441.509 4.180 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2C(=O)N2CCC[C@H](C)CC2)c1 63273733 PZGSUTQBDJGEKL-HNNXBMFYSA-N 445.541 4.275 5 20 IIBD CCN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 72100678 OTHOFFDCSYMOPW-IBGZPJMESA-N 439.512 4.133 5 20 IIBD O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 108256299 VSZMJVCASVVXOG-UHFFFAOYSA-N 442.686 4.153 5 20 IIBD O=C(NCCCNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1cccc(O)c1 237978553 UGGJCSDCYXGHGH-UHFFFAOYSA-N 439.443 4.142 5 20 IIBD Cc1cc(N2CCCN(C(=O)c3cccc(F)c3)CC2)c(Br)cc1[N+](=O)[O-] 302622205 ACVZFTBVTUXSIA-UHFFFAOYSA-N 436.281 4.157 5 20 IIBD Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)s2)cc1 303269120 GWHRZJVYGQQQEL-AWEZNQCLSA-N 448.508 4.407 5 20 IIBD CN(CCCNC(=O)C1CCC1)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 429505480 UUUSNIJDYZYLID-UHFFFAOYSA-N 445.903 4.419 5 20 IIBD CCCNC(=O)[C@@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)c2ccccc2O1 429980813 UIPNXNIKXOGJLJ-FQEVSTJZSA-N 438.509 4.012 5 20 IIBD Cc1cc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n(Cc2ccccn2)n1 430839680 PJGRGXXGEIYMMY-UHFFFAOYSA-N 448.405 4.003 5 20 IIBD CC(=O)N(Cc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1)C1CC1 431466479 UAFBUIXKBIGQTB-UHFFFAOYSA-N 432.274 4.121 5 20 IIBD COc1cccc([C@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])c2cc(F)ccc2OC)c1 435815348 DPHGJEKNABKFAY-NRFANRHFSA-N 440.427 4.279 5 20 IIBD NC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1 435950182 PVMBFNACDGZDRH-UHFFFAOYSA-N 440.503 4.023 5 20 IIBD Cc1cc(C)c(NC(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c(Br)c1 437039282 AOOKMXUIARCWRF-UHFFFAOYSA-N 446.301 4.104 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(OCc2cccc(C)c2)cc1C 439525785 RFTYBWJQYOXVEP-UHFFFAOYSA-N 449.463 4.376 5 20 IIBD CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 440530232 JMKVLYNHDMXKDB-OAQYLSRUSA-N 436.556 4.179 5 20 IIBD Cc1csc(NC(=O)CS[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 443476320 SSLQXCQNODIVNZ-SECBINFHSA-N 448.448 4.077 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CC[C@@H](OCCN2CCCC2)C1 443869697 QOKDYMOHOPTOPB-LJQANCHMSA-N 441.553 4.073 5 20 IIBD Cn1cnc([N+](=O)[O-])c1-c1noc(Cc2cccc(OCc3cccc(Cl)c3)c2)n1 445571795 BCCWLHNEPCZAOJ-UHFFFAOYSA-N 425.832 4.202 5 20 IIBD CC[C@@H](NC(=O)Cc1noc(-c2cc(Br)cc([N+](=O)[O-])c2)n1)c1ccccc1 445721775 GXPMLGRBDAXEJP-MRXNPFEDSA-N 445.273 4.217 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 448075287 UXNFUJVHGZWVTC-SCLBCKFNSA-N 431.334 4.359 5 20 IIBD O=C(NC[C@H]1CCN(c2ccccc2F)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 462371665 RNOYNPNKPFKWQY-CQSZACIVSA-N 426.473 4.114 5 20 IIBD C[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 462635097 ABYGCPAGKGZJIN-QGZVFWFLSA-N 438.505 4.402 5 20 IIBD C[C@H](NC/C=C/c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1OCCCO 463029037 QABOFVTVQHSSPI-SZTZYQKNSA-N 435.318 4.483 5 20 IIBD COc1ccc(C2CCN(C(=O)CSCc3ccc(OC)c([N+](=O)[O-])c3)CC2)cc1 465382115 WRCJWJWRIYMOJU-UHFFFAOYSA-N 430.526 4.251 5 20 IIBD O=C(Nc1cc(F)c(F)cc1I)c1ccc([N+](=O)[O-])cc1Cl 467514392 QUZVLTABMLJCGG-UHFFFAOYSA-N 438.555 4.383 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2cccc3cnccc23)C[C@@H]1C 470411043 HFUVPVGHPKKJQT-ICSRJNTNSA-N 432.524 4.449 5 20 IIBD Cc1ccc(Sc2ccc(CN[C@@H](C)CCN3CCN(C)CC3)cc2[N+](=O)[O-])cc1 472160875 VBBZRQSQLCOCQD-IBGZPJMESA-N 428.602 4.170 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 472751968 NIKQDSVITWZHQR-UHFFFAOYSA-N 428.919 4.406 5 20 IIBD COc1ccc(CN(C(=O)CCOc2ccccc2[N+](=O)[O-])c2nccs2)c(OC)c1 474747656 WDKUCEWAXOEQKI-UHFFFAOYSA-N 443.481 4.071 5 20 IIBD COc1ccc(CN(CCc2ccccn2)C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cc1 478175729 RVMSTSCHDKDCCH-UHFFFAOYSA-N 430.464 4.365 5 20 IIBD Cc1c(NC(=O)C(=O)N2CC=C(c3ccccc3C(F)(F)F)CC2)cccc1[N+](=O)[O-] 479120875 WFVBVZWLDWVCHL-UHFFFAOYSA-N 433.386 4.176 5 20 IIBD CCc1cc(N2CC[C@H](CN(CC)CC(F)(F)F)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 479451387 GHUUEKMVSXXZRT-OAHLLOKOSA-N 437.466 4.325 5 20 IIBD O=[N+]([O-])c1cc2c(c(CSc3nnc(-c4ccccn4)n3-c3ccccc3)c1)OCOC2 479931872 PPZOSSWTXZJWPJ-UHFFFAOYSA-N 447.476 4.396 5 20 IIBD CC(C)(C)OC(=O)CCc1cccc(N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 480136696 IFVVZMDZNXTSMM-HXUWFJFHSA-N 425.485 4.087 5 20 IIBD CSc1ccc(C(=O)N2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)cc1[N+](=O)[O-] 481872681 USSHXUKUKWKHFI-UXHICEINSA-N 425.554 4.443 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)c1 484580447 BCBIQWZZIWTOJG-UHFFFAOYSA-N 435.259 4.137 5 20 IIBD Cc1ccc(NC(=O)N2CCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)CC2)cc1Cl 486154661 SAIZUCLUSJLAAS-UHFFFAOYSA-N 448.932 4.025 5 20 IIBD C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1sc(Br)cc1[N+](=O)[O-] 486186380 BBIQNYZSPGJHTG-GXTWGEPZSA-N 438.347 4.059 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)N1CCc2sccc2[C@H]1c1ccccc1 487866845 BOQRJSVPUOUNKO-HSZRJFAPSA-N 445.500 4.146 5 20 IIBD CN(C)C(=O)c1cccc(CCNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 488229662 YBBLALWBHYFNPW-UHFFFAOYSA-N 449.532 4.420 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1[N+](=O)[O-] 489272107 TVNVVIHNVRYCKT-CABCVRRESA-N 425.489 4.309 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 489408742 NFOZCAILCIRMOM-AWEZNQCLSA-N 439.497 4.195 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])NCc1ccc(Cn2cnc3ccccc32)cc1 489622701 LVAFGKQCOCUXTL-UHFFFAOYSA-N 430.464 4.078 5 20 IIBD CCN(CC)c1ccc(-c2nnc(SCC(=O)c3ccc([N+](=O)[O-])cc3)n2C)cc1 496014190 MIQSYZDPHMNLSN-UHFFFAOYSA-N 425.514 4.212 5 20 IIBD CCCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H](C)CC(=O)Nc1ccccc1 500600389 ADMQNMKPCCJDCP-SFHVURJKSA-N 438.528 4.465 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@@H]1CCOc2c(-c3ccccc3)cccc21 500688127 NYYULSUHJPUPSG-OAQYLSRUSA-N 438.505 4.248 5 20 IIBD O=C(NCc1cc(Br)cs1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 501133948 XQZSTZFYFOVQLG-UHFFFAOYSA-N 439.209 4.290 5 20 IIBD O=C(N[C@H](COc1ccccc1)c1ccccc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 502356832 VBRBALQQRQKKNI-HSZRJFAPSA-N 428.448 4.331 5 20 IIBD Cc1ccc(C(=O)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)cc1[N+](=O)[O-] 505259999 CRUTYTPEOQQOCH-UHFFFAOYSA-N 446.301 4.157 5 20 IIBD Cc1ccc(NC(=O)[C@H]2CCc3ccccc3N2C(=O)Cc2ccccc2[N+](=O)[O-])cc1 508485888 GFNREMOFIJCKSJ-HSZRJFAPSA-N 429.476 4.432 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2 511283069 DZCUYVGGENPPLS-NSHDSACASA-N 436.262 4.320 5 20 IIBD COc1ccc(Cl)cc1-c1cc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)n[nH]1 512846575 PSYHHKKMIXOABP-UHFFFAOYSA-N 438.831 4.085 5 20 IIBD CCCc1c(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2CC)cnn1-c1ccccc1C 514697208 OEQFDPCOLJBQPU-UHFFFAOYSA-N 435.484 4.181 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 518522812 OQEGGJIWCCHBOM-UHFFFAOYSA-N 441.669 4.079 5 20 IIBD CCCO[C@@H]1CCCN(c2ccc(C(=O)c3ccccc3C(=O)OC)cc2[N+](=O)[O-])CC1 518660872 FHCVGNQKQXVLRI-GOSISDBHSA-N 440.496 4.398 5 20 IIBD Cc1cccc(COc2cccc(NC(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)c2)c1 518896887 MPTUOZKEOUPPBR-UHFFFAOYSA-N 429.436 4.315 5 20 IIBD Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 522676860 UTFIHLCYUNMWTR-LJQANCHMSA-N 426.492 4.041 5 20 IIBD COc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1OCc1cccnc1 522740196 GYZILDVJEQVYIH-UHFFFAOYSA-N 427.844 4.412 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)cc1[N+](=O)[O-] 523913553 SHOSRJRVAULNRR-KRWDZBQOSA-N 428.464 4.068 5 20 IIBD COC(=O)c1cc(NC(=O)c2cccc(NC(=O)C3CCCCC3)c2)cc([N+](=O)[O-])c1 524042428 LGPZVMXXPQOYHD-UHFFFAOYSA-N 425.441 4.153 5 20 IIBD CC1CCN(c2ccc(C(=O)N3C[C@H](C)C(=O)N(C)c4ccccc43)cc2[N+](=O)[O-])CC1 525018935 JSEZKWBDYPKKLD-KRWDZBQOSA-N 436.512 4.090 5 20 IIBD COc1cc(C(=O)NCc2cccc(NC(=O)c3ccc(C)cc3)c2)cc([N+](=O)[O-])c1OC 525541262 KNXHMLZCDRKKSR-UHFFFAOYSA-N 449.463 4.103 5 20 IIBD COC(=O)[C@@H]1CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c2ccccc21 530501327 WNDDPVHIERPULL-LJQANCHMSA-N 431.448 4.124 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@H](c2nc3ccccc3s2)C1 533012449 KTOGHNJFNDINAF-CABCVRRESA-N 440.525 4.420 5 20 IIBD Cc1cccc(NC2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Br)CC2)c1 533070856 BNRFIGINWCFDEQ-UHFFFAOYSA-N 447.333 4.181 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@@H]3[C@H]4CCO[C@@H]4C34CCC4)cc2[N+](=O)[O-])n1 533140082 GDMXAYMSHOZMKL-XYPHTWIQSA-N 431.539 4.198 5 20 IIBD CCN(CCCO)C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 534547832 MABFYVDLDKFLNY-SAPNQHFASA-N 425.510 4.366 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(C[S@](=O)Cc3nc(-c4ccc(Cl)cc4)no3)co2)cc1 534795772 NIOHYMZBZRUIHS-PMERELPUSA-N 444.856 4.402 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cc(Br)ccc1-n1cccn1 536269759 WBIRXOIYZGGMCV-UHFFFAOYSA-N 440.257 4.206 5 20 IIBD COc1ccc(C(=O)NCC(=O)Nc2ccccc2O[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] 541150224 PTYWOYXTTSNQMB-INIZCTEOSA-N 449.463 4.112 5 20 IIBD CN(C)C(=O)c1cc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])ccc1Cl 541294774 WUTIOQUZHSHPBC-UHFFFAOYSA-N 428.297 4.334 5 20 IIBD CCN(CC)c1ccc(-c2nnc(Sc3ncnc4cccc([N+](=O)[O-])c34)n2C)cc1 541591199 SMEBHVRAWACYCL-UHFFFAOYSA-N 435.513 4.331 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 542056546 YSOVYNBNXXFKFY-ZDUSSCGKSA-N 428.436 4.399 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC[C@@H]1CCO[C@H](C)C1 542281599 HIIJJYYIOHQLHK-HZPDHXFCSA-N 449.529 4.021 5 20 IIBD CN(C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 542651922 OXAAYSVMAFCULM-QMMLZNLJSA-N 447.601 4.201 5 20 IIBD Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 544162632 KLBHHBVXCWAHOU-UHFFFAOYSA-N 430.424 4.269 5 20 IIBD O=C(NCCC[C@@H]1CCCCO1)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 544871271 BTTZOOCCTSJKAJ-HNNXBMFYSA-N 449.554 4.212 5 20 IIBD CC(C)Oc1ccc(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])c(C(F)(F)F)c1 546775752 BYONNTJFPOAQNU-UHFFFAOYSA-N 432.420 4.020 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CC[C@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] 553325556 CSSNLNWNRCZRTQ-HNNXBMFYSA-N 429.889 4.115 5 20 IIBD CN(CCc1ccc(Cl)cc1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 559241941 PFRSZTZBDVDAHH-KRWDZBQOSA-N 441.919 4.222 5 20 IIBD O=C(Nc1ccc(CCN2CCSCC2)cc1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 559331175 CUBKTNIYEPYLEF-UHFFFAOYSA-N 439.459 4.457 5 20 IIBD CC(C)c1ccc(-c2noc([C@@H]3CCCN3S(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 566565464 KSFFUPNWSYTKBT-IBGZPJMESA-N 442.497 4.294 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC(c2noc3cc(F)ccc23)CC1 566825104 FIGYXOGTZMASRR-CYBMUJFWSA-N 442.447 4.090 5 20 IIBD NS(=O)(=O)c1c(N[C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] 571309412 HIRCVBDWEARCQL-ZIAGYGMSSA-N 429.420 4.009 5 20 IIBD CC(C)CCSc1ccc(C(=O)N(C)CC(=O)NCc2ccccc2)cc1[N+](=O)[O-] 573526727 OGQYVUWOZDSZCM-UHFFFAOYSA-N 429.542 4.121 5 20 IIBD Cc1ccccc1COc1c(C)cc(CN(C)c2nccc(C(N)=O)c2[N+](=O)[O-])cc1C 576676182 QKIPAODJEOJIBN-UHFFFAOYSA-N 434.496 4.229 5 20 IIBD CCCC(CCC)S(=O)(=O)Cc1cc(I)cc([N+](=O)[O-])c1 579538706 SERJXXNHNRWWTC-UHFFFAOYSA-N 425.288 4.083 5 20 IIBD Cn1cc(C(=O)NC[C@@H](Cc2ccccc2)C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 583077207 KBYHJHFDXOFWOY-MRXNPFEDSA-N 432.402 4.146 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H]2c2nc(CCC3CCCCC3)no2)c1 583590088 ZPYSBTQZJFHJRY-GOSISDBHSA-N 434.518 4.017 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F 588940138 HJLXJOOPNFDFAY-MRXNPFEDSA-N 431.798 4.248 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H](NC(=O)c1ccccc1Br)C(C)C 603501358 JTNOEPDXRITKJT-GOSISDBHSA-N 448.317 4.367 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCCc2nc(C)cs2)cc1[N+](=O)[O-] 603558687 LZOKEPIPEUXNDV-UHFFFAOYSA-N 441.534 4.285 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)Cc1ccc(-n2cccc2)cc1)c1ccccc1[N+](=O)[O-] 603573983 DGVUVXIIGRFFGF-NRFANRHFSA-N 435.480 4.127 5 20 IIBD C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)Nc2ccccc2)cc1 603900769 WKAHFCBNEVMWIJ-MRXNPFEDSA-N 434.452 4.495 5 20 IIBD C[C@H](NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1cccc([N+](=O)[O-])c1 603965999 WCNJNSJSBKIIHC-KRWDZBQOSA-N 430.464 4.401 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2nc3c(C)ccc(C)c3s2)ccc1[N+](=O)[O-] 608802939 OAEWKFBXRICPOU-KRWDZBQOSA-N 438.509 4.373 5 20 IIBD CC(C)[C@H](NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 608880158 YAMFWJHWLVKVSD-UGSOOPFHSA-N 437.418 4.245 5 20 IIBD Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n(-c2cccc(C(F)(F)F)c2)n1 608927669 DKAKYZLLSCABPV-UHFFFAOYSA-N 444.366 4.048 5 20 IIBD COc1cc(C(=O)N2CCCc3cc(Br)cc(C)c32)c([N+](=O)[O-])cc1OC 609102232 HBAXDVWOEHSIOE-UHFFFAOYSA-N 435.274 4.276 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC(c2nc(-c3ccccc3)no2)CC1 609141951 XPJYNEOVAHLOBG-UHFFFAOYSA-N 447.495 4.265 5 20 IIBD CCCOc1ccc(Cl)cc1NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 609501492 UQURAVXZJBMHIU-CQSZACIVSA-N 437.905 4.342 5 20 IIBD C[C@@H](Nc1ccn(Cc2ccccc2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 609633649 JMWBMCPFCOQBHN-CYBMUJFWSA-N 433.390 4.298 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 609665062 WSIGYOWPZBHDJG-QGZVFWFLSA-N 436.434 4.201 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1cc(OC)ccn1 609694195 ASLYHQXFPZWNCY-UHFFFAOYSA-N 427.438 4.156 5 20 IIBD C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 609913043 STYBBDDZSBBABX-CYBMUJFWSA-N 445.932 4.231 5 20 IIBD COCCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)c1nc2ccccc2s1 610037722 OMMLUZCFOYWXOC-UHFFFAOYSA-N 436.287 4.260 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCC(OCc3ccccc3F)CC2)cc1SC 611261962 APVPYDPVLJQJAX-UHFFFAOYSA-N 434.489 4.286 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C(F)(F)F)CC[C@@H]1C 611549501 UUQMJOWBRFSCNH-RYUDHWBXSA-N 434.436 4.053 5 20 IIBD O=[N+]([O-])c1cc2c(cc1CNCc1nc3c(s1)C[C@H](c1ccccc1)CC3)OCCO2 613417878 YFGOPUBDCHFTPY-MRXNPFEDSA-N 437.521 4.385 5 20 IIBD C[C@H](C(=O)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2)c1cccc([N+](=O)[O-])c1 617754717 OYQVRUFTQOOMOO-GKCIPKSASA-N 430.451 4.104 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(COCCc2ccccc2)c1 619467175 RQZAVFUNAQIXDL-UHFFFAOYSA-N 442.493 4.164 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)N1c2ccccc2CC[C@H]1C 725985441 JMLKGRDGVZUMNG-OLZOCXBDSA-N 447.285 4.271 5 20 IIBD O=C(COC(=O)[C@@H](OC1CCCC1)c1ccccc1)Nc1cc(Cl)ccc1[N+](=O)[O-] 727018694 XTKICEAMKDXPOX-FQEVSTJZSA-N 432.860 4.430 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cnc(Cc2ccc(F)cc2)s1 727216888 BETBOAMQEFGTHW-UHFFFAOYSA-N 430.413 4.005 5 20 IIBD Cc1nnc(S[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)n1CCc1cccs1 727654547 USTPSDJWDYMJCW-NSHDSACASA-N 435.506 4.057 5 20 IIBD CC1CCN(c2ccc(C(=O)Oc3ccc(C(=O)N4CCCC4)cc3)cc2[N+](=O)[O-])CC1 728494384 GKIYVGFPAIQQGF-UHFFFAOYSA-N 437.496 4.286 5 20 IIBD Cc1cc(C(=O)NC[C@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)ccc1[N+](=O)[O-] 728973322 OQWNUEBKRIOEBK-INIZCTEOSA-N 436.308 4.102 5 20 IIBD C[C@@H](Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)C(=O)Nc1cccc([N+](=O)[O-])c1 732229348 XRPJHCRSISNEGK-OAHLLOKOSA-N 440.500 4.327 5 20 IIBD Cc1ccc(COc2cccc(NC(=O)C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)c2)cc1 732477440 CMNVSKFXCDNJIC-QGZVFWFLSA-N 433.464 4.298 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NS(=O)(=O)c1ccc(-c2ccccc2)cc1 732612980 BKTXTWAFIXQXDK-HNNXBMFYSA-N 442.518 4.248 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCSC[C@H]1c1ccc(Cl)cc1 734804262 MGKGKDFQCVILCX-FQEVSTJZSA-N 447.944 4.015 5 20 IIBD O=C(CCCNC(=O)c1ccc(Cl)cc1)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 735444541 XUNRFGDFZGTDQI-UHFFFAOYSA-N 443.843 4.157 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 735645017 YMDMLKYSBLDPSO-UHFFFAOYSA-N 435.841 4.343 5 20 IIBD CN1C(=O)CC[C@H](COC(=O)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(C(F)(F)F)cc1 737376102 QULWKVVHGAUBGO-AUUYWEPGSA-N 436.386 4.380 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)OC[C@@H]2CCC(=O)N(C)[C@@H]2c2cccc(Cl)c2)c1 740599449 TXFQIMIQXOARPK-VBKZILBWSA-N 432.860 4.023 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCc1cc(Cl)ccc1Cl 744589895 NJDVXIZKQULLDF-UHFFFAOYSA-N 425.224 4.333 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ncccc1OCc1cccc(Cl)c1 746565865 RDPWXMWIKMIVGR-UHFFFAOYSA-N 437.843 4.211 5 20 IIBD CC(C)[C@@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N1C[C@@H](C)C[C@@H](C)C1 747963680 YPLKBNVTDJDSGQ-ZRGWGRIASA-N 445.541 4.404 5 20 IIBD Cc1ccsc1[C@@H]1C[C@H]1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 748452780 WZKOEONFJKTOCP-VXGBXAGGSA-N 428.388 4.269 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NC3CCC(C)(O)CC3)c([N+](=O)[O-])c2)c(C)c1 749282278 LXZWPNGMGDBBKE-UHFFFAOYSA-N 433.530 4.118 5 20 IIBD CN(CCOCc1ccccc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 749575784 KQMJRADNGJSURE-UHFFFAOYSA-N 427.682 4.300 5 20 IIBD Cc1c(Br)cc(C(=O)OCc2ccc(Br)cn2)cc1[N+](=O)[O-] 753429614 ASSQPDKHOWBRPF-UHFFFAOYSA-N 430.052 4.180 5 20 IIBD COc1ccc(CN2CCC[C@H](C3(C)OCCO3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 753593797 HQXFPKBSDVZVRA-FQEVSTJZSA-N 442.512 4.157 5 20 IIBD C[C@@H](C(=O)Nc1ccc(N2CCC(CN(C)C)CC2)cc1)c1ccc([N+](=O)[O-])cc1F 754297078 GPBGNHMMZNPGKD-MRXNPFEDSA-N 428.508 4.254 5 20 IIBD CC[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)Oc1cccc(F)c1 755020811 GOGOEVKVKZMQCP-GFCCVEGCSA-N 429.217 4.223 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)CCc2cccc([N+](=O)[O-])c2)c(Br)c1 756529158 RZVANRBNOGHHTB-CYBMUJFWSA-N 435.274 4.169 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1Br 757778931 ATDGEOFUAYACLJ-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1Br 758302555 MXVIZBLZKMKBJP-LBPRGKRZSA-N 439.237 4.307 5 20 IIBD O=C(Nc1nnc(Cc2ccccc2F)s1)c1cccc([N+](=O)[O-])c1Br 758306263 DJVNFSPRELAFSV-UHFFFAOYSA-N 437.250 4.191 5 20 IIBD O=C(Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1)c1ccc([N+](=O)[O-])cn1 761840531 FQRVEYDVTFIEBU-UHFFFAOYSA-N 442.771 4.023 5 20 IIBD C[C@H](C(=O)NCc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2)c1cccc([N+](=O)[O-])c1 762316283 KNTXGLYMXMLKLA-HNNXBMFYSA-N 425.485 4.265 5 20 IIBD COc1ccccc1-c1nc(COC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)cs1 762973405 WUHCJVGUILLWFV-UHFFFAOYSA-N 428.451 4.089 5 20 IIBD COc1ccccc1NC(=O)c1ccc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)cc1 763371055 YOWWQKMEVAGIQT-UHFFFAOYSA-N 427.363 4.386 5 20 IIBD C[C@H](C(=O)OCC(=O)Nc1ccc(OC(F)F)c(Cl)c1)c1cccc([N+](=O)[O-])c1 763426350 RLMKVVWBNHONPH-JTQLQIEISA-N 428.775 4.135 5 20 IIBD COc1ccc2nc(Cl)ccc2c1S(=O)(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 764956134 RQWCDKIBWKTLHH-UHFFFAOYSA-N 444.856 4.154 5 20 IIBD O=[N+]([O-])c1ccc(N[C@@H]2CCO[C@H](C3CC3)C2)c([N+](=O)[O-])c1N[C@@H]1CCO[C@H](C2CC2)C1 765080962 QRWPRFBOXYPSHC-YKCBXCCJSA-N 446.504 4.242 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 765407999 POQOYYDEPRNSDY-OALUTQOASA-N 433.549 4.269 5 20 IIBD CNc1c(C(=O)O[C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)cccc1[N+](=O)[O-] 765523446 WKWMWJMEYFBRFE-ZDUSSCGKSA-N 432.502 4.004 5 20 IIBD C[C@H](OC(=O)CSc1nccc2ccccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 767416173 XHAYYTJRZMBSAQ-LBPRGKRZSA-N 445.884 4.459 5 20 IIBD CCn1c(=O)oc2cc(S(=O)(=O)Oc3ccc([N+](=O)[O-])cc3-c3cccs3)ccc21 767672376 RRWZKYICIYVUJT-UHFFFAOYSA-N 446.462 4.019 5 20 IIBD CC(C)(C)OC(=O)NC[C@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCC1 769921715 SZDFQZREIJXQAB-IBGZPJMESA-N 430.505 4.423 5 20 IIBD C[C@H](NC(=O)COC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl 770079953 AHRHBMTUZDYITE-NSHDSACASA-N 443.308 4.414 5 20 IIBD O=C(Nc1cccc(Oc2ncc(Br)cn2)c1)c1cc(F)ccc1[N+](=O)[O-] 770667269 VLULNMLGBFUEPW-UHFFFAOYSA-N 433.193 4.331 5 20 IIBD COc1cc([C@@H](C)NCc2cc([N+](=O)[O-])ccc2Cl)ccc1S(=O)(=O)C(F)F 773040089 JCTFTBIXZZKWPX-SNVBAGLBSA-N 434.848 4.104 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cccc1[N+](=O)[O-] 775087060 OGRLXXRHXVUXDZ-CYBMUJFWSA-N 447.469 4.496 5 20 IIBD O=C(O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])[C@@H]1CC(c2c(F)cccc2F)=NO1 776220751 MORLWJLQIQUZDX-PZJWPPBQSA-N 439.374 4.094 5 20 IIBD COCC[C@H](Nc1cc([N+](=O)[O-])c(OC)c(Br)c1[N+](=O)[O-])c1ccco1 779925966 OQJFUTSXCBZQLG-VIFPVBQESA-N 430.211 4.057 5 20 IIBD C[C@H](OC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc(-c2ccc(Cl)cc2)no1 781739597 PDKYNDNJNUWLOR-NSHDSACASA-N 446.803 4.443 5 20 IIBD CSc1cc(C(=O)COC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)ccc1NC(C)=O 784257065 PEVJHVGZMBKDJV-UHFFFAOYSA-N 430.482 4.438 5 20 IIBD CN(C(=O)COC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1ccc([N+](=O)[O-])cc1 785420669 YBYIUEFCEZRQDK-UHFFFAOYSA-N 442.431 4.025 5 20 IIBD Cc1cccc(-c2nnc([C@@H](C)OC(=O)COc3ccc([N+](=O)[O-])c4cccnc34)o2)c1 786788314 WKQRILZCZMOVQM-CQSZACIVSA-N 434.408 4.185 5 20 IIBD O=C(O[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1)C1(c2cccc(F)c2)CCOCC1 787030677 LMRYIAFMSGWPLF-LJQANCHMSA-N 446.450 4.133 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cc([N+](=O)[O-])ccc1OC(F)F 789965805 BJPXKNUBQZAMCT-UHFFFAOYSA-N 436.352 4.480 5 20 IIBD O=C([C@@H]1SCCc2ccccc21)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791246128 SUGROAXEVGZZIF-GOSISDBHSA-N 433.327 4.273 5 20 IIBD Cc1c(C(=O)Nc2ccc3c(c2)N(CC(F)F)CCS3)cc([N+](=O)[O-])cc1[N+](=O)[O-] 791397781 QLIOFOPXJWHRDL-UHFFFAOYSA-N 438.412 4.241 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H](C)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 798787449 RUXWRBCMQYKCTD-NWDGAFQWSA-N 440.374 4.296 5 20 IIBD C[C@@H](OC(=O)c1cc(-c2ccco2)nn1-c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] 811750642 BVAVRYDVLQNBBC-OAHLLOKOSA-N 446.419 4.225 5 20 IIBD O=[N+]([O-])c1ccc(C(F)(F)F)c(-c2nc(-c3cccc(CN4CCOCC4)c3)no2)c1 904497431 KJXKAFOSFLAZCX-UHFFFAOYSA-N 434.374 4.163 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)cc2)cc1 912764413 HLCWVXCQZHWMLY-UUASQNMZSA-N 437.477 4.356 5 20 IIBD C[C@H](OC(=O)c1cc(Cl)ccc1Br)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 913344707 INDIRFQTQGPYAJ-QMMMGPOBSA-N 445.628 4.334 5 20 IIBD CCOc1ccc(-c2nc(C(=O)O[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)cs2)cc1 914994706 ZENLWWZEWFLQBF-CYBMUJFWSA-N 441.465 4.301 5 20 IIBD C[C@H](NC(=O)COC(=O)CCOc1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 915447606 BKKSCUNMSRHTSO-LBPRGKRZSA-N 441.267 4.091 5 20 IIBD CCCc1ccc(N)c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 919197741 GERXYRFYWXYADD-LLVKDONJSA-N 439.390 4.332 5 20 IIBD CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)OC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 919526900 ZUNHLKFZZVNAQM-GFCCVEGCSA-N 435.392 4.209 5 20 IIBD Cc1nn(C(C)(C)C)c(C)c1C(=O)OCCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 920146863 NAXDICDCVPJCNO-UHFFFAOYSA-N 429.395 4.418 5 20 IIBD C[C@@H](OC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccccc1Br 920514783 UEOBSXDMPRZIGM-GFCCVEGCSA-N 449.257 4.350 5 20 IIBD CC1=C(C(=O)N(C)C)[C@@H](c2cc(Cl)ccc2[N+](=O)[O-])NC(=S)N1c1ccccc1F 1319015508 GHYWIGVJGXXGAU-GOSISDBHSA-N 448.907 4.185 5 20 IIBD COc1cc(C(=O)N2[C@@H](C)[C@@H](c3ccccc3)OC[C@H]2C)c([N+](=O)[O-])cc1OC(F)F 1518404296 QTOFTJGAFRUUPG-NQCMUKECSA-N 436.411 4.196 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3nc[nH]c3[N+](=O)[O-])cc2)CCC1)c1ccc(Cl)s1 1788608939 GUSCKZVMUBSLQY-UHFFFAOYSA-N 445.888 4.094 5 20 IIBD Cc1ccncc1CCC(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1 1790184251 JFFXYTHZLQZKEJ-UHFFFAOYSA-N 447.495 4.007 5 20 IIBD Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4F)cc3)CCC2)n1 1790622140 MGLGDJCFNDJLPY-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD C[C@@]1(C(=O)N2CC3(CCCN3C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C2)CC=CCC1 1845739850 RJKRJNXPGYHXRB-JOCHJYFZSA-N 439.537 4.373 5 20 IIBD CCOC(=O)c1cc(C(=O)N[C@H](C)c2nc3ccccc3n2C(F)F)cc([N+](=O)[O-])c1 9759487 VIKCWTXVNULWBB-LLVKDONJSA-N 432.383 4.007 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1ccccc1Oc1ccccc1 10051162 TTYGJFPNSCSXAR-UHFFFAOYSA-N 435.436 4.249 5 20 IIBD C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 12670627 RAJBMZSBPJQJSJ-IRXDYDNUSA-N 426.469 4.120 5 20 IIBD CC(C)[C@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 15027195 MYMBCCGVSRGUMQ-SFHVURJKSA-N 435.274 4.256 5 20 IIBD C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 15592471 NUUQTZISYBZMTR-GJZGRUSLSA-N 429.448 4.155 5 20 IIBD C[C@@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N(C)Cc1nc2ccccc2s1 22469909 BNZVMCJBJURTMH-LLVKDONJSA-N 433.873 4.062 5 20 IIBD Cc1ccc(-c2csc(NC(=O)COC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 23551944 PAYJJVONMLKIDT-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 29366145 GMCGDUMKWBCNHN-UHFFFAOYSA-N 434.452 4.426 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(N[C@@H](c2ccccc2)c2ccccn2)c([N+](=O)[O-])c1 36226897 IJSSYUMTCYWUNF-QFIPXVFZSA-N 440.525 4.222 5 20 IIBD CN(C)CCN(Cc1ccccc1F)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 65118796 NQWOJHMTIDTUII-UHFFFAOYSA-N 428.489 4.061 5 20 IIBD CC(=O)Nc1cccc(-n2c(SCCOc3ccccc3[N+](=O)[O-])nnc2C2CC2)c1 108252643 IATLANNATWEXCY-UHFFFAOYSA-N 439.497 4.182 5 20 IIBD CN(C(=O)c1ccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1)C1CCCCC1 108433933 UNTILQFBTOUGKI-UHFFFAOYSA-N 447.495 4.438 5 20 IIBD COc1cc(C(=O)NC(C)(C)c2noc(C)n2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 110136959 ZINZBGPEFJLMIS-UHFFFAOYSA-N 446.847 4.406 5 20 IIBD COc1ccccc1C(C)(C)CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 116088284 NYXFBABZKXSCAW-UHFFFAOYSA-N 426.391 4.252 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N[C@H]1CCO[C@H](c2ccccc2)C1 302149640 AVLYNSGSULBGEA-AVRDEDQJSA-N 445.541 4.102 5 20 IIBD CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc([N+](=O)[O-])cc1Cl 303012518 RFSKRPXJFFJVEZ-UHFFFAOYSA-N 429.826 4.471 5 20 IIBD CCOC(=O)c1cc(C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)cc([N+](=O)[O-])c1 409466789 VWQXYJJQHVOOQC-UHFFFAOYSA-N 439.399 4.028 5 20 IIBD CS(=O)(=O)Nc1ccccc1NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 425961609 TYEOMHHMWSIFDY-UHFFFAOYSA-N 443.506 4.370 5 20 IIBD C[C@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1ccc(OC(F)(F)F)cc1 427895514 LVUGLQDVKCJHRF-LBPRGKRZSA-N 435.358 4.298 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1 430034125 INIVJSJTPFWNJO-AWEZNQCLSA-N 447.257 4.161 5 20 IIBD COc1ccc(C(=O)C2CCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])CC2)cc1 430589518 DSYPLMHBEZDMKB-UHFFFAOYSA-N 447.285 4.101 5 20 IIBD Cc1cnc([C@H](C)CNc2ccc([N+](=O)[O-])c(NC[C@@H](C)c3ncc(C)s3)n2)s1 433763087 UKDBUUFMQHLSBS-VXGBXAGGSA-N 432.575 4.951 5 20 IIBD Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 434337802 ZERQAEXQTAHXDR-IBGZPJMESA-N 439.903 4.452 5 20 IIBD CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 435810329 SJNHPFPLYUDZAE-IBGZPJMESA-N 437.496 4.040 5 20 IIBD CCNC(=O)Nc1cccc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1 436310974 WFJMYPJMHGISOX-UHFFFAOYSA-N 436.418 4.353 5 20 IIBD O=C(Nc1ccc(NC(=O)c2cc(Cl)ccc2O)c(Cl)c1)c1cc([N+](=O)[O-])c[nH]1 436661101 VNZQRUXBDHCUHZ-UHFFFAOYSA-N 435.223 4.440 5 20 IIBD O=C(Nc1ccccc1F)N1CCC[C@@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 438128497 CBRXQRFSVMCPLJ-QGZVFWFLSA-N 440.475 4.169 5 20 IIBD COc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c2ccccc2Cl)c(OC)c1 440475373 DYZPQPNBNIGIDU-OAQYLSRUSA-N 442.855 4.490 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1sc2ccc(Cl)cc2c1C 443319383 KEOHGPYYSZJWMH-UHFFFAOYSA-N 447.900 4.425 5 20 IIBD CCOC(=O)C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(F)cc1 443871323 WATSPYQJZQJFKL-HNNXBMFYSA-N 428.338 4.177 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1cccc(NC(=O)NCc2ccncc2)c1 443960445 OEIUYACCUOSJEP-UHFFFAOYSA-N 448.483 4.250 5 20 IIBD Cc1noc(COc2ccc(NC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)cc2)n1 444026769 ZBCPZPTXWRKVIL-UHFFFAOYSA-N 444.422 4.343 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 444087291 KYVKLNIDCSMODM-HSZRJFAPSA-N 431.473 4.477 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 444926418 BKAJZGBGJTTWIU-CQSZACIVSA-N 435.440 4.133 5 20 IIBD C[C@H](Oc1cccnc1NC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccccc1 445177765 TWFLIGNWSLPLHC-AWEZNQCLSA-N 432.440 4.328 5 20 IIBD COc1cccc([C@H]2[C@@H](c3nc(Cc4cccc([N+](=O)[O-])c4C)no3)CC(=O)N2C2CC2)c1 445230442 IWTMDOSJBPRCPD-CVDCTZTESA-N 448.479 4.105 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1ccc(OCC(F)(F)F)cc1 445511219 ISDRBMSIAKRMJY-UHFFFAOYSA-N 447.207 4.157 5 20 IIBD CCCCCn1nc(-c2nc(Cc3cc(OC)ccc3[N+](=O)[O-])no2)c2ccccc2c1=O 445571949 BJGQEUXUDMCBBQ-UHFFFAOYSA-N 449.467 4.144 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O 446423099 RUSSFLPBCIOEJL-CYBMUJFWSA-N 445.834 4.003 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2nnc(Cc3cccc4ccccc34)o2)c1[N+](=O)[O-] 446774138 TUZORFFWUBFTRT-UHFFFAOYSA-N 438.465 4.139 5 20 IIBD CCn1c(SCCC(=O)c2ccc3c(c2)OCCO3)nnc1-c1ccc([N+](=O)[O-])cc1 447310268 WGCDJPYSMVZGKG-UHFFFAOYSA-N 440.481 4.010 5 20 IIBD C[C@H]1CN(c2cccc3cnccc23)CCN1c1ncc([N+](=O)[O-])cc1Br 447679649 LKXVAHBWGHYZHR-ZDUSSCGKSA-N 428.290 4.016 5 20 IIBD Cc1cccnc1-c1nnc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1C[C@@H]1CCCCO1 461819978 XLCFRYCSJIMUEB-FQEVSTJZSA-N 448.527 4.295 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 462618141 DOSJYAVRUVIDHM-SJORKVTESA-N 433.455 4.160 5 20 IIBD CC1CCN(c2ccc(C(=O)NC3(c4cccc(F)c4)CCOCC3)cc2[N+](=O)[O-])CC1 464563788 PHFQVLUIZUWMOK-UHFFFAOYSA-N 441.503 4.406 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1 466913744 VFMKETFOOIFRCJ-INIZCTEOSA-N 434.378 4.260 5 20 IIBD COc1cc(CN2CCO[C@H](c3cccc(Cl)c3)C2)c([N+](=O)[O-])cc1OC(F)F 467178798 DAGXBMFDFOVQNG-SFHVURJKSA-N 428.819 4.432 5 20 IIBD CC1(C)CCC[C@H]1N(Cc1ccccc1)C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 469539739 KAICYGQJIPPRCA-OAQYLSRUSA-N 449.507 4.469 5 20 IIBD COC(=O)c1nc([C@H]2CCCN2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)sc1C 470992279 HRQYFPYGXNWWBZ-MRXNPFEDSA-N 442.497 4.181 5 20 IIBD CCCOc1cc(NC(=O)Nc2cc([C@@H]3CCCOC3)[nH]n2)c([N+](=O)[O-])cc1OCCC 471171134 ZODPVBYMDCZROJ-CQSZACIVSA-N 447.492 4.434 5 20 IIBD Cn1cnc([N+](=O)[O-])c1CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1 481360366 SSNUBFOUOPVWAZ-UHFFFAOYSA-N 430.877 4.174 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NC3(Cc4cccc(F)c4)CCC3)cc2)c(C)c1[N+](=O)[O-] 482469729 UNVIFKQOKNZSGL-UHFFFAOYSA-N 436.487 4.491 5 20 IIBD CC(C)n1ccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 482781337 LTIORYAOSRFJBQ-UHFFFAOYSA-N 425.411 4.246 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H]2CC[C@@H](c3ccccc3F)C2)ccc1[N+](=O)[O-] 482903868 TVKWFCAKWRIQSV-RADWXHQJSA-N 439.487 4.099 5 20 IIBD Cc1c(C2CCCCC2)noc1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 485525146 ULJAJEKGBNAONR-UHFFFAOYSA-N 442.501 4.471 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N1C[C@H](n2cccn2)Cc2ccccc21 485924915 QPHYAHLZILJLMD-GFCCVEGCSA-N 433.287 4.060 5 20 IIBD CC[C@H](C(=O)N1CCC(NC(=O)c2cccc(SC)c2[N+](=O)[O-])CC1)c1ccccc1 486490735 ULKMVSNQQOXCGP-SFHVURJKSA-N 441.553 4.231 5 20 IIBD CC(C)c1c(NC(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cnn1-c1ccccc1 487749952 DJUBLOVLBBQZAQ-UHFFFAOYSA-N 447.495 4.034 5 20 IIBD CCn1cc([C@H]2C[S@@](=O)CCN2Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cn1 488544343 NKKXNFKCUIEHSK-QTEAWJPNSA-N 448.932 4.030 5 20 IIBD CCn1c(SCCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)nnc1-c1ccc(C)cc1 488895271 HEJPBNOYVAGMBT-UHFFFAOYSA-N 441.513 4.311 5 20 IIBD C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 489861805 QINOYMLTGNGPMV-KBPBESRZSA-N 433.306 4.164 5 20 IIBD COc1c(S(=O)(=O)Nc2ccc(C)cc2Cl)cc(Br)c(C)c1[N+](=O)[O-] 491609373 HBWBYOOFIMNHSC-UHFFFAOYSA-N 449.710 4.437 5 20 IIBD CCC(C)(C)[C@H]1CCc2nc(NC(=O)C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)sc2C1 498112057 PWUIRJXRDJQOBQ-HIFRSBDPSA-N 444.557 4.408 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ccccc1COCc1ccccc1 499161248 LRRSNAOGQRWQEJ-UHFFFAOYSA-N 426.494 4.296 5 20 IIBD CCOc1cc(C(=O)N2CC=C(c3ccccc3OCC)CC2)c([N+](=O)[O-])cc1OC 499292188 RRFAHZGJJDEHIP-UHFFFAOYSA-N 426.469 4.330 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCOC[C@H]2c2nc3ccccc3s2)cc1SC 500654869 QZJVDEPGYRVGJF-HNNXBMFYSA-N 445.522 4.149 5 20 IIBD COc1ccc([C@H]2C[C@H](NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])C2)cc1F 501285302 ROISBZGQYHECDN-JOCQHMNTSA-N 442.365 4.360 5 20 IIBD COc1ccc([C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c2ccccc2OC)cc1 502408569 VKAXNVYEHDXHHH-RUZDIDTESA-N 445.475 4.473 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(-n2nc(C)cc2C)nc1 504077470 SEZGWZXQOZGNIA-UHFFFAOYSA-N 425.514 4.224 5 20 IIBD Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 504110555 MRHWIQFJUVTPEY-MRXNPFEDSA-N 449.511 4.202 5 20 IIBD CCOc1cc(C(=O)NCc2ccnc(OC3CCC(C)CC3)c2)c([N+](=O)[O-])cc1OC 505539016 SQJOGAAVCUBNNF-UHFFFAOYSA-N 443.500 4.285 5 20 IIBD C[C@@H](NC(=O)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)c1ccc(Br)cc1 505637998 OUJDLQXZKCHMBU-CYBMUJFWSA-N 429.274 4.098 5 20 IIBD CN(C)CC1CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 511026176 GLHQFEPJSHWWPF-UHFFFAOYSA-N 430.936 4.274 5 20 IIBD O=C(NCCCOC[C@@H]1CCCO1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 512370445 RDZSOJKXFXIGJA-SFHVURJKSA-N 434.876 4.356 5 20 IIBD COc1ccc(-c2nnc(Sc3ccc([N+](=O)[O-])cc3F)n2C[C@H]2CCCO2)cc1 513100656 BVDMGAGZMDXVCI-MRXNPFEDSA-N 430.461 4.331 5 20 IIBD COC(=O)c1c(C)cccc1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 514874569 VEVPMQFMZPIMJB-UHFFFAOYSA-N 428.388 4.439 5 20 IIBD O=C(Cn1cc(Br)c([N+](=O)[O-])n1)Nc1ccccc1Sc1ccccc1 515605298 XDNKVMRICOGXKS-UHFFFAOYSA-N 433.287 4.344 5 20 IIBD COC(=O)CSCCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 517295364 OCWTXUGMAJPWOH-UHFFFAOYSA-N 440.930 4.035 5 20 IIBD C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 517678895 FXVQYASLGSOSSF-OAHLLOKOSA-N 449.349 4.192 5 20 IIBD O=C(Nc1ccc(OC(F)F)c2ncccc12)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 520638409 ZBSMEXUZXJTFCU-UHFFFAOYSA-N 425.351 4.182 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N(C)Cc2scnc2C)c([N+](=O)[O-])c1 521288403 MAVGDLUDEQTBKT-UHFFFAOYSA-N 446.554 4.211 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)N1c2ccccc2CC[C@H]1C(=O)Nc1ccccc1 524229691 UHACJVCBQABRDD-NRFANRHFSA-N 431.448 4.204 5 20 IIBD CSc1ccccc1CN(C)C(=O)c1cc(I)cc([N+](=O)[O-])c1 525908415 RSIPRBDSJDPGEZ-UHFFFAOYSA-N 442.278 4.194 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3cc(Br)ccc3O)cc2)c(C)c1[N+](=O)[O-] 531253673 AYHBTPMEOAPJSP-UHFFFAOYSA-N 445.273 4.177 5 20 IIBD O=C(O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC(F)(F)F)cc1 531748528 ZWEBLVGHXABVBK-AWEZNQCLSA-N 432.738 4.093 5 20 IIBD COc1cc(-c2noc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2)cc(OC)c1OC 532614790 PGNGMNOJYKZGFF-UHFFFAOYSA-N 425.319 4.356 5 20 IIBD C[C@H]1CSc2ccccc2N(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 532827345 MMSCNXSGXKHXGJ-CQSZACIVSA-N 427.482 4.058 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2csnn2)cc1 534964593 SHBVMQQAYHVYPV-UHFFFAOYSA-N 444.494 4.021 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nnc(C)n1[C@@H]1CCC[C@@H](C)C1 535337791 WOWWSRQHCSDMED-UKRRQHHQSA-N 433.534 4.375 5 20 IIBD O=C(CCN1CCCCC1)Nc1ccc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cc1 535673379 WFGDJJYFGPWWEH-UHFFFAOYSA-N 435.484 4.143 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CN3CCC4(CC3)CCN(Cc3ccccc3)C4)n2)cc1 535679076 FVPYVBGWSPYQEU-UHFFFAOYSA-N 433.512 4.133 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2ccc(COCc3ccccc3)cc2)s1 538743675 ZYBYQQLGYBPQDH-UHFFFAOYSA-N 432.523 4.389 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1 539348281 CPZKDFXVSUIRKE-UHFFFAOYSA-N 445.516 4.223 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 541137555 PKFCSFUCYUXLMX-KRWDZBQOSA-N 428.794 4.410 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccccc2C(=O)c2ccc(F)c(F)c2)cc([N+](=O)[O-])c1 541220693 XACGGMYGZCWZDY-UHFFFAOYSA-N 440.358 4.143 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)[C@@H]2CCCC[C@@H]12 542060103 AAXGFFYHWJSVNR-GQWLDOHISA-N 443.525 4.046 5 20 IIBD CC[C@@H]1Oc2cc([C@H](C)Nc3ncc([N+](=O)[O-])c(C)c3Br)ccc2NC1=O 542508464 TUTVRXHQIICPHH-HZMBPMFUSA-N 435.278 4.343 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 543128332 CDBIEVIKYUUJDG-GFCCVEGCSA-N 448.854 4.419 5 20 IIBD O=[N+]([O-])c1cc(I)cc(-c2nc(-c3cccc4cnccc34)no2)c1 545089288 GSXQJNMIXCLXHF-UHFFFAOYSA-N 444.188 4.465 5 20 IIBD CCOc1cc(C(=O)N(CC)Cc2ccccc2Br)c([N+](=O)[O-])cc1OC 546669231 QLHBXRWWFILVFI-UHFFFAOYSA-N 437.290 4.427 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3ccc(OCc4nnc5n4CCCCC5)cc3)no2)cc1 546945285 PZUSEWATCCDWSN-UHFFFAOYSA-N 432.440 4.209 5 20 IIBD Cc1ccnc(OC2CCN(C(=O)c3cc([N+](=O)[O-])cc(Br)c3C)CC2)c1 551259981 SROMJLBNJHUXLI-UHFFFAOYSA-N 434.290 4.053 5 20 IIBD CCc1ccc([C@H](N[C@@H]2CCCN(C(=O)N3CCCC3)C2)c2ccc([N+](=O)[O-])cc2)o1 552090803 UWFIBDSAIITSMA-XMSQKQJNSA-N 426.517 4.109 5 20 IIBD O=C(N[C@H](c1c[nH]c2ccccc12)C(F)(F)F)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 553486549 VMRKOASTEOHEHN-GOSISDBHSA-N 429.358 4.295 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(C3CCN(c4noc5ccc(Cl)cc45)CC3)n2)nc1 556310141 ZCSXJCXDUUKXCV-UHFFFAOYSA-N 440.847 4.142 5 20 IIBD CC(C)[C@H](NC(=O)c1ccccc1)c1noc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 572418262 NVNGNTWYINKWPA-FQEVSTJZSA-N 435.484 4.372 5 20 IIBD Cc1ccc(C)c(Oc2ccc(CNC(=O)C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)cn2)c1 577570109 QOKRDNNENMQNII-UHFFFAOYSA-N 448.479 4.271 5 20 IIBD O=C(c1ccc(C(=O)N2CCC3(CCC3)CC2)c([N+](=O)[O-])c1)N1CCC2(CCC2)CC1 588022922 AFNBGORVOGHLLN-UHFFFAOYSA-N 425.529 4.407 5 20 IIBD C[C@H](NC(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1)C(F)(F)F 588905725 VFQFDWHUAYZJNP-ZDUSSCGKSA-N 442.463 4.101 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 589413567 AUPBUIIQPOKXOP-UHFFFAOYSA-N 437.427 4.453 5 20 IIBD COc1cc(CCNC(=O)C2(c3cccc(Cl)c3)CCCC2)c([N+](=O)[O-])cc1OC 603637562 FOQOXFBZAFWBDG-UHFFFAOYSA-N 432.904 4.436 5 20 IIBD COc1cc(CCNC(=O)CCn2c3ccccc3c3ccccc32)c([N+](=O)[O-])cc1OC 603733146 WEWRJNPFRGCIPB-UHFFFAOYSA-N 447.491 4.469 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 604038697 HJEXXUJSIWEHMM-UHFFFAOYSA-N 426.281 4.130 5 20 IIBD O=c1c(Cl)c(NCCSCc2ccccc2F)cnn1-c1ccc([N+](=O)[O-])cc1 608830351 FULKAWBWPUVSDL-UHFFFAOYSA-N 434.880 4.279 5 20 IIBD Cc1ccccc1Oc1ccccc1CNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 609307359 IYKMJUJDVFPERU-QGZVFWFLSA-N 433.464 4.130 5 20 IIBD CC1(C)CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C(C)(C)CO1 609646230 LRONUAWTIWNPAK-UHFFFAOYSA-N 443.466 4.246 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 609705693 BKDQJQFLNPYBHJ-GDLZYMKVSA-N 444.534 4.153 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)N[C@H]1CCN(C2CC2)C1 609817866 QCLBYSYRVFGLDE-AWEZNQCLSA-N 448.882 4.216 5 20 IIBD Cc1ccc(OCc2ccc(C(=O)N3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)o2)c(C)c1 609836407 JGYJPNQQTYCAGO-KRWDZBQOSA-N 436.468 4.105 5 20 IIBD CCOC(=O)[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1F 610088601 VXFJIKXFNSQLHG-DIFFPNOSSA-N 425.254 4.451 5 20 IIBD O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)s1 610137643 SRLRFKVJGKDOOH-KNQAVFIVSA-N 437.565 4.296 5 20 IIBD Cc1cn(-c2ccccc2)nc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 610335669 AZJRRZZHKLPQLF-UHFFFAOYSA-N 427.269 4.197 5 20 IIBD CCOC(=O)c1cnn(-c2ccc(C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)cc2)c1C 610889653 IQOQVIXWOUZPRA-UHFFFAOYSA-N 448.479 4.070 5 20 IIBD Cc1occc1CN(C)CC(=O)Nc1cc(N(C)Cc2ccoc2C)ccc1[N+](=O)[O-] 610927505 YZFJZZLSLDNOKV-UHFFFAOYSA-N 426.473 4.105 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(Cc1ccccc1)C[C@H](O)C(F)(F)F 611577625 LGUDLTICUBSETD-HNNXBMFYSA-N 436.308 4.179 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccc(OCc2ccccn2)cc1 614860334 QYHAIHZHKIDNPC-UHFFFAOYSA-N 449.510 4.445 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 727382748 NXNQYTRQMRLRPF-KSSFIOAISA-N 432.521 4.077 5 20 IIBD COc1ccc(CC(=O)OCC(=O)c2cc(C)n(Cc3cccs3)c2C)cc1[N+](=O)[O-] 727882843 JCACDSUMNNOBQE-UHFFFAOYSA-N 442.493 4.100 5 20 IIBD COc1ccc(NC(=O)c2ccc(I)c([N+](=O)[O-])c2)c2cccnc12 728151919 HEWMPWKQQMUFJZ-UHFFFAOYSA-N 449.204 4.009 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)c1ccc2c(c1)CC(=O)N2C 728252145 QYCQYHNMDHDZLW-OAHLLOKOSA-N 431.448 4.397 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)CCNC(=O)c1ccc2ccccc2c1 729117183 GTCQRYHTHPYTNY-UHFFFAOYSA-N 436.464 4.399 5 20 IIBD COc1ccc([C@H]2NC(=O)N(Cc3cccs3)C(C)=C2C(=O)OC(C)C)cc1[N+](=O)[O-] 730203895 YXWYQWBZCCSKNA-LJQANCHMSA-N 445.497 4.157 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl 732299243 XUHUZKAVNAQDDD-BJOHPYRUSA-N 433.675 4.172 5 20 IIBD COc1ccc(C(=O)N2CCC[C@@H](C(=O)OCc3ccccc3[N+](=O)[O-])C2)c2ccccc12 732660394 QPBHJBRZTUCNQC-QGZVFWFLSA-N 448.475 4.352 5 20 IIBD Cn1cc(/C=C\C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)cn1 735456965 AVPMSFHSLBEIDZ-CLTKARDFSA-N 430.823 4.243 5 20 IIBD O=C(O[C@H]1CCN(CC(F)(F)F)C1=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 735704012 OFRFRPNUZXFIPB-HNNXBMFYSA-N 440.399 4.066 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc([N+](=O)[O-])c1 736195070 JFQWGKNQEYTWQI-UHFFFAOYSA-N 428.404 4.244 5 20 IIBD COc1c(C)cnc(COC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C 736766364 MNWIKBVJFKEEOX-UHFFFAOYSA-N 427.379 4.179 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1ccc(OCC(F)(F)F)c(C)c1 738422295 BBXRUVZHSWZRME-LBPRGKRZSA-N 427.379 4.292 5 20 IIBD Cc1oc(-c2ccccc2F)nc1C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 738671429 KMLGQUMAWWNVDV-UHFFFAOYSA-N 433.779 4.146 5 20 IIBD COCC[C@@H](Cc1cccc(Br)c1)C(=O)OCc1cc(F)ccc1[N+](=O)[O-] 741183256 WZUVFRPMCNZHHS-AWEZNQCLSA-N 440.265 4.435 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 742626363 WGZSUBXFYRMQBN-HXUWFJFHSA-N 447.532 4.073 5 20 IIBD C[C@H](CCc1ccccc1F)C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 744116873 NFXGLXABDMJJLX-AEFFLSMTSA-N 428.460 4.151 5 20 IIBD Cc1c(F)cccc1NC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 744809231 DPCBBPBKGWGEQF-UHFFFAOYSA-N 430.413 4.062 5 20 IIBD CC(C)C(=O)Nc1ccc(Cl)c(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 745186583 LSCRHAYRCBIKID-LBPRGKRZSA-N 433.848 4.027 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CC(C)(C)CNC(=O)OC(C)(C)C 747842537 GZIXHFFMYDFSBY-ZDUSSCGKSA-N 442.944 4.058 5 20 IIBD Cc1ccc(Cl)cc1NC(=O)COC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 747956427 SPCJXJSQDXQFJK-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD C[C@H](OC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 748909911 SOZNZYUJQZDVSU-MZPVMMEZSA-N 433.258 4.031 5 20 IIBD C[C@H](OC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 748910183 KXYZMNLCSKYJDK-CQDKDKBSSA-N 433.258 4.031 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cc(Cl)ccc1OC(F)F 748915892 CUIMKSXGEZOAME-UHFFFAOYSA-N 425.731 4.257 5 20 IIBD COc1ccc(CCC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cc1F 750660787 CSWJWYGIIXTWEE-UHFFFAOYSA-N 437.265 4.023 5 20 IIBD O=C(Cc1ccc(Br)c(F)c1)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 752817341 KSPKQEZVFGXQJZ-UHFFFAOYSA-N 435.205 4.437 5 20 IIBD CC(C)(C)OC(=O)N1CCc2c(NC(=O)NCCOc3ccc([N+](=O)[O-])cc3)cccc21 753897968 JJRGPNOTUIIZGV-UHFFFAOYSA-N 442.472 4.093 5 20 IIBD COC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)OC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F 754981344 CINMFFKCBNTFLW-CQSZACIVSA-N 449.740 4.347 5 20 IIBD C[C@@H](C(=O)OCC(=O)N(Cc1ccco1)c1ccccc1)c1ccc([N+](=O)[O-])cc1F 755059512 BLXQLBITGGFAKU-OAHLLOKOSA-N 426.400 4.207 5 20 IIBD CN1C(=O)CC[C@@H](COC(=O)CCc2cccc([N+](=O)[O-])c2)[C@H]1c1cccc(Cl)c1 756289484 HEQHQFPMGQSWKR-HTAPYJJXSA-N 430.888 4.334 5 20 IIBD CC(C)OC(=O)NCc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2Br)cc1 758379081 FGHWBSHRYIOOQW-UHFFFAOYSA-N 436.262 4.244 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](O)c2cccc(OCc3ccccc3)c2)c1 761602447 XVMCFPULKBGHBV-JOCHJYFZSA-N 438.505 4.359 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)cc1 763810477 MSICPIBFNPHXBA-LBPRGKRZSA-N 438.889 4.171 5 20 IIBD Cc1nc([C@@H](C)OC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)oc1-c1ccc(Cl)cc1 763843838 CMKCQXGYWDAUOG-CYBMUJFWSA-N 443.843 4.246 5 20 IIBD COc1cccc(C(=O)Nc2sc3c(c2C(N)=O)-c2ccccc2CCC3)c1[N+](=O)[O-] 766608873 LLMMWYQNIRKLSX-UHFFFAOYSA-N 437.477 4.172 5 20 IIBD CNC(=O)c1cc(Oc2cccc(OC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)c2)ccn1 766709382 AUPFMWBXBIMHRG-UHFFFAOYSA-N 435.436 4.025 5 20 IIBD O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1ccc2c(c1)nc(O)n2CC(F)(F)F 767474925 BMYQNKWFFHWLDJ-UHFFFAOYSA-N 429.738 4.223 5 20 IIBD O=C(O[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 768095369 YDWZASXIRPMSCC-MRXNPFEDSA-N 440.399 4.066 5 20 IIBD CC(=O)[C@H](Cc1cccc(Cl)c1F)OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 768368135 DZLFZRRFDHQXRV-FQEVSTJZSA-N 448.878 4.347 5 20 IIBD Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2c(Br)cccc2[N+](=O)[O-])o1 768982937 NOHQJXHJTUJOBU-SFHVURJKSA-N 429.274 4.348 5 20 IIBD CC(C)(C)OC(=O)NC[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C1CCCC1 769226301 YIPUIJNJWIECIM-QFIPXVFZSA-N 449.551 4.495 5 20 IIBD C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 770004757 WGPLMOZAICDYOG-INIZCTEOSA-N 432.908 4.003 5 20 IIBD COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C 770283464 TVLNMHJCZSGRGV-UHFFFAOYSA-N 446.403 4.074 5 20 IIBD COC[C@@H](OC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1nccs1 774683616 UVVKQHBWBZXNNJ-CYBMUJFWSA-N 443.268 4.088 5 20 IIBD Cc1ncc(C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)c(C)n1 777195288 LYAXJIALTJKAPD-IBGZPJMESA-N 440.843 4.192 5 20 IIBD CC(C)[C@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCN1C(=O)OC(C)(C)C 781815197 JEBJLZZVDITWKT-JOCHJYFZSA-N 449.551 4.399 5 20 IIBD CC[C@@H](c1ccccc1)N(CC(=O)OC)C(=O)c1cccc([N+](=O)[O-])c1Br 782125702 ZKKAGQSHJIQOGX-HNNXBMFYSA-N 435.274 4.124 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCc3c(cccc3OC)C2)c1=S 782290027 FBSHVBQEFDYHPK-UHFFFAOYSA-N 425.514 4.034 5 20 IIBD O=C(Nc1cccc2ccc(O)cc12)c1cc([N+](=O)[O-])ccc1I 782744392 VMAVQIDXTZHNFD-UHFFFAOYSA-N 434.189 4.311 5 20 IIBD O=C(N[C@@H](C(=O)OCc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1)OCc1ccccc1 783744304 MNBBXXQSJFQNII-OAQYLSRUSA-N 438.411 4.445 5 20 IIBD CC(=O)c1cc(Br)ccc1NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] 783876373 UAWAPEJVAUFYKW-UHFFFAOYSA-N 433.667 4.014 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 785381245 MFZKRCUDGUFNTG-JTQLQIEISA-N 429.376 4.319 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)c1ccc(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)cc1 786788799 PRUXAQGKFBBRIF-ZDUSSCGKSA-N 435.502 4.328 5 20 IIBD Cc1cnc(COC(=O)c2nc(C(C)C)n(-c3ccccc3Cl)n2)c(C)c1[N+](=O)[O-] 789440404 NHTVQNCHSNYUII-UHFFFAOYSA-N 429.864 4.321 5 20 IIBD CC(C)(C)[C@H]1C[C@@H](NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCO1 790798575 CRLCXSQJEFQFFX-YVEFUNNKSA-N 440.338 4.019 5 20 IIBD C[C@]12CCN(C(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C[C@H]1C2(Cl)Cl 790848142 RYMBXLPAGAZEID-OCCSQVGLSA-N 426.222 4.339 5 20 IIBD COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)NCc2cccc([N+](=O)[O-])c2C)cc1 791016064 KLQGODPGCSUODM-UHFFFAOYSA-N 437.427 4.233 5 20 IIBD C[C@@H](OC(=O)COc1ccccc1Cc1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] 791189153 VVXYTBRYFXOENO-QGZVFWFLSA-N 434.448 4.135 5 20 IIBD O=C(NC[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1)OCc1ccccc1 794029031 BGTYBPDDLOQMRS-INIZCTEOSA-N 431.876 4.027 5 20 IIBD CC(C)c1ccc(C(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)cc1[N+](=O)[O-] 794039137 SRIKTUKBWXIIPK-IBGZPJMESA-N 439.512 4.497 5 20 IIBD C[C@H]1C[C@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c2ccsc2S1(=O)=O 794195063 WDVNJIWKEXFOTR-MADCSZMMSA-N 435.310 4.000 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)O[C@H](C)C(=O)Nc1cccc(Cl)c1Cl 795712304 TZQJTWNVOOIDIY-SNVBAGLBSA-N 427.240 4.484 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)O[C@H]2CCCOc3c(F)cccc32)cc1[N+](=O)[O-] 797094703 IXXJXKFYTZFVLB-INIZCTEOSA-N 444.444 4.084 5 20 IIBD O=C(NC[C@H](O)c1c(Cl)cccc1Cl)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 798300243 YLIOOFZWCVBJGW-INIZCTEOSA-N 432.263 4.427 5 20 IIBD Cn1cc(CN2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 799739172 RJWXKMNADBJQKQ-KRWDZBQOSA-N 443.548 4.122 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Br)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 803533497 VVHRORVWLBZQEQ-NRFANRHFSA-N 444.329 4.096 5 20 IIBD COc1ccccc1O[C@@H]1CCCN(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 803605149 JJWTVAKSZRKUAS-CQSZACIVSA-N 435.274 4.050 5 20 IIBD O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 807789712 ISBGPNGKZYAHBL-FQEVSTJZSA-N 426.394 4.164 5 20 IIBD C[C@H](OC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 811376893 WCFAXIGBXHYYGO-ZETCQYMHSA-N 446.174 4.133 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 811551597 CZJFHQAAJMZWBJ-QAQDUYKDSA-N 433.549 4.320 5 20 IIBD CCOc1ccc([C@@H](O)C2CCN([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1 812864606 RPCFDBDTGVNOEV-UZUQRXQVSA-N 441.528 4.075 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 813529170 ULRXJEGNUMPAQF-LBPRGKRZSA-N 432.304 4.421 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 814141203 NXQOETGHPQGNFW-PKOBYXMFSA-N 431.533 4.069 5 20 IIBD O=[N+]([O-])c1cnc(NCc2cccnc2-n2cnc3ccccc32)c(Br)c1 820586585 MWAJLPZLRXSLML-UHFFFAOYSA-N 425.246 4.098 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)cc1 912518444 YVWUOEMYMULIRU-UHFFFAOYSA-N 443.456 4.284 5 20 IIBD CSc1nc2ccc(NC(=O)c3nnn(-c4cccc([N+](=O)[O-])c4)c3C)cc2s1 913081166 COIZZBHNOCMUQC-UHFFFAOYSA-N 426.483 4.068 5 20 IIBD CCC(C)(C)NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1 915249046 DDLUCHCPTGKOFV-CQSZACIVSA-N 430.457 4.246 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCC1(c2cccc(Br)c2)CCOCC1 917792464 VXNAZIVUQMLOOK-TWGQIWQCSA-N 445.313 4.235 5 20 IIBD CCOc1cccc(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)c1 918633511 OIULXCFJJCHUFH-IBGZPJMESA-N 426.469 4.235 5 20 IIBD COc1ccc(COC(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)cc1[N+](=O)[O-] 919158823 XRBXUYFQUFEWNQ-OAHLLOKOSA-N 427.482 4.173 5 20 IIBD C[C@H](OC(=O)CCc1ccc(OC(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 919270791 OQDSUNNIJFODER-NSHDSACASA-N 442.802 4.353 5 20 IIBD CSc1cccc(NC(=O)[C@H](C)OC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 920778982 XEYIYIVDYCSDCB-RYUDHWBXSA-N 438.889 4.308 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)/C=C\c2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])c1 1317745430 HSHDHDNTZDGSKN-UUSYTGMJSA-N 439.251 4.494 5 20 IIBD O=[N+]([O-])c1ccccc1OCc1nnc(CCc2nc(-c3ccc(Cl)cc3)no2)o1 1323962715 KMCIRIZVTYDNQS-UHFFFAOYSA-N 427.804 4.045 5 20 IIBD COc1cc(C(=O)N2CCCN3CCC[C@H]3C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 1324875152 UGSRHJHUPQZFHS-KRWDZBQOSA-N 445.903 4.359 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1Br 1325786484 SIUXGOWIZRNKRU-GOSISDBHSA-N 448.317 4.277 5 20 IIBD Cc1cc(C)cc(OCc2nnc([C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)o2)c1 1326081580 NQSPBHHTYFAOET-FQEVSTJZSA-N 436.468 4.459 5 20 IIBD Cc1nn(C)c(-c2nnc(-c3cn(-c4ccccc4)nc3-c3ccccc3)o2)c1[N+](=O)[O-] 1341355141 JHYHOHOLBQTFGM-UHFFFAOYSA-N 427.424 4.206 5 20 IIBD C/C(=C\c1cccs1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C2 1792534371 MPAMRKHJSKKCDG-CXWYDIKBSA-N 443.500 4.151 5 20 IIBD CC(C)(C)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)[nH]n1 1816756344 HNFRQJHDKIUHGT-IBGZPJMESA-N 441.532 4.379 5 20 IIBD CCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)[nH]n1 1821939480 PFFCKJUZZDNJCM-KRWDZBQOSA-N 431.468 4.199 5 20 IIBD Cc1ccc(C)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)[nH]n2)c1 1823141819 VUGBQBROPWUMTL-QGZVFWFLSA-N 437.456 4.147 5 20 IIBD O=C(C1CCCCC1)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1824274701 LSIGGLVVRRSUTM-FKVRIVCVSA-N 443.544 4.401 5 20 IIBD CCOC(=O)c1cc(C(=O)O[C@H](C(=O)Nc2ccccc2)c2ccccc2)cc([N+](=O)[O-])c1 12482255 QZLQPPQZBZBQCT-NRFANRHFSA-N 448.431 4.308 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 15410825 KLRPPKTUHJQBQW-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD O=C(OCc1nc2ccccc2c2ccccc12)c1ccc(S(=O)(=O)NC2CC2)cc1 17177262 LFJINQVYMCDBBS-UHFFFAOYSA-N 432.501 4.186 5 20 IIBD CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](C)Oc1cccnc1[N+](=O)[O-] 20973277 RDFBZOPCKZLYQC-CYBMUJFWSA-N 441.465 4.301 5 20 IIBD CCOc1ccc(-c2nc(COC(=O)c3ccc(OC)c([N+](=O)[O-])c3)cs2)cc1OC 22141167 UIKADSCCLILEMJ-UHFFFAOYSA-N 444.465 4.491 5 20 IIBD CC(C)CCSc1ccc(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)cc1[N+](=O)[O-] 22185012 QQDWCYCZULNDNP-UHFFFAOYSA-N 446.554 4.303 5 20 IIBD O=C(Nc1ccc(Cn2cncn2)cc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 24627368 JQIPQKQTEYDHPX-UHFFFAOYSA-N 428.452 4.099 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cccc(OCc2ccc(F)cc2)c1 26787494 PXZZXQWUHMQPMV-UHFFFAOYSA-N 425.416 4.372 5 20 IIBD O=C(c1sc2cc(Cl)ccc2c1Cl)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 33111050 YWLOJYUALPXUPU-UHFFFAOYSA-N 437.308 4.474 5 20 IIBD Cc1ccnc(-n2c(SCCOc3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)c1 107756922 ORCIFFZKMDJJGH-UHFFFAOYSA-N 434.477 4.168 5 20 IIBD Cc1occc1C(=O)Nc1cc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)ccc1F 109274967 GIELXITYJPUQJY-UHFFFAOYSA-N 449.398 4.326 5 20 IIBD CCOc1cc(CN[C@H]2CCCc3occc32)ccc1OCCn1c([N+](=O)[O-])cnc1C 236911477 DMUTWVOWTGRBEN-IBGZPJMESA-N 440.500 4.338 5 20 IIBD CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 248108889 JOCBCWRLTJOZAC-UHFFFAOYSA-N 433.493 4.363 5 20 IIBD COc1cccc(C2CCN(c3cnn(-c4ccc([N+](=O)[O-])cc4)c(=O)c3Cl)CC2)c1 301174713 LCBNNPCHTNILBH-UHFFFAOYSA-N 440.887 4.187 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@H]3CCO[C@H](C4CC4)C3)c([N+](=O)[O-])c2)c(C)c1 302191757 ZIIZSRBPFUIEJG-JTSKRJEESA-N 445.541 4.382 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 428555821 ZTSGUJXANZXCFB-IBGZPJMESA-N 429.542 4.306 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](N[C@@H]1Cc2cccc(O)c2C1)c1ccccc1 429316896 MOWIAXDFLZPIEE-ZHRRBRCNSA-N 437.883 4.391 5 20 IIBD CC[C@@H]1CCCC[C@@H]1N(C)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C 430337520 GFXNGBMUDKLHOQ-DOMZBBRYSA-N 426.311 4.031 5 20 IIBD CC(C)(NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccc([N+](=O)[O-])cc1 430523364 ZGWCGBOYYGJAFZ-UHFFFAOYSA-N 429.432 4.061 5 20 IIBD COc1ccc([C@H](NC(=O)COc2c(Br)cccc2[N+](=O)[O-])C(C)C)cc1 431216109 LORJJEWIFPRNCX-GOSISDBHSA-N 437.290 4.258 5 20 IIBD O=C(O)C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC(F)(F)F)cc1 431427928 AYBOTLLECJECIX-OAHLLOKOSA-N 446.765 4.022 5 20 IIBD COc1cc2c(cc1OC)CN(C(=O)CCCNc1c(Cl)cccc1[N+](=O)[O-])CC2 432330178 YFFKOJJDKFWCGF-UHFFFAOYSA-N 433.892 4.042 5 20 IIBD COc1cc(C(=O)N2CCC(OCC3CCCC3)CC2)c([N+](=O)[O-])cc1OC(F)F 434157364 MUMOCPRRJDEUKN-UHFFFAOYSA-N 428.432 4.016 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)[C@H]1CC(=O)N(Cc2ccco2)C1 435449546 SQDLKZJXHZYKDB-ZDUSSCGKSA-N 443.506 4.388 5 20 IIBD COCCOc1ccc([C@H](C)NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1OC 436066577 LITWDKPTJDJNKY-INIZCTEOSA-N 446.503 4.206 5 20 IIBD COc1ccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1N1CCCCC1=O 437372460 LPMRKEVYYKMUEN-UHFFFAOYSA-N 438.484 4.317 5 20 IIBD CC(C)(C)NC(=O)c1cccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 437782505 WDIMFSYQYOMHNZ-UHFFFAOYSA-N 440.500 4.198 5 20 IIBD CC(C)C1CCC(N2CCN([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)CC1 438563163 UMUJVEVWXIITGX-WWDZGPRUSA-N 436.984 4.408 5 20 IIBD COc1c(Cl)cccc1NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 438791192 MGTGELJANTXZAR-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c1 438937332 PMELJMSUNDMVJV-HNNXBMFYSA-N 433.530 4.188 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCCC(F)(F)F 439701699 AQDDXIZIXDOQOL-UHFFFAOYSA-N 433.408 4.159 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 441263427 DXRBTBRZEWFOGI-ZUOKHONESA-N 431.880 4.169 5 20 IIBD CN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 441829112 VZBLDZLAABRNGE-MSOLQXFVSA-N 435.402 4.347 5 20 IIBD Cn1c(C(=O)N(Cc2ccncc2)c2ccc(F)c(Br)c2)ccc1[N+](=O)[O-] 442420918 PXNWMMKMRXPDQC-UHFFFAOYSA-N 433.237 4.077 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 443948578 NKTWWWFAIHGCOQ-MRXNPFEDSA-N 439.516 4.351 5 20 IIBD O=C(Nc1cccc(Nc2ccccc2)c1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 444271618 URYPOLZEQORJON-UHFFFAOYSA-N 430.420 4.244 5 20 IIBD C[C@@H](NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)[C@@H]1CCCN(C2CCC2)C1 444304057 OPNMANODXOBBNG-HUUCEWRRSA-N 439.506 4.342 5 20 IIBD COc1ccc(OC(F)F)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1 445815982 RARKOQMSISYZJE-UHFFFAOYSA-N 431.189 4.149 5 20 IIBD CCN(C(=O)c1cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1Cl)C(C)C 447257633 PGLWULMKTUETEZ-UHFFFAOYSA-N 439.921 4.228 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnn1-c1ccc(Br)cn1 448545350 ZEVIVLUIXGSINF-CQSZACIVSA-N 444.289 4.145 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 460232007 LMASKMHNYZKROR-VWLOTQADSA-N 446.555 4.366 5 20 IIBD CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 462483706 GGMRCTLDQKJJNU-IEBWSBKVSA-N 426.517 4.090 5 20 IIBD CS(=O)(=O)c1cccc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)c2ccc(Cl)cc2)c1 464368810 VPLGAAYOBNOMQC-FQEVSTJZSA-N 444.896 4.171 5 20 IIBD CC(C)n1nc(-c2ccccc2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 464398418 ANKFYAZBDYDTSS-UHFFFAOYSA-N 437.481 4.388 5 20 IIBD Cc1ccc(-n2nc(C(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)c3c2CCC3)cc1 464664287 ZTQKGXUUFLTDLY-UHFFFAOYSA-N 446.507 4.261 5 20 IIBD Cc1sc(S(=O)(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)cc1[N+](=O)[O-] 466975407 XZAJECONGPLTGI-UHFFFAOYSA-N 448.960 4.422 5 20 IIBD CC(C)(C)OC(=O)[C@@]12CCC[C@H]1CN(C(=O)c1cccc3c(=O)c4ccccc4[nH]c13)C2 467803634 SGIGSXBQLWMXCL-YHAMSUFESA-N 432.520 4.265 5 20 IIBD O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 468677968 SXKPDXSWHOUMRX-QGZVFWFLSA-N 427.354 4.200 5 20 IIBD Cc1cc(Sc2nc3ccccc3c(=O)n2CCN(C(C)C)C(C)C)ncc1[N+](=O)[O-] 470863843 XHEVKDVKCQVBOW-UHFFFAOYSA-N 441.557 4.278 5 20 IIBD CCOc1ccc(-n2c(Sc3cc(C)c([N+](=O)[O-])cn3)nnc2-c2cccnc2)cc1 470868232 YLSKWOIOHHLBHE-UHFFFAOYSA-N 434.481 4.491 5 20 IIBD O=C(c1ccccc1)c1ccc(NCc2nc(COc3ccccc3)n[nH]2)c([N+](=O)[O-])c1 472668358 IETKPLTUKXDLBE-UHFFFAOYSA-N 429.436 4.135 5 20 IIBD Cc1c(C(=O)N[C@@H](C)c2nc(-c3ccc(Br)cc3)no2)cccc1[N+](=O)[O-] 472677010 KGFRWAYVBLXFKQ-NSHDSACASA-N 431.246 4.207 5 20 IIBD C[C@@H](NC(=O)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 474116373 SPDQIPQXZDCIOW-HWPZZCPQSA-N 431.798 4.361 5 20 IIBD CCc1cnc(CN(C)C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)s1 474459617 QSVNUNLPBKSQBT-CQSZACIVSA-N 425.514 4.454 5 20 IIBD COc1cc(CCNC(=O)c2cccc(N[C@@H](C)C(C)C)c2C)c([N+](=O)[O-])cc1OC 474710593 SBLDPPZWDVEISB-INIZCTEOSA-N 429.517 4.349 5 20 IIBD C[C@H](NCCCCc1ccc([N+](=O)[O-])cc1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl 479406644 JMGSTUJTNQCBJQ-LBPRGKRZSA-N 446.356 4.223 5 20 IIBD O=C(NCCCOc1ccc(C(F)(F)F)cn1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 479796603 MQPZSAHFXAAGMF-UHFFFAOYSA-N 438.406 4.152 5 20 IIBD COc1cc(C(=O)Nc2c(F)cc(C)cc2I)cc([N+](=O)[O-])c1C 480587875 YKIBYOIWNPFJJO-UHFFFAOYSA-N 444.200 4.216 5 20 IIBD O=c1c2ccc(Cl)cc2nc(SCCn2ccc([N+](=O)[O-])n2)n1C1CCCCC1 481270383 VKZVEJMHWMJLPU-UHFFFAOYSA-N 433.921 4.452 5 20 IIBD COC(=O)c1cc(OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)ccc1[N+](=O)[O-] 481942530 KBPGTXDLISBITL-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD CC[C@H](Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC)C(=O)Nc1ccc(OC)cc1 489398528 STZHGJRLXXLRLY-SFHVURJKSA-N 441.513 4.391 5 20 IIBD O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 490721302 QXPLAVOQELIBQU-UHFFFAOYSA-N 444.272 4.106 5 20 IIBD CS(=O)(=O)c1ccc(N(Cc2cc(Br)ccc2F)C2CC2)c([N+](=O)[O-])c1 498976930 LQESTKSSPZKQSK-UHFFFAOYSA-N 443.294 4.069 5 20 IIBD CC(C)n1c([C@@H]2CCCN2S(=O)(=O)CCc2ccccc2[N+](=O)[O-])nc2ccccc21 500936792 BLUQKYYZIOFVPK-NRFANRHFSA-N 442.541 4.235 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCCc1nc2ccccc2s1 501963547 KVMIQBCLIVONRM-UHFFFAOYSA-N 446.554 4.034 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 502149011 XOJVGVYHAPFPCD-AWEZNQCLSA-N 435.415 4.081 5 20 IIBD CCOC(=O)c1cc(C(=O)N[C@H](C)c2cc3cccc(OCC)c3o2)cc([N+](=O)[O-])c1 503158068 BRWYZQQPXNERNO-CYBMUJFWSA-N 426.425 4.407 5 20 IIBD NC(=O)c1ccc(SCC(=O)NC2(c3ccc(Cl)cc3)CCCCC2)c([N+](=O)[O-])c1 505167067 GBNADKFNKPRWKZ-UHFFFAOYSA-N 447.944 4.415 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cc2ccccc2s1 506536553 YDZKONWQFHFNRG-UHFFFAOYSA-N 444.534 4.437 5 20 IIBD CCSc1ccc([C@H](C)NC(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 508560174 IVMVHHAZJKIEMY-AWEZNQCLSA-N 433.530 4.327 5 20 IIBD CC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)cc1C 509267278 ATEOCWWNHYLDSI-UHFFFAOYSA-N 438.221 4.271 5 20 IIBD O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1O)C1CCN(c2ccc3cccc(O)c3n2)CC1 509487137 CBMMNPXHBLPHFD-UHFFFAOYSA-N 442.859 4.063 5 20 IIBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCOc2c(-c3ccccc3)cccc21 509637321 GFHHRFWNLXKUCK-LJQANCHMSA-N 440.477 4.073 5 20 IIBD COc1ccc(C(=O)NCC(=O)N[C@@H](C)c2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-] 513349058 QYQWTYWRNLGHLS-INIZCTEOSA-N 449.463 4.003 5 20 IIBD COc1cc(C(=O)N[C@H](C)Cc2ccsc2)c([N+](=O)[O-])cc1OCc1cscn1 517695570 OEYKVIIOGZOARD-GFCCVEGCSA-N 433.511 4.061 5 20 IIBD O=[N+]([O-])c1cc(I)cc(COc2cccc(Oc3ncccn3)c2)c1 517784507 HZKCFUGZWVKVMO-UHFFFAOYSA-N 449.204 4.361 5 20 IIBD CC[C@@H](NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)c1nnc2n1CCCCC2 520220094 WONQPEFDPLYSTD-GOSISDBHSA-N 425.489 4.422 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCC[C@H](c4nncn4C(C)C)C3)cc2[N+](=O)[O-])CC1 520354143 BQIDAHKXNIHFSK-IBGZPJMESA-N 440.548 4.023 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 521012803 XPNKEQWAJWDVLB-QHCPKHFHSA-N 435.480 4.260 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)c1ccccc1Oc1ccccc1 522516247 GYOPXNJQUCHVQU-HNNXBMFYSA-N 435.436 4.212 5 20 IIBD COC(=O)C[C@@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccc(SC)cc1 524461113 JOYUUJKJANXMOZ-SCLBCKFNSA-N 434.539 4.218 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@H](C)c2ccc(OC(C)C)cc2)ccc1[N+](=O)[O-] 524688360 KEBZDTUHKQDBGC-VGSWGCGISA-N 439.512 4.172 5 20 IIBD Cc1ccc(NCCCNC(=O)N(Cc2cccs2)C[C@H]2CCCO2)c([N+](=O)[O-])c1 525321530 IOUJSIYFCNCLLH-QGZVFWFLSA-N 432.546 4.158 5 20 IIBD CC(C)[C@@H](NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1Cl 525394570 WCDBHJXEURNIMQ-HXUWFJFHSA-N 444.919 4.113 5 20 IIBD CCO[C@@H]1C[C@@H](Nc2ccc(C(=O)c3ccccc3C(=O)OC)cc2[N+](=O)[O-])C12CCC2 525642383 OCUBWNPNLDQMDV-NHCUHLMSSA-N 438.480 4.372 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)Nc1cnc(-c2ccccc2)nc1)c1ccccc1[N+](=O)[O-] 530625868 YGROBVLGCFMWFI-LJQANCHMSA-N 449.467 4.256 5 20 IIBD COc1ccc(-c2nnc(NC(=O)c3cc(SC)c(OC)cc3[N+](=O)[O-])s2)cc1 534238625 NMDRWBYKWMWDOF-UHFFFAOYSA-N 432.483 4.105 5 20 IIBD O=C(N[C@H](Cc1ccc(Cl)cc1)c1ccccn1)c1cc2c(cc1[N+](=O)[O-])OCO2 535068729 WOZRZICSDBHUEL-QGZVFWFLSA-N 425.828 4.086 5 20 IIBD CO[C@@H](c1ccc(F)cc1)[C@@H](C)Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl 536618532 DVUKTVITGDJDMD-CWTRNNRKSA-N 432.839 4.121 5 20 IIBD CC[C@H](C)NS(=O)(=O)Cc1cccc(N[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 537524573 ITMPVPMXOZMNRW-HRAATJIYSA-N 431.558 4.246 5 20 IIBD CC(C)C[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)Nc1nccs1 537670786 QAGCEVPJAQEROO-MRXNPFEDSA-N 431.543 4.318 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc2c(cc1OC(F)F)OCO2 539358058 NWGXWPQHCJZGLF-UHFFFAOYSA-N 440.424 4.355 5 20 IIBD CC[C@@H](CSc1ccccc1[N+](=O)[O-])Nc1cccc(CN2CCC[C@H]2C(N)=O)c1 539651843 WLRDWGCBHACAIB-PXNSSMCTSA-N 428.558 4.027 5 20 IIBD CC(C)C[C@@H]1C[C@H](NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CCO1 540760813 RAPJZPCXTVGWHU-BHIYHBOVSA-N 426.517 4.486 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN[C@@H](CCO)c3ccccc3Br)o2)c1 542884181 UNOAJSOIVXPMJR-SFHVURJKSA-N 446.301 4.268 5 20 IIBD COc1cc(F)c([C@H](C)NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 543120441 GHKQFIUOOIIZRY-JTQLQIEISA-N 428.869 4.374 5 20 IIBD O=C(CN[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] 543448174 XOYVKWPBUMVPKL-FQEVSTJZSA-N 433.443 4.053 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N3CCC(CCCO)CC3)c([N+](=O)[O-])c2)c(C)c1 543895987 KPYSOSJTPNEHGM-UHFFFAOYSA-N 447.557 4.001 5 20 IIBD Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NCCn1ccc([N+](=O)[O-])n1 544461639 PAVZIUXVNHOCQY-LLVKDONJSA-N 436.335 4.337 5 20 IIBD O=C(Nc1cccc(OCC(F)F)n1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 548734474 OUFDBORMTSGNOT-UHFFFAOYSA-N 431.345 4.251 5 20 IIBD O=C(NCc1ccncc1OCc1ccccc1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 554405472 QJGYSLGFXMVKHE-UHFFFAOYSA-N 444.394 4.492 5 20 IIBD CCCOc1cc(NC(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)c([N+](=O)[O-])cc1OCCC 558238119 ZHJDEXKVTQFTSN-FUHWJXTLSA-N 434.537 4.263 5 20 IIBD Cn1ccc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)cc2c1=O 560840870 RCZKCSDYSPVFER-UHFFFAOYSA-N 428.448 4.311 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C 581876798 VPGVAGIFSMZQBQ-HXUWFJFHSA-N 442.541 4.341 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCc1ccncc1OC[C@H]1CCOC1 584740697 HZQRXCDQLPMRFQ-NSHDSACASA-N 448.348 4.066 5 20 IIBD CNC(=O)CC[C@H]1CCCCN1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 588057042 FWFVLCMWELVDSI-QGZVFWFLSA-N 427.526 4.267 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(C[C@H](C)c2ccccc2)o1 594639305 XMBOIXMTSOWUSL-ZDUSSCGKSA-N 428.470 4.063 5 20 IIBD CCOc1cc(NC(=O)N(C)Cc2cc(OC)c(OC)cc2C)c([N+](=O)[O-])cc1OCC 603650796 BHDANWIDQYNMEH-UHFFFAOYSA-N 447.488 4.382 5 20 IIBD C[C@H](c1ccccc1)N1C[C@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)CC1=O 603742002 KFTPTJZSCSOTOL-CRAIPNDOSA-N 449.429 4.095 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1OCCc1ccccc1 603975721 LOFIFZGUFXMEPD-UHFFFAOYSA-N 428.466 4.026 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCC[C@H]1c1ccccc1Cl 603997782 MTQUOPRNKIOCRP-KRWDZBQOSA-N 429.860 4.300 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1nc(-c2ccccc2F)cs1 604201293 BWTUTISSPLTFFO-UHFFFAOYSA-N 442.428 4.184 5 20 IIBD Cc1nc(-c2ccc(CNC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)cc2)cs1 604297896 FSMABDCVQBDFKH-UHFFFAOYSA-N 433.493 4.357 5 20 IIBD O=[N+]([O-])c1cc(CN[C@@H]2CCCc3c2cnn3CCO)ccc1Oc1ccccc1Cl 608782061 OIHGNDUJNNTSTH-GOSISDBHSA-N 442.903 4.397 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCc3ccc(C(=O)N(C)C)cc3)c([N+](=O)[O-])c2)cc1 608972388 FHOFUNXHQXQRCS-UHFFFAOYSA-N 432.480 4.469 5 20 IIBD Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 609077398 RAVWYRDLFQJIHT-KRWDZBQOSA-N 433.464 4.412 5 20 IIBD O=C(O)c1ccccc1C1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 682187770 NACVLMGEUBYRDQ-UHFFFAOYSA-N 440.499 4.259 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 725797648 DMYPEJWNPDBCRM-VQTJNVASSA-N 447.532 4.215 5 20 IIBD CCc1ccc([C@@H](C)NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1 725985322 KQVQLEOCQFOXBB-OLZOCXBDSA-N 449.301 4.342 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNC[C@H](O)c2cccc(F)c2)cc1 726607202 SGLNDSOUPWTBJO-QHCPKHFHSA-N 432.455 4.410 5 20 IIBD COC(=O)c1coc(COC(=O)c2cc([N+](=O)[O-])ccc2Sc2nc(C)cs2)c1 726636807 XWSBWTUYXFCWAR-UHFFFAOYSA-N 434.451 4.248 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)CC1 727397530 WGJIDUODJLCHOU-JOCHJYFZSA-N 445.466 4.323 5 20 IIBD O=C(CCc1nc(-c2ccccn2)no1)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 728166224 WQYXPTGQIFSJIE-UHFFFAOYSA-N 427.848 4.069 5 20 IIBD COc1cc(CCNC(=O)N[C@@H](C)c2csc3ccccc23)c([N+](=O)[O-])cc1OC 730028839 BTRUUUZFZZNWKG-ZDUSSCGKSA-N 429.498 4.430 5 20 IIBD CC(=O)c1ccc(N2CCC(OC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)CC2)cc1 730414541 UFMGOLAKMKEQDY-UHFFFAOYSA-N 437.496 4.223 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ccc(-c2ccccc2)cc1F 731059405 VJNNBNNVMNGGRV-UHFFFAOYSA-N 427.819 4.423 5 20 IIBD CN(Cc1ccccc1)c1ccc(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)cc1 731457245 LFXYXDORRHRIIG-UHFFFAOYSA-N 428.452 4.064 5 20 IIBD O=C(O[C@H]1CCN(c2ccccc2Cl)C1=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 732331840 AMOBLXFPQHRAKJ-KRWDZBQOSA-N 443.868 4.334 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1F 735573749 RATSZNQWZKZNGX-UHFFFAOYSA-N 434.424 4.411 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)OCCNC(=O)c3cccnc3)cc2[N+](=O)[O-])cc1 735908582 OZDZYKMINSRJFZ-UHFFFAOYSA-N 437.477 4.036 5 20 IIBD CCCN1C(=S)N[C@H](c2sc(C)nc2C)C(C(=O)Nc2cccc([N+](=O)[O-])c2)=C1C 736539761 UOPDRVNWUIXBSU-KRWDZBQOSA-N 445.570 4.222 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1cccc(OC(F)F)c1 738590447 JFJZEKZABRKLSE-UHFFFAOYSA-N 434.395 4.226 5 20 IIBD CC(C)[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)N1C[C@@H](C)C[C@@H](C)C1 740423610 TUQGDNTWLBXEQM-IIYDPXPESA-N 441.322 4.043 5 20 IIBD CC[C@H](NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])c1cc(F)ccc1F 740897096 LXHWEWNWSTXUBW-ZDUSSCGKSA-N 435.246 4.065 5 20 IIBD CCO[C@@H](C)C(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 744372008 OCJAMWGIIRIKSW-JTQLQIEISA-N 427.240 4.484 5 20 IIBD CC(C)c1ccc(C(=O)[C@@H](C)OC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 745029862 QHCBODKMCMZAPQ-PBHICJAKSA-N 444.509 4.199 5 20 IIBD Cc1cc(C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)ccc1NC(=O)CC(C)C 745294837 UGCRYHGENHHXDU-UHFFFAOYSA-N 438.440 4.295 5 20 IIBD O=C(COC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1)Nc1ccc([N+](=O)[O-])cc1Cl 745745163 YAYNOXFPYCURLG-OAHLLOKOSA-N 447.658 4.160 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 746264988 QCGUJTVORMPWIJ-IXDGSTSKSA-N 436.867 4.269 5 20 IIBD O=C(Nc1ncn(CC(=O)N2CCCCCC2)n1)c1c2ccccc2cc2ccccc12 746521359 QYGYJMMVBSKEBR-UHFFFAOYSA-N 427.508 4.239 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2SC(F)F)c(Br)c1 746590727 DSOVHAUZBMYAAV-UHFFFAOYSA-N 439.259 4.473 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N1CC[C@H]([C@@H]2CCOC2)C1 750260753 HBOPMEGLJUDSPE-FVJLSDCUSA-N 429.904 4.286 5 20 IIBD Cc1nc(Cl)ccc1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 751782861 OUECTPOTTMBEDN-VIFPVBQESA-N 431.754 4.154 5 20 IIBD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nc(-c2ccc(Cl)cc2)n1 751861049 SBDVZCKMNZBWFQ-CYBMUJFWSA-N 440.843 4.198 5 20 IIBD CCOc1cc(COC(=O)[C@@H]2CCCN(C(=O)Nc3cccc(C)c3)C2)ccc1[N+](=O)[O-] 755534627 DKBUAFSDEKQLKI-GOSISDBHSA-N 441.484 4.289 5 20 IIBD Cc1nc(COc2cccc(C(=O)O[C@@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)c2)cs1 759955570 XZQCQESPWJNSMM-RBUKOAKNSA-N 442.497 4.476 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3cnc([C@H]4CCCO4)s3)CC2)ccc1[N+](=O)[O-] 760995614 YWZMEVVKQIVCLF-QGZVFWFLSA-N 447.513 4.127 5 20 IIBD O=C(COC(=O)c1ccc(Cl)cc1Br)Nc1cc([N+](=O)[O-])ccc1Cl 761279723 GVBORLMHHSHFHP-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD O=C(COC(=O)c1ccc(Cl)cc1Br)Nc1cc(Cl)ccc1[N+](=O)[O-] 761285796 YZNMFSNRGZCTJN-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD CS(=O)(=O)c1cc(C(=O)OC(c2ccccc2F)c2ccccc2F)cc([N+](=O)[O-])c1 761372468 OPUDDTRXOWMLCJ-UHFFFAOYSA-N 447.415 4.223 5 20 IIBD O=[N+]([O-])c1ccc(OCc2nc(-c3cc(Cl)ccc3O[C@H]3CCOC3)no2)cc1F 762303685 KZGJHNMMVXWACB-ZDUSSCGKSA-N 435.795 4.184 5 20 IIBD C[C@H](OC(=O)c1c[nH]c2ccc(F)cc12)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 764174185 VMDMQXMPZQOPFO-VIFPVBQESA-N 439.321 4.418 5 20 IIBD Cc1cc(CN(CC(C)C)C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])nc(N2CCCCC2)n1 764558638 MEDVEHFYQLKJDE-UHFFFAOYSA-N 447.486 4.260 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)OC(C)(C)C)C1 766243419 JHTZQFDWUXKWPR-GVDBMIGSSA-N 432.521 4.369 5 20 IIBD Cc1ccc(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(OC[C@H]2CCCO2)c1 766575744 KVCZLUJWWQKFAJ-HSZRJFAPSA-N 425.529 4.220 5 20 IIBD COC(=O)c1cc(C(=O)Oc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)cc([N+](=O)[O-])c1 767062004 IAOHRECGIJQTJV-ZDUSSCGKSA-N 444.440 4.186 5 20 IIBD CN(CCC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1)C(=O)OC(C)(C)C 769764874 PXELPBKFEOPHGG-UHFFFAOYSA-N 431.489 4.450 5 20 IIBD CCSCCCc1noc(-c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)n1 771666189 JHALTCHBQQOKMX-UHFFFAOYSA-N 449.510 4.098 5 20 IIBD CC[C@@H](OC(=O)c1sc(Br)cc1[N+](=O)[O-])C(=O)Nc1ccc(OC)cc1 773604526 VOVJVWFUXPXTKF-GFCCVEGCSA-N 443.275 4.002 5 20 IIBD COc1ccc2nc(Cl)c(C(=O)OCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cc2c1 775016562 JCVQJDAZXJNFHO-UHFFFAOYSA-N 440.799 4.212 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)C 775488805 NZSCNYWYEJFCFA-INIZCTEOSA-N 425.551 4.374 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 777321435 NDOQOGVLUJHERQ-JOCHJYFZSA-N 445.472 4.330 5 20 IIBD COc1cc(OC)c(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc1Br 777841933 AQCFJVAKFFGXKI-UHFFFAOYSA-N 431.189 4.105 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])C1 778707366 QJTCJZMQJUBBNK-HRAATJIYSA-N 441.484 4.270 5 20 IIBD Cc1cc(F)c2nc(O)cc(C(=O)O[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2c1 778874589 SFCOHSJKNJEJTJ-SNVBAGLBSA-N 447.806 4.134 5 20 IIBD CC(C)(C)Sc1cc(C(=O)OC[C@@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])ccn1 779209040 SECCCNWCVPEAEG-INIZCTEOSA-N 443.525 4.342 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 780683191 XCYAASQHULHTOR-KRWDZBQOSA-N 432.521 4.058 5 20 IIBD Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781636578 SPRCMWPUKHBWOT-RBBKRZOGSA-N 445.479 4.157 5 20 IIBD CC1=C(C(=O)N(C)C)[C@@H](c2ccc([N+](=O)[O-])cc2Cl)NC(=S)N1c1ccccc1 783928179 MZXYSUNIGYDIMV-GOSISDBHSA-N 430.917 4.046 5 20 IIBD Cc1nn(Cc2ccc(C(=O)O[C@@H](C)c3noc(-c4ccccc4)n3)cc2)c(C)c1[N+](=O)[O-] 784654577 ZKGPNUHTVBQCQK-INIZCTEOSA-N 447.451 4.424 5 20 IIBD COc1ccc(OCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] 790512966 FEZLSUDPDBCPCA-INIZCTEOSA-N 449.463 4.112 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 791289869 FDYYRPXEMAQPQP-RMKNXTFCSA-N 448.401 4.003 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1c1noc(-c2cc([N+](=O)[O-])ccc2N2CCCC2)n1 795769206 UYNVYHRWKCXPEO-QGZVFWFLSA-N 429.477 4.317 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1 798523370 JJIFHQFWFWBACM-OPAMFIHVSA-N 431.920 4.044 5 20 IIBD O=[N+]([O-])c1cccc(Cn2c(Br)nc(Br)c2Br)c1 799176370 PIDOPCPKZPUSKA-UHFFFAOYSA-N 439.889 4.127 5 20 IIBD CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 799396136 MAXMQURPDUQDJP-ZDUSSCGKSA-N 426.901 4.407 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CCOc2cccc(F)c2C1 801478429 RFRMCPPQQOHUFP-UHFFFAOYSA-N 429.629 4.185 5 20 IIBD Cc1nc(C(=O)OCc2c(F)cc([N+](=O)[O-])cc2F)nn1-c1c(Cl)cccc1Cl 803336776 FWNJDFMOBYFGAT-UHFFFAOYSA-N 443.193 4.426 5 20 IIBD CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CC(=O)OCc1c(F)cc([N+](=O)[O-])cc1F)C2 803377567 GGQAJYCYGKNZTH-KBPBESRZSA-N 440.443 4.484 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc(Cl)c(SC(=O)N(C)C)c2)cc([N+](=O)[O-])c1 805438266 DNNJXYAANHMMIB-UHFFFAOYSA-N 437.861 4.061 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccccc1)C[C@@H](O)c1cnn(CC)c1 810319663 JWOSRPKVQSOAPQ-JOCHJYFZSA-N 437.500 4.141 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NC[C@@H](O)c2ccc(Cl)cc2)cc1[N+](=O)[O-])c1ccccn1 817061905 DLECGEYEOMSSOL-SPLOXXLWSA-N 440.887 4.280 5 20 IIBD CC(C)(CCCNC(=O)OC(C)(C)C)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 817212304 KOGZGOHGLYCZNK-UHFFFAOYSA-N 431.892 4.130 5 20 IIBD Cc1cc(C)c(OCC(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)c(C)c1 864242659 PNVOEZCSICMAHI-UHFFFAOYSA-N 438.484 4.386 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)ccc1[N+](=O)[O-] 916690464 TYZRCKITVQPJSS-GOSISDBHSA-N 441.440 4.053 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H]1CCc1ccccc1 917658319 DUJHKDSDBXGKIA-MRXNPFEDSA-N 439.331 4.143 5 20 IIBD CC1=C(C(=O)N(C)C)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1c1ccc(F)c(Cl)c1 918113751 NXPQPYWNWUBNKV-SFHVURJKSA-N 432.839 4.020 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCc1ccccc1N1CCCCC1 920243044 ASDWIVZNDZXGON-UHFFFAOYSA-N 439.468 4.017 5 20 IIBD O=C(CCOc1cccc(Br)c1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 920974332 ZVWOOTBKOIBEGY-UHFFFAOYSA-N 431.246 4.155 5 20 IIBD COc1ccccc1N1C[C@H](C(=O)OCc2nc3ccccc3c3ccccc23)CC1=O 921252106 LUKUVWFJEDECBG-QGZVFWFLSA-N 426.472 4.493 5 20 IIBD COc1cc(/C=C/C(=O)NCc2cccc([N+](=O)[O-])c2)ccc1OCc1c(C)noc1C 921288608 PQZBHOAZFGEJNQ-CSKARUKUSA-N 437.452 4.117 5 20 IIBD C[C@H](CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)N(C)C(=O)OC(C)(C)C 1116048677 UWGKYOAAGMZMCX-CYBMUJFWSA-N 434.518 4.094 5 20 IIBD CC(C)[C@@]1(CO)CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C1 1117646783 QBKUDZLJQCPJDY-QFIPXVFZSA-N 431.920 4.341 5 20 IIBD O=C([C@@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1)N1Cc2ccc([N+](=O)[O-])cc2C1 1319208966 PXJAKVUYNFARKU-VNAOOCAESA-N 439.899 4.185 5 20 IIBD Nc1c(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)cc(Br)cc1[N+](=O)[O-] 1321298399 GNDQEGQPUVRUSD-UHFFFAOYSA-N 436.596 4.447 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1-c1nnc(-c2cccc([N+](=O)[O-])c2)o1 1328070108 KRTNUYPUHAYTSB-OAHLLOKOSA-N 442.497 4.183 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(C2(NC(=O)C3=COCC3)CCC2)cc1 1792319358 NJZSPJCWIRMICT-IZZDOVSWSA-N 433.464 4.046 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@H]1C1CC1)c1cc2cc([N+](=O)[O-])ccc2s1 1792963525 DWXPRZNMCCVTOE-MGGVOPSTSA-N 439.537 4.107 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1824347148 QFFIALDVGHGPTE-JXFKEZNVSA-N 433.524 4.403 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCC(=O)C12CC3CC(CC(C3)C1)C2 10722664 KKDBLTKEDAEMLB-UHFFFAOYSA-N 429.516 4.483 5 20 IIBD Cn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1cccc(Cl)c1 14068690 SFKJYJUWECCIMY-UHFFFAOYSA-N 438.296 4.428 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(NC(=O)C2CC2)cc1 14361690 RVTXYUVUDLXINF-UHFFFAOYSA-N 436.390 4.403 5 20 IIBD O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc([N+](=O)[O-])cc1 15437228 JKYSLTBBVWYFMD-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1C1CC1 17270019 BRXLILGJGGSTFE-LLVKDONJSA-N 445.526 4.378 5 20 IIBD CN(CCOc1ccc(Br)cc1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 18047402 ODALMKMGZUYLIG-UHFFFAOYSA-N 448.317 4.109 5 20 IIBD CS(=O)(=O)c1ccc(NCc2cn(-c3ccccc3)nc2-c2ccccc2)c([N+](=O)[O-])c1 22813450 RUCNXQYSSINXTP-UHFFFAOYSA-N 448.504 4.463 5 20 IIBD CC[C@@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 23156619 BXIOACTWESOHRW-GOSISDBHSA-N 431.514 4.109 5 20 IIBD C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(NC(=O)C2CC2)cc1 27294893 WHKMERNUCJZHRV-INIZCTEOSA-N 436.512 4.037 5 20 IIBD C[C@H]1CCCN(Cc2csc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)C1 28677607 GQFGIBSWWAVWIF-HNNXBMFYSA-N 429.546 4.136 5 20 IIBD COC(=O)[C@@H](C)NC(=O)c1ccc(N[C@@H](C)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 29070388 NLGFJYGDTIZARB-NWDGAFQWSA-N 439.390 4.078 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)cc1C 60443555 PLTYIHPFKCYOFO-UHFFFAOYSA-N 445.541 4.193 5 20 IIBD C[C@H]1CC[C@@H](C)N1[C@H]1CCCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 64735818 RUMCRHYUMDMMTC-ZNMIVQPWSA-N 429.439 4.013 5 20 IIBD COc1ccc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1NC(C)=O 64800974 DELZZEUKFBDZNU-CQSZACIVSA-N 449.467 4.382 5 20 IIBD Cn1ccnc1COc1ccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 64918473 RKAMIRLYXFIAFL-UHFFFAOYSA-N 435.465 4.283 5 20 IIBD Cc1cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(N)c([N+](=O)[O-])c1 72097632 BHOLZZVGZLAXRU-UHFFFAOYSA-N 430.508 4.033 5 20 IIBD O=C(NCc1nccn1C(F)F)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 303071101 OXQFIUOGHONWBS-UHFFFAOYSA-N 435.818 4.382 5 20 IIBD Cn1cc(-c2ccccc2CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cn1 425946774 PYFBXUGHIWGIAO-UHFFFAOYSA-N 433.390 4.014 5 20 IIBD O=C(O)C[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cnn(-c2ccccc2)c1 426761528 BGTKDXSAGSUKCS-HXUWFJFHSA-N 449.492 4.210 5 20 IIBD Cc1c(NC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc(Br)cc1[N+](=O)[O-] 431224311 NLFXDPHAURHNET-ZFWWWQNUSA-N 446.301 4.214 5 20 IIBD CN(Cc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 432331454 NAYWMVBDGRNXMJ-UHFFFAOYSA-N 426.775 4.227 5 20 IIBD CN1CCC(N(Cc2ccccc2)C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 438713042 IZQCZYZGUVXKPZ-UHFFFAOYSA-N 431.920 4.140 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@@H](OC1CCOCC1)c1ccccc1 439883439 UERVUVMXHSRDNB-OPAMFIHVSA-N 443.500 4.440 5 20 IIBD O=C(CSc1nnnn1C1CCCC1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 440603051 POBOSXMZTYJYQV-UHFFFAOYSA-N 438.513 4.022 5 20 IIBD Cc1ccc(OCc2ccccc2)c(NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)c1 443193009 UGFRTXAZWBOULY-KRWDZBQOSA-N 433.464 4.239 5 20 IIBD CC1CCC(N2CCN(C(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)CC2)CC1 444034828 VCTXYAKCFFTDSD-UHFFFAOYSA-N 439.506 4.296 5 20 IIBD O=C(NCc1cccc(N2CC=CC2)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444094706 FHULJYSHQYMHEN-UHFFFAOYSA-N 431.442 4.266 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CC[C@H]2[C@H](CCCN2C2CC2)C1 444245141 KGLITDOBXHFSDB-SZNDQCEHSA-N 437.490 4.048 5 20 IIBD CCc1[nH]nc(C(=O)NC2(c3noc(C4CCCCC4)n3)CCCCCC2)c1[N+](=O)[O-] 444340384 TZXIGTIBDGZRES-UHFFFAOYSA-N 430.509 4.291 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)NCc1ccccc1COCc1ccccc1 444843411 BDLVWOYNXQFTEV-UHFFFAOYSA-N 445.479 4.187 5 20 IIBD Cc1cc(-c2ncccc2NC(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cs1 446052952 KGGHJJMHZLQEEQ-UHFFFAOYSA-N 438.509 4.104 5 20 IIBD CCn1cc(S(=O)(=O)N(c2ccccc2)[C@H](C)c2ccc(Cl)cc2)c([N+](=O)[O-])n1 446961005 SWWXXOFPQILVGF-CQSZACIVSA-N 434.905 4.421 5 20 IIBD C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1OCCCO 461113443 MSWSOSUJLYAOTB-LBPRGKRZSA-N 438.278 4.001 5 20 IIBD C[C@H](c1ccsc1)N1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 462244737 GKYZGVSDUMZDBF-GFCCVEGCSA-N 426.445 4.168 5 20 IIBD O=C(CCc1nc2cc(Br)ccc2s1)NCCc1ccc([N+](=O)[O-])cc1 463166944 BDZWLQSQLOXKRJ-UHFFFAOYSA-N 434.315 4.259 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCc3cc(Br)ccc32)c2ncccc12 463528437 USLNBLZSWPQDRR-UHFFFAOYSA-N 448.298 4.047 5 20 IIBD Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 464054120 UISQLCMGLXKRCN-WMZOPIPTSA-N 429.904 4.081 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncc(Cc3ccccc3F)s2)c2ncccc12 464422290 ZDTSOGVTURKDAE-UHFFFAOYSA-N 444.469 4.130 5 20 IIBD O=C([C@@H]1C[C@@H]1c1ccccc1OC(F)F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464644993 UPXGWRQVEDVRDR-RTBURBONSA-N 432.423 4.370 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(OCc2ccccc2F)cc1 468752974 AGSZOIVZYWZXQD-LJQANCHMSA-N 441.463 4.184 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 468785802 BGUJFMVFRSIHLM-HNNXBMFYSA-N 448.508 4.441 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CC[C@]3(C2)OCc2ccccc23)cc1[N+](=O)[O-])c1ccccn1 471597828 RGPDLEABWZSMQD-SSOJOUAXSA-N 444.491 4.435 5 20 IIBD Cc1ccc(CNC(=O)C2CCN([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cc1 477049414 NOGYDLQYEINIOT-KRWDZBQOSA-N 449.511 4.043 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)Nc2cc(F)cc(F)c2)cc1[N+](=O)[O-] 477903633 CXUUBBGERWDRQE-UHFFFAOYSA-N 425.391 4.422 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCO[C@H](c2ccc(F)cc2Cl)C1 479296819 RERHUHWNYAODSS-INIZCTEOSA-N 443.656 4.364 5 20 IIBD CCCC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 479405453 ICXWGVPFUFUSQH-UHFFFAOYSA-N 432.285 4.441 5 20 IIBD O=C(Nc1ccc(I)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 480381199 VXQCDLGTSGJLLN-UHFFFAOYSA-N 437.237 4.396 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cccc(Cl)c2Br)cc1[N+](=O)[O-] 483869125 IFQFEFWUJNFBHO-JTQLQIEISA-N 440.681 4.135 5 20 IIBD COc1cc([C@@H]2Nc3ccc(Cl)cc3C(=O)N2C)c([N+](=O)[O-])cc1OCC(F)F 484942438 ZQAMHNKKZLBLNK-QGZVFWFLSA-N 427.791 4.097 5 20 IIBD Cc1ccc([C@H](C)NC(=O)c2nnn(Cc3ccc(C(F)(F)F)cc3)c2C)cc1[N+](=O)[O-] 485739737 BMWIFUBBIZECEM-ZDUSSCGKSA-N 447.417 4.361 5 20 IIBD COC(=O)c1cc(NC(=O)Cc2cc(Cl)ccc2Br)c(C)c([N+](=O)[O-])c1 485955954 ONCXVCSDIMHRPJ-UHFFFAOYSA-N 441.665 4.287 5 20 IIBD C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCC[C@@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 486726549 XJAKSCXVZHZVAB-WTNAPCKOSA-N 435.524 4.038 5 20 IIBD O=C(CSc1nnc(Cc2cccs2)o1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 488764589 KMDZKXPQJMXPKK-UHFFFAOYSA-N 444.416 4.380 5 20 IIBD CN(C)C(=O)c1ccnc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c1 489751200 GWDBQXBXDNUGRE-UHFFFAOYSA-N 445.273 4.326 5 20 IIBD CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC 493386532 OVTWKGPPLSIDKY-UHFFFAOYSA-N 447.282 4.029 5 20 IIBD CC[C@@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1OCC(=O)N(C)C 494508596 IXNMVLVKFMCGRO-GOSISDBHSA-N 439.434 4.322 5 20 IIBD O=C(NCCn1cc([N+](=O)[O-])cn1)NCc1ccccc1-c1ccc(Cl)cc1Cl 495053758 PLPGWWBCHXXRAE-UHFFFAOYSA-N 434.283 4.265 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCCO)N1CCC(c2nc3ccccc3s2)CC1 498069658 KGLGHBIKXKVPQM-UHFFFAOYSA-N 443.550 4.309 5 20 IIBD CCCN(CC)C(=O)c1ccc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 498140187 KZNIWRTZSFQBPK-JOCHJYFZSA-N 427.526 4.355 5 20 IIBD COC(=O)[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])Cc1ccc2ccccc2c1 498625026 CLLMVKAGJHHCAC-KRWDZBQOSA-N 426.856 4.163 5 20 IIBD CCc1nc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)nn1-c1c(Cl)cccc1Cl 499271073 HMCIRTFVEWLZHJ-UHFFFAOYSA-N 432.267 4.248 5 20 IIBD CC(C)(C)C(=O)N1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 499895689 BCAFMEXLFBXERF-UHFFFAOYSA-N 445.903 4.371 5 20 IIBD CO[C@@H]1Cc2ccccc2N(C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 500284515 DIGIVLPSRAQTRH-CQSZACIVSA-N 426.416 4.310 5 20 IIBD O=C(Nc1ccc(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1)c1ccc(F)cc1 502257212 MWHUQYRHRNIZID-UHFFFAOYSA-N 432.411 4.398 5 20 IIBD COc1cc(CNc2cc(C)n(CCCOc3ccc(F)cc3)n2)c([N+](=O)[O-])cc1O 503291822 QLUHRJLUBAGDSI-UHFFFAOYSA-N 430.436 4.034 5 20 IIBD CC(C)CCn1c(=O)c2ccccc2n2c(SCc3c(F)cccc3[N+](=O)[O-])nnc12 504555527 ZWQAPUUCXDATOS-UHFFFAOYSA-N 441.488 4.430 5 20 IIBD CCOc1ccc(Br)cc1CN(C(=O)COc1ccccc1[N+](=O)[O-])C1CC1 504782677 SYFQDGHPKANXOZ-UHFFFAOYSA-N 449.301 4.326 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1 505748565 YBPZYMADEVXMEW-INIZCTEOSA-N 443.573 4.435 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)Nc1cccc(OCCc2ccccc2)c1 506821994 HDZHHOJZOQBKEV-UHFFFAOYSA-N 433.464 4.410 5 20 IIBD COc1ccc(CN(c2ccncc2)S(=O)(=O)c2c([N+](=O)[O-])ccc(C)c2C)cc1 508356867 ZLWBELINVWCHAO-UHFFFAOYSA-N 427.482 4.011 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N(Cc3ccco3)C[C@H]3CCCO3)cc2[N+](=O)[O-])C1 511585237 AOYMYTGDSZSIQP-LVCYWYKZSA-N 441.528 4.492 5 20 IIBD Cc1nccnc1CCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 511687880 GESGEEWXECXOSX-UHFFFAOYSA-N 428.901 4.470 5 20 IIBD O=c1c2sc(-c3ccccc3)cc2ncn1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 514903414 GJEISIXFVXGWLR-UHFFFAOYSA-N 431.433 4.132 5 20 IIBD C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 515215294 YACNMAWHJWOBSE-VIFPVBQESA-N 431.189 4.365 5 20 IIBD O=C(Cc1coc(-c2cccs2)n1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 518509203 OWBDECPOOLGKNL-UHFFFAOYSA-N 440.403 4.101 5 20 IIBD CCc1cccc2c(CCNC(=O)CSCc3ccc(OC)c([N+](=O)[O-])c3)c[nH]c12 520349628 HPVXZTPSLQMFKN-UHFFFAOYSA-N 427.526 4.239 5 20 IIBD COc1ccc(CNC(=O)Nc2cc(Cl)cc(Br)c2OC)cc1[N+](=O)[O-] 520595770 XVJVYIQYPGFINN-UHFFFAOYSA-N 444.669 4.350 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 525326718 LZOFNBXVBQOZKY-UHFFFAOYSA-N 443.809 4.345 5 20 IIBD Cc1ccc(C(=O)Nc2cccc(CNC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)c2)cc1 536127117 HWDHELJXZYNPJP-UHFFFAOYSA-N 442.475 4.496 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(C(=O)NC(C)(C)C)CC1 537398595 NCVCLRIDKUHGIK-UHFFFAOYSA-N 436.578 4.045 5 20 IIBD COc1ccccc1N1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1 537584470 GVVMIZSGNQWSRY-INIZCTEOSA-N 429.542 4.360 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCc2sc(-c3csc(C)n3)cc2C1 537899404 AGJJLVIKKRXSAT-UHFFFAOYSA-N 444.538 4.094 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 538271990 ZKHOUVUECVEWHR-UHFFFAOYSA-N 429.542 4.304 5 20 IIBD NS(=O)(=O)c1c(N[C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] 538510211 SSSULUCPEOZQLK-ZIAGYGMSSA-N 429.420 4.009 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H](CC(=O)N(C)C)c2cc(Cl)ccc21 539843004 OAAHGNPCSIZDTL-OAHLLOKOSA-N 429.904 4.396 5 20 IIBD CCOc1ccc(NC(=O)CNc2cc(C)n(-c3cccc(Cl)c3)n2)c([N+](=O)[O-])c1 540736054 CJHSENBKTNICCX-UHFFFAOYSA-N 429.864 4.192 5 20 IIBD Cc1cccc([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3I)C2)c1 541374937 SLOXYEHKJYRRFM-AWEZNQCLSA-N 436.249 4.138 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] 542279201 NXKROLKFDFGRKW-FUHWJXTLSA-N 427.526 4.459 5 20 IIBD C[C@H](C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1)c1ccc([N+](=O)[O-])cc1F 542606747 ORRZCWLQULUGAS-SGTLLEGYSA-N 437.265 4.200 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1C 543277724 JAKPRSOHOIMNDG-INIZCTEOSA-N 440.500 4.248 5 20 IIBD Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 544314708 KZXHROVIFANRMK-UHFFFAOYSA-N 448.483 4.185 5 20 IIBD CSc1cccc([C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)c2ccc(F)c(F)c2)c1 544736430 FLRZUFCSMZDDQA-GOSISDBHSA-N 430.436 4.092 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1nc([C@H]2OCCc3ccccc32)no1 545718402 LJNSQQRVKOSBCT-SFHVURJKSA-N 434.374 4.313 5 20 IIBD CCN(Cc1ccccc1Br)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 545962659 IRYAVHSMRQVZME-UHFFFAOYSA-N 429.274 4.205 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@H](n2cccn2)Cc2ccccc21 550654846 JNCWCEKNTHSSDD-MRXNPFEDSA-N 441.285 4.306 5 20 IIBD Cn1ccnc1[C@H](NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])cc1 552038081 LTGBJVBJGFPPCR-JOCHJYFZSA-N 439.947 4.325 5 20 IIBD Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc([N+](=O)[O-])cc4F)CC3)c2c1C 553605447 CTBKGKICYFNYAN-UHFFFAOYSA-N 429.477 4.211 5 20 IIBD O=C(Cc1noc(Cn2c3ccccc3c(=O)c3ccccc32)n1)Nc1ccc(Cl)cc1 554060827 RIQHNOBLKXOQKV-UHFFFAOYSA-N 444.878 4.421 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1OCCc2sccc21 554205689 RCVPKOFHAKBMTA-HWPZZCPQSA-N 425.304 4.160 5 20 IIBD CN1CCC(N(Cc2ccccc2Br)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 554927053 ZSYWYPFAQXBOHG-UHFFFAOYSA-N 447.333 4.486 5 20 IIBD CCc1[nH]nc(C(=O)Nc2ccc(OC(F)F)c(-c3ccc(OC)cc3)c2)c1[N+](=O)[O-] 555074129 WWXROOAQGJOSOX-UHFFFAOYSA-N 432.383 4.410 5 20 IIBD CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 558319275 KLLUBYXPAHIAGA-QXAKKESOSA-N 439.537 4.123 5 20 IIBD CCOCCO[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 560654805 DUJJDIKKZMZQGM-HNNXBMFYSA-N 439.306 4.245 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O 560700088 AVHXTMBZBLESIK-FPRZBMBHSA-N 425.323 4.067 5 20 IIBD CCCN(CCN1CCCC1)C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 561202390 ZWRXMXJNCNKOFQ-GOSISDBHSA-N 425.533 4.111 5 20 IIBD C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1 566671162 RLYHTTPRPANPEQ-SFQUDFHCSA-N 434.496 4.157 5 20 IIBD CC[C@H](c1cccc(OC)c1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 570480496 SJYVNRPLUBPCLO-MRXNPFEDSA-N 432.420 4.394 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(CS(=O)(=O)C(C)(C)C)cc1 583650315 WKAOLBNPRHUZNS-UHFFFAOYSA-N 433.530 4.015 5 20 IIBD COC(=O)C[C@@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(OC(F)(F)F)cc1 583908740 HHMRENLDRVLDAZ-SJKOYZFVSA-N 440.374 4.018 5 20 IIBD COc1cccc([C@@H](C)c2noc([C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)c1 589112711 UVUMOFICQIWKKR-FOIQADDNSA-N 436.468 4.424 5 20 IIBD CCCCCOc1ccc([C@H](C)NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1OC 603773155 XHJUBLVTIGQPMQ-AWEZNQCLSA-N 430.457 4.392 5 20 IIBD CCN(CCC(=O)OC)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 603934916 CAVZUHBBAHXNEM-UHFFFAOYSA-N 436.848 4.074 5 20 IIBD O=C(Nc1ccnn1[C@@H]1CCCc2ccccc21)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 604567502 JNXOTCHZUXVGNR-OAQYLSRUSA-N 428.452 4.155 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CCC[C@H]2C[C@@H]2C[C@H]3CC[C@H]2C3)cc1[N+](=O)[O-] 608880314 CMCAMMNFDONLJB-LAQRGFTBSA-N 441.557 4.305 5 20 IIBD COc1ccc([C@H]2CCCN2C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 609722238 LINPPRGUMQNFMD-QGZVFWFLSA-N 434.876 4.398 5 20 IIBD C[C@@H](CCN(C)C)NC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 609810900 UUJICBXEYYCWJW-ZDUSSCGKSA-N 438.887 4.319 5 20 IIBD C[C@@H]1c2c(F)cccc2CCN1C(=O)c1ccc([N+](=O)[O-])cc1I 609978775 LUYQKELAQAOJAD-SNVBAGLBSA-N 440.212 4.098 5 20 IIBD O=C(NCc1ccnc(OCc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1Br 610046330 WADSQRLVAAPSMU-UHFFFAOYSA-N 442.269 4.261 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC(N2CCc3ccccc3C2)CC1 610062093 MLBQQVKBLKBZHL-UHFFFAOYSA-N 444.329 4.020 5 20 IIBD CCN(c1ccccc1)c1ccc(CNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)cc1 610281188 PAXDBMARWITBPM-UHFFFAOYSA-N 426.498 4.012 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Br)cc2)nn1 610668041 AJYKSGBROADKPS-UHFFFAOYSA-N 443.257 4.429 5 20 IIBD CC1(C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H]1c1ccccc1 610956643 ZALQSDPADPONGD-INIZCTEOSA-N 425.304 4.129 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(-c3nc(C4C[C@@H]5CC[C@H](C4)N5C)no3)cc2[N+](=O)[O-])C1 612954992 POARHECCKLSMGE-ZLTBNTPESA-N 425.533 4.467 5 20 IIBD CN(CCCCCc1cc(-c2ccccc2)no1)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 725783134 SMIKCCAIYRJKMR-UHFFFAOYSA-N 436.468 4.460 5 20 IIBD CCc1cc(N2CCCN(C(=O)Oc3ccccc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 725790713 ASIDAMSRHZJZHB-UHFFFAOYSA-N 447.495 4.325 5 20 IIBD Cc1cc(NC(=O)c2sc(N3CCCC3)nc2Cl)n(-c2ccc([N+](=O)[O-])cc2)n1 727486798 OJJLBPRCWPIHKU-UHFFFAOYSA-N 432.893 4.051 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1(c2cccc(C(F)(F)F)c2)CC1 727556377 ZDVFFZUOPXABIM-UHFFFAOYSA-N 433.342 4.439 5 20 IIBD COc1ccc(CC(=O)Oc2ccc(N(C)C(=O)c3ccc(C)cc3)cc2)cc1[N+](=O)[O-] 727662467 HNGNGQCQAKBWAV-UHFFFAOYSA-N 434.448 4.337 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)CCc1nc2cc(Cl)ccc2s1 730607896 CMPJVKGBADRAIR-UHFFFAOYSA-N 433.873 4.281 5 20 IIBD O=C(COC(=O)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 730626177 ZRGXFDAPKQXWQJ-NRFANRHFSA-N 427.359 4.419 5 20 IIBD C[C@@H](OC(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 730631702 QJEKYMCBYFLKIE-GFCCVEGCSA-N 447.419 4.265 5 20 IIBD COc1ccc2oc(C(=O)OC[C@@H]3CCCN3C(=O)c3ccccc3[N+](=O)[O-])c(C)c2c1 730705926 SXEQNZBJWDPGEE-HNNXBMFYSA-N 438.436 4.120 5 20 IIBD COC(=O)[C@@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cccc(Cl)c1 733821881 WQASWAQIYZCPIA-QHCPKHFHSA-N 435.863 4.266 5 20 IIBD COc1ccc(-c2noc(CCCC(=O)OCc3cc([N+](=O)[O-])ccc3Cl)n2)cc1 734780498 GYBINZZSQRQIKA-UHFFFAOYSA-N 431.832 4.373 5 20 IIBD O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 734890095 AUAKMRKUPAAXLO-ZDUSSCGKSA-N 435.839 4.375 5 20 IIBD Cc1ccc(N(CC2CCOCC2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 735488100 BWEAQNTVESCIDU-UHFFFAOYSA-N 438.933 4.487 5 20 IIBD O=C(c1cc(-c2ccco2)nc2ccccc12)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 735822081 OIZGKQILTYCHPO-HNNXBMFYSA-N 429.436 4.125 5 20 IIBD CCO[C@@H](C)c1noc(COc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)n1 736604780 NEMFDCZSHTZQKB-ZDUSSCGKSA-N 437.408 4.428 5 20 IIBD COc1ccc([C@@H]2CCCCCN2C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2C)cc1 742994718 CYQWGKHLPIQALG-NRFANRHFSA-N 426.469 4.213 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3ccccc3OC(F)F)CC2)ccc1[N+](=O)[O-] 744202142 WAHOSOMIAFFDBW-UHFFFAOYSA-N 436.411 4.421 5 20 IIBD COc1ccc(OCCOC(=O)c2ccccc2NC(=O)c2cccs2)c([N+](=O)[O-])c1 744538078 ZWZMNZWBLJZAHP-UHFFFAOYSA-N 442.449 4.153 5 20 IIBD O=C(COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccccc1OC(F)F 745564462 DFHPTFLBIIVHED-UHFFFAOYSA-N 434.273 4.011 5 20 IIBD COc1cccc(CN2CCC(NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC2)c1 746816368 HBBFWXNBYXVYQD-UHFFFAOYSA-N 437.418 4.017 5 20 IIBD CCOC(=O)N1CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 748232903 QWMIVIRMXZMVNB-UHFFFAOYSA-N 447.875 4.345 5 20 IIBD COc1cc(N2CCC(OC(=O)Cc3coc4cc(F)ccc34)CC2)ccc1[N+](=O)[O-] 749039357 YTEOIXSINXSBDX-UHFFFAOYSA-N 428.416 4.243 5 20 IIBD CN(OCc1ccccc1)C(=O)c1ccc(C(=O)N(C)OCc2ccccc2)c([N+](=O)[O-])c1 749299103 UXWVIXFLJCSCIV-UHFFFAOYSA-N 449.463 4.002 5 20 IIBD Cc1cc2c(cc1Br)N(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C[C@@H](C)O2 751326144 LEYKOJMHVYGZPX-SNVBAGLBSA-N 436.218 4.002 5 20 IIBD CCOc1cc(NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c([N+](=O)[O-])cc1OCC 752625882 QQQCLQPUMIRQGC-ZDUSSCGKSA-N 432.433 4.492 5 20 IIBD CCOC(=O)CC[C@H]1CCCN(Cn2nc(-c3ccc([N+](=O)[O-])cc3)n(CC)c2=S)C1 752799031 WIKPSYINOYBYPY-MRXNPFEDSA-N 447.561 4.022 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1Br 754062462 USPCPYHCGBXKBH-OLZOCXBDSA-N 443.342 4.190 5 20 IIBD CC1(C)CC(=O)c2sc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3Br)nc2C1 754628987 HJCPECIYEMSGEK-UHFFFAOYSA-N 442.266 4.360 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCc2cc(Br)ccc21 754987662 MCUQJJPGPLWYHB-UHFFFAOYSA-N 444.054 4.462 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cnn(CC(C)C)c1-c1ccccc1 759027257 OKNAHJCOTSHCRR-UHFFFAOYSA-N 436.468 4.218 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CCc2c(F)cc(Br)cc2C1 759241944 SXAPJEVWIXWNFQ-UHFFFAOYSA-N 436.237 4.016 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1ccccc1OC(F)F 763815975 YJCAAORLZOITPB-UHFFFAOYSA-N 426.397 4.104 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCO[C@H](c3ccccc3C)C2)c1=S 765036329 VQPHZCDYPRMYJT-FQEVSTJZSA-N 439.541 4.349 5 20 IIBD Cc1c(C(=O)N[C@@H](C)Cc2ccc(F)c(Br)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 766026650 ARLKZLNXKOHUSS-VIFPVBQESA-N 440.225 4.074 5 20 IIBD COC(=O)c1coc([C@@H](C)OC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 766981317 BLCLXVQHLPVWMR-ZIAGYGMSSA-N 439.424 4.461 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 767136502 JCYPEWDVNUVPBK-HNNXBMFYSA-N 437.374 4.471 5 20 IIBD CCCc1c(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1-c1cccc(C)c1 769646387 SRVAWMWWPBHYSN-UHFFFAOYSA-N 447.451 4.448 5 20 IIBD C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 772317832 GLJINBHFIDUVRP-QZTJIDSGSA-N 449.551 4.059 5 20 IIBD C[C@H](CSCc1ccccc1)C(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 772975826 OCPIKWMGURNNGC-QGZVFWFLSA-N 429.542 4.319 5 20 IIBD C[C@H](OC(=O)c1sc(Br)cc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1 773612140 KNJZYEDVBHOTRY-ZETCQYMHSA-N 433.667 4.256 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 775227694 JTRFHGVPMAGXDB-AEFFLSMTSA-N 434.537 4.303 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Br)N1CCC(n2ccc(C(F)(F)F)n2)CC1 778697780 FDRYTUCIJIIGRF-UHFFFAOYSA-N 447.211 4.050 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1 779702434 DDZDNRKKGWWKNT-GOSISDBHSA-N 437.412 4.311 5 20 IIBD Cn1c(COC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)nnc1-c1ccc(Cl)cc1 781260261 QLXQLMWIMYDDOY-UHFFFAOYSA-N 444.878 4.487 5 20 IIBD C[C@H](OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)NC12CC3CC(CC(C3)C1)C2 781267938 IUHHPAIGTIFKEG-GLCHGYBISA-N 444.531 4.312 5 20 IIBD CC(C)(NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Br)cc1 781609582 LLBLMQWYSFJKMC-UHFFFAOYSA-N 436.262 4.250 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC[C@H]1c1ccc2c(c1)OCCO2 782164307 RIENHTMPWQUMRJ-AWEZNQCLSA-N 433.258 4.106 5 20 IIBD CN(C)CCOc1ccc(N(C)C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1 783402687 UANOJLARCRIHBT-UHFFFAOYSA-N 449.507 4.391 5 20 IIBD CC(C)c1ccc(C(=O)N[C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)cc1[N+](=O)[O-] 784424633 PMEQOVGRWSAEDG-HNNXBMFYSA-N 429.492 4.309 5 20 IIBD O=C(Nc1ccc(Oc2ccccc2F)nc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 785867204 KIOGLNXLXOXCEO-UHFFFAOYSA-N 438.415 4.010 5 20 IIBD CCOC(=O)c1nc(-c2ccccc2)oc1COC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 791689943 RTWUCWYNBXVGKN-UHFFFAOYSA-N 440.408 4.101 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Oc2ccc3c(c2)C(=O)CC(C)(C)O3)cc1[N+](=O)[O-] 795277904 SIBYWLZDNJOIJG-UHFFFAOYSA-N 425.846 4.068 5 20 IIBD C[C@H](OC(=O)CSc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 800696742 WQQXHQSGDVNRJV-JTQLQIEISA-N 446.378 4.415 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC(c2ccc(OC)c(F)c2)=NO1 801362685 KDUMHGKLDHNSLS-HNNXBMFYSA-N 447.488 4.168 5 20 IIBD C[C@@H](OC(=O)c1cccc(C(=O)Nc2ccccc2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 803910206 URNQPLOBCGRSHF-OAHLLOKOSA-N 433.420 4.031 5 20 IIBD COc1cccc2c1CC[C@H]2NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 806964888 ZMFNSKHZCNXCRL-QGZVFWFLSA-N 446.301 4.121 5 20 IIBD O=[N+]([O-])c1ccc(Oc2ccc(-c3noc(-c4cn(C5CCOCC5)nn4)n3)cc2)cc1 810284811 XEMOUSHSYNSWSC-UHFFFAOYSA-N 434.412 4.047 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)cc1[N+](=O)[O-] 812614774 WPJFKCOQMSSKEJ-NNUKFRKNSA-N 434.246 4.250 5 20 IIBD Cc1ccc(C(=O)OCC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)cc1[N+](=O)[O-] 854571412 YVNXDWOZGRPLHJ-QHCPKHFHSA-N 436.439 4.447 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@H]2c2nc(C3CCCCCC3)no2)cc1 904687619 UPWMRVOTZFDWGK-SFHVURJKSA-N 434.518 4.332 5 20 IIBD O=C(NCCc1ccc2ccccc2c1)c1cc([N+](=O)[O-])ccc1I 915293450 NLBNWDJRXHWFFG-UHFFFAOYSA-N 446.244 4.325 5 20 IIBD CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=S)N1C 917378266 RZPKIZYBYNLHBA-KRWDZBQOSA-N 434.880 4.161 5 20 IIBD Cc1c(C(=O)O[C@H](C)c2ccccc2[N+](=O)[O-])sc2nc3n(c(=O)c12)CCCCC3 920267488 JQPKTAQGLVGEEL-CYBMUJFWSA-N 427.482 4.319 5 20 IIBD O=C(Nc1cccc(OS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1)c1ccccc1 920315923 RMHAXQZMFWKQBG-UHFFFAOYSA-N 432.841 4.268 5 20 IIBD O=C(CSc1nnnn1C1CCCC1)Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-] 920330564 GTSOKPUAENOVFG-UHFFFAOYSA-N 425.470 4.061 5 20 IIBD O=[N+]([O-])c1nn(CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1Br 921050627 AJCMSMWPSDTDGN-UHFFFAOYSA-N 440.685 4.186 5 20 IIBD Nc1c(C(=O)Nc2c(-c3ccco3)nc3ccccn23)cc(Br)cc1[N+](=O)[O-] 1116937584 FBKWMOUOEXLMOI-UHFFFAOYSA-N 442.229 4.100 5 20 IIBD Cc1nccn1-c1ccncc1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 1318490662 JGHJABIKTNLTSQ-UHFFFAOYSA-N 428.452 4.348 5 20 IIBD C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 1323281234 BATSRSRNSIGQIL-CYBMUJFWSA-N 449.916 4.349 5 20 IIBD Cc1ccc(C)c(OCc2nnc(-c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)o2)c1 1328091512 ZIEFUYVQOQAPFT-UHFFFAOYSA-N 438.469 4.120 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN3CCN(Cc4ccccc4Cl)CC3)o2)cc1Cl 1345543876 YVDSBOMOLLPGIG-UHFFFAOYSA-N 448.310 4.269 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)CCC2)cc1)C1=CCCS1 1786413926 OOYAABJUZMOBAQ-UHFFFAOYSA-N 439.493 4.069 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]3C3CC3)CCC2)cc1)c1ccc(O)c([N+](=O)[O-])c1 1790617626 XTFNUUDQJMTGGY-RTBURBONSA-N 435.480 4.094 5 20 IIBD C[C@H](C(=O)NC1(c2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2)CCC1)n1cccc1 1790622907 KPALMYVOPQUNLF-MRXNPFEDSA-N 448.479 4.111 5 20 IIBD O=C(CC1CCC1)Nc1ccc(C2(NC(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)CCC2)cc1 1792272356 QUPCGFWDZDRXTK-UHFFFAOYSA-N 447.495 4.409 5 20 IIBD Cc1ccoc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 1801206691 IHADTQLORLBOIR-MUJYYYPQSA-N 439.493 4.277 5 20 IIBD CC1(C(=O)N2CCCC3(CCN(C(=O)/C=C/c4ccccc4[N+](=O)[O-])CC3)C2)CCCC1 1804991384 BKNFDBXMFZRRTP-MDZDMXLPSA-N 439.556 4.420 5 20 IIBD O=C(C[C@@H]1C[C@@H]2CC[C@H]1C2)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823618074 PHNOHOVDCFHYHI-BTHPGYMESA-N 443.544 4.247 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC(C)(C)C)CC1 1830788810 UPFDVKNZDCPHIO-IBGZPJMESA-N 445.560 4.278 5 20 IIBD C[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1)c1cccs1 1832141255 ZBDLXNPAAVJVBD-DOTOQJQBSA-N 445.541 4.286 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC2(CCCN2C(=O)c2cc3sccc3s2)C1 1844033725 SBZIGTFTWIPTIW-UHFFFAOYSA-N 445.497 4.141 5 20 IIBD Cc1ccc(Cl)c(OCC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 9448806 KWIRVBQNAXXJOQ-UHFFFAOYSA-N 446.765 4.136 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O 10904169 GTVZKYHJMITPCO-INIZCTEOSA-N 440.308 4.363 5 20 IIBD CCOC(=O)/C=C/c1ccc(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1 10968646 ZNVWDOQEKFOKSU-RMKNXTFCSA-N 436.367 4.033 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2oc3ccccc3c2COC(C)C)c([N+](=O)[O-])c1 11242807 YDMIVYAASHWCQY-UHFFFAOYSA-N 442.424 4.070 5 20 IIBD C[C@@H](NC(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 13999508 GSFREVVTHQEUHA-CQSZACIVSA-N 434.408 4.246 5 20 IIBD COc1ccc([N+](=O)[O-])cc1OCC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1 14735901 MQWWAGOAIPWJIT-LJQANCHMSA-N 435.436 4.262 5 20 IIBD COC(=O)c1ccc(OCC(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)c([N+](=O)[O-])c1 26270371 YTJVOGPZRCMPQM-UHFFFAOYSA-N 441.465 4.139 5 20 IIBD COc1ccc(Cn2nccc2NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c(OC)c1 26881277 YTROOBIDPVMVDH-UHFFFAOYSA-N 438.484 4.407 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc1OC 28686066 WWIFROCCHYVFTD-UHFFFAOYSA-N 441.465 4.313 5 20 IIBD COc1ccc(N(Cc2ccc(OC)c([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 60817189 MCVJHLIJYKROKN-UHFFFAOYSA-N 428.466 4.008 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(Cl)cc1C(=O)N1[C@@H](C)CCC[C@@H]1C 61158504 FCOLVPJBAJQUNO-KBPBESRZSA-N 447.923 4.185 5 20 IIBD NC(=O)c1ccc(SCC(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)c([N+](=O)[O-])c1 78507916 MAWFLONSGPLWLU-LJQANCHMSA-N 433.917 4.097 5 20 IIBD C[C@H](OC(=O)/C=C/c1nc2ccccc2s1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 106864746 CSYPZSPMOWFXJM-FBOQAHMBSA-N 431.857 4.442 5 20 IIBD O=C(NCc1cccc(CN2CCOCC2)c1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 108028614 XNKPHFDAARSNOT-UHFFFAOYSA-N 446.507 4.101 5 20 IIBD CCc1cc(NC[C@@H](c2ccc(C)o2)N2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 108218600 UZJIVYPQQKKAQJ-FQEVSTJZSA-N 437.500 4.001 5 20 IIBD Cc1cc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c(C)o1 109308222 HAQGQQMAWVJCNU-AWEZNQCLSA-N 443.481 4.096 5 20 IIBD CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)Cn1cc([N+](=O)[O-])nc1C 116043532 ZFDJFTTUDVMXIX-UHFFFAOYSA-N 448.888 4.297 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1 195721177 CAYVXZQEUXVAIX-UHFFFAOYSA-N 447.476 4.093 5 20 IIBD CS(=O)(=O)c1ccc(Nc2ccc(N3CCc4sccc4C3)cc2)c([N+](=O)[O-])c1 301081682 DJXLDVSCKYHOFO-UHFFFAOYSA-N 429.523 4.366 5 20 IIBD O=C(c1cc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-])N1CCCC1 301188302 WPIJYPCJOCOSSI-QFIPXVFZSA-N 443.931 4.434 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(N2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1[N+](=O)[O-] 301695313 AWSZWRBVUGWQFQ-ZDUSSCGKSA-N 432.502 4.023 5 20 IIBD CS(=O)(=O)c1cc(C(=O)N[C@H](CCc2ccccc2)c2ccccc2)cc([N+](=O)[O-])c1 303040875 SWEDHAWBTMQOSB-JOCHJYFZSA-N 438.505 4.102 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O 303832912 HASZHZJPYHNKHA-SUMWQHHRSA-N 433.917 4.041 5 20 IIBD O=C(NCCc1nc(-c2cccc(Cl)c2)no1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 426473129 QNJLZQIFBIRSDU-UHFFFAOYSA-N 441.875 4.215 5 20 IIBD COCCS(=O)(=O)c1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 428550731 IYEHDYLBEOLJBZ-UHFFFAOYSA-N 446.550 4.033 5 20 IIBD O=[N+]([O-])c1ccc2nc(NS(=O)(=O)c3ccc(Br)c(Cl)c3)sc2c1 430080001 AKJYYVCCUKNBEP-UHFFFAOYSA-N 448.707 4.421 5 20 IIBD CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 430446154 FNVYUCGGHHPOBM-SJLPKXTDSA-N 429.687 4.214 5 20 IIBD C[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1noc(-c2ccc(Cl)cc2)n1 430484397 NAUJFUTTYQSVBX-LLVKDONJSA-N 427.848 4.364 5 20 IIBD CCOc1ccc(C2(CNC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1 431783075 GSYRWOHGULYCRN-UHFFFAOYSA-N 441.528 4.276 5 20 IIBD COc1ccccc1-c1noc(C2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)n1 432974493 ZNVRTZZMPFGBKW-UHFFFAOYSA-N 437.456 4.373 5 20 IIBD COc1cc(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c([N+](=O)[O-])cc1OC 435448213 UEMIDVXOTSJCQC-JTQLQIEISA-N 445.419 4.107 5 20 IIBD CC[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C1CCOCC1 435824391 HEKCUUZVCFASQL-HNNXBMFYSA-N 449.554 4.067 5 20 IIBD COc1cc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)ccc1NC(C)=O 436076650 RAYOWACCBFPEEW-UHFFFAOYSA-N 437.402 4.179 5 20 IIBD CC(C)(C)Nc1ccccc1NC(=O)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 440033945 INQOWPYRBWPADK-UHFFFAOYSA-N 438.406 4.079 5 20 IIBD CCOc1cc(NC(=O)N(CCCO)[C@H]2CCc3ccccc32)c([N+](=O)[O-])cc1OCC 444037910 GZXABOSYAASJQD-IBGZPJMESA-N 443.500 4.296 5 20 IIBD COC(=O)c1cc(NC(=O)CCCC(=O)c2ccc(Br)cc2)cc([N+](=O)[O-])c1 446161796 NZVXZNCERZGOCT-UHFFFAOYSA-N 449.257 4.136 5 20 IIBD COc1ccccc1[C@H](CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])N(C)C 447676659 RGWBOWSLAGQIFD-ZDUSSCGKSA-N 434.365 4.367 5 20 IIBD O=C(NCCNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])c1ccc(Cl)cc1 447684890 FTFLBHADZCMHJE-UHFFFAOYSA-N 438.740 4.139 5 20 IIBD O=C(c1cc2ccccc2s1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 447728858 FSGNKWXFVLBQJR-UHFFFAOYSA-N 429.885 4.061 5 20 IIBD Cc1cc(C[C@@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n(-c2ccccc2)n1 448189841 NTLKRZCGJKTHFT-ZBFHGGJFSA-N 442.903 4.257 5 20 IIBD CN(Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 460881600 MEODZWVWHLHXKE-UHFFFAOYSA-N 435.446 4.279 5 20 IIBD CO[C@H](CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccc(F)cc1 465391683 YYRWQXNLZUDUIA-IVZQSRNASA-N 438.459 4.420 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 466287337 MNUQFQCGWMSKIE-UHFFFAOYSA-N 441.793 4.324 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])Nc1cc(-c2nnc3n2CCCCC3)ccc1F 467976185 ZIFCNSOWDVHPCF-UHFFFAOYSA-N 438.463 4.083 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NC1(Cc2ccccc2)CCCCC1 469017625 OZYJEOOJPCKGSG-UHFFFAOYSA-N 429.904 4.040 5 20 IIBD Cc1ccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(-n2cc(Cl)cn2)n1 469856269 SUWGSPHNOQNCTP-UHFFFAOYSA-N 427.873 4.282 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O 475797157 GFRIVSYTUFXFCJ-OAHLLOKOSA-N 442.686 4.019 5 20 IIBD COc1cc(CCNC(=O)Nc2cc(-c3ccccc3)ns2)c([N+](=O)[O-])cc1OC 475800096 TWOTUXSNQYYRDV-UHFFFAOYSA-N 428.470 4.100 5 20 IIBD C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)c1c(F)cccc1Cl 477273654 WEHLDDHAAQOFRH-MRVPVSSYSA-N 448.619 4.483 5 20 IIBD CC(=O)Nc1sc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)nc1-c1ccccc1 479357228 HIRPKMZAFMPOTA-UHFFFAOYSA-N 448.464 4.115 5 20 IIBD COc1cc(CN[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F 481182088 OTEYLZSCNFXCGC-MAUKXSAKSA-N 435.471 4.205 5 20 IIBD O=C(CN1CCO[C@H](c2ccc(F)cc2Cl)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] 481593912 GCENGDAQNMABDW-KRWDZBQOSA-N 428.247 4.053 5 20 IIBD Cc1ccc(-n2ncc(NC(=O)c3nnn(-c4cccc([N+](=O)[O-])c4)c3C)c2C(C)C)cc1 481862358 GWXANKLMCZZDKG-UHFFFAOYSA-N 445.483 4.354 5 20 IIBD C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 482358575 QMQNIGSRBWSCNB-SFHVURJKSA-N 446.507 4.101 5 20 IIBD CCc1cc(O)nc(-c2cccc(NC(=O)c3cc(SC)c(OC)cc3[N+](=O)[O-])c2)n1 482927725 FZJUTUAVPBWRBC-UHFFFAOYSA-N 440.481 4.303 5 20 IIBD COc1ccc(NC(=O)CCN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1Cl 485445011 XMTDYVVGKVEVDS-UHFFFAOYSA-N 433.892 4.129 5 20 IIBD Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)c2sc(Br)cc2[N+](=O)[O-])o1 485513530 ICYBGPBKWNJSIZ-ZDUSSCGKSA-N 449.286 4.050 5 20 IIBD CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[nH]1 485672851 PCDRBPVDMPBGTL-UHFFFAOYSA-N 428.367 4.108 5 20 IIBD CC(C)CCn1ncc(NC(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1C(C)C 487755914 OLULNFMZOPLDJQ-UHFFFAOYSA-N 441.532 4.091 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2cccnc2)nc1 489001770 ONWMKYPBIFVIHG-UHFFFAOYSA-N 426.454 4.168 5 20 IIBD CCOc1ccccc1NC(=O)[C@H](c1ccccc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 489019037 RRNZSEBISYJUFD-QHCPKHFHSA-N 449.511 4.207 5 20 IIBD CCc1ccc([C@@H](NCCCn2cc(Br)cn2)c2ccc([N+](=O)[O-])cc2)o1 490258550 ZQLOHQQLCNWZOJ-IBGZPJMESA-N 433.306 4.479 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 493537593 WXOZBGRNHDCSGE-INIZCTEOSA-N 434.317 4.385 5 20 IIBD Cc1csc(N(CC(F)(F)F)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 498096458 XSAXHPCPYBWDSW-UHFFFAOYSA-N 428.436 4.172 5 20 IIBD CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)c1ccc(SC)c([N+](=O)[O-])c1)C1CC1 498110925 FSDVNMHQQHIVIW-IBGZPJMESA-N 428.510 4.096 5 20 IIBD CNC(=O)c1cc(Oc2cccc(Oc3ncc([N+](=O)[O-])cc3Br)c2)ccn1 499671183 OPAKNLVWLHOJLB-UHFFFAOYSA-N 445.229 4.092 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1ccccc1SC 500034781 DGXVMLQDEMVKNB-KDOFPFPSSA-N 447.582 4.046 5 20 IIBD O=C(Nc1ccc(-c2nc3c(F)cccc3[nH]2)cc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 502513308 SVRYIWOJYIFWFG-UHFFFAOYSA-N 443.398 4.110 5 20 IIBD O=C(CCN1CCCCC1)Nc1ccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1 505823701 JBRDTOJWLWENBU-UHFFFAOYSA-N 435.484 4.143 5 20 IIBD CS(=O)(=O)c1cc(SCc2coc(-c3c(F)cccc3F)n2)ccc1[N+](=O)[O-] 507628791 VHWUMMWRCCVMQE-UHFFFAOYSA-N 426.422 4.224 5 20 IIBD C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 508157158 AAPQPLIGEMONRF-ZDUSSCGKSA-N 448.401 4.211 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(Cc3nc(-c4cccs4)no3)CC2)cc1C(F)(F)F 509700583 RGGIBAMGRUIRLJ-UHFFFAOYSA-N 439.419 4.047 5 20 IIBD CCN1CCN([C@@H]2CCN(Cc3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)C2)CC1 513447715 OVJKYUXGMNHXFW-HXUWFJFHSA-N 444.963 4.252 5 20 IIBD COc1cc(C(=O)N[C@@H](C)c2ccc(OCC(C)C)c(OC)c2)c([N+](=O)[O-])cc1OC 515034936 KRBDZTUVTGWRAL-AWEZNQCLSA-N 432.473 4.146 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)c1sc(-c2ccc(C)cc2)nc1C 517410059 HDVKVMLZBKBBGI-CQSZACIVSA-N 447.538 4.383 5 20 IIBD O=C(COc1ccc(-c2ccccc2)cc1[N+](=O)[O-])NC[C@H]1CCN(c2ccccc2)C1 517912370 DBYCWUWBKRVROG-LJQANCHMSA-N 431.492 4.283 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1(c2ccc(C(C)C)cc2)CCCC1 518673284 XCZAFQKAMNUTMO-UHFFFAOYSA-N 439.512 4.294 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1 521695999 DKRFCTXPVPQTLX-SNVBAGLBSA-N 448.302 4.262 5 20 IIBD CCC(CC)(CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(Cl)cc1 522500759 ADXCVJKFGXPJCM-UHFFFAOYSA-N 433.892 4.070 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)c(Cl)c1 522547662 NSLBXJUZAADDCV-HNNXBMFYSA-N 433.338 4.380 5 20 IIBD Cc1c(NC(=O)CCC[S@@](=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-] 522596446 BYASKQJUPJQNKU-RUZDIDTESA-N 425.304 4.192 5 20 IIBD O=C(CSCc1ccccn1)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 522817500 CCUKTNXXRZMRKC-UHFFFAOYSA-N 435.465 4.307 5 20 IIBD COc1cccc(N2CC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)C2)c1 524455286 NQHRELPFTIDRFB-IBGZPJMESA-N 446.507 4.224 5 20 IIBD Cc1ccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1C(F)(F)F 527098063 SOLZPZPLNRDOFS-UHFFFAOYSA-N 433.289 4.101 5 20 IIBD CC(=O)N1CC[C@@](C)(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)C1 531327633 IUMRPAPNJAMTII-OAQYLSRUSA-N 449.866 4.054 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl 533833775 ZDEPFDOSECCGSN-UHFFFAOYSA-N 446.813 4.273 5 20 IIBD CN1CC[C@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)[C@H]1c1ccc(Cl)c(F)c1 534230625 YQISTYBKMWSJAL-OPAMFIHVSA-N 444.894 4.151 5 20 IIBD CC(C)Oc1ccc(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)c(F)c1 534287098 PBCGSQOLEHBWGF-UHFFFAOYSA-N 444.200 4.378 5 20 IIBD O=C(Nc1nc(-c2ccco2)cs1)c1cc(I)cc([N+](=O)[O-])c1 535023269 XGQCHQXVLDXLEK-UHFFFAOYSA-N 441.206 4.168 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 536494173 QHXMZMKVYSXIBY-YWZLYKJASA-N 434.899 4.222 5 20 IIBD CN(C(=O)c1cc(I)cc([N+](=O)[O-])c1)c1ccc(F)c(Cl)c1 538433490 FGNBJXLMNYQVPR-UHFFFAOYSA-N 434.592 4.269 5 20 IIBD CCCOc1cc(NC(=O)N2CCC[C@@H](c3n[nH]c(C)n3)C2)c([N+](=O)[O-])cc1OCCC 538663901 HZIBVZAAGPUURG-OAHLLOKOSA-N 446.508 4.010 5 20 IIBD COc1ccc2c(c1)OC[C@H]2CC(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 540450507 UAHYONULMGSVPS-CYBMUJFWSA-N 425.466 4.256 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]1Cn1cnc2ccccc21 541453705 FDMHQVZGYLPKHH-HNNXBMFYSA-N 430.917 4.381 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1C 543277725 JAKPRSOHOIMNDG-MRXNPFEDSA-N 440.500 4.248 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(-c3nc(CC)no3)cc2Cl)cc([N+](=O)[O-])c1 544362388 GHLLGQZHEGFZBW-UHFFFAOYSA-N 444.831 4.290 5 20 IIBD Cc1c(Cc2noc(-c3nnn(-c4ccc(OC(C)C)cc4)c3C)n2)cccc1[N+](=O)[O-] 545076281 WHMRIEMNEKUTRH-UHFFFAOYSA-N 434.456 4.220 5 20 IIBD CSc1ccc(C(=O)NCCc2cn3cc(Br)cc(C)c3n2)cc1[N+](=O)[O-] 545354471 VIYRLHWKRNDBGO-UHFFFAOYSA-N 449.330 4.008 5 20 IIBD COc1ccc(COc2ccc(-c3noc(CNc4ccccc4[N+](=O)[O-])n3)cn2)cc1 545648774 XZVBUSHMBPXTRP-UHFFFAOYSA-N 433.424 4.240 5 20 IIBD Cc1cc(NC(=O)NC2(c3cccc(Br)c3)CCOCC2)ccc1[N+](=O)[O-] 546036186 DEGYLHBXFQJRIP-UHFFFAOYSA-N 434.290 4.493 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1cnc2nccnc2c1 546752383 UVZAMMUALHJPJR-UHFFFAOYSA-N 449.448 4.091 5 20 IIBD CC(C)NC(=O)Nc1ccc(-c2noc(-c3ccn(-c4cccc([N+](=O)[O-])c4)n3)n2)cc1 547112596 BYYYDCMBXKOAEQ-UHFFFAOYSA-N 433.428 4.027 5 20 IIBD CC1CCN(c2ccc(-c3nc(CN(C)C(=O)c4ccccc4)no3)cc2[N+](=O)[O-])CC1 547140100 PNPBSPKPZGEIHR-UHFFFAOYSA-N 435.484 4.153 5 20 IIBD CC(C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 551767571 BIKOUPSASUQGTI-GXTWGEPZSA-N 426.311 4.017 5 20 IIBD CCOc1cc(C(=O)NCc2cc(F)c(C(F)(F)F)cc2F)c([N+](=O)[O-])cc1OC 561691362 PMRDKIPBIXMLLX-UHFFFAOYSA-N 434.317 4.229 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CC3(CCC3(F)F)C2)c([N+](=O)[O-])c1 564647982 CVKKYWYWAVJCSA-UHFFFAOYSA-N 437.468 4.046 5 20 IIBD C[C@H](Sc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C)c1nc2ccccc2n1C(F)F 565788691 KJSVUYHWUZPSFA-JTQLQIEISA-N 431.424 4.440 5 20 IIBD O=[N+]([O-])c1cc2c(Sc3nnc(-c4cccnc4)n3-c3ccccc3)ncnc2s1 566861177 GEKYADQDMOGGAO-UHFFFAOYSA-N 433.478 4.393 5 20 IIBD O=C(NC1(c2noc(-c3cc(O)nc4ccc([N+](=O)[O-])cc34)n2)CCCC1)c1ccccc1 569622861 FBXRWNJQLMKMOT-UHFFFAOYSA-N 445.435 4.098 5 20 IIBD CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 569816878 BOJZRJTWDWRHFA-FQEVSTJZSA-N 445.947 4.085 5 20 IIBD COc1cc(Cc2noc(-c3cc(Br)ccc3F)n2)c([N+](=O)[O-])c(OC)c1 571248921 AECMWPVZNAKMNK-UHFFFAOYSA-N 438.209 4.154 5 20 IIBD CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 573883400 YVGJUFYPFSFGAB-ACJLOTCBSA-N 445.545 4.185 5 20 IIBD CN(CCc1nccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cccs1 582016323 SEINPCDEDCFWHA-UHFFFAOYSA-N 426.527 4.099 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])c1nnc(Cc2ccsc2)n1C[C@H]1CCCCO1 582619767 SZIAIXGWHSQHTB-GOSISDBHSA-N 427.530 4.044 5 20 IIBD CCOc1cc(CN2CCCc3occc3C2)ccc1OCCn1c([N+](=O)[O-])cnc1C 589210418 BOCNVECNUXJEOM-UHFFFAOYSA-N 440.500 4.119 5 20 IIBD CC(C)CN(Cc1ccccc1F)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 603530596 HLJYNDLQBYOLGN-UHFFFAOYSA-N 429.448 4.107 5 20 IIBD Cc1ccc(-c2csc(NC(=O)[C@@H]3CC(=O)N(C4CCCCC4)C3)n2)cc1[N+](=O)[O-] 603567668 NXXIZDLMZXFBQA-OAHLLOKOSA-N 428.514 4.146 5 20 IIBD O=C(CSc1cccc2cccc(Cl)c12)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 603572050 UXFPETCOXVHQGZ-UHFFFAOYSA-N 442.928 4.237 5 20 IIBD CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Cl 603974635 CEIDEEYSORTIJK-UHFFFAOYSA-N 446.312 4.184 5 20 IIBD Cc1sc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)nc1-c1cccc([N+](=O)[O-])c1 603997049 PEPNNVIQKMZVIM-KRWDZBQOSA-N 436.493 4.014 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 604032831 UUHHNOOXHKDOBI-UHFFFAOYSA-N 444.553 4.385 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)N[C@@H](C)CC)cc2C)cc1OC 604457568 SNJGOSNIXFIGKM-AWEZNQCLSA-N 429.473 4.091 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCCC[C@H]1c1noc(C2CC2)n1 606229331 SYYSGRKFOXJTED-NRFANRHFSA-N 428.492 4.169 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)N(C)CC(C)(C)C)cc([N+](=O)[O-])c1C 608881459 YIJAGKYHNAQXSL-UHFFFAOYSA-N 433.530 4.131 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N(C1CC1)[C@@H]1CCc2ccccc21 609030576 XTAVBWVNVAHSDH-MRXNPFEDSA-N 437.315 4.198 5 20 IIBD COc1cc(CCNC(=O)Nc2cc(C(F)(F)F)ccc2F)c([N+](=O)[O-])cc1OC 609080116 PYVDOWHGLIHSFL-UHFFFAOYSA-N 431.342 4.134 5 20 IIBD Cc1ccc(Br)cc1NC(=O)CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 609861424 IENBMARMFUBSOX-UHFFFAOYSA-N 440.681 4.078 5 20 IIBD O=C(NCC1CC1)c1cc(Cl)ccc1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 610132205 ZTCIVINOEIHBLX-UHFFFAOYSA-N 427.848 4.050 5 20 IIBD COc1cc(C(=O)NC[C@H]2CCCCN2Cc2cccc(Cl)c2)cc([N+](=O)[O-])c1OC 610175087 YFXCAWHAQOUAMU-GOSISDBHSA-N 447.919 4.050 5 20 IIBD CC(=O)N[C@H]1Cc2ccccc2N(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 610977694 NWRSCSHZZIOKKM-IBGZPJMESA-N 447.516 4.454 5 20 IIBD COC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc(C(F)(F)F)c1 611523282 KDVZZZNCOQGRAB-CQSZACIVSA-N 434.317 4.333 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc(C)c(Cc2ccc(C)cc2)s1 619506823 QUSBIFGBYVUNDY-UHFFFAOYSA-N 433.511 4.068 5 20 IIBD CC(C)(C)c1nc(COC(=O)c2ccc([N+](=O)[O-])cc2I)cs1 726027840 ZPJXVZWUQOTDRU-UHFFFAOYSA-N 446.266 4.310 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@H](OC1CCCC1)c1ccccc1 727018054 QVEKKKIBAXNBSC-QVKFZJNVSA-N 442.468 4.174 5 20 IIBD CCOc1cn(-c2ccccc2)nc1C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 728680503 APHXKYGIUMRKFJ-CQSZACIVSA-N 449.423 4.147 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCc2cc([N+](=O)[O-])ccc2OC(C)C)cc1SC 729119338 MQJPFQBAVLFACX-UHFFFAOYSA-N 436.442 4.378 5 20 IIBD Cc1c(C(=O)Nc2cccc(C(=O)OCc3ccccc3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 729964668 KWAYUNOJADLWPK-UHFFFAOYSA-N 435.392 4.421 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(-c2ccc(F)cc2)cc1F 730055013 CTTKTLHQIPOTQM-UHFFFAOYSA-N 442.374 4.344 5 20 IIBD CC(C)(C)OC(=O)NCc1cccc(OC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c1 730200580 OZCKPCANLUXJRZ-UHFFFAOYSA-N 438.440 4.024 5 20 IIBD O=c1cc(-c2ccc([N+](=O)[O-])cc2)c2ccc(OS(=O)(=O)C3CCCCC3)cc2o1 731215269 UJXBAFHXHIKUFA-UHFFFAOYSA-N 429.450 4.410 5 20 IIBD O=Cc1ccc(OCC(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)c([N+](=O)[O-])c1 731612735 MHYIYWMNLZAECS-FQEVSTJZSA-N 447.285 4.206 5 20 IIBD CC(C)Oc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 735637152 BUKQNTZPFNZWIJ-GFCCVEGCSA-N 435.839 4.166 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)CC(C)C)c1 736486543 VYQFWJUBSCYHDP-HXUWFJFHSA-N 425.551 4.376 5 20 IIBD CCC(CC)(CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H](C)c1ccccc1 737300988 PQQBLJHXFFLMJO-OAHLLOKOSA-N 446.935 4.213 5 20 IIBD CSc1ccc(C(=O)OC[C@H]2CC(=O)N(C)[C@@H]2c2cccc(Cl)c2)cc1[N+](=O)[O-] 737383213 YONKRZJWSYYYLL-AUUYWEPGSA-N 434.901 4.347 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(NC(=O)c2cccs2)cc1 742623984 AGFXTIUIQGVWLS-UHFFFAOYSA-N 432.479 4.239 5 20 IIBD O=[N+]([O-])c1ccc(/C(O)=C(/C(=S)N[C@@H]2CCc3ccccc3C2)[n+]2ccccc2)cc1 743053962 ABNWZXNYBCONFA-HXUWFJFHSA-O 432.525 4.241 5 20 IIBD O=C(NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 744001732 IESRNEVMQCPEIE-OLZOCXBDSA-N 449.699 4.164 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@@H](C)c1ccc(Br)s1 745640961 RJABWKJJCRLMRE-JTQLQIEISA-N 427.276 4.013 5 20 IIBD Cc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 746055548 SQUQJBJSCWLSTA-UHFFFAOYSA-N 439.209 4.485 5 20 IIBD C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@@H](O)c1c(F)cccc1Cl 747996050 ACWFPYVJTHJCJR-QKFKETGDSA-N 438.886 4.186 5 20 IIBD Cc1c(C(=O)N[C@H](C)Cc2cccc(Br)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748635819 ZUKBUBKPXUTTGA-SNVBAGLBSA-N 436.262 4.243 5 20 IIBD Cc1ccc(-n2nc(C)c(NC(=O)COC(=O)c3cccc(Cl)c3[N+](=O)[O-])c2C)cc1 750540841 IOWJDXFPGAFNDS-UHFFFAOYSA-N 442.859 4.155 5 20 IIBD COc1ccc(CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)c(OC)c1 750857483 XEWNJQFAQCPCSF-UHFFFAOYSA-N 443.681 4.000 5 20 IIBD C[C@@H](OC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1Cl 750962127 BMGPCGDIRFBZKU-MRVPVSSYSA-N 445.628 4.334 5 20 IIBD CC[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H](O)c1c(F)cccc1F 752644854 QTKOTYFQQMGRFG-WBMJQRKESA-N 431.342 4.108 5 20 IIBD COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1OC[C@H](O)c1ccc(OC(F)(F)F)cc1 755329646 YKMUVEMNYSZCIR-AWEZNQCLSA-N 435.738 4.046 5 20 IIBD O=C(NC[C@H](O)c1cccc(OCc2ccccc2)c1)c1ccc(Cl)cc1[N+](=O)[O-] 761608600 QDVUEDOUMRYVQP-NRFANRHFSA-N 426.856 4.291 5 20 IIBD COc1ccc(Cn2cc(Br)c(=O)c([N+](=O)[O-])c2)cc1SC(F)(F)F 763275382 XMKXMGZQCQZMBE-UHFFFAOYSA-N 439.209 4.188 5 20 IIBD C[C@H](C(=O)OCC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 763410892 ZHEKZXAOGDHOPZ-NWDGAFQWSA-N 425.268 4.426 5 20 IIBD Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 763932251 LBICWWBCEAIDHZ-HNAYVOBHSA-N 442.516 4.057 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(Cn3c(SC(F)F)nc4ccccc43)n2)c1 771399905 UCFUWUNWYKOLED-UHFFFAOYSA-N 447.423 4.290 5 20 IIBD COc1cccc(NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)c1F 771516344 AMZLMTVRQYGILH-UHFFFAOYSA-N 437.427 4.292 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CCOC)c1cccc(Br)n1 776361955 DGANHPYDUIROPS-HNNXBMFYSA-N 436.306 4.001 5 20 IIBD O=C(OCc1nc(-c2ccc(Cl)cc2)no1)c1cc([N+](=O)[O-])ccc1OC(F)F 778893494 UNGAWPRVGQMMMK-UHFFFAOYSA-N 425.731 4.257 5 20 IIBD CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C(C)(C)CN1CCCCCC1 779224924 KDBKIZFBLAVZHI-UHFFFAOYSA-N 430.318 4.223 5 20 IIBD Cc1c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cnn1C1CCCCC1 781304752 DNOITCYRMSITIJ-CYBMUJFWSA-N 434.880 4.442 5 20 IIBD Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781641664 KYDRCIQSDQXADL-GOSISDBHSA-N 435.440 4.208 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN[C@H](C)c2ccc3c(c2)CC(=O)N3C)cc1OC 782054074 WNHPHKIKLQBUEG-HZPDHXFCSA-N 441.528 4.398 5 20 IIBD Cc1cc(-c2ncccc2NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cs1 782924752 SAYOMRYUJNPWOZ-CYBMUJFWSA-N 440.456 4.157 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)nc1 791508409 NMJWGYIQLKJPHM-UHFFFAOYSA-N 438.387 4.119 5 20 IIBD O=C(N[C@H](c1cncc(Br)c1)C1CC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 793482719 DGWOBQCMTAAAEE-HNNXBMFYSA-N 426.217 4.112 5 20 IIBD O=Cc1ccc(OCC(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)c([N+](=O)[O-])c1 794111793 PUIDRWAMSRLEMY-UHFFFAOYSA-N 434.273 4.045 5 20 IIBD CCOc1cc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)ccc1[N+](=O)[O-] 796465847 LGXSDLCQLRDUBH-FQEVSTJZSA-N 427.501 4.132 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3ccc(N(C)C)c(Cl)c3)CC2)ccc1[N+](=O)[O-] 797624840 KVCGWLLGQADSBX-UHFFFAOYSA-N 447.923 4.067 5 20 IIBD CC(C)(C)OC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H](c2ccncc2)C1 800334145 BGLSEQOWUVKHGB-GOSISDBHSA-N 446.891 4.077 5 20 IIBD COc1cc(Cc2noc(-c3cccc(CNC(=O)OC(C)(C)C)c3)n2)ccc1[N+](=O)[O-] 809435134 PBPBVIOEGMFUBB-UHFFFAOYSA-N 440.456 4.269 5 20 IIBD Cn1c(C(C)(C)NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)nc2ccccc21 809832779 SMWIPMPCZVIRKS-UHFFFAOYSA-N 443.312 4.002 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](C2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC2)C1 812349984 IEYUMXAUVBUQQB-INIZCTEOSA-N 437.924 4.357 5 20 IIBD Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1cc([N+](=O)[O-])ccc1I 813522905 YSYFDRYHEAVCEA-UHFFFAOYSA-N 448.220 4.150 5 20 IIBD C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 813638440 KIDJABXZNNPEPG-MRXNPFEDSA-N 438.532 4.051 5 20 IIBD COc1ccc(CSCC(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] 914916128 LQJYBPNWPSPIEQ-LBPRGKRZSA-N 438.889 4.060 5 20 IIBD O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1 917743153 QXEFQNHQYVLTFS-UHFFFAOYSA-N 430.392 4.217 5 20 IIBD Cc1cc(C)n2nc(CCCOC(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)nc2n1 918499607 WBBIVHJSYQKDJU-UHFFFAOYSA-N 446.467 4.183 5 20 IIBD Cc1cc(C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c(C)n1Cc1ccccc1 918897672 SRRNSPVQSSYCDF-UHFFFAOYSA-N 432.436 4.468 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1[N+](=O)[O-])c1ccccn1 919686140 FVABWPHMHFUOLS-GFCCVEGCSA-N 425.376 4.463 5 20 IIBD CCCCOc1ccc(OC)cc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1N 1116949162 UWBBRTZYPMJMTF-UHFFFAOYSA-N 438.278 4.379 5 20 IIBD O=C(OCC(=O)N(CC(F)(F)F)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1F 1317958372 BMDABQLDXBOEAF-UHFFFAOYSA-N 434.729 4.140 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@@H]3CCCc4cnn(C(C)C)c43)cc2[N+](=O)[O-])CC1 1320539391 VLYHCNJIJAVNSM-LJQANCHMSA-N 425.533 4.416 5 20 IIBD COC(=O)[C@H]1CCC[C@H]1NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 1321213134 JVTZQHLNTCUNFN-GOEBONIOSA-N 434.901 4.471 5 20 IIBD CCCn1nc(-c2nnc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)o2)c2ccccc2c1=O 1322271286 GXQXJCSXTUNJJZ-UHFFFAOYSA-N 446.467 4.032 5 20 IIBD COc1cc(/C=C\C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)ccc1OCc1c(C)noc1C 1331939542 QSAWICUANYLRFT-UITAMQMPSA-N 449.463 4.343 5 20 IIBD Cc1ccc(-c2csc(NC(=O)c3ccc4nnc(C(F)F)n4c3)n2)cc1[N+](=O)[O-] 1333060032 ABEKZEXUUITQIR-UHFFFAOYSA-N 430.396 4.259 5 20 IIBD C[C@H]1CCCN(C(=O)CCNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 1337645125 INTOEELVUURRJI-INIZCTEOSA-N 433.574 4.256 5 20 IIBD CC(=O)NCc1ccc(-c2csc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)n2)cc1 1341201987 SEMYTXXKQFQCAN-UHFFFAOYSA-N 449.492 4.017 5 20 IIBD O=[N+]([O-])c1ccccc1OCc1nnc(CSc2nncn2-c2cccc(Cl)c2)o1 1341396863 HAFRHOPMMIOFMH-UHFFFAOYSA-N 444.860 4.083 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)C3(F)CCC3)CCC2)cc1)c1ccc([N+](=O)[O-])cc1F 1790624764 LSXBVKSTHMJRKV-UHFFFAOYSA-N 429.423 4.374 5 20 IIBD CC(C)/C=C/C(=O)NC1(c2ccc(NC(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2)CCC1 1790827688 PMPLHADIDIFQCN-NYYWCZLTSA-N 447.495 4.431 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(C2(NC(=O)C3=COCCC3)CCC2)cc1 1792317243 GEYUDQVNNMZXJE-MDWZMJQESA-N 447.491 4.436 5 20 IIBD Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(F)c3[N+](=O)[O-])CC2)o1 1824684650 IACPNLDOTOIGBE-IBGZPJMESA-N 443.475 4.182 5 20 IIBD CCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 1831389367 RCCXZCSCULPQIP-OAQYLSRUSA-N 447.551 4.332 5 20 IIBD Cc1cc(CCCC(=O)N2CC3(CCCN3C(=O)CC3CCCC3)C2)c([N+](=O)[O-])cc1F 1842594288 LKHDNWNBZAEFDC-UHFFFAOYSA-N 445.535 4.149 5 20 IIBD Cc1oc(C(C)(C)C)cc1C(=O)N1CC2(CCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])C1 1845405033 PBLLHWDCOYKIJH-UHFFFAOYSA-N 443.475 4.064 5 20 IIBD CC(C)c1ccccc1NC(=O)COC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 9333134 XCZXNWROEOQIHU-UHFFFAOYSA-N 439.390 4.331 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nc(C2CC2)nn1-c1ccccc1 10080984 YFNGKSUDEWXNGQ-ZDUSSCGKSA-N 439.497 4.181 5 20 IIBD COc1cc(COC(=O)c2cnn(-c3ccccc3)c2C)c([N+](=O)[O-])cc1OC(F)F 12594946 VIRJXVKCNRELCX-UHFFFAOYSA-N 433.367 4.056 5 20 IIBD Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1C 18041384 QCFARPSURQBYCV-UHFFFAOYSA-N 438.528 4.159 5 20 IIBD C[C@@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)NC[C@H](C)c1ccccc1 23204582 FWUROIDXUFAPCJ-RBUKOAKNSA-N 442.515 4.006 5 20 IIBD CCOc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2C(C)C)c([N+](=O)[O-])c1 24667051 FTKKBPCRMVGMBM-UHFFFAOYSA-N 442.497 4.015 5 20 IIBD Cc1ccc(S(=O)(=O)NCc2ccccc2COCc2ccccc2)cc1[N+](=O)[O-] 32441910 RGIHAIDVPIYPBB-UHFFFAOYSA-N 426.494 4.099 5 20 IIBD NC(=O)c1ccc(-c2nc(CSCc3cc([N+](=O)[O-])cc4c3OCOC4)cs2)cc1 63649449 YRTKYUNGVOOIPK-UHFFFAOYSA-N 443.506 4.117 5 20 IIBD O=C(c1ccc(O)cc1)C1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 65308552 ZPJBNTBTQJXSJY-UHFFFAOYSA-N 437.477 4.159 5 20 IIBD CS(=O)(=O)c1ccc(N2CCC(c3nc4cc(Cl)ccc4o3)CC2)c([N+](=O)[O-])c1 301059460 BSWNMEQASLTCNF-UHFFFAOYSA-N 435.889 4.177 5 20 IIBD O=C(NC1CC1)c1ccc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 301187792 WLQWEHPFISYCMJ-NRFANRHFSA-N 429.904 4.090 5 20 IIBD C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)c1ncc(-c2ccccc2)o1 301338893 FFYZBJJBHBMJOM-OAHLLOKOSA-N 442.497 4.207 5 20 IIBD Cc1ccc(NC(=O)NC[C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3Br)C2)cc1 301525744 JAMIJGIJBQOCLU-AWEZNQCLSA-N 448.321 4.099 5 20 IIBD CS(=O)(=O)c1cccc(NCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)c1[N+](=O)[O-] 302215956 OWXRMWFGNBTTOS-HNNXBMFYSA-N 443.550 4.339 5 20 IIBD O=C(Nc1ccc2ccc(Cl)cc2n1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 410393107 SUPAMDTXLAEFHV-AWEZNQCLSA-N 430.873 4.101 5 20 IIBD O=C(COc1c(Br)cccc1[N+](=O)[O-])Nc1ccc2c(c1)OC1(CCCC1)O2 431242987 REQSOZWYJPTNPE-UHFFFAOYSA-N 449.257 4.416 5 20 IIBD O=C1CCc2cc(Cl)c(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)cc21 432077821 KIHJGICTKWEUSW-UHFFFAOYSA-N 434.779 4.197 5 20 IIBD COc1cc(CNc2nnc(-c3ccccn3)s2)c([N+](=O)[O-])cc1OCc1ccccc1 432754996 QUFRVMWMDBJVNM-UHFFFAOYSA-N 449.492 4.708 5 20 IIBD O=C(NCc1csc(CCc2ccccc2)n1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 434567255 XOCYCUWYZUTVMK-UHFFFAOYSA-N 434.477 4.020 5 20 IIBD O=c1c2ccccc2nc(SCc2nc3cc([N+](=O)[O-])ccc3o2)n1Cc1ccco1 434803006 NZJJTGVQKGLJRP-UHFFFAOYSA-N 434.433 4.380 5 20 IIBD O=C(NCc1ccccc1CN1CCCC1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 435940369 QNTDNQMPWMSQRK-UHFFFAOYSA-N 447.485 4.485 5 20 IIBD O=C(NCc1cc(Cl)ccn1)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 440420329 XHWMLJUULYQUHZ-UHFFFAOYSA-N 448.913 4.111 5 20 IIBD O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3nc(O)c4c(-c5ccccc5)csc4n3)C2)nc1 440499095 MILPUGODBSNEAV-HNNXBMFYSA-N 448.508 4.054 5 20 IIBD O=C(NCc1nccn1CCc1ccccc1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444232147 NSAZTBDGHWDALF-UHFFFAOYSA-N 440.478 4.190 5 20 IIBD CCOc1cnc(-c2noc(-c3ccc(N[C@@H](C)c4ccccn4)c([N+](=O)[O-])c3)n2)cn1 445302595 SIPUSXBGOUKTPJ-ZDUSSCGKSA-N 433.428 4.069 5 20 IIBD Cc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)sc1Cc1ccc(F)cc1 446103705 GCRTWVOFUMOJCH-UHFFFAOYSA-N 447.513 4.426 5 20 IIBD O=C(CCc1nc(-c2ccco2)no1)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] 446429975 RBFOENRIVSMJRX-UHFFFAOYSA-N 434.408 4.388 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(Cc2cnc(C(F)(F)F)s2)CC1 447741419 KWPSILXZVFOQNK-UHFFFAOYSA-N 440.369 4.411 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(Cc2ccc(Cl)cc2)CC1 460204829 NVHRHUQRQQGFOA-UHFFFAOYSA-N 440.935 4.239 5 20 IIBD O=C(Nc1ccc(Cl)cc1OC(F)F)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 460243977 XYWJKUXTERRNJY-UHFFFAOYSA-N 426.807 4.204 5 20 IIBD COc1ccccc1[C@H]1CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 462154495 IVKUTRKYTFTJGM-CQSZACIVSA-N 431.297 4.436 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1c(C)nn(CC(F)(F)F)c1C 462601948 CDSXMWLUFCSHIE-WBMJQRKESA-N 426.439 4.417 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C(=O)NCc2ccc(C)cc2)CC1 462780228 QIBPJKHRQLOBLO-NRFANRHFSA-N 437.540 4.027 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN([C@@H](C)c2cccc(OC)c2)CC1 462983399 BVMSPKWFYSGXEJ-ICSRJNTNSA-N 425.529 4.078 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(C(=O)Nc2cccnc2)cc1 462996016 MPZDRHCAALMFEB-IBGZPJMESA-N 432.480 4.127 5 20 IIBD C[C@H]1C[C@H]1c1ccc(CN(C2CC2)S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)o1 463679887 NEQBOAROYJEKOD-SUMWQHHRSA-N 427.482 4.213 5 20 IIBD Cc1[nH]nc(C(=O)N[C@H](c2cccc(F)c2)c2cccc(Br)c2)c1[N+](=O)[O-] 469147263 YQJQOAMTOPMEGH-HNNXBMFYSA-N 433.237 4.047 5 20 IIBD C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 469940720 ZZUKLXZQNGTRKF-SNVBAGLBSA-N 443.308 4.065 5 20 IIBD COc1ccc(CSCC(=O)N[C@H]2CCCO[C@@H]2c2ccc(C)cc2)cc1[N+](=O)[O-] 470256282 URHCCXXAFZKIDD-PGRDOPGGSA-N 430.526 4.182 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccnn3-c3cccc(F)c3)cc2)c(C)c1[N+](=O)[O-] 472275450 LDFAQPWOSGMGKI-UHFFFAOYSA-N 434.431 4.034 5 20 IIBD CC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1)c1ccccc1OCC(=O)N1CCCC1 473783954 DYXSNDQPRJQAMJ-LJQANCHMSA-N 440.500 4.177 5 20 IIBD CC[C@@H](O)CCNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 479558349 OCTBFEPLNMREFR-CQSZACIVSA-N 425.844 4.140 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3cccc(Oc4cccnn4)c3)cc2)c(C)c1[N+](=O)[O-] 479817058 QKOXTXDZZKAREH-UHFFFAOYSA-N 444.451 4.291 5 20 IIBD CCn1nc(C)c([N+](=O)[O-])c1N1CCC(N(C)Cc2cccc(C(F)(F)F)c2)CC1 479953742 FJWPDUODUKGWTC-UHFFFAOYSA-N 425.455 4.239 5 20 IIBD CCn1nc(C)c([N+](=O)[O-])c1N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 480024259 ZIPUQGOGIUBCMO-UHFFFAOYSA-N 438.463 4.465 5 20 IIBD O=[N+]([O-])c1ccc2nc(N3CCCN(Cc4c(Cl)ccc5cccnc45)CC3)[nH]c2c1 481187172 FJEPJVLZAXRYPH-UHFFFAOYSA-N 436.903 4.385 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N(CC(F)F)c1ccccc1 485243271 JGJNOOGJEFJKCK-UHFFFAOYSA-N 432.164 4.111 5 20 IIBD O=C(NC1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1)c1ccc(F)cc1 485402399 VOOCAGDDUZUULY-UHFFFAOYSA-N 438.434 4.334 5 20 IIBD CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)NCc1cccc([N+](=O)[O-])c1C 485717801 IFLMAUAHTJANJF-UHFFFAOYSA-N 426.473 4.460 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCN(C3CCOCC3)C[C@H]2C)cc1[N+](=O)[O-] 487138642 NUWUUJYENYGLAU-QGZVFWFLSA-N 435.590 4.058 5 20 IIBD Cc1c(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)nnn1-c1cccc([N+](=O)[O-])c1 487279944 XADOONSRUIMCOA-BHDDXSALSA-N 431.496 4.282 5 20 IIBD COC(=O)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1ccccc1 487867774 BPZFQEGTIYMZKM-FQEVSTJZSA-N 436.489 4.433 5 20 IIBD O=C(Nc1ccc(CCN2CCSCC2)cc1)c1cc([N+](=O)[O-])ccc1OC(F)F 488431448 OPUBJINWONOJQB-UHFFFAOYSA-N 437.468 4.040 5 20 IIBD CCn1c(SCc2csc(-c3ncccn3)n2)nnc1-c1ccc([N+](=O)[O-])cc1 489413095 RRMAMDCIWGWTCJ-UHFFFAOYSA-N 425.499 4.079 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O 489939234 ZWAHZZGLFNPYCV-UHFFFAOYSA-N 427.457 4.308 5 20 IIBD O=C(NCCn1cc([N+](=O)[O-])cn1)c1oc2ccccc2c1CSc1cccs1 491109169 SJINDVZUCKDYGL-UHFFFAOYSA-N 428.495 4.321 5 20 IIBD O=C(Nc1cc(F)c(Br)c(Cl)c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 492164273 YHYQXJVWPKXKSC-UHFFFAOYSA-N 446.664 4.215 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F 495015328 GHDAQMYLCWGULU-INIZCTEOSA-N 430.810 4.165 5 20 IIBD COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1Oc1ccc(C)nn1 498342383 FLAAKTCILUYLFB-UHFFFAOYSA-N 431.408 4.295 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccc(OC(F)F)c(OC)c1)C1CC1 503246556 PCQHCRUOYREEHD-UHFFFAOYSA-N 437.399 4.410 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2/C=C/c2ccccc2)c(Br)c1 503845009 JTCYCZZEYPJPDN-HVHJFMEUSA-N 437.315 4.224 5 20 IIBD CCOc1ccc(Br)cc1CN(C(=O)Cc1ccccc1[N+](=O)[O-])C1CC1 504781738 HREFFOLQXPVPOX-UHFFFAOYSA-N 433.302 4.490 5 20 IIBD CC1CCN(C2CCC(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)CC2)CC1 505141148 WBYQBIKEHVMCTO-UHFFFAOYSA-N 431.580 4.314 5 20 IIBD COc1cc(CN2CC(Cc3ccc(F)c(F)c3)C2)c([N+](=O)[O-])cc1OCC(F)F 505580429 GIFBFFFCAQAXCG-UHFFFAOYSA-N 428.382 4.200 5 20 IIBD CCCOc1cc(NC(=O)[C@H]2COc3ccc(OC)cc3C2)c([N+](=O)[O-])cc1OCCC 505883881 DFTKMGFGDOYFLA-MRXNPFEDSA-N 444.484 4.371 5 20 IIBD O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 506185334 AKKVSDXIFGXAJG-ZDUSSCGKSA-N 428.832 4.024 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 507381791 URLVPCKFARCFLS-UHFFFAOYSA-N 445.519 4.159 5 20 IIBD Cc1ccc(S(=O)(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)c([N+](=O)[O-])c1 507433648 JMLPUJMNKIYUJA-INIZCTEOSA-N 439.493 4.195 5 20 IIBD O=C(CC[S@](=O)Cc1coc(-c2cccc(Cl)c2)n1)Nc1ccccc1[N+](=O)[O-] 507703837 DHFJZBFTVDRCBG-LJAQVGFWSA-N 433.873 4.181 5 20 IIBD C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 508342491 LCNVGHVJYUOLDX-SQNIBIBYSA-N 425.533 4.013 5 20 IIBD O=C(CCCC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc(Cl)c(Cl)c1 509203005 NJUCZRNWGUTBNU-UHFFFAOYSA-N 439.299 4.315 5 20 IIBD CN(CCCc1cc(-c2ccccc2)no1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 509753158 XBMGAYWSZIJCJH-UHFFFAOYSA-N 435.889 4.157 5 20 IIBD COc1cc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)ccc1N1CCCC1=O 510048036 DDONCRNKPWHEIC-UHFFFAOYSA-N 426.473 4.173 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 510433492 CRSLYPVEDXOKLN-MRXNPFEDSA-N 433.333 4.336 5 20 IIBD CC(C)CN(C(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)C1CCN(C)CC1 511029786 MEJXIQHWRHYKFT-RTBURBONSA-N 430.593 4.270 5 20 IIBD COc1ccc(CSCC(=O)Nc2cccc3c2CN(CC(C)C)C3)cc1[N+](=O)[O-] 511394388 CQXCULDZDJRYFC-UHFFFAOYSA-N 429.542 4.447 5 20 IIBD CCOC(=O)c1cc(C(=O)N[C@@H](C)c2oc3ccc(OC)cc3c2C)cc([N+](=O)[O-])c1 517360355 ICUYOBJAGPUYDM-ZDUSSCGKSA-N 426.425 4.326 5 20 IIBD Cc1cc(CN(C)C(=O)NCc2ccccc2[N+](=O)[O-])cc(C)c1OCC(F)(F)F 517726971 ULQZDUBVYYVKJW-UHFFFAOYSA-N 425.407 4.494 5 20 IIBD COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2Br)sc2c1CCCC2 523497210 RWEVWALXUJECMK-UHFFFAOYSA-N 439.287 4.337 5 20 IIBD COc1ccc(CC(=O)N2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)cc1[N+](=O)[O-] 523692953 FGLRWRUYZFYCOL-GOSISDBHSA-N 436.512 4.483 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1cccc(C[S@@](=O)c2ccccc2)c1 523787704 QQFOYOYMSYWWRV-WJOKGBTCSA-N 438.509 4.136 5 20 IIBD O=C(Nc1ccnc(Oc2ccccc2Cl)c1)c1cc([N+](=O)[O-])cc2c1OCCO2 524022939 JCPUAADILONMKP-UHFFFAOYSA-N 427.800 4.459 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@H](C)c2ccc(OC(C)C)cc2)ccc1[N+](=O)[O-] 524688359 KEBZDTUHKQDBGC-VGOFRKELSA-N 439.512 4.172 5 20 IIBD CN(CC1(c2ccc(Br)cc2)CC1)C(=O)CCOc1ccccc1[N+](=O)[O-] 525467004 TUJSUHHFAYUGHE-UHFFFAOYSA-N 433.302 4.316 5 20 IIBD C[C@H]1CN(c2ccc(NCc3csc(-c4cccc([N+](=O)[O-])c4)n3)cn2)C[C@H](C)O1 527240331 UBOZTWMGPYUFOD-GJZGRUSLSA-N 425.514 4.339 5 20 IIBD CCCc1noc2nc(-c3ccco3)cc(C(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc34)c12 534008880 DNJYEDOWWSXVSE-UHFFFAOYSA-N 432.396 4.472 5 20 IIBD C[C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1nc(-c2ccccc2)no1 535545950 OMIRQHNYVJZWNO-CYBMUJFWSA-N 435.465 4.302 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCc2c(F)cc(F)cc21 535685437 JNTPVWLMFSRZON-UHFFFAOYSA-N 436.436 4.121 5 20 IIBD C[C@H](C(=O)Nc1cccc(Cl)c1)[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 536304445 ARGYPFBEFVPDME-XETJZTBLSA-N 433.873 4.179 5 20 IIBD Cc1c(C(=O)Nc2cccc(CCN3CCC(C)CC3)c2)nnn1-c1cccc([N+](=O)[O-])c1 537694878 XBIAUQNVSOHUHB-UHFFFAOYSA-N 448.527 4.011 5 20 IIBD COCCOc1c(Cl)cc(NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)cc1Cl 540242524 JWOQEYXZAOUMBJ-UHFFFAOYSA-N 445.255 4.196 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnn(Cc3nc(-c4cccc(Br)c4)no3)c2)c1 540857796 JYVCBPVLIXFOJC-UHFFFAOYSA-N 426.230 4.319 5 20 IIBD Cc1ccc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c(OC[C@@H]2CCCO2)c1 545122568 UBHDGJOQRQUPKJ-SFHVURJKSA-N 430.476 4.194 5 20 IIBD C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](c1ccc(Cl)cc1)c1ccn(C)n1 546575389 PXQWHSZADKFMKD-LHSJRXKWSA-N 427.892 4.078 5 20 IIBD CCOc1cccc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c1OC(F)F 547246046 XCGKOBCJKAHNKS-UHFFFAOYSA-N 426.391 4.328 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(-c4ccc(CSc5nc[nH]n5)cc4)n3)c2c1 547263352 KAYVIRAUYOCEBF-UHFFFAOYSA-N 433.453 4.127 5 20 IIBD Cc1cc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCO2)ccc1F 549502880 UTAWUAIOORCDIN-LJQANCHMSA-N 425.464 4.116 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCCCCC(=O)OC(C)(C)C 550266793 LXCFKUOFNFNYLZ-UHFFFAOYSA-N 429.311 4.298 5 20 IIBD COc1ccc([C@@H](CN[C@H](c2ccc([N+](=O)[O-])cc2)c2nccn2C)N2CCCCC2)cc1 552034181 IUGNESWLFUGNRM-DNQXCXABSA-N 449.555 4.243 5 20 IIBD CC[C@@H]1CN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C[C@@H](C)[S@]1=O 557578196 OQFNJAJQGBBFIE-OXZBVXRUSA-N 449.960 4.232 5 20 IIBD CCCOCc1ccccc1CNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 560178990 DTMQRCHPOREWJB-UHFFFAOYSA-N 427.501 4.074 5 20 IIBD CC(C)c1ccc(CCCNC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1 560225793 QBYNPFKGOPMRBI-UHFFFAOYSA-N 448.317 4.168 5 20 IIBD COc1cc(OCc2nc(Cc3ccc(Br)c(C)c3)no2)ccc1[N+](=O)[O-] 561402647 CELFEWMTJDDOHL-UHFFFAOYSA-N 434.246 4.227 5 20 IIBD CCCc1cc(=O)nc(/C(=C\c2cc(I)cc([N+](=O)[O-])c2)CC)[nH]1 561410845 BYLVQSQQPHBYCL-SDQBBNPISA-N 439.253 4.186 5 20 IIBD C[C@@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(NC(=O)c2ccccc2)c1 562095525 FMOPPUVXMQHHGD-MRXNPFEDSA-N 439.493 4.028 5 20 IIBD CC(C)N(Cc1ncc(-c2ccc3c(c2)OCO3)[nH]1)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 568943939 AQSRCXQTZQXWIJ-OAHLLOKOSA-N 436.468 4.254 5 20 IIBD CC(C)c1ccc(CN(C)C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1 569753461 UFBIGINPTOADPR-UHFFFAOYSA-N 434.290 4.078 5 20 IIBD Cc1cc(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cnc1N1CCCC[C@@H]1C 572924606 ZHVRMMFWMATPLI-INIZCTEOSA-N 425.489 4.104 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)NCCc2c[nH]c3cc(Cl)ccc23)cc1[N+](=O)[O-] 585757099 JUIQFOFCRRZSBM-UHFFFAOYSA-N 442.903 4.324 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2nc3ccccc3n2C(F)F)cc1OC 590644719 UDFAMPWTJGTZMA-LLVKDONJSA-N 434.399 4.238 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604276164 GOVXCSLVCAFCRE-VXGBXAGGSA-N 427.345 4.295 5 20 IIBD O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 608812302 JYFUCQQPUWJZAT-AWEZNQCLSA-N 439.459 4.360 5 20 IIBD CC(C)CN(CCN(C)C)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 609187977 WKXYNOGRGKWQKW-UHFFFAOYSA-N 449.555 4.036 5 20 IIBD O=[N+]([O-])c1cc2c(O)ncnc2cc1NC[C@@H]1CCCCN1Cc1cccc(Cl)c1 609464251 VKCSTLZDIMTQET-INIZCTEOSA-N 427.892 4.364 5 20 IIBD COC(=O)c1cc(C(=O)N2CCC[C@@H](Cc3cc(Cl)ccc3OC)C2)cc([N+](=O)[O-])c1 610159948 UTCDQPVOHVWOGZ-AWEZNQCLSA-N 446.887 4.138 5 20 IIBD CN(C(=O)[C@H](Cc1ccccc1)Nc1ncnc2ccc([N+](=O)[O-])cc12)c1ccccc1 611712180 HULTUXNRQPRKQP-QFIPXVFZSA-N 427.464 4.224 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H](Cn2cnc3ccccc32)C1 619544281 DFIYATPAOFWKGI-HZPDHXFCSA-N 442.903 4.304 5 20 IIBD CCCOc1ccc(COC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 726502671 JGVUZPLXCBTMKP-OAQYLSRUSA-N 426.469 4.040 5 20 IIBD O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CCCC[C@@H]1C1OCCO1 726920016 VTYMJGNHEKJHSF-LJQANCHMSA-N 445.903 4.228 5 20 IIBD C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)CCCO1 727324417 GNUBIIPZSVMBPI-LJQANCHMSA-N 437.540 4.305 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1csc(-c2ccccc2Cl)n1 727562990 DDBIWTMZCBOIJH-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD COc1cc(OCC(=O)OCc2csc(Nc3ccccc3C)n2)ccc1[N+](=O)[O-] 731718388 VRKTWCPJGVVWSG-UHFFFAOYSA-N 429.454 4.234 5 20 IIBD CC(C)(C)OC(=O)NC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 732021136 TZLXWBHQESYLCQ-KRWDZBQOSA-N 425.913 4.452 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 732195773 UOCRRRKSHALTRF-UHFFFAOYSA-N 440.500 4.247 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1cc(=O)c2cc(Br)ccc2[nH]1 735536956 VAQVXTMAZNDLJW-UHFFFAOYSA-N 437.633 4.209 5 20 IIBD COc1ccc(Br)cc1CS(=O)(=O)Cc1cc([N+](=O)[O-])ccc1Cl 735562047 HXHIIDJGQLLMKA-UHFFFAOYSA-N 434.695 4.134 5 20 IIBD CC[C@@H](OC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccc(F)cc1F 739268378 HXOXVGRSVLWFTA-MRXNPFEDSA-N 434.424 4.461 5 20 IIBD CCOC(=O)N(C)c1ccc(NC(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])cc1 740444792 PFMMYIVJLUYFJI-UHFFFAOYSA-N 429.477 4.120 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1Cc1ccccc1)c1ccc(N2CCOC2=O)cc1 741476003 NJIFVVRZNOBJEN-UHFFFAOYSA-N 432.432 4.404 5 20 IIBD CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)Sc1ccc(Br)cc1 743722631 PVFPBEMVFRPPGX-UHFFFAOYSA-N 425.304 4.364 5 20 IIBD O=C(NS(=O)(=O)c1c(Cl)cccc1Cl)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 744014028 JMKUPEDPUHKKNA-UHFFFAOYSA-N 443.186 4.039 5 20 IIBD O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCCN(c2ncnc3sccc23)C1 744153332 VEVPVSFSPCMJSB-CYBMUJFWSA-N 432.889 4.213 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN(Cc1ccccc1F)c1ccc2nc(O)[nH]c2c1 744406863 OQUOAGDGAGJOPK-UHFFFAOYSA-N 449.442 4.270 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2cccc(OCC=C(C)C)c2)c([N+](=O)[O-])c1 745343274 UXFRQKUUIMAZFU-HNNXBMFYSA-N 428.441 4.132 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)c1 745389315 LAPDBIRGVYMXSF-UHFFFAOYSA-N 436.468 4.182 5 20 IIBD Cc1cc(F)cc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 745567375 ZSRGEFAMUCGGQG-GFCCVEGCSA-N 429.429 4.350 5 20 IIBD O=C(OCC(=O)N1CCC[C@@H]2CCCC[C@H]21)c1csc(-c2cccc([N+](=O)[O-])c2)n1 747962608 QSKFTWPXQNJQCP-KBXCAEBGSA-N 429.498 4.056 5 20 IIBD COc1ccccc1-n1c(SC[C@H](O)c2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O 749637865 AZHWRZNALDLRFB-FQEVSTJZSA-N 449.488 4.128 5 20 IIBD O=C(CCCOc1cccc(Br)c1)OCc1nc2cc([N+](=O)[O-])ccc2o1 751618335 RDRLBEBWRIVZPU-UHFFFAOYSA-N 435.230 4.401 5 20 IIBD CCSc1ccc(CC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 751917888 UOOFRULBPWKHGO-UHFFFAOYSA-N 442.415 4.450 5 20 IIBD COc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC1CCCC1 751976243 OKCLZRRVADVKTF-CQSZACIVSA-N 428.441 4.109 5 20 IIBD Cc1cc(F)cc(C(=O)O[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)c1[N+](=O)[O-] 752553876 LDMGIOXKLWIHOV-OAHLLOKOSA-N 429.448 4.217 5 20 IIBD CC(C)OCc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)ccc1O 752974024 BBFGDIIYPPTDRJ-UHFFFAOYSA-N 427.226 4.379 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(Cl)c(Br)c1 753424604 CXVMBBRDIJQUOL-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD Cc1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c(C)n1-c1nccs1 754990685 TYOJUKBNHTVPGI-UHFFFAOYSA-N 437.836 4.291 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)O[C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 755679567 OTVRHIUQWIABMN-SECBINFHSA-N 446.765 4.460 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)CCc2cccc([N+](=O)[O-])c2)c(Br)c1 756529160 RZVANRBNOGHHTB-ZDUSSCGKSA-N 435.274 4.169 5 20 IIBD O=C(CN(Cc1ccccc1)C[C@@H](O)c1ccsc1)Nc1ccc(Cl)cc1[N+](=O)[O-] 756899623 KXXKULKHPBTKGP-HXUWFJFHSA-N 445.928 4.484 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 756996329 GGMZPKHYKZIQQL-QGZVFWFLSA-N 433.892 4.173 5 20 IIBD Cc1cc(F)cc(C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c1[N+](=O)[O-] 758488333 NUVWDCSOBBWJHJ-MRXNPFEDSA-N 425.382 4.065 5 20 IIBD COc1ccc(-c2ncc(C(=O)O[C@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)s2)cc1 759945357 HPDDFXNJWPDQPA-CVEARBPZSA-N 428.470 4.264 5 20 IIBD Cc1ccc(N2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)CC2)cc1C 760023553 NYRHACIIQDXQOU-UHFFFAOYSA-N 436.281 4.076 5 20 IIBD Cc1oc(-c2ccccc2)nc1Cc1noc(-c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)n1 761490710 OKLMTZMQAUAHOG-UHFFFAOYSA-N 428.408 4.385 5 20 IIBD Cc1ccc(-c2noc(Cn3c(-c4ccc(F)cc4)c(C)sc3=O)n2)cc1[N+](=O)[O-] 761639575 XYABETPOBFOQPO-UHFFFAOYSA-N 426.429 4.339 5 20 IIBD CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])c2nsnc2c1 762969046 QMYWNFKXHJUODQ-NWDGAFQWSA-N 428.470 4.297 5 20 IIBD Cc1sc2ncn(NC(=O)c3cc(F)c([N+](=O)[O-])cc3F)c(=O)c2c1-c1ccccc1 763375158 YNHDTBVBFHZBOP-UHFFFAOYSA-N 442.403 4.004 5 20 IIBD COc1cccc(-c2nc(COC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)cs2)c1 763871292 USXSGLJQZQPKEM-UHFFFAOYSA-N 436.449 4.270 5 20 IIBD O=C(OCc1nncn1-c1ccccc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 764334973 AIVSHRKHONZUCQ-UHFFFAOYSA-N 429.436 4.145 5 20 IIBD CC1=C(C(=O)N(C)C)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1c1ccc(Cl)cc1F 767147177 YNNNVYQYMTZNNT-SFHVURJKSA-N 448.907 4.185 5 20 IIBD COc1cccc(C(=O)O[C@@H](C)C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1[N+](=O)[O-] 769601575 SNFFKWMNZUYGLJ-ZDUSSCGKSA-N 428.441 4.016 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC(OCC2CCCCC2)CC1 769907745 SWDSMWBEWDPVHE-UHFFFAOYSA-N 430.954 4.307 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 770008342 WWQDIMWMOLDWFA-UHFFFAOYSA-N 441.246 4.031 5 20 IIBD Cc1c(C(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 777091621 CNZNJQQMMSWSSU-UHFFFAOYSA-N 439.178 4.043 5 20 IIBD CC1(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCN(C(=O)OC(C)(C)C)CC1 778074287 OKDACPDEGBXXGV-UHFFFAOYSA-N 443.953 4.246 5 20 IIBD COC(=O)c1ccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1F 780916863 UDIPIOGZTKTFGS-UHFFFAOYSA-N 426.350 4.138 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)OCc2ccc([N+](=O)[O-])c(C)c2)CC1 781170684 IBLGKLLDGOMQNR-UHFFFAOYSA-N 446.887 4.161 5 20 IIBD C[C@@H](OC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1nc(C2CC2)cs1 781187168 ZUVLYQSUVILUPB-SNVBAGLBSA-N 431.499 4.126 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H](COC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 781475468 ZYDIVXGNTNSKJS-MRXNPFEDSA-N 436.508 4.485 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc2nc(N3CCCC3)sc2c1 781596066 YFBSOUCCZLCIHV-UHFFFAOYSA-N 441.469 4.284 5 20 IIBD CC1CCN(c2ccc(C(=O)O[C@@H](C)c3ccc(S(C)(=O)=O)cc3)cc2[N+](=O)[O-])CC1 781938773 IBJKMRMHSBXUJI-INIZCTEOSA-N 446.525 4.153 5 20 IIBD C[C@@H](NC(=S)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc(Cl)cc1Cl 782386962 YVYYFSGEAFITIF-LLVKDONJSA-N 428.345 4.371 5 20 IIBD Cc1c(C)n(C[C@H]2CCCO2)c2ncnc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c12 782573478 BLRCPFVXUHBOON-CQSZACIVSA-N 429.864 4.041 5 20 IIBD CCCN(Cc1ccccc1)C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br 784642855 BTBWQIKENKWWBW-UHFFFAOYSA-N 434.290 4.043 5 20 IIBD O=C(COC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccccc1SC(F)F 785946928 DCGPMVVCVUOMPH-UHFFFAOYSA-N 430.816 4.287 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC(c2ccccc2C(F)(F)F)CC1 786793817 RCVACXVOPGEMEO-UHFFFAOYSA-N 428.432 4.401 5 20 IIBD O=[N+]([O-])c1ccc(Br)c(OC[C@@H](O)c2ccc(F)c(Br)c2)c1 787252631 LCQNBNJSKJYWEX-CYBMUJFWSA-N 435.043 4.371 5 20 IIBD CC(C)(C)C(=O)NC1CCC(C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 789201874 DVTHNUMMJQBHTA-UHFFFAOYSA-N 429.473 4.014 5 20 IIBD COc1ccc(CN(C)C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])cc1OC(F)F 790532089 LRNOPHSSDZYPQI-UHFFFAOYSA-N 432.782 4.198 5 20 IIBD Cc1ccc(-n2ncc(NC(=O)[C@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)c2C(C)C)cc1 791189992 GUFGEYZXBHAHOE-OAQYLSRUSA-N 433.468 4.344 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N2CC=C(c3ccc(Cl)nc3)CC2)cc1[N+](=O)[O-] 793016500 UKWHXLRRXIKHAQ-UHFFFAOYSA-N 442.903 4.195 5 20 IIBD CO[C@@H]1CCC[C@H](CC(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)C1 793119412 XRTYKJVVISGKGX-HFSMHLIXSA-N 432.517 4.118 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 794035382 XATFFXOVPPLXDT-KRWDZBQOSA-N 447.532 4.103 5 20 IIBD O=C(NC[C@@H]1CCCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1)OCc1ccccc1 794675268 XDSZAGADEQBICJ-FQEVSTJZSA-N 449.511 4.054 5 20 IIBD O=[N+]([O-])c1cccc(/C(O)=C(/C(=S)NCCCCC(F)(F)F)[n+]2ccccc2)c1 794849448 YSRVOKFSYQBPEZ-UHFFFAOYSA-O 426.440 4.416 5 20 IIBD COc1c(C(=O)OCC(=O)c2cc(C)n(Cc3cccs3)c2C)cccc1[N+](=O)[O-] 796308848 KEUWIONQALOBPZ-UHFFFAOYSA-N 428.466 4.171 5 20 IIBD O=C(NC1CCCCC1)OC[C@H]1CCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 796684273 RLABPBONVFQEST-HXUWFJFHSA-N 428.489 4.273 5 20 IIBD Cc1cc(OCC(=O)OCc2csc(COc3ccc(F)cc3)n2)ccc1[N+](=O)[O-] 797493737 MWPYWXNPDPURPI-UHFFFAOYSA-N 432.429 4.200 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 800143952 OSOBUAGPIIQVDC-UHFFFAOYSA-N 433.490 4.428 5 20 IIBD O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)C1(c2cc(F)cc(Br)c2)CC1 803789612 DGNCKYSQRQVWIT-UHFFFAOYSA-N 435.205 4.413 5 20 IIBD CC[C@@H](c1ccccc1OC)N(C)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 805144651 GKZVEPIIMKJCEU-AWEZNQCLSA-N 443.319 4.138 5 20 IIBD CN(C)C(=O)Sc1cc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)ccc1Cl 805437865 QEBTYOPJFLYJEK-UHFFFAOYSA-N 433.877 4.010 5 20 IIBD O=[N+]([O-])c1ccc(N2CCCCC2)c(-c2nc(-c3ccc(Br)cn3)no2)c1 809454080 WWCNXMIGUDYVEA-UHFFFAOYSA-N 430.262 4.460 5 20 IIBD COc1ccc([C@@H](O)C2CCN([C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CC2)cc1 812858828 CUZGRSGCCLNWFE-SPLOXXLWSA-N 447.919 4.029 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OCc2ccc(C(C)C)nc2C)ccc1[N+](=O)[O-] 815202694 XLGXLCFUJJDXFE-OAQYLSRUSA-N 425.485 4.078 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C)C(=O)Nc1cccc2ncccc12 856620411 MYARDPPHQFIGDB-KGLIPLIRSA-N 425.466 4.194 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)O[C@@H](C)C(=O)NC2CCCCC2)cc1 915443096 YBUPJJZPFLWASV-HNNXBMFYSA-N 442.468 4.390 5 20 IIBD CC(C)(C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Br)cc1 915586375 XNDABCYDTWQJDJ-UHFFFAOYSA-N 446.257 4.428 5 20 IIBD COCCNC(=O)/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc2ccccc2[nH]1 916155087 HSDXPGZXAHTBBR-JXAWBTAJSA-N 432.436 4.034 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](Cn1cncn1)c1ccc(Cl)cc1 917401821 MBVBHLGBVYJWPU-ACJLOTCBSA-N 432.889 4.305 5 20 IIBD CC(C)Oc1ccc([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)cc1 917904421 CJCCVEOYSDOBRH-LBPRGKRZSA-N 443.319 4.184 5 20 IIBD COc1ccccc1OCCN(C)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 918362352 IBEXQZLTIFLYCW-UHFFFAOYSA-N 435.480 4.367 5 20 IIBD O=C1CC[C@]2(C(=O)Nc3cc([N+](=O)[O-])c(F)cc3F)Sc3ccc(Cl)cc3N12 920817514 YQABGAGRQNTXTM-QGZVFWFLSA-N 425.800 4.094 5 20 IIBD Cc1cc(I)ccc1NC(=O)COc1ccc([N+](=O)[O-])c(Cl)c1 921142164 FKIJZCKXLORZCG-UHFFFAOYSA-N 446.628 4.179 5 20 IIBD CCOc1ccc(-c2nnc(Cc3ccc([N+](=O)[O-])cc3Br)o2)cc1OC 1118061126 PSYMFHLGKYKLKL-UHFFFAOYSA-N 434.246 4.405 5 20 IIBD CC(C)(C)OC(=O)N[C@H](c1ccccc1)c1noc(CNc2ccccc2[N+](=O)[O-])n1 1321814316 JSAPUHIUDZINLP-GOSISDBHSA-N 425.445 4.204 5 20 IIBD O=C(CSc1ncc(-c2ccccc2)o1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 1322077086 IUYZFVYBTHVVQJ-UHFFFAOYSA-N 427.438 4.142 5 20 IIBD CCCCCn1nc(-c2nnc(COc3cccc([N+](=O)[O-])c3)o2)c2ccccc2c1=O 1322295865 ADLOYOGLHOSTBC-UHFFFAOYSA-N 435.440 4.124 5 20 IIBD COC(=O)[C@@H](OC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccccc1Cl 1324742194 PCYNYQDZSSWSJD-NSHDSACASA-N 434.651 4.143 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CNCCCS(=O)(=O)c2ccccc2)o1 1327213495 UKHSFBIDENHNPY-UHFFFAOYSA-N 434.901 4.462 5 20 IIBD CCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3nc(OC)ccc3[N+](=O)[O-])cc2)CCC1 1788854364 KHXXCMXXQHBRKK-UHFFFAOYSA-N 440.500 4.182 5 20 IIBD C[C@@H]1C[C@]1(C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc([N+](=O)[O-])cc3F)CCC2)cc1 1790424445 HZNCEEWZQKOTRZ-CMJOXMDJSA-N 439.487 4.457 5 20 IIBD CO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3C)cc2)CCC1 1790773570 CLRGKGIQWZCRMY-AWEZNQCLSA-N 445.903 4.339 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1)c1cccc(Cl)c1 1820497252 DNJMVVQTEKJKNG-OAHLLOKOSA-N 443.847 4.184 5 20 IIBD CC(C)(C)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])n[nH]1 1823500717 IBLVNSXKENTTTP-CVTTXWKISA-N 439.516 4.460 5 20 IIBD CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)CCC1 1823709330 GEWNHJWRQHCGHC-HXUWFJFHSA-N 431.508 4.157 5 20 IIBD Cc1c(C(=O)N2CC3(CCCN3C(=O)CCc3ccccc3)C2)cc(Cl)cc1[N+](=O)[O-] 1842644542 LTFNLOQZUUKOLI-UHFFFAOYSA-N 441.915 4.006 5 20 IIBD C[C@@H](OC(=O)CCCc1ccc(Br)s1)C(=O)Nc1ccccc1[N+](=O)[O-] 16257285 DNLQYCYDFUYZTN-LLVKDONJSA-N 441.303 4.312 5 20 IIBD CC(C)[C@@H](NC(=O)COc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)OCCCO2 19047032 OJPULOBHACFSRB-OAQYLSRUSA-N 434.876 4.302 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(Cc2nc3ccccc3s2)CC1 22654397 YUHXNAWADLGGGU-HNNXBMFYSA-N 442.566 4.030 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 26877680 WDLFJJSBZVFTCJ-UWVGGRQHSA-N 434.358 4.091 5 20 IIBD C[C@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(C(F)(F)F)cc1 29245869 JGQVEUSRHDTMNM-LBPRGKRZSA-N 437.374 4.179 5 20 IIBD COc1cc(Cl)ccc1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 109265151 ZFKWKRHVFWTFGR-UHFFFAOYSA-N 443.809 4.238 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(NC(=O)N2CCCCCC2)cc1 303025857 MXVBCMCVTGRZOE-UHFFFAOYSA-N 425.489 4.443 5 20 IIBD C[C@H]1C[C@H](N(C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCN1Cc1ccccc1 303752514 MDTMSYLKSOCRNG-QFBILLFUSA-N 430.936 4.172 5 20 IIBD C[C@H](Cc1ccc(O)cc1)NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 427705250 NOYHISMDZNZRFJ-LLVKDONJSA-N 435.267 4.154 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nnc(SCc2cccs2)s1 431318988 NFHBNARVDZIBBT-UHFFFAOYSA-N 442.569 4.218 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccc(C(=O)N2CCCCCC2)cc1 431584137 VBRIJDIFRQAXKG-UHFFFAOYSA-N 448.479 4.177 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3cc(Cl)ccc3N(C)C)CC2)ccc1[N+](=O)[O-] 432136961 FSOWEXBCLMREFQ-UHFFFAOYSA-N 447.923 4.067 5 20 IIBD C[C@@H]1CCCN(CCCCNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 436098960 KWEMBWQOPPXBGD-OAHLLOKOSA-N 427.495 4.201 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 438057077 TYSGNUKEEARQIL-UHFFFAOYSA-N 445.401 4.419 5 20 IIBD O=C(NCc1ccncc1OCC(F)(F)F)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 439387171 OSUPMAJTFCZXRP-UHFFFAOYSA-N 438.284 4.271 5 20 IIBD CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 439517825 GIJQXVDNMBWOOT-MRXNPFEDSA-N 443.466 4.371 5 20 IIBD Cc1ccc(OCc2ccccc2)c(NC(=O)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 443143946 OFUNBSSROFVRQL-QGZVFWFLSA-N 433.464 4.298 5 20 IIBD O=C(c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2)N1CC[C@H](O)C1 443214879 WINSFIFJDQOFGH-FLXZHSAZSA-N 429.476 4.227 5 20 IIBD O=C(Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1)c1cc2ccccc2c(=O)o1 443528834 FTRXSOSOQOAQKH-UHFFFAOYSA-N 442.387 4.399 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc([C@H](C)SCC(=O)Nc3ccc(C)cc3)n2)c1 445581852 DDLCDPRVJHXVOU-AWEZNQCLSA-N 442.497 4.319 5 20 IIBD Cc1ccc(-c2nc(-c3nc(CC(=O)NCc4ccc([N+](=O)[O-])cc4)no3)cs2)c(C)c1 445722672 JQHHXDVHUPOPAB-UHFFFAOYSA-N 449.492 4.244 5 20 IIBD CN(C(=O)c1cccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1)c1ccccc1 446820263 APZRTSGRZYFYNY-UHFFFAOYSA-N 430.464 4.462 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H](CN1CCCC1)c1ccccc1 462456635 GSPLZCGGTMCCEV-INIZCTEOSA-N 444.340 4.017 5 20 IIBD Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cc1 464055648 WWOGFMCXNWFATG-VQTJNVASSA-N 446.507 4.166 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CC=C(c3cccc4ccccc34)C2)c2ncccc12 464196140 AXIDGCFYFCSEJJ-UHFFFAOYSA-N 431.473 4.384 5 20 IIBD NC(=O)c1ccc(CNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])cc1 464527510 KSQWBFVWHANVLB-UHFFFAOYSA-N 441.896 4.428 5 20 IIBD COc1ccc(N(C)S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1Cl 466291044 WFLWTZPZRISRTD-UHFFFAOYSA-N 449.710 4.153 5 20 IIBD C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 466436780 QMTZSTXTYKQYJZ-JUCITSJASA-N 438.958 4.381 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CCOc2c(-c3ccccc3)cccc21 469348656 XCWCJQBHYWEDIV-UXHICEINSA-N 449.511 4.134 5 20 IIBD C[C@@H](CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 470239656 MUUVWISFWAASKO-ZDUSSCGKSA-N 433.390 4.118 5 20 IIBD COCCN(C)CCCC1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 475212996 WNQVKOAHIKKEBI-UHFFFAOYSA-N 446.470 4.216 5 20 IIBD CS(=O)(=O)c1ccc(NCc2nc(-c3cc4ccccc4o3)cs2)c([N+](=O)[O-])c1 475725874 PQOAFIIRQRHSFI-UHFFFAOYSA-N 429.479 4.480 5 20 IIBD COc1cc(OCC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)ccc1[N+](=O)[O-] 475892400 NZBLXKVXBFNSTC-MRXNPFEDSA-N 427.438 4.015 5 20 IIBD COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)c2cc(OC)ccc2[N+](=O)[O-])c1 479093483 WGFGFUJUSJIOCF-UHFFFAOYSA-N 436.420 4.221 5 20 IIBD CO[C@@H](c1ccccc1Cl)[C@H](C)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 479760961 ZHLWNUGKBSVBLV-RNODOKPDSA-N 428.876 4.155 5 20 IIBD C[C@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1nc2ccccc2n1C(F)F 479973472 VRLAJUCZVRIXTE-LBPRGKRZSA-N 426.383 4.016 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 480566513 KCIZWKKOBCDEQL-QGZVFWFLSA-N 447.601 4.454 5 20 IIBD CCN([C@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 481439566 COFIHCVZQKHWKO-JOCHJYFZSA-N 425.510 4.407 5 20 IIBD COCCOc1ccc(NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])cc1Cl 483437755 LMIXUCDVSFDXPE-UHFFFAOYSA-N 426.878 4.256 5 20 IIBD C[C@@H](Sc1ccc(Br)cc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)OCCO2 485274202 LPWWWQQARBJWCO-SNVBAGLBSA-N 439.287 4.248 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc(Cc2ccccc2F)s1 487476093 RAJNIXNNBGZDOQ-UHFFFAOYSA-N 448.501 4.167 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)c1C 488407546 CHXAHPQWYOINFC-UHFFFAOYSA-N 438.918 4.108 5 20 IIBD COc1cc(-c2nnc(Sc3ccc([N+](=O)[O-])c4cnccc34)o2)cc(OC)c1OC 497726385 BDJKSSHZAKKNJQ-UHFFFAOYSA-N 440.437 4.370 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCC[C@@H]3[C@@H]3C[C@H](C)CC[C@@H]3O)cc2[N+](=O)[O-])CC1 500349402 QZZNTLDYDVWDMW-JWRIFHQMSA-N 429.561 4.233 5 20 IIBD C[C@@H]1[C@H](c2ccc(Br)cc2)OCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] 501055243 ANGCGPCFAWTQEE-JLTOFOAXSA-N 448.317 4.148 5 20 IIBD Cc1noc(C)c1[C@H](C)CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 502096089 UQPXDHFFYDGJBQ-SECBINFHSA-N 438.271 4.226 5 20 IIBD C[C@H](Sc1ncccc1[N+](=O)[O-])C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 503252689 RBDMWICTMXSSPN-LBPRGKRZSA-N 428.495 4.423 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@H](Oc2ccccc2Cl)C1 503482517 MLVPSUJDAKMUFH-LBPRGKRZSA-N 425.666 4.304 5 20 IIBD Cc1c(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)cccc1[N+](=O)[O-] 507003947 WYSJBDUZCWXFCE-UHFFFAOYSA-N 433.302 4.144 5 20 IIBD C[C@H]1CCCN(Cc2ccc(NC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)cc2)C1 507367288 KUOFMDUFHYPVKN-KRWDZBQOSA-N 433.512 4.480 5 20 IIBD O=C(Nc1ccccc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 509429440 KMWAZLFMJZFMOB-LJQANCHMSA-N 433.468 4.287 5 20 IIBD CCOc1ccc(C2=CCN([C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)CC2)cc1 509497721 CENAMNQTMMPPSJ-INIZCTEOSA-N 425.485 4.118 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2cc(C(F)(F)F)ccc2Cl)CC1 509800098 WGGWAXKBTICBHV-UHFFFAOYSA-N 433.839 4.287 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 510454900 DBQFMVDQQMKIDF-INIZCTEOSA-N 433.333 4.336 5 20 IIBD COc1ccc([C@H]2CCCCCN2C(=O)CN(C)CCc2ccccc2[N+](=O)[O-])cc1 511126959 RFPQNSHZWFAQGW-JOCHJYFZSA-N 425.529 4.222 5 20 IIBD O=C(Nc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Cl)cc1 511204973 LVBJFYSKWODLRN-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD C[C@H]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3I)sc2C1 511498751 PCXQIVRKEORPJJ-QMMMGPOBSA-N 443.266 4.033 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)c(C(F)(F)F)c1 512986640 XKZZGOSNLQLYOR-CXAGYDPISA-N 444.431 4.060 5 20 IIBD CO[C@H](C)CN(C)[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 513258488 WXRPJGFCARRGRR-FOIQADDNSA-N 440.525 4.365 5 20 IIBD C[C@H]1CCCN(Cc2ccccc2CN[C@H](c2cccc([N+](=O)[O-])c2)c2nccn2C)C1 514092904 HAGJWXUNIPUUOW-YADARESESA-N 433.556 4.439 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N(Cc1cccs1)C[C@@H]1CCCO1 514561646 RHCUKKNBOLHMHV-AWEZNQCLSA-N 444.431 4.419 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2)C[C@@H](C)O1 515727158 FLNAIDZSYHIOOR-ZIAGYGMSSA-N 439.493 4.311 5 20 IIBD COc1ccc(CCC2CCN(C(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 515944401 PSRMAHFGGGXPOB-UHFFFAOYSA-N 445.903 4.067 5 20 IIBD CC(C)N(Cc1cccc(Br)c1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 517616626 BYAHXCJOFSKSKT-UHFFFAOYSA-N 436.306 4.356 5 20 IIBD CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 518891982 VGXFLAOMQMXDJS-UHFFFAOYSA-N 434.330 4.078 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)[C@@H](C)OC[C@@H]1CCCO1 519017823 PBNUSCWNOKYWIH-CJNGLKHVSA-N 448.497 4.023 5 20 IIBD COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C)cc1OCc1cn2ccccc2n1 519099006 MNSFGIDVWZYFSK-UHFFFAOYSA-N 432.436 4.391 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(NCc2csc(Br)c2)c([N+](=O)[O-])c1 519873890 BOOMKPABOWBIGW-UHFFFAOYSA-N 448.364 4.061 5 20 IIBD COCCOc1c(Cl)cccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 520010233 VUUBZUBDPBTUNM-LLVKDONJSA-N 429.256 4.333 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)ccc1[N+](=O)[O-] 520732890 VTPRLAWYVCQYQY-WMLDXEAASA-N 444.557 4.139 5 20 IIBD O=C(NCC1(c2ccccc2Cl)CCOCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 521570784 OLGNAYILPQLXTN-UHFFFAOYSA-N 443.931 4.327 5 20 IIBD COc1cc(OCC(=O)NCc2ccc(OC(C)C)cc2C(F)(F)F)ccc1[N+](=O)[O-] 522564206 TUXJGJOVUSRFBN-UHFFFAOYSA-N 442.390 4.105 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1 522577702 XGDLGNJIFBWBGO-AWEZNQCLSA-N 442.859 4.327 5 20 IIBD Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 523955810 LYLAJOMVAIFGLF-UHFFFAOYSA-N 431.876 4.200 5 20 IIBD COc1ccc(CC(=O)Nc2ncccc2OCc2cccc(Cl)c2)cc1[N+](=O)[O-] 530594193 OWSLDHQUNLEJQF-UHFFFAOYSA-N 427.844 4.412 5 20 IIBD CC(C)(COc1ccc(C(F)(F)F)cn1)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 533990281 CFRQZJUFHLXWTR-UHFFFAOYSA-N 436.390 4.006 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(F)ccc1SC 535661371 IQGPOJBOBUGNLS-UHFFFAOYSA-N 438.502 4.041 5 20 IIBD COc1ccc(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1OCc1ccc([N+](=O)[O-])cc1 537631847 ZJQXUIXDCVPGEZ-XLIONFOSSA-N 440.418 4.070 5 20 IIBD COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 537885369 CRQHPJPZZQMFQL-YJYMSZOUSA-N 427.482 4.233 5 20 IIBD CCOc1cc(Br)c(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1OCC 538873485 UTHJSLNIBITCBV-UHFFFAOYSA-N 439.262 4.042 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)C[C@H](O)COc1ccccc1C(F)(F)F 539877600 RGEKVGKRFZZJKX-HNNXBMFYSA-N 440.418 4.051 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 543921324 KLPHDLBZDBANED-SFHVURJKSA-N 447.369 4.081 5 20 IIBD CCc1ccc([C@@H](NC[C@@H](O)COc2ccc(F)c(F)c2)c2ccc([N+](=O)[O-])cc2)o1 544361160 YEIONNRPKLFNME-ZHRRBRCNSA-N 432.423 4.147 5 20 IIBD C[C@@H](C(=O)N1C[C@H](CC(=O)N(C)C)c2cc(Cl)ccc21)c1ccc([N+](=O)[O-])cc1F 544399999 FUIDLMORRLBESX-OLZOCXBDSA-N 433.867 4.100 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3ccncc3Br)n2)c(Br)c1 545743684 HFMWHPSSBXKXEI-UHFFFAOYSA-N 440.051 4.156 5 20 IIBD O=C(c1cccc2ccccc12)N1CCC(c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)CC1 545787433 VVCWXKJEIMLMSD-UHFFFAOYSA-N 443.463 4.137 5 20 IIBD CCCc1c(NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])cnn1-c1cc(C)ccn1 546198086 RLISQDKNIKTJIW-UHFFFAOYSA-N 441.513 4.419 5 20 IIBD COc1cc(CN2CCN(c3cncc4ccccc34)CC2)c([N+](=O)[O-])cc1OC(F)F 549392926 DXZSVEMWBSUPPH-UHFFFAOYSA-N 444.438 4.075 5 20 IIBD CCOC(=O)C1CCC(N(CC)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 549573488 FHZORNFWCYJQFW-UHFFFAOYSA-N 445.438 4.267 5 20 IIBD C[C@H]1CN(c2cccc(F)c2)CCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 553646373 PHSBJBWISIANDV-AWEZNQCLSA-N 426.473 4.208 5 20 IIBD O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 556358112 NUMAFQMBEGIBBO-GOSISDBHSA-N 444.431 4.060 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(N3CCOCC3)c(F)c2)no1 564248795 FKYLPAVMTMCEJR-INIZCTEOSA-N 426.448 4.357 5 20 IIBD O=C([C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N(Cc1ccccc1Cl)CC1CC1 568426494 GDPBDMFJOPMHQJ-KRWDZBQOSA-N 447.944 4.353 5 20 IIBD COc1cc(Cc2noc(C[C@H](C)Cc3ccccc3OC)n2)c([N+](=O)[O-])c(OC)c1 569432267 HMBHXWYDGBGMTK-CQSZACIVSA-N 427.457 4.016 5 20 IIBD CC[C@@H](C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)c1cccc(C(F)(F)F)c1 570998343 BEWGOMJAKUIVKW-QGZVFWFLSA-N 449.429 4.092 5 20 IIBD C[C@H](C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1)c1cccc([N+](=O)[O-])c1 573781369 VANAQZMOSZLQBE-INIZCTEOSA-N 431.920 4.011 5 20 IIBD C[C@H](CCCC(F)(F)F)NC(=O)c1cc(I)cc([N+](=O)[O-])c1 574581679 RSZUBTXSRQIKBD-MRVPVSSYSA-N 430.164 4.050 5 20 IIBD C[C@@H](C(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 583727326 BOFFUUHUXUJLNT-QGZVFWFLSA-N 438.505 4.452 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2cc(Br)ccc2F)no1 590277641 INDYERACSSFJMH-VIFPVBQESA-N 435.209 4.037 5 20 IIBD Cc1c(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)nnn1-c1cccc([N+](=O)[O-])c1 594745445 ZTMXVZDJUDXVOP-UHFFFAOYSA-N 435.440 4.168 5 20 IIBD CN(CC(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)Cc1ccccc1[N+](=O)[O-] 603874799 VPJTYLDDDGREAV-QFIPXVFZSA-N 442.519 4.456 5 20 IIBD CCOC(=O)c1c(C)[nH]c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)c1C 603996993 LDNQAJXMKCLPCZ-UHFFFAOYSA-N 428.470 4.401 5 20 IIBD COc1ccc(CNC(=O)NCc2ccc(CN3C[C@H](C)C[C@@H](C)C3)cc2)cc1[N+](=O)[O-] 604078750 FRVKWORLIPVJKC-QZTJIDSGSA-N 440.544 4.081 5 20 IIBD O=C(c1cnc(-c2ccccc2Cl)s1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 604517567 YUWMYBIMRZKYDF-UHFFFAOYSA-N 428.901 4.334 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CCCc1cc(-c2ccc(F)cc2)no1 608780235 PEZJNGINVDTZGN-HNNXBMFYSA-N 426.448 4.281 5 20 IIBD CC(C)(C)C[C@H](NC(=O)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(F)cc1 608869716 GDXJTVPTWQSZSS-IBGZPJMESA-N 425.464 4.286 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 608964352 GYKSIRDNMBXTFD-LJQANCHMSA-N 447.278 4.301 5 20 IIBD O=C(NC[C@H]1CCCN1CC1CCCCC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 609444733 UAIFCKVFJQFZFI-MRXNPFEDSA-N 443.466 4.310 5 20 IIBD Cc1cc(Oc2ccccc2)ccc1NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 609447676 SESUWEAASMVNMV-UHFFFAOYSA-N 442.449 4.268 5 20 IIBD CCOc1cc(C(=O)Nc2cc(-c3cc(Cl)ccc3OC)[nH]n2)c([N+](=O)[O-])cc1OC 609771492 HXRNDLCQDJPVEK-UHFFFAOYSA-N 446.847 4.307 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccsc2)cc([N+](=O)[O-])c1C 609880473 NARZPTNWTSIBEC-UHFFFAOYSA-N 431.495 4.326 5 20 IIBD O=C1CCCN1c1cc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)ccc1Cl 610234024 YIEHOTQJYKIFNA-FQEVSTJZSA-N 431.901 4.263 5 20 IIBD O=C(Nc1nc2ccccc2n1-c1ccccc1F)c1cc([N+](=O)[O-])cc2c1OCCO2 610237119 JUQDLJYGZNHBBN-UHFFFAOYSA-N 434.383 4.096 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1Br 612931927 ZBRDMHRHBWVMAF-LLVKDONJSA-N 431.246 4.207 5 20 IIBD O=C(NCCOC[C@@H]1CCOC1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 613441309 KSSYUBMVJDAJAJ-CQSZACIVSA-N 436.917 4.182 5 20 IIBD O=C(Nc1ccc(F)cc1OC1CCCC1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 615092353 LTLOXDMUAYXDPZ-UHFFFAOYSA-N 441.459 4.185 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(Cl)c(N2CCCC2=O)c1 618710734 DXHFOWWOAZPJEW-UHFFFAOYSA-N 441.793 4.324 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)OCc2coc(-c3ccc(F)c(F)c3)n2)cc1OC 728615357 UUVXBIBYTCCJQB-UHFFFAOYSA-N 434.351 4.292 5 20 IIBD COc1ccc([C@H]2NC(=O)N(Cc3ccccc3)C(C)=C2C(=O)OC(C)C)cc1[N+](=O)[O-] 730202536 SCDWMOLFSMBJHD-OAQYLSRUSA-N 439.468 4.096 5 20 IIBD CCC1=C(C(=O)OC)[C@H](c2csc(-c3cccc([N+](=O)[O-])c3)n2)NC(=O)N1CC1CC1 733121906 RCEWGJKNDGGJFQ-SFHVURJKSA-N 442.497 4.032 5 20 IIBD C[C@H](CN(C)C(=O)OC(C)(C)C)c1noc(-c2ccc([N+](=O)[O-])cc2Br)n1 740616779 NFRSTLXVWCIMLT-SNVBAGLBSA-N 441.282 4.378 5 20 IIBD C[C@H]1C[C@H](c2cccc(F)c2)N(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)C1 742419067 QOBWZRKWBUFFMW-MGPUTAFESA-N 433.505 4.106 5 20 IIBD O=[N+]([O-])c1ccc(/C(O)=C(/C(=S)N[C@H]2CCc3ccccc3C2)[n+]2ccccc2)cc1 743053960 ABNWZXNYBCONFA-FQEVSTJZSA-O 432.525 4.241 5 20 IIBD Cc1cc(COC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c2ccccc2n1 744133401 HVDFEBHVFUEDKO-UHFFFAOYSA-N 435.465 4.088 5 20 IIBD Cc1ccc(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])cc1NC(=O)OC(C)(C)C 745454849 FDKFDHOUZDUQQC-UHFFFAOYSA-N 429.429 4.046 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 747189829 DHTFQFWDWCFKCO-UHFFFAOYSA-N 439.435 4.035 5 20 IIBD CCCC[C@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)Nc1cc(C)on1 747957672 PCZVOQWJQVZJJT-INIZCTEOSA-N 444.469 4.369 5 20 IIBD C[C@@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N(C)Cc1cccc(F)c1 747961845 KIBKSIYXCQLOHV-CYBMUJFWSA-N 443.456 4.061 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(N3CCc4sccc4C3)cc2)cc1[N+](=O)[O-] 748693394 RGJMBQZHTNFUMI-UHFFFAOYSA-N 429.523 4.328 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3ccc(F)cc3)n2C)cccc1[N+](=O)[O-] 749326940 IAQWDZJVTCVULG-CQSZACIVSA-N 425.416 4.232 5 20 IIBD COc1cccc2c1CC[C@H]2NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 750905410 ORMNNRCRZPZPFX-CYBMUJFWSA-N 425.666 4.437 5 20 IIBD C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1NC(=O)c1cccc([N+](=O)[O-])c1Br 753837782 ZBSLIZIIUBSJTR-HUUCEWRRSA-N 446.345 4.244 5 20 IIBD O=C(NC[C@H](c1ccco1)N1CCCCC1)c1cc(F)cc([N+](=O)[O-])c1Br 754638236 CYGCQZXKJCSOJG-OAHLLOKOSA-N 440.269 4.046 5 20 IIBD O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)Nc1ccc(Br)c([N+](=O)[O-])c1 755029100 LBZGQQKGUCQSNK-GFCCVEGCSA-N 437.269 4.144 5 20 IIBD COc1cc(Br)c(COC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1OC 755062197 JTLRGUMBKVSNFP-SNVBAGLBSA-N 442.237 4.361 5 20 IIBD CCc1c(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cnn1CCC(C)C 755594343 JQKFZZJHSRDYJY-ZDUSSCGKSA-N 436.896 4.237 5 20 IIBD Cc1nc(C(=O)O[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)nn1-c1ccccc1C(C)C 759935538 SAYSTFQFGNLYTF-RBUKOAKNSA-N 438.488 4.145 5 20 IIBD O=C(O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1cccc(NC(=O)c2cccs2)c1 759937960 JFUYJZNSOSKFAP-IRXDYDNUSA-N 440.481 4.446 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2NC(=O)Cc2cccs2)c1F 760364001 VSJHLQYGLYUFES-UHFFFAOYSA-N 449.485 4.086 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC[C@H]1CCCCN1C(=O)c1cccn1C 765604574 QVSULPNSNATJQL-VQTJNVASSA-N 441.528 4.130 5 20 IIBD COc1cc(COC(=O)Cc2csc(Cc3ccc(F)cc3)n2)c([N+](=O)[O-])cc1F 766196673 SOEPPGUAMGWEBF-UHFFFAOYSA-N 434.420 4.215 5 20 IIBD O=Cc1ccc(OCC(=O)Nc2ccc(OCC(F)F)c(C(F)(F)F)c2)c([N+](=O)[O-])c1 769307461 QIXOGHARMCIACK-UHFFFAOYSA-N 448.300 4.088 5 20 IIBD COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C 769631423 RSNLGCPUULGMDE-UHFFFAOYSA-N 440.886 4.359 5 20 IIBD COCCOc1c(Cl)cc(N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl 773211402 NASJRGNFKWABST-QGZVFWFLSA-N 440.283 4.144 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccccc2COC(C)(C)C)c([N+](=O)[O-])c1 773704936 OSTQYCQOGOHYBF-AWEZNQCLSA-N 430.457 4.103 5 20 IIBD COCCc1nc(C)c([C@@H](C)OC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])s1 773920141 IASUNMJSYIUFLE-LLVKDONJSA-N 426.516 4.197 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCn2c(cc3ccc(Cl)cc32)C1 774745344 MGKUOLDNUKASAP-UHFFFAOYSA-N 441.843 4.219 5 20 IIBD Cc1cc(C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cc(O)n1 777136258 DODSPBZOHWRGCP-LJQANCHMSA-N 441.827 4.194 5 20 IIBD COc1ccc(Oc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])c(F)cc3C)cn2)cc1 777935566 PRHPRZFNKMWPDH-UHFFFAOYSA-N 433.417 4.039 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H](O)c1cc(Cl)cc(Cl)c1 778737462 DRXMBAXFDITSKF-MRXNPFEDSA-N 432.691 4.130 5 20 IIBD CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)OCc1ccc([N+](=O)[O-])c(C)c1 781172154 UWOYOWWYFXUWNI-HNNXBMFYSA-N 437.539 4.311 5 20 IIBD C[C@H](OC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F 781572738 UYZURXDIZKKKEO-NSHDSACASA-N 434.355 4.485 5 20 IIBD Cc1ccc(CCN(CC(F)(F)F)C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 781650623 FREHWLDVMCWDMN-UHFFFAOYSA-N 439.390 4.378 5 20 IIBD Cc1ccc(Cn2cccc(NC(=O)c3cccc([N+](=O)[O-])c3Br)c2=O)cc1 782174191 MKZUTIRQCOGQHQ-UHFFFAOYSA-N 442.269 4.128 5 20 IIBD Cc1cc(C(=O)Oc2ccc(Oc3ncc(Br)cn3)cc2)cc([N+](=O)[O-])c1 789727801 QJVZUGIKNPUOPS-UHFFFAOYSA-N 430.214 4.467 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1 789907908 KEDJWYUGQZBBAO-FQEVSTJZSA-N 448.458 4.228 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)O[C@@H]([C@@H]1CCCOC1)C(F)(F)F 791043971 GXNLLQHDYDTSBB-RNCFNFMXSA-N 426.185 4.180 5 20 IIBD COc1cc(C(=O)OC[C@H]2CCC(=O)N(C)[C@@H]2c2cccc(Cl)c2)cc([N+](=O)[O-])c1C 791810867 IWPGXOQOFYSGGX-QVKFZJNVSA-N 446.887 4.332 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)cc1[N+](=O)[O-] 792957708 ZIEOTWREIJTAAK-INIZCTEOSA-N 445.541 4.100 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=S)NCCCCC(F)(F)F 794967747 CGAOVCPGLYJRTG-UHFFFAOYSA-N 445.467 4.462 5 20 IIBD Cc1ccc(F)cc1-c1nnc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 795644950 JCIFYIYESJPEMF-UHFFFAOYSA-N 428.854 4.015 5 20 IIBD COC(=O)/C=C\c1ccc(OC)c(OC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 797156677 GCVYJMPLKCQQFM-CLFYSBASSA-N 440.433 4.132 5 20 IIBD COc1ccc(C2=N/C(=C\c3ccc(N(C)c4ccccc4)nc3)C(=O)O2)cc1[N+](=O)[O-] 797783981 JQYXSIPKCTXOCP-PDGQHHTCSA-N 430.420 4.111 5 20 IIBD C[C@@]1(c2cc3ccccc3o2)NC(=O)N(Cc2ccc(Br)c([N+](=O)[O-])c2)C1=O 800832498 VWPUDFMMJHSSPE-IBGZPJMESA-N 444.241 4.071 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 801089731 TZIGKTLSJFXYAX-UHFFFAOYSA-N 425.485 4.160 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 801881572 SVHQAMJNXMEVPS-CWFSZBLJSA-N 449.463 4.099 5 20 IIBD Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1c1nc(O)c2cc([N+](=O)[O-])ccc2n1 804551627 NGPVPPJCBGJIAY-MRXNPFEDSA-N 430.896 4.399 5 20 IIBD O=C(OCc1c(F)cc([N+](=O)[O-])cc1F)C1(S(=O)(=O)c2ccccc2)CCCCC1 808612556 BBZJSROAFIYULK-UHFFFAOYSA-N 439.436 4.093 5 20 IIBD C[C@@H](C(=O)OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CN(C(=O)OC(C)(C)C)C1 811204772 QKDCBWREOYRXND-SNVBAGLBSA-N 433.288 4.448 5 20 IIBD C[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Br)cc1OCCCO 812484889 BMFIJAMSLTYUGT-LLVKDONJSA-N 440.250 4.200 5 20 IIBD O=C(O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)C1(c2ccccc2Cl)CCOCC1 813172736 MWBWGSZEAUTOHX-IBGZPJMESA-N 444.915 4.114 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1nnn(-c2cccc(F)c2)c1C(F)(F)F 813244078 MJRPDBPWNBFRKG-UHFFFAOYSA-N 429.717 4.239 5 20 IIBD CC(C)(NC(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F)c1ccccc1[N+](=O)[O-] 817038534 RRUZIZVQXXPZLO-UHFFFAOYSA-N 434.489 4.115 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)C2(c3cccc(Cl)c3)CCC2)c([N+](=O)[O-])c1 875261354 OLWNIHNNLAYLCY-UHFFFAOYSA-N 432.860 4.251 5 20 IIBD CCCCc1nc(COC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cs1 915229658 CJOLLXFNDFYJEK-UHFFFAOYSA-N 433.515 4.031 5 20 IIBD CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccc(C(F)(F)F)cc2)NC(=S)N1 916190904 FMILVWNQCHLJHF-INIZCTEOSA-N 436.415 4.045 5 20 IIBD COc1cc(CCNC(=O)Nc2ccc(N3CCCCCC3)cc2)c([N+](=O)[O-])cc1OC 916219099 MAGPOLBSPMBYCL-UHFFFAOYSA-N 442.516 4.357 5 20 IIBD Cc1ccc(S(=O)(=O)NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)s1 916781592 ZDEWVVCRWHARAH-UHFFFAOYSA-N 434.520 4.235 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCc1ccnc(OCC(F)(F)F)c1 917066140 XKJKRYFPWWGXNG-UHFFFAOYSA-N 440.256 4.470 5 20 IIBD C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 917295804 FCHAQEZFRXCKDY-AWEZNQCLSA-N 425.441 4.453 5 20 IIBD Cc1nc2cc(F)cc(C(=O)O[C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c2nc1C 919547119 XQPLFFSQAQDACH-LBPRGKRZSA-N 437.387 4.262 5 20 IIBD CC(C)N(C(=O)[C@@H](C)OC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)C(C)C 920547641 OYSOOPYBGPTWNR-DLBZAZTESA-N 442.516 4.354 5 20 IIBD O=C(NCc1cccc(OCC(F)(F)F)n1)Nc1ccc(Br)c([N+](=O)[O-])c1 1116836153 OMTVHZWJSBNKFK-UHFFFAOYSA-N 449.183 4.015 5 20 IIBD C[C@H](Cc1ccccc1)n1cccc1C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1254117623 TXPWBNQBHGGTDI-HXUWFJFHSA-N 432.524 4.158 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(Cn1nc(-c3cccnc3)n(-c3ccccc3)c1=S)CC2 1323739291 SQJRBIDDTOAAIH-UHFFFAOYSA-N 444.520 4.389 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 1339775342 SQFLEISAWDNYER-UHFFFAOYSA-N 440.378 4.286 5 20 IIBD C/C=C/C=C\C(=O)NC1(c2ccc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCC4)cc2)CCC1 1790045136 IEWUNSYLYRDXHR-ZPYFUIHZSA-N 447.491 4.410 5 20 IIBD CC(C)/C=C/C(=O)NC1(c2ccc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCC4)cc2)CCC1 1790045520 SSFDMKORJLSIJZ-RUDMXATFSA-N 449.507 4.490 5 20 IIBD Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2ccc(C)c([N+](=O)[O-])c2)C3)cc1C 1799656056 HLLNICMZCDSTMQ-KOUNCHBCSA-N 435.524 4.015 5 20 IIBD CC(C)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)[nH]n1 1821933458 SCYNJNWJOWQKNJ-SFHVURJKSA-N 431.468 4.199 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])N1CCC([C@H]2CCCCN2C(=O)CC2CC2)CC1 1826609669 GGVLJLSLQMBNCN-LJQANCHMSA-N 445.585 4.107 5 20 IIBD Cc1ccc(CC(=O)N2CC3(CCCN3C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C2)cc1 1845738654 IZTSHGQVGLXYNZ-UHFFFAOYSA-N 449.532 4.178 5 20 IIBD CC(C)Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nnc1-c1ccco1 9566533 SATMWIFBYKAXGF-UHFFFAOYSA-N 435.893 4.487 5 20 IIBD C[C@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)c1ccc(OC(F)F)cc1 9849038 HRGXBCSJWGOFAD-VIFPVBQESA-N 444.184 4.387 5 20 IIBD CC(C)c1ccc([C@H](NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)C)cc1 17370746 AFSZSZMFZQCUON-OAQYLSRUSA-N 429.542 4.423 5 20 IIBD COc1ccc(-c2nnc(CSc3nc4cc5ccccc5cc4c(=O)n3C)o2)cc1 18338849 ZGDKXYSQERVOQI-UHFFFAOYSA-N 430.489 4.438 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OCC(C)C 21763747 FCVAXDUYSJPXNP-HNNXBMFYSA-N 430.457 4.131 5 20 IIBD CCOC(=O)c1cc(C(=O)O[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)cc([N+](=O)[O-])c1 22437900 SFHRQQXUXKPRQN-ZDUSSCGKSA-N 448.859 4.226 5 20 IIBD CC(C)(CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)N1CCOCC1 36622292 RDILFLLDKJGXLK-UHFFFAOYSA-N 449.960 4.240 5 20 IIBD CN(CCCOc1cccc(Cl)c1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 59803697 QDUREUBYGJSOHS-UHFFFAOYSA-N 431.920 4.392 5 20 IIBD COC(=O)c1sc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)nc1C 60959525 LLTRIXMXYMREGY-UHFFFAOYSA-N 426.454 4.011 5 20 IIBD O=C(Nc1ccccc1OCCn1ccnc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 64934750 GYKLTURUMFGKLU-UHFFFAOYSA-N 435.465 4.246 5 20 IIBD CN(C)CCN(Cc1cccc(F)c1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 65127885 XESZYAAOQNYNHT-UHFFFAOYSA-N 428.489 4.061 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN(Cc3csc(C(C)(C)C)n3)CC2)c1 97494072 LGIFEMGJBXKCAY-UHFFFAOYSA-N 434.587 4.029 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCC(c2nc3ccccc3s2)CC1 109011597 ZQSUSEVJEGAQHV-UHFFFAOYSA-N 442.453 4.283 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC3(CCN(C)CC3)Oc3ccccc32)c1 216826577 SAHUGHISMVGSGN-SFHVURJKSA-N 427.526 4.035 5 20 IIBD COc1cc(CCNC(=O)[C@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])cc1OC 217474159 ULKHLBVZGPHLNZ-CVEARBPZSA-N 438.402 4.093 5 20 IIBD Cc1ccc(C(=O)Nc2cccc(CNc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])c2)cc1 301062616 DQSSCXRVJVIKHD-UHFFFAOYSA-N 439.493 4.171 5 20 IIBD CS(=O)(=O)c1ccc(N2CC=C(c3ccccc3C(F)(F)F)CC2)c([N+](=O)[O-])c1 301651797 GNJZLSSYGDMTBE-UHFFFAOYSA-N 426.416 4.311 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CCSC[C@@H]1c1ccc(Cl)cc1 303660482 HGANIVVKZXFHRD-GOSISDBHSA-N 429.885 4.432 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1cc(-c2ccsc2)nn1-c1ccccc1 410341489 WIRFRVGPGQJPDW-UHFFFAOYSA-N 440.506 4.451 5 20 IIBD C[C@H](CO)NC(=O)c1ccc(NCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)cc1 428343360 BEJIOJNYORVSDE-QGZVFWFLSA-N 434.496 4.085 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)CC[C@@H]1O 428666998 KXMJBWWQOCESEU-LRDDRELGSA-N 429.523 4.199 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](c2cccc(C(F)(F)F)c2)O[C@H](C)C1 428934432 WJTUZHVWCFDYOJ-AUUYWEPGSA-N 437.418 4.323 5 20 IIBD CCN([C@@H](c1cccnc1)c1ccc(F)c(F)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 431918772 LRKNNYIGVHMFDB-OAQYLSRUSA-N 447.463 4.377 5 20 IIBD Cc1csc([C@H](C)CNc2ccc([N+](=O)[O-])c(NC[C@@H](C)c3nc(C)cs3)n2)n1 433770582 GXFGCWCJWIHUBG-VXGBXAGGSA-N 432.575 4.951 5 20 IIBD O=C(Nc1ccc(CN2CCOCC2)cc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 435824105 GLXPNPHKVYSUKG-UHFFFAOYSA-N 449.457 4.044 5 20 IIBD COc1cc(CSc2n[nH]c(-c3ccccc3O)n2)c([N+](=O)[O-])cc1OCC(F)F 436983599 KMJCWIQQXWZKLH-UHFFFAOYSA-N 438.412 4.030 5 20 IIBD COc1ccc(Cl)cc1NC(=O)CCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437012704 NGGVFYXBPVXMKJ-UHFFFAOYSA-N 445.781 4.034 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2cccc(COCC(F)(F)F)c2)cc1SC 441736733 GXCSWRBZYDVDMX-UHFFFAOYSA-N 444.431 4.334 5 20 IIBD Cc1cc(N(C)C)cc(C)c1NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 443433370 ZTFNRIHCBKRYQP-UHFFFAOYSA-N 442.335 4.149 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H](c2nc3ccc(F)cc3o2)C1 443643547 BKSNFAPQWUHRQV-HNNXBMFYSA-N 426.448 4.392 5 20 IIBD COc1cccc(C2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)c1 444225660 WHHYFTLTFSYUEI-UHFFFAOYSA-N 444.431 4.191 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@H](c3nccn3C)C2)c([N+](=O)[O-])c1 444799376 HYOGOXAYJLQGMI-SIKLNZKXSA-N 433.512 4.196 5 20 IIBD Cc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])ccc1-n1cncn1 446428536 VSHAHVPASWYRRS-UHFFFAOYSA-N 429.436 4.315 5 20 IIBD C[C@@H](O)CCCNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 447621781 XKEOTAFEZYENMT-WIZMWCRPSA-N 425.510 4.412 5 20 IIBD COc1ccc(C(NC(=O)CSc2ccc([N+](=O)[O-])cn2)c2ccc(OC)cc2)cc1 448108854 RNSSMLDAITUASK-UHFFFAOYSA-N 439.493 4.005 5 20 IIBD Cc1ccnc(Oc2cc(NC(=O)[C@@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)ccc2C)c1 461313793 FLVGZRUOTIEUKC-MRXNPFEDSA-N 434.452 4.156 5 20 IIBD CC[C@@H](C)NC(=O)COc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 462656081 CPFPHVDNDBVJGX-LLVKDONJSA-N 440.283 4.447 5 20 IIBD CCC1(CNc2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccccc2OC)CCOCC1 466650202 GPTYOOLTTWTJFD-UHFFFAOYSA-N 449.529 4.023 5 20 IIBD O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 468824653 CINKQBWUJPDOEG-UHFFFAOYSA-N 447.472 4.369 5 20 IIBD CC(=O)N1CCN(c2ccc(C(=O)Nc3ccccc3SC(C)C)cc2[N+](=O)[O-])CC1 472679412 RDMONAMQBWZDNY-UHFFFAOYSA-N 442.541 4.016 5 20 IIBD CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1C[C@H](F)CN1Cc1nccs1 475100486 QRTBJZIOSOEGCH-WMZOPIPTSA-N 430.505 4.356 5 20 IIBD COC(=O)COc1ccc(CN2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)cc1[N+](=O)[O-] 475133303 BDSSUOJMFZTOEI-KRWDZBQOSA-N 444.875 4.013 5 20 IIBD Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(N[C@@H](C)c4ccccn4)c([N+](=O)[O-])c3)n2)o1 479472635 TZFQWNCVWKXLLQ-ZDUSSCGKSA-N 433.428 4.102 5 20 IIBD Cc1c(CNC(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)cccc1[N+](=O)[O-] 479689435 QUCSOYWMJOOVHS-UHFFFAOYSA-N 436.443 4.294 5 20 IIBD O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 479799001 ALRJKINELYNSCC-JGCGQSQUSA-N 446.488 4.341 5 20 IIBD Cc1c(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccco2)cccc1[N+](=O)[O-] 479818631 VGZLMYVKEIVCDL-UHFFFAOYSA-N 439.453 4.127 5 20 IIBD COc1ccc(C)cc1-c1csc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)n1 481173489 ZOJXTSGMLDTJFL-UHFFFAOYSA-N 435.465 4.473 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(Sc3nnc(-c4ccccn4)n3-c3ccccc3)cc2N1 481836484 JWAVNIJTEGJWSH-UHFFFAOYSA-N 444.476 4.273 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1SC 482381336 NSVSWLMANHAXIC-UHFFFAOYSA-N 437.905 4.068 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CN1C(=O)[C@H](c2ccccc2)N(Cc2ccccc2)C1=O 485378523 YDTPPHWWYVHXRN-QFIPXVFZSA-N 431.448 4.309 5 20 IIBD C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 486672471 QZLSMHKZUARPCN-CYBMUJFWSA-N 433.892 4.416 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cc(-c2ccc3c(c2)CCO3)no1 486721931 NDBGWVUSPPCPRJ-UHFFFAOYSA-N 433.342 4.134 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(NC(=O)c3cnoc3C)cc2)cc1SC 486738340 BNCPXZLALAZEHS-UHFFFAOYSA-N 442.453 4.126 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)c(C)c([N+](=O)[O-])c1 486863319 AGPKWHWIEQAIJM-UHFFFAOYSA-N 443.300 4.038 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@H](C)c2ccc(Br)s2)c(C)c([N+](=O)[O-])c1 486873653 TYVZMTUKRRRJGT-SECBINFHSA-N 442.291 4.397 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H]2CCC[C@H](N(C)C)C2)cc1[N+](=O)[O-] 487407521 AHRMEGGHLJSQEK-IRXDYDNUSA-N 441.553 4.150 5 20 IIBD Cc1ccc([C@H](C)NC(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)cc1[N+](=O)[O-] 488045081 CIBMWFNOQMCVPX-AWEZNQCLSA-N 440.525 4.200 5 20 IIBD Cc1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1C(=O)N(C)C(C)C 488243641 MWDDVOHRSSWAGI-UHFFFAOYSA-N 440.319 4.460 5 20 IIBD CCN([C@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 488671660 UYSTZNDGWSAXGF-LLVKDONJSA-N 431.283 4.268 5 20 IIBD Cc1ccc([C@H](C)NC(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)cc1[N+](=O)[O-] 489293437 QLRKHHONWSXJDE-HNNXBMFYSA-N 432.471 4.206 5 20 IIBD CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 493158652 RKVBHYLHIJWPDW-WIYYLYMNSA-N 425.533 4.055 5 20 IIBD Cc1cc(NC(=O)c2ccnc(SCC(F)(F)F)c2)n(-c2ccc([N+](=O)[O-])cc2)n1 493536934 NZTKLZWBRWJJRK-UHFFFAOYSA-N 437.403 4.391 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(OC3CCCCC3)cc2)cc1[N+](=O)[O-] 493917337 QMKFZVSZSUFTEY-INIZCTEOSA-N 425.485 4.431 5 20 IIBD CCN(CC)[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccco1 495143069 ZELYLYUOGHUWDJ-INIZCTEOSA-N 428.411 4.089 5 20 IIBD C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 499263927 GVJOELPDTGAJGP-CYBMUJFWSA-N 425.466 4.198 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 500328508 XYAOEYKZINXNIW-UHFFFAOYSA-N 442.686 4.153 5 20 IIBD Cc1nc(C)c(C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)s1 500738085 NXLWFGNUAUWSAK-UHFFFAOYSA-N 442.566 4.355 5 20 IIBD Cc1ncc(CN(C)C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)s1 502941588 WFLQGKIIJNEAMN-UHFFFAOYSA-N 442.463 4.254 5 20 IIBD Cc1cc(N2CCC(C(=O)Nc3cccc(F)c3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 507013592 FKULVZKLIZPJJJ-UHFFFAOYSA-N 435.459 4.354 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H](c1c[nH]c2ccccc12)C(F)(F)F 508108674 FLMHVNGXLBYRBK-OAHLLOKOSA-N 433.795 4.311 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CCC(Oc3cc(C)ccc3C)CC2)cc([N+](=O)[O-])c1 509126642 UXBYUVSPHKPEDZ-UHFFFAOYSA-N 426.469 4.072 5 20 IIBD Cc1ccc(-c2noc([C@H](C)N3CCN(Cc4c(F)cc([N+](=O)[O-])cc4F)CC3)n2)cc1 509295337 UYFKGCQPESBZDA-HNNXBMFYSA-N 443.454 4.110 5 20 IIBD O=C(N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1CCN(c2ccccc2[N+](=O)[O-])CC1 509830379 HUDQVHBBXONGQG-WBVHZDCISA-N 434.418 4.001 5 20 IIBD Cc1occc1C(=O)Nc1cc(N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1F 510994051 DSUVEJKJLPZVFK-GFCCVEGCSA-N 426.404 4.327 5 20 IIBD CN(c1ccccc1)C1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC1 512066110 BQYOFYWOWQADFZ-UHFFFAOYSA-N 437.418 4.277 5 20 IIBD Cc1sc(NC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)nc1-c1cccc([N+](=O)[O-])c1 516823357 HELKWLLAVCKCDI-OAHLLOKOSA-N 430.530 4.250 5 20 IIBD Cc1ccc(CCC2CCN(C(=O)Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)CC2)cc1 524401918 ITFUDCFQLYZILR-UHFFFAOYSA-N 433.512 4.033 5 20 IIBD CCCCN1C(=O)CC[C@H](C(=O)N(C)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1OC 532825059 BJDKHOIZDJRVPO-REWPJTCUSA-N 439.512 4.346 5 20 IIBD Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N(C)c3cccc([N+](=O)[O-])c3)c2)cc1 532827947 QMSNBUCOMKXMOG-UHFFFAOYSA-N 439.493 4.005 5 20 IIBD O=C(Nc1ccc(Oc2ccc(CO)cc2)cc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 532867714 YFVBRWCRZYNAEQ-UHFFFAOYSA-N 430.420 4.317 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCN(Cc2ccc(F)cc2)CC1 532899471 VTRXOBZSDPZZEE-INIZCTEOSA-N 425.464 4.053 5 20 IIBD COc1cccc(COc2cccc(NC(=O)CCn3nc(C)c([N+](=O)[O-])c3C)c2C)c1 535215318 PJUKRKFXEBOITQ-UHFFFAOYSA-N 438.484 4.333 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCN(c2ccc(F)cn2)CC1 537150933 ZXSFAGQQSBSYSY-UHFFFAOYSA-N 438.484 4.243 5 20 IIBD CCOc1cccc([C@@H]2C[C@@H]2Nc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)c1 537193026 MQBCKYWSYBOIKM-ROUUACIJSA-N 426.860 4.161 5 20 IIBD CN(C(=O)CSc1ccc2c(c1)OCCO2)c1nc(-c2ccccc2[N+](=O)[O-])cs1 539352383 HGUFKKMRMPPIQB-UHFFFAOYSA-N 443.506 4.245 5 20 IIBD O=C(NCCCNc1ncnc2ccc([N+](=O)[O-])cc12)c1ccc(-c2ccccc2F)o1 539922976 RTWGOKCPKBASQX-UHFFFAOYSA-N 435.415 4.169 5 20 IIBD COc1cc(C(=O)N2CCCc3c(Br)ccc(C)c32)c([N+](=O)[O-])cc1OC 540757799 JNBIJRPBSRDYHC-UHFFFAOYSA-N 435.274 4.276 5 20 IIBD O=C(NC[C@H](O)COc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 541728435 ZESICPOJZSRFSE-SFHVURJKSA-N 448.516 4.186 5 20 IIBD Cc1cc(C(=O)NCC(=O)Nc2cccc(COC3CCCCC3)c2)ccc1[N+](=O)[O-] 542022267 VNXMVJMQIHUKQW-UHFFFAOYSA-N 425.485 4.121 5 20 IIBD CSc1cccc([C@H](NC(=O)N=c2cc[nH]cc2[N+](=O)[O-])c2ccc(F)c(F)c2)c1 543767039 FKEXCKGNYXARMJ-IBGZPJMESA-N 430.436 4.323 5 20 IIBD Cc1ccc(NCCCNC(=O)N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 544427711 TUBKDKUEZJLCLA-RXVVDRJESA-N 430.480 4.064 5 20 IIBD O=C(NCc1ccco1)c1cccc(-c2noc(-c3c[nH]c4ccc([N+](=O)[O-])cc34)n2)c1 546276504 UFESWHXWPMIBJD-UHFFFAOYSA-N 429.392 4.316 5 20 IIBD Cc1ccc(-c2noc(CCc3nc(Cc4c[nH]c5ccc([N+](=O)[O-])cc45)no3)n2)cc1F 546559261 XICQKCJYWHHWEV-UHFFFAOYSA-N 448.414 4.333 5 20 IIBD CC(C)COc1ccccc1-c1noc(CSc2ccc(C(N)=O)cc2[N+](=O)[O-])n1 547050755 XLJSIJLQNGXJBK-UHFFFAOYSA-N 428.470 4.071 5 20 IIBD CC(C)(C)OCCOc1cccc(-c2noc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)n2)n1 547234668 CGXYZFOPKATCQN-UHFFFAOYSA-N 437.456 4.306 5 20 IIBD COc1cc(OC)c2cc(-c3nc(Cc4c[nH]c5ccc([N+](=O)[O-])cc45)no3)[nH]c2c1OC 547264309 VKZVZFUAAALJRE-UHFFFAOYSA-N 449.423 4.224 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCCC[C@@H]2c2ncc(-c3ccccc3)[nH]2)s1 557663218 XWDVASPRRZJBCN-OAHLLOKOSA-N 432.527 4.182 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2c(nnn2-c2ccccc2)C1 558239058 YHOWCAYCNXDVQU-UHFFFAOYSA-N 437.525 4.122 5 20 IIBD CCc1cc2c(=O)n(CCc3ccccc3)c(Sc3ncc([N+](=O)[O-])cn3)nc2s1 558532381 MSJMPLYZHUIAPT-UHFFFAOYSA-N 439.522 4.113 5 20 IIBD CCOc1cc(C(=O)N(C)Cc2ccc(OCC(F)(F)F)cc2)c([N+](=O)[O-])cc1OC 560711527 AWBKRKGTTAQHCG-UHFFFAOYSA-N 442.390 4.215 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 574088367 XKQWRHZGBIHNFC-UXHICEINSA-N 432.908 4.004 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1 578266787 DEEGPVVBSOUOFR-MRXNPFEDSA-N 434.378 4.205 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)c1 578935843 UJLJRVWDESAHJX-LJQANCHMSA-N 440.443 4.467 5 20 IIBD COc1cc(C(=O)Nc2nccn2Cc2ccc(Br)cc2)cc([N+](=O)[O-])c1C 583658563 GWPQTLRQWANNRY-UHFFFAOYSA-N 445.273 4.171 5 20 IIBD CCc1cc(N2CC[C@@](CO)(Cc3ccc(F)cc3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 588862908 KAHVDQDGVMTMOQ-XMMPIXPASA-N 436.487 4.185 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(CNc3ccc(C(F)(F)F)c([N+](=O)[O-])c3)cc2)C[C@@H](C)O1 589110357 LJPVHZAMWQEYJF-OKILXGFUSA-N 437.418 4.475 5 20 IIBD CC(C)c1nc2ccccc2n1Cc1noc(-c2cccc([N+](=O)[O-])c2N2CCOCC2)n1 589148332 HZIFHWAAHVVPII-UHFFFAOYSA-N 448.483 4.003 5 20 IIBD O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 590654620 DQPJZWATESFACM-UHFFFAOYSA-N 426.392 4.236 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3)cc2[N+](=O)[O-])CC1 601970357 WKZXKOLJECTACB-UHFFFAOYSA-N 436.512 4.319 5 20 IIBD CCCOc1ccc([C@H](C)NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1OC 603772725 IILDJURYDWXGTG-KRWDZBQOSA-N 441.528 4.486 5 20 IIBD O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 603999662 BJUMJPVZEJGNOG-UHFFFAOYSA-N 432.267 4.287 5 20 IIBD COC(=O)C[C@@H]1CCCCN1C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 604478775 PWVMMBPHXPSSRO-KRWDZBQOSA-N 445.903 4.418 5 20 IIBD CN(Cc1nccn1C)C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 608800884 IVNNAWCHOHTFHJ-UHFFFAOYSA-N 439.522 4.361 5 20 IIBD C[C@H](NS(=O)(=O)c1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2F)c1)c1ccccc1 608870800 NTCWKCBXVNSZJB-AWEZNQCLSA-N 443.456 4.026 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 608980338 ZTYJQROQFXNLBG-QGZVFWFLSA-N 445.324 4.226 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 609444745 UWRVEIWOGUSWPH-UHFFFAOYSA-N 439.859 4.336 5 20 IIBD CC(C)N(Cc1ccccc1)C(=O)CSCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 609770866 RREGZBMLYNWDCH-UHFFFAOYSA-N 443.525 4.063 5 20 IIBD CCN(CC)C(=O)COc1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1Cl 609855635 NGOWMXJJCISBQI-UHFFFAOYSA-N 440.283 4.401 5 20 IIBD COc1cccc(Nc2ccccc2C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 609911416 AVBPDZZIWIWYST-QGZVFWFLSA-N 433.468 4.069 5 20 IIBD CC(C)(C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1)c1ccc([N+](=O)[O-])cc1 610062489 WQCKHUFBOZVIFV-OAHLLOKOSA-N 446.345 4.278 5 20 IIBD COc1ccc(OCCSc2nnc(-c3ccc(OC(F)F)cc3)o2)c([N+](=O)[O-])c1 610219436 VAPLOIXIXDBIBP-UHFFFAOYSA-N 439.396 4.426 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1CCCN(Cc2ccccc2)C1 611511342 FRKKGXJDZRSSLJ-SFHVURJKSA-N 430.936 4.002 5 20 IIBD O=C(N[C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)c1ccc([N+](=O)[O-])c2cccnc12 612132831 LRNDBLZXRBCPPA-YUXAGFNASA-N 430.508 4.174 5 20 IIBD C[C@@H](C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1ccc([N+](=O)[O-])cc1F 612473077 FBGPKDBJSYGRGO-OCCSQVGLSA-N 425.382 4.251 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@H](Cn1cccn1)c1ccccc1 618816044 ZOBPCJIFVAHXFA-GOSISDBHSA-N 433.390 4.051 5 20 IIBD CN(CCCCCc1cc(-c2ccccc2)no1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 725782869 QISYNNUVDMQNJP-UHFFFAOYSA-N 448.479 4.148 5 20 IIBD Cc1nn2cc(CCCOC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)cnc2c1C 726382873 AHIGILCGWMMKJQ-UHFFFAOYSA-N 437.481 4.167 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 731832680 MWHAIFDRVQLWPD-JOCHJYFZSA-N 427.888 4.175 5 20 IIBD O=C(COC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1)Nc1ccccc1[N+](=O)[O-] 732855176 RJCBFKFXBWLSTC-UHFFFAOYSA-N 428.347 4.461 5 20 IIBD C[C@H](CC(=O)O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(C(F)(F)F)cc1 733524369 SPSDBZRBLOORGD-FZKQIMNGSA-N 436.386 4.456 5 20 IIBD COC(=O)c1sc2ccccc2c1COC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 735353819 MTJWOFHANMSYOU-UHFFFAOYSA-N 438.417 4.207 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 735644857 VJZUUQUEJCOGCC-UHFFFAOYSA-N 438.814 4.293 5 20 IIBD CN(Cc1ccccc1NC(=O)NCCc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C 737002317 HSEDWOYXNIAUEC-UHFFFAOYSA-N 428.489 4.326 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])cc1[N+](=O)[O-])c1ccccn1 737580737 CUADWYHEVBWHSC-CQSZACIVSA-N 433.424 4.274 5 20 IIBD COc1ccc(N(Cc2ccco2)C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1F 739631925 RWESIZHOJGPWOK-UHFFFAOYSA-N 429.360 4.399 5 20 IIBD CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 742873974 YZQLJXZMIAKAKM-QFIPXVFZSA-N 435.521 4.048 5 20 IIBD COC(=O)[C@@H](OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)c1ccc(Cl)cc1Cl 744769433 NFPALVCGMBKAPG-HNNXBMFYSA-N 443.195 4.189 5 20 IIBD Cc1ccccc1C1(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCOCC1 744858593 NVPYUSYLTSDVLP-OAHLLOKOSA-N 446.887 4.175 5 20 IIBD CC(C)(CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccc2c(c1)OCO2 746807988 FPJTTZMAMRVZGF-UHFFFAOYSA-N 425.485 4.021 5 20 IIBD O=C(COc1ccc(Cc2ccccc2)cc1[N+](=O)[O-])c1ccc(N2CCOC2=O)cc1 748630459 HSABRRSLSISYQM-UHFFFAOYSA-N 432.432 4.404 5 20 IIBD CCN(C(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccc(S(=O)(=O)C(F)(F)F)cc1 750184793 FFPDSGMMRDPCDA-UHFFFAOYSA-N 436.795 4.208 5 20 IIBD O=C(Nc1cccc(-c2cccs2)c1)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 751266272 INNHBQUIGIDCEB-UHFFFAOYSA-N 427.394 4.255 5 20 IIBD CC(C)Sc1ccc([C@H](C)NC(=O)c2c3c(cc([N+](=O)[O-])c2[N+](=O)[O-])OCCO3)cc1 751267595 CANKEBURADCKBB-LBPRGKRZSA-N 447.469 4.266 5 20 IIBD C[C@@H](C[C@@H](O)c1cccs1)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 751942061 LQSYNUAZXWDTTO-IFXJQAMLSA-N 447.538 4.381 5 20 IIBD CC1([C@@H]2CCCN(C(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)C2)OCCO1 752634500 PPHLNGDRCXTBKN-MRXNPFEDSA-N 427.457 4.394 5 20 IIBD O=C(NC[C@@H](c1cccs1)N1CCCC1)Nc1ccc(Br)c([N+](=O)[O-])c1 755027873 DBXYKLGJYCGMIS-HNNXBMFYSA-N 439.335 4.377 5 20 IIBD C[C@@H](OC(=O)Cc1cccc(F)c1F)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 756493024 OVXDIHVDKQDBHD-LLVKDONJSA-N 447.419 4.109 5 20 IIBD O=C(COC(=O)c1c[nH]nc1-c1ccccc1Cl)Nc1ccc(Cl)cc1[N+](=O)[O-] 756602655 UDMVXIDJGARYEZ-UHFFFAOYSA-N 435.223 4.087 5 20 IIBD O=C(O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1csc(COc2ccc(F)cc2)n1 759938870 AHXAJTTYIUDMCB-DLBZAZTESA-N 446.460 4.307 5 20 IIBD O=C(NC[C@@H](O)c1cccc(OCc2ccccc2)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 761601508 VAEZOHOZZCLCOZ-XMMPIXPASA-N 447.491 4.212 5 20 IIBD COCc1ccc(-c2noc(-c3cc([N+](=O)[O-])ccc3I)n2)cc1 761700376 QLALDXATGMDVMS-UHFFFAOYSA-N 437.193 4.063 5 20 IIBD COc1ccc([C@@H](OC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)[C@@H](C)n2cccn2)cc1 764622235 VKHBEEMEKGUGHA-ZHRRBRCNSA-N 447.451 4.145 5 20 IIBD CCS[C@@H](C)c1noc(CN(C)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])n1 765624339 RDVUEKRJWKPPQW-QMMMGPOBSA-N 435.384 4.355 5 20 IIBD C[C@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC[C@@H]1NC(=O)OC(C)(C)C 769422126 DVIRAJPAMNPGQC-WFASDCNBSA-N 428.327 4.092 5 20 IIBD CC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)[C@H](c1ccc(C)cc1)n1cncn1 770011804 VGHAJBUVBNRMSB-MJGOQNOKSA-N 428.880 4.338 5 20 IIBD Cc1nc(COc2cccc(C(=O)O[C@H](c3cccnc3)c3ccccc3[N+](=O)[O-])c2)no1 776134969 FDZPEJTYWGSNAT-JOCHJYFZSA-N 446.419 4.207 5 20 IIBD Cc1nc(-c2ccc(Br)cc2Cl)nn1C[C@H](O)c1ccc([N+](=O)[O-])cc1 776277503 MVERMVCYMNCKSC-INIZCTEOSA-N 437.681 4.311 5 20 IIBD CCOc1cnc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2OCc2ccccc2)cn1 777430164 HQJWHPNIZRSWED-UHFFFAOYSA-N 428.832 4.268 5 20 IIBD O=C(N1CCO[C@@H](c2cccc(Br)c2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 778256471 MEAUZOZDBHDBFZ-MRXNPFEDSA-N 441.228 4.049 5 20 IIBD CC(=O)c1sc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc1-c1ccccc1 781561923 OHZMFJCUVPRLQZ-UHFFFAOYSA-N 440.437 4.400 5 20 IIBD CCOc1cccc2[nH]cc(CC(=O)O[C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c12 782458904 BZAZLGFLUMFJJN-ZDUSSCGKSA-N 436.424 4.372 5 20 IIBD O=C(Nc1cccc(COc2ccccc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 783502155 WITVALLFWISZMP-UHFFFAOYSA-N 425.828 4.404 5 20 IIBD C[C@@H](N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1ccc(N)c([N+](=O)[O-])c1 788615088 UXFABWHUMALZDX-QRQCRPRQSA-N 425.510 4.021 5 20 IIBD Cc1ccc(Cn2nc(C)c(C(=O)OCc3ncc(C)c([N+](=O)[O-])c3C)c2Cl)cc1 789445258 DOVCSKBDJZEPSF-UHFFFAOYSA-N 428.876 4.479 5 20 IIBD CCCOc1cc(NC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)c([N+](=O)[O-])cc1OCCC 790515623 DVILYSSAAHRBNC-QHCPKHFHSA-N 442.468 4.283 5 20 IIBD O=[N+]([O-])c1cc(Cl)c(Cl)cc1OCc1nnnn1-c1ccccc1Br 794495986 JDCCOVBMOWXWFE-UHFFFAOYSA-N 445.060 4.219 5 20 IIBD Cc1nc(SC(F)F)sc1CC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 795056755 KKKKDSOLWOORSW-UHFFFAOYSA-N 425.442 4.246 5 20 IIBD CC(C)c1[nH]nc(C(=O)OCC(=O)N2c3ccccc3CCc3ccccc32)c1[N+](=O)[O-] 796257617 RXIWWBCRAPNJBU-UHFFFAOYSA-N 434.452 4.062 5 20 IIBD CSCCCCCCNC(=O)c1cc([N+](=O)[O-])cc(I)c1C 800938814 SLOKJABOZZOKFW-UHFFFAOYSA-N 436.315 4.161 5 20 IIBD O=C(CCc1nnc(-c2cc3ccccc3o2)o1)OCc1c(F)cc([N+](=O)[O-])cc1F 803333771 VUAGAYOMAHDOHO-UHFFFAOYSA-N 429.335 4.345 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 810929996 BKOCFNMNZJFJLB-UHFFFAOYSA-N 449.345 4.279 5 20 IIBD O=C(N[C@@H]1c2ccccc2CC12CCOCC2)c1cccc([N+](=O)[O-])c1Br 812315503 YKSVDICJTMMYIM-GOSISDBHSA-N 431.286 4.181 5 20 IIBD CN(CCc1cccc(Br)c1)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 812772129 IQFXPEJBVVKVRC-UHFFFAOYSA-N 429.673 4.393 5 20 IIBD C[C@H](c1ccc(F)cc1)N1CCC[C@H](OC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1=O 816402007 BVHABHCBUUVYEY-YJYMSZOUSA-N 426.400 4.389 5 20 IIBD Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 848960208 YFUSJCSMNBBKCJ-UHFFFAOYSA-N 427.844 4.150 5 20 IIBD CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)OC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 857831322 SECORPQMCYHZJV-LBPRGKRZSA-N 435.392 4.209 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Oc1ccc(Oc2ccccn2)cc1 875002558 SNVNGGPVEYRQEL-UHFFFAOYSA-N 435.392 4.076 5 20 IIBD CC(C)[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N)C(=O)Nc1cc(Cl)ccc1Cl 915382412 DANDBYFAJGCQQW-INIZCTEOSA-N 426.256 4.304 5 20 IIBD COCCCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 916060240 HTHTZNDNPIUEQX-UHFFFAOYSA-N 425.529 4.210 5 20 IIBD CC1=C(C(=O)N(C)C)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1c1ccc(C)cc1 916162861 ZKLDFEPLUCBZRB-LJQANCHMSA-N 428.876 4.190 5 20 IIBD COc1ccc([C@H]2CCCN2C(=O)CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)c(OC)c1 917074698 HCIKSQGQTGIQAP-HXUWFJFHSA-N 447.919 4.061 5 20 IIBD COc1ccc(NC(=O)c2ccccc2NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)cc1 917348382 SKXZVCCZXOIQMU-UHFFFAOYSA-N 435.436 4.182 5 20 IIBD COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c1 918637644 WETSQVFMANMOPT-UHFFFAOYSA-N 446.416 4.419 5 20 IIBD CC(C)[C@@H](CNC(=O)COC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 918801980 LVGBLZLUYUOWJI-MRXNPFEDSA-N 449.301 4.070 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)O[C@H](C(=O)Nc2ccc3c(c2)CCC3)C(C)C)cc1[N+](=O)[O-] 919228391 QAPCEJRLJJUIJV-FQEVSTJZSA-N 441.440 4.120 5 20 IIBD Cc1nccn1-c1ncccc1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 919983063 SRKPDCHFXMANMF-UHFFFAOYSA-N 428.452 4.348 5 20 IIBD Cc1cc(C(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCCO3)cc([N+](=O)[O-])c1 920842005 QGHJMPRXHFPWLK-UHFFFAOYSA-N 433.420 4.179 5 20 IIBD C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1cccc(NC(=O)c2ccccc2)c1 921266340 IBTXKEIUGPNWGV-OAHLLOKOSA-N 437.427 4.242 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCc3c(ncn3-c3ccc(F)cc3)C2)c(Br)c1 1325790911 OUNPDQBRROTFEQ-UHFFFAOYSA-N 431.265 4.240 5 20 IIBD CCOCCCn1c(-c2ccccc2Cl)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1325968128 OVFUMKNSZYJJBQ-UHFFFAOYSA-N 441.919 4.496 5 20 IIBD CCN(CC)C1CCN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 1327151423 VWVJJMYBUBORQH-QGZVFWFLSA-N 425.533 4.109 5 20 IIBD Cc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(Cl)c2)C3)cc1[N+](=O)[O-] 1800138271 RLJIQCGJNCKREH-ACDBMABISA-N 441.915 4.051 5 20 IIBD CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCc2cc(C)c(F)cc2[N+](=O)[O-])[nH]n1 1816771628 OCRULGKABRUVMO-GOSISDBHSA-N 445.495 4.190 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)[nH]n1)c1ccccc1 1820404051 MAEBSILRXGFHRR-LJQANCHMSA-N 437.431 4.077 5 20 IIBD C/C=C/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1831364731 NRKJRQRDUIDLOK-NKLOFGTRSA-N 429.492 4.100 5 20 IIBD Cc1cc(Cl)cc(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C3)c1 1846814467 WGUOCGMDXCBDHH-BQYQJAHWSA-N 439.899 4.087 5 20 IIBD CSc1ccc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc1[N+](=O)[O-] 19604190 IBBRXGLMATWERS-UHFFFAOYSA-N 430.511 4.015 5 20 IIBD CCn1c(SCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])nnc1-c1ccccc1OC 21991508 CHLQJKVWRFBXJK-UHFFFAOYSA-N 447.904 4.266 5 20 IIBD CCC(CC)NC(=O)[C@H](C)OC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 22669993 ADQAOEAJOYAWPW-ZDUSSCGKSA-N 446.887 4.329 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CSc1nnc(C2CC2)n1-c1cccc(NC(C)=O)c1 26134807 SVBPDYYVXYJZEA-UHFFFAOYSA-N 439.497 4.312 5 20 IIBD C[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccc(OCc2cccnc2)cc1 32252691 CQOCJLZZVIRLKO-QGZVFWFLSA-N 443.463 4.246 5 20 IIBD CCOC(=O)c1cc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)cc([N+](=O)[O-])c1 32505589 DHCXTWBDRJEQAZ-UHFFFAOYSA-N 440.452 4.085 5 20 IIBD CCOC(=O)c1sc2nc(CN(C)C)nc(Oc3ccc([N+](=O)[O-])c(C)c3)c2c1C 60552026 XWSPGKZZBPMIHY-UHFFFAOYSA-N 430.486 4.247 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N(CCO)Cc3ccccc3)cc2[N+](=O)[O-])n1 60619109 QAIQSFHTTWPWDD-UHFFFAOYSA-N 429.523 4.146 5 20 IIBD O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(Br)cc1C(F)(F)F 107080560 PZTVKNOEYVOIEA-UHFFFAOYSA-N 425.182 4.177 5 20 IIBD Cn1ccnc1-c1cccc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 117347409 BBHLSXUHGSMTCT-UHFFFAOYSA-N 433.390 4.455 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)c1c(C)nn(Cc2ccccc2Cl)c1C 195589800 AHFYPWLOSPMDSE-UHFFFAOYSA-N 428.876 4.048 5 20 IIBD COc1ccc(CNC2CCN(CC(C)C)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 237322294 UUUUIMHNTTXCSF-UHFFFAOYSA-N 427.545 4.392 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N(c1cccc(N2CCCC2)c1)C1CCCCCC1 303803004 SWAKIOAZUJDETM-UHFFFAOYSA-N 438.528 4.113 5 20 IIBD COc1ccc(CN[C@@H](C(=O)O)c2ccccc2F)cc1OCc1ccc([N+](=O)[O-])cc1 426768978 DXLZKVONJAHEHA-JOCHJYFZSA-N 440.427 4.237 5 20 IIBD O=C(O)[C@H](Cc1ccccc1[N+](=O)[O-])NCc1ccc(-c2ccc(Br)cc2)o1 426810198 IJHLUZOURXDKLZ-KRWDZBQOSA-N 445.269 4.403 5 20 IIBD O=C(N[C@H]1CCn2ccnc2C1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 428353073 SRWPBMHGZVGWAR-AWEZNQCLSA-N 428.901 4.341 5 20 IIBD CCOC(=O)c1cc(CC)sc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 429950673 XJJQHTDCJMNBLX-UHFFFAOYSA-N 427.276 4.410 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N(CCc1ccccn1)Cc1cccnc1 431308212 UMTQFDVJQNVKTL-UHFFFAOYSA-N 441.285 4.032 5 20 IIBD COC(=O)c1cc(C(=O)N2CC3(CCC3)c3cc(Br)ccc32)cc([N+](=O)[O-])c1 433730143 RTGLLLIGGJSKQC-UHFFFAOYSA-N 445.269 4.226 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2C[C@H](c3ccccc3)C(C)(C)C2)ccc1[N+](=O)[O-] 434245968 OQSJJPWKAWBSSP-IFMALSPDSA-N 435.524 4.160 5 20 IIBD O=C(Nc1ccc(-c2csnn2)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 437826435 WHBOMSHCWUMOTC-UHFFFAOYSA-N 425.470 4.189 5 20 IIBD C[C@@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1)n1nnc(-c2ccccc2)n1 440608788 BMRUDWUWRZQPLJ-KRWDZBQOSA-N 428.452 4.043 5 20 IIBD C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 441083388 DLNZMECSPCFAAV-NEPJUHHUSA-N 428.436 4.277 5 20 IIBD C[C@@H](O)C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccccc1 444229739 WHUZBHZIPYWYAV-ZBFHGGJFSA-N 436.458 4.244 5 20 IIBD O=C(NCc1ccccc1-n1ccnc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444285298 GVJDSIBQVRZOAQ-UHFFFAOYSA-N 430.414 4.075 5 20 IIBD C[C@@H]1[C@H](c2ccc(Br)cc2)OCCN1Cc1nc2ccc([N+](=O)[O-])cc2[nH]1 444664355 NNWYUEPSJNWLSY-CWTRNNRKSA-N 431.290 4.196 5 20 IIBD O=C(Cc1noc(CCNc2ccccc2[N+](=O)[O-])n1)Nc1cc(Cl)ccc1Cl 445340462 IHZOIEMYJIPFPH-UHFFFAOYSA-N 436.255 4.120 5 20 IIBD C[C@@H](Cc1ccccc1Cl)C(=O)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 460338515 KDNZRJUDKSQXAD-HNNXBMFYSA-N 441.919 4.042 5 20 IIBD CCC[C@@H](NC(=O)[C@H](CC)Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2sccc2C1 462482103 DQOBBXZQGORRLW-YLJYHZDGSA-N 443.569 4.095 5 20 IIBD C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 462580715 PJVDLQCTTGIOLE-JLTOFOAXSA-N 437.525 4.318 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN3CCC(F)(F)[C@@H](CO)C3)o2)c(Br)c1 462862403 NRIMHDDTTYHZJV-LLVKDONJSA-N 431.233 4.067 5 20 IIBD CC(=O)N1CCCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC1 466598070 QJMJFQKESSKHHS-UHFFFAOYSA-N 433.917 4.094 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@@](C)(OC)C1(C)C 467019686 BRMIJEXAMOETOD-TZIWHRDSSA-N 449.529 4.020 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 467224267 USCJINRCXYAERD-IRXDYDNUSA-N 428.247 4.370 5 20 IIBD COc1cc(C(=O)N2CCCc3c([nH]c4c(F)cccc34)C2)c([N+](=O)[O-])cc1OC(F)F 467801409 SBOSUMIUQWKVMH-UHFFFAOYSA-N 449.385 4.414 5 20 IIBD CC(C)(C(=O)NCc1nc(-c2cccc(Br)c2)no1)c1ccc([N+](=O)[O-])cc1 468613352 VFZVAYWUBIWZLN-UHFFFAOYSA-N 445.273 4.001 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)c1 470341754 FZYQETQRUNLLGF-UHFFFAOYSA-N 447.314 4.195 5 20 IIBD CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 472628484 RSPRKQKUEYGCND-ZDUSSCGKSA-N 428.247 4.117 5 20 IIBD CCOc1cc(N2CCN(C(=O)N[C@@H]3CCSc4ccccc43)CC2)ccc1[N+](=O)[O-] 473969628 MKIWGMGRVCMPMX-GOSISDBHSA-N 442.541 4.062 5 20 IIBD CC(C)CCSc1ccc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] 478723938 NTPWHINJYZVHQN-UHFFFAOYSA-N 436.555 4.067 5 20 IIBD CCC[C@@H](C)N1Cc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc34)c2C1 479148184 PTTKOACGPHZVRG-OAHLLOKOSA-N 440.525 4.448 5 20 IIBD CN1C(=O)N(Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C(=O)[C@@H]1c1cc(F)c(F)c(F)c1 479176908 JMRPQNAFBWIEKX-HNNXBMFYSA-N 447.291 4.166 5 20 IIBD C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCCn2ccc([N+](=O)[O-])n2)nnc1-c1ccco1 481251490 AAKAAQLPAIFFLC-UGUYLWEFSA-N 428.518 4.432 5 20 IIBD COc1ccc(CNc2cc(NC(=O)CN3CCCC[C@H]3C)ccc2F)cc1[N+](=O)[O-] 482556972 XDDSNIFJXMELQW-OAHLLOKOSA-N 430.480 4.168 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)cc1SC 482692704 NGPICDHYVPULKI-UHFFFAOYSA-N 444.494 4.286 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(NC(=O)c2ccccn2)c1 482848829 ONSVRPQQOLGWDC-UHFFFAOYSA-N 436.493 4.284 5 20 IIBD CCN(Cc1ccccc1)C(=O)CNC(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C 484117386 VPBCBMQMCSGOGU-UHFFFAOYSA-N 429.542 4.121 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)s1 485420193 HDRWIXDWGOYCNW-MGCOHNPYSA-N 449.323 4.320 5 20 IIBD CSc1cccc(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-] 486234571 YPORBQRZYDNXFS-UHFFFAOYSA-N 435.811 4.193 5 20 IIBD COc1ccc(-c2nc(Sc3ccc([N+](=O)[O-])cc3Br)n[nH]2)c(OC)c1 486489900 PGVSTMHXLOXFQU-UHFFFAOYSA-N 437.275 4.311 5 20 IIBD CC[C@H](NC(=O)N(CCO)Cc1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 487430292 LAZUQMGOOSBAAD-SFHVURJKSA-N 436.306 4.013 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(Br)cc1C 487467047 CVTIRDLRKUPLRS-UHFFFAOYSA-N 439.331 4.334 5 20 IIBD Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c(C)c1 488094148 BOZPOKNLYWKORK-BEFAXECRSA-N 445.566 4.232 5 20 IIBD CCn1c(SCC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)nnc1-c1cccs1 488099600 XPAPDIWPUZCDRZ-CYBMUJFWSA-N 431.543 4.213 5 20 IIBD O=C(Nc1ccccc1)c1ccc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1 488726500 ODBDMOXDOBEJOX-UHFFFAOYSA-N 427.420 4.285 5 20 IIBD COc1cc(CN2C[C@H](C)O[C@@H](c3ccsc3)C2)c([N+](=O)[O-])cc1OCC(F)F 490600225 ZYOCHOJCZXQDNF-KPZWWZAWSA-N 428.457 4.271 5 20 IIBD COc1ccc(CNC(=O)N[C@H]2CSc3ccc(Br)cc32)cc1[N+](=O)[O-] 494368015 OLRCDMAFYFNISL-ZDUSSCGKSA-N 438.303 4.012 5 20 IIBD Cc1nncn1-c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c1 497415574 HKMHUCIOYMVORZ-UHFFFAOYSA-N 428.452 4.348 5 20 IIBD O=C(c1cncc(-c2ccc3c(c2)CCO3)c1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 498153367 OXWKSGATEMVKAM-QHCPKHFHSA-N 433.489 4.480 5 20 IIBD C[C@H](NC(=O)N(C)CCc1ccccc1[N+](=O)[O-])c1noc(-c2ccc(Cl)cc2)n1 498886973 AHWXLCIXQGQKTB-ZDUSSCGKSA-N 429.864 4.243 5 20 IIBD O=C(Nc1cccc(CN=c2c(Br)c[nH]cc2[N+](=O)[O-])c1)c1ccccc1 500250513 CUJZGFVMTYMRCZ-UHFFFAOYSA-N 427.258 4.039 5 20 IIBD CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c1 500946491 PBCVKEIEFWQOTN-UHFFFAOYSA-N 443.790 4.459 5 20 IIBD COC(=O)[C@@H](C)NC(=O)c1ccc(N[C@@H](C)c2cc3ccccc3s2)c([N+](=O)[O-])c1 501276117 UZFBVIZPBPCJET-QWHCGFSZSA-N 427.482 4.274 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1 503674717 VVWKTBGAXWVKIR-UHFFFAOYSA-N 427.819 4.309 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCCc2ccc(NC(C)=O)cc2)cc1 504775661 NQMINOQVIHMQHU-UHFFFAOYSA-N 449.463 4.327 5 20 IIBD COc1ccc([C@H](NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)C(F)(F)F)cc1 505403539 QEMJEVRBRIYNKH-SFHVURJKSA-N 444.431 4.265 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN2CCN(c3ncccn3)CC2)cc1 505852860 BHKWFYRHCDGNTH-UHFFFAOYSA-N 425.876 4.153 5 20 IIBD Cc1cc(CC(C)(C)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)ccc1Br 508487752 HBKGEQRYLWIEAW-UHFFFAOYSA-N 449.349 4.295 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2CCCC[C@@H]21 509026469 LAOUORQDIQOMCN-LRDDRELGSA-N 428.270 4.303 5 20 IIBD O=C(Nc1ccccc1OC[C@@H]1CCCCO1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 509992073 KSAHOQXDSHRDRP-SFHVURJKSA-N 425.485 4.395 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@H]2CCc3ccccc3OC2)cc1[N+](=O)[O-])c1ccccn1 511626606 OQWHVZYHFSTUIN-LPHOPBHVSA-N 432.480 4.287 5 20 IIBD COc1cc(CN2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c([N+](=O)[O-])cc1OC(F)F 512280279 VURCPVQAROTKKZ-HSZRJFAPSA-N 447.482 4.303 5 20 IIBD CC(C)(C)c1ccc(C(C)(C)CNC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)cc1 513621410 GLBOSSFKVXILER-UHFFFAOYSA-N 432.542 4.003 5 20 IIBD O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1F 515788730 CEJPVMROLOYKFU-INIZCTEOSA-N 426.231 4.284 5 20 IIBD COc1ccc([C@@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccc(C)cc2)cc1 518588356 HLCWOIBRWDRYPL-QFIPXVFZSA-N 433.464 4.065 5 20 IIBD CCCN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)C(=O)Nc1ccccc1 522647810 HLRRYMODXWJYHS-HNNXBMFYSA-N 433.892 4.283 5 20 IIBD CCC[C@H](O)CNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 522766404 MUVWLMQYZNNEGU-AWEZNQCLSA-N 425.844 4.140 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCc2oc3ccc(F)cc3c2C)ccc1[N+](=O)[O-] 522793194 WMIDFICECSHPEZ-IBGZPJMESA-N 439.443 4.018 5 20 IIBD O=C(NC1(c2ccc3c(c2)OCCO3)CCCC1)c1ccc([N+](=O)[O-])cc1Br 523487683 SKHUTHLUVMDVKX-UHFFFAOYSA-N 447.285 4.328 5 20 IIBD CC[C@H]1c2ccsc2CCN1C(=O)COc1c(Br)cccc1[N+](=O)[O-] 533201911 DTOIRLJORKWPKU-ZDUSSCGKSA-N 425.304 4.334 5 20 IIBD CC[C@](C)(COc1ncccc1Cl)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 534544657 DAODHEGBKJJIQJ-GOSISDBHSA-N 427.288 4.072 5 20 IIBD CCNc1ccc(C(=O)NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] 534963843 NLYKTGHEDXLWQK-QRWLVFNGSA-N 434.899 4.242 5 20 IIBD O=C(NCCNc1ncnc2ccc([N+](=O)[O-])cc12)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 536097912 GAPBFKXNXHSUFU-LSDHHAIUSA-N 446.294 4.177 5 20 IIBD CSc1ccccc1N(C)C(=O)c1cc(I)cc([N+](=O)[O-])c1 536581725 LRKIWPGAEUGGBL-UHFFFAOYSA-N 428.251 4.198 5 20 IIBD O=C(Nc1cccc(OCc2cccnc2)c1)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 537216025 NYASYKWLRPORMX-UHFFFAOYSA-N 448.464 4.090 5 20 IIBD Cn1cc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(-c2ccccc2)n1 539135009 MDYBPLREHMWPGV-UHFFFAOYSA-N 433.390 4.455 5 20 IIBD COc1ccc(CSCC(=O)Nc2cc(C)n(-c3ccc(C)cc3)n2)cc1[N+](=O)[O-] 540548514 XYMLFBCNFXFUQH-UHFFFAOYSA-N 426.498 4.278 5 20 IIBD CC[C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])Oc1ccccc1C(F)(F)F 542121798 BOQAENHORXMUGT-SNVBAGLBSA-N 438.449 4.348 5 20 IIBD COc1ccc2c(c1)C[C@H](C)N(C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@H]2C 542860531 YKFNAYYQABVGPV-RYUDHWBXSA-N 436.411 4.361 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCOC[C@H]2c2noc(C(C)C)n2)cc1OC 543430730 UGUSDDWPNCKDRU-QAPCUYQASA-N 448.520 4.108 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CCC(N2CCCCC2=O)CC1 543457846 UGUUSHQPWUPPEP-UHFFFAOYSA-N 445.585 4.494 5 20 IIBD CC(C)C(=O)NC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 544426480 DWDCTKFVPXPSIB-UHFFFAOYSA-N 433.574 4.254 5 20 IIBD Cc1nc(-c2cccc(-c3noc(Cc4cc5c(cc4[N+](=O)[O-])OCCO5)n3)c2)cs1 544758044 UHEXDXYZRVVHSD-UHFFFAOYSA-N 436.449 4.439 5 20 IIBD Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1 544788190 PLAMLCSNSPTGMH-UHFFFAOYSA-N 436.815 4.213 5 20 IIBD Cc1cc(Br)ccc1C(=O)N1CCC(NCCc2ccc([N+](=O)[O-])cc2)CC1 545457217 AJLPAMVZIBIYHA-UHFFFAOYSA-N 446.345 4.103 5 20 IIBD COCCOc1ccc(Cc2noc([C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 546483801 MXLUNHLHWHIYPX-CYBMUJFWSA-N 433.848 4.387 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3nc([C@@H]4Cc5ccccc54)no3)cc2)c1 546994010 INAZTLWKDJERGJ-HXUWFJFHSA-N 448.460 4.134 5 20 IIBD NC(=O)NC(=O)c1cccc(NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)c1 554936070 NRGLLTLWJPJUEZ-UHFFFAOYSA-N 440.843 4.461 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])c1nnc(Cc2ccccc2F)n1C[C@H]1CCCCO1 555457362 FPHJNPNZFFLJGZ-LJQANCHMSA-N 439.491 4.122 5 20 IIBD CCC[C@H](C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccccn1 555540692 SZRYNMZUPGNJLJ-INIZCTEOSA-N 436.434 4.241 5 20 IIBD CC(C)(C)[C@@H](NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(F)cc1 556231306 NAVLCKOXBMLYFO-FQEVSTJZSA-N 427.476 4.129 5 20 IIBD CCCc1c(C(=O)N(C)c2cccc([N+](=O)[O-])c2)cnn1-c1cc(F)c(OC)cc1F 561765731 RWIVOKYMCMSKQX-UHFFFAOYSA-N 430.411 4.296 5 20 IIBD CCS(=O)(=O)c1ccc([C@H](C)NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 563704448 YBTGGUVKYLFHDT-ZDUSSCGKSA-N 445.522 4.003 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 563853558 ZOAQJDDWUNJGRR-QGZVFWFLSA-N 444.793 4.289 5 20 IIBD CCCC[C@@H](C)N(CCCC)C(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 568432543 AMLWFXLLKMCPJN-GOSISDBHSA-N 432.565 4.084 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N1CCC[C@@H](c2nc3ccccc3s2)C1 570034520 XUZGPCTXWRTNIH-CYBMUJFWSA-N 436.497 4.170 5 20 IIBD O=[N+]([O-])c1ccc(C(F)(F)F)c(CN[C@@H](CO)c2ccc(Br)c(F)c2)c1 570811570 IBBKRHVSRHKEEP-HNNXBMFYSA-N 437.187 4.338 5 20 IIBD CCN(CC)[C@@H](c1cccc(C(F)(F)F)c1)c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 571721417 RHYXDLQANJZGKR-SFHVURJKSA-N 435.406 4.414 5 20 IIBD Cc1ccc(-c2noc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)n2)cc1[N+](=O)[O-] 571936453 XRVXZVGFHVIHKE-UHFFFAOYSA-N 436.449 4.421 5 20 IIBD CCCCOc1ccc(C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c(Cl)c1 573519616 DICJYAQOLJUERZ-UHFFFAOYSA-N 445.903 4.025 5 20 IIBD CC(C)[C@@H]1CN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCCO1 575089781 ZRGHDYNNHOAGCS-QHCPKHFHSA-N 448.523 4.264 5 20 IIBD O=C1C[C@H](c2noc(-c3cc([N+](=O)[O-])ccc3C(F)(F)F)n2)CN1Cc1ccccc1 575442270 SMPMTRFJPFIBCZ-ZDUSSCGKSA-N 432.358 4.180 5 20 IIBD Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 579987923 MHPZSSQRCOCPAV-INIZCTEOSA-N 446.573 4.142 5 20 IIBD CC(=O)N(c1ccc(C)cc1)c1nc(CN2CCOc3ccc([N+](=O)[O-])cc3C2)cs1 581517752 VJNQOJFFQUYFKA-UHFFFAOYSA-N 438.509 4.439 5 20 IIBD COc1cc(OC)c(C2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)c(OC)c1 603645911 ALYAKGXGMXLOBR-UHFFFAOYSA-N 429.473 4.341 5 20 IIBD COc1ccc(CN2C(=O)[C@@H](c3cccs3)N(Cc3ccccc3)C2=O)cc1[N+](=O)[O-] 603678098 WTRXVEOBDIZFSS-HXUWFJFHSA-N 437.477 4.371 5 20 IIBD COC(=O)c1sc2[nH]c(/C=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)nc(=O)c2c1C 603784343 KRNRVCXIJKVYBW-VQHVLOKHSA-N 437.433 4.418 5 20 IIBD Cc1cc(COc2ccc(C(=O)NCc3cccc([N+](=O)[O-])c3)cc2Br)no1 604470664 UNNZCBUTOAPEAA-UHFFFAOYSA-N 446.257 4.163 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)c([N+](=O)[O-])c1 608929161 LGLIBQBWJOOORN-UHFFFAOYSA-N 442.497 4.248 5 20 IIBD COc1ccc(CC(=O)NC2(c3ccc(Br)cc3)CCCC2)cc1[N+](=O)[O-] 609010749 GLPUOJIOILBLMT-UHFFFAOYSA-N 433.302 4.494 5 20 IIBD CCSc1ccc([C@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 609504875 ITVKDAGZPOKWIB-BBRMVZONSA-N 433.555 4.250 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 609576912 KLBMTPNYGZSSJW-UHFFFAOYSA-N 444.285 4.250 5 20 IIBD CN(C)c1ncc(CNCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)cn1 609805231 XGOPRIIFSPPILY-UHFFFAOYSA-N 431.855 4.325 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(OC)c(Cc2ccccc2)c1 609841842 SBCQSDFERARSIV-LJQANCHMSA-N 437.500 4.065 5 20 IIBD COc1cc(OC)c(C2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)c(OC)c1 609873836 LBXDHNXHPXEORO-UHFFFAOYSA-N 434.876 4.294 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCc3ccc(O)cc3CC2)cc1[N+](=O)[O-])c1ccccn1 609920906 OESAODMXWMRQAB-MRXNPFEDSA-N 432.480 4.110 5 20 IIBD O=C(Nc1ccccc1I)c1ccc([N+](=O)[O-])cc1Br 610036058 IINOVVSOYMMCMM-UHFFFAOYSA-N 447.026 4.214 5 20 IIBD CN(C)C(=O)C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c2ccc(Cl)cc21 610177757 ATGCYIWUHOROKA-CYBMUJFWSA-N 436.295 4.053 5 20 IIBD CN(C(=O)c1cnnn1-c1ccccc1Cl)c1nc(-c2ccccc2[N+](=O)[O-])cs1 611400683 AIEGSUFCRYTSAY-UHFFFAOYSA-N 440.872 4.229 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1OCc1nccn1CC(F)(F)F 612661307 XZPKUSAUKXZBSO-UHFFFAOYSA-N 431.168 4.243 5 20 IIBD Cc1c(C(=O)N2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)oc2c(F)cccc12 614036475 NDXREHMWBGVVOO-UHFFFAOYSA-N 437.431 4.017 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1cccc(SC(F)F)c1 728506550 AZCZTJFDUKIYEH-UHFFFAOYSA-N 439.259 4.473 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@H](C(=O)NC2CCCCCC2)C(C)C)cc1SC 728649541 MJRLOMPTYYQCCP-IBGZPJMESA-N 438.546 4.346 5 20 IIBD CC(C)COc1ccc(CC(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1 730399828 TWYABKLQOPCLSB-UHFFFAOYSA-N 427.501 4.027 5 20 IIBD O=C(Nc1nnc(Cc2ccccc2F)s1)c1cc([N+](=O)[O-])ccc1Br 730984125 UCDKYYOBEUQVDX-UHFFFAOYSA-N 437.250 4.191 5 20 IIBD COc1ccc(NC(=O)OC(C)(C)C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 732525365 JTNVPPGNFIMXMW-UHFFFAOYSA-N 437.474 4.060 5 20 IIBD CC(C)Oc1cccc([C@H](O)CNc2ccc(I)cc2[N+](=O)[O-])c1 735075957 HNGLRBVVLDEGGU-QGZVFWFLSA-N 442.253 4.132 5 20 IIBD COc1ccc([C@H]2[C@@H](COC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)CCN2C)cc1 741120133 AOYRLCLLNRJZSG-XXBNENTESA-N 439.512 4.053 5 20 IIBD C[C@@H](NC(=O)c1ccccc1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 742579800 MFSWDMSGINIPDP-OAHLLOKOSA-N 437.427 4.242 5 20 IIBD CCOc1cc(N2CCC(OC(=O)CCC(=O)c3ccccc3)CC2)ccc1[N+](=O)[O-] 744201872 STTYYXGCSRKINJ-UHFFFAOYSA-N 426.469 4.169 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1Cl 745564770 FQHZPRPLUCUEHU-SNVBAGLBSA-N 430.766 4.301 5 20 IIBD Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 747635716 YHIGGJWUHBPQNP-WIYYLYMNSA-N 434.521 4.475 5 20 IIBD O=Cc1ccc([N+](=O)[O-])c(OCC(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)c1 748150320 HZZNYVWGHLUTLI-FQEVSTJZSA-N 443.459 4.216 5 20 IIBD COC(=O)c1cc(Br)cc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])c1Cl 749175828 DHHRZJKZNVWKDB-UHFFFAOYSA-N 449.591 4.328 5 20 IIBD O=C(NCc1ccccc1Cn1cccn1)c1cc(Br)cc([N+](=O)[O-])c1Cl 749409748 HLYHSULKMHXNDW-UHFFFAOYSA-N 449.692 4.186 5 20 IIBD CCCN1CCC[C@@H]1C(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 749563878 TVWRJDZTHFRKEM-LJQANCHMSA-N 431.876 4.280 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Oc1ccc(Oc2nccs2)cc1 750759397 BFYZXCDJLVLVRV-UHFFFAOYSA-N 441.421 4.137 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(Cc2ccccc2)C[C@H](O)c2ccsc2)cc1C 751496208 UCWIAYXOFATBQP-FQEVSTJZSA-N 446.550 4.198 5 20 IIBD Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 753045452 FFWUNSYNZWOYFM-VQIMIIECSA-N 444.329 4.422 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@@H](C)c1ncc(-c2ccc(Cl)cc2Cl)o1 753352844 GJDPFOVCFIZRBO-VIFPVBQESA-N 425.228 4.366 5 20 IIBD C[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1Br)c1ccc([N+](=O)[O-])cc1F 754293552 UWDDUICKEBRIQB-VIFPVBQESA-N 427.182 4.252 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@@H](C)CSc1ccc(F)cc1 756731340 XDCVDOHGTHGBFA-QWHCGFSZSA-N 436.461 4.041 5 20 IIBD Cc1ccc(C(=O)CC(C)(C)CC(=O)OCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 759837905 WDGIHNNUHWLWDT-UHFFFAOYSA-N 438.480 4.025 5 20 IIBD O=C(O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1cccc(NC(=O)c2cccs2)c1 759937954 JFUYJZNSOSKFAP-DLBZAZTESA-N 440.481 4.446 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)NCc1ccccc1OC1CCCC1 763720179 PTBKUJSDJHJXHB-UHFFFAOYSA-N 432.860 4.043 5 20 IIBD C[C@@H](C(=O)Nc1ccccc1Br)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 764303235 JYWBHSJDQZVLED-NSHDSACASA-N 426.698 4.470 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCCCC[C@H]1C[C@H](O)c1ccccc1 765173290 GJZMOAYMQAJVQS-CVDCTZTESA-N 434.496 4.289 5 20 IIBD COc1cc(COC(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)c([N+](=O)[O-])cc1F 766214031 ABPGLLRTHBHVSK-UHFFFAOYSA-N 435.795 4.122 5 20 IIBD C[C@H](Sc1nnc(-c2cccc(Cl)c2)n1C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 768419369 XAMYQODRDLEOBF-JTQLQIEISA-N 435.868 4.302 5 20 IIBD C[C@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C 769425854 ZDPKJTIFJKTNEZ-SWLSCSKDSA-N 428.327 4.092 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CN3CCC(O)(c4ccccc4C(F)(F)F)CC3)n2)c1 769836871 HIEPYELJWWNMOQ-UHFFFAOYSA-N 448.401 4.147 5 20 IIBD CC(C)[C@@H](C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)S(=O)(=O)C1CCCCC1 770330014 GBLJVOXJDBCVFX-INIZCTEOSA-N 447.351 4.068 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1NC(=O)OC(C)(C)C 772288975 XTQIRBMWGKMHRJ-AWEZNQCLSA-N 443.456 4.434 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCN1C(=O)OC(C)(C)C 773788253 PDFBIHXJGZUHTA-HIFRSBDPSA-N 446.529 4.236 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] 774199439 KSFOLKGKUCMMJD-JDNHERCYSA-N 429.217 4.142 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)OC[C@H]1CC(=O)N(Cc2ccccc2)C1 775248428 CAOCPGBGKFXILX-KRWDZBQOSA-N 428.510 4.301 5 20 IIBD C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F 777120875 CCJFTNDSLKRZAR-SGTLLEGYSA-N 445.825 4.005 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)c2cccc(Cl)c2Cl)cc1[N+](=O)[O-] 777953261 KVIDIBFFMOYBCP-SECBINFHSA-N 448.284 4.119 5 20 IIBD Cc1c(C(=O)O[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 782985818 KDRVHOFALFXEIW-JTQLQIEISA-N 432.776 4.433 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Oc2ccc(F)c(C(F)(F)F)c2)ccc1[N+](=O)[O-] 786656008 NDSRCQPXNBQVPX-KRWDZBQOSA-N 440.349 4.271 5 20 IIBD C[C@](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)(C(=O)O)c1cccc(Br)c1 788321006 PVYKQSPVEQLLBI-MRXNPFEDSA-N 442.653 4.132 5 20 IIBD C[C@H]1C[C@H](CCNC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C[C@@H](C)O1 790853697 XYTIRGSBOUEBDF-BTTYYORXSA-N 440.338 4.019 5 20 IIBD Cc1onc(-c2cccc(Cl)c2)c1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 794863314 FZIFBWCWWLFVAP-UHFFFAOYSA-N 426.860 4.174 5 20 IIBD O=C(COC(=O)C1CC(c2ccc(F)cc2)C1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 796107884 CCOKNLKPTBUTBD-UHFFFAOYSA-N 440.349 4.428 5 20 IIBD CC(C)c1[nH]nc(C(=O)O[C@@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)c1[N+](=O)[O-] 796258369 SMUYRHQMBHHRCB-MRXNPFEDSA-N 442.394 4.280 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(=O)N1CCC(F)(F)CC1 797383326 YYPIPBAAAXGARF-UHFFFAOYSA-N 427.454 4.004 5 20 IIBD CC(C)(C)Nc1ccccc1NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 799125736 LPZYNAMIKNKGAW-UHFFFAOYSA-N 428.308 4.369 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 799235362 XMRKFWNEBGAUPS-GOEBONIOSA-N 436.509 4.151 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 799784146 PZQJTGCDEJPOHC-CVEARBPZSA-N 437.562 4.229 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H](C)C(c1ccccc1)c1ccccc1 800597097 KKAGQOFLKDLLJP-MRXNPFEDSA-N 435.455 4.318 5 20 IIBD CCS(=O)(=O)c1ccc(Cl)c(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c1Cl 801091424 VCVHOPDMBSXBLV-UHFFFAOYSA-N 445.324 4.010 5 20 IIBD COc1cc(CNCC(F)(F)Br)ccc1OCc1ccc([N+](=O)[O-])cc1 808419482 ILFKISFCKPQQDD-UHFFFAOYSA-N 431.233 4.260 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CCC(OCc3ccccc3)CC2)c1Cl 809390520 BKJUJFBUOVWLIL-UHFFFAOYSA-N 445.324 4.272 5 20 IIBD C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 816819264 YVJALCZJSJLTTE-KPZWWZAWSA-N 442.365 4.120 5 20 IIBD COc1ccc(-c2cnc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3Br)n2C)cc1 819417682 SAMIFHRZCZOYIU-UHFFFAOYSA-N 449.236 4.158 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1cc(Cl)nc(Cl)c1 864244997 YSMOYPYOPRMHOB-UHFFFAOYSA-N 436.255 4.397 5 20 IIBD O=C(NCc1nc(-c2cc(Br)cs2)no1)c1c(Cl)cccc1[N+](=O)[O-] 904395115 RDFSJHHUNGITHN-UHFFFAOYSA-N 443.666 4.052 5 20 IIBD O=C(/C=C\c1ccc(-c2ccc(F)cc2)s1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 914739635 BGYOIUSCSGIXRH-YFHOEESVSA-N 438.484 4.219 5 20 IIBD Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)C2)cc1 914781168 ICCHKXAUBHCBKH-QGZVFWFLSA-N 429.904 4.067 5 20 IIBD O=C(Nc1nc(-c2ccco2)cs1)c1cc([N+](=O)[O-])ccc1I 915649788 GOOPSKDHOJLASC-UHFFFAOYSA-N 441.206 4.168 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2 916828504 BEKOMBOIOWBWSD-GHXNOFRVSA-N 445.431 4.270 5 20 IIBD CCCNC(=O)c1cccc(CNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c1 917080661 KEIYRRBOLWKIFE-UHFFFAOYSA-N 426.351 4.274 5 20 IIBD CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1OCC(=O)N1CCCC1 917743326 WSJDSHXZLJXMQJ-IBGZPJMESA-N 445.903 4.131 5 20 IIBD C[C@H](OC(=O)c1ccc(-n2cnc3ccccc32)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 921175940 FPFQLVYOIUJVRU-AWEZNQCLSA-N 448.410 4.257 5 20 IIBD COc1cc(OC)cc([C@H](O)CNCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c1 1116093814 CDOUFIXHBKHBGU-HXUWFJFHSA-N 432.860 4.349 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@@H](c2ccc(Cl)s2)C1 1116158966 DZVQMOVPHPQDSP-CQSZACIVSA-N 431.297 4.332 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)o2)C1 1117251070 FASJBDMCKAJBFQ-HNNXBMFYSA-N 443.504 4.360 5 20 IIBD COc1ccc2cc(C(=O)OC[C@@H]3CCCN3C(=O)c3ccccc3[N+](=O)[O-])ccc2c1 1263289637 LRPJNBOHYNYKST-IBGZPJMESA-N 434.448 4.218 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCOc1ccc(OCc2ccccc2)cc1 1318487359 IFZQHZQMZDBZTA-UHFFFAOYSA-N 435.480 4.367 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1-c1nnc(CCN2CCN(c3ccccc3)CC2)o1 1325760983 LLTOQOAXRXYKQP-UHFFFAOYSA-N 439.541 4.122 5 20 IIBD CC(C)c1ccc(C2(C(=O)N3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)CCC2)cc1 1329195167 VHSZARMOKKGNID-UHFFFAOYSA-N 435.524 4.125 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(CCc2nc(O)c3c(C)c(C)sc3n2)n1 1337927970 DORCRYQFDSEMDK-UHFFFAOYSA-N 425.470 4.374 5 20 IIBD Cn1ccnc1CCNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 1347515842 ZFXCDQOLUPKXOM-VKAVYKQESA-N 447.520 4.228 5 20 IIBD CC(F)(F)C(=O)Nc1ccc(C2(NC(=O)CSc3ccccc3[N+](=O)[O-])CCC2)cc1 1787935591 QTCMDPACMQFWGV-UHFFFAOYSA-N 449.479 4.476 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(F)cc4)cc3)CCC2)ncc1[N+](=O)[O-] 1790293550 XHYGHZTVIYWMIX-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD CCCCC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C2 1801716868 MAHNYABHXNSRBA-CABLCSAHSA-N 427.545 4.463 5 20 IIBD CCC1(C(=O)N2CCC3(CCCN(C(=O)CCc4cccc([N+](=O)[O-])c4)C3)CC2)CCC1 1806490631 XIPFHANOALQDJZ-UHFFFAOYSA-N 441.572 4.339 5 20 IIBD CC(C)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cc([N+](=O)[O-])ccc2F)[nH]n1 1821926303 CURFVGWXWHLSFI-IBGZPJMESA-N 445.495 4.128 5 20 IIBD Cc1cccc(Cl)c1C(=O)N1CC2(CCCN2C(=O)c2c(F)ccc([N+](=O)[O-])c2C)C1 1845493889 OYYYTWUIFOCIII-UHFFFAOYSA-N 445.878 4.135 5 20 IIBD Cc1cc(NC(=O)COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc1Br 10749623 BUHYJQAUYZBEMB-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)Cc1ccc(Cl)cc1Cl 11482135 ZQKRNEFQSXKTCG-SNVBAGLBSA-N 427.240 4.023 5 20 IIBD O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1OCc1ccccc1 13467810 PPYZJSMJQWKTBI-GJZGRUSLSA-N 430.844 4.433 5 20 IIBD Cc1cc(CSc2ccccc2C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)on1 16542389 LFUSPFQWIYQWNQ-UHFFFAOYSA-N 441.465 4.287 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1sc(-c2ccc(F)cc2)nc1C 18017866 ZNEZNNLKRWPDAV-UHFFFAOYSA-N 429.429 4.270 5 20 IIBD O=C(c1ccc2ncsc2c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 23558293 DDELPOPIUUBINH-UHFFFAOYSA-N 436.415 4.186 5 20 IIBD CCOc1cc(C(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])cc1OC 25803595 SVFORQGAEPCLKQ-UHFFFAOYSA-N 428.224 4.349 5 20 IIBD O=C(CCSc1nnc(Cc2cccs2)n1C1CC1)Nc1ccccc1[N+](=O)[O-] 26411001 FRTGRELCVHNAIW-UHFFFAOYSA-N 429.527 4.294 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 27800251 UREWXXHEPFYOPD-MNOVXSKESA-N 441.267 4.333 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(Oc3nc4sccn4c3[N+](=O)[O-])cc2)cc1 29847772 LZKFHKJMNWSUOB-UHFFFAOYSA-N 430.467 4.206 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 61205264 WDBPBUOASRTOBG-UHFFFAOYSA-N 428.832 4.112 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(Cc3coc(-c4ccc(Br)cc4)n3)CC2)cc1 72182285 ZYWVIJQLCYOEHB-UHFFFAOYSA-N 443.301 4.335 5 20 IIBD C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(Cc2csc(-c3ccc(Cl)cc3)n2)C1=O 97336406 MFBDQRGWHBUWQJ-HXUWFJFHSA-N 442.884 4.339 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 107924744 WYZHAXYCQMPQIO-CYBMUJFWSA-N 448.401 4.432 5 20 IIBD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)ccc21 109780675 QWHIKJIDJXULBQ-UHFFFAOYSA-N 428.876 4.324 5 20 IIBD CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 116161161 UOGYQOFLMFCWKN-PMACEKPBSA-N 437.496 4.468 5 20 IIBD CCN(CC(=O)Nc1c(Cl)cccc1Cl)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 217102626 SEVYFPUUNHNFJK-GFCCVEGCSA-N 439.299 4.189 5 20 IIBD COc1ccc(-c2nc(CN3CCN(c4ncc(Cl)cc4[N+](=O)[O-])CC3)cs2)cc1 301740849 KVDGETAIQNYRNQ-UHFFFAOYSA-N 445.932 4.098 5 20 IIBD CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 302953435 CLMLWWNRWUMNCR-ZDUSSCGKSA-N 447.797 4.171 5 20 IIBD CC(C)n1c([C@@H]2CCCN(CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)nc2ccccc21 303589209 RLSDZLOKPMBMKO-GOSISDBHSA-N 435.528 4.368 5 20 IIBD C[C@H](c1ccc2c(c1)OCO2)c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 426451603 SHBMZXJUXPHPGI-SNVBAGLBSA-N 432.230 4.212 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2C(=O)N(C)[C@@H]2CC[C@H](C)C2)c1 430466067 RSMSWJSATWMJRH-WMLDXEAASA-N 445.541 4.273 5 20 IIBD CC(C)(NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 431419544 FITQPVZSCLBQCB-UHFFFAOYSA-N 439.493 4.061 5 20 IIBD CCN([C@H](c1cccnc1)c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] 431891631 YETWDLFCSGGJFA-NRFANRHFSA-N 447.463 4.377 5 20 IIBD C[C@@H](NC(=O)C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 436913268 UVQAHIWKNAQUFI-ZHRRBRCNSA-N 433.464 4.039 5 20 IIBD O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437136974 LHEZKCNUVOMQQC-UHFFFAOYSA-N 436.390 4.040 5 20 IIBD Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 437348774 QVRQKFSMBZGWOU-MRXNPFEDSA-N 439.415 4.076 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc1[N+](=O)[O-] 439245196 IHHIJHJCPGSORY-NSHDSACASA-N 431.283 4.187 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N2CC[C@@H]([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] 441566564 DTGYNPIXSAFIMC-IAGOWNOFSA-N 440.521 4.046 5 20 IIBD COc1cc(Br)c(C(=O)COc2c(Cl)cccc2[N+](=O)[O-])cc1OC 442915421 XDMVNIMOVFNSJO-UHFFFAOYSA-N 430.638 4.290 5 20 IIBD O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 444080131 HJZGOWKENFVROR-OAQYLSRUSA-N 445.906 4.260 5 20 IIBD CC1CCN(c2ccc(-c3nc(CC(=O)Nc4ccccc4F)no3)cc2[N+](=O)[O-])CC1 445305702 XQKWZYXIKKRFSH-UHFFFAOYSA-N 439.447 4.201 5 20 IIBD CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(-c2nc(-c3ccc([N+](=O)[O-])s3)no2)c1 445470541 KCZXLWAMLJHZNO-UHFFFAOYSA-N 442.906 4.104 5 20 IIBD CN(C(=O)Cc1noc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1)C1CCCCC1 445549907 ADNGSISRWUVNAP-UHFFFAOYSA-N 427.486 4.102 5 20 IIBD Cc1ccc(N[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1NC(=O)CN1CCCCC1 447603136 WVIISZTVLZUOSB-CTNGQTDRSA-N 440.548 4.120 5 20 IIBD CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] 447675948 ARGKDYZEAJAVCI-GUYCJALGSA-N 445.392 4.168 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@@H]3c3cccs3)n2C[C@H]2CCOC2)c1 461585633 ZTKGPMYDWLCLGV-CRAIPNDOSA-N 425.514 4.293 5 20 IIBD O=C(Nc1ccccc1)NC1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 463148710 XQENHGOAKALBDB-UHFFFAOYSA-N 436.390 4.040 5 20 IIBD CC[C@H](C)N(C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccc(C(N)=O)cc1 463600694 DZFDBJWPWPZUFX-LBPRGKRZSA-N 439.390 4.080 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 463954519 ZMPSFZFUOQCAST-UHFFFAOYSA-N 442.785 4.248 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@H](n2cccn2)Cc2ccccc21 464400147 OTKXEYYFKRHYAC-QGZVFWFLSA-N 426.860 4.044 5 20 IIBD O=C(c1cc2c(OC(F)F)cccc2[nH]1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464657641 AKCCGNCMBAUZRB-UHFFFAOYSA-N 431.395 4.361 5 20 IIBD COc1ccccc1COC1CCN(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 467213227 CGRGACCGHSEMRX-UHFFFAOYSA-N 433.892 4.148 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC(OCc2cccc3ccccc23)C1 467466775 FRYFTSCLXPUPQN-UHFFFAOYSA-N 431.492 4.389 5 20 IIBD CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H](C(N)=O)c1cccc(Br)c1 468482727 FWLIWODMCBRDJF-IBGZPJMESA-N 444.285 4.276 5 20 IIBD COc1ccc(CSCC(=O)Nc2c(C)cnn2Cc2ccccc2F)cc1[N+](=O)[O-] 470200833 OEAIQAGQWOXBKE-UHFFFAOYSA-N 444.488 4.168 5 20 IIBD Cc1c(C(=O)N(C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)nnn1-c1cccc([N+](=O)[O-])c1 474726406 GZWSGVQKOWZGFR-KBPBESRZSA-N 427.892 4.402 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 474970377 NTCMRDSLYNGCOY-FQEVSTJZSA-N 440.297 4.395 5 20 IIBD Cc1nc(C2(NC(=O)c3ccc(N4C[C@H](C)C[C@@H](C)C4)c([N+](=O)[O-])c3)CCCCC2)no1 477674446 HEALLKCXPBLZRO-HZPDHXFCSA-N 441.532 4.358 5 20 IIBD Cc1cc2occ(C(=O)N3CCCN(c4nc5ccc([N+](=O)[O-])cc5[nH]4)CC3)c2cc1C 478086098 OBEFDCWWZHKTIT-UHFFFAOYSA-N 433.468 4.187 5 20 IIBD Cc1ccnc([C@@H](NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C2CC2)n1 478486694 LMBXMCDNTOFRRN-VFNWGFHPSA-N 432.484 4.142 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCCc2nn(C)c3ccccc23)cc1 478812283 KFFBRVSAEQVACX-UHFFFAOYSA-N 446.463 4.255 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1CNc1ccc(CC(=O)N2CCSCC2)cc1 480322640 AIRMRYQQKQMSOE-UHFFFAOYSA-N 429.542 4.112 5 20 IIBD CC(C)c1ccc([C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])N2CCc3sccc3C2)cc1 480646908 LESOFOLIYFGWEI-GOSISDBHSA-N 439.541 4.032 5 20 IIBD CCc1ccc([C@H]2CN(C(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)CCO2)cc1 482032217 ZWMOIFXQEJFPGG-HSZRJFAPSA-N 448.523 4.233 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2CN2CCSCC2)cc1SC 483491571 BHPNFJUUKQYWDJ-UHFFFAOYSA-N 433.555 4.126 5 20 IIBD O=C(Nc1ccc(OCc2cccc(F)c2)c(F)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 483847468 AXAWIEUUQSOKRC-UHFFFAOYSA-N 442.374 4.476 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] 484177582 URYRFUGRXBYKAX-UHFFFAOYSA-N 429.904 4.144 5 20 IIBD CSc1cccc(C(=O)N[C@H]2CCN(c3ccccc3C(F)(F)F)C2)c1[N+](=O)[O-] 485501915 GNRLWRBHLFCIOU-LBPRGKRZSA-N 425.432 4.344 5 20 IIBD O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1sc(Br)cc1[N+](=O)[O-] 486137948 OGVJWBPCEAMOTA-AAEUAGOBSA-N 429.267 4.208 5 20 IIBD Cc1cc(C(=O)N(CC(=O)Nc2ccc(Cl)cc2)Cc2cccnc2)ccc1[N+](=O)[O-] 486144256 FRRKMFNKQAXKAY-UHFFFAOYSA-N 438.871 4.233 5 20 IIBD CSc1cccc(C(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c1[N+](=O)[O-] 486207357 SZHKBKSMBCMDBF-CQSZACIVSA-N 436.493 4.455 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1(c2cccc(F)c2)CCOCC1 486713334 RPQPBCLOJLARHX-UHFFFAOYSA-N 426.366 4.117 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 488076603 QQLFWCKEZYVKON-SFHVURJKSA-N 442.274 4.366 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 490006481 AUKMXBQXEYJPDS-MJGOQNOKSA-N 443.569 4.116 5 20 IIBD Cc1ccc(C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)cc1NC(=O)c1ccccc1 490395904 GQEASVZJIILIHA-UHFFFAOYSA-N 442.435 4.193 5 20 IIBD Cc1cc(CNC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1-c1ccccc1 490458625 RFVZPOXEBRHWQM-UHFFFAOYSA-N 437.883 4.270 5 20 IIBD CCN1CCc2nc(NC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])sc2C1 492821091 XUZIHEOPTGFRGJ-UHFFFAOYSA-N 438.509 4.261 5 20 IIBD CCOC(=O)[C@@H]1CCCc2sc(NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)nc21 493533594 CGRCCPKCHMEILG-BXUZGUMPSA-N 435.527 4.154 5 20 IIBD CCOC(=O)c1c(C(C)C)csc1NC(=O)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 493905602 ILZRFNRZQKVKIO-CYBMUJFWSA-N 447.513 4.081 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CCCOc1ccc2c(c1)NC(=O)CC2 495110746 JDBCYGMKLJXRTF-UHFFFAOYSA-N 425.485 4.076 5 20 IIBD O=C(Cc1cccc(OCC(F)(F)F)c1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 498151607 BZLKENGQPTZMJV-SFHVURJKSA-N 426.416 4.353 5 20 IIBD O=C(c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 499275691 PQMBVBIVUJADOP-UHFFFAOYSA-N 443.385 4.275 5 20 IIBD Nc1cccc([N+](=O)[O-])c1C(=O)NCCOc1c(Cl)cc(Br)cc1Cl 500054799 NFAVGEOFEXSZME-UHFFFAOYSA-N 449.088 4.055 5 20 IIBD COC(=O)[C@H](C)NC(=O)c1ccc(N[C@@H](C)c2cc3ccccc3s2)c([N+](=O)[O-])c1 501276118 UZFBVIZPBPCJET-STQMWFEESA-N 427.482 4.274 5 20 IIBD COc1cccc(-n2nc(C)c([C@@H]3COCCN3CCc3ccc([N+](=O)[O-])cc3)c2C)c1 502308737 MKMHIKRYZQOFTM-QHCPKHFHSA-N 436.512 4.022 5 20 IIBD CCSc1ccc([C@@H](C)NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1 504713154 UPVXFHXSUXTCMF-CQSZACIVSA-N 429.498 4.272 5 20 IIBD Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCCN([C@@H](C)c2ccccc2F)C1=O 505403473 PLEKODRXXYWWLR-SUMWQHHRSA-N 433.867 4.178 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)NCc2ccc(COC3CCOCC3)cc2)cc1[N+](=O)[O-] 506039380 XNMLOYQVLBTGKG-QGZVFWFLSA-N 427.501 4.159 5 20 IIBD O=C(CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)Nc1cccnc1 506184174 PWFRCDIXOBPMKA-UHFFFAOYSA-N 442.884 4.163 5 20 IIBD Cc1cc(C)c(NC(=O)CCC[S@@](=O)CCC(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1 507701348 ZTIKNVLFFLMIGC-WJOKGBTCSA-N 445.541 4.016 5 20 IIBD Cc1c(CC(=O)Nc2c(-c3ccc(Br)cc3)ncn2C)cccc1[N+](=O)[O-] 508401501 INNMTMTXPMTCHS-UHFFFAOYSA-N 429.274 4.247 5 20 IIBD CC(C)N(Cc1cccs1)C(=O)c1ccc([N+](=O)[O-])cc1I 509012875 FYCXKUVVIZJPDN-UHFFFAOYSA-N 430.267 4.312 5 20 IIBD COc1cc(C(=O)N[C@@H](C)c2ccc(C)cc2)c([N+](=O)[O-])cc1OCc1cscn1 509932212 SSEBVPJABJKUKT-AWEZNQCLSA-N 427.482 4.438 5 20 IIBD COc1ccc(-c2nc(CC(=O)N3CCCc4ccc([N+](=O)[O-])cc43)cs2)cc1OC 509980794 CAIJPZJLNWOUPY-UHFFFAOYSA-N 439.493 4.257 5 20 IIBD Cc1cccc(C(NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c2cccc(C)c2)c1 513836902 QFANUBPWZUHLAD-UHFFFAOYSA-N 438.505 4.135 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 515934381 OIYBJEBARQVESW-AWEZNQCLSA-N 435.496 4.134 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3nc(-c4cccc(CN5CCOCC5)c4)no3)cs2)cc1 521046811 QZAWKFCSDKBAAA-UHFFFAOYSA-N 449.492 4.268 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2c(C)cnn2[C@@H]2CCCc3ccccc32)c1C 521659341 YQPAUZRRBVRZCJ-HXUWFJFHSA-N 440.525 4.443 5 20 IIBD O=C(Nc1ccnc(Oc2ccccc2Cl)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 522815586 NKVCFNIQUJENCX-UHFFFAOYSA-N 427.800 4.459 5 20 IIBD O=[N+]([O-])c1cccc(-n2nc(-c3ccco3)cc2NS(=O)(=O)Cc2ccccc2F)c1 525372804 TXAJWUSKXPFIJM-UHFFFAOYSA-N 442.428 4.122 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 525599963 WNOVMIZPKOIOIK-XMMPIXPASA-N 445.500 4.337 5 20 IIBD CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)CCNc2ccccc2[N+](=O)[O-])cc1 532414563 DLVXKOWRASYOQT-INIZCTEOSA-N 427.505 4.148 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C(F)(F)F 532482212 WHFZADJPOMWGNP-FQEVSTJZSA-N 432.402 4.360 5 20 IIBD CN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 533238502 NJKTZPOZRNGITJ-UHFFFAOYSA-N 436.255 4.022 5 20 IIBD COCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 535331170 BEYZMQYDRVXPKP-UHFFFAOYSA-N 437.374 4.301 5 20 IIBD O=C(N[C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 537207785 ILSRXOKYQHIWBI-NRFANRHFSA-N 431.448 4.309 5 20 IIBD CC[C@@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])Oc1cccc(C(F)(F)F)c1 537639697 GEJOZUNDGPZDBH-NSHDSACASA-N 438.449 4.348 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 537673410 IXTMWASTPVVSQD-INIZCTEOSA-N 440.418 4.051 5 20 IIBD COc1ccc(OC2CCN(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 539810101 DAEBZZPPKROTML-UHFFFAOYSA-N 433.892 4.052 5 20 IIBD CC(C)N1C(=O)C[C@H](C(=O)NCc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 540644526 MDCCMKMGQCCVGA-YWZLYKJASA-N 433.867 4.002 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N[C@@H](CCO)c2ccccc2Br)cc1[N+](=O)[O-] 541038076 PRONFHKCOOUXDM-GUYCJALGSA-N 436.306 4.150 5 20 IIBD Cc1ccc(C2=NN(C(=O)COc3nc(C)cc(C)c3[N+](=O)[O-])[C@H](c3ccco3)C2)cc1 541055994 VZZGLULSIMVERX-IBGZPJMESA-N 434.452 4.265 5 20 IIBD COc1ccc(NC(=O)CN[C@H](Cc2ccc(Cl)cc2)c2ccccn2)c([N+](=O)[O-])c1 541193682 JCZMXHYPBMIGFS-HXUWFJFHSA-N 440.887 4.164 5 20 IIBD Cc1c([N+](=O)[O-])cnc(Oc2cccc(Oc3ccnc(C(N)=O)c3)c2)c1Br 541578129 JKYMKDYPURCJRF-UHFFFAOYSA-N 445.229 4.139 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)c1 542717621 MLGPFEGEUPMRRE-UHFFFAOYSA-N 428.514 4.381 5 20 IIBD CC(=O)Nc1ccc(C(=O)N(CC(C)C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)nc1 542927842 PWUVUCAWVAGDHW-UHFFFAOYSA-N 439.497 4.375 5 20 IIBD Cn1cnnc1Sc1ccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1 543268279 NBLCXGQRFKFJSI-UHFFFAOYSA-N 435.918 4.259 5 20 IIBD O=C(NCC1CC1)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 543550852 KKDBEZWMTQDOAN-SFHVURJKSA-N 445.585 4.256 5 20 IIBD O=C(Nc1cccc(-c2noc(-c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)n2)c1)C1CCC1 544944208 GYNMUYCLVXTWRR-UHFFFAOYSA-N 430.424 4.236 5 20 IIBD O=c1c2ccccc2n(Cc2nc(-c3cccnc3OCC(F)F)no2)c2ccccc12 545133940 FYWIEVBSGMDBJC-UHFFFAOYSA-N 434.402 4.292 5 20 IIBD COc1cc(Cc2noc(-c3ccc([N+](=O)[O-])[nH]3)n2)cc(Cl)c1OCC(F)(F)F 546380837 NJUYKKUDPFOUNH-UHFFFAOYSA-N 432.742 4.167 5 20 IIBD O=[N+]([O-])c1ccc(NCCCc2nc(Cc3nc4ccccc4n3C(F)F)no2)cc1 547029293 FTXNNTLWTFLZJI-UHFFFAOYSA-N 428.399 4.358 5 20 IIBD C[C@@](NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)(C(N)=O)c1cccc(C(F)(F)F)c1 549526935 FEDFYTMYCKWZBX-INIZCTEOSA-N 435.324 4.123 5 20 IIBD O=C(Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c1)c1cccnc1 549746161 SOVAORAMFSMEBJ-UHFFFAOYSA-N 444.369 4.191 5 20 IIBD CC(C)c1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1Cc1cccs1 549959392 NXQLIDQTZWLWTD-UHFFFAOYSA-N 427.530 4.467 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)cc1 551778350 DBCGRGOVTFINMU-RBUKOAKNSA-N 442.459 4.313 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ncc(Cc3cccc(C(=O)OC)c3)s2)c1 558806845 BDFRYTCXHSFQMR-UHFFFAOYSA-N 441.465 4.080 5 20 IIBD COc1cc(CN2CC[C@@H](N3CCCC3)[C@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 564312253 AUWIVACGELAKCI-XMSQKQJNSA-N 425.529 4.241 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2NC(=O)Cc2cccs2)c1 570945325 DILJDCHHJPVDFK-UHFFFAOYSA-N 425.466 4.489 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ccc2nc(C(F)F)sc2c1 573229593 JTSMYHHLMXICDF-UHFFFAOYSA-N 440.815 4.164 5 20 IIBD COc1cccc(OC(F)(F)F)c1CN[C@@H](c1cccc([N+](=O)[O-])c1)c1nccn1C 584282598 AKHLEQRMVZSKMM-SFHVURJKSA-N 436.390 4.115 5 20 IIBD COc1ccc(NC(=O)CSc2nnc(C[C@H](C)c3ccccc3)o2)c([N+](=O)[O-])c1 594638951 NFSFXHAFLMPMAJ-ZDUSSCGKSA-N 428.470 4.063 5 20 IIBD CCCCc1ccc([C@@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C(C)C)cc1 603705682 BOXUDSJRQVMMEQ-NRFANRHFSA-N 427.501 4.398 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(-c2ccccc2)nc1O 603780990 GJZZXRIJBBMGFQ-UHFFFAOYSA-N 446.385 4.223 5 20 IIBD Cc1occc1C(=O)Nc1cc(NC(=O)CCOc2ccccc2[N+](=O)[O-])ccc1F 603961001 CGIGCWHIMSTXMB-UHFFFAOYSA-N 427.388 4.295 5 20 IIBD COc1cc(C(=O)N(C)CCCOc2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC(F)F 604007292 FJMMKXYFFJVHOP-UHFFFAOYSA-N 444.818 4.399 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@@H](C)C(=O)N3CCCC[C@@H]3C)cc2[N+](=O)[O-])n1 608838705 AUKXBUMPPBCTED-KBPBESRZSA-N 448.570 4.030 5 20 IIBD COc1ccc(C(=O)N2c3ccccc3CC[C@@H]2C(=O)Nc2ccc(F)cc2)cc1[N+](=O)[O-] 608871409 CBTFBZNHVPXFAM-HXUWFJFHSA-N 449.438 4.343 5 20 IIBD C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 608895968 GFMYACPSYVNBCW-SNVBAGLBSA-N 427.240 4.469 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCO[C@@H](c4cccc(F)c4)C3)cc2[N+](=O)[O-])C1 608965387 XHYDLSYDOUDVII-SEPYTNNBSA-N 441.503 4.430 5 20 IIBD CCCCC(=O)N1CSC[C@H]1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 609058262 IPLGTWKJSZJMBM-HNNXBMFYSA-N 434.543 4.057 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N(CCN(C)C)C[C@H]3CCCO3)cc2[N+](=O)[O-])cc1 609187968 VCVSPOYREDCKGQ-LJQANCHMSA-N 443.569 4.237 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2nc(O)c3ccccc3n2)cc1[N+](=O)[O-])c1ccccn1 609439677 WGIKLTATXVEMPX-ZDUSSCGKSA-N 430.424 4.064 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCCOc1cccc2cccnc12 609459658 ANIDYGWSLISLRK-AWEZNQCLSA-N 429.860 4.149 5 20 IIBD O=C(NCc1nncn1-c1ccccc1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609773334 XFBCLDHQRNJDKC-UHFFFAOYSA-N 430.424 4.290 5 20 IIBD COc1cc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 610208542 DAYLSASUKLACAX-CZUORRHYSA-N 433.892 4.262 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccc(OC)nc1 611466220 RCBFJDQBNFOUAL-UHFFFAOYSA-N 427.438 4.156 5 20 IIBD CC(C)(C(=O)O)[C@@H]1CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 611478479 DVZAZPJNQJLXAI-GOSISDBHSA-N 425.485 4.170 5 20 IIBD C[C@H](OC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C(=O)Nc1ccc(N2CCCCC2)cc1 725935020 CTVSUUXPQNIZEI-ZDUSSCGKSA-N 433.411 4.047 5 20 IIBD O=C(Nc1ccc(CC(=O)N2CCc3ccccc32)cc1)c1cc(F)c(F)cc1[N+](=O)[O-] 727708947 FDLSIUCOWFEYMK-UHFFFAOYSA-N 437.402 4.257 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1cn(C(C)(C)C)nc1-c1ccccc1Cl 731137344 FSKBVRMIBZVFRQ-UHFFFAOYSA-N 431.880 4.229 5 20 IIBD O=C(NC[C@]1(O)CCCc2ccccc21)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 731367406 AHXMPDDVLVIFST-RUZDIDTESA-N 431.492 4.161 5 20 IIBD CC1=C(C(=O)N(C)C)[C@@H](c2cc([N+](=O)[O-])c(F)cc2F)NC(=O)N1c1ccc(C)cc1C 731431779 OAWIQEFTXWYPFG-HXUWFJFHSA-N 444.438 4.123 5 20 IIBD O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 731830977 GRPMFHQSTDWUPS-NRFANRHFSA-N 429.904 4.408 5 20 IIBD O=C(O[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1c(Cl)cccc1[N+](=O)[O-] 733828389 VAWHJWPFNLWSRB-CQSZACIVSA-N 444.749 4.109 5 20 IIBD Cc1ccccc1NC(=O)COC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 736863022 HZDFFCLEQHBOQZ-UHFFFAOYSA-N 449.250 4.191 5 20 IIBD O=C(Nc1ccc(COCc2ccccc2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 741612616 ZNKPFFRHPRXQKF-UHFFFAOYSA-N 447.491 4.401 5 20 IIBD COc1ccc2cc(CN(C)C(=O)[C@@H](C)OC(=O)c3cc([N+](=O)[O-])ccc3C)ccc2c1 742995660 RPQNTXITZHXSIB-MRXNPFEDSA-N 436.464 4.269 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3cc(Cl)c(Cl)n3C)CC2)ccc1[N+](=O)[O-] 744203283 GSYBCKWIRNOSSH-UHFFFAOYSA-N 442.299 4.465 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 744421085 DRRPKRWARXEFHV-CYBMUJFWSA-N 448.863 4.027 5 20 IIBD C[C@H](OC(=O)[C@@H](C)c1ccc(Br)s1)C(=O)Nc1cccc([N+](=O)[O-])c1 745642167 ZWHNCUULQCVJLB-UWVGGRQHSA-N 427.276 4.093 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1N1CCOC1=O 746350173 WJAAKTLHXXNAQJ-UHFFFAOYSA-N 438.484 4.348 5 20 IIBD O=C(OCCn1cc([N+](=O)[O-])cn1)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1 748124588 FNNZMSHCNRFIEE-UHFFFAOYSA-N 434.235 4.186 5 20 IIBD Cc1c(C(=O)N(C)Cc2csc(Br)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748635745 VFVSZOYMDHQSBU-UHFFFAOYSA-N 428.264 4.216 5 20 IIBD O=C(OCc1ccn(-c2cccc(F)c2)n1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 748871284 JAQYIKGIVLKLKC-UHFFFAOYSA-N 439.321 4.218 5 20 IIBD C[C@@H](OC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 748907553 QSTPWNMMRJWBIO-CYBMUJFWSA-N 432.392 4.122 5 20 IIBD O=C(OCCn1cnc([N+](=O)[O-])n1)c1oc2ccccc2c1CSc1ccccc1F 749077313 FKDAEIPQZFZSNY-UHFFFAOYSA-N 442.428 4.221 5 20 IIBD CCNC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 750836481 FQCUOLZTRJHBRK-UHFFFAOYSA-N 426.654 4.013 5 20 IIBD COc1ccc(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC1CCCC1 751977752 YYCGFUYFPQJORB-UHFFFAOYSA-N 439.424 4.332 5 20 IIBD Cc1cc(F)cc(C(=O)OCC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)c1[N+](=O)[O-] 752557081 FNVUVCYWLLAZIU-LJQANCHMSA-N 446.431 4.306 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2cccc(COCCOC(C)C)c2)cc1[N+](=O)[O-] 753071994 MTRZYVDWUFGFAN-UHFFFAOYSA-N 442.921 4.299 5 20 IIBD COc1ccc(CC[C@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1 754634188 AIUFULRVDIQBDS-NSHDSACASA-N 425.254 4.256 5 20 IIBD C[C@@H]1CN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C[C@H](c2ccsc2)O1 755026617 UKGAOURZPUBCJU-MEBBXXQBSA-N 426.292 4.413 5 20 IIBD C[C@H](C(=O)O[C@H](C)C(=O)Nc1ccccc1Br)c1ccc([N+](=O)[O-])cc1F 755063660 NECZRQRUIWKCCL-WDEREUQCSA-N 439.237 4.170 5 20 IIBD COc1ccc([C@H](O)CNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)cc1 755493436 BINCPXUNKBXJNX-HXUWFJFHSA-N 430.526 4.349 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)cccc1[N+](=O)[O-] 758679222 PGJGZWRZSAAOMS-MRXNPFEDSA-N 447.447 4.340 5 20 IIBD COCc1ccccc1-c1noc(-c2cc([N+](=O)[O-])ccc2I)n1 761695112 PJVOJQBNOOPGKG-UHFFFAOYSA-N 437.193 4.063 5 20 IIBD O=[N+]([O-])c1ccc2cnn(Cc3nc(-c4ccc(OCc5ccccc5)nc4)no3)c2c1 761814686 XGOHPEIRWJFNNX-UHFFFAOYSA-N 428.408 4.017 5 20 IIBD CCOc1ccc(-c2nc(CC(=O)Oc3ccc(C(=O)OC)c([N+](=O)[O-])c3)cs2)cc1 763700415 KOLHEUUPOPOYLY-UHFFFAOYSA-N 442.449 4.052 5 20 IIBD C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 764301698 BVIRZFNBDAVHCH-SSDOTTSWSA-N 437.752 4.403 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cn1nc(COc2ccccc2)n(C)c1=S 764915217 VMHXXAUKPQBWJM-UHFFFAOYSA-N 427.530 4.306 5 20 IIBD C[C@@H](OC(=O)c1c[nH]nc1-c1c(F)cccc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 768143946 RHJDSOHTHXKHDR-SNVBAGLBSA-N 441.350 4.231 5 20 IIBD Cc1cc(S(=O)(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc([N+](=O)[O-])c1F 768268593 LEPQNORFBIKDNS-UHFFFAOYSA-N 435.458 4.157 5 20 IIBD COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)Cc1c(Br)cccc1[N+](=O)[O-] 769526829 MTSJLSNHZIYLAU-INIZCTEOSA-N 447.207 4.121 5 20 IIBD O=[N+]([O-])c1cccc(Br)c1OS(=O)(=O)Cc1ccccc1C(F)(F)F 769927769 VLGSKFVFBDQMFX-UHFFFAOYSA-N 440.193 4.285 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 769998042 OTGMFCZFIMHWRW-UHFFFAOYSA-N 441.669 4.079 5 20 IIBD CCCN1CCC(Nc2ccc([N+](=O)[O-])c(NC3CCN(CCC)CC3)c2[N+](=O)[O-])CC1 771146522 LJWJABFSDWHQST-UHFFFAOYSA-N 448.568 4.076 5 20 IIBD Cc1cc(S(=O)(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)cc([N+](=O)[O-])c1F 771772961 CECQLOPWSBPAQU-IBGZPJMESA-N 435.864 4.159 5 20 IIBD COc1ccc(CSCC(=O)Oc2ccc([C@@](C)(O)C(F)(F)F)cc2)cc1[N+](=O)[O-] 772994553 BBXFOHKIIRFCJM-GOSISDBHSA-N 445.415 4.212 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 776195610 AYBNCTPGYZFENI-UHFFFAOYSA-N 425.353 4.262 5 20 IIBD CC(C)c1ccc(-c2ncc(CS(=O)(=O)C[C@@H](O)c3ccc([N+](=O)[O-])cc3)s2)cc1 776263265 QBIIODWTSSMSFV-HXUWFJFHSA-N 446.550 4.490 5 20 IIBD COc1cccc([C@H]2[C@H](C(=O)OCc3ccc(Cl)cc3[N+](=O)[O-])CC(=O)N2C2CC2)c1 776456008 NVNUGRQBRRPWLC-NQIIRXRSSA-N 444.871 4.052 5 20 IIBD CSc1cccc(C(=O)OCC(=O)Nc2ccccc2SC(F)F)c1[N+](=O)[O-] 777074333 JTQIRMDGMJDJTK-UHFFFAOYSA-N 428.438 4.427 5 20 IIBD O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 777991234 DHWDRGSDPPZIKA-HXUWFJFHSA-N 439.418 4.053 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1c1nc2ccccc2n1C(C)C 778012533 GMYOAESHILIPKG-GOSISDBHSA-N 446.504 4.499 5 20 IIBD CC(C)(C)OC(=O)NC[C@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 778148054 VSPQTUIOWDVBMB-SFHVURJKSA-N 447.919 4.215 5 20 IIBD Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 778149594 QUQZKRSKVVLSJW-LLVKDONJSA-N 447.419 4.489 5 20 IIBD O=C(NCc1ccc(Cn2cnc3ccccc32)cc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 778254947 ZKBSEMPXAVIZJT-UHFFFAOYSA-N 436.418 4.401 5 20 IIBD COc1cc(CN(C)Cc2ncc(Cl)n2C)c([N+](=O)[O-])cc1OCc1ccccc1 779162127 UQFPQXDANXIPNA-UHFFFAOYSA-N 430.892 4.201 5 20 IIBD Cc1ccc(C(F)(F)C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)cc1 779738574 JUWXDPBLCOZRDD-UHFFFAOYSA-N 430.411 4.482 5 20 IIBD COc1cc(COC(=O)Cc2c[nH]c3cc(F)ccc23)c([N+](=O)[O-])cc1OCC(F)F 780063625 PTJAJGSJVSIJHJ-UHFFFAOYSA-N 438.358 4.154 5 20 IIBD O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781582952 YSGWSQKMPZVBCJ-ICSRJNTNSA-N 425.441 4.194 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CCc2ccc(Br)cc21 782168594 ASPZCIIQOSQQLE-UHFFFAOYSA-N 426.064 4.323 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc2c1N(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC2 782543321 JPZAJLRYSZDOBA-UHFFFAOYSA-N 444.463 4.472 5 20 IIBD O=C(Nc1cccc(-n2ccnc2O)c1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 782726999 SBHAGRLMFMXXOA-UHFFFAOYSA-N 430.420 4.317 5 20 IIBD COc1ccc(NCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c(OCc2ccccc2)c1 783961572 LBANDAIZKKPBAF-UHFFFAOYSA-N 437.452 4.242 5 20 IIBD COc1ccc([C@H](NC(=O)COC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C2CC2)cc1 784256638 KZSYYVJLHMTCAI-JOCHJYFZSA-N 426.469 4.151 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N(CCc1ccc(Cl)cc1)CC1CC1 784896804 QMPLLUKJQPWPFT-UHFFFAOYSA-N 436.295 4.321 5 20 IIBD Cc1cc(C(=O)COC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c(C)n1-c1nccs1 785946957 HDRQLGALNVBQIF-UHFFFAOYSA-N 433.873 4.081 5 20 IIBD CC(C)c1ccccc1NC(=O)[C@@H](C)OC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 786785694 DFJNYIZGVOBKMY-OAHLLOKOSA-N 437.452 4.216 5 20 IIBD COc1cccc(-c2nc(COC(=O)COc3ccc([N+](=O)[O-])c(C)c3)cs2)c1OC 797494639 ZGICHMOCLGYYOI-UHFFFAOYSA-N 444.465 4.166 5 20 IIBD O=C(NCc1c(F)cc(F)c(F)c1F)c1cc(Br)cc([N+](=O)[O-])c1Cl 797760597 QXMFBMIRVKMFFA-UHFFFAOYSA-N 441.562 4.497 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 800615025 KMIYJVUKWQFWLL-FQEVSTJZSA-N 425.391 4.026 5 20 IIBD CC(C)(C)OC(=O)NCc1ccc(OC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1 802954379 ANNDXJLICDDZPL-UHFFFAOYSA-N 438.440 4.024 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 804178472 KURBFCKNCZBJGF-QHCPKHFHSA-N 447.491 4.263 5 20 IIBD C[C@@H]1Oc2ccc(C(=O)C3CCN(c4cc(Cl)ccc4[N+](=O)[O-])CC3)cc2NC1=O 804425635 SSOKDHOQPYDUJH-LBPRGKRZSA-N 429.860 4.067 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)sc2C1 808164521 HKGNIRUYUKGBRT-MUAYPFOZSA-N 444.513 4.085 5 20 IIBD O=C1CC[C@@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)c3cccc1c32 809832263 MRDWWQWFBDUPGX-SECBINFHSA-N 427.265 4.171 5 20 IIBD C[C@@H](NC(=O)CCc1ccccc1)C(=O)OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811085342 JKCMVEBQYFAWGO-GFCCVEGCSA-N 425.268 4.082 5 20 IIBD O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cc(O)nc2ccc(F)cc12 813304769 JLYXACLFQFOIGB-UHFFFAOYSA-N 425.397 4.468 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC12CCC2 813798411 CCEBSWONGGWGLJ-INIZCTEOSA-N 446.548 4.451 5 20 IIBD CN(C)c1cc(F)c(C(=O)OCc2nc3cc(C(F)(F)F)ccc3o2)cc1[N+](=O)[O-] 814482348 UYIAMXKJMUVHAS-UHFFFAOYSA-N 427.310 4.317 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC12CCC2 816857427 HLTNMVZRSMVQDQ-CQSZACIVSA-N 428.489 4.128 5 20 IIBD CS(=O)(=O)c1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1Cl 871590142 GKHUZGUGBHEVNA-UHFFFAOYSA-N 437.886 4.028 5 20 IIBD COc1ccc(CSCC(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] 914916127 LQJYBPNWPSPIEQ-GFCCVEGCSA-N 438.889 4.060 5 20 IIBD COC(=O)Nc1ccc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 916474864 UHNWANKOVFNJCN-UHFFFAOYSA-N 426.351 4.233 5 20 IIBD COc1cccc(OC)c1Oc1ccc(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cn1 917722301 HYYFERNWJKKWPY-WQLSENKSSA-N 435.436 4.129 5 20 IIBD Cc1ccc(-c2nn(-c3ccccc3)cc2COC(=O)Cn2ccc([N+](=O)[O-])n2)cc1C 917946278 CUOCFILURNPOJN-UHFFFAOYSA-N 431.452 4.004 5 20 IIBD Cc1cc(-c2noc([C@H](C)OC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)n2)ccc1F 919126984 IWINCGKMUFKFNT-ZDUSSCGKSA-N 437.387 4.196 5 20 IIBD O=C1CCc2cc(S(=O)(=O)Oc3ccc(-c4ccccc4)cc3[N+](=O)[O-])c(F)cc2N1 920317174 LISHCOKGACRROF-UHFFFAOYSA-N 442.424 4.053 5 20 IIBD CC(C)(C)c1ccc(N)c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 920629938 GROPAKKVSOWIPR-UHFFFAOYSA-N 439.390 4.289 5 20 IIBD COc1ccc(N(C)C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1 920925447 GUJMVLHUTKDEBG-UHFFFAOYSA-N 440.843 4.181 5 20 IIBD C[C@@H](OC(=O)c1csc(Cc2ccc(Cl)cc2)n1)C(=O)Nc1cccc([N+](=O)[O-])c1 1115845924 CDQNRAAHXRZFAE-GFCCVEGCSA-N 445.884 4.480 5 20 IIBD O=C(NCc1cc(OCC(F)F)ccn1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 1116495389 UZZAFLWCFYXELB-UHFFFAOYSA-N 442.422 4.176 5 20 IIBD Cc1c(C(=O)COC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cnn1-c1ccccc1 1117129016 AZAUKTXDBNOBAL-UHFFFAOYSA-N 433.342 4.147 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N[C@@H]1CCCc2c1cnn2Cc1ccccc1 1321429444 JOZMNTWLXZFASE-JOCHJYFZSA-N 447.539 4.161 5 20 IIBD COc1cccc([C@@H]2CCCN2S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)c1 1322366803 ZILLXPXKSYSXQX-HNNXBMFYSA-N 431.297 4.436 5 20 IIBD O=C(COC(=O)c1cnn(C2CCCCC2)c1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1322734687 KSSVYBAZBVRWOD-UHFFFAOYSA-N 440.378 4.111 5 20 IIBD Cc1c(Br)cc(-c2nnc(COc3ccccc3[N+](=O)[O-])o2)cc1[N+](=O)[O-] 1326928801 SKBSFSUFOMRYPF-UHFFFAOYSA-N 435.190 4.203 5 20 IIBD C[C@](CO)(NCc1ccc([N+](=O)[O-])cc1Br)c1cccc(C(F)(F)F)c1 1347099086 SARZJDRMDXUAEH-MRXNPFEDSA-N 433.224 4.373 5 20 IIBD Cc1ccncc1C(=O)Nc1ccc(C2(NC(=O)c3cccc(F)c3[N+](=O)[O-])CCC2)cc1 1788822761 JMGDLFNTWGTGPP-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)CCC1)c1ccccc1C1CC1 1789693999 RQQZGYIYSCFUFC-UHFFFAOYSA-N 445.479 4.257 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)C34CC(C3)C4)CCC2)cc1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 1790828151 WBZLMHJSRWZAKX-UHFFFAOYSA-N 445.479 4.019 5 20 IIBD Cc1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCC(C)C)[nH]n2)cc1[N+](=O)[O-] 1820918563 HWRGXOXDYLKBLH-IBGZPJMESA-N 441.532 4.297 5 20 IIBD Cc1scc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)c1C 1826181768 ZFDPOACACNEOQC-GOSISDBHSA-N 445.541 4.413 5 20 IIBD CCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cc(F)ccc2[N+](=O)[O-])CC1 1831392270 DWFDKLBOJLMDSB-HXUWFJFHSA-N 447.551 4.332 5 20 IIBD CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CSc2ccccc2[N+](=O)[O-])CC1 1831776210 KYHOKMCKGNOHQX-SFHVURJKSA-N 433.574 4.107 5 20 IIBD Cc1cscc1C(=O)N1CCCC12CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1C)C2 1843504941 IRSCBJIMRNBNQL-UHFFFAOYSA-N 433.917 4.057 5 20 IIBD CCCn1c2ccccc2c2nnc(SCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)nc21 10007753 HVIQEDCKADDFFP-UHFFFAOYSA-N 440.460 4.168 5 20 IIBD O=C(CSc1ncc(-c2ccc(F)cc2)o1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 10847731 UMHFHYIQFJGMAT-UHFFFAOYSA-N 445.428 4.281 5 20 IIBD Cc1cccc(C(=O)OCC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)c1[N+](=O)[O-] 21835802 JTEXAZBXYSYIKH-QHCPKHFHSA-N 436.439 4.447 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3OC)cc2)c([N+](=O)[O-])c1 23395950 ZZKSUKNDEJJMGA-UHFFFAOYSA-N 430.438 4.205 5 20 IIBD CCOC(=O)c1cc(C(=O)OCc2coc(-c3ccc(Cl)cc3)n2)cc([N+](=O)[O-])c1 24417645 LBJFBISPFMNMAF-UHFFFAOYSA-N 430.800 4.437 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N2CCC(C(=O)c3ccc(C)cc3C)CC2)c([N+](=O)[O-])c1 26643239 UUCQGLZBBAPWCS-KRWDZBQOSA-N 439.512 4.142 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)cc1OC 57789472 XYBDEZAWDYUKJH-SFHVURJKSA-N 447.557 4.267 5 20 IIBD CCCCCN(C(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1)[C@H](C)CCC 63327694 YXBHHPNKZGFWBL-GOSISDBHSA-N 432.565 4.084 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1cc(-c2cccs2)on1)c1ccccc1[N+](=O)[O-] 105476844 VMQDFOUXHOXXEH-AWEZNQCLSA-N 429.454 4.124 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(OCc2cn3ccccc3n2)c1 111032645 VSDBEUVFUCGWAX-UHFFFAOYSA-N 431.452 4.140 5 20 IIBD Cc1nc2[nH]c(S[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)nc2cc1Br 216431056 PRFRYAQABHFEAL-VIFPVBQESA-N 436.291 4.056 5 20 IIBD COc1ccc(NC(=O)c2cc(Br)sc2Br)c([N+](=O)[O-])c1 227266070 NLCCJHWDAJHWDE-UHFFFAOYSA-N 436.081 4.442 5 20 IIBD COc1cc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)ccc1OCCO 237262894 QNNAMESFXXUNCW-UHFFFAOYSA-N 432.860 4.178 5 20 IIBD O=c1c(Cl)c(N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cnn1-c1ccc([N+](=O)[O-])cc1 302018962 MVKIBDYHBVVXGQ-VQIMIIECSA-N 448.813 4.014 5 20 IIBD Cc1cc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 302187294 PYENLRITLBKJIC-MRXNPFEDSA-N 432.406 4.417 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 302643614 LVALBXMXCUWBRC-LJAQVGFWSA-N 444.534 4.191 5 20 IIBD CC(C)(C)c1nc2cc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)ccc2o1 303529336 RKVXNOJXQRXZNK-AWEZNQCLSA-N 442.497 4.338 5 20 IIBD Cc1cccc(C)c1OC[C@H](NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C(C)(C)C 426050249 YWYJDRBJGSKDMJ-IBGZPJMESA-N 443.548 4.248 5 20 IIBD Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 427597967 AFCBSSCUWZRVRL-UHFFFAOYSA-N 436.365 4.485 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)N(C(N)=O)CCC2 427964743 KAVRZSJANQMSDT-UHFFFAOYSA-N 428.514 4.427 5 20 IIBD Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)COc3ccc([N+](=O)[O-])c4cccnc34)cc2)n1 428019217 ZBKJDJOUASYSSQ-QGZVFWFLSA-N 445.479 4.202 5 20 IIBD CCOC(=O)[C@@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(OC)c(F)c1 428388438 ISJYUWMJDBXYLE-NRFANRHFSA-N 428.416 4.397 5 20 IIBD O=C(Nc1ccc(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1)c1ccco1 429845078 AKGZWUDSFDQQDZ-UHFFFAOYSA-N 444.241 4.133 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])C(F)(F)F 434644262 FNHBBGHPTNCPEL-HXUWFJFHSA-N 447.417 4.229 5 20 IIBD COc1cc(C(=O)NCCc2cc(Cl)ccc2Br)c([N+](=O)[O-])cc1OC 435381497 UGMVGDVSWHHIFW-UHFFFAOYSA-N 443.681 4.000 5 20 IIBD COCCOc1ccc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc1F 436136404 SFDCVFXFDSPWJE-UHFFFAOYSA-N 442.393 4.376 5 20 IIBD O=C(Nc1ccccc1N1CCCCCC1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 437060144 HSKSGSOXQVDTAP-UHFFFAOYSA-N 436.512 4.105 5 20 IIBD COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 442123385 JZWJFCCSMLXEHU-HSZRJFAPSA-N 447.491 4.259 5 20 IIBD C[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1nc(-c2cccc(F)c2)no1 444112494 CMBCBKMKHFNFRT-CYBMUJFWSA-N 428.423 4.361 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ncoc1-c1cccc(C(F)(F)F)c1 444630737 IGXWEYBAUKRGIK-UHFFFAOYSA-N 431.330 4.075 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)Cc1noc(/C=C/c2cccc([N+](=O)[O-])c2)n1 445314730 CPLWAZLCDUERID-VOTSOKGWSA-N 428.832 4.300 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(-c3oc4ccccc4c3CSc3ncccn3)n2)n1C 445600397 LPOWSSGDAOZCTR-UHFFFAOYSA-N 449.452 4.182 5 20 IIBD Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 446860773 IPRMQLIFAZQILM-QGZVFWFLSA-N 436.434 4.429 5 20 IIBD CCN([C@@H](C)c1cccc(OC)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 447016407 JTPQNZQBACBKNX-LBPRGKRZSA-N 443.319 4.138 5 20 IIBD Cc1ccc([C@@H]2OCCC[C@H]2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 447027843 FULJHLFZXLEJIT-AEFFLSMTSA-N 444.431 4.121 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc3c(c2)CC(=O)N3C)cc1 447663168 XWTKYNDPNIHFRG-UHFFFAOYSA-N 433.420 4.167 5 20 IIBD O=C(Nc1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)c1c(Cl)cccc1[N+](=O)[O-] 460342150 FTVHJOJEVQJBPU-UHFFFAOYSA-N 439.786 4.440 5 20 IIBD O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 463356322 DVAFGTZTOYCCCP-UHFFFAOYSA-N 436.390 4.040 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cc(-c4ccncc4)nn3C)cc2[N+](=O)[O-])C1 463903891 PMDWDWWIYWLRKX-HOTGVXAUSA-N 434.500 4.125 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1cc(Br)c2c(c1)OCCO2 463960086 XGWBHXCBJUFWTM-UHFFFAOYSA-N 436.262 4.067 5 20 IIBD CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc1 463973701 ZXFNVMKIEZLTBP-KRWDZBQOSA-N 442.516 4.389 5 20 IIBD C[C@H](Nc1ccc(C(=O)N(C)CCOCc2ccccc2)cc1[N+](=O)[O-])c1ccccn1 465108546 GGWPYLRIHASLLX-SFHVURJKSA-N 434.496 4.452 5 20 IIBD O=C(NCC1(c2ccc(F)cc2)CCC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465777255 IKBCVDIPRALWGB-UHFFFAOYSA-N 427.476 4.409 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@]2(CCO[C@@H]2C)O1 468522346 HPHZBERWSTWPEB-HLFMIMNKSA-N 446.887 4.449 5 20 IIBD CCN(Cc1ccc2ccccc2c1)C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 469098316 YJVPIYVJGCRDKS-UHFFFAOYSA-N 431.448 4.064 5 20 IIBD CC(C)c1ccc([C@H]2CCCN2C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)cc1 469689298 FHVHAUZQUZFQSD-LJQANCHMSA-N 435.480 4.349 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(Cc2nnc3n2CCCCC3)cc1 471121221 PQTZJJURBPWMEG-UHFFFAOYSA-N 435.484 4.155 5 20 IIBD Cc1ccccc1-c1nc(CNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])no1 476354144 NDUFZDKVOMFTKQ-UHFFFAOYSA-N 449.389 4.090 5 20 IIBD Cc1cccc(CC2(O)CCN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)c1 477663293 NHRHDIQNJHQLBK-UHFFFAOYSA-N 437.521 4.237 5 20 IIBD Cc1c(C(=O)N2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)oc2ccc(F)cc12 478094547 XRIWCCJJJULRPG-UHFFFAOYSA-N 437.431 4.017 5 20 IIBD Cc1ccc(C(=O)N2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)c(Cl)c1C 478104538 JWJMAWRIFWDQCZ-UHFFFAOYSA-N 427.892 4.094 5 20 IIBD COC(=O)c1cnc(Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)c([N+](=O)[O-])c1 478279620 IXJFASHTSVQVFD-UHFFFAOYSA-N 446.463 4.042 5 20 IIBD COCCN(Cc1sccc1Br)C(=O)Nc1ccc([N+](=O)[O-])cc1F 479203800 IRLSCLHLOAOWGH-UHFFFAOYSA-N 432.271 4.238 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N(Cc1ncc[nH]1)c1cccc(F)c1 479388432 TUKKJHGCMDIGNJ-UHFFFAOYSA-N 426.451 4.250 5 20 IIBD CCn1c(SC[C@@H](O)COCc2ccccc2Cl)nnc1-c1ccc([N+](=O)[O-])cc1 480374093 ZHRLCFQLPWOUHW-KRWDZBQOSA-N 448.932 4.196 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)C[C@H](O)Cc2ccccc2)cc1 481135597 CBSISZRNVGMJFP-LJQANCHMSA-N 436.464 4.071 5 20 IIBD CCOC(=O)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C1 481951276 HWZSABDLZISZPP-INIZCTEOSA-N 445.903 4.276 5 20 IIBD C[C@@H](CC(N)=O)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 482278059 QLJOPELMYNHAHB-XOAFGZPJSA-N 444.491 4.014 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)N[C@H](C)CC(=O)Nc3ccc([N+](=O)[O-])cc3)n2)cc1F 483653222 NPENDWCJYZQKRU-ZIAGYGMSSA-N 427.436 4.160 5 20 IIBD C[C@H](c1ccc(F)c(F)c1)N(C)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 488882292 CBGPKJRWUJCLGR-SECBINFHSA-N 435.246 4.017 5 20 IIBD CC1(c2ccccc2)CCC(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 489236025 RMJPIFOPZQPXDV-FRIYVGAWSA-N 441.553 4.278 5 20 IIBD O=C(NCc1nc(-c2cccc(F)c2)no1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 489308136 WWCLEYQZLLKNDR-UHFFFAOYSA-N 447.426 4.326 5 20 IIBD C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 489861808 QINOYMLTGNGPMV-UONOGXRCSA-N 433.306 4.164 5 20 IIBD O=C(Nc1ccc2nccnc2c1Br)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 490836002 UYPJYDHCDYHXED-UHFFFAOYSA-N 442.273 4.497 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2F)cc1OC 490915389 UMLMLVJBPGYPDS-UHFFFAOYSA-N 434.420 4.349 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Nc2ccc(F)c(NC(=O)c3ccoc3C)c2)cc1[N+](=O)[O-] 491587326 WXRDBKBSGXTKET-UHFFFAOYSA-N 447.444 4.305 5 20 IIBD COc1ccc(NC(=O)C2(NCc3c(Cl)cccc3[N+](=O)[O-])CCCC2)cc1OC 492038967 BKPLWCJBJCBTOH-UHFFFAOYSA-N 433.892 4.307 5 20 IIBD C[C@@H](NCc1cc(I)cc([N+](=O)[O-])c1)[C@H]1OCCc2sccc21 492195439 VWTLMIFEBFREAB-QLJPJBMISA-N 444.294 4.053 5 20 IIBD CCC1(CC)CN(C(=O)c2cc(OC)c(OCCOC)cc2[N+](=O)[O-])c2ccccc21 500877545 GEQDHYCDESXNNC-UHFFFAOYSA-N 428.485 4.347 5 20 IIBD COc1ccccc1N1CCN(c2c([N+](=O)[O-])cnc3ccc(Br)cc23)CC1 502100781 WODCGZYTECOPIS-UHFFFAOYSA-N 443.301 4.241 5 20 IIBD Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)CCn3nc(C)c([N+](=O)[O-])c3C)s2)cc1 502576721 XCXPAHKIRNQDHL-CQSZACIVSA-N 427.530 4.416 5 20 IIBD CCOC(=O)Cn1nc(-c2ccccc2)cc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 503630479 FDJITULLSWHPFA-UHFFFAOYSA-N 434.408 4.020 5 20 IIBD CCCN(C(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)[C@H](C)CC(=O)Nc1ccccc1 504227000 DWYQWAFGGCLENO-OAHLLOKOSA-N 436.468 4.118 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccn(-c3ccncc3)n2)cc1 505135581 NWGNWYJDODHMKX-UHFFFAOYSA-N 431.408 4.229 5 20 IIBD COc1cc(C(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)c([N+](=O)[O-])cc1OC 506074126 YXBHGOUOTMKVAS-SFHVURJKSA-N 441.871 4.374 5 20 IIBD CCSc1nnc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)s1 506234888 TVJZGIGEQPTMOI-LLVKDONJSA-N 430.515 4.379 5 20 IIBD CC(C)N(Cc1cccc(F)c1)C(=O)c1ccc([N+](=O)[O-])cc1I 508992040 BMLSICJBQFZDMS-UHFFFAOYSA-N 442.228 4.389 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCC(n2cncn2)CC1 509966036 FCTZDJJFXORNBR-UHFFFAOYSA-N 427.848 4.109 5 20 IIBD C[C@@](CO)(NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(Br)cc1 511597289 VCTDNQVFZHCKFJ-FQEVSTJZSA-N 446.301 4.052 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2C(=O)N[C@@](C)(c3ccsc3)C2=O)cc1OC 513645042 GZPXITGZCGFQDE-ZSEKCTLFSA-N 447.513 4.057 5 20 IIBD CCOc1cc(NC(=O)NCc2ccccc2OC(F)F)c([N+](=O)[O-])cc1OCC 514504299 CXQWMRJBOHEENU-UHFFFAOYSA-N 425.388 4.315 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1c(-c2cccs2)nc2ccccn12 514762329 XKYNIEYULPLVFJ-UHFFFAOYSA-N 433.453 4.169 5 20 IIBD Cc1cc(N(C)C)ccc1NC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 515235512 KOMRIDBZKFKIFD-UHFFFAOYSA-N 425.411 4.222 5 20 IIBD CC[C@@H](c1ccccc1)c1nnc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])s1 518042301 HFOIXECYWKSARS-ZDUSSCGKSA-N 428.470 4.258 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc(-c2nnc3n2CCCCC3)cc1 520963246 XKTLQBBCOBQLBM-UHFFFAOYSA-N 430.468 4.173 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3cccc(-n4ccnc4)c3)cc2[N+](=O)[O-])C1 522357133 WJIAZOJPVHSJHE-QZTJIDSGSA-N 433.512 4.193 5 20 IIBD Cc1c(C(=O)N[C@H](Cc2ccccc2)c2ccccc2F)nnn1-c1cccc([N+](=O)[O-])c1 524845999 XBTQOBBOPQBGGY-JOCHJYFZSA-N 445.454 4.337 5 20 IIBD COc1ccc([C@H]2CCCN2C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1OC 525354470 SOORDUXMGUIQDX-HXUWFJFHSA-N 427.501 4.481 5 20 IIBD CC[S@](=O)[C@@H]1CCC[C@@H](NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 531176874 WOYVAHXAIHSMIR-BJJWGTRISA-N 446.569 4.352 5 20 IIBD Cc1ccc(Cl)cc1NC(=O)[C@H](C)[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534795683 KNBBQFWUSQDCKH-FZPQWHJUSA-N 447.900 4.488 5 20 IIBD COc1cc(C(=O)N[C@H]2CCO[C@@H]2C2CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 534815525 SKMANKKTNBSBAK-MGPUTAFESA-N 432.860 4.346 5 20 IIBD O=C(NC1CCC(F)(F)CC1)c1ccc(C(=O)NC2CCC(F)(F)CC2)c([N+](=O)[O-])c1 534940940 HMSLWIFCUNNKGA-UHFFFAOYSA-N 445.413 4.210 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1nc2ccccc2n1CCc1ccccn1 535377184 YGUOFSICMUMNMI-UHFFFAOYSA-N 440.463 4.245 5 20 IIBD Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)Nc1cc([N+](=O)[O-])ccc1O 536195953 DCGBPTFOJLABKU-UHFFFAOYSA-N 431.246 4.118 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N(C)CCC2CCN(c3ccncc3)CC2)cc1[N+](=O)[O-] 538874905 GQGHUDNVGCDJGI-SFHVURJKSA-N 425.533 4.307 5 20 IIBD CCN(CC)C(=O)CCC1CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 541085466 JOORNZKGANTKRT-INIZCTEOSA-N 429.521 4.066 5 20 IIBD COc1ccccc1-c1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1 541135608 BKUYWAVKDRHYHK-OAHLLOKOSA-N 449.463 4.095 5 20 IIBD CC[C@@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1nc(C(F)(F)F)cs1 541635936 VYAPXPQDUMRYPB-LLVKDONJSA-N 432.424 4.148 5 20 IIBD NC(=O)c1ccc(SCC(=O)Nc2ccccc2NCC2CCCCC2)c([N+](=O)[O-])c1 542059279 LFZSJWROKYLOAZ-UHFFFAOYSA-N 442.541 4.417 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 544086695 KWXTXDDDIQNPLG-INIZCTEOSA-N 435.889 4.097 5 20 IIBD CC(C)COc1ccccc1-c1noc(CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)n1 544134300 RODDQTBQWRIKHG-UHFFFAOYSA-N 438.440 4.220 5 20 IIBD CN(C)CCOc1ccccc1-c1noc(-c2cc(Br)cc([N+](=O)[O-])c2)n1 545697240 SODJWLVARLRPDY-UHFFFAOYSA-N 433.262 4.015 5 20 IIBD COc1cc(Cc2noc([C@@H](C)Oc3ccc(CCC(C)=O)cc3)n2)ccc1[N+](=O)[O-] 545777070 WRRSCVXFYKRKGC-OAHLLOKOSA-N 425.441 4.239 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 546965778 RZOXDVYQIZRXIZ-UHFFFAOYSA-N 442.859 4.327 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3-c3ccc(CN4CCOCC4)cc3)no2)[nH]1 547083045 HPPMFAXPCDKMSU-UHFFFAOYSA-N 431.452 4.139 5 20 IIBD O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)NCCc1ccccc1[N+](=O)[O-] 548749238 GZBTXRUHOICOCB-UHFFFAOYSA-N 430.917 4.456 5 20 IIBD O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CCCCC[C@H]1c1ccco1 551496699 XIPKEMGIQXMLBS-HNNXBMFYSA-N 436.262 4.033 5 20 IIBD CCOC(=O)C(C)(C)C1CCN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)CC1 553188276 MTGMXZXKAQYFPA-UHFFFAOYSA-N 441.322 4.107 5 20 IIBD Cc1cc(CNc2ncnc3sc([N+](=O)[O-])cc23)ccc1I 553226549 SKZIKMZFLPPNIT-UHFFFAOYSA-N 426.239 4.125 5 20 IIBD CNc1nccc(C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)c1[N+](=O)[O-] 557482030 UFHZVVIRQIMACN-UHFFFAOYSA-N 438.296 4.638 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(Cc1ncc[nH]1)c1cccc(F)c1 559556701 NRFRNGXQRGNLOH-UHFFFAOYSA-N 433.237 4.375 5 20 IIBD COc1cc(Cc2noc(Cc3c[nH]c4cccc(Cl)c34)n2)c([N+](=O)[O-])c(OC)c1 559985581 XQMQNJDUTSZTPV-UHFFFAOYSA-N 428.832 4.311 5 20 IIBD Cn1cc(CN2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 568696831 YCGBPOZFXNVNCA-OAHLLOKOSA-N 448.449 4.127 5 20 IIBD Cc1cccc(CC2(O)CCN(C(=O)c3cc([N+](=O)[O-])cc(Br)c3C)CC2)c1 572024936 ISUUGONIHRCMHA-UHFFFAOYSA-N 447.329 4.184 5 20 IIBD O=C(Cc1noc([C@@H](Oc2ccccc2)c2ccccc2)n1)NCc1ccc([N+](=O)[O-])cc1 574556200 LXOHVHXDWVMXSL-QHCPKHFHSA-N 444.447 4.005 5 20 IIBD CC1(C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H]1c1cccs1 575012682 ULEZZRLNFKQPGT-AWEZNQCLSA-N 431.333 4.191 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 577252794 ZGHZFFWDMFKWBL-NHCUHLMSSA-N 444.491 4.283 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(Oc2cncc(Cl)c2)CC1 580276458 BVXALEPJKUBOEP-CYBMUJFWSA-N 429.864 4.298 5 20 IIBD CCc1nnc(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)s1 584382486 XNAWHWYDUGBSRA-UHFFFAOYSA-N 448.888 4.393 5 20 IIBD COc1ccc(-c2ccc(CNCCCn3cc(Br)cn3)o2)c([N+](=O)[O-])c1 588931824 AAQMPMRYYNZOES-UHFFFAOYSA-N 435.278 4.002 5 20 IIBD COc1ccc(CSCC(=O)N(C)Cc2ccccc2OC(F)(F)F)cc1[N+](=O)[O-] 603566807 HFURUDJTZMEGOO-UHFFFAOYSA-N 444.431 4.394 5 20 IIBD COc1cccc2cc(C(=O)N[C@@H](CC(=O)OC(C)C)c3ccccc3[N+](=O)[O-])oc12 603606480 DOMPNFZBZCZMCO-INIZCTEOSA-N 426.425 4.162 5 20 IIBD C[C@@H](NC(=O)NCc1ccc(N2CCc3ccccc3C2)nc1)c1cccc([N+](=O)[O-])c1 604130473 JSFOXBQZUVIKDJ-QGZVFWFLSA-N 431.496 4.113 5 20 IIBD CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 604476236 FLIXTYQBABFRHN-JOCHJYFZSA-N 439.512 4.253 5 20 IIBD Cc1cc(NC(=O)c2csc(-c3ccc4c(c3)OCO4)n2)n(-c2ccc([N+](=O)[O-])cc2)n1 608962367 HEDCVDKJMFXEIF-UHFFFAOYSA-N 449.448 4.193 5 20 IIBD O=C(COC1CCOCC1)Nc1cc([N+](=O)[O-])ccc1Nc1cccc(C(F)(F)F)c1 609754089 ZYXSVLQRZSFFOZ-UHFFFAOYSA-N 439.390 4.491 5 20 IIBD CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 609865818 IOAKGOLZVJBKAO-XCLFUZPHSA-N 428.876 4.155 5 20 IIBD COc1cc(CCNC(=O)[C@@H](C)Cc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC 609986111 UPJFTYKKFDWQAM-ZDUSSCGKSA-N 440.418 4.168 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N[C@H](c1ccccc1)[C@@H]1CCCO1 727828933 DNQJCXQJPHHZBI-DLBZAZTESA-N 430.404 4.221 5 20 IIBD COC(=O)[C@@H](C)NC(=O)c1ccc(N[C@H](C)c2csc3ccccc23)c([N+](=O)[O-])c1 729986124 HTCUEMHEXRMOET-CHWSQXEVSA-N 427.482 4.274 5 20 IIBD COc1ccc(C(=O)OC[C@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])c2ccccc12 730705191 UVBTVEIKUOFMCG-MRXNPFEDSA-N 434.448 4.218 5 20 IIBD O=C(CCCOc1ccc(Cl)cc1)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730705620 QYKLAVQALUIBMN-KRWDZBQOSA-N 446.887 4.255 5 20 IIBD O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(C2SCCCS2)cc1 731505826 UHJLWLQBBILLKV-GOSISDBHSA-N 444.534 4.426 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 731639791 WHAZZHVVHOIBPS-UHFFFAOYSA-N 441.440 4.163 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCCOc1cccc(C(F)(F)F)c1 731977092 YLXFKDBZDHJFJM-UHFFFAOYSA-N 440.346 4.101 5 20 IIBD CCN(Cc1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1)C(=O)OC(C)(C)C 732526350 OUBFHCDAKAKRFL-UHFFFAOYSA-N 435.502 4.153 5 20 IIBD COc1c([N+](=O)[O-])cc(N[C@@H](C)c2cnn(C(C)C)c2)c([N+](=O)[O-])c1Br 733190191 ABTFWYVQVMSNHW-VIFPVBQESA-N 428.243 4.225 5 20 IIBD COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1NC(=O)OC(C)(C)C 734417622 BUUXDGQDPYYFSU-UHFFFAOYSA-N 437.474 4.060 5 20 IIBD CC(C)(C)C[C@H](O)CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 735821688 UIIINABILVLJSN-AWEZNQCLSA-N 433.892 4.027 5 20 IIBD Cc1cc(Br)ccc1NC(=O)COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 740390971 IQEHJWPPWCVWAU-UHFFFAOYSA-N 435.274 4.125 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(OC(=O)[C@H](Cc2ccccc2)C(C)C)c([N+](=O)[O-])c1 740534926 JFLPXFZRVYEFMT-LJQANCHMSA-N 448.541 4.046 5 20 IIBD Cc1ccc(Oc2ccc(Nc3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])cc2)nn1 742412488 FHXBEMBVWXPSHK-UHFFFAOYSA-N 436.396 4.225 5 20 IIBD C[C@H](C(=O)NCCc1ccccc1[N+](=O)[O-])[C@H](NC(=O)OC(C)(C)C)c1ccccc1 742713730 CTDPFTUCINRYGZ-JXFKEZNVSA-N 427.501 4.156 5 20 IIBD Cc1sc(NC(=O)C(C)C)c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1C 744935284 ARKREICKOXFBGB-GFCCVEGCSA-N 433.486 4.052 5 20 IIBD C[C@@H](OC(=O)c1ccccc1NC(=O)C(C)(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 745015598 AZJLYKTXMKHAOP-GFCCVEGCSA-N 447.875 4.417 5 20 IIBD C[C@H](OC(=O)[C@H](C)CC(=O)c1ccccc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 745486703 KHNIAGQONDHCHI-OLZOCXBDSA-N 427.388 4.297 5 20 IIBD O=C(NC[C@H](c1ccccc1)N1CCc2sccc2C1)c1cc(F)ccc1[N+](=O)[O-] 745497725 VYTZZYRXFXBLDH-HXUWFJFHSA-N 425.485 4.325 5 20 IIBD COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 746684852 GQVMCAVRJOEQHQ-UHFFFAOYSA-N 447.900 4.158 5 20 IIBD C[C@@H](OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1nc2ccccc2s1 749218298 MRQISOYBBFLOCC-ZIAGYGMSSA-N 427.482 4.060 5 20 IIBD C[C@H]1C[C@H](C)CN(CCCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 749421946 KRVKPPUPDPRUFG-RYUDHWBXSA-N 432.746 4.109 5 20 IIBD C[C@@H](OC(=O)c1c(F)cccc1Br)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 750376921 BVBGPPXIIWZONO-MRVPVSSYSA-N 445.628 4.334 5 20 IIBD C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] 750576215 IZVOTKPDCVDQMO-GFCCVEGCSA-N 445.884 4.459 5 20 IIBD C/C(=C/C(=O)N(C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(Cl)c1 750686601 HCMNKALSWQVWDO-FLIBITNWSA-N 429.281 4.152 5 20 IIBD COc1ccc(Br)c(CNC(=O)c2cc([N+](=O)[O-])ccc2Br)c1 751097481 YWGQDGSLCDPDNU-UHFFFAOYSA-N 444.079 4.058 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)cc1[N+](=O)[O-] 752195624 MAIBDTQFJMEFDB-UHFFFAOYSA-N 446.872 4.005 5 20 IIBD CC(C)C(=O)Nc1ccc(OC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 753719870 BDSQSEZENTUSTC-UHFFFAOYSA-N 426.347 4.350 5 20 IIBD O=Cc1cc(C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)cs1 754990964 XDCFBBVPQQYZRQ-UHFFFAOYSA-N 441.534 4.155 5 20 IIBD Cc1cnn(-c2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3Br)cc2F)c1 755004609 BYQOABYUBUBUGJ-UHFFFAOYSA-N 437.200 4.382 5 20 IIBD C[C@@H]1CN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C[C@@H](c2ccsc2)O1 755026615 UKGAOURZPUBCJU-BMIGLBTASA-N 426.292 4.413 5 20 IIBD C[C@H](C(=O)OCc1cccc(C(=O)NCc2ccco2)c1)c1ccc([N+](=O)[O-])cc1F 755059379 AOAUOBCUJJGHGN-AWEZNQCLSA-N 426.400 4.104 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1csc([C@H]2CCCO2)n1 756485291 CCTOKYAYPMEJHR-MRXNPFEDSA-N 443.485 4.004 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC(c2c[nH]c3ncccc23)CC1 762278928 GHVPTUFDXOMICA-UHFFFAOYSA-N 434.905 4.001 5 20 IIBD O=C(O[C@@H]1CCO[C@@H]([C@H]2CCOC2)C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 763107306 ZXBAXHCCOUFTJK-XAUMDUMWSA-N 429.494 4.487 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 763507615 RFUZYBAUBXRDOV-UHFFFAOYSA-N 439.877 4.167 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)ccc1Cl 764543854 SDTRRIPJCMPGKS-UHFFFAOYSA-N 431.282 4.221 5 20 IIBD CCn1c(SCc2nnc(-c3cccc(F)c3)o2)nnc1-c1ccc([N+](=O)[O-])cc1 765355061 ONQDDYVFRJXNCL-UHFFFAOYSA-N 426.433 4.355 5 20 IIBD Cc1ccc2c(c1)nc(CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)n2C 769641342 NCYAMYJXMWERLN-UHFFFAOYSA-N 437.681 4.136 5 20 IIBD C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H](O)c1c(Cl)cccc1Cl 771718489 QAVBCICIVQNAKX-CWTRNNRKSA-N 438.311 4.354 5 20 IIBD CC(C)(C)OC(=O)N1CCc2ncc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2C1 773406629 WIBZWOMFAGGPNV-UHFFFAOYSA-N 432.864 4.189 5 20 IIBD C[C@@H](OC(=O)c1sc(Br)cc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1 773612138 KNJZYEDVBHOTRY-SSDOTTSWSA-N 433.667 4.256 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(C[C@@H](O)c3ccc(F)c(Br)c3)CC2)cc1 774631983 OBWIMPDBHVHBGD-LJQANCHMSA-N 439.281 4.073 5 20 IIBD Cc1c(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 778103933 CMYVYFVSVOBBTB-LLVKDONJSA-N 439.255 4.127 5 20 IIBD O=C(NC1CCN(c2nc3ccccc3s2)CC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 778250526 BGULOIUQLNPAQC-UHFFFAOYSA-N 432.452 4.082 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cnc2ncc(Br)cc2c1 780295530 YZDGQRVVWZEZNL-UHFFFAOYSA-N 435.665 4.226 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 781340788 UMUZQAPZYXDDJY-KRWDZBQOSA-N 446.548 4.105 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl 783322221 YMAMQGALVIAJFM-ZDUSSCGKSA-N 428.659 4.297 5 20 IIBD O=C(O[C@H](c1ccccc1)c1nc(-c2ccccc2)no1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 787654003 XMCHWAPDAVQHQQ-LJQANCHMSA-N 446.375 4.499 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC2(CCN(Cc3ccccc3)C2)CC1 790557137 AMQXGCXRWWEQCI-UHFFFAOYSA-N 445.922 4.445 5 20 IIBD CCOCc1ccccc1CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 790666157 CESSPPGJCUGGNH-UHFFFAOYSA-N 448.317 4.162 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1cc(N2CCCC2=O)ccc1Cl 790803213 OJNLHYMIEJRRAN-UHFFFAOYSA-N 426.231 4.349 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NC1(c2cc(C(F)(F)F)ccc2Cl)CC1 791440898 IXSHVDBCSNAJPB-UHFFFAOYSA-N 438.793 4.422 5 20 IIBD COc1c(NCc2c(Br)cccc2[N+](=O)[O-])cc(Cl)cc1C(=O)N(C)C 793644567 GXCRQEREWSNGCO-UHFFFAOYSA-N 442.697 4.333 5 20 IIBD Cc1c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cnn1-c1ccc(Cl)cc1 800929083 HAJGBHFEVJKGGD-UHFFFAOYSA-N 427.269 4.197 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2occ3c2CCOC3)c2ccccc2)c([N+](=O)[O-])c1 803884561 XRKJZPVHFRNRFB-HXUWFJFHSA-N 436.420 4.106 5 20 IIBD CC(C)(C)OC(=O)NCC[C@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl 805297723 JVJWUMKVPSSAKH-OAHLLOKOSA-N 425.913 4.087 5 20 IIBD CS[C@H]1CCC[C@@H](NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 806827248 OQTRIZCKMZBRIA-NEPJUHHUSA-N 428.352 4.099 5 20 IIBD Nn1c(COc2ccc(F)cc2)nnc1SCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 809954270 RKRKKFHADYMYQW-UHFFFAOYSA-N 444.275 4.217 5 20 IIBD COc1ccc([C@H](O)C2CCN(Cc3c(Br)cccc3[N+](=O)[O-])CC2)cc1 812776416 VAEYBSXQNCFXMX-FQEVSTJZSA-N 435.318 4.312 5 20 IIBD O=C(O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)c1cnc(Cc2ccc(F)cc2)s1 813174030 OHASRWGXFXIUCH-IBGZPJMESA-N 441.484 4.213 5 20 IIBD COc1ccccc1-c1nc(C(=O)O[C@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)cs1 813174381 ZSAACQJZLJRHCP-KRWDZBQOSA-N 439.493 4.158 5 20 IIBD O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCC(c2nnc(S)n2C2CC2)CC1 813443243 ZAJWIVBVTDLBTE-UHFFFAOYSA-N 442.328 4.137 5 20 IIBD CC(=O)N(c1ccc(Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])cc1)[C@H]1C[C@H]1C 814943427 GANHJHUHTFWGMI-DIFFPNOSSA-N 439.440 4.096 5 20 IIBD C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccnc(O)c1 818035573 YCHDWMFDEAPOQY-LBPRGKRZSA-N 440.843 4.092 5 20 IIBD CC(C)[C@H](OC(=O)COc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1C(F)(F)F 915387277 CUKUVVQFFAJXJB-SFHVURJKSA-N 440.374 4.199 5 20 IIBD CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 915469828 XIXMLRVXUGXKNR-CVEARBPZSA-N 436.468 4.478 5 20 IIBD CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 915469829 XIXMLRVXUGXKNR-HOTGVXAUSA-N 436.468 4.478 5 20 IIBD Cc1cc(Br)ccc1N(Cc1ccc(Cl)c([N+](=O)[O-])c1)S(C)(=O)=O 915671619 SXTVOBFHHIZQMS-UHFFFAOYSA-N 433.711 4.285 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(Cc2cnc(-c3ccccc3)nc2)CC1 917027499 CNOBXCDIWNUQSS-UHFFFAOYSA-N 443.429 4.393 5 20 IIBD C[C@H](Cc1ccc(Br)cc1)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 918582351 VWSBSIQKXBCOTB-CQSZACIVSA-N 432.318 4.319 5 20 IIBD COc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)ccc1NC(=O)OC(C)(C)C 921294306 KDJCBOFXBSWIAC-UHFFFAOYSA-N 437.474 4.060 5 20 IIBD O=C(NCCCOCc1ccccc1)c1cc(Br)cc([N+](=O)[O-])c1Cl 1116408949 CYRKQHAMIGAUBU-UHFFFAOYSA-N 427.682 4.347 5 20 IIBD Cc1c(I)cccc1NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl 1320819347 SEGUEMVURKERTF-UHFFFAOYSA-N 445.644 4.483 5 20 IIBD Nc1c(C(=O)N2CCCCC[C@@H]2[C@@H]2CCCCC2=O)cc(Br)cc1[N+](=O)[O-] 1322744627 GCVAADPZKHHDKR-DZGCQCFKSA-N 438.322 4.084 5 20 IIBD CC(C)[C@@]1(CO)CCN([C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C1 1329943873 BPZBYMQWRPVOGQ-IRLDBZIGSA-N 431.920 4.268 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCc3ccc(-c4nnco4)cc3)cc2[N+](=O)[O-])C1 1344028375 UCZAXKRENGRFBB-HOTGVXAUSA-N 435.484 4.057 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C3(NC(=O)CC4CC4)CCC3)cc2)c1 1790054605 MKSCZDFNBIAFKT-UHFFFAOYSA-N 436.512 4.209 5 20 IIBD C[C@H]1C[C@]1(C)C(=O)Nc1ccc(C2(NC(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)CCC2)cc1 1790424088 CSLBZTKADHAFEI-PSLXWICFSA-N 447.495 4.265 5 20 IIBD Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2c(F)ccc([N+](=O)[O-])c2C)ccc1F 1800700088 LSMPDQPXTDJVOS-BJWYYQGGSA-N 443.450 4.055 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)[nH]n1)C1CCCC1 1816675918 JRTPYQAPZACQAP-FQEVSTJZSA-N 439.516 4.133 5 20 IIBD COc1cccc(Nc2nnc(S[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)s2)c1 3601402 RDYDXERFLDYPLK-NSHDSACASA-N 431.499 4.318 5 20 IIBD COc1ccc(C(=O)Nc2ccccc2C(=O)OCc2cc([N+](=O)[O-])ccc2OC)cc1 10191340 STQJZTDZFAQQMP-UHFFFAOYSA-N 436.420 4.221 5 20 IIBD O=[N+]([O-])c1cc2c(c(CSc3ncnc4c3cnn4-c3ccc(F)cc3)c1)OCOC2 13294845 CQHGKQSUKNOFMI-UHFFFAOYSA-N 439.428 4.022 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OC 16800350 CCMXKMRWWYUBNX-LLVKDONJSA-N 430.438 4.011 5 20 IIBD CSc1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc(Br)c2)cc1[N+](=O)[O-] 16913271 BCHLNLZRJONNHW-SNVBAGLBSA-N 439.287 4.263 5 20 IIBD CCCCc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 23303112 MEPOASPXFUETQA-OAHLLOKOSA-N 440.529 4.341 5 20 IIBD Cc1ccc(C(=O)OCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)cc1[N+](=O)[O-] 28856307 UPUSNUVPCKKRAC-UHFFFAOYSA-N 436.468 4.182 5 20 IIBD COCCCn1c(Sc2nc3ccccn3c2[N+](=O)[O-])nnc1-c1ccccc1Cl 29163372 OPFIAJWWDYXKJS-UHFFFAOYSA-N 444.904 4.342 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cccc(C(=O)N(C)C)c2)cc1 32934503 WRMRTASCBHJYGT-UHFFFAOYSA-N 435.436 4.350 5 20 IIBD CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCc1coc(-c2ccc(C)cc2)n1 58907915 BHIGNFDHSQWWIG-UHFFFAOYSA-N 448.435 4.500 5 20 IIBD C[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccccc2)c1 97298167 YDUNNEMWSMSHMM-MRXNPFEDSA-N 439.493 4.028 5 20 IIBD COc1ccc(C(=O)Nc2cccc(OCCNCc3csc([N+](=O)[O-])c3)c2)cc1 237476672 MBDDOZUEAXEDOX-UHFFFAOYSA-N 427.482 4.086 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCc1ccc(Br)cc1F 301247097 LPFBGMAUZXINKA-UHFFFAOYSA-N 439.209 4.105 5 20 IIBD O=C(NCc1ccccc1)c1cccc(Oc2ncc(Br)cc2[N+](=O)[O-])c1 301711479 XYWFXGQJHKWAAC-UHFFFAOYSA-N 428.242 4.475 5 20 IIBD Cc1ccc(-c2ncc(CN[C@@H](Cc3c[nH]c4ccc([N+](=O)[O-])cc34)C(=O)O)s2)cc1 426726425 JNQLGQWVMHYPCJ-FQEVSTJZSA-N 436.493 4.294 5 20 IIBD COc1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c(Br)c1 429795898 SSDKBBQSKPPWLZ-UHFFFAOYSA-N 430.052 4.381 5 20 IIBD COc1cc(CN2CCOC[C@@H](C3CCC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 430133288 YPKTUTBZHBGCSO-NRFANRHFSA-N 426.513 4.431 5 20 IIBD Cc1ccc(S(=O)(=O)C2(C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)CCCC2)cc1 430647965 YNHATLBHBWUZCR-QGZVFWFLSA-N 430.526 4.176 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@](C)(CC)COc2ncccc2Cl)cc1OC 435452319 HPNXRWPJNXBETF-HXUWFJFHSA-N 437.880 4.028 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 435592293 GUODHBFSCTYUKQ-JCNLHEQBSA-N 428.432 4.022 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 435937240 OUEWPZZJMZHFFB-QFIPXVFZSA-N 426.472 4.430 5 20 IIBD CC1CCN([C@@H](CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C(C)C)CC1 436109354 KXXJFRWQGRVIDM-NRFANRHFSA-N 441.522 4.446 5 20 IIBD Cc1c(I)cccc1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437118304 QZZYZVQACWFRMO-UHFFFAOYSA-N 436.249 4.313 5 20 IIBD O=C(CN(Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1ccc(OC(F)F)c(Cl)c1 441223788 BUBJGNNMPQZTMB-UHFFFAOYSA-N 425.819 4.453 5 20 IIBD Cc1cc(I)cnc1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 443956448 GRWIDPDVSXRRJC-UHFFFAOYSA-N 439.253 4.453 5 20 IIBD O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444029042 HQVVPLMLMTXYTL-QGZVFWFLSA-N 433.458 4.358 5 20 IIBD O=C(NCCOc1ncc(Cl)cc1Cl)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444221371 DFAHYAJVJLLFHR-UHFFFAOYSA-N 446.265 4.331 5 20 IIBD COc1cc2c(cc1CNC(=O)c1cccc3c(=O)c4cccc(F)c4[nH]c13)O[C@@H](C)C2 444240142 CHRCOKQYPNHFSM-ZDUSSCGKSA-N 432.451 4.082 5 20 IIBD O=C(N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444282844 CGTSKFHPSIDMDD-CVDCTZTESA-N 438.405 4.359 5 20 IIBD C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 444407949 GAWXAVUKBYEGRL-QVKFZJNVSA-N 429.904 4.451 5 20 IIBD C[C@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1cccc(OCc2ccccn2)c1 445492007 MCSQSUMTSJAFCD-KRWDZBQOSA-N 432.480 4.398 5 20 IIBD O=C(c1ccc(F)cc1)C1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 447711543 YJEJXQOJWJXEQF-UHFFFAOYSA-N 435.249 4.232 5 20 IIBD CN(C)[C@@H]1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)nc2)C1 448181784 WFERNMPWKCYXRB-LJQANCHMSA-N 447.495 4.175 5 20 IIBD CCNC(=O)C(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 448398494 UJIFXZOMPNYKKF-UHFFFAOYSA-N 435.933 4.292 5 20 IIBD CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCCO2)C1(C)C 461812594 VEAWJTRXMMZJCU-XUVXKRRUSA-N 443.548 4.062 5 20 IIBD CCO[C@H](C)c1nc(CN2CCN(c3ccc([N+](=O)[O-])c4cccnc34)CC2)cs1 463069259 JHWKXBXOWFSONJ-OAHLLOKOSA-N 427.530 4.019 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccc(Cc2nnc3n2CCCCC3)cc1 464110280 UDKXBLWBJJSOFL-UHFFFAOYSA-N 437.525 4.234 5 20 IIBD CC(C)(CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1cccc(C(F)(F)F)c1 465179443 PVMYJRWLBLCPBY-UHFFFAOYSA-N 438.402 4.021 5 20 IIBD CC(C)CCOc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 465339775 VTHALDCDHCSYDK-KRWDZBQOSA-N 431.514 4.325 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1CNCc1ccc(I)c(C)c1 466365532 XHNWHVLNBXEDST-UHFFFAOYSA-N 426.254 4.196 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](c1ccccc1Cl)C(C)C 469293457 DLHCCWNPIQBMQX-GOSISDBHSA-N 440.905 4.053 5 20 IIBD COc1ccc(-c2ccc(NC(=O)CCn3nc(C)c([N+](=O)[O-])c3C)nc2)cc1Cl 469881242 PRLPIDJUWDWCRT-UHFFFAOYSA-N 429.864 4.161 5 20 IIBD CCc1ccc(C(=O)N2CCN([C@@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)cc1[N+](=O)[O-] 472030138 PMAOZSKGQFWVHA-KRWDZBQOSA-N 449.511 4.035 5 20 IIBD O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 473180005 AKQWRTFQODAZLF-SJLPKXTDSA-N 442.459 4.143 5 20 IIBD C[C@H](CCS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])OCc1ccccc1 473453561 YUALIUXPIYFDOD-CYBMUJFWSA-N 428.304 4.126 5 20 IIBD Cc1cc(C(=O)Nc2cc3c(cc2NC(=O)c2cccs2)OCCO3)cc([N+](=O)[O-])c1 473460965 IMCOBDWAWJGWBX-UHFFFAOYSA-N 439.449 4.241 5 20 IIBD COc1cc(C(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC 477635376 LLTYSIQAAHLPEV-UHFFFAOYSA-N 436.289 4.485 5 20 IIBD O=C(c1ccc(N2CC=C(c3cccc(Cl)c3)CC2)c([N+](=O)[O-])c1)N1CCOCC1 480591066 GVXSFGJILTXKEQ-UHFFFAOYSA-N 427.888 4.014 5 20 IIBD COc1ccc(-c2ccc(CN[C@H]3CCN(Cc4ccc(C)cc4)C3=O)o2)c([N+](=O)[O-])c1 480904189 FDUPBHAXCGHCFC-NRFANRHFSA-N 435.480 4.063 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCC(C)(C)CN2CCCC2)cc1[N+](=O)[O-])c1ccccn1 481619127 INKOXQWXQYVUQT-QGZVFWFLSA-N 425.533 4.015 5 20 IIBD O=C(Nc1nc([C@H]2C[C@H]3CC[C@H]2C3)cs1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 482355324 XCIJJQGZRIGGEV-PWNZVWSESA-N 446.554 4.260 5 20 IIBD CCO[C@@H]1C[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1Oc1ccccc1 482489849 WBSOFUADSDCQRC-NJYVYQBISA-N 425.510 4.433 5 20 IIBD COc1cc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c([N+](=O)[O-])cc1OC 485196684 YJRLVCIIFOYORL-UHFFFAOYSA-N 432.436 4.487 5 20 IIBD Cc1cc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])ccc1C(=O)N(C)C 485702704 QLBDHROLCCPOIX-UHFFFAOYSA-N 433.464 4.436 5 20 IIBD CSc1cccc(C(=O)Nc2cccc(NC(=O)CCN3CCCCC3)c2)c1[N+](=O)[O-] 486215728 AHSSHDGWACBPJX-UHFFFAOYSA-N 442.541 4.384 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 488016769 VNPVBTOTMFOYIR-AEFFLSMTSA-N 442.274 4.413 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)NCCS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 489254199 MXFYBESYEDFNRD-MRXNPFEDSA-N 447.557 4.035 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 494531013 QHUYKYBNGGHBOC-ZDUSSCGKSA-N 429.860 4.326 5 20 IIBD COc1ccc2[nH]nc(NC(=O)c3ccc(N[C@H](C)c4ccccn4)c([N+](=O)[O-])c3)c2c1 495728014 LXIPWFJVPDDVFY-CYBMUJFWSA-N 432.440 4.300 5 20 IIBD COc1ccc(Cl)cc1C[C@H]1CCCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 497532791 FUHXPMRAADGVGO-CQSZACIVSA-N 438.933 4.119 5 20 IIBD COc1cc(CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])ccc1OCc1ccccc1 497536192 PMMCETGWVRZKNL-UHFFFAOYSA-N 442.493 4.198 5 20 IIBD C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 500189169 LLKJMOMUWLBYSH-HNNXBMFYSA-N 438.509 4.010 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCCc3nc4ccccc4s3)cc2)c(C)c1[N+](=O)[O-] 500484498 IJPIUNFMOCVAKW-UHFFFAOYSA-N 435.509 4.039 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)cc1 502329058 DCNDLSRLLIXCJP-NRFANRHFSA-N 435.505 4.328 5 20 IIBD COc1ccc(Br)c(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 503453815 GQRMFIJSGDCLRD-UHFFFAOYSA-N 431.246 4.019 5 20 IIBD CC[C@@H](CSc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 504777940 HCNHSVSTIHITBR-GHTZIAJQSA-N 441.553 4.195 5 20 IIBD CC(=O)NC1(c2noc(-c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)n2)CCCCC1 504847043 RXOAVXZVCRTIQM-UHFFFAOYSA-N 427.505 4.177 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CCc3nc(-c4cc(Br)cs4)no3)n2)c1 504967894 AQTQXDAGVIOZBH-UHFFFAOYSA-N 448.258 4.304 5 20 IIBD O=C(CCn1cc([N+](=O)[O-])cn1)NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 506186018 CSAPOOVQAYDRST-UHFFFAOYSA-N 434.374 4.309 5 20 IIBD O=C(c1cccc(Cl)c1)N1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 506367823 FSDPEFDPMWLSHQ-UHFFFAOYSA-N 442.928 4.330 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)N3CCN(Cc4c(F)cc([N+](=O)[O-])cc4F)CC3)n2)cc1 509295340 UYFKGCQPESBZDA-OAHLLOKOSA-N 443.454 4.110 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(CC(F)(F)F)C1CCC1 509372640 OLSNGODFNSVHGF-UHFFFAOYSA-N 442.175 4.065 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CCN(c2cccc(Br)c2)C1 509616619 HEOXDWPLXOQPKO-HNNXBMFYSA-N 434.334 4.372 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2ccc(OCc3nccn3C)cc2)cc1[N+](=O)[O-] 509681339 ITGUDSVVQUZEJC-UHFFFAOYSA-N 445.273 4.231 5 20 IIBD C[C@@H]1CN([C@@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c2ccccc2)CCO1 510571521 OWTVMEBZDVQDME-FOIQADDNSA-N 438.509 4.119 5 20 IIBD C[C@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(OCC(F)(F)F)cc1 516756637 XIWSDWKNMLKCNC-ZDUSSCGKSA-N 448.401 4.427 5 20 IIBD O=C(NCc1ccccc1Oc1cccc(F)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 520807411 DAPJMQBXNWRSFX-UHFFFAOYSA-N 433.399 4.037 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1nc(/C=C/c2ccccc2)cs1 522694416 JJKYKMHPFHRBCJ-MDZDMXLPSA-N 442.884 4.244 5 20 IIBD COC(=O)c1cc(NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)cc([N+](=O)[O-])c1 522865706 RCHMCFHCURRGIW-UHFFFAOYSA-N 437.383 4.025 5 20 IIBD Cc1ccc(SCC(F)(F)F)c(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c1 522940778 LOMMBKPJVIKEQK-UHFFFAOYSA-N 441.431 4.316 5 20 IIBD O=C(Nc1ncccc1OC(F)F)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 522995649 AEKIUJUCTHLJKQ-UHFFFAOYSA-N 444.181 4.336 5 20 IIBD CC[C@H]1c2ccsc2CCN1C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 523272710 BJHOKBZPLIPQJW-HKUYNNGSSA-N 427.526 4.105 5 20 IIBD CC(C)[C@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccncc2)no1 523980642 QJYFXRNKUCGRPG-DYVFJYSZSA-N 427.486 4.034 5 20 IIBD Cn1ccnc1N1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 530298184 RLHIFDUNEABWNZ-UHFFFAOYSA-N 443.573 4.009 5 20 IIBD CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 530795300 BABBLOACNPEBFK-IBGZPJMESA-N 434.500 4.187 5 20 IIBD Cc1ccc(C(=O)N2CCOCC2)cc1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 532898152 OASJYRGOYWZPNF-UHFFFAOYSA-N 438.509 4.111 5 20 IIBD COc1cc(CNCCc2c[nH]c3ncccc23)c([N+](=O)[O-])cc1OCc1ccccc1 533103486 PHHSDCDVGJRYSC-UHFFFAOYSA-N 432.480 4.391 5 20 IIBD Cc1ccc2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Br)sc2c1 534901785 CGJSTTHDFNIMQQ-UHFFFAOYSA-N 428.289 4.076 5 20 IIBD COc1cc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)ccc1NC(=O)c1cccnc1 537644886 YTZGHFDIOFQBOH-UHFFFAOYSA-N 434.452 4.428 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F 538259650 KPQRVTFHMIKRHI-UHFFFAOYSA-N 442.476 4.340 5 20 IIBD O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCC1(c2ccc(Cl)cc2Cl)CCCCC1 538815657 CXEQFDYGEFBSHN-UHFFFAOYSA-N 438.311 4.082 5 20 IIBD CC[C@@H](Sc1ccccc1)C(=O)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 542773460 ZNCNMCNWLDDDSD-HXUWFJFHSA-N 439.541 4.081 5 20 IIBD COc1cc(Cc2noc(-c3cnn(-c4ccc(F)cc4F)c3C)n2)ccc1[N+](=O)[O-] 546494709 CVRIPJHSYUEQSM-UHFFFAOYSA-N 427.367 4.017 5 20 IIBD CC(C)(C(=O)Nc1cccc(N(CC(N)=O)Cc2ccccc2)c1)c1ccccc1[N+](=O)[O-] 555866906 MLHXJGOSTNNRGX-UHFFFAOYSA-N 446.507 4.003 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1)C(C)(C)CO 555884513 CVUIGLONYUCEDX-QGZVFWFLSA-N 435.318 4.198 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 557564416 RXEYTHOJFOJQBJ-SBHAEUEKSA-N 435.505 4.363 5 20 IIBD Cc1noc(C[C@H](NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c2ccccc2)n1 560117434 YWZJKSVJMDFBKP-KRWDZBQOSA-N 445.273 4.071 5 20 IIBD C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(OC(F)F)cc1 561087173 YQPDLVHKPAXKQK-SNVBAGLBSA-N 444.232 4.248 5 20 IIBD COc1cccc(Cl)c1CNCc1cc(I)cc([N+](=O)[O-])c1 582934360 LTKCWSNKEFBLMP-UHFFFAOYSA-N 432.645 4.151 5 20 IIBD C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 583532958 YIUBATOWEUCBPO-STQMWFEESA-N 429.864 4.366 5 20 IIBD Cc1nc([N+](=O)[O-])cn1Cc1nc(C2(c3ccc(OCC(C)C)cc3)CCCC2)no1 589155572 IXKAJDKKCBILAJ-UHFFFAOYSA-N 425.489 4.426 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3ccc(-c4ccccn4)cc3)CC2)ccc1[N+](=O)[O-] 589381072 APCHJSALELFQAQ-UHFFFAOYSA-N 447.495 4.410 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(CCc2ccccc2)n1C[C@@H]1CCOC1 589678015 JNHYPELUNOOYFB-QFIPXVFZSA-N 449.555 4.423 5 20 IIBD COc1ccc(F)cc1[C@@H](C)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] 603867184 ZHDTUEUXRZIKAF-CQSZACIVSA-N 437.493 4.090 5 20 IIBD Cc1c(NC(=O)[C@@H](C)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] 604276329 KBIPBPSNAYKGQH-UTUOFQBUSA-N 427.345 4.293 5 20 IIBD CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 604431063 NINGQKMQZBQCKB-FQEVSTJZSA-N 440.496 4.193 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N(CCc1ccccc1)Cc1ccncc1 608887063 MPNCCOLZNNMWKY-UHFFFAOYSA-N 431.901 4.077 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCCCN3C[C@H](C)O[C@H](C)C3)c([N+](=O)[O-])c2)cc1 608972417 IPPNRHBPVGBSGW-HDICACEKSA-N 426.517 4.067 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@H]2OCCc3ccccc32)cc1[N+](=O)[O-])c1ccccn1 609580590 FGYNCTSNNGAUHF-QMHKHESXSA-N 432.480 4.207 5 20 IIBD Cc1ccc(F)cc1NC(=O)[C@@H](C)SCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 609770573 BMKHLYJCLRTHAB-CYBMUJFWSA-N 433.461 4.101 5 20 IIBD CCc1noc2ncc(C(=O)Nc3cc(-c4ccco4)nn3-c3cccc([N+](=O)[O-])c3)cc12 609816747 GIIFODMFNXTWAX-UHFFFAOYSA-N 444.407 4.391 5 20 IIBD CC(C)(C(=O)N1CCO[C@H](c2cccc(Br)c2)C1)c1ccc([N+](=O)[O-])cc1 610062652 OETZDTIJDGSNGX-SFHVURJKSA-N 433.302 4.235 5 20 IIBD Cc1ccc(NC(=O)COc2c([N+](=O)[O-])cnc3ccc(Br)cc23)cc1F 612660762 UNUGHUJYAKLWNG-UHFFFAOYSA-N 434.221 4.371 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)CCc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 725978331 LWVXAHYZVZMZGE-LLVKDONJSA-N 441.267 4.413 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)c2cnc3ccccc3c2)cc1OC 726331521 CEKBLFUFDVZMJV-CQSZACIVSA-N 426.425 4.095 5 20 IIBD O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cn1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 726529886 PKYWHKRBRQHHKR-UHFFFAOYSA-N 441.787 4.056 5 20 IIBD CC(C)(C)c1noc(-c2ccccc2C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1 726843316 AGPOZUYDWVGQED-UHFFFAOYSA-N 449.423 4.349 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ncc(Cc3ccccc3F)s2)ccc1Cl 727250943 MVBINKUBHOALIB-UHFFFAOYSA-N 427.866 4.235 5 20 IIBD COC(=O)c1cc(C(=O)Oc2cccc(C(=O)Nc3ccc(C)cc3)c2)cc([N+](=O)[O-])c1 727328506 PLVYYWHUVYWTKO-UHFFFAOYSA-N 434.404 4.161 5 20 IIBD Cc1ccccc1-c1nc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cs1 727560258 DIFJKQHSJCROFO-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD O=C(Cc1csc(NC(=O)c2ccccc2F)n1)Nc1ccc([N+](=O)[O-])c(Cl)c1 727710323 PDVGSFIQRBTEBA-UHFFFAOYSA-N 434.836 4.277 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl 730958407 ROTLTBDGHRVXCV-UHFFFAOYSA-N 428.182 4.369 5 20 IIBD COc1ccc(CSCC(=O)N[C@H](C)c2nc3ccc(Cl)cc3[nH]2)cc1[N+](=O)[O-] 732540521 FSSWUGXNRNHCDE-LLVKDONJSA-N 434.905 4.244 5 20 IIBD C[C@H](OC(=O)[C@@H](C)Oc1ccc(F)cc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 733562902 GEEDJOVCADDUDG-VHSXEESVSA-N 445.230 4.378 5 20 IIBD Cc1c(C(=O)Oc2cccc(NC(=O)c3cccs3)c2)nnn1-c1cccc([N+](=O)[O-])c1 734115853 BILSWRRXBCVUAG-UHFFFAOYSA-N 449.448 4.017 5 20 IIBD O=C(c1cc(-c2ccco2)nc2ccccc12)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 735822082 OIZGKQILTYCHPO-OAHLLOKOSA-N 429.436 4.125 5 20 IIBD COc1cc(N2CCC(OC(=O)c3oc(Br)cc3C)CC2)ccc1[N+](=O)[O-] 739382271 XCLVEZBGPOVHNU-UHFFFAOYSA-N 439.262 4.093 5 20 IIBD O=C(CSc1n[nH]c(-c2cc(F)cc(F)c2)n1)Nc1cc(Cl)ccc1[N+](=O)[O-] 741857327 YMOLOSCZOWVBRF-UHFFFAOYSA-N 425.804 4.042 5 20 IIBD CCN(CC1CCN(c2ccccn2)CC1)Cn1c(=S)oc2ccc([N+](=O)[O-])cc21 743403357 ZOTQHSNPHZVSTG-UHFFFAOYSA-N 427.530 4.463 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 743457521 PRZRTTCSJUWTAX-UHFFFAOYSA-N 427.269 4.387 5 20 IIBD Cc1ccc(SCCOC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1C 744590094 RBTUHVSQAORDII-UHFFFAOYSA-N 430.482 4.235 5 20 IIBD C[C@H](OC(=O)[C@H](C)Oc1cccc(Cl)c1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 744740912 MXONMUXMYKNZAA-QWRGUYRKSA-N 427.240 4.239 5 20 IIBD O=C(COC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 745240572 JCTWIZSHAMGZMJ-NEPJUHHUSA-N 444.312 4.177 5 20 IIBD O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)c1cccc(Cl)c1[N+](=O)[O-] 749938727 JSCIHXOABHIIOG-UHFFFAOYSA-N 433.855 4.426 5 20 IIBD Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F 751690728 PXYZXRAYSDKPGC-LLVKDONJSA-N 439.237 4.297 5 20 IIBD Cc1cc(C(=O)COC(=O)c2c(F)ccc([N+](=O)[O-])c2F)c(C)n1Cc1ccccc1 752557566 AYACCJAUUMARBJ-UHFFFAOYSA-N 428.391 4.379 5 20 IIBD C[C@H](Sc1ccccn1)C(=O)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 754222971 CZXCGZHYARWQJW-WMZOPIPTSA-N 443.525 4.099 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)O[C@H](C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 762754614 JTMMIUQXVWTXQG-CYBMUJFWSA-N 445.493 4.435 5 20 IIBD CCN(C(=O)COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1nc2ccccc2s1 762981960 XJBCKQWDFJUPGM-UHFFFAOYSA-N 445.472 4.218 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1ccc(Cl)c(Cl)c1 763744842 PMQCXYDGXBLZEN-UHFFFAOYSA-N 430.265 4.026 5 20 IIBD CCN(CCc1ccccn1)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 764316162 UHIIYOQYMXELAT-HNNXBMFYSA-N 425.514 4.005 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc([N+](=O)[O-])c1 767197312 YMOOYWHAWSRBJD-CQSZACIVSA-N 436.386 4.420 5 20 IIBD O=C(CCC(=O)N1CCN([C@H]2CCOC2)CC1)c1ccc2ccc3cccc4ccc1c2c34 771559436 KIXXSFWJMAXMCI-QFIPXVFZSA-N 440.543 4.480 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 771609265 ZBJVEGCTPVVORD-UHFFFAOYSA-N 431.232 4.027 5 20 IIBD C[C@H](OC(=O)c1cnc(Cc2ccccc2F)s1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 772820935 ZKXDENZQYUQLOB-NSHDSACASA-N 447.419 4.104 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2sc(Br)cc2[N+](=O)[O-])c(C)c1 773598922 PMJKDJCFSPEUCF-SNVBAGLBSA-N 427.276 4.220 5 20 IIBD C[C@@H](OC(=O)c1sc(Br)cc1[N+](=O)[O-])c1nc(Cc2ccccc2)no1 773603598 GEBMSGDBXXETEX-SECBINFHSA-N 438.259 4.311 5 20 IIBD Cc1nnc(COC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)n1C1CC1 774887287 FEARWFZAJMXLOQ-UHFFFAOYSA-N 441.875 4.452 5 20 IIBD CCOc1ccc(N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1Br 777638496 UJIAYYPTZKCOPS-LLVKDONJSA-N 438.278 4.204 5 20 IIBD CC[C@@H]1C[C@@H](OC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCO1 779288766 KFKWJDDAMFIUHP-CVEARBPZSA-N 430.423 4.331 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(C(=O)Oc2ccccc2)CC1 780460132 BBHAPDRFCWBJDX-UHFFFAOYSA-N 443.525 4.444 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 782379433 OGBWGOGVJPAQGA-SFHVURJKSA-N 437.374 4.148 5 20 IIBD Cc1ccc2nc([C@@H]3CCCN(CCC(=O)Nc4cc([N+](=O)[O-])ccc4F)C3)[nH]c2c1 782524575 NDKLBXRXZXSFBX-OAHLLOKOSA-N 425.464 4.127 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N[C@@H](COc1ccccc1)c1ccccc1 783320297 MUGDCOTVXACSAW-FQEVSTJZSA-N 439.855 4.123 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 784527216 KLBUKCSLZBULBW-OAHLLOKOSA-N 437.374 4.471 5 20 IIBD CCN(C(=O)c1ccc(I)c([N+](=O)[O-])c1)c1ccc2[nH]ccc2c1 789672581 YASQSQZCRNHGOD-UHFFFAOYSA-N 435.221 4.347 5 20 IIBD CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cn1 792401103 IJRNRSUGQMXMHX-JOCHJYFZSA-N 437.500 4.196 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N(CCc2cccc(F)c2)C2CC2)cc1[N+](=O)[O-] 793050822 MSQHIQDLCNUZKN-UHFFFAOYSA-N 427.476 4.204 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)Nc1ccccc1SC(F)F 795712711 QGCVZGQJQCEDGW-UHFFFAOYSA-N 426.397 4.104 5 20 IIBD Cc1nc(C(C)C)oc1C(=O)O[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 796198341 DTDQCLIKUDVITB-GFCCVEGCSA-N 444.469 4.322 5 20 IIBD O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)Nc1cc(F)c(Br)cc1Cl 799125835 UGVNCYHITWAELS-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD O=C(OCc1cc(=O)n2ccccc2n1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 799316140 NTQXTRLWIKIMTE-UHFFFAOYSA-N 433.445 4.111 5 20 IIBD COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OS(=O)(=O)CC(C)(C)C 799745047 ZWWPENXHJCSBKQ-GOSISDBHSA-N 446.525 4.340 5 20 IIBD CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 808846634 IYORGMMZUGJMTB-AWEZNQCLSA-N 431.411 4.135 5 20 IIBD Cc1c(NC(=O)N2CCC([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cccc1[N+](=O)[O-] 810145214 VYNHJHHLQWTLJL-KRWDZBQOSA-N 432.521 4.404 5 20 IIBD O=[N+]([O-])c1cccc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)c1Cl 811831438 KPUBROZNJXSDRX-NSHDSACASA-N 447.296 4.118 5 20 IIBD Cn1cc(COC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C(F)F)n1 813313624 XXULIAYHGGIFRA-UHFFFAOYSA-N 425.335 4.120 5 20 IIBD CN(C)c1cc(F)c(C(=O)Nc2ccc(Br)c3cccnc23)cc1[N+](=O)[O-] 821676461 WIBUXNWIQVTSRS-UHFFFAOYSA-N 433.237 4.363 5 20 IIBD CC(=O)Nc1cccc(NC(=O)[C@H](OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C(C)C)c1 877029607 IMVWROMPFAELBB-GOSISDBHSA-N 433.848 4.027 5 20 IIBD COc1ccc(CSCC(=O)OCc2cc(=O)oc3cc(C)c(C)cc23)cc1[N+](=O)[O-] 914917397 KQYMBFKJMUBODT-UHFFFAOYSA-N 443.477 4.303 5 20 IIBD C[C@H](OC(=O)C(F)(F)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 915586107 UQSDFXIDNZHGHE-JTQLQIEISA-N 432.301 4.276 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 916372374 YWABNJJODGNNQA-HXUWFJFHSA-N 437.839 4.443 5 20 IIBD Nc1ccc(C(=O)N2CCCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] 917128525 DYJLPXOQOSXGNM-MRXNPFEDSA-N 437.283 4.117 5 20 IIBD O=C(NCc1cccc(OCC(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 917166929 HKKDVQRCRAKXIQ-UHFFFAOYSA-N 437.418 4.456 5 20 IIBD O=C(NC1CCN(c2cccc(F)c2)CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 1252009588 IRBNRVUOVTVIDU-UHFFFAOYSA-N 426.473 4.256 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3ccc(-c4nnco4)cc3)cc2[N+](=O)[O-])C1 1344028376 UCZAXKRENGRFBB-HZPDHXFCSA-N 435.484 4.057 5 20 IIBD COc1ccc(NC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)c([N+](=O)[O-])c1 1349908945 PBRKESSFZLMGPP-AWEZNQCLSA-N 434.493 4.047 5 20 IIBD Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)COC(C)C)cc3)CCC2)cc1[N+](=O)[O-] 1785921031 QGLWFDBYIGBCDH-UHFFFAOYSA-N 439.512 4.005 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(F)c4[N+](=O)[O-])CCC3)cc2)ccn1 1789751037 HTCLEEOPFIIQPG-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC3(F)F)CCC2)cc1 1790771114 QSIQCDDLLJYPPI-OAHLLOKOSA-N 447.413 4.445 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@@H]3F)cc2)CCC1 1791166341 CGAHJMYJDAIQSZ-RDJZCZTQSA-N 429.423 4.148 5 20 IIBD Cc1cc(CCCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCC(C)C)C3)c([N+](=O)[O-])cc1F 1793405459 SNHQXQJFQDYKSD-ACDBMABISA-N 447.551 4.439 5 20 IIBD CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1 1800528246 JJSMFVXDXGBWCT-RDGPPVDQSA-N 439.487 4.180 5 20 IIBD CC1=CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2c(F)ccc([N+](=O)[O-])c2C)CC1 1800699855 DIRROGUVIVXSSY-FJIDUMEYSA-N 429.492 4.041 5 20 IIBD CC[C@H](C(=O)N1CCCC2(CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)C1)c1ccccc1 1809005980 HRXFANVWTOZQPQ-IBGZPJMESA-N 439.512 4.226 5 20 IIBD O=C(C1CCCC1)N1CCC([C@H]2CCCCN2C(=O)Cc2cc([N+](=O)[O-])ccc2F)CC1 1824947329 ZAKYMMYNNMJOOQ-JOCHJYFZSA-N 445.535 4.086 5 20 IIBD CC(C)/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc([N+](=O)[O-])ccc2F)CC1 1824947814 KALUQEUFPZSBFG-OUZREKFBSA-N 445.535 4.108 5 20 IIBD Cc1occc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1825905027 CVLZHSZIYYNSRQ-ZEZYUPADSA-N 441.484 4.036 5 20 IIBD CC1(C)CCC(CC(=O)N2CC3(CCCN3C(=O)Cc3ccc([N+](=O)[O-])cc3F)C2)CC1 1845919371 CMINXFZWPJSBLE-UHFFFAOYSA-N 445.535 4.086 5 20 IIBD Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CCc2cccc([N+](=O)[O-])c2)c(Cl)c1 1847995618 NXMHGGRTQVJQAB-SFTDATJTSA-N 441.915 4.005 5 20 IIBD COc1ccc(C(=O)O[C@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1[N+](=O)[O-] 3442279 SZEUXKVDGOMZDC-GOSISDBHSA-N 448.475 4.378 5 20 IIBD CN(C(=O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1ccc([N+](=O)[O-])cc1 11872002 VUVWZCZDNPXOIJ-UHFFFAOYSA-N 445.810 4.065 5 20 IIBD Cc1cccc(NS(=O)(=O)c2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc2C)c1 15722389 DYRRQRQWNJVFGB-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD COc1ccc(-c2csc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)n2)cc1OC 16006499 AEVIIVAFUKLROQ-UHFFFAOYSA-N 431.495 4.466 5 20 IIBD CCOc1cc(C(=O)OCC(=O)Nc2c(Cl)cccc2Cl)c([N+](=O)[O-])cc1OC 19472884 IKYHBTXILFGLCJ-UHFFFAOYSA-N 443.239 4.104 5 20 IIBD C[C@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)N(C)Cc1c(F)cccc1Cl 22795348 ZXVZTZHMHRLNDG-JTQLQIEISA-N 429.231 4.245 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2C)cc1OC 27402258 LBZJFNLFIZQNIH-GFCCVEGCSA-N 436.848 4.148 5 20 IIBD CSc1ccc(-c2csc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)n2)cc1 29300887 KXBZENPQMBEWND-UHFFFAOYSA-N 429.479 4.464 5 20 IIBD C[C@H](Nc1cccc(CN2CCCCC2=O)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 109616856 KFBVFGLSVFSGGF-AWEZNQCLSA-N 430.892 4.200 5 20 IIBD COc1cc(CNC[C@@H]2CCCO[C@H]2C(C)(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F 237245261 ZERLYPDWNYLODA-SCLBCKFNSA-N 434.455 4.475 5 20 IIBD CSCC[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1nnc2ccccn12 237299139 WQOGUEOYIVZAOU-QGZVFWFLSA-N 440.554 4.345 5 20 IIBD O=c1c(Cl)c(NC[C@H](O)c2cc3ccccc3s2)cnn1-c1ccc([N+](=O)[O-])cc1 301632777 URWPBSTUWSKTLJ-INIZCTEOSA-N 442.884 4.154 5 20 IIBD Cc1cc(N2CCCN(c3nnc(C(F)(F)F)s3)CC2)c2cc([N+](=O)[O-])ccc2n1 302618237 DPBWZVSYKNWTNX-UHFFFAOYSA-N 438.435 4.038 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NC2CCN(C(C)(C)C)CC2)cc1[N+](=O)[O-])c1ccccn1 302988256 KUFCPNHBRFKCAT-MRXNPFEDSA-N 425.533 4.156 5 20 IIBD C[C@H](NC1(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCCC1)c1ccccc1 303326168 BRZPGSOHXXZQCS-SFHVURJKSA-N 433.512 4.174 5 20 IIBD O=C(NCC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1)c1c(Cl)cccc1[N+](=O)[O-] 303663697 IAPYEEXQVFAESC-GOSISDBHSA-N 440.887 4.213 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc3c(c2)N(C(N)=O)CC3)cc1 428028437 TZYYRWHEIPUIDH-UHFFFAOYSA-N 448.435 4.089 5 20 IIBD C[C@@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H](c2cccc(C(F)(F)F)c2)O1 428936887 SKCTXVQCMPOVFB-BFUOFWGJSA-N 438.402 4.442 5 20 IIBD O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCCN1C(=O)c1ccc(O)c([N+](=O)[O-])c1 436959802 IAJQRDCWZSGUJU-OAHLLOKOSA-N 438.267 4.241 5 20 IIBD O=C(CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1cc(Cl)ccc1Cl 437283260 FMSPYUMZJAKHJZ-UHFFFAOYSA-N 436.173 4.289 5 20 IIBD COCCCOC1CCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 438488089 BUQHEVMJLNRKLA-UHFFFAOYSA-N 429.473 4.437 5 20 IIBD CO[C@H](C)c1nc(CNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])cs1 439610141 KDKLBCSVPKHWEY-CYBMUJFWSA-N 448.526 4.172 5 20 IIBD CC[C@@H](CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Oc1cccc(Cl)c1 440630612 YRMQAHOFVNFFEG-KRWDZBQOSA-N 428.876 4.236 5 20 IIBD C[C@@H](O)CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)Cc1ccc(Cl)cc1 441263960 ZWGYSNVIWJREHM-ZIAGYGMSSA-N 440.327 4.154 5 20 IIBD CCCN(C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1C)c1cccc([N+](=O)[O-])c1 441441069 OSNKNKOVQXWCHE-UHFFFAOYSA-N 433.530 4.037 5 20 IIBD Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 443797921 FHCBRCKGTACLGV-CQSZACIVSA-N 446.301 4.157 5 20 IIBD C[C@H]1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCN1Cc1ccccc1 444119481 RGGXTKZNZOGEOY-IBGZPJMESA-N 425.532 4.418 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CCSc2ccc(F)cc21 445753977 WCOJYAHJOQCHPX-HNNXBMFYSA-N 425.279 4.392 5 20 IIBD COc1cc(Cc2noc(CCCc3nc4ccccc4s3)n2)c([N+](=O)[O-])c(OC)c1 445817470 GERRGEVUKUJKKF-UHFFFAOYSA-N 440.481 4.371 5 20 IIBD Cc1ccc(-c2nnc(N(C)CCc3ccccc3[N+](=O)[O-])n2C[C@H]2CCCO2)s1 461174186 LPIQHQIPNSNVQR-QGZVFWFLSA-N 427.530 4.081 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CC=C(C(F)(F)F)CC3)n2C[C@@H]2CCCCO2)c1 461879432 TZFKNLHHSDBGEF-KRWDZBQOSA-N 437.422 4.121 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CSC[C@H]1C(=O)Nc1cccc(C)c1C 462491793 PHIJYEVDTXOWNO-NQIIRXRSSA-N 441.553 4.321 5 20 IIBD CC(C)CCOC1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 462511563 NYRZUUZDZADAOE-UHFFFAOYSA-N 425.334 4.117 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(OCc2ccccc2OC)CC1 462620652 OXVVCCHKAYDWRL-IBGZPJMESA-N 426.513 4.380 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(Oc3cccc(NS(=O)(=O)c4ccccc4)c3)cc2N1 462861356 IRXRILCRSCDUKO-UHFFFAOYSA-N 439.449 4.073 5 20 IIBD COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464771270 CPPLEJZAOJNPJA-AWEZNQCLSA-N 433.892 4.127 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2cccc(Cl)c2n1C 466296069 GUTBZMLKIPSHGV-UHFFFAOYSA-N 448.888 4.042 5 20 IIBD O=C(Nc1cncc2nncn12)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 466422120 JPJOTABVPRZDHN-UHFFFAOYSA-N 426.845 4.089 5 20 IIBD CNc1c(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)cccc1[N+](=O)[O-] 467755613 BZUJJTHVTHOABU-UHFFFAOYSA-N 437.481 4.205 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCCc2c([nH]c3c(F)cccc23)C1 467795542 CICZIYXJAXDRLZ-UHFFFAOYSA-N 446.276 4.495 5 20 IIBD Cc1ccc(NC(=O)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1OCCC(C)C 467841652 AOUMZCSLHLQBPJ-UHFFFAOYSA-N 433.892 4.236 5 20 IIBD COc1cc(S(=O)(=O)Nc2cc(Cl)ccc2N2CCCCC2)ccc1[N+](=O)[O-] 468786418 BHZVSQSKZWTVJN-UHFFFAOYSA-N 425.894 4.048 5 20 IIBD CC(C)c1[nH]nc(C(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)c1[N+](=O)[O-] 468819134 CLSYJEIDNSTZRL-ZDUSSCGKSA-N 425.258 4.320 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)c1C 471500456 MCGOXCUBGJENBG-UHFFFAOYSA-N 432.527 4.190 5 20 IIBD O=C(NCCc1cccc(-c2ccccc2)c1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 472197024 MZPXFTZODBTGBP-HXUWFJFHSA-N 449.532 4.287 5 20 IIBD C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 474658512 ROYBUCNSACNWAW-SSUCQYSQSA-N 444.431 4.107 5 20 IIBD COc1cccc(C2=CCN(C(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)CC2)c1 476154911 MSILCXYWWBUZCU-UHFFFAOYSA-N 446.507 4.395 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OCc2ccccn2)c(F)c1 476413626 LEFBSPGXPPKBGV-UHFFFAOYSA-N 431.445 4.071 5 20 IIBD CC12CC3(C)CC(C)(C1)CC(C(=O)N1CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC1)(C2)C3 476758510 JNTOCGQWSLIKAS-UHFFFAOYSA-N 439.556 4.266 5 20 IIBD COC(=O)c1cc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)oc1C 478309017 FOTQTLNCWSBHJE-UHFFFAOYSA-N 437.452 4.167 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(Cl)cc2Br)cc([N+](=O)[O-])c1 478943027 GWCVASKWPHLEAJ-UHFFFAOYSA-N 427.638 4.440 5 20 IIBD COCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1cc(C)c([N+](=O)[O-])cc1F 479183375 IOVXYQZBSAPESZ-UHFFFAOYSA-N 446.353 4.104 5 20 IIBD Cc1cccc(NC(=O)N2CCC[C@H](C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])C2)c1 479371376 GJLVCQNXVGKNAO-KRWDZBQOSA-N 444.919 4.159 5 20 IIBD COc1ccccc1-c1nc(C2CCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)no1 481192216 PCIDAJAJLLAWRW-UHFFFAOYSA-N 442.859 4.327 5 20 IIBD COC(=O)c1csc(-c2cccc(CNC(=O)c3ccc(SC)c([N+](=O)[O-])c3)c2)n1 481636373 AYVXDRZXNRIFBY-UHFFFAOYSA-N 443.506 4.157 5 20 IIBD CC[C@@H](CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Oc1ccccc1Cl 482635132 UHLDGBMEUULPDP-INIZCTEOSA-N 428.876 4.236 5 20 IIBD COc1ccc(Br)cc1CNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] 483528757 MZYIDUGCFDTUQM-UHFFFAOYSA-N 441.303 4.026 5 20 IIBD Cc1ccc([C@H](C)NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)cc1[N+](=O)[O-] 483630856 AKEPVAXDXYTJQT-INIZCTEOSA-N 437.587 4.033 5 20 IIBD CC[C@@H](C(=O)N1CCC(Nc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1)c1ccccc1 485826039 HPXFKYRSUSJPME-HXUWFJFHSA-N 435.484 4.242 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCN(c2cccc(F)c2F)CC1 489234550 SQNFGAJKXYWJSD-UHFFFAOYSA-N 437.421 4.061 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CN[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 491029681 JRKMQHHEWLXBNZ-QFIPXVFZSA-N 444.484 4.025 5 20 IIBD CC(=O)N(C)C1CCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 491935942 DAMMCDIRQWLATF-UHFFFAOYSA-N 427.526 4.137 5 20 IIBD COc1cc(CN[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])cc1OC(F)F 493926281 OBTVJBFDVXFLIM-RDTXWAMCSA-N 430.354 4.103 5 20 IIBD CCCCOC1CCN([C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 494922623 XWHSNERCCAPLOV-OAHLLOKOSA-N 432.546 4.326 5 20 IIBD CC(C)CNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1Cl 498168442 DDZOBIXWSOGXBB-UHFFFAOYSA-N 426.860 4.435 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)N(Cc3ccccc3)C[C@@H]2C)cc1SC 500418745 AAFSMKJBKNSEAP-HOTGVXAUSA-N 429.542 4.060 5 20 IIBD CCCCOc1ccc([C@H](C)NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1OC 501452429 KUDJLZKCBCUAKU-INIZCTEOSA-N 438.484 4.459 5 20 IIBD CCOc1cc(NC(=O)Nc2cccc(NC(=O)[C@H](C)OC)c2)c([N+](=O)[O-])cc1OCC 502312976 ABUXTNTXWLZILI-ZDUSSCGKSA-N 446.460 4.010 5 20 IIBD COc1cc(CSc2nnc(C3CC3)n2C2CC2)c([N+](=O)[O-])cc1OCC(F)F 502861931 MRNHSIIHYBGMAJ-UHFFFAOYSA-N 426.445 4.343 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(N[C@H](c2ccccc2)c2nccs2)c([N+](=O)[O-])c1 505571231 WRYOSHSLUDQIRE-LJQANCHMSA-N 446.554 4.283 5 20 IIBD CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 509398245 BVHYMMVFCASSMU-FPOVZHCZSA-N 447.322 4.392 5 20 IIBD COc1ccc([C@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c2ccc(F)cc2)cc1 512169567 YFCPLYHKJFRIHQ-HSZRJFAPSA-N 446.438 4.448 5 20 IIBD Cc1cccc(C(C)C)c1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 512375660 WFOBUPYEHSUOEJ-KRWDZBQOSA-N 445.541 4.066 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)N[C@H]1CC[C@H](O)CC1 512424702 SNTYZACTDPCELM-CTYIDZIISA-N 437.855 4.282 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCc3ccc(Cn4ccnc4)cc3)cc2[N+](=O)[O-])C1 513784739 XVLMBEIPCHDJTH-OALUTQOASA-N 447.539 4.252 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3cccc(CSCC(=O)O)c3)cc2[N+](=O)[O-])CC1 514851675 DSBRIFPDNBLPDC-UHFFFAOYSA-N 443.525 4.401 5 20 IIBD O=[N+]([O-])c1cc(I)ccc1NCc1ccc(N2CCCCC2)nc1 515551737 UTFDVVRSXPLVBK-UHFFFAOYSA-N 438.269 4.197 5 20 IIBD C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OCc2cccnc2)cc1 516341924 GAQASUOUMBVDRF-CQSZACIVSA-N 447.900 4.262 5 20 IIBD CCN(C[C@@H]1CCCO1)c1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] 519966073 ZMAABCCEOWXDKI-KRWDZBQOSA-N 433.530 4.018 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)N1CC[C@@H](N2CCCCC2)C1 521695637 AWKPCURDEMVACT-DENIHFKCSA-N 442.947 4.488 5 20 IIBD Cc1ccc([C@@H]2CSCCN2C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 522541203 YDCNSAZYDYBTRZ-QFIPXVFZSA-N 425.554 4.436 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCc2ccc3c(c2)CCO3)cc1[N+](=O)[O-] 523019754 WQORDPFNCKEELM-UHFFFAOYSA-N 448.500 4.413 5 20 IIBD COc1ccc(CC(=O)Nc2cc(C(=O)N3CCCCC3)ccc2Cl)cc1[N+](=O)[O-] 524312952 SNZMONBQTYYGIL-UHFFFAOYSA-N 431.876 4.064 5 20 IIBD Cc1ccccc1-n1nc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)c2c1CCC2 524685431 AFGBIKFHOZQRBA-UHFFFAOYSA-N 428.452 4.016 5 20 IIBD COc1cc(CCNC(=O)C[C@@H](C)c2ccccc2C(F)(F)F)c([N+](=O)[O-])cc1OC 525585260 DVZFVJOTUGYDJE-CYBMUJFWSA-N 440.418 4.483 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)c1 525631095 RFKUXSDORNHZFX-UHFFFAOYSA-N 431.514 4.109 5 20 IIBD C[C@@H](Oc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1)c1ccccc1 530467368 RWKFRKHMSYFYDX-GOSISDBHSA-N 432.480 4.092 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N[C@@H]3CCN(c4ncccc4F)C3)c([N+](=O)[O-])c2)cc1 531777898 KBXKSPBRVQGUOW-GOSISDBHSA-N 435.459 4.380 5 20 IIBD O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cc(Cl)ccc3OCc3cccnc3)C2)nc1 533380273 NMGZGFIBODPCNB-IBGZPJMESA-N 439.903 4.304 5 20 IIBD O=C(CC[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Nc1cccc(Cl)c1 535510438 KOHJWENEHONCJD-GDLZYMKVSA-N 433.873 4.181 5 20 IIBD CCCN1C(=O)CCc2cc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)ccc21 538052006 NPQVNFPTSGOKKP-UHFFFAOYSA-N 432.274 4.299 5 20 IIBD CNC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)cc1 541585310 CCBMJMBNKMRTSH-UHFFFAOYSA-N 427.526 4.167 5 20 IIBD C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1ccccc1C(F)(F)F 544453452 BQBHQQTZNYYZSV-KGLIPLIRSA-N 430.448 4.169 5 20 IIBD CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cc1Cl 544640476 SZNKUHGUWPIKFZ-UHFFFAOYSA-N 439.921 4.148 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(-c3nc(-c4cccc(OCC(F)F)n4)no3)cs2)c1 546550578 KUXXXEPKNFNIAZ-UHFFFAOYSA-N 431.380 4.474 5 20 IIBD COc1cc(CNc2ccc3c(c2)OCC(=O)N3C)c([N+](=O)[O-])cc1OCc1ccccc1 547375379 DLKUAIDVYROZCX-UHFFFAOYSA-N 449.463 4.150 5 20 IIBD CCN(Cc1ccccc1Br)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 547377964 YPULOPWVGZFZMX-UHFFFAOYSA-N 429.274 4.205 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCc2cc(Cl)cc(Br)c21 549268165 RFRYDWUBCDVJEU-UHFFFAOYSA-N 447.676 4.399 5 20 IIBD COc1ccc(CNCc2ncn(-c3ccccc3)n2)cc1OCc1ccc([N+](=O)[O-])cc1 550322488 FOEWTWCABHTGDD-UHFFFAOYSA-N 445.479 4.053 5 20 IIBD COc1ccccc1O[C@@H]1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 552730190 YBGAOIAMQDHGTK-QGZVFWFLSA-N 439.493 4.411 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 554409835 SMNOHZAAXCEADE-SOLBZPMBSA-N 433.411 4.233 5 20 IIBD C[C@@H](Oc1ccccc1NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccccc1 554651877 ZXSVPYCDIZRGCN-QGZVFWFLSA-N 448.479 4.173 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(Cc1cn(-c3ccccc3)nc1-c1ccncc1)CCO2 560364710 FGAGRVRSNMZFSG-UHFFFAOYSA-N 427.464 4.237 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nnc(-c3cc4c(s3)CCCC4)o2)c1 562487140 DWYMUPGLONTLKN-UHFFFAOYSA-N 434.499 4.003 5 20 IIBD CS(=O)(=O)c1cc(C(=O)N[C@H](c2c(Cl)cccc2Cl)C2CC2)cc([N+](=O)[O-])c1 563847513 OLAWXLYRAKLKPS-KRWDZBQOSA-N 443.308 4.186 5 20 IIBD COc1cc(Cc2noc(-c3ccncc3Oc3ccccc3)n2)c([N+](=O)[O-])c(OC)c1 564278932 CGBBMCXFQPWPSB-UHFFFAOYSA-N 434.408 4.440 5 20 IIBD C[C@H](C(=O)Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 570116955 KBEZVOAHMSNUBQ-ZDUSSCGKSA-N 434.374 4.480 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC(Cc1ccccc1)Cc1ccccc1 571368741 OOVJIIVYTJVACC-UHFFFAOYSA-N 431.492 4.066 5 20 IIBD Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cnn1-c1ccc(Cl)cc1 578094602 FGXFJEFWOFIAFD-UHFFFAOYSA-N 427.269 4.197 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)cc1SC 579636977 ITBREOGMYWBTQP-QGZVFWFLSA-N 435.571 4.080 5 20 IIBD O=C(NC[C@@H](CO)c1ccccc1Cl)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 582925714 WRVHRPVIWLUHGP-KRWDZBQOSA-N 440.883 4.333 5 20 IIBD O=C(N[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 587520612 ABVVNWBFWAFFGD-MRXNPFEDSA-N 446.573 4.040 5 20 IIBD O=C(Nc1cc2n(n1)CCCC2)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 588059504 MKLIUVZRQZMFHI-UHFFFAOYSA-N 425.876 4.645 5 20 IIBD COc1ccc(NC(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)cc2)c([N+](=O)[O-])c1 603750323 BGOOWJGJCBWTBX-UHFFFAOYSA-N 440.477 4.138 5 20 IIBD CCOc1cc(C(=O)Nc2nc(-c3sc(C)nc3C)cs2)c([N+](=O)[O-])cc1OC 603770041 NZMTWLQYFUEYPI-UHFFFAOYSA-N 434.499 4.451 5 20 IIBD C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1 603993463 WXUJYGPFHHQWNR-INIZCTEOSA-N 433.468 4.047 5 20 IIBD Cc1sc(NC(=O)c2nn(-c3ccccc3)c(C)cc2=O)nc1-c1cccc([N+](=O)[O-])c1 603997178 AXPXTDMCKMXYRB-UHFFFAOYSA-N 447.476 4.133 5 20 IIBD Cc1c(C(=O)N(Cc2ccccn2)c2ccc(Cl)cc2)nnn1-c1cccc([N+](=O)[O-])c1 603998327 JKDXGLRGBNGQOV-UHFFFAOYSA-N 448.870 4.379 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1C 604277105 ISOKISUDQDEHNZ-GHMZBOCLSA-N 448.385 4.399 5 20 IIBD O=C(N[C@H]1C[C@H]1c1cccc(Br)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 608810308 ZKHNLHOUVGKNJD-IRXDYDNUSA-N 430.302 4.243 5 20 IIBD COc1ccc(C(C)(C)CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 609263955 ZFKANDPSQCEWJW-CYBMUJFWSA-N 436.892 4.127 5 20 IIBD Cc1cc(Oc2ccccc2)ccc1NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 609444637 GXUWLQMZCVMARB-UHFFFAOYSA-N 426.450 4.351 5 20 IIBD CCc1ccc(-c2csc(NC(=O)[C@@H](CC)Nc3c([N+](=O)[O-])c(C)nn3C)n2)cc1 609841913 VEDZFFIVCSCTOD-OAHLLOKOSA-N 428.518 4.152 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(N3CCc4ccccc4C3)cc2)cc([N+](=O)[O-])c1 609883487 NSXRZQYYHAILTK-UHFFFAOYSA-N 431.448 4.196 5 20 IIBD CCOC(=O)c1ccnc(Nc2cccc(C[S@](=O)c3ccccc3)c2)c1[N+](=O)[O-] 609964037 SFDRJCNHTGIYDO-PMERELPUSA-N 425.466 4.218 5 20 IIBD Cc1ccc(NCCCNC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c([N+](=O)[O-])c1 610092301 JGLJECOJXOJLTF-UHFFFAOYSA-N 437.456 4.372 5 20 IIBD Cc1cccn2cc(CCNC(=O)CSc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc12 610434810 MNYLYYQPFUOHON-UHFFFAOYSA-N 438.431 4.021 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)C(=O)NCc1ccccc1 611201824 NLJKYNNYDRFDQW-HNNXBMFYSA-N 427.526 4.064 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 611531463 HXYXNRRSVCQZPT-HXUWFJFHSA-N 433.468 4.112 5 20 IIBD C[C@@H](Nc1ncnc2ccc([N+](=O)[O-])cc12)c1cc2c(cc1Br)OCCO2 611710847 ZJXSKNSCCAOXJC-SNVBAGLBSA-N 431.246 4.245 5 20 IIBD C[C@@H](C(=O)Nc1ccc(N2CCc3sccc3C2)nc1)c1ccc([N+](=O)[O-])cc1F 612449356 VMGIHENNWGPEJQ-CYBMUJFWSA-N 426.473 4.495 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])c1nnc(CCc2ccccc2)n1C[C@H]1CCCCO1 619860687 LELVWRUAHCTNOW-OAQYLSRUSA-N 435.528 4.177 5 20 IIBD COc1cc(C(=O)O[C@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)ccc1[N+](=O)[O-] 725944765 BDBDMSIQGYTZNW-KRWDZBQOSA-N 440.374 4.442 5 20 IIBD C[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccc(C(F)(F)F)cc1 728322159 MYBUNOPITMKZSI-AAEUAGOBSA-N 440.349 4.410 5 20 IIBD Cc1nc(C(=O)OCCOc2cccc([N+](=O)[O-])c2)nn1-c1c(Cl)cccc1Cl 728379635 IBRKANFGXVJLBF-UHFFFAOYSA-N 437.239 4.027 5 20 IIBD CCc1nc2ccccc2c(C(=O)O[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1C 728983452 IRGPQUSAEPXQNV-AWEZNQCLSA-N 437.452 4.206 5 20 IIBD COc1ccc2oc(C)c(C(=O)OC[C@H]3CCCN3C(=O)c3ccccc3[N+](=O)[O-])c2c1 730702628 ANXJJKOYBYXFND-OAHLLOKOSA-N 438.436 4.120 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(Cc1ccc(C(C)C)cc1)C1CC1 731598618 VAFLAWGMDLTNDW-UHFFFAOYSA-N 426.469 4.109 5 20 IIBD CCN(CC)C(=O)C1=C(C)N(CCc2cccs2)C(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 731836486 HXPSJPBAQMWGHL-FQEVSTJZSA-N 442.541 4.108 5 20 IIBD COc1ccc(CNCc2nc(-c3ccccc3)n[nH]2)cc1OCc1ccc([N+](=O)[O-])cc1 733900900 PAAAGXSGQXHTHV-UHFFFAOYSA-N 445.479 4.257 5 20 IIBD COc1ccc(C(=O)COC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1Cl 740424118 ZQCIGRHDTCTETE-UHFFFAOYSA-N 428.622 4.059 5 20 IIBD Cc1cc(-n2c(C)cc(C(=O)COc3ccc(Br)cc3[N+](=O)[O-])c2C)no1 741855809 QFVZYGXZOKEMHC-UHFFFAOYSA-N 434.246 4.323 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 742396187 LIEZXWASKDGFDA-NXEZZACHSA-N 427.301 4.119 5 20 IIBD COc1ccc(OC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cc1OC 744320990 KABUZKACPDTADS-UHFFFAOYSA-N 438.223 4.324 5 20 IIBD O=C(NCC(F)(F)F)c1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 744357247 NWCCSONRBFQKLZ-UHFFFAOYSA-N 435.280 4.158 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1F 744554745 VXEGJNQRCFABDB-OAHLLOKOSA-N 429.448 4.217 5 20 IIBD C[C@H](OC(=O)CCOc1ccccc1[N+](=O)[O-])c1nc(Cc2ccc(Cl)cc2)no1 744818654 ZIRMPJSSIDDMPJ-ZDUSSCGKSA-N 431.832 4.295 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 746322396 PENDFZIXCOKZSE-FCHUYYIVSA-N 429.492 4.354 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)c3ccc(Br)c([N+](=O)[O-])c3)cc2)C[C@@H](C)O1 747397138 XKCZXAITUCSVKJ-BETUJISGSA-N 434.290 4.223 5 20 IIBD O=C(OCC(=O)N1CCC[C@H]2CCCC[C@H]21)c1csc(-c2cccc([N+](=O)[O-])c2)n1 747962614 QSKFTWPXQNJQCP-RDTXWAMCSA-N 429.498 4.056 5 20 IIBD O=[N+]([O-])c1ccccc1OS(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 748535113 BQORSPXORINYGM-UHFFFAOYSA-N 441.284 4.249 5 20 IIBD C[C@H](OC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)c1ccc(OC(F)F)cc1 750962776 DFNMFIPANRWFBA-VIFPVBQESA-N 444.184 4.387 5 20 IIBD COC(=O)[C@H](OC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cccc(Cl)c1 750963756 IEIQYARDJDXBCO-CQSZACIVSA-N 428.622 4.082 5 20 IIBD C[C@@H](Cc1ccccc1Cl)C(=O)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 754531928 YVNYMIWBTIGXDK-LBPRGKRZSA-N 425.268 4.053 5 20 IIBD COc1cc(F)c([C@H](C)NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1OC 755022494 OGPQELBCMNFXFI-VIFPVBQESA-N 442.241 4.396 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CCC[C@H](N2CCCCC2=O)C1 755317001 JUUQGWCBMQLLDD-IBGZPJMESA-N 445.585 4.494 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 756318246 LJYCLXFEIPQAKF-IBGZPJMESA-N 427.819 4.232 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1c[nH]nc1-c1cccc(Cl)c1 756599936 AXTHNOBSFFGSPT-UHFFFAOYSA-N 425.788 4.045 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@@H](C)CSc1ccc(F)cc1 756731341 XDCVDOHGTHGBFA-STQMWFEESA-N 436.461 4.041 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(CNC(=O)c2cccs2)cc1 756991717 TYHJHUKXKPSSND-UHFFFAOYSA-N 429.885 4.170 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 757080893 PLZLXASYCUAMRJ-JOCHJYFZSA-N 448.504 4.218 5 20 IIBD CC(C)(C)Cc1nc2cc(NC(=O)C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)ccc2o1 757273814 XQMJCOOZJODRIL-UHFFFAOYSA-N 444.875 4.233 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cncc(-c2ccc(C)cc2)c1 758091378 PHGSREJGMMRTPC-HNNXBMFYSA-N 435.436 4.158 5 20 IIBD O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1cccc([N+](=O)[O-])c1Br 759056243 WWCNJMIVDISMOK-JTQLQIEISA-N 442.672 4.159 5 20 IIBD CC(C)(C)OC(=O)NC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc2ccccc2c1 761516091 DQOAXYVLHWHXQK-KRWDZBQOSA-N 425.441 4.337 5 20 IIBD O=[N+]([O-])c1ccc(F)c(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)c1 763088146 WZOCOZKMGFIJNZ-UHFFFAOYSA-N 443.172 4.316 5 20 IIBD O=C(NC1(c2noc([C@H]3CCOC3)n2)CCCCCC1)c1ccc([N+](=O)[O-])c(Cl)c1 764323977 PIJLHOQVLUTRRG-AWEZNQCLSA-N 434.880 4.115 5 20 IIBD CN(CC(F)F)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC1 764422359 ZKHFLFLABBRZNQ-UHFFFAOYSA-N 432.471 4.008 5 20 IIBD Cc1ncc2c(n1)CCC[C@@H]2Nc1nc(N[C@@H]2CCCc3nc(C)ncc32)ccc1[N+](=O)[O-] 764835351 QHBBFXXEDYGNJP-UXHICEINSA-N 446.515 4.166 5 20 IIBD COc1cc(COC(=O)[C@@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)c([N+](=O)[O-])cc1OC(F)F 766765435 BZUHMLHAUYIHEC-GHMZBOCLSA-N 447.312 4.469 5 20 IIBD Cc1ccc(Cc2nc(C(=O)OCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cs2)cc1 768651765 ONMOYFFIBZCYMO-UHFFFAOYSA-N 445.884 4.399 5 20 IIBD C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 769216579 KLQQRIPGSAKAHQ-RYUDHWBXSA-N 444.435 4.106 5 20 IIBD C[C@H](CN(C)C(=O)OC(C)(C)C)c1noc(-c2cc(Br)cc([N+](=O)[O-])c2)n1 769866081 MPAGXSLBXMUDCK-SNVBAGLBSA-N 441.282 4.378 5 20 IIBD CCc1sc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c(C(N)=O)c1C 770711549 CSCOBFFCSFFXFT-UHFFFAOYSA-N 430.530 4.115 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@H](C)[C@H](O)c2ccc(F)cc2)cc1[N+](=O)[O-])c1ccccn1 771663508 GLRNSQSSVCULLU-KIMHZCHSSA-N 438.459 4.154 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F 772334567 ZRMNNRMUVWUGDI-INIZCTEOSA-N 436.308 4.102 5 20 IIBD O=C(OCc1ccn(-c2ccccc2F)n1)c1sc(Br)cc1[N+](=O)[O-] 773606402 RVMXFRKMYPMHCM-UHFFFAOYSA-N 426.223 4.101 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 773747685 ZVUTVMMJGZBEAF-UHFFFAOYSA-N 431.533 4.383 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1cn(C)nc1-c1ccccc1 775285928 VCCAIKFVSVJMEN-UHFFFAOYSA-N 427.482 4.091 5 20 IIBD CN(C)C1CCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)CC1 775507635 DHIJUALAGBYFNE-UHFFFAOYSA-N 436.434 4.396 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccccc1[C@H](O)C(F)(F)F 777830287 XPRLVYOKRQQJJC-HNNXBMFYSA-N 433.180 4.134 5 20 IIBD O=C(COC(=O)c1cccc([N+](=O)[O-])c1Br)Nc1ccc(Cl)cc1Cl 781673450 ORJVTMLIDLYSPJ-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)OCc3nnc(-c4ccccc4)o3)cc2[N+](=O)[O-])C1 787431890 UMGGMWCOOWTWNJ-HOTGVXAUSA-N 436.468 4.484 5 20 IIBD CCOC(=O)c1cc(C(=O)OCc2ccc(Cl)nc2C(F)(F)F)cc([N+](=O)[O-])c1 787601713 VZNUUCQOPUYNKO-UHFFFAOYSA-N 432.738 4.196 5 20 IIBD Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)Cn1c2ccccc2c(=O)c2ccccc21 791974555 VJNZKDUAUUBWKE-NVQXNPDNSA-N 437.543 4.298 5 20 IIBD CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 792087559 WTGKBUKHSXKJPN-QRWLVFNGSA-N 437.449 4.020 5 20 IIBD CN(Cc1ccccc1Br)C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 792960223 VCWATRGGZOHRDK-UHFFFAOYSA-N 448.317 4.252 5 20 IIBD COc1cc(C(=O)OCc2csc(Cl)n2)c([N+](=O)[O-])cc1OCc1cscn1 793227924 HXJWHXSQWXLIPX-UHFFFAOYSA-N 441.874 4.106 5 20 IIBD COc1ccc(/C=C\c2ccnc(-c3cccc([N+](=O)[O-])c3)[n+]2[O-])c(Br)c1 794700571 QNOSCPYXPQJSCI-ALCCZGGFSA-N 428.242 4.232 5 20 IIBD CCCc1noc2nc(CC)cc(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c12 800324484 ZQDZPPICUVSQOF-UHFFFAOYSA-N 446.847 4.095 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(I)c1)c1cc(Cl)nc(Cl)c1 801698800 KHVBTSOSZYKOSH-UHFFFAOYSA-N 438.008 4.154 5 20 IIBD CN(CC(=O)OC[C@@H]1CCO[C@@H]1c1ccccc1)c1cc(Br)ccc1[N+](=O)[O-] 802766323 BLOOSQFIDPYLKK-MGPUTAFESA-N 449.301 4.115 5 20 IIBD O=C(OCc1c(F)cc([N+](=O)[O-])cc1F)c1cc(S(=O)(=O)C2CCCC2)ccc1F 803516383 FHRGFGIMJOBVEW-UHFFFAOYSA-N 443.399 4.085 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCO1 809953265 KOOKDLNTVIEOEI-ABAIWWIYSA-N 434.320 4.016 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)C1 810949400 PDKYSHPIPBGOFT-MBNRZODZSA-N 429.517 4.104 5 20 IIBD CCc1ccc(S(C)(=O)=O)cc1C(=O)OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811085007 WOFQURPPGHAABY-UHFFFAOYSA-N 432.281 4.225 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)OCc1nc2ccc(Br)cc2o1 812595034 WXFFTHQQWOSFOC-UHFFFAOYSA-N 425.622 4.438 5 20 IIBD COc1ccc([C@@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c(C)c1OC 813747503 ZFNSQWQVSYOUPG-SNVBAGLBSA-N 441.253 4.313 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2NCc1cc([N+](=O)[O-])ccc1OC(F)F 813786767 PPKHIAZVMISYMN-INIZCTEOSA-N 427.448 4.075 5 20 IIBD CCCc1nc(C)c(COC(=O)c2cc([N+](=O)[O-])cc(I)c2C)o1 814074252 OCFJFQZFDWYJQO-UHFFFAOYSA-N 444.225 4.114 5 20 IIBD N=C(CC(=O)Nc1ccccc1Cl)NOCc1ccc(Br)c([N+](=O)[O-])c1 814263231 IMWVSXUACUAJPJ-UHFFFAOYSA-N 441.669 4.038 5 20 IIBD CC(C)[C@H](c1ccccc1)S(=O)(=O)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 816112528 WSTGOXHOQJZRHX-HSZRJFAPSA-N 434.517 4.138 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)Nc1ccc(F)c(Cl)c1 823281929 YVZJSOGPMFORDL-UHFFFAOYSA-N 435.839 4.173 5 20 IIBD C/C=C\c1ccc(OC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c(OC)c1 900699335 DDVMWVIXJNWBAM-PLNGDYQASA-N 426.454 4.135 5 20 IIBD CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cc1 916072206 ZZJYWSQSLPZOFB-HNNXBMFYSA-N 427.505 4.026 5 20 IIBD CCOc1ccc(Br)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1Cl 916108265 FQOLVILAMLIKNG-UHFFFAOYSA-N 435.683 4.210 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@H](COc1ccccc1F)c1ccccc1 916419330 WVDBQAMZENUQGO-HXUWFJFHSA-N 434.427 4.020 5 20 IIBD CC[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1OCC(=O)N1CCCC1 917586864 PKRSCWSAGJUTBL-IBGZPJMESA-N 442.541 4.034 5 20 IIBD C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c1 917673566 OBFMPBRBYBKXLR-JQPKSGMCSA-N 440.475 4.199 5 20 IIBD O=C(Nc1ccc(Cl)c(C(=O)NC2CC2)c1)c1ccc(Br)c([N+](=O)[O-])c1 917720168 SZKPFNBEMXMYJY-UHFFFAOYSA-N 438.665 4.155 5 20 IIBD CN(Cc1cccc2ccccc12)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 917913717 LCMQUXVUXHENDT-UHFFFAOYSA-N 435.299 4.331 5 20 IIBD CCc1cc2oc(=O)cc(COC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)c2cc1Cl 918023674 HBZZPCIGBFLFSF-UHFFFAOYSA-N 431.784 4.003 5 20 IIBD C[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1 918399156 MCUVIZRGZUEALA-CQSZACIVSA-N 443.456 4.026 5 20 IIBD C[C@@H](OC(=O)c1cc(-c2cccc(F)c2)no1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 919192202 XJRJHYSXAUNTKE-SNVBAGLBSA-N 433.779 4.226 5 20 IIBD C[C@H](Nc1ccc(C(=O)Oc2ccc(N3CCOC3=O)cc2)cc1[N+](=O)[O-])c1ccccn1 920115851 MRKOJTHTLPSPRC-HNNXBMFYSA-N 448.435 4.339 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCc1c(F)c(F)c(F)c(F)c1F 920776687 BQKBYGOBPOOTKA-ZCFIWIBFSA-N 425.693 4.454 5 20 IIBD Cc1ccc(-n2cnnc2SCc2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1Cl 1117198924 WXHHGUZIVRVZDH-UHFFFAOYSA-N 428.861 4.480 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C)c1F)c1ccc(C(F)(F)F)cc1 1121236990 IHDRIGGIFCEGBA-OAHLLOKOSA-N 428.338 4.095 5 20 IIBD O=C(CCc1ncc(-c2ccccc2Br)o1)N1Cc2ccc([N+](=O)[O-])cc2C1 1252263157 FXMFJSRGORTPMU-UHFFFAOYSA-N 442.269 4.487 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N2CC[C@H]3OCCC[C@@H]3C2)cc1[N+](=O)[O-] 1319454365 IGUZKFKJPIJTOP-OXQOHEQNSA-N 440.521 4.189 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1ccccc1CNC(=O)OC(C)(C)C 1320508086 XIMRUWFBWHKAQI-UHFFFAOYSA-N 427.501 4.475 5 20 IIBD C[C@H](NCc1ccc([N+](=O)[O-])cc1Br)c1ccc(N2CCCNC2=O)cc1 1324011470 VFKLIODKVHGRIG-ZDUSSCGKSA-N 433.306 4.128 5 20 IIBD CC[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1N)c1ncc(-c2ccccc2)[nH]1 1327144847 IELMXHTVZBNGSB-CQSZACIVSA-N 444.289 4.211 5 20 IIBD COc1cc(-c2nnc(-c3ccccc3F)o2)c([N+](=O)[O-])cc1OCc1cscn1 1349922843 MXFBPJNHDFVQRX-UHFFFAOYSA-N 428.401 4.495 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)NC1(c2ccc(NC(=O)/C=C/C3CC3)cc2)CCC1 1786160945 OIQGOWCKMSPKOW-BJMVGYQFSA-N 435.480 4.323 5 20 IIBD Cc1ncccc1C(=O)Nc1ccc(C2(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)CCC2)cc1 1787320378 IPRIOQHJRXDIKF-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)C3)s1 1794980897 XFCKGJFNXZBSAW-MUJYYYPQSA-N 447.944 4.492 5 20 IIBD CC[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)n[nH]2)CC1 1820367353 NNEHNONSOMIKCB-MPGHIAIKSA-N 442.520 4.168 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2C2CC2)[nH]n1)c1ccc([N+](=O)[O-])[nH]1 1820368512 PJZBVADLOLNJLL-IBGZPJMESA-N 448.483 4.143 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)n[nH]1 1821163357 LUJBJLLAXHSGGG-UGSOOPFHSA-N 431.468 4.199 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@H](C)OC(=O)Cn1c2ccccc2c(=O)c2ccccc21 10723320 KVJOYUZCKCTZEN-KRWDZBQOSA-N 444.487 4.042 5 20 IIBD O=C(/C=C/c1ccc2ccccc2n1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 15033808 RLPYNBCDGLFBHG-CSKARUKUSA-N 430.386 4.403 5 20 IIBD C[C@H](OC(=O)CSc1nc2ccccc2o1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 21182395 SLXZBZWERDLALS-JTQLQIEISA-N 435.845 4.052 5 20 IIBD Cc1cc2nnc(S[C@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)n2c2ccccc12 21682349 NJXLYHUOFHKJGR-GFCCVEGCSA-N 425.445 4.358 5 20 IIBD COc1ccc(Cc2nn(CN(C)Cc3cc([N+](=O)[O-])ccc3Cl)c(=S)o2)cc1 27533312 TZMUWCKIWBDBGS-UHFFFAOYSA-N 434.905 4.456 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2nc3cc4c(cc3s2)OCCCO4)cc1OC 61441573 RNEHHOYRISVAJU-UHFFFAOYSA-N 445.453 4.025 5 20 IIBD CN(Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1CCCCC1 72006078 VPMYBVIXQKOVCT-UHFFFAOYSA-N 426.473 4.198 5 20 IIBD COc1ccc(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c(OC)c1 108782147 QCGFJXNMCQNLEW-OAHLLOKOSA-N 436.468 4.110 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1 110487192 WSZYPFNZHAPJMI-BFUOFWGJSA-N 443.912 4.334 5 20 IIBD O=C(Nc1ccn(Cc2ccncc2)n1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 116364944 MBESUCVFBJOWQJ-UHFFFAOYSA-N 428.452 4.099 5 20 IIBD CNS(=O)(=O)c1cccc([C@H](C)NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1 237401145 MMMQWXFSTUPDAB-ZDUSSCGKSA-N 449.916 4.267 5 20 IIBD O=[N+]([O-])c1cc(Br)cnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 301679508 IZKHADXKVSNJKM-INIZCTEOSA-N 426.698 4.356 5 20 IIBD Cc1cc(N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)c2cccc([N+](=O)[O-])c2n1 302025600 PXAJFOSHFWOTMI-UHFFFAOYSA-N 436.487 4.432 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2c3c(cccc13)CC2 302900084 QDZCTHYXTRVLLZ-NRFANRHFSA-N 449.532 4.337 5 20 IIBD CCS[C@H](C)c1noc(CN(C)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1 409699683 VBFSQRZTIFFYLD-LLVKDONJSA-N 433.515 4.188 5 20 IIBD COc1ccc(Cl)cc1-c1nc(SCCC(=O)Nc2ccccc2[N+](=O)[O-])n[nH]1 409864699 OWRTXNXQGAQNSI-UHFFFAOYSA-N 433.877 4.163 5 20 IIBD O=C(Nc1ccc(-c2cncnc2)cn1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 410159977 BMHFNYRXZUZUTN-UHFFFAOYSA-N 426.436 4.311 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(CCCO)Cc1cccc(Cl)c1 426278186 MDFFSJDIGVDDIC-UHFFFAOYSA-N 445.825 4.361 5 20 IIBD C[C@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)NCCn1cc([N+](=O)[O-])cn1 426976483 XOCBTSYAORMJKE-OAHLLOKOSA-N 447.948 4.349 5 20 IIBD CCN(CC)CCCNC(=O)c1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1Cl 428390913 VMDWWPNFQPDESS-UHFFFAOYSA-N 446.935 4.271 5 20 IIBD COc1ccc(CSCC(=O)N2CCCCC[C@H]2CC(=O)c2ccco2)cc1[N+](=O)[O-] 434242935 CHKMQGJZWSSXNQ-KRWDZBQOSA-N 446.525 4.474 5 20 IIBD COc1cccc(C(=O)N[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c1[N+](=O)[O-] 435570376 WTPFMWACSWRAHN-LJQANCHMSA-N 434.427 4.264 5 20 IIBD COc1ccc(-c2ccc(CNC[C@@]3(O)CCC[C@@H](C(F)(F)F)C3)o2)c([N+](=O)[O-])c1 436397910 BELQQEVPDBUVSQ-BFUOFWGJSA-N 428.407 4.437 5 20 IIBD COc1ccccc1-c1noc([C@H](C)NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 437129418 GFFKAHIGXGLFOJ-QWHCGFSZSA-N 428.470 4.011 5 20 IIBD O=C(CCC1CCCCC1)N1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 437198916 BJLUVWXTHUNZFC-UHFFFAOYSA-N 441.450 4.259 5 20 IIBD C[C@@H]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(C(F)(F)F)cc1 438171892 FOWHVRIYKKYTOQ-JLTOFOAXSA-N 449.429 4.343 5 20 IIBD CC(C)c1ccc(C(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)cc1[N+](=O)[O-] 439160221 ZNOICWQRJYTKRJ-UHFFFAOYSA-N 426.864 4.477 5 20 IIBD CC[C@H](Nc1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1[N+](=O)[O-])c1ncc[nH]1 439642418 HTPBXVSUSKPNIX-KRWDZBQOSA-N 429.502 4.096 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC=C(c2c(C)[nH]c3ccccc23)CC1 439767171 PINFIIIYQJFGNP-UHFFFAOYSA-N 448.479 4.038 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccccc1OC)C[C@H]1CCCO1 439881536 WFIKUEPRDJGMBA-GOSISDBHSA-N 429.473 4.215 5 20 IIBD COc1ccc(NC(=O)C(=O)Nc2cccc(OCc3ccccc3C)c2)cc1[N+](=O)[O-] 440327378 JCRPQUWYZJUWDV-UHFFFAOYSA-N 435.436 4.068 5 20 IIBD CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)c1 443897249 DZGNWTKOJDEMPR-UHFFFAOYSA-N 425.420 4.157 5 20 IIBD CN(C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)[C@@H]1CCCN(c2ccccc2)C1=O 444020803 LTYDSIBSBJJVTP-OAQYLSRUSA-N 443.478 4.088 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 444301348 MCYDBJWSMQFAAS-HNNXBMFYSA-N 440.425 4.374 5 20 IIBD CCO[C@@H]1C[C@@H](NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)[C@@H]1Oc1ccccc1 444338724 RJNDIXKQPWOLKB-OTPAQWSUSA-N 446.478 4.175 5 20 IIBD O=C(N=c1nc(-c2ccccc2)[nH]s1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444639674 AWPUKLDZRBFYHU-UHFFFAOYSA-N 434.427 4.152 5 20 IIBD C[C@@H](NC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)[C@H](C)c1ccccc1C(F)(F)F 445226322 UFJKVMWQEQPATH-NWDGAFQWSA-N 435.406 4.481 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(Br)c(C)c2F)cc([N+](=O)[O-])c1 447640640 SYSLRMKPPMDTDM-UHFFFAOYSA-N 425.210 4.234 5 20 IIBD CCOC(=O)c1ccnc(N2CCC[C@@H](Nc3cccc(Br)c3)C2)c1[N+](=O)[O-] 447807660 REUWMWJFDFDHQE-OAHLLOKOSA-N 449.305 4.010 5 20 IIBD COc1cc(C(=O)Nc2nc3ccccc3n2-c2ccccc2OC)c([N+](=O)[O-])cc1OC 460389241 SYKPRFSPGNJXOV-UHFFFAOYSA-N 448.435 4.212 5 20 IIBD CC(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@](CO)(c2ccccc2)C1 460575528 ADGLDDAXJLDZFI-DEOSSOPVSA-N 435.528 4.040 5 20 IIBD O=C1Nc2ccccc2[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 463555181 VKFUCENTYXUFRL-SFHVURJKSA-N 433.386 4.202 5 20 IIBD O=C(NCc1cccc(NC(=O)c2ccccc2)c1)NCc1ccc([N+](=O)[O-])cc1Cl 466576857 VQNAWNMFRNTEHL-UHFFFAOYSA-N 438.871 4.500 5 20 IIBD COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 470504692 XXONYEKVLGXWPL-OAHLLOKOSA-N 448.907 4.016 5 20 IIBD CO[C@H](C)C(=O)Nc1cccc(NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 475223675 KURICCSCEOHNSB-SNVBAGLBSA-N 426.351 4.231 5 20 IIBD COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)c2cccc([N+](=O)[O-])c2OC)c1 476322938 AJPOGFAMSKVYKB-UHFFFAOYSA-N 436.420 4.221 5 20 IIBD COc1cc(CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)ccc1OC1CCCC1 479720432 PGBDOPVHWZTTMY-UHFFFAOYSA-N 436.468 4.041 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 481892210 LDJLOMSMQOUMJB-DENIHFKCSA-N 425.554 4.200 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 482385838 MIDOUAPNYXCKOU-OAHLLOKOSA-N 449.332 4.308 5 20 IIBD CN(C)C(=O)Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c1 485290449 ZLIQSBICVPZDMZ-UHFFFAOYSA-N 447.495 4.230 5 20 IIBD CSc1cccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1[N+](=O)[O-] 485738086 YUYDBIJOSYHFFR-UHFFFAOYSA-N 449.554 4.052 5 20 IIBD COC(=O)c1cc(NC(=O)c2csc(Cc3ccccc3F)n2)c(C)c([N+](=O)[O-])c1 485952075 PCPSBDQHQGAADX-UHFFFAOYSA-N 429.429 4.129 5 20 IIBD O=C(N[C@H](c1cccc(F)c1)c1ccccn1)c1sc(Br)cc1[N+](=O)[O-] 486426303 UJRFVLDQVXRFFD-OAHLLOKOSA-N 436.262 4.472 5 20 IIBD COc1ccccc1[C@@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccccn1 486434429 LRJAWLNLPPUOTP-MRXNPFEDSA-N 448.298 4.342 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2CCC[C@H](N(C)C)C2)cc1[N+](=O)[O-] 487407522 AHRMEGGHLJSQEK-SJORKVTESA-N 441.553 4.150 5 20 IIBD CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)CC2 489523303 YMVYGORTEDNOFY-LEWJYISDSA-N 442.537 4.138 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 490143746 UIMJFTZGHGSJNJ-MRXNPFEDSA-N 439.541 4.405 5 20 IIBD Cc1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc(C)c1OCc1cccnc1 490401834 TUKCMBFIHMUPOB-UHFFFAOYSA-N 444.451 4.223 5 20 IIBD COc1cc(CNc2cccc(C(=O)N3CCCCC3)c2)c([N+](=O)[O-])cc1OCC(F)F 490426877 AOOSFTDWSKMSJS-UHFFFAOYSA-N 449.454 4.486 5 20 IIBD COc1cc([C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(F)(F)F)cc(OC)c1OC 491574320 MELWLJMLOXBJAE-INIZCTEOSA-N 448.781 4.307 5 20 IIBD COc1c(S(=O)(=O)Nc2ccc3ccoc3c2)cc(Br)c(C)c1[N+](=O)[O-] 491681203 VRRRNQPDHZEZIK-UHFFFAOYSA-N 441.259 4.221 5 20 IIBD O=C(N[C@@H](Cc1ccccc1)c1ccccc1F)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 495180414 MKTZRLHZLDUKOZ-NRFANRHFSA-N 437.475 4.261 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 498617835 SZFSBKMYSXVUNJ-UHFFFAOYSA-N 446.438 4.257 5 20 IIBD O=C(N[C@@H](c1cccc(F)c1)c1ccccn1)c1ccc(Br)cc1[N+](=O)[O-] 500118079 CGPOVIWUHLMUGV-SFHVURJKSA-N 430.233 4.411 5 20 IIBD COc1ccc(-c2cc3ncn(Cc4c(F)cc([N+](=O)[O-])cc4F)c(=O)c3s2)cc1 505494762 NVIHVDJLLCUAQT-UHFFFAOYSA-N 429.404 4.368 5 20 IIBD CCSc1ccc([C@@H](C)Nc2ccc(C(=O)N[C@@H](C)C(=O)OC)cc2[N+](=O)[O-])cc1 505604044 DBMRZZCPLRAMMI-KGLIPLIRSA-N 431.514 4.171 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(C(=O)c2ccccc2F)CC1 505775247 ALRUQZNFECAJHS-UHFFFAOYSA-N 445.516 4.271 5 20 IIBD C[C@@H]1CCCCN1C[C@H]1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 505914385 YREKQZMFTGRKNC-IAGOWNOFSA-N 428.558 4.445 5 20 IIBD CC(C)(C(=O)NCc1nc(-c2cccc(Br)c2)no1)c1ccccc1[N+](=O)[O-] 509590593 FDIXGJLOGYAJNC-UHFFFAOYSA-N 445.273 4.001 5 20 IIBD C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 510850247 CRLSSYDWASAMHZ-LBPRGKRZSA-N 432.387 4.002 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N3CCC[C@@]3(C)CCCO)c([N+](=O)[O-])c2)c(C)c1 512912781 IXYTUUVPJGWNBY-QFIPXVFZSA-N 447.557 4.144 5 20 IIBD Cc1ccccc1CN(Cc1ccccc1)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 514534842 IKVXOWPPEUUGEP-UHFFFAOYSA-N 449.532 4.323 5 20 IIBD O=C(c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)N1CCOCC12CC2 515218498 QYCNAPNTXPNFSV-UHFFFAOYSA-N 427.507 4.361 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2c(C)cnn2[C@@H]2CCCc3ccccc32)c([N+](=O)[O-])c1 516201356 FSLYYBONMMLDIN-GOSISDBHSA-N 426.498 4.135 5 20 IIBD O=C(Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 517248005 LFKLHJSZCWZHBJ-PKTZIBPZSA-N 439.512 4.132 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2nc3ccc(Cl)cc3s2)c1 517519487 FDFYKPMZZXKMTO-UHFFFAOYSA-N 448.707 4.421 5 20 IIBD Cn1ccnc1[C@H](NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C1CC1 519842292 LUSKXHPYHLZFBX-HXUWFJFHSA-N 439.903 4.475 5 20 IIBD COc1cccc(CC(=O)N2CCc3ccc(NC(=O)c4cc(F)cc([N+](=O)[O-])c4)cc32)c1 520224320 ZTMCWAFOCDOVIR-UHFFFAOYSA-N 449.438 4.127 5 20 IIBD CN(CCc1ccc(Br)cc1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 520727376 YXRFTELRBYSERB-UHFFFAOYSA-N 432.318 4.272 5 20 IIBD CNC(=O)c1cc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)ccc1Cl 521186295 IPSRJSNOGSGTHH-KBPBESRZSA-N 444.919 4.342 5 20 IIBD Cc1cc(COc2ccc(C(=O)NCc3ccc([N+](=O)[O-])cc3)cc2Br)on1 521381388 OOUJYVGXQYEVEM-UHFFFAOYSA-N 446.257 4.163 5 20 IIBD Cc1cccc(NC(=O)[C@H](C)SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c1C 522671190 ZRIRQRQBKAATPX-HNNXBMFYSA-N 429.498 4.270 5 20 IIBD Cc1ccc2nc(COc3cccc(C(=O)N4CCc5c4cccc5[N+](=O)[O-])c3)cn2c1 523132466 BBJCIFDHLJQERJ-UHFFFAOYSA-N 428.448 4.333 5 20 IIBD CC[C@H](C)[C@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 524106443 NPHLAQNOBWXBCJ-AOMKIAJQSA-N 438.528 4.287 5 20 IIBD COCC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1F 525477711 FPQDIYSWUQHANV-ZDUSSCGKSA-N 425.254 4.330 5 20 IIBD CCN([C@@H](C)c1ccc(-c2cccc(OC)c2)cc1)S(=O)(=O)c1cccnc1[N+](=O)[O-] 531851204 KJRSGHFNCBNTPJ-INIZCTEOSA-N 441.509 4.437 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1CNc1ccc(C)c(NC(=O)CN2CCCCC2)c1 532729166 VHOMGNPBOAVXTA-UHFFFAOYSA-N 426.517 4.338 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cc(Cl)ccc1C(=O)N1CCCC1 535447017 QRWKVDALGDWJPL-UHFFFAOYSA-N 426.860 4.147 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)cn2)cc1 538445497 OHKYSYGEZUZFKA-UHFFFAOYSA-N 434.452 4.179 5 20 IIBD CC[C@@H](CSc1ccccc1[N+](=O)[O-])Nc1ccc(NC(=O)[C@H](C)n2cncn2)cc1 538550837 GZZXDCKLSDUHRB-HOTGVXAUSA-N 440.529 4.369 5 20 IIBD COc1ccc(CN2CC[C@@H](CN3CCCCC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 538752762 KUUMSOUQJJQNPO-QFIPXVFZSA-N 439.556 4.490 5 20 IIBD COc1ccccc1COC1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 539905429 SFTOJUOZPIXYQA-OAHLLOKOSA-N 448.903 4.232 5 20 IIBD CCOc1cc(C(=O)Nc2cc(F)c(Br)c(F)c2)c([N+](=O)[O-])cc1OC 540454737 SXPNPFYMWJSRST-UHFFFAOYSA-N 431.189 4.295 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1 540483811 QERMABBWUURJOY-AWEZNQCLSA-N 442.337 4.337 5 20 IIBD COCCCN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 541662673 LDECHXHOQZRPOL-UHFFFAOYSA-N 435.590 4.108 5 20 IIBD CC[C@H]1CN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c2cccc(Cl)c2O1 542264996 JLPVAZJFHHOLJZ-AWEZNQCLSA-N 445.859 4.141 5 20 IIBD COc1cc(Br)ccc1CCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 542418905 OCODDIHGWYHWGB-UHFFFAOYSA-N 427.682 4.382 5 20 IIBD COC(=O)COc1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c2ccccc12 545124083 ZQHBNNYBSLSJKU-UHFFFAOYSA-N 440.427 4.355 5 20 IIBD NC(=O)c1ccc(SCc2nc(-c3cc(F)ccc3C(F)(F)F)no2)c([N+](=O)[O-])c1 546990377 AZGAYHNIURDMBZ-UHFFFAOYSA-N 442.350 4.194 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NCc2ccc(F)cc2Br)c([N+](=O)[O-])c1 548616161 CESAMKPBMHZCNJ-UHFFFAOYSA-N 433.237 4.073 5 20 IIBD CC(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCc2ccccc2C1 549684435 AWONLCDCRXNEBM-FQEVSTJZSA-N 435.446 4.426 5 20 IIBD CC[C@@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 551724432 PVODLYSVIZAESO-OAHLLOKOSA-N 440.681 4.217 5 20 IIBD COc1ccc(Cn2cc(NC(=O)c3cc([N+](=O)[O-])cc(Br)c3C)cn2)cc1 551780597 BIFUUGSJPBQWDZ-UHFFFAOYSA-N 445.273 4.171 5 20 IIBD COc1cc(C(=O)N[C@H](CC2CC2)C(=O)O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 553953800 YVXUVFMTQXPRIG-CQSZACIVSA-N 434.832 4.032 5 20 IIBD C[C@@]1(C2CC2)NC(=O)N(c2cccc(CNc3ccc([N+](=O)[O-])cc3C(F)(F)F)c2)C1=O 557671546 VNJRCJCBLHMUPY-FQEVSTJZSA-N 448.401 4.451 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1cnc(-c2ccc(Cl)cc2)s1 558530061 KQDXALSOTFBRLZ-UHFFFAOYSA-N 444.900 4.189 5 20 IIBD C[C@H](C(=O)N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1ccc([N+](=O)[O-])cc1F 561427982 IMLSPLVOHDDPKG-RNODOKPDSA-N 440.393 4.374 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC(CC(=O)N3CCCC3)CC2)cc1OC 565679517 UMSBLFIIRWEUER-GOSISDBHSA-N 447.576 4.253 5 20 IIBD CCOc1cc(C(=O)Nc2cc(C)c(Br)cc2F)c([N+](=O)[O-])cc1OC 566965807 BIMMRBZAMIOXBD-UHFFFAOYSA-N 427.226 4.464 5 20 IIBD Cc1nnc(COCc2nc(-c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3)no2)s1 567397835 ZJRRNZRLPUOBGA-UHFFFAOYSA-N 425.426 4.314 5 20 IIBD COc1ccc(CNCc2nccc(C(F)F)n2)cc1OCc1ccc([N+](=O)[O-])cc1 568677765 REJFOUBRHPRGOT-UHFFFAOYSA-N 430.411 4.200 5 20 IIBD Cc1cccc([C@@H](c2noc(-c3ccc(N4C(=O)CCC4=O)c([N+](=O)[O-])c3)n2)C(C)C)c1 570886868 NAUCSLDONJWQOB-NRFANRHFSA-N 434.452 4.395 5 20 IIBD COC(=O)c1cccc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1Cl 577326789 TVXUDQBZRWZXTQ-UHFFFAOYSA-N 445.781 4.494 5 20 IIBD CC[C@@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 577491577 SXTCOODHRHGGAW-OAHLLOKOSA-N 442.390 4.434 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 586826434 ADDFKOFWKJCSDY-BKTGTZMESA-N 449.429 4.184 5 20 IIBD CS(=O)(=O)c1ccc(NCCc2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1 603862636 UJMCPSKTFLOCMD-UHFFFAOYSA-N 426.494 4.232 5 20 IIBD COc1ccc(CC(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1[N+](=O)[O-] 609010977 NUXBNVJWZDSEKK-UHFFFAOYSA-N 429.816 4.283 5 20 IIBD COc1cccc(N2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)C2)c1 609106760 QJIQIBOCESCSPM-QGZVFWFLSA-N 433.464 4.404 5 20 IIBD CN(C)CCCOc1ccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 609331237 RMFJNRBIUJCUTF-UHFFFAOYSA-N 426.498 4.301 5 20 IIBD COc1ccc(CSCC(=O)N(Cc2ccccc2)CC2CCOCC2)cc1[N+](=O)[O-] 609507199 NIYXKALNYREAGO-UHFFFAOYSA-N 444.553 4.292 5 20 IIBD CN(C)[C@H](CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1Cl 609729632 PHBTUHMEMYYAPG-QGZVFWFLSA-N 426.300 4.090 5 20 IIBD COc1cc(C)ccc1OCC(=O)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 609817070 LTGOHIJARVJFEV-UHFFFAOYSA-N 448.435 4.375 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CCN(Cc4ccccc4)C[C@@H]3CO)s2)cc1 610137585 LIEQUOARBFSEAP-NFBKMPQASA-N 437.565 4.296 5 20 IIBD COc1ccc(C[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)C2)cc1 610204086 VEGKCAINAHUATN-HNNXBMFYSA-N 433.302 4.461 5 20 IIBD O=C(COc1ccc(Br)cc1F)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 610209781 CAVORGHLYXGTOD-KRWDZBQOSA-N 441.278 4.149 5 20 IIBD C[C@H](C(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 617714063 SLJHMQCRTBRDLY-HNNXBMFYSA-N 425.466 4.138 5 20 IIBD Cn1cnc([N+](=O)[O-])c1Sc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 619685638 VRSGAKVDORXQMD-UHFFFAOYSA-N 426.889 4.304 5 20 IIBD COc1ccc(-c2nc(COC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])cs2)c(OC)c1 725936703 HPXBEUBWEUMCJO-UHFFFAOYSA-N 436.392 4.371 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1csc(Cc2ccc(F)cc2)n1 727019940 LGJWQMRIYCCUBB-UHFFFAOYSA-N 430.413 4.005 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1SC 728462028 HDFVIDIJAOQOJW-UHFFFAOYSA-N 441.465 4.101 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 729118502 AXEILQWTHUSFHN-UHFFFAOYSA-N 440.412 4.048 5 20 IIBD C[C@H](OC(=O)Cc1coc(-c2cccs2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 730055108 KOVJOJRECHVRTQ-JTQLQIEISA-N 435.845 4.078 5 20 IIBD O=C(Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 730181653 VXIZLTVVLBGQHF-UHFFFAOYSA-N 432.820 4.035 5 20 IIBD O=C(CCCc1c[nH]c2ccccc12)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730709223 UAUUPTIAKHRUJU-GOSISDBHSA-N 435.480 4.247 5 20 IIBD O=C(NCc1ccccc1Oc1cccc(F)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 731131317 JXPDRPGBNLDUMS-UHFFFAOYSA-N 443.818 4.435 5 20 IIBD O=C(CN1CCC([C@H](O)c2ccc(Cl)cc2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] 731484313 NOJBEYKTVPHHCW-HXUWFJFHSA-N 438.311 4.286 5 20 IIBD COC(=O)Cc1cccc(OC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)c1 731553874 OUQGVKLOABJMFM-UHFFFAOYSA-N 437.404 4.330 5 20 IIBD O=C(COC(=O)[C@H]1C[C@H]1c1c(F)cccc1F)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 734923468 ZBYIBXAKNVJNKF-MNOVXSKESA-N 444.312 4.177 5 20 IIBD COc1ccc(Cl)cc1-c1cc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)n[nH]1 735332377 YCJKCJNZRDQVOE-UHFFFAOYSA-N 431.792 4.116 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](O)c2c(Cl)cccc2Cl)cc1SC 740939777 AXMFZVNMPUNBLA-ZDUSSCGKSA-N 431.297 4.096 5 20 IIBD CSc1ccc(O[C@H](C)C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 740996238 RBJKXVPUPUYGOO-VXGBXAGGSA-N 438.889 4.308 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3cccc(-n4cccn4)c3)CC2)ccc1[N+](=O)[O-] 744205233 WHDSCLKTFVDQBI-UHFFFAOYSA-N 436.468 4.005 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c(C)c1 744554519 QQGCTOMSELEQRD-QGZVFWFLSA-N 425.485 4.386 5 20 IIBD CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)OCc1cc(Cl)ccc1[N+](=O)[O-] 746066242 CUVSWWWJVSXMDC-QGZVFWFLSA-N 434.876 4.427 5 20 IIBD C[C@@H]1CS(=O)(=O)CCN1C(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34 746289599 OHSGVJOHNPZUOB-MRXNPFEDSA-N 433.529 4.192 5 20 IIBD O=C(OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)c(C(F)(F)F)c1 747116031 NAEICCBBJUTPPH-UHFFFAOYSA-N 428.750 4.013 5 20 IIBD CC(C)[C@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)N1CCCC[C@@H]1C 747957778 UGPHPCOWUPHBOY-KSSFIOAISA-N 431.514 4.301 5 20 IIBD COc1ccc(C(=O)[C@@H](C)OC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c(OC)c1 747958448 NRDCBSUHQGAYJI-GFCCVEGCSA-N 442.449 4.164 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 748943808 WTFWHVQKJWGWQG-UHFFFAOYSA-N 428.832 4.072 5 20 IIBD O=C(Nc1ccc(N2CCCC2=O)cc1)c1cc(Br)cc([N+](=O)[O-])c1Cl 749411438 WEBHSPIXYRMZGW-UHFFFAOYSA-N 438.665 4.390 5 20 IIBD COc1cccc(OCC(=O)O[C@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])c1 753470984 BICMXSMMIQWVQW-GOSISDBHSA-N 438.274 4.176 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(CNCc2ncc(Br)cc2Br)c1 753959256 FEWIGBGZHLGENZ-UHFFFAOYSA-N 435.503 4.458 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 754454748 QBCVCYGIQITKOD-INIZCTEOSA-N 444.444 4.324 5 20 IIBD COCCc1nc2cc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3Br)ccc2o1 755022611 UYYSKGWYQKGERN-UHFFFAOYSA-N 438.209 4.079 5 20 IIBD Cc1ccc(NC(=O)C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc1OCCC(C)C 757273838 YLCYFBPXJQABJF-UHFFFAOYSA-N 433.892 4.236 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[C@H](Oc2ccccc2Cl)C1 758852199 GXQUNMHLQFDFGW-NSHDSACASA-N 425.666 4.304 5 20 IIBD C[C@@H](C(=O)Nc1cnc2c(c1)C[C@H](NC(=O)OC(C)(C)C)CC2)c1cccc([N+](=O)[O-])c1 762234838 FDZNEHGSFPQUCL-RHSMWYFYSA-N 440.500 4.114 5 20 IIBD Cc1c(C(=O)N2CCC(CCN3CCCC[C@@H]3C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 763758864 HPOMLGDDQKKFHR-HNNXBMFYSA-N 432.521 4.237 5 20 IIBD O=C(CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)NC[C@H]1CCCS1(=O)=O 766361830 QGOOCZVFPZUFHP-LJQANCHMSA-N 433.529 4.240 5 20 IIBD O=C(Cc1c[nH]c2cc(Br)ccc12)O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 766397863 CPSYEHMWZFFRCT-IRXDYDNUSA-N 447.289 4.305 5 20 IIBD O=C(OCc1nc(-c2ccc(F)c(F)c2)no1)c1ccc(Br)cc1[N+](=O)[O-] 768038776 GMHJQLWLBFPALE-UHFFFAOYSA-N 440.156 4.043 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1cn(-c2ccccc2Cl)nn1 772193022 HFJGKYGYDSZFAF-UHFFFAOYSA-N 444.878 4.132 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 772235215 GQKVTEMSPUDICW-NSHDSACASA-N 428.436 4.156 5 20 IIBD O=C(N[C@H](c1ccccc1)C1CCOCC1)c1sc(Br)cc1[N+](=O)[O-] 772281462 CSEYDTCWPQWSCU-OAHLLOKOSA-N 425.304 4.317 5 20 IIBD O=C(NC1CC1)c1ccc(CN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C2CC2)cc1 774634427 INYOWYQVBWWMGO-UHFFFAOYSA-N 439.903 4.112 5 20 IIBD COCc1nnc(-c2cccc(C(=O)O[C@@H](c3cccnc3)c3ccccc3[N+](=O)[O-])c2)o1 776351627 ZOEPXEMYSRYZFC-NRFANRHFSA-N 446.419 4.133 5 20 IIBD O=C(N1CCO[C@@H](c2ccccc2Br)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 778252349 AHWABTZCSMWZHT-MRXNPFEDSA-N 441.228 4.049 5 20 IIBD O=[N+]([O-])c1ccc(CCS(=O)(=O)Oc2ccc(-c3cnc4ccccc4n3)cc2)cc1 779905652 XBDOEVURGULVFO-UHFFFAOYSA-N 435.461 4.156 5 20 IIBD CC(C)(C)CN1CCC[C@H](OC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1=O 781258226 YSYJYOKUFMQUBB-IBGZPJMESA-N 442.462 4.153 5 20 IIBD O=C(COC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)NC1(c2ccccc2)CCC1 781259195 AFHLPZPJRHSNJF-UHFFFAOYSA-N 426.472 4.034 5 20 IIBD Cc1c(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)nnn1Cc1ccc(C(F)(F)F)cc1 782151934 KNPDKEOZONZRST-UHFFFAOYSA-N 441.316 4.092 5 20 IIBD COc1cccc(CN2C(=O)N[C@@H](c3ccc([N+](=O)[O-])s3)C(C(=O)OC(C)C)=C2C)c1 782249510 LQIKACCPRURJHA-IBGZPJMESA-N 445.497 4.157 5 20 IIBD COc1ccc(-c2noc([C@@H](C)OC(=O)CCOc3cc(C)ccc3[N+](=O)[O-])n2)cc1 782806155 FUXCUNHIAITBBA-CQSZACIVSA-N 427.413 4.035 5 20 IIBD CCCc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cnn1-c1cc(F)c(OC)cc1F 783755009 HVYCDVDNCPAFLC-UHFFFAOYSA-N 434.374 4.411 5 20 IIBD Cc1ccc(NC(=O)c2nnc(COC(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)s2)cc1 784257319 MEBYQDGWUMZQJJ-UHFFFAOYSA-N 440.481 4.487 5 20 IIBD C[C@@H](OC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)C(=O)Nc1ccc2ccccc2c1 786787131 YZORQENHNXZSQX-OAHLLOKOSA-N 445.431 4.245 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c(Cl)c1 786789407 VXEYVEDSNRHTHS-ZDUSSCGKSA-N 443.843 4.054 5 20 IIBD COC[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1ccc(Cl)cc1 787657977 IZYJULWGENTZOM-CYBMUJFWSA-N 431.645 4.267 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1F 788122859 DNNTWBNCBLICHX-UHFFFAOYSA-N 427.354 4.150 5 20 IIBD C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 789166000 COFIPCXIWJVKDQ-CQSZACIVSA-N 446.891 4.150 5 20 IIBD CCCOc1cc(OC)ccc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 789214964 XXSNYALEKSTIDI-GFCCVEGCSA-N 436.848 4.230 5 20 IIBD CCOc1cc(NC(=O)N2CCC(Oc3ccc(F)nc3)CC2)c([N+](=O)[O-])cc1OCC 792217361 COPGBMOWDUGDQU-UHFFFAOYSA-N 448.451 4.002 5 20 IIBD Cc1nn(CN2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)c2ncc([N+](=O)[O-])cc12 793587688 IRCNFAWJGZUEDA-KPZWWZAWSA-N 435.406 4.086 5 20 IIBD Cc1cc(OCC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)c(Cl)cc1[N+](=O)[O-] 795244884 FNJNKVCAUABPJQ-GJZGRUSLSA-N 433.892 4.188 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)OC[C@@H](OC(C)C)c2ccccc2)ccc1[N+](=O)[O-] 795371592 PRYBXTKDKPCMNO-FCHUYYIVSA-N 440.496 4.217 5 20 IIBD Cc1ccc(N2CCOCC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 797597292 IFWZGJIICSVZNZ-UHFFFAOYSA-N 438.528 4.228 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 798057351 MVUKTUKITMNTFB-AULYBMBSSA-N 441.793 4.268 5 20 IIBD CCc1nc(C)c([C@@H](C)N(C)C(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2O)s1 798173682 YYQYFPKTVCZOOO-LLVKDONJSA-N 449.920 4.300 5 20 IIBD O=C(Nc1ccc(-c2cnco2)cc1)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O 798281017 DBDTVQFOGAIHQF-UHFFFAOYSA-N 425.788 4.047 5 20 IIBD CC[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1I)c1ccc(F)cn1 803048948 LDIMMYMJIAHOQH-AWEZNQCLSA-N 430.173 4.042 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)n1 804431637 HAYHYWXHVCZFHJ-UHFFFAOYSA-N 428.445 4.208 5 20 IIBD Cc1ccc([C@H](O)[C@@H](C)NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cc1 804493217 NFWMZEGAHODBCS-CWTRNNRKSA-N 449.294 4.248 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)c1ccc(S[C@H]2CCCCNC2=O)cc1 809049399 WBAFPXZHDOJFMY-VLIAUNLRSA-N 444.509 4.282 5 20 IIBD C[C@@H](OC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccc(SCC(=O)N(C)C)cc1 809073611 LQPFMQIIELKYHB-CYBMUJFWSA-N 427.482 4.174 5 20 IIBD CN(Cc1csc(Br)c1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F 809810350 VCYDBKLJZNAUHG-UHFFFAOYSA-N 443.703 4.032 5 20 IIBD CN([C@@H](c1ccccc1)C(F)(F)F)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F 809814946 ICUPTARKUNWGLG-AWEZNQCLSA-N 426.775 4.311 5 20 IIBD Cc1nc(CCC(=O)O[C@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)oc1-c1ccccc1 813171477 WMEVRHJVABEYSY-NRFANRHFSA-N 435.480 4.309 5 20 IIBD CCOc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 815510996 QZPADLRYAAOOHS-LLVKDONJSA-N 426.347 4.196 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N(C2CCC2)C2CCC2)cc1 817048982 LDXRJPVZTLITAZ-UHFFFAOYSA-N 444.509 4.218 5 20 IIBD O=[N+]([O-])c1c(Br)cccc1NCc1nc2cc(Br)cnc2[nH]1 820670816 VWEBRMWXGZMEAE-UHFFFAOYSA-N 427.056 4.003 5 20 IIBD Cc1sc2nc([C@@H](C)OC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)nc(O)c2c1C 849194451 NKGFHGUMXSDMLC-LLVKDONJSA-N 439.453 4.026 5 20 IIBD O=C(NCc1ccco1)c1ccccc1NCc1c(Br)cccc1[N+](=O)[O-] 863995453 VYMSXFGINGCMRW-UHFFFAOYSA-N 430.258 4.492 5 20 IIBD COc1ccc(CN(C)C(=O)[C@@H](OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C(C)C)cc1 877029753 MMEDZRFJBKPCOP-IBGZPJMESA-N 434.876 4.097 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)/C=C\c3ccccc3)cc2)cc1[N+](=O)[O-] 913461815 TZVSIKDMRCGUGR-ZSOIEALJSA-N 437.477 4.356 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(-c2nnc3n2CCCCCC3)cc1 915186878 AXRCEYKODKFAFL-UHFFFAOYSA-N 441.513 4.079 5 20 IIBD CC(C)c1noc2nc(C3CC3)cc(C(=O)O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)c12 915578349 QIABXQCQGYPUOC-LBPRGKRZSA-N 438.440 4.316 5 20 IIBD Cn1c(SCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])nnc1-c1cccc(Cl)c1 916663609 AWGVADQETXJNDG-UHFFFAOYSA-N 438.296 4.428 5 20 IIBD O=C(COC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)N[C@@H](c1ccccc1)c1cccs1 917331526 RCQPDEVJQSNKKL-NRFANRHFSA-N 435.461 4.200 5 20 IIBD O=C(NCCCNc1ncccn1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 917338734 KBCSXBUICNJMCK-UHFFFAOYSA-N 443.916 4.421 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N(C)C2CCN(C)CC2)cc1 917793324 NVFAVMUWHSOTDB-MRXNPFEDSA-N 428.558 4.245 5 20 IIBD O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 918627883 LRIHQRXYBKRCIF-JOCHJYFZSA-N 427.476 4.232 5 20 IIBD Cc1ccc(S(=O)(=O)N(C(=O)c2cccc(C)c2[N+](=O)[O-])c2ccc(O)cc2)s1 920154373 OGTJLHNAXBFQFV-UHFFFAOYSA-N 432.479 4.014 5 20 IIBD CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 920233478 CBKCLYPMZNWWJB-UHFFFAOYSA-N 438.406 4.366 5 20 IIBD CSc1ccccc1NC(=O)[C@@H](C)OC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 920778521 SRDXCLLHDYQRSI-NEPJUHHUSA-N 438.889 4.308 5 20 IIBD COc1cc(OCC(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)ccc1[N+](=O)[O-] 921006527 XEVJFYMGQHYEDI-UHFFFAOYSA-N 435.408 4.107 5 20 IIBD O=C(Nc1cccnc1)c1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 921010846 ZTDYNNLLZOETKY-UHFFFAOYSA-N 446.463 4.452 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 1115822099 LXIQGFFDMHGUNP-KRWDZBQOSA-N 433.512 4.481 5 20 IIBD CC(=O)NCc1ccc(-c2csc(NC(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)n2)cc1 1116493095 CLWRPMOJYNOVGH-UHFFFAOYSA-N 446.435 4.085 5 20 IIBD COc1ccc(NC(=O)NCc2cccc(NC(=O)c3ccc(C)cc3)c2)c([N+](=O)[O-])c1 1123334694 LNTMATAXJXOPMZ-UHFFFAOYSA-N 434.452 4.486 5 20 IIBD O=C(c1csc(Cc2ccc(Cl)cc2)n1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 1251968743 HAHQOFCGSNNARV-OAHLLOKOSA-N 443.916 4.017 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 1319542525 RRUIAHBWJLELQF-AWEZNQCLSA-N 443.301 4.182 5 20 IIBD COc1cc(Br)c(OC)c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 1320375097 DRXOBLCSDTYTNX-UHFFFAOYSA-N 435.274 4.179 5 20 IIBD Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2Br)nc(C)c1Br 1321118384 MSNMWSGEPYACLW-UHFFFAOYSA-N 429.068 4.384 5 20 IIBD C[C@H](OC(=O)[C@@H](C)OC1CCCCC1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 1321327906 AFTFRTNJVJHCNW-UONOGXRCSA-N 447.513 4.326 5 20 IIBD CC(C)(NC(=O)NCc1ccc(-n2cnc3ccccc32)nc1)c1ccc([N+](=O)[O-])cc1 1322419041 PIMOOPIOHFFKPF-UHFFFAOYSA-N 430.468 4.063 5 20 IIBD CC(C)(C)c1ccc(OCc2nnc(-c3cccc([N+](=O)[O-])c3N3CCOCC3)o2)cc1 1325761183 NIBZRPNOWBOYNK-UHFFFAOYSA-N 438.484 4.358 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N[C@@H](C(N)=O)c3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1 1337638550 WOCXBBMCEOYNQD-HXUWFJFHSA-N 438.871 4.447 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N[C@H]1CN2CCC1CC2 1347227001 LYUGDPWZQNNXTK-UHWDDTASSA-N 448.548 4.346 5 20 IIBD C[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1)c1ccc(O)cc1 1790505036 XWIBFDARZDBONC-OAHLLOKOSA-N 449.463 4.445 5 20 IIBD Cc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2sccc2Cl)C3)cc1[N+](=O)[O-] 1800138341 VAUGYQMPVUKTEB-MUJYYYPQSA-N 447.944 4.113 5 20 IIBD Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2CC4(CCC4)C2)C3)cc(Cl)cc1[N+](=O)[O-] 1800713526 NTYXPOITZOGYEU-BCDXTJNWSA-N 445.947 4.389 5 20 IIBD CC1(C(=O)N2CCCC3(CCN(C(=O)c4cccc(F)c4[N+](=O)[O-])CC3)C2)CCCC1 1804989882 RTDFLWMCJQFBIU-UHFFFAOYSA-N 431.508 4.159 5 20 IIBD O=C(CC1CCC1)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1824279633 XOLAADIRFUEIPX-FHVRUZERSA-N 429.517 4.011 5 20 IIBD CC(C)CC(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1824838055 BDQFQDIZCQMFGT-JOCHJYFZSA-N 429.561 4.193 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccccc1O 10530293 OGGLDAZCYQRACU-LJQANCHMSA-N 426.812 4.491 5 20 IIBD COc1cc(CCNC(=O)c2csc(-c3ccc(Cl)cc3)n2)c([N+](=O)[O-])cc1OC 11082073 ANYOELCIQGPKIY-UHFFFAOYSA-N 447.900 4.361 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 11466353 ONJIUYRDERWAJK-QHCPKHFHSA-N 434.448 4.378 5 20 IIBD COc1cccc([C@@H]2CCCN2C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c1 11547488 LRFNNXYJOIRJHI-QFIPXVFZSA-N 434.496 4.442 5 20 IIBD CCc1cc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)sc1C 14826799 UHSJFYHYMMFLFM-UHFFFAOYSA-N 437.524 4.069 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)c2)cc1F 15410813 FDWKCKYIBMYZHO-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD O=C(CSc1nnc(C2CC2)n1Cc1ccco1)Nc1cc([N+](=O)[O-])ccc1Cl 21460545 LFJLUCRMHGCXBM-UHFFFAOYSA-N 433.877 4.089 5 20 IIBD CCn1c(SCC(=O)NCCOc2cccc(C)c2)nc2cc3ccccc3cc2c1=O 22178674 XGIFCZFFLTXQDU-UHFFFAOYSA-N 447.560 4.165 5 20 IIBD C[C@@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)Nc1cccc([N+](=O)[O-])c1 22253159 PBKWYMBHFPGLFI-CYBMUJFWSA-N 434.477 4.114 5 20 IIBD Cc1c(NC(=O)C(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)cccc1[N+](=O)[O-] 61922732 PAGHXGIAFKABCK-NEDNOIINSA-N 441.487 4.255 5 20 IIBD C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 109209692 LOTOHKLLDSFRGG-OAHLLOKOSA-N 439.541 4.361 5 20 IIBD COc1cc(CN2Cc3ccccc3C[C@@H]2c2nnc(C)o2)c([N+](=O)[O-])cc1OC(F)F 195656304 UYRAMDDARRNYRD-QGZVFWFLSA-N 446.410 4.196 5 20 IIBD COc1cc(CNc2ccc3c(c2)CCN3C(C)=O)c([N+](=O)[O-])cc1OCC(F)(F)F 237225317 UZNOHZGGDFMKEA-UHFFFAOYSA-N 439.390 4.066 5 20 IIBD Cc1cc(N2CCC[C@H](CNC(=O)c3ccccc3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 301554556 RWQUQNBSLQPASK-GOSISDBHSA-N 431.496 4.007 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2ccc(-n3cnc4ccccc43)cc2)s1 301938604 SBVHNJCDKVWGDX-UHFFFAOYSA-N 428.495 4.011 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@H]3C[C@H](C)O[C@H](C)C3)c([N+](=O)[O-])c2)c(C)c1 301964290 NRCLKOUMADLLBT-BJWYYQGGSA-N 433.530 4.380 5 20 IIBD Cc1ccc2[nH]c([C@@H]3CCCN(c4ccc(C(=O)c5nccn5C)cc4[N+](=O)[O-])C3)nc2c1 302057805 RIIUEINEGLARGD-QGZVFWFLSA-N 444.495 4.128 5 20 IIBD O=C(Nc1ccccc1)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 302175809 OHVICNZEQWYMQQ-LJQANCHMSA-N 432.480 4.424 5 20 IIBD CCOc1cc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])cc1OC 302843299 IQRXQIYZUVONGL-UHFFFAOYSA-N 447.919 4.050 5 20 IIBD Cc1ccc(-c2ccnn2C)cc1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 410192631 QYWBHIAWMRJOLG-UHFFFAOYSA-N 444.495 4.418 5 20 IIBD Cc1ccc(Sc2ccc(CN3CCC(CS(C)(=O)=O)CC3)cc2[N+](=O)[O-])cc1 430153103 XSTACSHIYAPPPE-UHFFFAOYSA-N 434.583 4.311 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)c3ccccc32)c2ncccc12 432307582 NOPHMWJFTXMNJX-AWEZNQCLSA-N 437.399 4.388 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc([C@H](C)Nc2ccnc3c([N+](=O)[O-])cccc23)cc1 432334157 JCOZDGVDRYQTBS-HNNXBMFYSA-N 428.514 4.347 5 20 IIBD C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 435997896 DPWPZJWQDBIQGE-GASCZTMLSA-N 427.495 4.057 5 20 IIBD Cc1cc(C[C@H](C)NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)n(-c2ccccc2)n1 438042641 RMZIENXHXSPKJU-KRWDZBQOSA-N 433.512 4.394 5 20 IIBD O=C1NCCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)[C@@H]1c1cccs1 438488239 CLAURXKSGZZWMH-LJQANCHMSA-N 438.465 4.154 5 20 IIBD CC[C@H](Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-])c1ncc[nH]1 439642465 IGQPGNIXQACKGZ-INIZCTEOSA-N 429.502 4.299 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 439925471 HAPAXKYMVINJNU-GFCCVEGCSA-N 429.408 4.374 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(-c2nc(-c3ccc(OCC(F)F)cn3)no2)c1 442686075 UJYVOULADYUJIQ-UHFFFAOYSA-N 427.161 4.113 5 20 IIBD COc1ccc(CSCc2nc(-c3ccc(OCC(F)F)cn3)no2)cc1[N+](=O)[O-] 442686876 HYRSMSMFNURLIW-UHFFFAOYSA-N 438.412 4.126 5 20 IIBD C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] 442716427 QVFSDIIGJPGQJI-JKSUJKDBSA-N 427.526 4.265 5 20 IIBD CCOc1ccc([C@@H](NC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c2ccccc2)cc1 444970767 AXRACAJOSICTQX-QHCPKHFHSA-N 445.479 4.459 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 445244363 ZQJMIDMNRYHWGJ-UHFFFAOYSA-N 448.414 4.184 5 20 IIBD O=c1oc2cc([N+](=O)[O-])ccc2n1CCCc1nc(-c2ccc(Cl)cc2Cl)no1 445456629 OYEIQBSOMAOVLR-UHFFFAOYSA-N 435.223 4.492 5 20 IIBD C[C@H](c1nc(CC(=O)Nc2ccccc2Br)no1)c1ccc([N+](=O)[O-])cc1F 445485798 DKCXTKIGXCEYQW-JTQLQIEISA-N 449.236 4.212 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H](C)Oc3ccc(CCC(C)=O)cc3)n2)c1 445576254 ITPZWEXXTORODW-OAHLLOKOSA-N 425.441 4.239 5 20 IIBD O=C(Cc1noc([C@@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)n1)NCc1ccc([N+](=O)[O-])cc1 445714557 SSZSGIAHTUSUIY-IAGOWNOFSA-N 446.385 4.127 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCn3c(cc4ccc(Cl)cc43)C2)c(C)c([N+](=O)[O-])c1 446263231 VLDUTQJGFUUGGE-UHFFFAOYSA-N 442.859 4.346 5 20 IIBD Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 446856002 FRSPADJRFVXHCU-LJQANCHMSA-N 436.434 4.429 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1Oc1ccc(C(=O)Nc2cccnc2)cc1 447808398 UYGYCVZOLSEWNI-UHFFFAOYSA-N 427.800 4.474 5 20 IIBD Cc1ccc2nc(COc3ccc(C(=O)NCCc4ccccc4[N+](=O)[O-])cc3)cn2c1 461257244 RBBKBYDLVZXAHF-UHFFFAOYSA-N 430.464 4.102 5 20 IIBD CCOc1cc(C(=O)NC[C@H]2CCCO[C@@H]2c2ccc(C)cc2)c([N+](=O)[O-])cc1OC 464887446 QZFOUZNAYJFEIB-VGOFRKELSA-N 428.485 4.208 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(OCCN2CC[C@@H](C)C2)cc1 465180825 BHLUJOZMOZCHAI-CVEARBPZSA-N 447.919 4.375 5 20 IIBD C[C@H](CO[C@@H]1CCOC1)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 466438447 LRGJCRXFFWWXLH-UKRRQHHQSA-N 436.917 4.323 5 20 IIBD COc1ccc2c(c1)[C@@H](NCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-])CCO2 466456587 RKKFGDZTKWJUOP-HNNXBMFYSA-N 442.390 4.167 5 20 IIBD Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl 467225311 OWUJMHGHXYBXGP-QGZVFWFLSA-N 427.892 4.281 5 20 IIBD CN(Cc1nccs1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 470254132 IWJWABRTIJUKQC-UHFFFAOYSA-N 433.493 4.105 5 20 IIBD Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N3CC(Oc4ccc([N+](=O)[O-])cc4)C3)c12 470309949 UOJWIFWXDTWFNW-UHFFFAOYSA-N 448.410 4.149 5 20 IIBD Cc1ccc(NCCCNC(=O)N(C)Cc2nc(C(F)(F)F)cs2)c([N+](=O)[O-])c1 470881389 AKTZHUYPKLDUJA-UHFFFAOYSA-N 431.440 4.022 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@]4(CCCN(Cc5ccccc5)C4)C3)n2)cc1 477070080 RWEWUAUGXHIIMJ-DEOSSOPVSA-N 433.512 4.133 5 20 IIBD CN(C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C1c2ccccc2-c2ccccc21 477621884 NVIFHRFDUNQEEO-UHFFFAOYSA-N 435.867 4.206 5 20 IIBD COc1cc(C(=O)Nc2cccc(-n3cc(C(F)(F)F)cn3)c2)cc([N+](=O)[O-])c1OC 477909211 DHTKKCCCEPMCGJ-UHFFFAOYSA-N 436.346 4.069 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 479383992 KYXLHTMRFRUGQG-JTQLQIEISA-N 432.830 4.086 5 20 IIBD C[C@@H](NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)c1ncon1 479535487 XTMGQLFOUGPRFG-SNVBAGLBSA-N 427.467 4.230 5 20 IIBD NS(=O)(=O)c1ccc(Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)c([N+](=O)[O-])c1 480855933 XQZODKJRTBWRCE-UHFFFAOYSA-N 444.416 4.128 5 20 IIBD COc1ccc2[nH]cc(C3CCN(S(=O)(=O)c4c([N+](=O)[O-])ccc(C)c4C)CC3)c2c1 480962487 PFSVPTFDYJLBPP-UHFFFAOYSA-N 443.525 4.270 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 482055371 UVQGRJFCRPZCQY-KRWDZBQOSA-N 444.513 4.260 5 20 IIBD Cn1cc(CN2CCO[C@H](c3ccc(F)cc3Cl)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 482282846 NPPXUSKIIFBQSU-FQEVSTJZSA-N 430.867 4.361 5 20 IIBD O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 485700520 ZFHBEALHSRTTKL-UHFFFAOYSA-N 442.431 4.222 5 20 IIBD O=C(CCCCc1ccc(Br)cc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 487000480 PAWMRBZCMJHNJC-UHFFFAOYSA-N 435.322 4.130 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1[N+](=O)[O-] 488107808 NJNLIRUSWBVMRC-MRXNPFEDSA-N 439.493 4.195 5 20 IIBD CCc1cccc2c(CCNC(=O)c3cc([N+](=O)[O-])ccc3SCCOC)c[nH]c12 488319400 BLMMHIGIERCXBH-UHFFFAOYSA-N 427.526 4.350 5 20 IIBD COc1cc(CNCc2ccc(Br)cc2)c([N+](=O)[O-])cc1OCC(F)F 492070621 SUWHHJVFCYKHQW-UHFFFAOYSA-N 431.233 4.300 5 20 IIBD Cc1ccc([C@H](C)NC(=O)Nc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] 493310556 LYSSKQNTWVPYKN-KURKYZTESA-N 426.517 4.395 5 20 IIBD CCOC(=O)[C@H]1CCCc2sc(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)nc21 493345122 VXXQWOMJXGEUDX-JTQLQIEISA-N 443.403 4.305 5 20 IIBD COc1ccc(CN2CCOC[C@H]2c2c(C)nn(-c3ccccc3F)c2C)cc1[N+](=O)[O-] 501752983 OXTIUOOVVICOJO-NRFANRHFSA-N 440.475 4.119 5 20 IIBD CCOc1cccc2cc([C@H](C)Nc3ccc(C(=O)N4CCOCC4)cc3[N+](=O)[O-])oc12 501905825 ZYEBWDSAYJVJLO-HNNXBMFYSA-N 439.468 4.385 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3n2CC)cc([N+](=O)[O-])c1 506146777 VTPIDHSOWYNFCT-FQEVSTJZSA-N 436.468 4.118 5 20 IIBD O=C(Nc1ccccc1)Nc1cccc2c1CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C2 506334736 ZVSAGCVWNYEFEH-UHFFFAOYSA-N 432.436 4.143 5 20 IIBD CCOc1ccc(C(=O)Nc2cc(OC)c(OC)cc2Br)cc1[N+](=O)[O-] 509399814 DKLAIPYFSUULQW-UHFFFAOYSA-N 425.235 4.026 5 20 IIBD CCN1CCC[C@@H](CN(C)c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)[C@@H]1c1cnn(C)c1 509614037 AEEWLYHHUHIRBS-HTAPYJJXSA-N 429.565 4.415 5 20 IIBD CCC[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 510042692 RDMRVJBCFSAIIF-HXUWFJFHSA-N 425.489 4.124 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 511688094 QDSDGHQPSKITQD-CYBMUJFWSA-N 447.296 4.260 5 20 IIBD C[C@@H]1CN(C(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1O 512101294 SRNJTFGZUIRWHZ-IAQYHMDHSA-N 426.416 4.218 5 20 IIBD CCCOc1ccccc1Oc1ncccc1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 515514501 XVFAWKXEBSSSOM-UHFFFAOYSA-N 443.481 4.049 5 20 IIBD COc1cc(C(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cc2)c([N+](=O)[O-])cc1OC 516321712 OVNRMKAWIDNDPK-LLVKDONJSA-N 428.363 4.044 5 20 IIBD COc1ccc(Cc2noc([C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)c(F)c1 516813225 FWXMFDRIIGZUAL-IBGZPJMESA-N 440.431 4.002 5 20 IIBD CCCCn1c(S[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)nc2ccccc2c1=O 520224141 OQZCIPHXQJSFSP-LJQANCHMSA-N 438.509 4.002 5 20 IIBD O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 520683950 FDUCRWGTZIYEEM-UHFFFAOYSA-N 440.309 4.236 5 20 IIBD C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccc(F)cc2)cc1 521007861 BUXYDASDEHMJLA-OAHLLOKOSA-N 436.443 4.276 5 20 IIBD COc1ccc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cc1F 522937383 IRWVBJNNABBTCO-UHFFFAOYSA-N 425.203 4.487 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)N1c2ccccc2CC[C@@H]1C(=O)Nc1ccccc1 524229692 UHACJVCBQABRDD-OAQYLSRUSA-N 431.448 4.204 5 20 IIBD COc1ccc(NC(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])c(Br)c1 525344033 NJUALROANXVFCN-UHFFFAOYSA-N 437.294 4.298 5 20 IIBD CCc1cccc(Cc2cnc(NC(=O)c3cc(OC)c(OC)c([N+](=O)[O-])c3)s2)c1 525558264 DDKJVWZNPARHHW-UHFFFAOYSA-N 427.482 4.474 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCc2cc(Br)cc(F)c2C1 526036923 NFXPDROKDOTSFN-UHFFFAOYSA-N 432.249 4.105 5 20 IIBD COC(=O)[C@H]1CN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c2ccccc21 530455848 BJZAHZOZAXSANM-YJBOKZPZSA-N 446.463 4.080 5 20 IIBD O=C(CN1CCC(c2nc3cc(Cl)ccc3o2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 533353677 MPVZCODMRWURHF-UHFFFAOYSA-N 440.887 4.158 5 20 IIBD COc1ccc(Cl)cc1NC(=O)c1cc(I)cc([N+](=O)[O-])c1 534290825 JZMDMPMONYKKLW-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 534399016 SMVTXNUXYRBQNI-CSMYWGQOSA-N 430.448 4.170 5 20 IIBD Cc1c(NC(=O)C(=O)NCc2ccc(-c3ccc4c(c3)C[C@H](C)O4)cc2)cccc1[N+](=O)[O-] 535284039 LSVNWDPKFGFWAC-HNNXBMFYSA-N 445.475 4.149 5 20 IIBD Cc1cncc(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c1 535545586 MTXYKLIUYCISQK-UHFFFAOYSA-N 427.464 4.010 5 20 IIBD COc1cc(CN[C@H](C)c2n[nH]c(C(C)C)n2)ccc1OCc1ccc([N+](=O)[O-])cc1 535683803 LNHUGFZIZMCEJX-OAHLLOKOSA-N 425.489 4.275 5 20 IIBD C[C@@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(OCc2cccnc2)cc1 537024515 NMMJRLBJOGTZBX-HXOBKFHXSA-N 432.480 4.025 5 20 IIBD CCOc1cccc2cc([C@@H](C)NCCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])oc12 541659005 SGIBUVTUVAUHDV-CQSZACIVSA-N 427.457 4.428 5 20 IIBD CC[C@@H]1C[C@@H](C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)CC(=O)N1 541729799 FAVACLSOUNXUOE-ZIAGYGMSSA-N 449.866 4.101 5 20 IIBD CN(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 542759708 DWQYUMCNTIJPND-AZUAARDMSA-N 435.883 4.492 5 20 IIBD CC[C@@H](C)n1c(SC[C@H](O)COc2ccccc2[N+](=O)[O-])nnc1-c1ccccc1 543120069 HWKYMWAGZKOHKB-NVXWUHKLSA-N 428.514 4.356 5 20 IIBD C[C@@H](C(=O)NC1(c2noc([C@H]3CCOC3)n2)CCCCCC1)c1ccc([N+](=O)[O-])cc1F 543456843 DHPNDVVBBWQWEU-CABCVRRESA-N 446.479 4.090 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1CCC(CCCO)CC1 543914920 YQYRMBMKYSNSMT-NRFANRHFSA-N 431.920 4.413 5 20 IIBD CC[C@H](CC(F)(F)F)NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] 544835644 WLOSKGUZWDIGDI-SNVBAGLBSA-N 433.408 4.100 5 20 IIBD Cc1noc(-c2ccccc2)c1NC(=O)c1cc(I)cc([N+](=O)[O-])c1 545315872 VWIRRBJLQCSVHN-UHFFFAOYSA-N 449.204 4.415 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 550676913 NGEQVLWRXSLPLA-YOEHRIQHSA-N 446.345 4.449 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@H](Sc2cccc(Cl)c2)C1 554263542 JUOKZXBZSYJCOX-SFHVURJKSA-N 428.901 4.441 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N(CCO)Cc3cccc(F)c3)n2Cc2ccccc2)c1 561411630 BMAJQFXCRKDMOC-UHFFFAOYSA-N 447.470 4.040 5 20 IIBD CC(C)(C)OC(=O)CCc1cccc(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c1 565746182 SXZZXVGOLKAKNO-UHFFFAOYSA-N 441.484 4.296 5 20 IIBD O=C(N[C@H]1CCN(CC(F)(F)F)C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 573066296 XCIYDAQNCLDJOH-ZDUSSCGKSA-N 425.432 4.112 5 20 IIBD CCOc1ccc(NC(=O)CSc2nnc(C[C@@H](C)c3ccccc3)o2)c([N+](=O)[O-])c1 594639234 VGSPSPUZPFIDPY-CQSZACIVSA-N 442.497 4.454 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cnc2c(cnn2Cc2ccccc2)c1 603638221 IVTXGVRIVKYEOE-UHFFFAOYSA-N 439.378 4.242 5 20 IIBD CCOC1CCN(C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 604198415 PSPBEEIHVNYQRM-UHFFFAOYSA-N 428.510 4.189 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2nncn2Cc2ccccc2)cc1[N+](=O)[O-])c1ccccn1 609795376 QDCWZANNVDNNNJ-MRXNPFEDSA-N 443.467 4.055 5 20 IIBD Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 609836591 OCGUEBCQPTYDLE-OAHLLOKOSA-N 443.916 4.402 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)NCC2(c3cccc(Br)c3)CCOCC2)c1 610224924 JSABADDUQBMISB-UHFFFAOYSA-N 433.302 4.144 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CC(Cc2ccc(C(F)(F)F)cc2)C1 610660345 MOEJGJJOXOZINB-UHFFFAOYSA-N 431.370 4.182 5 20 IIBD CCNC(=O)c1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)c1 611200898 BSLCTOMKEZHLTD-UHFFFAOYSA-N 427.526 4.309 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@H](c2ccnn2C)C(C)C)cc1 616013924 AEDOMYMKJLMNIU-FQEVSTJZSA-N 438.484 4.299 5 20 IIBD COC(=O)c1cc(NC(=O)N2Cc3cccc(Br)c3C2)c(C)c([N+](=O)[O-])c1 617016967 DLBZABKBYZWYCG-UHFFFAOYSA-N 434.246 4.000 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccsc3)cc2)cc1[N+](=O)[O-] 619776409 DGZDBBWJVRUTRO-AWEZNQCLSA-N 445.522 4.257 5 20 IIBD Cc1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Br)c(Cl)c1 725985633 VEXVSDIXZVRIRP-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD CCN(Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1)C(C)C 726054966 WWTCDICQQJYYAG-OAHLLOKOSA-N 431.464 4.148 5 20 IIBD O=C(COC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)Nc1ccc(F)c([N+](=O)[O-])c1 730616301 ZZKXAACWNVAZPL-QWHCGFSZSA-N 427.215 4.326 5 20 IIBD C[C@@H](OC(=O)c1ccccc1OCc1cccs1)C(=O)Nc1ccccc1[N+](=O)[O-] 730618254 PAQAZCYGBNKTPZ-CQSZACIVSA-N 426.450 4.419 5 20 IIBD Cc1cccc(COc2cccc(CC(=O)OCC(=O)N(C)c3ccc([N+](=O)[O-])cc3)c2)c1 733549846 WOGACWRLFVBRAO-UHFFFAOYSA-N 448.475 4.231 5 20 IIBD O=C(O[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1ccc([N+](=O)[O-])cc1Cl 733814707 BUIOWJLHXRVXGA-OAHLLOKOSA-N 444.749 4.109 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCCc1ccc(N2CCCCC2)cc1 735035841 ZPTNMQGAXDMBCB-UHFFFAOYSA-N 431.920 4.366 5 20 IIBD COc1ccc(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)c(Br)c1 735442946 MEDGILWLEFBPJO-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD CC(=O)N(Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1)C1CC1 736042354 KFQOZXBHGTYDGO-UHFFFAOYSA-N 432.274 4.121 5 20 IIBD CNC(=O)c1ccc(N[C@@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)c([N+](=O)[O-])c1 742389966 GHKSZZKTJDMNNQ-QFIPXVFZSA-N 435.480 4.368 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Oc1ccc2c(c1)OC1(CCCCC1)CC2=O 742634954 WGRLFXSNOQPWBT-UHFFFAOYSA-N 447.465 4.039 5 20 IIBD C[C@@H](OC(=O)c1cnc2ccsc2c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 745399414 HYHAGYRAQSSPEY-SECBINFHSA-N 439.371 4.407 5 20 IIBD C[C@H](OC(=O)c1cc(C2CC2)nc2ccc(F)cc12)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 745593205 GOKQPBGHSDXKEG-NSHDSACASA-N 441.390 4.483 5 20 IIBD O=C(COC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 745749409 MDRUFRGVEQJCKL-HNNXBMFYSA-N 447.658 4.160 5 20 IIBD Cc1ccc(C(=O)N2CCC[C@@H](COC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C2)o1 747229883 RUHWGYGMCUBZRX-CYBMUJFWSA-N 440.374 4.224 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc(-c2noc(Cn3ncc4ccc([N+](=O)[O-])cc43)n2)c1 747862555 CTGYHNRYRQHFMZ-UHFFFAOYSA-N 436.428 4.390 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCc1cccc(COCC(F)(F)F)c1 749904187 IOXXUXPAMNPBGQ-UHFFFAOYSA-N 425.363 4.242 5 20 IIBD O=C(OCc1cc(Cl)c2c(c1)OCCO2)c1cc([N+](=O)[O-])ccc1Br 751063883 MFCRNFMFXLPEEL-UHFFFAOYSA-N 428.622 4.139 5 20 IIBD O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 751662539 WWTFYKBZMVWDDT-FQEVSTJZSA-N 449.385 4.234 5 20 IIBD O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccn(-c2cccc(C(F)(F)F)c2)n1 751665825 XRTDZHAEANFLKZ-UHFFFAOYSA-N 432.314 4.298 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2nccnc2Sc2ccccc2)cccc1[N+](=O)[O-] 751849183 AGNRHLAOMBSMLQ-AWEZNQCLSA-N 438.465 4.028 5 20 IIBD Cc1ccc([C@H](C)NC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)cc1[N+](=O)[O-] 752054196 IHFMDTLOZFDBIU-ZDUSSCGKSA-N 444.538 4.022 5 20 IIBD CCn1c([C@@H]2CCCN2S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)nc2ccccc21 752248761 WAFYMXBNXUGPNB-KRWDZBQOSA-N 448.932 4.452 5 20 IIBD COC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)OC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F 755055535 OVOSZGMXKICJNY-GTNSWQLSSA-N 443.349 4.184 5 20 IIBD Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c(C)c1 756529979 WHWJDSXTLFCVMJ-AWEZNQCLSA-N 449.301 4.395 5 20 IIBD Cc1cc(-c2noc([C@@H](C)NC(=O)c3cccc([N+](=O)[O-])c3Br)n2)ccc1F 758677406 BKKSVRTVZPQUNI-SNVBAGLBSA-N 449.236 4.346 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)cc1[N+](=O)[O-])c1ccccn1 759789179 RDEYXEGIRDJMLY-LBPRGKRZSA-N 447.411 4.200 5 20 IIBD CCC(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 761512875 POPYGQKCEZZOMF-LLVKDONJSA-N 438.358 4.390 5 20 IIBD O=C(NC[C@@H](O)c1cccc(OCc2ccccc2)c1)c1cccc(Cl)c1[N+](=O)[O-] 761601280 PQSREKLIDMQPRG-HXUWFJFHSA-N 426.856 4.291 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cc(Br)c1F 762505095 OMIBFZQNXBLJCG-UHFFFAOYSA-N 431.601 4.189 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@@H](C)c1ccc(Cl)c2ccccc12 765814674 HKVIQOPZHHBEHC-ZDUSSCGKSA-N 442.855 4.479 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccc2c(c1)CCCC2 766221684 DBQZDUNXABANJV-OAHLLOKOSA-N 433.464 4.056 5 20 IIBD COc1ccc([C@@H](OC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C2CC2)c(C)c1 766610487 XGSNTCLHQFDZBB-QFIPXVFZSA-N 440.452 4.294 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)cc1)c1ccc(F)cc1 768869867 YNQPQFHCFAUTDL-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD C[C@@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C 769425853 ZDPKJTIFJKTNEZ-IUODEOHRSA-N 428.327 4.092 5 20 IIBD O=C(OCc1ccccc1OCC(F)(F)F)c1cc(Br)ncc1[N+](=O)[O-] 769824616 FDFYTPDUHHRIKY-UHFFFAOYSA-N 435.152 4.050 5 20 IIBD O=C(OCc1csc(-c2ccc(F)cc2)n1)c1cc(Br)ncc1[N+](=O)[O-] 769838756 LRJIMNQMEWUMIM-UHFFFAOYSA-N 438.234 4.372 5 20 IIBD C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 774516209 SIJXFVQPWLDDEF-SNVBAGLBSA-N 447.391 4.123 5 20 IIBD COc1cc(COC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c([N+](=O)[O-])cc1OCC(F)F 780060258 SRWWWNQHNTVUMX-UHFFFAOYSA-N 446.746 4.166 5 20 IIBD CCOc1cc(N2CCOC(C)(C)C2)ccc1N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 780160288 VAEVMLUCTWUVOP-INIZCTEOSA-N 442.516 4.048 5 20 IIBD Cc1sc2nc([C@H](C)OC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc(O)c2c1C 781735661 ASADKKJZFVWHAG-JTQLQIEISA-N 446.441 4.067 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)C2(Cc3ccccc3Cl)CC2)c([N+](=O)[O-])c1 784277761 GASHKIRHAWYPRT-ZDUSSCGKSA-N 432.860 4.150 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H](O)c1ccc2ccccc2c1 786330694 HLUIKGWYPWITGZ-LJQANCHMSA-N 429.270 4.282 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)O[C@@H](C)C(=O)c2ccccc2Br)cc1[N+](=O)[O-] 789033477 OKSVDOMGBGUADX-JTQLQIEISA-N 437.202 4.002 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(=O)c1cc(F)c([N+](=O)[O-])cc1F)CC2 791039507 RCVLLFLPTFRDHS-UHFFFAOYSA-N 439.459 4.126 5 20 IIBD CCC[C@H](NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)[C@@H](O)c1ccccc1 792570025 GNFAQZBTPHXMIL-GMAHTHKFSA-N 436.512 4.089 5 20 IIBD O=C(COC(=O)c1occc1CSc1ccccc1)Nc1cc([N+](=O)[O-])ccc1F 792737372 KHPAAZPSAXPYIM-UHFFFAOYSA-N 430.413 4.415 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 792812102 HSVWMACYOFZDFK-UHFFFAOYSA-N 440.500 4.213 5 20 IIBD O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NNc2c(Cl)cc(F)cc2Cl)c1 795344474 ILMISXVZTMICHQ-UHFFFAOYSA-N 432.619 4.139 5 20 IIBD COC[C@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F 795958072 NEYJBPFKQRDAPC-CQSZACIVSA-N 437.276 4.049 5 20 IIBD CO[C@@H]1CCC[C@H](CC(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 796066234 PASVOEAUDYDYDG-GRDNDAEWSA-N 447.513 4.184 5 20 IIBD Cc1cncc(CCC(=O)O[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)c1 796126759 IJTXAAHSLOYHOI-QHCPKHFHSA-N 433.464 4.462 5 20 IIBD COc1c(C(=O)OCc2ncc(-c3ccccc3Br)o2)cccc1[N+](=O)[O-] 796310779 SGLXPBIONGABIL-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD Cc1nc(SC(F)F)sc1CC(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 796642801 JERGIKZKHYGJQQ-UHFFFAOYSA-N 425.442 4.041 5 20 IIBD Cc1nc(SC(F)F)sc1CC(=O)O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 796768200 ZSFKUUHHEZWCFN-QWRGUYRKSA-N 432.474 4.141 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 797649926 ZLEITHVXDWQYAR-IBGZPJMESA-N 440.500 4.382 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])ccc1I)c1ccc(Cl)cc1F 798218934 XYJVYHOZQPIISI-UHFFFAOYSA-N 434.592 4.269 5 20 IIBD CC(C)(C)OC(=O)NCc1nc(CSc2ccc(Br)cc2[N+](=O)[O-])no1 799887835 JGZYPOZNRVEPGO-UHFFFAOYSA-N 445.295 4.057 5 20 IIBD CC(C)(C)OC(=O)c1cccc(COC(=O)c2cc(Br)ncc2[N+](=O)[O-])c1 800193086 KJFDRWAPPCFMQN-UHFFFAOYSA-N 437.246 4.065 5 20 IIBD Cn1ccc2ccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3Cl)cc2c1=O 803720422 BDZBKLNPJUSWBU-UHFFFAOYSA-N 436.649 4.115 5 20 IIBD C[C@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Oc2cccnc2)cc1 807618776 PEVKNLCFAATVDA-SFHVURJKSA-N 447.495 4.375 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(Cl)c(SC(=O)N(C)C)c2)c1C 808117023 IQUKXVYHESOZSH-UHFFFAOYSA-N 443.934 4.440 5 20 IIBD O=C(NC1CCCCC1)OC[C@@H]1CCCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 809270641 JTRJQUDGNXHSDT-SFHVURJKSA-N 429.473 4.395 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2c2nc(-c3ccc(C)c([N+](=O)[O-])c3)no2)ccc1[N+](=O)[O-] 809300804 FXAYOIYFNHDKDH-QGZVFWFLSA-N 437.412 4.147 5 20 IIBD C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1ccc(N2CCCCC2=O)cc1 811969015 VKLQVBWIDFRORN-HNNXBMFYSA-N 427.476 4.406 5 20 IIBD CCOc1ccccc1[C@@H](CC)NC(=O)COC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl 815404239 BEZIQAGFHLIMLK-QGZVFWFLSA-N 434.876 4.380 5 20 IIBD CSc1ccc(C(=O)O[C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] 816401169 PABKDWLKXUTYOI-FZKQIMNGSA-N 432.473 4.365 5 20 IIBD CCC(CC)N=c1cc[nH]cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 820139494 DQXUJJJAAVFFLY-UHFFFAOYSA-N 425.258 4.166 5 20 IIBD C[C@H](OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)ccc1Cl 849194792 YFMQVMBGRKDCRE-NSHDSACASA-N 449.250 4.271 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2cc(-c3ccco3)[nH]n2)c2ccccc2)c([N+](=O)[O-])c1 913297545 YDWGQDLLPXREDR-NRFANRHFSA-N 446.419 4.423 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cccc(NC(=O)c2ccccc2)c1 915299861 VXQMSBRQGZFAEL-CQSZACIVSA-N 434.408 4.246 5 20 IIBD COCCNC(=O)/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1nc2ccccc2[nH]1 916155270 QYBGSCNZCAPDGL-NBVRZTHBSA-N 432.436 4.034 5 20 IIBD CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)Nc1ccc(-c2ccccc2)cc1 919812110 HCMBIAGSAPBWPM-GOSISDBHSA-N 439.493 4.345 5 20 IIBD O=C(OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1csc(-c2ccc(F)cc2)n1 920147375 IANVDRRUUPTLPB-UHFFFAOYSA-N 449.847 4.098 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 921009061 OGNRPDYLWQRMIV-ZDUSSCGKSA-N 440.456 4.244 5 20 IIBD O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc([N+](=O)[O-])c2cccnc12 1116425288 XRLJMQKHVFWPCJ-HXUWFJFHSA-N 427.464 4.195 5 20 IIBD Cc1cccc(OCc2nnc(-c3ccc([N+](=O)[O-])cc3I)o2)c1 1261567635 SUBNZAZRUVCKEC-UHFFFAOYSA-N 437.193 4.137 5 20 IIBD C[C@H](CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1319258879 SOOBOGWWNIHKDQ-AEFFLSMTSA-N 431.533 4.153 5 20 IIBD O=C(Oc1ccccc1)N1CCCN(Cc2ccc([N+](=O)[O-])cc2Br)CC1 1320533988 RJXHZEWZTXTRSP-UHFFFAOYSA-N 434.290 4.064 5 20 IIBD CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2Cc2ccccc2)cc1F 1321019242 FUOXZUIMCRAJQN-UHFFFAOYSA-N 444.440 4.051 5 20 IIBD Cc1c(I)cccc1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 1322350219 BYJYJYRXTGDCNA-UHFFFAOYSA-N 448.619 4.482 5 20 IIBD COc1cc(CCNC(=O)N2C[C@H]3CCCC[C@@]32c2ccccc2)c([N+](=O)[O-])cc1OC 1323426743 GPRCFUTUIHAMFL-NTKDMRAZSA-N 439.512 4.265 5 20 IIBD Cc1c(C(=O)COC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cnn1-c1ccccc1 1323642000 LYURENDTQHPOLW-UHFFFAOYSA-N 437.455 4.215 5 20 IIBD COc1cc(Br)cc(CO)c1OCc1cc([N+](=O)[O-])ccc1OC(C)C 1324093453 DBYYMGZLNDTKDN-UHFFFAOYSA-N 426.263 4.224 5 20 IIBD O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CCC(Nc2ccccc2Cl)CC1 1324475210 HXWODGJOBJQWHC-UHFFFAOYSA-N 448.303 4.306 5 20 IIBD O=C(/C=C/c1cccnc1)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1 1785748105 JHOJRVBWFNUAFI-ONNFQVAWSA-N 432.436 4.044 5 20 IIBD O=C(/C=C/C1CC1)Nc1ccc(C2(NC(=O)Cc3cc(F)ccc3[N+](=O)[O-])CCC2)cc1 1786161577 WTVQIQHINHEBKE-NYYWCZLTSA-N 437.471 4.377 5 20 IIBD C[C@@H]1CCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3cccc([N+](=O)[O-])c3)CCC1)C2 1797919928 RIWIGKGQSQGCLO-KQDNOMNESA-N 439.556 4.091 5 20 IIBD O=C(/C=C/c1ccsc1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1[N+](=O)[O-] 1804341052 PVQDGRKXFGIJPO-VZYVABONSA-N 437.521 4.021 5 20 IIBD Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1C 1804343885 MYDWNYMDJMAZHY-IAMPMHKFSA-N 433.508 4.177 5 20 IIBD CCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830498423 VNINUGNOBCBXEC-FQEVSTJZSA-N 433.524 4.403 5 20 IIBD Cc1ccc(C(=O)N2CC3(CCCN3C(=O)c3c(F)ccc([N+](=O)[O-])c3C)C2)c(Cl)c1 1845494226 YZFWVVOPHZXGAH-UHFFFAOYSA-N 445.878 4.135 5 20 IIBD C[C@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 10634274 FNDZFNWLHYFDMO-NSHDSACASA-N 435.358 4.208 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1 18184258 RGSDLZVLRZVLHN-UHFFFAOYSA-N 449.554 4.052 5 20 IIBD C[C@H](OC(=O)c1ccc(Br)cc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 18612093 WASFIOICGMXNPQ-QMMMGPOBSA-N 445.628 4.334 5 20 IIBD Cc1cccc(NC(=O)NC(=O)CSc2nc3cc4ccccc4cc3c(=O)n2C)c1C 25798376 GNQRYBSMARLHJG-UHFFFAOYSA-N 446.532 4.144 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(F)c1 28774993 WBWLHEJCNLQSDD-INIZCTEOSA-N 432.451 4.173 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1 32098226 LWWKOCHRISATFP-UHFFFAOYSA-N 435.845 4.203 5 20 IIBD Cc1cc2nc(C)c(CCC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)c(C)n2n1 57764954 GOLYHXVCURKRKL-UHFFFAOYSA-N 436.497 4.258 5 20 IIBD CCc1cc(NCCS(=O)(=O)c2ccc(Cl)cc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 64916039 PSNSEWQAIUTJBQ-UHFFFAOYSA-N 446.916 4.153 5 20 IIBD O=C(Nc1cc(N2CCCC2=O)ccc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 71895248 AQSMGKJJRIBWFM-UHFFFAOYSA-N 428.876 4.228 5 20 IIBD CCc1ccc(-c2nc(CN3C(=O)N[C@](C)(c4cccc([N+](=O)[O-])c4)C3=O)cs2)cc1 97336413 WBYQYTWYADZIRW-JOCHJYFZSA-N 436.493 4.248 5 20 IIBD O=C(Nc1cccc(C(=O)Nc2ccc(Br)cn2)c1)c1csc([N+](=O)[O-])c1 116460833 YJIRKTVGQWIYKE-UHFFFAOYSA-N 447.270 4.318 5 20 IIBD Cc1ccc(C(C)C)c(Oc2ccc(CNC[C@@H]3CCS(=O)(=O)C3)cc2[N+](=O)[O-])c1 236741699 PJEXMOUONOVDSO-SFHVURJKSA-N 432.542 4.343 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCc1cc(-c2ccccc2)on1 301137055 BFVBSCMOOBPJOL-UHFFFAOYSA-N 442.497 4.037 5 20 IIBD CCOc1ccc(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cc1Br 428446339 JPGMHNCJTWPMFQ-UHFFFAOYSA-N 432.230 4.262 5 20 IIBD Cc1ccc([C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@H](C)S(C)(=O)=O)cc1 437839276 MGSNFLCUQIBCMX-ORAYPTAESA-N 432.523 4.022 5 20 IIBD CC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 438800790 OOEUMQRJASVRGN-SNVBAGLBSA-N 446.312 4.231 5 20 IIBD Cc1c(CC(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)cccc1[N+](=O)[O-] 438824869 RUPQDZRJTUMTHT-UHFFFAOYSA-N 443.301 4.286 5 20 IIBD O=C([C@H]1C[C@]12CCc1ccccc12)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 438869734 IBVLTJIDTHHGQX-GCJKJVERSA-N 445.441 4.166 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3cc([C@H]4C[C@H]5CC[C@H]4C5)[nH]n3)cc2)c(C)c1[N+](=O)[O-] 439335751 BNLHKRYBAVPPEV-WDSOQIARSA-N 434.500 4.335 5 20 IIBD Cc1ccc(Cl)c(N(Cc2ncc[nH]2)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c1 440877815 UPYFBBWAZZGFQA-UHFFFAOYSA-N 436.859 4.312 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 443643548 BKSNFAPQWUHRQV-OAHLLOKOSA-N 426.448 4.392 5 20 IIBD C[C@@H](NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1ccc([S@](C)=O)cc1 444233511 BCBKECUALYURTM-VEWZGRNOSA-N 440.471 4.188 5 20 IIBD Cc1ncc(-c2noc(-c3ccc(NCc4ccccc4Cl)c([N+](=O)[O-])c3)n2)c(N)n1 445480277 LXPLAWLHTYIVHE-UHFFFAOYSA-N 437.847 4.258 5 20 IIBD Cc1ccc(-c2nnc(-c3ccc(-c4nc(-c5c([N+](=O)[O-])nc(C)n5C)no4)cc3)o2)cc1 445588969 XBWZVIQMXSTOPS-UHFFFAOYSA-N 443.423 4.379 5 20 IIBD Cc1cc(=O)c(-c2nc(C(C)(C)Cc3ccccc3)no2)nn1-c1ccccc1[N+](=O)[O-] 445785247 WAVHFPTYWMITOM-UHFFFAOYSA-N 431.452 4.019 5 20 IIBD O=C(c1ccccc1)c1ccc(OCC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 460362718 LKOLAFMEHDWHEG-XMMPIXPASA-N 448.500 4.479 5 20 IIBD COc1cccc(Cc2nnc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])s2)c1 463796519 YSWXIBBKWMWKOY-UHFFFAOYSA-N 438.387 4.317 5 20 IIBD Cc1cccc([C@@H]2CCCCN2C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1C 464588149 VGXHXIHNKYJEFM-SFHVURJKSA-N 429.904 4.349 5 20 IIBD O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)Nc1cc(F)cc([N+](=O)[O-])c1 470150930 JIRYZMXHGWZHQC-LBPRGKRZSA-N 437.269 4.144 5 20 IIBD COCCN(C(=O)c1ccnc(OC(C)C)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 470949247 WDROYFAPLSCHPZ-UHFFFAOYSA-N 442.497 4.194 5 20 IIBD CCc1ccc(C(=O)N2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn34)C2)cc1[N+](=O)[O-] 471664969 BOGDTLRDBJCKBO-OAHLLOKOSA-N 447.417 4.239 5 20 IIBD O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 472699952 QFWDOLIEZUDROX-OAHLLOKOSA-N 432.445 4.092 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(Br)c(F)cc2C)cc1OC 475746481 JOHMAIMVBKOIIO-UHFFFAOYSA-N 427.226 4.464 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC(O)(Cc2ccc(F)cc2)CC1 479250857 IWNVUEJRKPZGNS-UHFFFAOYSA-N 441.484 4.067 5 20 IIBD CNC(=O)c1cc2cc(Nc3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])ccc2[nH]1 480589037 RNMVFHRTEMZQHR-UHFFFAOYSA-N 429.305 4.228 5 20 IIBD COc1cccc(F)c1NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 481640622 SIOKOSBXXCLRKR-UHFFFAOYSA-N 442.369 4.115 5 20 IIBD O=C(Nc1cccc(Cn2cncn2)c1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 483097604 IOSSUBZHUKCZSJ-UHFFFAOYSA-N 428.452 4.099 5 20 IIBD Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 484234025 NLUMSBJZXKVTDU-UHFFFAOYSA-N 436.390 4.022 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1nnc(CC(F)(F)F)s1 484943264 GIYVNNYJEBINLB-UHFFFAOYSA-N 443.329 4.011 5 20 IIBD COC(=O)CSCc1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 485284198 MYUCORIWKSKTQM-LBPRGKRZSA-N 438.889 4.060 5 20 IIBD O=C(NC[C@@H](Cc1ccc2ccccc2c1)C(=O)O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 486403765 ZYAVFLIUZFSBKE-MRXNPFEDSA-N 446.381 4.440 5 20 IIBD Cc1oc(-c2ccsc2)nc1CC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 486730275 CMORALBPHQGLMN-UHFFFAOYSA-N 425.388 4.497 5 20 IIBD COc1ccc([C@@H]2CCCCCN2C(=O)Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)cc1 487876835 UPHKUUFIGKIVSI-FQEVSTJZSA-N 435.480 4.062 5 20 IIBD CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 488667672 LHAQLSZLNOAXJU-AWEZNQCLSA-N 434.899 4.020 5 20 IIBD CCc1nc(C)c(CNc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])o1 489054066 PBSYCBPCVBEZCE-UHFFFAOYSA-N 444.513 4.483 5 20 IIBD COc1cc(CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1OCC(F)(F)F 489906430 CCGZRFABZUTICE-ZDUSSCGKSA-N 441.406 4.413 5 20 IIBD C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@H]1CCN(Cc2ccccc2)C1 490759400 RMZPNYSVPOSFFI-IRLDBZIGSA-N 439.559 4.182 5 20 IIBD CC[C@H]1Oc2cc([C@@H](C)NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)ccc2NC1=O 491313033 RTQNYEGHIDNGLA-JLTOFOAXSA-N 438.484 4.140 5 20 IIBD CCc1ccc(C(=O)N[C@@H](c2cc(OC)c(OC)c(OC)c2)C(F)(F)F)cc1[N+](=O)[O-] 492061835 CIFTXPSAEPDGLX-SFHVURJKSA-N 442.390 4.216 5 20 IIBD Cc1ccc([C@H](C)NC(=O)NC[C@@H](CO)Cc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] 494450300 ZUQCRZOLOJXXGJ-GJZGRUSLSA-N 439.434 4.133 5 20 IIBD O=C(NCc1ccccc1)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1 496411597 NHVMHJZSILWOGU-UHFFFAOYSA-N 441.390 4.379 5 20 IIBD CC[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[C@H](O)C(F)(F)F 498364617 PLKWDCSMYHQZSS-HIFRSBDPSA-N 437.212 4.409 5 20 IIBD O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCO[C@H](c2cccc(Br)c2)C1 500251614 CWGVIPOXQICXOQ-IBGZPJMESA-N 446.301 4.145 5 20 IIBD O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 503461425 GJTMOCSHLPNUHL-UHFFFAOYSA-N 429.476 4.298 5 20 IIBD O=C(COc1c(Cl)cncc1[N+](=O)[O-])N1CCc2sccc2[C@@H]1c1ccccc1 506591316 AIXULEHILRJMSD-IBGZPJMESA-N 429.885 4.258 5 20 IIBD Cc1cc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)nn1-c1ccc(F)cc1F 507524300 BSWRCMDFKAKAPE-FQEVSTJZSA-N 430.436 4.255 5 20 IIBD Cc1cccc(C(=O)N2CCCC2)c1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 508287684 KWXIOPPLSWKBAO-UHFFFAOYSA-N 439.515 4.338 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)cc1[N+](=O)[O-] 509663543 KBALINPWEOLMJB-MRXNPFEDSA-N 435.274 4.476 5 20 IIBD Cc1cccc([C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C(F)(F)F)c1 510481449 MKZSOJJSZHQKEP-MRXNPFEDSA-N 446.223 4.497 5 20 IIBD COc1ccc(Cc2noc(-c3cc(Br)c(C)c([N+](=O)[O-])c3)n2)cc1OC 512288670 DUEAJWRPDCXIBT-UHFFFAOYSA-N 434.246 4.324 5 20 IIBD C[C@@H](c1ccc(OC(F)(F)F)cc1)S(=O)(=O)Cc1cc([N+](=O)[O-])cc2c1OCOC2 512494522 PYWRKLXXJSTURF-NSHDSACASA-N 447.387 4.036 5 20 IIBD Cc1cc(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2C(F)(F)F)cc([N+](=O)[O-])c1 518907488 IXRXEPDPDNCXMI-KRWDZBQOSA-N 437.374 4.292 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(COC(C)C)cc2)ccc1[N+](=O)[O-] 523272257 LWNWJPCANSAMDN-OAQYLSRUSA-N 425.485 4.072 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc(COc2cccc(Br)c2)o1 524338532 LQCFFJNBUOVNSC-UHFFFAOYSA-N 431.242 4.459 5 20 IIBD C[C@H]1C[C@H](c2ccc(F)cc2)CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br 533436179 FPOQBUQDJRWIMI-JSGCOSHPSA-N 436.281 4.313 5 20 IIBD COc1ccnc2c(NC(=O)c3ccc([N+](=O)[O-])cc3I)cccc12 535068184 WEUJYIALIGTSGA-UHFFFAOYSA-N 449.204 4.009 5 20 IIBD O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 538558714 JJGREGAFIKQYRW-UHFFFAOYSA-N 426.392 4.236 5 20 IIBD COc1cc(Cl)c(S(=O)(=O)n2cc(-c3cccc([N+](=O)[O-])c3)cn2)cc1Cl 540868628 SXSBJBCAUNSBLI-UHFFFAOYSA-N 428.253 4.011 5 20 IIBD C[C@H](C(=O)N[C@H](C)[C@H](OC1CCOCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1F 541599398 LBBYGUZJAREKCI-DMPWYTOCSA-N 430.476 4.279 5 20 IIBD CCC(CC)(CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])N[C@@H](C)c1ccccc1 542120825 DBAMCJVQZMKHME-AWEZNQCLSA-N 425.576 4.381 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CCN(Cc2ccncc2)CC1 542632704 VLYAAVKNJKWYKO-UHFFFAOYSA-N 440.569 4.230 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N(Cc1cccc(Br)c1)C(C)C 543385856 CDGIUZXEZNVXAB-UHFFFAOYSA-N 436.306 4.486 5 20 IIBD Cc1ccsc1[C@H](Cc1ccccc1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 543453324 NEWGOVZSQMLUIO-FQEVSTJZSA-N 430.551 4.312 5 20 IIBD COc1cccc(Oc2ncccc2CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c1 544399473 CLLWETZJNNTMSY-AWEZNQCLSA-N 425.416 4.350 5 20 IIBD CCO[C@@H]1C[C@@H](NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@@]12CCCO2 544709803 JSBPUOCSDXKTPE-OYRHQHFDSA-N 448.523 4.264 5 20 IIBD O=C(NCCc1nc(-c2ccccc2OCC2CCCC2)no1)c1ccc([N+](=O)[O-])cc1 545070910 XJKURHCOCDVCCZ-UHFFFAOYSA-N 436.468 4.186 5 20 IIBD COc1ccc(-n2nc(-c3nc(Cc4c[nH]c5ccc([N+](=O)[O-])cc45)no3)cc2C)cc1 545077768 QKECHCKDHXSLHE-UHFFFAOYSA-N 430.424 4.220 5 20 IIBD CCc1cc(Oc2cnc(-c3noc(-c4c([N+](=O)[O-])c(C)nn4C)n3)cn2)ccc1Cl 545803841 NFUBPQSVVNUMBH-UHFFFAOYSA-N 441.835 4.152 5 20 IIBD COc1ccc(Cc2noc(Cc3ccc([N+](=O)[O-])cc3Cl)n2)cc1OC(F)F 546349446 SJSHQYDPLMSSAR-UHFFFAOYSA-N 425.775 4.423 5 20 IIBD COc1cc(CNc2ccc3c(c2)N(C(=O)Cc2ccccc2)CC3)c([N+](=O)[O-])cc1OC 549914788 HEZUGDXBTXNZOY-UHFFFAOYSA-N 447.491 4.356 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CNC3(Cc4ccc(F)cc4Cl)CCOCC3)o2)cc1 550029878 ZGJOZIGDTDYRIA-UHFFFAOYSA-N 446.866 4.319 5 20 IIBD CC(C)(NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1ccccc1[N+](=O)[O-] 554074076 VDLRYAVVHKGCOO-UHFFFAOYSA-N 442.475 4.018 5 20 IIBD COc1ccc([C@@H](C)NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c(C)c1OC 554080847 CNVMREJOKSSHJT-MRXNPFEDSA-N 427.501 4.014 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CSc2ccc(Br)cc21 555204954 KTOJXIBZBNZLGV-INIZCTEOSA-N 436.331 4.388 5 20 IIBD Cc1cc(OCc2nc(Cc3nc(O)c4c(C5CC5)csc4n3)no2)ccc1[N+](=O)[O-] 557513447 KDFYULDTYHVYGJ-UHFFFAOYSA-N 439.453 4.044 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)NCCc2c[nH]c3ccc(Br)cc23)c1 558829783 FTUMWAOJVCBBQJ-UHFFFAOYSA-N 432.274 4.210 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@H]2CCc3sc(Cl)cc32)ccc1[N+](=O)[O-] 565512684 HKWWJPOGXJDPMT-HOCLYGCPSA-N 433.917 4.026 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1nc(C2CCOCC2)cs1 567070696 CHDZSRAGYLLRHY-UHFFFAOYSA-N 444.435 4.405 5 20 IIBD C[C@H](C(=O)NCC1(c2ccc(Br)cc2)CCOCC1)c1cccc([N+](=O)[O-])c1 567811287 DABILHKFXLHUDA-HNNXBMFYSA-N 447.329 4.325 5 20 IIBD CCCCN(C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)[C@@H]1CCC[C@@H](C)C1 570878895 JOXQUGXSWMOXNM-SJLPKXTDSA-N 426.517 4.270 5 20 IIBD CSc1cccc(F)c1CNCc1cc(I)cc([N+](=O)[O-])c1 570888822 DBGLTKUOTMCEHC-UHFFFAOYSA-N 432.258 4.350 5 20 IIBD Cc1cc(CN(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCCO2)ccc1F 571932821 MMPKIPBBCGDIBC-IBGZPJMESA-N 425.464 4.116 5 20 IIBD CC(C)(C)Cc1nnc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1CCc1ccccc1 574706726 MODFJMNLSANRAB-UHFFFAOYSA-N 437.548 4.056 5 20 IIBD CN1CCC[C@@H](CNc2cccc(C(N)=O)c2[N+](=O)[O-])[C@H]1c1ccc(C(F)(F)F)cc1 579816750 VHMYDVYKTJHOMA-KBXCAEBGSA-N 436.434 4.208 5 20 IIBD CCOC(=O)c1n[nH]c(-c2cccc(CNCc3ccc(-c4ccccc4[N+](=O)[O-])o3)c2)n1 584682392 RTLLPYLIFPCPSU-UHFFFAOYSA-N 447.451 4.106 5 20 IIBD CS(=O)(=O)c1cc(CNc2ccc3ncccc3c2[N+](=O)[O-])cc(C(F)(F)F)c1 588045525 WIXJLPBCLMKVCI-UHFFFAOYSA-N 425.388 4.177 5 20 IIBD CCOc1cc(C(=O)N2CC(Cc3cccc(C(F)(F)F)c3)C2)c([N+](=O)[O-])cc1OC 590421829 CFRZWLXITHMRJU-UHFFFAOYSA-N 438.402 4.336 5 20 IIBD CCCOc1cc(NC(=O)NCc2cn3ccccc3n2)c([N+](=O)[O-])cc1OCCC 603652565 IAHDGXCVSDSIER-UHFFFAOYSA-N 427.461 4.142 5 20 IIBD O=C(CCCOc1ccccc1)Nc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 603901829 CETRUIIBIPTDMC-UHFFFAOYSA-N 449.463 4.028 5 20 IIBD COc1ccc(NC(=O)CSc2nc3ccc(C(F)(F)F)cc3[nH]2)c([N+](=O)[O-])c1 603938266 SCVNJHJBFYMMQV-UHFFFAOYSA-N 426.376 4.229 5 20 IIBD Cc1cccc(NS(=O)(=O)c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3F)ccc2C)c1 604038315 WJFSEAIUMXNJIS-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD C[C@@H](NC(=O)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1)c1cccc([N+](=O)[O-])c1 604127819 WDGYJHLMTSHXQP-OAHLLOKOSA-N 425.464 4.459 5 20 IIBD Cc1cc(C(=O)Nc2ccc(Oc3ccc(S(C)(=O)=O)cc3)cc2)cc([N+](=O)[O-])c1 608809399 GNJPYIPPDYLFGK-UHFFFAOYSA-N 426.450 4.351 5 20 IIBD Cc1ccc2[nH]c3c(c2c1)CN(c1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)CC3 608830535 VTMPPRKAANTMAD-UHFFFAOYSA-N 435.871 4.147 5 20 IIBD C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 608895967 GFMYACPSYVNBCW-JTQLQIEISA-N 427.240 4.469 5 20 IIBD CCOc1cc(NC(=O)NCCCc2nc3c(s2)CCCC3)c([N+](=O)[O-])cc1OCC 608914967 ANXRXNDIFAXINP-UHFFFAOYSA-N 448.545 4.482 5 20 IIBD Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 608945915 IXNWAZGNKNEFDK-HNNXBMFYSA-N 445.566 4.212 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1cccc2c1CN([C@@H](C)C(C)C)C2 609041676 OBXNPYMNXHGHIV-CVEARBPZSA-N 426.517 4.403 5 20 IIBD Cn1cc(C(=O)N2CCC(c3ccc(F)c(F)c3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 609183522 VLHZHPDZAJLHLD-UHFFFAOYSA-N 426.423 4.293 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)Cc3nc4ccccc4n3C)cc2[N+](=O)[O-])C1 609533082 XMALZSDJRJBOAY-IRXDYDNUSA-N 435.528 4.236 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCc1cc(F)ccc1Br 609723628 OBJZFRNMZQNDRX-UHFFFAOYSA-N 431.645 4.235 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(C(C)(C)C(N)=O)cc3)cc2[N+](=O)[O-])C1 610050533 OULPLAFAFGCTSV-HZPDHXFCSA-N 438.528 4.092 5 20 IIBD CCOc1cc(CNC2C[C@H](C)C[C@@H](C)C2)ccc1OCCn1c([N+](=O)[O-])cnc1C 610089142 CPVSLGXETDJSLL-IAGOWNOFSA-N 430.549 4.492 5 20 IIBD CCOc1ccccc1C(=O)N[C@H](C(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1)C(C)C 610556786 UCDLYXSGCBIEPM-CTNGQTDRSA-N 427.501 4.015 5 20 IIBD COc1ccc2c(c1)CC[C@@H](NC(=O)c1ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c1)C2 612087487 JMQPRKOLIQDWDT-OXJNMPFZSA-N 446.507 4.459 5 20 IIBD COC(=O)c1ccc(OCc2csc(N(C(C)=O)c3ccccc3)n2)cc1[N+](=O)[O-] 613113114 WEGXRTULZYXQFT-UHFFFAOYSA-N 427.438 4.102 5 20 IIBD COC(=O)C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(OC)cc1 613861793 HFDBXQMVCKFMJI-HNNXBMFYSA-N 441.362 4.048 5 20 IIBD CCOc1cc(NC(=O)Cc2csc(-c3cccnc3)n2)c([N+](=O)[O-])cc1OCC 619213151 WWKPFEBKCPXNPK-UHFFFAOYSA-N 428.470 4.092 5 20 IIBD C[C@@H](OC(=O)c1csc(-c2ccc(O)cc2)n1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 726644697 UZHUVTPTGSCPMN-LLVKDONJSA-N 438.421 4.392 5 20 IIBD Cc1[nH]c2ccccc2c1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727328835 HXVBYFWNLUJBNW-UHFFFAOYSA-N 446.429 4.295 5 20 IIBD O=C(OCc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 728994163 KGGMDVUMBOSTJR-LLVKDONJSA-N 427.215 4.137 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)O[C@@H](c1cccc(Cl)c1)C(F)(F)F 730420469 HFKGVWZFRAUUDP-INIZCTEOSA-N 430.766 4.215 5 20 IIBD COc1ccccc1C[C@@H](C)CC(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 730693329 WHKLEIPLPLWXIS-QGZVFWFLSA-N 427.501 4.027 5 20 IIBD COc1cc(C(=O)N[C@@H](CN(C)C)C(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 733167649 XYCDKNQKQAAZGY-INIZCTEOSA-N 435.908 4.365 5 20 IIBD C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 736118508 TULKNUGFMDVRAM-LDBYXDLTSA-N 444.509 4.156 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2cc(Cl)ccc2Cl)c(Br)c1 738403984 SJUAZVTZGUJBQW-UHFFFAOYSA-N 427.059 4.432 5 20 IIBD O=C(Cc1csc(NC(=O)c2cccs2)n1)OCc1ccc(Cl)c([N+](=O)[O-])c1 741441612 YRUXRBJOJZUXBV-UHFFFAOYSA-N 437.886 4.304 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(OC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cc1 742094825 HPNUYLPWIPJNKE-UHFFFAOYSA-N 425.397 4.415 5 20 IIBD Cn1c(C(=O)O[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc2cc(C(F)(F)F)ccc21 745625855 FNFYJNGORQTDKQ-SFHVURJKSA-N 447.369 4.068 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(Br)cc2F)c(C(F)(F)F)c1 746602866 HRMZPFNKHKJGJN-UHFFFAOYSA-N 444.156 4.283 5 20 IIBD Cc1cccc(N2C(=O)/C(=C/c3ccc(Br)c([N+](=O)[O-])c3)NC2=S)c1C 747977951 WUVJSNWVMNTSEZ-ZSOIEALJSA-N 432.299 4.236 5 20 IIBD Cc1c(C(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748635817 ZRSJRFDCDVVVBJ-UHFFFAOYSA-N 447.875 4.251 5 20 IIBD COc1cc(COC(=O)C[C@@H](O)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC(F)F 750369948 KIGFOYTZASVCAU-CQSZACIVSA-N 431.775 4.025 5 20 IIBD Cc1nc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3I)cc2)co1 751073180 RCLKIKKQJPBRMB-UHFFFAOYSA-N 449.204 4.415 5 20 IIBD O=C(OCc1nnc(-c2ccc(Br)s2)o1)c1c(F)ccc([N+](=O)[O-])c1F 752559738 PYSAZRNGYRBOBU-UHFFFAOYSA-N 446.185 4.104 5 20 IIBD COc1cccc(NC(=O)[C@H](OC(=O)c2c(F)ccc([N+](=O)[O-])c2F)c2ccccc2)c1 752564464 FOXAWZCLGHRDRZ-HXUWFJFHSA-N 442.374 4.418 5 20 IIBD Cc1ccc2nc([C@@H]3CCCN(C(=O)c4cc([N+](=O)[O-])ccc4N4CCCC4)C3)[nH]c2c1 752854528 ISBYIFVOWNAVFZ-QGZVFWFLSA-N 433.512 4.400 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](N(C)c2ccc(C)cc2)C1 753045836 MIOYLRXYQJCULC-FQEVSTJZSA-N 443.569 4.383 5 20 IIBD COc1cc(N)c([N+](=O)[O-])cc1C(=O)O[C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 753455058 SWOAZRWGQYBAPZ-NRFANRHFSA-N 435.436 4.031 5 20 IIBD Cn1ccnc1[C@H](NC[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 753586250 GPYSXSZZJGLNTL-AUSIDOKSSA-N 443.548 4.045 5 20 IIBD C[C@H](C(=O)Nc1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2)c1ccc([N+](=O)[O-])cc1F 754418389 AZALOSNJYOYQJA-ZDUSSCGKSA-N 444.463 4.164 5 20 IIBD O=C(N[C@@H]1CCOc2c1ccc(Cl)c2Cl)c1cc([N+](=O)[O-])ccc1SCCO 754741977 OMAZHRPTRCWOGI-CQSZACIVSA-N 443.308 4.240 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1ccc(Br)cc1F 755312624 LTZVGCZAXLXCFW-UHFFFAOYSA-N 446.070 4.118 5 20 IIBD C[C@H](OC(=O)Cc1cccc(F)c1F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 756487161 GLETVPCDJGMFDK-VIFPVBQESA-N 432.301 4.005 5 20 IIBD CC(C)(C)OC(=O)NCC1(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCCC1 757364735 RBZCMIRCSYPPBU-UHFFFAOYSA-N 429.420 4.220 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCC[C@H](O)c2ccc(Cl)c(Cl)c2)cc1SC 760734696 UJYIXWFIJJNARU-HNNXBMFYSA-N 445.324 4.486 5 20 IIBD Cc1cccc2c(O)nc(COC(=O)c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)nc12 760845746 BYYSCHXUMTXDOU-UHFFFAOYSA-N 436.468 4.145 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2 767135809 SCLZXYZEPKHZCN-HNNXBMFYSA-N 441.484 4.158 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1cc(Cl)nc(N2CCCC2)c1 770321033 XJNANNYCUIZWSK-UHFFFAOYSA-N 425.670 4.258 5 20 IIBD CCc1sc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C(N)=O)c1C 770716680 QESFSLWTRZELMS-UHFFFAOYSA-N 447.460 4.376 5 20 IIBD CCO[C@@H]1C[C@H](OC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C12CCOCC2 770995630 OMRIKEFWTHJJHL-YADHBBJMSA-N 440.496 4.338 5 20 IIBD Cc1c(C(=O)O[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)csc1Br 772455778 AYDRQMZDIPQMIA-MRVPVSSYSA-N 431.239 4.050 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21 775089604 IJNXIQWELVLCSF-RDTXWAMCSA-N 444.509 4.281 5 20 IIBD O=C(CCc1nnc(-c2ccsc2)o1)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776134571 LQUSJBIWQLKBLV-FQEVSTJZSA-N 436.449 4.367 5 20 IIBD O=C(O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1ccnc(OCC(F)(F)F)c1 776136731 XKCBQDICKMNCLV-GOSISDBHSA-N 433.342 4.272 5 20 IIBD CCc1ccccc1NC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc([N+](=O)[O-])cc1F 777941176 CNNJTJINOBMFGW-LJQANCHMSA-N 428.489 4.070 5 20 IIBD COc1cc(Br)c(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc1OC 777954624 NFVZQEVQVWVOHU-UHFFFAOYSA-N 431.189 4.105 5 20 IIBD CC(=O)N(c1cccc(Cl)c1)c1nc(COC(=O)c2c(N)cccc2[N+](=O)[O-])cs1 778145237 JZHNPYYMNFXWJZ-UHFFFAOYSA-N 446.872 4.329 5 20 IIBD C[C@H](OC(=O)[C@@H](F)Cc1ccccc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 778202901 IRTDKDLUPJFQMH-GUYCJALGSA-N 443.456 4.169 5 20 IIBD CC(C)(C)OC(=O)N1Cc2ccc(CNc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)cc2C1 780627750 NOSQARPJHYXGKN-UHFFFAOYSA-N 438.484 4.342 5 20 IIBD CCOc1ccc(-c2noc(COC(=O)c3cccc([N+](=O)[O-])c3Br)n2)cc1 781678110 NLYLRDFYLDRRSY-UHFFFAOYSA-N 448.229 4.163 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 782535404 GAKMJCRAFFBMMF-DGCLKSJQSA-N 445.829 4.128 5 20 IIBD COc1ccc(-c2noc([C@H](C)OC(=O)CCOc3cc(C)ccc3[N+](=O)[O-])n2)cc1 782806153 FUXCUNHIAITBBA-AWEZNQCLSA-N 427.413 4.035 5 20 IIBD COc1cc(Br)ccc1CCCNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] 784446726 MANGFAKPSQWNIR-UHFFFAOYSA-N 425.254 4.176 5 20 IIBD O=C(CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)OCCN1CCCS1(=O)=O 785641411 YFLNSQWZIJAVHB-UHFFFAOYSA-N 449.528 4.126 5 20 IIBD Cc1oc(-c2ccccc2)nc1CC(=O)O[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 787027041 SEEGLVIFVWQXRI-GOSISDBHSA-N 439.443 4.452 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)c1Br 788568085 FJTAKEMRADYBMQ-LBPRGKRZSA-N 435.278 4.215 5 20 IIBD O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1cc(-c2ccccn2)nc2ccccc12 790644166 UOZJEPKMZSYPAR-UHFFFAOYSA-N 437.419 4.242 5 20 IIBD COc1ccc([C@H]2CCCN2S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cc1 791418036 RRZUPTCEBQTQDS-OAHLLOKOSA-N 431.297 4.436 5 20 IIBD Cc1ccc(OC(F)F)c(COC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 795367327 CXWGBYZLSKHGEA-GOSISDBHSA-N 448.422 4.161 5 20 IIBD O=C(c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O)N1CCCCC[C@@H]1c1ccco1 798173708 YEGQTPCTJMJURD-OAHLLOKOSA-N 430.848 4.490 5 20 IIBD Cc1nn(C)c(C)c1[C@H](OC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])C(F)(F)F 798246232 GCAXUFTWALFWCY-SFHVURJKSA-N 434.374 4.468 5 20 IIBD O=[N+]([O-])c1cc(F)c(S(=O)(=O)Nc2ccc(Br)cc2F)cc1Cl 798246624 GCFWUGBYMPTDAY-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 799052174 FACXMVVEUZAEPT-FTYZYXLQSA-N 445.741 4.412 5 20 IIBD Cc1sc(CC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)nc1C(C)C 803546021 WNUKMNMWIKBXRH-UHFFFAOYSA-N 438.347 4.373 5 20 IIBD COCCC[C@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)c1ccc(Cl)cc1 804127708 PNRDCENIPQGIFT-OAHLLOKOSA-N 437.899 4.394 5 20 IIBD Cc1cc(Br)c(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])cc1Cl 805601406 KWIHMSHSSOZSLQ-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Oc2cccnc2)cc1 807542508 WIEQBFFDLKPIHP-CYBMUJFWSA-N 440.843 4.251 5 20 IIBD Cc1nc(C(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])nn1-c1ccc(F)cc1 811065592 CYNUUOOLZSSDBC-UHFFFAOYSA-N 425.203 4.287 5 20 IIBD O=C(NC[C@@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1)C(F)(F)F 811515085 VKNPPKGFYVFXQT-ZDUSSCGKSA-N 427.448 4.214 5 20 IIBD C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(N2CCCCC2=O)cc1 812386668 ZDDJGDLFWZMYCE-ZDUSSCGKSA-N 446.301 4.365 5 20 IIBD CC(=O)N(c1ccc(Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])cc1)[C@@H]1C[C@H]1C 814944049 JPUCMGYVOXVROQ-JLTOFOAXSA-N 433.468 4.064 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CSc1ccc2c3c(cccc13)CC2 846242609 SIBUUADLZGNEAN-UHFFFAOYSA-N 436.489 4.429 5 20 IIBD Cc1cc(C)n(CCC(=O)Oc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)n1 887559409 UHBWXOKKWGTJDG-UHFFFAOYSA-N 433.420 4.177 5 20 IIBD COc1ccc(OC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)c([N+](=O)[O-])c1 908994797 KVAHWHNWYLIXPA-UHFFFAOYSA-N 425.294 4.166 5 20 IIBD CC(C)c1noc2nc(C3CC3)cc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])c12 915578207 NWJBYCFTCFXJHZ-LBPRGKRZSA-N 438.440 4.316 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)NC(=O)CCSc2ccc(Cl)cc2)cc1[N+](=O)[O-] 916190536 SAFCRJVYFYCVSL-UHFFFAOYSA-N 449.337 4.197 5 20 IIBD O=C(CCCOc1cccc2ccccc12)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 916754385 WEHDUHXCOYLZHO-UHFFFAOYSA-N 448.884 4.066 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1Br 917927129 JABUQFDCOSAKSN-OAHLLOKOSA-N 429.267 4.022 5 20 IIBD CCc1ccc(N2C(=S)N[C@H](c3csc([N+](=O)[O-])c3)C(C(=O)N(C)C)=C2C)cc1 918030550 WAQBTPAHMFVJOL-GOSISDBHSA-N 430.555 4.017 5 20 IIBD C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1OCc1ccccc1 921000934 IIYDXOBYBJFLOA-ZBFHGGJFSA-N 434.876 4.350 5 20 IIBD COc1ccc(-c2nc([C@H](NC(=O)OC(C)(C)C)c3ccccc3)no2)cc1[N+](=O)[O-] 1116061512 YVQMADAYKIJTKZ-QGZVFWFLSA-N 426.429 4.268 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(-c3nnc(CNC(=O)OC(C)(C)C)o3)cc2[N+](=O)[O-])C1 1117243929 MKFUSCREZXALCQ-KBPBESRZSA-N 431.493 4.152 5 20 IIBD C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 1117715346 INMCJAFCCMPKDD-JJXTWPQTSA-N 436.556 4.487 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1CNC(=O)OC(C)(C)C 1251452189 ZUDKJGGPTOPQKG-HNNXBMFYSA-N 445.541 4.417 5 20 IIBD O=C(COC(=O)c1ccc(Cn2cccc2)cc1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1318293244 IAXXTWHFLCKJFE-UHFFFAOYSA-N 447.369 4.259 5 20 IIBD Cc1nn(CCC(=O)N2CC3(CCCC3)c3cc(Br)ccc32)c(C)c1[N+](=O)[O-] 1322522406 LHCHHRPQLDKTPT-UHFFFAOYSA-N 447.333 4.419 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(-c3ccc(Cn4nnc(-c5ccccc5)n4)cc3)o2)s1 1323792697 AVIDLBHRGQAUPS-UHFFFAOYSA-N 431.437 4.075 5 20 IIBD Cc1cc(C(=O)NC2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)CC2)no1 1324732249 HESXNUXKYPWZEV-UHFFFAOYSA-N 426.498 4.014 5 20 IIBD CC(=O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])cc2)CCC1 1792315503 UFTODYZZEXPWGK-NTEUORMPSA-N 449.507 4.357 5 20 IIBD Cc1occc1C(=O)N1CCCC2(CCN(C(=O)c3c(F)ccc([N+](=O)[O-])c3C)CC2)C1 1808312419 LPFUCZNJRCGDOK-UHFFFAOYSA-N 443.475 4.102 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2sccc2Cl)[nH]n1)c1ccc([N+](=O)[O-])o1 1814310430 FUTURIIQEXGYMG-GFCCVEGCSA-N 449.876 4.246 5 20 IIBD C[C@@H]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)n[nH]1 1821166511 XKEWFSQQBRXERN-XVGQJIODSA-N 443.479 4.199 5 20 IIBD Cc1nc2ccccc2c(C)c1CC(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 11196520 JHZOHMXOCFEWTA-UHFFFAOYSA-N 427.844 4.138 5 20 IIBD Cc1ccc(-c2nc(C)sc2CC(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 11217199 JYZLMUJMABXFAK-AWEZNQCLSA-N 439.493 4.448 5 20 IIBD O=C(COC(=O)c1cc(Cl)c(Cl)[nH]1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 11809006 MSFGIHKULYKZMR-UHFFFAOYSA-N 426.134 4.044 5 20 IIBD O=C(COC(=O)COc1ccc(Oc2ccccc2)cc1)Nc1ccc(F)c([N+](=O)[O-])c1 12843681 PNZCDTGYIKLLBP-UHFFFAOYSA-N 440.383 4.087 5 20 IIBD O=C(OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1csc(-c2ccc(Cl)cc2)n1 16557038 OEROBBVGLOJBJU-UHFFFAOYSA-N 443.868 4.118 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 17727640 BYODIVPXHABYPE-RYUDHWBXSA-N 444.425 4.338 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N(C)CCOc3ccc(Cl)cc3)cc2)c(C)c1[N+](=O)[O-] 18010010 BTNMVHIHDHXIOP-UHFFFAOYSA-N 442.903 4.261 5 20 IIBD O=C(OCc1cccc(COC(=O)c2ccc([N+](=O)[O-])s2)c1)c1ccc([N+](=O)[O-])s1 21086109 FYBMUIMWSYICPQ-UHFFFAOYSA-N 448.434 4.340 5 20 IIBD COc1ccc(C2=NN(C(=O)COc3cc(C)ccc3[N+](=O)[O-])[C@H](c3ccco3)C2)cc1 24542634 BHRMQHJPKBHLIX-FQEVSTJZSA-N 435.436 4.262 5 20 IIBD O=C(c1cccc(F)c1)N1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 25228337 GWYMUVUNDNHAQF-UHFFFAOYSA-N 448.454 4.076 5 20 IIBD O=C(NCc1ccc(OCc2cccc(F)c2)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 30281206 SOBMAXSLEONXDN-UHFFFAOYSA-N 438.411 4.014 5 20 IIBD COc1cc(C(=O)NCc2ccc(CN3C[C@@H](C)C[C@@H](C)C3)cc2)c([N+](=O)[O-])cc1OC 59410391 DHVRWBCIIDSKBL-CALCHBBNSA-N 441.528 4.020 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)cc1C 60443610 XTJPDQLGBRNXAU-UHFFFAOYSA-N 445.541 4.417 5 20 IIBD COc1ccc([C@H](NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c2ccc(F)cc2)cc1 63472759 CAHBMITUXVMXOA-XMMPIXPASA-N 435.455 4.011 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])c1ccc(COc2ccc(Br)cc2)o1 107959045 HGZDRDPWZDVGLV-UHFFFAOYSA-N 431.242 4.459 5 20 IIBD COc1ccc(-c2nc(CNC(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)n[nH]2)cc1 110978069 HOHNUFLZTGLHRZ-UHFFFAOYSA-N 445.435 4.111 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NCc2ccc(Br)c(F)c2)c([N+](=O)[O-])c1 301078866 HLGIIAJUUHTLFS-UHFFFAOYSA-N 433.237 4.073 5 20 IIBD Cc1nc(Sc2nnc(N3C[C@H](C)C[C@@H](C)C3)n2Cc2ccco2)ccc1[N+](=O)[O-] 301642743 MTHQMEOFDSLMDR-ZIAGYGMSSA-N 428.518 4.165 5 20 IIBD CC(C)n1cnc(C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)c1 409479571 MAIKMCBZHONJOT-UHFFFAOYSA-N 439.541 4.059 5 20 IIBD Cc1ccc2nc(CNC(=O)c3ccc(N[C@@H](C)c4ccccn4)c([N+](=O)[O-])c3)cn2c1 410068399 FXAOTGWUSXVBFY-INIZCTEOSA-N 430.468 4.049 5 20 IIBD C[C@H]1CN(Cc2ccc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2)C[C@H](C)O1 410367813 LDBOMFYQFUBTNT-GJZGRUSLSA-N 432.908 4.179 5 20 IIBD Cc1ccnc(OC2CCN(C(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC2)c1 426279734 WFQZQVJFWHFCAE-UHFFFAOYSA-N 438.406 4.070 5 20 IIBD O=C(O)c1ccc(N2CCC(NCc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)cc1 426660671 AMFMDBHTJYCCKV-UHFFFAOYSA-N 438.509 4.175 5 20 IIBD C[C@H](O)CN(C)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2 428675916 XINGCNOVUVKXIK-KXGFGANYSA-N 431.492 4.473 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 429348578 JPHWBNFCEDASLW-HXUWFJFHSA-N 443.569 4.116 5 20 IIBD C[C@@H](C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1OCCc2sccc21 431025115 XNQOJDFPCRCUMO-PIGZYNQJSA-N 443.447 4.153 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])Nc1cccc(Oc2ncc(Br)cn2)c1 431794778 BTDKPUBHONAFNY-UHFFFAOYSA-N 444.245 4.261 5 20 IIBD CCCc1c(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cnn1-c1ccc(C)cc1 432547491 AJTPDOJWVRMODB-UHFFFAOYSA-N 430.468 4.479 5 20 IIBD CN(C)c1cc(Br)cc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c1 432709467 QDRYYIGCJDCIKI-UHFFFAOYSA-N 430.205 4.277 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c1C 435221733 CTERIBBYMZWYKU-LBPRGKRZSA-N 449.476 4.255 5 20 IIBD Cc1cc(C)n2nc(C(=O)Nc3cc([N+](=O)[O-])ccc3Sc3cccs3)nc2n1 435448058 JLGVKTOIQVMKPV-UHFFFAOYSA-N 426.483 4.114 5 20 IIBD O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 436086290 VYKWKZQTFVLLRY-UHFFFAOYSA-N 429.451 4.309 5 20 IIBD CCOC(=O)[C@@H](C)NC(=O)c1ccc(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 437243643 JAVUGVBYOMWIIC-OAHLLOKOSA-N 437.452 4.148 5 20 IIBD CCN(Cc1ccccc1NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C(C)=O 437918341 RETZWIJPFWKNPV-UHFFFAOYSA-N 440.500 4.039 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 439104755 ATWHLZKEIXSDFN-IBGZPJMESA-N 425.485 4.279 5 20 IIBD Cc1ccc(Sc2nsc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)n2)cc1 440313750 GYBKSQATQIJZCT-UHFFFAOYSA-N 438.494 4.344 5 20 IIBD Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccc4cc([N+](=O)[O-])ccc4n3)c12 440623255 JPIVLDFNPZIDLS-UHFFFAOYSA-N 438.447 4.652 5 20 IIBD COc1ccc(O[C@@H](C)CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc1 444092485 DVAFMAPITGQFNH-ZDUSSCGKSA-N 438.430 4.165 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N1CCC(c2nc3ccccc3s2)CC1 446904525 MHRYSUMUNLSVTG-UHFFFAOYSA-N 436.497 4.170 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 447505823 GGYHDMIVFMTVLQ-AOMKIAJQSA-N 431.558 4.354 5 20 IIBD Cc1cc(C)n(-c2ccc(CNc3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])cn2)n1 447694426 RKVUBCSDOLUHPV-UHFFFAOYSA-N 442.348 4.454 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ncc(-c2ccc(Cl)cc2)s1 461080499 CIRVFQYVZWPKJE-UHFFFAOYSA-N 430.873 4.130 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H](c1ccccc1)c1ccccn1 462472764 IQBCQVHVOKVROX-KRWDZBQOSA-N 438.292 4.365 5 20 IIBD C[C@@H](c1ccccc1)N1CC[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 462558735 VXXUZEBJQKMJJR-SWLSCSKDSA-N 444.340 4.015 5 20 IIBD C[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 462649757 VXJFNGCAZZOSEL-GOSISDBHSA-N 445.475 4.110 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@H]3CCO[C@H](c4ccccc4)C3)cc2)c(C)c1[N+](=O)[O-] 462910668 DMFMVSSGTRAYEU-VXKWHMMOSA-N 434.496 4.107 5 20 IIBD CNc1c(C(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)cccc1[N+](=O)[O-] 462983588 ALVOVJRNAPUTBE-UHFFFAOYSA-N 441.491 4.478 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCN(Cc2c(F)cccc2Cl)CC1 463463584 FQACFXNSXDTAGX-UHFFFAOYSA-N 445.800 4.364 5 20 IIBD O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464637208 IODBHJHHBVACFS-LJQANCHMSA-N 441.503 4.016 5 20 IIBD C[C@H](CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Oc1cccc(Cl)c1 466195792 HVBAQHSEDYOEGC-OAHLLOKOSA-N 433.892 4.269 5 20 IIBD O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 466257760 SEEZQKBYKHKLRL-IERDGZPVSA-N 448.928 4.467 5 20 IIBD O=C(N[C@H]1CCCc2sccc21)c1ccc([N+](=O)[O-])cc1I 466265385 RSQRUYSKJJLCDN-ZDUSSCGKSA-N 428.251 4.068 5 20 IIBD O=C(NCCSCCOc1cccc(Br)c1)c1ccc(F)cc1[N+](=O)[O-] 467100599 JZKDYVNTCKTMOH-UHFFFAOYSA-N 443.294 4.038 5 20 IIBD CO[C@H]1CCOc2c(NC(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)cccc21 468683681 QTGOBIKUOCPRRH-FQEVSTJZSA-N 436.468 4.179 5 20 IIBD CN(Cc1ccccc1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1ccccc1 469341229 ZDXONPUPLCSTAA-UHFFFAOYSA-N 428.452 4.064 5 20 IIBD CCOc1cc(Cl)ccc1NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 469490991 AFQDLTCELKVIFS-GOSISDBHSA-N 431.876 4.199 5 20 IIBD CC[C@H]1CN(C(=O)c2cc(OC)c(OCCOC)cc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 470011017 FKDSIMRPMOQTBQ-HKUYNNGSSA-N 442.512 4.285 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 470602003 NHBGGLUIDVIRFD-IFXJQAMLSA-N 449.429 4.486 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N(Cc1ccccc1)Cc1ccccc1F 472715262 PKGVLDZJNNUJOI-UHFFFAOYSA-N 425.391 4.041 5 20 IIBD COc1ccc(CNC(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)cc1[N+](=O)[O-] 473781343 MXTTYWSDBPICMF-UHFFFAOYSA-N 435.362 4.130 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 479626532 YBWOKHXJKKRDGE-GWCFXTLKSA-N 430.452 4.328 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 479635495 CRFKOQJFOAVITM-KRWDZBQOSA-N 447.495 4.356 5 20 IIBD CCC(=O)c1ccc(NC2CCN(c3ccc(S(=O)(=O)CC)cc3)CC2)c([N+](=O)[O-])c1 479950816 AVBUGNMYKKCHGT-UHFFFAOYSA-N 445.541 4.062 5 20 IIBD Cc1c(CNC(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)cccc1[N+](=O)[O-] 480058176 MUKYJCOQTKZBOP-SFHVURJKSA-N 426.521 4.158 5 20 IIBD COc1cc(CCNC(=O)N[C@@H](c2cccc(C)c2)C(F)(F)F)c([N+](=O)[O-])cc1OC 482041899 MZXXYMSFMJTFEV-SFHVURJKSA-N 441.406 4.066 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(-c2ccc(Br)s2)nn1 484591176 PRAPKUCXIGIIMM-UHFFFAOYSA-N 449.286 4.283 5 20 IIBD O=C(NC1CCCCC1)C1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 485398601 LSYMFINHISDMEV-UHFFFAOYSA-N 426.492 4.461 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N1CCN(C2CC2)c2ccc(F)cc21 485765322 DZAPPTQPUOLBJU-UHFFFAOYSA-N 426.267 4.187 5 20 IIBD CCc1nc2c(s1)[C@@H](N(C)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C)CCC2 486875990 YCCWXDDTEQWJQC-HNNXBMFYSA-N 432.502 4.250 5 20 IIBD C[C@@H](NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)C(=O)NCc1ccccc1 487232928 KYONOAAFLBWXSV-MRXNPFEDSA-N 435.505 4.181 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC2(CC1)OCCc1ccsc12 487352612 IXQFEXFIIWEJOW-UHFFFAOYSA-N 441.534 4.484 5 20 IIBD C[C@@H](c1nccn1-c1ccccc1)S(=O)(=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 488808941 VRAAARAEULHXSA-HNNXBMFYSA-N 438.465 4.112 5 20 IIBD O=C(Nc1ccc2nc(Cc3ccccc3)oc2c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 488911986 GMGWGSUFDUCMOR-UHFFFAOYSA-N 446.467 4.392 5 20 IIBD COC(=O)c1cc(NC(=O)c2occc2CN2c3ccccc3C[C@@H]2C)c(C)c([N+](=O)[O-])c1 489752590 KNKIPQLTJKMJDV-AWEZNQCLSA-N 449.463 4.486 5 20 IIBD COC(=O)c1cc(NC(=O)c2cccnc2OCc2ccccc2F)c(C)c([N+](=O)[O-])c1 489765210 XAMMCTLOSOZURU-UHFFFAOYSA-N 439.399 4.055 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](c1ccccc1OC(F)F)C(F)(F)F 491408508 DWMOUDUMNNPFKQ-INIZCTEOSA-N 433.333 4.336 5 20 IIBD C[C@H]1[C@@H](NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CCN1Cc1ccccc1 494061217 VCCXOFVCWYXOQZ-AOMKIAJQSA-N 429.495 4.213 5 20 IIBD O=C(CCC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)N1CCSc2ccccc21 498158757 AJDYEZCZRZBFPS-OAQYLSRUSA-N 443.550 4.088 5 20 IIBD CC(C)(C(=O)Nc1ccn(-c2ccc(Br)cc2)n1)c1ccccc1[N+](=O)[O-] 498852312 HJEBBIMBLVSTQQ-UHFFFAOYSA-N 429.274 4.459 5 20 IIBD O=C(Nc1cc(Cl)ccc1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1ccco1 499172900 GWYGTZKPKLAZJG-UHFFFAOYSA-N 449.872 4.078 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC1(Cc2ccc(F)cc2)CCOCC1 499263204 VWHOWXGEGMLLLP-UHFFFAOYSA-N 438.908 4.388 5 20 IIBD COCCOc1ccc([C@@H](C)NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1OC 499940170 QJHRVAJEBYGTMW-OAHLLOKOSA-N 430.501 4.417 5 20 IIBD C[C@@H]1CN(Cc2ccccc2NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 501416477 FPEAIWBKWOZVCZ-BRWVUGGUSA-N 429.542 4.323 5 20 IIBD O=C1CC2(CCCCC2)Oc2cc(OCC(=O)N3CCc4ccc([N+](=O)[O-])cc43)ccc21 502307552 XNVQTZRRUHFJPD-UHFFFAOYSA-N 436.464 4.231 5 20 IIBD Cn1cnnc1Sc1ccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1Cl 503681721 SEJNICKMMSYXJM-UHFFFAOYSA-N 446.920 4.359 5 20 IIBD CC(C)(NC(=O)NCc1ccc(COC2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1 506019418 KTSHWZMHIZPTRX-UHFFFAOYSA-N 427.501 4.025 5 20 IIBD COc1cc(C(=O)N2CCCC[C@@H]2c2ncc(-c3ccccc3)[nH]2)cc([N+](=O)[O-])c1OC 507289185 DTZSTHQDYVHEGX-GOSISDBHSA-N 436.468 4.370 5 20 IIBD COCCSc1ccc([C@@H](C)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 507448067 ASDSITCRWRMGJT-GFCCVEGCSA-N 430.935 4.026 5 20 IIBD O=C(NCC1(c2ccc(F)cc2)CCOCC1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 510625398 UTPWBZXHTCACAB-UHFFFAOYSA-N 439.390 4.205 5 20 IIBD COc1cc(C(=O)N[C@H]2CCc3n[nH]cc3C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 510989925 DMFGBBPXKRGZGL-HNNXBMFYSA-N 442.859 4.060 5 20 IIBD Cc1ccc(NCCCNC(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])c1 511372566 JDOHZQFELKYLLF-NQIIRXRSSA-N 426.517 4.172 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1OC 511680404 ILAOKZHCXLZDEB-BPUTZDHNSA-N 434.455 4.021 5 20 IIBD COCc1nc(CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c(-c2ccccc2)s1 512622688 BZHVFFSOWMONHI-UHFFFAOYSA-N 440.525 4.249 5 20 IIBD CCC[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(=O)Nc1cccc(N2CCCC2)c1 513954742 LZKWQTROXAPWEZ-FQEVSTJZSA-N 439.516 4.432 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccccc3N3CCCC3=O)cc2[N+](=O)[O-])C1 514056164 YISLLTSFWIDSKY-IRXDYDNUSA-N 436.512 4.456 5 20 IIBD COC(=O)c1ccc(CN(C)C(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1 516101043 LVWBUJPVAVTNCU-CALCHBBNSA-N 439.512 4.136 5 20 IIBD COc1cc(C)c([C@@H](C)NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1OC 517635858 HNURYIQHIXFRTM-GFCCVEGCSA-N 442.390 4.353 5 20 IIBD Cc1c([C@H](C)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cnn1-c1ccc(F)cc1 519137238 IWIYEZQPBCEXGO-HNNXBMFYSA-N 437.475 4.319 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 520966105 NRTMMOBMNNFOOL-SECBINFHSA-N 439.280 4.248 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1sc2c(c1C(=O)c1ccccc1)CC[C@@H](C)C2 520971554 ZQZPUWSTALWEDM-CYBMUJFWSA-N 438.509 4.156 5 20 IIBD Cc1ccc(NC(=O)N[C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)cc1[N+](=O)[O-] 523201296 PKAXPQCITSFEKS-INIZCTEOSA-N 425.489 4.042 5 20 IIBD O=C(Nc1ccnn1[C@H]1CCCc2ccccc21)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 523706221 ZHDOUWRYNVKFPG-NRFANRHFSA-N 428.452 4.155 5 20 IIBD CC[C@H](C)[C@@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 524106444 NPHLAQNOBWXBCJ-KSFYIVLOSA-N 438.528 4.287 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 524336665 YQWFJPYELSVXER-UHFFFAOYSA-N 438.311 4.449 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(Br)cnc2OCC(F)(F)F)c1 524665450 VXLQAYZFUVFDFI-UHFFFAOYSA-N 434.168 4.254 5 20 IIBD COc1cc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc([N+](=O)[O-])c1OC 525043464 BDLKAFCYKNNWAG-UHFFFAOYSA-N 439.449 4.412 5 20 IIBD Cc1ccnc(-c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Br)cc2)n1 531264029 HAFFNQHAXXRKNG-UHFFFAOYSA-N 427.258 4.304 5 20 IIBD COc1ccc([N+](=O)[O-])c(NCc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1 531881952 PWKJYBZINRKPRZ-UHFFFAOYSA-N 431.445 4.155 5 20 IIBD CN1CC[C@@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 534224893 UZQQYVCDZKYHNQ-SGTLLEGYSA-N 426.275 4.464 5 20 IIBD COc1ccc(-c2ccc(CNC[C@H]3CC(=O)N(Cc4ccccc4)C3)o2)c([N+](=O)[O-])c1 535368947 RAAPECDNRYTMLJ-GOSISDBHSA-N 435.480 4.002 5 20 IIBD COc1cc(C(=O)NCCc2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1ccccc1 536237981 JJUXYRRYKQISSI-UHFFFAOYSA-N 436.464 4.164 5 20 IIBD COc1cc(CCNC(=O)N[C@@H]2CCCOc3cc(Cl)ccc32)c([N+](=O)[O-])cc1OC 537256177 SLOWXJBKIGIARK-MRXNPFEDSA-N 449.891 4.021 5 20 IIBD O=C(NC1CCCCC1)N1CCC(N[C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 537974500 FKZBZWSVUFNPKR-AVRDEDQJSA-N 428.577 4.402 5 20 IIBD CCN(CCC1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1)CC(C)C 539136939 DTJNAYNAYJFSKK-UHFFFAOYSA-N 427.549 4.001 5 20 IIBD Cn1cc(CNCCc2nc3ccccc3n2C(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 540803168 JVHIIIPGKDCCMX-UHFFFAOYSA-N 426.427 4.072 5 20 IIBD O=[N+]([O-])c1cccc2ncnc(NC[C@H]3CCN(c4cccc(Br)c4)C3)c12 541591729 WBSRIGQJDRYQHZ-CYBMUJFWSA-N 428.290 4.239 5 20 IIBD Cc1nc(-c2ccccc2F)sc1[C@@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 541739091 ULKGRARTQAJHIM-CYBMUJFWSA-N 449.529 4.290 5 20 IIBD O=C(NC1CCCCC1)C1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 542237091 MJSUUANRRDOZAW-UHFFFAOYSA-N 439.965 4.028 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)NCc1cccc(NC(=O)c2ccc(C)cc2)c1 542279636 CFOJYECAGBFTDT-UHFFFAOYSA-N 448.479 4.164 5 20 IIBD COc1ccc(NC(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)cc1[N+](=O)[O-] 542959895 YTCXCHRDFYGKBF-UHFFFAOYSA-N 426.473 4.444 5 20 IIBD C[C@H](Cc1cc(Br)ccc1F)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] 543977846 PIHOYMFIZLJWPE-MRVPVSSYSA-N 437.312 4.005 5 20 IIBD C[C@@H]1CCCN1C(=O)c1ccc(-c2noc(-c3ccn(-c4cccc([N+](=O)[O-])c4)n3)n2)cc1 545851233 YJVXMPOUDCQDEW-OAHLLOKOSA-N 444.451 4.122 5 20 IIBD O=C1c2cccc3cccc(c23)C(=O)N1CCCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 546259703 DRZZJJNLYJCKFC-UHFFFAOYSA-N 428.404 4.027 5 20 IIBD O=[N+]([O-])c1cnn(Cc2nc(-c3ccc(Oc4cccc(Cl)c4Cl)nc3)no2)c1 546542273 YDKQWWNDKXLUSG-UHFFFAOYSA-N 433.211 4.384 5 20 IIBD Cc1cc(CCCC(=O)N2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)c(C)s1 546745927 VWIMYVVBIIBDNY-UHFFFAOYSA-N 441.557 4.211 5 20 IIBD O=C(N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1cc2c(cc1[N+](=O)[O-])OCO2 547337851 QHJSKLKZHMRRGT-CQSZACIVSA-N 441.440 4.394 5 20 IIBD COCC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccc(Cl)c(Cl)c1 551722783 PIWHQIRQNLXWTL-MRXNPFEDSA-N 442.299 4.216 5 20 IIBD COc1ccc([C@H](C)NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c(C)c1OC 554407866 ZRWHLQJGAQCLHY-NSHDSACASA-N 425.388 4.405 5 20 IIBD COc1cc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc(Br)c1OC 555885373 OBDTYNQAAQSHMN-UHFFFAOYSA-N 435.274 4.179 5 20 IIBD O=C(NCc1ccc(Oc2ccccc2)cc1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 556217271 YVWHJALBHIJITI-UHFFFAOYSA-N 445.475 4.195 5 20 IIBD COc1cc(OCC(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)ccc1[N+](=O)[O-] 557985870 UNOPXOLVAQVKBW-UHFFFAOYSA-N 427.432 4.009 5 20 IIBD CC(C)(C(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1ccccc1[N+](=O)[O-] 559836896 LASBFEKUPROZTQ-CQSZACIVSA-N 437.418 4.166 5 20 IIBD CCOc1ccc([C@H](C)NC(=O)CCCNc2ncnc3sc([N+](=O)[O-])cc23)cc1 561221550 GCULRPGJVQHASA-ZDUSSCGKSA-N 429.502 4.068 5 20 IIBD Cc1ccnc(OC2CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3CC(C)C)CC2)c1 564352445 XQZOXVBTWPYFEQ-UHFFFAOYSA-N 436.516 4.261 5 20 IIBD O=C(N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)c1cc([N+](=O)[O-])c[nH]1 592953693 ZQJYNOSHFXXHBS-KRWDZBQOSA-N 429.358 4.337 5 20 IIBD CC(C)N(Cc1cc(Br)ccc1F)C(=O)COc1ccc([N+](=O)[O-])cc1 603526403 IIRNQVQKARYUCL-UHFFFAOYSA-N 425.254 4.312 5 20 IIBD CCCN(C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)[C@H]1CCc2ccccc21 603528449 PGWOYDITPCJZAO-SFHVURJKSA-N 437.525 4.414 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 603959561 NACKHELHEUGYAG-QWRGUYRKSA-N 428.329 4.389 5 20 IIBD CCC(C)(C)NC(=O)c1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 603985594 WQMXQYKQWUBBEG-UHFFFAOYSA-N 438.528 4.368 5 20 IIBD CCCNC(=O)c1ccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1 604005920 MVMNXDYDVLRJOC-CALCHBBNSA-N 438.528 4.469 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccccc2COCc2ccccc2)c(Cl)c1 604031777 LKOLVBIRFGMBLG-UHFFFAOYSA-N 446.912 4.444 5 20 IIBD CN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@H]1CCCN(c2ccccc2)C1 604262740 IIUOYRIWSPCUDK-NRFANRHFSA-N 425.532 4.282 5 20 IIBD CC(C)Oc1ncccc1CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 604309093 DRYGKIOJGBKTEB-MRXNPFEDSA-N 435.484 4.275 5 20 IIBD CN(Cc1nnc2ccccn12)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 604539592 TYXCRJYDHWIBKZ-UHFFFAOYSA-N 437.843 4.355 5 20 IIBD C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 608896451 YYNPYEKGPWAAAX-LLVKDONJSA-N 426.347 4.181 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)N2CCC3(CC2)CC3)cc([N+](=O)[O-])c1C 609477030 YNVKYWGBXOPUID-UHFFFAOYSA-N 443.525 4.029 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(Cn2cnc3ccccc32)cc1 610032129 DQJHUXUSTJZTHC-UHFFFAOYSA-N 442.884 4.447 5 20 IIBD O=C(NCc1ccc(OC2CCCCC2)nc1)c1ccc([N+](=O)[O-])cc1Br 610043326 FXVLDRGPWUIWSA-UHFFFAOYSA-N 434.290 4.394 5 20 IIBD O=C(NCc1ccnc(OC2CCCCC2)c1)c1ccc([N+](=O)[O-])cc1Br 610043561 RDIHAWZKUVXUCT-UHFFFAOYSA-N 434.290 4.394 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cc(C(C)C)nn2-c2ccc(C)cc2)c([N+](=O)[O-])c1 610105756 PLOBBLITPHJGRK-UHFFFAOYSA-N 430.486 4.022 5 20 IIBD COc1cc(C(=O)NCC2(N[C@H](C)c3ccccc3)CCCC2)cc([N+](=O)[O-])c1OC 610198135 XYAMPEXZTXYBNM-MRXNPFEDSA-N 427.501 4.005 5 20 IIBD COc1cc(CCNC(=O)c2ccccc2NCc2ccccc2)c([N+](=O)[O-])cc1OC 611198652 OPVDEVJNGXCQEY-UHFFFAOYSA-N 435.480 4.197 5 20 IIBD COc1ccc2c(ccn2Cc2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)c1 612956083 QCQGYBZEIKOYTD-UHFFFAOYSA-N 443.257 4.343 5 20 IIBD O=C(Cc1ccc(Br)c(Cl)c1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 615911533 BQUUZRPJKDJUNG-UHFFFAOYSA-N 441.665 4.353 5 20 IIBD COC(=O)c1cnc(NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c([N+](=O)[O-])c1 616176799 PWCSTDMFIVTKDR-UHFFFAOYSA-N 447.426 4.380 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(Cc1ccccc1F)c1ccc(F)cc1 619483145 UJIJVUZPDWGFDH-UHFFFAOYSA-N 434.420 4.277 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc(CCc2ccccc2)ccc1O 726044768 RXODHTJOBASVTG-UHFFFAOYSA-N 445.431 4.493 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cnc(Cc2ccc(F)cc2)s1 727218565 PHVLOOVBMBHMAK-UHFFFAOYSA-N 440.412 4.188 5 20 IIBD C[C@H](OC(=O)c1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(CSc2ccccn2)c1 733385891 QHDULNFZQRZXTQ-HNNXBMFYSA-N 437.477 4.466 5 20 IIBD C[C@@H](OC(=O)c1ccc2nc(C(F)F)[nH]c2c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 733538856 SEAQESRKOTTYCY-MRVPVSSYSA-N 438.774 4.246 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1ccccc1SCC(=O)N1CCCC1 735643669 GGNNYOWGUHPRAP-UHFFFAOYSA-N 434.901 4.490 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)Cc1csc(NC(=O)c2ccoc2C)n1 735645942 QRZKVQAHUDJTTO-UHFFFAOYSA-N 435.845 4.315 5 20 IIBD COc1ccc([C@@H]2[C@H](COC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)CCN2C)cc1 735904479 OWDVKHFNVSANFY-HZUJVAHNSA-N 430.526 4.320 5 20 IIBD C[C@H](OC(=O)C1(NC(=O)OC(C)(C)C)Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 736002174 XWTJOWBGIGYLIH-HNNXBMFYSA-N 426.469 4.261 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O[C@@H]1CCN(c2ccc(Cl)cc2)C1=O 740236905 DWFOVHNHIMOXAF-APPDUMDISA-N 439.251 4.018 5 20 IIBD COc1c([N+](=O)[O-])cc(NC[C@@H](C)Oc2ccccc2C)c([N+](=O)[O-])c1Br 742422232 WLBWCJZPUIFVDG-LLVKDONJSA-N 440.250 4.462 5 20 IIBD CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC1 742874234 MBCQMSIKPRYRQQ-UHFFFAOYSA-N 447.532 4.002 5 20 IIBD Cc1ccc(OC(=O)CSc2ccc([N+](=O)[O-])cc2)c(I)c1 745971477 ZQRYZNOJGIOJNA-UHFFFAOYSA-N 429.235 4.206 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 746241853 POLAHQNAFJFIRT-OFNKIYASSA-N 441.503 4.065 5 20 IIBD O=C(CCC(=O)N1CCCS(=O)(=O)CC1)c1ccc2ccc3cccc4ccc1c2c34 746245531 SIQPENYRUDKIOU-UHFFFAOYSA-N 433.529 4.194 5 20 IIBD O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 746861790 KWIFAQWDDLOVIQ-UHFFFAOYSA-N 444.369 4.191 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 746905492 FJPRQUOZOLCXOK-INIZCTEOSA-N 427.360 4.410 5 20 IIBD C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 747319060 MZIJYRIFQUVKEP-JKSUJKDBSA-N 431.920 4.349 5 20 IIBD Cc1noc(Cl)c1CCC(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 748705209 BSPDAKRUMJMYEI-UHFFFAOYSA-N 429.816 4.335 5 20 IIBD C[C@@H](OC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O)c1ccccc1[N+](=O)[O-] 749059987 UOWJRTGYSZMJTD-CQSZACIVSA-N 435.461 4.338 5 20 IIBD CC(C)CS(=O)(=O)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 749071900 VZDIHHAOYFPNBZ-UHFFFAOYSA-N 428.919 4.115 5 20 IIBD O=C(NCc1ccc(OCC2CC2)nc1)c1cc(Br)cc([N+](=O)[O-])c1Cl 749420404 SBBLYQJJZOSLKK-UHFFFAOYSA-N 440.681 4.125 5 20 IIBD Cc1c(C(=O)OCc2cn3cc(Cl)cc(Cl)c3n2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 750135185 QCGDTGJSDOGOJR-UHFFFAOYSA-N 425.184 4.123 5 20 IIBD O=C(OCCCOCCc1ccccc1)c1cc([N+](=O)[O-])c(Br)cc1F 751691015 GUSAVWANRYBYNP-UHFFFAOYSA-N 426.238 4.303 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)OCc2cccc(SC(=O)N(C)C)c2)cc1OC 752532925 XXTJISSOKFEWTM-UHFFFAOYSA-N 434.470 4.133 5 20 IIBD O=C(NC[C@H](c1cccs1)N1CCCC1)c1cc(F)cc([N+](=O)[O-])c1Br 754639412 GEOHPEXJAOLZNW-CQSZACIVSA-N 442.310 4.125 5 20 IIBD COc1ccccc1N1CC[C@@H](CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 755026149 SKMIBMMIQCDQFS-ZDUSSCGKSA-N 449.305 4.014 5 20 IIBD CCOc1cc(COC(=O)c2occc2CN2C(=O)Cc3ccccc32)ccc1[N+](=O)[O-] 755556078 SODVWAUHXJQKTD-UHFFFAOYSA-N 436.420 4.033 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(=O)n(Cc2ccccc2Cl)c1 756989402 PPKOOTJDZXNDLV-UHFFFAOYSA-N 432.263 4.042 5 20 IIBD Cc1coc(-c2cccc(NS(=O)(=O)c3cc(Br)ccc3[N+](=O)[O-])c2)n1 758452380 QFOWOCIFPVFEHB-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1cnn(-c2ccccc2)c1Br 759644798 XWUYPTYDDHZYLO-UHFFFAOYSA-N 443.213 4.041 5 20 IIBD Cc1nccn1-c1ccc(-c2noc(Cn3c4ccccc4c(=O)c4ccccc43)n2)cn1 761917228 WPQBNYRIKKRGHY-UHFFFAOYSA-N 434.459 4.142 5 20 IIBD Cc1cc(-c2cc(C(=O)OCCn3c([N+](=O)[O-])cnc3C)c3c(C)noc3n2)c(C)s1 765925884 GVEZBNGMWQRKAK-UHFFFAOYSA-N 441.469 4.147 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)O[C@H]2CCc3sc(Cl)cc32)cc1[N+](=O)[O-] 766540322 PBCFVBCNODJCNG-LBPRGKRZSA-N 436.902 4.434 5 20 IIBD CC(=O)[C@@H](Cc1ccc(F)cc1F)OC(=O)Cn1c2ccccc2c(=O)c2ccccc21 768544750 VRVFDNDZMCSMDT-HSZRJFAPSA-N 435.426 4.176 5 20 IIBD O=C(Nc1cc2c(cc1Br)OCCO2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 768958034 WCVWWCXIVIZESI-UHFFFAOYSA-N 448.273 4.325 5 20 IIBD C[C@H](NC1(CNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CCOCC1)c1ccccc1 770003598 QKUTZVCVYBSODY-HNNXBMFYSA-N 432.908 4.270 5 20 IIBD C[C@H](OC(=O)c1cccc(OCC(F)(F)F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 770135182 OVVNHLSPMOFCTK-JTQLQIEISA-N 446.765 4.373 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCn2c(cc3c(Cl)cccc32)C1 770188700 MRDQZSJDSKXOOO-UHFFFAOYSA-N 441.843 4.219 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)C2(C)CCN(Cc3ccccc3)CC2)cccc1[N+](=O)[O-] 772723538 JGOQAOOPJJZQJE-GOSISDBHSA-N 439.512 4.076 5 20 IIBD CSc1cccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)c1[N+](=O)[O-] 776784793 SLWGXYAGGZIJNG-UHFFFAOYSA-N 429.376 4.430 5 20 IIBD CC(C)C(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc1 778164396 APQNTPTXIXZZBA-CYBMUJFWSA-N 434.395 4.096 5 20 IIBD O=C(OCc1ccc(CO)cc1)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 778744756 XVLRHUHCYAWCTR-UHFFFAOYSA-N 425.824 4.329 5 20 IIBD CNc1ccc(C(=O)OCC(=O)N(C)C(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 780081382 SVUMCPZSGISWEC-UHFFFAOYSA-N 433.464 4.041 5 20 IIBD Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc1C(=O)N(C)C(C)C 782474685 LDEORVDUHUBWGD-UHFFFAOYSA-N 439.921 4.146 5 20 IIBD CC(C)[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)[C@H](O)c1ccccc1 790432580 WTTQSUYTAQJJLT-DLBZAZTESA-N 441.709 4.499 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)CCc1ccccc1NC(=O)OC(C)(C)C 790542845 RLOHSCRFIDUEQP-UHFFFAOYSA-N 429.473 4.199 5 20 IIBD CCCN1CCN(c2ccc(NC(=O)c3c(OCC)cccc3[N+](=O)[O-])cc2Cl)CC1 791541637 JRJURLXWYPEIBQ-UHFFFAOYSA-N 446.935 4.431 5 20 IIBD Cc1cc(O)nc(-c2cccc(OC(=O)c3cc([N+](=O)[O-])cc(Br)c3C)c2)n1 793156653 AVKIHTGPSXVUDC-UHFFFAOYSA-N 444.241 4.356 5 20 IIBD Cc1cc(OCC(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)ccc1[N+](=O)[O-] 797436335 HNMPUWUKCOCSSE-UHFFFAOYSA-N 425.485 4.325 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1 801950550 MDTBXHCPLNARMH-OAHLLOKOSA-N 426.217 4.195 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@@H]1CCc2cc(Cl)ccc21 803256149 FUAZMBUKCBUMCD-RTBURBONSA-N 448.928 4.330 5 20 IIBD CC(C)(C(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)N1CCCC1 805616850 LZIRNZOTURIWOW-IBGZPJMESA-N 445.903 4.346 5 20 IIBD CCOc1ccc([C@@H](O)C2CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)CC2)cc1 812676777 WKVLCZAJCAFXPW-JOCHJYFZSA-N 426.513 4.243 5 20 IIBD O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 813306263 WLCGNHMEFHGABA-ZNAOMFPMSA-N 428.510 4.483 5 20 IIBD CC(C)(C)OC(=O)N1CCC(c2cnc(NC(=O)c3c(N)cccc3[N+](=O)[O-])s2)CC1 813611512 YHFMSSQQGZOFIJ-UHFFFAOYSA-N 447.517 4.000 5 20 IIBD O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 813847107 SJQZXOSXEPNSQP-MRXNPFEDSA-N 430.766 4.361 5 20 IIBD O=[N+]([O-])c1ccc(N2CC3(CCC3)[C@H]2c2ccccc2)c(S(=O)(=O)N2CCCC2)c1 814372429 NMZHLNMKZHZPAA-OAQYLSRUSA-N 427.526 4.111 5 20 IIBD COc1ccc(C(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)nc1Br 815231933 ONJUSQSPUULLAN-UHFFFAOYSA-N 435.152 4.137 5 20 IIBD COc1ccc(CN(C)C(=O)[C@@H](OC(=O)c2cc([N+](=O)[O-])ccc2Cl)C(C)C)cc1 877043174 HHZBKKDWGWRANC-IBGZPJMESA-N 434.876 4.097 5 20 IIBD CCCCCCn1nc(C(=O)Oc2ccc(OC)cc2[N+](=O)[O-])c2ccccc2c1=O 899565333 ZGPAALSOOQCXFA-UHFFFAOYSA-N 425.441 4.113 5 20 IIBD COCCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H](C)c1cccc(C(F)(F)F)c1 914516074 LIOBHVLGCJGZNN-GFCCVEGCSA-N 441.362 4.372 5 20 IIBD C[C@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(Cc2cc([N+](=O)[O-])ccc2Cl)C1=O 915665147 AXSCROGGVSCBCN-QGZVFWFLSA-N 427.766 4.234 5 20 IIBD O=C(CCNC(=O)Nc1ccc(Br)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 916040224 TYZPINWHRFHLCJ-UHFFFAOYSA-N 441.669 4.161 5 20 IIBD CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)[C@H]1c1ccc(OC)cc1 916757854 DPDPQNBGRNUJRO-PGRDOPGGSA-N 443.475 4.461 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Oc1cccc(Oc2ccccn2)c1 916862139 QDNPRQNZLLDFAG-UHFFFAOYSA-N 435.392 4.076 5 20 IIBD Cc1cc(CN(C)Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)cc(C)c1OCC(F)(F)F 917489020 CPVXCCSJLJHEKZ-UHFFFAOYSA-N 439.390 4.150 5 20 IIBD CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(OC(=O)c1ccc(N3CCCC3)c([N+](=O)[O-])c1)C2 920138508 GZDYVOFKKFSKSX-IRXDYDNUSA-N 445.516 4.282 5 20 IIBD CCN(CC)S(=O)(=O)c1cc(C(=O)Oc2cc(Cl)ccc2[N+](=O)[O-])ccc1Cl 921136547 KOMCNMKYDFCTRA-UHFFFAOYSA-N 447.296 4.151 5 20 IIBD COc1ccc(NC(=O)COC(=O)C2(c3ccc(C(C)(C)C)cc3)CC2)c([N+](=O)[O-])c1 1248622618 XZKVXRYNTRDTFU-UHFFFAOYSA-N 426.469 4.114 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2C[C@H]3CCCC[C@]32c2ccccc2)cc1[N+](=O)[O-] 1319178122 PLYLPCZLUZJNBD-JPYJTQIMSA-N 449.536 4.416 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)o2)C1 1326378259 LUMBTXVCWVHCSF-MRXNPFEDSA-N 443.504 4.360 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CC(C)(C)c3c(Cl)cccc32)ccc1[N+](=O)[O-] 1346852354 SGYDJNLLSDWAIR-IBGZPJMESA-N 441.915 4.486 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)C(F)(F)Cl)CCC2)cc1)c1cccc(F)c1[N+](=O)[O-] 1790698571 GROMQUQRRLKWRL-UHFFFAOYSA-N 441.793 4.313 5 20 IIBD CCCCC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[C@H]1c1cccnc1 1802269580 NDUWTAOIZYHXEV-DJPFJPOOSA-N 442.516 4.119 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCC2(CCCN(C(=O)C3CCCCC3)C2)CC1 1808971801 FJEPVGSINQGZIG-UHFFFAOYSA-N 445.535 4.467 5 20 IIBD C/C=C(\C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CSc2ccccc2[N+](=O)[O-])CC1 1831343468 YWMZEPZMXPNCBP-XTAKQWGHSA-N 445.585 4.273 5 20 IIBD CCNc1ccc(C(=O)OCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1[N+](=O)[O-] 10530824 QNTLHUUKUXQTFF-UHFFFAOYSA-N 444.444 4.085 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccccc1OCc1ccc(F)cc1 10587244 HAUAYDJNLAEVJC-UHFFFAOYSA-N 438.411 4.417 5 20 IIBD O=C(COC(=O)c1ccc(Br)cc1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 11081822 DFJKYVDYGOWRCQ-UHFFFAOYSA-N 447.163 4.172 5 20 IIBD C[C@@H](OC(=O)c1ccc(CN2CCCCC2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 16402162 KMSQXENWUPMPKO-OAHLLOKOSA-N 445.903 4.418 5 20 IIBD COc1cc(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1OC(F)F 17656094 QHXNMFQNKKYPGO-SNVBAGLBSA-N 435.339 4.173 5 20 IIBD O=C(COC(=O)CCc1ccccc1Cl)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 21693886 YIBKKKAWLQUQNT-UHFFFAOYSA-N 430.766 4.382 5 20 IIBD CSc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 22184080 WIPOQPGNFPOLRU-SNVBAGLBSA-N 439.287 4.263 5 20 IIBD O=C(O[C@@H]1CCOC1=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 28444972 OWSUEOBJXOCVKK-RDOKFVIMSA-N 444.443 4.492 5 20 IIBD COCCN(C(=O)Cn1ccc2ccccc21)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 58043852 AXFFTNXBZFHWCZ-UHFFFAOYSA-N 436.493 4.353 5 20 IIBD CC1CCN([C@H](CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c2cccs2)CC1 58489942 JUWKQBMDIVPFGX-HXUWFJFHSA-N 439.541 4.045 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N[C@H](c1ccc(F)cc1)C1CCCC1 97575817 TWWMHMGANVVZDG-FQEVSTJZSA-N 433.867 4.165 5 20 IIBD COc1ccc(NC(=O)/C=C\c2ccccc2[N+](=O)[O-])cc1OCc1cn2ccccc2n1 98008820 XTUHZAHGJVQPEH-XFXZXTDPSA-N 444.447 4.482 5 20 IIBD O=c1c(Cl)c(N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cnn1-c1ccc([N+](=O)[O-])cc1 301989933 MGKMDGQIQGZODH-QFBILLFUSA-N 447.278 4.390 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2nc(-c3ccccc3Cl)cs2)CC1 302110465 ZKBGPBFHEMPVNP-UHFFFAOYSA-N 428.901 4.334 5 20 IIBD C[C@@H]1C[C@@H](C)CN(Cc2ccccc2CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 302611389 FAALXBZTICFTCF-IAGOWNOFSA-N 431.558 4.088 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(NCc3ccccc3)c(Cl)c2)ccc1O 303418734 CCVCCQXRQNJOOG-UHFFFAOYSA-N 433.873 4.367 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O 303832910 HASZHZJPYHNKHA-GUYCJALGSA-N 433.917 4.041 5 20 IIBD O=C(CCN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)Nc1ccccc1[N+](=O)[O-] 410030878 SGBXVKRKUXDFRY-LBPRGKRZSA-N 428.436 4.278 5 20 IIBD CO[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(Cl)cc1 426015690 IBXUQXABTGIAMF-INIZCTEOSA-N 431.798 4.454 5 20 IIBD Cc1ccccc1Cc1noc(CSCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)n1 430958173 RPZGVQIGWZVKAQ-UHFFFAOYSA-N 440.481 4.108 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CC2(CCCC2)c2cccc(F)c21 432548355 CTVOIENOFQTQBQ-UHFFFAOYSA-N 439.443 4.281 5 20 IIBD CC(C)[C@@H](O)CNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 434380005 NYMAEGUDHPVDRI-QMDZLVRISA-N 425.510 4.268 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1nc([C@@H]2C[C@H]3CC[C@H]2C3)cs1 434999338 KVSNDIYEDQVSKH-XYJFISCASA-N 442.541 4.331 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 435368354 BDSNTTWXJNTYSN-LJQANCHMSA-N 439.903 4.073 5 20 IIBD CN(Cc1ccc(O)cc1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435493931 KZNQBXQGXLYAFC-UHFFFAOYSA-N 443.506 4.110 5 20 IIBD COc1cccc(-c2noc([C@H](C)NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)c1 437144500 QQWLDHLTNPZBGJ-JTQLQIEISA-N 436.346 4.163 5 20 IIBD CCN(CC)C(=O)c1ccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 437575961 JAAYJCFEJGNVRY-UHFFFAOYSA-N 440.500 4.152 5 20 IIBD Cc1ccc(CNC(=O)c2cccc(CNC(=O)Cc3cccc([N+](=O)[O-])c3C)c2)cc1 438898051 WDMHLXUUQAYMBI-UHFFFAOYSA-N 431.492 4.001 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1cccc(COCC(F)(F)F)c1 441720157 RXKGFNOIMCRSHP-GFCCVEGCSA-N 446.809 4.411 5 20 IIBD CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 445020049 KMJCGSUPYKCUNV-INIZCTEOSA-N 442.516 4.491 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)Cc1noc(-c2ccc(Cl)cc2[N+](=O)[O-])n1 445310047 JLINZSJIUOBBNT-UHFFFAOYSA-N 437.239 4.450 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 446012905 RBKRFUKQVYJZTD-PKOBYXMFSA-N 437.265 4.075 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F 446361207 YVQJINITNLAJKF-HNNXBMFYSA-N 445.760 4.366 5 20 IIBD Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)s1 447026736 JNJHXZLPRMRMKQ-ZDUSSCGKSA-N 431.333 4.253 5 20 IIBD CCS(=O)(=O)c1ccc(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])cc1 447667632 FHFUXGLSQDYLFG-UHFFFAOYSA-N 439.362 4.050 5 20 IIBD CN(CCCc1cc(-c2ccccc2)no1)c1cc(CN2CCOCC2)ccc1[N+](=O)[O-] 447810151 GVVIMHYWIUQDLU-UHFFFAOYSA-N 436.512 4.151 5 20 IIBD COC(=O)CCN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(F)c1 460213230 DVNMPCCSZFDGMS-UHFFFAOYSA-N 429.429 4.067 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCc4ccc(Cl)cc4C3)n2C[C@H]2CCOC2)c1 461531741 FJJPAOLRWPKYIB-OAHLLOKOSA-N 439.903 4.106 5 20 IIBD Cc1cccc(NC(=O)Nc2cccc(CNC(=O)CN(C)c3ccccc3[N+](=O)[O-])c2)c1 463279919 GZEHELDKFODSNF-UHFFFAOYSA-N 447.495 4.300 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccccc1CN1C[C@H](C)O[C@H](C)C1 463957127 FMDOYLLGQJFGOO-HDICACEKSA-N 426.517 4.143 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 464024353 ONDVMFFMZKFXGM-UHFFFAOYSA-N 435.402 4.360 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)cc([N+](=O)[O-])c1 464346338 KCMRLGCKBXYWBV-UHFFFAOYSA-N 446.872 4.120 5 20 IIBD C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)Oc1ccc(Br)cc1 464637297 ZEVKWPMBZXGLQN-LLVKDONJSA-N 427.682 4.137 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)c1nnn(-c2cccc(Br)c2)c1C 464706268 CYZJGKCSVJTVLL-UHFFFAOYSA-N 430.262 4.061 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H](C)[C@H](n3ccnc3)C2)cc1 469384528 USGKIOMJJILOMW-HRAATJIYSA-N 436.468 4.316 5 20 IIBD CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H]1C[C@H](F)CN1Cc1cccs1 470817761 RWZUUYLTCNMRAV-HKUYNNGSSA-N 444.532 4.398 5 20 IIBD C[C@@H](CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)N(C)Cc1ccccc1 471437190 PQCIKGNQVTXBJW-FQEVSTJZSA-N 427.548 4.182 5 20 IIBD O=C(c1ccc(N[C@H]2CC=C(c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1)N1CCOCC1 477059095 LUBFAZIEXLEPEE-FQEVSTJZSA-N 425.460 4.254 5 20 IIBD COC(=O)[C@@H](C)NC(=O)c1ccc(N[C@@H](C)c2oc3ccccc3c2C)c([N+](=O)[O-])c1 477713676 DDTWQLKLWVFBSJ-UONOGXRCSA-N 425.441 4.114 5 20 IIBD NC(=O)c1ccc(SCC(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)c([N+](=O)[O-])c1 477921817 YDLRXHLUIFEJIL-UHFFFAOYSA-N 433.795 4.097 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2ccnc(-c3ccccc3)c2)c1 479309301 IFRIVKKZFDRPDC-UHFFFAOYSA-N 434.271 4.220 5 20 IIBD CCCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2I)cn1 479458355 UDZFCJFUIKEXFU-UHFFFAOYSA-N 441.225 4.026 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c1[N+](=O)[O-] 480699333 OVSFJLQXPMEHMS-MRXNPFEDSA-N 434.905 4.267 5 20 IIBD CCn1c(S[C@@H](C)C(=O)NC[C@H](C)c2ccccc2)nnc1-c1ccc([N+](=O)[O-])cc1 481333539 CECYOYURYDBZKD-HOTGVXAUSA-N 439.541 4.274 5 20 IIBD Cc1c(CNC(=O)CSc2nncn2-c2ccc(C(C)C)cc2)cccc1[N+](=O)[O-] 481474396 JTGLXMNGGKGZGI-UHFFFAOYSA-N 425.514 4.016 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N1CCC(c2ncccc2Cl)CC1 486084888 YACZXOQRNYZOFL-UHFFFAOYSA-N 430.711 4.487 5 20 IIBD COC(=O)[C@@](C)(NC(=O)c1cccc(SC)c1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 486588944 UEAHHZHUYUIUOV-SFHVURJKSA-N 443.308 4.442 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2cccn2)c(Cl)c1 487024010 FSDWPSKSVAUYGP-UHFFFAOYSA-N 432.889 4.425 5 20 IIBD C[C@@H](Sc1nnc(Cc2c(F)cccc2Cl)o1)C(=O)Nc1ccccc1[N+](=O)[O-] 488776851 AYYCQTCXVADKNN-SNVBAGLBSA-N 436.852 4.480 5 20 IIBD O=[N+]([O-])c1ccn(C2CCN(Cc3coc(-c4ccc(Br)cc4)n3)CC2)n1 488969943 FESKVZJXYRSUSB-UHFFFAOYSA-N 432.278 4.046 5 20 IIBD O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CC=C(c2c[nH]c3ccccc23)CC1 490794895 NNOCKCCMYZMEOM-UHFFFAOYSA-N 430.508 4.356 5 20 IIBD Cc1nn(C)c(C)c1CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 491063016 UFIDPYSGCYWRBJ-UHFFFAOYSA-N 427.892 4.141 5 20 IIBD COc1c(F)cc(S(=O)(=O)N(C2CC2)[C@@H](C)c2ccccc2Cl)cc1[N+](=O)[O-] 491319973 FROHKZNTFOEFFB-NSHDSACASA-N 428.869 4.310 5 20 IIBD CO[C@@H]1CCN([C@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c2ccccc2)C1 494883483 QOMNPLQEKKCCFH-QUCCMNQESA-N 438.509 4.119 5 20 IIBD CCN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@H](c1cccnc1)c1ccc(F)c(F)c1 496500670 XPRRBCXDMXWLRO-QFIPXVFZSA-N 426.423 4.318 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)cc1[N+](=O)[O-] 500361413 OFEFHDFIEXNYQH-FRYJOBKFSA-N 425.323 4.067 5 20 IIBD C[C@@H]1C[C@]1(NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(Cl)cc1 503417058 TZPNXFOOGJVSFJ-ADLMAVQZSA-N 438.709 4.474 5 20 IIBD CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1cccc(NC(=O)[C@H]2CCCO2)c1 504912293 TZMWGVFFFBLEMW-YLJYHZDGSA-N 429.542 4.373 5 20 IIBD CCOc1cc(C(=O)N(C)C)ccc1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 508508454 YJRHKCPZJUZUTC-UHFFFAOYSA-N 426.498 4.431 5 20 IIBD CCCCN(CC(F)(F)F)C(=O)c1cc([N+](=O)[O-])cc(I)c1C 509627192 XMLUEEJTPFVDOF-UHFFFAOYSA-N 444.191 4.312 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)c1 510595282 YECHTEZLBARUDN-LBPRGKRZSA-N 441.431 4.224 5 20 IIBD COc1ccc2[nH]cc(C3CCN(S(=O)(=O)c4cc(C)c(C)cc4[N+](=O)[O-])CC3)c2c1 511926570 LIKCRNSSUYVUAN-UHFFFAOYSA-N 443.525 4.270 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CC3(CCOCC3)[C@@H]2C2CC2)cc1[N+](=O)[O-])c1ccccn1 515181066 YDJUNINKGIOYED-AOMKIAJQSA-N 436.512 4.194 5 20 IIBD O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]1c1ccc(Br)cc1 517578892 BQRNDSUKBQELSB-IRXDYDNUSA-N 427.258 4.285 5 20 IIBD CCCCOc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 522572856 PTKNXUNDZTXQEG-NRFANRHFSA-N 425.485 4.325 5 20 IIBD Cc1cccc([C@@H]2CCCN2C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 531708002 VWDPQVMJYUMOSE-KRWDZBQOSA-N 437.422 4.276 5 20 IIBD O=C(Nc1cccc2c1CN(c1nccs1)C2)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 534736751 UHTOPYGAWYAMIR-UHFFFAOYSA-N 432.465 4.010 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2cc(-c3cccnc3)[nH]n2)cc1[N+](=O)[O-])c1ccccn1 535120924 SWUXXVRHOXMFAC-AWEZNQCLSA-N 429.440 4.200 5 20 IIBD COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1Nc1ccccc1 535400620 QYNUWVDIHZDUSU-UHFFFAOYSA-N 445.428 4.065 5 20 IIBD COc1ccc(-c2ccc(CNc3ccc(CN4C(=O)CCC4=O)cc3)o2)c([N+](=O)[O-])c1 535836565 DSQCRJDXDZHLPE-UHFFFAOYSA-N 435.436 4.125 5 20 IIBD COc1ccccc1NC(=O)C1CCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1 537644110 ITTSWXFOIVIZSB-UHFFFAOYSA-N 425.485 4.020 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 537924854 SYJKQNYWPLFUIZ-HXUWFJFHSA-N 446.463 4.046 5 20 IIBD C[C@@H](C(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1)c1ccc([N+](=O)[O-])cc1F 542684190 DDQCHRBAWKSUJY-XIKOKIGWSA-N 426.366 4.456 5 20 IIBD C[C@H](C(=O)NC[C@@H](C)Oc1ccccc1Br)c1ccc([N+](=O)[O-])cc1F 543481086 RZDRZFICDMXORG-NEPJUHHUSA-N 425.254 4.184 5 20 IIBD Cc1nc(-c2ccccc2Br)sc1[C@H](C)NCCn1cc([N+](=O)[O-])cn1 543498892 VFOSARICBDZAFP-NSHDSACASA-N 436.335 4.337 5 20 IIBD Cc1ccc(C(=O)c2c(NC(=O)Cc3ccccc3[N+](=O)[O-])sc3c2CCOC3)cc1 545398941 MTRGPNUWAFXTDP-UHFFFAOYSA-N 436.489 4.450 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(Cc3ccc(-n4cccn4)cc3)n2)c(Br)c1 545743846 ZNHRMVFSPUMRON-UHFFFAOYSA-N 440.257 4.108 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 546799521 VHGQILFDYZUBFP-FQEVSTJZSA-N 435.505 4.328 5 20 IIBD COc1ccc(Cl)cc1NCCc1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 547263544 ZQLVAMLKCRGRAU-UHFFFAOYSA-N 427.848 4.367 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2c(C)cnn2[C@H]2CCN(Cc3ccccc3)C2)c1 549295258 ZZZYNFBFYOPSSL-IBGZPJMESA-N 449.511 4.198 5 20 IIBD C[C@H](c1ccccc1)[C@@H](NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)C(N)=O 553089018 VXAUYWSQZOUKIZ-QVKFZJNVSA-N 435.505 4.133 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1ccc(Cn2cccn2)cc1 553639393 CMBUEKNMJWMXPS-UHFFFAOYSA-N 426.432 4.323 5 20 IIBD O=C(NCc1cc(F)c(C(F)(F)F)cc1F)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 553711565 AJGPPKBEAGFNQY-UHFFFAOYSA-N 426.301 4.008 5 20 IIBD Cc1c(NC(=O)[C@@H](C)NC2(Cc3ccc(F)cc3Cl)CCOCC2)cccc1[N+](=O)[O-] 555696690 LEZHMGQLRIIYQG-OAHLLOKOSA-N 449.910 4.404 5 20 IIBD COc1ccc(NC(=O)CCN2CCn3c(cc4c(Cl)cccc43)C2)c([N+](=O)[O-])c1 556066388 CYSQUFAQKPFEHX-UHFFFAOYSA-N 428.876 4.056 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 559034414 MHTJCTDLCJPSHO-UHFFFAOYSA-N 439.418 4.180 5 20 IIBD O=C(COc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cnccn1 559999139 PWOPZEAOGFIRNQ-UHFFFAOYSA-N 447.234 4.206 5 20 IIBD O=C(Nc1ccc(F)c(N2C(=O)CCC2=O)c1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 561465826 WIBJESWSFWQAPN-UHFFFAOYSA-N 448.410 4.383 5 20 IIBD O=C(O)c1cc(NCc2ccccc2CN2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] 563951819 GKCNZHJWFMQVJF-UHFFFAOYSA-N 446.507 4.227 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2c2nc(CSCc3ccco3)no2)ccc1[N+](=O)[O-] 565269932 MCYXULUZXDHTPU-QGZVFWFLSA-N 428.470 4.290 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 566649848 LJDCPPRBNDLPMT-UHFFFAOYSA-N 436.443 4.032 5 20 IIBD COc1cc(C(=O)NCc2cn(C(C)C)nn2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 566671436 RHZJSOLEQNPRMG-UHFFFAOYSA-N 445.863 4.152 5 20 IIBD Cc1ccc(CN2CC[C@@H](CN(C)CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)s1 567428792 QYNPMDDCLBOPSX-HNNXBMFYSA-N 436.965 4.011 5 20 IIBD O=C(Cc1noc(-c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])n1)NC1CC1 571721118 NRRQQPSEHJKMHP-UHFFFAOYSA-N 430.873 4.271 5 20 IIBD Cc1ccccc1C(NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C)c1ccccc1C 576731574 IQLZMQMXPPNHKS-UHFFFAOYSA-N 431.492 4.042 5 20 IIBD CS(=O)(=O)c1ccc(-c2nc(C3(c4ccc(F)cc4F)CCCC3)no2)cc1[N+](=O)[O-] 577423207 DCODYQQKGXDMDB-UHFFFAOYSA-N 449.435 4.187 5 20 IIBD COc1cc(C(=O)Nc2cc(C)nn2-c2ccc(F)cc2)c([N+](=O)[O-])cc1OC(F)F 585722578 JPEWTQLMSSMBRO-UHFFFAOYSA-N 436.346 4.090 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2c2nc(-c3cnn(-c4ccccc4)c3)no2)ccc1[N+](=O)[O-] 589146268 YYNHPHKGWFZVHN-FQEVSTJZSA-N 444.451 4.116 5 20 IIBD COCCOc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1OC 590158733 KPUFRAURBAQPNO-GFCCVEGCSA-N 442.390 4.138 5 20 IIBD O=C(Nc1ccc(F)c(F)c1F)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 603644328 LSHZEMVCFBGLAU-UHFFFAOYSA-N 448.323 4.385 5 20 IIBD COc1ccc2c(c1)C[C@@H](C(=O)Nc1nc(-c3cccc([N+](=O)[O-])c3)c(C)s1)CO2 603997554 NUSLSIDKFOGVLT-OAHLLOKOSA-N 425.466 4.225 5 20 IIBD COc1cc(C(=O)Nc2ccc(CCN3CCCCC3)cc2)c([N+](=O)[O-])cc1OC(F)F 604027964 DCROELPKEQCBQW-UHFFFAOYSA-N 449.454 4.486 5 20 IIBD COc1cc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)ccc1OC1CCCC1 604036170 JDXKCXFXZNFUAI-CYBMUJFWSA-N 438.477 4.103 5 20 IIBD Cc1cc(C)n(-c2ccc(CNC(=O)Cc3ccc([N+](=O)[O-])cc3)c(C(F)(F)F)c2)n1 604440209 ZUKMUCVPMIHPCA-UHFFFAOYSA-N 432.402 4.275 5 20 IIBD O=C(NCCC(=O)N1CCCC[C@@H]1c1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 608945419 MIOKSCJCCOEFAQ-LJQANCHMSA-N 449.429 4.487 5 20 IIBD Cc1cccc(COc2ccc(NC(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)c(C)c2)c1 609228119 CUJNTIRDOSUWEF-UHFFFAOYSA-N 447.447 4.337 5 20 IIBD Cc1cnn([C@@H]2CCCc3ccccc32)c1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 610032613 NYVDPTLCXNJKPX-QGZVFWFLSA-N 446.916 4.480 5 20 IIBD COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1N1CCCCC1=O 610040383 SLHXISBSWKHTCL-UHFFFAOYSA-N 448.273 4.135 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 610184480 IGZGNYXEAPXUIB-UHFFFAOYSA-N 429.274 4.357 5 20 IIBD CCOC(=O)c1cc(F)c(F)cc1NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] 610186200 MDYSZCJWOPMLII-UHFFFAOYSA-N 426.397 4.033 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1 610192423 AGOOVVRPROMZAP-DUXKGJEZSA-N 426.469 4.329 5 20 IIBD O=C1[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)CCN1c1ccc(C(F)(F)F)cc1 610278309 FGPIMNLFSRKOHB-ZDUSSCGKSA-N 431.317 4.432 5 20 IIBD COc1cc(C(=O)N[C@H](C(C)(C)C)C(F)(F)F)c([N+](=O)[O-])cc1OCc1cscn1 610412322 AZDQBFRPDGHYHX-MRXNPFEDSA-N 447.435 4.346 5 20 IIBD CC(=O)c1csc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n1 610429278 ONTFAFYVQCPCJR-UHFFFAOYSA-N 447.476 4.288 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CCNc1ncnc2ccc([N+](=O)[O-])cc12 611711510 WBCZYUORKKXMKJ-UHFFFAOYSA-N 430.262 4.050 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 725817754 MRJRTZPBGYLVOH-UHFFFAOYSA-N 438.889 4.110 5 20 IIBD COc1ccc(CC(=O)OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1[N+](=O)[O-] 727881993 ABWZIZPYTNBWLY-UHFFFAOYSA-N 446.765 4.000 5 20 IIBD CC(C)OC(=O)CNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 729383837 DUNXLRCNBWOOLA-LFIBNONCSA-N 439.493 4.203 5 20 IIBD CCCOc1ccccc1Oc1ncccc1CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N 729522203 CRPMSANWYVJOJV-UHFFFAOYSA-N 436.468 4.392 5 20 IIBD O=C(OCc1cc(F)ccc1Br)C1CCN(c2ccccc2[N+](=O)[O-])CC1 729696859 UPPASJUUXGQXGW-UHFFFAOYSA-N 437.265 4.456 5 20 IIBD O=C(COC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)Nc1ccc(F)c([N+](=O)[O-])c1 730616303 ZZKXAACWNVAZPL-STQMWFEESA-N 427.215 4.326 5 20 IIBD CC(C)(C)OC(=O)NC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CCCCC1 732020204 YCWFUVMSQNSQHW-KRWDZBQOSA-N 425.913 4.452 5 20 IIBD C[C@H](Oc1ccc(F)cc1Cl)C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 733565962 XLPAXBMQSUXSFU-ZJUUUORDSA-N 445.230 4.378 5 20 IIBD CCC[C@H](NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1 740409559 DZBMLMZCXPDLEE-KRWDZBQOSA-N 435.274 4.172 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(Br)cc1F 741602094 FQHYKZWROOPBHE-UHFFFAOYSA-N 431.601 4.189 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCCN(C(=O)OC(C)(C)C)c3ccccc32)cc1[N+](=O)[O-] 741754420 QFUFJQUBCDYSOJ-UHFFFAOYSA-N 447.513 4.244 5 20 IIBD CSc1nc(C(C)C)nc(C)c1C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 741813583 BTQNXGSIBXXYBV-ZDUSSCGKSA-N 432.502 4.031 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1 741885054 MLWIRRKZWBYGJU-UHFFFAOYSA-N 446.371 4.425 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)N(C)c2ccccc2C(=O)N(C)CCc2ccccc2)c1 741947326 PLFBZMIHFFVFBG-UHFFFAOYSA-N 431.492 4.495 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1cccc(Cl)c1 743794952 JSZRJRBMQKIPMX-OAHLLOKOSA-N 441.665 4.045 5 20 IIBD C[C@@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 745335495 QPFMKXYUHDVWEA-LLVKDONJSA-N 447.419 4.109 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 746269927 BQYNIJWFKWBSAP-YJBOKZPZSA-N 437.265 4.225 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NC(Cc1ccccc1)Cc1ccccc1 746994711 HBALJJZDVBDOPX-UHFFFAOYSA-N 437.883 4.157 5 20 IIBD O=C(Oc1ccc(Cc2ccccc2)cc1[N+](=O)[O-])c1ccc(CN2C(=O)CCC2=O)cc1 749062101 JELPSIAVFYPGDU-UHFFFAOYSA-N 444.443 4.054 5 20 IIBD Cc1cc(Br)ncc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 749408050 KGFVNUJKMLWVJD-UHFFFAOYSA-N 434.168 4.254 5 20 IIBD O=C(COC(=O)c1c(F)ccc([N+](=O)[O-])c1F)N[C@H](c1ccccc1)C1CCCCC1 752557569 BAIOARRQUMAQRW-OAQYLSRUSA-N 432.423 4.468 5 20 IIBD COc1ccc([C@@H]2CCCCCN2C(=O)COC(=O)c2c(F)ccc([N+](=O)[O-])c2F)cc1 752567820 WTZANCUTDDQEMF-KRWDZBQOSA-N 448.422 4.182 5 20 IIBD Cc1c(C(=O)N(Cc2ccc[nH]2)c2ccc(N(C)C)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 754391665 KZQJHGUABQKXKG-UHFFFAOYSA-N 437.456 4.361 5 20 IIBD C[C@@H](OC(=O)c1cc(-c2ccccn2)ccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 755000549 ZQQWNWSKKBQPKO-CYBMUJFWSA-N 425.828 4.494 5 20 IIBD CC(C)(CCC(=O)OC(C)(C)C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 755431685 YURJFEBJVXMEOL-UHFFFAOYSA-N 433.274 4.127 5 20 IIBD C[C@@H](C(=O)NC[C@H](O)c1cccc(OCc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1F 755512084 GMAQUYMLCYLWIR-MWTRTKDXSA-N 438.455 4.266 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc3c(c2)-c2ccccc2C3)c([N+](=O)[O-])c1 755884061 RIVWLGNICGGGAC-CQSZACIVSA-N 432.432 4.359 5 20 IIBD Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)CC3 760872060 BCEKSKBMXHMZFH-GFCCVEGCSA-N 428.286 4.434 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1sc(C)c(C)c1C 763809983 IJWBGNPKXZCHBE-UHFFFAOYSA-N 438.527 4.116 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(NC2CCC(NC(=O)OC(C)(C)C)CC2)cc1Cl 765512644 APIOYXPKKPOOQP-UHFFFAOYSA-N 427.885 4.283 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1OCCC1OCCO1 767393151 HPLOVVAJIOZUHZ-UHFFFAOYSA-N 427.240 4.296 5 20 IIBD Cc1sc(S(=O)(=O)Nc2ccc(N3CCc4sccc4C3)cc2)cc1[N+](=O)[O-] 767453444 ZVWSOXOOUFLIER-UHFFFAOYSA-N 435.552 4.390 5 20 IIBD C[C@@H](NC(=O)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 769713107 OOWLDZZNDAUIEW-MRXNPFEDSA-N 434.537 4.334 5 20 IIBD CSc1cccc(C)c1NC(=O)c1cc([N+](=O)[O-])ccc1I 770194740 RPGGZVHONMXFMY-UHFFFAOYSA-N 428.251 4.482 5 20 IIBD COc1ccc(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c(Br)c1 770326983 TUEOXQZUPJBSFP-UHFFFAOYSA-N 430.052 4.381 5 20 IIBD CN(C)c1ccc(C2CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)CC2)cc1 773411924 VZNULJKDYOCOBS-UHFFFAOYSA-N 432.318 4.443 5 20 IIBD CSc1cccc(NC(=O)[C@@H](C)OC(=O)c2sc(Br)cc2[N+](=O)[O-])c1 773605997 NZYCUZMZPQLTHW-MRVPVSSYSA-N 445.316 4.325 5 20 IIBD C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 774516207 SIJXFVQPWLDDEF-JTQLQIEISA-N 447.391 4.123 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nn1-c1cccc(Cl)c1 777155451 UURMHFIBEIQPKG-UHFFFAOYSA-N 449.250 4.191 5 20 IIBD Cc1c(NC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)cccc1-c1nnc2n1CCCCC2 778231931 HJDKFNAAABCRAW-UHFFFAOYSA-N 449.496 4.145 5 20 IIBD O=C(Nc1ccc(OCc2ccccn2)c(Cl)c1)c1cc([N+](=O)[O-])c2nsnc2c1 778251177 PRYLOXNKIRZVNA-UHFFFAOYSA-N 441.856 4.479 5 20 IIBD C[C@@H](NC(=O)c1ccccc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccccc1 778683735 QQVPHOMFEYLCQP-CQSZACIVSA-N 433.420 4.067 5 20 IIBD CC(C)C[C@H](NC(=O)COC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccccc1 781678068 NBIVIELZJVOGNF-INIZCTEOSA-N 449.301 4.418 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cc(Cl)cc(Br)c1O 782025336 XQXOQYXZEGIFHS-UHFFFAOYSA-N 444.625 4.196 5 20 IIBD CCOCN(C(=O)COC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1)c1c(C)cccc1CC 783077638 WWGYACKOMJEJEA-UHFFFAOYSA-N 439.468 4.131 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 784483321 OTLDWNWLPQVGFK-ZFWWWQNUSA-N 437.418 4.439 5 20 IIBD C[C@H](OC(=O)c1nc(Br)ccc1Br)c1ccccc1[N+](=O)[O-] 784927322 MHWDKGQLDYVKAW-QMMMGPOBSA-N 430.052 4.433 5 20 IIBD O=C(Nc1ccccc1C(=O)OCCO[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1Cl 787584908 LUIVHNTYBWZQHM-IBGZPJMESA-N 448.859 4.201 5 20 IIBD COC(=O)c1cc(NC(=O)[C@H](C)Sc2nc3ccccc3s2)c(C)c([N+](=O)[O-])c1 792626870 FZWYOTFHIMSHLP-NSHDSACASA-N 431.495 4.419 5 20 IIBD C[C@@H](Nc1ccc(C(=O)OCc2cc(Br)no2)cc1[N+](=O)[O-])c1ccccn1 795348338 FUZBRKFCSXWENR-LLVKDONJSA-N 447.245 4.270 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2ccnc(F)c2F)c2ccccc2)c([N+](=O)[O-])c1 795667228 IOESPDYYKJHOMC-GOSISDBHSA-N 427.363 4.113 5 20 IIBD CC(C)c1[nH]nc(C(=O)O[C@H](c2ccccc2)c2nc(-c3ccccc3)no2)c1[N+](=O)[O-] 796252278 BWCGEJNNPHVXNM-LJQANCHMSA-N 433.424 4.438 5 20 IIBD Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])on1 799553631 OFUHBDDZXYZBEB-CYBMUJFWSA-N 427.438 4.226 5 20 IIBD CCc1cc(N2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 800878609 CHLVEQKFOIXYFJ-HSZRJFAPSA-N 441.532 4.355 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 801895204 GPKUSFTVFXNZHP-MGPLVRAMSA-N 444.337 4.203 5 20 IIBD O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)[C@H](F)c1ccc(C(F)(F)F)cc1 802063742 PESPCEZFGVWJQS-GOSISDBHSA-N 441.381 4.479 5 20 IIBD Cc1c(COC(=O)[C@@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] 805649207 OKYOAKTUBSVWAH-GOSISDBHSA-N 432.395 4.136 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)c3ccccc32)c1C 809863028 GGEFSLJKXHWCGH-UHFFFAOYSA-N 447.513 4.162 5 20 IIBD CCc1sc(C(=O)O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1Br 815334632 CZUDLJNYGVVRMD-SECBINFHSA-N 427.276 4.165 5 20 IIBD CCCOc1cc(NC(=O)[C@H]2CC(c3ccccc3)=NO2)c([N+](=O)[O-])cc1OCCC 915141372 GNKHDLREZVZGHB-OAQYLSRUSA-N 427.457 4.304 5 20 IIBD COc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1NC(=O)OC(C)(C)C 915187838 JSINIFXIFPOLIM-UHFFFAOYSA-N 437.474 4.060 5 20 IIBD C[C@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(=O)NC12CC3CC(CC(C3)C1)C2 916541147 ZPQGSICKECRACK-URNNUDQISA-N 428.510 4.440 5 20 IIBD Cc1ccsc1CNC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 918870060 WBBGPGKTSAPIDP-UHFFFAOYSA-N 439.493 4.050 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc2)cc1 919220402 TVDHCQVVCSMWLD-FQEVSTJZSA-N 435.392 4.348 5 20 IIBD O=[N+]([O-])c1cccc(/C(O)=C(/C(=S)Nc2ccc3c(c2)CCC3)[n+]2cccc(CO)c2)c1 920395796 NDFHSZZRSCPNFN-UHFFFAOYSA-O 448.524 4.187 5 20 IIBD O=[N+]([O-])c1ccc2nc(SC[C@H](O)COc3cccc(Br)c3)sc2c1 921231365 YREXQPNKYQAKHJ-GFCCVEGCSA-N 441.328 4.499 5 20 IIBD COc1ccc(-c2cc(NC(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)ccc2OC)cc1 1317821081 OZACYKANTYNDFE-UHFFFAOYSA-N 432.436 4.267 5 20 IIBD O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1ccn(-c2ccccc2C(F)(F)F)n1 1320383073 UTPFBNDPGALGSI-UHFFFAOYSA-N 442.357 4.237 5 20 IIBD CCc1cccc(C(=O)OC)c1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 1323105919 QNXGFGPEYVEVJU-UHFFFAOYSA-N 436.468 4.058 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1)c1nc2ccccc2[nH]1 1788914369 HWEBUDLBGMEJBQ-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD O=C(/C=C/C1CC1)NC1(c2ccc(NC(=O)Cc3cc(F)ccc3[N+](=O)[O-])cc2)CCC1 1792307915 WPQPYTMWYARGKY-NYYWCZLTSA-N 437.471 4.377 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2F)n[nH]1 1821049014 BQTBVKMBVRNNKQ-UGSOOPFHSA-N 431.468 4.199 5 20 IIBD CC(C)[C@@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 1847615429 CPZDMOSIRAOSMR-SONWIMMPSA-N 449.551 4.169 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 10400826 NBMZXGPFZFCICL-JTQLQIEISA-N 446.765 4.216 5 20 IIBD O=c1ccc2ccc(Oc3ccc(S(=O)(=O)N4CCCCCC4)cc3[N+](=O)[O-])cc2o1 15131673 AXUMJQCEIFPOHT-UHFFFAOYSA-N 444.465 4.058 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)cc1 15790909 HAVWXVWEHPOPMI-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD Cc1nc(COc2cccc(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)c2)cs1 17737328 BEZCXYOLIONVJF-UHFFFAOYSA-N 442.449 4.162 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)c([N+](=O)[O-])c1 20750893 GVXXWHDAFBUTCZ-FQEVSTJZSA-N 435.392 4.348 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1 25868528 KXWPCKZITQZCIY-UHFFFAOYSA-N 445.541 4.193 5 20 IIBD O=C(c1ccccc1)c1ccc(N2CCCN(C(=O)c3ccccc3)CC2)c([N+](=O)[O-])c1 29531578 JRJHDFZVAXLFEX-UHFFFAOYSA-N 429.476 4.178 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCCCc3cn[nH]c3C)c([N+](=O)[O-])c2)c(C)c1 59384801 DPBHMZUJTRUTCJ-UHFFFAOYSA-N 443.529 4.089 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@H](c1ccco1)N1CCCCC1 105554212 DSUIXMGXBISAAK-HSZRJFAPSA-N 429.520 4.091 5 20 IIBD C[C@@H](c1cc2ccccc2o1)N(C)C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 105823219 NKLOBNCOTJSPHI-DZGCQCFKSA-N 425.416 4.053 5 20 IIBD C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)c1cccc([N+](=O)[O-])c1 108282258 INJJXIFTOKEZJY-SGTLLEGYSA-N 436.295 4.384 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NC[C@H](c2ccsc2)N(C)C)cc1[N+](=O)[O-])c1ccccn1 108780485 OZILHVSTLRBKRY-QVKFZJNVSA-N 439.541 4.257 5 20 IIBD COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)CCn1cc([N+](=O)[O-])nc1C 116548408 ZMXLUCIOXWSWMG-SFHVURJKSA-N 436.512 4.158 5 20 IIBD O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 116637605 MJMVCKSXELTYDD-UHFFFAOYSA-N 442.431 4.233 5 20 IIBD C[C@@H](c1ccccc1Br)N(C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 195733099 AZYKGZBUAICNNL-JTQLQIEISA-N 433.711 4.392 5 20 IIBD CCN(CC(=O)Nc1c(Cl)cccc1Cl)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 217103079 LIRPADISGYNSLG-LBPRGKRZSA-N 439.299 4.189 5 20 IIBD COc1cc(CCNC(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)c([N+](=O)[O-])cc1OC 217474648 KNQAQWNZHHOXOW-GJZGRUSLSA-N 438.402 4.093 5 20 IIBD Cc1ccc([C@@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)N2CCOCC2)cc1 237976686 JPJYNFIAAZZYBP-JOCHJYFZSA-N 438.553 4.190 5 20 IIBD O=c1c(Cl)c(NCc2ccc(OC3CCCC3)nc2)cnn1-c1ccc([N+](=O)[O-])cc1 301198414 VIHZJHLVCSVBAY-UHFFFAOYSA-N 441.875 4.123 5 20 IIBD CN(CC(=O)Nc1c(Cl)cccc1Cl)c1ncc(Br)cc1[N+](=O)[O-] 301711438 XWPDIJDVPMQEMV-UHFFFAOYSA-N 434.077 4.134 5 20 IIBD C[C@H](c1ccccc1)N1CCC(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 303742737 YTLMYUYPTMKXJX-HXUWFJFHSA-N 439.559 4.497 5 20 IIBD C[C@@H](NC(=O)c1cc(Cl)ccc1I)c1cccc([N+](=O)[O-])c1 318547070 XDHDKPTWBVFSKD-SECBINFHSA-N 430.629 4.344 5 20 IIBD C[C@H](O)CCN(C)C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 426483815 JXLAUPKZFXSXPZ-LBPRGKRZSA-N 425.844 4.092 5 20 IIBD CN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@H](c1ccc(Cl)cc1)c1cnccn1 427412286 IJZNZIKJMOGTSP-OAQYLSRUSA-N 448.870 4.086 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N1CCn2cncc2C1 427502813 VMXVESALQBMZHO-BOPFTXTBSA-N 445.504 4.374 5 20 IIBD Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1SCCO 428245094 DYVIQVWZCYLNGI-UHFFFAOYSA-N 438.918 4.047 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CC[C@@H](OCc4ccncc4)C3)c([N+](=O)[O-])c2)cc1 428261861 VOMWIVJEGXNDFY-OAQYLSRUSA-N 432.480 4.346 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCc2sccc2[C@@H]1c1cccs1 429810191 TUUTVBZEVNTPJA-LJQANCHMSA-N 441.534 4.447 5 20 IIBD O=C(NCc1cc(F)ccc1Br)c1ccc(Br)cc1[N+](=O)[O-] 429837160 KTEXQPSLYOLPMF-UHFFFAOYSA-N 432.043 4.189 5 20 IIBD COc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c(Br)c1 431460852 XPLWHSGHRGIHHQ-UHFFFAOYSA-N 430.052 4.381 5 20 IIBD CCOC(=O)c1cnn(-c2cccc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])c2)c1C 431946509 QIQNSEGJNRAWLY-UHFFFAOYSA-N 436.468 4.182 5 20 IIBD O=C(Nc1c(-c2ccncc2)nc2ccccn12)c1cc(Br)cc([N+](=O)[O-])c1 432738227 PWOVRAIMRYOCHS-UHFFFAOYSA-N 438.241 4.319 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1ccccc1I 434008688 PWIPQASXJXTMER-UHFFFAOYSA-N 438.265 4.179 5 20 IIBD CCOc1cc(CN2CCN(C(=O)c3cc4ccccc4s3)CC2)ccc1[N+](=O)[O-] 434797600 ZEBRCUWQMYJFBV-UHFFFAOYSA-N 425.510 4.166 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 437377198 ORNDGNDMYBUTOH-IINYFYTJSA-N 434.292 4.239 5 20 IIBD COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 439169985 PUMXWLJCTAKCIU-UHFFFAOYSA-N 449.529 4.056 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N2CCC[C@H]2c2cccs2)cc1[N+](=O)[O-] 439250438 VQPPAZSLICBSCA-ZDUSSCGKSA-N 431.333 4.253 5 20 IIBD O=C(NCC(=O)N1CCCCC[C@H]1/C=C\c1ccccc1)c1c(Cl)cccc1[N+](=O)[O-] 440863573 CFQJHIYVMYARIM-HWOXTHGCSA-N 441.915 4.463 5 20 IIBD COc1ccc(CNCc2cccc(N3CCC3=O)c2)cc1OCc1ccc([N+](=O)[O-])cc1 441195318 IZPVFNWCGVHNBS-UHFFFAOYSA-N 447.491 4.209 5 20 IIBD O=C(NCCOc1cccc(C(F)(F)F)n1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444257067 CFHUSFVSDFFJFT-UHFFFAOYSA-N 445.372 4.043 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCC(CO)(Cc3ccccc3)CC2)cc1[N+](=O)[O-] 444611017 QOEUGFOYGUKGLU-UHFFFAOYSA-N 447.329 4.123 5 20 IIBD CC(C)c1nccn1Cc1cccc(NC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 444850480 OKDANNOEZIHOLQ-UHFFFAOYSA-N 433.472 4.161 5 20 IIBD COc1cc([C@H](C)NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)ccc1OCC(C)C 445488981 IUMHOGBHXZGKLC-INIZCTEOSA-N 427.501 4.467 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC(c2nc3ccccc3[nH]2)CC1 445528038 KWSDRYBRVOMUSK-UHFFFAOYSA-N 443.301 4.182 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 446088146 DVLMEIHJIWQKQD-IBGZPJMESA-N 431.920 4.139 5 20 IIBD CO[C@@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 460324328 ZTERMRCBSLDXAV-INIZCTEOSA-N 432.782 4.307 5 20 IIBD O=C(c1nn(-c2ccccc2F)c2c1CCC2)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 460353811 QRBXUJJXSNACTQ-JOCHJYFZSA-N 438.484 4.296 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N(Cc2ccc(F)cc2)CC(F)(F)F)cc1OC 460459152 QGZFLGULGAMTLF-UHFFFAOYSA-N 430.354 4.346 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(-c2c[nH]c(C(=O)OC)c2)cs1 462437210 OFFPEACBPROJML-CYBMUJFWSA-N 428.470 4.040 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H](CO)Cc1ccccc1OC(F)(F)F 463972966 FWGJRNALGKWQQA-CQSZACIVSA-N 441.406 4.083 5 20 IIBD COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])c(C)cc1C 468536562 NJDHRVNDAVVLNZ-ZDUSSCGKSA-N 428.894 4.080 5 20 IIBD Cc1cc(CNC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)ccc1-c1ccccc1 469821609 OWLNOXZKJFPMFL-UHFFFAOYSA-N 443.459 4.154 5 20 IIBD O=C(c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)N1C[C@@H](c2ccccc2)c2ccccc21 470211934 OGFXJPXSDXXZIE-IBGZPJMESA-N 441.443 4.041 5 20 IIBD CCOc1ccccc1[C@@H](CC(C)C)NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 470244550 ADMFATDXLDEEFP-QGZVFWFLSA-N 447.919 4.280 5 20 IIBD Cc1ccc(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1OCC1CCOCC1 470393529 NSIHCYVOIBDZBE-UHFFFAOYSA-N 441.484 4.004 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O 470612004 LFNCOUDLWNOXAA-UHFFFAOYSA-N 429.835 4.010 5 20 IIBD CC[C@H](NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)C1CCOCC1 470663189 WDBLSWYNLZDZKF-HNNXBMFYSA-N 427.288 4.022 5 20 IIBD CCc1ccc(C(=O)N2CCCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] 472019294 WHMKAJYMENMSMW-UHFFFAOYSA-N 430.892 4.191 5 20 IIBD O=C(c1cc(O)cc([N+](=O)[O-])c1)N(CCCn1ccnc1)Cc1c(F)cccc1Cl 476017187 CQGMNIGDIAZAGH-UHFFFAOYSA-N 432.839 4.022 5 20 IIBD CC(C)C[C@]1(CO)CCCN1C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 476467841 OZYFDVRCJAQMAC-SBUREZEXSA-N 426.517 4.176 5 20 IIBD CCN1CCc2nc3ccccc3c(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])c2C1 479392571 RLDNBPHFLVTGFV-UHFFFAOYSA-N 438.915 4.147 5 20 IIBD CS(=O)(=O)N(CCOc1ccc([N+](=O)[O-])cc1-c1cccs1)Cc1ccccc1 479406175 IXABXJBWBVFIGS-UHFFFAOYSA-N 432.523 4.164 5 20 IIBD COc1cc(C(=O)N[C@@H](Cc2ccc(O)cc2)c2nc3ccccc3[nH]2)cc([N+](=O)[O-])c1C 479631189 YMMPNRRFXZWOML-FQEVSTJZSA-N 446.463 4.208 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)N1CC[C@H](N2CCCC2=O)C1 481280833 DDOSCRQEVFVGRJ-INIZCTEOSA-N 445.928 4.236 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 482376198 FBOORGFGXVPHSP-HNNXBMFYSA-N 449.332 4.308 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)cn2)cc1 483929882 SMGFXUXEQYHQQS-UHFFFAOYSA-N 448.435 4.417 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1[N+](=O)[O-] 487834601 IJSMIUPUSJNZRD-ZDUSSCGKSA-N 425.411 4.226 5 20 IIBD CCc1ccccc1-n1cnnc1SCC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 488048712 ZJVQQKZCMCXISQ-OAHLLOKOSA-N 425.514 4.016 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@H]2CCC[C@H](c3ccccc3)C2)ccc1[N+](=O)[O-] 489638633 LEKOTSPNYHWBPH-IEIRFRATSA-N 435.524 4.350 5 20 IIBD CNC(=O)c1ccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1Cl 489986500 ZYNAGQNSQOJVSR-OKILXGFUSA-N 444.919 4.342 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2c(C)cc(Br)cc2C)cc1[N+](=O)[O-] 494019966 WORIOLYXSRGBBI-ZDUSSCGKSA-N 434.290 4.098 5 20 IIBD CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCc1cccc(OC(F)F)c1 496493007 LADMGOQFPZZKQA-UHFFFAOYSA-N 433.367 4.138 5 20 IIBD Cn1cc(C(=O)NCCc2csc(-c3ccccc3)n2)c(-c2ccc([N+](=O)[O-])cc2)n1 497351348 OAWSQJAGXVULOW-UHFFFAOYSA-N 433.493 4.091 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2cccc(Cl)c2)cc1SC 497884988 RSPFQIMSOXDUJY-UHFFFAOYSA-N 437.949 4.183 5 20 IIBD O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 498212287 NJHZHSDHQYMPKJ-JTQLQIEISA-N 431.773 4.415 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CN3CCO[C@@H](c4ccc(OC(F)F)cc4)C3)co2)cc1 499257061 RSBFPUNAXMOVRO-LJQANCHMSA-N 431.395 4.425 5 20 IIBD Cc1ccccc1-n1nccc1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 499303113 WMNDVLCIRFVFKV-UHFFFAOYSA-N 430.468 4.203 5 20 IIBD CSc1ccc(C(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)cc1[N+](=O)[O-] 500017539 JPVRINUFHKUFNS-UHFFFAOYSA-N 442.541 4.384 5 20 IIBD Cc1cc(N(C)C)cc(C)c1NC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 501194702 AIXFRJDZUZBVHY-LJQANCHMSA-N 442.516 4.482 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)N(S(=O)(=O)c1c(Cl)cc(F)cc1Br)CCC2 502450682 JVINGVHVXKAEPV-UHFFFAOYSA-N 449.685 4.291 5 20 IIBD Cc1cc(=O)c(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)nn1-c1ccccc1[N+](=O)[O-] 505710700 LWFVZVNCGWMNPB-UHFFFAOYSA-N 447.451 4.140 5 20 IIBD Cn1cc(C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)c(-c2ccc([N+](=O)[O-])cc2)n1 505968354 QZYIFHFZJNBUIG-UHFFFAOYSA-N 445.401 4.126 5 20 IIBD C[C@@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Oc1ccccc1 506143056 FPWIGDLFTXBIOU-QGZVFWFLSA-N 433.464 4.384 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCO[C@H](c2ccccc2Cl)C1 509199906 ZPXPWSJBKQDLAT-INIZCTEOSA-N 427.791 4.455 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 509697331 LOIJJZFURGIQMU-UHFFFAOYSA-N 443.459 4.446 5 20 IIBD O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N1CCCc2ccc([N+](=O)[O-])cc21 509965350 AVDIUZRXKAUIIA-UHFFFAOYSA-N 430.873 4.370 5 20 IIBD Cc1cc(C(=O)NC2CCCCC2)ccc1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] 511149669 ITAQYSMZDMWRLF-UHFFFAOYSA-N 431.514 4.075 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)cc1 511296637 QBBJUDZDHDAKQU-KRWDZBQOSA-N 430.404 4.064 5 20 IIBD Cc1cc(-c2noc([C@H](C)NC(=O)N(C)CCc3cccc([N+](=O)[O-])c3)n2)ccc1F 511575814 AHISXDZADIIZDH-AWEZNQCLSA-N 427.436 4.037 5 20 IIBD C[C@@H](NC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cccc([N+](=O)[O-])c1 512093031 XOHQRCIPNNXWBT-KDOFPFPSSA-N 436.434 4.248 5 20 IIBD C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 512183092 TYURQLLGQSTAGO-CQSZACIVSA-N 431.539 4.164 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)cc1OC 512494209 NYFAHYUSIMTRPK-IBGZPJMESA-N 447.919 4.222 5 20 IIBD CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)s1 513039443 AOQYLYBHZXNIDL-QWHCGFSZSA-N 429.502 4.022 5 20 IIBD CCOc1cccc(CN[C@@H](c2ccc([N+](=O)[O-])cc2)c2nccn2C)c1OC(F)F 513677992 GEVMZIQTGGTDFJ-SFHVURJKSA-N 432.427 4.208 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(-c4nncn4C)cc3)cc2[N+](=O)[O-])C1 514559376 ZJZDWVHZEVPLPU-IYBDPMFKSA-N 434.500 4.125 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OC(F)F)cc2OC(F)F)c(Cl)c1 515633551 LRYJIYQBNGCQTG-UHFFFAOYSA-N 444.746 4.252 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 516341783 ZKOCYEIKVPPKDO-UHFFFAOYSA-N 447.904 4.034 5 20 IIBD O=C(CCN1CCCCC1)Nc1cccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 518361317 BOSUDJVGDSZPTO-UHFFFAOYSA-N 430.892 4.315 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 518834975 PFTGICQLKGUYMY-OLZOCXBDSA-N 446.891 4.177 5 20 IIBD Cc1c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)nnn1-c1ccc2ncccc2c1 519515735 UDEFVRVTFGLVQF-UHFFFAOYSA-N 430.468 4.083 5 20 IIBD O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 519570112 APKVXMYUOZEATP-UHFFFAOYSA-N 431.408 4.225 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccc(C(F)(F)F)cc1 522323573 SXEBURNAVJCPAO-PXNSSMCTSA-N 449.429 4.182 5 20 IIBD O=C(NCCC(=O)N(Cc1cc(F)ccc1F)c1ccccc1)c1ccc([N+](=O)[O-])cc1 522585827 UNNJMPODLTXDCQ-UHFFFAOYSA-N 439.418 4.226 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ccc(Cl)cc1-n1cccc1 522670002 WQHZPLRXOVAEKH-UHFFFAOYSA-N 433.251 4.061 5 20 IIBD COC(=O)c1cc(NC(=O)c2c(-n3cccc3)sc3c2CCSC3)cc([N+](=O)[O-])c1 522865634 NFEMGXACMLEUEP-UHFFFAOYSA-N 443.506 4.275 5 20 IIBD Cc1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1NC(=O)CN1CCCCC1 522878542 KQDSPPUIWXZZPB-UHFFFAOYSA-N 430.892 4.233 5 20 IIBD Cc1cc([C@H]2CCCN2C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)on1 522936555 NJNLFEKKIFVPIG-OAHLLOKOSA-N 436.255 4.361 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N2CCc3c(ccc(Cl)c3Cl)C2)c([N+](=O)[O-])c1 523549060 VXNXFILWMFTCKB-UHFFFAOYSA-N 431.279 4.429 5 20 IIBD COC(=O)c1cc(NCc2ccc(OC)c([N+](=O)[O-])c2)c2cc(Br)ccc2n1 524845849 PIMORQVAPPAZNF-UHFFFAOYSA-N 446.257 4.313 5 20 IIBD O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@@H](c1ccc(Cl)cc1)c1ccccc1Cl 525703028 VHXKJXLAZUFEPL-KRWDZBQOSA-N 438.292 4.365 5 20 IIBD Cc1ccc(-c2ncco2)cc1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 536265489 VUVYLJFACBDSMZ-UHFFFAOYSA-N 436.453 4.090 5 20 IIBD COc1ccc(C[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c2ccccc2)cc1OC 538161114 YJAZKKKUANXPFM-QFIPXVFZSA-N 449.507 4.433 5 20 IIBD CN(Cc1ccccc1)CC1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 538739795 GRQXLXZBNQDDNC-UHFFFAOYSA-N 433.556 4.339 5 20 IIBD COc1ccc([C@@H](OC)[C@H](C)NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1 540094661 VONOCPHWDDJSKI-SGTLLEGYSA-N 437.290 4.180 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc(C)c(NC(=O)Nc2ccccc2)c1 544129679 KEOXXBSSQJZLLQ-UHFFFAOYSA-N 434.452 4.486 5 20 IIBD COc1cc(/C=C\c2nc(CCNc3ccccc3[N+](=O)[O-])no2)cc(Cl)c1OC 544532448 IPPIASJJWUYATM-FPLPWBNLSA-N 430.848 4.473 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(Cc2nc(-c3ccccc3)nn2C)no1 545135494 IVDXOVDBBZUDEP-GFCCVEGCSA-N 440.847 4.158 5 20 IIBD CCN(Cc1ccccc1Br)C(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 545286770 WAXQNTPCARFAJZ-UHFFFAOYSA-N 430.258 4.273 5 20 IIBD Cc1ccc(C)c(Oc2ccc(CNS(=O)(=O)Cc3ccccc3[N+](=O)[O-])cn2)c1 545386276 BEMAKXXOXQNXJW-UHFFFAOYSA-N 427.482 4.019 5 20 IIBD COc1ccc(COc2ccc(-c3noc(COc4ccc([N+](=O)[O-])cc4)n3)cn2)cc1 545655235 RHZUXIHJBCJNGT-UHFFFAOYSA-N 434.408 4.206 5 20 IIBD CS(=O)(=O)c1ccc(N2CC=C(c3cccc(Br)c3)CC2)c([N+](=O)[O-])c1 545873316 SCAPIZXFDCNVAZ-UHFFFAOYSA-N 437.315 4.055 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CCc3c2cccc3C(F)(F)F)ccc1[N+](=O)[O-] 546064745 FHKOLVAUZRQLKJ-LJQANCHMSA-N 447.413 4.116 5 20 IIBD O=c1c2ccccc2n(Cc2nc(-c3ccc(N4CCOCC4)cc3)no2)c2ccccc12 547119411 RZPMALNCYHJLMV-UHFFFAOYSA-N 438.487 4.090 5 20 IIBD O=[N+]([O-])c1cc2c(O)ncnc2cc1N1CC=C(c2cccc(Br)c2)CC1 547287089 AEMVOSNGXGTPAY-UHFFFAOYSA-N 427.258 4.300 5 20 IIBD CN(CCN1CCCC1=O)C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 547352685 QDNVFIMCWZYUNV-UHFFFAOYSA-N 433.917 4.094 5 20 IIBD CCn1c(C2CC2)nnc1N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 549034854 OKADSATWPJFUSI-UHFFFAOYSA-N 438.557 4.134 5 20 IIBD CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 551820206 UZBBIVZPDCAVPB-SFHVURJKSA-N 449.554 4.016 5 20 IIBD Cc1cc(C(=O)Nc2cccc(NS(=O)(=O)Cc3ccccc3)c2)cc([N+](=O)[O-])c1 553648967 OOUGERXCKABOCW-UHFFFAOYSA-N 425.466 4.097 5 20 IIBD CC1CCN(Cc2ccc(CN[C@@H](c3cccc([N+](=O)[O-])c3)c3nccn3C)cc2)CC1 556865670 VISIPWQVZPPVQR-DEOSSOPVSA-N 433.556 4.439 5 20 IIBD CC(=O)c1cc(N[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)ccc1[N+](=O)[O-] 557644242 RPZLJNWPDWWNDL-GOSISDBHSA-N 435.402 4.419 5 20 IIBD CCCC(=O)Nc1ccc(CNC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1 559516913 BRTRWWJXUXHNFT-UHFFFAOYSA-N 434.290 4.334 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)NC1(c2cccc(C(F)(F)F)c2)CC1 559848351 JASJLHVDFHHZPU-UHFFFAOYSA-N 427.766 4.011 5 20 IIBD O=C(COCc1cccnc1)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 561585027 WIHSGLMNKLJZCO-UHFFFAOYSA-N 445.834 4.408 5 20 IIBD Cc1cccc(-c2cnc(NC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)s2)c1 561743471 ZEHCTBUWEMOBPG-UHFFFAOYSA-N 438.465 4.354 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CC[C@H](C(F)(F)F)[C@H](CO)C1 562214017 BZMXLACKBJUBME-UGSOOPFHSA-N 439.390 4.412 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cncc(Cl)c1Br 572641432 IVJHVVXCLIEEBQ-ZETCQYMHSA-N 435.061 4.465 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2 574427597 AVDASKFZBXWVRC-UHFFFAOYSA-N 445.475 4.378 5 20 IIBD C[C@@H](C(=O)N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1 584697731 LKVDWIHMZCZPRK-IVZQSRNASA-N 430.464 4.380 5 20 IIBD Cc1c(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)nnn1-c1cccc([N+](=O)[O-])c1 603492176 QUQDJBSANCHASH-UHFFFAOYSA-N 440.891 4.380 5 20 IIBD CCS(=O)(=O)c1ccccc1NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 603571889 AZRAKCUQVBSNRD-HOTGVXAUSA-N 445.541 4.123 5 20 IIBD COc1ccc(NC(=O)CNc2ccc(Cl)cc2NC(=O)c2ccco2)c([N+](=O)[O-])c1 604007985 ZMMCYBRTAKZMJS-UHFFFAOYSA-N 444.831 4.153 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] 608802587 YILHACABITVPHD-LIRRHRJNSA-N 449.429 4.404 5 20 IIBD Cc1ccc(C)c(Oc2ccc(CNC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)cn2)c1 608937479 AHUSTGSEQSYQSQ-UHFFFAOYSA-N 435.436 4.100 5 20 IIBD O=C(Nc1cc(-c2cccc(Cl)c2)nn1CCO)c1cc2cc([N+](=O)[O-])ccc2o1 608944378 ZWVOGNWYWIJFKG-UHFFFAOYSA-N 426.816 4.103 5 20 IIBD O=C(N[C@@H](CN1CCCCC1)c1ccccc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 609017974 LULJIUZAKFJZQE-QFIPXVFZSA-N 436.556 4.155 5 20 IIBD O=C(Nc1nc2c(C(F)(F)F)cccc2s1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 609443683 YYCYVNWHVUEDRZ-UHFFFAOYSA-N 434.359 4.056 5 20 IIBD O=C(Nc1nc(-c2ccccc2)cs1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 609496036 JHCAXXOBLBSSMZ-AWEZNQCLSA-N 428.495 4.023 5 20 IIBD CCOC(=O)c1ccnc(NCc2cccc(NC(=O)c3ccc(F)cc3)c2)c1[N+](=O)[O-] 609961527 SSJXPMCZWSRQAB-UHFFFAOYSA-N 438.415 4.170 5 20 IIBD CCOC(=O)c1ccnc(N2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)c1[N+](=O)[O-] 609964676 TYXUVIPRCRUGJG-UHFFFAOYSA-N 439.512 4.464 5 20 IIBD CSc1nnc(CCCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)n1C1CCCC1 610037750 PPAUNAUTCOUUEE-UHFFFAOYSA-N 431.562 4.050 5 20 IIBD Cc1ccc(NCCCNC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)c([N+](=O)[O-])c1 610102308 RYZBROCWRGTXPF-KRWDZBQOSA-N 437.500 4.436 5 20 IIBD CC[C@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)C(C)(C)c1ccccc1 610177410 KQEQWBDGXQUSIZ-IBGZPJMESA-N 439.541 4.361 5 20 IIBD CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 610210311 IQDMQLOCMQJXGC-RXVVDRJESA-N 447.944 4.277 5 20 IIBD O=C(COCc1nc2ccccc2s1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 618713528 QWPAADXFQKTSRS-UHFFFAOYSA-N 425.388 4.056 5 20 IIBD Cc1ccc(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c(N2CCCC2)n1 618858440 IJRCOQGJUMGLST-UHFFFAOYSA-N 446.507 4.407 5 20 IIBD CSCc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cc1 727329627 LWFKBZVWEIOXRT-UHFFFAOYSA-N 439.459 4.439 5 20 IIBD COc1ccc([C@@H](C)N(C)C(=O)c2ccc(I)c([N+](=O)[O-])c2)cc1 727747952 FJFGXBVKBYWWCW-LLVKDONJSA-N 440.237 4.041 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1)c1ccc(F)cc1 728246447 HIYYGNKYVIDIAH-UHFFFAOYSA-N 446.394 4.391 5 20 IIBD O=C(Nc1ncccc1OCC1CCCCC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 729244885 OCDFBEODPRQASQ-UHFFFAOYSA-N 440.500 4.038 5 20 IIBD Cc1ccsc1C(=O)Nc1ccc(OS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1 729483955 DCCJFRWAGJDLOM-UHFFFAOYSA-N 432.479 4.293 5 20 IIBD Cc1nn2cc(CCCOC(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)cnc2c1C 729903437 VMSNAHNZBOFRDX-UHFFFAOYSA-N 437.500 4.034 5 20 IIBD Cc1ccc(-c2csc(NC(=O)COC(=O)c3c(Cl)cccc3[N+](=O)[O-])n2)cc1 730642349 CJYZGCJNCBLOCA-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD O=[N+]([O-])c1ccc2nc(N3CCN(c4c(F)c(F)c(F)c(F)c4F)CC3)sc2c1 731206065 YZUCTUMNOPDDHH-UHFFFAOYSA-N 430.358 4.227 5 20 IIBD CC(C)(Oc1cccc(Cl)c1)C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 733014366 ZDZXDNRMPBCCLT-UHFFFAOYSA-N 427.240 4.241 5 20 IIBD Cn1cc(C(=O)OCc2ccc(OCc3ccncc3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 733462976 QELFJXUPQPVRGN-UHFFFAOYSA-N 444.447 4.326 5 20 IIBD O=C(c1ccc(Oc2ccncc2)c(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 733911146 STDLUPHZZCSXMY-UHFFFAOYSA-N 438.871 4.398 5 20 IIBD O=C(N[C@H](Cc1ccccc1)C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 734884510 SYUCODGSMZIEEF-HXUWFJFHSA-N 438.867 4.333 5 20 IIBD Cc1nn(Cc2ccc(C(=O)OCc3ccc(Cl)cc3[N+](=O)[O-])cc2)c(C)c1[N+](=O)[O-] 734890836 ZGJWSEYQRKIHMF-UHFFFAOYSA-N 444.831 4.375 5 20 IIBD CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 735397817 FILJKLDSQIELEJ-MUKKUYKPSA-N 430.457 4.009 5 20 IIBD Cc1cc(NC(=O)CCC(C)(C)NC(=O)OC(C)(C)C)n(-c2ccc([N+](=O)[O-])cc2)n1 737491496 ZVPNOPQRRBQYEF-UHFFFAOYSA-N 431.493 4.111 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])ccc1Br)[C@H](c1cccc(F)c1)c1cnn(C)c1 737533424 WZYCNVGXXCCYSW-GOSISDBHSA-N 447.264 4.092 5 20 IIBD O=C(Nc1ccc(OC2CCCC2)c(F)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 742022628 AYDUGLPSYQWLGZ-UHFFFAOYSA-N 429.448 4.144 5 20 IIBD CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)Cn1c([N+](=O)[O-])cnc1C 743545142 MWZBYKFJSONTOZ-UHFFFAOYSA-N 442.497 4.260 5 20 IIBD COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c(C)c1 745335895 DNRFSXJWEQVONY-NSHDSACASA-N 426.347 4.115 5 20 IIBD O=C(OCCn1ccc([N+](=O)[O-])n1)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1 748125132 NINSMNQNIVODEA-UHFFFAOYSA-N 434.235 4.186 5 20 IIBD CCc1nc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)nn1-c1ccccc1Cl 748213073 UGIVYCUDRBOOBS-UHFFFAOYSA-N 434.283 4.317 5 20 IIBD O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 748663108 LUYRDGZMKHFQGD-UHFFFAOYSA-N 443.916 4.239 5 20 IIBD Cc1c(C(=O)OCC(=O)N(Cc2ccccc2)C(C)(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748946192 DMARTMRFBDHLOO-UHFFFAOYSA-N 443.456 4.104 5 20 IIBD C[C@@H](c1nnc(SC[C@H](O)c2cccc([N+](=O)[O-])c2)n1-c1ccc(Cl)cc1)N(C)C 749637943 FWAYICJFXLGQIF-UGSOOPFHSA-N 447.948 4.277 5 20 IIBD Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1cc([N+](=O)[O-])ccc1Br 751077754 ZIJHQYUIITWCMK-QFBILLFUSA-N 430.302 4.114 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1[N+](=O)[O-] 752025464 YEIMDJIYACBUKP-OAHLLOKOSA-N 428.445 4.125 5 20 IIBD C[C@H](OC(=O)c1c(F)ccc([N+](=O)[O-])c1F)C(=O)NC(c1ccccc1)c1ccccc1 752564650 GGOBLUYBVNBIPE-AWEZNQCLSA-N 440.402 4.324 5 20 IIBD CCN(CC1CCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1)C(=O)OC(C)(C)C 754419357 PKRRLIBLRRPLLY-OAHLLOKOSA-N 437.512 4.333 5 20 IIBD CCCCOc1ncccc1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754986563 JEKGOHSRVCGKGX-UHFFFAOYSA-N 426.242 4.000 5 20 IIBD C[C@H](C(=O)O[C@H](C)C(=O)Nc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1F 755069160 UYUYSPKZKNGDDC-WDEREUQCSA-N 439.237 4.170 5 20 IIBD C[C@H](OC(=O)c1ccc(CN2CCCC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 755427393 NUDNEANUOOZJIA-AWEZNQCLSA-N 431.876 4.028 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)OCc1nnc(-c2ccc(Br)s2)o1 756536023 PILBQZWECHEDFZ-UHFFFAOYSA-N 438.259 4.145 5 20 IIBD CC(=O)N[C@@H](CC(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(Cl)cc1 760464577 KXMMYOLYCPMXMZ-IBGZPJMESA-N 443.843 4.214 5 20 IIBD O=C(Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cncnc1 760600362 YPKHCWJHCIKQKE-UHFFFAOYSA-N 433.207 4.163 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H](CCO)c2cccs2)cc1 761934092 OBRKFKHBGZEFJV-SFHVURJKSA-N 428.466 4.311 5 20 IIBD O=C(OCc1csc(Nc2ccccc2)n1)c1cc([N+](=O)[O-])ccc1SCCO 763740336 BXBDUPDSEQARJL-UHFFFAOYSA-N 431.495 4.236 5 20 IIBD COc1ccccc1-c1nc(COC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cs1 763871330 VNPRJVFHZRTBLT-UHFFFAOYSA-N 436.449 4.270 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Oc1cc(C(=O)N2CCSCC2)ccc1C 765019986 NTVOUGBVHPWYCU-SFHVURJKSA-N 442.537 4.267 5 20 IIBD O=C(O[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1ccc([N+](=O)[O-])c2cccnc12 766230983 RZENDUDRBXWVAX-KRWDZBQOSA-N 445.353 4.124 5 20 IIBD CC[C@@H]1CCCC[C@H]1OCC(=O)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C 766346498 JXXMBOKFKHFHLT-VQIMIIECSA-N 430.505 4.367 5 20 IIBD COc1cc(N2CCC(OC(=O)C34C[C@H]5C[C@@H](CC(F)(C5)C3)C4)CC2)ccc1[N+](=O)[O-] 766380146 MMGBAYWTZCXMMS-SNTCSEMISA-N 432.492 4.424 5 20 IIBD Cc1c(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 770320272 UPKPCHXKSWPYHW-UHFFFAOYSA-N 439.178 4.043 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCc1nnc(-c2ccc(Cl)cc2)n1C 770419024 PKLNIRREIYXNKX-HNNXBMFYSA-N 428.876 4.356 5 20 IIBD O=C(Oc1ccc(NC(=O)c2cccs2)cc1)c1cc([N+](=O)[O-])c2nsnc2c1 771501303 GFTUORPTFNKDQM-UHFFFAOYSA-N 426.435 4.133 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H](O)c2c(Cl)cccc2Cl)cc1OC 771719891 OYGZOXIYRWNQBH-XTZNXHDOSA-N 443.283 4.161 5 20 IIBD C[C@H](OC(=O)[C@H](C)c1cn(C)c2ccccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 772834377 JSNPAZBDEKHYGE-OLZOCXBDSA-N 429.860 4.414 5 20 IIBD COc1cc(/C=C(\C(=O)NCCOc2ccc([N+](=O)[O-])cc2)c2ccccc2)ccc1O 772948426 QVUOGVXYNAPVFN-QNGOZBTKSA-N 434.448 4.045 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccccc1OCC(=O)Nc1ccccc1F)CC2 774222119 IQJODTDSHUMACA-UHFFFAOYSA-N 449.438 4.263 5 20 IIBD C[C@H]1CN(c2ccc(NC3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2F)C[C@@H](C)O1 776852027 JZXIGRJXOGGTHM-CALCHBBNSA-N 428.508 4.428 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(C(F)(F)F)cc1 778143924 NCWPIUQOMLXDIO-OAHLLOKOSA-N 430.766 4.301 5 20 IIBD COc1cc(CN2CCC([C@H](O)c3ccccc3)CC2)c([N+](=O)[O-])cc1OCC(F)F 778995086 QFFOIAHZWGUCGG-JOCHJYFZSA-N 436.455 4.193 5 20 IIBD O=C(Cc1ccccc1Cl)NCCCOC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 781461681 BUQIFWHZXIXJIG-UHFFFAOYSA-N 448.906 4.241 5 20 IIBD Cc1c(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nnn1Cc1ccc(C(F)(F)F)cc1 781967480 YPJDRUYIGNPOJS-UHFFFAOYSA-N 439.781 4.468 5 20 IIBD C[C@@H](OC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1cccc(Br)c1 782547807 DQAWKDIVOKPWDL-GFCCVEGCSA-N 449.257 4.350 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N[C@@H](Cc1ccccc1)c1ccccc1F 783327478 PPTNRXGZSIAXOB-IBGZPJMESA-N 441.846 4.426 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1cccc(C(F)(F)F)c1 786748975 TUFUDBJKBMFHGT-SECBINFHSA-N 436.795 4.068 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)cc1SC 789046140 KAYUUZHWTBCLID-KRWDZBQOSA-N 444.509 4.213 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC(Nc2cccc(Br)c2)CC1 790213992 AKCUEHQVHJZNKB-RMKNXTFCSA-N 430.302 4.474 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccc(Cl)cc1C(=O)NCC1CC1 790927447 HREUZNYIGZPJKO-UHFFFAOYSA-N 440.258 4.362 5 20 IIBD C[C@H](OC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1nnnn1C1CC1 791275478 FJFMOYMXRMIDCZ-NSHDSACASA-N 429.820 4.280 5 20 IIBD Cc1c(COC(=O)c2nc(Br)ccc2Br)cccc1[N+](=O)[O-] 791560383 UPMGCQLGDBTBDE-UHFFFAOYSA-N 430.052 4.180 5 20 IIBD Cn1nc(C(F)F)c2cc(C(=O)OCc3cnc(-c4ccc([N+](=O)[O-])cc4)o3)sc21 791600393 YSNXDGRFAWXGTL-UHFFFAOYSA-N 434.380 4.493 5 20 IIBD CCOC(=O)c1csc([C@@H]2CCCN2Cc2c(Br)cccc2[N+](=O)[O-])n1 792196995 NUBISVWZXDRKLX-HNNXBMFYSA-N 440.319 4.328 5 20 IIBD O=C(Nc1ccccc1)c1cccc(C(=O)O[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 797137840 RQDNQSFQVSTRPU-VQTJNVASSA-N 434.452 4.384 5 20 IIBD CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=S)Nc1ccc([N+](=O)[O-])cc1 799904631 OUTHZMHPWOHVMS-UHFFFAOYSA-N 441.340 4.237 5 20 IIBD Cc1nc(-c2ccc(Br)cc2)nn1CN(C)CCc1cccc([N+](=O)[O-])c1 800865752 JCGAFQYUJQJPIP-UHFFFAOYSA-N 430.306 4.056 5 20 IIBD Cc1cc(C)cc([C@H](O)CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)c1 801538735 NGVQMTTXWWNJGQ-OAHLLOKOSA-N 427.682 4.091 5 20 IIBD O=C(NCCOC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1Cl 802055345 YYPIGVZDRSWJGE-OAHLLOKOSA-N 448.756 4.251 5 20 IIBD COc1cc(C(=O)NCc2nccnc2Cl)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 808066316 KLHGJWRRQYKXSP-UHFFFAOYSA-N 449.250 4.423 5 20 IIBD O=[N+]([O-])c1c(-c2nc(-c3cn(Cc4ccccc4)nn3)no2)ccnc1-c1ccccc1 904770866 FPFTZDNFBDJPFS-UHFFFAOYSA-N 425.408 4.014 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(-c3ccsc3C(F)(F)F)no2)c1N1CCOCC1 904924489 VGAJTGFXDBKEDI-UHFFFAOYSA-N 426.376 4.229 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OCc2csc(NC(C)=O)n2)cc1 915248975 AWTVSZVEABBIKB-UHFFFAOYSA-N 443.437 4.168 5 20 IIBD O=C(OCc1nc(O)c2ccc(C(F)(F)F)cc2n1)c1ccc(Cl)c([N+](=O)[O-])c1 916596187 FFHCIJWSDDWOIC-UHFFFAOYSA-N 427.722 4.273 5 20 IIBD COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 917919865 ZWCDXHHKCIXGMB-VIFPVBQESA-N 449.710 4.059 5 20 IIBD Cc1cc(-c2csc(NC(=O)[C@H]3CC(=O)N(c4ccc(F)c([N+](=O)[O-])c4)C3)n2)c(C)o1 918183408 ORVRWBFIYWSBJG-LBPRGKRZSA-N 444.444 4.059 5 20 IIBD O=C(Cn1c(Cc2ccccc2)nc2ccccc21)OCCOc1ccccc1[N+](=O)[O-] 918915797 MPRQLUONHSDOJQ-UHFFFAOYSA-N 431.448 4.158 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1F 919195885 MSFYRQLJTMJGJH-NSHDSACASA-N 444.337 4.167 5 20 IIBD CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)Nc1ccc(-c2ccccc2)cc1 919812111 HCMBIAGSAPBWPM-SFHVURJKSA-N 439.493 4.345 5 20 IIBD C[C@H](OC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)C(=O)N1CCCCCC1 920545171 GFXKONXYZYLZDX-IRXDYDNUSA-N 440.500 4.111 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1 920704795 JPSAGQJLMPIHIO-GHMZBOCLSA-N 441.267 4.333 5 20 IIBD CC(C)Oc1cccc(CC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 921099088 KQTIFWLVYHMZQO-UHFFFAOYSA-N 440.374 4.125 5 20 IIBD COc1cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1NC(=O)OC(C)(C)C 921294123 FWLURGFIAIDHMV-UHFFFAOYSA-N 437.474 4.060 5 20 IIBD CCOc1cc(NC(=O)N[C@H](c2ccccc2)c2cnn(C)c2)c([N+](=O)[O-])cc1OCC 1116548010 YBQLWFIIZJAZKU-OAQYLSRUSA-N 439.472 4.037 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)OCc2ccc3nn[nH]c3c2)cc1[N+](=O)[O-] 1122502242 IKPRVWGSPAOPRG-UHFFFAOYSA-N 448.460 4.176 5 20 IIBD CCN(CC)C(=O)C1=C(C)N(c2ccc(C)cc2)C(=S)N[C@@H]1c1ccc([N+](=O)[O-])cc1 1317730005 JGFWKNWQAZUWAR-OAQYLSRUSA-N 438.553 4.481 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1csc(Cc2ccc(Cl)cc2)n1 1317846430 MPAYTJKXEHPRQA-UHFFFAOYSA-N 445.884 4.399 5 20 IIBD O=C1CCCN1CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Br)c2ccccc21 1324150647 LDYWAJPLKYOQEP-OAHLLOKOSA-N 444.329 4.474 5 20 IIBD CCc1nc(C)c([C@H](C)N(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2N)s1 1340051874 VMNQIEQTBWYGQX-VIFPVBQESA-N 427.324 4.100 5 20 IIBD Cc1ccc(C(=O)N(C)C)cc1OC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 1516675865 SGZXMKALUSPUTD-HZPDHXFCSA-N 439.512 4.307 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@H]3CCCSC3)CCC2)cc1)c1ccc([N+](=O)[O-])o1 1785752853 TZGXIXQYEYUBPE-AWEZNQCLSA-N 429.498 4.079 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3cnoc3C3CC3)cc2)CCC1)c1ccc([N+](=O)[O-])o1 1787594491 GPGKURJQHYHWOQ-UHFFFAOYSA-N 436.424 4.115 5 20 IIBD Cc1csc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])c1 1793074339 MTIWKOOFEJMPPO-BJWYYQGGSA-N 447.944 4.113 5 20 IIBD CC[C@@H](C)[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccccc1 1799478000 PHUMEFQEJPVQBG-DRASZATQSA-N 438.528 4.005 5 20 IIBD C[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2cccc([N+](=O)[O-])c2)CCC1 1800040990 STWXJHQPOKNLNE-KQDNOMNESA-N 439.556 4.091 5 20 IIBD O=C(c1cc(F)cc(F)c1)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823614976 JABIZYDQGWGGIH-GOSISDBHSA-N 447.438 4.013 5 20 IIBD Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)c(C)c1 1829946424 HJSDAROKIUHCJQ-FQEVSTJZSA-N 439.512 4.352 5 20 IIBD COc1ccc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)[nH]c2c1 8759976 AHAPOIXRXMXLRZ-UHFFFAOYSA-N 426.376 4.229 5 20 IIBD O=C(COC(=O)COc1ccc([N+](=O)[O-])cc1)Nc1ccccc1Sc1ccccc1 9608025 YUSIMCKMIHLNGQ-UHFFFAOYSA-N 438.461 4.307 5 20 IIBD C[C@@H](OC(=O)CCCc1cccs1)C(=O)/N=c1/[nH]c(-c2cccc([N+](=O)[O-])c2)cs1 11317852 FAQITXIIQFQWCX-CYBMUJFWSA-N 445.522 4.095 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(F)cc3)cc2)cc1[N+](=O)[O-] 11595104 OIZRLJZVWJVZJJ-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD COc1cc(CCNC(=O)c2ccc(C3SCCS3)cc2)c([N+](=O)[O-])cc1OC 16143950 PAFVPTGMPIUXGZ-UHFFFAOYSA-N 434.539 4.063 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)c1ccoc1 16157140 UXGBQNCTOWAIFL-KRWDZBQOSA-N 445.225 4.487 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)c1 16196933 WQGKUGRQMNMSKD-ZDUSSCGKSA-N 430.482 4.339 5 20 IIBD Cc1ccc(-c2cnc(CCC(=O)OCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)o2)cc1 21584678 XZOCSWUVGHIBRL-UHFFFAOYSA-N 434.408 4.284 5 20 IIBD Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])cc1C 22013301 BMAWYIRJJFPARV-UHFFFAOYSA-N 432.432 4.238 5 20 IIBD CC(C)COc1ccc(NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1Cl 30512698 YNKOUOBZCSREQA-UHFFFAOYSA-N 437.905 4.113 5 20 IIBD C[C@@H](Cc1cccs1)NC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 33206156 IOCLOIGGIXMIIC-HNNXBMFYSA-N 437.521 4.314 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCC2)cc1OC 60721310 YPKITPZAMZYGCG-UHFFFAOYSA-N 447.875 4.144 5 20 IIBD Cc1cc(CN[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)no1 63631119 MKRFNKYYCPIGGT-SFHVURJKSA-N 445.273 4.123 5 20 IIBD O=C(Nc1ccccc1)c1ccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1 63951140 CCBWYHDNPWRMOQ-UHFFFAOYSA-N 427.420 4.285 5 20 IIBD O=C(Nc1ccc(-c2cnco2)cc1)c1cc([N+](=O)[O-])ccc1I 97513446 OUUVHYAFHBAVOC-UHFFFAOYSA-N 435.177 4.107 5 20 IIBD CCOC(=O)CN(CC(C)C)C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 117219832 STXVDSHPUUOSGH-UHFFFAOYSA-N 437.543 4.172 5 20 IIBD C[C@@H](OC(=O)/C=C\c1ccc2ccccc2n1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 210944805 WFJRLUQTFXXHPZ-BIRHUZIMSA-N 425.828 4.380 5 20 IIBD COc1cc(CCNC(=O)/C=C(/C)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])cc1OC 216287784 CTHLEDIZWGRNMT-RAXLEYEMSA-N 438.402 4.393 5 20 IIBD CC(C)NC(=O)c1ccc(N2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)c([N+](=O)[O-])c1 301711270 KMOZUPZULNVHSZ-VXKWHMMOSA-N 436.556 4.224 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCC(N2CCc3ccccc32)CC1 410272573 MVYRSHVBYREKCU-UHFFFAOYSA-N 449.429 4.203 5 20 IIBD COc1ccc(C(=O)N2CCCC2)cc1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 426081735 XHSUUMNELJPACH-UHFFFAOYSA-N 438.484 4.036 5 20 IIBD CC(C)Oc1ccc2ccccc2c1CNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 426201724 BHCXFBOOTRATJI-UHFFFAOYSA-N 437.500 4.278 5 20 IIBD O=C(O)c1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 426699356 IFSXKGKZLFVGCU-UHFFFAOYSA-N 428.448 4.436 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N(Cc1cccs1)C[C@H]1CCCO1 426984843 CIRFPILFUSQKIZ-OAHLLOKOSA-N 439.331 4.169 5 20 IIBD Cc1cccc(NC(=O)CN(C)C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1C 435824426 HROIQTFLPDRTJK-UHFFFAOYSA-N 431.467 4.148 5 20 IIBD Cc1cccc(CN2CCN(C(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)CC2)c1 435824459 CXSJKIANHPGRFK-UHFFFAOYSA-N 447.485 4.226 5 20 IIBD C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] 436427761 HXUXKHDKONYEID-JLTOFOAXSA-N 440.887 4.179 5 20 IIBD CCN(CC)C(=O)c1cccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 437556638 JNKBIBHHHCZUNV-UHFFFAOYSA-N 440.500 4.152 5 20 IIBD COc1cc(C(=O)N[C@@H]2CCCC[C@H]2OCCC(C)C)c([N+](=O)[O-])cc1OC(F)F 439163502 GISDSOZWXWXQCT-GDBMZVCRSA-N 430.448 4.309 5 20 IIBD CC(C)(C)OC(=O)[C@@]12CCC[C@H]1CN(CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)C2 439484733 QFMPGDHTJCUZHZ-GAJHUEQPSA-N 427.501 4.236 5 20 IIBD COc1ccc(-c2nnc(Sc3c(F)cc([N+](=O)[O-])cc3F)n2C[C@@H]2CCCO2)cc1 440589103 REPDVKUEXBZHCL-HNNXBMFYSA-N 448.451 4.470 5 20 IIBD Cc1sc2ncn(CC(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc3)c(=O)c2c1C 440598924 NXRWTYFUACCIST-UHFFFAOYSA-N 448.504 4.216 5 20 IIBD O=C(NCCN1C(=O)Cc2ccccc21)c1ccccc1Sc1ccccc1[N+](=O)[O-] 440715602 LLJBJIYDJLYPFX-UHFFFAOYSA-N 433.489 4.065 5 20 IIBD O=C(CSCc1ccc(Cl)cc1Cl)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444638917 XITZYGKQTFUZQU-UHFFFAOYSA-N 425.297 4.328 5 20 IIBD CCN(Cc1ccccc1NC(=O)c1sc(Br)cc1[N+](=O)[O-])C(C)=O 445267608 ZEIASZHERCKXPV-UHFFFAOYSA-N 426.292 4.040 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)Cc1noc(/C=C\c2cccc([N+](=O)[O-])c2)n1 445314367 CPLWAZLCDUERID-SREVYHEPSA-N 428.832 4.300 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccccc1OCC(F)(F)F 445675660 YWDVIQNPRCGRQY-UHFFFAOYSA-N 433.180 4.480 5 20 IIBD CCN(Cc1ccccc1)C(=O)Cc1noc([C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n1 445792357 ZKITXGPNSYBNHZ-CQSZACIVSA-N 444.875 4.362 5 20 IIBD Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1 446031174 JNWSVCWMMLFYFQ-UTKZUKDTSA-N 447.329 4.492 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NC(C)(C)CCC(=O)OC(C)(C)C)cc2)c(C)c1[N+](=O)[O-] 446244138 AVCXOUPBRGUQFB-UHFFFAOYSA-N 444.532 4.087 5 20 IIBD CN1CCC2(CCN(Cc3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)CC2)C1=O 447083705 WQEHHDFPZSGSHT-UHFFFAOYSA-N 429.904 4.485 5 20 IIBD COc1ccccc1-c1csc([C@H]2CCCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C2)n1 447149467 WLJDKYLPOQDEFY-AWEZNQCLSA-N 438.509 4.329 5 20 IIBD O=C(Nc1cc(-c2cccc(F)c2)on1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 448536359 ABHAVIQNRIYVJS-UHFFFAOYSA-N 435.361 5.006 5 20 IIBD CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 461405642 YIKKGXFBJLIBNL-KRWDZBQOSA-N 431.920 4.156 5 20 IIBD NS(=O)(=O)c1cc(NCc2ccccc2COc2ccccc2Cl)cc([N+](=O)[O-])c1 462868439 AFGRKPQSZUXICR-UHFFFAOYSA-N 447.900 4.087 5 20 IIBD COc1cc(CN2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)c([N+](=O)[O-])cc1F 463478471 NTQPRZXLZQOOKR-UHFFFAOYSA-N 442.274 4.007 5 20 IIBD CCC[C@H]1[C@H](C)CCCN1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 464189031 WMXIKANCDOJNHP-IERDGZPVSA-N 445.541 4.436 5 20 IIBD COc1cc(CN2[C@H]3CC[C@H]2CC(N(C)C(=O)c2ccccc2)C3)c([N+](=O)[O-])cc1F 464491042 RWTLIDMIPLJNIW-ROUUACIJSA-N 427.476 4.010 5 20 IIBD CC(C)(C)Oc1ccc(CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c(C(F)(F)F)c1 464517206 JQFJTLHIOQWTAH-UHFFFAOYSA-N 428.411 4.039 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ccc(Cl)cc1OCC(F)(F)F 465141102 REGKAAFIRFHHLT-UHFFFAOYSA-N 446.765 4.142 5 20 IIBD COc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])s2)cc1 466427299 XHSNCTSQGQJSQV-UHFFFAOYSA-N 427.438 4.178 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)c1 468589513 LAILCLIPYLAZTE-HNNXBMFYSA-N 434.290 4.083 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@H](c2c(F)cccc2F)C1 468959067 LICBQLWWELWHTR-LBPRGKRZSA-N 425.229 4.194 5 20 IIBD COc1cccc([C@H](NC(=O)COc2ccccc2[N+](=O)[O-])c2cc(F)ccc2OC)c1 471461141 ZDFGDWWXMKIUBY-QHCPKHFHSA-N 440.427 4.036 5 20 IIBD CC(C)(CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 472625784 BENKWJRVFYRDFF-UHFFFAOYSA-N 428.247 4.073 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 474257228 CJLICLRUHJMMRI-CYBMUJFWSA-N 438.328 4.319 5 20 IIBD CC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1nnc2n1CCCCC2 475216698 PAGNLJGYYCDTJG-ZDUSSCGKSA-N 426.399 4.204 5 20 IIBD COC(=O)[C@@](C)(NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1ccc(Cl)c(Cl)c1 479247389 CJGODOVUSAWAHR-IBGZPJMESA-N 436.251 4.201 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c1C 481569345 KQMWSCDKTQNJAY-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD Cc1c(CNC(=O)C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)cccc1[N+](=O)[O-] 483825420 UKCPYVZGVXWTBC-UHFFFAOYSA-N 425.391 4.103 5 20 IIBD CCOC(=O)c1cc(F)c(F)cc1NC(=O)c1sc(Br)cc1[N+](=O)[O-] 485927050 SCWBMSMUOJQPGP-UHFFFAOYSA-N 435.202 4.126 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1nc(-c2ccc(Br)s2)cs1 488911844 CWDHTIVAEYSBIK-UHFFFAOYSA-N 442.320 4.076 5 20 IIBD O=C(NCc1ccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1)c1cccs1 490398756 JBEOUXXMTUUNTP-UHFFFAOYSA-N 435.505 4.391 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc3c2CN([C@@H](C)C(C)C)C3)cc1[N+](=O)[O-] 493900071 JOBXGYAMIOJSTE-SJORKVTESA-N 438.528 4.079 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1ccc(Oc2cccnc2)cc1 494250210 HEVQPIOUHBNHON-OAHLLOKOSA-N 439.493 4.358 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 498162989 SFOVDNOMNCYORW-UHFFFAOYSA-N 433.443 4.377 5 20 IIBD CC(C)OCCCn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O 501103259 GQTOCJALWVRBDQ-UHFFFAOYSA-N 441.509 4.095 5 20 IIBD CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 505419126 DKJVDPZTDKNFKM-GOSISDBHSA-N 432.318 4.266 5 20 IIBD C[C@H](c1ccc2ccccc2c1)N(C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C1CC1 509897002 WGDLLXQNQPAACP-OAHLLOKOSA-N 443.459 4.096 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)c1cccc(O)c1 513771275 JZBQRDQNTOZEDS-NSHDSACASA-N 440.237 4.047 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(=O)N1CCc2cc(F)ccc21 515282976 NCUPGLWJVBDJHX-UHFFFAOYSA-N 443.481 4.474 5 20 IIBD COc1ccc(OC)c(CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C(C)(C)C)c1 515307846 IJSNNBIIMLMGIL-UHFFFAOYSA-N 438.484 4.239 5 20 IIBD CCOc1cc(Br)c(CC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1OCC 515624816 RKBATSQXYAUWDE-UHFFFAOYSA-N 437.290 4.014 5 20 IIBD CCN([C@H](C)c1ccc(F)cc1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 517488630 JFJGYXDAOYHEKA-LLVKDONJSA-N 431.283 4.268 5 20 IIBD O=C(NCc1ccc(OCCN2CCCC2)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 518962359 OJVQGWRMBJDKNN-UHFFFAOYSA-N 425.510 4.214 5 20 IIBD CCOc1ccc(-c2csc(NC(=O)COc3ccc([N+](=O)[O-])c(OC)c3)n2)cc1 520589493 OLKGNCUKEKMKGI-UHFFFAOYSA-N 429.454 4.143 5 20 IIBD O=C1CCCCN1CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 522901953 QCDNVVNGVWYRAQ-UHFFFAOYSA-N 437.496 4.252 5 20 IIBD Cc1cccn2cc(COc3ccc(CNCCOc4ccc([N+](=O)[O-])cc4)cc3)nc12 524686859 NSGGJSDLLLUMFB-UHFFFAOYSA-N 432.480 4.299 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(C)c(OCC3CCOCC3)c2)cc([N+](=O)[O-])c1 525464563 GFUOZCHJVSWYNR-UHFFFAOYSA-N 442.468 4.138 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@@H](c2nc3ccccc3s2)C1 533012453 KTOGHNJFNDINAF-HUUCEWRRSA-N 440.525 4.420 5 20 IIBD Cc1cc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)n([C@@H]2CCN(Cc3ccccc3)C2)n1 535694768 IMMOKUXIMOXPLM-GOSISDBHSA-N 444.495 4.280 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1cccc2c1CN(c1nccs1)C2 536197825 OCINOPZJEMVSGW-ZDUSSCGKSA-N 439.497 4.019 5 20 IIBD COc1cc(CN2CCC[C@H]2[C@H](O)C(F)(F)F)ccc1OCc1ccc([N+](=O)[O-])cc1 537630844 FVNKUURTYAKEFP-PXNSSMCTSA-N 440.418 4.070 5 20 IIBD COc1cc(CN2CC[C@@H](CN3CCCC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 538718761 MKGCMQBRDKNSSE-NRFANRHFSA-N 425.529 4.100 5 20 IIBD CCS(=O)(=O)Nc1ccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1OC 538833602 MZAGPOWXXJEMDV-UHFFFAOYSA-N 448.526 4.101 5 20 IIBD O=C(c1cnoc1-c1ccc(F)cc1Cl)N1CCN(c2ccccc2[N+](=O)[O-])CC1 539931349 MVPLEMRNIDQJSA-UHFFFAOYSA-N 430.823 4.005 5 20 IIBD O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)Nc1cc(Cl)cc([N+](=O)[O-])c1O 540846345 PBWBDUSRZTWKKY-CYBMUJFWSA-N 428.253 4.049 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CCN(c2ccccn2)CC1 542510665 JMAKACWHJJJQKC-UHFFFAOYSA-N 426.542 4.235 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)NCc1cccc(COCc2ccccc2)c1 544150222 MFASLLBCIXIUNX-UHFFFAOYSA-N 435.480 4.320 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CCC[C@@H](Cn2ccnn2)C1 544554264 QMSXZOATTSGOGG-QGZVFWFLSA-N 429.546 4.021 5 20 IIBD CC(C)n1c([C@H]2CCCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)nc2ccccc21 544840099 NFLIYBDQIFYMMN-INIZCTEOSA-N 428.514 4.094 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)CCCc1nc(-c2ccc(OC)cc2)no1 545251549 CEBLAQFBMJITSK-UHFFFAOYSA-N 426.429 4.014 5 20 IIBD O=C(NC1CCC(c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)CC1)C1CCCC1 547264382 YFCCYZDFJYCUIM-UHFFFAOYSA-N 437.500 4.383 5 20 IIBD O=C(CCS(=O)(=O)[C@H](c1ccccc1)c1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] 549955193 NIJRXDSQTQIHQI-JOCHJYFZSA-N 442.468 4.267 5 20 IIBD CCOCCCn1c(-c2ccc3ccccc3n2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 555311681 BDPVXWFOLFFTHI-UHFFFAOYSA-N 446.511 4.465 5 20 IIBD C[C@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CCN(CC(F)(F)F)CC1 555511055 IBVYNWKILCXSQA-AWEZNQCLSA-N 426.439 4.045 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1cnc2c(F)ccc(F)c2c1)c1ccccc1[N+](=O)[O-] 558888652 DMQLPILSPISVGU-GOSISDBHSA-N 443.406 4.234 5 20 IIBD CC(C)(C(=O)N[C@@H]1CCN(c2ccccc2Br)C1)c1ccccc1[N+](=O)[O-] 559743571 QEOPVNJANIXIAB-CQSZACIVSA-N 432.318 4.030 5 20 IIBD O=C(NCC(F)(F)c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 561352791 FDLCCLOQDMFBES-UHFFFAOYSA-N 439.831 4.039 5 20 IIBD CC1CCN(Cc2ccccc2CN[C@@H](c2ccc([N+](=O)[O-])cc2)c2nccn2C)CC1 567243886 ACVRZJFNLIXAAU-DEOSSOPVSA-N 433.556 4.439 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc([C@H]3C[C@]34CCc3cc(Br)ccc34)n2)nc1 582028851 LHFPKONHXVUSSH-APWZRJJASA-N 427.258 4.098 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2CCCCN(Cc3ccccc3)C2)c1 589485021 PPRPSRBZMVIVBV-NRFANRHFSA-N 425.529 4.091 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CSc1nc(O)c2cnn(-c3cccc(Cl)c3)c2n1 591886692 VGMDDXQCZXTDSB-UHFFFAOYSA-N 443.872 4.384 5 20 IIBD COc1cc(I)c(Cl)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1C 603564902 NTORMQYNOKCBLB-UHFFFAOYSA-N 446.628 4.422 5 20 IIBD O=C(c1ccc(O)cc1)C1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 603829689 KDVOCMZZXWAIRY-UHFFFAOYSA-N 435.383 4.029 5 20 IIBD Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C 603982126 BCYYCPMABXLUAO-GJZGRUSLSA-N 445.541 4.131 5 20 IIBD O=[N+]([O-])c1cc2c(c(CN3CCc4[nH]c5c(Br)cccc5c4C3)c1)OCOC2 609197288 OOOOGXWFYMFNTA-UHFFFAOYSA-N 444.285 4.263 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(C(=O)N2CCCCC2)c(Cl)c1 609311850 VJVAOIZEYHXCHR-UHFFFAOYSA-N 430.892 4.233 5 20 IIBD O=C(N[C@H]1CCN(CC2CC2)C1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 609383363 MIKLRUNIUAHEEF-SFHVURJKSA-N 428.920 4.074 5 20 IIBD COC[C@@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 609840015 YJEJQDJQZOPQQB-QGZVFWFLSA-N 448.401 4.378 5 20 IIBD COc1cc(CN2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OC(F)F 610004472 LMNHOFADWXPFAN-AWEZNQCLSA-N 438.402 4.439 5 20 IIBD Cc1cc(N2CCSCC2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1Br 610042349 IPXIZSBNTVNXKV-UHFFFAOYSA-N 436.331 4.471 5 20 IIBD COC[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 610571094 RRUYOZYASOGPLQ-CQSZACIVSA-N 447.207 4.494 5 20 IIBD C[C@@H](OC(=O)c1cc(N)ccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 728333268 WSDLGJDWQUWAOX-MRVPVSSYSA-N 431.754 4.033 5 20 IIBD O=C(COc1c(Cl)cccc1Cl)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 729193003 OUKMJXBOJNJEKD-UHFFFAOYSA-N 440.283 4.135 5 20 IIBD O=[N+]([O-])c1ccc(NC(=S)Nc2ccccc2CS(=O)(=O)c2ccccc2)cc1 730957769 PTADMOXFUZMTHU-UHFFFAOYSA-N 427.507 4.378 5 20 IIBD O=C(COC(=O)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1)c1cccc([N+](=O)[O-])c1 731724779 PNTBKVNXRWULLT-OAQYLSRUSA-N 427.359 4.419 5 20 IIBD C[C@@H](OC(=O)c1ccccc1COc1cccc(C=O)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 731748117 DPGUOXCIGJARTJ-MRXNPFEDSA-N 448.431 4.170 5 20 IIBD C[C@H](NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(Cl)cc1 740422951 UKXIYILVMJBNCV-JTQLQIEISA-N 441.665 4.045 5 20 IIBD CSc1ccc(O[C@H](C)C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 740993007 PETQNZPTGLJACB-VXGBXAGGSA-N 438.889 4.308 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 743000429 OGWPRWLLHXKHGO-KRWDZBQOSA-N 439.449 4.092 5 20 IIBD CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 743782644 XSCSJXOZFFPPEQ-LJQANCHMSA-N 440.500 4.104 5 20 IIBD Cc1nn(C)cc1C(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 744284523 QRWHPJFNBLPESY-UHFFFAOYSA-N 449.250 4.415 5 20 IIBD C[C@@H](CC(=O)c1cccc(F)c1)C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 745399440 SSSRXXPHFKJMBW-NWDGAFQWSA-N 436.823 4.167 5 20 IIBD COc1ccc(NC(=O)COC(=O)/C=C(/C)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 745486572 JKEXMVXJLXEHPC-WQLSENKSSA-N 438.358 4.207 5 20 IIBD O=C(OC1CCN(c2nncc3ccccc23)CC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 747248881 KCRZPGINFPEKKP-UHFFFAOYSA-N 446.385 4.383 5 20 IIBD O=C(OCCn1cc([N+](=O)[O-])cn1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 748107358 BBYCBTXDNUDWFM-UHFFFAOYSA-N 432.776 4.002 5 20 IIBD Cc1cc(Cl)ccc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 748951954 SYEAWNMWXQMAKE-GFCCVEGCSA-N 435.820 4.266 5 20 IIBD CC[C@H](Oc1ccccc1Cl)C(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 749031723 PYBXCPZRDDSFBR-SFHVURJKSA-N 433.892 4.260 5 20 IIBD CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 750837481 ZFXCJEGUGBCQDS-UHFFFAOYSA-N 444.326 4.171 5 20 IIBD COCCOc1cccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)c1 750841806 PNNZOIBEQUAXIA-UHFFFAOYSA-N 429.654 4.288 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 750844052 TWIVTTJFQWPGBL-UHFFFAOYSA-N 428.626 4.191 5 20 IIBD Cc1nnc(Sc2ccc(NS(=O)(=O)c3cc(F)ccc3[N+](=O)[O-])c(C)c2)s1 751281861 HKXIYWDIPBYYLO-UHFFFAOYSA-N 440.503 4.154 5 20 IIBD Cc1sc2ncnc(SCC(=O)OCc3nc4cc([N+](=O)[O-])ccc4o3)c2c1C 751617227 LXRXCKBVZLABKV-UHFFFAOYSA-N 430.467 4.193 5 20 IIBD Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)OCc3nc4cc([N+](=O)[O-])ccc4o3)c12 751637746 NHVWETPMCNEMCR-UHFFFAOYSA-N 443.419 4.350 5 20 IIBD O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 751657912 SPQXYEHGFUTOCI-UHFFFAOYSA-N 426.366 4.125 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)C(=O)Nc1cccc(Cl)c1 751692323 PJALIZCKRIVLKK-MRVPVSSYSA-N 445.628 4.334 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC([C@H](O)c2ccc(F)cc2)CC1 752426249 OMJACDDKWCOYBZ-HXUWFJFHSA-N 438.908 4.452 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc(Cl)c(Br)c1 753426561 ZIOAENHOQFKAOS-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)Oc1ccccc1Cl 755011811 LBFGBYMOCOCQDM-SECBINFHSA-N 431.645 4.347 5 20 IIBD CSc1nc(C)c(CCC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c(C)n1 755370578 NSJNZFSJPULTJN-UHFFFAOYSA-N 425.308 4.057 5 20 IIBD CCOc1cc(COC(=O)c2ccc3c(C)nn(-c4ccccc4)c3n2)ccc1[N+](=O)[O-] 755568816 SLITXAPVIOJAEQ-UHFFFAOYSA-N 432.436 4.393 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 758796080 QMUAUCURNVKATO-CHWSQXEVSA-N 445.438 4.379 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@H](c2nc(Cc3ccc(Br)s3)no2)C1 761639479 TXMLCVXANNOOGM-ZDUSSCGKSA-N 435.259 4.258 5 20 IIBD O=C(O[C@@H]1CCO[C@H]([C@H]2CCOC2)C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 763109235 HDQLCSJISTYETE-CDXJDZJCSA-N 429.494 4.487 5 20 IIBD COC(=O)c1ccc(OC(=O)Cc2sc(C)nc2-c2ccc(C)cc2)cc1[N+](=O)[O-] 763695564 OQBXOJBMPVZDCV-UHFFFAOYSA-N 426.450 4.270 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1ccc(F)c(Cl)c1 763813040 ZFEMLNZCZQQZCB-UHFFFAOYSA-N 427.837 4.166 5 20 IIBD CCOC(=O)Nc1ccc2c(CN(Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc(=O)oc2c1 764492422 JRIOODLJWHKAMT-UHFFFAOYSA-N 437.452 4.434 5 20 IIBD Cc1cnc([C@@H](C)OC(=O)c2cc(C(=O)O[C@H](C)c3ncc(C)o3)cc([N+](=O)[O-])c2)o1 764580209 YFNJAJSRQHUILT-CHWSQXEVSA-N 429.385 4.024 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCc3cc(C(=O)O)ccc32)cc1 766845984 SZKYNIRNWQZHIK-UHFFFAOYSA-N 434.404 4.297 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)Oc2cccc3ccccc23)c([N+](=O)[O-])c1 769376408 BEZQTJCJXGFLNX-CABCVRRESA-N 438.436 4.094 5 20 IIBD Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-] 769879137 KUTQPMCDNNVHBL-UHFFFAOYSA-N 439.493 4.142 5 20 IIBD Cc1ccc(NC(=O)c2nnc(COC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)s2)cc1 769901232 VSXYCFZEQAGHBQ-UHFFFAOYSA-N 440.481 4.289 5 20 IIBD COc1ccc(NC(=O)c2ccc(NC(=O)c3cc(F)c([N+](=O)[O-])cc3F)cc2)cc1 770046387 SMJMDBQBBQINII-UHFFFAOYSA-N 427.363 4.386 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2C 776894563 HQTNSGSYKYEPOC-CQSZACIVSA-N 427.526 4.497 5 20 IIBD CC(=O)c1cccc(NC(=O)[C@H](OC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C(C)C)c1 778169223 IVECMUQJDFJOSI-GOSISDBHSA-N 434.395 4.096 5 20 IIBD CC1CCN(c2ccc(C(=O)O[C@H](C)C(=O)N(C)Cc3ccccc3)cc2[N+](=O)[O-])CC1 783277304 GFNFUDIWJHGJAT-GOSISDBHSA-N 439.512 4.035 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)OCc2ccc(Cl)nc2C(F)(F)F)cc1OC 787590957 QCHGFCBNUKLXIC-UHFFFAOYSA-N 434.754 4.426 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@H](O)c2cc(F)cc(Cl)c2)CC1 787819996 STBMHNLFKBLCOM-FQEVSTJZSA-N 435.883 4.087 5 20 IIBD COC(=O)c1sc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(C)c1Cl 788601853 SVHQIUUXOZXJCL-UHFFFAOYSA-N 446.934 4.004 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCC[C@H](O)c1ccc(Cl)c(Cl)c1 790964201 MJMAJHCSZSGELB-INIZCTEOSA-N 435.666 4.477 5 20 IIBD Cc1c(CNC(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)cccc1[N+](=O)[O-] 791019301 XOUJXHDAUYOLTD-OXQOHEQNSA-N 427.501 4.422 5 20 IIBD O=C(c1cc(Cl)cc(Cl)n1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791246162 TXYQKPXIBPPVQC-UHFFFAOYSA-N 431.073 4.258 5 20 IIBD O=C(COC(=O)c1ccc2cc(O)ccc2c1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 792721051 AZRCKMWBSWEFFJ-UHFFFAOYSA-N 434.326 4.268 5 20 IIBD C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1ccc(Br)cn1 794171876 NBRHLRIOLNODNV-ZETCQYMHSA-N 447.058 4.145 5 20 IIBD C[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1Br)[C@H]1OCCc2sccc21 796488826 YOXXDKKFZYJDEP-QLJPJBMISA-N 426.288 4.412 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)C(C)(C)C 798812725 RYWDCIPXDWWSHN-CQSZACIVSA-N 444.326 4.027 5 20 IIBD C[C@@H](OC(=O)CSc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 800696743 WQQXHQSGDVNRJV-SNVBAGLBSA-N 446.378 4.415 5 20 IIBD CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)Cc3cccc([N+](=O)[O-])c3)cccc21 805306905 HSNPCNIOMBXQOX-UHFFFAOYSA-N 425.485 4.141 5 20 IIBD COC1(CNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCC(c2ccccc2)CC1 807444780 NVQACLPIWQFYKU-UHFFFAOYSA-N 445.903 4.046 5 20 IIBD C[C@@H]1CC(=O)Oc2cc(OS(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)ccc21 809840003 LDJGQPCAQIWPKI-MRVPVSSYSA-N 432.237 4.082 5 20 IIBD CC(C)c1ccc2c(c1)[C@@H](NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)CC2 810389490 HEOSUIKLQKQIMQ-KRWDZBQOSA-N 446.301 4.223 5 20 IIBD COc1cc(C(=O)Oc2ccc3c(c2)CCCO3)c([N+](=O)[O-])cc1OCc1cscn1 810995071 SZVNVNPHOBHZDO-UHFFFAOYSA-N 442.449 4.183 5 20 IIBD COC(=O)c1ccccc1CCC(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811219004 PHQNCMSMVVJTHN-UHFFFAOYSA-N 426.450 4.181 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccccc1S(=O)(=O)C1CCCC1 813250276 DMOSFQKCZKWGBV-UHFFFAOYSA-N 440.880 4.285 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC12CCC2 813800598 VEXLEFUJKVBOAA-KRWDZBQOSA-N 446.548 4.451 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H]2CN(Cc3c(Br)cccc3[N+](=O)[O-])CC[C@@H]21 814177111 XWGZJADBMPLNFS-BBRMVZONSA-N 440.338 4.189 5 20 IIBD Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 828786730 LULCBZPPRKIVDF-UHFFFAOYSA-N 426.450 4.061 5 20 IIBD CSc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)cc1[N+](=O)[O-] 853691234 XLPLTFUJPOPUFS-CQSZACIVSA-N 429.498 4.101 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3cc([N+](=O)[O-])c(F)cc3F)CCCC2)c1 897587205 JYJJFSMUAMXQGA-UHFFFAOYSA-N 438.452 4.215 5 20 IIBD O=C(Nc1ccc(-n2cnc3ccccc32)nc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 914455769 YIGCHLDTFCUXFH-UHFFFAOYSA-N 442.479 4.184 5 20 IIBD C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 914497389 HHUYEAPNBJIIIV-AWEZNQCLSA-N 437.418 4.283 5 20 IIBD CCc1c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cnn1-c1cccc(Cl)c1 914673577 KVCJEUOCPOUOOI-UHFFFAOYSA-N 442.859 4.100 5 20 IIBD Cc1c(C(=O)NCc2ccccc2COCc2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 915299930 WBAGESXIAGPJEI-UHFFFAOYSA-N 435.436 4.458 5 20 IIBD CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 919185985 UGDVCUOPBLEXNE-UHFFFAOYSA-N 441.440 4.261 5 20 IIBD Cc1c(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 919225417 DYUIKHLMLJQDSG-ZDUSSCGKSA-N 429.429 4.293 5 20 IIBD C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-] 919509772 REBPBCYPZDVUJJ-SECBINFHSA-N 429.281 4.225 5 20 IIBD Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 920554207 KHSZWFYEOKRISE-MRXNPFEDSA-N 436.468 4.105 5 20 IIBD COc1c([N+](=O)[O-])cc(NCCCc2nc(C)cs2)c([N+](=O)[O-])c1Br 1251502115 LTKXWVGBBRGULR-UHFFFAOYSA-N 431.268 4.084 5 20 IIBD C[C@](O)(CSc1cccc(F)c1)C(=O)OCc1ccc([N+](=O)[O-])cc1Br 1257545102 LAVLUSDOOKZPCA-KRWDZBQOSA-N 444.278 4.083 5 20 IIBD COc1ccc([C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccc(OC)cc2OC)cc1 1318671347 ORGSOTJOAIXXPL-DEOSSOPVSA-N 436.464 4.069 5 20 IIBD COc1cc(C(=O)N2CCO[C@H](c3ccc(Cl)s3)C2)c([N+](=O)[O-])cc1OC(F)F 1318824092 JWHDFRXSNIHHED-ZDUSSCGKSA-N 448.831 4.133 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCCC2=O)c(C)c1 1320341298 RGPOZVTYLKHSCB-UHFFFAOYSA-N 429.498 4.021 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CC[C@H]4OCCC[C@H]4C3)n2CCc2ccccc2)c1 1321310892 WSXJHLAYLAYBSP-RBBKRZOGSA-N 433.512 4.101 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1SC 1326285520 DZKJNHDHYICOTH-UHFFFAOYSA-N 427.482 4.486 5 20 IIBD Cc1oncc1C(=O)NC1(c2ccc(NC(=O)c3cccc(F)c3[N+](=O)[O-])cc2)CCC1 1790697957 FEONDRLQTPBRFU-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc([N+](=O)[O-])o3)n[nH]2)CCCCC1 1814312915 TXAQCMOHNQROEP-OAHLLOKOSA-N 429.477 4.187 5 20 IIBD C[C@@H]1C[C@@]1(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])[nH]n1 1820772206 FNAYSLLVGSMKBV-RVJIZJDSSA-N 437.500 4.070 5 20 IIBD C/C=C/C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)[nH]n1 1821885465 AEBWCGBLQZDTQD-WUTVXBCWSA-N 431.880 4.162 5 20 IIBD Cc1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)CCC(C)C)n[nH]2)cc1[N+](=O)[O-] 1821933111 MVRZADRJAUWVRS-IBGZPJMESA-N 441.532 4.297 5 20 IIBD CC(C)/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1832510692 NUSAJTUJSWCQFG-NMXNWIABSA-N 441.572 4.359 5 20 IIBD C[C@H](C(=O)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)C1)c1ccc(Cl)cc1 1845313713 JWBMQZRKEXPZLQ-AWEZNQCLSA-N 445.878 4.008 5 20 IIBD CCn1c(SCC(=O)Nc2c(C)cccc2[N+](=O)[O-])nc2sc(C)c(C)c2c1=O 9357456 OBPUBPUJAKMTCL-UHFFFAOYSA-N 432.527 4.042 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCn1c(-c2cccs2)n[nH]c1=S 10902723 SQKNHSGEMPXTJO-UHFFFAOYSA-N 437.934 4.279 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(Sc3nccn3C)cc2)cc1[N+](=O)[O-] 12647422 LVJBBVOYQBWWRA-UHFFFAOYSA-N 438.918 4.242 5 20 IIBD CC1CCN(Cc2csc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)n2)CC1 14526688 XBJFCTKBPUOVTD-UHFFFAOYSA-N 443.573 4.138 5 20 IIBD C[C@H](Sc1nnc(-c2ccccc2Cl)n1N)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 17653529 SWVVESKUCAHBQU-JTQLQIEISA-N 443.876 4.124 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1ccc(CO)cc1 23646472 WDFNXLGNPFSVRM-HXUWFJFHSA-N 440.839 4.277 5 20 IIBD COc1ccc2cc(CN(C)C(=O)[C@H](C)OC(=O)c3c(C)cccc3[N+](=O)[O-])ccc2c1 28425218 GVHDOFMRMKUKPV-INIZCTEOSA-N 436.464 4.269 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1n[nH]c(-c2ccccc2Br)n1 28900271 YEWVRTXDJHRQQN-SNVBAGLBSA-N 448.302 4.262 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)Nc2ccc3c(c2)C(=O)NC3)cc1[N+](=O)[O-] 58747481 AHAVBZRZMUUJQK-UHFFFAOYSA-N 447.472 4.043 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2[nH]c3c(Br)cccc3c2C1 60014919 BMBJRJRUACYLCC-UHFFFAOYSA-N 430.258 4.046 5 20 IIBD CC[C@@H](C)NC(=O)c1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 65127472 WIBJVAYWHMHZRO-QGZVFWFLSA-N 427.504 4.322 5 20 IIBD CN(Cc1cc(Br)cs1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 156628818 QXRPRKHZQURNAY-UHFFFAOYSA-N 434.109 4.454 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@H]3CCOC(C)(C)C3)c([N+](=O)[O-])c2)c(C)c1 301827975 PZUDGVQYOLEMOD-INIZCTEOSA-N 433.530 4.382 5 20 IIBD Cc1cc([N+](=O)[O-])cnc1Sc1nnc(CSc2nc3ccccc3s2)n1C 301922246 GINKTQXKPHJREE-UHFFFAOYSA-N 430.540 4.480 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC(c3ccccc3Br)CC2)s1 302526736 DCMUQYHTZXVCQL-UHFFFAOYSA-N 445.360 4.206 5 20 IIBD O=C(NCCCc1nc(-c2ccncc2)cs1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 303225479 WCBURVVNBPEXBW-UHFFFAOYSA-N 437.525 4.076 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 409670342 WOTVISAVTDWILM-UHFFFAOYSA-N 440.481 4.320 5 20 IIBD CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 409825993 YKSGXWSXZMZLQL-GJZGRUSLSA-N 436.555 4.137 5 20 IIBD C[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCCN(C2CCC2)C1 426189110 YEDTWCLLAMRAQB-ZFWWWQNUSA-N 428.455 4.066 5 20 IIBD O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 426927585 VPYHQMMSUDGCRX-GOSISDBHSA-N 447.495 4.189 5 20 IIBD CC(C)c1[nH]nc(C(=O)Nc2ccccc2CN(C)C(=O)c2cccs2)c1[N+](=O)[O-] 433755957 CLYZNTQRLMKALL-UHFFFAOYSA-N 427.486 4.027 5 20 IIBD CS(=O)(=O)c1cc(C(=O)N[C@@H](c2cccc(Cl)c2)C2CCCC2)cc([N+](=O)[O-])c1 434314590 GTDSWWOOFIPZLB-LJQANCHMSA-N 436.917 4.313 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2)c1cccc([N+](=O)[O-])c1 434941372 CNMDXUGBHGLBOP-TZMCWYRMSA-N 430.530 4.018 5 20 IIBD COc1cc(NC(C)=O)ccc1NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 435439878 XQDPSZUURVRHRN-HUUCEWRRSA-N 440.500 4.296 5 20 IIBD Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 437109727 YGZCSTLSPVRXQC-INIZCTEOSA-N 427.526 4.155 5 20 IIBD O=C(NC1CC1)c1cc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)ccc1Cl 437400472 LVIXOZLCRURSRV-UHFFFAOYSA-N 428.876 4.337 5 20 IIBD COc1ccc(-c2nc(NC(=O)CN3CCc4ccc([N+](=O)[O-])cc4C3)sc2C)cc1 438531360 UICXVUCAFBNJSV-UHFFFAOYSA-N 438.509 4.032 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccc(Br)s1 443495952 CXAQOAJGTDHVRC-LLVKDONJSA-N 440.319 4.064 5 20 IIBD CC(C)NC(=O)c1ccc(N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c([N+](=O)[O-])c1 443892684 ZAZKUWIFYYXVOM-HNNXBMFYSA-N 426.448 4.397 5 20 IIBD Cn1cnc(-c2cccc(NC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)c2)n1 444299753 CYXLYAPUSPDCMF-UHFFFAOYSA-N 431.402 4.007 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3ccc(COc4ccccc4OC)o3)n2)c1 445583039 LQXQPEVHMYPVHU-UHFFFAOYSA-N 437.408 4.425 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC(COc2ccccc2)CC1 445987219 CDOFBKLDBXCBTK-UHFFFAOYSA-N 433.302 4.217 5 20 IIBD COc1ccc(CN(C(=O)CCc2cccc([N+](=O)[O-])c2)c2nccs2)c(OC)c1 446110134 XYUQKFBIYVNJAR-UHFFFAOYSA-N 427.482 4.235 5 20 IIBD CS(=O)(=O)c1cc(C(=O)Nc2cccnc2-c2ccc(Cl)s2)cc([N+](=O)[O-])c1 446596980 QVGMMEDUGJNZOX-UHFFFAOYSA-N 437.886 4.028 5 20 IIBD Cc1ccc(NC(=O)C(=O)N(Cc2ccc(Br)cc2)C(C)C)cc1[N+](=O)[O-] 446902963 SYKJBWFVINRQQY-UHFFFAOYSA-N 434.290 4.041 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(CC(F)(F)F)cc2)c(Br)c1 446990474 KLNPLWSFUFMPKD-UHFFFAOYSA-N 439.209 4.263 5 20 IIBD Cc1c(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)nnn1-c1ccccc1Cl 460347277 JBSBYOPWSUMTDE-LJQANCHMSA-N 429.889 4.025 5 20 IIBD CCN(Cc1nc(O)c2ccccc2n1)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 462482406 GGBUFPHFRRFGRV-UHFFFAOYSA-N 431.452 4.244 5 20 IIBD Cc1cc(Br)c(NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 463368119 NOYLLZRZKWRTGO-JTQLQIEISA-N 440.681 4.076 5 20 IIBD CC(C)Cc1ccc(C(=O)C2CCN(C(=O)CN(C)c3ccccc3[N+](=O)[O-])CC2)cc1 463383408 ZMKRTMOMNOSZGZ-UHFFFAOYSA-N 437.540 4.351 5 20 IIBD CCCN(CCc1cccs1)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 464194621 SXXDSQVOAPPTJD-FQEVSTJZSA-N 429.542 4.051 5 20 IIBD CCN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC1CCN(c2ccccn2)CC1 464810086 OLDTVEVXTTZGJH-UHFFFAOYSA-N 435.528 4.426 5 20 IIBD O=C(NCc1cccc(Br)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465794103 YDSCHRPQJGPXBO-UHFFFAOYSA-N 434.290 4.110 5 20 IIBD Cc1ncsc1-c1nc2ccccc2n1CC(=O)NCc1ccc([N+](=O)[O-])cc1Cl 466284202 ZFLDBNAODZUDMN-UHFFFAOYSA-N 441.900 4.346 5 20 IIBD CCOc1cccc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1OC(F)F 467219880 VKNPPOZCCWAPMV-UHFFFAOYSA-N 429.807 4.248 5 20 IIBD NC(=O)C[C@@H]1CCCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 467754681 PHULEBQICDEWJU-ZDUSSCGKSA-N 433.917 4.127 5 20 IIBD C[C@](O)(CNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])C(F)(F)F 467987874 HIBUIRACXINKNV-INIZCTEOSA-N 434.823 4.443 5 20 IIBD CC(C)OCCN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 474892687 UOYZISUFRXPBJF-UHFFFAOYSA-N 427.501 4.006 5 20 IIBD CCN(CC)C(=O)Nc1ccc([C@H](C)NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cc1 475009833 MBCDYRRPCAVIDW-INIZCTEOSA-N 448.545 4.125 5 20 IIBD CCC[C@@H](O)CNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 475166631 XFXFISCCDAQWOT-FXFXYLOPSA-N 425.510 4.412 5 20 IIBD CCc1nc(CN2CCC(CNC(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)CC2)cs1 475561203 ASBLVCJQJKAORG-UHFFFAOYSA-N 431.562 4.264 5 20 IIBD COCCCn1c(SCc2ccc([N+](=O)[O-])cc2F)nc2cc(Cl)ccc2c1=O 476505925 FXXIKBKGIUIKFR-UHFFFAOYSA-N 437.880 4.426 5 20 IIBD O=C(N[C@@H](CO)Cc1ccncc1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 476987073 QLNCKLUJYMONSW-MRXNPFEDSA-N 443.912 4.128 5 20 IIBD COC1(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)CCCCC1 477536161 HKAZROBNAUSFDG-UHFFFAOYSA-N 449.554 4.212 5 20 IIBD CC(=O)Nc1cccc(CNc2ccc([N+](=O)[O-])c(NCc3cccc(NC(C)=O)c3)n2)c1 477824780 MQSIZRKBLFOQRZ-UHFFFAOYSA-N 448.483 4.131 5 20 IIBD CN(Cc1ccc(F)cc1Br)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl 479757898 SWZFUZQNDJOYIN-UHFFFAOYSA-N 430.661 4.491 5 20 IIBD Cc1c(CNC(=O)N(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)cccc1[N+](=O)[O-] 480060947 SYOTWMMOMPYCGP-UHFFFAOYSA-N 425.464 4.207 5 20 IIBD Cc1ccc([C@@H](C)NCc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)cc1[N+](=O)[O-] 481301379 YQHSGRWGOBRCIW-SJLPKXTDSA-N 431.558 4.175 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1c[nH]c2ccc(Cl)cc12 485529034 DXCQKIPHYYEHSA-UHFFFAOYSA-N 433.917 4.441 5 20 IIBD Cc1cc(-c2csc(NC(=O)[C@@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)n2)c(F)cc1F 485814596 BCBYYTRLDUARSM-LLVKDONJSA-N 446.435 4.062 5 20 IIBD COCCOc1ccc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(Cl)c1 486701782 MLBBEYXFHSNUCZ-UHFFFAOYSA-N 432.782 4.222 5 20 IIBD O=C(Nc1cccc(COCCOc2ccccc2)c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 486840910 DIKQYPKGVPSUQU-UHFFFAOYSA-N 436.420 4.171 5 20 IIBD O=C(NCCC(=O)N1CCCCCC1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 487327115 ZPLATCLPZFTUDI-UHFFFAOYSA-N 427.526 4.269 5 20 IIBD Cc1cccc(Oc2ncccc2NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1C 488400626 SONANFGTPMMENT-UHFFFAOYSA-N 436.472 4.464 5 20 IIBD CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 489596037 JQVQHINVVQZBTF-UHFFFAOYSA-N 444.831 4.079 5 20 IIBD COCCOc1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1Cl 490744478 HYMGCAPMVIGVJB-UHFFFAOYSA-N 448.781 4.467 5 20 IIBD CC[C@H](NC(=O)C(=O)Nc1ccccc1OCCc1ccccc1)c1cccc([N+](=O)[O-])c1 494017496 MXEZRWLAYMXNAX-NRFANRHFSA-N 447.491 4.422 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCCO1)c1cc2c(c([N+](=O)[O-])c1)OCO2 494215243 HDQQLKCVKUKOFZ-CQSZACIVSA-N 434.832 4.177 5 20 IIBD CCOc1cc(NC(=O)N[C@@H](C)[C@@H]2OCCc3sccc32)c([N+](=O)[O-])cc1OCC 494968192 BOWLPLIHMMYDPD-BUXKBTBVSA-N 435.502 4.278 5 20 IIBD Cc1cc(C)n(-c2ccc(C(=O)N3CCS[C@@H]3c3ccc([N+](=O)[O-])cc3)cc2F)n1 498151878 FHWGKDWUEWMPFD-OAQYLSRUSA-N 426.473 4.424 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cccc(C(=O)N2CCc3ccccc32)c1 498690479 RECZRCNAEPTBFY-UHFFFAOYSA-N 430.464 4.157 5 20 IIBD Cc1cc(C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)c(C)o1 500715050 URQDIHXLPNWQBZ-UHFFFAOYSA-N 425.510 4.491 5 20 IIBD COc1cc(CN2CCN(c3ccc(O)cc3)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 505319025 FNHUIRLALXPJBV-UHFFFAOYSA-N 449.507 4.210 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CSc1nnc(N2CCCC2)n1-c1ccc(C)cc1 505907342 MBGGUHONYLGSKK-UHFFFAOYSA-N 425.514 4.385 5 20 IIBD COCc1ccc(OC)c(S(=O)(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1 506664425 WHFNOHOPUVTESQ-UHFFFAOYSA-N 444.465 4.343 5 20 IIBD Cc1cc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)nc(-c2ccc(Cl)cc2)n1 508155329 VKHWTUSPLWEJMK-UHFFFAOYSA-N 440.843 4.427 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2nc3ccc(Cl)cn3n2)cc1 508332299 PNQBYFHOTPRYQM-UHFFFAOYSA-N 439.815 4.344 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 509781712 GXGWXJBXSMPCBO-ZDUSSCGKSA-N 431.876 4.327 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(F)c(Br)cc2F)cc1OC 510121385 WVHLCYQMSHBCCC-UHFFFAOYSA-N 431.189 4.295 5 20 IIBD COc1cc(C(=O)Nc2nnc(C(C)(C)C)s2)c([N+](=O)[O-])cc1OCc1cscn1 510136605 XCDILWIQCQWRDN-UHFFFAOYSA-N 449.514 4.040 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccnc(Oc3ccccc3)c2)ccc1[N+](=O)[O-] 511339647 CZWWOTHGEYHCEF-OAQYLSRUSA-N 446.463 4.334 5 20 IIBD COc1ccccc1-c1ccc([C@H](C)NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)cc1 512626349 TXTZCJIHDDVVBC-KRWDZBQOSA-N 447.491 4.072 5 20 IIBD COc1ccc(OCCSCc2ccc(S(=O)(=O)C(C)C)cc2)c([N+](=O)[O-])c1 513453296 UAMDTBLEVFPHLY-UHFFFAOYSA-N 425.528 4.098 5 20 IIBD COc1cc(C)c(Br)cc1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 513638019 OIKKDRFWACHXHI-UHFFFAOYSA-N 449.301 4.358 5 20 IIBD O=C(Nc1ccc2c(c1)CCC2)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 515107192 JTJLPKVXCXWINT-UHFFFAOYSA-N 434.418 4.456 5 20 IIBD C[C@@H](c1ccccc1Cl)N(C)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 518200213 MXBJQBPPSKNTRZ-JTQLQIEISA-N 433.711 4.392 5 20 IIBD COc1ccccc1[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 518643603 NDMARVAHCNULQR-HSZRJFAPSA-N 428.448 4.309 5 20 IIBD COc1ccc(CNC(=O)Nc2ccc(Sc3ncccn3)cc2C)cc1[N+](=O)[O-] 520572158 MYQCCINGTUHHRI-UHFFFAOYSA-N 425.470 4.175 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)c1 520731824 YMFSEEXAMFKHIU-KRWDZBQOSA-N 429.231 4.263 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3nc(-c4cccs4)no3)cc2[N+](=O)[O-])C1 521634978 HRZJKJRSOAQFOU-ZIAGYGMSSA-N 441.513 4.119 5 20 IIBD Cc1nc(-c2ccc(NC(=O)C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)cc2)cs1 524809518 PCWOIWVPCBJZNO-UHFFFAOYSA-N 438.509 4.104 5 20 IIBD Cc1ccc([C@H](C)N[C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)cc1[N+](=O)[O-] 530727158 DGBRCCCVOJLMJI-LSDHHAIUSA-N 434.334 4.363 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@@H](c1ccncc1)c1ccc(Cl)cc1 531381057 SQYIKRAADOEAHM-HXUWFJFHSA-N 431.901 4.362 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)nc(SCC1(CO)COC1)n2-c1cccc(C(F)(F)F)c1 531792585 BJUXPNTVMMBRIE-UHFFFAOYSA-N 439.415 4.054 5 20 IIBD O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O 534010757 ZBZOPBAIVRKJJF-UHFFFAOYSA-N 441.806 4.166 5 20 IIBD Cc1cc(N2CCCC2)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 534173898 VEDRUHVEHJGIEN-UHFFFAOYSA-N 440.319 4.067 5 20 IIBD O=C(CSc1nnc(-c2ccc3ccccc3c2)o1)NCCc1cccc([N+](=O)[O-])c1 534731594 RSRIZEJTPABEIQ-UHFFFAOYSA-N 434.477 4.249 5 20 IIBD CC(C)c1nccn1CC(=O)Nc1c(Br)cc([N+](=O)[O-])cc1Br 534803751 KDPIXSRXKAMHKH-UHFFFAOYSA-N 446.099 4.078 5 20 IIBD O=C(NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 535459203 JIARTOIQIUGYPP-IBGZPJMESA-N 445.475 4.166 5 20 IIBD CNC(=O)c1cc(Oc2cc(C)ccc2NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)ccn1 535706107 ZDWUNUGNFIYKEH-UHFFFAOYSA-N 445.435 4.184 5 20 IIBD C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC1CCN(c2nc3ccccc3s2)CC1 539065294 MAGCTXNFNCJEJT-HNNXBMFYSA-N 439.541 4.180 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1 539448428 URBAUMYKJXQIAF-UHFFFAOYSA-N 443.463 4.171 5 20 IIBD COc1ccc(Br)c(CN(C)C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])c1 539499181 CBTCKOUECMGISR-UHFFFAOYSA-N 437.290 4.102 5 20 IIBD O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N(CCCO)Cc1cccc(Cl)c1 540587284 GFEOTLHTLQHOER-UHFFFAOYSA-N 425.872 4.335 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)cc1OC 541056533 JXGBJHAFKIYBPO-ABSDTBQOSA-N 445.560 4.004 5 20 IIBD CCc1ccc([C@@H](NCCNc2nccc(C(F)(F)F)n2)c2ccc([N+](=O)[O-])cc2)o1 542475629 CAZVKKVLUPFFHR-SFHVURJKSA-N 435.406 4.350 5 20 IIBD CN(c1ccc(Oc2ncnc3cccc([N+](=O)[O-])c23)cc1)S(=O)(=O)c1cccs1 542519603 VGLOGICONDHAAI-UHFFFAOYSA-N 442.478 4.217 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1 542748069 YCLVXFFXAMVZGK-GFCCVEGCSA-N 449.476 4.255 5 20 IIBD CC(C)NC(=O)Nc1ccc(-c2noc(-c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)n2)cc1 544900202 MYFZHPOHZXXOBC-UHFFFAOYSA-N 433.428 4.027 5 20 IIBD O=C(N[C@@H](c1cc(F)cc(Br)c1)C1CC1)c1cc2c(cc1[N+](=O)[O-])OCO2 547883359 YUCHWBBPCBCBMF-QGZVFWFLSA-N 437.221 4.106 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@H]1CCN(C(=O)Nc2ccccc2)C1 548965531 IDBGBVJYAOXXQQ-AWEZNQCLSA-N 437.378 4.042 5 20 IIBD CS(=O)(=O)c1cc(CN[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc(C(F)(F)F)c1 551779447 XTXCWGSPIRNISS-SFHVURJKSA-N 442.459 4.128 5 20 IIBD CC[C@H](C)n1nc(C(=O)N(CCOC)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1C 554460204 FVUTYDMJLCTVLP-AWEZNQCLSA-N 443.529 4.487 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 557743287 DXARECIRAASMQW-IBGZPJMESA-N 442.821 4.328 5 20 IIBD COc1ccc(CNC(=O)NC[C@H](OCC2CC2)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 561481891 ZBMPUVUJXAABIQ-FQEVSTJZSA-N 433.892 4.224 5 20 IIBD CCN(CC)[C@@H](c1cccc(C(F)(F)F)c1)c1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 568813670 WNDGBQKFZDNSCC-AWEZNQCLSA-N 438.410 4.137 5 20 IIBD COc1ccc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(Br)c1 582336341 ZLXGVIZJCNVBPB-UHFFFAOYSA-N 433.180 4.315 5 20 IIBD CCCOc1cc(NC(=O)N[C@@H]2CC[C@](O)(C(F)(F)F)C2)c([N+](=O)[O-])cc1OCCC 590104385 QSFLWUZVCPYRCX-KZULUSFZSA-N 449.426 4.140 5 20 IIBD COc1ccc(Cc2nnc(S[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)o2)cc1 596662823 ZZGKYNIWHZVQBT-ZDUSSCGKSA-N 428.470 4.005 5 20 IIBD COc1ccc(CSCC(=O)Nc2nc3c(OC)cc(F)cc3s2)cc1[N+](=O)[O-] 609141834 PAMOLLMIVOSNOW-UHFFFAOYSA-N 437.474 4.233 5 20 IIBD O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)C1(c2cccc(Br)c2)CC1 609202062 GWNXDTKHGZZJOO-UHFFFAOYSA-N 427.258 4.418 5 20 IIBD CCN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@H](C)c1cccc(C(F)(F)F)c1 609442652 QUNIFOUMANBGIX-CYBMUJFWSA-N 433.390 4.418 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N[C@@H](CCN(C)C)C(C)(C)C)cc1[N+](=O)[O-])c1ccccn1 609698611 GQHCIIVSILQQGU-IERDGZPVSA-N 427.549 4.259 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 609783555 PKXCDQHWBKFUIE-UHFFFAOYSA-N 441.837 4.154 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NC[C@@H]3CCCO[C@H]3C(C)(C)C)cc2)c(C)c1[N+](=O)[O-] 609819887 FVFGUTDMDOZGDU-PZJWPPBQSA-N 428.533 4.028 5 20 IIBD O=C(Nc1cccc(Cl)c1SCC(F)F)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 609908445 ACYSJVPILDIPCE-UHFFFAOYSA-N 439.831 4.438 5 20 IIBD CNS(=O)(=O)c1ccc(N[C@@H](Cc2ccccc2)c2sccc2C)c([N+](=O)[O-])c1 609914811 ZRZDAQVCNCFKFN-SFHVURJKSA-N 431.539 4.269 5 20 IIBD CCCC[C@H](NC(=O)c1cc(C)ccc1[N+](=O)[O-])C(=O)Nc1cccc(N2CCCC2)c1 610226611 RUIQGQSADBIJGK-NRFANRHFSA-N 438.528 4.431 5 20 IIBD CNS(=O)(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)c1C 611207415 ZHRBCPVHGXNTLX-UHFFFAOYSA-N 449.554 4.098 5 20 IIBD CC(C)(C)NC(=O)N1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC1 611465027 OFBBOPRQIAGCQT-UHFFFAOYSA-N 448.589 4.332 5 20 IIBD COc1ccc(-c2ccc(C)c(NC(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)c2)cn1 619806189 QMDBHDFDGREELM-UHFFFAOYSA-N 436.472 4.039 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(OC(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)cc2)cc1 726960257 GNVZZSDUKOMZTJ-UHFFFAOYSA-N 430.420 4.111 5 20 IIBD CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2[N+](=O)[O-])NC(=O)N1CCc1cccs1 731852091 KWJSORWIKABPSI-LJQANCHMSA-N 429.498 4.191 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1ccc(Cl)c([N+](=O)[O-])c1 733387583 BUFUPVFZCICLEW-OAHLLOKOSA-N 428.750 4.229 5 20 IIBD COc1cc(F)c([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1OC 733940105 XKZZGHASWGFRCL-VIFPVBQESA-N 427.226 4.005 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)CSc1nnc(C)n1Cc1ccccc1 735791831 YRGKRSAQTIJUAQ-UHFFFAOYSA-N 432.889 4.203 5 20 IIBD CC[C@H](CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)Cc1cccc(Br)c1 736051501 IGXSFUGTEBXDBB-AWEZNQCLSA-N 445.317 4.092 5 20 IIBD COc1cc(N2CCC(OC(=O)c3ccccc3OCC3CC3)CC2)ccc1[N+](=O)[O-] 739368640 CTUBAAZAPOTSLH-UHFFFAOYSA-N 426.469 4.218 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Br)c1csc(Nc2ccccn2)n1 740582364 YWCNVKVMKQKEPJ-UHFFFAOYSA-N 435.259 4.309 5 20 IIBD CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 744381677 XYSNEKNRLJUXAB-UHFFFAOYSA-N 447.333 4.131 5 20 IIBD CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 744383120 DXFPDLJTLPNJBN-QGZVFWFLSA-N 446.345 4.342 5 20 IIBD CCc1noc([C@@H](C)OC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n1 744591185 QDTMWHBMKVAMBR-OAHLLOKOSA-N 447.451 4.240 5 20 IIBD CCN(CC1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1)C(=O)OC(C)(C)C 744707782 AQFBODULUGFURH-UHFFFAOYSA-N 433.549 4.368 5 20 IIBD CCOc1ccc([C@@H]2CCCN2c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)cc1 746990496 YFEXTKIWMOEGKV-FQEVSTJZSA-N 445.541 4.120 5 20 IIBD CC[C@@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)c1ccc(Cl)cc1 748950186 INMWHBVWZSDAMP-MRXNPFEDSA-N 449.847 4.198 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)O[C@@H](c1ccccc1)c1nc(-c2ccccc2)no1 749053740 KMBZBZHFAHRABP-NRFANRHFSA-N 431.404 4.356 5 20 IIBD C[C@@H](OC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1[N+](=O)[O-] 749055749 MRJCOFITVMYGFJ-QGZVFWFLSA-N 446.525 4.006 5 20 IIBD COc1cccc(C(OC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c2cccc(OC)c2)c1 749068315 XZACSDHEUCZROZ-UHFFFAOYSA-N 447.447 4.295 5 20 IIBD CC[C@H](C(=O)N1CCC(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1)c1ccccc1 749229352 UMBKWFMPSNVUJV-SFHVURJKSA-N 429.904 4.163 5 20 IIBD Cc1sc(NC(=O)COC(=O)c2cc([N+](=O)[O-])c(Br)cc2F)c(C)c1C 751691623 LAAXZZFUUHXSAZ-UHFFFAOYSA-N 445.266 4.279 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)C(=O)Nc1ccc(Cl)cc1 751692191 MOYSVWSVLDPSHD-MRVPVSSYSA-N 445.628 4.334 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2nccnc2Sc2ccccc2)cccc1[N+](=O)[O-] 751849184 AGNRHLAOMBSMLQ-CQSZACIVSA-N 438.465 4.028 5 20 IIBD Cc1c(C(=O)OC[C@@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])cccc1-c1ccccn1 755076006 RUKXZSVQOOMITB-SFHVURJKSA-N 445.475 4.427 5 20 IIBD COc1ccc(Br)cc1CNC(=O)c1cccc([N+](=O)[O-])c1Br 758175191 QDMMOALXDYWUIP-UHFFFAOYSA-N 444.079 4.058 5 20 IIBD O=C(NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1(c2c(Cl)cccc2Cl)CC1 759535162 SIHLQVOBPPXLHO-UHFFFAOYSA-N 449.699 4.092 5 20 IIBD CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 762022018 CFZKVGBPVAYZNP-NSHDSACASA-N 445.419 4.062 5 20 IIBD Cc1ccc(C(=O)N2CCC[C@@H](COC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)C2)o1 763022237 VDZOUENDOUWBLC-OAHLLOKOSA-N 432.448 4.009 5 20 IIBD CCOC(=O)Nc1ccc(Br)cc1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] 765351839 OAQROZCVCLEHBN-UHFFFAOYSA-N 440.254 4.025 5 20 IIBD COc1ccccc1[C@H](OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 766517733 OTECIIWFMIRRGS-HSZRJFAPSA-N 434.448 4.056 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 769423753 GVOXOQYFHUISLW-UONOGXRCSA-N 429.464 4.321 5 20 IIBD O=C(COC(=O)c1ccc(Br)c(Cl)c1F)Nc1ccc(F)c([N+](=O)[O-])c1 769527272 WABCMFNSVYZWPU-UHFFFAOYSA-N 449.591 4.084 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2nnc(SCc3cccs3)s2)ccc1Cl 769847776 YOVRMDPBJWWWSG-UHFFFAOYSA-N 448.960 4.254 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CC=C(c2ccc3c(c2)OCCO3)CC1 770778923 ZOGHHXGXAOKURE-UHFFFAOYSA-N 429.860 4.018 5 20 IIBD CCC(CC)n1ccc(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)n1 770863305 NRYIYLWUGJUBHA-IBGZPJMESA-N 442.516 4.394 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1nn(-c3ccc(F)cc3)cc1Br)CC2 773993324 PEVMSBIQKACKFP-UHFFFAOYSA-N 445.248 4.193 5 20 IIBD CC(C)[C@@H](O)C1(CNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 775899606 AXIIDXCFJZFDCJ-LJQANCHMSA-N 445.903 4.027 5 20 IIBD O=C(O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1ccc(OC[C@H]2CCCO2)cc1 776136526 KHDYMVJLHHBDGZ-NFBKMPQASA-N 434.448 4.494 5 20 IIBD CSc1cccc(C(=O)OCC(=O)N2CC[C@@H](C)Sc3ccccc32)c1[N+](=O)[O-] 777073502 ICZANQIGJQEDDC-CYBMUJFWSA-N 432.523 4.391 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1 777661667 UTEKPQCYMNRDOW-ZDUSSCGKSA-N 444.868 4.136 5 20 IIBD O=C(c1cc([N+](=O)[O-])c2nsnc2c1)N1CCC[C@@H](c2nc3ccccc3s2)C1 778219251 AITYIWXVEKKAQF-LLVKDONJSA-N 425.495 4.229 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)c1csc(-c2ccc(F)c(F)c2)n1 778790938 JFBFSSBLZNPVLT-OAHLLOKOSA-N 431.420 4.432 5 20 IIBD CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] 782827384 HSAIRFHUIAMKOF-UHFFFAOYSA-N 435.427 4.139 5 20 IIBD CCCC[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br)C1CCC1 784746261 NCLMLZDNERNXSQ-CQSZACIVSA-N 426.311 4.079 5 20 IIBD O=C(COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Cc1ccccc1Br 785348899 QFTIWVKNQIDOJC-UHFFFAOYSA-N 446.175 4.345 5 20 IIBD COc1cccc(CC(=O)N2CCc3ccc(N[C@@H](C)c4ccc(N)c([N+](=O)[O-])c4)cc32)c1 788738424 VHYQHJUYPNTFIY-INIZCTEOSA-N 446.507 4.491 5 20 IIBD Cc1ccc(CN(C)c2ccc([N+](=O)[O-])c(N(C)Cc3ccc(C)cn3)c2[N+](=O)[O-])nc1 788864018 RCWREFKVPLREKI-UHFFFAOYSA-N 436.472 4.183 5 20 IIBD CCCCS(=O)(=O)Nc1ccc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])cc1 790554804 LCVNOPBWDIDSFG-UHFFFAOYSA-N 443.884 4.110 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)c2nc(Br)ccc2Br)cc1[N+](=O)[O-] 790735864 KXPYMNQVRWJAMT-SECBINFHSA-N 443.095 4.314 5 20 IIBD Cn1cc(CCC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c2ccccc21 791174117 VQYMBMNQUWQBLJ-UHFFFAOYSA-N 442.313 4.367 5 20 IIBD Cc1c([C@@H](C)NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)oc2ccccc12 792627680 CCTOBNOQLVLDHV-ZIAGYGMSSA-N 425.416 4.019 5 20 IIBD Cc1nn(CN2C[C@H](c3cccc(C(F)(F)F)c3)O[C@H](C)C2)c2ncc([N+](=O)[O-])cc12 793709166 ZXBSJDKWBUEEHF-KZULUSFZSA-N 435.406 4.086 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 798057452 NKWYILQSDCGXOG-YEORSEQZSA-N 441.793 4.268 5 20 IIBD Cc1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc([N+](=O)[O-])ccc2N)c(Br)c1 799025056 JAZFREIBNVYVKY-MRXNPFEDSA-N 448.317 4.069 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cccc(COCCOc2ccccc2)c1 801824976 KWYQKZCQNJJDHJ-UHFFFAOYSA-N 425.416 4.164 5 20 IIBD C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 807989194 YQEKTOLFDLEXKS-MDRZDLKXSA-N 443.313 4.288 5 20 IIBD COc1ccc(C(=O)O[C@H](C)c2ccc(S[C@H]3CCCCNC3=O)cc2)cc1[N+](=O)[O-] 809051967 XBPTYPIJPDGJTB-VLIAUNLRSA-N 444.509 4.282 5 20 IIBD CCc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)ccc1O 811306423 RHUGRFAYHRSVAA-SNVBAGLBSA-N 426.347 4.066 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C(=O)Nc1ccc2ccccc2c1 814482906 LWOGJZNJCGWSIP-ZDUSSCGKSA-N 425.416 4.137 5 20 IIBD C[C@H](OC(=O)c1ccc(OC(F)F)c(F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 815484134 DRQWUHORNYZWFR-QMMMGPOBSA-N 432.738 4.173 5 20 IIBD CC(=O)N(c1ccccc1)c1nc(/C=C2/N=C(c3ccc([N+](=O)[O-])c(C)c3)OC2=O)cs1 912758484 OJPJRGPIYPLVKU-WOJGMQOQSA-N 448.460 4.389 5 20 IIBD O=C(CSCc1cc(=O)n2ccsc2n1)OCc1nc2ccccc2c2ccccc12 913252778 PCKHQNFRJGGZSX-UHFFFAOYSA-N 447.541 4.434 5 20 IIBD C[C@@H](OC(=O)c1cc(Cl)ccc1Br)C(=O)Nc1ccccc1[N+](=O)[O-] 913344462 UVLKROOSZYQLLY-SECBINFHSA-N 427.638 4.195 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(Oc3nc4ccccn4c3[N+](=O)[O-])cc2)s1 917068981 KXHKUPIVHHAHDQ-UHFFFAOYSA-N 430.467 4.206 5 20 IIBD CCC(CC)C(=O)N1CCC(Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 917088957 NSOFHBUIULMMHY-UHFFFAOYSA-N 432.399 4.361 5 20 IIBD CC(C)C[C@H](C)n1nccc1NC(=O)c1cc([N+](=O)[O-])ccc1I 917669669 CDPFLYLSAUKCIO-NSHDSACASA-N 442.257 4.255 5 20 IIBD Cc1ccc(Oc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cn2)cc1C 917746127 BKOCCBUNQVBHSJ-UHFFFAOYSA-N 444.425 4.108 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3oc(C4CC4)nc3c2)cc1Br 918160930 VLOLBDWLETXMKR-UHFFFAOYSA-N 438.259 4.177 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O 918535244 ZMGWCAVBGZECAW-KRWDZBQOSA-N 436.873 4.193 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 918698401 DCHRBNUZRVOMKD-HZPDHXFCSA-N 431.464 4.064 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1cccc(CO)c1 921224581 AXZTZMFVBYGFQQ-FQEVSTJZSA-N 440.839 4.277 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(CSc2nnc(-c3cccs3)n2C)n1 1320207424 JSAGSKVXFUOCJX-UHFFFAOYSA-N 428.499 4.411 5 20 IIBD O=C1CCc2cc(S(=O)(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)ccc2N1 1322942997 TWOMDFJGLHEFHV-UHFFFAOYSA-N 439.449 4.073 5 20 IIBD COc1cc(C(=O)N2CCCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cc([N+](=O)[O-])c1C 1338928758 LIMODNRIABWSFL-UHFFFAOYSA-N 447.532 4.165 5 20 IIBD Cc1ccncc1C(=O)Nc1ccc(C2(NC(=O)Cc3cccc([N+](=O)[O-])c3)CCC2)cc1 1788816058 BJARPGVVLNMCRU-UHFFFAOYSA-N 444.491 4.289 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)NC1(c2ccc(NC(=O)C3(F)CCC3)cc2)CCC1 1792056531 JABVEDRMBSQITA-UHFFFAOYSA-N 443.450 4.303 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])o1)c1ccc(-c2ccccc2)cc1 1792400707 GZTIUZLMZQDDOR-WKCHPHFGSA-N 445.475 4.420 5 20 IIBD Cc1c(C(=O)N2CCCC23CN(C(=O)[C@H]2CC[C@H](C)CC2)C3)cc(Cl)cc1[N+](=O)[O-] 1845500225 FUDSTMGFIVLYEE-KOMQPUFPSA-N 433.936 4.200 5 20 IIBD CC(C)n1ncc2c(C(=O)NCCNc3ccccc3[N+](=O)[O-])cc(-c3ccco3)nc21 10057193 FEEPAFJNNRNHHO-UHFFFAOYSA-N 434.456 4.022 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 16196512 PURZXUWGSUIRIK-SECBINFHSA-N 439.833 4.062 5 20 IIBD Cc1ccccc1-c1nnc(Sc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])o1 18056679 UGRLQSLCWAHUFJ-UHFFFAOYSA-N 445.400 4.398 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1c(Cl)cc(Cl)cc1Cl 19284501 MPJTWCWPHUORLY-UHFFFAOYSA-N 433.631 4.359 5 20 IIBD C[C@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N(C)Cc1nc2ccccc2s1 22469914 BNZVMCJBJURTMH-NSHDSACASA-N 433.873 4.062 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)OCc2ccccc2Oc2ccccc2)cc1[N+](=O)[O-] 23472952 NMJHZLIUZZQSGK-UHFFFAOYSA-N 427.434 4.148 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccccc2NC(=O)c2ccccc2)cc([N+](=O)[O-])c1 25872574 RLLJHSJUZUXWDW-UHFFFAOYSA-N 433.420 4.276 5 20 IIBD COc1ccc2cc(CN(C)C(=O)COC(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc2c1 26853893 BNTOZUJWQNBKHZ-UHFFFAOYSA-N 442.855 4.225 5 20 IIBD Cc1cc2oc(=O)cc(CN3C(=O)N[C@](C)(c4cccc([N+](=O)[O-])c4)C3=O)c2cc1C(C)C 31659636 REEIUMZSGVEFAP-XMMPIXPASA-N 449.463 4.100 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(SCc2cccnc2)cc1 59869751 JRNXELZEGWBEIF-HNNXBMFYSA-N 436.493 4.039 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1 61733416 UQGLYRJKJDPTSW-UHFFFAOYSA-N 428.452 4.473 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)cc([N+](=O)[O-])c1 63950497 CBUKDNMGXNANMK-UHFFFAOYSA-N 433.420 4.276 5 20 IIBD C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 64897408 OIFGZVJRMRIVGP-AWEZNQCLSA-N 434.481 4.132 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCN(Cc2ccc(Cl)cc2)CC1 109093927 GGRVJXRPTKKWAT-UHFFFAOYSA-N 430.936 4.093 5 20 IIBD O=C(Nc1ccc(-n2cnc3ccccc32)nc1)c1cc([N+](=O)[O-])ccc1N1CCCC1 111008835 XTRIQXIYVJZXQC-UHFFFAOYSA-N 428.452 4.181 5 20 IIBD C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(S(=O)(=O)N(C)C)cc1 237418759 GYJSNANIGLGMDW-OAHLLOKOSA-N 445.566 4.424 5 20 IIBD CC(C)NC(=O)c1ccc(NCc2ccc(N3CCc4ccccc4C3)nc2)c([N+](=O)[O-])c1 301125189 ZVRCNSKKLDCDBJ-UHFFFAOYSA-N 445.523 4.303 5 20 IIBD Cc1cc(C(=O)NC2CCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])CC2)c(C)o1 301159740 RKDXWCOOXBKUML-UHFFFAOYSA-N 447.491 4.434 5 20 IIBD CCc1nn(C)c(N2CCC(c3nc(-c4ccccc4OC)cs3)CC2)c1[N+](=O)[O-] 302722815 MEFKWSDYKWRTER-UHFFFAOYSA-N 427.530 4.407 5 20 IIBD O=C(N[C@H]1CSc2ccc(Br)cc21)c1cc(O)nc2ccc([N+](=O)[O-])cc12 428206970 LYDQZZKEHRPLKT-HNNXBMFYSA-N 446.282 4.188 5 20 IIBD COc1cc(C(=O)Nc2cc(N(C)C)ncn2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 431034932 PNHJYPASQWVQPK-UHFFFAOYSA-N 443.847 4.157 5 20 IIBD O=[N+]([O-])c1ccc2oc(CSc3nnc(-c4cccnc4)n3Cc3ccco3)nc2c1 434807331 LOOUMZUWMVIXML-UHFFFAOYSA-N 434.437 4.323 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 435223096 QAVQGLVEYXIRHD-GFCCVEGCSA-N 449.476 4.201 5 20 IIBD O=C(Cc1csc(-c2ccc3c(c2)OCO3)n1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437114110 YBYKHXNCRCHPGK-UHFFFAOYSA-N 437.477 4.181 5 20 IIBD Cc1nn(CCC(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c(C)c1[N+](=O)[O-] 440945729 RAAFKMKFGNTYBF-UHFFFAOYSA-N 437.481 4.419 5 20 IIBD COc1ccc([C@@H](OC)[C@H](C)NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1 444297143 IIDLYZODFSFLOV-BSEYFRJRSA-N 434.467 4.335 5 20 IIBD CCOc1cc(-c2noc(-c3cc(O)nc4ccc([N+](=O)[O-])cc34)n2)cc(Cl)c1O 445420717 DCPSTUSGPZCZCA-UHFFFAOYSA-N 428.788 4.323 5 20 IIBD Cc1c(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cnn1-c1cccc(Br)c1 446437767 CVTIDUCJBPDZJG-UHFFFAOYSA-N 441.285 4.050 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N(CCc1ccc(F)cc1)C1CCCC1 446898247 APMVJJPNZJCPQE-UHFFFAOYSA-N 425.464 4.307 5 20 IIBD CCOc1cc(C(=O)N[C@H](C)c2ccc(-n3nc(C)cc3C)cc2)c([N+](=O)[O-])cc1OC 461593327 CFPPAQZDDGFUBW-MRXNPFEDSA-N 438.484 4.296 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](c1ccc(Cl)cc1)c1noc(C)n1 462606930 NBSNBMNYYRVQBG-BEFAXECRSA-N 428.876 4.414 5 20 IIBD COc1cc(CN2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)c([N+](=O)[O-])cc1OCC(F)F 463204901 TWCZROMWZMOMNK-RMRDIRSESA-N 442.503 4.399 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](CC)c2nc(C(F)(F)F)cs2)cc1OC 465199821 ZAQQCRCPJIHGSE-SNVBAGLBSA-N 433.408 4.359 5 20 IIBD Cc1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)cc1Oc1ncccc1Br 468610088 QKGNDNMWZGBZIJ-UHFFFAOYSA-N 446.261 4.078 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N(c2ccccc2)C2CCCC2)c(Br)c1 468697943 BAJXXMCTHSQUAT-UHFFFAOYSA-N 425.304 4.495 5 20 IIBD Cc1ccc(C2(CNC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)CCC2)cc1C 468761557 AKZXTZDBVBUPAF-SFHVURJKSA-N 441.553 4.116 5 20 IIBD CC(C)n1ncc2c(C(=O)N3CC(Oc4ccc([N+](=O)[O-])cc4)C3)cc(-c3ccco3)nc21 470306502 DYKLJZKQEOJRPI-UHFFFAOYSA-N 447.451 4.084 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)NCCCc1ccc(Br)cc1OC 471089380 SFTANQDLPAYIRR-UHFFFAOYSA-N 437.290 4.127 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCCCC[C@@H]1c1noc(-c2cnn(C)c2)n1 475558240 IBRJOISSFZAULQ-QGZVFWFLSA-N 439.476 4.144 5 20 IIBD Cc1ccc(I)cc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 476279994 QHQOLHSVYSTHSU-UHFFFAOYSA-N 435.221 4.101 5 20 IIBD CCc1cc2nncn2c(S[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)n1 477043419 MQMOALPGAXNEIL-FQEVSTJZSA-N 448.508 4.375 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3ccc(F)cc3C(F)(F)F)CC2)ccc1[N+](=O)[O-] 477372296 KWGQXKICLOLVGQ-UHFFFAOYSA-N 441.381 4.114 5 20 IIBD CCCCn1ccnc1-c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)c1 477372884 FSHUTCFQOKLSEZ-UHFFFAOYSA-N 430.486 4.068 5 20 IIBD Cc1nc2ccccc2n1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 477384980 STKZHNWVXMYUID-UHFFFAOYSA-N 430.411 4.332 5 20 IIBD CC(C)(C(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1)n1cc([N+](=O)[O-])cn1 477707738 JJYXQFQKSQFTJR-UHFFFAOYSA-N 425.392 4.307 5 20 IIBD Cc1ccc([C@H](C)N[C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)cc1[N+](=O)[O-] 479408366 NDEOTNUNVSGVSV-QWRGUYRKSA-N 432.329 4.269 5 20 IIBD O=C(O)c1nc(/C=C\c2ccc(Br)cc2[N+](=O)[O-])sc1Br 486033862 YXHYDBPPVCJKME-RQOWECAXSA-N 434.065 4.445 5 20 IIBD O=C(NC[C@H](Cc1cccc2ccccc12)C(=O)O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 486392350 FJYZQOIJUAIQPD-HNNXBMFYSA-N 446.381 4.440 5 20 IIBD CC(=O)N(c1nc(Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)cs1)c1ccccc1F 487927540 TUOGZMWTPZOFNC-UHFFFAOYSA-N 438.440 4.238 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N(Cc1ccc(Cl)cc1)C1CC1 489000609 KUBKSLWBSQQSBI-UHFFFAOYSA-N 445.722 4.364 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)N1CCOC2(CCOCC2)C1 489151290 UMJQPCYPKOUJGJ-UHFFFAOYSA-N 448.928 4.421 5 20 IIBD O=C(Nc1ccc(Oc2cccc(F)c2F)nc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 489207430 XCSULGPTGAPUTE-UHFFFAOYSA-N 444.398 4.126 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C 490133839 VYAFIAKOKVOKCI-DYVFJYSZSA-N 444.431 4.073 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 490418178 NMAUYVNZEJFESC-GUYCJALGSA-N 444.431 4.073 5 20 IIBD O=C(c1csc(I)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 492894814 SDZWEBAWSRSHRG-UHFFFAOYSA-N 428.251 4.066 5 20 IIBD CC(C)Oc1cc(F)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1I 493408182 GEFPBBHWXJFRHQ-UHFFFAOYSA-N 444.200 4.378 5 20 IIBD COCCN(Cc1cc(Br)cs1)C(=O)NCc1cccc([N+](=O)[O-])c1C 494823395 JBLRIKGOVYEMDI-UHFFFAOYSA-N 442.335 4.085 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1c(O)c(Cl)cc(Cl)c1Cl 497110350 XFEVIMKXZIEGMZ-UHFFFAOYSA-N 433.631 4.213 5 20 IIBD COc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1Br 497759994 POLBWAMBKKYVFN-NSHDSACASA-N 430.258 4.405 5 20 IIBD O=[N+]([O-])c1ccc([C@@H]2SCCN2S(=O)(=O)c2cc(Cl)sc2Cl)cc1 497970965 SEFQJKHPKZOHMU-ZDUSSCGKSA-N 425.340 4.399 5 20 IIBD CC(=O)CCc1ccc(OCCC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 498134683 IDCXQEMPUWXVIN-QFIPXVFZSA-N 428.510 4.160 5 20 IIBD Cc1ccc(C[C@@H]2CCCN2C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 499252505 PMDQMBDBHXKYQL-SFHVURJKSA-N 437.525 4.030 5 20 IIBD O=[N+]([O-])c1ccc(OC(F)F)c(NS(=O)(=O)c2csc(-c3ccccc3)n2)c1 499493006 FLGGLFBXBKWAQW-UHFFFAOYSA-N 427.410 4.121 5 20 IIBD Nc1cccc([N+](=O)[O-])c1C(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 499996434 CVTNFTFFODJRJE-UHFFFAOYSA-N 431.452 4.020 5 20 IIBD CCOc1cc(C(=O)N[C@H](C)Cc2ccccc2C(F)(F)F)c([N+](=O)[O-])cc1OC 503633331 ZLKJUXBTWZENFH-GFCCVEGCSA-N 426.391 4.382 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc2c1CN(CC(F)(F)F)C2 504819319 PIKKREYZPRSYDK-UHFFFAOYSA-N 428.798 4.448 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCO[C@H](c2ccccc2Cl)C1 505148332 HKJZRCGLCPLLDY-SGTLLEGYSA-N 425.268 4.269 5 20 IIBD O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 505439642 HYTOPRHWTGKLHS-MRXNPFEDSA-N 426.301 4.092 5 20 IIBD COc1cc(C(=O)NCC(C)(C)c2cccc(Br)c2)c([N+](=O)[O-])cc1OC 507066915 ZNVGWRSCLNTFSY-UHFFFAOYSA-N 437.290 4.082 5 20 IIBD Cc1ccccc1-n1nc(C)c(CN(C)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1C 508245524 GHJOFUAANFXDFN-UHFFFAOYSA-N 444.495 4.164 5 20 IIBD COc1cc(I)c(Cl)cc1C(=O)Nc1cccc([N+](=O)[O-])c1C 508772110 GCZQOEZELGQOGB-UHFFFAOYSA-N 446.628 4.422 5 20 IIBD COc1cc(C(=O)N2CCO[C@@H]3CCC[C@@H]32)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 509547723 AHEWVOVGDCMTAK-DOTOQJQBSA-N 432.860 4.443 5 20 IIBD Cc1cc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)ccc1Oc1cccnc1 509825499 FYAZQRNJHANOHH-UHFFFAOYSA-N 438.509 4.110 5 20 IIBD C[C@@H](c1ccc2ccccc2c1)N(C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C1CC1 509896999 WGDLLXQNQPAACP-HNNXBMFYSA-N 443.459 4.096 5 20 IIBD CCN(Cc1ccc2ccccc2c1)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 511448296 WFOQOOIIIAAODA-UHFFFAOYSA-N 433.464 4.485 5 20 IIBD O=C(NC1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1)C1CC1 512562690 AADGVBIADBZAIW-UHFFFAOYSA-N 443.887 4.171 5 20 IIBD CCOC(=O)[C@@H](c1ccc(Cl)cc1)N(CC)C(=O)c1ccc(OCC)c([N+](=O)[O-])c1 514523882 AQKTYYWENXRZRU-LJQANCHMSA-N 434.876 4.413 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2 516989983 XATKBIFINMYOJA-UHFFFAOYSA-N 447.516 4.457 5 20 IIBD C[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccc(OCC(F)(F)F)cc1 518634944 UIMZXPRQCLHUJJ-ZDUSSCGKSA-N 434.374 4.213 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccc(OCC(F)(F)F)cc1 520439139 QTLFWHFOWUFWJW-NSHDSACASA-N 432.782 4.273 5 20 IIBD NC(=O)NCc1ccc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1 520750270 UIHXSIOLPYBMMG-UHFFFAOYSA-N 440.843 4.461 5 20 IIBD CCN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 522474270 MTPKAZVEWWTUGW-FQEVSTJZSA-N 429.904 4.210 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N(CCO)Cc1cc(Br)ccc1F 522841104 CRQIHVCNESCJMW-UHFFFAOYSA-N 446.660 4.176 5 20 IIBD O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCO[C@@H](c2ccc(Br)cc2)C1 522980007 BCHCDJYIMBANLS-MRXNPFEDSA-N 425.666 4.224 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1(c2ccc(Cl)cc2)CCCCC1 523230899 WAADEMPCODWLNE-UHFFFAOYSA-N 445.903 4.214 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)cc1[N+](=O)[O-] 524383547 JFAVUCLTZFEYSR-UHFFFAOYSA-N 443.456 4.024 5 20 IIBD Cc1cc(NC(=O)COc2ccc(Br)cc2[N+](=O)[O-])n(-c2ccccc2F)n1 525626510 IQUPADQAYHXBGC-UHFFFAOYSA-N 449.236 4.008 5 20 IIBD CN(c1ccccc1)c1ccc(CNCc2ccccc2CS(C)(=O)=O)cc1[N+](=O)[O-] 532046330 CSGJVLQLDSKQAE-UHFFFAOYSA-N 439.537 4.197 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCC([C@@H](O)C(F)(F)F)CC3)c([N+](=O)[O-])c2)cc1 532498905 YEJKOICGGRLDLI-LJQANCHMSA-N 437.418 4.295 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(SCc2ccccc2)cn1 533140894 GRZWFJNOZYHIEK-QGZVFWFLSA-N 440.529 4.153 5 20 IIBD O=C(Nc1cccc2c1CN(c1ccccn1)C2)c1cc(O)nc2ccc([N+](=O)[O-])cc12 533841830 YGYJXEDLXOCZES-UHFFFAOYSA-N 427.420 4.016 5 20 IIBD Cc1ccc(NC(=O)C[S@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1Cl 534796124 HRLHNJRUYMNGGA-GDLZYMKVSA-N 433.873 4.099 5 20 IIBD CC[C@@H](C[C@@H](C)CO)NC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 535422850 IDOLIUFVBGQDJI-ZBFHGGJFSA-N 430.526 4.075 5 20 IIBD Cc1nc([C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c2ccc(Cl)cc2)no1 536510823 YEUJIPPZBSGLRF-GOSISDBHSA-N 427.848 4.033 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O 537150997 DWGTXFBFOPXXIU-KRWDZBQOSA-N 433.917 4.284 5 20 IIBD O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1C(F)(F)F 537360362 RWCBAKYRTKGSNY-UHFFFAOYSA-N 432.196 4.218 5 20 IIBD CC[C@H](CSc1ccccc1[N+](=O)[O-])Nc1cccc(CN2CCC(C(N)=O)CC2)c1 539636594 WCAUGBFJWUNUAN-LJQANCHMSA-N 442.585 4.275 5 20 IIBD Cc1nn(CCC(=O)N(c2ccccc2)c2ncccc2Br)c(C)c1[N+](=O)[O-] 540274131 DZMQZSYDXKSYJF-UHFFFAOYSA-N 444.289 4.321 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2oc3ccc(OC)cc3c2C)c([N+](=O)[O-])c1 541653096 FPJGLLLABSRCBX-ZIAGYGMSSA-N 427.457 4.344 5 20 IIBD CC(C)n1nnnc1-c1ccc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1F 542152997 ARGCLFKGGJISQP-GFCCVEGCSA-N 430.465 4.088 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)c1 542730318 USLBVUWXWQFRSL-LJAQVGFWSA-N 444.534 4.320 5 20 IIBD COc1ccc(NC(=O)[C@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)cc1[N+](=O)[O-] 542933077 IJWQUFBWPUGORU-HSZRJFAPSA-N 435.480 4.079 5 20 IIBD C[C@@H](C(=O)Nc1n[nH]c(-c2ccccc2Br)n1)c1ccc([N+](=O)[O-])cc1F 544401718 YELCOXLGUWQENK-SECBINFHSA-N 434.225 4.024 5 20 IIBD C[C@H](C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1)c1ccc([N+](=O)[O-])cc1F 544523131 QOZGMNSWYQERBZ-KPZWWZAWSA-N 437.265 4.200 5 20 IIBD O=[N+]([O-])c1cc(F)ccc1/C=C/c1nc(Cc2ccn(-c3c(F)cccc3F)n2)no1 547254628 RLTRZIIJWGXXOR-FNORWQNLSA-N 427.342 4.342 5 20 IIBD COc1cc(OC)c(OC)cc1/C=C\c1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 547267664 PAVZJRWSWVLFSG-DAXSKMNVSA-N 436.424 4.246 5 20 IIBD O=c1c(Cl)c(N2CC[C@](F)(c3ccccc3F)C2)cnn1-c1ccc([N+](=O)[O-])cc1 548986707 DBFZXQBSSPHQLJ-HXUWFJFHSA-N 432.814 4.008 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)C2C[C@@H]3CC[C@H](C2)N3C)cc1 553156001 MLYQFGRULHMPGD-BYICEURKSA-N 425.485 4.093 5 20 IIBD CCOc1cc(NC(=O)N[C@H](C)c2nccn2-c2ccccc2)c([N+](=O)[O-])cc1OCC 554363091 GKWAPGZNQCHFSV-OAHLLOKOSA-N 439.472 4.461 5 20 IIBD Cc1nc(CN2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)oc1-c1ccc(Cl)cc1 555742421 PWUUNYXCQCYIAN-UHFFFAOYSA-N 440.887 4.170 5 20 IIBD CC(=O)c1cc(N[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)ccc1[N+](=O)[O-] 557644245 RPZLJNWPDWWNDL-SFHVURJKSA-N 435.402 4.419 5 20 IIBD O=C(Nc1ccnc(N2CCc3ccccc3C2)c1)c1cc([N+](=O)[O-])ccc1OC(F)F 563705918 DZHKEBRNYFIRMP-UHFFFAOYSA-N 440.406 4.406 5 20 IIBD CSc1ccc([C@H](CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])N(C)C)cc1 569383088 OKECEPVSMJUNHE-ACJLOTCBSA-N 437.949 4.157 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCc1cc(F)c(C(F)(F)F)cc1F 571511284 WMJIMUBGVDZSHW-UHFFFAOYSA-N 441.312 4.135 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 573818719 NUCROIISZHEROW-LJQANCHMSA-N 438.509 4.102 5 20 IIBD COc1cc(OCc2nc(-c3cccc(OCc4ccccc4)n3)no2)ccc1[N+](=O)[O-] 590280355 GVTLWCXSBFQCTE-UHFFFAOYSA-N 434.408 4.206 5 20 IIBD Cc1cc(CNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)ccc1Oc1ccc(F)cc1 600847748 PEKZNKLECNAWSW-UHFFFAOYSA-N 431.445 4.094 5 20 IIBD COc1ccccc1OCC(=O)Nc1cccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 603937425 TVKNVQVJZKAFTM-UHFFFAOYSA-N 435.436 4.182 5 20 IIBD COc1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)cc(OC)c1OC 603996862 HRRQNTJFYLXDLA-UHFFFAOYSA-N 429.454 4.305 5 20 IIBD COC(=O)[C@H](C)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2 604232320 NZVARMPMQNMFFM-YIQZXQSLSA-N 445.475 4.311 5 20 IIBD COc1ccc(CNC(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)cc1[N+](=O)[O-] 604510152 HYABSYKDKKCRRT-UHFFFAOYSA-N 445.479 4.001 5 20 IIBD Cc1nc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)sc1Cc1ccc(F)cc1 608938774 WKWQIENLQMGGEK-UHFFFAOYSA-N 429.429 4.113 5 20 IIBD CN(c1ccccc1)c1ccc(CNCCNC(=O)c2c(F)cccc2F)cc1[N+](=O)[O-] 609578362 REHLUEJICLZAJZ-UHFFFAOYSA-N 440.450 4.161 5 20 IIBD COc1cc(C(=O)N[C@H](C)[C@@H](OC)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC(F)F 609865772 GBPAVYRQMSGGTO-BMLIUANNSA-N 444.818 4.364 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@H]1CN(Cc2ccccc2)CCO1 610158303 VOERNZNODBOEQO-HSZRJFAPSA-N 433.464 4.227 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1cc(Br)ccc1OC 610167538 ITZWBTPQDPCBPV-UHFFFAOYSA-N 427.276 4.105 5 20 IIBD Cc1nn(C)cc1[C@@H]1CCCN1C(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 610729336 BMOBFGXKBDJMKY-QINHECLXSA-N 425.533 4.096 5 20 IIBD COc1cc(CNc2ccc(Cn3cncn3)cc2)c([N+](=O)[O-])cc1OCc1ccccc1 610910668 PKSWPGPOUHRDNX-UHFFFAOYSA-N 445.479 4.434 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1 727220425 QXQFTIAOBATMRJ-LLVKDONJSA-N 427.240 4.159 5 20 IIBD O=C(OCc1ccc2ncccc2c1)c1ccc([N+](=O)[O-])cc1I 729801287 ABTMDCVQRXLXDG-UHFFFAOYSA-N 434.189 4.105 5 20 IIBD COc1ccc([C@H](OC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C)n2cccn2)cc1 729801564 BSPHSTRVHGWUJH-OPAMFIHVSA-N 447.451 4.145 5 20 IIBD CN(CCOC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 729895335 XWQJZTKURFMHQF-UHFFFAOYSA-N 433.464 4.165 5 20 IIBD CSCc1c(C(=O)O[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)oc2ccccc12 731503006 WAXGZXWAGNQEFO-SFHVURJKSA-N 426.450 4.166 5 20 IIBD O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1csc(-c2ccccc2Cl)n1 731516939 PFLWQWKEPVBHFO-KRWDZBQOSA-N 443.868 4.334 5 20 IIBD CC(C)c1ocnc1C(=O)O[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 732385915 HUNKVVLQCMDLHG-NSHDSACASA-N 430.442 4.014 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cnc(-c3ccccc3)[nH]2)cc1)c1cccc([N+](=O)[O-])c1 736067068 BEAOAWYHLGAFRE-UHFFFAOYSA-N 428.404 4.456 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCC[C@H](C)[C@H]1c1ccc(C)cc1 737981329 WHBISUCPAHXWLM-HJPURHCSSA-N 426.469 4.103 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCC(OCC2CCCCC2)CC1 742417527 AXDZAGYPOCMDKO-UHFFFAOYSA-N 432.489 4.157 5 20 IIBD CC(C)(C)OC(=O)Cc1cccc(Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])c1 742425778 HNSKKTKRHUBJEF-UHFFFAOYSA-N 442.440 4.219 5 20 IIBD C[C@@H](OC(=O)c1cnc2ccccc2c1C(F)(F)F)C(=O)Nc1cccc([N+](=O)[O-])c1 744574054 POCBLOIUWMOOSH-LLVKDONJSA-N 433.342 4.346 5 20 IIBD C[C@@]1(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCc2ccccc2C1 745668337 JQMHKXDHBBXANF-HXUWFJFHSA-N 436.386 4.291 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)O[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1[N+](=O)[O-] 746068628 MSEWPHOZAQIFHI-JTQLQIEISA-N 432.776 4.433 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1CSc1nnc(N2CCCCC2)n1C[C@@H]1CCCO1 746388488 AFWJMEVGFWCILD-INIZCTEOSA-N 437.953 4.301 5 20 IIBD COc1cc(C(=O)O[C@H]2CCN(C(C)C)C2=O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 746936890 RTMYYKAZXVUNDP-SFHVURJKSA-N 448.859 4.215 5 20 IIBD C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 747001488 VVAAFXLACRHYQO-SNVBAGLBSA-N 440.681 4.169 5 20 IIBD C[C@H](OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1nc2cc(Cl)ccc2n1C 750217709 CAJKJHNCJLDCTG-LBPRGKRZSA-N 425.832 4.239 5 20 IIBD COc1cc(C(=O)O[C@@H](C)Cc2ccccc2)c([N+](=O)[O-])cc1OCc1cscn1 750412857 QJNHGFCYHNDHLJ-AWEZNQCLSA-N 428.466 4.427 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)OCc2cccnc2Cl)cc1[N+](=O)[O-] 750640747 HKIZGDUSBOIUMM-UHFFFAOYSA-N 439.855 4.297 5 20 IIBD CC1=NN(c2ccc(C(=O)N3CCc4c(Br)ccc([N+](=O)[O-])c4C3)cc2)CC1 750663315 LYFGMXXWUIFMFB-UHFFFAOYSA-N 443.301 4.142 5 20 IIBD O=C(NCc1nc2ccc(Cl)cc2[nH]1)c1cc(Br)cc([N+](=O)[O-])c1Cl 750879328 PXUAKMBISYUIBB-UHFFFAOYSA-N 444.072 4.470 5 20 IIBD C[C@@H](C[C@H](O)c1ccccc1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 750906139 WRJJESHLRFGNME-BONVTDFDSA-N 427.682 4.253 5 20 IIBD CCN([C@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 751121208 IBAKMYUYPQITET-HXUWFJFHSA-N 429.473 4.238 5 20 IIBD O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(-n2cc(Br)cn2)cc1 751646460 YPZUJBUAMJFDLV-UHFFFAOYSA-N 443.213 4.041 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 752022200 BOLNKQJFZYZCBW-QHCPKHFHSA-N 447.532 4.002 5 20 IIBD C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)cc1 752974918 DNEHCSRMTCHTJQ-ZDUSSCGKSA-N 437.905 4.064 5 20 IIBD Cc1c(Br)cc(C(=O)OCC(=O)N(C)[C@H](C)c2ccccc2)cc1[N+](=O)[O-] 753427682 BQYCTDVSQSLEGE-CYBMUJFWSA-N 435.274 4.042 5 20 IIBD CCC[C@H]1CCCCN1C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 754687630 SWULUTMLISGEPY-KRWDZBQOSA-N 432.498 4.157 5 20 IIBD COc1cc(CN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C2CC2)ccc1O 755026732 XJRHYZLDFZSFPG-UHFFFAOYSA-N 436.262 4.268 5 20 IIBD COc1ccc(C(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1Cl 758446272 ATNFZJSRQQGYQY-SECBINFHSA-N 442.649 4.448 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)CCn1ccc2cc(Cl)ccc21 758870156 KMIGJMSOODWPSQ-CYBMUJFWSA-N 445.859 4.172 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@H](C)C[C@@H](O)c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 759088122 OOICNGHBWRCDKB-SAHWJRBASA-N 434.496 4.405 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1cnc2ccc(F)cc2c1 759760830 CLNKJHGCZFOJDL-UHFFFAOYSA-N 435.415 4.383 5 20 IIBD C[C@H](NC(=O)NC[C@H](O)c1cccc(OCc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 760745518 YAFAPKFGDJUWRQ-SBUREZEXSA-N 435.480 4.268 5 20 IIBD COc1ccc([C@@H]2CCCN2S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)cc1OC 762279998 DEBGONWJJBMCMZ-HNNXBMFYSA-N 440.905 4.100 5 20 IIBD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)ccc21 764216339 DGXMIBVZYWUAHN-UHFFFAOYSA-N 428.876 4.324 5 20 IIBD C[C@H](Nc1ccc(C(=O)O[C@@H]2CCOC3(CCOCC3)C2)cc1[N+](=O)[O-])c1ccccn1 765682894 HPRYAOCAOLXVMI-FUHWJXTLSA-N 441.484 4.048 5 20 IIBD C[C@@H](Cc1ccc(Br)cc1)C(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 766236806 KDALLKVLUIQPFQ-QWHCGFSZSA-N 435.274 4.106 5 20 IIBD C[C@H](OC(=O)c1ccn(-c2ccc(F)cc2F)n1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 766815628 WISDVBQPOHCGRW-NSHDSACASA-N 441.350 4.027 5 20 IIBD COC(=O)C[C@]1(NC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)CCOC1 768548353 TXURCZJRUBQQIX-HHHXNRCGSA-N 443.499 4.385 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 769122801 VPPFAIFJHNBQOY-OAHLLOKOSA-N 432.546 4.455 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CC=C(c2ccccc2Cl)CC1 769154965 YUKMMEMPVYJHPC-UHFFFAOYSA-N 427.888 4.014 5 20 IIBD COc1cccc(C(=O)O[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 769605948 WZGDFPDUSUUUAY-MNOVXSKESA-N 441.267 4.333 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 769626300 VSADCVFFRVGCDF-UHFFFAOYSA-N 433.380 4.102 5 20 IIBD COc1ccccc1[C@@H](CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])OC(C)C 770150148 LVVOSSODCIHKFU-GOSISDBHSA-N 444.456 4.178 5 20 IIBD Cn1cc([C@@H](O)C[C@H]2CCCN2Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cn1 770389704 ZXQFBCSIWIXLSK-KNQAVFIVSA-N 440.475 4.348 5 20 IIBD COc1cc(/C=C(\Cl)c2nnc(C(=O)NCc3ccc(C)cc3)s2)ccc1[N+](=O)[O-] 770571940 ZCSBJDJNPXKRDW-DHDCSXOGSA-N 444.900 4.430 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c32)c1C 773021354 NDFGSSXBTHDILA-UHFFFAOYSA-N 447.513 4.310 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 773259698 BJAAXTHHLLIESZ-PBHICJAKSA-N 439.390 4.455 5 20 IIBD CC(=O)CCc1ccc(OCC(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)cc1 773414851 DRAYTBZMHHUZHJ-UHFFFAOYSA-N 436.258 4.001 5 20 IIBD CC(C)[C@H](OC(=O)c1sc(Br)cc1[N+](=O)[O-])C(=O)N1CCCC[C@H]1C 773604962 LFBICEOXYAQETI-MFKMUULPSA-N 433.324 4.001 5 20 IIBD C[C@@H](C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1cn(C)c2ccccc12 774077215 LJOZXKRHXRDLCW-IAGOWNOFSA-N 435.480 4.038 5 20 IIBD CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)c1Cl 774220693 STXWMFSOSQYDQR-UHFFFAOYSA-N 443.308 4.207 5 20 IIBD COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 775251512 UFVCYBAXCQRQHR-UHFFFAOYSA-N 435.285 4.118 5 20 IIBD CN(C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 775495605 NCGZURZEZCPZDN-INIZCTEOSA-N 432.502 4.081 5 20 IIBD CN(C)c1ccc(N(Cc2ccc[nH]2)C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)cc1 775785206 MNBZVBZRSLASQS-UHFFFAOYSA-N 445.479 4.149 5 20 IIBD O=C(C[C@H](c1ccccc1)N1CCOC1=O)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776133540 MUJHEFZNDNIUMJ-FYYLOGMGSA-N 447.447 4.206 5 20 IIBD CN(C)c1ccc(N(Cc2ccccn2)C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 776387332 QYURLYMUWQQJCA-UHFFFAOYSA-N 429.480 4.313 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)n1 778525215 UXGKWBOJUWSQMB-KRWDZBQOSA-N 431.876 4.193 5 20 IIBD C[C@H](c1cc2ccccc2o1)N(C)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 778887986 PRSCBMJPDCVGBD-GFCCVEGCSA-N 448.378 4.319 5 20 IIBD Cc1cccc(Cl)c1NC(=O)COc1cc([N+](=O)[O-])ccc1I 780354945 ZVDWJWCPUZDMNH-UHFFFAOYSA-N 446.628 4.179 5 20 IIBD COC(=O)N(C)c1ccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1 780458600 DJLSVLYMSIZRAH-UHFFFAOYSA-N 437.402 4.414 5 20 IIBD CC(C)C(=O)Nc1ccc(C(=O)COC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 781266921 CJIVQZGRGMEUQK-UHFFFAOYSA-N 442.471 4.316 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 782073030 COFLKBOQLXUWML-SFHVURJKSA-N 448.520 4.247 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCCCC[C@H]1C[C@H](O)c1ccccc1 785218545 FLQIGBLZIVNBCP-PXNSSMCTSA-N 445.903 4.082 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCc3nc(C4CCCCC4)[nH]c3C2)cc1SC 791272210 JRIDFVLNQDMWNR-AWEZNQCLSA-N 444.557 4.383 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N(CCC(F)(F)F)Cc1ccccc1 792400516 FCTOHLXGCDAGTJ-UHFFFAOYSA-N 429.782 4.168 5 20 IIBD O=c1oc(-c2ccccc2[N+](=O)[O-])nn1CN1CCC[C@H]1c1ccccc1C(F)(F)F 794625164 AOEFYDBSMMFNLF-INIZCTEOSA-N 434.374 4.225 5 20 IIBD CNC(=O)c1cc(Oc2cccc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])c2)ccn1 794931389 VNTGICDPJXCWJT-UHFFFAOYSA-N 426.816 4.047 5 20 IIBD CC(C)c1n[nH]c(COC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 795254118 VCQUFBBCRYVPBO-UHFFFAOYSA-N 428.832 4.078 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)Cc2ccc3n[nH]cc3c2)c2ccccc2)c([N+](=O)[O-])c1 796120140 SYNJMRKVSBPBGQ-QHCPKHFHSA-N 444.447 4.245 5 20 IIBD CC(C)([C@H](OC(=O)c1cc2nccnc2cc1F)c1ccc(Br)cc1)[N+](=O)[O-] 796831659 GLXHGZGUQOLJQE-QGZVFWFLSA-N 448.248 4.485 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Oc2cccc(Oc3ncccn3)c2)c(Cl)cc1Cl 809813822 QGXSVCHKRLYOKC-UHFFFAOYSA-N 442.236 4.252 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCN(C(=O)NCc3cccc([N+](=O)[O-])c3)C2)C1 814365345 GUUBKBFUDXKSMB-OALUTQOASA-N 446.548 4.164 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C(=O)NC12CC3CC(CC(C3)C1)C2 815511044 SMMMLAGYYTVZFI-JIEKGTPASA-N 440.418 4.244 5 20 IIBD C[C@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 913419093 NFDXKBBXSWFHOF-ZDUSSCGKSA-N 437.905 4.064 5 20 IIBD Cc1cccc(-c2nc(CC(=O)OCc3nc(-c4cccc([N+](=O)[O-])c4)no3)cs2)c1 914800415 CLSSRTUMLYWZCB-UHFFFAOYSA-N 436.449 4.363 5 20 IIBD COc1ccc(OC2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)CC2)cc1 916483778 WXELAFQKESSLMU-UHFFFAOYSA-N 439.512 4.277 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cccc3c2OCO3)cc1)c1cc([N+](=O)[O-])ccc1Cl 917429149 OTXMULOQEGMUDW-UHFFFAOYSA-N 440.795 4.448 5 20 IIBD CCCCN1C(=O)C[C@H](C(=O)OCc2cc(F)ccc2[N+](=O)[O-])[C@@H]1c1ccc(OC)cc1 918997812 DDTZJHXPVMDUNZ-UGKGYDQZSA-N 444.459 4.176 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)OCC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)c1 919112674 NUTSQYOXVKXVCY-HNNXBMFYSA-N 434.876 4.088 5 20 IIBD O=C(c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)N1Cc2ccc([N+](=O)[O-])cc2C1 1116157682 FOHWJADCJLVKCS-UHFFFAOYSA-N 447.834 4.205 5 20 IIBD O=C1Nc2ccccc2[C@H]1C1CCN(Cc2ccc([N+](=O)[O-])cc2Br)CC1 1255184389 NBKNWHDOMIEFSG-LJQANCHMSA-N 430.302 4.305 5 20 IIBD COc1ccc(-c2cc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)ccc2OC)cc1 1321458715 UXSFKKIGIFGDRX-UHFFFAOYSA-N 436.420 4.303 5 20 IIBD Nc1c(C(=O)N2CCCCC[C@H]2[C@H]2CCCCC2=O)cc(Br)cc1[N+](=O)[O-] 1322744629 GCVAADPZKHHDKR-HIFRSBDPSA-N 438.322 4.084 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCCN(Cc3nc4ccc([N+](=O)[O-])cc4[nH]3)C2)CC1 1339177366 YQBWYDLBYUPRLK-UHFFFAOYSA-N 429.521 4.084 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccc(C2(NC(=O)C3=COCCC3)CCC2)cc1 1786208228 PNGFCMGVYVPLOD-CSKARUKUSA-N 437.452 4.029 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)C3(F)CCC3)CCC2)cc1)c1cccc(F)c1[N+](=O)[O-] 1790702164 AJLYEGJIZPGART-UHFFFAOYSA-N 429.423 4.374 5 20 IIBD Cc1ccc([C@@H](C)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2cccc([N+](=O)[O-])c2)cc1 1793944629 ZQWTVFPNRXJSRK-TWHAJKEOSA-N 449.551 4.278 5 20 IIBD CCCCC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1[N+](=O)[O-] 1804344938 NUTJUUOVFVBKDJ-CVXXAKHLSA-N 427.545 4.463 5 20 IIBD CC[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1804344966 PVTUIQNMCZMUJC-UTYGPRLXSA-N 439.556 4.463 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C(C)(C)C)[nH]n1 1821283653 UMGPTTRJWOTGMF-INIZCTEOSA-N 431.468 4.117 5 20 IIBD CC/C=C(\C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1832515799 VQPQNCHGWPZMSB-FABZHXBNSA-N 429.517 4.177 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC12CN(C(=O)c1cccc3ccccc13)C2 1845493276 VSYXLXZYKYPIGV-UHFFFAOYSA-N 447.466 4.326 5 20 IIBD CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 9487747 PNPLPGYLOGAMGS-UONOGXRCSA-N 430.457 4.310 5 20 IIBD COc1cc(C(=O)OCC(=O)c2ccc[nH]2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 10911673 ZDZGBBIZLHZJDA-UHFFFAOYSA-N 430.800 4.417 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CSc1nnc(N2CCC(C)CC2)n1Cc1ccco1 11779722 HLTJDJNRIZKYAR-UHFFFAOYSA-N 443.529 4.365 5 20 IIBD O=C(Cc1csc(-c2ccccc2Cl)n1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 23596601 DKHAJCXYTYTKEQ-UHFFFAOYSA-N 442.928 4.263 5 20 IIBD O=C(COC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 24227191 USCVBZOQXKDAEF-UHFFFAOYSA-N 432.148 4.416 5 20 IIBD CCn1c(SCCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1-c1ccccc1OC 26371307 FYJKHDIFDJIMAM-UHFFFAOYSA-N 441.513 4.311 5 20 IIBD O=C(COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cccc([N+](=O)[O-])c1 28280344 RDDGIOPWRTUJID-UHFFFAOYSA-N 436.264 4.428 5 20 IIBD COc1ccc(CN(C)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1OC(F)F 33079469 POHPOKMEYXXWET-UHFFFAOYSA-N 449.454 4.080 5 20 IIBD Cc1cccc(C2(C(=O)N3CCN(C(=O)c4ccc([N+](=O)[O-])s4)CC3)CCCCC2)c1 58231783 GPDFJQDERQKQGR-UHFFFAOYSA-N 441.553 4.151 5 20 IIBD COc1ccc(CS(=O)(=O)Cc2csc(-c3ccc(Cl)cc3)n2)cc1[N+](=O)[O-] 61804939 YGOPUGGJJVVNBK-UHFFFAOYSA-N 438.914 4.495 5 20 IIBD COc1cc(C(=O)N2CCC(Nc3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1OC(F)F 63584321 BFRBCLZTPOBGSN-UHFFFAOYSA-N 439.390 4.061 5 20 IIBD Cc1csc(N(C(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)c2ccccc2)n1 71838685 GXRVMGYRMQLNBL-AWEZNQCLSA-N 440.456 4.217 5 20 IIBD O=C(OCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1)c1ccc([N+](=O)[O-])c(F)c1 110895887 DQLAIKGDYOYYLO-UHFFFAOYSA-N 432.423 4.391 5 20 IIBD Cc1cc(N2CCC[C@H]2c2nc(-c3ccccc3Br)no2)ncc1[N+](=O)[O-] 302628233 GARYTCAJTJXMJE-AWEZNQCLSA-N 430.262 4.452 5 20 IIBD C[C@H](Oc1ccc(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1)c1ccccc1 409566820 DJURERZJDRDGHJ-FXAWDEMLSA-N 432.480 4.456 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 430638158 CHSODKGXVAYCBA-BXWFABGCSA-N 431.920 4.185 5 20 IIBD CC(C)c1[nH]nc(C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1[N+](=O)[O-] 433997153 MLBLZNDYGMZNOY-ZDUSSCGKSA-N 439.447 4.324 5 20 IIBD Cc1c(N[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)cnn1C 435980299 GLLSLGTULOWHSK-GOSISDBHSA-N 444.289 4.191 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)F)cc1Nc1cccc(C[S@@](=O)C2CCOCC2)c1 436380395 ARQIJVYSVJEAMG-GDLZYMKVSA-N 429.420 4.180 5 20 IIBD COCc1cccc2sc(NC(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)nc12 438037111 QVRIXKIHDAYGSD-UHFFFAOYSA-N 442.497 4.426 5 20 IIBD CC(C)(CO)[C@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 438173365 DSYQFTCNJVNZSH-GOSISDBHSA-N 425.510 4.250 5 20 IIBD CC(C)c1ccc(C(=O)Nc2ncc(F)cc2I)cc1[N+](=O)[O-] 438956780 PGYVHNDOYNIHQG-UHFFFAOYSA-N 429.189 4.109 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N(C)[C@H](C)c2c(F)cccc2F)cc1[N+](=O)[O-] 439247943 PHLXNRBHVQEYPT-SNVBAGLBSA-N 449.273 4.326 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N[C@@H](C2CCCCC2)C(F)(F)F)cc1[N+](=O)[O-] 439837428 AOAJCYSHVHFFEK-HNNXBMFYSA-N 443.451 4.116 5 20 IIBD COc1cc(C(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)cc([N+](=O)[O-])c1OC 440751576 WOITWCAAONJNLW-HNNXBMFYSA-N 430.848 4.119 5 20 IIBD CC(=O)c1ccc(OCC(=O)NCc2ccccc2COc2ccccc2)c([N+](=O)[O-])c1 440861970 NDDVOJSQQAAWAK-UHFFFAOYSA-N 434.448 4.072 5 20 IIBD O=C(NCCc1ccc(F)c(F)c1F)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444305353 SOUDPYDSPVTAAB-UHFFFAOYSA-N 432.348 4.349 5 20 IIBD O=C(Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])[C@@H]1CCCN(CC(F)(F)F)C1 446435869 GVVHYMJLSCVFPY-MRXNPFEDSA-N 437.418 4.387 5 20 IIBD CCOc1cc(C(=O)Nc2sc3c(c2C(=O)C2CC2)CCC3)c([N+](=O)[O-])cc1OC 446613993 XZVRDDHIBIYMBI-UHFFFAOYSA-N 430.482 4.397 5 20 IIBD CC[C@@H]1c2ccsc2CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 447037336 IGRXDFSQPBEVNW-CYBMUJFWSA-N 431.333 4.117 5 20 IIBD COc1ccc(NC(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)cc1[N+](=O)[O-] 448003341 GUIYXHLNZDCAEW-INIZCTEOSA-N 449.305 4.474 5 20 IIBD C[C@@H]1C[C@@H](c2ccccc2)CN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 461574006 TVPJGOHVDOWHRS-DBXWQHBBSA-N 433.512 4.272 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC(=O)Nc1ccccc1Br 462386673 CHAYSYIGGJZEMN-HNNXBMFYSA-N 448.317 4.023 5 20 IIBD CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cccc([N+](=O)[O-])c1NC 462904596 WLOMEQIPCCZYBL-UHFFFAOYSA-N 425.272 4.044 5 20 IIBD CCc1ccc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)c2cccc(S(C)(=O)=O)c2)cc1 464363164 SEZXPHHHRNFLHD-JOCHJYFZSA-N 438.505 4.080 5 20 IIBD C[C@H]1SCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)[C@@H]1c1ccccc1 464427198 OYWQNLNXCRWLMH-VLIAUNLRSA-N 429.523 4.010 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCc2sccc2[C@@H]1c1cccs1 465054935 ADONGDLIVNWNRN-OAQYLSRUSA-N 442.518 4.206 5 20 IIBD C[C@H](CN1CCCC1=O)NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 466217849 RGVKMWPHSOMBSO-CYBMUJFWSA-N 433.917 4.140 5 20 IIBD CCN([C@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 467081800 ATSDWKXDRWGKKU-HXUWFJFHSA-N 431.539 4.468 5 20 IIBD CC(C)COC[C@@H](O)CNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 467932712 ZDBDQSCZAVQOPC-HNNXBMFYSA-N 438.933 4.163 5 20 IIBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccc(Cl)cc1-c1ccccc1 468298294 OMSZTZADSBJWFF-UHFFFAOYSA-N 435.823 4.150 5 20 IIBD Cc1cccc([C@H]2CCCCCN2C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)c1 469441651 XUEBFZFMLGEMBM-LJQANCHMSA-N 435.480 4.314 5 20 IIBD CCCN(CCCN(C)C)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 470669976 SPVMWQJQWYEQER-UHFFFAOYSA-N 444.498 4.020 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(C(C)(C)c2ccccc2)s1 471522378 KVVMEKHLWXHNOJ-UHFFFAOYSA-N 432.527 4.135 5 20 IIBD C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)no1 472669225 ITADJZLBJBDZEG-SECBINFHSA-N 435.209 4.037 5 20 IIBD O=C(Nc1cc(-c2cccc(F)c2F)[nH]n1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 473650878 JCOYAOHWRYMKEU-UHFFFAOYSA-N 427.411 4.118 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCC(c2noc(C3CC3)n2)CC1 475212710 MFDIANQIFZIPMZ-UHFFFAOYSA-N 425.367 4.286 5 20 IIBD O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CC(C2CCCC2)C1 477915019 KDQDDQSHHYNAFU-UHFFFAOYSA-N 425.451 4.479 5 20 IIBD CC(C)(C(=O)NCCc1cccc(OCC(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1F 478532235 ZYCJKNSHSUFVMW-UHFFFAOYSA-N 428.382 4.312 5 20 IIBD O=C(NCc1ccnc(-n2cccn2)c1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 481783213 ZSMABGGPLAGHCC-UHFFFAOYSA-N 431.477 4.257 5 20 IIBD C[C@H](NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1)c1ccc([N+](=O)[O-])cc1 483758998 UVVRVGKYFXNJAJ-HNNXBMFYSA-N 427.482 4.036 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](Cc2ccc(OC)cc2)C1 485402682 GWORANNJUUTTIO-GOSISDBHSA-N 444.553 4.437 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1nc(-c2cccc(OC)c2)no1 489927998 GUGKQPAIXUDANO-LBPRGKRZSA-N 428.470 4.256 5 20 IIBD NS(=O)(=O)c1ccc(NCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1 490090512 VEPVMJYGBMAODV-UHFFFAOYSA-N 433.873 4.300 5 20 IIBD O=C(Nc1nnc(/C=C\c2ccco2)s1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 490298556 GJTZPMJXSDIDCG-FPLPWBNLSA-N 425.470 4.065 5 20 IIBD O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 491690949 QTMIYDBFLPBPOO-UHFFFAOYSA-N 430.917 4.263 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(N[C@H](C)c2ccc(OC(F)F)cc2)c([N+](=O)[O-])c1 492352814 PKIFDRVNSNQMDI-CYBMUJFWSA-N 443.472 4.400 5 20 IIBD C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 495033782 YQPASALETMJFHB-RTBURBONSA-N 436.556 4.425 5 20 IIBD CC(=O)N(c1ccc(C)c(C)c1)c1nc(Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)cs1 498029866 VBLZVHRLSXJZLC-UHFFFAOYSA-N 449.492 4.111 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1 500850631 OLDAERDHGIAWHT-UHFFFAOYSA-N 425.432 4.298 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1cccc(NC(=O)c2cccs2)c1 505066722 QEHMKYHZQRMREW-UHFFFAOYSA-N 425.470 4.142 5 20 IIBD Cc1cc(OCC(=O)Nc2cccc(CN3CCSCC3)c2)c(Cl)cc1[N+](=O)[O-] 506549192 XZKPOSMIQAPQOZ-UHFFFAOYSA-N 435.933 4.123 5 20 IIBD O=[N+]([O-])c1cc2c(c(CN3CCN(C4c5ccccc5-c5ccccc54)CC3)c1)OCOC2 506632950 VNMUATXLFRYIRQ-UHFFFAOYSA-N 443.503 4.349 5 20 IIBD CCOc1ccc(C2=CCN(C(=O)COc3ccc([N+](=O)[O-])c4cccnc34)CC2)cc1 509637795 IQNZWCOQPAZORL-UHFFFAOYSA-N 433.464 4.236 5 20 IIBD COCCOc1ccc(F)cc1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 509882824 DENITJFXWVOGBX-UHFFFAOYSA-N 427.226 4.082 5 20 IIBD COc1cc(C(=O)NCC2(c3ccccc3)CC2)c([N+](=O)[O-])cc1OCc1cscn1 509892432 CYAAMHRDGUHKQA-UHFFFAOYSA-N 439.493 4.101 5 20 IIBD COc1cc(CN2CCC[C@H](CN3CCC(C)CC3)C2)c([N+](=O)[O-])cc1OC(F)F 512180269 NNYIUOYYETVQFF-MRXNPFEDSA-N 427.492 4.149 5 20 IIBD CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 513443593 JKQNCALRWUEXQP-CQSZACIVSA-N 445.324 4.056 5 20 IIBD NC(=O)c1cccc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)cn2)c1 514876560 IHLOULYLRQWSHP-UHFFFAOYSA-N 446.341 4.152 5 20 IIBD O=C1CCC(=O)N1c1ccc(-c2nc(Cc3c(Cl)cccc3Cl)no2)cc1[N+](=O)[O-] 515252811 XKZZGVYKTHCEBB-UHFFFAOYSA-N 447.234 4.196 5 20 IIBD COc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)cc1[N+](=O)[O-] 515758792 PDQBWWPOVRTOHD-HXUWFJFHSA-N 432.885 4.325 5 20 IIBD CC(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H](C(=O)Nc2ccccc2)C1 516259488 WIUUWQPKQZVYNE-LJQANCHMSA-N 448.527 4.364 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c(OCCN(C)C)c1 519589201 MAOJBTUTSMKTNK-UHFFFAOYSA-N 436.306 4.167 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 520052164 DEISLLYAIMQJHA-DLBZAZTESA-N 425.363 4.377 5 20 IIBD O=C(N[C@@H]1CCSc2ccc(Cl)cc21)N1CCN(c2ccccc2[N+](=O)[O-])CC1 520833497 CBXURBCMHODAIH-MRXNPFEDSA-N 432.933 4.317 5 20 IIBD CC(C)C(=O)NC1CCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 522708994 RUQPBGHLKSKFGX-UHFFFAOYSA-N 426.473 4.156 5 20 IIBD Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 522950082 IPVDIKMIMZZOEF-LJQANCHMSA-N 444.534 4.082 5 20 IIBD COc1cc(C(=O)NCC2(c3cccc(Br)c3)CCC2)cc([N+](=O)[O-])c1OC 525583774 SWPRDLTWSGXORS-UHFFFAOYSA-N 449.301 4.226 5 20 IIBD COc1ccccc1CN(C[C@H]1CCCO1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 532887579 SFKUXTVFPSWYKZ-GOSISDBHSA-N 449.301 4.187 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 533934420 KZPCZJWJOJWLMM-NTKDMRAZSA-N 432.524 4.132 5 20 IIBD C[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1nc(-c2ccccc2)no1 534820232 GNAJHTVDLHNWLJ-NSHDSACASA-N 433.371 4.171 5 20 IIBD CCc1ccc(NC(=O)[C@@H](C)[S@@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 535512152 XKIGDRJWFQDKCL-WYIRRWHOSA-N 427.482 4.088 5 20 IIBD O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2 536306905 ROANNQQSBANXRQ-HOTGVXAUSA-N 436.842 4.267 5 20 IIBD COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)cc1Cc1ccccc1 537361566 AFRKTXCTCOOFCH-UHFFFAOYSA-N 447.491 4.283 5 20 IIBD O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 537457533 HUHXRYGWEIUZBI-UHFFFAOYSA-N 426.392 4.236 5 20 IIBD CCN(CC)[C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1Cl 537686731 MCARJGBSILFPLV-OAHLLOKOSA-N 431.967 4.208 5 20 IIBD CC(C)(C)OC(=O)c1ccc(Br)c(NC(=O)Cc2ccccc2[N+](=O)[O-])c1 541632495 JRGPWVUIZOAEMI-UHFFFAOYSA-N 435.274 4.494 5 20 IIBD CC(C)Sc1ccccc1C(=O)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 541842700 GZSJIFOTHZZKER-UHFFFAOYSA-N 439.541 4.324 5 20 IIBD C[C@H](C(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1)c1ccc([N+](=O)[O-])cc1F 542639300 GGBJAQQSKXGDDM-HOCLYGCPSA-N 429.496 4.409 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCC(OC[C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] 543320188 HJOMBZUSJOJNNY-QGZVFWFLSA-N 436.574 4.391 5 20 IIBD COc1ccc(NC(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)cc2)cc1[N+](=O)[O-] 543859747 WVBNFWAYEUWGHM-UHFFFAOYSA-N 440.477 4.138 5 20 IIBD CC[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2cc(OC)ccc2c1 544573940 CMGCEUBNIOCZOS-JOCHJYFZSA-N 428.510 4.271 5 20 IIBD CS[C@@H]1C(=O)Nc2ccc(-c3noc(-c4ccc([N+](=O)[O-])cc4Br)n3)cc21 545789976 XZGJIJPEOQWXBZ-AWEZNQCLSA-N 447.270 4.431 5 20 IIBD Cn1c(SCc2cn3cc(Cl)cc(Cl)c3n2)nc2cc([N+](=O)[O-])ccc2c1=O 545838858 HKEVZWNUHDEGFI-UHFFFAOYSA-N 436.280 4.089 5 20 IIBD Cc1cc(C(=O)N2CCOCC2)ccc1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 551091735 XARVIEUPTDXDFW-UHFFFAOYSA-N 438.509 4.111 5 20 IIBD O=C(NC[C@H](NCc1ccccc1)c1ccco1)c1ccc([N+](=O)[O-])cc1Br 553216252 UXXDHAHSFVPFIL-SFHVURJKSA-N 444.285 4.211 5 20 IIBD O=[N+]([O-])c1cccc(-c2ccc(CNCCCS(=O)(=O)c3ccc(Cl)cc3)o2)c1 555642958 FSEOUEPJTJKVRB-UHFFFAOYSA-N 434.901 4.462 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCN(c2ccnc3ccccc23)CC1 556832260 DWOYROOAELEZLU-UHFFFAOYSA-N 445.504 4.229 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(OCC(=O)NC3CC3)c2)no1 561883362 KOLOOJPOKHVTQL-MRXNPFEDSA-N 436.468 4.039 5 20 IIBD C[C@H](C(=O)Nc1n[nH]c(-c2ccc(Br)cc2F)n1)c1cccc([N+](=O)[O-])c1 562408080 RGAWYPBFEVZXNQ-VIFPVBQESA-N 434.225 4.024 5 20 IIBD COc1cc(Cc2noc(-c3ccc(OCc4ccncc4)cc3)n2)c([N+](=O)[O-])c(OC)c1 562481287 TXEAUFNITGFDKT-UHFFFAOYSA-N 448.435 4.227 5 20 IIBD CCOc1ccccc1C(=O)N1CCC[C@@H]1c1nc(Cc2ccc([N+](=O)[O-])c(C)c2)no1 565296643 BPFWGNRKLJAEMP-LJQANCHMSA-N 436.468 4.253 5 20 IIBD C[C@H]1CCCN1C(=O)c1ccc(-c2noc(-c3ccn(-c4ccccc4[N+](=O)[O-])n3)n2)cc1 571935062 IQLVGKAVHGPYNE-HNNXBMFYSA-N 444.451 4.122 5 20 IIBD O=C(Nc1ccc2oc3ccccc3c2c1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 571962254 YXOKDADBZKSHFK-UHFFFAOYSA-N 429.388 4.400 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)Cc1cccc(Br)c1 573469521 FUBDHCNGPMRQFE-UHFFFAOYSA-N 427.320 4.098 5 20 IIBD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2cccc(Cn3cnc4ccccc43)c2)n1 573674584 YQLPTRGQHQMOFB-FYYLOGMGSA-N 430.512 4.463 5 20 IIBD CC[C@@H](C)c1ccc(NC(=O)Cc2noc(-c3cc([N+](=O)[O-])cc4c3OCCO4)n2)cc1 578098712 JYJSWCGCJHARPU-CYBMUJFWSA-N 438.440 4.111 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)cc1[N+](=O)[O-] 578918087 FCQKSLTXPKDFME-LAUBAEHRSA-N 439.512 4.115 5 20 IIBD COc1ccc([C@@H](Cc2ccccc2)NCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 589290928 KNFUUZBXKTYHHW-JOCHJYFZSA-N 435.480 4.124 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 604520812 SOYZERUGZOFOAU-SGXKBVARSA-N 427.501 4.030 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 608963723 XACFGABFOLUYTG-NRFANRHFSA-N 447.894 4.204 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCc2[nH]c3ccc(Cl)cc3c2C1 609197094 KPVMHMRRNYUNNN-UHFFFAOYSA-N 428.876 4.125 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2)cc1 609441772 VLHOPTPYQSJRRJ-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cccc(CS(=O)(=O)c2ccccc2)c1 609505946 VHRKVMCGWGDXMY-UHFFFAOYSA-N 449.488 4.162 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)N2CCc3ccccc3CC2)cc1[N+](=O)[O-] 609702187 QNIUCNUGKJDWEB-UHFFFAOYSA-N 443.503 4.133 5 20 IIBD CC(C)c1cccc(C(C)C)c1NC(=O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 609846492 ZGDVZYIJNKTJFP-KRWDZBQOSA-N 425.533 4.362 5 20 IIBD CC[C@@H](COC)NC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 610026418 UYRBEAZAFQGTIQ-ZDUSSCGKSA-N 425.844 4.404 5 20 IIBD COc1cc(C(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)cc([N+](=O)[O-])c1OC 610172783 CXHYPAKHXODFCN-UHFFFAOYSA-N 435.408 4.190 5 20 IIBD Cc1n[nH]c(C)c1[C@H]1COCCN1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 611286075 MDNKJLVQCNLCQQ-HXUWFJFHSA-N 426.448 4.440 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCCC[C@H]1/C=C\c1cccs1 611957740 ZAUOJXVDAWZLBJ-GGERZCOJSA-N 427.526 4.259 5 20 IIBD COC(=O)COc1ccc(N(C)C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cc1 612212252 MNDMZMZITJNPGZ-UHFFFAOYSA-N 444.509 4.458 5 20 IIBD O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1CCO[C@H]([C@H]2CCCO2)C1 613400873 ACZKLVNGOOXONK-MSOLQXFVSA-N 448.928 4.419 5 20 IIBD COC(=O)C[C@@](C)(NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)c1ccccn1 614428170 UTABRYMBUFVFBN-JOCHJYFZSA-N 443.525 4.233 5 20 IIBD COc1ccc([C@@H](CC(=O)O)NCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)cc1 617339748 VSSWPUXENGTAKG-LJQANCHMSA-N 426.425 4.178 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCOc2c(Br)cccc2C1 619284289 IFVHTVRLPSLDPB-LBPRGKRZSA-N 445.273 4.363 5 20 IIBD CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 725749119 AFUKPXUASKJSQP-SFHVURJKSA-N 449.551 4.013 5 20 IIBD O=C(COC(=O)c1ccc(OCc2ccccc2)nc1)Nc1ccc([N+](=O)[O-])cc1Cl 725981252 JDZIVWLMLGTPFK-UHFFFAOYSA-N 441.827 4.018 5 20 IIBD CC(C)Oc1ccc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C(F)(F)F)c1 726518354 MBXDHGLYLVFVOZ-UHFFFAOYSA-N 427.335 4.239 5 20 IIBD CC(=O)c1csc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 730359241 VAPBRORUVZLZAN-SECBINFHSA-N 430.360 4.062 5 20 IIBD COc1cc(C)c([C@@H](C)Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])cc1OC 731968414 YVTPKYGUSZWYFG-LLVKDONJSA-N 430.429 4.090 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2cccc(OCCCN(C)C)c2)CC1 732030613 MACPWRPLUIMMOA-UHFFFAOYSA-N 440.544 4.414 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NS(=O)(=O)c1ccc(-c2ccccc2)cc1 732612982 BKTXTWAFIXQXDK-OAHLLOKOSA-N 442.518 4.248 5 20 IIBD COc1cccc(CNc2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])c1OC1CCCC1 733303095 FMYUMXDZTAVWMP-UHFFFAOYSA-N 431.445 4.246 5 20 IIBD O=[N+]([O-])c1ccc2nc(Sc3ccc(CNCc4cc[nH]n4)cc3[N+](=O)[O-])sc2c1 733900529 RBKAYWJNVVWWLC-UHFFFAOYSA-N 442.482 4.277 5 20 IIBD COc1ccc(C2(CNC(=O)COc3ccc([N+](=O)[O-])c(F)c3)CCCCC2)cc1OC 733939166 PYGLYQCVHGJJDL-UHFFFAOYSA-N 446.475 4.148 5 20 IIBD COc1cc(F)c([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc1OC 733939865 OWEINACUHHTJFW-HNNXBMFYSA-N 445.491 4.478 5 20 IIBD COc1cc(C(=O)OCCc2cnn(C)c2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 734286390 KMUOHNXZLXKFGS-UHFFFAOYSA-N 431.832 4.182 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)ccc1OCCN1CCCC1 736246864 OGZDMYOOEOZQGT-UHFFFAOYSA-N 442.472 4.155 5 20 IIBD COc1ccc(CSCC(=O)OCc2ccc(Cl)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 740674415 BPQCGMTYUMHDQN-UHFFFAOYSA-N 426.834 4.142 5 20 IIBD CC(C)(C)OC(=O)N(CC(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1)C[C@@H]1CCCO1 741926173 ZLFSISCHZHTPCV-FQEVSTJZSA-N 447.532 4.287 5 20 IIBD COc1ccccc1[C@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)N1CCCCC1 742395052 DVYWWTVQXXQFMG-NRFANRHFSA-N 440.500 4.199 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)Oc2ccc3c(c2)OC(C)(C)CC3=O)cc1[N+](=O)[O-] 742659267 PADJOTXEEZMGAN-UHFFFAOYSA-N 425.846 4.068 5 20 IIBD Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1 742961292 YCDZJAHDSNZREN-UTKZUKDTSA-N 427.457 4.326 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1c2ccccc2N(C(=O)OC(C)(C)C)C[C@H]1C 743344957 DIIJMKSXYGHQBE-OAHLLOKOSA-N 447.513 4.242 5 20 IIBD Cc1nnc([C@H](C)OC(=O)CSc2nc3cc([N+](=O)[O-])ccc3n2-c2ccccc2)o1 744480552 LNDFVPPVIATXHO-LBPRGKRZSA-N 439.453 4.022 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cn2c(-c3ccccc3)csc2=S)CC1 747459847 SIDKZOXMSJUHIA-UHFFFAOYSA-N 440.550 4.270 5 20 IIBD Cc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)OCCn1cc([N+](=O)[O-])cn1 750574967 JJWBWFWUEWJJQO-UHFFFAOYSA-N 445.273 4.145 5 20 IIBD O=C(CCN1CCCCC1)Nc1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 751136067 CBXRLDBQTUNPEI-UHFFFAOYSA-N 430.892 4.315 5 20 IIBD Cc1cc(CCC(=O)OCC(=O)Nc2c(C)cccc2[N+](=O)[O-])ccc1Br 751717000 FJYVJQJBTFNYEI-UHFFFAOYSA-N 435.274 4.089 5 20 IIBD C[C@@H](OC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 752201315 MFMZRDDPBYMHQB-LLVKDONJSA-N 449.341 4.453 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@H](C)C[C@H](O)c2cccs2)cc1[N+](=O)[O-])c1ccccn1 752279039 RHMQEXRCRNGIBQ-SIFCLUCFSA-N 440.525 4.466 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)c1c(F)ccc([N+](=O)[O-])c1F 752559249 NOBZJQPMEOBWLD-SECBINFHSA-N 428.775 4.027 5 20 IIBD O=C(Nc1cnc(Br)c(Br)c1)c1cc(Cl)ccc1[N+](=O)[O-] 757829288 JPGUDLPTVCZBAS-UHFFFAOYSA-N 435.459 4.421 5 20 IIBD O=C(NCc1ccc(OCc2ccccn2)cc1)c1cccc([N+](=O)[O-])c1Br 758103704 JILSZRDDEFAQHT-UHFFFAOYSA-N 442.269 4.261 5 20 IIBD CCCN(CC)C(=O)c1ccc(C(=O)O[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 759955523 XUBMWGWBYMYPJW-OALUTQOASA-N 428.489 4.004 5 20 IIBD O=C(O[C@@H]1CCCN(Cc2ccccc2)C1=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 760508243 IVXDXDBWCTZDHG-LJQANCHMSA-N 437.477 4.066 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 760858761 ADMSKCYJPMTIKQ-RDJZCZTQSA-N 430.505 4.375 5 20 IIBD COc1cc(C(=O)OC[C@@H]2CC3(CC3)C(=O)O2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 763078633 DYMSWASLQPZSGT-AWEZNQCLSA-N 447.827 4.302 5 20 IIBD COc1ccc(CN(C)C(=O)[C@H](OC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C(C)C)cc1 763719151 GRMQVPXUBHZEOL-LJQANCHMSA-N 434.876 4.097 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC(=O)Nc1ccccc1Br 765520506 DMIBKYXITSSBAT-AWEZNQCLSA-N 435.274 4.108 5 20 IIBD COc1cc(C(=O)OCC(=O)[C@@H]2CCCOC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 769062804 HUYVQPGUBXPKQK-CQSZACIVSA-N 449.843 4.202 5 20 IIBD CC[C@@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC[C@H]1NC(=O)OC(C)(C)C 769486554 UTNDVASCCOTJTQ-GDBMZVCRSA-N 442.354 4.483 5 20 IIBD O=[N+]([O-])c1cccc(Br)c1OS(=O)(=O)c1csc(-c2ccccc2)n1 769924875 CCDLCDCNBUSAOS-UHFFFAOYSA-N 441.284 4.249 5 20 IIBD O=C(NCCc1ccon1)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 770096677 LYDBUCBQYMLALW-UHFFFAOYSA-N 434.496 4.014 5 20 IIBD CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)Oc3cc(F)cc([N+](=O)[O-])c3)cc2)cc1 771192544 VYOAQFPVENVUGD-UHFFFAOYSA-N 430.413 4.127 5 20 IIBD CCc1nc2ccccc2n1C1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)CC1 772481421 JURVODNQSTVIBD-UHFFFAOYSA-N 437.456 4.201 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C3)cs1 772859977 WEWFVUAYXRLWOO-UHFFFAOYSA-N 430.467 4.195 5 20 IIBD CCOc1ccc(NC(=O)[C@H](C)OC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 773603803 JNWHCBRSJMXBQR-VIFPVBQESA-N 443.275 4.002 5 20 IIBD Cc1nc2c(s1)[C@@H](N(C)C(=O)c1nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc1O)CCC2 773952905 DKXDABDEIYCKOX-AWEZNQCLSA-N 447.904 4.054 5 20 IIBD CCOC(=O)Nc1ccc2c(Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)cc(=O)oc2c1 777939910 IGMMICJTWGPPAL-UHFFFAOYSA-N 434.408 4.181 5 20 IIBD O=C(Nc1ccc(Oc2ccc(Cl)nn2)cc1)c1cc([N+](=O)[O-])c2nsnc2c1 778277488 JHURIWXLNPOPRC-UHFFFAOYSA-N 428.817 4.088 5 20 IIBD C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 780998772 FPODMBJYCVUHEX-JKSUJKDBSA-N 435.524 4.151 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Oc1ccccc1-c1nccs1 784443796 YTBPZLDDLMKCIQ-UHFFFAOYSA-N 441.284 4.249 5 20 IIBD Cc1cc(C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)c(C)nn1 786017343 VWBSIWUGQPSQEB-LJQANCHMSA-N 440.843 4.192 5 20 IIBD C[C@H](C[C@@H](O)c1cccs1)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 787470026 KSUHZDPTOUZSMQ-FOIQADDNSA-N 426.494 4.477 5 20 IIBD C[C@@H](NCc1ccc(Cl)cc1I)c1ccc(N)c([N+](=O)[O-])c1 788777596 TWPRIKBAPVZPGZ-SECBINFHSA-N 431.661 4.286 5 20 IIBD C[C@H](OC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)C(=O)c1ccccc1Br 789051406 MVYAYTZOWUHTGZ-JTQLQIEISA-N 445.225 4.039 5 20 IIBD COCC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)C1 790427018 VGIWJKCIWHTOQW-UHFFFAOYSA-N 437.540 4.162 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 791122262 UNDKPTIGOWMASJ-YVMONPNESA-N 444.285 4.245 5 20 IIBD CCC[C@@H](NCc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1)c1cccc([N+](=O)[O-])c1 793570478 VAOMRBZEZMQWAQ-QPPBQGQZSA-N 436.512 4.451 5 20 IIBD O=C(Nc1ccc(F)c(N2CCOC2=O)c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 794100187 KDWAVOOVKZWBJQ-UHFFFAOYSA-N 428.401 4.066 5 20 IIBD CO[C@@H]1CCC[C@H](CC(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 796066245 PASVOEAUDYDYDG-JKIFEVAISA-N 447.513 4.184 5 20 IIBD O=c1c2snc(-c3ccccc3)c2ncn1Cc1ccc(Br)c([N+](=O)[O-])c1 800835064 LLLZKLBXABJAJL-UHFFFAOYSA-N 443.282 4.239 5 20 IIBD COC(=O)Nc1cc(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc(C(F)(F)F)c1 803408755 MCQAMJOFQQDSHG-UHFFFAOYSA-N 425.363 4.107 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N(Cc1ccccc1)C[C@H](O)c1ccccc1 804411822 WCHMVLPKJKMOTD-DEOSSOPVSA-N 442.475 4.157 5 20 IIBD COc1cccc(OC)c1OC1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 809912504 FDUDULHTVINWHF-UHFFFAOYSA-N 435.864 4.341 5 20 IIBD CN(CCCOc1ccc(S(C)(=O)=O)cc1)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 809937097 VNWVKWIUAJAXDL-UHFFFAOYSA-N 447.340 4.206 5 20 IIBD O=C(OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]1CCCCN1C(=O)c1ccco1 811082955 COSSDQFMDJYDGT-CQSZACIVSA-N 427.240 4.233 5 20 IIBD C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 813613736 QNDDHPFGMCUWEF-HXPMCKFVSA-N 435.402 4.465 5 20 IIBD O=C(CCCNC(=O)c1ccc(F)cc1)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F 815196100 DLAWTVZNDDJRKF-UHFFFAOYSA-N 428.338 4.006 5 20 IIBD C[C@@H](c1ccc(F)cc1)N1CCC[C@H](OC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1=O 816402005 BVHABHCBUUVYEY-DJJJIMSYSA-N 426.400 4.389 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CCc3nc(C4CCCCC4)[nH]c3C2)c1 819546341 LTYIUNRKNWEXEU-QGZVFWFLSA-N 426.517 4.117 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 820002659 URWYDFYPUIIWBX-AWEZNQCLSA-N 430.436 4.015 5 20 IIBD CCn1ncc2c(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)nc21 827287810 OZOQBXMNSZTQHQ-UHFFFAOYSA-N 430.420 4.066 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1 915020654 OAIAGYLGWPMOKG-UHFFFAOYSA-N 447.447 4.259 5 20 IIBD CNc1ccc(C(=O)O[C@@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)cc1[N+](=O)[O-] 915368885 QFENXSIPDFIAOY-QGZVFWFLSA-N 439.390 4.475 5 20 IIBD CCNc1ccc(C(=O)OCc2nc(O)c3ccc(C(F)(F)F)cc3n2)cc1[N+](=O)[O-] 916596123 AMKJWPZTPDDWKM-UHFFFAOYSA-N 436.346 4.051 5 20 IIBD O=C(Nc1cccc(CN2CCOC2=O)c1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 917188763 OLVOYNJQJSDFAP-UHFFFAOYSA-N 446.463 4.411 5 20 IIBD COc1cccc(OC)c1Oc1ccc(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cn1 917722303 HYYFERNWJKKWPY-XYOKQWHBSA-N 435.436 4.129 5 20 IIBD COc1ccc(/C=C\C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cc1 918637447 LCMSIMPXPFNCPE-IMTHGLKYSA-N 438.480 4.245 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2cccc(-n3ccnc3O)c2)cc1[N+](=O)[O-])c1ccccn1 919753686 JTZNLMXAJIDZOR-OAHLLOKOSA-N 444.451 4.307 5 20 IIBD O=C(CCSCc1ccccn1)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 920079571 BQYQKKOCTVLEBV-UHFFFAOYSA-N 437.477 4.471 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCc1nc(-c2cccc(Cl)c2)no1 920778688 UGJNPAOHYJSSER-JTQLQIEISA-N 438.223 4.462 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1 921266471 ITLNMSJIYLQARM-UHFFFAOYSA-N 441.390 4.072 5 20 IIBD Cc1noc([C@H](C)OC(=O)CSc2nc3cc([N+](=O)[O-])ccc3n2-c2ccccc2)n1 925272654 OVWADPMVRNNZKE-LBPRGKRZSA-N 439.453 4.022 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1317998277 GSUHZQQNHJUQDU-UHFFFAOYSA-N 440.500 4.124 5 20 IIBD Nc1c(C(=O)Nc2cccnc2OCc2ccccc2)cc(Br)cc1[N+](=O)[O-] 1322736346 LSMOJTYDDPCJDX-UHFFFAOYSA-N 443.257 4.166 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccn(-c2ccccc2C(F)(F)F)n1 1323798040 RHNYBVOCRSGFSN-UHFFFAOYSA-N 449.341 4.023 5 20 IIBD CC(C)N1C(=O)C[C@H](C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)[C@@H]1c1ccc(Cl)c(F)c1 1337293538 MHCAEEHILMGYSS-UWJYYQICSA-N 445.878 4.228 5 20 IIBD CCCN(C[C@H]1COc2ccccc2O1)C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] 1346198377 UXFODPWQZWJOQC-AWEZNQCLSA-N 432.498 4.018 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3cc(C(C)C)nn3CC)CC2)ccc1[N+](=O)[O-] 1357568505 POASJALRISWOCS-UHFFFAOYSA-N 430.505 4.159 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@H]3CCC=CO3)CCC2)cc1)c1cc(F)cc([N+](=O)[O-])c1 1790697753 PDBMRDPTHZRFRQ-HXUWFJFHSA-N 439.443 4.174 5 20 IIBD Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc([N+](=O)[O-])o2)c1Cl 1793277656 NLTLMBZYZWDESY-SSCFBFAFSA-N 443.887 4.115 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1sccc1Cl 1798974072 YUUZJQDIRNKTLK-MUJYYYPQSA-N 447.944 4.194 5 20 IIBD O=C(CCC1CCC1)N1CCCC2(CCN(C(=O)c3cccc(F)c3[N+](=O)[O-])CC2)C1 1805796577 UPUGOJYBYVCVGF-UHFFFAOYSA-N 431.508 4.159 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@H]2CCCCN2C(=O)C23CCC(CC2)CC3)CC1 1832386185 PNBGQQNGMHDUGT-ZIYFGUEUSA-N 443.544 4.392 5 20 IIBD Cc1cccc(Cl)c1C(=O)N1CCCC12CN(C(=O)c1c(F)ccc([N+](=O)[O-])c1C)C2 1845387416 GUEJRYHPSMJCDX-UHFFFAOYSA-N 445.878 4.135 5 20 IIBD Cc1cccc(C(=O)N2CCCC23CN(C(=O)c2c(F)ccc([N+](=O)[O-])c2C)C3)c1Cl 1846810155 YXYHFVNKWWPYTA-UHFFFAOYSA-N 445.878 4.135 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1OC(C)C 9055895 UQJTZDPGSZPXPO-GFCCVEGCSA-N 436.848 4.228 5 20 IIBD COc1ccc(Cl)cc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9459231 LAARIOBVNBYSTN-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD O=C(COc1ccc(C2SCCCS2)cc1)NCCNc1ccccc1[N+](=O)[O-] 15093665 UUQHLXJOPXSYMJ-UHFFFAOYSA-N 433.555 4.071 5 20 IIBD COc1ccc(C(NC(=O)CNc2ccc(F)c([N+](=O)[O-])c2)c2ccc(OC)cc2)cc1 15291496 LDOYATXAQRPZSU-UHFFFAOYSA-N 439.443 4.069 5 20 IIBD Cc1ccc(-c2nc(CC(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)cs2)cc1 17205609 NOTNVRLNHAFZEK-CQSZACIVSA-N 425.466 4.140 5 20 IIBD Cc1nc(-c2cccs2)sc1C(=O)O[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 17831150 VNRRNXFXDKMPOM-SNVBAGLBSA-N 435.458 4.411 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2C)cc1OC 18803180 BANWCILCDSEDHO-LBPRGKRZSA-N 436.848 4.148 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)cc2)c(C)c1[N+](=O)[O-] 20006429 BASWSILZZDIYQA-UHFFFAOYSA-N 432.402 4.405 5 20 IIBD C[C@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)N1CCC[C@H]1c1cccs1 22559836 DQWGLXHOMDOIEZ-YJBOKZPZSA-N 443.525 4.166 5 20 IIBD Cc1c(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cnn1-c1ccc(Cl)cc1 25774453 DJTRFOXPMJAXRK-LBPRGKRZSA-N 446.822 4.065 5 20 IIBD COc1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1NC(C)=O 26620061 VEWAAZTYKWCHEF-UHFFFAOYSA-N 426.473 4.050 5 20 IIBD O=C(c1ccc(Cl)cc1F)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 29763323 MFXRVLYPXYFKCJ-UHFFFAOYSA-N 431.773 4.369 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2-c2nc3ccccc3s2)ccc1O 32798080 ADEXMDGLTBELCL-UHFFFAOYSA-N 427.463 4.378 5 20 IIBD Cc1cccc(NC(=O)COc2ccc(CCNC(=O)c3cccc(C)c3[N+](=O)[O-])cc2)c1 65418400 GQHUKSAPUFGSIT-UHFFFAOYSA-N 447.491 4.202 5 20 IIBD O=C(NCc1cccc(NC(=O)C2CCCC2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 71982106 RSMZHBKFEQIKDY-UHFFFAOYSA-N 436.512 4.254 5 20 IIBD Cc1cc(Sc2nnc(N3C[C@@H](C)C[C@@H](C)C3)n2Cc2ccco2)ncc1[N+](=O)[O-] 301444484 QJKCHUQSHZLXPY-OKILXGFUSA-N 428.518 4.165 5 20 IIBD COc1ccc(-n2c(Sc3c(F)cc([N+](=O)[O-])cc3F)nnc2-c2cnccn2)cc1 301811114 XTDFIUAEDIFXHE-UHFFFAOYSA-N 442.407 4.071 5 20 IIBD O=C(c1ccccc1C(F)(F)F)N1CCC(Nc2nc3sccn3c2[N+](=O)[O-])CC1 302335190 ASVZKXHNVKJPGF-UHFFFAOYSA-N 439.419 4.040 5 20 IIBD CCCN(C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 426278002 UDMYGENAIVHZDK-BBWFWOEESA-N 429.439 4.349 5 20 IIBD COc1ccc(CN[C@H](C(=O)O)c2cccs2)cc1OCc1ccc([N+](=O)[O-])cc1 426786912 ZJRYKGUPYCZVTJ-FQEVSTJZSA-N 428.466 4.159 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](NCC[C@]1(O)C[C@H]2CC[C@H]1C2)c1ccccc1 427819154 QEYLEPDLUMLVAD-NXGXTLFNSA-N 443.931 4.459 5 20 IIBD CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H](c1cccc(F)c1)c1cnn(C)c1 429782789 WMMMFNCIHVTOIV-SFHVURJKSA-N 447.264 4.092 5 20 IIBD COc1ccccc1CN(Cc1cccs1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 431070487 YKJZWBUNIISKFQ-UHFFFAOYSA-N 446.550 4.240 5 20 IIBD C[C@H]1CC[S@](=O)CCN1C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 432459263 YFOVJGOSLLTYQJ-OIJAAMDRSA-N 438.958 4.383 5 20 IIBD COc1cc(C(=O)Nc2cc(C)ccc2-n2cc(C)cn2)c([N+](=O)[O-])cc1OC(F)F 435441277 DXPUULUYGUIFNG-UHFFFAOYSA-N 432.383 4.260 5 20 IIBD COCCCCN(C(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc(Br)cn1 439294244 IIOODUVJBLTMQV-UHFFFAOYSA-N 436.306 4.145 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(Oc3nccc(C)n3)cc2)cc1[N+](=O)[O-] 440832832 QKURYEOPBFONES-UHFFFAOYSA-N 440.481 4.366 5 20 IIBD CN1CCN(CCNCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1(C)C 441366604 NZAWBEGPHXUOSE-UHFFFAOYSA-N 432.952 4.156 5 20 IIBD Cc1cccc2nc(CNC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)n(C)c12 444252107 WMGOHJVBFGSQGG-UHFFFAOYSA-N 432.430 4.085 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)Cc1noc([C@@H](C)c2ccc([N+](=O)[O-])cc2F)n1 445328861 WQVFUCDIQOOLPB-NSHDSACASA-N 448.838 4.420 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(CSc3ncnc4sc(C)c(C)c34)n2)c1 445584874 SXCONABHUAXVNL-UHFFFAOYSA-N 443.510 4.491 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccc(C(=O)NC2CCCC2)cc1 445823898 JPVMFOSFPHTYKJ-UHFFFAOYSA-N 446.301 4.211 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1ccc(Oc2ccccc2)nc1 446130301 JKYHAHDRINQLNM-UHFFFAOYSA-N 442.269 4.404 5 20 IIBD CCCNC(=O)c1cccc(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])c1 447685588 MOSPJLPALLVEDA-UHFFFAOYSA-N 432.349 4.396 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1cccc(OC)c1)C[C@H]1CCCO1 462494045 XAXBUVUHZDRNMO-NZQKXSOJSA-N 426.513 4.380 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN([C@H](C)c2cccc(OC)c2)CC1 462983400 BVMSPKWFYSGXEJ-QUCCMNQESA-N 425.529 4.078 5 20 IIBD Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 464596447 DOAOZORSNNOVIE-QFIPXVFZSA-N 448.523 4.168 5 20 IIBD CO[C@@]1(C)C[C@H](NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1(C)C 465270420 PUTWDOQIBWAORM-PXNSSMCTSA-N 443.466 4.150 5 20 IIBD COc1cc(CCNC(=O)N2C[C@H](C)C[C@H]2c2ccccc2F)c([N+](=O)[O-])cc1OC 465604661 QKUFLVCOBWEVAB-KUHUBIRLSA-N 431.464 4.086 5 20 IIBD CCc1c(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cnn1-c1ccccc1 466672274 NUUDUBSUUZTVPF-UHFFFAOYSA-N 435.484 4.418 5 20 IIBD O=C(Nc1ccc(CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1)c1ccc(F)cc1 467447540 AEEVDCRSFMLDCW-UHFFFAOYSA-N 433.399 4.648 5 20 IIBD CCOc1ccc(-n2c(SCCn3cc([N+](=O)[O-])cn3)nnc2-c2ccccc2)cc1 470844595 JMJCXBXAKNRLNZ-UHFFFAOYSA-N 436.497 4.230 5 20 IIBD COC[C@H](NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1ccc(C)o1 471507068 KKMHOOCHHSYJLF-HNNXBMFYSA-N 439.255 4.106 5 20 IIBD Cc1ccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c(-c2nc(C3CC3)no2)c1 471617921 IIWWYKQIPFILGG-UHFFFAOYSA-N 430.424 4.269 5 20 IIBD CCOCCC1(CNC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)CCCC1 471844557 LOFPHEKIIWTFIG-UHFFFAOYSA-N 428.533 4.173 5 20 IIBD O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 472281487 ZURQDOXYOSUCOB-NRFANRHFSA-N 433.855 4.348 5 20 IIBD Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 478373783 RRFHADXFEAKPNG-VBKZILBWSA-N 434.500 4.480 5 20 IIBD CCCCn1ccnc1-c1cccc(NC(=O)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 479087527 AIUZVKHUGPTXMY-INIZCTEOSA-N 435.484 4.074 5 20 IIBD C[C@H](CNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(F)(F)F 479397361 RWEFXLXGSBVKKM-CQSZACIVSA-N 432.402 4.305 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(NC(=O)C2CCC2)c1 481806448 MDQJZUNBRJNCTA-UHFFFAOYSA-N 443.525 4.002 5 20 IIBD COC(=O)C[C@H](NC(=O)CSc1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 482139954 JGROGDWQCRJMRT-AWEZNQCLSA-N 442.415 4.126 5 20 IIBD Cc1ccccc1[C@H](CC(C)C)NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 485542144 JLBZGKNPXPKKSD-IBGZPJMESA-N 425.485 4.495 5 20 IIBD Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1C 485876123 NMGZGSRZGIANFG-UHFFFAOYSA-N 436.859 4.489 5 20 IIBD CSc1cccc(C(=O)N2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)c1[N+](=O)[O-] 486468339 PJWLCYVAUFVQAJ-CQSZACIVSA-N 446.504 4.130 5 20 IIBD CC(C)Oc1ccc(-c2nc(C(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)cs2)cc1 486992424 AMFTULFVVOPXQQ-UHFFFAOYSA-N 441.513 4.179 5 20 IIBD C[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2cccc(F)c2)no1 487184052 HWKGXJUNNBRALE-LLVKDONJSA-N 433.827 4.040 5 20 IIBD CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] 487834626 BOMVSZCPBXBFTQ-UHFFFAOYSA-N 431.514 4.043 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 488086968 FIIXJENHQVEZGD-KSSFIOAISA-N 445.903 4.047 5 20 IIBD CCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@H](c1cccnc1)c1ccc(F)c(C)c1 488887204 AOXPRNWEVPIGRW-NRFANRHFSA-N 437.427 4.418 5 20 IIBD C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1 489480224 HNQPWOYQTBTOMG-INIZCTEOSA-N 433.468 4.047 5 20 IIBD O=C(CN(Cc1cccnc1)c1ccccc1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 498153427 PMJYBVRPRJOWTD-HSZRJFAPSA-N 434.521 4.271 5 20 IIBD CC(C)N(CC(=O)OC(C)(C)C)C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 498829153 WVOPLJXJMJFWHZ-MRXNPFEDSA-N 442.516 4.355 5 20 IIBD CCOc1ccc(C(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)cc1[N+](=O)[O-] 499457920 OUWOUVQFQQEUMF-UHFFFAOYSA-N 430.464 4.322 5 20 IIBD COc1cc(CN(C)c2c(Br)cncc2[N+](=O)[O-])c(SC)cc1OC 500259625 BCIUGAIGVATVAF-UHFFFAOYSA-N 428.308 4.128 5 20 IIBD Cc1nc(CN(c2ccc(F)cc2)S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cs1 500663777 DLNOPQMLKXLOQI-UHFFFAOYSA-N 435.502 4.078 5 20 IIBD COc1cc([C@@H](C)NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCCC(C)C 501451698 JJSZCCQWPPIPGA-OAHLLOKOSA-N 444.484 4.291 5 20 IIBD CC[C@@H]1C[C@]1(NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1cccc(C)c1 501630824 WTEBYSYCAKTGAG-OPAMFIHVSA-N 437.525 4.238 5 20 IIBD CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1cc(-c3cccc([N+](=O)[O-])c3)[nH]n1)O[C@H](C)C2 502970948 QWWNSNJOTFKILQ-XVGQJIODSA-N 448.479 4.449 5 20 IIBD Cc1ccc(-c2nc(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)sc2C)s1 504834956 HEKFLCUSSJFOAR-UHFFFAOYSA-N 426.483 4.230 5 20 IIBD C[C@@H](CCc1ccc(Br)cc1)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 506962787 XHFBUENDODDAFV-LBPRGKRZSA-N 427.320 4.194 5 20 IIBD O=C(Nc1ccc(Br)cc1F)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 507937748 UDEVODGSVMQHBJ-UHFFFAOYSA-N 438.238 4.018 5 20 IIBD Cc1ccc2nc([C@H]3CCCN(C(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)C3)[nH]c2c1 508241242 KEAPDXLEBMVAED-SFHVURJKSA-N 433.512 4.400 5 20 IIBD CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)C1 508950906 RSOAAKHIKXETSA-BBRMVZONSA-N 430.530 4.250 5 20 IIBD COc1cc(CCNC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)c([N+](=O)[O-])cc1OC 514712434 JUQBOOYKLHXJCY-UHFFFAOYSA-N 438.436 4.047 5 20 IIBD O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCc1ccccc1[N+](=O)[O-] 515485337 SHMVIULFRBUSJN-FQEVSTJZSA-N 437.883 4.426 5 20 IIBD O=C(Nc1ccc(-n2ncc3c(O)ncnc32)cc1)c1cc2ccccc2c2cccnc12 519109441 RYKBDOWNEFFLQC-UHFFFAOYSA-N 432.443 4.475 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CC(=O)N(C)c4ccccc43)cc2[N+](=O)[O-])n1 531132338 STPPRUQKBXKECG-UHFFFAOYSA-N 440.506 4.134 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cc(C)c(C)o3)cc2)cc1[N+](=O)[O-] 532261298 PXZMZLWIBXZXNU-UHFFFAOYSA-N 429.454 4.166 5 20 IIBD O=C(CO)Nc1cccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c1 532887839 DHNOPHQOCGIWPS-UHFFFAOYSA-N 446.257 4.160 5 20 IIBD CCN(CCCO)C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 534547833 MABFYVDLDKFLNY-VKAVYKQESA-N 425.510 4.366 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 535435068 GSMPNFUMIYDFMT-UHFFFAOYSA-N 436.443 4.028 5 20 IIBD CCCOc1c(Cl)cc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1OC 536661202 MZFXSZQHGGBESZ-UHFFFAOYSA-N 447.919 4.004 5 20 IIBD O=[N+]([O-])c1cc(CN2CCN(C[C@@H]3CCOC3)CC2)ccc1Oc1ccccc1Cl 537623106 WCICPVSVABPRMT-SFHVURJKSA-N 431.920 4.195 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(OCC2CC2)c(F)c1 538227168 GTMNCHGKAJGRJG-ZIAGYGMSSA-N 431.464 4.209 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 540239347 HFFYJWWAVKTHFY-ADLMAVQZSA-N 432.274 4.345 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)c([N+](=O)[O-])c1 540362190 FBPLPBBOJPKQPD-QWHCGFSZSA-N 441.406 4.222 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1nc2ccc(F)cc2n1C 540722670 OTVJTRLZOHELNO-UHFFFAOYSA-N 430.505 4.485 5 20 IIBD CC[C@@H]1Oc2cc([C@H](C)NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])ccc2NC1=O 541262530 MONAHZGHLKGWFG-ZBEGNZNMSA-N 449.916 4.327 5 20 IIBD C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ncc(-c2ccccc2)o1 543501465 USHZDIIKMYQJLI-GFCCVEGCSA-N 445.273 4.302 5 20 IIBD O=[N+]([O-])c1ccccc1Cc1noc(CSc2nncn2-c2cccc(Cl)c2)n1 545529500 SCJNDAYLQIMKPE-UHFFFAOYSA-N 428.861 4.095 5 20 IIBD Cc1cc(NC(=O)N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn34)C2)ccc1[N+](=O)[O-] 546036674 DIIYUSBYRYBKRJ-ZDUSSCGKSA-N 448.405 4.376 5 20 IIBD CCOc1ccc(Br)cc1-c1noc(-c2cc(C(=O)OC)cc([N+](=O)[O-])c2)n1 546340174 NEIHFJNOMBAPMX-UHFFFAOYSA-N 448.229 4.260 5 20 IIBD CC(C)(C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1)c1ccc([N+](=O)[O-])cc1F 547234568 QPMVOUCKWPHTOF-CYBMUJFWSA-N 437.418 4.008 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c1 549208712 QZJDDZQGWQFWDW-UHFFFAOYSA-N 427.438 4.141 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(Br)ccc1-n1cccn1 554876749 DKLVLWYYPZUDJD-UHFFFAOYSA-N 444.289 4.249 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cccc(Br)c2Cl)cc([N+](=O)[O-])c1 554995530 HSVHVOYALMQDRD-UHFFFAOYSA-N 427.638 4.440 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 556451156 NNPFXMIMBQAHIP-KSSFIOAISA-N 437.265 4.455 5 20 IIBD Cc1cc(I)ccc1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 558731973 FHOMWTAUDFLLCO-UHFFFAOYSA-N 439.253 4.214 5 20 IIBD Cc1c(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)nnn1Cc1ccccc1F 558908349 XVTQNVGPXUWDOP-UHFFFAOYSA-N 438.444 4.058 5 20 IIBD CCS[C@@H](C)c1noc(CN(C)C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)n1 559577132 AXODGWNGCMMKGN-JTQLQIEISA-N 443.323 4.135 5 20 IIBD O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 560678677 YIGMIYJJVZHHSY-HXUWFJFHSA-N 433.464 4.206 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl 564445443 FWYSXMLJRGZGQW-ZDUSSCGKSA-N 428.272 4.025 5 20 IIBD O=C(N[C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 569483718 BIWLUFGSAVJXQI-HOCLYGCPSA-N 436.386 4.451 5 20 IIBD Cc1ccc(NC(=O)N2CCN(C(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)CC2)cc1Cl 573249608 QADGDZCQKJZSOF-AWEZNQCLSA-N 448.882 4.176 5 20 IIBD COc1ccc(C[C@](C)(O)CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1OC 576197813 VDPJJHFMSSUHKE-DQEYMECFSA-N 436.508 4.285 5 20 IIBD CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 577753711 CASKBSUTCNMQPM-DIFFPNOSSA-N 425.254 4.311 5 20 IIBD C[C@H](CC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)c1ccc(C(F)(F)F)cc1 579753978 DOUGOUWQGCIQST-OAHLLOKOSA-N 449.429 4.092 5 20 IIBD Cc1ccc2nc(COc3ccccc3-c3nc(-c4ccc(N)c([N+](=O)[O-])c4)no3)cn2c1 583959888 XKMCHDAIUCSOEY-UHFFFAOYSA-N 442.435 4.429 5 20 IIBD COc1cc(OC)c(C2CCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)CC2)c(OC)c1 603492817 DJCAZCKJJGVMBD-UHFFFAOYSA-N 446.525 4.119 5 20 IIBD CC(C)N(Cc1ccc(F)cc1)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 603524691 CXDHDFYMNNXPOZ-UHFFFAOYSA-N 429.477 4.064 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(NC(=O)c2cccnc2)c1 603594909 UDXXAEZGPAWXKM-HNNXBMFYSA-N 436.493 4.039 5 20 IIBD Cc1nc2ccccc2n1CCCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 603785111 TUZGZSNABOSACI-UHFFFAOYSA-N 436.390 4.014 5 20 IIBD COC(=O)[C@H](C)NC(=O)c1ccc(NCC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 603838312 DGJOYABUJRKQHJ-KRWDZBQOSA-N 447.491 4.130 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NCc2cccc(OCc3ccccn3)c2)c([N+](=O)[O-])c1 604473121 DRZIWFVJHDBAGX-UHFFFAOYSA-N 443.463 4.145 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1 608877796 WVTSHEMFXIDQCM-YJYMSZOUSA-N 443.912 4.334 5 20 IIBD Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 608938144 VECUFMNWUVOAPM-UHFFFAOYSA-N 433.420 4.179 5 20 IIBD CCC[C@H](Cc1ccccc1)N(CCC)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 608952673 AYDJJLJRBAOGOM-LJQANCHMSA-N 432.542 4.262 5 20 IIBD O=C(Nc1ccccc1)Nc1cccc2c1CCN(C(=O)COc1ccccc1[N+](=O)[O-])C2 609462025 KNIBFFRBSKVVTG-UHFFFAOYSA-N 446.463 4.203 5 20 IIBD Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609761833 BOFAVWLREKMJHL-UHFFFAOYSA-N 448.479 4.281 5 20 IIBD CC(C)[C@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 609768512 PTMSKIGSOXVERL-HXUWFJFHSA-N 431.514 4.046 5 20 IIBD O=C(CCCCc1nc2ccccc2s1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 609838107 MYFFXWHGPWMRRO-HNNXBMFYSA-N 425.514 4.025 5 20 IIBD CS(=O)(=O)[C@H]1CCC[C@H](NCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 610137669 VUISACOWQIXORN-WMZOPIPTSA-N 438.933 4.486 5 20 IIBD COc1ccc(CNC(=O)Nc2ccc(C)c(OCC3CCOCC3)c2)cc1[N+](=O)[O-] 610163325 JRSQMLLONJPSMP-UHFFFAOYSA-N 429.473 4.039 5 20 IIBD COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc([N+](=O)[O-])c1OC 610168807 JKLIKHUUXXWLSH-UHFFFAOYSA-N 436.346 4.069 5 20 IIBD COc1cc(C(=O)NCC(C)(C)c2cccc(Br)c2)cc([N+](=O)[O-])c1OC 610173897 YGBKLZYSAGLVAV-UHFFFAOYSA-N 437.290 4.082 5 20 IIBD CC(C)[C@H](NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)C(=O)N1CCCC1 610860717 GTBVFEJBQWGPDS-FQEVSTJZSA-N 427.526 4.123 5 20 IIBD O=C1COc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)cc2N1 612444757 NPNSYUZJIWDAPF-UHFFFAOYSA-N 427.482 4.460 5 20 IIBD CN(C[C@@H]1CCCO[C@H]1c1ccccc1)c1cc(CN2CCOCC2)ccc1[N+](=O)[O-] 619153449 RRZKQCMQKFHKKK-URXFXBBRSA-N 425.529 4.031 5 20 IIBD COc1cccc(Oc2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3OC)cc2)c1 619466926 DSIGFMOQJXIVLA-UHFFFAOYSA-N 430.438 4.205 5 20 IIBD O=C(O[C@@H](C(=O)N1CCCCC1)c1ccccc1)c1cc([N+](=O)[O-])ccc1Br 725985941 ZSBXQGGCDIJZDA-GOSISDBHSA-N 447.285 4.268 5 20 IIBD Cc1nn(CCC(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)c(C)c1[N+](=O)[O-] 726500386 VAXKUDWWUJEUDZ-UHFFFAOYSA-N 441.875 4.343 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1ccccc1C(=O)Nc1ccc(Cl)cn1 726529724 JSWFEHICAPCZEU-UHFFFAOYSA-N 444.806 4.052 5 20 IIBD C[C@@H](OC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1cccc(F)c1 730035322 XSJOSYYNXYEOBD-LLVKDONJSA-N 443.353 4.125 5 20 IIBD CC(C)COc1ccc(C(C)(C)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 730503152 MQYQLXDSKRZCQZ-UHFFFAOYSA-N 441.528 4.131 5 20 IIBD COc1ccc2cc(CN(C)C(=O)COC(=O)c3c(Cl)cccc3[N+](=O)[O-])ccc2c1 730645994 WJZZUOHIQIAKFP-UHFFFAOYSA-N 442.855 4.225 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1ccc(N2CCCCC2)cc1 731781056 TZHGQGDKYLLRIF-UHFFFAOYSA-N 440.319 4.148 5 20 IIBD O=C(COC(=O)c1cc(F)cc([N+](=O)[O-])c1)Nc1cccc(CSc2ccccn2)c1 733494181 MQFPCZAYKRKCFP-UHFFFAOYSA-N 441.440 4.217 5 20 IIBD CS(=O)(=O)Nc1cc2ccccc2cc1C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-] 734885480 BJQKFJAILBTENV-UHFFFAOYSA-N 434.857 4.130 5 20 IIBD Cc1cc(-c2noc([C@@H](C)OC(=O)c3cc(O)nc4ccc([N+](=O)[O-])cc34)n2)ccc1F 735353496 IFLQBABOGVECOY-LLVKDONJSA-N 438.371 4.264 5 20 IIBD C[C@@H](OC(=O)CNc1cccc(C(F)(F)F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 735934524 UUONJGKSCGWWDK-LLVKDONJSA-N 436.346 4.380 5 20 IIBD Cn1c(COC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)nc2ccccc21 736863559 MLPVGBBPZNDOBR-UHFFFAOYSA-N 446.250 4.331 5 20 IIBD C[C@@H](Cc1ccccc1F)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 738759559 GHGKYXFAGKEICS-NSHDSACASA-N 428.338 4.113 5 20 IIBD Cc1cc(NC(=O)COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)ccc1Br 740392039 QSPBDYQKLIKQST-UHFFFAOYSA-N 435.274 4.125 5 20 IIBD Cc1ccc(-c2nn(CN3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)c(=S)n2C)cc1 743390012 FWNFRAYHPDYLED-UHFFFAOYSA-N 439.541 4.336 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 747124671 QBWNSIJIMCUNOZ-NSHDSACASA-N 426.347 4.115 5 20 IIBD Cc1c(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748627211 SFZPBJZFMBQEOG-UHFFFAOYSA-N 440.456 4.179 5 20 IIBD O=C1CCCN1CC[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc21 751338085 UTRVXXINPGPJFE-CQSZACIVSA-N 447.413 4.370 5 20 IIBD C[C@H]1C[C@H](CCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CN1Cc1ccccc1 753715085 AHCKPJWSRKYKKC-FPOVZHCZSA-N 436.556 4.226 5 20 IIBD C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 754060036 MECCCDZLQFWWGQ-LBKOFNPBSA-N 441.440 4.106 5 20 IIBD CCOc1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2Br)c1OC(F)F 758658420 FOBKMUDOFHGHOO-UHFFFAOYSA-N 445.216 4.287 5 20 IIBD CCOc1cc(C(=O)Nc2cnc(Cl)c(Br)c2C)c([N+](=O)[O-])cc1OC 759281548 GLVLQKLVYKPZSW-UHFFFAOYSA-N 444.669 4.374 5 20 IIBD C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)O[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 759852144 LPVUYGCTHHJLFS-VXGBXAGGSA-N 436.823 4.167 5 20 IIBD CN(C)c1ccc(N(Cc2ccc[nH]2)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 760189913 PTFMJXJDNQKKTR-UHFFFAOYSA-N 447.539 4.439 5 20 IIBD C[C@H](C(=O)NCc1ccc(CCNC(=O)OC(C)(C)C)cc1)c1cccc([N+](=O)[O-])c1 761677254 CLLJQYCBHSOIIT-INIZCTEOSA-N 427.501 4.082 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)c1 762308052 IBEMNYOVQNMRCZ-UHFFFAOYSA-N 444.201 4.388 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(CC2CCCCC2)CC1 764021917 OVDORKSQKRPMDT-UHFFFAOYSA-N 435.590 4.108 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Oc2ccc(NC(=O)c3cccs3)cc2)c1C 765151593 LQHGPOLKZKXBTF-UHFFFAOYSA-N 432.479 4.293 5 20 IIBD Cc1cccc(-c2cncc(C(=O)OCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])c2)c1 768674231 LFJXNPNLYVBTJB-UHFFFAOYSA-N 425.828 4.414 5 20 IIBD CN(Cc1c(Br)cccc1[N+](=O)[O-])[C@@H](c1cccc(F)c1)c1cnn(C)c1 769231737 DEZBDDLCBPACSD-IBGZPJMESA-N 433.281 4.451 5 20 IIBD Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 770329952 DVZFBIRRCUCFPT-UHFFFAOYSA-N 447.264 4.480 5 20 IIBD O=[N+]([O-])c1cccc([C@@H](O)CS(=O)(=O)Cc2nc(-c3ccccc3Cl)cs2)c1 774729845 MUBUJWAITSSTOW-KRWDZBQOSA-N 438.914 4.020 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)C1CCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 777954916 FAHFEYPTUKEPLQ-MRXNPFEDSA-N 429.521 4.041 5 20 IIBD Cc1ccc(C(=O)O[C@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)cc1NC(=O)c1ccco1 778775358 BRSCOMOJTNIETA-IBGZPJMESA-N 435.436 4.184 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)[C@H](c2ccccc2)N(C)C)c2ccccc2)c([N+](=O)[O-])c1 780092375 NAAIOPVKOWRNQS-GOTSBHOMSA-N 447.491 4.429 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 781343733 QULWMLRUVNTTPE-OAHLLOKOSA-N 446.529 4.238 5 20 IIBD Cc1ccc(CC(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1Br 782466967 MZRPHSUKHCHLPB-UHFFFAOYSA-N 432.230 4.002 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Br)N1CCOc2ccc(Br)cc21 786659325 GXDQNZLZRPDNDU-UHFFFAOYSA-N 442.063 4.159 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@@H]1C[C@H](O)c1ccco1 787338175 CGMLKLRCGDMWJG-ZBFHGGJFSA-N 427.379 4.004 5 20 IIBD Cc1cc(C(=O)Oc2ccc(Oc3ncc(Br)cn3)cc2)ccc1[N+](=O)[O-] 789728991 XENHDKRSNLATRA-UHFFFAOYSA-N 430.214 4.467 5 20 IIBD Cc1ccc(CN(C)C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)nc1 789867837 QJBRHHZZYMLVRN-UHFFFAOYSA-N 438.871 4.476 5 20 IIBD Cc1nc(Cl)ccc1NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 790251997 KWXJFMOHKGSAHE-UHFFFAOYSA-N 446.872 4.005 5 20 IIBD COc1cc(-c2noc(COC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])n2)ccc1C 790739956 IPOWGMVODXACBV-UHFFFAOYSA-N 435.795 4.040 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCc1nc([C@@H](C)OCC(C)C)no1 792472852 CFPBMHUMGJHXRJ-LLVKDONJSA-N 442.266 4.139 5 20 IIBD CCN(Cc1ccc(OC)c(OC)c1)C(=O)COc1cc(Cl)c(Cl)cc1[N+](=O)[O-] 794495660 DPPAUICBRSTLQI-UHFFFAOYSA-N 443.283 4.346 5 20 IIBD CC[C@@](C)(NC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])c1nc(C)cs1 796624024 BNLJQPSGIQYBHI-QGZVFWFLSA-N 441.351 4.000 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Oc3ccc4c(c3)CC(=O)N4)cc2[N+](=O)[O-])n1 797348299 GXUXAIMAHGLMJO-UHFFFAOYSA-N 427.463 4.225 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)OC3CCC(N4CCCC4=O)CC3)cc2[N+](=O)[O-])C1 799679188 ZZDFMOXUPKIAJM-FWYSVENZSA-N 443.544 4.168 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 804779132 SEDSGSIENFTKNK-CQSZACIVSA-N 428.432 4.401 5 20 IIBD CCC[C@@]1(CO)CCN([C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C1 808797210 ZGJYGFDXXCHCLQ-IFMALSPDSA-N 431.920 4.413 5 20 IIBD COc1cccc(C(=O)O[C@H](C)c2ccc(S[C@@H]3CCCCNC3=O)cc2)c1[N+](=O)[O-] 809045207 FUNVJTLDYYOKGT-AUUYWEPGSA-N 444.509 4.282 5 20 IIBD Cc1nccn1-c1ccc(-c2noc(-c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)n2)cn1 809374055 HYUYNVFNBDUEGG-UHFFFAOYSA-N 445.483 4.437 5 20 IIBD C[C@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCCOC2=O)cc1 814350652 SDSINORKNAIYFT-LSDHHAIUSA-N 429.498 4.300 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(=O)NCCC1=CCCCC1 823252728 OFMOOFZAHYSBBN-QGZVFWFLSA-N 429.517 4.137 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc(C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 914797646 BINVWTWOGXPDBX-UHFFFAOYSA-N 440.412 4.349 5 20 IIBD COc1cc(C(=O)NC[C@@H](O)c2ccco2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 915076054 LZWGTHQIMGTWPF-OAHLLOKOSA-N 432.816 4.106 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NCc2ccccc2CN2C[C@@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] 917077647 OGGKLWXWAAFLNN-IYBDPMFKSA-N 442.516 4.394 5 20 IIBD C[C@H](c1cc2ccccc2o1)N(C)C(=O)COC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 918824314 FHBJZPHICNCXOV-CQSZACIVSA-N 437.452 4.292 5 20 IIBD CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)[C@@H](C)c1cc2ccccc2o1 920010070 YUFBMUCQZRPEEI-GOEBONIOSA-N 439.443 4.443 5 20 IIBD C[C@@H](OC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1Br 920511011 FNZXFIBEHOGBPV-SNVBAGLBSA-N 441.665 4.045 5 20 IIBD Cc1cccc(NC[C@H]2CCCN2C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)n1 1318714537 OVLGGBDODDXVHA-HXUWFJFHSA-N 437.544 4.251 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(-n3cccc3)ccc2F)c(Br)c1 1319360138 WVCIPQJYTBJKTK-UHFFFAOYSA-N 440.250 4.088 5 20 IIBD COc1cc(CNc2ccc(-n3cncn3)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 1319489759 ONCJTIWUJQWWBL-UHFFFAOYSA-N 431.452 4.375 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CNC2CCN([C@@H]3CCCC[C@H]3O)CC2)o1 1319840232 WOACXYWQMBQWDI-TZIWHRDSSA-N 433.936 4.366 5 20 IIBD COc1ccc(CSCC(=O)Nc2cccc(OC)c2Br)cc1[N+](=O)[O-] 1320337158 NGIHEUUKUMOABZ-UHFFFAOYSA-N 441.303 4.246 5 20 IIBD O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 1321612765 VLJSOQCVCIROBR-HXUWFJFHSA-N 431.496 4.221 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 1322162631 PWJKZPVPSZMAQD-UHFFFAOYSA-N 439.512 4.203 5 20 IIBD O=c1c2ccccc2c(-c2nnc(-c3cc(F)cc([N+](=O)[O-])c3)o2)nn1Cc1ccccc1 1327797549 FPUSHZWOKMJHQZ-UHFFFAOYSA-N 443.394 4.209 5 20 IIBD COc1ccc([C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])c2ccc(OC)cc2OC)cc1 1338823518 ZZAVIRNAFOAEJF-XMMPIXPASA-N 436.464 4.069 5 20 IIBD O=[N+]([O-])c1ccc(/C=C/c2nnc(CN3CCN(Cc4ccccc4Cl)CC3)o2)cc1 1341691698 ODESQTZDFMAZBI-JXMROGBWSA-N 439.903 4.119 5 20 IIBD CCOc1ccccc1C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1 1790241038 XPCBSRRQMXOJRR-UHFFFAOYSA-N 448.479 4.383 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3nc[nH]c3[N+](=O)[O-])CCC2)cc1)c1ccc(Cl)cc1 1790296534 QQCJUYVQSULYSR-UHFFFAOYSA-N 439.859 4.033 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cc(O)cc([N+](=O)[O-])c4)cc3)CCC2)cn1C 1790755928 FAOUNEQUJDOOLL-UHFFFAOYSA-N 448.479 4.009 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C2(NC(=O)C(C)(C)F)CCC2)cc1 1790794460 TUBOQTNEOFSDQY-UHFFFAOYSA-N 442.491 4.157 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3cccc(F)c3[N+](=O)[O-])CCC2)cc1)c1cc(F)c[nH]1 1791473845 IVKPWBOJABMHLQ-UHFFFAOYSA-N 440.406 4.263 5 20 IIBD COCCCC(=O)NC1(c2ccc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])cc2)CCC1 1792315342 DLSQQSPOTWLYIS-NTEUORMPSA-N 437.496 4.169 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=CCCC1)c1cc2cc([N+](=O)[O-])ccc2s1 1795425147 HIFTVBXYVIGPSL-BJWYYQGGSA-N 425.510 4.172 5 20 IIBD Cc1cc(C)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C3)c(C)c1 1803568832 SIWVTCHJTKEQFY-DWOGDCJDSA-N 447.535 4.485 5 20 IIBD Cc1cc(C(=O)N2CCCC3(CCN(C(=O)c4cc(F)cc([N+](=O)[O-])c4)CC3)C2)c(C)o1 1808258493 HKCXSPNTHVLJOI-UHFFFAOYSA-N 443.475 4.102 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C3CC3)cc2)[nH]n1)c1ccc([N+](=O)[O-])[nH]1 1820367394 OUWZAHYXYOUOMK-IBGZPJMESA-N 448.483 4.143 5 20 IIBD CC(C)/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1832513014 YEHNBTYOENLPSM-IRUYWQDXSA-N 431.508 4.179 5 20 IIBD Cc1c(C(=O)N2CCCC23CN(C(=O)/C=C/C2CCCC2)C3)cc(Cl)cc1[N+](=O)[O-] 1845499892 UQMIBZRYSXJHCG-BQYQJAHWSA-N 431.920 4.120 5 20 IIBD O=C(COC(=O)c1ccc2ccccc2c1O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 10493311 YRCCHHDQHNHCAR-UHFFFAOYSA-N 434.326 4.268 5 20 IIBD O=C(NCCCc1nc2ccccc2[nH]1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 11485770 WTARHMSZTMUTEA-UHFFFAOYSA-N 429.480 4.446 5 20 IIBD C[C@@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)Nc1ccccc1Cl 17044925 RJRBGUJNLZSBSI-CQSZACIVSA-N 431.876 4.035 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 19161525 RHDZGBZWPRTIBP-UHFFFAOYSA-N 437.905 4.065 5 20 IIBD CC[C@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 23156620 BXIOACTWESOHRW-SFHVURJKSA-N 431.514 4.109 5 20 IIBD NC(=O)COc1ccc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1 29296985 VKYUVDAULDZJBV-UHFFFAOYSA-N 441.827 4.157 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1nc2ccccc2s1 29677728 FVBZNBYDWBFDDA-UHFFFAOYSA-N 439.419 4.135 5 20 IIBD CCOc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2CC)c([N+](=O)[O-])c1 36859565 FARWIAJHZAMVFF-UHFFFAOYSA-N 433.515 4.064 5 20 IIBD CC(C)(NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 78872069 MXPGCILVBIAMSP-UHFFFAOYSA-N 444.702 4.336 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1ccc(Cl)nc1Cl)c1ccccc1[N+](=O)[O-] 109581179 GILRSEZAWRCBPM-ZDUSSCGKSA-N 426.256 4.109 5 20 IIBD NC(=O)c1cccc(CCNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c1 110470985 DNKVBHPXQXLGIZ-UHFFFAOYSA-N 439.855 4.112 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 111040888 QMZXNJOPXSGGRC-UHFFFAOYSA-N 439.491 4.326 5 20 IIBD CCOc1cc(N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)ccc1[N+](=O)[O-] 301508337 HQUQZMPFDJEFPE-UHFFFAOYSA-N 449.305 4.006 5 20 IIBD Cc1nc(Sc2nnc(CSc3nc4ccccc4s3)n2C)ccc1[N+](=O)[O-] 301663063 VFIPTZZGHDAZDW-UHFFFAOYSA-N 430.540 4.480 5 20 IIBD Cc1nc(CNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)ccc1C(=O)O 426664792 GZQKOEHNOKIJDP-UHFFFAOYSA-N 443.463 4.139 5 20 IIBD CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H](c1cccc(F)c1)c1cnn(C)c1 431511130 WQSZYKXFIURVDQ-GOSISDBHSA-N 447.264 4.092 5 20 IIBD Cc1ccccc1[C@@H](NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C(C)(C)C 431605331 BNZFXWGSKPWYPA-OAQYLSRUSA-N 438.528 4.158 5 20 IIBD Cc1c(NC(=O)N[C@H]2CCCn3nc(C(C)C)nc32)cc(Br)cc1[N+](=O)[O-] 435326989 FQBOGICWEKUYEN-LBPRGKRZSA-N 437.298 4.037 5 20 IIBD CCC(CC)(NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 435723182 QRUDKNXPJNMNKU-UHFFFAOYSA-N 443.887 4.347 5 20 IIBD O=C(N[C@H](c1cccc(F)c1)C1CCCC1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 435804686 TZILNFYXQXYBCW-QFIPXVFZSA-N 439.443 4.049 5 20 IIBD Cc1ccc(NC(=O)N(C)C)cc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 437922931 VVACILRMJCCWHW-UHFFFAOYSA-N 428.492 4.195 5 20 IIBD CC(C)(CO)[C@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccccc1 438178623 NBRQXXWPJKCALD-QGZVFWFLSA-N 440.418 4.068 5 20 IIBD COc1cc(C(=O)N2CC[C@@H](O)C(C)(C)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 438470201 YPLCTZPYRRVNRT-LJQANCHMSA-N 434.876 4.282 5 20 IIBD O=C(CCNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])NC1CCCCC1 440698090 XAZJJZRPFXJHEE-UHFFFAOYSA-N 427.526 4.315 5 20 IIBD CC(C)(C)c1nnc(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)s1 444230895 AHLKFEVSPMZFQF-UHFFFAOYSA-N 428.464 4.039 5 20 IIBD Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(Oc2nc(C(C)(C)C)ns2)c(Cl)c1 444530312 XKMKOIRNGJJUHE-UHFFFAOYSA-N 436.881 4.175 5 20 IIBD CCOC(=O)c1sc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)nc1C 444603514 ULURRWXVLDHQEY-UHFFFAOYSA-N 425.441 4.014 5 20 IIBD Cc1noc(C)c1CSc1ccccc1C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444642358 WQQKAFPEEVWPET-UHFFFAOYSA-N 437.481 4.298 5 20 IIBD O=C(Cc1noc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1)Nc1ccccc1F 445307091 GFRYBWBGHYYQBL-UHFFFAOYSA-N 425.401 4.089 5 20 IIBD O=C(N1CCc2sccc2C1)N1CCC[C@H](c2nc(-c3ccc([N+](=O)[O-])s3)no2)C1 445467637 BHXGAUJSDBOVRH-ZDUSSCGKSA-N 445.526 4.126 5 20 IIBD COCc1c(-c2nc(Cc3cc(OC)cc(OC)c3[N+](=O)[O-])no2)oc2ccccc12 445821797 ZVBXRFUGHXWFSH-UHFFFAOYSA-N 425.397 4.145 5 20 IIBD CCN(CC)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccsc1 445849832 RIKKOPOXYVSWIA-KRWDZBQOSA-N 440.363 4.161 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 460170678 ZFYYEWJOJASNJX-UHFFFAOYSA-N 426.476 4.366 5 20 IIBD COc1ccc(-c2ccc(CNC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)cc2)cc1 460559786 MXNSKBZPBMEAOO-UHFFFAOYSA-N 428.448 4.386 5 20 IIBD CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1ccc([N+](=O)[O-])cc1Br 460667640 HKOWLLRQYMIEFW-UHFFFAOYSA-N 434.290 4.075 5 20 IIBD COc1ccc(CN2CC[C@@](CO)(c3ccccc3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 463037643 UTYWKQDTWJDNSA-AREMUKBSSA-N 448.519 4.318 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@H](C)c2nccs2)CC1 464345341 YJUIQFXVIHGEMQ-OAHLLOKOSA-N 434.587 4.318 5 20 IIBD C[C@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H](OC1CCOCC1)c1ccccc1 468125731 HDBWTTQGNHHNBD-YCRPNKLZSA-N 447.919 4.373 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC(C)(C)c1c(Cl)cccc1Cl 469132602 NTPWTHUFFDGEGH-CQSZACIVSA-N 442.347 4.228 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C1CCN(c2ccc3cccc(O)c3n2)CC1 469290042 PRGMRQWTWCBJDN-UHFFFAOYSA-N 440.887 4.035 5 20 IIBD COc1ccc(CCC(=O)N2CCCN(C/C(C)=C\c3cccc([N+](=O)[O-])c3)CC2)cc1 470181550 DUJSKMKGFTWQDI-JZJYNLBNSA-N 437.540 4.174 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CSc2ccc(Br)cc21 470511936 ALDPFNQNXABHSE-MRXNPFEDSA-N 432.299 4.344 5 20 IIBD CCOc1cc(CNC(C)(C)CF)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 472163385 YZGZNGYBVOZPIT-UHFFFAOYSA-N 434.464 4.277 5 20 IIBD C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C2CC2)O1 473338280 XOUIWOAYCHXRPF-RBZFPXEDSA-N 443.887 4.140 5 20 IIBD Cc1ccc(F)cc1-c1nnc(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)s1 473403165 FPJUHFHXXRFENU-UHFFFAOYSA-N 439.428 4.127 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-] 474482063 ZJEDKFZFKQSIMF-QGZVFWFLSA-N 433.464 4.303 5 20 IIBD COC(=O)c1ccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC 478085397 WRFUDDCBDYCFMB-UHFFFAOYSA-N 444.387 4.140 5 20 IIBD Cn1cc(CN[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 478272084 IKFFBTATBXJYIR-INIZCTEOSA-N 429.883 4.156 5 20 IIBD Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)cc2)n1 479795135 VCDKEXUQCHGCHF-KRWDZBQOSA-N 444.495 4.289 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 480223387 BZORTVIKXBUVCC-MRVPVSSYSA-N 449.227 4.224 5 20 IIBD C[C@H]1CN(Cc2ccccc2NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 481639205 JWWBTGBFGKFSST-HOTGVXAUSA-N 446.935 4.222 5 20 IIBD O=C(N=c1cc[nH]cc1)c1ccc(CNc2ccc([N+](=O)[O-])cc2Br)cc1 484848352 PJPACLBZZJHPFY-UHFFFAOYSA-N 427.258 4.039 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CSc1nnc(N2CCCCC2)n1Cc1ccco1 485374259 LPNSOABYRZOJAY-UHFFFAOYSA-N 429.502 4.119 5 20 IIBD COC(=O)c1cc(NC(=O)[C@H](C)c2ccc(Br)s2)c(C)c([N+](=O)[O-])c1 485984351 RSBWGWAYABUJAJ-SECBINFHSA-N 427.276 4.256 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(C[S@](=O)Cc3ccn(-c4ccc(F)cc4F)n3)co2)cc1 486025311 ZLFBMAUTCQHEMZ-WJOKGBTCSA-N 444.419 4.163 5 20 IIBD CC[C@@H](NC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)c1cc(F)cc(Br)c1 486160674 CJPBBDYWYNNSDX-OAHLLOKOSA-N 440.269 4.456 5 20 IIBD Cn1c([C@@H]2CCCN2C(=O)c2sc(Br)cc2[N+](=O)[O-])nc2ccccc21 486176610 IESBSKBFUWNQGV-LBPRGKRZSA-N 435.303 4.283 5 20 IIBD CSc1cccc(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)c1[N+](=O)[O-] 486230311 RWNSWJLPTPVYHW-CYBMUJFWSA-N 436.331 4.088 5 20 IIBD Cc1ccc(Sc2ncccc2C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(C)c1 487100654 OKSZXPAQYNJFNM-UHFFFAOYSA-N 437.525 4.432 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1cc2c(cc1OC(F)F)OCO2 489609148 YWVIHNXMGILGGZ-UHFFFAOYSA-N 440.424 4.309 5 20 IIBD C[C@H](c1nc(-c2ccccc2)no1)N1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 493177520 CNCBUCCQYWTYTP-OAHLLOKOSA-N 427.892 4.177 5 20 IIBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)[C@H]1C[C@@H]1c1cccc(Br)c1 494066287 NUATXIGOBAHECW-KGLIPLIRSA-N 433.258 4.261 5 20 IIBD CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCc1ccc([N+](=O)[O-])cc1 497427532 FUGJYQQRDHAWST-SFHVURJKSA-N 438.311 4.363 5 20 IIBD O=C(Nc1ccccc1F)N1CCC[C@@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 497580430 BUMLZAUVPFQVJQ-QGZVFWFLSA-N 440.475 4.169 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(CO[C@H]2CCC[C@@H](C)C2)c1 499165710 AXELSFKAOSUNMI-JLHGSKIFSA-N 439.512 4.447 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)ccc1S(C)(=O)=O 500308075 WDEJZCNMXGHQJI-UHFFFAOYSA-N 426.450 4.351 5 20 IIBD NC(=O)c1ccc(SCC(=O)N[C@@H](CCc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 502996270 YBXCBDBYEUBHKA-FQEVSTJZSA-N 449.532 4.276 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1 503399024 JNMSWPYOSHNLQT-HNNXBMFYSA-N 445.541 4.123 5 20 IIBD CC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 504813264 LMTXLYFOOSCINF-UHFFFAOYSA-N 442.472 4.347 5 20 IIBD Cc1cc(=O)c(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)nn1-c1ccccc1C(F)(F)F 504986364 MXACWCPJVDFATG-UHFFFAOYSA-N 443.341 4.185 5 20 IIBD CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(=O)c1ccc([N+](=O)[O-])[nH]1 505356733 ZSJJIXPDRXAHDS-UHFFFAOYSA-N 432.786 4.084 5 20 IIBD CC(=O)c1cc(Br)ccc1OCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 506742835 JAUDMODNOAHEFH-UHFFFAOYSA-N 449.301 4.376 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC(C)(C)CCc3ccccc32)cc1OC 508333959 YZYBZSGRTKBCTO-LJQANCHMSA-N 442.512 4.462 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc2ccc(Br)cn2n1 511333356 LXXTXKBVFQTEFT-SECBINFHSA-N 439.653 4.064 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc(OC2CCCC2)c(Cl)c1 511536346 JMTDROUANUNVLV-UHFFFAOYSA-N 431.832 4.116 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 514066064 JUVYAXSVPQZIPJ-GMKZXUHWSA-N 430.508 4.495 5 20 IIBD O=C(Nc1ccc(Cc2nnc3ccccn23)cc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 514225846 FMBPFJKPWQVNRZ-UHFFFAOYSA-N 439.378 4.082 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCCCN2CCCC[C@H]2C)cc1[N+](=O)[O-])c1ccccn1 516382187 HEEXJFPBNWDNIF-QZTJIDSGSA-N 425.533 4.157 5 20 IIBD O=C(N[C@@H]1CCc2sc(Cl)cc21)c1ccc([N+](=O)[O-])cc1I 516823068 OAVDQOWCSOPLRD-LLVKDONJSA-N 448.669 4.332 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 517766848 HKIBPPHXBGCKPZ-GGPKGHCWSA-N 445.313 4.310 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCc1cccc(COCc2ccco2)c1 518659848 YCWHVDDVBIXYQL-UHFFFAOYSA-N 436.873 4.037 5 20 IIBD O=C(CCC(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1)N1CCC(c2ccccc2)=N1 521074295 ALXIOZSVFFIPRU-UHFFFAOYSA-N 434.496 4.287 5 20 IIBD COc1cc(OCC(=O)N2CCc3sccc3[C@@H]2c2cccs2)ccc1[N+](=O)[O-] 521354333 SITRRGVTFAVGCJ-HXUWFJFHSA-N 430.507 4.280 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCCN(CC(F)(F)F)CC1 522709149 YYYXVULVGPUKLV-UHFFFAOYSA-N 438.406 4.489 5 20 IIBD COc1cc(C(=O)NC2CCN([C@H](C)c3ccccc3)CC2)c([N+](=O)[O-])cc1OC(F)F 523811552 NVTBJTSUNNVWHE-CQSZACIVSA-N 449.454 4.160 5 20 IIBD O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccc(CNC(=O)C2CCCC2)cc1 524352411 ADMAXJTYWDHUBD-UHFFFAOYSA-N 433.468 4.044 5 20 IIBD Cc1ccc(COc2c(C)cc(CN(C)C(=O)c3c([N+](=O)[O-])c(C)nn3C)cc2C)cc1 524539844 XEXVXIGEPBEQCM-UHFFFAOYSA-N 436.512 4.413 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)[C@@H]1CCSc2ccccc21)c1ccccc1[N+](=O)[O-] 525651718 UOISXCWGCAEKLB-AEFFLSMTSA-N 428.510 4.373 5 20 IIBD C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 532228648 DWVNHORWVCQTDN-IAGOWNOFSA-N 447.495 4.310 5 20 IIBD COc1ccccc1[C@H]1CCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br 532955034 OPGNGNALVOQLKK-QGZVFWFLSA-N 434.290 4.142 5 20 IIBD O=C(NCC(F)(F)F)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 534341936 UUYMAUUGJBHEIA-UHFFFAOYSA-N 445.825 4.399 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 534702703 XOXLYHAUUQOHSI-UHFFFAOYSA-N 439.855 4.338 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NC2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] 535766730 ZOOVDYPRZZCAPH-ZIAGYGMSSA-N 428.510 4.234 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccc(Cl)cc2)c2noc(C)n2)cc1SC 536536167 XIPWTEGRURDDOE-QGZVFWFLSA-N 448.888 4.190 5 20 IIBD NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 538510272 XLPGDRRRUFYYTB-CABCVRRESA-N 429.420 4.009 5 20 IIBD COc1ccc(NC(=O)c2cccc(NC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)c2)cn1 538741026 QJXZUDFFKQYFIJ-UHFFFAOYSA-N 434.452 4.428 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 541131402 GYVYVRGRQWBHQV-TZMCWYRMSA-N 428.436 4.154 5 20 IIBD CC(C)(C)OC(=O)C1CCC(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 542202216 XOZRCBYGNFSVMJ-UHFFFAOYSA-N 428.938 4.357 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCCc1ccn(-c2ccc(F)cc2)n1 543123682 CQUGMIIYCJJMAT-UHFFFAOYSA-N 434.880 4.024 5 20 IIBD O=C(NC[C@H]1CCCCS1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 543159983 WCUUNBMYPYRJKJ-OAHLLOKOSA-N 431.480 4.232 5 20 IIBD CN1CCCC12CCN([C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)CC2 543194718 BUKBONPARYPQPL-NRFANRHFSA-N 442.947 4.488 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 544621792 LCKQAYFFSQLJEC-LLVKDONJSA-N 428.342 4.033 5 20 IIBD CC1CCN(c2ccc(-c3nc(-c4ccc(-n5cccn5)nc4)no3)cc2[N+](=O)[O-])CC1 546331360 MGTVVPLAVJTCMA-UHFFFAOYSA-N 431.456 4.129 5 20 IIBD Cn1ccnc1[C@H](NCc1nccn1CCCc1ccccc1)c1ccc([N+](=O)[O-])cc1 552042626 QYTXESPJSVCCGN-HSZRJFAPSA-N 430.512 4.037 5 20 IIBD COc1ccc(CNC(=O)NCc2ccc(Br)cc2Cl)cc1[N+](=O)[O-] 554960728 CKQKRAGVAUUAQL-UHFFFAOYSA-N 428.670 4.019 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ncc(-c2ccccc2)o1 556560498 HGYKPXSDRPOHPQ-CQSZACIVSA-N 436.468 4.363 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(Cc2cc(Br)cnc2O)no1 561894268 RTWJFRKPALSPGG-LBPRGKRZSA-N 433.262 4.168 5 20 IIBD C[C@@H](C(=O)NCc1cc(Br)ccc1OC(F)F)c1cccc([N+](=O)[O-])c1 562397359 VRQXMUHCHRGMHO-SNVBAGLBSA-N 429.217 4.379 5 20 IIBD CCO[C@@H](C)c1nc(CN2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3CC)CC2)cs1 569533737 ACQCRLLQJKTMDF-HNNXBMFYSA-N 447.561 4.061 5 20 IIBD CCCS(=O)(=O)Nc1cc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)c(F)cc1F 570420286 ZDNINYKWRNYZML-UHFFFAOYSA-N 441.456 4.202 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1CN[C@@H](c1ccc([N+](=O)[O-])cc1)c1nccn1C 576094978 KBUXOCZQFIGRML-QHCPKHFHSA-N 430.512 4.069 5 20 IIBD COC(=O)[C@@H](C)N(C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1C 580749700 JFSMGSYAPYXZNN-UONOGXRCSA-N 449.301 4.364 5 20 IIBD C[C@@H](Oc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(F)(F)F 582687816 LXAMPZOTBWAYEX-LLVKDONJSA-N 441.387 4.273 5 20 IIBD O=C(Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2)c1c[nH]c2cccc([N+](=O)[O-])c12 583160264 TYFQRUNXGRUURQ-UHFFFAOYSA-N 432.408 4.032 5 20 IIBD O=[N+]([O-])c1cc2c(cc1S(=O)(=O)Nc1cc(Cl)c(Cl)cc1Cl)OCCO2 584485155 WMCQOSQWCOANFR-UHFFFAOYSA-N 439.660 4.127 5 20 IIBD COc1ccc2[nH]cc(CCNC(=O)c3cc([N+](=O)[O-])cc(Br)c3C)c2c1 585699325 MONICJFMCJKUNE-UHFFFAOYSA-N 432.274 4.128 5 20 IIBD CCOc1ccccc1C(=O)N(CCOC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603461259 JTAFDDDOSGGXNL-UHFFFAOYSA-N 427.482 4.410 5 20 IIBD Cc1ccc(Cn2nccc2NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)o1 603820532 MSGMGEXIYOUBPB-HZPDHXFCSA-N 437.500 4.476 5 20 IIBD CC(C)(CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(Br)cc1 603860670 QSTDSVFYTBJLIN-UHFFFAOYSA-N 427.320 4.151 5 20 IIBD CCOc1cc(CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)ccc1OC(F)F 603943384 ALTGOAZUHWSHMM-UHFFFAOYSA-N 435.427 4.443 5 20 IIBD CNc1ccc(C(=O)Nc2cc(C)nn2-c2cccc(Br)c2)cc1[N+](=O)[O-] 608820519 DAVNDJQCPRKKCP-UHFFFAOYSA-N 430.262 4.145 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCc3cccc(C(=O)N(C)C)c3)c([N+](=O)[O-])c2)cc1 608973057 SUVNMIFRMMMBJI-UHFFFAOYSA-N 432.480 4.469 5 20 IIBD CN(Cc1ccc2ccccc2c1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 609030217 MXJCZBLQBIVKBU-UHFFFAOYSA-N 435.299 4.331 5 20 IIBD C[C@@H](c1ccncc1)N(C)C(=O)c1ccc(C(=O)N(C)[C@H](C)c2ccncc2)cc1[N+](=O)[O-] 609044952 WRMMIMRWVZKESZ-SJORKVTESA-N 447.495 4.051 5 20 IIBD CCOc1cc(NC(=O)N2CCCc3cc(OC)ccc3C2)c([N+](=O)[O-])cc1OCC 609137494 NMYLACVTQCPLFP-UHFFFAOYSA-N 429.473 4.381 5 20 IIBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OC(C)C)cc1C(F)(F)F 609218896 ATLKTNHYIYZNOL-UHFFFAOYSA-N 434.392 4.210 5 20 IIBD C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 609508220 FLHNDRCEXCQHSX-VLIAUNLRSA-N 426.860 4.036 5 20 IIBD CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 609695190 FBKVIWXAJJREQX-HKBQPEDESA-N 443.569 4.497 5 20 IIBD O=C(COc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c1)Nc1ccccc1 609784301 MHRRJFDBRQANRV-UHFFFAOYSA-N 439.855 4.447 5 20 IIBD COc1ccc([C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2Br)C2CC2)cc1 609962003 RVDNPRHFYHSGCJ-LJQANCHMSA-N 435.274 4.012 5 20 IIBD O=C(NCCc1ccc(Br)s1)c1ccc([N+](=O)[O-])cc1Br 610038479 WIUGDSHUZHSVMD-UHFFFAOYSA-N 434.109 4.154 5 20 IIBD Cc1cc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)ccc1C(=O)N(C)C 610122573 DGRRBEFNLMNFMO-MRXNPFEDSA-N 447.495 4.425 5 20 IIBD COc1cccc(Oc2ncccc2CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])c1 610161116 YQRUOFNWLGIEEF-UHFFFAOYSA-N 434.452 4.295 5 20 IIBD CC(C)[C@H]1c2ccccc2CCN1C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 610792075 KGTDMYLLTMMIOA-FQEVSTJZSA-N 437.525 4.270 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 611514210 SPBHTQXAZVCAOZ-QWRGUYRKSA-N 433.736 4.173 5 20 IIBD CC(C)(C)OC(=O)c1ccccc1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 615295900 JFWIHZOKGNWWSG-UHFFFAOYSA-N 426.469 4.276 5 20 IIBD CC(C)[C@@H](OC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C(=O)N1CCSc2ccccc21 725935291 NCAMZYZWWTYPTK-GOSISDBHSA-N 436.436 4.193 5 20 IIBD O=C(COC(=O)[C@@H](OC1CCCC1)c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 727017984 PYHZOFGJPQKSNR-FQEVSTJZSA-N 432.860 4.430 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Nc1ccc(CC[C@H](O)c2ccccc2)cc1 727360226 HSOGDOYLPVLHFT-FQEVSTJZSA-N 430.457 4.201 5 20 IIBD CC[C@@H](OC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1cccc(Br)c1 727960333 DLUGQXWJFOLIFU-MRXNPFEDSA-N 442.287 4.069 5 20 IIBD C[C@H](OC(=O)c1cnc(C2CC2)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 729771326 JVUYXBZEJJFEKS-QMMMGPOBSA-N 429.376 4.132 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 731057867 NRXTXULQVNPTKJ-HXUWFJFHSA-N 441.484 4.443 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@H](C)c1ccc(SC(C)C)cc1 731631142 PMZPQTWRPVCFTH-CQSZACIVSA-N 432.498 4.173 5 20 IIBD CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] 733107778 ZEHLPCYGWYVRRA-UHFFFAOYSA-N 429.826 4.471 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)CC1 739629731 VPSPSXCZVGUGBY-HXUWFJFHSA-N 425.485 4.251 5 20 IIBD O=C(COC(=O)c1ccccc1Oc1ccccn1)Nc1cc([N+](=O)[O-])ccc1Cl 741000672 MVOCTPXXWWEELE-UHFFFAOYSA-N 427.800 4.231 5 20 IIBD COc1cc(CCNc2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])ccc1C 741243318 WPVWMHCDEXDUMS-UHFFFAOYSA-N 440.250 4.246 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1c2ccccc2N(C(=O)OC(C)(C)C)C[C@H]1C 743345401 HMGCWVLVHKQELK-CQSZACIVSA-N 447.513 4.242 5 20 IIBD Cc1nccc(C(=O)Oc2ccc(Cl)cc2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1 744283034 FNFLRGSAIMNXDP-UHFFFAOYSA-N 447.234 4.472 5 20 IIBD O=C(OCc1cccc([N+](=O)[O-])c1)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 744360097 PGHMWEQYXHQUHP-SFHVURJKSA-N 425.268 4.018 5 20 IIBD Cc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)ccc1C(F)(F)F 744374240 NLJNQARUDPXDLR-NSHDSACASA-N 425.338 4.053 5 20 IIBD CCc1c(C(=O)COC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[nH]c(C)c1C(C)=O 745567731 RRQRNHVMCYYVIL-UHFFFAOYSA-N 426.347 4.055 5 20 IIBD C[C@@H]1CCc2c(sc3nc(CCC(=O)OCc4ccc([N+](=O)[O-])cc4F)nc(O)c23)C1 746938862 SMVQAUCXIAVOID-LLVKDONJSA-N 445.472 4.245 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 749054178 JYZJLQZEWSKPKQ-UHFFFAOYSA-N 442.859 4.462 5 20 IIBD Cc1c(COC(=O)c2cnn([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)cccc1[N+](=O)[O-] 751920462 VRHPORJZZWCGAF-GOSISDBHSA-N 444.488 4.029 5 20 IIBD Cc1ccc(-c2nc(CCNS(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3Cl)co2)cc1 752246627 GLYQCIQHNRAKOK-UHFFFAOYSA-N 435.889 4.041 5 20 IIBD O=C(OCc1cn(-c2ccc(Cl)cc2)nn1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 753650759 BMYURJBSXYGXKJ-UHFFFAOYSA-N 441.856 4.309 5 20 IIBD CCO[C@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C12CCCCC2 755011784 ALBXFBQOUGLHLA-GJZGRUSLSA-N 429.286 4.354 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 755028909 HBDLSLVNRYRKPN-UHFFFAOYSA-N 435.234 4.462 5 20 IIBD COc1cc(C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)ccc1Cl 759762034 NVRZNTSXAMCQIE-UHFFFAOYSA-N 430.848 4.358 5 20 IIBD C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 759836902 PRSUXXNZHADKED-LBPRGKRZSA-N 429.816 4.251 5 20 IIBD COc1ccccc1[C@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])c1ccccn1 760270521 PGTJQJTXGZCXQH-IBGZPJMESA-N 449.435 4.196 5 20 IIBD CCCN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 760829880 IIQYZNHUPONAMU-LJQANCHMSA-N 430.505 4.471 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H](C)C[C@H](O)c2ccco2)cc1 761858900 AWDQDIUNICHWFJ-KUHUBIRLSA-N 426.425 4.231 5 20 IIBD CC(C)[C@H](NC(=O)OC(C)(C)C)c1noc(-c2cc(O)nc3ccc([N+](=O)[O-])cc23)n1 762021733 FDAOJZIHRCDYDR-INIZCTEOSA-N 429.433 4.120 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)OCCCn2ccnc2C)cc1[N+](=O)[O-] 763107108 DMBMIDUOSCYPCR-UHFFFAOYSA-N 439.493 4.300 5 20 IIBD CCN(CCc1ccccn1)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 764316163 UHIIYOQYMXELAT-OAHLLOKOSA-N 425.514 4.005 5 20 IIBD Cc1cc(=O)c(C(=O)O[C@@H](C)c2ccccc2[N+](=O)[O-])nn1-c1cccc(C(F)(F)F)c1 764596996 KPNKQWYFRWAKII-ZDUSSCGKSA-N 447.369 4.386 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NC[C@H](O)c2cccc(C)c2)c([N+](=O)[O-])c1 767813541 BRRSALSPIAJWHG-QFIPXVFZSA-N 434.448 4.066 5 20 IIBD CCC(CC)n1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 770141107 VTYLKFDAODNMTC-NSHDSACASA-N 442.394 4.355 5 20 IIBD C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cccc(N2CCOC2=O)c1 771765390 MPLNXDOFKRCJAS-NSHDSACASA-N 438.362 4.453 5 20 IIBD O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)c1Br 775202385 OTVTVTGMBVYSPD-UHFFFAOYSA-N 441.181 4.057 5 20 IIBD C[C@H](Nc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1)c1cccc([N+](=O)[O-])c1 775555886 DYNXRNOKSRTIGT-INIZCTEOSA-N 431.448 4.443 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 777924916 WTALTWORZSUPJN-ZDUSSCGKSA-N 444.868 4.054 5 20 IIBD CC(C)Oc1cc(F)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1I 779112874 SIMKXOQWVIVCFJ-UHFFFAOYSA-N 444.200 4.378 5 20 IIBD C[C@H](OC(=O)[C@H](c1cccc(Cl)c1)N(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 780101349 AIUSJGRMAPMXSC-GTNSWQLSSA-N 440.283 4.075 5 20 IIBD CC[C@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC[C@H]1NC(=O)OC(C)(C)C 780960757 HIHPSAWMEWDMLH-OXJNMPFZSA-N 449.551 4.447 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3c[nH]nc3-c3ccsc3)CC2)ccc1[N+](=O)[O-] 781488860 HCVNAIMHCXWAGQ-UHFFFAOYSA-N 442.497 4.271 5 20 IIBD CC(C)c1ccc(C(=O)O[C@H](C(N)=O)c2ccc(Br)cc2F)cc1[N+](=O)[O-] 784258953 MNHUUDQNUIVBGF-INIZCTEOSA-N 439.237 4.003 5 20 IIBD O=C(COC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccc2c(c1)COC2 787251789 HSXLLVBDYSNFOG-UHFFFAOYSA-N 433.416 4.244 5 20 IIBD C[C@H](N[C@H](CO)c1ccc(Br)cc1C(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 788799380 DPNPYOILLDEGGX-BJOHPYRUSA-N 448.239 4.343 5 20 IIBD CC(C)[C@H](NC(=O)OC(C)(C)C)c1noc(-c2cc([N+](=O)[O-])ccc2N2CCCC2)n1 789766576 ZIMKSYSFPUDRPV-KRWDZBQOSA-N 431.493 4.467 5 20 IIBD O=C(NCc1cccc(NC(=O)c2ccncc2)c1)Nc1cccc([N+](=O)[O-])c1Cl 809922010 MILLZFPXXJPYIZ-UHFFFAOYSA-N 425.832 4.217 5 20 IIBD CC[C@@H](C)Oc1ccc(NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1 810392867 GIFYURCLPZXIEQ-LLVKDONJSA-N 436.262 4.112 5 20 IIBD Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21 810957593 HXEIOIZJEFVEMQ-INIZCTEOSA-N 444.488 4.313 5 20 IIBD O=C(OCc1nc(Cc2ccc(F)cc2)no1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811376940 XBUZARUVTKAVAV-UHFFFAOYSA-N 426.187 4.372 5 20 IIBD CC(C)Cn1c(CC2CC2)nnc1N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 812210171 CYMYZEFGULJUQZ-UHFFFAOYSA-N 434.338 4.120 5 20 IIBD CCOc1ccc([C@@H](O)C2CCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)CC2)cc1 812677247 RQOVTSUJGDFXTJ-HSZRJFAPSA-N 435.480 4.128 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])O[C@@H](c1nc2ccccc2o1)C(F)(F)F 816063870 UQZFHPWOEIPXDA-INIZCTEOSA-N 439.302 4.424 5 20 IIBD CCOc1ccc(NC(=O)COc2ccc3c(C(C)C)cc(=O)oc3c2)c([N+](=O)[O-])c1 854093513 IOVQFUONTSRPEZ-UHFFFAOYSA-N 426.425 4.241 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)c1cc(C)nc2c1cnn2Cc1cccs1 900705106 SACISKMKCMHYSX-UHFFFAOYSA-N 438.465 4.123 5 20 IIBD O=C(NCc1ccc(-n2ccnc2)nc1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 914723358 FQNSDQINOIUAOZ-UHFFFAOYSA-N 431.477 4.257 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2ccc(OC3CCCC3)cc2)c([N+](=O)[O-])c1 914953043 RFFXHGYAPLFOFL-UHFFFAOYSA-N 428.441 4.110 5 20 IIBD COc1cc(COC(=O)c2oc(Br)cc2C)c([N+](=O)[O-])cc1OC(F)F 917290149 XLWVWIFLHVLAQE-UHFFFAOYSA-N 436.161 4.226 5 20 IIBD CC(C)CNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1Cl 917757654 VFMWPTOXPHFPJD-UHFFFAOYSA-N 446.312 4.088 5 20 IIBD Cc1c(C(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 917795248 VSBGOYCVBRAHTE-UHFFFAOYSA-N 434.836 4.103 5 20 IIBD CC(C)(C)OC(=O)N1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 921060149 DBRYOWXVXMNXKS-QGZVFWFLSA-N 432.521 4.032 5 20 IIBD O=C(CSc1nncn1-c1cccc(Cl)c1)Oc1cc(Cl)ccc1[N+](=O)[O-] 921136417 GVZBDEHGRANLLY-UHFFFAOYSA-N 425.253 4.180 5 20 IIBD COc1cc(/C=C2/C(=O)Nc3cc(Cl)c([N+](=O)[O-])cc32)c(Br)cc1O 921265613 NIFNHCORHOGZBE-XNWCZRBMSA-N 425.622 4.218 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC[C@H]2c2cccc(Cl)c2)c(S(=O)(=O)N2CCCC2)c1 1115859285 ROXSZPQAAPUJOF-SFHVURJKSA-N 435.933 4.374 5 20 IIBD O=C(O[C@@H]1CCCS(=O)(=O)C1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 1263380062 FTXMRQONOQHOMX-CYBMUJFWSA-N 441.914 4.133 5 20 IIBD Nc1c(C(=O)Nc2cccc(Cl)c2-n2cccn2)cc(Br)cc1[N+](=O)[O-] 1322735165 BESDLCDYCARGJS-UHFFFAOYSA-N 436.653 4.031 5 20 IIBD COc1ccc(N(Cc2ccccc2)C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)cc1OC 1325967824 ANFGCGJLYJHNNA-UHFFFAOYSA-N 436.464 4.397 5 20 IIBD O=[N+]([O-])c1ccccc1OCc1nnc(-c2cnn(-c3ccc(F)cc3)c2-n2cccc2)o1 1326514832 WSSHUTVHIOBOBD-UHFFFAOYSA-N 446.398 4.339 5 20 IIBD O=c1ccccn1C[C@H](NCc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 1327065473 DJHHOGNEYYXUGN-IBGZPJMESA-N 428.286 4.050 5 20 IIBD COc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CCC2)cc1 1785749763 MCINSVFOGLDFCW-UHFFFAOYSA-N 435.436 4.258 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)NC1(c2ccc(NC(=O)[C@H]3C[C@@H]3C3CC3)cc2)CCC1 1786048667 IUERKVMPBCJZAH-YADHBBJMSA-N 433.508 4.318 5 20 IIBD Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ccco4)cc3)CCC2)cc1[N+](=O)[O-] 1787271491 WTHTYBWWYBOSJD-UHFFFAOYSA-N 433.464 4.487 5 20 IIBD COc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@H]4C4CC4)CCC3)cc2)ccc1[N+](=O)[O-] 1792163949 NOOLEOMTICYSLN-VQTJNVASSA-N 449.507 4.397 5 20 IIBD CCC[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1792477614 YDVRYJMREPLCHH-WSJSTIOHSA-N 441.572 4.382 5 20 IIBD Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(F)c2[N+](=O)[O-])c1Cl 1800530930 WUKZXQVHKFSSQA-QDMKHBRRSA-N 445.878 4.261 5 20 IIBD CCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(C)c([N+](=O)[O-])c2)n[nH]1 1820918465 BAJUIOLDSRXVOW-GOSISDBHSA-N 441.532 4.297 5 20 IIBD O=C(Nc1ccc(Br)cc1Br)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 13956432 FKIQBWQVQRXCRK-UHFFFAOYSA-N 445.023 4.280 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(F)cc1 15210093 XUPUYLWZSBTVEN-UHFFFAOYSA-N 431.445 4.155 5 20 IIBD CCOc1ccc(C(C)=O)cc1COC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 24962229 VUCLWIRPVUVGBC-UHFFFAOYSA-N 426.469 4.156 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(N4CCCC4=O)cc3)cc2[N+](=O)[O-])C1 58783902 WRLAOJMNCWKBPS-CALCHBBNSA-N 436.512 4.456 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC1(c2ccc(F)cc2)CCOCC1 64739617 ATHSAYKATGVWLH-CQSZACIVSA-N 436.867 4.019 5 20 IIBD CNC(=O)c1ccc(Sc2nnc(-c3ccoc3C)n2-c2ccccc2)c([N+](=O)[O-])c1 64905364 ZQLIHIULUNKJGR-UHFFFAOYSA-N 435.465 4.255 5 20 IIBD CN1CCC(N(C[C@H]2C[C@H]3C=C[C@H]2C3)C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC1 426675794 WDXLQKCTZVCWAE-SESVDKBCSA-N 446.551 4.405 5 20 IIBD Cc1nc(C)n(Cc2cccc(NC(=O)c3ccc(N4CCC[C@H](C)C4)c([N+](=O)[O-])c3)c2)n1 427127596 GJFJFVWVWZEQSL-INIZCTEOSA-N 448.527 4.340 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)Nc2nnc(SCc3ccccc3)s2)cc1[N+](=O)[O-] 429221870 PDYVFINEEDIKSI-CYBMUJFWSA-N 429.527 4.930 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@@H](OCCCc2ccccc2)C1 430450755 BRNCWAIVNUTKIO-JOCHJYFZSA-N 440.543 4.405 5 20 IIBD O=C(c1cncc(-c2ccc3c(c2)CCO3)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 431625451 ZBRXMSGOAQZWCE-UHFFFAOYSA-N 445.475 4.275 5 20 IIBD CCN([C@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 431839642 FJHRVEOVVJWGBN-HXUWFJFHSA-N 429.473 4.238 5 20 IIBD CS[C@H]1CCCCN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C1 435290736 RZDRPVWNAPAHNL-LBPRGKRZSA-N 429.329 4.445 5 20 IIBD COc1cccc(C(=O)Nc2ccccc2CN(C)C(=O)c2cccs2)c1[N+](=O)[O-] 435871735 USJBFFZQXAFROZ-UHFFFAOYSA-N 425.466 4.189 5 20 IIBD COc1ccccc1-c1nc(C2CCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])CC2)no1 436377204 GEUDUBQJTHPUQC-UHFFFAOYSA-N 449.389 4.451 5 20 IIBD C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H](OC1CCOCC1)c1ccccc1 437816334 ABUMPDUBHFWGMP-OYHNWAKOSA-N 432.904 4.232 5 20 IIBD CCCS(=O)(=O)Nc1cc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c(F)cc1F 439534128 DQTARHVJXCKFBS-UHFFFAOYSA-N 441.456 4.400 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 443946487 MPHIRSVWBREUBP-UHFFFAOYSA-N 442.785 4.248 5 20 IIBD Cc1nnc(-c2cccc(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)c2)n1C 444247711 GREBDRPYFUXJDJ-UHFFFAOYSA-N 445.429 4.316 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCO[C@@H](CCc2ccccc2)C1 444312443 LUHZECRCXVKGJW-IBGZPJMESA-N 448.469 4.433 5 20 IIBD COCc1cccc2sc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Br)nc12 445866854 PPAUJKMPMDQWTI-UHFFFAOYSA-N 436.287 4.295 5 20 IIBD COC(=O)c1scc(C)c1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 445940634 BMXIDXBRTCPXRR-UHFFFAOYSA-N 431.392 4.211 5 20 IIBD COCCN(C(=O)COC(C)(C)C(F)(F)F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 448099991 XBQHQDVOZCGCIP-UHFFFAOYSA-N 447.435 4.055 5 20 IIBD COc1ccc([C@H](Cc2ccccc2)NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1 461082659 NYHOXCBPOJKHTA-NRFANRHFSA-N 436.464 4.091 5 20 IIBD CCc1cc(=NC(=O)[C@@H](C)Oc2ccc(CCC(C)=O)cc2)c2cc([N+](=O)[O-])ccc2[nH]1 462603186 HTONPZRWINHIDY-MRXNPFEDSA-N 435.480 4.055 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCC(C)(C)C[C@H](C)O)c([N+](=O)[O-])c2)c(C)c1 462870302 JNTXYSLAYXCXNG-INIZCTEOSA-N 435.546 4.221 5 20 IIBD COc1cc(Br)ccc1CCC(=O)NCc1ccc([N+](=O)[O-])cc1Cl 466302997 NEKMXTMNTHRGIL-UHFFFAOYSA-N 427.682 4.268 5 20 IIBD C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 466895474 ZSDXJTQBIZSVPW-WBVHZDCISA-N 437.525 4.283 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(C)c(Oc2cc(C)ccn2)c1 469566501 FDMBPUPUJZARIF-QGZVFWFLSA-N 438.488 4.270 5 20 IIBD CC1(c2ccc(Cl)cc2)CCN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 470685053 VVUMHBQJPXCGET-UHFFFAOYSA-N 447.944 4.020 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 470716414 LOVIGRHQWAEBJW-ZDUSSCGKSA-N 448.262 4.449 5 20 IIBD COc1cccc([C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])c2cc(F)ccc2OC)c1 471461140 ZDFGDWWXMKIUBY-HSZRJFAPSA-N 440.427 4.036 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)c([N+](=O)[O-])cc1OC 471639701 PSZNDPBCMZQXEP-UHFFFAOYSA-N 442.403 4.321 5 20 IIBD Cc1cc(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c(C(F)(F)F)o1 472538716 ZQNPDQZHRDJCJD-AWEZNQCLSA-N 428.363 4.328 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@]3(CCCN(Cc4ccccc4)C3)C2)c1 473494763 ICTFQWZVEDULQG-QHCPKHFHSA-N 425.554 4.445 5 20 IIBD Cc1nc(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)oc1-c1ccc(Cl)cc1 476938478 IHLKBMQAAHDPOK-UHFFFAOYSA-N 437.843 4.327 5 20 IIBD Cn1c(Sc2ccc([N+](=O)[O-])cc2Br)nnc1[C@@H]1COc2ccccc2O1 478214912 YRKLLEUAMOJYIT-AWEZNQCLSA-N 449.286 4.150 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3ccc(F)c(NC(N)=O)c3)cc2[N+](=O)[O-])n1 478412186 GVOMKOUGNOWCFE-UHFFFAOYSA-N 447.473 4.393 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CCN(C4CC4)c4ccc(F)cc43)cc2)c(C)c1[N+](=O)[O-] 479861521 QRDOKOKUDNUSIC-UHFFFAOYSA-N 449.486 4.225 5 20 IIBD COc1ccc(C(NC(=O)CNc2cc(F)cc([N+](=O)[O-])c2)c2ccc(OC)cc2)cc1 480161048 HWOUHYCPPYRMPP-UHFFFAOYSA-N 439.443 4.069 5 20 IIBD CC(C)(C)[C@H]1C[C@@H](NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CCO1 480945274 LQETXKVEKOBVOY-MEDUHNTESA-N 441.315 4.411 5 20 IIBD CC1(C)CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC[C@H]1C(F)(F)F 484345945 QQFNVSPOYYKYRC-CYBMUJFWSA-N 438.244 4.206 5 20 IIBD CN1C(=O)C[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(Cl)c(Cl)c1 485608683 NZNGBGDRAJFNDH-GTNSWQLSSA-N 426.231 4.199 5 20 IIBD Cc1cccc(N2C[C@@H](C(=O)N(Cc3ccccc3[N+](=O)[O-])CC(F)(F)F)CC2=O)c1C 486119328 LOSKMDGTOFGFMK-KRWDZBQOSA-N 449.429 4.156 5 20 IIBD CC(C)(C)c1ccc([C@H]2CCCN2C(=O)CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 486477519 ZGGAOMFOYVWEHR-HXUWFJFHSA-N 430.526 4.030 5 20 IIBD CO[C@@H](C)c1nc(CN2CCCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)cs1 487142060 LLNKSGPPQJQYAO-HNNXBMFYSA-N 427.530 4.019 5 20 IIBD CN(CC(=O)NCc1cccs1)C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 487764584 VOODDHHFZBMALQ-UHFFFAOYSA-N 441.534 4.196 5 20 IIBD O=C(NC1CCN(c2nc3ccccc3s2)CC1)c1cc([N+](=O)[O-])ccc1OC(F)F 488522485 ONPLYWWGUBVSLI-UHFFFAOYSA-N 448.451 4.205 5 20 IIBD CN(CC(=O)NC(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])c2cnccc12 488750823 HGNAOUBUSOQRQM-UHFFFAOYSA-N 426.476 4.485 5 20 IIBD COc1cc(C(=O)N(C)C)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C 489871139 MENUYMDPIBJTKX-UHFFFAOYSA-N 431.514 4.306 5 20 IIBD CC(C)[C@H]1CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)CCCO1 494358711 ANPCMQCQFGNQLX-MRXNPFEDSA-N 449.554 4.020 5 20 IIBD Cn1ccnc1[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1F 496395223 ONCGFQMNLLSBIT-GOSISDBHSA-N 437.456 4.110 5 20 IIBD COc1ccc(CNC(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)cc1[N+](=O)[O-] 498918090 JACZNZLNRHYXAP-UHFFFAOYSA-N 434.452 4.486 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)cc1[N+](=O)[O-] 499105943 LXNJUSGUEONOMS-CRAIPNDOSA-N 443.504 4.178 5 20 IIBD C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 500219040 OFLLFVSDPFCQTK-HNNXBMFYSA-N 438.509 4.010 5 20 IIBD COC1(CCNC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CCC1 501419846 AMHQTCKARIQDDK-UHFFFAOYSA-N 428.510 4.237 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 502186885 JRNTXMIIMIUJOQ-NRFANRHFSA-N 425.872 4.389 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1 502770605 GNIKQACTISYZFT-UHFFFAOYSA-N 436.443 4.356 5 20 IIBD CCSc1ccc([C@H](C)NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 504743978 ZKVSLJAXIGNRHQ-ZDUSSCGKSA-N 443.554 4.478 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@H](COCC(C)C)c3ccco3)cc2)c(C)c1[N+](=O)[O-] 505281075 YGCHYUCXEYJONL-HXUWFJFHSA-N 440.500 4.193 5 20 IIBD C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cccc([N+](=O)[O-])c1 509616088 FYIWISPKJWFZJI-MRXNPFEDSA-N 446.529 4.042 5 20 IIBD O=C(Nc1ccnn1Cc1cccc2ccccc12)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 520027303 CKYONKLIPSRTDV-UHFFFAOYSA-N 438.447 4.431 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC(=O)N(C)c3ccccc32)cc1 530654908 MKYKPMZWKBZVDI-UHFFFAOYSA-N 433.420 4.019 5 20 IIBD Cc1ccc(-c2[nH]nc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)c2C)o1 533005570 OLQCSMNRADBTNQ-UHFFFAOYSA-N 430.364 4.014 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)Nc1cccc(-c2ncco2)c1)c1ccccc1[N+](=O)[O-] 533132055 PCGPUGVTSVKMDE-GOSISDBHSA-N 438.440 4.454 5 20 IIBD Cc1c(NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cccc1S(=O)(=O)NC(C)(C)C 534059080 SFUJOSVTOORRKG-UHFFFAOYSA-N 444.513 4.247 5 20 IIBD COc1ccc(C[C@@H](C)CN(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1 534158952 KIWFLIPKSDJSIT-CQSZACIVSA-N 435.318 4.246 5 20 IIBD C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1cc(I)cc([N+](=O)[O-])c1 534287854 IKSNXHJVCPFTRX-SECBINFHSA-N 446.191 4.311 5 20 IIBD C[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(NC(=O)c2ccncc2)cc1 534685366 MLEZAQIXILTZJW-HNNXBMFYSA-N 443.463 4.143 5 20 IIBD C[C@@H](C(=O)Nc1ccc(Cl)cc1)[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534796394 PZOVLIYMXIGXEF-WUTCKBNWSA-N 433.873 4.179 5 20 IIBD CC(C)n1cnnc1[C@@H]1CCCN(c2c([N+](=O)[O-])cnc3ccc(Br)cc23)C1 536987163 ZMEGUOGZLVKSHK-CYBMUJFWSA-N 445.321 4.462 5 20 IIBD CC(C)CN(C(=O)CCOC[C@@H]1CCCO1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 537152576 FGCFQVDXWSLEOT-INIZCTEOSA-N 433.530 4.293 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)c1 537384421 RNDQAKARDPLCNQ-VXGBXAGGSA-N 425.304 4.168 5 20 IIBD CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2Cc1cc([N+](=O)[O-])ccc1OC(F)F 540769303 HDBPZIITOFXAPP-UFRUDQCGSA-N 445.466 4.464 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c1 541801971 QTYFNHGUNIMNDP-UHFFFAOYSA-N 431.495 4.326 5 20 IIBD CC[C@](C)(CO)NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 541993946 YZXXBNVCVMTGRU-CNCHJIQNSA-N 425.510 4.412 5 20 IIBD O=C(c1occc1-c1ccccc1)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 542772090 PWCADJVAVRRQHK-UHFFFAOYSA-N 431.452 4.084 5 20 IIBD Cc1ccnc(Oc2cc(NC(=O)CNC(=O)c3ccc([N+](=O)[O-])c(C)c3)ccc2C)c1 543884967 PNIADLUMVXTQQE-UHFFFAOYSA-N 434.452 4.076 5 20 IIBD Cc1ccc(O)c(C(=O)Nc2nc(CC(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)cs2)c1 546171788 KUPNTDGWMWLJSI-UHFFFAOYSA-N 440.481 4.116 5 20 IIBD Cc1cc(Br)cn2cc(CCN[C@@H](C)CCc3ccccc3[N+](=O)[O-])nc12 546227705 LZWOYUWAZPPADP-HNNXBMFYSA-N 431.334 4.467 5 20 IIBD CC1CCN(c2ccc(-c3nc([C@H]4CC(=O)N(c5ccccc5)C4)no3)cc2[N+](=O)[O-])CC1 546432666 NULJLFVNLPPSKY-SFHVURJKSA-N 447.495 4.402 5 20 IIBD C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccc(Cl)cc1)c1ccn(C)n1 546575780 OZZWOOYQEDUGHA-QKKBWIMNSA-N 427.892 4.078 5 20 IIBD CN(Cc1cccc(Cl)c1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 555512600 DWTSUNUYBJCTHT-MRXNPFEDSA-N 427.892 4.180 5 20 IIBD O=C(Nc1ccc2c(c1)N(CC(F)F)CCS2)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 556490054 ZWJOIMOYPRLQNI-UHFFFAOYSA-N 445.451 4.210 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)cc1 557441904 LCOOYIYFCNHYFK-PNLZDCPESA-N 439.512 4.198 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 557802958 NMIOIUSZGYSTDO-ZBFHGGJFSA-N 432.502 4.007 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2c2nc(-c3ccc(Br)o3)no2)ccc1[N+](=O)[O-] 558384705 UNGIASDOYNTSQC-CYBMUJFWSA-N 447.245 4.286 5 20 IIBD CCS(=O)(=O)c1ccc(N2CCC(N[C@@H]3CCCc4ccc([N+](=O)[O-])cc43)CC2)cc1 562495035 CZVNQPMUGAVDMT-HSZRJFAPSA-N 443.569 4.024 5 20 IIBD C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1 566671161 RLYHTTPRPANPEQ-ATVHPVEESA-N 434.496 4.157 5 20 IIBD Cc1cc(-c2ncco2)ccc1NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 569742630 JDFLWFMNSMLRET-HXUWFJFHSA-N 434.452 4.110 5 20 IIBD CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1 573986394 CULJFIIMIYUGGE-LLVKDONJSA-N 434.290 4.446 5 20 IIBD CSC1(CNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CCN(C)CC1 577564432 GMSGUHKPYIVNOF-UHFFFAOYSA-N 430.530 4.336 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1ccc(Br)cc1F 582204578 CDJVHGZNHHRWOC-LLVKDONJSA-N 440.269 4.184 5 20 IIBD CC(C)c1[nH]nc(C(=O)N[C@@H]2CCCc3c2[nH]c2ccc(Br)cc32)c1[N+](=O)[O-] 583864637 WXKVDUDKDHXYAO-CQSZACIVSA-N 446.305 4.493 5 20 IIBD CCCOc1cc(NC(=O)N[C@H]2CC[C@](O)(C(F)(F)F)C2)c([N+](=O)[O-])cc1OCCC 590104384 QSFLWUZVCPYRCX-KPZWWZAWSA-N 449.426 4.140 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 604118458 YYNMUFAAWQEEKI-UHFFFAOYSA-N 435.845 4.203 5 20 IIBD CCOC1CCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 604198358 LMFNLGCRUQRZMF-UHFFFAOYSA-N 434.496 4.018 5 20 IIBD COc1cc(C(=O)N(Cc2ccc(C)o2)C2CC2)c([N+](=O)[O-])cc1OCc1cscn1 604387939 YZUMYVNUDQZSEH-UHFFFAOYSA-N 443.481 4.345 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCCC[C@H]1Cc1ccc(F)cc1 609187637 REMSQKCICCRMKW-SFHVURJKSA-N 441.459 4.046 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2CCN(C3CCCC3)C2)cc1 609310085 UCIQMVZASIDYSR-INIZCTEOSA-N 425.485 4.142 5 20 IIBD O=C(c1ccc(-n2cc(Br)cn2)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 610889662 PBRQXDVVGYROAH-UHFFFAOYSA-N 441.285 4.348 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CN(C)Cc2ccccc2)CC1 619806576 IJAFYTDDIKBCJT-UHFFFAOYSA-N 434.544 4.222 5 20 IIBD C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 727220669 SQWAUTSLUKJLAV-JTQLQIEISA-N 438.223 4.462 5 20 IIBD COc1ccc(CC(=O)O[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] 727885240 ANVKRRHXYNFUPQ-SNVBAGLBSA-N 427.240 4.023 5 20 IIBD COC(=O)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(OCC(F)(F)F)c1 728013067 VYNRUPVCVQUSSS-UHFFFAOYSA-N 432.738 4.228 5 20 IIBD CC(C)(C)OC(=O)NCc1cccc(OS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 730271081 OAGXFRCSMGBYQA-UHFFFAOYSA-N 442.877 4.041 5 20 IIBD O=C(OCc1nnc(-c2ccc(Br)s2)o1)c1c(Cl)cccc1[N+](=O)[O-] 730646904 OLOOSRLYKQVTFZ-UHFFFAOYSA-N 444.650 4.479 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(-c2nc(-c3ccsc3)no2)cc1 731788082 DNFURQYYBLQWGX-UHFFFAOYSA-N 443.462 4.449 5 20 IIBD C[C@H](OC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)C(=O)Nc1cccc(C(F)(F)F)c1 735352348 JIUGTMPSYLUIBM-JTQLQIEISA-N 449.341 4.051 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 735877882 DHJKZIOWRXRXBP-INIZCTEOSA-N 434.928 4.110 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cc(O)nc3cc(F)ccc23)cc1)c1cccc([N+](=O)[O-])c1 739476023 WZFYYGVUOGKJLS-UHFFFAOYSA-N 447.378 4.459 5 20 IIBD CC(C)N(CCCNC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)OC(C)(C)C 739719834 DASHNTSIRMHTGT-UHFFFAOYSA-N 444.326 4.123 5 20 IIBD CC(C)(C)C(=O)Nc1ccc(C(=O)COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 740394509 IGBOTOIGHVJXCV-UHFFFAOYSA-N 426.469 4.283 5 20 IIBD C[C@@H](OC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1)c1ccccc1[N+](=O)[O-] 741439044 SPTGQGJGMBZWLG-MRXNPFEDSA-N 425.462 4.487 5 20 IIBD O=[N+]([O-])c1cn(CN(CCc2ccccn2)Cc2ccc(F)cc2)nc1-c1ccncc1 742147567 FEPIYKFOLBBZMT-UHFFFAOYSA-N 432.459 4.090 5 20 IIBD COc1cccc(C2(C(=O)O[C@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)CCCC2)c1 744991744 IBXVEWIBDSUCRK-CQSZACIVSA-N 430.432 4.125 5 20 IIBD C[C@@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 745330352 NDZMSTUYWACYRK-QGZVFWFLSA-N 434.448 4.287 5 20 IIBD O=C1C[C@@H](C(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)CN1Cc1ccccc1 745344762 NTUWHJXVQUWTHO-QGZVFWFLSA-N 427.888 4.040 5 20 IIBD C[C@@H](OC(=O)[C@@H](C)c1ccc(Br)s1)C(=O)Nc1cccc([N+](=O)[O-])c1 745642168 ZWHNCUULQCVJLB-VHSXEESVSA-N 427.276 4.093 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccc(Oc2ccccc2)o1 748913149 RNXVVPZFZOIUAF-ZDUSSCGKSA-N 426.381 4.173 5 20 IIBD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c(F)cc1F 748925615 DMJDKAKETLVOLF-SECBINFHSA-N 432.301 4.384 5 20 IIBD Cc1ccc([C@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)N(C)C)cc1 749418637 FMSOVZOJQHJQCA-INIZCTEOSA-N 440.725 4.352 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCC1(c2ccc(Br)cc2)CCOCC1 751252878 ZFBUBSBVNIHEEW-KMKOMSMNSA-N 445.313 4.235 5 20 IIBD Cc1cc(Sc2ncccn2)ccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 751282812 QDJOZPLWMFZZFR-UHFFFAOYSA-N 436.902 4.299 5 20 IIBD CCOc1ccc(C(C)=O)cc1COC(=O)c1cc([N+](=O)[O-])c(Br)cc1F 751690584 BBRIXYWSSPSZKF-UHFFFAOYSA-N 440.221 4.455 5 20 IIBD O=C(Nc1ccc(CCC(F)(F)F)cc1)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 753262009 KTPZGUIKDBRPCO-UHFFFAOYSA-N 441.318 4.021 5 20 IIBD CCOc1cc(COC(=O)[C@H]2CCCN(C(=O)Nc3cccc(C)c3)C2)ccc1[N+](=O)[O-] 755534633 DKBUAFSDEKQLKI-SFHVURJKSA-N 441.484 4.289 5 20 IIBD O=[N+]([O-])c1cn(CN2CCC[C@@H]2c2ccccc2Br)nc1-c1ccncc1 755924663 OCIPIMXOGWKVIS-QGZVFWFLSA-N 428.290 4.410 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Nc2cc3ccccc3nc2Br)cc1[N+](=O)[O-] 762503327 QGQSYMUDUFJKGL-UHFFFAOYSA-N 436.287 4.323 5 20 IIBD COc1ccc([C@H]2NC(=O)N(CC3CC3)C(C)=C2C(=O)Nc2cccc([N+](=O)[O-])c2)s1 763326481 MCAPKLQWJMWTCZ-LJQANCHMSA-N 442.497 4.054 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 763813131 GSKIAVRTLZBUDB-UHFFFAOYSA-N 430.398 4.022 5 20 IIBD CCOC(=O)c1cc(N2CCC(O)(c3ccccc3C(F)(F)F)CC2)ccc1[N+](=O)[O-] 764913715 KLGCDHTWZLOZBR-UHFFFAOYSA-N 438.402 4.278 5 20 IIBD COc1cccc(C(=O)Nc2ccc(NC(=O)CN3CCCCCCC3)cc2)c1[N+](=O)[O-] 766590637 IOJLPFBLVFMMIX-UHFFFAOYSA-N 440.500 4.060 5 20 IIBD CCS[C@@H](C)c1noc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)n1 766788643 FPRUXKOPKDPMAY-HNNXBMFYSA-N 447.561 4.300 5 20 IIBD Cc1ccc(Cc2nc(C(=O)O[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)cs2)cc1 768651449 IIOQFFKUUNYIOW-CQSZACIVSA-N 425.466 4.135 5 20 IIBD COc1cc(CS(=O)(=O)Cc2ccc(Cl)cc2C)c([N+](=O)[O-])cc1OC(F)F 768764073 NWGZFJRXMYLNTR-UHFFFAOYSA-N 435.832 4.282 5 20 IIBD C[C@H](OC(=O)c1ncoc1-c1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 770465990 KSXHSZUREVKVIC-JTQLQIEISA-N 433.779 4.226 5 20 IIBD Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 773288976 DJKCFKVHQPWAIL-UHFFFAOYSA-N 427.411 4.126 5 20 IIBD COC(=O)c1cc(S(=O)(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c(Cl)cc1Cl 773379344 TWAWDGJCJTWFMO-UHFFFAOYSA-N 433.269 4.106 5 20 IIBD COc1nc(C)c(Br)cc1C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 777115894 ZMKFRIMAFQVAPL-UHFFFAOYSA-N 448.229 4.081 5 20 IIBD O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 777947418 PUKHAEDGQHDIGQ-UHFFFAOYSA-N 433.798 4.189 5 20 IIBD Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)c1cc([N+](=O)[O-])c2nsnc2c1 778245526 IHLCAHMKXUZATE-UHFFFAOYSA-N 433.449 4.413 5 20 IIBD COc1cc(COC(=O)c2nc(Cl)ccc2Cl)c([N+](=O)[O-])cc1OCC(F)F 780057008 ULODSLSRAGCSNF-UHFFFAOYSA-N 437.182 4.306 5 20 IIBD CCC[C@@H]1C[C@H](C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCO1 780169183 MACNTXQXMOIKKQ-FRFSOERESA-N 447.513 4.184 5 20 IIBD O=C(O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccc2[nH]c3ccccc3c(=O)c2c1 781508426 PSLYKDSUFYFVHD-PMACEKPBSA-N 432.436 4.127 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCCc1nc(C2CCCCC2)cs1 781974143 JEAXAHCYLUIOKF-UHFFFAOYSA-N 432.502 4.299 5 20 IIBD O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 782377854 FLHVBERCNGZACH-IBGZPJMESA-N 435.402 4.084 5 20 IIBD Cc1ccc(N2CCNC2=O)cc1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 785461046 MEUQNYAIFJMUIG-UHFFFAOYSA-N 446.463 4.264 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 785639522 ZIAAPUJBYOXTRE-UHFFFAOYSA-N 430.329 4.119 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(Cc3c(F)ccc(Br)c3F)no2)cc([N+](=O)[O-])c1 789878027 PBTMDYDGPNNYHD-UHFFFAOYSA-N 441.144 4.185 5 20 IIBD C[C@@H](OC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1OC(F)F 790744431 UQFKEGCNCVAASS-SECBINFHSA-N 446.765 4.102 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)CC1 791038035 IILQTFMOCRFGAL-RMKNXTFCSA-N 429.517 4.248 5 20 IIBD CN(CCOc1ccccc1C(C)(C)C)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O 794879551 BHXQAIFBEXKOFJ-UHFFFAOYSA-N 436.512 4.084 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCC[C@H]1c1ccc(Br)c(F)c1 797576575 XCWOCNPYRANDHY-KRWDZBQOSA-N 447.264 4.210 5 20 IIBD O=C(NCC1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1)C(F)(F)F 798403336 VMOBUNBLMDMJIY-UHFFFAOYSA-N 433.736 4.162 5 20 IIBD CCCCOc1ccc([C@@H](C)NC(=O)C(=O)Nc2c(F)ccc([N+](=O)[O-])c2C)cc1OC 800599831 XVFMVWLJOMZEJQ-CQSZACIVSA-N 447.463 4.046 5 20 IIBD C[C@@H](CCCC(F)(F)F)NC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] 803201896 JLVZFDMLRCGCLW-JTQLQIEISA-N 426.233 4.031 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1cc(=O)c2ccc(F)cc2o1 808055449 NUMSUGHGPHNPCP-UHFFFAOYSA-N 432.363 4.324 5 20 IIBD CN(Cc1ccccc1N(C)C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 811544074 PNMJBSYUBASNKK-UHFFFAOYSA-N 426.698 4.349 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](c2ccc(F)cc2)CC1 812078476 HQAPHBBTVZGGCQ-KRWDZBQOSA-N 439.491 4.413 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC=C(c2ccccc2Cl)CC1 812147050 MNBWDNPYFZGRSC-UHFFFAOYSA-N 439.903 4.447 5 20 IIBD Cc1nc(COc2cccc(C(=O)OCc3cc([N+](=O)[O-])ccc3C(F)(F)F)c2)no1 815222457 JAUNLEIWXIOWDQ-UHFFFAOYSA-N 437.330 4.241 5 20 IIBD CC(=O)N1CCN(c2cccc(NCc3ccc(Br)cc3[N+](=O)[O-])c2C)C1=O 864027329 JOPLUOQKHKVHJC-UHFFFAOYSA-N 447.289 4.066 5 20 IIBD O=C(COC(=O)C1(c2ccc(F)cc2)CCC1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 869864603 WXKUYJPWGLRJIG-UHFFFAOYSA-N 440.349 4.356 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Oc1ccc(Br)cc1Cl 913072371 NLXSMDRVFLRJHY-UHFFFAOYSA-N 427.059 4.432 5 20 IIBD O=C(CCc1cccc(Br)c1)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 914798993 ZAVQVCJWDLVISJ-UHFFFAOYSA-N 432.230 4.083 5 20 IIBD C[C@@H](OC(=O)CCOc1ccccc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 914970546 WLHDPWYBOAXDSG-LLVKDONJSA-N 427.240 4.241 5 20 IIBD CCn1c(SC[C@@H](O)c2cc(OC)ccc2OC)nc2cc3ccccc3cc2c1=O 915058892 XDPFWKXNLCDJLW-OAQYLSRUSA-N 436.533 4.413 5 20 IIBD CN(C)C(=O)c1ccc(OC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 915156280 HZJINQSSVXVZIN-UHFFFAOYSA-N 428.388 4.013 5 20 IIBD C[C@@H](OC(=O)c1csc(Cc2ccccc2)n1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 915454494 OOAVSHTYFZYZOY-GFCCVEGCSA-N 445.884 4.480 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ccccc1[N+](=O)[O-] 915837357 SAIZFOAHPXMJNV-MRXNPFEDSA-N 441.396 4.062 5 20 IIBD C[C@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)Nc1ccc(Br)cc1 919514461 MBENKOODRITDSG-JTQLQIEISA-N 432.230 4.023 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1OC 1317729510 XOVLTTCABPZMJL-UHFFFAOYSA-N 425.441 4.163 5 20 IIBD Nc1c(C(=O)Nc2nc3cc(F)c(F)cc3s2)cc(Br)cc1[N+](=O)[O-] 1321440149 UNLFOHFHSHIPPC-UHFFFAOYSA-N 429.202 4.080 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nnc(CCCNC(=O)OC(C)(C)C)o1 1330053433 BXLBHSDSUZCYPA-LLVKDONJSA-N 426.857 4.229 5 20 IIBD CCCN(Cc1nc(O)c2sccc2n1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 1341523224 JOPUYOAETFNOAZ-UHFFFAOYSA-N 438.513 4.118 5 20 IIBD CCn1c(SCc2ccc([N+](=O)[O-])cc2Br)nc2ccsc2c1=O 1342933355 WJZIJKLQSRLLMO-UHFFFAOYSA-N 426.317 4.441 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)C3CCC(F)(F)CC3)CCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 1790184453 UJYGPHVJBAQZOM-UHFFFAOYSA-N 446.454 4.496 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)s1)c1ccc([N+](=O)[O-])cc1F 1795042967 NKUGEFNFEPNESU-ZSBIGDGJSA-N 437.880 4.014 5 20 IIBD Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CC2CCC(C)(C)CC2)ncc1[N+](=O)[O-] 1800232258 NKKUVMQJTIEOMR-REPLKXPHSA-N 442.560 4.157 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1Cl 1804343854 JSPLKPDAFLRHST-SQSUDPNUSA-N 439.899 4.213 5 20 IIBD COc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCC(C)C)[nH]n2)ccc1[N+](=O)[O-] 1823286653 DDZDYXOMOQFPDL-KRWDZBQOSA-N 443.504 4.069 5 20 IIBD CC(C)(C)CC(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])sc2C1 1828251286 GVYRNMMDHZOFEU-SHQCLWGWSA-N 442.541 4.113 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CC2(CCCN2C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)C1 1843934957 WKUYBOMPYDDIEX-ZVNFWLFNSA-N 441.528 4.011 5 20 IIBD Cc1ccc(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccccc3[N+](=O)[O-])C2)cc1Cl 1847057149 MEHFWMYKYXKEEZ-MDZDMXLPSA-N 439.899 4.087 5 20 IIBD Cc1ccccc1-c1noc(COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)n1 11278265 FOAQSRQARQGZLS-UHFFFAOYSA-N 425.444 4.257 5 20 IIBD Cc1ccc(C(=O)NCCN2C(=O)S/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1 14723352 VZJIOGSOCBJJAE-BOPFTXTBSA-N 445.884 4.023 5 20 IIBD C[C@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)Cc1nc2ccccc2s1 22548232 OUOXFXBEMUBZCF-NSHDSACASA-N 433.873 4.062 5 20 IIBD Cc1nnc(-c2ccccc2NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)o1 58183435 OWIAGAXXEQIDMM-UHFFFAOYSA-N 432.440 4.067 5 20 IIBD Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1S(=O)(=O)Nc1ccccc1 58225471 OVSGYHSMZNMKQI-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 64420997 MNIZJUGADJBUBN-KGLIPLIRSA-N 433.892 4.317 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@H]3CCCOc4ccc(F)cc43)cc2)c(C)c1[N+](=O)[O-] 65419177 ZSJURZXZMKQBDJ-FQEVSTJZSA-N 438.459 4.239 5 20 IIBD Cn1c(-c2ccco2)nn(CN(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)c1=S 108225919 DLLYBYXZCCZPNH-UHFFFAOYSA-N 427.408 4.141 5 20 IIBD O=c1c(Cl)c(N[C@@H]2CCCOc3c(F)cccc32)cnn1-c1ccc([N+](=O)[O-])cc1 302061561 RITHMAVAQMWXRJ-MRXNPFEDSA-N 430.823 4.259 5 20 IIBD C[C@@H](Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])[C@H](O)c1ccc(F)cc1 302515890 ACRSPMXXOWXMLO-SZNDQCEHSA-N 445.472 4.069 5 20 IIBD Cc1sc(CCNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 409664304 IHEBSHAIOKGWJN-UHFFFAOYSA-N 447.520 4.400 5 20 IIBD CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc(OC)ccc1[N+](=O)[O-] 410043126 GHNSPNGVTOKBNM-UHFFFAOYSA-N 426.256 4.011 5 20 IIBD Cc1cccc(C)c1OC[C@@H](NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C(C)(C)C 426050255 YWYJDRBJGSKDMJ-LJQANCHMSA-N 443.548 4.248 5 20 IIBD O=C(O)[C@H](NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1 426803555 NKWKOTIGOWVTSG-HSZRJFAPSA-N 444.447 4.069 5 20 IIBD CC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1ccccc1OC(F)F 427917678 ZHJVKRZCKXXLIF-OAHLLOKOSA-N 431.395 4.391 5 20 IIBD COC(=O)c1cc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc(Br)c1F 432363990 FHMLYWJSVUZFNR-UHFFFAOYSA-N 443.250 4.014 5 20 IIBD O=C(Nc1ccc(Cl)c(C(=O)NC2CC2)c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 436061630 HNZGIBJHOWQICH-UHFFFAOYSA-N 431.879 4.479 5 20 IIBD COc1ccc(S(=O)(=O)N(C)c2ccc(OCc3ccccc3)cc2)cc1[N+](=O)[O-] 436187545 ZHANECXJHDJVAN-UHFFFAOYSA-N 428.466 4.008 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2nnc(SCc3cc(O)ccc3[N+](=O)[O-])n2Cc2ccco2)C1 436474685 MLILGFGJEYSZPL-HUUCEWRRSA-N 443.529 4.308 5 20 IIBD CC(C)(C)Oc1c(F)cc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1F 437045898 LOISFYYANDLFLP-UHFFFAOYSA-N 447.438 4.180 5 20 IIBD O=C(c1ccc(S(=O)(=O)C2CCCC2)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437091256 KBDILFDNCBKGQD-UHFFFAOYSA-N 428.510 4.116 5 20 IIBD O=C(c1ccc(S(=O)(=O)c2ccccc2)s1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437476603 VPMQCBAOFXEBNY-UHFFFAOYSA-N 442.518 4.294 5 20 IIBD COc1cccc([C@H](CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)N2CCCC2)c1 437702292 ZJPZJEIFRLRYPC-QHCPKHFHSA-N 438.528 4.115 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1Br 438794898 WOEUBBIEHZDLIQ-UHFFFAOYSA-N 437.218 4.068 5 20 IIBD O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1C[C@@H](n2cccn2)Cc2ccccc21 439257724 LNESKPAOZGHBSV-IBGZPJMESA-N 425.448 4.298 5 20 IIBD Cc1cc(C(=O)N(C[C@H]2CCN(Cc3ccccc3)C2)CC(F)(F)F)ccc1[N+](=O)[O-] 440441937 SQWAPXAPCPAXSP-SFHVURJKSA-N 435.446 4.430 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN[C@H](c1cccc(Cl)c1)c1ccccn1 441047084 OKEDSZVPXRVFLJ-OAQYLSRUSA-N 438.871 4.320 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)c1ccc(OCc2ccccc2)cc1 444469853 YDLJKWMHDPLFQF-FQEVSTJZSA-N 437.500 4.069 5 20 IIBD Cc1cscc1-c1noc(-c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)n1 445631763 KRESOYSWMRELHR-UHFFFAOYSA-N 442.478 4.483 5 20 IIBD COC(=O)c1cc(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])ccc1OC 447689263 KSLGZASSSFIKMJ-UHFFFAOYSA-N 435.305 4.051 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc([C@@H]2CCOC2)n1CCc1ccccc1 460414887 YMDPOQZWEQSMSD-OAQYLSRUSA-N 435.528 4.348 5 20 IIBD COc1ccccc1[C@@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 461582834 JYEQNMQEUVLQDY-UWJYYQICSA-N 449.511 4.240 5 20 IIBD COc1cc(CSc2nnc(CN3CCCC3)n2-c2ccccc2)c([N+](=O)[O-])cc1F 463388065 CMQUYMYQTLHIOU-UHFFFAOYSA-N 443.504 4.211 5 20 IIBD O=C(NC1(c2cccc(F)c2)CCOCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 464552050 DVGLESGCUHBKQT-UHFFFAOYSA-N 427.457 4.293 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(CCc3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 464783297 IZGXPNJFIARKRL-UHFFFAOYSA-N 428.876 4.384 5 20 IIBD CCOc1cc(NC(=O)N[C@@H]2C[C@]2(C)c2ccccc2OC)c([N+](=O)[O-])cc1OCC 466048489 IDMKPPKBUXKRCS-IFMALSPDSA-N 429.473 4.253 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 466273225 QOOUPXZEZVHBEM-CYBMUJFWSA-N 442.825 4.195 5 20 IIBD Cc1sc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)nc1-c1ccc2c(c1)CCC(=O)N2 466625097 KFJBZXLPIIFBOY-UHFFFAOYSA-N 436.493 4.401 5 20 IIBD COC(=O)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1OC(C)C 466680837 YKOFXSVEHUKDCW-UHFFFAOYSA-N 426.347 4.440 5 20 IIBD COc1ccc([C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c2ccccc2OC)cc1 467043274 FNLUWVGHQNRQEX-HXUWFJFHSA-N 448.522 4.050 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)NCC2CC2)cc1)c1cc2ccccc2c2cccnc12 469616153 WGZHWZRHQOYSMH-UHFFFAOYSA-N 431.517 4.329 5 20 IIBD COc1cc(OC)c2cc(CCCNC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)[nH]c2c1 470917935 OHANKBFDJPFEDZ-UHFFFAOYSA-N 431.876 4.038 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CC[C@@]2(C1)OCc1ccccc12 472022040 NQPZLDNPDIJEIJ-VWLOTQADSA-N 429.476 4.479 5 20 IIBD CN(CC(=O)Nc1cccc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 475197750 VGRJRXDZZOCJBP-UHFFFAOYSA-N 430.770 4.369 5 20 IIBD O=C(c1ccc(SC2CC2)cc1)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 478088122 QYSHAIPMYSTNCH-UHFFFAOYSA-N 437.525 4.078 5 20 IIBD CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 479623498 POBAZYBXIWHADG-VOJFVSQTSA-N 441.709 4.446 5 20 IIBD C[C@H]1CCSCCN1C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 484943645 GWLZJWXDYMOKIH-LBPRGKRZSA-N 437.568 4.100 5 20 IIBD CSc1cccc(C(=O)N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)c1[N+](=O)[O-] 486225210 BWINUZIBNCAADM-LBPRGKRZSA-N 441.431 4.224 5 20 IIBD C[C@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 486445111 LGILZEYJDMCIMS-ZYSBOAIWSA-N 438.505 4.402 5 20 IIBD COC(=O)c1cc(NC(=O)NCCc2coc(-c3ccc(C)cc3)n2)c(C)c([N+](=O)[O-])c1 486875958 XSWMHEPVJBBFQB-UHFFFAOYSA-N 438.440 4.017 5 20 IIBD CCN(CC)CCCC1CCN(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)CC1 486878638 IXOYDCUKKHDQLV-UHFFFAOYSA-N 434.537 4.056 5 20 IIBD Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 487007404 QMMVWQRBBXJUAC-UHFFFAOYSA-N 449.389 4.251 5 20 IIBD CN(Cc1ccc([S@@](C)=O)cc1)c1c([N+](=O)[O-])cnc2ccc(Br)cc12 487642280 RICWVIUBFNPXLP-AREMUKBSSA-N 434.315 4.279 5 20 IIBD COc1cc(C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)cc(Cl)c1OCC(C)C 490399549 ORNHOVNTLBZUFI-UHFFFAOYSA-N 445.863 4.329 5 20 IIBD COc1ccc([C@H](NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])c2ccc(C(F)(F)F)cc2)cc1 492005509 ZVDWEEHNZIWHAZ-MRXNPFEDSA-N 434.374 4.173 5 20 IIBD CCOC(=O)c1c(C(C)C)csc1NC(=O)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 493905604 ILZRFNRZQKVKIO-ZDUSSCGKSA-N 447.513 4.081 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](CO)Cc1ccccc1C(F)(F)F 494006886 MHCFIRVBEMXXRY-AWEZNQCLSA-N 425.407 4.203 5 20 IIBD C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cc([N+](=O)[O-])ccc1SCCO 497859232 FFGZIVNBVSBWMW-LLVKDONJSA-N 429.325 4.347 5 20 IIBD Cc1occc1C(=O)Nc1cc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)ccc1F 498427144 FGMLOIIRKFOAPY-UHFFFAOYSA-N 436.399 4.481 5 20 IIBD Cc1cn(-c2ccc(Cl)cc2)nc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 499505300 MIKVRXKDXVGKRP-UHFFFAOYSA-N 427.269 4.197 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@@H]3CC(C)C)cc2)cc1[N+](=O)[O-] 500176243 DSMRFEXORNSJDZ-LJQANCHMSA-N 445.541 4.355 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@H](Oc2ccccc2Cl)C1 502255622 NEIHZGAJQBBUMS-AWEZNQCLSA-N 439.693 4.233 5 20 IIBD CCC[C@H]1C[C@H](C(=O)N(CCOC)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CCO1 502568007 GQDZJTCKRPQPSO-AEFFLSMTSA-N 433.530 4.293 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2OC2CCCC2)cc1OC 502619914 RQCPRPDAUCFJHZ-UHFFFAOYSA-N 430.457 4.202 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C)cc1N1CCOCC1 503419890 PPXPFBJOPXIOTO-UHFFFAOYSA-N 429.542 4.172 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1 503688225 KTRGXCKCIULLNK-UHFFFAOYSA-N 441.846 4.352 5 20 IIBD Cc1ccc(-c2csc(NC(=O)C(=O)c3cnn(-c4ccccc4)c3)n2)cc1[N+](=O)[O-] 504765167 NBPNMNJJGMZJMJ-UHFFFAOYSA-N 433.449 4.034 5 20 IIBD CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 505493167 BFNKHTCIRSMVKZ-UHFFFAOYSA-N 434.477 4.487 5 20 IIBD Cc1csc(-c2ccc(NC(=O)c3nn(-c4ccccc4[N+](=O)[O-])c(C)cc3=O)cc2)n1 506129966 DLHHNQJJVSTUCD-UHFFFAOYSA-N 447.476 4.133 5 20 IIBD O=C(NCCCNc1ccc([N+](=O)[O-])c2cccnc12)c1cccc(Br)c1 507022201 NWSLLCQSQMJUAN-UHFFFAOYSA-N 429.274 4.138 5 20 IIBD C[C@H](c1cccc(Br)c1)[S@](=O)CCC(=O)Nc1ccccc1[N+](=O)[O-] 507683410 KQGHPENWCWWXOF-XELLLNAOSA-N 425.304 4.196 5 20 IIBD O=C(Nc1cccc(Br)c1)C1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 507895449 SKPCBKOORQPWDH-UHFFFAOYSA-N 436.281 4.347 5 20 IIBD CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] 508028340 JBRYRQRNVDVAMF-UHFFFAOYSA-N 431.283 4.016 5 20 IIBD CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)C1 508802202 PZPWOILIKXDNRV-CZUORRHYSA-N 430.530 4.250 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCC[C@@H](CN3CCCC[C@@H]3C)C2)cc1[N+](=O)[O-] 510475611 HXZMVNQMUJSOKV-HOCLYGCPSA-N 438.366 4.392 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 510894872 ODHAVALLIYSMGK-CYBMUJFWSA-N 448.306 4.336 5 20 IIBD C[C@@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cccc([N+](=O)[O-])c1 512093033 XOHQRCIPNNXWBT-RDTXWAMCSA-N 436.434 4.248 5 20 IIBD CCCc1c(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[nH]c(C)c1C(C)=O 512445603 CNWXOJCPSWPYKD-UHFFFAOYSA-N 440.422 4.247 5 20 IIBD COc1cc(CSc2nnc(-c3cccnc3)n2C2CC2)c([N+](=O)[O-])cc1OC(F)F 514723231 QEGMFHIHGDYUIJ-UHFFFAOYSA-N 449.439 4.486 5 20 IIBD COc1ccc([C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccc(C)cc2)cc1 516739009 QIRCREITEAWTNB-QFIPXVFZSA-N 433.464 4.065 5 20 IIBD O=C(Nc1ncc(Cc2ccc(F)cc2F)s1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 517699822 XPVUCXBTMUVRLA-UHFFFAOYSA-N 441.419 4.358 5 20 IIBD CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 518698112 XZTZNVLYAKXFFW-CQSZACIVSA-N 445.324 4.056 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 519034122 QXXIODZXPQZMPQ-HNNXBMFYSA-N 435.484 4.437 5 20 IIBD Cc1cc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)c2cc(Br)ccc2n1 521001642 FUVVUDGKQBCEGH-UHFFFAOYSA-N 430.258 4.023 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] 523321306 CRRFMDXMFKXSGP-FQEVSTJZSA-N 427.526 4.046 5 20 IIBD COc1ccc(-c2nsc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Br)n2)cc1 530793775 PUUAAYYBRMGRTR-UHFFFAOYSA-N 449.286 4.066 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N(Cc2ccc(O)cc2)Cc2ccco2)c([N+](=O)[O-])c1 534180950 VXFGRTYKRQPIRD-UHFFFAOYSA-N 432.436 4.065 5 20 IIBD CC[C@@H](C)n1ncc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)c1C1CC1 534980684 XIAFZPFWDRZJAN-CQSZACIVSA-N 433.534 4.168 5 20 IIBD CNc1ccc(C(=O)Nc2cc(C)n(CCCOc3ccc(F)cc3)n2)cc1[N+](=O)[O-] 535054314 OTIFHTYSHVXXNJ-UHFFFAOYSA-N 427.436 4.002 5 20 IIBD NC(=O)c1ccc(NCc2ccccc2)c(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1 535957240 SJTJTEWCJMHPOA-UHFFFAOYSA-N 429.436 4.039 5 20 IIBD CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 537698680 WAERBCDSIYPFDO-QGZVFWFLSA-N 449.941 4.332 5 20 IIBD Cc1ccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c(OCC(=O)N(C)C)c1 538825827 WGXLOZFWVOFAEV-UHFFFAOYSA-N 426.498 4.106 5 20 IIBD O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CCC[C@H]1c1ccc2c(c1)OCCO2 539036700 KJXHUGWYDLGTBK-IBGZPJMESA-N 431.448 4.405 5 20 IIBD Cc1ccc(NCCCNC(=O)c2ccc(-c3noc(C(F)F)n3)cc2)c([N+](=O)[O-])c1 540529694 KJQHEOJYWQZXBD-UHFFFAOYSA-N 431.399 4.123 5 20 IIBD CS(=O)(=O)c1cc(C(=O)Nc2ccccc2Nc2ccc(F)cc2)cc([N+](=O)[O-])c1 540796074 QSOPTWRXACTVQI-UHFFFAOYSA-N 429.429 4.133 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 542016224 HTAFCEPIOGGOTH-WCQYABFASA-N 445.829 4.128 5 20 IIBD CC(C)Cn1c(SC[C@@H](O)COc2ccccc2[N+](=O)[O-])nnc1-c1ccccc1F 542191553 UPNHTZNBBLUWHF-HNNXBMFYSA-N 446.504 4.180 5 20 IIBD O=C(NC[C@@H](O)COc1ccccc1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 543580313 ABLHQZPERPXLAW-GOSISDBHSA-N 430.526 4.047 5 20 IIBD C[C@@H](NC(=O)CSc1ccccc1[N+](=O)[O-])[C@@H](OC1CCOCC1)c1ccccc1 544089246 CMURULFSYJUGCP-OPAMFIHVSA-N 430.526 4.129 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3Cn3cccn3)no2)c(Br)c1 544981893 GDQZVNRSULOFSP-UHFFFAOYSA-N 426.230 4.319 5 20 IIBD Cn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nc2cc([N+](=O)[O-])ccc2c1=O 545819859 KDRJNHHCAUADHW-UHFFFAOYSA-N 431.473 4.484 5 20 IIBD O=C1C[C@@H](c2noc(-c3csc(-c4ccc([N+](=O)[O-])cc4)n3)n2)CN1c1ccccc1 546417725 IYZPGDLTLCKQJV-CQSZACIVSA-N 433.449 4.289 5 20 IIBD Cn1ccnc1[C@H](NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccc([N+](=O)[O-])cc1 552040712 QYKGJKNIOLJEGK-FGZHOGPDSA-N 439.947 4.498 5 20 IIBD COc1cccc(OC(F)(F)F)c1CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 552381586 VYWJRYHWGUTEQE-UHFFFAOYSA-N 438.280 4.451 5 20 IIBD CC[C@@H]1CCCC[C@@H]1c1noc([C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 560048345 HBQNEYQTVMYVPA-JLSDUUJJSA-N 434.518 4.187 5 20 IIBD CC(C)OCCCN(C)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 562103560 SIHYWIGROPSQCU-UHFFFAOYSA-N 436.512 4.264 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCN(C4CCCC4)CC3)n2Cc2cccs2)c1 565111437 PDRTUGVUEFSRGY-UHFFFAOYSA-N 438.557 4.028 5 20 IIBD C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 566966313 PCNORPDIRDCLJF-FPTDNZKUSA-N 446.419 4.208 5 20 IIBD O=C(NCc1cnc(-c2ccc(Cl)cc2)s1)c1cc([N+](=O)[O-])cc2c1OCCO2 569388777 BVLPNZPUFSGJQU-UHFFFAOYSA-N 431.857 4.073 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2cccc(F)c2I)n1 573553260 HMBAHRRJUOUEAV-UHFFFAOYSA-N 425.157 4.364 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(CSC2CCOCC2)c1 579297475 WTZRUGSECREWOO-UHFFFAOYSA-N 443.525 4.147 5 20 IIBD Cn1c(C2CC2)nc2cc(CNC(=O)Cn3c4ccccc4c(=O)c4ccccc43)ccc21 580219526 PJYNSJPGCIWXBS-UHFFFAOYSA-N 436.515 4.235 5 20 IIBD COC[C@@H](NC(=O)N(C)CCc1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 588358631 HTUUHNHPQBUTND-QGZVFWFLSA-N 425.407 4.185 5 20 IIBD CC(C)CN(CCc1ccc(F)cc1)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 603524626 OPHBIFPBXQKWKH-UHFFFAOYSA-N 443.475 4.149 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1C[C@@H]1c1cccc(Br)c1 608809415 HOGKZGWMRIFFID-COLVAYQJSA-N 439.693 4.450 5 20 IIBD COc1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1O 608837258 PGNOLNAIRSTVMY-UHFFFAOYSA-N 430.464 4.452 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)N1CC[C@@H](N2CCCC2)C1 608910156 XIARQCLUQWNJOV-WIYYLYMNSA-N 428.920 4.098 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCc2[nH]c3c(Br)cccc3c2C1 609197143 NIQRCVLISCGVMS-UHFFFAOYSA-N 443.301 4.144 5 20 IIBD O=C(Nc1cc(C2CCCC2)nn1-c1ccccc1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 609443611 KUWXOKGPEBFOEB-UHFFFAOYSA-N 443.467 4.271 5 20 IIBD CC(C)(C)C(=O)N1CCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 609781001 JGZUHQKEXGURHP-UHFFFAOYSA-N 426.473 4.109 5 20 IIBD O=C(Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1)[C@@H]1COc2ccccc2C1 609817106 NFEQNQKCWHLWJH-INIZCTEOSA-N 430.420 4.230 5 20 IIBD CC[C@H](NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(F)cc1F 610006683 YFINBHBBOBMRIV-ZDUSSCGKSA-N 435.246 4.065 5 20 IIBD COc1cccc(CC2CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)CC2)c1 612217980 YBVWCJIAOJAPJF-UHFFFAOYSA-N 433.302 4.461 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 612281431 RNQLENDUXJGOFH-GFCCVEGCSA-N 441.887 4.261 5 20 IIBD C[C@@](CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)(C(=O)O)c1ccccc1 619644372 SBAPIEMGBNTDIB-QFIPXVFZSA-N 428.510 4.402 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(c3ccc([N+](=O)[O-])c4cccnc34)CC2)c(C(F)(F)F)c1 727433469 YNBMLNGJXWPONN-UHFFFAOYSA-N 447.373 4.397 5 20 IIBD CN(C)c1c(Cl)cccc1NC(=O)c1ccc(I)c([N+](=O)[O-])c1 727748766 FXAUQFHMERBASV-UHFFFAOYSA-N 445.644 4.171 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@@H]1CCc2ccc(Cl)cc21 727963465 SRCLTGUWYLOYLA-RBUKOAKNSA-N 448.928 4.330 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1 728061129 QETQTKPBGCFDSY-UHFFFAOYSA-N 436.917 4.317 5 20 IIBD C[C@@H](NC(=O)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 729596512 IZGBHPZSGUEDFE-DIFFPNOSSA-N 431.798 4.059 5 20 IIBD Cc1ccc(NC(=O)c2ccc(I)c([N+](=O)[O-])c2)c2cccnc12 730470210 BUHNFVZJOKSPCF-UHFFFAOYSA-N 433.205 4.308 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(I)c([N+](=O)[O-])c1 730494061 MNKLKFKAQZLHRJ-UHFFFAOYSA-N 447.572 4.013 5 20 IIBD CC[C@H](C)c1ccccc1OCC(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730708485 OLSRVPSSBGUZRY-ZWKOTPCHSA-N 440.496 4.335 5 20 IIBD O=C(NCc1ccc(-n2cnc3ccccc32)cc1)c1cc([N+](=O)[O-])ccc1N1CCCC1 733169403 ZJDDOGNBOZLFFV-UHFFFAOYSA-N 441.491 4.464 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](CCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 733328620 WPUJVDFCDQSORW-HNNXBMFYSA-N 432.546 4.455 5 20 IIBD O=C(OCc1cc(Cl)cc2cccnc12)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 733559235 PDZCURDSCXUJGQ-HNNXBMFYSA-N 445.884 4.206 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cccc(-n3cccn3)c2)cc1)c1cccc([N+](=O)[O-])c1 734990520 WGECUTJWEKRZBL-UHFFFAOYSA-N 428.404 4.252 5 20 IIBD O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@H](OC1CCCC1)c1ccccc1 735350607 YSTWWUVBKSHFAI-NRFANRHFSA-N 440.452 4.137 5 20 IIBD CC(C)COC(=O)N1CCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 735367919 FKDLIZWZWIJESJ-UHFFFAOYSA-N 442.472 4.329 5 20 IIBD O=c1c2ccccc2nc(SCc2cc([N+](=O)[O-])ccc2Cl)n1C[C@H]1CCCO1 735416214 YEHDRJWYYHIVLJ-OAHLLOKOSA-N 431.901 4.429 5 20 IIBD CCOCCOCc1cccc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1C 744797320 XNKLCLYCLPIMCD-UHFFFAOYSA-N 431.445 4.234 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])ccc1NC(=O)CC(C)C 745298812 XCBFTZTUMZHQHV-UHFFFAOYSA-N 447.875 4.337 5 20 IIBD C[C@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(Cc2cc(Cl)ccc2[N+](=O)[O-])C1=O 746048305 AROVEKCWMLNHHU-QGZVFWFLSA-N 427.766 4.234 5 20 IIBD O=C(COC(=O)c1ccc(Oc2ccccc2Cl)nc1)Nc1cc([N+](=O)[O-])ccc1F 747029500 IPTBROMKIRVVPV-UHFFFAOYSA-N 445.790 4.370 5 20 IIBD Cc1ccccc1[C@H](OC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1cccs1 748504519 DGKGKPBQBSSFPC-IBGZPJMESA-N 431.491 4.315 5 20 IIBD O=C(NC[C@@H]1CCCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1)Nc1cccc(F)c1 749961019 XPVIPRYRRPPUPG-ZDUSSCGKSA-N 434.855 4.061 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[C@H](Cc2ccc(F)cc2)C1 755007798 WWAQEQIWRULGLG-GFCCVEGCSA-N 425.229 4.340 5 20 IIBD COc1cc(NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc(OC)c1OC 755031105 SLKSCDQMBRSHRM-UHFFFAOYSA-N 426.223 4.027 5 20 IIBD CC(=O)N[C@@H](CC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 755371494 WDGZGLYNJDSMHD-HNNXBMFYSA-N 440.681 4.217 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@H](O)c1cc(Cl)cc(Cl)c1 755386078 VXYOWJIXHZBYNM-HNNXBMFYSA-N 448.100 4.056 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N(Cc1ccccc1)C[C@H](O)c1ccsc1 757081901 LWHFNOIYPPHSPA-QFIPXVFZSA-N 448.504 4.218 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc2nc(Cc3ccccc3)oc2c1 757772896 CWYOGRVVBATIOI-UHFFFAOYSA-N 427.420 4.315 5 20 IIBD CC(C)C(=O)Nc1ccc(Cl)c(C(=O)O[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 759949661 OKRPTIWSLMKQBJ-DLBZAZTESA-N 434.880 4.380 5 20 IIBD CC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c1 761965059 IAZDNMLKAVLZMU-UHFFFAOYSA-N 433.667 4.014 5 20 IIBD COCCCNC(=O)c1c(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)sc2c1CCCC2 762964169 ZAMGONXJOIDUEQ-AWEZNQCLSA-N 445.541 4.044 5 20 IIBD C[C@H](OC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 763421816 XEVRRPKFXLHKPC-CABCVRRESA-N 426.469 4.498 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 765062375 TVDPOLZMWPLLGB-FUHWJXTLSA-N 442.516 4.308 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC(O)(c2ccccc2Cl)CC1 765603228 UPBKXOXBHHSFRM-UHFFFAOYSA-N 439.693 4.135 5 20 IIBD CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccccc1NC(=O)c1c([N+](=O)[O-])cnn1C 766873950 VEFJTUSWFLQTQU-VCBZYWHSSA-N 428.489 4.198 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 770010217 OZIFKRVHVJHWPE-INIZCTEOSA-N 427.791 4.455 5 20 IIBD COc1ccccc1COC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 770242162 KOFPOWJYKGQQSL-UHFFFAOYSA-N 439.512 4.025 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CC[C@]2(C1)OCc1ccccc12 771502587 AKQIXNXACDVUQK-GOSISDBHSA-N 437.677 4.282 5 20 IIBD C[C@H](C[C@@H](O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 771917519 QFVJVWDZSWLLMQ-OPAMFIHVSA-N 441.509 4.320 5 20 IIBD Cc1cc(C(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)c2cnn(C(C)C)c2n1 773381801 LNFDNVOLAZAOBQ-UHFFFAOYSA-N 433.262 4.348 5 20 IIBD CC(=O)N1CCCCC[C@H]1C1CCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 774636105 LDZIZOFXJBBNAE-FQEVSTJZSA-N 433.940 4.059 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])C1CC1 774678457 VFAQKBKYGCYUHO-NSHDSACASA-N 440.369 4.359 5 20 IIBD C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776135184 RJJLYWGAXQHMJL-BEFAXECRSA-N 429.473 4.125 5 20 IIBD COC(=O)CC(C)(C)CC(=O)Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1 776180280 LHZYJXAFRHCOLS-UHFFFAOYSA-N 439.420 4.253 5 20 IIBD O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 776775220 QVQPNWNIQUQWHW-CQOQZXRMSA-N 430.508 4.434 5 20 IIBD COc1cc(COC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c([N+](=O)[O-])cc1OCC(F)F 780078512 NFTNBCAOZBVESR-UHFFFAOYSA-N 446.746 4.166 5 20 IIBD O=C(Oc1ccc(N2CCCC2=O)cc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 780269138 PTJABHXCBXHEKA-UHFFFAOYSA-N 434.398 4.306 5 20 IIBD Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)OCc3ccc([N+](=O)[O-])c(F)c3)c12 782289773 VRIRTMFURMEYPM-UHFFFAOYSA-N 426.429 4.410 5 20 IIBD CSc1ccccc1NC(=O)CN(C)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 784067651 TWKDVHQSBPPAGP-UHFFFAOYSA-N 444.391 4.319 5 20 IIBD CCCC[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br 784705458 YMNRKHAVTPWDNO-TZMCWYRMSA-N 426.311 4.079 5 20 IIBD Cc1nc(SCC(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2c(C)c(C)sc2n1 791456725 UXQHVKYKUXNODC-UHFFFAOYSA-N 448.482 4.268 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccc3cncn3c2)c2ccccc2)c([N+](=O)[O-])c1 792570186 DOLJNZYTWMEEBE-NRFANRHFSA-N 430.420 4.088 5 20 IIBD CC(C)n1cnnc1-c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F 795329997 IVLCQKSMSOEXER-UHFFFAOYSA-N 439.856 4.028 5 20 IIBD Cc1ccc(-c2nn(CN(C)CCc3ccccc3[N+](=O)[O-])c(=O)c3ccccc23)cc1 795645299 TWHSYQOIDGTQIU-UHFFFAOYSA-N 428.492 4.412 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1OS(=O)(=O)c1cc(Cl)ccc1Br 797449675 ABVAVZKNAMOQBL-UHFFFAOYSA-N 427.059 4.432 5 20 IIBD C[C@@H](OC(=O)Cc1coc2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 803722814 FSIRQWJWPAUHNO-LLVKDONJSA-N 436.342 4.473 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H](C)c1ccc(Oc2cccnc2)cc1 807542412 SSZONVOSLMMVQH-CQSZACIVSA-N 438.415 4.046 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H](O)c2cc3ccccc3s2)c(Cl)cc1Cl 809825779 MHZSCCHXCMTJBP-ZDUSSCGKSA-N 447.321 4.128 5 20 IIBD CC[C@@H]1[C@@H](c2nc(Cc3cc(OC)ccc3[N+](=O)[O-])no2)CCN1C(=O)OC(C)(C)C 810309637 ZMSASJUPFUSBPJ-JKSUJKDBSA-N 432.477 4.080 5 20 IIBD CCc1nnc(NC(=O)[C@H](C)[C@H](C)NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])s1 811505583 FSYLSHKTEDOTAJ-BDAKNGLRSA-N 432.333 4.068 5 20 IIBD Cc1nc(-c2cccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(F)c([N+](=O)[O-])c4)C3)c2)cs1 878880422 YURFOUAWKYNCIA-CQSZACIVSA-N 440.456 4.157 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OCc2nc(-c3ccco3)no2)cc1 915250047 QGFBMQSTAOLKNX-UHFFFAOYSA-N 437.364 4.396 5 20 IIBD C[C@H](OC(=O)c1cccc(NC(=O)C2CCCCC2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 915435826 KRJIQHXLWLNJHC-HNNXBMFYSA-N 439.468 4.298 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)NC(=O)CCc2ccc3ccccc3c2)cc1[N+](=O)[O-] 917416293 OFQGSPBAOLBPMF-UHFFFAOYSA-N 432.885 4.148 5 20 IIBD CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cn1 918632184 DJOYLBXRARJCQT-IBGZPJMESA-N 441.484 4.019 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cc1OC 918907271 XMGBSISZQKADKJ-GFCCVEGCSA-N 445.403 4.418 5 20 IIBD C[C@H](Cc1ccc(F)cc1)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 921001119 NUADRPLRDKCSCO-CQSZACIVSA-N 439.409 4.280 5 20 IIBD CS(=O)(=O)Cc1cccc(CNCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c1 1116017758 ZXWIFDGKSYRZAI-UHFFFAOYSA-N 434.901 4.343 5 20 IIBD COc1cccc(-c2nc(CSc3ccc([N+](=O)[O-])c(S(C)(=O)=O)c3)cs2)c1 1319452241 TUWDKLJSESIBFH-UHFFFAOYSA-N 436.536 4.423 5 20 IIBD COc1ccc(-c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3OC)ccc2OC)cc1 1322454460 BJZHSFLVNCCVHP-UHFFFAOYSA-N 444.465 4.088 5 20 IIBD CCn1c(SCc2nc(-c3cc(C)c([N+](=O)[O-])cc3C)no2)nnc1-c1ccco1 1323917724 ZHSISUSBLKZWOG-UHFFFAOYSA-N 426.458 4.425 5 20 IIBD O=C(c1ccc(Cl)cc1)N1CCC[C@@H](c2nnc(COc3ccccc3[N+](=O)[O-])o2)C1 1328232205 NPDWEXWLBURKOW-OAHLLOKOSA-N 442.859 4.230 5 20 IIBD COCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CCC2)cc1 1787734864 JSEZFIDPZNMCHK-UHFFFAOYSA-N 439.493 4.204 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])NC1(c2ccc(NC(=O)[C@H]3C[C@@H]3F)cc2)CCC1 1791166687 MVDAQJMFFMWGQE-IRXDYDNUSA-N 443.500 4.179 5 20 IIBD Cc1nc[nH]c1C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])cc2)CCC1 1792317681 FMQTVVLDWHGTSU-KPKJPENVSA-N 445.479 4.087 5 20 IIBD Cc1ccc(/C=C/C(=O)N2CCC3(CCCN(C(=O)c4ccc([N+](=O)[O-])o4)C3)CC2)s1 1804649516 AKDJLLSNNHYFPB-FNORWQNLSA-N 443.525 4.116 5 20 IIBD Cc1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3CCCC3)[nH]n2)cc1[N+](=O)[O-] 1820919384 SXGSUTWEAZQVTP-IBGZPJMESA-N 439.516 4.051 5 20 IIBD C[C@@H]1CCC[C@H]1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1828488127 UOFPFEAVZLIJSY-PERKRYKHSA-N 445.535 4.403 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC2(CCCN2C(=O)c2cccc(F)c2)C1 1844898502 SPBIUONHUCAICZ-UHFFFAOYSA-N 439.468 4.079 5 20 IIBD COc1cc(CCNC(=O)c2ccc(-c3ccccc3Cl)o2)c([N+](=O)[O-])cc1OC 16143763 RDVDBSBFZGXVMB-UHFFFAOYSA-N 430.844 4.498 5 20 IIBD O=[N+]([O-])c1ccc(Sc2nnnn2-c2ccc(OC(F)(F)F)cc2)c2ccncc12 22814893 GNOAUUHTLQTWEH-UHFFFAOYSA-N 434.359 4.169 5 20 IIBD Cc1cc2nnc(SCC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])n2c2ccccc12 28422389 OANNXOKIAJFFFB-UHFFFAOYSA-N 427.873 4.483 5 20 IIBD Cc1nc(C2(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)CCCCC2)no1 29058017 DFBJBUSQKSKYIW-UHFFFAOYSA-N 427.505 4.112 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1)CCC2)c1ccccc1[N+](=O)[O-] 31716259 RHEXEERRDCTCHD-IERDGZPVSA-N 440.496 4.050 5 20 IIBD CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cc([N+](=O)[O-])ccc1OC 61206284 MDRJTOPZTDUOOX-UHFFFAOYSA-N 430.848 4.359 5 20 IIBD CCOc1ccc([C@H](NC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C(C)C)cc1OCC 61995074 ZTCPQHNAVUYIAT-OAQYLSRUSA-N 443.500 4.153 5 20 IIBD Cc1c(NC(=O)C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cccc1[N+](=O)[O-] 62000703 NHKBLEVCBUKFEE-UHFFFAOYSA-N 436.449 4.028 5 20 IIBD CCCOc1c(Br)cc(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1OC 115132389 AAPUFQWKANPIEC-UHFFFAOYSA-N 439.262 4.416 5 20 IIBD O=C(NCCCCN1CCN(c2ccccc2)CC1)c1cc2cc([N+](=O)[O-])ccc2s1 117486221 KBLLKLOPVFTTMV-UHFFFAOYSA-N 438.553 4.142 5 20 IIBD COc1ccc(CNCCc2cn3ccccc3n2)cc1OCc1ccc([N+](=O)[O-])cc1 237394638 FOBMJSIITVEAGS-UHFFFAOYSA-N 432.480 4.162 5 20 IIBD COC(=O)c1cc(N(C)CC(=O)Nc2c(Cl)cccc2Cl)cc(C)c1[N+](=O)[O-] 301700976 SOZJHHHGJUGNSE-UHFFFAOYSA-N 426.256 4.072 5 20 IIBD C[C@H]1C[C@H](C)CN(Cc2ccccc2CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 301919535 CFKGNYWUAPCIBE-GJZGRUSLSA-N 437.587 4.150 5 20 IIBD CCCOc1ccc(NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1Cl 303397451 PYADBKZZOUNMIB-UHFFFAOYSA-N 426.256 4.059 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(-c2n[nH]c(C3CC3)n2)cc1 427605592 BAFCZORATHYMBG-UHFFFAOYSA-N 431.374 4.206 5 20 IIBD COc1cccc(C(=O)Nc2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)ccc2C)c1[N+](=O)[O-] 435560077 LJTPAFHHOCRAPH-GJZGRUSLSA-N 425.485 4.282 5 20 IIBD COc1cc(C(=O)N(C)Cc2cc(C)ccc2F)c([N+](=O)[O-])cc1OCc1cscn1 436074028 JYQUDSZSFCIXCD-UHFFFAOYSA-N 445.472 4.359 5 20 IIBD O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 437061158 UYZPKGMHVJUCRX-UHFFFAOYSA-N 441.793 4.397 5 20 IIBD CCOC(=O)[C@H](C)NC(=O)c1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 437252682 RMIURRSHGLVWHI-HNNXBMFYSA-N 437.452 4.148 5 20 IIBD O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437755876 UAXXNOGWUUODSK-UHFFFAOYSA-N 436.443 4.140 5 20 IIBD O=C(NC[C@H]1CCCN1C1CCCCC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 437830970 AHWBRQXFBGTDCV-OAHLLOKOSA-N 429.439 4.063 5 20 IIBD Cc1csc(-c2cccc(NC(=O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)c2)n1 438662466 DPLIBDSYIKLZEE-UHFFFAOYSA-N 438.509 4.402 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2CCC([C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 438894995 IGYBOARYGUJKQV-JOCHJYFZSA-N 438.480 4.008 5 20 IIBD CC(C)(C(=O)O)n1cc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cn1 439702290 CJHIXJYYLOIWFA-UHFFFAOYSA-N 444.831 4.309 5 20 IIBD O=[N+]([O-])c1cc(F)c(Sc2nnc(CN3CCCC3)n2Cc2ccccc2)c(F)c1 440586684 DXCJEMQAWKZWED-UHFFFAOYSA-N 431.468 4.260 5 20 IIBD NC(=O)c1ccc(SCC(=O)N2CCCCC[C@@H]2/C=C/c2ccccc2)c([N+](=O)[O-])c1 440878724 HYPHCCURPMAAFX-FMAYLGMYSA-N 439.537 4.270 5 20 IIBD CCCN(C(=O)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12)c1cccc([N+](=O)[O-])c1 441488717 RDMNEVGSZXFQAG-DENIHFKCSA-N 443.500 4.068 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CCC[C@@H]3CC(=O)c3ccccc3)cc2)c(C)c1[N+](=O)[O-] 443833388 GUPLTZKEDOXQSZ-JOCHJYFZSA-N 446.507 4.334 5 20 IIBD Cc1ccc([C@@H](NC(=O)c2cc(C)ccc2[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 443938901 PZZTXEOFJJWIQJ-JOCHJYFZSA-N 438.505 4.135 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 443945793 KGARHXRDJQDIBF-IBGZPJMESA-N 432.908 4.060 5 20 IIBD CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 443999767 CDYGDEXDRIZEBW-NRFANRHFSA-N 440.547 4.203 5 20 IIBD C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 444413422 SYZBCWSADYOLLD-VLIAUNLRSA-N 426.860 4.036 5 20 IIBD CCN(C(=O)Cc1noc(-c2ccc([N+](=O)[O-])cc2Br)n1)c1ccccc1 445677404 ZNZVGZGQONHWTD-UHFFFAOYSA-N 431.246 4.003 5 20 IIBD Cc1nc(C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])nn1-c1ccc(F)cc1 446427638 IFLMXDPTFXVFMA-UHFFFAOYSA-N 447.426 4.454 5 20 IIBD CCS(=O)(=O)C1CCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 446843769 BNGPNZLOGBMYNB-UHFFFAOYSA-N 438.933 4.440 5 20 IIBD CC(C)(C)c1nc2ccc(NC(=O)C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)cc2s1 447021394 RMICDRVFXORCFV-UHFFFAOYSA-N 438.509 4.025 5 20 IIBD CC(C)[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 447861775 QQLOKJIGQFZGHG-IBGZPJMESA-N 443.504 4.483 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCOc3c(F)cccc3C2)cc1[N+](=O)[O-])c1ccccn1 447864461 FPIOZPUFFFCFKS-HNNXBMFYSA-N 436.443 4.337 5 20 IIBD O=[N+]([O-])c1ccc(CN(c2nnc([C@@H]3CCOC3)n2CCc2ccccc2)C2CC2)cc1 460440258 XMXWUVUWLZUSKW-HXUWFJFHSA-N 433.512 4.102 5 20 IIBD O=C(c1cc2c(F)cc(Br)cc2[nH]1)N1CCOc2ccc([N+](=O)[O-])cc2C1 461412060 XQRDQEXJUBGWEW-UHFFFAOYSA-N 434.221 4.013 5 20 IIBD CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 463061721 RPCXGVGYBXHOIY-YCRPNKLZSA-N 429.904 4.054 5 20 IIBD C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 469535873 RCMKCWYCALZIAV-ZIAGYGMSSA-N 443.887 4.166 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc(-c3ccc(OC)c(Cl)c3)cn2)cc([N+](=O)[O-])c1 469875449 VONXRDUQLUWAHI-UHFFFAOYSA-N 441.827 4.358 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(OCc2cccc(C)c2)c1 469986979 IPGGTMNGCFFTMM-FQEVSTJZSA-N 437.500 4.353 5 20 IIBD Cc1ccc(-c2noc([C@H](C)NC(=O)c3ccc(Br)cc3[N+](=O)[O-])n2)cc1F 472552789 VMPQKTDWVIVJNR-JTQLQIEISA-N 449.236 4.346 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CCOc4c(Cl)cccc43)cc2)c(C)c1[N+](=O)[O-] 472824288 MTKKIHIOXPOAHC-UHFFFAOYSA-N 426.860 4.149 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N2C[C@H](C)Oc3ncccc32)cc1[N+](=O)[O-] 475905850 MQTJATOLHKXXID-AWEZNQCLSA-N 449.488 4.370 5 20 IIBD O=C(N[C@H](CO)c1ccccc1OC(F)(F)F)c1ccc2[nH]c3ccccc3c(=O)c2c1 478153144 KCGAGBJCXYHHEG-LJQANCHMSA-N 442.393 4.043 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)ccc1[N+](=O)[O-] 478905973 XAXVHTMRXUJCRS-UHFFFAOYSA-N 438.406 4.366 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cc2nnc3n2CCC3)cc1 481116504 VKYRSWAXDZKDII-UHFFFAOYSA-N 437.525 4.478 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cccc(CN[C@H](C)c3ccc([N+](=O)[O-])cc3)c2)cc1 483146704 YUTSABMCNPDWTJ-MRXNPFEDSA-N 441.509 4.255 5 20 IIBD O=C(CN1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl 485348900 IFRHFERHZWRQBU-PGRDOPGGSA-N 442.947 4.173 5 20 IIBD CN(C)C(=O)Cc1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1 485751243 DZBPJIROPIOJBB-UHFFFAOYSA-N 433.464 4.057 5 20 IIBD C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 487131869 VNQZTYDVKRFUBB-OXJNMPFZSA-N 430.936 4.001 5 20 IIBD Cc1ccc(S(=O)(=O)c2ccc(Cn3cc([N+](=O)[O-])c(=O)c4ccccc43)cc2)cc1 487871218 NEYCJTZRWMPJIG-UHFFFAOYSA-N 434.473 4.099 5 20 IIBD CCCN(Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 490545112 NGDLYECEYPDOIE-VHKYSDTDSA-N 428.476 4.273 5 20 IIBD O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 495499900 PWYLYIWESDFWCW-MRXNPFEDSA-N 436.493 4.209 5 20 IIBD CS(=O)(=O)c1cccc(Nc2cccc(COCCOc3ccccc3)c2)c1[N+](=O)[O-] 497521452 FZLPPNURRLIHCU-UHFFFAOYSA-N 442.493 4.338 5 20 IIBD CC(=O)N1CCN(c2c([N+](=O)[O-])cnc3ccc(Br)cc23)CC12CCCCC2 497536568 FGAVQNCWWKMDQN-UHFFFAOYSA-N 447.333 4.277 5 20 IIBD CC1CCN([C@@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c2cccs2)CC1 497982608 KNHPAUPMHQRVLF-FQEVSTJZSA-N 426.542 4.200 5 20 IIBD CCC[C@@H](C)N(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1nc(C)c(C(=O)OCC)s1 498181828 LGDHRROPSQDQBQ-LLVKDONJSA-N 449.485 4.101 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 498266588 FGQZBNAXVZDQBV-OAHLLOKOSA-N 447.426 4.352 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3C[C@@H](CO)c4ccccc43)cc2[N+](=O)[O-])n1 498337428 WRLXDLXXYPZPGH-AWEZNQCLSA-N 427.507 4.247 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3[C@@H](c4ccccc4)COC[C@H]3C)cc2)c(C)c1[N+](=O)[O-] 499347383 CDXISKHQVCREKR-OPAMFIHVSA-N 434.496 4.059 5 20 IIBD C[C@H](CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)c1ccc(C(F)(F)F)cc1 501132877 SNQPQKUXIJKJFK-CYBMUJFWSA-N 427.448 4.237 5 20 IIBD Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 501367699 WQZXMZMSTPFRLA-FQEVSTJZSA-N 437.456 4.332 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(F)cc1I 502017447 GJTQUBGNWOYBTM-UHFFFAOYSA-N 442.228 4.389 5 20 IIBD Cn1cnnc1Sc1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1Cl 502425443 NRGBOGWXJIVDQF-UHFFFAOYSA-N 428.861 4.262 5 20 IIBD COc1ccc([C@@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)N2CCCC2)cc1 503474357 PTVORDRQGIWSAB-HSZRJFAPSA-N 440.544 4.361 5 20 IIBD C[C@@H]1CCCCN1C[C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 505919597 STJVTUTZOYAOOQ-IAGOWNOFSA-N 428.558 4.445 5 20 IIBD O=C(NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 507308845 HTTJGTPUBJBXIZ-QUCCMNQESA-N 440.393 4.256 5 20 IIBD C[C@H](c1ccccc1F)N(C)C(=O)c1ccc([N+](=O)[O-])cc1I 508995124 GGCCNMRTKUKJKV-SNVBAGLBSA-N 428.201 4.172 5 20 IIBD O=C(Nc1ccc(Br)cn1)C1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 509378664 KRZJMQPYPIBPIF-HYXAFXHYSA-N 445.317 4.116 5 20 IIBD CCN1CCC[C@@H](CN(C)c2ccc(Br)cc2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 509618947 OCICQCWWPHCLET-IFXJQAMLSA-N 436.354 4.000 5 20 IIBD COc1cc(C(=O)N(Cc2ccco2)C(C)C)c([N+](=O)[O-])cc1OCc1cscn1 512434192 VCOIQCDZGKMQPY-UHFFFAOYSA-N 431.470 4.283 5 20 IIBD O=C(Nc1ccccc1OCCc1ccccc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 512518637 LRKUZGMWBXYYIT-UHFFFAOYSA-N 429.436 4.049 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CCC[C@@H](n3cccn3)C2)cc1 513111899 OXSCKRGKFQVCCH-HSZRJFAPSA-N 428.496 4.481 5 20 IIBD C[C@H](c1cccnc1)N1CCN(c2c([N+](=O)[O-])cnc3ccc(Br)cc23)CC1 514085899 XXYQDYYUJJCOSF-CQSZACIVSA-N 442.317 4.184 5 20 IIBD COc1cc(CCC(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)cc(OC)c1 515051849 NNVKKMRHRSKPBO-UHFFFAOYSA-N 426.391 4.136 5 20 IIBD COc1cc(C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)cc(Br)c1OC 516190030 FDANXORLLFEHJF-UHFFFAOYSA-N 432.230 4.175 5 20 IIBD COc1ccc([C@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)cc1 516707156 GYHGGMAZXRSORB-JOCHJYFZSA-N 438.459 4.243 5 20 IIBD Cc1ccc(-c2csc(NC(=O)CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])n2)c(C)c1 517451467 HRCBYHSSPNOXAJ-UHFFFAOYSA-N 444.900 4.357 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)[C@@H](C)N1CCOCC1 517838028 AJDALAIYSWNDAH-HUUCEWRRSA-N 449.960 4.238 5 20 IIBD CCCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H](C)c1cc2ccccc2o1 518504348 ASURVQQLYVMCEM-CQSZACIVSA-N 425.441 4.288 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1nc(-c2cccc(F)c2)no1 521076206 NMRCCRVEVVTRQB-JTQLQIEISA-N 449.236 4.346 5 20 IIBD CCOc1ccccc1[C@@H](CC)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 522570571 YLZHMFFCHCEBOG-TZIWHRDSSA-N 439.512 4.174 5 20 IIBD CC(C)c1nc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cs1 523228971 KWJSPOSPHIAFEK-UHFFFAOYSA-N 428.436 4.156 5 20 IIBD O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1Cc1csc(Cc2ccc(Cl)cc2)n1 534397069 FRJRTIMMHXCCPQ-UHFFFAOYSA-N 428.857 4.161 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(Cc1cn(Cc3ccccc3)nc1-c1cccnc1)CC2 536673416 RRKVYVYBYFRYNX-UHFFFAOYSA-N 425.492 4.460 5 20 IIBD Cc1ccc(Cc2cnc(NC(=O)c3cc([N+](=O)[O-])ccc3SCCO)s2)cc1F 537478669 YXRXMYMJJXGJEF-UHFFFAOYSA-N 447.513 4.426 5 20 IIBD O=C(Nc1ccc(Br)c(Cl)c1)c1cccc([N+](=O)[O-])c1N1CCOCC1 538458787 PUPCCEFYTYFXOU-UHFFFAOYSA-N 440.681 4.100 5 20 IIBD C[C@H]1c2ccc(F)cc2C[C@@H](C)N1C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 538797926 FLQXBUNUHRDRLB-OLZOCXBDSA-N 441.488 4.162 5 20 IIBD O=[N+]([O-])c1cc2c(c(CN3CCCN(c4ccc(Cl)c(Cl)c4)CC3)c1)OCOC2 539491053 LQEUGJXMHXSISE-UHFFFAOYSA-N 438.311 4.480 5 20 IIBD O=[N+]([O-])c1cccc2ncnc(NCC3(c4ccc(Br)cc4)CCOCC3)c12 542506442 PWRATMIJLLSTMF-UHFFFAOYSA-N 443.301 4.461 5 20 IIBD CC(C)[C@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(Cl)cc1F 542904651 CJDFSMYFMRINMR-SFHVURJKSA-N 442.274 4.284 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H]2CC(=O)N(CCOc3ccccc3Cl)C2)n1 544791307 QOSNFFJLLZEXFF-AWEZNQCLSA-N 442.859 4.002 5 20 IIBD CCO[C@@H]1C[C@@H](NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)[C@@]12CCCO2 545348431 AYXMNFSERHCQKV-SJBKTWHCSA-N 446.887 4.497 5 20 IIBD COc1ccc(Cc2noc(-c3cc(C)cc([N+](=O)[O-])c3)n2)c(Br)c1OC 545673310 WHQJJWCRPSQXNM-UHFFFAOYSA-N 434.246 4.324 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(COc3ccc(F)cc3F)n2)c(Br)c1 545738481 SHIXBFJLAMFXLY-UHFFFAOYSA-N 426.173 4.188 5 20 IIBD COc1cc(Cc2noc([C@H](C)Oc3ccc(Br)cc3)n2)ccc1[N+](=O)[O-] 545786118 SCPSFVFQBWROMX-NSHDSACASA-N 434.246 4.480 5 20 IIBD Cc1cc(-c2noc(-c3ccc(-n4cncn4)c([N+](=O)[O-])c3)n2)ccc1N1CC[C@@H](C)C1 545786200 OIWUJSJQFPIGNA-CQSZACIVSA-N 431.456 4.047 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOc2ccc(Br)cc2C1 549190849 OEZVYUYVGQUDQO-HNNXBMFYSA-N 433.302 4.347 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@H](Cc4ccccc4)C3)n2C[C@H]2CCOC2)c1 549708244 PCHKBCVOFINSBK-NHCUHLMSSA-N 447.539 4.349 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CCCCC2=O)c1 550662378 FICOWKYKIWTAPX-UHFFFAOYSA-N 446.301 4.431 5 20 IIBD COc1cc(C)c(Br)cc1C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 554714200 SUBVNUCZMMMSIN-UHFFFAOYSA-N 431.246 4.112 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](n2ncc3ccccc32)C1 556427853 VLVNDAOUJXNQNX-CQSZACIVSA-N 429.274 4.103 5 20 IIBD CC(=O)c1cc(NCc2ccc(Br)cc2N2CCOCC2)ccc1[N+](=O)[O-] 557645212 WPNLDVJIMQHZKZ-UHFFFAOYSA-N 434.290 4.009 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1-c1nc(CCC(F)(F)F)no1 561385306 NIJUBWOEYVHHDX-UHFFFAOYSA-N 427.120 4.053 5 20 IIBD CC(=O)c1c(F)cc(F)cc1OCc1cc(I)cc([N+](=O)[O-])c1 568566524 LVSPHRPXEZHEOH-UHFFFAOYSA-N 433.148 4.259 5 20 IIBD COc1cc(Cc2noc(CCc3ccccc3Br)n2)c([N+](=O)[O-])c(OC)c1 576303675 BLNZDEDOZMOAIG-UHFFFAOYSA-N 448.273 4.134 5 20 IIBD CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 581738595 UDYSKNNINYBKDO-UHFFFAOYSA-N 425.489 4.305 5 20 IIBD O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)N1CCOc2ccc([N+](=O)[O-])cc2C1 589316859 KRQHKTAULWHUML-UHFFFAOYSA-N 447.373 4.226 5 20 IIBD CC(=O)CCc1ccc2oc(C(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)c(C)c2c1 603761028 LJJRBOIJSMKFLE-UHFFFAOYSA-N 435.480 4.133 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1 603927070 NYTNCZITHCSZEH-UHFFFAOYSA-N 447.944 4.106 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3cnn(C[C@@H]4CCCO4)c3)cc2[N+](=O)[O-])n1 604097901 XVPBSZCRCWSZRE-HNNXBMFYSA-N 445.526 4.139 5 20 IIBD CC(C)[C@@H](NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 608880157 YAMFWJHWLVKVSD-SCLBCKFNSA-N 437.418 4.245 5 20 IIBD Cc1c(C(=O)Nc2cc(Br)ccc2Cl)nnn1-c1cccc([N+](=O)[O-])c1 608945709 XXBKNDMYSWJLSA-UHFFFAOYSA-N 436.653 4.152 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCN(Cc4cccc(O)c4)CC3)c([N+](=O)[O-])c2)cc1 609039087 HIVGILMMIFALTI-UHFFFAOYSA-N 446.507 4.183 5 20 IIBD Cc1ccnc(NC(=O)CN(C)C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)c1 609142377 ACIWLKBRDPGORY-UHFFFAOYSA-N 436.493 4.160 5 20 IIBD C[S@@](=O)CCCNC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 609525397 UVFMGOHMTLNXPH-GDLZYMKVSA-N 446.472 4.263 5 20 IIBD CN(C)C(=O)[C@@H]1CCC[C@H](NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 609637058 NBTPSZNUPPDFFM-CTNGQTDRSA-N 447.539 4.184 5 20 IIBD C[C@H]1c2ccc(F)cc2CCN1C(=O)c1ccc([N+](=O)[O-])cc1I 609978717 JSBZITGFVYETNC-JTQLQIEISA-N 440.212 4.098 5 20 IIBD C[C@H]1CN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](C)S1 610300646 DJZNIUSHIPFFQQ-IRXDYDNUSA-N 436.537 4.342 5 20 IIBD CCCOc1cc(NC(=O)N2C[C@@H](C(F)(F)F)O[C@H](C)C2)c([N+](=O)[O-])cc1OCCC 610415720 GYPIXRXQAKATPC-PXAZEXFGSA-N 449.426 4.356 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)N1CCC[C@@H](n2ccnc2)C1 610945231 UTVCDQWUFZDSIN-WIYYLYMNSA-N 439.903 4.462 5 20 IIBD C[C@@H](Sc1nnc(-c2cccnc2)n1C1CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 611190649 MYSWTNPQGJJQBV-GFCCVEGCSA-N 435.469 4.487 5 20 IIBD CCCOc1ccc(CNC(=O)CSc2nc3cc4ccccc4cc3c(=O)n2C)cc1 613972861 HKZQEFOPEVDHGY-UHFFFAOYSA-N 447.560 4.284 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)ccc1[N+](=O)[O-] 725947882 JOHAWJSPGHDWEZ-MRXNPFEDSA-N 434.448 4.378 5 20 IIBD O=C(OCc1ccccc1OC(F)F)c1ccc([N+](=O)[O-])cc1I 726031906 WXLDJGVEDNRLRT-UHFFFAOYSA-N 449.147 4.158 5 20 IIBD O=C(OCCc1ccc([N+](=O)[O-])cc1)C1(c2ccc(Br)cc2)CCOCC1 726051914 VFBCOSXIKKMESO-UHFFFAOYSA-N 434.286 4.191 5 20 IIBD O=C(NCCCc1nc2c(s1)CCCC2)c1cc([N+](=O)[O-])ccc1N1CCCCC1 727097136 ZXHLBQJGEOYSLF-UHFFFAOYSA-N 428.558 4.283 5 20 IIBD C[C@H](OC(=O)c1ccc(Oc2ccccc2)c(N)c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 728639058 HBGHVYYNSBEKMJ-ZDUSSCGKSA-N 439.399 4.292 5 20 IIBD C[C@@H](OC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1C(F)(F)F 728923927 WBJURMNNOHZIKM-SNVBAGLBSA-N 430.766 4.380 5 20 IIBD O=C(Nc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1)c1ccsc1 728935797 FHWZJGGFYUXUOQ-UHFFFAOYSA-N 438.870 4.330 5 20 IIBD Cc1cccc2[nH]cc(CC(=O)OCC(=O)Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c12 729012813 VOCWADCDRCBJNG-UHFFFAOYSA-N 435.358 4.128 5 20 IIBD COc1ccc(CN2C(=O)/C(=C/c3ccc(OC)c([N+](=O)[O-])c3)c3ccccc3C2=O)cc1 730151844 RBPVCWXYSPWQKY-FYJGNVAPSA-N 444.443 4.335 5 20 IIBD Cc1ccc(-c2nc(C(=O)OC[C@H]3CCCN3C(=O)c3ccccc3[N+](=O)[O-])cs2)o1 730708922 SSYGNMASPKXTHU-CQSZACIVSA-N 441.465 4.081 5 20 IIBD O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCc1csc(-c2ccoc2)n1 731062769 HASHAPSQOCQPGF-UHFFFAOYSA-N 427.360 4.485 5 20 IIBD COc1ccc(N(C(C)C)S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)cc1F 731673642 CJKVZGSAACNZGC-UHFFFAOYSA-N 447.282 4.109 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc(CSc2nc[nH]n2)cc1 732353317 VFFCWVIAGOYCPL-UHFFFAOYSA-N 428.470 4.149 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)cc([N+](=O)[O-])c1 733244090 CCBFLAWCANFGPI-UHFFFAOYSA-N 442.815 4.260 5 20 IIBD O=C(Oc1ccc(-c2noc(-c3cccnc3)n2)cc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 733693718 LTDBPJYQMYRAQL-UHFFFAOYSA-N 427.376 4.407 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1ccc(Cl)cc1OCC(F)(F)F 733774367 NDEOCRPTZFXXSI-UHFFFAOYSA-N 428.747 4.129 5 20 IIBD CCc1ccc(OC(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)c([N+](=O)[O-])c1 734739941 OUVMCVAECXEACF-OAHLLOKOSA-N 436.386 4.130 5 20 IIBD O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(=O)n(Cc2ccccc2Cl)c1 734887898 OKWITHGTEMXVCS-UHFFFAOYSA-N 433.247 4.469 5 20 IIBD CCO[C@H](C)c1nc(CN2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cs1 736620848 XXIJHGJNSWCXQM-CYBMUJFWSA-N 444.479 4.490 5 20 IIBD COc1cc(N2CCC(OC(=O)c3nc(-c4cccs4)oc3C)CC2)ccc1[N+](=O)[O-] 739383696 BHVZWOKBDGAKNS-UHFFFAOYSA-N 443.481 4.454 5 20 IIBD C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)CC[C@@H]1c1ccccc1 742417188 JDHBGBXRLQKTRY-XLIONFOSSA-N 429.542 4.009 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCCC[C@H]1c1cccc(C)c1C 742863786 XUTJFAFPHVDSLM-IBGZPJMESA-N 426.469 4.165 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@](C)(O)c2cc(C)oc2C)cc1 743510357 KYDHNTYVMDLRPX-QHCPKHFHSA-N 440.452 4.243 5 20 IIBD CCN(CC1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1)C(=O)OC(C)(C)C 744708926 RDZSZWBRKLDEGG-UHFFFAOYSA-N 446.548 4.278 5 20 IIBD C[C@@H](CC(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1C(F)(F)F 745217336 JJMXIHMGCIFSAH-NSHDSACASA-N 428.338 4.428 5 20 IIBD C[C@H](OC(=O)c1ccc(-c2ccc(F)cc2)n1C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 749326801 BPBISNRPEYSFQX-LBPRGKRZSA-N 429.379 4.063 5 20 IIBD O=C(Oc1ccc(Sc2ccncc2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 749533311 RBEZBKYSTUQQTN-UHFFFAOYSA-N 437.477 4.197 5 20 IIBD O=[N+]([O-])c1cccc([C@H](O)CSc2nnc(-c3cccnc3)n2Cc2ccccc2)c1 749642580 XRXRLRZTVYWDIW-HXUWFJFHSA-N 433.493 4.122 5 20 IIBD O=C(COC(=O)c1cccc(Cl)c1[N+](=O)[O-])Nc1ncc(C(F)(F)F)cc1Cl 750542205 UQSNAJSHVVVQIL-UHFFFAOYSA-N 438.145 4.111 5 20 IIBD O=C(Cc1c(F)cccc1Cl)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 750662081 HDZZZYJNNJTSMA-UHFFFAOYSA-N 427.657 4.277 5 20 IIBD O=C(c1ccccc1)c1ccc(NCC2CCN(C(=O)C(F)(F)F)CC2)c([N+](=O)[O-])c1 754017870 JSINRSVGFWMOOJ-UHFFFAOYSA-N 435.402 4.039 5 20 IIBD COc1ccc(CSCC(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)cc1[N+](=O)[O-] 754394389 JOVOVQLUWQXCHU-WBVHZDCISA-N 436.555 4.013 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC(OCc2ccccc2)CC1 754976578 KCAKOFSODNKYHY-UHFFFAOYSA-N 437.265 4.318 5 20 IIBD COC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)OC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F 754981340 CINMFFKCBNTFLW-AWEZNQCLSA-N 449.740 4.347 5 20 IIBD Cc1ccccc1-c1noc(COC(=O)Cc2ccc([N+](=O)[O-])cc2Br)n1 756524178 CWFLCTHRPLICSE-UHFFFAOYSA-N 432.230 4.002 5 20 IIBD C[C@@H](OC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 756768638 PDIYJIQHXMLMOR-CYBMUJFWSA-N 437.452 4.489 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc3cccc(Br)c3n2)cc1[N+](=O)[O-] 757435509 JGHLSWSRJVPJRD-UHFFFAOYSA-N 431.202 4.374 5 20 IIBD Cc1ccc(-c2nc(C(=O)O[C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cs2)n1C 758575716 DPDQXXCYHKLHNP-LBPRGKRZSA-N 439.453 4.333 5 20 IIBD CS(=O)(=O)c1cc(C(=O)O[C@@H]2CCc3c(Cl)cc(Cl)cc32)cc([N+](=O)[O-])c1 759606781 SDLHAJLRLHSWGB-MRXNPFEDSA-N 430.265 4.149 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2C[C@H](c3ccsc3)O[C@H](C)C2)CC1 759976931 JTWLFOPXHXKHGE-IIBYNOLFSA-N 429.542 4.495 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cccnc2OCC(F)F)cc1)c1cccc([N+](=O)[O-])c1 760332118 ZTMOMPUCFJBVBF-UHFFFAOYSA-N 443.362 4.105 5 20 IIBD C[C@@H](C(=O)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 762318198 WZKYVAOYKQHEEF-JPYJTQIMSA-N 432.476 4.342 5 20 IIBD C[C@H](OC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 763421817 XEVRRPKFXLHKPC-GJZGRUSLSA-N 426.469 4.498 5 20 IIBD CC(C)(C)OC(=O)N1CCc2c(NC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)cccc21 763582429 XHMHPZANGRFBID-UHFFFAOYSA-N 449.467 4.330 5 20 IIBD C[C@@H](OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1nc2cc(Cl)ccc2n1C 764278949 KUBXUWFNZKQFAC-GFCCVEGCSA-N 425.832 4.239 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3CCN(c4ccc(C(F)(F)F)cc4)C3)CC2)cc1 766014833 SAKRVTNEWZDIJE-GOSISDBHSA-N 434.462 4.451 5 20 IIBD CCS[C@H](C)c1noc(CN2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)n1 766048722 CSUJADRIDPSNRF-GFCCVEGCSA-N 445.467 4.133 5 20 IIBD C[C@H](Nc1ccc(C(=O)OCc2cn(C)nc2C(F)F)cc1[N+](=O)[O-])c1ccccn1 770350752 ZFRPWSNEFAUCIR-LBPRGKRZSA-N 431.399 4.191 5 20 IIBD O=C(Cc1noc(CNc2ccccc2[N+](=O)[O-])n1)Nc1ccc(SC(F)F)cc1 770958516 JIBALOBRKMIQQO-UHFFFAOYSA-N 435.412 4.086 5 20 IIBD CCCN1C(=O)CCc2cc(NS(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3C)ccc21 773254531 KKFCVBJTPYLVMX-UHFFFAOYSA-N 437.905 4.047 5 20 IIBD Cc1cnccc1OC1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 774733403 DIMOIRQADXPZIF-UHFFFAOYSA-N 426.351 4.273 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)OC[C@@H]1CC(=O)N(CCc2ccccc2)C1 775255087 JEIJYOVTNHBYOX-GOSISDBHSA-N 442.537 4.343 5 20 IIBD CCCN(CCC)C(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)cc1 778241983 JGZPXNMIHRBPQA-UHFFFAOYSA-N 427.486 4.114 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)Nc1cccc(NC(C)=O)c1 780283527 RUZWABRQEMTJNS-CYBMUJFWSA-N 445.497 4.239 5 20 IIBD CC[C@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 781690481 MAPFBNVTXYQPHN-NSHDSACASA-N 432.380 4.178 5 20 IIBD Cc1cc(-c2noc([C@@H](C)OC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)ccc1F 781734319 CLGAOBMNYUFWSF-GFCCVEGCSA-N 444.375 4.238 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(I)c1)c1ccccc1Br 788107522 FLIFPDHINHFCAC-UHFFFAOYSA-N 447.026 4.214 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC(C(=O)Nc2ccc(F)cc2)CC1 790264377 DGOKSXIGRPFCFU-UHFFFAOYSA-N 435.839 4.029 5 20 IIBD C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)COc1cc(F)c(Br)cc1[N+](=O)[O-] 790295148 FJAUCXNPLXADBZ-VIFPVBQESA-N 447.207 4.373 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(Oc3ccc(S(C)(=O)=O)cc3)cc2)c1F 790430257 SQORMQJOVMPFFO-UHFFFAOYSA-N 444.440 4.490 5 20 IIBD Cn1ccc([C@@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c2ccc(Cl)cc2)n1 790994381 SSVWHRACOWJZTM-IBGZPJMESA-N 437.258 4.223 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)OCc2cncc(F)c2)cc1[N+](=O)[O-] 795333166 VEQSAMDLISZQDN-UHFFFAOYSA-N 426.425 4.439 5 20 IIBD Cc1ccc(NC(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)cc1[N+](=O)[O-] 797606666 JGHZSIJPBQHMCT-SFHVURJKSA-N 426.473 4.074 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCc1nc2ccc(Cl)nc2[nH]1 802214118 VYZWJTNKCRNEPX-UHFFFAOYSA-N 443.769 4.084 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1 802614253 VNIQJPHUBNOKSO-UHFFFAOYSA-N 437.418 4.074 5 20 IIBD COC(=O)Nc1cccc(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 803544111 UHOCMDRATQBBCI-OAHLLOKOSA-N 449.467 4.271 5 20 IIBD CN(C)CCOc1ccc(/C=C\c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)cc1 809432987 BEGGHEHXARQYLK-YHYXMXQVSA-N 433.468 4.161 5 20 IIBD COc1cc(Cc2noc(Cc3sc(SC(F)F)nc3C)n2)ccc1[N+](=O)[O-] 809435051 NSMRWFMVFHXCCP-UHFFFAOYSA-N 428.442 4.248 5 20 IIBD O=C(NCc1ccc(NC(=O)c2cccnc2)cc1)Nc1cccc([N+](=O)[O-])c1Cl 809917387 GGELIGHVLXNYAC-UHFFFAOYSA-N 425.832 4.217 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](C2CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])CC2)C1 812351418 LRDOATOKNNOLNB-HNNXBMFYSA-N 437.924 4.357 5 20 IIBD CC(C)(CCc1noc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)n1)[N+](=O)[O-] 812812938 YXZODZSOVZXBBS-YRYLYKBFSA-N 432.908 4.478 5 20 IIBD Cc1noc(C)c1-c1ccc(OS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])cc1 815038286 GGMMAMKDVMEXBS-UHFFFAOYSA-N 426.809 4.427 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Cl 821968959 NHTQMGIERIRABV-AWEZNQCLSA-N 442.859 4.235 5 20 IIBD C[C@@H](OC(=O)c1cc(Cl)ccc1Br)C(=O)Nc1cccc([N+](=O)[O-])c1 913344162 LFVRVBQMARSVQG-SECBINFHSA-N 427.638 4.195 5 20 IIBD Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 915729272 KSTRLCDXMQVQEM-UHFFFAOYSA-N 431.920 4.460 5 20 IIBD O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 916127085 APKOTPWVFCZFTC-KAMYIIQDSA-N 430.376 4.417 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)OCc2nc(-c3cccs3)no2)CC1 916424497 JZZXHKCDJFMYSS-UHFFFAOYSA-N 428.470 4.300 5 20 IIBD CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cs1 917600759 GSQBPOBIGGAWSU-YBFXNURJSA-N 448.460 4.389 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(N4CCOC4=O)cc3)cc2[N+](=O)[O-])C1 918386569 OSKLQGVIIWBSOA-IYBDPMFKSA-N 438.484 4.286 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1)c1cccc([N+](=O)[O-])c1 918447237 BZLRXNOYLJUMIA-HNNXBMFYSA-N 442.491 4.319 5 20 IIBD CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)OCCc1ccc([N+](=O)[O-])cc1 918993423 BRBMPWIAVNMSMG-IOFSEFHDSA-N 428.529 4.038 5 20 IIBD CCSc1cc(C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)ccn1 919681026 ILWDPZMSGKFXLD-UHFFFAOYSA-N 427.486 4.203 5 20 IIBD Cc1sc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c(C(N)=O)c1-c1ccccc1 921279492 LVKHZBXWABVRHF-UHFFFAOYSA-N 447.476 4.169 5 20 IIBD Cc1csc(CCCNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1 1318322234 MPWDCQBTOLKMOI-HNNXBMFYSA-N 425.514 4.290 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Oc1cc(F)c(Br)cc1Cl 1321759228 AUODSGRHIGDKBV-UHFFFAOYSA-N 428.594 4.057 5 20 IIBD COc1ccc(Cc2nc([C@H](NC(=O)OC(C)(C)C)c3ccccc3)no2)cc1[N+](=O)[O-] 1328265204 CXJJKRQYPPNGIH-LJQANCHMSA-N 440.456 4.191 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)C3=CCCS3)CCC2)cc1 1785792126 QOTAPDVFCZUBCR-UHFFFAOYSA-N 437.521 4.292 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccc(C2(NC(=O)c3ccncc3)CCC2)cc1 1786206278 GHBXJSKYTFYOEM-SOFGYWHQSA-N 432.436 4.044 5 20 IIBD Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccccc2)C3)cc(Cl)cc1[N+](=O)[O-] 1800711573 NRMQUFZKTLFEJQ-BCDXTJNWSA-N 427.888 4.122 5 20 IIBD O=C(CCC1CCC1)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)[nH]n1 1815045729 CEBHAPDDGCGGPZ-FQEVSTJZSA-N 439.516 4.133 5 20 IIBD CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)CCCC1 1830704977 PWOXIDGCJSHCKS-NRFANRHFSA-N 443.544 4.114 5 20 IIBD C[C@H]1CC[C@H](C(=O)N2CC3(CCCN3C(=O)C3(c4cccc([N+](=O)[O-])c4)CCC3)C2)CC1 1845143929 AWLKILOUKKDCJD-WGSAOQKQSA-N 439.556 4.046 5 20 IIBD CNc1ccc(C(=O)O[C@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)cc1[N+](=O)[O-] 9924134 FXKNHBOUVLFLOA-NRFANRHFSA-N 435.436 4.182 5 20 IIBD Cn1c(S[C@H](C(=O)NC2CC2)c2ccc(F)cc2)nc2cc3ccccc3cc2c1=O 10670205 OCPCGFBFRPHCOO-NRFANRHFSA-N 433.508 4.338 5 20 IIBD Cc1sc(NC(=O)C(C)(C)C)c(C(=O)OCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1C 11272602 JDAIQSQKDAIFSG-UHFFFAOYSA-N 447.513 4.078 5 20 IIBD Cc1csc(=O)n1CCOC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 18032786 UOTDSBJYXAMVCO-UHFFFAOYSA-N 434.857 4.429 5 20 IIBD C[C@@H](OC(=O)CSc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 20991382 HZCBFKLSYMRPRE-LLVKDONJSA-N 428.388 4.276 5 20 IIBD CCNc1ccc(C(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)cs2)cc1[N+](=O)[O-] 21902034 IPNATDADCDKLDB-UHFFFAOYSA-N 445.526 4.100 5 20 IIBD CCOC(=O)c1c(NC(=O)COc2cccnc2[N+](=O)[O-])sc(-c2ccccc2)c1C 22153440 AMXWUCBPYABHIQ-UHFFFAOYSA-N 441.465 4.221 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@H](c1ccccc1)N1CCCC1 24357504 KKCKPYRQLBBWLS-RUZDIDTESA-N 425.532 4.108 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1 31909506 RXIARWJWYRCEGR-UHFFFAOYSA-N 441.875 4.251 5 20 IIBD O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)Nc1ccccc1Sc1ccccc1 35329113 IHLXSMCYOJHFFI-UHFFFAOYSA-N 432.461 4.095 5 20 IIBD C[C@H]1C[C@H](C)CN(Cc2ccc(CNC(=O)CCOc3ccccc3[N+](=O)[O-])cc2)C1 58904483 VUUKGBQZHDRYFD-OALUTQOASA-N 425.529 4.158 5 20 IIBD O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(Cc3nnsc3Cl)CC2)s1 59039063 REILPDNDBYKKKR-UHFFFAOYSA-N 435.962 4.146 5 20 IIBD O=C(NCCNc1ncc(Cl)cc1Cl)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 65102955 ZOGDMORZYOTEDG-UHFFFAOYSA-N 438.296 4.262 5 20 IIBD Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NCc1ccc([N+](=O)[O-])cc1 108531618 ZKSWVWSNYVWZTQ-UHFFFAOYSA-N 429.274 4.090 5 20 IIBD CC(C)c1nnc(S[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1C 110239293 NUUNIZTWORPXQZ-NSHDSACASA-N 432.531 4.090 5 20 IIBD O=[N+]([O-])c1cc(Br)cnc1Nc1ccc(OCc2noc(C3CC3)n2)cc1 301683560 KPSHHPNFMQPWCP-UHFFFAOYSA-N 432.234 4.335 5 20 IIBD CN(CC(=O)Nc1c(Cl)cccc1Cl)c1c(Br)cncc1[N+](=O)[O-] 301886671 MJAKNKBNHCESKJ-UHFFFAOYSA-N 434.077 4.134 5 20 IIBD O=[N+]([O-])c1cnc(Sc2nnc(-c3cccnc3)n2-c2ccc(Cl)c(Cl)c2)nc1 302169606 TZFJOZDNTJDFGJ-UHFFFAOYSA-N 446.279 4.486 5 20 IIBD Cc1nn(C)c(Oc2cccnc2)c1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 303190468 MLVWSPJCTDZICP-UHFFFAOYSA-N 436.453 4.200 5 20 IIBD Cc1c(C(=O)N[C@H](C)c2nc(-c3ccccc3)cs2)nnn1-c1cccc([N+](=O)[O-])c1 410299695 XZRKUFIDHUTGDA-CYBMUJFWSA-N 434.481 4.098 5 20 IIBD C[C@@H](c1ccc(Br)cc1)[S@@](=O)Cc1cc([N+](=O)[O-])cc2c1OCOC2 427178760 MZVRYFPDSGYYPH-FTJNGKRUSA-N 426.288 4.234 5 20 IIBD COc1ccc([N+](=O)[O-])cc1Cn1c(=O)c(C(F)(F)F)nc2ccc(C(F)(F)F)cc21 427269479 KJIJRTCDSNFMFG-UHFFFAOYSA-N 447.291 4.399 5 20 IIBD C[C@@H]1CN(CCCNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCCO1 432367060 IFEDZWKDJMICTA-HXUWFJFHSA-N 449.555 4.038 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3c(C)cccc3SC)CC2)ccc1[N+](=O)[O-] 432439419 GMIJCGSONCSXHQ-UHFFFAOYSA-N 430.530 4.378 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc(Br)c1F 433104937 NRDKXEDMURLPSY-VIFPVBQESA-N 440.225 4.166 5 20 IIBD Cc1ccc(-c2[nH]nc(NC(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)c2C)o1 434502493 JVHHDTJLXDDNHJ-UHFFFAOYSA-N 434.456 4.309 5 20 IIBD CCOc1ccccc1N1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC1 435818000 QEESSWAMEVPCGI-UHFFFAOYSA-N 445.494 4.182 5 20 IIBD O=C(Nc1ccc(OC2CCCC2)c(F)c1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 437055323 GMJWHXLXCYOZBJ-UHFFFAOYSA-N 441.459 4.185 5 20 IIBD O=C(N[C@H](C1CCCC1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1I 437931564 GKMCEXQPQAYSPQ-GFCCVEGCSA-N 442.175 4.050 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 441675116 YRADABULQMTVDP-OPAMFIHVSA-N 425.489 4.133 5 20 IIBD COc1ccccc1[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1Cl 441961958 CJBHUEJSOOOURF-HXUWFJFHSA-N 439.855 4.101 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(Cc2nc(C(F)(F)F)cs2)CC1 443635731 YQMOMTOCBHLJOR-UHFFFAOYSA-N 440.369 4.411 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCC(=O)Nc1ccc(Br)cc1 443948509 QKHQPGNDLRKIHR-UHFFFAOYSA-N 435.278 4.124 5 20 IIBD Cc1ccc(F)c(-c2cc(NC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)n[nH]2)c1 444803360 FWTVLULCULBMAI-UHFFFAOYSA-N 448.404 5.049 5 20 IIBD CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 445020050 KMJCGSUPYKCUNV-MRXNPFEDSA-N 442.516 4.491 5 20 IIBD COc1ccc([C@H](C)NC(=O)Cc2noc([C@@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)cc1 445806394 VJTLCXPCBXLFNZ-UONOGXRCSA-N 442.497 4.260 5 20 IIBD COC(=O)c1cc(NC(=O)CCC(=O)c2cc(Cl)sc2Cl)cc([N+](=O)[O-])c1 446307876 OGVJZTQWGZKVIA-UHFFFAOYSA-N 431.253 4.351 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(Nc2cccc(Br)c2)CC1 447689035 JHOLTTCIQGTOTM-UHFFFAOYSA-N 434.290 4.083 5 20 IIBD Cc1cn(-c2ncccc2F)nc1NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 448409011 BBGLKGHCRKYCAU-UHFFFAOYSA-N 449.467 5.027 5 20 IIBD COc1ccccc1-c1nnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1C[C@@H]1CCOC1 461564541 HHHMLDZLGANVAB-SFHVURJKSA-N 449.511 4.067 5 20 IIBD Cc1ccc(-c2nnc(N(C)CCc3ccccc3[N+](=O)[O-])n2C[C@@H]2CCCCO2)o1 461823287 BZRUQHLYTQDMQU-SFHVURJKSA-N 425.489 4.003 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cn2cc(Br)cc(C)c2n1 462752784 IVGDEFXBYFCVAV-OAHLLOKOSA-N 445.317 4.199 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)cc([N+](=O)[O-])c1 464145163 IPHHAPNXECBBEH-UHFFFAOYSA-N 427.800 4.474 5 20 IIBD CCOc1cc(C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)c([N+](=O)[O-])cc1OC 464323109 VYGWOICFSBEVTJ-UHFFFAOYSA-N 448.888 4.350 5 20 IIBD CC(C)[C@@H](O)CCNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 465971769 HLEWZRFAXLKSJQ-KRWDZBQOSA-N 439.871 4.386 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(=O)n(Cc2csc(C(C)C)n2)c1 466502341 IJEJAUXGVVUQMX-UHFFFAOYSA-N 442.497 4.036 5 20 IIBD COc1cc(C(=O)NC2(CN(C)C)CCC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 466573517 MKLSJTRJRLVONG-UHFFFAOYSA-N 433.892 4.263 5 20 IIBD CN(C)[C@@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 469545557 UXMNSEYMSUCTHI-IBGZPJMESA-N 436.434 4.221 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@@H](c2ccc(Br)cc2)[C@H]1C 471055787 GWCHQCUKMOBWPW-BFUOFWGJSA-N 449.301 4.358 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3ccc(CSCC)cc3)CC2)ccc1[N+](=O)[O-] 477345276 BWHWWHNESGFEIC-UHFFFAOYSA-N 429.542 4.209 5 20 IIBD COc1cc(C(=O)Nc2ccc(Cl)cc2I)cc([N+](=O)[O-])c1C 477682503 ZPGIITYGGAFTAZ-UHFFFAOYSA-N 446.628 4.422 5 20 IIBD Cc1nc(CCNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)sc1C 478176264 DVVHKXLRXALTJW-CQSZACIVSA-N 425.514 4.209 5 20 IIBD Cc1ccc(I)cc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 478649254 HEIRIMHYAXKQNP-UHFFFAOYSA-N 448.163 4.362 5 20 IIBD CCC(CC)[C@H]1C[C@@H](NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)CCO1 478772910 AUGKLYZPLSBBNR-LEWJYISDSA-N 428.533 4.170 5 20 IIBD Cc1ccc(Cl)cc1NC(=O)COc1ccc(I)cc1[N+](=O)[O-] 478896219 JCRQFHAGSYPWOR-UHFFFAOYSA-N 446.628 4.179 5 20 IIBD C[C@@H](NC(=O)NCCCOC1CCN(Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 483707547 ALKVSVWXXCTUJW-LJQANCHMSA-N 440.544 4.026 5 20 IIBD CCOCc1nc([C@@H](C)NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)no1 484890766 VCVKCKHYQVMMIR-GFCCVEGCSA-N 446.847 4.451 5 20 IIBD CSc1cccc(C(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)c1[N+](=O)[O-] 485758627 WHSUXRWTYBRTBA-UHFFFAOYSA-N 442.541 4.384 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc3ccccc3n2CC(F)(F)F)c(C)c([N+](=O)[O-])c1 486111518 WNFGNVHYYJJADV-UHFFFAOYSA-N 435.358 4.459 5 20 IIBD O=C(NC[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1)Nc1ccc([N+](=O)[O-])cc1Cl 486759383 HIELAWPVSLQULV-LBPRGKRZSA-N 447.797 4.120 5 20 IIBD COC(=O)c1cc(NC(=O)N2C[C@H](C)C[C@H]2c2cccc(OC)c2)c(C)c([N+](=O)[O-])c1 486869707 CFZPOWWBCKPGBI-XCLFUZPHSA-N 427.457 4.313 5 20 IIBD CC[C@@H](NC(=O)N[C@H](C)c1c(C)nn(CC(F)(F)F)c1C)c1cccc([N+](=O)[O-])c1 488308285 UQXWASGIMREHSQ-BDJLRTHQSA-N 427.427 4.482 5 20 IIBD COc1cc(C(=O)Nc2ccn(-c3ccccc3Cl)n2)c([N+](=O)[O-])cc1OC(F)F 489067481 COEMVJIUTDSVCU-UHFFFAOYSA-N 438.774 4.296 5 20 IIBD CS(=O)(=O)c1cccc([C@@H](NCCc2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)c1 491018162 HDYUQKWYADJQLY-QFIPXVFZSA-N 428.485 4.059 5 20 IIBD COc1ccccc1CN(C[C@H]1CCCO1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 497805283 VSRIJDQOXSZCQS-MRXNPFEDSA-N 436.411 4.026 5 20 IIBD O=C(CSc1nnc(-c2ccc(F)cc2)o1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 498147363 QCEAJLQORODMQO-SFHVURJKSA-N 446.485 4.150 5 20 IIBD COC[C@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 498602893 MPQJPFUVLYUPGE-HNNXBMFYSA-N 428.510 4.046 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccn(Cc3ccncc3)n2)cc1[N+](=O)[O-])c1ccccn1 499486914 KORAWPIWVMZFGY-MRXNPFEDSA-N 443.467 4.055 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N[C@H](CO)Cc1ccc(F)cc1 499934026 USPXNYAPPFQVMJ-SFHVURJKSA-N 425.416 4.251 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1COc2cc(F)c(Br)cc21 500259867 MGXMSMYUAQFZJW-AWEZNQCLSA-N 441.278 4.472 5 20 IIBD CCOc1cccc2cc([C@H](C)Nc3ccc(S(=O)(=O)N(C)C)cc3[N+](=O)[O-])oc12 501973218 MOGWDKPSIKHZLZ-ZDUSSCGKSA-N 433.486 4.163 5 20 IIBD O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C\c1cc(Cl)c2c(c1)OCCCO2 502251501 GLOSEHXGSVJSKH-MDWZMJQESA-N 425.828 4.064 5 20 IIBD Cn1c(C(=O)N2CCN(Cc3ccc(-c4cccc(Cl)c4)s3)CC2)ccc1[N+](=O)[O-] 502854105 DZHOCEIMPUQDJY-UHFFFAOYSA-N 444.944 4.273 5 20 IIBD CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 505419128 DKJVDPZTDKNFKM-SFHVURJKSA-N 432.318 4.266 5 20 IIBD COCCN([C@@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] 508001732 RSLSVVCKNVRAQE-AWEZNQCLSA-N 446.447 4.320 5 20 IIBD C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1I 508803065 MWVFAYDTZAPUEI-SECBINFHSA-N 446.191 4.311 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl 509314944 DJMKEJQWNYAXKM-OAHLLOKOSA-N 430.313 4.034 5 20 IIBD Cn1c(-c2cccc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)c2)nc2ccccc21 512323164 ZXBXMYHQBXOMAP-UHFFFAOYSA-N 430.420 4.172 5 20 IIBD O=C(NC1CCCCC1)c1ccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 512958270 DZOKAWIDCAYEHO-UHFFFAOYSA-N 437.905 4.112 5 20 IIBD COc1ccc(CNC(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)cc1[N+](=O)[O-] 513989283 JEMHQKCHQCVAJC-MRXNPFEDSA-N 433.892 4.257 5 20 IIBD O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 515170218 ZCMBHJFZWCZZBA-UHFFFAOYSA-N 429.786 4.016 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 516049405 BUXWOVBFCZZCGZ-VIFPVBQESA-N 449.307 4.448 5 20 IIBD COc1cc(CN(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2N)ccc1OCc1ccccc1 517175425 MSQVVTKFRWYAED-UHFFFAOYSA-N 439.443 4.176 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(c2c[nH]c3ncccc23)CC1 520469036 BVKHSMIXFDYJGN-ZDUSSCGKSA-N 428.876 4.298 5 20 IIBD O=C(Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1cc(F)cc([N+](=O)[O-])c1 521836939 DMOXEFDRTWFCGL-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD COCCCOc1ccc(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 522021135 UJXKHVCFYNNRFP-UHFFFAOYSA-N 427.482 4.064 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccc(NC(=O)c2ccncc2)c1 522650709 BVEIUMRRRWVINM-UHFFFAOYSA-N 440.843 4.303 5 20 IIBD O=C(CCc1nc(-c2ccccn2)no1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 522665960 CYENERPSTPPLIE-UHFFFAOYSA-N 431.408 4.403 5 20 IIBD CCCC[C@@H](CC)CC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 522686953 SPZIKFKRBRHXPM-CYBMUJFWSA-N 425.532 4.429 5 20 IIBD C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br 524865856 LOJFWBUKQWNCEY-HNNXBMFYSA-N 432.318 4.094 5 20 IIBD CCOc1ccc(NC(=O)CNc2ccc(C)c(OCC3CCOCC3)c2)c([N+](=O)[O-])c1 524947750 ZAPGDFVSTITAAX-UHFFFAOYSA-N 443.500 4.158 5 20 IIBD O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 525216227 FEUVPAGIUWQASU-UHFFFAOYSA-N 439.903 4.348 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1OCC1CCOCC1 525482094 AEXXNWWOOIMOOQ-UHFFFAOYSA-N 440.905 4.163 5 20 IIBD Cc1ccc(C(C)C)c(Oc2ccc(CNCC3(C(N)=O)CCOCC3)cc2[N+](=O)[O-])c1 531495202 CEHBZJMNTNVWAW-UHFFFAOYSA-N 441.528 4.191 5 20 IIBD CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 535370996 UVJJELHLSQTKRD-UHFFFAOYSA-N 435.267 4.023 5 20 IIBD C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 537943077 ABRKUFVJCIMBKT-YGHRGLEHSA-N 448.926 4.387 5 20 IIBD CC[C@H](Sc1ccccc1)C(=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc12 538063185 SGYJMJCWZLKZMR-IBGZPJMESA-N 425.514 4.027 5 20 IIBD CC[C@H]1CC[C@@H](C)N1C(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 539017624 AZXCQUKARKMULR-QAPCUYQASA-N 431.514 4.107 5 20 IIBD CCc1nn(C)c(N2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)c1[N+](=O)[O-] 539860023 DVVVUYLIBYKWHH-UHFFFAOYSA-N 438.463 4.237 5 20 IIBD COc1ccc(NC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)cc1[N+](=O)[O-] 542001376 KUIQGHRPAOXZOD-SFHVURJKSA-N 434.290 4.142 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccn(Cc2ccccc2)c1=O 542236385 YGXFSAUEEMPXMF-UHFFFAOYSA-N 429.885 4.189 5 20 IIBD C[C@@H](C(=O)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1)c1ccc([N+](=O)[O-])cc1F 543540120 RPSWJKCSIQXUST-CQSZACIVSA-N 428.439 4.458 5 20 IIBD COc1ccc(Cc2noc(-c3ccc(N[C@@H](C)c4ccccn4)c([N+](=O)[O-])c3)n2)cn1 544963403 AYGIIZSYDUBNOM-AWEZNQCLSA-N 432.440 4.207 5 20 IIBD Cc1cc(-c2nc(CS(=O)(=O)c3cc(Cl)ccc3Cl)no2)ccc1[N+](=O)[O-] 545528837 WWOPHNWJPXMQET-UHFFFAOYSA-N 428.253 4.234 5 20 IIBD Cc1cc(Cc2noc(CSc3nncn3-c3cccc(Cl)c3)n2)ccc1[N+](=O)[O-] 545784013 IXFMDULCORKWRQ-UHFFFAOYSA-N 442.888 4.403 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1Cc1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 545853827 BLRZEVBSSQULIE-UHFFFAOYSA-N 428.452 4.443 5 20 IIBD Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1c[nH]nc1[N+](=O)[O-] 548953783 HTNYOEMLISBQLV-UHFFFAOYSA-N 433.346 4.150 5 20 IIBD O=C(c1cccc2cccc(Br)c12)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 552552322 XTIRDOOGPYKTPC-UHFFFAOYSA-N 429.274 4.184 5 20 IIBD CC(C)[C@H]1N(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC12CCC2 557370683 YVXVGALMANLDSN-HXUWFJFHSA-N 443.525 4.046 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)cc1 557441902 LCOOYIYFCNHYFK-GSHUGGBRSA-N 439.512 4.198 5 20 IIBD O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCc1cccc(Oc2cccc3ccccc23)c1 560822152 AUVCZFUFTHFHIM-UHFFFAOYSA-N 429.432 4.018 5 20 IIBD O=C(Nc1cccc2cc(Br)cnc12)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 569132314 CWCBEXYQPKIBJB-UHFFFAOYSA-N 438.241 4.344 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)c1 574416261 MBDSDWMEYFNPJQ-AOMKIAJQSA-N 428.485 4.049 5 20 IIBD CC(C)C(=O)Nc1cccc(NCc2cc(I)cc([N+](=O)[O-])c2)c1 578871948 RLICPSWLPIKFEE-UHFFFAOYSA-N 439.253 4.406 5 20 IIBD COc1cc(OC)c(C2CCN(c3ncnc4sc([N+](=O)[O-])cc34)CC2)c(OC)c1 587127677 UTVAANWGYGZEMW-UHFFFAOYSA-N 430.486 4.009 5 20 IIBD COCCOc1ccc(Cc2noc(-c3cc([N+](=O)[O-])cc(Br)c3C)n2)cc1 589138767 TXMQLWZIELATNU-UHFFFAOYSA-N 448.273 4.332 5 20 IIBD Cc1cccc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c1 603502058 UJATYHRIYDZEMY-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD CCOc1ccc(Br)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])c(C)cc1C 603780483 GVLZWZKPYFBSNL-UHFFFAOYSA-N 429.292 4.174 5 20 IIBD COC(=O)c1cc(Br)ccc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 603819782 KTJQOGFHIKAOKO-SNVBAGLBSA-N 439.287 4.263 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(OC)cc2Br)c([N+](=O)[O-])cc1OC 608901103 VHPZMGJBBMNYFC-UHFFFAOYSA-N 425.235 4.026 5 20 IIBD COc1cc(Br)c(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC 608911386 CORXGSUBSLCFHN-UHFFFAOYSA-N 444.669 4.350 5 20 IIBD COc1ccc(CNC(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 608999455 PBOGLJLTZQFQCM-UHFFFAOYSA-N 442.299 4.004 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N[C@@H]2CCSc3c(F)cccc32)c1 609418297 MHOQPAZYUQJFMI-CQSZACIVSA-N 447.307 4.012 5 20 IIBD O=C(c1csc(-c2ccc(Cl)s2)n1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 609841624 WDGKGBKPZCVOKT-JTQLQIEISA-N 435.918 4.155 5 20 IIBD Cc1cc(C(=O)Nc2ccc(Oc3cccc(S(C)(=O)=O)c3)cc2)ccc1[N+](=O)[O-] 609981597 OUCWUKVXTRGFBD-UHFFFAOYSA-N 426.450 4.351 5 20 IIBD Cn1c(Sc2ncc([N+](=O)[O-])cn2)nc2scc(-c3ccccc3Cl)c2c1=O 612778437 HPNCARNFZCMGQZ-UHFFFAOYSA-N 431.886 4.165 5 20 IIBD O=C(NCCCC(=O)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 728166917 QOOWFDSLHBZUPY-UHFFFAOYSA-N 433.867 4.341 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccccc1OCc1cccs1 730613643 IKJVPSZWTMCUOF-UHFFFAOYSA-N 442.449 4.039 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)[C@@H](c1ccccc1)N1CCCCC1=O 731252400 XDOCFYLKNSVQGH-JOCHJYFZSA-N 426.469 4.179 5 20 IIBD CNC(=O)c1ccc(COC(=O)c2cc([N+](=O)[O-])ccc2Sc2nc(C)cs2)cc1 731370318 FSGSMMDHPNQCRE-UHFFFAOYSA-N 443.506 4.228 5 20 IIBD CC(=O)N(c1ccc(F)cc1)c1nc(COC(=O)c2cc(F)cc([N+](=O)[O-])c2)cs1 731529539 XAKPAXLKYXKEPT-UHFFFAOYSA-N 433.392 4.371 5 20 IIBD Nc1ccc(C(=O)Nc2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2)cc1[N+](=O)[O-] 731649189 ISCAINBTGJNCAA-NRFANRHFSA-N 430.464 4.407 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)cc1C 732524950 UPTAVDAAXQPXDF-UHFFFAOYSA-N 439.465 4.499 5 20 IIBD CCOc1ccc(-c2noc(CCC(=O)OCc3cc([N+](=O)[O-])ccc3Cl)n2)cc1 734780948 XTGMVZHCFPZYAF-UHFFFAOYSA-N 431.832 4.373 5 20 IIBD O=Cc1ccc(OCC(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)c([N+](=O)[O-])c1 735068385 WQDLNJPXRCBVQH-HKBQPEDESA-N 444.509 4.006 5 20 IIBD Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)c(Cl)c1 735351633 BPSWVJSJUVQDFY-GFCCVEGCSA-N 443.843 4.303 5 20 IIBD CN(C1CCCCC1)S(=O)(=O)c1cccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)c1 735419066 VVGNIBWVVFIJKR-UHFFFAOYSA-N 448.570 4.357 5 20 IIBD O=C(OCCOCCO)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2 740175218 COISWXFSBLPMMW-VLGSPTGOSA-N 448.475 4.186 5 20 IIBD COc1ccc(Cl)cc1C[C@@H]1CCCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 742153106 NEKXRRWWNHVKRO-INIZCTEOSA-N 441.919 4.428 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 742263723 HUDASMKVRPLPPA-OAHLLOKOSA-N 440.500 4.182 5 20 IIBD COc1ccccc1-c1noc([C@H](C)NCc2ccc(Br)c([N+](=O)[O-])c2)n1 742391021 ZPNYQHSBCXUUNH-NSHDSACASA-N 433.262 4.267 5 20 IIBD O=C(NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 744075881 TXDYHOFIBBKATQ-NWDGAFQWSA-N 449.699 4.164 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)O[C@H]2CCCN(c3ccccc3Cl)C2=O)cc1OC 744520207 FJPPNBWNDBWCMX-KRWDZBQOSA-N 448.859 4.008 5 20 IIBD C[C@@H](OC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)C(=O)NC1CC1 745937103 JFSHOUUTIMFPFE-LLVKDONJSA-N 443.506 4.180 5 20 IIBD Nc1c(Cl)cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)cc1Cl 746592137 VEGCDOHERFGQEH-UHFFFAOYSA-N 441.090 4.047 5 20 IIBD COc1ccc(C(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(OC)c1 747118229 CRNFSQFJAPEWIJ-JTQLQIEISA-N 427.331 4.059 5 20 IIBD Cc1cccc([C@@H](CC(=O)Oc2ccc(Cc3ccccc3)cc2[N+](=O)[O-])NC(N)=O)c1 749063529 CFLNIYASVASCHG-HXUWFJFHSA-N 433.464 4.199 5 20 IIBD CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC2 750106203 PVYRHAOZSMZQJO-KBPBESRZSA-N 443.422 4.228 5 20 IIBD COc1cc(C2(C(=O)OCC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])CCC2)ccc1C 750175328 GOSVNULNDUCWST-UHFFFAOYSA-N 432.860 4.169 5 20 IIBD CCn1cc(C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)c(=O)c2cc(Cl)ccc21 751646762 HUBDWTAWQBWKDF-UHFFFAOYSA-N 427.800 4.081 5 20 IIBD Cc1ccc([C@H](C)NC(=O)NCc2ccc(N(C)C(=O)c3ccncc3)cc2)cc1[N+](=O)[O-] 752013184 CRVZKNJKJMWYGN-KRWDZBQOSA-N 447.495 4.135 5 20 IIBD C[C@H](C(=O)NS(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1F 755671961 SGPDXCCUWXQUEG-AWEZNQCLSA-N 428.441 4.010 5 20 IIBD CN(Cc1cccc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)c1)C(=O)OC(C)(C)C 759943004 KWEFZSFMBYEPLC-UHFFFAOYSA-N 428.489 4.326 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)OCc2cc(=O)c(OCc3ccccc3)co2)c1 760231920 YXKRQNBQYOZZDB-UHFFFAOYSA-N 427.434 4.206 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)OCCc2cnc(C)cn2)cc1[N+](=O)[O-] 760380499 HLUHWXMTRULQQY-UHFFFAOYSA-N 437.477 4.046 5 20 IIBD CC(C)(C)OC(=O)N(CC(=O)O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 761116024 YXZKKXOZTRXIHS-ZWKOTPCHSA-N 444.488 4.260 5 20 IIBD CC(C)(C)c1ccc(C(=O)OCCNC(=O)c2ccccc2C(F)(F)F)cc1[N+](=O)[O-] 769769167 CAIYUHLPJVFGGX-UHFFFAOYSA-N 438.402 4.498 5 20 IIBD CCC(CC)n1ccc(C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)n1 770461947 MQLRXTMTJVJFSN-UHFFFAOYSA-N 426.477 4.253 5 20 IIBD Cc1cc(C[C@@H](C)NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)n(-c2ccccc2)n1 773088073 KQWHGFFVGSZTKV-CYBMUJFWSA-N 443.301 4.212 5 20 IIBD COCCOc1c(Cl)cc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)cc1Cl 773387408 DWAUYSGJUVVTDV-UHFFFAOYSA-N 433.219 4.083 5 20 IIBD O=C(O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1ccc(NC2CC2)c([N+](=O)[O-])c1 776217081 FCVYSXRGCBJOTQ-OAQYLSRUSA-N 434.408 4.419 5 20 IIBD Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776218322 OVYCGRNMECODHV-HSZRJFAPSA-N 445.479 4.072 5 20 IIBD Cc1cc(NC(=O)CCSCCC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)ccc1[N+](=O)[O-] 777131318 OESJERIFGHMQSD-UHFFFAOYSA-N 446.485 4.210 5 20 IIBD C[C@@H](OC(=O)c1cc(I)cc([N+](=O)[O-])c1)c1nc(C2CC2)cs1 781174932 KBORQARQIRETRE-MRVPVSSYSA-N 444.250 4.451 5 20 IIBD C[C@H](OC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C(=O)Nc1cccc(F)c1 781256969 IHBYOPWAGBFURB-NSHDSACASA-N 440.377 4.283 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1nc(COc2ccccc2)cs1 781567910 UMXQGMQVWYBHLG-UHFFFAOYSA-N 428.426 4.110 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N(Cc1ccc2c(c1)CCO2)C1CCCC1 781630826 MQMGHQPSRXFKRW-UHFFFAOYSA-N 439.468 4.342 5 20 IIBD O=C(CCN1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1)Nc1cc([N+](=O)[O-])ccc1F 782532066 VYYWTSDLSSTZEM-GOSISDBHSA-N 441.381 4.155 5 20 IIBD COc1ccc(NC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccsc2)cc1[N+](=O)[O-] 782623927 DQUKVYPCLSSWBA-LJQANCHMSA-N 427.482 4.433 5 20 IIBD COc1ccc(-c2noc([C@H](C)OC(=O)c3cccc([N+](=O)[O-])c3Br)n2)cc1 784632958 SOQTXWQTXLZNEP-JTQLQIEISA-N 448.229 4.334 5 20 IIBD O=C(NC[C@@H](O)c1c(F)cccc1Cl)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 787432508 QYVKFAKNKLZGKP-HXUWFJFHSA-N 444.846 4.430 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 789440127 HSTIOKSCNRFNLZ-UHFFFAOYSA-N 444.360 4.261 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@H](C)c2ccccc2Cl)c(C)c1[N+](=O)[O-] 790828746 CVUHIWBTUZARFR-GFCCVEGCSA-N 427.866 4.155 5 20 IIBD CC[C@@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C 790904950 LRNQJXSSXFDHEW-WBMJQRKESA-N 443.903 4.082 5 20 IIBD CCCc1c(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])cnn1-c1cc(C)ccn1 790932522 ZSWXXXZYDKLSAQ-UHFFFAOYSA-N 431.855 4.410 5 20 IIBD Cc1nc2c(cnn2C(C)C)cc1C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 792703683 WSWSMDDDJQVFHY-CYBMUJFWSA-N 436.428 4.197 5 20 IIBD COc1cc(/C=C2/N=C(c3ccc(C(C)(C)C)cc3)OC2=O)c([N+](=O)[O-])cc1OC(C)=O 796733205 MWAXBZDSPOFKLQ-LICLKQGHSA-N 438.436 4.171 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)c1 798332663 ZCSTZDMESFJPHH-HXUWFJFHSA-N 440.521 4.496 5 20 IIBD CC(C)(CC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC(=O)c1ccccc1 799569139 MWCWFGLNJZTPGJ-UHFFFAOYSA-N 432.860 4.419 5 20 IIBD CC[C@H](c1ccccc1OC)N(C)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 805145009 LDTMPYNCRJYIMI-OAHLLOKOSA-N 443.319 4.138 5 20 IIBD Cc1ccccc1C1CCN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 810361535 OSJWGBXJTGAYNW-UHFFFAOYSA-N 446.301 4.010 5 20 IIBD C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N2CCCCC2=O)cc1 811004718 BLNIDBFJAZSGPY-LSDHHAIUSA-N 445.903 4.410 5 20 IIBD Cc1nn(CC(F)(F)F)cc1C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811220343 GUMQCUSGOFOALB-UHFFFAOYSA-N 426.376 4.143 5 20 IIBD COc1ccc([C@H](CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])N2CCOCC2)cc1 811471643 HNBILASDKNIDTM-IBGZPJMESA-N 440.327 4.073 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cc(-c2ccco2)nn1-c1ccccc1 811748644 YBXUYVZGALSERV-UHFFFAOYSA-N 447.403 4.264 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1=S 811790310 LZEOIBOGOKIKSQ-ROUUACIJSA-N 429.546 4.000 5 20 IIBD C[C@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(N2CCCCC2=O)cc1 811892833 GANSZRQEBIJRHG-AWEZNQCLSA-N 430.892 4.326 5 20 IIBD CCc1nc(C)c([C@@H](C)N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCOC)s1 812118107 MTSLCHZWWWXHFF-CQSZACIVSA-N 430.534 4.024 5 20 IIBD CCOc1c(OC)cc(CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1OC 812953944 RRLXLIHBRTXKSI-UHFFFAOYSA-N 429.256 4.248 5 20 IIBD O=C(NC[C@@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1)c1ccccc1 813037710 YVCVMMKXNVVBHE-ZDUSSCGKSA-N 436.295 4.184 5 20 IIBD O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1cc(F)c([N+](=O)[O-])cc1F 813292345 JEUXFVCSHUZRSM-UHFFFAOYSA-N 430.264 4.469 5 20 IIBD Cc1cc(F)cc(C(=O)N2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)c1[N+](=O)[O-] 813846826 PTMWXBGOLIRWJG-MRXNPFEDSA-N 428.338 4.155 5 20 IIBD C[C@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1ccc(N2CCCOC2=O)cc1 814264041 VEERGVXUYMCOQL-HNNXBMFYSA-N 449.467 4.079 5 20 IIBD Cc1cc(C)cc(OCc2noc(COC(=O)c3cc([N+](=O)[O-])c(C)cc3Cl)n2)c1 815406465 IZWYHKHNTQFCRT-UHFFFAOYSA-N 431.832 4.492 5 20 IIBD CC[C@@H](C(=O)N1CCC(NC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1)c1ccccc1 816912510 ALKSOXQSRAMDIW-QGZVFWFLSA-N 429.904 4.163 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CC1(Cl)Cl 916568865 HQLPCTUTNHAXGN-LLVKDONJSA-N 446.312 4.010 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)CCC(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 918635037 ABWPNAYIDMDNLJ-KRWDZBQOSA-N 444.509 4.247 5 20 IIBD O=C(C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1)OCc1cc(F)ccc1[N+](=O)[O-] 919134586 DUSKFBBETHYOQC-FQEVSTJZSA-N 438.411 4.044 5 20 IIBD C[C@@H](OC(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1)C(=O)Nc1ccccc1[N+](=O)[O-] 919525007 CFFBZYCNZRLEBE-SNVBAGLBSA-N 437.330 4.159 5 20 IIBD CCOC(=O)N[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 920477899 LLHQOSXEESVUDA-HNNXBMFYSA-N 429.498 4.097 5 20 IIBD Cc1cc([C@@H](C)NC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c(C)o1 1318122936 LZERXWULAAUFQH-CYBMUJFWSA-N 440.422 4.416 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC(Cc2ccccc2C(F)(F)F)C1 1319036376 RADIKRUFLVNMDG-UHFFFAOYSA-N 430.386 4.114 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(F)cc1NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 1320823670 YUGCVUNZYZZOJD-GOSISDBHSA-N 444.419 4.213 5 20 IIBD CSCC[C@H](NC(=O)c1cccc(C)c1)c1nnc(COc2ccccc2[N+](=O)[O-])o1 1322152119 VNSUUNUPNZTWTE-INIZCTEOSA-N 442.497 4.089 5 20 IIBD Cn1cc([C@H](NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c2ccccc2)cn1 1323760200 JWWFZLNXWMEGNK-XMMPIXPASA-N 441.491 4.460 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1)c1ccc(Cl)o1 1785749008 XEGNBFRROGZMRT-UHFFFAOYSA-N 429.816 4.496 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)Nc1ccc(C2(NC(=O)c3ccco3)CCC2)cc1 1790806360 LEFFTEXPIBJIJZ-UHFFFAOYSA-N 435.436 4.263 5 20 IIBD C/C(=C\c1cccnc1)C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1 1791852635 LTJMZQFDFJONJV-JQIJEIRASA-N 445.479 4.169 5 20 IIBD C/C(=C\c1cccs1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc([N+](=O)[O-])o1 1793272508 ZKOYMDHDIMEHKV-XZERQZBASA-N 441.509 4.004 5 20 IIBD Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccs2)cc(Cl)cc1[N+](=O)[O-] 1794967276 CJRUEARRHXEJTR-QDMKHBRRSA-N 433.917 4.184 5 20 IIBD CCC(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])sc2C1 1828256873 JGAVKGATNCRCOQ-SAAWKEMMSA-N 442.541 4.113 5 20 IIBD CCC[C@H]1CC[C@H](C(=O)N2CCCC23CN(C(=O)c2cc([N+](=O)[O-])c(O)cc2C)C3)CC1 1846077436 CVTCQQQCBVCHOI-IYARVYRRSA-N 443.544 4.032 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1oc2ccccc2c1CSC 9785993 KYMCGFZNOFQOPC-LBPRGKRZSA-N 444.465 4.397 5 20 IIBD COC(=O)c1ccc(C)c(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 14663297 VFHHAXZCMCOQCA-UHFFFAOYSA-N 428.388 4.439 5 20 IIBD COc1ccc(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)c([N+](=O)[O-])c1 15548630 JSDIZQXIPZFLPI-HXUWFJFHSA-N 429.523 4.313 5 20 IIBD CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 15840063 QVYGCNLODKETHL-UHFFFAOYSA-N 445.884 4.326 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1 16748760 DREDHUUBNPSPPL-MRXNPFEDSA-N 449.463 4.400 5 20 IIBD O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 17656715 GVEFNIBRXWDWFG-HSZRJFAPSA-N 445.475 4.384 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2C(=O)NCc2cccs2)c1 20958353 XGAYTBPCAWOBRA-UHFFFAOYSA-N 445.522 4.004 5 20 IIBD O=C(COC(=O)CSc1nc2ccccc2s1)Nc1ccc([N+](=O)[O-])cc1Cl 21138465 OECHVTZCNNANRG-UHFFFAOYSA-N 437.886 4.132 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 24905660 YZCHHGMXIYYUSO-UHFFFAOYSA-N 431.876 4.056 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc2cc3ccccc3cc2c(=O)n1C 24969827 PFIKCVPXAHQLCX-UHFFFAOYSA-N 434.477 4.034 5 20 IIBD COc1ccc(C2=NN(C(=O)CN(C)Cc3ccccc3[N+](=O)[O-])[C@@H](c3ccco3)C2)cc1 26347363 QTKTYDKJFQIKJS-JOCHJYFZSA-N 448.479 4.006 5 20 IIBD CCOc1ccccc1-c1nnc(SCCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])o1 26408619 CKCTUWGTKYGTJI-UHFFFAOYSA-N 444.469 4.173 5 20 IIBD COc1ccc(Cn2nccc2NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(OC)c1 26881069 HHUBAYGHUCROGO-UHFFFAOYSA-N 438.465 4.324 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2nc(-c3c(F)cccc3F)cs2)cc([N+](=O)[O-])c1 31812248 GAZHPUBPJVJISF-UHFFFAOYSA-N 433.392 4.426 5 20 IIBD CN(Cc1ccc(Cl)s1)C(=O)c1cc([N+](=O)[O-])ccc1I 37989411 UFBRGRWDWXUOLR-UHFFFAOYSA-N 436.658 4.187 5 20 IIBD Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N(C)c3ccc([N+](=O)[O-])cc3)c2)cc1 57682042 QMDWBVOMSOWJSP-UHFFFAOYSA-N 439.493 4.005 5 20 IIBD O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CC=C(c2cccc3ccccc23)CC1 63691529 DFEMMBJEFXZLBH-UHFFFAOYSA-N 425.448 4.258 5 20 IIBD COc1cc(CNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])ccc1C 64916396 ZVJKRASGDGVMRK-UHFFFAOYSA-N 427.482 4.325 5 20 IIBD CC(C)(CNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 65063752 QKRLOFRLNICDMM-UHFFFAOYSA-N 445.324 4.013 5 20 IIBD COc1ccc(Cl)cc1-c1n[nH]c(S[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])n1 68915420 SCAOYRUTNVKEIZ-SNVBAGLBSA-N 433.877 4.161 5 20 IIBD CCOC(=O)c1c(-c2ccco2)csc1NC(=O)COc1ccc([N+](=O)[O-])cc1F 107753753 IINKWMWCWBWQMP-UHFFFAOYSA-N 434.401 4.250 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 111039196 MPLAPHUYRKCBPB-OAHLLOKOSA-N 425.464 4.016 5 20 IIBD CC(C)(C)c1ccc2cc(C(=O)N3CCN(C(=O)c4ccc([N+](=O)[O-])s4)CC3)[nH]c2c1 117056137 LHVKLICAWOTOLV-UHFFFAOYSA-N 440.525 4.033 5 20 IIBD CCOc1ccccc1N1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 215788262 MDHPOUYJZLFYSI-UHFFFAOYSA-N 438.509 4.079 5 20 IIBD Cc1cnc([C@@H](C)Nc2ccc(S(=O)(=O)NC3CCC(C)CC3)cc2[N+](=O)[O-])s1 301584230 VMMWMRMRCRYFHJ-HNFVBEJKSA-N 438.575 4.390 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[C@H]2c2cc(F)cc(Br)c2)s1 302208549 LKIPUCCIEWQFKJ-LBPRGKRZSA-N 449.323 4.303 5 20 IIBD CCN(Cc1ccc2c(c1)OCO2)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 426263947 BMRVDWSOKFLLCE-UHFFFAOYSA-N 425.363 4.074 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H]1CCC[C@@H]1OCc1ccccc1 427562523 IGUVHPCIHQJOGG-DHLKQENFSA-N 426.516 4.409 5 20 IIBD CCOc1ccc(Oc2cc(CNC(=O)COc3ccc([N+](=O)[O-])c(C)c3)ccn2)cc1 430404716 WZHOSJSIFKPWFT-UHFFFAOYSA-N 437.452 4.184 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F 431433133 JRWXUGCFNSNQDC-CQSZACIVSA-N 433.770 4.131 5 20 IIBD COc1ccc(NC(=O)N(CCn2ccnc2)Cc2cccc(Cl)c2)cc1[N+](=O)[O-] 432431955 QGONSBSGRFKBGA-UHFFFAOYSA-N 429.864 4.188 5 20 IIBD CC(C)C[C@H]1C(=O)NCCCN1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 433164636 FVDBCSYZALVLTO-FQEVSTJZSA-N 426.473 4.156 5 20 IIBD Cc1cc(C[C@@H](C)NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)n(-c2ccccc2)n1 438042642 RMZIENXHXSPKJU-QGZVFWFLSA-N 433.512 4.394 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CC)[C@@H](C)c1cc2ccccc2o1 439771603 TVTROLQVJSHKOL-AWEZNQCLSA-N 425.441 4.288 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCO[C@@]3(C[C@H]4CC[C@H]3C4)C2)cc1 440920758 UWHSCIYPDNVILI-UAVUOLJFSA-N 438.480 4.427 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H](Oc2ccccc2Cl)C1 443644256 UMJAGMYDPGIXNQ-INIZCTEOSA-N 433.892 4.129 5 20 IIBD O=C(Nc1ccc(-c2cc(O)n[nH]2)cc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444655036 ZHNRLOMSJNOROO-UHFFFAOYSA-N 432.386 4.308 5 20 IIBD CC(C)Oc1ccc(NC(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 445092309 LWDJYOLGHGLXKT-UHFFFAOYSA-N 433.892 4.113 5 20 IIBD CC(C)(C)c1csc(NC(=O)Cc2noc(/C=C/c3ccc(F)cc3[N+](=O)[O-])n2)n1 445426220 IPGTZMWECRDCLD-FNORWQNLSA-N 431.449 4.223 5 20 IIBD Cc1nn(-c2cccc(Cl)c2)c2sc(-c3nc(-c4c([N+](=O)[O-])ncn4C)no3)cc12 445577376 PVWMQVNMTVPVRC-UHFFFAOYSA-N 441.860 4.408 5 20 IIBD CC[C@@H](NC(=O)Cc1noc(-c2ccc([N+](=O)[O-])cc2Br)n1)c1ccccc1 445710718 YWMVLFZMSCNTGC-MRXNPFEDSA-N 445.273 4.217 5 20 IIBD CC[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)Oc1ccccc1F 445941856 PSJGYSFFONSNMY-CQSZACIVSA-N 425.254 4.013 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H](c1ccc(F)cc1)C(F)(F)F 446186795 BAESGZYQOYZCIS-OAHLLOKOSA-N 435.171 4.459 5 20 IIBD COCCCOc1cc(C)ccc1CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 447078425 PAAYESOLYHSUEH-UHFFFAOYSA-N 427.501 4.167 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(NC(=O)c2ccccc2)nc1 460285119 YHDDNLAYJSJAHQ-UHFFFAOYSA-N 440.843 4.303 5 20 IIBD Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)cc2)n1 461574564 USMXARSUPMRTMC-KRWDZBQOSA-N 430.468 4.074 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(C(=O)Nc2cccnc2)cc1 461681313 GKYNZKYKRWJECU-HNNXBMFYSA-N 436.493 4.039 5 20 IIBD COc1cc(N[C@@H](C)c2ccc(Br)cc2OCCCO)c(F)cc1[N+](=O)[O-] 461996159 TVARVAWBASDMQK-NSHDSACASA-N 443.269 4.439 5 20 IIBD C[C@H](NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c2ccccc12 462848049 LNOUOYBMQWHUHB-AWEZNQCLSA-N 440.887 4.078 5 20 IIBD CC1CCN(c2ccc(C(=O)N3C[C@@H](n4cccn4)Cc4ccccc43)cc2[N+](=O)[O-])CC1 464425340 DMZUMCVVFRDQNA-NRFANRHFSA-N 445.523 4.472 5 20 IIBD Cc1cccc([C@@H]2CCCCN2C(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)c1C 464587819 MHMGJIABYSNRKG-FQEVSTJZSA-N 446.507 4.433 5 20 IIBD O=C(NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)c1c(Cl)cccc1[N+](=O)[O-] 464636795 XYISRBYVMLEHFW-UHFFFAOYSA-N 440.765 4.333 5 20 IIBD C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 465034891 KNRNKHPGPNEIMQ-LLVKDONJSA-N 425.268 4.435 5 20 IIBD CCN(CC)[C@H](CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccsc1 465528165 IVMOFCWCHMHDTR-OAQYLSRUSA-N 446.573 4.292 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C)c(NC(=O)CCN(C)C)c1 466242677 FSVBBFWAIUNANF-GOSISDBHSA-N 426.517 4.001 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2 466243334 GQEDIFLPIFYUGL-KRWDZBQOSA-N 437.521 4.409 5 20 IIBD Cc1cccc(CCNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n1 467905109 ZVIPROYCLJNDOC-UHFFFAOYSA-N 441.491 4.052 5 20 IIBD COC(=O)c1ccc(C(C)C)c(NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)c1 468196694 WVEFXDIPALPWQK-UHFFFAOYSA-N 432.498 4.385 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)Cc1ccc(F)c(Br)c1 471044123 KJWGNEOEFLBNDZ-LLVKDONJSA-N 425.254 4.256 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)ccc2O[C@@H](C)COC)cc1OC 471183003 VVEZANKNFSTGEW-LBPRGKRZSA-N 438.864 4.322 5 20 IIBD O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 472570881 QEIBQZCHXGOXGA-FQEVSTJZSA-N 446.438 4.102 5 20 IIBD COc1cc(C(=O)Nc2cn(C)c(=O)cc2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 473944376 KKKOUMOAEIJKAU-UHFFFAOYSA-N 443.843 4.309 5 20 IIBD Cc1ccc(I)cc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F 476305225 KAPIMGPNPLXSLR-JTQLQIEISA-N 428.201 4.389 5 20 IIBD Cc1cnc(OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)c([N+](=O)[O-])c1 477160747 YBKLAOJVRRWDBN-KRWDZBQOSA-N 440.843 4.301 5 20 IIBD CCOC(=O)c1c(NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)sc2c1CCSC2 477832678 RHHDOIVXEXHVSE-UHFFFAOYSA-N 436.511 4.192 5 20 IIBD CC1(C)C[C@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)C(C)(C)O1 478049473 MDSRSVROSAGWOF-HNNXBMFYSA-N 449.554 4.208 5 20 IIBD Cc1ccc([C@@H](C)N[C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)cc1[N+](=O)[O-] 479408363 NDEOTNUNVSGVSV-MNOVXSKESA-N 432.329 4.269 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 479807885 TYVKIRKBBIFAJY-MRXNPFEDSA-N 447.495 4.213 5 20 IIBD CCn1c(S[C@H]2CCN(c3ccc(Cl)cc3)C2=O)nnc1-c1ccc([N+](=O)[O-])cc1 481348429 PXMIDHFXSUTKML-KRWDZBQOSA-N 443.916 4.424 5 20 IIBD CC(C)n1ncc2c1C[C@H](NC(=O)c1cc(F)cc3c(=O)c4cccc(F)c4[nH]c13)CC2 481450136 IRCGHIBYCJUZRJ-OAHLLOKOSA-N 436.462 4.024 5 20 IIBD CSc1ccc(C(=O)N2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)cc1[N+](=O)[O-] 481872678 USSHXUKUKWKHFI-PMACEKPBSA-N 425.554 4.443 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(-c2ccc(Br)s2)nn1 484607235 QTHSXDPPOWBCII-UHFFFAOYSA-N 435.259 4.137 5 20 IIBD COC(=O)COc1ccc(CNc2ccc(Oc3ccccc3F)nc2)cc1[N+](=O)[O-] 485960823 XPSWNKUWHCJYQI-UHFFFAOYSA-N 427.388 4.085 5 20 IIBD COc1cc(OCC(=O)Nc2cc(Br)cc(OC(C)C)c2)ccc1[N+](=O)[O-] 487414343 QADMZEAVUVNBSK-UHFFFAOYSA-N 439.262 4.171 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cn2)nnc1-c1ccc([N+](=O)[O-])cc1 489414590 UTBAAWCPMVIASA-NSHDSACASA-N 432.893 4.041 5 20 IIBD CC[C@@H]1Oc2cc([C@H](C)NC(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)ccc2NC1=O 489442139 UPFHKEVZRXSMBO-NJSLBKSFSA-N 426.473 4.134 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn23)C1 493889545 WFXBZOFQMCDMLE-CYBMUJFWSA-N 435.406 4.045 5 20 IIBD Cc1nn(CCC(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)c(C)c1[N+](=O)[O-] 494255335 AALDUOBJIRKUQM-MRXNPFEDSA-N 436.896 4.038 5 20 IIBD Cc1nc(CCNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)c(C)o1 497458235 CIUFCBDWJBHDFH-UHFFFAOYSA-N 428.876 4.438 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1 497918955 XILUNAGNZNUQHI-UHFFFAOYSA-N 449.482 4.204 5 20 IIBD O=c1c2ccc([N+](=O)[O-])cc2ncn1Cc1csc(COc2ccc(Cl)cc2)n1 498027817 LGRJJASHIFJGHB-UHFFFAOYSA-N 428.857 4.042 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(C[S@@](=O)Cc3ccc(Oc4ccccc4)nn3)co2)cc1 498385142 NBZPFWOFKNFONC-HKBQPEDESA-N 436.449 4.281 5 20 IIBD CN(Cc1cccc(Br)c1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 499315412 LAFUHTLBFBDEDQ-UHFFFAOYSA-N 432.318 4.232 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1nc(Cc2ccccc2)cs1 500237214 DGWDCSQDVFRRQJ-UHFFFAOYSA-N 438.509 4.018 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1COc2cc(F)c(Br)cc21 501296432 SRIOXGHADGHHEB-VFZGTOFNSA-N 441.278 4.227 5 20 IIBD Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F 501721714 GJGHHJFHPGPVCR-UHFFFAOYSA-N 428.314 4.254 5 20 IIBD CCCCCn1cc(CNC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c(C)n1 503117982 CKNDXHCSLQUZQY-UHFFFAOYSA-N 438.532 4.082 5 20 IIBD COC(=O)CCc1c(C)nn(-c2ccc(-c3nc(-c4cccc([N+](=O)[O-])c4)no3)cc2)c1C 505019780 WUJNDGWHJHIEIM-UHFFFAOYSA-N 447.451 4.220 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccc(OC)cc2)C(F)(F)F)cc1OC 505353028 NFYMCRAVUAENPC-QGZVFWFLSA-N 428.363 4.044 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(COC2CCOCC2)cc1 506036652 BGIZKCUXKUFMTE-UHFFFAOYSA-N 441.528 4.411 5 20 IIBD CCCNC(=O)C1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 506358663 YXSQBMUPADWOOL-UHFFFAOYSA-N 447.539 4.186 5 20 IIBD Cc1ccc(Sc2ccc(CN(C3CC3)[C@@H]3CCS(=O)(=O)C3)cc2[N+](=O)[O-])cc1 507296861 CZTMZBCCXLZZED-GOSISDBHSA-N 432.567 4.206 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@H](c1cccs1)C1CC1 509126676 VZTFNYLWJWUZKS-HNNXBMFYSA-N 442.278 4.450 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CCCC(F)(F)F 511400778 WPICBCBEZHVIQM-QMMMGPOBSA-N 444.191 4.359 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCc2c(ncn2-c2ccc(F)cc2)C1 511791420 HYECZNBHQZPDGX-UHFFFAOYSA-N 434.349 4.137 5 20 IIBD COCCN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)[C@@H](C)c1cccc(C(F)(F)F)c1 511963555 HJCXLMQRQBDMKK-ZDUSSCGKSA-N 426.391 4.472 5 20 IIBD COc1cc(C)c([C@@H](C)NC(=O)CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1OC 513386023 DXXHHXTYZZHULS-QGZVFWFLSA-N 429.517 4.008 5 20 IIBD COc1cc(C(=O)N2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)cc([N+](=O)[O-])c1C 518611477 YMAFCLGEVVXTRG-GOSISDBHSA-N 440.374 4.024 5 20 IIBD CCOCc1ccccc1-c1noc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 519563868 CSSMZIJFVTUBHA-FQEVSTJZSA-N 436.468 4.467 5 20 IIBD CC[C@H](C)N(C)CCNC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 520536764 SMFRERBFIZWDIL-HNNXBMFYSA-N 429.542 4.008 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1(c2ccc(Cl)cc2)CCCC1 521320965 VSRNVYGBTSRXFY-UHFFFAOYSA-N 431.876 4.171 5 20 IIBD C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)COc1ccc([N+](=O)[O-])cc1Br 523110022 KRSAHKMCMGENTG-JTQLQIEISA-N 429.217 4.234 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCCN(c2ncnc3sccc23)C1 525285700 DAYCRSUCILAPLM-LLVKDONJSA-N 449.439 4.056 5 20 IIBD COC(=O)[C@H](c1ccccc1)N(C)C(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 525688849 XQMMFFPEZCGNSS-YVHKJVDXSA-N 439.512 4.063 5 20 IIBD COc1cc(CN(C)Cc2nc(C(F)(F)F)cs2)c([N+](=O)[O-])cc1OC(F)F 531104475 BOJDNZFWBLVTPB-UHFFFAOYSA-N 427.351 4.312 5 20 IIBD O=C(Nc1cccc(F)c1)C1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 532692547 RDAHYVLDDAGKSG-UHFFFAOYSA-N 438.459 4.282 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CNc3cccc(S(=O)(=O)N4CCCCC4)c3)co2)cc1 534058504 CLQBTLVXUDLQSE-UHFFFAOYSA-N 442.497 4.037 5 20 IIBD C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cc(I)cc([N+](=O)[O-])c1 535023894 FFUFRXWTMHEUTD-SECBINFHSA-N 446.191 4.311 5 20 IIBD O=C(NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 535462754 DRVFQXFVVKXQGZ-IBGZPJMESA-N 444.491 4.117 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(C(=O)N2CCc3ccccc32)cc1 536250486 YJXAMZLUKDZUQF-UHFFFAOYSA-N 440.459 4.460 5 20 IIBD COc1cc(CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 537724762 KRRVPPKXDLOMDK-GCJKJVERSA-N 436.512 4.462 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2ccn(CC(=O)NC)c2c1 538557836 YSWPTEXDAMCIQK-UHFFFAOYSA-N 440.525 4.440 5 20 IIBD Cc1cc(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] 539652550 HFJAJYLJVNYMAS-VQIMIIECSA-N 435.402 4.470 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN([C@@H](C)c2nc(-c3ccccc3)no2)CC1 539845521 PEUPHYGECUUUEN-SFHVURJKSA-N 449.511 4.089 5 20 IIBD Cc1cc(NC(=O)c2nn(-c3cccc(C(F)(F)F)c3)c(C)cc2=O)ccc1[N+](=O)[O-] 540751718 KFJVBMJVXZKSHX-UHFFFAOYSA-N 432.358 4.029 5 20 IIBD CC[C@@](C)(CO)NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 541993948 YZXXBNVCVMTGRU-KFGZODLXSA-N 425.510 4.412 5 20 IIBD CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCCOC)CCN1Cc1ccccc1 544766738 BBPLARIDLRJQIB-LJQANCHMSA-N 443.569 4.070 5 20 IIBD COc1cc(Cc2noc(-c3n[nH]c4ccc([N+](=O)[O-])cc34)n2)ccc1OCC(F)(F)F 546349228 NFEBCACWELTFBQ-UHFFFAOYSA-N 449.345 4.062 5 20 IIBD CC(C)S(=O)(=O)c1cccc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)c1 546730852 IQUZXAOETZQWHV-UHFFFAOYSA-N 445.522 4.177 5 20 IIBD COc1cc(-c2nc(Cc3ccc(OCc4ccccn4)cc3)no2)cc([N+](=O)[O-])c1OC 546988279 KBSYTHITBDWMID-UHFFFAOYSA-N 448.435 4.227 5 20 IIBD Cc1cc(F)ccc1C1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 552973896 ZZHQHSXSOMVYCS-SFHVURJKSA-N 445.516 4.115 5 20 IIBD COc1cc(C(=O)N[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)cc([N+](=O)[O-])c1OC 553288891 TWKTWVAXQFUNQA-KRWDZBQOSA-N 440.374 4.392 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)cc1[N+](=O)[O-])c1ccccn1 553862288 RANJNKKAOGQNRN-MSOLQXFVSA-N 437.544 4.109 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 557093339 XTDDXMMPWVOCGF-RTBURBONSA-N 449.429 4.186 5 20 IIBD Cc1cc(C)n(-c2ccc(CCN[C@@H](c3ccc([N+](=O)[O-])cc3)c3nccn3C)cc2)n1 560514116 RNRRMEMIMPDYIM-QHCPKHFHSA-N 430.512 4.053 5 20 IIBD CC(C)c1ccc(C(=O)N[C@@H](CO)c2ccc(Br)c(F)c2)cc1[N+](=O)[O-] 561775067 DRSSLWAFUIRYDM-INIZCTEOSA-N 425.254 4.083 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(-c3sc(N4CCOCC4)nc3-c3ccccc3)n2)c1 563478197 MRBOVZRYANWXOR-UHFFFAOYSA-N 435.465 4.272 5 20 IIBD Cc1occc1-c1noc(-c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)n1 564456412 JHPDGPAFWGUTSS-UHFFFAOYSA-N 426.410 4.014 5 20 IIBD O=C(Nc1cc2c(cc1Br)CCC2)N1CCOc2ccc([N+](=O)[O-])cc2C1 581064698 XDZJVKUXLUYPSO-UHFFFAOYSA-N 432.274 4.273 5 20 IIBD CC(=O)N1CCCN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c2ccccc21 585699860 UYNNAXUDRJJVGB-UHFFFAOYSA-N 432.274 4.069 5 20 IIBD COc1cccc(N(CC(C)C)C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1 603548601 LWOFFSGLTYKRFG-UHFFFAOYSA-N 441.513 4.186 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N(Cc1ccco1)CC(F)(F)F 603732536 UAIPBGMFXNXBDA-UHFFFAOYSA-N 426.269 4.334 5 20 IIBD COc1ccc(C)cc1-c1csc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)n1 603733834 MLFZREZZFXHRTA-UHFFFAOYSA-N 435.465 4.473 5 20 IIBD CCCC(=O)Nc1ccc(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 603761377 CCXMFFIYGHYRLU-UHFFFAOYSA-N 439.390 4.205 5 20 IIBD O=C(Nc1ccc(Sc2nncs2)c(Cl)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 609107831 XBUZQNPVYPFRGU-UHFFFAOYSA-N 436.858 4.232 5 20 IIBD O=C(Nc1ccc(NC(=O)C2CC2)nc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 609430173 WGDQDUYQGBRPQY-UHFFFAOYSA-N 431.452 4.203 5 20 IIBD CCc1nnc([C@H](C)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)o1 609495078 OFUYWOPBQKIWHA-HNNXBMFYSA-N 427.530 4.148 5 20 IIBD C[C@H](NC(=O)N1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1)c1cccc([N+](=O)[O-])c1 609640267 IQBOOWVPDZLHJV-HOTGVXAUSA-N 443.479 4.038 5 20 IIBD COc1ccc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c(Br)c1 609724282 OEPPJFSVLPAFOJ-UHFFFAOYSA-N 429.654 4.427 5 20 IIBD C[C@@H](Cc1cccc(Br)c1)NC(=O)c1ccc([N+](=O)[O-])cc1Br 610042436 YCPUCVMGPIGKIO-JTQLQIEISA-N 442.107 4.481 5 20 IIBD C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 610141486 GBERPJLMKXFVQA-OAHLLOKOSA-N 434.443 4.325 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N[C@H]1CCC(F)(F)C1 610791082 STLSULPAMHPWLJ-KRWDZBQOSA-N 426.423 4.294 5 20 IIBD COc1ccccc1[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 613342630 CUDWMNDZFJMAMX-QGZVFWFLSA-N 427.482 4.068 5 20 IIBD COC(=O)c1cc(NC(=O)N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)c(C)c([N+](=O)[O-])c1 617019879 FESMFRUXQOEFDF-DYESRHJHSA-N 441.484 4.321 5 20 IIBD COc1cccc2c1OC[C@@H](NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])C2 619652338 UXULWRJUEJNICH-INIZCTEOSA-N 436.489 4.488 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1ccc(Br)nc1 725332270 BLUVSUMKQQEECQ-UHFFFAOYSA-N 426.226 4.236 5 20 IIBD Cc1ccc(-c2ccncc2)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 726153289 UYCVKXMCKIZMSG-QGZVFWFLSA-N 434.427 4.096 5 20 IIBD O=C(CSc1nnc(-c2cccs2)n1C1CC1)Nc1cc([N+](=O)[O-])c(F)cc1F 728462414 UOTAPGLAFGQLBT-UHFFFAOYSA-N 437.453 4.259 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1SC 728650068 CIYCFRODHANTHD-UHFFFAOYSA-N 445.280 4.428 5 20 IIBD C[C@H](OC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 730376703 LDGYCJLKWYYRID-NSHDSACASA-N 449.250 4.271 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccccc2CN(C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 731981460 AJBDSEJYTXIKJC-UHFFFAOYSA-N 444.444 4.431 5 20 IIBD CCCCN(C)c1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 731990207 CFLOGLHQYXWYCH-QGZVFWFLSA-N 430.530 4.136 5 20 IIBD O=C(O[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1ccc([N+](=O)[O-])cc1Cl 733387895 HUMRXYSGQOSECX-HNNXBMFYSA-N 428.750 4.229 5 20 IIBD C[C@H](CC(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(F)cc1 733521068 HGINHWASRDMHCN-LLVKDONJSA-N 428.338 4.428 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)OCCc2ccc3ccccc3c2)cc1[N+](=O)[O-] 733859685 PFKIKZLUWWLSSZ-UHFFFAOYSA-N 434.477 4.427 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cc(-c2ccccc2Br)no1 734358388 HHDWGAMBHNHZRT-UHFFFAOYSA-N 431.246 4.453 5 20 IIBD COCCOC1CCN([C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)CC1 735077662 DJUMABNTJSYUML-NRFANRHFSA-N 447.919 4.055 5 20 IIBD Cc1nn(CCC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c(C)c1[N+](=O)[O-] 735250689 HYPVDWDOYDWTNC-UHFFFAOYSA-N 425.401 4.137 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)CCNC(=O)c1ccc(Br)cc1 735643391 MPXNPKRVVMLSES-UHFFFAOYSA-N 441.665 4.045 5 20 IIBD CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2sc(C)nc2C)NC(=O)N1CC1CC1 736538241 IULYDGLYCMGMRY-GOSISDBHSA-N 441.513 4.057 5 20 IIBD COc1ccc(C(=O)COC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1Br 736866107 JZCRBAYBOKLFND-UHFFFAOYSA-N 428.622 4.059 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N1CC[C@@H](CN2CCCC2)C1 739926627 QDQFYUBZXSZUMN-JTSKRJEESA-N 442.947 4.346 5 20 IIBD COc1cc(C=O)cc(Cl)c1OS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 742269712 CNRUCEJZAHJYFS-UHFFFAOYSA-N 440.644 4.144 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 742557457 FTSMUDKFMJWZNZ-LJQANCHMSA-N 429.521 4.014 5 20 IIBD COC(=O)C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cccc(Cl)c1 743794638 JMEVLJRAAOIDOT-HXUWFJFHSA-N 448.906 4.229 5 20 IIBD Cc1ccccc1C1(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCOCC1 744859577 VBHCRGPCXYQIDP-MRXNPFEDSA-N 437.452 4.306 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1 746439203 IQFARDSRXMFYGV-OAHLLOKOSA-N 446.419 4.199 5 20 IIBD CC(C)[C@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N1C[C@@H](C)C[C@@H](C)C1 747963679 YPLKBNVTDJDSGQ-KHYOSLBOSA-N 445.541 4.404 5 20 IIBD Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)OCCn1cc([N+](=O)[O-])cn1 748111805 URUWHHLSPGXYAR-UHFFFAOYSA-N 426.376 4.099 5 20 IIBD Cc1c(C(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748706777 HZGRPDJLSQPSTO-UHFFFAOYSA-N 446.891 4.121 5 20 IIBD O=C(NCCCCNc1ccccn1)c1cc(Br)cc([N+](=O)[O-])c1Cl 749428296 AGYAEMLJQZUBRK-UHFFFAOYSA-N 427.686 4.028 5 20 IIBD O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 750096876 RILAHKGMYQHVKP-MOPGFXCFSA-N 438.311 4.428 5 20 IIBD NC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Br)sc2c1CCCCC2 751051411 VCPWZMOZPLKYFT-UHFFFAOYSA-N 438.303 4.039 5 20 IIBD CCOC(=O)C1(C(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)CCC1 751562830 CEAZUBASXQLXKU-UHFFFAOYSA-N 446.843 4.139 5 20 IIBD O=C1N(CN2CCC[C@H](c3nc4ccccc4s3)C2)CCN1c1ccccc1[N+](=O)[O-] 752786426 NXOBZWJILBSGHI-INIZCTEOSA-N 437.525 4.284 5 20 IIBD Cc1ccc(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])cc1S(=O)(=O)N1CCCCCC1 753350482 VLXYXVIFCKVATM-UHFFFAOYSA-N 449.504 4.168 5 20 IIBD C[C@H](OC(=O)c1cncc2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 753883269 SMQNVPYBQHSUKV-NSHDSACASA-N 433.342 4.346 5 20 IIBD O=C(COC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccccc1Cc1ccccc1 758729842 BTVAWKZMZPTVCL-UHFFFAOYSA-N 443.459 4.391 5 20 IIBD Cc1nn(C)c2nc(C3CC3)cc(C(=O)OCc3coc(-c4ccc([N+](=O)[O-])cc4)n3)c12 760468897 DEMTXVNCMPRXRX-UHFFFAOYSA-N 433.424 4.074 5 20 IIBD C[C@@H](C(=O)OCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cccc([N+](=O)[O-])c1 763393340 LSCPBDPSDKXMAJ-OAHLLOKOSA-N 440.452 4.312 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](CCN2CCCC2=O)c2ccccc21 764283328 QMXLONHPLLRYTN-INIZCTEOSA-N 439.537 4.463 5 20 IIBD C[C@@H](Nc1ccc(C(=O)O[C@H]2CCOC3(CCOCC3)C2)cc1[N+](=O)[O-])c1ccccn1 765682892 HPRYAOCAOLXVMI-AEFFLSMTSA-N 441.484 4.048 5 20 IIBD Cc1ccccc1-c1nnc(C)n1-c1ccc(OC(=O)COc2ccccc2[N+](=O)[O-])cc1 766558318 UAEBETHDRJXBLY-UHFFFAOYSA-N 444.447 4.444 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(NC[C@H](O)c3cccc(OCc4ccccc4)c3)CC2)cc1 766595770 NNOMVOHHHVXQEQ-SANMLTNESA-N 447.535 4.466 5 20 IIBD Cc1sc(S(=O)(=O)Nc2ccc(CC[C@@H](O)c3ccccc3)cc2)cc1[N+](=O)[O-] 767456909 MSLKQIWTTHJCFI-LJQANCHMSA-N 432.523 4.432 5 20 IIBD CC(=O)OCCCc1cccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 768429846 JLQZLDNBVVVUBP-UHFFFAOYSA-N 425.466 4.466 5 20 IIBD COc1cccc(Br)c1OC(=O)c1ccc([N+](=O)[O-])cc1Br 769718674 YUAPFBOCEOAWKV-UHFFFAOYSA-N 431.036 4.348 5 20 IIBD Cc1cc(-n2c(C)cc(C(=O)COc3c(Br)cccc3[N+](=O)[O-])c2C)no1 769874431 UDCKFIVPGFYBCA-UHFFFAOYSA-N 434.246 4.323 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 770008776 FNMGFNFGPNMWRE-UHFFFAOYSA-N 441.271 4.369 5 20 IIBD Cc1c(Cl)cccc1NC(=O)COC(=O)c1cc(Br)cc([N+](=O)[O-])c1 770155633 FTMIZEVBKRALNB-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD COc1ccc(-c2ccc(CN3CCOC[C@@H]3C[C@H](O)c3ccccc3)o2)c([N+](=O)[O-])c1 770353451 MALCXDCJTIARBU-MBSDFSHPSA-N 438.480 4.188 5 20 IIBD CCc1cc(N(C)CC(=O)Nc2ccccc2Cl)nc(-c2ccc([N+](=O)[O-])cc2)n1 771144044 CESGGUWGFNQDAZ-UHFFFAOYSA-N 425.876 4.343 5 20 IIBD C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[C@H]1NC(=O)OC(C)(C)C 771768055 ZKTOFGYSWGDZRJ-SMDDNHRTSA-N 446.426 4.381 5 20 IIBD Cc1noc(C)c1-c1csc(=Nc2ccc(C(N)=O)cc2)n1Cc1ccc([N+](=O)[O-])cc1 771912349 HOHJNFXHMCMMBG-UHFFFAOYSA-N 449.492 4.109 5 20 IIBD COCCCOc1ccc(Cl)cc1S(=O)(=O)Oc1cc([N+](=O)[O-])ccc1Cl 772792307 QVWUIEGUKXOUHV-UHFFFAOYSA-N 436.269 4.085 5 20 IIBD CC(C)([C@H](OC(=O)C[C@@H]1C(=O)Nc2ccccc21)c1ccc(Br)cc1)[N+](=O)[O-] 774371021 XVOWVFJOUKKYAI-MAUKXSAKSA-N 447.285 4.215 5 20 IIBD O=C(Nc1ccc(F)cc1)c1ccc(CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc1 778036205 HFUGPZSALZFPEE-UHFFFAOYSA-N 443.381 4.394 5 20 IIBD Cc1nc(-c2ccccc2)sc1CNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781629610 XPSIHWVEBYAXBG-UHFFFAOYSA-N 426.454 4.184 5 20 IIBD O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1cccc([N+](=O)[O-])c1Br 781677056 BUAZULXBUKXXDP-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](O)c1cccc(OCc2ccccc2)c1 782072463 ZOZZKFONDJSWSZ-NRFANRHFSA-N 437.452 4.038 5 20 IIBD C[C@H](C(=O)OCC(=O)N(C)C(c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 784994193 UZXRPLQUDFRVMC-SFHVURJKSA-N 432.476 4.490 5 20 IIBD Cc1ccc(Br)nc1C(=O)OCc1ccc([N+](=O)[O-])cc1Br 786392103 ZNBYELPESUHFKS-UHFFFAOYSA-N 430.052 4.180 5 20 IIBD O=C(Cc1csc(-c2ccoc2)n1)O[C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 787021317 DLHWTLBIYSZYGJ-INIZCTEOSA-N 431.445 4.205 5 20 IIBD O=[N+]([O-])c1cccc(NS(=O)(=O)c2cc(F)c(Br)cc2F)c1Cl 788217764 UZSMNJKGLNLPHL-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD C[C@@H](NC(=O)N1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2)c1cccc([N+](=O)[O-])c1 790215572 KVMTYNFJAFKSPM-QGZVFWFLSA-N 446.548 4.479 5 20 IIBD CCOc1cc(OS(=O)(=O)c2cc3ccc(Cl)nc3cc2F)ccc1[N+](=O)[O-] 790924275 JILMHXADCPLKIR-UHFFFAOYSA-N 426.809 4.102 5 20 IIBD CC(C)c1ccc(C(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)cc1[N+](=O)[O-] 794039141 SRIKTUKBWXIIPK-LJQANCHMSA-N 439.512 4.497 5 20 IIBD C[C@H](OC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 796443129 CBJVRPGYUKPSIJ-LBPRGKRZSA-N 426.385 4.135 5 20 IIBD CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 796811989 LDCXTFVXOGNAJG-OALUTQOASA-N 441.484 4.268 5 20 IIBD Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC(O)(c2scnc2Br)CC1 797438419 RBILDDSWINAFRP-UHFFFAOYSA-N 432.727 4.264 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c1 798327599 LFXZUSRGHUZCNL-QFIPXVFZSA-N 432.904 4.298 5 20 IIBD Cc1c(C(=O)OCc2c(F)cc([N+](=O)[O-])cc2F)sc2nc3n(c(=O)c12)CCCCC3 803212154 VRFILXQOLMGKFA-UHFFFAOYSA-N 449.435 4.036 5 20 IIBD O=C(CN[C@@H](c1ccccc1)[C@H](O)c1ccccc1)Nc1cc(Cl)ccc1[N+](=O)[O-] 808786823 FCURZYINUIXIJL-FCHUYYIVSA-N 425.872 4.251 5 20 IIBD O=C(COC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])Nc1ccc(OC(F)F)cc1 811373231 UAENSPOXFVALQW-UHFFFAOYSA-N 435.166 4.299 5 20 IIBD CN(C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]1CCN(c2ccccc2Cl)C1=O 812991172 CJGRPMYMPRUMDO-HNNXBMFYSA-N 442.686 4.433 5 20 IIBD COc1ccc(-c2ncc(C(=O)O[C@H]3CCN(Cc4cccc([N+](=O)[O-])c4)C3)s2)cc1 813173274 ZQYPAQNNEAWUJE-IBGZPJMESA-N 439.493 4.158 5 20 IIBD O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCn3c(CCc4ccccc4)nnc3C2)c1 815071892 YLALTFCVIUEMGO-UHFFFAOYSA-N 431.418 4.006 5 20 IIBD Nc1ccc(NC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] 819909726 GMVKRMNVXJNGPK-HYBUGGRVSA-N 444.491 4.296 5 20 IIBD Cc1cccc(O[C@@H](C)C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 848977141 IJTMJBVZNGBICM-OLZOCXBDSA-N 440.374 4.260 5 20 IIBD C[C@@H](OC(=O)CCOc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1Cl 915450230 CVOLRTGRSZUJQS-LLVKDONJSA-N 427.240 4.241 5 20 IIBD C[C@@H](NC(=S)NNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 915994422 HKMJEYYSCFGNPV-SECBINFHSA-N 429.380 4.074 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NCc2ccc(CN3CCC[C@@H](C)C3)cc2)c1[N+](=O)[O-] 917068440 WWZIKBNQJURGIF-OAHLLOKOSA-N 428.489 4.148 5 20 IIBD CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cc1Cl 917782380 CTROHFXUEZTQAT-LBPRGKRZSA-N 435.839 4.168 5 20 IIBD CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 921115589 HQKNJRYPJVFTNW-CYBMUJFWSA-N 444.435 4.107 5 20 IIBD O=C(NC1CCC(O)(C(F)(F)F)CC1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 1116828884 AALSBMQFPCPZIB-UHFFFAOYSA-N 438.402 4.140 5 20 IIBD O=C1COc2ccccc2N1CCNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 1318372328 OXRCMDVHKJBERG-UHFFFAOYSA-N 437.427 4.041 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCC(c2ccc(Br)cc2)CC1 1322665229 ZDHYILSKRIXNHP-UHFFFAOYSA-N 443.301 4.113 5 20 IIBD Cc1ccc2[nH]c(C(=O)OCCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)c(Cl)c2c1 1322943527 XCWQXLCTPWVDMS-UHFFFAOYSA-N 429.816 4.193 5 20 IIBD O=C(OCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 1343328533 RXRPWVQJMBTCPM-FQEVSTJZSA-N 432.476 4.386 5 20 IIBD O=C(/C=C/c1ccco1)Nc1ccc(C2(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)CCC2)cc1 1786915212 POAMMQLJUVWAJC-PKNBQFBNSA-N 447.447 4.355 5 20 IIBD O=C(/C=C/c1cccnc1)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1 1786921975 XWGQJOAHRKXUIB-ONNFQVAWSA-N 432.436 4.044 5 20 IIBD Cc1cncc(C(=O)Nc2ccc(C3(NC(=O)Cc4cccc([N+](=O)[O-])c4)CCC3)cc2)c1 1787428060 KINMZAAHWRWYRN-UHFFFAOYSA-N 444.491 4.289 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@H](F)c3ccccc3)CCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 1790184393 NFPVLHAYZAXWTL-HXUWFJFHSA-N 436.443 4.381 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)Nc1ccc(C2(NC(=O)c3ccncc3)CCC2)cc1 1790770501 GYLIAFVOJHYJJL-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD Cc1cc(CCCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2CCCC2)C3)c([N+](=O)[O-])cc1F 1793401957 LFMOSHQAXOVAJQ-ACDBMABISA-N 445.535 4.193 5 20 IIBD Cc1cc(C)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc([N+](=O)[O-])cc2F)c(C)c1 1800351823 FVPNSEGBUABOBV-BCDXTJNWSA-N 439.487 4.225 5 20 IIBD Cc1ccsc1C(=O)N1CCCC2(CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC2)C1 1808082394 OETRZUQCZMIVSN-UHFFFAOYSA-N 445.516 4.262 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccccc2)[nH]n1)c1ccc([N+](=O)[O-])o1 1814311715 KLCJJMOOBLNMBF-JZXOWHBKSA-N 449.467 4.021 5 20 IIBD CC/C=C(\C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1832519664 PZPBBDHUDCXUGX-WZOILOKLSA-N 431.508 4.324 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCC(c2c[nH]c3ccccc23)CC1 10883547 TUTRSQZQZAIDID-UHFFFAOYSA-N 448.479 4.170 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1ccc(Br)cc1)c1ccccc1[N+](=O)[O-] 12860698 WHMZXJXJRLRJKD-MRXNPFEDSA-N 435.274 4.170 5 20 IIBD COc1c([N+](=O)[O-])cc(NC[C@H](c2cccs2)N(C)C)c([N+](=O)[O-])c1Br 14215288 FNMPDVCDHOFODD-LLVKDONJSA-N 445.295 4.050 5 20 IIBD Cc1ccc(-c2csc(NC(=O)CSc3ccc(C(N)=O)cc3[N+](=O)[O-])n2)c(C)c1 14393141 NIOVOUARBHYRBL-UHFFFAOYSA-N 442.522 4.165 5 20 IIBD COc1ccccc1NC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cc1 15313427 FBPRSNLPNJOXMC-UHFFFAOYSA-N 434.452 4.174 5 20 IIBD COc1cc(CCNC(=O)c2sc(-c3cccs3)nc2C)c([N+](=O)[O-])cc1OC 16144069 RSRXTAZFIYLSDX-UHFFFAOYSA-N 433.511 4.078 5 20 IIBD COc1ccc(-c2nc(C)c(C(=O)O[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)s2)cc1 19618640 RWXUDGQMGRDVHS-CYBMUJFWSA-N 441.465 4.219 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCc3cn4ccccc4n3)cc2[N+](=O)[O-])n1 28833102 ANOFOWCKDRSWJG-UHFFFAOYSA-N 425.495 4.089 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCc1ccccc1COCc1ccccc1 32441937 PDQCUBCWYOYCBC-UHFFFAOYSA-N 446.912 4.444 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 32591215 XPIHICJNBVZVDE-UHFFFAOYSA-N 446.506 4.131 5 20 IIBD C[C@H](Cc1cccs1)NC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 33206157 IOCLOIGGIXMIIC-OAHLLOKOSA-N 437.521 4.314 5 20 IIBD COc1ccc([C@H](CNC(=O)c2cc3ccccc3c3cccnc23)N2CCOCC2)cc1 107779041 KVNXDZUXYPPAPM-VWLOTQADSA-N 441.531 4.200 5 20 IIBD CCCCc1c(C)nc2nc(SCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)nn2c1C 108246877 AECKDHJNOPLCFH-UHFFFAOYSA-N 439.501 4.334 5 20 IIBD Cc1cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)nc2ccccc12 195628540 VLZKLOUFTOHLMH-UHFFFAOYSA-N 444.413 4.433 5 20 IIBD Cc1cc(NC(=O)CCc2cc(Br)cs2)n(-c2ccc([N+](=O)[O-])cc2)n1 303307581 NXJZMEFAMPQPDB-UHFFFAOYSA-N 435.303 4.484 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3ccc(O[C@@H]4CCOC4)cc3)cc2[N+](=O)[O-])CC1 303797892 LCWWZNOOFMCYRP-HXUWFJFHSA-N 425.485 4.251 5 20 IIBD CCCCc1oc2ccccc2c1CN(C)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 409944202 XYEKSFJCPFWQLP-UHFFFAOYSA-N 444.509 4.359 5 20 IIBD NC(=O)CCN(Cc1ccccc1)C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 426351822 NAVKVDODAQBISS-UHFFFAOYSA-N 435.505 4.264 5 20 IIBD O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 426927586 VPYHQMMSUDGCRX-SFHVURJKSA-N 447.495 4.189 5 20 IIBD COCc1cc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc(C(=O)O)c1 427691235 WSTWVAMIAHZWCF-UHFFFAOYSA-N 438.386 4.056 5 20 IIBD COC(=O)c1c(C2CC2)csc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 432755090 RMJDOFAWHYMGQK-UHFFFAOYSA-N 425.260 4.335 5 20 IIBD COCCOc1cccc(CC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)c1 435160817 MJWDXNGFTNTTPI-UHFFFAOYSA-N 427.482 4.233 5 20 IIBD Cc1csc(CCCCNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)n1 436372169 REUPAIYHJBMRHK-UHFFFAOYSA-N 427.476 4.477 5 20 IIBD CCc1noc(-c2ccc(CCNC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)cc2)n1 437160010 NVXPMAOVNJXENQ-UHFFFAOYSA-N 434.374 4.199 5 20 IIBD O=C(N[C@H](CO)Cc1ccccc1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 438561169 JEZQYJNGBLEVBC-SFHVURJKSA-N 426.856 4.374 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N2C[C@H](C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] 439229175 KFYMTHRGCATHES-GTNSWQLSSA-N 425.304 4.047 5 20 IIBD COc1ccc(C[C@H](C)CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1OC 444295009 ZMQNMQSYFDZEMN-INIZCTEOSA-N 430.504 4.307 5 20 IIBD CCN(CC)Cc1ccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1 445776999 WKOICSSFVWQLNF-UHFFFAOYSA-N 434.334 4.058 5 20 IIBD Cc1ccc(CNC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)c(OCC(F)(F)F)c1 446514186 JQJMNFIDOQWHFH-UHFFFAOYSA-N 435.358 4.028 5 20 IIBD O=C(Nc1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cn1)c1ccccc1 460274054 MPDJOFXINBYNFT-UHFFFAOYSA-N 445.479 4.097 5 20 IIBD Cc1c(CN[C@@H](c2cccc(S(C)(=O)=O)c2)c2cc(F)ccc2F)cccc1[N+](=O)[O-] 462176083 MMFMBWKSFMQPTA-QFIPXVFZSA-N 446.475 4.464 5 20 IIBD Cn1ccnc1[C@@H](Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)c1ccccc1F 462438685 ULKDPQQMRNGMOE-NRFANRHFSA-N 433.443 4.643 5 20 IIBD CCOc1cc(NC(=O)N[C@@H]2CCOc3c(F)ccc(F)c32)c([N+](=O)[O-])cc1OCC 463564258 QDHOHHZYTHYRJZ-CYBMUJFWSA-N 437.399 4.316 5 20 IIBD COc1c(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)sc(C)c1Br 464008096 UCTIBLDFQRIVCT-UHFFFAOYSA-N 427.320 4.489 5 20 IIBD CN(C)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)c(C(F)(F)F)c1 464415193 UASPYGILYONTBP-UHFFFAOYSA-N 440.403 4.029 5 20 IIBD CSc1ccc(C(=O)NC[C@@H](C)Oc2cccc(Br)c2)cc1[N+](=O)[O-] 464676874 IWMXBZFNXHUFIT-LLVKDONJSA-N 425.304 4.277 5 20 IIBD O=C(NCCCO[C@H]1CCOC1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 466528492 LGUUQJQAJJVELK-HNNXBMFYSA-N 436.917 4.325 5 20 IIBD COCc1c(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cnn1-c1ccccc1 466861948 HNQNJALZJSAMTM-UHFFFAOYSA-N 449.492 4.327 5 20 IIBD CN(C)c1ncc(CNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])n1C 467719657 DISFAWHVINHUBY-UHFFFAOYSA-N 445.932 4.129 5 20 IIBD Cc1cccc(-n2ncc(C(=O)Nc3ccc4cc([N+](=O)[O-])ccc4n3)c2C(F)(F)F)c1 469215180 QUCZNYOEAVUFJS-UHFFFAOYSA-N 441.369 4.908 5 20 IIBD C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 469535870 RCMKCWYCALZIAV-KBPBESRZSA-N 443.887 4.166 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@@H](OC1CCOCC1)c1ccccc1 471060496 XMXDBPISGCOUGT-OPAMFIHVSA-N 428.485 4.049 5 20 IIBD O=C(NCC(F)(F)F)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 472031547 HFKIIUYWMSMEHM-UHFFFAOYSA-N 435.280 4.158 5 20 IIBD CC(=O)c1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])cc2I)c1 475299337 GYZXDESRVXYLDE-UHFFFAOYSA-N 444.612 4.308 5 20 IIBD Cc1cc(S(=O)(=O)Nc2cc(Cl)ccc2-c2nc(C3CC3)no2)ccc1[N+](=O)[O-] 476431877 JYWREOAFVUDHET-UHFFFAOYSA-N 434.861 4.285 5 20 IIBD COc1ccccc1OCC(=O)Nc1cccc(NCc2ccc([N+](=O)[O-])cc2F)c1 479909429 BDGGXYGUHMCXJE-UHFFFAOYSA-N 425.416 4.372 5 20 IIBD O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCC(CO)(c2ccccc2)CC1 480039882 CVDNJQHTGGPGLF-UHFFFAOYSA-N 446.503 4.340 5 20 IIBD Cc1ccccc1-n1nc(C)c(CN(C)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1C 480806680 NREUNUXIKULBSR-UHFFFAOYSA-N 444.495 4.164 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCC(=O)N(C)C)cc1 481680911 BBROVWFSXABCEY-UHFFFAOYSA-N 431.514 4.062 5 20 IIBD CCOc1cc(N2CCN(Cc3coc(-c4cccc(F)c4)n3)CC2)ccc1[N+](=O)[O-] 482902862 RJYMOXOQLKLTGC-UHFFFAOYSA-N 426.448 4.110 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C[C@@]2(CCCOC2)O1 482954935 DZOBTWFMBFOARE-KSFYIVLOSA-N 428.510 4.156 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCO[C@H](COCC2CC2)C1 485554112 ZHHURDOOIZGJQH-SFHVURJKSA-N 428.510 4.014 5 20 IIBD O=C(c1ccc(OCC(F)(F)C(F)F)nc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 486132843 ITCBODBJAMYHJT-UHFFFAOYSA-N 427.354 4.074 5 20 IIBD O=C(CNc1ccc(Cl)cc1OCC(F)(F)F)N1CCc2cc([N+](=O)[O-])ccc21 487392492 GQQWRYMPHFOTQF-UHFFFAOYSA-N 429.782 4.191 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] 487985360 DKLRPJWRCFAHRG-QAPCUYQASA-N 429.904 4.286 5 20 IIBD Cc1ccc([C@H](C)NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1[N+](=O)[O-] 488014100 YDSNYHKCNYILKA-HNNXBMFYSA-N 429.432 4.195 5 20 IIBD COCCN(C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)[C@@H]1CCO[C@@H]1C 488852086 JPMDYORELADHNB-FOIQADDNSA-N 447.919 4.126 5 20 IIBD Cc1nn(-c2ccc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)cc2)c(C)c1Cl 490404116 ZIJFVACPXAYSPW-UHFFFAOYSA-N 437.847 4.088 5 20 IIBD O=C(CN[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)Nc1ccc([N+](=O)[O-])cc1Cl 494498647 WSEUSYIHUFKKMS-AEFFLSMTSA-N 428.247 4.099 5 20 IIBD COCCN(Cc1ccc(Br)s1)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] 494839007 VJHAJSXSNGONGR-GFCCVEGCSA-N 442.335 4.338 5 20 IIBD CCCCNC(=O)[C@H]1CCCN(c2c([N+](=O)[O-])cnc3ccc(Br)cc23)C1 496125978 CIFUYVDWVFRBJV-ZDUSSCGKSA-N 435.322 4.038 5 20 IIBD Cn1ncc([N+](=O)[O-])c1C(=O)N(Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1 500906909 QZGKZUMRRWYQGU-UHFFFAOYSA-N 434.374 4.412 5 20 IIBD Cc1ccccc1COc1cccc(NC(=O)C(=O)N(C)CCc2ccccc2[N+](=O)[O-])c1 506704108 MZYVRCJVLIYBRW-UHFFFAOYSA-N 447.491 4.122 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cn(C)nc3C(F)(F)F)cc2[N+](=O)[O-])C1 508331104 HFPVCZIBLOULFV-TXEJJXNPSA-N 425.411 4.082 5 20 IIBD Cn1cnc(-c2ccc(Br)cc2)c1NC(=O)CCOc1ccccc1[N+](=O)[O-] 508345081 CRNKCYINFRXIEW-UHFFFAOYSA-N 445.273 4.165 5 20 IIBD Cc1ccc(C)c(OC2CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)CC2)c1 509123784 NLLDCZMXVWEJKO-UHFFFAOYSA-N 437.540 4.498 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Sc2ncccn2)cc1C 509553762 FEWKISQUVJYPKJ-UHFFFAOYSA-N 430.511 4.208 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1cc2ccc(Br)cn2n1 511283287 FUJQSICODBOKOK-UHFFFAOYSA-N 441.694 4.389 5 20 IIBD COc1ccc(CN(CC2CCC2)C(=O)NCc2cccc([N+](=O)[O-])c2C)c(OC)c1 511906910 XDBNROIMLQDBMQ-UHFFFAOYSA-N 427.501 4.432 5 20 IIBD O=C(Nc1ccc(Br)c2cccnc12)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 511934590 LGVRHDZWVPNEIB-UHFFFAOYSA-N 438.241 4.344 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)c1sc(-c2ccccc2)nc1C 514636501 CUCISSXDZAAESY-ZDUSSCGKSA-N 438.509 4.405 5 20 IIBD COc1cc(C(=O)NCCOc2ccccc2C(C)(C)C)c([N+](=O)[O-])cc1OC(F)F 518185046 OTQQNXSHGRVNMT-UHFFFAOYSA-N 438.427 4.311 5 20 IIBD CCc1c(-c2ccc(Br)cc2)n[nH]c1NC(=O)COc1ccc([N+](=O)[O-])cc1 518958508 RGGZBPJCTDWWBW-UHFFFAOYSA-N 445.273 4.327 5 20 IIBD Cc1cc(N2CCC(n3cc(Br)cn3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 521884531 ZATBUZQWBPTBLI-UHFFFAOYSA-N 443.305 4.161 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCc2oc3ccc(F)cc3c2C)ccc1[N+](=O)[O-] 522793195 WMIDFICECSHPEZ-LJQANCHMSA-N 439.443 4.018 5 20 IIBD O=C(Nc1ccnc(Oc2ccccc2Cl)c1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 524023186 RHFSLTCBYCWIQM-UHFFFAOYSA-N 436.815 4.269 5 20 IIBD Cc1nc(-c2ccc(CCNC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)s2)cs1 534070470 WGCCXEWSTXEBOO-UHFFFAOYSA-N 426.523 4.471 5 20 IIBD CCOC(=O)CC1(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCCCC1 534706405 QPJCZBMMXHSHGS-UHFFFAOYSA-N 434.536 4.175 5 20 IIBD O=C1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c2cc(Br)ccc2N1 535207497 QQYVVIFHBQFKSO-UHFFFAOYSA-N 432.255 4.171 5 20 IIBD O=C(CC1CCCCC1)Nc1cccc2c1N(CCn1cc([N+](=O)[O-])ccc1=O)CCC2 535626993 SXWAJGAXKJQYLX-UHFFFAOYSA-N 438.528 4.118 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 537169899 KQDLENLVUSCJMV-QZTJIDSGSA-N 449.617 4.447 5 20 IIBD CC(=O)Nc1ccc(S(=O)(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c2ccccc12 537574275 YPYLDPAZBAZZQD-UHFFFAOYSA-N 441.509 4.008 5 20 IIBD O=C(Nc1ccc(COCc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1N1CCOCC1 538462959 XTRLITODCCHMNT-UHFFFAOYSA-N 447.491 4.401 5 20 IIBD O=C(NCC1CCN(Cc2cccs2)CC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 539448237 SSMRRJYYJXQAHG-UHFFFAOYSA-N 436.537 4.360 5 20 IIBD O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccc([N+](=O)[O-])c1N1CCOCC1 539550330 JJGONNFKBJBAAC-UHFFFAOYSA-N 429.782 4.356 5 20 IIBD Cc1ccc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)n2)s1 539552653 RKCHIKYOCDHREO-UHFFFAOYSA-N 430.511 4.177 5 20 IIBD NS(=O)(=O)c1cc(N[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc([N+](=O)[O-])c1 539610817 CSHJUERKOSADSC-SJORKVTESA-N 429.420 4.009 5 20 IIBD CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 539896804 PXRARUHERCVBLF-SFHVURJKSA-N 432.885 4.469 5 20 IIBD C[C@]1(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCO[C@H]1C1CC1 541406038 LUPZKZNMHCAYKT-DQEYMECFSA-N 446.507 4.064 5 20 IIBD CCOC(=O)c1cc(-c2nc(-c3cccc(NC(=O)c4ccco4)c3)no2)cc([N+](=O)[O-])c1 547023445 ASHPHZUWSPBVEF-UHFFFAOYSA-N 448.391 4.334 5 20 IIBD CC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 547428696 CKVSZSSVHLSKKA-AOMKIAJQSA-N 432.480 4.093 5 20 IIBD Cc1cc(N2CCC(C(=O)NCCCOC(C)C)CC2)c([N+](=O)[O-])cc1C(F)(F)F 549110568 JOOHOSKCXFQBOM-UHFFFAOYSA-N 431.455 4.070 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 553807665 ULUCUDHSSQWQIA-UHFFFAOYSA-N 447.417 4.183 5 20 IIBD O=C([C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N(Cc1ccc(Cl)cc1)C1CC1 554210672 MWUYPYQDAYZATF-INIZCTEOSA-N 433.917 4.106 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 554391569 SLRKNQRUUCZYQA-UHFFFAOYSA-N 431.514 4.018 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H]2CC[C@H](c3ccccc3)C[C@H]2OC)cc1[N+](=O)[O-] 557166668 SSNXZFUSYNKGRA-NNMXDRDESA-N 444.553 4.304 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1C[C@@H](O)C[C@H]1c1cccc(F)c1 557726606 QRKLZLPXVHRHOE-YOEHRIQHSA-N 432.249 4.357 5 20 IIBD O=C(CN1CCC[C@@H]1c1ccc(Br)cc1)N1CCc2cc([N+](=O)[O-])ccc21 559365755 YVXDGVOHNJRNPJ-GOSISDBHSA-N 430.302 4.084 5 20 IIBD O=C(Nc1cc(F)c(N2CCOCC2)cc1F)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 560802135 MTMVGUJLDTYEGB-UHFFFAOYSA-N 446.435 4.085 5 20 IIBD O=C(Nc1nnc(C2CCOCC2)s1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 563988216 RZPQYGCWBYKROX-UHFFFAOYSA-N 440.481 4.172 5 20 IIBD CC(C)c1nc(C2CCN(C(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])CC2)no1 566754115 RZMRYZVWENMWSK-UHFFFAOYSA-N 442.394 4.062 5 20 IIBD C[C@H](C(=O)Nc1cc(F)c(Cl)cc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1F 566763704 RQNFFDRWEGGJRG-NSHDSACASA-N 425.819 4.105 5 20 IIBD O=[N+]([O-])c1cccc(Cc2nc(C3(c4ccc(Br)cc4)CCOCC3)no2)c1 567650045 PHLWQDUUOYVOGX-UHFFFAOYSA-N 444.285 4.428 5 20 IIBD CCNC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c1C 574298249 AZDWXNSNGPGTBH-UHFFFAOYSA-N 435.278 4.368 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1-c1nc(Cc2ccccc2F)no1 578913783 CBVPOWONSGYGMK-UHFFFAOYSA-N 439.184 4.288 5 20 IIBD C[C@@]1(C2CC2)NC(=O)N(c2cccc(CNc3ccc([N+](=O)[O-])cc3OC(F)F)c2)C1=O 588046275 SSNCYODVBAFXAG-NRFANRHFSA-N 446.410 4.033 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CN(Cc2ccccc2)Cc2cc[nH]n2)c1 589253944 NICJRQZKFKGMBM-UHFFFAOYSA-N 448.264 4.125 5 20 IIBD O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)c1 590171464 WNHYWXLFOJJWAP-QGZVFWFLSA-N 443.447 4.020 5 20 IIBD CC(=O)N[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1ccc(C)cc1 590646585 RFATWCIBSCYLSP-QHCPKHFHSA-N 445.475 4.340 5 20 IIBD O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 603659867 PUGNLOYJOGBTCZ-OAQYLSRUSA-N 439.903 4.001 5 20 IIBD Cc1ncc2c(n1)CCN([C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C2 603661950 UOUMAWREQHCARF-OAQYLSRUSA-N 437.887 4.085 5 20 IIBD O=C(NCc1ccccc1COCc1ccccc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 603742723 KRCULAXICPCSHP-UHFFFAOYSA-N 442.475 4.427 5 20 IIBD COc1ccccc1OCC(=O)Nc1cccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])c1 603995081 RRHVSFXDJNDNRZ-UHFFFAOYSA-N 435.436 4.182 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCc4ccc(O)cc4CC3)cc2[N+](=O)[O-])n1 604286365 MLSJZWFNLKQFOW-UHFFFAOYSA-N 441.534 4.458 5 20 IIBD CCO[C@H]1CCCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 604431337 YMHFTCRXJRLTAE-HNNXBMFYSA-N 431.876 4.142 5 20 IIBD C[C@@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 609030070 CWPVGQNNKDKWJP-ZDUSSCGKSA-N 439.331 4.347 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 609198141 VVZKKFJTPGTQQR-LLVKDONJSA-N 439.465 4.344 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCCCc2ccc(C(C)C)cc2)ccc1[N+](=O)[O-] 609726383 IHOADULZBOXIMR-HSZRJFAPSA-N 437.540 4.380 5 20 IIBD CC(C)c1ccc(NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C(C)C)c1 609968229 PWDITIFLLFPOJQ-UHFFFAOYSA-N 433.530 4.101 5 20 IIBD O=C(Nc1ccc(I)cc1)c1ccc([N+](=O)[O-])cc1Br 610036159 BGKKDWKQBQWKSQ-UHFFFAOYSA-N 447.026 4.214 5 20 IIBD COC(=O)c1cc(NS(=O)(=O)c2ccc3oc4ccccc4c3c2)cc([N+](=O)[O-])c1 610336375 VSTMGWYTGFMBON-UHFFFAOYSA-N 426.406 4.082 5 20 IIBD CCOc1ccccc1C(=O)N[C@@H](C(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1)C(C)C 610556788 UCDLYXSGCBIEPM-PZJWPPBQSA-N 427.501 4.015 5 20 IIBD Cc1nc(-c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2)co1 610954049 KPBOYBDRELKZDG-UHFFFAOYSA-N 427.360 4.378 5 20 IIBD COc1cc(C(=O)NC2CCC(OC(C)C)CC2)c([N+](=O)[O-])cc1OCc1cscn1 611052081 DSCYTMYNMQSJDV-UHFFFAOYSA-N 449.529 4.105 5 20 IIBD O=C(COc1c([N+](=O)[O-])cnc2ccc(Br)cc12)NCCCc1ccccc1 612660690 NQSRLQQGIWDNJC-UHFFFAOYSA-N 444.285 4.033 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(Cc2nc3cc(Cl)ccc3s2)no1 612884639 UJUITFJYCWHTQC-JTQLQIEISA-N 443.872 4.323 5 20 IIBD CC(C)[C@@H](CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccnn1C 615954323 LKGNHCUKXPQGGE-FUHWJXTLSA-N 436.516 4.066 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H](Cn2cnc3ccccc32)C1 619544702 WGHGSVSQHDLUIL-INIZCTEOSA-N 442.903 4.306 5 20 IIBD COc1ccc2[nH]cc(C3=CCN(S(=O)(=O)c4cc(Cl)ccc4[N+](=O)[O-])CC3)c2c1 725823156 RZUXYDSVQNFQQX-UHFFFAOYSA-N 447.900 4.216 5 20 IIBD COc1cc(-n2cccc2)c(Cl)cc1C(=O)OCC(=O)Nc1c(C)cccc1[N+](=O)[O-] 725944969 HVSPTRMQYNBNSD-UHFFFAOYSA-N 443.843 4.151 5 20 IIBD O=C(CCc1ccc(OC(F)(F)F)cc1)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 727538295 MCRAVZHQPCQRDF-UHFFFAOYSA-N 437.330 4.219 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCc2cc(=O)oc3cc(C)c(C)cc23)cc1SC 728650452 ZADKZMKDUARPBO-UHFFFAOYSA-N 429.450 4.406 5 20 IIBD CN(C[C@@H](O)COc1ccccc1C(F)(F)F)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 729545270 DPGFMMAPCCRXAS-GFCCVEGCSA-N 447.797 4.171 5 20 IIBD C[C@@H](OC(=O)c1cccc(Br)c1O)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 730365279 OCFHTTUFHAMJGC-SECBINFHSA-N 434.202 4.031 5 20 IIBD O=C(CSCc1ccc(Cl)cc1)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730703693 LUNNBMASMRAYPM-KRWDZBQOSA-N 448.928 4.329 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCC(c2nc(-c3ccccc3)cs2)CC1 732093704 KBVBSSLGIIXAHD-UHFFFAOYSA-N 447.520 4.474 5 20 IIBD O=C(Nc1ccc(O)c(Cl)c1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 732309705 SHBNUZRKQIWOOS-UHFFFAOYSA-N 447.856 4.007 5 20 IIBD CC(C)(C)OC(=O)Nc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 732524986 VRPUBBNWTBAJIH-UHFFFAOYSA-N 427.866 4.396 5 20 IIBD CC[C@H]1CCCN(C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 735254986 YTOBOCTVYDMUBJ-INIZCTEOSA-N 432.498 4.015 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OS(=O)(=O)c1cc(Br)cnc1Cl 735676281 VAJBWHSINKKNGM-UHFFFAOYSA-N 442.074 4.135 5 20 IIBD O=C(COC(=O)c1cccc(Oc2nccs2)c1)Nc1cc(Cl)ccc1[N+](=O)[O-] 736928686 ULEOQLGKZYQJIL-UHFFFAOYSA-N 433.829 4.293 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)OCc2ccc([N+](=O)[O-])cc2Br)c1 739579514 GYKKRIUAMLIAEU-UHFFFAOYSA-N 427.232 4.344 5 20 IIBD C[C@H](OC(=O)Cc1c[nH]c2ccc(Cl)cc12)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 740299262 HLIMSUFKYIGSFC-JTQLQIEISA-N 436.251 4.496 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(C(=O)NCCNc2ccccc2[N+](=O)[O-])c(Cl)c1 740777360 YRFOSEZYGWJIPO-UHFFFAOYSA-N 434.880 4.437 5 20 IIBD CSc1ccc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 744554513 QMQVZTMSUFUUTD-HNNXBMFYSA-N 443.525 4.491 5 20 IIBD O=C(COC(=O)c1cc(Oc2ccccc2)ccn1)Nc1ccc(Cl)c([N+](=O)[O-])c1 745762842 RHCWKSWOEYMNSN-UHFFFAOYSA-N 427.800 4.231 5 20 IIBD O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1occc1CN1C(=O)Cc2ccccc21 746072872 SJGLJCBSQOZFDL-UHFFFAOYSA-N 426.812 4.288 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1F)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 746914896 YIDVJWPDBKYKDA-UHFFFAOYSA-N 427.354 4.108 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1I)c1ncc(C(C)(C)C)o1 747689166 RUSXOYHLKSYDIX-VIFPVBQESA-N 444.225 4.403 5 20 IIBD COc1ccc(-c2nc(COC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)no2)cc1 747955869 DMOHXTJYIWSJLF-UHFFFAOYSA-N 438.421 4.134 5 20 IIBD CC(C)n1c([C@@H]2CCCN2C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])nc2ccccc21 748556800 WEDUDUOFZUIDFQ-IBGZPJMESA-N 436.468 4.080 5 20 IIBD Cc1c(C(=O)Nc2cccc(COCCOC(C)C)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748638328 HMUIHJBNNDVCAK-UHFFFAOYSA-N 431.445 4.314 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 750218038 OPNNPZVTLVLKCJ-AWEZNQCLSA-N 425.285 4.355 5 20 IIBD Cc1ccc([C@@H]2COCCN2C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)o1 750879486 GAUQUZDHHDBDPJ-ZDUSSCGKSA-N 429.654 4.126 5 20 IIBD O=C(CSCc1ccc(Br)cc1)OCc1nc2cc([N+](=O)[O-])ccc2o1 751637601 YSXJOWFKTSPUOQ-UHFFFAOYSA-N 437.271 4.475 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC(CCCN2CCCC2)CC1 752312959 IZGKYBKYDAHPNS-UHFFFAOYSA-N 442.329 4.225 5 20 IIBD Cc1cc(F)cc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)c1[N+](=O)[O-] 752557297 NQPCYENMFOXIKA-LBPRGKRZSA-N 429.429 4.350 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754994542 SCKWZZIEQKOQCZ-UHFFFAOYSA-N 440.225 4.455 5 20 IIBD Cc1ccc(NC(=O)Nc2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1[N+](=O)[O-] 755337619 RSFALODIGXONOR-UHFFFAOYSA-N 444.492 4.316 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(CNS(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)c1 757349589 VJNJMWQGWRTATJ-UHFFFAOYSA-N 444.843 4.256 5 20 IIBD COc1cc(C2SCCS2)ccc1OS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C 758426255 HQXTXRCLEDEFRB-UHFFFAOYSA-N 441.552 4.467 5 20 IIBD CCCc1c(C(=O)OCC(=O)Nc2c(C)cccc2[N+](=O)[O-])cnn1-c1ccccc1C 758886384 CDUNECLMSGDDIQ-UHFFFAOYSA-N 436.468 4.145 5 20 IIBD C[C@](O)(C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(C(F)(F)F)c1 760522584 PVHKIZIKBUCTNO-LJQANCHMSA-N 436.342 4.220 5 20 IIBD C[C@@H]1CCN(CCOc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3Br)cc2)C1 760840549 ZOKYIKLSMXGEHR-CQSZACIVSA-N 448.317 4.330 5 20 IIBD CCOc1ccc(Br)cc1-c1noc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 761764345 HIKMFUCVGABZBX-UHFFFAOYSA-N 435.190 4.381 5 20 IIBD C[C@H](Nc1ccc(C(=O)OCCc2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-])c1ccccn1 762707672 YZDLVZXZJFTLKO-HNNXBMFYSA-N 436.424 4.471 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN(C)CCN(C)c2ccccc2)c1=S 764986704 CBEIXRGYZNFCDD-UHFFFAOYSA-N 426.546 4.035 5 20 IIBD CC(C)C(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 766226961 REMXBEREGCWCGW-CQSZACIVSA-N 435.436 4.166 5 20 IIBD COc1ccc(-c2ncc(C(=O)OCc3ncc(C)c([N+](=O)[O-])c3C)s2)cc1OC 766951358 NGMSYJUOXXFOOZ-UHFFFAOYSA-N 429.454 4.104 5 20 IIBD CCn1c(SC[C@H]2CCN(C(=O)OC(C)(C)C)C2)nnc1-c1ccc([N+](=O)[O-])cc1 768412905 UZGUEWVRSSTLTD-AWEZNQCLSA-N 433.534 4.222 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)OCC(=O)N[C@@H](c1ccccc1)c1nccs1 769882346 NRKNXJYMMSHBRW-IBGZPJMESA-N 439.493 4.039 5 20 IIBD CCn1c(S)nnc1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1 775536374 AEJFDNQRTALKKJ-CYBMUJFWSA-N 435.575 4.015 5 20 IIBD O=C(Nc1ccc(Oc2ccc(F)cc2)cn1)c1cccc([N+](=O)[O-])c1N1CCOCC1 776318948 HDPHURGXVCRJKV-UHFFFAOYSA-N 438.415 4.010 5 20 IIBD Cc1cccc(F)c1NC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 776348832 BBRYHDPYPSHVAJ-UHFFFAOYSA-N 430.413 4.062 5 20 IIBD O=C(O[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccc(F)cc1[N+](=O)[O-] 776397908 RNLXVONQUDMDJZ-QGZVFWFLSA-N 440.349 4.101 5 20 IIBD CSc1cccc(C(=O)O[C@H](C)c2nc3cc(Br)cnc3[nH]2)c1[N+](=O)[O-] 777313215 VPPMVFFSDCOGDQ-MRVPVSSYSA-N 437.275 4.269 5 20 IIBD COc1ccc([C@@H]2[C@@H](COC(=O)c3cccc(SC)c3[N+](=O)[O-])CCC(=O)N2C)cc1 777320144 DTOXHYXVRVXSFJ-FOIQADDNSA-N 444.509 4.092 5 20 IIBD COCCOc1c(Cl)cc(NC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)cc1Cl 778419448 KOXFRJYDCOCJDX-UHFFFAOYSA-N 443.268 4.184 5 20 IIBD COc1ccc(CN[C@@H](C)c2ccc(CNC(=O)OC(C)(C)C)nc2C)cc1[N+](=O)[O-] 779034974 BDWVEJKLBPFKDA-AWEZNQCLSA-N 430.505 4.182 5 20 IIBD CC1=C(C(=O)Nc2cccnc2Cl)[C@@H](c2ccc([N+](=O)[O-])s2)NC(=O)N1CC1CC1 782247439 AEDGIEVCCAMLDX-MRXNPFEDSA-N 447.904 4.094 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])c(F)c1)C1CCN(C(=O)c2ccc(Cl)s2)CC1 783114180 ZAYKRTKJZXKSFD-UHFFFAOYSA-N 426.853 4.044 5 20 IIBD Cc1cc(F)ccc1-n1ccc(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1 783277566 WQKPIKAENSCNFZ-CYBMUJFWSA-N 437.387 4.196 5 20 IIBD O=C(OCc1nnc(-c2ccccc2Br)o1)c1ccc([N+](=O)[O-])c(Cl)c1 784435156 JEFCBVOQDHXBHK-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@H]2[C@@H](NC(=O)OC(C)(C)C)CCC[C@H]2C1 784562601 YUXMBTOODHUMJK-KSZLIROESA-N 431.533 4.285 5 20 IIBD O=C(Nc1cccc(-c2ccc3c(c2)CCO3)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 785145133 DUQDTAGRXVYSFL-UHFFFAOYSA-N 437.839 4.427 5 20 IIBD CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 786573511 AOZNSZXBPACZFF-UHFFFAOYSA-N 438.362 4.051 5 20 IIBD O=C(COc1cc([N+](=O)[O-])ccc1Br)Nc1ccc(N2CCCCC2)cc1 786746589 KNBFUCYZHGMRON-UHFFFAOYSA-N 434.290 4.365 5 20 IIBD COc1ccc(OC)c2c1CN(C(=O)c1ccc(Nc3ccccc3)c([N+](=O)[O-])c1)C[C@H]2O 787951277 RBKYRJDRKOKWCF-HXUWFJFHSA-N 449.463 4.045 5 20 IIBD Cc1cnc(COC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)c(C)c1[N+](=O)[O-] 789443575 PECDOMCIZIUQSQ-OAQYLSRUSA-N 432.432 4.418 5 20 IIBD O=C(CCCOc1cccc(F)c1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791169338 UJCPVCZSBJNZIM-UHFFFAOYSA-N 437.265 4.240 5 20 IIBD O=[N+]([O-])c1cc(F)c(S(=O)(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1Cl 798246585 BCXIGAJDMVTFQH-UHFFFAOYSA-N 437.232 4.003 5 20 IIBD CC(C)(C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1Br 798730455 SEROSZWCEWTBAX-UHFFFAOYSA-N 446.257 4.428 5 20 IIBD Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)OCc3c(F)cc([N+](=O)[O-])cc3F)C2)c1 803288863 GYCFMVHYYASTKQ-HNNXBMFYSA-N 432.423 4.085 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1c2ccccc2CCN1C(=O)OC(C)(C)C 804314546 RBBORLPCQSONEP-IBGZPJMESA-N 425.485 4.168 5 20 IIBD O=C(NC[C@H](CO)c1ccc(Cl)cc1)c1cc(Br)cc([N+](=O)[O-])c1Cl 807852072 INLSOEYWZWVRJG-SNVBAGLBSA-N 448.100 4.170 5 20 IIBD CC(C)(C)OC(=O)N1CCC(c2csc(NC(=O)c3ccccc3[N+](=O)[O-])n2)CC1 807886112 WPFOHHROWSXGEG-UHFFFAOYSA-N 432.502 4.418 5 20 IIBD O=C(Nc1ncc(C2(O)CCCCC2)s1)c1cccc([N+](=O)[O-])c1Br 809777664 DJSDPKHTMRYXKC-UHFFFAOYSA-N 426.292 4.218 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 809919727 DQUJVZPDOZHBCV-CHWSQXEVSA-N 426.901 4.405 5 20 IIBD Cc1ccccc1[C@H](NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C(C)C 810363877 GOTHXIPIBSVMSM-QGZVFWFLSA-N 434.290 4.118 5 20 IIBD CSc1nnc(CCCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])n1CC(C)C 813376403 KZLYRBHIYFNTSJ-UHFFFAOYSA-N 446.360 4.234 5 20 IIBD COc1cc(Br)ccc1OC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 813810420 PHEOZCUSIIHSCT-UHFFFAOYSA-N 449.026 4.487 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)c1ccc(C(F)(F)F)nc1Cl 815049785 HDQYLTOFLBUDPZ-QMMMGPOBSA-N 441.790 4.149 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H](O)Cc1cccc(C(F)(F)F)c1 815235777 FJWAEVLZBFKZFC-OAHLLOKOSA-N 437.292 4.279 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2cc(Cl)c(F)cc2Cl)c([N+](=O)[O-])c1 815505152 YJUUTOLBQRPDTG-UHFFFAOYSA-N 431.203 4.235 5 20 IIBD CCc1nc2ccccc2n1[C@H]1CCCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 819476015 QSWUMQNUZPVSLC-KRWDZBQOSA-N 444.495 4.170 5 20 IIBD CCN(CC)Cc1csc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)n1 833690032 HEYKOKKEMOZYDP-UHFFFAOYSA-N 431.562 4.382 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)CSc1ccccc1[N+](=O)[O-])c1cc2ccccc2o1 856203425 NCMMJTUUTNGWDE-UONOGXRCSA-N 428.466 4.242 5 20 IIBD O=C(Nc1ccc(OC[C@H](O)COCc2ccco2)cc1)c1cc([N+](=O)[O-])ccc1Cl 914795139 IDDPATMNMJVVOY-MRXNPFEDSA-N 446.843 4.050 5 20 IIBD COc1ccc(CSCC(=O)OCc2ccccc2Br)cc1[N+](=O)[O-] 914799467 CGTDWJRNLKDSCH-UHFFFAOYSA-N 426.288 4.343 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)c1cc(Cl)ccc1[N+](=O)[O-] 916440205 HFFLKFCYMNZKNS-UHFFFAOYSA-N 434.832 4.472 5 20 IIBD CN(C(=O)c1cc2cc(F)ccc2s1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 916991964 WCUPBLDYOPPXFX-UHFFFAOYSA-N 428.850 4.063 5 20 IIBD Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 917069182 LQFDCRAPGKFYRC-UHFFFAOYSA-N 430.867 4.391 5 20 IIBD COc1cc(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1OC1CCCC1 917309461 XXDYIDZNAKLAJI-UHFFFAOYSA-N 439.424 4.332 5 20 IIBD Cc1cccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c1NC(=O)c1ccccc1F 918280435 VATZUJMYDQCVCI-UHFFFAOYSA-N 436.443 4.137 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)[C@@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1 918539197 WVIBUKKFIDPRJK-GOSISDBHSA-N 440.496 4.206 5 20 IIBD COc1cc(C(=O)O[C@@H](C)CCc2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1OC(F)F 920165939 BVVCYGSGSJTRTF-NSHDSACASA-N 439.367 4.112 5 20 IIBD Cc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n(-c2ccc([N+](=O)[O-])cc2)n1 920814708 CWFJODPPTYJNMB-LBPRGKRZSA-N 445.819 4.057 5 20 IIBD Cc1ccc(-n2cnnc2SCc2nnc(COc3ccccc3[N+](=O)[O-])o2)cc1C 1117215190 UNVDBBGNFSECPR-UHFFFAOYSA-N 438.469 4.047 5 20 IIBD COC(=O)[C@H](OC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccccc1Cl 1254422414 IOKGYTYGWKROAE-CQSZACIVSA-N 428.622 4.082 5 20 IIBD O=C(c1c[nH]cc1-c1ccc(Cl)s1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1318093992 BDZVFSBUHFTGRR-UHFFFAOYSA-N 430.917 4.263 5 20 IIBD COc1ccc(-c2nc(-c3nnc(COc4ccccc4[N+](=O)[O-])o3)cs2)cc1OC 1323962022 GNGMANXIYXTKPS-UHFFFAOYSA-N 440.437 4.365 5 20 IIBD O=C(/C=C\c1nccs1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 1519082482 BIBZTNBEQGOZON-FPLPWBNLSA-N 440.550 4.137 5 20 IIBD O=C(Cc1cc([N+](=O)[O-])ccc1F)NC1(c2ccc(NC(=O)C3CCC3)cc2)CCC1 1787605451 CEZXRODUKKSZJW-UHFFFAOYSA-N 425.460 4.211 5 20 IIBD COc1cc(C(=O)NC2(c3ccc(NC(=O)CC(C)C)cc3)CCC2)c([N+](=O)[O-])cc1O 1787662352 HWMICEHBYPLAMA-UHFFFAOYSA-N 441.484 4.103 5 20 IIBD CCCCC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)n[nH]1 1820366911 KOVLCLSOXGJPIF-YOEHRIQHSA-N 430.509 4.168 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1)c1ccc(C2CC2)cc1 1821302451 VAUBOMRPEAGGOZ-GOSISDBHSA-N 449.467 4.408 5 20 IIBD CC/C=C(\C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830622070 BWIJBDZJKUICRY-QDGSLSSCSA-N 431.508 4.324 5 20 IIBD CCCCC[C@H](C)C(=O)N1CCCC12CN(C(=O)CSc1ccccc1[N+](=O)[O-])C2 1846023830 TUGRHHJAWPHIMT-KRWDZBQOSA-N 433.574 4.107 5 20 IIBD Cc1nn(-c2ccc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])cc2)c(C)c1Cl 9248770 SDAJYPWIZZWZQZ-AWEZNQCLSA-N 442.859 4.235 5 20 IIBD CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(SC)c([N+](=O)[O-])c1 15000712 YZUIXXNPTDDVSC-UHFFFAOYSA-N 441.431 4.436 5 20 IIBD Cc1cc(CSc2ccccc2C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)on1 16542345 BOQGLXIWRJSRLZ-UHFFFAOYSA-N 445.428 4.118 5 20 IIBD CCc1cc2c(=O)n(CCc3ccccc3)c(Sc3c([N+](=O)[O-])ncn3C)nc2s1 29165582 XWAYQUJONHXODW-UHFFFAOYSA-N 441.538 4.056 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)NCc3cccc(NC(N)=O)c3)cc2[N+](=O)[O-])cc1 58569206 HTRIMZDKORTXPA-UHFFFAOYSA-N 436.493 4.475 5 20 IIBD CCc1cc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 64914752 DMSKIABKUBVTIY-UHFFFAOYSA-N 446.511 4.173 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H](c1c(F)cccc1Cl)N1CCCC1 117514642 NHKUUDWCSUFDKE-GOSISDBHSA-N 435.883 4.110 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)CCNc1ncc(Br)cc1[N+](=O)[O-] 301692445 OHXLKASGWJUEQZ-UHFFFAOYSA-N 443.685 4.163 5 20 IIBD Cc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2nc[nH]n2)ccc1-c1ccccc1 426835729 RUFRMCYWUCTVMO-UHFFFAOYSA-N 432.465 4.487 5 20 IIBD CCN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C[C@H](O)C(F)(F)F 428410154 AGRSBXNKPJAWPC-HNNXBMFYSA-N 437.212 4.362 5 20 IIBD Cc1cc(C)c(-c2csc(NC(=O)Cn3cc(Cl)cc([N+](=O)[O-])c3=O)n2)c(C)c1 432246936 OOAICFAHQBPACM-UHFFFAOYSA-N 432.889 4.097 5 20 IIBD COc1cc(OCC(=O)Nc2cc(Br)ccc2OC(C)C)ccc1[N+](=O)[O-] 434330354 LTUGRCSLICCCLX-UHFFFAOYSA-N 439.262 4.171 5 20 IIBD C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1nc(-c2cccc(F)c2)no1 437146819 ZSCGFTCUDCNARC-HNNXBMFYSA-N 442.450 4.221 5 20 IIBD O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)Nc1cccc([N+](=O)[O-])c1 437717374 NWLMIIVFFRAEQS-UHFFFAOYSA-N 430.262 4.441 5 20 IIBD Cc1cccc(C(NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])c2cccc(C)c2)c1 437960769 ZVNLPQSTIWYEJB-UHFFFAOYSA-N 449.532 4.308 5 20 IIBD O=C(Nc1cccc(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1)c1ccncc1 438017435 KHOSPMLHXALXMU-UHFFFAOYSA-N 445.479 4.116 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)NCC2CC2)ccc1C 439371901 MZZNYSANDNTNJV-UHFFFAOYSA-N 443.525 4.034 5 20 IIBD O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3nnc(-c4c(Cl)cccc4Cl)o3)C2)nc1 440497595 VSAVBPFTTRRDJV-NSHDSACASA-N 435.271 4.033 5 20 IIBD COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 442123386 JZWJFCCSMLXEHU-QHCPKHFHSA-N 447.491 4.259 5 20 IIBD CN(C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[C@@H]1CCN(c2ccccc2Cl)C1=O 444005088 PFJDJHRYZHIVPF-JOCHJYFZSA-N 445.906 4.212 5 20 IIBD CC1(C)CN(C2(CNC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CCCCC2)CCO1 444008166 DWPMKYOCELMANQ-UHFFFAOYSA-N 447.579 4.225 5 20 IIBD C[C@@H](NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1cn(-c2ccccc2)nn1 444230207 YNZKPJMERTXCRN-CYBMUJFWSA-N 445.429 4.031 5 20 IIBD Cc1nc(COc2ccccc2/C=C\c2nc(-c3c([N+](=O)[O-])nc(C)n3C)no2)cs1 445608880 FTKDACRZTNJYNM-HJWRWDBZSA-N 438.469 4.201 5 20 IIBD Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1sc(Br)cc1[N+](=O)[O-] 446078515 HQFLZCPHLJSSNV-UHFFFAOYSA-N 438.303 4.216 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1 446132550 SHANXFXGCWYYIR-UHFFFAOYSA-N 429.476 4.298 5 20 IIBD Cc1ccnc(Oc2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Br)cc2)n1 446203088 UZYDUQAXKGKXLR-UHFFFAOYSA-N 443.257 4.429 5 20 IIBD C[C@H]1CN(c2cccc3cnccc23)CCN1[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 447400884 SURMXPFFWYMMRF-DLBZAZTESA-N 444.495 4.465 5 20 IIBD O=C(Nc1ccc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1)c1ccc(F)cc1 447546039 ZRUTZDIYQZJMKG-SFTDATJTSA-N 437.475 4.456 5 20 IIBD O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2cnn(-c3ccc(Br)cc3)c2)n1 447549167 DAIPKYNBKLZTLG-ROUUACIJSA-N 445.321 4.013 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC(Sc2ccc(Cl)cc2)CC1 448171454 WIEIFXZBBXWEOA-UHFFFAOYSA-N 448.928 4.345 5 20 IIBD O=C(Cc1noc(Cn2ccc3cc([N+](=O)[O-])ccc32)n1)Nc1cccc(C(F)(F)F)c1 460157059 XRQCNXKTVUOAEK-UHFFFAOYSA-N 445.357 4.181 5 20 IIBD Cc1c(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cnn1-c1cccc(C(F)(F)F)c1 461395170 BVTSNUBKHNGTBM-UHFFFAOYSA-N 446.385 4.143 5 20 IIBD CC(C)n1c([C@@H]2CCCN2C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)nc2ccccc21 467494029 IOEKGNBHIQPMRN-KKSFZXQISA-N 449.511 4.007 5 20 IIBD Cc1c(COc2ccccc2)cccc1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 471450026 NNTMJQUHADUOEY-UHFFFAOYSA-N 433.464 4.241 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)OC(C)C 471576032 ZAHFUSBEXVOUEP-GOSISDBHSA-N 437.290 4.262 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC(c2ccccc2C(F)(F)F)CC1 474863712 YPFLHVKUYKDXBT-AWEZNQCLSA-N 449.429 4.138 5 20 IIBD C[C@H](NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C(=O)N1Cc2ccccc2C1 475507228 DQDXAXRFTSCZPG-SFHVURJKSA-N 430.508 4.383 5 20 IIBD COc1cccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)N(C)C)c1 478980881 HJUXNZJOPDOBIC-FQEVSTJZSA-N 431.558 4.384 5 20 IIBD Cn1c(C(=O)Nc2cccc(CNC(=O)Nc3ccccc3Cl)c2)ccc1[N+](=O)[O-] 480035775 HQLRRIZJMYXVIH-UHFFFAOYSA-N 427.848 4.161 5 20 IIBD CN(Cc1ccc(Br)cc1Cl)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 481693886 KVKRPKIBFJWWMW-UHFFFAOYSA-N 427.638 4.012 5 20 IIBD CCc1c(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cnn1-c1ccc(Cl)cc1 482714354 OZTKJCYNBGTIMZ-UHFFFAOYSA-N 436.859 4.434 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Br)cc1F 484755526 LWEKGBVKZFYLRQ-UHFFFAOYSA-N 429.267 4.487 5 20 IIBD NC(=O)[C@H](Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)c1cccc(Br)c1 485392407 GNTFWYDNSTXGIR-GOSISDBHSA-N 445.248 4.197 5 20 IIBD COc1ccc(-n2ccnc2SCC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 488038421 ABVPQGZINLWKQI-HNNXBMFYSA-N 426.498 4.067 5 20 IIBD Cn1c(CCNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)nc2ccc(F)cc21 488079958 KVLPFPPDFIVRPB-UHFFFAOYSA-N 447.470 4.205 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N[C@H](COc2ccccc2F)C(C)(C)C)c([N+](=O)[O-])c1 489143262 XZFBCEZXMWGENR-VBKZILBWSA-N 433.480 4.153 5 20 IIBD COC(=O)c1cc(NC(=O)c2c(C)nc(C(C)(C)C)nc2SC)c(C)c([N+](=O)[O-])c1 489740274 FQZWIJNASVIFPF-UHFFFAOYSA-N 432.502 4.060 5 20 IIBD Cc1c(C(=O)N2CC[C@H](C(F)(F)F)c3ccccc32)nnn1-c1cccc([N+](=O)[O-])c1 492073103 YQIBTYIYOYWVLE-INIZCTEOSA-N 431.374 4.180 5 20 IIBD O=C(NCc1ccccc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 498539228 HCGVBMVOOYXFSV-UHFFFAOYSA-N 426.432 4.325 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3[C@@H](C)COC[C@H]3c3ccccc3)cc2)c(C)c1[N+](=O)[O-] 499347359 CDXISKHQVCREKR-AOMKIAJQSA-N 434.496 4.059 5 20 IIBD COc1cccc(OC)c1OC1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 501953640 LJNLLEXYMQBRQW-UHFFFAOYSA-N 432.498 4.018 5 20 IIBD CCC(CC)[C@H](NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)c1ccccc1 503368356 AIBIOCINBCQDOD-FQEVSTJZSA-N 444.557 4.301 5 20 IIBD COc1ccc(NC(=O)CCc2ccc(OCC(F)(F)F)c(OC)c2)c([N+](=O)[O-])c1 504368662 ULDWDTFEUVTLBS-UHFFFAOYSA-N 428.363 4.124 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCOC[C@@H]1c1nc2ccccc2s1 504848738 KPZDFHRXHWUQLE-MRXNPFEDSA-N 428.470 4.209 5 20 IIBD O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 505257005 GKOIXYDXFGARHW-UHFFFAOYSA-N 448.882 4.067 5 20 IIBD Cc1ccc([C@H](C)NC(=O)NCc2ccc(COC3CCOCC3)cc2)cc1[N+](=O)[O-] 506039379 XNMLOYQVLBTGKG-KRWDZBQOSA-N 427.501 4.159 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N[C@H]2CCC(C)(C)c3ccccc32)cc1[N+](=O)[O-] 509024555 XBLQXKCLXRHWHE-KRWDZBQOSA-N 437.525 4.417 5 20 IIBD COc1ccc(CSCC(=O)NCCc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] 509347929 HIGDACRLPZWOQA-UHFFFAOYSA-N 428.432 4.214 5 20 IIBD COc1ccc2[nH]cc(C3=CCN(CC(=O)Nc4ccc(Cl)cc4[N+](=O)[O-])CC3)c2c1 509552842 ACKOKIQSSNMATF-UHFFFAOYSA-N 440.887 4.466 5 20 IIBD Cc1c(Br)cc(C(=O)N(C)Cc2ccc(Br)o2)cc1[N+](=O)[O-] 509665231 QVFNDFHOEDCUKZ-UHFFFAOYSA-N 432.068 4.293 5 20 IIBD Cc1ccccc1[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1I 509738536 QNGRZUHVOMTLCV-QGZVFWFLSA-N 436.249 4.485 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C)cc1OCc1ccccc1 511129320 GZRCCOAGGDDKHW-UHFFFAOYSA-N 428.466 4.292 5 20 IIBD Cc1nn(C)c(C(=O)Nc2ccc(COc3ccc(Br)cc3)cc2)c1[N+](=O)[O-] 512291418 JDLDAHZAQJTYMT-UHFFFAOYSA-N 445.273 4.231 5 20 IIBD O=C(CCCNC(=O)c1ccc(F)cc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 512355247 UGRYZQJDVZYYOC-UHFFFAOYSA-N 428.445 4.006 5 20 IIBD COc1ccc(-c2nnc(SCCc3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCCO2)cc1 515288018 HGQMAUNCLODQGV-FQEVSTJZSA-N 440.525 4.376 5 20 IIBD COc1cc(C(=O)NC[C@H](C)Sc2ccc(Br)cc2)ccc1[N+](=O)[O-] 518818128 ZFZCDDXTAFUKRN-NSHDSACASA-N 425.304 4.277 5 20 IIBD O=C(Cc1csc(Cc2ccc(F)cc2)n1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 520487728 JEYIWWNZZCTGIP-UHFFFAOYSA-N 443.456 4.124 5 20 IIBD CCOc1ccc([C@H](NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)c2ccccc2)cc1 520561206 FSVNAHRWVHYNNE-XMMPIXPASA-N 436.464 4.287 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)Nc1ccccc1CN1CCc2ccccc21 521876583 LWWFXYCCNXFESE-UHFFFAOYSA-N 432.480 4.358 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC(=O)N(C)c4ccccc43)cc2[N+](=O)[O-])C1 523099735 HJNJEVUROVGWPK-CALCHBBNSA-N 436.512 4.090 5 20 IIBD Cc1ccc(NCCCNC(=O)c2cn(C)nc2-c2ccccc2Cl)c([N+](=O)[O-])c1 523512703 ODTRHMATJRWOGO-UHFFFAOYSA-N 427.892 4.189 5 20 IIBD CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 531273933 FVOCGHHEVFVDCN-CQSZACIVSA-N 433.892 4.034 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NCCc3nnc(-c4ccccc4)o3)cc2[N+](=O)[O-])C1 531814473 IFHRPQPHKTZJQU-CALCHBBNSA-N 449.511 4.100 5 20 IIBD O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])cc1Br 536942167 ZUGXQVMGBGMVFT-CVEARBPZSA-N 443.656 4.410 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)c1 537328076 YMFQOIJPIXCGAP-ZDUSSCGKSA-N 430.848 4.253 5 20 IIBD C[C@H](NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc(OCc2cccnc2)cc1 538125069 LMPWOCPQGLURQZ-KRWDZBQOSA-N 448.479 4.218 5 20 IIBD COc1cc(CN2CC[C@H](CN3CCCC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 538718762 MKGCMQBRDKNSSE-OAQYLSRUSA-N 425.529 4.100 5 20 IIBD CN(C)CCOc1cc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)ccn1 540809378 HEXRRXHVFAQBJL-UHFFFAOYSA-N 430.892 4.133 5 20 IIBD C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 542198148 RYRAGWUBQCJTPI-CYBMUJFWSA-N 431.905 4.141 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCCc1c[nH]c2ccc(Br)cc12 543357235 VEOOVYIWMCZKSK-UHFFFAOYSA-N 441.285 4.152 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCC(OC[C@@H]2CCOC2)CC1 544273278 PQVUDLILQWGPKS-QGZVFWFLSA-N 442.537 4.404 5 20 IIBD C[C@@H](C(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1ccc([N+](=O)[O-])cc1F 544444975 HLYZSKSKSVBSNC-CHWSQXEVSA-N 441.381 4.131 5 20 IIBD O=C(NCCC[C@H]1CCCCO1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 545452901 YMXPQXPHYUVZOI-QGZVFWFLSA-N 443.466 4.296 5 20 IIBD COc1cc(Cc2noc(CCOc3ccc(C)cc3Br)n2)ccc1[N+](=O)[O-] 545778012 VYRONTRMAIZSCT-UHFFFAOYSA-N 448.273 4.270 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1cn2cc(Br)cc(C)c2n1 546148300 MMGSDEAITUAKNZ-UHFFFAOYSA-N 432.278 4.252 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1nc(-c2cccnc2N2CCCC2)no1 546378301 GCUSWOQRYSKYIG-UHFFFAOYSA-N 448.405 4.313 5 20 IIBD O=C1CCCN1Cc1ccc(-c2noc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2)cc1 547147446 XUVNWTDEPREHRB-UHFFFAOYSA-N 432.358 4.453 5 20 IIBD CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 549380613 VXWFRWNAQDNJHB-UHFFFAOYSA-N 436.303 4.218 5 20 IIBD Cc1c(NC(=O)[C@@H](C)N[C@@H](c2cncc(Br)c2)C2CC2)cccc1[N+](=O)[O-] 551426394 XREFKVGIEOZNRK-KZULUSFZSA-N 433.306 4.129 5 20 IIBD O=C(Nc1cccc(-c2ccc(F)cc2Cl)n1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 553106593 LVQGDNSMENLFHB-UHFFFAOYSA-N 438.806 4.282 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCc2c(ncn2CCc2ccccc2)C1 553548433 CZBOBHFHSCPFMH-UHFFFAOYSA-N 432.505 4.447 5 20 IIBD CCOc1cccc([C@@H](C)NCc2cc(I)cc([N+](=O)[O-])c2)c1 554940316 CDPFOXIKIZPDGV-GFCCVEGCSA-N 426.254 4.449 5 20 IIBD COc1cc(C(=O)Nc2ccc3c(c2)N(CC(F)F)CCS3)cc([N+](=O)[O-])c1OC 560123611 KZGIFJAUKAMEKV-UHFFFAOYSA-N 439.440 4.042 5 20 IIBD Cn1cc(CN2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 561960978 AYZMHLNQCCFMCT-VWLOTQADSA-N 431.540 4.093 5 20 IIBD COc1ccc(CN(Cc2ccccc2Br)C2CCN(C)CC2)cc1[N+](=O)[O-] 564532993 MZAYFWPHAROURT-UHFFFAOYSA-N 448.361 4.462 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1cncc(Br)c1 589251272 ALUHWTXYRYJUSI-UHFFFAOYSA-N 426.226 4.236 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CN[C@@H]2CSCc3ccccc32)c1 589310671 ZHZDDRSEKMUQSS-MRXNPFEDSA-N 426.279 4.277 5 20 IIBD O=[N+]([O-])c1cccc(CS(=O)(=O)Cc2csc(COc3ccc(Cl)cc3)n2)c1 603956790 CQTMWLLXWVSZSP-UHFFFAOYSA-N 438.914 4.399 5 20 IIBD O=C(NCc1ccc(OCc2ccccn2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 603983459 VTTSHBSLUYEZDZ-UHFFFAOYSA-N 432.480 4.099 5 20 IIBD CCNC(=O)c1ccc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)c1 603995172 MZBRNZLCZINHAB-UHFFFAOYSA-N 438.406 4.112 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 604135478 OQDPEHLAPZBTFU-INIZCTEOSA-N 439.802 4.056 5 20 IIBD Cc1cccc(COc2ccc([C@@H](C)NC(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)c1 609053252 IRZFDWJZVNJDFM-QGZVFWFLSA-N 433.464 4.298 5 20 IIBD CCOC(=O)c1cnn(-c2cccc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])c2)c1C 609499596 HFASRLDYBPYBMW-UHFFFAOYSA-N 428.832 4.171 5 20 IIBD Cc1cccc(COc2cccc(NC(=O)[C@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)c2)c1 609533307 AYRQDMFGVYZSGD-KRWDZBQOSA-N 433.464 4.239 5 20 IIBD C[C@@H]1CN([C@@H](CNc2ncc([N+](=O)[O-])cc2Cl)c2c(F)cccc2Cl)CCO1 609891769 MBJYGQPZLQLHGC-BZNIZROVSA-N 429.279 4.310 5 20 IIBD C[C@H]1C[C@@H](N(C)C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 609978059 WDUOWJSEATZRPZ-AVRDEDQJSA-N 447.539 4.120 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)N1CCO[C@@H](C(F)(F)F)C1 610079295 OLFORQDLAVIAIN-IAGOWNOFSA-N 443.809 4.191 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 610210312 IQDMQLOCMQJXGC-WIYYLYMNSA-N 447.944 4.277 5 20 IIBD COc1ccc(NC(=O)CN2CCC[C@H]2c2ccccc2Br)c([N+](=O)[O-])c1 610676194 DVINLMNMUDXXLU-KRWDZBQOSA-N 434.290 4.142 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@H]2c2ccccc2Br)cc1 610679531 AHBORFXLHCZUQB-KRWDZBQOSA-N 425.304 4.024 5 20 IIBD O=C1NCc2ccc(NCc3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)cc21 610910606 SFFDCIOWVQMKKP-UHFFFAOYSA-N 425.448 4.303 5 20 IIBD O=C(Nc1ncc(Cc2cc(F)cc(F)c2)s1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 611199405 IGIGPZGYDMDZTO-UHFFFAOYSA-N 441.419 4.358 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1cc(Br)c(F)cc1Cl 611226503 AXBGQWJWHCNWMD-UHFFFAOYSA-N 437.674 4.134 5 20 IIBD COC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(C(F)(F)F)c1 611396596 AUCJWXIYBLDGGF-MRXNPFEDSA-N 431.798 4.183 5 20 IIBD COC(=O)c1csc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C 611450054 PXCJMVXHMVHQDY-UHFFFAOYSA-N 431.392 4.211 5 20 IIBD O=C(CC1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1)NC1CCCC1 612037577 GUIKEFGUUWMUMZ-UHFFFAOYSA-N 439.965 4.028 5 20 IIBD O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCO[C@@H](c2ccccc2Br)C1 725727612 COKHSQKQGDMJIE-MRXNPFEDSA-N 425.666 4.224 5 20 IIBD Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cs1 725935271 MIAYETORUKOEFX-UHFFFAOYSA-N 447.419 4.176 5 20 IIBD C[C@H](Cc1cccc(F)c1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727330147 MVINUOMFVRFKEK-CQSZACIVSA-N 439.409 4.280 5 20 IIBD CCOC(=O)N1CCC(Nc2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])CC1 727431177 LOABJPMIDYLXCF-UHFFFAOYSA-N 426.473 4.188 5 20 IIBD Cc1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cc1F 727586405 NWDNVGDKIFBTPT-UHFFFAOYSA-N 426.370 4.415 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N(Cc1ccc2c(c1)OCO2)C1CCCCC1 728241320 DTRODLORWAASRA-UHFFFAOYSA-N 427.413 4.207 5 20 IIBD CC(C)(NC(=O)c1cc([N+](=O)[O-])ccc1I)c1ccc(F)cc1 728500117 QGAZSCNRVZNDCQ-UHFFFAOYSA-N 428.201 4.004 5 20 IIBD CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 729546560 SXZBOCGATZKQBP-CYBMUJFWSA-N 447.797 4.171 5 20 IIBD C[C@H](OC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 729779920 HJPPKNLQNDEUES-LBPRGKRZSA-N 429.816 4.016 5 20 IIBD O=C(OCc1csc(-c2cccs2)n1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 733557595 FFMQWQPQJGSNBJ-GFCCVEGCSA-N 449.535 4.189 5 20 IIBD O=C(NCCOC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1cccnc1 735907572 DMEHKLXDMSALIS-UHFFFAOYSA-N 441.827 4.022 5 20 IIBD C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 736118503 TULKNUGFMDVRAM-CEQIKUNHSA-N 444.509 4.156 5 20 IIBD O=C1/C(=C\NCCCCc2ccc([N+](=O)[O-])cc2)c2ccccc2C(=O)N1c1ccccn1 739667827 VNANTRSHPRTVRF-XLNRJJMWSA-N 442.475 4.130 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(n3cc(Br)cn3)CC2)c(Br)c1 742406774 PNSWGZYFEUDKLG-UHFFFAOYSA-N 430.100 4.158 5 20 IIBD CS(=O)(=O)c1ccc(Cl)c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 743789775 VCLBILAUOKNBLG-UHFFFAOYSA-N 444.896 4.499 5 20 IIBD CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 745982340 UJLCTGBLGNGECZ-UHFFFAOYSA-N 435.274 4.494 5 20 IIBD CC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 747958354 ZJGYJHAIZMXPMD-LBPRGKRZSA-N 439.449 4.105 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 748198167 JZLGESHVKDUFIU-UHFFFAOYSA-N 430.464 4.116 5 20 IIBD C[C@@H](OC(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 748901144 JUNXKYWGXWWKQK-GFCCVEGCSA-N 446.423 4.225 5 20 IIBD C[C@@H](OC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1nc2ccc(Cl)cc2n1C 750222872 SBEVAHMXDNIWKJ-GFCCVEGCSA-N 425.832 4.239 5 20 IIBD C/C(=C\C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc([N+](=O)[O-])cc1 752342557 CVQQPOZPFZEJRI-ZKQHCESOSA-N 433.804 4.130 5 20 IIBD O=C(COC(=O)c1c(F)ccc([N+](=O)[O-])c1F)NCC1(c2ccccc2)CCCCC1 752560135 UGUGXCLOTJZFPI-UHFFFAOYSA-N 432.423 4.048 5 20 IIBD COC(=O)COc1ccc(CN[C@@H]2CCOc3c2ccc(Cl)c3Cl)cc1[N+](=O)[O-] 752975832 CBHONNUFWAWWJD-CQSZACIVSA-N 441.267 4.067 5 20 IIBD O=C(Nc1ccc(OCC(F)(F)F)nc1)c1cc(F)cc([N+](=O)[O-])c1Br 754636918 SCVHSPQGQAEEFP-UHFFFAOYSA-N 438.131 4.085 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCO[C@]2(CCc3ccccc32)C1 755029483 FQCXSQMOWSZDKE-LJQANCHMSA-N 432.274 4.063 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cn(-c2ccccc2)nc1C(C)(C)C 759019729 UQPZGJPECXGGSM-UHFFFAOYSA-N 436.468 4.182 5 20 IIBD COc1ccc(C[C@@H](C)C(=O)OC2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)cc1 759372068 AUZMKTWFCKAAOO-MRXNPFEDSA-N 428.485 4.003 5 20 IIBD C[C@@H](OC(=O)c1cc(Cl)c(N)c(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 761447717 DHQPRAMCFFZKHL-SSDOTTSWSA-N 432.647 4.321 5 20 IIBD CC(C)C[C@H](CCO)CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 761753303 ODVNTWOSKKQUOZ-HNNXBMFYSA-N 447.919 4.275 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(CC[C@@H](O)c2ccccc2)cc1 762995128 AWRYLPURDZTEJG-HSZRJFAPSA-N 447.491 4.020 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(O)(c2ccccc2Cl)CC1 765617342 HHGMXBIWTCEISF-UHFFFAOYSA-N 439.295 4.181 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)cc([N+](=O)[O-])c1 767197308 YMOOYWHAWSRBJD-AWEZNQCLSA-N 436.386 4.420 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 768707934 VIHSZTCOEDNNNQ-CQSZACIVSA-N 430.823 4.457 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 768717542 ZSYRTCGOUCOLRA-UHFFFAOYSA-N 435.933 4.467 5 20 IIBD COc1ccccc1[C@@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccco1 769759144 YHJSUEIYLNQXAB-GOSISDBHSA-N 431.242 4.478 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 769885757 BSEHOIHUESHNIC-UHFFFAOYSA-N 434.905 4.001 5 20 IIBD O=C(COC(=O)c1cc(C(F)(F)F)ccc1Br)c1cccc([N+](=O)[O-])c1 770171083 FAFGOONISFIYMK-UHFFFAOYSA-N 432.148 4.416 5 20 IIBD Cc1c(C(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)csc1Br 774029483 GMNLOBABCNZUST-UHFFFAOYSA-N 440.319 4.196 5 20 IIBD O=C(Nc1ccccc1)c1ccc(OC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1 779325314 NHQKMSAQEOBYFG-UHFFFAOYSA-N 428.404 4.252 5 20 IIBD CCOc1cccc2[nH]cc(CC(=O)O[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c12 782459159 SKKIABDLFUSXOG-LBPRGKRZSA-N 445.859 4.241 5 20 IIBD Cc1ccc(CC(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1Br 782465665 MCVPJTGXJGVGKP-UHFFFAOYSA-N 432.230 4.002 5 20 IIBD O=C(Nc1ccc(Cl)c(Cl)n1)c1cc(I)cc([N+](=O)[O-])c1 782847456 RTVUWKKJSDWMJF-UHFFFAOYSA-N 438.008 4.154 5 20 IIBD C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 783344169 XCYWCPFLVVFJGB-SECBINFHSA-N 430.675 4.241 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)O[C@@H](C)c2nc(C)no2)cc1[N+](=O)[O-] 783378900 PIAZXIVTFFZKHX-NSHDSACASA-N 427.438 4.157 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OCc2nccc(OC)c2OC)cc1 789025415 NDHGWCAYWUVYPX-UHFFFAOYSA-N 440.408 4.165 5 20 IIBD Cc1cc(I)ccc1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790540541 ZIYRQOREHPZYFX-UHFFFAOYSA-N 448.619 4.482 5 20 IIBD Cc1ccc([C@H](C)NC(=O)c2nc(Br)ccc2Br)cc1[N+](=O)[O-] 790735868 KXPYMNQVRWJAMT-VIFPVBQESA-N 443.095 4.314 5 20 IIBD CN(C)c1cc(F)c(C(=O)Nc2cnn(-c3ccccc3Br)c2)cc1[N+](=O)[O-] 791391453 LRQIYQUAGUSVJZ-UHFFFAOYSA-N 448.252 4.000 5 20 IIBD Cc1c(Br)cccc1CC(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 791512410 PMQOGQHYZYBCLU-UHFFFAOYSA-N 432.230 4.002 5 20 IIBD COc1cc(CN(C)C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)ccc1SC 792972275 AMOMNGMTXXAJKO-UHFFFAOYSA-N 445.541 4.220 5 20 IIBD C[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)c1cc(S(N)(=O)=O)c(Cl)cc1Cl 794817717 PQFGNEDTCVVHIG-MRVPVSSYSA-N 438.720 4.053 5 20 IIBD O=C(OCc1ccc(Cl)cc1-n1cncn1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 795480072 HMTIHEJIWJOVIF-UHFFFAOYSA-N 441.856 4.309 5 20 IIBD Cc1nc2cc(F)c(F)cc2n1CC(=O)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 796810930 FPHJORSIOQGFKD-QFIPXVFZSA-N 438.390 4.259 5 20 IIBD C[C@H](COC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 800166023 YQXYZMGAECFENK-LLVKDONJSA-N 444.793 4.344 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)Nc1ccc(N(C)Cc2ccccc2)cc1 800626963 BSDIPPQKHIXNPP-UHFFFAOYSA-N 436.443 4.256 5 20 IIBD CCCCOc1ccc(CNC(=O)C(=O)Nc2c(F)ccc([N+](=O)[O-])c2C)cc1Cl 800633167 LJZBUBMXIHQPQQ-UHFFFAOYSA-N 437.855 4.130 5 20 IIBD CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Br 801044554 YAJSKWJIQJFBTC-IBGZPJMESA-N 446.345 4.388 5 20 IIBD O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc(-c3cnc(Oc4ccccc4)cn3)no2)c1 809444602 INJQUCHUMORJCT-UHFFFAOYSA-N 430.424 4.494 5 20 IIBD Cc1ccc(C2(c3noc(CCc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])n3)CCOCC2)cc1 809522639 YESKFTNDMFCGNF-UHFFFAOYSA-N 438.440 4.076 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCC(=O)c1ccc(C(F)(F)F)nc1Cl 811164393 QUYDHKFZGIISDR-UHFFFAOYSA-N 441.749 4.112 5 20 IIBD O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCCCN1C(=O)c1ccco1 811215785 XKWPRKKBKYAVHS-QGZVFWFLSA-N 441.465 4.049 5 20 IIBD O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CC(c2cccc(F)c2)=NO1 811215863 DLOODSVDPIEXKX-GOSISDBHSA-N 427.413 4.094 5 20 IIBD CN1C(=O)C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@H]1c1ccc(Cl)c(F)c1 813247244 PSLKVRBEUPBTHP-BMLIUANNSA-N 426.231 4.199 5 20 IIBD Cc1ccc(C)c(SCc2nc(=O)c3c(C)c(C(=O)O[C@@H](C)C[N+](=O)[O-])sc3[nH]2)c1 814042999 ACGICDHTRFECBO-LBPRGKRZSA-N 447.538 4.024 5 20 IIBD COc1cc(C(=O)OCc2c(C)nsc2C)c([N+](=O)[O-])cc1OCc1cscn1 816344581 BOVXZDMREONJCT-UHFFFAOYSA-N 435.483 4.069 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1C(=O)c1ccc(F)cc1 900677112 OZRXASJJZBQKTF-UHFFFAOYSA-N 447.378 4.372 5 20 IIBD O=C(Nc1cccc(OC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1)c1ccccc1 916422295 UVDUJNUXDWKZMU-UHFFFAOYSA-N 428.404 4.252 5 20 IIBD CC(C)[C@@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(=O)N[C@H]1CCOc2ccccc21 919212590 UZENKAYSULBNLQ-LAUBAEHRSA-N 438.436 4.162 5 20 IIBD C[C@@H](Cc1ccccc1)n1cccc1C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1254117621 TXPWBNQBHGGTDI-FQEVSTJZSA-N 432.524 4.158 5 20 IIBD CN(C)C(=O)COc1cccc(CNCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c1 1318621651 QGAQSNCKUIRHHD-UHFFFAOYSA-N 443.887 4.265 5 20 IIBD COc1ccc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2C)c2ccc(OC)cc2OC)cc1 1327544354 RJOHGWKCIKPQCM-HSZRJFAPSA-N 436.464 4.448 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)CCc3ccc[nH]3)CCC2)cc1 1785791764 DVWNMHMIDBANKK-UHFFFAOYSA-N 446.507 4.232 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)NC1(c2ccc(NC(=O)[C@@H]3C[C@H]3C3CC3)cc2)CCC1 1786048662 IUERKVMPBCJZAH-FCHUYYIVSA-N 433.508 4.318 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3cc([N+](=O)[O-])cc4c3OCC4)CCC2)cc1)C1=CCCC1 1787622089 ULUSMTTYAIATJD-UHFFFAOYSA-N 447.491 4.388 5 20 IIBD Cc1occc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 1795094338 IXYBEAZCDCCALB-MUJYYYPQSA-N 439.493 4.277 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCCC2(CCN(C(=O)C3(F)CCCCC3)CC2)C1 1804751704 FQMIQLYHPAQMNS-UHFFFAOYSA-N 445.535 4.041 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC2(CCCN(C(=O)CCC3CCCC3)C2)CC1 1808943388 SDTGPSUDJSSVGT-UHFFFAOYSA-N 441.572 4.339 5 20 IIBD Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CC3CCC3)CC2)cc1[N+](=O)[O-] 1830367170 PHAQZICEQCDLPZ-JOCHJYFZSA-N 441.572 4.256 5 20 IIBD Cc1occc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830493373 JSJWPHXHMBUKRP-OAQYLSRUSA-N 443.475 4.182 5 20 IIBD CC/C=C(\C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 1832521931 VGOKETJVKIWIBW-KDRVJRGFSA-N 443.544 4.193 5 20 IIBD Cc1c(C(=O)N2CC3(CCCN3C(=O)/C=C/c3cccs3)C2)cc(Cl)cc1[N+](=O)[O-] 1843025947 HKRKOMKGYFDCCU-AATRIKPKSA-N 445.928 4.149 5 20 IIBD Cc1c(C(=O)N2CCCC23CN(C(=O)C[C@@H]2C[C@@H]4CC[C@H]2C4)C3)cc(Cl)cc1[N+](=O)[O-] 1845499941 AHJFXVKVYKJYSG-IKGGRYGDSA-N 445.947 4.200 5 20 IIBD COc1cc(C(=O)OCc2csc(Nc3ccc(C)cc3)n2)c([N+](=O)[O-])cc1OC 9024022 DDOIVOSDDBMAIY-UHFFFAOYSA-N 429.454 4.478 5 20 IIBD Cc1ccc(C2=NN(C(=O)COC(=O)c3ccc([N+](=O)[O-])cc3)[C@H](c3ccco3)C2)cc1 10647173 MDRWMJRJPAHWSV-FQEVSTJZSA-N 433.420 4.031 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@@H](C)OC(=O)Cn1c2ccccc2c(=O)c2ccccc21 10723319 KVJOYUZCKCTZEN-QGZVFWFLSA-N 444.487 4.042 5 20 IIBD COc1ccc(CNc2nnc(SCc3cc([N+](=O)[O-])cc4c3OCOC4)s2)cc1 25806867 GHBCZXAYNPOSCM-UHFFFAOYSA-N 446.510 4.226 5 20 IIBD CS(=O)(=O)c1ccc(Sc2nc3c(n2-c2ccccc2)CCCC3)c([N+](=O)[O-])c1 32509936 AWFUPDCECFFEQB-UHFFFAOYSA-N 429.523 4.214 5 20 IIBD COc1cccc(Oc2ccc(N[C@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2)c1 61021282 GJFZNYWYNISNDR-NRFANRHFSA-N 433.420 4.140 5 20 IIBD O=C(c1ccccc1)c1ccc(NCCS(=O)(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 64916046 CPLBPQAXUFOBQM-UHFFFAOYSA-N 444.896 4.365 5 20 IIBD O=C(NC1(c2ccc(F)cc2)CCOCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 261460818 VQFDIMHBRAXICJ-UHFFFAOYSA-N 427.457 4.293 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@H]1CCCN1c1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 301832875 RQIPONFINRRQGX-HXUWFJFHSA-N 447.495 4.285 5 20 IIBD CN(Cc1ccc(Br)cc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 317034969 UBTXSFIRNYNEQD-UHFFFAOYSA-N 428.080 4.392 5 20 IIBD COc1cc(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c2ccccc2n1 426076926 KCSNZLTZLGNRCO-UHFFFAOYSA-N 434.374 4.170 5 20 IIBD CC(C)(NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1ccc([N+](=O)[O-])cc1 430527468 VHEGSKFTOQHGEZ-UHFFFAOYSA-N 432.889 4.442 5 20 IIBD Cc1cc(OCC(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)ccc1[N+](=O)[O-] 435611482 AZSLREBYXIIMBR-UHFFFAOYSA-N 426.473 4.329 5 20 IIBD CC1CCN(CCCCNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 435979922 HKPLJIKWPHONNP-UHFFFAOYSA-N 427.495 4.201 5 20 IIBD COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1cc([N+](=O)[O-])ccc1O)CC2 436674283 PCSMVLKARBGZCR-QHCPKHFHSA-N 434.448 4.106 5 20 IIBD COc1cc(CN[C@@]2(CO)CCCc3ccccc32)ccc1OCc1ccc([N+](=O)[O-])cc1 441381390 LZXRMFUFGFLENY-AREMUKBSSA-N 448.519 4.496 5 20 IIBD COc1cc(F)c([C@H](C)NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1OC 444036773 YRNFJYOCHKUONX-LBPRGKRZSA-N 438.430 4.468 5 20 IIBD O=C(NCCCOCCOCc1ccccc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 444303741 DWPMXIPQBPXBLF-UHFFFAOYSA-N 430.504 4.035 5 20 IIBD O=C(NCCCCOCCc1ccccc1)c1sc(Br)cc1[N+](=O)[O-] 445170659 CWDRBQHBGFSDFI-UHFFFAOYSA-N 427.320 4.188 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 446493577 GWHVPRIUKIMFKG-UHFFFAOYSA-N 437.283 4.200 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 446496131 DILAKTQPPJGUJW-UHFFFAOYSA-N 436.512 4.338 5 20 IIBD CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 446535042 HJNYAKLATXNFAK-GFCCVEGCSA-N 443.451 4.072 5 20 IIBD Cc1c(C(=O)Nc2ccc(Cl)c(Br)c2)nnn1-c1cccc([N+](=O)[O-])c1 446625676 SFCHQUQWNRPXQG-UHFFFAOYSA-N 436.653 4.152 5 20 IIBD C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[C@@H](OC1CCOCC1)c1ccccc1 446881036 MBIIEFPWEODJHL-IQMFZBJNSA-N 425.485 4.217 5 20 IIBD CC(C)NC(=O)c1ccc(Cl)c(NC(=O)c2sc(Br)cc2[N+](=O)[O-])c1 447375634 QNQDVCBPEBJUMB-UHFFFAOYSA-N 446.710 4.463 5 20 IIBD CCCN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 461529409 LTGQVTVRUPTOJM-JOCHJYFZSA-N 425.464 4.052 5 20 IIBD C[C@@H](c1ccccc1F)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 461646237 KQDDZIBZSCWKQE-HOTGVXAUSA-N 425.464 4.226 5 20 IIBD O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 462353190 CDNCUGZDMGVNEH-KOMQPUFPSA-N 441.285 4.219 5 20 IIBD O=C(Nc1cc(Br)cc(C(F)(F)F)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 464140477 IBXXKBGAWYQIFP-UHFFFAOYSA-N 447.163 4.400 5 20 IIBD O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 464196588 BXYYXISKYMYBDO-AWEZNQCLSA-N 433.486 4.213 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCOC[C@H]1c1ccccc1 464690351 MEQOVUBNWVVBNC-SFHVURJKSA-N 447.278 4.301 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCCC[C@@H](COC)C2)c([N+](=O)[O-])c1 466635630 ZGAGAYQACYHECM-GOSISDBHSA-N 447.557 4.063 5 20 IIBD C[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 466898051 RIRLWTRSPTZSNZ-LLVKDONJSA-N 441.296 4.127 5 20 IIBD CC1CCN(C(=O)c2ccc(NC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)cc2)CC1 467151653 XMZJADFCBLZPSW-UHFFFAOYSA-N 430.892 4.442 5 20 IIBD O=C(Nc1cccc(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1)C1CCCCC1 470393094 LEHPWGJZYRDJRE-UHFFFAOYSA-N 438.484 4.409 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CCC(Cc2ccc(F)c(F)c2)CC1 470580086 DDYTZBYBJVVUEQ-UHFFFAOYSA-N 441.434 4.281 5 20 IIBD COc1ccccc1[C@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)OC(C)C 471575594 VKIQALPWEBYHPG-QHCPKHFHSA-N 441.528 4.102 5 20 IIBD CC(C)n1c([C@@H]2CCCN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])C2)nc2ccccc21 472592730 OPZCLEPMJMVJPN-QGZVFWFLSA-N 442.541 4.235 5 20 IIBD COC(=O)COc1ccc(CNc2ccc(CN3CCCC[C@@H]3C)cc2)cc1[N+](=O)[O-] 474366117 APDGENFZABMFBX-KRWDZBQOSA-N 427.501 4.133 5 20 IIBD CC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc34)CC2)cc1 479935276 WGHKESYEPADQBE-UHFFFAOYSA-N 434.496 4.405 5 20 IIBD O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 482350941 KUVKBACJBVNGIH-VOIUYBSRSA-N 443.463 4.320 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)Cc2ccc(Br)cc2)cc1OC 482363781 HBLKIVDQLRNMFC-GFCCVEGCSA-N 437.290 4.126 5 20 IIBD O=C(Nc1nnc(Cc2cccc(F)c2)s1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 483065046 CAMBBVZJYKDJPE-UHFFFAOYSA-N 427.461 4.373 5 20 IIBD CCO[C@@H]1C[C@H](NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])[C@H]1OC 483407570 MZYLUENWYXFGJP-FRQCXROJSA-N 436.917 4.322 5 20 IIBD CCn1c([C@H](C)NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])nc2ccccc21 484835470 LQBXRGQGEXGRBN-NSHDSACASA-N 434.399 4.065 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 485842437 IIMCHKXAZIDIBH-IBGZPJMESA-N 447.278 4.301 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(Cl)cc(Br)c2)c(C)c([N+](=O)[O-])c1 485976391 QOTJTDSLZRLNDH-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC)cc1Br 487003209 UUUIUBYQKIVIOU-UHFFFAOYSA-N 441.303 4.357 5 20 IIBD Cc1ccc(S(=O)(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)cc1[N+](=O)[O-] 490035907 DLGOCVNLCBPGQN-FZKQIMNGSA-N 444.431 4.073 5 20 IIBD Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)C2)c1 490437761 WTFFLEODHMNECE-LJQANCHMSA-N 436.512 4.338 5 20 IIBD CCOc1ccc(CN(CCCn2ccnc2)C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1 493100093 ZPNRTYFRAFTYBM-UHFFFAOYSA-N 447.495 4.404 5 20 IIBD C[C@@H](NC(=O)N(C)CCc1ccccc1[N+](=O)[O-])c1noc(-c2ccc(Cl)cc2)n1 498886972 AHWXLCIXQGQKTB-CYBMUJFWSA-N 429.864 4.243 5 20 IIBD CO[C@H]1Cc2ccccc2N(C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 500284514 DIGIVLPSRAQTRH-AWEZNQCLSA-N 426.416 4.310 5 20 IIBD O=c1c2ccccc2nc(SCc2ccc(Cl)cc2[N+](=O)[O-])n1C[C@H]1CCCO1 501141736 JLVXTLSWJDXQQC-OAHLLOKOSA-N 431.901 4.429 5 20 IIBD CC[C@H](C(=O)N1CCC(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1)c1ccccc1 502014606 CYECTJADDBDWNC-FQEVSTJZSA-N 435.480 4.256 5 20 IIBD COC(=O)c1cc(C(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)cc([N+](=O)[O-])c1 503829410 NIZTYQYRHUSVNI-HXUWFJFHSA-N 439.855 4.144 5 20 IIBD CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 505427568 NCFTVBYFMNZIRJ-LJQANCHMSA-N 432.318 4.266 5 20 IIBD CCOc1cc(C(=O)NCCCc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC 507017083 SLSNXLBQIAIANK-UHFFFAOYSA-N 426.391 4.384 5 20 IIBD O=C(NCc1ccc(OC(F)F)c(F)c1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 511182164 ISAJFZZHTFVGQK-UHFFFAOYSA-N 430.357 4.491 5 20 IIBD CC(C)c1ccc([C@H]2CCCCN2C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)cc1 513612557 CMHYYFUEGNQRJL-LJQANCHMSA-N 430.526 4.489 5 20 IIBD Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCc4cc([N+](=O)[O-])ccc43)cc2)cc1 514452918 YJXPXXHIXGUVLX-UHFFFAOYSA-N 436.489 4.080 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(OCc3ccncc3)cc2)cc1[N+](=O)[O-] 517841092 FZHKMLHKXSKALL-UHFFFAOYSA-N 439.493 4.449 5 20 IIBD Cc1cccc(C(=O)N[C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)c1[N+](=O)[O-] 518618849 QVSHXJYCDXSUSG-KRWDZBQOSA-N 431.448 4.231 5 20 IIBD O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 519679738 IJNWJGFBFKEMLS-OAHLLOKOSA-N 430.766 4.361 5 20 IIBD C[C@H]1CCCCN1Cc1ccc(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1 520057405 UBQVAYAQDLCMPB-SFHVURJKSA-N 433.512 4.085 5 20 IIBD CCN1CCN(Cc2ccc(CNCc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)CC1 521815398 YMFLTPLNKVFLHB-UHFFFAOYSA-N 434.540 4.282 5 20 IIBD CCCCOc1c(Cl)cc(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1OC 522930558 ANVMOPIOWPEAQL-OAHLLOKOSA-N 448.907 4.157 5 20 IIBD CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 523947033 WMMVIMQDFHTCPP-INIZCTEOSA-N 429.496 4.067 5 20 IIBD CCNc1ccc(C(=O)OCC)cc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 531910533 FQMGZTAENDBIAI-UHFFFAOYSA-N 440.500 4.058 5 20 IIBD Cc1c(NC(=O)[C@@H](C)N2CCC3(CCN(Cc4ccccc4)C3)CC2)cccc1[N+](=O)[O-] 535681148 NOAHDCULWGCFTK-HXUWFJFHSA-N 436.556 4.218 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)c1 537299250 ADJACYHIASTSGZ-UHFFFAOYSA-N 440.475 4.293 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 538322440 WFZRBSSOJMUREN-UHFFFAOYSA-N 446.525 4.493 5 20 IIBD Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] 539642712 AVXARRFLBUZARJ-DLBZAZTESA-N 435.402 4.313 5 20 IIBD Cc1ccc(-c2noc([C@H](C)NC(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)n2)cc1F 541926230 CGERDPXATZAHMA-JTQLQIEISA-N 436.346 4.185 5 20 IIBD C[C@H](C(=O)N[C@H](C)Cc1ccc(F)c(Br)c1)c1ccc([N+](=O)[O-])cc1F 542528709 ZECUKWCTLJQMLK-MNOVXSKESA-N 427.245 4.486 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(Cc3c[nH]c4cc(Br)ccc34)no2)cc2c1OCO2 545132146 MAKDYDDOEFMNGO-UHFFFAOYSA-N 443.213 4.208 5 20 IIBD COc1cc(Cc2noc(COc3ccc(C(=O)c4ccccc4)cc3)n2)ccc1[N+](=O)[O-] 545763374 PWOZXMLGWVEXPR-UHFFFAOYSA-N 445.431 4.387 5 20 IIBD Cc1oc(-c2ccco2)nc1Cc1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 546470161 DYQHQJIHVWJKPA-UHFFFAOYSA-N 445.229 4.478 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 552733980 XHWPHRKCNDCOJL-INIZCTEOSA-N 449.287 4.111 5 20 IIBD O=C(N[C@@H](CCO)c1ccc(Cl)c(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 553429122 PWHDCXDVFNRYET-KRWDZBQOSA-N 438.311 4.355 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3noc(-c4cccs4)n3)cc2[N+](=O)[O-])C1 553596125 UXIDQTHPZVIVHW-ZIAGYGMSSA-N 441.513 4.119 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2CS(=O)(=O)c2ccccc2)c1 554968877 WWOUCNJDCUAMMM-UHFFFAOYSA-N 440.477 4.220 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC(C)(C)c1cccc(C(F)(F)F)c1 562120079 HMMJRZBEFYTXMC-UHFFFAOYSA-N 437.418 4.209 5 20 IIBD O=C(N[C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 562864955 DVYBKFRYTNAQRH-IRXDYDNUSA-N 445.401 4.260 5 20 IIBD O=[N+]([O-])c1ccc(/C=C\c2nc(-c3cc(C(F)(F)F)ccc3-n3cncn3)no2)cc1 572569871 YXBOYNYCRJMNHI-BAQGIRSFSA-N 428.330 4.415 5 20 IIBD C/C(=C\c1ccccc1OC(F)F)CN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 573946137 LJSLIZLHUMWNHL-JQIJEIRASA-N 431.439 4.058 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CCC[C@H](c2nc3ccccc3s2)C1 574872895 DAMMCNXXKMICDS-SFHVURJKSA-N 438.553 4.421 5 20 IIBD C[C@@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1ccc(Oc2cccnc2)cc1 588901636 SCCXXYXHUNLUFH-MRXNPFEDSA-N 427.482 4.005 5 20 IIBD O=C(N[C@@H]1CC[C@@](O)(C(F)(F)F)C1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 590433153 SGONHVYOYVDRPK-ACJLOTCBSA-N 432.464 4.453 5 20 IIBD O=C(NCC1(c2ccccc2)CCCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 604141961 QMVWYJIJVXUNJQ-UHFFFAOYSA-N 447.438 4.153 5 20 IIBD COC(=O)C[C@@H]1CCCCN1C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 604477628 BFTLKVYKZOYEGM-AWEZNQCLSA-N 435.527 4.069 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1NC(=O)Cc1cccs1 609323156 WHOKAVCRXQTSBH-UHFFFAOYSA-N 445.522 4.201 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCCCc2cccc(Br)c2)cc1OC 609410197 AAKILGSAUPELNB-UHFFFAOYSA-N 437.290 4.127 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NC[C@H]2OCCc3ccccc32)cc1[N+](=O)[O-])c1ccccn1 609580591 FGYNCTSNNGAUHF-WAIKUNEKSA-N 432.480 4.207 5 20 IIBD Cc1ccc(OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(I)c1 610411497 GFPUZXBTNLQEPQ-UHFFFAOYSA-N 437.193 4.137 5 20 IIBD COC(=O)CCc1csc(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)n1 611207380 NAYYCKLORIGCGG-UHFFFAOYSA-N 435.527 4.444 5 20 IIBD CSc1ccc(C(=O)Nc2ccc(N3CCC(N(C)C)CC3)c(F)c2)cc1[N+](=O)[O-] 728256503 FLJCJLCSLZPRSD-UHFFFAOYSA-N 432.521 4.239 5 20 IIBD CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21 729412338 HFJJICPDUYGMMQ-UHFFFAOYSA-N 427.457 4.300 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(C)c(OC(F)F)c(C)c2)c([N+](=O)[O-])c1 730856665 XMIABHGIFPVGHH-GFCCVEGCSA-N 438.383 4.006 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 735566056 VAVMAKSSZULLKN-INIZCTEOSA-N 432.864 4.200 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 735790668 AAHSLXWFVYJBQI-QMMMGPOBSA-N 447.694 4.105 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 736160277 NJWCMXBVRKSEFP-UHFFFAOYSA-N 434.857 4.376 5 20 IIBD Cc1ccc(Nc2cccc(C(=O)OCc3cnc(-c4ccc([N+](=O)[O-])cc4)o3)c2)nn1 737338986 GRFYZLNDXASXLN-UHFFFAOYSA-N 431.408 4.449 5 20 IIBD Cc1ccc([C@H]2CCCCN2C(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cc1 741592242 HYDIEKUPAAICRU-YLJYHZDGSA-N 425.460 4.149 5 20 IIBD Cc1cc(Br)c(S(=O)(=O)Oc2cc([N+](=O)[O-])c(Cl)cc2C)s1 742298996 PEZXGPITMJUXFY-UHFFFAOYSA-N 426.697 4.457 5 20 IIBD COc1ccc(C2=N/C(=C/c3ccc(Br)cc3Cl)C(=O)O2)cc1[N+](=O)[O-] 743281129 NDMQLKANMDOTLJ-AWNIVKPZSA-N 437.633 4.364 5 20 IIBD O=C(OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])[C@H]1C[C@]12CCCc1ccccc12 744118312 YSMLBNFCCZKFRV-HCYUJWNOSA-N 434.492 4.037 5 20 IIBD CN(Cc1cccc(C(F)(F)F)c1)C1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 744165098 SROPRCIWFNLSJK-UHFFFAOYSA-N 433.434 4.362 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@H](C)OCc3ccccc3)CC2)ccc1[N+](=O)[O-] 744204933 UQLSHNUJCAUYQH-KRWDZBQOSA-N 428.485 4.111 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1ccc(Br)c([N+](=O)[O-])c1 744437461 CARCYVLJWFVSIP-UHFFFAOYSA-N 429.274 4.090 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C(=O)N1CCC[C@H]1c1cccs1 744562672 PRZVGXCSPOQUJL-KXBFYZLASA-N 443.525 4.166 5 20 IIBD COc1cc(COC(=O)[C@@H]2SCCc3ccccc32)c([N+](=O)[O-])cc1OC(F)F 745472303 INIYSVKSXQRTKH-QGZVFWFLSA-N 425.409 4.279 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2cc(OCc3ccccc3)ccn2)cccc1[N+](=O)[O-] 745649532 WNGVKDSDWQKAEB-INIZCTEOSA-N 435.436 4.061 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(c3cccc(F)c3)CC2)c(C(F)(F)F)c1 746668764 ACIOFNXMJRKPHG-UHFFFAOYSA-N 432.395 4.321 5 20 IIBD CCCCCCNC(=O)[C@@H]1CCCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C1 748307831 ORIYHRZSXZSNGJ-LJQANCHMSA-N 425.533 4.273 5 20 IIBD CCn1c(SC[C@@H](O)c2cccc([N+](=O)[O-])c2)nc2sc3c(c2c1=O)CCCC3 749642556 WZXTUHUCLLPYLK-OAHLLOKOSA-N 431.539 4.091 5 20 IIBD O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCO[C@@H](c2ccccc2Br)C1 749937849 GNKGMKQMBKGOME-OAHLLOKOSA-N 425.666 4.224 5 20 IIBD Cc1nc(COC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)c(C)s1 751613157 CBQBKYOWHFKPMN-UHFFFAOYSA-N 439.493 4.322 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)C[C@@H](O)c1cccs1 755937822 MJNJWMXJKDLMMP-HXUWFJFHSA-N 425.510 4.144 5 20 IIBD C[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c2ccccc2S1 755980231 WDMYXFZQKBBJGY-JTQLQIEISA-N 429.317 4.047 5 20 IIBD CC[C@@H]1CN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC[C@@H]1NC(=O)OC(C)(C)C 757037060 YZOSXVKEJXPOLB-NUJGCVRESA-N 434.537 4.299 5 20 IIBD O=C(NCc1ccc(Br)cc1F)c1cccc([N+](=O)[O-])c1Br 758337631 XOBNUVWPCPHIBK-UHFFFAOYSA-N 432.043 4.189 5 20 IIBD CN(C)CC1CCN(c2ccc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)cc2)CC1 759146010 USVBJYAIPKQNGI-UHFFFAOYSA-N 435.528 4.035 5 20 IIBD O=C(NC1(Cc2ccccc2)CCC1)c1cc([N+](=O)[O-])ccc1I 760961432 ZMOYSOMYCOTGDU-UHFFFAOYSA-N 436.249 4.095 5 20 IIBD C[C@@](O)(CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1Cl 765228524 HVVILJZOQGRBLQ-MRXNPFEDSA-N 428.670 4.040 5 20 IIBD CCC(C)(CC)C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 767046002 VFQTVTWXWYHZPG-RVDMUPIBSA-N 439.921 4.227 5 20 IIBD Cc1cc(-c2noc(COC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)ccc1F 767358874 QVIFQDDYZLIJIM-UHFFFAOYSA-N 425.294 4.468 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 769600278 SZXRAPMOZYFUEB-UHFFFAOYSA-N 438.209 4.209 5 20 IIBD Cc1cccc(-c2nc(C)c(C(=O)O[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)[nH]2)c1 772108242 VCEAKCKALIHAKU-ZDUSSCGKSA-N 442.859 4.439 5 20 IIBD O=C(OCC1CCN(Cc2ccco2)CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 772688169 CKGKUTGBNAQPRZ-UHFFFAOYSA-N 427.482 4.380 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCc2cccc(NC(=O)OC(C)(C)C)c21 773031340 AEUZQZIFTAFZRR-UHFFFAOYSA-N 433.486 4.002 5 20 IIBD Cc1cc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)n(C(C)(C)C)n1 775088152 ANTIZEXMEXQUFW-UHFFFAOYSA-N 434.518 4.151 5 20 IIBD CSc1cccc(C(=O)OCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1[N+](=O)[O-] 777076167 NVLVLKHCTFLFCQ-UHFFFAOYSA-N 444.465 4.154 5 20 IIBD COc1cccc(C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])cc2)c1 781248864 AWUNKDLXSPNDHY-HNNXBMFYSA-N 448.431 4.018 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N1CCc2ncsc2C1 782635990 TYDOJCMLAJVIJR-LJQANCHMSA-N 428.901 4.443 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 783839207 NGDKSERMUZWCDN-MSOLQXFVSA-N 449.551 4.107 5 20 IIBD Cc1cc(C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)ccn1 789028657 UIVLLCGXPOAWIJ-IBGZPJMESA-N 425.828 4.488 5 20 IIBD CCc1c(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1C1CCCC1 789261811 OKYJMAGQEZLUMN-CYBMUJFWSA-N 425.445 4.437 5 20 IIBD COc1cccc(-c2noc([C@@H](C)NCc3c(Br)cccc3[N+](=O)[O-])n2)c1 792179614 IXRWDMCOUCUQGB-LLVKDONJSA-N 433.262 4.267 5 20 IIBD CCOC(=O)c1csc([C@H]2CCCN2Cc2c(Br)cccc2[N+](=O)[O-])n1 792196997 NUBISVWZXDRKLX-OAHLLOKOSA-N 440.319 4.328 5 20 IIBD Cc1c(CNC(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)cccc1[N+](=O)[O-] 792314860 YJKMTTQBOVKUBV-UHFFFAOYSA-N 442.269 4.074 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N(CCO)Cc1cccnc1Cl 794328497 VBTSWYBKZCMPEY-UHFFFAOYSA-N 435.933 4.313 5 20 IIBD O=C(OCc1ccc(Cl)cc1-n1cncn1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 795562347 SPRJWJNBZMSNIU-UHFFFAOYSA-N 426.738 4.205 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)N(C)CCc3ccccc3[N+](=O)[O-])cc2F)C[C@H](C)O1 796586518 BSUZCOJWXPOWHD-HOTGVXAUSA-N 430.480 4.054 5 20 IIBD C[C@@H](OC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1ccc(SCC(=O)N(C)C)cc1 797257183 SVOKSBOXHAQKMK-OAHLLOKOSA-N 430.526 4.357 5 20 IIBD COc1c([N+](=O)[O-])cc(NCc2cc(C)cc(Cl)n2)c([N+](=O)[O-])c1Br 799967007 VFCDZYPEGOWYBF-UHFFFAOYSA-N 431.630 4.243 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)c1nccn1-c1ccccc1 803072283 HVONKUNVXSSBOE-OAHLLOKOSA-N 427.482 4.437 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 804177792 WPZPHHWFJAHQDN-LJQANCHMSA-N 427.501 4.252 5 20 IIBD CC(C)(C)c1ncc(C(=O)O[C@@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])cn1 808998362 GEBICFQCHPWHDT-HNNXBMFYSA-N 436.306 4.490 5 20 IIBD O=[N+]([O-])c1cc(F)c(S(=O)(=O)N(CCc2ccccc2)Cc2ccncc2)cc1Cl 809813880 TVGAACPHVOMVHN-UHFFFAOYSA-N 449.891 4.216 5 20 IIBD CC(=O)c1oc2cc(C)ccc2c1CC(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 813173109 WFVNTKKRZWMHBL-IBGZPJMESA-N 436.464 4.212 5 20 IIBD O=C(COC(=O)C1(c2ccc(Cl)cc2)CC1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 845086474 XNACFPBGMMGEHY-UHFFFAOYSA-N 442.777 4.481 5 20 IIBD CC(=O)Nc1cccc(NC(=O)[C@@H](OC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C(C)C)c1 877196860 LJXVNZVFXBFVPN-SFHVURJKSA-N 433.848 4.027 5 20 IIBD Cc1cc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)n2)c(C)o1 918182942 YSIMUVKAHZZAIX-UHFFFAOYSA-N 428.470 4.017 5 20 IIBD CS(=O)(=O)Nc1cccc2c1CCN(c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])C2 918735284 GVYXEGTUTUDMRK-UHFFFAOYSA-N 449.838 4.201 5 20 IIBD CC(C)(C)c1ccc(C(=O)Nc2ccc(OC(=O)CCn3cc([N+](=O)[O-])cn3)cc2)cc1 919839673 GJXJQPYMEWEMKI-UHFFFAOYSA-N 436.468 4.337 5 20 IIBD COc1ccc(C)cc1C1(CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCOCC1 919898993 CICCLUJPQNMIGM-UHFFFAOYSA-N 433.892 4.435 5 20 IIBD O=C(Nc1ccc(OS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1)c1ccccc1 920314050 BIKFXMAVBIHSJN-UHFFFAOYSA-N 432.841 4.268 5 20 IIBD CC(=O)NCCCOC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 920502505 SXCJSEINAGYYRP-UHFFFAOYSA-N 431.495 4.039 5 20 IIBD Cc1nn(C)c(C(=O)OCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1[N+](=O)[O-] 920662316 ZWOSIJHUOQDFLE-UHFFFAOYSA-N 426.376 4.136 5 20 IIBD C[C@H](Oc1ccc2ccccc2c1)c1nnc(CN2C(=O)COc3ccc([N+](=O)[O-])cc32)o1 1117192037 SWSBCSWEZMWRLV-AWEZNQCLSA-N 446.419 4.197 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] 1263377226 USOJBDAIRWEAHC-WOJBJXKFSA-N 428.460 4.448 5 20 IIBD C[C@@H](C(=O)NC1(c2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)cc2)CCC1)n1cccc1 1785795695 XIDYQARNJKXBDF-SFHVURJKSA-N 446.507 4.334 5 20 IIBD CSCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1 1786409201 VWGVSNQKOOGJIC-UHFFFAOYSA-N 431.514 4.325 5 20 IIBD C[C@@H]1C[C@]1(C)C(=O)NC1(c2ccc(NC(=O)Cc3cc([N+](=O)[O-])ccc3F)cc2)CCC1 1786672870 VOADGMPEXKYIGG-CMJOXMDJSA-N 439.487 4.457 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C2(NC(=O)c3ccco3)CCC2)cc1 1790791540 IXXAKBFHEJFJDL-UHFFFAOYSA-N 448.479 4.315 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3nc4ccccc4o3)cc2)CCC1)c1ccc([N+](=O)[O-])[nH]1 1790851026 ATTHSYDZPICZOD-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD CC1(C)CC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 1801208945 XBVCCIMWJDRAEV-BJWYYQGGSA-N 441.553 4.498 5 20 IIBD Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C3)c1Cl 1803621321 YCFNMDDMLCVDDB-QDMKHBRRSA-N 445.878 4.261 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)[nH]n1)c1cccs1 1816346182 XBHRXYHRNZRQFK-INIZCTEOSA-N 443.460 4.138 5 20 IIBD C/C=C/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1831367142 GOCNJYNHHMDJBD-QCJINXPPSA-N 437.540 4.360 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1F)N1CC2(CCCN2C(=O)c2cc3sccc3s2)C1 1844033578 CEFZPNCSVOUJTK-UHFFFAOYSA-N 445.497 4.141 5 20 IIBD COc1cc(C(=O)NCc2csc(-c3ccccc3)n2)c([N+](=O)[O-])cc1OC(F)F 10894175 YFSAMQAKRBHMKP-UHFFFAOYSA-N 435.408 4.258 5 20 IIBD NC(=O)Cc1csc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)n1 10908338 KVGPVSIAJXLMAO-UHFFFAOYSA-N 448.913 4.136 5 20 IIBD C[C@H](OC(=O)c1cc(Br)ccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1 11481526 HOFZBNIBQLCQFI-VIFPVBQESA-N 427.638 4.195 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1cccc(Br)c1 15650753 KOFLBTVEECNMCB-VIFPVBQESA-N 427.638 4.195 5 20 IIBD Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NCCNc1ccccc1[N+](=O)[O-] 16235666 XFLONUCWJSOJSW-UHFFFAOYSA-N 446.916 4.434 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1[N+](=O)[O-] 24030984 HCJXVODKJXNJRZ-UHFFFAOYSA-N 426.410 4.378 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 24227736 UMQFTQONMRPNSU-QGZVFWFLSA-N 432.860 4.152 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NC[C@@H]3COc4ccccc4C3)cc2[N+](=O)[O-])n1 28071603 MPZNGBOUZNEEAH-CQSZACIVSA-N 441.534 4.492 5 20 IIBD Cc1ccc(NC(=O)Nc2ccccc2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 58190578 UIWCYEBDWBCRIB-UHFFFAOYSA-N 426.454 4.348 5 20 IIBD CCc1cc(N2CCCN(C(=O)c3ccsc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 64915013 FGZKVMCVFFJTKL-UHFFFAOYSA-N 437.525 4.028 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCN(C)c3ccccc3C2)cc1[N+](=O)[O-])c1ccccn1 110729330 FMHJUQDRNVKGPO-KRWDZBQOSA-N 431.496 4.255 5 20 IIBD COc1cc(CNCc2cccc(C(=O)NCc3ccc(C)cc3)c2)c([N+](=O)[O-])cc1OC 237274168 YJLSIVDXBJWGOT-UHFFFAOYSA-N 449.507 4.140 5 20 IIBD CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 301242205 SWJYMHJARGFGCP-KRWDZBQOSA-N 445.903 4.276 5 20 IIBD CO[C@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1cccc(Cl)c1 301469780 OCRYHTYGLFKBLA-QGZVFWFLSA-N 435.267 4.247 5 20 IIBD C[C@@H](NC1(CNc2ncc([N+](=O)[O-])cc2Br)CCOCC1)c1ccccc1 301565495 VNEUHPCMOIKOBW-CQSZACIVSA-N 435.322 4.064 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])c1 301954397 JEMHXKISPSWUOC-PXNSSMCTSA-N 444.850 4.294 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(-c2cnc(C3CCCC3)nc2N)no1 426223192 RKFZGZDGVHMWMY-UHFFFAOYSA-N 445.277 4.413 5 20 IIBD Cc1cccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1C(=O)N1CCCC1 431778990 PJIUYXHDTMDNBQ-UHFFFAOYSA-N 432.274 4.154 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC1(SC)CCC1 432838042 ZEZVGAWAAXPQRB-UHFFFAOYSA-N 437.543 4.102 5 20 IIBD COC(=O)C[C@@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(F)c1 433582028 SNUNZRDMFREEMB-PIGZYNQJSA-N 440.880 4.289 5 20 IIBD O=C(NCCc1ccccc1F)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435530329 WCSTUDPBJJYHIL-UHFFFAOYSA-N 445.497 4.244 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 435939607 XQPUBRWKNRRLES-UHFFFAOYSA-N 436.515 4.473 5 20 IIBD C[C@@H]1CCCN(C(C)(C)CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 436146044 BOLPHKXHLRUQCY-CQSZACIVSA-N 427.495 4.200 5 20 IIBD COCCOc1ccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1Cl 437889538 NUTRSJVFUDBZIO-UHFFFAOYSA-N 449.891 4.349 5 20 IIBD COC(=O)c1cc(Br)cc(NC(=O)c2cccc([N+](=O)[O-])c2C)c1Cl 440151837 CXCMTWFDVYILPB-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD CCCN(C(=O)Cc1csc(NC(=O)c2ccccc2F)n1)c1cccc([N+](=O)[O-])c1 441454936 UPYHTLAYGYSWOO-UHFFFAOYSA-N 442.472 4.428 5 20 IIBD CN(c1ccc(Oc2ncc([N+](=O)[O-])s2)cc1)S(=O)(=O)c1ccc(Cl)cc1 443416788 USKQPEOWCHDMKM-UHFFFAOYSA-N 425.875 4.322 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c([N+](=O)[O-])c1 443638092 HUWUYQWFOCXRRM-ZIAGYGMSSA-N 442.447 4.090 5 20 IIBD CC(C)[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc(-c2cccnc2)no1 443867130 HYAWPQREFUEWSI-HNNXBMFYSA-N 435.362 4.186 5 20 IIBD CCc1[nH]nc(C(=O)N[C@@H](CC2CC2)c2cc(F)cc(Br)c2)c1[N+](=O)[O-] 444354133 TXORMUNYOYSHDP-AWEZNQCLSA-N 425.258 4.053 5 20 IIBD C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 444410884 NQLDBKAKCYDRLD-XOBRGWDASA-N 426.860 4.036 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 445165258 LIAKZMVLPHQYGU-UHFFFAOYSA-N 430.262 4.173 5 20 IIBD C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 445562906 HJWFUZUTUSCKTF-NSHDSACASA-N 426.347 4.181 5 20 IIBD C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 446578785 WXXOYBUUZPMXJZ-ZDUSSCGKSA-N 431.286 4.151 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3c[nH]nc3-c3nccs3)cc2[N+](=O)[O-])C1 446605737 RVUHNRFPOJYNAW-CHWSQXEVSA-N 426.502 4.176 5 20 IIBD CCNC(=O)N1CCc2ccc(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)cc21 460223550 YAQLKXBVRZZZOL-UHFFFAOYSA-N 437.481 4.063 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(CS(=O)(=O)NC(C)(C)C)c1 462500378 IGMFFOMIOSEFNU-SFHVURJKSA-N 447.557 4.020 5 20 IIBD COc1cc(NC[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)ccc1[N+](=O)[O-] 462804983 TVOZOGVRNVIIPK-GOSISDBHSA-N 425.407 4.108 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2CCC(C(F)(F)F)CC2)c([N+](=O)[O-])c1 462936969 VVWNOPQFAQQYOL-UHFFFAOYSA-N 436.386 4.391 5 20 IIBD CNc1c(C(=O)Nc2ccc(Oc3ccc(S(C)(=O)=O)cc3)cc2)cccc1[N+](=O)[O-] 462994710 QKPPWCMRMCOCAZ-UHFFFAOYSA-N 441.465 4.085 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 463440482 FKERYVIPJIDZIG-UHFFFAOYSA-N 432.402 4.405 5 20 IIBD COc1ccc(-c2ccc(CNC(=O)C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)s2)cc1 464027067 HOIILTSWUGNIGW-UHFFFAOYSA-N 439.493 4.204 5 20 IIBD CS(=O)(=O)c1cc(C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)cc([N+](=O)[O-])c1 464159355 RPAASHDAXWCVCT-UHFFFAOYSA-N 447.856 4.091 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)c2ncccc12 464213751 KKVRQSQQFJTFOA-INIZCTEOSA-N 447.341 4.003 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1cn(-c2ccccc2)nc1-c1cccnc1 466282640 GSQHXLQIKMDAHA-UHFFFAOYSA-N 433.855 4.426 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 472585566 XNPYQJGTJSNZEP-UHFFFAOYSA-N 435.889 4.099 5 20 IIBD O=C(Nc1cccc(COc2cccc(F)c2)c1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 472721553 BNMNZGBVSBDCSZ-UHFFFAOYSA-N 427.363 4.029 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 474663688 RCVFKRNORLFSRM-JKSUJKDBSA-N 425.819 4.247 5 20 IIBD COCCN(C(=O)[C@H]1CC(=O)c2ccccc21)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 475482614 YBMHBNYKINMRSG-SFHVURJKSA-N 437.477 4.068 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cc(-c3ccc(OC(F)F)cc3)no2)cc([N+](=O)[O-])c1 478525885 DGXXSCPJZHTXOV-UHFFFAOYSA-N 447.350 4.280 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@@H]3CCC(F)(F)C3)cc2)cc1[N+](=O)[O-] 479343403 AVDHYWPTSWGMPN-CYBMUJFWSA-N 439.440 4.078 5 20 IIBD Cc1c(CNC(=O)N[C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)cccc1[N+](=O)[O-] 479749799 QUIPTOJSMAXTJR-JTSKRJEESA-N 427.501 4.028 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](c1ccccc1)c1nc2ccccc2n1C 481411204 DTRRWCPVRLDEGU-HSZRJFAPSA-N 429.480 4.108 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)c1C 481626038 WYFISYFZDLUNBA-UHFFFAOYSA-N 445.541 4.417 5 20 IIBD COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1OCc1ccncc1 483858041 QEKOMVBBPYNPPC-UHFFFAOYSA-N 445.378 4.431 5 20 IIBD CC[C@@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)Oc1ccccc1F 484830019 KZESVYTZZZPVEH-HNNXBMFYSA-N 432.839 4.203 5 20 IIBD COc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)c2ccccc2)cc1Br 485200864 FKMMEKZSLGMJGS-IBGZPJMESA-N 444.285 4.224 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(OC)c(OC3CCCC3)c2)cc1OC 485455063 SLRYLDPCOURDET-UHFFFAOYSA-N 444.484 4.262 5 20 IIBD O=C(c1cccnc1SCc1ccc(F)cc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 487038196 RLTJAEKJUUWPOA-UHFFFAOYSA-N 441.488 4.095 5 20 IIBD CCOC(=O)c1ccnc(N2CCCC[C@@H]2CCc2ccc(OC)c(OC)c2)c1[N+](=O)[O-] 487642084 YVHZNSDULSDJFU-QGZVFWFLSA-N 443.500 4.175 5 20 IIBD CCNC(=O)Nc1ccc(C)c(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 487689651 CERNAUDLWLAZMK-UHFFFAOYSA-N 440.378 4.238 5 20 IIBD O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)c1cc2c(c([N+](=O)[O-])c1)OCO2 489162137 MFGKEXRONBDLAU-UHFFFAOYSA-N 431.857 4.073 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 489202431 ZKXWHBCCKQICBA-OAHLLOKOSA-N 425.514 4.415 5 20 IIBD Cc1ccc(S(=O)(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)c([N+](=O)[O-])c1 490048803 MQODOYXNUBOCPT-GUYCJALGSA-N 444.431 4.073 5 20 IIBD CCCn1c2ccccc2c2nnc(SCC(=O)Nc3c(C)cccc3[N+](=O)[O-])nc21 495459007 CJTABTUSYMWZAY-UHFFFAOYSA-N 436.497 4.337 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 501749659 IFFNAROHLOOQNJ-UHFFFAOYSA-N 446.438 4.257 5 20 IIBD COc1ccc([C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)c2ccccc2OC)cc1 502485305 JGUCMCDISJYBLU-HSZRJFAPSA-N 435.480 4.243 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H](C)[C@H]2CCCOC2)cc1[N+](=O)[O-] 504855980 CCSYAJPSNSUEIP-ZBFHGGJFSA-N 428.510 4.093 5 20 IIBD Cc1c(Cl)cccc1NC(=O)CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 505238308 IOLDVFJWGRRCHX-UHFFFAOYSA-N 444.900 4.439 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCCCc2cccc(C(F)(F)F)c2)cc1OC 507017751 XCDIEJYBOOJULA-UHFFFAOYSA-N 426.391 4.384 5 20 IIBD Cc1cc(Br)cc2cc(C(=O)N3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)oc12 507389938 GADOKAJETPZXJG-CQSZACIVSA-N 445.273 4.134 5 20 IIBD O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 509292236 ZJNGDSIZDXKTIK-UOVPBQLFSA-N 437.462 4.335 5 20 IIBD COc1ccc(Cl)cc1N(C)C(=O)c1ccc([N+](=O)[O-])cc1I 510713362 IDPMBRKBADIJKJ-UHFFFAOYSA-N 446.628 4.138 5 20 IIBD Cc1nn(-c2ccc(F)cc2)cc1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 510840868 CMWBHRWOPUEGMF-UHFFFAOYSA-N 435.362 4.151 5 20 IIBD C[C@H](c1ccc(F)cc1F)N1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 513420685 PVTUKYQTTBHNML-MRXNPFEDSA-N 441.482 4.152 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNc1ccc(NC(=O)[C@@H]2CCCO2)cc1C(F)(F)F 517967072 BIXWFJGGTFRXAK-SFHVURJKSA-N 439.390 4.352 5 20 IIBD O=C(Nc1ccccc1)Nc1cccc2c1CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C2 518319490 KWNKOMZBZGRAKL-UHFFFAOYSA-N 430.464 4.366 5 20 IIBD COc1ccc(CCNC(=O)COc2ccc(-c3ccccc3)cc2[N+](=O)[O-])cc1OC 518661031 QWRVVZBXYWXWPQ-UHFFFAOYSA-N 436.464 4.017 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccc(N2CCCCCC2)nc1 518834818 CEKMKMQXPYKDSW-OAHLLOKOSA-N 432.908 4.107 5 20 IIBD O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CC[C@H](C(F)(F)F)[C@@H](CO)C1 521848353 XFBXPBSAWPQGRB-HIFRSBDPSA-N 440.443 4.379 5 20 IIBD C[C@H](NC(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1)c1cccc([N+](=O)[O-])c1 523523640 PTLYAZIENAHWER-LSDHHAIUSA-N 447.333 4.244 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1 524187469 ZWUQWDCIMDLSQA-QFBILLFUSA-N 435.402 4.470 5 20 IIBD CCOc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1OCC 524253238 DMVXAJIXEZRJAT-UHFFFAOYSA-N 437.290 4.127 5 20 IIBD CC(C)[C@@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccncc2)no1 524838743 BCIFYSYLJPDNHU-LJQANCHMSA-N 438.488 4.059 5 20 IIBD COc1ccc([C@H](NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)c2ccc(F)cc2)cc1 525023483 QLQJKEIAXHNXON-OAQYLSRUSA-N 440.427 4.279 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CCC(N(C)c4ccccc4)CC3)cc2)c(C)c1[N+](=O)[O-] 531455543 TXSAYTUEUAFITN-UHFFFAOYSA-N 447.539 4.197 5 20 IIBD O=C(CN1CCO[C@H](c2ccc(F)c(Cl)c2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] 533276172 KUFIQEVFXZULSV-KRWDZBQOSA-N 428.247 4.053 5 20 IIBD CN(C(=O)c1ccc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)cc1)c1ccccc1 535325898 OVQAAHAAACTORE-UHFFFAOYSA-N 447.447 4.285 5 20 IIBD CCCN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C1CCN(C(=O)c2ccccc2)CC1 535674981 IWFLWNHGVCCHJB-UHFFFAOYSA-N 434.496 4.233 5 20 IIBD Cc1cc(C)cc(C2=CCN(C(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)CC2)c1 535815850 IDAKXXRWHKLMPA-UHFFFAOYSA-N 449.536 4.421 5 20 IIBD Cc1nccn1-c1ccc(CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])cc1F 537260412 YSZNNJVBWXPGDS-UHFFFAOYSA-N 431.427 4.220 5 20 IIBD C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](C(=O)Nc1ccccc1)c1ccccc1 537971243 FJKYEZOARKZVPR-UZUQRXQVSA-N 432.480 4.282 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 538244952 XLTQBTWWYXYUNK-NBGIEHNGSA-N 432.907 4.455 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCCC(=O)N1CCc2ccccc21 538255064 JVEHAEXEOWVZBX-UHFFFAOYSA-N 427.526 4.195 5 20 IIBD CCOc1cccc2cc([C@H](C)NC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)oc12 539550573 HMLRJXRRCKDRGK-HNNXBMFYSA-N 439.468 4.067 5 20 IIBD CCOc1c(OC)cc(CNc2ncc([N+](=O)[O-])c(C)c2Br)cc1OC 541579255 UICXZKWSDKAHFC-UHFFFAOYSA-N 426.267 4.089 5 20 IIBD Cc1ccc(C)c(Oc2ccc(CNS(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)cn2)c1 543726297 WDUFIRVKTZZGFC-UHFFFAOYSA-N 441.509 4.061 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(CCCOc3ccccc3F)n2)c(Br)c1 545016079 KNGWJNAUETYEAI-UHFFFAOYSA-N 436.237 4.482 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(CCc3nc4ccccc4n3-c3ccccc3)n2)nc1 545787316 YCWJWMIXHBAOSS-UHFFFAOYSA-N 426.436 4.088 5 20 IIBD C[C@H]1CCCN1C(=O)c1ccc(-c2noc(-c3ccn(-c4cccc([N+](=O)[O-])c4)n3)n2)cc1 545851230 YJVXMPOUDCQDEW-HNNXBMFYSA-N 444.451 4.122 5 20 IIBD O=[N+]([O-])c1ccc2c(ccn2Cc2nc(Cc3ccn(-c4c(F)cccc4F)n3)no2)c1 546546458 RVFCPQDABAHEQK-UHFFFAOYSA-N 436.378 4.036 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CC[C@](F)(c4ccccc4F)C3)cc2)c(C)c1[N+](=O)[O-] 549306821 JCVGVVXVQINDGG-HSZRJFAPSA-N 440.450 4.306 5 20 IIBD CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1Cl 561629384 OSVASBQLIKSMNV-UHFFFAOYSA-N 439.921 4.276 5 20 IIBD CCN(CC)CCn1ccc2cc(NS(=O)(=O)c3c(C)cccc3[N+](=O)[O-])ccc21 561651789 TTYLZTGRUVRWMF-UHFFFAOYSA-N 430.530 4.001 5 20 IIBD CC(=O)c1cc(Br)ccc1OCC(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 563770011 JEXGEWJFQJLSDU-UHFFFAOYSA-N 444.241 4.126 5 20 IIBD O=[N+]([O-])c1ccc(N2CC[C@](CO)(Cc3ccc(F)cc3)C2)nc1-c1ccc(F)cc1 567540328 LZKXDOKVSMLUOS-QHCPKHFHSA-N 425.435 4.367 5 20 IIBD Cc1nn(Cc2ccccc2Cl)c(C)c1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 569636422 SUBWQEVXRYLZJV-SFHVURJKSA-N 440.935 4.191 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 577111642 UMPPAEAKHNRWFK-UHFFFAOYSA-N 425.828 4.295 5 20 IIBD CC(C)Oc1ccc([C@H](CN[C@@H](c2cccc([N+](=O)[O-])c2)c2nccn2C)N(C)C)cc1 577785060 SJVRVDOZSCGFPJ-GOTSBHOMSA-N 437.544 4.097 5 20 IIBD Cc1cccc(C2(NC(=O)C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)CCCC2)c1 580502995 OWPULWOPHBFQDH-UHFFFAOYSA-N 446.301 4.190 5 20 IIBD COc1cc(Cc2noc(-c3cc(Br)c(F)cc3F)n2)ccc1[N+](=O)[O-] 582207310 TXWOKDDJTPWVKF-UHFFFAOYSA-N 426.173 4.285 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ncc(Cc2cc(F)cc(F)c2)s1 603555742 FFOHATQCUNLJDS-UHFFFAOYSA-N 425.438 4.030 5 20 IIBD O=C(Nc1nc2c(s1)CCN(Cc1ccccc1)C2)c1c[nH]c2cc([N+](=O)[O-])ccc12 604258421 SXYRIJRWSWIPSC-UHFFFAOYSA-N 433.493 4.343 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCC[C@H](CCC(N)=O)C3)cc2[N+](=O)[O-])cc1 608906033 UPKDUUIIHGFYEW-MRXNPFEDSA-N 427.526 4.172 5 20 IIBD Cc1cccc(-n2c(Sc3ncc([N+](=O)[O-])c(N)n3)nnc2-c2c[nH]c3ccccc23)c1 609074256 SJWNLZDJJPAECO-UHFFFAOYSA-N 444.480 4.156 5 20 IIBD Cc1ccccc1COc1c(C)cc(CN(C)C(=O)c2c([N+](=O)[O-])c(C)nn2C)cc1C 609652646 DWEZQNYYZLVWEX-UHFFFAOYSA-N 436.512 4.413 5 20 IIBD COc1cc(OCC(=O)Nc2ccnc(Oc3ccccc3Cl)c2)ccc1[N+](=O)[O-] 609816174 SCIRYHXQEZCNFR-UHFFFAOYSA-N 429.816 4.462 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NC[C@H]3CCCO[C@@H]3C(C)(C)C)cc2)c(C)c1[N+](=O)[O-] 609819881 FVFGUTDMDOZGDU-CTNGQTDRSA-N 428.533 4.028 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC(c2c[nH]c3ncccc23)CC1 609844902 YABJFAFJPRNNTC-UHFFFAOYSA-N 431.399 4.484 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]1c1cccc2c1OCCO2 610063285 MWABQPMGVSTXAZ-INIZCTEOSA-N 433.258 4.106 5 20 IIBD CC(C)(C)Cc1nc(-c2ccc(C(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)cc2)no1 610169402 WYESDMFZKHDUSM-UHFFFAOYSA-N 449.511 4.196 5 20 IIBD O=C(Cc1ccn(-c2ccc(F)cc2)n1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 610223715 FNMOJPLEXGIKHJ-UHFFFAOYSA-N 436.365 4.053 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 610614304 LMLAQAKRDQEKQD-JEZHCXPESA-N 433.736 4.248 5 20 IIBD CCOC(=O)c1c(NC(=O)COc2c(Cl)cccc2[N+](=O)[O-])sc(C(C)=O)c1C 610754458 SNFFOTOQOPJNMC-UHFFFAOYSA-N 440.861 4.015 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CCN(CC(F)(F)C(F)F)CC1 611206004 HANBNOLSCQPYOB-UHFFFAOYSA-N 449.470 4.288 5 20 IIBD CCn1ccc(CN(C)C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 616483587 NCOFMOLTYWJRAL-UHFFFAOYSA-N 438.450 4.310 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2 619507624 UPZTZUZYWSKRBF-LLVKDONJSA-N 425.532 4.012 5 20 IIBD O=C(O[C@@H](C(=O)NCc1ccccc1)c1ccccc1)c1cc(F)c(F)cc1[N+](=O)[O-] 725938288 XRXYRSSCRYZWGV-HXUWFJFHSA-N 426.375 4.088 5 20 IIBD CCn1c(COC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])nc2c(F)cccc21 728617522 MNZZQYJBRXIOBW-UHFFFAOYSA-N 439.346 4.071 5 20 IIBD COc1ccc(/C=C(\C(=O)NCc2ccccc2)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] 730151297 JWHMXSYWNFLGBT-AQTBWJFISA-N 428.448 4.337 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccoc1CN1c2ccccc2C[C@H]1C 732842825 NHBOWERCPZSKAR-MRXNPFEDSA-N 449.463 4.243 5 20 IIBD CCCC1=C(C(=O)OCC)[C@H](c2csc(-c3cccc([N+](=O)[O-])c3)n2)NC(=O)N1C 733122383 ZXCWVNOMJCXRIW-KRWDZBQOSA-N 430.486 4.032 5 20 IIBD CCn1cc(CN(C)[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)cn1 733796791 VQGWJNGYTRGUHB-FQEVSTJZSA-N 427.892 4.276 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(N3CCO[C@@H](C)C3)cc2)CC1 736497622 UKXPARWQYJGKTB-SFHVURJKSA-N 438.528 4.309 5 20 IIBD CC(C)N(Cc1ccc(Br)cc1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 742146050 JVDDAMXLJPWIJB-UHFFFAOYSA-N 430.306 4.484 5 20 IIBD CS[C@H]1CC[C@H](NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 742742596 RQOWTDNRWLSIJF-GJZGRUSLSA-N 431.480 4.230 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 744367227 HPLFMGXRQKBKPJ-IUODEOHRSA-N 445.438 4.427 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)c2nc(Cc3ccccc3)no2)cc1SC 744951754 GSMOUFZERWVJDP-LBPRGKRZSA-N 429.454 4.217 5 20 IIBD C[C@H](CC(=O)c1cccc(F)c1)C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 745399446 SSSRXXPHFKJMBW-VXGBXAGGSA-N 436.823 4.167 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 747139099 JRZVMVKYVRQDMV-HXUWFJFHSA-N 430.382 4.491 5 20 IIBD C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 747350120 MUMMXOOWOXLQHX-UPCLLVRISA-N 434.448 4.307 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2cc(-c3cccc(Cl)c3)no2)cccc1[N+](=O)[O-] 748923251 FETFPCKKLYYDSW-LBPRGKRZSA-N 429.816 4.396 5 20 IIBD C[C@H](OC(=O)c1csc([N+](=O)[O-])c1)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 750131860 MKFQICACHSRRQL-NSHDSACASA-N 445.478 4.154 5 20 IIBD O=C(Oc1ccc(Oc2nccs2)cc1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 750764513 AZSXUWSFJIEEGE-CQSZACIVSA-N 445.478 4.115 5 20 IIBD CCc1ccc(C(=O)N2CCC(N(CC3CC3)C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] 750849893 QCASVNMEKGZFSF-UHFFFAOYSA-N 431.533 4.409 5 20 IIBD Cn1ccnc1[C@H](CCc1ccccc1)OC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 754740623 PETYFUQKIBOKPS-NRFANRHFSA-N 431.452 4.045 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1cccc([N+](=O)[O-])c1 755268847 VQYSJKMHLCULRQ-WOJBJXKFSA-N 431.533 4.308 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 755371951 PGLLYVAHQICADP-UHFFFAOYSA-N 449.261 4.121 5 20 IIBD CCCCS(=O)(=O)Nc1ccc(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc1 757229065 AKLNIYWHWNEUDR-UHFFFAOYSA-N 440.909 4.112 5 20 IIBD O=C(COC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(SC(F)F)cc1 758735669 CVKIPSDESYHXSS-UHFFFAOYSA-N 435.408 4.115 5 20 IIBD O=[N+]([O-])c1ccc(Oc2ccc(-c3noc(Cn4cc(Br)cn4)n3)cc2)cc1 761860339 WYOPUTQOEYYINW-UHFFFAOYSA-N 442.229 4.444 5 20 IIBD Cc1ccc(NC(=O)C(C)C)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C 761888981 INBDOKYNUGQYFA-UHFFFAOYSA-N 425.894 4.260 5 20 IIBD CC(C)(C)OC(=O)NC1(Cc2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)CCC1 762307876 FSDPMXPRBHINDS-UHFFFAOYSA-N 427.461 4.040 5 20 IIBD C[C@@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccccc1OC(F)F 762989944 QAZLMBSIRUMUDW-LLVKDONJSA-N 440.374 4.183 5 20 IIBD C[C@H](OC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N(c1nccs1)C1CCCCC1 763397189 DMNUWFANOMLZLZ-GJZGRUSLSA-N 431.514 4.452 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NS(=O)(=O)c1c(Cl)cccc1Cl 764562503 IVEKFKLYHQLZBT-UHFFFAOYSA-N 435.310 4.132 5 20 IIBD O=C(Nc1nnc(/C=C/c2ccco2)s1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 765355772 YPBVVMNKRFDCRG-VQHVLOKHSA-N 425.470 4.452 5 20 IIBD C[C@@H](NC(=O)N(CCNC(=O)OC(C)(C)C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 766594626 GMSOPFRWASOHQZ-QGZVFWFLSA-N 442.516 4.392 5 20 IIBD O=C(OCc1nc(-c2cc(F)c(F)c(F)c2)no1)c1cc([N+](=O)[O-])ccc1N1CCCC1 767994794 NGUCTGLVEQOFIK-UHFFFAOYSA-N 448.357 4.019 5 20 IIBD COc1ccc(OCCOC(=O)c2cnc(Cc3ccccc3F)s2)c([N+](=O)[O-])c1 772829043 GGTCOXRZJAFOIL-UHFFFAOYSA-N 432.429 4.026 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 773462728 RGZJMKXERLRNEV-AWEZNQCLSA-N 443.294 4.094 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cnn(-c3ccc(F)cc3)c1-n1cccc1)CC2 774220418 MLALGMIKWBQHAV-UHFFFAOYSA-N 431.427 4.222 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c([N+](=O)[O-])c1 774867757 BENQIIHGAMHPGS-OAHLLOKOSA-N 427.392 4.072 5 20 IIBD O=C(O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1ccnc(OCC(F)(F)F)c1 776136733 XKCBQDICKMNCLV-SFHVURJKSA-N 433.342 4.272 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1c[nH]cc1-c1ccc(C)s1 778432478 HBEWAMZWZBDENV-GFCCVEGCSA-N 429.454 4.152 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])C1 778707372 QJTCJZMQJUBBNK-KKSFZXQISA-N 441.484 4.270 5 20 IIBD CC(C)(C)OC(=O)N1CCCc2c(C(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc34)cccc21 779032052 OBDGOVSQYOZLND-UHFFFAOYSA-N 437.456 4.411 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 779736737 GBJKCOFWIJVRIM-UHFFFAOYSA-N 430.454 4.346 5 20 IIBD COc1ccc(C(=O)c2ccccc2C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)cc1 781296011 UVWMKTVMLGMHTR-UHFFFAOYSA-N 432.388 4.333 5 20 IIBD CC(C)C[C@@H](NC(=O)COC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccccc1 781678071 NBIVIELZJVOGNF-MRXNPFEDSA-N 449.301 4.418 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 783320168 LWRLZJNFSRXNFS-LJQANCHMSA-N 426.860 4.422 5 20 IIBD O=C(CSc1nnc(-c2cccs2)n1C1CC1)OCc1ccc([N+](=O)[O-])c(F)c1 783450233 DRRTXBKHYSHDPO-UHFFFAOYSA-N 434.474 4.224 5 20 IIBD COCc1cc([N+](=O)[O-])ccc1N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 784402559 KIHWCRLUOGNYPN-UHFFFAOYSA-N 426.391 4.128 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)C[C@@H]21 784553221 DCAKVBFOJDMZLR-AYOQOUSVSA-N 431.533 4.024 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1Br 785661048 LVCDJXUFEZOMII-UHFFFAOYSA-N 448.151 4.214 5 20 IIBD CCc1ccccc1NC(=O)COC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 787454430 PFUNXHPGQGMZGO-IRXDYDNUSA-N 439.512 4.435 5 20 IIBD O=[N+]([O-])c1cc(CSc2nnc(NC[C@@H]3CCCO3)s2)ccc1Br 788099451 OEZGJJXMWKDEJC-JTQLQIEISA-N 431.337 4.092 5 20 IIBD C[C@@H](Nc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1)c1ccc(N)c([N+](=O)[O-])c1 788752235 DGCSRLLWDXUMFA-OAHLLOKOSA-N 446.463 4.025 5 20 IIBD O=C(Cc1cccc(C(F)F)c1)Oc1cc([N+](=O)[O-])ccc1I 790794556 MGVUWVZVDRKREU-UHFFFAOYSA-N 433.148 4.285 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)CC1 791827801 JPVICTMACVMJFJ-NRFANRHFSA-N 436.556 4.083 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N(Cc2ccc(F)cc2F)C2CC2)cc1[N+](=O)[O-] 793034321 MDENNFGYDDMLPT-UHFFFAOYSA-N 431.439 4.300 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@H]21 795098845 HNDHGZQAOUKUQS-VQIMIIECSA-N 428.489 4.081 5 20 IIBD O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)Nc1cccc2ccc(O)cc12 795338483 BONUOOUOSSSBPN-UHFFFAOYSA-N 441.234 4.156 5 20 IIBD Cc1nc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc(-c2ccc(F)cc2)n1 795592225 YWSGXOCDJFOOJS-UHFFFAOYSA-N 436.852 4.262 5 20 IIBD CCC[C@H](C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccccn1 799535741 GIVAWPNTRDCRDD-OCCSQVGLSA-N 439.390 4.463 5 20 IIBD COc1ccc(CSCC(=O)OCc2nc(-c3ccccn3)cs2)cc1[N+](=O)[O-] 800342069 KBUTZEIQJWCNEA-UHFFFAOYSA-N 431.495 4.099 5 20 IIBD O=C(N[C@@H]1CCc2ccccc2OC1)c1cc(Br)cc([N+](=O)[O-])c1Cl 801445169 QFOMDIBGGBDPRG-GFCCVEGCSA-N 425.666 4.134 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)O[C@@H]1CCCC12CCOCC2 802253233 UFCOYEOWGWXTBU-OAHLLOKOSA-N 445.253 4.014 5 20 IIBD CN(C)C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1ccc(Cl)cc1 802381091 GLTXWDNDLSCJQB-AWEZNQCLSA-N 444.688 4.183 5 20 IIBD CS(=O)(=O)Cc1ccccc1OC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 803079614 SNGAESSHPWRZJR-UHFFFAOYSA-N 426.450 4.102 5 20 IIBD O=C(OCc1nc2ccccc2c2ccccc12)[C@@H]1CCCN(C(=O)c2ccncc2)C1 803492930 NLFLLAXJBMQSBQ-LJQANCHMSA-N 425.488 4.379 5 20 IIBD Cc1c(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 803637411 MFXLSGKUKTZDEQ-UHFFFAOYSA-N 439.178 4.043 5 20 IIBD CC[C@H](c1ccccc1OC)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 805145022 LLGKJFQGNOZWLC-OAHLLOKOSA-N 443.319 4.138 5 20 IIBD COc1cc(Cc2noc([C@H]3Cc4cc(Br)ccc4O3)n2)ccc1[N+](=O)[O-] 809435470 XWGOKABYVAEBTM-MRXNPFEDSA-N 432.230 4.016 5 20 IIBD Cc1c(-c2nc(-c3ccc(SC(C)(C)C)cc3)no2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 809440433 ODGZWUQTPCFVGS-UHFFFAOYSA-N 448.526 4.158 5 20 IIBD CN(C(=O)OC(C)(C)C)c1ccc(C(=O)O[C@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)s1 810699014 MYUYEBDWHSBSJT-INIZCTEOSA-N 447.513 4.463 5 20 IIBD Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21 810957594 HXEIOIZJEFVEMQ-MRXNPFEDSA-N 444.488 4.313 5 20 IIBD CCNc1ccc(C(=O)OCC(=O)c2ccc(C(F)(F)F)nc2Cl)cc1[N+](=O)[O-] 811032790 IWWJKFKQTUIIGD-UHFFFAOYSA-N 431.754 4.134 5 20 IIBD O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(O[C@@H]2CCOC2)cc1 811219390 PKBSYPSDBDZXBW-LJQANCHMSA-N 426.450 4.243 5 20 IIBD CSc1ccc([C@H](CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])N(C)C)cc1 814959586 IEXPLVPKWPKBET-KRWDZBQOSA-N 445.513 4.028 5 20 IIBD CC[C@H]1c2ccsc2CCN1C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 815511115 WKMCKFIQVRTNOK-HNNXBMFYSA-N 442.415 4.368 5 20 IIBD O=C(COC(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1)Nc1cccc([N+](=O)[O-])c1 818117720 GRBPFIDAEZKNGN-DLBZAZTESA-N 437.477 4.436 5 20 IIBD CC1=C(C(=O)N(C)C)[C@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1c1ccccc1Cl 887570759 CNDBPMWNGQJVOR-SFHVURJKSA-N 430.917 4.046 5 20 IIBD O=C(NC1CC1)c1ccc(CN(Cc2ccco2)C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1 912859115 VKYBOBBDQATUQN-AUWJEWJLSA-N 445.475 4.322 5 20 IIBD Cc1ccccc1-n1ncc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)c1C(F)(F)F 914984291 HBDPDYUFCHPRJT-UHFFFAOYSA-N 433.342 4.147 5 20 IIBD Cc1ccnc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)c1 917371722 FKLABDGCIYSEGP-UHFFFAOYSA-N 446.872 4.005 5 20 IIBD COc1ccc(-c2ccc(/C=C3/NC(=S)N(c4ccccc4F)C3=O)o2)c([N+](=O)[O-])c1 917608430 XIYDTJAOHMOZHM-MHWRWJLKSA-N 439.424 4.265 5 20 IIBD COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1325967466 GMEGHVNNMSKESN-UHFFFAOYSA-N 448.310 4.369 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(O)(Cc2ccccc2F)CC1 1326686076 FFTIRSZDGFWISK-UHFFFAOYSA-N 432.517 4.446 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccc(C2(NC(=O)[C@H]3CCC=CO3)CCC2)cc1 1786207473 QANGQCAPWDVTFI-SINXNMPMSA-N 437.452 4.028 5 20 IIBD Cc1nc(C(=O)Nc2ccc(C3(NC(=O)CCc4cccc([N+](=O)[O-])c4)CCC3)cc2)co1 1787393806 FIRSBCLPDPQPBW-UHFFFAOYSA-N 448.479 4.272 5 20 IIBD CCOCCC(=O)NC1(c2ccc(NC(=O)c3c(F)ccc([N+](=O)[O-])c3C)cc2)CCC1 1790772272 FSPMZHWICIDPCZ-UHFFFAOYSA-N 443.475 4.217 5 20 IIBD Cc1ccccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc(Cl)cc1[N+](=O)[O-])C2 1799589313 FZCLGVFPWXSTBH-REPLKXPHSA-N 441.915 4.051 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CC=CCC2)[nH]n1)c1cccc(F)c1[N+](=O)[O-] 1821168290 WNIXJVGKBXYZTN-RDTXWAMCSA-N 441.463 4.119 5 20 IIBD CC1=CC[C@H](C(=O)N2CCCC23CN(C(=O)c2cc4cc([N+](=O)[O-])ccc4s2)C3)CC1 1843832421 QQWMXSGPBAZRQK-INIZCTEOSA-N 439.537 4.373 5 20 IIBD O=C(COC(=O)c1cccc([N+](=O)[O-])c1)Nc1cc(C2CCCC2)nn1-c1ccccc1 9765611 KOCSQBIETOWAQS-UHFFFAOYSA-N 434.452 4.234 5 20 IIBD O=C(CN1CCN(c2ccccc2[N+](=O)[O-])CC1)Nc1c(Cl)cccc1C(F)(F)F 15443054 DMIYIYBRRUSSJL-UHFFFAOYSA-N 442.825 4.028 5 20 IIBD CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)COc1ccccc1[N+](=O)[O-] 15647956 XLXFSPYDDQGXJM-UHFFFAOYSA-N 440.283 4.158 5 20 IIBD NC(=O)c1ccc(COC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)c([N+](=O)[O-])c1 16752111 POGYDOWXRNORHF-UHFFFAOYSA-N 445.406 4.405 5 20 IIBD Cc1nn(-c2ccccc2)c(Cl)c1C(=O)O[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 21691691 YRJMCMQRFQKPNV-GFCCVEGCSA-N 446.822 4.065 5 20 IIBD C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1)c1cccc([N+](=O)[O-])c1 25721541 WLORDSQNDOUPFX-HOTGVXAUSA-N 432.498 4.076 5 20 IIBD CCC(CC)C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 25827867 URTSFSNMQPTIFF-UHFFFAOYSA-N 441.553 4.467 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)N(C)CC2CCCC2)cc([N+](=O)[O-])c1C 58294462 WERDDXWMVXTYDJ-UHFFFAOYSA-N 445.541 4.275 5 20 IIBD COc1cc(OCC(=O)N[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)ccc1[N+](=O)[O-] 61315397 OVEKNZJXMHWMAW-FQEVSTJZSA-N 442.418 4.361 5 20 IIBD COc1cc(OCC(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)ccc1[N+](=O)[O-] 63992041 RLGYLZQZSOORBC-UHFFFAOYSA-N 432.436 4.019 5 20 IIBD CCN(CC)C(=O)c1ccc(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 64908959 GVTYZCBETHKZIT-UHFFFAOYSA-N 438.509 4.130 5 20 IIBD Cc1c(C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)nnn1-c1cccc([N+](=O)[O-])c1 108208630 XSGPEHBABZGGBY-UHFFFAOYSA-N 445.483 4.104 5 20 IIBD CSc1nnc(CCCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n1CC(C)C 115194983 AETQIUUJDFLMBE-UHFFFAOYSA-N 433.559 4.142 5 20 IIBD COc1cc(CCNC(=O)NCCc2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])cc1OC 195707965 JIVQRZWLWYFGGJ-UHFFFAOYSA-N 442.299 4.003 5 20 IIBD CN(Cc1ccccc1Br)C(=O)CCNC/C=C/c1ccccc1[N+](=O)[O-] 237141891 OPKSSZGDVYHYEV-RMKNXTFCSA-N 432.318 4.009 5 20 IIBD O=c1c(Cl)c(NC[C@@H]2CCCO[C@H]2c2ccccc2)cnn1-c1ccc([N+](=O)[O-])cc1 301189804 RAPYTVGKLGCDAL-KKSFZXQISA-N 440.887 4.374 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnn(CCOc2ccc(F)cc2)c1C 410235135 BJKLGKFAQNRTEE-UHFFFAOYSA-N 445.476 4.077 5 20 IIBD COc1ccc(-c2ccc(CN[C@H](Cc3cccc(Cl)c3)C(=O)O)o2)c([N+](=O)[O-])c1 426743497 NZLVQVSGQCLJPE-GOSISDBHSA-N 430.844 4.302 5 20 IIBD CCn1cc(S(=O)(=O)Nc2ccc(-c3ccc(OC(C)C)cc3)cc2F)c([N+](=O)[O-])n1 427292656 SKEFZYDFHBYYMF-UHFFFAOYSA-N 448.476 4.205 5 20 IIBD O=C(NCCc1cc(Br)ccc1F)c1ccc(Br)cc1[N+](=O)[O-] 429866370 KXCZUHHMBKCJHJ-UHFFFAOYSA-N 446.070 4.231 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)cc1 430033382 GLIWMHHLFIFKKX-KRWDZBQOSA-N 443.294 4.163 5 20 IIBD O=C(NCCOc1c(Cl)cc(Cl)cc1Cl)c1cc2c(cc1[N+](=O)[O-])OCCO2 430464686 WNSGQUDQFHOKQM-UHFFFAOYSA-N 447.658 4.135 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3cccc(Cl)c3N(C)C)CC2)ccc1[N+](=O)[O-] 431888858 YQAGULNULKQZOE-UHFFFAOYSA-N 447.923 4.067 5 20 IIBD COC(=O)COc1ccc(CNc2ccc(Br)c(Cl)c2)cc1[N+](=O)[O-] 433309368 YZGLWTLZBHWNKF-UHFFFAOYSA-N 429.654 4.175 5 20 IIBD O=C(NCCc1cccc2cccnc12)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 435932416 CDNVNZGFXYADFE-UHFFFAOYSA-N 429.426 4.480 5 20 IIBD C[C@H]1CCCN(CCCCNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 436095497 AZINRIMDLYGTJI-HNNXBMFYSA-N 427.495 4.201 5 20 IIBD O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1O 436961563 BNFUSTKAZZMFAZ-MRXNPFEDSA-N 438.267 4.241 5 20 IIBD O=C(c1csc(I)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437124004 NGMCDMPUSYKJQH-UHFFFAOYSA-N 428.251 4.066 5 20 IIBD Cn1ccnc1[C@@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(Cl)cc1 437925836 LCHIMTKXRCCIHE-FQEVSTJZSA-N 439.903 4.445 5 20 IIBD CC[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(C)(C)c1ccccc1 441027560 CMGPMFVWLHVODW-KRWDZBQOSA-N 435.427 4.007 5 20 IIBD Cc1nc(C)n(Cc2cccc(NC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)c2)n1 444172025 YSBSCJOEFGZZPH-UHFFFAOYSA-N 441.466 4.329 5 20 IIBD C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444322373 IUZJKMNCAKCFEU-QRQCRPRQSA-N 447.485 4.210 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Cc1csc(NC(=O)c2ccccc2F)n1 444737000 QDBRZOIQJOOPFP-UHFFFAOYSA-N 428.445 4.241 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1ccc(Br)c(F)c1 445779782 ADOSTYKJZFGSMQ-UHFFFAOYSA-N 446.070 4.118 5 20 IIBD O=C(N[C@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1)c1cc2ccccc2o1 446624992 PTJSNOXHRIEDKR-INIZCTEOSA-N 433.420 4.122 5 20 IIBD COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)Cc1ccc(Cl)cc1Br 446768059 MMHMZVJGBAZGJY-UHFFFAOYSA-N 449.710 4.099 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1c(Cl)cccc1I 463576749 IRLLKRYEPOXOJN-UHFFFAOYSA-N 430.629 4.125 5 20 IIBD CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OCC)cc1 466518092 XQMASXUIMASLFU-UHFFFAOYSA-N 449.529 4.057 5 20 IIBD C[C@@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1nc(C2CCCCC2)no1 467033050 ABDBXDAQIFMTQB-OAHLLOKOSA-N 443.504 4.340 5 20 IIBD CC(C)(C)[C@@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(F)cc1F 468345097 AMAYRFNBCIVHMT-SFHVURJKSA-N 439.846 4.160 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 468931019 HTYBKPSNQDKNQQ-AWEZNQCLSA-N 428.493 4.196 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 469058972 VRIJOEWWYVIGSP-APWZRJJASA-N 427.526 4.459 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1 470844947 PWJKUGJSAXXBQL-UHFFFAOYSA-N 437.427 4.315 5 20 IIBD CCOC(=O)c1cc(N2CCN(C(=O)c3cc4sccc4s3)CC2)ccc1[N+](=O)[O-] 471710480 BJURPFJQBNCYOH-UHFFFAOYSA-N 445.522 4.010 5 20 IIBD CC(C)NC(=O)Nc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 475220100 NEYJMRJRSXVTEL-UHFFFAOYSA-N 439.394 4.465 5 20 IIBD COC(=O)Cc1cccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 478881396 GBXDPTBKXBCLGD-UHFFFAOYSA-N 428.388 4.060 5 20 IIBD C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2nc(-c3ccccc3Cl)cs2)C1=O 478947315 NGPYATBOZRNSDU-FQEVSTJZSA-N 442.884 4.339 5 20 IIBD C[C@H](Nc1cccc(N2C(=O)COCC2=O)c1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 479553800 KPXVFHVQSWLXGO-AWEZNQCLSA-N 437.477 4.386 5 20 IIBD COc1cc(C(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)cc([N+](=O)[O-])c1C 479904293 UMUKMSUUFWWLTR-UHFFFAOYSA-N 430.464 4.240 5 20 IIBD O=C(Nc1ccn(-c2ncccc2C(F)(F)F)n1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 480093894 FOSXTUZHZVSGAR-UHFFFAOYSA-N 445.279 4.465 5 20 IIBD CCn1c([C@H]2CCCN2S(=O)(=O)c2c([N+](=O)[O-])ccc(C)c2C)nc2ccccc21 481026754 PFRSSIRBRXZMEG-LJQANCHMSA-N 428.514 4.107 5 20 IIBD Cc1ccc(-n2ncc(NC(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)c2C(C)C)cc1 481899891 XPXATOXGKFACJR-UHFFFAOYSA-N 436.468 4.165 5 20 IIBD COc1cc(CCNC(=O)Nc2ccc(OC3CCC3)c(F)c2)c([N+](=O)[O-])cc1OC 483518542 XGCGEDWRGNPESD-UHFFFAOYSA-N 433.436 4.047 5 20 IIBD COc1ccc(OC)c(NC(=O)[C@@H](C)Sc2ccc(Br)cc2[N+](=O)[O-])c1 485293689 WTSDTOXPMQAZMC-SNVBAGLBSA-N 441.303 4.494 5 20 IIBD Cc1cc([C@@H]2CCCN2c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])ccc1Br 485403161 JBSRLROHFHBXBT-INIZCTEOSA-N 439.331 4.411 5 20 IIBD COc1cccc(-n2ccnc2SCC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 488044488 PSYLSSCKOLQYRE-HNNXBMFYSA-N 426.498 4.067 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCc3c(ncn3-c3ccc(C)cc3)C2)cc1SC 489394643 DFQSBNTXVUAIJS-UHFFFAOYSA-N 438.509 4.018 5 20 IIBD O=[N+]([O-])c1ccc2oc(CSc3nnc(-c4ccccn4)n3Cc3ccco3)nc2c1 489434015 CFUHUMOEKCKVLB-UHFFFAOYSA-N 434.437 4.323 5 20 IIBD O=C(N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 490754983 DCQIQUNHXUJFED-IBGZPJMESA-N 447.417 4.211 5 20 IIBD CCc1ccc([C@@H](NCCc2ccc([N+](=O)[O-])cc2)c2cccc(S(C)(=O)=O)c2)cc1 491023647 RNEVVUFDOZRNRE-XMMPIXPASA-N 438.549 4.482 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3cccc(-c4nnnn4C4CC4)c3)cc2[N+](=O)[O-])CC1 491410446 RCWZAPQJDQUWFA-UHFFFAOYSA-N 447.499 4.072 5 20 IIBD COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 493109017 YNZXCAFGGQRRIN-XLIONFOSSA-N 427.501 4.364 5 20 IIBD CC(C)c1cccc(C(C)C)c1NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 497501096 DXLRHZUBRWSBTQ-UHFFFAOYSA-N 433.530 4.149 5 20 IIBD C[C@H]1CN(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)CC[C@H]1O 497826673 WOUDHBQRHUVFPW-YVEFUNNKSA-N 437.855 4.092 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H](c1cccc(F)c1)c1ccccn1 498886527 KOHGVSSXONWRIU-HXUWFJFHSA-N 444.260 4.340 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(COC2CCOCC2)cc1 502081437 YDNOBVBVGHVXRN-INIZCTEOSA-N 430.526 4.087 5 20 IIBD O=C(Nc1cc(CC2CC2)nn1-c1ccccc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 502175846 NPOGEVFOMJPXIT-UHFFFAOYSA-N 428.452 4.171 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 503546720 MJZNQWVONWFVTP-UHFFFAOYSA-N 436.447 4.181 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1 505741547 GVMMEOZURGAAKM-UHFFFAOYSA-N 445.516 4.224 5 20 IIBD COc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1 507310783 WLNIITOADWNPIY-UHFFFAOYSA-N 426.494 4.303 5 20 IIBD COc1ccc(-c2nc(CSc3ccc([N+](=O)[O-])c(S(C)(=O)=O)c3)cs2)cc1 507618363 PUWFPYXECJCFNW-UHFFFAOYSA-N 436.536 4.423 5 20 IIBD CN1CCC(N2CCC(NCc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)CC2)CC1 507896976 RJWWZUGMBKXAAU-UHFFFAOYSA-N 437.588 4.011 5 20 IIBD Cc1cc(I)ccc1NC(=O)CSc1cccc([N+](=O)[O-])c1 509085427 UCEUEUCZFKUQJR-UHFFFAOYSA-N 428.251 4.239 5 20 IIBD O=[N+]([O-])c1cc(CN2CCC[C@H](CN3CCOCC3)C2)ccc1Oc1ccc(F)cc1 513434669 LKMJFFSTGRDVGQ-LJQANCHMSA-N 429.492 4.070 5 20 IIBD C[C@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccc(OCC(F)(F)F)cc1 514028300 CJPVQAYMFUADAB-ZDUSSCGKSA-N 426.395 4.008 5 20 IIBD Cc1cc(C(=O)N2CCN(C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)CC2)c(C)o1 517780806 WJMMSHGSGUMNHL-UHFFFAOYSA-N 448.479 4.146 5 20 IIBD COc1cc(CNC[C@@]2(N(C)C)CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F 518764529 RLHJPFSMUXTGDQ-AUUYWEPGSA-N 433.471 4.145 5 20 IIBD Cc1csc(-c2cccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)c2)n1 518894408 BWWNRCOOCQOSDQ-HNNXBMFYSA-N 442.522 4.332 5 20 IIBD Cc1cc(C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2C(F)(F)F)cc([N+](=O)[O-])c1 518907489 IXRXEPDPDNCXMI-QGZVFWFLSA-N 437.374 4.292 5 20 IIBD CCOc1cc(C(=O)N[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)c([N+](=O)[O-])cc1OC 519069990 DNCWJTJUFBQIQX-ZDUSSCGKSA-N 442.447 4.126 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NCCc2ccccc2O)c([N+](=O)[O-])c1 519169450 FKIGDKGAQPSDQJ-UHFFFAOYSA-N 441.509 4.170 5 20 IIBD COc1ccc(CNC(=O)NC[C@H]2CCCCN2Cc2cccc(Cl)c2)cc1[N+](=O)[O-] 520263682 FIZUJKOEVQNAQZ-LJQANCHMSA-N 446.935 4.111 5 20 IIBD Cc1noc(C)c1C[C@@H](C)NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 523406461 ZIHRVILBUPTDCR-SECBINFHSA-N 438.271 4.053 5 20 IIBD O=C(c1csc(-c2ccccc2Cl)n1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 524572180 NKDLZWHAUFZQIJ-LBPRGKRZSA-N 429.889 4.093 5 20 IIBD COc1cc(CNc2cccc(-n3ccnn3)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 532270656 KGCQDJMEJYJFFF-UHFFFAOYSA-N 431.452 4.375 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C(=O)Nc1ccccc1)c1ccccc1 533487463 AKPVRHXKFQBYBD-QHCPKHFHSA-N 432.480 4.201 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(OC)ccc2c1 534214041 AQWMWZFZLOLKTK-UHFFFAOYSA-N 441.465 4.059 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O 535444674 BBFZIRTVVLRXQM-UHFFFAOYSA-N 449.850 4.021 5 20 IIBD COc1cc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc(OC)c1Br 537209568 XRNCEUFOIAQLOX-UHFFFAOYSA-N 436.262 4.201 5 20 IIBD COc1cc(C(=O)Nc2cc(C)nn2[C@@H]2C[C@H]3CC[C@H]2C3)c([N+](=O)[O-])cc1OC(F)F 538249057 NSNMOBOSOPSBDT-SGMGOOAPSA-N 436.415 4.323 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 539318814 KAPIXNWCOSBYBA-YLJYHZDGSA-N 449.479 4.075 5 20 IIBD CN(Cc1nnc2n1CCCCC2)C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 541639072 NBGYNTWVDUHLST-UHFFFAOYSA-N 443.573 4.467 5 20 IIBD C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1noc(Cc2ccccc2)n1 542232529 MJWVLEHMRCRVQN-GFCCVEGCSA-N 432.889 4.192 5 20 IIBD COc1ccc(NC(=O)C(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 543010266 CDRHCPCZAQGNMV-HNNXBMFYSA-N 438.267 4.212 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1CN[C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 543629061 FHFXTQMLRYDDJJ-QGZVFWFLSA-N 426.517 4.101 5 20 IIBD COc1ccc(Cn2ncc(C)c2NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1OC 544434733 WJGXZLBPWIMVLI-CQSZACIVSA-N 442.447 4.047 5 20 IIBD Cc1nn(Cc2ccc(-c3nc([C@H]4CCN(C)c5ccccc54)no3)cc2)c(C)c1[N+](=O)[O-] 545646964 CESASSPACSXHOA-FQEVSTJZSA-N 444.495 4.478 5 20 IIBD CC(C)NC(=O)Nc1cccc(-c2noc(-c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)n2)c1 547051538 NCZKJDRPOSPHLX-UHFFFAOYSA-N 433.428 4.027 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1)c1cc([N+](=O)[O-])cc2c1OCCO2 548622531 GQICQXYKANYWKN-HNNXBMFYSA-N 448.859 4.220 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc2c(c1)N(CC(F)F)CCS2 551332897 SKHVUTIVWFGJSM-UHFFFAOYSA-N 432.452 4.435 5 20 IIBD CCCC1CCC(N(C)C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 551453750 SRKRYTMAGKQHOW-UHFFFAOYSA-N 426.311 4.113 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCc1nc2cccc(Cl)c2n1C 551649905 DLRSNOQIIIDNQZ-UHFFFAOYSA-N 437.681 4.136 5 20 IIBD CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(OC(C)(C)C)CC1 555329603 VMZVIXXVUPYMJM-UHFFFAOYSA-N 431.537 4.064 5 20 IIBD CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)C)C1 555375002 FIQWFIJNJSSSKV-MJGOQNOKSA-N 442.564 4.031 5 20 IIBD Cc1csc(Oc2ccc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)cc2F)n1 556785348 NQBRNQBIKQYXPB-UHFFFAOYSA-N 431.401 4.315 5 20 IIBD C[C@H](NC(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1)c1cccc([N+](=O)[O-])c1 559107315 JAVHTTIOYWSMHC-ZDUSSCGKSA-N 428.876 4.483 5 20 IIBD CC1CCN([C@H](CN[C@@H](c2cccc([N+](=O)[O-])c2)c2nccn2C)c2ccccc2)CC1 560514097 FKWAKIPLQXLDKJ-RPWUZVMVSA-N 433.556 4.481 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 564441791 CBPMHSDKQRDZHF-UHFFFAOYSA-N 435.362 4.130 5 20 IIBD Cc1ncsc1CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(F)c(F)c1 565331086 DUBQWNAKYOXAQR-UHFFFAOYSA-N 425.438 4.033 5 20 IIBD O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 566827379 WFZYEWWGJXEAEB-UHFFFAOYSA-N 429.326 4.102 5 20 IIBD O=C(Nc1ncc(-c2ccccc2F)s1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 574620551 UZETXJDTESIARI-CYBMUJFWSA-N 446.485 4.162 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 580958743 NZWBDUIRBOTFJH-GOSISDBHSA-N 431.855 4.244 5 20 IIBD NS(=O)(=O)c1ccc(N[C@H](c2ccc(F)cc2)c2ccccc2Cl)cc1[N+](=O)[O-] 600847958 FBHXXYKSLGRNMP-LJQANCHMSA-N 435.864 4.236 5 20 IIBD Cc1c(C(=O)N[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] 603668608 APRRXHZVDCNXLK-KRWDZBQOSA-N 435.402 4.016 5 20 IIBD CS(=O)(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cc1 603785185 ZMCPMSOXMFZQLW-UHFFFAOYSA-N 427.438 4.011 5 20 IIBD C[C@H](N=c1c([N+](=O)[O-])c[nH]c2ccc(Br)cc12)c1ccc2c(c1)CCC(=O)N2 603863482 DBXLAWGEBCUEOX-NSHDSACASA-N 441.285 4.385 5 20 IIBD O=C(NCc1ccc(COc2ccccc2)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 603891719 OHPGBPNQSMTKNK-UHFFFAOYSA-N 428.448 4.290 5 20 IIBD Cc1sc(NC(=O)CCn2cnc3c(C)cccc3c2=O)nc1-c1cccc([N+](=O)[O-])c1 603997485 KQVLLLBGZIKEGY-UHFFFAOYSA-N 449.492 4.074 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c(Cl)c1 604020902 DCYYPAUYCNHNGV-GFCCVEGCSA-N 437.930 4.426 5 20 IIBD COc1cc(C(=O)Nc2nnc(-c3ccsc3)s2)c([N+](=O)[O-])cc1OC(F)F 604118947 OPXLTGMYCZWBIB-UHFFFAOYSA-N 428.398 4.037 5 20 IIBD CCN([C@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] 604493732 GAKWBKAKAMOXLM-GFCCVEGCSA-N 432.420 4.394 5 20 IIBD CC(C)Cc1ccc([C@H](NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C2CC2)cc1 609392616 HNFQHZCPJBIKBL-QFIPXVFZSA-N 443.931 4.444 5 20 IIBD CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1 609697559 ICQCHNINOSKVMT-SSEXGKCCSA-N 426.498 4.080 5 20 IIBD COC(=O)c1cc(NC(=O)c2nn(-c3ccc(C)cc3)c3c2CCCC3)cc([N+](=O)[O-])c1 609884958 KUKPZYJEGVJXPJ-UHFFFAOYSA-N 434.452 4.007 5 20 IIBD CCCOc1c(Br)cc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])cc1OC 609972578 HVWLDEJNVDFXEC-UHFFFAOYSA-N 435.274 4.358 5 20 IIBD COc1ccc(CCC2CCN(C(=O)c3cc(OC)c(OC)c([N+](=O)[O-])c3)CC2)cc1 610169445 AMBGVYAZVNMFFI-UHFFFAOYSA-N 428.485 4.106 5 20 IIBD COc1ccc2c(c1)CC[C@H](NCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-])C2 612194057 RNRPPSBGNKUESE-INIZCTEOSA-N 440.418 4.200 5 20 IIBD COc1cc(CNCc2nn(C)c3ccccc23)ccc1OCc1ccc([N+](=O)[O-])cc1 612692097 RQQLMGCJDBTBTP-UHFFFAOYSA-N 432.480 4.359 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 617761751 KSVGNVWDAURBCG-SBUREZEXSA-N 448.523 4.160 5 20 IIBD CC(C)[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)NC1CCCCCC1 725985104 DWPMAHRYQNNTQM-KRWDZBQOSA-N 441.322 4.378 5 20 IIBD CN(Cc1ccc(Cl)s1)C(=O)c1ccc(I)c([N+](=O)[O-])c1 727748658 XPQVGMPKDXOGRY-UHFFFAOYSA-N 436.658 4.187 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCc1ccc(Br)cc1F 730974617 USXCOAPDPAPGSU-JTQLQIEISA-N 445.672 4.276 5 20 IIBD Cc1ccccc1C[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 734153930 RMKIDAFQYMMDNB-HNNXBMFYSA-N 439.331 4.062 5 20 IIBD CCc1ccc(OC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2OC)c([N+](=O)[O-])c1 734737277 MXBOTBJQILJDKF-MRXNPFEDSA-N 432.860 4.029 5 20 IIBD CCc1ccc(OC(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)c([N+](=O)[O-])c1 734740411 ZHJMYFJSQHNXOF-UHFFFAOYSA-N 427.482 4.183 5 20 IIBD CC(C)(C)c1ccc([C@@H](O)CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 734870725 RLRHSSWUHPFJFA-SFHVURJKSA-N 440.418 4.297 5 20 IIBD O=C(COC(=O)c1csc(Cc2ccccc2F)n1)Nc1cc(Cl)ccc1[N+](=O)[O-] 735558280 LWQRQUGSBXQATM-UHFFFAOYSA-N 449.847 4.230 5 20 IIBD O=C(Cc1csc(-c2cccnc2)n1)OCc1ccc([N+](=O)[O-])cc1Br 739577711 FNYMSROFDSHPGR-UHFFFAOYSA-N 434.271 4.162 5 20 IIBD C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 741924530 FBLUOOXVTBEWBX-XCLFUZPHSA-N 425.913 4.452 5 20 IIBD C[C@@]1(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)CCCN(C(=O)c2ccccc2)C1 741938042 XADDVVAUDZQQKA-XMMPIXPASA-N 449.463 4.236 5 20 IIBD O=C(Nc1ccc(OC(=O)c2c[nH]nc2-c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 742496558 JBNSJTRFIKMFIG-UHFFFAOYSA-N 428.404 4.456 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3cnc([C@@H](C)OCC)s3)CC2)ccc1[N+](=O)[O-] 744203989 LJXKYRHFKMQYSB-CQSZACIVSA-N 449.529 4.373 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)Nc2c(C)cccc2C)c([N+](=O)[O-])cc1OC(F)F 744533399 JDLURPIDGLGWBN-GFCCVEGCSA-N 438.383 4.006 5 20 IIBD O=C(Nc1ccccc1C(=O)Nc1cnn(C(F)F)c1)c1ccc([N+](=O)[O-])cc1Cl 745415066 DDBLGBDXESZNLO-UHFFFAOYSA-N 435.774 4.344 5 20 IIBD O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 746066093 SNESRKJHYGLMPH-CYBMUJFWSA-N 435.839 4.375 5 20 IIBD CCOc1cc(NC(=O)N(CC)C[C@@H](O)c2ccc(C)cc2)c([N+](=O)[O-])cc1OCC 748938162 MIXNUACUQOVFKF-LJQANCHMSA-N 431.489 4.288 5 20 IIBD CCCc1nc(C(=O)OCCOc2ccc([N+](=O)[O-])cc2)nn1-c1ccccc1Cl 748940146 OWPSANDFHLLUKB-UHFFFAOYSA-N 430.848 4.017 5 20 IIBD CC(C)OC(=O)C[C@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])c1ccccc1 749146576 IDHJOHGBESRXCB-INIZCTEOSA-N 442.440 4.086 5 20 IIBD O=C(NC1(c2ccc3c(c2)OCCO3)CCCC1)c1cc([N+](=O)[O-])ccc1Br 751110873 PNDKZLNAHSLBKH-UHFFFAOYSA-N 447.285 4.328 5 20 IIBD O=C(Nc1nc(-c2ccc(Br)cn2)cs1)c1cc(F)c([N+](=O)[O-])cc1F 752983830 UNQNMLJEHAPVQO-UHFFFAOYSA-N 441.213 4.406 5 20 IIBD CCN(CC)Cc1cccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c1 754635645 JGSARDWYWGIHPY-UHFFFAOYSA-N 438.297 4.268 5 20 IIBD COc1cc(C)c([C@@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1OC 754989845 SSZWCXXEZLKJPX-SNVBAGLBSA-N 441.253 4.313 5 20 IIBD COc1cccc([C@@H](O)CNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)c1 755502775 XMJXGSMTHOELDM-FQEVSTJZSA-N 430.526 4.349 5 20 IIBD CC(C)(C)c1ccccc1NC(=O)COC(=O)Cc1ccc([N+](=O)[O-])cc1Br 756526554 JVEWMTNBFPZIBF-UHFFFAOYSA-N 449.301 4.379 5 20 IIBD C[C@H](OC(=O)Cc1ccc(F)cc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 756615499 CWNBPSMPYNCDLY-VIFPVBQESA-N 432.301 4.005 5 20 IIBD CCOC(=O)N1[C@H](c2ccc(C)o2)CC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 756988916 LSCFBWGXNBJOCK-DLBZAZTESA-N 435.864 4.128 5 20 IIBD CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)O[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 759948290 MUDAHJUJEYRRMB-SJORKVTESA-N 432.452 4.256 5 20 IIBD CCCn1ccnc1CCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 760621172 BWLDFDRLMFJYNV-UHFFFAOYSA-N 427.549 4.142 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(-c4ccc(-n5cnc6ccccc65)nc4)n3)c2c1 762307952 GUTPMTJMXZHPJU-UHFFFAOYSA-N 437.419 4.451 5 20 IIBD COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)ncc1Br 763225681 RYFYYOLCIMEREE-UHFFFAOYSA-N 449.305 4.250 5 20 IIBD COc1ccc([C@@H](C)OC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1Cl 764618283 OXXXPSCYFKUPMD-BXUZGUMPSA-N 438.889 4.227 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CCCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 765016809 ZNGVVFXANILCSI-GOSISDBHSA-N 442.516 4.310 5 20 IIBD COc1cc(COC(=O)[C@H]2CCCN(C(=O)Nc3cccc(C)c3)C2)c([N+](=O)[O-])cc1F 766203036 SIVVXTDBBUOCAP-HNNXBMFYSA-N 445.447 4.038 5 20 IIBD C[C@H](c1ccc(Cl)cc1)N(C)C(=O)COC(=O)c1ccc([N+](=O)[O-])c2cccnc12 766230094 OAMLLHYTFRTMGV-CYBMUJFWSA-N 427.844 4.173 5 20 IIBD Cc1cc(Br)cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 766798585 KZSWSKBUODTKNW-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD CN(C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1nc2cccc(Cl)c2s1 767308764 PBTXMIKYWZDMIP-JTQLQIEISA-N 448.863 4.013 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2cccnc2Cl)nnc1-c1ccc([N+](=O)[O-])cc1 768412261 OTOOQJHEMLPOAZ-LLVKDONJSA-N 432.893 4.041 5 20 IIBD C[C@H](C[C@H](O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 771917520 QFVJVWDZSWLLMQ-ZHRRBRCNSA-N 441.509 4.320 5 20 IIBD CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 776580106 VYMNJNBJFRNCQL-GOSISDBHSA-N 426.300 4.286 5 20 IIBD O=C(O)C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1cccc(Cl)c1 776675939 YGXGXYPHVXPOSW-LBPRGKRZSA-N 445.628 4.096 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1NC(=O)c1ccccc1 777921115 SQSIRVABCVCDME-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 778147213 KYYTVDYCNAYDFF-SFHVURJKSA-N 447.919 4.043 5 20 IIBD O=C(Nc1ccnc(Cl)c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 778280070 XWFVUSIHVCIGDI-UHFFFAOYSA-N 429.786 4.016 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1)/C(=C\c1cccs1)n1nnnc1-c1ccccc1 779921155 BMMBGMHERHIKAT-CPNJWEJPSA-N 433.449 4.051 5 20 IIBD O=C(C[C@@H](O)c1ccc(OCc2ccccc2)cc1)OCc1ccc([N+](=O)[O-])cc1F 781280916 DGHZRCRBFDMBOX-JOCHJYFZSA-N 425.412 4.480 5 20 IIBD COc1ccc(N(Cc2ccco2)C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1F 781683161 XQEJRRDXYUYSSN-UHFFFAOYSA-N 443.387 4.410 5 20 IIBD CC(C)=CC(=O)NCc1ccc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 785386596 ZAUBBNLYNNUWPY-UHFFFAOYSA-N 435.402 4.126 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)OCc1nc2cc(C(F)(F)F)ccc2o1 786783412 TUYRDQNFPZKGPK-UHFFFAOYSA-N 447.325 4.425 5 20 IIBD COc1cc(COC(=O)CCc2ccc3ccccc3n2)c([N+](=O)[O-])cc1OC(F)F 791408320 JQZHOOONOFONIQ-UHFFFAOYSA-N 432.379 4.429 5 20 IIBD C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H](c2cccc(C(F)(F)F)c2)O1 795073242 HHJXLJDBJIEDAE-XIKOKIGWSA-N 425.363 4.484 5 20 IIBD CC(C)(C)OC(=O)NCCc1nc(C(=O)OCc2ccc(Cl)cc2[N+](=O)[O-])cs1 795900328 WWIIIKXHOFKXRH-UHFFFAOYSA-N 441.893 4.129 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)OCc2cc3ccccc3nc2Cl)cc1OC 797638693 LUSGKVPGEXTGMF-UHFFFAOYSA-N 446.843 4.187 5 20 IIBD CC(C)(C)OC(=O)NC[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)(C)C 798811745 GPXUYJITBQEORZ-AWEZNQCLSA-N 433.427 4.283 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(N2CCc3ccccc32)CC1 800406615 NCDNYBXYOAFCJX-OAHLLOKOSA-N 428.920 4.102 5 20 IIBD Cc1nc(Cl)c(Cl)cc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 805719043 BDBXZJVGAJFXHF-MRVPVSSYSA-N 432.647 4.442 5 20 IIBD Cc1cc(OS(=O)(=O)c2cnc3onc(-c4ccccc4)c3c2)c(F)cc1[N+](=O)[O-] 810065667 ZSQHVFPDTCIIJX-UHFFFAOYSA-N 429.385 4.013 5 20 IIBD O=C(NC1CCCC1)OC[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 813263251 WMTQZUFJEIASMT-INIZCTEOSA-N 443.422 4.277 5 20 IIBD COc1cc(OC)c(NC(=O)COC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc1Cl 815405283 QFZGNVPOXFLGSI-UHFFFAOYSA-N 443.239 4.023 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(-c4cn5c(Br)cnc5s4)n3)c2c1 815679157 AAOYDPJCJHPINB-UHFFFAOYSA-N 445.258 4.189 5 20 IIBD CC(C)[C@H](OC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C(=O)Nc1cccc2ncccc12 878215765 IRIHXKHHBWKHAX-NRFANRHFSA-N 432.436 4.444 5 20 IIBD COc1ccc([N+](=O)[O-])cc1OC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br 887884239 OILJXXQMQSSCGQ-SECBINFHSA-N 430.638 4.392 5 20 IIBD Cc1cc([N+](=O)[O-])nn1Cc1cccc(-c2nc(-c3ccc(Br)o3)no2)c1 904628355 JEMSIIVTMJTMQZ-UHFFFAOYSA-N 430.218 4.221 5 20 IIBD C[C@H](OC(=O)c1csc(Br)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 913370311 PPCZMULZGZOLTL-ZETCQYMHSA-N 433.667 4.256 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 915309380 YHANVBHROMABAD-UHFFFAOYSA-N 441.669 4.079 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccnc1N1CCCC1 915656148 FZCGCARSVNLDHL-UHFFFAOYSA-N 426.420 4.340 5 20 IIBD CC(=O)Nc1cc(C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)ccc1C 915811010 OFWAJLDBQOMAIY-UHFFFAOYSA-N 433.420 4.333 5 20 IIBD Cc1cc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cc(C)c1OCC(F)(F)F 917846953 JTXRYPGMYKITDK-UHFFFAOYSA-N 439.434 4.491 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccsc1-n1c(C)ccc1C 920059982 BYMWERZXTIMJMR-AWEZNQCLSA-N 443.481 4.256 5 20 IIBD COc1cc(C(=O)NCc2ccc3c(c2)CCC3)c([N+](=O)[O-])cc1OCc1cscn1 1251233594 ZYJMFNVBAHORQU-UHFFFAOYSA-N 439.493 4.058 5 20 IIBD O=C(c1c[nH]c2c(Cl)cc(Br)cc2c1=O)N1Cc2ccc([N+](=O)[O-])cc2C1 1255824564 PCVRJASCJXLCLK-UHFFFAOYSA-N 448.660 4.008 5 20 IIBD CS(=O)(=O)c1ccc(CNCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)s1 1320707474 USLZXQNZMIZZPE-UHFFFAOYSA-N 426.903 4.263 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 1337327197 NYBYKZBWLJCTRO-UHFFFAOYSA-N 436.434 4.003 5 20 IIBD Cc1ccc(-c2nnc(N3CCc4ccc([N+](=O)[O-])cc4C3)n2C[C@@H]2CCOC2)c(C)c1 1346325950 GLECJPBABPXXKJ-SFHVURJKSA-N 433.512 4.069 5 20 IIBD O=C(Cc1cccnc1)NC1(c2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2)CCC1 1790696436 DZMDJOZJQAPJOO-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD Cc1ccc(C(=O)N2CCC3(CCCN(C(=O)c4ccc([N+](=O)[O-])o4)C3)CC2)cc1Cl 1804641911 KRILBDROPMQJEF-UHFFFAOYSA-N 445.903 4.308 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCC2(CCCN(C(=O)C3CCCCC3)C2)CC1 1808970427 VLZRRTSAKOLONI-VQHVLOKHSA-N 429.517 4.013 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])[nH]n1)[C@H]1C[C@@H]1C1CC1 1814762632 FSJRXPRXMXBMHI-HTQCGZCQSA-N 449.511 4.070 5 20 IIBD CC(C)(C)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)[nH]n1 1816760255 AADUTVGZQMHWBV-KRWDZBQOSA-N 431.468 4.199 5 20 IIBD O=C(CC1CCC1)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])[nH]n1 1823432500 ARYJRIVQCREOMV-YVNCXZRQSA-N 437.500 4.214 5 20 IIBD Cc1cc(C(C)(C)C)ccc1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 15113439 AFOUGLVVOJPFBJ-UHFFFAOYSA-N 434.514 4.014 5 20 IIBD CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1nc2ccccc2s1 15514946 DVADXGQDWXALEQ-UHFFFAOYSA-N 435.303 4.038 5 20 IIBD C[C@H](OC(=O)COc1ccc(Cl)c2ccccc12)C(=O)Nc1ccccc1[N+](=O)[O-] 19486559 SFYKBGQGMPXGHZ-ZDUSSCGKSA-N 428.828 4.351 5 20 IIBD COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 21048764 OSAKMOZZQCMJSE-GJZGRUSLSA-N 440.500 4.296 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ncc(Cc3cccc(OC)c3)s2)cc1OC 24031554 RVYFENLGRUQVGI-UHFFFAOYSA-N 443.481 4.310 5 20 IIBD O=C(CSc1nccc(C(F)(F)F)n1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 26476730 WZCLMFLTWRQFMB-UHFFFAOYSA-N 426.298 4.153 5 20 IIBD COc1ccccc1[C@@H](C)NC(=O)[C@H](C)Sc1nc2cc3ccccc3cc2c(=O)n1C 26580926 LBZMGZQAYKYRMC-CVEARBPZSA-N 447.560 4.453 5 20 IIBD O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 29274166 OXDSYQXMPPLKCR-UHFFFAOYSA-N 448.431 4.005 5 20 IIBD O=C(c1ccc(Cl)cc1)c1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 29296812 CAWNTXWNCPVGHY-UHFFFAOYSA-N 449.894 4.442 5 20 IIBD Cc1ccc(C(=O)N(CC(=O)Nc2ccccc2F)Cc2ccccc2F)cc1[N+](=O)[O-] 58494180 QFWHNHBTPHHBMJ-UHFFFAOYSA-N 439.418 4.463 5 20 IIBD COc1ccccc1-c1nc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)cs1 58645543 CXOJYQIHRZFXJS-UHFFFAOYSA-N 427.438 4.141 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCC[C@@H]1Cc1ccccc1Cl 72021686 UIVDGLALFZIRNO-MRXNPFEDSA-N 443.887 4.170 5 20 IIBD O=C1[C@@H](Sc2nnc(-c3cccs3)n2C2CC2)CCN1c1cccc([N+](=O)[O-])c1 78768290 QLUKAUZPRYYWBB-INIZCTEOSA-N 427.511 4.147 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(-n3nc(C)cc3C)c(F)c2)c([N+](=O)[O-])cc1OC 108041855 ZZMZFYJYUXLMOE-UHFFFAOYSA-N 428.420 4.196 5 20 IIBD CC(C)NC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1 108360952 WGSVVLRVEXGUNP-UHFFFAOYSA-N 440.681 4.401 5 20 IIBD O=C(N[C@H](c1ccccc1)c1cc2ccccc2o1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 115345312 RSMWMOVURGQWQS-HSZRJFAPSA-N 439.431 4.441 5 20 IIBD COc1cc(CNc2ccc(CC(=O)N(C)C)cc2)c([N+](=O)[O-])cc1OCc1ccccc1 237262174 OJUSNKWGYGCHFI-UHFFFAOYSA-N 449.507 4.425 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H]3CCOC(C)(C)C3)c([N+](=O)[O-])c2)c(C)c1 301827978 PZUDGVQYOLEMOD-MRXNPFEDSA-N 433.530 4.382 5 20 IIBD O=[N+]([O-])c1cncc(Br)c1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 301896068 YWHMPGBGOXHHIP-KRWDZBQOSA-N 426.698 4.356 5 20 IIBD O=C1[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])CCCN1Cc1cccc(C(F)(F)F)c1 302058518 RDVMNCYHMMBLGD-CQSZACIVSA-N 428.798 4.265 5 20 IIBD CCC[C@@H]1CCc2nc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)sc2C1 303438868 HJCGPPNYXWDMIU-OCCSQVGLSA-N 448.570 4.261 5 20 IIBD CSc1ccc(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)cc1[N+](=O)[O-] 303494357 MFKOUXOHNLPUDJ-ZDUSSCGKSA-N 436.331 4.088 5 20 IIBD C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1nc(-c2ccncc2)cs1 409657617 PGRZHPWDFNNQOL-HNNXBMFYSA-N 437.525 4.207 5 20 IIBD O=C(NCC1CCN(Cc2cccs2)CC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 426286043 DUKWMCJQIGDPNS-UHFFFAOYSA-N 428.558 4.243 5 20 IIBD CN1CCC(N(C[C@H]2C[C@H]3C=C[C@H]2C3)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 426664829 HNKWREWSYIFSOE-IRFCIJBXSA-N 441.575 4.430 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C2CCC2)cc1 427574679 OVAAHFOTOAIRAA-UHFFFAOYSA-N 428.510 4.448 5 20 IIBD CCOC(=O)[C@H](NCc1ccc(C)c([N+](=O)[O-])c1)c1ccc(OC)c(Br)c1 428380911 ZYDXSGKWPYOVMC-GOSISDBHSA-N 437.290 4.068 5 20 IIBD COc1ccccc1[C@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])N1CCCCC1 429864336 IBFYPQJJWDELLE-NRFANRHFSA-N 425.529 4.224 5 20 IIBD Cc1cc(C)cc([C@H](C)NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1 430301312 INHUTKIZNOBTPC-ZDUSSCGKSA-N 434.290 4.098 5 20 IIBD Cc1c(NC(=O)C(=O)N(C)C2CCC(C)(C)CC2)cc(Br)cc1[N+](=O)[O-] 430345129 PUBOYEMKTQOWED-UHFFFAOYSA-N 426.311 4.031 5 20 IIBD CN(Cc1ccccc1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])C1CCCCC1 431080873 NGLZHOOYXAHGKQ-UHFFFAOYSA-N 431.558 4.344 5 20 IIBD O=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1cc(Br)cc([N+](=O)[O-])c1 432216199 LWRXAMFFGJYUSA-UHFFFAOYSA-N 427.258 4.284 5 20 IIBD COc1cc(Br)c(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1OC 432912167 ASTLYPRVBNJMJV-UHFFFAOYSA-N 438.278 4.431 5 20 IIBD C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCc2ccccc2C1 436094010 XFSUVXFBRNGKLW-OAHLLOKOSA-N 447.485 4.136 5 20 IIBD C[C@@H]1CCCCN1CCCCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436103710 NENUHQCJBIGJKD-OAHLLOKOSA-N 427.495 4.344 5 20 IIBD COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1ccc(O)c([N+](=O)[O-])c1)CC2 436628379 PUDWJALNKUUYIV-HSZRJFAPSA-N 434.448 4.106 5 20 IIBD O=[N+]([O-])c1cccc(-c2ncn(C[C@H](O)COc3ccc(Oc4ccccc4)cc3)n2)c1 438817768 GHCDHMQJVCZJLU-IBGZPJMESA-N 432.436 4.086 5 20 IIBD Cc1c(CC(=O)Nc2ccc(Oc3cccc(S(C)(=O)=O)c3)cc2)cccc1[N+](=O)[O-] 438833166 OUKUVKNFTQKTHM-UHFFFAOYSA-N 440.477 4.280 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1(c2noc([C@@H]3CCOC3)n2)CCCCCC1 439496383 VCTIUTHCNRXKDF-MRXNPFEDSA-N 443.504 4.470 5 20 IIBD CO[C@@H](C)c1nc(CN2CCCN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC2)cs1 439603022 JEEHKBIEZZSVDB-HNNXBMFYSA-N 427.530 4.019 5 20 IIBD COC(=O)c1cc(NC(=O)c2c(Br)sc(C)c2C)c(C)c([N+](=O)[O-])c1 440856085 BENWDQZXNBCDJD-UHFFFAOYSA-N 427.276 4.383 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(OC2COC2)cc1 444317304 LLGXFAOOOATLHJ-UHFFFAOYSA-N 428.388 4.122 5 20 IIBD O=C(N=c1nc(Cc2ccccc2)[nH]s1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444691392 YNMASVZPSBDISK-UHFFFAOYSA-N 448.454 4.076 5 20 IIBD Cc1ccc(Cn2nc(C)c(CCC(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)c2C)cc1 446432560 JNSJQKUXRSZVRP-UHFFFAOYSA-N 432.524 4.282 5 20 IIBD O=C(c1ccc(C(=O)N2CC3(CCC3)[C@@H]2C2CC2)c([N+](=O)[O-])c1)N1CC2(CCC2)[C@@H]1C1CC1 461195035 MFCXZJGSGYXCJR-VXKWHMMOSA-N 449.551 4.404 5 20 IIBD CCCOCc1ccccc1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 462527926 VPNCIWUFRFWVFL-UHFFFAOYSA-N 433.313 4.307 5 20 IIBD Cc1cccc(-c2cnc([C@@H]3CCCN3S(=O)(=O)c3ccc(C)cc3[N+](=O)[O-])[nH]2)c1 462609494 CDOBEXZFEMAZMM-SFHVURJKSA-N 426.498 4.128 5 20 IIBD COc1ccc2c(c1)CCC[C@H]2CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 464180676 CCLLGLHXZVSJEC-IBGZPJMESA-N 426.516 4.400 5 20 IIBD CCCN(C(=O)c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(C)C 466974351 KCWRBABMPCXBMA-UHFFFAOYSA-N 425.532 4.026 5 20 IIBD O=C(N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 467839161 LUQMDCFHLZRKBC-HDJSIYSDSA-N 432.267 4.158 5 20 IIBD CC(C)(CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(C(F)(F)F)cc1 469976772 YXKABBBVZJWNDU-UHFFFAOYSA-N 438.402 4.021 5 20 IIBD COc1cc(C(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)c([N+](=O)[O-])cc1OC 470720717 YLYNJYHXZQCNKY-GFCCVEGCSA-N 441.267 4.212 5 20 IIBD COc1cc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)ccc1Br 471481657 UXMKQWRKEJMRJH-UHFFFAOYSA-N 434.290 4.221 5 20 IIBD Cc1sc(CCNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)nc1-c1ccccc1 478846882 XJJUZJZKZGXXFS-UHFFFAOYSA-N 433.493 4.185 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 479297654 BMMLURSXELVONG-MRXNPFEDSA-N 443.656 4.364 5 20 IIBD Cc1cc([C@H]2CCCN2c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])ccc1Br 485403165 JBSRLROHFHBXBT-MRXNPFEDSA-N 439.331 4.411 5 20 IIBD CC(C)(COc1cc(Cl)cc(Cl)c1)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 487044928 MBULPXZYDUFRIG-UHFFFAOYSA-N 441.315 4.367 5 20 IIBD CCN(C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[C@H](C)CS(=O)(=O)CC 487787379 UQYKJBWXUBUSDH-OAHLLOKOSA-N 436.555 4.031 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccccc1SCc1cn2ccccc2n1 490055463 FJLQRXYFHARTSM-UHFFFAOYSA-N 448.504 4.473 5 20 IIBD COc1cc(CNCc2csc(Br)c2)c([N+](=O)[O-])cc1OCC(F)F 491019327 KPVUQPLQHXXCFN-UHFFFAOYSA-N 437.262 4.361 5 20 IIBD O=C(NCCn1cc([N+](=O)[O-])cn1)Nc1ccc(Oc2ccc(Br)cc2)cc1 495163176 HZSISQYIMSKCBD-UHFFFAOYSA-N 446.261 4.168 5 20 IIBD O=C1Nc2cc(Cl)ccc2S[C@@H]1CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 497569652 PKLPTIGDOMZYEU-GOSISDBHSA-N 431.901 4.242 5 20 IIBD CCC(C)(C)[C@H]1CCc2nc(NC(=O)C(=O)N(C)Cc3ccccc3[N+](=O)[O-])sc2C1 498118189 SLEWJYVQPZHRIF-HNNXBMFYSA-N 444.557 4.190 5 20 IIBD CC(C)(C)c1ccc(C(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)cc1[N+](=O)[O-] 499604264 LTJHHPPEKWPYIZ-UHFFFAOYSA-N 432.480 4.470 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 500790972 DNAKYODWGUILCU-OAQYLSRUSA-N 449.532 4.370 5 20 IIBD O=C(CC[S@@](=O)Cc1csc(-c2ccc(F)cc2)n1)Nc1ccccc1[N+](=O)[O-] 507698402 PDHZFRUPFQZVPG-GDLZYMKVSA-N 433.486 4.135 5 20 IIBD O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1I 508890450 FSLWWMJDOWCEHI-UHFFFAOYSA-N 436.127 4.471 5 20 IIBD Cc1ccc(-n2nnc(C(=O)Nc3ccc([N+](=O)[O-])cc3C(=O)c3ccccc3)c2C)cc1 510689659 CYGVEIWZVWPFFR-UHFFFAOYSA-N 441.447 4.276 5 20 IIBD O=C(c1ccc(F)cc1F)N1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 514090288 UTAFWOHWUGPOCA-UHFFFAOYSA-N 427.407 4.091 5 20 IIBD CCn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nc2ccc(Br)cc2c1=O 514585986 QHGZKOJETUQIGY-UHFFFAOYSA-N 448.298 4.062 5 20 IIBD Cn1c(C(=O)Nc2nc3cc(C(F)(F)F)ccc3n2Cc2ccco2)ccc1[N+](=O)[O-] 514721327 WAZTYPBNEHVUHW-UHFFFAOYSA-N 433.346 4.195 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC1CCN(Cc2ccc(F)cc2)CC1 515967115 OQMIQGMHSOEVRS-UHFFFAOYSA-N 443.522 4.075 5 20 IIBD O=C(Cc1ccccc1F)N1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 519079829 MPRSTPZDBJLMEM-UHFFFAOYSA-N 427.479 4.054 5 20 IIBD Cc1cc(-c2noc(-c3ccc([N+](=O)[O-])cc3I)n2)ccc1F 520300401 CTWLKVDMYXUWKD-UHFFFAOYSA-N 425.157 4.364 5 20 IIBD O=C(CCc1nc2ccccc2n1-c1ccccc1)NCCOc1ccc([N+](=O)[O-])cc1 521351131 TVXSLHKYUMGQBP-UHFFFAOYSA-N 430.464 4.062 5 20 IIBD CC(C)n1cc([C@@H](C)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])cn1 524303855 VOBPGNKHCUUCLK-MRXNPFEDSA-N 435.550 4.110 5 20 IIBD Cc1c(Cl)cccc1NC(=O)[C@H](C)[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534061805 VTVCCVPHLJBXPP-FZPQWHJUSA-N 447.900 4.488 5 20 IIBD CCOc1ccc(Cl)cc1CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] 534481597 FGVMIXZLJAIVPM-UHFFFAOYSA-N 427.682 4.382 5 20 IIBD COc1cc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)ncc1Br 534998292 XJPJKVGMUSHCGK-UHFFFAOYSA-N 445.067 4.084 5 20 IIBD O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 535672701 XSGXLFPKMHBVNB-UHFFFAOYSA-N 447.520 4.158 5 20 IIBD CCc1nc2ccccc2n1C1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 536742042 NWPJTDVFLXNNKO-UHFFFAOYSA-N 432.484 4.394 5 20 IIBD CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 538592615 XIPUMDMJVZKRCH-WCRBZPEASA-N 448.523 4.077 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 538651371 UFLIAMUWGYJFAK-GOSISDBHSA-N 440.548 4.359 5 20 IIBD CCc1ccc([C@@H](NCc2ccc(N3CCO[C@H](C)C3)nc2)c2ccc([N+](=O)[O-])cc2)o1 541545712 JSDIFJVUXNJACD-OSPHWJPCSA-N 436.512 4.250 5 20 IIBD Cc1cc(-c2nc(C3CC3)no2)ccc1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 542232045 GXNIHHQECWZEOD-UHFFFAOYSA-N 434.861 4.285 5 20 IIBD CC(C)n1cc([C@H](C)N[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cn1 543503916 SALLENJKUMREAW-KBPBESRZSA-N 428.518 4.174 5 20 IIBD CC(C)C[C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])N[C@H](C)c1ccccc1 543978618 WAJGLZBOVLMHDM-GDBMZVCRSA-N 425.576 4.237 5 20 IIBD Cc1c(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)nnn1-c1cccc(Cl)c1 546493362 LKLFPYUBDHTLQT-UHFFFAOYSA-N 435.831 4.259 5 20 IIBD O=c1oc2cc([N+](=O)[O-])ccc2n1CCCc1nc(-c2cccc(-c3cscn3)c2)no1 547265596 ZDOFARCDGANQLO-UHFFFAOYSA-N 449.448 4.309 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN3CC=C(c4ccc5c(c4)OCCO5)CC3)o2)c1 552784945 IOWQSTHPEZBROL-UHFFFAOYSA-N 433.464 4.353 5 20 IIBD COc1ccc(-n2c(Sc3c([N+](=O)[O-])ncn3C)nnc2-c2ccccc2Cl)cc1 553063760 NAFFKPYPGHUQDQ-UHFFFAOYSA-N 442.888 4.389 5 20 IIBD CC[C@H](C)c1ccc(N(CCc2cnn(C)c2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 565925518 ZQRVPXCONVINCY-KRWDZBQOSA-N 442.541 4.280 5 20 IIBD Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1c1cccc(Br)c1 566530187 WVBSZPYUSPGFBS-KRWDZBQOSA-N 428.290 4.494 5 20 IIBD Cc1ccc(CN2CC[C@@H](CN(C)C(=O)CCCNc3ccc([N+](=O)[O-])cc3)C2)s1 570544267 SEPIPIGWMOCSAF-SFHVURJKSA-N 430.574 4.137 5 20 IIBD COc1ccc([C@H](Cc2ccccc2)NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 581160685 GIFKJJQAGDWNRP-QHCPKHFHSA-N 431.492 4.066 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CC(C)(C)[C@H]2CCC[C@H]21 581904581 RZUCOKUSBXDWAM-DZGCQCFKSA-N 428.270 4.159 5 20 IIBD Cc1cn(-c2c(F)cccc2F)nc1-c1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 589136656 HFNASBMBSUEFSJ-UHFFFAOYSA-N 436.378 4.489 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccnn2Cc2ccc(C)cc2)cc1[N+](=O)[O-] 603565236 IRVBQIOMBVUVOM-UHFFFAOYSA-N 426.498 4.029 5 20 IIBD COCCOc1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c(C)c1 603976723 VGLLDHMYZFSGOU-UHFFFAOYSA-N 427.501 4.417 5 20 IIBD COc1ccc(CC(=O)Nc2ccc(Sc3nnc(C)s3)cc2C)cc1[N+](=O)[O-] 609011612 FOFGBFSLVAFPQJ-UHFFFAOYSA-N 430.511 4.404 5 20 IIBD CC(C)c1nc2ccc(NC(=O)CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2s1 609392034 LVXPNPFEAIZGLZ-UHFFFAOYSA-N 432.889 4.350 5 20 IIBD COc1ccccc1-c1cccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 609555797 MJQGRZZQBBSHQY-UHFFFAOYSA-N 433.468 4.020 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCC(OCc3ccc(F)cc3)CC2)cc1SC 611261923 WANMVRMPPFXDOC-UHFFFAOYSA-N 434.489 4.286 5 20 IIBD O=C(Nc1ccccc1-c1ncc2n1CCCC2)c1cc(O)nc2ccc([N+](=O)[O-])cc12 619581048 NKBZRSDRLWRRSQ-UHFFFAOYSA-N 429.436 4.301 5 20 IIBD CCOc1cccc2cc([C@H](C)N[C@H](C)C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])oc12 619647333 IJARRPVFXYODOS-UONOGXRCSA-N 427.457 4.426 5 20 IIBD Cc1cc(C)c(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)cc1O 619777134 FUUKNFBVIDQZLK-UHFFFAOYSA-N 426.210 4.083 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(c2nc(-c3ccccc3)no2)CC1 619805766 GHAUEDOXSPXKRR-UHFFFAOYSA-N 445.483 4.307 5 20 IIBD C[C@@H](C(=O)Nc1ccc(NC(=O)c2cc3ccccc3c3cccnc23)cc1)n1cncn1 643160319 KPTNADWSYOWAPJ-INIZCTEOSA-N 436.475 4.432 5 20 IIBD CC[C@@H]1CCc2c(sc(=O)n2CN(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)C1 728046329 WUBDPZJZQHXERO-CYBMUJFWSA-N 429.464 4.355 5 20 IIBD CCCN1C(=S)N[C@H](c2csc(CC)n2)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)=C1C 731421995 FKGBVCGYKAZWNB-GOSISDBHSA-N 445.570 4.168 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCc2ccccc2CN2CCCC2)CC1 732308023 QXDPGBQEMMOLKA-UHFFFAOYSA-N 436.556 4.357 5 20 IIBD CC(C)(C)Oc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 734416551 UUZTZFQQJQQHAE-UHFFFAOYSA-N 429.292 4.335 5 20 IIBD O=C(Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)c1cc(F)ccc1[N+](=O)[O-] 734787695 BOGKQWRGMFNNQZ-UHFFFAOYSA-N 428.441 4.101 5 20 IIBD Cc1c(C[S@@](C)=O)cccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 735022099 OPXZWYAOQJGXNK-SSEXGKCCSA-N 429.542 4.270 5 20 IIBD C[C@H](c1nc(-c2cccs2)no1)N1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 735494489 YQKXWZXFGWEJOH-CYBMUJFWSA-N 433.921 4.239 5 20 IIBD C[C@@H](OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(=O)N(C)Cc1nc2ccccc2s1 736865395 AABVLJFWYIEIQM-LLVKDONJSA-N 433.873 4.062 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(Cl)cc1 740422953 UKXIYILVMJBNCV-SNVBAGLBSA-N 441.665 4.045 5 20 IIBD Cc1cc(N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 740868940 FVDNSNPICIBOHK-KSSFIOAISA-N 427.505 4.100 5 20 IIBD COc1ccc(Cl)cc1C[C@H]1CCCN(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 741245082 HXMDPHCECBKZLA-CQSZACIVSA-N 431.876 4.077 5 20 IIBD COc1cc(C(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)cc(NC(C)=O)c1OC 744360066 OJUBJWJYAUXRLU-UHFFFAOYSA-N 447.875 4.281 5 20 IIBD CC[C@@H](OC)C(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 744371551 ASIWMVGDDIZRCG-OAHLLOKOSA-N 427.240 4.484 5 20 IIBD Cc1ccc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1NC(=O)OC(C)(C)C 745454825 VMKGMIWMXGJTPL-UHFFFAOYSA-N 447.419 4.185 5 20 IIBD COCCOc1ccc(Cl)cc1C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 748933393 DVHNRZGBNZUQFY-GFCCVEGCSA-N 447.831 4.241 5 20 IIBD CCCN(C(=O)c1cccc(Cl)c1[N+](=O)[O-])C1CCN(C(=O)c2ccccc2)CC1 750187180 ZJPCYEMJLXLMKO-UHFFFAOYSA-N 429.904 4.405 5 20 IIBD CCOc1ccc(NC(=O)CN2CCCCC[C@@H]2C[C@@H](O)c2cccs2)c([N+](=O)[O-])c1 750838709 QMVQSISSUKNBNO-OXQOHEQNSA-N 447.557 4.362 5 20 IIBD Cc1nc(-c2ccccc2)oc1C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 750945531 DYVCBPKMUPAWQW-LBPRGKRZSA-N 429.816 4.396 5 20 IIBD O=C(NCCCOc1cccc2cccnc12)c1cccc([N+](=O)[O-])c1Br 753817550 GFESWNLXUYVZQO-UHFFFAOYSA-N 430.258 4.104 5 20 IIBD Cc1c([N+](=O)[O-])cnc(NC2CCC(NC(=O)OC(C)(C)C)CC2)c1Br 754042427 DVXZIXJWJPGBJA-UHFFFAOYSA-N 429.315 4.309 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 754989561 SAHADJZXYQACOD-SSDOTTSWSA-N 446.174 4.133 5 20 IIBD CCN(CC)C(=O)c1ccc(CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1 755035204 GGCIPMOOALVSEF-UHFFFAOYSA-N 449.305 4.161 5 20 IIBD Cc1ccc([C@@H](NC(=O)COC(=O)CCc2cccc([N+](=O)[O-])c2)c2cccs2)cc1 756538221 VOPUDMYYWAPUKH-HSZRJFAPSA-N 438.505 4.346 5 20 IIBD Cc1ccc(-c2nnc([C@H](C)OC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)o2)cc1C 758934367 WSXMKYXTSWUZCQ-HNNXBMFYSA-N 433.424 4.365 5 20 IIBD O=C(Nc1ccc(Oc2cccnc2)nc1)c1cc(F)cc([N+](=O)[O-])c1Br 762246714 JFXMIIMIUHRZIO-UHFFFAOYSA-N 433.193 4.331 5 20 IIBD CNc1c(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cccc1[N+](=O)[O-] 765516493 KMHDWUJGKMUIGV-SECBINFHSA-N 445.781 4.493 5 20 IIBD CCc1cc(Cl)c(Cl)cc1OC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 766959071 DAINJFXKGAOPJF-UHFFFAOYSA-N 437.235 4.337 5 20 IIBD O=C1NC2(CCN(C(=O)c3cccc(Sc4ccc(Cl)cc4)c3[N+](=O)[O-])CC2)CO1 767116445 HQPZPZQEVDLCKE-UHFFFAOYSA-N 447.900 4.114 5 20 IIBD O=C(O)CSCc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 767155690 YXYMTONDSCWAAV-UHFFFAOYSA-N 429.498 4.155 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 768275030 ZONNJCAAAVDUBI-ZDUSSCGKSA-N 449.504 4.024 5 20 IIBD O=C(OCCOc1cc(Cl)ccc1Cl)c1cc(Br)ncc1[N+](=O)[O-] 769824583 DKCCATHJWMXCJP-UHFFFAOYSA-N 436.045 4.295 5 20 IIBD C[C@H]1CN(c2cccc3cnccc23)CCN1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 772382019 GDIIMPZZMXKAFJ-HNNXBMFYSA-N 439.903 4.217 5 20 IIBD C[C@H](OC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1ncc(Cl)n1C 773878912 SOESSSXCUCVQQT-QMMMGPOBSA-N 444.662 4.392 5 20 IIBD O=C1OCCN1c1ccc(S(=O)(=O)Nc2ccccc2-c2cccs2)cc1[N+](=O)[O-] 777599520 FBMOLXCWFBTETQ-UHFFFAOYSA-N 445.478 4.081 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C1CCC(NC(=O)OC(C)(C)C)CC1 779359553 GOHULBDNENAIHR-UHFFFAOYSA-N 443.447 4.104 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 780806775 HSILSONXGHTMKT-FXAWDEMLSA-N 449.551 4.495 5 20 IIBD O=C(Nc1cc(Br)c(F)cc1Cl)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781715749 NTJQVCNXVZAZAU-HNNXBMFYSA-N 442.628 4.282 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCC[C@H]2c2ccccc2C(F)(F)F)cc1 784148553 ZGDVUPOWJALILX-SFHVURJKSA-N 428.432 4.224 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCCC[C@H]1c1nc2ccccc2o1 785118194 PDUVPEQHZBAHPP-HNNXBMFYSA-N 428.832 4.082 5 20 IIBD COc1cc(C(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)cc([N+](=O)[O-])c1C 790279840 VGPWTGARWJNLRK-UHFFFAOYSA-N 449.419 4.145 5 20 IIBD C[C@@H](Cc1cccc(Br)c1)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790547377 RJWQOTNIDVGODT-JTQLQIEISA-N 429.673 4.440 5 20 IIBD O=C(N[C@H]1CCc2cc(F)ccc21)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 790690205 LGLRMBZKHZIQEH-KRWDZBQOSA-N 434.265 4.252 5 20 IIBD O=C(OC[C@H]1CC2(CCC2)C(=O)O1)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 791266783 HVAIWZGYVGZVCE-CQSZACIVSA-N 443.839 4.122 5 20 IIBD CC(C)(C)OC(=O)N1CC=C(CCNCc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 793330864 DUWFOXXDJDYGPZ-UHFFFAOYSA-N 427.448 4.243 5 20 IIBD CCC(=O)c1ccc(N2CCN([C@@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)c([N+](=O)[O-])c1 795067214 QZKVKXDMNLQZAY-KRWDZBQOSA-N 449.511 4.429 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)Cc2ccc3n[nH]cc3c2)c2ccccc2)c([N+](=O)[O-])c1 796120138 SYNJMRKVSBPBGQ-HSZRJFAPSA-N 444.447 4.245 5 20 IIBD C[C@H](OC(=O)[C@@H](C)[C@H]1OCCc2sccc21)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 796488547 GJLHRLCMKFTZIA-NVGCLXPQSA-N 429.454 4.261 5 20 IIBD O=C(NCCOC(=O)c1ncccc1Oc1ccccc1)c1ccc([N+](=O)[O-])cc1Cl 799604974 WIUDNWUUKCHQCR-UHFFFAOYSA-N 441.827 4.022 5 20 IIBD Cc1ccc(NC(=O)Cc2nc(COC(=O)c3cc([N+](=O)[O-])cc(C)c3F)cs2)cc1 803459450 WEYWNLDKUIKXTL-UHFFFAOYSA-N 443.456 4.345 5 20 IIBD COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)C1 803496082 AUMJMXNETKRMKQ-SFHVURJKSA-N 448.463 4.301 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(C(F)(F)F)cc(Br)n1 806797491 NPKKSJHCFVDFCD-UHFFFAOYSA-N 447.211 4.478 5 20 IIBD Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813242592 RBGMWVKNDNVGNV-MRXNPFEDSA-N 438.267 4.072 5 20 IIBD O=[N+]([O-])c1c(Cl)cccc1OS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 815056144 FDKKGZDIVUEXNX-NSHDSACASA-N 448.280 4.085 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@@H](c2nc(-c3cccc(OCc4ccccc4)n3)no2)C1 815704100 WHAUZNBVQYPUNN-HXUWFJFHSA-N 443.419 4.485 5 20 IIBD CC(=O)OCCCc1cccc(NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)c1 821198073 KPZZANHHCAMCGL-UHFFFAOYSA-N 447.296 4.198 5 20 IIBD CCc1ccc([C@H](C)NC(=O)[C@@H](C)OC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 853790420 DSOIMVFNMKJZJJ-QWHCGFSZSA-N 449.301 4.342 5 20 IIBD Cc1c(C(=O)Nc2nc3ccc(Br)cc3s2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 904797870 HEEWRIXAZMSCJJ-UHFFFAOYSA-N 437.231 4.436 5 20 IIBD Cc1ccc(-c2nc(CC(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cs2)o1 914966223 FQJIVSFUHQDWPU-LLVKDONJSA-N 449.872 4.386 5 20 IIBD C[C@H](OC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(=O)Nc1ccc(Cl)cc1Cl 915471157 HVYGNLPSCJPZIR-NSHDSACASA-N 449.250 4.271 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 916414264 ZKQCQUPNNVSKOX-KFWWJZLASA-N 433.505 4.467 5 20 IIBD CCN(CC)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 916553505 SCQRWCRHYDUZJT-GOSISDBHSA-N 425.510 4.019 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)Cc3ccccc3[N+](=O)[O-])cc2[N+](=O)[O-])C1 917101789 BJYSOOHZAHHAGF-IYBDPMFKSA-N 426.473 4.258 5 20 IIBD CN(C[C@H]1CCCCO1)C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 918684014 IYJNVCNPNJHMHM-OAHLLOKOSA-N 431.876 4.142 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1 918698402 DCHRBNUZRVOMKD-IYBDPMFKSA-N 431.464 4.064 5 20 IIBD Cc1ccc(C(=O)N(C)c2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)cc1 921244323 YNRDZGXLGJNVAD-UHFFFAOYSA-N 435.392 4.307 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N1CCc2nc[nH]c2C1 929080623 LQPIMAXHESUIGX-LFIBNONCSA-N 445.504 4.443 5 20 IIBD Nc1c(C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)cc(Br)cc1[N+](=O)[O-] 1327144624 GIQIKIRMLTXXII-UHFFFAOYSA-N 445.151 4.352 5 20 IIBD O=C(NC1(c2ccc(NC(=O)C3Cc4ccccc4C3)cc2)CCC1)c1ccc([N+](=O)[O-])o1 1792368521 ANYPAWJZPVMQRF-UHFFFAOYSA-N 445.475 4.351 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1F)c1cc(Cl)ccc1F 1800348943 DCPTXIKXHBAZBW-BTTYYORXSA-N 449.841 4.092 5 20 IIBD Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)c1F 1823901728 WWJRWSNHRACGDK-GOSISDBHSA-N 443.475 4.182 5 20 IIBD C[C@@H]1CCC[C@@H]1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830617429 OYNJJTDPMKKYMQ-URZJWIJPSA-N 445.535 4.403 5 20 IIBD O=C(C1CCCCC1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 1830703414 RPUMEBJEQGESCY-QFIPXVFZSA-N 443.544 4.114 5 20 IIBD CC(C)Cc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)cc1 1845403867 QAJLCDUGPFYWPX-UHFFFAOYSA-N 439.487 4.063 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 9947910 ZZJDEBHBJFNHBW-UHFFFAOYSA-N 449.419 4.157 5 20 IIBD C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)COc1ccc([N+](=O)[O-])cc1)OCCO3 10366495 ZHZDKOSYXRBFNQ-MRXNPFEDSA-N 438.480 4.160 5 20 IIBD C[C@@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)Nc1ccccc1Cl 10723282 ZEHVWKKDJBRJQO-OAHLLOKOSA-N 434.879 4.379 5 20 IIBD C[C@H](Sc1nnc(NCCc2ccccc2)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1 10776002 LTKWVKYGAIYNQM-ZDUSSCGKSA-N 429.527 4.220 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CC=C(c2c[nH]c3ccccc23)CC1 11074951 ZKMYKYQEWSWSNV-UHFFFAOYSA-N 446.463 4.080 5 20 IIBD COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 14596273 SDUQVKMEGOFHOZ-UHFFFAOYSA-N 439.390 4.465 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1CC(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 19196052 JBLJHAKFCJRNHS-INIZCTEOSA-N 447.451 4.294 5 20 IIBD CCOc1cc(C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)c([N+](=O)[O-])cc1OC 19473232 LVIJHNLVFDAXDH-UHFFFAOYSA-N 433.804 4.063 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1cccs1 21665574 ZFLWKXSNHPCNBW-LLVKDONJSA-N 433.515 4.063 5 20 IIBD C[C@H]1CCCN(c2ccc(C(=O)NCc3ccc(Cn4ccnc4)cc3)cc2[N+](=O)[O-])C1 29027464 IMORRLLIPXYSFX-SFHVURJKSA-N 433.512 4.006 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3F)cc2)cc1[N+](=O)[O-] 64478387 ASJQCTWFYXLDQA-UHFFFAOYSA-N 432.429 4.122 5 20 IIBD CN(C)C(=O)Cc1nc(CSc2nc3ccccc3c3nc4ccccc4n23)cs1 78403116 GVYJXCLRDPWHKG-UHFFFAOYSA-N 433.562 4.415 5 20 IIBD CC[C@H](C)Sc1ccc(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)c(C)c1 109641040 FRWHNIGZRLMPPT-AWEZNQCLSA-N 429.498 4.158 5 20 IIBD CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 116161164 UOGYQOFLMFCWKN-UXHICEINSA-N 437.496 4.468 5 20 IIBD CC(C)(C)c1ccc(N2CCC(Nc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)cc1 301093090 LVJKIPPMALNENL-UHFFFAOYSA-N 431.558 4.377 5 20 IIBD O=[N+]([O-])c1cnc(N[C@H]2CCCc3c2cnn3Cc2ccccc2)c(Br)c1 301514357 DXCLHECRJGAVJX-KRWDZBQOSA-N 428.290 4.487 5 20 IIBD CC(C)(O)c1ccc(CNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])cc1 302345154 CGCDFOWALLARST-UHFFFAOYSA-N 441.509 4.235 5 20 IIBD O=C(Nc1cc(Br)ccc1I)c1cccc([N+](=O)[O-])c1 312485281 XJASWYVLIULHDD-UHFFFAOYSA-N 447.026 4.214 5 20 IIBD Cc1ccc(CN2CCCC2)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 427496129 TWFYUGQLHYLHFR-UHFFFAOYSA-N 432.318 4.443 5 20 IIBD CCOc1cc(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])ccc1OC(F)F 430062002 ZCTDNPQBOOPTGS-UHFFFAOYSA-N 445.216 4.287 5 20 IIBD CC[C@@H](CNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1)Oc1cccc(C(F)(F)F)c1 430461793 ZXOIYHYMJJHDLB-AWEZNQCLSA-N 442.390 4.218 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3ccc(OC(C)C)cc3F)CC2)ccc1[N+](=O)[O-] 432031701 KGIULKZKYFMPLL-UHFFFAOYSA-N 446.479 4.274 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1F 432343303 UKHREMWVNYCHPH-UHFFFAOYSA-N 437.177 4.282 5 20 IIBD Cc1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)nc1-c1ccccc1 433170725 YYYNPRXKKLSMMR-UHFFFAOYSA-N 438.387 4.180 5 20 IIBD O=C(Nc1ccc(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1)c1cccnc1 438024805 UHJYUWHNVSVPLN-UHFFFAOYSA-N 445.479 4.116 5 20 IIBD Cc1csc(-c2ccc(NC(=O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)cc2)n1 438652892 CZRMMTNCPYACKU-UHFFFAOYSA-N 438.509 4.402 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C 440084726 XSFNQDZQRJXXAA-GOSISDBHSA-N 435.427 4.114 5 20 IIBD Cc1cc(S(=O)(=O)N(Cc2csc(Br)c2)C2CC2)ccc1[N+](=O)[O-] 443733527 OIEYBXDLPOFLCZ-UHFFFAOYSA-N 431.333 4.081 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1 443945794 KGARHXRDJQDIBF-LJQANCHMSA-N 432.908 4.060 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCc1nc(-c2ccc(Oc3ccccc3F)c(F)c2)no1 445235494 RUHNHROIHOZGCU-UHFFFAOYSA-N 427.367 4.463 5 20 IIBD CCN(CC)C(=O)COc1ccc(NC(=O)CCc2cccc([N+](=O)[O-])c2)cc1Cl 445512478 NACOLUFAHKEMOI-UHFFFAOYSA-N 433.892 4.067 5 20 IIBD CCOCCOc1cc(C)ccc1CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 445947366 UCKCLQRVWXIPDZ-UHFFFAOYSA-N 444.531 4.195 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N(C2CC2)[C@@H]2CCc3ccccc32)c(C(F)(F)F)c1 447037999 CUXDXVRAIYHCDF-QGZVFWFLSA-N 426.416 4.454 5 20 IIBD O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 448525438 QSFXLTQOJINUEX-UHFFFAOYSA-N 426.370 4.102 5 20 IIBD Cc1ccccc1[C@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@H](C)CO1 460409707 XJDOKSSAGCWNHS-KBMIEXCESA-N 426.516 4.452 5 20 IIBD Cc1c(O)nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc1-c1ccccc1 460431594 WFWAQTIQLWWMBQ-UHFFFAOYSA-N 430.873 4.450 5 20 IIBD C[C@@H]1[C@H](C(F)(F)F)CCCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCOC1 461577494 MNRGMEGETDSOLU-CKEIUWERSA-N 439.438 4.057 5 20 IIBD O=C(NC[C@H]1CCN(c2ccccc2F)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 462371567 QOSXYZFTNIEHIK-CQSZACIVSA-N 426.473 4.114 5 20 IIBD COc1ccc2c(c1)CCC[C@H]2CNC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] 463555211 PUPCBZHWUWFZOO-ZDUSSCGKSA-N 436.411 4.063 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C[C@@H]1C[C@H]2C=C[C@H]1C2)C1CCN(C)CC1 464685540 BTLAKHJYKVRULQ-OWSLCNJRSA-N 447.963 4.151 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccccc1OCC(=O)Nc1cccnc1 466237584 ADZJSQSVOGBZIY-UHFFFAOYSA-N 434.452 4.185 5 20 IIBD O=C(N[C@@H]1CCc2n[nH]cc2C1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 467637665 CMTRMRQUQOKJTF-OAHLLOKOSA-N 428.901 4.410 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCN(C(=O)c2cc3sccc3s2)CC1 470127795 FLEPWSQTIQOYPV-UHFFFAOYSA-N 434.474 4.000 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)OC(C)C 471568113 VNHDRLWYZWIIRX-JOCHJYFZSA-N 427.501 4.100 5 20 IIBD Cc1cc(N2CCC(C(=O)Nc3ccc(O)cc3)CC2)c(Br)cc1[N+](=O)[O-] 473508401 AUTKWJKKEMSLOW-UHFFFAOYSA-N 434.290 4.226 5 20 IIBD C[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(Br)cn1 474761371 ZPKXUVWGLXGIRN-VIFPVBQESA-N 447.211 4.332 5 20 IIBD COC(=O)c1csc(-c2cccc(CNc3nc(-c4ccc([N+](=O)[O-])cc4)no3)c2)n1 477808441 KREVKMJRWJKRBH-UHFFFAOYSA-N 437.437 4.167 5 20 IIBD Cc1cc(Cl)cc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)c1 478754412 JMZWYISLLPWRLC-UHFFFAOYSA-N 437.886 4.098 5 20 IIBD CCCCNC(=O)c1ccc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 478827531 GWVWKGNIYPKPNM-UHFFFAOYSA-N 441.531 4.001 5 20 IIBD CCOc1ccc(-n2c(Sc3ccc(F)cc3[N+](=O)[O-])nnc2-c2cnccn2)cc1 481823451 KFXCSDBJESONAS-UHFFFAOYSA-N 438.444 4.322 5 20 IIBD CCc1cc(Br)cc2sc(NC(=O)CCn3cc([N+](=O)[O-])nc3C)nc12 482279830 WTFGUMIHJVXQFN-UHFFFAOYSA-N 438.307 4.063 5 20 IIBD Cc1c([C@@H](C)NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)oc2ccccc12 484392274 UURQNWHDCNGDOT-LLVKDONJSA-N 433.367 4.067 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(-c3ccccn3)cc2)ccc1[N+](=O)[O-] 485145452 LPNNCXFOBMMRII-QFIPXVFZSA-N 430.464 4.209 5 20 IIBD CSc1cccc(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)c1[N+](=O)[O-] 486231397 VLTSVMHBIFDRLS-GFCCVEGCSA-N 436.331 4.088 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])NCc1cccc(NC(=O)Nc2ccccc2)c1 486601262 BTKCEUSSTXRMJD-UHFFFAOYSA-N 434.452 4.324 5 20 IIBD C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCN(Cc2ccccc2)C1 487376629 WWQYSCFYINTDMU-VQIMIIECSA-N 436.537 4.359 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)N1CCc2sccc2[C@@H]1c1ccccc1 487866847 BOQRJSVPUOUNKO-QHCPKHFHSA-N 445.500 4.146 5 20 IIBD C[C@H](Sc1nnc(Cc2c(F)cccc2Cl)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 488847969 CPXXMWFXNHFOPK-JTQLQIEISA-N 436.852 4.480 5 20 IIBD CC(C)S(=O)(=O)Cc1ccc(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 498078819 BCVONISDVHJIPU-CYBMUJFWSA-N 439.921 4.011 5 20 IIBD COc1ccc([C@H]2C[C@H](NC(=O)c3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])C2)cc1F 501294800 MYKFRLIBTCYXIG-HAQNSBGRSA-N 440.374 4.029 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NCCc1cccc(O)c1 502069634 GTNKAPCBAKFVFS-UHFFFAOYSA-N 442.475 4.055 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC(F)(F)F)cc1 502700040 UEZCSCGWTYSRRX-OAHLLOKOSA-N 446.765 4.181 5 20 IIBD COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 505542834 MHHKKFLCWNUWOW-UHFFFAOYSA-N 432.392 4.128 5 20 IIBD Cc1ccc(C)n1C1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 507341515 OCUOCEXZAMPIDK-UHFFFAOYSA-N 435.322 4.051 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3ccccc3-n3ccnc3)cc2[N+](=O)[O-])C1 509077387 ASSSZYIYMJPJNT-HDICACEKSA-N 433.512 4.193 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F 511398005 YNWJFWCANJJZCL-RDJZCZTQSA-N 435.402 4.313 5 20 IIBD CC(C)(C)C1CCC(c2cc(NC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)n[nH]2)CC1 513487239 AAGBNECYODZPRJ-UHFFFAOYSA-N 448.545 4.294 5 20 IIBD CC(C)[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 514059748 VJZJSCLSWQPSMU-QFIPXVFZSA-N 425.485 4.093 5 20 IIBD Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 514935338 CKVFOBGSIRALCF-UHFFFAOYSA-N 425.466 4.303 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 515046519 SXVAEIINWMZLDA-UHFFFAOYSA-N 430.936 4.097 5 20 IIBD COc1ccc(CCCNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 515868896 OQWZMDMVVABUOS-UHFFFAOYSA-N 428.432 4.463 5 20 IIBD COc1ccc(C2=NN(C(=O)CSc3ncccc3[N+](=O)[O-])[C@@H](c3ccco3)C2)cc1 517803837 UDEZGBPHTUCDMS-GOSISDBHSA-N 438.465 4.061 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1cc(Br)ccc1F 518927110 FTBGIJHHXIVDLI-NSHDSACASA-N 427.295 4.336 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C 520699992 RQXVNNHIDDCMFI-OAHLLOKOSA-N 431.514 4.027 5 20 IIBD CC[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccccc1OCC(=O)N1CCCC1 522894335 ABLANMMQDRRZFP-IBGZPJMESA-N 445.903 4.131 5 20 IIBD Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])cc1C 523365913 IDTTUPFANKBPRW-UHFFFAOYSA-N 444.495 4.368 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2oc3ccccc3c2c1 530324845 UOXNKBHPQYJTRP-UHFFFAOYSA-N 426.406 4.082 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H]1Cn1cnc2ccccc21 534459737 OZZCNJIQKCXPNF-HNNXBMFYSA-N 429.274 4.012 5 20 IIBD Cc1ccc(CNC(=O)c2cccc(CNC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)c2)cc1 534983830 DMKOOXOBSVHJKC-UHFFFAOYSA-N 442.475 4.245 5 20 IIBD CCn1cc(S(=O)(=O)Nc2ccc([C@H](C)Sc3ccccc3)cc2)c([N+](=O)[O-])n1 535233792 NELQTAVVZVZZCC-AWEZNQCLSA-N 432.527 4.465 5 20 IIBD Cc1ccccc1NC(=O)Cc1nc(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)cs1 537558304 ZEHNTXDKTVARKO-UHFFFAOYSA-N 433.493 4.453 5 20 IIBD COc1cc(CN2CC[C@@H](C)[C@H](n3ccnc3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 537724766 KRRVPPKXDLOMDK-XMSQKQJNSA-N 436.512 4.462 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 539372687 GMOVWCRFSOQHAP-CALCHBBNSA-N 435.590 4.057 5 20 IIBD O=C1CCCN1[C@@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 539834172 GVVZMKBUCDVPQP-OAHLLOKOSA-N 448.317 4.204 5 20 IIBD O=C(N=c1nc(Cc2ccc(F)cc2F)[nH]s1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 541648509 JYWVMMUPULNLAY-UHFFFAOYSA-N 444.341 4.008 5 20 IIBD COc1ccc(CSCC(=O)N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] 542677990 TYIRZQBJUBEZEK-FXAWDEMLSA-N 434.489 4.012 5 20 IIBD CC(C)OC[C@H]1CN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCO1 545327283 XJWOYEWKTXPGHJ-WIYYLYMNSA-N 447.919 4.054 5 20 IIBD Cc1cc(Cc2noc(C3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)n2)no1 545727269 MAMZZELUBPOKIZ-UHFFFAOYSA-N 437.378 4.268 5 20 IIBD COc1cc(Cc2noc(-c3cnc(Cc4ccc(F)cc4)s3)n2)ccc1[N+](=O)[O-] 547196948 XQHMZTMLGGQEEW-UHFFFAOYSA-N 426.429 4.431 5 20 IIBD O=C(N[C@H](c1cc(F)cc(Br)c1)C1CC1)c1cc2c(cc1[N+](=O)[O-])OCO2 547883358 YUCHWBBPCBCBMF-KRWDZBQOSA-N 437.221 4.106 5 20 IIBD CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 549453600 GVNKQGLDMYRMJT-UHFFFAOYSA-N 441.561 4.242 5 20 IIBD COCC[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(Cl)c(Cl)c1 551449268 ULBWOPFHNHPJAO-MRXNPFEDSA-N 440.283 4.043 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCC(F)(c4cccnc4)CC3)cc2[N+](=O)[O-])CC1 551666191 QTUXDHIVKWMKFO-UHFFFAOYSA-N 426.492 4.327 5 20 IIBD COc1ccc([C@@H](CN2CCCC2)NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 560699501 DMGLZKYIVIJTHY-HRAATJIYSA-N 429.542 4.037 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2nnn(Cc3ccccc3F)c2C)cc1[N+](=O)[O-] 566409754 ANZUPLOJLHQVKD-UHFFFAOYSA-N 448.252 4.005 5 20 IIBD CCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])s3)c2)c1 569466624 FNDUWIUZSHZQLT-UHFFFAOYSA-N 439.449 4.338 5 20 IIBD COc1cc(CNc2cccc3c2OCC(=O)N3)ccc1OCc1ccc([N+](=O)[O-])cc1 570011544 GZAGKZUGKKCJDC-UHFFFAOYSA-N 435.436 4.125 5 20 IIBD O=C(c1cc(NCCCc2nc(-c3ccc(F)cc3)no2)ccc1[N+](=O)[O-])N1CCCC1 570077075 UVCJFTCAGVBZDO-UHFFFAOYSA-N 439.447 4.065 5 20 IIBD Cn1cc(-c2ccc3c(c2)N(CC2CN(Cc4ccccc4[N+](=O)[O-])C2)CC3(C)C)cn1 571062365 RFWLKAPMOONOLI-UHFFFAOYSA-N 431.540 4.225 5 20 IIBD O=C(Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2)c1c[nH]c2cc([N+](=O)[O-])ccc12 571828339 QDJPXHUXZIJNLM-UHFFFAOYSA-N 432.408 4.032 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)c1 576415071 VKVMQJQESUSIHX-MRXNPFEDSA-N 427.505 4.179 5 20 IIBD COCC1(CCNc2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccccc2OC)CCC1 583156092 HDGLZFOYNBQXIC-UHFFFAOYSA-N 449.529 4.023 5 20 IIBD COc1cccc(-c2nc(CN3CCOc4ccc([N+](=O)[O-])cc4C3)cs2)c1OC 583593779 QQGRBJWWLDXSRM-UHFFFAOYSA-N 427.482 4.130 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)Nc1ccccc1OC(F)F)c1ccccc1[N+](=O)[O-] 584251406 OPIVHVKMTGMLNU-HNNXBMFYSA-N 437.399 4.401 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1cnc(COC)s1 588818585 XMXPIGFOYUOBGT-UHFFFAOYSA-N 447.494 4.355 5 20 IIBD CN(CC(=O)Nc1ccc(Br)cn1)C(=O)c1cc2ccccc2c2cccnc12 589060161 VTQYWFBOODMZGX-UHFFFAOYSA-N 449.308 4.256 5 20 IIBD Cc1ccc(C)c(OCc2nnc(S[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])o2)c1 594640881 OXOZNDSICVWQGK-CQSZACIVSA-N 428.470 4.293 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ncc(Cc2cc(F)cc(F)c2)s1 602093148 IZUCNFBCCRWVEH-UHFFFAOYSA-N 425.438 4.030 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H](NC(=O)c1ccccc1Br)C(C)C 603501359 JTNOEPDXRITKJT-SFHVURJKSA-N 448.317 4.367 5 20 IIBD COc1ccc(CSCC(=O)N(C)Cc2ccccc2Br)cc1[N+](=O)[O-] 603565035 GGQCPTNOLSRHGW-UHFFFAOYSA-N 439.331 4.258 5 20 IIBD CCOc1ccc(NC(=O)CNc2cccc(C(=O)N(C)c3ccccc3)c2)c([N+](=O)[O-])c1 604008933 AWVSGAYFKOXPBW-UHFFFAOYSA-N 448.479 4.321 5 20 IIBD Cc1nc(CNC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)nc2ccccc12 608809075 OUOVYPAYDXAATQ-HOTGVXAUSA-N 433.512 4.259 5 20 IIBD COCCN1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1 609269141 LXOVEQTTWXUTJF-INIZCTEOSA-N 449.960 4.240 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2C(=O)N2CCC3(CC2)CC3)c1 609476968 NQKBDOPFHBCTIT-UHFFFAOYSA-N 443.525 4.029 5 20 IIBD CC(C)(NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1nccs1 609860912 AVQDXRQFKBNNNQ-UHFFFAOYSA-N 426.285 4.209 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccc(Cl)s2)CC1 610104049 CANLQDUTXVPESX-UHFFFAOYSA-N 436.965 4.160 5 20 IIBD C[C@H](CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(C(F)(F)F)cc1 610118491 NOZHFASDJUINCF-OAHLLOKOSA-N 449.429 4.092 5 20 IIBD COc1cc(OCC(=O)Nc2cc(Br)c(F)cc2Cl)ccc1[N+](=O)[O-] 610578655 STMHZEKTWXAEEQ-UHFFFAOYSA-N 433.617 4.176 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]1c1ccccc1Br 610676275 QQCJIESJTKKPMG-KRWDZBQOSA-N 434.290 4.142 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 611529763 FTFOOLNTQNKICG-FQEVSTJZSA-N 440.887 4.264 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(Oc2cccc(C)c2C)nc1 619467710 XWFBNMYTSKHECJ-UHFFFAOYSA-N 429.454 4.208 5 20 IIBD COc1ccc2c(c1)C(=O)N(C)[C@@H](c1ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c1)N2 726605838 XGLAKLHQHUTMOY-QHCPKHFHSA-N 449.463 4.387 5 20 IIBD O=C(COC(=O)CCc1cccc(OC2CCCC2)c1)Nc1ccc(F)c([N+](=O)[O-])c1 727889415 FCNGHXDXJLMBJR-UHFFFAOYSA-N 430.432 4.170 5 20 IIBD O=C(COc1ccc(-c2noc([C@H]3CCCO3)n2)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 728911805 LNXXMDAVFYHTSB-QGZVFWFLSA-N 444.831 4.167 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)[C@H](NC(=O)c1ccco1)c1ccccc1 729116436 QFXYUAWLNSFICE-OAQYLSRUSA-N 438.436 4.190 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)cccc1[N+](=O)[O-] 729780586 JPGJMYMAGGEYFS-ZDUSSCGKSA-N 443.843 4.325 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(-c2nc3c(F)cccc3[nH]2)cc1 730762120 NPHNDLMPNJKHLX-UHFFFAOYSA-N 430.399 4.266 5 20 IIBD Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])c1 731620935 VCASOAWUEYIKQG-UHFFFAOYSA-N 436.468 4.216 5 20 IIBD CCS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1Cl 731976425 XXYSMFFKYQSHFY-SNVBAGLBSA-N 431.297 4.186 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)O[C@H](Cc1ccc(Cl)cc1)C(F)(F)F 733948716 XXPIPLQWDAICIK-MRXNPFEDSA-N 444.793 4.085 5 20 IIBD O=C(CCNC(=O)c1ccc2ccccc2c1)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 735443718 RPOFQIAYPUJIPO-UHFFFAOYSA-N 445.431 4.266 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)cc1OC 736014984 BVZFIIAVRCEEKH-UHFFFAOYSA-N 429.429 4.500 5 20 IIBD CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 741992606 HZLSUFAAWMULQG-NRFANRHFSA-N 437.883 4.252 5 20 IIBD CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 743068954 RIMTXTFGEWAGGT-UHFFFAOYSA-N 429.763 4.242 5 20 IIBD Cc1nc(-c2cccc(C(=O)OCC3CCN(c4ccc([N+](=O)[O-])cn4)CC3)c2)cs1 744090275 RLLNGDLXVKVHHH-UHFFFAOYSA-N 438.509 4.495 5 20 IIBD Cc1ccc(CCN(Cc2ccco2)C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 744375151 NFOKRKLWEGYPDV-UHFFFAOYSA-N 449.507 4.218 5 20 IIBD CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 745753107 CPFPRXPBZZJUBF-UHFFFAOYSA-N 448.838 4.253 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NC[C@@H]1COc2ccccc2C1 746988971 APNCNZPRWQEWPP-MRXNPFEDSA-N 439.493 4.059 5 20 IIBD COC(=O)c1ccc([C@@H](OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C(F)(F)F)cc1 747210259 MJKGPXIFBKNOPU-OAHLLOKOSA-N 442.302 4.058 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Oc1ccc(-c2cscn2)cc1 749294173 FIXVXTJGXMRIQU-UHFFFAOYSA-N 441.284 4.249 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccnc(-c2ccc(Br)cc2)n1 749993471 CRCNUOGSYZRAQD-UHFFFAOYSA-N 444.241 4.180 5 20 IIBD CNC(=O)c1cc(Oc2cc(C)ccc2NC(=O)c2cccc(Cl)c2[N+](=O)[O-])ccn1 750207571 VKADXXHZHHXWHU-UHFFFAOYSA-N 440.843 4.356 5 20 IIBD Cc1nc(-c2ccc(C)c(NC(=O)c3cc(F)cc([N+](=O)[O-])c3Br)c2)n[nH]1 754978734 VFSKZMWQDFLKHQ-UHFFFAOYSA-N 434.225 4.151 5 20 IIBD O=C(CN(Cc1ccccc1)C[C@H](O)c1cccs1)Nc1ccc(Cl)cc1[N+](=O)[O-] 756057143 OMZONDKLAJENAX-IBGZPJMESA-N 445.928 4.484 5 20 IIBD Cc1ncc(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(Cl)c1Cl 758498978 HYIQIMOOOURHDV-QMMMGPOBSA-N 432.647 4.442 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)ccc1Cl 758807090 YBYOCSICEXTMMM-SECBINFHSA-N 446.765 4.460 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCCc2ccc(Cl)nc2)c([N+](=O)[O-])c1 760480008 GBIOODICYQZPBH-UHFFFAOYSA-N 439.855 4.315 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccc(Cl)cc1Br 761278945 AVRLNNFHIKIWLC-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD C[C@@H]1Oc2ccc(C(=O)C3CCN(Cc4ccc([N+](=O)[O-])c(Cl)c4)CC3)cc2NC1=O 761512859 YKMMEYJFWIVPAF-ZDUSSCGKSA-N 443.887 4.063 5 20 IIBD CSc1ccc(C(=O)NC[C@H](O)c2cccc(OCc3ccccc3)c2)cc1[N+](=O)[O-] 761609620 VOQLUPGTLYVXDV-NRFANRHFSA-N 438.505 4.359 5 20 IIBD Cn1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Br)c2ccc(Cl)cc2)n1 762488755 YGZGCISNIBBKII-QGZVFWFLSA-N 449.692 4.264 5 20 IIBD CS(=O)(=O)CC1(COC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CCC1 763797926 RNKQUFSNTJSTRU-UHFFFAOYSA-N 427.544 4.001 5 20 IIBD O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 765619495 OGOLROTWPSYIHF-UHFFFAOYSA-N 433.386 4.219 5 20 IIBD C[C@H]1CCC[C@H](OCCCCCC(=O)NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 766616130 ZFFVIVUXRKUAKS-GJZGRUSLSA-N 446.953 4.209 5 20 IIBD O=C(NC[C@@H](O)c1ccncc1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 768326054 XVDZINBJFDMTLR-GOSISDBHSA-N 429.885 4.258 5 20 IIBD Cc1ccccc1[C@H](C)NC(=O)[C@H](C)OC(=O)c1cc(Br)cc([N+](=O)[O-])c1 770157436 OGFFWIITORZRJM-STQMWFEESA-N 435.274 4.088 5 20 IIBD COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 770325863 SPTPILFCJODVQZ-JTQLQIEISA-N 439.287 4.263 5 20 IIBD Cc1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n([C@H]2CCN(Cc3ccccc3)C2)n1 772267438 CAHJUTRIPSKIES-SFHVURJKSA-N 439.903 4.452 5 20 IIBD CCn1nccc1C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 775019635 DNNKBJWYAJBGNB-GOSISDBHSA-N 428.832 4.001 5 20 IIBD CCn1c(SC[C@H](O)c2ccc([N+](=O)[O-])cc2)nc2sc3c(c2c1=O)CCCC3 776272832 YCJMBWAXVUIIPD-HNNXBMFYSA-N 431.539 4.091 5 20 IIBD O=C(O[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cc(F)cc([N+](=O)[O-])c1 776384208 DYWQCMNHNRBLOC-KRWDZBQOSA-N 440.349 4.101 5 20 IIBD CC(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c(F)c1 777200267 IBWPOTPBEQKDIP-SNVBAGLBSA-N 442.321 4.139 5 20 IIBD C[C@@H](OC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCCCC2)cc1 778169955 OJFPNNZKZUPYQZ-OAHLLOKOSA-N 447.438 4.247 5 20 IIBD COc1cc(C(=O)OCc2cc(F)cc(F)c2)c([N+](=O)[O-])cc1OCc1cscn1 782263178 ZQARAXIWHAEVFD-UHFFFAOYSA-N 436.392 4.274 5 20 IIBD Cc1ccc(CN2CCOCC2)cc1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 786196386 FZVLDLPQZLHUGL-UHFFFAOYSA-N 448.317 4.059 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)OCC(=O)Nc2ccc(OCc3ccccc3)cc2)c1F 787940334 SAHODCLPPXFIDN-UHFFFAOYSA-N 438.411 4.417 5 20 IIBD COc1ccc(-c2nnc(SCc3ccc(Br)c([N+](=O)[O-])c3)n2C)cc1 788099875 OKZSUYAHIOMWOU-UHFFFAOYSA-N 435.303 4.454 5 20 IIBD COc1ccc(-c2nc(NC(=O)c3cc([N+](=O)[O-])c(N(C)C)cc3F)sc2C)cc1 791196555 HLGYSGGNVMHRAE-UHFFFAOYSA-N 430.461 4.493 5 20 IIBD Cc1cc(C)n(-c2ccc(-c3noc(-c4cc([N+](=O)[O-])ccc4N4CCCCC4)n3)cn2)n1 795729710 QJWDQQATCXLTTD-UHFFFAOYSA-N 445.483 4.500 5 20 IIBD CCc1ccc(OS(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)OC)c([N+](=O)[O-])c1 795841067 ATIHCHTVHCYYNE-UHFFFAOYSA-N 434.253 4.018 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1 796081426 MBKXVJAKPONGRE-FQEVSTJZSA-N 446.912 4.173 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1I 798018992 HNYVFXBILCMXQV-SWLSCSKDSA-N 442.640 4.139 5 20 IIBD Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C(F)(F)F)CC[C@H]1C 799796786 SMQOTOZZRIEHEI-ZJUUUORDSA-N 445.257 4.017 5 20 IIBD Cc1cc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)cc([N+](=O)[O-])c1 800375889 GYMBOSFJAHKPJV-VQTJNVASSA-N 425.485 4.036 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 800631234 JTNPHRIVGJACMK-UHFFFAOYSA-N 425.363 4.075 5 20 IIBD COc1c([N+](=O)[O-])cc(NCCC2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1Br 801674933 ZHFASAUDTNOCPP-NXEZZACHSA-N 432.271 4.280 5 20 IIBD O=C(OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Oc1ccncc1 802077549 ARONUFAZNAUBED-QGZVFWFLSA-N 447.447 4.244 5 20 IIBD O=C(N=c1cc[nH]cc1[N+](=O)[O-])N[C@H](c1c[nH]c2ccccc12)C(Cl)(Cl)Cl 806380581 YXOKVVIGHLOHJF-CQSZACIVSA-N 428.663 4.126 5 20 IIBD CN(C[C@@H](O)COc1ccccc1C(F)(F)F)C(=O)Nc1cccc([N+](=O)[O-])c1Cl 809916561 OEKIHVSTGSQVGW-LLVKDONJSA-N 447.797 4.171 5 20 IIBD Cc1noc2nc(C(C)C)cc(C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c12 813363967 AKFUZWQAMBQZCT-LLVKDONJSA-N 446.847 4.400 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])c2nsnc2c1)c1ccc(C(F)(F)F)nc1Cl 817874568 DZGURUMAJHCREW-LURJTMIESA-N 431.783 4.158 5 20 IIBD CSCC[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)O[C@H](C)c1ccccc1 847413978 GSKJFZNMSDKSIB-CXAGYDPISA-N 436.917 4.404 5 20 IIBD CC(C)[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)N1CCCC[C@@H]1C 878472286 FZYMEXIVVAFQHO-BVZFJXPGSA-N 434.536 4.124 5 20 IIBD C/C=C/C=C/C(=O)O[C@H](c1ccccc1)[C@@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 879392476 VRRSMFGGEXCIKK-CXSRNXIESA-N 444.509 4.021 5 20 IIBD COc1ccc(-c2nc(Cc3noc(-c4ccc([N+](=O)[O-])c(-n5ccnc5)c4)n3)co2)cc1 904329572 RBFXZFNQMBTQLJ-UHFFFAOYSA-N 444.407 4.085 5 20 IIBD COc1ccc([C@H]2CCCN2c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])cc1 912727794 GZQOPCXBNKSFFL-OAHLLOKOSA-N 430.404 4.238 5 20 IIBD COc1ccc(CSCC(=O)O[C@@H](C)C(=O)Nc2c(C)cccc2C)cc1[N+](=O)[O-] 914916106 KRBUZVSQGCIZRF-HNNXBMFYSA-N 432.498 4.024 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2ccc3nc(O)[nH]c3c2)c2ccccc2)c([N+](=O)[O-])c1 914926878 FXDPSXDACXLSBN-HXUWFJFHSA-N 446.419 4.022 5 20 IIBD CCCOc1cc(NC(=O)c2cccc(N3CCOC3=O)c2)c([N+](=O)[O-])cc1OCCC 915833764 GFPBTNFQODHAAS-UHFFFAOYSA-N 443.456 4.381 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3nccs3)cc2)cc1Br 918151084 VUMVIRCOIIGCMM-UHFFFAOYSA-N 440.300 4.282 5 20 IIBD CC(C)(C)c1ccc([C@H]2CCCN2C(=O)COC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 918810980 VLVXLTJTJMVSKH-OAQYLSRUSA-N 440.496 4.178 5 20 IIBD Cc1cc(C)c(OC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c([N+](=O)[O-])c1 919655984 AUMXUTQVSJMQIV-UHFFFAOYSA-N 435.461 4.256 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 919864431 DEGAEBDTQMCFFD-TWGQIWQCSA-N 434.414 4.491 5 20 IIBD CCN(CC)c1ccc(N(Cc2cccs2)C(=O)c2c([N+](=O)[O-])c(C)nn2C)cc1 919998282 FAHZRZYCOYVCOG-UHFFFAOYSA-N 427.530 4.391 5 20 IIBD C[C@@H](OC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1 920543790 AMCUOXUGGGLZGI-HZPDHXFCSA-N 434.452 4.347 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(F)c(NC(=O)OC(C)(C)C)c1 1116045836 GXQZWJURAYIYBF-UHFFFAOYSA-N 425.438 4.190 5 20 IIBD C[C@H]1CCCN(C(=O)CCNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 1262820207 VOWAKGXDYIJGLG-INIZCTEOSA-N 427.526 4.124 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CNC[C@@]2(O)CCN(Cc3ccccc3)C2)o1 1319053011 GHBHNIGXBHNLJT-QHCPKHFHSA-N 441.915 4.235 5 20 IIBD CCn1nc(-c2nnc(-c3ccc(C(F)(F)F)cc3[N+](=O)[O-])o2)c2ccccc2c1=O 1326097704 ZHWDKSCYDMSQJW-UHFFFAOYSA-N 431.330 4.060 5 20 IIBD COC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 1339397808 ZHJDAKKJLDXBAR-CABCVRRESA-N 448.859 4.121 5 20 IIBD COC(=O)N1CCCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC1 1342714014 SBZMCWPISQVGHG-UHFFFAOYSA-N 449.916 4.314 5 20 IIBD CSCC[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)OCc1csc(C)c1 1349801030 AJARBJFPOMLHKU-HNNXBMFYSA-N 442.946 4.213 5 20 IIBD CC(C)O[C@@H](C)C(=O)NC1(c2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)cc2)CCC1 1785793508 AHDWRYRDFPARIG-KRWDZBQOSA-N 439.512 4.085 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)c1cccs1 1802850805 AXTDKZZKSCRPFW-LVQVYYBASA-N 445.516 4.159 5 20 IIBD Cc1scc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc([N+](=O)[O-])o3)n[nH]2)c1C 1814310319 YCFGXSKCGNDMDC-OAHLLOKOSA-N 443.485 4.209 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2)[nH]n1 1815538823 YRSFQRSUEXWERO-NRFANRHFSA-N 447.495 4.257 5 20 IIBD CCC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)n[nH]2)CCC1 1821165805 IMWMPQLDTJWLMQ-SFHVURJKSA-N 443.479 4.343 5 20 IIBD CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)CCCCC1 1831790703 OCULXNHSXCIHQN-GOSISDBHSA-N 431.533 4.392 5 20 IIBD CCCn1c(SCC(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nc2ccccc21 9249316 BBXWFQVZPSXZMZ-AWEZNQCLSA-N 442.497 4.017 5 20 IIBD O=C(CCc1nc2ccccc2s1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 9891390 NESXZAGXCRDETR-UHFFFAOYSA-N 438.431 4.384 5 20 IIBD Cc1ccc(NC(=O)Cc2nc(COC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cs2)cc1 22139628 HZBUWELOWJJZPT-IZZDOVSWSA-N 437.477 4.298 5 20 IIBD O=C(NCCC(=O)N(Cc1cccs1)Cc1cccs1)c1ccc([N+](=O)[O-])cc1 24464640 KIBHPDLWVNRFSR-UHFFFAOYSA-N 429.523 4.067 5 20 IIBD COc1ccc(Cc2nnc(SCCC(=O)Nc3ccc([N+](=O)[O-])cc3C)o2)cc1 26354772 FLMGNLTUBIJXHF-UHFFFAOYSA-N 428.470 4.007 5 20 IIBD O=C(CCSc1nnc(NCCc2ccccc2)s1)Nc1ccc([N+](=O)[O-])cc1 26415552 QSFYRDRQDNBFGD-UHFFFAOYSA-N 429.527 4.222 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(NC(=O)Nc2ccccc2F)cc1 28798405 WJDKHWCABLYQGI-UHFFFAOYSA-N 444.444 4.487 5 20 IIBD C[C@@H]1CCC[C@H](N(C)C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 29998035 FJJFMSIGIXQUST-QAPCUYQASA-N 431.514 4.046 5 20 IIBD CNC(=O)c1ccc(C)c(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c1 31920563 VGRYQGRPFBFROE-UHFFFAOYSA-N 442.522 4.431 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)cc1OC 60019290 UKLMWIHQHVMZOL-UHFFFAOYSA-N 448.903 4.134 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)cc1C 60506433 LJKMGVLJPGZPCZ-KRWDZBQOSA-N 441.509 4.225 5 20 IIBD Cc1c(NC(=O)CCN[C@@H](C(=O)Nc2ccccc2)c2ccccc2)cccc1[N+](=O)[O-] 63520694 GUNBSAFTQNCVKG-HSZRJFAPSA-N 432.480 4.201 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cccc(C(=O)Nc2ccccn2)c1 72062706 FLEAPELRICAQEE-UHFFFAOYSA-N 448.482 4.441 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-])c1ccccn1 108757464 ATUWXXAVHDDBJU-GHTZIAJQSA-N 445.523 4.167 5 20 IIBD COc1cc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c([N+](=O)[O-])cc1OC 109912095 WIGAMYBGNQNEKX-UHFFFAOYSA-N 427.438 4.178 5 20 IIBD COc1cc(CNC[C@H]2CCCO[C@H]2C(C)(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F 237280289 ZERLYPDWNYLODA-FZKQIMNGSA-N 434.455 4.475 5 20 IIBD Cc1ccc(C(=O)N2CCC(NCc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)cc1 237844599 KSXABLBBZZDSNR-UHFFFAOYSA-N 436.537 4.421 5 20 IIBD Cc1ccc(CCC2CCN(c3ccc(C(=O)N4CCOCC4)cc3[N+](=O)[O-])CC2)cc1 247882575 RROYFXPPEUJICC-UHFFFAOYSA-N 437.540 4.225 5 20 IIBD CC1CCN([C@H](CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)c2cccs2)CC1 301339494 FGQNHEFDPLCDAW-LJQANCHMSA-N 430.530 4.498 5 20 IIBD Cc1c(Oc2ccc(Br)cc2[N+](=O)[O-])nn2c(C(F)(F)F)nnc2c1C 301946575 CIWGUCPLWXLSNX-UHFFFAOYSA-N 432.156 4.223 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NC2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 301946755 HFQUGRWUBPMCQE-HOTGVXAUSA-N 433.530 4.178 5 20 IIBD COc1ccc(CSCC(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)cc1[N+](=O)[O-] 409560109 BBBLHATYHLOKNH-PGRDOPGGSA-N 430.526 4.121 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1OC1CCCC1)c1cccc([N+](=O)[O-])c1 426658075 VDNSJHBCUYGOIW-CYBMUJFWSA-N 431.876 4.386 5 20 IIBD C[C@@H]1CCCCN1Cc1ccc(CNC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)cc1 427910741 YBIRSYFBQYFOIH-GOSISDBHSA-N 448.523 4.213 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC(c2ncccc2Cl)CC1 428427965 UCWCXDBKFUPBTN-UHFFFAOYSA-N 428.920 4.266 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 432024131 JISQJKNLMKXEEZ-MRXNPFEDSA-N 444.557 4.000 5 20 IIBD O=C(Nc1nnc([C@@H]2CCCc3ccccc32)s1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 432636558 YOIOFALTAXYOHG-OAHLLOKOSA-N 447.476 4.421 5 20 IIBD CC[C@@H](C)c1ncc(NC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cn1 434517084 KVOPWKGBJZMNEX-PBHICJAKSA-N 429.477 4.103 5 20 IIBD COc1ccccc1-c1noc([C@@H](C)NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1 437988166 AGMXYABTPNYMPN-CQSZACIVSA-N 437.456 4.089 5 20 IIBD COc1ccc(Oc2ccc(NC(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)cn2)cc1 438445369 LDSRFLQNBVBVGG-UHFFFAOYSA-N 449.467 4.145 5 20 IIBD O=C(Nc1cccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1)C1CC1 438791289 FWCCJCLWOAXXNG-UHFFFAOYSA-N 430.269 4.051 5 20 IIBD Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c(C)c1 439119923 RUYZHKJQEWIYKC-HXUWFJFHSA-N 427.526 4.489 5 20 IIBD O=C(Nc1n[nH]c(-c2ccc(Br)cc2F)n1)c1cc2cc([N+](=O)[O-])ccc2o1 439252320 YKLXOYWDOVJSEG-UHFFFAOYSA-N 446.192 4.280 5 20 IIBD COCCCOC1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 442723536 ZJVSSLBPQKDTKE-UHFFFAOYSA-N 430.526 4.404 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1 443972180 MJKFDNIDCOKNSB-OAQYLSRUSA-N 446.507 4.261 5 20 IIBD C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 444713979 IKEMDENOCPVOKU-XOBRGWDASA-N 431.876 4.008 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 444929070 ZRDWVVUQMCVXOZ-SNVBAGLBSA-N 430.408 4.490 5 20 IIBD Cc1c(-c2nc(-c3cnn(-c4cccc(Cl)c4)c3)no2)nnn1-c1cccc([N+](=O)[O-])c1 445649345 IGPWKMGHUHPBLJ-UHFFFAOYSA-N 448.830 4.040 5 20 IIBD COc1ccc([C@@H]2CCCN2c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCOC2)cc1 461577562 MWFXTJIUYDVBGT-VGSWGCGISA-N 449.511 4.240 5 20 IIBD C[C@@H](c1nccs1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 464331108 FDDGJEDFDKCHOQ-INIZCTEOSA-N 438.509 4.363 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCN([C@@H](C)c3nccs3)CC2)cc1OC 464593831 OXZXMUAUJKISHG-IRXDYDNUSA-N 448.589 4.364 5 20 IIBD COc1ccc(-c2ncc(C(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)s2)cc1 464637571 OFKCFISPTDXZNK-UHFFFAOYSA-N 439.493 4.411 5 20 IIBD C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cc2nnc3n2CCCCC3)cc1 467644775 BBZPJJKGHHNMQC-KRWDZBQOSA-N 448.527 4.333 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NCCCCCO 468492288 NPPWNWPMPXHABE-SAPNQHFASA-N 425.510 4.414 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1C(=O)N1CCCCC1 470502262 HOOLBNRKLZUDGH-UHFFFAOYSA-N 433.411 4.383 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 477337169 NRVVPWPCKXETRX-UHFFFAOYSA-N 443.809 4.345 5 20 IIBD Cc1ccc(-c2ccc(Cl)cc2NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)o1 477918860 QAKSBMNFQMCJQT-UHFFFAOYSA-N 434.857 4.472 5 20 IIBD Cc1nc(-c2ccc(Br)cc2)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)n1C 479021542 BUVLCCGAIRGYEG-UHFFFAOYSA-N 447.264 4.387 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])Nc1nnc(-c2cccc(Br)c2)s1 481955501 VVNGYFYFFPCLKW-UHFFFAOYSA-N 434.275 4.198 5 20 IIBD CCc1ccc(C(=O)Nc2ccc(C)cc2Oc2ccnc(C(=O)NC)c2)cc1[N+](=O)[O-] 483110269 BJWOITHTOFKCGY-UHFFFAOYSA-N 434.452 4.265 5 20 IIBD O=C(c1ccc(S(=O)(=O)C2CCCC2)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 486154014 QVBSZBYJYNRAIM-UHFFFAOYSA-N 428.510 4.116 5 20 IIBD O=C(N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1(c2cccc(C(F)(F)F)c2)CCCC1 487093863 ZIWUMNFAFUTOQO-UHFFFAOYSA-N 436.434 4.486 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCCNC(=O)c1cccc(F)c1 487531124 QUKAIPJMWIKDSV-UHFFFAOYSA-N 433.505 4.032 5 20 IIBD C[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 488345315 KAPVHDVQPZYRNF-VQIMIIECSA-N 430.936 4.001 5 20 IIBD COc1ccccc1Cc1nnc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)o1 488799757 KTQJRRQLNQJPKQ-NSHDSACASA-N 448.888 4.350 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(Cl)cc1C(=O)N1[C@@H](C)CCC[C@H]1C 488862376 FCOLVPJBAJQUNO-OKILXGFUSA-N 447.923 4.185 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@H](c3ccccc3)C2)cc1OC 489668164 PUTUDXQXVYUXPJ-ROUUACIJSA-N 428.485 4.085 5 20 IIBD Cc1ccccc1[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2I)C1 504954418 WIKUCXJUFWHENY-ZDUSSCGKSA-N 436.249 4.138 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 507540849 YPRYZDZPKCPIAD-GFCCVEGCSA-N 425.466 4.289 5 20 IIBD CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)C1 508814909 YTOKIGKDLJWBTC-AEFFLSMTSA-N 437.496 4.049 5 20 IIBD CCN(CC)C(=O)c1ccc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1 509874077 QRRSXLUJYUWRLA-UHFFFAOYSA-N 434.290 4.400 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC(F)(F)C1 510783210 MSTVFJKJGSYQFU-JTQLQIEISA-N 438.212 4.063 5 20 IIBD Cc1cc(Cl)ccc1CN1CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 511083379 YRUCWMGGHPTEJZ-MRXNPFEDSA-N 441.919 4.485 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](c1cccc2ccccc12)C(F)(F)F 511811101 UBTJEVKXZCPTJM-BFUOFWGJSA-N 445.397 4.286 5 20 IIBD CCOc1cc(NC(=O)N(Cc2ccco2)C[C@H]2CCCO2)c([N+](=O)[O-])cc1OCC 512788042 NJCLRXKSJKMSII-MRXNPFEDSA-N 433.461 4.198 5 20 IIBD CN(c1ccccc1)c1ccc(CNCc2cccc(CN3CCOCC3)c2)cc1[N+](=O)[O-] 513109308 BCXZWMCBNHDNGF-UHFFFAOYSA-N 446.551 4.485 5 20 IIBD Cn1cc(CN2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 513292859 YSIHXVZLZHULDP-HXUWFJFHSA-N 430.867 4.361 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 514923914 VSBWBDRIYPPREQ-UHFFFAOYSA-N 433.530 4.169 5 20 IIBD CN(CCO)Cc1cc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)ccc1Cl 515014397 RXVGASDNOMRDGE-UHFFFAOYSA-N 432.933 4.408 5 20 IIBD CCOC(=O)c1sc(NC(=O)CCOc2ccccc2[N+](=O)[O-])nc1-c1ccccc1 515640294 PIEHVPZQNMLLGP-UHFFFAOYSA-N 441.465 4.303 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H]1c1cccc(Br)c1 515759024 CVJHHIZWAWBNMA-OAHLLOKOSA-N 425.304 4.192 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 516006524 RGLISOLEDDHBBJ-UHFFFAOYSA-N 448.262 4.246 5 20 IIBD O=C(Nc1cccc(OCc2cc(I)cc([N+](=O)[O-])c2)c1)C1CC1 516119194 MOYODYSZPXDUNK-UHFFFAOYSA-N 438.221 4.127 5 20 IIBD Cc1ccc(-n2c(Sc3nccc(C(N)=O)c3[N+](=O)[O-])nnc2-c2ccccc2)cc1C 516358768 XJIQJXRMAQESBE-UHFFFAOYSA-N 446.492 4.104 5 20 IIBD COCc1nc(CN[C@@H](c2ccc([N+](=O)[O-])cc2)c2nccn2C)c(-c2ccccc2)s1 516779118 GVYHNNRXPJQMKI-NRFANRHFSA-N 449.536 4.477 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 517373989 YYHZDEPHKGJFJK-KRWDZBQOSA-N 428.247 4.324 5 20 IIBD COc1ccccc1CN(C[C@H]1CCCO1)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 518259737 SFFCKVPPKAXBNE-QFBILLFUSA-N 430.526 4.292 5 20 IIBD CC(C)N(CC(N)=O)C(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 520466017 CSTPDUYXDCXPSD-UHFFFAOYSA-N 441.431 4.101 5 20 IIBD COc1ccc(CSCC(=O)N2CCC(OCCc3ccccc3)CC2)cc1[N+](=O)[O-] 522577962 KVGCFAFHAKYADZ-UHFFFAOYSA-N 444.553 4.087 5 20 IIBD CC[C@@H](C)[C@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 524106446 NPHLAQNOBWXBCJ-ZHRRBRCNSA-N 438.528 4.287 5 20 IIBD CC(C)N(Cc1ccc(-c2ccccc2F)s1)S(=O)(=O)c1cccnc1[N+](=O)[O-] 525186503 PHVFGVSDLDGOEE-UHFFFAOYSA-N 435.502 4.457 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1 525407813 CLUDAQSSDBWYOU-UHFFFAOYSA-N 441.915 4.045 5 20 IIBD C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 526019175 WWCZXSHVNLEPOL-SECBINFHSA-N 436.795 4.068 5 20 IIBD O=C1[C@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCCN1CC(F)(F)F 533308077 BSYNUSBESNYODT-MRXNPFEDSA-N 441.381 4.169 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)[S@@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1C 534060653 JEUBZIZTFGNXLE-FOGNVHKLSA-N 427.482 4.143 5 20 IIBD O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCC[C@@H]1[C@H](O)C(F)(F)F 535443349 UHFYCFJKRNVABX-SJORKVTESA-N 426.416 4.274 5 20 IIBD Cc1cnc2c(c1)N(C(=O)c1ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c1)CCO2 536409179 FVKOTQOHUFIBQC-UHFFFAOYSA-N 428.495 4.254 5 20 IIBD CCOC(=O)c1nc(CC)oc1NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 537900967 FNJSOZGWOFIYFT-ZIAGYGMSSA-N 444.488 4.057 5 20 IIBD Cc1nc([C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2)no1 538892869 XVHVPRYANBTPJE-LJQANCHMSA-N 429.864 4.038 5 20 IIBD COc1cc(CCNC(=O)c2cnoc2-c2ccc(F)cc2Cl)c([N+](=O)[O-])cc1OC 539020372 KMUCHTMYEFHMPA-UHFFFAOYSA-N 449.822 4.032 5 20 IIBD Cn1cnnc1Sc1ccc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])cc1 539082994 FDYOKJVMRXVQMO-UHFFFAOYSA-N 432.465 4.189 5 20 IIBD CC(C)C[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1nc(-c2nc[nH]n2)no1 540323476 HLUANHMFPQIJDY-HNNXBMFYSA-N 439.501 4.368 5 20 IIBD CC(C)OCCCCNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 543088871 NGBPHIRPQUCWFX-UHFFFAOYSA-N 431.455 4.151 5 20 IIBD O=C(NCCNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)c1ccc(F)cc1 543483328 KTZDDTYJWFSSQR-UHFFFAOYSA-N 445.516 4.176 5 20 IIBD Cc1ccc([C@H](C)NC(=O)NCc2cn3cc(Br)cc(C)c3n2)cc1[N+](=O)[O-] 543694451 CDBRTCXLEWNIAQ-ZDUSSCGKSA-N 446.305 4.182 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NC[C@@H](C)c2nccs2)c([N+](=O)[O-])c1 544445628 OKDSGZWEHNIXFR-CYBMUJFWSA-N 425.466 4.285 5 20 IIBD O=[N+]([O-])c1ccccc1Cc1noc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)n1 545534161 HUXVRTCNJNJHJP-UHFFFAOYSA-N 436.449 4.036 5 20 IIBD COc1cc(-c2noc(C(F)(F)c3ccc([N+](=O)[O-])cc3)n2)ccc1OC[C@H]1CCCO1 545577201 VCFAGBIQXHWQFB-MRXNPFEDSA-N 447.394 4.351 5 20 IIBD CO[C@@H](C)c1nc(Cc2noc(-c3cc(Br)c(C)c([N+](=O)[O-])c3)n2)cs1 545825779 ZCCIOHYSWMJISN-VIFPVBQESA-N 439.291 4.470 5 20 IIBD Cc1ccc(C(=O)N[C@H](Cc2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)c2ccccc2)cc1 546258060 AEEOEUMJRWBOGM-HXUWFJFHSA-N 443.463 4.249 5 20 IIBD O=C1CCCN1Cc1ccc(-c2noc(-c3cc(Br)cc([N+](=O)[O-])c3)n2)cc1 547140936 MGPOJVAYXVNJSY-UHFFFAOYSA-N 443.257 4.197 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1cccc(COC2CCCCC2)c1 549747287 TUAKGYHAJJIOQG-UHFFFAOYSA-N 439.512 4.084 5 20 IIBD CCc1c(-c2ccncc2)n[nH]c1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 550685136 IMULLTFVFHVDBK-UHFFFAOYSA-N 430.262 4.266 5 20 IIBD COc1cc(C)c(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c(C)c1C 554080232 RVKUYCZQLQZDIJ-UHFFFAOYSA-N 427.486 4.061 5 20 IIBD Cc1ccc(Br)cc1CNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 556519815 JEARREZHXGLLRR-UHFFFAOYSA-N 448.317 4.218 5 20 IIBD CCc1ccc(C(=O)N(C)CC(=O)NC(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 561567025 ZTUWEIVSQGNDPT-UHFFFAOYSA-N 431.492 4.135 5 20 IIBD CC(C)CCSc1ccc(-c2nc(CC(=O)Nc3ccccn3)no2)cc1[N+](=O)[O-] 561697302 XOAQYHFBPJEFEF-UHFFFAOYSA-N 427.486 4.359 5 20 IIBD COc1cc(CN[C@H]2c3ccccc3CC23CCOCC3)c([N+](=O)[O-])cc1OCC(F)F 566884399 IHAJIVOFRKESAP-QFIPXVFZSA-N 448.466 4.431 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CN[C@@H]2CCO[C@@H](c3ccccc3)C2)c1 574123042 GUJZPSPBEYGUAZ-SJLPKXTDSA-N 438.265 4.209 5 20 IIBD O=C(Nc1ncc(-c2ccccc2F)s1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 574620552 UZETXJDTESIARI-ZDUSSCGKSA-N 446.485 4.162 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(-c3nc([C@H]4CN5CCC[C@]5(C)CO4)no3)cc2[N+](=O)[O-])C1 584747522 LCIFHZQLQAUTOB-LEIHUNCNSA-N 441.532 4.053 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1ccc(OC)cc1 589387532 GAZLHSLYJZQKJJ-QFIPXVFZSA-N 433.464 4.010 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Sc2n[nH]c(/C=C\c3ccccc3)n2)c([N+](=O)[O-])c1 591374425 FDPKZEXSYHCUDB-ZWXCPPHNSA-N 425.470 4.011 5 20 IIBD CC(=O)c1ccc(Sc2nnc(-c3cccs3)n2C[C@H]2CCCO2)c([N+](=O)[O-])c1 603473020 HRQOJSMQAXDIJO-CQSZACIVSA-N 430.511 4.448 5 20 IIBD COc1ccc([C@H](C)N(C)C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 603500868 QGLQYZKZFWFAFI-ZDUSSCGKSA-N 440.422 4.437 5 20 IIBD CCCc1noc2nc(C3CC3)cc(C(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCCO4)c12 603734059 ZSWLMWMXBKSVJQ-UHFFFAOYSA-N 438.440 4.375 5 20 IIBD COCCOc1ccc(CNC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc1 603880576 PSKVGLJWJFCBMY-ROUUACIJSA-N 441.528 4.032 5 20 IIBD CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 603966496 APLXSRDIKSTLOK-OAGXWDRDSA-N 427.545 4.129 5 20 IIBD COc1ccc(OC2CCN(C(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 604445135 AKFNYROSKYYBKU-CQSZACIVSA-N 434.876 4.094 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604473568 NBUWVUBKQOOZLP-GDNZZTSVSA-N 448.385 4.345 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc([C@H](C)N2CCOCC2)c1 609209244 GHUDGUPTIPPPJF-SFHVURJKSA-N 426.517 4.431 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)c(Cl)c1 609441025 XYKCBYOTYHRGGG-UHFFFAOYSA-N 445.259 4.086 5 20 IIBD C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1C(F)(F)F 609501527 PVTQBMPSFPCMIA-SMDDNHRTSA-N 441.431 4.157 5 20 IIBD CC(C)(C(=O)N[C@H]1CCN(c2ccccc2Br)C1)c1ccc([N+](=O)[O-])cc1 610044914 HOOJDHZGCJVIBS-HNNXBMFYSA-N 432.318 4.030 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(F)cc2OCC2CC2)ccc1[N+](=O)[O-] 610123559 OJKHRONYALIIHR-HXUWFJFHSA-N 441.459 4.074 5 20 IIBD COc1ccc(C(=O)NCC(=O)N[C@@H](c2cccc(Cl)c2)C2CCCC2)cc1[N+](=O)[O-] 610925738 NUYPVHNUCNYMHB-OAQYLSRUSA-N 445.903 4.034 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 620609774 IKYGHUDEGPODKL-SFHVURJKSA-N 445.950 4.451 5 20 IIBD Cc1ccc2c(CC(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)c[nH]c2c1 726222259 GRMZOBHNCOBRBR-UHFFFAOYSA-N 435.358 4.128 5 20 IIBD Cc1c(C(=O)Nc2ccccc2NC(=O)c2cccs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 726515919 HWZLEDVWRYNUEB-UHFFFAOYSA-N 426.410 4.378 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cn1 727339451 JRAFPQSBMUHOSU-UHFFFAOYSA-N 427.461 4.189 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2cccc3ncccc23)cc1SC 728650906 MHQWAIWUPKCZIG-GFCCVEGCSA-N 441.465 4.058 5 20 IIBD O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCC[C@H]1c1ccccc1C(F)(F)F 731475276 FQGBQQDBHVMIGQ-SFHVURJKSA-N 431.374 4.172 5 20 IIBD C[C@@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])c1ccccc1OCc1ccccc1 731615071 HUGNGBVJIWAYNL-QGZVFWFLSA-N 434.448 4.243 5 20 IIBD COc1cccc(CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)c1OC1CCCC1 733303294 LUNOPPDMTBGQOK-UHFFFAOYSA-N 425.485 4.429 5 20 IIBD COc1cccc(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1OC1CCCC1 733320159 FGGBWSDQAYEUQN-UHFFFAOYSA-N 440.905 4.057 5 20 IIBD COc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3cc(C)cc([N+](=O)[O-])c3N)s2)cc1 733809867 KIFUOTMQLRPSQM-LBPRGKRZSA-N 426.498 4.417 5 20 IIBD COc1ccc(OC(F)F)c(COC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 734324417 AEKNUOHYGTXEAP-JTQLQIEISA-N 431.775 4.369 5 20 IIBD C[C@@H](OC(=O)c1cccc(Oc2cnccn2)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 736925216 RZNKRZBYAHPLKW-CYBMUJFWSA-N 433.380 4.145 5 20 IIBD COc1ccc([C@@H]2[C@H](COC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CCC(=O)N2C)cc1 737339004 GSNLZSPXNXENTI-VBKZILBWSA-N 432.860 4.023 5 20 IIBD C[C@H](OC(=O)Cc1csc(-c2ccoc2)n1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 738852595 LKKJRVIEEVSZKN-NSHDSACASA-N 426.410 4.208 5 20 IIBD O=C(CC1(O)CCCC1)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 740984684 DZGAFBXTDJQLIR-LJQANCHMSA-N 432.860 4.166 5 20 IIBD CCN(Cc1cccc(-c2ccncc2)c1)Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O 742159676 SCKPPPPNRVJOBX-UHFFFAOYSA-N 443.507 4.397 5 20 IIBD O=C(Nc1n[nH]c(-c2ccc(Br)cc2F)n1)c1cc([N+](=O)[O-])ccc1Cl 743342192 ACCICMCKXDEUTE-UHFFFAOYSA-N 440.616 4.187 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(Cn3nc(-c4ccc(F)cc4)oc3=S)CC2)cc1 743390405 JRQBQPWRPAQDDF-UHFFFAOYSA-N 430.461 4.421 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)c2nc(Cc3ccccc3)no2)cc1SC 744951751 GSMOUFZERWVJDP-GFCCVEGCSA-N 429.454 4.217 5 20 IIBD C[C@H](OC(=O)c1ncoc1-c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 745006235 IYPBUQCIYQHOLL-NSHDSACASA-N 449.341 4.453 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2cc(-c3ccc(OC(F)F)cc3)no2)cc1[N+](=O)[O-] 748361604 BTSLIYYUXMGRDR-UHFFFAOYSA-N 434.311 4.320 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 749501658 HDBKXCPFRDZJMX-UAOJZALGSA-N 426.448 4.433 5 20 IIBD CC(C)(C)c1cc[n+](/C(C(=S)NC[C@@H]2CCOC2)=C(/O)c2cccc([N+](=O)[O-])c2)cc1 749589362 KQYXJAHRSISBDV-INIZCTEOSA-O 442.561 4.017 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N(C)c2ccccc2F)cc1 750554101 XFPGALQSVTWLPG-UHFFFAOYSA-N 444.440 4.087 5 20 IIBD Cc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cc1C(=O)N(C)C 750892321 DYMXPJQVAJNNHC-UHFFFAOYSA-N 440.681 4.273 5 20 IIBD CCCNC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc1Cl 753066187 QISUYPIVKUKRRP-UHFFFAOYSA-N 446.312 4.151 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2ccc(-n3cncn3)c(Cl)c2)cc1[N+](=O)[O-] 753131865 GBWDWQKHLLTXDQ-UHFFFAOYSA-N 436.653 4.152 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(Cl)cc1Br 761280837 MAUJPJFHLQCCTA-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 762444745 SUUGHIKLERIOKG-GJZGRUSLSA-N 437.512 4.163 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N(C)C)c(Cl)c1 762958255 YVXAKWBSOXWGRH-UHFFFAOYSA-N 437.905 4.222 5 20 IIBD CC(C)(C)OC(=O)N(CC1CC1)C1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 763003614 UOQFSNSSAGAUGP-UHFFFAOYSA-N 442.516 4.328 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1cc(Cl)ccc1[N+](=O)[O-] 763810005 JDYJYTSPVULOEX-UHFFFAOYSA-N 426.834 4.252 5 20 IIBD COc1ccc(C(=O)N[C@H](C(=O)O[C@H](C)c2ccccc2[N+](=O)[O-])c2ccccc2)cc1 764598591 QAYZFDDITAQGSO-ZHRRBRCNSA-N 434.448 4.379 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 765029568 DZNVHMXQNLHBIQ-OYHNWAKOSA-N 443.504 4.039 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC(O)(c2ccccc2)CC1 767207856 LCNFQYMFVOJYTF-UHFFFAOYSA-N 428.286 4.394 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCO[C@H](c2cccc(Br)c2)C1 768708122 YDDFRPYYGDRIDQ-INIZCTEOSA-N 425.666 4.224 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)C(F)(F)F 768740641 CRYJPCFNEURYRW-UYAOXDASSA-N 434.418 4.324 5 20 IIBD NC(=O)COc1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1 770487600 RPTLPYGAZWPHQI-UHFFFAOYSA-N 446.257 4.094 5 20 IIBD CC(C)c1ccc(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cn1 772438068 XZYHCHNFQVLZCU-IBGZPJMESA-N 425.485 4.355 5 20 IIBD CN(C(=O)C1CC1)c1ccccc1C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1 773403343 LVJBNWHQQMHPMR-UHFFFAOYSA-N 433.258 4.087 5 20 IIBD O=C1/C(=C\c2ccc([N+](=O)[O-])c(Cl)c2)NC(=S)N1c1ccc(OC(F)(F)F)cc1 774118557 KBHNNOPHVZKNMV-MDWZMJQESA-N 443.790 4.409 5 20 IIBD CC(C)COC(=O)N1CCC(C(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])CC1 776134308 ARCOJSJONASCNK-OAQYLSRUSA-N 441.484 4.127 5 20 IIBD CSc1cccc(C(=O)N2C[C@H](CCN3CCCC3=O)c3ccccc32)c1[N+](=O)[O-] 776861504 VXDNIVREXQMJSC-HNNXBMFYSA-N 425.510 4.073 5 20 IIBD CC[C@@H](C)n1nc(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cc1C 778242528 VKYAUKPUWOXGDH-VQIMIIECSA-N 442.516 4.313 5 20 IIBD Cc1nc(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c(-c2ccccc2)s1 778858963 WYTPLZVFXNOQKT-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD COc1cc(OC)c(NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1Br 779188512 RMOFUUZYWXXZDY-UHFFFAOYSA-N 447.289 4.387 5 20 IIBD COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccc([N+](=O)[O-])c(C)c1 781170752 YETSFMYSTUKQRN-IBGZPJMESA-N 430.457 4.221 5 20 IIBD O=C(NOCc1ccc(F)cc1Br)c1ccc2[nH]c3ccccc3c(=O)c2c1 781881499 HHIZQBJKUNRYHG-UHFFFAOYSA-N 441.256 4.445 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCCCC[C@H]1C[C@H](O)c1ccccc1 785223945 WHYXTDAMZVFVBO-JXFKEZNVSA-N 445.903 4.082 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc(-c2cccnc2)nc2ccccc12 785420104 KGPJSRLGWDUPTG-UHFFFAOYSA-N 442.431 4.309 5 20 IIBD CCOC(=O)N1[C@H](C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1c1ccc(C)o1 786143651 BIHHYVYZWZKXCD-HOTGVXAUSA-N 443.412 4.043 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC([C@@H]2CCCCCN2C(C)=O)CC1 790265786 HILZPUGBDQZLBL-IBGZPJMESA-N 437.924 4.042 5 20 IIBD O=C([C@H]1C[C@H]1c1cccc(F)c1F)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791170061 ZSKXEDNDRUGPLT-STQMWFEESA-N 437.240 4.324 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])OC[C@H]1CCN(C(=O)c2ccccc2)C1 801306778 GDMKFBNTMMKNIO-AWEZNQCLSA-N 434.901 4.046 5 20 IIBD CCOc1ccc(NC(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])c(F)cc3N)cc2)cc1 801795917 BRZVIBRGCMIFBA-UHFFFAOYSA-N 438.415 4.219 5 20 IIBD Cc1cc(O)c(COC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)nn1 802175236 RMCKLCIEJKGENP-UHFFFAOYSA-N 428.832 4.021 5 20 IIBD CN(C)c1cc(F)c(C(=O)Nc2nc3c(Br)cccc3s2)cc1[N+](=O)[O-] 804871283 YJGPHMRVGJFLHI-UHFFFAOYSA-N 439.266 4.424 5 20 IIBD CCOC(=O)CC(C)(C)CCOC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 805535668 PNOSMXJJHSJCNQ-UHFFFAOYSA-N 431.435 4.486 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1cc(Cl)ccc1C(F)(F)F 806937549 QOEWPKSMQPFUFT-UHFFFAOYSA-N 436.173 4.175 5 20 IIBD CCc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)OC(C)(C)C)CC3)cc1[N+](=O)[O-] 807786952 MYHOSWREZMUBNG-AWEZNQCLSA-N 446.529 4.248 5 20 IIBD O=[N+]([O-])c1cccc(N(CC[C@H](O)c2ccccc2)S(=O)(=O)c2ccc(F)c(F)c2)c1 808245663 SPGAQECLSXXPMW-NRFANRHFSA-N 448.447 4.192 5 20 IIBD CC[C@@H](OC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-])c1ccc(F)cn1 808948377 RYOHBEJCEXEPRG-QGZVFWFLSA-N 447.444 4.481 5 20 IIBD CC(C)c1nc2ccccc2n1Cc1noc(-c2cc([N+](=O)[O-])ccc2N2CCOCC2)n1 809472998 JALNAQBDBHXHJE-UHFFFAOYSA-N 448.483 4.003 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCC([C@@H](O)c3ccccc3)CC2)c(Cl)cc1Cl 809819089 VUQIPHNVFBFAAD-SFHVURJKSA-N 445.324 4.036 5 20 IIBD COc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)c3cccnc23)cc1[N+](=O)[O-] 809852792 MDHGRPNGKRBVGP-UHFFFAOYSA-N 429.237 4.226 5 20 IIBD C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(N2CCCNC2=O)cc1 812764353 UPYZDVIEUUEGIA-LBPRGKRZSA-N 436.390 4.024 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3c(Br)cccc3[N+](=O)[O-])CC[C@H]21 814177113 XWGZJADBMPLNFS-CZUORRHYSA-N 440.338 4.189 5 20 IIBD O=C(COC(=O)C1(c2cccc(Br)c2)CCCC1)Nc1ccccc1[N+](=O)[O-] 900434072 PLFGCFKLHHKLKK-UHFFFAOYSA-N 447.285 4.351 5 20 IIBD Cc1nc(Cc2ccccc2)sc1C(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 915444837 DCDUYXPINBEENJ-CQSZACIVSA-N 425.466 4.135 5 20 IIBD O=C(COC(=O)CCCOc1cccc2ccccc12)Nc1cc([N+](=O)[O-])ccc1F 915582451 DJKXXLWWJMOCNR-UHFFFAOYSA-N 426.400 4.228 5 20 IIBD Cc1oc2cc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2c(=O)c1-c1ccccc1 916099391 RTMDJSRZPODGGU-UHFFFAOYSA-N 437.429 4.444 5 20 IIBD C[C@H](OC(=O)/C=C\c1ccsc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 917950732 ZDECCEQGKZUYCY-FJOGCWAESA-N 429.479 4.363 5 20 IIBD C[C@@H](OC(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 919442690 DMFVUIPQDUMKBQ-GHMZBOCLSA-N 427.240 4.239 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)CCc1cc(F)ccc1F 919680958 BJEITDKDKSTGFQ-UHFFFAOYSA-N 430.411 4.293 5 20 IIBD Cc1[nH]c2ccccc2c1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 919851975 DDCVVHMHBSLLMF-UHFFFAOYSA-N 448.523 4.241 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1C[C@@H]2CCCC[C@]21c1ccccc1 1116262216 RIRUYAWFMVZMKT-UUOWRZLLSA-N 435.480 4.211 5 20 IIBD COc1cc(C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)ccn1 1317952341 SHSQNXXYMYXGJB-LJQANCHMSA-N 441.827 4.189 5 20 IIBD O=C(Nc1sc2c(c1C(=O)N1Cc3ccc([N+](=O)[O-])cc3C1)CCCC2)c1cccnc1 1318739030 BMPDCTWFBKUYKR-UHFFFAOYSA-N 448.504 4.338 5 20 IIBD CC(C)n1cc2c(n1)[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])CCC2 1319941753 PNLXGEHFDYLNRZ-CYBMUJFWSA-N 433.317 4.035 5 20 IIBD Cc1ccc(C)c(OCc2nnc([C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)o2)c1 1323871722 BPWDXMGGBQIHKY-IBGZPJMESA-N 436.468 4.459 5 20 IIBD O=[N+]([O-])c1cc(I)cc(-c2nnc(-c3ccc4ccccc4n3)o2)c1 1327785607 DMDCRSPSTJMOGC-UHFFFAOYSA-N 444.188 4.465 5 20 IIBD O=C(Nc1ccc(Oc2ccc(Cl)nn2)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 1332052669 JODZPAGXZISUPO-UHFFFAOYSA-N 425.832 4.421 5 20 IIBD CCOc1cccc(CC(=O)O[C@@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])n1 1342610715 NLSYXNAKGZAZLQ-SFHVURJKSA-N 437.290 4.125 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)c3cscn3)CCC2)cc1 1785791779 GRKLWXRQQRUHLE-UHFFFAOYSA-N 436.493 4.042 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3cccnc3Cl)CCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 1790183454 DXMSBADOKUFWNC-UHFFFAOYSA-N 439.859 4.033 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3cccc(F)c3[N+](=O)[O-])cc2)CCC1)c1cccnc1 1790698470 VBFALKCESKIHEN-UHFFFAOYSA-N 434.427 4.190 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cccc2ccoc12 1800526603 YTGAUAPSUXYYMN-BCDXTJNWSA-N 437.427 4.046 5 20 IIBD Cc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc3ccoc23)cc1[N+](=O)[O-] 1801100580 HMIWFPQVFARBKU-ACDBMABISA-N 447.491 4.144 5 20 IIBD Cc1ccc(C(=O)N2CCC3(CCCN(C(=O)CCc4cccc([N+](=O)[O-])c4)C3)CC2)cc1 1806492610 AGGYUWOZVDWEQH-UHFFFAOYSA-N 449.551 4.381 5 20 IIBD Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1C 1830005351 RLMBKEQQSISXKT-FQEVSTJZSA-N 439.512 4.352 5 20 IIBD CCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 1832696617 COSLXEDCINAWEY-IBGZPJMESA-N 445.560 4.273 5 20 IIBD C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc2ccccc2n1C(F)F 9757342 XHHXNZVYIANGBI-CYBMUJFWSA-N 429.427 4.431 5 20 IIBD CC(C)OCc1c(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)oc2ccccc12 11242823 UGTUZYCWHNDCSK-UHFFFAOYSA-N 430.388 4.201 5 20 IIBD COc1ccc(-c2ccc(/C=C3\N=C(c4ccc(NC(C)=O)cc4)OC3=O)o2)c([N+](=O)[O-])c1 15189571 BOBAEVLVEUDXON-ODLFYWEKSA-N 447.403 4.166 5 20 IIBD Cc1cc(C)c(C(=O)[C@H](C)OC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1C 19430998 AIJDQELYTGRKDG-INIZCTEOSA-N 440.452 4.023 5 20 IIBD C[C@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)Cc1c(F)cccc1Cl 22548212 PSSSGVLWYKTGBB-JTQLQIEISA-N 429.231 4.245 5 20 IIBD O=C(CCSc1nnc(NCc2ccc(F)cc2)s1)Nc1ccc([N+](=O)[O-])cc1 26416390 PNSMKJVAVCWOGT-UHFFFAOYSA-N 433.490 4.318 5 20 IIBD CCNc1nc(SCCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)nc2ccccc12 31766768 AIPRSUZKPXXIFE-UHFFFAOYSA-N 427.486 4.099 5 20 IIBD O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 33229871 YKWQQJWMMOUVNW-UHFFFAOYSA-N 430.449 4.409 5 20 IIBD O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] 36676823 UPBNGKODXVQESP-UHFFFAOYSA-N 440.872 4.108 5 20 IIBD CCCCN(C)C(=O)C1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 59352524 VVZKJOCLJXKIQZ-UHFFFAOYSA-N 438.528 4.449 5 20 IIBD CCOCCOc1c(Cl)cccc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 62918661 ZUKMTOUWZUAJTQ-UHFFFAOYSA-N 430.848 4.102 5 20 IIBD CCc1cc(N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 64914753 NTYKJVSVGCCWBK-GOSISDBHSA-N 446.511 4.173 5 20 IIBD Cc1ccc(CNC(=O)c2ccccc2NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 69580082 IDMZTNWZVVMCER-UHFFFAOYSA-N 432.480 4.192 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N(Cc1ccncc1)Cc1cccnc1 79101395 GBKUBTLFCLHXND-UHFFFAOYSA-N 429.383 4.221 5 20 IIBD COc1cc(CN2Cc3ccccc3C[C@H]2c2nnc(C)o2)c([N+](=O)[O-])cc1OC(F)F 195656306 UYRAMDDARRNYRD-KRWDZBQOSA-N 446.410 4.196 5 20 IIBD Cc1cc(C(=O)N(CC(=O)Nc2ccccc2F)Cc2ccccc2F)cc([N+](=O)[O-])c1 195694358 HHPOJSIFPFKNKY-UHFFFAOYSA-N 439.418 4.463 5 20 IIBD O=C(NCCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1cccc(O)c1 237978731 HURPFHSVZOKULH-UHFFFAOYSA-N 429.860 4.124 5 20 IIBD Cc1ccc([C@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 301476087 SSCGRBKVRSWWCE-NRFANRHFSA-N 441.465 4.416 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N[C@H]1CCOC2(CCCC2)C1 301705610 SCBGTXAZROXQOH-KRWDZBQOSA-N 431.514 4.299 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(C(F)(F)F)(C(F)(F)F)C1 303653323 FLEVSJHYMMAARS-QMMMGPOBSA-N 433.736 4.392 5 20 IIBD COc1cccc(C2(F)CCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)CC2)c1 410225042 QIWGOSIJAPPGCF-UHFFFAOYSA-N 437.265 4.467 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NCc1csc(-c2ccco2)n1 425938296 WOFFAMDMFYZMAK-UHFFFAOYSA-N 426.376 4.330 5 20 IIBD C[C@H]1CCCCN1C[C@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 426264021 PDKAMGINOAROFF-JKSUJKDBSA-N 442.482 4.410 5 20 IIBD O=C(NCC1(c2cccc(Cl)c2F)CCCC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 426398237 WLGQCXMLSNYDLG-UHFFFAOYSA-N 449.914 4.442 5 20 IIBD CSc1cnn(-c2ccccc2)c1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 429872460 NYMFUNDCRQOGMW-UHFFFAOYSA-N 447.314 4.446 5 20 IIBD COC(=O)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C)c1ccc(F)cc1 434304048 CKCUZXMZIKDBMN-SFHVURJKSA-N 434.489 4.169 5 20 IIBD CCC[C@H]1CCc2nc(NC(=O)C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)sc2C1 435018088 VDBYBUZYMGLLQT-AWEZNQCLSA-N 442.541 4.086 5 20 IIBD CC(C)c1ccc([C@@H](NC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)C(C)C)cc1 435665240 XQGJGICIIBJCPW-QHCPKHFHSA-N 437.496 4.499 5 20 IIBD C[C@H](c1ccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1)N1CCOCC1 436421531 JBTSBZWVXPHXQW-MRXNPFEDSA-N 445.494 4.466 5 20 IIBD CCOc1cc(-c2noc(CNc3ccccc3[N+](=O)[O-])n2)cc(Br)c1O 436772080 ZRIZCPURYVIDQI-UHFFFAOYSA-N 435.234 4.124 5 20 IIBD CCOc1cc(NC(=O)C(=O)Nc2csc3ccccc23)c([N+](=O)[O-])cc1OCC 440493631 XKMOUCAJOZSPQA-UHFFFAOYSA-N 429.454 4.184 5 20 IIBD Cn1cnnc1-c1cncc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])c1 441059120 IHRHLMANWOLRKW-UHFFFAOYSA-N 432.465 4.189 5 20 IIBD C[C@@H]1CCN(C(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)[C@@H]1CO 443397683 ZMDLFAODPMDNTP-KXMINTHGSA-N 437.521 4.365 5 20 IIBD O=C(NC1(c2cccc(F)c2)CCOCC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 443950798 RSHPVULUOAIOKU-UHFFFAOYSA-N 442.365 4.111 5 20 IIBD O=C(CC1CCCC1)N1CCCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC1 444012624 VZFLBPXBYSNVIG-UHFFFAOYSA-N 449.526 4.075 5 20 IIBD CCO[C@@H]1C[C@H](NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)[C@@H]1Oc1ccccc1 444338720 RJNDIXKQPWOLKB-BKSPAHHJSA-N 446.478 4.175 5 20 IIBD O=C(NCc1csc(Br)c1)c1sc(Br)cc1[N+](=O)[O-] 444861243 SHQMZXFDQHDBBS-UHFFFAOYSA-N 426.111 4.173 5 20 IIBD C[C@H](CCNC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1cccc(C(F)(F)F)c1 445126275 QKIDCSTTZMCNMS-GFCCVEGCSA-N 435.406 4.483 5 20 IIBD COCCCn1c(Sc2cc(C)ccc2[N+](=O)[O-])nnc1-c1ccc(OC)c(OC)c1 446893941 JIUJETFPIUKGOZ-UHFFFAOYSA-N 444.513 4.367 5 20 IIBD Cc1ccc(-c2nnc(N3CCc4ccc([N+](=O)[O-])cc4C3)n2C[C@@H]2CCCO2)cc1F 461061422 UXYGPESCSRGDPB-FQEVSTJZSA-N 437.475 4.043 5 20 IIBD CCOc1cc(C(=O)N(C)CCc2cccc(Br)c2)c([N+](=O)[O-])cc1OC 462855391 UTLJEPIELSNKGC-UHFFFAOYSA-N 437.290 4.079 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cccc(CC(F)(F)F)c2)ccc1[N+](=O)[O-] 464419112 COMXCNFKFHAKOP-GOSISDBHSA-N 435.402 4.251 5 20 IIBD Cn1c(C(C)(C)C)nc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc34)ccc21 464420769 QVSFLEXHYMSHLJ-UHFFFAOYSA-N 439.497 4.128 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2nc3ccc(F)cc3n2C)cc1[N+](=O)[O-])c1ccccn1 464434978 XVXHLEQETNYOBH-CYBMUJFWSA-N 434.431 4.441 5 20 IIBD O=C(NCc1coc(-c2cccs2)n1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465467754 HRZLDFFSWNOHJK-UHFFFAOYSA-N 428.470 4.064 5 20 IIBD CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 467050570 YWDATNMQUVRWGO-CYBMUJFWSA-N 439.559 4.009 5 20 IIBD CN(C[C@@H](O)C(F)(F)F)C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 468330628 HNXGWFRDPAYBDP-CQSZACIVSA-N 434.823 4.395 5 20 IIBD CC1CCN(c2ccc(C(=O)NC[C@@H](C[C@@H](C)O)c3ccccc3)cc2[N+](=O)[O-])CC1 468993495 PGURXXLQOMYKRB-WIYYLYMNSA-N 425.529 4.116 5 20 IIBD CCCOc1cc(NC(=O)Nc2cc([C@H]3CCCOC3)[nH]n2)c([N+](=O)[O-])cc1OCCC 471171133 ZODPVBYMDCZROJ-AWEZNQCLSA-N 447.492 4.434 5 20 IIBD COC(C)(C)CN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 471677554 QEZIBOFHQCFLMK-KRWDZBQOSA-N 436.306 4.052 5 20 IIBD Cc1nn(CCC(=O)N2CCSC[C@H]2c2cccc(C(F)(F)F)c2)c(C)c1[N+](=O)[O-] 472284871 JBTMZKAILPFRLE-INIZCTEOSA-N 442.463 4.134 5 20 IIBD O=C(CCSCc1nc(O)c2c3c(sc2n1)CCC3)Nc1cc(F)cc([N+](=O)[O-])c1 473339279 KZJGRRKKILZCNS-UHFFFAOYSA-N 448.501 4.195 5 20 IIBD COc1c(C(=O)NC[C@@H](C)Sc2ccc(Br)cc2)cccc1[N+](=O)[O-] 475762359 MTUZUKMVVVKOCF-LLVKDONJSA-N 425.304 4.277 5 20 IIBD O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 479451933 WVCQYUFSZHQNLO-QZTJIDSGSA-N 443.500 4.152 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nnc1-c1ccccn1 479744540 MPEIAQSWPUVRNF-LLVKDONJSA-N 432.893 4.041 5 20 IIBD CCn1nc(C)c([N+](=O)[O-])c1N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 480014924 MSEFZVBNIJYRFW-UHFFFAOYSA-N 426.304 4.282 5 20 IIBD Cc1cc(NC(=O)N2CCO[C@H](c3ccc(F)c(Br)c3)C2)ccc1[N+](=O)[O-] 481174895 VQHGUFZDSHDJAF-KRWDZBQOSA-N 438.253 4.410 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1c1nc2ccccc2n1C(C)C 481432636 GTTPZCXHWOVPPS-LJQANCHMSA-N 428.514 4.360 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@H](NC(=O)CCCc2ccccc2)C1 482232967 QKSSRPWODOSPFB-FQEVSTJZSA-N 438.528 4.347 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C[C@]2(CCCOC2)O1 482954934 DZOBTWFMBFOARE-AOMKIAJQSA-N 428.510 4.156 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2nc3c(Cl)cccc3s2)ccc1[N+](=O)[O-] 486143802 AGAZVIFRKAILQP-HNNXBMFYSA-N 444.900 4.410 5 20 IIBD CCNc1ccc(C(=O)NC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1[N+](=O)[O-] 486902146 VQADKTSWJLZNQA-UHFFFAOYSA-N 437.418 4.481 5 20 IIBD O=C(Nc1ccccc1-c1n[nH]c(-c2ccccc2)n1)c1cc2c(c([N+](=O)[O-])c1)OCO2 487779224 DYSQSEJTXBBUFM-UHFFFAOYSA-N 429.392 4.028 5 20 IIBD CCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)[C@H](c1cccnc1)c1ccc(F)cc1F 496445690 BMTDNSOLJSFSNI-JOCHJYFZSA-N 443.454 4.110 5 20 IIBD O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 498521262 DBFVZOSXZCINFX-UHFFFAOYSA-N 448.483 4.441 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1cccc(C(=O)N2CCc3ccccc32)c1 506533688 MNENZKSDVQKCPO-UHFFFAOYSA-N 430.464 4.162 5 20 IIBD CCOc1cc(CN[C@@H](c2ccc([N+](=O)[O-])cc2)c2nccn2C)ccc1OC(F)F 514104937 NNFFMRYNPPRVGJ-IBGZPJMESA-N 432.427 4.208 5 20 IIBD COc1cccc(Oc2ccc(NC(=O)N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)cc2)c1 515798103 YWXJABPLLZJYRX-UHFFFAOYSA-N 449.467 4.145 5 20 IIBD COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 516298266 CTAYAZLSGQEQOJ-QFIPXVFZSA-N 441.528 4.186 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)NCc2nc3cc(Cl)ccc3s2)cc1[N+](=O)[O-] 518734320 QEMJVIXWQUXPSS-UHFFFAOYSA-N 432.310 4.298 5 20 IIBD O=C1[C@@H](Nc2cc(Cl)ccc2OC[C@H]2CCCO2)CCN1c1cccc([N+](=O)[O-])c1 518791535 ZWWOWCPXUCPXRF-MSOLQXFVSA-N 431.876 4.023 5 20 IIBD Cc1cnn([C@H]2CCN(C(=O)c3ccc(NCc4ccccc4Cl)c([N+](=O)[O-])c3)C2)c1 519796064 XHEYNEKEXBHPGL-SFHVURJKSA-N 439.903 4.452 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccsc2)c1 522919704 GRZWVHQPXMRBIO-UHFFFAOYSA-N 431.495 4.326 5 20 IIBD COc1ccc(Cl)cc1N1CC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 523255171 HZZOTBHVHGZQFE-AWEZNQCLSA-N 431.901 4.480 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(CCn3nnc(-c4ccccc4)n3)cc2)c1 525155307 SJDZTLGRXNJWNJ-UHFFFAOYSA-N 428.452 4.052 5 20 IIBD Cc1c(NCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)cccc1C(=O)NCCO 533220137 RQFGOHHPRLLVSR-UHFFFAOYSA-N 434.496 4.005 5 20 IIBD CC(C)(C)n1cc(C(=O)NCCc2cccc([N+](=O)[O-])c2)c(-c2ccc(F)cc2F)n1 533998756 YGEDJQVWKYDQGC-UHFFFAOYSA-N 428.439 4.464 5 20 IIBD CCOC(=O)c1cnc(/C=C/c2csc(-c3cccc([N+](=O)[O-])c3)n2)c(C(=O)O)c1 539230741 CAGBPBSUHMQVKV-VOTSOKGWSA-N 425.422 4.159 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccnn1Cc1ccccc1Br 541264362 YTWQNANQVGCAJJ-UHFFFAOYSA-N 447.314 4.333 5 20 IIBD CC(C)n1nnnc1-c1ccc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1F 542152998 ARGCLFKGGJISQP-LBPRGKRZSA-N 430.465 4.088 5 20 IIBD Cn1ccnc1COc1ccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1 544075730 MLGFJRIRBXYIAU-UHFFFAOYSA-N 432.889 4.292 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc(OCCN(C)C)cc2)no1 544983983 SECCOLIAMJYJAI-CYBMUJFWSA-N 432.864 4.379 5 20 IIBD COc1cc(Cc2noc(-c3ccc(NC(=O)c4ccccc4)cc3)n2)ccc1[N+](=O)[O-] 545081435 YPDXVMCYOFWMLF-UHFFFAOYSA-N 430.420 4.497 5 20 IIBD COc1cc(Br)ccc1-c1noc(-c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)n1 546495100 QRCRCQJTDPPUHX-UHFFFAOYSA-N 442.229 4.269 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2cccnc2OCC(F)F)no1 546549566 WQNSXWRHKZKBFP-SECBINFHSA-N 426.763 4.477 5 20 IIBD CCN(C[C@H]1CCCN1CC)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 548454924 YOLICVXHZOZHEQ-PKOBYXMFSA-N 425.533 4.109 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCN(C4CCC4)C[C@@H](C)C3)cc2[N+](=O)[O-])C1 553863171 SKEVQIZPXYYGNP-CEXWTWQISA-N 428.577 4.024 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1cnc2c(F)ccc(F)c2c1)c1ccccc1[N+](=O)[O-] 558888653 DMQLPILSPISVGU-SFHVURJKSA-N 443.406 4.234 5 20 IIBD O=C(Nc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1)c1cccnc1 559363809 FXKYOPFLPRTCPN-UHFFFAOYSA-N 444.369 4.191 5 20 IIBD C[C@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1ccc(Br)cc1F 564542127 OFVAKMDCJNXXIY-NSHDSACASA-N 448.248 4.301 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 566709151 FOBSRULBHHVCMK-CEWLAPEOSA-N 432.904 4.402 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(Cc1c(Br)cncc1Br)CC2 569895208 OGUSBNJPZNMIAM-UHFFFAOYSA-N 427.096 4.073 5 20 IIBD Cc1nc2cccc(-c3noc([C@@H]4CCCN4C(=O)c4ccc([N+](=O)[O-])c(C)c4)n3)c2[nH]1 570246319 HAJNBFFZSYAGRR-SFHVURJKSA-N 432.440 4.115 5 20 IIBD CCOc1ccc([C@@H](C)NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1OC 573597218 UEPPJWMNIFACSB-CQSZACIVSA-N 426.473 4.086 5 20 IIBD CC[C@@H](c1cccc(OC)c1)N(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 576096475 JINIDGMOWZAPME-UNMCSNQZSA-N 439.512 4.126 5 20 IIBD COc1ccc(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1OCc1ccncc1 578539053 CRTMFJQWXDDZEJ-UHFFFAOYSA-N 436.468 4.284 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(Nc3ccc4c(c3)N(C(=O)Cc3ccccc3)CC4)cc2N1 583884830 NIDLIHMFKXGRKL-UHFFFAOYSA-N 442.475 4.355 5 20 IIBD Cc1nc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)sc1Cc1ccccc1F 603973266 WBECGGYUTAODJN-UHFFFAOYSA-N 429.429 4.113 5 20 IIBD COc1cccc2c1OCC[C@@H]2NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 604570773 JRIZCDRLWIJAMS-KXBFYZLASA-N 448.479 4.425 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(-c3ccccc3)cn2)ccc1[N+](=O)[O-] 608812718 ZVAPNACEHBXECP-NRFANRHFSA-N 430.464 4.209 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(Cc1ccc(F)cc1)C1CCCCC1 609154373 JLFJJOYQOIYTBD-INIZCTEOSA-N 427.476 4.214 5 20 IIBD CCCO[C@H]1CCCN(c2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])CC1 609384591 UTYOULWVFDWEBM-SFHVURJKSA-N 433.530 4.181 5 20 IIBD C[C@H](NC(C)(C)CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccccc1 609459868 GBYLYWJHVXAXBG-AWEZNQCLSA-N 439.434 4.395 5 20 IIBD CCOc1cc(C(=O)N2C[C@@H](c3ccccc3Cl)OC[C@@H]2C)c([N+](=O)[O-])cc1OC 609509151 ISBQFUHIYHYHEJ-RBZFPXEDSA-N 434.876 4.258 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 609755546 MLQLLMAZDYMOHY-UHFFFAOYSA-N 446.431 4.408 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 610043857 UBGWLZSRJWMWNG-UHFFFAOYSA-N 448.317 4.088 5 20 IIBD COc1cc(C(C)=O)ccc1OCCCC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 610210319 IUTINBICSCTZTF-JOCHJYFZSA-N 444.509 4.239 5 20 IIBD COc1cc(CNc2ccc(-n3ccnn3)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 610910640 OBSPDOKUTWLLGF-UHFFFAOYSA-N 431.452 4.375 5 20 IIBD C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1cc(I)cc([N+](=O)[O-])c1 611549210 OOEHZNOQVUILRK-WPRPVWTQSA-N 442.175 4.002 5 20 IIBD CCN(Cc1ccncc1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 617179458 GGSZXVGQLGRFDB-UHFFFAOYSA-N 441.491 4.434 5 20 IIBD CC(C)(C)c1ccc([C@@H](O)CCC(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 726870676 JTUNENXDOLMHQM-FQEVSTJZSA-N 429.469 4.316 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(C(=S)Nc3ccccc3F)CC2)c(C(F)(F)F)c1 727282631 CPKHKBMWBAMLAR-UHFFFAOYSA-N 428.411 4.272 5 20 IIBD Cc1nnc(Sc2ccc(NC(=O)COc3ccc(C=O)cc3[N+](=O)[O-])c(C)c2)s1 731625586 TULKPOXURISREX-UHFFFAOYSA-N 444.494 4.044 5 20 IIBD CC(C)(C)OC(=O)N(CCCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)C1CC1 732566842 WPBJSRXRHSHLHY-UHFFFAOYSA-N 432.521 4.032 5 20 IIBD Cc1ccccc1COc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 732654402 UUDWQQJDQAWNAU-UHFFFAOYSA-N 443.437 4.191 5 20 IIBD Cc1c(C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 734406175 QZWCNKMKMVFZDZ-WJOKGBTCSA-N 439.449 4.372 5 20 IIBD CSc1ccc(C(=O)O[C@H](C)c2nc3cc(Br)cnc3[nH]2)cc1[N+](=O)[O-] 735217618 KKXVBVZOKUURLN-MRVPVSSYSA-N 437.275 4.269 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NC[C@](C)(O)c3cc(C)oc3C)cc2[N+](=O)[O-])n1 743514453 OCQQPRSAEYDTQA-FQEVSTJZSA-N 447.538 4.358 5 20 IIBD Cc1c(Br)cccc1C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 744118087 WVTZGACPFVWANY-CQSZACIVSA-N 447.285 4.127 5 20 IIBD CCOc1cc(N2CCC(OC(=O)/C=C/c3ccc(OC)cc3)CC2)ccc1[N+](=O)[O-] 744203309 GZCLJMXOMDDEHA-IZZDOVSWSA-N 426.469 4.228 5 20 IIBD Cc1ccc(SCCOC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1C 744467876 BDFARVUAEDWQJG-UHFFFAOYSA-N 444.538 4.440 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)C1(c2cccc(Cl)c2)CCC1 744537447 RRMBZPLDCZCUFB-ZDUSSCGKSA-N 432.860 4.249 5 20 IIBD C[C@@H](OC(=O)[C@@H]1SCCc2sccc21)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 745635309 HBKWFNRUCGPHEL-RFAUZJTJSA-N 426.903 4.211 5 20 IIBD O=C(Nc1cc2c(cc1Br)OCCO2)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 746795564 LRKFVDQZYLJTTA-UHFFFAOYSA-N 447.163 4.400 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1C[C@@H]1c1cccc(Br)c1 747523198 XYVCIIFIDHPXPD-SJORKVTESA-N 434.242 4.071 5 20 IIBD O=C(NCC1CCOCC1)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 749152430 MJCHDIAARISGNQ-UHFFFAOYSA-N 437.540 4.210 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCCSc1ccc(Cl)cc1 749973947 DBGMKFNMDSTCOI-UHFFFAOYSA-N 436.873 4.272 5 20 IIBD Cc1nc(-c2ccccc2)c(C(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)s1 750427408 WNYBYOIESUVAAL-UHFFFAOYSA-N 438.509 4.495 5 20 IIBD O=C(CCc1ncc(-c2ccccc2)o1)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 750433036 ANWVLNGOECICQM-UHFFFAOYSA-N 436.468 4.037 5 20 IIBD Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1ccc(Br)cc1[N+](=O)[O-] 750961933 AMSSVCNTIWYQLQ-CHWSQXEVSA-N 435.274 4.088 5 20 IIBD O=C(OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(CCC(F)(F)F)cc1 752483017 KFVBKFJDCYJUCM-UHFFFAOYSA-N 444.793 4.330 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 752980798 MJLBHNIAYKPVLZ-JTQLQIEISA-N 438.665 4.002 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCC([C@H](O)c3ccccc3)CC2)cc1[N+](=O)[O-] 753431493 LKCYTCDMHSCDIQ-LJQANCHMSA-N 433.302 4.252 5 20 IIBD C[C@H](C(=O)OC[C@@H]1CC(=O)N(C)[C@@H]1c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1F 755693601 AOZRKKVDPNJHIP-TVSHIAKJSA-N 434.851 4.254 5 20 IIBD CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)OCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 757114221 GYPYFGMGEBGVCA-UHFFFAOYSA-N 449.463 4.162 5 20 IIBD C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 759836901 PRSUXXNZHADKED-GFCCVEGCSA-N 429.816 4.251 5 20 IIBD Cc1cnc(O)n1-c1ccc(-c2noc(CCOc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 761823564 HLGBGNRMPRYWAJ-UHFFFAOYSA-N 441.831 4.119 5 20 IIBD C[C@H](C[C@@H](O)c1ccccc1)NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 762687023 OHRLTCNAJDTXKN-KZULUSFZSA-N 449.294 4.329 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] 764600709 ZOFLESDSGPIWJA-UGSOOPFHSA-N 432.860 4.166 5 20 IIBD O=C(Nc1ccccc1C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)OCc1ccccc1 769603937 KRDLLYVRBWXSFS-UHFFFAOYSA-N 445.435 4.150 5 20 IIBD COc1cc(NC2CCN(Cc3coc(-c4ccccc4)n3)CC2)c([N+](=O)[O-])cc1OC 770190591 MAWQSKBXAQEUNR-UHFFFAOYSA-N 438.484 4.344 5 20 IIBD Cc1noc(C)c1[C@@H](C)C(=O)O[C@@H](c1ccc(Br)cc1)C(C)(C)[N+](=O)[O-] 774367177 PYYGHBACZFKVOU-HWPZZCPQSA-N 425.279 4.497 5 20 IIBD CCCCCc1ccc(OS(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)cc1 777855318 ZOFIUTZMMOMVII-UHFFFAOYSA-N 434.470 4.052 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(NC(=O)c2ccccc2)cc1 777951496 PTHLXWHJWBLFSR-UHFFFAOYSA-N 430.413 4.062 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2csc(-c3ccc(F)c(F)c3)n2)cccc1[N+](=O)[O-] 780133788 IZGUGQIUHUODEJ-LLVKDONJSA-N 447.419 4.489 5 20 IIBD COc1ccc(C(=O)CC(C)(C)C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1 780234380 FKIRPRGVJCSWPB-UHFFFAOYSA-N 448.859 4.038 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2nnc(S)n2CC)C1 780480949 VJJKAONPSQYSSW-CYBMUJFWSA-N 435.575 4.017 5 20 IIBD O=C(NC[C@@H](O)c1ccccc1Cl)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 780913800 OTGHKCQKLQRPFT-LJQANCHMSA-N 428.822 4.076 5 20 IIBD Nn1c(CSc2ccccc2)nnc1Sc1ccc(Br)cc1[N+](=O)[O-] 782382680 WEWZAXZMWFUPMQ-UHFFFAOYSA-N 438.332 4.106 5 20 IIBD CNC(=O)c1ccc(Cl)cc1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 782697737 LHIIIBBESVCUTE-UHFFFAOYSA-N 439.855 4.439 5 20 IIBD COC(=O)[C@](C)(COC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 783143888 ZSZJJLDJFXCFMK-OAQYLSRUSA-N 426.450 4.006 5 20 IIBD CCc1ccc(C(=O)OCc2nnc(-c3ccccc3Br)o2)cc1[N+](=O)[O-] 783959456 LYYKFFNOJOVFNN-UHFFFAOYSA-N 432.230 4.327 5 20 IIBD CCN(CC)C(=O)c1ccccc1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 785732281 CLWNRJYIFBHIMZ-UHFFFAOYSA-N 438.406 4.417 5 20 IIBD CC[C@@H](Oc1ccccc1F)C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 786523541 PZZFGFGZXKDAQP-OAHLLOKOSA-N 444.337 4.092 5 20 IIBD O=C(Cc1ccc(Br)c(Cl)c1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 787823114 UPVNHPIEZOJUTH-UHFFFAOYSA-N 442.649 4.163 5 20 IIBD CCOC(=O)c1cc2cc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3Cl)ccc2s1 788216622 LRMBLQHYOSGKNY-UHFFFAOYSA-N 440.886 4.440 5 20 IIBD CC(=O)c1cc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)ccc1C 789139623 XTQLTBHNXXFZCE-GFCCVEGCSA-N 438.358 4.309 5 20 IIBD CCOc1cc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c([N+](=O)[O-])cc1OCC 790705786 YGZRECDUCRLJNY-UHFFFAOYSA-N 441.799 4.274 5 20 IIBD O=C(c1ccc(F)cc1)C1CCN(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 791027890 UPYVHOFXNFMFKR-UHFFFAOYSA-N 435.249 4.232 5 20 IIBD NC(=O)c1ccc(CN[C@@H](c2c[nH]c3ccccc23)C(Cl)(Cl)Cl)c([N+](=O)[O-])c1 796471016 PSMCVYYWFKARHS-INIZCTEOSA-N 441.702 4.376 5 20 IIBD COc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)cc1NC(=O)OC(C)(C)C 797434026 LZASFNUNBAYDAU-UHFFFAOYSA-N 431.445 4.276 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCCO)N1CCC(c2cc3ccccc3[nH]2)CC1 797767013 UBMZXXYFDQYKAS-UHFFFAOYSA-N 425.510 4.180 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)C[C@H](O)c1ccc(OCc2ccccc2)cc1 804176299 JWIZNFCPNYXVSE-DEOSSOPVSA-N 434.492 4.298 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCCc1nnc(-c2ccccc2)o1 806115113 SPCLJDQETIJKPN-UHFFFAOYSA-N 432.230 4.115 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)c2ccc(F)c3ccccc23)cc1[N+](=O)[O-] 808326154 MYISIMYQHLDMBR-GFCCVEGCSA-N 447.444 4.105 5 20 IIBD CC(C)(C)OC(=O)NCC1(COC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 809095933 KFZNVHAFUPBRFQ-UHFFFAOYSA-N 433.486 4.180 5 20 IIBD Nn1c(COc2ccccc2)nnc1SCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 809953854 RYQUBPJTNIQHIL-UHFFFAOYSA-N 426.285 4.078 5 20 IIBD O=C(NC[C@H]1CCN(c2ccccc2F)C1)Nc1ccc(Br)c([N+](=O)[O-])c1 812957424 UCLKMMCGCSPIPA-GFCCVEGCSA-N 437.269 4.144 5 20 IIBD Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 813091544 JXRZYCSXQLUOQT-UHFFFAOYSA-N 441.591 4.173 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)nn1-c1ccc(F)cc1F 813872982 IFTBRPWGNGJUDS-UHFFFAOYSA-N 427.411 4.220 5 20 IIBD C[C@@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ncc(-c2ccccc2)o1 815019423 HJZUSGLHJKJNDB-SNVBAGLBSA-N 425.825 4.082 5 20 IIBD O=C(CCNC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1cc(Cl)cc(Cl)c1 816658935 XAUIEWXHIGXVMW-UHFFFAOYSA-N 437.327 4.489 5 20 IIBD CCOC(=O)[C@H]1CCCc2sc(NC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])nc21 817501282 KDBSNRNATVFMOI-JTQLQIEISA-N 441.868 4.008 5 20 IIBD C[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccc(C(F)(F)F)nc1Cl 817874400 DOERYWABALUXDZ-JTQLQIEISA-N 439.781 4.339 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(CNc2cc(N3CCOCC3)ccc2Br)c1 864013378 VEDBOMVWEOPWMI-UHFFFAOYSA-N 426.698 4.459 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)c1ccc2ccccc2c1 864095033 VMMPUYIBLVLJPL-NRFANRHFSA-N 437.521 4.263 5 20 IIBD CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 914507218 HFIUFPDNWAVSBG-UHFFFAOYSA-N 437.418 4.113 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2ccccc2SC(F)(F)F)c([N+](=O)[O-])c1 914946676 QXRVNRPIGQGWML-UHFFFAOYSA-N 444.387 4.401 5 20 IIBD CCOc1ccc(-c2nc(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)cs2)cc1 914993547 SHTBVZKSBRKBBC-UHFFFAOYSA-N 441.465 4.221 5 20 IIBD C[C@H](OC(=O)c1cccc(OCc2cccs2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 915465045 SYKPAXJXXKGECZ-AWEZNQCLSA-N 426.450 4.419 5 20 IIBD CC(C)n1ncc2cc(/C=C/c3ccnc(-c4cccc([N+](=O)[O-])c4)[n+]3[O-])c(Cl)nc21 915988482 XNZZOBBSJCZFDZ-VOTSOKGWSA-N 436.859 4.440 5 20 IIBD C[C@@H]1CN(c2ccc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)cc2F)C[C@@H](C)O1 916411889 AEJQARJQWWLBFS-ZIAGYGMSSA-N 428.464 4.174 5 20 IIBD CCCCN1C(=O)C[C@H](C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)[C@H]1c1ccc(OC)cc1 916757869 FOBQFCLZTCTWOP-LAUBAEHRSA-N 429.448 4.071 5 20 IIBD O=C(COC(=O)c1csc([N+](=O)[O-])c1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 917283795 YKHTYYZMFVHKJM-LJQANCHMSA-N 430.869 4.372 5 20 IIBD Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 917742319 DADJPPQCKPTSDM-HZPDHXFCSA-N 449.511 4.010 5 20 IIBD O=C(NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1(c2ccc(Cl)cc2)CCCC1 920333575 QOXAIHOEWWCTBP-UHFFFAOYSA-N 443.308 4.219 5 20 IIBD COc1cc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)c([N+](=O)[O-])cc1OCc1cscn1 1115892840 QQVCYDUSRZSDBA-GJZGRUSLSA-N 431.514 4.291 5 20 IIBD CSc1ccc(C(=O)Nc2ccc3nc(CN4CCCCC4)[nH]c3c2)cc1[N+](=O)[O-] 1318418421 QEZIEIRPUGUCTI-UHFFFAOYSA-N 425.514 4.431 5 20 IIBD C[C@@H](OC(=O)[C@@H](C)OC1CCCCC1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 1321327908 AFTFRTNJVJHCNW-ZIAGYGMSSA-N 447.513 4.326 5 20 IIBD O=C(c1ccccc1)N1CCC[C@@H](Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 1341730818 YYJQSEWVADVEPY-CQSZACIVSA-N 438.362 4.239 5 20 IIBD Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CCC2)cc1 1785747715 HHJJGOFBXZBQSX-UHFFFAOYSA-N 433.464 4.487 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1)c1c[nH]c2nccc-2c1 1788460250 XBYYZQVECDLOGC-UHFFFAOYSA-N 445.435 4.077 5 20 IIBD CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C2)c1ccccc1 1795458222 NYBCFNAMDHYPMJ-XAPVIXHLSA-N 439.487 4.180 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCCCC1(F)F 1804339073 ZREUIHADIUSCPT-NIPFYJPSSA-N 447.482 4.072 5 20 IIBD CC[C@H](C)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2cc([N+](=O)[O-])ccc2F)[nH]n1 1815040826 UEQNVNNDCCOIJU-IFXJQAMLSA-N 445.495 4.128 5 20 IIBD Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)[nH]n2)cc1C 1820536448 IUPLDVORZDDRPL-KRWDZBQOSA-N 437.456 4.147 5 20 IIBD CCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cc([N+](=O)[O-])ccc2F)CC1 1831385616 WYNRKTNPPRDQJZ-OAQYLSRUSA-N 447.551 4.332 5 20 IIBD Cc1cccc(C(=O)N2CC3(CCCN3C(=O)c3c(F)ccc([N+](=O)[O-])c3C)C2)c1Cl 1845494162 SEQWJDBIBSCICH-UHFFFAOYSA-N 445.878 4.135 5 20 IIBD Cc1c(C(=O)N2CCCC23CN(C(=O)[C@@H](C)c2ccccc2)C3)cc(Cl)cc1[N+](=O)[O-] 1845500233 GHTQJBCMUMQDMK-HNNXBMFYSA-N 441.915 4.177 5 20 IIBD O=C(CSc1ccccn1)Nc1c(Br)cc([N+](=O)[O-])cc1Br 9471091 KGCAYGQINZJOLB-UHFFFAOYSA-N 447.108 4.246 5 20 IIBD Cc1cccc(-c2nc(CC(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)cs2)c1 10775078 OVZFHNGFWHHNTC-UHFFFAOYSA-N 426.450 4.179 5 20 IIBD Cc1cc(Br)c(NC(=O)COc2cccc([N+](=O)[O-])c2)c(Br)c1 10798054 OVMOZJODXISIMV-UHFFFAOYSA-N 444.079 4.446 5 20 IIBD C[C@@H](OC(=O)c1c[nH]c2ccc(Br)cc12)C(=O)Nc1ccccc1[N+](=O)[O-] 16327627 UJLZFZDKGKYYKQ-SNVBAGLBSA-N 432.230 4.023 5 20 IIBD COC(=O)c1ccc(OCC(=O)Nc2c(Cl)cccc2C(F)(F)F)c([N+](=O)[O-])c1 22222867 XSOYCSPTZHPFLN-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD Cc1c(Cl)cccc1-n1c(Sc2c([N+](=O)[O-])ncn2C)nc2ccccc2c1=O 29163496 SRTMZXCUFHWIJS-UHFFFAOYSA-N 427.873 4.140 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCCc2nc3ccccc3[nH]2)cc1 32763706 CCXZHDCZVXZYEZ-UHFFFAOYSA-N 432.436 4.245 5 20 IIBD COc1ccc(S(=O)(=O)N(Cc2cccnc2)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 59122333 IOJJYEJOMXTUFH-UHFFFAOYSA-N 433.873 4.047 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(C(=O)c2ccc(Cl)cc2)CC1 60482671 PSSWTZZQHODTTI-UHFFFAOYSA-N 445.903 4.180 5 20 IIBD Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 71976411 SPYPZBHAJHCTER-ZIAGYGMSSA-N 440.456 4.182 5 20 IIBD CCOC(=O)/C=C\c1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 214483740 IMBKPZXWEBLKGS-SSZFMOIBSA-N 426.472 4.370 5 20 IIBD C[C@](CO)(NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 237638012 UUOVCGOBGYMVLK-RUZDIDTESA-N 428.492 4.445 5 20 IIBD COc1cc(OC)cc([C@@H](Nc2cc(C)nc3c([N+](=O)[O-])cccc23)c2nccn2C)c1 301988977 FAEMTUOZWHKBDV-OAQYLSRUSA-N 433.468 4.404 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCCN(c2ccccc2)CC1 302955254 KYNXTXUVXWXNTL-UHFFFAOYSA-N 436.434 4.155 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 303002347 KYWNNDZNFSEHBT-RDGATRHJSA-N 443.503 4.391 5 20 IIBD CCOc1ccc(CCC2CCN(C(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)CC2)cc1 303363951 IDDFPFBUJCAXQB-UHFFFAOYSA-N 449.511 4.059 5 20 IIBD COc1cc(C(=O)N2CC[C@H](CO)C[C@@H]2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 426163234 VBZUMEZOGSCSDW-KBPBESRZSA-N 434.876 4.282 5 20 IIBD C[C@@H]1CN(CCC2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC2)C[C@@H](C)O1 427312673 JPKQNCDPPVTBHK-HZPDHXFCSA-N 431.558 4.161 5 20 IIBD O=C(Nc1cc(N2CCCC2=O)ccc1Cl)c1ccc(Br)cc1[N+](=O)[O-] 429961339 DZJANCFHFCZJNS-UHFFFAOYSA-N 438.665 4.390 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc(Br)cc1[N+](=O)[O-] 430306076 SGBZNAXDAINLFN-GZBFAFLISA-N 438.322 4.079 5 20 IIBD CCCOc1cc(O)ccc1NC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C 430479604 WRSHDYIGFIKCPH-LJQANCHMSA-N 449.891 4.136 5 20 IIBD CC(C)(NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1)c1ccc([N+](=O)[O-])cc1 431428723 VXWSLZCAVBNEPV-UHFFFAOYSA-N 445.522 4.122 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@H]1c1nc2ccccc2s1 431570495 MYTSOHRNPYHOHB-KRWDZBQOSA-N 434.477 4.495 5 20 IIBD CC(C)(NC(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1)c1ccc([N+](=O)[O-])cc1 431661062 MBMSXZSWOUOFAZ-HNNXBMFYSA-N 434.443 4.009 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(C(=O)c2ccc(F)cc2)CC1 434673429 DICILYOXLVTKLB-ZDUSSCGKSA-N 433.867 4.309 5 20 IIBD O=C(Cn1cc(Br)cn1)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435446326 ZNKFLOHMAXAVFW-UHFFFAOYSA-N 439.316 4.405 5 20 IIBD O=C(NCCc1ccc(F)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435509978 FCUZWNZTCUZKAN-UHFFFAOYSA-N 445.497 4.244 5 20 IIBD O=C(Nc1ccc(N2CCCC2=O)cc1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 435826719 NECYTTCWUUTDCW-UHFFFAOYSA-N 433.414 4.339 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1O)N(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 436861940 GENWDJPKWSRBOW-QFIPXVFZSA-N 446.507 4.002 5 20 IIBD CC(C)n1nc(-c2ccccc2)cc1NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 437042770 ZDHIJGNVKYESPY-UHFFFAOYSA-N 447.495 4.169 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N(CCc1ccccn1)Cc1ccncc1 439162318 CLXJGFROAWAWIA-UHFFFAOYSA-N 441.285 4.032 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)Cc1ccccc1-c1ccccc1 439729427 RKUMMDZOKRDKJE-UHFFFAOYSA-N 433.464 4.258 5 20 IIBD COc1ccccc1CN(Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccc2nc(O)[nH]c2c1 440722286 CBKXHSHKWAFGBA-UHFFFAOYSA-N 434.452 4.401 5 20 IIBD Cc1cc2nc(-c3ccc(CNC(=O)C(C)(C)n4cc([N+](=O)[O-])cn4)cc3)[nH]c2cc1C 443681243 LTPCLEDCHXVTAM-UHFFFAOYSA-N 432.484 4.003 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccc(NC2CCOCC2)cc1 446172113 LGINRJLEDBZBSK-UHFFFAOYSA-N 434.290 4.129 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H](c1ccccc1)c1cccnc1 446172914 ZXJMKOOSTILVGD-FQEVSTJZSA-N 426.270 4.201 5 20 IIBD O=[N+]([O-])c1cc(CNc2ncn(CC(F)(F)F)n2)ccc1Oc1ccccc1Cl 446878851 FSDOWDQQTYWFJN-UHFFFAOYSA-N 427.770 4.806 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)c2ncccc12 446962332 KCHZLLBAIJOBKQ-UHFFFAOYSA-N 449.492 4.144 5 20 IIBD COc1ccc(Cl)cc1C1(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCOCC1 447532131 SJBQMIPOAVKROF-RBUKOAKNSA-N 448.951 4.275 5 20 IIBD Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)[C@H](C)CO1 460399733 JJUYZCNJEWPFIC-HXOBKFHXSA-N 448.523 4.367 5 20 IIBD C[C@H]1C[C@H](c2cccc(F)c2)N(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 462721367 SMFSXXHDNCQECV-XHDPSFHLSA-N 443.294 4.268 5 20 IIBD COc1cc(C)c(Br)cc1NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 463048186 JQYMOOQXOSEADL-UHFFFAOYSA-N 432.230 4.180 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 463976387 MZGIGFHOXPMJHX-VQTJNVASSA-N 432.908 4.058 5 20 IIBD COc1ccc2oc([C@@H](C)NC(=O)C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)c(C)c2c1 464051877 WCUJEFDPXMLDMI-CQSZACIVSA-N 425.441 4.091 5 20 IIBD CCc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2cccc(S(C)(=O)=O)c2)cc1 464374359 HFOLGRKLPBAHCL-JOCHJYFZSA-N 438.505 4.080 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CC(OCc2cccc3ccccc23)C1 467465654 TVOZBVNQZDMYSL-UHFFFAOYSA-N 429.432 4.043 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 468732210 CDMMEDLTQBCYGV-UHFFFAOYSA-N 446.301 4.165 5 20 IIBD COc1ccc(S(=O)(=O)N(C)[C@@H](C)c2sc(-c3ccccc3)nc2C)c([N+](=O)[O-])c1 468809485 COGIKZSFIBCMOP-AWEZNQCLSA-N 447.538 4.417 5 20 IIBD Cc1ccc(NC(=O)c2c[nH]c3c(Cl)cc(Br)cc3c2=O)cc1[N+](=O)[O-] 468845738 GHIXMQYXLXOZAG-UHFFFAOYSA-N 436.649 4.413 5 20 IIBD COCCN(C(=O)c1ccc2oc(C)nc2c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 470740923 REEWIYCPTXFLRT-UHFFFAOYSA-N 438.465 4.461 5 20 IIBD C[S@@](=O)C[C@@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 472102621 USDDHYYDYYNXCS-ROTAYESASA-N 437.521 4.057 5 20 IIBD C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C[C@H](C2CC2)O1 473318874 KQCXRIBXKIPGRK-SPLOXXLWSA-N 429.904 4.500 5 20 IIBD COc1ccc(C[C@H](C)CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1OC 476180595 XBQQXGAPWVKMHU-INIZCTEOSA-N 427.501 4.165 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC(C)(c2cccc(Cl)c2)CC1 478439013 OFDYIAATPOZTTI-KRWDZBQOSA-N 433.940 4.061 5 20 IIBD COCCN(Cc1sccc1Br)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 478793179 HWINDFIERMOYBO-GFCCVEGCSA-N 442.335 4.338 5 20 IIBD O=C(NCc1ccccc1COCc1ccccc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 479644960 WVRQPUULWHQGNP-UHFFFAOYSA-N 442.475 4.427 5 20 IIBD COc1cc(C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)cc([N+](=O)[O-])c1C 480160251 OBVFJTYGTSTDAP-UHFFFAOYSA-N 437.427 4.484 5 20 IIBD COc1ccc(NC(=O)N[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc1[N+](=O)[O-] 480296879 CCXXBYAQVVCLDC-IBGZPJMESA-N 439.390 4.146 5 20 IIBD Cc1cc(C[C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)n(-c2ccccc2)n1 484669699 OFCKBGHAQYRUBC-CYBMUJFWSA-N 432.402 4.469 5 20 IIBD COc1ccc(OC)c(NC(=O)CSc2ccc(Br)cc2[N+](=O)[O-])c1 485299176 RCQMMYSMJMGDLU-UHFFFAOYSA-N 427.276 4.105 5 20 IIBD O=C(Cc1csc(-c2ccc3c(c2)OCO3)n1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 486072166 VTRLSMZSRGNLOH-UHFFFAOYSA-N 437.477 4.181 5 20 IIBD C[C@H]1Oc2ccc(NC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])cc2NC1=O 486359062 GYUIADIDMJOVAI-CQSZACIVSA-N 433.420 4.146 5 20 IIBD CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cc1Cl 486762337 YEBLIQIHKYBAET-UHFFFAOYSA-N 433.848 4.148 5 20 IIBD CCN(CC1CCN(c2ccccn2)CC1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 489287701 GUIDMTRTOXLHOY-MRXNPFEDSA-N 445.951 4.209 5 20 IIBD CN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@H](c1ccc(Cl)cc1)c1cnccn1 489978454 GKBBLYMREREWBX-OAQYLSRUSA-N 448.870 4.086 5 20 IIBD O=C(CN(Cc1cccnc1)Cc1ccc([N+](=O)[O-])cc1F)Nc1ccc(Cl)cc1 490538636 FGDRUFQMNLLWAP-UHFFFAOYSA-N 428.851 4.423 5 20 IIBD CCN(CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1)CC1CC1 490671548 OGSLSMQXUOMYOT-UHFFFAOYSA-N 425.476 4.170 5 20 IIBD CCNC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nc2ccccc12 496914194 CABRTHJXRFRIMB-UHFFFAOYSA-N 432.358 4.164 5 20 IIBD COC(=O)[C@@H]1C[C@@H](OC)CCN1Cc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 497200428 SBMORSWYMPDEGG-PXNSSMCTSA-N 430.526 4.207 5 20 IIBD C[C@H](c1ccccc1)N(C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)c1ccccc1 498068261 XODTZDVZQQZEIY-QGZVFWFLSA-N 431.448 4.115 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1ccc(NC(=O)c2ccco2)c(C)c1 498104611 ZBOUSQMJMZFSGY-AWEZNQCLSA-N 438.440 4.196 5 20 IIBD CC(=O)Nc1ccc(-c2noc(-c3cc4c(c([N+](=O)[O-])c3)OCO4)n2)cc1C(F)(F)F 499628791 WYABIPYMQITRLT-UHFFFAOYSA-N 436.302 4.018 5 20 IIBD O=c1c([N+](=O)[O-])cc(Cl)cn1Cc1nc(O)c2c(-c3ccccc3Cl)csc2n1 502119627 MPCKZLJAQUAMHF-UHFFFAOYSA-N 449.275 4.489 5 20 IIBD O=C(Nc1cc(F)c(I)c(F)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 502152437 YTDWHRDCHKVBFM-UHFFFAOYSA-N 443.147 4.211 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2cccc3c2OCCC3=O)cc1[N+](=O)[O-])c1ccccn1 503672727 SDVSJHOOWBRSJF-AWEZNQCLSA-N 432.436 4.380 5 20 IIBD CCOc1ccc([C@H](C)NCc2ccccc2CN2C[C@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] 504900004 PMJURZOQUQFLLW-OTWHNJEPSA-N 427.545 4.454 5 20 IIBD COc1cc(-c2nnc(SCc3c(F)cc([N+](=O)[O-])cc3F)o2)cc(OC)c1OC 505427315 LLLOUYPPGWVKCC-UHFFFAOYSA-N 439.396 4.241 5 20 IIBD O=c1c(Cl)c(N[C@@H](c2ccccc2)[C@H]2CCCO2)cnn1-c1ccc([N+](=O)[O-])cc1 505777637 ONAXEOIUWCDYJC-QUCCMNQESA-N 426.860 4.126 5 20 IIBD O=C(Nc1ccnc(Oc2ccccc2)c1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 511345821 RQCVXQARHXDOLJ-MRXNPFEDSA-N 438.465 4.087 5 20 IIBD CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 511903054 HWAAJUZLUQWSFU-UHFFFAOYSA-N 447.539 4.300 5 20 IIBD Cc1noc(C(C)(C)NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)n1 512199807 DQQYVHDQKQGECA-UHFFFAOYSA-N 429.864 4.217 5 20 IIBD Cc1c(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cnn1-c1cccc(Br)c1 512933730 LRIVOUFTMUGDKO-UHFFFAOYSA-N 443.301 4.166 5 20 IIBD CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)s1 513040006 FGKRABXCGBVCSZ-QWHCGFSZSA-N 445.570 4.490 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)N(Cc2cc(F)ccc2F)c2ccccc2)cc1[N+](=O)[O-] 513493879 DFYOSXXWMDYSEE-UHFFFAOYSA-N 446.431 4.124 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc([C@H](c3c(F)cccc3Cl)N3CCCCC3)n2)n1C 514891084 UQTLAKXXPPBTSF-HNNXBMFYSA-N 434.859 4.055 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1[N+](=O)[O-] 514909040 UNWZHLJEHWRPFB-UHFFFAOYSA-N 428.491 4.402 5 20 IIBD C[C@H](Nc1cccc(COc2ccc3c(c2)OCO3)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 515717790 VQZOIQBENOKPDL-HNNXBMFYSA-N 435.436 4.342 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1nc(-c2cccc(Br)c2)no1 517061013 RWAMKEQWOLWLOF-UHFFFAOYSA-N 446.261 4.291 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1ccc(N2CCCC2)c(F)c1)c1ccccc1[N+](=O)[O-] 518038495 MFFRMFZDKNBNFB-IBGZPJMESA-N 443.475 4.147 5 20 IIBD COc1ccc(CSCC(=O)Nc2cccc(OC[C@H]3CCCO3)c2)cc1[N+](=O)[O-] 518954653 DDKQKQGKJDFANC-GOSISDBHSA-N 432.498 4.033 5 20 IIBD C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)c2)C1 520145292 HKCSSOMKQJUWOM-MGPUTAFESA-N 446.525 4.346 5 20 IIBD COC(=O)[C@H](C)NC(=O)c1ccc(N[C@H]2CCC(C)(C)c3ccccc32)c([N+](=O)[O-])c1 520152843 JAQBKLMDPCUKBC-KSSFIOAISA-N 425.485 4.111 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)cc1C 522359489 AZHSOTSSAPPHQO-GDLZYMKVSA-N 444.534 4.320 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)cc([N+](=O)[O-])c1 522995614 PGQMZPKKSFBEJE-UHFFFAOYSA-N 447.875 4.158 5 20 IIBD COC(=O)c1ccc(Br)c(C)c1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 524769493 XALNIMJRXRHFOL-UHFFFAOYSA-N 448.273 4.279 5 20 IIBD Cc1cccc(N(C)C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n1 525149638 ZVRNBZMQNQAMDO-UHFFFAOYSA-N 427.464 4.356 5 20 IIBD O=C(Nc1cccc(N2C(=O)CNC2=O)c1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 532261858 RQGVPGVYHQRDER-UHFFFAOYSA-N 448.460 4.055 5 20 IIBD CCCCN1C(=O)CC[C@@H](C(=O)N(C)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1OC 532825058 BJDKHOIZDJRVPO-OFNKIYASSA-N 439.512 4.346 5 20 IIBD COc1ccc(NC(=O)CN[C@H](C)c2ccc(-c3csc(C)n3)cc2)c([N+](=O)[O-])c1 537052447 FVJHVFJFUBHPLV-CYBMUJFWSA-N 426.498 4.325 5 20 IIBD CCCN1C(=O)CCc2cc(NC(=O)NCCCNc3ccc(C)cc3[N+](=O)[O-])ccc21 538033375 ZPEWTLZXNLGYPE-UHFFFAOYSA-N 439.516 4.216 5 20 IIBD COc1cc(C(=O)N2CCc3sc(-c4csc(C)n4)cc3C2)cc([N+](=O)[O-])c1OC 539031587 IQIHIWPNHYTMHT-UHFFFAOYSA-N 445.522 4.304 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@H](Cc2ccccc2)c2sccc2C)cc1[N+](=O)[O-] 541147270 YUYNFKIRSWNSDL-QGZVFWFLSA-N 439.493 4.012 5 20 IIBD COc1cccc([C@H]2[C@H](c3ccccc3)CCN2C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 541385560 FTOOTNTUCFSLJY-GOTSBHOMSA-N 445.475 4.299 5 20 IIBD Cc1c([C@H](C)NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 541611010 CSAFULWWAYLJFI-LBPRGKRZSA-N 431.855 4.171 5 20 IIBD CC[C@H]1Oc2cc([C@@H](C)Nc3ncc([N+](=O)[O-])c(C)c3Br)ccc2NC1=O 542508469 TUTVRXHQIICPHH-QMTHXVAHSA-N 435.278 4.343 5 20 IIBD COc1c(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cccc1C(N)=O 543874475 YIJUVPBQRPQEED-UHFFFAOYSA-N 441.827 4.400 5 20 IIBD O=C(NCc1ccc(OCCO)cc1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 544559263 UCNIFUOJNCDJIA-UHFFFAOYSA-N 430.526 4.178 5 20 IIBD O=C(c1cc(Cl)cc(Cl)c1)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 544685602 LMLMLADYBQYCMU-UHFFFAOYSA-N 434.283 4.130 5 20 IIBD COc1cc(-c2nc(Cc3ccc(OCc4cccnc4)cc3)no2)cc([N+](=O)[O-])c1OC 545052196 YZYFBMARDBHJML-UHFFFAOYSA-N 448.435 4.227 5 20 IIBD COCCOc1c(Cl)cc(NC(=O)NCCc2ccccc2[N+](=O)[O-])cc1Cl 548395304 PYOXYNXEUXXZAG-UHFFFAOYSA-N 428.272 4.291 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(Cc3nc(C(C)C)no3)cc2)c1C 549934847 JRNVQYNWONPCNR-UHFFFAOYSA-N 430.486 4.110 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1c(F)cccc1SC 553066151 PARPHYDTJNKMMB-UHFFFAOYSA-N 438.502 4.041 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 554409833 SMNOHZAAXCEADE-NUJGCVRESA-N 433.411 4.233 5 20 IIBD Cc1cc(CN(C)C)cc(NCc2cc(I)cc([N+](=O)[O-])c2)c1 564407499 GJXXYBHGVGIDTO-UHFFFAOYSA-N 425.270 4.182 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H]2CCCOc3cc(F)ccc32)cc1[N+](=O)[O-] 578891056 HVIUULHYVKIYMQ-KRWDZBQOSA-N 429.448 4.000 5 20 IIBD Cc1cc(C)nc(Sc2ccc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)cc2)n1 591355313 COFSAVGQFPFETQ-UHFFFAOYSA-N 438.465 4.176 5 20 IIBD COc1ccc(Cc2nnc(S[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)o2)cc1 596662822 ZZGKYNIWHZVQBT-CYBMUJFWSA-N 428.470 4.005 5 20 IIBD COc1cc(OC)c(C2CCN(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2)c(OC)c1 603643414 HPKQBTQQAKNGHW-UHFFFAOYSA-N 429.473 4.341 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1nc(N2CCCC2)ncc1Cl 603749976 OVECBSQGPYQIKD-UHFFFAOYSA-N 430.877 4.014 5 20 IIBD CCOc1ccc(CN(C(=O)Cn2ccc([N+](=O)[O-])n2)c2ccc(OC)c(Cl)c2)cc1 603950752 YOIGGOXVTNMJDK-UHFFFAOYSA-N 444.875 4.085 5 20 IIBD C[C@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1)c1cccc([N+](=O)[O-])c1 603966531 FTUIPPLAQLAKCO-KRWDZBQOSA-N 427.464 4.393 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3nc(-c4ccncc4)cs3)cc2)c(C)c1[N+](=O)[O-] 604468236 NQEAYPFNVDTBOF-UHFFFAOYSA-N 434.481 4.227 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 608874863 FFDCUXIZDPPEIQ-UHFFFAOYSA-N 448.766 4.118 5 20 IIBD COc1ccc(CC(=O)Nc2ccc(I)cc2Cl)cc1[N+](=O)[O-] 609011156 DDZUECJAOGILKN-UHFFFAOYSA-N 446.628 4.043 5 20 IIBD CCOC(=O)c1cc(C(=O)N(Cc2ccccn2)Cc2ccccc2C)cc([N+](=O)[O-])c1 609154086 VRRUNCZHJJYXAV-UHFFFAOYSA-N 433.464 4.318 5 20 IIBD COCCOC1CCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 609737213 SADDXFMEQFNEPS-UHFFFAOYSA-N 430.526 4.322 5 20 IIBD O=[N+]([O-])c1cnc(Sc2nnc(CN3CCCC3)n2Cc2ccccc2)c(Cl)c1 609890771 PNFPVMDIFIOEMH-UHFFFAOYSA-N 430.921 4.030 5 20 IIBD O=[N+]([O-])c1cccc(N(Cc2noc3c2CCCC3)S(=O)(=O)c2ccc(F)c(F)c2)c1 609894164 IXDGITKXTFVONS-UHFFFAOYSA-N 449.435 4.135 5 20 IIBD Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 609941821 OZUUESGFDNYMSH-LBPRGKRZSA-N 441.431 4.374 5 20 IIBD C[C@@H](Cc1ccccc1F)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 609966190 NUNGASKEIWXVCS-AWEZNQCLSA-N 439.409 4.280 5 20 IIBD COc1cc(CN2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OC(F)F 610004474 LMNHOFADWXPFAN-CQSZACIVSA-N 438.402 4.439 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1occc1CN1C(=O)Cc2ccccc21 610070535 HWAIHSJXSNOJNH-UHFFFAOYSA-N 433.464 4.030 5 20 IIBD O=C(NC[C@@H](CO)Cc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611210386 GOGZLXCLPJCCJT-INIZCTEOSA-N 432.517 4.350 5 20 IIBD Cc1[nH]ccc(=NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1Cl 611561975 JZNAJWXHAIVINC-UHFFFAOYSA-N 442.825 4.247 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CCN(c2nccs2)CC1 612523752 CFOJWYZYVHWJAI-UHFFFAOYSA-N 432.571 4.296 5 20 IIBD Cc1cc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n(-c2cccc(C(F)(F)F)c2)n1 727247628 GMPWOLBKKLVIFG-UHFFFAOYSA-N 444.366 4.048 5 20 IIBD CC(C)CNC(=O)c1cccc(COC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1 727501596 DDRJWHSADMBFDM-UHFFFAOYSA-N 435.274 4.100 5 20 IIBD O=C(OCc1coc(-c2ccc(F)c(F)c2)n1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 728616099 DTWJZYCRMIUNPU-UHFFFAOYSA-N 443.406 4.488 5 20 IIBD COc1ccc(Cl)cc1CC(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 730032666 BYZCMHMXZHUBRY-JTQLQIEISA-N 427.240 4.023 5 20 IIBD O=C(NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1ccc2ccccc2c1 731285725 JIOXLIDRHBONEI-DLBZAZTESA-N 430.869 4.010 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCC(=O)N(C2CCC(C)CC2)C2CC2)cc1SC 733483957 GDOAEPRYHUPGHQ-UHFFFAOYSA-N 436.530 4.052 5 20 IIBD C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)c1nc2ccccc2s1 734156966 YHBGFCCJZYNSNQ-SECBINFHSA-N 442.316 4.007 5 20 IIBD O=C(OCCn1cnc2ccccc2c1=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 735332888 HUMORUQBDBLDNU-UHFFFAOYSA-N 447.472 4.313 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NS(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 743266900 GWVBGHCJCLOICH-GFCCVEGCSA-N 439.465 4.120 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C)c(C)c2)c([N+](=O)[O-])cc1OC(F)F 744532933 FURCTFQWWPKVBR-LBPRGKRZSA-N 438.383 4.006 5 20 IIBD CN(Cc1c(F)cccc1Cl)C(=O)COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 745564423 BUCCMPZBAPVCSA-UHFFFAOYSA-N 448.756 4.222 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2cccc(-c3csc(C)n3)c2)c([N+](=O)[O-])c1 745672857 KFYPYMRGYZLJKP-UHFFFAOYSA-N 441.465 4.221 5 20 IIBD CCc1nc(C)c(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)s1 747706351 XMPLDSJHQQTAAG-INIZCTEOSA-N 431.514 4.164 5 20 IIBD C[S@](=O)Cc1cccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)c1 749434488 CGEKAEVCZDPINP-DEOSSOPVSA-N 431.695 4.142 5 20 IIBD CCOc1ccc(NC(=O)CN2CCCCC[C@H]2C[C@H](O)c2cccs2)c([N+](=O)[O-])c1 750838688 QMVQSISSUKNBNO-JXFKEZNVSA-N 447.557 4.362 5 20 IIBD COc1c([N+](=O)[O-])cc(NC[C@@H]2CCCO[C@H]2C(C)C)c([N+](=O)[O-])c1Br 751967860 IHOWUWXQCZQWGB-BONVTDFDSA-N 432.271 4.137 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] 752416489 JHKLSVRXJPOXSA-APWZRJJASA-N 427.501 4.216 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccccc1)C[C@H](O)c1ccco1 752769885 UOIXXUQZHJOVAW-JXFKEZNVSA-N 426.494 4.431 5 20 IIBD Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 753045443 FFWUNSYNZWOYFM-APWZRJJASA-N 444.329 4.422 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)C[C@H](O)c1cccs1 755937820 MJNJWMXJKDLMMP-FQEVSTJZSA-N 425.510 4.144 5 20 IIBD C[C@H](OC(=O)c1ccc(F)cc1[N+](=O)[O-])C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 758113872 JLGGKPYXDOXEHV-UWVGGRQHSA-N 429.231 4.463 5 20 IIBD CC(C)C(=O)Nc1ccc(Cl)c(C(=O)O[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 759949667 OKRPTIWSLMKQBJ-IRXDYDNUSA-N 434.880 4.380 5 20 IIBD CC(C)n1cc2cc(NS(=O)(=O)c3ccc(Br)c([N+](=O)[O-])c3)ccc2n1 760357804 ZDEACOCKFKZOFZ-UHFFFAOYSA-N 439.291 4.089 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cnn(-c2ccccc2)c1Br 760436548 MKYBTAZUYNFXLT-UHFFFAOYSA-N 449.692 4.169 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)O[C@H]3CCO[C@H](C4CCOCC4)C3)cc2[N+](=O)[O-])C1 763149245 PBBIZTFVBPRHQR-OITUCODZSA-N 446.544 4.208 5 20 IIBD CC(C)(C)OC(=O)CCC(=O)Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1 764749389 SMALEUFGNIMDBU-UHFFFAOYSA-N 439.420 4.396 5 20 IIBD O=C(O[C@H](C(=O)NCc1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])c2cccnc12 766230210 FLHBOUJDEOOXLC-QHCPKHFHSA-N 441.443 4.358 5 20 IIBD O=C(NC[C@@H](O)c1cccnc1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 768291629 AOERZERRQUKTTQ-GOSISDBHSA-N 429.885 4.258 5 20 IIBD Cc1cc(CN(C)S(=O)(=O)c2csc([N+](=O)[O-])c2)cc(C)c1OCC(F)(F)F 768812617 LHZXWEXUZXUQQY-UHFFFAOYSA-N 438.449 4.035 5 20 IIBD COc1ccc(NC(=O)[C@H](OC(=O)c2cccc(OC)c2[N+](=O)[O-])c2ccccc2)cc1 769599949 ARWMYSGQDDGMAY-OAQYLSRUSA-N 436.420 4.149 5 20 IIBD C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 769638879 LBGSXPQVQAAKGC-CQSZACIVSA-N 431.514 4.389 5 20 IIBD COc1cc(CNc2ccc(CN(C)C)c(F)c2)c([N+](=O)[O-])cc1OCC(F)(F)F 770603462 YLEOWYXTTWMNQJ-UHFFFAOYSA-N 431.386 4.357 5 20 IIBD Cc1nnc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)o1 771563347 AZXWKKVQQIXVPD-INIZCTEOSA-N 449.511 4.236 5 20 IIBD CCOc1cccc2[nH]cc(Cc3noc(CCc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])n3)c12 771670456 NFVYTYRVWMRZQO-UHFFFAOYSA-N 437.412 4.142 5 20 IIBD C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 775189657 CUFQGFNNRFKEBE-STQMWFEESA-N 441.469 4.304 5 20 IIBD O=[N+]([O-])c1ccc([C@H](O)CSc2nnc(-c3cccs3)n2Cc2ccco2)cc1 776276114 GZQTTWDQODHFLA-MRXNPFEDSA-N 428.495 4.382 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 777301182 HYHIMOZGQPEJKT-KRWDZBQOSA-N 446.525 4.194 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1ncc[nH]1 777458857 NZSBNGLRXVUAQH-OAQYLSRUSA-N 442.479 4.077 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)Nc1ccc(F)cc1Cl 778891320 DYDMGRQNTJALIE-MRVPVSSYSA-N 432.738 4.173 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)[C@H]1CCN(Cc2ccccc2)C1 779009300 FUGDGACXPDAUIP-CTNGQTDRSA-N 436.556 4.226 5 20 IIBD C[C@@H](OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)NC[C@H](C)c1ccccc1 781260210 STKOXBIKXYUQIW-DLBZAZTESA-N 428.488 4.147 5 20 IIBD CCOc1cc(C(=O)O[C@H](c2ccncc2)c2cccc(OC)c2)c([N+](=O)[O-])cc1OC 782451081 ZNIPPZZLENIHCR-JOCHJYFZSA-N 438.436 4.352 5 20 IIBD O=C(NCCCOc1ccc(Cl)cc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 783318287 ZJCKSDIFGZXVBJ-UHFFFAOYSA-N 446.674 4.079 5 20 IIBD CCCn1c(SCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nnc1-c1cccc(C)c1 783720059 SHAMDRWHUMJJAU-UHFFFAOYSA-N 446.554 4.138 5 20 IIBD CC(C)c1ccc(C(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1[N+](=O)[O-] 784501000 OWEGCGIUKSQQEM-UHFFFAOYSA-N 428.445 4.095 5 20 IIBD CCOC(=O)N1[C@H](c2ccc(C)o2)CC[C@@H]1C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1 786143655 BIHHYVYZWZKXCD-JKSUJKDBSA-N 443.412 4.043 5 20 IIBD CC(=O)[C@H](Cc1cccc(Cl)c1F)OC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 786783076 QSFAPCLVRRUOBV-SFHVURJKSA-N 446.818 4.058 5 20 IIBD O=C(NC[C@H](O)c1c(F)cccc1Cl)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 787432504 QYVKFAKNKLZGKP-FQEVSTJZSA-N 444.846 4.430 5 20 IIBD CCc1c(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cnn1-c1cccc(C(F)(F)F)c1 790420562 RPOBCMLSLIVXCU-UHFFFAOYSA-N 446.432 4.224 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cn2)c(C)c1[N+](=O)[O-] 790635788 WKKHOAZXZXKHAF-UHFFFAOYSA-N 444.425 4.108 5 20 IIBD Cc1cc(C)cc(OCc2noc(COC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])n2)c1 790746392 RSWFYMGDRMABIH-UHFFFAOYSA-N 449.822 4.252 5 20 IIBD CN(Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccccc1 791029556 GGTYUASHCUYOKZ-UHFFFAOYSA-N 446.507 4.320 5 20 IIBD Cc1ccc(C(=O)CCC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cc1 791175337 YUEFCHUXXBXRHS-UHFFFAOYSA-N 431.286 4.214 5 20 IIBD COc1ccc(Br)cc1[C@H]1CCCN1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 794627280 RXJOBDDPMODJOC-CQSZACIVSA-N 448.273 4.068 5 20 IIBD CC(C)c1[nH]nc(C(=O)OCc2nnc(-c3ccc(Cl)cc3Cl)o2)c1[N+](=O)[O-] 796256725 NFNHWRJFKJGNCN-UHFFFAOYSA-N 426.216 4.155 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NC[C@@H](c2cccs2)N2CCC(C)CC2)c1[N+](=O)[O-] 796448376 IZPLBVFRFSBUML-KRWDZBQOSA-N 434.518 4.250 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)OCc2cnc(Cl)cn2)cc1[N+](=O)[O-] 798564745 PVGPHSBBIMTJAR-UHFFFAOYSA-N 443.868 4.348 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 800145294 UGMYEQMBVSUOBV-UHFFFAOYSA-N 443.456 4.120 5 20 IIBD COc1ccc(CN(CC2CC2)C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c(OC)c1 800685642 MFPKLNJAWJDEOY-UHFFFAOYSA-N 439.512 4.265 5 20 IIBD CSc1cc(O)ccc1NC(=O)c1cc([N+](=O)[O-])cc(I)c1C 801235172 JZCZJDIIQUHZHH-UHFFFAOYSA-N 444.250 4.188 5 20 IIBD C[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)C1(c2ccccc2)CC1 808499661 HTFSWLCIHAXFMY-SFHVURJKSA-N 425.484 4.387 5 20 IIBD CSc1cccc(-c2nc(C[C@@](O)(c3ccc(C)o3)C(F)(F)F)no2)c1[N+](=O)[O-] 809450950 FVXBSJGZWPRBIS-MRXNPFEDSA-N 429.376 4.261 5 20 IIBD O=[N+]([O-])c1cc(F)c(S(=O)(=O)N(Cc2cscn2)c2ccccc2)cc1Cl 809816880 SKOVNXVLVBMEDQ-UHFFFAOYSA-N 427.866 4.239 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1OS(=O)(=O)c1cnc2onc(-c3ccccc3)c2c1 810044432 YOQYAJXFSBDLQJ-UHFFFAOYSA-N 431.813 4.219 5 20 IIBD Cc1cc(C(F)(F)F)ncc1NC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] 813275512 HVATVVDAMCWTMW-UHFFFAOYSA-N 447.211 4.154 5 20 IIBD CN(C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1)C(=O)OC(C)(C)C 815104467 KZWIVENYXXXAFG-CYBMUJFWSA-N 445.438 4.333 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CCN1C(=O)OC(C)(C)C 816507720 POMOETSMLLKCGG-NEPJUHHUSA-N 431.411 4.131 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CC[C@H]21 816998034 DUKMFKTVOWBNPK-VGOFRKELSA-N 447.535 4.153 5 20 IIBD O=C(Nc1nc(CN2CCCCC2)cs1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 822736051 KRUZTDKPISBIDN-UHFFFAOYSA-N 429.546 4.280 5 20 IIBD C[C@@H](NC(=O)COC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl 842052468 WSMZWFQMINJAJC-GFCCVEGCSA-N 440.283 4.124 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1c1noc(-c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)n1 904706166 OACFXWUBDMFSIC-INIZCTEOSA-N 444.423 4.042 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCc3ccc([C@H](C)O)cc3)cc2[N+](=O)[O-])n1 920270964 CUHTZVDQUMYLMJ-ZDUSSCGKSA-N 429.523 4.494 5 20 IIBD C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Br)CC[C@H]1NC(=O)OC(C)(C)C 1116673855 NXVFRORYBAESRV-BLLLJJGKSA-N 428.327 4.092 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc(F)c(NC(=O)OC(C)(C)C)c2)cc([N+](=O)[O-])c1 1317942800 SDBLRVBMLJSHMZ-UHFFFAOYSA-N 433.392 4.120 5 20 IIBD CCCN(Cc1nc(O)c2sccc2n1)C(=O)[C@H](CC)Cc1ccc([N+](=O)[O-])cc1 1321171761 MQISNFMDEMFJNC-OAHLLOKOSA-N 428.514 4.313 5 20 IIBD Nc1c(C(=O)N2CCC(=Cc3ccccc3F)CC2)cc(Br)cc1[N+](=O)[O-] 1321447130 XPDWWWZFTRUYFH-UHFFFAOYSA-N 434.265 4.398 5 20 IIBD Cc1c(COC(=O)c2nn(-c3ccccc3F)cc2Br)cccc1[N+](=O)[O-] 1323974850 SVKADSRVOIDZTP-UHFFFAOYSA-N 434.221 4.348 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)[C@H]3C[C@]3(F)Cl)CCC2)cc1 1785795520 RZNWDYZLSKJPMY-XMSQKQJNSA-N 445.878 4.196 5 20 IIBD Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])o4)CCC3)cc2)nc1 1786864853 QPPJYHNRASGQJQ-UHFFFAOYSA-N 448.479 4.272 5 20 IIBD CNc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])o4)CCC3)cc2)cc1 1787994573 JAULTSKEBSRELO-UHFFFAOYSA-N 434.452 4.291 5 20 IIBD O=C(CCC1CCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1[N+](=O)[O-] 1804338032 BDNGZMPLEANHLB-OHMOXFQQSA-N 425.529 4.217 5 20 IIBD C/C=C(\C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(F)ccc([N+](=O)[O-])c2C)[nH]n1 1821892544 IUBZUFMQFLLPNV-SXIQUOTHSA-N 429.452 4.038 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1)[C@@H]1C[C@H]1c1ccccc1 1822571529 COTXILBDBZQASJ-LZLYRXPVSA-N 449.467 4.021 5 20 IIBD CC/C=C(\C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830622069 BWIJBDZJKUICRY-FALBMNKOSA-N 431.508 4.324 5 20 IIBD COc1cc(C(=O)O[C@H](C(=O)Nc2ccccc2)c2ccccc2)c([N+](=O)[O-])cc1OC 11322260 XRASNTTXVPXVTL-NRFANRHFSA-N 436.420 4.149 5 20 IIBD CCc1ccc([C@@H](CNC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)N(C)C)cc1 11604043 NBKBPZPZYVDWDZ-HSZRJFAPSA-N 449.555 4.052 5 20 IIBD C[C@@H](Sc1nc(-c2ccc(Br)cc2)n[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 21691762 XNQILSBGIBXSQS-SNVBAGLBSA-N 448.302 4.262 5 20 IIBD Cc1cc(I)ccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 36626198 SGMPORVAMNVQEK-UHFFFAOYSA-N 428.251 4.239 5 20 IIBD CC1CCN(C(=O)C2CCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])CC2)CC1 59393843 VXHMLWBSZGZMOC-UHFFFAOYSA-N 435.524 4.301 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N(Cc1cccs1)c1ccc(F)cc1 59781511 BCTJELPYTPBJJK-UHFFFAOYSA-N 441.484 4.479 5 20 IIBD Cc1ccc(Cn2nccc2NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 61442859 LARLNXAYFDPCNW-UHFFFAOYSA-N 437.378 4.201 5 20 IIBD COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)Cc1ccc([N+](=O)[O-])cc1)CC2 69064012 XOTYOAVCWHSVCZ-VWLOTQADSA-N 432.476 4.329 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 108375012 SIOKZLSQIVLADN-UHFFFAOYSA-N 447.535 4.357 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C 195711595 CSHLBKAZVBRVNH-UHFFFAOYSA-N 434.374 4.046 5 20 IIBD O=[N+]([O-])c1cnc(Sc2nnc(Cc3cccs3)n2C2CC2)c(Br)c1 301509722 CSKLXZSPGGNWGA-UHFFFAOYSA-N 438.332 4.482 5 20 IIBD O=C(Nc1ccc2ccc(Cl)cc2n1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 410393108 SUPAMDTXLAEFHV-CQSZACIVSA-N 430.873 4.101 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1nc(-c2cc(C)ccn2)n[nH]1 428378481 XADDADHQMGJSFY-ZDUSSCGKSA-N 426.502 4.076 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC(n3ccc(C)n3)CC2)c([N+](=O)[O-])c1 434494107 CGUXWFLAPPVZAG-QHCPKHFHSA-N 433.512 4.425 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2nc([C@H]3C[C@H]4CC[C@H]3C4)cs2)cc1[N+](=O)[O-] 434809994 QYPRKOWCZUIHQR-VRKREXBASA-N 428.514 4.079 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCC(N2CCCCC2)CC1 436173213 BNAMGUXEMOIOEJ-UHFFFAOYSA-N 425.479 4.050 5 20 IIBD Cc1sc2nc(CCC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)nc(O)c2c1C 437467801 BZAUAXJGULOFRT-UHFFFAOYSA-N 426.498 4.046 5 20 IIBD CO[C@H](C)c1nc(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cs1 438981921 DFQMXDVPKQQGGF-UONOGXRCSA-N 441.513 4.257 5 20 IIBD Cc1nn(CCC(=O)Nc2ccc(Cl)cc2-c2nc(CC(C)C)no2)c(C)c1[N+](=O)[O-] 439647515 NCFYNBBMDRDAEE-UHFFFAOYSA-N 446.895 4.339 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 439885558 ZSIJFGDSHXUDLU-UHFFFAOYSA-N 443.485 4.084 5 20 IIBD CC[C@@H](C)c1ccc(NC(=O)Cc2noc(-c3cc(OC)c(OC)c([N+](=O)[O-])c3)n2)cc1 445273293 NHYBTHKGLCHTMW-CYBMUJFWSA-N 440.456 4.357 5 20 IIBD CC(C)c1nc2ccccc2n1Cc1noc(-c2cc(O)nc3ccc([N+](=O)[O-])cc23)n1 445666031 SVWZTCWWRXAUIJ-UHFFFAOYSA-N 430.424 4.420 5 20 IIBD CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br 445691572 LNODHTACHWNEHA-UHFFFAOYSA-N 447.207 4.457 5 20 IIBD CC(C)(NC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc(OC(F)(F)F)cc1 446894418 MMQXFGFKBVNKDQ-UHFFFAOYSA-N 437.378 4.104 5 20 IIBD CCOc1ccc(C2(CN[C@@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)CCOCC2)cc1 447537688 XSWDASOHYJSYHK-NHCUHLMSSA-N 428.533 4.012 5 20 IIBD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NC[C@@H]2CCN(c3cccc(Br)c3)C2)n1 447544672 VKKUOGKSZQVGDY-KFKAGJAMSA-N 448.365 4.154 5 20 IIBD O=C(Nc1ccccc1)N1CCC[C@@H](C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)C1 461705860 SNRBREIMIRDMFZ-DYESRHJHSA-N 440.525 4.113 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1 462556272 SXLDGEGPRSKQSZ-GUYCJALGSA-N 445.324 4.348 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl 462774798 PAKXQMNPAQYQDN-HOCLYGCPSA-N 441.311 4.026 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1CNC(=O)Nc1ccccc1 462903010 BHBJOSFHFZMLCH-DENIHFKCSA-N 438.528 4.366 5 20 IIBD COc1ccc(CN2CC[C@](CO)(c3ccccc3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 463037645 UTYWKQDTWJDNSA-SANMLTNESA-N 448.519 4.318 5 20 IIBD CC(C)NC(=O)c1ccc(N2CCN([C@H](C)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 463072532 VYNOFTAXFXONGV-MRXNPFEDSA-N 430.936 4.270 5 20 IIBD O=[N+]([O-])c1cc(I)ccc1N1CC[C@H](COCc2ccccc2)C1 463085348 YPTSDCBHHXIOPE-HNNXBMFYSA-N 438.265 4.243 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(COc3ccc(-c4noc([C@H]5CCCO5)n4)cc3)o2)cc1 463257435 HYXZCLYKAMXMJQ-QGZVFWFLSA-N 435.396 4.125 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C[C@H]1C[C@H]2C=C[C@H]1C2)C1CCN(C)CC1 464688253 IEZBOKFJWLQAGF-YDZRNGNQSA-N 429.586 4.210 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 466510865 WGZSDCUSKRIVCH-IBGZPJMESA-N 433.873 4.214 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1OCC1CCC1)c1cccc([N+](=O)[O-])c1 466814855 SYDURALWMOBKIV-ZDUSSCGKSA-N 431.876 4.243 5 20 IIBD CCOc1cc(NC(=O)N[C@@H](C)c2ccc(-n3cccn3)cc2)c([N+](=O)[O-])cc1OCC 466960211 SUYXAIVSCKSQJT-HNNXBMFYSA-N 439.472 4.461 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 466962731 XYQNMEQXSSFHGZ-CYBMUJFWSA-N 437.543 4.089 5 20 IIBD COC(=O)COc1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c2ccccc12 468196811 NTAICFBOTJYOJH-UHFFFAOYSA-N 435.436 4.126 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1C[C@H]1c1ccc(Br)s1 474647495 CUMKOTGGIVORLT-ZYHUDNBSSA-N 430.711 4.428 5 20 IIBD O=C(NCCC1CCN(CC(F)(F)F)CC1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 475230346 GSWWGNWLPSEUPK-UHFFFAOYSA-N 442.360 4.400 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cc(Cl)ccc1-c1nc(C2CC2)no1 476434427 XIBYVSFMWGLCKA-UHFFFAOYSA-N 434.861 4.285 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3cc4cc(C)ccc4nc3C)CC2)ccc1[N+](=O)[O-] 477372084 KDHFYZUDYLFFGR-UHFFFAOYSA-N 434.496 4.121 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)C(=O)N1Cc2ccccc2C1 477493619 SYVDQDBKWCZXLW-INIZCTEOSA-N 431.448 4.048 5 20 IIBD COc1cc(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2C)cc([N+](=O)[O-])c1C 478055017 ABCYDFYPSCWQFG-UHFFFAOYSA-N 435.484 4.457 5 20 IIBD COc1cc(C(=O)NCc2ccc(F)cc2C(F)(F)F)c([N+](=O)[O-])cc1OC(F)F 479579130 NFRMDDYTPVVYSZ-UHFFFAOYSA-N 438.280 4.293 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1SC 482050473 CZNQZTZSQUEHIQ-UHFFFAOYSA-N 429.498 4.204 5 20 IIBD CN(c1ccccc1)c1ccc(CN2CCS(=O)(=O)c3ccccc3C2)cc1[N+](=O)[O-] 482514189 YQWAPXAWDYCROT-UHFFFAOYSA-N 437.521 4.152 5 20 IIBD COc1cc(C(=O)NCCc2c(C)cccc2C)c([N+](=O)[O-])cc1OCc1cscn1 484892964 TYNIETUWBLQJNZ-UHFFFAOYSA-N 441.509 4.228 5 20 IIBD COc1cc(CCNC(=O)c2nc(C)sc2-c2ccccc2)c([N+](=O)[O-])cc1OC 485099149 YGLOHKZFLBSRFR-UHFFFAOYSA-N 427.482 4.016 5 20 IIBD CC(=O)c1cc(NC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])ccc1F 486785806 KCEFPALDLVYZEQ-SFHVURJKSA-N 431.420 4.141 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(N3CCC[C@H](c4nc(-c5ccc(F)cc5)no4)C3)n2)cc1 486966770 KNUBXWBEIJNBBV-HNNXBMFYSA-N 436.403 4.218 5 20 IIBD CCn1c(SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)nnc1-c1ccc(C)cc1 488928324 GDMZJHMGNOSQQN-UHFFFAOYSA-N 439.497 4.272 5 20 IIBD Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3n[nH]c(-c4cccc([N+](=O)[O-])c4)n3)c12 490372617 WBQBMMCFZMQOHT-UHFFFAOYSA-N 441.407 4.144 5 20 IIBD O=C(C1CCC(N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1)N1CCSCC1 491060772 ORVVDIOWHPNTQH-POOLCLQXSA-N 439.581 4.408 5 20 IIBD Cn1c(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)nc2cc(Cl)ccc21 491414256 ODIHNRMJIOLIRC-UHFFFAOYSA-N 430.895 4.011 5 20 IIBD COc1ccc(CN(Cc2ccccc2)C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1 491645128 GHOYMTWZTGHVIZ-UHFFFAOYSA-N 443.463 4.027 5 20 IIBD COc1ccc(OC)c(NC(=O)C[C@@H](C)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 494530247 WSRYDOATYRDABP-GFCCVEGCSA-N 441.406 4.138 5 20 IIBD COC(=O)[C@H]1C[C@H](OC)CCN1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 497145364 LHECIPIQOKVUIN-IEBWSBKVSA-N 434.876 4.193 5 20 IIBD COc1cccc(C2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Br)CC2)c1 498651056 DOALZOBXFGCREI-UHFFFAOYSA-N 448.317 4.184 5 20 IIBD CC1CCC(NS(=O)(=O)c2ccc(N(C)[C@H](C)c3cccnc3)c([N+](=O)[O-])c2)CC1 498925750 CEKZXHHDLIEUFK-UPTPFMHGSA-N 432.546 4.044 5 20 IIBD Cc1ccc(C(=O)N2CCOC[C@@H]2c2c(C)nn(-c3ccccc3F)c2C)cc1[N+](=O)[O-] 501192299 JCWUCEYXOOFUJP-OAQYLSRUSA-N 438.459 4.059 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N[C@@H](CCCO)c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 501934762 XUYGZIUKKHLVAA-UTKZUKDTSA-N 434.496 4.407 5 20 IIBD CC[C@@H](NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1OC(F)F 502644581 QDKFFEWNRKMHHX-GOSISDBHSA-N 434.443 4.179 5 20 IIBD O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@@H]2CCOc3c(-c4ccccc4)cccc32)cc1 503455101 LHLNUWZWYBBKQB-JOCHJYFZSA-N 438.505 4.248 5 20 IIBD C[C@@H]1Oc2ccc(NC(=O)c3ccc(N[C@@H](C)c4ccccn4)c([N+](=O)[O-])c3)cc2NC1=O 506039770 CDONNGNFVZSCOI-KBPBESRZSA-N 447.451 4.135 5 20 IIBD CN(CC(=O)Nc1ccccc1Br)Cc1cc([N+](=O)[O-])ccc1OC(F)F 506767896 QTVUEEFXWYMUBR-UHFFFAOYSA-N 444.232 4.029 5 20 IIBD Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 508523727 ZBLBIWQQYJFFRH-UHFFFAOYSA-N 446.467 4.093 5 20 IIBD CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)C1 508814912 YTOKIGKDLJWBTC-WMZOPIPTSA-N 437.496 4.049 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CC3(CCOCC3)[C@H]2C2CC2)cc1[N+](=O)[O-])c1ccccn1 515181068 YDJUNINKGIOYED-OPAMFIHVSA-N 436.512 4.194 5 20 IIBD CC(=O)Nc1ccc(C)c(NC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 515412709 ZCGKLNHITHRPKS-UHFFFAOYSA-N 439.394 4.114 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](CN2CCC(C)CC2)C1 519191442 XNKOGSLGDMNEOE-MRXNPFEDSA-N 438.366 4.250 5 20 IIBD O=C(CNc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 520111743 RSCBUUFCFRWWAM-UHFFFAOYSA-N 430.892 4.361 5 20 IIBD C[C@H]1C[C@@H](N(C)c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CCN1Cc1ccccc1 523088654 UWLKRPHLHLUTPT-RXVVDRJESA-N 447.539 4.049 5 20 IIBD CN1CCC(Nc2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 523548537 KGOQZGAXXXXQIJ-UHFFFAOYSA-N 433.306 4.116 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)[C@@H](c1ccncc1)c1ccc(Cl)cc1 531141802 LFVSZQDPMGYRHN-LJQANCHMSA-N 431.901 4.362 5 20 IIBD C[C@H](N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccncc2)cc1 531717630 REOUCWKXTDZSKG-SJORKVTESA-N 447.495 4.310 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 532707349 YTZGPJBDPMGMHV-NFBKMPQASA-N 431.496 4.164 5 20 IIBD O=C(Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)Nc1ccc(Br)cc1F 537070171 SRGTZZCEYJRTRC-UHFFFAOYSA-N 427.617 4.138 5 20 IIBD O=[N+]([O-])c1cc(Cl)c2c(cnn2Cc2noc(Cc3ccc(Br)cc3)n2)c1 538148428 UNQGSBPWDSILAD-UHFFFAOYSA-N 448.664 4.383 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2ccc[nH]2)cc1 538219487 MYGSEFZRDYARIY-UHFFFAOYSA-N 425.466 4.497 5 20 IIBD Cc1ccc(CCC2CCN(C(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)CC2)cc1 538506999 UNVRSTKQNRRBBQ-UHFFFAOYSA-N 437.540 4.225 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)n(-c2cccc(F)c2)n1 539538929 QXLVWPLPKZVSJX-UHFFFAOYSA-N 430.461 4.219 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(OCC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)n1 541983505 HAPDWSOFSOBTHK-HNNXBMFYSA-N 442.522 4.486 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)cc1[N+](=O)[O-])c1ccccn1 543388913 AWNTVRSVIOLYLB-HNNXBMFYSA-N 443.467 4.211 5 20 IIBD O=C(CCNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)Nc1ccccn1 543532595 HTZUSFHIRGLVKN-UHFFFAOYSA-N 428.514 4.031 5 20 IIBD COc1ccc(Br)cc1-c1noc(Cn2ccc3cc([N+](=O)[O-])ccc32)n1 544157662 DRYONNHYDHJSEP-UHFFFAOYSA-N 429.230 4.419 5 20 IIBD COc1ccccc1[C@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)N1CCCCC1 544523130 TWVJBOOXZJKDIZ-KKSFZXQISA-N 429.492 4.189 5 20 IIBD O=[N+]([O-])c1ccccc1Cc1noc(-c2ccc(S(=O)(=O)Nc3ccccc3)cc2)n1 544915121 CEPFLDNMKUCORH-UHFFFAOYSA-N 436.449 4.036 5 20 IIBD Cn1cc([N+](=O)[O-])cc1-c1nc(-c2ccccc2-c2ccc(CN3CCCC3=O)cc2)no1 545041686 YZVJHKTYHJTFLB-UHFFFAOYSA-N 443.463 4.440 5 20 IIBD O=C(Nc1cc(F)c(Br)cc1Cl)c1cc([N+](=O)[O-])cc2c1OCCO2 546664669 QVDAKSIYXYSXSS-UHFFFAOYSA-N 431.601 4.173 5 20 IIBD COc1ccc(CC(=O)N2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 547435328 HEWQWJQLJCSFHF-QGZVFWFLSA-N 440.443 4.481 5 20 IIBD COc1ccccc1CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCO1 549620948 IPLULOSIEGVJSS-HXUWFJFHSA-N 437.500 4.067 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CCC=C(c2ccco2)C1 552608453 OCDSKMLTJLZSFR-UHFFFAOYSA-N 438.221 4.030 5 20 IIBD CC[C@H](c1ccccc1)c1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C[C@H]1CCOC1 555483688 CEJXRFAYIRRGIZ-WIYYLYMNSA-N 435.528 4.401 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc(Cc2nc(C(C)C)no2)cc1 558841224 BGRDHRXMQGZERG-UHFFFAOYSA-N 425.445 4.022 5 20 IIBD Cc1nc(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])nn1-c1c(Cl)cccc1Cl 560722460 NNEHGWWVEIIWDT-UHFFFAOYSA-N 434.283 4.105 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 569338816 TZEPBYHDSWLNSV-UHFFFAOYSA-N 432.889 4.091 5 20 IIBD CC(C)NC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2ccccc2)CC1 575074720 GUVRBBDILPUCML-UHFFFAOYSA-N 434.544 4.063 5 20 IIBD O=C(Nc1c(-c2ccncc2)nc2ccccn12)c1ccc(OC(F)F)c([N+](=O)[O-])c1 576374789 HYNGRSFRMWTKCQ-UHFFFAOYSA-N 425.351 4.158 5 20 IIBD COc1cc(C(=O)Nc2ccnnc2OC)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 580676342 VHABPYZFSXXGMG-UHFFFAOYSA-N 430.804 4.100 5 20 IIBD CC(C)c1cc(NC(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)n(-c2ccccc2)n1 583352495 YWYZXNOCUAMMDB-UHFFFAOYSA-N 447.495 4.034 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(Cn2cc(Br)cc(F)c2=O)cc1OC 584238624 NAKDJXFFZIJRDG-NSHDSACASA-N 443.269 4.140 5 20 IIBD COc1ccccc1-c1cc(NC(=O)c2ccc([N+](=O)[O-])n2C)n(-c2ccc(C)cc2)n1 603760266 IHUJPJCDEIHMLS-UHFFFAOYSA-N 431.452 4.355 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)c(Cl)c1 604020381 IZWWQMWFPBIVIM-UHFFFAOYSA-N 438.889 4.110 5 20 IIBD O=C(NC1CCN(Cc2ccc(F)c(F)c2)CC1)c1cc2cc([N+](=O)[O-])ccc2s1 604181220 YEWFXCNUGYUZGO-UHFFFAOYSA-N 431.464 4.482 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 604276161 GOVXCSLVCAFCRE-RYUDHWBXSA-N 427.345 4.295 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 604447153 PZMWPYRNHKQHCE-ODXCJYRJSA-N 432.860 4.054 5 20 IIBD COc1ccc(COCc2cccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)c2)cc1 604465484 BWHWUPDTCICHGI-UHFFFAOYSA-N 442.493 4.429 5 20 IIBD Cc1ccc(Sc2ccc(CN[C@H]3CCN(C4CCN(C)CC4)C3)cc2[N+](=O)[O-])cc1 609571528 NCJBXBOSCYYQBG-FQEVSTJZSA-N 440.613 4.313 5 20 IIBD COC(=O)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)Cc1ccc2ccccc2c1 609793734 MBVWMCOCJXXNGW-LJQANCHMSA-N 440.883 4.092 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CCC(c3ccccc3F)CC2)cc1[N+](=O)[O-] 609864120 IIJWZZOPFHTCHU-UHFFFAOYSA-N 441.488 4.033 5 20 IIBD C[C@@H]1CCCCN1CCCNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 609873394 KTOTYICJZCJQPQ-CYBMUJFWSA-N 440.331 4.082 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)Nc1nnc(Cc2ccccc2F)s1 610095266 NEYGFTSCZSYHBN-UHFFFAOYSA-N 429.477 4.321 5 20 IIBD Cc1ccc2c(Cl)c(C(=O)N3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)sc2c1 610118555 WUUGWCPDVWTMJM-UHFFFAOYSA-N 443.912 4.370 5 20 IIBD CC(C)CCSc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1[N+](=O)[O-] 610177613 BYXSKQHFIMNHFL-VQIMIIECSA-N 442.603 4.161 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)cc2)nn1 610184365 VIZXKARUXGATHV-UHFFFAOYSA-N 430.424 4.138 5 20 IIBD Cc1ccc(C(=O)NCCNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cc1F 611199547 NKDSRJBXDYFHML-UHFFFAOYSA-N 445.516 4.237 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(OCc2ccccc2F)CC1 611262075 RFNKFRPHTGEBQN-CQSZACIVSA-N 436.867 4.362 5 20 IIBD CC(C)(C)OC(=O)c1cccc(CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)c1 611414901 UCWWKRPZHDIOCE-UHFFFAOYSA-N 425.485 4.398 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl 611529736 DHWZWZLKUFMLOQ-HXUWFJFHSA-N 440.887 4.264 5 20 IIBD O=C(c1cc(C(=O)N2CC[C@@H](c3ccco3)C2)cc([N+](=O)[O-])c1)N1CC[C@@H](c2ccco2)C1 613130724 CMYXFSPTXJMJKB-IAGOWNOFSA-N 449.463 4.040 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@](C)(CO)c1cccc(C(F)(F)F)c1 619638808 CYUSQUUZAFPMJE-GOSISDBHSA-N 427.379 4.042 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Oc2ccccc2I)cc1SC 728464925 AZAYZIAFLMTDBU-UHFFFAOYSA-N 445.234 4.149 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@H](C(=O)N[C@H]2CCCC[C@H]2C)C(C)C)cc1SC 728649258 IBXZUYUNLRYYJH-WTANOLMUSA-N 438.546 4.202 5 20 IIBD O=C(OCc1c(F)cccc1[N+](=O)[O-])c1cccc(CS(=O)(=O)c2ccccc2)c1 728995191 POUCSKPULOKUJV-UHFFFAOYSA-N 429.425 4.065 5 20 IIBD COc1ccc(CNC(=O)Nc2cccc(C(=O)OCc3ccccc3)c2)cc1[N+](=O)[O-] 730061265 PDCIBQLVMBQDSX-UHFFFAOYSA-N 435.436 4.282 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 730502764 CCDJLWFUOMTRTE-RUZDIDTESA-N 442.475 4.175 5 20 IIBD C[C@H](OC(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 730631703 QJEKYMCBYFLKIE-LBPRGKRZSA-N 447.419 4.265 5 20 IIBD C[C@H](NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])c1nc2ccccc2s1 734153899 CAVTUYVLOILQQA-VIFPVBQESA-N 442.316 4.007 5 20 IIBD O=C(COC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 734917064 LRQYCGHFKNDXDB-WDEREUQCSA-N 444.312 4.177 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1cccnc1S[C@@H](C)C(=O)N1CCCC1 735645000 XRZUERQYCSSJKA-ZDUSSCGKSA-N 449.916 4.274 5 20 IIBD CC(C)Cc1cc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)n(C)n1 736009007 OAWKYIQXSOYETK-UHFFFAOYSA-N 437.287 4.272 5 20 IIBD CC1=C(C(=O)N(C)C)[C@H](c2ccc([N+](=O)[O-])o2)NC(=S)N1c1ccc(C(C)(C)C)cc1 736536713 BUAFFWOABBIRCG-IBGZPJMESA-N 442.541 4.283 5 20 IIBD CC[C@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)c1ccc(OC)cc1 738568335 JJAGGTWUULCQNN-NRFANRHFSA-N 426.469 4.025 5 20 IIBD O=C(Nc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)c(O)c1)c1cc(F)cc(F)c1 741009861 UJMQGTKQONHBTB-UHFFFAOYSA-N 428.347 4.188 5 20 IIBD Cc1cncc(C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)c1 742701511 UUWZQBSARYGMQL-IBGZPJMESA-N 425.828 4.488 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3coc(-c4ccccc4)n3)CC2)ccc1[N+](=O)[O-] 744204093 PKVJHLSNXPUIPN-UHFFFAOYSA-N 437.452 4.474 5 20 IIBD O=C(C[C@@H]1CCOC1)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 744284047 NBOXQJYOMPGFRE-NSHDSACASA-N 439.251 4.486 5 20 IIBD O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 746056508 NDCFFLNUKQYOMT-CQSZACIVSA-N 437.279 4.497 5 20 IIBD COCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1cc([N+](=O)[O-])ccc1Cl 747811586 USTRAVPWADROMG-UHFFFAOYSA-N 448.781 4.310 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1 749146285 ONGWUAZVOMTGEN-NTEUORMPSA-N 427.460 4.379 5 20 IIBD CCN(CC)c1ccc(-c2nnc(SC[C@H](O)c3cccc([N+](=O)[O-])c3)n2C)cc1 749662030 BNYAFLMMUDYCFY-IBGZPJMESA-N 427.530 4.062 5 20 IIBD Cn1cc(C(=O)OCc2cn3cc(Cl)cc(Cl)c3n2)c(-c2ccc([N+](=O)[O-])cc2)n1 750135414 PFSKZFNGVRUKJU-UHFFFAOYSA-N 446.250 4.307 5 20 IIBD C[C@@H](OC(=O)c1cccc(Cl)c1[N+](=O)[O-])C(=O)Nc1c(F)c(F)c(F)c(F)c1F 750535244 IJHDHMAHSGFMNO-RXMQYKEDSA-N 438.692 4.128 5 20 IIBD CCCNC(=O)c1cccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)c1 750844652 ADKCRORWYOBJRJ-UHFFFAOYSA-N 440.681 4.403 5 20 IIBD C[C@@H](O)C[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1ccccc1 750904019 BXSDNCWDYMPMGZ-YPMHNXCESA-N 441.709 4.295 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 751409653 CNARWKNOHFCWDR-OSMDYODNSA-N 429.517 4.389 5 20 IIBD Cc1csc(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1Br 753651587 QXYDRDSKTJRFPW-QMMMGPOBSA-N 431.239 4.050 5 20 IIBD O=C(N[C@@H]1CCCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1)c1cc2ccccc2o1 755935577 XUDFAGPFTDUZKF-HXUWFJFHSA-N 445.479 4.056 5 20 IIBD Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Br)c(OC[C@@H]2CCCO2)c1 757718643 RUKOZYVVGJJUFC-INIZCTEOSA-N 449.301 4.154 5 20 IIBD O=C(OCC(=O)N1CCc2sccc2[C@H]1c1ccccc1)c1ccc(F)cc1[N+](=O)[O-] 758114955 VAGRWJIVMQTWMD-OAQYLSRUSA-N 440.452 4.127 5 20 IIBD CCOc1cc(C(=O)O[C@@H](C)C(=O)c2ccc(OC)c(Cl)c2)c([N+](=O)[O-])cc1OC 758370092 WAVHJPCCYIYYBP-NSHDSACASA-N 437.832 4.092 5 20 IIBD Cc1nn(C)c(C)c1[C@H](OC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F 760764573 OAIGWTKZUBGYOO-INIZCTEOSA-N 435.786 4.214 5 20 IIBD CC(C)(C(=O)OCC(=O)Nc1ccc(N2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1F 762978135 DEGGANXWUQKMGD-UHFFFAOYSA-N 443.475 4.184 5 20 IIBD C[C@@H](C(=O)O[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1cccc([N+](=O)[O-])c1 763400200 VXDXIXUGWKCXBY-FZKQIMNGSA-N 434.395 4.039 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)c1F 764471775 NGNHXWWSODYLSR-UHFFFAOYSA-N 433.237 4.302 5 20 IIBD C[C@H](COC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1cccc(Cl)c1 764691360 FHQBRMXRQIAJGF-GFCCVEGCSA-N 432.889 4.488 5 20 IIBD C[C@H](NC(=O)COC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccc(Cl)c(Cl)c1 766225542 PGGIZWRIEWFWQN-NSHDSACASA-N 448.262 4.484 5 20 IIBD CNC(=O)c1cc(Oc2cccc(OC(=O)c3cc(Cl)ccc3[N+](=O)[O-])c2)ccn1 766720495 QPIFSDXTDXSRIZ-UHFFFAOYSA-N 427.800 4.014 5 20 IIBD Cn1ccnc1[C@H](NC[C@H](O)c1ccc(-c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 768537906 XTHXDIGTGQYRTG-BJKOFHAPSA-N 428.492 4.408 5 20 IIBD O=C1CCCN1C[C@@H]1CCCCN1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 769195719 BGKNTXAQKDZALD-IBGZPJMESA-N 439.537 4.363 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C1CCCC1 769226297 YIPUIJNJWIECIM-JOCHJYFZSA-N 449.551 4.495 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCSC[C@@H]2c2nccs2)c1=S 769799969 AXTCYNBSMFHCON-OAHLLOKOSA-N 448.599 4.213 5 20 IIBD Cc1cc2c(N3CCC[C@@H]3C(=O)OCc3cc(Cl)ccc3[N+](=O)[O-])ncnc2s1 770180633 QJHALRUUXZFUMV-MRXNPFEDSA-N 432.889 4.274 5 20 IIBD COc1cc(/C=C(/c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)ccc1[N+](=O)[O-] 770566799 QJURIMJKPAUQOW-STZFKDTASA-N 435.461 4.452 5 20 IIBD CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 771378446 ARKTXGIPUGSEMX-XXFAHNHDSA-N 429.217 4.142 5 20 IIBD Cc1nc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)sc1Cc1c(F)cccc1F 773531411 YKPLHBJSBWYEOY-UHFFFAOYSA-N 434.380 4.389 5 20 IIBD CC[C@H](OC(=O)c1sc(Br)cc1[N+](=O)[O-])C(=O)c1ccc(OC)cc1 773598994 PZQHIYIKIDQKER-LBPRGKRZSA-N 428.260 4.246 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nn1-c1ccccc1Cl 776437876 JIAXCQRUAWTKFT-UHFFFAOYSA-N 449.250 4.191 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCSCc1ccnc(Cl)c1 777453887 RBSJEJPYAYMXQI-NSHDSACASA-N 430.313 4.114 5 20 IIBD O=C(COC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)N(Cc1ccco1)c1ccccc1 778169357 KLKAHKRMFJVMBN-UHFFFAOYSA-N 430.363 4.056 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21 780282002 CBGVNJANIZHCDY-RDTXWAMCSA-N 444.509 4.282 5 20 IIBD CC[C@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC[C@@H]1NC(=O)OC(C)(C)C 780960756 HIHPSAWMEWDMLH-JXFKEZNVSA-N 449.551 4.447 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)C2)C1 781025750 OIAFDZDHNMZOGA-AREMUKBSSA-N 447.535 4.154 5 20 IIBD C[C@H](CNC(=O)[C@@H](C)OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccccc1 781260211 STKOXBIKXYUQIW-IAGOWNOFSA-N 428.488 4.147 5 20 IIBD C[C@H](OC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1nnc(-c2cccc(Cl)c2)o1 782884375 NMGHPYVTXZEPAH-LBPRGKRZSA-N 439.815 4.402 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cccc(-c3nccs3)c2)cc1Br 790460505 NZKYPJBCIPPMMO-UHFFFAOYSA-N 441.284 4.249 5 20 IIBD CCN(Cc1cccc(NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)c1)C(=O)C(F)(F)F 790580043 MGFIIOPYJWZUJH-UHFFFAOYSA-N 439.390 4.075 5 20 IIBD Cc1ccnc(COC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c1 791300131 BTXNMFXNBKWUKL-UHFFFAOYSA-N 428.448 4.437 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 799234854 NLCJMUMVTISFQB-CQSZACIVSA-N 428.445 4.175 5 20 IIBD Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C)c1ccccc1F 799764047 SMEUEHMQFLGMEB-NSHDSACASA-N 431.283 4.187 5 20 IIBD O=C(N[C@]1(Cc2ccc(Cl)cc2)CCOC1)c1cc([N+](=O)[O-])ccc1Br 800344722 JZZIGESUUSUZNJ-SFHVURJKSA-N 439.693 4.142 5 20 IIBD COC(=O)[C@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccccc1C(F)(F)F 800469501 WLBLANDAFQBFMI-MRXNPFEDSA-N 429.372 4.163 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 800628124 TXJAZYHSSIUTNN-UHFFFAOYSA-N 441.390 4.338 5 20 IIBD COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)Nc1cccc([N+](=O)[O-])c1Cl)CC3 809917540 NGAOADIEBZRDNP-UHFFFAOYSA-N 428.832 4.106 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](C2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)C1 810953237 YEEWCKLYVAIMDV-HNNXBMFYSA-N 437.924 4.357 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1OC 813291960 HAVSRBBCMVTAQE-IBGZPJMESA-N 429.473 4.370 5 20 IIBD O=C(NC1CCCCC1)OC[C@@H]1CCCCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 813730090 SHNRTOLDRRRZPD-KRWDZBQOSA-N 428.489 4.130 5 20 IIBD C[C@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N2CCCOC2=O)cc1 814318995 LFCZQPUSQNHOOZ-AWEZNQCLSA-N 446.891 4.198 5 20 IIBD COc1ccc(CSCC(=O)O[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] 816452530 BXRIADASCVEVGW-UWJYYQICSA-N 444.553 4.290 5 20 IIBD CN(CC(=O)NC(c1ccccc1)c1ccccc1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] 817026175 RVRGTAVNQSFJAG-UHFFFAOYSA-N 437.883 4.226 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)CC1 820537581 ZHNSLGQTCDSPKQ-WOJBJXKFSA-N 434.540 4.040 5 20 IIBD O=C(OCc1nnc(-c2ccccc2Cl)o1)c1cc([N+](=O)[O-])ccc1N1CCCC1 846284815 PCGKTJSPKVWUGN-UHFFFAOYSA-N 428.832 4.255 5 20 IIBD COc1ccc2c(ccn2CC(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)c1 915824027 TUUFQHCPIAQCMR-UHFFFAOYSA-N 449.467 4.045 5 20 IIBD COc1ccc(CSCC(=O)Oc2ccc(NC(=O)c3ccco3)cc2)cc1[N+](=O)[O-] 916956949 OOKKKFREPPOGLD-UHFFFAOYSA-N 442.449 4.288 5 20 IIBD O=C(OCC(=O)N(c1ccccc1)C1CCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 919220154 IPCAUGNONWGCOH-UHFFFAOYSA-N 427.413 4.026 5 20 IIBD C[C@H](OC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1ccccc1[N+](=O)[O-] 920267766 JOIOVXYUTYPJFY-AWEZNQCLSA-N 444.440 4.453 5 20 IIBD CCOC(=O)[C@H](C)NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 920744778 IRMMPTSCHLCYQQ-AOHITCTBSA-N 439.493 4.203 5 20 IIBD O=C(O)c1ccc(-c2ccc(/C=C/c3ccnc(-c4cccc([N+](=O)[O-])c4)[n+]3[O-])o2)cc1 1116001399 XKLRQYBWKHHXAS-CMDGGOBGSA-N 429.388 4.419 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](c1ccccc1)c1noc(Cc2ccc(F)cc2[N+](=O)[O-])n1 1334087221 YHNUAGJMQPBZDS-SFHVURJKSA-N 428.420 4.322 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc(F)c4)cc3)CCC2)ncc1[N+](=O)[O-] 1790260556 CFSYFINTNWDUJI-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD C[C@H]1CCC[C@H]1C(=O)NC1(c2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc2)CCC1 1790755949 HHZHKNZCYUFURE-YCRPNKLZSA-N 437.496 4.484 5 20 IIBD Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2ccc(C)c([N+](=O)[O-])c2)c(C)c1 1800138318 USYHMAGSUODEBV-WKCHPHFGSA-N 435.524 4.015 5 20 IIBD CC1(C(=O)N2CCCC3(CCN(C(=O)c4cc5cc([N+](=O)[O-])ccc5s4)CC3)C2)CC1 1808899593 ZNYIHYOZONNEAO-UHFFFAOYSA-N 441.553 4.454 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1)c1ccccc1C1CC1 1823131658 ZDGHVQFQMNRGDB-SFHVURJKSA-N 449.467 4.408 5 20 IIBD O=C(c1ccc(Cl)cc1)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 1829834456 NCFOQFKUIGKHMZ-LJQANCHMSA-N 444.919 4.123 5 20 IIBD Cc1c(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CCc2cccs2)cc(Cl)cc1[N+](=O)[O-] 1848257963 VSARUQVGDMATRS-ROUUACIJSA-N 447.944 4.066 5 20 IIBD CCOc1ccc(CCC2CCN(C(=O)c3cc(OC)c(OC)cc3[N+](=O)[O-])CC2)cc1 10980073 WYNDSUWWEQMGSE-UHFFFAOYSA-N 442.512 4.496 5 20 IIBD COc1ccc(C(=O)OCc2csc(-c3cccc(OC)c3OC)n2)cc1[N+](=O)[O-] 11342296 CSESDGAOANIPEC-UHFFFAOYSA-N 430.438 4.101 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1 15408351 NKJWZEHCAHAPFF-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 18009556 VQHIFOLDNFMAOY-UHFFFAOYSA-N 438.267 4.248 5 20 IIBD O=C(OCc1nc(-c2cccc(Br)c2)no1)c1ccc(Cl)c([N+](=O)[O-])c1 18170396 SSAXWSIXPWDGOS-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD Cc1cccc(C(=O)OCC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)c1[N+](=O)[O-] 21835805 JTEXAZBXYSYIKH-HSZRJFAPSA-N 436.439 4.447 5 20 IIBD CCOC(=O)c1c(-c2ccco2)csc1NC(=O)COc1ccc(C)cc1[N+](=O)[O-] 22052090 WQICRKCLWSOMOW-UHFFFAOYSA-N 430.438 4.419 5 20 IIBD CCOC(=O)c1c(NC(=O)COc2cccnc2[N+](=O)[O-])sc(C)c1-c1ccccc1 22840204 WDHWQBUZRVHTPF-UHFFFAOYSA-N 441.465 4.221 5 20 IIBD Cc1ccc(-c2csc(NC(=O)COC(=O)CSc3ccccc3[N+](=O)[O-])n2)cc1 24780573 QDXUALACSFEFMW-UHFFFAOYSA-N 443.506 4.301 5 20 IIBD Cc1ccc([C@@H](NC(=O)COC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 24997560 LKKZXTDORFWDJH-QVKFZJNVSA-N 428.510 4.195 5 20 IIBD O=C(COC(=O)CSc1ccccc1[N+](=O)[O-])Nc1ccccc1Cc1ccccc1 25126748 CVQQUMQXIKSUAL-UHFFFAOYSA-N 436.489 4.460 5 20 IIBD O=C(COC(=O)Cc1coc2cc3c(cc12)CCC3)Nc1cc(Cl)ccc1[N+](=O)[O-] 28918495 XUQCRNNVSCXMPM-UHFFFAOYSA-N 428.828 4.208 5 20 IIBD CNc1ccc(C(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1[N+](=O)[O-] 29193290 OUMMYTJCDOIHSY-UHFFFAOYSA-N 436.434 4.003 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCCCN3CCCCCC3=O)cc2[N+](=O)[O-])n1 36674347 FVUYEEOCIMPXKC-UHFFFAOYSA-N 448.570 4.033 5 20 IIBD Cc1cc(Oc2nc(CN3CCOCC3)nc3sc4c(c23)CCCC4)ccc1[N+](=O)[O-] 46551048 SSXKZZQRLOUJTA-UHFFFAOYSA-N 440.525 4.411 5 20 IIBD O=C(Nc1cccc(OCc2cccnc2)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 59314255 RKBRMOCTHSNXSF-UHFFFAOYSA-N 432.480 4.424 5 20 IIBD O=C(NCC1(c2cccc(F)c2)CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 63233252 RKEVAVUZBGGPEP-UHFFFAOYSA-N 433.867 4.344 5 20 IIBD O=C(NCCc1ccccc1)c1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 65126604 XEUCXUNKTZANOR-UHFFFAOYSA-N 444.491 4.394 5 20 IIBD Cc1cc(NC(=O)CSc2ccc(C(F)(F)F)cn2)n(-c2ccc([N+](=O)[O-])cc2)n1 105584973 HPQYXSCKOGKGEP-UHFFFAOYSA-N 437.403 4.234 5 20 IIBD O=C(NCc1cccc(F)c1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 105845745 RSTPLIZMJSITND-UHFFFAOYSA-N 425.382 4.286 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC1(c2cccc(Br)c2)CCOCC1 108954392 IIKUAARPYBCGPB-RMKNXTFCSA-N 431.286 4.193 5 20 IIBD CC(C)(C)c1ccccc1NC(=O)COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 115019708 BRBMILHSGDLFOP-UHFFFAOYSA-N 425.485 4.288 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSc1ncnc2sc3c(c12)CCC3 261445537 NWGODFUOUOIDJJ-UHFFFAOYSA-N 428.495 4.179 5 20 IIBD O=C(c1ccc(N[C@H]2CCCc3cc(OC(F)F)ccc32)c([N+](=O)[O-])c1)N1CCOCC1 301123647 RUKJHXNWBCQHSZ-SFHVURJKSA-N 447.438 4.158 5 20 IIBD O=c1c(Cl)c(NCCc2c[nH]c3cc(F)ccc23)cnn1-c1ccc([N+](=O)[O-])cc1 301199950 VZMYXEYIARGFDL-UHFFFAOYSA-N 427.823 4.069 5 20 IIBD O=C(Nc1ccc(CNc2ncc(Br)cc2[N+](=O)[O-])cc1)c1cccnc1 301709667 XALPGLOYGBSTHM-UHFFFAOYSA-N 428.246 4.012 5 20 IIBD O=C(c1ccc(N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)c([N+](=O)[O-])c1)N1CCOCC1 302118137 CPWRVYMYOJHOAY-QGZVFWFLSA-N 449.429 4.080 5 20 IIBD Cc1sc2nc(S[C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)n(C)c(=O)c2c1C 302640001 OCBBXSXJCRYETF-NSHDSACASA-N 443.510 4.423 5 20 IIBD CN(Cc1cccc(Br)c1OC[C@H]1CCCO1)c1ncc([N+](=O)[O-])s1 409673007 VZPQFYBLMMJJPS-GFCCVEGCSA-N 428.308 4.008 5 20 IIBD O=C(NCc1nn(-c2ccccc2)c2c1CCC2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 426006539 GHQKXOSFDKMELE-UHFFFAOYSA-N 431.496 4.143 5 20 IIBD CCOc1cc2c(cc1CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)O[C@@H](C)C2 426265136 GBHHFQWQFJWNQP-HNNXBMFYSA-N 425.485 4.191 5 20 IIBD COC(=O)c1nc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)sc1C1CC1 429506853 XPUAYVCLALMAOG-UHFFFAOYSA-N 430.467 4.091 5 20 IIBD Cc1cc(OCC(=O)Nc2ccc(Cl)cc2I)ccc1[N+](=O)[O-] 430792490 AIRIPPCLFLSPJR-UHFFFAOYSA-N 446.628 4.179 5 20 IIBD O=C1CCC(=O)N1c1ccc(C(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)cc1[N+](=O)[O-] 431841301 DBSKXQBBWNHKHK-LJQANCHMSA-N 446.463 4.097 5 20 IIBD COc1cc(CCNC(=O)N(C2CC2)[C@H]2CCCc3ccccc32)c([N+](=O)[O-])cc1OC 431863166 DCTPSZWPFZGXDC-FQEVSTJZSA-N 439.512 4.406 5 20 IIBD C[C@H]1CN(CCCNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CCCO1 432581658 SBXSUPYSIZLBPD-KRWDZBQOSA-N 435.590 4.108 5 20 IIBD COc1ccc(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1N1CCCCC1=O 432648953 LLHZBNMBQCADAG-UHFFFAOYSA-N 426.473 4.177 5 20 IIBD CC[C@H](C)c1ncc(NC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cn1 434517086 KVOPWKGBJZMNEX-WMLDXEAASA-N 429.477 4.103 5 20 IIBD COc1ccc(CN2CC[C@@H](Oc3ccncc3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 435046577 ULFJFAKBHLZYLP-JOCHJYFZSA-N 435.480 4.231 5 20 IIBD CC(C)NC(=O)c1ccc(NCc2ccc(COC3CCOCC3)cc2)c([N+](=O)[O-])c1 443884730 OFBBZCQGPQOVQC-UHFFFAOYSA-N 427.501 4.041 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 444897462 FCYURZPZHGFGQH-QGZVFWFLSA-N 425.363 4.228 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ncc(Cc2ccccc2Cl)s1)c1cccc([N+](=O)[O-])c1 445060394 AHLDMELNMXRTQY-LBPRGKRZSA-N 444.900 4.111 5 20 IIBD CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 446703476 XFSFRBSHBUIMLA-CQSZACIVSA-N 433.892 4.034 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(COc2ccc(-c3nnc(N)o3)cc2)cc1OC 461045723 FWUXJLXGEMFXDR-ZDUSSCGKSA-N 428.445 4.240 5 20 IIBD O=C(Nc1ccc(Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)cc1)[C@@H]1CCCO1 462504599 UKTLWTDHGIDZSD-FQEVSTJZSA-N 434.452 4.430 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 462760521 GXFGDSCIWACHIY-AZUAARDMSA-N 433.512 4.355 5 20 IIBD COc1cc(CN2CCC[C@@](CO)(Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC(F)F 463031212 FBZUUHLNQFRUME-JOCHJYFZSA-N 436.455 4.022 5 20 IIBD CCN(C)C[C@H]1CCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 464793768 ORBARLDIAZNVKQ-IERDGZPVSA-N 430.936 4.202 5 20 IIBD CO[C@H](CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Cl)cc1 466090677 KJMSAPJAFYNXAN-HXUWFJFHSA-N 433.892 4.189 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)Nc1cccc(-c2cc[nH]n2)c1)c1ccccc1[N+](=O)[O-] 466902393 GWYNXDIRONLYCN-IBGZPJMESA-N 437.456 4.189 5 20 IIBD O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1CCC(n2cncn2)CC1 467117655 RSCMEAIJQQNQHW-UHFFFAOYSA-N 443.916 4.468 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC1(c2ccc(Cl)cc2)CCCC1 468120190 KTBXVJUUTPZCHA-QGZVFWFLSA-N 433.940 4.109 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC(c2ncc3n2CCCC3)CC1 468800654 BSSHVFUCUBFILK-UHFFFAOYSA-N 437.525 4.271 5 20 IIBD COc1ccc(N(Cc2cccs2)S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1 469157858 NILQDFOPRMIDKF-UHFFFAOYSA-N 434.495 4.069 5 20 IIBD Cc1cc(-c2noc([C@H](C)NC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])n2)ccc1F 472370870 XLOKHSCVYKLJLZ-LBPRGKRZSA-N 448.838 4.392 5 20 IIBD Cc1ccc(-c2ccc(C)c(NC(=O)CSc3ccc(C(N)=O)cc3[N+](=O)[O-])c2)o1 477588021 ZAFBHELTWOYGOY-UHFFFAOYSA-N 425.466 4.301 5 20 IIBD C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 477813906 CPZNHACYNVOCCV-MRXNPFEDSA-N 432.908 4.003 5 20 IIBD Cc1c(CNC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)cccc1[N+](=O)[O-] 481464342 HLNMMLYEHGTOQA-UHFFFAOYSA-N 445.401 4.310 5 20 IIBD CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])c(C)c1 483416870 RHRITDCJKOFVME-ZDUSSCGKSA-N 431.514 4.414 5 20 IIBD COCCN(Cc1cc(OC)c(OC)cc1[N+](=O)[O-])Cc1sccc1Br 483425575 JCYONZYQSCDBIN-UHFFFAOYSA-N 445.335 4.085 5 20 IIBD CCCc1c(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)cnn1-c1cccc(F)c1 489764632 WKWOFLUMASGDIQ-UHFFFAOYSA-N 440.431 4.219 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1cccc(N2CCCC2)c1 489937026 XZBIUNVBGXDXBF-MRXNPFEDSA-N 429.542 4.425 5 20 IIBD CCN(CC)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C1 491025427 CSGJHMQWMVRENR-GOSISDBHSA-N 430.936 4.417 5 20 IIBD CC(C)(C)S(=O)(=O)N1CCC(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 494844560 IPCMCFYNJXUTGK-UHFFFAOYSA-N 437.587 4.006 5 20 IIBD CCN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@@H](c1ccc(C)cc1)c1cccnc1 496493581 LRZZVVGEOOJOCH-QHCPKHFHSA-N 442.479 4.131 5 20 IIBD Cc1ccc2nc(CSCC(=O)N3CCS[C@H]3c3ccc([N+](=O)[O-])cc3)cn2c1 498159561 POERBFHGADYVDI-FQEVSTJZSA-N 428.539 4.058 5 20 IIBD O=C(CSc1ccccc1C(=O)NCc1ccccc1[N+](=O)[O-])Nc1ccc(F)cc1 500749000 PSILQPDBQPMTTI-UHFFFAOYSA-N 439.468 4.395 5 20 IIBD COc1ccc(CN2CCOC[C@@H]2c2c(C)nn(Cc3ccccc3)c2C)cc1[N+](=O)[O-] 501692083 BWNMRYCEOZNJES-JOCHJYFZSA-N 436.512 4.039 5 20 IIBD CC(C)c1nc([C@@H]2COCCN2Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)no1 501746452 XNMOCAYCGPVSND-NRFANRHFSA-N 437.500 4.443 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3ccc(OCCN(C)C)cc3)cc2[N+](=O)[O-])CC1 502759426 MJSFYEULRQCUEB-UHFFFAOYSA-N 426.517 4.024 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCC(N(C)C)CC2)cn1 503655439 MHNZJZHDDNWRMY-UHFFFAOYSA-N 443.573 4.275 5 20 IIBD Cc1cccc(C)c1Oc1ccccc1NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 506396707 LZKMRVXGUGAODF-UHFFFAOYSA-N 433.464 4.301 5 20 IIBD C[C@@H](Cc1ccc(Cl)cc1Cl)Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] 507027956 PUWLOQWOBGEKTJ-ZDUSSCGKSA-N 438.311 4.417 5 20 IIBD COc1ccccc1NC(=O)C1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 509557169 LYZFQQAATZHCBF-UHFFFAOYSA-N 435.427 4.056 5 20 IIBD Cc1ccc(NC(=O)C(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)cc1[N+](=O)[O-] 516455809 REOFFEDBOBKKKM-SFHVURJKSA-N 446.301 4.262 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCCCc3c[nH]c4ccccc34)cc2)c(C)c1[N+](=O)[O-] 520752628 VVFNUKORONBECV-UHFFFAOYSA-N 431.496 4.300 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1C(=O)N1CCCC1 522583436 ZESYHDLXNBBUIK-UHFFFAOYSA-N 430.892 4.315 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H](C)C[C@H]3CCCO3)c([N+](=O)[O-])c2)c(C)c1 522622519 XWBGMFNYKCLTTD-DLBZAZTESA-N 433.530 4.382 5 20 IIBD Cn1c([C@H]2CCCN2C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])nc2ccccc21 531576613 JWUGMKKQAKRLQR-GOSISDBHSA-N 448.401 4.400 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@H](CCO)c3ccccc3)cc2[N+](=O)[O-])n1 532686429 KZCOFJZTMLHRGW-MRXNPFEDSA-N 429.523 4.364 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N1CCOCC12CCCC2 534235088 VXYWCCLVDDJVJW-UHFFFAOYSA-N 446.507 4.162 5 20 IIBD O=C(CSCc1ccc(Br)cc1F)N1CCc2c(cccc2[N+](=O)[O-])C1 534574603 AULZQBITCKPZIP-UHFFFAOYSA-N 439.306 4.315 5 20 IIBD CC1CCN([C@@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c2cccs2)CC1 534649462 AQOYTEVYKRCPCC-FQEVSTJZSA-N 426.542 4.270 5 20 IIBD CSc1nc(C)c(CCC(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)c(C)n1 537153869 FJQKOJMGWHNMAD-UHFFFAOYSA-N 443.554 4.443 5 20 IIBD O=C(N[C@@H]1CCCOc2cc(Cl)ccc21)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 537267472 MOMPPZDWCRBKCV-OAHLLOKOSA-N 445.888 4.161 5 20 IIBD COCCN(C(=O)CCCC1CCOCC1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 537303965 WLUNMDFGOCLMPB-UHFFFAOYSA-N 433.530 4.295 5 20 IIBD Cc1nc(-c2cnn(C)c2)sc1C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 538251298 HJGWGRAXVPXQKM-UHFFFAOYSA-N 440.510 4.160 5 20 IIBD CCOc1ccc(-c2csc(NS(=O)(=O)CCc3ccccc3[N+](=O)[O-])n2)cc1 538497911 WVFREQXJFKDDIE-UHFFFAOYSA-N 433.511 4.101 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(C(=O)CC2CCCC2)CC1 539374769 XLMAVZSJOLTBMK-UHFFFAOYSA-N 433.574 4.350 5 20 IIBD CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 539970194 JSIMRMAVIFVQOT-VFNWGFHPSA-N 431.464 4.063 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)c1nc(-c2ccccc2)cs1 541659998 DAOUBFQKNCQOME-UONOGXRCSA-N 426.498 4.405 5 20 IIBD O=[N+]([O-])c1ccc(CSc2ccc(S(=O)(=O)N3CCCCC3)cn2)c(Cl)c1 542006441 CDZQSPCRNJEIEY-UHFFFAOYSA-N 427.935 4.110 5 20 IIBD C[C@H](C(=O)N(C)CCOc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1F 542634058 BTSGBYBCVXATDB-LBPRGKRZSA-N 425.254 4.137 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)C(=O)N1CCCC[C@H]1C 542656590 BYMRFTSVPXZVLH-HZPDHXFCSA-N 433.574 4.396 5 20 IIBD Cc1cc(-c2noc([C@H](C)N[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)n2)ccc1F 543543605 CDYZAALJGDBUJU-KBPBESRZSA-N 427.436 4.079 5 20 IIBD CCOc1c(OC)cc(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 544094874 GIGGWKIXUWHRRY-UHFFFAOYSA-N 440.905 4.073 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1 544110809 SCWAQAMXGYGZPS-MRXNPFEDSA-N 436.468 4.138 5 20 IIBD O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 544455646 UWUKVVZLLQSZNS-KSSFIOAISA-N 442.365 4.325 5 20 IIBD CCOc1ccc(-n2c(Cc3ccccc3)nnc2Sc2ncc([N+](=O)[O-])cn2)cc1 544857592 VGQNYVNCVVXCAR-UHFFFAOYSA-N 434.481 4.106 5 20 IIBD O=C1C[C@@H](c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)CN1c1ccc(Cl)cc1 546557912 IJPKCIKAUDAOSV-CYBMUJFWSA-N 437.843 4.224 5 20 IIBD COc1cc(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])ccc1OCc1cccnc1 551352152 QCDHMRVDXGEQOO-UHFFFAOYSA-N 435.480 4.171 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)c1 554628922 QNNOXLZEYGVUMG-UHFFFAOYSA-N 428.297 4.382 5 20 IIBD COc1cc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc(Br)c1OC 559621506 YUQCKNGTZKBOCA-UHFFFAOYSA-N 443.681 4.000 5 20 IIBD O=C(Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2)c1cc2cc([N+](=O)[O-])ccc2o1 560142868 LOOILPDQSJYKLL-UHFFFAOYSA-N 433.392 4.297 5 20 IIBD CC[C@H](c1ccccc1)N(CC)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 560181871 WSIZXANBVJYHTQ-QGZVFWFLSA-N 434.290 4.296 5 20 IIBD O=C(Nc1cccc2cc(Br)cnc12)c1cc(O)nc2ccc([N+](=O)[O-])cc12 561043677 BNVCSKLEMWMJQD-UHFFFAOYSA-N 439.225 4.412 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NC[C@H]2COc3ccccc32)c([N+](=O)[O-])c1 567953805 CAFCVHCGYUPSCO-INIZCTEOSA-N 432.432 4.201 5 20 IIBD Cc1ccc(NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1S(N)(=O)=O 568795388 MOBGKBIUCHNWQV-UHFFFAOYSA-N 431.445 4.094 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CC(C)(C)[C@@H]2CCC[C@@H]21 581904582 RZUCOKUSBXDWAM-HIFRSBDPSA-N 428.270 4.159 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1ccc(C)cc1)c1ccc(OC)cc1 582330743 JSZOKRXOZMOTJO-HSZRJFAPSA-N 447.491 4.319 5 20 IIBD COc1ccc(NC(=O)CCN2CCC(c3c[nH]c4ccc(F)cc34)CC2)c([N+](=O)[O-])c1 583582859 GKESGACOWFDNRI-UHFFFAOYSA-N 440.475 4.432 5 20 IIBD O=C(c1ccc(C(=O)N2CCC(C3CC3)CC2)c([N+](=O)[O-])c1)N1CCC(C2CC2)CC1 590424692 DDBGNASGZISTRU-UHFFFAOYSA-N 425.529 4.119 5 20 IIBD CCCCOc1c(Cl)cc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1OC 603467889 WANQSPKYLGTAAT-UHFFFAOYSA-N 447.919 4.398 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CSCc1nc(O)c2c3c(sc2n1)CCC3 603501402 NENIRIXYWALZMW-UHFFFAOYSA-N 444.538 4.283 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1(c2ccc3c(c2)OCCO3)CCCC1 603742894 SOBMAKZQXMPRJH-UHFFFAOYSA-N 434.395 4.418 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)cc1OC 603934728 JEPRHQFUQDWQIK-UHFFFAOYSA-N 441.440 4.153 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(C(=O)NCc2ccccc2F)cc1 603962717 WQXFUWRMLNFFPN-UHFFFAOYSA-N 437.427 4.072 5 20 IIBD O=C(NCc1ccccc1F)c1ccc(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 604009325 NZXDKSZFIULBAK-UHFFFAOYSA-N 447.426 4.326 5 20 IIBD CC[C@@H](C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)C(=O)N1CCC(Cc2ccccc2)CC1 609374164 RZRKPRLOCFCASQ-IIBYNOLFSA-N 443.569 4.282 5 20 IIBD CNC(=O)c1ccc(Nc2ccc(OC)c(NC(=O)C3CCCCC3)c2)c([N+](=O)[O-])c1 609704372 POSUEWHOOBMTEM-UHFFFAOYSA-N 426.473 4.225 5 20 IIBD C[C@H](SCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(=O)N[C@@H](C)c1ccc(F)cc1 609770594 CMTRCISWWZMEGL-KBPBESRZSA-N 447.488 4.031 5 20 IIBD CC(=O)N1CCC(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)CC1 609791705 NBPQXOWGKIURQX-UHFFFAOYSA-N 449.866 4.054 5 20 IIBD Cc1ccc(NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1OCCC(C)C 610053102 HWPSWYKIHQJZMT-UHFFFAOYSA-N 431.514 4.158 5 20 IIBD O=C1[C@@H](SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCN1c1ccc(Cl)cc1 610092767 XZVTYEMAHWOZOD-SFHVURJKSA-N 447.900 4.085 5 20 IIBD Cc1cccc(C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)c1[N+](=O)[O-] 610184455 BPCIOAZSRSKSRD-UHFFFAOYSA-N 429.274 4.357 5 20 IIBD CCO[C@H]1C[C@H](Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])C12CCC2 610211022 MCTNGBGYMNFODX-PMACEKPBSA-N 431.514 4.155 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCC4(CC3)OCc3ccccc34)cc2[N+](=O)[O-])CC1 610741925 DOZKXRQKPOUBCL-UHFFFAOYSA-N 435.524 4.493 5 20 IIBD O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCN(c2nccs2)CC1 610858500 FXBVMDOYYHAQPP-UHFFFAOYSA-N 426.523 4.165 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NCC1(CO)CCC1 612385916 ATHOIXGHVVSKJR-ATVHPVEESA-N 437.521 4.414 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@H](c3ccccc3)c3nccn3C)cc2[N+](=O)[O-])C1 612634174 GFEBELPBKIXETI-IEGUWTFLSA-N 447.539 4.330 5 20 IIBD Cc1cc(C)c(S(=O)(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] 617225274 WDEZASPYBXMMOF-GDNZZTSVSA-N 448.385 4.399 5 20 IIBD COc1ccc(-c2nc(COC(=O)c3cc([N+](=O)[O-])ccc3Br)co2)cc1 725986319 VXRDCLXJZVGDHT-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD CC(C)C[C@@H](C)N(C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc2[nH]ccc2c1 726915152 IQDBOFWVVWCHDU-OAHLLOKOSA-N 436.468 4.452 5 20 IIBD COc1ccc(NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)cc1NC(=O)OC(C)(C)C 727664290 PYUBXDPMCQQVII-UHFFFAOYSA-N 431.445 4.140 5 20 IIBD COCCCN1Cc2cccc(N[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2C1 728066595 RRSGUGRSVSHTBB-CQSZACIVSA-N 432.908 4.039 5 20 IIBD C[C@@H](OC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 728318644 DMSRXVANKBJCHG-SNVBAGLBSA-N 430.766 4.301 5 20 IIBD CC(C)[C@@H](OC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)N[C@@H]1CCOc2ccccc21 730645563 YHTDIXDORWMEAO-DNVCBOLYSA-N 432.860 4.070 5 20 IIBD O=C(COC(=O)c1cc(F)cc([N+](=O)[O-])c1)NCc1ccc(-c2ccc(Cl)cc2)o1 731529689 CIYWOXXAYKNHAF-UHFFFAOYSA-N 432.791 4.121 5 20 IIBD CCn1c(SCC(=O)OCc2ccc(Cl)cc2[N+](=O)[O-])nnc1-c1cccs1 734882729 SLIPZQZXUPQUCL-UHFFFAOYSA-N 438.918 4.424 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 735646473 XGFJITSJMCWMLC-BQYQJAHWSA-N 428.872 4.414 5 20 IIBD Cc1cccc(COC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n1 736766252 LNFVIQGQLZAUNZ-UHFFFAOYSA-N 428.448 4.437 5 20 IIBD C[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 742517388 MLRMACZJZUROAP-YWZLYKJASA-N 425.485 4.386 5 20 IIBD Cc1c(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cccc1N1CCOC1=O 743789388 GSTZGWRSTBXSAF-UHFFFAOYSA-N 438.484 4.348 5 20 IIBD C[C@H](OC(=O)[C@H](C)CC(=O)c1cccc(F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 745396079 FIHIRSHLERTAOT-OLZOCXBDSA-N 427.388 4.297 5 20 IIBD COc1ccc(-n2ccnc2SCC(=O)OCc2cc(Cl)ccc2[N+](=O)[O-])cc1 746067528 TXHNBPJJLVJPHF-UHFFFAOYSA-N 433.873 4.278 5 20 IIBD CC(C)Nc1cc(F)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1I 746293815 UKNYRCHWQTZACB-UHFFFAOYSA-N 443.216 4.411 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1CSc1nnc(N2CCOCC2)n1-c1cccc(F)c1 746389776 WMSDYGSSYAODQO-UHFFFAOYSA-N 449.895 4.097 5 20 IIBD O=C(c1ccccc1C(F)(F)F)N1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 746656470 ZAKGQBKWRRLDTJ-UHFFFAOYSA-N 427.810 4.225 5 20 IIBD CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1 751624318 URWKHWGVCASIAL-KRWDZBQOSA-N 445.859 4.277 5 20 IIBD CC(C)(C(=O)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)cc1 752466465 NGZKTUOXQLVTOU-UHFFFAOYSA-N 438.505 4.186 5 20 IIBD CC[C@](C)(CCCNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C1OCCO1 755036445 WHPDGFSYEXMZFP-QGZVFWFLSA-N 430.299 4.048 5 20 IIBD O=C(COC(=O)c1cncc(-c2ccc(Cl)cc2)c1)Nc1ccc(F)c([N+](=O)[O-])c1 758109100 FDTFARPIBBETKY-UHFFFAOYSA-N 429.791 4.245 5 20 IIBD CCOC(=O)[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)c2ccccc21 759318564 VGJCHLSHLAQFIC-ZDUSSCGKSA-N 433.258 4.055 5 20 IIBD Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 759956789 YSCZOFMSKRLLNO-WOJBJXKFSA-N 441.463 4.003 5 20 IIBD COC(=O)c1cc(S(=O)(=O)Oc2c(Cl)cccc2[N+](=O)[O-])c(Cl)cc1Cl 760619758 YOXFAJSKROQJRB-UHFFFAOYSA-N 440.644 4.109 5 20 IIBD Cc1cc2c(cc1Br)N(C(=O)c1cc(F)c([N+](=O)[O-])cc1F)C[C@@H](C)O2 763508797 DWBLGYNTHSEXDL-SECBINFHSA-N 427.201 4.372 5 20 IIBD C[C@@H]1[C@@H](C(F)(F)F)OC(=O)N1c1ncccc1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] 764301081 PGQIXZBOQOUYBD-OQPBUACISA-N 444.753 4.172 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)OC[C@H]1CC(=O)N(C)[C@@H]1c1ccc(OC)cc1 764648078 JSAJSMLMWHIVRD-QVKFZJNVSA-N 444.509 4.092 5 20 IIBD CCOc1ccc(C2=CCN(C(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)CC2)cc1 768865750 NIBXGPHHZJZJPA-UHFFFAOYSA-N 425.441 4.448 5 20 IIBD CC[C@@H](OC(=O)c1cc(Br)ncc1[N+](=O)[O-])C(=O)c1ccc(Cl)cc1 769835133 UZENWPWBRRGKAH-CYBMUJFWSA-N 427.638 4.224 5 20 IIBD O=C(Nc1cnc(Cl)c(Br)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 769989934 VWDQZDXLEIGGAU-UHFFFAOYSA-N 439.697 4.261 5 20 IIBD CCCc1c(NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cnn1-c1cccc(C)c1 774017691 LPTAZVUFJUEWGF-UHFFFAOYSA-N 441.875 4.272 5 20 IIBD Cc1nn(Cc2ccc(C(=O)OCC3(c4ccccc4)CCOCC3)cc2)c(C)c1[N+](=O)[O-] 774367591 ATWMPSMSIUNHMX-UHFFFAOYSA-N 449.507 4.362 5 20 IIBD O=C(Nc1ccc(F)cc1)NC1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 774514538 OPYMKVLMFRQPLL-UHFFFAOYSA-N 437.269 4.287 5 20 IIBD COC(=O)N1CCC([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 776978339 UZGVYLQWZBZIHJ-HNNXBMFYSA-N 443.525 4.343 5 20 IIBD CC(C)Oc1ccc(Br)cc1NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781742932 VSHXLEZEKVNPTA-SFHVURJKSA-N 448.273 4.276 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)C2(Cc3ccccc3Cl)CC2)c([N+](=O)[O-])c1 784277758 GASHKIRHAWYPRT-CYBMUJFWSA-N 432.860 4.150 5 20 IIBD Cc1ccc(C)c(-n2nc(C)c(CN3CCC(n4ccc([N+](=O)[O-])n4)CC3)c2Cl)c1 787289759 WCEQDRCPDFRJDX-UHFFFAOYSA-N 428.924 4.393 5 20 IIBD Cc1cc(C)c(N2CC[C@H](OC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)C2=O)c(C)c1 789041282 HBBZLSMSYYLRBQ-SFHVURJKSA-N 441.440 4.007 5 20 IIBD O=C(Cc1ccccc1OC(F)F)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791174148 WIRFBHFYPIYEID-UHFFFAOYSA-N 441.228 4.086 5 20 IIBD CN(Cc1nc2ccccc2s1)C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] 794819376 PPIRNPZBYJQSJY-UHFFFAOYSA-N 449.330 4.062 5 20 IIBD O=C(COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Cc1ccc(Br)cc1 795529213 HWPPMEJWDHMUNZ-UHFFFAOYSA-N 446.175 4.345 5 20 IIBD COc1cc([N+](=O)[O-])ccc1COC(=O)Cc1ccc(OCc2c(C)noc2C)cc1 797471535 LSUNDJHIGDQEOU-UHFFFAOYSA-N 426.425 4.073 5 20 IIBD CSC[C@H](C)C(=O)N1CCC(C(=O)Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])CC1 799605123 LDOZOCHSQWCYAG-INIZCTEOSA-N 442.537 4.405 5 20 IIBD CCCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)[C@@H](C)CC(=O)Nc1ccccc1 800240482 HVBJFPVFDGNIMH-AWEZNQCLSA-N 428.445 4.081 5 20 IIBD CCOC(=O)c1cc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2)cc([N+](=O)[O-])c1 804412559 UPBVBDBCGQPKFK-HSZRJFAPSA-N 448.475 4.148 5 20 IIBD C[C@]1(C2CC2)NC(=O)N(c2ccc(CNc3nc4ccc([N+](=O)[O-])cc4s3)cc2)C1=O 804703316 YLKCLXXTUYHMSX-OAQYLSRUSA-N 437.481 4.042 5 20 IIBD CC(=O)c1oc2cc(C)ccc2c1CC(=O)O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 805896015 AKJVYPZOJXOGOW-QZTJIDSGSA-N 425.441 4.318 5 20 IIBD C[C@H](CNC(=O)c1ccccc1)c1noc(-c2cc([N+](=O)[O-])ccc2N2CCCCC2)n1 809431081 OUWNBLHVPPGVDR-MRXNPFEDSA-N 435.484 4.169 5 20 IIBD CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810350503 PDIWGQWGNRYNDW-UHFFFAOYSA-N 446.710 4.059 5 20 IIBD COC(=O)c1ccc(Cl)c(C(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])c1 810656911 OYCVKMHRNHMBPM-LJQANCHMSA-N 426.812 4.376 5 20 IIBD C[C@](O)(C(=O)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)C1CCC1 812679617 MIDZVAVVFNHIBM-GHTZIAJQSA-N 432.860 4.022 5 20 IIBD CCOC(=O)[C@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccc(OC)c(F)c1 813185551 FYEGAZIYRDNXPZ-OAHLLOKOSA-N 445.230 4.084 5 20 IIBD O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N(Cc1cccnc1)c1ccc(F)cc1 814996393 OJUTWWMODSKCLL-UHFFFAOYSA-N 439.827 4.317 5 20 IIBD C[C@@H](c1ccc(F)cc1)N1CC[C@H](OC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O 815213399 FLPRWMXFBJIENR-GTNSWQLSSA-N 440.349 4.272 5 20 IIBD COC(=O)N1CCN(c2ccc(N[C@@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)cn2)CC1 815655123 JAWHCNQDEZFGMC-QHCPKHFHSA-N 447.495 4.080 5 20 IIBD O=C(Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1)c1cc(C2CC2)[nH]n1 913146806 PQMFNHJVHTYYJA-UHFFFAOYSA-N 426.816 4.320 5 20 IIBD Cc1ccc(N2C(=O)C[C@@H](C(=O)NCc3ccccc3[N+](=O)[O-])[C@H]2c2cccs2)cc1 916422598 DATDWHSNODJCHX-GCJKJVERSA-N 435.505 4.375 5 20 IIBD CCCCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)c(C)c1 918663652 VSWFWCOLLNYPFM-HNNXBMFYSA-N 429.448 4.213 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)c1 918921871 SSBUNUCSXNPKST-ZDUSSCGKSA-N 428.466 4.439 5 20 IIBD Cn1c(COc2ccc(Cl)cc2)nn(CN2CCc3ccc([N+](=O)[O-])cc32)c1=S 919948166 WBNKJTYYDZFSCE-UHFFFAOYSA-N 431.905 4.112 5 20 IIBD COC(=O)[C@@H](OC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1Cl 1116093369 RYQJOFJDCSHOBD-QFYYESIMSA-N 428.224 4.126 5 20 IIBD CC(C)(C(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F 1116615470 ZXQKCDSKFGFFEQ-NRFANRHFSA-N 436.487 4.450 5 20 IIBD COc1cc(-c2nnc(-c3ccc(C(F)(F)F)cc3[N+](=O)[O-])o2)cc(OC)c1OC 1117197213 WSQVVOYGDIBCDQ-UHFFFAOYSA-N 425.319 4.356 5 20 IIBD COc1c(C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)cnn1-c1ccccc1 1320329794 PNLQVPZCRBPAJC-UHFFFAOYSA-N 435.465 4.473 5 20 IIBD Cc1nc(N2CCOCC2)sc1-c1nnc([C@@H](C)Sc2ccc([N+](=O)[O-])cc2)o1 1322205668 PJJAGPPYTFYDKZ-GFCCVEGCSA-N 433.515 4.100 5 20 IIBD CCn1nc(-c2nnc(-c3csc(-c4ccc([N+](=O)[O-])cc4)n3)o2)c2ccccc2c1=O 1331837890 LWHUKOKCFRXZDY-UHFFFAOYSA-N 446.448 4.165 5 20 IIBD COCCCC(=O)NC1(c2ccc(NC(=O)CCc3cccc([N+](=O)[O-])c3)cc2)CCC1 1786599183 SJSMLIYDOXZNJD-UHFFFAOYSA-N 439.512 4.088 5 20 IIBD CC(=O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cccc(F)c3[N+](=O)[O-])cc2)CCC1 1790700286 YCRBIVWEPXAOOT-UHFFFAOYSA-N 441.459 4.097 5 20 IIBD CC/C=C(\C)C(=O)N1CCC2(CCCN(C(=O)Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 1805487366 ATAQTHAAYOHLKX-YAXRCOADSA-N 447.963 4.378 5 20 IIBD C[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc([N+](=O)[O-])o2)n[nH]1)c1cccs1 1814313765 XRPZZEOBCIGRCI-OCCSQVGLSA-N 443.485 4.082 5 20 IIBD CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1824838671 OBIMVCUQDFYEME-NRFANRHFSA-N 429.561 4.193 5 20 IIBD CC(C)(C)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 1826337065 MZYFUWOXGXQZSF-OAQYLSRUSA-N 447.551 4.332 5 20 IIBD O=C(c1cccc(Cl)c1)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 1829834187 DWHKWMBHAZHVMW-LJQANCHMSA-N 444.919 4.123 5 20 IIBD O=C(c1cccs1)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830492971 DASZGHZMKBNOKG-LJQANCHMSA-N 445.516 4.343 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)Cc2cccc([N+](=O)[O-])c2)s1 1847208251 GTESBYFAHLSQRF-ROUUACIJSA-N 441.553 4.012 5 20 IIBD C[C@@H](OC(=O)CCSc1ccccc1Cl)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 10404734 OGOIOTQUGBUKIN-LLVKDONJSA-N 426.853 4.440 5 20 IIBD CC(C)[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc2c(c1)OCCO2 15027323 MOIKJZRWOJOGQX-QHCPKHFHSA-N 439.512 4.096 5 20 IIBD O=C(CSc1nc2ccccc2o1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 15033960 ZNHKXYVQMZMUDU-UHFFFAOYSA-N 440.403 4.075 5 20 IIBD COc1cccc(-c2nc(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cs2)c1OC 15418036 LTHTYPGPTKZJQZ-UHFFFAOYSA-N 440.525 4.058 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)OCc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] 16618422 BQMLVOSAZIFCSH-UHFFFAOYSA-N 438.387 4.250 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1ccc(Cl)cc1C(F)(F)F 19284474 QXKLXUTWGUTCDG-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1 61159917 ZTRIGWXOWHCQQV-UHFFFAOYSA-N 430.896 4.265 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)s1 64244845 XNEHVSVTRLJUMZ-UHFFFAOYSA-N 443.959 4.488 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NC[C@@H](C)Cn3ccnc3C)cc2[N+](=O)[O-])n1 64736735 FIEYYXCDPUHQKP-GFCCVEGCSA-N 431.543 4.082 5 20 IIBD CCN(C(=O)Cc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1)c1ccccc1 64996307 IROJADJIWUYMPF-UHFFFAOYSA-N 436.443 4.164 5 20 IIBD Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)Cn1ccc([N+](=O)[O-])n1 65079917 QBYNKROLANKGQR-UHFFFAOYSA-N 447.373 4.010 5 20 IIBD COCCOc1cc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)ccc1OC 106036893 BZNJYQJDYUOOJQ-UHFFFAOYSA-N 443.500 4.117 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c([N+](=O)[O-])cc1OC 107963521 HIKNDHRMIIJKPD-ZIAGYGMSSA-N 447.463 4.007 5 20 IIBD COCCN(Cc1ccccc1)C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 115700639 YVYOUOFRNFQHFE-GOSISDBHSA-N 434.496 4.452 5 20 IIBD Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3F)cc2)cc1 116094841 FJTNGHOPJCNWPD-UHFFFAOYSA-N 443.456 4.120 5 20 IIBD COc1ccc([C@@H]2CCCN2c2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)cc1 301186934 PSPFAYQGULQUHR-SFHVURJKSA-N 426.860 4.144 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN(c2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])C3)cs1 301960010 PWWOWQNDPWMDGT-UHFFFAOYSA-N 446.510 4.360 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2cc3c(s2)-c2ccccc2CC3)CC1 303937053 XYFJMSWRVCJQNO-UHFFFAOYSA-N 447.516 4.020 5 20 IIBD O=[N+]([O-])c1cnc(N[C@H]2COc3cc(F)c(Br)cc32)c(Br)c1 409529648 VFGHBSRTXJMERD-NSHDSACASA-N 433.031 4.200 5 20 IIBD CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 426222268 JJMMVVDREAOWSG-GTNSWQLSSA-N 429.370 4.328 5 20 IIBD COc1cc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2OC)ccc1OCc1ccncc1 426848246 MQZNBYVWAZJBJV-HNNXBMFYSA-N 437.452 4.077 5 20 IIBD Cc1cc(N2CCSCC2)ccc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 431457322 NWHXDSUHUKJVLG-UHFFFAOYSA-N 436.331 4.471 5 20 IIBD C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 431479983 ZSUWOKKBGPSBLU-OAHLLOKOSA-N 432.318 4.094 5 20 IIBD O=C(Nc1cccc(Oc2ncc(Br)cn2)c1)c1cc(F)cc([N+](=O)[O-])c1 431909233 LQTUXSQUSDYNPT-UHFFFAOYSA-N 433.193 4.331 5 20 IIBD CCCOc1ccc2c(c1)CCN(C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)C2 435396332 YDWPYGJOLGPNBM-UHFFFAOYSA-N 430.526 4.210 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)cc1OCCC(C)C 435854273 FTRZIDNKBLMBSL-UHFFFAOYSA-N 439.468 4.234 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC1CCN(CCOc2ccc(F)cc2)CC1 436380604 BWMMWHSFKDOCAU-UHFFFAOYSA-N 428.386 4.103 5 20 IIBD COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1ccc(O)c([N+](=O)[O-])c1)CC2 436637785 CEYOCSXAJPTIOJ-OAQYLSRUSA-N 440.477 4.167 5 20 IIBD Cc1c(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)nnn1-c1ccc(F)c(Cl)c1 437478584 CGEVEEKCEMOGEA-UHFFFAOYSA-N 429.839 4.081 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cc(F)ccc1-n1cccn1 438779713 PCNTWJRYARUCFW-UHFFFAOYSA-N 431.232 4.027 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 440038491 SZBMJNYKDGYXGD-UHFFFAOYSA-N 447.447 4.173 5 20 IIBD O=C(NCCCC(F)(F)F)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 440538895 JHUNNUAPJPSDTF-UHFFFAOYSA-N 427.345 4.289 5 20 IIBD O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 443805162 FMRJUXWDCFMCRZ-UHFFFAOYSA-N 429.782 4.356 5 20 IIBD CC(=O)N(c1ccc(C)cc1)c1nc(CNCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cs1 446835676 MNBSMTBSMBAFNM-UHFFFAOYSA-N 436.497 4.210 5 20 IIBD CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1 447065698 BIQAKPRSUOSTFZ-KRWDZBQOSA-N 442.516 4.389 5 20 IIBD C[C@@H](c1cnn(C)c1)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1ccccc1 460420142 FPTROUFCYKTUCU-KRWDZBQOSA-N 431.500 4.027 5 20 IIBD COc1ccc(C[C@@](C)(O)CNC(=O)c2cc3ccccc3c3cccnc23)cc1OC 461237221 XRLZWFJGILFIIM-AREMUKBSSA-N 430.504 4.129 5 20 IIBD COc1ccc(CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCOC2)C2CC2)cc1 461367440 SHJJAQTXMFXZEP-GOSISDBHSA-N 449.511 4.067 5 20 IIBD O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 463014097 UGUUCSQXYBCEPH-AVRDEDQJSA-N 425.485 4.068 5 20 IIBD CCCc1cc(C(=O)N(CCOC)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)ccn1 463091543 ZQEWINJKHILMBO-UHFFFAOYSA-N 426.498 4.359 5 20 IIBD COc1ccc2c(c1)CCC[C@@H]2CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br 463541605 CKPSWPPSYASLRM-OAHLLOKOSA-N 433.302 4.145 5 20 IIBD C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C1 464232083 HTZHCLBRLPTQRB-CXAGYDPISA-N 441.488 4.237 5 20 IIBD CC(C)[C@@H](C)N1Cc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc34)c2C1 464423362 YUAXACSARAPDBD-OAHLLOKOSA-N 440.525 4.304 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(CCc2ccc(C)cc2)C[C@H]2CCCO2)cc1SC 464653293 ORENDRFJTGOJJF-GOSISDBHSA-N 444.553 4.498 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NC[C@H]2N(C)CCCC2(C)C)cc1[N+](=O)[O-])c1ccccn1 468464597 CBQNCNUUNPKXME-IIBYNOLFSA-N 425.533 4.013 5 20 IIBD CCOC(=O)[C@](C)(CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1ccccc1 470837153 UCANAEJNBRQTMJ-AREMUKBSSA-N 446.478 4.071 5 20 IIBD COc1ccccc1[C@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)OC(C)C 471568114 VNHDRLWYZWIIRX-QFIPXVFZSA-N 427.501 4.100 5 20 IIBD CCc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1[N+](=O)[O-] 471904192 APGNLUKEVSRQDJ-UHFFFAOYSA-N 433.867 4.441 5 20 IIBD CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 475214242 GHQXLBDILODFAD-LBPRGKRZSA-N 430.427 4.020 5 20 IIBD Cc1ccc(-c2cccnc2)cc1NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 477522472 IGYALTBCZMUSGP-GOSISDBHSA-N 436.493 4.270 5 20 IIBD CCCCC1CCC(C(=O)Nc2ccc(CNC(=O)c3cc([N+](=O)[O-])nn3C)cc2)CC1 478110509 IIXXSDWFKUMHEQ-UHFFFAOYSA-N 441.532 4.193 5 20 IIBD Cc1ccc(F)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1Br 479291531 YHADTHDKARJONW-UHFFFAOYSA-N 440.250 4.154 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](c1ccc(F)cc1)c1cnn(C)c1 483344769 QZTUCCVKDPRSSM-NRFANRHFSA-N 425.464 4.177 5 20 IIBD CCC1(CC)[C@@H](N(C)C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)C[C@H]1OC 484029169 ZSWIMMSJKHBGEP-VQTJNVASSA-N 428.533 4.122 5 20 IIBD CSc1cccc(C(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CCO3)c1[N+](=O)[O-] 486240798 IRPZJSXDWQJIDY-UHFFFAOYSA-N 429.498 4.341 5 20 IIBD Cc1cccc(C)c1NC(=O)CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 486346938 SSSYHLOWRYOSHZ-UHFFFAOYSA-N 433.464 4.159 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1 488585729 WANWHDBKTFWMSW-HXUWFJFHSA-N 443.301 4.158 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 489607068 TWSRKWGETVCWLV-INIZCTEOSA-N 446.500 4.208 5 20 IIBD CC(C)n1cc2c(n1)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)CC2 493903416 NXHGGGFZXKFHLG-IBGZPJMESA-N 433.512 4.272 5 20 IIBD C[C@H]1CN(Cc2ccccc2NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C[C@@H](C)O1 494223501 MZKYSCSBPNFWMI-HDICACEKSA-N 438.528 4.401 5 20 IIBD CCOc1cc(NC(=O)N[C@H](C)[C@H]2OCCc3sccc32)c([N+](=O)[O-])cc1OCC 494968193 BOWLPLIHMMYDPD-CWTRNNRKSA-N 435.502 4.278 5 20 IIBD CCOc1ccc([C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)c2cccc(Cl)c2)cc1 502350486 BXUNBXWKUDZWTR-NRFANRHFSA-N 428.876 4.139 5 20 IIBD Cc1ccc(NC(=O)CS[C@H](C)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 503961544 MHVNEKBIXQJVEE-QGZVFWFLSA-N 429.542 4.401 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCO[C@@H](c2ccccc2Cl)C1 505147619 BSZOJHDRTLHSQL-OAQYLSRUSA-N 429.904 4.065 5 20 IIBD COCc1c(Br)cccc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 505346887 WIQYSFZURUTTMM-UHFFFAOYSA-N 448.317 4.359 5 20 IIBD O=C(Nc1ccc(N2CCCC2)cn1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 507669795 BVQKZGIQUZKDIV-UHFFFAOYSA-N 447.282 4.335 5 20 IIBD Cc1cc(C)c(NC(=O)CCC[S@](=O)CCC(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1 507701346 ZTIKNVLFFLMIGC-HKBQPEDESA-N 445.541 4.016 5 20 IIBD C[C@H](Oc1ccc2ccccc2c1)c1nnc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1C 507925003 RLUOYKJBIJZAHD-INIZCTEOSA-N 447.499 4.055 5 20 IIBD CCc1ccc(CN(C)C(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])cc1 509863892 KZZXFWPYBYIHGN-UHFFFAOYSA-N 441.509 4.474 5 20 IIBD CCOc1cc(NC(=O)NCc2cn(-c3ccccc3)nc2C)c([N+](=O)[O-])cc1OCC 512697507 BSSLXFFRDMTPJV-UHFFFAOYSA-N 439.472 4.208 5 20 IIBD CC(C)c1ccc(CNCc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)cc1[N+](=O)[O-] 513131204 DHOXJHPKLDCJFT-GOSISDBHSA-N 445.585 4.429 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O 513497759 BCYOEEBGVYAFOM-LIRRHRJNSA-N 445.516 4.328 5 20 IIBD CCOc1cc(C(=O)N(C)CCCc2cc(-c3ccccc3)no2)c([N+](=O)[O-])cc1OC 513686880 HSKNDDMIRMKQNW-UHFFFAOYSA-N 439.468 4.362 5 20 IIBD CS(=O)(=O)Nc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)ccc1F 514082428 HTYLTQROSNNPND-UHFFFAOYSA-N 445.428 4.150 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 516701973 BURGUVPMLVDENH-OAHLLOKOSA-N 447.333 4.025 5 20 IIBD CN1CCN(C(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 517980343 PQELLOUHVLQNNE-UHFFFAOYSA-N 425.432 4.152 5 20 IIBD Cc1ccc(-n2nc(C(=O)Nc3n[nH]c(-c4cccc([N+](=O)[O-])c4)n3)c3c2CCCC3)cc1 518135044 MNEULXKXFANYHP-UHFFFAOYSA-N 443.467 4.005 5 20 IIBD Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1NC(=O)CN1CCCCC1 519172313 PIRGPUPLZYUXPL-UHFFFAOYSA-N 430.892 4.233 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C[S@@](=O)C2CCOCC2)c1 522403082 DWAOUWBVNGLVPZ-INCQDFKNSA-N 448.566 4.142 5 20 IIBD CC[C@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 522678580 IIPFJFMFVSYMBT-INIZCTEOSA-N 431.514 4.048 5 20 IIBD Cc1ccc(C[C@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c2ccccn2)cc1 523737181 MUPVRAFEAUUSHB-SFHVURJKSA-N 431.901 4.214 5 20 IIBD Cc1cc(N2CCCC2)ccc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 523955397 MQEOTMVCLAVHOY-QFIPXVFZSA-N 436.512 4.055 5 20 IIBD CC[C@@H](C)[C@@H](O)CNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 524557820 ZBWWVGHFRZRJJV-PXAZEXFGSA-N 439.871 4.386 5 20 IIBD O=C(Nc1ccccc1)c1ccc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)cc1 536253683 JQEHWKTVZWTTJK-UHFFFAOYSA-N 433.420 4.261 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(NCc3coc(-c4ccc([N+](=O)[O-])cc4)n3)cc2)C[C@H](C)O1 536302440 OVSPHNCTCYNNKH-HOTGVXAUSA-N 436.468 4.111 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1 537318830 OXBIAYXGRAKUNI-INIZCTEOSA-N 429.542 4.414 5 20 IIBD COc1ccc(CNCCc2c[nH]c3ncccc23)cc1OCc1ccc([N+](=O)[O-])cc1 538427230 DXYXPKLAKBXVHI-UHFFFAOYSA-N 432.480 4.391 5 20 IIBD Cc1ccc(C(C)C)c(Oc2ccc(CN3CCCS(=O)(=O)CC3)cc2[N+](=O)[O-])c1 539828910 JLSLLEJKUFSZHZ-UHFFFAOYSA-N 432.542 4.439 5 20 IIBD COc1ccc(-c2csc(NC(=O)CN[C@H](C)c3cccc([N+](=O)[O-])c3)n2)c(OC)c1 540381658 ZJDZGEMEHUZJLA-CYBMUJFWSA-N 442.497 4.025 5 20 IIBD O=[N+]([O-])c1ccc(N2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)c2ncccc12 541991893 FUOKIPRKHFNLQG-WAIKUNEKSA-N 428.452 4.146 5 20 IIBD CC[C@H](c1ccccc1)c1nnc(Sc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])o1 542101938 HGTSSTMMZWTQEQ-LLVKDONJSA-N 425.513 4.136 5 20 IIBD Cc1ccc(NCCCNC(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 544427710 TUBKDKUEZJLCLA-NQIIRXRSSA-N 430.480 4.064 5 20 IIBD COc1ccccc1CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)CC1 544627397 GFYLMRDBVHBRGZ-UHFFFAOYSA-N 429.542 4.062 5 20 IIBD NC(=O)c1ccc(SCc2nc(-c3cc(Cl)cc(Cl)c3)no2)c([N+](=O)[O-])c1 544971316 APDSARNJFMQERG-UHFFFAOYSA-N 425.253 4.343 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(CCCSc3ccc(Br)cc3)n2)nc1 545079267 VDVHXYYTTHBIIE-UHFFFAOYSA-N 435.303 4.451 5 20 IIBD O=C1C[C@H](c2noc(-c3csc(-c4cccc([N+](=O)[O-])c4)n3)n2)CN1c1ccccc1 547133150 IMIFRZSLXZDTBK-AWEZNQCLSA-N 433.449 4.289 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CC[C@H](C(F)(F)F)[C@H](CO)C1 557548153 VQPRDCMNVOXKGL-GUYCJALGSA-N 440.443 4.379 5 20 IIBD CC[C@H](C)n1ncc(NC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c1C 558862928 VOCRMPCGZSQRTJ-YOEHRIQHSA-N 431.493 4.275 5 20 IIBD COc1cc(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)c([N+](=O)[O-])cc1OCc1cscn1 560982341 OFPZGXCKNQOXKS-NVXWUHKLSA-N 443.456 4.064 5 20 IIBD CC(C)c1ccc(C(=O)N2CCCC[C@H]2c2nnc(C3CCOCC3)o2)cc1[N+](=O)[O-] 561026016 YTWGFEGHPUHYQS-SFHVURJKSA-N 428.489 4.363 5 20 IIBD CC(=O)c1cc(N[C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)ccc1[N+](=O)[O-] 561267927 NREFUTJFEZACDE-QGZVFWFLSA-N 432.274 4.086 5 20 IIBD COc1cc(-c2nc(CC(=O)Nc3cc(Cl)cc(Cl)c3)no2)cc([N+](=O)[O-])c1C 561914166 UXYIVFFPHKYJLM-UHFFFAOYSA-N 437.239 4.450 5 20 IIBD CC(C)(C(=O)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1)c1ccccc1[N+](=O)[O-] 564358445 RMEJSJNJCXAKTA-GOSISDBHSA-N 438.402 4.371 5 20 IIBD CC[C@@H](C)Oc1cccc(NC(=O)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 566919962 ZUXNMLHHJBXKQK-GFCCVEGCSA-N 439.390 4.046 5 20 IIBD O=C(N[C@H]1CCSc2ccc(Cl)cc21)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 569834517 JGXLQFJJSWATJJ-SFHVURJKSA-N 445.928 4.093 5 20 IIBD O=C(N[C@@H]1c2ccccc2CC12CCOCC2)c1cc(Br)cc([N+](=O)[O-])c1 572054276 CWQLCKIMNCEGJF-GOSISDBHSA-N 431.286 4.181 5 20 IIBD C[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccc(Oc2cccnc2)cc1 578931202 WIHDEPAJSFYBFP-MRXNPFEDSA-N 429.436 4.459 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CN3CCN(c4cccc(Br)c4)CC3)co2)cc1 581778331 IGHZORJSQYFZCJ-UHFFFAOYSA-N 443.301 4.335 5 20 IIBD COc1ccc(CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)C2CC2)c(OC)c1 582892699 CWTFMXRDIBLVFK-MRXNPFEDSA-N 427.501 4.160 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CC[C@H](C(F)(F)F)[C@H](CO)C1 587565216 JGZBDBQJZBNIBU-LRDDRELGSA-N 432.464 4.262 5 20 IIBD O=C(Nc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1)c1ccccc1 603979530 DZEVJHAFVHJENA-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD O=C(Nc1ccccc1S(=O)(=O)N1CCCCC1)c1cc2cc([N+](=O)[O-])ccc2s1 604118437 XYAZGDCEUAJPTL-UHFFFAOYSA-N 445.522 4.236 5 20 IIBD C[C@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)c1c(Cl)cccc1Cl 604572166 QONVDGXURSJAMW-NSHDSACASA-N 442.324 4.051 5 20 IIBD COc1ccc(CC(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)cc1[N+](=O)[O-] 609010712 DPQVMDJEUOHKEV-UHFFFAOYSA-N 430.354 4.202 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC[C@@H](n4ccnc4)C3)cc2[N+](=O)[O-])n1 609131604 UDAYCEOGOMZVCR-OAHLLOKOSA-N 429.527 4.185 5 20 IIBD C[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccc(F)c(Br)c1 609375088 UKCOMOQUUWMYSY-LLVKDONJSA-N 433.237 4.173 5 20 IIBD CCc1nnc([C@@H](C)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)o1 609495079 OFUYWOPBQKIWHA-OAHLLOKOSA-N 427.530 4.148 5 20 IIBD CCCCN(C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)[C@H](C)CC 609522196 ZDRZULJWINBJGT-MRXNPFEDSA-N 433.530 4.436 5 20 IIBD COc1ccc(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1Br 609724306 PJPOJUXOUNCNTG-UHFFFAOYSA-N 443.681 4.105 5 20 IIBD O=C(Cc1ccccc1)N1CCC[C@H](C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)C1 609859284 WWFYZWXWJXAVED-FQEVSTJZSA-N 435.524 4.352 5 20 IIBD COc1ccccc1-c1ccc([C@H](C)NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 610204716 YNDHQBJIMOSEOT-DLBZAZTESA-N 447.491 4.266 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2CCCCCN2C(C)=O)CC1 611205523 OWNQMDMYLILAET-HXUWFJFHSA-N 433.574 4.350 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 611529713 CAKLCXZVRSUCSQ-NRFANRHFSA-N 445.479 4.092 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNc2ccc(-n3cncn3)cn2)cc1 616206025 GJUVVGFPAJKDMF-UHFFFAOYSA-N 438.451 4.035 5 20 IIBD COc1cccc(NC(=O)[C@@H](OC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])c2ccccc2)c1 725936394 AUHVIURGZSLGFA-FQEVSTJZSA-N 442.374 4.418 5 20 IIBD Cc1c(C(=O)NCc2cccc(C(=O)OCc3ccccc3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 727327064 QDAZEDJWJIFSAU-UHFFFAOYSA-N 449.419 4.098 5 20 IIBD CSCc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2I)cc1 727343414 DHLDISSNJZMYHL-UHFFFAOYSA-N 428.251 4.315 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC(c2nnc(S)n2C2CC2)CC1 731632502 JLXBKXMCLXMBIA-UHFFFAOYSA-N 429.527 4.044 5 20 IIBD O=C(Cc1ccc(Cl)cc1Br)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 733218836 AYSLUSLPIRUCIZ-UHFFFAOYSA-N 435.665 4.378 5 20 IIBD O=C(N[C@H](Cc1ccccc1)c1cccs1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 735016136 MHEYADHSUJNVHO-HXUWFJFHSA-N 437.521 4.207 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 735021662 OEEDPHYHHCBOFQ-SSEXGKCCSA-N 434.489 4.333 5 20 IIBD COc1ccc([C@@H]2[C@H](COC(=O)c3ccc(Cl)cc3[N+](=O)[O-])CCC(=O)N2C)cc1 735786320 WUHPGZAFXGQHGX-VBKZILBWSA-N 432.860 4.023 5 20 IIBD CCN1C[C@H](COC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)CC1=O 739221736 GYOVXPGEMHYBQJ-CYBMUJFWSA-N 448.859 4.074 5 20 IIBD O=C(OCc1c(F)cccc1[N+](=O)[O-])c1ccc(S(=O)(=O)Cc2ccccc2)cc1 741363757 UBLAKXZDDWDPCE-UHFFFAOYSA-N 429.425 4.065 5 20 IIBD CN(C(=O)c1ccc(Cl)cc1)c1ccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 742333550 ZDJWRQTWEZBUPT-UHFFFAOYSA-N 446.868 4.293 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3cc(OC)c(C)c(OC)c3)CC2)ccc1[N+](=O)[O-] 744201878 SXVJGADXTNMDDO-UHFFFAOYSA-N 444.484 4.145 5 20 IIBD O=C(COC(=O)[C@@H]1SCCc2sccc21)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 745635815 IBTGPEKCSVAOAD-OAHLLOKOSA-N 446.428 4.187 5 20 IIBD COc1c([N+](=O)[O-])cc(NCCCOc2ccc(F)cc2)c([N+](=O)[O-])c1Br 746089922 CGTZGTPDJSUJMW-UHFFFAOYSA-N 444.213 4.294 5 20 IIBD Cc1cccc(C(=O)OCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c1[N+](=O)[O-] 750107055 WWNBRLDAIYJINC-UHFFFAOYSA-N 439.449 4.013 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N1CC[C@@H]([C@@H]2CCOC2)C1 750260756 HBOPMEGLJUDSPE-LZJOCLMNSA-N 429.904 4.286 5 20 IIBD Cc1nc(Cl)ccc1C(=O)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 751646708 KNGAUXXBLHPYAQ-MRXNPFEDSA-N 431.876 4.193 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Br)N1CC[C@@H](OCCCc2ccccc2)C1 752063207 XWKFQMPKKGFWOI-QGZVFWFLSA-N 433.302 4.221 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 754989563 SAHADJZXYQACOD-ZETCQYMHSA-N 446.174 4.133 5 20 IIBD CSc1cc2c(cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)OCCO2 754995995 LMKBBNDRHAGBFJ-UHFFFAOYSA-N 443.250 4.242 5 20 IIBD C[C@@H](OC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 755064534 KWSOIPYIYJCIIK-GHMZBOCLSA-N 430.348 4.100 5 20 IIBD Cc1nc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)sc1-c1nnc(S)n1C1CC1 755076629 OSLAGPQURDBLMT-MRVPVSSYSA-N 448.505 4.123 5 20 IIBD Cc1nc(-c2ccc(Br)cc2Cl)nn1C[C@H](O)c1cccc([N+](=O)[O-])c1 755304259 CXDJIFNXPYZTLV-INIZCTEOSA-N 437.681 4.311 5 20 IIBD O=C(Cc1csc(Cc2ccccc2)n1)O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 759948305 MXTXIZHJVNSSOU-ROUUACIJSA-N 426.498 4.108 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2NC(=O)c2ccccc2)c1F 760338499 NZXLANBSBHDTSD-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD CC[C@H](C)n1ncc(C(=O)OC2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)c1C1CC1 760995621 ZCGZXBVOXQQLRI-HNNXBMFYSA-N 442.516 4.474 5 20 IIBD COc1ccc(/C=C2\C(=O)Nc3cc(Cl)c([N+](=O)[O-])cc32)c(Br)c1O 761014011 ZXAIZRBFLOKQPL-WTKPLQERSA-N 425.622 4.218 5 20 IIBD CN1CC[C@H](CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 762724956 DWXHYEOQOVXOGW-ACJLOTCBSA-N 426.275 4.464 5 20 IIBD C[C@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C(=O)N1CCC[C@H]1c1cccs1 762999481 OWQMBNIUIVNXNG-GUYCJALGSA-N 434.489 4.368 5 20 IIBD O=C(Nc1ccccc1)c1ccc(COC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1 763869911 LNQMBKTZSRXQOR-UHFFFAOYSA-N 442.431 4.390 5 20 IIBD O=C1OC[C@H](COC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)O1 763875328 IVQHPPZHDFHMLY-NSHDSACASA-N 432.435 4.048 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)c1ccc(OC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 767082948 LCPCSWDYRNCMDY-CYBMUJFWSA-N 444.440 4.171 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 767194657 LIXDKINOPLAPKI-MRXNPFEDSA-N 430.386 4.429 5 20 IIBD C[C@H](OC(=O)[C@@H](F)c1ccccc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 769159235 BOMDZKIOJDOHJG-SJCJKPOMSA-N 429.429 4.299 5 20 IIBD Cc1cccc(N2C[C@@H](C(=O)O[C@@H](c3cccnc3)c3ccccc3[N+](=O)[O-])CC2=O)c1C 776134949 DRKZPENTUDZTTG-CYFREDJKSA-N 445.475 4.292 5 20 IIBD O=C(C[C@@H]1C=CCCC1)NCCN1C(=O)S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 777412624 GROAGQVMHKFTPR-VVBXCHJUSA-N 449.916 4.147 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3csc(C)n3)cc2)cc1[N+](=O)[O-] 777601146 UCJVKEYAXZVXSG-UHFFFAOYSA-N 448.482 4.006 5 20 IIBD COC(=O)[C@H](NCc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(Cl)c(F)c1 779179916 ZZFWSRRBFYUYGS-OAHLLOKOSA-N 431.645 4.154 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 779354619 JQGXCMDGFZUFQF-SWLSCSKDSA-N 443.447 4.104 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1)CC2 781015407 VTJVNJWDNURSLU-OAQYLSRUSA-N 445.475 4.059 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCC1(c2ccc(C(F)(F)F)cc2)CC1 781086926 JGMQYPSNBDAEPL-UHFFFAOYSA-N 437.374 4.302 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCc1cc(F)cc(Br)c1 781706792 WRNPEEBAOCBLJD-UHFFFAOYSA-N 427.182 4.081 5 20 IIBD COc1ccc([C@H]2[C@H](COC(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)CC(=O)N2C)cc1 784516346 KIBLHGOFWRKUNG-JTSKRJEESA-N 426.469 4.103 5 20 IIBD CO[C@@H](C)c1nc(COC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cs1 784839596 VLPLWSJJKIWYGZ-JTQLQIEISA-N 430.432 4.480 5 20 IIBD O=C(Nc1ccc(OC(=O)[C@@H]2CCCN2C2CC2)cc1)c1cc([N+](=O)[O-])ccc1Cl 786769935 YUQMTWXBPSKSCO-IBGZPJMESA-N 429.860 4.033 5 20 IIBD O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 787175657 OKFNEEMGFBEREU-UHFFFAOYSA-N 449.492 4.289 5 20 IIBD C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1nc(C(F)(F)F)cs1 787802394 LGBHRCNZQWXVEK-YFKPBYRVSA-N 442.188 4.463 5 20 IIBD COC[C@H](Cc1ccccc1)N(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 789860755 PSWKQAUTUJCYPN-AWEZNQCLSA-N 441.709 4.340 5 20 IIBD O=C(Cc1ncccc1F)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 792034965 HCINXQZNNAZAKJ-UHFFFAOYSA-N 429.791 4.183 5 20 IIBD CN(C(=O)C(C)(C)C)c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cc1 795885971 PRXMWGWGVRPMCZ-UHFFFAOYSA-N 444.868 4.164 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2-c2ncc3n2CCCC3)ccc1Cl 797430348 BQJKQALMNAYUEW-UHFFFAOYSA-N 432.889 4.249 5 20 IIBD CC[C@@H](c1ccncc1)N(CC)C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O 798294146 LJDOPOHXRCEMDS-HNNXBMFYSA-N 429.864 4.148 5 20 IIBD CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1c(F)ccc([N+](=O)[O-])c1C 800144035 QWBNSXGRKLSBOE-CYBMUJFWSA-N 440.518 4.345 5 20 IIBD CC[C@H]1c2ccsc2CCN1C(=O)COC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 802652240 BFEGYWNPOFYJKE-GUYCJALGSA-N 434.539 4.216 5 20 IIBD C[C@@H](C(=O)OCc1ccc(Br)cc1N1CCOCC1)c1cccc([N+](=O)[O-])c1 802802131 TWVVDOIPPRPRFR-CQSZACIVSA-N 449.301 4.041 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2nc3c(Br)cccc3s2)cc1[N+](=O)[O-] 807755858 IOLDKLQAIJKJOX-UHFFFAOYSA-N 437.231 4.436 5 20 IIBD CN(C(=O)OC(C)(C)C)c1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)s1 810342695 BKRDKJKIITYNNW-UHFFFAOYSA-N 444.473 4.065 5 20 IIBD C[C@@H](C(=O)OCC(=O)c1ccc(C(F)(F)F)nc1Cl)c1ccc([N+](=O)[O-])cc1F 811182197 ULLYIYFZKDYDES-MRVPVSSYSA-N 434.729 4.331 5 20 IIBD O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(O[C@H]2CCOC2)cc1 811219386 PKBSYPSDBDZXBW-IBGZPJMESA-N 426.450 4.243 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cc(C(F)(F)F)cc(Cl)n1 811229777 JGEOFTYRIVFEKF-UHFFFAOYSA-N 428.710 4.069 5 20 IIBD Cc1ccccc1-n1ccnc1SCC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 811932094 AWCGLFZWXDLFIH-UHFFFAOYSA-N 430.917 4.493 5 20 IIBD CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 816912912 QEIQLKPLINMEFA-CQSZACIVSA-N 434.899 4.020 5 20 IIBD COC1(CCNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC1 818013276 QHICTRZZZZPWOX-UHFFFAOYSA-N 431.876 4.190 5 20 IIBD Cc1csc(Oc2ccc(NS(=O)(=O)c3cccc(F)c3[N+](=O)[O-])cc2F)n1 821090481 ZCLYHTJSRUHFBX-UHFFFAOYSA-N 427.410 4.231 5 20 IIBD C[C@@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)Nc1cccc(N2CCCC2=O)c1 827004852 ARNZTVLIVPUOQI-GFCCVEGCSA-N 442.522 4.451 5 20 IIBD Cc1cccc(-n2ncc(C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c2C)c1 900165283 BEMXJATVWKQKCY-CQSZACIVSA-N 442.859 4.235 5 20 IIBD CCOc1cc(NC(=O)N2CCC([C@H](O)c3ccccc3)CC2)c([N+](=O)[O-])cc1OCC 915333132 RQYHEFZBRHWLIZ-JOCHJYFZSA-N 443.500 4.370 5 20 IIBD COC(=O)CCc1c(C)nn(-c2ccc(C(=O)Oc3cccc([N+](=O)[O-])c3C)cc2)c1C 917049744 OKIVNASUQMJZDP-UHFFFAOYSA-N 437.452 4.031 5 20 IIBD O=[N+]([O-])c1cccc(-c2ncn(CN3CCC[C@H]3c3ccc(Br)cc3)n2)c1 917487565 UNAGHHWUPFCDJY-SFHVURJKSA-N 428.290 4.410 5 20 IIBD O=C(Nc1ccccc1COc1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 917867370 RUMIJBRKELLNCX-UHFFFAOYSA-N 433.464 4.263 5 20 IIBD COc1ccc(CNC(=O)c2cccc(C)c2NC(=O)c2ccccc2F)cc1[N+](=O)[O-] 918379878 RNGQHXUABIRFIS-UHFFFAOYSA-N 437.427 4.233 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc(O[C@H](C)c2ccccc2)nc1 919216020 WHNPYXSKFXBVKE-MRXNPFEDSA-N 435.436 4.234 5 20 IIBD C[C@H](OC(=O)c1cc(F)ccc1F)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 919902133 XZYWPOUKVYKOMR-JTQLQIEISA-N 433.392 4.181 5 20 IIBD Cc1ccc(CCC(=O)OCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Cl 920147342 HMUQBQMMFDBWSF-UHFFFAOYSA-N 425.268 4.116 5 20 IIBD O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1CCc2ccc([N+](=O)[O-])cc2C1 1116242486 PTACCHDQPKDVMM-UHFFFAOYSA-N 439.475 4.100 5 20 IIBD O=C(CCC(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)c1ccc2ccccc2c1 1318087545 RLFFURFGDADECF-UHFFFAOYSA-N 431.492 4.055 5 20 IIBD CNC(=O)c1ccc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c(C)c1 1318706186 SBNYDGUJMQFLRT-UHFFFAOYSA-N 448.266 4.008 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(Cn1nc(-c3ccncc3)n(Cc3ccco3)c1=S)CC2 1319220178 VUAKWHNOPWMBAT-UHFFFAOYSA-N 448.508 4.041 5 20 IIBD CCCCn1c([C@H](CC)N(C)C)nn(CN2CCc3ccc([N+](=O)[O-])cc3C2)c1=S 1322474044 AURBKHZIJHWTBP-IBGZPJMESA-N 432.594 4.151 5 20 IIBD CC(C)CC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 1323797662 PIVSSVYVOKMYRI-UHFFFAOYSA-N 433.574 4.208 5 20 IIBD CCCCCn1nc(-c2nnc(COc3ccc([N+](=O)[O-])cc3)o2)c2ccccc2c1=O 1323836053 CXIPUAJPEFZZHJ-UHFFFAOYSA-N 435.440 4.124 5 20 IIBD COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1N 1327169034 ZIOPUNTVJUKEAP-HNNXBMFYSA-N 442.697 4.053 5 20 IIBD C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1sc(Br)cc1[N+](=O)[O-] 1337530189 PNWQWKTUHRHYGW-UEKVPHQBSA-N 425.304 4.410 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3cccc4cc[nH]c34)cc2)CCC1)c1ccc([N+](=O)[O-])[nH]1 1789093703 JZNYEIZECSOPEP-UHFFFAOYSA-N 443.463 4.466 5 20 IIBD O=C(Cc1cc([N+](=O)[O-])ccc1F)NC1(c2ccc(NC(=O)c3ccc[nH]3)cc2)CCC1 1789681687 HROYJXLFDGTMPF-UHFFFAOYSA-N 436.443 4.052 5 20 IIBD Cc1cc[nH]c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 1794703452 KLPIPOBBFLIANP-MUJYYYPQSA-N 438.509 4.012 5 20 IIBD CC(C)C1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C3)CCC1 1803412412 NCEUYBVTLJSOLD-FCJRBGQTSA-N 425.529 4.073 5 20 IIBD CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3cc(F)ccc3[N+](=O)[O-])CC2)CCC1 1823711897 SMCPEICMCVSWOS-HXUWFJFHSA-N 445.535 4.086 5 20 IIBD CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 1824160893 FDWAOZISPJGHOB-IBGZPJMESA-N 435.952 4.211 5 20 IIBD COc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CC3CCC3)CC2)ccc1[N+](=O)[O-] 1832837089 CYOCOOVNVKOSDY-FQEVSTJZSA-N 443.544 4.027 5 20 IIBD O=C(COC(=O)c1cccnc1Nc1ccccc1F)Nc1cc([N+](=O)[O-])ccc1Cl 3484457 QSQYKNNQGDGTHH-UHFFFAOYSA-N 444.806 4.321 5 20 IIBD O=C(OCc1cc(=O)n2ccsc2n1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 9066492 KSOZKSRUARMYLR-UHFFFAOYSA-N 439.474 4.172 5 20 IIBD O=C(COC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1cc([N+](=O)[O-])ccc1F 12257679 LRMFNOZQJRIBCK-UHFFFAOYSA-N 447.806 4.157 5 20 IIBD COc1ccccc1N1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 15343864 XTYVJIRGMOMVGL-UHFFFAOYSA-N 446.507 4.178 5 20 IIBD O=C(COC(=O)c1cc(C2CC2)nn1-c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 23085061 ZHEWTDCBWNOTJS-UHFFFAOYSA-N 440.843 4.107 5 20 IIBD Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)Nc2ccccc2)n1 28832355 FAWUUNHFJYIKSR-UHFFFAOYSA-N 429.479 4.306 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(Br)cc1Cl 29274547 NVIQOHUGIJQYEQ-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1Cc1csc(COc2ccc(F)cc2)n1 60825983 DQZGPWOEFCEMME-UHFFFAOYSA-N 438.440 4.041 5 20 IIBD COc1cc([C@@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)ccc1OCc1ccccc1 64996715 BGBHJIHZJKMKRN-CQSZACIVSA-N 439.443 4.395 5 20 IIBD CC1CCN(c2ccc(CNC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)cn2)CC1 65103038 XFFZDGGQNPBPDI-UHFFFAOYSA-N 437.525 4.280 5 20 IIBD Cc1occc1C(=O)Nc1cc(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1F 108417115 ULPLNGMPBDVWGU-GFCCVEGCSA-N 426.404 4.327 5 20 IIBD COc1cc(C(=O)N2CCc3cc(Br)ccc32)c([N+](=O)[O-])cc1OC(F)F 115994098 WLRSWYPJVWIWQT-UHFFFAOYSA-N 443.200 4.170 5 20 IIBD Cc1nc2[nH]c(S[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)nc2cc1Br 216431099 PRFRYAQABHFEAL-SECBINFHSA-N 436.291 4.056 5 20 IIBD CCN(CC(=O)Nc1c(Cl)cccc1Cl)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 217102605 SEVYFPUUNHNFJK-LBPRGKRZSA-N 439.299 4.189 5 20 IIBD CC(=O)c1ccc(N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)c([N+](=O)[O-])c1 301069303 FAPPJPXNZLMTOZ-UHFFFAOYSA-N 440.500 4.382 5 20 IIBD COc1ccc(Br)cc1Sc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] 301456371 YYSKHWRXMHIBEW-UHFFFAOYSA-N 448.298 4.482 5 20 IIBD Cc1nnc(Sc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])n1[C@H]1CCC[C@H](C)C1 301849901 WILMXUFOLATGCQ-JQWIXIFHSA-N 446.501 4.393 5 20 IIBD Cc1ccc(-c2csc3nc(Sc4ncc([N+](=O)[O-])cn4)n(C)c(=O)c23)cc1C 302175699 WYZHCWHEZJZHBX-UHFFFAOYSA-N 425.495 4.128 5 20 IIBD O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)c1ccc2[nH]c3ccccc3c(=O)c2c1 430476480 IMIMIQOBFSSJMT-RPLLCQBOSA-N 444.506 4.324 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)N(Cc1cccnc1)c1ccc(Cl)cc1 431092739 DUTBXFYOKYLXKG-UHFFFAOYSA-N 431.901 4.222 5 20 IIBD CC(C)(C(=O)NCc1ccc(OCCOc2ccccc2)nc1)c1ccccc1[N+](=O)[O-] 431355518 IUJNSIVKQABUMV-UHFFFAOYSA-N 435.480 4.042 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N[C@@H]1CCO[C@H]1c1ccc(O)nc1 432161775 HOXXKUVQDJTJNU-CTNGQTDRSA-N 436.424 4.139 5 20 IIBD CCOc1cc(CS(=O)(=O)Cc2coc(-c3c(F)cccc3F)n2)ccc1[N+](=O)[O-] 434635587 CWLFDZHTXMVUBB-UHFFFAOYSA-N 438.408 4.042 5 20 IIBD CCC[C@@H]1CCc2nc(NC(=O)C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)sc2C1 434810737 ZWTOTOJOPFTBLS-UONOGXRCSA-N 430.530 4.081 5 20 IIBD CC[C@@](C)(COc1ncccc1Cl)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 435456647 BGWAJGDEXLAZOM-QFIPXVFZSA-N 446.935 4.224 5 20 IIBD COc1cccc(C(=O)N2c3ccccc3CC[C@H]2C(=O)Nc2ccc(F)cc2)c1[N+](=O)[O-] 435715318 ALEXNDCVNNSROP-FQEVSTJZSA-N 449.438 4.343 5 20 IIBD COc1ccc(-c2ncc(C(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)s2)cc1OC 435825498 INFCRWACQPHSCA-UHFFFAOYSA-N 427.482 4.401 5 20 IIBD C[C@H]1Cc2ccccc2N1CCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436238592 JPAUWNIINRVBSO-AWEZNQCLSA-N 433.458 4.141 5 20 IIBD CC(=O)N1CCN(Cc2cccc(NCc3ccc(-c4cccc([N+](=O)[O-])c4)o3)c2)CC1 436411511 NXMSMUBDRVAWLC-UHFFFAOYSA-N 434.496 4.131 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 437007619 VVUAFMVEUGGNSA-UHFFFAOYSA-N 437.399 4.432 5 20 IIBD COc1ccc2c(c1)CCN(C(=O)c1cc(F)cc3c(=O)c4cc(F)ccc4[nH]c13)CC2 440039786 UFQRVAKUJKSQAG-UHFFFAOYSA-N 434.442 4.209 5 20 IIBD Cc1cc(=O)c(C(=O)Nc2cccc(CCC(F)(F)F)c2)nn1-c1ccccc1[N+](=O)[O-] 440698319 OKINTHHKIKLZPT-UHFFFAOYSA-N 446.385 4.196 5 20 IIBD O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCN(c2ccccc2O)CC1 442411386 OKUICDPRBGJTOO-UHFFFAOYSA-N 435.505 4.414 5 20 IIBD O=C(N[C@H]1CCOC2(CCSCC2)C1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444248781 NFEUKSYDROBGBT-AWEZNQCLSA-N 444.503 4.134 5 20 IIBD Cn1cc(CCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c2ccc(Cl)cc21 444391398 JTSPBVYIYPXTQG-UHFFFAOYSA-N 440.931 4.315 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cnc(-c4ccc5c(c4)OCO5)s3)n2)c1 445578930 JOWOUNFWMWBAOZ-UHFFFAOYSA-N 438.421 4.096 5 20 IIBD CC(C)N(Cc1ccc(Br)cc1)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 446894329 LJSFZTITNMRLTH-UHFFFAOYSA-N 446.305 4.354 5 20 IIBD COc1sc(/C=C2/CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)cc1Br 447028419 NZFJSWLKMKVTLE-TWGQIWQCSA-N 434.271 4.082 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N(C2CC2)[C@@H]2CCc3ccccc32)c(Br)c1 447041133 NDZCWUZGFBOKNO-QGZVFWFLSA-N 437.315 4.198 5 20 IIBD C[C@@H]1N(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CCc2ccccc2)CCC12CCOCC2 460427382 MNFSJJMGNSNSAD-IBGZPJMESA-N 447.539 4.491 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(Cc2ccsc2)n1C[C@H]1CCCO1 461250277 BNOYQVUWIQKZHE-HXUWFJFHSA-N 441.557 4.433 5 20 IIBD CCSCC[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCO1 461688540 XHAFUMNYPRZGIZ-LPHOPBHVSA-N 433.578 4.390 5 20 IIBD CC(C)NC(=O)Nc1ccc(CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)cc1 462503723 QCQZLXMAXJSGNK-UHFFFAOYSA-N 435.484 4.711 5 20 IIBD O=C(NCCc1ccccc1OC(F)(F)F)c1ccc([N+](=O)[O-])cc1Br 465079724 JUMIXBKMIJONPR-UHFFFAOYSA-N 433.180 4.228 5 20 IIBD CC[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1nc(C(F)(F)F)cs1 465270350 YXUBGPBNBFEPFN-GFCCVEGCSA-N 425.392 4.137 5 20 IIBD COc1ccc(N(C)C(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])cc1F 466894462 ACIHIJDKNDUQKC-UHFFFAOYSA-N 447.444 4.063 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CCCc2c([nH]c3c(F)cccc23)C1 467796324 FQROZQATKRJULE-UHFFFAOYSA-N 434.427 4.117 5 20 IIBD COc1ccc([C@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)c2cccc(S(C)(=O)=O)c2)cc1 467854111 UWABUIAFWNEBRY-HJPURHCSSA-N 440.521 4.447 5 20 IIBD COc1cc(C(=O)N[C@@H]2CCc3c[nH]nc3C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 468097750 UFXGAXAAIOTNGA-OAHLLOKOSA-N 442.859 4.060 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 469059175 VRIJOEWWYVIGSP-LPHOPBHVSA-N 427.526 4.459 5 20 IIBD CC1CCN(c2ccc(C(=O)NCc3nnc(-c4ccccc4)s3)cc2[N+](=O)[O-])CC1 470147580 PYHBCCUFVLILTN-UHFFFAOYSA-N 437.525 4.280 5 20 IIBD CC[C@H]1CN(C(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 470748030 ZYVDRZPBRJIHIY-PXNSSMCTSA-N 441.528 4.380 5 20 IIBD Cc1c(C(=O)N(c2ccccc2)C2Cc3ccccc3C2)nnn1-c1cccc([N+](=O)[O-])c1 470777946 AGEMMRLDWBODND-UHFFFAOYSA-N 439.475 4.298 5 20 IIBD O=C(CSCC(=O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 470997378 VDSODRJYUCQMBN-UHFFFAOYSA-N 434.473 4.380 5 20 IIBD Cc1nc(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)oc1-c1ccc(Cl)cc1 473596321 CADUMUWVEMXHPO-UHFFFAOYSA-N 437.843 4.327 5 20 IIBD COc1ccc(CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)c2nccs2)c(OC)c1 474747151 FYPRJRMYQNSZMB-UHFFFAOYSA-N 445.522 4.394 5 20 IIBD CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 475944022 BOYHDVDVGBLJMP-ROUUACIJSA-N 429.542 4.049 5 20 IIBD Cc1nn(CCC(=O)Nc2nc3ccccc3n2CCCc2ccccc2)c(C)c1[N+](=O)[O-] 476235000 RIIQKPVIZHCURD-UHFFFAOYSA-N 446.511 4.419 5 20 IIBD COC(=O)c1cccc(OCc2noc(-c3csc(-c4ccc([N+](=O)[O-])cc4)n3)n2)c1 476936160 GADINEUIUAWSLJ-UHFFFAOYSA-N 438.421 4.134 5 20 IIBD COC(=O)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)c1 478899463 GUXFUQGRQIOUNL-UHFFFAOYSA-N 436.420 4.364 5 20 IIBD COC(=O)[C@](C)(NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 479239018 XCWJITVNEQFYIX-QGZVFWFLSA-N 431.659 4.373 5 20 IIBD CC(C)[C@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 480376614 NFDYWXUYAFDVEJ-NRFANRHFSA-N 436.468 4.140 5 20 IIBD COC(=O)c1csc(-c2cccc(CNC(=O)c3cc(SC)ccc3[N+](=O)[O-])c2)n1 481641659 MPPPFIPQWICRRH-UHFFFAOYSA-N 443.506 4.157 5 20 IIBD C[C@H](NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1cccc([N+](=O)[O-])c1 484379542 UVWJJGUTTRODES-HNNXBMFYSA-N 429.473 4.386 5 20 IIBD COCCOc1ccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1 485507544 TWRPVQHGSVEGEC-CALCHBBNSA-N 427.501 4.355 5 20 IIBD CCOCCOc1ccc(Cl)cc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 486996968 ATVZWTHERICOBV-UHFFFAOYSA-N 430.848 4.102 5 20 IIBD Cc1nnnn1-c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)ccc1F 487037564 GCMFHKCZPXJAMB-UHFFFAOYSA-N 430.465 4.018 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)N2CCSCC2)cc1C 487065609 YDIABJWWPPVHBH-UHFFFAOYSA-N 445.566 4.457 5 20 IIBD O=[N+]([O-])c1ccc(SCc2cccc(OC(F)F)c2)c(S(=O)(=O)N2CCCC2)c1 487688160 LQAMIOHUPBYORL-UHFFFAOYSA-N 444.481 4.273 5 20 IIBD CSc1cccc(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)c1[N+](=O)[O-] 488101688 IIKHAYBEONNJSE-CYBMUJFWSA-N 436.331 4.088 5 20 IIBD CCn1c(S[C@H](C)C(=O)NCCC2=CCCCC2)nnc1-c1ccc([N+](=O)[O-])cc1 489391454 QQEWMHDFRXHIEW-OAHLLOKOSA-N 429.546 4.361 5 20 IIBD CCOC(=O)C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1 495141529 QPVZBAGWRIQIKH-QGZVFWFLSA-N 439.390 4.107 5 20 IIBD COC[C@H](C)n1ccc(NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n1 495196153 SUIWQKBFXQELSO-KRWDZBQOSA-N 432.484 4.464 5 20 IIBD CC(C)OC(=O)[C@H](C)N(C)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 495361277 ZQSPJEVXHZUTNG-AWEZNQCLSA-N 433.892 4.272 5 20 IIBD COCCN(C(=O)[C@@H](C)Oc1cccc(F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 498652749 DQHNSRPMLTVKEH-CQSZACIVSA-N 445.472 4.304 5 20 IIBD CC(C)(C)c1ccc(C(=O)Nc2cccc(C(=O)N3CCSCC3)c2)cc1[N+](=O)[O-] 500266000 HKUULJPBNJMXDS-UHFFFAOYSA-N 427.526 4.334 5 20 IIBD COc1cc(C(=O)N2CCC(COc3ccccc3)CC2)c([N+](=O)[O-])cc1OC(F)F 501614409 AGXJVTJKDOQHSJ-UHFFFAOYSA-N 436.411 4.136 5 20 IIBD CC(C)(C)c1ccc(C(=O)NCC2(c3ccc4c(c3)OCO4)CCOCC2)cc1[N+](=O)[O-] 502092477 RKERZAZOAWZBJY-UHFFFAOYSA-N 440.496 4.099 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)c(F)c1 503220810 IXYPJOKHKYCOBR-GOSISDBHSA-N 435.864 4.045 5 20 IIBD O=C(Cc1csc2ccc(Cl)cc12)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 503432896 IESZOYPZVMGTRR-UHFFFAOYSA-N 449.941 4.052 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@H](Oc2ccccc2Cl)C1 503548411 MEDOMSQZQWGPQT-LBPRGKRZSA-N 425.666 4.304 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 503608058 JSHHDZGZLXJBTJ-UHFFFAOYSA-N 430.530 4.217 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)Nc2ccc(C)cn2)CC1 504077464 SBUIFMYOWFCAHZ-UHFFFAOYSA-N 442.541 4.291 5 20 IIBD CC(C)(NC(=O)N[C@H]1COc2cc(F)c(Br)cc21)c1ccc([N+](=O)[O-])cc1 508647551 GRTMDBWPODELPN-HNNXBMFYSA-N 438.253 4.164 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)Nc2cc(F)ccc2Oc2ccccc2)cc1[N+](=O)[O-] 513415317 QBROSISXQHIOQN-UHFFFAOYSA-N 430.413 4.182 5 20 IIBD Cc1ccc(CN[C@@H](c2ccc([N+](=O)[O-])cc2)c2nccn2C)c(OC[C@H]2CCCO2)c1 513713870 UZOQDUPREWHTBZ-GGAORHGYSA-N 436.512 4.074 5 20 IIBD Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C 515630744 FRJYMYNJSFFIDI-GJZGRUSLSA-N 445.541 4.131 5 20 IIBD CC(=O)c1ccc(NCCC(=O)N(C)Cc2ccccc2Br)c([N+](=O)[O-])c1 518914765 HTWJTBWCZVLGKX-UHFFFAOYSA-N 434.290 4.021 5 20 IIBD O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1ccc(CNC(=O)c2cccs2)cc1 519094760 CQWPPINOHNBNOC-UHFFFAOYSA-N 447.476 4.024 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 519132210 KNKWKHMXDVEYKK-OAHLLOKOSA-N 427.457 4.430 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 519983021 RAIWSJZLFYVWOL-IBGZPJMESA-N 435.867 4.361 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCOc1ccc(Br)cc1 520962068 VICQTJLTCAEOON-LBPRGKRZSA-N 425.304 4.033 5 20 IIBD C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1 521379673 BVDRLQFMJWTHPA-MRXNPFEDSA-N 433.468 4.047 5 20 IIBD C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] 521488810 YSFORGQOQCPGJJ-ADLMAVQZSA-N 436.331 4.369 5 20 IIBD C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(NC(=O)NC2CC2)cc1 523492028 XQQFTWWBNNTXSF-LLVKDONJSA-N 447.289 4.132 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c1 523557205 GKDASHXIGCRGBG-OAHLLOKOSA-N 442.541 4.064 5 20 IIBD CN1CCN(C)[C@H](CNCc2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)C1 524640579 UMRNVZVPGOWTNQ-HXUWFJFHSA-N 426.561 4.020 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cn(Cc2ccccc2)nc1-c1cccs1 524691039 DNMPAXYBHVIWKN-UHFFFAOYSA-N 448.504 4.377 5 20 IIBD Cc1ccc(CCNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)o1 533401818 NXVWZANLRZKVRA-UHFFFAOYSA-N 431.495 4.006 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cccc(C(=O)NCc2ccccc2)c1 534233007 YMIFHPMZDDOMFR-UHFFFAOYSA-N 428.448 4.118 5 20 IIBD COC(=O)CCSc1cccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 534482385 DATSFOXRMWMVDA-UHFFFAOYSA-N 429.498 4.447 5 20 IIBD O=c1c(Br)cc([N+](=O)[O-])cn1Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 535160447 DSFMYADZZMUEMQ-UHFFFAOYSA-N 444.163 4.241 5 20 IIBD CCN(CCC1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1)CC(C)C 538032676 POKFPMMLNFRFLQ-UHFFFAOYSA-N 430.593 4.415 5 20 IIBD COC(=O)[C@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1ccc2ccccc2c1 538368071 VYGSWYLYSOBNCQ-JOCHJYFZSA-N 441.443 4.454 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c1 539523470 VOAQGHDPBAGWDG-OPAMFIHVSA-N 449.910 4.274 5 20 IIBD CC[C@H](N[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1c(C)noc1C 541638916 ZXRWPIFTFDKAAL-WBMJQRKESA-N 429.502 4.391 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CC[C@H](C(C)(C)C)C3)cc2)cc1[N+](=O)[O-] 542417169 NPLUOMASPKVBIM-KRWDZBQOSA-N 445.541 4.212 5 20 IIBD CCOCCOc1ccc(Br)cc1NC(=O)c1ccc(NC)c([N+](=O)[O-])c1 542773246 PEVRRZKXSAUJKZ-UHFFFAOYSA-N 438.278 4.067 5 20 IIBD COc1ccc(NC(=O)N[C@H](c2ccccc2)c2nc3ccccc3n2C)cc1[N+](=O)[O-] 542960250 VDONMEWPWXRVFG-OAQYLSRUSA-N 431.452 4.401 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCCSc3ccc(Cl)cc32)cc1 543596337 ZJSZFFJQNLWFQT-KRWDZBQOSA-N 426.947 4.239 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H](C)NC(=O)c2ccc(Br)s2)n1 546395994 WPBOVLBMCIYOLD-SECBINFHSA-N 437.275 4.268 5 20 IIBD CN(C(=O)c1cc(I)cc([N+](=O)[O-])c1)c1cccc2cccnc12 547364858 UMBGUMRHEVFUEQ-UHFFFAOYSA-N 433.205 4.024 5 20 IIBD Cn1ccnc1[C@@H](NCc1cccc(COCC(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 552063072 ODGJNBQCWNEPGA-IBGZPJMESA-N 434.418 4.286 5 20 IIBD Cc1ccc(Sc2ccc(CN3CCC[C@@H](CS(C)(=O)=O)C3)cc2[N+](=O)[O-])cc1 552278532 BKBUYLMTAIVFKD-GOSISDBHSA-N 434.583 4.311 5 20 IIBD COc1cc(OC)cc(C2(F)CCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)CC2)c1 555178202 PCYZILGXQYPPJO-UHFFFAOYSA-N 445.491 4.292 5 20 IIBD CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cc1 557203196 HBYHPJBJDUXQOW-CQSZACIVSA-N 436.555 4.380 5 20 IIBD CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 557371716 QPVIIWONOGHJCJ-UHFFFAOYSA-N 448.401 4.209 5 20 IIBD CCc1c(-c2nc(Cc3cc(OC)cc(OC)c3[N+](=O)[O-])no2)cnn1CCC(C)C 558385319 XEKKFEMNHDCIGR-UHFFFAOYSA-N 429.477 4.058 5 20 IIBD COc1cc(Cc2noc(-c3cnn(CC(C)C)c3C(F)F)n2)c([N+](=O)[O-])c(OC)c1 562481455 GYBCPSLCPTVSJU-UHFFFAOYSA-N 437.403 4.043 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(COC)OCCc2ccccc21 563526038 IAOOOXNIOZSALN-HSZRJFAPSA-N 444.553 4.331 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 569960693 PSIGCLWATBCIKN-LJAQVGFWSA-N 444.534 4.153 5 20 IIBD Cc1ccc(C2(CNC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)CCCC2)c(C)c1 571197423 VWVUECSGGHTTAY-LJQANCHMSA-N 439.512 4.037 5 20 IIBD O=C(NCCC(=O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1)c1ccc([N+](=O)[O-])cc1 573153773 ZCZDWGRFEORIFD-KRWDZBQOSA-N 449.429 4.140 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(-c2ccc(N3CCOCC3)cc2)no1 574556244 NRYKQIQQWRJYIB-UHFFFAOYSA-N 445.273 4.219 5 20 IIBD CC(C)(c1nc(-c2ccc(N3CCOCC3)c(F)c2)no1)c1ccc([N+](=O)[O-])cc1F 577660101 PUFWDYOPGNHFQN-UHFFFAOYSA-N 430.411 4.086 5 20 IIBD O=C(NC1(c2noc(-c3ccn(-c4cccc([N+](=O)[O-])c4)n3)n2)CCCC1)c1ccccc1 589153864 ZHSCZWGCNNNSDU-UHFFFAOYSA-N 444.451 4.030 5 20 IIBD Cn1cc([C@@H]2C[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3SC3CCCC3)CCO2)cn1 590402194 BVXNYKHORQDOEQ-BEFAXECRSA-N 430.530 4.013 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1ncc(Cc2ccc(F)c(F)c2)s1 603648977 GCFDELGUYARFIU-UHFFFAOYSA-N 433.440 4.154 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(OC(F)F)cc1OC(F)F 603976280 ADARSPXEAPMUKH-UHFFFAOYSA-N 444.746 4.252 5 20 IIBD Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)N3CCc4cc([N+](=O)[O-])ccc43)c12 604446574 GOZIXUVWGBBVGR-UHFFFAOYSA-N 440.463 4.112 5 20 IIBD COC(=O)c1ccoc1COc1cccc2c1N(C(=O)c1csc([N+](=O)[O-])c1)CCC2 608945107 UDICDENNSPAPHD-UHFFFAOYSA-N 442.449 4.208 5 20 IIBD COc1cccc(C2(CNC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CCCC2)c1 609376321 JHMIFUFTVHQFGX-UHFFFAOYSA-N 434.496 4.246 5 20 IIBD Cc1cc(OCc2ccccc2)ccc1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 609755273 FSGLXXUJHAYZBY-UHFFFAOYSA-N 429.436 4.315 5 20 IIBD O=C(CCn1cc([N+](=O)[O-])cn1)NCc1ccc(Br)cc1Oc1ccccc1 609755435 IXUOOCPBZJUCDV-UHFFFAOYSA-N 445.273 4.053 5 20 IIBD O=C(NC[C@@H]1OCCc2ccccc21)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 609859593 JISOTHMIFKLNMR-SFHVURJKSA-N 447.278 4.131 5 20 IIBD CSC[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 610003425 DICATYJVZSAGEG-GOSISDBHSA-N 426.947 4.243 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1 610192426 AGOOVVRPROMZAP-WMQCIHAUSA-N 426.469 4.329 5 20 IIBD O=C(Nc1ccc(F)cc1OC1CCCC1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 615091884 GYVJWSYJFDOSEL-UHFFFAOYSA-N 441.459 4.185 5 20 IIBD Cc1ccc(-c2cc(COC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)on2)cc1 726675132 QKFQYGUCQCISPO-QFIPXVFZSA-N 449.463 4.215 5 20 IIBD Cc1sc(NC(=O)C(C)C)c(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)c1C 727525871 LDVRFEJWQVPCOQ-UHFFFAOYSA-N 434.470 4.091 5 20 IIBD Cc1ccc(F)cc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727586465 PLXMHUDRZLBAAP-UHFFFAOYSA-N 426.370 4.415 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2cc(Cl)ccc2C)cc1SC 728657874 RCDQKZSPKHLOQQ-LLVKDONJSA-N 438.889 4.471 5 20 IIBD Cc1ccc(-n2nc(C(=O)O[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])c3c2CCC3)c(C)c1 730375425 JLXFFJUPLJRUNW-MRXNPFEDSA-N 448.479 4.070 5 20 IIBD CC[C@H](C)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)C(=O)Nc1cccc(N2CCCC2)c1 732028076 MOPCLDJHLUCXFS-YCRPNKLZSA-N 442.491 4.117 5 20 IIBD O=C(Nc1ccccc1C(=O)Nc1cnn(CC(F)F)c1)c1ccc([N+](=O)[O-])cc1Cl 735063953 DOUMOFNPTPWPFH-UHFFFAOYSA-N 449.801 4.214 5 20 IIBD C[C@@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@@H]1NC(=O)OC(C)(C)C 740829289 KPPPNMBNOACPBH-CJNGLKHVSA-N 446.529 4.094 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@@H](O)c3c(F)cccc3Cl)cc2[N+](=O)[O-])C1 741295429 GGDBOFXPZSXBGN-LAPQFRIASA-N 449.910 4.333 5 20 IIBD CN(Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)CC1(c2ccc(Br)cc2)CC1 742152856 KNBAMKHOWLUCRY-UHFFFAOYSA-N 442.317 4.237 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)c2cnn(-c3ccccc3)c2)CC1 744455037 CMTOZILOLDHEKF-UHFFFAOYSA-N 448.479 4.057 5 20 IIBD C[C@H](CC(=O)c1cccc(Br)c1)C(=O)OCCOc1ccc([N+](=O)[O-])cc1 745221882 VHAVTIUVUCRITN-CYBMUJFWSA-N 436.258 4.188 5 20 IIBD O=C(NCc1ccco1)c1cccc(COC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 745567988 IAAMKSBAVCHFGA-UHFFFAOYSA-N 448.353 4.494 5 20 IIBD CC(C)(C)OC(=O)NCc1nc(C(=O)OCc2cc(Cl)ccc2[N+](=O)[O-])cs1 746075368 FHOJIKANZLBTGJ-UHFFFAOYSA-N 427.866 4.086 5 20 IIBD C[C@@H](c1ccccc1)[C@](C)(O)C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 747350116 MUMMXOOWOXLQHX-FYSMJZIKSA-N 434.448 4.307 5 20 IIBD COC(=O)c1c(F)cccc1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1-c1cccs1 750985058 MAFHFRFSNYKLCD-UHFFFAOYSA-N 437.426 4.017 5 20 IIBD CN(Cc1ccccc1-c1ccccc1)C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 751188722 ADSYXKYBXKMCTD-IBGZPJMESA-N 447.466 4.412 5 20 IIBD O=C(CN(Cc1ccccc1)C[C@@H](O)c1ccco1)Nc1ccc(Cl)cc1[N+](=O)[O-] 752346004 JHQNSOOYKHSDTC-LJQANCHMSA-N 429.860 4.016 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)[C@@H](OC(C)(C)C)c2ccccc2)c([N+](=O)[O-])c1 754313616 SHOOJANSPQIVMT-LIRRHRJNSA-N 430.457 4.030 5 20 IIBD C[C@H](c1ccncc1)N1CCC(NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 755026963 CCWKEKIKBAXZPQ-CYBMUJFWSA-N 448.321 4.099 5 20 IIBD CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 755028024 ITVZDUAWTLMSPI-MRXNPFEDSA-N 447.333 4.343 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)O[C@@H](C(=O)NCc1ccccc1)c1ccccc1 759145395 GZIWSSFEYUOSAY-JOCHJYFZSA-N 436.489 4.288 5 20 IIBD Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 760071607 LXTXAKFNAMNRFJ-QGZVFWFLSA-N 438.887 4.291 5 20 IIBD COc1ccc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c(Cl)n1 760873664 UTWIHSXZNLADMQ-UHFFFAOYSA-N 442.646 4.397 5 20 IIBD CC(C)c1[nH]nc(-c2nc(-c3ccc(CNC(=O)OC(C)(C)C)cc3)no2)c1[N+](=O)[O-] 762313182 WVKFNOXIAJOKIY-UHFFFAOYSA-N 428.449 4.183 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2C[C@H](C)O[C@H](c3ccsc3)C2)c1=S 765081579 NEAMEHSOVVEXSH-KSSFIOAISA-N 445.570 4.490 5 20 IIBD O=C1/C(=C\c2ccc(Br)cc2[N+](=O)[O-])NC(=S)N1c1ccccc1Cl 767718346 UDQYOPOLRZDSBN-KPKJPENVSA-N 438.690 4.273 5 20 IIBD COc1ccc(Oc2ccc(NS(=O)(=O)c3cc(C)c(F)c([N+](=O)[O-])c3)cn2)cc1 768279391 MOMCMVQBAJGRFD-UHFFFAOYSA-N 433.417 4.039 5 20 IIBD O=C(NC[C@H](O)c1cccnc1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 768294106 ILHMJJKLJMAAAK-KRWDZBQOSA-N 429.885 4.258 5 20 IIBD CN(C(=O)CSc1ccc([N+](=O)[O-])cc1F)c1ccccc1C(=O)NCc1ccco1 768431568 AURPDVGURUOWNL-UHFFFAOYSA-N 443.456 4.012 5 20 IIBD Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3cc(Br)ncc3[N+](=O)[O-])o2)cc1C 769835883 GYBXWGPMEJURSM-LLVKDONJSA-N 447.245 4.337 5 20 IIBD Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c(C)c1 770155553 ASAYLHWHXBVABM-ZDUSSCGKSA-N 435.274 4.467 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccc(SC(F)F)nc3)cc2)c(C)c1[N+](=O)[O-] 771275231 AXRNFQGQHRKHLS-UHFFFAOYSA-N 433.440 4.418 5 20 IIBD CCc1nc2ccccc2n1C1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 771701795 LOWWLLDRNDHYHR-UHFFFAOYSA-N 435.484 4.305 5 20 IIBD C[C@H](C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cn(C)c2ccccc12 772843522 NCHGPNODKLTLJC-LBPRGKRZSA-N 449.385 4.391 5 20 IIBD Cn1c(COC(=O)c2sc(Br)cc2[N+](=O)[O-])nc2cc(Cl)ccc21 773596959 FDFWJJSMOUOCLD-UHFFFAOYSA-N 430.667 4.316 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2coc(-c3ccccc3Cl)n2)cccc1[N+](=O)[O-] 776438113 NOCRZBGDSNLCDN-LBPRGKRZSA-N 429.816 4.396 5 20 IIBD Cc1ccc(-c2cc(C(=O)OCCn3c([N+](=O)[O-])cnc3C)c3cnn(C(C)C)c3n2)cc1 777305925 BCMJVSUHGXZNMZ-UHFFFAOYSA-N 448.483 4.258 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)O[C@@H]([C@H]3CCOC3)C(F)(F)F)cc2[N+](=O)[O-])C1 778030361 GMABKMSEPTVZBS-HRJSJKBJSA-N 430.423 4.201 5 20 IIBD COc1ccc(NC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)cc1NC(=O)OC(C)(C)C 778234069 JEQXNMBSTGVQNO-UHFFFAOYSA-N 445.457 4.207 5 20 IIBD CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)O[C@H](C)c1cc([N+](=O)[O-])ccc1C 778762211 XHSAVKWFWZHCQV-UZLBHIALSA-N 430.526 4.368 5 20 IIBD COc1ccc(C)cc1[C@@H](C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 781628271 VAJSFLWZZJTWOA-UZLBHIALSA-N 426.469 4.129 5 20 IIBD O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781673855 WOYAAFJYLLXZFF-ICACTRECSA-N 449.488 4.034 5 20 IIBD O=C(COC(=O)c1cccc([N+](=O)[O-])c1Br)Nc1cccc(Cl)c1Cl 781674989 NFZMRDHFQVGEBS-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD O=C(NCc1ccc(OCC(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1Br 782121778 UBTOAXQBINLPQA-UHFFFAOYSA-N 433.180 4.228 5 20 IIBD COC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1F 782907074 QVJRVYBXLOIBNF-SECBINFHSA-N 444.341 4.370 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)Nc2ccc(Cl)c(Cl)n2)cc1[N+](=O)[O-] 783607660 SSGXABZOSWCVAY-UHFFFAOYSA-N 441.090 4.168 5 20 IIBD C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(c2ccccc2C(=O)O)CC1 783949440 KBWQZAUGGUDMJA-ZDUSSCGKSA-N 431.876 4.153 5 20 IIBD COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 787463952 JEQCPRAQDCNHRR-OAHLLOKOSA-N 448.907 4.016 5 20 IIBD Cc1cc(C)c(N2CC[C@H](OC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)C2=O)c(C)c1 789082593 JOKLPLLTOOGCFA-KRWDZBQOSA-N 434.395 4.084 5 20 IIBD CCOC(=O)c1csc([C@@H]2CCCN2Cn2c(=S)oc3ccc([N+](=O)[O-])cc32)n1 790483508 RQTSNEIECKZSJH-ZDUSSCGKSA-N 434.499 4.300 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCC1(c2ccc(Cl)cc2)CCOCC1 790577332 PDNVIUVPUALEHQ-UHFFFAOYSA-N 441.286 4.448 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Oc1ccc(-c2nncs2)cc1 795319341 DZAXSRNVYNTBRU-UHFFFAOYSA-N 432.266 4.188 5 20 IIBD CC(C)c1[nH]nc(C(=O)OCC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)c1[N+](=O)[O-] 796258779 WQBTWVNUEXHZFE-QGZVFWFLSA-N 442.516 4.259 5 20 IIBD Cc1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2c(F)ccc([N+](=O)[O-])c2C)s1 800600326 RNBWIYSXBWFXRD-UHFFFAOYSA-N 431.445 4.173 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)OCC(=O)N[C@@H](c2ccccc2)c2cccs2)c1F 803461984 CSOAEQMFUPDUEM-FQEVSTJZSA-N 428.441 4.166 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2-c2nc([C@@H](C)CNC(=O)c3ccccc3)no2)CC1 809430636 IQTDAFGKLAKIOO-KRWDZBQOSA-N 449.511 4.415 5 20 IIBD C[C@H]1[C@@H](c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)CCN1C(=O)OC(C)(C)C 809434014 RADFQRNVJUKTAY-WFASDCNBSA-N 427.461 4.163 5 20 IIBD O=C(Nc1cccnc1)c1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 815123283 ZYKCILWUGLIVOW-UHFFFAOYSA-N 431.326 4.480 5 20 IIBD C[C@H](c1ccc(F)cc1)N1CC[C@H](OC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1=O 815180887 YNGAKBAHDQRSDN-PXAZEXFGSA-N 428.441 4.468 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H](c1ccccc1)N1CCCCC1=O 815207310 BDXQFXXRVOVPBX-LJQANCHMSA-N 436.386 4.411 5 20 IIBD O=C(COC(=O)CSc1ccc2c3c(cccc13)CC2)Nc1cc([N+](=O)[O-])ccc1F 846254419 KVCPYHLPJLJHEG-UHFFFAOYSA-N 440.452 4.260 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cc2ccc(Br)cc2[nH]1 914882975 WCTCJKAMVYJAFW-UHFFFAOYSA-N 443.213 4.246 5 20 IIBD Cc1onc(-c2ccc(F)cc2)c1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 914925156 ZNTSBFOKSJIXMP-UHFFFAOYSA-N 433.779 4.146 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 915814922 QNFIVWGICCNZTN-UHFFFAOYSA-N 448.435 4.258 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1[N+](=O)[O-] 916189817 FXBKSJLPDKAHGW-JTQLQIEISA-N 449.337 4.196 5 20 IIBD O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 918026257 DPLWBHZVJWKLPV-LLVKDONJSA-N 438.271 4.179 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)CC1 918347671 IUDRTQMAAYNGTJ-JOCHJYFZSA-N 428.508 4.003 5 20 IIBD COc1cc(C(=O)Oc2ccc(C)cc2OC)c([N+](=O)[O-])cc1OCc1cscn1 919979112 RRHJVEDITOWBIU-UHFFFAOYSA-N 430.438 4.175 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1-c1nc([C@@H](NC(=O)OC(C)(C)C)c2ccccc2)no1 1119616593 URRXWXHFAWIPRB-SFHVURJKSA-N 439.472 4.325 5 20 IIBD Cc1c(NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cccc1C(N)=O 1253258653 KVFPXWRPOZSBPN-UHFFFAOYSA-N 427.464 4.467 5 20 IIBD O=[N+]([O-])c1cnn(CCc2nnc(-c3ccc(COc4ccc(Cl)cc4)cc3)o2)c1 1322296022 DYMONSPFABCFLA-UHFFFAOYSA-N 425.832 4.316 5 20 IIBD Cc1ccc(OCc2nnc([C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)o2)cc1C 1341296771 UGSUPAGJIYQVQD-OAHLLOKOSA-N 428.470 4.212 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Oc3ccc(N4CCOC4=O)cc3)cc2[N+](=O)[O-])C1 1341788227 UWJZTBOSAAMNDX-HOTGVXAUSA-N 439.468 4.253 5 20 IIBD Cc1ccncc1CCC(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1 1786876472 NSROXPJMSOZVGM-UHFFFAOYSA-N 448.479 4.272 5 20 IIBD Cc1oncc1C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)CCC1 1790621965 GULHSSJVVUZHGO-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD O=C(/C=C/C1CCCC1)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823615006 JXEDCWLLMFOZQX-LHUXKHBRSA-N 429.517 4.168 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OC(F)F 8854280 QUIHDQXYNRCOPU-VIFPVBQESA-N 444.774 4.042 5 20 IIBD CN(C(=O)COc1ccc(Br)cc1Br)c1ccc([N+](=O)[O-])cc1 9653632 UEYOQDKTKTXIKB-UHFFFAOYSA-N 444.079 4.162 5 20 IIBD C[C@H](OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC(c1ccccc1)c1ccccc1 10759556 JWJNUURDDCEEHT-UMADGWCESA-N 430.460 4.446 5 20 IIBD C[C@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1cccnc1 17801921 VLCPUIAOQLGEOS-KRWDZBQOSA-N 427.464 4.262 5 20 IIBD O=C(CSc1nnc(C2CC2)n1Cc1ccco1)Nc1ccc(Cl)c([N+](=O)[O-])c1 21685139 WDCPDKMKYFPWCM-UHFFFAOYSA-N 433.877 4.089 5 20 IIBD CC(=O)Oc1ccc(-c2ccc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])cc2)cc1 21735588 MGDKBIKOAIDPSS-HNNXBMFYSA-N 448.431 4.371 5 20 IIBD CCc1nc2ccc(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2nc1CC 22041511 XXVAQYDWELEJKR-UHFFFAOYSA-N 442.859 4.112 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1cc2ccccc2o1 22243744 XWIHMZMITDMMNZ-UONOGXRCSA-N 437.452 4.338 5 20 IIBD CCOc1ccc([C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)c2ccccc2)cc1 32436019 UXSMFHDQJPKIBS-JOCHJYFZSA-N 442.493 4.070 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC=C(c2cccc3ccccc23)CC1 60684331 SZMIYBBCIICPIU-UHFFFAOYSA-N 431.448 4.011 5 20 IIBD O=C(NCCNc1ccccc1[N+](=O)[O-])c1oc2ccccc2c1CSc1ncccn1 63501075 CFPFHVUMQPADBD-UHFFFAOYSA-N 449.492 4.265 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCCN(CC2CCCCC2)CC1 65114916 GFPQOXKSUVQDAR-UHFFFAOYSA-N 428.558 4.447 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3cnc(-c4ccccc4)nc3)cc2)c(C)c1[N+](=O)[O-] 248056613 YVFJBEQIEQACPF-UHFFFAOYSA-N 428.452 4.166 5 20 IIBD CCOc1cc(C(=O)N[C@H](Cc2ccc(C)cc2)c2ccccn2)c([N+](=O)[O-])cc1OC 303581715 DVVFWKIXAFRVAB-HXUWFJFHSA-N 435.480 4.419 5 20 IIBD CC(C)N(Cc1ccc(-c2ccc(F)cc2)s1)C(=O)NCCn1cc([N+](=O)[O-])cn1 426982463 SIOYZEQCFIBWLQ-UHFFFAOYSA-N 431.493 4.279 5 20 IIBD O=C(Cc1csc(Cc2cccc(Cl)c2)n1)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 426994436 ZORIYSYBIQARGP-UHFFFAOYSA-N 427.873 4.353 5 20 IIBD COc1ccccc1[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccco1 431112765 CYEZUVMKRBUUEF-GOSISDBHSA-N 431.242 4.478 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)c(Cl)cc2C(=O)OC)cc1OC 431177249 GQYZJNZGUKMNQG-UHFFFAOYSA-N 443.239 4.348 5 20 IIBD COCCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@H](C)c1cccc(C(F)(F)F)c1 434188757 YTNJKMWSYUHQRL-GFCCVEGCSA-N 428.411 4.310 5 20 IIBD CC(C)CCSc1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)cc1[N+](=O)[O-] 436230691 IPUJWJLKUZCICR-MSOLQXFVSA-N 433.574 4.254 5 20 IIBD CN(CCCc1nc2ccccc2[nH]1)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 436313812 XRRBGOFFAIZRME-UHFFFAOYSA-N 428.467 4.402 5 20 IIBD CCC[C@]1(C)CCCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 437367890 ABENCEOJXKSPAH-JOCHJYFZSA-N 445.541 4.438 5 20 IIBD Cc1ccc(-c2cnc(SC[C@H](O)Cn3cc([N+](=O)[O-])cn3)n2-c2ccccc2)cc1 438792974 PPLITPGKEADAKE-HXUWFJFHSA-N 435.509 4.106 5 20 IIBD CC(C)CN1CCCC[C@H]1CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 439684549 BJFYGUHLLFJVNW-ICSRJNTNSA-N 439.560 4.403 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C 439866167 BJVUWANSTJTLAR-GOSISDBHSA-N 429.864 4.292 5 20 IIBD CC1(C)CN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)[C@@H]2CCC[C@H]2O1 441573398 ZORCHHWIBGDMGD-HZPDHXFCSA-N 439.299 4.259 5 20 IIBD Cc1cc(=O)c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)nn1-c1ccccc1 444011011 RDTBOTFTDMKKDF-UHFFFAOYSA-N 440.459 4.296 5 20 IIBD O=C(NCc1cccc(N2CC=CC2)c1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444099097 ZWANEXOOZYRPQW-UHFFFAOYSA-N 431.442 4.266 5 20 IIBD Cn1cc(CCNC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c2ccc(Cl)cc21 444441311 UNKBZFSEBITSPU-UHFFFAOYSA-N 438.871 4.026 5 20 IIBD NC(=O)c1ccc(CN[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 444743487 ZGMLCHFVGCWPLU-AWEZNQCLSA-N 435.324 4.496 5 20 IIBD Cn1nc(-c2ccncc2)cc1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444744541 MZOWENGZJAPRAY-UHFFFAOYSA-N 431.402 4.007 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)Cc1noc(-c2cc(Cl)cc([N+](=O)[O-])c2)n1 445309244 GVBWAIPKHGBQBV-UHFFFAOYSA-N 437.239 4.450 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CCOc2ccc(Br)cc21 446034091 WJWLRJAZHKCWHK-OAHLLOKOSA-N 436.262 4.353 5 20 IIBD O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCc2ccc([N+](=O)[O-])cc2C1 446424317 JUKUKNBLHWGMAV-UHFFFAOYSA-N 425.448 4.041 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O 446440140 ZUMOPWRQUXAYTJ-AWEZNQCLSA-N 427.457 4.063 5 20 IIBD CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 446717678 DIMYRWUUFPNIMD-MRXNPFEDSA-N 428.489 4.081 5 20 IIBD COc1cc(CCNC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])cc1OC 460794365 NOYFARMMBKXWLE-HOTGVXAUSA-N 439.295 4.381 5 20 IIBD O=C(N[C@@H]1CCCc2occc21)c1cc(C(=O)N[C@@H]2CCCc3occc32)cc([N+](=O)[O-])c1 460868130 ASXZKFJZWPSMNE-WOJBJXKFSA-N 449.463 4.396 5 20 IIBD C[C@@H]1[C@@H](C(F)(F)F)CCCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCO1 461179874 NRFRZPRQEOMGTH-COXVUDFISA-N 439.438 4.200 5 20 IIBD CCO[C@H]1C[C@@H](NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C12CCCCC2 461543182 HRMBRWXCANMXEB-SJORKVTESA-N 428.432 4.063 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1 462165803 RDXLYELKTABMAJ-CVEARBPZSA-N 431.297 4.100 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnn1Cc1cccc(OC)c1OC 462431456 XDQPTZJLNXBATF-QGZVFWFLSA-N 438.484 4.064 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 462437850 BMVQITIPTWSHEZ-GCJKJVERSA-N 445.947 4.007 5 20 IIBD C[C@H]1C[C@@H](c2cccc(F)c2)N(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 462729404 PMGOPJOKGFTFJO-GTNSWQLSSA-N 443.294 4.268 5 20 IIBD CCN(C(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@@H](c1cccnc1)c1ccc(F)cc1F 463845447 NBNSBLGKNRECLS-QHCPKHFHSA-N 440.450 4.342 5 20 IIBD Cc1cc(N(C)C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)ccn1 464171552 SYBGJXGIAZFMCT-UHFFFAOYSA-N 427.464 4.356 5 20 IIBD O=C(c1cnn(Cc2ccccc2Cl)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464625044 GOTRYHPFEDCOLT-UHFFFAOYSA-N 440.887 4.177 5 20 IIBD C[C@@H](C(=O)Nc1nc2ccccc2s1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464772864 HGUVBHGMSHUNPU-AWEZNQCLSA-N 426.498 4.075 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ccccc1COCc1ccccc1 465024522 DYIDTRCDVKXUBG-UHFFFAOYSA-N 434.448 4.264 5 20 IIBD Cc1sc(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3n2C(C)C)cc1[N+](=O)[O-] 467079532 PDZHDEDTBLFSOQ-INIZCTEOSA-N 434.543 4.421 5 20 IIBD Cn1cc(C(=O)NC2CC(c3ccc(F)c(Cl)c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 467874472 LONZUMWREFLJQO-UHFFFAOYSA-N 428.851 4.464 5 20 IIBD Cn1nc([C@@H]2CCCOC2)cc1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 468623119 WZKVJGBDCKPTGI-QGZVFWFLSA-N 436.468 4.054 5 20 IIBD COc1cc(OCC(=O)N2CCSc3ccc(C(F)(F)F)cc32)ccc1[N+](=O)[O-] 468775493 AZRWFPUEHJQBTE-UHFFFAOYSA-N 428.388 4.140 5 20 IIBD O=C(NC[C@H](O)C1CC1)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 469901516 ZTROYUPTPFTYLV-HNNXBMFYSA-N 426.416 4.266 5 20 IIBD COc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])ccc1Br 471494890 FUISTIHXXDISGK-SECBINFHSA-N 429.654 4.425 5 20 IIBD O=[N+]([O-])c1ccc2nc(CSc3nnc(-c4ccccn4)n3-c3ccccc3)[nH]c2c1 473786565 PZFTXHVRSNIEIP-UHFFFAOYSA-N 429.465 4.406 5 20 IIBD COc1cc(CNc2cccc(NC(=O)N(C)C)c2C)c([N+](=O)[O-])cc1OCC(F)F 475356922 OHGCKAFEUAGOFR-UHFFFAOYSA-N 438.431 4.261 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C(=O)N1Cc2ccccc2C1 477485977 GISVNMCRZOIAIX-HNNXBMFYSA-N 427.526 4.148 5 20 IIBD CC1(C)C[C@@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)C(C)(C)O1 478049475 MDSRSVROSAGWOF-OAHLLOKOSA-N 449.554 4.208 5 20 IIBD COc1cc(C(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)cc([N+](=O)[O-])c1C 482358390 DZMHFZYDHSCZED-HOYKHHGWSA-N 448.479 4.156 5 20 IIBD COc1cc(CN[C@@H](C)c2ccc(Br)cn2)c([N+](=O)[O-])cc1OC(F)F 482950547 ABAAAZBZWYXGMW-VIFPVBQESA-N 432.221 4.213 5 20 IIBD CCOc1cc(C(=O)N(CC(=O)Nc2ccc(F)cc2)C(C)(C)C)c([N+](=O)[O-])cc1OC 484191453 LKCLYCBRZBRMQT-UHFFFAOYSA-N 447.463 4.021 5 20 IIBD O=C(c1cccc(F)c1)N1CCCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 485401425 UFLLYIRFVUKXOG-UHFFFAOYSA-N 438.434 4.288 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(NC(=O)c2ccoc2)c1 486246143 QZIXYNDELVUXFZ-UHFFFAOYSA-N 441.465 4.431 5 20 IIBD Cc1nc(N2CCOCC2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C 489225168 QTBMYEKQGWURHZ-UHFFFAOYSA-N 430.530 4.135 5 20 IIBD CCN(CC)[C@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccco1 495143070 ZELYLYUOGHUWDJ-MRXNPFEDSA-N 428.411 4.089 5 20 IIBD CC(C)c1c(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)cnn1-c1cccc(Cl)c1 497874357 PEFSQTMMIFDWJU-UHFFFAOYSA-N 427.892 4.399 5 20 IIBD COc1ccncc1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 498402350 CUDYWFSSKVMNQR-UHFFFAOYSA-N 429.436 4.032 5 20 IIBD COc1cc(OCC(=O)N[C@@H](C)[C@H](C)c2ccccc2C(F)(F)F)ccc1[N+](=O)[O-] 500145638 SRFXYGGOXWWNAM-STQMWFEESA-N 426.391 4.309 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCO[C@H](c2cccc(Br)c2)C1 500656200 JRMGSGVWHHCNND-IBGZPJMESA-N 448.317 4.068 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)N2CCOCC2)ccc1C 503109890 KDUCKSWIAVYXAV-UHFFFAOYSA-N 443.525 4.130 5 20 IIBD CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 504912555 XLSIFNZILZOYAK-VQTJNVASSA-N 427.570 4.289 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCO[C@H](c2ccccc2Cl)C1 505148333 HKJZRCGLCPLLDY-XIKOKIGWSA-N 425.268 4.269 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccc(Cn3cncn3)cc2)cc1[N+](=O)[O-])c1ccccn1 506201976 GLUBBMDBCPMTLW-INIZCTEOSA-N 443.467 4.055 5 20 IIBD COc1ccc(-c2nc(C)c([C@H](C)NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)s2)cc1 506253735 JTCMQYDFQKEDEZ-AWEZNQCLSA-N 447.538 4.383 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1ncc2c(n1)-c1ccccc1SC2 508087988 IKMUMIOBYDIPIC-UHFFFAOYSA-N 442.522 4.045 5 20 IIBD O=C(Cn1c(-c2ccc([N+](=O)[O-])cc2)noc1=O)Nc1c(Cl)cc(Cl)cc1Cl 509065393 CCDWEELHXFBDKP-UHFFFAOYSA-N 443.630 4.010 5 20 IIBD O=C(O)CCNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2 509206652 BGSYOQIMZWQXEP-PEZBUJJGSA-N 431.448 4.224 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CCCc1cc(-c2ccccc2)no1 509691040 ABPACRZUVBLSCR-UHFFFAOYSA-N 429.498 4.066 5 20 IIBD CCC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(N2CCCC2)c1 510038754 HFIMZWNUFQTDJL-FQEVSTJZSA-N 425.489 4.124 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1 510184093 JDLUJNPUYXNJHU-UHFFFAOYSA-N 434.452 4.276 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1cccc(OC(F)F)c1 510478470 MLUIGNWZWVFZJN-UHFFFAOYSA-N 448.163 4.362 5 20 IIBD C[C@H](Nc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl)c1cccc([N+](=O)[O-])c1 515502525 DLCORICAGYWFBZ-JTQLQIEISA-N 439.781 4.381 5 20 IIBD CS(=O)(=O)c1cc(C(=O)Nc2ccccc2Oc2cccc(F)c2)cc([N+](=O)[O-])c1 516774821 JSKNADICDNJWKN-UHFFFAOYSA-N 430.413 4.182 5 20 IIBD CNC(=O)c1cccc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1C 518466815 IYWQCPSBKFDQCR-HNNXBMFYSA-N 433.468 4.083 5 20 IIBD C[C@@H]1CSc2ccc(Br)cc2[C@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 519148831 ZACCKHPNVCEWJP-HWPZZCPQSA-N 443.344 4.119 5 20 IIBD CN(C)CCCOc1cccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 521080435 UNQAZUPPXPBJMP-UHFFFAOYSA-N 426.498 4.301 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)cc([N+](=O)[O-])c1 522542173 RHCQDJVTWLIKIG-SFHVURJKSA-N 434.901 4.355 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)NCc1cccc(NC(=O)Nc2ccccc2)c1 523671858 OWGAONIJWREZDT-UHFFFAOYSA-N 449.467 4.117 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O 531495285 PVRFSEMGIIAVPU-UHFFFAOYSA-N 446.385 4.337 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CN3CCCC[C@H]3c3nc(-c4ccccc4)no3)n2)cc1 532963571 BWADDVBLPYEYLP-SFHVURJKSA-N 432.440 4.422 5 20 IIBD CC[C@H](NC(=O)c1cc(SC)ccc1[N+](=O)[O-])[C@@H](c1ccc(C)cc1)n1cncn1 535206844 UNSVWMWADZTPRT-AZUAARDMSA-N 425.514 4.015 5 20 IIBD COc1cc(C[S@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)ccc1OC(F)F 536304756 FJXJMKPXEBUAJT-PMERELPUSA-N 438.408 4.309 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCc2cc(Cl)sc2Cl)ccc1[N+](=O)[O-] 536561953 ODRQUIZSNAFVGP-AWEZNQCLSA-N 442.324 4.193 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 538350636 NLKZOEWLMDSIMP-BBRMVZONSA-N 429.326 4.126 5 20 IIBD CCN(c1ccccc1)c1ccc(CNC(=O)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1 541144144 RBLQEVNDDPZEOM-UHFFFAOYSA-N 448.479 4.016 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])Nc1cc(F)ccc1NC(=O)c1ccccn1 542213291 GVUIGELJLTVTGE-UHFFFAOYSA-N 426.429 4.112 5 20 IIBD CCC(=O)Nc1cccc(-c2noc(CSCc3ccc(OC)c([N+](=O)[O-])c3)n2)c1 544949156 IRLAKSXCIBLUFR-UHFFFAOYSA-N 428.470 4.435 5 20 IIBD Cn1ccc([C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c2ccc(Cl)cc2)n1 545110551 NSNXDHNFNULRTK-KRWDZBQOSA-N 449.692 4.264 5 20 IIBD COc1ccc(CCN(Cc2ccccc2)C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cc1 550830310 IWHMFRFLGGWVQE-UHFFFAOYSA-N 448.475 4.260 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N1CC(C(F)(F)F)C1 551901689 NYODSVJILMWXRU-UHFFFAOYSA-N 430.386 4.011 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 552762253 XYWHVPBRXBKJNJ-FXAWDEMLSA-N 442.516 4.194 5 20 IIBD Cc1ccc(C[C@@H]2CCCN(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)C2)cc1 557699845 BCUDSYPNQZSCKY-RBUKOAKNSA-N 441.553 4.051 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3ccc(Br)cc3n2CC)c1 558801545 AIVJTHLQZLLASL-UHFFFAOYSA-N 433.262 4.378 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(Cl)cc(F)c2Br)cc([N+](=O)[O-])c1 559580480 WBFKLCVHTMNYAR-UHFFFAOYSA-N 431.601 4.189 5 20 IIBD Cc1cc(CC(C)(C)c2nc(-c3c([N+](=O)[O-])nc(C)n3C)no2)ccc1Br 559978046 NDWBLYDXBAJJHS-UHFFFAOYSA-N 434.294 4.278 5 20 IIBD O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CC2(CCC2)[C@@H]1c1ccccc1 560315527 WITOCFKOELKDNJ-KRWDZBQOSA-N 444.285 4.050 5 20 IIBD O=[N+]([O-])c1cc2c(N[C@H]3CCN(c4cccc(OC(F)(F)F)c4)C3)ncnc2s1 561230705 WLLKASQSBYUIFG-JTQLQIEISA-N 425.392 4.189 5 20 IIBD CC[C@@H](C)N(Cc1nc(O)c2ccccc2n1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 564203671 IYJIZGWEVDKYSY-CQSZACIVSA-N 434.456 4.094 5 20 IIBD COc1cc(OC)cc(Oc2ccc(CNCc3cc(OC)c(O)cc3[N+](=O)[O-])cc2)c1 567067761 NTGZTOJUOHJTPL-UHFFFAOYSA-N 440.452 4.408 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC([C@@H](F)c2ccccc2F)CC1 567973051 UJKJLQSMKBDLJW-HXUWFJFHSA-N 431.439 4.184 5 20 IIBD C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 571482731 RSAVOSVMYQTGKB-DGCLKSJQSA-N 443.294 4.063 5 20 IIBD O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 580262199 OINOHEYASAFQOO-UHFFFAOYSA-N 431.355 4.009 5 20 IIBD O=[N+]([O-])c1cc(CN[C@H]2CS(=O)(=O)c3ccccc32)ccc1Oc1ccc(F)cc1 582378315 YAQDJEIHTJLZPY-SFHVURJKSA-N 428.441 4.144 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N1CC[C@H](Oc2ccc(Cl)cc2)C1 583460160 OOYSSCVWCBYPJF-NSHDSACASA-N 431.695 4.366 5 20 IIBD CCOC(=O)c1c(NC(=O)Cc2ccccc2[N+](=O)[O-])sc2c1CC(C)(C)NC2(C)C 598911043 BTMFUVNSOWZZHL-UHFFFAOYSA-N 445.541 4.174 5 20 IIBD CCOC(=O)c1c(NC(=O)c2csc([N+](=O)[O-])c2)sc2c1CC(C)(C)NC2(C)C 603743630 ABYDLNQDXGKIMP-UHFFFAOYSA-N 437.543 4.306 5 20 IIBD COc1ccc(/C=C2/CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)cc1Br 603781422 VYLMDIPRFPFIGF-WQLSENKSSA-N 428.242 4.020 5 20 IIBD CCN(CC)[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccsc1 603829830 TWPPXXCGGTYDOV-OAHLLOKOSA-N 428.461 4.462 5 20 IIBD O=C(NCc1cc(Br)c2c(c1)OCCO2)Nc1ccc([N+](=O)[O-])cc1Cl 604460068 LKTGSRZJVUOFEZ-UHFFFAOYSA-N 442.653 4.104 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 608880022 NVTWRWNDNDVLPD-INIZCTEOSA-N 447.495 4.195 5 20 IIBD COCCOc1ccc(F)cc1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 608980566 DLAPHGZYPNITDV-NSHDSACASA-N 445.369 4.217 5 20 IIBD CN(C)CCc1ccc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cc1 609857798 QGHNHOIJXFXPAX-UHFFFAOYSA-N 448.310 4.444 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCCC[C@@H]1c1ncc[nH]1 609874811 GUCQSDAUOGZOOM-OAHLLOKOSA-N 435.271 4.178 5 20 IIBD C[C@@H]1CN([C@H](CNc2ncc([N+](=O)[O-])cc2Cl)c2c(F)cccc2Cl)CCO1 609891768 MBJYGQPZLQLHGC-BDJLRTHQSA-N 429.279 4.310 5 20 IIBD Cc1ccc(NCCCNC(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)c([N+](=O)[O-])c1 610102164 ICSWFEHTSLHHAA-LJQANCHMSA-N 440.500 4.023 5 20 IIBD C[C@H](N[C@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 610816004 ZNOZRKMNEXIWRZ-HOTGVXAUSA-N 436.537 4.352 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccc2c(cnn2C(F)F)c1 610961943 SGERABCQRQYRHN-UHFFFAOYSA-N 425.189 4.283 5 20 IIBD Cc1noc(C)c1CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC1 611200195 MPTRPJPALLNZQE-UHFFFAOYSA-N 444.557 4.192 5 20 IIBD CN(CC(=O)NCc1cccs1)C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611205969 OQBSNRWGZQXBLB-UHFFFAOYSA-N 433.555 4.079 5 20 IIBD COc1cccc(CC2CCN(C(=O)COc3ccc([N+](=O)[O-])c4cccnc34)CC2)c1 612335454 VORQHAJDZAMQNA-UHFFFAOYSA-N 435.480 4.012 5 20 IIBD CCOc1cccc(CNC(=O)CSc2nc3cc4ccccc4cc3c(=O)n2CC)c1 613972866 IDVCCHRMZGCWQJ-UHFFFAOYSA-N 447.560 4.377 5 20 IIBD COc1cccc(C[C@@H]2CCCN2C(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 615050886 HKIOXCBHJWEVJO-FQEVSTJZSA-N 426.516 4.397 5 20 IIBD COc1ccc(CNC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c(C(F)(F)F)c1 726511666 YDWOQXCYRFUYKV-UHFFFAOYSA-N 433.180 4.315 5 20 IIBD COc1ccc2c(c1)C(=O)N(C)[C@@H](c1cc(OC)c(OCc3ccccc3)cc1[N+](=O)[O-])N2 726605223 LEIGLBTTWCYJLW-QHCPKHFHSA-N 449.463 4.387 5 20 IIBD O=C(NCc1ccncc1)Nc1cccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 728149359 ILHPGVFMVSZOOY-UHFFFAOYSA-N 425.832 4.217 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1SC 728463153 ZYHYYVBICFTSKX-UHFFFAOYSA-N 435.889 4.358 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccccc1OCc1cccs1 730612837 AEVBEMATDLWFGX-UHFFFAOYSA-N 426.450 4.339 5 20 IIBD O=C(COc1ccc(C2SCCCS2)cc1)NCCOc1ccc([N+](=O)[O-])cc1 731586518 GCHPCXBEDATHDS-UHFFFAOYSA-N 434.539 4.038 5 20 IIBD COc1ccccc1Oc1ccc(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])cc1F 731617107 LEPDRPXKOPTGQE-UHFFFAOYSA-N 440.383 4.365 5 20 IIBD O=C(OCc1nc2ccccc2c2ccccc12)c1nn(-c2ccc(F)cc2)ccc1=O 731747109 ZURDUSMMVNKJHA-UHFFFAOYSA-N 425.419 4.430 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H](O)c3ccc(OC(F)(F)F)cc3)cs2)c1 733326329 WZOZIXQWMMVTAT-QGZVFWFLSA-N 439.415 4.440 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 733520970 MXAVIYCFXYMMFQ-LBPRGKRZSA-N 440.374 4.298 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1ccc(F)cc1OCC1CC1 740812847 FEVIRQIDYYAHAJ-UHFFFAOYSA-N 445.266 4.086 5 20 IIBD Cc1cc(=O)c(C(=O)OCc2ccc(Cl)c([N+](=O)[O-])c2)nn1-c1cccc(Cl)c1 741932473 VXYBWJMEIOIIOO-UHFFFAOYSA-N 434.235 4.113 5 20 IIBD CC[C@H](C)[C@](C)(O)CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 742200178 ISWIYBLJLKIFPZ-YEJXKQKISA-N 433.892 4.027 5 20 IIBD COc1cc(CCNC(=O)/C=C(\C)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC 742498411 IEVSALIZWDPUHT-UKTHLTGXSA-N 438.402 4.393 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)c1 743838422 VDLOQWKKSQKSTN-CYBMUJFWSA-N 430.848 4.253 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@H](C)OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 745565404 MOAYIKNDPARUAB-NSHDSACASA-N 426.347 4.115 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCc2ccccc2OC[C@@H]2CCCO2)cc1SC 747146760 DNHDMFSPDZXTEU-HNNXBMFYSA-N 433.482 4.240 5 20 IIBD Cc1c(COC(C)(C)C)cccc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 747346714 SNBWPCQGKRYBKF-INIZCTEOSA-N 443.475 4.349 5 20 IIBD C[C@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 747957850 CZMDJSOZUMDEKX-PEEYHIECSA-N 443.525 4.205 5 20 IIBD O=C(Nc1nnc(C(F)(F)F)s1)c1cc(Br)cc([N+](=O)[O-])c1Cl 749422436 UGVZFWINDCJWKE-UHFFFAOYSA-N 431.577 4.133 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)[C@H]2OCCc3ccccc32)c2ccccc2)c([N+](=O)[O-])c1 750079819 UXOREPLBPWDITG-GOTSBHOMSA-N 446.459 4.440 5 20 IIBD O=C(N[C@H]1CCOc2ccc(F)cc21)c1cc(Br)cc([N+](=O)[O-])c1Cl 750863879 BATQAZCRWFFPFI-LBPRGKRZSA-N 429.629 4.403 5 20 IIBD O=C(NCc1cccc(NC(=O)C2CCC2)c1)c1cc([N+](=O)[O-])ccc1Br 751080640 YLKJOIKWRXECDZ-UHFFFAOYSA-N 432.274 4.026 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)ccc1N1CCSCC1 751128963 IYMJDOBHSMCZIX-UHFFFAOYSA-N 436.331 4.471 5 20 IIBD Cc1ccnc(-n2c(SCc3nc4cc([N+](=O)[O-])ccc4o3)nc3ccccc3c2=O)c1 751465596 HLMJSGLOCJCSBC-UHFFFAOYSA-N 445.460 4.431 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N(Cc1ccco1)CC(F)(F)F 754993658 GPKHFJBFYGALMK-UHFFFAOYSA-N 425.132 4.294 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC[C@@H]1Cc1ccc(F)cc1 754994539 RYGYIYXKAMAZDO-CQSZACIVSA-N 425.229 4.483 5 20 IIBD Cc1sc(C(=O)NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1-c1ccc(F)cc1 756216786 GGWUUVZSOIWRPE-UHFFFAOYSA-N 434.470 4.031 5 20 IIBD COc1cc(CN(C)C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c(SC)cc1OC 756967488 PLPXXECDSIZXHP-UHFFFAOYSA-N 439.921 4.329 5 20 IIBD CO[C@](C)(C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1F 757793895 UYPLNQHAFKFFKB-QHCPKHFHSA-N 438.411 4.453 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(-c3nccs3)c2)ccc1Br 760345621 WASVZHRSPAQXBS-UHFFFAOYSA-N 440.300 4.282 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccccc1)c1ccccc1)c1cc([N+](=O)[O-])c2nsnc2c1 762976273 PYLJBCDHIJEUGZ-LJQANCHMSA-N 434.433 4.136 5 20 IIBD O=C(Nc1ccccc1)[C@H]1CCc2ccccc2N1C(=O)c1cc(F)c([N+](=O)[O-])cc1F 763444978 DISZUPOPQYHVQH-HXUWFJFHSA-N 437.402 4.473 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1ccc(SC)c(NC(C)=O)c1 763810107 GLYWJCHASSQTIM-UHFFFAOYSA-N 448.522 4.427 5 20 IIBD C[C@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@H]1NC(=O)OC(C)(C)C 769422996 LEHFVVFBEHSVEG-KBXCAEBGSA-N 432.546 4.453 5 20 IIBD C[C@@H](OC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1nc(Cc2ccccc2)no1 770158259 ZIHDJLBAVPTULP-LLVKDONJSA-N 432.230 4.249 5 20 IIBD CC(C)c1ccccc1NC(=O)COC(=O)c1sc(Br)cc1[N+](=O)[O-] 773603799 QWTFNSUGDVLAJI-UHFFFAOYSA-N 427.276 4.338 5 20 IIBD CC(C)(C)OC(=O)N1CCc2ncc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)cc2C1 774012130 JMZWNXQSBGVDEV-UHFFFAOYSA-N 440.500 4.199 5 20 IIBD CCN(CC)C(=O)COc1ccc(N[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1Cl 774280038 BJFAYEQBHQVUFB-MSOLQXFVSA-N 449.939 4.288 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 775537984 YIAFZROLFNDAPC-YOEHRIQHSA-N 437.562 4.471 5 20 IIBD O=[N+]([O-])c1ccc([C@H](O)CSc2nnc(N3CCCC3)n2-c2cccc(Cl)c2)cc1 776273426 BDOCUYNGRWKLGB-GOSISDBHSA-N 445.932 4.255 5 20 IIBD CCCN(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C1CCN(C(=O)c2ccccc2)CC1 777957241 UGXFSTSLAYOUSG-UHFFFAOYSA-N 447.539 4.433 5 20 IIBD CC1CCN([C@H](CNC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2cccs2)CC1 781566981 ICTBPPDANRUVGZ-LJQANCHMSA-N 446.529 4.087 5 20 IIBD O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1cccc([N+](=O)[O-])c1Br 782116708 DNQJDWPJGWQQLV-UHFFFAOYSA-N 448.254 4.462 5 20 IIBD CCc1nnc([C@H](C)OC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)o1 782463646 QYUANWQIYGMDEE-NSHDSACASA-N 444.831 4.364 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCc2cn(C)nc2-c2ccccc2)CC1 782477867 GRDJBFSWKDLYOO-UHFFFAOYSA-N 433.512 4.162 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1cccc(F)n1 783205820 OFPCJSSWCMBWEJ-GOSISDBHSA-N 429.791 4.319 5 20 IIBD CC(C)(C)OC(=O)NCCNC(=O)c1ccccc1NCc1ccc([N+](=O)[O-])cc1Cl 783245576 BZOFFAFDISWKCG-UHFFFAOYSA-N 448.907 4.115 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1 785992874 LAKORHAHQJFIKR-UHFFFAOYSA-N 440.500 4.382 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)OCc3nnc(-c4ccco4)o3)cc2[N+](=O)[O-])C1 787428024 RQNMWKGKUYQLMO-OKILXGFUSA-N 426.429 4.077 5 20 IIBD C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 791028418 UFDYSAYUDFXGFC-GFCCVEGCSA-N 435.839 4.106 5 20 IIBD CCOc1ncc(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cc1Cl 791173173 BEMJVBVSOQEBGY-UHFFFAOYSA-N 440.681 4.003 5 20 IIBD CC[C@H](OC1CCCCC1)C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791246717 YDVDITKAVRHGSW-SFHVURJKSA-N 425.323 4.370 5 20 IIBD C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N)OCCO3 791312392 UMONDOLFYWTXAK-ZDUSSCGKSA-N 441.459 4.116 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3cc4cccc(Cl)c4o3)CC2)ccc1[N+](=O)[O-] 794043336 MNKRRCULDKFPDS-UHFFFAOYSA-N 429.860 4.356 5 20 IIBD COc1ccc(CN(CCc2ccccn2)C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc1 794259658 IODPNCDMZGSKBP-UHFFFAOYSA-N 441.434 4.362 5 20 IIBD O=C(N[C@H]1C[C@H](c2ccccc2F)C1)c1cc([N+](=O)[O-])ccc1I 798022440 MAQYCFVJQOGKQX-XYPYZODXSA-N 440.212 4.015 5 20 IIBD COC(=O)c1cccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1OC(C)C 798733833 YXYGYVWOEYKFCM-UHFFFAOYSA-N 437.246 4.183 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2ccccc2)C1 800376208 PVKWOXBYRUBXIZ-VQTJNVASSA-N 425.485 4.036 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2ccccc2)C1 800510142 ZXHSLYYKBICACW-AZUAARDMSA-N 440.500 4.428 5 20 IIBD COc1ccc(Br)cc1[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N 801868518 XJHFIHQKEPFNQV-OAHLLOKOSA-N 438.253 4.065 5 20 IIBD CCC(=O)c1ccc(N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c([N+](=O)[O-])c1 804702826 HRDKTOIEXXSKBI-UHFFFAOYSA-N 434.246 4.421 5 20 IIBD Cc1c(C(=O)Nc2ccc(Cl)c(SC(=O)N(C)C)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 805439503 CMJQZAHHIRDJNY-UHFFFAOYSA-N 438.849 4.491 5 20 IIBD Cc1cc(-c2ccccc2)ccc1NC(=O)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 808967833 IVMHPMHBRCSDTA-UHFFFAOYSA-N 442.475 4.349 5 20 IIBD O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN(CCCN1CCOCC1)Cc1ccncc1 811506986 NGNZBFHDBNSSNF-UHFFFAOYSA-N 439.343 4.021 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 813424573 ZRGTZGPMWAXFGS-NSHDSACASA-N 432.304 4.279 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)c(C)c1[N+](=O)[O-] 814399635 WOGXUSLJVGTGNL-IBGZPJMESA-N 431.470 4.036 5 20 IIBD CN(C)c1ccc(C2(C(=O)N3CCc4c(Br)ccc([N+](=O)[O-])c4C3)CC2)cc1 816604011 VUKVQEHCDDBZTQ-UHFFFAOYSA-N 444.329 4.040 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC12CCC2 816852677 WOFFIYZNNPFBKV-HNNXBMFYSA-N 437.924 4.229 5 20 IIBD O=C(NC[C@H](c1ccccc1)C1CC1)c1cc([N+](=O)[O-])ccc1I 817089503 IRQBCTJRMHSLQD-MRXNPFEDSA-N 436.249 4.123 5 20 IIBD C[C@H](OC(=O)c1cc2ccsc2[nH]1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 914891920 RZZHBPZWKIKKMJ-JTQLQIEISA-N 442.478 4.445 5 20 IIBD COCCn1c(C)c(C)n(CN(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)c1=S 917450207 KTYNBPRGHGHJNU-UHFFFAOYSA-N 432.468 4.213 5 20 IIBD Cc1nc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)sc1Cc1ccccc1F 917735398 CSZVVQKLTQSCAR-UHFFFAOYSA-N 425.445 4.078 5 20 IIBD Cc1c(NC(=O)[C@H](C)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cccc1[N+](=O)[O-] 917936966 XTUHSTSLLMMRCZ-DZKIICNBSA-N 430.480 4.095 5 20 IIBD CCOC(=O)/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1nccn1C 920070621 XPYPZCGMMLFIRA-PTNGSMBKSA-N 446.257 4.455 5 20 IIBD Cc1ccc(C(C)C)c(OCC(=O)OCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 920149362 ZUESUIZRYVDAKY-UHFFFAOYSA-N 434.876 4.032 5 20 IIBD COC(=O)[C@@H](OC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccccc1 920548833 ULVJDXFCXZJGNM-BTYIYWSLSA-N 435.436 4.234 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1[nH]c2ccc(C)cc2c1Cl 1317846425 MOELIAAERYZFJM-LLVKDONJSA-N 431.832 4.231 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2OCCC[C@H]2C1 1319354357 GQRLQSIVHXSRJB-WMZHIEFXSA-N 446.507 4.018 5 20 IIBD C[C@@H](C(=O)Nc1ccc2nc(CN3CCCCC3)[nH]c2c1)c1ccc([N+](=O)[O-])cc1F 1320230119 LXGLBPQFDHWGQR-CQSZACIVSA-N 425.464 4.338 5 20 IIBD COCCN(C(=O)c1cc(C(C)(C)C)on1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1323151443 GPNLWKFJWZTLIQ-UHFFFAOYSA-N 430.486 4.297 5 20 IIBD O=c1oc2cc([N+](=O)[O-])ccc2n1CCCc1nnc(Cc2cccc3ccccc23)o1 1341518168 DMYBXWOLHCYNCC-UHFFFAOYSA-N 430.420 4.263 5 20 IIBD CN(C)C(=O)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1 1350868995 VPHVBOHCLJBGRJ-AWEZNQCLSA-N 447.944 4.340 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4F)cc3)CCC2)no1 1790622520 OFUPCLRDMWOAID-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD CC[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1800530197 AWSXDBSRLZQKGS-BGRQEXKUSA-N 431.508 4.202 5 20 IIBD CCCC(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)[C@H]1c1cccnc1 1811794176 IXDRUCXUXQJCQA-HRAATJIYSA-N 444.919 4.071 5 20 IIBD CCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2cc([N+](=O)[O-])ccc2F)[nH]n1 1821935262 RJTJJSIDRQQWAM-GOSISDBHSA-N 445.495 4.128 5 20 IIBD O=C(CC1CCC1)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])[nH]n1 1823432499 ARYJRIVQCREOMV-SGWGQVFISA-N 437.500 4.214 5 20 IIBD O=C([C@@H]1CC=CCC1)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830612720 JTGQRZZGBUQIEQ-XMSQKQJNSA-N 443.519 4.324 5 20 IIBD CC(C)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 1831381615 GCHCCTNFHPPEFR-QFIPXVFZSA-N 447.551 4.332 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1C1CCN(C(=O)C2(F)CCC2)CC1 1832904801 XADBLXZVUSBZTE-SQUSKLHYSA-N 443.519 4.120 5 20 IIBD CCOc1c(Cl)cc(C(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1OC 9616122 KIEXEHXWMINBGK-UHFFFAOYSA-N 443.239 4.104 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCc1cc(F)cc2c1OCOC2 16681316 IBZUNCMMMGKNCE-UHFFFAOYSA-N 444.337 4.165 5 20 IIBD COCc1cccc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 17165848 TZBCHEJIYWTDLT-ZDUSSCGKSA-N 441.465 4.049 5 20 IIBD C[C@@H](Sc1nnc(NCc2ccco2)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 17983029 MUVZJKCTCHLXKH-SECBINFHSA-N 439.906 4.424 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c1 22189396 BUHJCOJHHSKROE-INIZCTEOSA-N 447.469 4.038 5 20 IIBD CCC(C)(C)NC(=O)[C@H](C)OC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 22670027 PNCTXJYTDSIUKC-ZDUSSCGKSA-N 446.887 4.329 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N(C)C 23694252 FWOUDUVXNTYVKB-HSZRJFAPSA-N 448.523 4.248 5 20 IIBD COc1ccc([C@@H](NC(=O)COC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C2CC2)cc1 26342354 MJKUYBTWRRZTAW-QFIPXVFZSA-N 440.496 4.325 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1 29709911 HSPJVAFJRKAHHO-UHFFFAOYSA-N 441.875 4.251 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)c1 31601337 YIHJLXFRQDTABD-UHFFFAOYSA-N 438.440 4.226 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ccccc1Oc1ccccc1 78871614 NGVZTGXXFNPEBF-UHFFFAOYSA-N 425.828 4.409 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nccs3)cc2)cc1OC 105340294 VCYSSAUMCOSLAI-UHFFFAOYSA-N 429.454 4.004 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)cc1OC 105993167 SHGPJGVAKBXQBU-NSHDSACASA-N 428.363 4.392 5 20 IIBD COc1cc(C(=O)N2CCN(CC3CC3)CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 108383089 XKZBPKGQQBROSV-UHFFFAOYSA-N 445.903 4.217 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)c([N+](=O)[O-])c1 109331507 FDADCFRFMSYTQN-UHFFFAOYSA-N 449.872 4.032 5 20 IIBD O=C(NCCCc1nccs1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 116756643 DTLMMUXLSNIQAQ-UHFFFAOYSA-N 442.463 4.036 5 20 IIBD COc1ccc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1OCc1cn2ccccc2n1 195692540 CEMYHDGSYOMMSO-UHFFFAOYSA-N 432.436 4.391 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2CN2CCC(C)CC2)cc1SC 216808796 VHKYHHGSBKXRAW-UHFFFAOYSA-N 443.569 4.487 5 20 IIBD COc1ccc([C@H](NCc2ccc(C)c([N+](=O)[O-])c2)c2cccc(S(C)(=O)=O)c2)cc1 237359120 ZRGVHLUPNYLUKO-QHCPKHFHSA-N 440.521 4.195 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] 302182797 SHVIIJPXESAJCN-CYBMUJFWSA-N 425.363 4.316 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(-c4cncnc4)cn3)cc2[N+](=O)[O-])C1 410163722 ZNNFATSCAYSWHS-HZPDHXFCSA-N 432.484 4.181 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(-c2cncnc2)cn1 410165705 FYHPREPYQWBADJ-UHFFFAOYSA-N 435.387 4.196 5 20 IIBD CCCOc1cc(O)ccc1NC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C 430479603 WRSHDYIGFIKCPH-IBGZPJMESA-N 449.891 4.136 5 20 IIBD CCN([C@@H](c1ccc(Cl)cc1)c1cccnc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 431924049 IZEIWQCHBBATGA-FQEVSTJZSA-N 431.901 4.443 5 20 IIBD CCCc1c(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])cnn1-c1ccccc1C 432050588 ZXZBACIAYANCHK-UHFFFAOYSA-N 428.514 4.026 5 20 IIBD Cc1ccc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1C(=O)N(C)C 434185083 WYWYGEGEACOCJP-UHFFFAOYSA-N 438.406 4.065 5 20 IIBD COc1cc([C@@H](C)NC(=O)c2cccc(OC)c2[N+](=O)[O-])ccc1OCc1ccncc1 435552158 ZALPPCGKTICZIN-OAHLLOKOSA-N 437.452 4.077 5 20 IIBD C[C@H](NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1nc(C(C)(C)C)no1 437136644 ZPDWTSMUMYODDW-KGLIPLIRSA-N 438.488 4.334 5 20 IIBD CC(C)(O)C1CN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C1 444586304 MXJFSINGBRZYNS-UHFFFAOYSA-N 429.523 4.199 5 20 IIBD O=[N+]([O-])c1ccc2nc(CN[C@H](Cn3cnc4ccccc43)c3ccc(F)cc3)[nH]c2c1 444679905 NNINBPKORACYIW-OAQYLSRUSA-N 430.443 4.491 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)NCCSCCOc1cccc(Br)c1 446050294 FJZOZOVNNLVCFJ-UHFFFAOYSA-N 439.331 4.208 5 20 IIBD COc1ccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1OCC(F)(F)F 446946173 OEGLPGDQCUVIPZ-UHFFFAOYSA-N 425.363 4.135 5 20 IIBD Cc1sc(S(=O)(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)cc1[N+](=O)[O-] 447262836 GVNXAVKTXWYNHA-UHFFFAOYSA-N 427.410 4.231 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)c1cccc([N+](=O)[O-])c1C 447632685 NLZDAJKIBNZIRC-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD O=C(CSc1cccs1)Nc1ccc(C(=O)NCCc2ccccc2[N+](=O)[O-])cc1 460510199 XJIKQXZWDGCNIE-UHFFFAOYSA-N 441.534 4.360 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)c2ncccc12 463520692 SEJUIQCACWWTMJ-UHFFFAOYSA-N 440.412 4.270 5 20 IIBD COc1cc(C(=O)N2CC[C@@H](CSc3ccccc3)C2)c([N+](=O)[O-])cc1OC(F)F 464326839 CIYXATDFNYHDGH-CYBMUJFWSA-N 438.452 4.459 5 20 IIBD COc1ccc(C(=O)N2CCOc3c(Cl)cc(Br)cc32)cc1[N+](=O)[O-] 464660829 DCTUAJCNVKFMLR-UHFFFAOYSA-N 427.638 4.059 5 20 IIBD C[C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Oc1cccc(Br)c1 464694857 UZVZHVWNIHCSPY-AWEZNQCLSA-N 448.317 4.155 5 20 IIBD Cc1sc(S(=O)(=O)N[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)cc1[N+](=O)[O-] 467022448 INOIJABRQJKRGS-GFCCVEGCSA-N 446.375 4.148 5 20 IIBD CCc1ccc(C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)cc1[N+](=O)[O-] 471814032 ATCCXHQXUFINCZ-UHFFFAOYSA-N 425.466 4.210 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CN(C)c1nc2ccccc2cc1[N+](=O)[O-] 473514745 XQHWPBLXDMIDIO-UHFFFAOYSA-N 429.274 4.289 5 20 IIBD COc1cc(C(=O)Nc2cnn(-c3ccc(Cl)cc3Cl)c2)c([N+](=O)[O-])cc1OC 475771823 XHUFITXJCZDLTH-UHFFFAOYSA-N 437.239 4.357 5 20 IIBD COC(=O)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C[C@H]1C 476763068 KOLAXHHGSVYWGC-RHSMWYFYSA-N 445.903 4.132 5 20 IIBD Cc1c(CNC(=O)NC2CCN(Cc3coc(-c4ccccc4)n3)CC2)cccc1[N+](=O)[O-] 478906487 VZQDATHRACWVLL-UHFFFAOYSA-N 449.511 4.022 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(I)c2)cc1SC 482222866 RPLTVRMANQKEJV-UHFFFAOYSA-N 444.250 4.182 5 20 IIBD Cn1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c(-c2ccc([N+](=O)[O-])cc2)n1 482501617 BYAYTJQYJNJGDU-UHFFFAOYSA-N 447.476 4.306 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)Oc2ccccc2Br)c1 482806947 WEADUFKGUGEKFC-LLVKDONJSA-N 425.304 4.277 5 20 IIBD COC(=O)C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1ccc(C(F)(F)F)cc1 482910631 MGIMQXPKVGRXIG-INIZCTEOSA-N 435.358 4.129 5 20 IIBD COC(=O)c1cc(C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)cc([N+](=O)[O-])c1 483298516 PBKGOCYJSZKQHD-UHFFFAOYSA-N 433.420 4.194 5 20 IIBD CC(=O)c1ccc(NCc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c([N+](=O)[O-])c1 484902350 APRBJNWLAILBLR-UHFFFAOYSA-N 443.456 4.349 5 20 IIBD O=C1[C@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCN1c1cc(Cl)ccc1Cl 486989067 KWAOTWAYTNWPCS-MRXNPFEDSA-N 448.306 4.446 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 488282942 RPBNPMAOWWUOFJ-HUUCEWRRSA-N 443.525 4.209 5 20 IIBD COCCOc1ccc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1F 488366338 KWHHOFCDFLFZLP-UHFFFAOYSA-N 431.342 4.100 5 20 IIBD O=C(Nc1ccc(F)cc1)c1nnc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)s1 490816928 FLFZTQAJPZHPKX-UHFFFAOYSA-N 427.461 4.002 5 20 IIBD Cc1[nH]c2ccccc2c1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC1 497664919 UKNRLAZZDOZXAB-UHFFFAOYSA-N 439.537 4.489 5 20 IIBD COc1ccc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1OCc1ccncc1 497945568 ZNQZMMFICFJGQN-UHFFFAOYSA-N 432.436 4.171 5 20 IIBD COc1ccc(CSCC(=O)N[C@H](c2cccc(F)c2)c2ccccn2)cc1[N+](=O)[O-] 498880101 LTQOBHJEVIVQDS-JOCHJYFZSA-N 441.484 4.277 5 20 IIBD O=C(N[C@H](c1cccc(F)c1)c1ccccn1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 498893259 MQIBNKZCEYYUAG-HSZRJFAPSA-N 434.471 4.251 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccc(OCC2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 498987304 LORBONRABSFQJO-MRXNPFEDSA-N 425.485 4.370 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2Sc2nccn2C)cc1OC 499246801 CSOZTHUFIZOMQU-UHFFFAOYSA-N 428.470 4.139 5 20 IIBD Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 503961530 MHVNEKBIXQJVEE-KRWDZBQOSA-N 429.542 4.401 5 20 IIBD CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 504891055 YZACRVFVIISMAA-UHFFFAOYSA-N 443.262 4.211 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 504975540 TURCZCHDGWRCJR-UHFFFAOYSA-N 446.301 4.157 5 20 IIBD COC(=O)c1cc(C(=O)N[C@@H]2CCOc3c(-c4ccccc4)cccc32)cc([N+](=O)[O-])c1 505138689 HDHJZYRACHDUHW-OAQYLSRUSA-N 432.432 4.302 5 20 IIBD CC1CCN(c2ccc(C(=O)NCC(=O)Nc3cccc4ccccc34)cc2[N+](=O)[O-])CC1 506613223 JKVXEIZMKUHZJJ-UHFFFAOYSA-N 446.507 4.353 5 20 IIBD Cc1cccc(Oc2ccc(NC(=O)C(=O)N(C)CCc3ccccc3[N+](=O)[O-])cc2)c1 506708131 YXTXIYUKTSTSJJ-UHFFFAOYSA-N 433.464 4.335 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(Oc2cccc(F)c2)c(Br)c1 508330454 FRWDAGLYHUKPNJ-UHFFFAOYSA-N 449.236 4.432 5 20 IIBD COc1ccc(NC(C)=O)c(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1 509841566 ZRQGNGBDTIPTJV-GASCZTMLSA-N 440.500 4.296 5 20 IIBD CCCc1cc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)n(C)n1 510011095 JAJABSTUKCEGAR-UHFFFAOYSA-N 445.526 4.071 5 20 IIBD CC[C@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccc(Cl)s1 510758023 FSRNUNPLZSFCCC-NSHDSACASA-N 437.934 4.471 5 20 IIBD COc1cc(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)ccc1NC(C)=O 511011920 INFAEVULWYTQRV-SNVBAGLBSA-N 440.378 4.020 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(Cl)c1Oc1cccnc1 511205232 MBHIICKWCLWRSF-UHFFFAOYSA-N 435.845 4.245 5 20 IIBD CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1Nc1ccccc1)C(=O)C2 514490168 DVPBRFSWZKPCBK-OYHNWAKOSA-N 443.525 4.476 5 20 IIBD COc1ccc(CNC(=O)NCCc2ccc(-c3csc(C)n3)s2)cc1[N+](=O)[O-] 515777811 LEVIEPQBNPQEQY-UHFFFAOYSA-N 432.527 4.139 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@@H]1CCCN1CC1CCCCC1 517622604 JLJVTNYQLGVJCO-NRFANRHFSA-N 431.580 4.316 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)s1 518780391 RBWQYTSWNYYXMU-UHFFFAOYSA-N 449.554 4.237 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc3nc(-c4ccc(F)cc4)oc3c2)c([N+](=O)[O-])c1 521961960 CDYXBTCNWGUYTA-UHFFFAOYSA-N 443.412 4.352 5 20 IIBD COc1ccc([C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)N2CCCCC2)cc1 524555889 YTHPMUZYRBYRJL-OAQYLSRUSA-N 431.920 4.143 5 20 IIBD CCn1c(SCCOc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1ccccc1OC 525624520 AVXDHUBACBCKHK-UHFFFAOYSA-N 430.486 4.062 5 20 IIBD C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 532228645 DWVNHORWVCQTDN-DLBZAZTESA-N 447.495 4.310 5 20 IIBD CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 533989392 ZHZJGABZNPKDKW-HNNXBMFYSA-N 437.500 4.370 5 20 IIBD CC[C@H](NC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1)[C@H]1CCCO1 535142565 LJEFBUXRDBDOFU-PKOBYXMFSA-N 428.510 4.235 5 20 IIBD C[C@H](SCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1nc(N)nc(=Nc2ccccc2)[nH]1 535509258 YDGDIZJYDYXINU-ZDUSSCGKSA-N 449.496 4.177 5 20 IIBD CC(C)c1c(C(=O)NCCc2cccc([N+](=O)[O-])c2)cnn1-c1ccc(C(F)(F)F)cn1 536241321 XKMRCIKCNQFZMN-UHFFFAOYSA-N 447.417 4.290 5 20 IIBD CCN(CC)CCOc1cc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)ccc1OC 536481228 LBKSUTJBIQYANL-UHFFFAOYSA-N 426.473 4.058 5 20 IIBD CC(C)NC(=O)c1ccc(N2CCC3(CCN(Cc4ccccc4)C3)CC2)c([N+](=O)[O-])c1 536498342 STDDCFCHGVBNIF-UHFFFAOYSA-N 436.556 4.226 5 20 IIBD CCN(CCC1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1)CC1CC1 537756712 ZEDHGHPLHQGFSN-UHFFFAOYSA-N 425.577 4.329 5 20 IIBD COc1ccc(CC(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)cc1[N+](=O)[O-] 539891311 KYXURNTZFHBSJG-UHFFFAOYSA-N 444.316 4.315 5 20 IIBD COc1cccc(-c2noc([C@@H](C)NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])n2)c1 541261788 BOFKNFUQGSWGPD-LLVKDONJSA-N 448.888 4.276 5 20 IIBD COc1ccc(NC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)cc1[N+](=O)[O-] 541998734 FKEQYFPDVSGTEW-UHFFFAOYSA-N 439.428 4.304 5 20 IIBD C[C@H](C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1)c1ccc([N+](=O)[O-])cc1F 542568950 LPTJNEQNXZGLEH-ZDUSSCGKSA-N 426.404 4.391 5 20 IIBD CN(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 542759713 DWQYUMCNTIJPND-QUCCMNQESA-N 435.883 4.492 5 20 IIBD C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 544093881 NLVUALXKDFAUPK-QAPCUYQASA-N 433.961 4.367 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl 544247317 CHNKZKCFZQWLSM-UHFFFAOYSA-N 434.880 4.059 5 20 IIBD O=[N+]([O-])c1cc(I)cc(-c2nc([C@@H]3CCOc4ccccc43)no2)c1 544724155 WPLDGXLHTVUNGA-CQSZACIVSA-N 449.204 4.164 5 20 IIBD C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 545458286 ZBVIYYNWAZOUQG-QTXLCTLRSA-N 429.439 4.085 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(-c3cc(F)c(F)cc3I)n2)cc1 546261197 HQQRCWPBLPXWRY-UHFFFAOYSA-N 429.120 4.195 5 20 IIBD C[C@H](Nc1ccc(-c2nc(-c3ccc4c(c3)CC(=O)N4)no2)cc1[N+](=O)[O-])c1ccccn1 546283672 CBSZPAKMWQXIAQ-ZDUSSCGKSA-N 442.435 4.375 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(CS(=O)(=O)c3ccccc3)c2)c1 549306327 NQWVFGPNSDZMSQ-UHFFFAOYSA-N 440.477 4.220 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N(CC(F)F)c2ccccc2)cc1[N+](=O)[O-] 555490130 ZFQLJTZGFGJGAH-UHFFFAOYSA-N 435.246 4.126 5 20 IIBD CC(C)(C)[C@H](NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(F)cc1 556231309 NAVLCKOXBMLYFO-HXUWFJFHSA-N 427.476 4.129 5 20 IIBD O=[N+]([O-])c1ccc2nc(N3CCN(C4c5ccccc5-c5ccccc54)CC3)nc(O)c2c1 557641186 QNNDPRQEXQHYJW-UHFFFAOYSA-N 439.475 4.136 5 20 IIBD O=C(NCc1cc(Br)ccc1F)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 561096406 YZMDRYMYEAJKFX-UHFFFAOYSA-N 430.233 4.488 5 20 IIBD Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2c2ccc(Br)s2)cc1[N+](=O)[O-] 565618501 CWHCDRIBZHHPPA-LBPRGKRZSA-N 438.303 4.029 5 20 IIBD O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 570596599 HGDDOVUQHONBCW-UHFFFAOYSA-N 448.813 4.310 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CCCc2c(F)cccc21 574138334 CZFKPWIQTOJKFK-UHFFFAOYSA-N 440.212 4.240 5 20 IIBD COc1cc(C(C)=O)cc([N+](=O)[O-])c1OC[C@@H](O)Cn1c2ccccc2c2ccccc21 577127605 LOOATCFUTSJYLR-KRWDZBQOSA-N 434.448 4.354 5 20 IIBD COc1cc(C(=O)N2CCC3(CCCC3)CC2)c([N+](=O)[O-])cc1OCc1cscn1 579041657 SRTKNAGMEGZZLV-UHFFFAOYSA-N 431.514 4.435 5 20 IIBD CCN(Cc1ccc(OCc2cccs2)c(OC)c1)c1cccc(C(N)=O)c1[N+](=O)[O-] 579336785 XBUVPXSMOKHPGQ-UHFFFAOYSA-N 441.509 4.369 5 20 IIBD COc1ccc(C2(c3noc(Cc4ccc(OC)c([N+](=O)[O-])c4)n3)CCCC2)cc1OC 583434342 YAKJHPBEIPLEEH-UHFFFAOYSA-N 439.468 4.455 5 20 IIBD COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)c(OC)c1OC 589251363 MIYSWQDKZKAXBU-UHFFFAOYSA-N 436.420 4.104 5 20 IIBD Cc1ccc(NC(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1[N+](=O)[O-] 603643054 ZHTNEYPLFZDDOD-UHFFFAOYSA-N 437.283 4.200 5 20 IIBD COc1ccc(-c2csc(NC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)n2)cc1F 603732313 JYQDZKMAFMJDDM-UHFFFAOYSA-N 439.428 4.304 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc(-c4cc(O)n[nH]4)cc3)cc2[N+](=O)[O-])C1 603879284 PDOFAIXYOXBFNN-GJZGRUSLSA-N 435.484 4.425 5 20 IIBD COc1cc([C@H](C)Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)cc(OC)c1OC 603943941 QKARSECQUUREKY-AWEZNQCLSA-N 429.473 4.030 5 20 IIBD COCCOc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)cc1OC 603943959 SAEKEOMBOHYABD-INIZCTEOSA-N 443.500 4.038 5 20 IIBD CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)Cn2cc(Br)c([N+](=O)[O-])n2)cc1 603947342 GRJBNZXUZTUOKS-INIZCTEOSA-N 435.322 4.215 5 20 IIBD CN(C(=O)Cc1ccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])cc1)c1ccccc1 603994978 LBABCWCBXDBBQT-UHFFFAOYSA-N 432.480 4.241 5 20 IIBD C[C@H](c1c(F)cccc1F)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br 604435411 OQVUEMUAEFBZPQ-SNVBAGLBSA-N 428.233 4.267 5 20 IIBD O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCN(C(=O)C2CCCCC2)CC1 604465688 XDLTXPJDXVCYGL-UHFFFAOYSA-N 436.512 4.203 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCc3cccc(OCC(F)F)c3)cc2)c(C)c1[N+](=O)[O-] 608808964 WUUUAFXQENGEBN-UHFFFAOYSA-N 444.438 4.030 5 20 IIBD Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 608819243 QVXVTVMDSKWJJM-KRWDZBQOSA-N 442.947 4.413 5 20 IIBD COc1cc([C@H](C)NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)ccc1OCCC(C)C 608938998 RDDBGEYLBPVWAR-HNNXBMFYSA-N 444.484 4.291 5 20 IIBD Cc1cn(-c2ccccc2)nc1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 609305515 BZDPYLOJZNKMFE-UHFFFAOYSA-N 430.468 4.203 5 20 IIBD COc1cc(C(=O)N[C@@H]2CCN(CC3CC3)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 609382304 AIJCXBNUTMMSSA-QGZVFWFLSA-N 445.903 4.263 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1nc(-c2cccc(Cl)c2)no1 609663965 PTANXZIWCHHZLV-JTQLQIEISA-N 437.239 4.035 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)N1CCCCC1 610061324 AKBARPRYFSUMFE-OAQYLSRUSA-N 425.529 4.224 5 20 IIBD COc1cc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc([N+](=O)[O-])c1OC 610170552 QKPAGGRCXPQHPH-UHFFFAOYSA-N 427.438 4.178 5 20 IIBD COc1cc(C(=O)N(C)c2ccc(C)nn2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 610252742 PDZMDBVEEFWAMQ-UHFFFAOYSA-N 428.832 4.424 5 20 IIBD CCOc1cc(Br)c(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1OCC 613905554 IVUMBZZIBQZRDZ-UHFFFAOYSA-N 425.235 4.113 5 20 IIBD CC(C)[C@H](CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccnn1C 615954322 LKGNHCUKXPQGGE-AEFFLSMTSA-N 436.516 4.066 5 20 IIBD COc1ccccc1-c1c[nH]cc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 726054816 XJAAWNSIBMLDRE-UHFFFAOYSA-N 429.816 4.047 5 20 IIBD Cc1nn(CCC(=O)OCc2cc(Cl)ccc2OCc2cccnc2)c(C)c1[N+](=O)[O-] 726646735 CXCHEKPVVBCUNR-UHFFFAOYSA-N 444.875 4.169 5 20 IIBD Cc1cc(C)c2c(c1)N(S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])CCC2 727361479 NSHHYWPAGPKSGU-UHFFFAOYSA-N 425.304 4.116 5 20 IIBD COc1cc(C(=O)Oc2ccc(C(C)=O)cc2C)c([N+](=O)[O-])cc1OCc1cscn1 728241824 LHQCXSQDWPLXEU-UHFFFAOYSA-N 442.449 4.369 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 729486917 LXINNFFHWHNLEO-LLVKDONJSA-N 439.465 4.344 5 20 IIBD COc1ccc(OS(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)c([N+](=O)[O-])c1 730572605 KKXGOGMXYFCXDQ-UHFFFAOYSA-N 426.859 4.148 5 20 IIBD Cc1cc2oc(=O)cc(COC(=O)COc3ccc(C=O)cc3[N+](=O)[O-])c2cc1C(C)C 731734992 IQLGJGKDQUOKNF-UHFFFAOYSA-N 439.420 4.068 5 20 IIBD O=C(OCc1ccc(Br)cn1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 732679886 DMLDISMHYADETI-UHFFFAOYSA-N 435.152 4.050 5 20 IIBD C[C@@H](OC(=O)C1(NC(=O)OC(C)(C)C)Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 736002175 XWTJOWBGIGYLIH-OAHLLOKOSA-N 426.469 4.261 5 20 IIBD CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 741514551 BGHBPCTUFNOAOY-UHFFFAOYSA-N 444.919 4.195 5 20 IIBD CCc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 742410343 VNXYGKVBYXWQPW-KRWDZBQOSA-N 435.480 4.447 5 20 IIBD O=C(NCCc1ccc(Br)cc1F)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 742650626 SSWJTQHNWQKNGX-UHFFFAOYSA-N 435.171 4.488 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc3c(C(C)C)nn(C)c3s2)cccc1[N+](=O)[O-] 745538620 FWIPKFKXABDCAV-GFCCVEGCSA-N 430.486 4.159 5 20 IIBD C[C@@H](Sc1ncccc1C(=O)OCc1cc(Cl)ccc1[N+](=O)[O-])C(=O)N1CCCC1 746073662 YPPJEERYNKGLKJ-CYBMUJFWSA-N 449.916 4.103 5 20 IIBD C[C@H]1COCCN1CCNC(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34 746220629 LEIKPDLZWFDFFO-SFHVURJKSA-N 428.532 4.384 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 746898920 OGASMLUZDVWWOO-RISCZKNCSA-N 431.411 4.131 5 20 IIBD CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2cccc(-c3ccccn3)c2)NC(=S)N1 749113489 OYMSJPNFKWKNNT-OAQYLSRUSA-N 445.504 4.088 5 20 IIBD C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1nc(C(C)(C)C)no1 749437991 YHFMJDSJWQTHIK-ZETCQYMHSA-N 431.674 4.182 5 20 IIBD CCOc1cc(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)ccc1OC 750880922 ZBDSMAUGEGINMM-UHFFFAOYSA-N 443.681 4.348 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])OCc1nc(CCc2ccccc2)no1 751633188 DQGOEDBLWROGFB-UHFFFAOYSA-N 433.873 4.252 5 20 IIBD O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 751663837 XJRXUBCSQCHTPP-UHFFFAOYSA-N 434.286 4.162 5 20 IIBD COC(=O)c1c(C2CC2)csc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 753273013 PHEAYMWWKFDXNQ-UHFFFAOYSA-N 425.260 4.335 5 20 IIBD CCn1c([C@H]2CCCN2CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)nc2ccccc21 753917444 QZMKDPDIKZTHNJ-HXUWFJFHSA-N 425.464 4.269 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC(c2c[nH]c3ncccc23)CC1 754635106 HYJVGDZQCURYRW-UHFFFAOYSA-N 447.264 4.393 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 755285112 IPDMTRCQBDKKST-UHFFFAOYSA-N 437.367 4.088 5 20 IIBD Cc1nc(CC(C)C)c(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 756552318 INQSKHLRCCNMNI-JTQLQIEISA-N 425.894 4.396 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 758484903 XEVZJFQNEALSTN-INIZCTEOSA-N 438.259 4.153 5 20 IIBD Cc1cc(C2CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3Cl)CC2)n[nH]1 760426516 JBQJPZXGQZTMMG-UHFFFAOYSA-N 427.686 4.062 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1CNCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 761990276 VEHISAAJNULASJ-UHFFFAOYSA-N 449.891 4.478 5 20 IIBD O=C1O[C@H](c2ccccc2)Cc2cc(-c3nc(Cc4ccc([N+](=O)[O-])cn4)no3)ccc21 762325761 PVUJYNGXAFURPC-FQEVSTJZSA-N 428.404 4.085 5 20 IIBD COc1ccc([C@H](C)OC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1Cl 764616590 GOHRXUCJPQJJTE-IFXJQAMLSA-N 446.887 4.474 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 767140717 WKYPKJZKLGUVOF-MRXNPFEDSA-N 449.429 4.080 5 20 IIBD O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)c1cc(Br)cc([N+](=O)[O-])c1 771008918 OIWPYCCOTKIMGZ-CQSZACIVSA-N 434.073 4.128 5 20 IIBD CN(C(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 775496720 UYYNIRFVAYVJNA-SFHVURJKSA-N 444.419 4.153 5 20 IIBD C[C@@H](Nc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1)c1cccc([N+](=O)[O-])c1 775555889 DYNXRNOKSRTIGT-MRXNPFEDSA-N 431.448 4.443 5 20 IIBD C[C@@H](OC(=O)c1csc(-c2ccc(F)c(F)c2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 780134275 FPEHWRGLNNDILX-SNVBAGLBSA-N 433.392 4.181 5 20 IIBD Cc1ccc(C)c(OC2CCN(C(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)c1 781605963 HPBGSOLAPCMJGK-UHFFFAOYSA-N 427.457 4.122 5 20 IIBD Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cccc([N+](=O)[O-])c1Br 781676727 XGTPAGQIACLEHG-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD COC[C@@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1cccc(C(F)(F)F)c1 782530327 XTKCKRRBLDNXDY-QGZVFWFLSA-N 429.370 4.059 5 20 IIBD Cc1cc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)ccc1-n1nnnc1C(C)C 784347264 CGENKCGZDLTWIZ-UHFFFAOYSA-N 445.277 4.017 5 20 IIBD Cc1cc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1C(=O)OC(C)(C)C 785160109 ULCBWVNSJJBZPF-UHFFFAOYSA-N 433.848 4.089 5 20 IIBD COc1cc(N2CCC(OC(=O)C3(Cc4ccccc4F)CC3)CC2)ccc1[N+](=O)[O-] 785887316 SWXDKKJMHDAHFV-UHFFFAOYSA-N 428.460 4.277 5 20 IIBD COC(=O)[C@@H]1CCC[C@@H](OC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 785947610 XYHYWFHJJSMXFH-BFYDXBDKSA-N 427.457 4.052 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 785971784 ZSYZRLWEEFXLIH-UHFFFAOYSA-N 445.519 4.492 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ccc(O[C@H]3CCOC3)cc2)cc1)c1cccc([N+](=O)[O-])c1 789403529 MPXIQWQFGZJRDK-QFIPXVFZSA-N 448.431 4.234 5 20 IIBD Cc1cnc(COC(=O)[C@H](C)Oc2ccc(F)cc2Br)c(C)c1[N+](=O)[O-] 789446346 OMXGYDXGYDBNOE-NSHDSACASA-N 427.226 4.019 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Oc2cc(Cl)c(C=O)cc2Cl)c(C)c1[N+](=O)[O-] 790867124 NXERFHPYOKUYPT-UHFFFAOYSA-N 449.224 4.007 5 20 IIBD COc1ccccc1[C@H](C)CC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791173683 DSAUKQQZNPSTKJ-CYBMUJFWSA-N 433.302 4.444 5 20 IIBD CN(C(=O)c1ccccc1C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCCCC1 791519713 NEZRCKGLVVVUEY-UHFFFAOYSA-N 441.440 4.265 5 20 IIBD COc1cc(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc([N+](=O)[O-])c1C 791691380 GLQIHTKEVNTBCD-UHFFFAOYSA-N 446.765 4.380 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc([N+](=O)[O-])c1C 791692428 DPJVMHBFTZYKSM-NSHDSACASA-N 426.347 4.115 5 20 IIBD C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 793600623 UQPUEUHTGCTPAZ-LIRRHRJNSA-N 447.417 4.292 5 20 IIBD C[C@H]1C[C@H](c2ccccc2)CN1CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O 795429936 VVHNFWDNNUQLOA-ZFWWWQNUSA-N 430.302 4.149 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)OCc1csc(-c2cccc(OC)c2OC)n1 795712370 WUNSQXQWDDYVTK-UHFFFAOYSA-N 444.465 4.491 5 20 IIBD C[C@H](OC(=O)[C@H](C)[C@@H]1OCCc2sccc21)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 796488553 GJLHRLCMKFTZIA-PEBVRCNWSA-N 429.454 4.261 5 20 IIBD C[C@@H](OC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])c1nc(C2CC2)cs1 797255965 WEKSYWSFMHOVBE-SNVBAGLBSA-N 440.319 4.432 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1 798541994 CCKQOBFMBBCVGM-QGZVFWFLSA-N 429.473 4.241 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)c2ccc(S[C@@H]3CCCCNC3=O)cc2)c1 809046823 PWCPAYVNRSTTPK-VBKZILBWSA-N 444.509 4.282 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H]1C[C@H](C)S(=O)(=O)c2sccc21 809096544 MDSIZYKSYQKETK-IINYFYTJSA-N 427.525 4.232 5 20 IIBD CN1CCCN(S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)c2cc(F)ccc21 809394306 ZGFPFHRBKBDMSZ-UHFFFAOYSA-N 434.276 4.076 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 811533751 URYGDYALERZMJT-MRXNPFEDSA-N 430.766 4.361 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1CNc1cc(N2CCOCC2)ccc1Br 864013088 MXVCDDDWLRXHQT-UHFFFAOYSA-N 426.698 4.459 5 20 IIBD COc1cc(COC(=O)c2cnn(Cc3ccccc3)c2C)c([N+](=O)[O-])cc1OC(F)F 915536243 ZKYYUCACVSEVHE-UHFFFAOYSA-N 447.394 4.115 5 20 IIBD Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Oc3cc([N+](=O)[O-])ccc3C)cc2)cc1 916402100 NRZGBJLDTBXVND-UHFFFAOYSA-N 425.462 4.405 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1OC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O 916402832 PLMXGMOIHBKIAR-UHFFFAOYSA-N 427.463 4.009 5 20 IIBD CC1=C(C(=O)Nc2ccc(C)cc2Cl)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1C 917376171 ICWZALZNMQRGGK-SFHVURJKSA-N 430.917 4.330 5 20 IIBD O=C(OCCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 918790060 XQSBIDVYZSPTDE-QGZVFWFLSA-N 446.887 4.113 5 20 IIBD CCOc1ccccc1CNc1cc([N+](=O)[O-])c(OC)c(Br)c1[N+](=O)[O-] 919723688 STQSJMRAPOLYGO-UHFFFAOYSA-N 426.223 4.285 5 20 IIBD C[C@@H](OC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1ccccc1[N+](=O)[O-] 920267959 LZKMZRDSPDUUDT-CQSZACIVSA-N 444.440 4.453 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc1NC(=O)c1ccncc1 921286769 QMYKFMKGSRUWBW-UHFFFAOYSA-N 435.396 4.019 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)C2)CC1 1116705378 GIRJCZBZHOGQTH-UHFFFAOYSA-N 444.532 4.097 5 20 IIBD CC(=O)NCc1ccc(-c2csc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)n2)cc1 1251960176 OCWIUMAPTKLRAB-UHFFFAOYSA-N 430.873 4.260 5 20 IIBD COc1ccc([C@@H](NC(=O)c2csc([N+](=O)[O-])c2)c2ccc(OC)cc2OC)cc1 1318382478 JJHWYTZYWDMLTE-HXUWFJFHSA-N 428.466 4.202 5 20 IIBD COc1ccc([C@@H]2[C@@H](c3nc(-c4cc(C)c([N+](=O)[O-])cc4C)no3)CCC(=O)N2C)cc1 1320498367 UJAVZZSMKSISRX-LAUBAEHRSA-N 436.468 4.347 5 20 IIBD CCCCCn1nc(-c2nnc(CCc3cccc([N+](=O)[O-])c3)o2)c2ccccc2c1=O 1322297583 UBDBTDPJOZOFIX-UHFFFAOYSA-N 433.468 4.330 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 1322778060 DIWOBKABHBWSEM-XCLFUZPHSA-N 442.903 4.023 5 20 IIBD O=[N+]([O-])c1ccccc1OCc1nnc(-c2nc(-c3ccccc3)n(-c3ccccc3)n2)o1 1328168634 UPHHWZKFEWLPJM-UHFFFAOYSA-N 440.419 4.472 5 20 IIBD C/C=C(/C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc([N+](=O)[O-])cc3F)CCC2)cc1 1791226748 NGDHUYMTLWNGBM-CQPUUCJISA-N 425.460 4.377 5 20 IIBD Cc1cc(C)c(C(=O)Nc2ccc(C3(NC(=O)c4nc[nH]c4[N+](=O)[O-])CCC3)cc2)c(C)c1 1792096208 OZXHBDZJTLBCDR-UHFFFAOYSA-N 447.495 4.305 5 20 IIBD CCCCC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C2 1801713073 NGKFMWXHCAERAO-AYWYSENESA-N 429.561 4.382 5 20 IIBD CC(C)=CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2)n[nH]1 1814376010 IXIJBGFDHQMRKP-FQEVSTJZSA-N 439.516 4.299 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(C)CCC2)CC1 1830730126 QGFYAANTQJESDP-HXUWFJFHSA-N 445.535 4.466 5 20 IIBD CC/C=C(\C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 1831292904 KFOXXGXXLVFLCF-PIMOAMBUSA-N 445.535 4.252 5 20 IIBD CNc1ccc(C(=O)OCc2csc(-c3cccc(OC)c3OC)n2)cc1[N+](=O)[O-] 9924659 YFHIWKLVYBCTDN-UHFFFAOYSA-N 429.454 4.134 5 20 IIBD COc1cc(CCNC(=O)CSc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])cc1OC 10365103 PPAJRMSIPBXXOF-UHFFFAOYSA-N 432.542 4.361 5 20 IIBD Cc1cccc(N2CCN(C(=O)Cn3c4ccccc4c(=O)c4ccccc43)CC2)c1C 11248207 DQAYPVPWKGNAJK-UHFFFAOYSA-N 425.532 4.120 5 20 IIBD Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)[nH]n2)cc1 11494131 HREFLIXJRLWQNV-LBPRGKRZSA-N 428.832 4.131 5 20 IIBD CCOC(=O)c1sc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)nc1C 14865811 HPYXUCMGLDFNLS-UHFFFAOYSA-N 440.481 4.401 5 20 IIBD O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 14910082 JKFJVQBWVSHVBN-UHFFFAOYSA-N 449.216 4.278 5 20 IIBD CC1CCN(c2ccc(C(=O)O[C@H](C(=O)NC3CC3)c3ccccc3)cc2[N+](=O)[O-])CC1 17533389 JUNMXYCSYREXKL-QFIPXVFZSA-N 437.496 4.008 5 20 IIBD O=C(COC(=O)CSc1ccccc1[N+](=O)[O-])Nc1ccc(SC(F)F)cc1 24846038 AIDSNKDYHPEWTF-UHFFFAOYSA-N 428.438 4.184 5 20 IIBD CC(=O)Nc1ccc(CNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)cc1 25327663 RXPONWCETRIBDM-UHFFFAOYSA-N 442.522 4.399 5 20 IIBD Cc1csc(Sc2ccc(C(=O)OCC(=O)NC3CCC(C)CC3)cc2[N+](=O)[O-])n1 28870807 SDMARGLWWFZNBP-UHFFFAOYSA-N 449.554 4.363 5 20 IIBD C[C@@H](CCc1ccc(O)cc1)NC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 29722842 WFUUMWZLRCZNOX-ZDUSSCGKSA-N 440.422 4.052 5 20 IIBD Cc1ccc(S(=O)(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1[N+](=O)[O-] 32442229 BAPMUGZYMIFPJF-INIZCTEOSA-N 439.493 4.195 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cc1 32800022 MNBVXFXQLIRXGY-ZDUSSCGKSA-N 449.419 4.367 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3oc(C(C)C)nc3c2)cc1OC 33217161 QIZDODCJMALREX-UHFFFAOYSA-N 429.429 4.146 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(Br)ccc1I 36264408 HUIYHDZRIUCSEA-UHFFFAOYSA-N 447.026 4.214 5 20 IIBD O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 36676827 WKSYAEZWHPIEIT-UHFFFAOYSA-N 440.872 4.108 5 20 IIBD Cc1cc(NS(=O)(=O)c2cccc(Cl)c2Cl)n(-c2ccc([N+](=O)[O-])cc2)n1 57722099 KMTQKKKBBFFONT-UHFFFAOYSA-N 427.269 4.197 5 20 IIBD Cc1ccc(-c2ccsc2C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1 58231674 VIHMGEASXMXNDS-UHFFFAOYSA-N 441.534 4.291 5 20 IIBD CNC(=O)c1ccc(Sc2nnc(Cc3ccccc3)n2-c2ccccc2)c([N+](=O)[O-])c1 64905534 PGYVEBNLGKNANZ-UHFFFAOYSA-N 445.504 4.277 5 20 IIBD O=C(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)NCCC(c1ccccc1)c1ccccc1 72066318 SCRLNQHSUYZDJJ-UHFFFAOYSA-N 441.491 4.192 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NC1CCC(O)(c2cccnc2)CC1 302277770 TZUAXRZLIAEKKK-UHFFFAOYSA-N 426.351 4.159 5 20 IIBD O=C(c1ccc(N2CCC(c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1)N1CCOCC1 302472148 WROJBDHKPRJDQB-UHFFFAOYSA-N 429.904 4.105 5 20 IIBD O=C(Nc1ncc(Cc2ccc(F)c(F)c2)s1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 302966098 RETQGQGBYCYILV-UHFFFAOYSA-N 441.419 4.358 5 20 IIBD O=C(N[C@H](c1ccc(Cl)cc1)c1ccsc1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 303437012 YAXHRZSLNRTAAZ-LJQANCHMSA-N 439.884 4.410 5 20 IIBD CC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 303831578 ZVRRWNIUNWMQGR-WBVHZDCISA-N 447.333 4.034 5 20 IIBD O=C(Nc1ncc(C2CCCCC2)s1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 426179762 JNDULPNWRRRTBW-UHFFFAOYSA-N 428.514 4.229 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc2nc(-c3ccccc3)[nH]c2c1 427798019 NHZXLHMNYWZJPK-MRXNPFEDSA-N 433.472 4.009 5 20 IIBD CCOc1cc2c(cc1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])O[C@@H](C)C2 429809526 NIIZIMZEARQFFQ-NSHDSACASA-N 435.274 4.009 5 20 IIBD CCN(CC)CCOc1ccccc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 429926031 POVLNYHERWXFQG-UHFFFAOYSA-N 436.306 4.330 5 20 IIBD CCOC(=O)C1CCN(C(=O)c2ccc(NC/C=C/c3ccccc3[N+](=O)[O-])cc2)CC1 437258845 PDWSRWJCRDSYEG-FNORWQNLSA-N 437.496 4.135 5 20 IIBD C[C@H]1CN(Cc2ccccc2NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@H](C)O1 437385055 MIOMOHHZNZOBTG-ROUUACIJSA-N 438.528 4.401 5 20 IIBD CCOc1cc2c(cc1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)O[C@@H](C)C2 437710776 WBQWCSJZQBIHRL-HNNXBMFYSA-N 425.485 4.191 5 20 IIBD CCC(CC)(CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1 442707719 XVLIDUFCDHHKCZ-UHFFFAOYSA-N 435.427 4.009 5 20 IIBD CCOC(=O)[C@]1(C(C)C)CCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 446440304 FDEJHTATHWJUSF-XMMPIXPASA-N 442.462 4.011 5 20 IIBD O=C(Nc1cccc(COc2ccc3c(c2)OCO3)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 446829860 MAYOUVZMUWUQNV-UHFFFAOYSA-N 447.447 4.493 5 20 IIBD C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1cccc(N2CCCC2)c1 447019514 YXIJQYAXJQXGOF-CYBMUJFWSA-N 443.447 4.253 5 20 IIBD CC(=O)Nc1cccc(OCCNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])c1 447669431 JSXZKQNINIFTBV-UHFFFAOYSA-N 434.321 4.093 5 20 IIBD CCN(CC1CCN(c2ccccn2)CC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC 460235210 HQIGXUKQRKZJKJ-UHFFFAOYSA-N 435.532 4.011 5 20 IIBD CC(=O)Nc1ccc(S[C@H](C)C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 460346897 IGXQLHQGDXEGHS-ZUOKHONESA-N 431.539 4.308 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1C[C@@H](CO)[C@H](c2ccc(Cl)cc2)C1 461257119 LJQIXYQPIIOFPN-YJBOKZPZSA-N 443.912 4.220 5 20 IIBD Cc1cc(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)ccc1NC(=O)c1cccs1 461413844 PPUOMQJFMPTGCW-UHFFFAOYSA-N 437.477 4.252 5 20 IIBD CCN(Cc1c(F)cccc1F)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 462152639 USBPLUZTWNVGDP-UHFFFAOYSA-N 425.240 4.391 5 20 IIBD CN(Cc1ccccc1N1CCCC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 462452462 PAEUYCBPXXMBBU-UHFFFAOYSA-N 444.340 4.323 5 20 IIBD CCCC(=O)Nc1ccc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 462525879 CRMYKGMNTUJNKZ-UHFFFAOYSA-N 446.312 4.119 5 20 IIBD O=[N+]([O-])c1ccc(N2CCc3c(ncn3-c3ccccc3)C2)nc1OCc1ccccc1 462697830 XFQHLUOAOVZWEQ-UHFFFAOYSA-N 427.464 4.317 5 20 IIBD COCCOc1ccc([C@@H](C)NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC 463134556 ZRVGXPKIBITNOV-GFCCVEGCSA-N 442.390 4.138 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(CCO)Cc1cc(Br)ccc1F 463964312 MVGIBRHKUCMCMX-UHFFFAOYSA-N 440.269 4.140 5 20 IIBD CN(C(=O)c1ccn(-c2ccc(F)cc2F)n1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 464155842 FBBSJBPJBQFQRK-UHFFFAOYSA-N 441.419 4.459 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CC[C@H](c3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] 466895074 XNBFZIOZWOUTHY-QMHWCDLVSA-N 435.524 4.303 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCOc2ccc(Br)cc21 467218992 RLWOLKKQVSWXHX-OAHLLOKOSA-N 440.681 4.334 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCCCN1CCC(Cc2ccccc2)CC1 468716901 SRGSDYDTXCQMKI-UHFFFAOYSA-N 445.585 4.145 5 20 IIBD COc1ccccc1CN(Cc1cccs1)S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 468824951 DJJRHNJAYLDBGD-UHFFFAOYSA-N 448.522 4.065 5 20 IIBD COC(=O)[C@@]1(C)CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)C1 470648740 GYWOBSSYHGHWFA-NRFANRHFSA-N 448.859 4.074 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@H](OC1CCOCC1)c1ccccc1 471060494 XMXDBPISGCOUGT-AOMKIAJQSA-N 428.485 4.049 5 20 IIBD O=C(NCC1(CCOCc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1Br 471565664 YGXLOMLFQOMQLV-UHFFFAOYSA-N 433.302 4.474 5 20 IIBD O=C(Nc1cc(F)cc(NCC(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1SCCO 473250612 SSMMONGYMQQXBK-UHFFFAOYSA-N 433.383 4.045 5 20 IIBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1Oc1cc(F)cc(F)c1 474264843 FRUBRPGQWHNNDA-UHFFFAOYSA-N 427.363 4.034 5 20 IIBD COC(=O)c1nc([C@H]2CCCN2Cc2cc([N+](=O)[O-])ccc2OC(F)F)sc1C 475330915 GACYALKXZWZMNW-CYBMUJFWSA-N 427.429 4.085 5 20 IIBD COC(=O)COc1ccc(CN2CCCC[C@@H]2c2nc3ccccc3o2)cc1[N+](=O)[O-] 475722741 SYJCEYSQCMMBMK-QGZVFWFLSA-N 425.441 4.015 5 20 IIBD O=C(C[C@H]1COCCN1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1ccco1 476776099 HXPHGSKOJTUZPJ-SFHVURJKSA-N 435.436 4.045 5 20 IIBD Cc1ccc(CNC(=O)C2CCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC2)cc1 477046109 FPSUNDLQCOCGNE-UHFFFAOYSA-N 448.523 4.129 5 20 IIBD C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(Br)cn1 477777092 TZMYNUAGCPYGRN-AWEZNQCLSA-N 436.309 4.190 5 20 IIBD CCOc1cc(OCC(=O)c2cc(OC)c(OC)cc2Br)ccc1[N+](=O)[O-] 478718868 OEWAQBLTWHYPDP-UHFFFAOYSA-N 440.246 4.035 5 20 IIBD O=C(CCc1nnc(-c2cc3ccccc3o2)o1)NCCc1ccc(Cl)cc1[N+](=O)[O-] 479403622 BYFZVYJCVMRHCD-UHFFFAOYSA-N 440.843 4.336 5 20 IIBD CN(Cc1ccc(Br)cc1Cl)C(=O)NCCc1cccc([N+](=O)[O-])c1 479714157 MEAWMCMODWXSPH-UHFFFAOYSA-N 426.698 4.395 5 20 IIBD O=C(COc1ccc(Cc2ccccc2)cc1[N+](=O)[O-])NC[C@H]1CCN(c2ccccc2)C1 481967227 QHDXRBSKPHYDIT-JOCHJYFZSA-N 445.519 4.207 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCOc2cc(Br)c(Cl)cc21 482859325 NAPQTKXMFZGQBM-UHFFFAOYSA-N 440.681 4.157 5 20 IIBD CCOC(=O)c1csc([C@@H]2CCCN2[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1 484944488 YMCOWGNUPZURFU-LRDDRELGSA-N 443.485 4.176 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(CSCCC(=O)O)c2)cc1SC 485809240 GOSRIUHRYPSOQC-UHFFFAOYSA-N 436.511 4.286 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1cscc1C 486017758 KVYNTYJXIZWKGC-UHFFFAOYSA-N 433.511 4.386 5 20 IIBD COc1ccc(OCCSCc2nc(-c3cc(F)c(F)c(F)c3)no2)c([N+](=O)[O-])c1 486781702 WVDHTZLYPWXKBW-UHFFFAOYSA-N 441.387 4.383 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)cc1[N+](=O)[O-] 488079026 JZCYAUAXRGVBQK-DOMZBBRYSA-N 436.295 4.440 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(-c2ccc(C)cc2C)o1 488781977 GZKIICALNDBUEM-ZDUSSCGKSA-N 428.470 4.390 5 20 IIBD COCCN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@@H]1CCO[C@H]1C 488847354 AYEYMUUOOJHOLL-KBXCAEBGSA-N 434.876 4.307 5 20 IIBD COc1ccc(CNC(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)cc1[N+](=O)[O-] 489168245 LVRUWLIBYJXBSM-UHFFFAOYSA-N 430.367 4.391 5 20 IIBD CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 494903862 OXCZFSPHFSBTHH-IBGZPJMESA-N 435.311 4.180 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CN(C)c1ccc([N+](=O)[O-])c2ncccc12 499660503 YVPLYLFWLAMWEU-UHFFFAOYSA-N 429.274 4.289 5 20 IIBD O=[N+]([O-])c1cncc(Br)c1N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 500270809 HCOJMPWIQRVLGA-HXUWFJFHSA-N 431.334 4.245 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccc(Cl)cc1)c1cccs1 500797809 AKPPSCAHOJLGRR-FQEVSTJZSA-N 443.912 4.335 5 20 IIBD C[C@@H](NC(=O)Nc1cc(F)c(I)c(F)c1)c1cccc([N+](=O)[O-])c1 502636676 SMMZWYVOLHMFKZ-MRVPVSSYSA-N 447.179 4.360 5 20 IIBD Cc1nc(-c2ccc([C@@H](C)NS(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)cc2)cs1 503459075 QHPAXZSPJXUSHJ-CQSZACIVSA-N 431.539 4.250 5 20 IIBD C[C@H](c1ccccc1Br)N(C)C(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 503634592 RIWTXFWGVYMOMI-LLVKDONJSA-N 430.258 4.444 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H]2CCCn3cc(C)nc32)cc1 505904207 NMBVMRVUCNYHTC-INIZCTEOSA-N 436.468 4.208 5 20 IIBD O=C(N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)c1cc2c(cc1[N+](=O)[O-])OCCO2 508485264 XBYBJJXSKYMKOW-XJKSGUPXSA-N 436.386 4.451 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 508766558 WUMBEGSLTZQKDP-UHFFFAOYSA-N 439.295 4.145 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1csc(NC(=O)c2ccccc2)n1 509716785 CIGVXINTBBHYHO-UHFFFAOYSA-N 438.509 4.283 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@H]1C[C@H](C)N(Cc2ccccc2)C1 510147744 OFNHBRWCKRHGMS-BJLQDIEVSA-N 427.570 4.492 5 20 IIBD C[C@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)Oc1ccccc1Br 511514044 QXGHWYMSQNCWEQ-CQSZACIVSA-N 436.306 4.009 5 20 IIBD COCCNC(=O)c1cccc(NCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)c1 512859833 FMQZPRDYBANJIG-UHFFFAOYSA-N 434.496 4.351 5 20 IIBD CNC(=O)COc1ccc(Oc2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])cc1 513758803 GTQZSFZMVQLVDS-UHFFFAOYSA-N 435.436 4.073 5 20 IIBD COC(=O)Cc1ccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc1 514046082 LUJSCVNJOIWUFU-HOTGVXAUSA-N 425.485 4.045 5 20 IIBD C[C@H]1CCC[C@@H](OCCCCCC(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 514686745 JXOHAVXUSVGREX-VQTJNVASSA-N 445.560 4.035 5 20 IIBD C[C@@]12CCCN1C[C@@H](c1noc(-c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)n1)OC2 516684645 HPXMGRMRPWAFSE-REWPJTCUSA-N 435.484 4.183 5 20 IIBD O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 520712841 DLBPIGGNKFQPFW-UHFFFAOYSA-N 447.520 4.158 5 20 IIBD CCC(CC)(CNC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)N[C@@H](C)c1ccccc1 521177472 BKTCCNJHNHBIGJ-INIZCTEOSA-N 436.512 4.488 5 20 IIBD CC(C)(C)N1CCCN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CC1 522937730 WZEBUJUGOQCMOP-UHFFFAOYSA-N 440.331 4.034 5 20 IIBD COC[C@H]1CCN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C1 523492722 JXDODBJMYJJCIS-ZDUSSCGKSA-N 429.523 4.464 5 20 IIBD CCc1oc2ccccc2c1CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 523952910 SPUMLEJRPKLBAT-NRFANRHFSA-N 449.507 4.475 5 20 IIBD CN(Cc1cccc(NS(=O)(=O)c2ccccc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 524360021 ZWIFVQRUXTZQDO-UHFFFAOYSA-N 440.481 4.060 5 20 IIBD CNC(=O)c1cccc(CCNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1 525421032 DPDQMMAJUZNXHM-UHFFFAOYSA-N 434.452 4.111 5 20 IIBD COc1cc(CNCc2nnc(C(C)C)s2)c([N+](=O)[O-])cc1OCc1ccccc1 532331336 YEJALBQDHVTMJA-UHFFFAOYSA-N 428.514 4.447 5 20 IIBD C[C@@H](NC(=O)C[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1Cl 535507466 MCGYXDSRDHBDHW-BRRNQIAESA-N 447.900 4.029 5 20 IIBD O=C(CSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Nc1cccc2nsnc12 536304004 LMXOLWLRTMZPJP-UHFFFAOYSA-N 427.467 4.126 5 20 IIBD CCO[C@@H]1C[C@H](O)C12CCN(Cc1ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c1)CC2 536682264 BLMFEYZZRDDOHZ-FCHUYYIVSA-N 430.476 4.278 5 20 IIBD Cn1ccnc1[C@@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1cccc(F)c1 536859840 WWWOLWREGIWAGF-FQEVSTJZSA-N 431.427 4.049 5 20 IIBD C[C@@H](NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1cccc(OCc2ccccn2)c1 537053170 FXZTYYJSRMKUKR-QGZVFWFLSA-N 448.479 4.218 5 20 IIBD O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 538244744 VWFHLYPZXUNFAP-DOTOQJQBSA-N 444.793 4.449 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)c1 538429289 YBNGHQZPWSHHMZ-CQSZACIVSA-N 428.420 4.047 5 20 IIBD CCC[C@H](NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 539077059 OXBWLSOAXGVZHX-QFIPXVFZSA-N 431.558 4.127 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 539512426 RUILIUHLUWKFEQ-JTQLQIEISA-N 430.454 4.055 5 20 IIBD CC(C)Oc1cc(F)ccc1NC(=O)c1cc(I)cc([N+](=O)[O-])c1 540911231 LVQYERWOVWPKNG-UHFFFAOYSA-N 444.200 4.378 5 20 IIBD C[C@@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)Oc1cccc(Br)c1 541579871 GUUIHGKEJAKQFK-NWDGAFQWSA-N 425.254 4.184 5 20 IIBD COC(=O)C1(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CCCCC1 544330735 XAEUYRHVUCDSHC-MRXNPFEDSA-N 440.500 4.016 5 20 IIBD Cc1cc(Br)ccc1C(=O)N1CCC(NCc2ccccc2[N+](=O)[O-])CC1 544826400 FATUSYBWJCUWAH-UHFFFAOYSA-N 432.318 4.060 5 20 IIBD Nc1ccc(-c2noc(CSc3nnc(-c4cccs4)n3C3CC3)n2)cc1[N+](=O)[O-] 544933174 GHDOSYHVEZMFST-UHFFFAOYSA-N 441.498 4.174 5 20 IIBD Cc1c(Cc2noc([C@@H](C)SCC(=O)Nc3ccc(F)cc3)n2)cccc1[N+](=O)[O-] 545068573 HZQRFXCHUIORPW-CYBMUJFWSA-N 430.461 4.449 5 20 IIBD CN(Cc1ccc(F)c(F)c1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCO1 549619586 KEEXEZJTUBUFGB-GOSISDBHSA-N 443.454 4.337 5 20 IIBD Cc1cc(F)ccc1C1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 552973895 ZZHQHSXSOMVYCS-GOSISDBHSA-N 445.516 4.115 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CC[C@@H](C(F)(F)F)[C@@H](CO)C3)c([N+](=O)[O-])c2)cc1 553601769 OSEFSSBUFTXIJO-NVXWUHKLSA-N 437.418 4.153 5 20 IIBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 554913441 GIDDAWUDMZXELG-QGZVFWFLSA-N 430.404 4.052 5 20 IIBD Cc1noc([C@@H]2CCCCN2C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 557763541 VHOXCOJWEMQDNL-LBPRGKRZSA-N 430.408 4.151 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1N1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 564044832 AGYLXFZFOXXXTM-UHFFFAOYSA-N 438.463 4.465 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(CC(=O)Nc2cccc3ncccc23)no1 564275804 GAWHJKUVJROVKN-MRXNPFEDSA-N 431.452 4.444 5 20 IIBD Cc1ccccc1[C@H]([C@@H](C)Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)N(C)C 567410196 DITCTLCNYOBVEO-VFNWGFHPSA-N 441.919 4.206 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCCCn1cc(Br)cn1 568554730 NDAJGXQDBRBJFH-UHFFFAOYSA-N 444.158 4.105 5 20 IIBD COc1ccc2c(c1)[C@H](c1nc(Cc3ccc([N+](=O)[O-])cc3Br)no1)CC2 569886788 CUARRKBCGBIBAJ-OAHLLOKOSA-N 430.258 4.418 5 20 IIBD C[C@H]1C[C@H](CCNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C[C@@H](C)O1 572138038 CCBNQRJZBSEYKA-XMTFNYHQSA-N 426.517 4.486 5 20 IIBD O=C(c1cc2c(s1)CCCCC2)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 572446718 DXQKCVUSBKHLBP-UHFFFAOYSA-N 439.541 4.154 5 20 IIBD O=C(NCCO)c1ccc(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1Cl 576996408 LABUYUDRQIAFNS-UHFFFAOYSA-N 431.901 4.311 5 20 IIBD O=[N+]([O-])c1cc2c(N3C[C@H]4CCC[C@@]4(c4nc(-c5ccccc5)no4)C3)ncnc2s1 579990631 HHOCUCBINVXQBD-SPLOXXLWSA-N 434.481 4.208 5 20 IIBD Cc1cc(NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n(Cc2ccccc2)n1 580030292 VGDAQANCZHKZQZ-UHFFFAOYSA-N 435.484 4.023 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)cc([N+](=O)[O-])c1 580109353 SRGXGNYKFZTRAW-GOSISDBHSA-N 434.901 4.432 5 20 IIBD O=C(Nc1cccc(NCc2cc(I)cc([N+](=O)[O-])c2)c1)C1CC1 589310740 UPWAKERPUUVOJS-UHFFFAOYSA-N 437.237 4.160 5 20 IIBD Cc1c(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)nnn1-c1cccc([N+](=O)[O-])c1 603492140 KBTCCYALVFMCSF-JOCHJYFZSA-N 427.464 4.198 5 20 IIBD COc1cc(CCNC(=O)Nc2ccc(-c3csc(C)n3)cc2)c([N+](=O)[O-])cc1OC 603652239 WQUIGTOCUFFHKC-UHFFFAOYSA-N 442.497 4.408 5 20 IIBD Cc1ccc(-n2cnnc2SCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1Cl 603680161 IIMISHGGMYYALB-UHFFFAOYSA-N 428.861 4.480 5 20 IIBD O=C(c1n[nH]c2ccccc12)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 603918105 IXHPEMQFWPKYPS-UHFFFAOYSA-N 447.520 4.158 5 20 IIBD CCOc1cc(C(=O)N2CCC(N3c4ccccc4C[C@@H]3C)CC2)c([N+](=O)[O-])cc1OC 603920089 MLPJFPLYWURGGC-INIZCTEOSA-N 439.512 4.058 5 20 IIBD Cc1ccc2nc([C@@H]3CCCN(C(=O)c4cn(C)nc4-c4ccc([N+](=O)[O-])cc4)C3)[nH]c2c1 608986426 FBQNXDSKVNZRCU-QGZVFWFLSA-N 444.495 4.200 5 20 IIBD C[C@@H](c1cccnc1)N(C)C(=O)c1ccc(C(=O)N(C)[C@H](C)c2cccnc2)cc1[N+](=O)[O-] 609044190 JGTOOJQCAHIEOY-SJORKVTESA-N 447.495 4.051 5 20 IIBD COc1ccc(CC(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)cc1[N+](=O)[O-] 609045266 YWXQNNHSXVTNFT-UHFFFAOYSA-N 434.452 4.106 5 20 IIBD COc1ccccc1Oc1ccc(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)cc1F 609442938 SSBXVAYGUALXEI-UHFFFAOYSA-N 449.398 4.368 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(-c3nc(CC(=O)NC4CCCCC4)no3)cc2[N+](=O)[O-])C1 609473712 UIUNNROHLGRVBD-HOTGVXAUSA-N 441.532 4.119 5 20 IIBD CCOC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1C 609700002 QUJMIWVTXQAUKI-UHFFFAOYSA-N 433.269 4.188 5 20 IIBD Cc1cc(F)ccc1N1CCC[C@@H](Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 609765655 ICRXLELAHKBPQG-GOSISDBHSA-N 437.475 4.088 5 20 IIBD CCc1ccc(NC(=O)[C@@H](C)SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cc1 609770686 JCEKHOLNBXIEFW-CQSZACIVSA-N 429.498 4.216 5 20 IIBD CCOC(=O)c1ccnc(Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)c1[N+](=O)[O-] 609962453 BRMAAPVANALNJT-UHFFFAOYSA-N 446.463 4.042 5 20 IIBD COc1ccc(Br)c(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)c1 610040754 MMAUNWYXSACAIT-UHFFFAOYSA-N 444.079 4.058 5 20 IIBD COc1cc(C(=O)NCC2(N[C@@H](C)c3ccccc3)CCCC2)cc([N+](=O)[O-])c1OC 610198134 XYAMPEXZTXYBNM-INIZCTEOSA-N 427.501 4.005 5 20 IIBD Cc1ccc(-c2nnc(-c3ccc(C(=O)NCCNc4ccc([N+](=O)[O-])cc4)cc3)o2)cc1 610907744 OMYNZEJDQAASEO-UHFFFAOYSA-N 443.463 4.462 5 20 IIBD COc1ccc(CNc2nnc(Sc3ncnc4ccc([N+](=O)[O-])cc34)s2)cc1 611700351 QBRAIXHRUKOQHQ-UHFFFAOYSA-N 426.483 4.161 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H](Cn2cnc3ccccc32)C1 619544577 PWFMCBREBNJXDL-AWEZNQCLSA-N 443.301 4.259 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCc2sc(Br)cc2C1 619638848 ULKKNIQUQXWNKI-UHFFFAOYSA-N 426.292 4.408 5 20 IIBD CC[C@@H](C)n1ncc2c(C(=O)OCC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])cc(C)nc21 725953280 AXFOZBOLSUAYHX-GFCCVEGCSA-N 445.863 4.068 5 20 IIBD C[C@@H](OC(=O)c1csc(-c2c(F)cccc2F)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 726218877 UCPMYLCJKSDBLE-SNVBAGLBSA-N 433.392 4.181 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 727396340 PAJDGGNOVSVJEY-INIZCTEOSA-N 426.212 4.024 5 20 IIBD CCN(C(=O)c1ccc(I)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 730471105 LUUHGJPKINOLCZ-UHFFFAOYSA-N 432.164 4.144 5 20 IIBD O=C(N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 730502783 CUNSCBQLOXIUAA-QFIPXVFZSA-N 433.420 4.347 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)cc1 731579152 YFUHHNMRPFHPLE-UHFFFAOYSA-N 437.456 4.309 5 20 IIBD O=C(COc1ccc2cc(Br)ccc2c1)OCC(=O)c1cccc([N+](=O)[O-])c1 731712565 OKTPARCODUZLKY-UHFFFAOYSA-N 444.237 4.315 5 20 IIBD COC(=O)c1cc(OCC(=O)c2cc(C)n(Cc3ccc(F)cc3)c2C)ccc1[N+](=O)[O-] 732621087 DYICBNQGCZZFPO-UHFFFAOYSA-N 440.427 4.249 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 734148015 PQTWTNLJDBSNFC-UHFFFAOYSA-N 440.500 4.247 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCC(CN(C)C)CC2)cc1 737672048 PKJTWWHTIWNGKS-QGZVFWFLSA-N 442.585 4.492 5 20 IIBD O=C(COC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(OC(F)F)c1 738636634 QMROSUOPTZKGTC-UHFFFAOYSA-N 434.376 4.359 5 20 IIBD O=C(CCc1nnc(-c2ccccc2)o1)OCc1ccc([N+](=O)[O-])cc1Br 739579821 LDJGHAYRUJNSSQ-UHFFFAOYSA-N 432.230 4.083 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)Nc1cccc2ncccc12 740409266 DPEJNDDDQQNHQV-LLVKDONJSA-N 444.241 4.090 5 20 IIBD Cc1cc(=O)oc2cc(OCCOC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)ccc12 740946339 VGZYVOIHKVTFSM-AWEZNQCLSA-N 429.450 4.112 5 20 IIBD Cn1nccc1C(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 744283505 LMXCCAIWHHABPQ-UHFFFAOYSA-N 435.223 4.107 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(=O)NC[C@H](C)c1ccccc1 744554917 YITIQIJFXZODRV-ROUUACIJSA-N 439.512 4.050 5 20 IIBD C[C@H](OC(=O)c1ccnc(Oc2ccccc2)c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 749290001 CTRJPZOXYJILTI-ZDUSSCGKSA-N 425.372 4.105 5 20 IIBD C[C@@H](COc1ccc(F)cc1F)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 749577235 WETJRGAQKFRNNR-QMMMGPOBSA-N 449.635 4.486 5 20 IIBD CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)[C@@H]1c1ccccc1OC 750542603 QCZPEXPGTOKMLM-JTSKRJEESA-N 443.475 4.461 5 20 IIBD C[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H](O)c1c(F)cccc1Cl 752646288 XMGXMEANQWDKDO-AYVTZFPOSA-N 433.770 4.232 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c1Br 754053701 ZEQFHYRNBBGLGE-OLZOCXBDSA-N 441.326 4.039 5 20 IIBD C[C@@H]1COCCN(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)C1 754649821 HPOAFLAIAWRALD-ZDUSSCGKSA-N 437.855 4.358 5 20 IIBD CN(C)CCn1ccc2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3Br)cc21 754975950 FNVGTNYJKHMNBU-UHFFFAOYSA-N 449.280 4.265 5 20 IIBD O=C(C[C@@H]1CCCCO1)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 756512257 VMZMUVZYYOFRIG-JXFKEZNVSA-N 432.860 4.430 5 20 IIBD CCOc1cc(NC(=O)N[C@@H]2CCN(C(C)=O)c3ccccc32)c([N+](=O)[O-])cc1OCC 757788386 PFVHZIODFFNWNQ-MRXNPFEDSA-N 442.472 4.012 5 20 IIBD CN1CCC[C@@H](COC(=O)c2cc([N+](=O)[O-])cn2C)[C@H]1c1ccc(C(F)(F)F)cc1 757891999 CGLAFWZOYOKGPH-KBXCAEBGSA-N 425.407 4.192 5 20 IIBD Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)c2cc([N+](=O)[O-])c(F)cc2N)c2ccccc2)c1 758074401 DXJMSYPUQDZKQL-NRFANRHFSA-N 437.427 4.470 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCCCC[C@H]1C[C@@H](O)c1ccco1 759249373 VCFKHWYBBAEKKF-SUMWQHHRSA-N 444.456 4.057 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@H](C[C@@H](C)O)c2ccccc2)CC1 759338562 JSGGEBMNEZKEOX-QUCCMNQESA-N 425.529 4.116 5 20 IIBD CCOc1cn(-c2ccccc2)nc1C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760519220 NDQGMXHFINJMDM-UHFFFAOYSA-N 434.408 4.191 5 20 IIBD C[C@@H](C(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1cccc([N+](=O)[O-])c1 761446186 QBVDABWHHBWJBK-OAHLLOKOSA-N 438.509 4.297 5 20 IIBD CNC(=O)c1ccc(CN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C2CC2)cc1 764999267 BLPHEURIHHYVOT-UHFFFAOYSA-N 432.480 4.097 5 20 IIBD C[C@H](NC1(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCOCC1)c1ccccc1 766098590 RKOMNCFJFRGMLI-FQEVSTJZSA-N 438.572 4.053 5 20 IIBD Cc1cc(C(=O)NC2CCCCC2)ccc1NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 768265956 KKQWZUCXMWEKDY-UHFFFAOYSA-N 449.504 4.214 5 20 IIBD O=C(Nc1ccccc1C(=O)N[C@H]1CCOC2(CCC2)C1)c1ccc([N+](=O)[O-])cc1Cl 769342969 ROPNYWABSHYRLY-AWEZNQCLSA-N 443.887 4.332 5 20 IIBD Cc1ccc([C@H](C)NC(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2O)cc1[N+](=O)[O-] 769954707 SSRCNUNODJGFDS-NSHDSACASA-N 441.362 4.211 5 20 IIBD CCCn1cnnc1COC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 770905045 PFIYMQREZDVDID-UHFFFAOYSA-N 446.847 4.408 5 20 IIBD Cc1nn(Cc2ccc(C(=O)OCc3cn(C)nc3-c3ccccc3)cc2)c(C)c1[N+](=O)[O-] 775285901 SVZNLVAXADLJRN-UHFFFAOYSA-N 445.479 4.214 5 20 IIBD O=C(O[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccc([N+](=O)[O-])c(F)c1 776383643 ONTGAKAZSGJNEH-QGZVFWFLSA-N 440.349 4.101 5 20 IIBD COc1nc(C)ccc1C(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 776743538 YNZNUORKBYEVDS-UHFFFAOYSA-N 441.827 4.432 5 20 IIBD O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@H]1COC(=O)C1(c2ccc(F)cc2F)CCC1 777319159 YXGZEBKAHKMITE-MRXNPFEDSA-N 444.434 4.143 5 20 IIBD Cc1cccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1[N+](=O)[O-] 777748913 KSOXSGMTCXKDPH-SNVBAGLBSA-N 441.318 4.014 5 20 IIBD COc1cccc2[nH]cc(CC(=O)Oc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)c12 778555720 JVZNLMNPSHCJLW-UHFFFAOYSA-N 445.431 4.485 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Br)N1CCC2(CC1)OCCc1ccsc12 778693187 UKDVURRRBABKLM-UHFFFAOYSA-N 437.315 4.123 5 20 IIBD O=C(O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)c1cccc(Oc2nccs2)c1 778799027 KAJASOGIOFOBAX-INIZCTEOSA-N 429.429 4.418 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)[C@H]1CCCN(c2ncnc3sccc23)C1 778813093 VPEGRQHWKMARIR-GJZGRUSLSA-N 426.498 4.429 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2nnc(S)n2CC)CC1 780493677 AIAIXHWBEZMADO-UHFFFAOYSA-N 435.575 4.017 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cccc1[N+](=O)[O-] 781258745 FTRNFEOQTLREDC-CQSZACIVSA-N 445.431 4.082 5 20 IIBD O=C(O[C@H]1CCN(c2cccc(Cl)c2)C1=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 781269422 VCWYDUJOYDRKHG-NRFANRHFSA-N 432.863 4.297 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@H](c2nc(-c3ccc(OCc4cccnc4)cc3)no2)C1 781609828 FNCAXUPWLCOGNC-NRFANRHFSA-N 443.419 4.485 5 20 IIBD Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 781688997 KLMWTVINCMKDHD-XMSQKQJNSA-N 427.457 4.028 5 20 IIBD Cn1nc(C(F)(F)F)c(COC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1Cl 782328140 XOLNOCIJQJHKMD-UHFFFAOYSA-N 446.794 4.481 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccc3cc[nH]c3n2)c2ccccc2)c([N+](=O)[O-])c1 782371688 HSTVWPPEWPYHFK-FQEVSTJZSA-N 430.420 4.316 5 20 IIBD C[C@@H](OC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)C(=O)c1ccccc1C(F)(F)F 786785660 NUHHQDVAJYMXBD-GFCCVEGCSA-N 448.353 4.355 5 20 IIBD COc1ccc(NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)cc1NC(=O)OC(C)(C)C 791213166 WVLWRLPRGVGSLR-UHFFFAOYSA-N 448.451 4.408 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NNC(=S)NCCCCC(F)(F)F 794968375 MKIVOAGMTBZJNM-UHFFFAOYSA-N 449.333 4.045 5 20 IIBD O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)Nc1cc(F)ccc1Cl 795318102 GNKLUTRQKRLIQP-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD COCC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 795356987 UBEDVLYOBDHDAJ-SFQUDFHCSA-N 446.459 4.392 5 20 IIBD COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cc([N+](=O)[O-])c2nsnc2c1 800564314 IAKNWUJVFNCZMZ-UHFFFAOYSA-N 446.448 4.404 5 20 IIBD CCOC(=O)c1cc(C(=O)OCc2nc3ccc(Br)cc3o2)cc([N+](=O)[O-])c1 803090643 LJQKWNZINYEOAS-UHFFFAOYSA-N 449.213 4.032 5 20 IIBD O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)[C@H](O)c1cccc(C(F)(F)F)c1 803813783 YILGPHOVIZAKMR-CQSZACIVSA-N 434.164 4.153 5 20 IIBD Cc1cccc(OCCCc2noc(-c3cc([N+](=O)[O-])ccc3N3CCOCC3)n2)c1C 809382318 BQHMBFMYVKKQCY-UHFFFAOYSA-N 438.484 4.110 5 20 IIBD CCOc1cc(-c2noc(CN(C)c3cc(Br)ccc3[N+](=O)[O-])n2)ccc1O 809466841 ZYJGRBIDJWHHMZ-UHFFFAOYSA-N 449.261 4.148 5 20 IIBD C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1Cl)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 809913377 HLMPIBRQRKADMB-STQMWFEESA-N 426.901 4.405 5 20 IIBD CCC(CC)(OC)c1noc(-c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)n1 810338405 VKHMIPGCBYATMD-UHFFFAOYSA-N 447.469 4.074 5 20 IIBD CC(C)S(=O)(=O)c1cccc(C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 811220308 FLPZLOYIXYUELI-UHFFFAOYSA-N 446.506 4.257 5 20 IIBD COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1C 811375538 DTHZMISVPURFAE-SECBINFHSA-N 443.239 4.061 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCN(C(=O)NCc3cccc([N+](=O)[O-])c3)C2)C1 814365344 GUUBKBFUDXKSMB-MOPGFXCFSA-N 446.548 4.164 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C2)C1 814478297 RBQOCURSERGQLL-SJORKVTESA-N 432.521 4.486 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1cn2ccc(Br)cc2n1 815244940 BKFUBRGCTOBSKT-UHFFFAOYSA-N 444.163 4.381 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@@H](c2nc(-c3cc(Br)ccc3F)no2)C1 815699541 YCHLIVQWPCAGQI-OAHLLOKOSA-N 433.193 4.412 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]1c1nc(-c2ccsc2C(F)(F)F)no1 904917998 JPRILMWBNGSAJO-SECBINFHSA-N 428.348 4.295 5 20 IIBD O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 913137563 KAMZUZPVIRZSNE-HXUWFJFHSA-N 425.485 4.395 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(OC(F)F)cc2OC(F)F)ccc1Cl 917741819 GQEWDEADQXUQKL-UHFFFAOYSA-N 444.746 4.252 5 20 IIBD COC(=O)CC1CCN([C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)CC1 918740006 FCILBEFTRJVAOP-OAQYLSRUSA-N 445.903 4.203 5 20 IIBD Cc1nc(SCC(=O)OCCOc2ccccc2[N+](=O)[O-])c2c(C)c(C)sc2n1 918803211 ZNCJGFSJADYQEB-UHFFFAOYSA-N 433.511 4.239 5 20 IIBD C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)OCCCOc1ccc([N+](=O)[O-])cc1 919208636 CBMGCYICVQHRIQ-GFCCVEGCSA-N 441.267 4.032 5 20 IIBD Cc1nccn1-c1ncccc1CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 919759711 BRCPNNFKFZFDHL-UHFFFAOYSA-N 428.452 4.158 5 20 IIBD C[C@H](Nc1ccc(C(=O)OCC(=O)N[C@@H]2CCCC[C@H]2C)cc1[N+](=O)[O-])c1ccccn1 920546986 MRXYFHBFIXVZLP-SOLBZPMBSA-N 440.500 4.015 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(F)cc1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 1320279417 USWPFTPYFNONAY-UHFFFAOYSA-N 425.438 4.023 5 20 IIBD COc1cc(COC(=O)c2ccc(Cn3cccc3)cc2)c([N+](=O)[O-])cc1OC(F)F 1326469190 DHJAFCGKXBLZOQ-UHFFFAOYSA-N 432.379 4.412 5 20 IIBD CC(C)c1ccc(C2(C(=O)NS(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])CCC2)cc1 1338113070 AXFWIXLGMFJZMH-UHFFFAOYSA-N 436.917 4.298 5 20 IIBD COc1cc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc(Cl)c1OC 1347485452 YBGRCKJWEBIODA-UHFFFAOYSA-N 431.779 4.189 5 20 IIBD NC(=O)[C@@H](NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Cl)cc1 1355127596 UIKSCAUKVFVSNV-IBGZPJMESA-N 441.896 4.356 5 20 IIBD COc1cc(C(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@H]4C4CC4)cc3)CCC2)ccc1[N+](=O)[O-] 1786060060 QGMJIRXATCIKLZ-PMACEKPBSA-N 449.507 4.397 5 20 IIBD Cc1ccc(OCC(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])[nH]4)CCC3)cc2)cc1 1787799313 WPFLXJHOIFWXGF-UHFFFAOYSA-N 448.479 4.058 5 20 IIBD C[C@@H]1CC[C@H](C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])cc4F)CCC3)cc2)O1 1789158951 PTBDXFGIDGILPR-JLTOFOAXSA-N 441.459 4.049 5 20 IIBD C/C(=C\c1ccc(C)o1)C(=O)Nc1ccc(C2(NC(=O)c3nc[nH]c3[N+](=O)[O-])CCC2)cc1 1789583848 OVXFFQPYFLIXBE-WYMLVPIESA-N 449.467 4.071 5 20 IIBD CC[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)n[nH]2)CC1 1820367352 NNEHNONSOMIKCB-IIDMSEBBSA-N 442.520 4.168 5 20 IIBD O=c1c2ccccc2n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2n1Cc1ccccc1 9947299 VNMRWFAARXUVHZ-UHFFFAOYSA-N 443.488 4.293 5 20 IIBD CC(C)OCc1c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12 11242404 YGCLCWPHRKHOCD-CQSZACIVSA-N 426.425 4.450 5 20 IIBD CCN(CCNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)c1cccc(C)c1 17841317 YUXQFRQDYXFSLM-UHFFFAOYSA-N 435.528 4.021 5 20 IIBD Cc1ccc(-n2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nc3ccccc3c2=O)cc1 20752800 JXCRBYOBDYGBPU-UHFFFAOYSA-N 446.488 4.333 5 20 IIBD C[C@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(=O)NCCc1c[nH]c2ccccc12 25375251 JOXQNERXDUFGLV-ZDUSSCGKSA-N 437.477 4.195 5 20 IIBD Cc1cccc(-c2nc(CC(=O)O[C@@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cs2)c1 26212406 ZWAFSSFQCPHECG-ZDUSSCGKSA-N 443.456 4.279 5 20 IIBD C[C@@H](c1nnc(Sc2nc3ccccn3c2[N+](=O)[O-])n1-c1ccc(Cl)cc1)N(C)C 29001757 GNDUMUFOVBUWIU-LBPRGKRZSA-N 443.920 4.250 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1cc(C(=O)NC2CC2)c2ccccc2n1 31782181 GBWXOAAWWCXMRZ-UHFFFAOYSA-N 436.493 4.074 5 20 IIBD O=[N+]([O-])c1ccccc1Oc1nc(CN2CCOCC2)nc2sc3c(c12)CCCC3 46543485 BGIZFJAXPSUPMB-UHFFFAOYSA-N 426.498 4.103 5 20 IIBD COc1cc(CCNC(=O)C2(c3ccc(Cl)cc3)CCCC2)c([N+](=O)[O-])cc1OC 46641763 FMAVTCJDPQSUJB-UHFFFAOYSA-N 432.904 4.436 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C3CC3)[C@@H](C)C(C)C)cc2)cc1[N+](=O)[O-] 58262873 NXZNNOKDCNCZQJ-INIZCTEOSA-N 445.541 4.353 5 20 IIBD CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)C1 63286123 OXFSBOOOLDBWNR-KRWDZBQOSA-N 437.496 4.049 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1c(C)nn(-c2ccccc2C)c1C 63559714 KJPDXMMXNIKHLU-UHFFFAOYSA-N 435.528 4.475 5 20 IIBD CC(C)[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)n1nnc(-c2ccccc2)n1 72016521 SNAQZRZTZKLHMM-SFHVURJKSA-N 449.496 4.208 5 20 IIBD C[C@@H](OC(=O)Cc1cccc2cccnc12)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 105569718 LVKAXZYKVTYQMR-GFCCVEGCSA-N 447.369 4.275 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 109394037 AZHJMNZCWPCFIG-UHFFFAOYSA-N 433.411 4.409 5 20 IIBD Cc1sc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C(N)=O)c1C 110041695 CEJZAFBHFRGMHL-UHFFFAOYSA-N 433.433 4.122 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 139771755 NFGVWEOWAHDBKP-GOSISDBHSA-N 436.515 4.437 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1nc(-c2ccccc2Cl)cs1 255945423 HKWNHJJDRQIVDN-LLVKDONJSA-N 430.873 4.129 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 255958901 GCLIFESNDKUPAS-QUCCMNQESA-N 438.311 4.129 5 20 IIBD O=[N+]([O-])c1cc2c(O)ncnc2cc1N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 301243037 KHWIJECWDOFMDY-AWEZNQCLSA-N 431.855 4.113 5 20 IIBD CC(C)(C)C(=O)N1CCOc2ccc(Nc3ncc([N+](=O)[O-])cc3Br)cc21 301548042 PZMMRIYZUXIBBX-UHFFFAOYSA-N 435.278 4.267 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc(COC2CCCC2)cc1 303819045 OXEDFQZRAZYWMU-UHFFFAOYSA-N 439.468 4.381 5 20 IIBD COc1ccc(CNC(=O)[C@@H](Oc2ccc(F)c(F)c2)c2ccccc2)cc1[N+](=O)[O-] 409832444 KFXXGVVTDDNDAC-NRFANRHFSA-N 428.391 4.318 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1cc(F)c(Br)cc1Cl 410403574 SEFIPZGPLJETDW-UHFFFAOYSA-N 437.674 4.134 5 20 IIBD O=C(O)[C@@H](Cc1ccc(OC(F)F)cc1)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 426821111 PXLNEZMBWBUNBP-GOSISDBHSA-N 432.379 4.242 5 20 IIBD Cc1ccc([C@H](C)NC(=O)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)cc1[N+](=O)[O-] 428819076 QVTANEYGWLKSNZ-YTJPUZGESA-N 429.492 4.176 5 20 IIBD Cc1ccc(-n2nc(C)cc2NC(=O)COc2c(Br)cccc2[N+](=O)[O-])cc1 431230846 RUYGRPOBPDODMB-UHFFFAOYSA-N 445.273 4.177 5 20 IIBD Cc1cc2c(N3CCC[C@@H]3C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)ncnc2s1 432650245 AICLXQVJRVMBGK-CQSZACIVSA-N 449.439 4.117 5 20 IIBD CSCC[C@@H](C)N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435499691 HCLQQDRNSUKOPM-GFCCVEGCSA-N 439.584 4.346 5 20 IIBD Cc1c(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cccc1C(=O)N1CCc2sccc2C1 436634987 OFDFVRUXHOSAET-UHFFFAOYSA-N 437.477 4.121 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)c1nc(-c2cccc(F)c2)no1 437134399 DQXXHGUQQSCGJX-QWRGUYRKSA-N 434.811 4.082 5 20 IIBD O=[N+]([O-])c1cnn(C[C@H](O)CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)c1 438793654 QRWCNHGNBOLRPV-LBPRGKRZSA-N 433.540 4.125 5 20 IIBD CCOc1ccc([C@@H](NC(=O)c2n[nH]c(CC)c2[N+](=O)[O-])c2cccc(Cl)c2)cc1 444339324 SKCNNYBTQDNWCI-GOSISDBHSA-N 428.876 4.452 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)c1ccc(OCc2ccccc2)cc1 444469856 YDLJKWMHDPLFQF-HXUWFJFHSA-N 437.500 4.069 5 20 IIBD CCOc1cc(-c2noc(-c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)n2)ccc1O 445425630 FISAWDPPWHMRNG-UHFFFAOYSA-N 435.440 4.278 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N(CCN(C)C)Cc3ccco3)cc2[N+](=O)[O-])n1 446419282 NAFMUXAHPKYILG-UHFFFAOYSA-N 446.554 4.308 5 20 IIBD O=C1CCCN1Cc1ccc(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])cc1 447686901 SJKQFNXPRCLTJI-UHFFFAOYSA-N 444.360 4.378 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NC[C@@H](C)Oc3cccc(Cl)c3)cc2)c(C)c1[N+](=O)[O-] 460439572 ZEVPERATHFXMDV-CQSZACIVSA-N 442.903 4.307 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)cc1[N+](=O)[O-] 462156318 BTXPLYWTAWOSPA-UZLBHIALSA-N 440.521 4.235 5 20 IIBD Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 464293478 YSDAWPHNORHZIO-UHFFFAOYSA-N 430.692 4.429 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCOc2c(Cl)cc(Br)cc21 464673189 XLCRRCRWFKLQTR-UHFFFAOYSA-N 429.629 4.118 5 20 IIBD Cc1cc(C)n(-c2ccc(CNC(=O)c3ccc(F)cc3[N+](=O)[O-])c(C(F)(F)F)c2)n1 466308482 RHMLXVFTOXOYIV-UHFFFAOYSA-N 436.365 4.485 5 20 IIBD CCOc1cc(NC(=O)NCCc2nc(C(F)(F)F)cs2)c([N+](=O)[O-])cc1OCC 466485949 DBTZYPMYYGAOEQ-UHFFFAOYSA-N 448.423 4.232 5 20 IIBD Cc1sc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)nc1-c1ccc2c(c1)CCC(=O)N2 466623745 WAVZMOTTZIVIDN-UHFFFAOYSA-N 426.429 4.303 5 20 IIBD C[C@@H](CCc1ccccc1[N+](=O)[O-])NCCCNC(=O)c1ccc(Br)cc1 468378388 VMQLAVWMXAFUBN-HNNXBMFYSA-N 434.334 4.088 5 20 IIBD COC(=O)c1cc(C(=O)N2CCSc3ccc(C(F)(F)F)cc32)cc([N+](=O)[O-])c1 469085886 STINGEDTHHDBGO-UHFFFAOYSA-N 426.372 4.153 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC(c2ncc3n2CCCC3)CC1 469199098 KCFKLCLERFKIAZ-UHFFFAOYSA-N 437.525 4.271 5 20 IIBD CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1cccc(C(F)(F)F)c1 469487073 BVBBZXDLWRACIT-SFHVURJKSA-N 432.402 4.195 5 20 IIBD CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 469493845 LDCBHEBHKMRVMJ-RTBURBONSA-N 435.480 4.047 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CSc2ccc(Br)cc21 470511935 ALDPFNQNXABHSE-INIZCTEOSA-N 432.299 4.344 5 20 IIBD COc1cc(C(=O)N[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)c([N+](=O)[O-])cc1OC(F)F 470772902 MCJUGDXTCZXTAX-DNVCBOLYSA-N 436.411 4.163 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2ccc(C)cc2C)C1 471324757 ZUQNHTCJLHQHAH-QGZVFWFLSA-N 442.537 4.497 5 20 IIBD Cc1ccc(SC[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 472253037 YWJXQDISPXQSDT-UWJYYQICSA-N 441.553 4.113 5 20 IIBD CCOC(=O)[C@H](NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 475140778 SUMXFBCPHJPIHK-IIBYNOLFSA-N 448.903 4.488 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 475208870 KJNBHLVKXRKQBI-INIZCTEOSA-N 431.317 4.497 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 475641008 RUIDQMNHEWOASW-OAHLLOKOSA-N 441.406 4.083 5 20 IIBD CN1CC[C@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@H]1c1ccc(Cl)c(F)c1 477441868 XBWFOUXZVBOWPZ-ZUOKHONESA-N 430.867 4.291 5 20 IIBD O=C(Nc1cccc(CN2CCC(CO)CC2)c1)c1cc2cc([N+](=O)[O-])ccc2s1 477742690 QFZPZRUHPZAEJQ-UHFFFAOYSA-N 425.510 4.266 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCc3cc(Br)cc(F)c32)cc1SC 479161480 RFXHALOLTSLABH-UHFFFAOYSA-N 441.278 4.430 5 20 IIBD COC(=O)c1cccnc1S[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 479647884 NIJCHTBIGHBOEJ-NSHDSACASA-N 444.494 4.019 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC)c(N2CCCCC2=O)c1 480626006 VFABUCLTWZNIDZ-UHFFFAOYSA-N 429.498 4.485 5 20 IIBD Cc1ccc(C(=O)N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCC(C)C)CC2)cc1 480680954 CZDAVJGIUHWOPL-UHFFFAOYSA-N 441.553 4.250 5 20 IIBD CCNc1ccc(C(=O)N(CCc2ccccn2)Cc2ccc(OC)cc2)cc1[N+](=O)[O-] 484647894 AVTBDQNTYSNITH-UHFFFAOYSA-N 434.496 4.315 5 20 IIBD COCCN(Cc1cc(OC)c(F)cc1[N+](=O)[O-])Cc1sccc1Br 484890494 ZPCDBJMXWRDZRU-UHFFFAOYSA-N 433.299 4.215 5 20 IIBD O=[N+]([O-])c1ccc(NCCCS(=O)(=O)Cc2ccccc2)nc1-c1ccc(F)cc1 485406053 NDVVZSLSYIRLGG-UHFFFAOYSA-N 429.473 4.213 5 20 IIBD Cc1cc2sc(C(=O)N3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)c(C)c2cc1C 485515264 JBPXDSJPLHPSME-UHFFFAOYSA-N 437.521 4.333 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)cc1[N+](=O)[O-] 488046614 FYGRXCFXCDLDBQ-MRXNPFEDSA-N 443.459 4.190 5 20 IIBD CCCC[C@@H](Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC)C(=O)Nc1cc(C)on1 489456793 OWOVXEDVIWPNIJ-MRXNPFEDSA-N 444.517 4.459 5 20 IIBD COc1c(F)cc(S(=O)(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1[N+](=O)[O-] 491259674 QJVJLRHNERYVCF-UHFFFAOYSA-N 448.394 4.115 5 20 IIBD C[C@H]1[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CCN1Cc1ccccc1 494068828 KPXUGQHBHQZMCQ-NYHFZMIOSA-N 447.485 4.352 5 20 IIBD CCc1ccc(-c2csc(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)n2)s1 498825859 VLVYXIDRGSSLJH-UHFFFAOYSA-N 426.483 4.175 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 499392324 OAYFHPFRNKALLX-UHFFFAOYSA-N 445.401 4.344 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(=O)N(C)[C@H](C)c1ccccc1 500171489 OUFSLQMBKCICPH-MRXNPFEDSA-N 429.542 4.387 5 20 IIBD COC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)nc1C1CC1 504838391 HRKIUYVICLOEPS-UHFFFAOYSA-N 443.525 4.332 5 20 IIBD C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(=O)Nc1cccc(N2CCCC2)c1 505468895 MMVMJSNDDHUUDN-AWEZNQCLSA-N 438.509 4.167 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCO[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-])c1ccccn1 506128348 DLZLKQPNZMOFHO-GAJHUEQPSA-N 432.480 4.377 5 20 IIBD O=[N+]([O-])c1cc(F)c(CSc2nnc(-c3ccccn3)n2Cc2ccco2)c(F)c1 506444100 JHKIQMPEKVRMSB-UHFFFAOYSA-N 429.408 4.460 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)Nc2ccc3c[nH]nc3c2)cc1[N+](=O)[O-] 508022709 KQRAJGUTUDKTBK-UHFFFAOYSA-N 429.436 4.020 5 20 IIBD CCN(C(=O)COc1c([N+](=O)[O-])cnc2ccc(Br)cc12)c1ccccc1 508164279 QDSKLPJVOAYDRY-UHFFFAOYSA-N 430.258 4.337 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@H](c3cccs3)N(C)C)cc2[N+](=O)[O-])C1 512498180 AZHMBOXIVBKVAS-GQIGUUNPSA-N 430.574 4.171 5 20 IIBD Cc1ccc(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1S(=O)(=O)NC1CC1 512609135 FDXVEHQGVDKIFX-UHFFFAOYSA-N 427.482 4.216 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 513031534 LYNZEGKORCSBLL-OAQYLSRUSA-N 445.519 4.301 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F 515267627 STYCGFASKBOEFB-UHFFFAOYSA-N 438.406 4.114 5 20 IIBD COC(=O)c1ccc(OCC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)c([N+](=O)[O-])c1 515425551 PBQCZGHTWMJSCD-KRWDZBQOSA-N 432.448 4.193 5 20 IIBD O=C(NC[C@H](c1c(F)cccc1Cl)N1CCCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 515808997 UUSCZZREHHLMKI-LJQANCHMSA-N 430.867 4.436 5 20 IIBD CC(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c(C(F)(F)F)c1 516341678 RIPOZYDTVRWQEU-UHFFFAOYSA-N 437.783 4.026 5 20 IIBD CC(C)COc1cn(-c2ccccc2)nc1C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 518298842 YNGAOPZYWYHNBP-UHFFFAOYSA-N 446.467 4.253 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@@H](c2nc3ccccc3s2)C1 520074140 CUDHWBINFKHICF-OAHLLOKOSA-N 433.493 4.410 5 20 IIBD O=[N+]([O-])c1cc2c(N3CCO[C@@H](c4ccc(F)c(Br)c4)C3)ncnc2s1 521289780 NKTTYWYHMADSIT-CYBMUJFWSA-N 439.266 4.079 5 20 IIBD O=C1[C@@H](Nc2cccc(COc3ccc4c(c3)OCO4)c2)CCN1c1cccc([N+](=O)[O-])c1 521336108 YADHQAUISRQLMN-NRFANRHFSA-N 447.447 4.120 5 20 IIBD O=C(Nc1cccc(C[S@@](=O)C2CCOCC2)c1)Nc1ccc([N+](=O)[O-])cc1Cl 522370950 USGNKWLKQUMXIY-GDLZYMKVSA-N 437.905 4.320 5 20 IIBD O=C(Nc1ccc(F)cc1)N[C@H]1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 523551620 YIBTYBNTPYVIEJ-FQEVSTJZSA-N 448.454 4.365 5 20 IIBD COc1cc(CNC[C@@H]2CCCn3cc(C)nc32)ccc1OCc1ccc([N+](=O)[O-])cc1 525182236 WCSCULPZDMZUIJ-FQEVSTJZSA-N 436.512 4.355 5 20 IIBD COc1cc(CNc2ccn(Cc3ccncc3)n2)ccc1OCc1ccc([N+](=O)[O-])cc1 532428378 ROALHXUGFRJJMF-UHFFFAOYSA-N 445.479 4.434 5 20 IIBD COc1ccc(CNc2cccc(C(=O)N(C)C)c2)cc1OCc1ccc([N+](=O)[O-])cc1 532727889 PDMIBVXQQAVVAA-UHFFFAOYSA-N 435.480 4.496 5 20 IIBD CCC(=O)N1CC[C@H](C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)C1 532983975 UBBGLCLBWRJOQN-AWEZNQCLSA-N 449.866 4.054 5 20 IIBD Cc1ccc(NC(=O)C(=O)NCc2ccc(-c3ccc4c(c3)C[C@H](C)O4)cc2)cc1[N+](=O)[O-] 533838956 OZFDAEBFEVLCPO-INIZCTEOSA-N 445.475 4.149 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1cc(Br)cn1C 537154491 PMVMLIDTJWMIQQ-UHFFFAOYSA-N 426.336 4.469 5 20 IIBD NC(=O)c1ccc(SCC(=O)Nc2ccccc2Nc2ccc(F)cc2)c([N+](=O)[O-])c1 537493745 WFICTVPPKXUZEG-UHFFFAOYSA-N 440.456 4.307 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCC[C@@H]1C1CCOCC1 537518696 PPWMYJQRCZLZKK-QGZVFWFLSA-N 439.299 4.119 5 20 IIBD CS(=O)(=O)NCc1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 538831937 GHAPPGFPLXLIFW-UHFFFAOYSA-N 435.889 4.170 5 20 IIBD C[C@@H](C(=O)NCc1ccc(OCCOc2ccccc2)nc1)c1ccc([N+](=O)[O-])cc1F 541609676 BWDLNUZPIVYLAL-MRXNPFEDSA-N 439.443 4.007 5 20 IIBD O=C(CSc1nc(-c2ccccc2)no1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 541727834 HSNNXOWHMZXQIR-GOSISDBHSA-N 428.495 4.011 5 20 IIBD CC[C@H](N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1nc(C(F)(F)F)cs1 543495429 AUWISTXHAFNRKD-KOLCDFICSA-N 432.424 4.147 5 20 IIBD CCN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCN(Cc2ccccc2)C1 544849049 ILDXJLLMGLSJQV-HXUWFJFHSA-N 436.537 4.455 5 20 IIBD O=[N+]([O-])c1ccccc1Cc1noc(-c2cccc(S(=O)(=O)Cc3ccccc3)c2)n1 546241652 BSFSUHPVNYARJY-UHFFFAOYSA-N 435.461 4.210 5 20 IIBD COc1ccc(Cl)cc1N1C[C@@H](c2nc(-c3ccc([N+](=O)[O-])cc3C)no2)CC1=O 546397850 VOAIFAANXYCTNM-LBPRGKRZSA-N 428.832 4.136 5 20 IIBD COCCOc1ccc(Cl)cc1-c1noc(-c2cc(OC)c(OC)c([N+](=O)[O-])c2)n1 547175247 PIUCVAWJGDMKIB-UHFFFAOYSA-N 435.820 4.008 5 20 IIBD Cc1nc(SCc2nc(Cc3ccc([N+](=O)[O-])cn3)no2)c2c(C)c(C)sc2n1 547198598 ZOQNXCBGDVFNHG-UHFFFAOYSA-N 428.499 4.186 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 548093190 YKNGGRZUQXBOGV-UHFFFAOYSA-N 427.438 4.141 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CN3CCc4cc(Br)cc(F)c4C3)n2)cc1 553072545 ORBIXZLVSOSAAU-UHFFFAOYSA-N 433.237 4.105 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(C)cc1Sc1nnc(-c2ccc(OC(F)F)cc2)o1 553251597 BVBUFFLMUCSABS-UHFFFAOYSA-N 437.380 4.492 5 20 IIBD CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)c4ccc(Sc5nc(C)cs5)c([N+](=O)[O-])c4)[C@@H]1[C@H]3C2 553323440 LFQZYOFCRCVTIF-IZOOLLGQSA-N 431.539 4.006 5 20 IIBD CCOC(=O)C(C)(C)c1csc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1 557979830 MDRIITLCJKMGBG-UHFFFAOYSA-N 446.510 4.268 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ccccc1OC(F)F 560170015 DCDJHCIVUKEZBN-GFCCVEGCSA-N 435.427 4.310 5 20 IIBD O=C(Nc1c(F)cc(F)cc1Br)N1CCOc2ccc([N+](=O)[O-])cc2C1 562089247 RYKDWJJEKKVSQV-UHFFFAOYSA-N 428.189 4.062 5 20 IIBD CC[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(OC)c(OC)c1 569637005 DEISXWMJNOADED-FQEVSTJZSA-N 430.504 4.439 5 20 IIBD C[C@H](NC(=O)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1)c1cccc([N+](=O)[O-])c1 574311569 YXYMAPVZLNRYRS-SCLBCKFNSA-N 439.390 4.338 5 20 IIBD CC1(C)CCC(c2noc([C@@H]3CCCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)C3)n2)CC1 589155705 XBZSMZLJFURSMX-MRXNPFEDSA-N 448.545 4.230 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)N[C@@H](c2c(Cl)cccc2Cl)C2CC2)cc1[N+](=O)[O-] 589540640 VPMYYYGSTNCTBL-QGZVFWFLSA-N 443.308 4.186 5 20 IIBD COc1cc(CNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)ccn1 599793452 NPEMFGAYAYQEMT-UHFFFAOYSA-N 426.860 4.194 5 20 IIBD CC[C@@H](c1ccccc1)N(CC)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 603528601 NVHXZIXAYPPWJK-KRWDZBQOSA-N 425.514 4.488 5 20 IIBD C[C@H]1Sc2ccc(C(=O)N(Cc3ccccc3[N+](=O)[O-])CC(F)(F)F)cc2NC1=O 603613751 PEUPKARXBAUIFS-LLVKDONJSA-N 439.415 4.232 5 20 IIBD CNc1ccc(C(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)cc1[N+](=O)[O-] 603879282 PBVUPIMTMFXTLN-UHFFFAOYSA-N 426.376 4.440 5 20 IIBD O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 603991101 XTQQXKJYSQHMJG-UHFFFAOYSA-N 436.512 4.464 5 20 IIBD COc1ccc(CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)cc1[N+](=O)[O-] 604018007 MYSDCSHFZQMCMU-UHFFFAOYSA-N 428.876 4.496 5 20 IIBD C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccc(OCc2ccccn2)c1 604040068 FETOOHYZFPBQPT-CQSZACIVSA-N 447.900 4.262 5 20 IIBD CCOc1ccc(NC(=O)CN2CCc3[nH]c4ccc(Cl)cc4c3C2)c([N+](=O)[O-])c1 609197377 RMHDGAMGSODFFJ-UHFFFAOYSA-N 428.876 4.125 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSc1nnc(-c2ccc(Cl)cc2)o1 609750089 ZHEBGLGMMCMACG-UHFFFAOYSA-N 432.845 4.389 5 20 IIBD Cc1cc(OCc2ccccc2)ccc1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 609755254 FBEXABIWPICGCQ-UHFFFAOYSA-N 429.436 4.315 5 20 IIBD CC(=O)N1CCC[C@@H](C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)C1 609791481 DJDOBHOFNLPUFI-OAHLLOKOSA-N 449.866 4.054 5 20 IIBD COc1ccc([C@@H](NC(=O)COc2ccc(Br)cc2[N+](=O)[O-])C2CC2)cc1 610219619 XKTQSBMABDNTAI-IBGZPJMESA-N 435.274 4.012 5 20 IIBD Cc1cc(C)c(OCC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c(C)c1 610925174 VPHWKRZOILLGJE-IBGZPJMESA-N 428.485 4.098 5 20 IIBD CN(Cc1ncc[nH]1)[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 611236974 IOAONQFUUNRGKG-FQEVSTJZSA-N 448.508 4.253 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)Nc1cccc([N+](=O)[O-])c1C 611530069 LIBIAJPMJKIJBZ-OAQYLSRUSA-N 435.484 4.311 5 20 IIBD CC(=O)c1ccc(NC(=O)COc2c([N+](=O)[O-])cnc3ccc(Br)cc23)cc1 612661181 RVZLQMUUBGRACG-UHFFFAOYSA-N 444.241 4.126 5 20 IIBD Cn1cc(-c2cncc(C(=O)Nc3ccc(OCc4ccccc4)cc3[N+](=O)[O-])c2)cn1 615039922 QJZFYXGOCWAEPB-UHFFFAOYSA-N 429.436 4.222 5 20 IIBD CC(=O)Nc1cccc2c1CCN(c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])C2 618583497 CPNBPFXUBBQYLO-UHFFFAOYSA-N 430.333 4.165 5 20 IIBD O=C1CN(CN2CCC[C@@H]2c2cccc3ccccc23)C(=O)N1c1cccc([N+](=O)[O-])c1 726586820 QSLSELFVMYAXGP-JOCHJYFZSA-N 430.464 4.311 5 20 IIBD CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 727987965 NFXNLRPLUNRLEI-UZANMSMRSA-N 446.554 4.223 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 730267586 QBANPQYCPWRXTB-CABCVRRESA-N 445.520 4.331 5 20 IIBD O=C(COC(=O)c1c(Cl)cccc1[N+](=O)[O-])NCc1ccccc1OC1CCCC1 730645414 WKZJBKYGCZRTKP-UHFFFAOYSA-N 432.860 4.043 5 20 IIBD CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)OCCOc1ccc([N+](=O)[O-])cc1)O[C@@H](C)C2 730657127 VLWSVVGNZRVXCD-ADLFWFRXSA-N 427.453 4.043 5 20 IIBD CCNC(=O)c1cc(Cl)ccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 731464192 XAPHATMOJNAGGR-UHFFFAOYSA-N 433.895 4.197 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3nc4cc(F)ccc4n3C)cc2[N+](=O)[O-])C1 732108577 UOJMCGZFEUUONG-HUUCEWRRSA-N 439.491 4.033 5 20 IIBD O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 741997018 IRAJQXJNSLIYAR-RYQLBKOJSA-N 444.509 4.061 5 20 IIBD C[C@@H]1C[C@@H]1[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(Cl)cc1 741998317 JXZMJEDUKOBXOM-IBZMOEQTSA-N 429.904 4.212 5 20 IIBD CC[C@H](C)[C@@](C)(O)CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 742200179 ISWIYBLJLKIFPZ-ZSEKCTLFSA-N 433.892 4.027 5 20 IIBD C[C@@H](NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1nc(-c2ccc(Cl)cc2)no1 742945534 XDWUYGNVUOPYGU-SNVBAGLBSA-N 439.815 4.043 5 20 IIBD C[C@@H](OC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(=O)Nc1ccccc1C(F)(F)F 744623827 ZOGFUILRBLUCPK-GFCCVEGCSA-N 435.358 4.139 5 20 IIBD Cc1ccc([C@](O)(CC(=O)OCc2cc([N+](=O)[O-])ccc2OC(C)C)C(F)(F)F)o1 744657411 UMOWFZPHDQPCGY-GOSISDBHSA-N 431.363 4.167 5 20 IIBD C[C@@H](OC(=O)c1cc2cc(C(F)(F)F)ccc2n1C)C(=O)Nc1ccccc1[N+](=O)[O-] 745629093 DFTBBJNDSPNVME-LLVKDONJSA-N 435.358 4.289 5 20 IIBD C[C@@H]1[C@@H](C(F)(F)F)OC(=O)N1c1ncccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 746486682 ZWDBWJVIKWHAID-OQPBUACISA-N 444.753 4.172 5 20 IIBD C[C@@H]1[C@@H](C(F)(F)F)OC(=O)N1c1ncccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 746487727 SQCAYVXVJCBNSR-OQPBUACISA-N 444.753 4.172 5 20 IIBD Cc1c(C(=O)Nc2ccc(CCN3CCCCC3)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748625020 AFGMPASMZMDBCP-UHFFFAOYSA-N 426.473 4.401 5 20 IIBD CC(C)(C)OC(=O)N(CC1CC1)C1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 750849526 SJJXCAGPBRFCMR-UHFFFAOYSA-N 437.924 4.500 5 20 IIBD COCCCCN(Cc1ccccc1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl 752236525 XUHABEVGYVGWHS-UHFFFAOYSA-N 426.922 4.174 5 20 IIBD Cc1nc(CC(=O)O[C@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])c(C)s1 753471685 JCDPGPRABHMLSY-MRXNPFEDSA-N 427.320 4.405 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 753596878 ZLKKUHRGMQEYNY-HNNXBMFYSA-N 441.315 4.004 5 20 IIBD Cc1cc(NC(=O)COC(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)ccc1Br 754987163 IZTZZKCELXENEJ-UHFFFAOYSA-N 445.628 4.254 5 20 IIBD C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 754993689 JTLWZSUQKRBNOT-IUODEOHRSA-N 436.281 4.062 5 20 IIBD C[C@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(N2CCOC2=O)cc1 755035957 QROXOTHHVOJSOB-NSHDSACASA-N 449.261 4.197 5 20 IIBD C[C@H](OC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccc(OC(F)F)cc1 755067467 RDVMXNOQFQZNJO-QWRGUYRKSA-N 426.347 4.009 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)Nc1ccc(OCc2noc(C3CC3)n2)cc1 757226425 ZLAMTWFOJOMSFC-UHFFFAOYSA-N 443.847 4.409 5 20 IIBD Cc1c([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2Br)cnn1-c1ccc(F)cc1 757981809 IYXJTNJQPTZWAE-LLVKDONJSA-N 447.264 4.482 5 20 IIBD COC(=O)c1ccccc1N(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)C1CCC1 763185617 JOMOPCAMCYIGJL-UHFFFAOYSA-N 433.258 4.343 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC(O)(c2ccccc2Cl)CC1 765622588 ZALXFLBLSKZVHM-UHFFFAOYSA-N 432.907 4.459 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CCCC[C@H]2C2OCCO2)cc1 769301704 XNZUSCDWQHUBQI-QFIPXVFZSA-N 434.496 4.175 5 20 IIBD CN(CCC1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1)C(=O)OC(C)(C)C 769759736 LDOKBVCCCPJQDR-UHFFFAOYSA-N 425.913 4.357 5 20 IIBD C[C@H](Cc1noc(-c2ccc([N+](=O)[O-])cc2Br)n1)N(C)C(=O)OC(C)(C)C 771124529 JECTYSWZWXNQRR-SNVBAGLBSA-N 441.282 4.205 5 20 IIBD CC(C)(CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])NC(=O)OC(C)(C)C 774667088 MWLFMORLLLIDHQ-UHFFFAOYSA-N 428.358 4.359 5 20 IIBD C[C@H](N[C@@H](C)c1cccc(N2CCCC2=O)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 775278088 HSCJMLGXJDOOAS-KBPBESRZSA-N 430.892 4.053 5 20 IIBD CSc1cccc(C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c1[N+](=O)[O-] 776750764 FYYLSCYFMBVLLO-OAHLLOKOSA-N 447.469 4.038 5 20 IIBD CCOC(=O)c1c(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)sc(C(C)=O)c1C 777942306 LRNOZOOCVYXOQF-UHFFFAOYSA-N 426.397 4.075 5 20 IIBD C[C@H](Nc1ccc(C(=O)O[C@@H]([C@@H]2CCOC2)C(F)(F)F)cc1[N+](=O)[O-])c1ccccn1 778036255 DTYCTXYBRLNNNZ-WRSAYESZSA-N 439.390 4.287 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 778135550 CUBBISPNLHKETI-GFCCVEGCSA-N 426.803 4.394 5 20 IIBD COc1ccc(COC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c(Br)c1OC 778165307 GRHAOZGGCZKOMQ-UHFFFAOYSA-N 446.200 4.210 5 20 IIBD O=C(CCN1CCc2c(F)cc(Br)cc2C1)Nc1cc([N+](=O)[O-])ccc1F 782511226 QJHJMOVICLICBZ-UHFFFAOYSA-N 440.244 4.022 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 784183283 AWFIATXWECSQOO-CEWLAPEOSA-N 436.512 4.264 5 20 IIBD Cc1ccc2nc(-c3cccnc3)cc(C(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)c2c1 785590794 HZWWTNVUPYHPPO-UHFFFAOYSA-N 442.479 4.187 5 20 IIBD CC(=O)c1ccc(NC(=O)COC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1 787248503 STPIEGMZUZUSDO-UHFFFAOYSA-N 448.431 4.172 5 20 IIBD COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])c1 788363583 AQCYDDYKQWXCER-GREBRCKQSA-N 434.448 4.443 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N(CCC(F)(F)F)CC(F)(F)F)cc1[N+](=O)[O-] 790483196 DDYLRZFUUVHXEM-UHFFFAOYSA-N 428.738 4.062 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)N(Cc2ccccc2)C[C@H](O)c2ccsc2)c1[N+](=O)[O-] 790856189 GLOKCJHDEXCAGA-IBGZPJMESA-N 446.550 4.198 5 20 IIBD CC(C)N(C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1cnc2ccccc2c1 791029334 XYEABRWXRSCPPB-INIZCTEOSA-N 436.443 4.077 5 20 IIBD CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc([N+](=O)[O-])c(F)cc1N 791325010 XSBXRXWXNGOIAE-UHFFFAOYSA-N 443.262 4.114 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc([N+](=O)[O-])c1C 791687470 FMIQNLDTGJFARB-JTQLQIEISA-N 427.240 4.403 5 20 IIBD CC(C)CO[C@H](C)c1noc(CN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)n1 792896964 IXCLWFHOUMHTPD-GFCCVEGCSA-N 439.310 4.032 5 20 IIBD O=[N+]([O-])c1cc(CN[C@@H](CO)c2ccccc2OC(F)(F)F)ccc1Br 793349052 OIVVQHQRQGNOCT-ZDUSSCGKSA-N 435.196 4.079 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1)c1cccc([N+](=O)[O-])c1 794845585 BQMBQMGOPCSFDJ-UHFFFAOYSA-N 448.362 4.312 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)OCc1nc(-c2cccc(C(F)(F)F)c2)no1 795711686 FRLVCEDHCWTQOQ-UHFFFAOYSA-N 437.330 4.419 5 20 IIBD Cc1ccc2c(c1)CC[C@H](C(=O)N(Cc1nnc(-c3cccc([N+](=O)[O-])c3)o1)C(C)C)O2 796532017 RDLXYNVITLBGAN-HXUWFJFHSA-N 436.468 4.084 5 20 IIBD CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F 798225392 UUAUQLRAMKBAIF-UHFFFAOYSA-N 426.775 4.227 5 20 IIBD COCC1(CNc2ccc([N+](=O)[O-])c3cccnc23)CCN(C(=O)OC(C)(C)C)CC1 804719262 MZFAORHLLFLSMT-UHFFFAOYSA-N 430.505 4.219 5 20 IIBD COc1ccccc1C[C@H](C)N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 809820633 DSDZAZBDEJIRNV-NSHDSACASA-N 433.313 4.162 5 20 IIBD C[C@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCCCC2=O)cc1 811009955 UFFHJEMRFGQDND-JKSUJKDBSA-N 427.526 4.470 5 20 IIBD CC(C)(CCc1noc(CSCc2nc(O)c3c4c(sc3n2)CCCC4)n1)[N+](=O)[O-] 812811673 DYVNPEXYTXBDNG-UHFFFAOYSA-N 449.558 4.080 5 20 IIBD C[C@H](CC(=O)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 815206964 RNGOMZDXAAWLDH-LLVKDONJSA-N 449.378 4.048 5 20 IIBD CC(C)[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)C(=O)N1CCCC1 877721624 VANJLYFOLZILGE-OAQYLSRUSA-N 425.485 4.011 5 20 IIBD CCc1c(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1Cc1ccccc1 915526620 PTITWWACKAQPED-HNNXBMFYSA-N 447.451 4.370 5 20 IIBD COc1cc(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])ccc1OC(C)C 915698135 ZEADAMOKHUHPHP-UHFFFAOYSA-N 442.390 4.262 5 20 IIBD Cc1cc(-c2noc([C@H](C)OC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)n2)ccc1F 919145276 YXFQBCPEVWDQDQ-ZDUSSCGKSA-N 437.387 4.196 5 20 IIBD Cc1cc(-c2noc([C@H](C)OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)ccc1F 919227200 IWFUKKUDIRSBSE-NSHDSACASA-N 430.348 4.227 5 20 IIBD CN(Cc1ccc(Br)s1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1N 1256679858 LPUAPQPOTVAUHF-UHFFFAOYSA-N 449.124 4.036 5 20 IIBD Cc1ccc(-c2nnc(N(C)CCc3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCOC2)c(C)c1 1263518107 GILUFZRYJXPLNO-FQEVSTJZSA-N 435.528 4.186 5 20 IIBD C[C@H]1CCc2ccccc2N1CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 1323390278 NZZQDJPUOWGOOW-IBGZPJMESA-N 425.532 4.112 5 20 IIBD O=C(NCCCOCc1ccccc1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 1339271527 CXXIOEOPTXAUGC-UHFFFAOYSA-N 449.294 4.424 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC1(c2ccc(NC(=O)c3ccc[nH]3)cc2)CCC1 1789685235 RJMPAHYFIDJYRV-UHFFFAOYSA-N 447.495 4.050 5 20 IIBD Cc1[nH]ccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 1797129381 GYDCIHRWTKPQEQ-MUJYYYPQSA-N 438.509 4.012 5 20 IIBD CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(F)c3[N+](=O)[O-])n[nH]2)CCCC1 1821168274 VZNUIVAUXLVWNN-KRWDZBQOSA-N 443.479 4.343 5 20 IIBD C[C@H]1CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)CC1 1823616231 QKKYZUMXZBNMNS-WDSOQIARSA-N 431.533 4.247 5 20 IIBD CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccc([N+](=O)[O-])o3)CC2)CCC1 1824275968 KYJDGRKUXPEHNN-FNQPIQQGSA-N 429.517 4.011 5 20 IIBD COc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CC3CCC3)CC2)ccc1[N+](=O)[O-] 1832698170 ULULHXYRGAMWNG-HXUWFJFHSA-N 443.544 4.027 5 20 IIBD CC1(C)CCC(CC(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc([N+](=O)[O-])o3)C2)CC1 1841444560 RXOPHAJSCAZOEH-GQCTYLIASA-N 429.517 4.011 5 20 IIBD C[C@H](C(=O)N1CCCC12CN(C(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2)c1ccccc1 1847051110 AMUXDMSFWILOHG-INIZCTEOSA-N 449.532 4.430 5 20 IIBD Cc1ccc(S(=O)(=O)Oc2ccc3c(=O)c(-c4ccccc4)coc3c2)cc1[N+](=O)[O-] 14099857 CNZYLDIORGLOIW-UHFFFAOYSA-N 437.429 4.444 5 20 IIBD CCc1nc2ccccc2n1CC(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 15597606 UFBIYIUPURKPIQ-UHFFFAOYSA-N 444.447 4.365 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)OCc2cc(Cl)c3c(c2)OCCCO3)cc1OC 19159781 XHQYVBGYRQIEJV-UHFFFAOYSA-N 437.832 4.174 5 20 IIBD CC(=O)Oc1ccc(-c2ccc(C(=O)O[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])cc2)cc1 21735585 MGDKBIKOAIDPSS-OAHLLOKOSA-N 448.431 4.371 5 20 IIBD CNc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)cc1[N+](=O)[O-] 22273148 RFPFCHJUNNXRMG-INIZCTEOSA-N 433.464 4.411 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)OCc2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] 25121385 FIUWYGRGQCFTRF-UHFFFAOYSA-N 449.419 4.157 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)C2(c3cccc(F)c3)CCCC2)c([N+](=O)[O-])c1 28470764 PPSRDHHDWKWIOV-UHFFFAOYSA-N 430.432 4.126 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1cccc(CN2CCCC2)c1 32464248 AEFGLESQTZBITH-UHFFFAOYSA-N 425.532 4.067 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCC2(N(C)C)CCCCC2)cc1[N+](=O)[O-])c1ccccn1 64691872 LFYQXRXZPCJDJP-QGZVFWFLSA-N 425.533 4.157 5 20 IIBD CC(C)n1ncc2c(C(=O)NCCNc3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)nc21 105196672 PMJLYMLBZDZEFW-UHFFFAOYSA-N 444.495 4.429 5 20 IIBD O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c1 105564080 ZRXUZCGOMGZKLU-UHFFFAOYSA-N 443.423 4.072 5 20 IIBD CC(C)c1nnc(S[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1C 110239296 NUUNIZTWORPXQZ-LLVKDONJSA-N 432.531 4.090 5 20 IIBD COC(=O)c1cccc(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c1O 111057593 IJZWOUNDBLONAN-UHFFFAOYSA-N 445.478 4.255 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1cc(Br)cnc1Cl 127446630 FUUSBLFATJFUNF-UHFFFAOYSA-N 435.459 4.421 5 20 IIBD C[C@@H]1C[C@@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CCN1Cc1ccccc1 301529488 JFSXLNKHZAVTJK-ZBFHGGJFSA-N 439.484 4.056 5 20 IIBD CN(Cc1cccc(Br)c1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] 429940619 AUDDNWXOQKNJFQ-UHFFFAOYSA-N 428.080 4.392 5 20 IIBD CCOc1cc(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)c([N+](=O)[O-])cc1OC 431140001 PVZQMNISJUUQKI-SWLSCSKDSA-N 435.274 4.051 5 20 IIBD O=C(Nc1cccc(Oc2ccccc2)c1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 431528132 JSGIJTKVIZJUNC-UHFFFAOYSA-N 431.404 4.293 5 20 IIBD COC(=O)COc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Cl 433545375 RWFKMZFLCNVEHG-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N1CCC(CO)CC1 434627890 NWXLBTZUZUTLRN-AQTBWJFISA-N 437.521 4.366 5 20 IIBD O=c1c(Cl)c(N[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)cnn1-c1ccc([N+](=O)[O-])cc1 435604338 OWMQRLLDXJHNMN-NNUKFRKNSA-N 432.814 4.430 5 20 IIBD COC(=O)COc1ccc(CN[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)cc1[N+](=O)[O-] 435751478 RZOUANLPXGAFLN-JCNLHEQBSA-N 438.402 4.201 5 20 IIBD O=C(NCCCn1cnc2ccccc21)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 435835887 OHGCOMYPAAXLKR-UHFFFAOYSA-N 432.430 4.129 5 20 IIBD CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1cccc([N+](=O)[O-])c1O 436776109 TVJGPTZMLMBWHY-UHFFFAOYSA-N 426.448 4.315 5 20 IIBD C[C@@H](NC(=O)c1sc(N2CCOCC2)nc1-c1ccccc1)c1cccc([N+](=O)[O-])c1 440684368 VHHBAROZCVALCY-OAHLLOKOSA-N 438.509 4.046 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N2CC[C@@H]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] 441566570 DTGYNPIXSAFIMC-SJORKVTESA-N 440.521 4.046 5 20 IIBD CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1c[nH]c2ccccc12 442891392 RKUNNCQKYJCATI-UHFFFAOYSA-N 431.290 4.299 5 20 IIBD O=C(Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 442943273 NVWTYOMKPVCTOF-FGZHOGPDSA-N 425.485 4.130 5 20 IIBD Cc1ccc([C@H](NC(=O)c2cc(C)ccc2[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 443938902 PZZTXEOFJJWIQJ-QFIPXVFZSA-N 438.505 4.135 5 20 IIBD C[C@H](NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1ccc([S@](C)=O)cc1 444233508 BCBKECUALYURTM-ICNDJQDOSA-N 440.471 4.188 5 20 IIBD CN(C)c1nc2cc(NC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)ccc2o1 444233700 ULNGDXZTBOZENI-UHFFFAOYSA-N 434.402 4.419 5 20 IIBD O=C(Cc1noc(-c2n[nH]c3ccc([N+](=O)[O-])cc23)n1)Nc1cccc(Cl)c1Cl 445369221 KOETWTYHFPUBKV-UHFFFAOYSA-N 433.211 4.009 5 20 IIBD COc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1Br 445802398 MTNSVIAIUMGEAM-UHFFFAOYSA-N 444.079 4.310 5 20 IIBD O=C(Nc1cc(N2CCCC2=O)ccc1Cl)c1sc(Br)cc1[N+](=O)[O-] 446100194 NJXCDZAFRSUYFP-UHFFFAOYSA-N 444.694 4.451 5 20 IIBD CO[C@@]1(C)CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2ccccc2)CC1 460438181 RJACORDFBMBTGU-DEOSSOPVSA-N 435.528 4.491 5 20 IIBD O=C(Cc1ccc(OCCOc2ccccc2)cc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 461402240 WCCKFJHREDUISR-UHFFFAOYSA-N 448.475 4.016 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 463967999 XJWNVGMSJPPVIU-MRXNPFEDSA-N 444.919 4.172 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)cc1OC 464349754 JOTBIVAJBVIADO-UHFFFAOYSA-N 448.888 4.350 5 20 IIBD C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[S@@](=O)Cc1cc([N+](=O)[O-])cc2c1OCOC2 467248074 JRYUJEZGUYCBKW-ZEKRQZSVSA-N 449.872 4.175 5 20 IIBD CSCC[C@H](CO)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 467917391 AJOIGDUQZLSKKQ-CYBMUJFWSA-N 426.947 4.243 5 20 IIBD C[C@H](CC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)c1cccc(F)c1 468732346 GQQFYORLSXWXAM-GFCCVEGCSA-N 441.381 4.190 5 20 IIBD Cc1ccccc1[C@@H](OC[C@@H](O)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)c1ccccc1 470880553 RAJPURJAWGJXMQ-OFVILXPXSA-N 444.491 4.329 5 20 IIBD CN1CCOc2ccc(NC(=O)CSc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc21 471564862 YQJLIWFZVHLFBW-UHFFFAOYSA-N 427.404 4.173 5 20 IIBD CC(C)(C)N(CC(=O)Nc1ccc(F)cc1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 475358371 MYKRSSMUWRRPKI-UHFFFAOYSA-N 427.436 4.023 5 20 IIBD O=C(c1ccc2nc(-c3ccccc3)oc2c1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 476049773 JRTQMHLVZVOUQL-KRWDZBQOSA-N 429.436 4.125 5 20 IIBD CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)cc1 477708213 QGAHKIHAFAKBRC-OAHLLOKOSA-N 428.489 4.277 5 20 IIBD Cc1ccc([C@H](NCc2ccc([N+](=O)[O-])cc2F)c2cccc(S(C)(=O)=O)c2)cc1 478178031 NVTFGBPMKWADAQ-QFIPXVFZSA-N 428.485 4.325 5 20 IIBD COc1cc(Oc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)ccc1[N+](=O)[O-] 480549662 FAVAAKXFGTZRRF-UHFFFAOYSA-N 442.737 4.009 5 20 IIBD CCCCN1C(=O)CC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(OC)cc1 481623699 JVDKTIPBGHBQQG-UNMCSNQZSA-N 425.485 4.322 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccc(C(=O)N2CCCCC2)c1 481714688 OEUFFKSPVKFNFC-UHFFFAOYSA-N 430.892 4.239 5 20 IIBD O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 482053685 NBAZLEJPGKFKBR-UHFFFAOYSA-N 430.449 4.409 5 20 IIBD C[C@H](c1ccccc1Br)N(C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 482463184 KJCDTXUFHLDGSX-CYBMUJFWSA-N 429.274 4.376 5 20 IIBD CC[C@H](CNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)Oc1ccccc1F 482756262 UKUWCBKWXANWLT-LJQANCHMSA-N 440.475 4.183 5 20 IIBD Cc1ccc(-c2ccc(Cl)cc2NC(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)o1 484180506 NISQRISQDYDGBL-UHFFFAOYSA-N 427.844 4.114 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3nnc(CC(F)(F)F)s3)cc2[N+](=O)[O-])C1 484979060 TYFUTMQAHCPSOB-GHMZBOCLSA-N 443.451 4.286 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)[C@@H](C)c1ccc(N2CCCS2(=O)=O)cc1 485837825 CKWHZEJZXGOFFZ-KRWDZBQOSA-N 447.557 4.115 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCc3c(Br)cccc3C2)cc1SC 486125130 VTSIKFLHEXZTKO-UHFFFAOYSA-N 437.315 4.286 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(Oc2ccccc2)nc1 486271569 QBBWFVZEDAWSIU-UHFFFAOYSA-N 439.493 4.451 5 20 IIBD Cc1ccnc(-c2n[nH]c([C@@H](C)Nc3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)n2)c1 486485891 IYMPFNFQYKCYIO-OAHLLOKOSA-N 431.456 4.230 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 486523903 DBQVVNUCZJZZIV-CQSZACIVSA-N 446.765 4.181 5 20 IIBD COc1ccc(CSCC(=O)N[C@H]2CCc3[nH]c4ccc(C)cc4c3C2)cc1[N+](=O)[O-] 491497830 ZJWBXGGCHINILK-INIZCTEOSA-N 439.537 4.300 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 492938620 VUYIFWNCROOWGY-LPHOPBHVSA-N 440.500 4.094 5 20 IIBD O=C(c1cccc(NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1)N1CCc2ccccc21 498666184 GWPZUKKLAALNKB-UHFFFAOYSA-N 441.447 4.460 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 498844290 FYRSXHSWTRERBY-MRXNPFEDSA-N 446.328 4.429 5 20 IIBD CCc1cc(=NC(=O)c2cc(OC)ccc2Br)c2cc([N+](=O)[O-])ccc2[nH]1 499417435 VOZSGTJQNSXXES-UHFFFAOYSA-N 430.258 4.151 5 20 IIBD COc1ccc(NC(=O)c2cccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c2)cn1 499582743 AFGZRKFVMPBILE-UHFFFAOYSA-N 432.392 4.249 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(Oc3cccc(F)c3)nc2)cc1OC 501744897 UZUQHXPFMLFVSK-UHFFFAOYSA-N 441.415 4.259 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)N2CCCCC[C@@H]2/C=C\c2ccccc2)cc1[N+](=O)[O-] 513838575 UEPIFRQYDNNOQF-NJBZPOFQSA-N 428.510 4.097 5 20 IIBD CC1CCN([C@H](CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C(C)C)CC1 515282673 KFKCMCMTWNURAN-GOSISDBHSA-N 431.455 4.022 5 20 IIBD O=C(Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1)c1cc2c(cc1[N+](=O)[O-])OCO2 516525228 DRIKIVLFNTUWMN-UHFFFAOYSA-N 438.346 4.397 5 20 IIBD COc1cc(CN(C)c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)ccc1OC(F)F 518461242 JVSPKGVZSZFAIS-UHFFFAOYSA-N 435.427 4.077 5 20 IIBD COc1cc(C(=O)N2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)cc([N+](=O)[O-])c1C 518611478 YMAFCLGEVVXTRG-SFHVURJKSA-N 440.374 4.024 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccccc1)c1noc(CCOc2ccc(Cl)cc2[N+](=O)[O-])n1 518835132 COIUXHLDGDPJSJ-LJQANCHMSA-N 444.875 4.380 5 20 IIBD COc1ccccc1[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccccc1 520798890 GDNXFAVYBZLNMO-HSZRJFAPSA-N 428.448 4.309 5 20 IIBD O=C(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)Nc1ccc([N+](=O)[O-])cc1Cl 521568568 HFERRJQVTRBPDZ-GOSISDBHSA-N 439.299 4.097 5 20 IIBD Cc1ccc(NC(=O)c2ccccc2)cc1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 521601595 DJYSAFNYWKKSMC-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)NCCCCc1ccc([N+](=O)[O-])cc1 523532271 AGNGODKYFHMZPG-SFHVURJKSA-N 433.917 4.190 5 20 IIBD O=C(CNC(=O)c1cccc(Cl)c1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 524214409 KXYLKOITSSSMKJ-UHFFFAOYSA-N 425.828 4.409 5 20 IIBD NC(=O)c1ccc(CN2CCC[C@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)c([N+](=O)[O-])c1 532705762 LSSUKFBSTGEYGW-SFHVURJKSA-N 425.876 4.074 5 20 IIBD C[C@H](c1nc(Cc2ccccc2)no1)[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534063576 XZZLWCVUVINNRJ-YSVRNHBLSA-N 438.465 4.234 5 20 IIBD C[C@H](CCO)C1(CNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CCC1 537260349 SXMSQJZQJLPHSK-GFCCVEGCSA-N 441.315 4.006 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCc3c(Br)ccc(F)c3C2)c1 537322549 DGAPRJOBHFUWFS-UHFFFAOYSA-N 437.265 4.159 5 20 IIBD C[C@H]1CC(C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)C[C@H](C)O1 538741915 WUDGMZIQFARSBK-IRXDYDNUSA-N 443.569 4.171 5 20 IIBD COc1cc(Br)c(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])cc1OC 539519531 YHAZCQLYSZAULJ-UHFFFAOYSA-N 439.262 4.091 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]1Cn1cnc2ccccc21 541453709 FDMHQVZGYLPKHH-OAHLLOKOSA-N 430.917 4.381 5 20 IIBD COc1cccc([C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)N(C)C)c1 543444280 KMZHOPTXDRNNDK-QGZVFWFLSA-N 426.395 4.047 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)NCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1F 543546945 YOQVIUFCAHDZOT-LLVKDONJSA-N 433.827 4.035 5 20 IIBD COCCCOc1cc(C)ccc1-c1noc(-c2ccn(-c3cccc([N+](=O)[O-])c3)n2)n1 546463392 ZTRASJIRQJTCJW-UHFFFAOYSA-N 435.440 4.221 5 20 IIBD Cc1cc(NC(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)ccc1[N+](=O)[O-] 547450238 DCKGAXBXRDJCCA-UHFFFAOYSA-N 437.525 4.376 5 20 IIBD COc1cc(C(=O)N[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)cc([N+](=O)[O-])c1OC 553288892 TWKTWVAXQFUNQA-QGZVFWFLSA-N 440.374 4.392 5 20 IIBD Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2O)c(Cl)c1 553537144 MJRWFDKZGVWDNV-UHFFFAOYSA-N 449.250 4.450 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@@H](Sc2cccc(Cl)c2)C1 554259670 JYGGDTOCCCQCMS-QGZVFWFLSA-N 428.901 4.441 5 20 IIBD CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 555365242 JXSRTYPPKOQJQF-FQEVSTJZSA-N 425.464 4.226 5 20 IIBD O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N(CCO)C1CCSCC1 563777589 IQAXHCQMAXNHPR-UHFFFAOYSA-N 449.960 4.190 5 20 IIBD O=C(NCc1cc(F)c(C(F)(F)F)cc1F)c1cc(O)nc2ccc([N+](=O)[O-])cc12 570312348 YXXCUJGDWXGDCY-UHFFFAOYSA-N 427.285 4.076 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCN([C@@H]4C[C@H]4C)C[C@H](C)C3)cc2[N+](=O)[O-])n1 572026860 KJXOHNPPSVBCMP-JJRVBVJISA-N 446.598 4.313 5 20 IIBD COc1cc(Cl)c(Br)cc1-c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 577836593 FRLXIEQMEDQSAG-UHFFFAOYSA-N 425.626 4.319 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCc2nc3cc(F)ccc3o2)cc1[N+](=O)[O-])c1ccccn1 580247314 HILBQTMARHMKPZ-CYBMUJFWSA-N 435.415 4.373 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]1c1cccc(Br)c1 604043408 QTIIBDYDJNDCDW-INIZCTEOSA-N 425.304 4.192 5 20 IIBD COc1cc([C@H](C)NC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)ccc1OCC(C)C 604105034 KASMVNCPXFAIDA-HNNXBMFYSA-N 431.489 4.207 5 20 IIBD CCOc1cc2c(cc1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])O[C@@H](C)C2 604445360 YRFVSSLRXIFRRK-STQMWFEESA-N 434.876 4.054 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 604521541 PUQPINQGGLJCQW-SGXKBVARSA-N 427.501 4.030 5 20 IIBD O=C(Nc1ccccc1Br)C1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 608789085 QCOLVPLJKWYDNH-UHFFFAOYSA-N 447.289 4.240 5 20 IIBD CN1C(=O)CCc2cc(NC(=O)CSc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc21 609186019 TZAVVXBWHQJKGI-UHFFFAOYSA-N 439.415 4.253 5 20 IIBD COc1cc(CN[C@@H]2CCN(C3CCCC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 609287722 NAPWVWGVBGJDPM-HXUWFJFHSA-N 425.529 4.289 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cccc(C[S@](=O)Cc2ccccc2)c1 609696975 QEEYKQIKWHNFAC-WJOKGBTCSA-N 437.521 4.484 5 20 IIBD Cc1cccc([C@H](CC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)NC(N)=O)c1 609755673 OMJQTSPQXJQHFJ-NRFANRHFSA-N 434.452 4.434 5 20 IIBD COC(=O)[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)Cc1ccc2ccccc2c1 610065062 GHXRWGOQEZOBHA-FQEVSTJZSA-N 434.492 4.174 5 20 IIBD COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 610159772 KQRRGTNALKGILK-CQSZACIVSA-N 446.887 4.123 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N(Cc3ccccc3)C[C@@H](C)O)cc2[N+](=O)[O-])C1 610163783 MCJRSQMMCLAPIZ-CEXWTWQISA-N 425.529 4.100 5 20 IIBD CCC[C@H](C)N(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1nc(C)c(C(=O)OCC)s1 610230493 CLVWSIJFEUCNBX-NSHDSACASA-N 449.485 4.101 5 20 IIBD COc1ccc([C@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c2ccccc2)cc1 611199276 PJYNDYWSCWGPPA-HSZRJFAPSA-N 428.448 4.309 5 20 IIBD O=[N+]([O-])c1ccc2ncnc(NC[C@@H](c3ccc(C(F)(F)F)cc3)N3CCOCC3)c2c1 611711102 RTBBOBCGIPWXGP-IBGZPJMESA-N 447.417 4.042 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1F)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 618964907 MLSYSQFAFARCMK-VIFPVBQESA-N 443.378 4.219 5 20 IIBD Cn1c(COC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)nnc1C1CC1 727181366 XBWIGPVKXZYHQA-UHFFFAOYSA-N 441.875 4.223 5 20 IIBD Cc1cc(C(=O)O[C@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)c(N)c([N+](=O)[O-])c1 727901061 QABXMDDTEOLGMJ-KRWDZBQOSA-N 439.390 4.324 5 20 IIBD CC(NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)(c1ccccc1)c1ccccc1 728848488 QRTMMMYAODQGEM-KRWDZBQOSA-N 447.466 4.167 5 20 IIBD O=C(CN1CCC([C@H](O)c2ccc(Cl)cc2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 731484638 RTQCQKCYWYKNTB-HXUWFJFHSA-N 438.311 4.286 5 20 IIBD CCOC(=O)C1=C(C)N(CC(C)C)C(=O)N[C@@H]1c1csc(-c2cccc([N+](=O)[O-])c2)n1 733122128 VFEZBJLGXPETMW-GOSISDBHSA-N 444.513 4.278 5 20 IIBD O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccccc1SC[C@@H](O)c1ccccc1 736538193 UHAAWUBPBPEKBZ-GOSISDBHSA-N 448.497 4.360 5 20 IIBD Cc1ccc(-c2nc(=S)n(CN3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)[nH]2)cc1 743390959 QLPXBVKNJFLPKO-UHFFFAOYSA-N 425.514 4.325 5 20 IIBD C[C@@H](CC(=O)c1ccccc1F)C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 745488634 JZGSSGPFYAGXHY-RYUDHWBXSA-N 436.823 4.167 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)Cc1csc(NC(=O)C(C)(C)C)n1 745512704 MMPPBZOSCQMCHA-UHFFFAOYSA-N 435.502 4.109 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1C[C@@H]1c1cccc(Br)c1 747519532 FMFMRNLZEOMWFB-HZPDHXFCSA-N 444.241 4.254 5 20 IIBD Cc1ccnn1-c1ccc(C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)cc1 747572692 IYIHCCGWTMIZOC-UHFFFAOYSA-N 446.467 4.190 5 20 IIBD C[C@@H](OC(=O)Cc1cccc(OC(F)(F)F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 748346725 OFQDMFFACMZRRE-SNVBAGLBSA-N 446.765 4.260 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(Oc3ccccc3)o2)c([N+](=O)[O-])c1 748910265 OFSRWTULAQEUES-ZDUSSCGKSA-N 426.381 4.173 5 20 IIBD COc1cc(C2(C(=O)OCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])CCC2)ccc1C 750175319 GMXVRWCHBBFTFD-UHFFFAOYSA-N 432.860 4.169 5 20 IIBD C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 750915778 YSGYPQQEQYTMHV-RFAUZJTJSA-N 445.672 4.392 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccc(NC(=O)NC2CC2)cc1 751086169 FOJAHOIVESSDES-NSHDSACASA-N 447.289 4.132 5 20 IIBD CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 752022807 DYIRTLYRXQVOLG-UHFFFAOYSA-N 449.548 4.296 5 20 IIBD CC(C)([C@@H](OC(=O)c1ccc2nc(O)oc2c1)c1ccc(Br)cc1)[N+](=O)[O-] 753472095 LWWPUAIEUUFHDD-HNNXBMFYSA-N 435.230 4.249 5 20 IIBD O=C(COC(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccccc1[N+](=O)[O-] 754310701 OBWLGGGIXZEDLN-UHFFFAOYSA-N 439.251 4.437 5 20 IIBD O=C(NCc1ccnc(OC2CCCC2)c1)c1cc(F)cc([N+](=O)[O-])c1Br 754981572 PTIFLDMEJGQDOY-UHFFFAOYSA-N 438.253 4.143 5 20 IIBD CC(C)(C)NC(=O)c1ccccc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754993240 IZMBBEJVSVYLTH-UHFFFAOYSA-N 438.253 4.277 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC[C@H]1C[C@H](O)c1cccs1 755016209 IBLIEINZJOZLEI-FZMZJTMJSA-N 443.294 4.286 5 20 IIBD CCN(CC)[C@H](CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccco1 755024022 DMRZRJCKYNSOTM-OAHLLOKOSA-N 425.283 4.155 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)Oc2ccc(C)c([N+](=O)[O-])c2)CC1 755251148 RPWRLZOXBWHXIA-UHFFFAOYSA-N 432.860 4.023 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H](C)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 755673153 MGMUWYFZRMGIPX-ZDUSSCGKSA-N 428.441 4.016 5 20 IIBD CC(C)[C@H](NC(=O)OC(C)(C)C)c1noc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 762031754 PDAUXTOOKKFBIL-KRWDZBQOSA-N 431.493 4.467 5 20 IIBD CC(C)c1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 762047458 NYUVVYHZYXMEJS-NSHDSACASA-N 425.363 4.316 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CCC(O)(c2ccccc2)CC1 768589675 VIWMHPMYWJOLCR-UHFFFAOYSA-N 439.693 4.135 5 20 IIBD CCN(CC1CCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1)C(=O)OC(C)(C)C 769546658 YBIUKFFBPZSWFK-UHFFFAOYSA-N 437.537 4.081 5 20 IIBD COc1cccc(C(=O)O[C@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)c1[N+](=O)[O-] 769601416 CDXARZDYAUYSMO-OAHLLOKOSA-N 426.425 4.091 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCCC[C@@H]1c1ccc(F)cc1F 770692205 FZPPVJKPKCFFFW-OAQYLSRUSA-N 431.439 4.077 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(CCN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 774229054 YUKDRVMVWFWOIV-OALUTQOASA-N 429.521 4.454 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])c1 775103955 RWCDSHMHUBABJG-SECBINFHSA-N 446.765 4.460 5 20 IIBD CC[C@@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 776579703 OEUSLUYTBKMFJH-AUUYWEPGSA-N 439.434 4.386 5 20 IIBD Cc1ccc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc1NC(=O)c1ccncc1 777968553 MRYULRGMOSGNJE-UHFFFAOYSA-N 426.379 4.281 5 20 IIBD O=C(N1CCO[C@H](c2ccccc2Br)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 778252346 AHWABTZCSMWZHT-INIZCTEOSA-N 441.228 4.049 5 20 IIBD O=C(COC(=O)c1csc(Cc2cccc(F)c2)n1)Nc1cc(Cl)ccc1[N+](=O)[O-] 780182957 BFXCKPVMDCWNTN-UHFFFAOYSA-N 449.847 4.230 5 20 IIBD C[C@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@H]1CNC(=O)OC(C)(C)C 780851925 KNETZTYOGFJHED-AOMKIAJQSA-N 449.551 4.447 5 20 IIBD O=C(OCc1cn(-c2ccc(Cl)cc2)nn1)c1ccc2[nH]c3ccccc3c(=O)c2c1 781505640 ZIBLKPNWIJZGLM-UHFFFAOYSA-N 430.851 4.272 5 20 IIBD Cc1ccc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1NC(=O)C(C)(C)C 781634966 BWBHQJXRUCEHNY-UHFFFAOYSA-N 428.445 4.367 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 784774374 GQYMVAMBPRSCCE-UHFFFAOYSA-N 428.242 4.396 5 20 IIBD CCSc1cccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2Br)c1 784827581 VQJDUJQKSBNCPA-UHFFFAOYSA-N 438.303 4.355 5 20 IIBD C[C@@H](CNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 785624961 NLWOWNXGFNPRBC-LBPRGKRZSA-N 425.363 4.374 5 20 IIBD COC1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N)cc2C(F)(F)F)CC1 786882575 JXNWUEXHHXIGJR-UHFFFAOYSA-N 438.406 4.063 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 787607232 VTCONGDVWOUVDF-AWEZNQCLSA-N 431.411 4.019 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)cc1[N+](=O)[O-] 789068821 RXXYNVZDSMSAAJ-HOTGVXAUSA-N 426.473 4.323 5 20 IIBD O=C(Nc1nc([C@H]2C[C@H]3CC[C@H]2C3)cs1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 791369504 MYIRQTJFUUFXHL-DZKIICNBSA-N 428.514 4.044 5 20 IIBD CC(=O)CCc1ccc(OC[C@H](O)COc2cc(Cl)c(Cl)cc2[N+](=O)[O-])cc1 795550339 BDQXAKXPMUZLDR-AWEZNQCLSA-N 428.268 4.242 5 20 IIBD COc1ccc(CNc2cnc(Br)cn2)cc1OCc1ccc([N+](=O)[O-])cc1 795797898 XURKHGMYDAZLAS-UHFFFAOYSA-N 445.273 4.347 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1ccccc1Br)c1cc([N+](=O)[O-])ccc1Br 797576030 QZQSVXBMSBQMOO-XHDPSFHLSA-N 440.091 4.406 5 20 IIBD CCOC(=O)N[C@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 799559491 CVLRSNBMBUONQP-HNNXBMFYSA-N 429.498 4.097 5 20 IIBD O=C(CN(Cc1cccnc1)Cc1ccc([N+](=O)[O-])c(F)c1)Nc1ccc(Cl)cc1 801523246 MREFEZQWMNRYTA-UHFFFAOYSA-N 428.851 4.423 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 801972985 HCMOZBLHQODPPE-OAHLLOKOSA-N 444.536 4.003 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N(Cc1ccccc1Cl)CC1CC1 804327494 QFVFPFDRMBBQOY-UHFFFAOYSA-N 429.904 4.137 5 20 IIBD CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)Cc3ccccc3[N+](=O)[O-])cccc21 805307513 PAFQYMAKKRPPHV-UHFFFAOYSA-N 425.485 4.141 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@@H]2COc3ccccc3[C@@H]2O)cc1 808453867 KPXNFYIGBMLERN-RDGATRHJSA-N 442.475 4.032 5 20 IIBD COc1cc(Cl)c(NC(=O)c2cc([N+](=O)[O-])ccc2I)cc1C 809357406 WRWNBUXZVHREIX-UHFFFAOYSA-N 446.628 4.422 5 20 IIBD C[C@H](OC(=O)[C@@H]1CCCCCC(=O)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 811384552 FHABICLYJFWYHA-NWDGAFQWSA-N 430.379 4.023 5 20 IIBD CC(C)OCc1cc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])ccc1O 811594010 JMLGJROSLMWDOY-UHFFFAOYSA-N 428.363 4.419 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](C2CCN(c3ncnc4sc([N+](=O)[O-])cc34)CC2)C1 811861111 UIKPXTQGJGMHEV-AWEZNQCLSA-N 433.534 4.073 5 20 IIBD COC(=O)COc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1Cl 813075072 USUHYLQZRSDFKC-UHFFFAOYSA-N 433.631 4.359 5 20 IIBD Cc1cc(Cl)c(C(=O)OCC(=O)NCc2ccc(F)cc2C(F)(F)F)cc1[N+](=O)[O-] 815406895 ZKKIDGGCDLSSAU-UHFFFAOYSA-N 448.756 4.188 5 20 IIBD C[C@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)Nc1cccc(N2CCCC2=O)c1 827004862 ARNZTVLIVPUOQI-LBPRGKRZSA-N 442.522 4.451 5 20 IIBD Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)Cn1c2ccccc2c(=O)c2ccccc21 836793200 VJNZKDUAUUBWKE-BKMJKUGQSA-N 437.543 4.298 5 20 IIBD CCCCN(C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)[C@H](C)c1ccc(C)o1 914519537 OYMAFVITFKUHBE-CVEARBPZSA-N 431.464 4.378 5 20 IIBD CCOc1ccc(-c2nc(C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)cs2)cc1 914990368 ALFONQKBHJBCSH-ZDUSSCGKSA-N 441.465 4.301 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)NCc2cccnc2Oc2cccc(F)c2)cc1[N+](=O)[O-] 915294463 IHJHCHLPCSSKBR-UHFFFAOYSA-N 426.360 4.068 5 20 IIBD Cc1nccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)n1 917811543 UCDAIVQGKPBDMM-UHFFFAOYSA-N 445.523 4.082 5 20 IIBD CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2csc([N+](=O)[O-])c2)NC(=O)N1CC1CC1 918076177 MAUSZZJOBJZLLI-GOSISDBHSA-N 430.461 4.184 5 20 IIBD CCN(Cc1cccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1)C(=O)OC(C)(C)C 918106170 LYAFTJNKBGGBFD-UHFFFAOYSA-N 443.456 4.333 5 20 IIBD Cc1c(C(=O)N[C@H](C)COc2ccccc2C(F)(F)F)cc([N+](=O)[O-])cc1[N+](=O)[O-] 919830981 ZBIZXNMKSYBNOU-SNVBAGLBSA-N 427.335 4.028 5 20 IIBD Cc1nn(C)c(C(=O)Oc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1[N+](=O)[O-] 919976702 UAZCHBWFBKEGAJ-UHFFFAOYSA-N 436.468 4.406 5 20 IIBD O=C(CCCOc1ccc(I)cc1)Nc1ccc(F)c([N+](=O)[O-])c1 919985986 YUJIJOLURZKJLE-UHFFFAOYSA-N 444.200 4.136 5 20 IIBD C[C@H](OC(=O)c1cc2sc(N(C)C)nc2s1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 920259791 MVZWUQLCVBGHEI-VIFPVBQESA-N 445.482 4.300 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2 921279630 VPHZMLKQEGMCBB-UHFFFAOYSA-N 433.420 4.179 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3nc(CN4CCCCC4)[nH]c3c2)c1 1318210273 NRTYVVLAOBKMPL-UHFFFAOYSA-N 425.514 4.431 5 20 IIBD CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)n2)cc1 1319601299 FIJAPNJSUHNMJL-UHFFFAOYSA-N 430.873 4.260 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1cccc(Cl)c1 1518425392 RDHSOBJTBPUCFV-SNVBAGLBSA-N 447.694 4.106 5 20 IIBD CC1(C(=O)N2CCCC3(CCN(C(=O)CCc4cccc([N+](=O)[O-])c4)CC3)C2)CCCC1 1804982750 SISBYZYYCNTADX-UHFFFAOYSA-N 441.572 4.339 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)CC2CCC2)[nH]n1 1821285930 MLCPMWRCLBNTHF-GOSISDBHSA-N 443.479 4.262 5 20 IIBD CC(C)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])n[nH]1 1823503426 LSMQCSXEPBGMKP-YVNCXZRQSA-N 439.516 4.460 5 20 IIBD CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)cc1 1829834623 QOEBEGXTFDPYNY-OAQYLSRUSA-N 438.528 4.032 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OC(C)C 9172760 YNUCCDQKQPEDBN-GFCCVEGCSA-N 436.848 4.228 5 20 IIBD Cc1ccccc1-n1cnnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 10245433 KLYLREKMIBMWSF-UHFFFAOYSA-N 437.403 4.234 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3ccccc3C(=O)N3CCCC3)cc2[N+](=O)[O-])CC1 15609617 KIKCDGYMNDRBBU-UHFFFAOYSA-N 436.512 4.319 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1cccc(Br)c1)c1ccccc1[N+](=O)[O-] 16144581 BORMASKVDVCTSW-MRXNPFEDSA-N 435.274 4.170 5 20 IIBD O=C(OCc1nc(-c2cccc(Br)c2)no1)c1cc([N+](=O)[O-])ccc1Cl 18172404 ZTXOZKQQAGLDBI-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD NC(=O)Cc1ccc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1 32046103 BBLQYNSUJXHMMO-UHFFFAOYSA-N 425.828 4.321 5 20 IIBD Cc1c(NC(=O)[C@H](C)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] 60482689 KAVBPVWBMLSHDI-HNNXBMFYSA-N 429.904 4.479 5 20 IIBD O=C(c1cccn(Cc2ccccc2)c1=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 64785242 GGBLIMRHLFZVFT-UHFFFAOYSA-N 445.397 4.010 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H]2CCC(C)(C)c3ccccc32)ccc1[N+](=O)[O-] 72080493 WCFRDRAEMKTHSP-IFMALSPDSA-N 435.524 4.437 5 20 IIBD C[C@H](Nc1ccc(CCN2CCSCC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 109477549 WWNNMWOBUCJNKE-HNNXBMFYSA-N 448.976 4.279 5 20 IIBD C[C@H](OC(=O)c1ccccc1Oc1cccnc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 109711284 ZHDGTQOYLNADQS-ZDUSSCGKSA-N 425.372 4.105 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc([C@@H](C)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 111194202 KIBQNQQACRFAAW-CYBMUJFWSA-N 434.543 4.408 5 20 IIBD Cc1c(C(=O)Nc2ccccc2COc2ccccc2)nnn1-c1cccc([N+](=O)[O-])c1 195534747 YSFQPYKTATVVPT-UHFFFAOYSA-N 429.436 4.315 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3[C@@H](C)CCC[C@H]3C)cc2)cc1[N+](=O)[O-] 247999666 SACQPMVWORCSLF-IYBDPMFKSA-N 431.514 4.107 5 20 IIBD Cc1occc1C(=O)Nc1cc(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)ccc1F 302617819 GGZHXYFYPXOSNI-UHFFFAOYSA-N 433.417 4.035 5 20 IIBD Cc1noc(C[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c2ccccc2)n1 429517363 RJHTWPBMLWACLR-KRWDZBQOSA-N 435.465 4.124 5 20 IIBD C[C@H]1CN(Cc2ccccc2NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 431087327 VZQIXKAJODQOBS-IRXDYDNUSA-N 426.517 4.261 5 20 IIBD C[C@H]1CN(Cc2ccccc2NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H](C)O1 432649397 PWOHFBQLWFCKNJ-OKILXGFUSA-N 448.317 4.219 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCCN(Cc2ccccc2)CC1 435949623 MRZFUNMNLPBYMC-UHFFFAOYSA-N 447.485 4.308 5 20 IIBD O=C(NC[C@H]1CCN(CCc2ccccc2)C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 436348845 NRXQBRJVVCQAJF-LJQANCHMSA-N 443.522 4.115 5 20 IIBD Cc1ncc(-c2ccccc2)cc1NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 437066129 QDXVKGMJSAHZSE-UHFFFAOYSA-N 430.464 4.095 5 20 IIBD CO[C@H](C)c1nc(CN2CCCN(Cc3cc([N+](=O)[O-])ccc3OC(C)C)CC2)cs1 437524238 FFKGTTFQNYDXCW-QGZVFWFLSA-N 448.589 4.254 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 438537440 SUWNWSZBPSXRAC-UHFFFAOYSA-N 445.884 4.257 5 20 IIBD O=[N+]([O-])c1cnn(C[C@@H](O)CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)c1 438793650 QRWCNHGNBOLRPV-GFCCVEGCSA-N 433.540 4.125 5 20 IIBD CCCN(C(=O)CSc1nnc(-c2cccs2)n1CC)c1cccc([N+](=O)[O-])c1 441449280 MWOPPERLVJZZKP-UHFFFAOYSA-N 431.543 4.470 5 20 IIBD CCOc1cc(NC(=O)N(CCO)[C@H]2CCCc3ccccc32)c([N+](=O)[O-])cc1OCC 444039369 SHLZPQGFWIFSBE-IBGZPJMESA-N 443.500 4.296 5 20 IIBD O=C(Nc1cc([C@@H]2C[C@H]3CC[C@H]2C3)[nH]n1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444090046 XEMXTYNCQNELRG-SLEUVZQESA-N 434.446 4.839 5 20 IIBD C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc(OC(F)F)cc1 446964906 JPIUGQLTMICNGI-VIFPVBQESA-N 440.346 4.255 5 20 IIBD C[C@@H](c1ccccc1Cl)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 447018319 SNHNTJUATRRPBL-JTQLQIEISA-N 433.711 4.392 5 20 IIBD CCN(C(=O)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)ccc1Cl)C(C)C 447268448 UZMMAZVNDMHCAC-UHFFFAOYSA-N 439.921 4.228 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N(Cc3cccs3)C3CC3)n2C[C@H]2CCOC2)c1 461584332 YPTSGUFIHGWCIT-OAHLLOKOSA-N 425.514 4.120 5 20 IIBD Cc1cccn2cc(-c3ccc(NC(=O)Cc4cc5c(cc4[N+](=O)[O-])OCCO5)cc3)nc12 465021785 XGLLAXSKKQOIPM-UHFFFAOYSA-N 444.447 4.170 5 20 IIBD CCOc1cc(NC(=O)NCc2coc(-c3ccccc3)n2)c([N+](=O)[O-])cc1OCC 466068685 YTHCARLIDSUOGL-UHFFFAOYSA-N 426.429 4.369 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccc(-c3ccccc3)nn2)cc1[N+](=O)[O-])c1ccccn1 466645244 QGTYRENSFBJYJS-INIZCTEOSA-N 440.463 4.872 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2cccc(N3CCC3=O)c2)cc1[N+](=O)[O-])c1ccccn1 468698250 HIGUUPLSPVDFPB-OAHLLOKOSA-N 431.452 4.152 5 20 IIBD CC[C@H](Cc1ccccc1)N(CC)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 469469442 VUKXDVPUOOMFPI-GOSISDBHSA-N 439.541 4.358 5 20 IIBD C[C@H](Cc1ccccc1Br)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 470743271 CEIYQRBBPCGYBE-SNVBAGLBSA-N 442.107 4.481 5 20 IIBD CC[C@H](Nc1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-])C1CCOCC1 470872084 IKIMVAPAXPVCCB-KVWWFHCMSA-N 439.578 4.069 5 20 IIBD COCC(C)(C)N(Cc1ccccc1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br 472472514 FAWUEBGYCZALQB-UHFFFAOYSA-N 435.318 4.354 5 20 IIBD CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 475212235 MINAPFGITMZILE-STQMWFEESA-N 430.427 4.162 5 20 IIBD Cn1cnc([N+](=O)[O-])c1CN1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 475751602 YKWKSNCIELHDOH-UHFFFAOYSA-N 431.949 4.028 5 20 IIBD Cc1nnc(-c2cc(F)ccc2NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])o1 475830568 KGHAAMCPYKNZLT-UHFFFAOYSA-N 447.231 4.200 5 20 IIBD COc1ccc(CSCC(=O)Nc2c(-c3ccco3)nc3ccccn23)cc1[N+](=O)[O-] 476399649 UXPUEOXETCJWHF-UHFFFAOYSA-N 438.465 4.383 5 20 IIBD COC(=O)[C@@H]1CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C[C@@H]1C 476753069 HKWJBNQXDIHDCS-WMLDXEAASA-N 445.903 4.132 5 20 IIBD O=C(Cn1cc(Br)c(=O)c([N+](=O)[O-])c1)c1ccc(Oc2ccccc2)cc1 477430079 FIBZSSXFGDYUBK-UHFFFAOYSA-N 429.226 4.194 5 20 IIBD CCCCn1ccnc1-c1cccc(NC(=O)[C@H](CC)Nc2c([N+](=O)[O-])c(C)nn2C)c1 478627497 VCQKEONMZLSGNV-SFHVURJKSA-N 439.520 4.130 5 20 IIBD Cc1c(CNC(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)cccc1[N+](=O)[O-] 480060882 LTNVCHLYBIPMCV-UHFFFAOYSA-N 436.443 4.294 5 20 IIBD O=C(Nc1cc(Cl)ccc1N1CCOCC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 480381970 SYPVFJLVDAAZNU-UHFFFAOYSA-N 430.892 4.281 5 20 IIBD CCOc1cc(CN(C)S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])ccc1OC(F)F 481062279 RWWVSCTZECZINH-UHFFFAOYSA-N 444.456 4.032 5 20 IIBD CC(C)c1ccc(C(=O)N(CCO)Cc2ccc(Br)s2)cc1[N+](=O)[O-] 483022947 VVZCCMCDJROWBZ-UHFFFAOYSA-N 427.320 4.177 5 20 IIBD CCOc1cc(Br)c(F)cc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 485177405 NXQKRCSOJIFYSR-UHFFFAOYSA-N 449.236 4.333 5 20 IIBD COc1ccc(CCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1Br 486013745 GPVYANULARHBRA-UHFFFAOYSA-N 433.302 4.490 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)cc1SC 486017058 OAIYRKZPVWPDFZ-CQSZACIVSA-N 435.571 4.029 5 20 IIBD CCN(CC)Cc1cccc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 486208002 PWAJTOMCWUGUMP-UHFFFAOYSA-N 427.548 4.313 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCc1cccc(NC(=O)C2CCCC2)c1 486272017 ABQZIUKZEUXLHD-UHFFFAOYSA-N 444.919 4.419 5 20 IIBD O=[N+]([O-])c1c(NCc2ccc(Br)cc2N2CCOCC2)ccc2ncccc12 487211317 XQOFRLYETKXIMG-UHFFFAOYSA-N 443.301 4.354 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CC)[C@@H]1CN(Cc2ccccc2)CCO1 489183085 ZUCXXNLXTAGBRG-RTWAWAEBSA-N 443.569 4.116 5 20 IIBD CSc1ccc(-c2nsc(NC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)n2)cc1 489938711 YMHNEAAXRQYBAB-UHFFFAOYSA-N 438.494 4.273 5 20 IIBD O=C(NCC[C@@H]1C(=O)Nc2ccccc21)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 491129830 HLNLPLJYVUMEMJ-IBGZPJMESA-N 430.464 4.063 5 20 IIBD CCOc1cc(CNc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)ccc1[N+](=O)[O-] 492724854 UYGWTDMZVHWAPA-UHFFFAOYSA-N 441.509 4.431 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2cccc(OCCN(C)C)c2)cc1[N+](=O)[O-])c1ccccn1 500103939 FHTOAESIXUUINA-KRWDZBQOSA-N 449.511 4.356 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N(CCO)Cc1ccc(Cl)c(Cl)c1 504047997 GEOQKLFIJRYMIH-UHFFFAOYSA-N 448.100 4.299 5 20 IIBD O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 505280729 KVMVMCNXURUJIQ-UHFFFAOYSA-N 441.753 4.022 5 20 IIBD CCCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1C)C(=O)Nc1cccc(N2CCCC2)c1 505537314 YRMZSULGDKUNJT-OAQYLSRUSA-N 438.528 4.431 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cn2cc(Br)ccc2n1 505792941 NQHHIMIQOOOEPV-UHFFFAOYSA-N 449.330 4.437 5 20 IIBD CC(C)Cc1ccc([C@@H](NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C2CC2)cc1 506262419 DQUSKNYIZPGWRF-JOCHJYFZSA-N 441.553 4.252 5 20 IIBD O=C(CC[S@@](=O)Cc1ccc(Br)cc1Cl)Nc1ccccc1[N+](=O)[O-] 507708670 JLVDYEPRMQZYLM-RUZDIDTESA-N 445.722 4.288 5 20 IIBD COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)CSc1ccc([N+](=O)[O-])cc1 508463420 AJOPDROCCWJCDU-QGZVFWFLSA-N 443.308 4.366 5 20 IIBD COc1cc(C(=O)NCC[C@@H]2C[C@H]3CC[C@H]2C3)c([N+](=O)[O-])cc1OCc1cscn1 509917956 WBOVBEHWYHOFSV-SOUVJXGZSA-N 431.514 4.195 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])Cc1nc(Cc2cccc(Br)c2)no1 511093658 DQHMWVDNLFKHNJ-UHFFFAOYSA-N 431.290 4.006 5 20 IIBD CCOc1cc(NC(=O)N2CC[C@H](n3ncc4ccccc43)C2)c([N+](=O)[O-])cc1OCC 512907766 URSSGTLYYPMQED-INIZCTEOSA-N 439.472 4.221 5 20 IIBD CC(C)[C@H](CN[C@@H](c1cccc([N+](=O)[O-])c1)c1nccn1C)N1CCc2ccccc2C1 513665720 HGPLFFHQOWKQJN-ZEQRLZLVSA-N 433.556 4.090 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)cc1[N+](=O)[O-])c1ccccn1 518355150 TXLZRYZDMCJGIF-GFCCVEGCSA-N 439.859 4.168 5 20 IIBD CCNc1ccc(C(=O)Nc2cc(Br)ccc2-n2cccn2)cc1[N+](=O)[O-] 518731057 OEXUSMYVJGEPGK-UHFFFAOYSA-N 430.262 4.227 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@H](C)C[C@H]3CCCO3)c([N+](=O)[O-])c2)c(C)c1 522622520 XWBGMFNYKCLTTD-IAGOWNOFSA-N 433.530 4.382 5 20 IIBD O=C(Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1)c1ccn(-c2ccccc2)n1 522817479 AXUKKUGZJZIDKD-UHFFFAOYSA-N 440.419 4.479 5 20 IIBD Cc1ccccc1Nc1nc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cs1 532918705 LLIYRZQMLXHXTB-UHFFFAOYSA-N 443.554 4.123 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 537558049 QUFAHQCEXIGTGW-BBATYDOGSA-N 442.463 4.348 5 20 IIBD CCOc1ccc(-n2c(Sc3ccc([N+](=O)[O-])c(C)c3)nnc2-c2cnccn2)cc1 537826937 ABYJVWDZWOYEAE-UHFFFAOYSA-N 434.481 4.491 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N(Cc2cccc(-c3cccnc3)c2)C2CC2)s1 538765513 WOQZCAHOWFVYDW-UHFFFAOYSA-N 429.523 4.291 5 20 IIBD COc1ccc2ccccc2c1-c1cc(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)on1 539758174 DZTLAGRHKPSGMS-UHFFFAOYSA-N 444.403 4.277 5 20 IIBD CC1CCN(c2ccc(CNC(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])cn2)CC1 540514239 VVSGLEAILKCTIN-UHFFFAOYSA-N 431.496 4.218 5 20 IIBD C[C@@H](C(=O)N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1)c1ccc([N+](=O)[O-])cc1F 543489082 NFSKOBNLGALHFK-HOYKHHGWSA-N 425.504 4.352 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2cc(OCC(F)F)ccn2)no1 545844695 OWHROJSSBNWRDL-SECBINFHSA-N 426.763 4.477 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCO[C@H](c2ccc(F)cc2F)C1 547987025 GCMBTQULRLOMGQ-SFHVURJKSA-N 431.420 4.210 5 20 IIBD O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1 549705042 DFKQLRRGDJASHT-UHFFFAOYSA-N 430.386 4.124 5 20 IIBD CC(C)CC[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 551417323 ZSMQPGLSBNXUIZ-WBMJQRKESA-N 426.311 4.017 5 20 IIBD COc1cccc(OC(F)(F)F)c1CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] 553728484 AWFLANHYRDGMTM-UHFFFAOYSA-N 425.363 4.006 5 20 IIBD CC(C)c1cc(Br)ccc1NC(=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 555299355 DECSLWOXQYEUCS-UHFFFAOYSA-N 448.317 4.120 5 20 IIBD CCC[C@]1(CO)CCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 558183276 XQDQSBORMCULSJ-UNMCSNQZSA-N 431.920 4.413 5 20 IIBD O=[N+]([O-])c1ccc2nc(NCC3(c4ccc(Cl)cc4Cl)CCOCC3)nc(O)c2c1 561153304 CUNRVUJWZDDRGH-UHFFFAOYSA-N 449.294 4.711 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 562232277 KFLGSCXQWJBBIG-UHFFFAOYSA-N 444.366 4.048 5 20 IIBD COc1cc(C(=O)N2CCC=C(c3ccco3)C2)c([N+](=O)[O-])cc1OCc1cscn1 568611032 FNYWLPPKZNURSX-UHFFFAOYSA-N 441.465 4.161 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(-c3nc(-c4cn(Cc5ccccc5)nn4)no3)cs2)c1 577659012 LBCJMJASIXOORF-UHFFFAOYSA-N 431.437 4.075 5 20 IIBD O=[N+]([O-])c1cc2c(O)ncnc2cc1N1CCC(Oc2cccc(Br)c2)CC1 577908925 RPJXPDRKFVCPRD-UHFFFAOYSA-N 445.273 4.054 5 20 IIBD CCCCc1ccc(-n2nnnc2SCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 603680241 OHKDUDQVIYMQAF-UHFFFAOYSA-N 437.485 4.255 5 20 IIBD CCOc1ccc(NC(=O)CN[C@@H](c2ccccc2)c2ccc(OC)cc2)c([N+](=O)[O-])c1 603901170 AHJQACINRBJKJZ-DEOSSOPVSA-N 435.480 4.320 5 20 IIBD CC[C@@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 604020260 WYIWURFBZDHCBF-OAHLLOKOSA-N 440.374 4.188 5 20 IIBD COC(=O)c1sc2ccccc2c1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 609119432 CLDFDVPYYSPBJT-LLVKDONJSA-N 448.884 4.333 5 20 IIBD CCCS(=O)(=O)Nc1cccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1C 609210895 RMYXCXBSJHVLEU-UHFFFAOYSA-N 448.545 4.497 5 20 IIBD CCCn1c(S[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)nnc1-c1cccc(C)c1 609449984 MDHQYFDPLSZGHK-LJQANCHMSA-N 437.525 4.469 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)C(=O)Nc1ccccc1 609796880 QZFARVPSWAZCKT-UHFFFAOYSA-N 443.818 4.435 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(c2ncnc3cc(F)c(F)cc23)CC1 609849297 ISOOBSXNWJXRMV-UHFFFAOYSA-N 439.344 4.162 5 20 IIBD O=C(Cc1ccccc1)N1CCC[C@@H](C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)C1 609859285 WWFYZWXWJXAVED-HXUWFJFHSA-N 435.524 4.352 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])cc(Cl)c1=O)Nc1ccc(Oc2ccccc2Cl)cc1 609905462 ORNDPJIYEPKQHE-UHFFFAOYSA-N 434.235 4.494 5 20 IIBD CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)c1ccc(F)cc1F 609977330 ZFHNLQXKOOPZKK-HNNXBMFYSA-N 446.191 4.359 5 20 IIBD CC[C@@H](NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(F)cc1F 610006682 YFINBHBBOBMRIV-CYBMUJFWSA-N 435.246 4.065 5 20 IIBD CS(=O)(=O)c1ccc(F)c(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)c1 611203656 GOGVOQKZIVLUDY-UHFFFAOYSA-N 438.502 4.424 5 20 IIBD CCOc1ccc([C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1OCC 725817769 ZOVWFQOMOVLPDB-GFCCVEGCSA-N 428.894 4.085 5 20 IIBD O=C(Cc1ccccc1O)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 725939264 SVMQFADINLRGGQ-OAQYLSRUSA-N 440.839 4.420 5 20 IIBD COc1cc(C(=O)OCC(=O)N[C@@H](c2ccccc2)C2CCCCC2)ccc1[N+](=O)[O-] 725946595 WUOQWIAHMDOSPI-QFIPXVFZSA-N 426.469 4.198 5 20 IIBD CC(C)(C)c1ccc([C@@H]2CCCN2CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 726586395 YNKWPMMDKCOUCI-NRFANRHFSA-N 436.512 4.456 5 20 IIBD Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 726606473 HBHHNTIFPOISKM-UHFFFAOYSA-N 448.310 4.297 5 20 IIBD CCOC(=O)c1sc2cccc(F)c2c1COC(=O)CCn1nc(C)c([N+](=O)[O-])c1C 726647685 QBMCVECDKFOHTN-UHFFFAOYSA-N 449.460 4.072 5 20 IIBD COc1cc(C(=O)Oc2ccccc2OCC(F)(F)F)c([N+](=O)[O-])cc1OC(F)F 727642008 XZFIRMOWKLELKH-UHFFFAOYSA-N 437.273 4.365 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCC(=O)N(C)[C@H]2CCCc3ccccc32)cc1SC 728467085 ATNOHGQQOMLABG-KRWDZBQOSA-N 444.509 4.018 5 20 IIBD COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1OC1CCCC1 728553582 IVKNINFJPAMNOE-UHFFFAOYSA-N 439.512 4.455 5 20 IIBD O=C(/C=C/c1nc2ccccc2s1)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730704752 RPWIWOVEEMSKIH-RUMSDORHSA-N 437.477 4.066 5 20 IIBD CN(C)[C@@H]1Cc2ccccc2N(C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 731468160 MUUBLBVKUORSQT-OAHLLOKOSA-N 439.459 4.225 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC[C@H](C)c1c(Cl)cccc1Cl 731626574 ZYGQNNOQYDFQJA-NSHDSACASA-N 441.267 4.021 5 20 IIBD O=C(COC(=O)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1)c1cccc([N+](=O)[O-])c1 731724777 PNTBKVNXRWULLT-NRFANRHFSA-N 427.359 4.419 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccc(-c3nc(C4CCCCC4)no3)cc2)c1 731793904 IYNFPMCPRGEIFK-UHFFFAOYSA-N 429.454 4.460 5 20 IIBD COc1ccc([C@H]2[C@@H](COC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC(=O)N2C)cc1 735788372 JDMUTVPQFNTETH-VGSWGCGISA-N 440.496 4.277 5 20 IIBD CCOC(=O)c1cc(C)sc1NC(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1 736434235 NMOGNLLTMGVCKF-UHFFFAOYSA-N 437.524 4.482 5 20 IIBD CC(C)n1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 737957462 OJLQMLREMLPDQJ-UHFFFAOYSA-N 441.875 4.208 5 20 IIBD C[C@H](OC(=O)[C@H](C)c1cccs1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 738778214 AZNZQONVUAALRT-NEPJUHHUSA-N 431.495 4.454 5 20 IIBD CC(C)CCn1cc(C(=O)Oc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)nn1 740641882 PSTHETZYWLOSEJ-UHFFFAOYSA-N 448.435 4.225 5 20 IIBD COc1c([N+](=O)[O-])cc(N[C@H](CCCO)c2ccccc2)c([N+](=O)[O-])c1Br 740872281 LIRYVTDZSSKVDH-GFCCVEGCSA-N 440.250 4.200 5 20 IIBD C[C@H]1[C@H](c2ccccc2)C[C@@H](C)N1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 742308534 JLWCBIYCWATCBW-DVOMOZLQSA-N 439.331 4.313 5 20 IIBD Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1 742868099 PXAFPFDURPMMCB-IBGZPJMESA-N 441.484 4.292 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])OCc1ncc(-c2ccccc2Br)o1 744478465 WSCBWQCKEMVGLF-UHFFFAOYSA-N 433.214 4.135 5 20 IIBD Cc1c(COC(=O)CCC[S@@](=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-] 745055684 VGIWHFLOBNEOAJ-AREMUKBSSA-N 440.315 4.297 5 20 IIBD COc1ccccc1N(C(C)=O)c1nc(COC(=O)Cc2cccc([N+](=O)[O-])c2)cs1 745328167 BXTXFCCUOWIPGZ-UHFFFAOYSA-N 441.465 4.030 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC1CCN(C(=O)OC(C)(C)C)CC1 745566301 QIHVUPNEOOBOLO-ZDUSSCGKSA-N 442.896 4.206 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)c(C(F)(F)F)c1 746664452 GPZYBOXPDYJISU-OAHLLOKOSA-N 436.358 4.418 5 20 IIBD O=C(Cc1ccccc1Cl)NCCCOC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 748497580 YGATYGMIVCBSTM-UHFFFAOYSA-N 432.885 4.369 5 20 IIBD COc1ccc(C(=O)COC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1Br 750533219 NJBPLWAETYGEGF-UHFFFAOYSA-N 428.622 4.059 5 20 IIBD C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 752321623 HUIBJRIHDNSWCJ-UONOGXRCSA-N 446.529 4.094 5 20 IIBD CCN(CC)Cc1csc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)n1 753478158 METJAGFUSCULRY-UHFFFAOYSA-N 427.324 4.216 5 20 IIBD O=C(COC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1cccc([N+](=O)[O-])c1 753668415 ISXBGGKKMMATDH-UHFFFAOYSA-N 446.459 4.026 5 20 IIBD CCOc1cc(COC(=O)c2csc(-c3ccc4c(c3)OCO4)n2)ccc1[N+](=O)[O-] 755554290 LANCZXPFMYAQLK-UHFFFAOYSA-N 428.422 4.203 5 20 IIBD Cc1cc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 756947771 OTBHNLHLNVMYJS-UHFFFAOYSA-N 427.505 4.196 5 20 IIBD O=C(NCc1ccnc(OC2CCCCC2)c1)c1cccc([N+](=O)[O-])c1Br 758191927 LWXQERITVFZOFX-UHFFFAOYSA-N 434.290 4.394 5 20 IIBD Cc1cc(F)cc(C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)c1[N+](=O)[O-] 758430490 UEMVYYZZUVWVSV-ZDUSSCGKSA-N 436.281 4.061 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 758802030 ZWBUYCUFJIGHAM-ZMSDIMECSA-N 445.520 4.331 5 20 IIBD COc1cc(C2SCCS2)ccc1OS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 759772005 WFKNVCUFAGUZMF-UHFFFAOYSA-N 445.515 4.297 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(CC(=O)O[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 759939173 LRGHRNKRQPJHCE-ZWKOTPCHSA-N 444.488 4.408 5 20 IIBD Cc1nn(Cc2ccc(C(=O)O[C@@H](C)c3nc(-c4ccccc4)no3)cc2)c(C)c1[N+](=O)[O-] 762192499 DBAJJFGGTHUJSR-INIZCTEOSA-N 447.451 4.424 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 762621142 DOQFAGPAVLUYPF-CABCVRRESA-N 437.512 4.163 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C 765075376 DMNQZOQRXQJNMA-NSHGMRRFSA-N 431.533 4.164 5 20 IIBD COc1ccccc1[C@@H](CNC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CCCCC1 765143851 BXGFURJRERNGRV-XMMPIXPASA-N 438.572 4.389 5 20 IIBD Cc1nnc(S)n1-c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 765356405 MCRGXOWQSUFUOX-UHFFFAOYSA-N 438.513 4.015 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1Cc2ccc(Br)cc2C1 765746150 IEDIRFXURLNKAV-UHFFFAOYSA-N 444.054 4.415 5 20 IIBD O=C(OCc1ccc(Oc2ccccc2)nn1)c1cc([N+](=O)[O-])ccc1Br 766101362 MTEBAYUJHMMWMG-UHFFFAOYSA-N 430.214 4.297 5 20 IIBD COc1cc(COC(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2)c([N+](=O)[O-])cc1F 766221638 JYKLWEJQCBKZQC-UHFFFAOYSA-N 434.420 4.375 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cc2c(cc1Br)CCC2 767175995 SOJYQMHFFLKXKY-UHFFFAOYSA-N 434.246 4.326 5 20 IIBD COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 769447485 QANFYAILXMHVDQ-UHFFFAOYSA-N 447.900 4.158 5 20 IIBD CCc1nc(COc2ccc(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)cc2)no1 770331004 PUVCAEJQFFNYPC-UHFFFAOYSA-N 447.245 4.134 5 20 IIBD C[C@H]1OCC[C@H]1C(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 770739506 CIGAARZFVNQCCQ-ZWNOBZJWSA-N 439.251 4.484 5 20 IIBD O=C(Nc1sc2c(c1C(=O)Nc1cc([N+](=O)[O-])ccc1O)CCCC2)c1cccnc1 770857046 PFCIDIFWIHRTMA-UHFFFAOYSA-N 438.465 4.140 5 20 IIBD O=C(NCc1ccc(C(=O)N2CCCC2)cc1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 771764028 GSXNHUDYEZQFNG-UHFFFAOYSA-N 436.390 4.171 5 20 IIBD COc1c([N+](=O)[O-])cc(N[C@@H](C)C[C@@H](O)c2ccccc2)c([N+](=O)[O-])c1Br 771929366 XVVDGNWIINZINN-IINYFYTJSA-N 440.250 4.198 5 20 IIBD O=C(c1cccc(Cl)c1)N1CCCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 774636703 XCJQSMJTVNVOAP-UHFFFAOYSA-N 448.310 4.057 5 20 IIBD CC(C)(O)CN(Cc1ccccc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 775973086 NZXJWTBOMXNAQE-UHFFFAOYSA-N 441.709 4.424 5 20 IIBD Cc1cc(=O)oc2cc(OCC(=O)O[C@H](c3cccnc3)c3ccccc3[N+](=O)[O-])ccc12 776134529 CPENVUBCSRUUAI-XMMPIXPASA-N 446.415 4.116 5 20 IIBD O=C(c1cnn(-c2ccccc2)c1)c1cc(F)ccc1OC[C@@H](O)c1ccc([N+](=O)[O-])cc1 776273807 ASVJWHYIWJZLKU-JOCHJYFZSA-N 447.422 4.263 5 20 IIBD CCCC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1 777937791 WBNLLHHLCJAZLY-UHFFFAOYSA-N 429.857 4.235 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)O[C@H](C)c1cc([N+](=O)[O-])ccc1C 778762210 XHSAVKWFWZHCQV-OXQOHEQNSA-N 430.526 4.368 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)[C@H]1CCN(Cc2ccccc2)C1 779009301 FUGDGACXPDAUIP-FPOVZHCZSA-N 436.556 4.226 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 779159738 AOMJZQSHQWDGGE-ZBFHGGJFSA-N 432.546 4.453 5 20 IIBD COc1cc(CN[C@H]2CCCc3cn(C(C)C)nc32)c([N+](=O)[O-])cc1OCC(F)(F)F 780763587 AFFFCEODRRFLKT-HNNXBMFYSA-N 442.438 4.489 5 20 IIBD O=C(COC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)Nc1ccccc1Cl 781257020 OXIOUUHDTFYAEJ-UHFFFAOYSA-N 442.805 4.408 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cccc(C(=O)NCc2ccccc2)c1 781714615 SDNWVEJRNYTVBU-UHFFFAOYSA-N 448.435 4.004 5 20 IIBD COc1ccccc1[C@H](C)CC(=O)Oc1cc([N+](=O)[O-])ccc1I 781748097 XVTOFXDMVKPJFU-LLVKDONJSA-N 441.221 4.307 5 20 IIBD COc1ccc2cc([C@H](C)OC(=O)CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])ccc2c1 783578086 VKSIPYCYNXQBFB-ZDUSSCGKSA-N 442.855 4.444 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc(-c2cccc(F)c2)c(F)c1 784732864 QAMVYYSMJVSCFP-UHFFFAOYSA-N 425.347 4.087 5 20 IIBD CCOc1c(Cl)cc(NCc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)cc1Cl 788965077 IFWUKEVRRDVCGD-UHFFFAOYSA-N 429.256 4.464 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)Cc2cccc(Cl)c2Cl)c([N+](=O)[O-])c1 789250381 URTXETWBZWLDLO-SNVBAGLBSA-N 427.240 4.023 5 20 IIBD COc1ccccc1COC1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 790912058 MDDKXBATCSNXKM-UHFFFAOYSA-N 436.867 4.146 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccc(CN2CCOCC2)c(Cl)c1 790927804 NSPAKQVRECAXOI-UHFFFAOYSA-N 442.274 4.054 5 20 IIBD CCc1onc(-c2ccccc2)c1C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 795933028 YSJMWLPJKANYSK-CYBMUJFWSA-N 439.424 4.005 5 20 IIBD Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)cc1 797512838 SUQVQHDDEWWDQW-LJQANCHMSA-N 441.440 4.354 5 20 IIBD C[C@@H](Cc1cncc2ccccc12)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 805681119 UFEMBAUQNBILJW-ZDUSSCGKSA-N 427.844 4.157 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)Nc1ccc2nccnc2c1Br 806674127 WZJSEGPGGHGJTP-UHFFFAOYSA-N 436.653 4.276 5 20 IIBD COc1cc(Cc2noc([C@@H](NC(=O)OCc3ccccc3)C(C)C)n2)ccc1[N+](=O)[O-] 809434499 BQWOAWGRTJCRPA-FQEVSTJZSA-N 440.456 4.201 5 20 IIBD O=[N+]([O-])c1cc(F)c(S(=O)(=O)Oc2ccccc2OCC(F)(F)F)cc1Cl 809814599 SJCYXTAJAJVSMJ-UHFFFAOYSA-N 429.731 4.096 5 20 IIBD CC(C)(CO)[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1cccs1 809849682 FUTFWIGGVPDBDF-CQSZACIVSA-N 439.342 4.001 5 20 IIBD C[C@H](NC(=O)N1CCC2(CC1)CCN(C(=O)OC(C)(C)C)C2)c1cccc([N+](=O)[O-])c1 814286100 XZVOIRAHBFIGIS-INIZCTEOSA-N 432.521 4.088 5 20 IIBD CCc1nc2ccccc2n1[C@@H]1CCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 819475126 GWKQAADSCPJIHD-HXUWFJFHSA-N 444.495 4.170 5 20 IIBD COc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc1NC(=O)OC(C)(C)C 915079034 NPMRAGXTBBXHFF-UHFFFAOYSA-N 446.416 4.419 5 20 IIBD C[C@H](Oc1cccc(Cl)c1Cl)C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 915494357 AKTPKYIPQLYRHF-JTQLQIEISA-N 438.223 4.462 5 20 IIBD O=C(NCCOc1ccc(C(F)(F)F)cc1)c1ccc(Br)c([N+](=O)[O-])c1 916466176 GESVBKGMWOXJIE-UHFFFAOYSA-N 433.180 4.185 5 20 IIBD Nn1c(SCCOc2ccccc2[N+](=O)[O-])nnc1-c1cc(Cl)ccc1Cl 917181863 AKEMUEKYEVLPDL-UHFFFAOYSA-N 426.285 4.045 5 20 IIBD C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 917673568 OBFMPBRBYBKXLR-MZTACXPWSA-N 440.475 4.199 5 20 IIBD O=C1C[C@H](C(=O)N2CCCCC[C@H]2c2ccccc2)CN1c1ccc(F)c([N+](=O)[O-])c1 917714546 OEHRGFJIGXCDOJ-PXNSSMCTSA-N 425.460 4.231 5 20 IIBD Cc1c(C(=O)OCCOc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)oc2c1C(=O)CCC2 920145886 DCEIVFVWCPKIHW-UHFFFAOYSA-N 427.331 4.270 5 20 IIBD CC(C)COC(=O)Nc1cccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 920234429 UPNAXMLWAKWJGI-UHFFFAOYSA-N 441.488 4.153 5 20 IIBD CSc1cccc(NC(=O)[C@H](C)OC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 920778981 XEYIYIVDYCSDCB-NWDGAFQWSA-N 438.889 4.308 5 20 IIBD COc1cc(COC(=O)c2cnc(-c3ccccc3)nc2)c([N+](=O)[O-])cc1OC(F)F 921214094 QDOAZRHIENVGAA-UHFFFAOYSA-N 431.351 4.019 5 20 IIBD C[C@@H](NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)NCC(F)(F)F 1318346462 KQCWLXHVXGUJKR-LLVKDONJSA-N 431.798 4.197 5 20 IIBD O=C(NCc1ccc(-n2cnc3ccccc32)nc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 1319825332 KBKBOUGAMJVXTH-UHFFFAOYSA-N 442.479 4.203 5 20 IIBD O=C(Nc1ccnn1Cc1ccccc1Br)N1Cc2ccc([N+](=O)[O-])cc2C1 1320788978 ZKMKGBPMGGKJFR-UHFFFAOYSA-N 442.273 4.150 5 20 IIBD O=C(c1cccnc1Sc1ccccc1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1324344511 JACIJPLUPVCFCV-UHFFFAOYSA-N 434.521 4.099 5 20 IIBD CC1=C(C(=O)N(C)C)[C@H](c2cc([N+](=O)[O-])ccc2Cl)NC(=S)N1c1ccccc1C 1337227820 HLGRWJHDVOPIMK-IBGZPJMESA-N 444.944 4.355 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1nn(-c2ccccc2F)cc1Br 1337462354 DGNQOLWQGNBPPA-UHFFFAOYSA-N 441.163 4.213 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)[C@H]3C[C@@]3(F)Cl)CCC2)cc1 1785795516 RZNWDYZLSKJPMY-GCJKJVERSA-N 445.878 4.196 5 20 IIBD Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])o4)CCC3)cc2)cc1 1787770008 IOVJJEUCMMOZHO-UHFFFAOYSA-N 433.464 4.487 5 20 IIBD C/C=C/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 1801206786 IMSLBFAMMGVADN-ROKNLJKFSA-N 425.510 4.194 5 20 IIBD O=C(CC1CC1)N1CCCC2(CCN(C(=O)C3(c4cccc([N+](=O)[O-])c4)CCC3)CC2)C1 1809396702 NFGYENYZOYEIIF-UHFFFAOYSA-N 439.556 4.048 5 20 IIBD O=C(CCC1CCC1)N1CCC([C@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1823676942 JVFKSFXKYQNGOG-HSZRJFAPSA-N 441.572 4.337 5 20 IIBD COc1cc(C(=O)OCC(=O)Nc2ccccc2-c2ccccc2)c([N+](=O)[O-])cc1OC 9487417 WTMNXBLTBVZRJM-UHFFFAOYSA-N 436.420 4.075 5 20 IIBD O=C(Nc1ccc(F)c(Cl)c1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 10323031 KCUUHBPVLGEBOC-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD Cc1nc2ccccc2c(C)c1CC(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 11196528 MFOYCWQEPIVOSW-UHFFFAOYSA-N 427.844 4.138 5 20 IIBD COc1cc(C(=O)NCCSCc2ccccc2F)c([N+](=O)[O-])cc1OC(F)F 11545213 FSXBOSOAFSIQDQ-UHFFFAOYSA-N 430.404 4.007 5 20 IIBD O=C(NC[C@@H]1CC2c3ccccc3C1c1ccccc12)c1cc2c(cc1[N+](=O)[O-])OCO2 12854946 MSBZIYYFYKHYTH-ZLRLJRRKSA-N 428.444 4.351 5 20 IIBD Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)c1[N+](=O)[O-] 16016762 AIZUJBFUNUHMLA-UHFFFAOYSA-N 431.514 4.109 5 20 IIBD NC(=O)c1ccc(COC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])c1 16131999 BMLMNTKPTRKCEO-UHFFFAOYSA-N 432.432 4.067 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc(OC(F)F)c(Cl)c1 18080362 KSMXHQYYUIYCKS-UHFFFAOYSA-N 441.774 4.176 5 20 IIBD Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccccc3[N+](=O)[O-])c3c(C)noc3n2)cc1 21762580 YYBVIPSCJVYIIG-UHFFFAOYSA-N 446.419 4.210 5 20 IIBD Cc1cc(NC(=O)[C@H](C)OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)ccc1Br 22550790 GMEDXQIKGVDUKC-KADSFNECSA-N 433.258 4.249 5 20 IIBD O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 33161243 VYDCDAYZAIZQPC-UHFFFAOYSA-N 442.357 4.237 5 20 IIBD CC(=O)c1ccc(N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn34)C2)c([N+](=O)[O-])c1 58441707 DHYYUVDSLWPAEU-AWEZNQCLSA-N 433.390 4.243 5 20 IIBD CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 64870648 OSXRDZZBXZOURF-UHFFFAOYSA-N 446.435 4.097 5 20 IIBD O=C(Nc1cc(Cl)ccc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)c1ccco1 108482998 BXDPCDHYNXDIOP-UHFFFAOYSA-N 425.788 4.222 5 20 IIBD CCn1c(SCC(=O)OCc2ccccc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 115022498 FBXVKOKPYAEYAZ-UHFFFAOYSA-N 432.889 4.362 5 20 IIBD O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 195716706 ORQYAAPAMYSHMX-UHFFFAOYSA-N 434.481 4.243 5 20 IIBD COc1ccc(CNCc2cccc(NC(C)=O)c2)cc1OCc1ccc([N+](=O)[O-])cc1 237241809 JBGAFZRMDVUJOS-UHFFFAOYSA-N 435.480 4.431 5 20 IIBD CS(=O)(=O)c1cc(C(=O)Nc2ccccc2Sc2ccccc2)cc([N+](=O)[O-])c1 410099922 GKTQPMUPHGQRNZ-UHFFFAOYSA-N 428.491 4.402 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 410150520 CGMMKIWFXWPTCR-UHFFFAOYSA-N 436.434 4.031 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)cc1 427555073 VCWYFMBTZSCYEN-QRQCRPRQSA-N 444.509 4.180 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](CO)Cc1ccccc1C(F)(F)F 427556279 YXVGQXVFHXXJTL-ZIAGYGMSSA-N 442.459 4.062 5 20 IIBD Cc1cc(N2CCOCC2)ccc1NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 436078710 AZPXPWNKRJGTEB-UHFFFAOYSA-N 431.467 4.218 5 20 IIBD COc1ccc(OCCCNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1 436149985 SDFWFGCZQGPOAQ-UHFFFAOYSA-N 438.430 4.167 5 20 IIBD COc1ccccc1C1(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CC1 436317319 URKJCMGNLMQRJC-UHFFFAOYSA-N 434.442 4.430 5 20 IIBD CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCOc2ccc(Br)cc21 438481457 XPITZINPKXYRQW-QGZVFWFLSA-N 435.274 4.179 5 20 IIBD CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@H]2CCCC[C@H]21 439985354 ULINYOCVTWCZNR-FSGKZVOOSA-N 444.576 4.026 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CC[C@@H](COCc2ccccc2)C1 444103919 WHIXFCUIVYYLKD-GOSISDBHSA-N 430.479 4.499 5 20 IIBD Cc1cc(C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c2ccc(Br)cc2n1 444634556 ZAQRLZDOAJTNLI-UHFFFAOYSA-N 440.257 4.020 5 20 IIBD COc1ccc([C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C2CC2)cc1 446957221 MACQBGVNFXCEON-QGZVFWFLSA-N 430.404 4.052 5 20 IIBD Cc1ccc(-c2cc(NC(=O)c3ccc(N[C@@H](C)c4ccccn4)c([N+](=O)[O-])c3)n[nH]2)o1 447806258 MTXURNXRGOVCRF-AWEZNQCLSA-N 432.440 4.707 5 20 IIBD COc1ccc(CNC(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)cc1[N+](=O)[O-] 448289106 IBMYWDGRTBQKKU-UHFFFAOYSA-N 435.362 4.130 5 20 IIBD CC(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H](c2nncn2C(C)C)C1 460741620 MWZRROOEIKYCBH-SFHVURJKSA-N 438.536 4.066 5 20 IIBD Cc1cc(Br)c(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)s1 462545720 CZLBLHCUSPAHKX-UHFFFAOYSA-N 433.349 4.327 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccccc1OC)N1CCCC1 462747550 ZJWYMRMQWRTVFJ-DENIHFKCSA-N 425.529 4.125 5 20 IIBD CN1CCC2(CC1)C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1O2 463100690 XNJCKORERUFBAI-KRWDZBQOSA-N 449.429 4.332 5 20 IIBD O=C(CCc1cc(Br)cs1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464641069 ATEFJZPEWACLAF-UHFFFAOYSA-N 439.331 4.421 5 20 IIBD COc1cc(CN2[C@H]3CC[C@H]2CC(O)(Cc2ccc(F)cc2F)C3)c([N+](=O)[O-])cc1F 464687597 FYFRQQDZAWSPAS-IRXDYDNUSA-N 436.430 4.121 5 20 IIBD CCc1ccc([C@H](C)NC(=O)[C@@H](C)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 464778397 NXWXEZPGAXNEMK-ZWKOTPCHSA-N 425.529 4.266 5 20 IIBD C[C@H]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN1Cc1ccccc1 464842885 MWSIJTMPAMPUNF-DLBZAZTESA-N 430.936 4.172 5 20 IIBD O=C(Nc1ccc2cccc(Br)c2n1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 465060543 UGSFKIFGNYEMAL-UHFFFAOYSA-N 438.241 4.344 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCCCC(=O)OC(C)(C)C)cc2[N+](=O)[O-])n1 465276103 GCPWZBDTWYQSCL-UHFFFAOYSA-N 437.543 4.363 5 20 IIBD C[C@@H](NC(=O)N1C[C@H](CC(=O)N(C)C)c2cc(Cl)ccc21)c1cccc([N+](=O)[O-])c1 465644784 BLOVWMYDMOKFSY-HIFRSBDPSA-N 430.892 4.101 5 20 IIBD Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)C2)c1 466297941 JNSSJMLCFHVMBD-MRXNPFEDSA-N 430.892 4.117 5 20 IIBD COc1cc(CCNC(=O)C2(c3c(Cl)cccc3Cl)CC2)c([N+](=O)[O-])cc1OC 469001343 QZKFONCODCMLJE-UHFFFAOYSA-N 439.295 4.309 5 20 IIBD COC(=O)CN(C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)C1CC1 470642960 UWHRJMFRXIWCDR-UHFFFAOYSA-N 443.506 4.133 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CN(c3cccc(CO)c3)C3Cc4ccccc4C3)n2)c1 470871845 BNDCMSKQSNZXNL-UHFFFAOYSA-N 442.475 4.311 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c(C)cc1C 471681607 YJFDGRAGMOPSNZ-UHFFFAOYSA-N 436.468 4.112 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccc(-c2ccc(F)cc2)cc1 472699438 AQIYPKZMMJUKRZ-ZDUSSCGKSA-N 425.391 4.356 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 473765458 OTGCQPLIBUXCRO-AWEZNQCLSA-N 440.905 4.081 5 20 IIBD O=C(COc1c(Br)cccc1[N+](=O)[O-])Cc1cccc(Br)c1 475871847 XEJYSCBHVPVTEW-UHFFFAOYSA-N 429.064 4.310 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1)c1cccc([N+](=O)[O-])c1 476706192 VWBAJCLDLOQJFO-GFCCVEGCSA-N 443.381 4.495 5 20 IIBD CCCc1[nH]nc(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)c1[N+](=O)[O-] 476922842 CELSSBKFCWKORC-UHFFFAOYSA-N 436.291 4.409 5 20 IIBD CC1(C)CN(C(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)CCN1 477310194 SIQWFEKFGITASJ-GHRIWEEISA-N 436.537 4.346 5 20 IIBD CCOc1cc(OCc2noc(Cc3ccc(Br)cc3)n2)ccc1[N+](=O)[O-] 478718081 JWPIPECMPDLKOZ-UHFFFAOYSA-N 434.246 4.309 5 20 IIBD O=C(NCCC(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1)c1ccc([N+](=O)[O-])cc1 478910930 RZHOEZTVPVMRTJ-UHFFFAOYSA-N 447.413 4.049 5 20 IIBD CCC[C@@H](C)N(C(=O)Cc1ccc([N+](=O)[O-])cc1F)c1nc(C)c(C(=O)OCC)s1 479023429 MVELLMVPADZLID-GFCCVEGCSA-N 437.493 4.440 5 20 IIBD Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])C2)c1 479371377 GJLVCQNXVGKNAO-QGZVFWFLSA-N 444.919 4.159 5 20 IIBD C[C@H]1CN(c2ccc(Nc3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])cn2)C[C@H](C)O1 480692115 GZRWHLRHACVIIZ-QWRGUYRKSA-N 447.364 4.396 5 20 IIBD COc1cc(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc(OC)c1Br 480765867 RIRBJSUVAHFWNZ-UHFFFAOYSA-N 438.278 4.081 5 20 IIBD COc1cc(C(=O)NC[C@@H]2CCCC[C@H]2C(F)(F)F)c([N+](=O)[O-])cc1OC(F)F 482202849 ALLGHCHDJWHTIH-GXSJLCMTSA-N 426.338 4.303 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 483096183 CDTWNZLVRIRCGV-SFHVURJKSA-N 432.498 4.143 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 483204206 CGPOFYNLUDIYTJ-UHFFFAOYSA-N 448.458 4.015 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2cc(F)ccc2Br)cc1SC 483404359 IPSSTKNLNGENCK-UHFFFAOYSA-N 429.267 4.157 5 20 IIBD CCO[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)[C@@H]1Oc1ccccc1 483960851 UQBWTXPNQSLGRX-ZVDOUQERSA-N 430.526 4.450 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@H]4[C@H](CCCN4Cc4ccccc4)C3)n2)cc1 485361511 NTRNCZCKHUXUTC-IRLDBZIGSA-N 433.512 4.131 5 20 IIBD O=C(Nc1ccn(-c2ncccc2C(F)(F)F)n1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 489330687 CMVMAHLQZOOGOE-UHFFFAOYSA-N 432.362 4.021 5 20 IIBD COCCn1c(C)c(C)c2cc(C(=O)Nc3cc(-c4cccc([N+](=O)[O-])c4)[nH]n3)ccc21 489932282 JIOGLMGAOLJALB-UHFFFAOYSA-N 433.468 4.455 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2 489982149 NHNOUUNBHLFDRF-PXAZEXFGSA-N 429.498 4.307 5 20 IIBD O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 490367907 MSCLHAFTGYFEQX-LLVKDONJSA-N 431.773 4.415 5 20 IIBD O=[N+]([O-])c1ccc(CN(Cc2nc(Cc3cccc(Br)c3)no2)C2CC2)cc1 490840292 FVRBEZUMSHGZDS-UHFFFAOYSA-N 443.301 4.496 5 20 IIBD O=C(CN[C@@H]1CCC[C@H]1Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Br 493388822 RZLYRUSXQWVHFO-MAUKXSAKSA-N 432.318 4.297 5 20 IIBD CC[C@H](NC(=O)C(=O)Nc1cc(-c2ccccc2)nn1C(C)C)c1cccc([N+](=O)[O-])c1 493968075 IYFCMUFLAMPIHR-IBGZPJMESA-N 435.484 4.245 5 20 IIBD NC(=O)c1ccc(SCC(=O)Nc2cc(Cl)ccc2OC2CCCC2)c([N+](=O)[O-])c1 494255045 XJBJAOBOXGMSPU-UHFFFAOYSA-N 449.916 4.399 5 20 IIBD CCN(C(=O)COc1ccccc1[N+](=O)[O-])[C@@H](c1cccnc1)c1ccc(F)c(F)c1 496557261 WNNFVABEZUZGKH-JOCHJYFZSA-N 427.407 4.285 5 20 IIBD CCOc1ccccc1Oc1ccc(CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])cn1 497520254 ARSBJPOBPSUUDW-UHFFFAOYSA-N 443.481 4.196 5 20 IIBD Cc1nccn1CCNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 498182010 JLUCMNMNARPLQY-JXAWBTAJSA-N 447.520 4.457 5 20 IIBD O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1Cl 499812797 AVHKYTMAFLHREJ-UHFFFAOYSA-N 429.782 4.356 5 20 IIBD CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 501992108 VYDJYEKZXVYTQM-FQEVSTJZSA-N 431.920 4.440 5 20 IIBD CC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 504821240 WMACMLCCVSUONP-UHFFFAOYSA-N 445.494 4.170 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3ccc(C(N)=O)c(C)c3)cc2[N+](=O)[O-])n1 504836237 YXQOBNAEDFVQQD-UHFFFAOYSA-N 428.495 4.171 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCN([C@H](C)c2ccccc2F)C1=O 505479547 JIVOLTWLHCUWAC-CDMIOBSGSA-N 441.503 4.171 5 20 IIBD O=[N+]([O-])c1cc(F)c(CSCc2nnnn2-c2ccc(C(F)(F)F)cc2)c(F)c1 507131519 JDRZXXUNWPYTKW-UHFFFAOYSA-N 431.346 4.301 5 20 IIBD COc1cc(CN2CC[C@@H](COc3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F 507712212 BJXREHGDTXMLFX-OAHLLOKOSA-N 440.418 4.445 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)N(Cc1ccc(F)cc1Cl)CC1CC1 509113031 SINUCDYUDHDONB-UHFFFAOYSA-N 426.897 4.172 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C1CC1)[C@@H](C)c1ccco1 509551644 HICWLFQNARWFTM-NSHDSACASA-N 440.237 4.467 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)c([N+](=O)[O-])c1 509585393 FPWIBNSPJUZNHX-UHFFFAOYSA-N 435.477 4.362 5 20 IIBD O=C(Nc1ccc(F)cc1)NC1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 509746815 OOQDWNHJLQRNQQ-UHFFFAOYSA-N 438.406 4.121 5 20 IIBD Cc1cccc(C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2I)c1 511978447 VEJGAPALMKROAA-UHFFFAOYSA-N 438.265 4.215 5 20 IIBD CCOC(=O)c1nnsc1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 512367569 JMVCQMDNMMVOAR-UHFFFAOYSA-N 448.844 4.321 5 20 IIBD CCN(C(=O)c1cc(OC)c(OCCOC)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 512467449 FPXWZHGMVLMLON-UHFFFAOYSA-N 442.390 4.314 5 20 IIBD COc1ccc(CS(C)(=O)=O)cc1NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 512895796 RFWVCWVAUKUOAT-UHFFFAOYSA-N 432.523 4.489 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cnn(-c2ccccc2F)c1-n1cccc1 512949155 RGTWKQDPILCBPS-UHFFFAOYSA-N 433.443 4.025 5 20 IIBD CCCOc1cc(NC(=O)N2CCN(C3CCCC3)CC2)c([N+](=O)[O-])cc1OCCC 514504483 LZWZHHWEEZVIQL-UHFFFAOYSA-N 434.537 4.265 5 20 IIBD CCc1cccc2c(C3CCN(S(=O)(=O)c4ccc(OC)c([N+](=O)[O-])c4)CC3)c[nH]c12 515721260 IPBBKDZFBSCZAO-UHFFFAOYSA-N 443.525 4.215 5 20 IIBD CCCN(C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)[C@@H](C)c1cc2ccccc2o1 516334487 SMRZFLDRTCSPAG-AWEZNQCLSA-N 430.482 4.358 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 516759230 QMTOGXIWNCISPK-UHFFFAOYSA-N 439.447 4.126 5 20 IIBD CCCOc1cc(NC(=O)C(=O)N(C)[C@H]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OCCC 519048094 PDEGPQAYVBTMKE-HOTGVXAUSA-N 435.521 4.148 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 519931604 UYBUMSFRHFRJDI-BBATYDOGSA-N 430.848 4.382 5 20 IIBD CN(Cc1ccc(C(C)(C)C)cc1)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 521105786 ZVZYGUXNWIGZNN-QGZVFWFLSA-N 429.542 4.217 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N(C2CC2)[C@H]2CCc3ccccc32)c1 521286792 FYGQCYOXHDLWIX-SFHVURJKSA-N 437.315 4.198 5 20 IIBD Cc1ccccc1C1(CNC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCCC1 521722734 IZKCZQVBIJXBAL-UHFFFAOYSA-N 443.931 4.305 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1 522244548 ZTZVXIUWLFPYEU-UHFFFAOYSA-N 427.819 4.309 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1nc(-c2ccc(Cl)cc2)no1 522341182 RNRKQJKNZOEDAG-UHFFFAOYSA-N 444.878 4.175 5 20 IIBD CC(C)CCSc1ccc(C(=O)NCC(=O)N2CCc3ccccc3C2)cc1[N+](=O)[O-] 523268177 KLVNFPXJFSOLHU-UHFFFAOYSA-N 441.553 4.048 5 20 IIBD NS(=O)(=O)c1c(NCc2ccccc2COc2ccccc2Cl)cccc1[N+](=O)[O-] 525706266 DULYGYCGZSWSRT-UHFFFAOYSA-N 447.900 4.087 5 20 IIBD O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 537022401 KCBQLRDEZTXAGM-IBGZPJMESA-N 432.436 4.027 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(-c2cnc3ccccc3n2)c1 537150883 XBCFWKNINGOCKN-UHFFFAOYSA-N 434.481 4.477 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCO[C@H](Cc2ccccc2)C1 537382024 AYHSGTGLKYAXRE-JOCHJYFZSA-N 431.492 4.291 5 20 IIBD Cc1cc(C)cc(-n2nc(NC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)cc2C)c1 538550229 VIZWDRSJTFGDFZ-UHFFFAOYSA-N 449.467 4.033 5 20 IIBD C[C@H](C(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc([N+](=O)[O-])cc1F 542514585 JRKBXVDYXCLUSA-NSHDSACASA-N 429.429 4.371 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 542993945 CATJAAJTBXFXPH-SFHVURJKSA-N 431.370 4.376 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CCC[C@H](Cn2ccnn2)C1 544554263 QMSXZOATTSGOGG-KRWDZBQOSA-N 429.546 4.021 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(C3Cc4ccccc4C3)no2)c(I)c1 545668301 FMNGUZINGQDPDT-UHFFFAOYSA-N 433.205 4.132 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(Cc3cc(F)c(F)cc3F)n2)c(Br)c1 546448530 WVKCRSXWIYKDNE-UHFFFAOYSA-N 428.164 4.339 5 20 IIBD O=C1COc2cc(-c3nc(-c4ccc(Oc5cccc([N+](=O)[O-])c5)cc4)no3)ccc2N1 546473521 VHNPXNURTVCGBE-UHFFFAOYSA-N 430.376 4.435 5 20 IIBD CCNc1ccc(C(=O)N2CCC(F)(c3cc(OC)cc(OC)c3)CC2)cc1[N+](=O)[O-] 549318276 UZUOIFAMJYXXMX-UHFFFAOYSA-N 431.464 4.145 5 20 IIBD Cc1nc2cc(CNC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)ccc2n1C1CC1 550215545 ABQNZFNJPXJDPF-UHFFFAOYSA-N 433.512 4.121 5 20 IIBD O=[N+]([O-])c1cc2c(Nc3cccc(CS(=O)(=O)Cc4ccccc4)c3)ncnc2s1 553429041 MIZJBSQAWYQBAQ-UHFFFAOYSA-N 440.506 4.458 5 20 IIBD Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 555050006 LTHHCZUZVHXIRA-UHFFFAOYSA-N 435.459 4.458 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N1CCC(CC(F)(F)F)CC1 560819438 CJYOHAFTCVONNA-UHFFFAOYSA-N 442.175 4.004 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCC[C@](O)(C(F)(F)F)CC3)c([N+](=O)[O-])c2)cc1 561379942 FATMCEYYTPPRQR-HXUWFJFHSA-N 437.418 4.439 5 20 IIBD C[C@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 563980106 GKWWGTRCWXHTCD-SNVBAGLBSA-N 440.681 4.169 5 20 IIBD Cc1cccn(Cc2c(F)cccc2NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c1=O 564225861 PVNMGJOUKONBCC-UHFFFAOYSA-N 429.835 4.087 5 20 IIBD COCCCOc1ccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1OC 565556588 PLZDVSAWGFYVPD-UHFFFAOYSA-N 432.476 4.358 5 20 IIBD CCCN(C)C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2ccccc2)C1 568668451 ZSTOGJIJEFDTIO-NRFANRHFSA-N 448.571 4.264 5 20 IIBD O=C(NC1(c2noc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)n2)CCCC1)c1ccccc1 572204865 KPJATSSFPHIRQT-UHFFFAOYSA-N 431.452 4.249 5 20 IIBD COC(=O)c1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c(C)cc1Br 577292501 GRCSPZXNWSONDL-UHFFFAOYSA-N 441.665 4.287 5 20 IIBD COc1ccc(-c2nsc(NC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)n2)cc1 577426126 PYSUEXPTHVQTDJ-UHFFFAOYSA-N 425.470 4.318 5 20 IIBD O=C(CCSc1ccc2c(c1)OCCCO2)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 579399843 SVWKAUMFKDVZGZ-UHFFFAOYSA-N 441.509 4.079 5 20 IIBD CN1CCC[C@H](CNc2cccc(C(N)=O)c2[N+](=O)[O-])[C@@H]1c1ccc(C(F)(F)F)cc1 579816751 VHMYDVYKTJHOMA-KDOFPFPSSA-N 436.434 4.208 5 20 IIBD COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CNc2cccc([N+](=O)[O-])c2)cc1 603471953 SHIJKKMHBMHOHL-HSZRJFAPSA-N 430.464 4.393 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2nc(C)c(Cc3ccccc3)s2)cc([N+](=O)[O-])c1 603816874 OTENXHOLFASBSL-UHFFFAOYSA-N 425.466 4.380 5 20 IIBD O=c1c2ccccc2nc(SCCCOc2ccc([N+](=O)[O-])cc2)n1Cc1cccnc1 603947961 NOIJRQSNSAFBDJ-UHFFFAOYSA-N 448.504 4.309 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(COc2cccc(Br)c2)o1 603999783 OOJMKYHRAVLMEO-UHFFFAOYSA-N 431.242 4.459 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(=O)N3CCSCC3)ccc2C)c1 608946092 PEYRCPYXLADTIM-UHFFFAOYSA-N 431.539 4.066 5 20 IIBD Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C2)cc1 609045301 UIWONBSXMREULA-INIZCTEOSA-N 436.468 4.323 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)NCC1CCN(Cc2ccccc2Cl)CC1 609291774 DKDSTSJODVNODK-UHFFFAOYSA-N 430.936 4.002 5 20 IIBD O=C1NC2(CCCCC2)C(=O)N1Cc1ccccc1CNc1ccc([N+](=O)[O-])cc1F 609324344 OVEKHFFUWXHSFS-UHFFFAOYSA-N 426.448 4.101 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(NC(=O)CCN2CCCCC2)c1 609434167 ZLRXWSHAZMCRSM-UHFFFAOYSA-N 439.516 4.073 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1 609658158 ROJDSDOLVCWKRX-NDEPHWFRSA-N 430.507 4.012 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCN(c3ccc(F)cc3C)C2)cc1SC 609757561 JTEDBHUFZSCADD-OAHLLOKOSA-N 433.505 4.172 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(C)c(OCc3cccnc3)c(C)c2)cc([N+](=O)[O-])c1 609837410 MTAHCQVGODEGHA-UHFFFAOYSA-N 435.436 4.225 5 20 IIBD COc1ccc(CSCC(=O)NCc2nc3ccccc3n2C(C)C)cc1[N+](=O)[O-] 609839188 UPJIOLYYWOSRGM-UHFFFAOYSA-N 428.514 4.084 5 20 IIBD CSc1ccc(C(=O)N2C[C@H](CC(=O)N(C)C)c3cc(Cl)ccc32)cc1[N+](=O)[O-] 610178368 SDBXYKSIOCPUFH-ZDUSSCGKSA-N 433.917 4.192 5 20 IIBD COc1ccc(-c2ccc(CNc3ccc(CS(C)(=O)=O)c(F)c3)o2)c([N+](=O)[O-])c1 610911787 YFJQATRTNCKUEO-UHFFFAOYSA-N 434.445 4.159 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)NC3CCN([C@H]4CCOC4)CC3)cc2[N+](=O)[O-])cc1 610913292 QGWBEJYKVMIHDY-IBGZPJMESA-N 441.553 4.038 5 20 IIBD COc1cc(CNc2cnc3c(c2)c(C)nn3C)ccc1OCc1ccc([N+](=O)[O-])cc1 611543667 RQUKIJWANSBEGJ-UHFFFAOYSA-N 433.468 4.385 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(Cc1ccccc1)C[C@@H](O)C(F)(F)F 611577632 LGUDLTICUBSETD-OAHLLOKOSA-N 436.308 4.179 5 20 IIBD CCOC(=O)c1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)s1 612478921 SYLWRXZCSWQIHL-UHFFFAOYSA-N 436.515 4.158 5 20 IIBD COC(=O)c1ccc(OCc2coc(-c3ccc(Br)cc3)n2)cc1[N+](=O)[O-] 613109907 DRWDPEWVDKZEBA-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD COC[C@@H](NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 619818292 XNEOUBUHDUYZFG-GOSISDBHSA-N 425.407 4.185 5 20 IIBD Cc1cn2c(CNC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)c(C)nc2s1 647841742 IZRVKAPZXLVQSW-UHFFFAOYSA-N 438.459 4.216 5 20 IIBD Cc1cc(C(=O)[C@H](C)OC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])c(C)n1Cc1ccco1 725937004 NXENKGOZPFWILZ-ZDUSSCGKSA-N 432.379 4.361 5 20 IIBD CCOc1cc(NC(=O)c2cc(Br)cnc2Cl)c([N+](=O)[O-])cc1OCC 726499560 HKNDVHBMGONOIY-UHFFFAOYSA-N 444.669 4.455 5 20 IIBD CC1CCN(c2ccc(C(=O)O[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cn2)CC1 727202919 HOFJWZLIGVESMF-CQSZACIVSA-N 446.891 4.064 5 20 IIBD Cc1nn(C)cc1[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 727738493 DNNXOCMRYQXQTI-LBPRGKRZSA-N 441.875 4.033 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)O[C@@H](c1ccccc1)c1cccnc1 728418544 ODGFHKAZZDYLQK-QFIPXVFZSA-N 433.420 4.011 5 20 IIBD CCc1ccc([C@H](C)NC(=O)[C@H](C)OC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])cc1 728656475 KZMDPLGZSZSZKB-KBPBESRZSA-N 446.525 4.310 5 20 IIBD CC1CCN(c2ccc(NC(=O)CCC(=O)N3CCc4ccc([N+](=O)[O-])cc43)cc2)CC1 730096943 QASKQDGTGIQPCJ-UHFFFAOYSA-N 436.512 4.139 5 20 IIBD O=C(Nc1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1)c1cccs1 734156229 KHTJOLNZTUZMAJ-UHFFFAOYSA-N 438.870 4.330 5 20 IIBD O=C(Nc1ccccc1)c1cc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])ccc1Cl 734416025 MEAYMYKJYCKMFY-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD COC(=O)N(C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc1 735253439 PVQUQEIOYLSVIW-UHFFFAOYSA-N 440.500 4.282 5 20 IIBD C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 741995526 DBLBBILHHKDMJK-ZDUSSCGKSA-N 436.281 4.015 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cccc(Br)c2)c(C(F)(F)F)c1 746604598 IUYZYDWPOXZDQK-UHFFFAOYSA-N 426.166 4.144 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2SC[C@@H](O)c2ccccc2)cc1 747324351 RRNYZVNUWIZMEP-LJQANCHMSA-N 430.507 4.221 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c(OC[C@@H]2CCCO2)c1 748630572 OMFHKABQZMTLAY-HNNXBMFYSA-N 429.429 4.238 5 20 IIBD CC(=O)NC[C@@H](OC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 749214999 MWWSBYSDJJJVSD-HSZRJFAPSA-N 433.464 4.241 5 20 IIBD O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 749867294 IOPPVYURBWSTHC-UHFFFAOYSA-N 449.216 4.278 5 20 IIBD CNC(=O)c1cc(Oc2ccccc2NC(=O)c2cccc(Cl)c2[N+](=O)[O-])ccn1 750202776 HPPSIMHOODCVNS-UHFFFAOYSA-N 426.816 4.047 5 20 IIBD O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1ccc(CN2CCCCC2)cc1 750434763 NXUSTLKIRCLEBC-UHFFFAOYSA-N 438.528 4.049 5 20 IIBD CN(C[C@@H]1OCCc2ccccc21)C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 750854072 KCUUKDUOUSCBAD-INIZCTEOSA-N 439.693 4.397 5 20 IIBD Cc1ccc([C@H]2COCCN2C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)o1 750879484 GAUQUZDHHDBDPJ-CYBMUJFWSA-N 429.654 4.126 5 20 IIBD CC(C)c1ccccc1NC(=O)COC(=O)c1cc([N+](=O)[O-])c(Br)cc1F 751691555 KAXUEGXQIYAWDB-UHFFFAOYSA-N 439.237 4.415 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N(Cc2cccnc2)c2ccc(F)cc2)cc1[N+](=O)[O-] 752236506 XLAMPMYOIHOEAT-UHFFFAOYSA-N 435.864 4.486 5 20 IIBD CCOC(=O)CC[C@@H]1CCCN(Cn2nc(-c3ccc([N+](=O)[O-])cc3)n(CC)c2=S)C1 752799027 WIKPSYINOYBYPY-INIZCTEOSA-N 447.561 4.022 5 20 IIBD Cc1nn(C)c(C)c1CCC(=O)O[C@H](c1ccc(Br)cc1)C(C)(C)[N+](=O)[O-] 753944830 GJQCJUSYZZYTSQ-GOSISDBHSA-N 438.322 4.072 5 20 IIBD O=C(Nc1cccc(N2CCCCC2=O)c1)c1cc(F)cc([N+](=O)[O-])c1Br 754980343 JCLXCLNXIXBDNX-UHFFFAOYSA-N 436.237 4.266 5 20 IIBD CCc1ccc(-c2noc([C@H](C)NCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 755169411 ROLLQTPNEYQNHE-LBPRGKRZSA-N 429.864 4.150 5 20 IIBD C[C@@H](OC(=O)Cc1ccccc1NC(=O)OC(C)(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 756458920 GLPDVZKXSNIQLT-CQSZACIVSA-N 443.456 4.055 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(CC(=O)O[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 759939166 LRGHRNKRQPJHCE-ROUUACIJSA-N 444.488 4.408 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760474726 BZURFHWUTHBPOE-UHFFFAOYSA-N 432.436 4.468 5 20 IIBD COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)ncc1Br 763223380 CRXHBRAEIMAYPX-UHFFFAOYSA-N 435.278 4.004 5 20 IIBD C[C@@H](OC(=O)c1ccnn1C1CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 767455681 OLMSDMJOOGTFOU-LLVKDONJSA-N 440.378 4.109 5 20 IIBD O=C(/C=C\c1ccccc1)N1CCC(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 768942760 AQFJQFAAHWNVSA-XFXZXTDPSA-N 433.508 4.038 5 20 IIBD COc1ccc(-c2ccc(CN3CCOC[C@H]3C[C@H](O)c3cccs3)o2)c([N+](=O)[O-])c1 770302718 SBLFOPDZQOJOER-QRWLVFNGSA-N 444.509 4.249 5 20 IIBD Cc1nnc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)o1 771563348 AZXWKKVQQIXVPD-MRXNPFEDSA-N 449.511 4.236 5 20 IIBD C=C1c2ccccc2C(=O)N1CCC(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 775495585 MKIHSBCFMXGRHX-UHFFFAOYSA-N 434.477 4.198 5 20 IIBD Cc1cc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)ccc1-c1ccc(Br)cc1 778000081 HBTVBFDNODSCMF-UHFFFAOYSA-N 429.274 4.476 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCN(c2ncnc3sccc23)C1 778093167 OGZXWNNAMOZQAT-GFCCVEGCSA-N 432.889 4.213 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1ccccc1-c1c(F)cccc1F 778652312 SOWKFRJMWRRUAU-UHFFFAOYSA-N 445.809 4.448 5 20 IIBD COc1cc(COC(=O)[C@@H]2C[C@@H]2c2sccc2C)c([N+](=O)[O-])cc1OCC(F)F 780075372 ODJQMSMPFULHEK-QWHCGFSZSA-N 427.425 4.464 5 20 IIBD O=C(COC(=O)c1cccc(Br)c1Cl)Nc1ccc(Cl)cc1[N+](=O)[O-] 780128596 IYCOHKWLFMBVCR-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2nnc(S)n2C2CC2)CC1 780479412 DFFCTNRXJKQDFX-UHFFFAOYSA-N 447.586 4.332 5 20 IIBD Cc1cc(COC(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)ccc1[N+](=O)[O-] 781172140 UGLPBDOSGUCFPV-GOSISDBHSA-N 447.285 4.014 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(-c2cn3ccsc3n2)cc1 781559724 QLOHJJYWWULKBE-UHFFFAOYSA-N 437.437 4.451 5 20 IIBD Cc1ccccc1CN(Cc1cccnc1)C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781625818 ARTILWXCHAXHOB-QHCPKHFHSA-N 430.464 4.020 5 20 IIBD O=C(Oc1cc([N+](=O)[O-])ccc1I)c1ccc(Cl)nc1Cl 782665498 SCQCQHMEKVLNLK-UHFFFAOYSA-N 438.992 4.120 5 20 IIBD Cc1[nH]c2ccccc2c1C1=CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 783313361 OPZYFQNQDIWCSE-UHFFFAOYSA-N 438.871 4.292 5 20 IIBD CC(C)c1ccc(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1[N+](=O)[O-] 784258051 SBLQWYZFEOWBNF-LLVKDONJSA-N 435.820 4.464 5 20 IIBD Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)OCc2ccc([N+](=O)[O-])c(F)c2)cc1 785507494 BAHWBZZKUHXDMX-UHFFFAOYSA-N 444.440 4.200 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)C[C@@H](C)c1c[nH]c2ccccc12 787228646 UWWGRQYJRGRVIL-ZIAGYGMSSA-N 425.441 4.149 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)OCc1ccc(F)cn1 787614715 ULJQYKMCSSSHCC-UHFFFAOYSA-N 432.411 4.268 5 20 IIBD O=C(/C=C/SCc1ccco1)Nc1ccc([N+](=O)[O-])c(I)c1 788107590 HGOSCPQBEIWJMB-FNORWQNLSA-N 430.223 4.178 5 20 IIBD CCOC(=O)c1csc([C@H]2CCCN2Cn2c(=S)oc3ccc([N+](=O)[O-])cc32)n1 790483503 RQTSNEIECKZSJH-CYBMUJFWSA-N 434.499 4.300 5 20 IIBD O=C(CCCn1cnc2ccccc21)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 803545462 CIOTZQKTANLYQU-UHFFFAOYSA-N 443.301 4.072 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@H](NCc1ccccc1)c1ccco1 804270585 AUUPCUIGBGTWPE-SFHVURJKSA-N 431.851 4.170 5 20 IIBD C[C@H](Cc1cncc2ccccc12)C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 805681756 IYPQKIGOFFCJOR-CYBMUJFWSA-N 427.844 4.157 5 20 IIBD Cc1nc2c(s1)[C@@H](N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)CCC2 809816765 OICPFSZLUXVBHR-LBPRGKRZSA-N 436.342 4.365 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@@H]1CCN(c2ccc(Br)cc2)C1 809910789 BUMLJOAIIKFTAC-GFCCVEGCSA-N 439.697 4.411 5 20 IIBD Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810364471 XSWYQSONZNEFIV-GOSISDBHSA-N 448.317 4.460 5 20 IIBD COc1cc(C(=O)OC[C@@H]2CCN(c3ccccc3F)C2)c([N+](=O)[O-])cc1OC(F)F 810914451 FKHOOVJWQIKSEF-GFCCVEGCSA-N 440.374 4.027 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811217085 QJCPPZXYEPJTMD-DLBZAZTESA-N 447.513 4.455 5 20 IIBD C[C@H](CC(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)NC(=O)C1CCCCC1 811217974 JRKLOHABAGVBLU-CQSZACIVSA-N 431.514 4.237 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCCC[C@@H]2COC(=O)NC2CCCC2)cc1[N+](=O)[O-] 812107872 GDILHGUTWVIZOR-QFBILLFUSA-N 432.521 4.197 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc([N+](=O)[O-])c1Cl 813246329 IDVWIZSRLGQCFA-UHFFFAOYSA-N 439.833 4.064 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 814428118 JLSHLHXPXCHHTE-DLBZAZTESA-N 447.532 4.103 5 20 IIBD O=C(Nc1ccc(CN2C(=O)CSC2=O)cc1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 815165821 OHEROVCIODYXNY-UHFFFAOYSA-N 439.371 4.061 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N1CC2(CCC2)[C@@H]1c1ccccc1 815799494 VLNOJSCXHKDBLP-KRWDZBQOSA-N 444.285 4.050 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC12CCC2 816856343 FCKNQHIUADFGAZ-CQSZACIVSA-N 428.489 4.128 5 20 IIBD COc1cc(C(=O)N(C[C@H]2C[C@H]3CC[C@H]2C3)OC)c([N+](=O)[O-])cc1OCc1cscn1 817034062 OOWULTXWMIILSN-SOUVJXGZSA-N 447.513 4.079 5 20 IIBD C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(N2CCCOC2=O)cc1 817290719 GSNVPVVVXADKRT-GFCCVEGCSA-N 448.273 4.195 5 20 IIBD Cc1c(C(=O)Nc2cccc(S(=O)(=O)C3CCCCC3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 817477343 FWLXLVWWIAOQAO-UHFFFAOYSA-N 447.469 4.170 5 20 IIBD CCOC(=O)c1cc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)ccc1O 819359857 LOSNYBBXFXYCFT-UHFFFAOYSA-N 443.637 4.145 5 20 IIBD O=C(Nc1ccnc(OCC(F)(F)F)c1)c1cc(F)cc([N+](=O)[O-])c1Br 820001781 CHPPZHUDPRLUKC-UHFFFAOYSA-N 438.131 4.085 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c(C)n1C(C)C 844186049 VTVCYAQWOSAGCT-UHFFFAOYSA-N 427.379 4.408 5 20 IIBD Cc1ccc(NC(=O)c2nnc(COC(=O)c3cc([N+](=O)[O-])ccc3Cl)s2)cc1 844264261 MURPYTOYPGKJQR-UHFFFAOYSA-N 432.845 4.017 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1 918098227 YOCIEOZSGJJXER-UHFFFAOYSA-N 448.389 4.405 5 20 IIBD C[C@@H](OCc1ccccc1)C(=O)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 918634898 SNHXYNUXJPUAJC-WIYYLYMNSA-N 440.496 4.128 5 20 IIBD Cn1c(COC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)nc2cc(Cl)ccc21 918841706 PVLJKJUANMYDTI-UHFFFAOYSA-N 428.876 4.095 5 20 IIBD Cc1c(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] 919225751 PUPQRHMRSNWWFF-SECBINFHSA-N 442.211 4.302 5 20 IIBD Cc1c(C(=O)N[C@@H](C)CCc2ccc(Br)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 919759783 LPKAIBVDRWSXOH-NSHDSACASA-N 436.262 4.325 5 20 IIBD O=C(NC1(c2cccc(Br)c2)CCOCC1)c1ccc(Cl)c([N+](=O)[O-])c1 920018449 RHTYQLJMMFLSMD-UHFFFAOYSA-N 439.693 4.446 5 20 IIBD CN1CCN(c2ccccc2C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 1318653705 PPVXCGCGWBQOJL-UHFFFAOYSA-N 432.480 4.391 5 20 IIBD C[C@@H](C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 1318796075 YBTVKERPOACHHD-FOIQADDNSA-N 425.485 4.339 5 20 IIBD O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@H](C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 1318810426 WWMAYUDHJOUGPZ-HNNXBMFYSA-N 448.306 4.296 5 20 IIBD O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 1320697522 OLXUMLCRDRPKNS-IBGZPJMESA-N 426.423 4.125 5 20 IIBD COc1cc(CC(=O)Nc2ccc(C3(NC(=O)c4ccco4)CCC3)cc2)ccc1[N+](=O)[O-] 1790477978 OVIKKNJINZVENQ-UHFFFAOYSA-N 449.463 4.187 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3cccc(F)c3[N+](=O)[O-])cc2)CCC1)c1ccncc1 1790697934 BLCTYNSLSYWKHS-UHFFFAOYSA-N 434.427 4.190 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3cc(F)c[nH]3)CCC2)cc1)c1cc(F)cc([N+](=O)[O-])c1 1790699748 ZTCVFRMCRJVMRS-UHFFFAOYSA-N 440.406 4.263 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@@H]3CCCS3)cc2)CCC1)c1cc(F)cc([N+](=O)[O-])c1 1792014650 UMTGGDSFAKEPGW-IBGZPJMESA-N 443.500 4.377 5 20 IIBD CCCCC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1c1cccnc1 1802269581 NDUWTAOIZYHXEV-MDKPJZGXSA-N 442.516 4.119 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)[nH]n1)c1ccc([N+](=O)[O-])o1 1814312907 SPWYRFXJBDBBTE-WBTNSWJXSA-N 441.488 4.043 5 20 IIBD Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3ccccc3[N+](=O)[O-])[nH]n2)o1 1815387053 JPUKUWQRVNBBQI-FMAYLGMYSA-N 449.467 4.239 5 20 IIBD CC(C)/C=C/C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cccc([N+](=O)[O-])c2)n[nH]1 1815538667 HETZCFDDOAVBJT-JTPHSUOKSA-N 439.516 4.155 5 20 IIBD Cc1c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3CCC3)n[nH]2)cc(Cl)cc1[N+](=O)[O-] 1816672737 QZOQRFJLCOZANS-QGZVFWFLSA-N 445.907 4.386 5 20 IIBD C[C@@H]1CCC[C@@H]1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)[nH]n1 1818959057 NCCMEEUNJWXNLM-FMEYXAORSA-N 443.479 4.199 5 20 IIBD Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3CCCC3)CC2)cc1[N+](=O)[O-] 1830362648 DTXBPKAWZHOCNW-JOCHJYFZSA-N 441.572 4.256 5 20 IIBD O=C(CC1CCC1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830498287 UUCQOKQBSMTMNZ-NRFANRHFSA-N 431.508 4.157 5 20 IIBD COc1ccc2c(C)cc3nnc(S[C@@H](C)C(=O)Nc4ccccc4[N+](=O)[O-])n3c2c1 9221486 GCZKTWZBMHVEMP-ZDUSSCGKSA-N 437.481 4.227 5 20 IIBD CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2CC)c([N+](=O)[O-])c1 9485433 LVIBFAPKKWEPBJ-UHFFFAOYSA-N 427.486 4.003 5 20 IIBD COc1ccc([C@@H](CNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)N2CCCCC2)cc1 10050826 LMJGSGICJJSRSU-HXUWFJFHSA-N 429.542 4.282 5 20 IIBD C[C@@H](OC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 11493486 MWLLCTULYZWGDD-SNVBAGLBSA-N 449.250 4.476 5 20 IIBD Cc1cc(=O)oc2cc(OCC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)ccc12 14376768 OSISRKLGAQNZPD-UHFFFAOYSA-N 437.433 4.151 5 20 IIBD O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)c1ccc(NC2CC2)c([N+](=O)[O-])c1 15028067 CPDUTWXASITBRE-UHFFFAOYSA-N 443.813 4.078 5 20 IIBD C[C@H](OC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 18026474 JJUAZKNGKQXXPU-ZDUSSCGKSA-N 429.429 4.126 5 20 IIBD COc1cccc(NC(=O)C2=C(C)N(C)C(=S)N[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1 21187250 ZKBCPCGTSUMVAV-SFHVURJKSA-N 446.916 4.031 5 20 IIBD CC[C@@H](c1nnc(SCc2ccccc2[N+](=O)[O-])n1-c1ccc(OC)cc1)N(C)C 25757092 LNBWANPVDQFAFW-SFHVURJKSA-N 427.530 4.489 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccc(NC(=O)C2CC2)cc1 27299193 CVLUSUQUOGOWSJ-MRXNPFEDSA-N 436.512 4.425 5 20 IIBD O=C(CCn1cc([N+](=O)[O-])cn1)N(Cc1cccs1)c1ccc(Br)cc1 63596023 ROTNYEPYTXTYDB-UHFFFAOYSA-N 435.303 4.239 5 20 IIBD CC1CCN(c2ccc(CNC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)cn2)CC1 65103035 HUNQFCWWVJUCSK-UHFFFAOYSA-N 437.525 4.280 5 20 IIBD Cc1c(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 71817527 IQGZGMJAHGIPGF-UHFFFAOYSA-N 426.410 4.122 5 20 IIBD CC(C)(C(=O)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccc(Cl)c1 97592529 SKRVITXZWNTLSA-UHFFFAOYSA-N 425.268 4.152 5 20 IIBD Cc1c(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)cnn1-c1ccccc1F 107797995 SLWHQQVMWSLRHN-UHFFFAOYSA-N 436.365 4.433 5 20 IIBD O=C(Nc1cccc(Cl)c1)N1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 109686129 BTARYKXAFAIAMP-UHFFFAOYSA-N 437.283 4.282 5 20 IIBD COc1ccc(OC)c([C@H](O)CNCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c1 110461499 JXQIZUWAXTWJMZ-LJQANCHMSA-N 432.860 4.349 5 20 IIBD CN1CCC2(CC1)C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1O2 195654106 KFOOLLBAKGAOHF-GOSISDBHSA-N 430.892 4.358 5 20 IIBD COc1ccc([C@H](C)NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1Br 216015098 QJZSGHQGNCJCPZ-JTQLQIEISA-N 442.697 4.309 5 20 IIBD CCn1c(Sc2ncc([N+](=O)[O-])cc2Br)nnc1-c1ccccc1OC 301523920 IDLCAQYNVYWZFS-UHFFFAOYSA-N 436.291 4.191 5 20 IIBD O=C(NCC1(c2cccc(F)c2F)CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 426513271 HEQKEFDTILMXJL-UHFFFAOYSA-N 437.830 4.093 5 20 IIBD O=C(Nc1ccc(OCC2CCOCC2)cc1)c1ccc(Br)cc1[N+](=O)[O-] 430643492 RLLPDZQBNBTFAX-UHFFFAOYSA-N 435.274 4.415 5 20 IIBD COC[C@H](Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])c1ccc(C)o1 433800604 WCRMYYDWTALZED-SFHVURJKSA-N 431.470 4.097 5 20 IIBD COc1cc(CCNC(=O)Nc2nc3cc(F)c(C)cc3s2)c([N+](=O)[O-])cc1OC 434533224 QUPXNAMCQCKLBD-UHFFFAOYSA-N 434.449 4.033 5 20 IIBD CN(C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccc(Oc2ccccc2)cc1 435747750 BCGYKCLMYCSSPM-UHFFFAOYSA-N 445.431 4.317 5 20 IIBD CC(=O)N1CCc2cc(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)ccc21 435819980 ZESHJODNSVPVPI-UHFFFAOYSA-N 433.414 4.121 5 20 IIBD O=C(NCc1ccc(OC2CCCC2)nc1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 436065522 IXUDKDOCDHXKNU-UHFFFAOYSA-N 431.467 4.467 5 20 IIBD C[C@H]1C[C@H](C)CN(C(C)(C)CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 436152829 NWLPDALKYLGQCR-GJZGRUSLSA-N 441.522 4.446 5 20 IIBD Cc1ccc(-c2ncccc2NC(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)s1 437036497 MJUYENPWIZGITQ-UHFFFAOYSA-N 436.493 4.156 5 20 IIBD COc1cc(C(=O)N[C@@H](C)c2ccc(F)cc2F)c([N+](=O)[O-])cc1OCc1cscn1 438098866 RGDMWSPGNWQDAU-NSHDSACASA-N 449.435 4.408 5 20 IIBD Cc1ccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1C(=O)NC(C)C 438756397 UURCULWUSFVQLS-UHFFFAOYSA-N 446.312 4.149 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(-c2nc(C)cs2)c1 439833609 TXNZIMNRESUFBH-UHFFFAOYSA-N 426.454 4.003 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(C)c(OCC2CCCCC2)c1 441079323 YVTHCPGMAHPYMC-UHFFFAOYSA-N 441.484 4.448 5 20 IIBD O=c1c2ccccc2n(Cc2nc(-c3ccc(OCC(F)F)cn3)no2)c2ccccc12 442676749 LXXGJJBOFHHWGG-UHFFFAOYSA-N 434.402 4.292 5 20 IIBD CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)c1 442988286 ANVKYPQJEXRUNR-GOSISDBHSA-N 447.557 4.189 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CC[C@@H](OCCN3CCCC3)C2)cc1[N+](=O)[O-] 443869666 QFFOWGXIDGPCMG-LJQANCHMSA-N 435.590 4.060 5 20 IIBD CCO[C@@H]1C[C@@H](NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)[C@H]1Oc1ccccc1 444338723 RJNDIXKQPWOLKB-DNRQZRRGSA-N 446.478 4.175 5 20 IIBD O=[N+]([O-])c1cccc(-c2csc(NS(=O)(=O)Cc3ccc(F)c(Cl)c3)n2)c1 446809887 UPHWKEDGEWRGII-UHFFFAOYSA-N 427.866 4.453 5 20 IIBD CCCC(=O)Nc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 446987897 CUOKORORTWNQNP-UHFFFAOYSA-N 431.392 4.153 5 20 IIBD COc1ccccc1[C@@H](CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-])OC(C)C 447808882 YYSPDFLQCZESSE-HSZRJFAPSA-N 429.517 4.014 5 20 IIBD COc1cc(OC)cc(-c2cccc(NC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)n2)c1 462844033 IAPULSWIRNCAPO-UHFFFAOYSA-N 445.435 4.112 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2c(F)cc(F)cc2Br)c(Cl)c1 463381342 MFJSMQDWHLOPSG-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD CS(=O)(=O)c1cccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)c1 464367773 RQSUEXZKRRJHJY-FQEVSTJZSA-N 444.896 4.171 5 20 IIBD C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 464386466 ILWXVZOHLREJBG-QGZVFWFLSA-N 445.475 4.207 5 20 IIBD COC(=O)c1cccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1OC(C)C 466682005 VYMMCNHFXRBMLS-UHFFFAOYSA-N 441.484 4.024 5 20 IIBD CCc1c(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cnn1-c1ccccc1 468194993 BQFJTNUXVVPHTJ-UHFFFAOYSA-N 444.495 4.457 5 20 IIBD C[C@H](C[S@@](C)=O)N(C)C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 468292344 SRLWLJOVNJJWHV-XETJZTBLSA-N 449.579 4.195 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC(c2ncccc2Cl)CC1 469957109 RRGCAMVADATTBS-UHFFFAOYSA-N 438.709 4.354 5 20 IIBD CCO[C@@H](CCNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)C(C)C 469990206 HXIUMLKXKGESRF-INIZCTEOSA-N 429.304 4.268 5 20 IIBD C[C@@H]1OCC[C@@]12CN(C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)CCO2 470666342 FYSFGPCZKGKMSJ-LHSJRXKWSA-N 448.928 4.419 5 20 IIBD CN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCCN(Cc2ccccc2)C1 470671792 AWDMZCGDXZUUJC-HXUWFJFHSA-N 436.537 4.455 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)NCCc1cc(Cl)ccc1Br 471055167 BODOMLDXWYFBSQ-UHFFFAOYSA-N 427.682 4.382 5 20 IIBD Cc1cccc(I)c1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 474671010 GAPQUCPRNOQDOC-UHFFFAOYSA-N 438.265 4.261 5 20 IIBD COC(=O)[C@H]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C 475373260 PHGVFCYMWVHDPU-VGSWGCGISA-N 434.496 4.079 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3C[C@@H](C)O[C@@]4(CCOC4)C3)cc2[N+](=O)[O-])cc1 478420229 CKGILKYSIYEROK-ZHRRBRCNSA-N 428.510 4.074 5 20 IIBD Cc1cc(OCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)c(F)cc1[N+](=O)[O-] 479153400 BCPRLEYFGYNOFK-INIZCTEOSA-N 429.429 4.454 5 20 IIBD Cc1c(NC(=O)N2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)cccc1[N+](=O)[O-] 479821466 GEFHOFOLUJMOKO-HNNXBMFYSA-N 429.452 4.108 5 20 IIBD COc1cccc(CNC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c1OC 481075415 KXHOOJQKLPYZNQ-HOTGVXAUSA-N 427.501 4.024 5 20 IIBD C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C[C@@H](C)[S@]1=O 481739086 QSKBKCAGNZQFRD-BBUILTEJSA-N 438.958 4.381 5 20 IIBD COCCc1noc(-c2cc(Cl)ccc2NC(=O)c2cccc(SC)c2[N+](=O)[O-])n1 486430373 HTIBGZMLLRVKRJ-UHFFFAOYSA-N 448.888 4.461 5 20 IIBD COC(=O)[C@H]1CCCC[C@]1(C)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 486460106 NNKRMNDZXNIVOJ-XXBNENTESA-N 426.469 4.026 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 487990935 ICKBDDSRRAOMRE-JTQLQIEISA-N 447.845 4.227 5 20 IIBD C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 488839659 OBJKLVLCRJRMKK-QGZVFWFLSA-N 441.553 4.071 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@@H](c3ccccc3)C2)cc1OC 489668159 PUTUDXQXVYUXPJ-MSOLQXFVSA-N 428.485 4.085 5 20 IIBD O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 489917224 WQKCDGUOBQSGTN-GOSISDBHSA-N 434.283 4.187 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)Nc3ccc(-n4cncn4)nc3)cc2[N+](=O)[O-])cc1 491343707 QZEZNFJZNDVMLT-UHFFFAOYSA-N 432.465 4.282 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)cc1C 497539029 NMCQQVPFFOSQGS-UHFFFAOYSA-N 440.403 4.217 5 20 IIBD O=C(c1ccc(S(=O)(=O)C2CCCC2)cc1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 498147353 PYTQQFURKIVBBI-OAQYLSRUSA-N 446.550 4.199 5 20 IIBD COc1cc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC(F)F 498152813 LNHZIZAZVRVMKK-GOSISDBHSA-N 440.424 4.101 5 20 IIBD COC[C@@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 498602894 MPQJPFUVLYUPGE-OAHLLOKOSA-N 428.510 4.046 5 20 IIBD CC(C)COCCC(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 500737048 JNFCQRIYPCENHH-UHFFFAOYSA-N 431.558 4.030 5 20 IIBD C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] 501055244 ANGCGPCFAWTQEE-VBKZILBWSA-N 448.317 4.148 5 20 IIBD Cc1cnc(O)n1-c1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 501983536 MMYIVWZXZSMSPH-KGLIPLIRSA-N 443.891 4.126 5 20 IIBD CN(c1ccccc1)S(=O)(=O)c1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 505036949 WBHSMBMTBSBXTA-UHFFFAOYSA-N 436.449 4.137 5 20 IIBD CC(C)Oc1ccc([C@H](C)NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 508756798 AFKLQLFILMEMAG-AWEZNQCLSA-N 441.513 4.153 5 20 IIBD C[C@H](O)[C@H]1CCN(C(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C1 509413061 BFVJWKFGYHEJAD-YQMBXKBSSA-N 437.521 4.365 5 20 IIBD CCS[C@@H]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(I)c2C)C1 510070803 KKJVZEQCXZYSMX-WCQYABFASA-N 448.326 4.254 5 20 IIBD O=C(Nc1ccc(F)cc1)N[C@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 512481261 TUXCYXKLHHTOEH-KRWDZBQOSA-N 441.488 4.253 5 20 IIBD COc1cc(C(=O)N[C@H](C)c2nc(C)no2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 512661666 SCBCBNMXRRQUFE-SNVBAGLBSA-N 432.820 4.232 5 20 IIBD CC(C)(C)c1ccc(C(=O)NCCC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 514501734 CCRHVQYWMQEXQV-UHFFFAOYSA-N 435.427 4.252 5 20 IIBD CC(C)COc1cccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1 515676309 DUMOOUBVIYPCSX-UHFFFAOYSA-N 427.486 4.162 5 20 IIBD O=C(Cc1noc(-c2ccccc2Oc2ccccc2)n1)NCc1ccc([N+](=O)[O-])cc1 515709697 FCNWBFKHGLIEPE-UHFFFAOYSA-N 430.420 4.296 5 20 IIBD C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 516486289 XUWUFWUCLLFDOY-CYBMUJFWSA-N 433.892 4.068 5 20 IIBD COc1cc(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c([N+](=O)[O-])cc1OC(F)F 519931693 KQZKWICJGMGHNY-HNNXBMFYSA-N 448.382 4.185 5 20 IIBD COc1cc([C@H](C)N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(C)C 520970458 JOBBPMYNOFGZDF-OXJNMPFZSA-N 427.501 4.094 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 521983591 ALMSJEBXNOYWCM-MRXNPFEDSA-N 437.924 4.260 5 20 IIBD COc1cc(C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)cc([N+](=O)[O-])c1OC 524648475 YJGVGTPVRZRLOM-UHFFFAOYSA-N 435.436 4.425 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)NCCCN3CCCCC3=O)cc2[N+](=O)[O-])cc1 524670717 FOBWNXOBKMPQRJ-UHFFFAOYSA-N 427.526 4.187 5 20 IIBD Cc1ccc(NCCCNC(=O)Nc2ccc(OCC3CCOCC3)cc2)c([N+](=O)[O-])c1 525343369 SGASEJIHHANCQJ-UHFFFAOYSA-N 442.516 4.332 5 20 IIBD Cc1ccc(C(=O)NC2CCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC2)s1 532667697 TXCVZUAVECNIAJ-UHFFFAOYSA-N 440.525 4.057 5 20 IIBD COc1ccccc1[C@H](C)NC(=O)CSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 535506557 DOZVHORCLLIBKA-AWEZNQCLSA-N 427.482 4.369 5 20 IIBD COc1cc([C@@H](C)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)ccc1OC1CCCC1 537051193 NAFRDSIBLOMZKX-MRXNPFEDSA-N 427.501 4.238 5 20 IIBD CC(C)CN(C(=O)[C@H](C)OC[C@H]1CCCO1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 538253528 IFFYFEGFOJNJFY-JKSUJKDBSA-N 433.530 4.291 5 20 IIBD Cc1nn(C)c(C(=O)N[C@H](c2cccc(F)c2)c2cccc(Br)c2)c1[N+](=O)[O-] 539724507 LEYGYYBHOCTKPQ-INIZCTEOSA-N 447.264 4.058 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1nccnc1-c1nc2ccccc2s1 539800645 FGOWXEPTSKIKNK-UHFFFAOYSA-N 439.884 4.287 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H](Cc2ccccc2)c2ccccc2F)cc1 541325841 IBQHQTKKFKPKTP-JOCHJYFZSA-N 428.485 4.081 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCC[C@H]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] 541343260 BOEQKBQAKFRDBR-HOTGVXAUSA-N 442.537 4.483 5 20 IIBD COCC(=O)N1CCc2c(NC(=O)c3cc([N+](=O)[O-])ccc3SCC(C)C)cccc21 541656639 SMKIDJSZNXAQLV-UHFFFAOYSA-N 443.525 4.131 5 20 IIBD CN(C)[C@@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1c(F)cccc1F 542354268 XOKXKOUBOAHWMC-HNNXBMFYSA-N 429.876 4.038 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1nc(-c2ccc(Cl)cc2)no1 543118886 CBRUFFFFLHRDEX-UHFFFAOYSA-N 439.280 4.360 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1 543177966 MUQDPJKUOMQDCJ-INIZCTEOSA-N 436.468 4.138 5 20 IIBD C[C@@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)Oc1ccccc1Br 543481089 RZDRZFICDMXORG-RYUDHWBXSA-N 425.254 4.184 5 20 IIBD COc1cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)ccc1NC(=O)c1cccnc1 544618100 YEXQEVLPWIOVBI-UHFFFAOYSA-N 425.376 4.034 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 544725497 ILGXVAQGUDGATP-UHFFFAOYSA-N 426.947 4.335 5 20 IIBD O=C(c1ccccc1)N(Cc1noc(-c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1)C1CC1 545731415 YTFAQOFALXEUJX-UHFFFAOYSA-N 432.358 4.468 5 20 IIBD O=[N+]([O-])c1cccc(Oc2ccc(-c3noc(-c4cn(Cc5ccccn5)nn4)n3)cc2)c1 547178158 IBBGDDYYQDFPII-UHFFFAOYSA-N 441.407 4.139 5 20 IIBD CC(=O)NCCN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1CCSCC1 549448909 PWLFYQDMEHWHOB-UHFFFAOYSA-N 437.949 4.342 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@@H]2CCCCC[C@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] 551733452 CXMXUNRNOMNFAM-ZWKOTPCHSA-N 445.903 4.428 5 20 IIBD CC(C)(NC(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1)c1ccccc1[N+](=O)[O-] 554064231 HSCPWLWFKWCARG-UHFFFAOYSA-N 425.466 4.041 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 554409832 SMNOHZAAXCEADE-JFIYKMOQSA-N 433.411 4.233 5 20 IIBD CC(=O)CCc1ccc(OC[C@H](O)COc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1 555545710 JBSJAOOVZDAGOB-HNNXBMFYSA-N 428.268 4.242 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 560217318 PCCFXFUZIFHWSZ-VIFPVBQESA-N 444.435 4.184 5 20 IIBD CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])c1 562869027 AHJUZOUKFUTXJD-UHFFFAOYSA-N 440.481 4.061 5 20 IIBD CCC(CC)(CC)S(=O)(=O)Cc1cc(I)cc([N+](=O)[O-])c1 571729114 RTIMTICQWZAKTN-UHFFFAOYSA-N 425.288 4.083 5 20 IIBD C[C@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)[C@H]1OCCc2sccc21 581088767 FFDLGCUGKXKYII-KPWVOAKYSA-N 440.471 4.453 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)[C@H](C)c1ccccc1C(F)(F)F 582390611 QFRNZZNLCQNSED-QWHCGFSZSA-N 437.418 4.423 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(-c4nc[nH]n4)cc3F)cc2[N+](=O)[O-])C1 584748213 UJHLYXPOGOQKHB-OKILXGFUSA-N 438.463 4.254 5 20 IIBD CN1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 588824691 KVBFEUNWGINTBD-IBGZPJMESA-N 433.593 4.226 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(C(C)(C)C)cc1 603508757 AIHDMWWRMXBGLX-FQEVSTJZSA-N 443.569 4.060 5 20 IIBD O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 603837961 ZFFAJPWMAFEPFA-UHFFFAOYSA-N 434.481 4.243 5 20 IIBD O=C(NCc1ccc(CN2CCCC2=O)cc1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 604015386 VXJLXJKXTCUWRT-UHFFFAOYSA-N 445.475 4.440 5 20 IIBD CCc1cc(N2CCO[C@@H](c3ccc(F)c(F)c3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 608974392 ZDYFRIWHZDFERN-HXUWFJFHSA-N 426.423 4.470 5 20 IIBD CC(=O)N(Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(C)C 609725887 GAJCEFBESJYQHG-AWEZNQCLSA-N 433.892 4.411 5 20 IIBD O=C(Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)c1ccc([N+](=O)[O-])cc1 609755797 UHVDTDNCMJUJIJ-UHFFFAOYSA-N 432.404 4.099 5 20 IIBD Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 609836590 OCGUEBCQPTYDLE-HNNXBMFYSA-N 443.916 4.402 5 20 IIBD CCOc1cc(-c2ccccc2)sc1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 609837715 CBRWKOBTHZGGOH-INIZCTEOSA-N 438.509 4.444 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2sc(Br)cc2C1 610935102 PLYBLCXIFJLSIJ-SNVBAGLBSA-N 427.345 4.484 5 20 IIBD CN(Cc1nc2ccccc2n1C)C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 618834411 DMBIFSKNKRANSR-UHFFFAOYSA-N 430.464 4.333 5 20 IIBD COc1ccc(CC[C@@H]2CCCCN2C(=O)COc2ccc([N+](=O)[O-])c(F)c2)cc1OC 726150419 MIYYKPVXWIMIIG-KRWDZBQOSA-N 446.475 4.144 5 20 IIBD O=C(Nc1ccccc1N1CCOC1=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 726534863 PKYFDBGUTVZSIJ-UHFFFAOYSA-N 432.436 4.416 5 20 IIBD CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 727712392 VGGNESDPLRNIRJ-UHFFFAOYSA-N 445.884 4.326 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCC[C@@H](C4OCCO4)C3)cc2[N+](=O)[O-])cc1 728077208 PVZQANWOWKOTSV-QGZVFWFLSA-N 428.510 4.280 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)N2c3ccccc3CC[C@H]2C)cc1SC 728649641 OIHWMBJUNGYDMG-KGLIPLIRSA-N 444.509 4.239 5 20 IIBD COc1ccccc1[C@H](C)CC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 728660501 BELVCPLKQCVRDE-GFCCVEGCSA-N 440.374 4.298 5 20 IIBD COCCOc1ccc(C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 731960254 ZLHMYPXDXLPLOC-UHFFFAOYSA-N 436.420 4.092 5 20 IIBD CCNC(=O)c1ccccc1NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 736003289 XBRIKGXNRBDROV-UHFFFAOYSA-N 448.266 4.089 5 20 IIBD CCOc1cc(NC(=O)[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1OCC 739500356 VXSLSSLIZXZYMW-ZIAGYGMSSA-N 437.493 4.024 5 20 IIBD COc1ccccc1-c1nn(C)cc1C(=O)OCc1ccc([N+](=O)[O-])cc1Br 740664703 NDBCAXHJNFVLMU-UHFFFAOYSA-N 446.257 4.123 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSCc1nnc(-c2cccc(F)c2)o1 742970752 IRJSIRXQIGCEDW-UHFFFAOYSA-N 430.417 4.015 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(Cn3nc4sc5ccccc5n4c3=S)CC2)cc1 743390006 FUHWZNYTSPJSTA-UHFFFAOYSA-N 441.538 4.489 5 20 IIBD CCOC(=O)c1nc(-c2ccccc2)oc1COC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1 744824418 CURKOUQFGUEDMA-UHFFFAOYSA-N 435.392 4.265 5 20 IIBD COC(=O)c1cc(C(=O)O[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc([N+](=O)[O-])c1 746058289 NFJPUCNBNHAVSY-SNVBAGLBSA-N 431.788 4.003 5 20 IIBD C[C@@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(-c2ccncc2)cc1 746427099 RBYIXJDGISNZDN-GOSISDBHSA-N 431.496 4.250 5 20 IIBD C[C@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 747961015 CQBNMJRASZSNSB-QHLBIMPKSA-N 443.525 4.205 5 20 IIBD Cc1ccc([C@@H](NC(=O)COC(=O)Cc2cccc([N+](=O)[O-])c2C)c2cccs2)cc1 748472384 SHFVPCGGSNULFK-HSZRJFAPSA-N 438.505 4.265 5 20 IIBD Cc1c(C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 748732266 HYRISOQCBDIFBZ-UHFFFAOYSA-N 441.444 4.472 5 20 IIBD CCc1nc2ccc(C(=O)OCC3CCN(c4ccc([N+](=O)[O-])cn4)CC3)cc2nc1CC 750433688 NCDZORQSTDNWBC-UHFFFAOYSA-N 449.511 4.131 5 20 IIBD Cc1cc(=O)oc2cc(OCCOC(=O)c3ccc(Br)cc3[N+](=O)[O-])ccc12 750963894 JIMWINJOUKNRLN-UHFFFAOYSA-N 448.225 4.008 5 20 IIBD Cc1csc(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1Br 753645392 KVYPXIBEMRGEKU-JTQLQIEISA-N 427.276 4.220 5 20 IIBD O=C(Nc1cccc(CCC(F)(F)F)c1)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 753715610 WHZAECBJXOIAQV-UHFFFAOYSA-N 441.318 4.021 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Br)N(Cc1ccc(F)cc1)C1CCOCC1 756785894 ZDZZRKQDFQNQTL-UHFFFAOYSA-N 437.265 4.318 5 20 IIBD O=C(NCc1cccc(COCC(F)(F)F)c1)c1cccc([N+](=O)[O-])c1Br 758857541 ZNTDFNIIKLFVGR-UHFFFAOYSA-N 447.207 4.366 5 20 IIBD CC1CCN(c2ccc(C(=O)NC3CCC(O)(c4ccccc4)CC3)cc2[N+](=O)[O-])CC1 760715505 PSJWDSZKOUHVGA-UHFFFAOYSA-N 437.540 4.391 5 20 IIBD Cc1cc(=O)n(CC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)cc1[N+](=O)[O-] 761861269 RQUILTKHUDMFNL-UHFFFAOYSA-N 425.055 4.317 5 20 IIBD O=C(Nc1cccc(Cl)n1)c1cc(C(=O)Nc2cccc(Cl)n2)cc([N+](=O)[O-])c1 763491841 QFIXOPCPXSFOSZ-UHFFFAOYSA-N 432.223 4.196 5 20 IIBD CCOC(=O)Nc1ccc(Br)cc1NC(=O)c1cc([N+](=O)[O-])ccc1F 764539022 SAABUYNGGHYMGB-UHFFFAOYSA-N 426.198 4.317 5 20 IIBD Cc1nn(CN2CCO[C@@H](c3cccc(Br)c3)C2)c2ccc([N+](=O)[O-])cc12 764947300 RWKXMMMIGCATNE-LJQANCHMSA-N 431.290 4.046 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C)C(=O)Nc1cc(Cl)ccc1OC 765523141 CUBPVUYPBHBHGD-UKRRQHHQSA-N 434.876 4.396 5 20 IIBD Cc1ccc(N(Cc2cccs2)C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)cc1 766391778 DPCRXOVNHAKZMQ-UHFFFAOYSA-N 449.488 4.465 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CCC[C@H]1c1cc(F)cc(Br)c1 767504835 VDAUETJQVDUJQJ-HNNXBMFYSA-N 436.237 4.199 5 20 IIBD Cc1cc(=O)c(C(=O)O[C@@H](C)CCSc2ccccc2)nn1-c1ccccc1[N+](=O)[O-] 769952130 QMUBYRQYLVQNOJ-INIZCTEOSA-N 439.493 4.177 5 20 IIBD Cc1ccc(C)n1-c1nc(CC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cs1 770331527 WTGWWMMYAQFNJB-UHFFFAOYSA-N 435.303 4.403 5 20 IIBD C[C@H](Cc1ccncc1)Nc1ccc([N+](=O)[O-])c(N[C@H](C)Cc2ccncc2)c1[N+](=O)[O-] 771163057 KCFCADLATWDULN-HZPDHXFCSA-N 436.472 4.379 5 20 IIBD COC(=O)c1cccc(COC(=O)c2cc([N+](=O)[O-])ccc2Sc2nc(C)cs2)n1 773364067 SCSFMCYEKVBEDB-UHFFFAOYSA-N 445.478 4.050 5 20 IIBD CC(C)(C)OC(=O)N1CCc2ncc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2C1 774015996 CYTYTSPGZAEWGF-UHFFFAOYSA-N 432.864 4.189 5 20 IIBD O=[N+]([O-])c1cc(Cl)c2c(cnn2CN2CCO[C@H](c3cccc(OC(F)F)c3)C2)c1 774637773 DAJGVLXFYUZYIB-KRWDZBQOSA-N 438.818 4.230 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Oc1cccc(NC(=O)c2cnn(C)c2)c1 775245059 NILZOUZDLFHYKX-UHFFFAOYSA-N 440.481 4.300 5 20 IIBD CN(CC1(c2ccc(Br)cc2)CC1)C(=O)c1cc([N+](=O)[O-])c2nsnc2c1 778288462 DNKFOXQVFCLFSI-UHFFFAOYSA-N 447.314 4.166 5 20 IIBD O=[N+]([O-])c1ccc(CCc2nc(-c3cccc(OCc4cccnc4)c3)no2)c([N+](=O)[O-])c1 781614116 KEEYHNZNOTZKEO-UHFFFAOYSA-N 447.407 4.312 5 20 IIBD Cc1cc(=O)c(C(=O)O[C@H](C)c2cccc(OC(C)C)c2)nn1-c1ccccc1[N+](=O)[O-] 781674418 PRSYHNHEWBNRDQ-MRXNPFEDSA-N 437.452 4.154 5 20 IIBD CC1(NC(=O)OC(C)(C)C)CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 782022688 YSNLFHWFAGNQGW-UHFFFAOYSA-N 444.435 4.107 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)O[C@@H](c2ccncc2)c2cccc(OC)c2)cc1OC 782456380 MWRAYUXGITWAPN-QFIPXVFZSA-N 438.436 4.352 5 20 IIBD O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1ccccc1C(=O)c1ccccc1 783364850 JVICGIHHDGHFFH-UHFFFAOYSA-N 445.475 4.294 5 20 IIBD CN1CCCN(c2ccc(NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 783912903 NQVAZLZLXNIERC-UHFFFAOYSA-N 434.949 4.121 5 20 IIBD O=C(CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)OCCN1C(=O)CCC1=O 785640268 GEBRXQJMSHVEAI-UHFFFAOYSA-N 427.456 4.239 5 20 IIBD COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Oc1ccc([N+](=O)[O-])c(Cl)c1 786843798 PNHQWMPBYVBYFR-SNVBAGLBSA-N 436.269 4.083 5 20 IIBD Cc1ccncc1/C=C/C(=O)O[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 786923644 QCYCUBYZBANTGS-UZYOAWRESA-N 438.465 4.005 5 20 IIBD C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1Br 790199693 CAPMDOWSZOHHSB-GFCCVEGCSA-N 448.273 4.147 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@H]1CCN(c2ccc(Cl)cc2)C1 790577561 XJWXQKUGYGRUBZ-GFCCVEGCSA-N 426.275 4.226 5 20 IIBD C[C@@H]1CCN(CCOc2ccc(NC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])cc2)C1 790822095 NMCFAOVXYMWMKD-CQSZACIVSA-N 435.883 4.289 5 20 IIBD CC[C@@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C 790904948 LRNQJXSSXFDHEW-MLGOLLRUSA-N 443.903 4.082 5 20 IIBD CC(C)(Oc1ccc(Cl)cc1)C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 792471318 SKHIZPYAAFDHAC-UHFFFAOYSA-N 427.240 4.241 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)Nc1ccc(Cl)cc1C(F)(F)F 795710814 HNCWVSAGFQIRSK-UHFFFAOYSA-N 446.765 4.461 5 20 IIBD O=C(COC(=O)Cc1csc2ccc(Br)cc12)Nc1ccccc1[N+](=O)[O-] 795884099 REJHQELBZPWNML-UHFFFAOYSA-N 449.282 4.296 5 20 IIBD CC[C@](O)(C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(Cl)c1 800320033 QAGJVZODWOCHRS-MPBGBICISA-N 431.832 4.200 5 20 IIBD CCOc1cccc2cc([C@@H](C)NC(=O)C(=O)Nc3c(F)ccc([N+](=O)[O-])c3C)oc12 800595477 FWQTUQDUMFFUFT-GFCCVEGCSA-N 429.404 4.003 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCC(=O)c1ccc(C(F)(F)F)cn1 805570347 XLQMBTXTDCBMBM-UHFFFAOYSA-N 447.163 4.119 5 20 IIBD CC[C@@H]1[C@H](c2nc(Cc3ccc([N+](=O)[O-])c(OC)c3)no2)CCN1C(=O)OC(C)(C)C 810303023 STGYXBGBQSOSNS-HUUCEWRRSA-N 432.477 4.080 5 20 IIBD COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)OC[C@H](C)[N+](=O)[O-])s1 813104068 JLOILBCFZIFSIM-AWEZNQCLSA-N 427.482 4.313 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)C1 814429978 ZOTMWFPUNJEVAO-WOJBJXKFSA-N 445.560 4.413 5 20 IIBD CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F 815175068 ASACSRDWEVMVSU-IBGZPJMESA-N 436.386 4.193 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CC[C@@H](Sc2cccc(Cl)c2)C1 817058236 KWTYLJJFQPOBGQ-GOSISDBHSA-N 447.944 4.092 5 20 IIBD O=[N+]([O-])c1cccc(Br)c1CNc1cc(Cl)ccc1N1CCOCC1 863989654 UZMPVAJAXFXUGN-UHFFFAOYSA-N 426.698 4.459 5 20 IIBD COc1ccc([C@@H]2NC(=O)c3cc(F)c(F)cc3N2)cc1OCc1ccc([N+](=O)[O-])cc1 877858603 IZVPLOLPJXIVAC-NRFANRHFSA-N 441.390 4.315 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(F)cc1 900676604 GOXYCIBVGWDFLV-UHFFFAOYSA-N 436.395 4.069 5 20 IIBD COc1ccc(-c2noc(-c3cc([N+](=O)[O-])cc(I)c3C)n2)cc1 904360823 VZKFLZFYJFTWBX-UHFFFAOYSA-N 437.193 4.233 5 20 IIBD C[C@H](OC(=O)c1cccc(Nc2ncccn2)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 914627223 KHCWUUQUJHSRRX-ZDUSSCGKSA-N 432.396 4.096 5 20 IIBD C[C@@H](Oc1ccccc1Cl)C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 914640335 GUDXQKNUTFNXGR-SNVBAGLBSA-N 446.765 4.216 5 20 IIBD COc1cc(CNCc2ccc(-n3ccnc3)nc2)ccc1OCc1ccc([N+](=O)[O-])cc1 915227812 CVNXJFWBPNWDCJ-UHFFFAOYSA-N 445.479 4.053 5 20 IIBD CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 915521940 OXQTVQZOXYFSQJ-UHFFFAOYSA-N 438.484 4.373 5 20 IIBD C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 917069437 SIXUDYILRQMFAC-SNVBAGLBSA-N 444.702 4.332 5 20 IIBD Cc1c(C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 917341466 BKOMFNQEVLEHBT-UHFFFAOYSA-N 441.419 4.045 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(N2CCOC2=O)cc1 918384822 GDYMYZAZMKSSEI-UHFFFAOYSA-N 438.362 4.011 5 20 IIBD O=C(NCCOC(=O)C(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1Cl 920149471 ZFHBAWHMRDZOLB-UHFFFAOYSA-N 438.867 4.353 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c2c(C(C)C)noc2n1 920895255 CMDGXVYEZVIYDD-UHFFFAOYSA-N 432.820 4.012 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCCC2 921277285 WGJBOSIZYJOBAN-OAHLLOKOSA-N 443.525 4.005 5 20 IIBD O=C(Nc1cccc(-c2cn3c(n2)CCCC3)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 921282165 ANODZWUQXNWXFS-UHFFFAOYSA-N 428.452 4.233 5 20 IIBD COc1cc(CNc2ccc(N3CCCC3=O)c(C)c2)c([N+](=O)[O-])cc1OCC(F)F 1116498426 MHZRSBKFEUWDIR-UHFFFAOYSA-N 435.427 4.295 5 20 IIBD Nc1c(C(=O)NC[C@@H](c2ccccc2)C(F)(F)F)cc(Br)cc1[N+](=O)[O-] 1116938358 QKSPQYKSTKVEQC-LBPRGKRZSA-N 432.196 4.015 5 20 IIBD COc1ccc(CSCC(=O)OCc2sccc2Br)cc1[N+](=O)[O-] 1263626041 JHIKRUQNOCRRMZ-UHFFFAOYSA-N 432.317 4.404 5 20 IIBD COc1cc(-c2nnc([C@@H](C)CN3CCC(C)CC3)o2)c([N+](=O)[O-])cc1OC(F)F 1322538604 UEAXXYBVBQJFMZ-LBPRGKRZSA-N 426.420 4.090 5 20 IIBD O=C(NCC(F)(F)F)[C@@H]1CCN(Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 1324233690 JAVWMXNWFDWVOL-LLVKDONJSA-N 431.798 4.009 5 20 IIBD O=C(Cn1c(=O)oc2ccccc21)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 1334243822 RDNOEVLTFWEOBX-UHFFFAOYSA-N 427.463 4.354 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 1339155223 ODCMEVYTXOCMLO-UHFFFAOYSA-N 439.493 4.004 5 20 IIBD CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 1520129630 QXSPNCCBDXKONH-LJQANCHMSA-N 434.443 4.182 5 20 IIBD CC1(C(=O)Nc2ccc(C3(NC(=O)c4nc5cc([N+](=O)[O-])ccc5[nH]4)CCC3)cc2)CCC1 1785814196 ZMGISOBUQPWZNT-UHFFFAOYSA-N 447.495 4.409 5 20 IIBD C[C@]1(C(=O)Nc2ccc(C3(NC(=O)c4ccc(O)c([N+](=O)[O-])c4)CCC3)cc2)CC1(F)F 1792246617 GFIUPIISGPHZBY-HXUWFJFHSA-N 445.422 4.093 5 20 IIBD Cc1c(F)cccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C2 1792759511 KHEBNONTPZNQCT-UNGCYLFBSA-N 437.471 4.008 5 20 IIBD Cc1ccc(CC(=O)N2CCC3(CCCN(C(=O)C4CCCCC4)C3)CC2)cc1[N+](=O)[O-] 1808972608 BWNZSXOWHKDWBZ-UHFFFAOYSA-N 441.572 4.257 5 20 IIBD CCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)n[nH]1 1814969340 GJYSGCVAHZIJDN-DZZUKKPASA-N 429.477 4.053 5 20 IIBD O=C(c1ccsc1)N1CCC([C@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1823679316 FVIBZDDBBMPTMV-OAQYLSRUSA-N 441.553 4.132 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@]2(C)C[C@@H]2C)CC1 1830223357 IIHNTXIYTXQNAR-IJHUGTEESA-N 445.535 4.322 5 20 IIBD C/C=C/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cc(F)ccc2[N+](=O)[O-])CC1 1832888129 FXXUWDDGAKSXKD-AXVWPGNMSA-N 443.519 4.028 5 20 IIBD C[C@@H]1C[C@]1(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1832905294 VHLAHDWHYVETND-ZWZQWCOVSA-N 439.556 4.274 5 20 IIBD CC(C)Cn1c(SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])nnc1-c1ccco1 9567216 WBTIEYXDFVOPQW-UHFFFAOYSA-N 435.893 4.487 5 20 IIBD COc1ccccc1COC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 9947907 HLWNBWCQNDMMHR-UHFFFAOYSA-N 434.448 4.257 5 20 IIBD O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1cccc(N2CCCC2=O)c1 10084289 XZVIZXRQKAYFTB-UHFFFAOYSA-N 428.495 4.062 5 20 IIBD Cc1nc2ccccc2cc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 10465382 RMJWLZXZYGVKLY-UHFFFAOYSA-N 433.342 4.266 5 20 IIBD CN(C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)c1ccc([N+](=O)[O-])cc1 11452663 PLDYLLSCTJGIAD-UHFFFAOYSA-N 439.541 4.443 5 20 IIBD CCc1cccc(NC(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 16640018 RYBMMRJCCKJHMI-UHFFFAOYSA-N 426.450 4.177 5 20 IIBD C[C@H](OC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 16685661 ZVZCLFYGWHRPQB-NSHDSACASA-N 439.384 4.045 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)N(C)Cc2ccc(Br)s2)cc1[N+](=O)[O-] 20004546 MNFRMEJUNBDQBP-UHFFFAOYSA-N 439.740 4.201 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)N(C)Cc1c(F)cccc1Cl 22496559 QIAXZELFRNUIHN-JTQLQIEISA-N 429.231 4.245 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCSc1nnc(-c2c[nH]c3ccccc23)o1 26363139 MRYSOQMSDYPVPV-UHFFFAOYSA-N 439.453 4.256 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 29905802 VMDFGAUSPKBJCU-UHFFFAOYSA-N 438.463 4.037 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] 30255553 BQWOKDWCJGGZSH-UHFFFAOYSA-N 428.464 4.021 5 20 IIBD COc1cc([C@H](C)NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)ccc1OCC(C)C 32243607 HFXGBECXJJAHPY-INIZCTEOSA-N 438.484 4.315 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCc2sccc2[C@H]1c1cccs1 32407966 QARGHXPYQGPSLN-SFHVURJKSA-N 436.536 4.063 5 20 IIBD O=C(c1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 60507967 UQLWFZUHUPOHEO-UHFFFAOYSA-N 443.308 4.185 5 20 IIBD Cc1c(C(F)(F)F)n[nH]c1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 60578655 NFCSARGXFMMBOQ-UHFFFAOYSA-N 425.289 4.105 5 20 IIBD Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NCCc1ccc([N+](=O)[O-])cc1 64778976 NDXKQONNYIYCDA-UHFFFAOYSA-N 443.301 4.132 5 20 IIBD O=C([C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)N1CCc2ccc([N+](=O)[O-])cc21 71881075 LFNBGEAXLJJUJH-KRWDZBQOSA-N 434.279 4.096 5 20 IIBD CC(C)C[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 72085616 WXOSSIWWGYUWFE-GOSISDBHSA-N 437.418 4.247 5 20 IIBD O=C(Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 78721261 MMVJAELAJVOSDW-HNNXBMFYSA-N 446.492 4.157 5 20 IIBD Cc1c(Oc2nc(CN3CCOCC3)nc3sc4c(c23)CCCC4)cccc1[N+](=O)[O-] 301067170 GEDBOTPRHBXWLX-UHFFFAOYSA-N 440.525 4.411 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCCc3ccc(C)nc3)c([N+](=O)[O-])c2)c(C)c1 301285775 VIPLXHPVEWYCCL-UHFFFAOYSA-N 440.525 4.370 5 20 IIBD COc1cc(NC2CCN(c3cc(C)nc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)cc(OC)c1 301515621 BRYFWNKARICHAI-UHFFFAOYSA-N 449.511 4.458 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)s1 301923541 FVMCPNRISQDULK-SNVBAGLBSA-N 437.326 4.024 5 20 IIBD Cc1c(C(=O)Nc2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cccc1[N+](=O)[O-] 302993593 WUQQHUZTNLUJJG-UHFFFAOYSA-N 444.535 4.473 5 20 IIBD O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CCC(O)(C(F)F)CC1 428662475 DRVSGSHGTNBBPN-UHFFFAOYSA-N 439.846 4.093 5 20 IIBD O=[N+]([O-])c1ccc(N[C@@H]2CCN([C@H](c3ccccc3)c3nc(-c4ccccc4)no3)C2)nc1 430026706 QSTKBYLABXCSMP-DENIHFKCSA-N 442.479 4.316 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nnc([C@H]2CCCc3ccccc32)s1 432534546 LFJDVTUMVKSBKM-HNNXBMFYSA-N 430.511 4.024 5 20 IIBD CC(C)NC(=O)Cc1ccc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc1 436108141 XJHDDKKFIHZTAU-UHFFFAOYSA-N 449.457 4.279 5 20 IIBD C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] 436402328 VTPHYWMLVRBJOC-CYBMUJFWSA-N 437.422 4.438 5 20 IIBD Cc1c(NC(=O)C(=O)Nc2cccc(COCCOc3ccccc3)c2)cccc1[N+](=O)[O-] 437069388 QMLFZBZKYMWEAV-UHFFFAOYSA-N 449.463 4.076 5 20 IIBD CCOC(=O)[C@@H](C)NC(=O)c1ccc(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 437245178 IVMVUAHUVKAFAM-OAHLLOKOSA-N 437.452 4.148 5 20 IIBD Cc1cc(NC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nn1C 439603837 YCOQYKINPKRRAM-UHFFFAOYSA-N 436.415 5.059 5 20 IIBD CCN(CC)CCN(CCC(F)(F)F)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 444230855 ABFTUTPXRZHXER-UHFFFAOYSA-N 433.474 4.418 5 20 IIBD COc1ccc(C2(NCc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CCOCC2)cc1F 444818229 RPEQEZPMFTYXIN-UHFFFAOYSA-N 427.432 4.193 5 20 IIBD COc1ccc(NC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c(OCc2ccccc2)c1 445162045 WATPGYUHHLLWLE-UHFFFAOYSA-N 447.451 4.380 5 20 IIBD CC(C)(CNC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc(Br)cc1 445264948 MLGNGMJQXPHWEE-UHFFFAOYSA-N 446.305 4.011 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N(Cc1cccc(-c2cccnc2)c1)C1CC1 446906365 NGDICOJNWVMIKR-UHFFFAOYSA-N 442.479 4.407 5 20 IIBD C[C@@H]1C[C@H](c2cccc(F)c2)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 447015100 FIYMNPITYBIXEI-BDJLRTHQSA-N 443.294 4.268 5 20 IIBD O=C(Nc1ccc(F)cc1)c1ccc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 447588966 WPNDOWBITGGTLC-LEWJYISDSA-N 437.475 4.456 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(Oc2c(OC)cccc2OC)CC1 462433477 ZNVHMSXQYFUPNI-GOSISDBHSA-N 442.512 4.251 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCCN(Cc2ccc(F)cc2)CC1 463343572 DBOXAXUBNZSPDT-UHFFFAOYSA-N 425.382 4.101 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1CC[C@H](n2cccn2)C1 463445911 ROAWQRUCJUHLTP-PXNSSMCTSA-N 425.876 4.072 5 20 IIBD NC(=O)[C@H](NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 463752752 ZZSAHXKBHRQXFZ-HXUWFJFHSA-N 429.835 4.496 5 20 IIBD CNC(=O)[C@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 466539526 LTDRWPBROKXDMM-JKSUJKDBSA-N 433.917 4.044 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 467990047 ZAWHJBSVYBQTIW-UHFFFAOYSA-N 439.859 4.260 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N(CCC(F)(F)F)CC(F)(F)F 468516898 QLJXMHLXXAPQBY-UHFFFAOYSA-N 437.134 4.243 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NCCc1ncc[nH]1 468928800 IUICSIBTOXAXOT-SSZFMOIBSA-N 433.493 4.217 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cccc(C)c2Br)ccc1[N+](=O)[O-] 470147708 QEYKVDKBTLBGFD-QGZVFWFLSA-N 446.301 4.217 5 20 IIBD CC(C)n1c([C@@H]2CCCN2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)nc2ccccc21 471023736 VRZYIOCBSOPRAB-QFIPXVFZSA-N 433.512 4.252 5 20 IIBD CCc1ccc(C(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)cc1[N+](=O)[O-] 471799911 PKSZKABSHBVZTE-UHFFFAOYSA-N 436.295 4.062 5 20 IIBD COc1c(C(=O)Nc2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)ccc2C)cccc1[N+](=O)[O-] 474971601 NUFSERXEEYODSI-GJZGRUSLSA-N 425.485 4.282 5 20 IIBD COc1ccc(NC(=O)c2cc(I)c(C)cc2C)c([N+](=O)[O-])c1 476859997 YUYUTRAJCOVITO-UHFFFAOYSA-N 426.210 4.077 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](C)c1ccc(Br)cn1 477806915 QUSKUHUZPWOCFT-NXEZZACHSA-N 428.670 4.050 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)cc1[N+](=O)[O-] 478221081 BDKOYTWJTONVLN-RHSMWYFYSA-N 441.488 4.080 5 20 IIBD CCCC(=O)Nc1ccc(Cl)c(NCC(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])c1 478941694 VQMXGCJFQRCTRS-UHFFFAOYSA-N 434.880 4.436 5 20 IIBD Cc1cc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3n2C(C)C)ccc1[N+](=O)[O-] 481437016 PBNBWRYCWJZELS-HXUWFJFHSA-N 428.514 4.360 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 484947087 OJZHEAGFKPWLNB-QZTJIDSGSA-N 445.972 4.321 5 20 IIBD CCCOc1cc(NC(=O)C(=O)N(C)[C@H]2CCC(C)(C)C2)c([N+](=O)[O-])cc1OCCC 485237535 GCWLIOLZFNKWDD-HNNXBMFYSA-N 435.521 4.148 5 20 IIBD COc1ccc([C@@H](CNC(=O)c2cccc(SC)c2[N+](=O)[O-])N2CCCCC2)cc1 485740954 CBXHQTMOXMFXQD-LJQANCHMSA-N 429.542 4.282 5 20 IIBD COC(=O)c1c(Br)ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c1C 486285375 QYXVLACBXBMTGE-SECBINFHSA-N 439.237 4.334 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)C2CCCCC2)CC1 486537422 RGBJCZCRRATNLF-UHFFFAOYSA-N 433.574 4.208 5 20 IIBD C[C@H](Oc1ccccc1Br)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 486705065 HMOBAFAJKRNQMH-JTQLQIEISA-N 447.207 4.460 5 20 IIBD O=C(Nc1ccc(Cl)cc1Br)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 488890937 AQWVAXSSIRPKBC-UHFFFAOYSA-N 428.674 4.076 5 20 IIBD O=C(CSc1ncnc2c1cnn2-c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 489829071 KLWZPHNSQLWIPL-UHFFFAOYSA-N 425.857 4.352 5 20 IIBD Cc1nc2[nH]c(S[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])nc2cc1Br 489834766 QRBSCJJAPDLRRT-SECBINFHSA-N 436.291 4.056 5 20 IIBD O=C(N[C@@H]1CCOC2(CCOCC2)C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 491922329 UCBREYNLYOCGGY-MRXNPFEDSA-N 428.510 4.204 5 20 IIBD COc1ccc([C@@H](NC(=O)c2c([N+](=O)[O-])c(C)nn2C)c2ccc(C(F)(F)F)cc2)cc1 492162098 UNWAZDLLAICXJD-KRWDZBQOSA-N 448.401 4.184 5 20 IIBD COc1cc(CNCc2nnc(-c3ccccc3)s2)c([N+](=O)[O-])cc1OCC(F)F 493707296 OJOSZCXPLONZAO-UHFFFAOYSA-N 436.440 4.056 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NC2CCN(C(C)C)CC2)cc1[N+](=O)[O-] 497504867 DGKNNWSTBQKXJL-UHFFFAOYSA-N 441.553 4.150 5 20 IIBD Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 497513737 SDAZTZZSDHZETA-MDOVXXIYSA-N 425.533 4.394 5 20 IIBD CSc1ccc(C(=O)N[C@H](CC(=O)O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 497626232 AGVBQVXKVCQYJB-CYBMUJFWSA-N 439.287 4.025 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@H](C)c3cn(C)nc3C)c([N+](=O)[O-])c2)c(C)c1 498932263 XGZMEIYWYNIXGF-OAHLLOKOSA-N 443.529 4.227 5 20 IIBD C[C@H]1CCC[C@H](OCCCCCC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 499849852 ZIVKBBIJAAMOBN-UGKGYDQZSA-N 445.560 4.035 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCOC[C@@H]1c1nc2ccccc2s1 500660984 CWUJTELWDVCTPL-OAHLLOKOSA-N 448.298 4.181 5 20 IIBD CCCN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H](C)CC(=O)Nc1ccccc1 500691525 ZPABYNOVONVSFI-AWEZNQCLSA-N 435.427 4.466 5 20 IIBD O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 501606469 NTAZGQQRDFKWHD-GOSISDBHSA-N 442.472 4.146 5 20 IIBD CCOc1ccc([C@H](C)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)cc1[N+](=O)[O-] 504893203 CXFNGXKTYIDWAS-DLBZAZTESA-N 430.524 4.296 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 505792218 CRSTUMRKSPIXAZ-MRXNPFEDSA-N 433.574 4.208 5 20 IIBD C[C@H](NC(=O)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1)c1cccc([N+](=O)[O-])c1 506822764 RSVXGVRABKETKR-CVEARBPZSA-N 433.468 4.364 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 508037739 ACZRTJIDNMMRLB-OAHLLOKOSA-N 447.944 4.104 5 20 IIBD Cc1nn(CCC(=O)N2CCC(C)(c3ccc(Br)cc3)CC2)c(C)c1[N+](=O)[O-] 508370381 UVBORGOXNLLEPA-UHFFFAOYSA-N 449.349 4.141 5 20 IIBD COc1cc(CN2CCC[C@@H]2c2nc3ccccc3n2C)c([N+](=O)[O-])cc1OC(F)F 510402600 BFDRUDBZRLTPLV-MRXNPFEDSA-N 432.427 4.429 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 511722641 WYLXKHKGKOHHNU-INIZCTEOSA-N 433.333 4.418 5 20 IIBD CCOc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)c2c[nH]c3ccccc23)cc1OC 512700784 BZNWISAYPDBOQA-GOSISDBHSA-N 448.479 4.373 5 20 IIBD COc1ccc(-c2ccc(C)c(NC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)c2)cn1 512934721 WACYLPZYGUJDPX-UHFFFAOYSA-N 429.436 4.412 5 20 IIBD COc1ccc(CNc2cccc(N3CCNC3=O)c2)cc1OCc1ccc([N+](=O)[O-])cc1 513581769 ARSVXLZBHXJWIS-UHFFFAOYSA-N 448.479 4.324 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 514545864 BVYBQJATVBMQAS-HXUWFJFHSA-N 439.855 4.101 5 20 IIBD COCCOc1cccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1 515634921 VKWSKRJROYWJEV-CALCHBBNSA-N 427.501 4.355 5 20 IIBD O=C(NC[C@H]1CCCO1)c1cccc(CNC(=O)c2cc3ccccc3c3cccnc23)c1 516373333 PYGPZCKFPGBWCM-OAQYLSRUSA-N 439.515 4.227 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCn2c(cc3ccccc32)C1 519726817 NIMBCHKSSSCUNS-UHFFFAOYSA-N 425.510 4.334 5 20 IIBD Cc1nn(CCc2nc(-c3ccc(Cn4cnc5ccccc54)cc3)no2)c(C)c1[N+](=O)[O-] 520291618 FKUSSPFROINHJZ-UHFFFAOYSA-N 443.467 4.099 5 20 IIBD CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 521573435 PADKIPLIAYPFPU-UHFFFAOYSA-N 430.936 4.052 5 20 IIBD COc1ccc(-c2nc(C)c(C(=O)N3CCc4c3cccc4[N+](=O)[O-])s2)cc1OC 523132493 CNKZHSKHHBRRLN-UHFFFAOYSA-N 425.466 4.247 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N[C@H](c1ccccc1)[C@H]1CCCO1 523242945 FHKFHQPTXLQRGL-FGZHOGPDSA-N 445.541 4.102 5 20 IIBD CCOCCCN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)[C@@H](C)C1 524550883 LCSQRVVHLZTBRM-PGRDOPGGSA-N 441.528 4.254 5 20 IIBD O=C(c1cccc(OC2CCCC2)c1)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 525875620 WOEDHWFIWXKFSQ-UHFFFAOYSA-N 449.511 4.145 5 20 IIBD COc1cccc(C(NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)c2cccc(OC)c2)c1 530646913 MKEAMXAVNVZYKO-UHFFFAOYSA-N 436.464 4.069 5 20 IIBD COC(=O)[C@@H](NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)C1CCCCC1 531516667 RQAKVDVAFXHUCY-BTYIYWSLSA-N 440.500 4.015 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1)N1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 533356668 CEUQHBBAALFZMP-UHFFFAOYSA-N 427.810 4.225 5 20 IIBD Cc1ccccc1[C@H]1CCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 535735484 OFEBEZMCFNPDAS-ZDUSSCGKSA-N 436.249 4.138 5 20 IIBD CCOc1cc(Sc2nnc(-c3ccncc3)n2CC(F)(F)F)ccc1[N+](=O)[O-] 536183424 FBVUSHFFCRUNND-UHFFFAOYSA-N 425.392 4.361 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc(-c2ccccc2)s1 536468384 RDEMRIUGBLTINE-UHFFFAOYSA-N 444.494 4.021 5 20 IIBD O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1c[nH]c2cccc([N+](=O)[O-])c12 536507563 CJNISUPRNDLURI-UHFFFAOYSA-N 433.493 4.343 5 20 IIBD COc1ccccc1CC(=O)N1CCC(Nc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 536987479 QRMLHORAMWPJQK-UHFFFAOYSA-N 441.528 4.426 5 20 IIBD C[C@H](NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1cccc(OCc2ccccn2)c1 537053169 FXZTYYJSRMKUKR-KRWDZBQOSA-N 448.479 4.218 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1nc(-c2ccc(Cl)s2)cs1 537395669 XZGGXDIYDXUSDA-UHFFFAOYSA-N 429.932 4.418 5 20 IIBD CCc1nc2ccccc2n1C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)CC1 537869711 XJUCTOOIPAJOAI-UHFFFAOYSA-N 442.541 4.150 5 20 IIBD CCOc1cc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1OCC(F)(F)F 538738540 ARSFJOOGXMUJNJ-HNNXBMFYSA-N 440.422 4.016 5 20 IIBD CC(C)N1CCN([C@H]2CCN(Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)C2)CC1 539863203 JOFGNFJBOPXWPI-NRFANRHFSA-N 442.535 4.127 5 20 IIBD O=C(NC[C@@H]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1)c1ccccc1 542405113 IRPCQPAHAYIKBJ-HNNXBMFYSA-N 447.944 4.009 5 20 IIBD CCOc1ccc(NC(=O)CN[C@@H](C)c2cc3cccc(OCC)c3o2)c([N+](=O)[O-])c1 542588336 KFIZKICFKOZPOO-AWEZNQCLSA-N 427.457 4.428 5 20 IIBD COc1ccccc1-c1noc([C@H](C)NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])n1 543119802 FMYIYJCLXPPZCV-NSHDSACASA-N 448.888 4.276 5 20 IIBD Cc1cc(F)c(NC(=O)CSc2ccccc2[N+](=O)[O-])c(I)c1 543130991 YNMWECWCIPFRPT-UHFFFAOYSA-N 446.241 4.378 5 20 IIBD O=C(c1cc(Cl)ccc1Cl)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 546038713 IWNWSPBYWDPQCG-UHFFFAOYSA-N 434.283 4.130 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC(c2noc(C(C)C)n2)CC1 552608829 DTZZYNFODJBNMX-UHFFFAOYSA-N 437.294 4.192 5 20 IIBD O=C(CCC(F)(F)F)N1CCC[C@@H](N[C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 554095064 NBGUZLXUJUPBRY-JQHSSLGASA-N 427.467 4.229 5 20 IIBD O=C(O)CCN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C1CCOCC1 555499439 PAMLQFJLGDHAQC-UHFFFAOYSA-N 448.859 4.136 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(C3(Cc4ccc(F)cc4)CCOCC3)n2)c1 556320878 SMKYJCDLWGGZLM-UHFFFAOYSA-N 427.432 4.007 5 20 IIBD Cc1c(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)cccc1-c1ncco1 557057221 BJBBHIREZWELBK-UHFFFAOYSA-N 449.204 4.415 5 20 IIBD O=C(O)CCSCc1cccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 561708344 LANBFVXUMMATSQ-UHFFFAOYSA-N 439.287 4.318 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NC[C@H](Cc2ccccc2)C(F)(F)F)c([N+](=O)[O-])c1 562238600 VELKZGDTELZNCG-INIZCTEOSA-N 432.402 4.392 5 20 IIBD Cc1ocnc1-c1noc(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n1 569067361 AHZITRNBSLCWGK-UHFFFAOYSA-N 428.408 4.385 5 20 IIBD CC(C)(C)c1nc(CSCc2cc(I)cc([N+](=O)[O-])c2)no1 573029649 IWKFWJJGHTWWAC-UHFFFAOYSA-N 433.271 4.313 5 20 IIBD O=C(CCC(F)(F)F)N1CCC[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 580622042 LRAQOCQNCXCMNO-CQSZACIVSA-N 442.463 4.141 5 20 IIBD CCOc1cc(CN2CCC(C3CC3)CC2)ccc1OCCn1c([N+](=O)[O-])cnc1C 590052785 LRWWPDKVDPXVSJ-UHFFFAOYSA-N 428.533 4.199 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccc(F)cc3F)cc2)cc1[N+](=O)[O-] 603501771 FCVXJJHZQNUNTE-UHFFFAOYSA-N 447.419 4.235 5 20 IIBD CCCCN(C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)[C@@H](C)c1ccccc1 603529864 ODRZHXDPQTZKIM-SFHVURJKSA-N 434.496 4.453 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(OCc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)c1 603677363 HXCCMEXIAOAARV-UHFFFAOYSA-N 441.461 4.102 5 20 IIBD O=C(COc1cccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1)Nc1ccccc1 603977688 ITDJZFGVEVOSGF-UHFFFAOYSA-N 446.463 4.439 5 20 IIBD COc1ccc(CNC(=O)Cc2c(C)[nH]c3ccc(Br)cc23)cc1[N+](=O)[O-] 604017943 JWNXCACALGSAPR-UHFFFAOYSA-N 432.274 4.015 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)c1nc(C2CC2)no1 609022200 HVAUHORVIKAOBG-STXHMFSFSA-N 441.532 4.465 5 20 IIBD CN(C)c1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2N(C)C)c([N+](=O)[O-])c1 609043894 DNTTXYFEEUGVQF-UHFFFAOYSA-N 447.495 4.231 5 20 IIBD O=C(Cc1noc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1)Nc1ccc(F)cc1 609475774 RDYATTSADHIZER-UHFFFAOYSA-N 425.401 4.089 5 20 IIBD Cc1cc(F)ccc1-c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1F 609754292 JFPVLFLHMYOWMY-UHFFFAOYSA-N 438.434 4.206 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cc1F 609770398 PPSKMFBEUJPNEX-ZDUSSCGKSA-N 433.461 4.101 5 20 IIBD COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)c2sccc2C)cc1[N+](=O)[O-] 609917369 PGGJUENSYFHLDL-QGZVFWFLSA-N 432.523 4.236 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)N1CCC[C@@H](N2CCCC2)C1 610132980 OHQZBCRZMNTTMN-DENIHFKCSA-N 442.947 4.488 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 610605786 MDEUFRORFHWGAB-DTORHVGOSA-N 435.118 4.170 5 20 IIBD O=C(NCCCNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)c1cccs1 611202525 HYSJGYMTGWAYAN-UHFFFAOYSA-N 433.555 4.241 5 20 IIBD CC(C)(C)OC(=O)c1cccc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 611436778 LAGCGMGFKLMNCI-UHFFFAOYSA-N 425.485 4.424 5 20 IIBD COc1ccc([C@@H](NC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c2ccccc2)cc1 613304131 GBPBNYOCEFQDCG-QFIPXVFZSA-N 433.464 4.065 5 20 IIBD CS(=O)(=O)c1cc(C(=O)O[C@H](c2ccccc2)c2cccc(F)c2)cc([N+](=O)[O-])c1 726345536 XACCCISCVNHSAP-HXUWFJFHSA-N 429.425 4.084 5 20 IIBD CC(C)c1nnc(COC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)o1 726991378 XNSLEBLCBTXJSS-UHFFFAOYSA-N 429.816 4.343 5 20 IIBD C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 727220850 WXXWBBYSEHSFMX-MNOVXSKESA-N 427.240 4.239 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1nc(-c2ccccc2OC(F)F)cs1 727714695 CAJCVPUNIOHMLH-UHFFFAOYSA-N 445.407 4.308 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1)c1ccc(F)cc1 728248833 ZPEIROUGNHKTQA-UHFFFAOYSA-N 446.394 4.391 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2cc(Cl)ccc2F)cc1SC 728656420 IZSJVMIZSHEZOX-VIFPVBQESA-N 442.852 4.302 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Oc2ccc(NC(=O)c3ccco3)cc2)cc1SC 728766821 LZNZXSREUOROEQ-UHFFFAOYSA-N 428.422 4.390 5 20 IIBD C[C@@H](c1nc2ccccc2s1)N1CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 728896158 MVWCSIGGNJSOLU-KRWDZBQOSA-N 448.552 4.404 5 20 IIBD O=C(/C=C/c1nc2ccccc2s1)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730704747 RPWIWOVEEMSKIH-AYJWMTRPSA-N 437.477 4.066 5 20 IIBD C[C@@H](OC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 731101411 VYCGPKRTLLBIRL-SNVBAGLBSA-N 446.765 4.181 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 731269282 JRVCCSAOXTXCLY-VHKYSDTDSA-N 434.448 4.431 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@H](C)OC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 733072151 LRJDACYSYTTWFE-ZDUSSCGKSA-N 446.506 4.348 5 20 IIBD Cc1cc(C2=N/C(=C\c3csc(-c4cccc([N+](=O)[O-])c4)n3)C(=O)O2)ccc1[N+](=O)[O-] 733085221 DHTIKVXGKUMGMF-SXGWCWSVSA-N 436.405 4.279 5 20 IIBD O=[N+]([O-])c1ccc(-c2cnn(Cc3nnc(-c4ccc(Br)s4)o3)c2)cc1 733750643 JGGOPWVRICVOLS-UHFFFAOYSA-N 432.259 4.381 5 20 IIBD Cn1c(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)ccc1[N+](=O)[O-] 735457012 CBBRLRYZCWQPMF-UHFFFAOYSA-N 448.794 4.356 5 20 IIBD CC(C)(NC(=O)c1cc([N+](=O)[O-])ccc1I)c1cccc(F)c1 736502008 ICIDBDHZBSVQCE-UHFFFAOYSA-N 428.201 4.004 5 20 IIBD CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H](C)c1ccccc1 737300709 LWZJCNRLGYSNCV-CRAIPNDOSA-N 446.935 4.068 5 20 IIBD CCOC(=O)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c1 737741386 ULXLLBULDTUSEY-UHFFFAOYSA-N 425.485 4.189 5 20 IIBD CC(C)[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)N(C)c1ccccc1 740409591 FPKCRQXCDRBSHY-QGZVFWFLSA-N 435.274 4.202 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)N1c2ccccc2CC[C@@H]1C 740422987 VEHIOUIQJOILRE-STQMWFEESA-N 447.285 4.271 5 20 IIBD CCO[C@@H]1C[C@H](Nc2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])C12CCC2 741749201 OUWQZYIFTSMODZ-NWDGAFQWSA-N 430.255 4.034 5 20 IIBD CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 747809003 SHWZDGOZYXPSPB-NEPJUHHUSA-N 432.399 4.043 5 20 IIBD C[C@@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)Nc1cccc2ncccc12 747962098 KVATWUTZCOELAX-CYBMUJFWSA-N 448.460 4.451 5 20 IIBD COc1ccc(C(=O)[C@H](C)OC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 751634496 KROILRMWPXIGQM-NSHDSACASA-N 439.873 4.172 5 20 IIBD CC[C@H]1CN(c2ncc([N+](=O)[O-])c(C)c2Br)CC[C@@H]1NC(=O)OC(C)(C)C 754060503 PHMPCUFCTJKQFI-STQMWFEESA-N 443.342 4.190 5 20 IIBD COc1c([N+](=O)[O-])cc(NC[C@@H](C)c2ncc(C)s2)c([N+](=O)[O-])c1Br 754118062 HETKHKKEEHSOMT-SSDOTTSWSA-N 431.268 4.255 5 20 IIBD O=C(NC[C@@H](O)c1ccc2ccccc2c1)c1cc(F)cc([N+](=O)[O-])c1Br 754636983 UQTIRRIFBCCKRA-QGZVFWFLSA-N 433.233 4.113 5 20 IIBD C[C@H](C(=O)OCC(=O)N(Cc1ccco1)c1ccccc1)c1ccc([N+](=O)[O-])cc1F 755059511 BLXQLBITGGFAKU-HNNXBMFYSA-N 426.400 4.207 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)Cc2ccc3c(c2)COC3)c2ccccc2)c([N+](=O)[O-])c1 755127647 YRRXWFMEEUHOML-DEOSSOPVSA-N 446.459 4.399 5 20 IIBD C[C@H](OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)N[C@H](C)c1cc2ccccc2o1 758732627 QPEWADKVRLVXFA-KGLIPLIRSA-N 435.436 4.174 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])c(Br)s1 761294872 HUZVZKRXIUUTOD-UHFFFAOYSA-N 433.667 4.176 5 20 IIBD O=C(Nc1ccccc1C(=O)NC[C@H](O)C1CCCCC1)c1ccc([N+](=O)[O-])cc1Cl 762341582 CTIDBCTWNCTZGD-FQEVSTJZSA-N 445.903 4.172 5 20 IIBD Cc1ccc(-n2cnnc2SCC(=O)OCCc2ccccc2[N+](=O)[O-])cc1Cl 762705202 HSWMMCRONNTPJM-UHFFFAOYSA-N 432.889 4.015 5 20 IIBD O=C(/C=C/c1ccccc1)N1CCC(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 764080296 RGJZIQVVABWSKY-MDWZMJQESA-N 433.508 4.038 5 20 IIBD O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 764271580 OWAXAWBLAOBVBX-GOSISDBHSA-N 433.574 4.003 5 20 IIBD O=C(Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c(Cl)c1 764304977 YJOLARWBWKZZGV-QGZVFWFLSA-N 425.876 4.144 5 20 IIBD COc1ccc(CC(=O)Oc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)cc1[N+](=O)[O-] 767082335 DEYOTFLSFLZYJH-AWEZNQCLSA-N 430.457 4.337 5 20 IIBD COc1ccc(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1-n1nnnc1C1CC1 770600966 AFAWYFTVOGAWCZ-UHFFFAOYSA-N 432.440 4.329 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(COc3ccc(C4SCCCS4)cc3)n2)n1C 771463632 NZAXUDVMWITIBD-UHFFFAOYSA-N 433.515 4.134 5 20 IIBD O=C(COC(=O)c1cc(Br)ccc1Br)c1cccc([N+](=O)[O-])c1 772762588 UCJOCJFFTSAHAK-UHFFFAOYSA-N 443.047 4.160 5 20 IIBD Cc1csc(Sc2ccc(C(=O)O[C@@H](C(F)F)[C@@H]3CCCO3)cc2[N+](=O)[O-])n1 774454282 WDNSTIHXCHUJGQ-GXTWGEPZSA-N 430.454 4.480 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(NCc3ccc(Br)c([N+](=O)[O-])c3)cc2)C[C@H](C)O1 775182441 FKGNTURSVBVHHZ-KBPBESRZSA-N 448.317 4.219 5 20 IIBD C[C@@H](OC(=O)c1cccc(Cl)c1O)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 775933099 GJHKXCBWQQQCOK-MRVPVSSYSA-N 432.738 4.157 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3c(Cl)ccc4nsnc34)cc2)c(C)c1[N+](=O)[O-] 776961540 XAUUNGVCRCTRAC-UHFFFAOYSA-N 442.888 4.367 5 20 IIBD Cc1cc(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nn1-c1ccc(F)cc1 777154156 IKIURYRJCXILSJ-CYBMUJFWSA-N 437.387 4.196 5 20 IIBD Cc1c(Cl)cccc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 778886947 FRARIWYHGDQJQI-SNVBAGLBSA-N 428.775 4.342 5 20 IIBD O=C(COc1ccc(Oc2ccccn2)cc1)O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 780435197 AXTHGBPWPSLMRU-MOPGFXCFSA-N 438.440 4.085 5 20 IIBD C[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccc(N2CCOC2=O)cc1 780479617 HCJQLFMVFLGAQX-HNNXBMFYSA-N 427.460 4.129 5 20 IIBD Cn1ccnc1[C@H](NCC1(NC(=O)OC(C)(C)C)CCCCC1)c1ccc([N+](=O)[O-])cc1 780764591 GRZYQDGEICVAHT-LJQANCHMSA-N 443.548 4.235 5 20 IIBD O=[N+]([O-])c1ccn(C2CCN(Cn3nc(-c4cc5ccccc5o4)oc3=S)CC2)n1 782858739 DBVAJJDXMQYMCM-UHFFFAOYSA-N 426.458 4.018 5 20 IIBD CC(C)c1cnc(COC(=O)c2ccc([N+](=O)[O-])cc2I)s1 783489157 IETHTHDCXRMVKA-UHFFFAOYSA-N 432.239 4.136 5 20 IIBD CSCc1cccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2Br)c1 784738411 OYAIXGKVLZHZPO-UHFFFAOYSA-N 438.303 4.106 5 20 IIBD CCOc1cc(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])ccc1OC(F)F 790542976 NNDYSBUYTIKQIA-UHFFFAOYSA-N 432.782 4.246 5 20 IIBD C[C@@H](OC(=O)c1cc(F)cc(Cl)c1N)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 791477960 DLYDJFJEPRUNIT-SSDOTTSWSA-N 449.744 4.172 5 20 IIBD COc1c(C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cccc1[N+](=O)[O-] 793483190 ZEMVPOHYQPDVHL-UHFFFAOYSA-N 427.457 4.149 5 20 IIBD COc1c(C(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-] 796310775 GIVJCCHVMDZYHX-WDEREUQCSA-N 441.267 4.333 5 20 IIBD Cc1c(Br)cc(C(=O)Oc2cccc(Oc3cnccn3)c2)cc1[N+](=O)[O-] 797017525 TZAOTLZALYEZHI-UHFFFAOYSA-N 430.214 4.467 5 20 IIBD C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 799223334 HVLXHUIVFSOZIW-MDRZDLKXSA-N 426.311 4.151 5 20 IIBD CCCC[C@@H](C)C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 799857906 HYXVGQJRELKXAN-PILJQMSFSA-N 439.921 4.227 5 20 IIBD Cc1ccc(C2=NO[C@@H](CNC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)C2)cc1 800670616 AZQSXWPOLKOXRY-QGZVFWFLSA-N 447.441 4.191 5 20 IIBD O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)OCc1cc(Cl)ccc1[N+](=O)[O-] 803762654 RPJRRGAQBFFZFE-UHFFFAOYSA-N 432.281 4.199 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(-c3ccccc3Sc3ccccc3[N+](=O)[O-])n2)n1C 809478829 ZNXIIZWMQKNKEX-UHFFFAOYSA-N 438.425 4.413 5 20 IIBD O=C(OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]1CCCN(C(=O)c2ccccc2)C1 811084254 XOQDWGHQMZCOHH-AWEZNQCLSA-N 437.279 4.497 5 20 IIBD CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811216994 PCMMXRJSLWLZNK-BHWKSOARSA-N 447.538 4.019 5 20 IIBD CCOc1ccc(C(=O)OC[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)cc1[N+](=O)[O-] 813154556 FKJXUUQELRQQHU-AWEZNQCLSA-N 444.431 4.043 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc([N+](=O)[O-])c1 814432610 RDUBVTVAEUPIIO-ROUUACIJSA-N 431.533 4.403 5 20 IIBD O=C(Cc1cnn(-c2ccccc2)c1)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 818828657 WJQWCDUCJZDHMN-UHFFFAOYSA-N 442.431 4.181 5 20 IIBD Cc1ccc2nc(COC(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)cc(=O)n2c1 915854559 POHJJFCJMMTSFS-UHFFFAOYSA-N 431.404 4.060 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)c2occc2CSc2ccccc2)cc([N+](=O)[O-])c1C 916772384 DSYMGKUCTUVCQY-UHFFFAOYSA-N 446.506 4.216 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)c1cccs1 917256711 DGSPXUPYLYZQFY-CQSZACIVSA-N 426.450 4.483 5 20 IIBD CCOC(=O)C1=C(c2ccc([N+](=O)[O-])cc2)N(CC2CC2)C(=O)N[C@@H]1c1cccs1 918075873 LLUOARXIJMXZEE-GOSISDBHSA-N 427.482 4.107 5 20 IIBD Cc1ccccc1NCCC(=O)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 918635986 WGWXPGHSNRJWKU-HXUWFJFHSA-N 439.512 4.333 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)OCC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 918861502 MKIYJERAHLPLEU-KVOGHMLTSA-N 448.500 4.387 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@H](C)Oc1ccc(C(C)C)c(C)c1 919406370 BNBBPOZNRSVPMF-CVEARBPZSA-N 444.484 4.373 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 919447724 WUWUBBZBNFKHNW-HZPDHXFCSA-N 444.484 4.373 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1 920155983 BFMBASAFBLYSTR-SCLBCKFNSA-N 432.860 4.166 5 20 IIBD O=C(c1occc1CSc1ccccc1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1115926413 RBTUYAPFJSMGBQ-UHFFFAOYSA-N 437.521 4.438 5 20 IIBD COc1ccc(C(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c2ccc(OC)cc2)cc1 1322475534 WUZRLDSGGSSFHV-UHFFFAOYSA-N 447.491 4.469 5 20 IIBD O=C1CC[C@]2(c3ccc(F)cc3)SC[C@H](c3nnc(-c4cccc([N+](=O)[O-])c4)o3)N12 1325763443 UYRSXUOIHYUNMR-OXQOHEQNSA-N 426.429 4.047 5 20 IIBD CC1CCN(C[C@@H](C)c2nnc(-c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])o2)CC1 1326265756 HJIRZNWSKRQNPR-CYBMUJFWSA-N 428.411 4.421 5 20 IIBD Cc1nc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(F)c4[N+](=O)[O-])CCC3)cc2)co1 1787396425 NYGSBTIEXHVZKE-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD CC1(C(=O)N2CCCC3(CCN(C(=O)c4ccc([N+](=O)[O-])cc4F)CC3)C2)CCCC1 1804989845 OWVOFWOSYKIGGI-UHFFFAOYSA-N 431.508 4.159 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cc([C@@H]2CCCCN2C(=O)C2CCCC2)[nH]n1 1815537436 LLAJNWQQVXZFDI-FQEVSTJZSA-N 439.516 4.133 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2)[nH]n1 1815538824 YRSFQRSUEXWERO-OAQYLSRUSA-N 447.495 4.257 5 20 IIBD Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)ccc1F 1823614859 FBYBHJWPQFGXHH-IBGZPJMESA-N 443.475 4.182 5 20 IIBD CC(C)CC(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 1824162351 VLTPLZPMZXTGEN-HXUWFJFHSA-N 449.979 4.457 5 20 IIBD C/C=C/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1831364317 JUTQDKOAUOOEMH-AXVWPGNMSA-N 429.492 4.100 5 20 IIBD C[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1)c1cccs1 1832147422 RDXGRBPESJUWAX-QAPCUYQASA-N 444.557 4.021 5 20 IIBD COc1cc(CSc2nc3ccccc3c3nc(C)nn23)c([N+](=O)[O-])cc1OC(F)F 13230726 HNUVITVKBGBJNF-UHFFFAOYSA-N 447.423 4.396 5 20 IIBD CCOC(=O)c1nc(N(CCc2ccccc2)C(=O)c2cccc([N+](=O)[O-])c2)sc1C 21825708 TXALSJIPPBHHPC-UHFFFAOYSA-N 439.493 4.426 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccc(OC(F)(F)F)cc1 24498731 DRRMOVQLTUQGDL-UHFFFAOYSA-N 426.394 4.370 5 20 IIBD Cc1nc(C(F)(F)F)ccc1C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 24769027 VZWQNTRTCBRUTF-OAHLLOKOSA-N 439.390 4.130 5 20 IIBD COc1ccc([C@@H]2CCCN2C(=O)CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1OC 25022763 ZTFQPTSDOMCHGG-IBGZPJMESA-N 447.919 4.061 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NC[C@H](c2ccccc2)N(C)C)c([N+](=O)[O-])c1 29254784 XXGIZUBMBBWIQJ-HSZRJFAPSA-N 447.491 4.327 5 20 IIBD Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)CC2)cc1 32357452 XXAQUADZTZVQOB-UHFFFAOYSA-N 444.491 4.245 5 20 IIBD O=C(c1cc(C2CC2)on1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 58384889 PDMLDRYTVUZKHN-UHFFFAOYSA-N 438.509 4.147 5 20 IIBD CCOc1ccc(NC(=O)CNc2cc(C(F)(F)F)ccc2NC(C)=O)c([N+](=O)[O-])c1 64398680 LMKPGMUDYNBENQ-UHFFFAOYSA-N 440.378 4.021 5 20 IIBD CN(Cc1ccc(Br)cc1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 64691997 SEJDDCUGSDFBLJ-UHFFFAOYSA-N 429.274 4.030 5 20 IIBD COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)COc1ccc([N+](=O)[O-])cc1)CC2 68847226 IXOPWWLZFXRLSI-RUZDIDTESA-N 448.475 4.165 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(OCc2ccc(F)cc2)c1 108357312 MKMDJBIMLWTJNG-UHFFFAOYSA-N 432.429 4.122 5 20 IIBD CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 109291117 QIZGILXABNVPSE-UHFFFAOYSA-N 448.458 4.015 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(NCc2ccc(NC(=O)c3ccco3)cc2)cc1Cl 301683049 SSAXZRFIOKXSKS-UHFFFAOYSA-N 429.816 4.492 5 20 IIBD O=[N+]([O-])c1cc(Br)cnc1N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 301722548 RQCYEBKMQKAQFR-AEFFLSMTSA-N 431.334 4.243 5 20 IIBD CN(CCCCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 303218611 UQWGJNWUSHDPNW-UHFFFAOYSA-N 427.320 4.001 5 20 IIBD CC(C)(C)c1cccc(OCCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 303588900 LXTXKCWKGVWHPD-UHFFFAOYSA-N 425.529 4.304 5 20 IIBD CC(C)(C)N1C[C@@H](c2nc(CCNc3ccccc3[N+](=O)[O-])no2)[C@H](C(F)(F)F)C1 426439332 WSYHZNFIUIEXPC-CHWSQXEVSA-N 427.427 4.009 5 20 IIBD Cc1ccc(Br)c(S(=O)(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1 430084702 YOSATXRUDGEPBZ-UHFFFAOYSA-N 428.289 4.076 5 20 IIBD COc1cc(CN2C[C@H](C(F)(F)F)OC(C)(C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F 430214659 CDNYYXOTRLRZQY-CQSZACIVSA-N 446.344 4.086 5 20 IIBD Cc1ccc(-n2nc(C)cc2NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)nn1 432304546 ACSNKDYMKXCIKT-UHFFFAOYSA-N 429.440 4.183 5 20 IIBD O=[N+]([O-])c1ccc(Nc2cccc(C(F)(F)F)c2)c(NC[C@@H]2CCS(=O)(=O)C2)c1 432693094 APJGWCGUVITQLK-LBPRGKRZSA-N 429.420 4.204 5 20 IIBD CCOC(=O)c1cc(N2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)ccc1[N+](=O)[O-] 433711990 DMGUZYLGPFIYGU-KRWDZBQOSA-N 440.500 4.118 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cc(F)ccc1Br 435209797 YLDMYXFEVFFXDL-UHFFFAOYSA-N 431.283 4.096 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@H](C)c2nc(C(C)(C)C)no2)cc1[N+](=O)[O-])c1ccccn1 437136645 ZPDWTSMUMYODDW-UONOGXRCSA-N 438.488 4.334 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)cn2)cc1 438667178 SVSILRZXYVOBEE-UHFFFAOYSA-N 448.479 4.466 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(NCc2cn(Cc3ccccc3)nc2-c2ccccc2)n1 439099137 MSGDMJAVSDBBSD-UHFFFAOYSA-N 443.463 4.300 5 20 IIBD Cc1cccc([C@H]2CCCN2C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c1C 441021527 BJRCFPUPTNNBRW-QGZVFWFLSA-N 433.411 4.115 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 441080813 QCFKBPIXITYMHF-GFCCVEGCSA-N 428.436 4.197 5 20 IIBD CSc1ccccc1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1I 441385094 BXRSXEXCKISBAY-JTQLQIEISA-N 442.278 4.412 5 20 IIBD CCN(CC)[C@H](C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1cccc(C(F)(F)F)c1 444638682 WZRCSHGYNJUJER-IBGZPJMESA-N 449.433 4.189 5 20 IIBD CCOc1cc2c(cc1NC(=O)c1sc(Br)cc1[N+](=O)[O-])O[C@H](C)C2 445254361 ZEDIRQDCVLSOPC-MRVPVSSYSA-N 427.276 4.393 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(C3CCN(c4nc5ccccc5o4)CC3)n2)c1 445579970 RTRDLWNDXVOULM-UHFFFAOYSA-N 435.440 4.102 5 20 IIBD Cc1cc(Cl)cc2cc(-c3noc(CN4C(=O)COc5ccc([N+](=O)[O-])cc54)n3)oc12 445705021 OUOQMAVTXXPKQH-UHFFFAOYSA-N 440.799 4.278 5 20 IIBD C[C@H]1CCCN(c2ccc(C(=O)N(CC(F)(F)F)[C@@H]3CCCOC3)cc2[N+](=O)[O-])C1 446205444 IUNDNLGGDWCUFQ-GOEBONIOSA-N 429.439 4.015 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1cnn(-c2ccc(Cl)cc2Cl)c1 446257229 WUSXUPAAZRDNMY-UHFFFAOYSA-N 446.254 4.285 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N[C@H](c2cccc(C(F)(F)F)c2)c2nc[nH]n2)cc1[N+](=O)[O-] 446681406 JRNAFMUQXZYKCU-YVEFUNNKSA-N 448.405 4.190 5 20 IIBD O=[N+]([O-])c1ccc2nc(CNCc3cccc(Br)c3OC(F)F)[nH]c2c1 446848262 GHAAUFBMQUSXHT-UHFFFAOYSA-N 427.205 4.125 5 20 IIBD Cc1csc(N(CC(F)(F)F)C(=O)c2sc(Br)cc2[N+](=O)[O-])n1 447391546 GCXMEYWGUBQMOU-UHFFFAOYSA-N 430.227 4.393 5 20 IIBD COc1cccc([C@H](CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])N(C)C)c1 447674441 CSGIXOYKDMODNO-AWEZNQCLSA-N 434.365 4.367 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(Oc2ccc(C)c(C)c2)nc1 461868966 WOGTUALQMKIQQL-GOSISDBHSA-N 438.488 4.270 5 20 IIBD O=C(CNc1cc([N+](=O)[O-])ccc1Nc1ccccc1)NCCc1c(F)cccc1F 462200456 GGMQPFIUSIRKIS-UHFFFAOYSA-N 426.423 4.387 5 20 IIBD Cc1ccc(S(=O)(=O)NCc2ccnc(Oc3cccc(C)c3C)c2)c([N+](=O)[O-])c1 462654795 APICRPWNBFSEIM-UHFFFAOYSA-N 427.482 4.186 5 20 IIBD CC[C@@H](C)Oc1cc(C)ccc1CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] 465051700 CMGYMPHFCLSUAC-QGZVFWFLSA-N 427.501 4.165 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 466282943 KNUGNTGUXPTIEX-NRFANRHFSA-N 439.493 4.218 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNCCc2cn3c(n2)SCC3)cc1 466475080 RBTFWISUZSBNSB-UHFFFAOYSA-N 446.536 4.082 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1nc(-c2ccc(C)cc2C)cs1 468873198 FZWWOSFETULDML-HNNXBMFYSA-N 428.518 4.206 5 20 IIBD COc1cc(NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])ccc1Br 471499267 CPYXCPXBAWGWCF-UHFFFAOYSA-N 427.276 4.349 5 20 IIBD CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 473089477 QCWXFPXHDXWDJZ-HOTGVXAUSA-N 434.537 4.033 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cnn(CCO)c1-c1ccccc1 476047012 TZDAOXZTUHEPED-UHFFFAOYSA-N 444.447 4.495 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccccc1C(=O)N[C@H](C)c1ccccc1 476322355 KPJWQUFMASCGFN-QGZVFWFLSA-N 432.480 4.445 5 20 IIBD C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccc(Br)cn1 477807136 VMIFZJBXANWTJH-QMMMGPOBSA-N 429.068 4.006 5 20 IIBD CC(C)(C)OC(=O)[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccc1 478179743 JBLRPCWDVCMSGK-HXUWFJFHSA-N 425.485 4.008 5 20 IIBD Cc1onc(-c2cccc(Cl)c2)c1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 479723009 LUNPEOZMNYFCGR-UHFFFAOYSA-N 426.860 4.174 5 20 IIBD O=C(N[C@H]1CCN2CCC[C@H]2C1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 480508972 ACDAGZHELOJAQU-IRXDYDNUSA-N 428.920 4.217 5 20 IIBD O=C(Nc1ccccc1I)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 480540273 MESPGXYHMVBODJ-UHFFFAOYSA-N 437.237 4.396 5 20 IIBD COC(=O)c1cc(NC(=O)c2csc(-c3c(F)cccc3F)n2)c(C)c([N+](=O)[O-])c1 485942997 UDHDOUMMRPXWSS-UHFFFAOYSA-N 433.392 4.344 5 20 IIBD COc1ccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)c2c[nH]c3ccccc23)cc1 486612815 UEHCNNRTRLFFDL-LJQANCHMSA-N 430.464 4.229 5 20 IIBD O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 486735484 WGHFPBFRVMWBPJ-UHFFFAOYSA-N 447.200 4.427 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)N(CCc1ccccc1)Cc1ccccc1 487917142 RBEGODXVRIQPNK-UHFFFAOYSA-N 441.487 4.181 5 20 IIBD O=C(NCCc1csc(-c2ccccc2)n1)NCCc1ccc(Cl)cc1[N+](=O)[O-] 487965890 HDYIWPBAIAMHPF-UHFFFAOYSA-N 430.917 4.456 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1[N+](=O)[O-] 488032415 GOSKNEWNJVNUIB-XMSQKQJNSA-N 431.492 4.122 5 20 IIBD CCCc1nc(C)c(CNc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])o1 488781906 IZVBTXSDJQKAII-UHFFFAOYSA-N 436.534 4.021 5 20 IIBD O=C(N[C@H]1CCOC2(CCCC2)C1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 489076849 QGESHSFSEXGKQU-LBPRGKRZSA-N 439.299 4.309 5 20 IIBD O=C(Nc1cccc(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c1)c1ccc(F)cc1 490605991 IXUSEEWDUYIPQC-UHFFFAOYSA-N 432.411 4.398 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 494689757 XXHDMLOLSKFMIA-UHFFFAOYSA-N 442.475 4.445 5 20 IIBD CC(C)(NC(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1)c1ccc([N+](=O)[O-])cc1 495250159 PUVDOHKDQZGXIO-UHFFFAOYSA-N 434.378 4.251 5 20 IIBD O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 497327562 PBKVBHXQHPMOAD-UHFFFAOYSA-N 446.507 4.291 5 20 IIBD COc1cc(C(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)c([N+](=O)[O-])cc1OC 498042035 LDWCACNEAQOFEJ-AWEZNQCLSA-N 449.301 4.079 5 20 IIBD COc1ccccc1[C@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 498267979 RMRWCRXDSPBYGZ-FQEVSTJZSA-N 429.860 4.481 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C(=O)N=c2cc[nH]cc2)c1 502997715 IINQXMNVLSKINC-UHFFFAOYSA-N 436.493 4.418 5 20 IIBD COCCCN(C(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 504096046 NFIGBKRPRILDGG-IRIMQRBYSA-N 439.512 4.152 5 20 IIBD CCSc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 504729373 JSUWPLRPHDQJNX-IERDGZPVSA-N 441.553 4.497 5 20 IIBD CCOc1ccc([C@H](C)NCc2csc(CNC(=O)c3ccccc3)n2)cc1[N+](=O)[O-] 504911954 ODGKPFDXWXKRPP-HNNXBMFYSA-N 440.525 4.231 5 20 IIBD COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] 504926513 VLBUADJAYXDCCA-INIZCTEOSA-N 449.301 4.499 5 20 IIBD O=[N+]([O-])c1cc(F)c(CSc2nnc(-c3ccncc3)n2CC(F)(F)F)c(F)c1 505560760 WUUYMQBWZGPUQC-UHFFFAOYSA-N 431.346 4.381 5 20 IIBD CCOc1ccc(Oc2ccccc2NC(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1 506414909 FFDKZQDCALGTOK-UHFFFAOYSA-N 449.463 4.083 5 20 IIBD CNS(=O)(=O)c1ccc(N[C@H]2CCOc3c(-c4ccccc4)cccc32)c([N+](=O)[O-])c1 507026149 CSBPWFFPPMPEHU-IBGZPJMESA-N 439.493 4.106 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCC[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1SC 510196933 XTYKRKMKYZVPAU-AEFFLSMTSA-N 443.569 4.356 5 20 IIBD CC(=O)N1CCCc2cc(NC(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)ccc21 510630518 UWZVCPNBYMGDEK-UHFFFAOYSA-N 432.274 4.217 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Oc2cccnc2)cc1[N+](=O)[O-] 511280521 MYXCQQUPRCFWKO-UHFFFAOYSA-N 435.845 4.245 5 20 IIBD Cc1cc2c(cc1NC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)OCO2 511778739 UZEJMNWUPOPPFY-UHFFFAOYSA-N 447.447 4.181 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 512263341 RRROVPGIVPMEHL-UZUQRXQVSA-N 442.947 4.173 5 20 IIBD CCOc1cccc(CN[C@@H](c2cccc([N+](=O)[O-])c2)c2nccn2C)c1OC(F)F 513678915 SJUOLEDVLPTRNX-SFHVURJKSA-N 432.427 4.208 5 20 IIBD COc1ccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1OCc1cccnc1 515157607 ROYMDDLPKUYLLC-UHFFFAOYSA-N 445.435 4.015 5 20 IIBD Cc1cc(NC(=O)c2ccc([N+](=O)[O-])n2C)n(-c2cc(C(F)(F)F)ccc2Cl)n1 516102673 AZVLZFCPNUQAOW-UHFFFAOYSA-N 427.770 4.352 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@@H](C)OCCC(C)C)cc2)cc1[N+](=O)[O-] 519057164 GSSGFXSBVBOYOW-MRXNPFEDSA-N 449.529 4.094 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 519931603 UYBUMSFRHFRJDI-ADLMAVQZSA-N 430.848 4.382 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nc3cc(F)ccc3[nH]2)cc1 520689411 YJPHZCBGKFIVIW-UHFFFAOYSA-N 447.426 4.036 5 20 IIBD CCN(C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H](C)c1cc2ccccc2o1 521723051 LYXRPHHCSDESGT-CYBMUJFWSA-N 429.860 4.334 5 20 IIBD Cc1ncc(-c2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)o1 522480260 MSCAOCKOHUPRBD-HXUWFJFHSA-N 434.452 4.110 5 20 IIBD COc1cc(-c2noc(-c3cc(O)nc4ccc([N+](=O)[O-])cc34)n2)cc(Cl)c1OC 522707622 MXTFZSVPCKXJOS-UHFFFAOYSA-N 428.788 4.236 5 20 IIBD Cc1ccc(NCCCNC(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c([N+](=O)[O-])c1 524613318 QWUFBTYJWGEQPT-INIZCTEOSA-N 439.516 4.114 5 20 IIBD O=C(Nc1ccc(Br)cc1OC(F)(F)F)c1cc2c(cc1[N+](=O)[O-])OCO2 530402012 NRLDNKIBYQGSRE-UHFFFAOYSA-N 449.135 4.237 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC(Oc2ccc(C(C)C)cc2)CC1 530574069 MYBWVIRXUVGABN-FQEVSTJZSA-N 443.548 4.021 5 20 IIBD Cc1ccccc1-n1nc(C)c(CN(C)C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1C 535369171 GFSCTHKIJQQXHG-UHFFFAOYSA-N 431.496 4.388 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@@H]2CN(C)Cc3ccccc32)cc1[N+](=O)[O-])c1ccccn1 536033973 BTQOPPYIYDZUMN-KSFYIVLOSA-N 431.496 4.079 5 20 IIBD O=c1ccc([N+](=O)[O-])cn1CCSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 536448171 JMJMAEVJRGBBBD-UHFFFAOYSA-N 431.477 4.068 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 536685211 HVMHYFAZWUZFAI-UHFFFAOYSA-N 430.892 4.059 5 20 IIBD CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 537200180 GDYGTJQAWAARFO-VFNWGFHPSA-N 431.464 4.063 5 20 IIBD COc1ccc(CNC(=O)CN[C@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1 538269401 XHVUTDJXASORSB-OAHLLOKOSA-N 425.510 4.299 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(OCCN2CCCC2)cc1 539354974 WSPDYBQQODDAKJ-UHFFFAOYSA-N 443.569 4.500 5 20 IIBD CC(=O)c1cccc(OCc2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)no2)c1 539944483 DZCBUZTUEGIPBV-UHFFFAOYSA-N 447.350 4.218 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](CC(F)(F)F)c1ccc(F)cc1 540380987 ZPBBNDPTDHAUGN-INIZCTEOSA-N 429.370 4.354 5 20 IIBD Cc1c(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cccc1[N+](=O)[O-] 540393462 KLEBHSOAMIETCO-DLBZAZTESA-N 447.495 4.228 5 20 IIBD O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1[N+](=O)[O-] 540444395 GCOWVPKRDITNNL-ZBFHGGJFSA-N 425.666 4.271 5 20 IIBD O=[N+]([O-])c1cc2c(c(CN3CCC[C@@H](c4n[nH]c(C5CCCCC5)n4)C3)c1)OCOC2 540864117 KRTOKAXJQNHDBZ-MRXNPFEDSA-N 427.505 4.007 5 20 IIBD Cc1nc(Cc2ccccc2)sc1[C@@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 542666386 YZBSPNKVNLOMES-OAHLLOKOSA-N 445.566 4.075 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCCCC[C@@H]2c2ncon2)cc1[N+](=O)[O-])c1ccccn1 543418162 BLUYVHLLFQYXIW-HNAYVOBHSA-N 436.472 4.303 5 20 IIBD O=[N+]([O-])c1ccc2c(-c3nc(Cc4nc(O)c5c(C6CC6)csc5n4)no3)c[nH]c2c1 544954394 SAIDQDOYGKOHJO-UHFFFAOYSA-N 434.437 4.305 5 20 IIBD CN(C)c1nc2cc(-c3noc(CCOc4ccc(Cl)cc4[N+](=O)[O-])n3)ccc2o1 545100707 WUKPITHSOUOPQS-UHFFFAOYSA-N 429.820 4.127 5 20 IIBD O=C(NCCc1nc(-c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)no1)c1cccs1 545786215 PCMKXTIIZRGPHO-UHFFFAOYSA-N 436.449 4.471 5 20 IIBD CCNC(=O)COc1cccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1 549558457 NWMRKVYHVDQGIB-UHFFFAOYSA-N 443.887 4.313 5 20 IIBD COC(=O)COc1ccc(CNCc2cnc(-c3ccc(Cl)cc3)s2)cc1[N+](=O)[O-] 551569348 FLURPDWRZJYPRY-UHFFFAOYSA-N 447.900 4.213 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCOC[C@@H]1[C@@H]1CCCO1 553016378 UFMMFAUZADBVRT-MOPGFXCFSA-N 432.860 4.061 5 20 IIBD CN(Cc1ccc(Cl)c(F)c1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 559175171 HNNAUPBTUAVELN-OAHLLOKOSA-N 445.882 4.319 5 20 IIBD Cn1cnnc1Sc1ccc(-c2nc(Cc3cc4ccccc4o3)no2)cc1[N+](=O)[O-] 560042936 DVMHTNJHOKIMNU-UHFFFAOYSA-N 434.437 4.262 5 20 IIBD CCOc1cc(NC(=O)N[C@@H](CCO)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OCC 562042506 BNYGKHCJHJONKT-HNNXBMFYSA-N 437.880 4.291 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 574557828 NNUIXLFQAKOPSP-UHFFFAOYSA-N 444.366 4.048 5 20 IIBD NC(=O)c1ccnc(N[C@@H](c2cccc(F)c2)c2cccc(Br)c2)c1[N+](=O)[O-] 577114485 CASGWYCBEZEHPA-MRXNPFEDSA-N 445.248 4.192 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](NC[C@@H]1CCCOC1)c1ccccc1 579622588 VUQGQQMTGMAGLX-LIRRHRJNSA-N 448.317 4.053 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)c1 582474236 HAFVKZVJHLBCHH-UHFFFAOYSA-N 437.427 4.315 5 20 IIBD O=C(N[C@@H](c1noc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1)C1CC1)c1ccccc1 583051276 HXHHEUTZZRRYES-HXUWFJFHSA-N 433.468 4.126 5 20 IIBD C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(NC(=O)Nc2ccccc2)cc1 604033715 VOIFLVFKOVRWMF-OAHLLOKOSA-N 440.481 4.278 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccc(Br)c2)cc1[N+](=O)[O-] 604043292 BJQCRGMNZLVFCV-INIZCTEOSA-N 425.304 4.192 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 604077471 QJFDITHBEOYFPJ-UHFFFAOYSA-N 430.508 4.212 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(C(=O)N[C@@H](C)CC)cc2C)c([N+](=O)[O-])cc1OC 604457745 XXUIGYPVPCXXFI-AWEZNQCLSA-N 429.473 4.091 5 20 IIBD CCOc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1Cl 608805121 PUOLEJBMYWSKNT-SFHVURJKSA-N 431.876 4.199 5 20 IIBD CC(C)CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 609036486 OSTJKXXTAFOBGT-XJKSGUPXSA-N 435.571 4.266 5 20 IIBD O=C(c1ccc(-c2ccc(Cl)cc2)cc1F)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 609297973 PXKFZXMVSZKTAI-UHFFFAOYSA-N 440.862 4.412 5 20 IIBD CC(C)N(Cc1nc(O)c2ccccc2n1)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 609723409 QBOBISQGXOCLRD-UHFFFAOYSA-N 444.875 4.103 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(Oc2ccccc2OC)cc1 609842033 ZBZWMVGJXHBYLT-QGZVFWFLSA-N 439.472 4.267 5 20 IIBD O=C(Nc1cccnc1N1CCCC1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 609856866 WSTIOENDWOAACM-UHFFFAOYSA-N 447.282 4.335 5 20 IIBD COC(=O)c1cc(NC(=O)c2sc(COc3ccc(F)cc3)nc2C)cc([N+](=O)[O-])c1 609884926 JGTFFHIUUIYBLN-UHFFFAOYSA-N 445.428 4.117 5 20 IIBD O=C(NCc1ccc(OCc2ccccn2)cc1)c1ccc([N+](=O)[O-])cc1Br 610041606 VTRRXLIBEDKCEZ-UHFFFAOYSA-N 442.269 4.261 5 20 IIBD COc1cc(C)c([C@H](C)NC(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])cc1OC 610090051 IHYHOWRPNRYATP-INIZCTEOSA-N 430.505 4.091 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[C@H](c3ccccc3)[C@H]2C)cc1OC 610186636 HIIUWSMZACJJRH-NUJGCVRESA-N 428.485 4.035 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1C 610800168 LQURODVVBRVHAI-QWRGUYRKSA-N 448.385 4.399 5 20 IIBD NC(=O)CN(C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])C1CCCC1 613396798 LNPCKHUBURYHOP-UHFFFAOYSA-N 433.917 4.270 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)[C@@H](C)Oc2ccccc2C(F)(F)F)cccc1[N+](=O)[O-] 727203319 BKPNZXARXHOWIE-CHWSQXEVSA-N 440.374 4.260 5 20 IIBD Cc1ccccc1-c1nc(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cs1 727559032 HSLRRUUSRDWMIV-LBPRGKRZSA-N 429.429 4.350 5 20 IIBD Cc1c(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cccc1OCC(F)(F)F 727937807 WOEZEXALGMQECR-UHFFFAOYSA-N 438.406 4.198 5 20 IIBD O=C(COC(=O)c1cnc(-c2ccco2)s1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 729019386 JBIXKFXCTRXDNM-UHFFFAOYSA-N 441.343 4.126 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)OCc1sc2ccccc2c1Cl 730627376 BJVFQAGYWUSCED-UHFFFAOYSA-N 435.841 4.406 5 20 IIBD COc1ccc(CCC(=O)OC[C@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])cc1Cl 730705879 RUHOEAWVGQDJMS-MRXNPFEDSA-N 446.887 4.037 5 20 IIBD O=C1OC(c2c(Cl)cccc2[N+](=O)[O-])=N/C1=C\c1cnn(Cc2ccccc2Cl)c1 730957661 FGDAWLPRIMEUNX-PXNMLYILSA-N 443.246 4.491 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCC[C@H]1c1cccc2ccccc12 731617865 SVEZKZQAOPTKMA-FQEVSTJZSA-N 434.448 4.312 5 20 IIBD C[C@@H](O)c1ccc(CNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])cc1 732568009 XUTHFEGSPCHHAA-OAHLLOKOSA-N 427.482 4.061 5 20 IIBD C[C@H](OC(=O)CO[C@H]1CCCC[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 733572425 XFWRDXNHTYNISM-MKBNYLNASA-N 432.395 4.079 5 20 IIBD O=C(OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1ccc(Oc2ccccc2)nc1 733698524 XBGWIEBCMIBPFW-GOSISDBHSA-N 447.447 4.244 5 20 IIBD O=C(OCc1nc(-c2ccc(Br)s2)no1)c1ccc([N+](=O)[O-])cc1Cl 734024423 LCPIWVFKPABRLK-UHFFFAOYSA-N 444.650 4.479 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 735249232 SWGHMRQGKYHGGF-UHFFFAOYSA-N 433.380 4.284 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 735699456 OZPXNINXWOHWSP-BJOHPYRUSA-N 433.675 4.172 5 20 IIBD O=c1cc(-c2ccc([N+](=O)[O-])cc2)c2ccc(Oc3cc(-n4ccnc4)ncn3)cc2o1 740865046 VQOMELRRXVYLML-UHFFFAOYSA-N 427.376 4.136 5 20 IIBD COc1ccc(Cl)cc1NCCC(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 741149149 MBINEOBRRFPSJH-GFCCVEGCSA-N 446.847 4.413 5 20 IIBD O=C(c1ccc(Cl)cc1NCc1cc(F)ccc1[N+](=O)[O-])N1CCCC[C@@H]1CCO 742258367 ATQFSLKCIQOEOG-QGZVFWFLSA-N 435.883 4.377 5 20 IIBD COc1ccc(C[C@H]2CCCN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])C2)cc1 742412916 WYPONNJFNATTIL-OAHLLOKOSA-N 440.468 4.059 5 20 IIBD Cc1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1[N+](=O)[O-] 743343043 QOMGAZYDHAKTES-UHFFFAOYSA-N 427.438 4.207 5 20 IIBD Cc1ccc(Br)cc1C(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 744090247 QJRWMPPCESHRBM-UHFFFAOYSA-N 434.290 4.134 5 20 IIBD Cc1nc2sn(CN(Cc3ccccc3[N+](=O)[O-])CC(F)(F)F)c(=O)c2c(C)c1C 744431475 XVVOAXNLIFGWKV-UHFFFAOYSA-N 440.447 4.313 5 20 IIBD CC(=O)N(c1nc(COC(=O)Cc2cccc([N+](=O)[O-])c2)cs1)c1ccccc1F 745329394 IODAKXLILADXGP-UHFFFAOYSA-N 429.429 4.161 5 20 IIBD O=[N+]([O-])c1ccc(-c2ncn(CN(Cc3cc(Br)ccc3F)C3CC3)n2)cc1 746710013 SZMPBKVBTNOFOJ-UHFFFAOYSA-N 446.280 4.377 5 20 IIBD Cc1ccc(CNC(=O)C2CCN(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1 746813490 KZDSRVXWDVSPAC-UHFFFAOYSA-N 430.892 4.117 5 20 IIBD O=C(COC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 750965502 QRPMALWLZKGSTG-UHFFFAOYSA-N 432.148 4.416 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCC(=O)Nc2cccc3ccccc23)CC1 751186012 SMSGCYSWLJELSQ-UHFFFAOYSA-N 446.507 4.353 5 20 IIBD O=C(Nc1ccccc1F)C(=Cc1cc(O)ccc1[N+](=O)[O-])C(=O)Nc1ccccc1F 751205460 HJSOSSWMOIHNMA-UHFFFAOYSA-N 439.374 4.239 5 20 IIBD CC[C@@H](CC(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccc(OC)cc1 752492655 SONDKCYGTKLBCW-SFHVURJKSA-N 427.501 4.342 5 20 IIBD O=C(O[C@H](C(=O)NCc1ccccc1)c1ccccc1)c1c(F)ccc([N+](=O)[O-])c1F 752568979 XCZIMJRRNLMKCE-FQEVSTJZSA-N 426.375 4.088 5 20 IIBD CCC(C)(C)OCc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 754633277 SAEDQZFKEHUUID-INIZCTEOSA-N 443.475 4.431 5 20 IIBD O=C(NCc1ccc(Br)cc1)c1cc(F)cc([N+](=O)[O-])c1Br 754967824 JGEODFOACMQORP-UHFFFAOYSA-N 432.043 4.189 5 20 IIBD CC(C)(C)NC(=O)c1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1 754975512 CPWKNPVNUHBYHL-UHFFFAOYSA-N 438.253 4.277 5 20 IIBD C[C@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1nc(Cc2ccccc2)no1 755026672 VOSUOJCSFPMDTG-NSHDSACASA-N 446.261 4.214 5 20 IIBD C[C@H](OC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccc(N2CCCCC2)cc1 755066717 GPFDSXFIKXUOSB-HOTGVXAUSA-N 443.475 4.398 5 20 IIBD O=C(NCc1nnc(S)n1C1CC1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 755251953 BQKPIFNFVQOCTP-UHFFFAOYSA-N 433.559 4.022 5 20 IIBD Cc1ccc(-n2nc(Br)cc2C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)cc1 755310114 HOWYAOIQPZLGCE-UHFFFAOYSA-N 441.285 4.444 5 20 IIBD CCOc1cc(COC(=O)c2ccc(CNC(=O)C3CCCC3)cc2)ccc1[N+](=O)[O-] 755557181 ZBLIUYFWUGEDOK-UHFFFAOYSA-N 426.469 4.157 5 20 IIBD C[C@@H](OC(=O)c1cccc2[nH]ccc12)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 757046195 IPWWPUQVBPBMDQ-GFCCVEGCSA-N 436.449 4.384 5 20 IIBD O=C(Nc1cc(I)ccc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 757745828 KLXWHNKTHDZUQA-UHFFFAOYSA-N 447.572 4.013 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CCc2cc(Br)cc(F)c21 758701716 KFZOYTBHOUKSAL-UHFFFAOYSA-N 444.054 4.462 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)O[C@@H]1CCCN(c2ccccc2Cl)C1=O 758739816 OLFMCNBIOAWSHG-LJQANCHMSA-N 427.844 4.011 5 20 IIBD O=C(NCCc1ccc(Cl)nc1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 760687526 DHIBFMRIYIDPLS-UHFFFAOYSA-N 440.674 4.108 5 20 IIBD C[C@@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 760854018 KETKCINKKOWZEM-NSHDSACASA-N 439.287 4.485 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1N1CCC(n2cc(Br)cn2)CC1 765504616 VWCMBYLAAKQZGK-UHFFFAOYSA-N 430.100 4.158 5 20 IIBD O=C(OCc1nc(-c2cc(F)c(F)c(F)c2)no1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 767985254 YLXDJNRGTWWTAR-UHFFFAOYSA-N 448.357 4.019 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 769897811 XTWSCANBDRNAGF-UHFFFAOYSA-N 427.866 4.064 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCc1nnc(-c2ccc(Cl)cc2)n1C 770419026 PKLNIRREIYXNKX-OAHLLOKOSA-N 428.876 4.356 5 20 IIBD CCN(Cc1cccc(-c2ccncc2)c1)S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 771770495 FMBNVQAUMXJEFD-UHFFFAOYSA-N 429.473 4.315 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C1CCN(C(=O)c3ccc(Cl)s3)CC1)CC2 773989333 LJCCENMNYSDKQI-UHFFFAOYSA-N 433.917 4.060 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1c(Cl)ccc2nsnc12 776962688 OKWVVUGIHZOBDG-UHFFFAOYSA-N 427.667 4.197 5 20 IIBD O=C1N[C@@H](CC(F)F)C(=O)N1Cc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 777656786 LXPWSEUGIXMAAJ-ZDUSSCGKSA-N 443.765 4.255 5 20 IIBD CCCCN([C@H](C)c1ccc(C)o1)S(=O)(=O)c1ccc(NC(=O)OC)c([N+](=O)[O-])c1 777911831 PJSROJWZWJXXCI-CQSZACIVSA-N 439.490 4.227 5 20 IIBD CN(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 778074946 SUMPKLKWJGFVAL-UHFFFAOYSA-N 434.380 4.381 5 20 IIBD O=C1CCc2ccc(OC(=O)c3ccn(-c4c(Cl)cc([N+](=O)[O-])cc4Cl)n3)cc2N1 781155639 NXXSHAYVBBWTLN-UHFFFAOYSA-N 447.234 4.191 5 20 IIBD Cc1cc(COC(=O)CCc2nc(O)c3c4c(sc3n2)C[C@H](C)CC4)ccc1[N+](=O)[O-] 781471594 YNPKOEOPLFGSLK-GFCCVEGCSA-N 441.509 4.414 5 20 IIBD CCN(C(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)C1CCCCC1 784049774 XASJFDMXTCNNLP-LLVKDONJSA-N 445.285 4.223 5 20 IIBD Cc1nn(Cc2ccc(C(=O)OCc3ncccc3C(F)(F)F)cc2)c(C)c1[N+](=O)[O-] 784970840 FHRILBNVUZSWPI-UHFFFAOYSA-N 434.374 4.227 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC[C@@H](O)c1cc2ccccc2s1 787339573 VMJMUXVMGKBETO-OAHLLOKOSA-N 439.415 4.361 5 20 IIBD Cc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc3ccccc3c2=O)nc1 789864804 RVLPZRDENYVISI-UHFFFAOYSA-N 449.448 4.198 5 20 IIBD C[C@@]12CCN(C(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C[C@@H]1C2(Cl)Cl 790848140 RYMBXLPAGAZEID-GXTWGEPZSA-N 426.222 4.339 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC1=CCN(C(=O)OC(C)(C)C)CC1 794172761 JECPBQUTAPEKNN-IBGZPJMESA-N 431.533 4.237 5 20 IIBD O=C(CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)NC[C@@H](CO)[C@H]1CCOC1 796445167 KHWPKJMWXRWHPK-SFTDATJTSA-N 429.516 4.308 5 20 IIBD O=C(Nc1ccccc1C(=O)N[C@H]1C[C@@H]1c1cccnc1)c1ccc([N+](=O)[O-])cc1Cl 798270678 SCYYCRIJJRKSQD-XLIONFOSSA-N 436.855 4.181 5 20 IIBD C[C@H](OC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 798785882 XSLJYIHPSVGYAR-QWRGUYRKSA-N 428.338 4.427 5 20 IIBD CC(=O)NCCN(Cc1ccc(Br)s1)Cc1cc([N+](=O)[O-])ccc1Cl 800499098 GHGSWKRERBKBIQ-UHFFFAOYSA-N 446.754 4.211 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 801091160 OLLXGGUUNZBLBD-UHFFFAOYSA-N 434.452 4.430 5 20 IIBD CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 806403182 WWEOGABDBVUVNE-ZDUSSCGKSA-N 432.399 4.135 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1occ2c1CCOC2 807969232 NWZKYGIWHFENFK-UHFFFAOYSA-N 442.449 4.418 5 20 IIBD COc1ccc([C@H]2CCN(S(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)C2)cc1 809392498 UBFFZNZBWVYDPO-LBPRGKRZSA-N 431.297 4.088 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN(C(=O)OC(C)(C)C)c2ccccc21 810051969 JHAQJJXWAQDUFN-UHFFFAOYSA-N 426.473 4.103 5 20 IIBD CCCN(CC1CCCCC1)C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810354776 IDXQPIOKWVQLGG-UHFFFAOYSA-N 426.311 4.115 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(=O)N[C@@H](C)c1ccc(F)cc1 823274386 FTLGXMXVSRWPEL-HOTGVXAUSA-N 443.475 4.147 5 20 IIBD COc1ccc([N+](=O)[O-])cc1OC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 899629127 NXDVXDNAJOJQDQ-UHFFFAOYSA-N 432.332 4.228 5 20 IIBD O=C(COC(=O)c1cc2c(F)cccc2[nH]1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 915472153 LSGNOAXDQCWJKW-UHFFFAOYSA-N 425.294 4.030 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 916443372 OXMRDQFJIHQYNB-LZWSPWQCSA-N 426.425 4.219 5 20 IIBD O=C(Nc1cccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1)c1ccccc1 917746662 NTJOFCAVKPRSMS-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD C=C1c2ccccc2C(=O)N1CCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 917792106 VYFSEBAAGUEEFX-UHFFFAOYSA-N 434.477 4.482 5 20 IIBD C[C@H](OC(=O)CCc1ccc(OC(F)F)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 919270355 JJMIWURZGXRQNJ-LBPRGKRZSA-N 433.367 4.483 5 20 IIBD Cn1cc(C(=O)OCc2ccc(OCC(F)(F)F)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 920552958 YFJRKMLHSDDKCB-UHFFFAOYSA-N 435.358 4.293 5 20 IIBD Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)n(-c2ccccc2C(F)(F)F)n1 921266693 DDALKIXIEJIHTB-UHFFFAOYSA-N 438.337 4.264 5 20 IIBD C[C@H](CCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N(C)C(=O)OC(C)(C)C 1318531926 SANAVZHIMHFBDW-CYBMUJFWSA-N 434.518 4.094 5 20 IIBD Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)N4Cc5ccc([N+](=O)[O-])cc5C4)cc3C2=O)c1 1318795280 NLCGFFOGBKBPAU-UHFFFAOYSA-N 441.443 4.168 5 20 IIBD Cc1c(C(=O)COC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cnn1-c1ccccc1 1321963252 ITIABHVHRUBSRD-UHFFFAOYSA-N 448.460 4.252 5 20 IIBD COc1cc(Br)c(OC)c(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 1334538596 HLQQMCWJCUQTBR-UHFFFAOYSA-N 435.274 4.179 5 20 IIBD O=C(c1ncc(Cl)s1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 1339566666 QSIQCIPTTDJEJM-UHFFFAOYSA-N 448.957 4.391 5 20 IIBD CC(C)(C)OC(=O)NCCCc1nnc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)o1 1345528663 JGTFVRLHVNXBKO-UHFFFAOYSA-N 431.474 4.226 5 20 IIBD COc1ccccc1C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1 1785749711 IXGOLTPZJFOVAW-UHFFFAOYSA-N 435.436 4.258 5 20 IIBD C[C@@H](Cc1ccccn1)C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1 1785752147 ZYXZKHXRVGCCNN-INIZCTEOSA-N 448.479 4.209 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]3C3CC3)cc2)CCC1)c1ccc(O)c([N+](=O)[O-])c1 1786056791 NBKKILFMVWIWLR-RTBURBONSA-N 435.480 4.094 5 20 IIBD Cc1cncc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccc([N+](=O)[O-])o4)cc3)CCC2)c1 1786206385 METSNOUHEAHMRN-VQHVLOKHSA-N 446.463 4.352 5 20 IIBD C[C@@H]1C[C@@]1(C)C(=O)NC1(c2ccc(NC(=O)Cc3cc([N+](=O)[O-])ccc3F)cc2)CCC1 1786672872 VOADGMPEXKYIGG-IQMFZBJNSA-N 439.487 4.457 5 20 IIBD C/C=C(\C)C(=O)NC1(c2ccc(NC(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2)CCC1 1790828167 WVAMDXKECAOSLZ-LZWSPWQCSA-N 433.468 4.185 5 20 IIBD Cc1cc(CCCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCC(C)C)c([N+](=O)[O-])cc1F 1801644346 VUZACKHJNJRELI-ACDBMABISA-N 447.551 4.439 5 20 IIBD Cc1c(C(=O)N2CCC3(CCCN(C(=O)C(C)(C)F)C3)CC2)cc(Cl)cc1[N+](=O)[O-] 1809614678 OGVLGEKERCKRLY-UHFFFAOYSA-N 439.915 4.150 5 20 IIBD C/C=C(\C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(C)c([N+](=O)[O-])c2)CC1 1830364467 QNUDLGDBPUZVEV-VREQBZOKSA-N 427.545 4.032 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(Nc2ccccc2F)s1 10316181 FJUXGYWCBHBTDP-SNVBAGLBSA-N 449.489 4.457 5 20 IIBD CCOC(=O)Nc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 10702078 FZPXTOKQRUAENF-LLVKDONJSA-N 435.820 4.001 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nc2ccccc2c(=O)n1CCC(C)C 11206027 APLKGCGKRPQGPP-UHFFFAOYSA-N 440.525 4.390 5 20 IIBD CCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2OCCOC)cc1[N+](=O)[O-] 19005407 ZNKZDVGYWSFYBT-UHFFFAOYSA-N 428.363 4.290 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(F)c1 21752997 OWKSRHOOHDOVKV-LLVKDONJSA-N 443.353 4.043 5 20 IIBD O=Cc1ccc(OCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c([N+](=O)[O-])c1 28611141 ZRWIOIYZGFSCNK-UHFFFAOYSA-N 436.264 4.462 5 20 IIBD Cc1occc1-c1nnc(SCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 29412105 GHEVFSJPCSLGBX-UHFFFAOYSA-N 449.492 4.499 5 20 IIBD CNC(=O)Nc1cccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1 29617306 OURARSFRUOJJOZ-GASCZTMLSA-N 425.489 4.081 5 20 IIBD CCOc1c(Cl)cc(CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])cc1OC 64113435 MPUJARMNIGYOPD-UHFFFAOYSA-N 444.875 4.232 5 20 IIBD Cn1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 64777415 MADZNYCOPFGVTM-UHFFFAOYSA-N 431.408 4.093 5 20 IIBD CNC(=O)c1ccc(N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)c([N+](=O)[O-])c1 64905006 HVYLAUYKAMIIBC-UHFFFAOYSA-N 441.491 4.444 5 20 IIBD CNC(=O)c1ccc(Sc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)c([N+](=O)[O-])c1 64905319 LNXFKASINCUFJY-UHFFFAOYSA-N 449.467 4.492 5 20 IIBD CN(C)[C@@H](CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccco1 69040113 AMBSFXOQNCBNMX-FQEVSTJZSA-N 442.903 4.486 5 20 IIBD CN1CCN(C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H](c2ccccc2)C1 71809101 HQAQCODYBWKROL-KRWDZBQOSA-N 439.459 4.221 5 20 IIBD COc1ccc([C@@H](CNC(=O)c2cc3ccccc3c3cccnc23)N2CCOCC2)cc1 107779038 KVNXDZUXYPPAPM-RUZDIDTESA-N 441.531 4.200 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N(C)Cc2cccc3ccccc23)ccc1[N+](=O)[O-] 110325277 PMCVZZQRFGPZTR-HSZRJFAPSA-N 431.492 4.320 5 20 IIBD COc1cc(OC)cc([C@@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)c2nccn2C)c1 111106514 IMRSDECSOXULFD-GOSISDBHSA-N 425.470 4.157 5 20 IIBD CCOc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1[N+](=O)[O-] 115153251 ACVAAFYXGWHCTB-UHFFFAOYSA-N 438.465 4.254 5 20 IIBD Cc1cc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)n(-c2ccccc2F)n1 116922313 ZCJRFSUKURTQIC-UHFFFAOYSA-N 448.458 4.342 5 20 IIBD O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1 139833141 UDTNHDGFXLPKNH-UHFFFAOYSA-N 443.423 4.072 5 20 IIBD CNS(=O)(=O)c1ccc(N[C@H](C)c2sc(-c3ccc(C)cc3)nc2C)c([N+](=O)[O-])c1 301205333 SFSBKLLKHNEMTB-CYBMUJFWSA-N 446.554 4.416 5 20 IIBD Cn1c(-c2ccccc2)cnc1Sc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] 301230543 HJLJYLIODFZFLE-UHFFFAOYSA-N 425.438 4.143 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)N1CCCC1 301632557 AZHRIPDOHJEQLN-GOSISDBHSA-N 425.510 4.385 5 20 IIBD C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 426273443 HBJYZCBKQMGZJM-IDPPAEMMSA-N 443.447 4.254 5 20 IIBD O=C(c1ccccc1)C1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 426282080 QNYRQUQJQYBFNU-UHFFFAOYSA-N 435.402 4.418 5 20 IIBD COc1cc(CN[C@@H]2CCCC[C@]2(C)C(=O)O)ccc1OCc1ccc([N+](=O)[O-])cc1 426750700 PQDFKHIUIPRJCN-GGAORHGYSA-N 428.485 4.306 5 20 IIBD CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 427429975 VZWKGTPWNDMIPN-FQEVSTJZSA-N 428.901 4.378 5 20 IIBD CCCNC(=O)Nc1ccc(CC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 427604968 UUPVUUJCTBITQH-UHFFFAOYSA-N 438.406 4.004 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CCC(Cn2cncn2)CC1 428325180 KSRJEGAQAFELIF-UHFFFAOYSA-N 429.546 4.021 5 20 IIBD O=C(N[C@@H]1CCn2ccnc2C1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 428353075 SRWPBMHGZVGWAR-CQSZACIVSA-N 428.901 4.341 5 20 IIBD COc1ccc([C@@H](CNC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c2c[nH]c3ccccc23)cc1 433874027 UCOQCLCTVMINBZ-GOSISDBHSA-N 447.495 4.493 5 20 IIBD CCn1cnnc1-c1cccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 436091828 VDGHYGLPCZRMFT-UHFFFAOYSA-N 445.429 4.490 5 20 IIBD CCN(CC)C(=O)c1ccc(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 436108123 PKFOVZDBMIUWJE-UHFFFAOYSA-N 427.504 4.093 5 20 IIBD CN(C)C(=O)C[C@@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])c2ccc(Cl)cc21 436388486 SHMTXKAHOMHZFV-SNVBAGLBSA-N 428.798 4.376 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCC[C@@H](c2nccs2)C1 436410234 MDERGFMYZGVQKY-GFCCVEGCSA-N 425.460 4.436 5 20 IIBD CN(Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1 436634455 ORVLENFGNOHJMK-UHFFFAOYSA-N 437.418 4.056 5 20 IIBD Cc1cccc2oc(CCNC(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc12 437373301 NCOFASRCMOPWNV-UHFFFAOYSA-N 436.390 4.224 5 20 IIBD CN(C(=O)c1ccc([N+](=O)[O-])cc1I)c1ccc(Cl)cc1F 439162269 CBBUSXCVTSMTET-UHFFFAOYSA-N 434.592 4.269 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC1(c2noc([C@@H]3CCOC3)n2)CCCCCC1 439931519 ZMYHTNHUSBVZHZ-OAHLLOKOSA-N 448.907 4.044 5 20 IIBD C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1ccc(C(F)(F)F)cc1 443402276 GPLWXMDZSMLMER-GFCCVEGCSA-N 428.432 4.232 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](CO)Cc1ccccc1OC(F)(F)F 443956082 CELYWGVPHAEPQE-CQSZACIVSA-N 441.406 4.083 5 20 IIBD Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)c1cnc(O)c([N+](=O)[O-])c1 445217278 PIHDFNZHIZBZGB-UHFFFAOYSA-N 426.816 4.162 5 20 IIBD CCOC(=O)c1cc(-c2nc(C(C)(C)c3ccc(OC)c(OC)c3)no2)cc([N+](=O)[O-])c1 445693128 UIDFJILHBMTEAO-UHFFFAOYSA-N 441.440 4.165 5 20 IIBD CCc1noc(-c2ccc(C)c(NC(=O)Cc3ccc([N+](=O)[O-])cc3Br)c2)n1 445932766 QAVVDRXFHCAGTM-UHFFFAOYSA-N 445.273 4.459 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CCN(c3cccc4cnccc34)C[C@H]2C)c1Br 447678727 AYCNQHGLISACCM-CYBMUJFWSA-N 442.317 4.324 5 20 IIBD COc1ccc(CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c2ccncc2)cc1 460359019 DVXMAQKKEXUOKY-UHFFFAOYSA-N 429.436 4.031 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CCOc2c(Cl)cccc21 462514891 RKUZMTAQZQTIQE-GFCCVEGCSA-N 437.688 4.357 5 20 IIBD Cc1cc(Br)ccc1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 463521664 VFPBRJQMGMLXEQ-UHFFFAOYSA-N 436.287 4.039 5 20 IIBD C[C@@H](NC(=O)c1c(Cl)cccc1I)c1ccccc1[N+](=O)[O-] 463685107 LMUPMKRTYFTVJJ-SECBINFHSA-N 430.629 4.344 5 20 IIBD CCc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])s2)c2cccc(S(C)(=O)=O)c2)cc1 464367708 STFMKGLYFBCCQG-FQEVSTJZSA-N 444.534 4.142 5 20 IIBD CSc1cc(C)ccc1CNC(=O)c1ccc([N+](=O)[O-])cc1I 465079303 HXWQSLWFQGGZCL-UHFFFAOYSA-N 442.278 4.160 5 20 IIBD Cc1cc(C[C@H](C)NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)n(-c2ccccc2)n1 467226057 AUPXSAATCXJNOR-AWEZNQCLSA-N 427.892 4.173 5 20 IIBD Cc1ccc(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c(O[C@@H]2CCOC2)c1 467350253 OLMUADFJDRVGAK-GOSISDBHSA-N 439.493 4.124 5 20 IIBD CC(C)c1ccc(CN2CCCN(c3nnc(C(F)(F)F)s3)CC2)cc1[N+](=O)[O-] 467365369 PLHSAPBACPMIBH-UHFFFAOYSA-N 429.468 4.301 5 20 IIBD Cc1ccccc1C1(CNC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)CCCCC1 468966605 MGJOUFORULMQAV-UHFFFAOYSA-N 449.507 4.189 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(Cl)cc2-n2cccn2)cc1[N+](=O)[O-] 472670466 FXBIGJXZMQAIRF-UHFFFAOYSA-N 432.889 4.314 5 20 IIBD O=c1ccc([N+](=O)[O-])cn1C[C@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 474665784 XSBOGQRVPYFPMD-IBGZPJMESA-N 449.290 4.230 5 20 IIBD CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 475212234 MINAPFGITMZILE-QWHCGFSZSA-N 430.427 4.162 5 20 IIBD Cc1nc(NC(=O)c2csc(-c3ccc(Br)s3)n2)ccc1[N+](=O)[O-] 475302458 YUHHXFQCTMAXCI-UHFFFAOYSA-N 425.289 4.498 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)CCc1ccc(I)cc1 477691500 IWVIVHFILGTCBA-ZDUSSCGKSA-N 438.265 4.259 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H](C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 478161876 FWVXRXFDKHNXCV-CYBMUJFWSA-N 444.509 4.008 5 20 IIBD C[C@@H]1c2nncn2CCN1C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 481762238 MHKQXXFUCLVCBP-GFCCVEGCSA-N 429.889 4.208 5 20 IIBD C[C@H](N[C@H](C)c1ccc(Br)cn1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 482960137 NBVHRAWAXHCEJX-ZJUUUORDSA-N 427.686 4.084 5 20 IIBD COc1ccc(Nc2ccc3ncccc3c2[N+](=O)[O-])cc1S(=O)(=O)N1CCCCC1 485896856 XMILRXCXEKMWDG-UHFFFAOYSA-N 442.497 4.070 5 20 IIBD COc1ccc(Sc2ccc(NC(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)cc2Cl)cc1 485968590 RQGNLFYOXGODOD-UHFFFAOYSA-N 445.884 4.208 5 20 IIBD O=C(c1ccc(Oc2ccncc2)c(Cl)c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 486995421 ICEYFBRXWYALPF-UHFFFAOYSA-N 427.848 4.109 5 20 IIBD O=C(Nc1cccc(-c2ccc3c(c2)CCO3)n1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 487416973 DLXFGUYRZSGVJD-UHFFFAOYSA-N 427.420 4.030 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(-c3cc(F)cc(F)c3)nn2C)cc1SC 487484486 DPKOTTNDTVGYKG-UHFFFAOYSA-N 434.424 4.256 5 20 IIBD CC(C)(c1ccccc1)c1nnc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)s1 487512379 SYNLYKXFVRLXIA-UHFFFAOYSA-N 434.481 4.210 5 20 IIBD COc1cc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)ccc1NC(=O)c1cccnc1 497895267 XLUPEBKZVFKESP-UHFFFAOYSA-N 443.419 4.051 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2ccnc(-c3ccccc3)c2)cc1[N+](=O)[O-] 500443681 WPDPSNGQXUZPRX-UHFFFAOYSA-N 432.465 4.189 5 20 IIBD CN(C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(S(C)(=O)=O)c1 500491834 KHBXBFIXCCYYTD-UHFFFAOYSA-N 442.518 4.426 5 20 IIBD COc1cccc(N2CCN(c3c([N+](=O)[O-])cnc4ccc(Br)cc34)CC2)c1 502096004 HSAJBTXSFDPINP-UHFFFAOYSA-N 443.301 4.241 5 20 IIBD CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)cc1 502706434 GNFXVFAJNCZXOW-SFHVURJKSA-N 430.526 4.273 5 20 IIBD CN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@H]1CCSc2ccc(Br)cc21 505981322 JRFXYLMLBXERKY-HNNXBMFYSA-N 436.331 4.465 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1[N+](=O)[O-])c1ccccn1 506220921 RNRBMACLSMEEJH-OAHLLOKOSA-N 425.533 4.202 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(Sc3nnc(-c4ccco4)n3-c3ccccc3)cc2N1 506876286 NHFBRVFFWOGFLI-UHFFFAOYSA-N 433.449 4.471 5 20 IIBD Cc1ccc(S(=O)(=O)N(Cc2cccc(Br)c2)C2CC2)c([N+](=O)[O-])c1 507472973 UAKLNEQFJRIROB-UHFFFAOYSA-N 425.304 4.019 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 509471852 QLLVUIPGGHAVSF-QFIPXVFZSA-N 425.485 4.437 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 509749075 DFVPNNIBGPHQKN-UHFFFAOYSA-N 446.498 4.458 5 20 IIBD COc1cc(O)cc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 510902245 KAOVRKHATMWMIT-UHFFFAOYSA-N 439.390 4.183 5 20 IIBD Cc1nc2ccccc2n1CCNC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 512593121 SGICOMPBQRWKRF-IAGOWNOFSA-N 435.528 4.165 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc(N4CCCC4=O)cc3)cc2[N+](=O)[O-])C1 513829127 WRLAOJMNCWKBPS-IRXDYDNUSA-N 436.512 4.456 5 20 IIBD Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 515631519 ZTYZCBGRQRFPLV-HUUCEWRRSA-N 445.541 4.131 5 20 IIBD C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 517733565 TZDVOUQLXGNMSI-HNNXBMFYSA-N 438.450 4.448 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCSC[C@H]1c1ccccc1 524533098 MNLHHSLPAKGHII-KRWDZBQOSA-N 426.416 4.466 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC(C)(C)C)cc1 525057038 XFDMIYKGKZQSRC-LJQANCHMSA-N 445.541 4.262 5 20 IIBD CCc1ccc([C@@H](COC)NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)o1 525550712 IAHZISHYVBTIDI-MGPUTAFESA-N 438.484 4.436 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 525672714 FAMOUPMPCVCFNL-UHFFFAOYSA-N 430.439 4.446 5 20 IIBD O=C(Nc1cc(Cl)ccc1OCC1CCC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 525972546 UIVQFIOFMIOSIN-UHFFFAOYSA-N 445.907 4.176 5 20 IIBD CN(Cc1cccc(Cl)c1Cl)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 532891732 PXOXNKGZBZOVIH-UHFFFAOYSA-N 448.209 4.100 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCc2ccc(O)c(F)c2)cc1[N+](=O)[O-] 533188947 HCGGOMFTLRWVMF-UHFFFAOYSA-N 440.452 4.322 5 20 IIBD O=C(CCSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Nc1ccc2c(c1)OCO2 534059317 NFIGFSSTTBHCFK-UHFFFAOYSA-N 427.438 4.241 5 20 IIBD CN(CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 534134032 ANIGAFJAPRDZRJ-UHFFFAOYSA-N 434.374 4.099 5 20 IIBD O=C(Nc1ccc(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cc1)c1ccc(F)cc1 534981025 AWLITWPJKINEIB-UHFFFAOYSA-N 432.411 4.398 5 20 IIBD C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 535379145 RLDVFRTXSCLIPU-LLVKDONJSA-N 434.265 4.268 5 20 IIBD CCN(C(=O)[C@H](C)[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCCC1 535512088 WRCOGIQTXGKASS-INCQDFKNSA-N 433.530 4.068 5 20 IIBD Cc1cc(NC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])n([C@@H]2CCN(Cc3ccccc3)C2)n1 539255197 AOCGCZCUOLRQKB-AZUAARDMSA-N 448.527 4.429 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 539318813 KAPIXNWCOSBYBA-XLIONFOSSA-N 449.479 4.075 5 20 IIBD CCCc1ccc(-c2cc(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)n(CCO)n2)cc1 541797035 MSWKHBMIJYCXHP-HNNXBMFYSA-N 440.475 4.284 5 20 IIBD Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)CSc1ccccc1[N+](=O)[O-] 542190061 FYSMHQSLHGIIOE-UHFFFAOYSA-N 430.486 4.126 5 20 IIBD C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F 542528712 ZECUKWCTLJQMLK-WDEREUQCSA-N 427.245 4.486 5 20 IIBD COc1ccc(NC(=O)N[C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] 542960563 BLXKMEBGCOSIAX-YCRPNKLZSA-N 429.473 4.050 5 20 IIBD O=C(Nc1ncc(C2CCCCC2)s1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 543857478 HMEFEUVORINFQB-CYBMUJFWSA-N 434.543 4.404 5 20 IIBD COc1cc(C)c([C@@H](C)NC(=O)COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC 544074024 SODGPUZINMJVAS-GFCCVEGCSA-N 442.390 4.195 5 20 IIBD CN(Cc1nc(Cc2c[nH]c3cccc(Br)c23)no1)c1ccccc1[N+](=O)[O-] 545787027 PLAWYAHXFOCWEW-UHFFFAOYSA-N 442.273 4.449 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2CCOC(C)(C)C2)cc1[N+](=O)[O-] 546662093 HMRSTSPZRINVBZ-OAHLLOKOSA-N 428.510 4.235 5 20 IIBD O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@H]1c1nc(-c2ccccc2Br)no1 549611246 ABSMPHDASKDIOY-KRWDZBQOSA-N 445.273 4.450 5 20 IIBD CCn1c(SCC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])nnc1-c1cccs1 553719430 NCQSLPQYPMRDFZ-UHFFFAOYSA-N 431.543 4.078 5 20 IIBD Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)N2CCCC2)o1 555799199 RXVOJQNMOYXVET-KRWDZBQOSA-N 436.306 4.134 5 20 IIBD CN(CC(=O)NC(c1ccccc1)c1ccccc1)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] 557865853 VAHYRSGMGJPWBO-UHFFFAOYSA-N 445.519 4.237 5 20 IIBD O=C(NC1(Cc2ccccc2Br)CC1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 558026547 LYVYNWXFMOFBRK-UHFFFAOYSA-N 442.269 4.116 5 20 IIBD COc1cc(Cc2noc(-c3cc(F)cc(Br)c3)n2)c([N+](=O)[O-])c(OC)c1 564526536 BHUUUUBFMBNSOH-UHFFFAOYSA-N 438.209 4.154 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CC[C@@H](n4cc(Cl)cn4)C3)c([N+](=O)[O-])c2)cc1 564575880 PJJPEHMPPPBJRM-GOSISDBHSA-N 425.876 4.457 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1ccccc1OC 565623915 AANCVWDZCAUIEJ-QFIPXVFZSA-N 433.464 4.010 5 20 IIBD CC1(C)Oc2ccc(-c3noc(-c4cc([N+](=O)[O-])ccc4C(F)(F)F)n3)cc2NC1=O 566930020 STSQRWUDOKUEHJ-UHFFFAOYSA-N 434.330 4.440 5 20 IIBD CCOC(=O)[C@@H](c1ccc(Cl)cc1)N(C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)C1CC1 573041263 RVSQZUGODXWYOR-OAQYLSRUSA-N 446.887 4.095 5 20 IIBD COc1cc(Cc2noc(-c3ccccc3OCc3ccncc3)n2)c([N+](=O)[O-])c(OC)c1 583169778 VBQGVRBADHWAEZ-UHFFFAOYSA-N 448.435 4.227 5 20 IIBD O=C(N[C@@H](c1noc(CCOc2ccc(Cl)cc2[N+](=O)[O-])n1)C1CC1)c1ccccc1 583467099 MKPUXVJJYSYXES-LJQANCHMSA-N 442.859 4.134 5 20 IIBD CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 590235726 JYIJUNLDGZOWCP-IBGZPJMESA-N 441.450 4.257 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CCC(O)(Cc2ccncc2)CC1 590341535 UEFVOPVMSGNEQV-UHFFFAOYSA-N 441.553 4.234 5 20 IIBD COCC(=O)Nc1cccc(CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)c1 603557172 WGOLEHNQNRPLEU-UHFFFAOYSA-N 439.443 4.401 5 20 IIBD Cc1c([C@@H](C)NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(F)cc1 603575166 MRHTWQKZSHZDEU-OAHLLOKOSA-N 425.464 4.298 5 20 IIBD CN(C)C(=O)c1cc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])ccc1Cl 603740077 PVMPMEKGEHGZPV-UHFFFAOYSA-N 445.781 4.143 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccnc1Oc1cccc(C)c1C 603985495 MUJMCNFUMMAARH-UHFFFAOYSA-N 429.454 4.208 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 604276896 XWYLFYKMZHJCSQ-RYUDHWBXSA-N 427.345 4.295 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2cnn(Cc3ccccn3)c2)cc1[N+](=O)[O-])c1ccccn1 604548965 OICVNGVGWIMBJX-INIZCTEOSA-N 443.467 4.055 5 20 IIBD CC[C@H]1CCc2nc(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)sc2C1 608804738 GVUUDUMQMNWSQV-KBXCAEBGSA-N 442.541 4.118 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(CN(C)Cc2ccccc2)CC1 608964591 UVMBVCNKOLGZSK-GOSISDBHSA-N 427.570 4.446 5 20 IIBD O=C(COc1ccc(OCc2ccccc2)cc1)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 609151512 VQKPYNRFCXOLOL-UHFFFAOYSA-N 444.447 4.377 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 609186761 OHWYBOYPONMVTJ-QGZVFWFLSA-N 427.457 4.430 5 20 IIBD Cc1ccc(C(C)C)c(Oc2ccc(CNCC(C)(C)NS(C)(=O)=O)cc2[N+](=O)[O-])c1 609466655 ZXBJIZADLCRZSI-UHFFFAOYSA-N 449.573 4.236 5 20 IIBD O=C(Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1F 609697095 JCAQDCYWJDLZAS-UHFFFAOYSA-N 428.441 4.101 5 20 IIBD Cc1ccc(OC2CCN(C(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)CC2)cc1 609730058 MSSHHCODFBNRBL-UHFFFAOYSA-N 448.523 4.448 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(CC(=O)N2CCc3ccccc32)cc1 610000225 NSQKPOFFWGAYAM-UHFFFAOYSA-N 444.491 4.086 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@H](C)O[C@H](C(F)(F)F)C2)cc1 610398766 NJZSLORXZZLHGG-SGTLLEGYSA-N 440.374 4.188 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(C(F)(F)C(F)(F)F)cc2)cc1[N+](=O)[O-] 610609174 LYQXUMJTLGXPPA-LLVKDONJSA-N 445.344 4.373 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1CCC[C@@H](n2ccnc2)C1 610945229 UTVCDQWUFZDSIN-NQIIRXRSSA-N 439.903 4.462 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(Oc3cccc(F)c3I)cc2N1 611001712 GDRXPIIAVLTSCN-UHFFFAOYSA-N 428.157 4.016 5 20 IIBD O=C(Nc1ccn(-c2ncccc2F)n1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 611164292 MESDBHDZHGQGJV-UHFFFAOYSA-N 432.415 4.179 5 20 IIBD O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611201551 ZMEMHCIIPJOCPH-ZDUSSCGKSA-N 431.480 4.244 5 20 IIBD C[C@@]12CCCN1C(=O)N(Cc1ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c1)C2=O 611482560 LVLXWUGHLGDJIM-FQEVSTJZSA-N 433.823 4.496 5 20 IIBD COC(=O)c1cc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c(Br)cc1F 617841725 ZCVCLGQBUCRZEK-VIFPVBQESA-N 425.210 4.025 5 20 IIBD O=C(Nc1nnc(/C=C\c2ccco2)s1)c1sc(Br)cc1[N+](=O)[O-] 618386897 AXBAHIXCBVQKOK-ARJAWSKDSA-N 427.261 4.286 5 20 IIBD C[C@@H](Nc1ccc(C(=O)OCc2cnc3ccccc3n2)cc1[N+](=O)[O-])c1ccccn1 726341826 MNDKEISZTDIDJG-OAHLLOKOSA-N 429.436 4.463 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)c1cccc2cccnc12)c1cccc([N+](=O)[O-])c1 726936020 IMPRLDOCCUXVHY-LJQANCHMSA-N 433.464 4.385 5 20 IIBD CCC[C@@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1I 727796448 IERVQJYAXFESMQ-AWEZNQCLSA-N 438.265 4.341 5 20 IIBD O=C(NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 730691383 WANXIQLZDGZUBH-RYUDHWBXSA-N 449.699 4.164 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC([C@H](O)c2ccc(F)cc2)CC1 731105583 KWOYNWJCCKIPTF-GOSISDBHSA-N 439.390 4.313 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccc(Br)cc1F 732029005 FCHBDMVXGPJRLC-UHFFFAOYSA-N 439.284 4.373 5 20 IIBD COc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)s2)cc1 733771946 DBKXHLMQPWONHN-NSHDSACASA-N 442.453 4.435 5 20 IIBD CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 733984513 NQTVUINFHNVPFN-XCLFUZPHSA-N 443.928 4.071 5 20 IIBD CCc1c(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1-c1ccc(F)cc1 735442777 HVSKQTPOUWXYNL-UHFFFAOYSA-N 436.399 4.494 5 20 IIBD COc1cc(N2CCC(OC(=O)/C=C\c3nc4ccccc4s3)CC2)ccc1[N+](=O)[O-] 739384672 JYCHTTBTDAIIAA-HJWRWDBZSA-N 439.493 4.439 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)Nc2cccc(C)c2C)c([N+](=O)[O-])cc1OC(F)F 744535334 XZPJFHPBBYZMDR-LBPRGKRZSA-N 438.383 4.006 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)c1 745386406 SZKQZKMEUIWRSA-HXUWFJFHSA-N 428.441 4.166 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)OCC(=O)N(c1ccccc1)C1CCCCC1 746608694 IILQAFULQADSBA-UHFFFAOYSA-N 430.432 4.022 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1)N1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 746655805 QLBMAKVBSURQHO-UHFFFAOYSA-N 427.810 4.225 5 20 IIBD C[C@H](OC(=O)CC1(NC(=O)OC(C)(C)C)CCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 747058380 JPZCLPSEZVZGTK-ZDUSSCGKSA-N 446.460 4.087 5 20 IIBD CN(C)CCN(Cc1cccs1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 749436903 OKZDRNIXJJTFFV-UHFFFAOYSA-N 446.754 4.276 5 20 IIBD CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1 749865253 ZNJFCYWYGHBGQL-UHFFFAOYSA-N 445.884 4.326 5 20 IIBD O=C(OCc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1)C1CCN(c2cnccn2)CC1 752216351 IYZYYPPKBSQRHA-UHFFFAOYSA-N 434.452 4.137 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccccc1)C[C@@H](O)c1ccco1 752769886 UOIXXUQZHJOVAW-OXJNMPFZSA-N 426.494 4.431 5 20 IIBD C[C@H]1C[C@@H](CCNC(=O)c2cccc([N+](=O)[O-])c2Br)CN1Cc1ccccc1 758860542 DHLKRAJNQOQKBV-DOTOQJQBSA-N 446.345 4.388 5 20 IIBD CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 759017379 DQNIBRFNGHCRTD-UHFFFAOYSA-N 447.451 4.485 5 20 IIBD O=C(Nc1n[nH]c(-c2cc3ccccc3o2)n1)c1cccc([N+](=O)[O-])c1Br 760913198 FHNCBGIDDAYUOV-UHFFFAOYSA-N 428.202 4.141 5 20 IIBD O=C(NC[C@H](O)c1cccc(OCc2ccccc2)c1)c1cccc(Cl)c1[N+](=O)[O-] 761601276 PQSREKLIDMQPRG-FQEVSTJZSA-N 426.856 4.291 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCC(OCCC(C)C)CC2)c1=S 764904311 ZZYCBCFXOLUBNI-UHFFFAOYSA-N 433.578 4.494 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)N[C@H](C)c1ccc(Cl)cc1 766223917 IWJKFPIDJBTZQD-OLZOCXBDSA-N 427.844 4.219 5 20 IIBD C[C@H](Cc1ccc(Br)cc1)C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 766238636 VEFTXHVCOSYUCH-GFCCVEGCSA-N 446.257 4.329 5 20 IIBD O=C(OCc1nncn1C1CC1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 773848319 QDIHCQTXMAVCIM-UHFFFAOYSA-N 427.848 4.144 5 20 IIBD C[C@H]1[C@H](C)N(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCN1C(=O)OC(C)(C)C 776502256 HEQUNYJRKYDZJV-KBPBESRZSA-N 446.529 4.188 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(OCCCC(=O)O)cc2)CC1 776651168 YLKDWSRHNHWFHQ-UHFFFAOYSA-N 441.484 4.327 5 20 IIBD CCN(C(=O)COC(=O)c1cccc(SC)c1[N+](=O)[O-])c1nc2ccccc2s1 777073231 CFADUNMKDZEQKP-UHFFFAOYSA-N 431.495 4.136 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)CCc1nc(O)c2c3c(sc2n1)CCC3 778755345 MAFUTDLWGWQPMW-LBPRGKRZSA-N 427.482 4.339 5 20 IIBD CC1CCC(NC(=O)[C@H](C)OC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 781258569 UUQGBSPUZAGUDU-UYJPIKCFSA-N 442.462 4.200 5 20 IIBD COc1ccc(-c2csc(NC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)cc1F 781577506 ZQFDELPFZFSQGY-UHFFFAOYSA-N 446.416 4.346 5 20 IIBD O=C(Nc1nc(Br)ccc1O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 783902409 YJRZNVIVZBZTLO-UHFFFAOYSA-N 446.207 4.075 5 20 IIBD Cc1cc([C@H](C)NC(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2Br)c(C)s1 784631768 VQUWAHTUNRPMPF-JTQLQIEISA-N 440.319 4.160 5 20 IIBD CC(C)(C)OC(=O)c1ccccc1C1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 784736567 DEQCRZUCEDXENE-UHFFFAOYSA-N 425.485 4.152 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC[C@H]2c2ncc(-c3cccc(F)c3)[nH]2)cs1 788958933 ORYARGWHKWSZJO-INIZCTEOSA-N 436.490 4.101 5 20 IIBD COc1nc(Br)ccc1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 789420870 XSFIMXJPJBJQHK-UHFFFAOYSA-N 435.259 4.137 5 20 IIBD Cc1cnc(COC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)c(C)c1[N+](=O)[O-] 789442769 KZXQMQPUGZHCKD-KRWDZBQOSA-N 433.892 4.148 5 20 IIBD C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 791030400 UPLOFNXDJSWLMJ-GFCCVEGCSA-N 437.374 4.403 5 20 IIBD C[C@H](CCOc1ccccc1)C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791167083 HJPAEIJWSXRZQL-CQSZACIVSA-N 433.302 4.347 5 20 IIBD CN(C)c1cc(F)c(C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)cc1[N+](=O)[O-] 791399523 PYXUUCDYXBJAIJ-UHFFFAOYSA-N 437.353 4.257 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CN(Cc3ccccc3)C[C@@H](O)c3ccccc3)n2)cc1 796356185 IUIMHZDGEQGVSX-JOCHJYFZSA-N 430.464 4.381 5 20 IIBD NC(=O)C1CCN(c2ccc(Nc3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)cc2)CC1 797435475 SLCWJDONALSYEL-UHFFFAOYSA-N 435.459 4.241 5 20 IIBD COc1cc([N+](=O)[O-])ccc1COC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 797473944 TVRDDPAWKFZHDV-UHFFFAOYSA-N 432.517 4.292 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 798783661 JNAMDKJCQLTVAC-RYUDHWBXSA-N 440.374 4.296 5 20 IIBD COCCCOc1ccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1OC 803470586 ZVUBYCWGVBDZRV-UHFFFAOYSA-N 439.262 4.034 5 20 IIBD CC[C@@H](C)Oc1cccc(NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c1 810393102 MRBDLVDPMHQYNT-LLVKDONJSA-N 436.262 4.112 5 20 IIBD CCc1ccc(C(=O)N2CCC([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1[N+](=O)[O-] 810949983 VESKCMVRMVXYDN-LJQANCHMSA-N 431.533 4.266 5 20 IIBD C[C@H](C(=O)OCC(=O)c1ccc(C(F)(F)F)nc1Cl)c1ccc([N+](=O)[O-])cc1F 811182200 ULLYIYFZKDYDES-QMMMGPOBSA-N 434.729 4.331 5 20 IIBD NC(=O)C1CCN(Cc2cccc(NCc3cc(Cl)cc(Cl)c3[N+](=O)[O-])c2)CC1 811468864 LGZLSMXJORDAQS-UHFFFAOYSA-N 437.327 4.211 5 20 IIBD Cc1cc(N2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 813626498 AGDWZNZBFUSDKG-MJGOQNOKSA-N 439.516 4.196 5 20 IIBD Cc1c(C(=O)O[C@@H](c2nc3ccccc3o2)C(F)(F)F)nnn1-c1cccc([N+](=O)[O-])c1 816062758 VXMKGWCBAFHYQF-INIZCTEOSA-N 447.329 4.086 5 20 IIBD Cc1c(C(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 817763412 YSFQSWJCCQDTQF-AWEZNQCLSA-N 448.273 4.279 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCC4(CC3)OCCCO4)cc2[N+](=O)[O-])cc1 818400242 DZSWWESNSOYBIU-UHFFFAOYSA-N 428.510 4.424 5 20 IIBD O=C(COc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1)NCC1CCCCC1 844160140 VPZMWBQBPOZNOH-UHFFFAOYSA-N 436.464 4.444 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cccc(N4CCOC4=O)c3)cc2[N+](=O)[O-])C1 914726436 SSWPOYYVGPVYNX-HZPDHXFCSA-N 438.484 4.286 5 20 IIBD Cc1c(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 914744307 SDIUIFLYKBOLJD-MYJAWHEDSA-N 443.300 4.451 5 20 IIBD CN1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)cc2)CC1 915828805 SCAFGNCCHKDJNL-UHFFFAOYSA-N 432.480 4.391 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1OC(=O)/C(=C\c1cccs1)n1nnnc1-c1ccccc1 916403734 UHSVDBHHUFIDNM-QGOAFFKASA-N 433.449 4.222 5 20 IIBD CCC[C@@H](C(=O)Oc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-])c1ccccc1 916959379 JKICKKCTPLDQNQ-GOSISDBHSA-N 434.514 4.115 5 20 IIBD Cc1sc(NC(=O)COc2ccc3ccc(=O)oc3c2)nc1-c1cccc([N+](=O)[O-])c1 917792108 VZWGBGQNPZDGMD-UHFFFAOYSA-N 437.433 4.151 5 20 IIBD C[C@H](Cc1ccc(F)cc1)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 921108389 LKFFJPMXIHMTID-LLVKDONJSA-N 428.338 4.113 5 20 IIBD COc1cc(OCC(=O)OCc2csc(Cc3ccc(Cl)cc3)n2)ccc1[N+](=O)[O-] 921109913 SUXKERMDWSEBRM-UHFFFAOYSA-N 448.884 4.426 5 20 IIBD O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CCc2c(ncn2CCc2ccccc2)C1 929070721 UIKLGUYLAFHHGD-UHFFFAOYSA-N 444.413 4.251 5 20 IIBD CC[C@]1(c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)CCN(C(=O)OC(C)(C)C)C1 1116594506 MTRPQPKTOPBUDC-QFIPXVFZSA-N 441.488 4.339 5 20 IIBD O=C(COC(=O)c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1)c1ccc([N+](=O)[O-])cc1 1317858697 SRAYUIDEKVOAMU-UHFFFAOYSA-N 442.431 4.246 5 20 IIBD CCn1c(COc2ccc(C)cc2)nn(CN2CCc3ccc([N+](=O)[O-])cc3C2)c1=S 1319749685 KVUUAEBRMNFSAD-UHFFFAOYSA-N 439.541 4.245 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(-c2ccc(CS(=O)(=O)c3ccccc3)o2)n1 1320497662 NSQHQFNIBYPKEI-UHFFFAOYSA-N 439.449 4.496 5 20 IIBD Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1333422927 PDJULQYOZUIAEE-UHFFFAOYSA-N 440.887 4.332 5 20 IIBD CC(C)(C)OC(=O)N[C@H](c1ccccc1)c1noc(Cc2ccc(F)cc2[N+](=O)[O-])n1 1334087220 YHNUAGJMQPBZDS-GOSISDBHSA-N 428.420 4.322 5 20 IIBD C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1C(=O)c1sc(Br)cc1[N+](=O)[O-] 1337530190 PNWQWKTUHRHYGW-ZETOZRRWSA-N 425.304 4.410 5 20 IIBD Cn1c(C(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc2cc(C(F)(F)F)ccc21 1339524859 BFJJLHRNBRMNBS-UHFFFAOYSA-N 446.429 4.063 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccc(C2(NC(=O)CCc3ccc[nH]3)CCC2)cc1 1786204467 KUXHENYFLPRCOT-FMIVXFBMSA-N 448.479 4.296 5 20 IIBD O=C(NC1(c2ccc(NC(=O)C3(F)CCCCC3)cc2)CCC1)c1ccc([N+](=O)[O-])[nH]1 1789161054 HBACSPFYGZZBAH-UHFFFAOYSA-N 428.464 4.343 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1)c1ccc2ncoc2c1 1790186400 QAGKWMHTMPLJOO-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD O=C(Cc1cc(F)ccc1[N+](=O)[O-])N1CCC2(CCCN(C(=O)CC3CCCC3)C2)CC1 1808945379 UFRNXLKEGWVCPE-UHFFFAOYSA-N 445.535 4.088 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC([C@H]2CCCCN2C(=O)c2ccsc2)CC1 1825796812 RCEKVKBDMKETPB-HXUWFJFHSA-N 445.516 4.343 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC2CCC2)CC1 1830792372 PCJZBJFSZIVTEA-HXUWFJFHSA-N 443.544 4.032 5 20 IIBD CCCn1c2ccccc2c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)nc21 10007423 AWHUIKPYONCJTN-UHFFFAOYSA-N 436.497 4.337 5 20 IIBD O=C(COC(=O)Cn1c2ccccc2c(=O)c2ccccc21)Nc1cc(Cl)ccc1F 11278202 WCDYOCCQVPGLNF-UHFFFAOYSA-N 438.842 4.129 5 20 IIBD NC(=O)c1ccc(SCC(=O)Nc2nc(-c3ccccc3Cl)cs2)c([N+](=O)[O-])c1 14375408 NPLXLLMTKPKUNP-UHFFFAOYSA-N 448.913 4.201 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)cc(Cl)c1 15434899 GANSYDYTFUOCRI-MRXNPFEDSA-N 442.324 4.392 5 20 IIBD Cc1cccc(Nc2nnc(SCC(=O)N3CCc4cc([N+](=O)[O-])ccc43)s2)c1 16805190 KAWFMBSFRRFSOZ-UHFFFAOYSA-N 427.511 4.180 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(C(C)C)nc3ccccc23)c([N+](=O)[O-])c1 18599790 YMLARDHFVIXERH-AWEZNQCLSA-N 437.452 4.459 5 20 IIBD CC(C)[C@H](NC(=O)COc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)OCCCO2 19047036 OJPULOBHACFSRB-NRFANRHFSA-N 434.876 4.302 5 20 IIBD CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1ccc([N+](=O)[O-])cc1 39761400 RCGYWFOEIYVCLA-UHFFFAOYSA-N 432.889 4.414 5 20 IIBD CCOC(=O)Cc1csc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)n1 46879380 XVSULEDYVPXLRB-UHFFFAOYSA-N 427.438 4.202 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 60165982 UBSWJVIFSTVMHO-UHFFFAOYSA-N 433.873 4.331 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cccc(OCCc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 62687422 DAHOJTMPVONZEV-KRWDZBQOSA-N 433.464 4.032 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 65864832 XPVSSXKHWICYAP-UHFFFAOYSA-N 427.545 4.055 5 20 IIBD C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)c1cccc([N+](=O)[O-])c1 108291392 VGPWXTLXABDRGU-XIKOKIGWSA-N 436.295 4.384 5 20 IIBD CCCOc1ccc(C(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc1OCCC 109221963 GWZZGUFPMAUZKT-UHFFFAOYSA-N 441.528 4.130 5 20 IIBD COc1cc(CNC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c([N+](=O)[O-])cc1O 237356511 UOGCVRWPULGGER-UHFFFAOYSA-N 440.327 4.370 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSc1nnc(NC2CCCCC2)s1 261458390 RYCDEBHAXLULDY-UHFFFAOYSA-N 435.531 4.281 5 20 IIBD Cc1nc(C)c(CCNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])s1 301204902 ONKWNJFKRPNSAP-UHFFFAOYSA-N 432.527 4.124 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2nc(Cc3ccc(Br)cc3)no2)nc1 301223808 DOZAYIHGTSTVFX-OAHLLOKOSA-N 430.262 4.068 5 20 IIBD O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 302052239 JEMGPHLYPNNVII-UHFFFAOYSA-N 445.479 4.201 5 20 IIBD CN(Cc1ccc(Br)cc1Cl)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] 302721444 MDUOFDWZSZEOCZ-UHFFFAOYSA-N 439.740 4.112 5 20 IIBD C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 410180307 ZZKVBONYPNOZGU-SNVBAGLBSA-N 427.240 4.469 5 20 IIBD O=C(NCCn1cc([N+](=O)[O-])cn1)Nc1ccc(Oc2cccc(F)c2)c2ccncc12 426083227 ASQCRHRLDAXNQI-UHFFFAOYSA-N 436.403 4.093 5 20 IIBD O=C(c1ccc(S(=O)(=O)c2ccccc2)s1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 427574677 YKVULEQOGCTJHY-UHFFFAOYSA-N 442.518 4.294 5 20 IIBD C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 427867152 AVUJAMLJVDLVDT-GJZGRUSLSA-N 433.892 4.493 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCc2ccc(Br)cc21 430914198 IGZSPIYHNNDFBB-UHFFFAOYSA-N 426.064 4.323 5 20 IIBD C[C@H]1CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C[C@]2(CCCOC2)O1 432163693 OXLSLITVXILCMY-AOMKIAJQSA-N 427.457 4.189 5 20 IIBD C[C@@H]1CC[S@](=O)CCN1C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 432448352 NVMIXJOAGDMACV-QYSRSOONSA-N 438.958 4.383 5 20 IIBD O=C(NCc1cn2cc(Cl)ccc2n1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 435934603 ASDMWKOWRYOHEN-UHFFFAOYSA-N 438.821 4.191 5 20 IIBD CCOc1ccc(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc1OC 436092303 KWOSRJTZSKWHME-UHFFFAOYSA-N 438.430 4.297 5 20 IIBD Cc1ccc(CC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1Br 437890372 QHZKTHSQZWJPRD-UHFFFAOYSA-N 433.302 4.278 5 20 IIBD COC(=O)c1c(C2CC2)csc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 439662340 JEJPXGUKIOCFAZ-UHFFFAOYSA-N 425.260 4.335 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)CCOC1CCOCC1 439791324 KEDXXFBTQAPHRW-UHFFFAOYSA-N 448.497 4.024 5 20 IIBD C[C@@H](NC(=O)CCc1ccccc1)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 440622754 HYGFGEJJQQDPHT-QGZVFWFLSA-N 433.464 4.463 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H](c2c[nH]c3ccccc23)C(F)(F)F)c1 443441715 BFVCDYIRBATAIG-KRWDZBQOSA-N 427.404 4.275 5 20 IIBD CC(=O)Nc1ccc(NC(=O)Cc2noc(-c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)n2)cc1 445420472 VSWXPLUYOIRWBX-UHFFFAOYSA-N 437.456 4.082 5 20 IIBD CCOc1cc(-c2nc(Cc3cc(OC)cc(OC)c3[N+](=O)[O-])no2)cc(Cl)c1O 445822451 RZLWBRRFWRCMPV-UHFFFAOYSA-N 435.820 4.011 5 20 IIBD CC(C)(C(=O)Nc1ccc(Nc2ccc(C(F)(F)F)cn2)cc1)n1cc([N+](=O)[O-])cn1 461714593 XXSPROCNVRXVOO-UHFFFAOYSA-N 434.378 4.323 5 20 IIBD Cc1cccnc1-c1nnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1C[C@@H]1CCCCO1 461840499 VARDXJGKMJPGPK-NRFANRHFSA-N 448.527 4.295 5 20 IIBD O=C(c1ccn(-c2ccc(F)cc2F)n1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 463584777 ZGDYSMDFXPNVFP-UHFFFAOYSA-N 440.328 4.263 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2C)ccc1C 464717098 XOVPAJDRKQOTAP-MRXNPFEDSA-N 445.541 4.281 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)C[C@@H]1CCN(Cc2ccccc2)C1 464834834 HKLBITPADJTFRP-WMZOPIPTSA-N 430.936 4.029 5 20 IIBD COc1cc(CNC[C@@]2(C)CCO[C@@H]2C2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 466454187 KSXDNUPXUVXHOI-DNQXCXABSA-N 426.513 4.477 5 20 IIBD C[C@H](NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])c1nnc2n1CCC2 466804583 VTWMYOLCSAYYMZ-LBPRGKRZSA-N 443.916 4.428 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CCC(n2ccc(C(F)(F)F)n2)CC1 467222178 HTYPGFRJAYBECO-UHFFFAOYSA-N 431.802 4.010 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1nc(-c2ccc(C)cc2C)cs1 468873302 FZWWOSFETULDML-OAHLLOKOSA-N 428.518 4.206 5 20 IIBD Cc1ccc(F)cc1-c1nnc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)s1 469886004 XRVBBLITFTVFFB-UHFFFAOYSA-N 438.444 4.214 5 20 IIBD COC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccc(Cl)cc1 470498551 SBBXBRIMQBDHHL-MRXNPFEDSA-N 427.682 4.057 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@H]1c1cccc(C(F)(F)F)c1 470602005 NHBGGLUIDVIRFD-LIRRHRJNSA-N 449.429 4.486 5 20 IIBD C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCCn2cc([N+](=O)[O-])cn2)nnc1-c1ccco1 470842246 RXXCYKWOITZXCH-AESZEHBQSA-N 428.518 4.432 5 20 IIBD Cc1ccc(SC[C@@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 472253034 YWJXQDISPXQSDT-DYESRHJHSA-N 441.553 4.113 5 20 IIBD CCc1[nH]nc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c1-c1ccc2c(c1)OCO2 472607446 NGVWKDCDZJBFHR-UHFFFAOYSA-N 437.456 4.107 5 20 IIBD CC(C)[C@@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ncc[nH]1 473280463 BQOXGMOTTOETBA-QGZVFWFLSA-N 439.438 4.067 5 20 IIBD CSc1ccc(NC(=O)Cn2cc(Nc3nc4ccccc4cc3[N+](=O)[O-])cn2)cc1 473513086 NCWPWJVGMLZNTJ-UHFFFAOYSA-N 434.481 4.444 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@]4(CCCN(Cc5ccccc5)C4)C3)n2)c1 475734294 XMKVMGYIWBUNMG-DEOSSOPVSA-N 433.512 4.133 5 20 IIBD COc1cc(C(=O)N(Cc2cccc(Br)c2)CC2CC2)cc([N+](=O)[O-])c1OC 475886175 ZBWWXQRVHROUBG-UHFFFAOYSA-N 449.301 4.427 5 20 IIBD O=C(N[C@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccccc1[N+](=O)[O-] 475891635 ILOIQRJLIOLGOB-GOSISDBHSA-N 426.270 4.466 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@@H]1CCCC[C@H]1Cc1ccccc1 476378983 IZXVZQLHXPDDEP-AZUAARDMSA-N 437.496 4.201 5 20 IIBD O=C(Nc1cc(-c2ccc(OC(F)F)cc2)no1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 478542255 YIXYGBFWCMLNLJ-UHFFFAOYSA-N 441.350 4.289 5 20 IIBD COc1ccc2[nH]cc(C3CCN(C(=O)c4ccn(-c5ccccc5[N+](=O)[O-])n4)CC3)c2c1 483648194 XOCKJDLPIWXLBW-UHFFFAOYSA-N 445.479 4.290 5 20 IIBD CCN(Cc1cnn(C)c1)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 483671651 NKJWFYWJKVJGQP-UHFFFAOYSA-N 427.892 4.256 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NCc1nc(-c2ccc(OC(F)F)c(OC)c2)no1 486054686 QJINHQJMEKNKAU-UHFFFAOYSA-N 436.371 4.266 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(N3CCC[C@@H](c4nc(-c5ccc(F)cc5)no4)C3)n2)cc1 486966771 KNUBXWBEIJNBBV-OAHLLOKOSA-N 436.403 4.218 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]1c1cccc2c1OCCO2 488076321 QNWWVSFMOJDXKL-KRWDZBQOSA-N 431.876 4.109 5 20 IIBD CCOc1cc2c(cc1OCC)CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC2 489656269 BWLGJOACELRSFD-UHFFFAOYSA-N 427.501 4.088 5 20 IIBD COCCc1ccc(OCCCC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 498140834 SDJWOSKOXHWOGO-JOCHJYFZSA-N 430.526 4.217 5 20 IIBD COCCN(C(=O)c1ccc(OC)c(F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 498702538 SAFVDVOFWYXOEM-UHFFFAOYSA-N 431.445 4.159 5 20 IIBD Cc1c(NC(=O)c2ccccc2)cccc1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] 499151789 OZHHAPLHUYSOAW-UHFFFAOYSA-N 439.493 4.140 5 20 IIBD COC1(CN[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)CCC1 502600809 GCBQEPBOTYPDMU-SFHVURJKSA-N 448.317 4.196 5 20 IIBD COc1ccc(CNC(=O)N2CCC(c3ccc(Br)cc3)CC2)cc1[N+](=O)[O-] 507226104 APXIFTYUDMDBDE-UHFFFAOYSA-N 448.317 4.455 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN([C@H](C)c2ccc(F)cc2F)CC1 507671711 FWDBJFMPSYZTEM-CABCVRRESA-N 443.454 4.363 5 20 IIBD CC(C)(C)N1C[C@@H](C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H](C(F)(F)F)C1 508518916 RGVBLNVNUSKEJU-ZIAGYGMSSA-N 441.372 4.139 5 20 IIBD CCN(CC)C(=O)c1ccc(CNC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1 510046686 WVDOGLCRXAMGNQ-UHFFFAOYSA-N 448.317 4.078 5 20 IIBD CC(=O)c1ccc(Nc2ccc(CN3CCN(c4ccccn4)CC3)cc2)c([N+](=O)[O-])c1 511730432 RWQLXRHCUUDRET-UHFFFAOYSA-N 431.496 4.258 5 20 IIBD CCN1CCN([C@H]2CCN(Cc3ccc(Oc4ccccc4Cl)c([N+](=O)[O-])c3)C2)CC1 513453950 BLZDQOZUBNOZIH-IBGZPJMESA-N 444.963 4.252 5 20 IIBD C[C@H](NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccc(Cl)c2ccccc12 513662118 YHHCEZJDGVWNNZ-LBPRGKRZSA-N 432.885 4.296 5 20 IIBD O=C(NC[C@H]1COc2ccccc21)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 516679412 ODCXYDUJHMIMCM-HNNXBMFYSA-N 449.429 4.122 5 20 IIBD O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 522515831 OGDMHCBNXZJOKW-MRXNPFEDSA-N 426.473 4.256 5 20 IIBD CC[C@@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 522678581 IIPFJFMFVSYMBT-MRXNPFEDSA-N 431.514 4.048 5 20 IIBD O=C(c1ccccc1)c1ccc(Sc2nnc(C3CCNCC3)n2C2CC2)c([N+](=O)[O-])c1 522736239 STBIVISLGSLXIV-UHFFFAOYSA-N 449.536 4.370 5 20 IIBD Cc1ccc(NCCCNC(=O)c2nccnc2-c2nc3ccccc3s2)c([N+](=O)[O-])c1 523514152 SOYMGFXDADIXOK-UHFFFAOYSA-N 448.508 4.202 5 20 IIBD Cc1nc(C)c(-c2csc(NC(=O)c3cc(O)nc4ccc([N+](=O)[O-])cc34)n2)s1 523578424 LSZAYOBTECLJKH-UHFFFAOYSA-N 427.467 4.298 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCc1nn(-c2ccccc2)c2c1CCC2 523958322 RKAWLCKPVMQFJZ-UHFFFAOYSA-N 440.887 4.008 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)ccc1[N+](=O)[O-] 524688358 KEBZDTUHKQDBGC-JTSKRJEESA-N 439.512 4.172 5 20 IIBD COc1cc(C(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)cc([N+](=O)[O-])c1OC 525564988 GJDUTVLTZQQSLQ-HSZRJFAPSA-N 448.475 4.456 5 20 IIBD CC(=O)NCc1ccc(-c2nc(NC(=O)c3cc(C)ccc3[N+](=O)[O-])sc2C)s1 525664733 BQLJVJQQYMHMMJ-UHFFFAOYSA-N 430.511 4.285 5 20 IIBD CN(C)c1cccc(CN[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)n1 532856023 MDFJYGYLXIVRRV-NRFANRHFSA-N 439.903 4.179 5 20 IIBD Cc1cc(S(C)(=O)=O)cc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)c1C 537150808 SUBBWMGBMLQHQS-UHFFFAOYSA-N 445.522 4.015 5 20 IIBD O=C(Cc1cccc(OCc2cccnc2)c1)NCCc1ccc(Cl)cc1[N+](=O)[O-] 539795390 QADPHPBOMLCENL-UHFFFAOYSA-N 425.872 4.124 5 20 IIBD Cc1noc(C)c1COc1ccc(CC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1 540893999 MOPMWGPYFKFGLM-UHFFFAOYSA-N 443.887 4.333 5 20 IIBD COc1ccc(NC(=O)c2ccc(I)cc2Cl)cc1[N+](=O)[O-] 541064492 HZACJSRDESDIEG-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 541786238 HLSZUVJCUSUKMU-UHFFFAOYSA-N 441.246 4.031 5 20 IIBD O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 541799583 YOCGYXARVSBIHO-UHFFFAOYSA-N 429.889 4.385 5 20 IIBD Cc1ccccc1C1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 543519723 RBMVRNOQGNCJCE-QHCPKHFHSA-N 435.524 4.222 5 20 IIBD Cc1ccc(NC(=O)c2cccc(Oc3sc(S(C)(=O)=O)cc3[N+](=O)[O-])c2)cc1 543959183 WXYUJXHKJVSWNU-UHFFFAOYSA-N 432.479 4.413 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(CCc3nc(C4CCCC4)no3)n2)c(Br)c1 545734923 BFXSTCNUGQFQBY-UHFFFAOYSA-N 448.277 4.157 5 20 IIBD COc1cc(Cc2noc([C@@H](C)Oc3ccccc3Br)n2)ccc1[N+](=O)[O-] 545788089 SQFLSENHKDFLFA-LLVKDONJSA-N 434.246 4.480 5 20 IIBD O=C1C[C@H](c2nc(CCNc3ccccc3[N+](=O)[O-])no2)CN1c1cccc2ccccc12 546376098 DTEVAHRLJJAABP-KRWDZBQOSA-N 443.463 4.306 5 20 IIBD COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1OC[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1 550206141 HCUHNHFNVMBEOW-NHYWBVRUSA-N 444.267 4.206 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H]2CC[C@H](c3ccccc3)C[C@@H]2OC)cc1[N+](=O)[O-] 557166666 SSNXZFUSYNKGRA-JQVVWYNYSA-N 444.553 4.304 5 20 IIBD Cn1ccnc1[C@@H](N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1cccc([N+](=O)[O-])c1 560544490 LEFLXVUWSONMBB-QRWLVFNGSA-N 429.883 4.079 5 20 IIBD C[C@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H](c2cccc(C(F)(F)F)c2)O1 561443208 ITNMATINDRTMPY-GTNSWQLSSA-N 434.374 4.092 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 565326947 VQURCXZMKRSJMK-UHFFFAOYSA-N 433.443 4.421 5 20 IIBD Cc1ccc(C2(c3noc(-c4cnn(-c5ccc([N+](=O)[O-])cc5)c4)n3)CCOCC2)cc1 567084437 UAKCCQMEXAYHMY-UHFFFAOYSA-N 431.452 4.235 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1c1nc(-c2cccc([N+](=O)[O-])c2)no1 571002415 FXEBROQHEIWOAZ-MRXNPFEDSA-N 428.832 4.284 5 20 IIBD COC(=O)c1ccsc1NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 590552222 FQCWFHBWBORYQU-LBPRGKRZSA-N 426.454 4.263 5 20 IIBD COC(=O)CN(C)C(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 600835058 JMOZKWJCYJRDIC-GHRIWEEISA-N 445.475 4.265 5 20 IIBD Cc1ccc(NC(=O)C(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)cc1[N+](=O)[O-] 603702543 FWAXGVCRYSQUOF-RZDLDHBLSA-N 441.487 4.255 5 20 IIBD CCN(CC)[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 608791870 OFDWLNORJLWIFJ-LJQANCHMSA-N 438.450 4.496 5 20 IIBD Cc1cc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c2[nH]c(C)c(C)c2c1 608806401 GQKJPHJKKYMTPA-QFIPXVFZSA-N 448.523 4.231 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)c([N+](=O)[O-])c1 609107965 DSHXBDJFZVLALQ-UHFFFAOYSA-N 442.931 4.360 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCC3(N4CCCC4)CCOCC3)c([N+](=O)[O-])c2)cc1 609192762 JKFDVNACQDPHFF-UHFFFAOYSA-N 438.528 4.212 5 20 IIBD CS[C@H]1CCC[C@@H](NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C1 609861140 PHUJACIMJVSYAN-PWSUYJOCSA-N 429.329 4.491 5 20 IIBD COC(=O)c1cc(NC(=O)c2occc2CN2c3ccccc3C[C@@H]2C)cc([N+](=O)[O-])c1 609884609 PDLISSVPUFLJOZ-AWEZNQCLSA-N 435.436 4.178 5 20 IIBD Cc1nc([C@@H]2CCCCN2C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)no1 609975686 QZRAJRQJORNULW-KUHUBIRLSA-N 436.472 4.222 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 609997641 VLMSXJRHWSILHB-DZGCQCFKSA-N 434.851 4.276 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](CC(F)(F)F)c1ccc(Br)cc1 612501951 KERFVNWCPAKENO-ZDUSSCGKSA-N 449.227 4.062 5 20 IIBD O=C(CCc1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1)c1ccc2c(c1)OCCCO2 612960209 ZMYOCMXLISEFOK-UHFFFAOYSA-N 448.435 4.027 5 20 IIBD COc1c(S(=O)(=O)Nc2cccc(C)c2Cl)cc(Br)c(C)c1[N+](=O)[O-] 617203408 CUGFSJDCFLHTKT-UHFFFAOYSA-N 449.710 4.437 5 20 IIBD CCOc1cc(CN2CCOC[C@@H]2c2c(C)nn(-c3ccccc3)c2C)ccc1[N+](=O)[O-] 617219566 YOKHWAYMGYXADV-JOCHJYFZSA-N 436.512 4.370 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCO[C@@H](c4ccco4)C3)n2Cc2cccs2)c1 619855070 KUKYJVKXRZGHCD-LJQANCHMSA-N 437.481 4.134 5 20 IIBD Cn1ccc2c(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4C(F)(F)F)CC3)cccc21 727399912 NLRRMEZGVPXHCW-UHFFFAOYSA-N 432.402 4.068 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NC[C@@H](O)COc3cccc(F)c3)c([N+](=O)[O-])c2)cc1 727430855 FQTXJDQLTXCXLK-LJQANCHMSA-N 439.443 4.146 5 20 IIBD O=C(COC(=O)CC1CCC(c2ccccc2)CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 731097999 GBOXNPVDTVQEQY-UHFFFAOYSA-N 440.452 4.169 5 20 IIBD O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1csc(-c2cccc(Cl)c2)n1 731507247 BOJOVMXBEGUNPD-QGZVFWFLSA-N 443.868 4.334 5 20 IIBD Cc1ccc(/C=C2\SC(=O)N(CCNC(=O)c3c(Cl)cccc3[N+](=O)[O-])C2=O)cc1 731958306 RBLBMPIXNFZIGS-WJDWOHSUSA-N 445.884 4.023 5 20 IIBD CCCc1cc(=O)oc2cc(Oc3ccc(C(=O)c4nccn4C)cc3[N+](=O)[O-])ccc12 732566335 SPTWZKDQZAVSRW-UHFFFAOYSA-N 433.420 4.411 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(F)cc1OCC(F)(F)F 733773369 AQBOWRWNVKDQLG-UHFFFAOYSA-N 428.747 4.129 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)cc1OC 736213822 XCNAUEAXDRGMDR-OAQYLSRUSA-N 448.903 4.241 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1[N+](=O)[O-] 742872203 BXDDPTMUCYEFKP-UHFFFAOYSA-N 427.457 4.484 5 20 IIBD C[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H](O)c1c(F)cccc1Cl 748392398 VWVHBBSLKRITMK-DYZYQPBXSA-N 435.864 4.363 5 20 IIBD CCCc1nc(C(=O)OCCOc2ccccc2[N+](=O)[O-])nn1-c1ccccc1Cl 748938352 FVNOJUMGCAQDDF-UHFFFAOYSA-N 430.848 4.017 5 20 IIBD CC(C)(Oc1ccc(Cl)cc1)C(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 750428908 UXVJMAYYETZQAI-UHFFFAOYSA-N 433.892 4.260 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Oc3cccc(Oc4ncccn4)c3)cc2)c(C)c1[N+](=O)[O-] 751193632 GSQMRJSIYGLEMW-UHFFFAOYSA-N 445.435 4.258 5 20 IIBD Cn1c([C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])nc2ccccc21 751271969 KVWZELHQXGROGQ-KRWDZBQOSA-N 434.905 4.051 5 20 IIBD C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 751946616 LEWPHPTVQMUDDI-GHMZBOCLSA-N 448.398 4.261 5 20 IIBD O=C(COC(=O)c1c(F)ccc([N+](=O)[O-])c1F)N[C@@H](Cc1ccccc1)c1ccccc1 752560182 VGUDNWZMMPIOKJ-SFHVURJKSA-N 440.402 4.130 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)cc1[N+](=O)[O-] 753081649 SWVBWHYKJLYGQM-MHZLTWQESA-N 444.962 4.405 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]1C[C@H](O)c1cccs1 754396869 GGMMDUWGJYADKC-NHYWBVRUSA-N 425.304 4.147 5 20 IIBD O=C(N[C@H]1CCOc2c(Cl)cccc21)c1cc(F)cc([N+](=O)[O-])c1Br 754636883 RQMHZSJEQPUKAT-LBPRGKRZSA-N 429.629 4.403 5 20 IIBD CCOc1cc(COC(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)ccc1[N+](=O)[O-] 755528458 FXOCKJAJSYMTIV-UHFFFAOYSA-N 433.482 4.067 5 20 IIBD COc1ccc(C(=O)C2CCN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)CC2)cc1 756964837 GNDDSBJUROQHAI-UHFFFAOYSA-N 431.876 4.061 5 20 IIBD Cc1cc(C(=O)O[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)ccc1NC(=O)CC(C)C 759926208 AOXWHZDALQEQSC-OALUTQOASA-N 428.489 4.425 5 20 IIBD Cc1cc(C(=O)O[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)ccc1NC(=O)CC(C)C 759926211 AOXWHZDALQEQSC-RBUKOAKNSA-N 428.489 4.425 5 20 IIBD C[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Br)cc2)no1 760828567 KDJUPTZJMAAVDY-QNCMIEPLSA-N 443.257 4.298 5 20 IIBD O=C(OCCn1cc([N+](=O)[O-])ccc1=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 761388213 FSKGBPHPAZQFAF-UHFFFAOYSA-N 440.264 4.044 5 20 IIBD CC[C@@H](C)CS(=O)(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 767236746 LEJTTZUNMPHXTG-GFCCVEGCSA-N 426.878 4.255 5 20 IIBD CN(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)c1cccc(C(F)(F)F)c1 768921304 VVDUMAVWWLPHLH-SFHVURJKSA-N 438.406 4.285 5 20 IIBD O=C(Nc1cnc(Cl)c(Br)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 769990708 SSNZGQUQVWRKHF-UHFFFAOYSA-N 425.670 4.258 5 20 IIBD O=C(OCc1cccc(C(=O)N2CCCCC2)c1)c1cc(Br)cc([N+](=O)[O-])c1 770155676 BREIRYMNTLMBHN-UHFFFAOYSA-N 447.285 4.340 5 20 IIBD C[C@@H](Cc1noc(-c2ccc([N+](=O)[O-])cc2Br)n1)N(C)C(=O)OC(C)(C)C 771124528 JECTYSWZWXNQRR-JTQLQIEISA-N 441.282 4.205 5 20 IIBD Cc1c(C(=O)N2CCc3sc(Br)cc3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 772221916 OBHIAMVGRMXATP-UHFFFAOYSA-N 440.275 4.142 5 20 IIBD C[C@H](OC(=O)[C@@H](C)c1cn(C)c2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 772837566 BEUGEHUXYNLOSB-STQMWFEESA-N 429.860 4.414 5 20 IIBD Cc1cccc([C@H](O)CN(Cc2ccccc2)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 772896459 AMHUKRKQYLATMX-HSZRJFAPSA-N 440.521 4.047 5 20 IIBD Cc1occc1-c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)n(CCO)n1 775483708 QNDQOODUQAMHQN-UHFFFAOYSA-N 430.486 4.105 5 20 IIBD COc1ccc(-c2cc(C(=O)O[C@@H](c3cccnc3)c3ccccc3[N+](=O)[O-])n[nH]2)cc1 776136734 XSLCVPCQJBTWAI-QFIPXVFZSA-N 430.420 4.335 5 20 IIBD Cc1ccc(SC2CCCC2)c(C(=O)NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c1 776505911 GBIAXBAUFMGBQL-UHFFFAOYSA-N 434.539 4.198 5 20 IIBD O=C(O[C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 781268607 OZGNZKNYIIZQFS-HSZRJFAPSA-N 426.472 4.029 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCC[C@H](c2nc3c(s2)CCCC3)C1 781707416 WBVBGQSPAOLJPI-HNNXBMFYSA-N 444.513 4.177 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CCOc2ccc(C(F)(F)F)cc21 782123854 KCEWMBHKRQLTRR-UHFFFAOYSA-N 431.164 4.415 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(Oc2ccc3c4c(c(=O)oc3c2)CCCCC4)s1 782943578 VTOPPCIKAHZIDM-UHFFFAOYSA-N 435.479 4.227 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N(CCc1ccccc1)Cc1ccccc1 783305460 JARNFYDJNDYSCT-UHFFFAOYSA-N 437.883 4.458 5 20 IIBD Cc1ccc(Br)cc1CNC(=O)c1cc([N+](=O)[O-])ccc1Br 784158939 TWIWLJQSTLDBGV-UHFFFAOYSA-N 428.080 4.358 5 20 IIBD O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCCN(c2ncccc2F)CC1 784220050 UXPUASJIWZCITQ-UHFFFAOYSA-N 449.486 4.094 5 20 IIBD C[C@@H]1[C@@H](C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)CCN1C(=O)OC(C)(C)C 786637814 LOROCWZLYRRSET-KGLIPLIRSA-N 446.529 4.327 5 20 IIBD Cc1ccc(CN(C)C(=O)Nc2ccc([N+](=O)[O-])c(I)c2)s1 787809311 OCWCNLPVHYMAQH-UHFFFAOYSA-N 431.255 4.233 5 20 IIBD CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c1C 792896219 FEXDPMCBWXGBMU-LBPRGKRZSA-N 448.317 4.134 5 20 IIBD O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N(Cc2ccsc2)c2cccnc2)c1 795814013 AUKYYRFRSSXDHI-UHFFFAOYSA-N 427.866 4.239 5 20 IIBD CC(C)(C)OC(=O)NCc1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 795985134 JOYGZOMPLJUSPS-UHFFFAOYSA-N 442.877 4.041 5 20 IIBD CC(C)(C(=O)OCC(=O)N[C@@H](c1ccccc1)c1cccs1)c1ccccc1[N+](=O)[O-] 796444316 GHSJWWLUJIGGLF-NRFANRHFSA-N 438.505 4.383 5 20 IIBD CC(C)(C)OC(=O)N1CCC(COC(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 800157629 PPSZOTMIBNGOCD-UHFFFAOYSA-N 443.294 4.161 5 20 IIBD CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 800214753 RFFNREPHCKXNPD-UHFFFAOYSA-N 444.702 4.334 5 20 IIBD CC(C)[C@H](NC(=O)COC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 802652823 KKAWSQJWMJTMCQ-VLIAUNLRSA-N 434.489 4.271 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)C(=O)NCc1ccccn1 805953812 AEJDKMRNHYNKGK-HNNXBMFYSA-N 443.525 4.134 5 20 IIBD COc1cc(COC(=O)c2nc3ccccc3cc2Br)c([N+](=O)[O-])cc1F 808704172 KNGMUCWQZWXFLP-UHFFFAOYSA-N 435.205 4.410 5 20 IIBD CCOc1ccc([C@H](O)C2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OCC)CC2)cc1 812977020 RSMFGHFPMCPVSG-QFIPXVFZSA-N 443.500 4.370 5 20 IIBD COCc1ncc(COC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)s1 814000560 BEHYXYVXQXQLPC-ZDUSSCGKSA-N 428.470 4.123 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC2)C1 814341076 SZVOUSWXNRZTOL-UHFFFAOYSA-N 429.473 4.204 5 20 IIBD C[C@H](N[C@@H](C)c1ccc(-n2cccn2)c(F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 815155875 ZBEGULBOWNLBOI-STQMWFEESA-N 431.855 4.251 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)CSc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1 852584116 IGBFIVRKKNAYMY-UONOGXRCSA-N 428.466 4.242 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)O[C@H](C(=O)NC2CCCCCC2)C(C)C)cc1OC 878103847 RRUNXMWJXWZXER-FQEVSTJZSA-N 436.505 4.023 5 20 IIBD COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)c3ccccc32)cc([N+](=O)[O-])c1O 915850734 UFRBMFZUBJJRSW-ODLFYWEKSA-N 430.416 4.345 5 20 IIBD O=C(Nc1cccc(OS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1)c1ccccc1 917907903 YJDITUCRUXEFBO-UHFFFAOYSA-N 432.841 4.268 5 20 IIBD CCOc1ccc(C(=O)OCc2ccc(OC)c(OC)c2Br)cc1[N+](=O)[O-] 917960725 KHUZUIWQXMKRKT-UHFFFAOYSA-N 440.246 4.130 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Oc2ccc(NC(=O)c3ccccc3)cc2)cc1C 918740495 URWYLJQHIHZIPK-UHFFFAOYSA-N 426.450 4.232 5 20 IIBD CC(C)(C)n1ncc(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1C(F)(F)F 919199952 BOXVEYZNZQRIRC-UHFFFAOYSA-N 448.785 4.014 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCO[C@@H](c2ccc(Cl)s2)C1 1318824899 MWOAMVGXAVOAHT-GFCCVEGCSA-N 431.695 4.286 5 20 IIBD O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1ccc([N+](=O)[O-])cc1Br 1324141558 ZAPMEOFELRNUGK-UHFFFAOYSA-N 429.057 4.422 5 20 IIBD CC(C)[C@]1(CO)CCN([C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C1 1329943871 BPZBYMQWRPVOGQ-IFMALSPDSA-N 431.920 4.268 5 20 IIBD O=C(O)c1ccc(-c2ccc(/C=C3\CCn4c3nc3ccc([N+](=O)[O-])cc3c4=O)o2)cc1 1338653332 JXCCQSJLMABTEB-RVDMUPIBSA-N 429.388 4.207 5 20 IIBD CCc1ccc(NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1S(N)(=O)=O 1346911991 KZWPFGYQLLQOLQ-UHFFFAOYSA-N 435.889 4.330 5 20 IIBD O=[N+]([O-])c1ccccc1CN(c1nnc(C2CCCCC2)n1C[C@@H]1CCOC1)C1CC1 1348720681 MINIGJDXQYGSMW-KRWDZBQOSA-N 425.533 4.440 5 20 IIBD C/C(=C\c1ccc(C)o1)C(=O)NC1(c2ccc(NC(=O)c3nc[nH]c3[N+](=O)[O-])cc2)CCC1 1788612746 ZBQFDRZORLNLTK-WYMLVPIESA-N 449.467 4.071 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C2(NC(=O)CC3CC3)CCC2)cc1 1790791453 ALVUEDKPLRLDKD-UHFFFAOYSA-N 436.512 4.209 5 20 IIBD CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])o1)C2)c1ccccc1 1795453682 PRGBXHGEYJQTRZ-DZDFZWJYSA-N 437.496 4.033 5 20 IIBD Cc1c(C(=O)N2CCC3(CCCN(C(=O)CC(C)C)C3)CC2)cc(Cl)cc1[N+](=O)[O-] 1809052547 ZFXCBPQSNOTTRT-UHFFFAOYSA-N 435.952 4.448 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1824342253 FUNTVZYUEMMQPS-JFFDJDQUSA-N 431.533 4.257 5 20 IIBD Cc1ccsc1C(=O)N1CCCC12CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1C)C2 1842375181 VRNDZEKBAONMGB-UHFFFAOYSA-N 433.917 4.057 5 20 IIBD CC(C)[C@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 1847615427 CPZDMOSIRAOSMR-LSQMVHIFSA-N 449.551 4.169 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@H](OC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 11466337 ONJIUYRDERWAJK-HSZRJFAPSA-N 434.448 4.378 5 20 IIBD Cc1ccc(Cl)cc1N1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 14899049 BTOSTMMUNBBOCG-UHFFFAOYSA-N 445.950 4.465 5 20 IIBD Cc1cc(Br)ccc1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 15389319 WUDVHJXYECJWSF-UHFFFAOYSA-N 448.302 4.198 5 20 IIBD CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)c1 26587754 IVDHEYSXQKELJZ-CYBMUJFWSA-N 440.905 4.195 5 20 IIBD Cc1cc(C)n(-c2ccc(CNC(=O)NCc3ccccc3[N+](=O)[O-])c(C(F)(F)F)c2)n1 63324624 PGOPYYYFOSPJMN-UHFFFAOYSA-N 447.417 4.416 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1 64784518 NTTNDXBMDDXXML-NSHDSACASA-N 446.872 4.363 5 20 IIBD Cc1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c(Cl)c1 104588718 HGHNXBUOUBZGGG-UHFFFAOYSA-N 431.876 4.342 5 20 IIBD Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1[N+](=O)[O-] 215911986 GWLZEBICQXULLJ-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD Cc1nccn1-c1ccc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1F 409796807 ZYEQIBPWQVGKHH-UHFFFAOYSA-N 435.362 4.151 5 20 IIBD Cc1cc(OCC(=O)NCc2nc3c(s2)C[C@H](c2ccccc2)CC3)ccc1[N+](=O)[O-] 430822886 LXEODDLDKRWGDB-QGZVFWFLSA-N 437.521 4.327 5 20 IIBD O=C(NCCOc1ccccc1C(F)(F)F)c1ccc(Br)cc1[N+](=O)[O-] 430907711 FOZUJRSJHAZDNX-UHFFFAOYSA-N 433.180 4.185 5 20 IIBD CCCOc1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])c(OCC)c3)CC2)cc1 432355756 GDUSXGYTBIALNS-UHFFFAOYSA-N 428.489 4.136 5 20 IIBD CCOCCCn1c(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)nc2ccccc21 432685555 OOPHDCPNGNFKOO-UHFFFAOYSA-N 447.289 4.386 5 20 IIBD CN(C)[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1ccsc1 436092835 MHAMHNMRYRCOID-GOSISDBHSA-N 427.476 4.054 5 20 IIBD CS(=O)(=O)C1(c2noc(-c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)n2)CC1 438834655 ARONTSPTFWHKFZ-UHFFFAOYSA-N 435.845 4.124 5 20 IIBD COc1ccc(OC)c(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 439220803 GFMILHGQGKBHQP-UHFFFAOYSA-N 428.466 4.008 5 20 IIBD Cc1cccc(OC[C@@H](O)CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])c1 442681042 RIDUBFSUSDLKMD-KRWDZBQOSA-N 438.505 4.224 5 20 IIBD COc1cc([C@H](C)NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)ccc1OCCC(C)C 443693687 PVYMDVALBHVZNF-INIZCTEOSA-N 436.530 4.209 5 20 IIBD O=C(c1cc(NCc2ccc(COC3CCOCC3)cc2)ccc1[N+](=O)[O-])N1CCCC1 443889841 SJGWAGKIGCSYOI-UHFFFAOYSA-N 439.512 4.139 5 20 IIBD C[C@H](NC(=O)Cc1noc(-c2ccc([N+](=O)[O-])s2)n1)c1ccc(Cl)cc1Cl 445747658 BPRUHLWHOIXGQH-QMMMGPOBSA-N 427.269 4.433 5 20 IIBD O=C(c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)N1CCc2ccc([N+](=O)[O-])cc2C1 446428342 SEXXCBYEKUEHMX-UHFFFAOYSA-N 449.467 4.242 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 446489357 XWZABCGRARJVTQ-CQSZACIVSA-N 433.306 4.314 5 20 IIBD CS(=O)(=O)c1ccc(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)cc1C(F)(F)F 447686805 GRRVPHKMTQSAFB-UHFFFAOYSA-N 440.346 4.231 5 20 IIBD CCCOc1ccc([C@H](C)Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])cc1OC 447816517 JOGGWRBTXYARJR-KRWDZBQOSA-N 429.517 4.398 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1CCC(F)(F)[C@H](CO)C1 462673470 HRBVAYDWMBKNOM-ZDUSSCGKSA-N 442.871 4.489 5 20 IIBD Cc1oncc1C(=O)Nc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 463188179 GJAPFPLGEQEACO-UHFFFAOYSA-N 434.330 4.415 5 20 IIBD CCc1c(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cnn1-c1ccc(F)cc1 464664138 OEORJVXIAHWULX-UHFFFAOYSA-N 438.459 4.166 5 20 IIBD CO[C@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C(C)(C)C 465205993 SWNXWIJEQRYVSW-QGZVFWFLSA-N 431.455 4.007 5 20 IIBD CN(C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])C1(C(N)=O)CCCC1 467978413 IIGCZTCYPXPRQK-UHFFFAOYSA-N 433.917 4.270 5 20 IIBD COc1ccccc1-c1noc(C2CCN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)CC2)n1 470150430 CDWWCNGBJQNYGT-UHFFFAOYSA-N 441.419 4.204 5 20 IIBD CCOc1cc(NC(=O)NC2CCN(C3CCCCC3)CC2)c([N+](=O)[O-])cc1OCC 473638634 YMUSCSVPYFQIKF-UHFFFAOYSA-N 434.537 4.311 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cc1 475638588 KHWCFAZVTOYVQF-INIZCTEOSA-N 448.545 4.125 5 20 IIBD Cc1ccccc1-c1nc(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)no1 476354598 KZJMPMCUDKKPLG-UHFFFAOYSA-N 446.413 4.248 5 20 IIBD CC(C)(C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1ccc([N+](=O)[O-])cc1F 476355452 YGGWEGBXLHDTFX-UHFFFAOYSA-N 425.460 4.339 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OCc3ccccn3)c(F)c2)c(Cl)c1 476417735 YCRWUDMUHMSIKE-UHFFFAOYSA-N 437.836 4.162 5 20 IIBD CC(C)C[C@@]1(CO)CCCN1C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 476467842 OZYFDVRCJAQMAC-UZUQRXQVSA-N 426.517 4.176 5 20 IIBD CC(C)c1[nH]nc(C(=O)N2CCCC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)c1[N+](=O)[O-] 476834940 ZGNTVNWVDHIPCN-MRXNPFEDSA-N 426.452 4.338 5 20 IIBD Cc1c(NC(=O)CCN2CC[C@]3(CCCN(Cc4ccccc4)C3)C2)cccc1[N+](=O)[O-] 477045909 FZZZDVWSZDGICX-RUZDIDTESA-N 436.556 4.220 5 20 IIBD C[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(Br)cn1 477765867 NRQIGKLCMZNPEJ-JTQLQIEISA-N 433.287 4.367 5 20 IIBD Cc1cc(Br)cc(C)c1CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 478325593 HXBHYJLAKNSAPY-UHFFFAOYSA-N 429.274 4.090 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 479147403 JQHPQKDLYQWFQI-UHFFFAOYSA-N 428.854 4.015 5 20 IIBD CCCCc1ccc([C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)c2cccs2)cc1 479419977 ITBKVECPMWICTL-QFIPXVFZSA-N 425.510 4.066 5 20 IIBD CN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 480434560 HRZFLMJZUGQACS-AZUAARDMSA-N 434.279 4.042 5 20 IIBD O=C(Nc1nnc(-c2cccc(Cl)c2)s1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 481560877 XVLHJJSYKNVCHG-UHFFFAOYSA-N 444.904 4.121 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)cc1C 481843714 JFVOUGUKALMORP-UHFFFAOYSA-N 442.881 4.323 5 20 IIBD C[C@@H]1CCSCCN1C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 482952707 ZWZXCQAPQOZLFL-QGZVFWFLSA-N 436.537 4.344 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCCN1CCN(c2ccccc2)CC1 483248318 VFLHGGIAYPZINW-UHFFFAOYSA-N 442.585 4.039 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CSc1nnc(N2CCC(C)CC2)n1Cc1ccco1 485376429 PBGRCGWLHMUNTL-UHFFFAOYSA-N 443.529 4.365 5 20 IIBD C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] 485827671 WOBKHIFNNIPDLV-JRGCBEDISA-N 435.524 4.337 5 20 IIBD COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(Br)cc1Br 486117621 QHENKFUQDKMQCP-UHFFFAOYSA-N 430.052 4.381 5 20 IIBD O=C(Nc1ccccc1)Nc1cccc(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 486651460 AXZPYVFMOPKNOA-UHFFFAOYSA-N 449.471 4.304 5 20 IIBD CSCc1nc2ccccc2n1CC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 486733186 RSVKUKODOBLEEJ-UHFFFAOYSA-N 438.431 4.143 5 20 IIBD C[C@@H](NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1nnnn1-c1ccccc1 487716945 GFEHGMHSPBFWHO-OAHLLOKOSA-N 446.492 4.213 5 20 IIBD CC(C)(NC(=O)NC1CCN(c2nc3ccccc3s2)CC1)c1ccccc1[N+](=O)[O-] 488542583 IDCMWEVUUDPZGN-UHFFFAOYSA-N 439.541 4.408 5 20 IIBD CCOc1ccc(-n2c(SCCn3ccc([N+](=O)[O-])n3)nnc2-c2cccs2)cc1 489689190 SPSFKEQLISDWEL-UHFFFAOYSA-N 442.526 4.292 5 20 IIBD O=C(Nc1cccc(C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)c1)c1ccc(F)cc1 490401886 UAYYHPCFICGFKO-UHFFFAOYSA-N 446.398 4.024 5 20 IIBD CC(C)CCSc1ccc(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1[N+](=O)[O-] 493670745 VHNDNTXIWQOSKC-UHFFFAOYSA-N 428.514 4.176 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1 494685822 OYEFANFVZLZWLK-UHFFFAOYSA-N 442.449 4.052 5 20 IIBD O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1ccc([N+](=O)[O-])c2cccnc12 497765289 CQQZRFHGSAOCIU-UHFFFAOYSA-N 445.504 4.410 5 20 IIBD Cc1c([C@H](C)NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 497830891 FEWKVXVMUCCALN-NSHDSACASA-N 447.264 4.482 5 20 IIBD COc1cc(C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)c([N+](=O)[O-])cc1OC 505336068 SFTGATSJHODUCR-UHFFFAOYSA-N 434.754 4.459 5 20 IIBD COc1ccc([C@@H]2CCCN2C(=O)COc2cc(C)c([N+](=O)[O-])cc2Cl)cc1OC 506538941 OPGUGOCAXAQJEM-INIZCTEOSA-N 434.876 4.316 5 20 IIBD C[C@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccncc2)cc1 506813557 FQAIRQRGDSMTGL-INIZCTEOSA-N 433.468 4.145 5 20 IIBD COc1ccc(CNc2ccc(Cn3ccnc3)cn2)cc1OCc1ccc([N+](=O)[O-])cc1 508451786 LZHFHPSXKHMWMK-UHFFFAOYSA-N 445.479 4.434 5 20 IIBD Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 509572823 RNAZLZNKNWZFKK-MRXNPFEDSA-N 427.457 4.014 5 20 IIBD C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@@H](n4ncc5ccccc54)C3)cc2[N+](=O)[O-])C1 511738272 FTMQFPDXKMMNSH-YLJYHZDGSA-N 433.512 4.268 5 20 IIBD O=C(Nc1nnc(-c2ccccc2Cl)s1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 516238456 GGFWRKOIUCUXLZ-UHFFFAOYSA-N 426.845 4.205 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCCc2ccc(F)cc2F)cc1[N+](=O)[O-])c1ccccn1 516593242 FAUPKMBGEUYJEB-AWEZNQCLSA-N 426.423 4.414 5 20 IIBD O=C(Nc1ccccc1CS(=O)(=O)c1ccccc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 520828706 SLUZXCNUZAQHQE-UHFFFAOYSA-N 435.461 4.302 5 20 IIBD Cc1cccc(Oc2ncccc2NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c1C 520972378 PNZMIOOPNITLMS-UHFFFAOYSA-N 430.424 4.232 5 20 IIBD CCCN(C(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)[C@@H]1CCCN(Cc2ccccc2)C1 522669901 QPFVDUKVARDJKX-HXUWFJFHSA-N 448.523 4.365 5 20 IIBD CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 523222985 DXOPLOVWYNZSBX-HXUWFJFHSA-N 429.904 4.210 5 20 IIBD O=C(NC[C@H](CO)Cc1ccc(F)cc1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 524223414 QKDKWLHUFRWCMV-QGZVFWFLSA-N 439.443 4.499 5 20 IIBD C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1cccc(NC(=O)Cc2ccccc2F)c1 525140884 URMPRMJFNDBHIG-MRXNPFEDSA-N 435.455 4.335 5 20 IIBD COc1cc(C(=O)N[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)cc([N+](=O)[O-])c1OC 525564989 GJDUTVLTZQQSLQ-QHCPKHFHSA-N 448.475 4.456 5 20 IIBD O=C(Nc1cccc(-n2cccc2)c1)c1ccc([N+](=O)[O-])cc1I 527183568 DBYGSYYIICVGAZ-UHFFFAOYSA-N 433.205 4.242 5 20 IIBD C[C@H](c1cc(F)ccc1F)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br 532473906 ZRLUBBYCCZGTQP-SNVBAGLBSA-N 428.233 4.267 5 20 IIBD C[C@H](NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 535963843 OJNVJMCXJRFENG-IFHZELBCSA-N 446.472 4.321 5 20 IIBD COC(=O)CCSc1cccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 535975482 XXKTZSJYIUTFNZ-UHFFFAOYSA-N 429.498 4.447 5 20 IIBD CCOC(=O)c1ccnc(NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] 536500823 CBAHLYVNHZAOGY-SUMWQHHRSA-N 436.871 4.064 5 20 IIBD C[C@@H]([C@@H](C)N(C)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)S(C)(=O)=O 538729054 NHJJSMUSVVJXTA-KGLIPLIRSA-N 426.922 4.294 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@@H](CO)c3cccc(F)c3)cc2[N+](=O)[O-])n1 538872897 VXMCAAVJHIGCEC-HNNXBMFYSA-N 433.486 4.113 5 20 IIBD O=C(Nc1nc(-c2cccc(Cl)c2)cs1)c1cccc([N+](=O)[O-])c1N1CCOCC1 539599605 VMSHTPLOHZSXIE-UHFFFAOYSA-N 444.900 4.461 5 20 IIBD CN(CCC1CCN(c2ccncc2)CC1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 539973709 JUABXKVEMGLZAS-UHFFFAOYSA-N 436.434 4.387 5 20 IIBD CCN(C(=O)N=c1cc[nH]cc1[N+](=O)[O-])[C@H]1CCSc2ccc(Br)cc21 542839393 GSBPDIRMKAKWRD-AWEZNQCLSA-N 437.319 4.265 5 20 IIBD Cc1cc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)ccc1-n1nnnc1C(C)C 544140108 NEZMXBAWEUTSNO-UHFFFAOYSA-N 445.277 4.017 5 20 IIBD CN1CCN(C)[C@@H](c2noc(-c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)n2)C1 545080875 BPRUZUWOXLCSEC-QGZVFWFLSA-N 429.864 4.009 5 20 IIBD O=c1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cn1CCOc1ccccc1Cl 546259136 RRJRVUBLXNDLRN-UHFFFAOYSA-N 438.827 4.206 5 20 IIBD CCN(CC)[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1cccc(OC)c1 546579254 LDUNFHDQARFKHN-OAQYLSRUSA-N 431.508 4.219 5 20 IIBD COc1ccc(CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC2CCC2)c(OC)c1 549163014 VULPLUOPTNHJHS-UHFFFAOYSA-N 428.485 4.281 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H]3CCCCN3c3ccccc32)c(C(F)(F)F)c1 549556769 PHLVPZYAZIDXCN-CQSZACIVSA-N 441.431 4.181 5 20 IIBD Cc1cc(OC(C)C)ccc1NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 551492837 GIPHQTIXNIRSHG-UHFFFAOYSA-N 436.262 4.030 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCc3cc(C)nc(C)n3)c([N+](=O)[O-])c2)c(C)c1 553252821 DCKAZPCNAJYHDY-UHFFFAOYSA-N 441.513 4.031 5 20 IIBD Cc1ccn(-c2ccc(NS(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])cc2)n1 556335210 XWZCZMQGTPMMIE-UHFFFAOYSA-N 427.269 4.197 5 20 IIBD COCC[C@@H](NC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 556404268 LDAQYXWDFAGNCV-MRXNPFEDSA-N 442.299 4.487 5 20 IIBD CC(=O)N(c1ccc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@H]1C[C@H]1C 580944527 UKQZQBDXDBPSIO-ACJLOTCBSA-N 431.876 4.417 5 20 IIBD COC(=O)c1c(OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)ccn1Cc1ccccc1 585728492 QTEVDTDBCYYCEG-UHFFFAOYSA-N 433.420 4.465 5 20 IIBD CC(C)(C)Oc1ccc(CNC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 585757221 ZZQSGNLJFNUUCM-UHFFFAOYSA-N 427.501 4.325 5 20 IIBD CC[C@H](C)Oc1ccc(-c2noc(-c3ccc(N4C(=O)CCC4=O)c([N+](=O)[O-])c3)n2)cc1 589128236 QSAPARCQUUWRIP-ZDUSSCGKSA-N 436.424 4.143 5 20 IIBD C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 589323662 PEXVVKYNUWOXNJ-INIZCTEOSA-N 438.484 4.036 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Nc2ccccc2)cc1C(=O)O 603778851 QCKVONPHYAGQDY-UHFFFAOYSA-N 427.438 4.146 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2cccc(O)c2)c([N+](=O)[O-])c1 603932420 HDYGHHYHEXIJNR-UHFFFAOYSA-N 427.482 4.128 5 20 IIBD CCc1cc(N(C)Cc2ccc(C(=O)NC3CC3)cc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 603938410 BDPSHPZSJQHPDR-UHFFFAOYSA-N 431.496 4.143 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)CCCC2)c1 603966398 QCOJDPPMIYHSMA-QGZVFWFLSA-N 430.526 4.176 5 20 IIBD Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 603976982 OGGIIFLDZZZWGB-ZIAGYGMSSA-N 439.468 4.002 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 603983722 QNEAKBCVRLZHIT-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD Cc1ccc(Sc2ccc(CN[C@H]3CCCc4c3cnn4CCO)cc2[N+](=O)[O-])cc1 608782009 CDNCHBKVKKQBEZ-FQEVSTJZSA-N 438.553 4.410 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(Oc3ccc(S(C)(=O)=O)cc3)cc2)cc1[N+](=O)[O-] 608810138 WHCCUUUXBWMNPK-UHFFFAOYSA-N 426.450 4.351 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N(CCc1ccccn1)Cc1ccc(F)cc1 608887049 MCSDJUONUVDFBC-UHFFFAOYSA-N 449.891 4.216 5 20 IIBD CC(C)(Cc1ccc(Br)cc1)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 608949396 DLMXDISAJMSMFU-UHFFFAOYSA-N 443.301 4.294 5 20 IIBD CCSc1ccc(Cl)cc1NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 609183436 WBTIMYVRQFGMOU-UHFFFAOYSA-N 425.919 4.190 5 20 IIBD CCN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@H](c1cccnc1)c1ccc(F)c(F)c1 609580050 IWJIPUYXJKKJPD-NRFANRHFSA-N 441.390 4.248 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N[C@@H]1CCN(Cc2ccccc2)C1=O 609781584 QMZKXZNPCGVYAF-JOCHJYFZSA-N 446.463 4.310 5 20 IIBD Cc1cc(Br)ccc1NC(=O)COc1ccc([N+](=O)[O-])cc1Br 609961840 MIHSOIFZFTYJNF-UHFFFAOYSA-N 444.079 4.446 5 20 IIBD CCC(CC)[C@@H](NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 610145347 UPFHRYNMZLSGTG-JOCHJYFZSA-N 438.528 4.240 5 20 IIBD COc1ccc(Cl)cc1C[C@H]1CCCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 610162667 QLZGOYWZYPNRMY-MRXNPFEDSA-N 438.933 4.041 5 20 IIBD CCCC[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 610226558 NDXQTMDCVOCPKT-JOCHJYFZSA-N 438.528 4.051 5 20 IIBD C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CC(c2nc3ccccc3[nH]2)C1 610844758 UVRDHQJFAPFTAL-CYBMUJFWSA-N 448.508 4.021 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)ccc1[N+](=O)[O-] 725946567 AOZFKSREYKBPCA-MRXNPFEDSA-N 434.448 4.055 5 20 IIBD COc1ccccc1-c1c[nH]cc1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 726053523 GVAYGGVZRCWAFN-UHFFFAOYSA-N 429.816 4.047 5 20 IIBD Cc1csc(-c2cccc(OC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)c2)n1 726368855 VQYBJVBKGOYNNK-UHFFFAOYSA-N 425.466 4.083 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)[C@H](OC2CCCC2)c2ccccc2)cccc1[N+](=O)[O-] 727015637 BEYJSPCSXOOCSE-HRAATJIYSA-N 426.469 4.474 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@@H](OC1CCCC1)c1ccccc1 727018055 QVEKKKIBAXNBSC-VFNWGFHPSA-N 442.468 4.174 5 20 IIBD O=C(COC(=O)c1cnc(Cc2ccc(F)cc2)s1)Nc1ccc(Cl)c([N+](=O)[O-])c1 727215883 CWDAKNBXLJGANB-UHFFFAOYSA-N 449.847 4.230 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2C)cc1SC 728655163 CIYBLPZWUVQLBD-LLVKDONJSA-N 438.889 4.471 5 20 IIBD CC(=O)N[C@H](CC(=O)OCc1cc([N+](=O)[O-])ccc1OC(C)C)c1ccc(Cl)cc1 729113678 LVMKNTRQIIYPAV-LJQANCHMSA-N 434.876 4.346 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 730229566 HGOJINYXSWLDGF-KRWDZBQOSA-N 426.473 4.078 5 20 IIBD Cc1ccc(-n2nc(C(=O)OCC(=O)Nc3c(C)cccc3[N+](=O)[O-])c3c2CCCC3)cc1 731084620 IBMNWNYKTCGSEH-UHFFFAOYSA-N 448.479 4.072 5 20 IIBD O=C(COC(=O)c1cc(F)cc([N+](=O)[O-])c1)N[C@H](c1ccccc1)c1cccc(Cl)c1 731528917 QXZQDDKTQGMOSS-OAQYLSRUSA-N 442.830 4.450 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)O[C@H](c1cncc(F)c1)C1CCCCC1 731776438 ZXFQHZCFILCDAE-NRFANRHFSA-N 429.448 4.114 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N2CCC[C@@H]2COc2ccc(Cl)cc2)c([N+](=O)[O-])c1 732566442 LVKBLTHGMYCCCC-QGZVFWFLSA-N 440.887 4.261 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 735821554 MSBVALLPJFZDPL-MRXNPFEDSA-N 445.903 4.203 5 20 IIBD CN(C)CCn1ccc2ccc(NC(=O)c3ccc(Br)c([N+](=O)[O-])c3)cc21 740690017 FPDGXZGJTKDNPD-UHFFFAOYSA-N 431.290 4.126 5 20 IIBD CCCn1cc(Nc2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2[N+](=O)[O-])cn1 742419589 JMKWEHLKYQTCEQ-UHFFFAOYSA-N 429.502 4.160 5 20 IIBD O=C(CCc1ccccn1)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 745524064 JAPRICJTCUPWBF-NRFANRHFSA-N 439.855 4.499 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)c1csc(C2CC2)n1)c1cccc([N+](=O)[O-])c1 747416563 WZNKMMSMTWNTAX-INIZCTEOSA-N 429.498 4.171 5 20 IIBD COc1ccc([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c(OC)c1 748612764 CXJBWBWCQPPTEH-KRWDZBQOSA-N 429.429 4.114 5 20 IIBD Cc1c(C(=O)Nc2nc(CN3CCC(C)CC3)cs2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748833794 DDYILEBLPWNWJV-UHFFFAOYSA-N 433.490 4.061 5 20 IIBD CC(C)(C)OC(=O)NC1(c2noc(-c3ccc(Br)cc3[N+](=O)[O-])n2)CCC1 751029385 CQJYTGMBTTUCDY-UHFFFAOYSA-N 439.266 4.311 5 20 IIBD CCN([C@@H](c1cccnc1)c1ccc(F)c(C)c1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 751125995 OVMTWJTUXRHETE-HXUWFJFHSA-N 447.463 4.377 5 20 IIBD O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@@H](Oc2ccccc2Cl)C1 752374953 IGGADLPNWKKGDJ-GFCCVEGCSA-N 425.666 4.304 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1ccn(-c2ccc(F)cc2F)n1 753385960 JKBUPBCNXVTPSZ-UHFFFAOYSA-N 445.425 4.362 5 20 IIBD CC[C@H](C)c1nc([C@H](C)NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)n[nH]1 754427731 SACFDARNSQMOJQ-YUMQZZPRSA-N 430.690 4.133 5 20 IIBD CC(C)c1ccc(OCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1 754634269 AWIYZLRLFCUAPP-UHFFFAOYSA-N 425.254 4.429 5 20 IIBD COC(=O)CCSc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 756048506 VIERWRCIKLMNBE-UHFFFAOYSA-N 443.525 4.493 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(Cl)cc1 758737431 RFQHDYHYSNGBPU-QWHCGFSZSA-N 429.860 4.081 5 20 IIBD C[C@@H](OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)Nc1cc(Cl)ccc1Cl 758737529 FYRAVCMGFMCDRY-SNVBAGLBSA-N 436.251 4.496 5 20 IIBD C[C@@]1(c2ccc(Br)cc2)CC(=O)N(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1=O 761734505 TTXKFPBPXLSNNI-SFHVURJKSA-N 437.677 4.228 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCCC[C@H]1C[C@@H](O)c1ccccc1 764388391 AIJXTIFGHLBFFD-JTHBVZDNSA-N 434.496 4.289 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)CC2 765111606 UWUXMXJSJATVFY-BJLQDIEVSA-N 431.533 4.164 5 20 IIBD Cc1cccc(-c2nnc(S)n2CCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 765396503 HJUSWWOUWHCTCO-UHFFFAOYSA-N 437.525 4.032 5 20 IIBD COC(=O)c1cccc(-c2nc(COC(=O)c3ccc([N+](=O)[O-])c4cccnc34)cs2)c1 766233041 QTBVPFVXMVTHRK-UHFFFAOYSA-N 449.444 4.410 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(Cc3c(Br)cccc3[N+](=O)[O-])CC2)cc1 769482965 MFUGUGDJAXABDL-UHFFFAOYSA-N 436.262 4.309 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN3CCn4c(CCc5ccccc5)nnc4C3)o2)cc1 769487937 BPMWDNMSTUWXEQ-UHFFFAOYSA-N 429.480 4.247 5 20 IIBD CN(c1ccccc1)c1ccc(CN2CCC[C@H]2C[C@H](O)c2cnn(C)c2)cc1[N+](=O)[O-] 770392197 RTZPXONJCNLXLU-URXFXBBRSA-N 435.528 4.184 5 20 IIBD COc1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1-n1nnnc1C1CC1 770601041 BFGWYIWOBMRXAP-UHFFFAOYSA-N 432.440 4.329 5 20 IIBD CSc1nc(C)c(CCC(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])c(C)n1 776139376 UIZQGYQBFBNRBX-NRFANRHFSA-N 438.509 4.384 5 20 IIBD Cc1c(C(=O)N(Cc2ccccn2)c2ccc(N(C)C)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 776389822 GUQXLBTZMMLOKA-UHFFFAOYSA-N 435.440 4.119 5 20 IIBD Cc1ccc(NC(=O)c2ccccc2)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C 777917344 MUAVKGYUJNSKKJ-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD CCCC(=O)Nc1ccc(Cl)c(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c1 781769824 JGCPUXJYAXCKRD-GOSISDBHSA-N 430.848 4.119 5 20 IIBD Cc1nn(C)c(C)c1[C@H](OC(=O)c1cccc([N+](=O)[O-])c1Br)C(F)(F)F 782125341 VMIJZGDGZURWSN-ZDUSSCGKSA-N 436.184 4.168 5 20 IIBD COc1ccc(OCCOc2ccc3c(C(F)(F)F)cc(=O)oc3c2)c([N+](=O)[O-])c1 782306439 BRIXVEZQMKWLLX-UHFFFAOYSA-N 425.315 4.186 5 20 IIBD CCCC[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br)C1CCC1 784746260 NCLMLZDNERNXSQ-AWEZNQCLSA-N 426.311 4.079 5 20 IIBD Cc1ccc(F)c(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1Br 785114041 KEAQTAWQEBHGDE-UHFFFAOYSA-N 445.628 4.254 5 20 IIBD COc1ccccc1-c1csc(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)CC2)n1 791951855 IPVQVEGYJZQFLC-UHFFFAOYSA-N 438.509 4.329 5 20 IIBD COc1ccc(-c2nc(COC(=O)c3cccc([N+](=O)[O-])c3OC)cs2)cc1OC 796308989 MHAJDBCBDCSMJG-UHFFFAOYSA-N 430.438 4.101 5 20 IIBD CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 796811995 LDCXTFVXOGNAJG-RTBURBONSA-N 441.484 4.268 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc2ccccc2c1 798273374 WXJZURWIOGDPNV-QGZVFWFLSA-N 447.491 4.382 5 20 IIBD CC(C)(C)OC(=O)NCC[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 799396135 MAXMQURPDUQDJP-CYBMUJFWSA-N 426.901 4.407 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 799426644 DHGMJPWEJLHSRZ-OAHLLOKOSA-N 436.509 4.152 5 20 IIBD O=C(NCc1ccsc1Br)c1cc(F)cc([N+](=O)[O-])c1Br 801334091 ZMRPCWQSKUITRA-UHFFFAOYSA-N 438.072 4.250 5 20 IIBD CCc1cc(C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c2c(C(C)C)noc2n1 801457099 KDKQBDZTQVWSTJ-UHFFFAOYSA-N 437.412 4.224 5 20 IIBD O=C(NCCOC(=O)c1ccccc1Oc1ccncc1)c1ccc([N+](=O)[O-])cc1Cl 802054719 PCKYSMSAAZTYSJ-UHFFFAOYSA-N 441.827 4.022 5 20 IIBD C[C@]12CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)C[C@H]1C2(Cl)Cl 803547759 APKBPHIMNWTDJJ-MFKMUULPSA-N 426.069 4.152 5 20 IIBD COc1ccccc1[C@H]1CCN(S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 809393613 QYGAKTRHVMGRHV-NSHDSACASA-N 431.297 4.088 5 20 IIBD CC(C)(C)OC(=O)NC1[C@H]2CCC[C@H]1CC(c1nc(Cc3ccc([N+](=O)[O-])cn3)no1)C2 809435867 RMULCWOWUIBDJY-NRUSHDPLSA-N 443.504 4.151 5 20 IIBD C[C@@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(N2CCCCC2=O)cc1 810127838 HHRWBXYXPIIDKN-CQSZACIVSA-N 430.892 4.054 5 20 IIBD CC[C@H]1[C@@H](C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1C(=O)OC(C)(C)C 810589203 DTUOTXOROJFKRK-ROUUACIJSA-N 445.472 4.329 5 20 IIBD Cc1nc([C@H](C)OC(=O)CSc2nc3cc([N+](=O)[O-])ccc3n2-c2ccccc2)no1 811036515 CZKLFPXOSKDEAS-LBPRGKRZSA-N 439.453 4.022 5 20 IIBD O=C(COC(=O)c1ccccc1OCc1cscn1)Nc1ccc(Cl)c([N+](=O)[O-])c1 811855447 TWJRJJIOZOZNJG-UHFFFAOYSA-N 447.856 4.079 5 20 IIBD CCCC1=C(C(=O)OCC)[C@@H](c2ccc([N+](=O)[O-])o2)NC(=O)N1CCc1cccs1 812958958 WFZSSHCCWNQBSO-GOSISDBHSA-N 433.486 4.176 5 20 IIBD CC(=O)c1cc(COC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)on1 813140284 LQFBYYVZIKDIBJ-UHFFFAOYSA-N 429.816 4.408 5 20 IIBD Cc1c(C(=O)N2CCC[C@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cccc1[N+](=O)[O-] 814428001 IROLBLDLTVFMCY-ROUUACIJSA-N 431.533 4.403 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1 817768488 MIZNIOKIKHHSGK-OAHLLOKOSA-N 432.318 4.128 5 20 IIBD Cc1nc(Cc2ccccc2)sc1C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 915249297 GLELSQGTPDORAQ-UHFFFAOYSA-N 436.449 4.358 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCc1ccc(-c2nc3ccccc3s2)o1 915281295 FUKIGFQUHLLGDU-UHFFFAOYSA-N 433.449 4.131 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)O[C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)c1 915440283 VCXFNTNINZMCJH-HOTGVXAUSA-N 440.452 4.227 5 20 IIBD CCOC(=O)C1=C(C)Nc2ccccc2N=C1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 915809666 YXHWGCAPFKYIRU-UHFFFAOYSA-N 434.408 4.064 5 20 IIBD O=C(/C=C/c1cccnc1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 916418087 BJROWMXTRZHPGJ-JXMROGBWSA-N 434.521 4.076 5 20 IIBD COc1ccc2cc(CN(C)C(=O)COC(=O)c3cc4cc([N+](=O)[O-])ccc4[nH]3)ccc2c1 917329497 IYXZUCXZTNNFCP-UHFFFAOYSA-N 447.447 4.053 5 20 IIBD Cc1c(OC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cccc1[N+](=O)[O-] 917755726 JZJXCJWHGSDXOM-UHFFFAOYSA-N 447.476 4.244 5 20 IIBD C[C@@H]1CCc2c(sc3nc(CCC(=O)OCc4cc(F)ccc4[N+](=O)[O-])nc(O)c23)C1 918993394 AVTDHWUEVVEQAB-LLVKDONJSA-N 445.472 4.245 5 20 IIBD Cc1cnn(CCC(=O)O[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)c1 919639490 ISGHTGXHLBWQFC-FQEVSTJZSA-N 442.859 4.066 5 20 IIBD C[C@@H]1Oc2ccccc2N(CCC(=O)Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])C1=O 920330774 NJFBQPRMCVFSAA-INIZCTEOSA-N 432.432 4.371 5 20 IIBD O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1F 921160788 IJKCCQMCLDTWCS-MRXNPFEDSA-N 426.231 4.284 5 20 IIBD CC(C)(C(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F 1116615472 ZXQKCDSKFGFFEQ-OAQYLSRUSA-N 436.487 4.450 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])OCC(=O)c1ccc(Br)s1 1318538784 GJRHAWRKTCAXAK-UHFFFAOYSA-N 448.678 4.267 5 20 IIBD CCN(CC)C(=O)C1=C(C)N(c2ccc(F)cc2)C(=S)N[C@H]1c1ccc([N+](=O)[O-])s1 1320109779 POMMZMJRDNWVDA-SFHVURJKSA-N 448.545 4.374 5 20 IIBD O=C(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1-c1ncc(-c2ccccc2)o1 1337513737 BXSYUMLZXPZAMD-UHFFFAOYSA-N 449.444 4.036 5 20 IIBD C[C@@H]1Cc2cnccc2N1C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 1347749854 IHEBXFPHZUQCJA-CYBMUJFWSA-N 434.418 4.203 5 20 IIBD CCCCCn1nc(-c2nnc(Cc3cccc([N+](=O)[O-])c3C)o2)c2ccccc2c1=O 1348881036 GZBJNSPDJMLVEB-UHFFFAOYSA-N 433.468 4.444 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)CCc3ccoc3)CCC2)cc1 1785795169 YZKUWLCRZANSFT-UHFFFAOYSA-N 447.491 4.497 5 20 IIBD Cc1ncoc1C(=O)Nc1ccc(C2(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)CCC2)cc1 1787477884 JRQNRVVNHNOGIM-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD Cc1n[nH]cc1C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])cc2)CCC1 1792317586 XIUZHGSLJPFMFJ-KPKJPENVSA-N 445.479 4.087 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1OC 3401078 SPTMLNMNZLAOJY-ZDUSSCGKSA-N 427.486 4.001 5 20 IIBD CNc1ccc(C(=O)OCc2csc(N(C(C)=O)c3ccccc3)n2)cc1[N+](=O)[O-] 9924089 UDFNCEREPVMDQZ-UHFFFAOYSA-N 426.454 4.135 5 20 IIBD CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 14583000 FQPBRNBSKFCYKD-UHFFFAOYSA-N 426.347 4.441 5 20 IIBD CCN(CC)Cc1ccc(CNC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 16780714 FGDXEPSRRYTCKV-UHFFFAOYSA-N 449.555 4.228 5 20 IIBD CCOC(=O)c1c(-c2ccco2)csc1NC(=O)COc1cc(C)ccc1[N+](=O)[O-] 21615554 DVKXMSFNIKEBLQ-UHFFFAOYSA-N 430.438 4.419 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1 22390723 VKGKPFQWIYKAOZ-UHFFFAOYSA-N 425.514 4.380 5 20 IIBD C[C@@H](OC(=O)[C@@H](C)Oc1cccc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 24898109 IFTXJYCQWRWNMF-GHMZBOCLSA-N 427.240 4.239 5 20 IIBD CC(=O)c1ccc(Oc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c([N+](=O)[O-])c1 57366473 ZZSCEFOPRHSJFT-UHFFFAOYSA-N 432.479 4.476 5 20 IIBD O=C(COc1cccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c1)Nc1ccccc1 58564233 FILNDRUVUUZYSH-UHFFFAOYSA-N 430.420 4.346 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 61995447 OHLMZFNINSTZFW-ZDUSSCGKSA-N 426.281 4.193 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CSc3ncnc4c3cnn4-c3ccccc3)o2)cc1 69217393 DTMAOOSYVGVGJT-UHFFFAOYSA-N 431.437 4.066 5 20 IIBD O=C(N[C@H](COc1ccccc1F)c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 71931464 CSKPEVSGWISNCW-LJQANCHMSA-N 425.372 4.192 5 20 IIBD CCCCc1c(C)nc2nc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)nn2c1C 108243613 HWNVCKFHEGEZFB-CQSZACIVSA-N 428.518 4.111 5 20 IIBD O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 109878866 DEQHTIQMIOUYNG-UHFFFAOYSA-N 433.399 4.037 5 20 IIBD CCCC(=O)Nc1ccc(CNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)cc1 301188237 QMFQJQZJECEIJF-UHFFFAOYSA-N 441.875 4.145 5 20 IIBD CNC(=O)c1ccc(NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c([N+](=O)[O-])c1 301208316 QZVISVHYIZNMPO-UHFFFAOYSA-N 437.327 4.338 5 20 IIBD O=C(c1ccc(Cl)cc1)N1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 301380677 UFSQTMBNBOIYJB-UHFFFAOYSA-N 425.819 4.202 5 20 IIBD CCn1c(COc2ccc(C)cc2)nnc1SCCC(=O)Nc1ccccc1[N+](=O)[O-] 410058973 WFYYUFUDUHPVPJ-UHFFFAOYSA-N 441.513 4.215 5 20 IIBD Cc1nc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)ccc1C(=O)O 426649293 WVDGFOGQFYSQQM-UHFFFAOYSA-N 446.257 4.309 5 20 IIBD Cn1cc(CN(Cc2ccc(Cl)cc2)C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cn1 431261501 RIVOJPIURJTDGC-UHFFFAOYSA-N 437.887 4.235 5 20 IIBD CC[C@](C)(COc1ncccc1Cl)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 435453668 VAERLJJLJRZSLW-QGZVFWFLSA-N 442.697 4.383 5 20 IIBD COc1cc(CCNC(=O)N2CC3(CCCC3)c3ccccc32)c([N+](=O)[O-])cc1OC 435577889 GRBZJNRIHGJZNK-UHFFFAOYSA-N 425.485 4.196 5 20 IIBD CCN(CCOc1ccc(Br)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 437701251 VVYOQCXKVKGRHU-UHFFFAOYSA-N 438.278 4.299 5 20 IIBD Cc1c(Br)cc(-c2nc(-c3cccc(N4CCC4=O)c3)no2)cc1[N+](=O)[O-] 438823110 IMXCMMCCQLIMQY-UHFFFAOYSA-N 429.230 4.119 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N(Cc2ccc(F)cc2)C2CC2)cc1[N+](=O)[O-] 439243955 FFYFHULMDMYTCX-UHFFFAOYSA-N 443.294 4.158 5 20 IIBD Cc1cc(C)c(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1Br 440209656 YIGLORQMENPXQA-UHFFFAOYSA-N 426.654 4.205 5 20 IIBD O=C([C@@H]1CC(=O)N(c2ccccc2F)C1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 440601457 TWUGIYSFNXBGHU-GOSISDBHSA-N 433.439 4.320 5 20 IIBD C[C@H]1C[C@H](NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CN1Cc1ccccc1 444224483 JVIQLRDKBNOVNJ-WMZOPIPTSA-N 429.495 4.213 5 20 IIBD CC(C)COc1ccc(CCNC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 445174201 QWXMYNJQGSILDU-UHFFFAOYSA-N 427.320 4.426 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(-c3ccc(NS(=O)(=O)c4cccs4)cc3)n2)s1 445467846 BLPYRQMHHWTSLT-UHFFFAOYSA-N 434.480 4.236 5 20 IIBD CC(C)(c1noc(CN2C(=O)COc3ccc([N+](=O)[O-])cc32)n1)c1cccc(Cl)c1F 445601591 RLEKJJATJYHFCM-UHFFFAOYSA-N 446.822 4.022 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O 446036510 UAWFPSRYFVSMNX-UHFFFAOYSA-N 433.395 4.106 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(CCN3CCCC3)cc2)c(C(F)(F)F)c1 446960172 NSVWUVGAMHYJED-UHFFFAOYSA-N 443.447 4.053 5 20 IIBD Cc1cn(-c2ncccc2F)nc1NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 448188337 BHFACPJTHPDHRY-UHFFFAOYSA-N 433.399 4.668 5 20 IIBD Cc1nn(-c2ccc(C(=O)NCCc3ccccc3[N+](=O)[O-])cc2)c(C)c1Br 460501514 TUMSQCDOXDTUGF-UHFFFAOYSA-N 443.301 4.132 5 20 IIBD CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 461405646 YIKKGXFBJLIBNL-QGZVFWFLSA-N 431.920 4.156 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(NC(=O)[C@@H](C)n2cccn2)c1 462423245 TUVLMOSMFQLSDJ-SJLPKXTDSA-N 435.484 4.198 5 20 IIBD O=C(CC1CCCC1)N1CCCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 462482085 DMBWAFIBSGETRN-UHFFFAOYSA-N 438.528 4.188 5 20 IIBD C=Cc1ccc(CCNC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])cc1 462578122 NMGQJXNJAWKRQE-UHFFFAOYSA-N 439.493 4.254 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NCCCC(C)(C)CO)c([N+](=O)[O-])c1 462866128 JFKGGBGYQVXKRN-UHFFFAOYSA-N 435.546 4.021 5 20 IIBD COc1ccc(C2=NN(C(=O)COc3c(F)cccc3[N+](=O)[O-])[C@H](c3ccco3)C2)cc1 463574991 QKEYMUMQSFHFGJ-IBGZPJMESA-N 439.399 4.092 5 20 IIBD O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464622764 AZTHRICGINSGRY-UHFFFAOYSA-N 426.860 4.322 5 20 IIBD CC(C)(C)C(=O)Nc1ccccc1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464629657 KXCKRHWSEMALKF-UHFFFAOYSA-N 425.485 4.263 5 20 IIBD CCS(=O)(=O)c1cccc(CNCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)c1 466424026 UJFWIMSZFFEGCI-UHFFFAOYSA-N 439.537 4.446 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccncc1OCC(F)(F)F 466673480 TZHVBOWSIJMOPP-UHFFFAOYSA-N 429.420 4.363 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CC[C@H](c3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] 466895071 XNBFZIOZWOUTHY-GREBRCKQSA-N 435.524 4.303 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(Br)cc1C(F)(F)F 467428735 IHDJPYPZBRAMJR-UHFFFAOYSA-N 439.209 4.485 5 20 IIBD COC1CCC(C)(CNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CC1 471261721 USBSUDYBLZTJGH-UHFFFAOYSA-N 441.315 4.412 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 472696888 FTJMAXSQLAMGIH-DLBZAZTESA-N 439.365 4.144 5 20 IIBD C[C@@H](c1ccncc1)N1CCC(NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 475191935 RFSPHZXZURUBEY-ZDUSSCGKSA-N 437.422 4.356 5 20 IIBD CCc1nnc(-c2ccc(NC(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)cc2)o1 475720003 VKRCKLKZBVCATG-UHFFFAOYSA-N 437.456 4.283 5 20 IIBD COc1c(C(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)cccc1[N+](=O)[O-] 475917700 JGUATXVTQBDDIO-UHFFFAOYSA-N 432.498 4.103 5 20 IIBD CC(C)c1nccn1Cc1cccc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1 479716743 GOBQVMBRNCFSLY-UHFFFAOYSA-N 430.468 4.401 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccc(OCC(F)(F)F)nc1 479759544 ZJPXAIKXQXMDFJ-UHFFFAOYSA-N 429.420 4.015 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc1SC 479782570 GMYZNNWPSDUIMO-VIFPVBQESA-N 446.451 4.192 5 20 IIBD COc1ccccc1-c1nc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)n[nH]1 484535415 PINFIYVDRJKUOH-UHFFFAOYSA-N 444.451 4.253 5 20 IIBD CCN(C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)[C@H](C)Cc1ccccc1C(F)(F)F 484675505 DESGTFSAXWESAF-CYBMUJFWSA-N 438.402 4.494 5 20 IIBD CC(C)(Cc1ccccc1Cl)NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 485900304 ZTKNTXZBVRURTI-UHFFFAOYSA-N 431.876 4.074 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCCCn2cnc3ccccc32)cc1[N+](=O)[O-])c1ccccn1 486470349 GSHMFEJVRXMHRR-QGZVFWFLSA-N 444.495 4.333 5 20 IIBD Cc1ccc(-n2c(SCc3c(Cl)cccc3[N+](=O)[O-])nnc2N2CCOCC2)cc1 487714513 AFOMQUVEKCSXPZ-UHFFFAOYSA-N 445.932 4.266 5 20 IIBD CS(=O)(=O)c1cccc([C@H](NCCc2ccccc2[N+](=O)[O-])c2cc(F)ccc2F)c1 493279306 XIKLGWBWTIYHGK-QFIPXVFZSA-N 446.475 4.198 5 20 IIBD O=C(c1ccc2cc[nH]c2n1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 499810207 ILBQVVSSXILECB-UHFFFAOYSA-N 447.520 4.158 5 20 IIBD CCOc1cc(C(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)c([N+](=O)[O-])cc1OC 499842170 VYDUTCDDFIXUBP-UHFFFAOYSA-N 441.415 4.259 5 20 IIBD CC(C)(CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc2c(c1)OCCO2 500047928 GFKKFPGZGSTDEA-UHFFFAOYSA-N 439.493 4.197 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](Oc3ccccc3Cl)C2)cc1OC 504656010 UCVDEICRIMLLSF-AWEZNQCLSA-N 434.876 4.339 5 20 IIBD CCOc1cc(C(=O)Nc2cccc(OCc3cscn3)c2)c([N+](=O)[O-])cc1OC 505062543 SRPGGNBLLAHYCN-UHFFFAOYSA-N 429.454 4.290 5 20 IIBD CN(c1ccc(OCc2c(F)cccc2[N+](=O)[O-])cc1)S(=O)(=O)c1ccc(F)cc1 505569960 CQSPTDPHMZDFDC-UHFFFAOYSA-N 434.420 4.277 5 20 IIBD C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 508179107 GEUBIRCAGPNZCM-CYBMUJFWSA-N 433.386 4.288 5 20 IIBD Cn1c(SC[C@@H]2CCN(C(=O)c3ccccc3)C2)nc2cc3ccccc3cc2c1=O 509088178 AEVWVOYSYBSPIF-QGZVFWFLSA-N 429.545 4.341 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)c1ccccc1F 509155851 ULQAJYGWAJCAKV-NSHDSACASA-N 442.228 4.480 5 20 IIBD COCCn1cc2c(n1)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)CCC2 509689950 AEKBHGXZPXOVCZ-FQEVSTJZSA-N 436.468 4.037 5 20 IIBD C[C@H](CC1CCCCC1)C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 510203872 POYGROLDMFDCGO-CYBMUJFWSA-N 437.543 4.429 5 20 IIBD Cc1cccc(CN(Cc2ccccn2)S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1 510259329 JPOVSXZZHCFLBS-UHFFFAOYSA-N 425.510 4.306 5 20 IIBD O=C(NCCCc1cccc(C(F)(F)F)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 510361011 HMEYHJLTFCXKKH-UHFFFAOYSA-N 436.434 4.078 5 20 IIBD Cc1cc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c(C)o1 514314888 KHOPBAUWCYNKKP-UHFFFAOYSA-N 429.454 4.166 5 20 IIBD O=C(NCCC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 515860455 FSJCZRLXYSUKMB-SFHVURJKSA-N 436.295 4.385 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 516121534 FZDNQPCKPXVDCR-UHFFFAOYSA-N 431.448 4.336 5 20 IIBD CC(=O)N[C@H](Cc1nc(-c2ccc([N+](=O)[O-])cc2C)no1)c1ccc(Br)cc1 517002773 WKXFCFRXXBHDKE-QGZVFWFLSA-N 445.273 4.136 5 20 IIBD CCC(=O)Nc1cccc(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 518431026 MFYQCPQQJLGRHS-INIZCTEOSA-N 447.495 4.441 5 20 IIBD COc1ccc(OC2CCN(Cc3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])CC2)cc1 518459436 IRFIQGGMYFSCFK-UHFFFAOYSA-N 438.427 4.257 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Nc1cc(Cl)ccc1OCC(F)(F)F 520112753 PUCQGMVSHMVNEA-UHFFFAOYSA-N 428.747 4.129 5 20 IIBD CCOc1cc(C(=O)N(Cc2ccccc2)CC2CCOCC2)c([N+](=O)[O-])cc1OC 521933325 MMLUUSMWLIKDCE-UHFFFAOYSA-N 428.485 4.071 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCC(C)(C)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] 522534110 SNBCBBSPNVXEBB-HXUWFJFHSA-N 443.931 4.255 5 20 IIBD COc1cc([C@@H](C)NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)ccc1OC1CCCC1 523223120 LFAJTRKCXNMABO-CQSZACIVSA-N 430.505 4.006 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCC1(c2ccc(F)cc2)CCOCC1 523957931 GWAANLFXCJDCES-UHFFFAOYSA-N 436.867 4.021 5 20 IIBD CC(C)(C)Cc1nc(-c2ccc(C(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)cc2)no1 525559483 SYOCTNSEARKGSK-UHFFFAOYSA-N 449.511 4.196 5 20 IIBD COc1ccc(-c2ccc(CNCc3cc4c(cc3OC(F)F)OCO4)o2)c([N+](=O)[O-])c1 531535573 LCLZAGGBPNYGIP-UHFFFAOYSA-N 448.378 4.483 5 20 IIBD C[C@]1(c2ccc3ccccc3c2)NC(=O)N(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1=O 534060424 GLVRWZBOVAYQSK-XMMPIXPASA-N 442.431 4.370 5 20 IIBD C[C@H](NC(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 534234916 LGHXAVUXRBGASG-ZSOFBXJNSA-N 434.899 4.441 5 20 IIBD COc1cc(C(=O)N(C)C[C@H]2CCC[C@H]2O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 534391643 WTXIPRVRORETNU-RHSMWYFYSA-N 434.876 4.282 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCC(O)(C(F)(F)F)CC1 534917878 RZGJWQWPUPTRAI-UHFFFAOYSA-N 426.416 4.275 5 20 IIBD COC(=O)CCSc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c1 535184131 BXIKLFSTLPCRLL-UHFFFAOYSA-N 439.287 4.265 5 20 IIBD O=C(Nc1ccc2oc(C3CC3)nc2c1)c1cc(I)cc([N+](=O)[O-])c1 535736554 WKOQHVHPDHMRTI-UHFFFAOYSA-N 449.204 4.470 5 20 IIBD CCC[C@@H](NCc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 536879498 XJTMGQFMHGCCJE-IEGUWTFLSA-N 425.529 4.475 5 20 IIBD CSc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] 537373841 VOQHSXYYGLSPEQ-ZDUSSCGKSA-N 444.387 4.161 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCC2([C@H](C)CCO)CCC2)cc1[N+](=O)[O-])c1ccccn1 538360900 TVPYUIKGFOTLJC-IAGOWNOFSA-N 426.517 4.082 5 20 IIBD O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c1 539421120 ANEUKFHMPNKSJB-HOCLYGCPSA-N 438.324 4.247 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N1C[C@H]2[C@@H](O)CC[C@H]2C1 542423554 GTLYPGYENRGZNY-QXYVLNDHSA-N 449.532 4.365 5 20 IIBD COc1cc(CCC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc(OC)c1OC 543710216 DZMRSDIFOQNPOF-UHFFFAOYSA-N 428.363 4.211 5 20 IIBD O=c1c2c(-c3cccs3)csc2ncn1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 545553357 LUAGKGBOYJETHU-UHFFFAOYSA-N 437.462 4.193 5 20 IIBD COc1ccc(OCc2ccccn2)c(/C=C\c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)c1 546963959 KBMWGVFCJSQYAD-POHAHGRESA-N 445.435 4.380 5 20 IIBD O=C(N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 553487422 UUASIUCRNVRHGT-SFHVURJKSA-N 429.358 4.295 5 20 IIBD Cc1csc(Sc2ccc(-c3nc(CC(=O)N4CCCCC4)no3)cc2[N+](=O)[O-])n1 554008539 YKYOWMQHGDEJRG-UHFFFAOYSA-N 445.526 4.116 5 20 IIBD Cc1ccc(-n2cc(NC(=O)C(=O)Nc3ccc(C(C)(C)C)c([N+](=O)[O-])c3)cn2)c(C)c1 556540322 BIGUAWBMQDSCCY-UHFFFAOYSA-N 435.484 4.272 5 20 IIBD CSc1cccc(C(=O)N2CCN(c3cccc(Br)c3)CC2)c1[N+](=O)[O-] 557185294 HBRNVJSLHIQWOP-UHFFFAOYSA-N 436.331 4.042 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 557449444 SCLHJXQSRPHVEC-XMMPIXPASA-N 430.508 4.297 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC(c4ccccc4)CC3)n2C[C@@H]2CCOC2)c1 559202075 DCGYOSPPEVQDNN-SFHVURJKSA-N 433.512 4.274 5 20 IIBD CSc1ccc([C@H](CN[C@H](c2cccc([N+](=O)[O-])c2)c2nccn2C)N(C)C)cc1 559919830 SLJIEYWDESPSOM-LEWJYISDSA-N 425.558 4.032 5 20 IIBD O=[N+]([O-])c1ccc(CCS(=O)(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)cc1 560019242 OCBPFKFHBVNVBV-UHFFFAOYSA-N 437.930 4.034 5 20 IIBD COc1ccc(Cc2nc(C3(c4ccccc4Br)CC3)no2)cc1[N+](=O)[O-] 568565255 IEXSNCHYZYOYEA-UHFFFAOYSA-N 430.258 4.420 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 572352073 QXYOOSXSGYNDIF-UHFFFAOYSA-N 439.418 4.280 5 20 IIBD COc1cc(Cc2noc(CCC(=O)c3cc(C)sc3C)n2)c([N+](=O)[O-])c(OC)c1 574026325 BURGYXPWGKGOKI-UHFFFAOYSA-N 431.470 4.080 5 20 IIBD Cc1cc(-c2ncco2)ccc1NC(=O)c1cc(I)cc([N+](=O)[O-])c1 580908560 BNGCMRUIVQKLNH-UHFFFAOYSA-N 449.204 4.415 5 20 IIBD O=C(C[C@H]1CCCC(=O)N1)Nc1cc([N+](=O)[O-])ccc1Nc1cccc(C(F)(F)F)c1 588824605 BKFPEPLIEYRVBT-CQSZACIVSA-N 436.390 4.355 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-n2cccn2)cc1C(F)(F)F 604470765 DSPWQMVEUZXGPL-UHFFFAOYSA-N 440.403 4.163 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNC2CCN(CC(F)F)CC2)cc1 608836813 IEOXJXQZOGPDGT-UHFFFAOYSA-N 441.482 4.267 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 608874446 AQPHBRULQYJZDQ-UHFFFAOYSA-N 431.330 4.257 5 20 IIBD NC(=O)c1cccc(Oc2ccc(NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)cc2)c1 609461448 OUJPQULKVDAKMG-UHFFFAOYSA-N 434.452 4.317 5 20 IIBD Cc1cccnc1[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)C(C)C 609645311 CWXOXFHCKAFNKM-HNNXBMFYSA-N 439.253 4.030 5 20 IIBD O=C(NCc1ccc(Cn2cncn2)cc1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609782218 VFPUNFXMXHTGKE-UHFFFAOYSA-N 444.451 4.349 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H](Cn1cccn1)c1ccccc1 610154850 NFJFNTIWUSQTFB-SFHVURJKSA-N 447.417 4.170 5 20 IIBD O=C(NCC1(c2ccccc2Br)CC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 610156081 QYKWWXZAHIOAJV-UHFFFAOYSA-N 441.285 4.005 5 20 IIBD COc1ccc(CN(Cc2ccccc2)C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)cc1 610171082 IJEDNGIZPNXNST-UHFFFAOYSA-N 436.464 4.463 5 20 IIBD COc1cc(CN(C)Cc2nc3ccccc3n2C)c([N+](=O)[O-])cc1OCC(F)(F)F 611271699 YRBAFVPYLYLBJP-UHFFFAOYSA-N 438.406 4.063 5 20 IIBD O=C(c1ccc(O)cc1)C1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC1 618588323 ZJKLNGSINSMOFX-UHFFFAOYSA-N 445.344 4.449 5 20 IIBD Cn1cnc([N+](=O)[O-])c1Sc1nnc(-c2ccccc2Cl)n1Cc1ccccc1 619694661 BCBCIKLLCNMJFB-UHFFFAOYSA-N 426.889 4.440 5 20 IIBD Cc1cccc2[nH]cc(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4C(F)(F)F)CC3)c12 728821279 DANPXYPYXIDCCY-UHFFFAOYSA-N 446.429 4.295 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 728896875 IXQDUISHRHRCCH-OAHLLOKOSA-N 437.562 4.181 5 20 IIBD C[C@@H](OC(=O)Cc1ccccc1C(F)(F)F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 729760753 IBQNQHPXHLPRQG-SNVBAGLBSA-N 430.766 4.380 5 20 IIBD O=C(OCCOc1ccc(C(F)(F)F)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 730597833 ODKURTJKNRWDQP-UHFFFAOYSA-N 438.402 4.452 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)c(C(F)(F)F)c1 732667192 KPAZXTHPBRNPIC-GOSISDBHSA-N 429.826 4.123 5 20 IIBD CC1CCN(c2ccc(C(=O)NC[C@@H](O)c3ccc(OC(C)C)cc3)cc2[N+](=O)[O-])CC1 734872592 PIVHUEOKOPNJPL-HSZRJFAPSA-N 441.528 4.082 5 20 IIBD CC(C)(C(=O)O[C@@H]1CCCN(C(=O)c2ccccc2Cl)C1)c1ccc([N+](=O)[O-])cc1 740556880 FTRBCHVMLMWAIF-QGZVFWFLSA-N 430.888 4.374 5 20 IIBD CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 741932338 TVVUSMFEQQJRFU-VBKZILBWSA-N 430.888 4.291 5 20 IIBD C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)(C)CN(C)C 742185494 NUEGLOFKHVMSEZ-AWEZNQCLSA-N 446.935 4.207 5 20 IIBD Cc1cc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)ccc1[N+](=O)[O-] 743342728 PAXJXCIOGGCQAW-UHFFFAOYSA-N 427.438 4.207 5 20 IIBD O=C(OCc1nc(CCc2ccccc2)no1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 744894850 LRCJKCNBRUIGAG-UHFFFAOYSA-N 436.449 4.244 5 20 IIBD CC(C)N(Cc1cc(Br)ccc1F)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 746034096 WWHUWBOBKJXNLD-UHFFFAOYSA-N 438.253 4.272 5 20 IIBD CCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 746180974 GDCPJGQCXSWSGN-UHFFFAOYSA-N 433.711 4.222 5 20 IIBD O=C(OC[C@H]1CCCN(C(=O)c2ccccc2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 749070077 AEVKIHQVBFGCKP-AWEZNQCLSA-N 436.386 4.323 5 20 IIBD O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCO[C@@H](c2ccc(Br)cc2)C1 749924064 IUDMHKHWLKVLBQ-OAHLLOKOSA-N 425.666 4.224 5 20 IIBD Cc1nn(CN(Cc2cc(Br)ccc2F)C2CC2)c2ncc([N+](=O)[O-])cc12 749947113 FSYDUGBCQVSVNV-UHFFFAOYSA-N 434.269 4.172 5 20 IIBD CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 750840567 SEPHAMQNCAYNAM-SFHVURJKSA-N 444.326 4.027 5 20 IIBD O=C(C[C@H]1CSCCS1)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 752815991 ADXISHGZECPLKN-HNNXBMFYSA-N 430.511 4.218 5 20 IIBD CC(=O)Nc1cccc2c1CCCN2C(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754987505 HEPONANSMWBQBU-UHFFFAOYSA-N 436.237 4.048 5 20 IIBD CN(C)CCN(Cc1cccs1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 755026933 AZRLDLISTGOAGA-UHFFFAOYSA-N 427.324 4.015 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@H](C)c2ccc([S@](C)=O)cc2)CC1 756028147 BJXFNEQOCWLQBX-JTBPQFFMSA-N 429.542 4.060 5 20 IIBD O=C(O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1cnc(Cc2ccc(F)cc2)s1 759946062 UOIWKRKKYGPLAP-HOTGVXAUSA-N 430.461 4.318 5 20 IIBD O=Cc1ccc(OCC(=O)Nc2ccc3cc(Br)ccc3c2)c([N+](=O)[O-])c1 763712780 JWQNKWYVUJODQS-UHFFFAOYSA-N 429.226 4.341 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1nc2ccccc2n1C(F)F 763748456 YOINUXIATMRFRQ-LLVKDONJSA-N 437.424 4.342 5 20 IIBD CN1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1c1ccc(Cl)c(F)c1 764323003 MWQOGFVOBQJHLL-UGSOOPFHSA-N 426.275 4.464 5 20 IIBD CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2cnc(C3CCCC3)s2)NC(=S)N1 767869894 PFBKDLUMEMTKRE-KRWDZBQOSA-N 443.554 4.140 5 20 IIBD O=C(NCC[S@](=O)Cc1ccccc1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 767983016 OYLZZZSUXLHTNN-PMERELPUSA-N 440.546 4.425 5 20 IIBD CC(C)=CC(=O)NCc1ccc(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1 770331155 RHFKORBWHFJUGZ-UHFFFAOYSA-N 432.274 4.192 5 20 IIBD COc1cc(/C=C(/Cl)c2nnc(C(=O)NCc3ccccc3)s2)ccc1[N+](=O)[O-] 770570493 CHTTZRQJJGAXMR-NTEUORMPSA-N 430.873 4.122 5 20 IIBD O=C(c1cc([N+](=O)[O-])c2nsnc2c1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 771504614 YSJFWVXFHGMPCZ-UHFFFAOYSA-N 443.872 4.414 5 20 IIBD CSC(C)(C)CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 772478108 FYFSXJVMWQZISW-UHFFFAOYSA-N 425.557 4.004 5 20 IIBD CSc1ccccc1CC(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 777166190 GAOCJXJIHNOYKS-UHFFFAOYSA-N 428.388 4.060 5 20 IIBD Cc1c(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 778137382 HYVGZAIULACRBD-LBPRGKRZSA-N 435.820 4.132 5 20 IIBD Cc1noc2nc(C(C)C)cc(C(=O)O[C@H]3CCN(c4ccc([N+](=O)[O-])cc4F)C3)c12 778809870 KORHXUKLZVUPCP-AWEZNQCLSA-N 428.420 4.138 5 20 IIBD C[C@@H](OC(=O)[C@@H](c1cccc(Cl)c1)N(C)C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 780103099 SXQWJWNRHXNSLY-SJKOYZFVSA-N 430.848 4.205 5 20 IIBD Cc1nc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3I)ccc2s1 781222332 GEFMPTDIZHYGHH-UHFFFAOYSA-N 439.234 4.370 5 20 IIBD Cn1nc(C(F)(F)F)c(COC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1Cl 781260526 WCUURUFMGFIJMO-UHFFFAOYSA-N 435.789 4.444 5 20 IIBD O=C(Nc1ccc(CC[C@@H](O)c2ccccc2)cc1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 782007719 ZXEPEIGJYXYQMA-RPWUZVMVSA-N 445.475 4.393 5 20 IIBD CCN(CC)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1Br)Cc1ccccc1 782167925 UPKDFRIRYYBUPI-MRXNPFEDSA-N 434.334 4.040 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N(Cc1c(F)cccc1F)C1CCCC1 784501661 MYVPEHAOXYLECW-UHFFFAOYSA-N 437.830 4.436 5 20 IIBD CC(C)(C)c1cnc(CCC(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 786205900 MJDOOSBOPIIKMJ-UHFFFAOYSA-N 443.378 4.014 5 20 IIBD C[C@H]1[C@@H](C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)CCN1C(=O)OC(C)(C)C 786637812 LOROCWZLYRRSET-KBPBESRZSA-N 446.529 4.327 5 20 IIBD COc1ccc(NC(=O)[C@H](OC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C(C)C)cc1 791213064 VKYDSPPBYUZIGR-OAQYLSRUSA-N 441.484 4.024 5 20 IIBD COCc1nc(C(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(-c2ccccc2)s1 792294440 NGPBJZPCQLAWFX-UHFFFAOYSA-N 429.410 4.130 5 20 IIBD CCOc1cc(N2CCN(Cc3cccc(SC(=O)N(C)C)c3)CC2)ccc1[N+](=O)[O-] 793304511 VVMRWACUVORVDE-UHFFFAOYSA-N 444.557 4.089 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@]2(CCN(Cc3c(Br)cccc3[N+](=O)[O-])C2)C1 793605836 RRWJOMSFQPHCOW-IBGZPJMESA-N 440.338 4.190 5 20 IIBD CC[C@@H]1CN([C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C[C@@H](C)[S@@]1=O 796368358 UXHMXTFCPAYYCQ-RLLBIIETSA-N 449.960 4.159 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)OCC(C)(C)COc2ccccc2)cc1[N+](=O)[O-] 802296114 BDLWRMXRYMZLPD-UHFFFAOYSA-N 442.497 4.137 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(C)cc1Br 803638237 GOSROTDAAHPHGV-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD CC1(C)CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])[C@@H]1c1cccs1 805149402 FETZSTJBQPHZFF-CQSZACIVSA-N 431.333 4.191 5 20 IIBD CC[C@@H](NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1cccc(Cl)c1 810348368 VEHJUTJHVNOFLU-CQSZACIVSA-N 440.681 4.217 5 20 IIBD O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCCN(Cc2ccc(F)cc2)CC1 813398474 ZAIVRLFLXPJRGS-UHFFFAOYSA-N 426.275 4.389 5 20 IIBD CCC(CC)(CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)NC(=O)OC(C)(C)C 815736736 JVQVCDXIUFVABH-UHFFFAOYSA-N 433.427 4.427 5 20 IIBD COc1ccc(CSCC(=O)O[C@H](C)C(=O)Nc2cccc(C)c2C)cc1[N+](=O)[O-] 914800048 HUNDATOJRUQWPU-OAHLLOKOSA-N 432.498 4.024 5 20 IIBD COc1ccc(CSCC(=O)O[C@@H](C)c2nnc(-c3cccc(C)c3)o2)cc1[N+](=O)[O-] 914802201 VUJIDFSKNUOJMG-AWEZNQCLSA-N 443.481 4.499 5 20 IIBD COC(=O)c1occc1COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1 915250761 YFNMUHYDSJMWCC-UHFFFAOYSA-N 427.365 4.132 5 20 IIBD O=C(CCc1ccccc1Br)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 917319989 JCDUMMPWBALBJJ-UHFFFAOYSA-N 432.230 4.083 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)N(Cn1nc(-c3ccncc3)n(-c3ccccc3)c1=S)CC2 919948403 XXQUIPPYHNVLEL-UHFFFAOYSA-N 430.493 4.394 5 20 IIBD Cc1ccc(N(Cc2cccs2)C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)cc1 920280141 VOKUIYULQWAQEW-UHFFFAOYSA-N 430.507 4.215 5 20 IIBD C[C@@H](COc1ccccc1F)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 1320341415 UOHFZWHGYUMLEC-VIFPVBQESA-N 431.645 4.347 5 20 IIBD Cc1c(NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cccc1C(=O)NCCO 1324124129 IRLIXAUPJAOLEQ-UHFFFAOYSA-N 429.860 4.151 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)o2)cc1Cl 1326072951 SCALGASTIBEIJV-UHFFFAOYSA-N 448.888 4.140 5 20 IIBD COc1cc(-c2nnc(-c3csc(-c4cccc([N+](=O)[O-])c4)n3)o2)cc(OC)c1OC 1326484676 RABRRYVGMDKSID-UHFFFAOYSA-N 440.437 4.461 5 20 IIBD Cc1c(F)cccc1C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1 1785955150 CDBFGTHYMHSWAO-UHFFFAOYSA-N 436.443 4.432 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccccc4F)cc3)CCC2)ncc1[N+](=O)[O-] 1790214379 LNRCLRKYINLZSY-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@@H]3C[C@@]3(F)Cl)cc2)CCC1)c1cc(F)cc([N+](=O)[O-])c1 1791677524 LVHAWAOAFWMRSV-UWJYYQICSA-N 449.841 4.406 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@@H]3CCCSC3)cc2)CCC1)c1ccc([N+](=O)[O-])o1 1792283120 FEVHCCIUCUBLQZ-CQSZACIVSA-N 429.498 4.079 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc2occc2c1 1793939654 VBYOLVQEQQWSBZ-WKCHPHFGSA-N 447.491 4.226 5 20 IIBD Cc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C3)cc1C 1794051526 MCERTAZZFYSBKN-LKZBZSNWSA-N 447.535 4.106 5 20 IIBD CC[C@H](C)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])[nH]n1 1815048022 XHOOXKLYMGGIBA-ONHSTZBPSA-N 439.516 4.460 5 20 IIBD Cc1ccoc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1824276671 OXLGUOCXWUGBOF-XZXOBPBMSA-N 441.484 4.036 5 20 IIBD Cc1ccc(F)c(C(=O)N2CC3(CCCN3C(=O)c3cc(Cl)cc([N+](=O)[O-])c3C)C2)c1 1845499909 WUJSJVZWCZAWRT-UHFFFAOYSA-N 445.878 4.135 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCC(F)(F)C1 1847222775 ZXVAVCBOWLQLTQ-RCBQFDQVSA-N 449.479 4.060 5 20 IIBD CCOc1ccc(NC(=O)[C@@H](C)OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 11278795 ZRUKJZWBUHNILW-QGZVFWFLSA-N 444.487 4.124 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCC(=O)c1ccc(I)cc1 15411201 YHIMYGZQRZPRJC-UHFFFAOYSA-N 438.221 4.109 5 20 IIBD O=C(NCCc1ccc(F)cc1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 15789531 HSRZAVVAAMSKHG-UHFFFAOYSA-N 439.409 4.328 5 20 IIBD Cc1nn(CC[C@H](NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)c(C)c1[N+](=O)[O-] 17657184 WDBATUHIKLPAAG-IBGZPJMESA-N 448.932 4.171 5 20 IIBD COCc1c(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)oc2ccccc12 21454107 RATCTIINAYZMEA-NSHDSACASA-N 432.816 4.325 5 20 IIBD CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 21613122 ZFCCPKNETFYRHU-KGLIPLIRSA-N 428.441 4.079 5 20 IIBD O=C(CCc1ncc(-c2ccccc2F)o1)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 21803324 QXCHFTUAZMEMKM-UHFFFAOYSA-N 438.371 4.115 5 20 IIBD COc1ccccc1CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1cccs1 23992779 VKXUJUMYUOSWJJ-UHFFFAOYSA-N 441.509 4.314 5 20 IIBD COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)cc1 24967575 FKVBJGYEAAPRAW-LLVKDONJSA-N 447.904 4.172 5 20 IIBD O=C(COC(=O)c1c(Cl)ccc(Cl)c1Cl)Nc1cc2c(cc1[N+](=O)[O-])OCO2 26427126 GHTMISVLKGTQAA-UHFFFAOYSA-N 447.614 4.079 5 20 IIBD C[C@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)Nc1cccc([N+](=O)[O-])c1 36796043 KTRJVFRSTHNFIU-QMMMGPOBSA-N 445.810 4.429 5 20 IIBD O=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 46576966 GHJMKBRAQBOVIU-UHFFFAOYSA-N 448.454 4.076 5 20 IIBD COc1cc(C(=O)N[C@H]2CCN3CCCC[C@@H]23)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 60722414 LPDIMRFLFQJXSC-IRXDYDNUSA-N 445.903 4.406 5 20 IIBD CCc1c(C(=O)CSc2nc3cc4ccccc4cc3c(=O)n2C)[nH]c(C)c1C(C)=O 63429600 XNBDUBXLCIVXOO-UHFFFAOYSA-N 433.533 4.463 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccccc1-c1ccc(Cn2cccn2)cc1 72096225 NQQBYMVHZNYJKJ-UHFFFAOYSA-N 426.476 4.366 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)cc1 105770478 MCHHJQQNEGUVCE-UHFFFAOYSA-N 447.904 4.034 5 20 IIBD C[C@H](Nc1ccc(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)cc1)c1ccccc1 108711076 AHXVBQLKBYRVBG-INIZCTEOSA-N 446.463 4.132 5 20 IIBD CS(=O)(=O)c1ccc(NCc2cccc(NC(=O)c3ccc(F)cc3)c2)c([N+](=O)[O-])c1 301116643 XXOGGLFBJLVFNL-UHFFFAOYSA-N 443.456 4.002 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N1CC[C@@H](Nc2ccccc2)C1 301271592 XRIVJGYNKPXLKX-LJQANCHMSA-N 438.509 4.086 5 20 IIBD O=[N+]([O-])c1ccc(I)c(Oc2ccnc(Cc3ccccc3)n2)c1 302496554 BNMFHGMPEQHSDQ-UHFFFAOYSA-N 433.205 4.373 5 20 IIBD COc1ccc(Br)c(CN(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 429310863 XVLLRRYPOIVKBT-UHFFFAOYSA-N 442.697 4.090 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cc(O)c(Br)cc1Br 431446897 SNLAZGBOFKRFBU-UHFFFAOYSA-N 444.079 4.397 5 20 IIBD COc1ccc(NC(=O)c2cccc(OC)c2[N+](=O)[O-])cc1OCc1cn2ccccc2n1 435560572 WOQLMOZUBVQJOH-UHFFFAOYSA-N 448.435 4.091 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCN(c2cccc(Cl)c2)CC1 435831041 MDAISYOFLDOIGX-UHFFFAOYSA-N 435.886 4.436 5 20 IIBD CC(=O)Nc1cccc([C@@H](C)NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 435921508 FCFSSAKVUMOSJJ-GFCCVEGCSA-N 435.430 4.409 5 20 IIBD COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccc(O)c([N+](=O)[O-])c1)CCO2 436970485 LVMBOADSRYEGNP-FQEVSTJZSA-N 434.448 4.475 5 20 IIBD COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 437811895 UKIQINUWCVFJNA-UHFFFAOYSA-N 427.501 4.135 5 20 IIBD CC[C@](C)(O)CN(Cc1ccccc1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 439095903 LDTVAFIZMUOGNX-SFHVURJKSA-N 447.340 4.254 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCC(C)(C)C[C@@H](C)O)cc1[N+](=O)[O-] 439730590 VKIJKEGHFWKIJC-CQSZACIVSA-N 430.526 4.075 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl 439888598 LTGUFLUTWMOXQZ-UHFFFAOYSA-N 427.244 4.061 5 20 IIBD CSc1ccc(C(=O)NC2(c3noc([C@@H]4CCOC4)n3)CCCCCC2)cc1[N+](=O)[O-] 439909443 KLQVSOFJAMOVGW-OAHLLOKOSA-N 446.529 4.183 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)N(C[C@@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F 440416267 NKMUXHZZACHIJB-GOSISDBHSA-N 435.446 4.430 5 20 IIBD CCO[C@@H](C)c1nc(CN2CCN(Cc3cc([N+](=O)[O-])ccc3OC(C)C)CC2)cs1 441355256 JFLRSMALCIOSBA-KRWDZBQOSA-N 448.589 4.254 5 20 IIBD O=C(NCc1cn2cc(Br)ccc2n1)c1cccc2c(=O)c3ccccc3[nH]c12 445188984 UTQGDZZUYRQLEE-UHFFFAOYSA-N 447.292 4.022 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(CC(=O)NCc2cccc(Cl)c2)no1 445843400 XRQUACVJIPZHDN-GFCCVEGCSA-N 432.889 4.343 5 20 IIBD CN(C(=O)c1cccc2c(=O)c3ccccc3[nH]c12)c1ccc(OCCN2CCCC2)cc1 446231103 IDJSUNQRRDHBPS-UHFFFAOYSA-N 441.531 4.433 5 20 IIBD O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)N1CCOc2ccc([N+](=O)[O-])cc2C1 460151291 OVXGLHJWBKQUPG-SFHVURJKSA-N 433.411 4.178 5 20 IIBD C[C@H](CNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Oc1cccc(F)c1 460501496 FWLOBTUFTJEXLF-LLVKDONJSA-N 432.395 4.429 5 20 IIBD O=C(NC1(c2cccc(C(F)(F)F)c2)CCC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 460526539 LEKSKTJTNDXRNI-UHFFFAOYSA-N 431.374 4.004 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N1CC2(CCC2(F)F)C1 461293746 ZJOQNEPQMFLUKJ-UHFFFAOYSA-N 438.434 4.248 5 20 IIBD CCn1nc(C)c(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1C 461297962 IKGVBASVMCXZTO-UHFFFAOYSA-N 439.438 4.302 5 20 IIBD C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C1 461302206 ORRWQVSYHYKUEF-CXAGYDPISA-N 441.488 4.237 5 20 IIBD Cc1ccc(-c2nnc(N(Cc3ccccc3[N+](=O)[O-])C3CC3)n2C[C@@H]2CCOC2)s1 461521354 ICLSQSQSGNTTJM-INIZCTEOSA-N 439.541 4.429 5 20 IIBD Cc1csc(C2(NS(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])CCCC2)n1 462130862 WWNYIVAMYRQYJT-UHFFFAOYSA-N 436.342 4.414 5 20 IIBD C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 462404003 VMUVXVBJIKXJMI-XJKCOSOUSA-N 439.331 4.313 5 20 IIBD Cc1nc(Cc2nnc(Sc3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)o2)cs1 462447487 WFHAUPBMLRPOJZ-UHFFFAOYSA-N 441.494 4.459 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 462762905 CJFTYYQKBIKRHA-OXQOHEQNSA-N 434.439 4.365 5 20 IIBD COc1ccc(C(=O)NCC(=O)N[C@@H](C)c2ccc(Cl)c3ccccc23)cc1[N+](=O)[O-] 462844952 KBWSCWFSLYGSLG-ZDUSSCGKSA-N 441.871 4.017 5 20 IIBD NC(=O)c1ccc(Oc2ccc(C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)cc2)cc1 466295997 FYOMVOIYYXNVPL-UHFFFAOYSA-N 425.828 4.069 5 20 IIBD CC1(C)CN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CC(C)(C)O1 468057961 CYUXEMZLKJJPGP-UHFFFAOYSA-N 427.288 4.117 5 20 IIBD CCOC(=O)[C@H](C)N(C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1)C1CC1 470749673 QLNWQXVZESCPQP-LBPRGKRZSA-N 435.527 4.067 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCC[C@H](C)N(C)Cc3ccccc3)cc2)c(C)c1[N+](=O)[O-] 471475642 LFCXMBJVUVUUTJ-SFHVURJKSA-N 449.555 4.097 5 20 IIBD Cc1ccc(SC[C@H](C)NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 472262777 XYTZMWRFBYFWGA-AWEZNQCLSA-N 443.554 4.094 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(F)cc(NCC(F)(F)F)c2)cc1OC 473242404 LGZIDNFGAIEKBB-UHFFFAOYSA-N 431.342 4.368 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3c[nH]cc3-c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] 477358050 VRFBWIUKXHGLRP-UHFFFAOYSA-N 438.459 4.090 5 20 IIBD O=c1c(Cl)cc([N+](=O)[O-])cn1Cc1csc(-c2ccc(Br)cc2)n1 477553944 TVLPWVBYKVDVGU-UHFFFAOYSA-N 426.679 4.344 5 20 IIBD Cc1c(CNC(=O)Nc2ccccc2CS(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] 484124326 BRSSGIIWCRGZNO-UHFFFAOYSA-N 439.493 4.199 5 20 IIBD Cc1cc(OCC(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)ccc1[N+](=O)[O-] 485372599 JJGKUPCEHTZZOH-MRXNPFEDSA-N 427.482 4.104 5 20 IIBD CCOC(=O)[C@H]1CCN(C(=O)c2sc(Br)cc2[N+](=O)[O-])c2ccccc21 485691346 CWUIICLDBWAYRZ-NSHDSACASA-N 439.287 4.116 5 20 IIBD C[C@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1nc(C2CCCCC2)no1 485904677 GMEPBOOFVAISLN-QMMMGPOBSA-N 429.296 4.341 5 20 IIBD Cc1nnc(Sc2ccc(NC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)c(C)c2)s1 488963997 YFPNAJIJZAIQGC-UHFFFAOYSA-N 430.467 4.195 5 20 IIBD COc1cc(CNc2ccc(NC(C)=O)c(Cl)c2)c([N+](=O)[O-])cc1OCC(F)F 490403859 UHMGEBHVXFDCJP-UHFFFAOYSA-N 429.807 4.471 5 20 IIBD Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)CC3 491482435 WHROHYDFSOCNLN-AWEZNQCLSA-N 442.313 4.363 5 20 IIBD Cc1cc(C)c(S(=O)(=O)N(C)CCCc2cc(-c3ccccc3)no2)cc1[N+](=O)[O-] 493084590 YMCSCYSUPMHDIN-UHFFFAOYSA-N 429.498 4.120 5 20 IIBD CCOC(=O)[C@H]1CCCc2sc(NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)nc21 493533596 CGRCCPKCHMEILG-FZMZJTMJSA-N 435.527 4.154 5 20 IIBD CC[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc2c(c1)OCCO2 494405943 NXEGJFCQVUGSPV-INIZCTEOSA-N 439.390 4.335 5 20 IIBD COc1ccc(I)c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 499118771 RTHYFQBZWCIDLZ-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD CC[C@H]1CCCCN1CCNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 499659220 NKGOBJGAVXXIQC-MJGOQNOKSA-N 425.533 4.157 5 20 IIBD C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 500841124 OVZBDMCDRKODQT-GDBMZVCRSA-N 437.418 4.101 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC(n4cc(Cl)cn4)CC3)cc2[N+](=O)[O-])C1 503164721 MIZQSQUMIFTQFJ-HOTGVXAUSA-N 445.951 4.404 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Oc2ccncc2)c(Cl)c1 505760667 WBCMHIMNESXVTG-CYBMUJFWSA-N 440.843 4.193 5 20 IIBD O=C(Nc1nnc2n1CCCC2)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 507887624 GIWSLDUPHURLGE-UHFFFAOYSA-N 426.864 4.040 5 20 IIBD Cc1nccn1-c1ccc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1F 509788396 QXHPCBGLVHVXIA-UHFFFAOYSA-N 425.464 4.348 5 20 IIBD COc1cc(C(=O)NCCc2cccc(Cl)c2)c([N+](=O)[O-])cc1OCc1cscn1 509886882 PYFJHHOOAIEWLC-UHFFFAOYSA-N 447.900 4.265 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)NCC2(c3ccc(OC)c(OC)c3)CCCCC2)c1 510609778 DOWZCMCMAFEPGC-UHFFFAOYSA-N 428.485 4.253 5 20 IIBD CC1CCN(c2ccc(CNC(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)cn2)CC1 510820074 HNOVTTAURBOZFF-UHFFFAOYSA-N 435.431 4.149 5 20 IIBD O=C(NC[C@@H]1CCCc2ccccc21)c1ccc([N+](=O)[O-])cc1I 511390642 JOLJSUMFJZMHSB-ZDUSSCGKSA-N 436.249 4.049 5 20 IIBD O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 512170516 SLIOSHRROZYDDN-CYBMUJFWSA-N 443.301 4.095 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1CC[C@H](COC(F)F)C1 512822201 FPJUKPWTYXAENQ-UGSOOPFHSA-N 439.846 4.489 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1[N+](=O)[O-] 514570800 PGSMIXBQIFDRIC-YCPHGPKFSA-N 430.423 4.463 5 20 IIBD CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)c1ccc(C(N)=O)cc1[N+](=O)[O-] 517963863 AUKXXMFIGUGKCN-UHFFFAOYSA-N 425.464 4.072 5 20 IIBD Cc1nc(-c2ccc([C@H](C)NC(=O)NCCOc3ccc([N+](=O)[O-])cc3)cc2)cs1 520999271 XBWNCUZPMFFOBW-AWEZNQCLSA-N 426.498 4.466 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 521491418 QSBJBMWLFHKHNT-QGZVFWFLSA-N 442.859 4.244 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 522963030 YCHOLULJDLLSSJ-HNNXBMFYSA-N 442.472 4.282 5 20 IIBD O=C(NCc1ccc(Oc2ccccc2)nc1)c1ccc([N+](=O)[O-])cc1Br 523506154 FHQCTQHANHMJJU-UHFFFAOYSA-N 428.242 4.475 5 20 IIBD CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCc1cccc([N+](=O)[O-])c1 524338497 AQFJEOCECATQQN-SFHVURJKSA-N 438.311 4.363 5 20 IIBD Cc1c(C(=O)N2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)sc2ccccc12 525468746 JBHNMCQPMFKONU-UHFFFAOYSA-N 443.912 4.370 5 20 IIBD CN(C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 532827451 QOBBZOXQJDEAHL-DLPLYFIVSA-N 443.450 4.309 5 20 IIBD Cc1cnc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c(Br)c1 533140359 VPVQSXMPUPBTLA-UHFFFAOYSA-N 429.068 4.004 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC2(CCN(Cc3ccccc3)C2)CC1 534220790 RWJRINCWWYLNLY-UHFFFAOYSA-N 425.554 4.202 5 20 IIBD C[C@@H](NC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl)c1ccccc1[N+](=O)[O-] 537044362 GTTORZPSMPTYRS-SNVBAGLBSA-N 431.802 4.134 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 537095211 OGTFJMQODILFIC-UHFFFAOYSA-N 445.516 4.269 5 20 IIBD Cc1cc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)nn1-c1cccc(Cl)c1 538499512 WKXSSEURLMOBKV-UHFFFAOYSA-N 428.832 4.156 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNC3CCN([C@H]4CCCC[C@@H]4O)CC3)o2)c(Cl)c1 539525266 GDOYVHIYNNXWMH-SFTDATJTSA-N 433.936 4.366 5 20 IIBD COc1ccc(I)c(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)c1 539912939 VJMAIXPISUDFDW-UHFFFAOYSA-N 440.237 4.386 5 20 IIBD C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCCOc1ncc(C(F)(F)F)cc1Cl 540189033 IPNMRISFXUDGBR-LLVKDONJSA-N 446.813 4.048 5 20 IIBD C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 542198149 RYRAGWUBQCJTPI-ZDUSSCGKSA-N 431.905 4.141 5 20 IIBD Cc1ccc(NC(=O)CSc2ccccc2[N+](=O)[O-])cc1NC(=O)CN1CCCCC1 542235896 UWBHPKYVEITRNP-UHFFFAOYSA-N 442.541 4.058 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CCO)c1ccccc1Br 543834636 DNKJPJBQMPPLRA-YVEFUNNKSA-N 439.331 4.078 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccccc3-n3nccc3C)cc2)c(C)c1[N+](=O)[O-] 544167851 IAALNCCRMGJSSD-UHFFFAOYSA-N 430.468 4.203 5 20 IIBD Cc1sc2nc(Cc3noc([C@@H](C)c4ccc([N+](=O)[O-])cc4F)n3)nc(O)c2c1C 545533271 QJDLGFGTARILMO-VIFPVBQESA-N 429.433 4.187 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)NC(=O)c3ccc(Br)s3)n2)cc1[N+](=O)[O-] 545571998 IZXNOHJOFBDQFU-SECBINFHSA-N 437.275 4.268 5 20 IIBD CCN(CC)CCOc1ccc(-c2noc(-c3cc(O)nc4ccc([N+](=O)[O-])cc34)n2)cc1 547028946 KZTABWPJJMLAEQ-UHFFFAOYSA-N 449.467 4.286 5 20 IIBD Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(-c3nc(Cc4ccc([N+](=O)[O-])cn4)no3)c12 547199999 ICIGELFPEDTNSN-UHFFFAOYSA-N 433.472 4.316 5 20 IIBD CC1(C)CN(Cc2ccccc2)CC[C@@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 548933092 MSXDARQZBWQAKC-FQEVSTJZSA-N 430.936 4.077 5 20 IIBD COc1cccc(-c2noc([C@@H](C)NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)n2)c1 551599446 SQJNIBVJXFEYFC-SNVBAGLBSA-N 436.346 4.163 5 20 IIBD CC1CCN(Cc2cccc(CN[C@H](c3ccc([N+](=O)[O-])cc3)c3nccn3C)c2)CC1 552245986 CLDYKOBSSXNYDE-XMMPIXPASA-N 433.556 4.439 5 20 IIBD COc1ccc(CSCc2nc(CC(=O)Nc3ccccc3Cl)no2)cc1[N+](=O)[O-] 554051995 WVXQSIHFNKYULP-UHFFFAOYSA-N 448.888 4.254 5 20 IIBD Cc1ccc(NC(=O)C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c(OCc2ccccc2)c1 559036979 COXZYBMQFWIHTQ-UHFFFAOYSA-N 447.491 4.122 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CC[C@H](C(F)(F)F)[C@@H](CO)C1 562214009 BZMXLACKBJUBME-ACJLOTCBSA-N 439.390 4.412 5 20 IIBD CC(=O)Nc1cc(NCc2cc(I)cc([N+](=O)[O-])c2)ccc1C 564415876 UIHADQFOOUEFRL-UHFFFAOYSA-N 425.226 4.078 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] 567098042 DOZJCWCNKVQNNF-NVXWUHKLSA-N 427.476 4.422 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F 573725913 DTRDPTUPRAILDV-QMMMGPOBSA-N 438.328 4.480 5 20 IIBD CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 575081474 WPAOLLHBWOYRPX-HXUWFJFHSA-N 430.508 4.251 5 20 IIBD O=C(c1cccs1)N1CCCC[C@@H]1c1nc(CCNc2ccccc2[N+](=O)[O-])no1 579525941 VXLVQCZEZTZJIF-MRXNPFEDSA-N 427.486 4.061 5 20 IIBD O=C(Nc1cccc(I)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 597898932 SHRCROIGBPEQSM-UHFFFAOYSA-N 437.237 4.052 5 20 IIBD CC1CCN(c2ccc(C(=O)NC[C@H](c3ccco3)N3CCCCC3)cc2[N+](=O)[O-])CC1 599075173 ZNICHEOQJUXLOK-JOCHJYFZSA-N 440.544 4.381 5 20 IIBD COc1cc(C(=O)N[C@H](C)Cn2cccn2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 603634141 GJFDJSBWZMVHEZ-CYBMUJFWSA-N 430.848 4.064 5 20 IIBD COc1cc([C@H](C)NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1OCC(C)C 603719718 VQYZVXBYVRJBJJ-ZDUSSCGKSA-N 449.891 4.108 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nc(C)c(C)o3)cc2)cc1OC 603940335 ABMDAURGLRFXRC-UHFFFAOYSA-N 441.440 4.153 5 20 IIBD COc1cc([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1OC(C)C 604030588 PXPPOEGKAZXEAW-LBPRGKRZSA-N 428.894 4.084 5 20 IIBD COc1ccc(CCN(Cc2ccccc2)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 608913306 SXMXWRBPUSHWCH-UHFFFAOYSA-N 440.521 4.178 5 20 IIBD CC(C)(C)OC(=O)C1CCN(c2c([N+](=O)[O-])cnc3ccc(Br)cc23)CC1 608974427 VJARCOKSSKRDSX-UHFFFAOYSA-N 436.306 4.464 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 608980337 ZTYJQROQFXNLBG-KRWDZBQOSA-N 445.324 4.226 5 20 IIBD C[C@@H](NC(=O)N1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1)c1cccc([N+](=O)[O-])c1 609640266 IQBOOWVPDZLHJV-CVEARBPZSA-N 443.479 4.038 5 20 IIBD O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 609874247 VZDOUMLZBJSOKQ-UHFFFAOYSA-N 442.686 4.153 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCc1ccc(N2CCCCCC2)nc1 610099980 GVEFQCUQFPRRSK-UHFFFAOYSA-N 425.533 4.192 5 20 IIBD C[C@H]1c2ccsc2CCN1c1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] 610350276 NDIFKOHHHUDQDW-HNNXBMFYSA-N 435.571 4.345 5 20 IIBD COC(C)(C)CNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 610403914 GPVNWHGXPKDQLK-UHFFFAOYSA-N 425.844 4.404 5 20 IIBD O=C(C1CCCC1)N1CC[C@@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 610771703 WRHHVYHHAACVDY-LJQANCHMSA-N 427.476 4.407 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1cccc(Sc2ccccc2)c1 619839393 ZMKLUPLNFDJOER-UHFFFAOYSA-N 435.505 4.386 5 20 IIBD C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 727205628 XJPYOEPALJWWEG-LLVKDONJSA-N 437.330 4.174 5 20 IIBD C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 727219213 QOUJMHGGJAWXMG-SNVBAGLBSA-N 438.223 4.462 5 20 IIBD COc1ccc([C@@H](C)OC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1Cl 728773949 WQGPCZVNJKJWED-GFCCVEGCSA-N 434.832 4.249 5 20 IIBD CCOc1ccc(N(CC)C(=O)c2ccc(I)c([N+](=O)[O-])c2)cc1 730471375 PUXHOJHDSBUFRH-UHFFFAOYSA-N 440.237 4.265 5 20 IIBD C[C@@H](Sc1ncccc1C(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCCC1 735901220 PPWSNTPFEAJSGK-CYBMUJFWSA-N 449.916 4.103 5 20 IIBD CN1C(=O)CC[C@H](COC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H]1c1cccc(Cl)c1 740603677 KHJPEIOINIFGLG-VFNWGFHPSA-N 441.871 4.496 5 20 IIBD COCC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1F 741174965 ATQLAFZXFBRJAV-ZDUSSCGKSA-N 425.254 4.330 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F 741518429 SCSDKCWEOZGOMH-SJORKVTESA-N 442.422 4.464 5 20 IIBD Cc1c(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 741589758 UVBUHJBCKJXXJD-CQSZACIVSA-N 432.864 4.172 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)c1nc(-c2cccc(F)c2)no1 744379188 TUSNZDDSRIRIQA-VIFPVBQESA-N 435.209 4.037 5 20 IIBD COc1ccc(OCCOC(=O)Cc2csc(-c3cccc(C)c3)n2)c([N+](=O)[O-])c1 744584067 TWYOWFFYYPDUGR-UHFFFAOYSA-N 428.466 4.200 5 20 IIBD Cc1sc(=O)n(CC(=O)OCc2cc(Cl)ccc2[N+](=O)[O-])c1-c1ccc(F)cc1 746069723 WUYBXAHTGLFQOR-UHFFFAOYSA-N 436.848 4.329 5 20 IIBD CC(=O)c1ccc(N2CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC2)c(F)c1 746271702 MVKZURHNALOEES-UHFFFAOYSA-N 427.476 4.196 5 20 IIBD CCC[C@H]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)sc2C1 748680683 NPGVABXOQJSTBH-AWEZNQCLSA-N 430.530 4.045 5 20 IIBD COc1cc(CN2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC(F)F 749511330 ODOXQRQZEUODOB-AEFFLSMTSA-N 440.418 4.432 5 20 IIBD C[C@H](O)C[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1ccccc1 750904011 BXSDNCWDYMPMGZ-AAEUAGOBSA-N 441.709 4.295 5 20 IIBD Cc1cc(F)cc(C(=O)OCc2nc(-c3cccc(C(F)(F)F)c3)no2)c1[N+](=O)[O-] 752557113 GBZWTBNBKFBUHR-UHFFFAOYSA-N 425.294 4.468 5 20 IIBD C[C@H](OC(=O)c1c(F)ccc([N+](=O)[O-])c1F)C(=O)N[C@@H](C)c1ccc2ccccc2c1 752557600 BXUAVFLVBWUPMY-STQMWFEESA-N 428.391 4.449 5 20 IIBD CC(C)c1c(NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cnn1-c1ccccc1 753973820 JFXHKGZGNOUZJX-UHFFFAOYSA-N 427.848 4.135 5 20 IIBD CC(C)[C@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1ccc(F)cc1 754981316 BZBVBTIZGWVDRK-SFHVURJKSA-N 426.803 4.197 5 20 IIBD COc1ccc2[nH]cc(CCNC(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)c2c1 755024320 MMOUGMYHZWXDES-UHFFFAOYSA-N 433.262 4.211 5 20 IIBD C[C@@H](OC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccc(N2CCCCC2)cc1 755066719 GPFDSXFIKXUOSB-HZPDHXFCSA-N 443.475 4.398 5 20 IIBD COc1ccc(CN(C)C(=O)[C@@H](OC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C(C)C)cc1 755069950 ZHNLJUPSXIUVCV-BTYIYWSLSA-N 446.475 4.072 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1ccc(-c2ccccc2)cc1F 757273879 ZNOKREILXBCMGI-UHFFFAOYSA-N 427.819 4.309 5 20 IIBD Cc1cc(F)cc(C(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c1[N+](=O)[O-] 758488213 LYGFJKYAJTYEDH-UHFFFAOYSA-N 437.830 4.326 5 20 IIBD C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)COC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 758730541 IMRNGMRHYGCVDY-ZDUSSCGKSA-N 429.860 4.035 5 20 IIBD COc1ccc2c(c1)CN(Cn1cc(Br)c([N+](=O)[O-])n1)[C@@H](c1ccccc1)C2 759150586 ZHOSQVWIEVQHQR-LJQANCHMSA-N 443.301 4.320 5 20 IIBD C[C@@](CO)(NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C1CC1 759536506 SPWLDINXTQJIHC-RUCLTWSYSA-N 437.521 4.412 5 20 IIBD Cc1nn(C)c(C)c1[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(F)(F)F 760783036 XQIQCHKVNIVACA-QFIPXVFZSA-N 443.425 4.352 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])n1C)C(=O)Nc1ccccc1Sc1ccccc1 761054632 PKAAQLPHNMOFLP-CQSZACIVSA-N 425.466 4.269 5 20 IIBD Cc1ccccc1-c1nc(COC(=O)Cc2ccc([N+](=O)[O-])cc2Br)no1 761195538 OBRINCFMVNLEBN-UHFFFAOYSA-N 432.230 4.002 5 20 IIBD Cn1ccc([C@H](NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccc(Cl)cc2)n1 762781224 QSIUXKXWLPMAAV-JOCHJYFZSA-N 425.920 4.330 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1c1noc(-c2cc(Br)cc([N+](=O)[O-])c2)n1 763349870 SMJIZKVMPCWPEB-ZDUSSCGKSA-N 439.266 4.479 5 20 IIBD COc1cc([C@@H](C)NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)ccc1OCc1ccncc1 763425786 ODJMFGTZQKCJEJ-CYBMUJFWSA-N 443.406 4.347 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc2cc(C(F)(F)F)ccc2n1C 764537617 YLBQKMKXQRMAFV-VIFPVBQESA-N 438.318 4.327 5 20 IIBD O=C(OCc1sc2ccccc2c1Cl)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 766373175 HNXFRGRYJHGFTD-UHFFFAOYSA-N 444.852 4.473 5 20 IIBD COc1ccc(CSCC(=O)OCc2nnc(-c3ccccc3)s2)cc1[N+](=O)[O-] 766685419 MZTMYILWGDRFLE-UHFFFAOYSA-N 431.495 4.099 5 20 IIBD CC[C@@H]1CCCC[C@H]1OCC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 766811152 ONCSBVLMAYEKLN-MLGOLLRUSA-N 432.395 4.081 5 20 IIBD O=C(OCc1nc(-c2ccc(F)c(F)c2)no1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 768018425 SPJLULIGOXXGEO-UHFFFAOYSA-N 444.375 4.404 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)cc1OC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 770217818 QOPAUJBMVPGLQE-UHFFFAOYSA-N 439.428 4.050 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCOC[C@@H]1C[C@@H](O)c1cccs1 771767098 VYOBOUBZIOQKEM-SWLSCSKDSA-N 445.419 4.032 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2ccc(NC=O)cc2)c2ccccc2)c([N+](=O)[O-])c1 771805865 GORDOTSBXCQEIE-OAQYLSRUSA-N 433.420 4.008 5 20 IIBD O=C(COC(=O)c1sc(Br)cc1[N+](=O)[O-])Nc1ccc(F)c(Cl)c1 773603648 GUGAVFQSCKCJBP-UHFFFAOYSA-N 437.630 4.007 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccccc1COC(C)(C)C 773704638 YKLXNGQQHWLWRR-CQSZACIVSA-N 430.457 4.103 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1cccc(OC(F)(F)F)c1 775552070 DNQRPLAEPICXBE-LBPRGKRZSA-N 427.379 4.181 5 20 IIBD O=C(OCc1ccc(OCC(F)(F)F)nc1)c1ccc([N+](=O)[O-])cc1Br 776402449 WPPDKQWBABZQRV-UHFFFAOYSA-N 435.152 4.050 5 20 IIBD COc1ccc(C)cc1-c1csc(NC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)n1 777792873 ZKUCYGUXUIVNTM-UHFFFAOYSA-N 427.467 4.292 5 20 IIBD CC(C)(C)OC(=O)N1CCC(N(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C2CC2)CC1 777956491 MFJJMBVNYZDVAQ-UHFFFAOYSA-N 441.532 4.280 5 20 IIBD O=C(O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)c1cnc(Cc2ccccc2F)s1 778782018 AZTFTOPDMJGWMS-KRWDZBQOSA-N 427.457 4.217 5 20 IIBD CC(C)(C)OC(=O)N1Cc2ccc(CNC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2C1 781082529 XFKIXFXXMWPPOA-UHFFFAOYSA-N 431.876 4.429 5 20 IIBD COc1ccc(C)cc1[C@H](C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 781630060 VAJSFLWZZJTWOA-JXFKEZNVSA-N 426.469 4.129 5 20 IIBD C[C@H]1CCc2ccccc2N1C(=O)[C@@H](C)OC(=O)c1cccc([N+](=O)[O-])c1Br 781673900 XWHGVOGGSVVOPZ-QWHCGFSZSA-N 447.285 4.271 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])O[C@@H](c1ccncc1)c1ccc(F)cc1 781799364 CSNMQXMSVZUTSL-OAQYLSRUSA-N 425.372 4.303 5 20 IIBD CC(=O)c1cccc(NC(=O)COC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 787248175 RACGPSRGXRWXOK-UHFFFAOYSA-N 448.431 4.172 5 20 IIBD COc1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])c(F)c3)n2C[C@@H]2CCCO2)cc1 787488070 ONZWKDNGAQAGOK-KRWDZBQOSA-N 444.488 4.472 5 20 IIBD O=C(Nc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cc1)C1CC1 791430516 BHZQZJNRGDBJNE-UHFFFAOYSA-N 430.269 4.051 5 20 IIBD C[C@@H]1[C@@H](c2ccccc2)CCN1CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O 795434594 DNNDDMWDYCAYPG-CJNGLKHVSA-N 430.302 4.149 5 20 IIBD O=C(c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O)N1CCC[C@H]1c1cccc(F)c1 798163906 OJQQTGBSXOJUJI-HNNXBMFYSA-N 430.823 4.256 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)OCc1nc(-c2ccccn2)cs1 800343175 FVDXYDHCDPNOHV-UHFFFAOYSA-N 434.271 4.162 5 20 IIBD Cc1c(C(=O)OCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)oc2ccc(Br)cc12 800640912 ZDBZERIEGKXRAY-UHFFFAOYSA-N 447.241 4.232 5 20 IIBD Cc1ccc(C2=NO[C@H](CNC(=O)Cn3c4ccccc4c(=O)c4ccccc43)C2)cc1C 801390629 JXJXGPROQBTDDH-FQEVSTJZSA-N 439.515 4.081 5 20 IIBD O=C(CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)OC1CCCCC1 801554630 LULVIOYKTDBNRX-UHFFFAOYSA-N 433.686 4.007 5 20 IIBD CCCCC[C@](C)(CC)c1nc(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)no1 809464145 AMVDGBUTTVIYNJ-NRFANRHFSA-N 432.477 4.178 5 20 IIBD Cc1ccc(NC(=O)N2CCC([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1[N+](=O)[O-] 810142101 SXXCZCJPQQBDMZ-KRWDZBQOSA-N 432.521 4.404 5 20 IIBD O=C(COC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])Nc1ccc(Cl)cc1[N+](=O)[O-] 811374777 PBBYFDIVXVJFFZ-UHFFFAOYSA-N 448.602 4.259 5 20 IIBD C[C@@H](OC(=O)c1nn(-c2ccccc2)c2c1CCC2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 812858630 BPYRGHBSBLSKMY-CQSZACIVSA-N 445.435 4.237 5 20 IIBD Cc1c(CNC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)cccc1[N+](=O)[O-] 813734141 QVRJYUGCHOQIPT-QGZVFWFLSA-N 432.521 4.025 5 20 IIBD C[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 841974892 JCQAGNOBCFJPFI-SHUHUVMISA-N 446.547 4.027 5 20 IIBD O=C(OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(-c2nc3ccccc3s2)o1 853829725 OXHZMJDBBLPACK-UHFFFAOYSA-N 449.444 4.211 5 20 IIBD C[C@H]1CCc2c(sc3ncn(Cc4c(Br)cccc4[N+](=O)[O-])c(=O)c23)C1 915668610 XHAZNDXHLCDWJJ-JTQLQIEISA-N 434.315 4.302 5 20 IIBD COc1cc([C@H](C)NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)ccc1OC1CCCC1 916074631 PYLPLSXMRUZZJZ-HNNXBMFYSA-N 438.484 4.152 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 916375191 MZOXSDVYZVWDFJ-HXUWFJFHSA-N 439.374 4.068 5 20 IIBD CN(C(=O)c1ccc2[nH]c3c(c2c1)CCCC3)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 916990125 GTAHHQOXJNDSKA-UHFFFAOYSA-N 447.900 4.069 5 20 IIBD Cc1c(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 917778714 IXUJSLWRVJYPOC-CYBMUJFWSA-N 426.429 4.078 5 20 IIBD COc1ccc(C2=N/C(=C/c3ccc(-n4cnc5ccccc54)cc3)C(=O)O2)cc1[N+](=O)[O-] 918062625 WXZZHYHIYAUIKR-XDHOZWIPSA-N 440.415 4.287 5 20 IIBD CCOC(=O)c1c(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)sc2ccccc12 918597456 FHYOLJUNPMUTSI-UHFFFAOYSA-N 436.449 4.424 5 20 IIBD COC(=O)c1cc(Oc2ccccc2)ccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 920232410 QVOZYSYIZZQXKR-UHFFFAOYSA-N 437.364 4.334 5 20 IIBD O=C(NCc1ccc(-n2ccnc2)cc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 921204346 OKBNIMRLOFWAME-UHFFFAOYSA-N 427.464 4.323 5 20 IIBD CC(C)CC(=O)N1CCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 1116079631 MBGAAQDBIVLFRC-UHFFFAOYSA-N 426.473 4.109 5 20 IIBD CS(=O)(=O)N1CCc2c(NCc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)cccc21 1320138415 JINMYNMEYPUNJM-UHFFFAOYSA-N 447.900 4.442 5 20 IIBD CCN(CC)c1ccc(-c2nn(CN3Cc4ccc([N+](=O)[O-])cc4C3)c(=S)n2C)cc1 1322140080 CTYSHEYPXOXIQN-UHFFFAOYSA-N 438.557 4.346 5 20 IIBD O=[N+]([O-])c1cccc(-n2cc(-c3nnc(COc4ccccc4-c4ccccc4)o3)nn2)c1 1322273317 LIXUEXQYUAGFIV-UHFFFAOYSA-N 440.419 4.472 5 20 IIBD CCOc1ccc(O[C@H](C)c2nnc([C@H](CC)Nc3c([N+](=O)[O-])c(C)nn3C)o2)cc1 1322341827 OPPVELBLLOJOBB-CJNGLKHVSA-N 430.465 4.122 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCc1nnc(CCCOc2ccc(Cl)cc2Cl)o1 1323903342 OQFLYDRDQAUAJY-UHFFFAOYSA-N 426.260 4.044 5 20 IIBD Cc1sc2nc(CS[C@@H](C)C(=O)N3Cc4ccc([N+](=O)[O-])cc4C3)nc(O)c2c1C 1339546846 XPXMKNNBHQTBRN-LBPRGKRZSA-N 444.538 4.086 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)c3cnccc3F)CCC2)cc1 1785792678 WFNFPOPQYUWZIU-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD Cc1cncc(C(=O)NC2(c3ccc(NC(=O)c4ccc(O)c([N+](=O)[O-])c4)cc3)CCC2)c1 1790619267 ZZPGAJDDYLULIS-UHFFFAOYSA-N 446.463 4.065 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1)c1cc2ccoc2cn1 1790832769 YQPGRTLKHFXMIR-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD O=C(C1CCCCC1)N1CCC([C@@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1823679622 HGWNTNOZULSEOO-QHCPKHFHSA-N 441.572 4.337 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccc(Cl)nc2)c2ccccc2)c([N+](=O)[O-])c1 10804855 WRDJFLFSLYLFPN-IBGZPJMESA-N 425.828 4.488 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(-c2ccc(C)c(C)c2)o1 10842434 BTLSXIQVKZLFNJ-ZDUSSCGKSA-N 428.470 4.390 5 20 IIBD CCCNC(=O)[C@@H](C)OC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 16941319 YNESQWUIPZTRBN-GFCCVEGCSA-N 436.848 4.121 5 20 IIBD COC(=O)c1ccc(OCc2csc(N(C(C)=O)c3ccccc3F)n2)c([N+](=O)[O-])c1 26270763 QZJFDYSGIVBTTI-UHFFFAOYSA-N 445.428 4.241 5 20 IIBD NC(=O)c1ccc(SCC(=O)Nc2ccccc2SCC(F)(F)F)c([N+](=O)[O-])c1 45793415 UYQCKHZIRXKGHC-UHFFFAOYSA-N 445.444 4.079 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C(=O)CCC2CCCCC2)CC1 59808763 UEYKWODIJIVZIW-KRWDZBQOSA-N 433.574 4.107 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N(C[C@@H]1CCOC1)C1CC1 63089174 NECUVSMJXHNIFE-SFHVURJKSA-N 446.507 4.018 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)cc1SC 97548866 RMCKHMLPSOHCNH-IBGZPJMESA-N 429.542 4.201 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccn(Cc3ccccn3)n2)cc1[N+](=O)[O-])c1ccccn1 109750951 UCHULBINRVSVRB-INIZCTEOSA-N 443.467 4.055 5 20 IIBD CNS(=O)(=O)c1cccc([C@H](C)NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1 237401491 DZFFDDYPLCXKAK-AWEZNQCLSA-N 431.539 4.082 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CN(C)c1ccc2cc([N+](=O)[O-])ccc2n1 301088649 KWADVZKCCZYWLO-UHFFFAOYSA-N 429.274 4.289 5 20 IIBD Cc1csc([C@@H](Nc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])C2CC2)n1 301418244 BHPCKPTUPLRBJY-SFHVURJKSA-N 436.559 4.098 5 20 IIBD CCc1cc(N2CCC(Nc3cc(CC)nc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)ncn1 301489603 LJYVIBPDMAWISI-UHFFFAOYSA-N 433.516 4.048 5 20 IIBD COc1cc(CNc2c(Br)cncc2[N+](=O)[O-])cc(Br)c1OC 301902384 WIUFJBWMDQLYNU-UHFFFAOYSA-N 447.083 4.144 5 20 IIBD CCOC(=O)c1c(C)[nH]c(C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)c1C 302918577 CBVNEMFCBRHQRY-UHFFFAOYSA-N 428.470 4.401 5 20 IIBD O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 409925459 RMASGRHGUSOVLL-CYBMUJFWSA-N 443.301 4.095 5 20 IIBD CC1(C)CCC[C@@H]1N(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 427157510 KIVICVBTWXFTMD-FQEVSTJZSA-N 430.526 4.219 5 20 IIBD COc1ccc(CSCC(=O)NCc2nc(-c3ccccc3F)cs2)cc1[N+](=O)[O-] 428555104 WUKDIZOTVDGTLA-UHFFFAOYSA-N 447.513 4.416 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(-c3nc(CC)no3)ccc2C)cc1OC 430436980 FFWFSGVHKFEFOU-UHFFFAOYSA-N 426.429 4.175 5 20 IIBD Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] 432661696 XMQXAFITUPOQSK-UHFFFAOYSA-N 438.406 4.252 5 20 IIBD C[C@H](NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(OCc2ccccc2)c1 434192238 WJPXKDSEMSUDEU-ZWKOTPCHSA-N 447.491 4.170 5 20 IIBD O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 435937031 NTRKKSSNBITXEG-MRXNPFEDSA-N 443.478 4.311 5 20 IIBD COc1cc(CN[C@H]2CCOc3ccc(F)cc32)c([N+](=O)[O-])cc1OCC(F)(F)F 436398540 GBEDBHJURZZIIE-AWEZNQCLSA-N 430.354 4.297 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 436970059 KNANKUJGFNTFGS-ZDUSSCGKSA-N 428.832 4.024 5 20 IIBD CC(=O)c1ccc(OCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c([N+](=O)[O-])c1 440862936 VRGBQEPPWSGOMS-UHFFFAOYSA-N 439.449 4.129 5 20 IIBD CCCCOCCN(C(=O)c1n[nH]c(CC)c1[N+](=O)[O-])c1ccc(Br)cc1 444246865 MJQZVZLIUQNRPP-UHFFFAOYSA-N 439.310 4.106 5 20 IIBD COC(=O)[C@H](C)Cc1ccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1 444309091 FJJPZBDDWJQASB-CQSZACIVSA-N 432.451 4.424 5 20 IIBD Cc1cc(-c2cc(-c3nc(-c4c([N+](=O)[O-])ncn4C)no3)c3c(C)noc3n2)c(C)s1 445573336 GQISMCXFRILCDR-UHFFFAOYSA-N 437.441 4.235 5 20 IIBD COc1ccccc1CN(Cc1cccs1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C 446530597 IRKNCWALSRQCCG-UHFFFAOYSA-N 439.493 4.141 5 20 IIBD O=C(NC1CC1)c1cccc(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])c1 447677273 SXAIBECRHYPUMR-UHFFFAOYSA-N 430.333 4.148 5 20 IIBD COc1cc(OCC(=O)NCc2ccc(Oc3ccccc3F)c(F)c2)ccc1[N+](=O)[O-] 460648592 LWZJVQAYQNSCCL-UHFFFAOYSA-N 444.390 4.369 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3nc4cc(Cl)ccn4n3)cc2[N+](=O)[O-])C1 464650978 PKKDJFHVZWLSSQ-STQMWFEESA-N 428.880 4.026 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCOC[C@H]2c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 464715385 XWYHWDMSWGHIKQ-HXOBKFHXSA-N 432.480 4.377 5 20 IIBD O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 465308801 SNHXCBBFCWGFKS-LVNJIZSUSA-N 427.888 4.110 5 20 IIBD Cc1csc([C@@H](NC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C2CC2)n1 465635035 OGSVBNYEBKBDBT-HNNXBMFYSA-N 443.451 4.241 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 466503488 MTFWOUOMKGBECF-UHFFFAOYSA-N 447.447 4.162 5 20 IIBD COC(=O)c1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3n2C(C)C)cc([N+](=O)[O-])c1 467500749 GAPLLAJTKNEBJX-HXUWFJFHSA-N 436.468 4.289 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)S(=O)(=O)c1ccccc1C(F)(F)F 468489138 UWTTYAZAAMVQBM-VIFPVBQESA-N 436.795 4.068 5 20 IIBD CCc1ccc([C@H](NCc2nc(COc3ccccc3)n[nH]2)c2ccc([N+](=O)[O-])cc2)o1 471586676 DKHFEENRLBRDDJ-HSZRJFAPSA-N 433.468 4.327 5 20 IIBD Cn1cc(CCNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c2ccc(F)cc21 471697171 MKHIXLRXMMIHOH-UHFFFAOYSA-N 427.479 4.144 5 20 IIBD O=C(c1cc(F)c(F)cc1I)N1CCCc2ccc([N+](=O)[O-])cc21 471778690 FSMPAIMQJIAFHI-UHFFFAOYSA-N 444.175 4.071 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@H](C)c3n[nH]c(C(C)C)n3)cc2[N+](=O)[O-])n1 477292234 BKWBBTIRMYBZSW-LLVKDONJSA-N 432.531 4.243 5 20 IIBD Cc1ccc(-c2ccc(Cl)cc2NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)o1 477891697 CZIWMFWWEFYOBE-UHFFFAOYSA-N 441.827 4.181 5 20 IIBD CC(C)(C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)C(F)(F)F 479304146 COURPQGDBKLXCU-LLVKDONJSA-N 444.191 4.296 5 20 IIBD CC[C@@H](NCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 481312957 XIVRBELGHXFXRQ-VGOFRKELSA-N 431.558 4.256 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@H](COc2ccccc2Cl)C1 482069357 QPPYZJBZHXUJHR-INIZCTEOSA-N 440.887 4.365 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@@H](c3ccccc3)c3cccnc3)cc2)c(C)c1[N+](=O)[O-] 485504525 MEBSSCAZALWXGM-QHCPKHFHSA-N 441.491 4.371 5 20 IIBD CCCNC(=O)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 486667423 XUNZIDMOZPORSJ-INIZCTEOSA-N 427.526 4.124 5 20 IIBD CCn1c(SCC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nc2ccccc21 486742162 YEIWOPNIOCJRIF-UHFFFAOYSA-N 438.431 4.392 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCC(CCN3CCCC[C@@H]3C)CC2)c(C)c([N+](=O)[O-])c1 486857450 LSGLSJAVQRXGKC-INIZCTEOSA-N 446.548 4.198 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@@H](C)c2cccc(N3CCCC3)c2)c(C)c([N+](=O)[O-])c1 486864958 JPZZBXYGLDPTKJ-HNNXBMFYSA-N 426.473 4.173 5 20 IIBD COc1cc(-c2noc(COc3ccc([N+](=O)[O-])c4ccccc34)n2)cc(OC)c1OC 486913748 TZZFOTDIJFKJIS-UHFFFAOYSA-N 437.408 4.403 5 20 IIBD CC(C)(C)Oc1cc(N2CCCN(C(=O)CCc3ccccc3)CC2)ccc1[N+](=O)[O-] 487142646 OOUMCFXNAKHNMD-UHFFFAOYSA-N 425.529 4.444 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCO[C@H](COCC2CC2)C1 487321686 PNKHWMAREVQEQR-IBGZPJMESA-N 446.887 4.308 5 20 IIBD COc1ccc(CCN(Cc2ccsc2)C(=O)c2cccc([N+](=O)[O-])c2N)cc1OC 488295385 MCMPFTDZYMBJOG-UHFFFAOYSA-N 441.509 4.141 5 20 IIBD O=C(c1cc(F)ccc1F)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 488470627 QZSOUPKHTVPYLD-UHFFFAOYSA-N 440.349 4.210 5 20 IIBD C[C@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(OCc2ccc(F)cc2)cc1 488696358 FNAZURKJBAZDOF-INIZCTEOSA-N 444.484 4.494 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1noc(-c2ccc(Cl)cc2)n1 489597164 QMRPFAIHVQOZHC-VIFPVBQESA-N 438.774 4.391 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 491031558 YVZGUUAJDWKDMG-UHFFFAOYSA-N 434.496 4.010 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 494778121 FNKMPSDEDQHJPF-CQSZACIVSA-N 442.859 4.102 5 20 IIBD CCNC(=O)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc2ccccc12 496931190 AIPFVVFXFURURA-UHFFFAOYSA-N 432.358 4.164 5 20 IIBD O=[N+]([O-])c1ccccc1-c1ccc(CN2CCOC[C@H]2c2noc(-c3ccccc3)n2)o1 501740206 FZRNVJBBAQCJOV-FQEVSTJZSA-N 432.436 4.478 5 20 IIBD COc1cc(CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])cc(Br)c1OC 501740608 AKYDBBFTSBOWGE-UHFFFAOYSA-N 441.303 4.026 5 20 IIBD Cc1cnc(O)n1-c1ccc([C@H](C)NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 501858608 VIVJSZHYUYPHAU-LSDHHAIUSA-N 426.498 4.153 5 20 IIBD CN(C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)[C@H](CCO)c1ccccc1 503601207 LJJPKAURZVLOGG-GOSISDBHSA-N 449.294 4.283 5 20 IIBD COc1ccc(Br)cc1[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(OC)c1 504971735 WFHLDPJSCJEDSR-OAHLLOKOSA-N 435.274 4.352 5 20 IIBD O=C(CC[S@@](=O)Cc1coc(-c2cccc(Cl)c2)n1)Nc1ccccc1[N+](=O)[O-] 507703833 DHFJZBFTVDRCBG-GDLZYMKVSA-N 433.873 4.181 5 20 IIBD O=C(NCc1ccccc1Cn1cncn1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 507823909 XONBVLRPZFZMCH-UHFFFAOYSA-N 445.504 4.316 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](c1cccc(F)c1)c1nccn1C 509386836 KQDZNRXOCGTNFT-FQEVSTJZSA-N 425.464 4.177 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CCOc2c(-c3ccccc3)cccc21 509744253 FGVDTBCRYFPGDC-GOSISDBHSA-N 428.441 4.203 5 20 IIBD O=C(NCCNc1cnccn1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 510779817 LTGINXNIYOFLPB-UHFFFAOYSA-N 429.889 4.031 5 20 IIBD CCOc1cc(C(=O)N(c2ccc(Br)cn2)C(C)C)c([N+](=O)[O-])cc1OC 511080729 HQGIHLRJKDDWPE-UHFFFAOYSA-N 438.278 4.215 5 20 IIBD O=C(N[C@@H]1CCc2n[nH]cc2C1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 511903289 AAERSAMNKIZDQN-CQSZACIVSA-N 428.901 4.410 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 513015590 XSWRXCHLTUXLGY-UHFFFAOYSA-N 425.876 4.021 5 20 IIBD CC(C)c1ccc(CNCc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)cc1[N+](=O)[O-] 513131205 DHOXJHPKLDCJFT-SFHVURJKSA-N 445.585 4.429 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(N4CCCC4=O)cc3)cc2[N+](=O)[O-])C1 513829126 WRLAOJMNCWKBPS-IAGOWNOFSA-N 436.512 4.456 5 20 IIBD COc1cccc(-c2nc(/C=C3/CCn4c3nc3ccc([N+](=O)[O-])cc3c4=O)cs2)c1 514645884 OWWMRAFJSCLCPV-LCYFTJDESA-N 432.461 4.381 5 20 IIBD O=C(c1ccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1)N1CCCCCC1 516341915 FHVJIKNKFBUSGM-UHFFFAOYSA-N 437.905 4.065 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3cnc4n[nH]c(C)c4c3)cc2[N+](=O)[O-])n1 517811198 PPLDTHTUQZCIJE-UHFFFAOYSA-N 426.483 4.343 5 20 IIBD C[C@H](COc1cccc(F)c1)NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 518316940 ONRDLGMOWQDEHR-LLVKDONJSA-N 432.395 4.429 5 20 IIBD COc1ccc(CC(=O)Nc2ccc(OCc3cn4ccccc4n3)cc2)cc1[N+](=O)[O-] 520681957 IOCKSKVAWJNFCT-UHFFFAOYSA-N 432.436 4.011 5 20 IIBD Cc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)Cn2cc([N+](=O)[O-])nc2C)c(C)c1 520966785 BPMUBLTZTLWHMO-UHFFFAOYSA-N 430.468 4.208 5 20 IIBD O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N(Cc1cccnc1)c1ccc(Cl)cc1 521337764 GZMLIWVFRZQXNY-UHFFFAOYSA-N 434.843 4.071 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCc3cccc(-n4ccnc4)c3)cc2[N+](=O)[O-])C1 522357134 WJIAZOJPVHSJHE-ROUUACIJSA-N 433.512 4.193 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N(Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@H](C)[C@H]1C 523414890 OKAKGVSHPUGTHW-FRQCXROJSA-N 442.516 4.072 5 20 IIBD Cc1cccc(C)c1NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 530885300 LOGSIYWTEZURCI-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cc(F)ccc2OCC(F)(F)F)cc([N+](=O)[O-])c1 530976216 RUMYWVOPYNFFGT-UHFFFAOYSA-N 430.310 4.104 5 20 IIBD O=[N+]([O-])c1cc(CNC2CCN([C@H]3CCCC[C@H]3O)CC2)ccc1Oc1ccc(F)cc1 531759130 GBLGWUHWADWQBO-JTHBVZDNSA-N 443.519 4.384 5 20 IIBD O=C(CN1CCN(c2cccc([N+](=O)[O-])c2)CC1)Nc1ccc(Cl)cc1C(F)(F)F 533242759 NCIGMRIOMOMASO-UHFFFAOYSA-N 442.825 4.028 5 20 IIBD COc1cccc(COc2cccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])c2C)c1 534401504 JNQSNWSEXDSSHX-UHFFFAOYSA-N 428.466 4.292 5 20 IIBD Cc1c(NC(=O)CCN2CCC3(CC2)CCN(Cc2ccccc2)C3)cccc1[N+](=O)[O-] 534966448 VBJCGWKBSJHJEC-UHFFFAOYSA-N 436.556 4.220 5 20 IIBD COC(=O)c1cc(NC(=O)c2[nH]c(-c3cccc(C(F)(F)F)c3)nc2C)cc([N+](=O)[O-])c1 535289552 OUSVJIOEJSNYEV-UHFFFAOYSA-N 448.357 4.351 5 20 IIBD O=C(Cc1cccc(OCc2cccnc2)c1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 537742858 IQWYDKWLMUTMSR-UHFFFAOYSA-N 429.379 4.351 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC=C(c2ccc3c(c2)OCCO3)CC1 537765464 TUFYYTXVYFUACA-UHFFFAOYSA-N 434.370 4.314 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)[C@H]1CCC(=O)C[C@@H]1C 538448254 LDQWLIBZBOKWMC-LRDDRELGSA-N 430.482 4.444 5 20 IIBD Cc1cccc(C2=CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)c1 538880526 JKJVWTUSKLBDAA-QHCPKHFHSA-N 433.508 4.132 5 20 IIBD COc1ccc(-c2csc(NC(=O)[C@@H](C)N[C@H](C)c3cccc([N+](=O)[O-])c3)n2)cc1 540379920 KJNKEFDCIRCACE-ZIAGYGMSSA-N 426.498 4.405 5 20 IIBD COc1ccc(NC(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)cc1[N+](=O)[O-] 543887897 MSGGDLFFSOOKQO-HNNXBMFYSA-N 428.493 4.181 5 20 IIBD CC(=O)Nc1ccc(F)c(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)c1 545008355 YBJAQQXJGNJSQF-UHFFFAOYSA-N 435.209 4.096 5 20 IIBD Cc1ccc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c(OC[C@H]2CCCO2)c1 545122567 UBHDGJOQRQUPKJ-GOSISDBHSA-N 430.476 4.194 5 20 IIBD C[C@H](NC(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 546224088 YOHGWIFSVKOHHI-HNNXBMFYSA-N 440.481 4.278 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc(N3CCOCC3)cc2)no1 546412659 GVQZQCKOIFORBT-CYBMUJFWSA-N 430.848 4.275 5 20 IIBD O=[N+]([O-])c1cccc(Oc2ccc(-c3noc(Cn4cc(Br)cn4)n3)cc2)c1 546493119 FZTKAVMCBQTIML-UHFFFAOYSA-N 442.229 4.444 5 20 IIBD C[C@H](NC1(Cc2ccc(F)cc2)CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 550191038 WKDQOPZXRNUNIE-AWEZNQCLSA-N 435.883 4.096 5 20 IIBD Cc1c(CNC(=O)C(=O)N[C@@H](C)c2ccccc2Oc2ccccc2)cccc1[N+](=O)[O-] 553013961 ZZGBSDDFBKLPJB-KRWDZBQOSA-N 433.464 4.189 5 20 IIBD CC(C)(C(=O)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1)c1ccccc1[N+](=O)[O-] 556316748 KIHYDNFHAHMNKE-UHFFFAOYSA-N 449.551 4.302 5 20 IIBD Cn1ccnc1[C@H](NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1ccc([N+](=O)[O-])cc1 560514696 QWTQIDQIGMYPEX-FGZHOGPDSA-N 439.947 4.498 5 20 IIBD CN1CC[C@@H](NCCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1c1ccc(F)c(F)c1 564613788 AERLSOBJQXJKFP-DENIHFKCSA-N 428.439 4.106 5 20 IIBD CC(C)(C)c1noc(CSCc2cc(I)cc([N+](=O)[O-])c2)n1 567156473 POCPMHIDOZBEHC-UHFFFAOYSA-N 433.271 4.313 5 20 IIBD CSc1ccc([C@H](CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)N(C)C)cc1 571239996 JNPAGSWTFJRWJT-QHCPKHFHSA-N 431.561 4.436 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc(-c4ccco4)no3)cc2)cc1[N+](=O)[O-] 571706601 DXUQWWNKQCOZHI-UHFFFAOYSA-N 426.410 4.014 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 574301376 FEMVOZJSOSZBKR-QHCPKHFHSA-N 442.947 4.098 5 20 IIBD CCc1ccc([C@@H]2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)C2)cc1 575773189 YGIFEVVJZLNESM-FYYLOGMGSA-N 435.524 4.086 5 20 IIBD CCOC(=O)C[C@@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(Br)c1 578187856 NBJWNMSGOCQUEA-FZKQIMNGSA-N 449.301 4.272 5 20 IIBD Cc1cc(C(=O)N(CCc2ccc(Cl)cc2)C[C@@H](O)C(F)(F)F)cc([N+](=O)[O-])c1 580984440 NLSWADHHNLRGNU-QGZVFWFLSA-N 430.810 4.165 5 20 IIBD C[C@@H](CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCO1)c1nccs1 582893849 YBRVATMACOIQHQ-YJBOKZPZSA-N 442.545 4.119 5 20 IIBD Cc1ccc(-c2noc(-c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)n2)c(OC2CCCC2)c1 583525606 VFPRXNRJAKOXHL-UHFFFAOYSA-N 443.481 4.345 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(-c4nc[nH]n4)cc3F)cc2[N+](=O)[O-])C1 584748215 UJHLYXPOGOQKHB-ZIAGYGMSSA-N 438.463 4.254 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1cccc(NC(=O)c2cccs2)c1 602389620 WRGBINWLDBGBSO-ZDUSSCGKSA-N 440.481 4.356 5 20 IIBD CCOC(=O)c1c(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])sc2c1CC[C@H](C)C2 603042665 UNOJZUOHIRQHJF-NSHDSACASA-N 448.497 4.227 5 20 IIBD O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 603757632 RGAZYAOGQRDZID-UHFFFAOYSA-N 443.431 4.276 5 20 IIBD C[C@@H](NC(=O)c1ccc(Cl)c(I)c1)c1cccc([N+](=O)[O-])c1 603966645 FAKJRNIOKWOTAT-SECBINFHSA-N 430.629 4.344 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 604453351 VUNACJQGMKSSJN-UHFFFAOYSA-N 440.312 4.483 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N(CCN1CCCC1)c1ccccc1 606814878 HKTFPSFMMQYYKV-UHFFFAOYSA-N 425.532 4.284 5 20 IIBD COc1ccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c(C(F)(F)F)c1 608807267 ABBCTTYDSFUOHG-SNVBAGLBSA-N 432.782 4.359 5 20 IIBD CC1CCN([C@@H](CNC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)c2cccs2)CC1 609489914 HOHNNFKXEGNXMP-IBGZPJMESA-N 440.525 4.113 5 20 IIBD CCc1ccc(CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C2CC2)cc1 609500138 PLIRCWWMSWJWLT-GOSISDBHSA-N 427.526 4.015 5 20 IIBD CC(C)n1cnnc1[C@H]1CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 609522866 OLLGATNUIWHPAO-FQEVSTJZSA-N 448.527 4.399 5 20 IIBD COc1ccccc1[C@@H](CO)NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 609708657 KYGUXHGHJJSRSR-HSZRJFAPSA-N 444.491 4.279 5 20 IIBD COC(=O)c1cc(NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)cc([N+](=O)[O-])c1 609837490 QMYCSLGZMWDKOX-UHFFFAOYSA-N 438.440 4.126 5 20 IIBD Cc1ccc2cccc(C(=O)N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)c2n1 610150996 CURBLBMSUNTAHE-UHFFFAOYSA-N 444.413 4.433 5 20 IIBD COC[C@H](C)n1c(C)cc(C(=O)COc2ccc(Br)cc2[N+](=O)[O-])c1C 610219194 KONCMFDMWVHAEC-LBPRGKRZSA-N 425.279 4.245 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H](c1ccccc1)C(F)(F)F 610261112 NQTAALZOFQAHEL-ZDUSSCGKSA-N 429.203 4.484 5 20 IIBD CC(C)Cn1c(Sc2c([N+](=O)[O-])ncn2C)nc2sc3c(c2c1=O)CC[C@H](C)C3 610345591 APCXSKULPBODID-NSHDSACASA-N 433.559 4.032 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCO[C@@H]([C@H]4CCCO4)C3)cc2[N+](=O)[O-])cc1 610687264 AUZNXSVYJCVTRR-WOJBJXKFSA-N 428.510 4.074 5 20 IIBD O=C(CN1CCc2sc(Br)cc2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] 610990014 ACBDPDKGWSCLRZ-UHFFFAOYSA-N 430.711 4.069 5 20 IIBD O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)c1cc2c(cc1[N+](=O)[O-])OCO2 612664492 OVFNOKASTXDRTA-UHFFFAOYSA-N 427.316 4.084 5 20 IIBD COc1ccc(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(Br)c1 725972986 ZVYCZUMWAZBPDC-SNVBAGLBSA-N 448.229 4.334 5 20 IIBD O=C(Cc1cccc(C(F)(F)F)c1)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730709293 UOQADKJXLHBMCX-MRXNPFEDSA-N 436.386 4.004 5 20 IIBD CC(C)COc1ccccc1C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 731379404 ZLBLXFLCOHBACB-UHFFFAOYSA-N 440.374 4.444 5 20 IIBD C[C@@H](OC(=O)c1ccc2nc(C(F)F)[nH]c2c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 733539350 XVEDGCJNRYFYGJ-SECBINFHSA-N 429.339 4.377 5 20 IIBD C[C@@H](Nc1cccc2c1CCN(C(=O)OC(C)(C)C)C2)C(=O)Nc1cccc([N+](=O)[O-])c1 734157578 BTRYTMIKIRIUTO-OAHLLOKOSA-N 440.500 4.327 5 20 IIBD Cc1ccc(C(=O)OCCCOc2ccc([N+](=O)[O-])cc2)cc1NC(=O)NC(C)(C)C 741051591 VWMSONZSRMJBLE-UHFFFAOYSA-N 429.473 4.449 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 742499301 YKLNEHSWZQJFQX-SFHVURJKSA-N 447.532 4.002 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 742514244 FMSQLHUQGPICMG-ZBWUASRJSA-N 429.517 4.246 5 20 IIBD COC(=O)[C@@H](OC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1Cl 744882337 UBLHFMCNUWIIIC-SFHVURJKSA-N 437.235 4.314 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CSCC(=O)c1ccc(Cl)cc1 747352989 ANZUXOVUFOPCQG-UHFFFAOYSA-N 427.309 4.476 5 20 IIBD C[S@@](=O)Cc1cccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)c1 749434489 CGEKAEVCZDPINP-XMMPIXPASA-N 431.695 4.142 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)CCc1cccc(F)c1F 749786738 SSHWOQGWMQFULN-UHFFFAOYSA-N 430.411 4.293 5 20 IIBD Nc1nc(C2CCCC2)ncc1-c1noc(-c2cc([N+](=O)[O-])ccc2N2CCCCC2)n1 752912124 BTWXJXYRCQSOKD-UHFFFAOYSA-N 435.488 4.332 5 20 IIBD CCOC(=O)[C@H](c1ccc(Cl)cc1)N(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1CC1 753137192 MBAOWBJVBCYKAA-SFHVURJKSA-N 447.831 4.065 5 20 IIBD Cc1ccc(NC(=O)[C@H](N[C@H](CCO)c2cccs2)c2ccccc2)c([N+](=O)[O-])c1 754381597 CWFVHHBCUCFSCT-WIYYLYMNSA-N 425.510 4.358 5 20 IIBD C[C@H](OC(=O)CCC(=O)c1cc(Cl)sc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1 756619008 VPQCGTLZEDNWGO-VIFPVBQESA-N 445.280 4.496 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C(=O)OC(C)(C)C)Cc2ccccc21 756691813 KSFMKZYBQGJDSE-UHFFFAOYSA-N 427.457 4.001 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 756989584 BWMAMILCSFMFTL-UHFFFAOYSA-N 441.793 4.324 5 20 IIBD COC(=O)c1cncc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2OCc2ccccc2)c1 758848219 LUHFBJHDJRNHIK-UHFFFAOYSA-N 441.827 4.261 5 20 IIBD C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@@H](c2ccsc2)O1 759967171 VLLKBJPFVMHWEC-XPTSAGLGSA-N 429.267 4.160 5 20 IIBD COc1ccc2c(c1)[C@H](C(=O)OCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])CC2 763453143 FPDRQGFKALZBLD-OAHLLOKOSA-N 437.395 4.029 5 20 IIBD CC(C)Oc1ccc(S(=O)(=O)NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c2ccccc12 763970609 JXKJWTUAYJLBAQ-HNNXBMFYSA-N 442.493 4.144 5 20 IIBD COc1ccc(C(=O)OCC(=O)c2cc(C)n(Cc3ccc(F)cc3)c2C)cc1[N+](=O)[O-] 765259277 NVLWNMXSYIHGPH-UHFFFAOYSA-N 440.427 4.249 5 20 IIBD CC(C)(C)OC(=O)N1CCC(CCC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 765808986 AAHHYHOZPZFGKF-UHFFFAOYSA-N 425.913 4.292 5 20 IIBD CC(=O)c1cc(Cl)c(Cl)cc1OS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 766177889 BJWVLARZAGEJAE-UHFFFAOYSA-N 441.248 4.420 5 20 IIBD Cc1c(C(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])nnn1Cc1ccc(F)cc1 766871838 ISWAYLLDOKEDPS-JOCHJYFZSA-N 447.426 4.024 5 20 IIBD COc1ccc(-c2ccc(CN3CCOC[C@H]3C[C@@H](O)c3cccs3)o2)c([N+](=O)[O-])c1 770302713 SBLFOPDZQOJOER-FOIQADDNSA-N 444.509 4.249 5 20 IIBD CN(C(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1nc(-c2ccccc2[N+](=O)[O-])cs1 775495566 LCQQEGDCWALGPG-UHFFFAOYSA-N 435.421 4.451 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 778025365 WJEWXXIUJILSSJ-LJQANCHMSA-N 435.864 4.159 5 20 IIBD O=C(O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])C(F)(F)c1ccc([N+](=O)[O-])cc1 778075522 XBUBOCOMKLUCBU-GOSISDBHSA-N 429.335 4.323 5 20 IIBD C=CC(=O)Nc1cc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)ccc1F 780867626 AIZACKWXBQJYGT-UHFFFAOYSA-N 437.377 4.475 5 20 IIBD Cc1ccc(C[C@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccn2)cc1 781641635 KNKZKTYMJIIWSP-NRFANRHFSA-N 434.452 4.239 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(F)cc1-c1nc(C2CC2)no1 781698952 UBOOTYAERWMLMC-UHFFFAOYSA-N 441.375 4.141 5 20 IIBD CC1=C(C(=O)N(C)C)[C@@H](c2ccc([N+](=O)[O-])s2)NC(=S)N1c1cc(C)ccc1C 782243687 BPCSWFFXWYCQJM-GOSISDBHSA-N 430.555 4.071 5 20 IIBD Cc1c(C(=O)N2C[C@@H](c3cccc(Cl)c3)OC[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 782716577 MXBVKAVGWIQZDO-VOJFVSQTSA-N 433.848 4.375 5 20 IIBD C[C@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(S(C)(=O)=O)cc1 783318195 YFWQDDOESRFUMQ-LBPRGKRZSA-N 432.479 4.040 5 20 IIBD O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 787664618 KWBVMXZYYVDSDI-UHFFFAOYSA-N 446.459 4.114 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)Cc1ccc(Br)c(Cl)c1 787825059 XZCDCLZVVMZCRB-UHFFFAOYSA-N 441.665 4.044 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCC(COc2ccc(Cl)nc2)CC1 789085746 PAEKCKXHSWFOPC-UHFFFAOYSA-N 439.299 4.297 5 20 IIBD Cn1cc(C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c(-c2ccc(Cl)s2)n1 789294718 QUVNCWCWLPAXFJ-UHFFFAOYSA-N 445.844 4.117 5 20 IIBD O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1Br 790638711 QQLDBCLAWGUQOM-UHFFFAOYSA-N 439.209 4.263 5 20 IIBD O=C(c1cccc([C@@H]2CCOC2)c1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791171992 JYCBSTMDMZYOAV-OAHLLOKOSA-N 431.286 4.060 5 20 IIBD CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cn1 792202939 PIZSWIYIUOAHGD-HXUWFJFHSA-N 443.891 4.232 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@H](c1cncc(Br)c1)C1CC1 793481940 BVKOZAIBDGTUGG-KRWDZBQOSA-N 442.672 4.355 5 20 IIBD CNc1ccc(C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)cc1[N+](=O)[O-] 794806877 HTVBFVULHCWQNP-UHFFFAOYSA-N 442.472 4.018 5 20 IIBD CC(C)c1[nH]nc(C(=O)OCC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)c1[N+](=O)[O-] 796252793 HCLACODXAWTGAE-OAHLLOKOSA-N 434.468 4.031 5 20 IIBD O=C(OCc1cnc(Cl)cn1)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 798567589 AXGVPQRDAPUHSY-UHFFFAOYSA-N 432.219 4.280 5 20 IIBD O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 799630313 APPPTXKALZKPPC-SFHVURJKSA-N 441.553 4.119 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCCSCc1cccc2ccccc12 800601631 WKYMUADLIXMXRQ-UHFFFAOYSA-N 441.484 4.184 5 20 IIBD Cc1ccc(CCN(Cc2ccco2)C(=O)C(=O)Nc2c(F)ccc([N+](=O)[O-])c2C)cc1 800631652 GZJXFNKSCWOKFC-UHFFFAOYSA-N 439.443 4.154 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCCc1ccc(NC(=O)OC(C)(C)C)cc1 801041730 WNZAZHXBXAQVBG-UHFFFAOYSA-N 442.516 4.368 5 20 IIBD COC(=O)c1cnoc1COC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 803234710 OAXSSZUTDZHCCU-UHFFFAOYSA-N 432.772 4.172 5 20 IIBD CC(C)(C)OC(=O)N1CCC(c2cnc(NC(=O)c3cccc([N+](=O)[O-])c3N)s2)CC1 804816481 ISWPQSKIOJJHRV-UHFFFAOYSA-N 447.517 4.000 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1I)N1Cc2cccc(Cl)c2C1 807815152 INZASXMGYNNVMI-UHFFFAOYSA-N 428.613 4.009 5 20 IIBD CC[C@@H](NC(=O)Cc1noc(-c2cc([N+](=O)[O-])ccc2N2CCCCC2)n1)c1ccccc1 809485060 KZZZRCGSBHHSBP-HXUWFJFHSA-N 449.511 4.445 5 20 IIBD CCN(CC)C(=O)c1cccc(OS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)c1 809822121 WUSIFRVBSIYIFD-UHFFFAOYSA-N 447.296 4.151 5 20 IIBD O=C(Nc1ccc2c(c1)CCN2C(=O)c1cccnc1)Nc1cccc([N+](=O)[O-])c1Cl 809912909 OBXNJKLTPITUBH-UHFFFAOYSA-N 437.843 4.490 5 20 IIBD CCC(C)(C)c1ccc(CNC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1 810377708 BZPHASOHXZNOOD-UHFFFAOYSA-N 448.317 4.300 5 20 IIBD O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCN(c2ccccc2F)C1 811219647 SHMRGHOGNGPKAR-OAHLLOKOSA-N 427.457 4.427 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cc(F)c(F)cc1N1CCCCC1 813285597 LGOHDJAMVUBBQD-UHFFFAOYSA-N 434.399 4.343 5 20 IIBD Cc1cc2n(n1)[C@H](C(F)(F)F)CCN2C(=O)c1ccc(Br)c([N+](=O)[O-])c1 813374182 WKBAVVUXNAHYHN-LBPRGKRZSA-N 433.184 4.016 5 20 IIBD C[C@@H](N[C@H](C)c1ccc(N2CCCOC2=O)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 814658600 PUKMNQGPELRMRT-ZIAGYGMSSA-N 446.891 4.273 5 20 IIBD COc1cc(-c2noc(-c3cc(C(F)(F)F)ccc3[N+](=O)[O-])n2)cc(OC)c1OC 904671748 APSAWNXVFXBLAQ-UHFFFAOYSA-N 425.319 4.356 5 20 IIBD Cc1c(C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 916477890 KREKQEGAHSKOQP-UHFFFAOYSA-N 445.325 4.481 5 20 IIBD C[C@H](c1ccc(Cl)cc1)N(C)C(=O)COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 918865084 QAUDRBDTNYIPTI-OAHLLOKOSA-N 445.903 4.225 5 20 IIBD C[C@H](OC(=O)CCOc1ccc(Cl)cc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 919490971 ZLWUMZFSHUCCEJ-NSHDSACASA-N 427.240 4.241 5 20 IIBD COc1ccc(S[C@@H](C)C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 919513093 AGNQHMFOLCFANT-RYUDHWBXSA-N 438.889 4.308 5 20 IIBD Cc1nccn1-c1ccc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cn1 919749282 ZZPMUUCNJMZOBH-OAHLLOKOSA-N 443.467 4.304 5 20 IIBD CN(Cc1cccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1)C(=O)C(F)(F)F 920213132 MRQZDGCEACAUSY-UHFFFAOYSA-N 430.770 4.413 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1ccc(-c2nnc3n2CCCCCC3)cc1 1318043377 USOHBJDMRYLDCV-UHFFFAOYSA-N 439.447 4.126 5 20 IIBD Cc1cccc(CN2CCCC[C@H]2C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 1319041777 PNVSZHDCQVCABN-FQEVSTJZSA-N 436.468 4.051 5 20 IIBD Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 1321582612 HHVPOYDCAJEGCG-FQEVSTJZSA-N 425.485 4.054 5 20 IIBD COC(=O)C[C@@](C)(NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1ccncc1 1326217987 CWKBTLWHEPMODE-OAQYLSRUSA-N 429.860 4.471 5 20 IIBD Cn1ccnc1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 1336531028 IUSVAKRTBPRZCE-INIZCTEOSA-N 428.558 4.458 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)n1 1337930118 SVCMQMRUWBTXLF-OAHLLOKOSA-N 426.860 4.431 5 20 IIBD COc1ccc2[nH]c(C)c(C(=O)O[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2c1 1340853525 DOKIYPNKVVXLKO-NSHDSACASA-N 431.832 4.231 5 20 IIBD CCOC(=O)c1cc(-c2nnc(-c3cc(OC)ccc3Br)o2)cc([N+](=O)[O-])c1 1345951118 FYLZXCLIUZADGS-UHFFFAOYSA-N 448.229 4.260 5 20 IIBD COc1cc(N2CCC(OC(=O)c3cnn(C4CCCCC4)c3)CC2)ccc1[N+](=O)[O-] 1515083883 VJGYNTVZBCSYQJ-UHFFFAOYSA-N 428.489 4.131 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccoc4C)cc3)CCC2)ncc1[N+](=O)[O-] 1787364232 FGFGMNFBRZSIKS-UHFFFAOYSA-N 434.452 4.261 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@H]3CC3(F)F)cc2)CCC1)c1cc(F)cc([N+](=O)[O-])c1 1789137044 VADKXUZPDUSQMS-QGZVFWFLSA-N 433.386 4.137 5 20 IIBD C/C=C(/C)C(=O)NC1(c2ccc(NC(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])cc2)CCC1 1790085435 XDVXDAUCKJFSKN-CPSFFCFKSA-N 439.468 4.023 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(C2(NC(=O)C3CCOCC3)CCC2)cc1 1792315614 GKYNHKSEEQKZLN-IZZDOVSWSA-N 449.507 4.169 5 20 IIBD Cc1c(Cl)cccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C2 1792744257 QSDHZMLTBHWEAH-BCDXTJNWSA-N 441.915 4.051 5 20 IIBD Cc1cc(F)ccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823615759 MORKJIQYOBSHBH-IBGZPJMESA-N 443.475 4.182 5 20 IIBD O=C(C1CCCC1)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830614167 MNHSULBWMVFPSV-OAQYLSRUSA-N 431.508 4.157 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@H]2CCCCN2C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CC1 1831474681 DCRUFEKMWDEPRI-GSEOLPGOSA-N 443.544 4.247 5 20 IIBD O=C(OCc1ccccc1[N+](=O)[O-])C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 12335739 ZSWQTCNHGRQULZ-UHFFFAOYSA-N 436.386 4.209 5 20 IIBD COc1ccc(C(NC(=O)COc2cc(C)ccc2[N+](=O)[O-])c2ccc(OC)cc2)cc1 17748455 WQWIBWABFXPENE-UHFFFAOYSA-N 436.464 4.205 5 20 IIBD O=C(Nc1ccc(F)c([N+](=O)[O-])c1)/C(=C/c1cccs1)n1nnnc1-c1ccccc1 19163479 JUTSXJNGPPGLQH-PDGQHHTCSA-N 436.428 4.086 5 20 IIBD C[C@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]1c1cccs1 22559829 DQWGLXHOMDOIEZ-MAUKXSAKSA-N 443.525 4.166 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)CSc2nc3ccccc3s2)cccc1[N+](=O)[O-] 24011232 CBTPIGUAXWHFPG-GFCCVEGCSA-N 431.495 4.175 5 20 IIBD O=C(CSc1nnc(Nc2cccc(F)c2)s1)N1CCc2ccc([N+](=O)[O-])cc21 26525268 HWJDSVQUPWPAED-UHFFFAOYSA-N 431.474 4.010 5 20 IIBD Cc1csc(Sc2ccc(C(=O)O[C@H](C)C(=O)NC3CCCC3)cc2[N+](=O)[O-])n1 28870769 QUFMHAZXFHKVIC-GFCCVEGCSA-N 435.527 4.115 5 20 IIBD COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(-c3csc(C)n3)cc2)c([N+](=O)[O-])c1 30008056 NUVGFLRUCBKFPA-GFCCVEGCSA-N 433.511 4.075 5 20 IIBD COc1cc(C(=O)NCc2ccc(OCc3cccc(F)c3)cc2)c([N+](=O)[O-])cc1OC 31311581 QDPUEVUQPFFUCG-UHFFFAOYSA-N 440.427 4.260 5 20 IIBD Cc1ccc([C@@H]2CCCN2C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1C 64647764 IHLMUDNUXRIQLZ-KRWDZBQOSA-N 433.411 4.115 5 20 IIBD C[C@@H](CCc1ccc(Br)cc1)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 65125152 CWTGWVDYPKULCX-AWEZNQCLSA-N 443.301 4.294 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)[C@H](C)Oc1ccccc1Cl)c1ccccc1[N+](=O)[O-] 105863868 BPYDNMVLMUPBKZ-WMLDXEAASA-N 434.876 4.215 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)N2CCCC[C@H]2c2nc3ccccc3n2C)cc1[N+](=O)[O-] 117495213 GQHHZDUASBYFPU-SFHVURJKSA-N 448.932 4.359 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(Cl)cc1OCC(F)(F)F 303674392 XNHOLEGNMHRDID-UHFFFAOYSA-N 433.770 4.249 5 20 IIBD O=C(Nc1ccc(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1)c1cccnc1 426301895 FVPVNERHVIHVIN-UHFFFAOYSA-N 445.479 4.116 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2CCO[C@]3(CCSC3)C2)cc1 427555071 VCWYFMBTZSCYEN-OYHNWAKOSA-N 444.509 4.180 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)Cc2cn3c(n2)CCCC3)c([N+](=O)[O-])c1 429552431 ABOPJBXHINZEJY-HSZRJFAPSA-N 433.512 4.248 5 20 IIBD Cc1cccc(C(C)(C)CNC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1 430340370 FKDMXEODFJWFRZ-UHFFFAOYSA-N 448.317 4.007 5 20 IIBD CCN([C@@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 431848032 WWXKTUAWFKUXQV-QFIPXVFZSA-N 441.509 4.107 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCN(c2nc3ccccc3s2)CC1 436093689 OTKLIVXUNUCWEC-UHFFFAOYSA-N 440.528 4.253 5 20 IIBD CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2O)cc1 436793749 SVWAKUFKRIKJKK-UHFFFAOYSA-N 442.449 4.139 5 20 IIBD O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 437126077 MXNFCBOBVDCSNX-GOSISDBHSA-N 441.915 4.292 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 440285474 UZRPJXOHFJECCS-UHFFFAOYSA-N 439.365 4.040 5 20 IIBD C[C@@H](O)CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H](C)Cc1ccc(Cl)cc1 441283778 WYXASCMJSRBLCR-HUUCEWRRSA-N 430.892 4.112 5 20 IIBD CC(C)n1ncc2c(C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)cc(-c3ccco3)nc21 446439245 WODAZPFTGHQNOK-UHFFFAOYSA-N 431.452 4.379 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OC3CCC3)c(F)c2)c(C(F)(F)F)c1 447005965 JHGBEEZNBULIDZ-UHFFFAOYSA-N 434.367 4.485 5 20 IIBD C[C@@H]1OCC[C@]12CN(C(=O)Nc1cccc(Oc3ccc([N+](=O)[O-])cc3)c1)C[C@@H](C)O2 447978202 PRVJTYGFSHINHH-VVBPWWLESA-N 427.457 4.187 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1 460525324 RXBMUEHIJOPOEU-GOTSBHOMSA-N 436.556 4.081 5 20 IIBD C[C@@H]1C[C@H](c2ccccc2)CN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 461574007 TVPJGOHVDOWHRS-LQWHRVPQSA-N 433.512 4.272 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cc2nnc3n2CCCCC3)cc1 464107949 IDKUIODQFAIFPO-UHFFFAOYSA-N 437.525 4.234 5 20 IIBD O=C(Cc1csc(-c2cccs2)n1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464666339 VKZHCTYUTBRBPE-UHFFFAOYSA-N 429.523 4.392 5 20 IIBD CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 465635594 KHHVAZRVZGGJFX-BTYIYWSLSA-N 432.471 4.413 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NCC1(c2ccc(Cl)cc2)CCOCC1 466231979 DJDZYWAURBKKIL-UHFFFAOYSA-N 438.311 4.449 5 20 IIBD Cc1ccc([C@H]2OCCC[C@H]2NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 470770963 DKQJDXCJVQZZLM-IEBWSBKVSA-N 438.402 4.494 5 20 IIBD COc1cc(C(=O)N[C@@H](C)CSc2ccc(C)cc2)c([N+](=O)[O-])cc1OC(F)F 472254334 AHDVLGFZDAZBIZ-LBPRGKRZSA-N 426.441 4.424 5 20 IIBD CC(C)c1[nH]nc(C(=O)N2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] 474665585 NHYMRACKIXCBLT-CYBMUJFWSA-N 428.436 4.390 5 20 IIBD O=C1CCC(CC(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)CC1 475352065 HMDCAEZXDOZJFL-UHFFFAOYSA-N 441.553 4.117 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCC(N3CCCCC3=O)CC2)cc1[N+](=O)[O-] 478890010 XYYIJCYXUFTTBF-UHFFFAOYSA-N 433.574 4.350 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 479211600 FSVABOVSWSCUIX-INIZCTEOSA-N 442.686 4.019 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1N1CCCCC1=O 480403799 JHUHXFUXKHOMGH-CQSZACIVSA-N 429.498 4.240 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(CCc2ccccc2)Cc2cccnc2)c1C 480946835 CEDWJNIQZNJZJK-UHFFFAOYSA-N 425.510 4.040 5 20 IIBD CCn1c(S[C@H]2CCN(c3ccccc3Cl)C2=O)nnc1-c1ccc([N+](=O)[O-])cc1 481358845 JKTPQTJOYBHWSF-KRWDZBQOSA-N 443.916 4.424 5 20 IIBD CN1C(=O)C[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]1c1ccc(F)c(F)c1 482691628 LVCPIKWLOPCRLS-AZUAARDMSA-N 444.463 4.058 5 20 IIBD CCOC(=O)c1csc([C@H]2CCCN2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)n1 484939338 SAARXAGGYAULGX-QGZVFWFLSA-N 442.497 4.263 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCNC(=O)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] 486638908 JYHQUOKNXGYBLP-IBGZPJMESA-N 441.553 4.436 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CSCc1nc(-c2cc(OC)c(OC)c(OC)c2)no1 486778475 RCPXHZGYUTYFKA-UHFFFAOYSA-N 447.469 4.113 5 20 IIBD O=C(Nc1cccc(Cl)c1Br)c1cccc([N+](=O)[O-])c1N1CCOCC1 486829405 XLANVFRXJSJAIK-UHFFFAOYSA-N 440.681 4.100 5 20 IIBD COC(=O)c1cc(NC(=O)NC2CCN([C@H](C)c3ccccc3)CC2)c(C)c([N+](=O)[O-])c1 486864897 GWQNWFHTXOHLKP-MRXNPFEDSA-N 440.500 4.037 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)n2)c(C)c([N+](=O)[O-])c1 489760258 QAWQRMRRNMXHIJ-UHFFFAOYSA-N 428.832 4.090 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N[C@@H]1CCc2ccc(-c3ccccc3)cc21 490465620 VVFPXULDHLLXOK-HXUWFJFHSA-N 449.894 4.449 5 20 IIBD CCOCCOc1ccc(Br)cc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 491518918 BBGFRWCBFCBSAF-UHFFFAOYSA-N 439.262 4.034 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1OC 498800702 XPHIJJLIYFTTRO-UHFFFAOYSA-N 432.326 4.039 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)[C@H](C)c3ccco3)cc2)cc1[N+](=O)[O-] 499560402 MTHNNBVFWUXMNR-OAHLLOKOSA-N 443.481 4.130 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3cccc(Cl)c3n2)c(Br)c1 502478633 RGZRTOYGSWCMOL-UHFFFAOYSA-N 442.678 4.360 5 20 IIBD CC(C)NC(=O)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)cc1 505403803 PKXBVEVXCRLWNK-UHFFFAOYSA-N 431.448 4.216 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1Br 507549216 JUJAFEHKJKVLGH-UHFFFAOYSA-N 428.080 4.092 5 20 IIBD C[C@H](NC(=O)COc1c([N+](=O)[O-])cnc2ccc(Br)cc12)c1cccs1 508163595 MNRQCNNQMQOABE-JTQLQIEISA-N 436.287 4.223 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 510420542 QAXMFQNLDPDHHJ-INIZCTEOSA-N 433.333 4.336 5 20 IIBD Cc1cc(Sc2ccccc2)ccc1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 512864783 PBRYXKILMMQXHZ-UHFFFAOYSA-N 447.472 4.289 5 20 IIBD COc1cc(NCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)cc(S(C)(=O)=O)c1 512977149 HCRIJWXXHAQGLG-UHFFFAOYSA-N 441.509 4.387 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Sc2nnc(C[C@@H](C)c3ccccc3)o2)c([N+](=O)[O-])c1 513324672 HNSBENBLOOKTJZ-KGLIPLIRSA-N 442.497 4.452 5 20 IIBD Cn1ccnc1[C@H](NCC1(c2ccc3c(c2)OCCO3)CCCC1)c1cccc([N+](=O)[O-])c1 513702819 NJNYMHDMRIVEBI-HSZRJFAPSA-N 448.523 4.291 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)Nc2ccccc2Oc2cc(F)cc(F)c2)cc1[N+](=O)[O-] 513769610 NHQIXIMBJAJGLS-UHFFFAOYSA-N 448.403 4.321 5 20 IIBD CC(=O)Nc1cccc(NC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C 515121752 RPTLDOCLHFAHMX-UHFFFAOYSA-N 439.394 4.114 5 20 IIBD Cn1c(CCNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)nc2cc(F)ccc21 517681345 CBWYIGOLRKHZDW-UHFFFAOYSA-N 447.470 4.205 5 20 IIBD COc1ccc([C@@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c2ccc(F)cc2)cc1 519158232 BOWAAOYBFBMMMK-QHCPKHFHSA-N 446.438 4.448 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(CO[C@@H]2CCC[C@H](C)C2)c1 519876608 XJPMRIDHIGWOGI-HNAYVOBHSA-N 434.514 4.500 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1cccc(OCC(F)(F)F)c1 520387810 MTNPSEPFBUJFDY-NSHDSACASA-N 432.782 4.273 5 20 IIBD COc1ccc(CCC(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)cc1Br 520504231 KAIJRXLLQZTRAB-UHFFFAOYSA-N 445.273 4.123 5 20 IIBD Cc1cc(CN(C)C(=O)CNc2ccccc2[N+](=O)[O-])cc(C)c1OCC(F)(F)F 521012286 BLCMUXFGVFVSCV-UHFFFAOYSA-N 425.407 4.223 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)S(=O)(=O)c1cccc(C(F)(F)F)c1 526046310 AJKNSPBEGATHCA-SNVBAGLBSA-N 427.360 4.199 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCN(c2ccc(F)cc2Cl)CC1 533859476 DDOQEVFVKKDWON-UHFFFAOYSA-N 446.891 4.473 5 20 IIBD CC(C)Cn1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c(C(F)F)n1 534169553 WMKGFXFAIYQKJC-UHFFFAOYSA-N 442.366 4.205 5 20 IIBD C[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(OCc2ccccn2)c1 534622873 MOYGMQWTDVNJJH-INIZCTEOSA-N 430.464 4.470 5 20 IIBD C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 536805947 LHBQILRJORINQE-HOTGVXAUSA-N 429.498 4.078 5 20 IIBD CC(C)[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc(-c2nc[nH]n2)no1 537324796 GLXNWFBFMZOAPP-MRXNPFEDSA-N 443.851 4.163 5 20 IIBD O=C(N[C@@H](CO)c1ccc(C(F)(F)F)cc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 538930258 WVYAMOKSMDSDPU-HNNXBMFYSA-N 437.399 4.201 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 539642140 NQRRRCXRPQJEFD-IRXDYDNUSA-N 435.402 4.313 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCc1ccc(OCCN2CCCC2)cc1 540358187 YDCRTNAIFWYXBU-UHFFFAOYSA-N 426.517 4.050 5 20 IIBD COc1ccc(-c2csc(NC(=O)[C@H](C)N[C@@H](C)c3cccc([N+](=O)[O-])c3)n2)cc1 540379912 KJNKEFDCIRCACE-KBPBESRZSA-N 426.498 4.405 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)Cc1c[nH]c2ccccc12 540897602 OGUOQIQESYEUIS-INIZCTEOSA-N 427.526 4.158 5 20 IIBD COC(=O)C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccc(C(F)(F)F)cc1 541783998 WZZVUAYOSONCOD-OAHLLOKOSA-N 429.326 4.179 5 20 IIBD COc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 542001022 VJFINAGSXKNCLV-OAHLLOKOSA-N 438.267 4.154 5 20 IIBD CCOc1ccc([C@H](C)NC(=O)COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC 542223807 RKVWTGKWEUYZOX-LBPRGKRZSA-N 442.390 4.277 5 20 IIBD CC(=O)N[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1c(F)cccc1F 543854300 XJQHYIQRCXPVRI-AWEZNQCLSA-N 431.317 4.098 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H](C)c2nnc(C)s2)cc1[N+](=O)[O-] 544707948 XAUGEIONYIPBEC-NSHDSACASA-N 442.522 4.199 5 20 IIBD CC(C)(C(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1)c1ccc([N+](=O)[O-])cc1F 545119443 GAYAPONTKBEBPE-UHFFFAOYSA-N 431.439 4.028 5 20 IIBD COc1cc(Cc2noc(-c3cc(OC(F)F)cc(OC(F)F)c3)n2)ccc1[N+](=O)[O-] 545781530 KWMNQHYPCRZIMC-UHFFFAOYSA-N 443.309 4.447 5 20 IIBD Cc1nn(C)c(-c2nc(-c3cc(Br)cc(C(F)(F)F)c3)no2)c1[N+](=O)[O-] 545783782 BORPIKCGTVYWDU-UHFFFAOYSA-N 432.156 4.135 5 20 IIBD CCOc1ccccc1NC(=O)Cc1noc(-c2cc([N+](=O)[O-])ccc2C(F)(F)F)n1 551412900 OHNISLHMWXRYAE-UHFFFAOYSA-N 436.346 4.244 5 20 IIBD O=C(N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F)c1cc(O)nc2ccc([N+](=O)[O-])cc12 553156177 TYWCMJXNDLYNPQ-SFHVURJKSA-N 430.342 4.363 5 20 IIBD CC(C)(NC(=O)c1cc(F)c(F)cc1I)c1ccccc1[N+](=O)[O-] 553729508 DHLZXKPJVNMWGS-UHFFFAOYSA-N 446.191 4.143 5 20 IIBD Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)c2c[nH]nc2[N+](=O)[O-])cc1C 554835151 PORLCOGSXOVGMP-UHFFFAOYSA-N 430.468 4.060 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CN(Cc3ccc(-n4cncn4)cc3)C3CC3)cs2)c1 555367088 PVYXHXQGQZOYSX-UHFFFAOYSA-N 432.509 4.464 5 20 IIBD CC(=O)N1CCN(c2ccccc2CNc2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 558905379 GDWBHJYMCQOAAZ-UHFFFAOYSA-N 436.434 4.203 5 20 IIBD CCOC(=O)C(C)(C)c1csc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)n1 560672141 MHMQYFYPBUSJNU-UHFFFAOYSA-N 431.392 4.163 5 20 IIBD NC(=O)c1cccc(NCCOc2ccc3cc(Br)ccc3c2)c1[N+](=O)[O-] 561141828 RDNAQLNVJREYAY-UHFFFAOYSA-N 430.258 4.100 5 20 IIBD Cc1cc(C(=O)N(CCc2ccc(Cl)cc2)C[C@H](O)C(F)(F)F)ccc1[N+](=O)[O-] 562212969 AVNJNAYWSTWNTP-KRWDZBQOSA-N 430.810 4.165 5 20 IIBD CC(=O)Nc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])cc(Br)c3C)sc2c1 565094532 UADSCNXVQOOCST-UHFFFAOYSA-N 449.286 4.486 5 20 IIBD COC(=O)c1ccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c(F)c1 569486862 MSTHRSTYIQMEPW-KBPBESRZSA-N 429.448 4.255 5 20 IIBD COc1cccc(C(=O)NCCOc2ccc3cc(Br)ccc3c2)c1[N+](=O)[O-] 570763366 QLNPSLRBQKEFSL-UHFFFAOYSA-N 445.269 4.328 5 20 IIBD O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(c3nccnc3C(F)F)CC2)s1 573995354 SQOFFNYQHQSXMT-UHFFFAOYSA-N 431.468 4.373 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H]1c1ccc(Br)cn1 574938080 JIDREWFHVQAFTQ-SFHVURJKSA-N 429.274 4.140 5 20 IIBD CCc1c(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)nnn1Cc1ccc(F)cc1 579644168 RBCQTNZOCYELBA-UHFFFAOYSA-N 447.430 4.058 5 20 IIBD Cc1c(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cnn1Cc1ccccc1 603669665 BXKFBBJNNVDSBX-UHFFFAOYSA-N 447.417 4.009 5 20 IIBD CCOc1ccc([C@@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccccc2)cc1 603721229 OCTAPBCCIBQXHY-QFIPXVFZSA-N 433.464 4.146 5 20 IIBD Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 603764235 JERNAWFRTJSDQV-UHFFFAOYSA-N 433.420 4.179 5 20 IIBD CCOc1c(Cl)cc(/C=C2\CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)cc1OC 603781429 WLNQDUDWACYNNU-MDWZMJQESA-N 427.844 4.310 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)cc1[N+](=O)[O-] 604032751 HKSWPQAPPXFVTP-UHFFFAOYSA-N 444.553 4.385 5 20 IIBD COc1ccc(CSCC(=O)NCCc2c[nH]c3cc(Cl)ccc23)cc1[N+](=O)[O-] 604487050 PCZIVKMAYIXZSG-UHFFFAOYSA-N 433.917 4.330 5 20 IIBD CC1(C)CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@H]1c1ccccc1 609134387 UYHPSPHCSZEFRV-INIZCTEOSA-N 425.304 4.129 5 20 IIBD CCOC(=O)c1cc(-c2nc(-c3cccc(CN4CCCCC4)c3)no2)cc([N+](=O)[O-])c1 609475259 YGASATWCHDAPAN-UHFFFAOYSA-N 436.468 4.474 5 20 IIBD COc1cc(C(=O)Nc2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)cc([N+](=O)[O-])c1OC 610173410 HVVBTHUEYSXBOA-AWEZNQCLSA-N 441.484 4.045 5 20 IIBD COc1cc(CN[C@@]2(CO)CCc3ccccc32)ccc1OCc1ccc([N+](=O)[O-])cc1 610916081 QRNWFWDFZRSYMS-RUZDIDTESA-N 434.492 4.106 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCc2sc(Br)cc2C1 610990251 WPQRPLCNNADYFQ-SECBINFHSA-N 444.738 4.458 5 20 IIBD CCS(=O)(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cc1 611475598 FRIUDVHTRCABJD-UHFFFAOYSA-N 448.566 4.353 5 20 IIBD C[C@@H](OC(=O)c1ccc2c(c1)CCCN2)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 727896396 LCFHPFIJOVMGLP-LLVKDONJSA-N 437.374 4.156 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 727985271 DCXHCXSRPAJCDW-SFHVURJKSA-N 431.489 4.185 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCc2nc3cc(F)ccc3n2C)cc1[N+](=O)[O-])c1ccccn1 731883894 PEHYEJTUPTYAIH-CQSZACIVSA-N 448.458 4.119 5 20 IIBD C[C@H](CC(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)c1ccccc1 732858651 KUUSUPUQVMRFFM-GFCCVEGCSA-N 438.358 4.004 5 20 IIBD COc1ccc(COC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] 733530002 GJVVQCDZUIDOOT-HXUWFJFHSA-N 438.402 4.101 5 20 IIBD COc1ccc(CC(=O)Nc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)cc1[N+](=O)[O-] 734108836 IULBCRWLWBVOIW-UHFFFAOYSA-N 441.484 4.078 5 20 IIBD Cc1cccc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cn2)c1C 734395269 LYUTWZXQWQPBDZ-UHFFFAOYSA-N 448.479 4.488 5 20 IIBD Cc1cc(C(=O)COC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)c(C)n1CCC(C)C 735356067 URPNIBSOMJQZRM-UHFFFAOYSA-N 439.468 4.353 5 20 IIBD O=C(OC[C@@H]1CC1(Cl)Cl)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 736864436 UEIQTUOFCKMXCH-ZETCQYMHSA-N 425.055 4.438 5 20 IIBD Cc1c(Cl)cccc1OCC(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 736907587 SNSSWYVGPYBBFO-UHFFFAOYSA-N 446.765 4.136 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NC[C@](C)(O)c3cccs3)cc2[N+](=O)[O-])n1 740165186 XZACRHMLNLYVAP-SFHVURJKSA-N 435.552 4.210 5 20 IIBD COc1ccc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)cc1[N+](=O)[O-] 740819475 SNUSYYMEMKHWBF-SFHVURJKSA-N 449.891 4.139 5 20 IIBD O=C(COc1ccc(Br)cc1[N+](=O)[O-])Nc1ccc(N2CCCCC2)cc1 741855297 JGWUPPNCOVOYDA-UHFFFAOYSA-N 434.290 4.365 5 20 IIBD C[C@@H](OC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1nc(Cc2ccc(Cl)cc2)no1 744882789 WQFAKIXJKPWUGC-CYBMUJFWSA-N 440.843 4.481 5 20 IIBD C[C@H](OC(=O)C1(NC(=O)OC(C)(C)C)CCCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 744963472 IWDZJFGBVZKELB-ZDUSSCGKSA-N 446.460 4.087 5 20 IIBD C[C@@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 745072967 DVRCVAZAOBZTOJ-MRVPVSSYSA-N 446.328 4.138 5 20 IIBD O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)c1cccc(Cl)c1[N+](=O)[O-] 749921868 WSRKNGWPYQFJPA-GFCCVEGCSA-N 438.709 4.267 5 20 IIBD CC(C)(C)OC(=O)N(CC1CC1)C1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 750832522 FQVWIIAPELLXEX-UHFFFAOYSA-N 447.532 4.073 5 20 IIBD CC(C)N(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccc(N2CCOCC2)cc1 751181396 QECVYMCFERJNEP-UHFFFAOYSA-N 448.317 4.249 5 20 IIBD CSc1ccc(C(=O)N2C[C@@H](CCN3CCCC3=O)c3ccccc32)cc1[N+](=O)[O-] 751329505 IIDZSVSDKRXABD-MRXNPFEDSA-N 425.510 4.073 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)c(OS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1 755281435 QZBRPJDXWIBEJH-UHFFFAOYSA-N 426.422 4.157 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c(Br)c1 756772574 MQDJVSWTXSPYGS-LLVKDONJSA-N 446.257 4.331 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)N[C@@H](c1ccccc1)c1cccs1 763723728 IUQYDQXHWVTVNV-IBGZPJMESA-N 430.869 4.372 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2 763811822 YPBFMSRANQTBIO-UHFFFAOYSA-N 433.526 4.276 5 20 IIBD O=C(Oc1ccc(NC(=O)c2cccs2)cc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 764147650 AGJPPEVGLBJWRU-UHFFFAOYSA-N 434.433 4.314 5 20 IIBD COc1cc(OC)cc([C@H](O)CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)c1 764302049 GIAZOXFVKKXMLM-HXUWFJFHSA-N 446.525 4.110 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 765029569 DZNVHMXQNLHBIQ-QRQCRPRQSA-N 443.504 4.039 5 20 IIBD O=[N+]([O-])c1ccc(-c2cnn(CN(CCCOc3ccccc3)C3CCOCC3)c2)cc1 766028611 VLVIVSCNKQSPJK-UHFFFAOYSA-N 436.512 4.366 5 20 IIBD COc1cc(COC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c([N+](=O)[O-])cc1F 766172226 DCRAENXIFPLWAJ-UHFFFAOYSA-N 428.420 4.303 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 767992422 UBJSZIVJXWDAOA-FQEVSTJZSA-N 435.871 4.093 5 20 IIBD O=C(Nc1cccc(F)c1)C1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 769232105 FFAHMYSDAMPSOK-UHFFFAOYSA-N 436.281 4.347 5 20 IIBD CC(C)CO[C@@H](C)c1noc(CN(C)Cc2ccc(Br)c([N+](=O)[O-])c2)n1 769557810 QRADZBZBCXSPGN-LBPRGKRZSA-N 427.299 4.106 5 20 IIBD Cc1ncc(CN(C)c2ccc([N+](=O)[O-])c(N(C)Cc3cnc(C)s3)c2[N+](=O)[O-])s1 771148769 WPRICLSCRKNEBE-UHFFFAOYSA-N 448.530 4.306 5 20 IIBD CCCCn1cc(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1 771230080 LNCDWZOHBCNLBM-IBGZPJMESA-N 442.516 4.142 5 20 IIBD CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 771768046 NITAJBFYEBZMRO-LBPRGKRZSA-N 432.399 4.087 5 20 IIBD CCCNC(=O)c1ccc(Cl)cc1NC(=O)c1sc(Br)cc1[N+](=O)[O-] 772122117 KKKOYVIGVDWOOW-UHFFFAOYSA-N 446.710 4.464 5 20 IIBD O=C(CCCn1c(=O)oc2ccccc21)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776137305 ZKTZVYGEEVYCQH-QFIPXVFZSA-N 433.420 4.011 5 20 IIBD Cc1csc2ncc(C(=O)OCc3ccc(Oc4cccc([N+](=O)[O-])c4)cc3)c(=O)n12 776331377 UCERHMFAGSQXOC-UHFFFAOYSA-N 437.433 4.122 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F 776599383 ZBTDDPYWWBQCBM-UYAOXDASSA-N 434.418 4.324 5 20 IIBD COc1cc(C2SCCS2)ccc1OC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781573932 CWWRGMVKRFRULO-SFHVURJKSA-N 446.506 4.181 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 782361542 LRUZUBTUUBPHJA-ZDUSSCGKSA-N 445.522 4.449 5 20 IIBD Cc1cccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 782429039 YYFCOQPVZPWRGX-UHFFFAOYSA-N 427.844 4.317 5 20 IIBD CC(C)(C)OC(=O)N[C@H](C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(C)(C)C 787602787 BJMRBRZRKZZORP-CQSZACIVSA-N 433.427 4.169 5 20 IIBD CCOC(=O)Nc1nc2ccc(NC(=O)c3c(OCC)cccc3[N+](=O)[O-])cc2s1 791554702 ULOPMADZJBSNHW-UHFFFAOYSA-N 430.442 4.424 5 20 IIBD CC(C)(C)OC(=O)NCCc1nc(C(=O)OCc2cc(Cl)ccc2[N+](=O)[O-])cs1 795899130 LBCITRCNEPZSBF-UHFFFAOYSA-N 441.893 4.129 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CC[C@@H](c2ccccn2)C1 798714598 BFPNHOSFSLNJJZ-GFCCVEGCSA-N 432.267 4.112 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(Cc1ccccc1F)C1CCCCC1 800629582 IIVMKVQTKKIWGZ-UHFFFAOYSA-N 431.439 4.481 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)OCc2cccc(-c3ccccn3)c2)cc1[N+](=O)[O-] 800975923 POTRPKTVOQJIPV-UHFFFAOYSA-N 447.476 4.294 5 20 IIBD CO[C@@H](COC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(Cl)cc1 801252039 VALZNROXUOYVIU-UXHICEINSA-N 446.887 4.092 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N(Cc1ccccc1)C[C@@H](O)c1ccccc1 804408814 NANJTMWQZMDTMC-HSZRJFAPSA-N 449.463 4.198 5 20 IIBD O=C(N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 804749920 YTNVYSGFUBCZJD-GOSISDBHSA-N 444.356 4.223 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(C)[C@@H](C)Cc1ccccc1C(F)(F)F 807454045 JQCFBAKVDGGBTA-NSHDSACASA-N 441.381 4.089 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](C2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)C1 810085576 HPFBVVFDBPJXLK-INIZCTEOSA-N 430.505 4.205 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811085351 JRPVISILOMSRME-NSHDSACASA-N 443.230 4.493 5 20 IIBD CNC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 814374546 OHADBCWDOVSBAB-GOSISDBHSA-N 437.418 4.330 5 20 IIBD O=C(OCc1ccnc(Br)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 815236304 VIYZZGLUICQWOR-UHFFFAOYSA-N 445.219 4.474 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Cl 821968960 NHTQMGIERIRABV-CQSZACIVSA-N 442.859 4.235 5 20 IIBD CC(C)(C)OC(=O)NCCN1C(=O)c2ccccc2N[C@@H]1/C=C/c1ccccc1[N+](=O)[O-] 877852792 FMSIAXATSASRNS-SJFMBGHLSA-N 438.484 4.027 5 20 IIBD COCCOCc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c1 916484813 NINSGKHEGUBUOC-UHFFFAOYSA-N 427.501 4.246 5 20 IIBD CCOc1ccc(Oc2cc(CNC(=O)c3cc([N+](=O)[O-])ccc3N(C)C)ccn2)cc1 917782732 YHRFTSVAUWYBEB-UHFFFAOYSA-N 436.468 4.177 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccccc1-c1n[nH]c(-c2ccccc2)n1 918650825 UYQLFMYNONSURK-UHFFFAOYSA-N 439.435 4.035 5 20 IIBD C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)COC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 918876223 XZISVDONLXRLKI-UONOGXRCSA-N 436.917 4.492 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 919213009 GOWIRGRWKODVCB-NSHDSACASA-N 432.816 4.495 5 20 IIBD O=C(COC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)NCC1(c2ccc(F)cc2)CCCC1 919213952 NVDGPISFMHVAFB-UHFFFAOYSA-N 440.427 4.265 5 20 IIBD C[C@H](OC(=O)c1sccc1Br)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 919343428 DBFBCOFMVKZYKM-ZETCQYMHSA-N 433.667 4.256 5 20 IIBD CCCN1CCN(c2ccc(NC(=O)c3ccc(NC)c([N+](=O)[O-])c3)cc2Cl)CC1 919834561 LULKDQZOPNALNS-UHFFFAOYSA-N 431.924 4.074 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)NC[C@H]2CCCC[C@@H]2C(C)(C)C)cc1[N+](=O)[O-] 920034446 RPJQLTASATZCOL-CVEARBPZSA-N 431.562 4.457 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3ccc(CCC(N)=O)cc3)cc2[N+](=O)[O-])n1 1318238083 XBLMHRFCZWFIMA-UHFFFAOYSA-N 442.522 4.181 5 20 IIBD CC(C)(C)OC(=O)NCc1ccccc1CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] 1338218879 CEXHQSRFDVLOBU-UHFFFAOYSA-N 440.500 4.124 5 20 IIBD COc1ccc(NC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)c([N+](=O)[O-])c1 1517707570 BQFYYUGSQXBZRG-CYBMUJFWSA-N 449.305 4.014 5 20 IIBD Cc1ccncc1C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])o3)cc2)CCC1 1786204386 BUJOIDNDSOEBHJ-VQHVLOKHSA-N 446.463 4.352 5 20 IIBD O=C(CCCc1ccncc1)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1 1786908205 FHEIVPCNWOXWIJ-UHFFFAOYSA-N 447.495 4.089 5 20 IIBD C[C@@H](Nc1ccccc1)C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1 1790185467 DVUQYPFFHWUKOD-MRXNPFEDSA-N 447.495 4.171 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccccc3O)CCC2)cc1)c1cc(O)cc([N+](=O)[O-])c1 1790755251 PUNNCHHFDUKASI-UHFFFAOYSA-N 447.447 4.068 5 20 IIBD Cc1ccoc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 1796979059 LTCRQNHXMWUQHW-MUJYYYPQSA-N 439.493 4.277 5 20 IIBD CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3cccc([N+](=O)[O-])c3)n[nH]2)CCCC1 1814372786 DICFEFMNOLXGOR-IBGZPJMESA-N 439.516 4.133 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])[nH]n1)[C@@H]1C[C@@H]1C1CC1 1814762636 FSJRXPRXMXBMHI-PLUOWURXSA-N 449.511 4.070 5 20 IIBD O=C([C@@H]1CC=CCC1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830616708 LTMWUJQAZZJXJK-WIYYLYMNSA-N 443.519 4.324 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CCC2)CC1 1830729965 RUKMSVQQMCVHNF-HXUWFJFHSA-N 431.508 4.076 5 20 IIBD C[C@H](OC(=O)CCC(=O)c1ccc(Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 3402730 MZXBOUHSTGBYEM-NSHDSACASA-N 439.251 4.435 5 20 IIBD O=C(COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(Br)cc1Cl 9765152 IWNHJJCUVJDWLE-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD Cc1nc(COc2cccc(C(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCCO4)c2)cs1 10965865 ZQLMOZGZWGVUPA-UHFFFAOYSA-N 441.465 4.352 5 20 IIBD O=C(OCc1nnc(-c2ccc(Br)o2)o1)c1ccc([N+](=O)[O-])cc1Cl 11028672 JOULIUCQOKHUTN-UHFFFAOYSA-N 428.582 4.011 5 20 IIBD COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1[N+](=O)[O-] 11342085 JKVHVWBGXSKOHX-VIFPVBQESA-N 446.765 4.460 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cccc(N3CCCC3=O)c2)cc1)c1cccc([N+](=O)[O-])c1 15603179 GJDZGKYEJLLXAH-UHFFFAOYSA-N 445.431 4.193 5 20 IIBD C[C@H](OC(=O)[C@@H]1COc2ccc(Cl)cc2C1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 16796661 GVFVZFPKLOUKKW-JQWIXIFHSA-N 439.251 4.023 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1sc(C)nc1-c1ccccc1 18765003 BIKYRSUHAVWMSM-LBPRGKRZSA-N 441.465 4.219 5 20 IIBD COc1ccc(OCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c([N+](=O)[O-])c1 21745355 IBOPNSHMPPGWMU-INIZCTEOSA-N 449.463 4.112 5 20 IIBD O=C(COC(=O)CSc1nc2ccccc2s1)Nc1cc([N+](=O)[O-])ccc1Cl 22030031 QNRYYJLPUVJKFI-UHFFFAOYSA-N 437.886 4.132 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 22496241 VXRQXGABVPRLFV-RXMQYKEDSA-N 438.692 4.128 5 20 IIBD COc1ccc(C2=NN(C(=O)COc3cc(C)ccc3[N+](=O)[O-])[C@@H](c3ccco3)C2)cc1 24542631 BHRMQHJPKBHLIX-HXUWFJFHSA-N 435.436 4.262 5 20 IIBD O=C(NC[C@H](c1cccs1)N1CCCC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 61396548 UHXULLCMTCEKEZ-MRXNPFEDSA-N 443.447 4.164 5 20 IIBD CCOc1cc2c(cc1OCC)CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)CC2 61544041 LCGQNXXLUFKEQA-UHFFFAOYSA-N 427.501 4.169 5 20 IIBD CNC(=O)C1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CC1 63260933 ZLLBYDJSJFWAEE-UHFFFAOYSA-N 447.944 4.434 5 20 IIBD Cc1ccc2nc(COc3ccc(C(=O)NCCc4ccc([N+](=O)[O-])cc4)cc3)cn2c1 65124012 WVQMFVQMEWSPNV-UHFFFAOYSA-N 430.464 4.102 5 20 IIBD Cc1ccc(OCc2nnc(SCc3nc(-c4ccc([N+](=O)[O-])cc4)no3)o2)cc1 107841836 XZTVCMGSLYANBK-UHFFFAOYSA-N 425.426 4.208 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1OC(C)C 217231983 WTARBFKAHDLDIN-FQEVSTJZSA-N 427.501 4.302 5 20 IIBD CCN1CCN(C[C@H](C)CNCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 236953045 JAGKMYJKFBQMKY-GOSISDBHSA-N 446.979 4.404 5 20 IIBD O=c1c(Cl)c(N2CCO[C@@H](c3ccc(Cl)cc3)C2)cnn1-c1ccc([N+](=O)[O-])cc1 301161722 HLUKJHYHGXNFEM-GOSISDBHSA-N 447.278 4.025 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(N2CCC(c3c[nH]c4cc(F)ccc34)CC2)c1[N+](=O)[O-] 301231419 FNEOCJUOUCSYGF-UHFFFAOYSA-N 428.420 4.308 5 20 IIBD CC(C)n1c(Sc2ccc(Br)cc2[N+](=O)[O-])nnc1C1CCNCC1 301283751 LSSQIDYQMOUWHZ-UHFFFAOYSA-N 426.340 4.148 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)CCNc1ncc([N+](=O)[O-])cc1Br 301543391 OOXNHNDGMCZJLN-UHFFFAOYSA-N 443.685 4.163 5 20 IIBD COc1ccc(-n2c(Sc3ccc(Cl)cc3[N+](=O)[O-])nnc2-c2cnccn2)cc1 302787573 WZRQFSBGTKTOFT-UHFFFAOYSA-N 440.872 4.446 5 20 IIBD Cc1cc(Oc2ncccn2)ccc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 303003918 IKIJMHWXZURZKC-UHFFFAOYSA-N 433.468 4.341 5 20 IIBD O=C(NCCc1nc(C2CCCCC2)cs1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 303450981 JNTRVGHWOPHCTI-UHFFFAOYSA-N 425.514 4.257 5 20 IIBD CS(=O)(=O)c1cc(C(=O)Nc2c(F)cccc2Oc2ccccc2)cc([N+](=O)[O-])c1 410034949 SQFXINRPEKDASK-UHFFFAOYSA-N 430.413 4.182 5 20 IIBD O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 426250524 IQZRZRXEPIPLPO-GOSISDBHSA-N 437.422 4.308 5 20 IIBD O=C(c1cnc2c(F)cccc2c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 428004367 GKSLFOQFPDIPGE-UHFFFAOYSA-N 448.376 4.263 5 20 IIBD COc1ccc(-c2ccc(CNC[C@@]3(CO)C[C@H]3c3ccc(F)cc3)o2)c([N+](=O)[O-])c1 428556375 FNYCJXPLFOUYBV-NZQKXSOJSA-N 426.444 4.258 5 20 IIBD COc1cc(C(=O)N[C@H]2CCC[C@@H]2CCO)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 428823641 OGGICWLGUQALCF-CJNGLKHVSA-N 434.876 4.330 5 20 IIBD Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 434330289 LBFMARPKXNXPDE-GOSISDBHSA-N 439.903 4.452 5 20 IIBD CN(C)C(=O)N1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)CC1 435444171 VDBFPMWUYUPTSK-UHFFFAOYSA-N 434.543 4.140 5 20 IIBD O=C(NCCOc1cccc(Cl)c1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 435971642 MGVULMAYODILFC-UHFFFAOYSA-N 428.822 4.422 5 20 IIBD C[C@H](NC(=O)N[C@H](C)[C@@H](OC1CCOCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 437404530 CASBHUAVRCHQSQ-GSHUGGBRSA-N 427.501 4.280 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1ccc(Oc2ccncc2)cc1 438656895 RWYDJJNWQJYSIK-UHFFFAOYSA-N 434.452 4.158 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 441531964 DDCRQDAPSJONGR-OAHLLOKOSA-N 441.296 4.304 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(COCC(F)(F)F)c1 441741495 QEXYMGHYJZNVOJ-CYBMUJFWSA-N 428.432 4.471 5 20 IIBD O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCSC2(CCOCC2)C1 442749479 DSEFYAWZEMEOEM-UHFFFAOYSA-N 430.551 4.484 5 20 IIBD Cc1ccc(N2CCC(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)CC2)nc1 444082612 NZHFOVJLYAYVJH-UHFFFAOYSA-N 448.473 4.062 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N[C@H](CC(F)(F)F)c1ccc(F)cc1 445221134 OCFMCEMWRSLZKF-OAHLLOKOSA-N 425.342 4.103 5 20 IIBD CC[C@@H](C)NC(=O)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1 445907671 PCZUHRWNTCHQQN-GFCCVEGCSA-N 434.290 4.067 5 20 IIBD Cc1ccccc1C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCOCC1 445917208 JWBOUHLYKLGXKA-UHFFFAOYSA-N 447.329 4.073 5 20 IIBD CCOCCOc1cc(C)ccc1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 445936224 YDOOSQBZFCCYIT-UHFFFAOYSA-N 426.391 4.267 5 20 IIBD Cc1nc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)ccc1Br 446111315 IIWIRDQWVGJQHK-UHFFFAOYSA-N 429.068 4.004 5 20 IIBD CCSc1nnc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)s1 447947530 FOZBWXQQJOARLZ-UHFFFAOYSA-N 432.527 4.758 5 20 IIBD CC(C)c1nn(-c2ccccc2)cc1CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 460368668 ZESGEQZHXGMXEN-UHFFFAOYSA-N 435.484 4.008 5 20 IIBD CC[C@H](C)n1c(SCC(=O)NCCc2ccccc2[N+](=O)[O-])nnc1-c1ccccc1 460487921 LUBROGCHRZNLBX-INIZCTEOSA-N 439.541 4.275 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(c1nnc(CC3CCCCC3)n1C[C@H]1CCCCO1)CC2 461853955 MANJEPUSPHAZOY-JOCHJYFZSA-N 439.560 4.441 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(NC(=O)c2cccnc2)c(OC)c1 462443069 XWUGGIBZNAXTSZ-QGZVFWFLSA-N 448.479 4.458 5 20 IIBD Cc1cc(=NC(=O)c2c(C)cccc2I)c2cc([N+](=O)[O-])ccc2[nH]1 462605266 NASFZVBUGOMFPJ-UHFFFAOYSA-N 447.232 4.039 5 20 IIBD O=C(c1c(Cl)cccc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 462772385 BDMQMANQBSOSMF-UHFFFAOYSA-N 446.237 4.465 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@H](Cc1ccccc1)c1ccccc1 464037831 HMWCVJVJLAOARC-NRFANRHFSA-N 431.492 4.293 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(C[C@H](O)COc3ccc(Cl)cc3Cl)CC2)cc1 464778219 SAQOVUYTSZYVEC-INIZCTEOSA-N 441.311 4.185 5 20 IIBD CCOc1cc(NC(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)c([N+](=O)[O-])cc1OCC 466960212 SUYXAIVSCKSQJT-OAHLLOKOSA-N 439.472 4.461 5 20 IIBD CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 467050571 YWDATNMQUVRWGO-ZDUSSCGKSA-N 439.559 4.009 5 20 IIBD CC(C)CO[C@H]1CCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 468932127 MDRITFGEHSTZJN-QHCPKHFHSA-N 448.523 4.264 5 20 IIBD CC(C)[C@H](NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 472629823 LVLJVSNRPDCQPS-INIZCTEOSA-N 427.354 4.205 5 20 IIBD CC(C)(NC(=O)NCCc1cccc(OCC(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 475543141 OICZCWGGJPMMNY-UHFFFAOYSA-N 425.407 4.313 5 20 IIBD COc1ccccc1-c1nnc(SCc2c([N+](=O)[O-])ncn2C)n1-c1ccc(C)cc1 476472273 NBTKZZWDBQMXLT-UHFFFAOYSA-N 436.497 4.185 5 20 IIBD O=C(NCc1noc(-c2ccccc2F)n1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 477147476 HNMOPBWODWGEEQ-UHFFFAOYSA-N 448.410 4.293 5 20 IIBD COC(=O)c1cc(F)cc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1F 478086037 XPOGJUQNVAVCNG-CHWSQXEVSA-N 447.438 4.394 5 20 IIBD COC(=O)c1ccc(C(F)(F)F)nc1S[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 478717339 AMAVCQFQTLVDQB-SNVBAGLBSA-N 443.403 4.223 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1nnc(-c2c(F)cccc2Cl)s1 478783275 PWKPMOINUSOIFC-UHFFFAOYSA-N 431.836 4.499 5 20 IIBD COC(=O)c1csc(-c2cccc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c2)n1 479241123 HQRJSAZXVGHATP-UHFFFAOYSA-N 446.872 4.480 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCOc2c(F)cccc21 480107923 XKCOAHXLNMVVNO-QGZVFWFLSA-N 448.472 4.033 5 20 IIBD CCn1c(S[C@@H]2CCN(c3c(F)cccc3F)C2=O)nnc1-c1ccc([N+](=O)[O-])cc1 481349123 QMSQZQYBIABPEZ-MRXNPFEDSA-N 445.451 4.049 5 20 IIBD COC(=O)c1csc(-c2cccc(CNC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)c2)n1 481633886 XXAUNNMMIWBTAC-UHFFFAOYSA-N 431.857 4.088 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@@H]2CCCc3c[nH]nc32)c([N+](=O)[O-])c1 481833855 VRLYQPLNENCAPV-LJQANCHMSA-N 441.513 4.023 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cccc(-n2cc(C(F)(F)F)cn2)c1 481946309 WAVALQJQDFNXIL-UHFFFAOYSA-N 435.362 4.130 5 20 IIBD Cc1ccc(I)cc1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 481962232 WEPHNPQVJPTNCO-UHFFFAOYSA-N 437.237 4.098 5 20 IIBD COc1cc(C(=O)Nc2ccn(CCC(C)C)n2)c([N+](=O)[O-])cc1OCc1cscn1 483271682 NYQSDJVWMJHKCC-UHFFFAOYSA-N 445.501 4.134 5 20 IIBD O=C(CCCOc1ccc2c(c1)NC(=O)CC2)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 486156901 KZURVMSBMVTNSL-UHFFFAOYSA-N 437.374 4.296 5 20 IIBD CC[C@H]1CN(C(C)=O)[C@H](CC)CN1C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 486176834 MTUXLLFRZPJCLZ-UXHICEINSA-N 439.512 4.035 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1 486360173 UHJIFYOYQDMRNZ-LLVKDONJSA-N 431.246 4.207 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NCc2nc(-c3ccccc3F)cs2)c([N+](=O)[O-])c1 486493863 MBRSLWOVNRFJDI-UHFFFAOYSA-N 437.456 4.434 5 20 IIBD Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3SCC(C)C)C2)n1 486857511 YXTQMYUZGKSTAM-KRWDZBQOSA-N 431.562 4.104 5 20 IIBD CCN(CCC1CCN(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)CC1)CC(C)C 486871356 GWMCUYJZSSWAHS-UHFFFAOYSA-N 448.564 4.302 5 20 IIBD CNC(=O)c1cccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)c1 489539668 RTHZMZPFNJNLPT-UHFFFAOYSA-N 435.505 4.078 5 20 IIBD Cc1cc(CN(CC(C)C)C(=O)c2ccc([N+](=O)[O-])c(C)c2)nc(N2CCCCC2)n1 490186194 ARQVBKGTUUYWCL-UHFFFAOYSA-N 425.533 4.290 5 20 IIBD CCc1c(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cnn1CCC(C)C 494876707 FKMYUHBFNNILFP-UHFFFAOYSA-N 429.521 4.475 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)cc1OC 495389050 BQCORFWTMMXPOR-NSHDSACASA-N 446.847 4.197 5 20 IIBD CC(C)n1c([C@@H](C)NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)nc2ccccc21 495477092 FJLHETAXRWJINI-OAHLLOKOSA-N 432.484 4.417 5 20 IIBD O=C(Cc1cc(Br)ccc1F)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 498139737 CGEXJGHWHNWNKA-KRWDZBQOSA-N 425.279 4.313 5 20 IIBD O=C(N[C@H](Cn1ccccc1=O)c1ccccc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 501982001 WLUHWFIWLOSYEP-LJQANCHMSA-N 446.488 4.051 5 20 IIBD O=C(NCc1ccc(OCC2CC2)nc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 502057022 WTXXGIMPLAEVEB-UHFFFAOYSA-N 432.480 4.321 5 20 IIBD C[C@H](c1ccccc1Br)N(C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 503672942 VQHFWTRHZIKJRT-CYBMUJFWSA-N 429.274 4.376 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1cccc(OC(F)(F)F)c1)C1CC1 507449615 NYHQSXYBFRJBJR-KRWDZBQOSA-N 437.374 4.008 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(NCc2cc(Br)cs2)c([N+](=O)[O-])c1 510121264 VKSVKSGCWQBLPF-UHFFFAOYSA-N 448.364 4.061 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2C(F)(F)F)cc1[N+](=O)[O-] 510961579 ZOQDPGYZFLPNTM-TZMCWYRMSA-N 429.439 4.316 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 511463580 MUXAOTZBEZRZSR-UHFFFAOYSA-N 437.431 4.220 5 20 IIBD O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(Oc2ccncc2)c(Cl)c1 512499515 PJVFYDCLOGXZBJ-UHFFFAOYSA-N 436.815 4.473 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)c1 513565410 HAPTXSIZBMBGMN-UHFFFAOYSA-N 438.427 4.469 5 20 IIBD Cn1ccnc1[C@H](NCc1ccc(COCC(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 514091524 ZKBBGGQKFDBKLG-LJQANCHMSA-N 434.418 4.286 5 20 IIBD Cc1sc(NC(=O)Cc2csc(NC(=O)C(C)C)n2)nc1-c1cccc([N+](=O)[O-])c1 515622357 KTEYAMHJZJPDEJ-UHFFFAOYSA-N 445.526 4.259 5 20 IIBD CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 515986366 HJBWUFOPCWAIQC-UHFFFAOYSA-N 426.448 4.315 5 20 IIBD Cc1cc(CN(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc(C)c1OCC(F)(F)F 516541176 YIMIFTRVLVTSBI-UHFFFAOYSA-N 429.370 4.146 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NCC1(Sc2ccccc2)CCCC1 518866751 MKAXOONPRAINNE-UHFFFAOYSA-N 447.944 4.199 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)NCCSCCOc1cccc(Br)c1 518957646 PAKCTMYNUXTYEP-UHFFFAOYSA-N 439.331 4.208 5 20 IIBD Cc1cc(COc2ccc(C(=O)NCc3ccccc3[N+](=O)[O-])cc2Br)no1 519160029 ZMXDZWOZPSSSOY-UHFFFAOYSA-N 446.257 4.163 5 20 IIBD CCN(Cc1cccc(Br)c1)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 520711786 NKYNPRGXRSKNRG-UHFFFAOYSA-N 429.274 4.205 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCCCC[C@@H]2c2ccccc2)cc1OC 521386441 BACHHPDLMDPXBL-LJQANCHMSA-N 428.485 4.386 5 20 IIBD Cc1ccc(C(=O)Nc2cccc(CNC(=O)NCCOc3ccc([N+](=O)[O-])cc3)c2)cc1 521874438 PVLIONWUBMVRQR-UHFFFAOYSA-N 448.479 4.034 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCc3n[nH]cc3Br)c([N+](=O)[O-])c2)cc1 521883265 PMBNQUOTSGXZGW-UHFFFAOYSA-N 430.262 4.253 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(Cc3ccncc3)cc2)ccc1[N+](=O)[O-] 522485421 HNSIILYCVDNCPL-QHCPKHFHSA-N 444.491 4.132 5 20 IIBD COc1cc(OCC(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)ccc1[N+](=O)[O-] 523969457 PJOVWNCCWIAUSV-HKBQPEDESA-N 446.525 4.202 5 20 IIBD CCc1ccc([C@@H]2COCCN2C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 524058582 QESASEXMXKIVOA-HNNXBMFYSA-N 444.431 4.461 5 20 IIBD CCc1ccc(OCC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)c([N+](=O)[O-])c1 524533915 VVWOHIKMKJMLFA-HSZRJFAPSA-N 428.485 4.211 5 20 IIBD COc1cc(C(=O)N[C@@H](C)CCc2ccc(Br)cc2)cc([N+](=O)[O-])c1OC 525021544 VWHZZMJSWAYWRE-LBPRGKRZSA-N 437.290 4.126 5 20 IIBD COc1cccc(C[C@H]2CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1 531501904 LKHWMRSNMCXFPT-MRXNPFEDSA-N 433.302 4.142 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H](C)Cc2nc3ccccc3s2)cc1[N+](=O)[O-] 532184848 JJSUNCFGHXWNHX-ZDUSSCGKSA-N 431.539 4.194 5 20 IIBD Cc1ccccc1[C@H](OC[C@H](O)Cn1cc(Br)c([N+](=O)[O-])n1)c1ccccc1 533675812 XVHAZDKEQUQQKE-VQIMIIECSA-N 446.301 4.029 5 20 IIBD Cc1cccc(C)c1NC(=O)[C@@H](C)[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534062699 XRONLKFPSSYEKD-FOGNVHKLSA-N 427.482 4.143 5 20 IIBD COc1cc(C[S@@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)ccc1OC(F)F 536304759 FJXJMKPXEBUAJT-SSEXGKCCSA-N 438.408 4.309 5 20 IIBD CCOc1cc(C(=O)Nc2cc(Br)cc(Cl)c2O)c([N+](=O)[O-])cc1OC 536460198 UYMUWTIVFATSGH-UHFFFAOYSA-N 445.653 4.376 5 20 IIBD COC(=O)CN(Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C1CCOCC1 537650486 HUHSPVBLWHLGLR-UHFFFAOYSA-N 434.876 4.195 5 20 IIBD C[C@@H](NC(=O)Nc1cccc(NC(=O)CCN2CCCCC2)c1)c1ccccc1[N+](=O)[O-] 539301730 XJCBHTDTBPWXCY-QGZVFWFLSA-N 439.516 4.292 5 20 IIBD Cc1cc(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)n2)n(-c2ccc([N+](=O)[O-])cc2)n1 539599946 LMSZLSSRYQEPKI-UHFFFAOYSA-N 436.859 4.489 5 20 IIBD O=C(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)NCc1cccc(COCc2ccco2)c1 539757422 VZRRCENANBMZHH-UHFFFAOYSA-N 446.463 4.085 5 20 IIBD COc1cc(C(=O)NC[C@H](SC)C(C)(C)C)c([N+](=O)[O-])cc1OCc1cscn1 541277249 GMKSGYPFPCOQEO-KRWDZBQOSA-N 439.559 4.146 5 20 IIBD C[C@H](C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F 541597836 MQWHMXJFEYXXDG-LPHOPBHVSA-N 437.475 4.120 5 20 IIBD Cc1ncc2c(n1)CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)C2 542611255 BUDKRYORFNAFDB-QGZVFWFLSA-N 426.542 4.263 5 20 IIBD CS(=O)(=O)c1ccc(N2CCC(c3cccc(Br)c3)CC2)c([N+](=O)[O-])c1 543066651 LIZLFZMVMQAFJT-UHFFFAOYSA-N 439.331 4.145 5 20 IIBD C[C@H](C(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1F 543470375 HMVDOICAQZRPTA-HNNXBMFYSA-N 437.427 4.494 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCC(OC[C@@H]4CCOC4)CC3)c([N+](=O)[O-])c2)cc1 544124690 FXLDUWOMWVNWJP-GOSISDBHSA-N 439.512 4.177 5 20 IIBD COc1cc(Cc2noc(COc3ccc(F)cc3Br)n2)ccc1[N+](=O)[O-] 545785384 MCUYGXFBMYFGLT-UHFFFAOYSA-N 438.209 4.058 5 20 IIBD O=C1CCCN1c1ccc(-c2noc(CCOc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 546940345 FZGTWCYTWMJFBW-UHFFFAOYSA-N 428.832 4.047 5 20 IIBD O=C(CCc1cncnc1)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 556250306 XYAXUZJASIKSED-UHFFFAOYSA-N 430.823 4.219 5 20 IIBD Cc1nc([C@@H](C)NC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)n[nH]1 561384355 HNBHKFSRBOCNND-SNVBAGLBSA-N 440.510 4.273 5 20 IIBD CCn1c([C@H](C)Nc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)nc2ccccc21 574493935 PWQXIZUOLYBYJL-ZDUSSCGKSA-N 438.875 4.337 5 20 IIBD Cc1cc(/C=C/c2nc(CC(=O)NCc3ccc([N+](=O)[O-])cc3)no2)ccc1OC(C)C 575785400 DHDIBGXBMCURRV-YRNVUSSQSA-N 436.468 4.103 5 20 IIBD O=C(NCCc1nc2cc(Cl)ccc2s1)N1CCOc2ccc([N+](=O)[O-])cc2C1 576201559 DBDWQGORMPTNCV-UHFFFAOYSA-N 432.889 4.005 5 20 IIBD COc1cc(CN2CCC[C@@H](C[C@H]3CCOC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F 589199775 GSUFYBJUSKHWJU-LSDHHAIUSA-N 432.439 4.183 5 20 IIBD CCOc1ccc(C(=O)N2CCC(c3c(OC)cc(OC)cc3OC)CC2)cc1[N+](=O)[O-] 600259445 SFKLRKAKMFPVQR-UHFFFAOYSA-N 444.484 4.039 5 20 IIBD CCCCn1nccc1NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 603623802 WXCADMBLUBFZAX-UHFFFAOYSA-N 439.438 4.465 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 604016340 ROSSKOAJBBXBMQ-AWEZNQCLSA-N 437.427 4.486 5 20 IIBD C[C@H]1CCc2c(sc3nc(CCC(=O)N[C@H](C)c4cccc([N+](=O)[O-])c4)nc(O)c23)C1 604108549 IRYUKRIABZWCGN-QWHCGFSZSA-N 440.525 4.240 5 20 IIBD CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 604192239 MZUIVUPJKOITRE-UHFFFAOYSA-N 437.475 4.403 5 20 IIBD COc1ccc(Cl)cc1C1(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCOCC1 604547407 WKRYNEYJYACVMS-UHFFFAOYSA-N 443.887 4.216 5 20 IIBD Cc1cnn([C@@H]2CCCc3ccccc32)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C 609321822 MLGOYYIRFDEXGD-LJQANCHMSA-N 426.498 4.135 5 20 IIBD C[C@@H](NC(=O)CSCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccccc1Cl 609770255 IKLRBHCSORXSEM-CYBMUJFWSA-N 449.916 4.157 5 20 IIBD COc1ccc(NC(=O)c2cccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)c2)cn1 609785531 CVFHFHSOLCVLJF-UHFFFAOYSA-N 440.843 4.085 5 20 IIBD Cn1cnnc1Sc1ccc(-c2nc(Cc3ccc4ccccc4n3)no2)cc1[N+](=O)[O-] 612894097 RENPFOTUPSLORW-UHFFFAOYSA-N 445.464 4.064 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 617761748 KSVGNVWDAURBCG-GAJHUEQPSA-N 448.523 4.160 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)NC(c2ccccc2)c2ccccc2)cc1OC 619564198 YMGKTIJNUGMWKK-UHFFFAOYSA-N 436.464 4.148 5 20 IIBD O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 683556149 FHKZHOBBVWKSKJ-OKILXGFUSA-N 428.332 4.494 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC(c2nc3ccccc3s2)CC1 725817354 NSBSAEISPHOXTK-UHFFFAOYSA-N 437.930 4.426 5 20 IIBD O=C(OCc1cccc(OC(F)F)c1)c1ccc([N+](=O)[O-])cc1I 726027170 ORMPDBDMEOHUPW-UHFFFAOYSA-N 449.147 4.158 5 20 IIBD C[C@@H](OC(=O)CC[C@@H](O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 726872940 KZEBLVNAZYCTCQ-FOIQADDNSA-N 428.485 4.276 5 20 IIBD O=C(NCc1cc2ccccc2[nH]1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727601968 FYCQNWLOUCNCPV-UHFFFAOYSA-N 447.417 4.127 5 20 IIBD C[C@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1csc2ccccc12 729987020 SLQKDTKMNRJTDR-AWEZNQCLSA-N 447.538 4.004 5 20 IIBD COc1ccccc1C[C@@H](C)CC(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730708911 SPIQVHAGFLHVNX-MJGOQNOKSA-N 440.496 4.020 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1ccccc1N(C)Cc1ccccc1 731617738 IGRIXCIFZKDWOE-UHFFFAOYSA-N 449.463 4.070 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCSCC2)c(Cl)c1 731752917 DJPHNXHTSZWDLZ-UHFFFAOYSA-N 436.921 4.002 5 20 IIBD O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)Nc1cc([N+](=O)[O-])ccc1OC(F)F 732426042 XTPGZSNGDJVSHP-ZDUSSCGKSA-N 436.198 4.358 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 732646750 JAALYLVEPIAIIP-SDNWHVSQSA-N 428.510 4.494 5 20 IIBD Nc1nc(NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)ncc1[N+](=O)[O-] 735489467 BNHJZJWXGBGKLL-UHFFFAOYSA-N 434.771 4.072 5 20 IIBD COc1ccc([C@H]2[C@H](COC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC(=O)N2C)cc1 735788370 JDMUTVPQFNTETH-JTSKRJEESA-N 440.496 4.277 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Cc1cc(-c2ccccc2)on1 735993958 OWVKNPBFQAEOGZ-UHFFFAOYSA-N 447.451 4.280 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2cccc(Oc3nccs3)c2)c([N+](=O)[O-])c1 736916865 AVGHSIIGOZEWEE-UHFFFAOYSA-N 443.437 4.038 5 20 IIBD CC(C)C[C@@H](NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1 740410355 OTIZMKYHDQNOIM-GOSISDBHSA-N 449.301 4.418 5 20 IIBD COc1ccc([C@H](NCc2cc(F)ccc2[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 742266122 JQRLGEKTZWYNBS-QFIPXVFZSA-N 444.484 4.025 5 20 IIBD O=C(CCC[S@@](=O)c1ccc(Br)cc1)OCCc1ccc([N+](=O)[O-])cc1 745056007 YYKRLNJCHWVXAU-AREMUKBSSA-N 440.315 4.031 5 20 IIBD O=C(COC(=O)c1cc(Oc2ccccc2)ccn1)Nc1cc([N+](=O)[O-])ccc1Cl 745762085 MOMYPOLDTSSFIM-UHFFFAOYSA-N 427.800 4.231 5 20 IIBD CC(C)Nc1ccc(Br)cc1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 746333568 LWMVBKQYRNBNOB-UHFFFAOYSA-N 432.278 4.166 5 20 IIBD COc1cc(CNc2ccc3c(c2)OCCCO3)c([N+](=O)[O-])cc1OCC(F)(F)F 747099088 NSNGNFARRVJHDE-UHFFFAOYSA-N 428.363 4.318 5 20 IIBD C[C@H](OC(=O)c1cccc(Cl)c1[N+](=O)[O-])C(=O)N(C)Cc1nc2ccccc2s1 750533230 NYCMYICQUJDUJW-NSHDSACASA-N 433.873 4.062 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(OCCNC(=O)OC(C)(C)C)cc1 752854430 CFNZOGCALWQIPW-UHFFFAOYSA-N 444.488 4.162 5 20 IIBD Cc1c(Br)cc(C(=O)O[C@@H](C)c2nc(O)c3ccccc3n2)cc1[N+](=O)[O-] 753431461 VRZBYTJYGMXIOB-JTQLQIEISA-N 432.230 4.233 5 20 IIBD CCc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 753433988 RKBVBJLYVPFYAR-LBPRGKRZSA-N 435.274 4.412 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)cc1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 753957733 VHCMFLGYWVMYAA-UHFFFAOYSA-N 425.438 4.190 5 20 IIBD COc1cc(Nc2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c([N+](=O)[O-])cc1OC 754083199 UDUVUWFDGZPSCL-UHFFFAOYSA-N 447.492 4.124 5 20 IIBD Cc1nc(C(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)c(-c2ccccc2)s1 755642632 FUVFVAMDDAUEJS-UHFFFAOYSA-N 438.509 4.495 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N(Cc1ccccc1)C[C@@H](O)c1cccs1 755759516 YIYXHZSBBISPTH-OAQYLSRUSA-N 448.504 4.218 5 20 IIBD CC[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCO1 756105605 SFSINTKTKKYYPL-IEBWSBKVSA-N 431.876 4.188 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2c[nH]nc2-c2cccc(Cl)c2)cccc1[N+](=O)[O-] 756601330 GCYZSEVNNDVSHE-LBPRGKRZSA-N 428.832 4.131 5 20 IIBD Cc1cccc(Cl)c1NC(=O)COC(=O)Cc1ccc([N+](=O)[O-])cc1Br 757717688 LWFSDZUVOZQXEM-UHFFFAOYSA-N 441.665 4.044 5 20 IIBD O=C(N[C@@H]1C[C@@H]1c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1Br 758233040 FINPEYKWUJXNGJ-CHWSQXEVSA-N 440.091 4.406 5 20 IIBD O=C(NC[C@@H](O)c1cccc(OCc2ccccc2)c1)Nc1ccc([N+](=O)[O-])cc1F 758361550 KQTXVNPASLKQCL-OAQYLSRUSA-N 425.416 4.168 5 20 IIBD Cc1c(C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)nnn1-c1cccc(Cl)c1 760499560 DOFGGMUBXLACFW-UHFFFAOYSA-N 439.815 4.149 5 20 IIBD O=C(O[C@H]1CCO[C@H](C2CCOCC2)C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 763117158 DOVHRHYHDWCIJB-REWPJTCUSA-N 440.496 4.338 5 20 IIBD O=C(Nc1cc(-c2nnc3n2CCCCC3)ccc1F)c1cc(F)c([N+](=O)[O-])cc1F 763394745 YFFOMEDCPHTITM-UHFFFAOYSA-N 431.374 4.249 5 20 IIBD COc1cc(C)c(Br)cc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 765202036 QPBGHJJJBONYOA-UHFFFAOYSA-N 438.234 4.452 5 20 IIBD C[C@H](C(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1ccc(Br)cc1 766628116 BGXGLJNFQYCJGW-AWEZNQCLSA-N 448.317 4.316 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 767595149 FQOISAXIXSQYQU-LBPRGKRZSA-N 440.449 4.087 5 20 IIBD C[C@@H](OC(=O)c1csc(-c2ncccc2F)n1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 768659912 OQURKOBWEYXNKN-SNVBAGLBSA-N 441.400 4.220 5 20 IIBD CN(CCC1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1)C(=O)OC(C)(C)C 769750371 AGQGHEDVIPXYGM-UHFFFAOYSA-N 442.516 4.252 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(O)c1 770148794 CWFPJOVGPAMPND-UHFFFAOYSA-N 427.457 4.452 5 20 IIBD C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)CCO1 770267466 GAWREJTWWPFXQC-WIYYLYMNSA-N 437.540 4.351 5 20 IIBD CN(C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 771768560 QBVWANUBYREQTF-UHFFFAOYSA-N 446.426 4.477 5 20 IIBD Cc1cc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])n([C@@H]2CCN(Cc3ccccc3)C2)n1 772273288 ZXTVACWNWQVLCV-MRXNPFEDSA-N 441.438 4.077 5 20 IIBD CC[C@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)C[C@H](O)c1ccc([N+](=O)[O-])cc1 776579706 OEUSLUYTBKMFJH-LIRRHRJNSA-N 439.434 4.386 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1csc(Cc2cccc(F)c2)n1 780184163 KZADPXSPGJHKPK-UHFFFAOYSA-N 430.413 4.005 5 20 IIBD COc1ccc(C(=O)CC(C)(C)C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 780234250 WXZZVRAKGKDTLY-UHFFFAOYSA-N 448.859 4.038 5 20 IIBD CC(C)N(C(=O)COC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C1CCCC1 781258143 PRIWAZBLFZZYAK-UHFFFAOYSA-N 442.462 4.296 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1nc(-c2ccc3c(c2)CCO3)cs1 781595319 NZTUOOSFQILVSB-UHFFFAOYSA-N 440.437 4.133 5 20 IIBD Cc1ccc(N2CC[C@H](NC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])C2=O)cc1 783761512 OHUZRHWAIPTOSN-QFIPXVFZSA-N 445.475 4.018 5 20 IIBD Cc1cc(NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCC(F)(F)F 784958684 PTQHVECRBYMOBP-UHFFFAOYSA-N 431.754 4.075 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)NCc2ccnc(Oc3ccccc3F)c2)cc1[N+](=O)[O-] 786013440 AHPPWKZQDBHZOB-UHFFFAOYSA-N 426.360 4.068 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)c1F 787937791 DBPSEYMIAKMPNX-JTQLQIEISA-N 430.310 4.125 5 20 IIBD Cc1c(C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)nnn1CC1CCCC1 789403507 MERKADXNILTPMZ-UHFFFAOYSA-N 449.467 4.156 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)Oc1ccc(Oc2ncc(Br)cn2)cc1 789729879 DIIRBKQYDAFQTB-UHFFFAOYSA-N 446.213 4.167 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 790664212 BDNNLOKZXFSZDC-GFCCVEGCSA-N 443.903 4.082 5 20 IIBD C[C@H](NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)c1c(F)cccc1F 790671283 GQAUELLJPPLVNQ-JTQLQIEISA-N 440.244 4.464 5 20 IIBD O=[N+]([O-])c1ccc(Br)c2c1CN(Cc1nc(Cc3cccc(F)c3)no1)CC2 792893042 WVPQIZBFRSMXKO-UHFFFAOYSA-N 447.264 4.029 5 20 IIBD CNc1c(C(=O)OC[C@H]2CCC(=O)N(C)[C@@H]2c2cccc(Cl)c2)cccc1[N+](=O)[O-] 793159690 XTRYWQYOFLNBBS-JLTOFOAXSA-N 431.876 4.056 5 20 IIBD O=C(c1cc([N+](=O)[O-])c2nsnc2c1)N1CCCC[C@@H]1c1ncc(-c2ccccc2)[nH]1 793890560 LODSYXIRRDPDOS-QGZVFWFLSA-N 434.481 4.357 5 20 IIBD Cc1nc(SC(F)F)sc1CC(=O)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 796859773 AEQGTUATXNMRRD-NSHDSACASA-N 447.460 4.178 5 20 IIBD C[C@H](OC(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1)C(=O)Nc1ccc([N+](=O)[O-])cc1 797510262 IZHDKNACNWSPCF-NSHDSACASA-N 449.250 4.271 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)CCOc1ccccc1I 800143627 BYAJDADNBWGMSU-UHFFFAOYSA-N 444.200 4.055 5 20 IIBD CC(=O)NCCN(Cc1ccc([N+](=O)[O-])c(Cl)c1)Cc1ccc(Br)s1 800543722 IZHQYXIOCATPIB-UHFFFAOYSA-N 446.754 4.211 5 20 IIBD O=C(CNC(=O)c1sc2ccccc2c1Cl)OCc1c(F)cc([N+](=O)[O-])cc1F 803211402 RTYLTTRAMOVSGN-UHFFFAOYSA-N 440.811 4.214 5 20 IIBD COc1ccc2cc(-c3noc(-c4cc([N+](=O)[O-])ccc4N4CCOCC4)n3)ccc2c1 809299014 FCWVDYPUQVRGGN-UHFFFAOYSA-N 432.436 4.310 5 20 IIBD COc1ccccc1[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 809818571 LUYBLEMNELKODC-NSHDSACASA-N 431.297 4.088 5 20 IIBD CC(C)COC(=O)N1CCC(C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 811216714 NQECKXQQHCSOMX-UHFFFAOYSA-N 447.513 4.266 5 20 IIBD CC(C)[C@@H](NC(=O)c1cccs1)C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811218996 OZYSQACHGWLYEZ-QGZVFWFLSA-N 445.522 4.278 5 20 IIBD O=C(NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)c1cccc(Cl)c1[N+](=O)[O-] 811586773 JJMSVVAHNCQZSG-UHFFFAOYSA-N 440.765 4.333 5 20 IIBD CN1C(=O)C[C@@H](c2nc(CCC(C)(C)[N+](=O)[O-])no2)[C@@H]1c1ccc(Cl)c(Cl)c1 812815664 UVIYEANNJWXTRN-BZNIZROVSA-N 427.288 4.051 5 20 IIBD COc1ccc(Cl)cc1NC(=O)CCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813035646 HPLQDOIKBIKMCZ-UHFFFAOYSA-N 446.674 4.322 5 20 IIBD CCCCCN(CCO)C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 813499690 YXNNVBJDLSUYDF-UHFFFAOYSA-N 433.892 4.125 5 20 IIBD O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 814991875 AKYCUOCCFMDPSO-ZDUSSCGKSA-N 437.880 4.437 5 20 IIBD O=C(N[C@H](C(=O)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccccc1)c1ccco1 815178023 DQQPUXOVRPEKNM-SFHVURJKSA-N 448.353 4.421 5 20 IIBD C[C@@H](N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1ccc(N)c([N+](=O)[O-])c1 815559554 KIRWTJWOKVSJBS-FZKQIMNGSA-N 436.434 4.210 5 20 IIBD CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@H](c1ccccc1)c1ncc[nH]1 817488395 KSELUJLCSVCRDK-MRXNPFEDSA-N 433.237 4.081 5 20 IIBD O=C1/C(=C\NNc2ccc([N+](=O)[O-])cc2)c2ccccc2C(=O)N1c1ccccc1Cl 912741825 IJROCOOPQCBUPQ-AQTBWJFISA-N 434.839 4.393 5 20 IIBD Cc1ccc(OCCC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1C 913328321 VCZIEWYNTFVRHP-UHFFFAOYSA-N 440.374 4.181 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccccc1SC(F)(F)F 914948014 PJIMCLXZZXVXJS-JTQLQIEISA-N 444.387 4.399 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(Cc1ccccc1)Cc1ccccc1 915665444 REZWAKXCRXQSPF-UHFFFAOYSA-N 434.448 4.024 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(c2ncc(Cl)cc2Cl)CC1 916669412 XDGBIGIWSDWKKN-UHFFFAOYSA-N 430.679 4.304 5 20 IIBD C[C@H](OC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C(=O)Nc1ccc(N2CCCCC2)cc1 917330652 DLVDREWGJHZFOF-HNNXBMFYSA-N 436.468 4.250 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)c1cc2cc(F)ccc2[nH]1)c1cccc([N+](=O)[O-])c1 918635984 WFYZFGUOXKOYJQ-SFHVURJKSA-N 439.443 4.457 5 20 IIBD CC(C)N(Cc1cccc(Br)c1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 919955398 XUIFAXFGACJSFH-UHFFFAOYSA-N 430.306 4.484 5 20 IIBD C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCO[C@H](c2ccc(Cl)s2)C1 1116328489 VOZJWNPFFZGAHO-HZMBPMFUSA-N 430.313 4.364 5 20 IIBD COc1ccc(NC(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)c([N+](=O)[O-])c1 1123428279 YOUUZLXMVMMDRO-UHFFFAOYSA-N 438.415 4.317 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@H]4C4CC4)cc3)CCC2)ncc1[N+](=O)[O-] 1786053584 QHFGLGOTNQIGFU-OALUTQOASA-N 434.496 4.092 5 20 IIBD C[C@@H](C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])o3)cc2)CCC1)n1cccc1 1786208249 RKKXHCUOTIAQIC-KAMXEHQASA-N 448.479 4.398 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1)c1cnc2ccoc2c1 1788485321 FNQPQQHYKWIRFH-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)CCC1)c1cscn1 1790621837 AHOCMRAZPVFDKN-UHFFFAOYSA-N 440.456 4.252 5 20 IIBD CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C2)c1ccccc1 1795458280 PLULWICMFJQIRD-AJYBTWMASA-N 439.487 4.180 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1[N+](=O)[O-])C1CCC(F)(F)CC1 1804338692 TXNQVTKHMLAFRN-VMLFRAFSSA-N 447.482 4.072 5 20 IIBD O=C(CC1CCCC1)Nc1cc([C@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)[nH]n1 1816682292 JVPLBMSWBBRFGG-HXUWFJFHSA-N 439.516 4.133 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccsc2)CC1 1825296194 DXBLHCWYMVIFPE-MJICGBHWSA-N 443.525 4.196 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2)CC1 1829874069 XJFHCSXDCRHDFP-QFIPXVFZSA-N 439.487 4.281 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cc(F)c2)CC1 1830084923 XYIVPDGQOWDYJL-GOSISDBHSA-N 447.438 4.013 5 20 IIBD CCOc1ccc(NC(=O)COc2ccc(Br)cc2Cl)c([N+](=O)[O-])c1 11399792 AZRDFWYRVCGRJU-UHFFFAOYSA-N 429.654 4.427 5 20 IIBD O=C(Nc1ccc(OS(=O)(=O)c2cccs2)cc1)c1cc([N+](=O)[O-])ccc1Cl 14100520 AERQAFRWWREEMZ-UHFFFAOYSA-N 438.870 4.330 5 20 IIBD O=C(NC1CCCCCCC1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 15613430 BJCMNEIPWMXNFM-UHFFFAOYSA-N 431.514 4.238 5 20 IIBD Cc1cccc(-c2nc(CC(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cs2)c1 17229568 DXWQUTYZKFUDGW-UHFFFAOYSA-N 445.884 4.405 5 20 IIBD Cc1nc(COc2cccc(C(=O)O[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])c2)cs1 17737630 HXEIUXXWSXVFCT-CYBMUJFWSA-N 441.465 4.123 5 20 IIBD C[C@H]1CCN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c2ccccc2S1 22257576 SRTGSIJLYGEBHT-AWEZNQCLSA-N 427.482 4.200 5 20 IIBD CSc1cccc(NC(=O)[C@H](C)OC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 22558939 FINJKVOLPOXKLU-AWEZNQCLSA-N 429.498 4.101 5 20 IIBD COc1ccc(F)cc1C(=O)O[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 23578072 RSEKRFKIURQNPD-LLVKDONJSA-N 445.428 4.050 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1ccc(SC)cc1 27159830 OYDRYRPYWSRNHO-AUUYWEPGSA-N 447.582 4.046 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCc1cccnc1Oc1cccc(F)c1 32437836 YWGBMPLAMOJHRH-UHFFFAOYSA-N 437.836 4.053 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCc2cccnc2Oc2cccc(F)c2)cc1OC 60401632 HZRMAWRLXHADRH-UHFFFAOYSA-N 441.415 4.259 5 20 IIBD O=C(NCc1cccc(CN2CCCC2)c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 61502657 CAIMBVZFCCIGLQ-UHFFFAOYSA-N 437.418 4.062 5 20 IIBD O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 65127048 PMIMAAFVCAGBLV-GOSISDBHSA-N 436.537 4.360 5 20 IIBD C[C@H]1CCCCN1Cc1ccccc1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 107583972 QGJSDIDDTSKHOD-IBGZPJMESA-N 436.556 4.499 5 20 IIBD COc1cc([C@H](C)NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(OC)c1OC 107640115 NIEYOZODDWRCJG-INIZCTEOSA-N 446.503 4.058 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(N(C)C(C)C)c(F)c2)ccc1[N+](=O)[O-] 110317309 UQFBKHZAVGNENE-OAQYLSRUSA-N 442.491 4.130 5 20 IIBD CNC(=O)c1cccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c1 237052895 UEUGFBLJYSVOPY-UHFFFAOYSA-N 444.285 4.267 5 20 IIBD CSc1ccccc1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 255944948 ZYQNDEJZNHWNIE-UHFFFAOYSA-N 425.432 4.298 5 20 IIBD C[C@@H]1C[C@@H](C)CN(Cc2ccccc2CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 301919536 CFKGNYWUAPCIBE-HUUCEWRRSA-N 437.587 4.150 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(Cc1ccccc1)Cc1cc[nH]n1 426266518 LCONWHFKMXWKOR-UHFFFAOYSA-N 433.390 4.249 5 20 IIBD O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1ccc(Br)cc1[N+](=O)[O-] 429844381 ILTDSTQGYRDAPR-UHFFFAOYSA-N 432.274 4.236 5 20 IIBD O=C(NC[C@H](CO)Cc1ccc(Br)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 430118123 GDBHFKBOCCLPNX-CYBMUJFWSA-N 449.326 4.153 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc3nc(C4CC4)oc3c2)ccc1[N+](=O)[O-] 430528217 XJFWBIAMCNPZHW-IBGZPJMESA-N 434.452 4.165 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(-c3ccc(Cl)cc3)ncn2)c2ncccc12 430665876 NIVAHFVXZPCOMY-UHFFFAOYSA-N 441.856 4.054 5 20 IIBD Cc1cc(N2C(=O)c3ccccc3C2=O)ccc1C(=O)N1CCCc2ccc([N+](=O)[O-])cc21 430950744 SBUPSMBXJRWBFF-UHFFFAOYSA-N 441.443 4.297 5 20 IIBD CC(C)(NC(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1)c1ccc([N+](=O)[O-])cc1 431211392 QLUWIYBOCRRBSM-UHFFFAOYSA-N 441.879 4.158 5 20 IIBD Cc1ccc(C(=O)NC2CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC2)s1 437157306 YFXNABJUOCLRNO-UHFFFAOYSA-N 441.431 4.018 5 20 IIBD C[C@H]1CN(Cc2ccccc2NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@H](C)O1 437296669 YIOOFXJDGFQHDI-KBPBESRZSA-N 437.418 4.475 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 439931839 NPPDJSQEEWLGJO-UHFFFAOYSA-N 446.891 4.027 5 20 IIBD COc1ccc(NC(=O)C(=O)NCc2sc3ccc(Cl)cc3c2C)cc1[N+](=O)[O-] 443341498 LKMXWCXDFXXYSD-UHFFFAOYSA-N 433.873 4.035 5 20 IIBD CCCCC(=O)N1CSC[C@H]1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 444013007 WIRLRPHHSLDHHX-FQEVSTJZSA-N 427.526 4.220 5 20 IIBD C[C@@H](CC(=O)c1cccs1)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444245305 XXEJIINKXXDZPG-NSHDSACASA-N 426.444 4.412 5 20 IIBD C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 444411450 OXMSGHFLDHPHSC-VLIAUNLRSA-N 426.860 4.036 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N(Cc1ncc[nH]1)c1cccc(F)c1 445969808 TYYBSFCWIXIUSQ-UHFFFAOYSA-N 438.337 4.245 5 20 IIBD CCC[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 446161134 JBLKJMQDQVAYDK-JOCHJYFZSA-N 438.528 4.051 5 20 IIBD O=C(CC1CCCCC1)NC1CCC(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 446419586 ORKOMEZUDJKNAL-UHFFFAOYSA-N 427.545 4.125 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 446485448 PSEFXLMALRYMQK-KRWDZBQOSA-N 438.253 4.410 5 20 IIBD CC(=O)c1cc(F)c(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c(F)c1F 461094905 AYDAVBOGYNNQIV-UHFFFAOYSA-N 446.385 4.329 5 20 IIBD CCN(Cc1cccc(F)c1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 461579484 QSUOTTFDFOAHQE-QGZVFWFLSA-N 425.464 4.055 5 20 IIBD CCc1cc(=NC(=O)CSc2ccc(C(C)=O)c(F)c2)c2cc([N+](=O)[O-])ccc2[nH]1 462604026 KEANSSXPRJPURY-UHFFFAOYSA-N 427.457 4.200 5 20 IIBD CCN(CC)[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(OC)c1 463340723 RMELENMNKZNSLS-IBGZPJMESA-N 439.434 4.435 5 20 IIBD CC[C@]1(C)CCCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)C1 464584778 KQBZCOHJBBNIMU-JOCHJYFZSA-N 445.541 4.356 5 20 IIBD Cn1cc(-c2nc3ccccn3c2NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cn1 465455886 AYOXYCZMAHKQJE-UHFFFAOYSA-N 445.464 4.019 5 20 IIBD CN(CC1(c2ccc(Br)cc2)CC1)C(=O)NCCc1ccccc1[N+](=O)[O-] 466154078 NMFKTMGJDHRKGF-UHFFFAOYSA-N 432.318 4.273 5 20 IIBD CN(C(=O)[C@@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2)c1nc(-c2ccccc2[N+](=O)[O-])cs1 467990769 PTQMPJVKBSYNOP-APIJFGDWSA-N 427.404 4.037 5 20 IIBD CC(C)CCSc1ccc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(O)nc2)cc1[N+](=O)[O-] 477682459 ZBDGUXCXSGFGEQ-UZLBHIALSA-N 431.514 4.094 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H]1c1nc2ccccc2n1C(C)C 481448413 NNJFQZPKSANNKI-LJQANCHMSA-N 428.514 4.360 5 20 IIBD C[C@H](C(=O)OC(C)(C)C)c1noc(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 482591749 LNYJMTAFFREQQV-JTQLQIEISA-N 430.383 4.096 5 20 IIBD CC(C)NC(=O)Nc1ccccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 484759524 RSXNQWPWCWEMTC-UHFFFAOYSA-N 428.492 4.323 5 20 IIBD COc1cc(C(=O)Nc2cc(C)cn(C)c2=O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 484841919 HYTUIWSCNJDCJB-UHFFFAOYSA-N 443.843 4.309 5 20 IIBD Cc1ccc([N+](=O)[O-])c(N2CCC(c3nc(-c4ccccc4Br)no3)CC2)n1 487144264 YKQVSSOTYUPHAQ-UHFFFAOYSA-N 444.289 4.495 5 20 IIBD C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 489030216 WLSRJXKBBWRQQX-QGZVFWFLSA-N 435.484 4.248 5 20 IIBD CCC(C)(C)NC(=O)c1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)cc1Cl 489710202 REYOJADPVOPAOW-UHFFFAOYSA-N 429.864 4.295 5 20 IIBD CCOc1cc(CN[C@@H](C)c2cc3c(cc2Br)OCCO3)ccc1[N+](=O)[O-] 492608035 ORDBRJZPFSIKDL-LBPRGKRZSA-N 437.290 4.378 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CSc2ccc(Br)cc21 494577468 FQASCZIOKOKWEN-CQSZACIVSA-N 438.303 4.012 5 20 IIBD CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O 499726512 CQTFIQSDZNNKEA-UHFFFAOYSA-N 449.385 4.084 5 20 IIBD COc1ccc(C(=O)N[C@@H](C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc2)cc1 500080763 GLDBBJZCPUHBQL-UZUQRXQVSA-N 447.491 4.260 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN3CCOC[C@@H]3c3noc(-c4ccccc4)n3)o2)cc1 501728010 XIALOTXNRCLFNG-HXUWFJFHSA-N 432.436 4.478 5 20 IIBD C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ccc(NC(=O)c2ccncc2)cc1 504238467 ADWUEOFQBIRONF-CQSZACIVSA-N 430.420 4.479 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCN(C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 506072361 SSKDOAADUFIERI-KOSHJBKYSA-N 445.523 4.292 5 20 IIBD Cc1cc(N2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)nc(C(C)C)n1 506138896 VJWSLHNTFPUQHP-UHFFFAOYSA-N 438.557 4.262 5 20 IIBD O=C(CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)Nc1ccc(Cl)cc1 507851465 PMHXOFIBSUVHGU-UHFFFAOYSA-N 438.871 4.229 5 20 IIBD CCc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)NCCN(CC)CC)c2)cc1[N+](=O)[O-] 511144136 GREUOPKHEZEWTL-UHFFFAOYSA-N 446.935 4.135 5 20 IIBD COc1ccc(S(=O)(=O)N[C@@H](c2ccc(Cl)cc2)c2ccsc2)cc1[N+](=O)[O-] 512010863 XVOAVXHAHVPLGU-SFHVURJKSA-N 438.914 4.386 5 20 IIBD Cc1sc(NC(=O)CCCNC(=O)c2ccc(F)cc2)nc1-c1cccc([N+](=O)[O-])c1 512310959 UFGPMWSQXZDQRZ-UHFFFAOYSA-N 442.472 4.315 5 20 IIBD Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N(C)CCc3cccc([N+](=O)[O-])c3)c12 512955461 QLCAFCCIBSPSFV-UHFFFAOYSA-N 429.480 4.167 5 20 IIBD CN(C)C(=O)CC1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 513371361 KYSBUSMKCOIWAH-UHFFFAOYSA-N 447.539 4.138 5 20 IIBD COc1ccc2cc(CN(C)C(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)ccc2c1 516044235 BMLXNNPKUKFNCL-UHFFFAOYSA-N 427.844 4.007 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(CCOc2ccccc2Cl)CC1 516272606 SZOYYKLNXBPUEU-UHFFFAOYSA-N 439.299 4.130 5 20 IIBD COc1ccc(-c2ccc(CNc3cc(C(N)=O)ccc3OCC(F)F)o2)c([N+](=O)[O-])c1 517162426 OQWAWSXDJGCLIE-UHFFFAOYSA-N 447.394 4.218 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)[C@H](C)OC[C@H]1CCCO1 519017825 PBNUSCWNOKYWIH-XJKSGUPXSA-N 448.497 4.023 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2cn3cccc(C)c3n2)cc1 521138418 XKHDKLPOLKXMET-UHFFFAOYSA-N 432.436 4.282 5 20 IIBD CCCCN(C1CC(C)(C)NC(C)(C)C1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 521244349 YEMLEBWBKUXBQW-UHFFFAOYSA-N 431.986 4.348 5 20 IIBD CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 522547809 VALLPSNJXPUEPV-KRWDZBQOSA-N 432.908 4.472 5 20 IIBD COC(=O)[C@H](C)NC(=O)c1ccc(N[C@@H](C)c2cccc(Cl)c2Cl)c([N+](=O)[O-])c1 522760165 UJFFBOBBUQOODH-QWRGUYRKSA-N 440.283 4.366 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccc(Cl)c1N1CCOCC1 523884182 LHMSMWILDFHPRY-UHFFFAOYSA-N 440.283 4.146 5 20 IIBD CC[C@@H](C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)Nc1cccc(N2CCCC2)c1 524334446 XJXAELVNLYIJCN-OPAMFIHVSA-N 438.528 4.287 5 20 IIBD COCCCn1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)n1 531863829 NYLNVPTXXMSFNM-UHFFFAOYSA-N 435.278 4.462 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCCc1nc2c(s1)CCCC2 535565031 OVRQQNBPRZZWFI-UHFFFAOYSA-N 442.463 4.110 5 20 IIBD CC(C)[C@H](NC(=O)c1cccs1)C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 537146132 RNUVLPMOBPWQNB-KRWDZBQOSA-N 444.538 4.197 5 20 IIBD CC[C@@H](NCc1ccccc1CS(=O)(=O)N1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 537953735 GQCMTIDMKKSEOW-HSZRJFAPSA-N 445.585 4.397 5 20 IIBD O=C(NC1CCCCC1)N1CCC(N[C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 537974501 FKZBZWSVUFNPKR-GCJKJVERSA-N 428.577 4.402 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1CN(Cc2ccccc2)CCO1 538255004 YWPFMBNMGAWARN-DYESRHJHSA-N 443.569 4.115 5 20 IIBD CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 538902583 AAUCLJNZPKGQPE-PIGZYNQJSA-N 430.354 4.181 5 20 IIBD Cc1ccc([C@H](NCCOc2ccc([N+](=O)[O-])cc2)c2cccc(S(C)(=O)=O)c2)cc1 540912314 ZSZNNBJFCHZEGC-QHCPKHFHSA-N 440.521 4.065 5 20 IIBD Cc1c(NC(=O)[C@H](C)N[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)cccc1[N+](=O)[O-] 541614285 MFXDZNWDMRFGDM-GJZGRUSLSA-N 425.464 4.214 5 20 IIBD C[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H](C)c1ccccc1C(F)(F)F 542561012 PZDWLCAIIIZCJT-NEPJUHHUSA-N 439.390 4.063 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 543490998 PGFBZQXOADTVFT-DVECYGJZSA-N 430.479 4.330 5 20 IIBD CN1CCN(c2ccccc2-c2noc(-c3csc(-c4ccc([N+](=O)[O-])cc4)n3)n2)CC1 544969529 PGCIKTXKIGAFJJ-UHFFFAOYSA-N 448.508 4.187 5 20 IIBD O=[N+]([O-])c1ccc2c(ccn2Cc2nc(Cc3ccc(Oc4ncccn4)cc3)no2)c1 545685953 RJXUDNJIKHLBCN-UHFFFAOYSA-N 428.408 4.154 5 20 IIBD COc1cc(CN[C@H](C)c2ccc(-n3cccn3)c(F)c2)c([N+](=O)[O-])cc1OC(F)F 549840712 MSBAIJVKKLWCDB-GFCCVEGCSA-N 436.390 4.380 5 20 IIBD O=C(N[C@@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1)c1c[nH]nc1[N+](=O)[O-] 554871270 QVDRLTBZIAZNQF-INIZCTEOSA-N 438.337 4.026 5 20 IIBD COC(=O)CCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 556081663 UTGHAZKABJPYAC-UHFFFAOYSA-N 426.347 4.198 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 557118921 XWNSOPWHRIYTIY-GBXCKJPGSA-N 445.475 4.419 5 20 IIBD Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N(C)CCc3ccccc3[N+](=O)[O-])c12 561008462 UADVADCQESGTFD-UHFFFAOYSA-N 435.509 4.228 5 20 IIBD COc1cc(CCNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])ccc1Cl 567483584 JGVMJWFQUWFJBX-UHFFFAOYSA-N 432.782 4.170 5 20 IIBD C[C@@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(Cc2ccc(Cl)cc2[N+](=O)[O-])C1=O 569028687 PWALKYQLEPZYBN-KRWDZBQOSA-N 427.766 4.234 5 20 IIBD O=C1NCc2c(NCc3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)cccc21 572590224 NJLUFBVHIRYFBH-UHFFFAOYSA-N 425.448 4.303 5 20 IIBD C[C@H](Nc1ccccc1NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1ccccc1 573148222 BCOHAHJUUUMGDA-HNNXBMFYSA-N 439.493 4.424 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(F)c1Cn1cccc(C)c1=O 575023972 NWWZWFFHNFIQBK-SFHVURJKSA-N 437.471 4.460 5 20 IIBD Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 577124682 HIONBTDZOKTZQX-UHFFFAOYSA-N 435.358 4.386 5 20 IIBD O=C(NC[C@H](NCc1ccccc1)c1ccco1)c1ccc(Br)cc1[N+](=O)[O-] 586875412 NKKJILKOEFHMNW-KRWDZBQOSA-N 444.285 4.211 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CNCc2c(F)c(F)cc(F)c2F)c1 589315527 ZCNODWZCMJMRGM-UHFFFAOYSA-N 440.134 4.046 5 20 IIBD COC(=O)[C@H]1CN(C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)c2ccccc2O1 603277660 RYEMLMKFXNOYMI-LJQANCHMSA-N 444.509 4.314 5 20 IIBD Cc1c(C(=O)N(C)[C@H](C)c2cccc(C(F)(F)F)c2)nnn1-c1cccc([N+](=O)[O-])c1 603522237 XRKSYLVXXCKULF-GFCCVEGCSA-N 433.390 4.336 5 20 IIBD CCOc1ccc([C@@H]2CCCN2C(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 603801983 KBIXIKJPUDLSES-IBGZPJMESA-N 443.500 4.100 5 20 IIBD O=C(N[C@@H]1CCN2CCC[C@@H]2C1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 603919635 SXOCEDWWWKJBKM-QZTJIDSGSA-N 428.920 4.217 5 20 IIBD CCOc1ccc(-c2noc(CSCc3cc([N+](=O)[O-])cc4c3OCOC4)n2)cc1 604060643 LMYKISHPOKSXFL-UHFFFAOYSA-N 429.454 4.343 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 604079955 HCEBBSBXAFRIGB-AWEZNQCLSA-N 433.306 4.314 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cnn(C[C@H]3CCCO3)c2)cc1 604099549 QQJMRPUZKGFFPV-LJQANCHMSA-N 438.440 4.024 5 20 IIBD CN(CCCCCc1cc(-c2ccccc2)n[nH]1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 604126493 CZRCDMDEXKXRQS-UHFFFAOYSA-N 442.541 4.160 5 20 IIBD COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2F)cc1[N+](=O)[O-] 609198502 UDHXBWAUMLKCAG-UHFFFAOYSA-N 430.457 4.134 5 20 IIBD CN(C)CCN1CCC(CNCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 609223450 SPUNQGLDGXQUKW-UHFFFAOYSA-N 446.979 4.404 5 20 IIBD O=c1onc(-c2cccc(Oc3ccccc3)c2)n1Cc1cc([N+](=O)[O-])cc2c1OCOC2 609496136 WZSUOWQSIQKRHH-UHFFFAOYSA-N 447.403 4.119 5 20 IIBD O=C(N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 609647120 WAUSMTVXYBEKHC-QGZVFWFLSA-N 448.445 4.223 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N(C)C2CCC(OC)CC2)c([N+](=O)[O-])c1 609674458 FWWMLNQQYWLUJY-UHFFFAOYSA-N 426.469 4.006 5 20 IIBD COc1ccc(NC(=O)CNc2ccccc2[N+](=O)[O-])cc1NC(=O)C1CCCCC1 609701716 PQCCLOOWBVFIRD-UHFFFAOYSA-N 426.473 4.173 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CC[C@]2(C1)C(=O)Nc1ccccc12 614547261 YTMHYTKZOVKKLR-XMMPIXPASA-N 445.500 4.482 5 20 IIBD CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 725746088 CBXHFPULCWHTKD-INIZCTEOSA-N 446.529 4.190 5 20 IIBD C[C@H](Oc1ccccc1C(F)(F)F)C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 727203097 OBBHIDDXPYTGBA-NSHDSACASA-N 437.330 4.174 5 20 IIBD O=C(Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-])[C@@H]1CCCN1C(=O)OCC(F)(F)F 727957890 VDEVHFPCADEVDU-HNNXBMFYSA-N 438.358 4.331 5 20 IIBD COc1ccc(CNC[C@@]2(O)CCCc3ccccc32)cc1OCc1ccc([N+](=O)[O-])cc1 731360945 QUGCLRGHNPAHGW-SANMLTNESA-N 448.519 4.496 5 20 IIBD O=C1[C@@H](Nc2ccc(Oc3ccc(Cl)nn3)cc2)CCN1c1cccc([N+](=O)[O-])c1 733322728 SCQFXOHHEDADCO-KRWDZBQOSA-N 425.832 4.048 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CNC[C@H](O)c3ccc(OC(F)(F)F)cc3)cs2)c1 733326328 WZOZIXQWMMVTAT-KRWDZBQOSA-N 439.415 4.440 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 735025915 AHOSUGYPAHBCDH-MUUNZHRXSA-N 440.518 4.116 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)cc([N+](=O)[O-])c1 736196227 UBXQPLHDOZRCAT-OAQYLSRUSA-N 446.415 4.088 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CCCCC[C@@H]1c1ccco1 736640678 IPHCQXDBEWKUPG-CYBMUJFWSA-N 429.292 4.256 5 20 IIBD CC[C@H](c1ccncc1)N(CC)C(=O)c1ccc(I)c([N+](=O)[O-])c1 739661406 QLZFTOIXHHUSPH-OAHLLOKOSA-N 439.253 4.208 5 20 IIBD O=C(N[C@@H](c1ccccc1)C1CCOCC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 743614285 BEOYHLOQFKMLDJ-QHCPKHFHSA-N 439.512 4.316 5 20 IIBD CC[C@@H](OC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)c1ccc(Cl)cc1 744509772 UIVGQOAAMWKANR-LJQANCHMSA-N 427.844 4.411 5 20 IIBD CC(C)CO[C@H](C)c1noc(COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)n1 744553750 HDCRGUHPCUULAQ-OAHLLOKOSA-N 432.477 4.059 5 20 IIBD C[C@@H](OC(=O)CCOc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1ccc2ccccc2c1 744731554 OXFDXULFZWNSIJ-IAGOWNOFSA-N 436.464 4.326 5 20 IIBD COc1ccc(C2(C(=O)O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CCCC2)cc1 744888265 PDYPHGZWGMOORW-INIZCTEOSA-N 426.469 4.294 5 20 IIBD CCN(CC)[C@@H](C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 744996408 IWMKIQPPMFVMJR-AUUYWEPGSA-N 433.892 4.202 5 20 IIBD C[C@H](OC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 745743580 QSNKWWIJXKLVIW-XXFAHNHDSA-N 445.230 4.035 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N(Cc1ccccc1[N+](=O)[O-])C1CC1 747093884 MUXCPRYMQZEJNE-UHFFFAOYSA-N 439.346 4.249 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1cccc(-n2cccc2)c1 747572561 BZLWUJQPDKIILS-UHFFFAOYSA-N 431.452 4.486 5 20 IIBD CC(C)(C)OC(=O)NC(C)(C)C(C)(C)C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 748146203 IAUOJUDFCTVIJT-UHFFFAOYSA-N 448.476 4.018 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CCO[C@@H](c2ccccc2F)C1 749419071 LRQHXDTXARBYBP-OAHLLOKOSA-N 443.656 4.364 5 20 IIBD CC(C)(C)c1ccc(C(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1[N+](=O)[O-] 750435582 YSGTWJMHKILOJO-UHFFFAOYSA-N 442.472 4.269 5 20 IIBD O=C(OCc1nc(-c2cc(Br)cs2)no1)c1cccc(Cl)c1[N+](=O)[O-] 750540021 DZPXKZXEOCSLPZ-UHFFFAOYSA-N 444.650 4.479 5 20 IIBD COc1cc(C(=O)OCc2nc(C)sc2C)c([N+](=O)[O-])cc1OCc1cscn1 751686525 FUFZVVYUHVEHEC-UHFFFAOYSA-N 435.483 4.069 5 20 IIBD COc1cc(N2CCC(OC(=O)/C=C/c3ccc4ccccc4n3)CC2)ccc1[N+](=O)[O-] 752185020 UDJCRUBFGYKTKM-DHZHZOJOSA-N 433.464 4.377 5 20 IIBD COc1cccc(C(=O)O[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)n1 752573271 KPKFZFIPHJOTPZ-LJQANCHMSA-N 441.827 4.189 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cc(F)cc(C)c3[N+](=O)[O-])cc2)cc1 753077451 UNDDUBHPLBMREY-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1Cc1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 753641560 XKAQPVIRLDRQFG-UHFFFAOYSA-N 433.420 4.062 5 20 IIBD CC(=O)OCCCc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1 753718718 RMSANHPFFRFWMN-UHFFFAOYSA-N 435.274 4.034 5 20 IIBD C[C@H]1CN(Cc2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2Br)C[C@H](C)O1 753800277 VRIQSLVEJRKWDW-KBPBESRZSA-N 448.317 4.219 5 20 IIBD C[C@@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F)c1ccc([N+](=O)[O-])cc1F 754105037 IOHVBNMNUDUKQZ-LLVKDONJSA-N 429.326 4.337 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCCN(Cc2ccccc2)CC1 755021232 BOXURNDMTYGRLY-UHFFFAOYSA-N 433.306 4.097 5 20 IIBD C[C@@H](OC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccc(Br)cc1 755069151 UYUYSPKZKNGDDC-GHMZBOCLSA-N 439.237 4.170 5 20 IIBD C[C@@H](OC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1)c1ccccc1[N+](=O)[O-] 755760382 FLAOERAYVWPGKO-FZKQIMNGSA-N 447.285 4.153 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccsc2)cc1[N+](=O)[O-] 757438045 SMPPVDUXFHOHDS-FQEVSTJZSA-N 441.465 4.249 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(CC(F)(F)F)cc2)ccc1Br 760360229 JZNVTFMPSZQCLB-UHFFFAOYSA-N 439.209 4.263 5 20 IIBD O=C(c1ccccc1)c1ccc(N2CCOC[C@@H]2C[C@@H](O)c2ccccc2)c([N+](=O)[O-])c1 763377077 CPDDQWWAVLTEDD-XUZZJYLKSA-N 432.476 4.155 5 20 IIBD C[C@H](C(=O)OCc1nc(Cc2cccc(Br)c2)no1)c1cccc([N+](=O)[O-])c1 763423510 JYOCIVWAOXBFMX-LBPRGKRZSA-N 446.257 4.178 5 20 IIBD O=C(Nc1ccccc1CS(=O)(=O)c1ccccc1)c1cc(F)c([N+](=O)[O-])cc1F 763467088 MZLHZKLTTPSWAT-UHFFFAOYSA-N 432.404 4.099 5 20 IIBD O=C(Nc1nnc(/C=C/c2ccco2)s1)c1cc(F)cc([N+](=O)[O-])c1Br 765341445 XKLNATGKHLYQRY-ONEGZZNKSA-N 439.222 4.364 5 20 IIBD COc1cc(COC(=O)Cc2c[nH]c3cc(Br)ccc23)c([N+](=O)[O-])cc1F 766215199 JYBYRFLGJOATKK-UHFFFAOYSA-N 437.221 4.272 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)c1ccc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])cc1 766319281 ADSKOTLWLOCSKN-HNNXBMFYSA-N 449.529 4.165 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ccc(N2CCc3sccc3C2)cc1 766322680 SEHJCYIXMQHVDE-UHFFFAOYSA-N 443.550 4.203 5 20 IIBD O=C(O[C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 768095368 YDWZASXIRPMSCC-INIZCTEOSA-N 440.399 4.066 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)C(F)(F)F 768740639 CRYJPCFNEURYRW-ICSRJNTNSA-N 434.418 4.324 5 20 IIBD C[C@@H](OC(=O)[C@H](F)c1ccccc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 769159236 BOMDZKIOJDOHJG-SJKOYZFVSA-N 429.429 4.299 5 20 IIBD O=C(Nc1ccccc1C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc(Cl)cc1 769624107 PWGDVSCYIGDFDL-UHFFFAOYSA-N 449.854 4.307 5 20 IIBD COc1cc(C)c(Br)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C 769629667 AJMRPOWJEVHTGI-UHFFFAOYSA-N 449.710 4.437 5 20 IIBD O=C(OCc1coc(-c2cccc(Cl)c2)n1)c1cc(Br)ncc1[N+](=O)[O-] 769841382 YAEDKYHXPABKKD-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD CSc1cccc(C(=O)Oc2cc(C(=O)N3CCSCC3)ccc2C)c1[N+](=O)[O-] 776812343 HFBMHVFZCUOSTH-UHFFFAOYSA-N 432.523 4.033 5 20 IIBD CC1=C(C(=O)Nc2ccc(C)c(Cl)c2)[C@H](c2ccc([N+](=O)[O-])cc2F)NC(=S)N1 777944576 RYWUSGZREGKLLU-KRWDZBQOSA-N 434.880 4.127 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O 780012867 PECGCWWAVVUEHO-LJQANCHMSA-N 427.526 4.018 5 20 IIBD CC(C)n1cc2c(n1)[C@@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])CCC2 780397030 HPRUXGNOXCBNBZ-AWEZNQCLSA-N 432.424 4.155 5 20 IIBD C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 782379040 HRPKKZHZCHOSAW-NSHDSACASA-N 437.330 4.174 5 20 IIBD O=C(CCN1CCCCC[C@@H]1C[C@@H](O)c1cccs1)Nc1cc([N+](=O)[O-])ccc1F 782507906 WLUXSVOQUWNXJI-DNVCBOLYSA-N 435.521 4.492 5 20 IIBD Cc1cc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cnc1Br 783550122 WBUQXNATXAQAQJ-UHFFFAOYSA-N 434.168 4.254 5 20 IIBD Cc1ccc(F)c(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1Br 785131601 FVAKUKBBAOFBAD-LLVKDONJSA-N 439.237 4.297 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(Cn2ccnc2[C@H](O)c2ccc(F)cc2)cc1OC 786756158 ASLMMWLWLZEXKK-IVZQSRNASA-N 443.475 4.494 5 20 IIBD Cc1ccc(OCC(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1C 788142177 MNCVIBCEPQNTEN-CYBMUJFWSA-N 440.374 4.180 5 20 IIBD COc1nc(Br)ccc1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 789413587 UJZDPJBNVRWRNE-UHFFFAOYSA-N 445.067 4.084 5 20 IIBD COC(=O)COc1ccc(CN2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1[N+](=O)[O-] 789538214 IVULLEALNAOCRG-INIZCTEOSA-N 438.402 4.155 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccc(Cl)cc1C(=O)N1CCCC1 790822243 MLDNGYHFYYIDDP-UHFFFAOYSA-N 440.258 4.458 5 20 IIBD O=[N+]([O-])c1cccc(Br)c1CNc1ccc(Cc2nnc3n2CCC3)cc1 790995187 HHPBTKDXIVFJAA-UHFFFAOYSA-N 428.290 4.098 5 20 IIBD O=C(Cc1c[nH]c2ccc(F)cc12)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791174871 QRPPSQZKZUPJNW-UHFFFAOYSA-N 432.249 4.105 5 20 IIBD C[C@H](OC1CCCCCC1)C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791175196 WYCKLUNUAKZLEZ-ZDUSSCGKSA-N 425.323 4.370 5 20 IIBD C[C@H](Nc1ccc(F)cc1OC1CCOCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 794742169 ROJAWCLORPLTOI-LBPRGKRZSA-N 437.855 4.384 5 20 IIBD O=C(C[C@@H]1CCCN1S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)c1ccccc1 809396847 GMHQKGNXNOLOCF-ZDUSSCGKSA-N 443.308 4.328 5 20 IIBD CC(C)c1scnc1C(=O)O[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 811265398 MMIDCTRHFCJFIH-LLVKDONJSA-N 446.510 4.482 5 20 IIBD O=C(CCN1CCC[C@@H]1c1ccc(Br)cn1)Nc1cc([N+](=O)[O-])ccc1F 815112096 VSVUJBBLFKZINW-QGZVFWFLSA-N 437.269 4.057 5 20 IIBD CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 815229036 AMYRIDFQWPVHAL-ZDUSSCGKSA-N 431.411 4.085 5 20 IIBD COC(=O)C12CCC(C(=O)OCCOc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)(CC1)CC2 815922208 GYBJIUSPAHFJGG-UHFFFAOYSA-N 445.390 4.049 5 20 IIBD Cc1c(C(=O)O[C@H](c2nc3ccccc3o2)C(F)(F)F)nnn1-c1cccc([N+](=O)[O-])c1 816062759 VXMKGWCBAFHYQF-MRXNPFEDSA-N 447.329 4.086 5 20 IIBD O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C/c1cc2ccccc2nc1N1CCCCC1 912754181 ZMATWHUVCWOKJX-RCCKNPSSSA-N 428.448 4.478 5 20 IIBD CC(=O)Nc1cccc(NC(=S)/C(=C(/O)c2ccc([N+](=O)[O-])cc2)[n+]2cccc(C)c2)c1 913141501 YBOMESWMOMEPHL-UHFFFAOYSA-O 449.512 4.472 5 20 IIBD CC(C)CCN(C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C1CC1 913204684 NRGVXPMTUBXZDK-UHFFFAOYSA-N 432.498 4.013 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc(OCC(F)(F)F)cc2)cccc1[N+](=O)[O-] 914981627 MTVRDYGHINRDKT-LBPRGKRZSA-N 426.347 4.028 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(Cc1cccs1)Cc1cccs1 915662601 BQEYDDFGTSTLIJ-UHFFFAOYSA-N 446.506 4.147 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)cc([N+](=O)[O-])c1 917805622 ABKVBKZRNQGWME-UHFFFAOYSA-N 439.468 4.038 5 20 IIBD COc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 917849365 SRIURSNXKOJWJW-UHFFFAOYSA-N 447.852 4.256 5 20 IIBD CC(C)(C)OC(=O)N1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 918378095 WAQFYAASNLCKFQ-UHFFFAOYSA-N 441.484 4.470 5 20 IIBD COc1cc(C(=O)O[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c([N+](=O)[O-])cc1OC 918803433 OKMBCLRKQZVZSL-NSHDSACASA-N 431.376 4.028 5 20 IIBD CCOc1ccc([C@H]2CCCN2C(=O)COC(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc1 918814569 BILLWRRLOMLZGZ-GOSISDBHSA-N 444.509 4.236 5 20 IIBD CCNC(=O)c1ccccc1NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 919713543 XEYOHXARLNIGOQ-OAHLLOKOSA-N 433.468 4.165 5 20 IIBD COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 921011123 PEQPJORGWNUOKR-OAQYLSRUSA-N 439.399 4.365 5 20 IIBD CCOc1ccc(Br)cc1S(=O)(=O)Oc1cc(Cl)ccc1[N+](=O)[O-] 921067004 RNJLSAHQQSLPKA-UHFFFAOYSA-N 436.667 4.177 5 20 IIBD CCn1cc([C@@H]2C[S@@](=O)CCN2Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cn1 1255764811 MZCRMMXJYKBBGS-ADSBAMQRSA-N 448.932 4.030 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)c1 1322566101 XAJZASAIRQFFJG-FQEVSTJZSA-N 434.496 4.111 5 20 IIBD Cc1ccc(OC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c2c1[C@@H](C)CC2=O 1515158411 MYFIUOKFTLKELH-LBPRGKRZSA-N 438.465 4.092 5 20 IIBD CC(C)=CCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)CC2 1822734435 KQRBNZNXMCCPSB-ZDUSSCGKSA-N 446.504 4.163 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CC=CCC2)CC1 1824099465 APTQQHDDGANNOI-GGAORHGYSA-N 439.556 4.113 5 20 IIBD Cc1ccoc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830618176 ZNUGUCQYMJKKQG-HXUWFJFHSA-N 443.475 4.182 5 20 IIBD C/C=C(/C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(F)ccc([N+](=O)[O-])c2C)CC1 1830729322 MIEWHIHDTFKVNR-UBQIGYKKSA-N 431.508 4.242 5 20 IIBD C/C=C(/C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1831347079 QSCGTFOLOZSQAO-WGXIIKRPSA-N 427.545 4.113 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)Cc1ccc(Cl)c(Cl)c1 11119612 PQCQXOWJIUXJKL-JTQLQIEISA-N 427.240 4.023 5 20 IIBD CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 11357233 BVCXSIJTGOFEKI-UHFFFAOYSA-N 433.511 4.139 5 20 IIBD CCCOc1c(Br)cc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1OC 45716226 APBLRYYRJCSQPZ-UHFFFAOYSA-N 437.290 4.427 5 20 IIBD COc1ccc(N(C)C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cn1 58270756 GHMILTXWFAFPLE-UHFFFAOYSA-N 443.463 4.057 5 20 IIBD CCn1c(SC[C@@H](O)COc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1 61717121 LBICTPYLSGZBLS-INIZCTEOSA-N 434.905 4.059 5 20 IIBD C[C@@H](NC(=O)c1cccc(NC(=O)c2ccc3[nH]cnc3c2)c1)c1cccc([N+](=O)[O-])c1 62266501 CNOWGHYZQNLSOS-CQSZACIVSA-N 429.436 4.214 5 20 IIBD CC(C)N(CC(=O)N(C)Cc1ccccc1Br)Cc1ccc([N+](=O)[O-])cc1 64350357 MAQLIGBBOUBGFM-UHFFFAOYSA-N 434.334 4.226 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@H](c3nc(C)no3)C2)cc1 65103804 YKBAVNVDRDCXKE-HNNXBMFYSA-N 438.440 4.107 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)cc([N+](=O)[O-])c1 71959773 UKDFTXRGGYQVKK-UHFFFAOYSA-N 434.383 4.316 5 20 IIBD Cc1cc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)n(-c2ccc([N+](=O)[O-])cc2)n1 105526139 PMDFCGRDQIEJMG-ZDUSSCGKSA-N 445.273 4.257 5 20 IIBD O=C(c1cccc(Cl)c1)N1CCCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 108931649 DJAUXVYQGLHSJJ-UHFFFAOYSA-N 438.709 4.363 5 20 IIBD C[C@H](CN(C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C1CC1)C(=O)O 237381534 DVDVZLWVTYQQFQ-CYBMUJFWSA-N 431.876 4.186 5 20 IIBD Cc1cccc([C@H](Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])c2ccccn2)c1 301862334 DYXAZNIMZFGYHA-QFIPXVFZSA-N 427.464 4.464 5 20 IIBD C[C@@H]1SCCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)[C@H]1C 303684247 JYEKSAXYAYLCFV-STQMWFEESA-N 431.480 4.182 5 20 IIBD Cc1c(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)nnn1CCOc1ccc(F)cc1 410231663 FZXWVGXCRWFCDD-UHFFFAOYSA-N 427.436 4.089 5 20 IIBD O=C(NCC(F)(F)F)[C@H]1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 428487705 WPZHMAWBLASKJM-AWEZNQCLSA-N 441.381 4.027 5 20 IIBD O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 428552555 VOMRSEVWFDLAFE-QFIPXVFZSA-N 446.507 4.026 5 20 IIBD C[C@@H](CN(C)c1ccc([N+](=O)[O-])c(N(C)C[C@@H](C)c2nccs2)n1)c1nccs1 433770941 LEDQOLQFLKJHQO-UONOGXRCSA-N 432.575 4.383 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])C(F)(F)F 434644261 FNHBBGHPTNCPEL-FQEVSTJZSA-N 447.417 4.229 5 20 IIBD CCC[C@H]1CCc2nc(NC(=O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)sc2C1 434995503 IGRNPKCHCWRCSB-HNNXBMFYSA-N 444.557 4.332 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cc(F)c(F)cc2Br)cc([N+](=O)[O-])c1 435251351 GBGINXLUBYVABD-UHFFFAOYSA-N 429.173 4.065 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N(CC2CCC2)[C@@H](C)CO)cc1[N+](=O)[O-] 435850904 JCSHCTDDARGKAJ-HNNXBMFYSA-N 442.537 4.171 5 20 IIBD COc1cc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)ccc1NC(C)=O 436078915 ZHPLUFLIUHXCKY-UHFFFAOYSA-N 437.402 4.179 5 20 IIBD O=C(NCc1nc(-c2cccs2)no1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436316495 XERZWIZYHKYYIC-UHFFFAOYSA-N 438.415 4.001 5 20 IIBD Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 437467567 NHZNCXODXRSCBS-XUZZJYLKSA-N 437.540 4.404 5 20 IIBD Cn1cccc(NC(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)c1=O 438308123 SAMZYAZUKVVPBH-UHFFFAOYSA-N 446.822 4.200 5 20 IIBD CCCN(C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1cccc([N+](=O)[O-])c1 441468062 FYLVCGROOSPYAS-UHFFFAOYSA-N 431.439 4.168 5 20 IIBD CC(C)CN1CCC[C@@H](CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 444254267 SBMLTFAUVZNQAM-HNNXBMFYSA-N 427.495 4.057 5 20 IIBD COC(=O)c1ccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c(OC)c1 444374325 ADGTVJNVELUKOC-GASCZTMLSA-N 441.484 4.125 5 20 IIBD C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 444410704 NHBNVMZOXJMMEA-KSFYIVLOSA-N 443.931 4.453 5 20 IIBD Cc1cc(C)c(NC(=O)Cc2noc(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)c(C)c1 445340674 GJWDPXTXRNYULB-UHFFFAOYSA-N 435.484 4.351 5 20 IIBD C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 446041809 FKOLOSGSFHGDIH-MRXNPFEDSA-N 446.345 4.195 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 446077594 FKKMUIBJNMKBOL-UHFFFAOYSA-N 446.301 4.157 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc1[N+](=O)[O-])c1ccccn1 448196296 JLKBAOQHMMANPB-GWJPWWOOSA-N 449.555 4.252 5 20 IIBD Cc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1NC(=O)Cn1cc([N+](=O)[O-])cn1 460340742 KVICMEDKVDWQCX-UHFFFAOYSA-N 436.447 4.475 5 20 IIBD CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCc2ccc(Cl)cc2C1 460688204 CTFAPMQSNZADOQ-UHFFFAOYSA-N 441.919 4.496 5 20 IIBD CO[C@@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 462402008 SEFWAUZJAKOBRP-AWEZNQCLSA-N 439.704 4.221 5 20 IIBD CN(Cc1nccn1Cc1ccccc1)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 464279996 YKWBYTGHADGEAQ-UHFFFAOYSA-N 448.401 4.053 5 20 IIBD CC[C@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1nc(C(F)(F)F)cs1 465267967 UOTAKSVKNIBOIN-ZDUSSCGKSA-N 439.419 4.352 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 466273226 QOOUPXZEZVHBEM-ZDUSSCGKSA-N 442.825 4.195 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(S(=O)(=O)c2ccccc2)s1 466281827 WVVBVFSLHDAVTN-UHFFFAOYSA-N 436.898 4.073 5 20 IIBD COCC1(O)CCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC1 467997719 FQYNGUIPJHNJGH-UHFFFAOYSA-N 436.917 4.013 5 20 IIBD C[C@@H](C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C)c1ccc([N+](=O)[O-])cc1F 469493167 BZBADEVGUGUMRD-KZULUSFZSA-N 427.398 4.275 5 20 IIBD Cc1cc(I)ccc1NC(=O)COc1c(Cl)cccc1[N+](=O)[O-] 471287765 OWPYSADSEIFTTD-UHFFFAOYSA-N 446.628 4.179 5 20 IIBD COc1cc(OCC(=O)Nc2ccc(N3CCCCC3)c3ncccc23)ccc1[N+](=O)[O-] 471436155 LTECSVMTDDBUBB-UHFFFAOYSA-N 436.468 4.159 5 20 IIBD CCOC(=O)CN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)c1cc(Cl)cc(Cl)c1 471854795 CGIZTBXSJCDCHP-UHFFFAOYSA-N 427.240 4.120 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NCCc1cccc(-c2ccccc2)c1 472447387 LEFVKPYLBPBDEB-UHFFFAOYSA-N 437.883 4.004 5 20 IIBD Cc1ccc(-c2noc([C@H](C)NC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1F 472555277 HTAAUTKJGSSNCT-LBPRGKRZSA-N 448.838 4.392 5 20 IIBD CC(C)(C)OC(=O)c1ccsc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 474777859 XAMBZZUHFKMVQB-UHFFFAOYSA-N 431.514 4.467 5 20 IIBD O=[N+]([O-])c1cc2c(cc1S(=O)(=O)Nc1ccccc1SC1CCCC1)OCCO2 476762949 RBXINGMQASFTCY-UHFFFAOYSA-N 436.511 4.202 5 20 IIBD CO[C@]1(C)CCCN(c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])CC1 480827235 LVJSSLUMBFYRKB-JOCHJYFZSA-N 447.557 4.408 5 20 IIBD COC(=O)c1cc(OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)ccc1[N+](=O)[O-] 481987067 WFZOVUFXAXVDKX-UHFFFAOYSA-N 433.631 4.359 5 20 IIBD CCO[C@@H]1C[C@H](NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])[C@@H]1OC 483407569 MZYLUENWYXFGJP-FCEWJHQRSA-N 436.917 4.322 5 20 IIBD CC(C)(C)c1ccc(NC(=O)NC[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)cc1[N+](=O)[O-] 485482382 QOLKOMMLHTVTHZ-PBHICJAKSA-N 429.477 4.195 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)c1 485840750 FTEKZECEVCNZNH-UHFFFAOYSA-N 433.445 4.370 5 20 IIBD CC(C)(C)[C@H]1C[C@@H](Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])CCO1 487076077 QFWVBOZSBYMLFF-OXJNMPFZSA-N 433.530 4.401 5 20 IIBD C[C@@H]1CN(c2cccc3cnccc23)CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 487616055 GTXHDSBLKDCCDD-GOSISDBHSA-N 445.523 4.094 5 20 IIBD CC[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1OCC(=O)N1CCCC1 488239484 QFQLCNGODZPENZ-SFHVURJKSA-N 445.903 4.131 5 20 IIBD COc1cc(Br)cc(C)c1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 488251340 OBKJICIISZQZTI-UHFFFAOYSA-N 431.246 4.112 5 20 IIBD CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 488974536 BHDAVAFDXMTKRD-NRFANRHFSA-N 439.560 4.089 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(CCO)Cc1cccc(Br)c1 489116373 MYSJUAUMBZMEPL-UHFFFAOYSA-N 447.207 4.011 5 20 IIBD Cc1nc(CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)oc1-c1ccc(Cl)cc1 490161934 SOAZZJVTTJIMIE-UHFFFAOYSA-N 437.843 4.327 5 20 IIBD CCOc1cc2c(cc1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)OCCO2 490622442 BECRFKLWLJXEDL-UHFFFAOYSA-N 437.246 4.088 5 20 IIBD O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 490816588 CQABAJRCEJWBIU-UHFFFAOYSA-N 433.390 4.093 5 20 IIBD Cc1ccc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(OC[C@@H]2CCCO2)c1 491410422 QTHDYEYHCURSEK-QFIPXVFZSA-N 439.512 4.335 5 20 IIBD COc1cc(CNCC[C@]2(O)C[C@H]3CC[C@H]2C3)c([N+](=O)[O-])cc1OCc1ccccc1 491585787 HGPKVWOFIZWLJG-WXVUKLJWSA-N 426.513 4.213 5 20 IIBD CNC(=O)c1cc(Oc2cccc(NCc3cc([N+](=O)[O-])ccc3OC(F)F)c2)ccn1 492021855 GXSQMBXVJKTMAY-UHFFFAOYSA-N 444.394 4.355 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCOCC2)cc1C(F)(F)F 499821056 VCOFCGNENBPYOH-UHFFFAOYSA-N 441.431 4.181 5 20 IIBD Cc1cc(Br)cc(C)c1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 500094349 BLJOMSOMVQCKCL-UHFFFAOYSA-N 448.273 4.301 5 20 IIBD Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 501979582 OVMSLLPYPFVNJE-UHFFFAOYSA-N 447.557 4.031 5 20 IIBD O=c1c([N+](=O)[O-])cc(Br)cn1CCCCOc1cccc(C(F)(F)F)c1 502132873 CTFLPMJELPQMJJ-UHFFFAOYSA-N 435.196 4.397 5 20 IIBD COc1ccc([C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])c2ccccc2OC)cc1 502368136 RKJQXJMFIKPILJ-DEOSSOPVSA-N 435.480 4.320 5 20 IIBD CC[C@H](CSc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 504777943 HCNHSVSTIHITBR-WIYYLYMNSA-N 441.553 4.195 5 20 IIBD CCCOc1cc(NC(=O)N[C@H]2CCCc3c2cnn3C)c([N+](=O)[O-])cc1OCCC 504904945 ZNQPZFMSSLCOGS-HNNXBMFYSA-N 431.493 4.105 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1cccc(-c2noc(C(F)(F)F)n2)c1 505191134 OXRAEJKRGUTTAU-UHFFFAOYSA-N 426.738 4.247 5 20 IIBD CCCCN(Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 506761249 YADUNFLTXQTEOI-GOSISDBHSA-N 436.505 4.315 5 20 IIBD O=C(NCCc1cc(C(F)(F)F)ccn1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 506794440 ILWLJYVUAQJZEU-UHFFFAOYSA-N 429.373 4.207 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCc2c(ncn2-c2ccc(F)cc2)C1 510727879 VXOXSOQGPCUOEL-UHFFFAOYSA-N 434.349 4.137 5 20 IIBD COc1cc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)c([N+](=O)[O-])cc1OC 512562060 ZZKASIGYPBGVLV-UHFFFAOYSA-N 448.497 4.370 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 512721949 YSBFMVNCABBFAW-OAHLLOKOSA-N 438.406 4.018 5 20 IIBD COc1ccc(-c2ccc(C)c(NC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)c2)cn1 512940297 NBUPDBUSHMOPSJ-UHFFFAOYSA-N 429.436 4.412 5 20 IIBD CCOC(=O)c1cc2cc(NCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])ccc2s1 513789837 OCYFYOCQOUDPQU-UHFFFAOYSA-N 429.454 4.045 5 20 IIBD COc1cc(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)c([N+](=O)[O-])cc1OC 514566139 KLYGXNKASJWTNS-UHFFFAOYSA-N 434.298 4.067 5 20 IIBD COc1cc(C(=O)Nc2nc(C)c(Cc3ccc(F)cc3)s2)c([N+](=O)[O-])cc1OC 516009057 VUMFULPIQSIKEO-UHFFFAOYSA-N 431.445 4.359 5 20 IIBD COc1cc(OCC(=O)N(Cc2ccccc2F)c2ccc(F)cc2)ccc1[N+](=O)[O-] 517935509 WOPBZMDNRIVTEX-UHFFFAOYSA-N 428.391 4.494 5 20 IIBD COc1ccc([C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c2ccc(F)cc2)cc1 518701160 AYUNQBWKYLKQDX-QHCPKHFHSA-N 439.443 4.069 5 20 IIBD COc1ccc(N(Cc2cccs2)C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1 519018957 HFZHXJCUSJUCGT-UHFFFAOYSA-N 428.466 4.286 5 20 IIBD CCOC(=O)c1cc(C(=O)N(Cc2cccc(C)c2)Cc2ccccn2)cc([N+](=O)[O-])c1 519088035 JIDBESDQHSMJIL-UHFFFAOYSA-N 433.464 4.318 5 20 IIBD COc1ccc(CN[C@H]2CCN(C3CCCC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 520971432 IBSZUTAXXLBUEK-FQEVSTJZSA-N 425.529 4.289 5 20 IIBD O=C(Nc1ccc(OCc2ccccn2)c(Cl)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 521549176 IULODWCHWABXJI-UHFFFAOYSA-N 441.827 4.246 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)c1 521930984 KIEACSUDNFEHKX-GFCCVEGCSA-N 436.331 4.088 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)ccc1[N+](=O)[O-] 523727718 HXPNOZJLDVHDRY-UHFFFAOYSA-N 442.931 4.360 5 20 IIBD O=C(NCc1nc(-c2ccc(Cl)cc2)no1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 523769397 QVPFLIWNUWYMEO-UHFFFAOYSA-N 439.762 4.221 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(c3ccc(Br)cc3C(F)(F)F)CC2)nc1 524323875 CKUULVHECUXUNS-UHFFFAOYSA-N 431.212 4.098 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3nc(-c4cnn(C)c4)cs3)cc2[N+](=O)[O-])C1 525066158 KFIDWESRELILRO-ZIAGYGMSSA-N 440.529 4.186 5 20 IIBD Cc1sc(NC(=O)[C@@H]2CCCN(C(=O)NCC(C)C)C2)nc1-c1cccc([N+](=O)[O-])c1 525482188 FYJDROAWHAPRPE-MRXNPFEDSA-N 445.545 4.043 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ncc(Cc2cccc(F)c2)s1 532679554 IKLNDWISWAOFAU-UHFFFAOYSA-N 438.440 4.347 5 20 IIBD O=C1NCc2ccc(NCc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)cc21 533210551 SNTFQRPUESOAGW-UHFFFAOYSA-N 428.242 4.473 5 20 IIBD CCNc1ccc(C(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] 534963842 NLYKTGHEDXLWQK-MGPUTAFESA-N 434.899 4.242 5 20 IIBD O=C(Nc1c(F)cccc1NC1CC1)c1cc(I)cc([N+](=O)[O-])c1 535023346 GLLMPQSMKAYIJB-UHFFFAOYSA-N 441.200 4.165 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(OC(F)(F)F)cc1Br 535334597 DWFTXMMQRSVYFG-UHFFFAOYSA-N 435.152 4.273 5 20 IIBD COc1cc(CN[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc(Br)c1OC 536870287 NGPZDTAXSVYOSG-QGZVFWFLSA-N 435.318 4.485 5 20 IIBD CCc1nc2ccccc2n1C1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 537855279 YHSFULWTAAAVHR-UHFFFAOYSA-N 432.484 4.394 5 20 IIBD C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 540132719 FOXAJPATQOOUMT-NSHDSACASA-N 432.267 4.242 5 20 IIBD Nc1ncc([N+](=O)[O-])cc1C(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 541840918 WXQVLFVKZNFRFF-UHFFFAOYSA-N 432.267 4.116 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1nnn(-c2cccc(Br)c2)c1C 543427051 CIQRLRSLZDAVPA-GFCCVEGCSA-N 446.305 4.106 5 20 IIBD COC(=O)c1sc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)nc1C1CCCC1 543504010 BUGGPWNARKVVON-UHFFFAOYSA-N 428.470 4.158 5 20 IIBD Cc1nn(C)c2sc(-c3nc(Cc4ccc([N+](=O)[O-])cc4Br)no3)cc12 545012566 AISCBUFOHCTNCS-UHFFFAOYSA-N 434.275 4.255 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3cc4ccccc4nc3O)n2)c(Br)c1 545052226 BGHHQAVPQGCHGI-UHFFFAOYSA-N 427.214 4.252 5 20 IIBD CCOC(=O)c1cc(-c2nc(-c3cnc(Oc4ccccc4)cn3)no2)cc([N+](=O)[O-])c1 545102361 CWVMSXLQBZSNBS-UHFFFAOYSA-N 433.380 4.071 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@@H](n2cccn2)Cc2ccccc21 550654845 JNCWCEKNTHSSDD-INIZCTEOSA-N 441.285 4.306 5 20 IIBD COc1c(F)cc(NC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cc1F 559966179 OOLSPWYVFPNXFU-INIZCTEOSA-N 437.399 4.086 5 20 IIBD C[C@@H]1c2c(F)cccc2CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 564633612 RWBIOAVMJDFCBZ-CVEARBPZSA-N 437.475 4.153 5 20 IIBD COc1cc(Cc2noc(-c3csc(-c4ccc(C)o4)n3)n2)c([N+](=O)[O-])c(OC)c1 569311373 LCDRQEBDXVNPFK-UHFFFAOYSA-N 428.426 4.278 5 20 IIBD Cc1c(NC(=O)C(=O)NCCc2ccc(C(C)C)cc2)cc(Br)cc1[N+](=O)[O-] 572553910 GFYSZBBZVCAYSS-UHFFFAOYSA-N 448.317 4.087 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 580137222 MWFQDWBLEXHTGR-UHFFFAOYSA-N 446.794 4.254 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(OCC(=O)Nc2ccc(N3CCc4ccccc43)cc2)c1 603914782 DCVCREHNXDKXCG-UHFFFAOYSA-N 447.447 4.093 5 20 IIBD C[C@@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1cccc(OCc2ccccn2)c1 604077554 DWZNMVJZHMXMFX-QGZVFWFLSA-N 435.484 4.041 5 20 IIBD Cc1c(CNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)oc2ccc(F)cc12 604433715 WNJCJLYDNUPUBG-UHFFFAOYSA-N 433.461 4.185 5 20 IIBD COC(=O)C[C@H]1CCCCN1C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 604477629 BFTLKVYKZOYEGM-CQSZACIVSA-N 435.527 4.069 5 20 IIBD O=C(N[C@H]1C[C@H]1c1cccc(Br)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 608809472 JHTMMRQOLVCMRS-ROUUACIJSA-N 444.329 4.246 5 20 IIBD CCCn1c(S[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)nnc1-c1cccc(C)c1 609449982 MDHQYFDPLSZGHK-IBGZPJMESA-N 437.525 4.469 5 20 IIBD CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCc1ccc(SC)c(OC)c1 609451768 CADLSHCQJYHRIB-UHFFFAOYSA-N 443.481 4.267 5 20 IIBD O=C(NC[C@H]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1)Nc1cccc(F)c1 609465053 NKWLKXPYVLSBHF-QGZVFWFLSA-N 430.480 4.037 5 20 IIBD O=C(c1ccccc1)c1ccc(NCCNc2nccc(C(F)(F)F)n2)c([N+](=O)[O-])c1 609965322 ZUQPWRTYLBHSPE-UHFFFAOYSA-N 431.374 4.159 5 20 IIBD CCC(CC)[C@H](NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1cccs1 610144941 VSOBTVPCKGPUQB-FQEVSTJZSA-N 444.557 4.301 5 20 IIBD Cn1cc(C(=O)N2CC(Cc3ccc(C(F)(F)F)cc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 610660190 HMWZJHWIBKJURW-UHFFFAOYSA-N 444.413 4.329 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NC[C@H]2CCO[C@H](C)C2)c([N+](=O)[O-])c1 611298623 GFCIXQKJCNOEFR-SJORKVTESA-N 433.530 4.037 5 20 IIBD Cn1ccnc1[C@@H](NCCCc1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 611560684 SJDIXXFRDAQMKP-IBGZPJMESA-N 429.318 4.403 5 20 IIBD COc1cc([C@H]2NC(=O)c3cccc(OC)c3O2)c([N+](=O)[O-])cc1OCc1ccccc1 619553137 VFAWKCPAPMPBQQ-QHCPKHFHSA-N 436.420 4.012 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1csc(-c2c(F)cccc2F)n1 726217887 CFZROVHNRUFOEM-UHFFFAOYSA-N 433.392 4.100 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])c(F)c1)NCc1ccc(-c2ccc(Cl)cc2)o1 728155646 VMUGQYJXYDEJSH-UHFFFAOYSA-N 432.791 4.121 5 20 IIBD Cc1oc(-c2cccs2)nc1CC(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 729193202 NRXYOBOEQCEWJN-UHFFFAOYSA-N 442.497 4.017 5 20 IIBD O=[N+]([O-])c1ccc2cnn(CN3CCO[C@H](c4cc(F)c(Cl)cc4Cl)C3)c2c1 730254971 OWJAQBMDNBYNCY-SFHVURJKSA-N 425.247 4.421 5 20 IIBD CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)OCc1cc([N+](=O)[O-])ccc1OC)O[C@H](C)C2 730651069 LGWHHHQKEKJIJV-FMEYXAORSA-N 427.453 4.172 5 20 IIBD Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)O[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 731514122 PDYAVAGUWJBWHN-OXJNMPFZSA-N 426.469 4.143 5 20 IIBD O=C(O)c1cc(S(=O)(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)ccc1F 735268063 XZWJBAKZBCNVAO-UHFFFAOYSA-N 432.385 4.025 5 20 IIBD CCCc1c(C(=O)OC2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)[nH]c(C)c1C(C)=O 739384688 KMSBWOSUTDCFFY-UHFFFAOYSA-N 443.500 4.221 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Br)c1sc(N2CCCC2)nc1Cl 739579068 DPELWFSPSVRHOR-UHFFFAOYSA-N 446.710 4.424 5 20 IIBD CCCN(Cc1ccc(C)cc1)C(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Br 740409214 BPDDKIQZSGOVMM-UHFFFAOYSA-N 449.301 4.261 5 20 IIBD COc1ccc2sc(C(=O)O[C@@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c(C)c2c1 745341760 XLGZHELAKRZLMW-NSHDSACASA-N 432.429 4.450 5 20 IIBD C[C@H]1CS(=O)(=O)CCN1C(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34 746289596 OHSGVJOHNPZUOB-INIZCTEOSA-N 433.529 4.192 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1cccc2ccccc12 746607763 PWNCUPACISVPDY-LSDHHAIUSA-N 440.427 4.075 5 20 IIBD C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 746898919 OGASMLUZDVWWOO-FZMZJTMJSA-N 431.411 4.131 5 20 IIBD Cc1cc(C)c(NC(=O)COC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c(Cl)c1 748949128 SZTDSSOOJGGQIO-UHFFFAOYSA-N 435.820 4.186 5 20 IIBD COc1cccc(CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)c1OC 750841827 QRIMJRNXFMTUJE-UHFFFAOYSA-N 443.681 4.000 5 20 IIBD O=C(NCCc1nc2c(s1)CCCC2)c1cc(Br)cc([N+](=O)[O-])c1Cl 750865910 UAQKKWZWWHKWRS-UHFFFAOYSA-N 444.738 4.319 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 751470425 CCASSBFYJROQTL-GOSISDBHSA-N 430.505 4.348 5 20 IIBD COc1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC1CCCC1 751974406 BBJPSRCVLXPYST-OAHLLOKOSA-N 442.468 4.417 5 20 IIBD Cc1nn(CCC(=O)OCCSc2ccnc3cc(Cl)ccc23)c(C)c1[N+](=O)[O-] 752214014 QPNPGHCSYUAOHW-UHFFFAOYSA-N 434.905 4.335 5 20 IIBD COc1cccc([C@H](C)CC(=O)OC2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)c1 753419613 RLWZIRRKILEIQS-MRXNPFEDSA-N 428.485 4.318 5 20 IIBD Cc1ccc(C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)nc1 753481430 LTUARTNPVRTJDU-LJQANCHMSA-N 425.828 4.488 5 20 IIBD C[C@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@H](O)c1c(Cl)cccc1Cl 757256500 PSNUPQQEDMPCDI-FVMDXXJSSA-N 432.691 4.476 5 20 IIBD COc1ccc(COC(=O)c2n[nH]c(-c3ccccc3)c2Br)cc1[N+](=O)[O-] 757730647 ZCUWCBSXQIYUBQ-UHFFFAOYSA-N 432.230 4.113 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNC[C@@H]2CSCCS2)cc1 759835140 STBAPEDKTIAIBQ-HXUWFJFHSA-N 426.567 4.386 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)[C@@H](C)CC(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 759852205 LXYZLMDDNQGFQJ-GXTWGEPZSA-N 432.860 4.336 5 20 IIBD O=C(CCc1ncc(-c2ccc(F)cc2F)o1)O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 759933025 RLYCUJHHWSQPTB-IRXDYDNUSA-N 446.410 4.384 5 20 IIBD O=C(CSc1ncnc2sccc12)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760486545 REUKMNWCEWGKIE-UHFFFAOYSA-N 428.451 4.090 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 760542264 LBEHTSQQTZUGLN-OAHLLOKOSA-N 445.472 4.330 5 20 IIBD CCc1nc(C)c([C@H](C)N(C)S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)s1 760857996 NTSWTJUGDHHOGC-JTQLQIEISA-N 448.364 4.066 5 20 IIBD CC(C)(C(=O)OCC(=O)N(Cc1ccco1)c1ccccc1)c1ccc([N+](=O)[O-])cc1F 762996819 FCDFLXYZWAISRW-UHFFFAOYSA-N 440.427 4.381 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 765522509 PLVDVDIUNKCORS-ZFWWWQNUSA-N 440.412 4.426 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC(=O)Nc1ccc(C)cc1Br 765524119 IVVPPKDUZGPDOY-HNNXBMFYSA-N 449.301 4.416 5 20 IIBD CCCn1ncc(C(=O)OC2CCN(c3ccc([N+](=O)[O-])c(OCC)c3)CC2)c1C1CC1 765947531 ISSZAGSFPPDFJI-UHFFFAOYSA-N 442.516 4.303 5 20 IIBD CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 769907000 UZWSLKLLTCHXIQ-SFHVURJKSA-N 431.832 4.445 5 20 IIBD C[C@H](CCSc1ccccc1)OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 770027149 XCLMAMUCPLDXPE-GDBMZVCRSA-N 434.539 4.375 5 20 IIBD C[C@@H](OC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)Nc1cccc2ncccc12 770158060 SAOPKNYOSFVJBL-LLVKDONJSA-N 444.241 4.090 5 20 IIBD Cc1cc2c(N3CCC[C@@H]3C(=O)OCc3ccc(Cl)cc3[N+](=O)[O-])ncnc2s1 770185387 SSGDMXVFMCIJFQ-OAHLLOKOSA-N 432.889 4.274 5 20 IIBD Cc1cc2oc(=O)cc(Cn3cc(Br)cc([N+](=O)[O-])c3=O)c2cc1C(C)C 770457837 UVDLDYMCKGXWBC-UHFFFAOYSA-N 433.258 4.106 5 20 IIBD CSc1ccc(NC(=O)[C@H](C)OC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 773606467 UIAUPAZKLUZCDC-QMMMGPOBSA-N 445.316 4.325 5 20 IIBD Cc1ccccc1-n1c(SC[C@H](O)c2ccc([N+](=O)[O-])cc2)nnc1-c1ccncc1 776271173 IMVFFZQIZQDMEY-FQEVSTJZSA-N 433.493 4.372 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C 777307025 REUYRMMDFOAWJO-UHFFFAOYSA-N 440.485 4.011 5 20 IIBD CC(C)(C)OC(=O)Nc1ccccc1CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 778034367 NPZGTBJFSSBBFX-UHFFFAOYSA-N 433.892 4.497 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 778790810 IKMUBMPPHQMEIY-MRXNPFEDSA-N 448.357 4.099 5 20 IIBD Cn1cc(CN2C[C@@H](CCN3CCCC3=O)c3ccccc32)c(-c2ccc([N+](=O)[O-])cc2)n1 780779159 PVJSFGIFVRFTCN-LJQANCHMSA-N 445.523 4.112 5 20 IIBD O=C(OCC(=O)c1cnc(N2CCCCC2)s1)c1ccc2[nH]c3ccccc3c(=O)c2c1 781259532 GASWXRRZOCBGAO-UHFFFAOYSA-N 447.516 4.168 5 20 IIBD Cc1c(C(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)cnn1C1CCCCC1 781451269 BCZUZFJLTZZJTF-UHFFFAOYSA-N 427.505 4.073 5 20 IIBD CC(C)[C@@H]1C[C@@H](CC(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)CCO1 781563450 KKPPIRZDVPBHEV-LPHOPBHVSA-N 430.505 4.223 5 20 IIBD Cc1cccc2nc(C3CCN(C(=O)C(=O)Nc4ccc(Cl)c([N+](=O)[O-])c4)CC3)oc12 782165571 IVRNCJDAVODERD-UHFFFAOYSA-N 442.859 4.043 5 20 IIBD COc1ccc(-c2nc(CC(=O)OCc3ccc([N+](=O)[O-])c(F)c3)cs2)cc1OC 782323603 PYGHHMQKQUPFGO-UHFFFAOYSA-N 432.429 4.161 5 20 IIBD O=C(CCN1CCCCC[C@H]1C[C@@H](O)c1ccccc1)Nc1cc([N+](=O)[O-])ccc1F 782511520 XJQKZPRPVQYGKG-PGRDOPGGSA-N 429.492 4.431 5 20 IIBD CC(=O)c1cc(Br)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 783876713 XFVNAYIJVUFDND-UHFFFAOYSA-N 433.667 4.014 5 20 IIBD Cc1oc(-c2ccco2)nc1CC(=O)O[C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 787025415 KHZPOKRQABQIQL-HNNXBMFYSA-N 429.404 4.045 5 20 IIBD CC(C)c1ccc(CNCc2ccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)cc1[N+](=O)[O-] 790608662 MOSPQFDRQPEJJE-DEOSSOPVSA-N 436.512 4.233 5 20 IIBD COc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790739479 ARAPGKSTKFSZIU-SECBINFHSA-N 445.230 4.162 5 20 IIBD CC[C@@H](C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)c1ccc(OC)cc1 791245784 FNSSKKQGWJJRAY-OAHLLOKOSA-N 433.302 4.444 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)O[C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 795711981 RSMHJWUUAINRBI-LLVKDONJSA-N 442.346 4.076 5 20 IIBD C[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1Br)[C@@H]1OCCc2sccc21 796488823 YOXXDKKFZYJDEP-HWPZZCPQSA-N 426.288 4.412 5 20 IIBD O=C(c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O)N1CCC[C@@H]1c1cccc(F)c1 798163907 OJQQTGBSXOJUJI-OAHLLOKOSA-N 430.823 4.256 5 20 IIBD O=C(NCC1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1)C(F)(F)F 798956490 ZSFJJUZKCHJKJI-UHFFFAOYSA-N 427.448 4.214 5 20 IIBD Cc1cc(Cl)nc(CNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])c1 799966449 MOJRBHTYSZRBIL-UHFFFAOYSA-N 432.889 4.365 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 800149074 GQKKFMCVZOKHAI-UHFFFAOYSA-N 425.416 4.223 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(I)c1)c1ccc([N+](=O)[O-])cc1Cl 801699303 DKRBKYMHRYWHRX-UHFFFAOYSA-N 447.572 4.013 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2ccc3oc(O)nc3c2)c2ccccc2)c([N+](=O)[O-])c1 805656005 QYCWFUBEXKSTSO-HXUWFJFHSA-N 447.403 4.287 5 20 IIBD O=C(NC1(c2noc(-c3cc([N+](=O)[O-])ccc3N3CCCCC3)n2)CCC1)c1ccccc1 809505353 AXNKOSHGOJHFJT-UHFFFAOYSA-N 447.495 4.444 5 20 IIBD O=C(Cc1cncn1Cc1ccccc1)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 810656638 LCBAHUPOSCDNHJ-DEOSSOPVSA-N 428.448 4.110 5 20 IIBD O=C(OCc1csc2nccn12)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 811068669 MXTVVWKQXVBBRR-UHFFFAOYSA-N 438.252 4.154 5 20 IIBD CC1(C)COc2ccc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)cc21 811336051 CIAYXTMITPJUAC-UHFFFAOYSA-N 438.358 4.079 5 20 IIBD COCCn1c(Cn2ccc3ccccc32)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 812141678 RUKFVRAYPACNDN-UHFFFAOYSA-N 446.511 4.005 5 20 IIBD CNc1ccc(C(=O)N2CCC[C@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1[N+](=O)[O-] 814428784 OCLBSUULAMTPJL-ROUUACIJSA-N 446.548 4.136 5 20 IIBD CN([C@]1(c2ccccc2)CCCCC1=O)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] 815040547 BTWFBXWYRSNQGB-IBGZPJMESA-N 440.880 4.046 5 20 IIBD CSc1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)ccc1NC(C)=O 815406338 DMJBVHKRVDTNJJ-UHFFFAOYSA-N 436.873 4.277 5 20 IIBD CC(=O)Cc1ccc(OC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cc1 816213690 PTJPUQBDGRHGTM-UHFFFAOYSA-N 446.459 4.243 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 816346986 KTQHQYCAZRXGSG-VXGBXAGGSA-N 431.411 4.179 5 20 IIBD CC(C)[C@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)N1C[C@@H](C)C[C@@H](C)C1 876752955 DUFICKSVKNCJIO-AHIWAGSCSA-N 441.322 4.043 5 20 IIBD O=C(NCc1nc(-c2cccc(C(F)(F)F)c2)no1)c1c(Cl)cccc1[N+](=O)[O-] 904312711 ZPLDLFYDXWAEJM-UHFFFAOYSA-N 426.738 4.247 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OCc2nnc(C(C)(C)C)o2)cc1 915249628 MBYXAMZEAFOXHH-UHFFFAOYSA-N 427.413 4.433 5 20 IIBD Cc1cc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)n(-c2cccc(C(F)(F)F)c2)n1 915284235 PAFUAGYQVFQMQI-UHFFFAOYSA-N 444.373 4.096 5 20 IIBD Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 916072439 ZTNLVPSHNCTQII-UHFFFAOYSA-N 429.436 4.144 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@H](C)c1ccc(F)cc1F 918765368 QCWWAXTZXGEFSP-KZULUSFZSA-N 438.452 4.029 5 20 IIBD CN(c1ccccc1)c1ccc(C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cn1 919210890 LNRADWFHJSMQHN-UHFFFAOYSA-N 431.408 4.165 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1ccc2ccccc2c1 919221504 KFVSLSSRXKGPAM-ZIAGYGMSSA-N 437.408 4.079 5 20 IIBD O=C(Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-])c1ccc(CN2C(=O)CCC2=O)cc1 920330151 VDBMTGSZAVAJRK-UHFFFAOYSA-N 430.416 4.130 5 20 IIBD O=C(COC(=O)c1csc(Cc2ccc(Cl)cc2)n1)Nc1ccccc1[N+](=O)[O-] 1317858971 ZUMLHKFAKITDDX-UHFFFAOYSA-N 431.857 4.091 5 20 IIBD C[C@H](Sc1ccc(S(=O)(=O)C(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 1318911176 GVOTUBRMQZFDJP-JTQLQIEISA-N 434.417 4.008 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1cc2ccccc2[nH]1 1320325564 ONVWOTOZGHDHPS-UHFFFAOYSA-N 427.482 4.004 5 20 IIBD COc1ccc(C(=O)N2CCCC2)cc1NCc1ccc([N+](=O)[O-])cc1Br 1320399598 RSJXYWVDBXADJS-UHFFFAOYSA-N 434.290 4.214 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(F)c(NC(=O)OC(C)(C)C)c1 1327862747 BCGZMQIBGRQFTL-UHFFFAOYSA-N 425.438 4.190 5 20 IIBD Cc1c(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cnn1C1CCCC1 1341074567 OIEPWIVCLLSFKE-UHFFFAOYSA-N 433.306 4.176 5 20 IIBD Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ccncc4)cc3)CCC2)cc1[N+](=O)[O-] 1787309127 MNWWUIGXFGHLOG-UHFFFAOYSA-N 444.491 4.289 5 20 IIBD CC[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2cc(F)ccc2[N+](=O)[O-])C3)CC1 1802026918 RPALAWKWAGMKOJ-BOFTWBBESA-N 445.535 4.131 5 20 IIBD C[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CSc2ccccc2[N+](=O)[O-])CC1 1802185858 RAEDTISNVSBEEQ-YCEIQTCASA-N 445.585 4.151 5 20 IIBD Cc1ccc(C)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc([N+](=O)[O-])o3)n[nH]2)c1 1814313288 GVQVPUBENKHDLL-KRWDZBQOSA-N 437.456 4.147 5 20 IIBD CC/C=C(\C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(F)ccc([N+](=O)[O-])c2C)[nH]n1 1823097285 PWVVEAKXPBQNGY-UTGRISEESA-N 443.479 4.428 5 20 IIBD CCCCC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 1829836124 QZVYRYXKENMHOI-YLJYHZDGSA-N 432.565 4.373 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2)CC1 1829871156 PHLXEBFZAUOJIY-ZUURVNMSSA-N 437.496 4.135 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC2CCC2)CC1 1830728922 HEYCVGAONNMJKH-NRFANRHFSA-N 445.535 4.466 5 20 IIBD COc1ccccc1CCNc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 15129894 VSEMOFZDOCFAOW-UHFFFAOYSA-N 427.482 4.059 5 20 IIBD Cc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C 20992449 KLKRDAKIQKDRCP-GFCCVEGCSA-N 431.905 4.471 5 20 IIBD CCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nc2cc3ccccc3cc2c1=O 22178033 NMZRPNZIQNTCTD-UHFFFAOYSA-N 432.501 4.316 5 20 IIBD Cc1ccc(-c2csc3ncn(CC(=O)N(C)c4ccc([N+](=O)[O-])cc4)c(=O)c23)cc1 24763387 PZEVNNGWUGTOQL-UHFFFAOYSA-N 434.477 4.005 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2nc(-c3ccccc3OC)cs2)cc([N+](=O)[O-])c1 31991478 MKLAQQOTITUZSE-UHFFFAOYSA-N 427.438 4.156 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@@H](C)c3nc4ccccc4s3)CC2)c1 32211206 LXWFCFYWFLKJMD-AWEZNQCLSA-N 442.566 4.445 5 20 IIBD CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)o2)c([N+](=O)[O-])c1 33541925 JLLYUJLKECUXJO-UHFFFAOYSA-N 434.861 4.428 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 33552531 VOPDMJNJVZKJBV-UHFFFAOYSA-N 442.334 4.286 5 20 IIBD CCOc1cc(C(=O)Nc2nc3cc4c(cc3s2)OCCCO4)c([N+](=O)[O-])cc1OC 61206500 OIUQBELXZGZNED-UHFFFAOYSA-N 445.453 4.025 5 20 IIBD COc1cc(CN(C)C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])ccc1OC(F)F 64721444 VGPRUIHYCOBOIP-LLVKDONJSA-N 444.818 4.284 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1I 72068419 MVKWIXJEXIATFP-UHFFFAOYSA-N 446.628 4.422 5 20 IIBD CSCC[C@@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1nnc2ccccn12 96992336 WYDFXHBYKMICHU-MRXNPFEDSA-N 427.530 4.159 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 109006804 VSTBHHMPZDRASS-CVEARBPZSA-N 437.562 4.181 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCC(C)(C)c2ccccc2Cl)ccc1[N+](=O)[O-] 303184148 LFCUVYJUUZLCSB-HXUWFJFHSA-N 443.931 4.255 5 20 IIBD C[C@@H](c1ccc2c(c1)OCO2)c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 426451602 SHBMZXJUXPHPGI-JTQLQIEISA-N 432.230 4.212 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(Br)cc1Br 427125055 YXMATCSXOIETHP-UHFFFAOYSA-N 430.052 4.381 5 20 IIBD O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 435937030 NTRKKSSNBITXEG-INIZCTEOSA-N 443.478 4.311 5 20 IIBD C[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)[C@H](OC1CCOCC1)c1ccccc1 437312179 WOIPLCBXGFBTEN-AOMKIAJQSA-N 430.526 4.129 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCO[C@@]2(C[C@H]3CC[C@H]2C3)C1 440900070 ABVVYCZALCXEKD-LXIYXOSZSA-N 430.448 4.123 5 20 IIBD CCN(CC)C(=O)CCC1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 444301749 OAYYCYYVDXEUOD-UHFFFAOYSA-N 433.552 4.182 5 20 IIBD CN1Cc2cc(NC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)ccc2NC1=O 444344168 XMQKFVUGWULFHV-UHFFFAOYSA-N 434.402 4.189 5 20 IIBD CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])C1 446425747 UUBYUHBYCCLYTR-SFHVURJKSA-N 439.512 4.397 5 20 IIBD Cc1cc(C)n(-c2ccc([C@H](C)Nc3cc(CN4CCOCC4)ccc3[N+](=O)[O-])cc2)n1 447815465 DMVOJBBMUGBRPV-IBGZPJMESA-N 435.528 4.403 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCSc2ncccc21 460354509 UBBAANDMWNNYTM-UHFFFAOYSA-N 436.280 4.235 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)ccc1[N+](=O)[O-] 460663095 QHMFCMGLTHNKDD-RZFNWQHOSA-N 435.524 4.160 5 20 IIBD Cc1nc(-c2ccc([C@@H](C)NC(=O)C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)cc2)cs1 464022954 ROYDNSUDNVIQQU-CQSZACIVSA-N 438.509 4.459 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 465072205 RROIMYWYNAWQRJ-CYBMUJFWSA-N 439.493 4.218 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2nn(-c3ccc(Cl)cc3)cc2C)cc1SC 466806139 ZYRGYTLEAXJEKE-UHFFFAOYSA-N 432.889 4.725 5 20 IIBD COC(=O)c1cccc(CNc2ccc(C(=O)c3ccccc3C(=O)OC)cc2[N+](=O)[O-])c1 466817345 SLFVMCJJTAIATM-UHFFFAOYSA-N 448.431 4.011 5 20 IIBD COc1ccc(COCc2cccc(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)s3)c2)cc1 466961787 PAUJQYZGELGEHM-UHFFFAOYSA-N 448.522 4.491 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cc(Br)c(F)cc2F)cc([N+](=O)[O-])c1 467017637 WSPMVNXGCKQCHV-UHFFFAOYSA-N 429.173 4.065 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 467224266 USCJINRCXYAERD-IAGOWNOFSA-N 428.247 4.370 5 20 IIBD CC(C)(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 468090965 AGYITUWXAIZNFH-UHFFFAOYSA-N 441.303 4.182 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)c([N+](=O)[O-])c1 468919895 LWFDTIIKAYBDSV-QGZVFWFLSA-N 446.916 4.473 5 20 IIBD CC[C@@H]1CN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC[C@@H]1c1ccccc1 470001158 VDJZHWUEZWAADL-XLIONFOSSA-N 437.496 4.325 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3C[C@H](C)O[C@H](c4ccsc4)C3)cc2)c(C)c1[N+](=O)[O-] 470738969 WXSCIDWQDZSAFK-XOBRGWDASA-N 440.525 4.120 5 20 IIBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1cc(-c2ccccc2)ccc1Cl 471455268 NNPIGIMFVIQDKL-UHFFFAOYSA-N 435.823 4.150 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCOc2ccc(C(F)(F)F)cc21 472874226 FLJPYYHKIHUAGZ-UHFFFAOYSA-N 431.164 4.415 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 472961501 VDVXMJAVGJQBGZ-UHFFFAOYSA-N 439.295 4.488 5 20 IIBD Cc1ccc(C(=O)Nc2cc3c(cc2NC(=O)c2cccs2)OCCO3)cc1[N+](=O)[O-] 473450737 BOBFVJWLBJUESI-UHFFFAOYSA-N 439.449 4.241 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)c2cccs2)CC1 479261567 ZAVVKXBDXRCNQI-UHFFFAOYSA-N 433.555 4.003 5 20 IIBD COc1cc(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)cc([N+](=O)[O-])c1C 480146630 MRJKJTPMYPVOES-UHFFFAOYSA-N 432.436 4.391 5 20 IIBD COC(=O)c1cc(Br)ccc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 480821847 SZKDTTMIERHDQP-UHFFFAOYSA-N 448.273 4.340 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1[N+](=O)[O-])c1ccccn1 482043764 GTXCNJLRHDJMCT-GOSISDBHSA-N 437.544 4.253 5 20 IIBD COc1cc(C(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)c([N+](=O)[O-])cc1OC(F)F 482202852 ALLGHCHDJWHTIH-ONGXEEELSA-N 426.338 4.303 5 20 IIBD CC[C@@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])Oc1ccccc1F 482760355 ZDKFHKIYZSAEKB-LBPRGKRZSA-N 430.354 4.262 5 20 IIBD CCO[C@@H]1C[C@@H](NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])[C@H]1OC 483407571 MZYLUENWYXFGJP-GPMSIDNRSA-N 436.917 4.322 5 20 IIBD CCOc1cc(C(=O)N[C@@H](COc2ccccc2F)C(C)(C)C)c([N+](=O)[O-])cc1OC 486388479 ORZKPYMGDACHRN-FQEVSTJZSA-N 434.464 4.365 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 486616224 RMKWOFJGQPTFDJ-MRXNPFEDSA-N 449.598 4.037 5 20 IIBD CC(C)[C@@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)c1cccc(Cl)c1 486740393 VJEGGBMSMXGGOM-GOSISDBHSA-N 435.933 4.034 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc(-c2cc(F)cc(F)c2)nn1C 487473967 MPBHDQUZJYDPFN-JTQLQIEISA-N 436.802 4.333 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccc(Br)cc1 489258999 WVNBBHRGWKJTAR-UHFFFAOYSA-N 439.331 4.068 5 20 IIBD COc1c(S(=O)(=O)Nc2cccc(Cl)c2)cc(Br)c(C)c1[N+](=O)[O-] 491603966 HUPSZUDTPSTMFQ-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cc4c(cc3F)NC(=O)CC4)cc2[N+](=O)[O-])C1 492579857 BTFAUSRZPHGWBB-OKILXGFUSA-N 440.475 4.353 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F 495015329 GHDAQMYLCWGULU-MRXNPFEDSA-N 430.810 4.165 5 20 IIBD COC(=O)[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)Cc1ccc2ccccc2c1 498625320 WDOYARZHCZXKIJ-IBGZPJMESA-N 432.432 4.256 5 20 IIBD COc1ccc(NC(=O)c2cc3ccccc3c3cccnc23)cc1OCC(=O)NC1CC1 500285891 RYJQVKKSCMRMHV-UHFFFAOYSA-N 441.487 4.306 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCOC[C@@H]1c1nc2ccccc2s1 500704986 ZXZUEOVDVHKQBH-LJQANCHMSA-N 438.509 4.018 5 20 IIBD Cc1cc(-c2noc(CCC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2)ccc1F 501991668 VFDUEASLMDXSSH-UHFFFAOYSA-N 426.448 4.462 5 20 IIBD CC[C@@H](C)n1c(SCC(=O)NCCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1 504064095 ZFKNLFWECCZIMC-MRXNPFEDSA-N 439.541 4.275 5 20 IIBD O=C(CCN1CCCCC1)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 505822541 ADJGOGMMCFISAV-UHFFFAOYSA-N 430.892 4.315 5 20 IIBD O=C(Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1)c1cc(O)cc([N+](=O)[O-])c1 506174166 ORDWRIWINUYKBX-UHFFFAOYSA-N 437.839 4.295 5 20 IIBD COc1cc(OCc2nc(Cc3cc(F)cc(Br)c3)no2)ccc1[N+](=O)[O-] 508688964 ZGUTUZSXOAPQPZ-UHFFFAOYSA-N 438.209 4.058 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(Cc3nc(-c4cccs4)no3)CC2)nc1-c1ccccc1 509715953 WXSTUXJOADIZOW-UHFFFAOYSA-N 448.508 4.091 5 20 IIBD Cc1c(Br)cc(C(=O)NCc2ccc(NC(=O)C(C)C)cc2)cc1[N+](=O)[O-] 509901829 WXQNWGGBDPDBEP-UHFFFAOYSA-N 434.290 4.190 5 20 IIBD O=C(Nc1cccc2[nH]ccc12)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 509923541 HJDXJNHMPWDPAB-UHFFFAOYSA-N 433.390 4.449 5 20 IIBD O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H]1c1ccc(Br)c(F)c1 510062337 DWXBVMSKJNUHGX-INIZCTEOSA-N 433.237 4.350 5 20 IIBD CCOc1cc(CN2CCC[C@H]3CCC[C@@H]32)ccc1OCCn1c([N+](=O)[O-])cnc1C 511837499 HEMJBVYOEGNHKF-UXHICEINSA-N 428.533 4.342 5 20 IIBD COc1cc(Br)c(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1OC 512565993 QVTCPJNTCCATFG-UHFFFAOYSA-N 438.278 4.205 5 20 IIBD C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1=O 513522083 PUUPGXJFLWGLQB-SCLBCKFNSA-N 441.484 4.431 5 20 IIBD CNC(=O)c1cccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c1C 513562284 IDAXNIZLOXXDQZ-UHFFFAOYSA-N 435.480 4.463 5 20 IIBD C[C@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1cc(F)c(Cl)cc1Cl 515032468 IAJISIFSJIQVAG-NSHDSACASA-N 442.278 4.029 5 20 IIBD COc1ccc(C(=O)Nc2cccc(CN3CCOc4ccc([N+](=O)[O-])cc4C3)c2)cc1 515720585 LLRQJNMANDWSRS-UHFFFAOYSA-N 433.464 4.250 5 20 IIBD CC(C)c1cc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n[nH]1 517929169 UODIQXJNMOFZMD-UHFFFAOYSA-N 430.468 4.475 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(NCCc2ccccc2)cc1 520272750 CXVIOANIWRNZRZ-UHFFFAOYSA-N 432.480 4.008 5 20 IIBD COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 522693150 KNGMBPWFIDDHSN-UHFFFAOYSA-N 446.412 4.114 5 20 IIBD COc1cc(C(=O)N[C@@H]2CSc3ccccc32)c([N+](=O)[O-])cc1OCc1cscn1 522728462 AJTPNGOZTFADBW-OAHLLOKOSA-N 443.506 4.216 5 20 IIBD CC(C)n1cc([C@H](C)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])cn1 523656890 NRFQOEPKPODELD-HNNXBMFYSA-N 429.502 4.346 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H](c1ccccc1)c1nc2ccccc2n1C 523937438 OIRXERXJVPRLTR-JOCHJYFZSA-N 429.480 4.413 5 20 IIBD Cn1ccnc1Sc1ccc(F)cc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 524452035 SBOLAADJJOTPDR-UHFFFAOYSA-N 438.444 4.057 5 20 IIBD COc1cc(C(=O)N2CCC[C@@H]2c2cccc(Br)c2)cc([N+](=O)[O-])c1OC 525578755 GKFXFLLPFGGPNF-OAHLLOKOSA-N 435.274 4.352 5 20 IIBD O=C(NCCc1nc2cc(Cl)ccc2s1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 531035479 CUHQZZZUPIKZRX-UHFFFAOYSA-N 427.873 4.016 5 20 IIBD O=C(CN(C1CC1)[C@@H]1CCc2ccccc21)Nc1ccc([N+](=O)[O-])cc1Br 533028678 BHJWPFLQUHJQPS-LJQANCHMSA-N 430.302 4.448 5 20 IIBD Cc1noc(C)c1CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1c(C)noc1C 533301620 HJMBYOUKMPSQGC-UHFFFAOYSA-N 447.879 4.099 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC=C(c2ccc3c(c2)OCCO3)CC1 537763950 QTHNHSRVLPTQHD-UHFFFAOYSA-N 445.269 4.058 5 20 IIBD COc1cc(CN[C@@H](c2ccc3c(c2)OCCO3)C(C)C)c([N+](=O)[O-])cc1OC(F)F 538142315 YOEFNSYTLMEDNU-HXUWFJFHSA-N 438.427 4.463 5 20 IIBD COc1ccc(Cl)cc1C1(CNC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CCOCC1 539248077 IGALLXVAODSVFW-HNNXBMFYSA-N 447.919 4.365 5 20 IIBD Cc1ccc(Sc2ccc(CN[C@@H]3CCC[C@H](S(C)(=O)=O)C3)cc2[N+](=O)[O-])cc1 539519873 VHEDPIZYNOFHNT-MJGOQNOKSA-N 434.583 4.500 5 20 IIBD COc1ccccc1COC1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 539916851 MPHXOUNPJVCFRE-UHFFFAOYSA-N 427.501 4.003 5 20 IIBD C[C@H]1CCCN(c2ccc(C(=O)N(C)c3ncccc3Br)cc2[N+](=O)[O-])C1 541314617 IGPVDRIJZMDQRF-ZDUSSCGKSA-N 433.306 4.265 5 20 IIBD CSc1nnc(CCCNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)n1C1CCCC1 541584929 FKWKBHKTWDAAQD-CYBMUJFWSA-N 435.525 4.015 5 20 IIBD O=C(N[C@H](CCO)c1ccccc1Br)c1cc2cc([N+](=O)[O-])ccc2s1 541980184 WAKJSHRDKPROKS-OAHLLOKOSA-N 435.299 4.426 5 20 IIBD CN(C)CCOc1ccc(-c2noc(-c3csc(-c4cccc([N+](=O)[O-])c4)n3)n2)cc1 544972987 QMIWTUWNAPXLER-UHFFFAOYSA-N 437.481 4.376 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3occc3Br)n2)c(Br)c1 545008995 OFCYPYXGFOXZFT-UHFFFAOYSA-N 429.024 4.354 5 20 IIBD O=c1c2ccccc2[nH]c2ccc(-c3nc(-c4ccc(CN5CCOCC5)cc4)no3)cc12 548359198 FULLPSSZQPNWJE-UHFFFAOYSA-N 438.487 4.231 5 20 IIBD C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1 551230634 ALUBGNVLIBLFKP-VLSFKVKESA-N 434.496 4.013 5 20 IIBD COC(=O)CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)c1ccccc1 555880214 VGSCSNIDRKHEQW-QGZVFWFLSA-N 435.274 4.090 5 20 IIBD C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](CCO)c1ccc(Cl)c(Cl)c1 556921832 FOGLVPSHEAQCHA-KPZWWZAWSA-N 426.300 4.332 5 20 IIBD CC1CCN(c2ccc(C(=O)NCc3nc(-c4ccncc4)cs3)cc2[N+](=O)[O-])CC1 557849045 QGXHUJBFRUBNLE-UHFFFAOYSA-N 437.525 4.280 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])NC1(Cc2ccc(F)cc2Cl)CCOCC1 557920383 VASFEQULARBQFF-UHFFFAOYSA-N 438.908 4.388 5 20 IIBD O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 564533808 RWDULMIWCLMIPK-QGZVFWFLSA-N 435.358 4.188 5 20 IIBD O=C(c1ccc(Br)cc1)N1CCC[C@H]1c1nc(-c2ccc([N+](=O)[O-])s2)no1 570245844 ULKSIMYUNHENRR-LBPRGKRZSA-N 449.286 4.446 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[C@](F)(c2cc(F)cc(F)c2)C1 573787616 DWZAMOKADUJREA-JOCHJYFZSA-N 433.430 4.187 5 20 IIBD Cc1nc2cccc(-c3noc(-c4ccc(Cn5nc(C)c([N+](=O)[O-])c5C)cc4)n3)c2[nH]1 573868131 RZUXCSQKDKAYTK-UHFFFAOYSA-N 429.440 4.358 5 20 IIBD CC(C)(C)OC(=O)c1cc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)nn1-c1ccccc1 574198120 USWFVGKCTKFOKG-UHFFFAOYSA-N 448.479 4.329 5 20 IIBD COc1cc(Cc2noc([C@H]3CCCN3Cc3ccc(F)cc3)n2)c([N+](=O)[O-])c(OC)c1 575472559 FEQNOXSBQDECGA-GOSISDBHSA-N 442.447 4.062 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(c3noc4cc(F)ccc34)CC2)c(Cl)c1 577444329 PUCNIKXHEORIOF-UHFFFAOYSA-N 439.852 4.097 5 20 IIBD CC(C)N(Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N)cc1)C[C@@H]1CCCCO1 581090136 ZSCVULDDNOUFIN-IBGZPJMESA-N 426.517 4.209 5 20 IIBD COc1ccc([C@@H](C)CCNC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 583515037 FNLAUEJOSOMTQZ-HNNXBMFYSA-N 427.501 4.149 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccc(Cl)cc2)C(C)C)cc1OC 590666496 MCVHDIQJFYMHCU-HXUWFJFHSA-N 436.892 4.409 5 20 IIBD C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)Nc2ccccc2)cc1 604033783 ZQGMIZWLADPRQV-HNNXBMFYSA-N 440.481 4.278 5 20 IIBD CCC[C@@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 608851458 VSHBITHZWIRGMF-GOSISDBHSA-N 437.418 4.391 5 20 IIBD COc1cc(CNC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)ccc1OCc1ccccc1 609010315 XHPWBSGZJPLEFO-UHFFFAOYSA-N 436.464 4.050 5 20 IIBD COc1ccc(CSCC(=O)N[C@H](CN2CCCCC2)c2ccccc2)cc1[N+](=O)[O-] 609018433 ZJYMBWHIXJADDE-HXUWFJFHSA-N 443.569 4.180 5 20 IIBD CCN([C@H](C)c1cccc(OC)c1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 609030232 OAUJZVRYZYAWJD-GFCCVEGCSA-N 443.319 4.138 5 20 IIBD COc1ccc(-c2nsc(NC(=O)c3cc(SC)c(OC)cc3[N+](=O)[O-])n2)cc1 609127551 DOZVQLVXSONJMG-UHFFFAOYSA-N 432.483 4.105 5 20 IIBD CC(C)CCSc1ccc(C(=O)NCC2(N3CCCC3)CCOCC2)cc1[N+](=O)[O-] 609190613 MHAVINCHFCQVCR-UHFFFAOYSA-N 435.590 4.108 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1 609454505 USEHRVBXZLZYAU-OAQYLSRUSA-N 447.495 4.106 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccccc1N(C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 609941865 RDXXIKPVFMOBPW-KRWDZBQOSA-N 432.480 4.047 5 20 IIBD COc1cc(CN(C)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(SC)cc1OC 610155846 UZTUWTVSCKYIMI-UHFFFAOYSA-N 445.541 4.206 5 20 IIBD C[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CN(Cc2ccccc2)CCO1 610162251 LPOAZTWWTAVHAH-JTSKRJEESA-N 438.553 4.097 5 20 IIBD COc1cc(C(=O)Nc2ccc(CN3CCc4ccccc43)cc2)cc([N+](=O)[O-])c1OC 610174729 ZFVFUTHZYPDSFO-UHFFFAOYSA-N 433.464 4.427 5 20 IIBD CCOc1ccc2c(c1)[C@@H](NCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])CCO2 614252436 VPBRAXGCSDTSAZ-INIZCTEOSA-N 438.427 4.259 5 20 IIBD CN(Cc1ccccc1)[C@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 618832212 QPXGJTYICZQIIT-SFHVURJKSA-N 436.434 4.030 5 20 IIBD C[C@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F 725820239 CMDPMQRRWMEFME-VIFPVBQESA-N 430.820 4.033 5 20 IIBD COc1cc(C(=O)OCc2csc(-c3cccc(OC)c3OC)n2)ccc1[N+](=O)[O-] 725946084 SDFGIFOXCVVGHX-UHFFFAOYSA-N 430.438 4.101 5 20 IIBD O=C(COC(=O)c1csc(-c2ccccc2Cl)n1)Nc1cc([N+](=O)[O-])ccc1F 727564450 YMPVSNOPPQDLHX-UHFFFAOYSA-N 435.820 4.306 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Oc1cccc(Cl)c1Cl 728575817 FZTHQMRZRGEYSI-UHFFFAOYSA-N 427.059 4.432 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2cccc3ncccc23)cc1SC 728650908 MHQWAIWUPKCZIG-LBPRGKRZSA-N 441.465 4.058 5 20 IIBD COC(=O)Cc1cccc(OC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 731554958 IANFCBFHTBVJDJ-HNNXBMFYSA-N 435.436 4.098 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(/C=C/c3ccnc(-c4cccc([N+](=O)[O-])c4)[n+]3[O-])cs2)c1 733084061 WIUVFKOKFLXFMC-BQYQJAHWSA-N 447.432 4.492 5 20 IIBD Cc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)n[nH]1 733285931 LOOUYKURPFZIDJ-UHFFFAOYSA-N 433.512 4.015 5 20 IIBD COc1cc(CNCc2nc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])cc1OCc1ccccc1 733901009 XVIHEUWCPGTAMS-UHFFFAOYSA-N 445.479 4.257 5 20 IIBD CC(=O)Nc1ccc(S[C@@H](C)C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 735442882 KWWDUYOTZQBRPY-ZDUSSCGKSA-N 441.465 4.432 5 20 IIBD CCCN1C(=S)N[C@H](c2sc(C)nc2C)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)=C1C 736539050 OFNDVRDKMPLLEA-KRWDZBQOSA-N 445.570 4.222 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 736864928 VKGWSNNQOUCTIB-CQSZACIVSA-N 442.859 4.235 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 741957876 PAEZJEZYBAYKOT-GOSISDBHSA-N 437.861 4.200 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N2CCC[C@H]3CCC[C@H]32)cc1 741984783 KZMNBIAJJTWXTK-OXQOHEQNSA-N 444.509 4.076 5 20 IIBD C[C@@H](C(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 742713732 CTDPFTUCINRYGZ-OXQOHEQNSA-N 427.501 4.156 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2sc3ccc(OC)cc3c2C)c([N+](=O)[O-])c1 745339217 JZXZHWUBEJGXPA-UHFFFAOYSA-N 444.465 4.321 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)OCc1ccnc(-c2ccc(Br)cc2)n1 750041861 XMTOCFRBXLAHJY-UHFFFAOYSA-N 428.242 4.100 5 20 IIBD Cc1ccccc1[C@H](C)NC(=O)[C@H](C)OC(=O)c1ccc(Br)cc1[N+](=O)[O-] 750961939 AMSSVCNTIWYQLQ-STQMWFEESA-N 435.274 4.088 5 20 IIBD C[C@@H](Cc1cccc(Br)c1)NC(=O)c1cc([N+](=O)[O-])ccc1Br 751108244 OHVXKHSZAVLNKO-JTQLQIEISA-N 442.107 4.481 5 20 IIBD Cc1cc(F)cc(C(=O)OCc2nc(O)c3ccc(C(F)(F)F)cc3n2)c1[N+](=O)[O-] 752558635 WLBCXZXVBVABEG-UHFFFAOYSA-N 425.294 4.067 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NCC[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1[N+](=O)[O-] 753818264 OAPAEHHHBYCUQY-CRAIPNDOSA-N 428.489 4.016 5 20 IIBD Cn1ncnc1COC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 754482690 QEWOUONNFFVPBU-XNTDXEJSSA-N 435.465 4.007 5 20 IIBD CN(C(=O)COC(=O)c1cc(-c2ccccn2)ccc1Cl)c1ccc([N+](=O)[O-])cc1 755001286 WWTWSCIVVHUTBX-UHFFFAOYSA-N 425.828 4.130 5 20 IIBD CCOCCOc1cc(C)ccc1CNC(=O)c1cccc([N+](=O)[O-])c1Br 758662155 VIEQEDLXUUMIGA-UHFFFAOYSA-N 437.290 4.011 5 20 IIBD Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)ccc1N1CCCC1 761344698 YLQUSVLJYQUMMB-UHFFFAOYSA-N 440.319 4.067 5 20 IIBD Cc1ccc(Br)cc1NC(=O)CCNCc1ccc([N+](=O)[O-])c(Cl)c1 761525372 IZJVOFXPCAUFCI-UHFFFAOYSA-N 426.698 4.438 5 20 IIBD CC(C)(C)OC(=O)NC[C@H](NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)C1CCCCC1 763471853 NQPLOOPCZLYUAF-INIZCTEOSA-N 427.448 4.076 5 20 IIBD COc1cc(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1OCC(F)(F)F 764856254 IOGBEBZXSSTRIZ-UHFFFAOYSA-N 439.434 4.303 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2I)cc1-c1ncco1 766057794 BCJLIDFDZBYTAM-UHFFFAOYSA-N 449.204 4.415 5 20 IIBD Cc1noc(-c2ccccc2)c1NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 766363948 ZYLMDXASYFWYGV-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD COc1ccc(C(C)(C)C(=O)OC2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)cc1 766382692 YAUZCTMBHLFBLM-UHFFFAOYSA-N 428.485 4.102 5 20 IIBD CCOC(=O)N(C)C1CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 767939734 OYWHAQSHVXRGEW-UHFFFAOYSA-N 443.525 4.439 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@H](F)c3ccccc3)cc2)cc1[N+](=O)[O-] 769537781 LUJKYYWGMFBHQW-HXUWFJFHSA-N 443.456 4.353 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2cc(O)nc(C3CC3)c2)c2ccccc2)c([N+](=O)[O-])c1 770589225 GSJCCBXDQPBGFI-QFIPXVFZSA-N 447.447 4.418 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCc2cccc(NC(=O)OC(C)(C)C)c21 773021357 NIFIGMHZEBIIAO-UHFFFAOYSA-N 433.486 4.002 5 20 IIBD CC(C)(C)OC(=O)N1CCc2ncc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2C1 773404767 AITGBYAFNYXOHS-UHFFFAOYSA-N 438.440 4.282 5 20 IIBD O=C1OCCN1c1ccc(S(=O)(=O)Oc2ccc(Cl)c3ccccc23)cc1[N+](=O)[O-] 777845916 XNJBUVIIUKIXNM-UHFFFAOYSA-N 448.840 4.126 5 20 IIBD O=C(Nc1nc2ccc(I)cc2s1)c1cc([N+](=O)[O-])ccc1F 777856577 XVEBCKBNWMZNRO-UHFFFAOYSA-N 443.197 4.201 5 20 IIBD CCCN(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)c2ccccc2)CC1 777978337 UMKASMBIODBZTL-UHFFFAOYSA-N 445.466 4.230 5 20 IIBD Cc1nc(C(=O)OCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c(-c2ccccc2)s1 778854623 DGWDGPRWFRLZFH-UHFFFAOYSA-N 439.449 4.182 5 20 IIBD O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)c1Br 780731790 GOSBNDYKHFHNFJ-UHFFFAOYSA-N 443.172 4.316 5 20 IIBD Cc1cc(COC(=O)c2nn(-c3cccc(C(F)(F)F)c3)c(C)cc2=O)ccc1[N+](=O)[O-] 781173542 VIQUFKBWSPALOM-UHFFFAOYSA-N 447.369 4.133 5 20 IIBD C[C@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCCN(C2CCC2)C1 781449744 VFKOGCMMDHAZLJ-QWHCGFSZSA-N 425.327 4.132 5 20 IIBD Cc1nnc([C@@H](C)OC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)s1 783725964 NKOMVLLHQYOQNK-SSDOTTSWSA-N 428.257 4.165 5 20 IIBD C[C@@H](OC(=O)c1nc(Br)ccc1Br)c1ccccc1[N+](=O)[O-] 784927321 MHWDKGQLDYVKAW-MRVPVSSYSA-N 430.052 4.433 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCCCC[C@@H]1C[C@H](O)c1ccccc1 785223956 WHYXTDAMZVFVBO-UZLBHIALSA-N 445.903 4.082 5 20 IIBD COC[C@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl 785398083 QCEVFVCLTALCTJ-MRXNPFEDSA-N 433.313 4.218 5 20 IIBD COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 787466596 CEAHLLZNXDGZHM-GFCCVEGCSA-N 437.836 4.141 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 790906324 XOKYFTMRTFQOHJ-QGZVFWFLSA-N 444.793 4.131 5 20 IIBD Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-] 791579674 GTRCVPCFSQKNTD-UHFFFAOYSA-N 449.341 4.033 5 20 IIBD COc1cc(C(=O)OCC(=O)N[C@@H](c2ccccc2)c2cccs2)cc([N+](=O)[O-])c1C 791691449 HIPQNCUYTZXJBN-NRFANRHFSA-N 440.477 4.036 5 20 IIBD O=C(Nc1ccc(-c2ccc(Br)s2)nn1)c1cc(F)c(F)cc1[N+](=O)[O-] 797325037 ZEPWXXXHUFLAAL-UHFFFAOYSA-N 441.213 4.406 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(N2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)cc1Cl 799331251 SPROXZKWSVYEFR-CYBMUJFWSA-N 441.912 4.166 5 20 IIBD Cc1sc(Br)c(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1C 799540775 OUMDPQMAIYXJJW-QMMMGPOBSA-N 445.266 4.359 5 20 IIBD O=C(NCc1cnc(-c2ccc(Cl)cc2)s1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 803673225 MAEQQVRAOFLQGE-SFHVURJKSA-N 442.884 4.181 5 20 IIBD COCc1ncc(C(=O)O[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)s1 803901565 XOKOLRBVSVIOAM-LJQANCHMSA-N 441.465 4.043 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)C(C)(C)N2CCCC2)c2ccccc2)c([N+](=O)[O-])c1 805611615 BNZYQBBSPUGGNA-FQEVSTJZSA-N 425.485 4.001 5 20 IIBD CNC(=O)c1ccc(NCc2cccc3c2CCCN3C(=O)OC(C)(C)C)c([N+](=O)[O-])c1 808100013 QOEKPVSCZJMSIJ-UHFFFAOYSA-N 440.500 4.254 5 20 IIBD Cc1cnn([C@@H]2CCN([C@H](C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc3)C2)c1 810119521 CBJPFFQJFUFMRB-NQIIRXRSSA-N 439.903 4.380 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 810345302 FNYWGCKLJDSSMP-LBPRGKRZSA-N 446.301 4.052 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N[C@H]1CCCC[C@H]1c1ccccc1 810356561 MMMBXZXMVNRQSA-RDJZCZTQSA-N 446.301 4.138 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 813291669 YJGOGHSHAMVKKE-XSFVSMFZSA-N 430.424 4.041 5 20 IIBD C[C@@H](NC(=O)N1CCC2(CC1)CCN(C(=O)OC(C)(C)C)C2)c1cccc([N+](=O)[O-])c1 814286101 XZVOIRAHBFIGIS-MRXNPFEDSA-N 432.521 4.088 5 20 IIBD CCCCCCNC(=O)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 815162766 IXGGUFMVCCOABO-CQSZACIVSA-N 429.439 4.162 5 20 IIBD C[C@H](Cc1cnc2ccccc2n1)C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1 815465829 NHJOUXYYXFTPLD-GFCCVEGCSA-N 430.258 4.223 5 20 IIBD C[C@H](c1ccc(F)cc1)N1CCC[C@@H](OC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1=O 816402384 IXNWSCDCFHTLIE-SPLOXXLWSA-N 439.443 4.053 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCC(OC(=O)N(C)C)CC3)cc2[N+](=O)[O-])cc1 818683887 MPPRVLYHYXLWME-UHFFFAOYSA-N 443.525 4.357 5 20 IIBD O=C(OCc1cnn(Cc2ccccc2)c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 915844729 FBFLGUTZAMAFCU-UHFFFAOYSA-N 435.358 4.138 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 916375190 MZOXSDVYZVWDFJ-FQEVSTJZSA-N 439.374 4.068 5 20 IIBD C[C@@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cc2c(cc1Br)OCCO2 917787605 JPPQGNRGCDTCFD-SECBINFHSA-N 441.665 4.273 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)cc1[N+](=O)[O-] 920013819 FZXGYASGVDJZLV-UHFFFAOYSA-N 434.380 4.389 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O[C@H](C)C(=O)c1ccc(OC(F)F)cc1 920778476 SIZGARYDQRWEHQ-GHMZBOCLSA-N 443.786 4.432 5 20 IIBD COCCN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@@H](C)c1cccc(C(F)(F)F)c1 921265936 BXSCHWNCNQDGOK-ZDUSSCGKSA-N 444.381 4.368 5 20 IIBD CCCN(Cc1nc(O)c2sccc2n1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 1116710361 WKZVWCMLHGGOFT-UHFFFAOYSA-N 444.516 4.444 5 20 IIBD CCc1ccc(-c2nnc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)o2)cc1[N+](=O)[O-] 1117205364 AWRSJUREECOEHX-UHFFFAOYSA-N 442.497 4.049 5 20 IIBD C[C@H](OC(=O)CCn1cc([N+](=O)[O-])cn1)c1ncc(-c2ccc(Cl)c(Cl)c2)o1 1319518257 HNPLTUXBIIEPKB-JTQLQIEISA-N 425.228 4.448 5 20 IIBD CC(C)n1cc2c(n1)[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])CCC2 1319941754 PNLXGEHFDYLNRZ-ZDUSSCGKSA-N 433.317 4.035 5 20 IIBD O=C1Nc2ccccc2[C@H]1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 1324952788 GQTNDYSLOHTSAN-GOSISDBHSA-N 433.386 4.202 5 20 IIBD O=C(Cc1c[nH]c2cnccc12)Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1 1326804046 RSKXRPXICPNEII-UHFFFAOYSA-N 441.399 4.393 5 20 IIBD Cc1nocc1C(=O)NC1(c2ccc(NC(=O)c3cccc(F)c3[N+](=O)[O-])cc2)CCC1 1790698396 MXFGAGRMKNBNDC-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD Cc1cc(CCCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CC(C)(C)C)C3)c([N+](=O)[O-])cc1F 1793402165 OADSZCFSDNISBE-REPLKXPHSA-N 447.551 4.439 5 20 IIBD CC1=CC[C@@H](C(=O)N2CCC3(CCCN(C(=O)/C=C/c4ccc([N+](=O)[O-])o4)C3)CC2)CC1 1805684821 ZWKPDVBPGOBUFB-QRBZPYHOSA-N 441.528 4.179 5 20 IIBD CC(C)(C)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)[nH]n1 1816760638 LPBLAADIDCFZGN-QGZVFWFLSA-N 431.468 4.199 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1)c1ccc2ccoc2c1 1821454395 SIPLIQLMRWAIBA-MRXNPFEDSA-N 449.423 4.277 5 20 IIBD C/C=C(/C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 1824158023 HUPLQTGCHAQUPD-SAMDCNTISA-N 447.963 4.377 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@@H]2CCCCN2C(=O)/C=C/C2CCCC2)CC1 1830346792 PHXCSRWWHXEEQZ-RQMBKDMJSA-N 429.517 4.168 5 20 IIBD C/C=C(/C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(F)ccc([N+](=O)[O-])c2C)CC1 1830729312 MIEWHIHDTFKVNR-CCJGRBBLSA-N 431.508 4.242 5 20 IIBD O=C(c1ccco1)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1832903305 ZCISFAHIECVLGU-CFGKVWFZSA-N 437.496 4.135 5 20 IIBD COc1ccc(Nc2nc(COC(=O)c3cc(OC)c(OC)cc3[N+](=O)[O-])cs2)cc1 9024018 VUHGDQZCPGNZAA-UHFFFAOYSA-N 445.453 4.178 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1C 9459179 KHLIOZRTLMXCQI-NSHDSACASA-N 447.904 4.172 5 20 IIBD CCOC(=O)c1cc(C(=O)O[C@H](C)C(=O)Nc2cccc3ccccc23)cc([N+](=O)[O-])c1 10856587 BASCPBCDWBLUEO-CQSZACIVSA-N 436.420 4.109 5 20 IIBD CCOc1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C(C)C)cc1OCC 16709377 XTGOZNBHARGJGC-HXUWFJFHSA-N 431.445 4.428 5 20 IIBD Cc1cc(=O)c(C(=O)N(C)Cc2ccc(Cl)cc2Cl)nn1-c1ccccc1[N+](=O)[O-] 21898368 USHADZKFTWCCGN-UHFFFAOYSA-N 447.278 4.028 5 20 IIBD Cc1nc(-c2cccs2)c(CC(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 21998843 ZZSSBAHFUWJEQW-UHFFFAOYSA-N 431.495 4.121 5 20 IIBD CCOC(=O)c1c(-c2ccco2)csc1NC(=O)CN(C)Cc1ccccc1[N+](=O)[O-] 26347395 REWGFVZHKWVEFR-UHFFFAOYSA-N 443.481 4.164 5 20 IIBD O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] 28608947 HDNFLDAZBXAJOT-UHFFFAOYSA-N 446.492 4.027 5 20 IIBD Cc1ccc(-c2cnc(CCC(=O)O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)o2)cc1 28647985 ACMVYYSEWYCHMT-INIZCTEOSA-N 437.452 4.370 5 20 IIBD CSc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 57530764 ZORNJZQKIJNOMA-UHFFFAOYSA-N 443.506 4.370 5 20 IIBD O=C(NC[C@H]1CC2c3ccccc3C1c1ccccc12)c1cc2c(cc1[N+](=O)[O-])OCCO2 69728327 HMXNPVSDOXSXKZ-IDLPSRMPSA-N 442.471 4.393 5 20 IIBD O=C(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)Nc1cc(Cl)c(Cl)cc1Cl 72066300 ZGPPEHZTJWBUHL-UHFFFAOYSA-N 426.647 4.452 5 20 IIBD CC1CCC(NS(=O)(=O)c2ccc(N(C)[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 79089315 JBTUDNZIDXHVGQ-AQFXKWCLSA-N 432.546 4.044 5 20 IIBD Cc1cc(=O)c(C(=O)Nc2cccc(Nc3ccccc3)c2)nn1-c1ccccc1[N+](=O)[O-] 96968583 DVYFCRMVRDCJTE-UHFFFAOYSA-N 441.447 4.445 5 20 IIBD O=C(CCn1cc([N+](=O)[O-])cn1)NC1(Cc2ccc(Br)cc2)CCCCC1 110210290 YCWLOZZLYLAZGW-UHFFFAOYSA-N 435.322 4.006 5 20 IIBD COc1ccc([C@H](Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c2ccc(F)cc2)cc1 301931935 MGABSDVKQNLCNT-GOSISDBHSA-N 436.486 4.409 5 20 IIBD CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 303418189 XIHARVPATMLPRO-WMZOPIPTSA-N 429.904 4.163 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Br)ccc1Br 388910704 UEGGQESAWPICCH-UHFFFAOYSA-N 430.052 4.381 5 20 IIBD CC[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccccc1OCC(=O)N1CCCC1 409751234 POCIFUDYYIBSSQ-SFHVURJKSA-N 440.500 4.177 5 20 IIBD O=C(C[C@H]1C=CCC1)Nc1ccccc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 409982834 XLJIQCDUHCTZRT-INIZCTEOSA-N 431.452 4.328 5 20 IIBD O=C(O)[C@H](Cc1ccccc1[N+](=O)[O-])NCc1csc(COc2ccc(Cl)cc2)n1 426807281 HIAJQQAHLIBKGH-KRWDZBQOSA-N 447.900 4.069 5 20 IIBD COc1cccc([C@H](CC(=O)O)NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1OC 426812023 PLKBIZAMQUAYSR-SFHVURJKSA-N 426.425 4.178 5 20 IIBD CCn1c([C@H]2CCCN2C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)nc2ccccc21 428019402 DQGOIJLNPPSFPH-HXUWFJFHSA-N 445.479 4.255 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC[C@H]4CN(C)CC[C@@H]43)cc2[N+](=O)[O-])n1 428722206 OULWOOUYLMUBAV-HOTGVXAUSA-N 432.571 4.067 5 20 IIBD CCCc1c(NC(=O)c2cc(C(=O)OCC)cc([N+](=O)[O-])c2)cnn1-c1ccc(F)cc1 429334762 PVEJSJYBXHVEQM-UHFFFAOYSA-N 440.431 4.301 5 20 IIBD Cc1cc([C@H]2CCCN2S(=O)(=O)Cc2ccccc2[N+](=O)[O-])ccc1Br 430007803 RRLWERVGNKAWRV-QGZVFWFLSA-N 439.331 4.333 5 20 IIBD C[C@H](C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1OCCc2sccc21 431025113 XNQOJDFPCRCUMO-GTNSWQLSSA-N 443.447 4.153 5 20 IIBD CC(C)c1[nH]nc(C(=O)NC[C@H](C)Sc2ccc(Br)cc2)c1[N+](=O)[O-] 433777074 ZJMQSHUPEDUJLK-JTQLQIEISA-N 427.324 4.114 5 20 IIBD COc1ccccc1N1CCC(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC1 436234311 ROZBXDKZNRKVDK-UHFFFAOYSA-N 445.494 4.228 5 20 IIBD Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 436353416 RVGCGBNIHAXJSO-QFIPXVFZSA-N 443.528 4.144 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccc(OC(F)F)c(F)c1 438819317 OIRLUEHXLKFGKO-UHFFFAOYSA-N 431.175 4.443 5 20 IIBD COC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C[C@H](C)O1 439947551 WSYXPADATCZTQD-XJKSGUPXSA-N 436.917 4.275 5 20 IIBD Cc1ccc(OCCCC(=O)Nc2ccc(CNc3ncc([N+](=O)[O-])s3)cc2)cc1 443513231 AQFDPTWDBWGKLX-UHFFFAOYSA-N 426.498 4.770 5 20 IIBD C[C@]1(c2cc3ccccc3o2)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1=O 448104110 ASRNABVQTCLPHE-LJQANCHMSA-N 433.342 4.327 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 460213655 FETSYKJEUBNEEI-QZTJIDSGSA-N 447.417 4.204 5 20 IIBD Cc1ccc(C(C)(C)CN(C)C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 460540756 XKQKKZKFAXGBFC-QFIPXVFZSA-N 437.540 4.252 5 20 IIBD O=C(NCc1ccc(Oc2ccccc2F)c(F)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 460667613 IYRXBFFTEQZRHT-UHFFFAOYSA-N 442.374 4.367 5 20 IIBD C[C@H]1[C@H](c2ccccc2)C[C@@H](C)N1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 462404000 VMUVXVBJIKXJMI-DVOMOZLQSA-N 439.331 4.313 5 20 IIBD COc1cc(CN2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)c([N+](=O)[O-])cc1OCC(F)F 463204899 TWCZROMWZMOMNK-ITQYTPKQSA-N 442.503 4.399 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(Cc2nnc3n2CCCCC3)cc1 464097026 CZRZQOKOOQOPCX-UHFFFAOYSA-N 444.495 4.166 5 20 IIBD CC[C@@H]1Oc2cc([C@@H](C)NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)ccc2NC1=O 465360255 VXXSBRMPZNQPBZ-VFVRVIDISA-N 429.498 4.062 5 20 IIBD CC[C@H](NC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21)c1cccc([N+](=O)[O-])c1 469529457 QACNQLNTIFYSGW-HOTGVXAUSA-N 432.274 4.051 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 469598350 GLMIAAHBLLEPCC-ZDUSSCGKSA-N 430.534 4.373 5 20 IIBD CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 470668029 CZOLPXBFFDTQLL-UHFFFAOYSA-N 428.417 4.466 5 20 IIBD COc1c(CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)oc2ccccc12 473703795 ALMDSEDLGIVRQB-UHFFFAOYSA-N 425.441 4.103 5 20 IIBD O=[N+]([O-])c1ccc(CN[C@H](CO)c2ccc(Br)cc2C(F)(F)F)c(F)c1 475620268 FHPDSZLQGLKQIY-OAHLLOKOSA-N 437.187 4.338 5 20 IIBD CC(C)c1ccccc1-n1c(SCc2c([N+](=O)[O-])ncn2C)nc2ccccc2c1=O 476469550 CBVWNYCAEQNJGC-UHFFFAOYSA-N 435.509 4.443 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 478060860 OKLSWMJEULWLEQ-CQSZACIVSA-N 425.510 4.403 5 20 IIBD COc1cc(CN[C@H]2CCN(Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F 481182090 OTEYLZSCNFXCGC-QAPCUYQASA-N 435.471 4.205 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H](C(=O)Nc1ccccc1)c1ccccc1 481990751 JOQDZWNUSYGQFJ-QHCPKHFHSA-N 432.480 4.283 5 20 IIBD CCc1c(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cnn1C(CC)CC 482710242 DFUOVWLUZXXLDX-UHFFFAOYSA-N 443.533 4.247 5 20 IIBD Cc1nn(CCC(=O)Nc2cnn(-c3ccc(Cl)cc3)c2C(C)C)c(C)c1[N+](=O)[O-] 482737337 YNFWEXUIOKGRGK-UHFFFAOYSA-N 430.896 4.399 5 20 IIBD O=[N+]([O-])c1cc(CNc2nc3ccccc3nc2N2CCOCC2)cc(C(F)(F)F)c1 485995684 HRERTRWGTAWRLQ-UHFFFAOYSA-N 433.390 4.006 5 20 IIBD COc1cc([C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C(F)(F)F)cc(OC)c1OC 486792985 FSGULJDRKKUYGH-INIZCTEOSA-N 429.351 4.046 5 20 IIBD COC(=O)c1cc(NC(=O)N(C)CCCOc2cccc(Cl)c2)c(C)c([N+](=O)[O-])c1 486857245 KURSTLVDFDDMMG-UHFFFAOYSA-N 435.864 4.276 5 20 IIBD Cc1nc(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)sc1Cc1ccc(F)cc1F 487614763 IACXUZYAUJQAEN-UHFFFAOYSA-N 435.456 4.071 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(C)c(C(=O)N(C)C(C)C)c2)cc1[N+](=O)[O-] 488167922 GZBQGVRDWHYFDM-UHFFFAOYSA-N 445.541 4.264 5 20 IIBD COC(=O)C(C)(C)c1ccc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 488491831 DLIIDDSNVRKRAX-UHFFFAOYSA-N 439.390 4.386 5 20 IIBD O=C(Cn1cccn1)Nc1cccc(CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 490190567 KADGWGPSFSQVDS-VWLOTQADSA-N 441.491 4.309 5 20 IIBD C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 493005679 SOEKJHDYBRBFSG-LBPRGKRZSA-N 436.295 4.211 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H](c1ccccc1OC(F)F)C(F)(F)F 493536444 IBBSSQVHGMGJGT-MRXNPFEDSA-N 433.333 4.418 5 20 IIBD CN(CCOc1ccc(Br)cc1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 497774158 FQQGTQATUGVQFO-UHFFFAOYSA-N 430.258 4.057 5 20 IIBD O=C(c1ccc(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1)N1CCc2ccccc21 498651462 IWWSCQDZMNBVKF-UHFFFAOYSA-N 441.447 4.460 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NCC1CCSCC1 499348445 HKUCRFIRHBWDAS-UHFFFAOYSA-N 436.537 4.249 5 20 IIBD CCCN(CC(C)C)C(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 499662080 VDZWLHARYMJYNA-UHFFFAOYSA-N 433.530 4.212 5 20 IIBD COc1cc(C(=O)Nc2nc3c(F)c(F)ccc3s2)c([N+](=O)[O-])cc1OC(F)F 500649741 KWCIAXUMFYOZHX-UHFFFAOYSA-N 431.323 4.345 5 20 IIBD O=C(CCN1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1)Nc1ccccc1[N+](=O)[O-] 501921406 VPXWCEDLXRKBGQ-HOYKHHGWSA-N 447.495 4.027 5 20 IIBD CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 502890459 APVGUZTUKNPTKT-UHFFFAOYSA-N 438.267 4.248 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 506197858 BONLYBFVZSFXRD-MRXNPFEDSA-N 446.504 4.272 5 20 IIBD CC[C@@H](C)Sc1ccc(NC(=O)C(=O)N(C)CCc2ccccc2[N+](=O)[O-])c(C)c1 506762069 YXGDIHHRRFXMHV-MRXNPFEDSA-N 429.542 4.433 5 20 IIBD COc1ccccc1-c1ccc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1 509818846 IOQDRDMEDPISPA-UHFFFAOYSA-N 437.521 4.290 5 20 IIBD COC(=O)C[C@@H](C)NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 510121728 XGYOENWVNXPATR-IZCBMXNHSA-N 439.493 4.203 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 512263340 RRROVPGIVPMEHL-SBUREZEXSA-N 442.947 4.173 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 512841285 ZPPVPSRIPRGJDC-SFHVURJKSA-N 436.434 4.030 5 20 IIBD CN(C(=O)Cc1ccc(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1)c1ccccc1 515657011 IRTTURIJYUEASF-UHFFFAOYSA-N 443.463 4.462 5 20 IIBD Cc1c(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cnn1-c1ccc(Br)cc1 515681899 MSRXMTHKOBHZBS-LBPRGKRZSA-N 429.274 4.342 5 20 IIBD O=C(NCc1ccccc1Oc1cccc(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 518671250 VVDNJTZUAOTKAX-UHFFFAOYSA-N 443.818 4.435 5 20 IIBD CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 520098179 OOQOSIRWZFXQPS-STQMWFEESA-N 449.891 4.082 5 20 IIBD COc1cc(C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)c([N+](=O)[O-])cc1OCc1cscn1 520708631 MKBAIXCEXRROPF-BVOVVCLWSA-N 443.525 4.193 5 20 IIBD COc1cc(C(=O)N(C)CCn2cccn2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 521967109 QGORMNHMZUMNJB-UHFFFAOYSA-N 430.848 4.018 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 522341890 ZXOGLMZIHQOCQG-JTQLQIEISA-N 437.239 4.035 5 20 IIBD COc1ccc(NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)cc1NC(=O)C1CCCCC1 522518427 QTJNMAZQQQELMS-UHFFFAOYSA-N 441.484 4.312 5 20 IIBD COC[C@H](C)CNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 522767911 GXKQCGSUBMLFMC-GFCCVEGCSA-N 425.844 4.261 5 20 IIBD CC(=O)Nc1ccc(F)c(C(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)c1 522815951 FYPUOXLATACBJY-UHFFFAOYSA-N 449.398 4.390 5 20 IIBD Cc1c(NC(=O)NC2(c3cccc(Br)c3)CCOCC2)cccc1[N+](=O)[O-] 522969157 OMGNOEDVSNAUOM-UHFFFAOYSA-N 434.290 4.493 5 20 IIBD CN(C)CCOc1ccc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1Cl 523968369 PLFXMVRBEYIWHF-UHFFFAOYSA-N 442.299 4.250 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCc1nn(-c2ccccc2)c2c1CCC2 524740248 HBQDXELGPPGDIZ-UHFFFAOYSA-N 433.512 4.091 5 20 IIBD COc1cc(C(=O)N2CCC(Oc3ccc(C(C)C)cc3)CC2)cc([N+](=O)[O-])c1OC 525043116 FPXGSLCFRLEKRJ-UHFFFAOYSA-N 428.485 4.419 5 20 IIBD CN(C)C(=O)C[C@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc21 525608495 ZKSNXLHTUBXQJR-HNNXBMFYSA-N 444.919 4.049 5 20 IIBD COc1cc(CNc2cccc(-n3cnnn3)c2C)c([N+](=O)[O-])cc1OCc1ccccc1 537723669 MNDQIGRVPLNPGH-UHFFFAOYSA-N 446.467 4.079 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 538043073 YEDQIOASUIGBHU-FKIZINRSSA-N 446.301 4.274 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CC(=O)N2CCCC2)CC1 539636222 WGRHYQOALGRHTC-UHFFFAOYSA-N 433.574 4.352 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1cccc(-c2ncc[nH]2)c1 539750990 GCBPXYJKBMBLSQ-UHFFFAOYSA-N 433.390 4.122 5 20 IIBD COc1ccccc1COC1CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 539887079 PYVOASMWBBMLKJ-INIZCTEOSA-N 438.484 4.396 5 20 IIBD C[C@H](Nc1cccc(C(=O)NCCC(N)=O)c1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 540836329 UAPASIMVJPVQGI-AWEZNQCLSA-N 438.509 4.102 5 20 IIBD COc1cc(CN[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OCC(F)F 542689464 FRCLXZBCJSMGOQ-FUHWJXTLSA-N 440.418 4.396 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1sc(-c2ccccc2)nc1C 543518974 SVOZFCYRUNMSIH-CYBMUJFWSA-N 426.498 4.325 5 20 IIBD O=c1oc2cc([N+](=O)[O-])ccc2n1CCCc1nc(Cc2c(Cl)cccc2Cl)no1 544921007 XBGYJMMSCOLTMA-UHFFFAOYSA-N 449.250 4.416 5 20 IIBD O=[N+]([O-])c1ccc(-n2ccc(-c3nc(Cc4nc5ccccc5n4C(F)F)no3)n2)cc1 546323990 KZMGZIJATLQPKZ-UHFFFAOYSA-N 437.366 4.166 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1OCCc1nc(Cc2ccc(-n3cccn3)cc2)no1 546335176 JEOAGUZDDRQLLQ-UHFFFAOYSA-N 425.832 4.029 5 20 IIBD COc1ccc(Cl)cc1N1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 547240303 LWQROQQDISNXBR-AWEZNQCLSA-N 435.883 4.069 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@H](CO)c1ccc(C(F)(F)F)cc1 548116182 ZZMXLPZNPUFGDZ-CYBMUJFWSA-N 437.296 4.488 5 20 IIBD COc1cccc(CN(C)C(=O)c2cccc([N+](=O)[O-])c2N)c1OCc1ccccc1F 549148637 ZLRBLPIMDRCHSA-UHFFFAOYSA-N 439.443 4.176 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 552265598 GCQBCCYYKCHUGE-JOCHJYFZSA-N 431.492 4.157 5 20 IIBD C[C@@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1OCCc2sccc21 552613616 PUZNLGKGEUDGDK-ADLMAVQZSA-N 443.447 4.296 5 20 IIBD CCn1c(COc2ccc(C)cc2)nnc1Sc1ncnc2sc([N+](=O)[O-])cc12 553149133 WWICYPNGWLXRDX-UHFFFAOYSA-N 428.499 4.250 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CC(C)C)[C@@H](C)c1ccccc1Cl 556532900 AOOGZMZEUQKSOK-AWEZNQCLSA-N 433.892 4.441 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] 556540892 JLJPVISRSIOBMD-CHWSQXEVSA-N 429.439 4.316 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 560995078 NPDVZBYWRXNNIM-UHFFFAOYSA-N 436.365 4.253 5 20 IIBD Cc1ccc(CNC(=O)c2cccc(CNC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)c2)cc1 569654905 NZNGIJPVSNOSKH-GOSISDBHSA-N 431.492 4.253 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2ccncc2)cc1[N+](=O)[O-] 572547855 HVCYXLRNXODBPV-NRFANRHFSA-N 432.480 4.132 5 20 IIBD COc1cc2c(cc1Cl)CN(C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])CC2 576426013 UZAIGVDZOOWSAM-NSHDSACASA-N 425.268 4.262 5 20 IIBD O=C1CCCN1Cc1cccc(-c2noc(-c3cc([N+](=O)[O-])ccc3C(F)(F)F)n2)c1 578458093 ZIPKYZDHUUDYFE-UHFFFAOYSA-N 432.358 4.453 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)N1CCOc2ccc([N+](=O)[O-])cc2C1 580262012 FTIWYLOBQDPKSA-CQSZACIVSA-N 447.875 4.090 5 20 IIBD CC(C)(C1=CCCCC1)c1noc([C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 581633912 OJMZHRXTJUMAOO-SFHVURJKSA-N 446.529 4.282 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1cnc(SC2CCCC2)nc1 584550276 JKDDZRPPAOTGCT-SFHVURJKSA-N 428.558 4.347 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CN[C@@H]2COc3c(Cl)cccc32)c1 589314833 ZMBJLNFPFLGSBY-CQSZACIVSA-N 430.629 4.076 5 20 IIBD C[C@@H](Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)c1ccc(Oc2ccccc2)c(F)c1 600848685 IOJHZSYZPXJSIN-CYBMUJFWSA-N 431.445 4.347 5 20 IIBD COc1cc(CCNC(=O)Nc2cccc(OC3CCCC3)c2)c([N+](=O)[O-])cc1OC 603657392 KWNYBMYMWKVTOE-UHFFFAOYSA-N 429.473 4.298 5 20 IIBD COc1ccc(CNC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1[N+](=O)[O-] 604105702 ZHUINAXSEGCXDF-UHFFFAOYSA-N 426.498 4.302 5 20 IIBD O=C(Nc1ccccc1NC(=O)c1cccs1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 608810284 HMYSTPZAFVTFIY-UHFFFAOYSA-N 433.449 4.347 5 20 IIBD CN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)(C)c1ccc2c(c1)OCO2 609856960 JKPDKGUBXKMAFS-UHFFFAOYSA-N 425.466 4.454 5 20 IIBD O=C(CCCc1cccc(Br)c1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 610753208 QVDHKPGOWNVEEG-UHFFFAOYSA-N 435.274 4.480 5 20 IIBD O=[N+]([O-])c1ccc2ncnc(NCC3(c4ccc(Br)cc4)CCOCC3)c2c1 611709412 ICMIPVIPWAIEHH-UHFFFAOYSA-N 443.301 4.461 5 20 IIBD Cn1ccnc1[C@@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 612634131 BYFXISWMBPDWKF-IBGZPJMESA-N 447.417 4.055 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(c2ccccc2C(F)(F)F)CC1 619491280 YWEMNBVWJXDELG-UHFFFAOYSA-N 444.431 4.191 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1c(OC(C)C)ccc2ccccc12 619497065 ACQQQZUSPHOQJM-UHFFFAOYSA-N 430.482 4.022 5 20 IIBD CC[C@H]1CN(C)c2ccccc2CN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 674819413 UWGIUXYTMDLXAP-FQEVSTJZSA-N 425.532 4.412 5 20 IIBD Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2Br)c(C)c1 725985286 PUVVTCOIXZXQLO-ZDUSSCGKSA-N 435.274 4.467 5 20 IIBD O=C1Nc2cc(Cl)ccc2C1=C1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 726378296 MIGAGJMLKCLMLV-UHFFFAOYSA-N 436.855 4.371 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CCC(C3CCCCC3)CC2)ccc1[N+](=O)[O-] 726502714 DNQRBFDREYNXJT-JOCHJYFZSA-N 427.545 4.327 5 20 IIBD O=C(COC(=O)[C@H](OC1CCCC1)c1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl 727017383 MCFKTZIBHAJMNW-HXUWFJFHSA-N 432.860 4.430 5 20 IIBD CC(C)[C@@H](SCc1ccccc1)C(=O)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 727631723 KUTHJVGWMMPLGX-MRXNPFEDSA-N 442.946 4.011 5 20 IIBD COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)c1 727664170 NDRBTMGJWPYSDX-UHFFFAOYSA-N 431.445 4.140 5 20 IIBD COc1ccc([C@@H](C)OC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1Cl 728772486 IBGUTXYGBCEJLR-LLVKDONJSA-N 448.888 4.455 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccccc1N(C)C(=O)c1ccco1 730999849 OVEPSTPMEBPKSE-UHFFFAOYSA-N 427.844 4.390 5 20 IIBD Cc1nn(C)c(Cl)c1COC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 731717801 YWHFIXDSUAKFLU-ZDUSSCGKSA-N 429.864 4.215 5 20 IIBD O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)c1csc(-c2cccc([N+](=O)[O-])c2)n1 732299223 XGTUUJNOXRATLC-INIZCTEOSA-N 438.292 4.489 5 20 IIBD C[C@H]1CN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](C)N1C(=O)OC(C)(C)C 733196128 GVIODOGMNZBHCK-QLFBSQMISA-N 431.493 4.036 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)Nc1ccc(Oc2ccc(Cl)nn2)cc1 733637148 FIZBMLWJZRXVAW-UHFFFAOYSA-N 429.820 4.031 5 20 IIBD COc1ccc(CSCC(=O)N[C@H](c2ccccc2)C2CCOCC2)cc1[N+](=O)[O-] 734349554 HKDZPMOAOIQFCU-JOCHJYFZSA-N 430.526 4.121 5 20 IIBD CCOC(=O)c1oc2ccccc2c1COC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 735351606 BFGMIRSYUPDDBW-UHFFFAOYSA-N 436.376 4.129 5 20 IIBD COc1ccc([C@@H]2[C@@H](COC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC(=O)N2C)cc1 735781869 LHUOPTCUANZORY-QVKFZJNVSA-N 440.477 4.195 5 20 IIBD O=C(COC(=O)c1cc(F)ccc1[N+](=O)[O-])N[C@@H](c1ccccc1)c1cccc(Cl)c1 743199412 IGSUWUWWXUUDHE-NRFANRHFSA-N 442.830 4.450 5 20 IIBD C[C@@H](OC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(=O)Nc1ccc(C(C)(C)C)cc1 744742495 NMDUPGFALMPFQB-OAHLLOKOSA-N 436.468 4.262 5 20 IIBD Cc1nn(CCC(=O)O[C@H](C)C(=O)c2ccc(Oc3ccccc3)cc2)c(C)c1[N+](=O)[O-] 744922377 ZSEWHNCZLANJEP-QGZVFWFLSA-N 437.452 4.405 5 20 IIBD CCN(CC1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1)C(=O)OC(C)(C)C 745988195 QRXJWQOPJZOIBV-UHFFFAOYSA-N 445.520 4.114 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F 748547514 RQTWJMAUERIFNU-DIFFPNOSSA-N 448.850 4.295 5 20 IIBD Cc1c(C(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748707721 BIOQZCMTWGRYIG-LJQANCHMSA-N 446.891 4.340 5 20 IIBD Cc1c(C(=O)OCC(=O)Nc2ccc(C(C)(C)C)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748950777 NXDHPFVKWYDQPD-UHFFFAOYSA-N 429.429 4.213 5 20 IIBD Cc1ccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1NC(=O)CN1CCCCC1 749925558 CWFBMZVACSXAMA-UHFFFAOYSA-N 430.892 4.233 5 20 IIBD C[C@H](NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 750682338 DDYPGFNSXACXIB-STQMWFEESA-N 426.901 4.405 5 20 IIBD COC(=O)N(C)Cc1ccc(NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1 755023283 FDZYMLOGRBQWIK-UHFFFAOYSA-N 437.250 4.200 5 20 IIBD COc1cc(Br)ccc1-c1noc([C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 762310325 UDPIFXRQESJWDS-INIZCTEOSA-N 445.229 4.282 5 20 IIBD Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)o1 763399930 ACTBKAMPEUORJK-ZDUSSCGKSA-N 434.408 4.455 5 20 IIBD Cc1nn(CN2CCO[C@H](c3ccc(Br)cc3)C2)c2ccc([N+](=O)[O-])cc12 764915153 LKEVKGWYINIBTG-IBGZPJMESA-N 431.290 4.046 5 20 IIBD C[C@H]1CN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC[C@@H]1NC(=O)OC(C)(C)C 765036902 WQOKOEQYJKANJT-WMZOPIPTSA-N 442.516 4.308 5 20 IIBD O=C(OCc1nncn1C1CC1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 765611321 WQBPXBCDMCJBOV-UHFFFAOYSA-N 427.848 4.144 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 765722144 BCJKDPHQCULGEA-NRFANRHFSA-N 435.546 4.180 5 20 IIBD CCn1cc(C(=O)OCc2cc(OC)c(F)cc2[N+](=O)[O-])c(=O)c2cc(Cl)ccc21 766188456 RCCXDGILVOJTTK-UHFFFAOYSA-N 434.807 4.088 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F 767666867 YIUKBWGHGTYWEH-CYBMUJFWSA-N 430.738 4.108 5 20 IIBD COc1cc(N[C@H]2CCCN(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C2)cc(OC)c1 768953597 WQNAHDMKEZUOHN-AWEZNQCLSA-N 434.880 4.374 5 20 IIBD CN(C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H](CO)c1cccc(Br)c1 770006752 AQTCABMMRPPTLP-HNNXBMFYSA-N 428.670 4.208 5 20 IIBD C[C@@H](NC(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)[C@H]1CN(C)CCO1 771766137 TYWICRZBTCIZTA-MZNJEOGPSA-N 428.532 4.382 5 20 IIBD Cc1ccc(F)cc1NC(=O)[C@@H](C)OC(=O)c1sc(Br)cc1[N+](=O)[O-] 773603114 MAPTWUYPAGOAQD-MRVPVSSYSA-N 431.239 4.050 5 20 IIBD O=C(OCc1nc(-c2ccccc2Cl)cs1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 774954357 ZNAJUDCJTIGOHP-UHFFFAOYSA-N 441.856 4.309 5 20 IIBD CCc1ccc(N2C[C@H](C(=O)O[C@@H](c3cccnc3)c3ccccc3[N+](=O)[O-])CC2=O)cc1 776130389 AHCCOVOUZBDSOC-DVECYGJZSA-N 445.475 4.238 5 20 IIBD C[C@@H](CC(=O)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])NC(=O)C1CCCCC1 776131956 GHLQQCVXRLASCI-KSFYIVLOSA-N 425.485 4.098 5 20 IIBD O=C(COC(=O)c1coc(-c2ccccc2Cl)n1)Nc1ccc(Cl)cc1[N+](=O)[O-] 776439600 IEJINVDIHPEATP-UHFFFAOYSA-N 436.207 4.352 5 20 IIBD O=C(Cc1ccc(F)cc1Br)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 776841074 HTMGUBACDDBEGP-UHFFFAOYSA-N 435.205 4.437 5 20 IIBD COc1ccc(N(Cc2ccco2)S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc1F 777932862 CKISKAQGAMVDFB-UHFFFAOYSA-N 438.408 4.179 5 20 IIBD CC(C)[C@H]1C[C@H](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)CCO1 781629023 RCQNUQDNHILSTP-DNVCBOLYSA-N 443.466 4.104 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cc(F)c(N2CCCCC2)c(F)c1 781718425 TUNSAKNXONFPBK-UHFFFAOYSA-N 434.399 4.343 5 20 IIBD COc1ccc(NC(=O)c2cccn2C2CCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] 782809973 HGLUBGYBOUGYNM-UHFFFAOYSA-N 444.488 4.229 5 20 IIBD Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 784194475 UIMWILUOVGFVKR-UHFFFAOYSA-N 436.512 4.286 5 20 IIBD Cc1ccc(C)c([C@H](C)N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2Br)c1 784691587 AAAAMBKULYIXDJ-AWEZNQCLSA-N 448.317 4.441 5 20 IIBD CCCC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 785951738 XXMPYMRYVCHWMO-CYBMUJFWSA-N 432.860 4.344 5 20 IIBD CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)OCc1ncc(C)c([N+](=O)[O-])c1C)O[C@H](C)C2 789437579 NIQZPPGAEMCYQL-RPVQJOFSSA-N 426.469 4.176 5 20 IIBD CCn1cc([C@H](O)CN(Cc2ccccc2)c2ccc([N+](=O)[O-])c(OC(F)F)c2)cn1 790790693 JGZOTRBSNOELAU-LJQANCHMSA-N 432.427 4.153 5 20 IIBD C[C@@H](c1nc(O)c2ccccc2n1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 792896389 GMOUILQVLCLBKR-NSHDSACASA-N 429.274 4.125 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)NCCC2=CCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] 792974739 OXOOMYWDCPLMRA-MRXNPFEDSA-N 432.521 4.221 5 20 IIBD Cc1sc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)nc1-c1ccc2c(c1)CCC(=O)N2 794744546 XWBIVCPVJYKEKZ-UHFFFAOYSA-N 444.419 4.442 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N(C[C@@H](O)c2ccccc2)c2ccccc2)ccc1Cl 795519055 QCTZSKPHVQLQJX-HXUWFJFHSA-N 432.885 4.177 5 20 IIBD O=C(C[C@H]1CCCOC1)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 795912304 KHZHXJSEHMFUGH-JLTOFOAXSA-N 432.860 4.288 5 20 IIBD O=C(NC[C@H]1CCCN1C1CCCCC1)c1cc(F)cc([N+](=O)[O-])c1Br 798073578 LYEKFMIOWSWWEH-CQSZACIVSA-N 428.302 4.023 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1Br 798121753 GTXAVGITIMIRIS-QWHCGFSZSA-N 440.091 4.406 5 20 IIBD CC(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1Br 800930313 JXCMSAHFCHMHJN-UHFFFAOYSA-N 433.667 4.014 5 20 IIBD C[C@@H](OC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(S[C@@H]2CCCCNC2=O)cc1 809049469 WYEZLXUIUDZPDR-BFUOFWGJSA-N 432.473 4.413 5 20 IIBD CC[C@H](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccccc1OCC(=O)NC 809970619 GRQGYFUQTAPLRN-INIZCTEOSA-N 426.300 4.267 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC=C(c2ccc(Cl)cc2)CC1 812104915 AEHHTKIISJBIQX-UHFFFAOYSA-N 439.903 4.447 5 20 IIBD CCOc1ccc([C@H](O)C2CCN(c3ccc(C(=O)NC(C)C)cc3[N+](=O)[O-])CC2)cc1 812481460 MJVKTHUQZXCEAB-QHCPKHFHSA-N 441.528 4.082 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 813804823 ZRHMEARWTFMVLT-IBGZPJMESA-N 446.548 4.304 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])C[C@H]21 814123732 VWEACMOALCPVLC-JFIYKMOQSA-N 431.533 4.024 5 20 IIBD C[C@H](Nc1cccc(NS(=O)(=O)Cc2ccccc2)c1)c1ccc(N)c([N+](=O)[O-])c1 815628486 BGTKGCHFMWNLDG-HNNXBMFYSA-N 426.498 4.292 5 20 IIBD O=C1/C(=C/Nc2ncc([N+](=O)[O-])s2)c2ccccc2C(=O)N1c1ccccc1Cl 912745048 RRILYRMVBBWFTL-UKTHLTGXSA-N 426.841 4.345 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)/C=C/c3ccccc3)cc2)cc1[N+](=O)[O-] 913461810 TZVSIKDMRCGUGR-RIYZIHGNSA-N 437.477 4.356 5 20 IIBD C[C@H](OC(=O)CCOc1ccc2ccccc2c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 914913194 VEHGBNDBXQCFJD-AWEZNQCLSA-N 426.400 4.226 5 20 IIBD CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)NC(=S)N1 916191583 LKRLPFQJDMLMJX-IBGZPJMESA-N 445.472 4.271 5 20 IIBD Cc1c(C(=O)O[C@@H](C)C(=O)c2ccc(Br)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 919225449 GMJRZLZBTXTXOL-JTQLQIEISA-N 437.202 4.002 5 20 IIBD C[C@@H](OC(=O)c1sccc1Br)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 919343427 DBFBCOFMVKZYKM-SSDOTTSWSA-N 433.667 4.256 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)[C@H](C)Sc2ccccc2Cl)c([N+](=O)[O-])c1 919506809 MIMHBNNGZPFTAJ-RYUDHWBXSA-N 438.889 4.308 5 20 IIBD Cc1ccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c(OC[C@@H]2CCCO2)c1 920009314 HIPSFLNXVMAQCQ-AWEZNQCLSA-N 435.274 4.476 5 20 IIBD O=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 920090068 LBSYQJXGUIRRPH-UHFFFAOYSA-N 443.463 4.023 5 20 IIBD Cc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c2c1[C@H](C)CC2=O 1319558053 MGVMTMCXOQTCEL-SNVBAGLBSA-N 440.271 4.123 5 20 IIBD O=[N+]([O-])c1c(Cl)cccc1-c1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1 1322730131 FNIYIACILAMCNS-UHFFFAOYSA-N 448.888 4.140 5 20 IIBD COc1cc(-c2nnc(COc3ccc(Cl)cc3)o2)c([N+](=O)[O-])cc1OC(F)F 1328152935 UWNHKLWYTYTYLG-UHFFFAOYSA-N 427.747 4.487 5 20 IIBD O=C(c1cnoc1C1CC1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 1334421137 UUSLCLZEVSJOQK-UHFFFAOYSA-N 438.509 4.147 5 20 IIBD Cc1csc(Sc2ccc(C(=O)OCc3ccc4nn[nH]c4c3)cc2[N+](=O)[O-])n1 1343428019 BVIKDDFGLZZEAF-UHFFFAOYSA-N 427.467 4.139 5 20 IIBD CC[C@@H](C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1)N(CC)CC 1785748797 RUJOMEUEERZUDG-SFHVURJKSA-N 442.516 4.056 5 20 IIBD Cc1cncc(C(=O)Nc2ccc(C3(NC(=O)c4cc(F)cc([N+](=O)[O-])c4)CCC3)cc2)c1 1787432527 JPLBEAKCPXVGKJ-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD Cc1ccc([C@@H](C)C(=O)Nc2ccc(C3(NC(=O)c4n[nH]cc4[N+](=O)[O-])CCC3)cc2)cc1 1791344876 CWIYMPLJIZVOMW-MRXNPFEDSA-N 447.495 4.178 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)s1)c1cc(F)cc([N+](=O)[O-])c1 1795042560 FQKUYNXHGRBOOE-BTTYYORXSA-N 437.880 4.014 5 20 IIBD Cc1c(NC(=O)[C@H](C)Sc2nc3cc4ccccc4cc3c(=O)n2C)cccc1[N+](=O)[O-] 26580821 CSLMCDUCMRKRAU-AWEZNQCLSA-N 448.504 4.423 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)Cn1nc(-c2cccnc2)n(C2CC2)c1=S 27533511 MTIJTQPXYBMKCP-UHFFFAOYSA-N 430.921 4.462 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCc2nc(C)cs2)cc1[N+](=O)[O-] 29885751 BIXWSZOZULSGCZ-UHFFFAOYSA-N 427.507 4.243 5 20 IIBD O=C(Nc1ccccc1OCCn1ccnc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 64934749 DHJNGOCSXVRQLP-UHFFFAOYSA-N 435.465 4.246 5 20 IIBD Cc1ccc(NC(=O)c2nn(-c3ccccc3C(F)(F)F)c(C)cc2=O)cc1[N+](=O)[O-] 71802209 GQRPMQFPLFBDIF-UHFFFAOYSA-N 432.358 4.029 5 20 IIBD C[C@@H](Nc1ccc(CCN2CCSCC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 109477551 WWNNMWOBUCJNKE-OAHLLOKOSA-N 448.976 4.279 5 20 IIBD Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 110361883 CLFSYJSYBSIPLQ-MRXNPFEDSA-N 426.904 4.154 5 20 IIBD CN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])Cc1cc(Br)ccc1F 116121008 SPEZEOAIXIRLLR-UHFFFAOYSA-N 430.661 4.220 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNCc3nnc4n3CCCCC4)o2)c(Br)c1 236569417 VRJAFVTYLGPIQD-UHFFFAOYSA-N 446.305 4.225 5 20 IIBD CN(CC(=O)Nc1ccccc1Br)c1ccc(Br)cc1[N+](=O)[O-] 301071257 UNAVNHFWHFOGDK-UHFFFAOYSA-N 443.095 4.195 5 20 IIBD O=C(Nc1ccc(CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)cc1)c1cccnc1 301132352 TUPJQQZNQUXNMS-UHFFFAOYSA-N 445.479 4.090 5 20 IIBD O=[N+]([O-])c1cc2c(O)ncnc2cc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 301807900 YJHDAGPTCGYWFT-VIFPVBQESA-N 425.392 4.103 5 20 IIBD C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Cl)cc1Cl 303464734 MJHSRWOABZGTPS-QMTHXVAHSA-N 442.324 4.445 5 20 IIBD Cc1ccc(NCCCNC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)c([N+](=O)[O-])c1 303908001 WQOPNXCIHWWSMD-UHFFFAOYSA-N 425.464 4.077 5 20 IIBD O=C(N[C@@H]1c2ccccc2CC12CCOCC2)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 427418773 AZRPSCCQQWYZSF-HSZRJFAPSA-N 429.476 4.481 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N1CCn2cncc2C1 427502814 VMXVESALQBMZHO-GZTJUZNOSA-N 445.504 4.374 5 20 IIBD Cc1noc(C[C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c2ccccc2)n1 429506607 AZUXKFMOUJSPTO-KRWDZBQOSA-N 435.465 4.124 5 20 IIBD Cc1cc(NC(=O)CCc2cccc([N+](=O)[O-])c2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 435286240 CGQPADCFMDPKAG-JOCHJYFZSA-N 433.512 4.118 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCN(Cc2ccc(Cl)cc2)CC1 435836355 PNQNLQKGUAPPRS-UHFFFAOYSA-N 449.913 4.432 5 20 IIBD Cc1ccc([C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H](C)S(C)(=O)=O)cc1 437353717 QUMFKMVHSPZZIQ-MGPUTAFESA-N 445.566 4.291 5 20 IIBD CC[C@@H]1Oc2cc([C@@H](C)NC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)ccc2NC1=O 437989482 CXAVXSOCBYXDBU-VLIAUNLRSA-N 438.484 4.140 5 20 IIBD CC(C)c1ccc(C(=O)NCc2cccc(NC(=O)NCc3ccncc3)c2)cc1[N+](=O)[O-] 438974772 DTXWPLSZRBZHNI-UHFFFAOYSA-N 447.495 4.365 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C 439866169 BJVUWANSTJTLAR-SFHVURJKSA-N 429.864 4.292 5 20 IIBD COc1ccccc1COc1cccc(NC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1C 441869108 HGXUCLDTOCGQCF-UHFFFAOYSA-N 449.463 4.376 5 20 IIBD CCOC(=O)c1ccnc(Oc2cccc(CNC(=O)Nc3ccccc3)c2)c1[N+](=O)[O-] 443961344 KZFKXTZXOSMKEN-UHFFFAOYSA-N 436.424 4.281 5 20 IIBD O=C(NCCOc1ncccc1C(F)(F)F)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444253459 PSUKFEBFDLQFAS-UHFFFAOYSA-N 445.372 4.043 5 20 IIBD COc1ccc(CNC(=O)c2sc(Br)cc2[N+](=O)[O-])c(C(F)(F)F)c1 445182868 CZSIIVOQWSXQMD-UHFFFAOYSA-N 439.209 4.376 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCc1nc(-c2ccc(Oc3ccc(F)c(F)c3)cc2)no1 445254919 BDKYFPOVOVFNPF-UHFFFAOYSA-N 427.367 4.463 5 20 IIBD Cc1c(Br)cc(-c2nc(CC(=O)N(C)C3CCCCC3)no2)cc1[N+](=O)[O-] 445541277 QLQQSDLAPGUUAD-UHFFFAOYSA-N 437.294 4.049 5 20 IIBD COc1ccc(-c2ccc(-c3nc(-c4c([N+](=O)[O-])nc(C)n4C)no3)c(F)c2)c(F)c1 445620994 QXRAKSJIKRWDKE-UHFFFAOYSA-N 427.367 4.308 5 20 IIBD CCOCCOc1cc(C)ccc1CNC(=O)c1ccc([N+](=O)[O-])cc1Br 445930989 XRANKSZMSWTMNE-UHFFFAOYSA-N 437.290 4.011 5 20 IIBD O=C(NCc1cnn(-c2ccc(Br)cc2)c1)c1c(Cl)cccc1[N+](=O)[O-] 447056297 ADYITMAIQZBGKH-UHFFFAOYSA-N 435.665 4.126 5 20 IIBD COc1ccc(Cl)cc1C1(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCOCC1 447532130 SJBQMIPOAVKROF-OALUTQOASA-N 448.951 4.275 5 20 IIBD O=C(Cc1noc(/C=C/c2ccc(F)cc2[N+](=O)[O-])n1)Nc1cccc(C(F)(F)F)c1 460151771 QWOKMOAICUKQQW-FNORWQNLSA-N 436.321 4.487 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc([C@H]2CCOC2)n1CCc1ccccc1 460414886 YMDPOQZWEQSMSD-NRFANRHFSA-N 435.528 4.348 5 20 IIBD CCOCCCn1c(-c2ccc(C)s2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 460720986 VQNVMWJVJAERHZ-UHFFFAOYSA-N 427.530 4.213 5 20 IIBD COc1cc(Br)ccc1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464641498 YPSXEFDUXPMCNZ-UHFFFAOYSA-N 435.274 4.050 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)NCc1nc2c(s1)C[C@H](c1ccccc1)CC2 466256948 UEVADSIUIGQQCP-OAHLLOKOSA-N 425.485 4.322 5 20 IIBD C[C@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1cccc(-n2cccn2)c1 466672380 XLZMQKLKXPCKKK-KRWDZBQOSA-N 435.484 4.095 5 20 IIBD C[C@@H](NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1)c1cccc([N+](=O)[O-])c1 467831200 HGLJWUBCIRGJTR-GOSISDBHSA-N 435.503 4.306 5 20 IIBD C[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1ccc([N+](=O)[O-])cc1F 468060911 JIUPZZKQQNRENG-OPAMFIHVSA-N 435.455 4.204 5 20 IIBD COc1cccc(NC(=O)COc2ccc(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)cc2)c1 470710954 VGZPKSBPDHGHHQ-UHFFFAOYSA-N 439.399 4.012 5 20 IIBD CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)CCc1cccc([N+](=O)[O-])c1 474415972 RPROYYQNMPZXKU-UHFFFAOYSA-N 427.501 4.180 5 20 IIBD CCOc1cc(N2CCN(C(=O)C[C@H](C)c3c[nH]c4ccccc34)CC2)ccc1[N+](=O)[O-] 477380060 NMABZGLGPJZPJN-KRWDZBQOSA-N 436.512 4.317 5 20 IIBD CCOc1cc(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)c([N+](=O)[O-])cc1OC 477986496 OGLFSJQWELRAEX-MWLCHTKSSA-N 441.303 4.112 5 20 IIBD CC(=O)N[C@@H](C)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 478684335 JZYJGKDCMMCHRB-HNNXBMFYSA-N 427.526 4.123 5 20 IIBD COC(=O)Cc1cccc(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c1 478899179 NEGFFYNRBQBDNG-UHFFFAOYSA-N 443.506 4.479 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 479038085 CNBPENAJOWNHDP-FQEVSTJZSA-N 429.542 4.282 5 20 IIBD CC1(C)CN(c2c([N+](=O)[O-])cnc3ccc(Br)cc23)C[C@]2(CCCOC2)O1 481093041 SPPLFBMJWIVUPI-IBGZPJMESA-N 436.306 4.070 5 20 IIBD CCNc1ccc(C(=O)Nc2ccc(C)c(Oc3ccnc(C(=O)NC)c3)c2)cc1[N+](=O)[O-] 481867660 MNNTWFVBFHPLFK-UHFFFAOYSA-N 449.467 4.134 5 20 IIBD COC(=O)c1cc(OCC(=O)Nc2ccccc2Oc2ccc(C)cc2)ccc1[N+](=O)[O-] 481941433 ICJXLHCWALZJEC-UHFFFAOYSA-N 436.420 4.500 5 20 IIBD CCOC(=O)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C1 481951277 HWZSABDLZISZPP-MRXNPFEDSA-N 445.903 4.276 5 20 IIBD C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C[C@@]2(CCCOC2)O1 482956505 FFCTZQXIADYFQJ-KSFYIVLOSA-N 428.510 4.156 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 485847010 QONDMOLVLNUZDX-ROUUACIJSA-N 449.617 4.304 5 20 IIBD CCCN(CC)C(=O)c1ccc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 486742255 YRCHHXDSTMSFDT-UHFFFAOYSA-N 437.418 4.416 5 20 IIBD CCOC(=O)c1ccnc(N2CCCC[C@H]2CCc2ccc(OC)c(OC)c2)c1[N+](=O)[O-] 487642083 YVHZNSDULSDJFU-KRWDZBQOSA-N 443.500 4.175 5 20 IIBD CCOc1c(Cl)cc(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1Cl 488638016 DGOGEBBQMYXFHT-UHFFFAOYSA-N 428.276 4.366 5 20 IIBD CCN(CC1CCN(c2ccccn2)CC1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 489287700 GUIDMTRTOXLHOY-INIZCTEOSA-N 445.951 4.209 5 20 IIBD COC(=O)c1c(Br)ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c1C 489642681 ZDMNASIMEXYTSV-UHFFFAOYSA-N 441.665 4.287 5 20 IIBD COc1c(F)cc(S(=O)(=O)N(Cc2ccco2)Cc2ccc(C)s2)cc1[N+](=O)[O-] 490722750 LHCPSQZCWMXZRM-UHFFFAOYSA-N 440.474 4.097 5 20 IIBD Cc1nc(CCNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)c(C)o1 497459808 KHFCHAKZJCRMRH-UHFFFAOYSA-N 428.876 4.438 5 20 IIBD CN1CCO[C@@H]([C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccc(Cl)cc2)C1 498487389 CBCIDGMTRBWSAJ-QZTJIDSGSA-N 439.299 4.095 5 20 IIBD COc1cc(C(=O)Nc2cc(C)nc(C(C)C)n2)c([N+](=O)[O-])cc1OCc1cscn1 499464913 WAKJRIAAGPFBBZ-UHFFFAOYSA-N 443.485 4.113 5 20 IIBD O=C(CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)N[C@@H]1CCOc2ccccc21 500540045 ZGNFKCLRUFHDCI-LJQANCHMSA-N 441.871 4.238 5 20 IIBD CC(C)c1cccnc1NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 502911057 ZBISKTJZWCKRGG-UHFFFAOYSA-N 440.481 4.166 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@H](Oc2ccccc2Cl)C1 503482516 MLVPSUJDAKMUFH-GFCCVEGCSA-N 425.666 4.304 5 20 IIBD CC1CCN(c2ccc(-c3nc(CC(=O)Nc4ccc(F)cc4)no3)cc2[N+](=O)[O-])CC1 504828863 QQZUDCBAWAFOSW-UHFFFAOYSA-N 439.447 4.201 5 20 IIBD CCOc1ccc([C@@H](C)N[C@@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)cc1[N+](=O)[O-] 504927113 MSYMUNNTLQDFNC-DLBZAZTESA-N 449.573 4.436 5 20 IIBD CN(CCC1CCCCC1)C(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 506211581 IAMIQRZIAMUWGJ-UHFFFAOYSA-N 445.541 4.438 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1c(F)cccc1Oc1ccccc1 506701810 GIZIEWLKKREFKO-UHFFFAOYSA-N 437.427 4.166 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCC1(c2ccc(F)cc2)CCOCC1 507903439 GAJHZAHEXSBMHR-UHFFFAOYSA-N 444.506 4.158 5 20 IIBD CCOc1ccc(NC(=O)COc2c([N+](=O)[O-])cnc3ccc(Br)cc23)cc1 508161598 KIFVMKZZCKPQFF-UHFFFAOYSA-N 446.257 4.322 5 20 IIBD CN(Cc1ccc(OCC(F)(F)F)cc1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 509112628 RPKBHDLOOXLJLG-UHFFFAOYSA-N 438.811 4.010 5 20 IIBD O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NCCc1ccc([N+](=O)[O-])cc1 509308918 AHQOTSTUHBWSLT-UHFFFAOYSA-N 431.901 4.185 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCC[C@H](CN3CCCC[C@H]3C)C2)cc1[N+](=O)[O-] 510475609 HXZMVNQMUJSOKV-GDBMZVCRSA-N 438.366 4.392 5 20 IIBD CCc1nn(-c2ccccc2)c(CC)c1CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 511930777 RUAOQWWNKFPEDG-UHFFFAOYSA-N 435.528 4.289 5 20 IIBD O=C(Nc1ccc(NC2CCOCC2)cc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 513059247 RSUNYDBTRRQYQC-UHFFFAOYSA-N 439.390 4.379 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(-c3ccc4c(c3)CCO4)n2)cc1C 518857599 MDUIITBPTIURFY-UHFFFAOYSA-N 425.466 4.009 5 20 IIBD C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 520569655 TZUBITHBVRGJHK-SNVBAGLBSA-N 448.266 4.049 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)NCc1cc(Br)ccc1OC(F)F 522430980 NFLOHTAVBPHSHP-UHFFFAOYSA-N 444.232 4.001 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCCc3csc(C(C)C)n3)cc2)c(C)c1[N+](=O)[O-] 522547276 YVGFNTADTQUBAZ-UHFFFAOYSA-N 427.530 4.009 5 20 IIBD CC[C@@H]1Oc2cc([C@H](C)N[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)ccc2NC1=O 524721788 ATJRRYNPCWKXMA-PZROIBLQSA-N 446.891 4.036 5 20 IIBD CN(Cc1cccc(O)c1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 532938013 ZJOMZPGTDUOXQP-UHFFFAOYSA-N 443.506 4.110 5 20 IIBD COc1ccc(NC(=O)CCSc2nnc(C)n2[C@@H]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 534607552 IIOCMZONWCIFJD-DZGCQCFKSA-N 433.534 4.375 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 534645879 ZUCPCIVUZQBEEK-MRXNPFEDSA-N 427.791 4.455 5 20 IIBD O=C(N[C@@H]1CCCN(c2ccccc2F)C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 536494332 YMZXUEGJIJRKAT-CYBMUJFWSA-N 441.381 4.074 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCC1CCN(c2ccncc2)CC1 536560229 PSOPWCAUSWSVJI-UHFFFAOYSA-N 428.558 4.481 5 20 IIBD COc1cccc(Cn2[nH]c(C)c3c(NC(=O)c4c(C)cc(C)c([N+](=O)[O-])c4C)nnc2-3)c1 539860600 LYZOZHZSVSIYHE-UHFFFAOYSA-N 448.483 4.162 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCC1CCN(c2ccncc2)CC1 540097664 DXTFYNYIUWTWAP-UHFFFAOYSA-N 428.558 4.384 5 20 IIBD COc1cc(OCC(=O)Nc2ccc(Oc3nncc4ccccc34)cc2)ccc1[N+](=O)[O-] 542173115 PLHDGPLJAKJTST-UHFFFAOYSA-N 446.419 4.356 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1 542373966 QLBHXPPCGZBKEL-WJOKGBTCSA-N 439.493 4.233 5 20 IIBD COC(=O)c1sc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])nc1C1CC1 543157743 XILBGEWODURCRS-UHFFFAOYSA-N 427.891 4.100 5 20 IIBD COc1ccc2c(c1)C[C@H](C)N(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H]2C 543789671 MIQYSEUVSSCBHG-STQMWFEESA-N 433.302 4.443 5 20 IIBD C[C@H](CNC(=O)c1ccccc1)c1noc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 545760068 MZUGEXJNMOTSLJ-CYBMUJFWSA-N 435.465 4.302 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 545958735 RETYGSUXEFUEPK-UHFFFAOYSA-N 434.861 4.428 5 20 IIBD Cc1cc(SC2CCCCC2)ccc1NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 549755504 QBNXDKKBBLOUGH-UHFFFAOYSA-N 449.554 4.228 5 20 IIBD CN(C(=O)c1ccc(C(=O)N(C)C(C2CC2)C2CC2)c([N+](=O)[O-])c1)C(C1CC1)C1CC1 551507956 RHPLDJALEPDVCS-UHFFFAOYSA-N 425.529 4.116 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)CCC(=O)N3CC(F)(F)F)c1 554963241 OGVCKUKWNUUJOL-UHFFFAOYSA-N 437.374 4.087 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCO[C@H](c4ccccc4)C3)n2C[C@@H]2CCCCO2)c1 559217038 ZOMPTZZBNJFXRF-VXKWHMMOSA-N 449.511 4.000 5 20 IIBD COc1ccccc1-c1noc(C2CCN(c3ncnc4sc([N+](=O)[O-])cc34)CC2)n1 561340453 ITLRSGYOHNFNTM-UHFFFAOYSA-N 438.469 4.042 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccnc(Oc2ccccc2Br)c1 561837360 SDEYOPXVGYHMKQ-UHFFFAOYSA-N 446.261 4.078 5 20 IIBD CCC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C 576295170 CBEPULWCSDVFKI-OCCSQVGLSA-N 426.311 4.079 5 20 IIBD CCOC(=O)c1cc(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])ccc1Cl 604030718 VCODIZAULSKTNW-UHFFFAOYSA-N 444.774 4.287 5 20 IIBD CSc1ccc(C(=O)Nc2cc(-c3cccc(Cl)c3)nn2CCO)cc1[N+](=O)[O-] 608944059 JZBDLLQQWJCQFR-UHFFFAOYSA-N 432.889 4.078 5 20 IIBD Cc1ccc(NC(=O)c2ccc(Nc3ccc4c(c3)n(C)c(=O)n4C)c([N+](=O)[O-])c2)cc1 608974089 XTBGBTMDIONWQL-UHFFFAOYSA-N 431.452 4.090 5 20 IIBD CC(C)(C)[C@H]1CCCN1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 609178843 OOEWKAWINRPZGC-LJQANCHMSA-N 431.514 4.046 5 20 IIBD CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 609417882 BJHWLWVLMLVELO-UHFFFAOYSA-N 439.740 4.283 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1 609428683 SMVASIOTYTVRAR-ZDUSSCGKSA-N 441.875 4.249 5 20 IIBD O=C(N[C@H]1CCc2c(O)cccc21)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 609875833 FZTSFHGUQIICCJ-HNNXBMFYSA-N 433.251 4.210 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F 612616494 FRDMVZHISSBVPG-HXUWFJFHSA-N 439.447 4.142 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@H]3C[C@H]4CC[C@H]3C4)cc2)cc1[N+](=O)[O-] 619827625 WWWWXYGSAAJZIO-DOXZYTNZSA-N 429.498 4.079 5 20 IIBD O=C(NCc1nc2ccc(Cl)cc2[nH]1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 682000416 AMVHPGUZUMEXKZ-UHFFFAOYSA-N 438.821 4.419 5 20 IIBD CC(C)(C)c1ccc([C@@H](O)CCC(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 726873627 XITRDYSBHBYIPU-IBGZPJMESA-N 432.448 4.027 5 20 IIBD CC1CCN(c2ccc(C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cn2)CC1 727204712 QXCPEJCGOYQVIQ-CQSZACIVSA-N 446.891 4.064 5 20 IIBD O=[N+]([O-])c1ccc(-c2ncn(CN3CCCc4cc(Br)cc(F)c43)n2)cc1 728710311 USGVUEHSFWSGTR-UHFFFAOYSA-N 432.253 4.165 5 20 IIBD O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1csc(Cc2ccccc2)n1 729193366 PZBYWRFOYHYJFI-UHFFFAOYSA-N 438.509 4.111 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(CN(C)C(=O)OC(C)(C)C)c1 732525613 PAVZRIMNFLYSNR-UHFFFAOYSA-N 435.502 4.071 5 20 IIBD COc1ccc(OC(F)F)c(COC(=O)c2cc([N+](=O)[O-])ccc2Br)c1 734326880 NWWPOBAJPJEZKF-UHFFFAOYSA-N 432.173 4.324 5 20 IIBD O=C(COC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1ccc2c(c1)Cc1ccccc1-2 735353241 XZDYVOGHBVAJAM-UHFFFAOYSA-N 440.411 4.460 5 20 IIBD CCCN(CC)C(=O)c1ccc(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 735443397 QLSKBMGORXYDQR-UHFFFAOYSA-N 437.452 4.479 5 20 IIBD O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccccc1SC[C@@H](O)c1ccccc1 736538571 XNRQOTRKCAJPBZ-GOSISDBHSA-N 430.507 4.221 5 20 IIBD C[C@H](Nc1ccc(C(=O)OC[C@@H]2Cc3cc(F)ccc3O2)cc1[N+](=O)[O-])c1ccccn1 740587657 DLVREHYJDJHIMI-KSSFIOAISA-N 437.427 4.463 5 20 IIBD COc1cc(C2(C(=O)O[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CCCC2)ccc1C 744989214 XGRYNJBCXCCBND-INIZCTEOSA-N 426.469 4.294 5 20 IIBD O=C(COC(=O)c1cc(C2CC2)nc2ccc(F)cc12)Nc1ccc(F)c([N+](=O)[O-])c1 745592765 CHCVNQRCQWXMAR-UHFFFAOYSA-N 427.363 4.094 5 20 IIBD Cc1c(C(=O)NC2(c3ccc(Br)cc3)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748622655 GPYZXEAKMSCQTI-UHFFFAOYSA-N 434.246 4.301 5 20 IIBD COc1cc([N+](=O)[O-])ccc1OCC(=O)c1cc(C)n(Cc2ccc3c(c2)OCO3)c1C 750959957 NJBIZAJLPZKONZ-UHFFFAOYSA-N 438.436 4.060 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 752114838 OCVUXYPUIZVZDQ-AUSIDOKSSA-N 434.496 4.289 5 20 IIBD Cc1nc(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])oc1-c1ccc(Cl)cc1 756765103 BACDSJXETDEYQN-UHFFFAOYSA-N 442.280 4.344 5 20 IIBD C[C@H]1C[C@H](CCNC(=O)c2cccc([N+](=O)[O-])c2Br)CN1Cc1ccccc1 758860544 DHLKRAJNQOQKBV-RDJZCZTQSA-N 446.345 4.388 5 20 IIBD Cc1ccc(C(=O)CC(C)(C)CC(=O)O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 759832136 RHYAZOMPGVISGS-MRXNPFEDSA-N 426.469 4.463 5 20 IIBD O=C(O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 759932770 NNZFGYAYDMBYJB-HOTGVXAUSA-N 443.441 4.164 5 20 IIBD O=C(NCCCCC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)OCc1ccccc1 760565032 YAAVKKYGTLJXCX-OAQYLSRUSA-N 443.525 4.266 5 20 IIBD CCCc1c(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cnn1-c1cc(C)ccn1 760965305 KIQACHJXUPNBCY-UHFFFAOYSA-N 428.880 4.412 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(-c3cc(Cl)ccc3O[C@H]3CCOC3)no2)cc([N+](=O)[O-])c1 762302867 JJSYZGDXAJRVBA-AWEZNQCLSA-N 432.776 4.041 5 20 IIBD COc1cc(-c2noc(COC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)n2)ccc1OC(F)F 763405970 NNONYYHDBOMNKR-LLVKDONJSA-N 449.366 4.102 5 20 IIBD O=C(COC(=O)CSc1nccc2ccccc12)Nc1ccc([N+](=O)[O-])cc1Cl 767411107 BEJZYTICKKTPHF-UHFFFAOYSA-N 431.857 4.070 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCCCc2cc(Br)ccc21 770720060 TXQRWEIWTCWCTB-UHFFFAOYSA-N 429.267 4.028 5 20 IIBD CCN(CCC1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)CC1)CC1CC1 771414643 RTJVLKBASODXQE-UHFFFAOYSA-N 432.521 4.094 5 20 IIBD C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[C@@H]1NC(=O)OC(C)(C)C 771768051 ZKTOFGYSWGDZRJ-FZMZJTMJSA-N 446.426 4.381 5 20 IIBD CC(=O)c1cc(Br)ccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 772102120 YGOFEQXMEFCUNC-UHFFFAOYSA-N 427.638 4.231 5 20 IIBD O=[N+]([O-])c1ccc(OC(F)F)c(NS(=O)(=O)c2ccc3nc(Cl)sc3c2)c1 772857683 JTTWWTDPVCUTTE-UHFFFAOYSA-N 435.817 4.260 5 20 IIBD C[C@@H](NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H](OC1CCOCC1)c1ccccc1 773084195 QIJSRQHJIOIPFY-CLOONOSVSA-N 439.556 4.479 5 20 IIBD CC(C)(C)OC(=O)N1CCc2ncc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)cc2C1 773407305 WOAZRPYSIYRTPP-UHFFFAOYSA-N 449.467 4.084 5 20 IIBD CC(=O)Nc1ccc(Cl)c(C(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)c1 773448001 DMXPGMZWKRZZTP-UHFFFAOYSA-N 427.638 4.326 5 20 IIBD O=C(OCCCc1nc(-c2ccccc2)no1)c1sc(Br)cc1[N+](=O)[O-] 773603746 QGXYTZRCXPDRCU-UHFFFAOYSA-N 438.259 4.258 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)c1ccc(OC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)cc1 774493814 APJMUJUVLYOKDD-GFCCVEGCSA-N 426.429 4.276 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[C@H](C)C[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1C 775761854 XHJBZRRCLQCTRK-KDUIPTSRSA-N 440.456 4.359 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CC[C@](O)(c4ccc(F)cc4)C3)c([N+](=O)[O-])c2)cc1 776814823 JIXNUNWNDQABAP-XMMPIXPASA-N 435.455 4.393 5 20 IIBD CC[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1cc(F)cc(Br)c1 777012839 QXNUYPNXBBEHIR-HNNXBMFYSA-N 429.217 4.282 5 20 IIBD C[C@@H](CC(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)c1ccc(Cl)cc1 777215636 KICXZQOMIZTMPQ-LBPRGKRZSA-N 429.816 4.251 5 20 IIBD COCCOc1ccc(C(F)(F)F)cc1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 777876944 FEWHBIIAMUMIRB-UHFFFAOYSA-N 434.317 4.369 5 20 IIBD CC(C)(C)OC(=O)N1CC=C(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 778197728 MBZLCAYZSOIJBI-UHFFFAOYSA-N 430.530 4.375 5 20 IIBD O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 780758280 NGPKAWVMHQITSY-FQEVSTJZSA-N 427.287 4.452 5 20 IIBD C[C@H](OC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C(=O)N[C@@H]1CCCC[C@H]1C 781260269 QYOMHDBZFVGCSP-QHRIQVFBSA-N 442.462 4.200 5 20 IIBD O=C(/C=C/SCc1ccco1)Oc1cc([N+](=O)[O-])ccc1I 781744812 JNPNIUCUJLSTSG-FNORWQNLSA-N 431.207 4.145 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 781936788 GKFCVMWBABWHKV-QHCPKHFHSA-N 445.435 4.218 5 20 IIBD O=C(CCN1CCCC[C@@H]1c1nc(-c2ccccc2)no1)Nc1cc([N+](=O)[O-])ccc1F 782488133 YCMZDRAUWAKRSM-LJQANCHMSA-N 439.447 4.340 5 20 IIBD C[C@H]1CSc2ccccc2N1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 784040995 VSDHJYBNNANFLQ-JTQLQIEISA-N 429.317 4.047 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1ccc(=O)n(Cc2ccccc2)c1 785694544 QKLCKNGOLWFBGT-UHFFFAOYSA-N 446.385 4.145 5 20 IIBD CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 786357490 BHWQYODDGCRPKG-IFIJOSMWSA-N 446.422 4.469 5 20 IIBD C[C@H](NCc1ccc(Cl)cc1I)c1ccc(N)c([N+](=O)[O-])c1 788777599 TWPRIKBAPVZPGZ-VIFPVBQESA-N 431.661 4.286 5 20 IIBD C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1 790608375 GKQSFLINSCXACN-CGLGTAJGSA-N 434.496 4.013 5 20 IIBD O=C([C@H]1C[C@H]1c1c(F)cccc1F)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791174480 LXQLCBSGOFNCSD-NEPJUHHUSA-N 437.240 4.324 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc([N+](=O)[O-])c1C 791692020 JRRABKIXFKNXCN-SNVBAGLBSA-N 427.240 4.403 5 20 IIBD Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c1C 792594106 NAGMMNPZJGWROP-IBGZPJMESA-N 439.859 4.182 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F 795094969 FLFYZLOGKSJTEC-AWEZNQCLSA-N 430.404 4.148 5 20 IIBD C[C@@H]1CN(c2ccc(NC(=O)COc3cc(F)c([N+](=O)[O-])cc3Cl)cc2)C[C@@H](C)O1 795247213 DYQCWZVWNPASLG-CHWSQXEVSA-N 437.855 4.018 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)C[C@H]2CCCC[C@@H]2O)c2ccccc2)c([N+](=O)[O-])c1 796143316 RNOFKMJJBNKFTK-PIPMEXSNSA-N 426.469 4.067 5 20 IIBD O=C(c1cc(S(=O)(=O)C2CCCC2)ccc1F)N1CCCc2c1cccc2[N+](=O)[O-] 797468121 CEJXUABHIHMVJE-UHFFFAOYSA-N 432.473 4.043 5 20 IIBD Cc1cc(OCC(=O)OCc2nnc(-c3ccc(Cl)cc3Cl)o2)ccc1[N+](=O)[O-] 797495720 NSINFEGEBINWKF-UHFFFAOYSA-N 438.223 4.382 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1Br 798445033 BETZSXNLOXOECR-UHFFFAOYSA-N 427.059 4.432 5 20 IIBD CC1(C)CN(Cc2ccccc2)CC[C@@H]1NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 801584120 AZIOIRYQBUQRIF-FQEVSTJZSA-N 430.936 4.077 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N(Cc1ccccc1)C[C@H](O)c1ccccc1 804407598 XBWDJMUZWAAQLQ-DEOSSOPVSA-N 429.476 4.381 5 20 IIBD CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 806403181 WWEOGABDBVUVNE-CYBMUJFWSA-N 432.399 4.135 5 20 IIBD CC(C)(C)Sc1ccc(-c2noc(-c3cccc([N+](=O)[O-])c3N3CCOCC3)n2)cn1 809441158 YJLXDUNWDKCLTA-UHFFFAOYSA-N 441.513 4.434 5 20 IIBD CCCCC1CCC(NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 810356502 LZZDRJATLNYPLU-UHFFFAOYSA-N 426.311 4.161 5 20 IIBD CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[C@@H]1NC(=O)OC(C)(C)C 815875597 BZWOZWFGIRSNBY-WBMJQRKESA-N 445.438 4.379 5 20 IIBD C[C@@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)Nc1ccc2c(c1)OCCCO2 827006352 PEGBGQLBCMYSLL-LLVKDONJSA-N 431.495 4.485 5 20 IIBD C[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 841979677 RFGLTRIQXLSFKE-TWFHAPMSSA-N 434.536 4.027 5 20 IIBD O=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 916071429 YSHDUYACSOSMTK-UHFFFAOYSA-N 439.475 4.167 5 20 IIBD O=C(OCC(=O)c1cc(Br)sc1Br)c1ccccc1[N+](=O)[O-] 917218972 XCFOCHXOUQEJPM-UHFFFAOYSA-N 449.076 4.221 5 20 IIBD O=C(OCc1cn2cc(Cl)ccc2n1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 917257834 HBTQCAXSSAURAE-UHFFFAOYSA-N 429.738 4.194 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Oc1ccc(Cl)cc1Br 920314127 IUHZIJIQTIHBPH-UHFFFAOYSA-N 427.059 4.432 5 20 IIBD COc1ccccc1-c1nnc(COC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)o1 1252344695 UERWPYKQRSWUNU-UHFFFAOYSA-N 438.421 4.134 5 20 IIBD COc1cc(CSCc2nnc(C3CC3)n2C2CC2)c([N+](=O)[O-])cc1OC(F)F 1254477888 VJGASEPAXRVWJP-UHFFFAOYSA-N 426.445 4.442 5 20 IIBD O=C(c1cc(Br)ccc1Br)N1Cc2ccc([N+](=O)[O-])cc2C1 1320732408 XVZMVDIXJIRJCB-UHFFFAOYSA-N 426.064 4.276 5 20 IIBD O=C1Nc2ccccc2[C@H]1C1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 1332545477 NPSCQBYSQSEGAQ-LJQANCHMSA-N 430.302 4.305 5 20 IIBD C[C@@H]1C[C@]1(C)C(=O)NC1(c2ccc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCC4)cc2)CCC1 1790044996 AKQHPQHFGHLJKM-MYYSRTQBSA-N 449.507 4.324 5 20 IIBD CC(C)c1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])o4)CCC3)cc2)n[nH]1 1790127361 YUQUHRIZFGXLLG-UHFFFAOYSA-N 437.456 4.096 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3F)CCC2)cc1)c1cc(F)c[nH]1 1791473767 AUUNEISUIMPFEU-UHFFFAOYSA-N 440.406 4.263 5 20 IIBD Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cc(O)cc([N+](=O)[O-])c4)CCC3)cc2)o1 1791947981 MRXIYQUVVWXKTQ-UHFFFAOYSA-N 449.463 4.192 5 20 IIBD C[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc([N+](=O)[O-])o2)n[nH]1)c1cccs1 1814313766 XRPZZEOBCIGRCI-TZMCWYRMSA-N 443.485 4.082 5 20 IIBD Cc1scc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)[nH]n2)c1C 1816611955 HZXNHHFSNYKQAH-HNNXBMFYSA-N 443.485 4.209 5 20 IIBD CCC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])cc3F)[nH]n2)CCC1 1818950501 UQMCVFWYIGEIFZ-GOSISDBHSA-N 443.479 4.343 5 20 IIBD C/C=C(\C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1C)CC2 1825060967 IFSVSMWHCPFSLJ-MQSIBISMSA-N 448.932 4.205 5 20 IIBD Cc1cc(F)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)c1 1830503428 DMACLWOSLMGMHK-LJQANCHMSA-N 443.475 4.182 5 20 IIBD O=C(c1cccs1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830615117 ROFWTDJHKAATFM-IBGZPJMESA-N 445.516 4.343 5 20 IIBD C/C=C(\C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CSc2ccccc2[N+](=O)[O-])CC1 1831777079 BTAWPCNZQWQHHK-XTAKQWGHSA-N 445.585 4.273 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC([C@H]2CCCCN2C(=O)CC2CCC2)CC1 1832835732 FMUPUNQKYUYQMV-OAQYLSRUSA-N 431.508 4.157 5 20 IIBD COC(=O)CCNC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 14387754 UIRYODJDUMBNJH-SAPNQHFASA-N 445.475 4.313 5 20 IIBD CCOC(=O)c1sc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)nc1-c1ccccc1 15613985 KODJUPNISNPJFL-UHFFFAOYSA-N 427.438 4.156 5 20 IIBD C[C@@H](OC(=O)c1ccc(Br)cc1F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 18612269 WDCLTDKMCVTLEH-MRVPVSSYSA-N 445.628 4.334 5 20 IIBD CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 18747407 LKGZZVGHELVFJA-VLIAUNLRSA-N 448.435 4.213 5 20 IIBD Cc1ccc(-c2cnc(CCC(=O)O[C@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)o2)cc1 21584820 CYPMFLUPDPBYOE-CQSZACIVSA-N 441.415 4.200 5 20 IIBD C[C@@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 22173150 UNBHJOGBAUSEFA-SECBINFHSA-N 448.555 4.263 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3F)c2)ccc1[N+](=O)[O-] 23988514 SKMFFPODAYFRSF-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD CN(C)[C@@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)Cc1ccccc1 27580552 FEOPWASCCYHWRN-JOCHJYFZSA-N 432.524 4.110 5 20 IIBD Cn1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2cccnc2)c(-c2ccc([N+](=O)[O-])cc2)n1 60791658 UTCVYVARMOFYEU-HSZRJFAPSA-N 440.463 4.157 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)Nc1cccc(OC(F)F)c1)c1ccccc1[N+](=O)[O-] 61166007 RJQHDPWEBMQHIN-INIZCTEOSA-N 437.399 4.401 5 20 IIBD CCN(Cc1cc(Br)ccc1F)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 106213928 RQIRAALAVABJAG-UHFFFAOYSA-N 447.264 4.344 5 20 IIBD O=C(Cc1csc(-c2cc(Br)cs2)n1)NCc1ccc([N+](=O)[O-])cc1 108372369 PZNCCMJITKPTHE-UHFFFAOYSA-N 438.328 4.401 5 20 IIBD COc1ccc([C@@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c2ccc(F)cc2)cc1 301074242 GKWJYVIKSPVKEF-NRFANRHFSA-N 430.457 4.348 5 20 IIBD Cc1c(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)nnn1-c1ccc(-c2ccccc2)cc1 303427203 ZWTASKIMHPNCIE-UHFFFAOYSA-N 425.448 4.354 5 20 IIBD O=C(CCSc1n[nH]c(COc2ccc(Cl)cc2)n1)Nc1ccccc1[N+](=O)[O-] 409864743 PJQZZAPPZHPFON-UHFFFAOYSA-N 433.877 4.066 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc2[nH]ccc12 425972879 DCAIYIIYBCHYHA-UHFFFAOYSA-N 447.397 4.480 5 20 IIBD O=C(CCc1ccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1)N1CCCC1 426120296 PMEHBJUHOMXJFI-UHFFFAOYSA-N 436.512 4.346 5 20 IIBD O=[N+]([O-])c1ccccc1CN(C1CC1)S(=O)(=O)c1cc(Cl)ccc1Br 429849658 HUIUILYMAXLMMF-UHFFFAOYSA-N 445.722 4.364 5 20 IIBD C[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1noc(-c2ccc(Cl)cc2)n1 431514751 TXWPZXJFYKUDBL-ZDUSSCGKSA-N 429.864 4.368 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)Nc1cc(C(F)(F)F)ccn1)c1ccccc1[N+](=O)[O-] 434229611 SUNABXIKKKYBQN-AWEZNQCLSA-N 440.378 4.213 5 20 IIBD C[C@@H]1CCCCN1CCCCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436111790 POSIAQMAILUPPK-OAHLLOKOSA-N 427.495 4.344 5 20 IIBD COc1cccc(-c2noc([C@H](C)NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)c1 437147732 OGLCXUDYNPGCRL-QWHCGFSZSA-N 428.470 4.011 5 20 IIBD C[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@@H](c2ccccc2)CO1 437716254 GTMWFWGREICSTJ-BDJLRTHQSA-N 431.297 4.052 5 20 IIBD CCCC(=O)Nc1cccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 437794993 FEVUPMVXVHOUGD-UHFFFAOYSA-N 426.473 4.409 5 20 IIBD COc1ccc(CNC(=O)Nc2cc(F)c(Br)cc2Cl)cc1[N+](=O)[O-] 439626524 RKFWJBFAEHIUBO-UHFFFAOYSA-N 432.633 4.480 5 20 IIBD Cc1ccc2c(c1)nc(CNC(=O)c1cc(F)cc3c(=O)c4cccc(F)c4[nH]c13)n2C 444333864 CSSKYRYTQGRFMS-UHFFFAOYSA-N 432.430 4.085 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cc(F)c(F)cc3Br)n2)c1 445579018 GXUSYNNCOMUCNI-UHFFFAOYSA-N 426.173 4.285 5 20 IIBD Cc1cc(C[C@@H](C)NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)n(-c2ccccc2)n1 448191576 UUPHVKBSBOECLM-GOSISDBHSA-N 447.539 4.053 5 20 IIBD C[C@@H](C1CC1)N(C(=O)c1cc(C(=O)N(C2CC2)[C@H](C)C2CC2)cc([N+](=O)[O-])c1)C1CC1 460671153 AOOMIIPPONQCRM-GASCZTMLSA-N 425.529 4.401 5 20 IIBD CO[C@]1(C)CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cccs2)CC1 461312360 WOXPGVNVOZTTKK-OAQYLSRUSA-N 427.530 4.359 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC4(CCC4)[C@H]3[C@@H]3CCCO3)cc2[N+](=O)[O-])C1 461320334 SFZBLEVFQAWFSN-DEVSCXNHSA-N 427.545 4.251 5 20 IIBD CC(C)COC[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccco1 462264604 YTDNZMQPGRMJGW-CYBMUJFWSA-N 437.301 4.187 5 20 IIBD C[C@H](NS(=O)(=O)c1ccc(OCC(F)F)c2ccccc12)c1cccc([N+](=O)[O-])c1 462541813 IBNIBTGJCGZDPS-ZDUSSCGKSA-N 436.436 4.431 5 20 IIBD O=C(Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1ccco1 463362081 PLPUUUQIOVHRGZ-UHFFFAOYSA-N 433.342 4.389 5 20 IIBD O=C(Nc1nnc(Cc2cccc(Cl)c2)s1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 464336510 AZJJPJCHONRRLW-UHFFFAOYSA-N 440.872 4.129 5 20 IIBD COc1cc(CNCc2nc3c(s2)C[C@H](c2ccccc2)CC3)c([N+](=O)[O-])cc1O 466451551 KJZKLJHZOOKLJS-OAHLLOKOSA-N 425.510 4.328 5 20 IIBD Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C 466535655 HGRSBADCFDZQMA-LJQANCHMSA-N 443.525 4.266 5 20 IIBD CN(C(=O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F)c1nc(-c2ccccc2[N+](=O)[O-])cs1 467990771 PTQMPJVKBSYNOP-KBXIAJHMSA-N 427.404 4.037 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])NCc1nc2c(s1)C[C@H](c1ccccc1)CC2 468200931 JEFKGUHLLMIRTP-GOSISDBHSA-N 436.537 4.366 5 20 IIBD Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 470605784 IEVBIWLQWNQHOH-UHFFFAOYSA-N 446.463 4.451 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@H](OC)c1ccc(Br)cc1 471097457 DLDHVCGYQPLTQV-XIKOKIGWSA-N 437.290 4.262 5 20 IIBD O=C(Nc1ccc(OCc2ccccn2)c(F)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 471563619 QJDMOFWMSMCXDJ-UHFFFAOYSA-N 433.399 4.146 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCCOc2ccc(Cl)cn2)cc1[N+](=O)[O-])c1ccccn1 472200647 ZEQQFUPRWXNUAV-AWEZNQCLSA-N 441.875 4.020 5 20 IIBD COc1c(C(=O)NC[C@@H](c2ccccc2)N2CCc3sccc3C2)cccc1[N+](=O)[O-] 474905881 BBIQEFAKJHCKHA-FQEVSTJZSA-N 437.521 4.194 5 20 IIBD CCOc1cc(C(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)c([N+](=O)[O-])cc1OC 475877706 CPOQEZXFWMARPM-LJQANCHMSA-N 438.839 4.008 5 20 IIBD CSc1cccc(C(=O)NCc2noc(-c3cccc(Br)c3)n2)c1[N+](=O)[O-] 477136125 LGTGAGSIYGFMHG-UHFFFAOYSA-N 449.286 4.059 5 20 IIBD CCOc1cc(N2CCN(C(=O)[C@H]3C[C@@H]3c3cccc(Cl)c3)CC2)ccc1[N+](=O)[O-] 477354232 NVOMCMNTWYAOAY-MOPGFXCFSA-N 429.904 4.099 5 20 IIBD CC(C)(C)c1ccc(SCC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1 478718355 BMHCVJIOEIWKST-UHFFFAOYSA-N 447.582 4.031 5 20 IIBD C[C@@H](NCCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 480136920 JYGXPKFFLULUFH-OAHLLOKOSA-N 442.541 4.229 5 20 IIBD COCCN(C(=O)C[C@H]1CCC[C@H](OC)C1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 483082223 AKSOSUYGLRNWMR-YJBOKZPZSA-N 433.530 4.293 5 20 IIBD COC(=O)[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(OC)c(O)c1 483660044 VFCAHFBSTMEYJR-FQEVSTJZSA-N 428.466 4.041 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)cc1[N+](=O)[O-] 484303131 DGRBSRMBKXKLJI-GOSISDBHSA-N 433.574 4.111 5 20 IIBD CC(=O)Nc1ccc(C)c2c1CCCN2C(=O)c1sc(Br)cc1[N+](=O)[O-] 486114944 CUAARWPGXRQXBO-UHFFFAOYSA-N 438.303 4.279 5 20 IIBD CSc1nnc(CCCNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)n1C1CCCC1 486140006 VRIFHRGKDXRLAM-UHFFFAOYSA-N 429.506 4.118 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCCCn2cnc3ccccc32)cc1[N+](=O)[O-])c1ccccn1 486470345 GSHMFEJVRXMHRR-KRWDZBQOSA-N 444.495 4.333 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c(I)c1 487617465 AJRTYKNCIVAELT-VIFPVBQESA-N 444.200 4.089 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(OCC(=O)N(C)C)c1 488124922 RISPUQHTFAJNTG-UHFFFAOYSA-N 431.514 4.062 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCOCC2)c2ccncc12 488448423 CKLODPCFSBQHLG-UHFFFAOYSA-N 438.509 4.344 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)cc1[N+](=O)[O-] 489939953 SRVXVIOAMBXJLT-LIRRHRJNSA-N 427.892 4.440 5 20 IIBD COc1ccc([C@@H](NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])c2ccc(C(F)(F)F)cc2)cc1 492005508 ZVDWEEHNZIWHAZ-INIZCTEOSA-N 434.374 4.173 5 20 IIBD O=C(CNc1ccccc1[N+](=O)[O-])N1CCc2nc(-c3ccccc3Cl)sc2C1 494009139 ZFINHIIMZFOQHL-UHFFFAOYSA-N 428.901 4.369 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N(CCc1ccccc1)Cc1ccncc1 497800283 JLMPYGBHHWHMLN-UHFFFAOYSA-N 427.407 4.476 5 20 IIBD CN(C(=O)Cc1ccc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1)c1ccccc1 498728637 FTZRJGHWWDKYQO-UHFFFAOYSA-N 442.475 4.394 5 20 IIBD COc1cccc([C@@H](C)NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)c1 498911020 NVDGIDHNDJIXTA-MRXNPFEDSA-N 447.491 4.391 5 20 IIBD CCOc1cccc2cc([C@@H](C)Nc3ccc(S(=O)(=O)N(C)C)cc3[N+](=O)[O-])oc12 501973215 MOGWDKPSIKHZLZ-CYBMUJFWSA-N 433.486 4.163 5 20 IIBD CC1CCN(C2CCC(NC(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)CC1 502809341 RJOUYDYPIHVXLR-UHFFFAOYSA-N 426.464 4.361 5 20 IIBD COc1ccc(C(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)C(C)C)cc1[N+](=O)[O-] 505231561 SKZAHNILVFMERP-UHFFFAOYSA-N 439.390 4.112 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)cc1[N+](=O)[O-] 509993923 JOVILXXNPLCIQX-QGZVFWFLSA-N 448.273 4.036 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)cc1OC 511298736 DJWXKXIOZZYQCL-UHFFFAOYSA-N 449.463 4.184 5 20 IIBD CC(C)Sc1ccc([C@@H](C)NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 517452480 ACDFWRSIUOCOCA-CYBMUJFWSA-N 435.933 4.356 5 20 IIBD CNS(=O)(=O)c1ccc(N[C@H](CCc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 517721957 XEDKUPXMGOQRCT-HXUWFJFHSA-N 425.510 4.289 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1CC[C@H](N2CCCCC2)C1 521695640 AWKPCURDEMVACT-UGKGYDQZSA-N 442.947 4.488 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)cc1C 522359490 AZHSOTSSAPPHQO-LJAQVGFWSA-N 444.534 4.320 5 20 IIBD C[C@@H]1CCCCN1C[C@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 522842988 XERDCWMVUKFGSV-HUUCEWRRSA-N 426.464 4.315 5 20 IIBD CCc1ccc(OCC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)c([N+](=O)[O-])c1 524533916 VVWOHIKMKJMLFA-QHCPKHFHSA-N 428.485 4.211 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 526080142 CGRGKYABSWEOMA-UHFFFAOYSA-N 434.374 4.128 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC(C(=O)c2ccc(C)cc2C)CC1 532764405 FGRZSGSEAFAMTR-QGZVFWFLSA-N 439.512 4.142 5 20 IIBD Cc1c(NC(=O)[C@H](C)N2CCO[C@@H](c3ccc(Br)cc3)C2)cccc1[N+](=O)[O-] 533247546 XWHQPQILKGEHSS-IFXJQAMLSA-N 448.317 4.066 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C)(c2ccccc2)CC1 534240363 FPKDAZRBTSHISK-UHFFFAOYSA-N 442.537 4.444 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl 536932123 SHXQBJRRQFBEGD-VOJFVSQTSA-N 441.709 4.446 5 20 IIBD CC[C@@H](CSc1ccccc1[N+](=O)[O-])Nc1cc(C(=O)N2CCOCC2)ccc1OC 539733611 MFVULUUOVTVZFR-KRWDZBQOSA-N 445.541 4.059 5 20 IIBD C[C@@H](C(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1)c1ccc([N+](=O)[O-])cc1F 544435833 PXCGPBWVGNTFLR-MRXNPFEDSA-N 442.491 4.291 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)[C@H](C)c1ccccc1C(F)(F)F 544461761 JZHQEAOOCUBPRB-QWHCGFSZSA-N 425.407 4.343 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2nc(C3CCCC3)c(C(=O)OC)s2)cc1OC 544474195 BSPSAFXKBFEMOV-UHFFFAOYSA-N 449.485 4.155 5 20 IIBD O=c1c2ccccc2n(Cc2nc(-c3ccnc(OCC(F)F)c3)no2)c2ccccc12 545138899 DCLIPKCHEJEXPU-UHFFFAOYSA-N 434.402 4.292 5 20 IIBD C[C@@H](NC(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 546224089 YOHGWIFSVKOHHI-OAHLLOKOSA-N 440.481 4.278 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 546779050 WDWDYABEQALYBM-CQSZACIVSA-N 442.337 4.337 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3nc(-c4ccc(Cn5cncn5)cc4)no3)cs2)cc1 547012287 PQFLXDCBQQPTTQ-UHFFFAOYSA-N 431.437 4.075 5 20 IIBD CCOC(=O)c1cc(Br)ccc1NC(=O)c1cc(OCC)ccc1[N+](=O)[O-] 549009130 DFIGQGYJMKEKCK-UHFFFAOYSA-N 437.246 4.185 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cccc(OCCCN(C)C)c1 550710656 VTSGAIDEAAERMP-UHFFFAOYSA-N 436.306 4.249 5 20 IIBD CN(CCc1nc(-c2ccccc2)no1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 557094603 KZDYYUPTFBHCNZ-UHFFFAOYSA-N 435.465 4.083 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC(Cc4ccccc4)CC3)n2C[C@H]2CCOC2)c1 559236196 RVRBNGTVQHEHCJ-OAQYLSRUSA-N 447.539 4.349 5 20 IIBD C[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1nccn1-c1ccccc1 561550232 VUJFYPCVJGNGOI-LLVKDONJSA-N 441.296 4.127 5 20 IIBD O=C(N[C@H](c1cccc(F)c1)C1CCCC1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 561645100 RPDGBPFTAODESZ-QFIPXVFZSA-N 439.487 4.273 5 20 IIBD COc1ccc(NC(=O)NCc2cccc(C(=O)NCc3ccc(C)cc3)c2)cc1[N+](=O)[O-] 571197743 KWLDEYCXHHXDAJ-UHFFFAOYSA-N 448.479 4.164 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc([C@H]2CC(=O)N(c3ccccc3)C2)no1 579284369 UAHFKKQAACOGGM-LBPRGKRZSA-N 443.257 4.236 5 20 IIBD O=C(c1ccc(Oc2ccccc2Cl)nc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 580179013 VLVKNMSOSKPQMT-UHFFFAOYSA-N 425.828 4.470 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 598404258 PQDLRVHBEDOSCB-BBRMVZONSA-N 432.860 4.150 5 20 IIBD CC(C)(C)c1cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)n(-c2ccc(F)cc2)n1 603621410 NZMYONNBGBKWQX-UHFFFAOYSA-N 426.404 4.198 5 20 IIBD O=C(NCc1cccc(COc2ccccc2)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 604024523 MMHUQRPPNVBYQZ-UHFFFAOYSA-N 428.448 4.290 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCc2[nH]c3ccc(Br)cc3c2C1 604318947 JDSQIBUDJNDDIQ-UHFFFAOYSA-N 443.301 4.149 5 20 IIBD COc1ccc2[nH]cc(C3CCN(C(=O)NCc4ccc(OC)c([N+](=O)[O-])c4)CC3)c2c1 604363877 XEHKXJWUZOKNLL-UHFFFAOYSA-N 438.484 4.183 5 20 IIBD CCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 604456090 WFUQKAYIBUFVDX-UHFFFAOYSA-N 428.363 4.429 5 20 IIBD COC(=O)c1ccccc1N(C)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 609095029 SFUSXCDSRTXNNT-HNNXBMFYSA-N 434.452 4.226 5 20 IIBD O=C(c1ccc(Oc2nc3sccn3c2[N+](=O)[O-])cc1)N1CCc2sccc2C1 609431483 YXTWLRORBXDFAJ-UHFFFAOYSA-N 426.479 4.356 5 20 IIBD CC(C)(NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1ccc(Br)cc1 609761666 UQJXFSODFLNSJA-UHFFFAOYSA-N 430.258 4.276 5 20 IIBD O=C(Nc1ccc(OC(F)F)c2ncccc12)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609761946 QVKOZHICCJMRJA-UHFFFAOYSA-N 426.335 4.251 5 20 IIBD C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 610122459 XHCCPESUMYKMIW-KRWDZBQOSA-N 436.537 4.455 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N2C[C@H](C(F)(F)F)CC[C@H]2C)cc1[N+](=O)[O-] 611542326 IDOYDBUGQSSNOX-PSASIEDQSA-N 445.257 4.017 5 20 IIBD CC[C@H](Nc1ncnc2ccc([N+](=O)[O-])cc12)c1ccccc1OCC(=O)N1CCCC1 611709854 UPDGEHROCHKTOV-IBGZPJMESA-N 435.484 4.102 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc([C@H]4CCCS4)no3)cc2)cc1[N+](=O)[O-] 612949150 LTZAIZIHLTZSMF-QGZVFWFLSA-N 446.510 4.322 5 20 IIBD COc1cc(C(=O)OCC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)ccc1[N+](=O)[O-] 725946831 WHTXBDGLMFCPDK-UHFFFAOYSA-N 444.459 4.261 5 20 IIBD C[C@@H](NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cc(F)ccc1N1CCN(C)CC1 726277827 FJTXVQXGAGBMPB-CYBMUJFWSA-N 435.887 4.022 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ccc(Br)cn2)cc1)c1cccc([N+](=O)[O-])c1 727296707 XGETVSCXVGMUCA-UHFFFAOYSA-N 442.225 4.224 5 20 IIBD CCc1ccc([C@@H](NC(=O)COC(=O)c2cc(F)cc([N+](=O)[O-])c2)c2cccs2)cc1 731528416 HQDLEZAPFMHMLQ-OAQYLSRUSA-N 442.468 4.420 5 20 IIBD Cc1csc(-c2cccc(OC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)c2)n1 731986808 RLIIPGNVGCCALU-HNNXBMFYSA-N 443.506 4.298 5 20 IIBD O=C(CCC[S@@](=O)c1ccc(Br)cc1)OCc1cc(F)ccc1[N+](=O)[O-] 735209834 IUWSUMULDWWDSY-AREMUKBSSA-N 444.278 4.128 5 20 IIBD Cc1ccc(C(=O)N[C@H](C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)C(C)C)cc1 735443892 IRBZOBJTOVQLFC-FQEVSTJZSA-N 437.452 4.056 5 20 IIBD Cc1cc(COC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c2ccccc2n1 735889436 HHFHVQGIPQQQTM-QFIPXVFZSA-N 433.464 4.108 5 20 IIBD CCCCc1nc(COC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)no1 736864356 REPICGWRGSSTLG-UHFFFAOYSA-N 440.243 4.170 5 20 IIBD CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 742948828 HQNUNKPSVKXJFY-NRFANRHFSA-N 436.556 4.179 5 20 IIBD Cc1nc(-c2ccccc2NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])no1 743252657 AVVCTNZSWRPHDQ-UHFFFAOYSA-N 429.241 4.061 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3cc([N+](=O)[O-])ccc3C)CC2)ccc1[N+](=O)[O-] 744200455 GFNGIGRLYOWQGU-UHFFFAOYSA-N 429.429 4.036 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Oc2ccc(OC(F)(F)F)cc2)ccc1[N+](=O)[O-] 744333857 JURMWKRBEAIRFT-QGZVFWFLSA-N 438.358 4.012 5 20 IIBD O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc(C2CC2)nc2ccc(F)cc12 745593740 VGULJEVKJKEPMN-NRFANRHFSA-N 435.411 4.122 5 20 IIBD CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2cccc(-c3ccccn3)c2)NC(=S)N1 749114135 TXZYSZOKWLVGRF-OAQYLSRUSA-N 445.504 4.088 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Oc3ccccc3C(=O)N(C)C)cc2[N+](=O)[O-])n1 751313086 JSQKYQKUFRWBIR-UHFFFAOYSA-N 443.506 4.432 5 20 IIBD COc1cc(Br)c(COC(=O)c2c(F)ccc([N+](=O)[O-])c2F)cc1OC 752559735 PWNAELXVKBEEDP-UHFFFAOYSA-N 432.173 4.010 5 20 IIBD C[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)OC1CCCC1)c1ccc([N+](=O)[O-])cc1F 754370260 VAGXUQJQBACRHL-BTYIYWSLSA-N 428.460 4.051 5 20 IIBD COc1cccc([C@H](OC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)(C)C)c1 754549617 BWLAWINQFDTMII-IBGZPJMESA-N 432.498 4.125 5 20 IIBD O=[N+]([O-])c1cc(NS(=O)(=O)c2cccc(Cl)c2Br)ccc1Cl 755004961 NDOFAPSHCTXCLD-UHFFFAOYSA-N 426.075 4.465 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Oc1ccccc1-c1nnco1 755371928 OTQUYZMUPNFKPX-UHFFFAOYSA-N 425.344 4.361 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2 760212684 YICWQJBYXXOOPJ-JEKNQQKASA-N 428.435 4.013 5 20 IIBD N=C(NOCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(CN2CCCCC2)c1 760349517 BKGSXYJZYZIUGH-UHFFFAOYSA-N 435.484 4.282 5 20 IIBD Cc1nc(CC(C)C)c(NC(=O)c2cc([N+](=O)[O-])ccc2I)s1 760837098 OPCRLYJBTHTRET-UHFFFAOYSA-N 445.282 4.415 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)Nc1ccc(Br)cc1 766220081 KPXDHLYMIWZKRZ-NSHDSACASA-N 444.241 4.090 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccc2ccccc2c1 766229218 ADGYOOYTOQPKHT-OAHLLOKOSA-N 429.432 4.330 5 20 IIBD Cc1c(C(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 769362980 CNTKSWUUUMMTPY-CQSZACIVSA-N 444.513 4.475 5 20 IIBD CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)cc1 770012672 FFDFPORNHRYHLA-AWEZNQCLSA-N 448.907 4.426 5 20 IIBD C[C@H](Cc1noc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1)N(C)C(=O)OC(C)(C)C 771122595 UCCOELHQCIIFKA-CQSZACIVSA-N 431.493 4.043 5 20 IIBD CCc1noc(CCCC(=O)O[C@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])n1 774371077 ZANSXRASJFFCQU-QGZVFWFLSA-N 440.294 4.057 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2csc(Cc3cccc(F)c3)n2)cccc1[N+](=O)[O-] 780184771 QACAJFFGPDBMNB-ZDUSSCGKSA-N 443.456 4.274 5 20 IIBD O=C(Nc1ccccc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1)OCc1ccccc1 781935407 YMDLTXKNYSJYOJ-UHFFFAOYSA-N 434.452 4.185 5 20 IIBD Cc1occc1C(=O)Nc1nc(CC(=O)OCc2cc(Cl)ccc2[N+](=O)[O-])cs1 782362289 RAJNNTCKWULAMR-UHFFFAOYSA-N 435.845 4.144 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1cccc(F)n1 783206282 LJAZVKNZBXZMPZ-GOSISDBHSA-N 429.791 4.319 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 785124281 PHGDLEONGUISHT-GFCCVEGCSA-N 441.793 4.222 5 20 IIBD C[C@@H](Cc1cccc(Cl)c1F)OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 788411170 CVPWKAFGUXDNMK-SMDDNHRTSA-N 440.880 4.228 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Oc1ccc(S(=O)(=O)c2ccccc2)cc1 791522398 BYVYNVWYBNZEBS-UHFFFAOYSA-N 427.434 4.046 5 20 IIBD CC(C)(C)OC(=O)N1CC=C(CCNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 794172725 IDVVQJMDBSXHFW-UHFFFAOYSA-N 443.422 4.301 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)COc3cc(F)c([N+](=O)[O-])cc3Cl)cc2)C[C@H](C)O1 795247216 DYQCWZVWNPASLG-STQMWFEESA-N 437.855 4.018 5 20 IIBD CCOC(=O)Oc1ccc(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 800286777 IORZSYQKPXCZCF-LBPRGKRZSA-N 427.369 4.098 5 20 IIBD O=[N+]([O-])c1ccc(Br)c(NNCn2[nH]c(/C=C/c3ccccc3)nc2=S)c1 802741892 VJGQEZFMORYSLU-RMKNXTFCSA-N 447.318 4.356 5 20 IIBD C[C@H](Cn1ccc2ccccc21)C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 803794154 NYWDLYATIXVJGU-ZIAGYGMSSA-N 429.860 4.409 5 20 IIBD Cc1nc(Cl)c(Cl)cc1C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 805721391 DXHMVZOPBBTPHK-QMMMGPOBSA-N 432.647 4.442 5 20 IIBD COC1(CCOC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCC1 809054019 ACXPXBLYZIHZQF-UHFFFAOYSA-N 430.423 4.332 5 20 IIBD COC[C@@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F 809838931 FEGGJLJPIFCIGX-HNNXBMFYSA-N 437.276 4.049 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@H](CCO)c1ccccc1Br 809912911 ODSDTXTZNMLFMT-GFCCVEGCSA-N 428.670 4.256 5 20 IIBD CCc1ccc(OS(=O)(=O)c2cnc3onc(-c4ccccc4)c3c2)c([N+](=O)[O-])c1 810049850 CNHAWDPIRGYGEW-UHFFFAOYSA-N 425.422 4.128 5 20 IIBD O=C1CSc2cc(C(=O)Oc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)ccc2N1 810533740 UXBHBWJYAZJSSC-UHFFFAOYSA-N 449.444 4.111 5 20 IIBD COc1ccc([C@H](CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])N2CCCC2)cc1 812830978 GQHVEVJELBAANI-SFHVURJKSA-N 438.311 4.477 5 20 IIBD COc1cc(COC(=O)c2cnc3c(F)ccc(F)c3c2)c([N+](=O)[O-])cc1OC(F)F 815357953 UQBHHOZAXFACBG-UHFFFAOYSA-N 440.305 4.388 5 20 IIBD COc1cc(Cl)cc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 815460242 IPSMIVSKVLYCOF-VIFPVBQESA-N 446.765 4.460 5 20 IIBD C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](C)c1ccc(N2CCCOC2=O)cc1 815635172 YHTRCUSBCSPZCR-HOTGVXAUSA-N 426.473 4.009 5 20 IIBD O=Cc1ccc(OCC(=O)Nc2cccc(-c3ccc(F)cc3Cl)n2)c([N+](=O)[O-])c1 816802568 QJOXIKGPHILOEI-UHFFFAOYSA-N 429.791 4.279 5 20 IIBD CC(C)(C)OC(=O)N1CC2(CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC2)C1 820149625 LZLXNBMUHKBQMR-UHFFFAOYSA-N 431.514 4.283 5 20 IIBD O=C(CCc1ncc(-c2ccccc2F)o1)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 914900116 CROAONLYHFOPLJ-UHFFFAOYSA-N 438.371 4.115 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1OC(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1 916403246 YVNPILBGGPMAQT-UHFFFAOYSA-N 426.498 4.347 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)OCc1nnc(-c2cc3c(s2)CCCC3)o1 916403264 PNZFKUJUXYYWEP-UHFFFAOYSA-N 431.495 4.421 5 20 IIBD CCOC(=O)Nc1ccc(Nc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])cc1 917074547 YWIIGLUADTYDGJ-UHFFFAOYSA-N 448.501 4.081 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccccc2C(F)(F)F)cc1Br 917868522 XTTHCNJSNMJLPF-UHFFFAOYSA-N 426.166 4.144 5 20 IIBD Cc1cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(Br)cc2n1 919523039 GCCHHGCGQFMZKZ-UHFFFAOYSA-N 429.226 4.254 5 20 IIBD COc1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccc(F)cc2)cc1 919995358 GSHVBCBUDAUYCF-FQEVSTJZSA-N 425.372 4.170 5 20 IIBD O=C(CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccccc1)O[C@@H]1CCCCC1=O 920021712 WPUAJCYYYSIWOU-LJQANCHMSA-N 425.466 4.081 5 20 IIBD O=C(c1ccc(Cl)cc1)c1ccc(OCC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc1 1252189301 AXDZZCURNBBXFX-UHFFFAOYSA-N 436.851 4.400 5 20 IIBD Cc1cc([C@@H](C)NC(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c(C)o1 1318018555 FBUVGFDBPANJIA-CQSZACIVSA-N 444.465 4.063 5 20 IIBD COc1ccc(Cc2nnc([C@@H](C)Oc3cccc(Br)c3)o2)cc1[N+](=O)[O-] 1322216029 KQNQCHAEZJUDFD-LLVKDONJSA-N 434.246 4.480 5 20 IIBD COc1ccc([C@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c2ccccc2OC)cc1 1324365690 OMUOZTIRGXNLGA-QHCPKHFHSA-N 433.464 4.427 5 20 IIBD O=C(c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2CCCC[C@H]2C1 1337821314 WTFUQCSNWKOHBX-IRXDYDNUSA-N 443.525 4.048 5 20 IIBD O=C(NC1CC1)c1ccc(NC2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)c([N+](=O)[O-])c1 1347505418 PTANYWXGLYFRSW-FRIKZZABSA-N 434.540 4.485 5 20 IIBD Cc1ccc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccc([N+](=O)[O-])o4)cc3)CCC2)cn1 1786206266 FKQNGVYGOZDPSS-PKNBQFBNSA-N 446.463 4.352 5 20 IIBD Cc1n[nH]cc1C(=O)Nc1ccc(C2(NC(=O)CCc3cccc([N+](=O)[O-])c3)CCC2)cc1 1790117809 WUKIYQJQGZKNRH-UHFFFAOYSA-N 447.495 4.007 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@H]3CCCS3)cc2)CCC1)c1ccc([N+](=O)[O-])cc1F 1792013956 IBJKYLLEAYNDOG-LJQANCHMSA-N 443.500 4.377 5 20 IIBD C[C@@]1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CC=CCC1 1793081219 YLFWFHYJIXCXNM-ISJRUSPKSA-N 445.947 4.175 5 20 IIBD CCC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])C3)CCC1 1797904465 ISUMQLPTANSIDI-BCDXTJNWSA-N 433.936 4.009 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)ccc1Cl)c1cc(F)cc([N+](=O)[O-])c1 1800462462 ANQWHPCLVGSMMF-MUJYYYPQSA-N 449.841 4.092 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)c(F)c2)CC1 1830095915 ZIJBUXGVVLVDFW-SFHVURJKSA-N 447.438 4.013 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1OC 3401080 SPTMLNMNZLAOJY-CYBMUJFWSA-N 427.486 4.001 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)Cc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 15711479 XVCKHTXWQKWLSH-SNVBAGLBSA-N 427.240 4.023 5 20 IIBD CCn1c(C)cc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1C 17887470 ICWOIHHOQHGYKQ-LBPRGKRZSA-N 427.379 4.236 5 20 IIBD COC(=O)c1ccc(C)c(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 19203402 ZHNJBANILMIBGO-UHFFFAOYSA-N 425.363 4.149 5 20 IIBD CCCN(Cc1ccc(C)cc1)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 21835196 ZDSWOOBXHVRLIJ-UHFFFAOYSA-N 425.514 4.235 5 20 IIBD CSCC[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)OCc1cccc(C)c1 23871336 NLIQDBPKLPQODL-KRWDZBQOSA-N 436.917 4.152 5 20 IIBD COCc1ccccc1CNc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 26719002 DGDYADFRXUCDEQ-UHFFFAOYSA-N 427.482 4.154 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCO[C@@H](c2ccc(F)cc2)C1 46576639 YXSYPJYVAJYRCS-GOSISDBHSA-N 441.381 4.155 5 20 IIBD Cn1cc(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 65089455 OEIFPLLFXJERRO-UHFFFAOYSA-N 447.495 4.054 5 20 IIBD O=C(NCC1CCN(Cc2ccccc2)CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 65125022 OJYCUUPPAVTWOL-UHFFFAOYSA-N 436.537 4.360 5 20 IIBD O=C(c1c(Cl)cccc1Cl)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 301092521 UAGSQJJJQZJGOM-UHFFFAOYSA-N 431.279 4.412 5 20 IIBD COc1ccc(NC(=O)Cn2cc(Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)cn2)cc1 301819752 IXXUMZKOMZUADN-UHFFFAOYSA-N 435.362 4.201 5 20 IIBD O=C1OCCN1c1ccc(CNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1 302107066 XZTTUEAYVHFIRC-UHFFFAOYSA-N 426.307 4.091 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3c(C(N)=O)oc4ccccc34)cc2[N+](=O)[O-])C1 302757678 USGGBGZUVHFZFK-OKILXGFUSA-N 436.468 4.175 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(F)cc3Cl)n2)c([N+](=O)[O-])c1 427651573 RBEQTBFWLXBINL-UHFFFAOYSA-N 437.836 4.259 5 20 IIBD O=C(N[C@@H]1CSc2ccc(Br)cc21)c1cc(O)nc2ccc([N+](=O)[O-])cc12 428206971 LYDQZZKEHRPLKT-OAHLLOKOSA-N 446.282 4.188 5 20 IIBD O=C(Nc1cccc(F)c1-c1nc[nH]n1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 428226524 PHEJGVACOZXWMZ-UHFFFAOYSA-N 432.415 4.383 5 20 IIBD O=c1c(Br)cc([N+](=O)[O-])cn1Cc1csc(-c2ccc(Cl)cc2)n1 428325243 KZYGPWIVZQZQMM-UHFFFAOYSA-N 426.679 4.344 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(Cc1ccc(Cl)cc1)Cc1cnn(C)c1 430280518 PSTMTCBMDLLYRM-UHFFFAOYSA-N 441.919 4.321 5 20 IIBD CC(C)(NC(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1ccc([N+](=O)[O-])cc1 430550196 YMTGVTQDJHENQJ-UHFFFAOYSA-N 443.554 4.393 5 20 IIBD COc1ccc(C(=O)N2C[C@H](C)C(=O)N(Cc3ccccc3)c3ccccc32)cc1[N+](=O)[O-] 430840238 REWBOHVQJNTHSD-KRWDZBQOSA-N 445.475 4.433 5 20 IIBD CC(C)N(CC(=O)O)C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 431440398 HXBCUMSQROCSHP-WJDWOHSUSA-N 439.493 4.457 5 20 IIBD Cc1cccc(O[C@H]2CCCC[C@H]2NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 435754490 XFHADNQZOWRVAD-MOPGFXCFSA-N 431.876 4.002 5 20 IIBD CCN(CC)CC1CCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CC1 436248264 PTJMVVQWSSRFIE-UHFFFAOYSA-N 427.495 4.154 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O 436752747 BJLGSUBSVUMLJE-UHFFFAOYSA-N 447.494 4.032 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(F)c(C(=O)N(C)C)c3)cc2[N+](=O)[O-])C1 438419340 OWUTYGJWOSHOGQ-HUUCEWRRSA-N 442.491 4.170 5 20 IIBD Cc1c(CC(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)cccc1[N+](=O)[O-] 438832358 UNIYSRTZZJXOBB-UHFFFAOYSA-N 430.526 4.332 5 20 IIBD CC[C@@H](C[C@H](C)CO)Nc1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1[N+](=O)[O-] 439709465 OKWLTLAMWMYSLR-IRXDYDNUSA-N 435.546 4.019 5 20 IIBD COCCO[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1 444466008 UXXAZTDUZQBGIY-INIZCTEOSA-N 436.917 4.277 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 444641499 VFVLKWWWMURYOM-SFTDATJTSA-N 442.475 4.470 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1cccc(NC(=O)c2cccs2)c1 444833361 GDNABAGJUFQZHR-UHFFFAOYSA-N 436.453 4.107 5 20 IIBD CCCCc1ccc(NC(=O)Cc2noc(-c3cc(O)nc4ccc([N+](=O)[O-])cc34)n2)cc1 445323073 OWDKGNOPVPIBKB-UHFFFAOYSA-N 447.451 4.422 5 20 IIBD Cc1ccc(-n2nc(C)cc2NC(=O)Cc2noc(/C=C\c3ccc([N+](=O)[O-])cc3)n2)cc1 445488186 CNADOCWVKWAVNV-GHXNOFRVSA-N 444.451 4.132 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC(c2nc([C@@H]3CCCOC3)no2)CC1 445518375 KSEUZPWORQGAPJ-CYBMUJFWSA-N 426.395 4.275 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)NCC1(c2cccc(Br)c2)CCOCC1 445995098 KOXLVYVMKOXFAS-UHFFFAOYSA-N 447.329 4.155 5 20 IIBD Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 446860772 IPRMQLIFAZQILM-KRWDZBQOSA-N 436.434 4.429 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(OC(F)(F)F)c2)c(Br)c1 447010928 NLSAPHZPSWESEC-UHFFFAOYSA-N 441.181 4.057 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)Cc1ccccc1[N+](=O)[O-] 447632532 KZOXJDIMUJNYID-UHFFFAOYSA-N 443.456 4.024 5 20 IIBD O=C(c1ccc2cc(Br)ccc2c1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 448245012 ZSVRGRIRZQXFKN-KRWDZBQOSA-N 441.285 4.232 5 20 IIBD CS(=O)(=O)c1cc(C(=O)Nc2ncc(-c3ccc(Cl)cc3)s2)cc([N+](=O)[O-])c1 461085397 OFKIFMJLXITSND-UHFFFAOYSA-N 437.886 4.028 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CC[C@@H](n4cc(Cl)cn4)C3)cc2[N+](=O)[O-])n1 461630431 XPCODWUSLNDALL-CQSZACIVSA-N 449.945 4.448 5 20 IIBD Cc1noc(CSc2ccc(C(=O)N=c3cc(C)[nH]c4ccc([N+](=O)[O-])cc34)cc2)n1 462582006 QZCXZRHVYKWDMA-UHFFFAOYSA-N 435.465 4.109 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 462647381 XPMCRCFIUBBHLD-SFHVURJKSA-N 444.491 4.400 5 20 IIBD O=C(c1cccc(C(F)(F)F)c1)N1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 462784748 JCBMHPUYQKXWJK-UHFFFAOYSA-N 445.344 4.177 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@@H](C)Oc2ccc(F)cc2)cc1[N+](=O)[O-])c1ccccn1 463948485 XTYPOOBIIYTFAO-CVEARBPZSA-N 438.459 4.499 5 20 IIBD O=C(NCC(=O)N1Cc2ccccc2C[C@H]1c1ccccc1)c1c(Cl)cccc1[N+](=O)[O-] 464214183 WLWLXSWAFRZFDF-NRFANRHFSA-N 449.894 4.304 5 20 IIBD CCOC(=O)[C@@H](Cc1ccccc1Cl)NC(=O)c1cc([N+](=O)[O-])ccc1SCC 464456219 QHBGVWNCKBOMEU-QGZVFWFLSA-N 436.917 4.264 5 20 IIBD CC(C)(C)c1nc2ccc(NC(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)cc2s1 465156235 GYDZIPZIGZWJMQ-UHFFFAOYSA-N 427.482 4.454 5 20 IIBD CCc1ccc([C@H](CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)N(C)C)cc1 465425271 BOGOJLWKDRYFBX-QHCPKHFHSA-N 440.544 4.013 5 20 IIBD COc1ccccc1-c1noc([C@@H](C)NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)n1 465982489 QDPRYLZYZJSFIV-OAHLLOKOSA-N 439.472 4.037 5 20 IIBD O=C(NCC(=O)N1CCC[C@@H](Cc2csc3ccccc23)C1)c1cccc([N+](=O)[O-])c1 466508640 PCTVBJSOMWJKLO-INIZCTEOSA-N 437.521 4.021 5 20 IIBD CC(=O)N(c1nc(Cn2ccc(=O)c([N+](=O)[O-])c2)cs1)c1c(C)cc(C)cc1Cl 468089432 XYCNFABITLUTTJ-UHFFFAOYSA-N 432.889 4.216 5 20 IIBD C[C@H](O)C[C@H](CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccccc1 468987747 OFIUZLXBJVMGJO-WAOWUJCRSA-N 448.523 4.447 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC(=Cc2ccc(F)c(F)c2)CC1 469615173 JSTORDVVUTZJST-UHFFFAOYSA-N 429.423 4.134 5 20 IIBD CCOC(=O)C1(CNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC1 472267822 JSJGAVSCSPHXHN-UHFFFAOYSA-N 434.901 4.473 5 20 IIBD CNC(=O)c1ccc(N[C@@H](c2cccc(OC)c2)c2cc(F)ccc2OC)c([N+](=O)[O-])c1 474154134 MXNRFOPPLNURJI-QFIPXVFZSA-N 439.443 4.312 5 20 IIBD Cc1nc(-c2ccc(CNS(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)o2)cs1 477149785 LEUYSRNVSRJUDP-UHFFFAOYSA-N 427.891 4.060 5 20 IIBD O=C(N[C@H](CCc1ccccc1)C(F)(F)F)C1CCN(c2ccccc2[N+](=O)[O-])CC1 478724517 PPWOLOBVXRSNJF-HXUWFJFHSA-N 435.446 4.491 5 20 IIBD CC[C@H](Cc1ccccc1Br)N(C)C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 479763249 HNASTYATNUZSDL-MRXNPFEDSA-N 449.301 4.237 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)N(C)[C@H](c2ccc(Cl)cc2)c2cnccn2)c1[N+](=O)[O-] 480705816 NFUUCWXJSQJRSD-LJQANCHMSA-N 446.916 4.065 5 20 IIBD CC(C)C(=O)Nc1ccc(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 485614101 KFDYFVNCMPEXQY-UHFFFAOYSA-N 438.406 4.208 5 20 IIBD CCOC(=O)c1cnc(C)c(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 486456240 COIOJDAOZCUOGC-UHFFFAOYSA-N 435.436 4.306 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Br)cnc1O 488330606 ZYUJIBRFKKCXIR-UHFFFAOYSA-N 426.292 4.458 5 20 IIBD C[C@@]1(c2ccc(Br)s2)NC(=O)N(Cc2c(Cl)cccc2[N+](=O)[O-])C1=O 488810079 PNTRKRMKKNIDBF-HNNXBMFYSA-N 444.694 4.039 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])NCc1ccc(Cn2cnc3ccccc32)cc1 489625783 QPHNEIGENKJKDP-UHFFFAOYSA-N 429.480 4.111 5 20 IIBD CCOCCOc1ccc(Br)cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 490232999 APNSKDLPSKFYKF-UHFFFAOYSA-N 427.226 4.164 5 20 IIBD O=C(N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1)c1cc2c(c([N+](=O)[O-])c1)OCO2 490722604 UYQZTOASDXLHBV-KRWDZBQOSA-N 425.828 4.086 5 20 IIBD COc1c(S(=O)(=O)Nc2ccccc2SC)cc(Br)c(C)c1[N+](=O)[O-] 491721677 TXLSVLPVGQSPSO-UHFFFAOYSA-N 447.332 4.197 5 20 IIBD CC(C)[C@H](NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1Cl 497991235 VELCWSAUKRRIGV-FQEVSTJZSA-N 429.904 4.253 5 20 IIBD O=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1cc([N+](=O)[O-])ccc1SCCO 498071467 KQRABWJRNRNKJT-UHFFFAOYSA-N 434.477 4.270 5 20 IIBD CCOc1cc(C(=O)NCc2ccnc(OC3CCCCC3)c2)c([N+](=O)[O-])cc1OC 500001436 QNCBRENBZOKSMY-UHFFFAOYSA-N 429.473 4.039 5 20 IIBD NC(=O)c1ccc(SCC(=O)N[C@H](CCc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 502996271 YBXCBDBYEUBHKA-HXUWFJFHSA-N 449.532 4.276 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC1CCN(c2ccccc2)CC1 507612617 GAFJIHREGPSREA-UHFFFAOYSA-N 436.434 4.201 5 20 IIBD CN(Cc1cccnc1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 507893934 ZTIHPEJNSIWXQD-UHFFFAOYSA-N 427.464 4.044 5 20 IIBD CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)C1 508950915 RSOAAKHIKXETSA-CZUORRHYSA-N 430.530 4.250 5 20 IIBD COCCOc1ccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc1F 510050282 OKRUVWRMWQOTHD-HOTGVXAUSA-N 445.491 4.494 5 20 IIBD COc1ccc(C2(CNC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CCOCC2)cc1 510174990 HIBLMPCHEKQUAR-UHFFFAOYSA-N 426.494 4.296 5 20 IIBD COc1cc(CCNC(=O)N[C@H](c2ccc(F)cc2)C2CCC2)c([N+](=O)[O-])cc1OC 511321165 KJQYGOPSLHFADM-NRFANRHFSA-N 431.464 4.134 5 20 IIBD COC(=O)COc1ccc(CNc2cccc3cc(Br)cnc23)cc1[N+](=O)[O-] 512496617 LZBAGGXIRZMKRV-UHFFFAOYSA-N 446.257 4.069 5 20 IIBD CSc1ccc(C(=O)Nc2ccc(Cl)c(F)c2N2CCOCC2)cc1[N+](=O)[O-] 512899634 DUVODLWGSXHPIT-UHFFFAOYSA-N 425.869 4.198 5 20 IIBD CCOc1cc(NC(=O)C(=O)N2CCC[C@H]2c2cccc(C)c2)c([N+](=O)[O-])cc1OCC 516479083 XLPLROJBBNXEOA-SFHVURJKSA-N 441.484 4.003 5 20 IIBD Cc1nc(-c2ccc(CNC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)s2)cs1 518412609 GTPJWKTVSDLBFZ-UHFFFAOYSA-N 439.522 4.419 5 20 IIBD COc1cc(OCC(=O)Nc2nc(C)c(Cc3ccc(F)cc3)s2)ccc1[N+](=O)[O-] 519980610 VIXRVEACUJQZNI-UHFFFAOYSA-N 431.445 4.116 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1 522362097 ZMFASOPIXPNPAZ-NDEPHWFRSA-N 430.507 4.012 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(SCc2cccnc2)cc1 522846455 FABJCGAXZDCTLF-SFHVURJKSA-N 440.529 4.153 5 20 IIBD CC(C)NC(=O)c1ccc(Cl)c(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 524168307 RTXIFMJPSRNAFA-UHFFFAOYSA-N 441.875 4.039 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]1Cn1cnc2ccccc21 535196025 JUJRYCQJOOTQRE-ZBFHGGJFSA-N 428.876 4.056 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(c2ccc(F)cc2Cl)CC1 535247603 OIGRYKMEQKLBBH-ZDUSSCGKSA-N 431.855 4.321 5 20 IIBD Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 535652252 VKFIFCSGKKVARV-INIZCTEOSA-N 449.511 4.202 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCC(=O)c2ccccc2OC)cc1 536462777 HXLWKZXVEMPOOL-UHFFFAOYSA-N 436.420 4.017 5 20 IIBD O=C(Nc1cccc(OC(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 536862330 HFGLKACBGCRBBN-UHFFFAOYSA-N 425.348 4.015 5 20 IIBD O=C(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)Nc1ncc(Cc2ccc(F)cc2)s1 540859403 KCFMQEFAKZWNHV-UHFFFAOYSA-N 437.456 4.283 5 20 IIBD COc1ccc(NC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)cc1[N+](=O)[O-] 541102704 NKYMZPOMASHDIO-UHFFFAOYSA-N 432.908 4.291 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](C)c1nccs1 541625308 PMYLBKAOIAEABA-ZDUSSCGKSA-N 448.526 4.076 5 20 IIBD C[C@H](C(=O)Nc1ccc(Sc2nncn2C)c(Cl)c1)c1ccc([N+](=O)[O-])cc1F 543553105 LOBJWAYCQIOTEB-JTQLQIEISA-N 435.868 4.409 5 20 IIBD O=C(NCCc1cnccn1)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 547773105 USWWTLGPWVVKIT-UHFFFAOYSA-N 437.506 4.118 5 20 IIBD COc1ccc(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1Oc1ccc(C)nn1 549202082 SSNFYZCMYMTJOY-UHFFFAOYSA-N 437.456 4.201 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCN(c2ncc(Cl)cc2Cl)CC1 555366924 NXBOJULDVXTIGF-UHFFFAOYSA-N 449.216 4.278 5 20 IIBD Cc1ccc(S(=O)(=O)NC[C@@H](NCc2ccccc2[N+](=O)[O-])c2ccccc2)c(C)c1 557546914 IFRCHYYHULLBBE-OAQYLSRUSA-N 439.537 4.021 5 20 IIBD COc1ccc(COCc2noc(-c3cc([N+](=O)[O-])cc(Br)c3C)n2)cc1 558312607 FIYJLGDJZCMNTJ-UHFFFAOYSA-N 434.246 4.441 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccs1)N1CCCC1 559544108 VQZZQEWYLFQCQW-INIZCTEOSA-N 438.347 4.294 5 20 IIBD CCSCc1cccc(NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c1 560202322 OQHWOMSRDOBXCV-UHFFFAOYSA-N 438.303 4.188 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1cccc(NC(=O)C2CC2)c1 561143930 HIDJBYIOOOMWIA-UHFFFAOYSA-N 429.432 4.427 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 564061845 FISSIEABGIMHLH-QGZVFWFLSA-N 449.351 4.215 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3-n3cccn3)no2)ccc1[N+](=O)[O-] 573841702 KODJNJDEBRGKLD-HXUWFJFHSA-N 444.451 4.116 5 20 IIBD COc1cc(Cc2noc(-c3ccc(N(C)c4ccccc4)nc3)n2)c([N+](=O)[O-])c(OC)c1 580694712 XJSJOGQBDUEQGB-UHFFFAOYSA-N 447.451 4.416 5 20 IIBD CC(C)(C)c1ccc(C(=O)Nc2ccc(Oc3nccc(C(N)=O)c3[N+](=O)[O-])cc2)cc1 582095078 YWMHXNWWOXCPBU-UHFFFAOYSA-N 434.452 4.431 5 20 IIBD COc1cc(-c2nc(CC(=O)Nc3ccc(Cl)cc3Cl)no2)cc([N+](=O)[O-])c1C 582553052 GTUOKSQRZHPVFD-UHFFFAOYSA-N 437.239 4.450 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC3(CCOCC3)CC2)cc1 586840389 UORUSFKWGVWCBU-UHFFFAOYSA-N 426.469 4.429 5 20 IIBD COc1ccc(Nc2ccc([N+](=O)[O-])c3cccnc23)cc1S(=O)(=O)N1CCCCC1 601687098 SDXDLQYKPSGBOM-UHFFFAOYSA-N 442.497 4.070 5 20 IIBD O=C(c1ccc(Cl)cc1)c1ccccc1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 603903206 NMIIHKXWRRYXEN-UHFFFAOYSA-N 449.894 4.442 5 20 IIBD C[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1)c1cccc([N+](=O)[O-])c1 603965663 HSVXXCXWWUFHQV-MRXNPFEDSA-N 445.541 4.039 5 20 IIBD CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 609410930 QPIURQQFAGGPDY-HNNXBMFYSA-N 434.283 4.233 5 20 IIBD O=C(Nc1c(Cl)cc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1Cl)c1cnccn1 609697723 NKNAVBCSXMIAID-UHFFFAOYSA-N 438.252 4.258 5 20 IIBD COCCOc1cccc(C(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)c1 609816787 IALYJOFXDVBWFU-UHFFFAOYSA-N 448.435 4.318 5 20 IIBD O=C(Nc1cccc(Cl)c1SCC(F)F)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 609908657 JJJILJUASXVSAS-UHFFFAOYSA-N 439.831 4.438 5 20 IIBD Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2Br)n(-c2ccccc2F)n1 609962087 UURZYMDQTFLQQU-UHFFFAOYSA-N 449.236 4.008 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)NCC2(c3cccs3)CCCCC2)cc1OC 610049269 RKKCUORPZPODGR-UHFFFAOYSA-N 448.541 4.322 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1N1CCCCCC1 610103624 NDJBFYOBUOOFMP-UHFFFAOYSA-N 438.528 4.053 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(OCc2ccc(F)cc2)CC1 611266369 IRPZHHLGFWFKPZ-UHFFFAOYSA-N 436.867 4.364 5 20 IIBD O=[N+]([O-])c1ccc2ncnc(NC3CCN(Cc4coc(-c5ccccc5)n4)CC3)c2c1 611710972 QCIBCMURNAHHHV-UHFFFAOYSA-N 430.468 4.270 5 20 IIBD COc1ccc(Br)cc1[C@@H]1CCCN1Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 725777282 FRRFYMAMRIRTNC-HNNXBMFYSA-N 448.273 4.068 5 20 IIBD Cc1ccc(CCC2CCN(C(=O)COC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])CC2)cc1 725938011 UUNZFZYNUIRIEM-UHFFFAOYSA-N 446.450 4.210 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccccc1NCc1ccccc1 726831913 VFHDOJIXEMYUAT-UHFFFAOYSA-N 435.436 4.011 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)C(=O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 727101851 LTUGORQNHMYZKJ-GOSISDBHSA-N 444.871 4.059 5 20 IIBD C[C@H](OC(=O)Cc1cccc(Cl)c1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 727879147 GQQFYGJUIWDSTD-LBPRGKRZSA-N 445.884 4.485 5 20 IIBD O=[N+]([O-])c1cc2c(cc1S(=O)(=O)Oc1c(Cl)cc(Cl)cc1Cl)OCCO2 728293830 KJTUSYNKRADXAP-UHFFFAOYSA-N 440.644 4.094 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)O[C@H](c2ccccc2)c2cccnc2)cc1[N+](=O)[O-] 728417965 IIQYHDJFJXLLIB-HXUWFJFHSA-N 447.476 4.216 5 20 IIBD COc1cc(C(=O)N[C@@H](c2ccccc2)C2CCOCC2)c([N+](=O)[O-])cc1OC(F)F 734349386 FOSUGIMXHRCXRM-IBGZPJMESA-N 436.411 4.103 5 20 IIBD CN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1F 742222073 LYQJOCCFLSRPIM-UHFFFAOYSA-N 438.371 4.171 5 20 IIBD COc1ccc(OCCOC(=O)c2cc(Br)ccc2Cl)c([N+](=O)[O-])c1 744485064 QMNFHJVSYOOUPM-UHFFFAOYSA-N 430.638 4.255 5 20 IIBD Cc1ccc(C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)c(O)n1 744556288 QXRNQPGFIFBVBI-SFHVURJKSA-N 441.827 4.194 5 20 IIBD COc1ccc(OCCOC(=O)c2cc(Cl)ccc2Br)c([N+](=O)[O-])c1 744671359 GHBXRMYLWUMHJX-UHFFFAOYSA-N 430.638 4.255 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O[C@@H](C)c1nc(Cc2ccccc2)no1 744869369 JCJUNPZERAJBJT-STQMWFEESA-N 431.832 4.294 5 20 IIBD COC(=O)c1cc2cc(COC(=O)c3cc(SC)c(OC)cc3[N+](=O)[O-])ccc2o1 744953589 YUAFFFYZUGSOTO-UHFFFAOYSA-N 431.422 4.215 5 20 IIBD O=C(COC(=O)Cc1cccc([N+](=O)[O-])c1)N[C@H](c1ccccc1)c1cccc(Cl)c1 745332250 FIFGJWKJTQTSEF-HSZRJFAPSA-N 438.867 4.240 5 20 IIBD Cc1ccc(-n2c(SC[C@@H](O)c3cccc([N+](=O)[O-])c3)nnc2-c2ccncc2)cc1 749663305 OMACKXOKPJKWBZ-HXUWFJFHSA-N 433.493 4.372 5 20 IIBD COc1cc(/C=C\c2ncc(/C=C\C(=O)O)s2)c([N+](=O)[O-])cc1OCC(F)(F)F 751041703 ZSVHXWBSLWMXRD-JVLMNHKTSA-N 430.360 4.269 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC(OC[C@@H]2CCCO2)CC1 751238637 IKTYXCLJVCDNBR-HNNXBMFYSA-N 436.306 4.070 5 20 IIBD CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)c1 751265394 MUSFQGRFEUGDNN-UHFFFAOYSA-N 446.312 4.231 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 758498238 JBVJUHNFFYMMRI-OLZOCXBDSA-N 426.901 4.405 5 20 IIBD C[C@@H](OC(=O)/C=C\c1ccc(Cl)nc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 758700108 XZLNVYSFQGPXNS-WXGCRTCVSA-N 443.765 4.246 5 20 IIBD CCCN(CCC)C(=O)c1cccc(C(=O)O[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 759948514 MMICWDUTCQYZJM-UXHICEINSA-N 442.516 4.394 5 20 IIBD O=C(CCCc1nc(-c2cccs2)no1)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760490244 IXZHMPSJSDOTCU-UHFFFAOYSA-N 440.437 4.427 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CCO[C@H](c2cccc(Cl)c2)C1 760873513 OVACSXKJCSKUJO-HNNXBMFYSA-N 425.666 4.224 5 20 IIBD O=C1C[C@@H](c2nc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)no2)CN1CC(F)(F)F 761856637 BUBQJIDNBMFCNG-CYBMUJFWSA-N 448.357 4.315 5 20 IIBD CC1CCN(c2ccc(-c3nc(-c4ccnc(-n5ccnc5)c4)no3)cc2[N+](=O)[O-])CC1 762053524 IGYAEKBUWKNAET-UHFFFAOYSA-N 431.456 4.129 5 20 IIBD CCCC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)c1 763434764 UAKICPXKDBIEBC-UHFFFAOYSA-N 429.857 4.235 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCN(Cc2ccc(Br)s2)CC1 767162081 RPMGWEKNIDOWIW-UHFFFAOYSA-N 444.738 4.030 5 20 IIBD O=C(Nc1ccn(-c2ncccc2C(F)(F)F)n1)c1cc([N+](=O)[O-])ccc1N1CCCC1 769320286 FRPXXJCCLWORIH-UHFFFAOYSA-N 446.389 4.047 5 20 IIBD CCSc1cccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2cccc([N+](=O)[O-])c2)c1 769850578 AOUHXJWSIHSWSO-SFHVURJKSA-N 428.539 4.138 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)CCCc2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1C 770830610 FHNBFWWKFVVPAI-UHFFFAOYSA-N 444.431 4.058 5 20 IIBD O=[N+]([O-])c1ccc(CCc2nc(-c3cnn(-c4cccc(Cl)c4)c3)no2)c([N+](=O)[O-])c1 771280971 UQMSLRXHYVZDDS-UHFFFAOYSA-N 440.803 4.177 5 20 IIBD Cc1ccc(Cl)cc1NC(=O)COC(=O)c1sc(Br)cc1[N+](=O)[O-] 773606156 QAMCSZSXPHWPFC-UHFFFAOYSA-N 433.667 4.176 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CSc1nnc(-c3ccc(Cl)cc3)o1)CC2 773993157 XUSMAHSSASVALG-UHFFFAOYSA-N 430.873 4.288 5 20 IIBD CC(C)([C@H](OC(=O)CCn1cc(Cl)cn1)c1ccc(Br)cc1)[N+](=O)[O-] 774373709 PJHXRRRVMIQABU-OAHLLOKOSA-N 430.686 4.029 5 20 IIBD CN1CCC(N(C)[C@H]2CCCC[C@@H]2N(C)C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 775999146 SYXIFMJZTRVCFN-PMACEKPBSA-N 437.972 4.049 5 20 IIBD CCC(=O)c1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Br)cc2C)c1 777639290 CMMTZYKKPRLICP-UHFFFAOYSA-N 427.276 4.059 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)[C@@H]1CCN(Cc2ccccc2)C1 779009302 FUGDGACXPDAUIP-PZJWPPBQSA-N 436.556 4.226 5 20 IIBD COc1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Br)C(F)(F)F)cc1 780301993 DHKUJCNBZRSBQU-CQSZACIVSA-N 433.180 4.399 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccc(Cl)cc1 781260406 NATLNLCNPZYGLW-CQSZACIVSA-N 434.879 4.369 5 20 IIBD C[C@H](OC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1nnc(-c2cccc(Cl)c2)o1 782852943 QYDYDGLHNOZPDY-LBPRGKRZSA-N 439.815 4.402 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)c1F 790550020 FILSRWQHFCYMIA-UHFFFAOYSA-N 439.487 4.086 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 791329348 MVIYGMSGZQLTFQ-UHFFFAOYSA-N 434.855 4.284 5 20 IIBD Cc1c([C@@H](C)NC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)oc2ccccc12 792627679 CCTOBNOQLVLDHV-KGLIPLIRSA-N 425.416 4.019 5 20 IIBD CC[C@H](c1ccncc1)N(CC)S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] 795853224 AAERZAZSOKDFTC-CQSZACIVSA-N 446.298 4.053 5 20 IIBD CC(C)(C)OC(=O)N1CC(CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 799356456 AUBDIHGPLGNLPQ-UHFFFAOYSA-N 443.525 4.343 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)C2CCN(C3CC3)CC2)c2ccccc2)c([N+](=O)[O-])c1 801872050 KZEJMASTNKXLAF-JOCHJYFZSA-N 437.496 4.001 5 20 IIBD CC[C@@H](C)c1nnc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1Cc1cccs1 802696145 HDRUKMHCBNHFRX-MRXNPFEDSA-N 426.546 4.136 5 20 IIBD CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C(=O)Nc2ccccc2Br)CC1 804407332 UBAGYWISDWSJAD-UHFFFAOYSA-N 446.301 4.415 5 20 IIBD COc1c([N+](=O)[O-])cc(NCc2nccn2-c2ccccc2)c([N+](=O)[O-])c1Br 808051829 IKPBJFKGKIGKOO-UHFFFAOYSA-N 448.233 4.072 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N(Cc2cccnc2)Cc2ccco2)c1Cl 809389596 LTXLRBSRLJUDRG-UHFFFAOYSA-N 442.280 4.281 5 20 IIBD O=[N+]([O-])c1cccc(CN(C2CC2)S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)c1 809828204 XTYKUIGUVYZHRX-UHFFFAOYSA-N 446.268 4.163 5 20 IIBD CC(C)(C)OC1CC(CCNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 809839803 OQONVNUSISCMOV-UHFFFAOYSA-N 425.334 4.164 5 20 IIBD CN(CC(=O)Nc1ccc(Br)cn1)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 809942526 KGIJHVUAWBOSMU-UHFFFAOYSA-N 448.104 4.130 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Br)C1CCC(OC[C@H]2CCCO2)CC1 815343316 PDTWANUVSOIDCI-QWFMPGPPSA-N 442.306 4.155 5 20 IIBD Cc1nc(C(C)C)ccc1C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 815350111 GMUPGKWCYNJSQY-UHFFFAOYSA-N 425.363 4.236 5 20 IIBD O=C(N[C@@H]1CCN(c2ccccc2F)C1)c1cc(Br)cc([N+](=O)[O-])c1Cl 817027603 PICVSIZCEHCNIG-LLVKDONJSA-N 442.672 4.159 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCCC(=O)Nc1cc(Cl)cc(Cl)c1 818877813 ZIQUYCZXEQESPP-UHFFFAOYSA-N 448.665 4.382 5 20 IIBD CS(C)(=O)=Nc1ccc(NCc2cc(I)cc([N+](=O)[O-])c2)cc1 864013202 MWCVJTHHOYPXSC-UHFFFAOYSA-N 445.282 4.171 5 20 IIBD O=C(COC(=O)COc1cccc([N+](=O)[O-])c1)Nc1cc(Cl)c(Cl)cc1Cl 914909316 IXYILHQSKBPUPH-UHFFFAOYSA-N 433.631 4.116 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)/C=C\c2ccccc2OC(F)(F)F)cccc1[N+](=O)[O-] 914942427 SWJOMPPNKPKQJY-OEYXZAGESA-N 438.358 4.385 5 20 IIBD Cc1ccc([C@H](C)N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c(C)c1 918194159 AXCJQGWSLSBGRJ-ZDUSSCGKSA-N 427.320 4.356 5 20 IIBD CCCCOc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1OC 918451019 XJQVDUVFTQZWDC-CYBMUJFWSA-N 449.891 4.252 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2F)cc1)c1cccc([N+](=O)[O-])c1 919679514 UGBLOPSPNNSWJF-UHFFFAOYSA-N 425.328 4.114 5 20 IIBD Cc1ccc(NC(=O)COC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 920122127 STMAGAIEXPSCHZ-INIZCTEOSA-N 434.452 4.267 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@H](N3[C@H](C)CC[C@H]3C)C2)CC1 920806640 ZIEGVROHUQHPQU-SBHAEUEKSA-N 428.577 4.309 5 20 IIBD Cc1nn(Cc2ccc(-c3nnc(-c4nnc(-c5ccccc5)o4)o3)cc2)c(C)c1[N+](=O)[O-] 1118148867 YLBGRFIQLCSDMP-UHFFFAOYSA-N 443.423 4.223 5 20 IIBD O=C(Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])c1cncc(OCC(F)F)c1 1320858313 LSDABMOCASGLER-UHFFFAOYSA-N 429.379 4.465 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc1 1322112447 WTVFJPKEIPDRRY-UHFFFAOYSA-N 435.392 4.460 5 20 IIBD C[C@H]1CN(C(=O)Cn2cc(NC(=O)c3c4ccccc4cc4ccccc34)cn2)C[C@H](C)O1 1323427508 JLDCNVXUMSJTDL-ROUUACIJSA-N 442.519 4.078 5 20 IIBD Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3cc(Br)cc([N+](=O)[O-])c3N)o2)cc1 1325183952 HXJQXZWAKKVXQW-SNVBAGLBSA-N 447.245 4.216 5 20 IIBD COc1cc(-c2nnc(Cn3c4ccccc4c(=O)c4ccccc43)o2)cc(OC)c1OC 1329042998 XMEAPIAHDGLKFX-UHFFFAOYSA-N 443.459 4.279 5 20 IIBD Cc1ccn(-c2cccc(C(=O)N3CCc4c(Br)ccc([N+](=O)[O-])c4C3)c2)n1 1341047967 BSSDFVNVBKNTQZ-UHFFFAOYSA-N 441.285 4.050 5 20 IIBD COc1ccc(NC(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c([N+](=O)[O-])c1 1347485209 WRDXARWUMRTYRU-HNNXBMFYSA-N 438.406 4.018 5 20 IIBD COc1cc(C(=O)Nc2ccc(C3(NC(=O)CC(C)C)CCC3)cc2)c([N+](=O)[O-])cc1O 1790082932 MPGSQQXPSUNOGJ-UHFFFAOYSA-N 441.484 4.103 5 20 IIBD CC1(C)CC(C(=O)NC2(c3ccc(NC(=O)c4ccc(O)c([N+](=O)[O-])c4)cc3)CCC2)C1 1790623507 OIRZDZLCWNTGMY-UHFFFAOYSA-N 437.496 4.484 5 20 IIBD CC(C)(C)OCC(=O)NC1(c2ccc(NC(=O)c3cccc(F)c3[N+](=O)[O-])cc2)CCC1 1790699781 LFAQXJXFGGKKGW-UHFFFAOYSA-N 443.475 4.297 5 20 IIBD C[C@@]1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4cc([N+](=O)[O-])ccc4s2)C3)CC1(F)F 1804153008 SZSGVNQUXJCRQQ-PSUSHLJKSA-N 449.479 4.107 5 20 IIBD Cc1c(Cl)cccc1C(=O)N1CCC2(CCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)CC1 1804641637 FCPCLALTWXWSSK-UHFFFAOYSA-N 445.903 4.308 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccsc2)[nH]n1)c1cc(F)cc([N+](=O)[O-])c1 1821164074 JUIAMZYPWCCHMC-KRWDZBQOSA-N 443.460 4.138 5 20 IIBD CC/C=C(\C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 1832697881 SBHLQFRKUBKOOA-FMDURADSSA-N 443.544 4.193 5 20 IIBD Cc1ccc(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc([N+](=O)[O-])o2)c2ccccc12 1847169447 OKJWQLOMRPITOY-SFTDATJTSA-N 447.491 4.098 5 20 IIBD COc1cc(NC(=O)C2CCCCC2)c(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1OC 10022060 UVWZNUWNGVGGQT-UHFFFAOYSA-N 442.468 4.488 5 20 IIBD COc1cccc([C@H]2CCCN2CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1 10225778 ORUGTSDOJBDHDY-GOSISDBHSA-N 434.290 4.142 5 20 IIBD Cc1cccc(-c2n[nH]c(=S)n2CC(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 10902626 DZFOAEHMCVYVBD-UHFFFAOYSA-N 431.905 4.136 5 20 IIBD COc1c(Br)cc(Cl)cc1NCC(=O)Nc1cc([N+](=O)[O-])ccc1C 10944812 ZCRGOEZOPJKEBL-UHFFFAOYSA-N 428.670 4.378 5 20 IIBD Cc1ccc(-c2noc(CN3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)n2)cc1 14329005 JFJRYOGXCXCQDM-UHFFFAOYSA-N 447.417 4.294 5 20 IIBD Cc1cc(C)c2nc(NC(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)sc2c1 14861815 SHILVAQTQXUPNB-UHFFFAOYSA-N 440.510 4.353 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)OCCOc2ccc(Br)cc2)cc1OC 18969145 GOXBPHNNFSREQR-UHFFFAOYSA-N 440.246 4.000 5 20 IIBD Cc1cc(C)c(-c2csc(NC(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)n2)c(C)c1 19622925 TZBIAKRLXZURMC-UHFFFAOYSA-N 438.465 4.190 5 20 IIBD C[C@@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N(C)Cc1c(F)cccc1Cl 22469860 RPCBIAIPWZSVRY-SNVBAGLBSA-N 429.231 4.245 5 20 IIBD O=C(OCc1cc(=O)oc2cc3c(cc12)CCC3)c1ccc(Br)c([N+](=O)[O-])c1 22671025 UKWPTUAJAOZCSQ-UHFFFAOYSA-N 444.237 4.309 5 20 IIBD O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 23412646 FFZMEFMBPCDLJP-UHFFFAOYSA-N 447.476 4.117 5 20 IIBD Cc1ccc(-c2nc(CC(=O)O[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)cs2)cc1 26735892 YOICSVUAPQBQMW-OAHLLOKOSA-N 439.493 4.448 5 20 IIBD CN(C(=O)COc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1)c1ccccc1 28609934 XLRCNSQWPYECOE-UHFFFAOYSA-N 430.416 4.410 5 20 IIBD COc1ccccc1N1C(=O)/C(=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)c2ccccc2C1=O 28621577 DEGLUNZWSYSOSF-BOPFTXTBSA-N 446.415 4.045 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@@H](c3ccccc3)c3ccncc3)cc2)c(C)c1[N+](=O)[O-] 60957549 CNMIYJAMDVXXHA-QHCPKHFHSA-N 441.491 4.371 5 20 IIBD O=C(NCc1ccc(Br)cc1Cl)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 109253587 QTQCAKFOJVNHID-UHFFFAOYSA-N 435.665 4.126 5 20 IIBD CCOc1cc(CN(C)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)ccc1OC(F)F 109275243 IQGKHSTXMKDGSR-UHFFFAOYSA-N 446.410 4.053 5 20 IIBD CCc1cc(N(CC)CC(=O)Nc2ccccc2OC)nc(-c2ccc([N+](=O)[O-])cc2)n1 109866864 SQVVFYWYIIBABP-UHFFFAOYSA-N 435.484 4.088 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(Cc1cccs1)Cc1cccs1 110483883 VNEMIESKBLONEY-AWEZNQCLSA-N 429.523 4.065 5 20 IIBD COc1cc(C(=O)N[C@@H]2CCSc3c(F)cccc32)c([N+](=O)[O-])cc1OC(F)F 115378654 JNZQBSNJYXZBOO-GFCCVEGCSA-N 428.388 4.311 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC=C(c3c(C)[nH]c4ccccc34)CC2)cc1C 195673116 ZUXSTZLJGZUINR-UHFFFAOYSA-N 425.510 4.479 5 20 IIBD O=C([C@H](Cc1ccccc1)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCCC1 237989210 ILBUVLQCLNUYIN-NRFANRHFSA-N 436.537 4.042 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCCCc3nc4ccccc4[nH]3)cc2[N+](=O)[O-])C1 302898850 MMRCRFUAEZCEPF-IRXDYDNUSA-N 435.528 4.316 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@H]1CCOc2c(F)cccc21 409869631 QQYRBTVABUGCKB-AWEZNQCLSA-N 427.354 4.195 5 20 IIBD O=C(O)[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1cccc(OCc2ccccc2)c1 426741183 DJLFQGWITRNULE-XMMPIXPASA-N 445.475 4.441 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)Cc2cn3c(n2)CCCC3)c([N+](=O)[O-])c1 429552433 ABOPJBXHINZEJY-QHCPKHFHSA-N 433.512 4.248 5 20 IIBD CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H](c1cccc(F)c1)c1cnn(C)c1 431511131 WQSZYKXFIURVDQ-SFHVURJKSA-N 447.264 4.092 5 20 IIBD CN(C)CCOc1cccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 436253450 PPWLJUVSFFMVOD-UHFFFAOYSA-N 437.446 4.152 5 20 IIBD O=C(Nc1cccc(I)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437533936 GLINXQWMHSEYNB-UHFFFAOYSA-N 437.237 4.396 5 20 IIBD COc1ccc(CSCC(=O)Nc2c(F)cccc2Br)cc1[N+](=O)[O-] 438431186 HRWWAEZZMOQVSY-UHFFFAOYSA-N 429.267 4.377 5 20 IIBD Cc1cccnc1[C@H](NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)C(C)C 439239717 SXNCAZSZDRGKON-MRXNPFEDSA-N 442.335 4.045 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](c1c[nH]c2ccccc12)C(F)(F)F 443452296 HJKGXJXZJDOFBU-QGZVFWFLSA-N 427.404 4.220 5 20 IIBD CCO[C@@H]1C[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@H]1Oc1ccccc1 444342584 XSFMLJTWIOTQBL-VDKIKQQVSA-N 428.488 4.036 5 20 IIBD CC(C)[C@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 445247920 INRBWYVPPYYZNP-HNNXBMFYSA-N 441.303 4.317 5 20 IIBD C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCN1Cc1ccccc1 446244916 DIHXYGFEGJHTOS-INIZCTEOSA-N 446.345 4.023 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1C 446479245 DVCRVCZWQGGMCZ-UHFFFAOYSA-N 435.278 4.077 5 20 IIBD CCOc1cc(C(=O)N[C@H]2CCCC[C@H]2Oc2ccccc2C)c([N+](=O)[O-])cc1OC 448182421 XUXHTBAJBHYYPW-FXAWDEMLSA-N 428.485 4.431 5 20 IIBD O=C(C[C@H]1CCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccc(F)cc1 448434774 IAVDAMXEYKNGRZ-MRXNPFEDSA-N 435.249 4.374 5 20 IIBD CCC[C@H](C)N(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)c1nc(C)c(C(=O)OCC)s1 460114878 LKOCDLRYHRSYMR-LBPRGKRZSA-N 435.502 4.380 5 20 IIBD C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccc(-c2ccncc2)cc1 464201509 XBHSBOPLUSRYII-HNNXBMFYSA-N 434.477 4.245 5 20 IIBD O=C(c1ccc(OCc2ccccn2)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464637533 NVPUEQYYEDFVHB-UHFFFAOYSA-N 433.464 4.252 5 20 IIBD CC(=O)NC[C@H]1CCCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 467427010 DBMSAHCVZWQFGB-OAHLLOKOSA-N 447.944 4.388 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1 468640943 JUMKAHBWXNRPIQ-LJQANCHMSA-N 427.819 4.232 5 20 IIBD COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1cccc([N+](=O)[O-])c1N)CC2 468730632 WEODMEONSVJGOM-NRFANRHFSA-N 439.493 4.044 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CC[C@H](C)[C@H](n3ccnc3)C2)cc1[N+](=O)[O-])c1ccccn1 469387175 XMEUKFJQZWCUAX-PNLZDCPESA-N 434.500 4.083 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N[C@@H]1CCCC[C@@H]1n1cccn1 470874537 RWDQTZYAMDFHIV-QUCCMNQESA-N 441.513 4.188 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1I 471094562 GQFLAUSRANZCBX-UHFFFAOYSA-N 447.026 4.214 5 20 IIBD COC1(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CCC(C)CC1 477326974 PGPMQJSMFLPWBO-WCCYLALTSA-N 426.517 4.488 5 20 IIBD COc1cc(C(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)cc([N+](=O)[O-])c1C 477692924 SQQFFEVCUHVFTN-UHFFFAOYSA-N 437.427 4.233 5 20 IIBD CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)c1cc(C)ccc1[N+](=O)[O-] 478976828 OYKZAERIHZUVRW-QGZVFWFLSA-N 435.318 4.433 5 20 IIBD COC(=O)[C@@](C)(NCc1cc(OC)c(F)cc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 481627368 RZTCFZKNBORTEK-SFHVURJKSA-N 431.247 4.227 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NC3CCN(C4CCCC4)CC3)cc2[N+](=O)[O-])C1 482639949 SRERPYGIAHKVAA-HDICACEKSA-N 428.577 4.214 5 20 IIBD O=C([C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1CCC[C@@H](c2ccc(F)cc2)CC1 484031104 FCCWWKHNWUCAQX-QAPCUYQASA-N 445.516 4.196 5 20 IIBD Cc1ccc(C(=O)N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCC(C)C)CC2)s1 484358868 ARLGNANRXAMRQS-UHFFFAOYSA-N 447.582 4.311 5 20 IIBD Cn1cc(C(=O)Nc2ccc(OC(F)F)c3cccnc23)c(-c2ccc([N+](=O)[O-])cc2)n1 484390747 CXKFYWPJUCAYNE-UHFFFAOYSA-N 439.378 4.397 5 20 IIBD Cc1cc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])n(C2CCN(C)CC2)n1 486197676 ZBHNFBQUTRUNDB-UHFFFAOYSA-N 449.511 4.198 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(Oc2ccc3c[nH]nc3c2)c([N+](=O)[O-])c1 486561560 LFAXHWYLKWVECH-UHFFFAOYSA-N 438.465 4.479 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(-c3cccc(Cl)c3)on2)c2ncccc12 486576880 RLRKRJYQWWWBAA-UHFFFAOYSA-N 430.829 4.252 5 20 IIBD COC(=O)c1cc(NC(=O)N(C)Cc2ccc(SC)c(OC)c2)c(C)c([N+](=O)[O-])c1 486860821 WMYCWHFUSRUCIO-UHFFFAOYSA-N 433.486 4.084 5 20 IIBD O=[N+]([O-])c1cccc(CN(Cc2nc(Cc3cccc(Br)c3)no2)C2CC2)c1 490044381 RIGKNJBIUCDLLY-UHFFFAOYSA-N 443.301 4.496 5 20 IIBD COc1cc([C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2C)C(F)(F)F)cc(OC)c1OC 491364692 ALWPVCHHJMPUGU-QGZVFWFLSA-N 443.378 4.354 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 492877850 MYQGNBWHFRNVCQ-LSDHHAIUSA-N 437.949 4.105 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCc2sccc2[C@@H]1c1cccs1 500832885 YNFLOPPZFVNIGT-LJQANCHMSA-N 434.564 4.238 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@@H]1c1cccc(Br)c1 503488871 ACJFRFLVVYCNRH-QGZVFWFLSA-N 446.301 4.492 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(C(=O)NC2CCCCC2)CC1 505792907 NCPNFAWXOFTEOY-UHFFFAOYSA-N 448.589 4.333 5 20 IIBD COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)s2)cc1 505805279 NULRUFREONAZTL-SNVBAGLBSA-N 430.461 4.248 5 20 IIBD CC[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 506939005 HHOZSOQZQOJXRU-QGZVFWFLSA-N 443.500 4.116 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@H](C)N2CCCC[C@H]2C)cc1[N+](=O)[O-])c1ccccn1 507067783 QYLZQDBFUWCTMG-SQNIBIBYSA-N 425.533 4.156 5 20 IIBD CN(c1ccccc1)c1ccc(CN[C@@H]2CCN(Cc3ccccc3)C2=O)cc1[N+](=O)[O-] 507951748 BYXYCAMLVPEPMK-JOCHJYFZSA-N 430.508 4.253 5 20 IIBD Cc1c(Br)cc(C(=O)N(C)Cc2cc(Br)cn2C)cc1[N+](=O)[O-] 510024048 RAJRKGJKMOUXGZ-UHFFFAOYSA-N 445.111 4.039 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(SCc2ccccc2)cn1 513788243 NKVASNGLZSQGFO-UHFFFAOYSA-N 431.495 4.092 5 20 IIBD CN(CC(=O)Nc1ccc(Br)cn1)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 514099619 PGBRKUFPKWTMKB-UHFFFAOYSA-N 445.273 4.083 5 20 IIBD CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 514648316 TXODKWUMNNMNCP-CQSZACIVSA-N 439.468 4.220 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCCOCC(F)(F)F)c([N+](=O)[O-])c2)c(C)c1 514777655 NILPKYXNPTYQJW-UHFFFAOYSA-N 447.435 4.003 5 20 IIBD O=C(NCc1cccs1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 517501164 AMPLLYKYLVDAFU-UHFFFAOYSA-N 442.566 4.412 5 20 IIBD C[C@@H]1CCCCN1Cc1ccccc1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 517909557 BQWJFCXSWCDJSR-OAHLLOKOSA-N 437.949 4.101 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 518552262 AMMJWYKXOZWCOS-UHFFFAOYSA-N 445.809 4.371 5 20 IIBD CN(C)c1ccc2cc(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])ccc2n1 520262345 NDVFMCIJFASIMS-UHFFFAOYSA-N 434.374 4.402 5 20 IIBD O=c1c(Cl)c(NCCc2ccc(OC(F)F)cc2)cnn1-c1ccc([N+](=O)[O-])cc1 523298772 FLPHVNIUMQTHDC-UHFFFAOYSA-N 436.802 4.050 5 20 IIBD O=C(c1ccc([N+](=O)[O-])[nH]1)N(Cc1ccccn1)Cc1ccc(Br)cc1F 524409801 OMEYARGKTSQXDO-UHFFFAOYSA-N 433.237 4.062 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1cc(F)ccc1O 531135521 XWLZSUCTYJCNOF-UHFFFAOYSA-N 432.411 4.473 5 20 IIBD CCN(CC)C(=O)Nc1ccc([C@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1 532398517 DUOLRBOSABOGRC-INIZCTEOSA-N 448.545 4.125 5 20 IIBD CC[C@@H](C)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1nc(O)c2ccccc2n1 532706912 DWKCHYFBRPPHIQ-CYBMUJFWSA-N 443.891 4.136 5 20 IIBD CC[C@H](C)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1nc(O)c2ccccc2n1 532706913 DWKCHYFBRPPHIQ-ZDUSSCGKSA-N 443.891 4.136 5 20 IIBD CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H](c1ccc(C)cc1)n1cncn1 533754804 LFXLYAURYZWBPC-MOPGFXCFSA-N 447.417 4.312 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 535446263 LOSSYTWHUGFVRS-WJOKGBTCSA-N 437.521 4.408 5 20 IIBD O=C(Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O)Nc1cc(Cl)c(Cl)cc1Cl 535892108 LAPKUXMMEWXYMJ-UHFFFAOYSA-N 443.630 4.010 5 20 IIBD Cc1nnc(SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)n1[C@H]1CCC[C@H](C)C1 536088997 KRIRKFKZEQDBNG-ZFWWWQNUSA-N 431.518 4.336 5 20 IIBD O=C(NCCCNc1ncnc2ccc([N+](=O)[O-])cc12)c1sccc1-c1ccccc1 538002273 JGPQDTVDPBQCPM-UHFFFAOYSA-N 433.493 4.499 5 20 IIBD COc1cccc([C@H](C)N[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 538128675 FGLKMVJFBPHLTC-KBPBESRZSA-N 426.498 4.405 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCOc2cc(F)ccc21 538590762 SEBXKTGWTABRIV-QGZVFWFLSA-N 448.472 4.033 5 20 IIBD CCCc1c(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cnn1-c1ccccc1 541188971 TWPBTIXYEFJSPR-UHFFFAOYSA-N 434.500 4.087 5 20 IIBD Cc1c(NC(=O)[C@@H](C)N[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)cccc1[N+](=O)[O-] 541614287 MFXDZNWDMRFGDM-LSDHHAIUSA-N 425.464 4.214 5 20 IIBD Cc1csc([C@H](C)CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1 541753046 FBQUUYJFQGDWLL-HIFRSBDPSA-N 425.514 4.461 5 20 IIBD Cc1c(NC(=O)[C@@H](C)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cccc1[N+](=O)[O-] 542016411 BZVRWFWPNZLUQQ-AUUYWEPGSA-N 437.418 4.323 5 20 IIBD O=C(c1cccc(F)c1Sc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 542824366 DMNYFGDWJGYIOU-UHFFFAOYSA-N 438.484 4.243 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 542988631 NZTGYFYULZCGBB-LBPRGKRZSA-N 436.312 4.306 5 20 IIBD CCc1ccc([C@H](COC)N[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)o1 543484995 IKUWZFLEHVYNCN-GUYCJALGSA-N 444.513 4.178 5 20 IIBD CS(=O)(=O)c1cccc(N2CCC(c3cccc(Br)c3)CC2)c1[N+](=O)[O-] 543994498 PKDSROSWGKLKFI-UHFFFAOYSA-N 439.331 4.145 5 20 IIBD O=[N+]([O-])c1cc(I)cc(-c2nc([C@H]3CCOc4ccccc43)no2)c1 544724154 WPLDGXLHTVUNGA-AWEZNQCLSA-N 449.204 4.164 5 20 IIBD Cc1ccc(-c2noc([C@H](C)NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)n2)cc1F 545121367 OTEZUMXJDVKKJN-LBPRGKRZSA-N 430.411 4.386 5 20 IIBD COC(=O)CCc1c(C)nn(-c2ccc(-c3nc(-c4ccc([N+](=O)[O-])cc4)no3)cc2)c1C 545551792 ZJBAJGVHCGPZLZ-UHFFFAOYSA-N 447.451 4.220 5 20 IIBD Cc1ccc(NCCCNC(=O)C2(Cc3cccc(F)c3)CCOCC2)c([N+](=O)[O-])c1 556293510 RUPXJAMYPFGBMO-UHFFFAOYSA-N 429.492 4.000 5 20 IIBD O=C(Nc1cccnc1)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 556339813 IHBCMVKNWRBEIE-UHFFFAOYSA-N 444.369 4.191 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 557372963 JPWHPIOFCIBZTH-INIZCTEOSA-N 449.287 4.111 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)cc1 557643717 LESABAYYHDGNEA-FUHWJXTLSA-N 425.485 4.095 5 20 IIBD O=C(Nc1cc(F)c(F)cc1N1CCCCC1)N1CCOc2ccc([N+](=O)[O-])cc2C1 561402641 CCKSISWWAFVZGC-UHFFFAOYSA-N 432.427 4.290 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)c1Br 563261744 HYTBNGLQTRYIDW-DGCLKSJQSA-N 438.282 4.027 5 20 IIBD CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 569816879 BOJZRJTWDWRHFA-HXUWFJFHSA-N 445.947 4.085 5 20 IIBD O=[N+]([O-])c1ccccc1Cc1noc([C@H]2CCO[C@@H]2c2ccnn2Cc2ccccc2)n1 570125486 MFTXTNKDBQAIDI-AVRDEDQJSA-N 431.452 4.059 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2ccn(C(C)C)n2)c([N+](=O)[O-])c1 571840980 BPMOMXIMSHSZAE-UHFFFAOYSA-N 443.529 4.200 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])[C@H](OC1CCOCC1)c1ccccc1 573029907 PJQKTZKVMMLAOU-MWTRTKDXSA-N 439.512 4.224 5 20 IIBD Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 583233237 ANPTXSVVHTWMTM-UHFFFAOYSA-N 433.877 4.137 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3C[C@@]4(CCCO4)[C@H]3C3CC3)cc2[N+](=O)[O-])n1 590531971 MDNOFCJUBROCEC-XLIONFOSSA-N 431.539 4.295 5 20 IIBD O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1cc2c(cc1[N+](=O)[O-])OCO2 603941098 LDTOJVGUKBPJGS-GOSISDBHSA-N 429.432 4.367 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604102839 ZYKZAFBPBKSHJW-GDNZZTSVSA-N 443.344 4.312 5 20 IIBD COc1cc(OC)cc([C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2nccn2C)c1 608835632 DVABFSOIWYGEEG-QHCPKHFHSA-N 448.479 4.485 5 20 IIBD O=C(NCCC(=O)N1CCCC[C@H]1c1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 608945418 MIOKSCJCCOEFAQ-IBGZPJMESA-N 449.429 4.487 5 20 IIBD O=C(Nc1nnc(-c2ccccc2Cl)s1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609550353 ULHASFUFTNUILC-UHFFFAOYSA-N 427.829 4.273 5 20 IIBD Cc1cc(S(=O)(=O)Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)ccc1[N+](=O)[O-] 609705747 FPNIZFOFJZVKCS-LJAQVGFWSA-N 444.534 4.153 5 20 IIBD COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 609995885 OIIUAQUJAQMHQC-AUUYWEPGSA-N 447.919 4.279 5 20 IIBD Cc1cc(=O)c(C(=O)N(CC2CCC2)[C@H](C)c2ccccc2)nn1-c1ccccc1[N+](=O)[O-] 610122502 LHBFJTBEKRGYGG-GOSISDBHSA-N 446.507 4.453 5 20 IIBD CC(C)c1cc(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)on1 610937870 OYZRKWYXTHROJF-UHFFFAOYSA-N 446.510 4.174 5 20 IIBD COc1cc(C(=O)N2CCC(C)(C(=O)O)CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 611478120 GZESCBBUIVROKJ-UHFFFAOYSA-N 448.859 4.376 5 20 IIBD O=C(c1ccc(I)c([N+](=O)[O-])c1)N(C1CC1)[C@H]1CCc2ccccc21 728152819 VIXVCLJKSPSJMD-KRWDZBQOSA-N 448.260 4.492 5 20 IIBD CCCNC(=O)c1ccc(Cl)cc1NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] 728468580 HGAQBDJQQCQWIE-UHFFFAOYSA-N 437.905 4.371 5 20 IIBD O=C(OCCCOc1ccc([N+](=O)[O-])cc1)c1cnc(-c2ccc3c(c2)OCO3)s1 728663794 KAGAZHPPGIMICN-UHFFFAOYSA-N 428.422 4.073 5 20 IIBD Cn1c(C(=O)OC[C@@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])c(Cl)c2ccccc21 730704269 RXRVGOSLUUIUBJ-AWEZNQCLSA-N 441.871 4.202 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CC1CCC(c2ccccc2)CC1 731098055 NLRHYFVXHGQLPO-UHFFFAOYSA-N 426.469 4.449 5 20 IIBD Cc1ccc(N2C(=O)/C(=C/NCCOc3ccc([N+](=O)[O-])cc3)c3ccccc3C2=O)cc1 731595618 XCGGJXVJBFHKTE-XQNSMLJCSA-N 443.459 4.100 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H]2CCCN(C(=O)c3ccccc3Cl)C2)c1 732609263 AJORWSVTWWMXFB-CYBMUJFWSA-N 434.901 4.432 5 20 IIBD COCc1cccc(OC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])c1 733074580 UHIDNZQOCNJOEE-UHFFFAOYSA-N 430.438 4.005 5 20 IIBD Cc1ccccc1COc1cccc(CC(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])c1 733548645 PPDNEWLKHKHETQ-UHFFFAOYSA-N 434.448 4.207 5 20 IIBD CN1C(=O)CC[C@H](C(=O)OCc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(C(F)(F)F)cc1 734639467 MWJHXUCDTWSJNY-QFBILLFUSA-N 436.386 4.267 5 20 IIBD C[C@H]1Sc2ccc(C(=O)OCc3cnc(-c4ccc([N+](=O)[O-])cc4)o3)cc2NC1=O 735442363 JITLGHBNISBJKH-LLVKDONJSA-N 425.422 4.040 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N2C[C@H](C)CCC[C@@H]2C)cc1 741609245 ABIOUJHIEPSJSP-WBVHZDCISA-N 446.525 4.322 5 20 IIBD CCOC(=O)c1cc(F)c(F)cc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 741624280 HSHHJCCKQXIKEG-UHFFFAOYSA-N 429.173 4.065 5 20 IIBD CC(C)n1c(S)nnc1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 742651049 ZHLBSFKFJPPDCG-UHFFFAOYSA-N 443.451 4.095 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Oc2cccc(-c3nc(C)cc(O)n3)c2)cc1SC 744218846 UVGSMSFUSPXXTN-UHFFFAOYSA-N 427.438 4.016 5 20 IIBD CCc1ccc(C(=O)Nc2nc(C)c(-c3nnc(S)n3C3CC3)s2)cc1[N+](=O)[O-] 746589829 RXTUBZZQHXHHQK-UHFFFAOYSA-N 430.515 4.057 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)cc2)c(C)c1[N+](=O)[O-] 747098524 WIDSWKQBDRYKNH-UHFFFAOYSA-N 449.467 4.169 5 20 IIBD Cc1c(COC(C)(C)C)cccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 747347326 XQWOPPGUPLNIHZ-UHFFFAOYSA-N 427.501 4.307 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 748529792 QFAJICGNIGKBJO-MSOLQXFVSA-N 442.516 4.470 5 20 IIBD CC(C)(C)C(=O)c1ccc(S(=O)(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 749181443 LRKWGHBNMPVPOD-UHFFFAOYSA-N 446.525 4.056 5 20 IIBD C[C@@H]1CN(c2ccc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])cc2)C[C@@H](C)O1 750822626 UVRDBXWZBVOJPD-CHWSQXEVSA-N 434.290 4.223 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N(C2CC2)C2CCN(C(=O)OC(C)(C)C)CC2)c1 751105544 NFPNHIMLDMWGHV-UHFFFAOYSA-N 435.546 4.321 5 20 IIBD CN(Cc1cc(Br)ccc1Cl)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 755478922 XRAGWGKYDNJJFA-UHFFFAOYSA-N 437.681 4.019 5 20 IIBD CCOc1cc(COC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)ccc1[N+](=O)[O-] 755530241 PHCDQNMJXMKXKH-UHFFFAOYSA-N 429.410 4.382 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)cc1[N+](=O)[O-] 755867563 SINOOUPKACKAMP-UHFFFAOYSA-N 444.444 4.131 5 20 IIBD CCC(=O)c1cc(C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1F 757864362 YQQQATHXMVQDQA-UHFFFAOYSA-N 442.321 4.141 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 758088406 YIYIMFSYEPDBOS-ZETCQYMHSA-N 449.744 4.172 5 20 IIBD COc1cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)ccc1Cl 758805908 PTSWYHJVWQCNIB-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD Cc1ccc(C(=O)O[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1NC(=O)NC(C)(C)C 759928106 GPONIQDDBBTDBR-MSOLQXFVSA-N 443.504 4.360 5 20 IIBD O=C(Nc1ccccc1)Nc1ccc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 762248009 UAHMMELHXGBCIL-UHFFFAOYSA-N 449.419 4.462 5 20 IIBD O=C(Nc1cc(F)c(I)c(F)c1)c1cc(F)c([N+](=O)[O-])cc1F 763432688 ZXTCWOWDYLIAQF-UHFFFAOYSA-N 440.090 4.008 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(C(=O)Oc2ccccc2)CC1 764091948 ULBHODYCVMNLPH-UHFFFAOYSA-N 429.498 4.054 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)Nc2nccn2Cc2ccc(Br)cc2)c1F 764606677 KVOIKJOEVQSYMA-UHFFFAOYSA-N 433.237 4.302 5 20 IIBD COc1cc(CNC[C@](C)(O)c2ccccc2Cl)c([N+](=O)[O-])cc1OCC(F)(F)F 764981980 XVRPFBPXBGFZTF-SFHVURJKSA-N 448.825 4.195 5 20 IIBD Cc1nc(-c2ccc(S(=O)(=O)NCc3cc([N+](=O)[O-])ccc3Cl)s2)cs1 765209150 RGQHVVFDKVXZHI-UHFFFAOYSA-N 429.932 4.220 5 20 IIBD C[C@@H]1CCC[C@H](OCCCCCC(=O)NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 766616128 ZFFVIVUXRKUAKS-CABCVRRESA-N 446.953 4.209 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)cs1 768888875 XMGDDVJQNWDYEL-ZDUSSCGKSA-N 439.515 4.275 5 20 IIBD CCC(CC)n1nccc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 770195540 VFUXIAVBHDEGMI-LLVKDONJSA-N 442.394 4.355 5 20 IIBD Cc1cc2c(N3CCC[C@H]3C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)ncnc2s1 770478506 ZKFIBLSBFQDWLB-KRWDZBQOSA-N 445.932 4.189 5 20 IIBD COc1cc(CNc2ccc(OCc3noc(C4CC4)n3)cc2)c([N+](=O)[O-])cc1OC 770570419 HNICIOCMGCBZEU-UHFFFAOYSA-N 426.429 4.064 5 20 IIBD CN(C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 771763080 BIUZQVXVJKXIPJ-LBPRGKRZSA-N 432.399 4.087 5 20 IIBD Cc1cc(S(=O)(=O)Oc2ccc(NC(=O)OC(C)(C)C)cc2)cc([N+](=O)[O-])c1F 771770033 BFXTXBOFVHSYTH-UHFFFAOYSA-N 426.422 4.157 5 20 IIBD Cc1csc(Sc2ccc(C(=O)OCC(=O)c3c(C)noc3C)cc2[N+](=O)[O-])n1 771890718 HGMUIBBAPGBORR-UHFFFAOYSA-N 433.467 4.155 5 20 IIBD Cc1nc(NCc2ccc([C@@H](C)O)cc2)nc(NCc2ccc([C@H](C)O)cc2)c1[N+](=O)[O-] 774526694 RJVCBGAHIHSMTF-JKSUJKDBSA-N 437.500 4.024 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NOC1CCOCC1 775242072 XYHGFKBMKGOTDD-SSZFMOIBSA-N 439.493 4.362 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 775483367 JWCVTBHAWXQQPP-HNNXBMFYSA-N 437.562 4.472 5 20 IIBD O=C(O)C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1ccc(Cl)cc1 776667276 UJZXQGAHWLZSQI-LBPRGKRZSA-N 445.628 4.096 5 20 IIBD C[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 780545699 STJCZFILEPIQAI-FUHWJXTLSA-N 449.551 4.447 5 20 IIBD Cc1c(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cccc1OCC(F)(F)F 784218793 MHUULUGGKZDVNY-UHFFFAOYSA-N 431.754 4.075 5 20 IIBD O=C(NCc1nc(-c2ccccc2F)cs1)c1cc([N+](=O)[O-])ccc1N1CCCC1 787843563 MIVHWMDWEKDEEF-UHFFFAOYSA-N 426.473 4.388 5 20 IIBD COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1cc(C)c([N+](=O)[O-])cc1C 788845494 FKIPFKOPHIWPPR-UHFFFAOYSA-N 449.710 4.437 5 20 IIBD O=C(NCCc1cccc(OCC(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 794346286 IFSVTYKXLNXHKC-UHFFFAOYSA-N 437.418 4.109 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN(Cc3ccccc3)C[C@@H](O)c3ccccc3)o2)cc1 796362457 WJBMRZZHZZKMOF-JOCHJYFZSA-N 430.464 4.381 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NC[C@@H](c2ccccc2Cl)N2CCCC2)c1[N+](=O)[O-] 796449637 JVOFLROZRUEDLJ-SFHVURJKSA-N 434.880 4.206 5 20 IIBD COc1ccc(/C=C\C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 798142703 VTRZDUOXFZEKPR-DUWGPSABSA-N 438.358 4.206 5 20 IIBD Cc1sc(Br)c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1C 799544363 NLOAEXQXJGNWGZ-SECBINFHSA-N 427.276 4.220 5 20 IIBD CCN(CC(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1Cl 800268944 DLPVPLPJBBCJTQ-CQSZACIVSA-N 444.875 4.425 5 20 IIBD O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 801246578 WAVGGOABJSMXKB-UHFFFAOYSA-N 449.385 4.099 5 20 IIBD Cc1c(C(=O)NCc2ccncc2OCc2ccccc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 804149045 UIOJUCFPFLDSMB-UHFFFAOYSA-N 436.424 4.024 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@@H](NCc1ccccc1)c1ccco1 804270584 AUUPCUIGBGTWPE-GOSISDBHSA-N 431.851 4.170 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1 808070770 ZAVREHFXIRTWES-UHFFFAOYSA-N 442.415 4.127 5 20 IIBD Cc1cc(O)nc2cc(C(=O)N3CCc4c(Br)ccc([N+](=O)[O-])c4C3)ccc12 808814334 QQJZKEGRXPARGX-UHFFFAOYSA-N 442.269 4.118 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H](C)c1ccc(S[C@@H]2CCCCNC2=O)cc1 809045970 JSUMDKLNHNSSQV-VBKZILBWSA-N 444.509 4.282 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)n1 809402579 CKVTWFUJPMGIHF-GOSISDBHSA-N 442.394 4.394 5 20 IIBD CCOc1ccc([C@H](O)C2CCN(C(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)CC2)cc1 812674005 QPEDNTQHDICWPI-QRQCRPRQSA-N 430.476 4.208 5 20 IIBD CCOc1ccc([C@H](O)C2CCN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)CC2)cc1 812891396 MXHICUINUHCLNR-NRFANRHFSA-N 447.919 4.302 5 20 IIBD C[C@@H](C(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1cccc(Br)c1 813064223 DJAAVYNXJUKSGG-CQSZACIVSA-N 448.317 4.316 5 20 IIBD COc1cc(N2CCN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC2)ccc1F 813247269 QJIUGMJJIIPIEG-UHFFFAOYSA-N 428.247 4.012 5 20 IIBD O=C(c1ccc(F)cc1)N1CCCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 813405102 KZNQZLAGGNSEGF-UHFFFAOYSA-N 440.258 4.029 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 814141202 NXQOETGHPQGNFW-MJGOQNOKSA-N 431.533 4.069 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[C@H](Cc2ccc(Br)cc2)C1 814375255 DDYRWGSVWRANRJ-OAHLLOKOSA-N 446.301 4.383 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1cn2cc(Br)ncc2n1 816306836 HGQUXZGIDCBVTJ-UHFFFAOYSA-N 436.291 4.153 5 20 IIBD COc1ccc([C@@H](C)NC(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)cc1Br 854300878 CJIDXNSACNOIKB-SECBINFHSA-N 429.217 4.444 5 20 IIBD COc1cc(-c2nc(-c3ccc(N4CCCCC4)nc3)no2)c([N+](=O)[O-])cc1OC(F)F 904429645 BKIQEWMZTRNABS-UHFFFAOYSA-N 447.398 4.307 5 20 IIBD C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 914494274 NYWYQAJPZWNNFH-INIZCTEOSA-N 425.485 4.065 5 20 IIBD COc1cc2c(cc1NC(=O)Cn1c(=O)oc3ccc([N+](=O)[O-])cc31)oc1ccccc12 914785754 IEZBUEUORSQTQT-UHFFFAOYSA-N 433.376 4.049 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)NC2CCCCCC2)cc1 915249023 CPNIGKIZFLERNS-UHFFFAOYSA-N 442.468 4.392 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1cccc(N2CCOC2=O)c1 915834148 WFLZTGMCWJPRMO-UHFFFAOYSA-N 431.404 4.035 5 20 IIBD O=C(NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1sc2cc(Cl)ccc2c1Cl 916785182 TZLYJINQOKFQSK-UHFFFAOYSA-N 445.305 4.376 5 20 IIBD CN(CC(=O)N(C)Cc1cc(Br)cs1)Cc1cc([N+](=O)[O-])ccc1Cl 917074840 YOPPWLWJSAOMMC-UHFFFAOYSA-N 446.754 4.163 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)OCC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 918862098 XVCUYPJFTLMICW-JBDIQEJZSA-N 442.471 4.326 5 20 IIBD C[C@H](NC(=O)COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 918863487 WXQQJVHHGDVHDU-JTQLQIEISA-N 446.765 4.181 5 20 IIBD CC(=O)NCCCOC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 920490207 IITFHTYIKCGDOG-UHFFFAOYSA-N 442.415 4.448 5 20 IIBD CS(=O)(=O)c1cc(C(=O)OCc2ccccc2Oc2ccccc2)cc([N+](=O)[O-])c1 920704354 ONQCTTBRQWYJFS-UHFFFAOYSA-N 427.434 4.148 5 20 IIBD C[C@@H](OC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)C(=O)NCc1ccco1 1116300619 CVMXVHAWRNJCFN-CQSZACIVSA-N 426.450 4.201 5 20 IIBD C[C@@H]1CCC[C@H](OCCCCCC(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C1 1116428683 DUBLPKFCSIAERC-OFNKIYASSA-N 431.577 4.395 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCCN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)C2)CC1 1116691897 PAUKFVMQTHUYCP-YFHOEESVSA-N 429.517 4.248 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3cc(N4CCOC4=O)ccc3F)cc2[N+](=O)[O-])CC1 1317973421 NODSPJUZDKOULM-UHFFFAOYSA-N 442.447 4.179 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)Cc1ccc(Br)cc1F 1318216912 VQYVSXBCHXBPIU-UHFFFAOYSA-N 445.310 4.237 5 20 IIBD Nc1c(C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)cc(Br)cc1[N+](=O)[O-] 1321258688 SWHKDENTYNODLK-UHFFFAOYSA-N 444.245 4.119 5 20 IIBD Cc1cc(=O)c(-c2nc(Cc3ccc(C(C)(C)C)cc3)no2)nn1-c1ccccc1[N+](=O)[O-] 1323890949 KRCHCWWGIMDZME-UHFFFAOYSA-N 445.479 4.387 5 20 IIBD O=C(NCc1cccc(C(F)F)c1)c1ccc(I)c([N+](=O)[O-])c1 1324316708 QLWIDXPKZURSGC-UHFFFAOYSA-N 432.164 4.067 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)CCc4cccc([N+](=O)[O-])c4)cc3)CCC2)no1 1786602582 UWLVMFGSDVNSMG-UHFFFAOYSA-N 448.479 4.272 5 20 IIBD Cc1cccc(/C=C/C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])[nH]4)cc3)CCC2)n1 1790183684 MIEQZLUVRHUXTH-JLHYYAGUSA-N 445.479 4.087 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)CCC1)C1=COCCC1 1790624297 KIASGHRSQKBNNL-UHFFFAOYSA-N 439.443 4.176 5 20 IIBD C[C@H]1C[C@]1(C)C(=O)NC1(c2ccc(NC(=O)Cc3cc(F)ccc3[N+](=O)[O-])cc2)CCC1 1792310283 YBSGEXQSYUHWAJ-WNSKOXEYSA-N 439.487 4.457 5 20 IIBD Cc1csc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CSc2ccccc2[N+](=O)[O-])c1 1802181425 WHUHCJNXZKLRFP-MUJYYYPQSA-N 445.566 4.009 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2)[nH]n1)c1ccc([N+](=O)[O-])o1 1814311809 QTDGLWLUEDQUMR-OAHLLOKOSA-N 443.847 4.184 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)C2CCCCC2)[nH]n1)c1cc(F)cc([N+](=O)[O-])c1 1821163604 AXIMXGHCPSHWIP-IBGZPJMESA-N 443.479 4.343 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc([N+](=O)[O-])c(O)cc2C)n[nH]1 1821344697 YYDLSRBEEQKUCK-SUMWQHHRSA-N 443.504 4.074 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cc([C@@H]2CCCCN2C(=O)CC2CCC2)[nH]n1 1823502695 GKOSLORCIISTCH-SGWGQVFISA-N 437.500 4.214 5 20 IIBD Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1 1823615129 MRMIIMCDVNZEHM-IBGZPJMESA-N 425.485 4.043 5 20 IIBD C/C=C/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1831364734 NRKJRQRDUIDLOK-ZJJSWAHQSA-N 429.492 4.100 5 20 IIBD COc1ccc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 10899920 VTRZDUOXFZEKPR-DJTWPOEFSA-N 438.358 4.206 5 20 IIBD CCOc1ccc(NC(=O)c2ccc(NC(=O)CNc3cccc([N+](=O)[O-])c3)cc2)cc1 15085815 PXGZITQGAKHEOB-UHFFFAOYSA-N 434.452 4.296 5 20 IIBD O=C(CCc1nc(-c2ccsc2)no1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 15586981 GKBJLGMCMNTGBZ-UHFFFAOYSA-N 427.467 4.401 5 20 IIBD Cc1c(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3Cl)n2C)cccc1[N+](=O)[O-] 22046668 ATULSWCTKSYLRR-GFCCVEGCSA-N 431.905 4.471 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(NC(=O)Nc2ccc(F)cc2)cc1 24365907 ZYQDEYGHYPJVGN-UHFFFAOYSA-N 444.444 4.487 5 20 IIBD CC(C)c1ccccc1OCC(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 24772132 XBBQEIQIZCVEEV-UHFFFAOYSA-N 440.374 4.298 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1cccc(COCc2ccccc2)c1 32442086 VMNMQKGJTGRIKE-UHFFFAOYSA-N 426.494 4.099 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@@H](C)C2)c1C 32632366 ZCOQEAHMAIFSSF-HUUCEWRRSA-N 445.541 4.131 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(OC(F)F)cc1OC(F)F 57615536 RSNMXYBHGUXIBT-UHFFFAOYSA-N 432.330 4.031 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(F)c(NC(=O)c3ccoc3C)c2)cc1C 60443125 ZJOXXXARSHGSGN-UHFFFAOYSA-N 447.444 4.305 5 20 IIBD CSCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2I)cc1 72091593 GRSLDVVGMLVEMD-UHFFFAOYSA-N 428.251 4.315 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1ccc2[nH]c(C(F)F)nc2c1)c1ccccc1[N+](=O)[O-] 111138255 WDIDKIAACNTICB-HNNXBMFYSA-N 446.410 4.222 5 20 IIBD CC(C)NC(=O)c1ccc(N2CCO[C@H](c3ccccc3Br)C2)c([N+](=O)[O-])c1 301161887 UDTRSSGZCISRDA-IBGZPJMESA-N 448.317 4.073 5 20 IIBD Cc1c(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cccc1-c1ncco1 427333395 YRHVHRMXGYBINR-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCC[C@@H](Oc2ncccc2F)C1 427437732 YNQBVAPSOJAXQD-CQSZACIVSA-N 435.430 4.038 5 20 IIBD CCc1cc(=N[C@H](Cc2nc(C)no2)c2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 428680914 MGIUZHJRMCCDGK-HXUWFJFHSA-N 430.468 4.123 5 20 IIBD O=C(NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)c1ccc2[nH]c3ccccc3c(=O)c2c1 430476479 IMIMIQOBFSSJMT-IGKIAQTJSA-N 444.506 4.324 5 20 IIBD C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)CCN1Cc1ccccc1 430633961 CTPSZRDWGJTMKL-HOCLYGCPSA-N 432.318 4.140 5 20 IIBD CCN(CC)C[C@H]1CCCC[C@H]1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 430828079 RFKCEEIYBNLTEW-RHSMWYFYSA-N 431.455 4.166 5 20 IIBD CN(C)[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1Cl 431155568 AGECXJNZFVACJI-MRXNPFEDSA-N 426.698 4.043 5 20 IIBD C[C@H]1C[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCN1Cc1ccccc1 431495813 KVWOJTSAMUWVMZ-KSSFIOAISA-N 432.318 4.140 5 20 IIBD COc1ccc(NC(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc1[N+](=O)[O-] 432427367 CGRKWJMAQJQPOV-ZDUSSCGKSA-N 433.770 4.131 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@@H](Cc4ccc(Br)cc4)C3)o2)cc1 433297139 VKZURAASWMVWIN-HNNXBMFYSA-N 443.301 4.472 5 20 IIBD O=C(Cc1cc(Br)ccc1F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 434147984 LPLZVCYWNUGDHM-UHFFFAOYSA-N 437.265 4.109 5 20 IIBD O=C(NCCc1nccn1Cc1ccccc1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 435946510 YGHSGLUHTWCHTO-UHFFFAOYSA-N 440.478 4.038 5 20 IIBD CN1CCO[C@H]([C@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 436387877 RPWQFFXQTQFKDI-DOTOQJQBSA-N 430.814 4.146 5 20 IIBD CCOc1cc(-c2noc(Cc3cccc([N+](=O)[O-])c3C)n2)cc(Br)c1O 439001735 MAHSBRVSJJILKZ-UHFFFAOYSA-N 434.246 4.411 5 20 IIBD CCN(Cc1c(F)cccc1F)S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 439252552 QDRYLOLZVRSRFC-UHFFFAOYSA-N 449.273 4.155 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1cccc(-c2ccc(C)cc2)c1 440081610 PZYFVNVNJWRBNK-UHFFFAOYSA-N 433.464 4.224 5 20 IIBD CC[C@H](c1ccc(F)cc1F)N1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 441482861 DZJAGDZUOFPFOT-HXUWFJFHSA-N 443.454 4.192 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1 442835027 CQAZKJODMXJZLO-NVXWUHKLSA-N 442.459 4.313 5 20 IIBD COCc1nc(CN[C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c(-c2ccccc2)s1 442863033 BSMPYXKXIBOBSW-HNNXBMFYSA-N 440.525 4.372 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)c1 446617429 MABOSUNLNXXOLH-OAHLLOKOSA-N 439.493 4.098 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3C[C@H](C)CN(C)c4ccccc43)cc2)c(C)c1[N+](=O)[O-] 460337381 CXZRJFWNYOLFQC-MRXNPFEDSA-N 433.512 4.189 5 20 IIBD COC[C@@H]1CCCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cccs2)C1 461306427 KHKPOKQMEFWFMP-MRXNPFEDSA-N 427.530 4.216 5 20 IIBD COc1ccc([N+](=O)[O-])c(N2CCN(C(=O)c3ccc(OCc4ccccc4)cc3)CC2)c1 462380131 MSPACKUQPGDIID-UHFFFAOYSA-N 447.491 4.145 5 20 IIBD COC(=O)c1cc(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)cc([N+](=O)[O-])c1 464174285 LFLXPTBYBUUKJH-UHFFFAOYSA-N 447.163 4.415 5 20 IIBD COc1ccccc1O[C@@H](C)CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 464301421 NCJWYXLDHGBOKM-KRWDZBQOSA-N 435.480 4.413 5 20 IIBD Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 464703749 LAGZDDYYKUXHTI-CVDCTZTESA-N 434.496 4.201 5 20 IIBD CS(=O)(=O)c1cccc([C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)c1 466393260 WLBWJUIVYVCKQL-HXUWFJFHSA-N 443.456 4.049 5 20 IIBD CO[C@@H]1CCOc2c(NC(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)cccc21 468683682 QTGOBIKUOCPRRH-HXUWFJFHSA-N 436.468 4.179 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)C2(C)C)cc1[N+](=O)[O-] 469324510 IHGXDOBPMKVEOC-LBPRGKRZSA-N 445.257 4.017 5 20 IIBD CC(C)Sc1cccc(Cl)c1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 474930590 QVCUUQKJDSTUCR-UHFFFAOYSA-N 428.963 4.312 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)cn2)C[C@@H](C)O1 477170244 ULCHUWUXSYGQIN-GASCZTMLSA-N 446.482 4.081 5 20 IIBD CC(=O)N1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C1 477306948 JUBZUBQDJYKZTO-OAHLLOKOSA-N 447.944 4.388 5 20 IIBD CN1C(=O)C[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)[C@@H]1c1ccc(Cl)c(Cl)c1 479153496 BYINLEGPZMKHRR-UZLBHIALSA-N 448.306 4.006 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCC3(C(F)F)CC3)c([N+](=O)[O-])c2)c(C)c1 480503866 ZXKDDFAHYZZNAL-UHFFFAOYSA-N 425.457 4.470 5 20 IIBD Cc1c([C@@H](C)NCc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)cccc1[N+](=O)[O-] 481299029 KJGHGPFMVWRBPV-FUHWJXTLSA-N 431.558 4.175 5 20 IIBD C[C@H]1CN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C[C@H](C)S1=O 481768045 PCJLLCJFSIVLCO-STQMWFEESA-N 438.958 4.381 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccc(Br)s1 481968328 QZORKQVXZBOUGX-UHFFFAOYSA-N 445.360 4.130 5 20 IIBD O=C(Nc1nc([C@H]2C[C@H]3CC[C@H]2C3)cs1)c1cccc([N+](=O)[O-])c1N1CCOCC1 482405287 XXLZKKBZWBSLQA-DZKIICNBSA-N 428.514 4.044 5 20 IIBD COCCN(C(=O)Cc1cc(F)ccc1OC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 483950099 UPEGRGBTDJSIQN-UHFFFAOYSA-N 445.472 4.088 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 484117404 VULSFRYXKDSBQM-WBVHZDCISA-N 447.438 4.052 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@@H](c1ccccc1)C(F)(F)F 485577050 IIHZOUAZCOBPJI-AWEZNQCLSA-N 431.208 4.362 5 20 IIBD CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 486816751 DSBYAGGNFBKVOU-MOPGFXCFSA-N 438.528 4.020 5 20 IIBD O=C(Nc1ccc(OCCN2CCCCC2)cc1)c1ccc(Br)cc1[N+](=O)[O-] 489330510 SDUVEPJQKAIGSQ-UHFFFAOYSA-N 448.317 4.474 5 20 IIBD CCc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)cn2)c1 493990771 DCOGHAUJPPJVQZ-INIZCTEOSA-N 448.479 4.469 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)cc1[N+](=O)[O-] 495902541 NACVTTDNNJTTSF-PKOBYXMFSA-N 445.585 4.349 5 20 IIBD CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 497767784 MQYFHDWEJQLORB-UHFFFAOYSA-N 433.251 4.161 5 20 IIBD Cc1cccc(N(CC(=O)N2CCCCC2)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 498181296 BBEKXLYDXZFUGB-UHFFFAOYSA-N 447.438 4.164 5 20 IIBD Cn1c(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)ccc1[N+](=O)[O-] 498462885 HTNIYMJRXFNVIZ-GOSISDBHSA-N 444.944 4.178 5 20 IIBD CCCCCC(=O)NC1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1 498466846 VVSHWCCGVAMPRQ-UHFFFAOYSA-N 444.576 4.132 5 20 IIBD COc1cccc(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1OC1CCCC1 499222408 LBPZAMAVUKDQIJ-UHFFFAOYSA-N 425.485 4.429 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(C)C2CCN(Cc3ccccc3)CC2)cc1SC 499497775 QIJIIFTVPJLXFQ-UHFFFAOYSA-N 429.542 4.062 5 20 IIBD CCn1c(Sc2ncnc3c(F)c(OC)ccc23)nnc1-c1ccc([N+](=O)[O-])cc1 499804644 WYUWBLKMKYJTMC-UHFFFAOYSA-N 426.433 4.115 5 20 IIBD C[C@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)c1ccccc1OC(F)F 502100112 VNLCIDXQBGVEME-ZDUSSCGKSA-N 441.456 4.154 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC(c2nc(C3CCOCC3)no2)CC1 504667273 BHAQKQDHDMPSOL-UHFFFAOYSA-N 426.395 4.275 5 20 IIBD O=C(Nc1ccc2scnc2c1)c1ccc([N+](=O)[O-])cc1I 505866526 RDZYNCXQUDNJGC-UHFFFAOYSA-N 425.207 4.061 5 20 IIBD COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2I)c2cccnc12 508597530 IHBDTBKOIKXXBX-UHFFFAOYSA-N 449.204 4.009 5 20 IIBD CCN(Cc1ccc2ccccc2c1)C(=O)c1cc(OC)c(OCCOC)cc1[N+](=O)[O-] 511461199 JOVDPHCBBHWXCB-UHFFFAOYSA-N 438.480 4.444 5 20 IIBD C[C@H](NC(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)c1cccc([N+](=O)[O-])c1 511608582 FLOBQDNTGPUZLF-AWEZNQCLSA-N 443.456 4.449 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)c1ccc(Oc2cccnc2)cc1 514696816 MSJBJTFGJLLLMH-HNNXBMFYSA-N 434.452 4.160 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2ccc(Cl)c3cccnc23)c1 518698873 DLGFGHUKRZRKAF-UHFFFAOYSA-N 442.678 4.360 5 20 IIBD C[C@@H](NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1nc(C(C)(C)C)cs1 521297231 DBXMWFHYVUECDY-SECBINFHSA-N 448.364 4.151 5 20 IIBD COc1ccc([C@H](Cc2ccccc2C)NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1OC 521486931 IXMRAQQPWDOBPI-IBGZPJMESA-N 436.464 4.340 5 20 IIBD CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 521552836 ZNRMVTVXOPWJQI-QWHCGFSZSA-N 435.933 4.432 5 20 IIBD CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 521552837 ZNRMVTVXOPWJQI-STQMWFEESA-N 435.933 4.432 5 20 IIBD COc1ccc([C@H](C)NC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 521778092 VTUMWBCHEPTUPD-LBPRGKRZSA-N 426.395 4.095 5 20 IIBD Cc1ccc([C@@H](CN2CCOCC2)NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 522196934 XIDVUVFNKNCGAW-JOCHJYFZSA-N 438.553 4.190 5 20 IIBD O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1csc(-c2cccc([N+](=O)[O-])c2)n1 523301406 MWBDKRADCORHFC-UHFFFAOYSA-N 440.462 4.352 5 20 IIBD COc1ccc(CC[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1OC 523545873 ARHBXEXLJJHYNL-SFHVURJKSA-N 448.541 4.096 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCc2cc(Br)cc(F)c2C1 530316360 KFTNNPUCLHPBSM-UHFFFAOYSA-N 430.233 4.243 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(CCc3ccc(O)cc3)CC2)cc1OC 531624914 NGUIZGWZROSAEN-UHFFFAOYSA-N 428.485 4.193 5 20 IIBD Cc1cc([C@H](NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C2CC2)ccc1F 534034348 CUOVLVXYKUJXIL-LJQANCHMSA-N 441.488 4.203 5 20 IIBD O=C(NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1c[nH]c2cccc([N+](=O)[O-])c12 535677762 WBALXYZNOPLTPO-UHFFFAOYSA-N 429.358 4.211 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](CO)Cc1c(F)cccc1Cl 538271714 SYTLCWYGVDBZAX-CYBMUJFWSA-N 440.924 4.469 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(CNc2cc(C)nc3c([N+](=O)[O-])cccc23)s1 538448028 HVJFVMGXTJHCDB-UHFFFAOYSA-N 434.543 4.156 5 20 IIBD C[C@H]1C[C@H](N(C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 538733123 RXOZLZZGSFYJDY-YADARESESA-N 433.556 4.480 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 539846259 UPOVGRRIHLGUPC-UHFFFAOYSA-N 449.429 4.137 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)c1 540629096 YEKZGIMGWBIGCA-UHFFFAOYSA-N 435.436 4.202 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2NC(=O)c2ccccc2)c1 541801863 HDTVKHMULSEEBA-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD NC(=O)c1ccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1N1CCCCC1 542191125 ALXFQXGDEUHPHH-UHFFFAOYSA-N 448.932 4.068 5 20 IIBD C[C@@H](CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)c1nccs1 543576416 QEQYGFLTOLXHSE-NSHDSACASA-N 448.551 4.122 5 20 IIBD CC(C)OC[C@H]1CN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CCO1 548111511 XWYSKHVUVNQVBM-GOSISDBHSA-N 447.919 4.126 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 552270010 AYTOJEGHFJLVQZ-AWEZNQCLSA-N 436.386 4.405 5 20 IIBD CC(C)(C(=O)NCc1cc(F)c(F)cc1Br)c1ccc([N+](=O)[O-])cc1F 553248751 HMFIDNBRELJFRF-UHFFFAOYSA-N 431.208 4.369 5 20 IIBD COCCC[C@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1 557678955 AVPPCJINBGFPIX-OAHLLOKOSA-N 426.922 4.274 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCOc3ccc(Br)cc32)c1 558802478 JQUNBFDOAKNHPN-MRXNPFEDSA-N 435.274 4.352 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CN[C@@H](c3cncc(Br)c3)C3CC3)n2)cc1 560176101 ZOTUPVSFNGPXKK-QGZVFWFLSA-N 430.262 4.043 5 20 IIBD Cc1c(NC(=O)CCN2CCC(c3noc4cc(F)ccc34)CC2)cccc1[N+](=O)[O-] 563573190 OHZNKBJQKURGKT-UHFFFAOYSA-N 426.448 4.392 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)CC(=O)Nc1cccc(Cl)c1 571944395 ZRDDWTURQHIQAN-UHFFFAOYSA-N 440.681 4.030 5 20 IIBD O=[N+]([O-])c1ccccc1OC[C@H](O)Cn1c(CCOc2ccccc2)nc2ccccc21 572796769 YWFDLDJMNYMWDS-GOSISDBHSA-N 433.464 4.006 5 20 IIBD COc1ccc(C(=O)N2CCC[C@@H]2c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)cc1 589136708 KHMZQQWTBCEVNN-HXUWFJFHSA-N 447.451 4.036 5 20 IIBD COC(=O)c1cc(C(C)(C)NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)no1 589244027 YRIKSCDHOYETNK-UHFFFAOYSA-N 440.412 4.219 5 20 IIBD Cc1ccc(OCc2nc(CS(=O)(=O)Cc3cccc([N+](=O)[O-])c3C)cs2)cc1 603956094 BRSDUAFAUPWWMP-UHFFFAOYSA-N 432.523 4.362 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 608964308 DPOUNYDOMUIRMN-SFHVURJKSA-N 431.420 4.210 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(OC(C)C)cc1C(F)(F)F 609218917 BCQSVNWPRSIQIQ-UHFFFAOYSA-N 434.392 4.210 5 20 IIBD C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 609392602 FORICGKQJMHKAF-JTQLQIEISA-N 444.702 4.032 5 20 IIBD Cc1nc2c(s1)[C@@H](N(C)C(=O)c1ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc1)CCC2 609508500 CYYHJVRIUJHQGQ-IBGZPJMESA-N 439.541 4.371 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 609646665 GTROYVYSFDQGGW-ZFWWWQNUSA-N 439.459 4.489 5 20 IIBD O=C(NCCc1nc(C2CCCCC2)cs1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609766234 ILSMLMMXTMYLRC-UHFFFAOYSA-N 426.498 4.325 5 20 IIBD Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 610156577 OGANZYSRIUKQBY-UHFFFAOYSA-N 440.456 4.397 5 20 IIBD O=C(NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 610963857 YHNNBAXVQSSJFF-INIZCTEOSA-N 428.920 4.449 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCc4sccc4C3)nc2)cc1[N+](=O)[O-] 617229618 JKDQIQIBOJFRDX-UHFFFAOYSA-N 444.538 4.032 5 20 IIBD COc1cc(Cc2noc(C3CC(OCc4ccccc4)C3)n2)c([N+](=O)[O-])c(OC)c1 618439462 MMMROIVRVGQSMG-UHFFFAOYSA-N 425.441 4.049 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CN3CCOc4c(Br)cccc4C3)co2)cc1 619285901 LHXYLVNVEZCGCY-UHFFFAOYSA-N 430.258 4.407 5 20 IIBD COc1cc(C(=O)OCC(=O)N[C@H](c2ccc(C)cc2)c2cccs2)ccc1[N+](=O)[O-] 725949298 ZOOBSWTXUYBAQM-OAQYLSRUSA-N 440.477 4.036 5 20 IIBD CN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@@H](c1cccc(F)c1)c1cnn(C)c1 726367665 FWJDVIRYYSCFEV-SFHVURJKSA-N 447.264 4.092 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C(=O)N2C[C@@H](C)C[C@@H](C)C2)C(C)C)cc1SC 728649198 GDISSHVGCFOZHZ-BIENJYKASA-N 438.546 4.011 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)O[C@@H](C)C(=O)Nc2cccc(F)c2)CC1 729469477 ARMRFLVETIHUHP-HNNXBMFYSA-N 429.448 4.154 5 20 IIBD COCCN(Cc1ccc(F)cc1Cl)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 730498937 JGXQXYSDGUAEIA-UHFFFAOYSA-N 445.672 4.439 5 20 IIBD O=C(COC(=O)c1cccnc1SCc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 731712094 KMWLWLRGMVFOGB-UHFFFAOYSA-N 426.425 4.461 5 20 IIBD COC(=O)Nc1ccccc1C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 733129334 VZBHXSVTGJUURM-UHFFFAOYSA-N 435.392 4.245 5 20 IIBD Cc1cc(Cl)c(N)c(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 734900688 XHROERXULDKOEZ-VIFPVBQESA-N 445.781 4.342 5 20 IIBD C[C@H](OC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1nc2cc(Br)cnc2[nH]1 735214643 FBULBUCANHLKIJ-QMMMGPOBSA-N 430.218 4.028 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)/C=C\c1ccc(I)o1 736160259 NIPKJNABJIMHTR-HYXAFXHYSA-N 432.601 4.406 5 20 IIBD Cc1c(C(=O)NC2(c3cccc(Br)c3)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 740790860 OMTAWNBNLKTFAP-UHFFFAOYSA-N 434.246 4.301 5 20 IIBD CC[C@@H](Cc1ccc(C)cc1)OC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 744258934 AIROVKMLDDQOAA-KRWDZBQOSA-N 426.498 4.361 5 20 IIBD COc1cccc(C2(C(=O)O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CCCC2)c1 744992799 VBYWKUILCIXHHJ-INIZCTEOSA-N 426.469 4.294 5 20 IIBD O=C(COC(=O)c1ccc(Oc2ccccc2Cl)nc1)Nc1cccc([N+](=O)[O-])c1 746518089 MQRSZOICSXEDLI-UHFFFAOYSA-N 427.800 4.231 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Cn1c(S)nnc1-c1ccc(Cl)cc1 746595093 ZTPNUXZDAMMQNN-UHFFFAOYSA-N 445.932 4.233 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1C[C@@H]1c1cccc(Br)c1 747521390 OMYRKCFZBSXGFL-HZPDHXFCSA-N 444.241 4.254 5 20 IIBD Cc1cc(SC(C)(C)C)ccc1NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 751257793 WPSDEORUMHRPRR-UHFFFAOYSA-N 429.498 4.158 5 20 IIBD COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2cccc([N+](=O)[O-])c2Br)c1 753807254 VBOGUCCQFYMFDW-MRXNPFEDSA-N 449.301 4.187 5 20 IIBD CCCCCCn1nc(C(=O)N2CCCc3c2cccc3[N+](=O)[O-])c2ccccc2c1=O 754410817 YIYFRPZEAPPZHD-UHFFFAOYSA-N 434.496 4.478 5 20 IIBD Cc1ccc(S(=O)(=O)c2ccc(COC(=O)c3ccc(F)cc3[N+](=O)[O-])cc2)cc1 758114730 FMZLVVWZPNKSLD-UHFFFAOYSA-N 429.425 4.232 5 20 IIBD Cc1cc(F)cc(C(=O)Oc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c1[N+](=O)[O-] 758379954 JKTAWHVPZSERJT-UHFFFAOYSA-N 444.440 4.087 5 20 IIBD COc1cc(C(=O)OC[C@H]2CCN(C(C)=O)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 758566391 LXQCFICOCARLCR-AWEZNQCLSA-N 448.859 4.074 5 20 IIBD CC(C)CS(=O)(=O)CCc1nc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)no1 761856739 DDVHWZUJYWYSAK-UHFFFAOYSA-N 431.470 4.050 5 20 IIBD Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)cc1 763384504 SGUMWILLMTVRFO-UHFFFAOYSA-N 425.391 4.364 5 20 IIBD Cc1ccccc1NC(=O)Cc1nc(COC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)cs1 763402476 BSEBHMISOHGGNN-OAHLLOKOSA-N 439.493 4.388 5 20 IIBD O=C(Oc1cc(F)cc([N+](=O)[O-])c1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 771488830 MCKJSHOWIBNHQP-UHFFFAOYSA-N 440.349 4.211 5 20 IIBD O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)C(O)(c1ccccc1)c1ccccc1 773345988 KGVPGKXOEVOJQK-UHFFFAOYSA-N 442.265 4.337 5 20 IIBD CSc1ccc(C)c(NC(=O)c2cc([N+](=O)[O-])ccc2I)c1 775969713 QUHMIOWUIHUUEI-UHFFFAOYSA-N 428.251 4.482 5 20 IIBD O=C(C[C@H](c1ccccc1)N1CCOC1=O)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776133541 MUJHEFZNDNIUMJ-GGAORHGYSA-N 447.447 4.206 5 20 IIBD COC(=O)c1csc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)c1C 776497220 ROZHCLSJONJLQP-UHFFFAOYSA-N 433.667 4.420 5 20 IIBD C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(OCc2noc(C3CC3)n2)cc1 777688676 OCERGTFXBUJVDU-AWEZNQCLSA-N 437.456 4.263 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnn(CN3CCO[C@H](c4ccc(OC(F)F)cc4)C3)c2)c1 777959045 ZKXXRAFTJSEZAL-FQEVSTJZSA-N 430.411 4.091 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 777976950 VHXSXZDNXDTSCQ-HNNXBMFYSA-N 445.472 4.056 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@H](C)CN1C(=O)OC(C)(C)C 780990936 VDUDKJYYEIHYBN-HZPDHXFCSA-N 435.524 4.151 5 20 IIBD C[C@]1(C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCCOC1 781287429 RFUGEWUUADJLKW-RXVVDRJESA-N 432.860 4.288 5 20 IIBD O=C(C[C@H]1C=CCC1)Nc1ccccc1NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781650440 LKGJMWWMLOKZES-YCRPNKLZSA-N 434.452 4.021 5 20 IIBD Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2cccc([N+](=O)[O-])c2Br)c(C)c1 781675137 AUIZUWDPQAOILL-ZDUSSCGKSA-N 435.274 4.467 5 20 IIBD CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccc([N+](=O)[O-])s2)NC(=S)N1 782244926 LKZYCGNEJOTPGC-AWEZNQCLSA-N 442.444 4.107 5 20 IIBD CCOc1cccc2[nH]cc(CC(=O)O[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c12 782458903 BZAZLGFLUMFJJN-CYBMUJFWSA-N 436.424 4.372 5 20 IIBD C[C@H](CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1c(Cl)cccc1Cl 783319986 RRLNGHBFPSBDMW-SECBINFHSA-N 430.675 4.413 5 20 IIBD Cc1cccc(O[C@H]2CCCC[C@H]2NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 783337939 KHTZILZHHDCZSB-MJGOQNOKSA-N 431.876 4.002 5 20 IIBD Cc1cc(C)cc([C@H](C)NC(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2Br)c1 784702179 LXAGBCQHYNZASZ-ZDUSSCGKSA-N 434.290 4.098 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)[C@@H]2COc3ccccc32)c2ccccc2)c([N+](=O)[O-])c1 785772359 AHMRBTUCTBKIKA-GCJKJVERSA-N 432.432 4.302 5 20 IIBD Cc1ccc(N2CCOC2=O)cc1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 785837176 GMRRRNOIERZXGW-UHFFFAOYSA-N 438.362 4.200 5 20 IIBD COc1cc(NC(=O)COc2cc([N+](=O)[O-])ccc2Br)c(OC)cc1Cl 786746297 VHKKZWPEHKRSIR-UHFFFAOYSA-N 445.653 4.045 5 20 IIBD Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1 787000508 PMNXWAFBDKPSGN-UHFFFAOYSA-N 446.250 4.383 5 20 IIBD C[C@@H]1C[C@@H](O)CN1Cc1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1 788268953 JFSQCRTZMZIEJO-BXUZGUMPSA-N 446.510 4.219 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c1F 790518839 MAGPLRQXIFRFKJ-UHFFFAOYSA-N 437.830 4.326 5 20 IIBD O=C(c1csc(-c2ccoc2)n1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791171951 JHMVAPDTPPOTHR-UHFFFAOYSA-N 434.271 4.272 5 20 IIBD Cc1ccc2c(CC(=O)N3CCc4c(Br)ccc([N+](=O)[O-])c4C3)c[nH]c2c1 791174527 MYSGVKPSBWTMBJ-UHFFFAOYSA-N 428.286 4.274 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Oc2cccc(-c3ncnn3C)c2)cc1[N+](=O)[O-])c1ccccn1 792148803 SBBGCLIZFGUSTI-OAHLLOKOSA-N 444.451 4.178 5 20 IIBD C[C@H]1CN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C[C@H](c2cccc(C(F)(F)F)c2)O1 793704558 RMEXUSXZIAAVLQ-IFXJQAMLSA-N 447.417 4.292 5 20 IIBD O=[N+]([O-])c1cccc(F)c1OS(=O)(=O)c1cc(C(F)(F)F)ccc1Br 798450727 QJWXQSVFTXKDNA-UHFFFAOYSA-N 444.156 4.283 5 20 IIBD C[C@@]1(C(F)(F)F)c2ccccc2CCN1C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 798791334 QWHSGQRRYUWDCQ-IBGZPJMESA-N 437.374 4.298 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3ncccc3CSC)CC2)ccc1[N+](=O)[O-] 810596302 SYIDYICYSJPMJS-UHFFFAOYSA-N 431.514 4.077 5 20 IIBD CC(=O)N[C@@H](CC(=O)OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1c(F)cccc1F 811086316 SNYSMZYXBABFOX-HNNXBMFYSA-N 447.221 4.491 5 20 IIBD Cc1cc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(C(=O)NCC(F)(F)F)cc1F 813288454 ILYMMWZXNYOQSN-UHFFFAOYSA-N 433.745 4.240 5 20 IIBD O=[N+]([O-])c1ccc2c(I)nn(Cc3ncc(-c4ccccc4)o3)c2c1 814265603 MNHTXGWPXOQQPC-UHFFFAOYSA-N 446.204 4.252 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2 818883007 RYRFOBYUPGNARL-UHFFFAOYSA-N 444.491 4.045 5 20 IIBD CSCC[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)O[C@@H](C)c1ccccc1 847414081 GSKJFZNMSDKSIB-SUMWQHHRSA-N 436.917 4.404 5 20 IIBD O=C(CCCSc1ccc(Cl)cc1)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 916755594 XJNHOXLZUNALIM-UHFFFAOYSA-N 449.337 4.279 5 20 IIBD CCCCN1C(=O)C[C@@H](C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)[C@@H]1c1ccc(OC)cc1 916757870 FOBQFCLZTCTWOP-UTKZUKDTSA-N 429.448 4.071 5 20 IIBD C[C@@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(=O)Nc1ccccc1Br 917263211 NSJUDWQSVNPCPJ-SNVBAGLBSA-N 433.214 4.288 5 20 IIBD COc1ccc(COC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 918788252 YGENDADZTOQUDE-FQEVSTJZSA-N 434.448 4.208 5 20 IIBD CN(C(=O)c1ccccc1C(=O)OCCOc1ccccc1[N+](=O)[O-])C1CCCCC1 918878011 QIGYQZMNIRPVLJ-UHFFFAOYSA-N 426.469 4.235 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CCn1c2ccccc2c2ccccc21 919300367 RTJNFYUOWGWRRF-UHFFFAOYSA-N 447.447 4.283 5 20 IIBD C[C@@H](Nc1ccc(C(=O)OCC(=O)Nc2cccc(F)c2)cc1[N+](=O)[O-])c1ccccn1 920544578 DAFHJVZJKNUINQ-CQSZACIVSA-N 438.415 4.098 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(Oc3cccc(F)c3)nc2)cc([N+](=O)[O-])c1 1317873992 ZAONWYNGOZMLFD-UHFFFAOYSA-N 425.372 4.350 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCC(O)(Cc2ccccc2F)CC1 1321043681 SEMOIDWDFYGQRM-UHFFFAOYSA-N 443.353 4.235 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCc1ccc(-n2cnc3ccccc32)nc1 1322194626 PDUXWDCDTXSEPI-UHFFFAOYSA-N 444.495 4.151 5 20 IIBD O=[N+]([O-])c1ccccc1-n1ccc(-c2nnc(-c3cc(F)ccc3Br)o2)n1 1322357336 KMVIIHVBSDPTQE-UHFFFAOYSA-N 430.193 4.399 5 20 IIBD O=C(Cc1noc(-c2ccc3c(c2)oc2ccccc23)n1)NCc1ccc([N+](=O)[O-])cc1 1323602623 MKBXAALQLQUAHN-UHFFFAOYSA-N 428.404 4.403 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(F)cc1OC(F)F 1324907561 RNDMDGQOUCRJFB-WDEREUQCSA-N 427.379 4.022 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N[C@H]1CN2CCC1CC2 1347227000 LYUGDPWZQNNXTK-DOIQENQNSA-N 448.548 4.346 5 20 IIBD CC(F)(F)C(=O)Nc1ccc(C2(NC(=O)Cc3cc(F)ccc3[N+](=O)[O-])CCC2)cc1 1787936378 DQEZNWVANYPDBL-UHFFFAOYSA-N 435.402 4.066 5 20 IIBD C[C@@H]1CC[C@H](C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccccc4[N+](=O)[O-])CCC3)cc2)O1 1789157413 AXSHBTBLEWFZHH-DAJLPEFQSA-N 449.507 4.310 5 20 IIBD CC[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2ccc(C)c([N+](=O)[O-])c2)C3)CC1 1802024366 GPOMPILOQWCBNP-WSJSTIOHSA-N 441.572 4.300 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc([C@H]2CCCCN2C(=O)CC2CCCC2)[nH]n1 1814373847 JZHYYLOMUQXKKO-HXUWFJFHSA-N 439.516 4.133 5 20 IIBD Cc1ccc(C)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)c1 1829836314 XDRIJRZNJJASJL-OAQYLSRUSA-N 438.528 4.087 5 20 IIBD CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 10949758 HADCGIZUZXSYCS-QIIPPGSGSA-N 426.897 4.207 5 20 IIBD CC(=O)N(c1ccccc1)c1nc(COC(=O)CCNc2ccccc2[N+](=O)[O-])cs1 11314930 OANRMWKJUKOJOY-UHFFFAOYSA-N 440.481 4.281 5 20 IIBD COCCOc1ccc(C(F)(F)F)cc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 14596347 DIJQKJOWFPQFRO-UHFFFAOYSA-N 430.404 4.370 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2ccc(N3CCCC3)cc2C)c1 16197054 MSUAWNXKWJLTDR-UHFFFAOYSA-N 429.498 4.021 5 20 IIBD COc1ccccc1NC(=S)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C 18142918 RJNPFGUNKYSQND-UHFFFAOYSA-N 427.486 4.261 5 20 IIBD Cc1ccccc1-n1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nc2ccccc2c1=O 20752809 GIUXAQHOKCEBBU-UHFFFAOYSA-N 446.488 4.333 5 20 IIBD CCSc1nnc(Sc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])s1 26757731 DNSFVYIVCVNWCG-UHFFFAOYSA-N 431.464 4.003 5 20 IIBD COc1cc(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])ccc1NC(=O)c1cccnc1 31445572 OPJAPHYFXRSMCK-UHFFFAOYSA-N 438.465 4.225 5 20 IIBD Cn1c([C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c2ccccc2)nc2ccccc21 109774120 LQAWSORSQRMMEZ-JOCHJYFZSA-N 425.448 4.482 5 20 IIBD C[C@H](NC1(CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCCC1)c1ccccc1 217093200 PZULCIFEVGPKEU-SFHVURJKSA-N 447.539 4.389 5 20 IIBD COc1cc(CNCc2cn(-c3ccccc3)nc2-c2ccncc2)c([N+](=O)[O-])cc1OC 237416806 LEYJUOUTAFDTPU-UHFFFAOYSA-N 445.479 4.150 5 20 IIBD Cn1cc(CNC[C@H]2CCCN(Cc3cccs3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 237769522 QNTIEOHFZCDKGC-QGZVFWFLSA-N 425.558 4.059 5 20 IIBD CN1CC[C@@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 301860077 FIHQGQXYSQSSDC-BTYIYWSLSA-N 446.910 4.384 5 20 IIBD C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N(C)Cc1nc2ccccc2o1 431608355 VZPLNLFGPHXCGY-CYBMUJFWSA-N 437.481 4.319 5 20 IIBD CSc1nnc(CCCNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)n1C1CCCC1 431993493 SFCGZXDKFYKRAQ-UHFFFAOYSA-N 446.577 4.190 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccccc1NC(=O)C[C@@H]1C=CCC1 432494382 NFWMZZPFLNHLAP-MRXNPFEDSA-N 446.463 4.455 5 20 IIBD Cc1cc(OCC(=O)Nc2ccccc2-c2n[nH]c(-c3ccccc3)n2)ccc1[N+](=O)[O-] 435580363 PYHYRZMNCPJLQR-UHFFFAOYSA-N 429.436 4.373 5 20 IIBD O=C(CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)Nc1cccc2ccccc12 436346806 QEZWZKDMIBBXCP-UHFFFAOYSA-N 439.446 4.342 5 20 IIBD COc1cc(CCNC(=O)c2cc(Cl)cc(Br)c2)c([N+](=O)[O-])cc1OC 437141823 GZQJLMNSMXCWBW-UHFFFAOYSA-N 443.681 4.000 5 20 IIBD CCOc1cc(NC(=O)N2CC(Cc3ccc(F)c(F)c3)C2)c([N+](=O)[O-])cc1OCC 438337880 NUGJRPCBZKAMTE-UHFFFAOYSA-N 435.427 4.377 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC(c2cccc(Br)c2)CC1 439322410 VPSZTMWDPKCQAG-UHFFFAOYSA-N 432.318 4.484 5 20 IIBD O=C(Nc1ccc2c(c1)COC2)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 440217869 QDCMEBQRDYOEKU-UHFFFAOYSA-N 441.490 4.415 5 20 IIBD COc1ccc(-c2ncc(C(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCCO4)s2)cc1 443822985 HJBOUDQWXBDCHQ-UHFFFAOYSA-N 427.438 4.141 5 20 IIBD COc1ccc(O[C@H](C)CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1 444094187 CNXLNNQCXYSFMO-CYBMUJFWSA-N 438.430 4.165 5 20 IIBD CCOCCOc1cc(C)ccc1CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444231312 DGYKJIDGILQEDJ-UHFFFAOYSA-N 448.494 4.474 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc(Br)cc1C(F)(F)F 444633853 VYBFQFXVLPSQRQ-UHFFFAOYSA-N 443.179 4.182 5 20 IIBD Cc1cc(C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c2cc(Br)ccc2n1 444648619 YQPAVUMKSQXHFS-UHFFFAOYSA-N 440.257 4.020 5 20 IIBD O=[N+]([O-])c1ccc2nc(CN3CCC(Oc4cccc(Br)c4)CC3)[nH]c2c1 444674837 LRFREMMMFPDBNB-UHFFFAOYSA-N 431.290 4.277 5 20 IIBD Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C\c2nc(-c3c([N+](=O)[O-])ncn3C)no2)o1 445573737 JOBHOZVUHROHIT-LUAWRHEFSA-N 443.423 4.303 5 20 IIBD CCN(Cc1ccccc1)C(=O)Cc1noc([C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 445778921 ANKHVKIQYLKWSP-OAHLLOKOSA-N 426.498 4.422 5 20 IIBD COc1ccc(NC(=O)CNc2cc(Br)cc(C(F)(F)F)c2)c([N+](=O)[O-])c1 462180827 NQKNWMUXRIGWHH-UHFFFAOYSA-N 448.195 4.435 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 462761169 NAPVZFXACHWNLX-MOPGFXCFSA-N 441.528 4.284 5 20 IIBD CCO[C@H](C)c1noc(CN(C)C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)n1 464030830 VJOVUECCXNRMSG-CQSZACIVSA-N 425.445 4.091 5 20 IIBD COc1cc(S(=O)(=O)Nc2ccc3nc(-c4ccc(F)cc4)oc3c2)ccc1[N+](=O)[O-] 468903045 JOTIDTRITJRVJG-UHFFFAOYSA-N 443.412 4.352 5 20 IIBD O=C1CCC(=O)N1c1ccc(C(=O)N(Cc2ccc3ccccc3c2)C2CC2)cc1[N+](=O)[O-] 469021784 RPWMBPQLPYZSAM-UHFFFAOYSA-N 443.459 4.206 5 20 IIBD COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 470018339 NUSKFWLRWLTSMB-FQEVSTJZSA-N 449.385 4.056 5 20 IIBD O=C(NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1)Nc1cc(F)cc([N+](=O)[O-])c1 470130346 BSDLTIUDIKZRJG-UHFFFAOYSA-N 426.379 4.447 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O 470974315 JGQXMMWERKYHRP-UHFFFAOYSA-N 449.394 4.186 5 20 IIBD Cc1c(C(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)nnn1-c1cccc([N+](=O)[O-])c1 472280462 XROZLWDZPXPDQD-OAQYLSRUSA-N 448.870 4.052 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 475564700 JZXGQXCBVLLVIY-UHFFFAOYSA-N 431.880 4.143 5 20 IIBD C[C@H](Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(OCC(=O)NC2CC2)cc1 478351575 GEZDHKCVFYWJDD-LBPRGKRZSA-N 434.290 4.188 5 20 IIBD O=C(c1ccc(N2CCC(c3cccc(Cl)c3)CC2)c([N+](=O)[O-])c1)N1CCOCC1 480772001 DNHZCEOLNOGQHF-UHFFFAOYSA-N 429.904 4.105 5 20 IIBD Cc1ccc(-c2nnc([C@H](C)N3CCCN(c4nc5ccc([N+](=O)[O-])cc5[nH]4)CC3)o2)cc1 481195132 XGQXZOGQPPFTEE-INIZCTEOSA-N 447.499 4.103 5 20 IIBD Cn1c([C@@H](NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c2ccccc2)nc2ccccc21 481429313 YIUBEECSZTYDKS-QFIPXVFZSA-N 440.463 4.411 5 20 IIBD C[C@H]1CN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@]2(CCCOC2)O1 482448623 GOVCPYMPOJHPBN-DFBJGRDBSA-N 448.523 4.217 5 20 IIBD COc1ccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1N1CCCCC1=O 482930582 JXELYLKIKCQBEY-UHFFFAOYSA-N 438.484 4.317 5 20 IIBD CCc1nc(CCNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])sc1C 486542566 SOIYPABWXQYILY-UHFFFAOYSA-N 425.510 4.474 5 20 IIBD O=C(NCc1nncn1-c1ccccc1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 486829402 XKAPCURCCVZXFJ-UHFFFAOYSA-N 431.477 4.257 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCC(Oc3ccc(C)c(C)c3)CC2)c(C)c([N+](=O)[O-])c1 486856977 IZTNLRDQKZONJQ-UHFFFAOYSA-N 441.484 4.382 5 20 IIBD C[C@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1ccc(-c2ccncc2)cc1 491255691 OEAIRUMYLSIEMB-INIZCTEOSA-N 428.448 4.461 5 20 IIBD C[C@H](NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C(c1ccccc1)c1ccccc1 494684549 ZSBVZJASKZYTFT-SFHVURJKSA-N 433.512 4.358 5 20 IIBD C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 499268775 SWOYVIUREWMAMC-ZDUSSCGKSA-N 425.466 4.198 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(-c3ccc(S(=O)(=O)Nc4ccccc4F)cc3)n2)c1 505039080 MNJDIWBZCNSXFI-UHFFFAOYSA-N 440.412 4.252 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@H](c3nc(C)no3)C2)c([N+](=O)[O-])c1 505541119 VKTWISWACPYUHQ-RXVVDRJESA-N 435.484 4.154 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)Nc2ccc3c(c2)CC(=O)N3)cc1[N+](=O)[O-] 505959431 OSNOFAPTWSBGNT-UHFFFAOYSA-N 447.472 4.295 5 20 IIBD CC[C@@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(OC)c(OC)c1 509601455 LIBMNIUAOZJEKJ-HXUWFJFHSA-N 443.500 4.316 5 20 IIBD Cc1c(Br)cc(C(=O)N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc1[N+](=O)[O-] 509994430 MVIGKEVSTWBYBL-NSHDSACASA-N 432.274 4.041 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C(=O)N[C@@](C)(c2ccc(F)cc2Cl)C1=O 511108891 NLTQRCKXLQLXSD-FQEVSTJZSA-N 435.839 4.142 5 20 IIBD COc1cc(C(=O)N[C@H](C)C2=CCN(C)CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 512134860 ZDHLJEIQKHITCG-CQSZACIVSA-N 445.903 4.429 5 20 IIBD C[C@@H]1C[C@H](N2CCCC2)CN1[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 512153880 VWPBHGVCIYGXJJ-GTCCEBARSA-N 442.947 4.487 5 20 IIBD CCCOc1cc(NC(=O)Cc2nnc(O)c3ccccc23)c([N+](=O)[O-])cc1OCCC 514721264 ZFIOUURWJBCBLS-UHFFFAOYSA-N 440.456 4.002 5 20 IIBD CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 519050021 UITKCHRLNHLIBV-HNNXBMFYSA-N 435.484 4.084 5 20 IIBD O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 522569669 WRGVYNYNHHFPEQ-HNNXBMFYSA-N 435.415 4.285 5 20 IIBD C[C@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)COCc1ccccc1 522620277 XQQRVXXJSKPCHZ-OAHLLOKOSA-N 428.876 4.059 5 20 IIBD COC(=O)c1ccc(Br)c(C)c1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 525286399 LVSJLIQWDSGMQE-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD O=C(Nc1cc(Cl)cc(Br)c1O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 531133759 IRIVGWYDGLSGDX-UHFFFAOYSA-N 437.637 4.154 5 20 IIBD Cc1nnc(-c2cccc(C(=O)Nc3ccc([N+](=O)[O-])cc3C(=O)c3ccccc3)c2)o1 532335723 MSPZSOWIQURIFK-UHFFFAOYSA-N 428.404 4.437 5 20 IIBD CC[C@H](CO)NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3c3cccnc23)cc1 532676768 YEDUWMGCJIQNSG-LJQANCHMSA-N 427.504 4.070 5 20 IIBD CS(=O)(=O)c1cc(C(=O)N(Cc2ccccc2F)C2CCCCC2)cc([N+](=O)[O-])c1 533256967 FZEAGNYUUVDDKK-UHFFFAOYSA-N 434.489 4.113 5 20 IIBD COc1ccc(C[C@@H](C)CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC 534221400 XBTWKTGDRDUWQK-GFCCVEGCSA-N 426.391 4.239 5 20 IIBD C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 535394494 DNFNUZSQOFLTFP-SECBINFHSA-N 430.675 4.241 5 20 IIBD C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC1(c2ccc(Cl)cc2)CCOCC1 536883592 XCCNCWDIUFUWFN-MRXNPFEDSA-N 431.920 4.303 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1 537156968 HNSMLMZGUDCXKN-UHFFFAOYSA-N 426.491 4.031 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(NCCc2cccc(OCc3ccccc3)c2)s1 538788260 RQQHTNCRLPQYNV-UHFFFAOYSA-N 432.523 4.293 5 20 IIBD Cc1ccc([C@H](CC(=O)OC(C)C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 540468317 LATZPKSSKXEHAY-IBGZPJMESA-N 433.892 4.168 5 20 IIBD O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)Nc1ccc([N+](=O)[O-])cc1F 542719748 LQZHPAIAQGEJCE-GFCCVEGCSA-N 437.269 4.144 5 20 IIBD CCN(CC)CCCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 543023770 ZZNXDFKXIZCBCT-UHFFFAOYSA-N 426.355 4.332 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 543513344 KWNAGUWTHBQOGL-UGSOOPFHSA-N 431.489 4.256 5 20 IIBD Cc1[nH]c2ccc(-c3noc(CCCn4c(=O)oc5cc([N+](=O)[O-])ccc54)n3)cc2c1C 544326786 ZTEDAQLCQPDVQR-UHFFFAOYSA-N 433.424 4.284 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C 544479235 NXNQJYYQRNBXQJ-LBPRGKRZSA-N 444.488 4.464 5 20 IIBD COc1cccc(Oc2ncccc2CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c1 555123133 NLCOKROAUREFFN-UHFFFAOYSA-N 436.468 4.175 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@@H]2CCOC3(CCOCC3)C2)cc1 557844093 NEIXCWNTGPJXCG-OAQYLSRUSA-N 448.523 4.265 5 20 IIBD C[C@@H](C(=O)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1)c1ccc([N+](=O)[O-])cc1F 561846235 LXBXMCUBGCJBQU-KZULUSFZSA-N 442.365 4.336 5 20 IIBD COc1cc(CN2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)c([N+](=O)[O-])cc1OC 579291442 PXZHZGWSBZILEI-LJQANCHMSA-N 442.390 4.084 5 20 IIBD CCOC(=O)c1cc(COC)cc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 590449924 NNCSBXJOGZQYCS-UHFFFAOYSA-N 426.347 4.189 5 20 IIBD O=C(Nc1cccc(S(=O)(=O)C2CCOCC2)c1)c1cc2cc([N+](=O)[O-])ccc2s1 590525525 DUPYXYCBINHNTC-UHFFFAOYSA-N 446.506 4.015 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CSc3n[nH]c(COc4ccc(Cl)cc4)n3)o2)cc1 594669773 BMLNTVLJNYZRLP-UHFFFAOYSA-N 444.860 4.288 5 20 IIBD CCOc1cc(NC(=O)c2cnn(-c3ccccn3)c2C(C)C)c([N+](=O)[O-])cc1OCC 603616867 RMGBNDMAYZEUIX-UHFFFAOYSA-N 439.472 4.349 5 20 IIBD COc1cc(CCNC(=O)Nc2ccc(C)c(Br)c2)c([N+](=O)[O-])cc1OC 603654798 JMUFFLCJSWGWKX-UHFFFAOYSA-N 438.278 4.047 5 20 IIBD C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1cccc(NC(=O)Cc2ccccc2F)c1 603904539 UOHWRDCIFGRZHO-CQSZACIVSA-N 437.427 4.112 5 20 IIBD COc1cc(Br)cc(C)c1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 604454734 UPFFEQZTADABGN-UHFFFAOYSA-N 449.305 4.028 5 20 IIBD C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 604476859 SNCIWTLGMYGNOM-INIZCTEOSA-N 449.536 4.065 5 20 IIBD O=C(NCc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609550371 VFACDRGPYGSWFV-UHFFFAOYSA-N 439.431 4.322 5 20 IIBD CCN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H](c1cccnc1)c1ccc(F)cc1F 609580154 VCQQCRIKAIYJCB-NRFANRHFSA-N 441.390 4.248 5 20 IIBD COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 609995891 OIIUAQUJAQMHQC-LIRRHRJNSA-N 447.919 4.279 5 20 IIBD Cc1ccc(NCCCNC(=O)Nc2ccccc2C(=O)N2CCCCC2)c([N+](=O)[O-])c1 610091880 GWFYYOIZARNPDJ-UHFFFAOYSA-N 439.516 4.153 5 20 IIBD CN(C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 611090922 UTDKOPVSUVBNBQ-IEBWSBKVSA-N 435.402 4.186 5 20 IIBD CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 672790931 NXKJMPYIANKIDZ-IBGZPJMESA-N 447.485 4.306 5 20 IIBD COc1cc(CNC[C@H](O)c2cccc(F)c2)c([N+](=O)[O-])cc1OCc1ccccc1 725847588 GEIOIBFCWOEREQ-NRFANRHFSA-N 426.444 4.145 5 20 IIBD COc1cc(Br)c(CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1OC 727222647 IGWUMYRTCNNKPI-UHFFFAOYSA-N 444.669 4.350 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Oc1cccc(C(F)(F)F)c1 727758283 DBRVMVJPRGBWND-UHFFFAOYSA-N 426.166 4.144 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 727932697 WBWWBXXTRBKCNC-CHWSQXEVSA-N 439.251 4.196 5 20 IIBD Cc1c(C(=O)OCc2coc(-c3ccc(F)c(F)c3)n2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 728625621 HAKCKJGIUFFIHQ-UHFFFAOYSA-N 433.323 4.410 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 731632582 MSCHOIJRAFCNIW-NRFANRHFSA-N 432.860 4.106 5 20 IIBD C[C@H](ONC(=N)c1ccccc1OCc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 733305332 BIJZOYJCVAPBAN-INIZCTEOSA-N 434.452 4.048 5 20 IIBD C[C@H](OC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc2ncccc12 735149068 POGJMOVGHSDXTG-ZDUSSCGKSA-N 443.843 4.136 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)OCc1ncc(-c2cccc(Br)c2)o1 741817287 CXNFPAWBASMRKH-UHFFFAOYSA-N 433.214 4.135 5 20 IIBD COc1ccc(OCCOC(=O)c2c(-c3ccccc3Cl)noc2C)c([N+](=O)[O-])c1 744495892 SIXBQFDVRABAJX-UHFFFAOYSA-N 432.816 4.456 5 20 IIBD Cc1ncc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c(C(C)C)n1 745038953 SXKZFQHORIYPOI-JTQLQIEISA-N 440.378 4.019 5 20 IIBD C[C@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 745074971 YAKRWLSLODXZOY-LBPRGKRZSA-N 440.374 4.341 5 20 IIBD C/C(=C/C(=O)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccc(C(F)(F)F)c1 745487912 STNCAHMAERHCKF-LCYFTJDESA-N 434.370 4.149 5 20 IIBD Cc1ccc(Br)cc1NC(=O)CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 748670564 ZQAWCBJMLLWUSB-UHFFFAOYSA-N 440.681 4.078 5 20 IIBD CC[C@@H](OC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])C(=O)c1ccc(NC(C)=O)cc1 748886429 TWWWTPWPJKZDAS-QGZVFWFLSA-N 446.481 4.102 5 20 IIBD COc1cccc(-n2c(SC[C@H](O)c3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)c1 749641168 SERHQKXJSKJZBW-NRFANRHFSA-N 449.488 4.128 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N1CC[C@@H]([C@H]2CCOC2)C1 750260759 HBOPMEGLJUDSPE-WWMYMODYSA-N 429.904 4.286 5 20 IIBD C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](O)c1c(F)cccc1Cl 752614811 IDEJVHXDLGPJLH-HUTHGQBESA-N 433.288 4.371 5 20 IIBD COC(=O)c1cc(NC(=O)N2Cc3ccc(Br)cc3C2)c(C)c([N+](=O)[O-])c1 753130946 PIOPHWXSOCEAOK-UHFFFAOYSA-N 434.246 4.000 5 20 IIBD CCC(CC)(CO)CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 753734066 CVQFDEVFJQXPJQ-UHFFFAOYSA-N 433.892 4.029 5 20 IIBD O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)c1cc(F)cc([N+](=O)[O-])c1Br 755015577 DWXRZLLGHLMEMB-GFCCVEGCSA-N 442.672 4.159 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 755025332 VBKOKABUSVZOKU-UHFFFAOYSA-N 430.511 4.092 5 20 IIBD CC(C)(C)OC(=O)Nc1ccccc1CC(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1 756461638 PKBCRRUHUYMXFC-UHFFFAOYSA-N 427.413 4.369 5 20 IIBD O=C1CCCN1CC[C@@H]1CN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c2ccccc21 757264089 WHNXVWZWMYUGBV-OAHLLOKOSA-N 442.903 4.074 5 20 IIBD Cc1cc(F)cc(C(=O)Nc2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)c1[N+](=O)[O-] 758498063 XWNOVKCJDQSHIS-UHFFFAOYSA-N 449.504 4.248 5 20 IIBD COc1ccc(-c2nc(C(=O)O[C@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)cs2)cc1 759954283 WMHLQTNGUYTYAJ-SJORKVTESA-N 428.470 4.264 5 20 IIBD CCCn1ccnc1CCCN(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 760624071 XCGOPOZWGSVXIH-UHFFFAOYSA-N 443.729 4.322 5 20 IIBD COc1cc(Cc2noc([C@@H]3CC34CCN(C(=O)OC(C)(C)C)CC4)n2)ccc1[N+](=O)[O-] 762309657 RSVLGFHIAUISON-HNNXBMFYSA-N 444.488 4.082 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc(S(=O)(=O)C(F)F)cc1 763811436 BICLZBMRJKBAPS-UHFFFAOYSA-N 431.438 4.060 5 20 IIBD COc1cc(COC(=O)c2cccc(C(=O)N(C)CC(C)(C)C)c2)c([N+](=O)[O-])cc1F 766206558 IRVGWNVGBXOXOP-UHFFFAOYSA-N 432.448 4.218 5 20 IIBD COC(=O)c1ccc(-c2nc(COC(=O)c3ccc([N+](=O)[O-])c4cccnc34)cs2)cc1 766231732 WGIJVNUFSQWOOA-UHFFFAOYSA-N 449.444 4.410 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(C[C@](O)(c3nc4ccccc4s3)C(F)(F)F)n2)c1 766246036 UUDXSCCLTYHBAE-KRWDZBQOSA-N 436.371 4.247 5 20 IIBD Cc1cc(S(=O)(=O)Oc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)ccc1[N+](=O)[O-] 767600615 ZZVYWNQFWWWRNO-AWEZNQCLSA-N 436.486 4.257 5 20 IIBD O=C(Nc1nc(-c2ccc(F)cc2)ns1)c1sc(Br)cc1[N+](=O)[O-] 770485653 VNIGHKKBNPWLCY-UHFFFAOYSA-N 429.252 4.329 5 20 IIBD CCn1c(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])nc2ccc(Br)cc21 770906719 WKGYCXYWHKPPGP-UHFFFAOYSA-N 425.189 4.257 5 20 IIBD Cc1cc(S(=O)(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc([N+](=O)[O-])c1F 771753129 WRBHNSOEQDUMAY-MRXNPFEDSA-N 446.460 4.008 5 20 IIBD O=C(O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 776131143 CNGFESRNTVWJSU-NRFANRHFSA-N 445.391 4.030 5 20 IIBD O=C(CCc1nc(-c2ccsc2)no1)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776133574 NTDMITQTBFJLEL-FQEVSTJZSA-N 436.449 4.367 5 20 IIBD CN(C(=O)c1cccc(C(=O)O[C@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)c1)c1ccccc1 778783989 SJPDWDVUMCPYJB-QHCPKHFHSA-N 445.475 4.307 5 20 IIBD O=C(NCCCOc1ccccc1F)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 780281302 HKHMSWFNROIWJK-UHFFFAOYSA-N 426.394 4.298 5 20 IIBD O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N(Cc1cccnc1)c1ccc(Cl)cc1 781620030 XFTIOTXBSPTGQU-OAQYLSRUSA-N 436.855 4.370 5 20 IIBD O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781798169 MLYZAARJURYCOH-DOTOQJQBSA-N 425.338 4.037 5 20 IIBD CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 783720425 SEONODHJOHEYTA-UHFFFAOYSA-N 428.327 4.237 5 20 IIBD CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 787338627 DOYGPDJBYCIXSX-GOSISDBHSA-N 425.407 4.187 5 20 IIBD O=C(Nc1ccccc1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)OCc1ccccc1 787503189 RIRXLEMKBADLAE-UHFFFAOYSA-N 447.447 4.247 5 20 IIBD CC[C@@](C)(NC(=O)Nc1ccc([N+](=O)[O-])c(I)c1)c1nccs1 787810288 VGDHPXNYLQJCKO-CQSZACIVSA-N 446.270 4.103 5 20 IIBD O=[N+]([O-])c1ccc(Br)c2c1CN(Cn1nc(C3CC3)sc1=S)CC2 789484124 WICLOGHVGOCUTL-UHFFFAOYSA-N 427.349 4.238 5 20 IIBD O=C(COc1cc(F)c(Br)cc1[N+](=O)[O-])Nc1ccccc1OC(F)F 790295983 PTYFGOCIZNVAFO-UHFFFAOYSA-N 435.152 4.115 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 790881709 DTALGCRKDCISQX-CHWSQXEVSA-N 443.903 4.082 5 20 IIBD CCc1cc(O)ccc1NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] 791157865 RWYPNUMLQKCJNP-UHFFFAOYSA-N 429.454 4.159 5 20 IIBD CCOc1c(Cl)cccc1CC(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 791804629 JELFHWLXCMUMQF-MRXNPFEDSA-N 446.887 4.037 5 20 IIBD C[C@H](NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 792837665 BDVVAEAURRZTAT-PKOBYXMFSA-N 440.500 4.004 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)Nc2cc(-c3ccc(C)o3)ccc2C)cc1[N+](=O)[O-] 794601061 OEMDAPJEVQVRMV-UHFFFAOYSA-N 445.453 4.451 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 795077873 FWUKENOXWSHJSF-UHFFFAOYSA-N 438.444 4.288 5 20 IIBD CC(C)(C)OC(=O)NCc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 796036673 IBCYFPKVKQPPGN-UHFFFAOYSA-N 442.877 4.041 5 20 IIBD CC(C)c1[nH]nc(C(=O)O[C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)c1[N+](=O)[O-] 796260410 SYGFWOFBCLOFOG-CQSZACIVSA-N 438.440 4.418 5 20 IIBD C[C@@H](Nc1ccc(C(=O)OCc2cncn2CC(F)(F)F)cc1[N+](=O)[O-])c1ccccn1 797118146 DUWCVAKEWQACDA-CYBMUJFWSA-N 449.389 4.279 5 20 IIBD Cc1sc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])nc1-c1ccc2c(c1)CCC(=O)N2 798659247 MFEJHPKWZGBZAZ-UHFFFAOYSA-N 444.419 4.442 5 20 IIBD O=c1ccccn1C[C@@H](NCc1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 800314457 VSESWWODXBNSDK-GOSISDBHSA-N 428.286 4.050 5 20 IIBD Cc1ccc(-c2cncc(F)c2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 801093808 ZMSSYRJCJDFPME-UHFFFAOYSA-N 436.443 4.193 5 20 IIBD O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 801248684 CYIYYJOPTHTCDN-UHFFFAOYSA-N 444.793 4.271 5 20 IIBD CON(CC1CCOCC1)[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 801603564 BFXXIMBAAMGJLC-HXUWFJFHSA-N 433.892 4.218 5 20 IIBD C[C@@H](Cn1ccc2ccccc21)C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 803794151 NYWDLYATIXVJGU-KBPBESRZSA-N 429.860 4.409 5 20 IIBD CN(Cc1ccc(OC(F)F)cc1)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl 809387335 YXKPGSKHMBSJKZ-UHFFFAOYSA-N 441.239 4.324 5 20 IIBD CSc1nnc(CCCNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)n1C1CCCC1 809916232 ILSVZJMAOGKDOH-UHFFFAOYSA-N 438.941 4.431 5 20 IIBD Cc1ccc(CCC(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)s1 811254920 IYLSYDJLQJANQL-NSHDSACASA-N 430.404 4.487 5 20 IIBD C[C@@H](NC(=O)N1CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1cccc([N+](=O)[O-])c1 811864941 QCGXCEDVBVVRJI-VQIMIIECSA-N 446.548 4.334 5 20 IIBD O=C(O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)c1cnc(Cc2ccccc2F)s1 813174606 ZPNXYFNDGPQJSS-SFHVURJKSA-N 441.484 4.213 5 20 IIBD O=C(NC1CCN(C(=O)c2ccccc2F)CC1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813409888 VXEMXDZVBSQSRP-UHFFFAOYSA-N 440.258 4.075 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N[C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)cc1[N+](=O)[O-] 813669878 LUGYCYQPRZQDNL-YJBOKZPZSA-N 432.521 4.053 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)ccc1[N+](=O)[O-] 814430898 JKXOUYFPRLILBJ-RTBURBONSA-N 431.533 4.403 5 20 IIBD O=C(COc1ccc2ccccc2c1Br)OCC(=O)c1ccc([N+](=O)[O-])cc1 844159852 LKEBYLONABAZBW-UHFFFAOYSA-N 444.237 4.315 5 20 IIBD CN(c1ccc(OC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1)S(=O)(=O)c1cccs1 857834731 UPIGUPHUHISHBX-MLPAPPSSSA-N 444.490 4.100 5 20 IIBD Cc1cccc(CN(Cc2ccco2)C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 914497899 CMEMMUJTMPEOLF-UHFFFAOYSA-N 435.480 4.175 5 20 IIBD O=C(Oc1ccc(NC(=O)c2cccs2)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 915809565 SICCUXQQURRZKX-UHFFFAOYSA-N 434.433 4.314 5 20 IIBD COc1cccc([C@@H](C)Nc2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])c1 917091580 YFDXQLXLOPIMDF-SECBINFHSA-N 426.223 4.456 5 20 IIBD COC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 917938436 NCDOVOAQWALJQE-JTQLQIEISA-N 426.351 4.231 5 20 IIBD COc1cccc(Cc2cnc(NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)s2)c1 918629286 UMILJVJARKOIDA-UHFFFAOYSA-N 426.498 4.482 5 20 IIBD Cc1ccccc1C1(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CCOCC1 920014941 JXGORENJVIXESJ-UHFFFAOYSA-N 437.540 4.372 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2sc3ccc(F)cc3c2C)c([N+](=O)[O-])c1 920552105 JHPDPZZVPUCATI-LLVKDONJSA-N 432.429 4.450 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@@H]3CC3(F)F)CCC2)cc1)c1ccc([N+](=O)[O-])cc1F 1790621831 KWQZLXOSSXQJIK-INIZCTEOSA-N 433.386 4.137 5 20 IIBD CCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1C)CC2 1812593366 FYCDFTVXTWQRBL-GFCCVEGCSA-N 436.921 4.039 5 20 IIBD CC1=CC[C@@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)CC1 1823614673 RVHDSGUQLTWQAT-MOPGFXCFSA-N 429.517 4.168 5 20 IIBD C[C@@H]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1828481128 WDUWZNTUFAEXQO-WGYPMGCCSA-N 443.544 4.257 5 20 IIBD COc1ccc([N+](=O)[O-])cc1OCC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 9751902 JALVHJZTNRETGO-UHFFFAOYSA-N 449.179 4.402 5 20 IIBD O=C(COC(=O)COc1ccccc1[N+](=O)[O-])Nc1c(Cl)cc(Cl)cc1Cl 11113354 YNNLNULBWCIOTR-UHFFFAOYSA-N 433.631 4.116 5 20 IIBD C[C@@H](c1cccs1)N(C)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 16273168 JTNIZSKOHAEHES-AWEZNQCLSA-N 445.522 4.290 5 20 IIBD CCCCOc1ccc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1OCC 18077113 HOWROTIINMGMSV-UHFFFAOYSA-N 427.501 4.135 5 20 IIBD C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1)c1cccc([N+](=O)[O-])c1 25721535 WLORDSQNDOUPFX-CVEARBPZSA-N 432.498 4.076 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 31969032 PRVRPVVVNWFAGF-QFIPXVFZSA-N 437.883 4.274 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 64736535 FDEKKPRGIINNNX-KPZWWZAWSA-N 425.268 4.269 5 20 IIBD O=C(Nc1cccc(F)c1)c1cccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1 71981314 DKULRKJFISUKBA-UHFFFAOYSA-N 445.410 4.424 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)NC2(c3ccc(Cl)cc3)CCC2)cc1[N+](=O)[O-] 72024427 UWQRYSGAOOJXSK-UHFFFAOYSA-N 443.916 4.337 5 20 IIBD CCOc1cc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)ccc1OC(F)F 236862062 JHIANOMSXPOSNK-UHFFFAOYSA-N 432.427 4.285 5 20 IIBD Cc1nn(CCC(=O)N2CCCN(Cc3ccccc3)c3ccccc32)c(C)c1[N+](=O)[O-] 303768240 QFXHMPUEGWGIEH-UHFFFAOYSA-N 433.512 4.242 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Br)cc1Br 389890282 NLURTEYUYZQQJO-UHFFFAOYSA-N 430.052 4.381 5 20 IIBD COc1ccc(Cl)cc1NCCC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 427599101 LYCGZZWCLCGUFK-UHFFFAOYSA-N 431.798 4.394 5 20 IIBD Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)n2)c1 428387776 UVDZHYHBVHMBGU-HNNXBMFYSA-N 444.451 4.367 5 20 IIBD Cc1ccc([C@H](C)N(C)C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c(C)c1 430314368 YETHPNLMMSXFBG-AWEZNQCLSA-N 448.317 4.441 5 20 IIBD COc1ccc(CNC(=O)c2cc(C(F)(F)F)ccc2Br)cc1[N+](=O)[O-] 431778064 GKDVUQQPJZECGO-UHFFFAOYSA-N 433.180 4.315 5 20 IIBD COCc1nc2cc(N[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)ccc2o1 432345867 HQLDCYWWCYYFFM-JTQLQIEISA-N 438.362 4.340 5 20 IIBD O=C(NCCc1nc(-c2ccncc2)cs1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 436372813 RGRWWGLQCKKUIP-UHFFFAOYSA-N 444.491 4.311 5 20 IIBD O=c1[nH]c(CN2CCc3ccc([N+](=O)[O-])cc3C2)nc2cc(-c3ccc(F)cc3)sc12 438524510 URSMBQOPUHZVHW-UHFFFAOYSA-N 436.468 4.257 5 20 IIBD CCC(CC)NC(=O)[C@H]1CN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c2ccccc2O1 439107742 QJODYIOUKBEKDY-JOCHJYFZSA-N 439.512 4.431 5 20 IIBD CCOc1ccccc1NC(=O)Cc1noc([C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 445350072 LKGSEIZXWDDUKF-CYBMUJFWSA-N 428.470 4.411 5 20 IIBD COc1ccc2ccccc2c1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br 445691933 MZMITJMBCRUJFH-UHFFFAOYSA-N 429.270 4.378 5 20 IIBD CCCOc1ccc([C@@H](C)Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])cc1OC 447816519 JOGGWRBTXYARJR-QGZVFWFLSA-N 429.517 4.398 5 20 IIBD C[C@@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])Oc1ccccc1Cl 460433792 DZCPCKSOHYZSQD-NSHDSACASA-N 432.782 4.387 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCc4sccc4C3)n2C[C@@H]2CCCCO2)c1 461865674 JTVAPSIBIPJFMW-SFHVURJKSA-N 425.514 4.047 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(Cc2nc3ccccc3s2)CC1 462411179 WUNAIORIZXGLND-SFHVURJKSA-N 438.553 4.118 5 20 IIBD CNS(=O)(=O)c1ccc(N[C@@H](C)c2ccc(-c3ccccc3OC)cc2)c([N+](=O)[O-])c1 462888393 OFIXDTQFBXBSBT-HNNXBMFYSA-N 441.509 4.352 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 464022026 KJJLWEJEGWJWIO-UHFFFAOYSA-N 435.402 4.360 5 20 IIBD O=C(Nc1ccc(Cc2nnc3n2CCCCC3)cc1)c1cc(Cl)cc([N+](=O)[O-])c1 464110431 MSSMUCBFUJLOTF-UHFFFAOYSA-N 425.876 4.409 5 20 IIBD CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 465199653 XJRFOMFSYFMJCO-ZDUSSCGKSA-N 445.501 4.107 5 20 IIBD Cc1sc(S(=O)(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)cc1[N+](=O)[O-] 467079582 PPWFOZNJWFXZDU-MRXNPFEDSA-N 437.930 4.275 5 20 IIBD CCOC(=O)c1cc(NCC2CCN(Cc3csc(CC)n3)CC2)ccc1[N+](=O)[O-] 467803839 UFYDAVFFKLSETG-UHFFFAOYSA-N 432.546 4.115 5 20 IIBD COc1ccccc1-c1ccc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1 469141416 KKJKRFKCCDZOLC-OAHLLOKOSA-N 442.493 4.319 5 20 IIBD C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 469448619 RRECZNZAIJLNRA-INIZCTEOSA-N 435.480 4.252 5 20 IIBD COc1cc(CCNC(=O)NC(C)(C)c2cccc(Cl)c2F)c([N+](=O)[O-])cc1OC 473898703 XUAIQWSXQLMJPC-UHFFFAOYSA-N 439.871 4.182 5 20 IIBD COc1ccc(Br)cc1-c1nc(Cn2cc([N+](=O)[O-])c(C)cc2=O)cs1 474399617 ZNTJMBPQYIVSNL-UHFFFAOYSA-N 436.287 4.008 5 20 IIBD COc1c(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)cccc1[N+](=O)[O-] 476534489 LSQACWLOWTYFBM-UHFFFAOYSA-N 430.848 4.358 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1 477125851 YORHFSJRNNZIAX-UHFFFAOYSA-N 430.379 4.231 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3cc(F)cc(C(F)(F)F)c3)CC2)ccc1[N+](=O)[O-] 477374997 OULQFKZTCMPCIN-UHFFFAOYSA-N 441.381 4.114 5 20 IIBD O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 477877191 KGIDPTJDAGFENI-GOSISDBHSA-N 428.395 4.189 5 20 IIBD Cc1c(CNC(=O)NCc2cc(Br)ccc2OC(F)F)cccc1[N+](=O)[O-] 478965631 RIXIUZYDZNBNPY-UHFFFAOYSA-N 444.232 4.267 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(/C=C\c3ccco3)s2)c(C(F)(F)F)c1 479195183 PLKFMTFULAWZEP-XQRVVYSFSA-N 446.388 4.029 5 20 IIBD CCCc1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)cnn1-c1cc(F)c(OC)cc1F 483005866 VJWPMDXNCFCTDJ-UHFFFAOYSA-N 448.401 4.340 5 20 IIBD COC(=O)CCCOc1ccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 486494554 XRLDVZDXJYUBRU-UHFFFAOYSA-N 441.465 4.303 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC2(CC1)OCCc1ccsc12 487421318 QFSBVDKGNMGTFT-UHFFFAOYSA-N 426.416 4.379 5 20 IIBD O=C(Cc1cccs1)Nc1ccccc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 487527158 COQTZXCADUQNDX-UHFFFAOYSA-N 447.476 4.276 5 20 IIBD CCC[C@@]1(COC)CCCN1C(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] 487602119 UXIDQRBPAMDWJN-NRFANRHFSA-N 449.529 4.060 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 488962816 QMECWWPWXMUVMT-UHFFFAOYSA-N 443.410 4.001 5 20 IIBD CC[S@](=O)[C@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 490096519 QZFAWWOHFXHFTC-PTMWSELWSA-N 429.542 4.017 5 20 IIBD COc1ccc(CNC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])cc1OC1CCCC1 490802229 NLDPVASJHJXACX-UHFFFAOYSA-N 428.485 4.319 5 20 IIBD COC(=O)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c2ccccc21 495055352 CSMYYKGDHQJAJC-HXUWFJFHSA-N 431.448 4.124 5 20 IIBD O=C(NCc1ccc(Sc2ccccc2)cc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 495258449 BSTKEZBBDKCACU-UHFFFAOYSA-N 437.525 4.489 5 20 IIBD CC(C)(C)c1ccc([C@H]2CCCN2C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 498426444 URTAZUBCHPMZHK-OAQYLSRUSA-N 438.528 4.055 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)[C@@H](C)c1ccccc1C(F)(F)F 499437788 GFUZTVVMRCREOG-MCIONIFRSA-N 437.418 4.040 5 20 IIBD Cc1nn(C)c(C(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)c1[N+](=O)[O-] 499620237 PXPAVYMGEHHEGL-UHFFFAOYSA-N 434.283 4.181 5 20 IIBD CC(C)c1ccc(C[C@@H](C)NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 500363793 VIRNKTGOCGBRJG-CYBMUJFWSA-N 435.427 4.006 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)ccc1[N+](=O)[O-] 500596299 KDBFRCDZUIKKEL-AKFKNWHVSA-N 445.519 4.355 5 20 IIBD COc1cccc(-n2nc(C)c([C@@H]3COCCN3c3ncc(Cl)cc3[N+](=O)[O-])c2C)c1 500892097 PODSKTYCMURJIH-IBGZPJMESA-N 443.891 4.032 5 20 IIBD CC(C)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 503447962 OJKONNPMBKOWLG-UHFFFAOYSA-N 430.448 4.397 5 20 IIBD CCOC(=O)C(C)(C)C1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 503558333 QNJVXLSYXYSIAL-UHFFFAOYSA-N 445.438 4.125 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1cnc(-c2ccco2)s1)c1ccccc1[N+](=O)[O-] 504386437 AFCCMJNVNCEFHA-CQSZACIVSA-N 429.454 4.124 5 20 IIBD C[C@H](Nc1ccc(F)cc1OC1CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 504424197 MFPBSYIULKENNS-LBPRGKRZSA-N 437.855 4.384 5 20 IIBD CCOC(=O)c1cnn(-c2cccc(NC(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)c2)c1C 509950446 ZHUPZOGQXZEZFH-CQSZACIVSA-N 437.456 4.148 5 20 IIBD O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N2CCCc3c2cccc3[N+](=O)[O-])C1 513838227 NNDZUMVFEGYSFS-MRXNPFEDSA-N 427.888 4.080 5 20 IIBD COc1ccc(C[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)c2ccc(OC)cc2)cc1 514068972 SPKUDHISTWJOLI-DEOSSOPVSA-N 449.507 4.438 5 20 IIBD Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)CCOc1ccccc1[N+](=O)[O-] 515693764 HAHVWZYVALTVPL-UHFFFAOYSA-N 425.485 4.183 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCCN(c3ccccc3Cl)CC2)cc1OC 517258704 NYMXSTODBWHWMQ-UHFFFAOYSA-N 433.892 4.008 5 20 IIBD CC(C)(C)OC(=O)c1cnc(Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cn1 519126220 UIMRCJNNZFIQST-UHFFFAOYSA-N 436.424 4.385 5 20 IIBD COc1cc(C(=O)NCC(=O)OC(C)(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 522344365 WBFLDTKXZNWPOU-UHFFFAOYSA-N 436.848 4.121 5 20 IIBD Cc1cc(S(=O)(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)ccc1[N+](=O)[O-] 522362984 JYWVPKOCUONMTD-NDEPHWFRSA-N 430.507 4.012 5 20 IIBD COC(=O)c1cc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)cc([N+](=O)[O-])c1 522866363 YSHSLRLPZLVTBL-UHFFFAOYSA-N 429.816 4.261 5 20 IIBD O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 522894807 CUHLLMWFOAXYLU-UHFFFAOYSA-N 442.686 4.153 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CCNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 523892689 DSPVZRDSDMKZLN-UHFFFAOYSA-N 435.278 4.124 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 527265283 WYCSSZLQSCQBBJ-HUUCEWRRSA-N 430.530 4.356 5 20 IIBD O=C(N[C@H]1CCN(c2ncccc2F)C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 531273397 SKUIOIVABFHLQH-HNNXBMFYSA-N 438.484 4.289 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(CCCO)Cc1cccc(Cl)c1 533834127 FJMHIJNFDWYHEU-ZDUSSCGKSA-N 427.284 4.080 5 20 IIBD CCOC(=O)c1nn(-c2ccccc2)cc1OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534791221 OTOFCEZZVVWOCE-UHFFFAOYSA-N 434.408 4.191 5 20 IIBD NC(=O)c1ccc(NCc2ccccc2)c(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 535960331 RNTRSBCFMNVDCT-UHFFFAOYSA-N 445.479 4.132 5 20 IIBD COc1ccccc1CC(=O)N1CCC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 535988648 JADOBNKAHHGHNQ-UHFFFAOYSA-N 437.418 4.268 5 20 IIBD O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCN(c2ncccc2F)CC1 536404383 COSOVOVAJQPCTJ-UHFFFAOYSA-N 438.484 4.243 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1nc2cc(F)ccc2n1C 538571738 KPYHNRRRKXHWJK-UHFFFAOYSA-N 430.505 4.485 5 20 IIBD CCN(CCC1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1)CC(C)C 539137790 PXBNKXXOWPUHOK-UHFFFAOYSA-N 427.549 4.001 5 20 IIBD NS(=O)(=O)c1cc(N[C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)cc([N+](=O)[O-])c1 539610815 CSHJUERKOSADSC-IRXDYDNUSA-N 429.420 4.009 5 20 IIBD O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)c1 539638559 LACGJEUQMMVLLR-ZWKOTPCHSA-N 428.432 4.369 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1nc2ccccc2n1CCCn1ccnc1 539890482 YQZYBBHJLYWUDI-UHFFFAOYSA-N 432.484 4.409 5 20 IIBD COC(=O)COc1ccc(NC(=O)CSc2ccccc2[N+](=O)[O-])c2ccccc12 541301705 QDICEKZRSSWTPS-UHFFFAOYSA-N 426.450 4.031 5 20 IIBD CC(C)COc1ncc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1Cl 543093677 OOSFLOZYPPVGMG-UHFFFAOYSA-N 433.892 4.362 5 20 IIBD CN1CCC(N(Cc2ccccc2)C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 543333598 PLISYLKOVMTEEY-UHFFFAOYSA-N 433.961 4.463 5 20 IIBD CCN(CC)C(=O)CCC1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 543925715 LKKADZBTBHRJIH-UHFFFAOYSA-N 444.557 4.219 5 20 IIBD CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 544490728 UUSNVAALZKKPMN-RDTXWAMCSA-N 437.265 4.489 5 20 IIBD NS(=O)(=O)c1cccc(NCc2ccccc2COc2ccccc2Cl)c1[N+](=O)[O-] 544700780 BHVKEHCOLXOSPC-UHFFFAOYSA-N 447.900 4.087 5 20 IIBD Cc1cc(-c2noc(CCNC(=O)c3ccc([N+](=O)[O-])cc3)n2)ccc1N1CCC[C@H](C)C1 545852442 ZNZYYBMGPMGVDT-INIZCTEOSA-N 449.511 4.162 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC(c2nc(Cc3cscn3)no2)CC1 546296822 FYXUFUBDMHUFDD-UHFFFAOYSA-N 439.419 4.428 5 20 IIBD COC(=O)c1ccc(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)nc1 549729804 QJJMULQUFVMPIU-UHFFFAOYSA-N 441.827 4.152 5 20 IIBD Cn1ccnc1[C@@H](NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccc([N+](=O)[O-])cc1 552040713 QYKGJKNIOLJEGK-VXKWHMMOSA-N 439.947 4.498 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCn1cc(Br)cn1 557983957 CAFPGXIZACLPMV-UHFFFAOYSA-N 441.351 4.266 5 20 IIBD O=C(c1cc(Cl)ccc1Cl)N1CCC[C@@H]1c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 561906825 VKGQIHILCHIOAO-MRXNPFEDSA-N 448.266 4.248 5 20 IIBD COc1c(-c2nc(Cc3c(F)ccc(Br)c3F)no2)cccc1[N+](=O)[O-] 564006165 ZTZCRIJXONAGKR-UHFFFAOYSA-N 426.173 4.285 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1c2ccccc2CC12CCOCC2 575323857 HYRUKAQOBDLBFL-VLIAUNLRSA-N 430.888 4.226 5 20 IIBD CC1(C)CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H]1c1cccs1 588146331 MAWXMOFDJFQEFD-CQSZACIVSA-N 431.333 4.191 5 20 IIBD CCC[C@H](NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(F)cc1F 589027348 GJRFTGYCWKREMN-FQEVSTJZSA-N 431.439 4.022 5 20 IIBD COCCOc1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c(C)c1 603976493 CKZYFFKUELLNNK-UHFFFAOYSA-N 428.363 4.122 5 20 IIBD COCCOCc1cccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1 604098398 BCYNRBWQEGOWKI-HDICACEKSA-N 441.528 4.492 5 20 IIBD O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1cnn(-c2ccccc2)c1C(F)(F)F 609202152 ILOCTDMKHNALRC-UHFFFAOYSA-N 442.357 4.442 5 20 IIBD C[C@H](SCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(=O)N[C@H](C)c1ccc(F)cc1 609770595 CMTRCISWWZMEGL-KGLIPLIRSA-N 447.488 4.031 5 20 IIBD CN(CCN(C)c1ccccc1)C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 609857321 GEEGHZKWFLXPOO-UHFFFAOYSA-N 448.310 4.296 5 20 IIBD CCOC(=O)c1ccnc(N(C)CCCc2cc(-c3ccc(F)cc3)no2)c1[N+](=O)[O-] 609962848 IQIBPACVTVOPHW-UHFFFAOYSA-N 428.420 4.030 5 20 IIBD COC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1cccc(C(F)(F)F)c1 610046331 WIQNFIZRMAQLDO-HNNXBMFYSA-N 447.207 4.494 5 20 IIBD O=C(Nc1cc(F)c(F)c(F)c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 610163216 DQSBQLZSTXVLSG-UHFFFAOYSA-N 448.323 4.385 5 20 IIBD O=C1[C@@H](Nc2ncnc3ccc([N+](=O)[O-])cc23)CCCN1Cc1cccc(C(F)(F)F)c1 611714728 YVDGMEIGSSASJA-SFHVURJKSA-N 445.401 4.160 5 20 IIBD COc1ccc([C@H](NC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c2ccccc2)cc1 618339759 KAQHDCFRHYUSJW-JOCHJYFZSA-N 431.452 4.069 5 20 IIBD O=C(N[C@H]1CCN(C2CCCCC2)C1=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] 619656351 ZMYXBTYAICEIQO-SFHVURJKSA-N 439.537 4.409 5 20 IIBD Cc1ccc(-c2csc(NC(=O)[C@@H](NC(=O)c3ccco3)C(C)C)n2)cc1[N+](=O)[O-] 619729360 STXOBAYVRMHMOY-KRWDZBQOSA-N 428.470 4.013 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)OCc1nnc(-c2c(Cl)cccc2Cl)o1 726640632 KXMYLFQAYHBQEP-UHFFFAOYSA-N 442.186 4.213 5 20 IIBD O=C(COC(=O)CCc1ccc(OC(F)(F)F)cc1)Nc1cc(Cl)ccc1[N+](=O)[O-] 727535230 PPVBEEVNMINZJN-UHFFFAOYSA-N 446.765 4.261 5 20 IIBD C[C@@H]1CCc2c(sc3nc(CCC(=O)OCc4c(F)cccc4[N+](=O)[O-])nc(O)c23)C1 728987237 BCEJQLULWUGRFJ-LLVKDONJSA-N 445.472 4.245 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cn2)cc1Br 731779312 ALKZLELXGWYTAW-UHFFFAOYSA-N 434.271 4.220 5 20 IIBD COc1cccc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c1OC1CCCC1 733234137 NNJGFOZABSSZMU-UHFFFAOYSA-N 429.429 4.071 5 20 IIBD CSc1ccc(C(=O)O[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)cc1[N+](=O)[O-] 733378244 LXZLUUSYKVVVEQ-OAHLLOKOSA-N 440.399 4.298 5 20 IIBD C[C@@H]1CCCCN1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 733777461 CGBLPKWCSAUVSX-UXHICEINSA-N 428.577 4.312 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCc1oc2ccccc2c1C 734291726 OTBZUJFCQMFLSL-GOSISDBHSA-N 442.493 4.244 5 20 IIBD C[C@H](OC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)C(=O)N[C@@H](C)c1cc2ccccc2o1 735353204 CRFDNCHYTBSSDW-STQMWFEESA-N 449.419 4.018 5 20 IIBD C[C@]1(c2ccc(Br)s2)NC(=O)N(Cc2cc([N+](=O)[O-])ccc2Cl)C1=O 735415037 AWAXYJHYXQKMDX-OAHLLOKOSA-N 444.694 4.039 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)CN(C)C(=O)c1ccc(Br)s1 735644257 MCPSNOXAOVYLQM-UHFFFAOYSA-N 447.694 4.058 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)OCc2ccccc2NC(=O)c2ccco2)cc1OC 744248244 MSEACEBPUQTNQS-UHFFFAOYSA-N 440.408 4.204 5 20 IIBD C[C@@H](OC(=O)[C@@H]1CCCCN1Cc1ccccc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 745105606 VRRMRQNHHVFXDF-UZLBHIALSA-N 436.468 4.304 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2cc(C(C)C)nn2C)c2ccccc2)c([N+](=O)[O-])c1 747005514 SIACBMZPNFZAPD-OAQYLSRUSA-N 436.468 4.297 5 20 IIBD C[C@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1Cl 747118510 FPXXUTKNHFSCRB-JTQLQIEISA-N 430.766 4.301 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F 748167137 IBZQLTQKLOQSPD-UHFFFAOYSA-N 429.717 4.239 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1 749144881 BKWMUUSQKLQSOR-UHFFFAOYSA-N 444.491 4.045 5 20 IIBD Cc1cccc(OCCCC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c1 750660962 FZSRTJLPBLTSBO-UHFFFAOYSA-N 433.302 4.410 5 20 IIBD COc1ccc(Br)cc1CNC(=O)c1cc([N+](=O)[O-])ccc1Br 751117716 RYFAMCNATNMSCJ-UHFFFAOYSA-N 444.079 4.058 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](N(C)c3ccc(C)cc3)C2)cc1SC 753051888 SCDGJUFNBOZSFP-QGZVFWFLSA-N 429.542 4.375 5 20 IIBD Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 753432318 LXBUEHPEXBLRAJ-CYBMUJFWSA-N 435.274 4.467 5 20 IIBD CC(=O)Nc1cccc(NC(=O)[C@@H](OC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C(C)C)c1 755069655 XDXQNTJVSVNUIC-XCLFUZPHSA-N 445.447 4.002 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 755280407 CMZIQVFPOCHMJT-UHFFFAOYSA-N 438.528 4.371 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)O[C@H](C(=O)Nc1ccccc1C(F)(F)F)C(C)C 755676034 HETASKXXJNHUBK-KRWDZBQOSA-N 440.374 4.442 5 20 IIBD O=C(CC1CCCC1)NC1CCC(C(=O)O[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 759954263 WLXYOCSKVUXMLL-GHBBCFCZSA-N 446.548 4.074 5 20 IIBD COc1ccc(C[C@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3Br)C2)cc1 760837354 GASAGPIFECVCOK-OAHLLOKOSA-N 433.302 4.461 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@H](c2nc(-c3cnc(Oc4ccccc4)cn3)no2)C1 762379667 YKNPXENDXGTBRQ-SFHVURJKSA-N 430.380 4.093 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc2c(cc1Br)OCCO2 764963732 SDMPMJSCAPXTRE-CYBMUJFWSA-N 435.274 4.336 5 20 IIBD COc1cccc([C@@H](O)CN(Cc2ccccc2)Cc2nc3cc([N+](=O)[O-])ccc3o2)c1 766120247 KQINMUCIEQBEHS-QFIPXVFZSA-N 433.464 4.480 5 20 IIBD O=C(NC[C@H](O)c1ccc(-c2ccccc2)cc1)c1cc([N+](=O)[O-])ccc1N1CCCC1 768560148 KFYKDFAHHXBZSR-DEOSSOPVSA-N 431.492 4.325 5 20 IIBD O=C(COc1c(Br)cccc1[N+](=O)[O-])Nc1ccc(N2CCCCC2)cc1 769870143 DVEXVOXCVDZCSP-UHFFFAOYSA-N 434.290 4.365 5 20 IIBD O=C(Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)c1cc(F)c([N+](=O)[O-])cc1F 770424756 CRGWRCATYYDACS-UHFFFAOYSA-N 446.431 4.240 5 20 IIBD Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1cc(Br)cc([N+](=O)[O-])c1 770474628 CDBFYFIOUJZOFV-PKOBYXMFSA-N 430.302 4.114 5 20 IIBD Cc1c(C(=O)NC(C)(C)COc2ncc(Cl)cc2Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] 772233251 QSOSFKTWBXGFPW-UHFFFAOYSA-N 443.243 4.101 5 20 IIBD CC(C)([C@H](OC(=O)C[C@H]1CSCCS1)c1ccc(Br)cc1)[N+](=O)[O-] 774375370 SZANZYMNYDWQBI-DZGCQCFKSA-N 434.377 4.327 5 20 IIBD O=C(Nc1cccc(F)c1)C1CCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 774635338 HEPFUSMKUHGSHJ-UHFFFAOYSA-N 431.855 4.045 5 20 IIBD C[C@H](CCS(C)(=O)=O)OC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 774838494 BJZDQZRWNADSOD-GFCCVEGCSA-N 443.930 4.379 5 20 IIBD COC(=O)N1CCC([C@@H](C)NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 776808771 UOZXHHMALFYDLU-OAHLLOKOSA-N 431.464 4.483 5 20 IIBD COCc1nc(OC)c2c(C)c(C(=O)OCc3ccc([N+](=O)[O-])cc3Cl)sc2n1 778335128 TZQGHXYUAPAFIP-UHFFFAOYSA-N 437.861 4.073 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 781004011 IRAWEIBZRLHTMT-RDJZCZTQSA-N 435.524 4.057 5 20 IIBD C[C@@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccc(OCC(F)(F)F)cc1 782528953 BBVXVEHYKJASTE-GFCCVEGCSA-N 429.370 4.354 5 20 IIBD C[C@H](Cc1ccccc1)NC(=S)/C(=C(/O)c1cccc([N+](=O)[O-])c1)[n+]1cccc(O)c1 786036697 BRLNYEVWKSPWNO-MRXNPFEDSA-O 436.513 4.020 5 20 IIBD Cc1c(C(=O)Oc2ccc(Oc3ncc(Br)cn3)cc2)cccc1[N+](=O)[O-] 789726003 GLHDFOIMFVPCMY-UHFFFAOYSA-N 430.214 4.467 5 20 IIBD C[C@]12CCN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C[C@@H]1C2(Cl)Cl 790379024 KRAPFHFFCQYSEU-JQWIXIFHSA-N 434.128 4.106 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 790556862 VIVVMKZUQXDCJP-ZDUSSCGKSA-N 445.800 4.344 5 20 IIBD COc1cc(OC)c(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])cc1Br 790947025 XRHVXZYELXHANS-UHFFFAOYSA-N 447.644 4.348 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3cc4c(F)cccc4s3)CC2)ccc1[N+](=O)[O-] 794043392 NDZZCOUKNSJPBL-UHFFFAOYSA-N 429.473 4.310 5 20 IIBD CCC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c1 794596062 RJRBULKAHNAGEQ-UHFFFAOYSA-N 447.694 4.404 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CCO2 794807807 PLDNIRYODQBFCG-UHFFFAOYSA-N 427.457 4.285 5 20 IIBD COc1cc([N+](=O)[O-])ccc1COC(=O)c1nc(C)n(-c2c(Cl)cccc2Cl)n1 797473928 SJPRYVDLYLTLIQ-UHFFFAOYSA-N 437.239 4.156 5 20 IIBD CCCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 800352294 BGPYKEFVSDPFBY-UHFFFAOYSA-N 434.537 4.035 5 20 IIBD CCC[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)c1ccccn1 806768182 XJFORWXYIOTMPH-MRXNPFEDSA-N 436.434 4.241 5 20 IIBD COc1ccc(C(=O)O[C@@H](C)c2ccc(S[C@@H]3CCCCNC3=O)cc2)cc1[N+](=O)[O-] 809051966 XBPTYPIJPDGJTB-VBKZILBWSA-N 444.509 4.282 5 20 IIBD Cc1ccc(C2(c3noc([C@@H]4CC(c5ccccc5[N+](=O)[O-])=NO4)n3)CCOCC2)cc1 809522236 VDFLPGNKXLQOPD-FQEVSTJZSA-N 434.452 4.248 5 20 IIBD CC(C)(C)c1ccc(C(=O)NS(=O)(=O)C2CCC(C(F)(F)F)CC2)cc1[N+](=O)[O-] 810968527 OZEMSWXZZSQJPK-UHFFFAOYSA-N 436.452 4.073 5 20 IIBD Cc1sc(S(=O)(=O)N[C@H](C)c2ccc(C(F)(F)F)nc2Cl)cc1[N+](=O)[O-] 815051134 KHCRSKHOTHLCDT-ZCFIWIBFSA-N 429.829 4.071 5 20 IIBD COc1ccc(CSCC(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1[N+](=O)[O-] 914752679 CAMISCIJLAEBLN-UHFFFAOYSA-N 439.877 4.057 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccccc2SC(F)(F)F)c([N+](=O)[O-])c1 914946567 LOXGQQJMARWLPE-JTQLQIEISA-N 444.387 4.399 5 20 IIBD CN1CCN(c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c(C(F)(F)F)c2)CC1 916089939 VEDNSAKJKHYVSN-UHFFFAOYSA-N 442.825 4.271 5 20 IIBD COc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)N2CCCCC2)cc1 916987348 RVGMBGMQYOLWTM-QHCPKHFHSA-N 438.528 4.135 5 20 IIBD CC1=C(C(=O)OCC(C)C)[C@H](c2csc([N+](=O)[O-])c2)NC(=O)N1Cc1cccs1 917960500 FUEHLYDRAWMGRL-KRWDZBQOSA-N 435.527 4.458 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 918290914 VDGQHDOHEJFNKY-CQSZACIVSA-N 426.860 4.074 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1F)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 919251479 UYSWFIUQTONDDU-UWVGGRQHSA-N 429.231 4.463 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 921269375 FXAACUGIMRFNQI-UHFFFAOYSA-N 444.440 4.179 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(Cn1nc(-c3ccccn3)n(-c3ccccc3)c1=S)C2 1116293035 IHBTWHPFCQKXML-UHFFFAOYSA-N 430.493 4.347 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(C(=O)c2ccccc2)C1 1116468547 KGAVQPRZAWSOHA-QGZVFWFLSA-N 427.526 4.130 5 20 IIBD C[C@H](Oc1cccc(Br)c1)c1nnc(-c2cc3c(c([N+](=O)[O-])c2)OCO3)o1 1261569929 YMGGINUJGHYCLP-VIFPVBQESA-N 434.202 4.276 5 20 IIBD O=C(c1ccc(I)cc1Cl)N1Cc2ccc([N+](=O)[O-])cc2C1 1319176716 FUBHBDCTNBUYRV-UHFFFAOYSA-N 428.613 4.009 5 20 IIBD O=C(CSCc1cccs1)Oc1cc([N+](=O)[O-])ccc1I 1324312307 AWZPPXYGNVVHPU-UHFFFAOYSA-N 435.264 4.100 5 20 IIBD O=C(Nc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1)c1cc(Cl)cc([N+](=O)[O-])c1 1328925560 CEBKGCWIRMBQMN-UHFFFAOYSA-N 449.716 4.269 5 20 IIBD CC(C)CCSc1ccc(-c2nnc(CNC(=O)c3cccnc3)o2)cc1[N+](=O)[O-] 1331889831 REROWHDORBQIBY-UHFFFAOYSA-N 427.486 4.108 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@H](F)c3ccccc3)cc2)CCC1)c1ccc([N+](=O)[O-])[nH]1 1786614152 GFYGKYLAFPXNQP-HXUWFJFHSA-N 436.443 4.381 5 20 IIBD Cc1ocnc1C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)CCC1 1790625756 KMWSUKSBVADYHU-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@H]3C[C@@]3(F)Cl)cc2)CCC1)c1ccc([N+](=O)[O-])cc1F 1791672666 DBLOPEKMKGLWMD-IERDGZPVSA-N 449.841 4.406 5 20 IIBD Cc1cc(C)cc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2cccc([N+](=O)[O-])c2)c1 1792477139 BSHBIKAPBBZZQA-NUNAXRQHSA-N 449.551 4.025 5 20 IIBD C/C=C(/C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 1814846108 KKLKQYBMOUSOKE-KHZYOYQBSA-N 445.907 4.172 5 20 IIBD Cc1cscc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 1827802058 VQCKCGGMJBTRRY-QGZVFWFLSA-N 431.514 4.105 5 20 IIBD CC(C)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cc([N+](=O)[O-])ccc2F)CC1 1831377740 FYBMTBMIVSAUBT-QFIPXVFZSA-N 447.551 4.332 5 20 IIBD O=C(c1cccc2c1oc1ccccc12)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 1840966885 CNPPUSKNJDXZAJ-UHFFFAOYSA-N 445.431 4.218 5 20 IIBD C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)Cc1ccc(Br)cc1 3540529 MXNYKYTWBOFDNI-NSHDSACASA-N 426.698 4.470 5 20 IIBD O=C(COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(OC(F)F)c(Cl)c1 11025431 HIKPWNLLQQFHLL-UHFFFAOYSA-N 435.166 4.299 5 20 IIBD Cc1cc(NC(=O)COC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1Br 11025511 ARTIGNKAAZCDLS-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 15390433 QUPLZHWZAVUENP-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD COc1ccc(C(=O)N2CCC[C@H](C(=O)OCc3ccc([N+](=O)[O-])cc3)C2)c2ccccc12 16915545 QBMSGPSNTDDIJM-SFHVURJKSA-N 448.475 4.352 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20892700 OCWKYXJKDHGWCG-UHFFFAOYSA-N 431.492 4.151 5 20 IIBD O=C(COC(=O)Cc1ccc2ccccc2c1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 24787513 LBTJGVYCMYKUBY-UHFFFAOYSA-N 432.354 4.491 5 20 IIBD CCOc1ccc(C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)cc1[N+](=O)[O-] 25924161 MIRLDPYBZNLACB-UHFFFAOYSA-N 444.285 4.436 5 20 IIBD CCn1c(SCCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1cccs1 26221190 KWQRYGRGRAKSCU-UHFFFAOYSA-N 433.515 4.064 5 20 IIBD COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 58434300 SFFCKVPPKAXBNE-LPHOPBHVSA-N 430.526 4.292 5 20 IIBD CCn1c(SCc2nnnn2-c2c(C)cccc2C)nc2cc3ccccc3cc2c1=O 60427620 NCAJUYMGZAJUFJ-UHFFFAOYSA-N 442.548 4.454 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2ccc(Oc3cccnc3)c(F)c2)c1 63123222 CJPLPGUNYFTCSZ-UHFFFAOYSA-N 425.416 4.315 5 20 IIBD CCS(=O)(=O)c1ccccc1NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 63475370 SIXGCQJGCXHYAG-UHFFFAOYSA-N 425.466 4.384 5 20 IIBD Cc1c(C(=O)Nc2nc(-c3c(F)cccc3F)cs2)nnn1-c1cccc([N+](=O)[O-])c1 97261180 OBYBXDOCPQONPD-UHFFFAOYSA-N 442.407 4.138 5 20 IIBD Cc1ccc(NC(=O)CSCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 104674162 KSCQBLMZDBYMQN-UHFFFAOYSA-N 442.522 4.337 5 20 IIBD O=C(COc1ccccc1Cc1ccccc1)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 108802386 FJRWMWYTBXMCSR-UHFFFAOYSA-N 445.431 4.358 5 20 IIBD C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)NCc1cccc([N+](=O)[O-])c1)OCCO3 195719419 HGTBBBZQGZRABM-INIZCTEOSA-N 437.496 4.464 5 20 IIBD C[C@@H]1C[C@@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN1Cc1ccccc1 303792921 VGPBWAIAMLUXJA-AEFFLSMTSA-N 430.936 4.172 5 20 IIBD CC(C)c1[nH]nc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1Br 427598983 KPHHKEBXRBIIRL-UHFFFAOYSA-N 435.200 4.153 5 20 IIBD C[C@@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])Oc1ccc(Cl)cc1 428257580 BDVNHAODMREYOY-NSHDSACASA-N 432.782 4.387 5 20 IIBD COCCS(=O)(=O)c1ccc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1 428536598 NCXKXWDMCBFABC-UHFFFAOYSA-N 446.550 4.033 5 20 IIBD O=C(Nc1ccc(I)cc1)c1ccc(Br)cc1[N+](=O)[O-] 429939348 FWVSHDJSPJRHKL-UHFFFAOYSA-N 447.026 4.214 5 20 IIBD COc1ccc([C@H]2CCCN2C(=O)c2ccc(Br)cc2[N+](=O)[O-])c(OC)c1 429967061 WCEUBBFVVKXKMA-MRXNPFEDSA-N 435.274 4.352 5 20 IIBD C[C@@H]1CCCCN1CCC1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 431490974 PPRJINJVALYRKJ-OAHLLOKOSA-N 438.366 4.474 5 20 IIBD COc1cc(CNc2nnc(-c3ccccn3)s2)ccc1OCc1ccc([N+](=O)[O-])cc1 432753404 UNIVVBUBWITDML-UHFFFAOYSA-N 449.492 4.708 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 433144693 NEGJEEXLMDEYQZ-OAQYLSRUSA-N 431.558 4.138 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCO[C@@H]3C[C@H](N(C)C)CC[C@@H]32)cc1[N+](=O)[O-] 437942938 WIAQYVZMNSYGOW-WSTZPKSXSA-N 435.590 4.057 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(CCc1ccccn1)Cc1ccncc1 438120336 VSTBDKLHYJSZLM-UHFFFAOYSA-N 430.386 4.289 5 20 IIBD O=C(CN(Cc1ccccc1[N+](=O)[O-])C1CC1)N1N=C(c2ccco2)C[C@H]1c1ccco1 441224949 CYZDRKJVXCJWIW-FQEVSTJZSA-N 434.452 4.123 5 20 IIBD CC(C)c1ncc(CN(C)C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cn1 441407630 HQQLMQHMKXTRSX-UHFFFAOYSA-N 428.436 4.278 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1sc(C)nc1C 443441985 LCAKWNDUXBNXFN-UHFFFAOYSA-N 448.526 4.090 5 20 IIBD CCc1ccc2c(c1)[C@@H](CCNC(=O)c1cccc3c(=O)c4cccc(F)c4[nH]c13)C(=O)N2 444013455 VBSWFJOWKOGHGZ-OAHLLOKOSA-N 443.478 4.239 5 20 IIBD CO[C@@H](C)c1nc(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cs1 444230349 ZEDVLMBHPRPTHT-JTQLQIEISA-N 429.448 4.053 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn23)C1 446480600 UJAMZADJIYWVHP-CYBMUJFWSA-N 448.405 4.376 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(-c3cccc(CN4CCCCC4)c3)no2)c1N1CCOCC1 447243659 BNURSLOGGOUSCI-UHFFFAOYSA-N 449.511 4.134 5 20 IIBD CC[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 462543265 JCXGZRFVBCMWPU-CYBMUJFWSA-N 447.296 4.102 5 20 IIBD O=C(Nc1ccccc1S(=O)(=O)C1CCCC1)c1cc([N+](=O)[O-])ccc1OC(F)F 464575572 ZCPGEABPNKUFTH-UHFFFAOYSA-N 440.424 4.165 5 20 IIBD Cc1cc(=O)c(C(=O)Nc2cc(Cl)ccc2OC(C)C)nn1-c1ccccc1[N+](=O)[O-] 464679104 URHKJSSMLMTJIB-UHFFFAOYSA-N 442.859 4.142 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 464718676 FOIFTWXFZINDSF-SFHVURJKSA-N 446.301 4.163 5 20 IIBD Cc1cccc(C)c1OCCCNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465756235 OAOOWPWNQDLFFH-UHFFFAOYSA-N 427.501 4.234 5 20 IIBD Cc1ccc(CNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])c(OC[C@@H]2CCCO2)c1 466812692 CMCYPZFTUMBUQC-IBGZPJMESA-N 427.501 4.211 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2CC(=O)OC(C)(C)C)cc1SC 467123969 FDNPXTFZTVBTHK-UHFFFAOYSA-N 432.498 4.462 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1nc(-c2ccc(C)s2)c(C)s1 467255230 WSOSQLYXABDKDC-LBPRGKRZSA-N 434.547 4.268 5 20 IIBD C[C@H]1[C@H](C)CCC[C@H]1N(Cc1c(F)cccc1Cl)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 469076628 XVBOXJBJSJUIHT-ZRGWGRIASA-N 449.910 4.403 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)c1 470435376 AAXSMEWYVRKBRP-CYBMUJFWSA-N 436.331 4.088 5 20 IIBD Cc1ccc([C@H]2OCCC[C@H]2Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)cc1 470882471 ZOKRFWVMBNAODQ-IFMALSPDSA-N 445.541 4.020 5 20 IIBD CCc1ccc(C(=O)N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn34)C2)cc1[N+](=O)[O-] 471664968 BOGDTLRDBJCKBO-HNNXBMFYSA-N 447.417 4.239 5 20 IIBD COc1cc(CN(C)C(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc(OC)c1 477149923 LTQBJMLATWFYCW-CALCHBBNSA-N 441.528 4.367 5 20 IIBD COC(=O)c1cnc(NCc2cccc(NC(=O)Nc3cccc(C)c3)c2)c([N+](=O)[O-])c1 478265607 HJVCEWIMVZHHLO-UHFFFAOYSA-N 435.440 4.341 5 20 IIBD CCOc1cc(OCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)ccc1[N+](=O)[O-] 478729978 IFFGDZYUWJAJGA-NRFANRHFSA-N 430.457 4.479 5 20 IIBD COc1ccc(C2(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])CCCC2)cc1OC 479357445 ZDWOPQRSBMYGNP-UHFFFAOYSA-N 432.904 4.436 5 20 IIBD Cn1c([C@@H](NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2)nc2ccccc21 481420436 XTSMONYQDGEWQP-QFIPXVFZSA-N 449.898 4.453 5 20 IIBD O=C(CCc1ccc(Br)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 482308554 KPZICFJULDGSPY-UHFFFAOYSA-N 433.302 4.360 5 20 IIBD CCOc1cc(N2CCN(CC(=O)Nc3c(C)cccc3C(C)C)CC2)ccc1[N+](=O)[O-] 482868075 KCCDYUOGGWXUAA-UHFFFAOYSA-N 440.544 4.186 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(c3ncnc4sccc34)CC2)nc1-c1ccc(F)cc1 485413146 YDRLIDMPCARYMO-UHFFFAOYSA-N 436.472 4.127 5 20 IIBD COc1cc(CCNC(=O)Nc2cc(C)cc(Br)c2)c([N+](=O)[O-])cc1OC 486375371 GIDVVYQDTXQVFG-UHFFFAOYSA-N 438.278 4.047 5 20 IIBD COc1ccc(C2(C(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CCC2)cc1OC 486711030 OYQIAOGCRSMUOG-UHFFFAOYSA-N 438.402 4.369 5 20 IIBD COCCCOC1CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 488209951 ACQXQCIYHIRUHS-UHFFFAOYSA-N 430.526 4.404 5 20 IIBD CC[C@@H](C)[C@](C)(O)CNc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] 488239386 BHZAFWBGKFIJSD-IIBYNOLFSA-N 435.546 4.221 5 20 IIBD C[C@H](NC(=O)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)c1ccc(Cl)cc1Cl 489124200 DXYGEZATEWNEQZ-LBPRGKRZSA-N 447.278 4.003 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H](OC)c1ccc(Cl)cc1 489294638 OZBFHKWUJNITNH-ORAYPTAESA-N 438.933 4.493 5 20 IIBD CCn1c(SCC(=O)N[C@H](c2ccccc2)C2CC2)nnc1-c1ccc([N+](=O)[O-])cc1 489392025 RRPMGAXDVGDQDA-HXUWFJFHSA-N 437.525 4.233 5 20 IIBD CN1C(=O)C[C@H](NCCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1c1ccc(Cl)cc1 494243558 BCYIXJBSGOEJQF-PGRDOPGGSA-N 440.887 4.007 5 20 IIBD COc1ccc(NC(=O)C[C@@H](C)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(OC)c1 494465007 ADNJWGWCYRZCJX-GFCCVEGCSA-N 441.406 4.138 5 20 IIBD COc1ccc2c(c1)CCCCN2C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 498749039 XCHWYFAKHYMJCA-UHFFFAOYSA-N 434.496 4.448 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](c1cccc(F)c1)c1ccccn1 498878876 FJIGBAQAKYXTOJ-ZUOKHONESA-N 429.835 4.455 5 20 IIBD CCOc1ccc(C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)cc1[N+](=O)[O-] 501470245 HZQVJTXDZIPCBC-UHFFFAOYSA-N 427.844 4.109 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 502855067 JUZCJLOIRLGDJS-UHFFFAOYSA-N 441.484 4.126 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3cccc(Cl)c3n2)cc1OC 505435802 ZHRRWCZWNLSHDY-UHFFFAOYSA-N 431.832 4.083 5 20 IIBD CCOC[C@H]1CCCN(c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])C1 505791997 APVOFHQXRQZAGY-SFHVURJKSA-N 447.557 4.265 5 20 IIBD CCC(CC)N(C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H]1CCCc2cccnc21 511277138 KYDSAPZBZOGOLC-IBGZPJMESA-N 439.512 4.398 5 20 IIBD CCN(Cc1ccc2ccccc2c1)C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O 511435653 FSTWXWHZATWFLY-UHFFFAOYSA-N 442.475 4.265 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](CCO)c1ccc(Cl)c(Cl)c1 512162853 DDLQYGKDRZKEDN-SFHVURJKSA-N 426.300 4.252 5 20 IIBD CC[C@@H]1CN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C[C@H](C)[S@]1=O 512468124 IDJWQVHLNPGTDN-AWDGVMTRSA-N 449.960 4.159 5 20 IIBD O=C(N[C@H](CC(=O)N1CCCc2c1cccc2[N+](=O)[O-])c1ccccc1)c1ccccc1 513834684 YHRYZXZVLLZQMF-OAQYLSRUSA-N 429.476 4.435 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CCCCCc1cc(-c2ccccc2)n[nH]1 516485989 SGPYMOHNRZELOK-UHFFFAOYSA-N 449.511 4.103 5 20 IIBD CN(C)CCN1CCC(CNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 517547842 VTRZLXKLKJASDY-UHFFFAOYSA-N 446.979 4.404 5 20 IIBD CCn1c([C@@H]2CCCN2C(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)nc2ccccc21 518457069 KBOWFLXXGZCVCL-FQEVSTJZSA-N 431.452 4.196 5 20 IIBD CCOc1ccc(C(=O)Nc2cccc(NC(=O)CCN3CCCCC3)c2)cc1[N+](=O)[O-] 518729860 CSDTZEVEESEMCE-UHFFFAOYSA-N 440.500 4.060 5 20 IIBD CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 518793355 IBQFCIAFCNWORQ-UHFFFAOYSA-N 435.362 4.235 5 20 IIBD Cc1c(C(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)nnn1-c1cccc([N+](=O)[O-])c1 518964540 YIMCTWAWWZTTDF-UHFFFAOYSA-N 448.458 4.124 5 20 IIBD CNc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)cc1[N+](=O)[O-] 521853820 HCDSPZIYZCGADZ-UHFFFAOYSA-N 425.832 4.190 5 20 IIBD Cc1c(Cl)cccc1NC(=O)CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 523699554 HMHGZSKUPFAZJK-UHFFFAOYSA-N 442.806 4.308 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](c1ccccc1)c1nc2ccccc2n1C 523937439 OIRXERXJVPRLTR-QFIPXVFZSA-N 429.480 4.413 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N(CCc1ccccc1)Cc1ccncc1 524451333 YVSLSUASCLGEKZ-UHFFFAOYSA-N 427.464 4.061 5 20 IIBD COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 524974523 ILUQOOFNAVPWOY-MRXNPFEDSA-N 447.919 4.430 5 20 IIBD COc1ccccc1-c1ccc([C@@H](C)NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 525081288 LNZKZSFBUDQSMD-QGZVFWFLSA-N 447.491 4.268 5 20 IIBD CC(C)Cn1ccc2cc(NC(=O)C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)ccc21 525324859 DRRPULKZDKECPD-UHFFFAOYSA-N 436.512 4.283 5 20 IIBD CN(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(Cl)cc1 530590572 KHMJZYYKGIVTMC-MRXNPFEDSA-N 426.698 4.043 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(CSC2CCCCC2)c1 531319450 FVFWSYJNPOVGJO-UHFFFAOYSA-N 427.526 4.416 5 20 IIBD Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cccc(CNC(=O)Nc2ccccc2Cl)c1 531489604 XFENZTJKYCEWEF-UHFFFAOYSA-N 427.848 4.161 5 20 IIBD COc1ccc(OC2CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)CC2)cc1 533209366 CNKDVTZAKRPVDI-UHFFFAOYSA-N 435.274 4.050 5 20 IIBD COc1ccc(C(NC(=O)COc2ccc(C)c([N+](=O)[O-])c2)c2ccc(OC)cc2)cc1 533688696 JFXJMMGFJZEGNI-UHFFFAOYSA-N 436.464 4.205 5 20 IIBD CCOc1ccc(C(C)=O)cc1C[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 536304935 JQCOKJOWVABTSV-SSEXGKCCSA-N 428.466 4.300 5 20 IIBD O=C1CCCN1C[C@@H](NCc1ccc([N+](=O)[O-])cc1F)c1cccc(C(F)(F)F)c1 538121757 XQBWDGQNFUGHJY-GOSISDBHSA-N 425.382 4.206 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1 538227167 GTMNCHGKAJGRJG-UONOGXRCSA-N 431.464 4.209 5 20 IIBD COc1cc(CCNC(=O)N2CC[C@H](c3ccccc3)C[C@H]2C)c([N+](=O)[O-])cc1OC 538527338 DYKQQIGCSJXHLV-AEFFLSMTSA-N 427.501 4.132 5 20 IIBD Cc1ccc(C(=O)NCC(F)(F)F)cc1NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 538833998 LNIBEHCBBLGALK-UHFFFAOYSA-N 447.417 4.208 5 20 IIBD COc1cc(C(=O)N2CCC[C@@H](C)[C@H]2CO)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 539773521 JVWOAWODAOYTDH-CXAGYDPISA-N 434.876 4.282 5 20 IIBD COc1ccc(NC(=O)CNc2ccn(-c3ccc(Cl)cc3Cl)n2)c([N+](=O)[O-])c1 540077710 KDWRKQVJWOQRKP-UHFFFAOYSA-N 436.255 4.147 5 20 IIBD C[C@@H](NC(=O)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)c1ccc(Br)cc1 540857590 CGVJOZJZCASBFL-CYBMUJFWSA-N 429.274 4.098 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@@H](COc2ccccc2F)c2ccccc2)s1 541189223 KFZKZWWIKLOOHV-HNNXBMFYSA-N 436.486 4.431 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2cccc(C)c2)C1 543249058 NRVTVHGUXWPVKL-KRWDZBQOSA-N 428.510 4.188 5 20 IIBD CCc1ccc([C@@H](Nc2ccc(CC(=O)N3CCOCC3)cc2)c2ccc([N+](=O)[O-])cc2)o1 543423822 BWAULBKXPKKOKG-VWLOTQADSA-N 449.507 4.353 5 20 IIBD Cn1c([C@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)nc2ccccc21 543707015 CWVXAECXFFYQAH-QGZVFWFLSA-N 430.411 4.450 5 20 IIBD Cc1ccc(CN(CCO)C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cc1 544038475 YKYDCEPNTPNQEH-UHFFFAOYSA-N 449.294 4.030 5 20 IIBD O=C1C[C@@H](c2noc(-c3csc(-c4cccc([N+](=O)[O-])c4)n3)n2)CN1c1ccccc1 547133151 IMIFRZSLXZDTBK-CQSZACIVSA-N 433.449 4.289 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(I)ccc2C)c1 549007896 XDSMUGGYXNRBEH-UHFFFAOYSA-N 426.210 4.159 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)cc1 557643720 LESABAYYHDGNEA-SJLPKXTDSA-N 425.485 4.095 5 20 IIBD COCCN(Cc1cc(Br)cs1)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 561451121 UDFHIMRAKNJTSQ-LBPRGKRZSA-N 427.320 4.198 5 20 IIBD O=C(Nc1c(O)cc(Br)cc1Cl)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 564109877 YGVCPYNDUDAHHY-UHFFFAOYSA-N 437.637 4.154 5 20 IIBD COc1cc(C(=O)NC(C)(C)c2nc(C)no2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 566369426 GGXACJWGYPMORK-UHFFFAOYSA-N 446.847 4.406 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)NCc2ccc(-c3ccncc3)cc2)cc1[N+](=O)[O-] 571587631 WQOMHPKIXJPUDS-UHFFFAOYSA-N 432.480 4.209 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cccc3cc(Br)cnc23)cc([N+](=O)[O-])c1 576352379 SDRWBYURPSRRES-UHFFFAOYSA-N 444.241 4.335 5 20 IIBD CSCc1nnc(S[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)o1 589041224 LCPNLUPZYJRWJS-SECBINFHSA-N 437.528 4.084 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCN(Cc3cccnc3)CC2)cc1[N+](=O)[O-] 590648062 HYYZBTNJPQCPDR-UHFFFAOYSA-N 428.558 4.086 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 603500587 RZKCXJWRWBWPDW-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD CCOc1cc(NC(=O)NCc2ccccc2CN2CCCC2)c([N+](=O)[O-])cc1OCC 603651434 POGFCPFYXOPATR-UHFFFAOYSA-N 442.516 4.310 5 20 IIBD CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](c1ccccc1)N1CCc2sccc2C1 603930375 SMFVXFZEWPJEFT-NRFANRHFSA-N 436.537 4.227 5 20 IIBD Cc1ccc(NC(=O)c2ccccc2)cc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 603977685 HXNHCMOBCJQLSJ-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD CCOc1cc(C(=O)N2CCCc3cc(Br)ccc32)c([N+](=O)[O-])cc1OC 604016056 GLURCXCRESDJJU-UHFFFAOYSA-N 435.274 4.358 5 20 IIBD O=C(Nc1ccc(Oc2ccc(Cl)cc2)nc1)c1cc([N+](=O)[O-])cc2c1OCCO2 608940252 SRBSEBKOHYPOGA-UHFFFAOYSA-N 427.800 4.459 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC[C@@H]3CN3CCCCC3)cc2[N+](=O)[O-])C1 609024001 KJWWJIDRPCBWTC-SFHLNBCPSA-N 428.577 4.168 5 20 IIBD CC[C@@H](C)[C@@H](NC(=O)c1cc(C)cc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 609174853 XKYSWLKSQQDWEO-VGOFRKELSA-N 438.528 4.287 5 20 IIBD CCC[C@H](NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-])c1ccccn1 609218570 UGLMSXJHOALQSA-KRWDZBQOSA-N 442.497 4.305 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C 609255549 VJSXOYODOGTUJP-LBPRGKRZSA-N 442.472 4.290 5 20 IIBD CC1CCN(Cc2ccc(CNC(=O)c3cc(O)nc4ccc([N+](=O)[O-])cc34)cc2)CC1 609490262 HKSPNAFWQJBFQR-UHFFFAOYSA-N 434.496 4.011 5 20 IIBD O=C(NCCCNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)c1cccc(F)c1 609506162 ITHHPRAZCPSNEN-UHFFFAOYSA-N 437.427 4.076 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 609697838 DMYOAHACJCLVFI-HKBQPEDESA-N 438.505 4.451 5 20 IIBD O=C(NC1CCCCC1)c1ccc(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cc1 609761887 HBSHSCPVEXQUJI-UHFFFAOYSA-N 434.452 4.163 5 20 IIBD O=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1ccc([N+](=O)[O-])cc1Br 610038463 CWQANEWUUBFSAF-UHFFFAOYSA-N 427.258 4.284 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 610099611 AGUYDRXYMUGXMN-UHFFFAOYSA-N 435.528 4.279 5 20 IIBD O=C(Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1)[C@H]1Cc2cc(F)ccc2O1 610107593 WATXYBNQPNEHSX-HXUWFJFHSA-N 434.383 4.122 5 20 IIBD COc1cc(C(=O)NCc2ccccc2-c2ccc(CN(C)C)cc2)cc([N+](=O)[O-])c1OC 610195316 QOCKMLWNCMXDEJ-UHFFFAOYSA-N 449.507 4.271 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC([C@H]4CCOC4)CC3)cc2[N+](=O)[O-])n1 612347701 WAHHPINFYYQQAT-INIZCTEOSA-N 433.555 4.400 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] 616408759 DVMFADXYDVMSAQ-QWRGUYRKSA-N 448.385 4.399 5 20 IIBD COc1ccc2nc(Cl)ccc2c1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1Cl 725815343 AJLJDISLHJTPJM-UHFFFAOYSA-N 429.237 4.226 5 20 IIBD CC[C@H](C)n1ncc2c(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc(C)nc21 725956906 QDEFJBMWQLKGOX-LBPRGKRZSA-N 445.863 4.068 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)c1ccc(Br)c([N+](=O)[O-])c1 726518642 MBLXTGSYIFBISI-GXTWGEPZSA-N 440.091 4.406 5 20 IIBD O=C(OCc1nccn1CC(F)(F)F)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 727773386 UVOVBQSQFWUKDC-UHFFFAOYSA-N 434.374 4.323 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 729116522 AJQIHBWTXSGLIS-QGZVFWFLSA-N 441.484 4.369 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)[C@H](C(C)C)S(=O)(=O)C1CCCCC1 729119313 LPHHOSYECYYFHB-FQEVSTJZSA-N 441.546 4.197 5 20 IIBD Cc1ccc2c(Cl)c(C(=O)NS(=O)(=O)c3cc(F)cc([N+](=O)[O-])c3)sc2c1 729185976 MGMDBSVXUMNJQO-UHFFFAOYSA-N 428.850 4.029 5 20 IIBD C[C@H](c1ccccc1F)N(C)C(=O)c1ccc(I)c([N+](=O)[O-])c1 730476280 YBNHNZGZCVVHIH-SNVBAGLBSA-N 428.201 4.172 5 20 IIBD Cc1ccc(NC(=O)COC(=O)c2c(Cl)cccc2[N+](=O)[O-])c(Br)c1 730643397 PYXQCLBQIJEKIX-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1csc(-c2ccoc2)n1 730960273 QTBODAJXHQFNCC-UHFFFAOYSA-N 439.453 4.412 5 20 IIBD O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1csc(-c2cccc(Cl)c2)n1 731507245 BOJOVMXBEGUNPD-KRWDZBQOSA-N 443.868 4.334 5 20 IIBD CC1CCN(c2ccc(C(=O)NC[C@@H](O)c3ccc4ccccc4c3)cc2[N+](=O)[O-])CC1 731829789 WOHXPNDYLZVKER-XMMPIXPASA-N 433.508 4.448 5 20 IIBD O=C(OCc1ccc(Cl)c2cccnc12)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 733557249 LRWCYRKFIGAUSV-OAHLLOKOSA-N 445.884 4.206 5 20 IIBD O=C(COC(=O)c1ccccc1Oc1ccccn1)Nc1ccc(Cl)cc1[N+](=O)[O-] 741000906 PNKHLRWCPBIWQC-UHFFFAOYSA-N 427.800 4.231 5 20 IIBD Cc1ccc([C@H](C)NC(=O)COC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1C 747958703 UTNPZTADZKMCAE-HNNXBMFYSA-N 439.493 4.369 5 20 IIBD C/C(=C\C(=O)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(C(F)(F)F)cc1 748389229 IUCZPJOSRQDWLI-JLHYYAGUSA-N 434.370 4.149 5 20 IIBD C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 749421948 KRVKPPUPDPRUFG-TXEJJXNPSA-N 432.746 4.109 5 20 IIBD O=C(Nc1ccc2c(c1)oc1ccccc12)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 751233371 IWFNVSHPRRURAI-UHFFFAOYSA-N 435.348 4.426 5 20 IIBD O=C(COC(=O)c1ccc(Cl)c(Br)c1)Nc1ccc([N+](=O)[O-])cc1Cl 753424601 CWMLQGAAATWRGK-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD Cc1cc2oc(=O)cc(Cn3cc([N+](=O)[O-])cc(Br)c3=O)c2cc1C(C)C 755628576 ZLYPPAFEJQJLGO-UHFFFAOYSA-N 433.258 4.106 5 20 IIBD C[C@@H](C(=O)O[C@@H]1CCCN(C(=O)c2ccccc2Cl)C1)c1ccc([N+](=O)[O-])cc1F 755670160 IEWRCDJQVMSOPE-UKRRQHHQSA-N 434.851 4.339 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1OC 755865711 BCWICSHWYGDDMP-WMZOPIPTSA-N 428.485 4.070 5 20 IIBD CSc1nc(C(C)(C)C)nc(C)c1C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 761539595 BWSFVUGHUQLMKX-ZDUSSCGKSA-N 446.529 4.205 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc([C@@H]3CC(c4ccccc4)=NO3)n2)c(Br)c1 762260564 IWYJWKCEQBORTE-INIZCTEOSA-N 429.230 4.197 5 20 IIBD O=C(COC(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O)c1cccc([N+](=O)[O-])c1 762932397 MRGBHRQBNXCWRD-UHFFFAOYSA-N 444.802 4.077 5 20 IIBD Cc1ccc(-c2nnc([C@H](C)OC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)o2)cc1C 763872373 XQGZWMTUGCIRSP-HNNXBMFYSA-N 433.424 4.365 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1)c1ccsc1 764620723 HLEKXHQSZCVIDO-UHFFFAOYSA-N 434.433 4.314 5 20 IIBD C[C@H](CC(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1)C1CCN(C(=O)OC(C)(C)C)CC1 767684311 WMHSMPMNFPMRSZ-CQSZACIVSA-N 447.488 4.453 5 20 IIBD Cc1ccc(OCc2nnc(SCC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])o2)cc1 768291298 LAXWZDRWVCMXTG-UHFFFAOYSA-N 434.861 4.249 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 769422932 NDQFKTRSUIBFBN-ZFWWWQNUSA-N 442.354 4.483 5 20 IIBD O=C(Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-])c1nccn2c(Br)cnc12 770117418 CWMVAGIFMMGSMT-UHFFFAOYSA-N 439.225 4.286 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 770475163 IQWWMWSEBZQVRK-UHFFFAOYSA-N 442.541 4.062 5 20 IIBD O=C(Cc1csc(-c2cccnc2)n1)OCc1ccc(Br)c([N+](=O)[O-])c1 773360705 LTYVCHKONWLQGC-UHFFFAOYSA-N 434.271 4.162 5 20 IIBD C[S@](=O)c1ccc(C(=O)O[C@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])cc1 774368383 KAEKYBZEXNCFQU-DXPJPUQTSA-N 440.315 4.140 5 20 IIBD COc1ccc2nc(Cl)ccc2c1S(=O)(=O)Oc1cc(C)c([N+](=O)[O-])cc1F 774884534 RBNPJKXGOPPQFI-UHFFFAOYSA-N 426.809 4.020 5 20 IIBD CO[C@@H]1[C@H](C)[C@H](NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1(C)C 775979475 WPTQZLFJIAGBNK-ZUSMLRIVSA-N 445.903 4.290 5 20 IIBD O=C(COc1cccc(NC(=O)C2CC2)c1)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776134339 AWSCRMHKFYMQMA-HSZRJFAPSA-N 447.447 4.050 5 20 IIBD C[C@@H](Sc1ncccc1C(=O)OCc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCCC1 778093725 PPJRYAPNVNDFAU-CYBMUJFWSA-N 449.916 4.103 5 20 IIBD COc1ccc(NCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c(OCc2ccccc2)c1 783959686 AHEVEHNZKHYWNK-UHFFFAOYSA-N 437.452 4.242 5 20 IIBD Cc1c(Cl)cccc1NC(=O)[C@H](C)OC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 786788446 RSACAPDPCXMOBY-ZDUSSCGKSA-N 443.843 4.054 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnn(CN3CCC(COc4ccc(Cl)nc4)CC3)c2)c1 788366854 PRQFKHQHZFNDGU-UHFFFAOYSA-N 427.892 4.255 5 20 IIBD C[C@H](NCC1(c2ccc(Br)cc2)CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 788585152 SWLPYOVMEYXHIB-AWEZNQCLSA-N 434.334 4.339 5 20 IIBD CC(C)(C)[C@@H]1C[C@@H](NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCO1 790798568 CRLCXSQJEFQFFX-SJCJKPOMSA-N 440.338 4.019 5 20 IIBD CCO[C@H](C)c1ncc(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)s1 791175250 YFECWHVISVRRFQ-SNVBAGLBSA-N 440.319 4.110 5 20 IIBD COc1ccc(OC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)cc1[N+](=O)[O-] 792589144 FODKSJORUJIEOD-UHFFFAOYSA-N 434.448 4.214 5 20 IIBD COc1ccc(OC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1[N+](=O)[O-] 792590877 SQQLQQOILFTKEG-UHFFFAOYSA-N 432.332 4.228 5 20 IIBD COC(=O)Nc1cccc(CNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 803540793 PABPOCSFCKTJLA-UHFFFAOYSA-N 443.403 4.200 5 20 IIBD Cc1nn(CCC(=O)Oc2c(Cl)cc(Cl)cc2Br)c(C)c1[N+](=O)[O-] 809259906 RZHZXHLBGUDWNB-UHFFFAOYSA-N 437.077 4.473 5 20 IIBD O=C(CN1CCC(c2noc3cc(F)ccc23)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 810046340 MJCXUIJUTBEIID-UHFFFAOYSA-N 432.839 4.347 5 20 IIBD CC(C)NS(=O)(=O)Cc1ccc(CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 811478967 UGAWDXZNQUXTGS-UHFFFAOYSA-N 446.356 4.019 5 20 IIBD Cc1sc2nc(CS[C@@H](C)c3nc(CCC(C)(C)[N+](=O)[O-])no3)nc(O)c2c1C 812815534 OYGOUWAKERHULU-NSHDSACASA-N 437.547 4.379 5 20 IIBD COC(=O)c1cc(Br)cc(C(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)c1 813008043 WCZBPYXVSDLVLD-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD Cc1cc(N2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 813626496 AGDWZNZBFUSDKG-IEBWSBKVSA-N 439.516 4.196 5 20 IIBD O=c1c2cnn(-c3cccc(C(F)(F)F)c3)c2ncn1Cc1cc([N+](=O)[O-])ccc1Cl 915668506 COSRHLNHEDTJJQ-UHFFFAOYSA-N 449.776 4.211 5 20 IIBD O=C(NCCNc1ncnc2sccc12)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 916659139 ACXOOBIMZNQKJY-UHFFFAOYSA-N 434.481 4.185 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(OCc3cccc(F)c3)c2)c([N+](=O)[O-])c1 917757673 WJKISJVQWHGXGO-UHFFFAOYSA-N 447.400 4.022 5 20 IIBD C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 918652737 ACNIRFYKHSNOLX-QGZVFWFLSA-N 436.512 4.462 5 20 IIBD CC(=O)Nc1cccc(Nc2nn(CN3CCc4ccc([N+](=O)[O-])cc43)c(=S)s2)c1 919948481 YLLUJUKUSSVKEH-UHFFFAOYSA-N 442.526 4.304 5 20 IIBD CC[C@@H](C)c1ccccc1OC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 919978575 FSTIDHGETOOCOW-IAGOWNOFSA-N 446.525 4.115 5 20 IIBD Cc1ccc(OC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(C(=O)NCC(C)C)c1 920283018 MAAYFQRDOMHITA-UHFFFAOYSA-N 425.485 4.108 5 20 IIBD Cn1cc(C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)c(-c2ccc([N+](=O)[O-])cc2)n1 920552529 XLMVXGUFWADOJE-UHFFFAOYSA-N 449.250 4.098 5 20 IIBD CCc1ccc2c(COC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])cc(=O)oc2c1 920778878 NOWUEWSOOHOJIH-LBPRGKRZSA-N 431.828 4.428 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N(CCc1ccccc1)c1ccccc1 921147368 KUKIKZLCQWGOEZ-UHFFFAOYSA-N 431.492 4.321 5 20 IIBD COc1cc(C(=O)Nc2cc(F)ccc2NC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1OC 1318329048 GTWGHNZARKRDMV-UHFFFAOYSA-N 435.408 4.350 5 20 IIBD O=C([C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)N1Cc2ccc([N+](=O)[O-])cc2C1 1322146349 HJHWKNQVKXLFHJ-SFHVURJKSA-N 434.279 4.049 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2c2nnc(-c3ccc4ccccc4n3)o2)ccc1[N+](=O)[O-] 1341267563 KLRBFUWJDGVGHW-HXUWFJFHSA-N 429.436 4.479 5 20 IIBD O=C1CNC(=O)N1c1cc(NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)ccc1F 1344405276 HRMRQCDFCFVIQU-UHFFFAOYSA-N 444.806 4.316 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)cc1F)c1ccc([N+](=O)[O-])cc1F 1792723923 SPPHYCFZVRWGMI-BTTYYORXSA-N 449.841 4.092 5 20 IIBD O=C(CCc1ccccc1)N1CCC2(CCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)CC1 1804751283 JIFDZGVGALVNRB-UHFFFAOYSA-N 449.551 4.001 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccs2)[nH]n1)c1cccc(F)c1[N+](=O)[O-] 1821170144 OSSOZEDXKAQQFQ-OAHLLOKOSA-N 443.460 4.138 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)CC(C)(C)C)[nH]n1 1821343149 LLQVCQAAEKUAOO-MRXNPFEDSA-N 443.504 4.074 5 20 IIBD C/C=C(\C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CSc2ccccc2[N+](=O)[O-])n[nH]1 1822313256 MNXAGWZAHQUGKC-TYMUOXQOSA-N 443.529 4.069 5 20 IIBD COc1cc(C(=O)OCc2ncc(-c3ccc(F)cc3)o2)c([N+](=O)[O-])cc1OC(F)F 10275752 QAQXRFDAPDOHFY-UHFFFAOYSA-N 438.314 4.356 5 20 IIBD COc1ccc(-c2cc(COC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)on2)cc1 11396330 ZZTABNUFXXQSNQ-UHFFFAOYSA-N 437.452 4.218 5 20 IIBD COc1cc(COC(=O)COc2cccc3ccccc23)c([N+](=O)[O-])cc1OC(F)F 12724980 BVQWLHRVLRUVQG-UHFFFAOYSA-N 433.363 4.480 5 20 IIBD CCNc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1[N+](=O)[O-] 15961908 LIVLVKMSVGMAIT-UHFFFAOYSA-N 438.406 4.134 5 20 IIBD C[C@H](OC(=O)CSc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(Br)c1 18438106 UNUQVYHZUWMHDZ-NSHDSACASA-N 439.287 4.020 5 20 IIBD C[C@@H]1CCCC[C@@H]1NC(=O)COc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1 21283805 FNKKHFXDURJXHX-VFNWGFHPSA-N 436.464 4.442 5 20 IIBD Cc1cc(Cl)ccc1NC(=O)[C@@H](C)OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 22559213 REOSTEHHHLLITQ-CQSZACIVSA-N 431.876 4.341 5 20 IIBD CCOC(=O)c1cc(C(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)cc([N+](=O)[O-])c1 23388837 HSGZGMMEMXEEOQ-QFIPXVFZSA-N 444.447 4.167 5 20 IIBD CC(C)Cn1c(SCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)nnc1-c1ccco1 46864903 ROKMRIHSIMTCIC-UHFFFAOYSA-N 426.458 4.445 5 20 IIBD CC(=O)Nc1ccc(-c2csc(NC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)n2)cc1 58911143 QUYRWDSWLMHFCH-UHFFFAOYSA-N 448.464 4.115 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCCCCN2CCC[C@@H](C)C2)cc1[N+](=O)[O-])c1ccccn1 63758242 ONOSPELPVAVXNQ-MOPGFXCFSA-N 439.560 4.405 5 20 IIBD CC(C)(C)c1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n(-c2ccccn2)n1 111007626 CVSPBFVKROCWLU-UHFFFAOYSA-N 434.500 4.326 5 20 IIBD Cc1sc(NC(=O)[C@@H]2CCCN2C(=O)CC(C)(C)C)nc1-c1cccc([N+](=O)[O-])c1 216173514 SFVJMEKDCIHASB-INIZCTEOSA-N 430.530 4.392 5 20 IIBD CCc1cccc(NC(=O)CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 216253547 QZRNBMBXVUEFST-MRXNPFEDSA-N 447.495 4.094 5 20 IIBD Cc1cnc(Sc2nnc(-c3c[nH]c4ccccc34)n2C[C@H]2CCCO2)c([N+](=O)[O-])c1 301414178 BITDHSVHDUVXOG-CQSZACIVSA-N 436.497 4.368 5 20 IIBD CC(C)(C)c1nc(CN2CCCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC2)no1 301885411 ZSYPAFYLWQGODT-UHFFFAOYSA-N 436.516 4.050 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H](c1ccc(Cl)cc1)c1cnccn1 426854961 CNAAXDWPYUKLRJ-JOCHJYFZSA-N 439.903 4.397 5 20 IIBD O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)c1 426993988 FRDFJYYLSSGUJT-RXVVDRJESA-N 442.903 4.215 5 20 IIBD CCN([C@@H](c1cccnc1)c1ccc(F)c(F)c1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 431915590 CZYDVZQFPPUBAS-OAQYLSRUSA-N 447.463 4.377 5 20 IIBD O=C(Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)c1cc(Br)cc([N+](=O)[O-])c1 433140509 HSTHOXKXMOSZBY-HNNXBMFYSA-N 438.253 4.340 5 20 IIBD COc1cc(C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)c([N+](=O)[O-])cc1OC(F)F 433950200 WCHROZSPRKZHJZ-UHFFFAOYSA-N 446.366 4.385 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1(c2cc(C(F)(F)F)ccc2Cl)CC1 434616034 GLRRSGCTQZKWSJ-UHFFFAOYSA-N 441.793 4.319 5 20 IIBD CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 437731573 XUVLBTDZGBTJPF-IBGZPJMESA-N 434.443 4.182 5 20 IIBD Cc1ccc(Br)cc1CNC(=O)c1ccc([N+](=O)[O-])cc1Br 439004477 JIFIQWUYHXMDTD-UHFFFAOYSA-N 428.080 4.358 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccc(-c2ccccc2)c(C)c1 439815531 DVPNKKXORPZCLS-UHFFFAOYSA-N 433.464 4.224 5 20 IIBD O=C(Nc1cccc(CCC(F)(F)F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 442026975 HORJWWCTLOMKHL-UHFFFAOYSA-N 447.316 4.268 5 20 IIBD COC1CCN(C(C)(C)CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 442755803 SXRFYRQQAGNMIC-UHFFFAOYSA-N 443.569 4.365 5 20 IIBD COc1cc(C(=O)N[C@H](Cc2ccc(F)cc2)C(C)C)c([N+](=O)[O-])cc1OC(F)F 444022879 OLEYQAIFSLKONM-OAHLLOKOSA-N 426.391 4.341 5 20 IIBD O=C(CCCc1cc(Cl)sc1Cl)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 446313979 UKZLJAAGSOXUCO-GFCCVEGCSA-N 429.329 4.394 5 20 IIBD Cn1c(=O)cc(C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])c2ccccc21 446426549 RJHJQJGFYAZYFP-UHFFFAOYSA-N 429.432 4.278 5 20 IIBD COc1ccc(CN2CCC[C@H](c3nccn3C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 446853025 NAKZQVLSXQOREA-FQEVSTJZSA-N 436.512 4.296 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1cccc(Br)c1)C(C)C 446902640 PGWOJPOAJXCALN-UHFFFAOYSA-N 434.290 4.041 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CCC[C@H](c2nc3c(s2)CCCC3)C1 447813187 QDFSAYVAFJABLO-SFHVURJKSA-N 442.585 4.146 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 460868168 BAWIWJORXPBMRX-INIZCTEOSA-N 426.860 4.247 5 20 IIBD COc1cccc([C@H]2CCCN2c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@H]2CCCO2)c1 461134890 WOMZEXFGSXHGRJ-FGZHOGPDSA-N 449.511 4.382 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@H]2CCOC2)c1 461367036 QJPZDIRDRSBBHC-OAHLLOKOSA-N 439.438 4.059 5 20 IIBD Cc1ccsc1-c1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1C[C@H]1CCOC1 461705754 JJUXTFCHMNQLRO-QGZVFWFLSA-N 439.541 4.429 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CN1CCCC1)c1ccc(OC)cc1 462774172 NWHFCKQOJSUIPJ-WMZHIEFXSA-N 425.529 4.125 5 20 IIBD C[C@@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCN1Cc1ccccc1 464900514 DJAQPBVOASBERV-QGZVFWFLSA-N 436.537 4.455 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])NCc1cccc(NC(=O)c2cccc(F)c2)c1 465679081 DAOYSXJJQZPNJF-UHFFFAOYSA-N 436.443 4.028 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ccc(-c2nc3ccccc3s2)cn1 467103866 KMBLELZFWNHUFR-UHFFFAOYSA-N 448.460 4.219 5 20 IIBD COc1ccc2[nH]cc(C3CCN(S(=O)(=O)c4cc([N+](=O)[O-])c(C)s4)CC3)c2c1 467404837 LAVHCCYAEIOCCV-UHFFFAOYSA-N 435.527 4.023 5 20 IIBD CC(=O)NC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C1 467431157 ZRCWZZFNJRVFON-OAHLLOKOSA-N 447.944 4.388 5 20 IIBD CC[C@@H](Cc1ccccc1Br)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 467583915 LUSWWAMTFMYMDJ-HOCLYGCPSA-N 447.333 4.034 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC1CCN(c2nc3ccccc3s2)CC1 468090408 URKSVEZNHSZHMG-UHFFFAOYSA-N 445.932 4.326 5 20 IIBD CC(C)(C)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCO1 468575295 GMCVHAOBMRURFL-SFHVURJKSA-N 443.466 4.104 5 20 IIBD O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1cccc(-n2nccc2C(F)(F)F)c1 469163890 YFHFIJFADGVCGT-UHFFFAOYSA-N 427.342 4.600 5 20 IIBD COc1cc(OCC(=O)Nc2cc(Cl)ccc2-c2nc(C3CC3)no2)ccc1[N+](=O)[O-] 471495913 LPGJCOCEAZRSOS-UHFFFAOYSA-N 444.831 4.202 5 20 IIBD CCC[C@@H](O)CNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 475166636 XFXFISCCDAQWOT-XSVZSIDJSA-N 425.510 4.412 5 20 IIBD COC(=O)[C@@H]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C 475373259 PHGVFCYMWVHDPU-VGOFRKELSA-N 434.496 4.079 5 20 IIBD Cc1nc2ccc(Br)cn2c1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 476351393 DEZSELDQXGENDX-UHFFFAOYSA-N 429.274 4.118 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cc(C)n(CCCOc2ccc(F)cc2)n1 479761520 BSELUCTXRMIDLU-UHFFFAOYSA-N 443.435 4.361 5 20 IIBD COc1cc(C(=O)Nc2ccccc2CN(C)C(=O)c2cccs2)cc([N+](=O)[O-])c1C 479961865 AAXKCCMVALJANY-UHFFFAOYSA-N 439.493 4.498 5 20 IIBD Cc1cc2n[nH]cc2cc1NC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 481305774 KFESGASNRCKGKG-UHFFFAOYSA-N 443.463 4.329 5 20 IIBD COc1ccccc1-c1nc(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)no1 481417390 VTIMWCUFSZCLKH-UHFFFAOYSA-N 442.859 4.327 5 20 IIBD CC(C)(C)c1ccc(Oc2ccc(CNC[C@H](CO)[C@H]3CCOC3)cc2[N+](=O)[O-])cc1 481817809 STMQIDXFMHIERD-RBUKOAKNSA-N 428.529 4.419 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](c1ccc(Cl)cc1)c1noc(C)n1 483419641 PEGXZYDOKGNYNY-KRWDZBQOSA-N 431.836 4.249 5 20 IIBD COc1cc(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)ccc1[N+](=O)[O-] 484586047 IBFFMOOSHUWIJP-UHFFFAOYSA-N 435.259 4.137 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N1CCC(C(F)F)CC1 484759185 VPKSWYPMYDTQLY-UHFFFAOYSA-N 440.450 4.494 5 20 IIBD CCOc1cc(Br)c(F)cc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 485170027 PEEPAQVNAMZCAN-UHFFFAOYSA-N 449.236 4.333 5 20 IIBD O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCO[C@@H](COCC2CC2)C1 485565561 UAQKUORUCUVADW-LJQANCHMSA-N 428.510 4.014 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2c(C)c(C)nn2-c2ccc(Cl)cc2)cc([N+](=O)[O-])c1 485844616 QBTCEIFIQUPUJA-UHFFFAOYSA-N 442.859 4.480 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(C)(C)C(=O)OC)cc1 487995148 IEXPWZQWCDKXMN-UHFFFAOYSA-N 432.498 4.036 5 20 IIBD Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC3 491552325 JTVWUXDUUYQXIQ-MRXNPFEDSA-N 429.480 4.072 5 20 IIBD Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)cc1[N+](=O)[O-] 493943886 GGDBCJGSINMTFE-AWEZNQCLSA-N 433.461 4.060 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)cc1 496640846 ATQVRKBFQAFERL-ZDUSSCGKSA-N 425.445 4.128 5 20 IIBD COC(=O)[C@@H]1C[C@@H](OC)CCN1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 497145349 LHECIPIQOKVUIN-HKUYNNGSSA-N 434.876 4.193 5 20 IIBD CC(C)[C@@H](NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccccc1Cl 497724657 CQJDCZONHPRWAK-HXUWFJFHSA-N 429.904 4.253 5 20 IIBD O=C(NCCCOc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1SCCO 497872576 YZWRQZBCPCXXIL-UHFFFAOYSA-N 445.324 4.185 5 20 IIBD O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2cc3ccccc3o2)cc1 498347302 WYFVIIJJKYATJL-UHFFFAOYSA-N 444.447 4.446 5 20 IIBD CCOc1ccc(-c2nc(Cn3cc(Br)cc([N+](=O)[O-])c3=O)cs2)cc1 502134320 ADHOTROYSBTKBS-UHFFFAOYSA-N 436.287 4.090 5 20 IIBD Cc1ccc(-c2nc(NC(=O)[C@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)sc2C)s1 505381940 IQRBTGDWSCSFTL-NSHDSACASA-N 430.511 4.154 5 20 IIBD CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 505793243 SDLQVFHLWZBSNQ-UHFFFAOYSA-N 426.448 4.315 5 20 IIBD Cc1cc(CN2CCN(Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)CC2)on1 506296559 AIZWJNYVWPBIHQ-UHFFFAOYSA-N 426.448 4.140 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)cc1 507901334 HYODXMZGMSAPIL-WMZOPIPTSA-N 428.432 4.369 5 20 IIBD CC(C)Oc1ccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c(F)c1 509038183 NCIPSJVBRVCTOZ-UHFFFAOYSA-N 431.449 4.053 5 20 IIBD C[C@@H](NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCCN(C2CCC2)C1 511269626 ZQOYJWMDOCZGCH-KGLIPLIRSA-N 445.507 4.475 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCC(C)(c4nc(C)no4)CC3)c([N+](=O)[O-])c2)cc1 511333483 MSMRKYKSVWIESS-UHFFFAOYSA-N 435.484 4.405 5 20 IIBD CC(C)(C)c1ccc(Oc2ccc(CN3CCCN(C(N)=O)CC3)cc2[N+](=O)[O-])cc1 512594872 GBBGAOMBYFDHCD-UHFFFAOYSA-N 426.517 4.271 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1NC(=O)CNc1cc([N+](=O)[O-])ccc1OC(F)F 515664358 VERHSKVVFFAYIA-UHFFFAOYSA-N 431.399 4.049 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)NCc1cccc(NC(=O)c2cccc(F)c2)c1 517544132 YGWCDDHICLRQIM-UHFFFAOYSA-N 436.443 4.028 5 20 IIBD COc1ccc([C@H](Cc2ccc(F)cc2)N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 517556819 YZGRSGFXUMXKPC-RPWUZVMVSA-N 449.482 4.421 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC(c2nc3ccccc3s2)CC1 517909680 JRJRJBQKJONTPT-UHFFFAOYSA-N 437.930 4.426 5 20 IIBD CCOc1ccc(C(F)(F)F)cc1N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 518013690 PIFODPWNIZEVSK-LLVKDONJSA-N 427.379 4.460 5 20 IIBD CC(C)COc1ccc(C2(c3noc(Cn4ccc(=O)c([N+](=O)[O-])c4)n3)CCCC2)cc1 519779669 DHLOCNXLSJVZJT-UHFFFAOYSA-N 438.484 4.083 5 20 IIBD CNc1ccc(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)cc1[N+](=O)[O-] 520270971 QASSRVNDLKOXMN-UHFFFAOYSA-N 445.479 4.479 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccccc1CS(=O)(=O)c1ccccc1 520806894 WZXFHSCVYIGTRI-UHFFFAOYSA-N 439.493 4.009 5 20 IIBD CCOc1cc(NC(=O)NC[C@H](c2ccc(C)cc2)N(C)C)c([N+](=O)[O-])cc1OCC 520827870 JOYJBPNEUIFIOH-LJQANCHMSA-N 430.505 4.125 5 20 IIBD O=C(N[C@@H](c1ccccc1)C1CCCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 521462063 ZMEHKANNZKIVCA-FQEVSTJZSA-N 442.541 4.055 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CC[C@H](Cc4ccc(F)cc4)C3)cc2)c(C)c1[N+](=O)[O-] 522960854 ZKDGBYSHCXXKJG-HXUWFJFHSA-N 436.487 4.300 5 20 IIBD Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)N2CCCC2)cc1 523531690 RVZDQJWAFWAYQJ-IBGZPJMESA-N 432.318 4.233 5 20 IIBD CC(C)COc1ccc(C2(C(=O)N3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)CCC2)cc1 524574820 ZZFUDXOEFZCSIE-LJQANCHMSA-N 438.528 4.159 5 20 IIBD COc1cc(C(=O)NCCc2ccc(-c3csc(C)n3)cc2)cc([N+](=O)[O-])c1OC 525014030 BWKROLFOKDBJLD-UHFFFAOYSA-N 427.482 4.016 5 20 IIBD Cc1ccc(S(=O)(=O)N(C[C@@H]2CCOC2)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 531350024 WUHAWGGOHKOJQN-AWEZNQCLSA-N 444.431 4.154 5 20 IIBD O=C1[C@@H](N2CCC(c3nc4cc(Cl)ccc4o3)CC2)CCN1c1cccc([N+](=O)[O-])c1 532659532 MEGWGEHTXJIGGH-IBGZPJMESA-N 440.887 4.374 5 20 IIBD CCOc1cc(NC(=O)N[C@H](C)c2ccc([S@](C)=O)cc2)c([N+](=O)[O-])cc1OCC 533742813 INMIIHPXTGXLPV-OSXTUODASA-N 435.502 4.012 5 20 IIBD CC[C@](C)(COc1ncccc1Cl)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 536731565 PBHMKLVIUKCPEB-GOSISDBHSA-N 427.288 4.072 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 538387962 VBESPADZJQNFCC-UHFFFAOYSA-N 437.427 4.315 5 20 IIBD CC(C)n1nnnc1-c1ccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1F 542110560 YITIDWCZQJPDQP-UHFFFAOYSA-N 427.440 4.025 5 20 IIBD CCCc1c(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cnn1-c1cccc(F)c1 542415113 BSILOFXRZUCIET-UHFFFAOYSA-N 434.431 4.310 5 20 IIBD C[C@H](NC(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1)c1cccc([N+](=O)[O-])c1 542441522 IQKRAPVRTNNCSR-MAUKXSAKSA-N 426.521 4.411 5 20 IIBD CN(CC(=O)NCc1cccs1)C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 542657886 SODCYAZKKSILFG-UHFFFAOYSA-N 447.582 4.327 5 20 IIBD COc1cc(CNc2cccc3c2CCN3C(C)=O)c([N+](=O)[O-])cc1OCC(F)(F)F 545303022 ZWGQIBUFWXJXLL-UHFFFAOYSA-N 439.390 4.066 5 20 IIBD COCC(=O)Nc1ccc(-c2noc(-c3csc(-c4ccc([N+](=O)[O-])cc4)n3)n2)cc1 545595395 RTGMEOCADCHNNX-UHFFFAOYSA-N 437.437 4.020 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3ccc4[nH]ccc4c3)no2)c(I)c1 546318803 OFAPFEKMKHTWLT-UHFFFAOYSA-N 432.177 4.398 5 20 IIBD CCO[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)[C@@]12CCCO2 546757664 FKFBOANQTPHGJE-SJBKTWHCSA-N 428.510 4.202 5 20 IIBD Nc1ccc(-c2noc(-c3cc(N4CCCC4=O)cc(C(F)(F)F)c3)n2)cc1[N+](=O)[O-] 546965854 CIJDVPSTFHFRSX-UHFFFAOYSA-N 433.346 4.040 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ncc(-c3ccccc3F)s2)cc1OC 549315184 JXIMZAKXCXONRN-UHFFFAOYSA-N 447.444 4.144 5 20 IIBD COc1c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)cc1C(=O)N(C)C 557202148 VXZJXLNLOBVHBB-UHFFFAOYSA-N 433.873 4.426 5 20 IIBD Cc1ccc(Cc2ccccn2)cc1NC(=O)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 559017716 STWCBWNOBDGZHC-QGZVFWFLSA-N 432.480 4.013 5 20 IIBD O=C(c1ccc(Br)cc1)N1CCC[C@@H]1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 561857958 BEZQTNFLAOSILI-MRXNPFEDSA-N 443.257 4.385 5 20 IIBD CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 563704445 YBTGGUVKYLFHDT-CYBMUJFWSA-N 445.522 4.003 5 20 IIBD C[C@@H](C(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1)c1cccc([N+](=O)[O-])c1 566833772 UIUAUBCPRZHLRP-GFCCVEGCSA-N 449.485 4.338 5 20 IIBD COc1ccc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccccc2)cc1O 568576970 UJQLTMKIPOKZAT-UHFFFAOYSA-N 445.479 4.252 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)c1 569130053 SOHPPQDCDQMDJG-UHFFFAOYSA-N 440.500 4.060 5 20 IIBD O=C(Nc1cccc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1)c1ccc(F)cc1 570514429 HYBLQUGRHCACDH-RTWAWAEBSA-N 437.475 4.456 5 20 IIBD COc1cc(OC)cc(C2(F)CCN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC2)c1 571771043 VFQYWAAXAGLGFA-UHFFFAOYSA-N 442.447 4.123 5 20 IIBD Cc1c(C(=O)N(Cc2ccccc2Br)C2CCN(C)CC2)cccc1[N+](=O)[O-] 575794957 NUDSXGNTSQITPH-UHFFFAOYSA-N 446.345 4.402 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CNCc2cccc(Br)c2)c1 578053771 ZTICQWLRARDYAE-UHFFFAOYSA-N 447.070 4.252 5 20 IIBD Cc1ccc(-n2c(Sc3ncnc4sc([N+](=O)[O-])cc34)nnc2N2CCCC2)cc1 578387960 GNSGLAXRUKJNOZ-UHFFFAOYSA-N 439.526 4.240 5 20 IIBD COc1cc(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)ccc1OCc1cnn(C)c1 580848662 JRYOUPFBEFPJPX-UHFFFAOYSA-N 438.484 4.466 5 20 IIBD C[C@@H](Oc1ccccc1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C(F)(F)F 589008621 RMSBOFZFXTXFJL-CQSZACIVSA-N 438.406 4.279 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1 589372948 YGMVILGVQCLWFU-UHFFFAOYSA-N 431.562 4.261 5 20 IIBD COCCN(C(=O)c1ccc(OC)cc1OC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603461165 BMFYKYGATAEMOF-UHFFFAOYSA-N 443.481 4.029 5 20 IIBD CCOc1cc(NC(=O)N2CCN(c3cccc(C)c3)CC2)c([N+](=O)[O-])cc1OCC 603651215 AGSQAUBLTHAPNZ-UHFFFAOYSA-N 428.489 4.055 5 20 IIBD COc1ccc(CNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])c(OC)c1 603871100 FNLJQVDWOUFOCJ-UHFFFAOYSA-N 443.481 4.025 5 20 IIBD CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC1 603932087 RJWSMWJKSHBEQG-HXUWFJFHSA-N 439.512 4.226 5 20 IIBD CCCOc1ccc([C@H](C)NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cc1OC 609548059 QJZGISHOJKFSMQ-ZDUSSCGKSA-N 425.441 4.137 5 20 IIBD Cc1c(C[S@@](C)=O)cccc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 609727893 NVSNMLPKZZDVJX-SSEXGKCCSA-N 429.542 4.270 5 20 IIBD Cc1noc([C@@H](C)NC(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)n1 609810981 YQYBGKHLNGZFEZ-SNVBAGLBSA-N 449.826 4.431 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(CN(C(C)=O)C3CC3)cc2)cc1SC 609863734 HKESEISCNLAVKJ-UHFFFAOYSA-N 429.498 4.089 5 20 IIBD CCOC(=O)c1ccnc(NCc2cccc(NC(=O)Nc3ccccc3)c2)c1[N+](=O)[O-] 609963499 RWTXAIYQUATHFN-UHFFFAOYSA-N 435.440 4.423 5 20 IIBD O=C(c1ccc(NCC2(c3cccs3)CCCCC2)c([N+](=O)[O-])c1)N1CCOCC1 610076863 FYKRUTVVXRJPTN-UHFFFAOYSA-N 429.542 4.443 5 20 IIBD C[C@@H]1CN(c2ccccc2NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 610093438 KDQRTRTVEBFGGL-QZTJIDSGSA-N 426.517 4.353 5 20 IIBD COc1cc(C(=O)NCC2(C(=O)O)CCCC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 610853108 KZPOVTOBOPNUEM-UHFFFAOYSA-N 448.859 4.424 5 20 IIBD CO[C@@H]1CCCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 611948129 XWIQVWMYMRKTMD-JOCHJYFZSA-N 434.496 4.018 5 20 IIBD CCOc1cccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)c1 727590065 CNIVINFPHOHDMR-UHFFFAOYSA-N 438.406 4.366 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2cccc(SC)c2)cc1SC 728650993 OOFZBRLOHUOVAL-LLVKDONJSA-N 436.511 4.231 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1SC 728651617 VATYUIFPKYJKNR-LLVKDONJSA-N 438.889 4.013 5 20 IIBD CCOc1c(Br)cc(C(=O)OCc2c(F)cccc2[N+](=O)[O-])cc1OC 728992809 VWXUTZILXNLTQJ-UHFFFAOYSA-N 428.210 4.261 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)NC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)cc1[N+](=O)[O-] 731288880 WGRYSWZKMWNRSQ-ROUUACIJSA-N 444.896 4.318 5 20 IIBD Cc1nc2c(c(O)nn2C)c(C)c1CC(=O)Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-] 733857173 HMNOKFSXPMHAGD-UHFFFAOYSA-N 432.436 4.014 5 20 IIBD Cc1c(C(=O)OCc2ccc(Cl)cc2[N+](=O)[O-])sc2nc3n(c(=O)c12)CCCCC3 734880713 CPQXFESRSINFQR-UHFFFAOYSA-N 447.900 4.411 5 20 IIBD C/C(=C/C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1cccc(C(F)(F)F)c1 742697100 HDADWCHPFGUUOC-SQFISAMPSA-N 447.413 4.002 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3sccc3OC(F)F)CC2)ccc1[N+](=O)[O-] 744204973 WFIHDUCZOYOJQS-UHFFFAOYSA-N 442.440 4.482 5 20 IIBD C[C@@H](OC(=O)c1ccc(OC2CCOCC2)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 745250397 PKVUEEVZQYWFRB-CQSZACIVSA-N 439.424 4.121 5 20 IIBD CN1CCC(N(C)c2ccc(NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)cc2)CC1 746826438 PCSGBXCSXVIGJX-UHFFFAOYSA-N 436.434 4.396 5 20 IIBD C[C@@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)N(C)Cc1cccc(F)c1 747958655 RHQSKIQRKOAMBV-CYBMUJFWSA-N 443.456 4.061 5 20 IIBD Cc1csc(Sc2ccc(C(=O)O[C@@H]3CCCN(C(C)C)C3=O)cc2[N+](=O)[O-])n1 748160824 UGXUAPSIKNRKRT-OAHLLOKOSA-N 435.527 4.067 5 20 IIBD Cc1c(C(=O)NCc2cccc(NC(=O)c3ccccc3)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748621867 QTLLRKGZNGIKBC-UHFFFAOYSA-N 448.435 4.302 5 20 IIBD O=C(COC(=O)c1cc(Cl)ccc1OC(F)F)Nc1cc(Cl)ccc1[N+](=O)[O-] 748918770 PRECSKVYOUVQGK-UHFFFAOYSA-N 435.166 4.299 5 20 IIBD COc1ccc(COC(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)cc1[N+](=O)[O-] 748940194 WBGSFTFMHJZRBU-UHFFFAOYSA-N 428.832 4.072 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@H](Cc1ccccc1)c1cccs1 749741076 DETFSOPNDHXUHQ-MRXNPFEDSA-N 429.885 4.348 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)OCCN1CCCCC1 750548379 ZSDUWGNEBLIZNX-UHFFFAOYSA-N 434.496 4.019 5 20 IIBD CC(=O)Nc1ccc(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(C(F)(F)F)c1 751268918 CISKKXQIGGJLJN-UHFFFAOYSA-N 437.783 4.026 5 20 IIBD C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(I)c([N+](=O)[O-])c1 751353937 BRGZATZRUIEBMU-DOMZBBRYSA-N 436.249 4.218 5 20 IIBD C[C@@H](CC(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1F 752494159 BTAHHEIENQCLCA-GOEBONIOSA-N 432.423 4.215 5 20 IIBD CCc1ccc([C@H](NC[C@@H](O)c2cc(OC)cc(OC)c2)c2ccc([N+](=O)[O-])cc2)o1 753672536 WSVJUJRATLVWDF-FYYLOGMGSA-N 426.469 4.180 5 20 IIBD C[C@@H](OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccc(F)c(C(F)(F)F)c1 754370805 GWTQNMQSGUHZTR-SECBINFHSA-N 435.351 4.074 5 20 IIBD C[C@H](C(=O)OCc1nc(O)c2ccc(C(F)(F)F)cc2n1)c1ccc([N+](=O)[O-])cc1F 755068813 XWIFEHIWVJRDQZ-VIFPVBQESA-N 439.321 4.248 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc1Cl 758281566 YZKGPWYSEYTQEZ-QGZVFWFLSA-N 442.802 4.214 5 20 IIBD O=[N+]([O-])c1ccc(CCc2nc(Cc3ccc(Br)s3)no2)c([N+](=O)[O-])c1 761636255 PBJAIMVBUGMIDO-UHFFFAOYSA-N 439.247 4.086 5 20 IIBD C[C@H](OC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C(=O)N(C)Cc1c(F)cccc1Cl 762906493 KJBHCEKKQIDYLJ-NSHDSACASA-N 433.823 4.073 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1c(Cl)cc(F)cc1Cl 763540919 MFLKXBXNDKACKQ-QMMMGPOBSA-N 431.203 4.233 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN(C)C(=O)C(F)(F)F)c1 763777554 QJUICSHMIATXPC-UHFFFAOYSA-N 441.431 4.480 5 20 IIBD CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 764293199 DVGRIHXUKZAASW-HNNXBMFYSA-N 446.935 4.189 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC[C@H]2c2ccco2)ccc1Br 765186633 QSBOGLLLPUFFKF-AWEZNQCLSA-N 429.292 4.256 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 765193124 GMVCIVBGFHDLQS-FXAWDEMLSA-N 448.516 4.201 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1Cc2ccc(Br)cc2C1 765212601 HJXCCUGEYVYUIL-UHFFFAOYSA-N 437.315 4.252 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 767194763 MQPFZVMOKGYXQB-OAHLLOKOSA-N 430.386 4.429 5 20 IIBD Cc1cc(S(=O)(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)cc([N+](=O)[O-])c1F 768280676 VFBTVORACVMKQX-UHFFFAOYSA-N 435.477 4.362 5 20 IIBD C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 772202792 UJQADLQUYHPSLQ-DZGCQCFKSA-N 446.529 4.236 5 20 IIBD C[C@@H](OC(=O)c1sc(Br)cc1[N+](=O)[O-])c1nc(-c2cccs2)no1 773603020 DYPHRAQIKCOIPH-ZCFIWIBFSA-N 430.261 4.448 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cnn(-c3ccc(F)cc3)c1C(F)(F)F)CC2 774220764 UXVTXELADUGNHB-UHFFFAOYSA-N 434.349 4.450 5 20 IIBD Cc1nc(NCc2ccc([C@@H](C)O)cc2)nc(NCc2ccc([C@@H](C)O)cc2)c1[N+](=O)[O-] 774526692 RJVCBGAHIHSMTF-HZPDHXFCSA-N 437.500 4.024 5 20 IIBD CSc1cc(C(=O)COC(=O)c2cccc(SC)c2[N+](=O)[O-])ccc1NC(C)=O 777075573 VPCHWVDQCWNXPI-UHFFFAOYSA-N 434.495 4.037 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cc2ccccc2)cc1[N+](=O)[O-] 777596506 VPSHESCQLNNHBE-UHFFFAOYSA-N 441.465 4.165 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O 778800678 KYEVQVMJTRFGFR-ACJLOTCBSA-N 445.859 4.066 5 20 IIBD O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1CCC[C@]12CCOC2=O 779253706 OEMISUYQLZMQPO-HXUWFJFHSA-N 432.885 4.321 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1cc(=O)n2cc(Cl)ccc2n1 780283214 PNQVOZWMOASWLL-UHFFFAOYSA-N 433.873 4.115 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 780806776 HSILSONXGHTMKT-PXNSSMCTSA-N 449.551 4.495 5 20 IIBD CC(C)(C)OC(=O)NCCOc1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1 783752037 QKSJQLZIPDBRNU-UHFFFAOYSA-N 432.502 4.307 5 20 IIBD CC(C)CN(C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCCc2cccnc21 785255990 ZHTMKGMTGQVOQE-KRWDZBQOSA-N 430.892 4.144 5 20 IIBD C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(I)c2)[C@H]1c1ccccc1 787809401 PKNLDICLXZCDTK-BDJLRTHQSA-N 437.237 4.424 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1F 788130963 AOCLIHSLTOQNPM-UHFFFAOYSA-N 439.409 4.409 5 20 IIBD C[C@@H](Cc1cccc(Cl)c1F)OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 788411164 CVPWKAFGUXDNMK-FZMZJTMJSA-N 440.880 4.228 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1 791543449 UPWGNNPCJAFARK-UHFFFAOYSA-N 428.489 4.317 5 20 IIBD O=C(Nc1ccccc1C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccs1 791571941 LICSULRJGJXWAP-UHFFFAOYSA-N 427.394 4.174 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Oc2cccc(-c3ncnn3C)c2)cc1 792141865 SHIXFFHCDUFZRI-UHFFFAOYSA-N 446.419 4.410 5 20 IIBD CCOC(=O)/C(=C/c1ncc(-c2ccc(Br)cc2)[nH]1)c1ccc([N+](=O)[O-])cn1 794951454 YKEFITFCNFQGIM-OQLLNIDSSA-N 443.257 4.246 5 20 IIBD CC(C)OCc1cccc(NS(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])c1 795301846 LCOSCMLGYLSTHR-UHFFFAOYSA-N 447.282 4.222 5 20 IIBD COc1c(C(=O)O[C@@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)cccc1[N+](=O)[O-] 796309511 OSOIMIVUHNPLHK-SFHVURJKSA-N 448.475 4.378 5 20 IIBD Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1c(F)ccc([N+](=O)[O-])c1C 800607853 ZUWPJCXPULNWBU-KRWDZBQOSA-N 441.484 4.451 5 20 IIBD O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 807794503 ABPXNRBPBZTJNR-INIZCTEOSA-N 437.399 4.201 5 20 IIBD Cc1cc(Cc2noc(Cc3ccc(NC(=O)OC(C)(C)C)cn3)n2)ccc1[N+](=O)[O-] 809432161 CFCJIDMIJZYMQX-UHFFFAOYSA-N 425.445 4.210 5 20 IIBD CCc1ccc(NC(=O)Cc2noc(-c3cc([N+](=O)[O-])ccc3N3CCCCC3)n2)cc1 809460958 RWKVDSNPFJDFEQ-UHFFFAOYSA-N 435.484 4.379 5 20 IIBD CC(C)(C)OC(=O)NC1(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)Cc2ccccc2C1 813246950 SZCFXYMHKRKCCT-UHFFFAOYSA-N 431.876 4.249 5 20 IIBD Cc1ccc(F)cc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 853803092 BSGDPBMODOHVRE-MRXNPFEDSA-N 443.475 4.463 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1c1noc(-c2cc3ccccc3c([N+](=O)[O-])c2N)n1 904710288 NQJQABKTTLWMKH-HNNXBMFYSA-N 425.445 4.452 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])cn1)OCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 912993091 JOLOJCWCJHOKLA-UHFFFAOYSA-N 437.843 4.041 5 20 IIBD CCc1c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cnn1-c1ccc(C)cc1 914641064 QFRPBLIVVLKLCJ-UHFFFAOYSA-N 442.859 4.100 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cc2cc([N+](=O)[O-])ccc2s1 914798708 WVMGLHHAXKWPGN-UHFFFAOYSA-N 426.366 4.125 5 20 IIBD C[C@H](OC(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)c1ccccc1[N+](=O)[O-] 920270145 WKSIUVNMVMTDNR-GJZGRUSLSA-N 448.422 4.353 5 20 IIBD C[C@H](Nc1ccc(C(=O)OCC(=O)c2ccc(F)c(F)c2)cc1[N+](=O)[O-])c1ccccn1 920549170 WFJJHEFPBNJHOU-ZDUSSCGKSA-N 441.390 4.481 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1 920778704 USMQRPMNMOVCPI-JTQLQIEISA-N 446.765 4.216 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2c3ccccc3cc3ccccc23)CC1 1318996245 CFFLZUGFTNYVQL-UHFFFAOYSA-N 439.471 4.499 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(-c3ccc4ccccc4n3)o2)c(I)c1 1326918759 QKCYRGKNYCMSFS-UHFFFAOYSA-N 444.188 4.465 5 20 IIBD O=C(Cn1ccc2ccc([N+](=O)[O-])cc21)NC1(c2ccc(NC(=O)C3CCC3)cc2)CCC1 1787605860 LVERARJNUTYXLY-UHFFFAOYSA-N 446.507 4.484 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1)c1cnc2ccoc2c1 1790185328 PVTSJPBXZGUMJW-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD C[C@H]1C[C@@]1(C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc([N+](=O)[O-])cc3F)CCC2)cc1 1790424447 HZNCEEWZQKOTRZ-NPMXOYFQSA-N 439.487 4.457 5 20 IIBD CCOCCC(=O)NC1(c2ccc(NC(=O)Cc3ccc(C)c([N+](=O)[O-])c3)cc2)CCC1 1790525360 SFFYFXIYOHDXCK-UHFFFAOYSA-N 439.512 4.006 5 20 IIBD CCCCC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3nc[nH]c3[N+](=O)[O-])CCC2)cc1 1791313414 FBWIZHRFMOTSTF-HNNXBMFYSA-N 427.505 4.282 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(C2(NC(=O)[C@H]3CCCOC3)CCC2)cc1 1792319194 JURGGHCNOFIXBY-CWRQFWGNSA-N 449.507 4.169 5 20 IIBD Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H]2CCC[C@@H]2C)cc(Cl)cc1[N+](=O)[O-] 1797922595 OKMCEKVEDVIQDG-RPCVNMKUSA-N 433.936 4.245 5 20 IIBD Cc1c(C(=O)N2CC3(CCCN3C(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)C2)cc(Cl)cc1[N+](=O)[O-] 1846031139 GTOJBGOOELMMFP-IKGGRYGDSA-N 445.947 4.200 5 20 IIBD CCNc1ccc(C(=O)O[C@H](C)C(=O)N(c2nccs2)C2CCCCC2)cc1[N+](=O)[O-] 14072752 MUWXCPZJTSDRCP-CQSZACIVSA-N 446.529 4.394 5 20 IIBD C[C@H](OC(=O)c1ccc(CN2CCCCC2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 16402163 KMSQXENWUPMPKO-HNNXBMFYSA-N 445.903 4.418 5 20 IIBD CCOc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])o1 21545474 RODUNNWQDOYYKB-UHFFFAOYSA-N 434.861 4.428 5 20 IIBD Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 25733399 DPPRKJWANCPLML-HUUCEWRRSA-N 445.541 4.041 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)COc2ccccc2C=O)c2ccccc2)c([N+](=O)[O-])c1 28300777 PKFHBENGCSLSID-QHCPKHFHSA-N 448.431 4.018 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2ccc(C(=O)OC(C)C)cc2)c1 28400999 MFIZSDZMYOCLOX-CYBMUJFWSA-N 446.481 4.066 5 20 IIBD CCOC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc2c1CC(C)(C)NC2(C)C 34736467 UZYWAEGECSWYBY-UHFFFAOYSA-N 431.514 4.245 5 20 IIBD O=[N+]([O-])c1cccc(OCCSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)c1 59122041 ANEIOFYGRYAJGH-IBGZPJMESA-N 444.488 4.343 5 20 IIBD CC(C)[C@@H](c1ccccc1)N(C)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 79035374 ONUUSFPXCDTBTG-KRWDZBQOSA-N 427.320 4.375 5 20 IIBD O=C(NC[C@H](c1ccco1)N1CCCCC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 107703598 JXCSCVJBMAFWHJ-QGZVFWFLSA-N 441.406 4.086 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H](O)Cc3ccccc3)o2)c(Br)c1 238065134 WULQUNXNYKLWKL-MRXNPFEDSA-N 431.286 4.311 5 20 IIBD O=C(Nc1ccc(Oc2cc(C(F)(F)F)nc3ncnn23)cc1)c1cccc([N+](=O)[O-])c1 301081053 IMPBFVOXENTSQM-UHFFFAOYSA-N 444.329 4.096 5 20 IIBD CC(C)NC(=O)c1ccc(N2CCCN(Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 301110665 WGBTYFIAFTYJPF-UHFFFAOYSA-N 430.936 4.099 5 20 IIBD COc1cc(F)c([C@@H](C)Nc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)cc1OC 301264691 HWGGRZXUUSCPNI-LLVKDONJSA-N 448.838 4.124 5 20 IIBD CC1CCN(C2CCC(Nc3ccc(C(=O)c4nccn4C)cc3[N+](=O)[O-])CC2)CC1 301774510 MZJGTVAXPIFASI-UHFFFAOYSA-N 425.533 4.014 5 20 IIBD Cc1cc(N2CCC(C(=O)Nc3ccccc3O)CC2)c(Br)cc1[N+](=O)[O-] 302622192 ACLNZLMNKHYPMS-UHFFFAOYSA-N 434.290 4.226 5 20 IIBD C[C@@H](O)C[C@@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccccc1 427159801 JSFTUPHBSANFMP-NQIIRXRSSA-N 434.492 4.458 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CN[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 429800826 SUYPLLCPOOZREB-JOCHJYFZSA-N 444.484 4.025 5 20 IIBD O=[N+]([O-])c1cc(CN2CCC3(CC2)CCS(=O)(=O)CC3)ccc1Oc1ccc(F)cc1 430200060 FFRSHIZOXFTFCR-UHFFFAOYSA-N 448.516 4.317 5 20 IIBD CCc1ccc([C@H](c2cccnc2)N(CC)S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 431909896 SDICQOKNXPWPSK-JOCHJYFZSA-N 443.500 4.492 5 20 IIBD CN(C)CCOc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1Cl 431953068 SOBPOXGBLDCTRQ-UHFFFAOYSA-N 442.697 4.203 5 20 IIBD CCc1cc(=NC(=O)c2c(C)nc(C(C)C)nc2SC)c2cc([N+](=O)[O-])ccc2[nH]1 432986537 AMAOVIWVMFAALB-UHFFFAOYSA-N 425.514 4.323 5 20 IIBD C[C@H](C(=O)N(CCn1ccnc1)Cc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1F 435334632 HAWUWRUGXCJAAV-HNNXBMFYSA-N 430.867 4.416 5 20 IIBD O=C(NCc1cnn(-c2ccccc2)c1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 435933389 DKEZVSGXWFOCPM-UHFFFAOYSA-N 430.414 4.075 5 20 IIBD CCCCN1CCCC[C@H]1CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436290915 JWECYAGZKRRDHS-KRWDZBQOSA-N 427.495 4.344 5 20 IIBD CC(C)S(=O)(=O)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 437154749 NCOIPNGTCTUHOT-UHFFFAOYSA-N 430.404 4.189 5 20 IIBD O=C(NCCC1CCN(CC(F)(F)F)CC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437361592 DQHQWOLNBGCIFM-UHFFFAOYSA-N 427.345 4.008 5 20 IIBD CCSc1ccc(Cl)cc1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 438495931 SCDUIOAMJSYWKE-UHFFFAOYSA-N 439.946 4.020 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1ccc(F)cc1C(F)(F)F 438655294 LJQZVWRNWXPOMR-UHFFFAOYSA-N 427.354 4.128 5 20 IIBD CCOc1cc(C(=O)Nc2nc(-c3ccc(SC)cc3)ns2)c([N+](=O)[O-])cc1OC 440471398 QDFZMQVXGIHDMV-UHFFFAOYSA-N 446.510 4.495 5 20 IIBD COc1cccc(C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)c1[N+](=O)[O-] 444182674 LLWDUGNWCLDJTQ-INIZCTEOSA-N 429.231 4.263 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 444735249 OLSZEWCIQHCQOW-GASCZTMLSA-N 445.541 4.131 5 20 IIBD CSc1cccc([C@H](NC(=O)c2cnc(O)c([N+](=O)[O-])c2)c2ccc(F)c(F)c2)c1 444993210 QFDIHCFAOYZZPO-SFHVURJKSA-N 431.420 4.215 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]1c1cccc2c1OCCO2 445789177 GMLNCICPTUIAQS-QGZVFWFLSA-N 447.285 4.035 5 20 IIBD COc1cc(OC)c(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc1F 446202064 PFJPCJLPUPFIIA-KBPBESRZSA-N 431.464 4.486 5 20 IIBD COc1ccc(-c2ccc(CNC(=O)c3nnn(-c4cccc([N+](=O)[O-])c4)c3C)cc2)cc1 460581704 HHYRXPCUEQSWRF-UHFFFAOYSA-N 443.463 4.090 5 20 IIBD CC(C)OCc1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)no1 461367083 ASWSRGUGXFKDDU-CQSZACIVSA-N 426.429 4.186 5 20 IIBD COCc1cc(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)no1 463692419 XQLOBRRMCRLJLA-UHFFFAOYSA-N 435.795 4.244 5 20 IIBD C[C@@H](c1nccs1)N1CCN(c2c([N+](=O)[O-])cnc3ccc(Br)cc23)CC1 463738529 XFWQAYDRHPNAPS-LBPRGKRZSA-N 448.346 4.245 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(=Cc3ccccc3F)CC2)cc1OC 465085422 PLMZVHOORJTVDD-UHFFFAOYSA-N 444.459 4.087 5 20 IIBD COCc1ccc([C@H]2CCCN2C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)o1 466845935 NRKBEYCQJRHADV-HXUWFJFHSA-N 438.484 4.173 5 20 IIBD CCCCN1CCc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)cc21 472672679 RTVBZIPIPAXCFS-QGZVFWFLSA-N 442.541 4.062 5 20 IIBD C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 473536960 ZNVOCYHLOJWANT-MYGHRHJXSA-N 432.545 4.112 5 20 IIBD COC(=O)COc1ccc(CNc2ccc(Cl)c(Br)c2)cc1[N+](=O)[O-] 475111926 QPHJXPCEZCNFNE-UHFFFAOYSA-N 429.654 4.175 5 20 IIBD COc1ccc(NC(=O)CNc2cc(Br)ccc2N2CCCC2)c([N+](=O)[O-])c1 477576487 NTADOTFGNUCHLC-UHFFFAOYSA-N 449.305 4.017 5 20 IIBD C[C@H](C(=O)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1F 478439101 VHBLHUUYYTWEOW-XXFAHNHDSA-N 434.773 4.359 5 20 IIBD CCCCn1ccnc1-c1cccc(NC(=O)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 478961838 VQAKYFKNOXKIGW-QGZVFWFLSA-N 449.511 4.383 5 20 IIBD CCC(=O)c1ccc(N[C@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)c([N+](=O)[O-])c1 479853925 UTZOGVNAENEODE-OAHLLOKOSA-N 433.530 4.391 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](c1ccccc1)c1nc2ccccc2n1C 481416442 PKAYSOQNDJJJIB-XMMPIXPASA-N 443.507 4.498 5 20 IIBD CCOc1cc(N2CCN([C@H](C)C(=O)Nc3ccccc3C(C)C)CC2)ccc1[N+](=O)[O-] 482897640 VQQSCDMXYODJJR-GOSISDBHSA-N 440.544 4.266 5 20 IIBD CN(C[C@@H]1CCCC[C@H]1O)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 484461917 CEMANOYACFGEJM-HRAATJIYSA-N 431.920 4.483 5 20 IIBD CCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H](C)Cc1ccccc1C(F)(F)F 485269830 DYOCVUWCFCLTSM-ZDUSSCGKSA-N 437.418 4.340 5 20 IIBD COCCCCN(C(=O)Cc1cccc([N+](=O)[O-])c1C)c1ccc(Br)cn1 485496528 TVXYCUJVSKAQIP-UHFFFAOYSA-N 436.306 4.063 5 20 IIBD COC(=O)c1c(Br)ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1C 486282747 JVVIYYUDDKRTAD-UHFFFAOYSA-N 439.287 4.183 5 20 IIBD CC(C)N(C)C(=O)C1CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 486839236 LHVLAYOQZFLFIB-UHFFFAOYSA-N 441.553 4.465 5 20 IIBD Cc1ccc(-n2cnc3c2CCN(C(=O)Cn2c4ccccc4c(=O)c4ccccc42)C3)cc1 489463458 HZHRDJVSACTVGX-UHFFFAOYSA-N 448.526 4.234 5 20 IIBD O=C(c1cnn(-c2cccc(Br)c2)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 492910827 HBJKGQULTPWBHB-UHFFFAOYSA-N 441.285 4.348 5 20 IIBD Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)C2)c1 493082990 VTRBOILIODZWMB-HXUWFJFHSA-N 435.524 4.255 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cc(Cl)ccc2N2CCCCC2)cc1[N+](=O)[O-] 493932457 BRCHADNJPSASEE-OAHLLOKOSA-N 444.919 4.363 5 20 IIBD O=C(C1CCN(c2ccc3cccc(O)c3n2)CC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 498047383 ICIWQHAIGFCXPG-UHFFFAOYSA-N 446.507 4.256 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCCC(=O)Nc2ccccc2)cc1 499533544 ZVRXJIFGWCDNKB-UHFFFAOYSA-N 435.436 4.154 5 20 IIBD Nc1cccc([N+](=O)[O-])c1C(=O)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 499585409 IWFLXVXMPKSCRK-UHFFFAOYSA-N 440.500 4.003 5 20 IIBD Cc1nn(CCC(=O)Nc2cc(-c3ccsc3)nn2-c2ccccc2)c(C)c1[N+](=O)[O-] 500176987 TWIQXKLCKFSNNO-UHFFFAOYSA-N 436.497 4.351 5 20 IIBD CN(c1ccccc1)c1ccc(CNCc2cc(S(C)(=O)=O)ccc2F)cc1[N+](=O)[O-] 500399643 GFWVXGJPDZXCFP-UHFFFAOYSA-N 443.500 4.195 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1CN1CCCC1=O 502660644 LTCAJYTUTWSQSC-UHFFFAOYSA-N 427.526 4.149 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCCc2c[nH]c3ncccc23)cc1 505458886 DBLCDRCQEFJQPG-UHFFFAOYSA-N 432.436 4.245 5 20 IIBD O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 505784166 MYIHBFRTKLWCIP-UHFFFAOYSA-N 430.892 4.315 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 505932837 BPAHRCUSVHPNAE-OAQYLSRUSA-N 425.529 4.006 5 20 IIBD Cc1cc(I)cc(NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 506235369 UTKNDHLJNQDLPE-UHFFFAOYSA-N 436.209 4.170 5 20 IIBD Cc1ccc(S(=O)(=O)N(C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)c([N+](=O)[O-])c1 509764031 UCZJXXGPRAZRLW-UHFFFAOYSA-N 446.447 4.282 5 20 IIBD COc1cc(C(=O)NCc2ccc3c(c2)nc(C)n3C2CC2)c([N+](=O)[O-])cc1OC(F)F 510777488 KKNWSOHCRFZICD-UHFFFAOYSA-N 446.410 4.128 5 20 IIBD COC1CN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc([N+](=O)[O-])cc2)CCC3)C1 511328694 VVDGDSKURPMPRT-GHRIWEEISA-N 429.476 4.491 5 20 IIBD CCc1cc(=Nc2ccc(OCc3nc(C)no3)cc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 511666911 PEZGQSQQUTVBCQ-UHFFFAOYSA-N 432.440 4.050 5 20 IIBD Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)s1 513344772 CFZXWNUXZCQTLK-AWEZNQCLSA-N 429.527 4.222 5 20 IIBD Cc1noc(C)c1[C@H](C)CC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 513809806 QFTRMVIBBNEURN-GFCCVEGCSA-N 440.422 4.061 5 20 IIBD C[C@@H]1CCCN(Cc2ccccc2CN[C@@H](c2cccc([N+](=O)[O-])c2)c2nccn2C)C1 514092901 HAGJWXUNIPUUOW-DVECYGJZSA-N 433.556 4.439 5 20 IIBD Cc1ccccc1CN(Cc1cccnc1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 516132742 VNLXCMNCMVTVEM-UHFFFAOYSA-N 427.464 4.327 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 516786174 JJIHUOMGJQHHEU-UHFFFAOYSA-N 434.886 4.425 5 20 IIBD O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N(Cc1ccccc1)Cc1ccccc1F 519887478 QUZQFGMTDSLNAD-UHFFFAOYSA-N 431.427 4.157 5 20 IIBD Cc1nccn1C[C@@H](C)CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 520224137 OQECURKNFUAYSN-HNNXBMFYSA-N 441.919 4.431 5 20 IIBD O=[N+]([O-])c1cccc(-n2cc(-c3nc(-c4ccccc4OCc4ccccc4)no3)nn2)c1 521049789 QTXKLYRJUICMTP-UHFFFAOYSA-N 440.419 4.472 5 20 IIBD O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC(=O)c1cc(O)nc2cc(F)ccc12 523496682 JHYOAMMABGMTBI-UHFFFAOYSA-N 431.379 4.471 5 20 IIBD O=C(CNC(=O)c1sc2ccccc2c1Cl)NCCCCc1ccc([N+](=O)[O-])cc1 524147781 LDLOLQFAJAOMCU-UHFFFAOYSA-N 445.928 4.332 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)NCCC(=O)Nc3cccnc3)cc2[N+](=O)[O-])cc1 524319988 MHQRUTLFNQSLIT-UHFFFAOYSA-N 436.493 4.208 5 20 IIBD O=C(Nc1ccc(CCO)cc1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 531021919 NEBNYSIDKGXGQP-UHFFFAOYSA-N 437.418 4.004 5 20 IIBD CCN1CCc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)sc2C1 534268957 MJFODCDULPABNP-UHFFFAOYSA-N 437.525 4.294 5 20 IIBD CCOc1cc2c(cc1CNC(=O)c1ccnc(-c3ccccc3)c1[N+](=O)[O-])O[C@H](C)C2 539975561 KRDRQQSQXIKROV-OAHLLOKOSA-N 433.464 4.309 5 20 IIBD Cc1c(Br)cc(C(=O)N[C@H](CO)c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] 540026518 HBUPAACYDUASIL-CQSZACIVSA-N 447.207 4.148 5 20 IIBD C[C@@H](C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1)c1ccc([N+](=O)[O-])cc1F 541832533 KGGRUSHZBYKWLP-GFCCVEGCSA-N 449.866 4.074 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(OCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)n1 542912634 OJHJBOBVYHVURR-HNNXBMFYSA-N 426.454 4.018 5 20 IIBD CC[C@H](C(=O)N1CCC(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1)c1ccccc1 543550340 BNGIDWALTZXLFR-UZLBHIALSA-N 441.503 4.138 5 20 IIBD C[C@H](C(=O)NCc1ccccc1CN(C)Cc1ccco1)c1ccc([N+](=O)[O-])cc1F 544564601 FKDUUUVKRQDFMK-INIZCTEOSA-N 425.460 4.379 5 20 IIBD COc1cc(-c2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)cc(OC)c1Br 545854216 FSQLDLNNRMJZIB-UHFFFAOYSA-N 434.246 4.324 5 20 IIBD Cc1ccc(C(=O)CCC(=O)CCc2nc(Cc3cccc([N+](=O)[O-])c3C)no2)s1 547193334 XTQTUVHGPHZXIU-UHFFFAOYSA-N 427.482 4.412 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCO[C@H](COC(C)C)C3)cc2[N+](=O)[O-])cc1 547784811 BDNOKQLRRWWRCE-SFHVURJKSA-N 430.526 4.320 5 20 IIBD O=c1oc2cc(Br)c(F)cc2n1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F 549063910 QEGDIVXNHLWMOE-UHFFFAOYSA-N 435.127 4.471 5 20 IIBD CN(Cc1ccco1)Cc1ccccc1CN[C@@H](c1cccc([N+](=O)[O-])c1)c1nccn1C 552043175 BQVZDLPCWKUHFX-DEOSSOPVSA-N 445.523 4.433 5 20 IIBD Cn1ccnc1[C@@H](NCCc1cccc(OCC(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 556877209 GKNJXGNYRZISTF-IBGZPJMESA-N 434.418 4.191 5 20 IIBD O=C(c1ccccc1[N+](=O)[O-])N1CCN(Cc2c(OC(F)F)ccc3ccccc23)CC1 556962155 WAJZOQZRHJJQGY-UHFFFAOYSA-N 441.434 4.307 5 20 IIBD Cc1cc(C)c(Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)c(OCc2ccccc2)n1 557748282 MMNALVAVHXXCPL-UHFFFAOYSA-N 442.475 4.458 5 20 IIBD O=C(NCc1ccc(Cn2cncn2)cc1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 561955203 VYSGVLHBJAJSGK-UHFFFAOYSA-N 445.504 4.316 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(Cc2cn3cccc(C)c3n2)no1 567961703 KYAVYQMQASPWFL-UHFFFAOYSA-N 428.246 4.263 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](OCC1CC1)c1ccc(Cl)cc1 572533701 VWYJCTYHEYBAAC-FQEVSTJZSA-N 445.903 4.033 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)NC[C@@H]1CCCOC1 573164020 CVHOHTDFJCUDMV-AWEZNQCLSA-N 437.855 4.405 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC(F)(c3cc(OC)cc(OC)c3)CC2)c1 582372594 GPBFOFZXRLYUML-UHFFFAOYSA-N 432.448 4.112 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 585699680 BLRGZFCXXFAQIA-NXEZZACHSA-N 449.145 4.479 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccc(CC(=O)N(C)c2ccccc2)cc1 604010684 OGTOUTYMQRSLMA-UHFFFAOYSA-N 432.480 4.159 5 20 IIBD O=C(CSc1nnc(-c2ccc3ccccc3c2)o1)NCCNc1ccc([N+](=O)[O-])cc1 604044929 UKOKWAYGTAJJCI-UHFFFAOYSA-N 449.492 4.118 5 20 IIBD COc1ccc(CN(Cc2ccccc2)C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cc1 608936247 XSNNVQNBDRXUFW-UHFFFAOYSA-N 434.448 4.217 5 20 IIBD C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 609545799 RTKCUOSOYFTKKJ-BDJLRTHQSA-N 431.297 4.052 5 20 IIBD COC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1cccc(C(F)(F)F)c1 610046333 WIQNFIZRMAQLDO-OAHLLOKOSA-N 447.207 4.494 5 20 IIBD CC(C)(C(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1)c1ccc([N+](=O)[O-])cc1 610063412 FGVFLAZGYYCKKA-INIZCTEOSA-N 438.459 4.468 5 20 IIBD O=C(CCSc1ccc2c(c1)OCCCO2)Nc1cc([N+](=O)[O-])ccc1OC(F)F 610152807 JUQOPFGPERWRMT-UHFFFAOYSA-N 440.424 4.478 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N[C@@H](CN2CCCCC2)c2ccccc2)c([N+](=O)[O-])c1 610279277 PYHNTOLLKPIEQP-NRFANRHFSA-N 433.512 4.198 5 20 IIBD Cc1c(Br)cc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] 611073070 ZALZTMTWVFCLFV-RKDXNWHRSA-N 449.145 4.479 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCCc2ccc(S(C)(=O)=O)cc21 611399204 ZTVMRMSLCBWDRA-UHFFFAOYSA-N 434.539 4.092 5 20 IIBD CSc1cccc(C(=O)N2CCN([C@H](C)c3nc4ccccc4s3)CC2)c1[N+](=O)[O-] 614394273 SJVGVGPIZVSYAU-CQSZACIVSA-N 442.566 4.445 5 20 IIBD O=C(NC[C@H](Oc1ccc(F)cc1)C(=O)O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 617731551 XZCUEQNDOOJXHU-SFHVURJKSA-N 448.472 4.031 5 20 IIBD C[C@@H](Sc1nnc(NCCc2cccs2)s1)C(=O)Nc1ccccc1[N+](=O)[O-] 619563902 AMMPZOCWBRHXRC-LLVKDONJSA-N 435.556 4.282 5 20 IIBD C[C@H](OC(=O)CC[C@@H](O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 726870696 KNIUQQAYOJNYNU-MGPUTAFESA-N 428.485 4.276 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 727932699 WBWWBXXTRBKCNC-QWHCGFSZSA-N 439.251 4.196 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)cc1SC 728651816 XYGBKFHOTSTINL-NSHDSACASA-N 438.889 4.471 5 20 IIBD COC(=O)c1cc(C)ccc1OC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 729107621 VQHVUFBQJHNDQV-OAHLLOKOSA-N 435.436 4.477 5 20 IIBD Cc1ccc(-n2nc(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)c3c2CCCC3)cc1 731086259 QXQWSYVNYAHKQM-UHFFFAOYSA-N 448.479 4.072 5 20 IIBD Cn1cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(-c2ccccc2Cl)n1 731262115 USUVAHRHCFHDNY-UHFFFAOYSA-N 449.250 4.098 5 20 IIBD O=C(NS(=O)(=O)c1cc([N+](=O)[O-])cs1)c1ccc(CSc2ccccc2)cc1 732623528 WFJYBTFOMDTBGY-UHFFFAOYSA-N 434.520 4.067 5 20 IIBD CCN(C(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@@H](c1ccc(C)cc1)c1cccnc1 732963754 QRPOJOSBDMGMTI-DEOSSOPVSA-N 433.464 4.128 5 20 IIBD C[C@H](OC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)C(=O)Nc1ccc(C(C)(C)C)cc1 735352536 KOBNRLNJEJWKJR-ZDUSSCGKSA-N 437.452 4.330 5 20 IIBD O=C(COC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)Nc1ccccc1-c1ccccc1 735353868 OLCLBUKRNILXRU-UHFFFAOYSA-N 443.415 4.311 5 20 IIBD COc1ccc(SCCC(=O)OC2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)cc1 739380819 NRYJORQTAOEOQR-UHFFFAOYSA-N 446.525 4.306 5 20 IIBD Cc1ccc(NC(=O)COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c(Br)c1 740392395 WZDIZHZRYUQCCO-UHFFFAOYSA-N 435.274 4.125 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)N[C@@H](CCO)C1CC1 741417481 BVIOZQXQJXBXSH-KRWDZBQOSA-N 437.855 4.140 5 20 IIBD CN(CC(=O)Nc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)c1ccccc1[N+](=O)[O-] 742637906 GDTFNMHMPCWGHC-UHFFFAOYSA-N 440.500 4.357 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)OC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)n2)cc1F 743126701 CIUGZHPUFTXENC-CYBMUJFWSA-N 437.387 4.196 5 20 IIBD COc1cc(Cl)c(C(=O)COC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC 745567647 OUSKJUFTLNLJDP-UHFFFAOYSA-N 447.749 4.324 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@H](C)c1ccc(Br)s1 745642512 IWKGRPARDHMDLK-SNVBAGLBSA-N 427.276 4.013 5 20 IIBD CCc1ccc(NC(=O)c2nnc(COC(=O)c3ccc(CC)c([N+](=O)[O-])c3)s2)cc1 747009989 CBOPFHUBUMNGES-UHFFFAOYSA-N 440.481 4.180 5 20 IIBD O=C(Nc1cccc(Cl)c1)N1CCCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 749937603 DGGYNBJNHYXPML-UHFFFAOYSA-N 437.283 4.282 5 20 IIBD C[C@H](OC(=O)c1c(F)cccc1Br)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 750378595 QZAAGFPPNJEIET-QMMMGPOBSA-N 445.628 4.334 5 20 IIBD Cc1ccccc1[C@@H](CC(C)C)NC(=O)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 751277672 KZQYTIJOJURCQG-OAHLLOKOSA-N 429.429 4.100 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 751512096 PHCKWYXVKZKWMB-ZDUSSCGKSA-N 443.953 4.104 5 20 IIBD O=C(NCCc1ccn(-c2ccc(F)cc2)n1)Nc1ccc(Br)c([N+](=O)[O-])c1 755029339 RRKIYSPAGPNHMM-UHFFFAOYSA-N 448.252 4.046 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1c[nH]c2ccc(Br)cc12 756022941 VZRYBTBAIVOXJC-UHFFFAOYSA-N 443.213 4.246 5 20 IIBD Cc1nc(C)c(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)s1 757241794 MXWDELPXZDNZIX-UHFFFAOYSA-N 429.424 4.041 5 20 IIBD O=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1Br 758302554 MXVIZBLZKMKBJP-GFCCVEGCSA-N 439.237 4.307 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccccc2CCC(F)(F)F)c([N+](=O)[O-])c1 758929743 UNOPWAOJSFCVCG-LBPRGKRZSA-N 440.374 4.282 5 20 IIBD COc1ccc(C(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)c(I)c1 760547390 OHUBMUSBLHSBKF-UHFFFAOYSA-N 446.628 4.422 5 20 IIBD O=C1COc2cc(-c3nc(-c4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)no3)ccc2N1 761859087 SNGQCGLAQCWULF-UHFFFAOYSA-N 430.376 4.435 5 20 IIBD O=C(/C=C\c1ccccc1)N1CCC(c2nc(CCNc3ccccc3[N+](=O)[O-])no2)CC1 761968830 MBLQYIYAEJWBQK-KHPPLWFESA-N 447.495 4.052 5 20 IIBD CC(C)[C@H](NC(=O)OC(C)(C)C)c1noc(CCOc2ccc(Cl)cc2[N+](=O)[O-])n1 762031018 XWCXMMIKQAPXTM-INIZCTEOSA-N 440.884 4.475 5 20 IIBD CC[C@H](NC(=O)OC(C)(C)C)c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 762259654 ALWIJIXTHOVJDE-ZDUSSCGKSA-N 441.282 4.307 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Oc1ccc(N2CCCC2)cc1 762570594 TUNKEIPDECGEOR-UHFFFAOYSA-N 430.482 4.069 5 20 IIBD Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2I)cnn1C1CCCC1 768745974 RGKHJFAHTGUEDQ-UHFFFAOYSA-N 440.241 4.072 5 20 IIBD CCCOc1ccccc1Oc1ncccc1CNS(=O)(=O)c1csc([N+](=O)[O-])c1 768807061 HEKLJESISHOFJR-UHFFFAOYSA-N 449.510 4.111 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 771093980 SSSWDENCQLTWKB-UHFFFAOYSA-N 435.933 4.467 5 20 IIBD C[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(S(=O)(=O)N2CCCCC2)cc1 773041198 OPBURLOHHKTGFX-OAHLLOKOSA-N 437.949 4.274 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2nnc(Cc3cccc4ccccc34)o2)ccc1Cl 775095916 QKLHWBLXFPRCFA-UHFFFAOYSA-N 444.856 4.176 5 20 IIBD COc1ccc(COCCOC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1 781258170 QWHXJMHOXGQSET-UHFFFAOYSA-N 439.414 4.342 5 20 IIBD O=C(O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccc2[nH]c3ccccc3c(=O)c2c1 781508429 PSLYKDSUFYFVHD-VQTJNVASSA-N 432.436 4.127 5 20 IIBD COc1ccccc1/C=C(\C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 785586245 CPJIPTXHHZYUDD-FXBPSFAMSA-N 432.480 4.204 5 20 IIBD Cn1ccnc1[C@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 787295611 MWGSFTHCQALZBQ-QGZVFWFLSA-N 435.362 4.135 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Oc1ccc(Oc2ncc(Br)cn2)cc1 789730448 JCVNJVAARCYRSB-UHFFFAOYSA-N 430.214 4.088 5 20 IIBD O=C(N[C@H]1CCCOc2ccccc21)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 790692287 PEAKQWKDWJZJCE-KRWDZBQOSA-N 446.301 4.339 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)cc([N+](=O)[O-])c1C 791689177 OYAGYGUMFCNUMR-UONOGXRCSA-N 426.425 4.081 5 20 IIBD NC(=O)c1cccnc1COC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 793258010 MSXNOJPFDADSFZ-UHFFFAOYSA-N 443.868 4.250 5 20 IIBD O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)Nc2ccnc(Sc3ccccn3)c2)c1 795321445 ZHCNMVSVBWLRPW-UHFFFAOYSA-N 440.865 4.129 5 20 IIBD O=C(OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc2nc(-c3ccccc3)oc2c1 796044875 WRKURQHSPZLQQZ-UHFFFAOYSA-N 443.415 4.149 5 20 IIBD CC(C)N(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccc(CC(=O)N(C)C)cc1 799446843 DHYSMDOQJPBKRP-UHFFFAOYSA-N 425.510 4.495 5 20 IIBD CC(C)N(C(=O)c1cccc([N+](=O)[O-])c1Br)c1ccc(CC(=O)N(C)C)cc1 799447349 DVTHFTMAGPRBJB-UHFFFAOYSA-N 448.317 4.043 5 20 IIBD Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C(F)(F)F)CC[C@@H]1C 799796784 SMQOTOZZRIEHEI-UWVGGRQHSA-N 445.257 4.017 5 20 IIBD CCS(=O)(=O)c1ccc([C@H](C)Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1 804720718 MZOQBMAEVSGEQW-JTQLQIEISA-N 447.391 4.489 5 20 IIBD C[C@H](OC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)c1nncn1C 805351762 ONEVVYJWEXDIKH-NSHDSACASA-N 441.494 4.402 5 20 IIBD CC(C)(C)c1ncc(C(=O)O[C@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])cn1 808998363 GEBICFQCHPWHDT-OAHLLOKOSA-N 436.306 4.490 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)C[C@H]1c1ccccc1F 812133668 RYPUWIPSTUTGDP-YWZLYKJASA-N 425.464 4.226 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C 813543027 HWSMEJWJVKWVGG-PWSUYJOCSA-N 432.304 4.419 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)c1 814428163 JPWCJKVSMKRPML-DLBZAZTESA-N 447.532 4.103 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cccc([N+](=O)[O-])c1Cl 816806808 NRBMTQXHNALTJE-UHFFFAOYSA-N 440.681 4.030 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 817655693 DXOAWFORWBBMQB-MSOLQXFVSA-N 431.533 4.403 5 20 IIBD CCOC(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)cc1 821150525 GDIISOVAFPNSHX-UHFFFAOYSA-N 434.257 4.271 5 20 IIBD Cc1c(C(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cnn1-c1cccc(Cl)c1 914669786 VEHVHHKIPILQDE-UHFFFAOYSA-N 449.250 4.191 5 20 IIBD CCOc1ccc(-c2nc(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)cs2)cc1 914819762 MPRPLLYTXSWLEA-UHFFFAOYSA-N 442.449 4.341 5 20 IIBD CCCc1noc2nc(C3CC3)cc(C(=O)O[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])c12 915578199 ZJMUPBXDMYSZRF-GFCCVEGCSA-N 438.440 4.145 5 20 IIBD O=C1N[C@]2(CCCCc3ccccc32)C(=O)N1Cc1c(Br)cccc1[N+](=O)[O-] 915659175 QZLJXHBKMXQMQS-FQEVSTJZSA-N 444.285 4.031 5 20 IIBD COc1cc(CNc2ccc3c(c2)NC(=O)CO3)ccc1OCc1ccc([N+](=O)[O-])cc1 916840669 QBZBIYBFCSWGQU-UHFFFAOYSA-N 435.436 4.125 5 20 IIBD O=C(COc1ccc(S(=O)(=O)c2ccccc2)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 917403799 XTWQEEMGWYOXDD-UHFFFAOYSA-N 446.868 4.099 5 20 IIBD Cc1cnn(CCC(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)c1 918483713 MOXVBXCHZBVBEO-UHFFFAOYSA-N 428.832 4.001 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1I)c1ccc(F)cc1F 918768561 GTKWIUPKQFPYIF-MRVPVSSYSA-N 433.148 4.396 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)N(Cn1nc(-c3ccncc3)n(Cc3ccco3)c1=S)CC2 919947223 HSKQQQKKHNVGFB-UHFFFAOYSA-N 434.481 4.046 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(F)cc2OC(F)F)c([N+](=O)[O-])c1 1320626755 VMROCQYVIWLPSH-WDEREUQCSA-N 427.379 4.022 5 20 IIBD CCCCn1c([C@@H](CC)N(C)C)nn(CN2CCc3ccc([N+](=O)[O-])cc3C2)c1=S 1322474045 AURBKHZIJHWTBP-LJQANCHMSA-N 432.594 4.151 5 20 IIBD Nc1c(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc(Br)cc1[N+](=O)[O-] 1325247594 RNMVNVWAJIRSPT-UHFFFAOYSA-N 436.596 4.447 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(N[C@H]3CCCc4c3cnn4Cc3ccccc3)CC2)cc1 1337504937 WOACQKYWHRNBNO-DEOSSOPVSA-N 431.540 4.476 5 20 IIBD O=C(Cc1cc(F)ccc1[N+](=O)[O-])NC1(c2ccc(NC(=O)c3ccccn3)cc2)CCC1 1787297836 JWSWLVFQOKWLGD-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD Cc1[nH]ccc1C(=O)Nc1ccc(C2(NC(=O)c3cccc(F)c3[N+](=O)[O-])CCC2)cc1 1788806500 VUOIXBPGMPZAFI-UHFFFAOYSA-N 436.443 4.432 5 20 IIBD C/C(=C\c1cccs1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])o1)C2 1792530459 MWJTWNZLSPNLND-XZERQZBASA-N 441.509 4.004 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/C1CCCC1 1800116701 KMYLJCMSHDVDEK-SJXSPGMASA-N 429.492 4.041 5 20 IIBD CCC(=O)N1CCCC2(CCN(C(=O)CCCc3cc(C)c(F)cc3[N+](=O)[O-])CC2)C1 1809055611 IKEBLHDQSGGRCO-UHFFFAOYSA-N 433.524 4.006 5 20 IIBD Cc1c(C(=O)N2CCC3(CCCN(C(=O)C(C)(C)C)C3)CC2)cc(Cl)cc1[N+](=O)[O-] 1809136981 ZQNIUWSFSKUPPK-UHFFFAOYSA-N 435.952 4.448 5 20 IIBD Cc1cccc(F)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823615621 KNJJYOVPTZPCAH-SFHVURJKSA-N 443.475 4.182 5 20 IIBD Cc1c(C(=O)N2CCCC23CN(C(=O)C2(C(C)C)CCC2)C3)cc(Cl)cc1[N+](=O)[O-] 1845500290 LFGCGGYABZKQLT-UHFFFAOYSA-N 433.936 4.200 5 20 IIBD CC(C)c1ccc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CCc2cccc([N+](=O)[O-])c2)cc1 1847995503 KCBQCBQDLYCPJJ-ZEQRLZLVSA-N 449.551 4.095 5 20 IIBD C[C@H](Sc1nncn1CCc1cccs1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 11105637 OPUWAJGEJHSUAN-NSHDSACASA-N 437.934 4.263 5 20 IIBD Cc1ccc(C)c(NC(=O)Cc2nc(COC(=O)Cc3ccccc3[N+](=O)[O-])cs2)c1 11468392 LXORKFLOZOQSDL-UHFFFAOYSA-N 439.493 4.135 5 20 IIBD O=C(Nc1ccc(Cl)cc1F)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 15591790 UJOOJAUPXGOMGH-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1ccccc1 16827763 XOYOZVIGPPGLKQ-ZDUSSCGKSA-N 427.486 4.001 5 20 IIBD Cc1ccn2c(=O)cc(COC(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)nc2c1 18377605 FUBBYVSZYCULEN-UHFFFAOYSA-N 430.420 4.012 5 20 IIBD CCOC(=O)Cc1csc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n1 21488021 JQAHBUZPSDLGRG-UHFFFAOYSA-N 440.481 4.021 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)cc2[N+](=O)[O-])C1 22229096 MAQBVVYCZKWRIV-HOTGVXAUSA-N 436.512 4.222 5 20 IIBD Cn1c(SCC(=O)NCCc2ccc(Cl)cc2)nc2cc3ccccc3cc2c1=O 22254677 GTSSWGIIKODZEW-UHFFFAOYSA-N 437.952 4.191 5 20 IIBD C[C@H](OC(=O)CSc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(C(F)(F)F)c1 25068400 NNFOCOVNJFSQTQ-NSHDSACASA-N 428.388 4.276 5 20 IIBD Cc1cc(OCC(=O)Nc2ccc(F)c(-c3nnc4n3CCCCC4)c2)ccc1[N+](=O)[O-] 26332557 RGSDYIDRUUYFHM-UHFFFAOYSA-N 439.447 4.045 5 20 IIBD O=C(CCSc1nnc(NCc2ccc(F)cc2)s1)Nc1ccccc1[N+](=O)[O-] 26416383 AGDKNJPXENDSFX-UHFFFAOYSA-N 433.490 4.318 5 20 IIBD CCOc1ccc(CCC2CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)CC2)cc1 27811116 YBYWVNMNJDUYDF-UHFFFAOYSA-N 426.469 4.207 5 20 IIBD O=[N+]([O-])c1ccc(N2CCCN(c3ccc([N+](=O)[O-])c4cccnc34)CC2)c2ncccc12 45221726 OJIXAPBZRFBATI-UHFFFAOYSA-N 444.451 4.316 5 20 IIBD COc1cc(C(=O)N[C@@H](C)CCc2ccc(Br)cc2)c([N+](=O)[O-])cc1OC 65125234 FEADPQRZAVTQRF-LBPRGKRZSA-N 437.290 4.126 5 20 IIBD COC(=O)c1occc1COC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(C)cs1 105297918 YOBACMUMVCCCDN-UHFFFAOYSA-N 434.451 4.248 5 20 IIBD Cc1cc(NC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)n(-c2ccc([N+](=O)[O-])cc2)n1 105527812 HTZSOTWDTPZPKX-UHFFFAOYSA-N 449.511 4.145 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 195674249 HPIOYJCZEAHJHT-ICSRJNTNSA-N 438.311 4.129 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CCN(CC(F)(F)F)C3)o2)c(Br)c1 237868475 DMYQTPYTGCDDIH-NSHDSACASA-N 448.239 4.344 5 20 IIBD O=C(O)CCN(Cc1ccc(F)c(F)c1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 238136679 CLHYKAPOCFXLLD-UHFFFAOYSA-N 447.419 4.114 5 20 IIBD COc1ccc([C@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c2ccc(F)cc2)cc1 301074248 GKWJYVIKSPVKEF-OAQYLSRUSA-N 430.457 4.348 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(Cc2cccc(Cl)c2)CC1 302745082 FOYOJYXVNDWHQQ-HNNXBMFYSA-N 427.892 4.177 5 20 IIBD O=C(Nc1ccc(-c2nccs2)cc1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303458300 LDOQEQNLXPJQAZ-AWEZNQCLSA-N 428.495 4.023 5 20 IIBD COc1cc(OC)cc(Oc2ccc(CN3CCC(n4ccc([N+](=O)[O-])n4)CC3)cc2)c1 425955958 AYIVIFWTHRLXGE-UHFFFAOYSA-N 438.484 4.438 5 20 IIBD O=[N+]([O-])c1cccc(Oc2ccc(-c3noc(-c4cc(Cn5cccn5)on4)n3)cc2)c1 426418058 VINWVJKABRYNKI-UHFFFAOYSA-N 430.380 4.337 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)c1ncc(C)s1 426879082 OJRPTPZCHOUYPP-CYBMUJFWSA-N 448.526 4.342 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](C)C(=O)N(Cc2ccccc2)c2ccccc21 427400855 WUPYKCBNOGLWDS-QGZVFWFLSA-N 445.475 4.433 5 20 IIBD Cc1nn(-c2ccccc2)cc1CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C 435322688 FXQIKYUPBAQCAR-UHFFFAOYSA-N 444.289 4.482 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 439894308 CSUKMGXUBUWTLN-SFHVURJKSA-N 437.399 4.200 5 20 IIBD O=C(NCc1ccncc1OCC(F)F)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 441152153 WCOLEMVPINZOAX-UHFFFAOYSA-N 442.422 4.176 5 20 IIBD COCCn1c(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)nc2ccccc21 444329332 VOFXSZYDZBVNGZ-UHFFFAOYSA-N 448.429 4.208 5 20 IIBD O=C(Cc1noc(-c2ccc(Cl)cc2[N+](=O)[O-])n1)Nc1ccccc1Br 445469795 HRXFJRNBVXAFDZ-UHFFFAOYSA-N 437.637 4.242 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCCc1ccc(OC(F)(F)F)cc1 445806246 UCWPTYOENCQXOY-UHFFFAOYSA-N 447.207 4.157 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCO[C@@H](c2ccccc2Cl)C1 446185260 UVACCAAMSQYESS-QGZVFWFLSA-N 439.693 4.153 5 20 IIBD C[C@@H]1SCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)[C@@H]1c1ccccc1 447038782 OWMZACJLRXCUAF-SJCJKPOMSA-N 446.472 4.481 5 20 IIBD C[C@@H]1CCCN(c2ccc(C(=O)N3CCC(c4noc(C5CC5)n4)CC3)cc2[N+](=O)[O-])C1 462902070 ZDFQQQOKDRIRFA-OAHLLOKOSA-N 439.516 4.111 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(NC[C@H](OC)c2cccc(Cl)c2)c([N+](=O)[O-])c1 462949943 DJXMNOLEVPDNQD-IBGZPJMESA-N 441.937 4.078 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC(C)(C)c1cccc(Br)c1 464040258 HWNCCDQGOQNDRB-UHFFFAOYSA-N 448.317 4.007 5 20 IIBD COc1c(C(=O)N2CCOc3c(Cl)cc(Br)cc32)cccc1[N+](=O)[O-] 464672001 VAKQPINCZGOUMF-UHFFFAOYSA-N 427.638 4.059 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)N[C@@H]1CCSC1 465972247 JEEYYFBFDDIKEA-GFCCVEGCSA-N 425.869 4.484 5 20 IIBD CC(=O)N1CCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C(C)(C)C1 466724958 OCFMWTPRHOXYNH-UHFFFAOYSA-N 447.944 4.482 5 20 IIBD NC(=O)CC1CCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CC1 466845068 ZPYICQNSEPYUGS-UHFFFAOYSA-N 433.917 4.127 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O 467736896 FTNNZUNXSNNJAV-XMCHAPAWSA-N 426.463 4.115 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[C@H](C)c1cccc(C(F)(F)F)c1 467791037 YWWRGAIFQHGZJC-LBPRGKRZSA-N 432.420 4.094 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(F)cc(F)c2Br)cc1OC 468282007 OJLSTIPUXAWBCS-UHFFFAOYSA-N 431.189 4.295 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CCCCC[C@@H]2CC(=O)c2ccco2)cc([N+](=O)[O-])c1 469118164 XAXXDJPAUDEATM-QGZVFWFLSA-N 428.441 4.022 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CC[C@H](C)[C@H](n4ccnc4)C3)cc2[N+](=O)[O-])n1 469381814 QTPZBUIXIZLZJM-SUMWQHHRSA-N 443.554 4.431 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)Cc2ccccc2Br)cc1OC 470150751 DSSXGEZUBSXWOV-LBPRGKRZSA-N 437.290 4.126 5 20 IIBD Cc1nc(CN(C)[C@H]2CCCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)no1 475630327 ZLBHKZDGSHCJBZ-SFHVURJKSA-N 425.489 4.033 5 20 IIBD CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)Cc1c([N+](=O)[O-])ncn1C 476663702 OOLJXVVBEXXHQK-UHFFFAOYSA-N 436.903 4.466 5 20 IIBD NC(=O)c1ccccc1Oc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 477395250 DMJUYLUFPNWDQM-UHFFFAOYSA-N 425.828 4.321 5 20 IIBD O=C(N[C@H](CO)c1c(Cl)cccc1Cl)c1cc(Br)cc([N+](=O)[O-])c1 478438406 XYQAAARMMPTBOQ-CYBMUJFWSA-N 434.073 4.128 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 479635498 CRFKOQJFOAVITM-QGZVFWFLSA-N 447.495 4.356 5 20 IIBD COc1cccc(C2=CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Br)CC2)c1 479885352 IEAKCGRXNBGXGP-UHFFFAOYSA-N 446.301 4.094 5 20 IIBD Cc1cc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])ccc1NC(=O)c1ccco1 480186392 XTRLTFYFUJSNRQ-UHFFFAOYSA-N 429.454 4.166 5 20 IIBD COc1ccccc1-c1nc(C2CCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)CC2)no1 481205280 NAMWZFSPERETAB-UHFFFAOYSA-N 447.451 4.155 5 20 IIBD Cc1c(CNC(=O)[C@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)cccc1[N+](=O)[O-] 481463440 HEBSEUPURFLEEY-XMMPIXPASA-N 433.508 4.056 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(Cl)c(C(=O)NC2CC2)c1 481664942 CIKGQWCEISGUSX-UHFFFAOYSA-N 437.283 4.158 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)cc1SC 482041612 RYTXBDRTDAEEDA-UHFFFAOYSA-N 438.889 4.070 5 20 IIBD CCOc1ccc(C(=O)N[C@H](C)c2ccc(NC(=O)N(CC)CC)cc2)cc1[N+](=O)[O-] 483301627 VSAVFQKRUPGADY-OAHLLOKOSA-N 428.489 4.358 5 20 IIBD Cc1ccc(CNC(=O)c2sc(Br)cc2[N+](=O)[O-])c(OCC2CC2)c1 486199119 VNTBDTPTONCRNB-UHFFFAOYSA-N 425.304 4.446 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCCC(=O)Nc2cccc(Cl)c2C)cc1SC 486559092 IUSGVRVPLBYYGC-UHFFFAOYSA-N 437.905 4.046 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 486817256 GVSGSVQDDOLSTM-KRWDZBQOSA-N 443.569 4.289 5 20 IIBD O=C(NC1(c2cccc(OC(F)(F)F)c2)CCOCC1)c1cc(F)cc([N+](=O)[O-])c1 486919825 JNQVDNMLLVRUBS-UHFFFAOYSA-N 428.338 4.068 5 20 IIBD O=C1Nc2cc(Cl)ccc2[C@H]1C1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 486920861 PGBKIWMKMHXFON-GOSISDBHSA-N 439.859 4.251 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1nc2cc(F)ccc2n1C 487181164 YWWPQLWMCVGWHG-UHFFFAOYSA-N 430.505 4.341 5 20 IIBD Cc1ccc(CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c(OC[C@H]2CCCO2)c1 489572746 HVCINGWUVGNGPE-GOSISDBHSA-N 427.501 4.196 5 20 IIBD Cc1c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)oc2ccc(Br)cc12 490366939 NLIXUYHSZKUBFS-UHFFFAOYSA-N 442.229 4.449 5 20 IIBD COc1ccccc1Oc1ccc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])cc1 494504084 NBPJJPJASDJAAW-UHFFFAOYSA-N 428.466 4.380 5 20 IIBD COCCN(Cc1ccc(Br)s1)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] 494839009 VJHAJSXSNGONGR-LBPRGKRZSA-N 442.335 4.338 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 495456518 DGQOOOXYLLXQRQ-CQSZACIVSA-N 435.415 4.081 5 20 IIBD CNC(=O)c1ccc(N(CCOC)[C@H](C)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 498980825 XIVPWXPFEXKBLX-CYBMUJFWSA-N 425.407 4.187 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CCCc3cc(Cl)ccc32)ccc1[N+](=O)[O-] 500230759 LPRXBEXQKKBPRW-HXUWFJFHSA-N 427.888 4.141 5 20 IIBD CCCOc1ccc(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cn1 502547412 QCIMFIICKUAQKC-MRXNPFEDSA-N 435.484 4.277 5 20 IIBD CC(C)c1cccc(C(C)C)c1NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 503152499 OAJLGBWDQXKINH-UHFFFAOYSA-N 433.530 4.149 5 20 IIBD O=C(COc1c([N+](=O)[O-])cnc2ccc(Br)cc12)N1CCC[C@@H]2CCCC[C@H]21 508162267 KHCZQQBQHUOIQU-SUMWQHHRSA-N 448.317 4.466 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3nc4ccc(Cl)cn4n3)cc2[N+](=O)[O-])C1 508318761 VKURBNCLYLNQMA-BETUJISGSA-N 428.880 4.026 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CCCOc1ccc2c(c1)CCC(=O)N2 509732048 YKTYKOCHGJONEM-UHFFFAOYSA-N 425.485 4.076 5 20 IIBD O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 510110045 VOOUSIQNOSPHPI-UHFFFAOYSA-N 429.904 4.301 5 20 IIBD Cc1c(Br)cc(C(=O)NC2(c3cccc(F)c3)CCOCC2)cc1[N+](=O)[O-] 510373754 FURDYALPXUNWMM-UHFFFAOYSA-N 437.265 4.241 5 20 IIBD Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)cc1[N+](=O)[O-] 511395343 QTJUYNNQOGWRCC-DOTOQJQBSA-N 435.402 4.313 5 20 IIBD C[C@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 511540955 NETQDIZCLJRLIQ-SNVBAGLBSA-N 427.791 4.008 5 20 IIBD Nc1c(C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)cc(F)cc1[N+](=O)[O-] 511885402 LGEGPIVLIZBSRW-UHFFFAOYSA-N 445.454 4.158 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc(Cl)cn1 513828938 SJFLPKXVUHGYEU-SECBINFHSA-N 445.644 4.047 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC1(c2ccc(F)cc2)CCOCC1 518573319 MFOXZTFBNFTKRR-UHFFFAOYSA-N 437.265 4.241 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@@H](C2CCCCC2)N(C)C)cc1[N+](=O)[O-])c1ccccn1 518784639 KVCNGFPARRRGGC-SBUREZEXSA-N 439.560 4.403 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCOc1ccc(Cl)cc1Br 519108825 FJNNYEYRWGBETF-UHFFFAOYSA-N 429.654 4.427 5 20 IIBD Cc1cc(F)c(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c(I)c1 519680430 MNBMIPDMXHLYOH-SNVBAGLBSA-N 428.201 4.389 5 20 IIBD COc1cc(OCC(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)ccc1[N+](=O)[O-] 519973708 YRDBEUOHOSHJGX-UHFFFAOYSA-N 438.484 4.163 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 520540966 ZKUDDLMBSJCPHW-JTQLQIEISA-N 429.429 4.386 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3[nH]2)ccc1O 521144532 PPZRYJZOCLCFOE-UHFFFAOYSA-N 444.856 4.298 5 20 IIBD COC(=O)[C@@H](C)NC(=O)c1ccc(N[C@H](C)c2cccc(Cl)c2Cl)c([N+](=O)[O-])c1 522760163 UJFFBOBBUQOODH-GHMZBOCLSA-N 440.283 4.366 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2sccc2C(=O)C(C)(C)C)cc1[N+](=O)[O-] 524045364 HXZHSXUYNHVPHZ-UHFFFAOYSA-N 445.526 4.417 5 20 IIBD CCOc1ccc(Br)cc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 524383155 QWRMOZDWHWIPDW-UHFFFAOYSA-N 435.683 4.210 5 20 IIBD C[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)Sc1ccc(Br)cc1 524686843 NGQOUVGQZGDVEG-GFCCVEGCSA-N 425.304 4.033 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCC(Oc3ccccn3)CC2)cc1[N+](=O)[O-])c1ccccn1 524812955 RXCDPPRMHZCYDM-QGZVFWFLSA-N 447.495 4.242 5 20 IIBD Cc1c(NC(=O)[C@@H](C)N2CCC(C(=O)c3cc(F)ccc3F)CC2)cccc1[N+](=O)[O-] 533242360 ULRWBEOIXAZFEP-CQSZACIVSA-N 431.439 4.103 5 20 IIBD O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)c1c[nH]c2cccc([N+](=O)[O-])c12 535697035 UEKKHNOIUNILBX-ZDUSSCGKSA-N 443.301 4.095 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 536802751 URZZKRFRDCTOKW-UHFFFAOYSA-N 443.332 4.489 5 20 IIBD Cc1sc2nc([C@@H](C)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)nc(N)c2c1C 537047880 UUYRGBJHLQQCAT-CYBMUJFWSA-N 427.530 4.403 5 20 IIBD Cc1c(Br)cc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] 537246187 CIOGKDVQKMRCSL-DOTOQJQBSA-N 441.228 4.204 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCSc3ccccc32)c(Br)c1 539235540 WINIMFWDJFQEHI-UHFFFAOYSA-N 429.317 4.048 5 20 IIBD Cc1cnn([C@H]2CCCc3ccccc32)c1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] 539597464 NSZRBTABYLBGSW-NRFANRHFSA-N 440.525 4.010 5 20 IIBD CN(c1ccccc1)c1ccc(CN2CCC(OC[C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] 541558713 PCUIBJFEXPNCJG-HXUWFJFHSA-N 425.529 4.380 5 20 IIBD CCc1[nH]nc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c1-c1ccc2c(c1)OCO2 541789481 VHHJKSWQCIRXPH-LLVKDONJSA-N 426.404 4.157 5 20 IIBD Cc1ccnn1-c1ccccc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 542237500 YCPCDHSJVNZEOE-UHFFFAOYSA-N 427.269 4.197 5 20 IIBD C[C@H](C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1)c1ccc([N+](=O)[O-])cc1F 542550822 HFTBDEXTWODIIH-LBPRGKRZSA-N 426.404 4.316 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 543163268 DKDDYAGQIYTGCX-UHFFFAOYSA-N 436.415 4.208 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc(OCc2ccccn2)c(F)c1 543329502 ONOYDEBRULQNMY-UHFFFAOYSA-N 426.404 4.038 5 20 IIBD COCC[C@@H](Cc1ccco1)NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 544063099 WDABATSJYVZWOJ-HNNXBMFYSA-N 447.538 4.482 5 20 IIBD C[C@@H](C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1)c1ccc([N+](=O)[O-])cc1F 544523136 QOZGMNSWYQERBZ-KZULUSFZSA-N 437.265 4.200 5 20 IIBD Cc1ccc2nc(COc3cccc(-c4nc(Cc5ccc([N+](=O)[O-])cn5)no4)c3)cn2c1 545787163 YMWUITXUZHJMJP-UHFFFAOYSA-N 442.435 4.166 5 20 IIBD Cc1c(Br)cc(-c2nc(-c3cccnc3OCC(F)F)no2)cc1[N+](=O)[O-] 547258927 TXQGLYLTVYWQHT-UHFFFAOYSA-N 441.188 4.422 5 20 IIBD CC(C)(C)c1ccc(C(=O)NCCc2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)cc1 547266372 RFVQTVBNSGYHNJ-UHFFFAOYSA-N 447.495 4.320 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)NC2(c3ccc(Cl)cc3)CCC2)cc1OC 551376212 CMBCTMJVHCONAF-UHFFFAOYSA-N 434.876 4.091 5 20 IIBD CC[C@H](C)N(Cc1ccccc1)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 551470956 ZDDCIXMTRLFRFD-ZDUSSCGKSA-N 434.290 4.123 5 20 IIBD CN(Cc1ccco1)Cc1ccccc1CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] 553889697 PUOKFNBEHIWWCI-UHFFFAOYSA-N 436.512 4.204 5 20 IIBD O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CCc2cc(Cl)ccc21 557099007 ZXLADXGWWORURP-UHFFFAOYSA-N 428.613 4.056 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@H](c2ccc(C(C)(C)C)cc2)C(C)C)cc1[N+](=O)[O-] 559029557 PSEQWQAMBBBNIQ-FQEVSTJZSA-N 427.501 4.353 5 20 IIBD Cc1ccc(C)c([C@@H](C)N(C)C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c1 560181105 PPEWNSGKSAGOQW-CYBMUJFWSA-N 434.290 4.132 5 20 IIBD C[C@H](NC(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1Cl 561514991 UOAFKIOMIZPXHN-ZDUSSCGKSA-N 438.311 4.218 5 20 IIBD CC(C)(Cc1nc(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)no1)C1CCCCC1 566588369 YTNOOUXFFOVXTD-UHFFFAOYSA-N 444.488 4.079 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 578043914 WVNSIHHTNWJNGW-HNNXBMFYSA-N 433.338 4.380 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H]2c2cc3c(cc2OCC)C[C@@H](C)O3)c1 579862763 GHVQWHKCYQFUGD-VVFCZOMOSA-N 426.469 4.002 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCC(F)(F)[C@@H](C)C2)c([N+](=O)[O-])c1 580806970 JNXWQUJNHQSOIJ-HNNXBMFYSA-N 439.484 4.292 5 20 IIBD O=C(N[C@H]1CC[C@](O)(C(F)(F)F)C1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 590433155 SGONHVYOYVDRPK-SCLBCKFNSA-N 432.464 4.453 5 20 IIBD Cc1c(C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)oc2c1ccc1ccccc12 590530997 SMBZERMUUYCHRX-UHFFFAOYSA-N 443.459 4.401 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@H]1CCCC[C@H]1O 590538085 PDCKUVDFDVTQNF-ZTFGCOKTSA-N 425.323 4.212 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1Cl 591773424 QBZCOCBWZIIWFH-UHFFFAOYSA-N 441.875 4.494 5 20 IIBD COC(=O)c1ccc(C)c(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1 603454187 CEHNWMMZMYFIKV-GASCZTMLSA-N 425.485 4.424 5 20 IIBD O=[N+]([O-])c1ccc(OCCCSc2nnc(N3CCCCC3)n2Cc2ccco2)cc1 603946837 QQADSVADDLMJES-UHFFFAOYSA-N 443.529 4.379 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N(CCc1ccccc1)Cc1ccncc1 608887132 ODZHZJCHGKVBQG-UHFFFAOYSA-N 431.901 4.077 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(CC(C)C)C(C)C)cc2)cc1[N+](=O)[O-] 608959433 CREHCBDLXRJWAD-UHFFFAOYSA-N 433.530 4.211 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc([C@@H](C)N2CCOCC2)c1 609209243 GHUDGUPTIPPPJF-GOSISDBHSA-N 426.517 4.431 5 20 IIBD COc1ccc(CNC(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)cc1[N+](=O)[O-] 609212753 USFOFUJEZAYHOD-UHFFFAOYSA-N 434.880 4.059 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccc(I)c1 609722352 ABYHOIXIBCUYKK-UHFFFAOYSA-N 446.628 4.260 5 20 IIBD CN(Cc1ccccc1)C(=O)CNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609782184 SWGGJQHGLSTNFG-UHFFFAOYSA-N 434.452 4.167 5 20 IIBD Cn1ccnc1[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(Cl)cc1 610037903 OILHDRIWQMJNEC-INIZCTEOSA-N 449.692 4.264 5 20 IIBD O=C(Nc1ccc(CCC(=O)N2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1Br 610042396 UOGCJYOIDUVELA-UHFFFAOYSA-N 446.301 4.165 5 20 IIBD COc1ccc(Cl)cc1C[C@@H]1CCCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 610162666 QLZGOYWZYPNRMY-INIZCTEOSA-N 438.933 4.041 5 20 IIBD Cc1ccccc1-n1nc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)c2c1CCC2 610210308 IMKCGBUDTGBWLZ-QHCPKHFHSA-N 434.521 4.465 5 20 IIBD CCOC(=O)c1sc(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)nc1C 610547537 JWEPWBREAOFHKN-UHFFFAOYSA-N 441.465 4.259 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ncnc4ccc([N+](=O)[O-])cc34)cc2)cc1 611699492 DJIWILFBKNVEAY-UHFFFAOYSA-N 436.449 4.440 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H](Cn2cnc3ccccc32)C1 619544280 DFIYATPAOFWKGI-HOTGVXAUSA-N 442.903 4.304 5 20 IIBD CN1C(=O)COc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3SC3CCCC3)ccc21 619608714 AGZFLUKCMMPTRC-UHFFFAOYSA-N 427.482 4.237 5 20 IIBD CCOc1ccc(-c2nc(COC(=O)c3ccc([N+](=O)[O-])c(OC)c3)cs2)cc1OC 725945544 INRDFGGEACPEDJ-UHFFFAOYSA-N 444.465 4.491 5 20 IIBD COc1ccc(NC(=O)CCN2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 731483522 XPMIHPDGYIRWFN-JOCHJYFZSA-N 447.919 4.031 5 20 IIBD C[C@@H](Oc1ccc(C(=O)O[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cn1)c1ccccc1 731512571 LBKBTCOVCQEZNY-IERDGZPVSA-N 447.447 4.092 5 20 IIBD CC(C)(CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])c1c(Cl)cccc1Cl 731631805 DRZVTHIMRRYSRK-UHFFFAOYSA-N 425.268 4.187 5 20 IIBD C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-] 734892117 WANVYWNCSNBSEN-VIFPVBQESA-N 431.659 4.417 5 20 IIBD COc1cc(NC(=O)C(C)C)c(C(=O)OCc2cc([N+](=O)[O-])ccc2Cl)cc1OC 734975040 LADLJGCTZILSLE-UHFFFAOYSA-N 436.848 4.217 5 20 IIBD CC(C)Oc1cccc([C@H](O)CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 735121589 SGQPCXJYHJSYOV-XMMPIXPASA-N 449.507 4.458 5 20 IIBD O=C(OCc1cn2cc(Cl)cc(Cl)c2n1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 735352961 QLUCPRNTGINULQ-UHFFFAOYSA-N 433.207 4.160 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)CCNC(=O)c1ccc(Br)cc1 735802692 DSHJPOHAXSHRLU-UHFFFAOYSA-N 440.681 4.078 5 20 IIBD CC(=O)Nc1ccc(OC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cc1 735991402 UPMHAZKLFXHZFW-UHFFFAOYSA-N 435.223 4.265 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@@H](C)Oc3ccc4c(c3)CCC4)CC2)ccc1[N+](=O)[O-] 739380282 LQQLOXCGFLWTAQ-MRXNPFEDSA-N 440.496 4.072 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(NCCC(=O)Nc2cccc(Cl)c2C)cc1Cl 741751025 OWYSXUSBJVBZAY-UHFFFAOYSA-N 426.256 4.437 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)cc1[N+](=O)[O-] 741929602 UGRWXBVGXPEHNY-UHFFFAOYSA-N 446.891 4.203 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(=O)NC[C@@H](C)c1ccccc1 744554915 YITIQIJFXZODRV-MSOLQXFVSA-N 439.512 4.050 5 20 IIBD C[C@@H](OC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1)c1cccc([N+](=O)[O-])c1 744579369 JSYSEJGBOFQWMM-CQSZACIVSA-N 446.506 4.053 5 20 IIBD C[C@H](OC(=O)[C@H](C)c1ccc(Br)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1 745640233 SETGCBDMVXWYQG-ZJUUUORDSA-N 427.276 4.093 5 20 IIBD CC(C)N(CCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)OC(C)(C)C 751002141 AIGOKNUENSICPL-UHFFFAOYSA-N 444.326 4.123 5 20 IIBD COc1ccc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1OCc1cn2ccccc2n1 751099315 IYFXPUDCQZTOAY-UHFFFAOYSA-N 436.399 4.222 5 20 IIBD CCSc1ccc(CC(=O)OC[C@@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])cc1 752495322 OKQZZSBHEGNGKD-KRWDZBQOSA-N 428.510 4.097 5 20 IIBD Cc1ccc(CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)c(OC[C@H]2CCCO2)c1 757776799 ZISZHSTXRUMDDD-GOSISDBHSA-N 427.457 4.030 5 20 IIBD Cc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2Br)c(OC[C@@H]2CCCO2)c1 758668235 ZOFONTIPMAQZEF-HNNXBMFYSA-N 449.301 4.154 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2C[C@@H](C)OC[C@@H]2c2ccccc2)c1=S 765047735 AHLIAGNETNLUHA-OXQOHEQNSA-N 439.541 4.429 5 20 IIBD Cc1c(Br)cccc1COC(=O)c1cc(Br)ncc1[N+](=O)[O-] 769838185 HQWLOYDZTUQWSQ-UHFFFAOYSA-N 430.052 4.180 5 20 IIBD COc1cc2c(c(OC)c1OC)CCN(c1ccc([N+](=O)[O-])cc1C(F)(F)F)CC2 770475152 INNMHOPKJZGQCC-UHFFFAOYSA-N 426.391 4.245 5 20 IIBD Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] 771469014 NRRXIVORSNDDCR-QGZVFWFLSA-N 439.903 4.452 5 20 IIBD Cc1ccc([C@@H](O)CNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)cc1 772690388 DLQNGNZKPNENOL-KRWDZBQOSA-N 429.523 4.283 5 20 IIBD CC(C)c1ncc(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)s1 773282526 IANXTROPRQSGFQ-MRXNPFEDSA-N 431.514 4.417 5 20 IIBD CC(C)(C)OCc1ccccc1C(=O)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 773703534 CGOZFTGNVNNTFD-UHFFFAOYSA-N 428.441 4.065 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1CCCN(C(=O)c3cccc4ccccc34)C1)CC2 774217881 IBAIWHPVXLUJPC-FQEVSTJZSA-N 443.503 4.498 5 20 IIBD C[C@H](Nc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1)c1ccccc1[N+](=O)[O-] 774409003 JGSJFPPDOLQDEA-INIZCTEOSA-N 431.448 4.443 5 20 IIBD CN(C(=O)[C@H]1CC(c2c(F)cccc2F)=NO1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 775495555 KKETZKKRVPSUDL-QGZVFWFLSA-N 444.419 4.153 5 20 IIBD COc1cc(CNC[C@@H]2COC3(CCCCCC3)O2)c([N+](=O)[O-])cc1OCC(F)(F)F 776958724 GMHQQYYPFTUFIP-OAHLLOKOSA-N 448.438 4.100 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1I)N1CCC(c2ccsc2)CC1 777081117 NGBSTONBAVSAOU-UHFFFAOYSA-N 442.278 4.281 5 20 IIBD Cc1cc(Br)c2c(c1)CN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)CC2 777896746 VQXOQLJNDGRNSI-UHFFFAOYSA-N 434.246 4.081 5 20 IIBD CCN([C@@H](C)Cc1ccsc1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 778137877 MJZAVTZRXCLXQK-NSHDSACASA-N 433.349 4.061 5 20 IIBD COc1ccc(NC(=O)c2ccccc2NC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)cc1 778222648 ABAJZDIICJEWPU-UHFFFAOYSA-N 449.448 4.113 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(N2CCCC2=O)c(Cl)c1 778254881 XXMXBLWOLFBTRG-UHFFFAOYSA-N 437.283 4.393 5 20 IIBD Cc1oc(-c2cccs2)nc1CC(=O)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 778800872 GVFYMBGJWJEDJR-CQSZACIVSA-N 431.445 4.123 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N(Cc1ccccc1)C[C@H](O)c1ccco1 779385861 VAQAHXVOBCBWSQ-FQEVSTJZSA-N 443.887 4.329 5 20 IIBD C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 780926383 SGNAGCHIBJUMEW-LAJNKCICSA-N 440.421 4.341 5 20 IIBD O=C(Nc1ccc(COCc2ccccc2)cc1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781681875 MUDIMDVVILJKND-HSZRJFAPSA-N 431.448 4.443 5 20 IIBD O=C(Nc1nc(CN2CCCCC2)cs1)c1cccc([N+](=O)[O-])c1Br 782164170 ODCNULLGYDAXOJ-UHFFFAOYSA-N 425.308 4.052 5 20 IIBD Cn1ccnc1COc1ccc(COC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1 783911458 DKBVZNFEENOVSO-UHFFFAOYSA-N 447.900 4.396 5 20 IIBD CC1CCN(c2ccc(C(=O)OCc3noc(-c4cccs4)n3)cc2[N+](=O)[O-])CC1 784694592 MYZQJUTXNRAPMV-UHFFFAOYSA-N 428.470 4.300 5 20 IIBD CC1CCN(CCc2cccc(NC(=O)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c2)CC1 785170833 AWWQJBRKAXOIRA-UHFFFAOYSA-N 444.919 4.100 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[C@@H](O)c1ccc(F)cc1 786389477 CSGQLUUHNNCXQV-BMLIUANNSA-N 425.254 4.047 5 20 IIBD CC[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H](O)c1c(F)cccc1F 787341036 KIHDRVPRCJOGKH-WBVHZDCISA-N 447.360 4.203 5 20 IIBD O=C(Nc1nc(Br)ccc1O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 787902582 BWKJMNDNRSMANQ-UHFFFAOYSA-N 444.241 4.289 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H]1c1nc(-c2cccc(Br)c2)no1 789377207 LDRHSSZOVQWBNR-GFCCVEGCSA-N 449.286 4.446 5 20 IIBD Cc1cnc(COC(=O)CCSc2ncnc3sc(C)c(C)c23)c(C)c1[N+](=O)[O-] 789443404 AQJHFFTWHHWBRI-UHFFFAOYSA-N 432.527 4.454 5 20 IIBD Cc1c(CNC(=O)N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)cccc1[N+](=O)[O-] 790564952 PWNGGDXSLOJJFT-UHFFFAOYSA-N 434.537 4.082 5 20 IIBD CNC(=O)c1cc(Oc2cccc(OC(=O)c3cc([N+](=O)[O-])cc(C)c3F)c2C)ccn1 790832298 WZNMMBKDQJYEKI-UHFFFAOYSA-N 439.399 4.117 5 20 IIBD CN(C)c1cc(F)c(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccsc2)cc1[N+](=O)[O-] 791222104 OPFJXSIWAUHILE-NRFANRHFSA-N 443.500 4.237 5 20 IIBD Cc1ccc(F)cc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 792471795 DYEXUWYUPTXGPN-NSHDSACASA-N 439.237 4.297 5 20 IIBD CCC(=O)c1ccc(N2CCN([C@H](C)c3nc(-c4ccccc4)no3)CC2)c([N+](=O)[O-])c1 795075675 RNKMNMZKHMTJHY-MRXNPFEDSA-N 435.484 4.121 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)Nc1nc(-c2ccc(F)cc2)cs1 795709127 KZHQSCCMOPGNIV-UHFFFAOYSA-N 445.428 4.052 5 20 IIBD Cc1ccccc1-c1noc(C)c1C(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 796679486 VWNWHAJZPZHQSJ-UHFFFAOYSA-N 436.468 4.335 5 20 IIBD CCCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1c(OC)ccc2nc(Cl)ccc12 799548304 NWTYEFWWUWHPNC-UHFFFAOYSA-N 435.889 4.410 5 20 IIBD CC1([C@H]2CCCN(C(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])C2)OCCO1 799720906 XMAULCAWZNPBMR-INIZCTEOSA-N 428.510 4.361 5 20 IIBD CCCN([C@H](C)CC(=O)Nc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] 800171962 AMBLTJHHJJYVAJ-CQSZACIVSA-N 439.921 4.066 5 20 IIBD O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1ccc(Cl)c2ncccc12 802064096 WLLWHOHMWSEPJS-UHFFFAOYSA-N 426.860 4.265 5 20 IIBD C[C@H](Cn1ccc2ccccc21)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 803795899 MYSWTWGKRUCXOZ-CYBMUJFWSA-N 449.385 4.386 5 20 IIBD O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1cccc(-c2noc(C(F)(F)F)n2)c1 805633472 LLFRHOHZMGPPDH-UHFFFAOYSA-N 434.286 4.162 5 20 IIBD C[C@@H](OC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C(=O)C1(c2ccccc2)CC1 808504366 CXYTXCBFUMZDHC-CYBMUJFWSA-N 437.370 4.382 5 20 IIBD Cc1ccc(CN2CC[C@H](CN(C)CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C2)s1 809559455 QNHFIKJDNGYLJL-OAHLLOKOSA-N 436.965 4.011 5 20 IIBD CN(Cc1cccc2ccccc12)C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810352424 QGPBXWPGSBCMHZ-UHFFFAOYSA-N 442.269 4.108 5 20 IIBD COc1ccc([C@@H](O)C2CCN([C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CC2)cc1 812858826 CUZGRSGCCLNWFE-LHSJRXKWSA-N 447.919 4.029 5 20 IIBD O=C(CCc1ncc(-c2ccccc2F)o1)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 813172912 STMRSRNCQHAPQO-SFHVURJKSA-N 439.443 4.139 5 20 IIBD C[C@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccc2ccccc2c1 846274402 ROIUWFZVULWERO-KRWDZBQOSA-N 447.491 4.382 5 20 IIBD Cc1cccc(O[C@H](C)C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 848977142 IJTMJBVZNGBICM-QWHCGFSZSA-N 440.374 4.260 5 20 IIBD CC1=C(C(=O)N(C)C)[C@@H](c2ccccc2[N+](=O)[O-])NC(=S)N1c1ccccc1Cl 887570770 CZLRAVPAMDKPQE-GOSISDBHSA-N 430.917 4.046 5 20 IIBD CCCCOc1cc(/C=C2/N=C(c3ccc(OC)c([N+](=O)[O-])c3)OC2=O)ccc1OC 912754684 QUGHNAHYCMDBLB-LFIBNONCSA-N 426.425 4.135 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 915806067 DXMJKHAPLKSJCM-UHFFFAOYSA-N 436.409 4.065 5 20 IIBD COc1ccc(C2=NN(C(=O)CNc3cc([N+](=O)[O-])ccc3F)[C@H](c3ccco3)C2)cc1 916732126 JFUMJEPMTKAGSG-FQEVSTJZSA-N 438.415 4.125 5 20 IIBD O=C(NCc1ccc(Cl)nc1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 917723885 BHWJFQUAPSUSMN-UHFFFAOYSA-N 442.825 4.195 5 20 IIBD O=C(OCC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)c1cc([N+](=O)[O-])ccc1F 919251598 HKXBHYFUFBOSTR-OAQYLSRUSA-N 434.423 4.065 5 20 IIBD C[C@@H](OC(=O)c1ccc(-c2ccccc2)nc1O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 919297304 GSUYESJPPIVAGN-GFCCVEGCSA-N 441.827 4.200 5 20 IIBD O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 919489917 BRNILIVOAKVRQM-UHFFFAOYSA-N 446.897 4.387 5 20 IIBD CC(C)(C)c1ccc(SCC(=O)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 920331299 KAUXUXJEHFXRRI-UHFFFAOYSA-N 442.946 4.143 5 20 IIBD COC(=O)c1cc(NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c(C)cc1Br 1117362339 MYQTVCWPXQSXJY-UHFFFAOYSA-N 434.246 4.000 5 20 IIBD COc1c(C(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])cnn1-c1ccccc1 1122721512 WKXATMCSJZWCFB-OAQYLSRUSA-N 430.420 4.131 5 20 IIBD COC(=O)[C@@H](NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1ccc(OC)c(O)c1 1321869706 XCNSHWWUSSWRJX-FQEVSTJZSA-N 446.843 4.226 5 20 IIBD CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(Cc3ccccc3)cc2[N+](=O)[O-])cc1F 1322333469 IFXWMCAIWVKQPG-UHFFFAOYSA-N 444.440 4.051 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCc1nnc([C@H]2Cc3ccccc3CN2Cc2ccccc2)o1 1322972796 HELVWQPFTWJSKL-OAQYLSRUSA-N 444.495 4.025 5 20 IIBD O=[N+]([O-])c1cc(Cl)c(OS(=O)(=O)c2c(F)cccc2Br)cc1F 1327876392 WYPUSRLWVCAAPS-UHFFFAOYSA-N 428.594 4.057 5 20 IIBD O=C(NCc1nnc(-c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)o1)c1cccs1 1345937844 ZLLGLECTCOGTNU-UHFFFAOYSA-N 435.465 4.248 5 20 IIBD CC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])C3)CCCC1 1792667355 AXAHXTLNXCJBMP-BCDXTJNWSA-N 433.936 4.009 5 20 IIBD Cc1ccc([C@@H](C)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1 1804344497 ASRZAGOFPISROJ-YRRCWQSASA-N 447.535 4.358 5 20 IIBD C[C@H](C(=O)N1CCC2(CCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)CC1)c1ccccc1 1804752986 QTCUPRYBVGKVAF-FQEVSTJZSA-N 449.551 4.172 5 20 IIBD O=[N+]([O-])c1cc2c(c(CSc3nnc(-c4ccc(OC(F)F)cc4)o3)c1)OCOC2 3551312 CDHQXMJMZLSKJH-UHFFFAOYSA-N 437.380 4.405 5 20 IIBD C[C@@H](NC(=O)COC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 11314968 YIKAQPWNFOLMLJ-GFCCVEGCSA-N 440.283 4.124 5 20 IIBD CCNc1ccc(C(=O)Nc2nc(-c3cc(OC)ccc3OC)cs2)cc1[N+](=O)[O-] 14791590 WRPGQVIYSJXSIG-UHFFFAOYSA-N 428.470 4.420 5 20 IIBD C[C@@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)Nc1cccc(Br)c1 15798201 XZSIACQBTPYRRA-SECBINFHSA-N 427.638 4.195 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1csc(-c2ccc(Cl)cc2)n1 16457326 KLMJLMJVMUWRAW-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD C[C@@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(F)(F)F 16720166 QRKHSJPAHMBOEW-LLVKDONJSA-N 428.388 4.276 5 20 IIBD COc1cc(CCNC(=S)Nc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC 16946440 GCJRRRNOFIWQJP-UHFFFAOYSA-N 429.420 4.160 5 20 IIBD O=C(COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(N2CCCCCC2)cc1 18170420 XNTJPHXXVLSPIO-UHFFFAOYSA-N 431.876 4.424 5 20 IIBD CCOc1cc(C(=O)OCc2cc(Cl)c3c(c2)OCCCO3)c([N+](=O)[O-])cc1OC 19356246 PGWLYXQTKKNRAZ-UHFFFAOYSA-N 437.832 4.174 5 20 IIBD CCNC(=O)COc1ccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1 25650816 RUZAIVFWPBQARS-UHFFFAOYSA-N 434.452 4.106 5 20 IIBD CCN(CC)C(=O)COC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 26426607 ZYKFIVLVVYWMPE-UHFFFAOYSA-N 445.522 4.381 5 20 IIBD CC(=O)NCc1ccc(-c2nc(NC(=O)c3cccc([N+](=O)[O-])c3C)sc2C)s1 30157118 KWIZYUYUECVWOB-UHFFFAOYSA-N 430.511 4.285 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1cc(C(=O)NC2CC2)c2ccccc2n1 31782184 GQCGMMFSLYSBSK-UHFFFAOYSA-N 436.493 4.074 5 20 IIBD CCCCn1c(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)nc2ccccc2c1=O 31841228 HZWCLTKETYEHMI-UHFFFAOYSA-N 437.481 4.447 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2CN2CCC(C)CC2)cc1OC 60441206 XDEGKMDOMJMEQV-UHFFFAOYSA-N 441.528 4.164 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1cccc(NC(=O)C2CCCC2)c1 64421225 KMCSOYLJNMUFEG-CQSZACIVSA-N 445.903 4.461 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(-n2cnc3ccccc32)nc1 109519239 RAVCZDGFZQPIEL-HNNXBMFYSA-N 433.493 4.126 5 20 IIBD COc1ccc([C@@H](CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)N2CCOCC2)cc1 237326278 TXNXBFLQJLEYKI-HSZRJFAPSA-N 437.496 4.027 5 20 IIBD O=C1CCCN1CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)c2ccccc21 301545947 DRJSHVHJFZVUTB-CYBMUJFWSA-N 431.290 4.000 5 20 IIBD Cc1cc(Br)c2c(c1)CN(c1ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c1)CC2 302398833 JNRAPVORLOAOTG-UHFFFAOYSA-N 444.329 4.464 5 20 IIBD COc1cc(OCC(=O)N[C@H](C)c2sc(-c3ccc(F)cc3)nc2C)ccc1[N+](=O)[O-] 303281607 UPSKAHGGCNZLIV-GFCCVEGCSA-N 445.472 4.431 5 20 IIBD COc1cc(CCNC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c([N+](=O)[O-])cc1OC 410183157 ADXFZUGGFQTCDQ-INIZCTEOSA-N 430.501 4.170 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1cccc(Cn2ccnc2)c1 410187448 INEZBLONBOEDNM-UHFFFAOYSA-N 426.432 4.323 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)c(Cl)c1 427793205 NQERGZNCBYWNDS-LBPRGKRZSA-N 441.962 4.152 5 20 IIBD Cc1noc(-c2ccc(C(F)(F)F)cc2NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)n1 432462278 HKJDFLOEHKEMHF-UHFFFAOYSA-N 448.404 4.143 5 20 IIBD Cc1cnc([C@@H](C)CNc2nc(NC[C@@H](C)c3ncc(C)s3)ccc2[N+](=O)[O-])s1 433763084 UKDBUUFMQHLSBS-NEPJUHHUSA-N 432.575 4.951 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)N2[C@H]3CCC[C@H]2CC3)cc([N+](=O)[O-])c1C 439012919 ZIAZYYGXLMPNFQ-IRXDYDNUSA-N 443.525 4.170 5 20 IIBD CN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 441829116 VZBLDZLAABRNGE-ROUUACIJSA-N 435.402 4.347 5 20 IIBD O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CC[C@H](OCCN2CCCC2)C1 442658227 ZEQMIVIMTITQNX-SFHVURJKSA-N 441.553 4.073 5 20 IIBD O=C(NCCOCC(F)(F)C(F)F)c1ccccc1Sc1ccccc1[N+](=O)[O-] 442794598 AMCKQXHQFDPGDW-UHFFFAOYSA-N 432.395 4.393 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cc(C)c(OCC(=O)N2CCCCC2)c(C)c1 444726927 JMNJFDWRJYHZOR-UHFFFAOYSA-N 439.512 4.472 5 20 IIBD Cc1cc(Br)c(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1Cl 445957325 PYBFCDDFVIXVGC-UHFFFAOYSA-N 427.638 4.343 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)NCc1cc(Br)ccc1OC(F)F 446146809 XRELHLFWXYLQHP-UHFFFAOYSA-N 429.217 4.208 5 20 IIBD Cn1cnnc1Sc1ccc(-c2nc(C3(c4ccccc4)CCC3)no2)cc1[N+](=O)[O-] 460136239 OOUMHOBNBMDJPL-UHFFFAOYSA-N 434.481 4.395 5 20 IIBD O=C(CCc1ncc(-c2ccccc2Br)o1)NCCc1ccccc1[N+](=O)[O-] 460484059 VMYHVTHAVPFOHG-UHFFFAOYSA-N 444.285 4.304 5 20 IIBD COCCOCc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)cc1 463295183 YHPUPDSSUFGZCA-UHFFFAOYSA-N 434.448 4.241 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 463945220 ALJXZKSAPUIDCU-OAHLLOKOSA-N 441.406 4.134 5 20 IIBD Cc1cc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)ccc1I 466435751 YACVGCDFVJLKMQ-UHFFFAOYSA-N 444.656 4.020 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CCC(F)(c2cccc(Cl)c2)CC1 466887018 HJPRRSUYDKUHAS-UHFFFAOYSA-N 447.894 4.186 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)N(Cc1cccc(Br)c1)C1CCOCC1 468156560 YRYHTEABYSALDT-UHFFFAOYSA-N 449.301 4.187 5 20 IIBD C[C@@H](O)C[C@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 469066524 RNIFVOVOYXEFAY-XMSQKQJNSA-N 433.508 4.491 5 20 IIBD Cc1cc(C(=O)NCC(=O)Nc2cc(Cl)ccc2OCC2CCC2)ccc1[N+](=O)[O-] 469878300 FBTNUGDPJPVLSJ-UHFFFAOYSA-N 431.876 4.104 5 20 IIBD CC(C)(C)[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c2ccccc21 470300648 YZDQPIZATPDNNW-NVXWUHKLSA-N 427.526 4.437 5 20 IIBD CC(C)Cn1c(SCc2c([N+](=O)[O-])ncn2C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 476521258 HNGXFPRDWRSYSR-GFCCVEGCSA-N 447.586 4.173 5 20 IIBD CCn1ncnc1CNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 478095220 HUCKRWOAOPCDLA-WJDWOHSUSA-N 448.508 4.063 5 20 IIBD COC(=O)c1cc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1[N+](=O)[O-] 481898188 NAAULQLGILGNIP-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(N3CCCCCC3)nc2)cc1SC 484697319 UWBPQKMJMQPNMZ-UHFFFAOYSA-N 430.530 4.031 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@H](c2ccccc2F)C1 484873908 VQMZXUMEMVVORM-GJZGRUSLSA-N 446.500 4.455 5 20 IIBD CC[C@H](Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)c1cccc(S(N)(=O)=O)c1 485393551 OCCNEBBYRAXGMD-KRWDZBQOSA-N 430.461 4.007 5 20 IIBD COc1ccc(CCNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1OC 486317558 DCPXCHDNRDWCJL-UHFFFAOYSA-N 436.464 4.164 5 20 IIBD Cc1ccc([C@H](C)NC(=O)CSc2nncn2-c2cccc(Cl)c2)cc1[N+](=O)[O-] 488009187 MXLDRRDVMBUYPQ-ZDUSSCGKSA-N 431.905 4.107 5 20 IIBD Cc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)cc1[N+](=O)[O-] 490434193 GFOMWDCKWNBPDV-UGSOOPFHSA-N 444.431 4.073 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 493536443 IBBSSQVHGMGJGT-INIZCTEOSA-N 433.333 4.418 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc(COC(C)(C)C)c2C)cc1[N+](=O)[O-] 493914521 AQVRTACGATXOMZ-MRXNPFEDSA-N 427.501 4.343 5 20 IIBD CN(Cc1cc(Br)ccc1Cl)C(=O)NCCc1ccc([N+](=O)[O-])cc1 494580684 UNPJJULUBRPHEZ-UHFFFAOYSA-N 426.698 4.395 5 20 IIBD Cc1cn(-c2ccc(Cl)cc2)nc1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 499509034 YPNLEHKZITYKTA-UHFFFAOYSA-N 427.269 4.197 5 20 IIBD COc1ccc(CNC(=O)N2Cc3cc(Br)ccc3C[C@@H]2C)cc1[N+](=O)[O-] 499755363 DEISACFBFBHDMV-LBPRGKRZSA-N 434.290 4.022 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCO[C@H](c2cccc(Br)c2)C1 500288083 MPMPUKIAKRIHQE-SFHVURJKSA-N 431.242 4.317 5 20 IIBD Cn1c(SCC(=O)Nc2nc3ccccc3s2)nc2cc3ccccc3cc2c1=O 501592741 NDQZRNPYQNKQNR-UHFFFAOYSA-N 432.530 4.427 5 20 IIBD COCc1cc(CNC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)ccc1F 502330861 HMPMFBKQLHXYSZ-HZPDHXFCSA-N 429.492 4.293 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1ccccc1Oc1ccccc1 506141996 CYVCJCAKBHGFAF-IRXDYDNUSA-N 433.464 4.383 5 20 IIBD CN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccc(Br)cc1Cl 508175894 XSBNRYVCXKHUGK-UHFFFAOYSA-N 435.665 4.473 5 20 IIBD COc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)cc1 509155838 UJSZUBSNXFKVNR-NSHDSACASA-N 440.237 4.007 5 20 IIBD Cc1ccc([C@@H]2OCCC[C@H]2Nc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)cc1 509553719 OEBGPAZPQZNVFC-NQIIRXRSSA-N 440.887 4.435 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCc1nc2ccccc2n1C(F)F 511388524 TYHYEZXMLJHLNZ-LLVKDONJSA-N 438.818 4.119 5 20 IIBD O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 511544972 HDWFBXUCPFXTCM-INIZCTEOSA-N 440.397 4.259 5 20 IIBD CCO[C@H](C)c1nc(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cs1 514183681 WQLQRQYBWRRCQM-CYBMUJFWSA-N 444.479 4.490 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@@H]3CCN(c4ccccc4)C3)cc2[N+](=O)[O-])C1 515554384 ADJWIDDNKBQHIU-AQNXPRMDSA-N 436.556 4.333 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCc1cccc(COCc2ccco2)c1 516389897 LZGTXQPUMSAWBH-UHFFFAOYSA-N 437.496 4.349 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cc(Cl)ccc1C(=O)N1CCCC1 520971870 HXHFPFJJGNZDED-UHFFFAOYSA-N 426.860 4.078 5 20 IIBD COc1cccc(CN(C[C@H]2CCCO2)C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 521331000 OXYSTNTUHOLOFT-OXJNMPFZSA-N 430.526 4.292 5 20 IIBD CC(C)(C)c1nc(CN2CCN(C(=O)c3cc4ccccc4c4cccnc34)CC2)no1 524051388 OWMIINKUPBNEHR-UHFFFAOYSA-N 429.524 4.027 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCCCc1nc(-c2ccncc2)cs1 524197649 TXFVZEYBTPCPKE-UHFFFAOYSA-N 446.916 4.285 5 20 IIBD COc1cc(C(=O)N(Cc2ccc(Br)cc2)C(C)C)cc([N+](=O)[O-])c1OC 524645092 DNDYXCQYPGOMNF-UHFFFAOYSA-N 437.290 4.425 5 20 IIBD Cc1c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)nnn1-c1cccc2cccnc12 524681079 SXMUODQPLDACRX-UHFFFAOYSA-N 430.468 4.083 5 20 IIBD CC(C)Cn1ccc2cc(NC(=O)N3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)ccc21 524902297 GOMRVIKYFPEYMX-UHFFFAOYSA-N 449.511 4.195 5 20 IIBD COc1cc(C(=O)N[C@H](C)CCc2ccc(Br)cc2)cc([N+](=O)[O-])c1OC 525021543 VWHZZMJSWAYWRE-GFCCVEGCSA-N 437.290 4.126 5 20 IIBD COc1cc(C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 525537488 RIXHYCPQCXHNSP-PBHICJAKSA-N 447.919 4.461 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCN(Cc4ccsc4)CC3)cc2[N+](=O)[O-])C1 534522471 YTDTZMIVNIFGNF-QZTJIDSGSA-N 442.585 4.097 5 20 IIBD Cc1cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)nn1-c1ccc(Cl)cc1Cl 537449093 IVMNFKDJMUHVPG-UHFFFAOYSA-N 449.250 4.419 5 20 IIBD COc1cc(F)c([C@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC 540392877 CILZPPZXRHWHOD-WDEREUQCSA-N 425.844 4.082 5 20 IIBD Cc1c(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)nnn1-c1ccc2ncccc2c1 541068646 RFTMXXWGCBCAQK-UHFFFAOYSA-N 442.357 4.303 5 20 IIBD C[C@H](O)C[C@@H](C)NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 543098861 ULJXBOKWLLHJRE-URQAUJNWSA-N 425.510 4.411 5 20 IIBD COc1cc(Cc2noc(-c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)n2)ccc1C 545597532 XYGCXWMAPSEPQV-UHFFFAOYSA-N 433.468 4.414 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(Cc3nc(Cc4ccc(Oc5ncccn5)cc4)no3)c2c1 546381163 MLFBUEXARMNYCU-UHFFFAOYSA-N 428.408 4.223 5 20 IIBD O=[N+]([O-])c1ccn(Cc2nc(-c3ccc(Oc4ccccc4C(F)(F)F)nc3)no2)n1 546460652 JXFWCHKMENEDSC-UHFFFAOYSA-N 432.318 4.096 5 20 IIBD CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 550316176 CIGUYUHIQUHQSZ-RDJZCZTQSA-N 436.434 4.290 5 20 IIBD Cn1ccc(CCC(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)n1 551288389 MMFNFCRSHTTXAF-UHFFFAOYSA-N 432.839 4.162 5 20 IIBD O=c1ccc(-c2ccc3c(c2)OCCCO3)nn1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F 558826141 URPJDKMGYFLASR-UHFFFAOYSA-N 447.369 4.047 5 20 IIBD Cc1ccc(Cc2ccccn2)cc1NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 559010899 NDMGYMCTFOMUOY-UHFFFAOYSA-N 444.491 4.019 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(Cc1ccccc1)C1CCN(C)CC1 563932613 UUQWJVPGCNGWBC-MRXNPFEDSA-N 431.920 4.139 5 20 IIBD C[C@@H](CN[C@H](c1ccc([N+](=O)[O-])cc1)c1nccn1C)Oc1cccc(Br)c1 569463550 RBOCJEPUNIPPPA-IFXJQAMLSA-N 445.317 4.237 5 20 IIBD CCOc1cc(Br)c(F)cc1N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 570094824 NSCGCRHKGJACEC-JTQLQIEISA-N 426.242 4.334 5 20 IIBD CCOC(=O)C[C@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(Br)c1 578187855 NBJWNMSGOCQUEA-ACJLOTCBSA-N 449.301 4.272 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)N(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 578800634 QHGJFZRRYZJFAI-VWLOTQADSA-N 444.535 4.226 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]2c2cc3c(cc2OCC)C[C@H](C)O3)c1 579862761 GHVQWHKCYQFUGD-IYJAJMOOSA-N 426.469 4.002 5 20 IIBD O=c1c2ccccc2[nH]c2ccc(-c3nc(CCNc4ccccc4[N+](=O)[O-])no3)cc12 579882473 JQULTWISEARPLH-UHFFFAOYSA-N 427.420 4.294 5 20 IIBD COc1cccc([C@H](C)c2noc([C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)c1 589112713 UVUMOFICQIWKKR-MGPUTAFESA-N 436.468 4.424 5 20 IIBD Cc1ccc(C)c(-c2nn(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)c(=O)c3ccccc23)c1 602282887 OQJYBWGRXHBCPK-LJQANCHMSA-N 445.475 4.028 5 20 IIBD Cc1ccc(Cn2nccc2NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)o1 603820531 MSGMGEXIYOUBPB-HOTGVXAUSA-N 437.500 4.476 5 20 IIBD Cc1cc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])n(-c2cccc(C(F)(F)F)c2)n1 608927654 CFPLFWPMJSZJTL-UHFFFAOYSA-N 440.403 4.217 5 20 IIBD CCc1c(-c2ccncc2)n[nH]c1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 609108913 BGQQIGYZOPLNGV-UHFFFAOYSA-N 445.483 4.056 5 20 IIBD COc1ccc(CCNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1F 609116062 AJAACVFLQAZSEF-HNNXBMFYSA-N 438.459 4.283 5 20 IIBD COc1cc(CCNC(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)c([N+](=O)[O-])cc1OC 609556399 FKQMIAUHYHMFCD-UHFFFAOYSA-N 447.536 4.225 5 20 IIBD CCNc1ccc(C(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)cc1[N+](=O)[O-] 609635385 RYJHYGHPCBODCO-UHFFFAOYSA-N 435.402 4.179 5 20 IIBD CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 610100795 RPAPTBMBVFDPKZ-HSZRJFAPSA-N 444.576 4.130 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2ccc([S@@](C)=O)cc2)cc1 610623156 CTCDUQJWUODDGC-WJOKGBTCSA-N 440.477 4.063 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1c(O)c(Cl)cc(Cl)c1Cl 611304254 YBASIPDCLJETGV-ZETCQYMHSA-N 432.647 4.018 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1n[nH]c(-c2ccc(OC)c(OC)c2)n1 611565658 KYSKFHMBHZWWNB-UHFFFAOYSA-N 443.485 4.152 5 20 IIBD COC(=O)c1ccc(OCc2csc(-c3cccc(OC)c3OC)n2)cc1[N+](=O)[O-] 613108973 AONLYUWLOKDRKT-UHFFFAOYSA-N 430.438 4.101 5 20 IIBD O=C(NCCNc1ncccn1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 613449044 TWLLGNSTDBHEBL-UHFFFAOYSA-N 429.889 4.031 5 20 IIBD O=C(CN1CCC(c2nc(-c3ccccc3)no2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] 728933269 VDDAQLYORCJILV-UHFFFAOYSA-N 441.875 4.116 5 20 IIBD O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1csc(-c2ccc(F)cc2)n1 729192068 GIWPEJVASAPQQZ-UHFFFAOYSA-N 442.472 4.326 5 20 IIBD Cc1ccc2oc(C(=O)N3CCCC[C@@H]3CCOC(=O)c3cccc([N+](=O)[O-])c3)cc2n1 729325084 NTAZYKNGRRWGDE-QGZVFWFLSA-N 437.452 4.286 5 20 IIBD CN(CCc1ccc(Br)cc1)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 730262071 XBPSKCXGCZQBDF-UHFFFAOYSA-N 426.698 4.124 5 20 IIBD O=C1OC(c2c(Cl)cccc2[N+](=O)[O-])=N/C1=C\c1ccc(OCCN2CCCC2)cc1 730957422 CONCVIHWDKSPFO-JXAWBTAJSA-N 441.871 4.067 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC(n2cc(Br)cn2)CC1 731751386 JJZXBDNRQSMASS-UHFFFAOYSA-N 428.674 4.076 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1 732987909 NYHGCWMJCATDIA-CQSZACIVSA-N 447.257 4.161 5 20 IIBD O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccc(Cl)cc1OCC(F)(F)F 733774678 PEMWYFRDGQYLHI-UHFFFAOYSA-N 428.747 4.129 5 20 IIBD Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)c(Cl)c1 735351635 BPSWVJSJUVQDFY-LBPRGKRZSA-N 443.843 4.303 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 735443339 NRDONWRCEPCXJC-GFCCVEGCSA-N 429.410 4.382 5 20 IIBD Cc1c(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 737680698 WTQPDPNPNAHESE-DNVCBOLYSA-N 440.500 4.245 5 20 IIBD CC(C)(C)OC(=O)N1CCC(C(=O)OCc2ccc([N+](=O)[O-])cc2Br)CC1 740579109 CRZWYCBDMJDGMU-UHFFFAOYSA-N 443.294 4.048 5 20 IIBD Cc1ccc(N2CCC[C@@H](OC(=O)c3ccc(Br)c([N+](=O)[O-])c3)C2=O)cc1 741818723 BDKABFQSMBBPRX-QGZVFWFLSA-N 433.258 4.018 5 20 IIBD COC(=O)c1cc(-c2nc(-c3cccc(NC(=O)OC(C)(C)C)c3)no2)cc([N+](=O)[O-])c1 747862857 GDWFDAITHGBGOX-UHFFFAOYSA-N 440.412 4.445 5 20 IIBD O=C1NC[C@H](CSc2nc3cc([N+](=O)[O-])ccc3n2-c2cccc(C(F)(F)F)c2)O1 749213534 WQFQJCUYLYUUGD-CYBMUJFWSA-N 438.387 4.153 5 20 IIBD COc1ccc(-c2nc(COC(=O)c3ccc(Br)cc3[N+](=O)[O-])co2)cc1 750966479 IAIAEBRCBWEHOC-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD CC(C)NC(=O)c1ccc(Cl)c(NC(=O)c2cc([N+](=O)[O-])ccc2Br)c1 751094378 UJKOITBVTZQTBG-UHFFFAOYSA-N 440.681 4.401 5 20 IIBD O=C(NCc1ccc(Oc2ccccc2)nc1)c1cc([N+](=O)[O-])ccc1Br 751127265 ZBRSFAZFNZSAFS-UHFFFAOYSA-N 428.242 4.475 5 20 IIBD CC(C)(NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 752444205 SAJUMZHNBUWYSI-UHFFFAOYSA-N 427.335 4.109 5 20 IIBD C[C@H]1COCCN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C1 754236175 UHXDTVAPJHAWKG-CYBMUJFWSA-N 429.523 4.464 5 20 IIBD C[C@H](C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc([N+](=O)[O-])cc1F 755064543 KWSOIPYIYJCIIK-WDEREUQCSA-N 430.348 4.100 5 20 IIBD C[C@H](OC(=O)CCc1cn(C)c2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 756669055 KBFWNHJUXVKXPO-ZDUSSCGKSA-N 429.860 4.243 5 20 IIBD O=[N+]([O-])c1cc(NS(=O)(=O)c2ccccc2C(F)(F)F)ccc1Br 757921050 NDDVHMKXUCVDCS-UHFFFAOYSA-N 425.182 4.177 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 758803180 WHTQZTSKIFAGOA-OWCLPIDISA-N 437.562 4.227 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)NCCc2cccc([N+](=O)[O-])c2)cc1 758859216 HRCLAVVSXBAXPR-UHFFFAOYSA-N 428.489 4.026 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 759249364 VCFKHWYBBAEKKF-CXAGYDPISA-N 444.456 4.057 5 20 IIBD CCOc1cc(Cc2noc(COc3ccc([N+](=O)[O-])c(F)c3)n2)ccc1OC(F)F 761793346 NFUJQZIPIRXWLH-UHFFFAOYSA-N 439.346 4.287 5 20 IIBD O=C(Nc1ccc(F)cc1)c1ccc(CNC(=O)c2cc(F)c([N+](=O)[O-])cc2F)cc1 763511463 FJCVROAHLGHWHA-UHFFFAOYSA-N 429.354 4.194 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)Nc1ccc(Br)cc1Cl 763716810 KSPZAOWLPBOENE-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 764180285 YOJUMRSWCRFPAT-CQSZACIVSA-N 435.546 4.369 5 20 IIBD C[C@H](C(=O)N(CCNC(=O)OC(C)(C)C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F 766618539 VGIHEDQDFJAWNM-INIZCTEOSA-N 445.491 4.391 5 20 IIBD CC(C)(C)OC(=O)NC[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCCC1 767112822 XGXSYHZWIBTMPS-HNNXBMFYSA-N 445.438 4.427 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)cs1 768851738 ZOZVCCAZCBSGGO-UHFFFAOYSA-N 439.418 4.008 5 20 IIBD O=C(NCc1cccc(NC(=O)c2ccccn2)c1)Nc1ccc([N+](=O)[O-])c(Cl)c1 770007695 RQCKQNXOYZFPSM-UHFFFAOYSA-N 425.832 4.217 5 20 IIBD CN1CC[C@H](CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 778057003 RGTFFDPKWNNYNV-ACJLOTCBSA-N 441.837 4.288 5 20 IIBD COc1ccccc1-c1nc(C(=O)O[C@H]2CCN(c3ccc([N+](=O)[O-])cc3F)C2)cs1 778812671 YGFHSQQLMWLOTD-AWEZNQCLSA-N 443.456 4.302 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N(C)Cc3ncc(Cl)n3C)cc2[N+](=O)[O-])n1 779055051 CSDGILIHWHJINA-UHFFFAOYSA-N 437.934 4.170 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl 780048400 YNQMVIPCKNFREF-HXUWFJFHSA-N 440.887 4.264 5 20 IIBD C[C@H](NC(=S)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc(Cl)cc1Cl 782386971 YVYYFSGEAFITIF-NSHDSACASA-N 428.345 4.371 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)ccc1-n1nnnc1C(C)C 784349482 DUWQVMOWXQNACP-UHFFFAOYSA-N 445.277 4.017 5 20 IIBD CN(Cc1ccccc1)c1ccc(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 785716978 OZZLGFBPYSPDDT-UHFFFAOYSA-N 434.500 4.297 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccnc(Oc2ccc(F)cc2F)c1 791017971 OFZFPHIYKKGZOV-UHFFFAOYSA-N 425.351 4.049 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)CSc3ccccc3[N+](=O)[O-])CC2)CC1 791033100 KDBUGYCURRXEGV-UHFFFAOYSA-N 449.573 4.327 5 20 IIBD Cc1c(Br)cccc1CC(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 791514584 RJYKGAQEZJHCCP-UHFFFAOYSA-N 441.665 4.044 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCOc2c(Br)cccc2C1 792530460 JKNSASDSAGTMIK-UHFFFAOYSA-N 443.656 4.114 5 20 IIBD C[C@H](C(=O)Nc1c(F)cccc1F)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 792895854 DZOMSLRMLGVUQU-SNVBAGLBSA-N 440.244 4.021 5 20 IIBD CSc1ccccc1N(C)S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] 795334832 UAHQWJVOJWUWJA-UHFFFAOYSA-N 435.296 4.043 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)O[C@H](C)C(=O)N(c1nccs1)C1CCCCC1 795717707 LXACLMUEYJLDTL-CQSZACIVSA-N 447.513 4.361 5 20 IIBD COc1ccc(-c2csc(CNC(=O)C(=O)Nc3c(F)ccc([N+](=O)[O-])c3C)c2)cc1 800613595 GIHOQNHKXIKGHN-UHFFFAOYSA-N 443.456 4.034 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 802337355 INMIUVBZCFXBSW-UHFFFAOYSA-N 435.406 4.155 5 20 IIBD CCc1ccc([C@@H](O)CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 804152355 ZQANWXBMWPOKKQ-HJPURHCSSA-N 434.496 4.189 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N(C)Cc2ccc(OCC(F)(F)F)cc2)cc1[N+](=O)[O-] 807665970 OGLAHRXZCJDLFP-UHFFFAOYSA-N 427.335 4.025 5 20 IIBD COc1ccc(NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1OCC(=O)NC1CC1 811469395 YJTHGNDKXAWHID-UHFFFAOYSA-N 440.283 4.180 5 20 IIBD COCC[C@H](NC(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)C(=O)OC 812393332 MFLITDGIMOHDSY-NRFANRHFSA-N 431.488 4.241 5 20 IIBD Cc1cc(S(=O)(=O)N[C@@H](C)c2ccc(C(F)(F)F)nc2Cl)cc([N+](=O)[O-])c1F 815051763 UHPUHFSTOLNXHM-QMMMGPOBSA-N 441.790 4.149 5 20 IIBD Cc1c(C(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)cc([N+](=O)[O-])cc1[N+](=O)[O-] 815193071 QLIDIXWWSIJKBF-UHFFFAOYSA-N 429.263 4.095 5 20 IIBD CC(C)(C)OC(=O)NCC[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 816571474 FUFFZFYHXHLQSY-CYBMUJFWSA-N 445.438 4.381 5 20 IIBD COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 893927502 MUIZHFFNQXWCGF-UHFFFAOYSA-N 443.334 4.108 5 20 IIBD COc1ccc2c(c1)C[C@H](C(=O)Oc1ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc1)CO2 914774730 IEGGBCKPHQFSLC-KRWDZBQOSA-N 448.431 4.012 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2sc(-c3ccc(C)o3)nc2C)c([N+](=O)[O-])c1 915468485 YOHIWYPYDIYURS-GFCCVEGCSA-N 445.453 4.121 5 20 IIBD CCc1cccc(N2C(=S)N[C@@H](c3ccc(C)c([N+](=O)[O-])c3)C(C(=O)N(C)C)=C2C)c1 918059314 RHASHOKARVSOAL-NRFANRHFSA-N 438.553 4.264 5 20 IIBD Cc1ccc(C(C)C)c(O[C@H](C)C(=O)OCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 920149312 XXAHIJRKZCCCOO-OAHLLOKOSA-N 448.903 4.421 5 20 IIBD CCCNC(=O)c1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 920814375 BAMORGXRAHWBEJ-LLVKDONJSA-N 440.283 4.447 5 20 IIBD CC(C)N(Cc1cccc(Br)c1)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 921267570 WLJVODNKKPTFQL-UHFFFAOYSA-N 425.254 4.312 5 20 IIBD C[C@@H](OC1CCCCC1)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 1318546512 OHWNKQOPVIJZIG-CQSZACIVSA-N 429.439 4.000 5 20 IIBD O=C(Cc1csc(COc2ccc(Cl)cc2)n1)N1Cc2ccc([N+](=O)[O-])cc2C1 1339546314 UDAUXMXKVBTMBB-UHFFFAOYSA-N 429.885 4.369 5 20 IIBD COc1cccc(COC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n1 1516696895 NHRINFKWHJPFFQ-UHFFFAOYSA-N 444.447 4.137 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)C(F)(F)Cl)CCC2)cc1 1785795718 YSDAVXMOWVYURS-UHFFFAOYSA-N 437.830 4.103 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)NC1(c2ccc(NC(=O)c3ccns3)cc2)CCC1 1787202131 SSABJBATOFAKJY-SOFGYWHQSA-N 438.465 4.105 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@H]3C[C@]3(F)Cl)CCC2)cc1)c1ccc([N+](=O)[O-])cc1F 1790624135 BTLJNGMPGWMZCP-IIBYNOLFSA-N 449.841 4.406 5 20 IIBD O=C(CC(F)(F)F)NC1(c2ccc(NC(=O)c3cccc(F)c3[N+](=O)[O-])cc2)CCC1 1790698693 KXTDCYKYQAOILK-UHFFFAOYSA-N 439.365 4.434 5 20 IIBD C[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1)c1ccccc1 1823616355 SDNMHXBABLKALD-FXAWDEMLSA-N 439.512 4.225 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)c([N+](=O)[O-])cc1OC 9487738 WOBGFELVQWGCJL-CQSZACIVSA-N 430.457 4.228 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1ccc(Br)cc1 10666189 HBZCYNMPSULQTJ-SECBINFHSA-N 427.638 4.195 5 20 IIBD COc1ccc(C(=O)C2CCN([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cc1 14326930 NLOVUCVPMOZVMS-HNNXBMFYSA-N 436.468 4.309 5 20 IIBD COC(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CC1 15924935 RXOWPKHZGCOHEA-UHFFFAOYSA-N 434.901 4.425 5 20 IIBD COc1ccc(CNc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)s2)cc1 16324143 CCHDMYDJGBKRQO-UHFFFAOYSA-N 445.526 4.106 5 20 IIBD O=C(OCc1nc(-c2cccc(Cl)c2)no1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 17727230 RZAMIPBFXJGOCQ-UHFFFAOYSA-N 442.859 4.258 5 20 IIBD COc1ccc(OC)c([C@H](C)NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)c1 18275325 KSKGVUDCSGFBSA-NSHDSACASA-N 433.511 4.191 5 20 IIBD CCOc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc3ccccc3c2)c([N+](=O)[O-])cc1OC 19473583 GQEYUFYYZKRCTI-AWEZNQCLSA-N 438.436 4.339 5 20 IIBD Cn1cnnc1C1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 24691013 RQPAOKLLLOCOSB-UHFFFAOYSA-N 441.875 4.189 5 20 IIBD O=C(COC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)Nc1ccccc1[N+](=O)[O-] 25129612 BFXMJIIKAAAGLZ-VMPITWQZSA-N 428.750 4.462 5 20 IIBD COc1ccc(NC(=O)CCSc2nnc(NC3CCCCC3)s2)c([N+](=O)[O-])c1 26367157 UVGADQSHSCEBOQ-UHFFFAOYSA-N 437.547 4.320 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N(CCC(N)=O)c3ccccc3)cc2[N+](=O)[O-])n1 57767729 XHOCIWRBMNCBAL-UHFFFAOYSA-N 442.522 4.033 5 20 IIBD Cn1cc(CCNC(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)cn1 58409445 SDNIVDBILYMJTJ-PDGQHHTCSA-N 447.520 4.228 5 20 IIBD Cc1ccc([C@H](NC(=O)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)c2cccs2)cc1 116705398 GSZONDKRTSTBLO-NRFANRHFSA-N 433.493 4.129 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 195535119 XNCMOVUKGCNHHC-MRXNPFEDSA-N 438.267 4.154 5 20 IIBD O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1ccc([N+](=O)[O-])cc1Br 195581866 ZIMYAPZRHRQZFC-UHFFFAOYSA-N 443.179 4.365 5 20 IIBD COc1cc(CNCc2ccnc(-n3cccn3)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 237290114 XGVZEHZFHRRTJL-UHFFFAOYSA-N 445.479 4.053 5 20 IIBD CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1F 409899870 FQFGBGJIRDGIIM-GFCCVEGCSA-N 426.491 4.037 5 20 IIBD COc1cc(C(=O)N[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)c([N+](=O)[O-])cc1OC 410041051 KSGRGNBBJQOVKT-DEOSSOPVSA-N 448.475 4.456 5 20 IIBD CCOc1cc(C(=O)N2CCC(F)(c3cccc(OC)c3)CC2)c([N+](=O)[O-])cc1OC 410238501 BVFNLMWGHMSVDO-UHFFFAOYSA-N 432.448 4.112 5 20 IIBD COc1cc(OCC(=O)N2CCC(c3ccc(Br)cc3)CC2)ccc1[N+](=O)[O-] 410408454 SQPPILBTFSSMCR-UHFFFAOYSA-N 449.301 4.151 5 20 IIBD CC[C@]1(CO)CCCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 426467826 DAIDPHPBJCDYDD-UNMCSNQZSA-N 431.920 4.413 5 20 IIBD Cc1ccc(C)c([C@H](C)N(C)C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1 430310517 BRUDZAZGQCFGRZ-AWEZNQCLSA-N 448.317 4.441 5 20 IIBD CCN([C@H](c1ccc(Cl)cc1)c1cccnc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 431924050 IZEIWQCHBBATGA-HXUWFJFHSA-N 431.901 4.443 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCc2csc(CCc3ccccc3)n2)cc1OC 434564709 IQYMWHKQPOKQQS-UHFFFAOYSA-N 441.509 4.174 5 20 IIBD CC(C)c1[nH]nc(C(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)c1[N+](=O)[O-] 435961710 COJOACCTCJXGRM-ZDUSSCGKSA-N 425.258 4.320 5 20 IIBD O=C(Nc1cc2c(cc1Br)CCC2)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 443855565 FWQCHMDRBMMKON-UHFFFAOYSA-N 427.258 4.284 5 20 IIBD C[C@@H](NC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1cc(F)c(Cl)cc1Cl 444888650 QGJHDLYLFOCFOI-MRVPVSSYSA-N 426.235 4.477 5 20 IIBD O=C(Cc1noc(-c2c[nH]c3cc([N+](=O)[O-])ccc23)n1)Nc1ccccc1Br 445478140 BMFDCUZDXXQKKB-UHFFFAOYSA-N 442.229 4.070 5 20 IIBD CCCOc1cc(NC(=O)C(=O)Nc2ccc(C)c(C)c2)c([N+](=O)[O-])cc1OCCC 446297703 OLZYMYBPUOQXPJ-UHFFFAOYSA-N 429.473 4.366 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)c2nc[nH]n2)cc1[N+](=O)[O-] 446681404 JRNAFMUQXZYKCU-SJCJKPOMSA-N 448.405 4.190 5 20 IIBD O=C(NCc1cccnc1Oc1cccc(F)c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 460173390 MPGLTBQZVBRRHN-UHFFFAOYSA-N 438.415 4.025 5 20 IIBD CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 460354928 VDLUCDFKBHHRIZ-JOCHJYFZSA-N 441.553 4.286 5 20 IIBD Cc1ccccc1-c1nnc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1C[C@H]1CCOC1 461552602 SLSWOYWXGSWJDK-GOSISDBHSA-N 433.512 4.367 5 20 IIBD O=C(c1cc(C(=O)N2CCC[C@@H]2C2CCC2)cc([N+](=O)[O-])c1)N1CCC[C@H]1C1CCC1 461654452 CMFLADBGORBYCC-SZPZYZBQSA-N 425.529 4.404 5 20 IIBD COc1ccc([C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C2CC2)cc1 462451310 LWYPWAXFKDOWFE-INIZCTEOSA-N 431.297 4.340 5 20 IIBD COc1ccccc1-c1ccc([C@@H](C)NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 462495585 POTWOZNGDCHLEL-OAHLLOKOSA-N 442.493 4.319 5 20 IIBD Cc1cc(=NC(=O)c2sc(NC(=O)C(C)(C)C)cc2C)c2cc([N+](=O)[O-])ccc2[nH]1 462565348 JSYCMCSDZVOKDE-UHFFFAOYSA-N 426.498 4.480 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 462692938 PMIXYAAZURVUKS-XJKSGUPXSA-N 431.297 4.100 5 20 IIBD COc1ccccc1-n1ncc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)c1C 462848070 LRQTXEPNUQZBGV-UHFFFAOYSA-N 449.492 4.498 5 20 IIBD COc1ccc(Br)c(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 463141773 ZRCLIBURTBWXGP-UHFFFAOYSA-N 433.180 4.315 5 20 IIBD COc1ccc(CSCC(=O)N2CCN(CC3CC3)c3ccccc32)cc1[N+](=O)[O-] 465363577 JJTIVNSCVPBWQD-UHFFFAOYSA-N 427.526 4.100 5 20 IIBD CC(C)n1c([C@H]2CCCN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])C2)nc2ccccc21 472592727 OPZCLEPMJMVJPN-KRWDZBQOSA-N 442.541 4.235 5 20 IIBD CCCOc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 472619457 BZUMSOOYPQQUDV-LJQANCHMSA-N 431.464 4.365 5 20 IIBD COc1ccc(CNC(=O)C(=O)Nc2ccc(CCCc3ccccc3)cc2)cc1[N+](=O)[O-] 473237684 IPVBWZNXBAPJQK-UHFFFAOYSA-N 447.491 4.034 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCC(=O)Nc1ccc(Br)cc1 475556739 SEUHGUCIRBKDBO-UHFFFAOYSA-N 435.278 4.124 5 20 IIBD Cc1cccc(CC2(O)CCN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CC2)c1 477691707 KEQVXJBZKQSXFF-UHFFFAOYSA-N 426.516 4.200 5 20 IIBD COc1cc(C(=O)Nc2ccnn2Cc2ccc(C(F)(F)F)cc2)cc([N+](=O)[O-])c1C 477875194 INHUNAAFVAWYFD-UHFFFAOYSA-N 434.374 4.428 5 20 IIBD Cc1c(COC(C)(C)C)cccc1NC(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 477946541 YWOHQDPVFRTVOQ-UHFFFAOYSA-N 447.919 4.169 5 20 IIBD CC(C)[C@H](CC(=O)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1)c1ccccc1 478095136 ZYIMQFFKGJEGRL-FQEVSTJZSA-N 435.528 4.340 5 20 IIBD CC(C)(C)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c1O 479550832 CYMQQVCWCOVMTF-UHFFFAOYSA-N 429.292 4.161 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccccc1C(=O)N1CCCCC1 481588586 XYVDFSKRCVXLHP-UHFFFAOYSA-N 430.892 4.239 5 20 IIBD CSc1cccc(C(=O)N(CC(=O)OC(C)(C)C)c2ccc3c(c2)OCO3)c1[N+](=O)[O-] 486432377 SWVDSCFOKUKFMR-UHFFFAOYSA-N 446.481 4.034 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(Br)c(F)c1 486563580 RWVCLSMSXLCMBW-UHFFFAOYSA-N 443.294 4.165 5 20 IIBD O=C(COc1cccc(Br)c1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 486735448 VXAHKXJTVVXJKY-UHFFFAOYSA-N 433.180 4.071 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)c(C)c([N+](=O)[O-])c1 486855068 FRKNWFRPFPMOSN-GOSISDBHSA-N 425.445 4.085 5 20 IIBD COC(=O)c1cc(NC(=O)NCCc2nc3cc(Cl)ccc3s2)c(C)c([N+](=O)[O-])c1 486868052 LOMLGNXZBZXOLZ-UHFFFAOYSA-N 448.888 4.317 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 494420871 WODSDRSQNROPHH-QZTJIDSGSA-N 441.381 4.472 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(CS(=O)(=O)C(C)(C)C)cc1 497786957 POVYHAMYFKEJID-AWEZNQCLSA-N 436.555 4.427 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cccc(COc2ccc(F)cc2)c1)c1cccc([N+](=O)[O-])c1 498111447 IOVPQZZBSXKQCW-HNNXBMFYSA-N 437.427 4.129 5 20 IIBD CC(C)(C(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1)c1ccccc1[N+](=O)[O-] 498179355 XQLRKGBQTLLQMW-QGZVFWFLSA-N 425.533 4.444 5 20 IIBD COc1ccc(-c2nc(CN3CCN(c4ccccc4[N+](=O)[O-])CC3)cs2)c(OC)c1 499009314 WSBCQKXBOOLARA-UHFFFAOYSA-N 440.525 4.058 5 20 IIBD O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@@H](c2cccc(Br)c2)C1 500272682 ZSSBVFCAXAAZMZ-MRXNPFEDSA-N 425.666 4.224 5 20 IIBD COc1ccccc1C(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 500707510 DJLOBIICTPCGBY-UHFFFAOYSA-N 437.521 4.290 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[C@H](Oc2ccccc2Cl)C1 502339440 JAFWBUCOQVQBPB-KRWDZBQOSA-N 429.904 4.145 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCc2cnc(C)s2)cc1[N+](=O)[O-] 502738511 ILHIJMBBWWKNFE-UHFFFAOYSA-N 427.507 4.243 5 20 IIBD CN1CCC[C@]2(CCN(C(=O)c3ccc(NCc4ccccc4Cl)c([N+](=O)[O-])c3)C2)C1 505513054 FDHWQUIKRANJRV-QHCPKHFHSA-N 442.947 4.418 5 20 IIBD O=C(CN(CCc1cccc(F)c1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Br 506493846 JYYBERUKDFZIAG-UHFFFAOYSA-N 436.281 4.142 5 20 IIBD Cc1c(Br)cc(-c2nc(CC(=O)Nc3ccc(F)cc3)no2)cc1[N+](=O)[O-] 512293655 GOYXGORUHYLDIW-UHFFFAOYSA-N 435.209 4.036 5 20 IIBD CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)s1 513045435 DYBWDUCFFRBKMG-QWHCGFSZSA-N 445.570 4.490 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 515796692 IRFRNVCYXOQFSE-SFHVURJKSA-N 435.383 4.240 5 20 IIBD CCN1CCN(C(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)CC1 516371267 AHFZRCQANQHWCG-SDXDJHTJSA-N 436.537 4.299 5 20 IIBD O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCO[C@H](c2ccc(Br)cc2)C1 516758071 PHAGQEUAKZSOFG-IBGZPJMESA-N 446.301 4.145 5 20 IIBD O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N(CCN1CCCC1)Cc1ccc(Cl)cc1 517683201 VKWYUYBPMLGGJO-UHFFFAOYSA-N 426.904 4.468 5 20 IIBD Cc1ccc(-n2nc(C)cc2NC(=O)Cc2noc([C@H](C)c3cccc([N+](=O)[O-])c3)n2)cc1 519735945 GQCVOJDFDDDXBW-MRXNPFEDSA-N 446.467 4.113 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCn2cccc2[C@H]1c1ccccc1 520473113 CZCSQLGQEXRKFY-QVKFZJNVSA-N 425.872 4.449 5 20 IIBD COc1ccccc1CC(=O)N1CCC(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 520956995 WHAZIQNHXLXLAA-UHFFFAOYSA-N 449.507 4.187 5 20 IIBD O=C(Nc1cccc(OCc2ccc(F)cc2)c1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 520972516 YCHHJZNLNAOAEJ-UHFFFAOYSA-N 433.399 4.146 5 20 IIBD Cc1cc(=O)c(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)nn1-c1ccccc1F 521074288 AAGATTJPCHJESX-UHFFFAOYSA-N 436.443 4.178 5 20 IIBD COCCN([C@@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 521772273 ONBPQOFYJTWUPM-ZDUSSCGKSA-N 432.420 4.012 5 20 IIBD CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCc1cccc(NC(=O)c2ccncc2)c1 522901028 PJSKUBBNKYXHPY-UHFFFAOYSA-N 438.415 4.170 5 20 IIBD O=C(NCc1ccncc1)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 524107630 RDOVWRRMIHOSPP-UHFFFAOYSA-N 425.832 4.217 5 20 IIBD CS(=O)(=O)c1ccc(NCc2ccc(OCc3cccc(F)c3)cc2)c([N+](=O)[O-])c1 524266071 RGMXZTNDMWLGQN-UHFFFAOYSA-N 430.457 4.329 5 20 IIBD COc1cc(N(C)C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc(OC)c1OC 525591742 WENNFGIMHYMYAQ-UHFFFAOYSA-N 443.500 4.134 5 20 IIBD CC[S@](=O)[C@H]1CCC[C@H](NCc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 531172072 GOAAERRNWYXOHN-UKMWPXLWSA-N 446.569 4.352 5 20 IIBD CN(C)Cc1ccc(C(N)=O)cc1NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 532748018 GFSYQNSZMAKOCO-UHFFFAOYSA-N 438.459 4.299 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 535025967 GCGSMPRJCNPQAE-OAQYLSRUSA-N 448.504 4.369 5 20 IIBD O=C(c1ccc(F)cc1F)N1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 536682849 OENRPHWRBHZJEF-UHFFFAOYSA-N 427.407 4.091 5 20 IIBD CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c(C(F)(F)F)c1 537063066 MUYBAPWQNFHMNP-GFCCVEGCSA-N 439.390 4.217 5 20 IIBD O=C(Nc1nc(-c2c(F)cccc2F)cs1)c1cccc([N+](=O)[O-])c1N1CCOCC1 537343944 BZSBSFLMBYFFFC-UHFFFAOYSA-N 446.435 4.085 5 20 IIBD CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 544487120 RCZFGWBTKTUHMJ-SIKLNZKXSA-N 427.476 4.326 5 20 IIBD CC[C@@H]1CN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])CCN1Cc1ccccc1 544768548 KIZAYBCWCVOWRP-QGZVFWFLSA-N 429.542 4.062 5 20 IIBD Cc1c(Cc2noc(Cc3csc(NC(=O)c4cccs4)n3)n2)cccc1[N+](=O)[O-] 545075169 DJTMSAUVNCZPSZ-UHFFFAOYSA-N 441.494 4.238 5 20 IIBD CCN(CCC1CC1)C(=O)c1ccccc1NS(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 545502999 NNVJZEDLJPWJGF-UHFFFAOYSA-N 445.541 4.275 5 20 IIBD Cc1cc(C)n(-c2ccc(-c3noc(Cn4cc([N+](=O)[O-])nc4C)n3)c(C(F)(F)F)c2)n1 546374436 DYZSWXMIWCVNCP-UHFFFAOYSA-N 447.377 4.019 5 20 IIBD C[C@@](O)(C1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1)C(F)(F)F 546635665 UQEOELMOMMHCDE-LJQANCHMSA-N 425.407 4.099 5 20 IIBD CC[C@H]1CN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C[C@H]1O 551467916 UQUSEXAXXFAJEY-BLLLJJGKSA-N 429.523 4.199 5 20 IIBD Cn1ccnc1[C@@H](NCC1(c2cccc(Cl)c2)CCOCC1)c1ccc([N+](=O)[O-])cc1 552048460 SZTULJISVJIYQJ-NRFANRHFSA-N 440.931 4.409 5 20 IIBD CC(C)n1ncc2c(C(=O)O)cc(/C=C\c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)nc21 554390543 UNGUGRCCHHDSEM-DAXSKMNVSA-N 432.440 4.190 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccc(OCc2cn3ccccc3n2)cc1 557363730 VSKRZTUUAMNELX-UHFFFAOYSA-N 430.464 4.136 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 563782413 VAOOILFWSFUUGY-DUXKGJEZSA-N 433.512 4.160 5 20 IIBD CC(C)[C@H](NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(Cl)cc1F 566758956 RFKNMIUJEZFJEX-FQEVSTJZSA-N 447.894 4.392 5 20 IIBD CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 572891171 UZFRJCWWIGRIPE-KRWDZBQOSA-N 433.468 4.157 5 20 IIBD O=c1c2cnn(-c3cccc(Cl)c3)c2ncn1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F 574663554 YGACRWMPEWIKNV-UHFFFAOYSA-N 449.776 4.211 5 20 IIBD O=C(NCc1ccccc1Cn1ccnc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 577550811 REAGSMBLURODPS-UHFFFAOYSA-N 444.441 4.134 5 20 IIBD CSCc1ccc(CNCc2cc(I)cc([N+](=O)[O-])c2)cc1 582934263 HFGCNWNAXQCENZ-UHFFFAOYSA-N 428.295 4.352 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1[N+](=O)[O-] 585758776 ZOQDPGYZFLPNTM-JSGCOSHPSA-N 429.439 4.316 5 20 IIBD Cn1c(SCc2nc(-c3ccc4c(c3)OCO4)no2)nc2cc3ccccc3cc2c1=O 588350664 PJVAOSFGUXBOJL-UHFFFAOYSA-N 444.472 4.158 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(CNc2cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)ccc2C)c1 589505309 GYSOEQNZSAXPRK-HZPDHXFCSA-N 439.512 4.420 5 20 IIBD COc1ccc(Cn2nccc2NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 603621561 LVHPLWSKXPQLFM-UHFFFAOYSA-N 449.511 4.337 5 20 IIBD CC(C)OCCCn1c(SCCc2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O 603722139 KUOMFARHONRAQJ-UHFFFAOYSA-N 427.526 4.455 5 20 IIBD Cc1cc(Cc2cnc(NC(=O)c3cc([N+](=O)[O-])cn3C)s2)ccc1Br 603762602 VYXGZNZHCBUOFR-UHFFFAOYSA-N 435.303 4.304 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)COc1ccccc1OCC(F)(F)F 609011684 ANESCFMMIDFBOP-UHFFFAOYSA-N 426.391 4.352 5 20 IIBD COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(OCC(F)(F)F)c1 609067380 XREGJEVCFXNCQO-UHFFFAOYSA-N 432.738 4.228 5 20 IIBD CCOc1cccc2cc([C@H](C)N[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)oc12 610250240 REWATHQLEGGOJK-UONOGXRCSA-N 427.457 4.426 5 20 IIBD CCN1CCN(Cc2ccc(NCc3csc(-c4cccc([N+](=O)[O-])c4)n3)cc2)CC1 610909669 BTLCMSRNOJBOOT-UHFFFAOYSA-N 437.569 4.468 5 20 IIBD COC1(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CCOCC1 610962960 JBXZYXMUPZATCI-UHFFFAOYSA-N 436.917 4.325 5 20 IIBD CCCC(=O)NC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 612458845 RWELXWNTPSSTCS-UHFFFAOYSA-N 433.574 4.398 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 725800939 UZVOEMJNDCRRFO-UHFFFAOYSA-N 446.548 4.096 5 20 IIBD COc1ccc([C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1Br 725819448 NTWPMBJDOBZHQT-SECBINFHSA-N 449.710 4.059 5 20 IIBD O=C(COC(=O)c1ccccc1OCC1CC1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 725964662 STVVGLNSCZGXQU-UHFFFAOYSA-N 438.358 4.198 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)c2n[nH]cc2c1 726526785 QLJFWLFKDODEKK-GOSISDBHSA-N 436.468 4.021 5 20 IIBD C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 728687651 KJAFNCSOGBLMIH-JKSUJKDBSA-N 449.463 4.323 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Oc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1 729109173 MSBLNXQIDWCZBZ-IBGZPJMESA-N 434.408 4.057 5 20 IIBD O=C(NC[C@@H](O)c1ccc2ccccc2c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 731828781 CYSJRJSLLMIXRQ-LJQANCHMSA-N 434.370 4.153 5 20 IIBD CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H](c1cccnc1)c1ccc(F)c(F)c1 732962925 FZVPFOYZCDXOBS-FQEVSTJZSA-N 442.378 4.428 5 20 IIBD CC(C)(C)Sc1ccc(NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 741066765 ZJLXQKMHCXZOKF-UHFFFAOYSA-N 442.541 4.475 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)CN2CCc3ccccc32)c2ccccc2)c([N+](=O)[O-])c1 741331503 GMTRUKDUKDHCGO-XMMPIXPASA-N 445.475 4.189 5 20 IIBD O=[N+]([O-])c1cn(CN(Cc2cccc(Br)c2)C2CC2)nc1-c1ccncc1 742145438 UJLDSQHUFFESJJ-UHFFFAOYSA-N 428.290 4.238 5 20 IIBD COc1cc(C(=O)Oc2ccc(N(C)C(=O)OC(C)(C)C)cc2)c([N+](=O)[O-])cc1OC 742766084 XAYIXIIFEVMITQ-UHFFFAOYSA-N 432.429 4.203 5 20 IIBD O=C(Nc1ccc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cc1)OCC(F)(F)F 743325299 JZLXTWBNBDFOBK-UHFFFAOYSA-N 449.345 4.348 5 20 IIBD Cc1ccc(F)c(NC(=S)/C(=C(/O)c2cccc([N+](=O)[O-])c2)[n+]2cccc(O)c2)c1 744115198 GRRPVSGNYLPCIB-UHFFFAOYSA-O 426.449 4.359 5 20 IIBD C[C@H](OC(=O)c1ccc(F)c(Br)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 745575326 VWVRQTKNOZMQGW-QMMMGPOBSA-N 445.628 4.334 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2cc(Cl)ccc2[N+](=O)[O-])cc1 746653111 BKCHNHGBNVIEIV-CQSZACIVSA-N 425.938 4.130 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1F)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 746972404 MXUDMCACXOIUIV-ZDUSSCGKSA-N 427.215 4.137 5 20 IIBD CCc1ccc(C(=O)OCc2csc(CC(=O)Nc3ccc(C)cc3)n2)cc1[N+](=O)[O-] 747010629 KMNBLDNPDSWKTI-UHFFFAOYSA-N 439.493 4.460 5 20 IIBD COC(=O)c1ccc([C@H](OC(=O)CSc2ccc([N+](=O)[O-])cc2)C(F)(F)F)cc1 747214981 OFLQEISGPKKZHY-INIZCTEOSA-N 429.372 4.320 5 20 IIBD C[C@]1(CNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCC[C@H]1O 748584106 DERQYIBJMQOKPE-DENIHFKCSA-N 445.903 4.172 5 20 IIBD COCCOc1ccc(Cl)cc1C(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 748801243 IFJUZDQQGAXTSY-UHFFFAOYSA-N 432.816 4.285 5 20 IIBD COc1ccc(CNC(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)cc1[N+](=O)[O-] 748998709 MMVGJFFRCWSCRG-UHFFFAOYSA-N 436.921 4.132 5 20 IIBD O=C(NC[C@H]1CCCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1)Nc1cccc(F)c1 749961018 XPVIPRYRRPPUPG-CYBMUJFWSA-N 434.855 4.061 5 20 IIBD C[C@H](C(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1cnn(C)c1 750559410 DUSYJSSMIOFQCP-DJJJIMSYSA-N 442.859 4.008 5 20 IIBD CC(C)(C)OC(=O)C1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)CC1 750880875 YHSZCDRNSGLVDG-UHFFFAOYSA-N 447.713 4.205 5 20 IIBD CN(C(=O)COC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2)c1ccc([N+](=O)[O-])cc1 751711067 TURRQXDBUUKSQG-LWYUSKRHSA-N 440.418 4.250 5 20 IIBD CCCc1c(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cnn1C1CCCC1 751843638 CCIADTDRPAPIEQ-CQSZACIVSA-N 444.488 4.052 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N[C@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] 752923010 ASCCXUJSTWBTJK-LZLYRXPVSA-N 434.537 4.299 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCc1noc(-c2cccc(Cl)c2)n1 756391045 KOWWBBOSBOZARM-JTQLQIEISA-N 438.223 4.462 5 20 IIBD C[C@@H](OC(=O)c1ccn(-c2ccc(Cl)cc2)n1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 757868559 VDVHRIAVKZPFQQ-LLVKDONJSA-N 449.250 4.271 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)O[C@H]1CCCN(c2ccccc2Cl)C1=O 758739815 OLFMCNBIOAWSHG-IBGZPJMESA-N 427.844 4.011 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)OCCCSc2ccccc2)cc1[N+](=O)[O-] 759853667 ROXKHQACHQXPFL-UHFFFAOYSA-N 430.511 4.214 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760462598 BKUKQBPVYLEJCO-LBPRGKRZSA-N 429.410 4.382 5 20 IIBD CC(C)c1cccc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1 762055529 HQZWWFWBHDXHRQ-CYBMUJFWSA-N 440.481 4.421 5 20 IIBD CCN(Cc1cccc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c1)C(=O)C(F)(F)F 762978621 WNGMRKSWAWSQPL-UHFFFAOYSA-N 434.374 4.239 5 20 IIBD COC(=O)c1ccc(OC(=O)c2ccccc2SCc2cc(C)no2)cc1[N+](=O)[O-] 763704640 GOQWHMSPTIBYDT-UHFFFAOYSA-N 428.422 4.189 5 20 IIBD O=C(Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c(Cl)c1 764304974 YJOLARWBWKZZGV-KRWDZBQOSA-N 425.876 4.144 5 20 IIBD Cc1cc(=O)c(C(=O)N2CCCc3cc(C(C)(C)C)ccc32)nn1-c1ccccc1[N+](=O)[O-] 766039397 WJBAJBYUUXZBPW-UHFFFAOYSA-N 446.507 4.340 5 20 IIBD Cc1sc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2-c2cccs2)cc1[N+](=O)[O-] 767671840 OQRFISWPZQMQEX-UHFFFAOYSA-N 426.453 4.369 5 20 IIBD CC(=O)[C@H](Cc1c(F)cccc1F)OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 768650888 YWBRFVGKQHIEKW-SFHVURJKSA-N 432.404 4.354 5 20 IIBD Cc1nc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)sc1Cc1ccccc1Cl 768849650 OOWIVGWMCNKOAD-UHFFFAOYSA-N 429.932 4.466 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cccc(CS(=O)(=O)c3ccccc3)c1)CC2 773989518 UZKOOGIITIPEEO-UHFFFAOYSA-N 436.489 4.080 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C(=O)N2CCCC2)cc1 775480805 NPDHKDBYZNEQBR-UHFFFAOYSA-N 427.526 4.261 5 20 IIBD CCOc1ccc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C(F)(F)F)c1 781632000 UVLUGJYDUSKDSM-UHFFFAOYSA-N 427.335 4.492 5 20 IIBD O=C(Nc1ccc(N2CCCCCCC2)c(F)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 782505396 ZHVARFBZMWXKOV-UHFFFAOYSA-N 438.463 4.337 5 20 IIBD COc1ccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1Cc1ccccc1 782971418 DQRAZTSJTGQLOZ-UHFFFAOYSA-N 439.855 4.425 5 20 IIBD COC(=O)c1scc(C)c1S(=O)(=O)Oc1ccc(Cc2ccccc2)cc1[N+](=O)[O-] 785498975 CVCTZGXAAZLAME-UHFFFAOYSA-N 447.490 4.110 5 20 IIBD O=[N+]([O-])c1ccc2nc(Sc3ccc(CNCCCCO)cc3[N+](=O)[O-])sc2c1 785532162 XXKVIIDHTYQTTG-UHFFFAOYSA-N 434.499 4.126 5 20 IIBD O=C(OCc1ccccc1)[C@H](CNc1cc2ncnc(O)c2cc1[N+](=O)[O-])c1ccccc1 786822727 DTGYOAJXMJGZKR-LJQANCHMSA-N 444.447 4.183 5 20 IIBD O=C(O[C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1)c1csc(Nc2ccccn2)n1 787031429 OAJIKTXLYHRSNY-AWEZNQCLSA-N 443.460 4.155 5 20 IIBD CC(C)(C)OC(=O)NCc1cccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 787187778 XEHSUMJZXPJVND-UHFFFAOYSA-N 425.485 4.424 5 20 IIBD CCOc1cc(NC(=O)N[C@H](C(C)C)[C@@H](O)c2ccccc2)c([N+](=O)[O-])cc1OCC 788558177 SKMZJRBCOATHDE-RTWAWAEBSA-N 431.489 4.272 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(Cl)c3cccnc23)c(C)c1[N+](=O)[O-] 790384635 PIOGLTBHTZEUBU-UHFFFAOYSA-N 436.833 4.122 5 20 IIBD O=C(NC[C@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1)OCc1ccccc1 794034015 QKOFZXFKKRCZPD-QGZVFWFLSA-N 437.452 4.120 5 20 IIBD Cc1cccc(CN(Cc2ccccn2)S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c1 795828265 CMUFAHFTZUFOCK-UHFFFAOYSA-N 449.891 4.482 5 20 IIBD O=C(COC(=O)c1ccc2nc(-c3ccccc3)oc2c1)Nc1ccc(F)c([N+](=O)[O-])c1 796043381 MMCDJXNRRZYETB-UHFFFAOYSA-N 435.367 4.338 5 20 IIBD C[C@@H](N[C@H]1CCc2ccccc2OC1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 801570713 IFWRTZAAEAYZET-PBHICJAKSA-N 438.509 4.029 5 20 IIBD CC(C)([C@H](OC(=O)c1ccc2oc(O)nc2c1)c1ccc(Br)cc1)[N+](=O)[O-] 805915698 KKSDGLWEFRCOPF-OAHLLOKOSA-N 435.230 4.249 5 20 IIBD Cc1cc(N2CCCCCC2)ccc1NC(=O)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 806937391 OGFGTYGYQFMGPY-UHFFFAOYSA-N 444.919 4.192 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1 810948759 JNOZCXNIHNPCMA-MRXNPFEDSA-N 449.573 4.426 5 20 IIBD C[C@H](OC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(=O)NC[C@@H](C)c1ccccc1 811375372 YFJOTTFYBRKLTQ-NEPJUHHUSA-N 425.268 4.367 5 20 IIBD COc1cc(OC)cc(N2CC[C@@H](NCc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)c1 811484313 YSYSMSHYVNGKDH-CQSZACIVSA-N 426.300 4.287 5 20 IIBD CC(C)NC(=O)c1ccc(N[C@H](C)c2ccc(N3CCCOC3=O)cc2)c([N+](=O)[O-])c1 814263883 SFHAEELZRWDJOH-OAHLLOKOSA-N 426.473 4.253 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N[C@H](C)c2ccc(N3CCCOC3=O)cc2)cc1[N+](=O)[O-] 814308519 LWNVNBGMQMERPV-CVEARBPZSA-N 426.473 4.371 5 20 IIBD Cc1cc(Cl)c(C(=O)OCC(=O)N[C@@H](c2ccccc2)c2nccs2)cc1[N+](=O)[O-] 815404625 QRZQAAFRHMKEAT-SFHVURJKSA-N 445.884 4.076 5 20 IIBD CCOc1ccc(N2C(=O)/C(=C\NNc3ccc([N+](=O)[O-])cc3)c3ccccc3C2=O)cc1 912741897 NLWOTQUNLACJOR-JCMHNJIXSA-N 444.447 4.138 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)cc1[N+](=O)[O-] 915294821 PFCVHCHNYHMVFG-HNNXBMFYSA-N 436.424 4.276 5 20 IIBD Cc1c(C(=O)Nc2ccccc2-n2cc(Br)cn2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 915870145 LXBCCLBWHFQQGV-UHFFFAOYSA-N 446.217 4.012 5 20 IIBD CC[C@@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1OC(F)F 916495346 LXTLKUFUOJHTTH-GOSISDBHSA-N 434.443 4.179 5 20 IIBD Cn1ccnc1COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 917689153 IEQQUWLQXMBOMP-UHFFFAOYSA-N 435.484 4.150 5 20 IIBD CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)OCc1nc2ccccc2c2ccccc12 919362545 ZRLLFIIMFHIEGM-JOCHJYFZSA-N 426.538 4.026 5 20 IIBD O=C(NCCOC(=O)C1(c2cccc(F)c2)CCCC1)c1ccc([N+](=O)[O-])cc1Cl 920148726 QSFMDFMSNFFOHY-UHFFFAOYSA-N 434.851 4.172 5 20 IIBD CSc1cc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccn1 920567062 SEQIFQGNCMTXBV-NSHDSACASA-N 444.494 4.019 5 20 IIBD Cc1c(Cl)ccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1N 920582853 SBOGWGJDKAHXDV-SECBINFHSA-N 445.781 4.342 5 20 IIBD CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1F 1116864201 CAYDAGFVMHREQQ-UHFFFAOYSA-N 443.456 4.088 5 20 IIBD CC(=O)NCc1ccc(-c2csc(NC(=O)c3cc(F)cc(C)c3[N+](=O)[O-])n2)cc1 1319607218 VTUSFOYFUBKPAH-UHFFFAOYSA-N 428.445 4.054 5 20 IIBD O=C(NC1CC1)[C@@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 1319717456 XXTHTHIUHWXFLL-CYBMUJFWSA-N 448.317 4.108 5 20 IIBD Cc1cccc(C(=O)N2CCCN(Cc3ccc([N+](=O)[O-])cc3Br)CC2)c1 1320712923 SGGVQMGLHZJSDF-UHFFFAOYSA-N 432.318 4.014 5 20 IIBD CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc([N+](=O)[O-])cc3F)CCC2)cc1 1787706129 NXBILKIJACRRAL-UHFFFAOYSA-N 427.476 4.457 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)CCC2)cc1)c1ccccc1 1790213143 CQRSZHDNQDSDEU-UHFFFAOYSA-N 431.448 4.362 5 20 IIBD CC[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc([N+](=O)[O-])c(O)cc2C)C3)CC1 1802024287 CDRSYJMOBDYIOL-YCEIQTCASA-N 443.544 4.077 5 20 IIBD Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)cc1C 1830005606 DNBGFSJPPRXGHD-OAQYLSRUSA-N 438.528 4.087 5 20 IIBD Cc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C(C)C)CC2)cc(Cl)cc1[N+](=O)[O-] 1830736311 VMHXWQVAEGLXPE-IBGZPJMESA-N 435.952 4.446 5 20 IIBD Cc1c(C(=O)N2CC3(CCCN3C(=O)C(C)(C)C(C)(F)F)C2)cc(Cl)cc1[N+](=O)[O-] 1841679353 XFYFCHBWBZRCNE-UHFFFAOYSA-N 443.878 4.055 5 20 IIBD Cc1ccc(CC(=O)N2CCCC23CN(C(=O)c2cc4cc([N+](=O)[O-])ccc4s2)C3)cc1 1842725934 WBAFEKNQRRCTOF-UHFFFAOYSA-N 449.532 4.178 5 20 IIBD Cc1c(C(=O)N2CC3(CCCN3C(=O)C3(F)CCCCC3)C2)cc(Cl)cc1[N+](=O)[O-] 1843884988 QVIAMOSRTPSDAE-UHFFFAOYSA-N 437.899 4.046 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC2(CCCN2C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)C1 1843939265 RUFKQIJGYHIMHS-TYCQWZJGSA-N 443.519 4.157 5 20 IIBD C[C@@H](OC(=O)c1cccc(Br)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 10628216 JSSAHDAFJUQNFB-SECBINFHSA-N 427.638 4.195 5 20 IIBD CCc1ccccc1NC(=O)CN(C)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 15558474 SHYNISFOQCXSAG-UHFFFAOYSA-N 446.507 4.480 5 20 IIBD C[C@H](Sc1nc(-c2ccccc2Br)n[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 21688554 KTSSVUDTMJVTHL-JTQLQIEISA-N 448.302 4.262 5 20 IIBD NC(=O)N[C@@H](CC(=O)OCc1ccccc1[N+](=O)[O-])c1cccc(Oc2ccccc2)c1 26543830 FLDIZLDYUIGRKR-FQEVSTJZSA-N 435.436 4.230 5 20 IIBD Cc1ccc(-n2cnnc2SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1Cl 68883623 USBDERWYVOZYBJ-UHFFFAOYSA-N 428.861 4.480 5 20 IIBD O=C(NCc1cccc(OCC(F)(F)F)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 107573772 STXKMFFXKUVIFJ-UHFFFAOYSA-N 437.418 4.069 5 20 IIBD O=C(NCc1cccc(CN2CCCCCC2)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 109504205 FHJQXQZKWUFYLA-UHFFFAOYSA-N 433.512 4.087 5 20 IIBD Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 195625244 VMKXGLRJECBIFF-UHFFFAOYSA-N 426.860 4.174 5 20 IIBD COc1ccc(CN[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 237352486 QEGRZPMYSJNGIP-QGZVFWFLSA-N 437.418 4.076 5 20 IIBD C[C@@H](Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1cccc(-n2cccn2)c1 301433232 PWTPZQROPSPJGO-CQSZACIVSA-N 436.859 4.153 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NCCc1ccc(Cl)nc1 301673382 RIUCZQZVNARWSH-UHFFFAOYSA-N 432.889 4.099 5 20 IIBD Cn1ncc([N+](=O)[O-])c1-c1nc(C2(c3ccc(Br)c(Cl)c3)CCC2)no1 426585598 YEFXGKVYYBYXLC-UHFFFAOYSA-N 438.669 4.264 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cn1 428597940 IUXSMCRJSQLTFG-MRXNPFEDSA-N 444.879 4.307 5 20 IIBD Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 429806327 LBZCZVAJQIMYOP-UHFFFAOYSA-N 434.290 4.304 5 20 IIBD CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 431489350 TWQKWVCOEWYLCX-UHFFFAOYSA-N 435.274 4.494 5 20 IIBD Cc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c(OC[C@@H]2CCCO2)c1 431792865 XOQZWHHUAHHOCU-INIZCTEOSA-N 435.274 4.476 5 20 IIBD CCN([C@@H](c1cccnc1)c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 431890543 RZWNYYJLTSTUQL-OAQYLSRUSA-N 447.463 4.377 5 20 IIBD CCN([C@@H](c1cccnc1)c1ccc(F)c(F)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C 431917164 UFPHXEFUKJSFOG-OAQYLSRUSA-N 447.463 4.377 5 20 IIBD COc1ccccc1-c1noc(C2CCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)n1 432434791 OBEFONHRNMWKSY-UHFFFAOYSA-N 442.859 4.327 5 20 IIBD O=C(c1cc2ccccc2s1)N1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 432923511 SSTJPWUKHBLOBV-UHFFFAOYSA-N 436.415 4.186 5 20 IIBD CCOC(=O)c1sc2nc(CN(C)C)nc(Oc3cc(F)cc([N+](=O)[O-])c3)c2c1C 433418650 VTTQWTNQDUGWFG-UHFFFAOYSA-N 434.449 4.078 5 20 IIBD C[C@@H](O)CCCNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 434136122 CZVXJCYVXUFBDS-GFCCVEGCSA-N 425.844 4.140 5 20 IIBD O=C(Nc1ccccc1Oc1cccc(F)c1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 435500004 FCBJGMXHPJWVLS-UHFFFAOYSA-N 449.394 4.432 5 20 IIBD COc1cc(CN(C)[C@H]2CCOc3ccc(Br)cc32)c([N+](=O)[O-])cc1OC 438478127 NUOMLBXIDJJLLS-HNNXBMFYSA-N 437.290 4.330 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)cc1[N+](=O)[O-] 438778191 YZMJUDXHANWAQD-UHFFFAOYSA-N 435.845 4.245 5 20 IIBD C[C@@H](OC[C@@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Cl)cc1 438817035 DUGSXKXERHECQF-UZLBHIALSA-N 434.920 4.230 5 20 IIBD Cc1cncc(N(Cc2ccc(F)cc2)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1 441391617 BOVZOCWRBGQCDP-UHFFFAOYSA-N 431.427 4.470 5 20 IIBD CC(C)C[C@H](NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)C(=O)OC(C)C 444018658 ACBNXCXPYGBDGO-SFHVURJKSA-N 430.451 4.056 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCC[C@H](N2CCCC2)CC1 444099034 ZQLYXGAPXSKPNQ-KRWDZBQOSA-N 425.479 4.050 5 20 IIBD CC(C)CNC(=O)c1ccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1Cl 446830564 UDHBNFPTFGGNMQ-UHFFFAOYSA-N 430.892 4.224 5 20 IIBD Cc1ccc(C)n1C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 447029469 LKVUPXJTXSKTCW-UHFFFAOYSA-N 431.436 4.058 5 20 IIBD COc1cc(C(=O)N2CCCN(C)c3ccc(Cl)cc32)c([N+](=O)[O-])cc1OC(F)F 460310822 JJHVEIOKVHNFTP-UHFFFAOYSA-N 441.818 4.345 5 20 IIBD COc1cccc([C@H]2CCCN2c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCOC2)c1 461645647 IFTAJVZKWGLZHE-HTAPYJJXSA-N 449.511 4.240 5 20 IIBD CC(C)(C)Oc1ccc(CNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)c(C(F)(F)F)c1 463014757 UARVRJRJKWGCFO-UHFFFAOYSA-N 447.435 4.050 5 20 IIBD Cc1ccc(CCN(CC(F)(F)F)C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)cc1 463938105 DMXGTGFYNQKKGX-UHFFFAOYSA-N 447.417 4.040 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCc2cc(OC)ccc21 464193289 WJJSWZKZDDQCMN-INIZCTEOSA-N 430.526 4.192 5 20 IIBD Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 466800710 IUTMADRVHGNDKP-UHFFFAOYSA-N 435.665 4.757 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)cc1 469091183 AAIWMKZSWQBGQZ-IBGZPJMESA-N 446.916 4.305 5 20 IIBD CC[C@@H]1CN(C(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)CC[C@@H]1c1ccccc1 470018595 PYUDGSRHLZFQLZ-QUCCMNQESA-N 446.507 4.105 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](N[C@@H]1CCC[C@H]2OCC[C@H]12)c1ccccc1 471644725 CGZMZQRKSDBXOY-KRZXBLKESA-N 429.904 4.475 5 20 IIBD COc1c(C(=O)NCc2cccc(NC(=O)Nc3cccc(C)c3)c2)cccc1[N+](=O)[O-] 474944596 IOQYBXFZQJEUSJ-UHFFFAOYSA-N 434.452 4.486 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 479812804 KROOKXJTFYBIMX-SNVBAGLBSA-N 448.829 4.270 5 20 IIBD CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 480509168 KTJVKKKKMONHII-UHFFFAOYSA-N 443.500 4.178 5 20 IIBD CCS[C@H]1CCC[C@H]1NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] 480984777 CPPONUHTTCHTRB-KDOFPFPSSA-N 437.543 4.043 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1nc([C@H]2C[C@H]3CC[C@H]2C3)cs1 482348610 FVVWOMVPVHANDR-YDHLFZDLSA-N 442.497 4.282 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CN[C@H](CO)c3ccc(Cl)cc3C(F)(F)F)n2)c1 483272901 SCNPFSWAVGEGCA-OAHLLOKOSA-N 442.781 4.140 5 20 IIBD Cn1cnc(-c2ccc(NC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])cc2)n1 486159517 TXYHGASNLOCREK-UHFFFAOYSA-N 429.436 4.222 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ncc4c(n3)CCC(C)(C)C4)cc2)c(C)c1[N+](=O)[O-] 488202304 NTLOBLNPEOZPJI-UHFFFAOYSA-N 434.500 4.014 5 20 IIBD CN1CCC(n2ccc(NC(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)n2)CC1 488544137 MXSFGKZQZGVJSB-UHFFFAOYSA-N 436.472 4.494 5 20 IIBD O=c1c2cnn(-c3cccc(C(F)(F)F)c3)c2ncn1Cc1c(Cl)cccc1[N+](=O)[O-] 488721028 LLBLUYVGYUQHBC-UHFFFAOYSA-N 449.776 4.211 5 20 IIBD COCC1CCN(C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 488930866 BAGBGBRTQVUDQV-UHFFFAOYSA-N 428.510 4.046 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2ccc(OC)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 489432018 FWXFXNRTUGZSBL-ZDUSSCGKSA-N 427.486 4.001 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)cc1[N+](=O)[O-] 489939951 SRVXVIOAMBXJLT-IFXJQAMLSA-N 427.892 4.440 5 20 IIBD CC(C)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)cnn1-c1ccccc1 490353038 LYHXMXHKQAAGSJ-UHFFFAOYSA-N 426.498 4.241 5 20 IIBD CCCNC(=O)CNC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 490741705 BYNSDECZSVPNJA-UHFFFAOYSA-N 441.431 4.021 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cccc(S(=O)(=O)C3CCCCC3)c2)c1 491479447 BBONDWPUBBBXJT-UHFFFAOYSA-N 446.525 4.417 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Nc2ccccc2NC(=O)c2ccccc2)cc1[N+](=O)[O-] 491550758 YUQPKALPPCAMPA-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD O=C(C1CCSCC1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 492543333 VLSNLXDDLUDHOR-UHFFFAOYSA-N 431.583 4.111 5 20 IIBD CCc1cccc(NC(=O)CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c1 498453593 RFCYDRXTHOZUBD-UHFFFAOYSA-N 432.480 4.138 5 20 IIBD CN1CCC(N(Cc2ccccc2)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 498490379 BLVLLEIDLGZWET-UHFFFAOYSA-N 430.936 4.097 5 20 IIBD Cc1cnc(O)n1-c1ccc([C@H](C)NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 501861680 NLUCDDROHKZJJK-AWEZNQCLSA-N 449.492 4.409 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1 505787231 MFGDWDNFUGBTNT-UHFFFAOYSA-N 433.574 4.208 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1cscc1Br)c1ccccc1[N+](=O)[O-] 505864310 KYFAXAGKQPVKHF-AWEZNQCLSA-N 441.303 4.232 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2cc3c(cc2F)CCC(=O)N3)cc1[N+](=O)[O-])c1ccccn1 506189602 NIKRBJGBVHCBDO-CYBMUJFWSA-N 449.442 4.439 5 20 IIBD O=C(c1ccccc1F)N1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 506445259 PAGSHUMADDDWRM-UHFFFAOYSA-N 440.500 4.206 5 20 IIBD O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@H](C(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 506607895 GPCURYCCLXERTA-HNNXBMFYSA-N 448.306 4.343 5 20 IIBD CC(C)c1ccc(CN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1[N+](=O)[O-] 506730316 MHYWJBAGELOKLG-UHFFFAOYSA-N 425.485 4.298 5 20 IIBD COc1ccc(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1Br 507006806 VBMZTLNVRRSDRO-LLVKDONJSA-N 425.304 4.163 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@@H](C)N(C)c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 507052118 LWDMYPZXMLKAJN-MSOLQXFVSA-N 433.512 4.418 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC(C)C)c(C(N)=O)c1 507083571 VROZTUVJTNJHNL-UHFFFAOYSA-N 431.514 4.481 5 20 IIBD Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)N(C)C 508902874 XEAZQGNNSFIHHS-FDDCHVKYSA-N 440.544 4.147 5 20 IIBD CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)CCn2cc([N+](=O)[O-])cn2)cc1 508991155 OLNZUEOACLCYTJ-UHFFFAOYSA-N 435.484 4.370 5 20 IIBD COc1cc(F)c([C@@H](C)NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1OC 510741947 SVRCPXSBMBFPAM-SNVBAGLBSA-N 446.353 4.183 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(Br)c3cccnc23)cc([N+](=O)[O-])c1 511917820 KJENVVDXVWEEFG-UHFFFAOYSA-N 444.241 4.335 5 20 IIBD C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1cccc(S(=O)(=O)Nc2nccs2)c1 512609252 HKEZPXOECOVDJV-UVTDQMKNSA-N 430.511 4.368 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)N1CC[C@@H](COC(F)F)C1 512822199 FPJUKPWTYXAENQ-FZKQIMNGSA-N 439.846 4.489 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](CNC(=O)c2ccco2)C1 514201587 JCBWOUVLZOSJBT-MRXNPFEDSA-N 445.541 4.218 5 20 IIBD O=C(c1cc(Cl)c[nH]1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 515562351 LDXXSFQAIBVCDH-UHFFFAOYSA-N 430.917 4.263 5 20 IIBD O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)Nc1ccc([N+](=O)[O-])cc1Cl 516815833 KKSQLBLDXHMTNM-JTQLQIEISA-N 434.663 4.116 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 518313320 GVZDPMPDDXVTBK-QGZVFWFLSA-N 435.864 4.007 5 20 IIBD COc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1OCc1cn2ccccc2n1 518793182 DEVKGMNCXPBNQX-UHFFFAOYSA-N 436.399 4.222 5 20 IIBD O=C1C[C@H](C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)CN1c1ccc(F)cc1F 518893132 NHTUFMBJJNEUFC-AWEZNQCLSA-N 429.423 4.202 5 20 IIBD CCNc1ccc(C(=O)Nc2cccc(CS(=O)(=O)c3ccccc3)c2)cc1[N+](=O)[O-] 521084217 WHFQPUJUEFZPKS-UHFFFAOYSA-N 439.493 4.253 5 20 IIBD O=C(CCN1CCCCC1)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 521793151 QQSAYGIZLNJAQR-UHFFFAOYSA-N 430.892 4.315 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2cccc(C[S@@](C)=O)c2)cc1[N+](=O)[O-])c1ccccn1 523726486 ZLOSVDBXXRDKGO-PBNKOMEISA-N 438.509 4.294 5 20 IIBD COc1cc(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)c(C)cc1C 526037538 JLSHVJKQGVHIHM-UHFFFAOYSA-N 426.210 4.077 5 20 IIBD CC[S@](=O)[C@@H]1CCC[C@H](NCc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 531172069 GOAAERRNWYXOHN-RWQLPTIWSA-N 446.569 4.352 5 20 IIBD CC[C@@H](CO)NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3c3cccnc23)cc1 532676763 YEDUWMGCJIQNSG-IBGZPJMESA-N 427.504 4.070 5 20 IIBD C[C@@H](c1ccc(F)cc1F)N1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 533424700 RMRXJQUHCROLOM-INIZCTEOSA-N 442.466 4.449 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@H]1Cn1cnc2ccccc21 533750169 PHVWSIGLTHRZKP-KRWDZBQOSA-N 433.493 4.373 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N(CCCO)Cc1cccc(Cl)c1 536039043 KORWOTALMNZMAF-UHFFFAOYSA-N 427.682 4.036 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCc2cc(Cl)sc2Cl)ccc1[N+](=O)[O-] 536561954 ODRQUIZSNAFVGP-CQSZACIVSA-N 442.324 4.193 5 20 IIBD COc1cccc(CCC(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)c1OC 537153569 MLWPZNYLLAWRQC-UHFFFAOYSA-N 427.482 4.331 5 20 IIBD COc1cc(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)ccc1OCc1ccc([N+](=O)[O-])cc1 537630845 FVNKUURTYAKEFP-XLIONFOSSA-N 440.418 4.070 5 20 IIBD CSc1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2I)c1 538339480 DAYJKPOQVXTUII-UHFFFAOYSA-N 428.251 4.482 5 20 IIBD C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1F 541583903 KHHIONAKCITKBD-GFCCVEGCSA-N 441.381 4.332 5 20 IIBD COCCOc1ccc(-c2noc(-c3ccc([N+](=O)[O-])cc3Br)n2)cc1F 545737822 AQYRBTLYGJJDEK-UHFFFAOYSA-N 438.209 4.239 5 20 IIBD Cn1nccc1[C@@H]1CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2Cc2cccs2)C1 549579789 ZMZKAAKBVRPNEQ-QGZVFWFLSA-N 449.540 4.081 5 20 IIBD CC(C)c1ccc(CNCc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)cc1[N+](=O)[O-] 551587785 GYUNPMYBRRMHMV-XMMPIXPASA-N 436.512 4.233 5 20 IIBD C[C@@]1(c2ccccc2)CCCN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1 553180249 VJMRKDYKJNBWPI-XMMPIXPASA-N 437.496 4.253 5 20 IIBD O=C(CCC(F)(F)F)N1CCC[C@@H](N[C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 554095063 NBGUZLXUJUPBRY-CGTJXYLNSA-N 427.467 4.229 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC2(CCN(Cc3ccccc3)CC2)C1 554412901 VAGGDRGLSDQMHW-UHFFFAOYSA-N 425.554 4.202 5 20 IIBD Cc1ccc(Cc2ccccn2)cc1NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 555270060 XLAYNZZFRADMKQ-UHFFFAOYSA-N 444.491 4.019 5 20 IIBD CCCN(C)[C@H](CNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])c1ccc(Cl)cc1 557341741 FSEICBXUWNEIKU-GOSISDBHSA-N 435.908 4.078 5 20 IIBD Cc1cccc([C@H](c2noc(-c3ccc(N4C(=O)CCC4=O)c([N+](=O)[O-])c3)n2)C(C)C)c1 570886869 NAUCSLDONJWQOB-OAQYLSRUSA-N 434.452 4.395 5 20 IIBD O=C(NCC1(c2ccc(F)cc2)CCOCC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 572545292 JEMQNERYQDUVND-UHFFFAOYSA-N 426.366 4.231 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 572769758 RDQXJXVOTVRGKP-CQSZACIVSA-N 431.880 4.088 5 20 IIBD CSc1ccc([C@H](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)N(C)C)cc1 573240413 VWOQUPGUSOTQQM-DEOSSOPVSA-N 445.588 4.296 5 20 IIBD CCOC(=O)C(C)(C)c1csc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 574428584 AGJKJHWXKIPHIU-UHFFFAOYSA-N 431.392 4.163 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CCC[C@@H](c2nc3ccccc3s2)C1 574872894 DAMMCNXXKMICDS-GOSISDBHSA-N 438.553 4.421 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2c(Cl)cccc2-n2ccnc2)cc1SC 576910197 BQUQICNJJJETRC-UHFFFAOYSA-N 432.889 4.094 5 20 IIBD COc1cc(Cc2noc(/C=C\c3ccc(OC(F)F)cc3)n2)c([N+](=O)[O-])c(OC)c1 577693558 ALPXTPZENRFSNO-YVMONPNESA-N 433.367 4.358 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N(CCO)Cc1cc(Br)ccc1F 579179483 VDSLUGAROKITDQ-UHFFFAOYSA-N 440.269 4.085 5 20 IIBD Cc1cc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])nn1-c1ccc(F)cc1F 580481325 YXNDXIYOKAHDNF-UHFFFAOYSA-N 426.301 4.638 5 20 IIBD COC(=O)c1cc(Cl)cc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])c1O 588097075 VXZPMFPSOMQHBZ-UHFFFAOYSA-N 427.800 4.055 5 20 IIBD CC1CCN(CCc2cccc(NC(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)c2)CC1 589333590 SQXBCDYEBUQEOL-UHFFFAOYSA-N 438.528 4.296 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2CCNc3ccccc3C2)c([N+](=O)[O-])c1 589559514 WMLASEXTJYGEDA-UHFFFAOYSA-N 431.448 4.045 5 20 IIBD COc1ccc(C(=O)Nc2cc(C)nn2-c2cccc(Br)c2)cc1[N+](=O)[O-] 603599262 FOLZZAVOFYVYOD-UHFFFAOYSA-N 431.246 4.112 5 20 IIBD COc1cccc(-c2cc(NC(=O)COc3ccccc3[N+](=O)[O-])n(-c3ccccc3)n2)c1 603760387 MUCUDNGADKNMPG-UHFFFAOYSA-N 444.447 4.474 5 20 IIBD C[C@@H](NC(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1cccc([N+](=O)[O-])c1 604126675 QOGCYGNVYMKKTQ-OAHLLOKOSA-N 436.434 4.202 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN[C@H]2CCCc3c2cnn3CCO)cc1 608782031 ITVVZHYBYUBHMB-IBGZPJMESA-N 442.903 4.397 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCc2sccc2[C@@H]1c1cccs1 608875531 OPQRRCAULUTLOS-ORAYPTAESA-N 441.534 4.010 5 20 IIBD COc1cc(CCNC(=O)[C@@H](C)Oc2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])cc1OC 608903049 XNIXDFNFBGCCMW-LLVKDONJSA-N 443.283 4.045 5 20 IIBD C[C@H](NC1(CNC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)CCCC1)c1ccccc1 609549691 GWVKPRVHTXKKHC-INIZCTEOSA-N 434.496 4.242 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)c1c(C)noc1C 609613612 PZYFSUVTYFNXON-GFCCVEGCSA-N 446.485 4.182 5 20 IIBD CC(C)OC1CCN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CC1 609857211 CAUUPWAIMTXTQC-UHFFFAOYSA-N 427.288 4.117 5 20 IIBD CC(=O)Nc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3Br)sc2c1 610064021 QXEGMHTVJGTRDX-UHFFFAOYSA-N 435.259 4.178 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2cccc(CN3CCCC3=O)c2)cc1[N+](=O)[O-] 611073156 LFLBCTWGURRBCI-UHFFFAOYSA-N 432.274 4.040 5 20 IIBD CN(CC(=O)NCc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611206297 QIKSQQIKIOVLDM-UHFFFAOYSA-N 427.526 4.018 5 20 IIBD Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cn1 611216471 OVGRLHLGJDYXJD-INIZCTEOSA-N 442.541 4.241 5 20 IIBD CCC1(O)CCC(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 611315559 HYWFRWGTFJVDCQ-UHFFFAOYSA-N 448.523 4.190 5 20 IIBD CCC[C@H](NC(=O)c1cc([N+](=O)[O-])cc(I)c1C)c1ccccn1 619746174 WTTJSFGGUWIXNW-INIZCTEOSA-N 439.253 4.174 5 20 IIBD O=[N+]([O-])c1ccc2nc(Sc3ccc(CNC[C@H]4CCOC4)cc3[N+](=O)[O-])sc2c1 725847783 DLAZQSQMNZRIGY-CYBMUJFWSA-N 446.510 4.390 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)Nc1cccc2ncccc12 725985185 HNTQTUVHXBIWKZ-NSHDSACASA-N 444.241 4.090 5 20 IIBD COC(=O)Nc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)ccc1F 727334824 AXQVKZPOLYHSMJ-UHFFFAOYSA-N 430.436 4.401 5 20 IIBD Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)OCc2c(F)cccc2[N+](=O)[O-])c1 728986546 CTQHCQHAXKFPPK-UHFFFAOYSA-N 430.461 4.075 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC1(c2ccc(Cl)cc2)CCCCC1 731624182 BTXSYQCZDOPZKC-UHFFFAOYSA-N 446.887 4.424 5 20 IIBD COc1ccccc1Oc1ccc(CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)cc1 732004274 LPJGYHHYUMWONV-UHFFFAOYSA-N 426.400 4.230 5 20 IIBD C[C@H](Oc1cccnc1)C(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 735422046 SXTVRXGJMQHKRJ-ZDUSSCGKSA-N 441.827 4.268 5 20 IIBD C[C@H](OC(=O)[C@H]1CSc2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 735737668 FYSITFUGDQGHOG-GWCFXTLKSA-N 440.399 4.373 5 20 IIBD COc1ccc(CNC(=O)Nc2ccccc2CN(C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 737000522 CHQIOVCOSUILBP-UHFFFAOYSA-N 444.488 4.292 5 20 IIBD COc1cc(N2CCC(OC(=O)c3cc4cccc(OC)c4o3)CC2)ccc1[N+](=O)[O-] 739370731 NSPLDYQGTVLOKN-UHFFFAOYSA-N 426.425 4.184 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1OS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 742284682 WNHRVOBNYIKJAC-UHFFFAOYSA-N 427.605 4.231 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@@H]3CCOc4ccccc43)CC2)ccc1[N+](=O)[O-] 744204881 SADQWACBYAIRGL-LJQANCHMSA-N 426.469 4.072 5 20 IIBD O=C(Nc1ccc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)cc1)OCC(F)(F)F 744364178 OTUVAPXGUFLSNI-UHFFFAOYSA-N 449.345 4.144 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)OCc2csc(CCC(C)C)n2)ccc1[N+](=O)[O-] 744926884 CZCUKHQUGLOBDW-IBGZPJMESA-N 445.541 4.296 5 20 IIBD O=C(O[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1c(Cl)cccc1[N+](=O)[O-] 744983697 OJQKXDBLZGYFDK-HNNXBMFYSA-N 440.786 4.202 5 20 IIBD CN(CC(=O)OCc1nnc(-c2c(Cl)cccc2Cl)o1)c1ccccc1[N+](=O)[O-] 745614831 HPIZEOSWEBTRCF-UHFFFAOYSA-N 437.239 4.131 5 20 IIBD Cc1c(C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 748659611 BMWCXDYFOCQPHP-UHFFFAOYSA-N 436.877 4.270 5 20 IIBD O=C(COC(=O)c1ccnc(Oc2ccccc2)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 749294690 VMTPCLPMYRZXMQ-UHFFFAOYSA-N 427.800 4.231 5 20 IIBD O=C(Nc1cccc(CS(=O)(=O)c2ccccc2)c1)c1cccc(Cl)c1[N+](=O)[O-] 749990472 OOWNSSOWZWTTQW-UHFFFAOYSA-N 430.869 4.474 5 20 IIBD C[C@H](C(=O)Nc1cc(F)ccc1F)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 750616058 NCFYLRVJXKKNBA-SNVBAGLBSA-N 440.244 4.021 5 20 IIBD O=C(Nc1cccc(-c2cccs2)c1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 751200568 FXPRYWDMFFCGJK-CQSZACIVSA-N 425.441 4.454 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N(CCc2ccccc2)Cc2cccnc2)cc1[N+](=O)[O-] 752235957 SESVHOKHDUDJIN-UHFFFAOYSA-N 445.928 4.385 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CN(Cc3ccccc3)C[C@@H](O)c3cccs3)n2)c1 756055359 HTVZMQUIFVMTPK-LJQANCHMSA-N 436.493 4.442 5 20 IIBD Cc1nc(COC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)oc1-c1ccc(Cl)cc1 757069387 ASZKTCJTALCXFR-UHFFFAOYSA-N 439.815 4.149 5 20 IIBD O=C(CCNC(=O)c1ccc2ccccc2c1)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760484831 GGKCGLVXZPLMJL-UHFFFAOYSA-N 445.431 4.266 5 20 IIBD CCCN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C1CCN(C(=O)OC(C)(C)C)CC1 763059916 FWHVNRGCOGNYAH-UHFFFAOYSA-N 430.505 4.328 5 20 IIBD CCOC(=O)Nc1ccc2c(COC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)cc(=O)oc2c1 763425531 RCRPFMSRABELNH-CYBMUJFWSA-N 440.408 4.117 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 765531190 RHUCFFIVBDKGIT-JSGCOSHPSA-N 449.847 4.296 5 20 IIBD Cc1ccc(NC(=O)Nc2ccccc2)cc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 768865186 JPQFQTMJHQOKFU-UHFFFAOYSA-N 432.483 4.410 5 20 IIBD O=C(Nc1cccnc1)c1ccc(OC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 770436223 CQZIJCQUHPIKNW-UHFFFAOYSA-N 442.225 4.224 5 20 IIBD O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)c1 771501794 MUCJYIXQQUKWAM-UHFFFAOYSA-N 434.437 4.496 5 20 IIBD Cc1ccc(Cl)c2ccc(NC(=O)c3c4c(cc([N+](=O)[O-])c3[N+](=O)[O-])OCCO4)nc12 776220123 JCGBSZNISMOUIB-UHFFFAOYSA-N 444.787 4.037 5 20 IIBD Cc1ccc(NC(=O)C[C@](O)(c2nc3ccccc3s2)C(F)(F)F)cc1[N+](=O)[O-] 777839439 YORUGEGZNMONTH-KRWDZBQOSA-N 425.388 4.292 5 20 IIBD COc1c(F)cc(S(=O)(=O)Oc2ccc(Sc3ccncc3)cc2)cc1[N+](=O)[O-] 777918442 BWTCBYZACCURBE-UHFFFAOYSA-N 436.442 4.056 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1csc(-c2ccc(F)c(F)c2)n1 780133692 HGFCBZTVMHRPRS-UHFFFAOYSA-N 433.392 4.100 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cccc(NC(=O)c2ccccc2)c1 781618173 ICWFZRCJHXJRLJ-UHFFFAOYSA-N 434.408 4.327 5 20 IIBD CC(C)n1c([C@H]2CCCN2C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)nc2ccccc21 781997190 XJOURNMVCQHTRD-YADHBBJMSA-N 447.495 4.382 5 20 IIBD COc1ccc(C2(CNC(=O)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CCCCC2)cc1 783312903 JCXDKKZTHRSFHL-UHFFFAOYSA-N 445.903 4.214 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])Oc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1 783958376 VRIXSJHQYCZVEB-INIZCTEOSA-N 427.438 4.194 5 20 IIBD COc1ccc(OCCOC(=O)c2c(F)ccc(C)c2Br)c([N+](=O)[O-])c1 785112648 RCHYFOIVPHWFQD-UHFFFAOYSA-N 428.210 4.049 5 20 IIBD Cc1cnc(COC(=O)c2ccccc2N(C)C(=O)c2cccs2)c(C)c1[N+](=O)[O-] 789445229 DFBMQGQHVDADNN-UHFFFAOYSA-N 425.466 4.302 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C 789516073 HGRDVKGEPDBTTN-QGZVFWFLSA-N 448.541 4.109 5 20 IIBD O=C(COc1cc(F)c(Br)cc1[N+](=O)[O-])Nc1ccc(OC(F)F)cc1 790295765 KQWHHKNYRZZAFE-UHFFFAOYSA-N 435.152 4.115 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cc(C)n(CCCOc3ccc(F)cc3)n2)c1F 790905364 OSKHHLKAMWRZJJ-UHFFFAOYSA-N 430.411 4.408 5 20 IIBD O=C(O[C@@H]1CCO[C@H]([C@@H]2CCOC2)C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 799625164 NSKPPJPFRBQRKC-MDZRGWNJSA-N 429.494 4.487 5 20 IIBD Cc1nc(Cc2nnc(SCc3ccc(Br)c([N+](=O)[O-])c3)o2)cs1 800830252 PFSINTCSRCQLKD-UHFFFAOYSA-N 427.305 4.388 5 20 IIBD CS[C@H]1C(=O)Nc2ccc(-c3noc(-c4cc([N+](=O)[O-])ccc4N4CCCC4)n3)cc21 809377203 CWSPEWRLMRMOEH-GOSISDBHSA-N 437.481 4.268 5 20 IIBD CC(C)C(=O)Nc1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cc1 809824453 AWMUWSOFXABZSD-UHFFFAOYSA-N 433.269 4.264 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](C2CCN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)CC2)C1 810949401 PDKYSHPIPBGOFT-QBUQCISBSA-N 429.517 4.104 5 20 IIBD COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 813091290 YOVNGTYBEIARFT-UHFFFAOYSA-N 449.250 4.435 5 20 IIBD Cc1nc(C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)c(C)o1 814503208 BOUWGIYGWIWERU-GOSISDBHSA-N 429.816 4.390 5 20 IIBD C[C@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ncc(-c2ccccc2)o1 815019422 HJZUSGLHJKJNDB-JTQLQIEISA-N 425.825 4.082 5 20 IIBD Cc1cc2nc(C)c(CCC(=O)OCc3cc([N+](=O)[O-])ccc3C(F)(F)F)c(C)n2n1 815181713 GQXPCCDZUIZJAZ-UHFFFAOYSA-N 436.390 4.258 5 20 IIBD CC(C)(C(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1)c1ccccc1[N+](=O)[O-] 816544671 OYYHVXCKKHCICL-LJQANCHMSA-N 439.512 4.037 5 20 IIBD CCOC(=O)N1CCC(OC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)CC1 915172633 VRHXMWJIWLSJHO-UHFFFAOYSA-N 444.440 4.173 5 20 IIBD CCN(CC)Cc1ccc(C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)o1 917206190 XFWQIWSLIDKDKC-UHFFFAOYSA-N 441.488 4.130 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)NC(=O)OC(C)(C)C 917732444 MLPAGOOJBWFPAR-QGZVFWFLSA-N 449.891 4.253 5 20 IIBD C[C@H](Oc1cccc(Cl)c1Cl)C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 919141469 XBRWNWCNKZZKNB-JTQLQIEISA-N 438.223 4.462 5 20 IIBD C[C@H](OC(=O)c1ccc(O[C@H](C)c2ccccc2)nc1)C(=O)Nc1cccc([N+](=O)[O-])c1 919213627 GKZFSBZGVPUWBZ-CVEARBPZSA-N 435.436 4.314 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 920765672 CWXCDMSKILMEPS-LLVKDONJSA-N 438.267 4.434 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCC(n3cc(Cl)cn3)CC2)c1=S 1116508447 NMQCDJRVWAHQFY-UHFFFAOYSA-N 447.952 4.154 5 20 IIBD CCc1cccc(NC(=O)COC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 1116692438 UXIFFVGVRBJFKE-UHFFFAOYSA-N 436.414 4.317 5 20 IIBD CC(C)n1ncc2c1[C@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])CCC2 1320369190 KGCVOFGZCSLWNJ-CQSZACIVSA-N 432.424 4.155 5 20 IIBD O=C(N[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1)OCc1ccccc1 1332027632 RJPDFEHBDQDFBU-QHCPKHFHSA-N 445.475 4.147 5 20 IIBD O=C(NCCc1c[nH]c2cccc(Br)c12)N1Cc2ccc([N+](=O)[O-])cc2C1 1343630093 NQVWZIRRHPFRBT-UHFFFAOYSA-N 429.274 4.107 5 20 IIBD Cc1cc(-c2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc(C)c1OCC(=O)N1CCCCC1 1349934807 QALKZQODJKJBIU-UHFFFAOYSA-N 436.468 4.320 5 20 IIBD O=C(/C=C/c1ccccc1)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1 1790184573 XWPCYCKSRWAHOU-VGOFMYFVSA-N 430.464 4.384 5 20 IIBD C/C=C(\C)C(=O)Nc1ccc(C2(NC(=O)Cc3cc(F)ccc3[N+](=O)[O-])CCC2)cc1 1791223922 ZPFOBYGUVIGBJE-CRKCGEKBSA-N 425.460 4.377 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@H]3C[C@H]3c3ccccc3)cc2)CCC1)c1ccc([N+](=O)[O-])[nH]1 1791532018 CQDKPFPWFQZILG-PMACEKPBSA-N 444.491 4.474 5 20 IIBD Cc1c(Cl)cccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cccc([N+](=O)[O-])c1 1792474763 SGSRWTGFZSSOJD-BCDXTJNWSA-N 441.915 4.051 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CC=CCC2)[nH]n1)c1cccc(F)c1[N+](=O)[O-] 1821168288 WNIXJVGKBXYZTN-KDOFPFPSSA-N 441.463 4.119 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1)c1ccc2ccoc2c1 1821454394 SIPLIQLMRWAIBA-INIZCTEOSA-N 449.423 4.277 5 20 IIBD Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)s1 1825786528 LBDXMXKFSQUEDW-INIZCTEOSA-N 431.514 4.105 5 20 IIBD C[C@@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)N1CCN(c2ccccc2)CC1 9968445 BZKRVTRJIGKLMP-CQSZACIVSA-N 428.539 4.034 5 20 IIBD Cc1cc2ccccc2n1CC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 10620947 JGSIOCURZXRIDS-UHFFFAOYSA-N 435.358 4.059 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccccc1[N+](=O)[O-] 24482991 CDNYDMBKVMUQJQ-KDOFPFPSSA-N 434.876 4.215 5 20 IIBD Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 27344549 UHHYQDQLKUWBGJ-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD Cc1csc(SCc2ccccc2C(=O)NCCNc2ccccc2[N+](=O)[O-])n1 29546375 JRFZQONORGQJHM-UHFFFAOYSA-N 428.539 4.494 5 20 IIBD Cc1n[nH]c(-c2ccc(NC(=O)c3ccc(N4C[C@@H](C)C[C@@H](C)C4)c([N+](=O)[O-])c3)cc2)n1 65187175 AYVBSYJZOUSCJP-GASCZTMLSA-N 434.500 4.423 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1 302522734 JFNXCGPNYLMILQ-ISVAXAHUSA-N 431.289 4.417 5 20 IIBD COc1ccc(CN[C@H]2CCCC[C@@]2(C)C(=O)O)cc1OCc1ccc([N+](=O)[O-])cc1 426749111 COXWLOOEJVTSLS-JTHBVZDNSA-N 428.485 4.306 5 20 IIBD Cn1ccnc1Sc1ncc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1Cl 427589859 UVJZVBDBOVJKQU-UHFFFAOYSA-N 443.916 4.333 5 20 IIBD O=C(O)[C@@H]1CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C[C@H]1c1ccccc1 427713037 OWGANMCTGHZEGV-LEWJYISDSA-N 445.475 4.147 5 20 IIBD O=C1NCCN1c1cc(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)ccc1Cl 429270486 GITIMJHQAPQNTN-UHFFFAOYSA-N 428.876 4.367 5 20 IIBD C[C@@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CCN1Cc1ccccc1 431328268 VPCCKBUJSQYYFK-OAHLLOKOSA-N 432.318 4.094 5 20 IIBD COc1ccc(C(=O)C2CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)CC2)cc1 431637884 FABWCNMIRCQENS-UHFFFAOYSA-N 447.285 4.101 5 20 IIBD O=C1CCc2cc(Cl)c(NS(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])cc21 432079270 MMLARRHEPFIKSK-UHFFFAOYSA-N 435.672 4.485 5 20 IIBD C[C@H](c1ccccc1)[C@H](NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C(N)=O 433169920 ZBCSWWYLSDZUFT-VFNWGFHPSA-N 434.452 4.166 5 20 IIBD Cc1c(NC(=O)NCC2(CO)CC(c3ccccc3)C2)cc(Br)cc1[N+](=O)[O-] 435322335 BTTZCLAIALEEOC-UHFFFAOYSA-N 448.317 4.344 5 20 IIBD O=C(N[C@H](Cc1ccccc1)c1cccs1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 435870290 MQSWYSVCFYKBHO-QGZVFWFLSA-N 449.488 4.024 5 20 IIBD O=C(Nc1cnn(Cc2ccccc2)c1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436082738 UNAYKDLHRUHNIO-UHFFFAOYSA-N 430.414 4.457 5 20 IIBD Cc1cc(NC(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)ccc1Oc1cccnc1 437046077 VVKOQOOEXBBPEY-UHFFFAOYSA-N 446.463 4.220 5 20 IIBD C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1nc(-c2cccc(F)c2)no1 437146820 ZSCGFTCUDCNARC-OAHLLOKOSA-N 442.450 4.221 5 20 IIBD COC(=O)C(C)(C)c1ccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 438473645 SNAWPCKFYDTMPW-UHFFFAOYSA-N 441.484 4.121 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCC[C@@H]1c1ncc(-c2ccccc2)[nH]1 439204559 YOFHMYUUKZMVEC-LJQANCHMSA-N 426.498 4.209 5 20 IIBD Cc1ccc(Oc2ccccc2)c(NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)c1 440623902 HUWRQZGGPHPPJH-UHFFFAOYSA-N 426.450 4.351 5 20 IIBD C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 444228993 WULSERTVKSWUIZ-BZNIZROVSA-N 431.297 4.052 5 20 IIBD CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1 444724836 FFVKIAXSBQTDPZ-UHFFFAOYSA-N 433.530 4.275 5 20 IIBD O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccnc(Oc2ccc(F)cc2F)c1 448112541 FCJHILGDCIVJCI-UHFFFAOYSA-N 437.362 4.703 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)N2CC3(CCC3)[C@@H]2C2CC2)cc1[N+](=O)[O-] 460981390 VLMNLUQRJDDTSX-QHCPKHFHSA-N 433.508 4.297 5 20 IIBD Cc1cccnc1-c1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1C[C@@H]1CCOC1 461557739 NLWWCBGKGOSWPH-IBGZPJMESA-N 436.516 4.008 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCOC1 461608480 YFAVBOKCQXWWCO-GOSISDBHSA-N 446.511 4.050 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@@H]2CCO[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 462695277 GLKRJCCZIVKZLN-VGOFRKELSA-N 445.541 4.180 5 20 IIBD O=C(Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1)c1ccc(F)cc1[N+](=O)[O-] 467708528 HCLQCTLQDLSIFE-UHFFFAOYSA-N 439.628 4.792 5 20 IIBD O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(Br)cc1-c1nc(C2CC2)no1 471442926 JWTJQSXVZZFYQQ-UHFFFAOYSA-N 443.257 4.466 5 20 IIBD C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 472617377 ISTCMSPQUXRYFA-APPDUMDISA-N 439.365 4.301 5 20 IIBD COc1ccccc1[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)OC(C)C 473664624 NABMLSOYNHLKFX-SFHVURJKSA-N 439.415 4.493 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 475569827 QYBJLXUXJQEQBN-QZTJIDSGSA-N 426.517 4.143 5 20 IIBD COc1cc(C(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)cc([N+](=O)[O-])c1C 479088983 GLQNSTIKWMLMEN-UHFFFAOYSA-N 435.465 4.473 5 20 IIBD Cc1nn(-c2ccc(Cl)cc2)c(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1C 479137094 QQXQVYJPEUJHIS-UHFFFAOYSA-N 434.905 4.035 5 20 IIBD C[C@H](Sc1ccc(Br)cc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)OCCO2 485274200 LPWWWQQARBJWCO-JTQLQIEISA-N 439.287 4.248 5 20 IIBD Cn1ccnc1CNC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 485631992 YEOLXQYVIPBLBK-UHFFFAOYSA-N 436.415 4.428 5 20 IIBD Cc1cccc(N2C[C@H](C(=O)N(Cc3ccccc3[N+](=O)[O-])CC(F)(F)F)CC2=O)c1C 486119329 LOSKMDGTOFGFMK-QGZVFWFLSA-N 449.429 4.156 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CCSCC2)c1 486581870 VTQHOOVZNJDSKA-UHFFFAOYSA-N 447.582 4.134 5 20 IIBD COC(=O)c1cc(NC(=O)N(C)Cc2cc(Br)cs2)c(C)c([N+](=O)[O-])c1 486865333 HJAKUJJSOWYGTC-UHFFFAOYSA-N 442.291 4.178 5 20 IIBD Cc1noc(C)c1CCNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 487070721 DAUFYPLLCGYYOH-UHFFFAOYSA-N 428.876 4.438 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)cc1[N+](=O)[O-] 488045085 CIBMWFNOQMCVPX-CQSZACIVSA-N 440.525 4.200 5 20 IIBD O=[N+]([O-])c1ccn(C2CCN(Cc3cc(Cl)ccc3OCc3cccnc3)CC2)n1 489034587 CXRPGYNAPLHXNH-UHFFFAOYSA-N 427.892 4.256 5 20 IIBD CS(=O)(=O)c1cccc([C@@H](NCCc2ccccc2[N+](=O)[O-])c2cc(F)ccc2F)c1 493279305 XIKLGWBWTIYHGK-JOCHJYFZSA-N 446.475 4.198 5 20 IIBD CC(=O)Nc1ccc(S(=O)(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)cc1Cl 494498236 ZJKAIZIMRXGMAO-UHFFFAOYSA-N 437.905 4.345 5 20 IIBD CC(C)[C@@H](NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1Cl 497991236 VELCWSAUKRRIGV-HXUWFJFHSA-N 429.904 4.253 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 499293273 HUNXZIODFYNIPP-UHFFFAOYSA-N 447.373 4.333 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@H]1CCCN1c1ncnc2sccc12 499512463 PYIZOBLZOGRMOI-CQSZACIVSA-N 437.403 4.226 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@]1(Cc2ccc(Cl)cc2)CCOC1 500337454 QQKCIVFMAXRKAS-AREMUKBSSA-N 446.934 4.326 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCOC[C@H]1c1nc2ccccc2s1 500648539 CFGVHHQHQYSAES-HNNXBMFYSA-N 448.298 4.181 5 20 IIBD CC(C)(C)n1ncnc1CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 501195971 DTPYPULWOIQTPS-UHFFFAOYSA-N 442.907 4.137 5 20 IIBD COCCOc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Nc2ccccc2)cc1 501998189 DROFTBUSDKHQGM-UHFFFAOYSA-N 443.481 4.164 5 20 IIBD CCCOc1ccc(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cn1 502547411 QCIMFIICKUAQKC-INIZCTEOSA-N 435.484 4.277 5 20 IIBD CCSc1ccc([C@@H](C)NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 504743977 ZKVSLJAXIGNRHQ-CYBMUJFWSA-N 443.554 4.478 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCCCN(C)c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 505991068 KDLDDMYDVXFMSA-SFHVURJKSA-N 433.512 4.419 5 20 IIBD CN(C[C@H]1OCCc2ccccc21)C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 506302289 SZUDDSLDDUVPNZ-QGZVFWFLSA-N 440.443 4.478 5 20 IIBD Cc1sc(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)nc1-c1ccc(Cl)cc1 507885997 GKXOHRSUZLFBKO-UHFFFAOYSA-N 445.884 4.381 5 20 IIBD O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(Br)cc1Br 508142297 KGZUQJRMSOYFKN-UHFFFAOYSA-N 440.051 4.248 5 20 IIBD CN(Cc1cccs1)C(=O)COc1c([N+](=O)[O-])cnc2ccc(Br)cc12 508167251 WXPGSIHMTJECAA-UHFFFAOYSA-N 436.287 4.004 5 20 IIBD COc1ccc(CN2CCC[C@@H](c3nc(C)no3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 509347727 CPZRZPZZYRIBMG-LJQANCHMSA-N 438.484 4.253 5 20 IIBD Cc1cc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2I)c(C)s1 511287519 SDTBVLFBYXSASV-SECBINFHSA-N 430.267 4.369 5 20 IIBD Cc1cc(C(=O)Nc2cc(Br)cnc2OCC(F)(F)F)ccc1[N+](=O)[O-] 513427800 XJUDRVRFXHXFFS-UHFFFAOYSA-N 434.168 4.254 5 20 IIBD COc1ccc(CNC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)cc1[N+](=O)[O-] 515728853 FWUYUUYVUYARSZ-UHFFFAOYSA-N 434.374 4.046 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1ccc(CCN2CCCCC2)cc1 515736692 PXGJWJVZKHTBIB-KRWDZBQOSA-N 426.517 4.071 5 20 IIBD O=C(Nc1nc(Sc2ccccc2)ns1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 520310497 YRCXATPJENBACJ-UHFFFAOYSA-N 427.511 4.450 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCCc1ccc2ccccc2n1 520771545 ORLQYZOWGBULSR-UHFFFAOYSA-N 432.402 4.323 5 20 IIBD CC(C)(C)c1nc2cc(NC(=O)CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])ccc2o1 520818162 WKNAEHCKDSPEEG-UHFFFAOYSA-N 430.848 4.055 5 20 IIBD COc1ccc(CNC(=O)NCC(C)(C)c2cccc(Br)c2)cc1[N+](=O)[O-] 522351851 DNBUXWIDDFVQMW-UHFFFAOYSA-N 436.306 4.143 5 20 IIBD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc21 523324578 MKKPOALIKOJFCM-UHFFFAOYSA-N 428.876 4.324 5 20 IIBD CCOC(=O)c1cc(S(=O)(=O)N(CC)Cc2ccc(Cl)s2)cc([N+](=O)[O-])c1C 523872003 SIWKYXUVNDDOLT-UHFFFAOYSA-N 446.934 4.006 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@H](c1ccccc1)N1CCc2sccc2C1 524337695 UFEQPIONMPGVKC-OAQYLSRUSA-N 436.537 4.255 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(N2CCOCC2)c1 524392584 QYFQEJJFXBVVDN-UHFFFAOYSA-N 441.431 4.181 5 20 IIBD CN1C(=O)COc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)ccc21 533208966 LJXGVXHELPPTTC-UHFFFAOYSA-N 441.509 4.485 5 20 IIBD CN1CCC(N(C)[C@H]2CCCC[C@H]2N(C)C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 534361468 ZONWTAIXLJGMPT-FCHUYYIVSA-N 444.620 4.302 5 20 IIBD CN1CCC(N2CCC(CCN(C)Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)CC1 537621384 MIUFSHWKDFGQQE-UHFFFAOYSA-N 440.588 4.483 5 20 IIBD CCCN1C(=O)CCc2cc(NC(=O)CSCc3ccc(OC)c([N+](=O)[O-])c3)ccc21 538052320 RRCGOWKYWAWLMR-UHFFFAOYSA-N 443.525 4.165 5 20 IIBD O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccc(OC(F)F)c(Br)c3)C2)nc1 538283410 VAMPLVITABYRQD-LBPRGKRZSA-N 443.248 4.040 5 20 IIBD C[C@H](NC(=O)N1CCCC[C@H]1CNC(=O)Nc1ccccc1)c1cccc([N+](=O)[O-])c1 542088616 FITAJQVDFPPABS-JXFKEZNVSA-N 425.489 4.042 5 20 IIBD CCn1c(SC[C@@H](O)COc2ccccc2[N+](=O)[O-])nnc1-c1cccc(Cl)c1 543118036 BWEIESLEJKLVAS-HNNXBMFYSA-N 434.905 4.059 5 20 IIBD CCOc1cc(C(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OC 543494364 FUKMGDHFQOZZCU-QFBILLFUSA-N 432.448 4.134 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F 544413493 CYUVWWVERJORCP-PZROIBLQSA-N 439.281 4.492 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC=C(c2cccc(Br)c2)CC1 545174954 XFGHSAHKDBSUIZ-UHFFFAOYSA-N 430.302 4.394 5 20 IIBD CC(C)(c1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(C(=O)NCc3ccco3)c2)no1 546275647 BVLUCHKIKBWVKU-UHFFFAOYSA-N 432.436 4.494 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2ccc(NS(=O)(=O)c3ccccc3)cc2)n1 546398544 KUJFLUJVGRBUKA-UHFFFAOYSA-N 436.449 4.421 5 20 IIBD Cc1ccc(CN2CC[C@@H](CN(C)C(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)C2)s1 552001943 IHTNJKKMBOSAPB-IRXDYDNUSA-N 433.599 4.426 5 20 IIBD CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])[C@H]2C1 558319464 KLLUBYXPAHIAGA-WDSOQIARSA-N 439.537 4.123 5 20 IIBD C[C@H](C(=O)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 562397739 YULJBHMYYOKZOX-IFXJQAMLSA-N 449.429 4.197 5 20 IIBD CCN(CC)C(=O)CCC1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 564195464 JFIQSLWEUAXOQY-UHFFFAOYSA-N 441.981 4.228 5 20 IIBD COC(=O)c1ccc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c(OCC(F)(F)F)c1 568342720 MQRJVYBFRSCCJU-LLVKDONJSA-N 426.347 4.065 5 20 IIBD CC[C@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 577491575 SXTCOODHRHGGAW-HNNXBMFYSA-N 442.390 4.434 5 20 IIBD Cc1cc(C)c(NC(=O)C[S@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c(C)c1 577642468 HRGUTXQRNBDFNM-SSEXGKCCSA-N 427.482 4.062 5 20 IIBD C[C@H]1CN(Cc2cc(I)cc([N+](=O)[O-])c2)C[C@H](c2ccsc2)O1 577920364 NUUGOCHVROLUSW-MEDUHNTESA-N 444.294 4.223 5 20 IIBD COCC[C@@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 579867450 LYQVZORWUNBXBJ-GOSISDBHSA-N 447.340 4.141 5 20 IIBD C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 580789405 UDUITGPYWUHTHI-SGTLLEGYSA-N 426.300 4.332 5 20 IIBD COc1cc(C(=O)Nc2nc(CC(F)(F)F)cs2)c([N+](=O)[O-])cc1OC(F)F 582538674 YGDFPOXWVFQFRH-UHFFFAOYSA-N 427.307 4.018 5 20 IIBD CN(CC(=O)NCc1ccccc1)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 584379027 IHAACCWVYLFWMY-UHFFFAOYSA-N 434.452 4.167 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3ccccc3OCc3c(C)noc3C)n2)c1 589148456 ZYOCNGRQIKOTOP-UHFFFAOYSA-N 436.424 4.428 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)C1CC(c2ccc(F)cc2)C1)c1ccccc1[N+](=O)[O-] 590060655 OOHHIRSHDAMYIR-UHYCVJNDSA-N 428.460 4.427 5 20 IIBD COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)o2)cc1OC 597292786 VXWLICWDSDNYCI-GFCCVEGCSA-N 444.469 4.090 5 20 IIBD Cc1ccc(C(C)C)c(Oc2ccc([C@H]3NC(=O)[C@@H]4CSCCN34)cc2[N+](=O)[O-])c1 602755732 JBFKACACXUTKIH-RXVVDRJESA-N 427.526 4.365 5 20 IIBD COc1ccc(CSCC(=O)Nc2cccc(C)c2C(=O)N2CCCC2)cc1[N+](=O)[O-] 603756553 VWEYEGNKDQBCDE-UHFFFAOYSA-N 443.525 4.020 5 20 IIBD C[C@H]1Cc2ccccc2N1C1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 603919834 AOPSEWQHSUYWJH-SFHVURJKSA-N 434.540 4.251 5 20 IIBD O=C(c1cc(N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1[N+](=O)[O-])N1CCCC1 604270905 YCPXIOLOHJFVNS-VXGBXAGGSA-N 439.356 4.398 5 20 IIBD COCCCN1CCC(Nc2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])CC1 608974185 YGUJMKOJQNUCDZ-UHFFFAOYSA-N 426.517 4.068 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CC(=O)N1CCCCC1)c1ccccc1 609507125 GLXNQNFNVMDVJB-KRWDZBQOSA-N 427.526 4.121 5 20 IIBD C[C@@H](NC1(CNC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)CCCC1)c1ccccc1 609549699 GWVKPRVHTXKKHC-MRXNPFEDSA-N 434.496 4.242 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSCc1cc(Cl)c2c(c1)OCCO2 609768674 HKDHIZQDXQHALM-UHFFFAOYSA-N 436.873 4.251 5 20 IIBD COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C 610031061 RDJUDUYHHKUVDR-SFHVURJKSA-N 433.892 4.407 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCc2c(F)cc(Br)cc2C1 610727920 JHBNRXXAFVWLAH-UHFFFAOYSA-N 432.249 4.036 5 20 IIBD COC[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1cccc(C(F)(F)F)c1 611396974 UXTFPDVCBOKASF-GOSISDBHSA-N 425.407 4.228 5 20 IIBD CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CSc1ccc([N+](=O)[O-])cc1 612729147 KADOFTBGKYCTRG-UHFFFAOYSA-N 442.324 4.481 5 20 IIBD CCCCN(C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)[C@H](C)c1ccc(C)o1 618080420 QRABDFRUMFOJMU-OAHLLOKOSA-N 427.457 4.153 5 20 IIBD Cc1nc(-c2ccccc2)sc1COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 725918041 KSDOYXQNOHOMCZ-UHFFFAOYSA-N 439.493 4.220 5 20 IIBD Cc1nn(CCC(=O)OCc2c(Cl)nc(Cl)n2-c2ccccc2)c(C)c1[N+](=O)[O-] 726501900 CVLADPCDVDSISQ-UHFFFAOYSA-N 438.271 4.034 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)c1csc(-c2ccc3c(c2)OCO3)n1 726734574 LHKQDPHIBUGHCT-UHFFFAOYSA-N 428.422 4.203 5 20 IIBD O=C1CN(CNC2(c3ccc(Cl)cc3)CCCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 727167227 VXKNFLKPIDGTPA-UHFFFAOYSA-N 428.876 4.033 5 20 IIBD O=C(COC(=O)c1cnc(Cc2ccc(F)cc2)s1)Nc1ccc(Cl)cc1[N+](=O)[O-] 727216155 GCBXMTHXONHQLP-UHFFFAOYSA-N 449.847 4.230 5 20 IIBD Cc1ncc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)cn1 728478528 DKDFXJRXNGUVAF-UHFFFAOYSA-N 431.496 4.405 5 20 IIBD Cc1c(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)nnn1-c1cccc([N+](=O)[O-])c1 729403890 MBWUIXHORARKDK-UHFFFAOYSA-N 438.444 4.083 5 20 IIBD COc1c(C)ccc(NC(=O)c2ccc(I)c([N+](=O)[O-])c2)c1C 730472167 ASXKTUSMLOFLMO-UHFFFAOYSA-N 426.210 4.077 5 20 IIBD O=C(OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1csc(-c2ccccc2)n1 730702867 FLIZONIYUSLTHG-INIZCTEOSA-N 437.477 4.180 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 731640040 XYKJYHUPDUNCCD-IBGZPJMESA-N 437.452 4.030 5 20 IIBD CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)c1Cl 731965966 CWMPCKCJCCMTCL-UHFFFAOYSA-N 439.223 4.226 5 20 IIBD CC(C)(C)CN(CC(F)(F)F)C(=O)c1cc([N+](=O)[O-])ccc1I 731991216 VBALZNYNBGSDRI-UHFFFAOYSA-N 444.191 4.250 5 20 IIBD Cc1cc(C)n(-c2ccc(C(=O)O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2F)n1 732687384 DHBIHANMYKXGMO-HNNXBMFYSA-N 440.431 4.029 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1 733252158 GEXBOHAHCJNHSS-UHFFFAOYSA-N 441.252 4.285 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H](c1ccccc1)C1CCOCC1 734349492 FJFQAYQBBMTMCD-AREMUKBSSA-N 426.516 4.439 5 20 IIBD CCCCC[C@@H](NC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccccc1 737183729 VNHUUOYPHARLBT-QGZVFWFLSA-N 441.484 4.132 5 20 IIBD CC(C)c1ccc([C@@H](C)CC(=O)OCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 738743720 SBKRUROYFGJXED-AWEZNQCLSA-N 428.441 4.122 5 20 IIBD CCN(CC1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1)C(=O)OC(C)(C)C 744708280 IBEQBWYWBBGQOV-UHFFFAOYSA-N 437.562 4.426 5 20 IIBD Cc1sc(NC(=O)COC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c(C)c1C 744762721 RSKTUGFQWWPVSM-UHFFFAOYSA-N 446.403 4.318 5 20 IIBD C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 745565649 VBYUVNHVQMJHDK-FDZNKFEOSA-N 428.407 4.100 5 20 IIBD C[C@H](C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Br)s1 745642003 YCSVLCLGUWLQJC-QMMMGPOBSA-N 447.694 4.358 5 20 IIBD CCc1ccc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-] 747010737 DEWLDLZTCVMHGD-UHFFFAOYSA-N 431.754 4.020 5 20 IIBD C[C@@H]1CCc2ccccc2N1C(=O)COC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 747962094 KUNMEGHAJPUYGV-CQSZACIVSA-N 437.477 4.243 5 20 IIBD COc1cc(CC(=O)Oc2ccc(Cc3ccccc3)cc2[N+](=O)[O-])cc(OC)c1OC 749061812 DTCOMHZAPNEMAE-UHFFFAOYSA-N 437.448 4.360 5 20 IIBD COc1cc2c(cc1OC)[C@H](c1cccs1)N(C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 749638800 JVQJIYBEPCTXRF-WMZHIEFXSA-N 440.521 4.355 5 20 IIBD Cc1cc(F)cc(C(=O)O[C@H](C)C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1[N+](=O)[O-] 752558624 WCFUNKSPJAOKDZ-CYBMUJFWSA-N 430.432 4.455 5 20 IIBD COc1cc(COC(=O)Cc2ccc([N+](=O)[O-])cc2Br)ccc1OC(F)F 755153802 GXVWSHVJUCPHSF-UHFFFAOYSA-N 446.200 4.253 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H](c1ccccc1)N1CCSCC1 760520231 CAUKBWINCWAPFC-FQEVSTJZSA-N 439.493 4.083 5 20 IIBD CC(C)NC(=O)Nc1ccc(-c2noc([C@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)n2)cc1 761732475 HJJZLOJINHLMFH-GOSISDBHSA-N 436.428 4.040 5 20 IIBD O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)OCc1nc2cc([N+](=O)[O-])ccc2o1 761957279 JDHRCIOCDDWXOM-UHFFFAOYSA-N 428.788 4.115 5 20 IIBD O=[N+]([O-])c1ccccc1CN(Cn1ncc(Br)c1C1CC1)CC(F)(F)F 764888124 FLQHUEIARWOPOT-UHFFFAOYSA-N 433.228 4.453 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(N[C@H]3CCN(Cc4ccc(C(F)(F)F)cc4)C3)CC2)cc1 765998453 LLYJRWQPWDXFLB-FQEVSTJZSA-N 448.489 4.447 5 20 IIBD Cc1c(-c2cc(COC(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)on2)cnn1C 767451761 PODWIWBBYXLAMW-UHFFFAOYSA-N 447.451 4.261 5 20 IIBD CCOc1c(Cl)cc(NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cc1Cl 767631708 HZGKIDUGLNIIHR-UHFFFAOYSA-N 428.228 4.080 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCSC[C@H]2c2nccs2)c1=S 769799967 AXTCYNBSMFHCON-HNNXBMFYSA-N 448.599 4.213 5 20 IIBD COc1cc(C(=O)N2CCC(c3ccc(N(C)C)cc3)CC2)c([N+](=O)[O-])cc1OC(F)F 773412182 CEGOOIGNMKHKKQ-UHFFFAOYSA-N 449.454 4.291 5 20 IIBD O=C(OCc1cc(-c2ccc(Cl)cc2)no1)c1cccc([N+](=O)[O-])c1N1CCOCC1 776447621 LHMFTRVJGNPNQF-UHFFFAOYSA-N 443.843 4.097 5 20 IIBD CSc1cccc(C(=O)NC[C@H](O)c2cccc(OCc3ccccc3)c2)c1[N+](=O)[O-] 777161698 DUIABDWMPIEIPV-FQEVSTJZSA-N 438.505 4.359 5 20 IIBD O=C1OCCN1c1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] 777590222 CSPKMECDZMGASX-UHFFFAOYSA-N 439.449 4.019 5 20 IIBD COc1cc(COC(=O)Cc2cccc3cccnc23)c([N+](=O)[O-])cc1OCC(F)F 780062039 VUIZOPOJTZUHGG-UHFFFAOYSA-N 432.379 4.081 5 20 IIBD COc1cc(C(=O)OCc2csc(C3CC3)n2)c([N+](=O)[O-])cc1OCc1cscn1 783171922 IFDKWRNMRGFADP-UHFFFAOYSA-N 447.494 4.330 5 20 IIBD O=C(CN1CCC(COc2ccc(Cl)nc2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl 789312998 WYQYFCRXAGYLSA-UHFFFAOYSA-N 439.299 4.026 5 20 IIBD CC(C)C[C@@H]1C[C@H](NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCO1 790812945 ITTSGSBGFMGZIF-ZIAGYGMSSA-N 440.338 4.019 5 20 IIBD Cc1sc(NC(=O)CN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c(C)c1C 792913561 MTMBRTOPSBGZLY-UHFFFAOYSA-N 438.347 4.341 5 20 IIBD O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCC(Oc3ccccc3Cl)CC2)c1 795897159 GCEDSWORSIEZOL-UHFFFAOYSA-N 449.287 4.273 5 20 IIBD O=C(C[C@H]1CCCC[C@@H]1O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 796147259 RCCKLKRPPGOYKO-JJXUHFIVSA-N 446.887 4.412 5 20 IIBD COc1ccc2nc(Cl)ccc2c1S(=O)(=O)Nc1c(F)ccc([N+](=O)[O-])c1C 800052384 UEWAWWPDCNVGJE-UHFFFAOYSA-N 425.825 4.053 5 20 IIBD Cc1cc(Cl)ncc1NC(=O)c1cc([N+](=O)[O-])cc(I)c1C 800919257 HNELIPHHKWYWBJ-UHFFFAOYSA-N 431.617 4.117 5 20 IIBD O=C(Nc1cccc2cc(Br)cnc12)c1cc([N+](=O)[O-])c2nsnc2c1 804267352 NXVPLLWUTHHGGQ-UHFFFAOYSA-N 430.243 4.163 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cccc3cc(Br)cnc23)c(Cl)c1 805124362 KJWZTTAJYIGWNT-UHFFFAOYSA-N 443.662 4.327 5 20 IIBD CC(C)(CNC(=O)c1cccc([N+](=O)[O-])c1Br)Oc1cc(F)cc(F)c1 807667140 RYBHWBKTADSDPU-UHFFFAOYSA-N 429.217 4.223 5 20 IIBD COCc1ccc(-c2noc(CN(C)c3cc(Br)ccc3[N+](=O)[O-])n2)cc1 809325047 GBDYPNKPDGWFEL-UHFFFAOYSA-N 433.262 4.190 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2-c2nc(-c3cnn(C)c3Br)no2)CC1 809482031 UBEGTESCHLEFBS-UHFFFAOYSA-N 447.293 4.044 5 20 IIBD O=C(Cc1cncn1Cc1ccccc1)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 810656639 LCBAHUPOSCDNHJ-XMMPIXPASA-N 428.448 4.110 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ccc(N2CCCCC2=O)cc1 811009954 UFFHJEMRFGQDND-HZPDHXFCSA-N 427.526 4.470 5 20 IIBD COc1ccc(OC)c(NC(=O)[C@H](C)OC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 811373721 LFXLAAZUNAYPNV-VIFPVBQESA-N 443.239 4.103 5 20 IIBD CSc1cccc(C(=O)N2CCC([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1[N+](=O)[O-] 812352111 ZDLQQIVHNDKYPP-MRXNPFEDSA-N 449.573 4.426 5 20 IIBD CN(C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@H]1CCCC[C@H]1C(F)(F)F 813031475 BAMJXTUJUAZKSN-CABCVRRESA-N 429.439 4.410 5 20 IIBD O=[N+]([O-])c1cc(COc2ccc(Br)cc2CCO)ccc1Br 814265843 RLCXKUFIGVOXFF-UHFFFAOYSA-N 431.080 4.234 5 20 IIBD CC(C)[C@@H](NC(=O)c1cccs1)C(=O)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F 815183464 WEGMGIUCNBOLMJ-OAHLLOKOSA-N 430.404 4.173 5 20 IIBD CN(C)c1ccc(N2CCC(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)CC2)cc1 815699913 OEFNXCUHYJWMBL-UHFFFAOYSA-N 436.434 4.078 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@H](c2nc(-c3cccc(OCc4ccccc4)n3)no2)C1 815704099 WHAUZNBVQYPUNN-FQEVSTJZSA-N 443.419 4.485 5 20 IIBD CCc1nocc1CN(C)C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 818557534 FIVIMPBCDPUVMI-UHFFFAOYSA-N 442.859 4.323 5 20 IIBD CN(C)C(=O)OC1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 818674533 SXGZUWDUQUHZPC-UHFFFAOYSA-N 447.875 4.343 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)Oc2ccc(C)cc2[N+](=O)[O-])CC1 914776937 AJUYBSWDMUUWEB-UHFFFAOYSA-N 432.860 4.023 5 20 IIBD C[C@H](OC(=O)c1ccc2cc[nH]c2c1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 915491396 MZRATCQZAXOUSN-LBPRGKRZSA-N 436.449 4.384 5 20 IIBD C[C@@H](OC(=O)CSc1ccccc1[N+](=O)[O-])C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 916486698 HMWAOYSKISPCDM-CQSZACIVSA-N 444.509 4.486 5 20 IIBD Cc1sc(NC(=O)CCOc2ccccc2[N+](=O)[O-])c(C(N)=O)c1-c1ccccc1 917642185 PBDUMTACDSOEEG-UHFFFAOYSA-N 425.466 4.138 5 20 IIBD C[C@@H](OC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccccc1[N+](=O)[O-] 920267192 HVCYSPABWRDHDP-OAHLLOKOSA-N 426.450 4.314 5 20 IIBD COC(=O)[C@@H](OC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccccc1 920548837 ULVJDXFCXZJGNM-VFNWGFHPSA-N 435.436 4.234 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)c1 920707265 XKJBWLJDEBSHCJ-HNNXBMFYSA-N 426.425 4.091 5 20 IIBD CC1CCN(c2ccc(-c3nnc(C4CCN(c5ncccn5)CC4)o3)cc2[N+](=O)[O-])CC1 1118894823 ZSUZHHYLYWBPBL-UHFFFAOYSA-N 449.515 4.055 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H](c2nc3ccccc3[nH]2)C1 1254328929 RXCYKWJPWMMJEB-HNNXBMFYSA-N 427.892 4.256 5 20 IIBD Cn1cnnc1Sc1ccc(-c2nnc(COc3ccc(Cl)cc3)o2)cc1[N+](=O)[O-] 1257694105 NAQNLIBBMGSTJM-UHFFFAOYSA-N 444.860 4.157 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1nnc(Cn2cnc3ccccc32)o1 1257754060 WLYPMYZXUQQTAF-UHFFFAOYSA-N 432.362 4.049 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H](c2nc3ccccc3[nH]2)C1 1318556852 XMVJAHXJUYLFCQ-AWEZNQCLSA-N 428.876 4.300 5 20 IIBD CC(C)(F)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])CCC2)cc1 1787943197 IUBQSONDNPKQRV-MDWZMJQESA-N 425.460 4.490 5 20 IIBD Cc1cc(C)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)[nH]n2)c1 1820540413 HQUIGJJVELTPQJ-KRWDZBQOSA-N 437.456 4.147 5 20 IIBD CC(C)(C)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 1826337064 MZYFUWOXGXQZSF-NRFANRHFSA-N 447.551 4.332 5 20 IIBD Cc1cc(CCCC(=O)N2CCCC23CN(C(=O)C2(C)CCCC2)C3)c([N+](=O)[O-])cc1F 1841506061 ALJYYKZFANNUNA-UHFFFAOYSA-N 445.535 4.149 5 20 IIBD C[C@@H](OC(=O)CCC(=O)c1ccc(Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 3402732 MZXBOUHSTGBYEM-LLVKDONJSA-N 439.251 4.435 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1coc(-c2cccs2)n1 10881060 FNFZVHJHGYANJP-UHFFFAOYSA-N 440.403 4.449 5 20 IIBD C[C@H](Sc1nnc(N2CCCCC2)n1C1CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 11380207 RYOIWIQSLKKEMV-ZDUSSCGKSA-N 441.517 4.415 5 20 IIBD CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc([N+](=O)[O-])cc1Cl 14571111 NLBOXFSNWPWSHZ-UHFFFAOYSA-N 435.267 4.191 5 20 IIBD Cc1cccc(NS(=O)(=O)c2cc(NC(=O)c3ccc([N+](=O)[O-])s3)ccc2C)c1 15950394 WGLUTMSYSUBMFA-UHFFFAOYSA-N 431.495 4.326 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1csc(-c2cccc(Cl)c2)n1 17980641 VTEXHLRAGHCQFY-UHFFFAOYSA-N 447.856 4.176 5 20 IIBD C[C@H](OC(=O)CSc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 20991385 HZCBFKLSYMRPRE-NSHDSACASA-N 428.388 4.276 5 20 IIBD Cc1nn(-c2ccccc2)c(Cl)c1C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 21231930 GWXUZFSOTXQUSU-UHFFFAOYSA-N 439.815 4.149 5 20 IIBD C[C@@H](OC(=O)CCSc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 21679951 GTHRQOLMORFVOH-LLVKDONJSA-N 426.853 4.440 5 20 IIBD Cc1nc(-c2cccs2)c(CC(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)s1 22104259 NIJYSCZEMIDBNZ-NSHDSACASA-N 431.495 4.201 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Sc1nnc(-c2ccc(F)cc2)o1 26757514 RVWSNKUIABENKB-UHFFFAOYSA-N 449.363 4.229 5 20 IIBD COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)c([N+](=O)[O-])cc1OC 29769260 RHCBPBLEBJSTFF-UHFFFAOYSA-N 436.346 4.069 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H](c2nc3ccccc3s2)C1 32697530 GMEQYBJAHLSQCD-HNNXBMFYSA-N 433.493 4.410 5 20 IIBD COc1cc(C(=O)Nc2nc3c(Br)cccc3s2)c([N+](=O)[O-])cc1OC 36633255 LBXBPCFBAFHDCW-UHFFFAOYSA-N 438.259 4.237 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(OCC(F)(F)F)nc1 46893687 OUVSJTTURTTZSV-UHFFFAOYSA-N 427.382 4.130 5 20 IIBD COCc1ccccc1NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 58559486 IZXRCQRCWSEFGN-UHFFFAOYSA-N 438.406 4.114 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(c2c[nH]c3ncccc23)CC1 64736255 BVKHSMIXFDYJGN-CYBMUJFWSA-N 428.876 4.298 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCN(Cc3cccc4ccccc34)CC2)cc1OC 71804486 RJXJCMOQZKWTMN-UHFFFAOYSA-N 449.507 4.113 5 20 IIBD CCOc1cc(C(=O)N(Cc2ccc(OC)cc2)[C@H](C)C2CC2)c([N+](=O)[O-])cc1OC 105730117 JEJMPCRYKHWAOR-OAHLLOKOSA-N 428.485 4.452 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2ccnc(N3CCCC3)c2)cc1 106135620 JDYQLDQRFBCQKS-UHFFFAOYSA-N 448.479 4.321 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CCCCC[C@H]2c2ccncc2)cc1[N+](=O)[O-] 107809283 DFZBPBDOJHYLCL-KRWDZBQOSA-N 438.513 4.027 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N(Cc1ccc(F)cc1)C1CCCCC1 115150018 QBBOIEFKERUGCD-UHFFFAOYSA-N 427.432 4.003 5 20 IIBD CC(C)NS(=O)(=O)Cc1ccccc1CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 217115399 CSIWGWPUCCPWFD-UHFFFAOYSA-N 431.436 4.054 5 20 IIBD COc1ccc(C(=O)NCCNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 237448267 LDDYXNQJEXOIDJ-UHFFFAOYSA-N 439.443 4.054 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@H](c3ccccc3)c3ccncc3)cc2)c(C)c1[N+](=O)[O-] 247994799 CNMIYJAMDVXXHA-HSZRJFAPSA-N 441.491 4.371 5 20 IIBD Cc1occc1C(=O)Nc1cc(N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)ccc1F 261407250 QEDXIPTXOFLGML-IBGZPJMESA-N 438.415 4.105 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1Oc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl 301104090 PFNQWLJWQPSFHG-UHFFFAOYSA-N 426.738 4.309 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NC[C@H]1CCCO[C@H]1c1ccccc1 301267775 UQEUBYICFCDVST-KDOFPFPSSA-N 426.441 4.171 5 20 IIBD O=C(c1cc(N[C@H]2CCCN(c3ccccc3Cl)C2=O)ccc1[N+](=O)[O-])N1CCCC1 301343537 JNBSKQYQDLXFOS-SFHVURJKSA-N 442.903 4.092 5 20 IIBD O=[N+]([O-])c1cc(Br)cnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 302170011 LWWCCJKWZXFUOB-CQSZACIVSA-N 432.196 4.349 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)C(c1ccccc1)c1ccccc1 303145321 LOKOFNKYJTZUDT-QZTJIDSGSA-N 431.492 4.050 5 20 IIBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ncc(Cc2ccc(C)c(C)c2)s1 409498821 GATRDVPPIPWOJW-UHFFFAOYSA-N 433.511 4.068 5 20 IIBD Cc1ccc2oc(C(=O)N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)cc2n1 409514046 PDLLYFAJTXMHCQ-UHFFFAOYSA-N 434.374 4.026 5 20 IIBD O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 409582066 NYBZZDHHMDOVNP-KXBFYZLASA-N 438.402 4.434 5 20 IIBD Cc1c(NC(=O)C(=O)NCC(C)(C)C2=CCCCC2)cc(Br)cc1[N+](=O)[O-] 430350179 YZQJQPUQRCABCA-UHFFFAOYSA-N 438.322 4.247 5 20 IIBD CCC(CC)n1nccc1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 432242304 YKZDLNRYJNSXOX-UHFFFAOYSA-N 439.438 4.134 5 20 IIBD O=C(NC[C@H]1CCCN(Cc2cccs2)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437149743 UPXMVONYERUEFP-CYBMUJFWSA-N 427.448 4.317 5 20 IIBD C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccc(-n2cccn2)cc1 439223256 MWRFIWOCYWKEJK-NSHDSACASA-N 441.296 4.127 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1cccc(CCC(F)(F)F)c1 440934714 UCEORTVDXTXABC-UHFFFAOYSA-N 429.782 4.112 5 20 IIBD O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCOCC2(CCOCC2)C1 441293827 XGTZGBBCEPSCRK-UHFFFAOYSA-N 428.510 4.015 5 20 IIBD Cn1cc(-c2cccc(CNC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)c2)cn1 444290312 OODKAMRICRHXRY-UHFFFAOYSA-N 444.441 4.290 5 20 IIBD CN(Cc1nc(CC(=O)Nc2cc(Cl)cc(Cl)c2)no1)c1ccccc1[N+](=O)[O-] 445382853 FKOQOESETHEDLE-UHFFFAOYSA-N 436.255 4.102 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ncnc2c1c(C)c(C)n2Cc1ccccc1 445936921 IEPIHNFJONTRHX-UHFFFAOYSA-N 431.452 4.266 5 20 IIBD CCN(Cc1ccccc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 447019496 YSWFMGCGXNTUMG-UHFFFAOYSA-N 433.711 4.222 5 20 IIBD COc1ccc([C@@H]2CCCCCN2C(=O)COc2ccc([N+](=O)[O-])cc2C(C)=O)cc1 447790668 BSCBFAXOJBOGMY-NRFANRHFSA-N 426.469 4.329 5 20 IIBD O=C(Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 448291041 VCKMNCDSATXOKN-UHFFFAOYSA-N 431.374 4.390 5 20 IIBD CC(C)(CCC(=O)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1)c1ccccc1 460337918 XVEYZNVYSDJMGB-UHFFFAOYSA-N 435.528 4.268 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(-c3nc(CCn4nnc5ccccc54)no3)cc2[N+](=O)[O-])C1 460744391 UWDJSJLNNRWPIU-HOTGVXAUSA-N 447.499 4.115 5 20 IIBD COc1ccc(CNc2ccc(C(N)=O)c(F)c2)cc1OCc1ccc([N+](=O)[O-])cc1 461219616 RAEKADPIVKIJLR-UHFFFAOYSA-N 425.416 4.033 5 20 IIBD Cc1c(NCc2cc([N+](=O)[O-])ccc2OC(C)C)cccc1C(=O)N1CCSCC1 462244172 DETIHNNTJWKEPV-UHFFFAOYSA-N 429.542 4.492 5 20 IIBD CC[C@H](NC(=O)[C@H](CC)Cc1ccc([N+](=O)[O-])cc1)[C@H](c1ccc(C)cc1)n1cncn1 462641424 SCUGCVXJMYSJRR-OIBXWCBGSA-N 435.528 4.248 5 20 IIBD CCc1cc(=NC(=O)c2cc(COc3ccccc3F)on2)c2cc([N+](=O)[O-])ccc2[nH]1 466264407 HGTPOBWBQQOVDB-UHFFFAOYSA-N 436.399 4.086 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](c3ccccc3)C[C@@H]2C)cc1OC 466883701 HTIIURRDPZTBOI-FUHWJXTLSA-N 428.485 4.037 5 20 IIBD CC1(c2ccc(Cl)cc2)CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC1 470685074 WCTSMRPNKOJYQC-UHFFFAOYSA-N 443.931 4.279 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cc2sc(N3CCCC3)nc2s1 476538464 FCWYAJRKLKDMOU-UHFFFAOYSA-N 436.946 4.492 5 20 IIBD O=C(NCc1nc2cccnc2[nH]1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 476942658 GINKIPWJZKCTRQ-UHFFFAOYSA-N 436.859 4.062 5 20 IIBD COc1ccc(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1I 477726334 TUXOISGYHKFLFB-LLVKDONJSA-N 440.237 4.007 5 20 IIBD CC[C@H](O)CCNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 479558347 OCTBFEPLNMREFR-AWEZNQCLSA-N 425.844 4.140 5 20 IIBD COc1ccc2ccccc2c1-c1cc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)on1 481123762 XSQBNNBMPVHQSY-KRWDZBQOSA-N 445.479 4.493 5 20 IIBD CCn1c(SCC(=O)N2CCC[C@H]3CCCC[C@H]32)nnc1-c1ccc([N+](=O)[O-])cc1 481352024 YKTSILOLNAKHFU-CRAIPNDOSA-N 429.546 4.147 5 20 IIBD CC[C@H](NC1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1)c1cccc([N+](=O)[O-])c1 481732707 GZRLDHAVPPYKAF-QFIPXVFZSA-N 431.558 4.098 5 20 IIBD Cc1c(CNC(=O)C(=O)Nc2ccc(OCC3CCCCC3)cc2)cccc1[N+](=O)[O-] 483825223 VKRBJFKYVPGZFC-UHFFFAOYSA-N 425.485 4.117 5 20 IIBD CC(C)(CCN1CCCCCC1)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 484410589 NVJHUCWDMZIMEU-UHFFFAOYSA-N 431.455 4.310 5 20 IIBD COC(=O)[C@@H](C)N(C(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(Br)cc1C 484821546 LNYHYSNLOGFRNS-CYBMUJFWSA-N 435.274 4.182 5 20 IIBD Cc1c(CNC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)cccc1[N+](=O)[O-] 485718950 LLZFDGJTUKTSGM-UHFFFAOYSA-N 449.850 4.287 5 20 IIBD Cc1ccc(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1NC(=O)Nc1ccccc1 487061115 XANGCHZSSVYRFX-UHFFFAOYSA-N 448.483 4.221 5 20 IIBD O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCC[C@H](c2nnc3n2CCC3)C1 487607983 MYIKUURFUYSTCJ-KRWDZBQOSA-N 449.536 4.304 5 20 IIBD O=C(Nc1ccccc1N1CCc2ccccc21)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 487873223 OFXHSGQZWWQVJK-UHFFFAOYSA-N 432.484 4.355 5 20 IIBD CC(=O)N1CCCc2cc(NC(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)ccc21 488396988 MEHGRWYTTDKOAB-UHFFFAOYSA-N 436.390 4.234 5 20 IIBD CCn1c(SCC(=O)c2ccccc2OC(F)F)nnc1-c1ccc([N+](=O)[O-])cc1 489416907 XEUCZOLEZYZOKL-UHFFFAOYSA-N 434.424 4.450 5 20 IIBD COc1cc([C@H](C)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc(OC)c1OC 489835410 IVTGDZXVAKLGAL-AWEZNQCLSA-N 429.473 4.056 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)c1 489881336 HKRWXTZBDGIBRN-UHFFFAOYSA-N 445.504 4.494 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1nc(C2CCCCC2)no1 489909341 XESBBBTVPVPBHB-ZDUSSCGKSA-N 434.518 4.255 5 20 IIBD CCc1nnc(O)c(CNc2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])c1CC 490082519 VTIVRTILAMVKGO-UHFFFAOYSA-N 435.484 4.388 5 20 IIBD O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H](Oc1cccc(Cl)c1Cl)c1ccccc1 492883734 AFOIFFPFNJHUAW-SFHVURJKSA-N 435.267 4.035 5 20 IIBD Cc1cc(C)c(S(=O)(=O)N(C)[C@H](c2ccc(Cl)cc2)c2cnccn2)cc1[N+](=O)[O-] 493936844 LTKPWMNFFKOPAQ-HXUWFJFHSA-N 446.916 4.065 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 494709796 SFANBHGFMXMILK-SFHVURJKSA-N 437.477 4.467 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCCN1Cc1c(Cl)cccc1[N+](=O)[O-] 494782694 NAAXVIDZLBXUAC-INIZCTEOSA-N 432.830 4.197 5 20 IIBD C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CCC(C(F)(F)F)CC1 494879146 QOPJLGZQHFHDAZ-NSHDSACASA-N 428.436 4.320 5 20 IIBD C[C@@H]1CCCN(Cc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3SCCO)cc2)C1 497668126 NOQLJJNMAAPYIL-MRXNPFEDSA-N 429.542 4.163 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 499213286 LNSLQUPOROUETO-UHFFFAOYSA-N 439.325 4.084 5 20 IIBD O=C(Nc1cc(Cl)ccc1C(F)(F)F)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 500254548 ISGKNCJNMUSKTA-UHFFFAOYSA-N 441.793 4.397 5 20 IIBD CCCN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@@H](C)CC(=O)Nc1ccccc1 500647575 RNAGYNMTZNNAKZ-KRWDZBQOSA-N 435.484 4.050 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@H]1c1c(C)nn(-c2ccccc2F)c1C 501173358 ZHQZJHZKFYFPFU-OAQYLSRUSA-N 438.459 4.059 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)cc1SC 502276914 APRKHFAQAAKMKX-CYBMUJFWSA-N 436.461 4.275 5 20 IIBD COc1ccc([C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)c2ccccc2OC)cc1 502403336 DIAFTFGDQCWNEG-OAQYLSRUSA-N 432.436 4.008 5 20 IIBD Cn1cnnc1Sc1ccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1Cl 503743161 WPYRTMKLUZOSPB-UHFFFAOYSA-N 428.861 4.262 5 20 IIBD O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1Cl 504517550 BNHRTKSKOXCJIB-UHFFFAOYSA-N 447.904 4.034 5 20 IIBD Cc1ccc(Oc2ccccc2)c(NC(=O)C(=O)N(C)CCc2ccccc2[N+](=O)[O-])c1 506756341 LFZKOMXPKSEKIZ-UHFFFAOYSA-N 433.464 4.335 5 20 IIBD CCCCCNC(=O)C1CCN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 506925769 HDWPZEXDHSZXMK-UHFFFAOYSA-N 429.517 4.382 5 20 IIBD COc1ccc(-c2nnc(SCCC(=O)Nc3ccc([N+](=O)[O-])cc3C)o2)cc1OC 509056569 KIWVHMZEDOEXLC-UHFFFAOYSA-N 444.469 4.091 5 20 IIBD C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)S(=O)(=O)c1cccc([N+](=O)[O-])c1 509146981 OSNIGYDKDARJAR-SECBINFHSA-N 436.795 4.068 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)N1CCC[C@H]1c1cccc(Cl)c1 511571425 GUCMXVYLEXFGGQ-HNNXBMFYSA-N 439.802 4.152 5 20 IIBD O=C(Nc1ccc(Br)c2cccnc12)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 511945957 FKXZHPHPPBIGIV-UHFFFAOYSA-N 438.241 4.344 5 20 IIBD COC(=O)c1cc(C(=O)N[C@H](c2ccc(F)cc2)c2ccc(OC)cc2)cc([N+](=O)[O-])c1 512169931 ZFJSLTFSFWQDQB-OAQYLSRUSA-N 438.411 4.049 5 20 IIBD COCCCn1c(SCc2ccc(OC)c([N+](=O)[O-])c2)nc2cc(Cl)ccc2c1=O 514563323 NJVHDHKTIIYCQT-UHFFFAOYSA-N 449.916 4.296 5 20 IIBD Cc1nc(CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(F)c(F)c2)cs1 520110342 NSEVZWJDRPBGGS-UHFFFAOYSA-N 425.438 4.033 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccnn3CCc3ccccc3)cc2)c(C)c1[N+](=O)[O-] 522213533 YJYWXVWZKTZMQX-UHFFFAOYSA-N 444.495 4.148 5 20 IIBD C[C@H](NC(=O)c1n[nH]c2ccccc12)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 522671505 PFZPAYRNBBZNTM-AWEZNQCLSA-N 445.435 4.020 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N(Cc2ccc(F)cc2)CC2CC2)c1 523733901 WRQSXYLTAONLOK-UHFFFAOYSA-N 443.294 4.097 5 20 IIBD O=C(NCc1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 523968848 NHYWBAPHOMBWPE-UHFFFAOYSA-N 425.828 4.295 5 20 IIBD CN(CCc1ccc(Br)cc1)C(=O)c1ccc([N+](=O)[O-])cc1Br 524252989 PQFRXYIBKNCGPV-UHFFFAOYSA-N 442.107 4.435 5 20 IIBD CC(C)Oc1ccc(CCNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 525242362 AXHRSDBYADPPGK-UHFFFAOYSA-N 427.501 4.178 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)c1nccn2ccnc12 525246720 KWVVPZYWYPKNBT-UHFFFAOYSA-N 441.806 4.152 5 20 IIBD O=C(C[C@@H]1CCCCCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccco1 532460321 TVSKNGOAYFFZAM-IBGZPJMESA-N 439.512 4.448 5 20 IIBD CCOC(=O)c1cc2cc(NC(=O)COc3ccc([N+](=O)[O-])c(OC)c3)ccc2s1 532825639 OMJANHJCPWXTJK-UHFFFAOYSA-N 430.438 4.012 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H](c2nc3ccccc3s2)C1 533012464 UQFDEQYJXJXVPH-OAHLLOKOSA-N 440.525 4.421 5 20 IIBD C[C@]1(c2cccc3ccccc23)NC(=O)N(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1=O 534032784 LKFUKGAZBLBKRP-XMMPIXPASA-N 442.431 4.370 5 20 IIBD CC(C)(COc1ncccc1C(F)(F)F)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 534728680 NPDYNQZDBMMOBH-UHFFFAOYSA-N 436.390 4.006 5 20 IIBD Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 535188579 AGUBYZIEBAFXFO-FQEVSTJZSA-N 447.539 4.161 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2c(Cl)cccc21 536487365 AONPLOSWDIMLRQ-KRWDZBQOSA-N 434.901 4.321 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 536686499 AGUGXVTUUVURBE-HOTGVXAUSA-N 425.485 4.022 5 20 IIBD CC[C@@](C)(COc1ncccc1Cl)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 536731566 PBHMKLVIUKCPEB-SFHVURJKSA-N 427.288 4.072 5 20 IIBD Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)n([C@H]2C[C@H]3CC[C@H]2C3)n1 537144474 STRNSWYUIXPYTC-JDFRZJQESA-N 433.306 4.405 5 20 IIBD CCOc1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] 539026808 VBVKMMADNNZPCP-FQEVSTJZSA-N 446.463 4.289 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(CCn2ccnc2)Cc2cccc(Cl)c2)c1 540687044 DLPUQCOKSHUCJM-UHFFFAOYSA-N 442.903 4.251 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c1Br 542519074 IABSRNNBKIQWRV-UHFFFAOYSA-N 445.317 4.122 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1OC 542587953 VTPKLSJXXXLTSJ-APWZRJJASA-N 432.448 4.134 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1Br 543437859 ANWOLPJLCJYAJD-UHFFFAOYSA-N 437.269 4.055 5 20 IIBD Cc1nc([C@H](N[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2)no1 543994459 OBKDBPVCCKBMCI-HXPMCKFVSA-N 429.864 4.036 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC(CCCn2ccnc2)CC1 544038968 ZMCXKBZUZVMGHR-UHFFFAOYSA-N 425.514 4.247 5 20 IIBD Cc1c([N+](=O)[O-])cn(Cc2ccc(C(=O)Nc3ccccc3)cc2)c(=O)c1Br 544080203 APGPDALNAUTJCN-UHFFFAOYSA-N 442.269 4.128 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 545251104 XJDFOVFSKRBOSS-UHFFFAOYSA-N 427.848 4.357 5 20 IIBD O=[N+]([O-])c1cccc(Oc2ccc(-c3noc(CSc4nnnn4C4CC4)n3)cc2)c1 547176773 VRDSPXANHVYQOU-UHFFFAOYSA-N 437.441 4.051 5 20 IIBD O=C(Nc1cnn(-c2ccccc2)c1C(F)(F)F)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 547232567 UEXQRJASVLWKEP-UHFFFAOYSA-N 442.357 4.237 5 20 IIBD COc1cc(OC)cc(C2(F)CCN(C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1 548989905 SANJLMYJJSZNFO-OAHLLOKOSA-N 431.464 4.343 5 20 IIBD CS(=O)(=O)c1cc(-c2nc(C3(c4ccc(F)cc4)CCCCC3)no2)cc([N+](=O)[O-])c1 551428509 GKODNVLGUXCRQS-UHFFFAOYSA-N 445.472 4.438 5 20 IIBD C[C@H](Cc1ccccc1C(F)(F)F)N(C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] 553883447 OAHUFWXXMMOAJG-CQSZACIVSA-N 430.448 4.049 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCCCc2cn(-c3ccccc3)nc2C)cc1SC 556675716 NMXBYCNURXWMLZ-UHFFFAOYSA-N 440.525 4.182 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)c1 558869171 ZLMSLHXKONDRCC-CTNGQTDRSA-N 433.455 4.226 5 20 IIBD Cc1ccc(-c2ccc(Cl)cc2NC(=O)C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)o1 559034688 UBTGZLQHRAFDPL-UHFFFAOYSA-N 441.871 4.456 5 20 IIBD Cc1ccc([C@@]2(C)CCN(c3nnc(-c4ccc([N+](=O)[O-])cc4)n3C[C@H]3CCOC3)C2)cc1 559172038 AZXFCWZJFIHPBY-CLOONOSVSA-N 447.539 4.366 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])c1nnc(-c2cc3ccccc3o2)n1C[C@@H]1CCOC1 559172527 OEMUPZGJTVIOKG-INIZCTEOSA-N 433.468 4.272 5 20 IIBD CC[C@H](NCc1cc(I)cc([N+](=O)[O-])c1)c1ccc(OC)cc1 564389462 GMWFIRDBWTYBHR-KRWDZBQOSA-N 426.254 4.449 5 20 IIBD COc1cc(CCNC(=O)Nc2ccc(Oc3cccnc3)cc2)c([N+](=O)[O-])cc1OC 567308536 XAWHFYATCHWPAT-UHFFFAOYSA-N 438.440 4.164 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC(C)(C)[C@@H]3c3cnn(C)c3)cc2[N+](=O)[O-])C1 571207723 FVSUQIIDYCSWMJ-ZOCZFRKYSA-N 425.533 4.034 5 20 IIBD O=C(Nc1ncn(Cc2ccccc2)n1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 571379611 JWZUUXDHJRDKMD-UHFFFAOYSA-N 429.436 4.066 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC(c2noc3cc(F)ccc23)CC1 576267346 CEZGXUWRKIXFPM-UHFFFAOYSA-N 439.852 4.097 5 20 IIBD O=C1CCC(=O)N1c1ccc(-c2nc(Cc3ccc(Cl)c(Cl)c3)no2)cc1[N+](=O)[O-] 582326344 YGXKJSFFFMWERU-UHFFFAOYSA-N 447.234 4.196 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)ccc1[N+](=O)[O-] 589116105 BVKWOSGUMJSENJ-SOLBZPMBSA-N 441.450 4.087 5 20 IIBD COCC1(c2noc(-c3ccc([N+](=O)[O-])cc3I)n2)CCCCC1 589379654 VBDGDDSRACSLAP-UHFFFAOYSA-N 443.241 4.098 5 20 IIBD Cc1nc2ccccc2c2c(NC(=O)CCc3nc(-c4ncccn4)no3)c3ccccc3n12 589893601 GTCCYNJJYOAAPS-UHFFFAOYSA-N 449.474 4.360 5 20 IIBD CC(C)C[C@H](Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 600848808 XFTVBJGTOBFXNT-HNNXBMFYSA-N 431.436 4.460 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(C(C)(C)C)cc1 603508766 AIHDMWWRMXBGLX-HXUWFJFHSA-N 443.569 4.060 5 20 IIBD COC(=O)c1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)oc1C 603571529 NONFGMMEXPJLES-UHFFFAOYSA-N 426.450 4.364 5 20 IIBD CCn1cnnc1-c1cccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 603700897 NNMGJLQAZLDKCR-UHFFFAOYSA-N 435.362 4.067 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(Nc3c(C)nn(C)c3C)c([N+](=O)[O-])c2)c(C)c1 603839449 HLUGGXXBIYJURI-UHFFFAOYSA-N 429.502 4.106 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCCN(CC2CCCCC2)CC1 604085236 YKWYOQDWOKUDSJ-UHFFFAOYSA-N 426.464 4.316 5 20 IIBD O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 608948398 IFIRLYXHCLFWSU-UHFFFAOYSA-N 430.386 4.261 5 20 IIBD COc1ccc(CC(=O)Nc2cc(Cl)ccc2Sc2nccn2C)cc1[N+](=O)[O-] 609012328 VLBMKYMBOUCYHN-UHFFFAOYSA-N 432.889 4.323 5 20 IIBD COc1cc(CCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])cc1OC 609035048 KGBMTTYQXAEOPR-KGLIPLIRSA-N 439.295 4.381 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 609443066 GOQHPIIWRPDJQD-CYBMUJFWSA-N 430.823 4.457 5 20 IIBD O=[N+]([O-])c1cc2c(O)ncnc2cc1NC[C@H]1CCCCN1Cc1cccc(Cl)c1 609464252 VKCSTLZDIMTQET-MRXNPFEDSA-N 427.892 4.364 5 20 IIBD CC(C)C[C@@H](C)Oc1cc(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)ccn1 609528269 DZNIPQAVYQNGAC-GOSISDBHSA-N 440.544 4.336 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCc2ccc(Br)cc21 609724954 VUAXOUHVGKUNAB-UHFFFAOYSA-N 425.666 4.369 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(OCc2noc(C3CC3)n2)cc1 609793871 WQBZCUDELLDVLM-UHFFFAOYSA-N 428.832 4.269 5 20 IIBD O=C(Nc1ccccc1NC(=O)N1CCCC1)c1ccc([N+](=O)[O-])cc1Br 610060746 GPKOJGDIBCKBBP-UHFFFAOYSA-N 433.262 4.237 5 20 IIBD COC(=O)c1ccc(OCC(=O)N[C@H](c2ccc(C)cc2)c2cccs2)cc1[N+](=O)[O-] 613110080 GEPZFAMDSTVGAU-OAQYLSRUSA-N 440.477 4.036 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)cc(C(F)(F)F)c2)cc1OC 616958322 QOFSIEAZYJSVKF-UHFFFAOYSA-N 428.363 4.208 5 20 IIBD CC(=O)N[C@H]1Cc2ccccc2N(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 619656544 IQXGIMLOIDOJMO-SFHVURJKSA-N 447.516 4.454 5 20 IIBD O=C(Cc1csc(-c2ccc3c(c2)OCO3)n1)OCCCOc1ccc([N+](=O)[O-])cc1 726052463 ZSVCYILDKPDPGY-UHFFFAOYSA-N 442.449 4.002 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2cc(F)c(F)cc2N)c2ccccc2)c([N+](=O)[O-])c1 727189314 DLQIUHLTOIGACZ-FQEVSTJZSA-N 441.390 4.300 5 20 IIBD CN(C(=O)c1ccc(I)c([N+](=O)[O-])c1)[C@@H]1CCCc2ccccc21 727754103 FTBBXWJRBHSLKC-MRXNPFEDSA-N 436.249 4.349 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCc2cccc(C(=O)NCC(C)C)c2)cc1SC 728650535 GNRJBQWDUBVLGL-UHFFFAOYSA-N 432.498 4.068 5 20 IIBD O=C(O[C@@H](c1ccc(Cl)cc1)c1cccnc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 730428712 KCRNQYYETNUAQS-FQEVSTJZSA-N 435.827 4.170 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1CN(C)C(=O)OC(C)(C)C 732526155 LZUNLKFAVUUJOK-UHFFFAOYSA-N 435.502 4.071 5 20 IIBD CC(C)(NC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cccs1 735018782 XYIGWMZVHGVBKV-UHFFFAOYSA-N 446.506 4.089 5 20 IIBD O=C(Nc1cccc(C[S@@](=O)C2CCCCC2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 735019997 DRZRPCPQGIFDTR-SSEXGKCCSA-N 431.470 4.337 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1csc(CNC(=O)OC(C)(C)C)n1 736159465 UHHKTSVTWQJGQC-UHFFFAOYSA-N 426.882 4.290 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F 741518427 SCSDKCWEOZGOMH-IAGOWNOFSA-N 442.422 4.464 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N2C[C@@H](C)CCC[C@H]2C)cc1 741609242 ABIOUJHIEPSJSP-DOTOQJQBSA-N 446.525 4.322 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1c(C)cccc1F 742419508 DINPSLXGENBONW-UHFFFAOYSA-N 445.472 4.464 5 20 IIBD Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1 742961285 YCDZJAHDSNZREN-DYESRHJHSA-N 427.457 4.326 5 20 IIBD CCOC(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 743253545 PCBJIDHQORBEOM-UHFFFAOYSA-N 434.257 4.271 5 20 IIBD Cc1csc(Sc2ccc(C(=O)OCCNC(=O)c3ccccc3)cc2[N+](=O)[O-])n1 744294206 CXVJNLFZKSFJAG-UHFFFAOYSA-N 443.506 4.098 5 20 IIBD O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(=O)n(Cc2ccccc2Cl)c1 746062745 FVWFYAAWPWLWHL-UHFFFAOYSA-N 433.247 4.469 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1F)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 746982091 LQCORNXDPAWOAU-IBGZPJMESA-N 426.366 4.232 5 20 IIBD CCn1c(SC[C@H](O)c2ccccc2Br)nnc1-c1ccc([N+](=O)[O-])cc1 751579548 DSEKTZUHFSAWOI-INIZCTEOSA-N 449.330 4.461 5 20 IIBD O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 751657176 NUCUSTZXYGOPJJ-UHFFFAOYSA-N 426.366 4.125 5 20 IIBD Cc1c(C(=O)N[C@@H]2CCOc3c2ccc(Cl)c3Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] 754471465 KEOPXAMCAJDILQ-CYBMUJFWSA-N 426.212 4.372 5 20 IIBD C[C@@H](OC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccc(OC(F)F)cc1 755067465 RDVMXNOQFQZNJO-GHMZBOCLSA-N 426.347 4.009 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 755097172 FAJSALURVSXJQF-UHFFFAOYSA-N 438.509 4.126 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)Oc1ccc(OCc2nc(C(C)(C)C)no2)cc1 755786296 PRTAWXHEFMLCDB-UHFFFAOYSA-N 427.413 4.082 5 20 IIBD COC(=O)c1ccc([C@H](OC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(F)(F)F)cc1 759466869 ZJMRERDPWSLFAI-SFHVURJKSA-N 436.342 4.252 5 20 IIBD O=C(Cn1ccc(NCc2c3ccccc3c(Cl)c3ccccc23)n1)N1CCOCC1 760697731 QDAJXNHXSIQFRU-UHFFFAOYSA-N 434.927 4.314 5 20 IIBD Cc1cc(C(=O)COC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(Cl)cc1F 761110056 UNBSERPQNBTPJX-UHFFFAOYSA-N 431.807 4.136 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc3ccccc3nc2Br)c(Cl)c1 762501219 JJZKBFIIBSRYFN-UHFFFAOYSA-N 442.678 4.360 5 20 IIBD O=C(NC[C@@H](O)c1cccc(OCc2ccccc2)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 762538485 UROAXZDOFPLUCB-HSZRJFAPSA-N 431.448 4.119 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)Nc1cccc(C)c1C 763809628 DVAZPJRJWGGSMF-OAHLLOKOSA-N 432.498 4.134 5 20 IIBD CCc1cccc(CC)c1NC(=O)[C@H](C)OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 763868503 ALIQSJCDISYYFR-HNNXBMFYSA-N 436.468 4.089 5 20 IIBD COC(=O)Nc1cc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)cc(C(F)(F)F)c1 764249279 NVKQXGKVPJOWDR-UHFFFAOYSA-N 449.345 4.230 5 20 IIBD CC[C@H](C[C@@H](C)CO)NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 768882357 RWZYUWZDYLTBTP-ZIAGYGMSSA-N 433.892 4.027 5 20 IIBD O=C(Cc1noc(CCc2cccc([N+](=O)[O-])c2)n1)Nc1ccc(SC(F)F)cc1 770937511 IWYRLRNTDISYKU-UHFFFAOYSA-N 434.424 4.259 5 20 IIBD Cn1c([C@H](NC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)c2ccccc2)nc2ccccc21 771505161 YIAGLYZAXJFHIP-LJQANCHMSA-N 444.476 4.006 5 20 IIBD COC(=O)c1cc(C(=O)OCc2cccc(NC(=O)OC(C)(C)C)c2)cc([N+](=O)[O-])c1 773104218 JASYDCOMFZBGLQ-UHFFFAOYSA-N 430.413 4.085 5 20 IIBD CCOc1ccc(NC(=O)CN[C@@H](C)c2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])c1 775555035 ZVFHWGZCJDVTDD-LBPRGKRZSA-N 427.379 4.181 5 20 IIBD CC(C)(C)C[C@@H](NS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1)c1ccccc1 777881319 ZVTFHVURUBIOTB-QGZVFWFLSA-N 447.513 4.007 5 20 IIBD CCc1cc(=NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)c2cc([N+](=O)[O-])ccc2[nH]1 779468963 AAJVUPPEVNSNKG-HSZRJFAPSA-N 430.464 4.030 5 20 IIBD Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781630215 HTWCQXNAGWHGCJ-UHFFFAOYSA-N 440.456 4.055 5 20 IIBD CCN(C(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Br)C1CCCCC1 783358462 UUTQCHHKZVRMDE-GFCCVEGCSA-N 427.295 4.084 5 20 IIBD COc1cc(C(=O)CCC(=O)Oc2cc([N+](=O)[O-])c(Cl)cc2C)cc(OC)c1OC 783384050 ALTLPGTYLOYEGO-UHFFFAOYSA-N 437.832 4.151 5 20 IIBD O=[N+]([O-])c1cccc([C@@H](O)CN(Cc2cccc(Br)c2)C2CCOCC2)c1 786443786 YHRBBPJSRSRHJT-FQEVSTJZSA-N 435.318 4.072 5 20 IIBD CC[C@@H](Oc1ccccc1F)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 786536011 URAFXMDHYQPTDY-OAHLLOKOSA-N 444.337 4.092 5 20 IIBD O=C(NC[C@@]1(O)CCCc2ccccc21)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 787397210 VFOGSRPEXFCCHW-VWLOTQADSA-N 432.476 4.128 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)OCc2nc(-c3cccc(Br)c3)no2)c1F 787940376 SJGZYNBCSYXNRE-UHFFFAOYSA-N 436.193 4.212 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)[C@H]2CC(=O)c3ccccc32)c2ccccc2)c([N+](=O)[O-])c1 789301893 PPCGSIGHDILRDC-CVDCTZTESA-N 444.443 4.496 5 20 IIBD CNC(=O)Oc1cccc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 795010170 LUFWBPFGOMIXGV-AWEZNQCLSA-N 435.440 4.133 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CC[C@@H](Sc2cccc(Cl)c2)C1 795190564 JUJYOOXPAGFFAO-QGZVFWFLSA-N 435.889 4.482 5 20 IIBD O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1CN1CCS[C@@H](c2ccccc2)C1 795430393 DITRBOMVHJRVHU-GOSISDBHSA-N 448.342 4.061 5 20 IIBD O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1CN1CC[C@H]1c1ccc(Cl)cc1 795435589 XRMHTZGBKOAMNW-INIZCTEOSA-N 436.693 4.371 5 20 IIBD O=C(c1ccc(I)c([N+](=O)[O-])c1)N1CCc2cc(Cl)ccc21 808880067 JOUJJQOACBDOPL-UHFFFAOYSA-N 428.613 4.056 5 20 IIBD CC(C)(C)Sc1ccc(-c2noc(-c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)n2)nc1 809447156 KBOUEOCQVASFHE-UHFFFAOYSA-N 434.499 4.001 5 20 IIBD CSc1cccc(-c2nc(C[C@](O)(c3ccc(C)o3)C(F)(F)F)no2)c1[N+](=O)[O-] 809450949 FVXBSJGZWPRBIS-INIZCTEOSA-N 429.376 4.261 5 20 IIBD O=C(C[C@H]1CCCCCN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ccco1 809831992 JZFNLGSMXGGBPK-GFCCVEGCSA-N 444.868 4.187 5 20 IIBD CCOc1ccc([C@H](O)C2CCN([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1 812864604 RPCFDBDTGVNOEV-HXOBKFHXSA-N 441.528 4.075 5 20 IIBD CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](COC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 813156469 BQOROWJLRFXKNQ-LBPRGKRZSA-N 434.823 4.297 5 20 IIBD Cc1onc(-c2ccc(F)cc2)c1C(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 813173501 CXQPZDUJIMFZEQ-IBGZPJMESA-N 425.416 4.129 5 20 IIBD CC[C@H](c1ccccc1OC)N(C)C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O 813759569 FQDXLDAYXPCLLR-OAHLLOKOSA-N 444.875 4.371 5 20 IIBD O=C(COC(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1)c1cccc([N+](=O)[O-])c1 815371702 HFIKKQDVFVYUKF-UHFFFAOYSA-N 443.843 4.032 5 20 IIBD C[C@@H](OC(=O)CCNc1ccccc1[N+](=O)[O-])C(=O)Nc1nc(-c2ccccc2)cs1 842050491 YELNLQGXKVVDCA-CQSZACIVSA-N 440.481 4.091 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccccc2OCc2cscn2)cccc1[N+](=O)[O-] 858005111 AFFDQIWSZQEDNW-CQSZACIVSA-N 441.465 4.123 5 20 IIBD COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)SCc2cc([N+](=O)[O-])ccc2OC)c1 861872442 OYQJVNKWLVUXFS-KBPBESRZSA-N 434.514 4.120 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CCCC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C 916827983 CATCHEJTRJLHEF-UHFFFAOYSA-N 428.445 4.484 5 20 IIBD CCc1ccc(-c2nc(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cs2)cc1 917512461 HLIYAXDJKVPDST-UHFFFAOYSA-N 436.537 4.172 5 20 IIBD O=C(c1ccc(F)cc1)c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 917845040 KBMOKAIMTXQAGA-UHFFFAOYSA-N 435.816 4.386 5 20 IIBD CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccc(-c3ccccc3)o2)NC(=S)N1 917879571 OOMZGIZBMCKMMB-HXUWFJFHSA-N 434.477 4.286 5 20 IIBD CC(C)[C@@H](OC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C(=O)Nc1ccccc1C(F)(F)F 919506999 DPBHFTNCPRKZMK-MRXNPFEDSA-N 443.353 4.155 5 20 IIBD CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)OC1CCC(C(C)(C)C)CC1 920124022 NHYHVERYDKFPCF-YMAMQOFZSA-N 426.535 4.187 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)c3cccnc3)CCC2)cc1 1786601675 LCMFLTNCGKSEMZ-UHFFFAOYSA-N 444.491 4.370 5 20 IIBD O=C(CC1CC1)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])[nH]n1 1817029670 NONJUWHTKVPRFZ-KRWDZBQOSA-N 445.907 4.006 5 20 IIBD CC(C)=CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1 1830257260 LXFRLUYLXNUPAQ-FQEVSTJZSA-N 443.544 4.280 5 20 IIBD Cc1nc2cc(C(=O)O[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])ccc2n1-c1ccccc1 10992635 BKASANFCTLSOMQ-OAHLLOKOSA-N 444.447 4.426 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1Br 14737900 PRFDBCNPAOXDDD-UHFFFAOYSA-N 430.052 4.137 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)n1CC(F)(F)F 16405893 JREFTSLHZDIUDI-NSHDSACASA-N 447.797 4.413 5 20 IIBD CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Cl 18219535 XNAARMVQWSPIKO-UHFFFAOYSA-N 431.659 4.370 5 20 IIBD C[C@H](OC(=O)c1ccc(Br)cc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 18612865 HRSNGGPLDVBAKW-VIFPVBQESA-N 436.193 4.464 5 20 IIBD O=c1[nH]c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nc2sc3c(c12)CCCC3 20864898 HDYHWUDONXBCLN-UHFFFAOYSA-N 441.494 4.114 5 20 IIBD CC(C)C(=O)Nc1ccc(CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])cc1 25568451 YHEQRQFHSDTZPF-UHFFFAOYSA-N 445.419 4.095 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)N(C)Cc2nc3ccccc3s2)c1 28401259 SEYPMGKPQYERRT-LBPRGKRZSA-N 445.522 4.130 5 20 IIBD CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c1C 28624466 CCMQTBRHYWTLEV-UHFFFAOYSA-N 449.463 4.394 5 20 IIBD CCOc1cc(CN(C)C(=O)CSc2ccc([N+](=O)[O-])cc2)ccc1OC(F)F 33080414 AOYICAVBHKBZQC-UHFFFAOYSA-N 426.441 4.346 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1C 60441999 PMNYCCPGHNFXAP-UHFFFAOYSA-N 440.403 4.217 5 20 IIBD Cn1ccnc1COc1ccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 64918468 NXTOETOVFMHANV-UHFFFAOYSA-N 435.465 4.283 5 20 IIBD CCCN(CC(=O)Nc1ccccc1C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 98069271 MCYHPUCESBFTTI-OAHLLOKOSA-N 432.908 4.234 5 20 IIBD CCOc1ccc(C(=O)Nc2ccnn2Cc2cccc(Br)c2)cc1[N+](=O)[O-] 107862518 JHVWDZKQYHBLPE-UHFFFAOYSA-N 445.273 4.253 5 20 IIBD CC[C@H](C(=O)N1CCC(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1)c1ccccc1 109862378 BCEKIONFKJVWPM-IBGZPJMESA-N 441.553 4.231 5 20 IIBD CSc1ccc(C(=O)Nc2cc(C(=O)NCC(F)(F)F)ccc2C)cc1[N+](=O)[O-] 195627251 PETREKHOVDBOJU-UHFFFAOYSA-N 427.404 4.170 5 20 IIBD COc1cc([N+](=O)[O-])ccc1Oc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl 301139917 HESQTQWCIJCCFV-UHFFFAOYSA-N 442.737 4.009 5 20 IIBD C[C@@H]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c2cc(Cl)ccc2S1 303345766 DVLWDUUMNOYXSV-GFCCVEGCSA-N 429.889 4.360 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)cc1SC 303770110 QNFXYDCFFKOJLU-AEFFLSMTSA-N 443.569 4.450 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc3c(F)cc(Br)cc3[nH]2)cc([N+](=O)[O-])c1 303775067 NNJYZRXHXYMTPE-UHFFFAOYSA-N 436.193 4.017 5 20 IIBD O=C(CCSc1nnc2c(Cl)cc(C(F)(F)F)cn12)Nc1ccccc1[N+](=O)[O-] 409865088 QKKXRZPNHNQPDO-UHFFFAOYSA-N 445.810 4.431 5 20 IIBD O=C(Cc1ccccc1[N+](=O)[O-])Nc1nnc(-c2cc(Br)ccc2F)s1 410011519 SSHJFNNCNVMJGA-UHFFFAOYSA-N 437.250 4.196 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC(N2CCc3ccccc32)CC1 410324922 LCQAFGFDZGFDDJ-UHFFFAOYSA-N 430.302 4.025 5 20 IIBD O=C(NCCc1cc(Br)ccc1F)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 425994657 HRGADRRDJKPVFK-UHFFFAOYSA-N 436.281 4.413 5 20 IIBD C[C@@H]1CN(CCC2CCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC2)C[C@@H](C)O1 426800767 OWNQIUKPMDNSQH-RTBURBONSA-N 442.560 4.004 5 20 IIBD CCOc1cc(CS(=O)(=O)[C@H](C)c2ccc(Br)cc2)ccc1[N+](=O)[O-] 427155703 QWTSVOXDQJSMLR-GFCCVEGCSA-N 428.304 4.432 5 20 IIBD C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1nc(Cc2ccccc2)no1 427204546 LEEBVNSOMMZFMI-CYBMUJFWSA-N 435.465 4.183 5 20 IIBD COC(=O)[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(OC(F)F)cc1 428060560 UBLKUMLVMZHNRA-QGZVFWFLSA-N 449.435 4.324 5 20 IIBD CCOC(=O)[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(OC)c(F)c1 428395526 ZVKJEQPBTLOZOO-OAQYLSRUSA-N 428.416 4.397 5 20 IIBD CNC(=O)c1cc(Oc2ccccc2NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccn1 428867052 ZVTGLHRTSPIGRD-OAHLLOKOSA-N 449.467 4.333 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2c3ccccc3S[C@@H](C)[C@H]2C)cc1OC 430635600 HHXWZFLQTSNUSR-KGLIPLIRSA-N 432.498 4.158 5 20 IIBD CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 431113951 WFQVLZLMYQQRKG-FQEVSTJZSA-N 429.904 4.194 5 20 IIBD CC(C)Oc1ccc(C(=O)O)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 431457285 NPDYTOOJXFOEFZ-UHFFFAOYSA-N 437.246 4.024 5 20 IIBD O=C(NCc1ccc(COCC(F)(F)F)cc1)c1cc(Br)cc([N+](=O)[O-])c1 431648505 PZRAIIUOEGNRRT-UHFFFAOYSA-N 447.207 4.366 5 20 IIBD CCOc1cc(CS(=O)(=O)Cc2csc(-c3ccc(F)cc3)n2)ccc1[N+](=O)[O-] 434636657 IMYARSWNFSXELY-UHFFFAOYSA-N 436.486 4.371 5 20 IIBD O=C(NCc1ccccc1Cn1cccn1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 435936622 MXWPESIHQHZKNW-UHFFFAOYSA-N 444.441 4.134 5 20 IIBD C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 436133227 LZSOMGKNZBKZNJ-WMZOPIPTSA-N 429.495 4.386 5 20 IIBD O=C(Nc1ccccc1N1CCCCCC1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 437071115 FOYURVDOPZJGPF-UHFFFAOYSA-N 436.512 4.105 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(-c3nc(-c4ccc(OCC(F)F)cn4)no3)cs2)c1 442686416 WLVLVTRUYSPALX-UHFFFAOYSA-N 431.380 4.474 5 20 IIBD C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 443102966 JOKIMVYTRXLYJT-WZONZLPQSA-N 446.507 4.152 5 20 IIBD COc1ccc(CSCC(=O)N2CCC[C@H]2CC(=O)c2cccs2)cc1[N+](=O)[O-] 443673672 JLIBCHLODOGCOT-HNNXBMFYSA-N 434.539 4.162 5 20 IIBD COc1ccccc1O[C@@H](C)CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444087346 LETPCSAPZOKCSV-ZDUSSCGKSA-N 438.430 4.165 5 20 IIBD Cc1ccc(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c(O[C@H]2CCOC2)c1 444230586 ZYHGOWBTSDWXPN-IBGZPJMESA-N 428.488 4.087 5 20 IIBD COc1ccccc1OC[C@@H](C)CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444281475 ACXLGWAYZOOAGN-HNNXBMFYSA-N 434.467 4.274 5 20 IIBD Cc1nn(-c2ccccc2)c2sc(C(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)cc12 444635569 LEHPVGRNZDINJL-UHFFFAOYSA-N 432.465 4.110 5 20 IIBD COc1cccc([C@@H]2[C@@H](c3nc(Cc4ccc([N+](=O)[O-])c(C)c4)no3)CC(=O)N2C2CC2)c1 445238387 WNNJCFDKALLLDC-WMZHIEFXSA-N 448.479 4.105 5 20 IIBD O=C(Cc1noc(/C=C/c2cccc([N+](=O)[O-])c2)n1)Nc1ccccc1Br 445470673 KIWMUTSGUJGPTR-CMDGGOBGSA-N 429.230 4.092 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)C1(Cc2ccc(F)cc2)CC1)c1ccccc1[N+](=O)[O-] 445562875 HQQLYKXGVGNKQR-IBGZPJMESA-N 428.460 4.256 5 20 IIBD O=C(Nc1ccnc(Oc2ccc(F)cc2F)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 448450006 SSINGUFNHNIDHY-UHFFFAOYSA-N 437.362 4.498 5 20 IIBD COc1cc(C(=O)NC[C@@H](C)Oc2ccccc2Cl)c([N+](=O)[O-])cc1OC(F)F 460446822 HULRKPKGHHLZFD-SNVBAGLBSA-N 430.791 4.056 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N[C@H]1CCO[C@H](C2CC2)C1 462175721 LVLCXVCNQBTNKG-REWPJTCUSA-N 446.507 4.064 5 20 IIBD CC(C)(C)c1csc(CCNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])n1 462279369 PLYFNTCBOHOKHX-UHFFFAOYSA-N 438.358 4.177 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc(Br)c2c(c1)OCCO2 462503871 RDPOPIHDYWGUKU-OAHLLOKOSA-N 449.301 4.014 5 20 IIBD CC[C@H](C)N(C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)c1ccc(C(N)=O)cc1 463616794 UAGJCKIHCVDWMQ-IRXDYDNUSA-N 438.528 4.375 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 463957128 FMDOYLLGQJFGOO-QZTJIDSGSA-N 426.517 4.143 5 20 IIBD Cc1nc(-c2ccccc2Br)sc1[C@H](C)Nc1ncc([N+](=O)[O-])c(N)n1 466814305 QRXMBDORLUDUAN-VIFPVBQESA-N 435.307 4.335 5 20 IIBD CC1CCN(c2ccc(C(=O)N3C[C@H](c4ccsc4)O[C@H](C)C3)cc2[N+](=O)[O-])CC1 470742406 BSTVCILXDBMSQS-IIBYNOLFSA-N 429.542 4.495 5 20 IIBD COC(=O)c1nc([C@@H]2CCCN2C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)sc1C 471904200 AQPSUHBVWYOVCU-KRWDZBQOSA-N 446.529 4.016 5 20 IIBD COc1cc(C(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)c([N+](=O)[O-])cc1OC 472272661 AMUJTDMSEKFCNI-FQEVSTJZSA-N 427.844 4.180 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)c(Cl)c1 477246619 DURYGIOZIZEOSH-OAHLLOKOSA-N 432.832 4.206 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CC=C(c3cccc(Cl)c3)CC2)cc1OC 477378922 LTWMUNZOCSSUDY-UHFFFAOYSA-N 446.887 4.212 5 20 IIBD Cc1nc(CN(C)[C@H]2CCCN(C(=O)c3cc4ccccc4c4cccnc34)CC2)no1 478348660 VQJJKNJEOCZTJM-IBGZPJMESA-N 429.524 4.206 5 20 IIBD Cc1coc(-c2cc(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)ccc2C)n1 478493674 SNZQNTCHKSZSAR-MRXNPFEDSA-N 440.481 4.171 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 479020099 NIGAPJGYVHHTRD-HXUWFJFHSA-N 429.542 4.282 5 20 IIBD COc1cc(C(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)cc([N+](=O)[O-])c1C 479666043 ZFWMCURCXJGXOD-UHFFFAOYSA-N 437.427 4.233 5 20 IIBD COCCC[C@@H](Cc1ccccc1)Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl 480556998 SKFINSJSYWGNFQ-KRWDZBQOSA-N 442.903 4.244 5 20 IIBD COc1ccc(NC(=O)Nc2cc(I)ccc2C)cc1[N+](=O)[O-] 481281565 QBNAZZZOQKQIET-UHFFFAOYSA-N 427.198 4.160 5 20 IIBD COc1ccccc1NC(=O)c1ccc(NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)cc1 485612162 HCMLMBFMGQCBDB-UHFFFAOYSA-N 435.436 4.425 5 20 IIBD COC(=O)c1cc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)c(C)c([N+](=O)[O-])c1 485973165 BERZBYIPUXTAEB-SNVBAGLBSA-N 427.240 4.403 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N=c1nc(Cc2ccccc2)[nH]s1 487153193 SFHISPYKSHQEBQ-UHFFFAOYSA-N 428.539 4.459 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)N1Cc2ccccc2[C@@H](c2ccccc2)C1 487870704 LKKMZIXQGPMNOJ-JOCHJYFZSA-N 439.471 4.084 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2cccc(-c3nccs3)c2)cc1[N+](=O)[O-] 489677551 KIAAFCLIRWEEAG-UHFFFAOYSA-N 438.494 4.250 5 20 IIBD Cc1ccc([C@H](C)NC(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)cc1[N+](=O)[O-] 492957774 GXSBGCLLKGLUMO-HNAYVOBHSA-N 441.488 4.086 5 20 IIBD Cc1nc2ccccc2n1CCCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 494213387 SVFHUAIAXJBJAH-UHFFFAOYSA-N 435.406 4.161 5 20 IIBD COc1ccc(CN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c2ccncc2)cc1 498195975 PPPNARYERKQLEG-UHFFFAOYSA-N 429.379 4.447 5 20 IIBD C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 500347970 VPQIWHFHAZJLDC-VWMOJTHMSA-N 443.466 4.204 5 20 IIBD CN1CC[C@H](Sc2nc3cc([N+](=O)[O-])ccc3n2-c2cccc(C(F)(F)F)c2)C1=O 501132813 IBQULBIOLLJGJY-INIZCTEOSA-N 436.415 4.275 5 20 IIBD O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCO[C@H](c2ccc(Br)cc2)C1 502778476 HMTRXIWXPMPZHS-KRWDZBQOSA-N 430.258 4.052 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CN3CCN(Cc4cccc5ccccc45)CC3)n2)c1 506090959 WNQSQZGRMQFWFI-UHFFFAOYSA-N 429.480 4.116 5 20 IIBD COCCSc1ccc([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 507461349 TZYOUIYGEWWPIL-LBPRGKRZSA-N 430.935 4.026 5 20 IIBD CC1(c2nc3ccccc3s2)CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 509173827 ZKYGOPFMSWKBQV-UHFFFAOYSA-N 435.502 4.086 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCc2c(ncn2-c2ccc(F)cc2)C1 510418399 WEHDVPKESJHLAU-CQSZACIVSA-N 434.431 4.089 5 20 IIBD COc1cc(C(=O)N2CCCc3cc(F)ccc32)c([N+](=O)[O-])cc1OCc1cscn1 512337607 IQZSACHKNKLGBT-UHFFFAOYSA-N 443.456 4.371 5 20 IIBD CCOc1cc(CN2CCC[C@H]2C2CCC2)ccc1OCCn1c([N+](=O)[O-])cnc1C 512609240 HDKXFRBSLMPLBE-FQEVSTJZSA-N 428.533 4.342 5 20 IIBD Cc1ccc(NC(=O)NC2CCN(Cc3coc(-c4ccccc4)n3)CC2)cc1[N+](=O)[O-] 513957219 TUIXETKEIXTUTR-UHFFFAOYSA-N 435.484 4.344 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 516023261 JLTKBFFQKSXUAF-OAHLLOKOSA-N 439.802 4.152 5 20 IIBD COc1cc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1OC1CCCC1 516341528 CALZLNSKNKDCIW-UHFFFAOYSA-N 440.905 4.057 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 518832785 JSJAFXOUEDLPKQ-SNVBAGLBSA-N 438.267 4.200 5 20 IIBD COc1cc(OCC(=O)NCc2ccccc2-c2ccc(CN(C)C)cc2)ccc1[N+](=O)[O-] 519058550 HTWLYQKERXJTTA-UHFFFAOYSA-N 449.507 4.027 5 20 IIBD Cc1c(C(=O)N(Cc2ccccc2)Cc2ccc(F)cc2)nnn1-c1cccc([N+](=O)[O-])c1 520151325 RYOFAQQXARGCQT-UHFFFAOYSA-N 445.454 4.466 5 20 IIBD O=C(CCc1nnc(-c2cc3ccccc3o2)o1)NCCCCc1ccc([N+](=O)[O-])cc1 523497086 GZVJUTFJTGJHQN-UHFFFAOYSA-N 434.452 4.463 5 20 IIBD COc1ccc(N(Cc2ccco2)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1F 524146310 NYTHYIMDCRUARK-UHFFFAOYSA-N 436.399 4.368 5 20 IIBD COc1cc(CNC[C@H]2CCCn3cc(C)nc32)ccc1OCc1ccc([N+](=O)[O-])cc1 525182237 WCSCULPZDMZUIJ-HXUWFJFHSA-N 436.512 4.355 5 20 IIBD Cc1nn(CCC(=O)NCc2ccccc2COc2ccccc2Cl)c(C)c1[N+](=O)[O-] 525613498 XCZSNJHYRJLJQO-UHFFFAOYSA-N 442.903 4.347 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2C(F)(F)F)c1 525656111 FSPBZPHFPKBGHR-KRWDZBQOSA-N 437.374 4.292 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CC=C(c2ccccc2C(F)(F)F)CC1 532170271 XHKHIGZDPYLOIM-UHFFFAOYSA-N 434.370 4.314 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(n2cc(Br)cn2)CC1 532551826 WPMABPYXRVIPQG-LBPRGKRZSA-N 447.293 4.002 5 20 IIBD COc1ccc(CSCC(=O)N2CCc3cc(Br)ccc32)cc1[N+](=O)[O-] 532939834 ZHEUZZPRDGDLDL-UHFFFAOYSA-N 437.315 4.188 5 20 IIBD C[C@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCN1c1nc2ccccc2o1 532949542 AQBZOXPUTGXERU-INIZCTEOSA-N 433.468 4.144 5 20 IIBD O=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)NCCc1cccc([N+](=O)[O-])c1 534732845 LRTDJXYROMQKMO-UHFFFAOYSA-N 443.459 4.495 5 20 IIBD CC(=O)NC[C@H]1CN(Cc2ccc(Oc3cc(C)ccc3C(C)C)c([N+](=O)[O-])c2)CCO1 536680851 CPIMQHJOXVUYRX-FQEVSTJZSA-N 441.528 4.156 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)N(CC)CC(=O)Nc1ccccc1C(F)(F)F 536867949 FIWYKPWWDSVAOV-UHFFFAOYSA-N 439.390 4.113 5 20 IIBD Cn1cc(CN(CCO)Cc2ccc(Cl)c(Cl)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 538762398 NUZLLLVVFBFJIX-UHFFFAOYSA-N 435.311 4.297 5 20 IIBD Cc1nc(C2CCCCC2)sc1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 539339828 IUZXIMYWWMKABY-UHFFFAOYSA-N 448.570 4.067 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1)N1CCOCC1 539601905 SPMDUXPRQGQNCQ-NRFANRHFSA-N 443.569 4.290 5 20 IIBD Cc1cc(C(=O)NCC(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)ccc1[N+](=O)[O-] 542036054 GFYCIUAOMUGLPC-UHFFFAOYSA-N 444.447 4.004 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CN(C)Cc1ccc([N+](=O)[O-])cc1Cl 542928778 UTVBUGCCFFGCQC-UHFFFAOYSA-N 426.698 4.390 5 20 IIBD CCCN(C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C1CCN(C(=O)c2ccccc2)CC1 543463285 ZDMKAKAGEUIASC-QGZVFWFLSA-N 441.503 4.381 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1noc(CCSc2ccc3c(c2)OCCCO3)n1 546376139 HBOBFXBCVMQWRM-UHFFFAOYSA-N 442.497 4.129 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)NCc1cc(Br)ccc1Br 547801365 WPXIFRFWMSPWFU-UHFFFAOYSA-N 443.095 4.119 5 20 IIBD CN(Cc1ccc(F)c(Cl)c1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 549634321 TYFZJASQFZLBFP-HNNXBMFYSA-N 445.882 4.319 5 20 IIBD Cn1ccnc1[C@@H](N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 552066226 ABIODMBPPQWSFE-UZLBHIALSA-N 445.445 4.305 5 20 IIBD O=C(NC[C@H](NCc1ccccc1)c1ccco1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 557459376 KEEUTFMUZSNEGJ-SFHVURJKSA-N 433.386 4.468 5 20 IIBD CC(C)(NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccccc1[N+](=O)[O-] 557977323 POCYTAHJGWHYKY-UHFFFAOYSA-N 439.493 4.061 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H](OC)c2ccc(Br)cc2)c1 558801627 DLJNROYKPOOTRQ-KPZWWZAWSA-N 437.290 4.262 5 20 IIBD CN(C)c1nc2ccc(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)cc2[nH]1 559050915 SHGLRTUASPGZFN-UHFFFAOYSA-N 433.418 4.154 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCNC3(Cc4ccc(F)cc4)CCOCC3)o2)c1 559285142 HJYSVDXQNWNOMR-UHFFFAOYSA-N 425.460 4.313 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)Nc1ccc2c(c1)OC(C)(C)O2)c1ccccc1[N+](=O)[O-] 561329297 UQCGGNPNCYCHGZ-INIZCTEOSA-N 443.456 4.307 5 20 IIBD Cn1c(SCc2cc(F)c(C(F)(F)F)cc2F)nc2cc([N+](=O)[O-])ccc2c1=O 561474892 IAPJOSSBJNFMLD-UHFFFAOYSA-N 431.342 4.431 5 20 IIBD CCN(CC)CCNC(=O)c1cc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)ccc1Cl 562400988 JMIRVGNPNFEALZ-OAHLLOKOSA-N 446.935 4.062 5 20 IIBD Cc1nn(Cc2ccc(-c3nc(-c4ccc(N5CCCC5)cn4)no3)cc2)c(C)c1[N+](=O)[O-] 563790852 NOQUOPSBYCCUHI-UHFFFAOYSA-N 445.483 4.169 5 20 IIBD C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 570183082 WSFJNHDHESCVCK-AWNIVKPZSA-N 428.432 4.210 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CNC2CCN(C3CCCCC3)CC2)c1 574560891 UODROLKJASJEDS-UHFFFAOYSA-N 443.329 4.086 5 20 IIBD CC(C)[C@@](C)(O)CNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 574840291 MECSLKIXCOAZEE-FQEVSTJZSA-N 439.871 4.386 5 20 IIBD O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@@H](Cc1ccccc1)C(F)(F)F 575226088 MEGHWSYVFLHYKO-MRXNPFEDSA-N 434.418 4.339 5 20 IIBD CC(C)[C@@](C)(Cc1ccc(Cl)cc1)NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 583460132 NJLLLOFUIPGZRS-HXUWFJFHSA-N 438.933 4.039 5 20 IIBD COc1cccc([C@H]2CCCN2c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])c1 590834362 VJWORQLJJPWJOK-HXUWFJFHSA-N 445.541 4.120 5 20 IIBD CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 598953338 RLLARKFVBMOSTC-IBGZPJMESA-N 433.464 4.119 5 20 IIBD CCN(CC)C(=O)COc1cccc(NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 600850225 HWQBKCKZDRUMMW-UHFFFAOYSA-N 425.407 4.473 5 20 IIBD CCOC(=O)C[C@H](c1ccccc1)C1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 603871349 XBGJYXXTNZYMNC-QGZVFWFLSA-N 428.514 4.257 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 608792941 USUCANBTBYYVER-UHFFFAOYSA-N 437.418 4.161 5 20 IIBD CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 608794177 PWXBRQDCONMXDB-INIZCTEOSA-N 429.496 4.067 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 608875289 LKEPYXNPHUZMKV-UHFFFAOYSA-N 448.766 4.118 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(NC(=O)NCc2ccncc2)c1 609026535 LCXMIWINIWOPEU-UHFFFAOYSA-N 437.481 4.042 5 20 IIBD COc1ccc(-c2nc(Cc3noc(-c4ccc(N5CCCC5)c([N+](=O)[O-])c4)n3)co2)cc1 609474257 MCRSMNLURLRPHR-UHFFFAOYSA-N 447.451 4.499 5 20 IIBD CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 609496916 QFEWWHGCQICBSA-AWEZNQCLSA-N 442.324 4.226 5 20 IIBD Cc1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1NC(=O)CN1CCCCC1 609502199 KJPMZAVDHHXMMP-UHFFFAOYSA-N 430.892 4.233 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(C(=O)Nc2nccs2)cc1 609723041 JDEDHKKTQHQWAD-UHFFFAOYSA-N 446.872 4.365 5 20 IIBD Cc1cccc2c(=O)n(CCC(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cnc12 609756067 VUKDBTYSHUNWNQ-UHFFFAOYSA-N 444.447 4.434 5 20 IIBD CCCc1[nH]nc(C(=O)Nc2ccc(CC(=O)N(CC)c3ccccc3)cc2)c1[N+](=O)[O-] 609987521 JLBUFKWZJRJARK-UHFFFAOYSA-N 435.484 4.118 5 20 IIBD CC(C)(C(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1)c1ccc([N+](=O)[O-])cc1 610041129 VNNMNTOVJXHTRU-UHFFFAOYSA-N 438.528 4.326 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2ncc(C)s2)c([N+](=O)[O-])c1 610281190 QDSUINDTBXPSNY-UHFFFAOYSA-N 432.527 4.187 5 20 IIBD CCCCCn1c(Sc2c([N+](=O)[O-])ncn2C)nc2sc3c(c2c1=O)CCCC3 610348508 ODRWEIYFWRSKRB-UHFFFAOYSA-N 433.559 4.320 5 20 IIBD CC(C)(C)OC(=O)c1cccc(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 611426678 FQUNNGMIIKILMP-UHFFFAOYSA-N 435.274 4.243 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] 611529901 QCJDYJPZZVQPFX-FQEVSTJZSA-N 440.887 4.264 5 20 IIBD COc1ccc(-c2nccnc2NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 684842219 LMPWRHPNXWRLDT-UHFFFAOYSA-N 436.471 4.259 5 20 IIBD COc1cc(COC(=O)Cc2cccc(Br)c2)c([N+](=O)[O-])cc1OC(F)F 725984351 RFSZDGLRAFPYJF-UHFFFAOYSA-N 446.200 4.253 5 20 IIBD O=C(Nc1cc(F)c(I)c(F)c1)c1cc(F)c(F)cc1[N+](=O)[O-] 727709621 ZTQHTJNKGKMHHM-UHFFFAOYSA-N 440.090 4.008 5 20 IIBD Cc1c(C(=O)Nc2ccc(Oc3ccc(F)cc3)cn2)nnn1-c1cccc([N+](=O)[O-])c1 729380921 VKPTWNFMLIGTOX-UHFFFAOYSA-N 434.387 4.063 5 20 IIBD C[C@@H](OC(=O)c1ccccc1CS(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 731166307 OTPKRMMEHJZFHW-MRXNPFEDSA-N 425.462 4.487 5 20 IIBD CCc1ccc([C@H](NC(=O)COC(=O)c2cc(F)cc([N+](=O)[O-])c2)c2cccs2)cc1 731528415 HQDLEZAPFMHMLQ-NRFANRHFSA-N 442.468 4.420 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 731831671 QECMMBCBLNDLPG-OAQYLSRUSA-N 440.887 4.020 5 20 IIBD COc1ccc(NC(=O)OC(C)(C)C)c(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 732524978 VNTCIFFOAIQIOS-UHFFFAOYSA-N 437.474 4.060 5 20 IIBD NC(=O)c1ccc(COC(=O)[C@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1 732587720 SAPUNXYWMMRRTA-VXKWHMMOSA-N 446.459 4.120 5 20 IIBD CCOC(=O)C1=C(C)N([C@H](C)CC)C(=O)N[C@@H]1c1csc(-c2cccc([N+](=O)[O-])c2)n1 733121471 NKAIRSLMBQTEIT-KZULUSFZSA-N 444.513 4.420 5 20 IIBD CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 736864057 QLJJZZOVRSCMCL-UHFFFAOYSA-N 431.659 4.370 5 20 IIBD CCN(CC)C(=O)c1cccc(OC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 741599610 IKJPYKMCGYLMBK-UHFFFAOYSA-N 425.466 4.420 5 20 IIBD O=C(O[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1cc(Cl)ccc1[N+](=O)[O-] 744489053 HBFLJKIVIZPCFI-INIZCTEOSA-N 440.786 4.202 5 20 IIBD O=C(OCc1c(F)cccc1[N+](=O)[O-])[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 745506486 OVIIVRRFANEZRR-GOSISDBHSA-N 443.258 4.157 5 20 IIBD COc1ccc(OCCOC(=O)[C@H](C)c2ccc(Br)s2)c([N+](=O)[O-])c1 745641809 XNKDOKGURDJPIT-SNVBAGLBSA-N 430.276 4.153 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Oc1cccc2ccc(N3CCCC3)nc12 747844956 FZQPSXDSLDBFGG-UHFFFAOYSA-N 433.873 4.164 5 20 IIBD Cc1c(C(=O)NCc2ccc(CN3CCCC[C@@H]3C)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748713323 ZBZXUGMYDXIDEY-HNNXBMFYSA-N 440.500 4.424 5 20 IIBD C[C@H](c1nc2ccccc2s1)[C@@H](C)OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 749218293 MRQISOYBBFLOCC-UONOGXRCSA-N 427.482 4.060 5 20 IIBD CC(C)Oc1ccc(-c2nc(C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)cs2)cc1 749319078 ZFRXPIOINFEUCN-UHFFFAOYSA-N 441.465 4.301 5 20 IIBD COc1cc([C@H](C)NC(=O)c2cc(F)ccc2[N+](=O)[O-])ccc1OCc1ccncc1 751097349 XHLHDTOSBBYMPF-AWEZNQCLSA-N 425.416 4.208 5 20 IIBD COC(=O)c1cc(NC(=O)NC[C@@H](O)c2ccc(-c3ccccc3)cc2)c(C)c([N+](=O)[O-])c1 753127541 XNKWIFBRCWLMEH-JOCHJYFZSA-N 449.463 4.212 5 20 IIBD CCNC(=O)c1cc(Cl)ccc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 755001335 MKMVYFPMWFNXND-UHFFFAOYSA-N 444.644 4.152 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1 755121029 HMMPJCLSQJHLAE-UHFFFAOYSA-N 428.489 4.026 5 20 IIBD O=c1c2c(ccn1Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)ccn2Cc1ccccc1 760353232 NEKBGZQTGSBRSE-UHFFFAOYSA-N 426.432 4.463 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(N2CC=C(c3cccc(Br)c3)CC2)c1[N+](=O)[O-] 762800846 VZWNSAARZDQZML-UHFFFAOYSA-N 448.273 4.360 5 20 IIBD COC(=O)c1cccc(-c2nc(COC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)cs2)c1 763423559 KYOHSHQCAFLQTC-ZDUSSCGKSA-N 426.450 4.352 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 766108864 JVZPOFVCIMXMLU-URXFXBBRSA-N 448.567 4.322 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@@H](C)C[C@@H](O)c3ccc(F)cc3)cc2[N+](=O)[O-])CC1 766726432 YYMFHAXMRNNOML-KSFYIVLOSA-N 429.492 4.212 5 20 IIBD CN(c1ccccc1)c1ccc(CN2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)cc1[N+](=O)[O-] 770392199 RTZPXONJCNLXLU-XUZZJYLKSA-N 435.528 4.184 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 772489728 XFFITQWWUPANDI-UHFFFAOYSA-N 426.248 4.132 5 20 IIBD O=C(CSc1ncnc2sccc12)OCc1ccc(Br)c([N+](=O)[O-])c1 773382694 SIFCQMHYFBGUEQ-UHFFFAOYSA-N 440.300 4.198 5 20 IIBD COc1cc(/C=C(\C)c2cnccn2)ccc1OS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 774133679 GJUSKKDGYSYRBY-XNTDXEJSSA-N 441.465 4.030 5 20 IIBD C[C@H](OC[C@@H]1CCCCO1)C(=O)O[C@@H](c1ccc(Br)cc1)C(C)(C)[N+](=O)[O-] 774367279 GOUFPDUUVBTDKP-JQFCIGGWSA-N 444.322 4.063 5 20 IIBD CCc1nc2ccccc2n1[C@@H]1CCCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 776572395 WPQOQXMXPJFJKK-OAHLLOKOSA-N 438.484 4.001 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl 778807074 VNUVWBPGCIMHSQ-ZDUSSCGKSA-N 438.889 4.015 5 20 IIBD O=C(Oc1ccc(-c2noc([C@H]3CCCO3)n2)cc1)c1cc([N+](=O)[O-])ccc1OC(F)F 779207129 WISJEYVFGHRHNF-MRXNPFEDSA-N 447.350 4.317 5 20 IIBD CCN(CC)C(=O)C1=C(C)N(Cc2cccs2)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])s1 782247045 LHWQZDRPFMVDOJ-QGZVFWFLSA-N 434.543 4.127 5 20 IIBD CC(C)(C)OC(=O)NCc1cc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc(C(F)(F)F)c1 787679134 LWJSNSQVMYBJIX-UHFFFAOYSA-N 428.367 4.219 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(I)c1)c1c(Cl)cccc1[N+](=O)[O-] 788109621 DWSUDXFTJSQXLM-UHFFFAOYSA-N 447.572 4.013 5 20 IIBD O=C(NCc1cccc2cccnc12)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 790696885 KUZBSBFXLOPRLJ-UHFFFAOYSA-N 441.285 4.173 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)OC[C@@H]1CCC[C@@H](O)C1 795296115 PEYQPDUXEUFNRF-VGOFRKELSA-N 435.480 4.084 5 20 IIBD O=C(NC[C@@H]1CCCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1)OCc1ccccc1 797607245 KZUZCIRNWYHLNU-INIZCTEOSA-N 446.891 4.419 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)OCCCc2cscn2)cc1[N+](=O)[O-] 799656882 PNZHTHFNHIQURJ-UHFFFAOYSA-N 439.493 4.138 5 20 IIBD O=C(Nc1ccc(OCC(F)(F)F)c(Cl)c1)c1cc([N+](=O)[O-])cc2c1OCCO2 800134962 WXJHHJQGNPLSPK-UHFFFAOYSA-N 432.738 4.213 5 20 IIBD COCc1ncc(C(=O)O[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)s1 803901564 XOKOLRBVSVIOAM-IBGZPJMESA-N 441.465 4.043 5 20 IIBD O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc(-c3ccc(OC4CCOCC4)cc3)no2)c1 809404360 HYHLYZDXAWGJQL-UHFFFAOYSA-N 436.468 4.470 5 20 IIBD O=C(c1ccccc1)N1CCCC[C@H]1c1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 809434265 VKAQKVVTSNECPI-FQEVSTJZSA-N 431.452 4.417 5 20 IIBD Cc1cc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c(C(=O)NCC(F)(F)F)cc1F 813290550 INEQCRWEACVOSH-SNVBAGLBSA-N 445.344 4.216 5 20 IIBD C[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1Br 816796745 NEQREWWJHVPQRZ-LBPRGKRZSA-N 444.326 4.171 5 20 IIBD O=C(NCc1nc2cc(Br)ccc2o1)c1cc([N+](=O)[O-])ccc1N1CCCC1 819847809 HICUCCZPIOZBKY-UHFFFAOYSA-N 445.273 4.029 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2nc3ccc(Br)cc3s2)cc1[N+](=O)[O-] 904798465 PYBNNXYOICPRCL-UHFFFAOYSA-N 437.231 4.436 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 914722047 VNKFACWTCBDOSW-OAHLLOKOSA-N 444.221 4.423 5 20 IIBD C[C@@H](Cc1ccco1)NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 914744903 DXIYJOCXVISNSR-ZDUSSCGKSA-N 425.407 4.170 5 20 IIBD CSc1ccc(C(=O)OCC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-] 918816989 FFOXDTBGQZCZSR-ZDUSSCGKSA-N 428.466 4.439 5 20 IIBD CC1=NN(c2ccc(C(=O)O[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2)CC1 919143077 XTNOJIRIRXDZBQ-ZDUSSCGKSA-N 430.848 4.018 5 20 IIBD C[C@H](OC(=O)Cc1csc(NC(=O)Cc2cccs2)n1)c1ccccc1[N+](=O)[O-] 920267024 FQRQTJXBVALWAX-LBPRGKRZSA-N 431.495 4.141 5 20 IIBD COC(=O)c1oc(COC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1C 920546074 UIBSOMXAQYBZQD-CQSZACIVSA-N 439.424 4.208 5 20 IIBD C[C@@H](OC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(OC(F)F)cc1 920551636 BTIROIJLWZBPMY-GFCCVEGCSA-N 445.378 4.025 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC1CCN(c2cccc(F)c2)CC1 1256115965 KFMTWVFFHWKRHE-UHFFFAOYSA-N 440.397 4.221 5 20 IIBD COc1cc(C(=O)Nc2cccc(OC)c2Br)c([N+](=O)[O-])cc1OC(F)F 1320460962 FIONPUYEWATVQR-UHFFFAOYSA-N 447.188 4.228 5 20 IIBD Cc1cc(-c2nnc(-c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)o2)c2ccccc2n1 1328070100 KJPZQUHDGTVSDO-UHFFFAOYSA-N 445.464 4.448 5 20 IIBD CC(C)n1nc(-c2nnc(-c3cc([N+](=O)[O-])ccc3OC(F)F)o2)c2ccccc2c1=O 1329263417 RKLZWWRLKIWDPJ-UHFFFAOYSA-N 443.366 4.204 5 20 IIBD CC(C)[C@]1(CO)CCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 1343483657 GGWBTAFJDSMXRE-RBBKRZOGSA-N 431.920 4.268 5 20 IIBD Cn1ccnc1CCNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 1347514956 RNDIZOZVBKSMTE-UHFFFAOYSA-N 439.522 4.062 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]3F)CCC2)cc1 1786598924 HFRYQEPXWAQHPV-UXHICEINSA-N 425.460 4.020 5 20 IIBD COc1cc(C(=O)NC2(c3ccc(NC(=O)[C@]4(C)C[C@@H]4C)cc3)CCC2)ccc1[N+](=O)[O-] 1790425531 FALHRFREZRZARH-NPMXOYFQSA-N 437.496 4.397 5 20 IIBD Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2cccc([N+](=O)[O-])c2)c(Cl)c1 1792480980 OUVLNLXFEAOKGW-BCDXTJNWSA-N 441.915 4.051 5 20 IIBD Cc1c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(F)CC3)[nH]n2)cc(Cl)cc1[N+](=O)[O-] 1821292355 BYIZJLJDQCTIMC-OAHLLOKOSA-N 449.870 4.088 5 20 IIBD CC(C)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 1831381614 GCHCCTNFHPPEFR-JOCHJYFZSA-N 447.551 4.332 5 20 IIBD CC(C)C1(C(=O)N2CC3(CCCN3C(=O)C3(c4cccc([N+](=O)[O-])c4)CCC3)C2)CCC1 1845144052 OLQICHMIOROKRY-UHFFFAOYSA-N 439.556 4.046 5 20 IIBD Cc1ccc(CC(=O)N2CC3(CCCN3C(=O)[C@H]3CC[C@H](C(C)C)CC3)C2)cc1[N+](=O)[O-] 1846079726 GHCPSJJMZBESNF-MEMLXQNLSA-N 441.572 4.112 5 20 IIBD O=C(OCc1nnc(-c2ccc(Br)o2)o1)c1cc([N+](=O)[O-])ccc1Cl 10665424 SZMMIBMXFCGFKB-UHFFFAOYSA-N 428.582 4.011 5 20 IIBD O=C(COC(=O)c1ccc(Br)cc1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 11081849 RTFAZJJBXXKNIC-UHFFFAOYSA-N 447.163 4.172 5 20 IIBD CCOc1ccc(NC(=O)COc2ccc(Cl)cc2Br)c([N+](=O)[O-])c1 28829167 NHNDIBKBLVUPIO-UHFFFAOYSA-N 429.654 4.427 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc3nc(NC(C)=O)sc3c2)cc1[N+](=O)[O-] 58446678 LEYSEVOONLNYKP-UHFFFAOYSA-N 446.510 4.043 5 20 IIBD Cc1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1N1CCCC1 110323171 SDKBGAYBLUXPTN-JOCHJYFZSA-N 436.512 4.055 5 20 IIBD O=[N+]([O-])c1ccc2nc(Sc3nnc(N4CCCC4)n3Cc3ccco3)sc2c1 111193237 YERSEDFRVMVAGX-UHFFFAOYSA-N 428.499 4.189 5 20 IIBD CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)CCn2cc([N+](=O)[O-])nc2C)c1 116173221 VDMUKQSPFMMPOZ-KRWDZBQOSA-N 449.511 4.238 5 20 IIBD Cc1nn(C)c(C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)c1[N+](=O)[O-] 195595661 GVSIEROGKDXZNN-UHFFFAOYSA-N 426.285 4.243 5 20 IIBD CCc1cc(N2CCCN(C(=O)c3cccc(F)c3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 301068837 GGAAVPZHAFPMDS-UHFFFAOYSA-N 449.486 4.106 5 20 IIBD C[C@H]1C[C@@H](C)CN(Cc2ccccc2CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 301919534 CFKGNYWUAPCIBE-GASCZTMLSA-N 437.587 4.150 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCCc2ccc(C(C)(C)C)cc2)ccc1[N+](=O)[O-] 303145561 MWJVMKDYPMBMCZ-JOCHJYFZSA-N 437.540 4.164 5 20 IIBD Cc1nn(CCC(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)c(C)c1[N+](=O)[O-] 303151223 NSELWSRNJPTBMV-QBHLMBNYSA-N 430.508 4.212 5 20 IIBD Cc1cc(OCC(=O)N[C@@H](c2ccccc2)c2nc3ccccc3n2C)ccc1[N+](=O)[O-] 430401855 LFXOFLONLSTSAR-QHCPKHFHSA-N 430.464 4.075 5 20 IIBD Cc1ccccc1[C@@H](NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)C(C)(C)C 431609716 NWPYBDHRHWBHJW-LJQANCHMSA-N 444.557 4.220 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nnc([C@@H]2CCCc3ccccc32)s1 432536570 CRHLOICZTQVFQM-MRXNPFEDSA-N 430.511 4.024 5 20 IIBD O=[N+]([O-])c1ccc(Nc2cccc(C(F)(F)F)c2)c(NC[C@H]2CCS(=O)(=O)C2)c1 432693091 APJGWCGUVITQLK-GFCCVEGCSA-N 429.420 4.204 5 20 IIBD C[C@@H](CN(C)c1nc(N(C)C[C@@H](C)c2nccs2)ccc1[N+](=O)[O-])c1nccs1 433770940 LEDQOLQFLKJHQO-KGLIPLIRSA-N 432.575 4.383 5 20 IIBD Cc1c(C)c(C)c(CNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c(C)c1C 435288746 KVHYTFALYQGZLM-GOSISDBHSA-N 429.542 4.119 5 20 IIBD CN1CCO[C@@H]([C@@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 436387881 RPWQFFXQTQFKDI-WBVHZDCISA-N 430.814 4.146 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2cccc(Oc3ccccn3)c2)cc1[N+](=O)[O-] 437480503 WAGBMIXJLLJSQR-UHFFFAOYSA-N 448.464 4.314 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@@H](C)c2cncs2)c([N+](=O)[O-])c1 439135232 XFAUSNODWLRWNT-AWEZNQCLSA-N 432.527 4.440 5 20 IIBD Cc1ccc(CNc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])c(OC(C)(C)C)c1 441784138 FHMGSIYFLAPOEE-UHFFFAOYSA-N 427.501 4.165 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](Oc2ccccc2Cl)C1 443644257 UMJAGMYDPGIXNQ-MRXNPFEDSA-N 433.892 4.129 5 20 IIBD CSc1cccc([C@@H](NC(=O)c2cnc(O)c([N+](=O)[O-])c2)c2ccc(F)c(F)c2)c1 444993209 QFDIHCFAOYZZPO-GOSISDBHSA-N 431.420 4.215 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(CC(F)(F)F)[C@@H]1CCCOC1 446218445 SAUBBIDVRYMYDD-LLVKDONJSA-N 446.369 4.276 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCn3c(cc4c(Cl)cccc43)C2)c(C)c([N+](=O)[O-])c1 446265111 CNKNLDQPIAWBQH-UHFFFAOYSA-N 442.859 4.346 5 20 IIBD CCCOc1ccc2c(c1)CCN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C2 447029762 MODMAAKCINKCHL-UHFFFAOYSA-N 444.431 4.149 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cccc(-c3noc(C(F)(F)F)n3)c2)c1 447261092 RXLZLQBJQQVHSQ-UHFFFAOYSA-N 442.375 4.081 5 20 IIBD Cn1cnnc1-c1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1 447351539 ZNHPZBYSRROKGB-UHFFFAOYSA-N 429.436 4.222 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CCCN(C(=O)c2ccncc2)C1 460128923 HPQVUZDRGKDOIL-GOSISDBHSA-N 446.463 4.273 5 20 IIBD CC(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 460608571 RXHLZPINBQGKNE-UHFFFAOYSA-N 445.321 4.163 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1 462488790 JBFUTLLCCFEBMD-PGRDOPGGSA-N 445.947 4.007 5 20 IIBD Cc1cccc(Oc2cc(CNS(=O)(=O)c3c(F)cccc3[N+](=O)[O-])ccn2)c1C 462664337 TYTOFKIMUSKQCH-UHFFFAOYSA-N 431.445 4.017 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@](CO)(Cc2ccccc2)C1 462899184 YXCSPLJXMWVNAR-QHCPKHFHSA-N 437.521 4.176 5 20 IIBD C[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CCN1C(=O)Cc1cccc(Cl)c1 462942370 KFJJEDHCVPEMJP-CYBMUJFWSA-N 439.846 4.129 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@@H](c1cccc(F)c1)C1CCCC1 465258969 MPEAEWGKENTZTI-JOCHJYFZSA-N 441.459 4.470 5 20 IIBD C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N(C)Cc1cc(Cl)cn1C 466963028 ZAOASZKQPNNYLK-GFCCVEGCSA-N 433.921 4.169 5 20 IIBD O=C(NCc1nc(-c2ccccc2F)cs1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 468207396 VZUWHTXKCHTYIM-UHFFFAOYSA-N 426.473 4.388 5 20 IIBD CN(Cc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1N)C(=O)c1cc2ccccc2o1 468675380 XWDVOPCQAJDHPK-UHFFFAOYSA-N 444.447 4.448 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 469312651 ZDYDXWYXAOSOQF-OAHLLOKOSA-N 448.508 4.441 5 20 IIBD Cc1coc(-c2ccc(C)c(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)n1 470145451 VFPZPJKOTHSLDG-OAQYLSRUSA-N 448.479 4.418 5 20 IIBD COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)c(OCCOC(C)C)c1 475814527 QFQHTMMDGXTCOD-UHFFFAOYSA-N 425.441 4.208 5 20 IIBD COc1cc(C(=O)N2CCCC[C@@H]2[C@H](C)O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 476208066 UWLBGECEGSXJRE-XJKSGUPXSA-N 434.876 4.425 5 20 IIBD COc1ccc(-c2ccc(CNC(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)s2)cc1 476610031 WWLDRUNZOWPLMG-UHFFFAOYSA-N 445.884 4.240 5 20 IIBD COc1cc(C(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc([N+](=O)[O-])c1C 479074432 ZVTOJZWDLFXVJA-UHFFFAOYSA-N 449.866 4.195 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)cc1[N+](=O)[O-])c1ccccn1 481015776 PJOWLCFRAYGEBF-LUQKVYGDSA-N 426.517 4.486 5 20 IIBD COc1cc(CN[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F 481182092 OTEYLZSCNFXCGC-YJBOKZPZSA-N 435.471 4.205 5 20 IIBD CCC[C@H](C)C(=O)NCCNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 482361717 KNKXDOYOYTXKJK-AWEZNQCLSA-N 433.892 4.323 5 20 IIBD Cc1cc(Br)c(O)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1 482696270 RJIOJIUZTYBBBL-UHFFFAOYSA-N 444.079 4.315 5 20 IIBD Cc1nc2ccccc2c2c(NC(=O)[C@@H]3CC34CCS(=O)(=O)CC4)c3ccccc3n12 484521846 AMJYUDGASWENSY-SFHVURJKSA-N 433.533 4.103 5 20 IIBD Cc1cc(CN(CC(C)C)C(=O)CCc2cccc([N+](=O)[O-])c2)nc(N2CCCCC2)n1 486016637 MZQALWWRELEKDM-UHFFFAOYSA-N 439.560 4.301 5 20 IIBD CCc1ccc(C(=O)N[C@H](c2cc(OC)c(OC)c(OC)c2)C(F)(F)F)cc1[N+](=O)[O-] 492061832 CIFTXPSAEPDGLX-GOSISDBHSA-N 442.390 4.216 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](c1ccccc1OC(F)F)C(F)(F)F 492379972 ZWXQLTCWTQTILB-MRXNPFEDSA-N 433.333 4.336 5 20 IIBD O=[N+]([O-])c1cnc(NC[C@H](CO)Cc2ccccc2C(F)(F)F)c(Br)c1 493544562 LRROAOIUDMREFR-SNVBAGLBSA-N 434.212 4.034 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cnccc2Oc2ccccc2)cc1OC 499602537 CDDHANYEWOTCPK-UHFFFAOYSA-N 439.424 4.068 5 20 IIBD CC[C@H](CSc1ccccc1)NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 501689849 AKGLVFCHNLGFCE-OAHLLOKOSA-N 443.554 4.175 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3nnc(-c4ccccn4)s3)cc2[N+](=O)[O-])C1 502873501 BEBPIRQZPIEZFI-OKILXGFUSA-N 438.513 4.243 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)N[C@@H](CCc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 503004891 XNSUTBNMVGDIHR-FQEVSTJZSA-N 438.505 4.102 5 20 IIBD CCCC[C@H](NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccc(OC)cc1 503781329 SGSKAVSSDRBQPA-QFIPXVFZSA-N 426.517 4.367 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cc[nH]c3C(C)C)cc2)cc1[N+](=O)[O-] 504627833 QKENOLKTLAGQOK-UHFFFAOYSA-N 442.497 4.408 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](NCc1cnn2ccccc12)c1ccccc1 507272961 ONSZAEIFYRPDFM-NRFANRHFSA-N 435.871 4.366 5 20 IIBD COCc1nc(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c(-c2ccccc2)s1 508363806 VMCWJACZLNUNEG-UHFFFAOYSA-N 449.435 4.396 5 20 IIBD Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)N(C)C 508902877 XEAZQGNNSFIHHS-JPYJTQIMSA-N 440.544 4.147 5 20 IIBD O=C(CN[C@H](c1cccc2ccccc12)C(F)(F)F)Nc1cc2c(cc1[N+](=O)[O-])OCO2 510423601 GCRZIMZZUNQPGV-HXUWFJFHSA-N 447.369 4.308 5 20 IIBD Cc1c(Br)cc(C(=O)N(C)CCCc2nc3ccccc3[nH]2)cc1[N+](=O)[O-] 511479290 ANESTVGMPVXFPZ-UHFFFAOYSA-N 431.290 4.247 5 20 IIBD CCn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 512346784 ONWRECKOLXLTNA-RXVVDRJESA-N 426.448 4.362 5 20 IIBD CCCc1nc(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)nn1-c1ccccc1Cl 512961487 SCRQNJOWCKAOPJ-UHFFFAOYSA-N 427.892 4.096 5 20 IIBD Cc1nc(COc2ccc(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)cc2)no1 517440210 IBSOGJVUJJEVDZ-UHFFFAOYSA-N 437.437 4.241 5 20 IIBD CCOc1ccc([C@@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2CC)c2ccccc2)cc1 519786829 ARYZVRUKNXLYAH-QHCPKHFHSA-N 447.491 4.400 5 20 IIBD COc1cc(OCC(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)ccc1[N+](=O)[O-] 520565734 BRELPTVPFCTSAH-UHFFFAOYSA-N 435.436 4.182 5 20 IIBD O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 521017470 YQSZFHVHFDOIPZ-IBGZPJMESA-N 428.448 4.056 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1ccc(OCCc2ccccc2)nc1 522982882 JPHFXZPJENJBIM-INIZCTEOSA-N 436.468 4.059 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 523548077 ZHKNUUVURDPMRP-INIZCTEOSA-N 443.656 4.364 5 20 IIBD COc1ccccc1-c1nnc(SCCn2cc([N+](=O)[O-])cn2)n1-c1ccc(C)cc1 525082441 HBPBJMZJAHUUNP-UHFFFAOYSA-N 436.497 4.148 5 20 IIBD Cc1c(C(=O)N2CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)CC2)sc2ccccc12 525467470 LUKSRCSRNSXPQY-UHFFFAOYSA-N 448.504 4.197 5 20 IIBD COc1cc(C(=O)N2CCc3ccccc3[C@H]2C)c([N+](=O)[O-])cc1OCc1cscn1 531132352 BPGHCYSTEPMCBO-CQSZACIVSA-N 439.493 4.398 5 20 IIBD CN1CC[C@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)[C@@H]1c1ccc(Cl)c(F)c1 534230627 YQISTYBKMWSJAL-ZHRRBRCNSA-N 444.894 4.151 5 20 IIBD CC[C@@H](NC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1)[C@H]1CCCO1 535142556 LJEFBUXRDBDOFU-IEBWSBKVSA-N 428.510 4.235 5 20 IIBD CCN(CC)C(=O)c1ccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1Cl 535359701 RAIPHVZUTQWDOB-UHFFFAOYSA-N 428.876 4.393 5 20 IIBD CSc1ccc(N(C)C(=O)c2cc(I)cc([N+](=O)[O-])c2)cc1 535734952 BDZNLOJTNFQDOM-UHFFFAOYSA-N 428.251 4.198 5 20 IIBD CC1(C)CC[C@H](CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c2ccccc21 537667217 NJSRYGYHPJTEPO-CYBMUJFWSA-N 447.438 4.106 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NC[C@@H]3CCO[C@H](C)C3)c([N+](=O)[O-])c2)c(C)c1 537823830 STUAUXSJODXAII-IAGOWNOFSA-N 433.530 4.239 5 20 IIBD CCOC(=O)c1cc(N2[C@H]3CC[C@H]2CC(N(C)C(=O)c2ccccc2)C3)ccc1[N+](=O)[O-] 538511802 KNXGKROHHPFIJC-ROUUACIJSA-N 437.496 4.044 5 20 IIBD COc1cc(C(=O)Nc2ccc3sc(C(=O)O)cc3c2)c([N+](=O)[O-])cc1OC(F)F 538728670 PFSYTWMRSPWBKV-UHFFFAOYSA-N 438.364 4.370 5 20 IIBD C[C@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 538729056 NHJJSMUSVVJXTA-ZIAGYGMSSA-N 426.922 4.294 5 20 IIBD COc1ccc(CNc2ccc(C)c(-n3cnnn3)c2)cc1OCc1ccc([N+](=O)[O-])cc1 538837853 IAFWFXKJLWAWLU-UHFFFAOYSA-N 446.467 4.079 5 20 IIBD O=C(NCc1ccc2nc(O)[nH]c2c1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 542680435 NKSPKZRZUSZMSL-UHFFFAOYSA-N 426.498 4.389 5 20 IIBD COC(=O)[C@@H](NC(=O)CSc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl 543209767 UOHWOHDYVZIUKN-INIZCTEOSA-N 429.281 4.024 5 20 IIBD CC12CC3(C)CC(C)(C1)CC(C(=O)N1CCN(C(=O)c4ccc([N+](=O)[O-])s4)CC1)(C2)C3 544923250 PIIAGQBXDYDULZ-UHFFFAOYSA-N 445.585 4.327 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)n1 545693570 AHOLROGZWDKXPG-UHFFFAOYSA-N 439.431 4.378 5 20 IIBD COCc1nc(OC)c2c(C)c(-c3nc(Cc4ccc([N+](=O)[O-])c(C)c4)no3)sc2n1 545849964 PMLDKZWEULIMMT-UHFFFAOYSA-N 441.469 4.012 5 20 IIBD Cc1c(Cc2noc(-c3ccc4c(c3)nc(O)n4CC(F)(F)F)n2)cccc1[N+](=O)[O-] 546486410 MDITWWXBBLUQPJ-UHFFFAOYSA-N 433.346 4.162 5 20 IIBD COCc1nc(OC)c2c(C)c(-c3nc(-c4ccc([N+](=O)[O-])cc4C)no3)sc2n1 547107018 QBLSXODBRPBZLZ-UHFFFAOYSA-N 427.442 4.088 5 20 IIBD CC(C)[C@@H](Sc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C)C(=O)Nc1ccccc1Cl 547252506 PXZNVJRHNJLRDL-QGZVFWFLSA-N 446.916 4.251 5 20 IIBD CC(=O)c1cc(Br)ccc1OCC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 556879239 QHHDIJKBQAFBTJ-LBPRGKRZSA-N 435.274 4.125 5 20 IIBD C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(OC(F)F)cc1 561087172 YQPDLVHKPAXKQK-JTQLQIEISA-N 444.232 4.248 5 20 IIBD CC(C)c1ccc(C(=O)N[C@H](CO)c2ccc(Br)c(F)c2)cc1[N+](=O)[O-] 561775068 DRSSLWAFUIRYDM-MRXNPFEDSA-N 425.254 4.083 5 20 IIBD Cc1cnc(-c2cnn(C)c2NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)o1 578369103 VDFRDXAEMULNDQ-OKILXGFUSA-N 438.488 4.026 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(Oc2nc(C)cs2)c(F)c1 581147330 WGMCZJRXMLEBHY-CQSZACIVSA-N 448.480 4.162 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1 581961593 GVCGUTNDPKNQRP-KSSFIOAISA-N 441.381 4.330 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 582083028 FDEKKPRGIINNNX-KZULUSFZSA-N 425.268 4.269 5 20 IIBD O=[N+]([O-])c1cccc(CN(c2nnc(-c3ccccn3)n2Cc2ccccc2)C2CC2)c1 584562949 NICPIGGQESORJI-UHFFFAOYSA-N 426.480 4.466 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NCCN1CCCC1 592473761 MNAFFRHQPTYSDG-OBGWFSINSA-N 436.537 4.347 5 20 IIBD COc1ccc([C@@H](C)N(C)C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 603500867 QGLQYZKZFWFAFI-CYBMUJFWSA-N 440.422 4.437 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Nc1cccc(C(F)(F)F)c1)[C@@H]1CC(=O)N(C2CC2)C1 603847660 KQVOHLUITJZSIL-GFCCVEGCSA-N 448.401 4.307 5 20 IIBD C[C@H](C1CC1)N(C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1cccc(C(F)(F)F)c1 603964316 DDPSJNQTOXTVLY-GFCCVEGCSA-N 449.385 4.353 5 20 IIBD COc1ccc(CSCC(=O)Nc2cc(-c3nc(C)no3)ccc2C)cc1[N+](=O)[O-] 603987426 KMYWJPQVXUDPMZ-UHFFFAOYSA-N 428.470 4.142 5 20 IIBD COCCOc1ccccc1CNC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 604199701 TWCAVDNUQRNVSV-ROUUACIJSA-N 441.528 4.032 5 20 IIBD CCOc1cc(C(=O)NC[C@H]2CCN(c3cc(Cl)ccc3C)C2)c([N+](=O)[O-])cc1OC 608818770 DEJZCRDKIYGGPN-OAHLLOKOSA-N 447.919 4.220 5 20 IIBD CC(C)CCSc1ccc(C(=O)NCCCc2nnc3n2CCCCC3)cc1[N+](=O)[O-] 608992063 PXQJKQGKMLQXPO-UHFFFAOYSA-N 445.589 4.414 5 20 IIBD CCc1noc(-c2ccc(CCNC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)cc2)n1 609023643 PGAHDRLLZLJLIJ-UHFFFAOYSA-N 449.492 4.303 5 20 IIBD O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1 609066167 LENROKMOWRPSOD-UHFFFAOYSA-N 434.374 4.418 5 20 IIBD C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 609392603 FORICGKQJMHKAF-SNVBAGLBSA-N 444.702 4.032 5 20 IIBD CC[C@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)O1 609530807 GWTQYKCAXOOTBU-HIFRSBDPSA-N 431.876 4.140 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCC(c1ccccc1)c1ccccc1 609840533 NVHZABVLZJRTFM-OAQYLSRUSA-N 435.528 4.166 5 20 IIBD C[C@@H](C(=O)O)N(C)C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 610891816 AVFVMVXSNCYOQZ-WZMONFQBSA-N 425.466 4.067 5 20 IIBD CN(C[C@@H](O)COCc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611215894 YBYPZXLWRYODHF-LJQANCHMSA-N 444.553 4.279 5 20 IIBD COc1cc(CN2CC[C@@H](Oc3cccc(F)c3)C2)c([N+](=O)[O-])cc1OCC(F)F 612174716 MWFWRMSJBAKAPN-MRXNPFEDSA-N 426.391 4.040 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC[C@@H]1c1ccccc1Br 612679038 UCWQHKXDWPQRGK-QGZVFWFLSA-N 425.304 4.024 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1 619475188 USTAYQWLVHGKTC-LBPRGKRZSA-N 433.511 4.075 5 20 IIBD CC(C)(C)OC(=O)N1CCC(N(C(=O)CSc2ccccc2[N+](=O)[O-])C2CC2)CC1 725720123 VXTQFVKHUMKWSG-UHFFFAOYSA-N 435.546 4.077 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1ccc(CCNC(=O)OC(C)(C)C)cc1 725875574 VWFCGOCEGRSTAR-UHFFFAOYSA-N 442.516 4.004 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1 726916232 OIQFQGVGJVZMBB-SSGOSMAHSA-N 431.851 4.420 5 20 IIBD Cn1c(C(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)c(Cl)c2ccccc21 729191944 AJRDSGMWJJMMAD-UHFFFAOYSA-N 428.876 4.208 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 731038267 OUYKTVNBJBQYCV-VBKZILBWSA-N 426.448 4.291 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccccc2CN(C)C(=O)OC(C)(C)C)cc1C 732525672 AQNGXQLLJFFDGR-UHFFFAOYSA-N 449.529 4.379 5 20 IIBD COC(=O)Cc1sc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)nc1-c1ccccc1 732576016 UPYAIVAOCTYRJI-UHFFFAOYSA-N 431.857 4.340 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OC[C@H]2CCCN(Cc3ccccc3)C2)cc1SC 734298861 LUSDUKUQTIGPBH-KRWDZBQOSA-N 430.526 4.394 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(c2ncnc3sccc23)C1 742686708 RCCSBLSUAHNJJD-LBPRGKRZSA-N 431.905 4.416 5 20 IIBD CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 743781156 CBXXBMYNGJNZFL-NRFANRHFSA-N 436.556 4.179 5 20 IIBD COc1ccc2[nH]cc(C3CCN(C(=O)COc4ccc([N+](=O)[O-])c(F)c4)CC3)c2c1 745867706 HQPPTEXVBGRNRX-UHFFFAOYSA-N 427.432 4.009 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1ccc2ccccc2c1 746606823 BTDJAWSPQQRBQT-LSDHHAIUSA-N 440.427 4.075 5 20 IIBD Cc1ccc(-c2cc(C(=O)OCCn3cc([N+](=O)[O-])cn3)c3cnn(C(C)C)c3n2)s1 748111832 VGGHVVIDDUIHBN-UHFFFAOYSA-N 440.485 4.011 5 20 IIBD CC(C)c1nc(C(=O)OCCOc2cccc([N+](=O)[O-])c2)nn1-c1ccccc1Cl 748418635 HPWCVDPDUFDLPT-UHFFFAOYSA-N 430.848 4.188 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)c1nc(CC)n(-c2ccccc2Cl)n1 748489392 DLPKXACFFIBOBC-UHFFFAOYSA-N 430.848 4.147 5 20 IIBD O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 748658863 HXKVXMCGCXCSOL-UHFFFAOYSA-N 443.916 4.239 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2csc3cncn23)c2ccccc2)c([N+](=O)[O-])c1 749377753 NNXZQQOOYIERTC-IBGZPJMESA-N 436.449 4.149 5 20 IIBD COc1cc(C(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)ccc1OCC(C)C 750434674 LRAUMJSDKMNVOL-UHFFFAOYSA-N 443.500 4.107 5 20 IIBD CCN(Cc1cccc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])c1)C(=O)C(F)(F)F 750564607 LYPKGPZXFFYHJY-UHFFFAOYSA-N 431.317 4.036 5 20 IIBD COc1c(C)cnc(CN(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)c1C 750854511 NHBCNOSTIUXLAA-UHFFFAOYSA-N 442.697 4.303 5 20 IIBD O=C1[C@@H](Nc2ccc(OC(F)F)cc2OC(F)F)CCN1c1cccc([N+](=O)[O-])c1 751271681 QDVLHOGVTUXBHS-AWEZNQCLSA-N 429.326 4.015 5 20 IIBD CC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1 751637528 ZNGXHWLEPILLTL-LLVKDONJSA-N 436.873 4.113 5 20 IIBD CN(C)C(=O)Sc1cccc(COC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 752531590 JYJUGSWLEXHSLB-UHFFFAOYSA-N 429.498 4.326 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)ns2)ccc1Cl 753690637 FVGGFEOZIFRTQU-UHFFFAOYSA-N 431.282 4.221 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCO[C@H](c2ccccc2Cl)C1 754968962 SXNUNPZUFZGPOX-HNNXBMFYSA-N 443.656 4.364 5 20 IIBD COc1cc(COC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c([N+](=O)[O-])cc1OC(F)F 755068008 UNOHVKDRBNGXPZ-VIFPVBQESA-N 444.318 4.099 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccccc1)C[C@H](O)c1cccs1 755747154 GKPCLXBRBYWOSI-SFHVURJKSA-N 427.482 4.433 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 757270992 FRTNKAZPDCLCED-UHFFFAOYSA-N 437.066 4.463 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)cc1[N+](=O)[O-] 758505624 NZLUIEOVAYIXSA-UHFFFAOYSA-N 443.872 4.296 5 20 IIBD Cc1c(C(=O)N[C@H](c2ccc(Cl)cc2)c2ccn(C)n2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 762485686 NENWUHJLDVJGCV-GOSISDBHSA-N 443.847 4.026 5 20 IIBD C[C@H](C(=O)O[C@H](C)C(=O)N(C)Cc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 763401406 GHLYZWPWEBOFKD-UONOGXRCSA-N 449.301 4.051 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCO[C@@H](c3cccc(F)c3)C2)c1=S 764965860 YNCFJDCLLANFGT-LJQANCHMSA-N 443.504 4.179 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(NC3CCN(Cc4ccc(F)c(F)c4)CC3)CC2)cc1 765148960 ZQFHIUQQUJPGHD-UHFFFAOYSA-N 430.499 4.096 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 765841587 RCCFIEFEYRPKTO-IEBWSBKVSA-N 447.557 4.206 5 20 IIBD Cc1ccsc1C(=O)Nc1ccc(OS(=O)(=O)CCc2ccccc2[N+](=O)[O-])cc1 766801049 VZBBRKAHLYKGLQ-UHFFFAOYSA-N 446.506 4.168 5 20 IIBD C[C@H](C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(Br)cc1 767000607 FTLZDOSIDYWYSZ-NSHDSACASA-N 432.230 4.254 5 20 IIBD Cc1cc(C(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)c(C)nn1 767202727 PMGBWLJLHPCKBI-UHFFFAOYSA-N 426.816 4.127 5 20 IIBD CC(=O)Nc1ccc(Cl)c(C(=O)OCc2ccc([N+](=O)[O-])cc2Br)c1 768177401 UAXRYHJVTRNRQI-UHFFFAOYSA-N 427.638 4.326 5 20 IIBD COc1cccc(C(=O)O[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 769605944 WZGDFPDUSUUUAY-GHMZBOCLSA-N 441.267 4.333 5 20 IIBD O=C1COc2ccc(NCc3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)cc2N1 770486250 YQYUXVNBLDFAJW-UHFFFAOYSA-N 441.447 4.391 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc(COC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 773120758 JROKQKUJQHOEAS-UHFFFAOYSA-N 430.413 4.070 5 20 IIBD CCOc1ccc(C(=O)N2CCCCC2)cc1NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 774936633 BHINAUXIFINTCD-UHFFFAOYSA-N 428.445 4.140 5 20 IIBD Cn1c(COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)nc2ccc(Br)cc21 775167735 BSCKVCGIQRJOGN-UHFFFAOYSA-N 432.274 4.265 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NS(=O)(=O)Cc1c(F)cccc1F 777338963 WWTQMPAFCHKSKI-UHFFFAOYSA-N 444.481 4.025 5 20 IIBD COc1cc(COC(=O)c2cnc(C(C)(C)C)s2)c([N+](=O)[O-])cc1OCC(F)F 780064573 KWFXZCGXBDVLRC-UHFFFAOYSA-N 430.429 4.358 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 780287572 MUJPLWICIFPYKZ-CQSZACIVSA-N 430.482 4.484 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1nnc(-c2cccc(Cl)c2)s1 781644240 KOMKRJCCIFRZLX-UHFFFAOYSA-N 433.833 4.246 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1 785395659 FCLYXIVMXDWSNR-ZETCQYMHSA-N 429.829 4.071 5 20 IIBD C[C@@H]1C[C@H]1c1ccc(CNC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)o1 790674343 RYICKVONBBJCPY-BXUZGUMPSA-N 434.290 4.342 5 20 IIBD CCO[C@@H](CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)c1ccccc1 790848414 WFMIOCZAPXZKDO-IBGZPJMESA-N 448.317 4.203 5 20 IIBD CC(C)[C@H]1C[C@@H](CC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCO1 791173205 BNXWMZJQWBBNPT-SCLBCKFNSA-N 425.323 4.083 5 20 IIBD COc1cc(C(=O)OCc2csc(N(C(C)=O)c3ccccc3)n2)cc([N+](=O)[O-])c1C 791689040 NKQZPYIVXYLGLM-UHFFFAOYSA-N 441.465 4.410 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)Nc2ccc(N3CCCC3)c(F)c2)cc1[N+](=O)[O-] 793043178 RSWULWCSEHABPB-UHFFFAOYSA-N 428.464 4.209 5 20 IIBD O=[N+]([O-])c1ccc2oc(=S)n(CN3CCCC[C@H]3c3nnc(C4CCOCC4)o3)c2c1 795667557 PCCGICBRFWGEPP-HNNXBMFYSA-N 445.501 4.334 5 20 IIBD C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 799223333 HVLXHUIVFSOZIW-GKKDWNQVSA-N 426.311 4.151 5 20 IIBD CCOC(=O)c1cc2cc(S(=O)(=O)Nc3c(F)ccc([N+](=O)[O-])c3C)ccc2s1 800051961 BRVWVESZCYVXBT-UHFFFAOYSA-N 438.458 4.235 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H]1C[C@H]2CCC(C)(C)c3cccc1c32 800622889 QIMFRGBKOFNBIP-DYVFJYSZSA-N 425.460 4.397 5 20 IIBD O=C(COC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)Nc1ccc([N+](=O)[O-])cc1Cl 801898657 RJDLEEIMZRWSQQ-OAHLLOKOSA-N 434.729 4.460 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cc(Br)cnc1OCC1CC1)CC2 808696989 ZVFUNCGKUNWBCD-UHFFFAOYSA-N 432.274 4.052 5 20 IIBD CC(=O)N1CCc2ccccc2[C@H]1CC(=O)OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811042020 MFBIEEVBQUMXMH-GOSISDBHSA-N 437.279 4.481 5 20 IIBD CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2cscc2C(F)(F)F)NC(=S)N1 811674658 YXJMRNBURNSUEP-CQSZACIVSA-N 442.444 4.107 5 20 IIBD CCOc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2Cl)cc1Br 811832173 MGZGTPSYPKHDDM-UHFFFAOYSA-N 435.683 4.210 5 20 IIBD CNC(=O)c1cc(Oc2ccc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])cc2F)ccn1 812314014 VRDDQWMMJNTDRE-UHFFFAOYSA-N 444.806 4.187 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1OCc1cc(Br)no1 813574854 IQSFFFIYDMFDSQ-UHFFFAOYSA-N 429.024 4.235 5 20 IIBD CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c1 814110451 PGGXAEHXOBBPPB-UHFFFAOYSA-N 443.500 4.415 5 20 IIBD COc1ccc([C@@H](NC(=O)COC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C(C)C)cc1 815406868 YQMGUDHWEHLBMC-FQEVSTJZSA-N 434.876 4.236 5 20 IIBD COC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)sc2c1CCCCC2 819050392 GROPETVVEUPNBC-UHFFFAOYSA-N 433.442 4.181 5 20 IIBD Cc1cc(NC(=O)[C@H](C)OC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)ccc1Br 822393294 GMEDXQIKGVDUKC-PRFOUVDFSA-N 433.258 4.249 5 20 IIBD O=C(O)c1cc(Cl)c(Cl)c(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 864236972 DYCPNRRVHLBKSD-UHFFFAOYSA-N 425.633 4.054 5 20 IIBD CCCN(C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)[C@@H](C)c1ccccc1OC 914507507 DZYFZWMCUWKIJK-JKSUJKDBSA-N 443.475 4.095 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1I)N1CCC[C@@H]1c1ccc(F)cc1 915279415 YPELIRHNNIQGIP-MRXNPFEDSA-N 440.212 4.316 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)CCCc2ncc(-c3ccccc3)o2)cccc1[N+](=O)[O-] 915508602 GIVHZCVOOHLKEJ-MRXNPFEDSA-N 437.452 4.451 5 20 IIBD CC(C)c1ccc(SCC(=O)OCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 920149364 ZVSNNHOMXDNHIU-UHFFFAOYSA-N 436.917 4.437 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1115822100 LXIQGFFDMHGUNP-QGZVFWFLSA-N 433.512 4.481 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCO[C@H](c2ccc(Cl)s2)C1 1318941032 GJMJLJHYZXNPKE-IBGZPJMESA-N 438.936 4.470 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(-c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)n1 1320206541 ANLYEOULGIFZBY-UHFFFAOYSA-N 444.403 4.318 5 20 IIBD Nc1c(C(=O)N[C@@H]2CCSc3ccc(F)cc32)cc(Br)cc1[N+](=O)[O-] 1327145472 IRIWNRULCGWFTN-GFCCVEGCSA-N 426.267 4.046 5 20 IIBD O=C(N[C@H]1CN2CCC1CC2)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 1353753041 BCYCBQALBAVDSM-INIZCTEOSA-N 440.550 4.180 5 20 IIBD Cc1c[nH]c(C)c1CCC(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1 1786205466 ICFGQRXOTUAOFC-UHFFFAOYSA-N 449.511 4.248 5 20 IIBD Cc1ccc([C@@H](C)C(=O)NC2(c3ccc(NC(=O)c4n[nH]cc4[N+](=O)[O-])cc3)CCC2)cc1 1789691456 HRLHJHOWQRYINZ-MRXNPFEDSA-N 447.495 4.178 5 20 IIBD CC(C)CC(=O)NC1(c2ccc(NC(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2)CCC1 1790825167 LPKVNEXMBKZXIZ-UHFFFAOYSA-N 435.484 4.265 5 20 IIBD Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)C45CC(C4)C5)cc3)CCC2)cc1[N+](=O)[O-] 1792035537 AWZRHGKGNAPXKO-UHFFFAOYSA-N 433.508 4.380 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3cc[nH]c3c2)[nH]n1)c1ccc([N+](=O)[O-])o1 1814309239 IGFWJPFAGPDMTC-KRWDZBQOSA-N 448.439 4.012 5 20 IIBD C[C@@H]1CCC[C@H]1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)[nH]n1 1818959597 XYRORBUSOJBTHG-MUKKUYKPSA-N 443.479 4.199 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CC=CCC2)[nH]n1)c1cccc(F)c1[N+](=O)[O-] 1821173263 WNIXJVGKBXYZTN-KBXCAEBGSA-N 441.463 4.119 5 20 IIBD CCCCC[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1ccc(Cl)cc1[N+](=O)[O-] 1847543681 MRQNNSPFGNZEBU-SNRMKQJTSA-N 435.952 4.209 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1 9636873 QOWKVVAUESVRQB-UHFFFAOYSA-N 427.461 4.367 5 20 IIBD O=C(Nc1ccc2c(c1)OCO2)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 15117445 YPOCKVCJJMLBJT-UHFFFAOYSA-N 437.374 4.197 5 20 IIBD Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1[N+](=O)[O-] 20991440 NBGGWCNOWFCQHW-JTQLQIEISA-N 441.318 4.014 5 20 IIBD C[C@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCCCC2)cc1 22044186 ULRUZLNWPHHRKM-AWEZNQCLSA-N 431.876 4.423 5 20 IIBD COCCn1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nc2cc(Cl)ccc21 24048576 NNQMVMZWVUHVEA-LBPRGKRZSA-N 434.905 4.364 5 20 IIBD O=C(OCc1c(F)c(F)c(F)c(F)c1F)C1CCN(c2ccccc2[N+](=O)[O-])CC1 24981755 IMCGCLPPEADEBO-UHFFFAOYSA-N 430.329 4.250 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)Cc2csc(-c3cccc(F)c3)n2)cccc1[N+](=O)[O-] 26592264 GDNSGOCBHFVBJX-CYBMUJFWSA-N 443.456 4.279 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)Nc1ccc(Cl)cc1Cl 28612456 BEEAICRVFFKZEP-UHFFFAOYSA-N 438.267 4.297 5 20 IIBD CCCOc1ccccc1Oc1ncccc1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N 58461492 QCXCKEIYIKRCGP-UHFFFAOYSA-N 440.431 4.222 5 20 IIBD O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NCc1ccc([N+](=O)[O-])cc1 59786149 MACPDTJUVGLHPE-UHFFFAOYSA-N 445.504 4.251 5 20 IIBD Cc1ccc(N2C(=O)C[C@H](C(=O)NCc3ccc([N+](=O)[O-])cc3)[C@@H]2c2cccs2)cc1 59786375 NHTJSWOIQOEJHA-SIKLNZKXSA-N 435.505 4.375 5 20 IIBD C[C@@H](OC(=O)c1[nH]c2ccccc2c1Br)C(=O)Nc1cccc([N+](=O)[O-])c1 107536581 XBBZGKQUIMFQSK-SNVBAGLBSA-N 432.230 4.023 5 20 IIBD O=C(Nc1nc2ccccc2n1C1CCCCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 107991737 JZSAQORCCLTDRK-UHFFFAOYSA-N 431.456 4.283 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2oc3ccccc3c2C)cc1OC 107999219 GRXMHVYOSVBTNO-AWEZNQCLSA-N 428.441 4.174 5 20 IIBD CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 110321786 HVONYQBYOMMNTE-QGZVFWFLSA-N 435.933 4.271 5 20 IIBD CCN1CCN(CCCNCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 236944301 XMHPPAVRMJTQPO-UHFFFAOYSA-N 432.952 4.158 5 20 IIBD CCc1cc(N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 301061868 CJANRAVNMMOSFU-QGZVFWFLSA-N 437.544 4.089 5 20 IIBD O=c1c(Cl)c(NCc2coc(-c3cccs3)n2)cnn1-c1ccc([N+](=O)[O-])cc1 301161784 HNYSJGREHGRNLB-UHFFFAOYSA-N 429.845 4.123 5 20 IIBD O=[N+]([O-])c1cnc(Sc2nnc(-c3ccco3)n2Cc2ccco2)c(Br)c1 301654743 AKGAQEBDNOJAOF-UHFFFAOYSA-N 448.258 4.396 5 20 IIBD O=C(Nc1ccccc1-n1cnnn1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 410379662 GNIOQTFJEKWGLP-UHFFFAOYSA-N 436.815 4.269 5 20 IIBD C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 425964750 HCPYFFRHHBPTEV-GFCCVEGCSA-N 426.304 4.076 5 20 IIBD O=C(NCc1cc(Cl)c2c(c1)OCCCO2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 425992796 HMHCGLHEWPEPJT-UHFFFAOYSA-N 431.876 4.284 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H](c1ccc(Cl)cc1)c1cnccn1 427266512 JVIFUPRWLUVDAH-HXUWFJFHSA-N 446.916 4.011 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](c1c(C)nn(-c2ccccc2)c1C)C(F)(F)F 427398070 JHYOKYJSJHUJPP-LJQANCHMSA-N 448.401 4.439 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCn2c(nnc2C2CCCC2)C1 428248137 BEEJTLYFSOYCDK-UHFFFAOYSA-N 433.468 4.292 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] 429945902 BXJVPMMPTGLFCM-UHFFFAOYSA-N 443.301 4.149 5 20 IIBD CC(C)N(CCS(=O)(=O)c1cccc(Br)c1)Cc1ccc([N+](=O)[O-])cc1 430036491 FGHLTYQFNHRBKX-UHFFFAOYSA-N 441.347 4.042 5 20 IIBD Cc1ccccc1C[C@H](C)N(C)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C 430335079 FYFIWGYBNDTLCP-ZDUSSCGKSA-N 448.317 4.002 5 20 IIBD COc1ccc([C@H](NC(=O)COc2c(Br)cccc2[N+](=O)[O-])C2CC2)cc1 431221548 UNGNYVIPYXSUIQ-GOSISDBHSA-N 435.274 4.012 5 20 IIBD CN(Cc1ccc(Br)s1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 431502547 PCVSMDQPOYMILC-UHFFFAOYSA-N 434.109 4.454 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2CCCC[C@@H](SC)C2)c([N+](=O)[O-])c1 434949407 BTYCWSGWCNMBDJ-MRXNPFEDSA-N 428.510 4.334 5 20 IIBD Cc1ccccc1CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435526180 GXSIXNVZBUFKJE-UHFFFAOYSA-N 441.534 4.413 5 20 IIBD Cc1nc2ccccc2n1CCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 435832514 BUAUMQRHZPZZLD-UHFFFAOYSA-N 432.430 4.048 5 20 IIBD CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 436509880 LXXNKQOTEXVXEF-IBGZPJMESA-N 437.500 4.148 5 20 IIBD O=C(c1ccc2noc(-c3ccc(F)cc3)c2c1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 437652132 QUUJGNPKMGMGBY-KRWDZBQOSA-N 447.426 4.264 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(CCc1ccccn1)Cc1ccncc1 438091675 GCQDYRCIKRKECN-MRXNPFEDSA-N 440.887 4.077 5 20 IIBD COCc1nc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c(-c2ccccc2)s1 441790145 AFGLAWTUDLXLQM-UHFFFAOYSA-N 428.470 4.195 5 20 IIBD CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 441822989 LKWVBEPKUVWGOT-UHFFFAOYSA-N 447.538 4.449 5 20 IIBD C[C@H]1CN(CCC2CCN(C(=O)c3cccc4c(=O)c5ccccc5[nH]c34)CC2)C[C@H](C)O1 444996579 BLOQFNLOERVAOT-OALUTQOASA-N 447.579 4.033 5 20 IIBD C[C@@H](NC(=O)c1ccc(Br)s1)c1nc(-c2ccc([N+](=O)[O-])s2)no1 445480797 JSUSYNBKBJVNEP-ZCFIWIBFSA-N 429.277 4.021 5 20 IIBD COc1ccc(Br)cc1C(=O)CCc1nc(-c2ccc([N+](=O)[O-])s2)no1 445485199 YWCFFKDIYMYTJY-UHFFFAOYSA-N 438.259 4.293 5 20 IIBD COc1ccc(-c2nc(C)c(C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)s2)cc1OC 446429882 PSERWTQLZTZFAE-UHFFFAOYSA-N 439.493 4.242 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccnn2-c2cccc(Cl)c2)c(C(F)(F)F)c1 446940783 WRGXDMXRFQSKQI-UHFFFAOYSA-N 446.794 4.254 5 20 IIBD CCc1nc(C)c([C@@H](C)N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)s1 447041812 ZIPRWUCMPWNMTF-SNVBAGLBSA-N 437.465 4.323 5 20 IIBD COCCSc1ccc([C@@H](C)Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])cc1 447815823 HWDFZPKHUKXZPM-QGZVFWFLSA-N 431.558 4.339 5 20 IIBD O=C(c1cnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(Cl)c1)N1CCCCC1 462938593 ARGBFJJVENZEEY-UHFFFAOYSA-N 444.919 4.317 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@](CO)(Cc2ccccc2)C1 463491140 FRPIWZYAZQTISK-NRFANRHFSA-N 435.427 4.045 5 20 IIBD COCCOC[C@H]1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 464414262 IOBGVWUTTUEOLN-HNNXBMFYSA-N 434.876 4.166 5 20 IIBD CCN(C(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-])[C@H]1CCOC(C)(C)C1 464681122 DPIOGKJGCYIUCM-HNNXBMFYSA-N 449.529 4.059 5 20 IIBD CCN(C)C[C@@H]1CCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 464793767 ORBARLDIAZNVKQ-HRAATJIYSA-N 430.936 4.202 5 20 IIBD COc1ccccc1Oc1ccc(NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 465051195 VXIZNVIXHFWPCC-UHFFFAOYSA-N 436.420 4.348 5 20 IIBD C[C@H](OCCCNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 465641879 XIGFWCWFKFYULL-SFHVURJKSA-N 427.501 4.316 5 20 IIBD COC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c1OC(C)C 466641775 NUCGDNWJFGKPJI-UHFFFAOYSA-N 437.246 4.183 5 20 IIBD Cc1coc(-c2cccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)n1 467998346 MVCPQEHCTVEMTP-FQEVSTJZSA-N 434.452 4.110 5 20 IIBD O=C(N[C@@H]1CCCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1)c1ccc2ccccc2c1 470138019 NDVJBGSHIDYUOA-LJQANCHMSA-N 436.443 4.313 5 20 IIBD C[C@H]1OCC[C@]12CN(C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)CCO2 470666345 FYSFGPCZKGKMSJ-SZNDQCEHSA-N 448.928 4.419 5 20 IIBD CCC1(CC)Oc2ccc(NC(=O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)cc2O1 471010074 FGJRZRBMZYGCCJ-UHFFFAOYSA-N 441.484 4.258 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1I 472872959 WANSLJWNKBNOJZ-UHFFFAOYSA-N 445.644 4.294 5 20 IIBD COc1ccc(CNC(=O)C(=O)Nc2ccccc2Sc2ccccc2)cc1[N+](=O)[O-] 473225787 KEEZJKZWBVIUNH-UHFFFAOYSA-N 437.477 4.010 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc(Cl)ccc1N1CCOCC1 476180024 WVWDJNNAPGPIEU-GFCCVEGCSA-N 440.283 4.144 5 20 IIBD O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1N1CCOCC1 476280440 CPGDDNHWRIZYDV-UHFFFAOYSA-N 429.782 4.356 5 20 IIBD O=C(c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O)N1CCc2ccc([N+](=O)[O-])cc2C1 476677480 PMWMQFKWBXUACH-UHFFFAOYSA-N 441.846 4.236 5 20 IIBD COc1cc(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)cc([N+](=O)[O-])c1C 478845104 YGXLRBXTQJNDNQ-UHFFFAOYSA-N 435.436 4.182 5 20 IIBD O=C(Nc1ccc(O)cc1)C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 479561433 DHZRIFFFHUSBJI-UHFFFAOYSA-N 425.466 4.006 5 20 IIBD Cc1c(CNC(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)cccc1[N+](=O)[O-] 480076839 XKCDPMDUKOXLRL-UHFFFAOYSA-N 443.456 4.197 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)c1[N+](=O)[O-] 480213889 MIKBLFAFHQMHRF-INIZCTEOSA-N 431.514 4.027 5 20 IIBD CCCCn1ncc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1C(C)C 480223844 IWUCFQZYBAGFLQ-UHFFFAOYSA-N 445.339 4.278 5 20 IIBD Cn1ccnc1SCc1cccc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 482883343 YNHVZLJYLSCPJY-UHFFFAOYSA-N 430.917 4.247 5 20 IIBD CCO[C@@H]1C[C@@H](NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])[C@@H]1OC 483407572 MZYLUENWYXFGJP-MDZRGWNJSA-N 436.917 4.322 5 20 IIBD Cc1ccc([C@@H](C)NCc2cccnc2Oc2cccc(S(C)(=O)=O)c2)cc1[N+](=O)[O-] 483724174 KDMQFISEIKYWHQ-MRXNPFEDSA-N 441.509 4.345 5 20 IIBD COc1cc(C(=O)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)c([N+](=O)[O-])cc1OC(F)F 484857560 KVLNEICKLIQAMY-ZDUSSCGKSA-N 440.374 4.376 5 20 IIBD O=C(O)[C@@H]1CC12CCN(C(=O)c1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)CC2 485455591 ZXYMAVMSLHURAB-INIZCTEOSA-N 430.844 4.367 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 485490830 AAWJOKQASDZJOF-YLJYHZDGSA-N 445.466 4.323 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)c(C)c([N+](=O)[O-])c1 486874388 PMYLMGHVLCXBCQ-YLJYHZDGSA-N 427.457 4.040 5 20 IIBD Cc1cccc(OCCCNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1C 487669389 VJQGCMPUODWYCA-UHFFFAOYSA-N 426.391 4.352 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(OCC(=O)N(CC)CC)c1 488539848 LBVDXQJMFYBAHL-UHFFFAOYSA-N 431.514 4.206 5 20 IIBD CCn1c(S[C@@H](C)C(=O)N2CCCc3ccccc32)nnc1-c1ccc([N+](=O)[O-])cc1 489396576 WLZNMWOUMNIWDD-HNNXBMFYSA-N 437.525 4.333 5 20 IIBD CCN(C(=O)c1cc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)ccc1Cl)C(C)C 490482012 BGAIIZSVGHWBIT-UHFFFAOYSA-N 432.908 4.483 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1C[C@H]1c1ccc(F)cc1F 500954266 VBWUPKNMFQFQIY-KBPBESRZSA-N 429.345 4.224 5 20 IIBD CCOc1ccc(C(=O)NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1[N+](=O)[O-] 501749683 WXOAJUYSUKIGRV-UHFFFAOYSA-N 437.427 4.315 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1C(=O)N(c2ccccc2)N=C1c1ccccc1 505448915 HNLLWOQZSDMIIK-LJQANCHMSA-N 434.839 4.254 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 505507491 RYWMSYLGWQBEBO-GJZGRUSLSA-N 435.496 4.259 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(Sc3nnc(-c4ccccc4F)n3C3CC3)cc2N1 506833615 RQSUYBBDSUOTCA-UHFFFAOYSA-N 425.445 4.363 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(Nc3ccc(CC(=O)N4CCc5ccccc54)cc3)cc2N1 507027223 LEOIHIIOQNLIMX-UHFFFAOYSA-N 442.475 4.355 5 20 IIBD CN(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)c1 507535707 UJVFNLQOEOGYIA-SFHVURJKSA-N 434.905 4.230 5 20 IIBD C[C@@H](O)[C@H]1CCN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C1 509442625 RKWOFBYMKOTERU-OCCSQVGLSA-N 429.523 4.199 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(Cc1ccc(Br)cc1)C(C)C 511879354 PHYOCZCCBWJPPF-UHFFFAOYSA-N 427.320 4.265 5 20 IIBD COC(=O)c1ccc2c(c1)CCN2C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1 512249768 QVROBSPINUCQME-UHFFFAOYSA-N 448.431 4.385 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCCN(CCCc2ccccc2)CC1 513989479 LLMONOZOWKMNCC-UHFFFAOYSA-N 448.470 4.369 5 20 IIBD COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2F)c(OC)cc1NC(=O)c1ccccc1 515587186 LQMYKAGKYDKBKN-UHFFFAOYSA-N 439.399 4.256 5 20 IIBD CCOc1ccc(Oc2ccc(NC(=O)C(=O)N(C)Cc3ccccc3[N+](=O)[O-])cc2)cc1 516446489 VXTOUSZBRKBCDZ-UHFFFAOYSA-N 449.463 4.383 5 20 IIBD Cc1ccc2nc(NS(=O)(=O)c3cc(Br)cc([N+](=O)[O-])c3)sc2c1 518241107 WMKVJNKQEQGHKK-UHFFFAOYSA-N 428.289 4.076 5 20 IIBD O=C(Nc1ccc(Cc2nnc3ccccn23)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 521080145 MUXQYTNNMGMIPB-UHFFFAOYSA-N 442.479 4.081 5 20 IIBD COc1ccccc1-c1cccc(NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 521124604 HQNNNBGIOQEVEJ-UHFFFAOYSA-N 437.477 4.100 5 20 IIBD CC[C@H]1c2ccsc2CCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 521765637 SMSBPGBZXZKCIF-AWEZNQCLSA-N 431.333 4.117 5 20 IIBD C[C@H](Sc1nncn1C(C)(C)C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 524242850 JRCFOPCWBBUUMQ-NSHDSACASA-N 432.531 4.184 5 20 IIBD CC(C)Sc1c(Cl)cccc1NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 524984373 QYAUWQOXERRMFQ-UHFFFAOYSA-N 435.889 4.113 5 20 IIBD Cn1cc(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 525027501 WOJCPEFGUWWZJW-MRXNPFEDSA-N 439.903 4.048 5 20 IIBD O=C(CNc1ccccc1[N+](=O)[O-])NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 525170211 FGEZHYFVTOKGNX-UHFFFAOYSA-N 445.454 4.315 5 20 IIBD COCCN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](C)c1cccc(C(F)(F)F)c1 532933597 QEMUJBZJUBQMNJ-CQSZACIVSA-N 425.407 4.262 5 20 IIBD CN1CC[C@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 534244290 ZQWXYMZWNOQMJC-XIKOKIGWSA-N 426.275 4.464 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)[S@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c(C)c1 536305635 SPSGLWNBFLFIRR-INCQDFKNSA-N 427.482 4.143 5 20 IIBD COc1cc(CN2CCC(CN(C)C(C)C)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F 536652098 GGUQMQBKOMQYDP-UHFFFAOYSA-N 433.471 4.097 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 538042221 UALFHEXLURJFMZ-VOJFVSQTSA-N 432.274 4.345 5 20 IIBD COc1ccc(CCC(=O)N2CCCN(c3cc(C)nc4c([N+](=O)[O-])cccc34)CC2)cc1 539548472 PVIACLBMBDDUIB-UHFFFAOYSA-N 448.523 4.132 5 20 IIBD Cc1cc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)ccc1-n1nnnc1C(C)C 541505129 FOWQGCGZDASZNE-UHFFFAOYSA-N 437.504 4.445 5 20 IIBD COc1ccc(CSCC(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] 542590391 QPKQZCLWKWHWSA-NQIIRXRSSA-N 448.516 4.354 5 20 IIBD C[C@H](C(=O)Nc1n[nH]c(-c2ccccc2Br)n1)c1ccc([N+](=O)[O-])cc1F 544401719 YELCOXLGUWQENK-VIFPVBQESA-N 434.225 4.024 5 20 IIBD CCCn1c(Sc2ncc([N+](=O)[O-])c(C)c2Br)nnc1-c1ccncc1 544410381 LXQYNNWFNBFWHX-UHFFFAOYSA-N 435.307 4.275 5 20 IIBD CCOc1cc2c(cc1OCC)CN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)CC2 547245432 LTKWINNTSHPJDS-UHFFFAOYSA-N 430.476 4.394 5 20 IIBD COc1ccccc1O[C@@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 553568094 DORVFZWXQCEOKA-LJQANCHMSA-N 442.515 4.233 5 20 IIBD O=C(Nc1cccc(Br)c1Cl)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 558841432 AUUDAIDGUFUMJT-UHFFFAOYSA-N 439.697 4.365 5 20 IIBD COc1ccccc1O[C@@H]1CCCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 560790714 VWHCAXWWWHAWOX-GDBMZVCRSA-N 434.876 4.094 5 20 IIBD CS(=O)(=O)c1cccc(N2CCc3nc(-c4ccccc4Cl)sc3C2)c1[N+](=O)[O-] 561688279 HRYBISQHHZZKIX-UHFFFAOYSA-N 449.941 4.338 5 20 IIBD COC(=O)c1nc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)sc1C(C)C 568813196 RMEFVHHKVIYPJZ-UHFFFAOYSA-N 432.483 4.337 5 20 IIBD Cc1cc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)nn1C1CCCCC1 573414608 KGWOPUXGUNTIIB-UHFFFAOYSA-N 443.323 4.168 5 20 IIBD CCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)c3csc([N+](=O)[O-])c3)c2)c1 575100949 XAXFBRLUZFRZLE-UHFFFAOYSA-N 439.449 4.338 5 20 IIBD CCOc1cc(C(=O)N[C@@H](C)c2nc3ccccc3n2C(F)F)c([N+](=O)[O-])cc1OC 590644476 NDPYGXLJMGDGSH-NSHDSACASA-N 434.399 4.238 5 20 IIBD C[C@@H](Sc1nnc(-c2ccc(OC(F)F)cc2)o1)C(=O)Nc1cccc([N+](=O)[O-])c1 594669788 HDVGSRCAUHKGJP-SNVBAGLBSA-N 436.396 4.366 5 20 IIBD COc1cc(CNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)ccc1O 603595857 SNASWGLMQHVSFS-UHFFFAOYSA-N 431.495 4.155 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 603674719 XAXIQKRKGRHHOX-UHFFFAOYSA-N 431.427 4.330 5 20 IIBD C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2)C1 603730695 YRRIAUSFZKAHFM-AWEZNQCLSA-N 443.481 4.014 5 20 IIBD CCC(=O)Nc1cccc(CN=c2c([N+](=O)[O-])c[nH]c3ccc(Br)cc23)c1 603866407 ZJGKRHQCOLXXJC-UHFFFAOYSA-N 429.274 4.288 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)NCc2ccnc(Oc3ccccc3)c2)cc1[N+](=O)[O-] 604033296 DBIRHJMBMCHIBV-UHFFFAOYSA-N 433.873 4.222 5 20 IIBD Cn1cnnc1[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 604104373 RAROCDFWGBVVON-HNNXBMFYSA-N 441.875 4.189 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC(OCCc2ccccc2)CC1 604475019 LZWKGPWSZQEQHQ-UHFFFAOYSA-N 435.427 4.452 5 20 IIBD COc1ccccc1CC(=O)N1CCC(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 608837074 YGBZWPUJFANCRG-UHFFFAOYSA-N 449.507 4.187 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@H](c1ccc(Cl)cc1)C1CCCC1 609218319 GGFUKTPXGCXAGR-FQEVSTJZSA-N 429.860 4.204 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(CSC3CCOCC3)c2)c1C 609705824 LYUJEFLEATUWGF-UHFFFAOYSA-N 436.555 4.425 5 20 IIBD COc1cc(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc(Cl)c1OCC(C)C 609837898 HNYGGWVWPARNAR-OAHLLOKOSA-N 448.907 4.013 5 20 IIBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccn(-c2cccc(C(F)(F)F)c2)n1 609967385 WTNMMZVNHIISRO-UHFFFAOYSA-N 448.357 4.213 5 20 IIBD COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 610159502 BLHCGHDZAJCSQE-AWEZNQCLSA-N 446.887 4.123 5 20 IIBD O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 610261601 RAGVVILENTYYRV-KRWDZBQOSA-N 438.292 4.365 5 20 IIBD Cc1ccc(C(=O)NCCNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cc1 611201521 JBCRICUMHYQTMC-UHFFFAOYSA-N 427.526 4.098 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)C(=O)Nc1ccccc12 614546806 HOXRHKBHWHKFOM-JOCHJYFZSA-N 425.510 4.223 5 20 IIBD CCc1nc([C@@H]2CCCCN2C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])no1 618666513 SQDPQCXUJXKJAU-FQEVSTJZSA-N 436.468 4.487 5 20 IIBD C[C@H](NC(=S)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccc(Cl)cc1Cl 726457144 POFZZPUMUMCEFJ-LBPRGKRZSA-N 440.356 4.054 5 20 IIBD Cc1nn(CCC(=O)O[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)c(C)c1[N+](=O)[O-] 726647516 MSMGWISUXDZMAP-QGZVFWFLSA-N 436.468 4.355 5 20 IIBD COc1ccc(Cl)cc1N1CC[C@H](NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 726693878 QVFRGWWAWPKYFZ-ZDUSSCGKSA-N 425.272 4.311 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccccc1NCc1ccccc1 726831083 ONROGRVYBBAMGY-INIZCTEOSA-N 449.463 4.400 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CNc3ccc(OC(F)F)cc3OC(F)F)n2)c1 728153282 YTNCVSYWALESSB-UHFFFAOYSA-N 428.298 4.460 5 20 IIBD CC(C)(C)OC(=O)NCCOc1cccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)c1 728229389 ZBGWNTJTFYHELP-UHFFFAOYSA-N 432.502 4.307 5 20 IIBD Cc1cc(C2=N/C(=C\c3csc(-c4ccc5c(c4)OCO5)n3)C(=O)O2)ccc1[N+](=O)[O-] 728453650 MAXOTKYNSJUTIF-NVNXTCNLSA-N 435.417 4.100 5 20 IIBD Cc1ccsc1C(=O)Nc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 729485794 VIPYUGQJUNIPFB-UHFFFAOYSA-N 436.442 4.124 5 20 IIBD O=C(OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 730615229 WJCPDTVJUXXIIX-CVEARBPZSA-N 435.263 4.138 5 20 IIBD O=C(CCCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])Nc1ccc(Cl)cc1 731980336 XAFALPYMXNVYKB-UHFFFAOYSA-N 447.847 4.075 5 20 IIBD Nn1c(SCc2ccc(Cl)cc2[N+](=O)[O-])nnc1-c1cccc(Br)c1 734752051 FTOHJIZNSOAPAA-UHFFFAOYSA-N 440.710 4.275 5 20 IIBD Cc1ccc(C(=O)N[C@@H](C(=O)OCc2ccc([N+](=O)[O-])cc2Br)C(C)C)cc1 739579422 WCMNSTCOVMJMIZ-GOSISDBHSA-N 449.301 4.164 5 20 IIBD O=C1[C@@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)CCCN1c1ccc(OC(F)F)cc1 742418490 SCELRZWZUBCSQC-HNNXBMFYSA-N 434.424 4.413 5 20 IIBD CCC[C@H](C)NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(C)cs1 744500601 QOHDWBYEOKBXGM-AAEUAGOBSA-N 437.543 4.361 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 746241850 POLAHQNAFJFIRT-NZQKXSOJSA-N 441.503 4.065 5 20 IIBD C[C@H](OC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 748378497 WQDZPQAPGAGWKB-NSHDSACASA-N 426.256 4.005 5 20 IIBD Cc1c(CC(=O)OCc2nc(-c3cccc(Br)c3)no2)cccc1[N+](=O)[O-] 748473240 AJVUHLDLQLXFPG-UHFFFAOYSA-N 432.230 4.002 5 20 IIBD CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=S)Nc1ccc([N+](=O)[O-])cc1 749901080 WWWZRMKHBIEWET-UHFFFAOYSA-N 428.514 4.429 5 20 IIBD C[C@@H](C(=O)Nc1cc(F)ccc1F)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 750616057 NCFYLRVJXKKNBA-JTQLQIEISA-N 440.244 4.021 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)Oc1cccc(C(=O)N2CCc3ccccc3C2)c1 751182395 HPHWDPAFOIFRGH-UHFFFAOYSA-N 448.500 4.491 5 20 IIBD Cc1ccc([C@@H](C)N/C=C2/C(=O)N(c3ccccn3)C(=O)c3ccccc32)cc1[N+](=O)[O-] 751924301 PAJNSFIPLSZEKX-ZGPWBKFBSA-N 428.448 4.177 5 20 IIBD C[C@H](OC(=O)C[C@H](C)c1ccc(N)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 752084728 SOLWAUDYEGGSEY-RYUDHWBXSA-N 439.390 4.260 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCC2([C@H](O)c3ccccc3)CC2)cc1[N+](=O)[O-])c1ccccn1 752346911 MGGBMRUWRUQXSM-UZUQRXQVSA-N 446.507 4.407 5 20 IIBD C[C@@H](OC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cc(Cl)ccc1Cl 752526283 QTSXTPOCUVLEOQ-SECBINFHSA-N 429.281 4.397 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C 754616380 UJFIEVMLUXMDSU-UHFFFAOYSA-N 433.442 4.352 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Oc2ccc(NC(=O)c3cccs3)cc2)cc1[N+](=O)[O-] 755057807 XPYBPZGLJSZRPL-UHFFFAOYSA-N 432.479 4.293 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc2ccccc2cc1NC(=O)C(C)C 757114445 LCJRAUALJCYTEA-UHFFFAOYSA-N 449.463 4.446 5 20 IIBD Cc1cc(F)cc(C(=O)Nc2ccc(Oc3cccc(S(C)(=O)=O)c3)cc2)c1[N+](=O)[O-] 758496146 AYSGWOGDKQVPHM-UHFFFAOYSA-N 444.440 4.490 5 20 IIBD COc1ccccc1OCc1ccc(C(=O)O[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)o1 759928030 FOGIGDWFZMXJPM-SJORKVTESA-N 441.440 4.313 5 20 IIBD CCO[C@@H]1C[C@@H](N(C)Cn2nc(-c3ccc([N+](=O)[O-])cc3)n(CC)c2=S)C12CCC2 765076639 ILKWFCRQJMCGBY-QZTJIDSGSA-N 431.562 4.246 5 20 IIBD Cc1cc(NC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)ccc1-c1ccccc1 766890566 BTBKRFHKNKMFRP-UHFFFAOYSA-N 429.432 4.476 5 20 IIBD Cc1cccc(N2C(=O)/C(=C/c3ccc(Br)cc3[N+](=O)[O-])NC2=S)c1C 767718265 SLEOQSLYESDXEY-ZSOIEALJSA-N 432.299 4.236 5 20 IIBD CCc1[nH]nc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] 767758864 VWBRZQDUCPUZLD-UHFFFAOYSA-N 447.373 4.404 5 20 IIBD CC(=O)Nc1ccc(Cl)c(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 768098772 VKYFYGPULYJUFT-VIFPVBQESA-N 440.239 4.044 5 20 IIBD COc1ccc(C(=O)C2CCN(Cc3c(Br)cccc3[N+](=O)[O-])CC2)cc1 768225663 KQVGYVLQTSEAGQ-UHFFFAOYSA-N 433.302 4.461 5 20 IIBD CC1(c2cccc(Br)c2)CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 768781835 ZHEHOIMJHDASDU-UHFFFAOYSA-N 448.273 4.459 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@H](C)Oc1cccc2ccccc12 769361022 ZIGXEDPRBIQLAD-GJZGRUSLSA-N 438.436 4.094 5 20 IIBD CC(C)CNC(=O)c1cccc(COC(=O)c2sc(Br)cc2[N+](=O)[O-])c1 773601389 BIIYNADDPAYZBX-UHFFFAOYSA-N 441.303 4.162 5 20 IIBD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NC[C@H](O)c2cccc(OCc3ccccc3)c2)n1 774222029 BGKZRUHDEAZOAA-ZRBLBEILSA-N 436.512 4.177 5 20 IIBD C[C@@H](C[C@H]1CCOC1)OC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 774745705 NDXIDAPKNVUVSG-ZWKOTPCHSA-N 435.480 4.348 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 775473114 YSYVKHSUFJPXOQ-UHFFFAOYSA-N 430.454 4.344 5 20 IIBD O=C(O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)c1csc(-c2c(F)cccc2F)n1 778778077 TYHRJRDBNWEPES-AWEZNQCLSA-N 431.420 4.432 5 20 IIBD CN(C)c1ccc(N2CCC(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CC2)cc1 780807479 QOPXNYBSOQCMKN-UHFFFAOYSA-N 440.547 4.146 5 20 IIBD O=[N+]([O-])c1cc(CNCc2cc3ccccc3nc2N2CCOCC2)cc(C(F)(F)F)c1 785523274 XRIIMYUPUOFCQL-UHFFFAOYSA-N 446.429 4.288 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)OCC(=O)N[C@H](C)c3cccs3)cc2[N+](=O)[O-])C1 787438013 WXQRQQNIZLMUIJ-OWCLPIDISA-N 445.541 4.173 5 20 IIBD CCc1[nH]nc(C(=O)O[C@@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)c1[N+](=O)[O-] 795610652 ATXWQVQYJFNSSF-ZETCQYMHSA-N 426.216 4.155 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1ccccc1Br)c1cc([N+](=O)[O-])ccc1N1CCCC1 797770019 IYXRMUGZJFDOEF-MAUKXSAKSA-N 430.302 4.243 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)OC3CCC(N4CCCC4=O)CC3)cc2[N+](=O)[O-])C1 799679189 ZZDFMOXUPKIAJM-NXMBOHNASA-N 443.544 4.168 5 20 IIBD O=[N+]([O-])c1ccc(Br)c(NNCn2nc(Cc3cccs3)oc2=S)c1 802741973 WTZUJLDAYZXJDB-UHFFFAOYSA-N 442.320 4.103 5 20 IIBD COC(=O)[C@@H](C)OC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 807616024 MDKHKKJCGKEGCY-WDGDVPDHSA-N 426.450 4.240 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2-c2nc(-c3ccnc(-n4cccn4)c3)no2)CC1 809279986 APEJEDRCZCTSHH-UHFFFAOYSA-N 431.456 4.129 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(Cl)c(C(F)(F)F)c1 809321421 XBNWGASFIYXHID-UHFFFAOYSA-N 443.809 4.380 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@@H](CCO)c1ccccc1Br 809912912 ODSDTXTZNMLFMT-LBPRGKRZSA-N 428.670 4.256 5 20 IIBD C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(C(=O)OC(C)(C)C)c2ccccc21 810051961 JCHDXJYBCKXUBR-OAHLLOKOSA-N 426.473 4.184 5 20 IIBD C[C@H](C(=O)OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 811086116 OKMCGWOUKYFPRN-JTQLQIEISA-N 432.281 4.152 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCc2cc(-c3ccccc3)oc2C1 812079070 PVCLBICJUJNWBB-UHFFFAOYSA-N 445.479 4.322 5 20 IIBD O=Cc1ccc2ccccc2c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 815060481 PFELGJOMAIEDGU-UHFFFAOYSA-N 436.239 4.091 5 20 IIBD CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c1C 815512078 HFNKBCQTFBNEBY-NSHDSACASA-N 426.347 4.189 5 20 IIBD O=C(Nc1cccc(NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)c1)C1CC1 821140334 TVBWJOLDSDKGKN-UHFFFAOYSA-N 430.269 4.051 5 20 IIBD CCNc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 902925004 XYXFHRBIMFCGPX-UHFFFAOYSA-N 448.435 4.260 5 20 IIBD C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cc2c(cc1Br)OCCO2 917787764 LHFGCMMDEIGVFA-VIFPVBQESA-N 441.665 4.273 5 20 IIBD CCc1oc2ccccc2c1CN(C)C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 918558041 MFMRGVUOTBAVFN-CQSZACIVSA-N 439.443 4.054 5 20 IIBD O=c1cc(O)n(C2CCCC2)c(SCc2ccc([N+](=O)[O-])cc2Br)n1 1116798115 PIDNLKOMYSVLCD-UHFFFAOYSA-N 426.292 4.027 5 20 IIBD C[C@H](NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1nc(C(C)(C)C)cs1 1322630283 PHHYHMDJFNTUFV-VIFPVBQESA-N 448.364 4.151 5 20 IIBD Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)Cc4cccc([N+](=O)[O-])c4)cc3)CCC2)o1 1785795138 VJGSUDAQOZKWBA-UHFFFAOYSA-N 447.491 4.416 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@@H]3CNc4ccccc43)cc2)CCC1)c1ccc([N+](=O)[O-])o1 1788043506 HCIDZEFCRXCNND-GOSISDBHSA-N 446.463 4.145 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@@H]3CCCCO3)CCC2)cc1)c1cccc(F)c1[N+](=O)[O-] 1790699479 JECVQEMUGVHRQK-IBGZPJMESA-N 441.459 4.051 5 20 IIBD CCC1(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccccc4[N+](=O)[O-])CCC3)cc2)COC1 1791175289 QZCRJIXGOOWZDH-MDWZMJQESA-N 449.507 4.169 5 20 IIBD C/C=C/C=C\C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])c(OC)c3)CCC2)cc1 1791243961 KTIWJNAWEFDJJZ-BZDQXIRASA-N 435.480 4.483 5 20 IIBD Cc1occc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1C)C2 1795094859 OXABMVUFZUANAF-MUJYYYPQSA-N 431.876 4.024 5 20 IIBD C[C@H]1CCC[C@@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2cccc([N+](=O)[O-])c2)CCC1 1800040992 STWXJHQPOKNLNE-UWQHEJLZSA-N 439.556 4.091 5 20 IIBD CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccccc1 1800522574 VHJGGIFUBNIPBR-XAPVIXHLSA-N 439.487 4.180 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@]1(C)CC=CCC1 1803281493 YYWVRWQRNKGSDE-IPPNXFFKSA-N 429.492 4.041 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3occc3c2)[nH]n1)c1ccc([N+](=O)[O-])o1 1814310095 ZQZZKOXPEJTTMN-INIZCTEOSA-N 449.423 4.277 5 20 IIBD Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3ccc([N+](=O)[O-])o3)n[nH]2)cc1 1814969531 HEEXEIAUTOSKHH-SINXNMPMSA-N 449.467 4.239 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])[nH]n1)C1CCCCC1 1816708823 NIAWUDVZEUDIIE-GOSISDBHSA-N 443.479 4.343 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CCCCN2C(=O)c2ccco2)CC1 1825773251 PBJJKBKDXFXYLQ-CFGKVWFZSA-N 437.496 4.135 5 20 IIBD CCOC(=O)c1c(-c2ccco2)csc1NC(=O)COc1cc([N+](=O)[O-])ccc1OC 10846689 SMYPTJUYOREJJM-UHFFFAOYSA-N 446.437 4.119 5 20 IIBD C[C@H](OC(=O)c1ccc(Br)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 11081314 CKQZKSAZEPUORJ-VIFPVBQESA-N 427.638 4.195 5 20 IIBD COc1ccc(-c2cc(COC(=O)c3ccc(Br)c([N+](=O)[O-])c3)on2)cc1 11214784 ACRZIHWBVAVFFW-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD O=C(OCc1nnnn1-c1ccccc1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 17673404 BTXGRSXJBZQULT-UHFFFAOYSA-N 433.449 4.079 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1ccccc1Br 22495156 MVBGZJAOBLYMOH-SECBINFHSA-N 427.638 4.195 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Oc1ccccc1Cc1ccccc1 26766630 ACDNHCIISGFFIS-UHFFFAOYSA-N 432.432 4.479 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1SCc1cn2ccccc2n1 33180455 HBDHAWBBYDVPLM-UHFFFAOYSA-N 447.520 4.377 5 20 IIBD CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 65128025 FXOGHFKVSZTIKB-OAHLLOKOSA-N 449.511 4.237 5 20 IIBD CCCN(CC(=O)Nc1ccccc1C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 98069270 MCYHPUCESBFTTI-HNNXBMFYSA-N 432.908 4.234 5 20 IIBD CCCCN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CC(C)(C)NC(C)(C)C1 111024222 KBASDEKMJDDEJG-UHFFFAOYSA-N 427.549 4.332 5 20 IIBD Cc1cnc(Sc2nnc(-c3c[nH]c4ccccc34)n2C[C@@H]2CCCO2)c([N+](=O)[O-])c1 301414177 BITDHSVHDUVXOG-AWEZNQCLSA-N 436.497 4.368 5 20 IIBD Cc1ccc(Sc2ccc(CN[C@@H](Cn3nc(C)cc3C)C(=O)O)cc2[N+](=O)[O-])cc1 426737862 QXQKFQVBZOBWFS-IBGZPJMESA-N 440.525 4.111 5 20 IIBD Cc1ccc(Sc2ccc(CN[C@@H](CN3CCCCC3)C(=O)O)cc2[N+](=O)[O-])cc1 426755468 ZPSULKUCRMSIHA-IBGZPJMESA-N 429.542 4.083 5 20 IIBD COc1cc(C(=O)Nc2nnc([C@H]3CCCc4ccccc43)s2)c([N+](=O)[O-])cc1OC 432597556 MAEYYBOYGCGSJM-AWEZNQCLSA-N 440.481 4.184 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(Cl)s3)cn2)c([N+](=O)[O-])c1 433125374 JSIVECZIFOLIOY-UHFFFAOYSA-N 425.875 4.181 5 20 IIBD CCn1nccc1C1CCN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 434009587 AFXXPNSQUNBXPT-KRWDZBQOSA-N 448.527 4.399 5 20 IIBD Cc1ccn(C2CCN(C(=O)c3ccn(-c4c(Cl)cc([N+](=O)[O-])cc4Cl)n3)CC2)n1 434031679 NHIKMKTWYSIIPO-UHFFFAOYSA-N 449.298 4.070 5 20 IIBD CCC(CC)[C@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1cccs1 435486007 DFEZQHQSTSIDBE-FQEVSTJZSA-N 429.498 4.217 5 20 IIBD CCN1CCc2nc(NC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)sc2C1 435939073 NESUAUDJPGTLNI-UHFFFAOYSA-N 440.475 4.046 5 20 IIBD COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1cccc([N+](=O)[O-])c1O)CC2 436935997 RKDVRMIWCOYWQD-HXUWFJFHSA-N 440.477 4.167 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccccc2-c2nncn2C(C)C)cc1[N+](=O)[O-] 439651035 USWMCSSBEOTTBC-UHFFFAOYSA-N 441.513 4.315 5 20 IIBD O=[N+]([O-])c1ccc(-c2ncn(Cc3ccnc(-c4ccc(Br)cc4)n3)n2)cc1 440858035 HKZWUPFDQZGAKM-UHFFFAOYSA-N 437.257 4.121 5 20 IIBD COc1cc(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)cc(NC(C)=O)c1OC 443887508 WKPUMMYULJNZPB-UHFFFAOYSA-N 427.457 4.160 5 20 IIBD CO[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1ccc(F)cc1 444127948 PKWFCEFVJPGFPM-LJQANCHMSA-N 426.394 4.216 5 20 IIBD COCCCOc1cccc(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1 444237669 LVSVMVGRBFMNEI-UHFFFAOYSA-N 434.467 4.166 5 20 IIBD COCCO[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C1 444318284 QCCBOLOZLOFHPW-INIZCTEOSA-N 436.917 4.277 5 20 IIBD CCCCc1ccc(NC(=O)Cc2noc(-c3cc(OC)c(OC)c([N+](=O)[O-])c3)n2)cc1 445315634 JTZQVYDNZCGXEW-UHFFFAOYSA-N 440.456 4.186 5 20 IIBD O=[N+]([O-])c1cccc(Cc2nc(C3(c4cccc(Br)c4)CCOCC3)no2)c1 445394600 VMWYPGYCKXSUHP-UHFFFAOYSA-N 444.285 4.428 5 20 IIBD O=C(CCc1nc2ccccc2n1-c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc2C1 446419610 PCRQQQBWSUSFSU-UHFFFAOYSA-N 426.476 4.451 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])cc1S(C)(=O)=O 446433364 AMHNWQIZHPQIQY-UHFFFAOYSA-N 440.477 4.138 5 20 IIBD CC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccccc1OCC(=O)N1CCCC1 446492697 BNIRLQWIAQYZGY-LJQANCHMSA-N 440.500 4.177 5 20 IIBD COc1cc(C(=O)N[C@H](CC(F)(F)F)C(C)C)c([N+](=O)[O-])cc1OCc1cscn1 446605033 KPXYYXSCJSDAPD-CYBMUJFWSA-N 447.435 4.346 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(CC3CC3)c3ccccc32)c(C(F)(F)F)c1 447022246 CYOIHLMSOSRPCD-UHFFFAOYSA-N 441.431 4.039 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 462501688 LIQFVPBLXHJBBM-QGZVFWFLSA-N 427.476 4.180 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@@H]3CCO[C@@H](c4ccccc4)C3)cc2)c(C)c1[N+](=O)[O-] 462910667 DMFMVSSGTRAYEU-FGZHOGPDSA-N 434.496 4.107 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F 464039269 HOTHHTPGSAKHQA-OCCSQVGLSA-N 437.418 4.477 5 20 IIBD CSc1cccc([C@H](NC(=O)CCn2cc([N+](=O)[O-])nc2C)c2ccc(F)c(F)c2)c1 464127646 AOFRUAHMVVXRKZ-NRFANRHFSA-N 446.479 4.396 5 20 IIBD CC(C)(C)n1ncc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1C(F)(F)F 464633001 FGYAMXRCNLFQOS-UHFFFAOYSA-N 440.422 4.249 5 20 IIBD CC(C)n1cc(Br)cc1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464643925 PONRFBPWCPVVAW-UHFFFAOYSA-N 436.306 4.423 5 20 IIBD CN(C)[C@H](CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1Cl 465480180 RTRKIXMFRNLTEO-OAQYLSRUSA-N 446.935 4.104 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 466289422 QQCUJJDXDHPASF-UHFFFAOYSA-N 427.413 4.267 5 20 IIBD COC(=O)COc1ccc(CN[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)cc1[N+](=O)[O-] 466472884 IHCZKOJRMHXHCZ-SHTZXODSSA-N 439.295 4.489 5 20 IIBD Cc1sc(S(=O)(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)cc1[N+](=O)[O-] 466977362 PKXQLCPRVHCJPY-UHFFFAOYSA-N 438.531 4.173 5 20 IIBD CC(C)[C@H](c1ccc(F)cc1)N(C)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 468118644 DFPDVDUURACOJG-OAQYLSRUSA-N 429.448 4.278 5 20 IIBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)Nc1ccc(Cl)cc1-c1ccccc1 468287370 QCAQMRXLAIGDSI-UHFFFAOYSA-N 437.839 4.279 5 20 IIBD C[C@H](CN(C)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-])Oc1ccc(Cl)c(Cl)c1 468586756 LGHCTNZXOXZZFC-SECBINFHSA-N 439.342 4.270 5 20 IIBD C[C@H](Nc1ccccc1O[C@@H]1CCOC1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 469881018 MXJWTBXHCQQQPI-GXTWGEPZSA-N 439.390 4.220 5 20 IIBD COC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)nc1C(C)(C)C 471563964 TVLMSJWDJKIHRC-UHFFFAOYSA-N 442.291 4.150 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)NCc1cn(-c2ccccc2)nc1-c1ccccc1 477475733 LLBYQSWKDNQDRY-UHFFFAOYSA-N 430.439 4.446 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccc(NC(=O)c2ccoc2)c1 477533089 QGBFDPQLKFNQGL-UHFFFAOYSA-N 428.832 4.458 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)cc([N+](=O)[O-])c1 478872081 TXCPVLZLLKPULL-UHFFFAOYSA-N 446.309 4.227 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1Cl)N(C)C 478937453 RIGWRBJKLJJWSD-GOSISDBHSA-N 437.949 4.019 5 20 IIBD COc1cc(C(=O)NCC2(O)CCCCC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 479710907 CGGOIVHNSCPNRC-UHFFFAOYSA-N 434.876 4.474 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 479752076 IXGWWIYDZJLDLQ-KRWDZBQOSA-N 438.253 4.410 5 20 IIBD C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1ccc(NC(=O)Nc2ccccc2)cc1 480802288 DCOOLSQQEYZMGE-ZDUSSCGKSA-N 437.431 4.451 5 20 IIBD CSc1ccc(C(=O)Nc2nc3ccccc3n2CCCn2ccnc2)cc1[N+](=O)[O-] 485436716 JGQMXQPJXIRZIY-UHFFFAOYSA-N 436.497 4.206 5 20 IIBD O=C(Nc1cc(-c2ccc(OC(F)F)cc2)no1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 485532909 OKLUBSJVYCGAMT-UHFFFAOYSA-N 441.350 4.289 5 20 IIBD COC(=O)[C@H](CNC(=O)c1cccc(SC)c1[N+](=O)[O-])Cc1cccc2ccccc12 486229954 KBXSETHGHDSKMR-KRWDZBQOSA-N 438.505 4.232 5 20 IIBD CC1CCN(C2CCC(NC(=O)c3sc(Br)cc3[N+](=O)[O-])CC2)CC1 486315293 CWRFJZACXHCQLV-UHFFFAOYSA-N 430.368 4.192 5 20 IIBD CC(C)NC(=O)[C@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 486816752 DSBYAGGNFBKVOU-OALUTQOASA-N 438.528 4.020 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)CCNc1nc(-c2ccc([N+](=O)[O-])cc2)no1 486955894 MAAYXERIMNNHAV-UHFFFAOYSA-N 431.836 4.056 5 20 IIBD Cn1ccnc1[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 488017539 ZCCLRPDCJLWUPM-SFHVURJKSA-N 448.310 4.266 5 20 IIBD Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 489203335 ZDGNOPBEWXPNNA-UHFFFAOYSA-N 447.316 4.049 5 20 IIBD O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1cc2cc(Br)ccc2o1 490399309 NZJQCLLFXQMOMF-UHFFFAOYSA-N 428.202 4.141 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 491145964 NWJLDMSUCRLWFH-UHFFFAOYSA-N 447.904 4.034 5 20 IIBD COc1ccc(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc1Oc1ccc(C)nn1 498322853 NUOSDKCQAXYICH-UHFFFAOYSA-N 426.454 4.468 5 20 IIBD COc1cccc(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1OC1CCCC1 499223295 QCDUBDVIKORNLJ-UHFFFAOYSA-N 439.512 4.455 5 20 IIBD Cc1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cccc1C(=O)N1CCCC1 499537475 FATQPDQKDJALHZ-AWEZNQCLSA-N 431.876 4.199 5 20 IIBD C[C@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@H](C)c1ccccc1C(F)(F)F 500442777 SVLCSAUYVFYQPQ-STQMWFEESA-N 433.390 4.116 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)ccc1[N+](=O)[O-] 500596300 KDBFRCDZUIKKEL-CQOQZXRMSA-N 445.519 4.355 5 20 IIBD COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CC2 505747482 KNDBZLQVFMSILB-OAQYLSRUSA-N 440.477 4.167 5 20 IIBD O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 505915017 HJZKGNOVCOZXMN-HSZRJFAPSA-N 434.471 4.355 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)C(=O)N(C)CCc3ccccc3[N+](=O)[O-])cn2)cc1C 506772152 BNBLGYGCFKNMIH-UHFFFAOYSA-N 448.479 4.039 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N(CCO)Cc1cccc(Br)c1 506978412 HVHFCDNCKWNVTB-UHFFFAOYSA-N 447.207 4.011 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 507449618 NYHQSXYBFRJBJR-QGZVFWFLSA-N 437.374 4.008 5 20 IIBD O=C(NC1(Cc2cccc(F)c2)CCOCC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 508709521 HPTDPZHMBUETSP-UHFFFAOYSA-N 435.455 4.318 5 20 IIBD CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1Cl 509593155 CGWYJACNQXOEED-UHFFFAOYSA-N 439.921 4.276 5 20 IIBD Cc1ccc(-c2cncc(F)c2)cc1NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 513581759 AMPODOAEFBGBIB-UHFFFAOYSA-N 442.834 4.126 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)cc1 515757506 LPDKVICYNFCCNP-SFHVURJKSA-N 439.331 4.318 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 516050224 DENBEMNLDBSZIJ-UHFFFAOYSA-N 449.307 4.230 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@@H](c3ccccc3)C[C@H]2OC)cc1SC 519784523 SOXSFJSCPABUGR-SZVBFZGTSA-N 430.526 4.406 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCCOc3ccccc3C(C)C)cc2)c(C)c1[N+](=O)[O-] 521079177 NYKOQAINFRPLAF-UHFFFAOYSA-N 436.512 4.389 5 20 IIBD Cc1c(NC(=O)[C@@H](C)NCC2(c3ccccc3Cl)CCOCC2)cccc1[N+](=O)[O-] 521581611 BBHVRXLKXBBBCG-MRXNPFEDSA-N 431.920 4.222 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)c1 521930985 KIEACSUDNFEHKX-LBPRGKRZSA-N 436.331 4.088 5 20 IIBD O=C(Nc1nc2ccc(Cl)cc2s1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 521954870 DMDLBJDCDBTQKY-NSHDSACASA-N 436.902 4.163 5 20 IIBD CC(C)n1ncc2c(C(=O)Nc3cc(-c4cccc([N+](=O)[O-])c4)[nH]n3)cc(C3CC3)nc21 522359866 IVQDZTOHCGMFBU-UHFFFAOYSA-N 431.456 4.440 5 20 IIBD O=C(NCc1cccc(NC(=O)C2CCC2)c1)c1ccc([N+](=O)[O-])cc1Br 523501632 IYDXWYOLSHAEPL-UHFFFAOYSA-N 432.274 4.026 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(Nc2ccc(-c3nccc(C)n3)cc2)c([N+](=O)[O-])c1 523753660 OLIKCFNJEAQMBS-UHFFFAOYSA-N 441.513 4.134 5 20 IIBD CN(Cc1ccccc1)CC1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 523975525 AADQBGXOAVCBOI-UHFFFAOYSA-N 445.947 4.388 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 524236630 RBLHNMVBAUTFEG-UHFFFAOYSA-N 441.488 4.207 5 20 IIBD CN(C)CCn1ccc2ccc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cc21 524814414 PZFCNECILBZTMS-UHFFFAOYSA-N 438.531 4.310 5 20 IIBD C[C@H](c1ccccc1Br)N(C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 533099577 KRIHWGHFXJDKNR-CYBMUJFWSA-N 434.290 4.348 5 20 IIBD COc1ccccc1[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccn1 534842652 GOTHLOKDVQIZFU-IBGZPJMESA-N 442.269 4.280 5 20 IIBD CC[C@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1nc(C(F)(F)F)cs1 541635937 VYAPXPQDUMRYPB-NSHDSACASA-N 432.424 4.148 5 20 IIBD CC(C)(C)OCCOc1cccc(-c2noc(Cn3ccc4cc([N+](=O)[O-])ccc43)n2)n1 545110971 YIYROTSSLGKNHX-UHFFFAOYSA-N 437.456 4.237 5 20 IIBD O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC(c2cccc(Br)c2)CC1 545962739 DKKXTRQSBFJYHO-UHFFFAOYSA-N 433.258 4.106 5 20 IIBD O=C1CCCN1c1ccc(Cl)c(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)c1 546561544 XOHNCNAOMZRNTP-UHFFFAOYSA-N 437.843 4.497 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCO[C@@H](c2ccc(F)cc2F)C1 548641933 BIWKICYXYZIGJK-HSZRJFAPSA-N 434.442 4.033 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3c(C)coc3C)cc2)cc1[N+](=O)[O-] 550264994 WRTXRRMNBSDVSE-UHFFFAOYSA-N 429.454 4.166 5 20 IIBD Cc1ccc(CN[C@H](c2ccc([N+](=O)[O-])cc2)c2nccn2C)c(OCC(F)(F)F)c1 552048076 GJCSMDAPYNHOAF-LJQANCHMSA-N 434.418 4.457 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 555096874 HSHKSUMZZWZCOL-GOSISDBHSA-N 431.855 4.244 5 20 IIBD O=C(N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 557744342 PZCHPEPGZMQXED-FQEVSTJZSA-N 433.386 4.227 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN3CCN(c4cncc5ccccc45)CC3)o2)c1 558854562 QOMYSYGURIHBFF-UHFFFAOYSA-N 429.480 4.163 5 20 IIBD Cc1cc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)nc(C(F)(F)F)n1 568811902 AAXCYFDCWSGWSQ-UHFFFAOYSA-N 444.167 4.115 5 20 IIBD Cc1cc(Cc2noc(C(C)(C)S(=O)(=O)c3ccc(Cl)cc3)n2)ccc1[N+](=O)[O-] 569409036 JWLFERWNANKVNH-UHFFFAOYSA-N 435.889 4.239 5 20 IIBD CCOC(=O)CCN(C)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 573348380 BDYJVSUPMRFURP-UHFFFAOYSA-N 436.848 4.074 5 20 IIBD CC(C)(C(=O)NCCc1c[nH]c2cccc(Br)c12)c1ccccc1[N+](=O)[O-] 579101233 XGLCDOKEYGFZCA-UHFFFAOYSA-N 430.302 4.475 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCOc1ccccc1C(F)(F)F 592629023 ZCDDJRIQCHQJAK-UHFFFAOYSA-N 440.421 4.369 5 20 IIBD COc1ccccc1[C@@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])N1CCCCC1 603871475 BDZDGNQUHZRBBB-JOCHJYFZSA-N 438.528 4.135 5 20 IIBD CC(C)c1nccn1Cc1cccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1 603927183 WWBFLMLBBOLEMY-UHFFFAOYSA-N 430.468 4.401 5 20 IIBD COc1ccc(-c2nc(CS(=O)(=O)Cc3cccc([N+](=O)[O-])c3C)cs2)cc1OC 603940386 AQTFQAWJWXNHLR-UHFFFAOYSA-N 448.522 4.159 5 20 IIBD Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)COc1cccc([N+](=O)[O-])c1 603977140 UBZIQEAJESWOPI-HOTGVXAUSA-N 425.485 4.039 5 20 IIBD C[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1cccc([N+](=O)[O-])c1 604108714 LGQXPSZQVJYZGH-CQSZACIVSA-N 443.456 4.026 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 604159827 ZYVBPAOFTAENSW-GFCCVEGCSA-N 444.900 4.203 5 20 IIBD O=C(NC1CC1)c1ccc(N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 604270639 FZLQOPUYZWGFQU-GHMZBOCLSA-N 425.329 4.054 5 20 IIBD CCn1c(CCNC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)nc2ccccc21 604482745 GCRUXMGDFKTEAZ-HDICACEKSA-N 449.555 4.419 5 20 IIBD CSCCc1ccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 609014744 IHMKDEGOQDLFJU-UHFFFAOYSA-N 429.527 4.032 5 20 IIBD Cc1cccn2cc(-c3ccc(NC(=O)c4cn(-c5cccc([N+](=O)[O-])c5)nn4)cc3)nc12 609442249 NTNDADKSHXFORM-UHFFFAOYSA-N 439.435 4.051 5 20 IIBD Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C2)cc1 609793159 SCEVZIKOWYZTIC-MRXNPFEDSA-N 444.919 4.159 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)CC3)cc1[N+](=O)[O-])c1ccccn1 610204070 RQVZLIFFXLODRJ-CQSZACIVSA-N 431.452 4.300 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@@H]2c2ccccc2Br)cc1 610679532 AHBORFXLHCZUQB-QGZVFWFLSA-N 425.304 4.024 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)c1 619791473 CYZCROKUCLDMHW-UHFFFAOYSA-N 437.427 4.315 5 20 IIBD CCN(Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(C)C 726054206 RANIZAHIBHNAPD-UHFFFAOYSA-N 433.892 4.274 5 20 IIBD O=[N+]([O-])c1cccc(-c2ncn(CN3CCO[C@H](c4ccc(Cl)c(Cl)c4)C3)n2)c1 727430290 ZJHNHGTYYMKJBQ-SFHVURJKSA-N 434.283 4.191 5 20 IIBD COC(=O)c1c(C)n(C2CC2)c2ccc(OC(=O)Cc3ccc(OC)c([N+](=O)[O-])c3)cc12 727663152 NEZPYBZHMCKZJI-UHFFFAOYSA-N 438.436 4.136 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCCc2ccc(N3CCCCC3)cc2)cc1SC 728516761 VGWKDRHYVSMVKZ-UHFFFAOYSA-N 429.542 4.288 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1OCc1cccs1 730613406 HDJVDSCKNWBUFD-UHFFFAOYSA-N 427.434 4.459 5 20 IIBD CC(C)C(=O)Nc1cccc(OC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 733173328 ZSNPEEYHQKXHJO-UHFFFAOYSA-N 426.347 4.350 5 20 IIBD COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1 735999705 FZAJIGKIAIBLKU-AUUYWEPGSA-N 430.457 4.474 5 20 IIBD CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1Br 739568847 DDGCXEBEMFTBAK-GOSISDBHSA-N 444.326 4.027 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Br)C1(c2cccc(F)c2)CCOCC1 739580183 SIXRKGKMROVBNH-UHFFFAOYSA-N 438.249 4.288 5 20 IIBD CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)OC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 740219170 VQMTWLWDPNFUPH-LLVKDONJSA-N 446.437 4.072 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)NCCCCc3ccc([N+](=O)[O-])cc3)cc2)C[C@@H](C)O1 740443286 DWRPGBOAMDEFFX-HDICACEKSA-N 426.517 4.353 5 20 IIBD C[C@H](C(=O)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 742050719 LLHIQIKTQUZAMF-OXJNMPFZSA-N 428.460 4.466 5 20 IIBD Cc1c(Br)cccc1C(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 744089563 YIGJHJPJCRAXNG-UHFFFAOYSA-N 434.290 4.134 5 20 IIBD CSc1cccc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 744554962 ZWUFMIDYWICBNY-OAHLLOKOSA-N 443.525 4.491 5 20 IIBD CC(C)c1c(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cnn1-c1ccc(F)cc1 744690365 BULBRKMGATXWSD-CQSZACIVSA-N 440.431 4.227 5 20 IIBD C/C(=C/C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 748386868 BNDQDJQDONIYTK-FLIBITNWSA-N 426.322 4.338 5 20 IIBD Cc1c(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748635706 UELPFQVEVYCHBN-QGZVFWFLSA-N 425.401 4.100 5 20 IIBD CCc1c(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cnn1C(C)(C)C 750583121 LIWMWHHCZLGFBA-UHFFFAOYSA-N 435.322 4.070 5 20 IIBD Cc1nc(COc2cccc(C(=O)OCc3nc4cc([N+](=O)[O-])ccc4o3)c2)cs1 751637979 BPORAGSWPPIBPV-UHFFFAOYSA-N 425.422 4.437 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC1CCCC1 752134424 GOQNSZWVDGRDJS-HNNXBMFYSA-N 441.484 4.049 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])ccc1Br)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 754704200 MKOBWSPBDRIZBT-KSSFIOAISA-N 437.265 4.489 5 20 IIBD CN(Cc1ccc(O)cc1)C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 754957898 BISVNQKXVLEOJN-UHFFFAOYSA-N 439.855 4.478 5 20 IIBD CC(=O)c1cccc(NC(=O)[C@H](OC(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C(C)C)c1 754988036 OCWWWWIFPVCXDJ-GOSISDBHSA-N 436.823 4.410 5 20 IIBD CC(C)(C)S(=O)(=O)N1CCC(Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 755040106 JFGXCNHDTJLLRN-UHFFFAOYSA-N 443.875 4.272 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N1CCCCC1=O 755369905 KCKOGEFZZCZHQD-SFHVURJKSA-N 432.274 4.050 5 20 IIBD C[C@@H](OC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C(=O)Nc1cccc(Br)c1 756773209 VRJRBOAWGFYSHB-SNVBAGLBSA-N 432.230 4.023 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] 758835071 UGDTTXCDGBTOGY-XYJFISCASA-N 434.537 4.299 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H](c2noc(-c3ccc(NC4CC4)c([N+](=O)[O-])c3)n2)C1 761884736 JNZWPMONGSBFKE-AWEZNQCLSA-N 429.477 4.334 5 20 IIBD C[C@@H](OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(=O)Nc1cccc2ccccc12 763869355 IMDSTRKJKHUABW-OAHLLOKOSA-N 430.420 4.118 5 20 IIBD O=C(N[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1)c1cc2ccccc2o1 764283702 URAHCBXOJCRSRW-HNNXBMFYSA-N 427.844 4.029 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2nnc(S)n2C(C)C)CC1 765495424 JNLQYVAJSJJWRR-INIZCTEOSA-N 431.562 4.031 5 20 IIBD COc1cc(COC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c([N+](=O)[O-])cc1F 766202619 DCCVRNNSCXMCSB-GOSISDBHSA-N 434.420 4.052 5 20 IIBD CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COC(=O)c1ccc([N+](=O)[O-])c2cccnc12 766230911 OXBSAGRNWPGQAP-UHFFFAOYSA-N 448.262 4.265 5 20 IIBD CCOc1cc(Br)c(NCc2cc(OC)c(O)cc2[N+](=O)[O-])cc1OCC 767410574 UMTDYFNLEVBNPA-UHFFFAOYSA-N 441.278 4.481 5 20 IIBD CC(=O)[C@H](Cc1ccc(F)c(F)c1F)OC(=O)c1cccc([N+](=O)[O-])c1Br 768844935 IJNPQWFCUZKTHN-ZDUSSCGKSA-N 446.175 4.132 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 769422929 NDQFKTRSUIBFBN-DZGCQCFKSA-N 442.354 4.483 5 20 IIBD CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 769618302 JBXJDIMFGQFXMS-GOSISDBHSA-N 428.876 4.052 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1sc(Br)cc1[N+](=O)[O-] 772144325 AQELYFVQIVWLLI-UHFFFAOYSA-N 428.264 4.378 5 20 IIBD CC[C@H]1CC[C@@H](C)N1C(=O)c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 772444733 MYDXHGICIMESGQ-WBVHZDCISA-N 432.498 4.074 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c1 773364269 DZOIJWMJUJMHRF-UHFFFAOYSA-N 435.546 4.180 5 20 IIBD C[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(NC(=O)Cc2ccccc2F)c1 774988386 ACILQPJNBSUEBW-WAIKUNEKSA-N 437.471 4.299 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCC1(c2ccc(F)cc2F)CCCC1 777024732 OESNYTQCWGEDDZ-UHFFFAOYSA-N 433.411 4.342 5 20 IIBD C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 777943988 MGYRVVMEFPKVTC-HUUCEWRRSA-N 431.439 4.443 5 20 IIBD NC(=O)c1ccc(NCc2ccccc2)c(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c1 778395750 SPLPFYXHEPRWQO-UHFFFAOYSA-N 440.406 4.036 5 20 IIBD COc1cc(COC(=O)c2scnc2C(C)(C)C)c([N+](=O)[O-])cc1OCC(F)F 780065878 KQSLFTMLBZNLPK-UHFFFAOYSA-N 430.429 4.358 5 20 IIBD CC(C)(C)OC(=O)N1Cc2ccc(CNC(=S)Nc3ccc([N+](=O)[O-])cc3)cc2C1 780216455 PETBQMFHJGJBLK-UHFFFAOYSA-N 428.514 4.332 5 20 IIBD C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1cc([N+](=O)[O-])ccc1I 780280644 YADQEDXZXJBHTB-IUCAKERBSA-N 442.175 4.002 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 780685113 WDDIKSKZAUFIPH-QGZVFWFLSA-N 432.521 4.058 5 20 IIBD Cc1nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3I)ccc2s1 781222557 KTTPHCURKVMYAG-UHFFFAOYSA-N 439.234 4.370 5 20 IIBD COc1cccc(C(=O)c2ccc(C(=O)O[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])cc2)c1 781248866 AWUNKDLXSPNDHY-OAHLLOKOSA-N 448.431 4.018 5 20 IIBD C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781252454 LWBXYJHVNHHOLB-BFUOFWGJSA-N 433.848 4.078 5 20 IIBD O=C(NCc1ccc(COCc2ccccc2)cc1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781615651 ZLOKLUUCEYAXIZ-DEOSSOPVSA-N 445.475 4.121 5 20 IIBD CC(C)CNC(=O)c1ccc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1Cl 781626259 QXGCMWUEXAWIOE-UHFFFAOYSA-N 448.863 4.114 5 20 IIBD CC(C)[C@H]1CN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1C(=O)OC(C)(C)C 781985487 RAPVTMSIENHPAW-CRAIPNDOSA-N 445.520 4.283 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@@H](N3CCCCC3=O)C2)cc1OC 782042838 VYGGNAMFORGSSD-IEBWSBKVSA-N 433.549 4.005 5 20 IIBD CCOC(=O)C1([C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CCN(C(=O)OC(C)(C)C)CC1 788639425 BUWBYOCSXHRYTF-IRXDYDNUSA-N 449.548 4.214 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(C(=O)c2ccc(F)cc2)CC1 789350479 ZZAAMZASVFMECW-CYBMUJFWSA-N 433.867 4.309 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Oc1cccc(-c2nccs2)c1 790459117 DAAGXBNDEVFAPZ-UHFFFAOYSA-N 441.284 4.249 5 20 IIBD C[C@@H](C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)c1c(F)cccc1F 791173843 HURHQTHKICVRCH-SNVBAGLBSA-N 425.229 4.324 5 20 IIBD CCOC(=O)/C(=C\c1ccc(OCC(F)(F)F)c(OC)c1)c1ccc([N+](=O)[O-])cn1 794951244 XWHIFHQLMWYVDV-ZSOIEALJSA-N 426.347 4.043 5 20 IIBD CC(C)(C)OC(=O)NCC[C@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 799583290 ZFWUXDRMCJNZQV-CQSZACIVSA-N 437.928 4.182 5 20 IIBD CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N 801834538 RJNAATZYAGFWJN-UHFFFAOYSA-N 443.454 4.330 5 20 IIBD Cc1oc(C(C)C)nc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 803914589 KTKCPBOOOVZDAH-SNVBAGLBSA-N 429.351 4.217 5 20 IIBD O=C(NC[C@@H](CO)Cc1ccccc1C(F)(F)F)Nc1cccc([N+](=O)[O-])c1Cl 809914950 JBYNFSVNUPNTEJ-NSHDSACASA-N 431.798 4.240 5 20 IIBD CCC(CC)(CNC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 810371212 CLSUBKCZRNNYAX-UHFFFAOYSA-N 448.317 4.170 5 20 IIBD O=C(Nc1cccc(F)c1)[C@@H]1CSCN1C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 812989671 MKJNMOZSEFNJKD-AWEZNQCLSA-N 444.271 4.195 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 814428127 JLSHLHXPXCHHTE-SJORKVTESA-N 447.532 4.103 5 20 IIBD O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N(Cc1ccsc1)c1cccnc1 815008205 RARUPJAGQJZGAK-UHFFFAOYSA-N 427.866 4.239 5 20 IIBD O=[N+]([O-])c1ccc(Br)c2c1CN(Cc1ccnc(Br)c1)CC2 815115368 ZIOALGKCWHIWJK-UHFFFAOYSA-N 427.096 4.073 5 20 IIBD CCc1ccc([C@@H](C)NC(=O)[C@H](C)OC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 822599038 WZISUCIXLHFZDL-SJORKVTESA-N 439.512 4.180 5 20 IIBD CC(C)[C@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)N(C)c1ccccc1 877067706 LLVFZFUMIKQWLG-NRFANRHFSA-N 425.485 4.039 5 20 IIBD O=C(CCn1ccccc1=O)Nc1cc(Cl)c([N+](=O)[O-])cc1OCc1ccccc1 914870674 ZVMYOVOJVMWPOM-UHFFFAOYSA-N 427.844 4.018 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)CC1 916401543 HBFDQLWVDBSWHZ-INIZCTEOSA-N 436.512 4.207 5 20 IIBD O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(Cn3cccnc3=S)CC2)s1 917465101 IPXKVGMPRAVRRY-UHFFFAOYSA-N 427.555 4.025 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(Cl)cc2Br)c(Cl)c1 917849110 RDIDBSSRDDUMTJ-UHFFFAOYSA-N 427.059 4.432 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)C1CCN(C(=O)c2ccc(Cl)s2)CC1 918563969 RIQWQIBHPHYIOI-UHFFFAOYSA-N 429.832 4.079 5 20 IIBD C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 918991975 JYXNZSPDSKSOQQ-AWEZNQCLSA-N 425.441 4.453 5 20 IIBD CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)CSc1ccccc1[N+](=O)[O-] 1320142800 LVDKNAMXXIQNPV-UHFFFAOYSA-N 431.514 4.028 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1-c1nnc(-c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)o1 1322630327 AEHIBICWOIVCEN-UHFFFAOYSA-N 439.435 4.322 5 20 IIBD CCCN(Cc1nc(O)c2sccc2n1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1323315386 NPACSUOFVKRQPO-UHFFFAOYSA-N 440.403 4.376 5 20 IIBD C[C@@H](NCc1ccc([N+](=O)[O-])cc1Br)c1ccc(N2CCCNC2=O)cc1 1324011469 VFKLIODKVHGRIG-CYBMUJFWSA-N 433.306 4.128 5 20 IIBD CC(=O)NCc1ccc(-c2csc(NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)n2)cc1 1336227011 FEDJCVBPMLONSY-UHFFFAOYSA-N 435.465 4.088 5 20 IIBD COc1cc(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc(Cl)c1OC 1339268385 IIRZQGWDHHMDBS-UHFFFAOYSA-N 433.873 4.319 5 20 IIBD COc1ccc(CC(=O)NC2(c3ccc(NC(=O)C(C)(C)C)cc3)CCC2)c([N+](=O)[O-])c1 1787704435 UVTCVBLLQKWRDW-UHFFFAOYSA-N 439.512 4.326 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@@H]3CCCS3)cc2)CCC1)c1cccc(F)c1[N+](=O)[O-] 1792014884 YXVABIOSKPUGGS-SFHVURJKSA-N 443.500 4.377 5 20 IIBD O=C(NC1(c2ccc(NC(=O)C3Cc4ccccc4C3)cc2)CCC1)c1ccc([N+](=O)[O-])[nH]1 1792371211 XASYXMJQJMYDJO-UHFFFAOYSA-N 444.491 4.086 5 20 IIBD Cc1cccc(Cl)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C2 1800491515 JIMXEZMERQAOGS-QDMKHBRRSA-N 445.878 4.261 5 20 IIBD CCCCC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1N(C)C 1800760737 OSJUUQSIBXQUPZ-OKYOBFRVSA-N 444.576 4.129 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2ccoc2c1 1800983719 LJCYFTUTYBMJNG-WKCHPHFGSA-N 447.491 4.226 5 20 IIBD CCCCC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(OC)c1)C2 1801717377 WBPPVNOHOXFLMT-OQIJWPOYSA-N 431.533 4.072 5 20 IIBD O=C(c1ccc2occc2c1)N1CCC2(CCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)CC1 1804650613 ASZVUCDGMAZHGI-UHFFFAOYSA-N 437.452 4.093 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CC=CCC2)[nH]n1 1823502889 GAJLNAZWDFWILT-RLOGYQLBSA-N 449.511 4.380 5 20 IIBD O=C(CCC1CCC1)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1824276455 SEBMNQWCZXJZDE-OGECGYFKSA-N 443.544 4.401 5 20 IIBD C/C=C/C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3cc([N+](=O)[O-])ccc3s1)CC2 1825044185 DEAPQVVVFRWMOM-JDGPPOGSSA-N 442.522 4.068 5 20 IIBD C/C=C/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830615518 JKTDACWDOSMCKN-AXVWPGNMSA-N 429.492 4.100 5 20 IIBD COc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3CCCC3)CC2)ccc1[N+](=O)[O-] 1832696052 NOKFJBMPKRGCNF-FQEVSTJZSA-N 443.544 4.027 5 20 IIBD COc1ccc([N+](=O)[O-])cc1OCC(=O)c1cc(C)n(Cc2ccc3c(c2)OCO3)c1C 10846002 INPJUSVMQOFWAW-UHFFFAOYSA-N 438.436 4.060 5 20 IIBD COC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 16206053 LRBMXRYPYVLZTQ-FOWTUZBSSA-N 432.432 4.350 5 20 IIBD Cc1ccc(-c2nnc([C@@H](C)OC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)o2)cc1 17727228 FDVOUMULGRQMLE-MRXNPFEDSA-N 436.468 4.474 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 20917219 WXJDIAWZDIUKEJ-UHFFFAOYSA-N 427.407 4.013 5 20 IIBD COC(=O)CCc1c(C)nn(-c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)c1C 25868495 OOQLSXFXCRFSNH-UHFFFAOYSA-N 436.468 4.064 5 20 IIBD C[C@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)N1CCc2sccc2C1 26580815 NMHWMRIPJRVVGX-AWEZNQCLSA-N 435.574 4.214 5 20 IIBD O=C(COC(=O)CCC(=O)c1ccc(Cl)cc1)Nc1cc(Cl)ccc1[N+](=O)[O-] 28300722 VVPFHWPNILHJJK-UHFFFAOYSA-N 425.224 4.046 5 20 IIBD Cc1ccccc1[C@H](C)NC(=O)[C@H](C)OC(=O)Cn1c2ccccc2c(=O)c2ccccc21 28775018 UEJFDHVKXYHKDR-OALUTQOASA-N 442.515 4.272 5 20 IIBD O=C(NCCOCC(F)(F)F)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 29100884 YXWUIGNSVMIRHI-UHFFFAOYSA-N 431.798 4.169 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2C(=O)N(C)CC2CCCC2)c1 58294469 XOWXDRLZWOAVSN-UHFFFAOYSA-N 445.541 4.275 5 20 IIBD Cn1cc(C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)c(-c2ccc([N+](=O)[O-])cc2)n1 58771654 MIJLTFHDCDXKRE-LJQANCHMSA-N 442.422 4.404 5 20 IIBD COc1ccc(OCCN(C)C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 60532443 UPRJZIBKQSKNNQ-UHFFFAOYSA-N 444.431 4.252 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NCc2ccc(COCC(F)(F)F)cc2)c([N+](=O)[O-])c1 64113201 QJMHJARPEWJRHX-UHFFFAOYSA-N 448.401 4.250 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 71933508 STJLEOIZZKJRKA-QGZVFWFLSA-N 436.390 4.099 5 20 IIBD COc1cc(C(=O)N[C@@H](C)Cn2ccnc2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 117719560 IZGDUMTUTRLHEI-ZDUSSCGKSA-N 430.848 4.064 5 20 IIBD O=C(OCc1noc(-c2ccc(F)cc2)n1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 215952610 WEXYQYZHLBPNMS-UHFFFAOYSA-N 426.385 4.264 5 20 IIBD O=C(c1cc(NCCc2ccc(F)c(Br)c2)ccc1[N+](=O)[O-])N1CCCC1 301122689 SYRCJXVDLJNJJY-UHFFFAOYSA-N 436.281 4.387 5 20 IIBD O=C(c1cc(N2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)ccc1[N+](=O)[O-])N1CCCC1 301725386 UQRRRUYYGINOEO-QPPBQGQZSA-N 448.567 4.322 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC(C(F)(F)F)(C(F)(F)F)C1 303724935 XBLQLMUASYYNRY-UHFFFAOYSA-N 442.359 4.498 5 20 IIBD CSc1ccccc1[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 410255342 WYMRDLRAGICGCF-BEFAXECRSA-N 427.526 4.107 5 20 IIBD CCOc1cc(NC(=O)N[C@@H](C)c2cccc(NC(C)=O)c2)c([N+](=O)[O-])cc1OCC 410289619 PPNAHLMVMCITSK-ZDUSSCGKSA-N 430.461 4.233 5 20 IIBD CN(Cc1ccccc1OC(F)(F)F)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 427916993 NUWFWMFYTIHXOQ-UHFFFAOYSA-N 435.358 4.079 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC(n2c(O)nc3ccccc32)CC1 437151707 ZJVLVYGLAKKRSF-UHFFFAOYSA-N 434.374 4.146 5 20 IIBD Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)cc1F 439415511 ZUZUAPCGICUSQO-UHFFFAOYSA-N 441.503 4.334 5 20 IIBD Cc1cc(NC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)nn1C 439594477 IPTVIODGGGHMPY-UHFFFAOYSA-N 425.495 4.650 5 20 IIBD O=C(CN1CCC[C@@H](c2nc3ccc(F)cc3o2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] 443637963 HKTYSPIGYGDUIH-GFCCVEGCSA-N 432.839 4.347 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 443716722 HPRFOKIAQMTDHZ-LLVKDONJSA-N 439.852 4.097 5 20 IIBD C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N(C)Cc1ccccc1 444000791 FTQWRHIMOXOERB-HNNXBMFYSA-N 435.474 4.210 5 20 IIBD CO[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccc(F)cc1 444125647 JTRRKNIGBYQNLA-HXUWFJFHSA-N 426.394 4.216 5 20 IIBD C[C@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)[C@H]1CCCN(C2CCC2)C1 444306609 WXZPCVWWAGJRQJ-GJZGRUSLSA-N 439.506 4.342 5 20 IIBD CC(C)(O)C1CN(C(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C1 444564612 AARYSEUXIQCJEG-WJDWOHSUSA-N 437.521 4.365 5 20 IIBD C[C@H](NC(=O)Cc1noc([C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n1)c1ccccc1 445306620 ZGHXOUUNKSSERY-QWHCGFSZSA-N 430.848 4.191 5 20 IIBD C[C@@H]1CCc2c(sc3nc(CCc4nc(-c5ccc([N+](=O)[O-])s5)no4)nc(O)c23)C1 445486704 OZJKXGPSTHHFTM-SECBINFHSA-N 443.510 4.327 5 20 IIBD CC(C)(OCC(=O)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1)C(F)(F)F 448314089 WRLOCTKNDMDRFN-UHFFFAOYSA-N 438.362 4.337 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)cc1[N+](=O)[O-] 460485701 FLDDUSGNCZKVMI-YXJHDRRASA-N 429.477 4.136 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(S(=O)(=O)c3cc(Cl)sc3Cl)CC2)cc1 462568904 ZPIOUGGKNDNNGO-UHFFFAOYSA-N 437.326 4.195 5 20 IIBD C[C@@H](CNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Oc1ccccc1F 463950058 RSHSXGPKRRXJOO-NSHDSACASA-N 432.395 4.429 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2cccc(CC(F)(F)F)c2)cc1[N+](=O)[O-] 464424191 ANOCXKMSZBCNDR-UHFFFAOYSA-N 437.403 4.232 5 20 IIBD CCCOc1ccc(NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1OCCC 465060682 TWCCRXHWNSQBRV-UHFFFAOYSA-N 430.457 4.125 5 20 IIBD CC(C)(C)c1cc(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)n(-c2ccccn2)n1 466921368 KHUPVQUYCNMXGR-UHFFFAOYSA-N 428.880 4.448 5 20 IIBD CSc1cccc(C(=O)NCc2nc(-c3cccc(Br)c3)no2)c1[N+](=O)[O-] 468619976 QJUBMYGNXKBKTB-UHFFFAOYSA-N 449.286 4.059 5 20 IIBD Cc1ccc(NC(=O)C(=O)N(C)[C@@H](C)c2sc(-c3ccccc3)nc2C)cc1[N+](=O)[O-] 469652533 PRVNFAMHSOWSQN-HNNXBMFYSA-N 438.509 4.493 5 20 IIBD Cc1cnn(Cc2ccccc2F)c1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 470195745 QMJIPKCRQQZARR-UHFFFAOYSA-N 437.475 4.142 5 20 IIBD C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br 472501422 NUQKWQLGLVEYQG-QVDMIQRCSA-N 446.345 4.244 5 20 IIBD COc1ccc(CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C(C)(C)C)c(OC)c1 474160543 VWJITFYUQAKYFT-UHFFFAOYSA-N 443.500 4.211 5 20 IIBD CC(C)c1cccc2c1CCN(C(=O)c1ccc(Sc3nncn3C)c([N+](=O)[O-])c1)C2 475043166 VEZGTWFSYMMRFR-UHFFFAOYSA-N 437.525 4.196 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H](CO)Cc1ccccc1C(F)(F)F 475638606 KMSLIFXMAVWKFE-AWEZNQCLSA-N 425.407 4.203 5 20 IIBD O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CC=C(c2ccccc2C(F)(F)F)CC1 478405758 KTLHSDXHZNFJDY-UHFFFAOYSA-N 443.385 4.124 5 20 IIBD CC(C)(C)NC(=O)N1CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 478640365 ULZFWFDWLHVEBW-UHFFFAOYSA-N 442.541 4.012 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 479038086 CNBPENAJOWNHDP-HXUWFJFHSA-N 429.542 4.282 5 20 IIBD CCc1nc(NC(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)n[nH]1 479080764 NYWSHDMMALBHRJ-SDNWHVSQSA-N 434.481 4.454 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC=C(c3ccc(F)cc3)CC2)cc1OC 479474204 RAUHPRKPEIHMJJ-GOSISDBHSA-N 444.459 4.134 5 20 IIBD CCOC(=O)c1sc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)nc1-c1ccccc1 479519724 VNEDRCDHKFLBOB-UHFFFAOYSA-N 437.437 4.024 5 20 IIBD COc1ccc(-n2c(SCc3c([N+](=O)[O-])ncn3C)nnc2-c2ccc(C)cc2)cc1 481379167 VMVRXHMPZYLQAT-UHFFFAOYSA-N 436.497 4.185 5 20 IIBD COCCN(C(=O)C[C@@H]1CCC[C@H](OC)C1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 483082221 AKSOSUYGLRNWMR-QAPCUYQASA-N 433.530 4.293 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)cc1SC 483607060 MBIPQTIDOZONDK-MRXNPFEDSA-N 434.489 4.286 5 20 IIBD CCC[C@H](C)N(C(=O)c1cccc([N+](=O)[O-])c1OC)c1nc(C)c(C(=O)OCC)s1 483623345 VNJJCIFBYQVCDW-LBPRGKRZSA-N 435.502 4.380 5 20 IIBD CC(=O)N(c1nnc(Sc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)s1)C1CC1 485405758 ZPVDSHAWLVUMGY-UHFFFAOYSA-N 431.474 4.314 5 20 IIBD CCOC(=O)c1cc(C(=O)NCc2ccc(OC)c(OC3CCCC3)c2)cc([N+](=O)[O-])c1 485433379 DEAJJHCBOMSQBB-UHFFFAOYSA-N 442.468 4.032 5 20 IIBD CNC(=O)c1ccc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)nc1 485923348 JXXRJFIUTONNJZ-UHFFFAOYSA-N 426.816 4.047 5 20 IIBD CCCN(CCC)C(=O)c1cccc(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)c1 485939335 HUUUYKXSZRLSGJ-UHFFFAOYSA-N 441.484 4.204 5 20 IIBD O=C(c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)cc1)C1CCC1 486083233 ZYFLQGHAVMJKMM-UHFFFAOYSA-N 439.287 4.141 5 20 IIBD O=C(NCCc1nc2c(s1)CCCC2)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 486438051 WNBOSWNSTHKKEC-UHFFFAOYSA-N 437.521 4.482 5 20 IIBD C[C@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 488031378 DGUTWTJLSKSTDJ-LIRRHRJNSA-N 437.418 4.328 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 488945826 QQPSFIBQCATTGV-OAHLLOKOSA-N 433.306 4.375 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2F)c([N+](=O)[O-])cc1OC 490916032 VSXOLZNGENEHQI-UHFFFAOYSA-N 434.420 4.349 5 20 IIBD Cc1ccc([C@H](C)NC(=O)Nc2ccc(N3CCOCC3)c3ccncc23)cc1[N+](=O)[O-] 493075491 FUJGLKHKMALNQN-INIZCTEOSA-N 435.484 4.171 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCO[C@@H](c2ccc(Br)cc2)C1 498168425 CSRRQCGCTZMLHF-GOSISDBHSA-N 442.269 4.119 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 498834123 MORMBLKXMQSOMM-LBPRGKRZSA-N 439.438 4.406 5 20 IIBD COc1ccc(CN(CC2CC2)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(OC)c1 501694591 OLRQSISULIYUCY-UHFFFAOYSA-N 439.512 4.265 5 20 IIBD CC[C@H](CSc1ccc(C)c(C)c1)NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 502267672 JGVRHRSAIJVDOK-OAHLLOKOSA-N 449.960 4.282 5 20 IIBD COCc1cc(CNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1F 502311696 VIUWXKQRPMFCEG-UHFFFAOYSA-N 432.395 4.308 5 20 IIBD C[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccc(NC(=O)c2ccncc2)cc1 504245555 WOHAFAXPSZBPHU-MRXNPFEDSA-N 443.463 4.074 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 507539900 ZUDSVUMRGJRPRC-AWEZNQCLSA-N 438.509 4.024 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(I)cn1 507664387 GGVINBBWPMSUSW-UHFFFAOYSA-N 443.266 4.347 5 20 IIBD O=C(COc1nc(-c2ccccc2Cl)no1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 508817978 GPWVHXJZILOWPL-UHFFFAOYSA-N 442.737 4.335 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 510147747 OFNHBRWCKRHGMS-WSTZPKSXSA-N 427.570 4.492 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 510418762 ZHQQSXUAXSILMQ-MRXNPFEDSA-N 449.332 4.037 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@H](c1cccc2ccccc12)C(F)(F)F 511693802 YCKQCMHZUZLPDA-LJQANCHMSA-N 445.353 4.076 5 20 IIBD COc1ccc(Cl)cc1-c1cc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)n[nH]1 512854908 LHQQRPKOZGRVCW-UHFFFAOYSA-N 438.831 4.085 5 20 IIBD Cn1cc(CNCc2cc(F)c(F)cc2Br)c(-c2ccc([N+](=O)[O-])cc2)n1 513018273 XVMBPDULWIUEOD-UHFFFAOYSA-N 437.244 4.326 5 20 IIBD Cn1cc(CN2CCO[C@H](c3ccc(OC(F)F)cc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 513724190 DNZPRBYBMUJUAZ-FQEVSTJZSA-N 444.438 4.170 5 20 IIBD O=C(c1nn(-c2ccccc2)c2c1CCC2)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 514567721 ODIXKWHLSCHRFK-UHFFFAOYSA-N 444.413 4.474 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC(c4nc(C)no4)CC3)cc2[N+](=O)[O-])n1 515582797 BDMIZIMMQCBNNT-UHFFFAOYSA-N 445.526 4.222 5 20 IIBD CCOC(=O)c1cc(C(=O)N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)cc([N+](=O)[O-])c1 516327987 PQUWDKKFSZPKAL-LBPRGKRZSA-N 440.374 4.204 5 20 IIBD Cc1cc(COc2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2Br)on1 520687552 SRLBPVMLWORRFI-UHFFFAOYSA-N 432.230 4.485 5 20 IIBD Cc1ccc(CNC(=O)c2cccc(CNC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)c2)cc1 522894730 WWMUFMBIPDMERC-UHFFFAOYSA-N 437.883 4.417 5 20 IIBD O=C(NC1CCN(Cc2cccnc2)CC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 524462793 HFIZREGXMQPLEN-UHFFFAOYSA-N 431.496 4.128 5 20 IIBD Cc1cc(S(=O)(=O)Nc2cccc(NC(=O)c3ccccc3)c2C)ccc1[N+](=O)[O-] 524549199 PZQZFKOZTDRHLH-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(C)c(OCC3CCOCC3)c2)c([N+](=O)[O-])cc1OC 524949355 RMVDVKCTHYVMEZ-UHFFFAOYSA-N 444.484 4.368 5 20 IIBD COC(=O)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)c2ccccc21 530501829 TWIYUCQJPRDVMH-FQEVSTJZSA-N 448.431 4.313 5 20 IIBD O=[N+]([O-])c1cc2c(c(CN3CCC[C@@H](c4nc(C(F)(F)F)cs4)C3)c1)OCOC2 532743023 LBYAUCJUPAANKQ-LLVKDONJSA-N 429.420 4.316 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 533925008 KIWUWBGEUPTKOD-NRFANRHFSA-N 426.904 4.225 5 20 IIBD Cc1sc(NC(=O)C[S@@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c(C)c1C 535511238 PLIVXAUARSIXOL-LJAQVGFWSA-N 433.511 4.124 5 20 IIBD CCOC(=O)c1nc(CC)oc1NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 537900962 FNJSOZGWOFIYFT-KBPBESRZSA-N 444.488 4.057 5 20 IIBD CCOc1cc(CN(C)C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)ccc1OC(F)F 541614522 SEOKGYHWOPNLNW-GFCCVEGCSA-N 426.391 4.496 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC(N3CCCCC3=O)CC2)cc1OC 543841359 LKZDVQWASKFEDU-KRWDZBQOSA-N 433.549 4.005 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 543914374 GSDFYHDTPFTXED-DGCLKSJQSA-N 446.813 4.095 5 20 IIBD Cc1cc(Cc2noc(-c3nnn(-c4ccc(OC(C)C)cc4)c3C)n2)ccc1[N+](=O)[O-] 545849548 JEUCKRMJBIGHLB-UHFFFAOYSA-N 434.456 4.220 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc([C@H]2CC(=O)N(c3ccccc3)C2)no1 546418245 NVZPOXYASPSRPB-OLZOCXBDSA-N 428.832 4.292 5 20 IIBD C[C@H]1CCCN1C(=O)c1ccc(-c2noc(-c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)n2)cc1 546557379 BCTVBGGGAWMRFM-HNNXBMFYSA-N 444.451 4.122 5 20 IIBD Cc1cc(NC(=O)N2CCN(Cc3ccc(Br)s3)CC2)ccc1[N+](=O)[O-] 546742812 UCXIYFSVGZFMFT-UHFFFAOYSA-N 439.335 4.077 5 20 IIBD O=[N+]([O-])c1ccccc1Cc1noc(-c2ccc(NS(=O)(=O)c3ccccc3)cc2)n1 546945903 MYSFYFPBQLLBFW-UHFFFAOYSA-N 436.449 4.036 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)NC(C)(C)COc2ncc(Cl)cc2Cl)c1 549006637 IIACIQRSKPOLJD-UHFFFAOYSA-N 428.272 4.283 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)c1 549087560 ZYTGFMYZMBWJJJ-CQSZACIVSA-N 448.317 4.012 5 20 IIBD O=C(Nc1ccc(F)cc1)Nc1cccc(OC[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 549812352 QNAPWINTFWUPJM-IBGZPJMESA-N 441.415 4.197 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2ccncc2OCc2ccccc2)cc1SC 552262640 HXZPUOLGOJAYFL-UHFFFAOYSA-N 439.493 4.229 5 20 IIBD O=[N+]([O-])c1cc2c(N3CCN(C4c5ccccc5-c5ccccc54)CC3)ncnc2s1 553510072 RRFWBDZEERYQOO-UHFFFAOYSA-N 429.505 4.492 5 20 IIBD O=C(CCC(F)(F)F)N1CCC[C@@H](N[C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 554095066 NBGUZLXUJUPBRY-NXHRZFHOSA-N 427.467 4.229 5 20 IIBD C[C@H](NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1nc2ccccc2[nH]1 554794901 AXGBFCFIFSTGJZ-JTQLQIEISA-N 445.266 4.455 5 20 IIBD O=C(Cc1noc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1)Nc1ccccc1Cl 557966192 MGIQDDIZGRCWNK-UHFFFAOYSA-N 427.848 4.080 5 20 IIBD CC[C@H](c1ccccc1)c1nnc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1CC(C)C 559088122 NVSAIAYTOYINJT-HXUWFJFHSA-N 437.548 4.422 5 20 IIBD O=C(c1ccc(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1F)N1CCOCC1 559998854 GKHVVVPFAZQXGU-UHFFFAOYSA-N 425.416 4.078 5 20 IIBD Cc1nn(CCC(=O)N[C@@H]2c3cccc(Br)c3CC2(C)C)c(C)c1[N+](=O)[O-] 561522967 OVGKZDQWMIVEQK-GOSISDBHSA-N 435.322 4.001 5 20 IIBD COc1ccc(OC)c(CN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C(C)(C)C)c1 567181649 AIQWBWGDJAYBHO-UHFFFAOYSA-N 432.473 4.070 5 20 IIBD CS(=O)(=O)c1cc(-c2nc(C3(c4c(F)cccc4F)CCCC3)no2)cc([N+](=O)[O-])c1 569889650 PFWRZMDUXQDXNC-UHFFFAOYSA-N 449.435 4.187 5 20 IIBD CN(C)c1cccnc1CNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 573966614 WCOWKSQUTGREAK-UHFFFAOYSA-N 428.496 4.198 5 20 IIBD C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCOc2ccc([N+](=O)[O-])cc2C1 583923972 APKGTKKQCCOXNL-NSHDSACASA-N 443.809 4.489 5 20 IIBD Cc1nc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)sc1Cc1c(F)cccc1F 583970238 GODTVGVSZCLWHP-UHFFFAOYSA-N 433.392 4.210 5 20 IIBD Cc1nc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc2c1CCCC2 585708995 HRKYQUYWUSAXFO-UHFFFAOYSA-N 426.420 4.322 5 20 IIBD O=C(COc1cccc2cccnc12)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 589251565 SZVNRKYOIJQNDQ-UHFFFAOYSA-N 427.416 4.392 5 20 IIBD CC(=O)c1ccc(NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cc1 603448762 CBYRJABGJDYWHL-UHFFFAOYSA-N 431.448 4.347 5 20 IIBD CCOc1cc(NC(=O)N[C@H](c2ccccc2)c2nccn2C)c([N+](=O)[O-])cc1OCC 603651255 CQENJFOQKNHDOW-HXUWFJFHSA-N 439.472 4.037 5 20 IIBD C[C@H](NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)c1cccc2ccccc12 603747031 RZRAMMUFTKZUDS-HNNXBMFYSA-N 438.509 4.038 5 20 IIBD COc1cc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)ccc1NC(C)=O 603775049 JNOASXCDJKQEEF-HUUCEWRRSA-N 440.500 4.296 5 20 IIBD CCCCc1c(C)nc2nc(S[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])nn2c1C 603917902 LTYMWTKQZKFMIY-AWEZNQCLSA-N 428.518 4.111 5 20 IIBD COc1ccc(Cl)cc1N1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 608837655 UGJPXTKALAHVKT-LBPRGKRZSA-N 425.272 4.311 5 20 IIBD CCOc1cc(NC(=O)N[C@H](c2ccccc2)[C@H]2CCCO2)c([N+](=O)[O-])cc1OCC 608840541 KMYACLLAKAXPFL-WIYYLYMNSA-N 429.473 4.434 5 20 IIBD Cc1ccc(COc2ccc(C[C@H](C)NC(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1 608922530 JPOCTMZGFYSETE-SFHVURJKSA-N 447.491 4.168 5 20 IIBD Cc1sc(NC(=O)Cc2nnc(-c3ccccc3)n2C)nc1-c1cccc([N+](=O)[O-])c1 609097418 FHVMRVOCXKZCJR-UHFFFAOYSA-N 434.481 4.003 5 20 IIBD O=C(NCCc1ccc(OC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1Br 610040800 HMWYJUUNKGXLAT-UHFFFAOYSA-N 433.180 4.228 5 20 IIBD COc1ccc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2Br)cc1OC 610062864 CLNVZGXXZKKSBN-INIZCTEOSA-N 435.274 4.352 5 20 IIBD CN(C)C(=O)COc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)c1 611205080 HPRKCKYYAHEVNT-UHFFFAOYSA-N 443.525 4.349 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C(F)(F)F)CC[C@@H]1C 611549499 UUQMJOWBRFSCNH-NWDGAFQWSA-N 434.436 4.053 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@]3(C2)C(=O)Nc2ccccc23)cc1OC 614584090 ZLBHIHLQSPWNFD-GYCJOSAFSA-N 439.512 4.124 5 20 IIBD O=C(Nc1ccc(OS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1)c1cccs1 725816529 HLUWILGKMGUKSD-UHFFFAOYSA-N 438.870 4.330 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1SC 728514878 NLHIKSQRTVQAHF-UHFFFAOYSA-N 425.850 4.159 5 20 IIBD O=C(COC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1c(F)cc(F)cc1Br 730645173 YHZWQBQSYVBXKN-UHFFFAOYSA-N 449.591 4.084 5 20 IIBD O=C(OCc1cnc2ccccc2c1)c1cc([N+](=O)[O-])ccc1I 730698561 SITMLVAERWRILA-UHFFFAOYSA-N 434.189 4.105 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3[C@H](C)CO[C@H](c4ccccc4)[C@H]3C)cc2)c(C)c1[N+](=O)[O-] 732016756 FVBNKJBAIGXSIZ-XKPFWTEKSA-N 448.523 4.447 5 20 IIBD CC(C)Oc1cccc([C@H](O)CNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c1 735075567 BWHZRGIWHZOJOU-MRXNPFEDSA-N 429.351 4.455 5 20 IIBD O=C(NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F)c1cc2cc([N+](=O)[O-])ccc2o1 735223597 SSVWMBRONMHUJI-UHFFFAOYSA-N 448.762 4.132 5 20 IIBD O=[N+]([O-])c1cccc(CNc2nc(NCc3cccc([N+](=O)[O-])c3)c([N+](=O)[O-])s2)c1 735487009 OLTGGGARORADJF-UHFFFAOYSA-N 430.402 4.092 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)OCc2nnc(-c3cccc(F)c3)o2)CC1 741820810 OGMLMILTRWIKFX-UHFFFAOYSA-N 440.431 4.377 5 20 IIBD CC(C)(CNC(=O)COc1ccccc1[N+](=O)[O-])Sc1ccc(Br)cc1 742733401 WSIMMRYAMSVUCD-UHFFFAOYSA-N 439.331 4.423 5 20 IIBD CC(C)(C)[C@H]1CCc2c(sc(=O)n2CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 743391725 XMZVEGBZENLXPN-INIZCTEOSA-N 445.585 4.470 5 20 IIBD COC(=O)c1ccc(Br)c(C)c1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 744381191 ORCOLXXFLLJFSL-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1nc(Cc2ccccc2)no1 744553576 DGSLISIEEXPTDZ-INIZCTEOSA-N 436.468 4.477 5 20 IIBD O=C(OCc1ncc(-c2ccc(Br)cc2)o1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 744767035 OLWUVWNZIGEWDT-UHFFFAOYSA-N 448.185 4.278 5 20 IIBD CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)OCc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 745348187 GFZHZQPLMOJOOG-UHFFFAOYSA-N 447.875 4.079 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1ccccc1Br 747119430 QUQMOMKKDXUMQF-UHFFFAOYSA-N 447.163 4.172 5 20 IIBD Cc1c(C(=O)O[C@H](C)C(=O)N2c3ccccc3CC[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748947511 MPTHYXLAEKMKPB-IUODEOHRSA-N 441.440 4.033 5 20 IIBD CN(C)[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1ccsc1 750842849 CIGLKCLIYXKEET-CYBMUJFWSA-N 432.727 4.105 5 20 IIBD CC(C)C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)C(=O)OC(C)C 750879975 NPAGZDOKIZMTSG-LBPRGKRZSA-N 435.702 4.107 5 20 IIBD O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCC(OC[C@H]2CCCO2)CC1 751420077 VXFCFEBZEMYNTM-OAQYLSRUSA-N 439.512 4.007 5 20 IIBD C[C@@H]1C[C@H](N(C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCN1Cc1ccccc1 753917602 WJUICVZBNYSTFE-IEBWSBKVSA-N 428.508 4.047 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC[C@@H]1C[C@H](O)c1cccs1 755016211 IBLIEINZJOZLEI-RISCZKNCSA-N 443.294 4.286 5 20 IIBD CCCC(=O)Nc1ccc(CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1 755036489 XOMRIPOJNDQJKZ-UHFFFAOYSA-N 435.278 4.418 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1SC 755873535 VUOJDPIOVKTUJY-DOTOQJQBSA-N 430.526 4.393 5 20 IIBD CCc1c(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])noc1-c1ccc(Cl)s1 756923642 YOUWDQGTAOCGFW-UHFFFAOYSA-N 431.854 4.467 5 20 IIBD COc1ccc(CNC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccsc2)cc1[N+](=O)[O-] 757182212 LWUZLBRYTRCXFX-HXUWFJFHSA-N 441.509 4.110 5 20 IIBD CN(C(=O)COC(=O)c1cncc(-c2ccc(Cl)cc2)c1)c1ccc([N+](=O)[O-])cc1 758113293 ZLBNHEJCPCNDGC-UHFFFAOYSA-N 425.828 4.130 5 20 IIBD C[C@@H](OC(=O)c1ccccc1CCC(F)(F)F)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 758929417 YOHIGIRGMXIOGC-LLVKDONJSA-N 428.338 4.413 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)OCC(=O)N(Cc1ccco1)c1ccccc1 759144329 BOXUTJMBKFQOLL-UHFFFAOYSA-N 426.450 4.057 5 20 IIBD C[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Br)cc2)no1 760828564 KDJUPTZJMAAVDY-KBVBDRTLSA-N 443.257 4.298 5 20 IIBD CC[C@@H](OC1CCCCC1)C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 761548258 IRFXHFMRZJLXQZ-MRXNPFEDSA-N 432.395 4.223 5 20 IIBD C[C@H](C(=O)Nc1cccc(OCCNC(=O)OC(C)(C)C)c1)c1cccc([N+](=O)[O-])c1 761706606 VPCIPBAUXOHTLJ-HNNXBMFYSA-N 429.473 4.241 5 20 IIBD C[C@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1cc(Cl)ccc1F 762988326 JEIPBUGJKCNASC-JTQLQIEISA-N 426.803 4.374 5 20 IIBD O=[N+]([O-])c1cccc(F)c1OS(=O)(=O)c1c(Cl)cc(F)cc1Br 766563769 KQPOFRKSBAKTHM-UHFFFAOYSA-N 428.594 4.057 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccc(OC(F)F)cc2OC(F)F)cc([N+](=O)[O-])c1F 768266261 ARMBWERRFYMPMS-UHFFFAOYSA-N 442.318 4.046 5 20 IIBD COc1ccc(-c2nc(COC(=O)c3cccc(OC)c3[N+](=O)[O-])cs2)cc1OC 769576631 JLNQSZHXXWKZNM-UHFFFAOYSA-N 430.438 4.101 5 20 IIBD COCCOc1ccc(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)c(Cl)c1 769948963 VTCTYNDUAWIVGF-UHFFFAOYSA-N 432.816 4.285 5 20 IIBD O=C(Cc1noc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1)Nc1cc(Cl)ccc1Cl 771007681 GLPFHCUNLOTCFH-UHFFFAOYSA-N 438.183 4.041 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CCC[C@H](C[C@H]2CCOC2)C1 773932827 MEJSSPDKOINBJA-VXGBXAGGSA-N 431.714 4.290 5 20 IIBD O=C(N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F)C(F)(F)c1ccc([N+](=O)[O-])cc1 777943337 GICGESPRTZMTEP-UHFFFAOYSA-N 433.289 4.186 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 778714326 DTULCBOMMJFKHO-DZGCQCFKSA-N 446.529 4.094 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H](O)c1ccc(Cl)cc1Cl 778736103 GRMCLKMKOCFBQC-INIZCTEOSA-N 432.691 4.130 5 20 IIBD COc1cc(CN2CCCC[C@@H]2[C@@H](O)c2ccccc2)c([N+](=O)[O-])cc1OCC(F)F 779001672 ICUJPEFKOCGFAK-VGSWGCGISA-N 436.455 4.335 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1c(O)c(Cl)cc(Cl)c1Cl 781016595 ZGDRQLVFAHLNHY-UHFFFAOYSA-N 449.630 4.099 5 20 IIBD COc1nc(Br)ccc1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 791020173 LEEBSLPAXLGWHM-UHFFFAOYSA-N 445.067 4.084 5 20 IIBD CCc1ccccc1NC(=O)[C@H](C)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 792892629 QTMMDXWFUVBZRJ-ZDUSSCGKSA-N 432.318 4.305 5 20 IIBD CC1CCC(OCC(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 795949097 CSHMCZYEPKQGNP-LXVYMNJGSA-N 432.395 4.079 5 20 IIBD CN(C(=O)COC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1nccs1 801289892 NTRKHPOMPHMRTG-UHFFFAOYSA-N 429.479 4.022 5 20 IIBD CCN(C(=O)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)cc1)c1ccccc1 801825313 BGHFCBFJWJVERC-UHFFFAOYSA-N 436.443 4.164 5 20 IIBD Cc1c(C(=O)Nc2nc(CN3CCCCCC3)cs2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 802446949 BWRRBGLBRUTLOM-UHFFFAOYSA-N 433.490 4.205 5 20 IIBD C[C@H](Cc1cncc2ccccc12)C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 805877810 UDRJAIHLNNTKID-YLJYHZDGSA-N 447.491 4.170 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCc2nc(NC(=O)CCc3cccc([N+](=O)[O-])c3)sc2C1 807786106 DIJSKOXCQRDXFH-AWEZNQCLSA-N 446.529 4.005 5 20 IIBD COc1ccc([C@H](O)C2CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC2)cc1 812642680 YAPJBMUISLVBAR-IBGZPJMESA-N 438.402 4.208 5 20 IIBD CN(CCc1cccc(Br)c1)C(=O)c1cccc([N+](=O)[O-])c1Br 812772305 KCILHOOWOXNLCP-UHFFFAOYSA-N 442.107 4.435 5 20 IIBD CC(C)CNC(=O)N1CCC[C@H](CC(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 815215370 VZSJJUKIMVBSES-CQSZACIVSA-N 445.438 4.125 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)CC[C@H]21 816999112 UELLQLDKUQIIHS-MLGOLLRUSA-N 443.422 4.085 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Oc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] 874981139 IWDWNEIGFOTFRE-UHFFFAOYSA-N 425.253 4.401 5 20 IIBD Cc1ccc(-c2noc(CCCOC(=O)CSc3ccccc3[N+](=O)[O-])n2)cc1F 913219518 CGLMGVBSSMUOPM-UHFFFAOYSA-N 431.445 4.360 5 20 IIBD O=[N+]([O-])c1cccc(-c2ncn(CN3CCC[C@@H]3c3cccc(Br)c3)n2)c1 917484190 WTEKXVQJYZNFML-GOSISDBHSA-N 428.290 4.410 5 20 IIBD O=C(c1cc(F)ccc1F)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 918587274 ATTFAXDWGTYQIE-UHFFFAOYSA-N 443.450 4.208 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1 1115957837 CHGORIPCOLHJGP-UHFFFAOYSA-N 425.832 4.190 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H](NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C1CCCCC1 1116168818 QRNIVMLAZCGCMY-LJQANCHMSA-N 432.521 4.094 5 20 IIBD COC(=O)N1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CC1 1318129818 DFVNRPCQLJWMQS-UHFFFAOYSA-N 449.916 4.314 5 20 IIBD O=[N+]([O-])c1ccc(Sc2ccc(-c3nnc(-c4ccc(-n5cnnn5)cc4)o3)cc2)cc1 1330046549 MEJVGLKNTUNSMT-UHFFFAOYSA-N 443.448 4.439 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)Nc2n[nH]c3ccc(F)cc23)cc1[N+](=O)[O-] 1337007903 POUSJCCVAHGMBN-UHFFFAOYSA-N 447.426 4.160 5 20 IIBD CN(CC(=O)NCCSc1ncc(C(F)(F)F)cc1Cl)c1ccccc1[N+](=O)[O-] 1339234858 SOBUTYXLTMIQEV-UHFFFAOYSA-N 448.854 4.007 5 20 IIBD CO/C=C(\C)C(=O)NC1(c2ccc(NC(=O)CCc3cccc([N+](=O)[O-])c3)cc2)CCC1 1786602761 QQMRDKCDGSRHKO-WUKNDPDISA-N 437.496 4.212 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3onc4ccccc34)cc2)CCC1)c1ccc([N+](=O)[O-])[nH]1 1790904795 VJZZHWMKHPSXSR-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])NC1(c2ccc(NC(=O)CC3(O)CCC3)cc2)CCC1 1792031995 UAYVUYABACKOTR-KPKJPENVSA-N 449.507 4.047 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@H]2CCCCN2C(=O)C2CC3(CCC3)C2)CC1 1832470725 VIJXAXFMXWCIKZ-GOSISDBHSA-N 429.517 4.001 5 20 IIBD C[C@@H](C(=O)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)C1)c1ccc(Cl)cc1 1845313714 JWBMQZRKEXPZLQ-CQSZACIVSA-N 445.878 4.008 5 20 IIBD Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N2CCCC[C@@H]2C)n1 3519770 UZYPONDYIHHCGJ-ZDUSSCGKSA-N 435.527 4.069 5 20 IIBD O=C(COC(=O)c1ccccc1NCc1ccco1)Nc1cc(Cl)ccc1[N+](=O)[O-] 9023068 YCODPYSDBMHMAQ-UHFFFAOYSA-N 429.816 4.249 5 20 IIBD CC[C@@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 10840850 AHMYGHPURMSSSP-OAHLLOKOSA-N 431.905 4.409 5 20 IIBD Cc1c(NC(=O)c2nn(-c3cccc(C(F)(F)F)c3)c(C)cc2=O)cccc1[N+](=O)[O-] 18080035 ZLHWUMNJECVLSZ-UHFFFAOYSA-N 432.358 4.029 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)CSc1ccccc1[N+](=O)[O-] 18438131 PEVAZKKQQGHKAA-GFCCVEGCSA-N 438.889 4.228 5 20 IIBD CC(C)c1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 22165820 XVUYBHJCDOULAH-LBPRGKRZSA-N 446.920 4.467 5 20 IIBD CCOc1cc(CN(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1OC(F)F 26454393 QFOBBTGPRJUFKM-UHFFFAOYSA-N 434.399 4.277 5 20 IIBD CS(=O)(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cc1 26728728 FVMCRNONYHOHBR-UHFFFAOYSA-N 443.506 4.370 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)COc2cc(Cl)ccc2Cl)cccc1[N+](=O)[O-] 28500926 MWQNUCAVMHXNDW-NSHDSACASA-N 427.240 4.159 5 20 IIBD O=C(Cc1coc(-c2ccccc2)n1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 28689531 KZRCZKNUKFZJHL-UHFFFAOYSA-N 434.374 4.039 5 20 IIBD O=C(CCc1cccnc1)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 29473647 SKXNNJMGGCHJPA-UHFFFAOYSA-N 425.828 4.434 5 20 IIBD CNC(=O)Nc1cccc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1 29617308 OURARSFRUOJJOZ-HUUCEWRRSA-N 425.489 4.081 5 20 IIBD COc1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCCO2)cc1 29738435 SPCVXJNZGLZEJE-IBGZPJMESA-N 426.498 4.333 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@H](C)c3ccc(NC(N)=O)cc3)cc2[N+](=O)[O-])C1 58235970 FMDCKGYVJHAPAP-OWCLPIDISA-N 439.516 4.059 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCc3ccccc3CO)c([N+](=O)[O-])c2)c(C)c1 59949547 BHVYEYUBVSHSQB-UHFFFAOYSA-N 441.509 4.117 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCC(c2c[nH]c3ncccc23)CC1 65087757 WNAAPHUTKPCBPA-UHFFFAOYSA-N 448.401 4.432 5 20 IIBD CCN(CC)[C@@H](CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 65121954 JSUYGKLIOQRQMH-SFHVURJKSA-N 439.434 4.435 5 20 IIBD Cc1c(C(=O)NCC(C)(C)c2cccc(C(F)(F)F)c2)nnn1-c1cccc([N+](=O)[O-])c1 72089078 WEOIGJWMFUMYNS-UHFFFAOYSA-N 447.417 4.210 5 20 IIBD CCOc1ccc([C@@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc23)c2ccccc2)cc1 78777413 GBDGCWVJPIGKDB-DEOSSOPVSA-N 443.459 4.354 5 20 IIBD Cc1ccc(Br)cc1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 109754802 YYTDODCHXGQGNW-UHFFFAOYSA-N 440.681 4.078 5 20 IIBD COc1c(Br)cc(Br)cc1CNCc1ccc([N+](=O)[O-])cc1 237285852 UDFGKJBDRMXPEF-UHFFFAOYSA-N 430.096 4.418 5 20 IIBD COc1ccc(-c2ccc(CNc3cccc(CS(C)(=O)=O)c3C)o2)c([N+](=O)[O-])c1 237441387 ZGZBPFFSIUEVNQ-UHFFFAOYSA-N 430.482 4.329 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3c(C(N)=O)oc4ccccc34)cc2[N+](=O)[O-])C1 302757677 USGGBGZUVHFZFK-KBPBESRZSA-N 436.468 4.175 5 20 IIBD COc1ccc(CSCC(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)cc1[N+](=O)[O-] 409560108 BBBLHATYHLOKNH-GCJKJVERSA-N 430.526 4.121 5 20 IIBD C[C@@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1cc2c(cc1Br)OCCO2 429883047 IMTWHOPPZMEOCS-GFCCVEGCSA-N 449.301 4.284 5 20 IIBD O=C(Nc1cccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1)c1ccncc1 431634453 NFCXZAINMAPWST-UHFFFAOYSA-N 441.241 4.257 5 20 IIBD CN1C(=O)N(Cc2ccc([N+](=O)[O-])cc2Cl)C(=O)[C@@H]1c1cccc(Br)c1 432013348 QNNDHCGVFRQPPP-HNNXBMFYSA-N 438.665 4.146 5 20 IIBD COc1ccccc1-c1noc(C2CCN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC2)n1 432869311 VNOWIQVMSYVUNF-UHFFFAOYSA-N 448.439 4.087 5 20 IIBD CS[C@H]1CCCCN(C(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)C1 435724034 ROBNUAKCHTUCHY-KRWDZBQOSA-N 441.553 4.250 5 20 IIBD CN(C)[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1cccs1 435814339 UBKYWKSVVMICRI-SFHVURJKSA-N 427.476 4.054 5 20 IIBD Cc1c(CC(=O)Nc2ccc(Oc3ccc(S(C)(=O)=O)cc3)cc2)cccc1[N+](=O)[O-] 439106449 IWNFBYDXHFYLGF-UHFFFAOYSA-N 440.477 4.280 5 20 IIBD Cc1c(CC(=O)NCC2(c3cccc(Br)c3)CCOCC2)cccc1[N+](=O)[O-] 439125327 UKGKCWBMJDGMNN-UHFFFAOYSA-N 447.329 4.073 5 20 IIBD CCOc1cc(NC(=O)N[C@H](CO)c2cccc(Cl)c2F)c([N+](=O)[O-])cc1OCC 439346271 UETRGRSPMJUDER-CQSZACIVSA-N 441.843 4.040 5 20 IIBD Cc1cc(NC(=O)CNc2cc([N+](=O)[O-])ccc2Nc2cccc(C(F)(F)F)c2)n(C)n1 443539392 OMCGTMJDUFTNLF-UHFFFAOYSA-N 448.405 4.450 5 20 IIBD COc1cccc(O[C@H](C)CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 444083357 PLTSNRPQACDMON-CYBMUJFWSA-N 438.430 4.165 5 20 IIBD O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc(Oc2nc3ccccc3s2)c(Cl)c1 444436949 NZZZTFTYQSIQKB-UHFFFAOYSA-N 429.845 4.485 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NC[C@H](CCO)c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 444571068 BVNMBBOSNZDAKU-XLIONFOSSA-N 434.496 4.059 5 20 IIBD Cc1nc(CSc2ccccc2C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cs1 444644009 LZWJYFXMSCHYJD-UHFFFAOYSA-N 439.522 4.458 5 20 IIBD C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 444713978 IKEMDENOCPVOKU-VLIAUNLRSA-N 431.876 4.008 5 20 IIBD CCc1ccc(-c2nc(CC(=O)Nc3cc(C)c(Cl)cc3OC)no2)cc1[N+](=O)[O-] 445324657 TUPJZNCOGYHSPK-UHFFFAOYSA-N 430.848 4.359 5 20 IIBD Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 446421700 YKYZQIJNZPGARP-UHFFFAOYSA-N 427.457 4.276 5 20 IIBD O=[N+]([O-])c1cc(CNc2cc(-c3cccnc3)nn2CCO)ccc1Oc1ccc(F)cc1 447067661 OPELDJYHLWBYDH-UHFFFAOYSA-N 449.442 4.389 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3C[C@H](O)Cc4ccccc43)cc2[N+](=O)[O-])n1 447715810 QTHAKPOWKXTDTJ-OAHLLOKOSA-N 427.507 4.075 5 20 IIBD COc1cc(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)c([N+](=O)[O-])cc1OCc1cscn1 447773037 OFPZGXCKNQOXKS-DOTOQJQBSA-N 443.456 4.064 5 20 IIBD Cc1cccn2cc(COc3ccc(C(=O)NCCc4ccccc4[N+](=O)[O-])cc3)nc12 460483790 SMBMAMVPBAYDKD-UHFFFAOYSA-N 430.464 4.102 5 20 IIBD O=[N+]([O-])c1ccc(NCC2(c3ccc4c(c3)OCO4)CCOCC2)c(Br)c1 462082342 CCJKLFLSZRLALX-UHFFFAOYSA-N 435.274 4.246 5 20 IIBD O=C(NCc1cccc(NC(=O)N2CCCC2)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 463179437 CVMFPOXZIRPTHQ-UHFFFAOYSA-N 436.390 4.171 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCSc3ccc(Cl)cc32)c2ncccc12 464415833 BQWGHPKJJDDGSN-UHFFFAOYSA-N 435.914 4.488 5 20 IIBD COc1cc(CCNC(=O)N(C)[C@H]2CCC[C@@H]2c2ccc(C)cc2)c([N+](=O)[O-])cc1OC 465602264 RLPWEZDKRZVITG-UXHICEINSA-N 441.528 4.441 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC1(Cc2ccccc2)CCCCC1 466252025 NKNYWCHEJDZHGE-UHFFFAOYSA-N 437.496 4.345 5 20 IIBD CCOC(=O)[C@H](Cc1ccccc1Cl)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 471640416 YPICHZLYOIVFRO-HNNXBMFYSA-N 444.793 4.171 5 20 IIBD COC(=O)COc1ccc(CN[C@H]2CCOc3c(-c4ccccc4)cccc32)cc1[N+](=O)[O-] 474348331 GVLKRWYXJUCQBX-NRFANRHFSA-N 448.475 4.427 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O 474678912 ZLXFMJRJUJBQAO-AWEZNQCLSA-N 437.283 4.445 5 20 IIBD Cc1nc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)ccc1[N+](=O)[O-] 475319766 IDZHQSDVSIZCNX-ZDUSSCGKSA-N 437.283 4.096 5 20 IIBD COc1c(C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3F)cs2)cccc1[N+](=O)[O-] 476318553 IXBJWEWKFPGTQP-UHFFFAOYSA-N 430.417 4.077 5 20 IIBD CN(C(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC(C)(C)C1 478192441 DEGYQTRKFIYVKD-MRXNPFEDSA-N 431.514 4.046 5 20 IIBD O=C(NCc1cccnc1Oc1cccc(F)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 479068512 FPRXCHUFNSZFOA-UHFFFAOYSA-N 433.399 4.037 5 20 IIBD COCC1=CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)CC1 479799072 XPVQGXOMVRAPBK-UHFFFAOYSA-N 432.860 4.468 5 20 IIBD Cc1occc1C(=O)Nc1cc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)ccc1F 479977705 IZGSKMCGPQYSMP-UHFFFAOYSA-N 449.398 4.326 5 20 IIBD COc1cc(C(=O)NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cc([N+](=O)[O-])c1C 480591111 HKIXMKHDXYDIOS-VLIAUNLRSA-N 435.883 4.127 5 20 IIBD Cc1c(CNC(=O)c2cc(I)ccc2Cl)cccc1[N+](=O)[O-] 481475125 CJZYXSCQHVNECI-UHFFFAOYSA-N 430.629 4.091 5 20 IIBD NC(=O)c1ccc(CN2CCC(COc3ccccc3C(F)(F)F)CC2)c([N+](=O)[O-])c1 481570228 MLOZXYAFHALECO-UHFFFAOYSA-N 437.418 4.004 5 20 IIBD CCN1CCN(c2ccc(NC(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])c(C)c2)CC1 481672375 OLQKMLUUWSPAKA-UHFFFAOYSA-N 445.951 4.063 5 20 IIBD COc1ccc(CNC(=O)c2c(C)nn(Cc3ccc(Cl)cc3)c2C)cc1[N+](=O)[O-] 482037599 DLXQDVMMYJWUEQ-UHFFFAOYSA-N 428.876 4.048 5 20 IIBD CCOC(=O)c1csc([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 482960597 MMVZGDVJJDJWFB-AWEZNQCLSA-N 443.403 4.224 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Sc1nnc(N2CCOCC2)n1Cc1ccccc1 484519235 XPEGYTGSHIHTRR-QGZVFWFLSA-N 439.541 4.233 5 20 IIBD COC(=O)c1cc(NC(=O)CCc2ncc(-c3ccccc3F)o2)c(C)c([N+](=O)[O-])c1 485950887 HIJZDEGUQHMYMG-UHFFFAOYSA-N 427.388 4.055 5 20 IIBD CN1CCC[C@H](CN(C)C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C1 486724240 NOHATPKJWRFNQV-INIZCTEOSA-N 430.936 4.274 5 20 IIBD CC1(C)CN(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H]1c1cccnc1 488190731 SOFDKWLRNIRRKD-QGZVFWFLSA-N 437.422 4.213 5 20 IIBD O=[N+]([O-])c1ccc2oc(CN3CCC[C@H](c4nnc5ccc(C(F)(F)F)cn45)C3)nc2c1 493570698 AQIQJXMZSGGFCL-LBPRGKRZSA-N 446.389 4.177 5 20 IIBD COc1cc(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c([N+](=O)[O-])cc1OCc1cscn1 494063097 RUFCUMSEXHWHOS-ORIJERBGSA-N 431.514 4.193 5 20 IIBD C[C@H](CNC(=O)[C@@H](C)Sc1nc2cc3ccccc3cc2c(=O)n1C)c1ccccc1 495394907 VVWWFVVXDMQVQE-IAGOWNOFSA-N 431.561 4.487 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](c1cccc(F)c1)c1ccccn1 498878875 FJIGBAQAKYXTOJ-XCLFUZPHSA-N 429.835 4.455 5 20 IIBD CCC[C@H]1CCc2nc(NC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)sc2C1 500364710 XCQTZHVYVGLLDK-ZDUSSCGKSA-N 444.513 4.283 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)cc1OC 502203850 OEAOUORPRSIMRQ-LBPRGKRZSA-N 442.390 4.434 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C2CCN(c3ccc4cccc(O)c4n3)CC2)cc1[N+](=O)[O-] 509014314 GCSDZRRTJDZDAA-INIZCTEOSA-N 434.496 4.251 5 20 IIBD COc1ccc(-c2noc(CCCC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2)cc1 509719855 OOMIESXZFNHLRY-UHFFFAOYSA-N 438.484 4.413 5 20 IIBD COc1ccc(CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H](C)C2CC2)c(OC)c1 512564964 NDMMUIMGJCGSIV-OAHLLOKOSA-N 437.496 4.463 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N(C)CCCc2cc(-c3ccccc3)no2)cc1OC 513687202 NRHFOARPWPUYNH-UHFFFAOYSA-N 439.468 4.362 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@H](OCc3ccncc3)C2)c([N+](=O)[O-])c1 514662504 CAXVJEUFNRKUAM-URXFXBBRSA-N 446.507 4.269 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccc(Br)o2)cc1 515485245 PZRSORHYFGESKR-UHFFFAOYSA-N 444.241 4.133 5 20 IIBD COc1ccc(-c2csc(NC(=O)COc3ccc([N+](=O)[O-])c(OC)c3)n2)cc1Cl 520548048 JBVLDRKNKZBFNS-UHFFFAOYSA-N 449.872 4.406 5 20 IIBD O=C(CCOc1ccc(Cl)cc1Br)N1CCc2cc([N+](=O)[O-])ccc21 520713867 NHZSGYYZBPZMSF-UHFFFAOYSA-N 425.666 4.369 5 20 IIBD COc1ccc(C[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)c2ccc(OC)cc2)cc1 522238221 WSKQHIKTTWKBMS-HSZRJFAPSA-N 435.480 4.395 5 20 IIBD O=C(CSc1nnnn1C1CCCC1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 522673848 SOPOICQLVYWXSM-UHFFFAOYSA-N 440.485 4.220 5 20 IIBD C[S@](=O)Cc1cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1Cl 523731891 GKTFQLUTCMKEPH-PMERELPUSA-N 438.936 4.325 5 20 IIBD NC(=O)c1ccc(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)cc1F 524209993 CZDVKWODIKDKBN-UHFFFAOYSA-N 442.834 4.351 5 20 IIBD CC1CCC(NS(=O)(=O)c2ccc(N[C@@H](C)c3cnn(C(C)C)c3)c([N+](=O)[O-])c2)CC1 524303795 IOQILVRQWCMRHQ-PQUAAJSLSA-N 449.577 4.402 5 20 IIBD O=C(CCSc1ccc2c(c1)OCCCO2)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 525431607 SEQVSKWIGOBQHB-UHFFFAOYSA-N 446.481 4.038 5 20 IIBD CC(C)(C)n1cc(C(=O)NCCNc2ccccc2[N+](=O)[O-])c(-c2ccc(F)cc2F)n1 525629882 SHWOHCBJTRCZEF-UHFFFAOYSA-N 443.454 4.333 5 20 IIBD CCn1c(SCc2nc(O)c3ccc(Cl)cc3n2)nnc1-c1ccc([N+](=O)[O-])cc1 532635039 YTXHGSZSQKZQGB-UHFFFAOYSA-N 442.888 4.468 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(SCc2ccccc2)cn1 533140893 GRZWFJNOZYHIEK-KRWDZBQOSA-N 440.529 4.153 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)[C@@H]1CCCC[C@@H]1N(C)C1CCN(C)CC1 534205345 CCHUTMZCEMAZTL-LEWJYISDSA-N 431.581 4.013 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@@H](Cn4ccnn4)C3)o2)c(Br)c1 535809266 ORLAMUJSJMBUGJ-CQSZACIVSA-N 446.305 4.121 5 20 IIBD O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])cc1Br 536942170 ZUGXQVMGBGMVFT-JKSUJKDBSA-N 443.656 4.410 5 20 IIBD CC[C@@H](CSC)N(C)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 538032054 DPKDMPYCZAGVBY-HNNXBMFYSA-N 433.496 4.430 5 20 IIBD O=C(NC1CCCCC1)N1CCC(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 539501172 WPYKGRQFMPNLAX-UHFFFAOYSA-N 426.517 4.451 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CCN(CC2CCOCC2)CC1 542550591 FZPDEBKJGOGCQN-UHFFFAOYSA-N 447.601 4.062 5 20 IIBD Cc1c([N+](=O)[O-])cn(Cc2nc(-c3ccc(C(C)C)cc3)no2)c(=O)c1Br 543149317 NIKZTYFBQCZJOF-UHFFFAOYSA-N 433.262 4.049 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccnc(N2CCCCCC2)c1 544259003 NWFSYODENBSZRP-UHFFFAOYSA-N 434.949 4.432 5 20 IIBD COc1ccc(COc2ccc(-c3noc(CCc4cccc([N+](=O)[O-])c4)n3)cn2)cc1 545650869 MENUPTFCYRWWLK-UHFFFAOYSA-N 432.436 4.413 5 20 IIBD CSc1cccc(C)c1NC(=O)c1cc(I)cc([N+](=O)[O-])c1 546021435 RGTZUUPPGXPLCK-UHFFFAOYSA-N 428.251 4.482 5 20 IIBD COc1ccc(COCc2noc(-c3cc(Br)c(C)c([N+](=O)[O-])c3)n2)cc1 546392111 MTTYPYBFYPDBKD-UHFFFAOYSA-N 434.246 4.441 5 20 IIBD CC(C)(C(=O)NCCc1cc(Br)ccc1F)c1ccc([N+](=O)[O-])cc1F 547245923 FCTGZIJBKWQNAI-UHFFFAOYSA-N 427.245 4.272 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1S(=O)(=O)C(C)C 551484968 ZDCKMAJAQUSNGS-UHFFFAOYSA-N 441.303 4.100 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccncc1OCc1ccccc1 554024639 DYQPJZVRPGEDTO-UHFFFAOYSA-N 440.887 4.264 5 20 IIBD Cc1c([C@H](C)NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cnn1-c1ccc(F)cc1 555114366 LHQDDJNUMUSOFX-HNNXBMFYSA-N 425.464 4.173 5 20 IIBD C[C@@H](C(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1)c1cccc([N+](=O)[O-])c1 555737588 SHJKYPJGBYXHLA-CYBMUJFWSA-N 433.867 4.368 5 20 IIBD CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 559371958 SIBALNMEZHDJPN-QGZVFWFLSA-N 442.535 4.031 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H]1c1ccc(Br)cn1 559790950 LTWPRWYTSXRBRG-SFHVURJKSA-N 433.306 4.226 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCC(F)(c2cccnc2)CC1 560124175 XCFWRBAIBDAVMT-UHFFFAOYSA-N 427.354 4.032 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCCN(c2ccccc2Cl)CC1 560514178 TXIYXZWMJALUOZ-UHFFFAOYSA-N 428.920 4.201 5 20 IIBD O=C(NCCCCc1ccc(Cl)s1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 569872705 BODDVWXFXZNQMR-CYBMUJFWSA-N 441.962 4.115 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 569991998 XJETUPZKFICELM-UHFFFAOYSA-N 432.402 4.405 5 20 IIBD COc1ccc(-c2nsc(NC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)n2)cc1 576791488 BNWDKGKXWGQNMO-UHFFFAOYSA-N 425.470 4.318 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCC=C(c3ccccn3)C2)cc1[N+](=O)[O-])c1ccccn1 583040783 GNZDEXSNVMSIKI-QGZVFWFLSA-N 429.480 4.487 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CC[C@@H](C(F)(F)F)[C@H](CO)C1 587565215 JGZBDBQJZBNIBU-BLLLJJGKSA-N 432.464 4.262 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C(=O)c2cc3ccccc3s2)CC1 589373277 KPCCWBBAUUWTCF-UHFFFAOYSA-N 438.509 4.362 5 20 IIBD COc1cc(CCNC(=O)c2cc(Cl)ccc2Br)c([N+](=O)[O-])cc1OC 603496374 UNEOHOVJCIWHNZ-UHFFFAOYSA-N 443.681 4.000 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 603501346 JKANSBISYBSFIX-GASCZTMLSA-N 445.541 4.131 5 20 IIBD COc1cc(C(=O)Nc2cccc(-n3nc(C)cc3C)c2)c([N+](=O)[O-])cc1OC(F)F 603667180 XKZVOLCPYNJHFV-UHFFFAOYSA-N 432.383 4.260 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 604244265 PAYWXKQQDWTWAB-KRWDZBQOSA-N 448.479 4.170 5 20 IIBD COC(=O)[C@@H](C)CN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C1CC1 608851421 SJLQCUBBSYHXTB-ZDUSSCGKSA-N 432.860 4.454 5 20 IIBD CC(C)(C)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n(Cc2ccccc2)n1 608927750 LVERJQMVMASFRU-UHFFFAOYSA-N 432.477 4.077 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2nc(O)c3ccccc3n2)cc1[N+](=O)[O-])c1ccccn1 609439673 WGIKLTATXVEMPX-CYBMUJFWSA-N 430.424 4.064 5 20 IIBD Cc1cc(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)ccc1NC(=O)c1ccco1 609548590 MRFZZAPWMRCDOH-UHFFFAOYSA-N 432.392 4.255 5 20 IIBD CC[C@@](C)(O)CNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 609817899 RXKSBNKLCZEKIG-LJQANCHMSA-N 425.844 4.140 5 20 IIBD O=C(Nc1cccc2nc[nH]c12)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 609852402 NIRFFLXXQRNLPD-UHFFFAOYSA-N 433.390 4.345 5 20 IIBD CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 609873816 HZSFKVPZIKEZOI-UHFFFAOYSA-N 445.266 4.236 5 20 IIBD Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 609912941 RNIQSEIYVZGHAZ-OXQOHEQNSA-N 437.521 4.183 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2nc(C3CC3)sc2c1 610103591 JHLFLKDKJJORGP-UHFFFAOYSA-N 438.509 4.160 5 20 IIBD O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCC(Oc2ccccn2)CC1 610111245 ZELFJGRNVSWIFG-UHFFFAOYSA-N 432.480 4.286 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1CCC[C@@H](N2CCCC2)C1 610132981 OHQZBCRZMNTTMN-KNQAVFIVSA-N 442.947 4.488 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])N1CCc2c(F)cc(Br)cc2C1 610728068 RPZFQMBMLOEOPJ-UHFFFAOYSA-N 425.279 4.173 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCc3ccccc3[C@H]2C(C)C)cc1OC 610795075 WIAXEHDVYYVTDF-JOCHJYFZSA-N 428.485 4.024 5 20 IIBD O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 610959484 CMBXTWYYXNKLQN-LLVKDONJSA-N 429.345 4.148 5 20 IIBD COC(=O)c1cc(Br)cc(Oc2ncc([N+](=O)[O-])cc2Br)c1 611299017 IECXSSRLCBLXSM-UHFFFAOYSA-N 432.024 4.094 5 20 IIBD Cn1ccnc1[C@@H](NC[C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc([N+](=O)[O-])cc1 611560458 IZHKORXDLZDOLR-IERDGZPVSA-N 425.920 4.187 5 20 IIBD O=C(NCC1(c2ccccn2)CC1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 612422443 YMQUJYSPCJJRIJ-UHFFFAOYSA-N 448.445 4.073 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 614745932 ZEIFNXXBTLEMSA-UHFFFAOYSA-N 445.906 4.339 5 20 IIBD O=C(N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 725869678 YRRKTNHAMCBVNX-MJGOQNOKSA-N 434.418 4.001 5 20 IIBD CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Oc1c(C)cc(C)cc1[N+](=O)[O-] 730451165 FSLYIQZHDSSJBW-HNNXBMFYSA-N 437.539 4.482 5 20 IIBD CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Oc1c(C)cc(C)cc1[N+](=O)[O-] 730451166 FSLYIQZHDSSJBW-OAHLLOKOSA-N 437.539 4.482 5 20 IIBD C[C@H](OC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 731103064 LNRUXKQFEZHLTI-JTQLQIEISA-N 430.766 4.301 5 20 IIBD O=C(Nc1cccnc1)c1ccc(Oc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])cc1 731990119 ABXTZGWFPGSVBU-UHFFFAOYSA-N 449.391 4.031 5 20 IIBD C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 732136149 ULACOKYZPPRJER-MRXNPFEDSA-N 442.516 4.192 5 20 IIBD C[C@@H](Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 732228044 GYJDRAMCJVBRRJ-OAHLLOKOSA-N 440.500 4.327 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](Nc1ccc(OCCO)cc1)c1ccccc1 732229054 UXQSYDGURDQFQB-NRFANRHFSA-N 441.871 4.411 5 20 IIBD CN(CCc1ccc(Cl)cc1)C(=O)c1ccc(I)c([N+](=O)[O-])c1 733233134 LOQDQOMXQNHUPD-UHFFFAOYSA-N 444.656 4.168 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1[N+](=O)[O-] 735268022 UYXDVUOHHWVCCW-UHFFFAOYSA-N 445.409 4.105 5 20 IIBD COc1ccc2cc(/C=C\C(=O)OCCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)ccc2c1 735339527 HYDYIIIPKWARGD-WMZJFQQLSA-N 448.431 4.311 5 20 IIBD Cc1ccc(C(=O)N2CCC[C@H](C(=O)OCc3cnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)cc1 735442726 GYYBBIOTGMMENT-IBGZPJMESA-N 449.463 4.154 5 20 IIBD COc1cccc(C[C@@]2(C(=O)OCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]3CC[C@H]2C3)c1 735563139 GGCNTMSAQIOCLH-LLJLJFOGSA-N 438.480 4.134 5 20 IIBD Cc1csc(-c2cccc(C(=O)OCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c2)n1 740407316 LZXXIVCWABNTKL-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD C[C@@H]1C[C@@H]1[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(Cl)cc1 741998322 JXZMJEDUKOBXOM-YMTYPPQLSA-N 429.904 4.212 5 20 IIBD C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 742308542 JLWCBIYCWATCBW-XJKCOSOUSA-N 439.331 4.313 5 20 IIBD Cc1csc(COC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)n1 744313802 WJVMQQYOXPHFLO-UHFFFAOYSA-N 425.466 4.014 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2cc(NC(=O)C(C)C)ccc2Cl)cccc1[N+](=O)[O-] 745187438 ZPGUFHFFTKSPDT-ZDUSSCGKSA-N 447.875 4.335 5 20 IIBD O=C(COC(=O)c1cc(Oc2ccccc2)ccn1)Nc1ccc([N+](=O)[O-])cc1Cl 745762210 RFHWJFSVPBYJRC-UHFFFAOYSA-N 427.800 4.231 5 20 IIBD C[C@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N[C@@H](C)c1ccc(F)cc1 747960922 ACBHDVLRLBGHNQ-STQMWFEESA-N 443.456 4.280 5 20 IIBD O=C(CCc1nc(-c2ccccn2)no1)Oc1ccc(Cc2ccccc2)cc1[N+](=O)[O-] 749062544 PEYFQHUVEVNZPC-UHFFFAOYSA-N 430.420 4.169 5 20 IIBD O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cc(Br)cc([N+](=O)[O-])c1Cl 750829726 SATZDYHJNASKOK-CQSZACIVSA-N 438.709 4.015 5 20 IIBD CCOC(=O)c1ccc(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cc1 750853050 CRRPEWAEFNJADO-UHFFFAOYSA-N 441.665 4.117 5 20 IIBD O=C(CCc1cc(F)ccc1Br)OCc1cc([N+](=O)[O-])cc2c1OCOC2 752096023 ZYNQRMASSDMSNV-UHFFFAOYSA-N 440.221 4.039 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)cc1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 753909206 UQCTXQURUBIFQP-UHFFFAOYSA-N 426.473 4.251 5 20 IIBD O=C(N[C@H](c1ccccc1)c1nccs1)c1cc(F)cc([N+](=O)[O-])c1Br 754998204 PHQLVQSUZFGSGJ-OAHLLOKOSA-N 436.262 4.472 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)OCCCC(=O)c1ccc(Br)cc1 759505960 WLIAFQAVEIDDCC-UHFFFAOYSA-N 440.221 4.082 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl 759773316 OSRIPQRYZUVZKQ-INIZCTEOSA-N 433.940 4.493 5 20 IIBD CCCn1nc(C)c(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1C 760001950 MGOJQRXEMZCKSQ-LBPRGKRZSA-N 442.394 4.021 5 20 IIBD CCC[C@H](NC(=O)c1ccccc1)c1noc([C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 762306891 FWQCOYMMLYMGEF-QFBILLFUSA-N 435.440 4.115 5 20 IIBD C[C@@H](OC(=O)COc1ccccc1Br)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 763862823 WCGSYMLWHOKGFX-LLVKDONJSA-N 448.229 4.091 5 20 IIBD CN(C)CC1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)cc2)CC1 765807822 MWGQSEFQTKIPDJ-UHFFFAOYSA-N 433.512 4.173 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)Nc1ccc(C(F)(F)F)cc1 766230289 HMXBUVWFZWSFKO-NSHDSACASA-N 433.342 4.346 5 20 IIBD CCOc1ccc2ccccc2c1OC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 766895667 SRLRYECFBYUFLW-UHFFFAOYSA-N 434.404 4.019 5 20 IIBD CCn1c(S)nnc1CNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 767956109 LOFIUTZUBAANLX-UHFFFAOYSA-N 449.945 4.230 5 20 IIBD CN(C[C@@H]1CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1)C(=O)OC(C)(C)C 768915547 OMDHVKNRTFKOBV-KRWDZBQOSA-N 443.548 4.074 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(Br)c(Cl)c1F 769525078 GKXVUSDJMKNJPT-UHFFFAOYSA-N 446.612 4.373 5 20 IIBD CC[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H](O)c1c(F)cccc1F 771700895 FPBZBAVZELDLJH-CRAIPNDOSA-N 433.436 4.239 5 20 IIBD Cc1cc(N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 778599740 YXPFSPOTTBNFAF-NVXWUHKLSA-N 427.505 4.100 5 20 IIBD O=C(O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)c1csc(-c2ccccc2F)n1 778804228 VIASGOSDOZYZBE-ZDUSSCGKSA-N 431.420 4.432 5 20 IIBD CC(C)[C@@H](NC(=O)COC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccccc1 781267395 GWOPEPOIGHZJFT-XMMPIXPASA-N 428.488 4.352 5 20 IIBD COC(=O)[C@H]1[C@H](O)CCCN1C(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34 781448238 JVYYFFPFBUFEFZ-ATIYNZHBSA-N 443.499 4.072 5 20 IIBD O=C(CCN1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1)Nc1cc([N+](=O)[O-])ccc1F 782512811 XCEPANVQXIXLDG-AUSIDOKSSA-N 440.519 4.049 5 20 IIBD CC[C@H](C)[C@@H](C)N(C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br)C1CC1 784560592 MZRRSCSWHONFKV-CMPLNLGQSA-N 426.311 4.030 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)OCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1F 787941501 ZYDOCRXWKUGQAG-UHFFFAOYSA-N 436.395 4.334 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCN(c2cncc3ccccc23)CC1 787985874 LIPGGLPMOBOAMH-UHFFFAOYSA-N 445.523 4.096 5 20 IIBD COC[C@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 790745137 DBXAVLZGJHJXOC-HNNXBMFYSA-N 434.773 4.453 5 20 IIBD O=C(c1cnc(Cl)c(Cl)c1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791175227 XNEADSCYUVNXPL-UHFFFAOYSA-N 431.073 4.258 5 20 IIBD O=C(OC[C@@H]1CC2(CCC2)C(=O)O1)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 791266780 HVAIWZGYVGZVCE-AWEZNQCLSA-N 443.839 4.122 5 20 IIBD Cc1nn(CN2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)c2ncc([N+](=O)[O-])cc12 793587689 IRCNFAWJGZUEDA-KZULUSFZSA-N 435.406 4.086 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1NC(=O)N(C)C 794411885 FYROLKGXIJIAQZ-UHFFFAOYSA-N 425.489 4.239 5 20 IIBD CC(C)(C)Nc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 799125865 NQNKPQFJPWULMR-UHFFFAOYSA-N 428.308 4.369 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2cc(F)c(C(F)(F)F)cc2F)c([N+](=O)[O-])c1 805596404 NYMWISFCVAKQFH-UHFFFAOYSA-N 448.300 4.086 5 20 IIBD Cc1ccc(-c2noc(Cc3noc(-c4cc([N+](=O)[O-])ccc4N4CCCC4)n3)n2)cc1 809253225 PJTCDQOABVHGHF-UHFFFAOYSA-N 432.440 4.194 5 20 IIBD O=C(Cc1ccnc(O)c1Br)OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811197521 SFRLSXZYOSCENL-UHFFFAOYSA-N 436.045 4.051 5 20 IIBD O=C(NCc1ccc2sccc2c1)c1cc([N+](=O)[O-])ccc1I 811589463 UXRXXWWPCGKZDJ-UHFFFAOYSA-N 438.246 4.344 5 20 IIBD COCCn1c(-c2c[nH]c3ccccc23)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 812064277 PGWDNXLKMVMCGD-UHFFFAOYSA-N 432.484 4.150 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)OC[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)c1 813159593 OPZRXCIQKMBJHD-GFCCVEGCSA-N 446.472 4.366 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 813243874 CTUYKIQULHQLOA-AWEZNQCLSA-N 448.932 4.139 5 20 IIBD Cc1cc(Cl)c(C(=O)O[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1[N+](=O)[O-] 815407538 YDENUKAOGDIPCW-SFHVURJKSA-N 438.814 4.183 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Oc1ccccc1C(=O)N1CCCCC1 835968307 FCTDFCHKDRJHEI-UHFFFAOYSA-N 440.499 4.386 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc(C2CC2)nc2onc(C(C)C)c12 915576697 KIXGAMIDPSBIGO-UHFFFAOYSA-N 438.440 4.236 5 20 IIBD O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 916408730 WURKCCHIMGNTGD-UHFFFAOYSA-N 442.686 4.153 5 20 IIBD Cc1sc2ncnc(N3CCC(C(=O)Oc4cccc([N+](=O)[O-])c4C)CC3)c2c1C 917049940 GHBVUVCXNGWMOY-UHFFFAOYSA-N 426.498 4.347 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc(-c2cccc(Br)c2)s1 1116041905 AQTFCMOIPACNIU-UHFFFAOYSA-N 434.275 4.170 5 20 IIBD CCc1cc(N2CCC(O)(Cc3ccccc3F)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 1320914129 VOHLACIOLAUBES-UHFFFAOYSA-N 436.487 4.327 5 20 IIBD CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1N)c1cccc(OC(F)(F)F)c1 1321293413 GCUBBFZGORVANM-UHFFFAOYSA-N 434.168 4.115 5 20 IIBD CC(=O)Nc1ccc(C2(NC(=O)c3cc(Br)ccc3[N+](=O)[O-])CCC2)cc1 1787816898 OKZFWZRNXDCJPK-UHFFFAOYSA-N 432.274 4.125 5 20 IIBD Cc1ccc(C)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2ccc(C)c([N+](=O)[O-])c2)c1 1800140627 CQPSWPZYPYURFL-WKCHPHFGSA-N 435.524 4.015 5 20 IIBD O=C(CC1CCC1)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1824842772 VWESRNCSRLZQTF-QHCPKHFHSA-N 441.572 4.337 5 20 IIBD CCOC(=O)c1cc(C(=O)OCc2csc(-c3ccccc3OC)n2)cc([N+](=O)[O-])c1 10858149 LSPFDJRWJFDXHR-UHFFFAOYSA-N 442.449 4.261 5 20 IIBD Cc1nn(Cc2ccc(C(=O)OCC(=O)c3cccc(Cl)c3)cc2)c(C)c1[N+](=O)[O-] 17158201 QOCIJLVWWBEWNN-UHFFFAOYSA-N 427.844 4.150 5 20 IIBD CCNc1ccc(C(=O)OCC(=O)N[C@H](c2ccccc2)c2cccs2)cc1[N+](=O)[O-] 18171591 YGBOYVVWHIUGIT-OAQYLSRUSA-N 439.493 4.151 5 20 IIBD O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)Nc1ccc([N+](=O)[O-])cc1Cl 20857048 GLLNGHRFGBWXJO-UHFFFAOYSA-N 429.889 4.437 5 20 IIBD CSc1ccc(C(=O)O[C@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)cc1[N+](=O)[O-] 22162556 KNEYGDJMXPGOHI-LLVKDONJSA-N 440.880 4.313 5 20 IIBD COc1cc(/C=C2\C(=O)N(c3ccccc3C)C(=O)c3ccccc32)cc([N+](=O)[O-])c1O 23724632 OPRSFNGIUIWOEP-WQRHYEAKSA-N 430.416 4.345 5 20 IIBD CC(C)n1ncc2cc(C(=O)Oc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)cnc21 25983084 WMDSHYXXNFSDJH-UHFFFAOYSA-N 445.435 4.392 5 20 IIBD COc1cc(C(=O)N2CCc3[nH]c4ccc(C)cc4c3C2)c([N+](=O)[O-])cc1OC(F)F 29210878 AFNQZQHDFVXFRF-UHFFFAOYSA-N 431.395 4.193 5 20 IIBD Cc1nc(-c2ccc([C@H](C)NC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)cc2)cs1 30891371 POOWINMYZPAZOA-LBPRGKRZSA-N 425.466 4.289 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCN(c2ccc(Cl)cc2)CC1 64917078 JJYNURRQFVNUIK-UHFFFAOYSA-N 428.901 4.334 5 20 IIBD O=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 72029905 DBGUGXPMWZTWGH-UHFFFAOYSA-N 448.957 4.325 5 20 IIBD COc1ccc(N2C[C@H](C(=O)N(CC3CC3)c3ccc(Cl)c([N+](=O)[O-])c3)CC2=O)cc1 72046914 DLBNIPRXTNZQEX-OAHLLOKOSA-N 443.887 4.053 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H]2c2nc3ccccc3s2)c([N+](=O)[O-])c1 96966221 WQULONDSZNLEPK-CXAGYDPISA-N 426.498 4.377 5 20 IIBD NC(=O)c1cccc(CCNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)c1 237755273 ZYGZEGKJQSYKLY-UHFFFAOYSA-N 425.872 4.472 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(NC[C@@H]2CCCO[C@H]2c2ccccc2)c([N+](=O)[O-])c1 303038723 SIJVUUCCKXOZIY-AVRDEDQJSA-N 447.557 4.205 5 20 IIBD CCOc1cc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c([N+](=O)[O-])cc1OC 303750465 LMZGXSSXJOBYGE-MJGOQNOKSA-N 441.528 4.127 5 20 IIBD CCOc1ccc([C@@H](C)NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)cc1OCC 427902422 NWYYVNFGSMISGG-OAHLLOKOSA-N 439.468 4.197 5 20 IIBD O=C(Nc1ccc(NC[C@H]2CCCO2)c(F)c1)c1cc(Br)cc([N+](=O)[O-])c1 433140510 HSTHOXKXMOSZBY-OAHLLOKOSA-N 438.253 4.340 5 20 IIBD COc1ccccc1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435529100 QMKUMVHMNFXCHC-UHFFFAOYSA-N 443.506 4.071 5 20 IIBD COc1cccc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-] 435531098 JJRWHFMDNCHUQH-HNNXBMFYSA-N 438.267 4.154 5 20 IIBD CC(C)NC(=O)c1ccc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc1 436068280 VTGZWFYKBIVTNL-UHFFFAOYSA-N 435.430 4.350 5 20 IIBD O=C1Nc2ccccc2[C@H]1C1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 437136835 MPXYFXSPONHLIN-GOSISDBHSA-N 433.386 4.202 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N(C)CC2(N(C)C)CCC2)cc1[N+](=O)[O-] 438620519 HGOPORPLSXCUDB-UHFFFAOYSA-N 441.553 4.104 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N2CCC[C@H]2c2cccc(F)c2)cc1[N+](=O)[O-] 439247794 OTJFANGGYIFWJR-INIZCTEOSA-N 443.294 4.331 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@@H](OC1CCOCC1)c1ccccc1 439883438 UERVUVMXHSRDNB-KSFYIVLOSA-N 443.500 4.440 5 20 IIBD O=C(NC1(c2noc([C@H]3CCOC3)n2)CCCCCC1)c1cc(Cl)cc([N+](=O)[O-])c1 439936886 AYVPEWBYGIRUKP-ZDUSSCGKSA-N 434.880 4.115 5 20 IIBD CC(C)n1ncc2c(C(=O)Nc3ccc4cc([N+](=O)[O-])ccc4n3)cc(-c3ccco3)nc21 440622526 TUUNOAJMMAWVIW-UHFFFAOYSA-N 442.435 4.981 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H](C)c1ccc(-c2ccccc2)cc1 442527945 OYQIDYXNNQZMGB-INIZCTEOSA-N 433.464 4.429 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NC[C@@H]2CCCn3cc(C)nc32)c([N+](=O)[O-])c1 443889647 RBPWJJMTULTYAG-KRWDZBQOSA-N 448.479 4.107 5 20 IIBD Cc1c(-c2nc(CC(=O)NCc3ccc([N+](=O)[O-])cc3)no2)oc2c(Cl)cccc12 445697999 WHFFPNXPYVPTMF-UHFFFAOYSA-N 426.816 4.212 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1 445854506 VGQTZTDRWOUEOB-UHFFFAOYSA-N 449.485 4.168 5 20 IIBD Cc1c(C)n(C[C@@H]2CCCO2)c2ncnc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c12 445952707 LETANTXZPMWZQT-INIZCTEOSA-N 435.440 4.134 5 20 IIBD CC(C)n1c(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)nc2ccccc21 446312721 OTMJRQDELJGDKA-UHFFFAOYSA-N 431.290 4.147 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1nnc3c(Cl)cc(C(F)(F)F)cn13)CCC2 447544596 UZMZOHCFRZJRJO-HNNXBMFYSA-N 425.798 4.477 5 20 IIBD O=[N+]([O-])c1ccc(CN(c2nnc([C@H]3CCCO3)n2Cc2cccs2)C2CC2)cc1 461484015 VNNBPTZHMOJUBM-LJQANCHMSA-N 425.514 4.317 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)NCc2ccccc2COc2ccccc2Cl)cc1 462324487 KMAQLOUGSNBQID-UHFFFAOYSA-N 446.912 4.447 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC(=O)Nc1cc(C)c(Cl)cc1OC 462641306 NZCLCPKSVBSYTB-MRXNPFEDSA-N 447.919 4.279 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 462753877 JPZOWDZNDKVWLH-AUSIDOKSSA-N 425.529 4.125 5 20 IIBD NC(=O)[C@@H](NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])c1ccccc1 464565545 BZYJFEHWVNHVHM-SFHVURJKSA-N 441.896 4.356 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCOC[C@H]1c1ccccc1 464717141 ZKRPSADYHBKSJM-INIZCTEOSA-N 426.416 4.306 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2cccc(F)c2)C2CCCC2)cc1OC 465521048 IKBWKIUFEIVHGD-JOCHJYFZSA-N 446.475 4.429 5 20 IIBD Cc1ccc(CN(Cc2cccs2)C(=O)c2cc([N+](=O)[O-])nn2C)c(Br)c1 466745947 YZNIOJHUBWCHRA-UHFFFAOYSA-N 449.330 4.303 5 20 IIBD C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N(C)Cc1cc(Cl)cn1C 466963029 ZAOASZKQPNNYLK-LBPRGKRZSA-N 433.921 4.169 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCO[C@H](c2cccc(Cl)c2)C1 468825718 CSLTYUUKRFKLLG-INIZCTEOSA-N 425.666 4.224 5 20 IIBD CCC(=O)c1ccc(Cl)c(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 471436303 KOEAMCDALCWMIX-LJQANCHMSA-N 443.887 4.393 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCCc3cn(C)c4cc(F)ccc34)cc2)c(C)c1[N+](=O)[O-] 471672588 WPMHIUBOVVANLB-UHFFFAOYSA-N 449.486 4.060 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cc(-c2cccc(F)c2F)[nH]n1 473665807 WJLNTFFYODTFRX-UHFFFAOYSA-N 430.414 4.462 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCc2nc3c(s2)CCCC3)cc1[N+](=O)[O-])c1ccccn1 473920984 TYGGUAVFTLFTGN-CQSZACIVSA-N 437.525 4.428 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCO[C@H](c2ccc(F)cc2Cl)C1 475865106 TYXJDMZQOTVWDS-INIZCTEOSA-N 430.766 4.202 5 20 IIBD CCC(=O)[C@@H]1CCCCN1C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 477634393 JGYORNRKBLQDIR-HNNXBMFYSA-N 425.272 4.061 5 20 IIBD CCO[C@@H](C)c1nc(COc2ccc(I)cc2[N+](=O)[O-])cs1 478892555 NJNRGMWSLWMTJI-VIFPVBQESA-N 434.255 4.332 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 479623159 UNHMOVMKAXJGMB-HXUWFJFHSA-N 438.528 4.347 5 20 IIBD C[C@@H](CC[S@@](C)=O)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 479899233 IKFRTTXIVCDPAS-BIXPNRAVSA-N 426.947 4.286 5 20 IIBD COc1ccc(F)c(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)CC2)c1 481118188 WOCAYJZSCHSYIB-UHFFFAOYSA-N 433.505 4.205 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1 481986341 ZCWYLSFGQGBLSF-MRXNPFEDSA-N 431.514 4.027 5 20 IIBD O=C(NC[C@@H]1CCCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1)c1ccccc1 484821652 OOLXZAYEKOMWKG-IBGZPJMESA-N 443.503 4.472 5 20 IIBD COC(=O)[C@H](C)N(C(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(Br)cc1C 484831991 VGTVLSQRFHZODU-ZDUSSCGKSA-N 435.274 4.182 5 20 IIBD O=C(NCc1cccc(COCC(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1OC(F)F 485475082 MZQKWEWUJKZTOK-UHFFFAOYSA-N 434.317 4.205 5 20 IIBD O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 486099705 YRMRZYCTHUMZBZ-UHFFFAOYSA-N 426.860 4.422 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccc(C(C)(C)C(=O)O)cc3)cc2)c(C)c1[N+](=O)[O-] 486283976 NITDDFKYCSPJHJ-UHFFFAOYSA-N 436.468 4.071 5 20 IIBD COc1ccc(-c2cc(C(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)sc2C)cc1 487074478 RBQXHFMXVCMZGT-UHFFFAOYSA-N 426.498 4.314 5 20 IIBD COC(=O)c1cc(NC(=O)C2(c3ccc(OC)c(OC)c3)CCCC2)c(C)c([N+](=O)[O-])c1 489747083 QRUFDKIGKUCKDA-UHFFFAOYSA-N 442.468 4.158 5 20 IIBD O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 492976126 JPNFPIXZNBTJMY-UHFFFAOYSA-N 426.860 4.422 5 20 IIBD CN1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3Cl)CC[C@@H]21 493946689 IRUIQIXERHIOOZ-VGSWGCGISA-N 442.947 4.417 5 20 IIBD COc1cccc(C2CCN(C(=O)CSCc3ccc(OC)c([N+](=O)[O-])c3)CC2)c1 498461655 GMAAHSCVYQYQEX-UHFFFAOYSA-N 430.526 4.251 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 501039908 XUMJJGAZHADOMZ-LJQANCHMSA-N 434.899 4.366 5 20 IIBD CN(C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)[C@@H](CCO)c1ccccc1 503601211 LJJPKAURZVLOGG-SFHVURJKSA-N 449.294 4.283 5 20 IIBD CCOc1cc(CN(C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OC(F)F 506163802 UHSXFQUKVVBOLZ-CQSZACIVSA-N 437.443 4.362 5 20 IIBD CS(=O)(=O)c1cccc([C@@H](NCc2c(F)cc([N+](=O)[O-])cc2F)c2ccccc2)c1 506292893 CRXBYVRHZMQNSB-NRFANRHFSA-N 432.448 4.156 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1ccc(Oc2ccccc2)cc1 506329952 SOXTZGBDYIMFKH-SJORKVTESA-N 433.464 4.383 5 20 IIBD COc1ccc(OC)c([C@@H]2CCCN2C(=O)COc2cc(C)c([N+](=O)[O-])cc2Cl)c1 506430725 CJEVNOXMXXIMBW-KRWDZBQOSA-N 434.876 4.316 5 20 IIBD C[C@@H](C1CC1)N(C(=O)COc1c([N+](=O)[O-])cnc2ccc(Br)cc12)C1CC1 508158716 BNAPVETYULSKOO-NSHDSACASA-N 434.290 4.074 5 20 IIBD COc1ccc(-c2ccc(CN3CCC(C(=O)N4CCC[C@H](C)C4)CC3)o2)c([N+](=O)[O-])c1 509533168 PFIWTKHMWWAQED-KRWDZBQOSA-N 441.528 4.334 5 20 IIBD CCOC(=O)C(C)(C)C1CCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC1 510159645 OBGRXWMRKYPREJ-UHFFFAOYSA-N 430.448 4.006 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 510457931 IEOBRKRIZXTTLZ-IRXDYDNUSA-N 428.432 4.369 5 20 IIBD COc1ccc(C(=O)NCC(=O)N[C@H](C)c2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-] 513349059 QYQWTYWRNLGHLS-MRXNPFEDSA-N 449.463 4.003 5 20 IIBD CCn1c(SCC(=O)N2CCCc3c2cccc3[N+](=O)[O-])nnc1-c1cccc(C)c1 513838792 XTIGRPROKVAJMG-UHFFFAOYSA-N 437.525 4.253 5 20 IIBD Cn1ccnc1[C@@H](NCc1ccnc(OCc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 514089048 NPHZRBPXYUDMEO-QHCPKHFHSA-N 429.480 4.182 5 20 IIBD Cc1cc(C)n(Cc2cccc(-c3noc(-c4ccn(-c5ccc([N+](=O)[O-])cc5)n4)n3)c2)n1 517629734 OITSODMOCVIWDQ-UHFFFAOYSA-N 441.451 4.359 5 20 IIBD Cc1nc(-c2ccc(CNC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)s2)cs1 520021600 ZTXUZJOTPSLVLQ-UHFFFAOYSA-N 425.495 4.204 5 20 IIBD COc1cc(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2C)c([N+](=O)[O-])cc1OC 520652957 BRRRQCFWHKQYHA-OAHLLOKOSA-N 441.484 4.187 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)n2)cc1OC 521075672 IOFCOWZVYNNLPJ-UHFFFAOYSA-N 435.436 4.251 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@H](COc1ccccc1)c1ccccc1 521705347 RBMHKSHTMHUFFI-HXUWFJFHSA-N 439.855 4.123 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCCCC[C@@H]2c2ccc(C)o2)cc1OC 523121751 SYVJTKAYHCRLML-QGZVFWFLSA-N 432.473 4.288 5 20 IIBD CCN(CC)C(=O)Cc1ccc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1 523881620 JWZUXMHKKBRTNR-UHFFFAOYSA-N 433.892 4.067 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCn2cccc2[C@H]1c1ccccc1 523977639 AFAGYTQVDVVIMZ-JOCHJYFZSA-N 425.872 4.450 5 20 IIBD CC(=O)N(Cc1ccc(Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])cc1)C(C)C 524196373 KIIXUJJKJNDTQJ-UHFFFAOYSA-N 435.484 4.060 5 20 IIBD Cc1ccc(NC(=O)c2cc3ccccc3c3cccnc23)cc1N1CCCS1(=O)=O 524843948 BBDIDTSWGAZVAY-UHFFFAOYSA-N 431.517 4.489 5 20 IIBD Cc1ccc(NCCCNC(=O)N2CCC[C@@H](CN3CCCC[C@@H]3C)C2)c([N+](=O)[O-])c1 525321426 DVSJXUZSCIDANV-PMACEKPBSA-N 431.581 4.001 5 20 IIBD CCN(C(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)[C@@H](C)c1cccc(C(F)(F)F)c1 525901636 RVKITCDHAZIWEE-LBPRGKRZSA-N 439.390 4.170 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@@H]2c2ccc(Br)cc2)cc1 531206075 HKJRFLFUOOXJIB-QGZVFWFLSA-N 425.304 4.024 5 20 IIBD COC(=O)[C@@H](c1ccccc1)N(C)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 531595498 UTXBBVKUHSNQJI-JOCHJYFZSA-N 433.464 4.193 5 20 IIBD C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 531717627 REOUCWKXTDZSKG-DLBZAZTESA-N 447.495 4.310 5 20 IIBD COc1cccc(C(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c2cccc(OC)c2)c1 532039043 MHAOCTVGJDHZMW-UHFFFAOYSA-N 447.491 4.469 5 20 IIBD C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 533522944 CFJKWUNLAZQIPL-INIZCTEOSA-N 439.491 4.026 5 20 IIBD COc1ccc(-c2ccc(CN3CCn4c(Cc5ccccc5)nnc4C3)o2)c([N+](=O)[O-])c1 536662967 NEVRFEFLKMPDMB-UHFFFAOYSA-N 445.479 4.062 5 20 IIBD COCCOc1c(Cl)cc(NC(=O)CCOc2ccccc2[N+](=O)[O-])cc1Cl 538042474 ULVHQGMPKSGMKM-UHFFFAOYSA-N 429.256 4.334 5 20 IIBD NS(=O)(=O)c1cc(N[C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc([N+](=O)[O-])c1 539610814 CSHJUERKOSADSC-IAGOWNOFSA-N 429.420 4.009 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC=C(c2ccc3c(c2)OCCO3)CC1 539966300 RJHJGGWRSIOTEX-UHFFFAOYSA-N 434.370 4.314 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-n2nnnc2C)ccc1F 540713096 LRQGEYARTHMTQB-UHFFFAOYSA-N 430.465 4.163 5 20 IIBD O=C(Nc1ccc(CNc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1N1CCOCC1 540885873 JCSKVOUYZAVGIG-UHFFFAOYSA-N 432.480 4.296 5 20 IIBD C[C@H](C(=O)NC1CCN(c2nc3ccccc3s2)CC1)c1ccc([N+](=O)[O-])cc1F 542593829 RUTSBBRMMOJODT-ZDUSSCGKSA-N 428.489 4.232 5 20 IIBD COc1cc(Cc2noc(-c3cccc(-n4nccc4C(F)(F)F)c3)n2)ccc1[N+](=O)[O-] 545777983 VBQLRDNYGXIAGE-UHFFFAOYSA-N 445.357 4.449 5 20 IIBD O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2nc(-c3ccccc3Cl)cs2)CC1 549293902 QNLCBRXSOKAZFO-UHFFFAOYSA-N 428.901 4.334 5 20 IIBD COc1c(NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc(Cl)cc1C(=O)N(C)C 551372798 HWUNADGDXUBYFI-UHFFFAOYSA-N 430.848 4.226 5 20 IIBD O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N[C@H]1CCCC[C@H]1c1ccccc1 551720412 ADVBIRZPBUEYOT-ROUUACIJSA-N 446.301 4.138 5 20 IIBD CC(C)[C@@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Cl)cc1 553225300 MYOXVTJGXWFFMP-IAGOWNOFSA-N 449.960 4.470 5 20 IIBD CCc1nc(CN(c2ccc([C@@H](C)CC)cc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)no1 553702851 HNBJMSHSGYVGEP-HNNXBMFYSA-N 444.513 4.449 5 20 IIBD CC(C)[C@@H](NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(Cl)cc1 555886701 VYDSQWASEHMFSE-HXUWFJFHSA-N 429.904 4.253 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC(OCC4CC4)CC3)n2Cc2cccs2)c1 559163168 MOOAFRBTUWDFGY-UHFFFAOYSA-N 439.541 4.359 5 20 IIBD COCCCOc1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1OC 560737716 IWTAVZZEGXEPCM-UHFFFAOYSA-N 445.291 4.095 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F)c1cccc([N+](=O)[O-])c1 564290808 LNJQVCGDPIPPDV-SNVBAGLBSA-N 443.859 4.421 5 20 IIBD COc1cc(CN2CC[C@H](N3CCCC3)[C@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 564312249 AUWIVACGELAKCI-GCJKJVERSA-N 425.529 4.241 5 20 IIBD CNC(=O)Nc1cc(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)ccc1F 566577159 ARCAZIJMVHYFTE-OKILXGFUSA-N 443.479 4.220 5 20 IIBD O=C1COc2c(NCc3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)cccc2N1 570130240 LIWUFNLBYPQEGR-UHFFFAOYSA-N 441.447 4.391 5 20 IIBD O=C(Nc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)cc1)C1CC1 574447640 XTMFESHUIDSDQR-UHFFFAOYSA-N 443.257 4.347 5 20 IIBD CSCC[C@H](NCc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1)C(=O)N(C)C 574815934 CHWYLXKLUBTCML-SFHVURJKSA-N 433.599 4.354 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3nc(-c4cn(Cc5ccccc5)nn4)no3)cs2)cc1 580416765 DPTLFUOVYWIVHU-UHFFFAOYSA-N 431.437 4.075 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1Cc1c(F)cc([N+](=O)[O-])cc1F 586769058 SDPLIPNJNJKUET-OAQYLSRUSA-N 428.439 4.249 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)N1CCC2(CCC2)CC1 588022990 FLXVGHFQEKJVPU-UHFFFAOYSA-N 443.525 4.110 5 20 IIBD COC(=O)c1cnc(O)c(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c1 603769208 SMNCLVOYUIWJHZ-UHFFFAOYSA-N 443.799 4.180 5 20 IIBD O=c1c(Cl)c(NCc2cccc(CN3CCCC3)c2)cnn1-c1ccc([N+](=O)[O-])cc1 608830607 KHHBLXWHJXLBIE-UHFFFAOYSA-N 439.903 4.002 5 20 IIBD COc1ccc(CNCc2c(C)cc(C)nc2OC)cc1OCc1ccc([N+](=O)[O-])cc1 608983000 SQHILUVOJTZISA-UHFFFAOYSA-N 437.496 4.493 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1 609555895 VLKQKKCALFNEPY-UHFFFAOYSA-N 439.493 4.233 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CN[C@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)cs2)c1 609707713 UUQOCVQJGGFWMN-QZTJIDSGSA-N 437.443 4.342 5 20 IIBD CCCOc1cc(NC(=O)C(=O)NC2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])cc1OCCC 610104872 AJCROECLPWJRKC-GJZGRUSLSA-N 435.521 4.052 5 20 IIBD CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1ccccc1 610243286 UINJXUXEZXAZLB-QHCPKHFHSA-N 442.475 4.080 5 20 IIBD CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 610968924 VLHHJZDPBDTDIH-JOCHJYFZSA-N 438.524 4.421 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCC[C@H](C[C@H]3CCOC3)C2)cc1[N+](=O)[O-])c1ccccn1 611355791 JFTBIPQNCWWELJ-IPMKNSEASA-N 438.528 4.442 5 20 IIBD COc1cc(CCNC(=O)N(C)Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OC 616169539 HTHQMRDQSBAMOF-UHFFFAOYSA-N 442.299 4.303 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 619467861 JVSXFZJVDWPGOH-UHFFFAOYSA-N 439.449 4.136 5 20 IIBD CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 725746914 JBUAHBPHRBLMIS-INIZCTEOSA-N 446.529 4.190 5 20 IIBD CCn1c([C@H]2CCCN2S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])nc2ccccc21 725838020 FJEKEVBKZGOJOC-QGZVFWFLSA-N 434.905 4.144 5 20 IIBD C[C@H](Nc1ccc(C(=O)OCc2cnc3ccccc3n2)cc1[N+](=O)[O-])c1ccccn1 726341823 MNDKEISZTDIDJG-HNNXBMFYSA-N 429.436 4.463 5 20 IIBD COc1ccc(NC(=S)/C(=C(/O)c2cccc([N+](=O)[O-])c2)[n+]2ccccc2)cc1F 726576212 NXLGXDVEORNHLS-UHFFFAOYSA-O 426.449 4.353 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccccc1-c1nc(C(C)(C)C)no1 726841539 RIVKTFDVHMIMSB-UHFFFAOYSA-N 438.440 4.046 5 20 IIBD NC(=O)c1ccc(COC(=O)c2ccc(Oc3ccc(Cl)cc3)c(N)c2)c([N+](=O)[O-])c1 727530195 VMXBTQPUVCDXJZ-UHFFFAOYSA-N 441.827 4.079 5 20 IIBD CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)c1 727711111 AKPDSHGSOVMPHB-UHFFFAOYSA-N 446.312 4.183 5 20 IIBD COc1ccc(CC(=O)O[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] 727885238 ANVKRRHXYNFUPQ-JTQLQIEISA-N 427.240 4.023 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])c1C 727950593 DZUHGBVVRSLTBA-ZIAGYGMSSA-N 443.308 4.127 5 20 IIBD CC(C)C[C@H](C)Oc1cc(CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])ccn1 732048640 BTWGBONTRUVIML-ZDUSSCGKSA-N 443.472 4.412 5 20 IIBD CC(C)(C)OC(=O)NC[C@](C)(NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 732105908 ULRVJGSKIUXJOE-NRFANRHFSA-N 446.529 4.142 5 20 IIBD COc1ccc(C2=N/C(=C/c3c(-c4ccccc4)nn(C)c3Cl)C(=O)O2)cc1[N+](=O)[O-] 734768994 XRVTUQYYBZFPNS-RVDMUPIBSA-N 438.827 4.002 5 20 IIBD CCNC(=O)c1ccc(OC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 734777867 YHHXDCZANNJPLB-UHFFFAOYSA-N 428.388 4.061 5 20 IIBD O=C(CNc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)Nc1ccccc1C(=O)NC1CC1 735306993 FARXDUGBEJXOFQ-UHFFFAOYSA-N 446.463 4.330 5 20 IIBD C[C@@H](OC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)C(=O)Nc1ccc(C(F)(F)F)cc1 735353006 SDGLZKSGDPULAC-SNVBAGLBSA-N 449.341 4.051 5 20 IIBD Cc1cccc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1NC(=O)c1ccncc1 739743625 BKPAGSGJQPIKND-UHFFFAOYSA-N 432.480 4.303 5 20 IIBD C[C@@H]1C[C@@H]1[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccc(Cl)cc1 741998160 IGFMBBXUKYAQBC-ZLJKNVRHSA-N 445.878 4.254 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 743266898 GWUSUJXCXOJLIU-AWEZNQCLSA-N 435.502 4.290 5 20 IIBD CCN(CC)c1ccc(N(Cc2cccs2)C(=O)Cn2cc([N+](=O)[O-])nc2C)cc1 743624150 MFKWZJILZZYWPG-UHFFFAOYSA-N 427.530 4.241 5 20 IIBD CCCN(Cc1ccc(F)cc1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 746180732 ACXZALBXOFHHJJ-UHFFFAOYSA-N 431.283 4.097 5 20 IIBD CCCOC(=O)c1cc(-c2cncnc2)ccc1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 749168247 DLFMWPFRIAFIQA-YHYXMXQVSA-N 432.436 4.271 5 20 IIBD C[C@H](OC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1nc2ccc(Cl)cc2n1C 750216301 PNBQFKBABYFPFL-LBPRGKRZSA-N 425.832 4.239 5 20 IIBD O=C(CSCc1ccc(Cl)cc1)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 750434770 YPHKLDSLZSTPKB-UHFFFAOYSA-N 435.933 4.336 5 20 IIBD O=C(Nc1cc(N2CCCC2=O)ccc1Cl)c1cc([N+](=O)[O-])ccc1Br 751083059 QXGBNERXXGHQER-UHFFFAOYSA-N 438.665 4.390 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nc(-c2ccc(Cl)cc2)n1 751856088 NZOBZOBBJLSLMB-ZDUSSCGKSA-N 440.843 4.198 5 20 IIBD C[C@@H](OC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1Cl 752523760 GIDCYURLSXGWQJ-LLVKDONJSA-N 426.256 4.005 5 20 IIBD Cn1cc(C(C)(C)N[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)cn1 754867762 PDRAMXHVNSHQFE-IBGZPJMESA-N 427.892 4.186 5 20 IIBD O=C(Nc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1)NC1CC1 754977531 OJHQPELIDVBZNJ-UHFFFAOYSA-N 437.225 4.033 5 20 IIBD C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F 754987816 ZEINIXRXXILKSW-SECBINFHSA-N 430.766 4.042 5 20 IIBD Cc1ccc(OC(F)F)c(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c1 756974008 IZLSANPJHCYKQD-UHFFFAOYSA-N 433.180 4.336 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Oc2cccc(CNC(=O)OC(C)(C)C)c2)c1 758455875 UOYOBBNYXCVVAL-UHFFFAOYSA-N 436.486 4.004 5 20 IIBD CC(C)(C)OC(=O)N[C@H](CC(F)F)c1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 762306920 APDJTGQUUAOBGH-CQSZACIVSA-N 437.403 4.271 5 20 IIBD Cc1cc(=O)oc2cc(OCc3nc(Cc4c[nH]c5ccc([N+](=O)[O-])cc45)no3)ccc12 762310715 VRXIIZRWHNCEKB-UHFFFAOYSA-N 432.392 4.044 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cc2ccccc2nc1Br 762504456 ZEPRNIUNIMHIKO-UHFFFAOYSA-N 436.287 4.323 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1SCCO)C(=O)Nc1ccc(C(C)(C)C)cc1 763742926 DRLHEEURFCWKHA-CQSZACIVSA-N 446.525 4.161 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN(C)Cc2cnn(-c3ccccc3)c2)c1=S 764865381 QQNSYCIAOZQYNR-UHFFFAOYSA-N 449.540 4.284 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCCN(c3ccccc3)CC2)c1=S 764908083 CELVLKGIWQJBSY-UHFFFAOYSA-N 438.557 4.179 5 20 IIBD COc1cccc([C@@H](O)CN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)Cc2ccccc2)c1 766973557 VRZCDOPGMLNMBT-DEOSSOPVSA-N 449.507 4.086 5 20 IIBD COc1cccc(C(=O)OCC(=O)c2cc(C)n(Cc3cccs3)c2C)c1[N+](=O)[O-] 769602426 FYUFOCSWKYEBGP-UHFFFAOYSA-N 428.466 4.171 5 20 IIBD COc1ccccc1COC1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 769956631 GQKYNCCMMFVDCL-HNNXBMFYSA-N 447.919 4.265 5 20 IIBD C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 771765457 PKALKMTUFLXWRV-RYUDHWBXSA-N 446.426 4.381 5 20 IIBD Cn1ncc(C(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)c1Cc1ccccc1 773582044 IUSBCRJRIIAZGF-UHFFFAOYSA-N 430.258 4.039 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1sc(-c2ccccc2C)nc1C 775117631 IIHKONGLKQFKQS-UHFFFAOYSA-N 441.465 4.139 5 20 IIBD CSc1cccc(C(=O)O[C@@H](C(=O)N[C@@H]2CCOc3ccccc32)C(C)C)c1[N+](=O)[O-] 777074191 QNMMZFUHPZFAPD-OXQOHEQNSA-N 444.509 4.138 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)OCc2ccc(Cl)cn2)cc1[N+](=O)[O-] 778076001 WUDYOOONIGUPPI-UHFFFAOYSA-N 439.855 4.297 5 20 IIBD COc1cc(NC(=O)C(C)C)c(C(=O)OCc2ccc([N+](=O)[O-])cc2Cl)cc1OC 778335593 XKOBQXOUEWRVOV-UHFFFAOYSA-N 436.848 4.217 5 20 IIBD Cn1cc(-c2nc([C@H]3CCCCCN3C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)no2)cn1 779837993 VDENGGNXYDTVLA-OAHLLOKOSA-N 445.867 4.181 5 20 IIBD O=C(OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1c2c(nc3ccccc13)CCC2 780360162 AQZJLEUQIQQHED-INIZCTEOSA-N 445.475 4.093 5 20 IIBD C[C@@H](OC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])C(=O)NCc1cccs1 787249078 XFZAWFKJTXAGAA-OAHLLOKOSA-N 440.477 4.097 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])cc2F)C[C@H](C)O1 790540293 WXTOAOYBLRHIME-RYUDHWBXSA-N 439.846 4.321 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCc1cccc(COCC(F)(F)F)c1 790560285 ULPZIKKSWOIVTR-UHFFFAOYSA-N 434.773 4.325 5 20 IIBD Cc1cc(-c2noc([C@@H](C)NC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])n2)ccc1F 790562493 YCPYCQHQHICYNB-SNVBAGLBSA-N 436.802 4.305 5 20 IIBD O=C(Cc1coc2cc(F)ccc12)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791172811 POORJSUAJBIDOI-UHFFFAOYSA-N 433.233 4.370 5 20 IIBD CC(C)Oc1cccc(CC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c1 791173696 FBXALASKFJUCPI-UHFFFAOYSA-N 433.302 4.272 5 20 IIBD CN(CC(=O)Nc1ccccc1Cl)C(=O)COc1cc(Cl)c(Cl)cc1[N+](=O)[O-] 794495116 AWQHQPQYKVETBR-UHFFFAOYSA-N 446.674 4.031 5 20 IIBD O=c1oc2cccc([N+](=O)[O-])c2n1CN1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 794643676 SQIXMUNUQFFIET-OAHLLOKOSA-N 439.415 4.269 5 20 IIBD CC(C)O[C@@H](C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccccc1 796418648 OCJWJOMNIGVYBD-GOSISDBHSA-N 440.374 4.262 5 20 IIBD C[C@H](C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1OCCc2sccc21 796486054 DUNZJSUENCMSJO-MGPLVRAMSA-N 426.288 4.412 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1c1ccccc1 800657981 DRSAXERQZXHPFI-DOTOQJQBSA-N 445.903 4.381 5 20 IIBD C[C@]12CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)C[C@@H]1C2(Cl)Cl 803547757 APKBPHIMNWTDJJ-GWCFXTLKSA-N 426.069 4.152 5 20 IIBD C[C@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Br)cc1F 803644180 UTSDWPXTYARXEF-JTQLQIEISA-N 440.225 4.215 5 20 IIBD Cc1cc(N2CCCCCC2)ccc1NC(=O)C(=O)Nc1c(F)ccc([N+](=O)[O-])c1C 807313673 MTWKYMVYMOJCNE-UHFFFAOYSA-N 428.464 4.308 5 20 IIBD COc1cc(/C=C\c2nc(CCC(C)(C)[N+](=O)[O-])no2)ccc1OCc1c(C)noc1C 812814771 PYZDAQVYAAOMLW-CLFYSBASSA-N 442.472 4.420 5 20 IIBD O=C(Nc1ccc(CN2C(=O)CSC2=O)cc1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 812956055 YTRNAZLISGPKTB-UHFFFAOYSA-N 440.264 4.349 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C2)C1 814478295 RBQOCURSERGQLL-IAGOWNOFSA-N 432.521 4.486 5 20 IIBD CC(=O)Nc1cccc(NC(=O)[C@H](OC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C(C)C)c1 815405503 YYHSIPDNSCAZOL-LJQANCHMSA-N 447.875 4.335 5 20 IIBD COc1cc(COC(=O)[C@H](C)Cc2cnc3ccccc3n2)c([N+](=O)[O-])cc1OC(F)F 815467609 CELVCPBBMIDFPG-GFCCVEGCSA-N 447.394 4.070 5 20 IIBD C[C@@H](c1ccc(F)cc1)N1CC[C@H](OC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1=O 815511303 DFGXWYAUGIOCJC-GTNSWQLSSA-N 440.349 4.272 5 20 IIBD CCc1ccc([C@@H](C)NC(=O)[C@@H](C)OC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 822599036 WZISUCIXLHFZDL-IAGOWNOFSA-N 439.512 4.180 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 897608837 BKXOKPSUZFWPRP-UHFFFAOYSA-N 430.264 4.469 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Oc1ccc2cc(Br)ccc2c1 915280957 ZZADHYZCBLBMPT-UHFFFAOYSA-N 426.226 4.466 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cccc(N3CCOC3=O)c2)cc1)c1cccc([N+](=O)[O-])c1 915810684 IEQUELBJKQHCJY-UHFFFAOYSA-N 447.403 4.023 5 20 IIBD O=C(NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1sc2ccccc2c1Cl 915818774 JHRJHDLVMKRLEU-UHFFFAOYSA-N 431.278 4.235 5 20 IIBD Cn1c(SCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)nc2cc(Cl)ccc21 915994473 KQWWQNWDGAMDLJ-UHFFFAOYSA-N 448.888 4.027 5 20 IIBD O=C1N[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)s2)Nc2ccc(N3CCOCC3)cc21 917499335 DFPGHKXYNVDATA-NRFANRHFSA-N 436.493 4.014 5 20 IIBD O=C(OCc1ccc(OC(F)F)cc1)c1cc([N+](=O)[O-])ccc1I 918505584 UFRXTYZLPURFDP-UHFFFAOYSA-N 449.147 4.158 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@H](C)c1cccc(Cl)c1 918765321 OXGIVIHVWPFGLS-FZKQIMNGSA-N 436.917 4.404 5 20 IIBD O=C(Cn1c(COc2ccccc2)nc2ccccc21)OCc1cc(F)ccc1[N+](=O)[O-] 918818147 MXBAUGWVYOYGFV-UHFFFAOYSA-N 435.411 4.406 5 20 IIBD Cc1cc(=O)c(C(=O)O[C@@H](C)c2ccc(F)c(Cl)c2)nn1-c1ccccc1[N+](=O)[O-] 920162625 PMUIJWJILLCXJX-LBPRGKRZSA-N 431.807 4.160 5 20 IIBD COc1ccc(CC(=O)NCc2ccc(C(=O)O[C@H](C)c3ccccc3[N+](=O)[O-])cc2)cc1 920269504 SSFRXDBMCUQLDF-QGZVFWFLSA-N 448.475 4.380 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)c1nnc(-c2ccc(Br)s2)o1 1117221643 IMAOGPBKSOPWDD-MRVPVSSYSA-N 427.284 4.074 5 20 IIBD NC(=O)c1ccc(SCC(=O)Nc2ccc(SC(F)(F)F)cc2)c([N+](=O)[O-])c1 1318096715 OPBVCRRIJGJOCX-UHFFFAOYSA-N 431.417 4.036 5 20 IIBD Cc1ccc(O)c(Cl)[n+]1/C(C(=S)NCC1CCC1)=C(/O)c1cccc([N+](=O)[O-])c1 1321470822 LVXPHCLOUKVDLU-UHFFFAOYSA-O 434.925 4.151 5 20 IIBD C[C@H](NC(=O)c1cccc(Cl)c1Cl)c1nnc(COc2ccccc2[N+](=O)[O-])o1 1326136318 DHLIXVJNVZBQIV-JTQLQIEISA-N 437.239 4.355 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([C@H]2C(=O)Nc3ccccc32)CC1 1338290920 VPKXSNCGLNBVPK-JLTOFOAXSA-N 425.510 4.050 5 20 IIBD Cc1nc(-c2ccccc2)sc1-c1nnc(-c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)o1 1345818076 MHWWXKDLWXXHOP-UHFFFAOYSA-N 442.478 4.147 5 20 IIBD O=C(O[C@@H]1CCCS(=O)(=O)C1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 1347109061 VIGIXORYMMTPLJ-CQSZACIVSA-N 441.914 4.133 5 20 IIBD O=C(NC1(c2ccc(NC(=O)C34CC(F)(C3)C4)cc2)CCC1)c1cc(F)cc([N+](=O)[O-])c1 1786424894 MXTOHIRPBNZQPG-UHFFFAOYSA-N 441.434 4.374 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])NC1(c2ccc(NC(=O)c3cocn3)cc2)CCC1 1787553171 QVMQTXONRXOYDV-IZZDOVSWSA-N 432.436 4.044 5 20 IIBD O=C(Cc1cccnc1)NC1(c2ccc(NC(=O)c3cccc(F)c3[N+](=O)[O-])cc2)CCC1 1790698653 GHUIXYFSDCYMNK-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC1(c2ccc(NC(=O)C34CC(C3)C4)cc2)CCC1 1792036228 NKARJDNBXMSVFL-UHFFFAOYSA-N 448.523 4.209 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2C2CC2)[nH]n1 1823500845 HKYLSGJDZCPCBA-PLUOWURXSA-N 449.511 4.070 5 20 IIBD CC(C)/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc(F)ccc2[N+](=O)[O-])CC1 1832888331 GQEKTHVNPGDGSF-JLXBBBJOSA-N 445.535 4.108 5 20 IIBD Cc1ccc2cc(C(=O)N3CC4(CCCN4C(=O)Cc4cccc([N+](=O)[O-])c4)C3)sc2c1 1841004310 YMRSBHBSZCEHKC-UHFFFAOYSA-N 449.532 4.178 5 20 IIBD CC(C)[C@H](C(=O)N1CCCC12CN(C(=O)c1ccc([N+](=O)[O-])o1)C2)c1ccc(Cl)cc1 1841416198 BBBHZDQFADJHGR-IBGZPJMESA-N 445.903 4.098 5 20 IIBD CC[C@H](C)[C@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 1847208757 SUWXNNSLRQGEDX-KLDBBTDTSA-N 449.551 4.169 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)COc2ccc(F)cc2)c2ccccc2)c([N+](=O)[O-])c1 10148875 ZSBFURDEZAFQCN-QFIPXVFZSA-N 438.411 4.344 5 20 IIBD COc1ccc(NC(C)=O)cc1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1-c1cccs1 15359212 FXCBCJQGDDORFM-UHFFFAOYSA-N 448.478 4.058 5 20 IIBD O=C(COC(=O)Cc1csc(-c2cccs2)n1)Nc1ccc(Cl)cc1[N+](=O)[O-] 17935155 GRMJFJTVAGNTNG-UHFFFAOYSA-N 437.886 4.158 5 20 IIBD CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc3cc4ccccc4cc3c(=O)n2C)cc1 22253145 WCOTZWWRRGMIKI-OAHLLOKOSA-N 431.517 4.409 5 20 IIBD CCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2c(C(C)=O)oc3ccccc23)cc1[N+](=O)[O-] 25386725 LQTJRTQWYRFOEA-CYBMUJFWSA-N 440.408 4.126 5 20 IIBD Cc1ccccc1CCNC(=O)[C@H](C)Sc1nc2cc3ccccc3cc2c(=O)n1C 26580929 JHJHGLQJOSVKLE-KRWDZBQOSA-N 431.561 4.235 5 20 IIBD CSc1cccc(NC(=O)[C@H](C)OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 28774617 PIHGTANFGNKMOI-INIZCTEOSA-N 446.528 4.447 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC(N3CCCCC3)CC2)cc1 58263583 UTLORXYLJRSSLF-UHFFFAOYSA-N 439.512 4.486 5 20 IIBD Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(C)c3ccc([N+](=O)[O-])cc3)cc2)cc1 58520298 IOURDBFHCRMHDJ-UHFFFAOYSA-N 439.493 4.005 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CCCc3cc(Br)ccc32)cc([N+](=O)[O-])c1 59813666 GTVWFJJBPXAOSO-UHFFFAOYSA-N 433.258 4.127 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCCc2cc(F)cc(F)c2)cc1[N+](=O)[O-])c1ccccn1 60309797 POKOVMQUAVHXSX-AWEZNQCLSA-N 426.423 4.414 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)c(OCc2ccccc2)c1 60399158 BPNAQTGULNQAFV-QGZVFWFLSA-N 433.464 4.239 5 20 IIBD C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)c2)C1 62922254 QJIRGEIVCPLYCE-BEFAXECRSA-N 439.468 4.237 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3nc(C4CC4)sc3c2)cc1OC 63980315 JLADKNNADJQVEE-UHFFFAOYSA-N 443.481 4.368 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NCc2cccnc2Oc2cccc(F)c2)c([N+](=O)[O-])c1 64113292 JPTFGZZMRAIURB-UHFFFAOYSA-N 447.426 4.498 5 20 IIBD CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 65127824 HHOABXFXLFKGNI-UHFFFAOYSA-N 446.479 4.201 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N(C)Cc2c(C)noc2C)c([N+](=O)[O-])c1 106262816 LNMXPRQEKMANSU-UHFFFAOYSA-N 444.513 4.051 5 20 IIBD COc1ccc(N(C)C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC 109135781 KADXIDOXGMGZTE-UHFFFAOYSA-N 430.404 4.386 5 20 IIBD CCOc1cc(C(=O)Nc2ccnn2[C@@H]2CCCc3ccccc32)c([N+](=O)[O-])cc1OC 115955132 NENSVPALTJZGEC-GOSISDBHSA-N 436.468 4.377 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2cc(F)cc(N3CCOCC3)c2)CC1 216408818 WGHZTZOCLOWZOQ-UHFFFAOYSA-N 442.491 4.059 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCC1(c2ccccc2Br)CC1 301404608 STJKLJGUWHVGSA-UHFFFAOYSA-N 432.274 4.458 5 20 IIBD O=c1c(Cl)c(N2CC=C(c3c(F)cccc3F)CC2)cnn1-c1ccc([N+](=O)[O-])cc1 302298344 YBMOCJKAALWUEH-UHFFFAOYSA-N 444.825 4.366 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C3)cs1 302785804 VLJBDLSVUVHYLG-UHFFFAOYSA-N 435.552 4.054 5 20 IIBD C[C@@H](CCc1ccc(Br)cc1)NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 303458401 KRAMGSNGEFZNSM-LBPRGKRZSA-N 444.285 4.362 5 20 IIBD CN(Cc1ccco1)Cc1ccccc1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 303899573 LCTWWHOQENXGLA-UHFFFAOYSA-N 434.496 4.324 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)c1 303984369 HJCGZGVGWAFPCV-UHFFFAOYSA-N 433.302 4.144 5 20 IIBD COc1cccc([C@@H]2C[C@@H](O)CN2c2c([N+](=O)[O-])cnc3ccc(Br)cc23)c1 409653366 QLTLKBVAMZZBDL-KDOFPFPSSA-N 444.285 4.226 5 20 IIBD CCOc1ccccc1[C@H](CC(C)C)NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 426069512 KHBBVBWZGINHPQ-IBGZPJMESA-N 429.521 4.324 5 20 IIBD CC[C@]1(O)CCN(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)C1 430062544 UFJDKVXXGJXECT-FQEVSTJZSA-N 437.855 4.236 5 20 IIBD O=C(NC[C@H](CO)Cc1ccccc1Br)c1cc2cc([N+](=O)[O-])ccc2s1 430180499 SUWWXIQOFLUWRE-GFCCVEGCSA-N 449.326 4.153 5 20 IIBD Cc1c(NC(=O)C(=O)N(Cc2cccs2)C(C)C)cc(Br)cc1[N+](=O)[O-] 430322430 RBUPZDLHIKOOIL-UHFFFAOYSA-N 440.319 4.103 5 20 IIBD CCO[C@H](C)c1nc(CC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cs1 431185510 YSBMEWSZYRERGG-SNVBAGLBSA-N 428.308 4.401 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H](OCCCc2ccccc2)C1 431478136 PUYYIOMKRCIHLD-LJQANCHMSA-N 433.302 4.221 5 20 IIBD C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1I 434250179 PCZAXCHVHJOJSJ-WFASDCNBSA-N 436.249 4.218 5 20 IIBD Cc1ccccc1N1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 435826850 NEZWVOPBLZKNTH-UHFFFAOYSA-N 433.458 4.230 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N(Cc1ccc(F)cc1F)C1CCCC1 437459955 PSBRBOFRUVCFNP-UHFFFAOYSA-N 437.830 4.436 5 20 IIBD Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 439373247 BNNYBFFMBLKZAN-UHFFFAOYSA-N 439.515 4.242 5 20 IIBD Cc1ccc(Oc2ccccc2)c(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)c1 440616629 JGWZEWJBLABFRC-UHFFFAOYSA-N 433.420 4.060 5 20 IIBD COc1ccccc1NC(=O)C1CCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 443949440 SXHXOLRRSIIPHX-UHFFFAOYSA-N 426.473 4.103 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccc(OC3COC3)cc2)cc1[N+](=O)[O-])c1ccccn1 444316057 JEGPUIGKLHRELK-OAHLLOKOSA-N 434.452 4.193 5 20 IIBD C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 444409310 JJROHFXGCKLZFW-VBKZILBWSA-N 426.860 4.036 5 20 IIBD C[C@@H](NC(C)(C)CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 446188775 MYHRBMRHWXNWBB-CQSZACIVSA-N 434.334 4.145 5 20 IIBD O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCc2ccc([N+](=O)[O-])cc2C1 446427642 IIWLMXCQRHDERO-UHFFFAOYSA-N 425.448 4.041 5 20 IIBD Cc1ccccc1OCCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 447038134 KLGQFZZTYOMQRB-UHFFFAOYSA-N 432.420 4.012 5 20 IIBD Cc1ccc(N[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1NC(=O)CN1CCCCC1 447603137 WVIISZTVLZUOSB-FPOVZHCZSA-N 440.548 4.120 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)cc1OC 460576518 QZRGKDVJEIVOLS-CQURBHOASA-N 448.903 4.409 5 20 IIBD COc1cc([C@@H](C)NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(OC)c1OC 463399509 YTYWKQUXIAVTRD-SNVBAGLBSA-N 428.363 4.130 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(COC3CCCC3)cc2)c2ncccc12 463779147 FJQDQSGVXNGIPW-UHFFFAOYSA-N 427.482 4.403 5 20 IIBD CCc1ccc([C@H](NC(=O)c2csc([N+](=O)[O-])c2)c2cccc(S(C)(=O)=O)c2)cc1 464367621 ORYJHGSSBFGULA-FQEVSTJZSA-N 444.534 4.142 5 20 IIBD Cc1c(NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cccc1C(=O)Nc1ccccc1 465172402 WNANXYSOTOJCMK-UHFFFAOYSA-N 447.447 4.108 5 20 IIBD CCN(CC(C)(C)O)C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 465180617 ABLRNICISWQBGZ-UHFFFAOYSA-N 439.871 4.482 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Nc2cc(OCC)ncn2)CC1 466845832 MYECGJVBGZMVSV-UHFFFAOYSA-N 445.545 4.002 5 20 IIBD COCc1nc(C)cc(NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)n1 467008534 YOGRFWTZNAJIBS-UHFFFAOYSA-N 432.839 5.037 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccc(F)cc1[N+](=O)[O-] 467288496 OKTVQRGAMXWYDL-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD C[C@]1(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCCS1 467321369 LYVYBNRAEKNCFF-GOSISDBHSA-N 431.480 4.232 5 20 IIBD CC[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCO1 467806705 KCSDOAHEAMMXHF-OAHLLOKOSA-N 431.876 4.142 5 20 IIBD COC(=O)c1nc([C@H]2CCCN2Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)sc1C 471024653 CDANEQAMAUMCGJ-MRXNPFEDSA-N 428.470 4.138 5 20 IIBD O=C(NC1CC1)c1ccc(N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)c([N+](=O)[O-])c1 473911713 KPFQFZROCJMCGY-MRXNPFEDSA-N 449.294 4.011 5 20 IIBD O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 475203846 MZJFHGSBBCZZTM-ZDUSSCGKSA-N 436.390 4.496 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C(=O)N1Cc2ccccc2C1 477576186 GISVNMCRZOIAIX-OAHLLOKOSA-N 427.526 4.148 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cc(F)cc2c1OCOC2 480614452 QJLBYPJDHMRUAN-UHFFFAOYSA-N 434.489 4.321 5 20 IIBD Cc1ccccc1CN(Cc1cccnc1)S(=O)(=O)c1c([N+](=O)[O-])ccc(C)c1C 480954079 MTXPWIBPZSUKHZ-UHFFFAOYSA-N 425.510 4.306 5 20 IIBD Cc1c(NC(=O)CCN[C@H](c2ccccc2)c2nc3ccccc3n2C)cccc1[N+](=O)[O-] 481421874 RIYQCZUAOFSCFG-XMMPIXPASA-N 443.507 4.498 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H]1c1nc2ccccc2n1C(C)C 481448411 NNJFQZPKSANNKI-IBGZPJMESA-N 428.514 4.360 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C(=O)NCc2ccccn2)c1 482817154 LPJINHVVLAIOCR-HNNXBMFYSA-N 436.493 4.039 5 20 IIBD O=C(NCc1ccncc1)Nc1cccc(CN[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 482953473 USEXYLRUIDXSIO-HSZRJFAPSA-N 445.523 4.422 5 20 IIBD O=C(c1cc(NCCCNc2ccc(C(F)(F)F)cn2)ccc1[N+](=O)[O-])N1CCCC1 486159917 UONPADZHZNKBRS-UHFFFAOYSA-N 437.422 4.159 5 20 IIBD CC(C)CCn1ncc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1C(C)C 487757576 GYHMXUCTOLPUIJ-UHFFFAOYSA-N 443.548 4.337 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCc2c(cnn2-c2ccccc2)C1 497480497 DLTKABJVFMEDLK-UHFFFAOYSA-N 431.477 4.103 5 20 IIBD CCOc1ncccc1CNc1ccc(C(=O)c2ccccc2C(=O)OC)cc1[N+](=O)[O-] 497532309 JACKRXGEIUJOGR-UHFFFAOYSA-N 435.436 4.018 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCOC[C@@H]1c1nc2ccccc2s1 500672426 ZGSQVMTXKNERGM-OAHLLOKOSA-N 437.399 4.437 5 20 IIBD Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCCN1C(=O)c1cccc([N+](=O)[O-])c1C 501203508 BWHRTLSBKNOSQK-NRFANRHFSA-N 438.459 4.059 5 20 IIBD CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1cc(O)cc([N+](=O)[O-])c1 505459127 XGMJIYOEFBMNFZ-UHFFFAOYSA-N 426.256 4.098 5 20 IIBD COc1ccc(Br)cc1CN(C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] 506777662 OLQQJWLYDFKUCW-UHFFFAOYSA-N 425.279 4.015 5 20 IIBD COc1cc(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2Cl)ccc1[N+](=O)[O-] 508799950 CLSQZXLFMNUJMJ-UHFFFAOYSA-N 441.875 4.494 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2CCCC[C@@H]21 509026471 LAOUORQDIQOMCN-WBMJQRKESA-N 428.270 4.303 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)Cc2csc(-c3ccc(Br)cc3)n2)c1 509147455 UGLXXRUTLVQGTD-UHFFFAOYSA-N 439.312 4.455 5 20 IIBD Cc1nn(-c2ccc(F)cc2)cc1CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 509330915 JUBABBSYVREQMW-UHFFFAOYSA-N 425.464 4.348 5 20 IIBD CC[C@@H](c1ccncc1)N(C)C(=O)c1cc([N+](=O)[O-])cc(I)c1C 509408605 AMFQBEPSVCMSEG-INIZCTEOSA-N 439.253 4.126 5 20 IIBD O=C(N[C@@H](c1cccc2ccccc12)C(F)(F)F)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 511736672 LSINZEIDXSNOOO-IBGZPJMESA-N 441.369 4.362 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)ccc1[N+](=O)[O-] 513019668 GKKWORQCJQASJU-JTOYRKQZSA-N 447.535 4.445 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2ncc[nH]2)cc1 513557594 WGXLITODGUHNCF-UHFFFAOYSA-N 448.220 4.150 5 20 IIBD Cc1csc(Sc2ccc(NC(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)cc2)n1 515904904 OINRSVDSKQNXCP-UHFFFAOYSA-N 442.478 4.058 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1c(C)c(C(C)(C)C)nn1-c1ccccc1 518602777 MFLATWXBDLGPKL-UHFFFAOYSA-N 428.514 4.496 5 20 IIBD CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)CSc1ccc([N+](=O)[O-])cc1 521573375 MBUSTUVQPKNPRP-UHFFFAOYSA-N 441.475 4.296 5 20 IIBD Cc1ccc(C(=O)N[C@H](CC(=O)N2CCc3c2cccc3[N+](=O)[O-])c2ccccc2)cc1 523133789 ZCWLONKPTFKQFG-OAQYLSRUSA-N 429.476 4.354 5 20 IIBD Cc1nc(CNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])nc2ccccc12 523295364 KLEQLWSFKDVFJI-UHFFFAOYSA-N 449.492 4.259 5 20 IIBD CCOC(=O)[C@H]1CCCCN1C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 523446431 HTGVMTSWTCCOQR-LJQANCHMSA-N 445.903 4.418 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ncc(-c3ccccc3)s2)ccc1[N+](=O)[O-] 523946779 QGZDUSHPLZJZRQ-SFHVURJKSA-N 436.493 4.270 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCN(c2cccc(O)c2)CC1 524223581 YBLPCRYOFCQUAQ-UHFFFAOYSA-N 434.452 4.447 5 20 IIBD CCOc1ccc(Br)cc1N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 524405974 YAMIDVQIIICXHM-NSHDSACASA-N 438.278 4.204 5 20 IIBD O=C(Nc1cccc(-c2cccs2)c1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 524622950 RUGYNPPKTWERTK-UHFFFAOYSA-N 436.493 4.313 5 20 IIBD O=C(Nc1cccc(NC(=O)C2CCCCC2)c1)c1cc([N+](=O)[O-])cc2c1OCCO2 530940160 KZUXTFGJTVPVHY-UHFFFAOYSA-N 425.441 4.137 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 532235962 SAUGCKRVHQNDKR-MRXNPFEDSA-N 437.587 4.033 5 20 IIBD O=C(CCc1ccccc1)N1CC[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 532302458 PKRILUPIJUJJFC-LJQANCHMSA-N 436.537 4.042 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc([C@H]2C[C@H]3CC[C@H]2C3)[nH]n1 534256750 SXMBKAFLFKQAGJ-YDHLFZDLSA-N 444.513 4.129 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncc(-c3ccccc3)s2)c(Br)c1 535613146 KPSUXYCQFPFUIQ-UHFFFAOYSA-N 440.300 4.282 5 20 IIBD COc1cc(-c2noc(CSCCc3ccc([N+](=O)[O-])cc3)n2)cc(OC)c1OC 537565785 DCRARRQSHGFTLS-UHFFFAOYSA-N 431.470 4.147 5 20 IIBD C[C@H]1CCN(C(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC12CCC2 538935679 WCVYXSJRAHSNJX-INIZCTEOSA-N 443.525 4.048 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNC3CCN([C@H]4CCCC[C@H]4O)CC3)o2)c(Cl)c1 539525253 GDOYVHIYNNXWMH-LEWJYISDSA-N 433.936 4.366 5 20 IIBD CNc1ccc(C(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)cc1[N+](=O)[O-] 539892001 UQABVCXETKEHNB-UHFFFAOYSA-N 429.305 4.419 5 20 IIBD O=C(CCc1ncc(-c2ccccc2Br)o1)Nc1cc([N+](=O)[O-])ccc1O 539970717 LXVFBCNBJVGSEI-UHFFFAOYSA-N 432.230 4.289 5 20 IIBD C[C@@H](NC(=O)Nc1ccc2c(c1)N(C(=O)C(C)(C)C)CCO2)c1ccccc1[N+](=O)[O-] 540404976 UJQCHVOBIKRKJG-CQSZACIVSA-N 426.473 4.249 5 20 IIBD COc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C 540601983 BHRRAKAZVBLUAJ-AOMKIAJQSA-N 436.468 4.122 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(N2C(=O)CN(C)C2=O)c1 540735245 BPNHEIVGMXZILT-UHFFFAOYSA-N 442.497 4.138 5 20 IIBD Cc1cc(NC(=O)CCc2nc(-c3cc(Br)cs3)no2)ccc1[N+](=O)[O-] 540741996 LMEJFBKZYOKUGX-UHFFFAOYSA-N 437.275 4.349 5 20 IIBD Cc1cc(CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)ccc1I 540820814 ZZACIMNEARSANS-GFCCVEGCSA-N 439.253 4.068 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)N1CCC(CCCO)CC1 541160245 CXIWKBGIPQGWEJ-UHFFFAOYSA-N 431.920 4.485 5 20 IIBD COC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc2ccccc2c1 541229853 UHIIARYWIXFJRE-SFHVURJKSA-N 443.253 4.155 5 20 IIBD Cc1c(-c2nc(-c3ccc(Oc4cccnc4)cc3)no2)nnn1-c1cccc([N+](=O)[O-])c1 544667197 QCIKUJWJKHSRKW-UHFFFAOYSA-N 441.407 4.388 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(N[C@H](C)c2nc3ccccc3n2CC)c([N+](=O)[O-])c1 545209421 BJEDBFFWAHRRGB-OAHLLOKOSA-N 445.545 4.168 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC(Oc2cccc(Br)c2)CC1 546112020 FRIHTEDDLRFSTG-UHFFFAOYSA-N 449.301 4.196 5 20 IIBD COc1ccc(CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H](C)C2CC2)c(OC)c1 548944622 DFPULBXPCFERDE-HNNXBMFYSA-N 438.484 4.463 5 20 IIBD COc1cccc(Oc2ccc(NC(=O)C(=O)N(C)CCc3cccc([N+](=O)[O-])c3)cc2)c1 549343205 YRYQJMGAQSSBNI-UHFFFAOYSA-N 449.463 4.035 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1C[C@@H]2CCCCN2c2ccccc21 549940204 GXBMCLARSPFCEJ-ZDUSSCGKSA-N 442.324 4.469 5 20 IIBD CC[C@H](CO)NC(=O)c1ccc(NCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)cc1 550065561 GBWJZBACLGCBSI-HXUWFJFHSA-N 448.523 4.476 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccccc2-c2ncc3n2CCCC3)cc([N+](=O)[O-])c1 557031075 QQXUKPAAUALQGA-UHFFFAOYSA-N 434.452 4.224 5 20 IIBD C[C@@]1(c2ccccc2)CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCOC2)C1 559241753 UPVVVKFLCQEBFN-UQBPGWFLSA-N 447.539 4.448 5 20 IIBD CC(C)(C(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1)c1ccccc1[N+](=O)[O-] 559409489 PQKWXHQIOHEKHQ-MRXNPFEDSA-N 438.459 4.468 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC(c2ncc3n2CCCC3)CC1 564671565 ISAMUXXBZWIWLB-UHFFFAOYSA-N 447.333 4.218 5 20 IIBD CSc1ccc(-c2nc(CNC(=O)c3ccc(Br)cc3)no2)cc1[N+](=O)[O-] 566035920 JTNFNNZBERKKNH-UHFFFAOYSA-N 449.286 4.059 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2c(OC)cccc2OC(F)(F)F)cc1SC 571232119 NLNGLBXAFFOXIY-UHFFFAOYSA-N 446.403 4.163 5 20 IIBD CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 576425242 IEBVEPVKHWXQEE-UHFFFAOYSA-N 440.500 4.382 5 20 IIBD COc1ccc(CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@H](C)C2CC2)c(OC)c1 578739009 YKUXDMHUFAPIKS-MRXNPFEDSA-N 427.501 4.165 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN(c2ccccc2)C1 579265966 NWBHQUXEDCBSSQ-OAHLLOKOSA-N 432.318 4.312 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@H](O)COc1ccccc1C(F)(F)F 579891290 LNBFAVDWBPVUMY-HNNXBMFYSA-N 441.406 4.080 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CN[C@H]2CCCOc3cc(F)ccc32)c1 580825729 FWQNTFVPZDLRQB-INIZCTEOSA-N 442.228 4.342 5 20 IIBD CCOC(=O)c1n[nH]c(-c2cccc(CNCc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c2)n1 584318416 IJSIFJZMHHTEQX-UHFFFAOYSA-N 447.451 4.106 5 20 IIBD COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1ccc([N+](=O)[O-])c(O)c1)CC2 596743460 HNTXNSXVQKZBLQ-OAQYLSRUSA-N 440.477 4.167 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)Cc1ccc(C(C)C)cc1 603470817 SHGJUJJWLRXDRM-NRFANRHFSA-N 443.569 4.228 5 20 IIBD Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)CCOc1ccccc1[N+](=O)[O-] 603969910 MXEFIUWPUXLVGB-UHFFFAOYSA-N 425.485 4.373 5 20 IIBD CC[C@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1nnc2n1CCCCC2 609357540 LCWSQRWUJMQODL-IBGZPJMESA-N 448.527 4.406 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccccc1CN(C)C(=O)c1cccs1 610000185 JUAYXXBRTZEWCB-UHFFFAOYSA-N 438.509 4.288 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N(Cc1cccs1)C[C@H]1CCCO1 610037838 ZZIGSYICWQGHAH-CYBMUJFWSA-N 425.304 4.240 5 20 IIBD CC1CCN(c2cccc(NC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)c2)CC1 610048869 ITDZBEZJOXNRTM-UHFFFAOYSA-N 438.484 4.158 5 20 IIBD C[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CN(Cc2ccccc2)CCO1 610162252 LPOAZTWWTAVHAH-VGOFRKELSA-N 438.553 4.097 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NC[C@H]2CCO[C@@H](C)C2)c([N+](=O)[O-])c1 611298622 GFCIXQKJCNOEFR-IRXDYDNUSA-N 433.530 4.037 5 20 IIBD Cc1cc(CN2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)CC2)on1 612709707 QCEXWKHANTVDGF-UHFFFAOYSA-N 438.509 4.000 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOc2c(Br)cccc2C1 619420609 LMOBNEKPICXPIO-LBPRGKRZSA-N 437.315 4.259 5 20 IIBD O=C(N[C@@H]1CCCc2occc21)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727475177 QVODDNOXSQFKET-MRXNPFEDSA-N 438.406 4.116 5 20 IIBD C[C@H](NC(=O)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 729596513 IZGBHPZSGUEDFE-GTNSWQLSSA-N 431.798 4.059 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 732026596 BXQDZAUPMCLCHM-UHFFFAOYSA-N 427.457 4.149 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1csc(CNC(=O)OC(C)(C)C)n1 732735996 DNGAGINQACXJRU-UHFFFAOYSA-N 434.518 4.127 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cccc(COc2cccc(F)c2)c1 734051274 SZTCLPJOMNSQAH-UHFFFAOYSA-N 438.411 4.417 5 20 IIBD Cc1cc(OC(F)F)c(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)s1 734058934 QAVNYNYBRCNLGM-MRVPVSSYSA-N 434.804 4.404 5 20 IIBD O=C(Nc1nc(/C=C/c2ccccc2)cs1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 735263235 OITZCONFRRSUCY-VOTSOKGWSA-N 436.493 4.311 5 20 IIBD CS[C@@H]1CC[C@H](NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 742742601 RQOWTDNRWLSIJF-LSDHHAIUSA-N 431.480 4.230 5 20 IIBD O=C(CCCn1cccn1)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 743237713 PFIWQZFDSJMBQC-FQEVSTJZSA-N 442.859 4.148 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 744367509 LLQHXOWVOAHTKZ-INIZCTEOSA-N 427.360 4.410 5 20 IIBD Cc1ccccc1-c1cnc(COC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)o1 744928924 ZMYKWYDLMBDIPK-HXUWFJFHSA-N 449.463 4.215 5 20 IIBD CCCN([C@H]1CCc2ccccc21)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 746186456 SFWUATYSKPZATG-KRWDZBQOSA-N 439.331 4.446 5 20 IIBD O=C(NOCc1ccc(C(F)(F)F)cc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 746932476 ADHAQUKEYHBBRH-UHFFFAOYSA-N 438.280 4.416 5 20 IIBD CCN(Cc1ccccc1Br)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O 747077610 XOPCUXHBBGHDLZ-UHFFFAOYSA-N 443.301 4.061 5 20 IIBD COc1cc(COC(=O)c2c(F)c(F)cc(F)c2F)c([N+](=O)[O-])cc1OC(F)F 748212138 KIVPTVLRJPDDOQ-UHFFFAOYSA-N 425.237 4.118 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)c1 748539982 DELLPTDPFNABMX-INIZCTEOSA-N 434.823 4.150 5 20 IIBD O=C(Nc1cccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1)c1ccoc1 748647636 VBRAPHBPZLGAQJ-UHFFFAOYSA-N 430.214 4.455 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2cc(Cl)cc(Br)c2O)cc1[N+](=O)[O-] 748859977 HYUSFNDBSRJGPN-UHFFFAOYSA-N 430.598 4.185 5 20 IIBD COCCOc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cc1F 749577101 SWRCUSXISNNCCA-UHFFFAOYSA-N 447.644 4.427 5 20 IIBD O=C(Nc1nc2ccccc2nc1N1CCCC1)c1cc([N+](=O)[O-])ccc1Br 751074654 KKSKCXOZYRDGAT-UHFFFAOYSA-N 442.273 4.153 5 20 IIBD O=C(NCc1ccc(Oc2ccccc2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 751149116 BNVXDOZUCRVUOL-UHFFFAOYSA-N 433.464 4.154 5 20 IIBD O=C(Nc1cccc(F)c1)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 751271887 HZOYFLCTPZUDMB-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)c1cc([N+](=O)[O-])c(Br)cc1F 751690664 CQMRRHBUYWRBIZ-UHFFFAOYSA-N 440.265 4.439 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@](COC(=O)c2cc(F)cc([N+](=O)[O-])c2)(C(F)(F)F)C1 751885353 REEMPKKLDVJPQB-KRWDZBQOSA-N 436.358 4.080 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2ccccc2SC(=O)N(C)C)cc1[N+](=O)[O-] 753085432 UARYEMUDGBLIDP-UHFFFAOYSA-N 429.907 4.131 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]1C[C@@H](O)c1cccs1 754396868 GGMMDUWGJYADKC-IAQYHMDHSA-N 425.304 4.147 5 20 IIBD CC(C)(C)O[C@H](C(=O)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 754531795 VRWMTUWBLFHDBU-SFHVURJKSA-N 434.876 4.078 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 755837167 MOZIQGJNMHBJDC-ZRGWGRIASA-N 429.473 4.172 5 20 IIBD C[C@H](OC(=O)CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 756538183 TXNRXFLJWVJARQ-HNNXBMFYSA-N 426.469 4.327 5 20 IIBD C[C@@H](OC(=O)Cc1c(F)cccc1F)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 756633079 YXBCRVQGGVUXIQ-LLVKDONJSA-N 447.419 4.109 5 20 IIBD O=C(c1cn(Cc2cccc(F)c2)nn1)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 759366599 XTMCANUOSGUZIT-UHFFFAOYSA-N 429.839 4.084 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(NC[C@]3(Cc4ccc(F)cc4)CCC[C@H]3O)CC2)cc1 760035521 ANPKVQCJPGOHGR-DNQXCXABSA-N 427.520 4.066 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@H](c2nc(CCc3ccccc3Br)no2)C1 762181771 AKQJCEWGLIDVBB-KRWDZBQOSA-N 443.257 4.391 5 20 IIBD C[C@@H](OC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OC(C)(C)C 762779480 ABGFRUYHBPTNAJ-GFCCVEGCSA-N 448.859 4.388 5 20 IIBD COC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)OC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 763397213 FAEBJASUKPDRIF-SJKOYZFVSA-N 425.359 4.045 5 20 IIBD CCN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 764218167 XYRLMOHRCXLJOD-UHFFFAOYSA-N 436.795 4.208 5 20 IIBD CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1 766197959 HLTAMIJXWQGCJZ-SPLOXXLWSA-N 433.461 4.253 5 20 IIBD O=C(O[C@@H]1CCOC[C@H]1OCc1ccccc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 767013995 QGTPEWYIHXVTBT-WOJBJXKFSA-N 440.477 4.249 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCO[C@@H](c2cccc(Cl)c2)C1 768626382 YSSPEYTXHBIHKC-OAQYLSRUSA-N 429.904 4.452 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N1CCSCC1 770317731 KKQKBLQFKJHBMV-QGZVFWFLSA-N 436.331 4.086 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])OCc1ccc(Br)c([N+](=O)[O-])c1 773350187 BMMQYRLZMXLQAO-UHFFFAOYSA-N 427.232 4.101 5 20 IIBD COc1ccc(NC(=O)c2ccccc2NC(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 775179711 JNTGZOBAFFSCSN-MRXNPFEDSA-N 448.479 4.145 5 20 IIBD O=C(O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1cccc(Nc2ncccn2)c1 776132363 DHWFIOCIMOMBCR-OAQYLSRUSA-N 427.420 4.470 5 20 IIBD Cc1cccc(C(=O)O[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c1[N+](=O)[O-] 776355903 XWXQOJLNEJJXKR-KRWDZBQOSA-N 436.386 4.270 5 20 IIBD C[C@H](CC(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc(Cl)cc1 777217148 WSIFERZFCZTRLG-LLVKDONJSA-N 439.251 4.292 5 20 IIBD CC[C@H](C)n1nc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cc1C 777982133 POYVHLRUAPPAST-ZDUSSCGKSA-N 439.438 4.052 5 20 IIBD COc1ccc(C(=O)c2ccccc2C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 781293954 XWYCYCBFEWZEQH-UHFFFAOYSA-N 449.415 4.058 5 20 IIBD Cc1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)c(C)n1Cc1cccs1 781380304 INKTWVQWRRWYPB-UHFFFAOYSA-N 441.509 4.229 5 20 IIBD O=C(OCc1nnc2n1CCCC2)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 782060637 HCNJTJNXNGSSLA-UHFFFAOYSA-N 441.875 4.145 5 20 IIBD COC(=O)[C@@](C)(NCc1ccc([N+](=O)[O-])cc1Cl)c1cccc(Br)c1 782480331 AGUORRQWXJQPKN-KRWDZBQOSA-N 427.682 4.189 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 785590463 CZPXGCBPTHZMOW-UHFFFAOYSA-N 445.501 4.212 5 20 IIBD O=C(NCC1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1)OCc1ccccc1 785617571 NTJXXXBSOVGVEM-UHFFFAOYSA-N 446.891 4.419 5 20 IIBD C[C@H](OC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(=O)c1ccccc1Br 789041734 KPUIYRRTWFUKEF-LBPRGKRZSA-N 431.242 4.127 5 20 IIBD CCc1c(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1C1CCCC1 789261812 OKYJMAGQEZLUMN-ZDUSSCGKSA-N 425.445 4.437 5 20 IIBD C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 789648288 NFJXNOKKTFSUEX-RYUDHWBXSA-N 449.847 4.192 5 20 IIBD COC(=O)C[C@@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1ccc(SC)cc1 790647038 RSRVMGUKUUFOOV-MRXNPFEDSA-N 440.880 4.072 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 790953100 ZQBKOWAQJYEXTC-WDZFZDKYSA-N 433.430 4.361 5 20 IIBD CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cn1 792376926 HLAMTKKGIPYYJM-QFIPXVFZSA-N 437.500 4.196 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)c(C)c([N+](=O)[O-])c1 792626774 BFSOQWDNNORUIT-UHFFFAOYSA-N 429.429 4.289 5 20 IIBD COc1ccc(OC)c([C@H]2CCCN2C(=O)COc2cc(F)c([N+](=O)[O-])cc2Cl)c1 795246982 AKYKMTPEBAOKOT-MRXNPFEDSA-N 438.839 4.147 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)OCc2nccn2C(F)F)cc1[N+](=O)[O-] 797630139 KSXUZAKEDKCDSB-UHFFFAOYSA-N 447.419 4.496 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)OCc2c(Cl)cccc2Cl)cc1OC 797637990 SNAQNIJYBFELCN-UHFFFAOYSA-N 430.240 4.292 5 20 IIBD NC(=O)c1ccc(SCC(=O)Oc2ccc(SC(F)(F)F)cc2)c([N+](=O)[O-])c1 803077204 ISKGMWGTZLSBPX-UHFFFAOYSA-N 432.401 4.003 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N1CCCC[C@H]1c1ccccc1 810389338 FUVYIOQEEHRVBO-INIZCTEOSA-N 432.274 4.050 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)C1 810947161 DFAMBKWOHPVQHU-HNNXBMFYSA-N 437.924 4.357 5 20 IIBD COc1ccc(C(C)=O)cc1CC(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811219449 QRXADOYAJAHCCF-UHFFFAOYSA-N 426.450 4.215 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@](C(=O)Nc2cccc([N+](=O)[O-])c2Cl)(C(F)(F)F)C1 813246386 ATHOKIPJZFXVLO-MRXNPFEDSA-N 437.802 4.376 5 20 IIBD CC(=O)N(c1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1)[C@H]1C[C@@H]1C 819098406 GSFRIMRZNCBLJR-VOJFVSQTSA-N 426.429 4.133 5 20 IIBD COc1ccccc1NC(=O)[C@H](OC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(C)C 877872975 YSOZEPDMUZALMT-AUUYWEPGSA-N 432.498 4.291 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NC1(c2ccc(Br)cc2)CCCC1 917166055 YMGOIUNMQDNVGN-UHFFFAOYSA-N 443.301 4.293 5 20 IIBD O=C(NCCc1ccc(F)c(Br)c1)c1ccc(Br)c([N+](=O)[O-])c1 917818831 FZGNDHMPVZLICT-UHFFFAOYSA-N 446.070 4.231 5 20 IIBD COc1cc([C@H](C)NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])ccc1OC1CCCC1 918194131 SNOJRYNAMIQDNE-ZDUSSCGKSA-N 438.477 4.103 5 20 IIBD O=C(COC1CCCC1)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 919385945 ABRLIMWFVMSBQB-HXUWFJFHSA-N 432.860 4.430 5 20 IIBD Cc1nn(C)c(C(=O)O[C@H](C)C(=O)N2c3ccccc3Sc3ccccc32)c1[N+](=O)[O-] 920659653 RJRZVPZBYNWQNQ-CYBMUJFWSA-N 438.465 4.012 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3cccc(CN4CCCC4)c3)cc2)c(C)c1[N+](=O)[O-] 1115839527 LEXWCMIGOLHERZ-UHFFFAOYSA-N 433.512 4.305 5 20 IIBD COc1ccc(-c2cc(NC(=O)[C@@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)ccc2OC)cc1 1116522530 OWEOAJYSZOYAFW-QHCPKHFHSA-N 447.447 4.411 5 20 IIBD O=C(OCc1csc(C(F)(F)F)n1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 1116814650 OMBYZSSBHKGXOL-UHFFFAOYSA-N 430.282 4.368 5 20 IIBD COc1ccc(-c2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3OC)ccc2OC)cc1 1317894389 ZQDRMEVFGKMAAZ-UHFFFAOYSA-N 444.465 4.088 5 20 IIBD Cc1cc(C(=O)OCC(=O)N(CC(F)(F)F)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1 1317998186 FRFNVNVQUGFUMI-UHFFFAOYSA-N 430.766 4.309 5 20 IIBD Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)c(Cl)c1Cl 1323079003 BRZSBRBZPBESQO-JTQLQIEISA-N 426.231 4.341 5 20 IIBD C[C@H](C(=O)NC1(c2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)cc2)CCC1)n1cccc1 1785795693 XIDYQARNJKXBDF-GOSISDBHSA-N 446.507 4.334 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21)c1ccc([N+](=O)[O-])o1 1797868243 OBFYSPRLQIQYNM-RPVYPSMYSA-N 429.517 4.046 5 20 IIBD CCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 1801654966 KXZSUSMIJJFIDL-MUJYYYPQSA-N 429.542 4.498 5 20 IIBD Cc1cccc(Cl)c1C(=O)N1CCCC12CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])C2 1845388081 ZXHRYGPHXVCMDH-ZHACJKMWSA-N 439.899 4.087 5 20 IIBD C[C@H](NC(=O)COC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1Cl 10722979 BOAOUURWOGWKPE-INIZCTEOSA-N 448.906 4.229 5 20 IIBD Cc1sc2nc([C@H](C)OC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)[nH]c(=O)c2c1C 10734031 NGEXPVQFRUSAGD-LBPRGKRZSA-N 442.497 4.028 5 20 IIBD Cc1cccc(-c2nnc([C@H](C)OC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)o2)c1 17727221 UOPDRIHGPSWIIG-INIZCTEOSA-N 436.468 4.474 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2sc3cccc(F)c3c2C)c([N+](=O)[O-])c1 18458040 IVKYDLMEAZTJAT-LLVKDONJSA-N 432.429 4.450 5 20 IIBD O=c1c2c3c(sc2nc(Sc2ccc([N+](=O)[O-])cn2)n1Cc1ccco1)CCCC3 23610558 VJMBHOVJCNMDRV-UHFFFAOYSA-N 440.506 4.433 5 20 IIBD C[C@H](OC(=O)c1ccc(COc2ccc(F)cc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 25113867 QGNZGCLHVAOOEV-ZDUSSCGKSA-N 428.372 4.090 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1nc(-c2cccc(F)c2)cs1 25322663 WVXGWPNWNMCNTM-UHFFFAOYSA-N 442.428 4.184 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)cccc1[N+](=O)[O-] 27038339 MFPSQAPNPNLNTE-AWEZNQCLSA-N 443.456 4.434 5 20 IIBD C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 31384755 YGCTWNHHHIPXPA-MGPUTAFESA-N 431.514 4.046 5 20 IIBD COc1ccc(CSCC(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)cc1[N+](=O)[O-] 61230283 KVUXGHXMGZOBHS-SFHVURJKSA-N 440.525 4.385 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(CN3CCC[C@@H](C)C3)cc2)cc1SC 97548850 SXTKPNILMNGJEJ-MRXNPFEDSA-N 443.569 4.487 5 20 IIBD CCOCCCn1c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)nc2ccccc21 110863876 SVXKEBVUXGYPKU-UHFFFAOYSA-N 437.500 4.224 5 20 IIBD Cc1ccc([C@@H](CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])N2CCCC2)o1 116592920 FGHCOYUSPWPYCH-QGZVFWFLSA-N 441.406 4.004 5 20 IIBD COc1ccc(CN[C@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)cc1[N+](=O)[O-] 237355395 QKUWCNQYUQCFCW-HSZRJFAPSA-N 440.521 4.195 5 20 IIBD Cc1cc(Oc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)ccc1[N+](=O)[O-] 301087803 YKBMDDVFMUQOAG-UHFFFAOYSA-N 426.738 4.309 5 20 IIBD CNS(=O)(=O)c1ccc(N[C@@H](c2ccc(Cl)cc2)c2ccsc2)c([N+](=O)[O-])c1 301305171 ZOVYMMJOUHQMMZ-SFHVURJKSA-N 437.930 4.419 5 20 IIBD Cc1occc1C(=O)Nc1cc(Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])ccc1F 302176086 MUYZNFGEMPWFAE-UHFFFAOYSA-N 439.446 4.096 5 20 IIBD Cc1cc(N2CCC(O)(c3c(F)cccc3F)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 302472105 WDZREDKHIHDVLZ-UHFFFAOYSA-N 426.423 4.126 5 20 IIBD Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3C(=O)c3ccccc3)cn2)n1 302942558 LOOPMEHWSLNONI-UHFFFAOYSA-N 441.447 4.276 5 20 IIBD O=C(c1cccc(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1)N1CCc2ccccc21 303033832 QIYBSPGJQDZWHV-UHFFFAOYSA-N 441.447 4.460 5 20 IIBD Cc1ccc(CN(C(C)C)S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])s1 303213645 SKAKJQVNWQTRMC-UHFFFAOYSA-N 433.349 4.327 5 20 IIBD O=C([C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1CCC[C@@H](c2ccccc2)CC1 303516975 PMBKDLZFJNHHIY-MSOLQXFVSA-N 427.526 4.057 5 20 IIBD CCCN(C(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)[C@H]1C[C@H](OCC)C12CCCC2 303841515 NAEQGEYJPBLXON-PMACEKPBSA-N 427.501 4.439 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cccc4c(=O)n(C)ccc34)cc2[N+](=O)[O-])C1 410351497 FNEPECKKHWAAPH-IYBDPMFKSA-N 434.496 4.181 5 20 IIBD Cc1cccc(CN(CCN(C)C)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 426271946 SEPMFSINPFSBKO-UHFFFAOYSA-N 438.450 4.195 5 20 IIBD Cc1cnc([C@H](C)NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)s1 427042018 WUFGJTYORWYQOV-VIFPVBQESA-N 426.285 4.343 5 20 IIBD CCS(=O)(=O)c1ccc(N2CCC(Nc3ccnc4c([N+](=O)[O-])cccc34)CC2)cc1 432339295 SLNVKMKHQYIIDO-UHFFFAOYSA-N 440.525 4.018 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N1CCC(CO)CC1 434627891 NWXLBTZUZUTLRN-QGOAFFKASA-N 437.521 4.366 5 20 IIBD C[C@H](COc1cccc(F)c1)NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436143660 XOUHQIYCJKRIKA-GFCCVEGCSA-N 426.394 4.296 5 20 IIBD O=C(c1ccc(I)c(F)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437130149 XUZSLXUNJYWNGO-UHFFFAOYSA-N 440.212 4.143 5 20 IIBD O=C(NCc1ccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1)c1cccs1 437489464 HORWSYGDEGVHCZ-UHFFFAOYSA-N 435.505 4.391 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1ccc(C(F)(F)F)cc1)C(C)C 439446740 ZXCMNGRDFYFBIQ-KRWDZBQOSA-N 439.390 4.074 5 20 IIBD Cc1cc(N2CCNC2=O)ccc1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 441495882 CIPBQSNMUDLMAA-UHFFFAOYSA-N 446.463 4.264 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(Oc2cccc(CNC(=O)Nc3ccccc3)c2)s1 443973420 ZYAAVUGGJYQMRM-UHFFFAOYSA-N 447.494 4.174 5 20 IIBD CN(C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccc(OCCN2CCCC2)cc1 444251033 PQWRBDLRFLLECS-UHFFFAOYSA-N 441.531 4.433 5 20 IIBD COc1cc([C@H](C)NC(=O)CCc2cccc([N+](=O)[O-])c2)ccc1OCc1ccncc1 445820289 GJFXLGMECXWCNB-KRWDZBQOSA-N 435.480 4.387 5 20 IIBD CCc1cc(N2CCC[C@H](Nc3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])C2)ncn1 447666673 BMFKARQUUWCBME-LBPRGKRZSA-N 446.380 4.077 5 20 IIBD CC(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H]1c1noc(C(C)C)n1 460584613 ROZMRDGJGUPMKY-KRWDZBQOSA-N 425.493 4.357 5 20 IIBD Cc1cc(=NC(=O)c2ccccc2OCc2csc(C)n2)c2cc([N+](=O)[O-])ccc2[nH]1 462576544 GGPITPFEJIUFAN-UHFFFAOYSA-N 434.477 4.470 5 20 IIBD O=C(NCC1(c2ccc(F)cc2)CCOCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 463150241 WJVSMRYARSFMGE-UHFFFAOYSA-N 426.366 4.231 5 20 IIBD C[C@H](C[S@@](C)=O)N(C)C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 468287077 IFSWXCCVKFVCCC-KHXSAUHESA-N 426.947 4.238 5 20 IIBD CCOc1ccccc1[C@H](CC(C)C)NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 470244549 ADMFATDXLDEEFP-KRWDZBQOSA-N 447.919 4.280 5 20 IIBD Cc1ccc([C@@H]2OCCC[C@@H]2Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)cc1 470882474 ZOKRFWVMBNAODQ-UNMCSNQZSA-N 445.541 4.020 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 470902536 XDWQHHQJXGGLSK-UHFFFAOYSA-N 437.427 4.315 5 20 IIBD C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 472506472 WTJPWKMGVJRANX-HUUCEWRRSA-N 446.345 4.244 5 20 IIBD CSc1ccc(C(=O)N2CC[C@@]3(CCCN(Cc4ccccc4)C3)C2)cc1[N+](=O)[O-] 473509878 YLHIEVAELODTJT-HSZRJFAPSA-N 425.554 4.445 5 20 IIBD CCN(Cc1nc(O)c2ccccc2n1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 475200403 ZRMQSZTZAJVPKF-UHFFFAOYSA-N 435.362 4.316 5 20 IIBD O=C(NC1CCCCC1)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 475232555 JLUOJUTVDWMPPN-UHFFFAOYSA-N 442.438 4.306 5 20 IIBD O=C(Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1)c1cc(O)cc([N+](=O)[O-])c1 476939377 KJKZRXZMLURYJT-UHFFFAOYSA-N 431.857 4.198 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2CN2C[C@H](C)O[C@H](C)C2)cc1SC 482836631 DXINLQMIVRRCCR-GASCZTMLSA-N 445.541 4.187 5 20 IIBD O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 482958370 CIYXXDAJRTZIRC-IBGZPJMESA-N 429.448 4.488 5 20 IIBD Cc1ccc(-c2noc([C@H](C)NCc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)n2)cc1F 483660051 VFCPZVZJDASCMO-AWEZNQCLSA-N 436.447 4.344 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C2(c3ccccc3)CCCC2)cc1OC 484383027 UTSQPJFJVMEEIJ-KRWDZBQOSA-N 442.512 4.259 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(OC3CCCC3)c(OC)c2)c(C)c([N+](=O)[O-])c1 485937659 DWHGSKDBGORCII-UHFFFAOYSA-N 428.441 4.272 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(Br)c2c(c1)OCO2 485944416 LCRVTOZVCIIWOI-UHFFFAOYSA-N 439.287 4.128 5 20 IIBD O=C(CN(Cc1cccnc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1 486171445 GJGLHWJSHZFAQS-UHFFFAOYSA-N 442.834 4.063 5 20 IIBD CSc1cccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C)cc2C)c1[N+](=O)[O-] 486245808 YFXBHZIQCXUVHF-MRXNPFEDSA-N 431.539 4.087 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(=Cc3cccc(F)c3)CC2)cc1OC 486281077 OJYOLJOXTQUOKN-UHFFFAOYSA-N 444.459 4.087 5 20 IIBD O=C(CCCOc1cccc(Cl)c1Cl)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 487052784 KATDNNLKNGBKPF-UHFFFAOYSA-N 427.288 4.121 5 20 IIBD Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)ccc1Oc1ccncc1 489363978 QLQKHBMMKQGDOT-UHFFFAOYSA-N 434.452 4.179 5 20 IIBD COc1cc(OC)c2cc(CCCNC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])[nH]c2c1 489590651 ZXLRWVMHGKBREW-UHFFFAOYSA-N 440.500 4.260 5 20 IIBD Cc1nc2[nH]c(S[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])nc2cc1Br 489834768 QRBSCJJAPDLRRT-VIFPVBQESA-N 436.291 4.056 5 20 IIBD O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1 497919510 NBNTXIZRQSDMEC-UHFFFAOYSA-N 435.455 4.275 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC(n2ccc(C(F)(F)F)n2)CC1 498369096 JIRRWEANNKBUPG-UHFFFAOYSA-N 436.312 4.306 5 20 IIBD Cc1nnc(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1C1CC1 499136774 SAFFHYUWIYDDAK-UHFFFAOYSA-N 427.848 4.205 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H](Oc2ccccc2Cl)C1 502255623 NEIHZGAJQBBUMS-CQSZACIVSA-N 439.693 4.233 5 20 IIBD C[C@](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)(C(N)=O)c1ccccc1 502777053 LFRXFWPBGJSALH-JOCHJYFZSA-N 439.855 4.171 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3cccc(N4CCCCC4=O)c3)cc2)c(C)c1[N+](=O)[O-] 505983027 VLGQBEJXDKYGRE-UHFFFAOYSA-N 447.495 4.226 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](c2c[nH]c3ccccc23)C(F)(F)F)c(Cl)c1 508111378 JKWFFOJFLBUXQL-HNNXBMFYSA-N 433.795 4.311 5 20 IIBD CC(C)N1CCC(NC(=O)CSc2nc3ccccc3c3nc4ccccc4n23)CC1 511006506 BPEIFLRERAMZOG-UHFFFAOYSA-N 433.581 4.117 5 20 IIBD COC[C@H](CNC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OC 512114341 OVMUBYIFNFVXCR-ZDUSSCGKSA-N 444.431 4.156 5 20 IIBD COc1cc(C(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)cc([N+](=O)[O-])c1OC 513890708 RUKPQKZDBRKUIJ-CQSZACIVSA-N 434.876 4.197 5 20 IIBD O=C(Nc1cccc(Oc2cnccn2)c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 514423917 OPBCYZDIUUSVOC-UHFFFAOYSA-N 434.330 4.371 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 515692994 LWSACXWAPKZJIW-UHFFFAOYSA-N 426.454 4.348 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cccc(OCc3cccc(F)c3)c2)c([N+](=O)[O-])c1 515699521 NJVFWFMEGVFZLF-UHFFFAOYSA-N 432.429 4.122 5 20 IIBD COc1cc(C(=O)N[C@@H]2CCc3c(C)cccc32)c([N+](=O)[O-])cc1OCc1cscn1 520522680 RHBUXGTWJOLNHO-GOSISDBHSA-N 439.493 4.365 5 20 IIBD CC(C)n1c(CCNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])nc2ccccc21 522925864 MOZAKDBAMBRXQM-CQSZACIVSA-N 430.892 4.305 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNc1cc(Cl)ccc1C(=O)N1CCCC[C@@H]1CCO 522980358 ZRZRXSUAZMEVJO-QGZVFWFLSA-N 447.919 4.246 5 20 IIBD CN1C(=O)CC[C@@H](C(=O)N2CCc3c2cccc3[N+](=O)[O-])[C@H]1c1ccc(C(F)(F)F)cc1 523164395 WTTBQSVAWXUCBX-OXQOHEQNSA-N 447.413 4.112 5 20 IIBD COc1ccc(CC[C@H]2CCCCN2C(=O)COc2ccc([N+](=O)[O-])cc2)cc1OC 523173807 FBQHAERJNYVAFU-GOSISDBHSA-N 428.485 4.005 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 523899436 VXNMYPAIYUKXDN-MRXNPFEDSA-N 425.489 4.042 5 20 IIBD COc1ccc(C(=O)NCC(=O)Nc2ccc(CCCc3ccccc3)cc2)cc1[N+](=O)[O-] 524001115 JLIWSJKLBYITBM-UHFFFAOYSA-N 447.491 4.147 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N[C@H]3CCN(c4ncccc4F)C3)c([N+](=O)[O-])c2)cc1 531777899 KBXKSPBRVQGUOW-SFHVURJKSA-N 435.459 4.380 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]1c1ccc(Br)cc1 532565548 CQFPZFGBNNTJGP-QGZVFWFLSA-N 434.290 4.142 5 20 IIBD O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 534247569 ZWZPJFBJNDNBLV-UHFFFAOYSA-N 446.507 4.120 5 20 IIBD CC[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H](c1ccc(C)cc1)n1cncn1 535220429 OZNKSQMJKUUKJJ-HKUYNNGSSA-N 447.417 4.312 5 20 IIBD Cc1ccc(C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c(Br)c1 535860759 LGXVTBULXBJYHV-QGZVFWFLSA-N 449.301 4.479 5 20 IIBD O=C(CSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)NCCc1c(F)cccc1F 536302152 LRIDYDMZKNOYGM-UHFFFAOYSA-N 433.436 4.120 5 20 IIBD Cc1ccc(NC(=O)[C@@H](Sc2nnc(C(F)F)n2C)c2ccccc2)c([N+](=O)[O-])c1 541173953 UCQCHXDWCTYKMN-HNNXBMFYSA-N 433.440 4.441 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 541706317 SPEDXPPCHFHGAG-GUYCJALGSA-N 425.363 4.377 5 20 IIBD COc1ccccc1-c1ccc([C@@H](C)NC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 542964991 SANGVBFGQKXJTO-QGZVFWFLSA-N 447.491 4.186 5 20 IIBD COC(=O)c1ccc(Br)c(C)c1NC(=O)CSc1ccccc1[N+](=O)[O-] 544042551 NLTRHGVNPBVGMC-UHFFFAOYSA-N 439.287 4.183 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 544750315 SCSQWKNGAHKZEF-CVOKNGKCSA-N 434.517 4.312 5 20 IIBD CCOC(=O)c1cc(-c2nc(-c3cc(Cl)ccc3OCCOC)no2)cc([N+](=O)[O-])c1 546466471 CAHPNDKUXJEFRB-UHFFFAOYSA-N 447.831 4.167 5 20 IIBD Cc1cc(Cc2noc(-c3cnc(Sc4nccn4C)c(Cl)c3)n2)ccc1[N+](=O)[O-] 546493959 IOSDDKFBNSUMEV-UHFFFAOYSA-N 442.888 4.477 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccc3c(c2)nc(CC)n3C2CC2)cc1OC 549019840 XGVUOULAQSXUFC-UHFFFAOYSA-N 438.484 4.179 5 20 IIBD CC[C@@H]1CN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C[C@@H]1O 551467919 UQUSEXAXXFAJEY-WBMJQRKESA-N 429.523 4.199 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2 551695581 UENGCZMBRYPZEP-UHFFFAOYSA-N 441.843 4.133 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](Oc2ccccc2OC)C1 553258679 BKZYDCYKVCTZGH-KRWDZBQOSA-N 446.525 4.026 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 553674508 JAHHJQXWSKEEGK-INIZCTEOSA-N 449.294 4.402 5 20 IIBD COc1cc(C(=O)N2CC[C@]3(CCN(C)C3)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 558037185 YKFMEPRPMJCAKC-QFIPXVFZSA-N 445.903 4.217 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3nc(-n4nc(C)cc4C)ccc3Cl)n2)c1 571363651 XYVREYQDEWRACT-UHFFFAOYSA-N 440.847 4.095 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 571368886 ODQGIXYTYQZYAC-MRXNPFEDSA-N 427.354 4.045 5 20 IIBD COCC1(c2noc([C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)CCCCC1 577667039 XCSLDYNMEODVKB-SFHVURJKSA-N 428.489 4.112 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3cccc4ncccc34)no2)c(I)c1 585731357 ARIMGTYNGAIOKV-UHFFFAOYSA-N 444.188 4.465 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3nc(-c4ccccc4Cl)sc3C2)cc1 588901553 ISZRPUFTZCNHBW-UHFFFAOYSA-N 435.914 4.119 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(N(C(C)=O)[C@H]3C[C@H]3C)cc2)c([N+](=O)[O-])cc1OC 590530143 OBPNZKHLNSOMGS-ACJLOTCBSA-N 427.457 4.016 5 20 IIBD CCS(=O)(=O)c1ccccc1NC(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 603571891 AZRAKCUQVBSNRD-IYBDPMFKSA-N 445.541 4.123 5 20 IIBD O=C(CN1C(=O)[C@@H](c2cccs2)N(Cc2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 603677865 GPVXEUTWUYNISM-HXUWFJFHSA-N 435.461 4.045 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)N3CCN(c4ccc5ncccc5c4[N+](=O)[O-])CC3)n2)cc1 603849538 CKAAKCZZKZJWHT-QGZVFWFLSA-N 444.495 4.385 5 20 IIBD CNS(=O)(=O)c1ccc(N[C@@H](c2ccc(F)cc2)c2ccccc2Cl)c([N+](=O)[O-])c1 603867456 SFLPRAGFSCJMGS-FQEVSTJZSA-N 449.891 4.497 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1ccc(Br)cc1Cl 608940464 FXIKJFKZMGWVEI-UHFFFAOYSA-N 427.638 4.059 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 608963724 XACFGABFOLUYTG-OAQYLSRUSA-N 447.894 4.204 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)cc1SC 609129258 JWERYOCOOXLTDU-CYBMUJFWSA-N 435.933 4.235 5 20 IIBD CCc1sc(NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)nc1-c1ccc(OC)cc1 609175767 BBZVICPYCONKNY-UHFFFAOYSA-N 427.482 4.479 5 20 IIBD Cc1cc(C)nc(Sc2ccc(NS(=O)(=O)c3c(F)cccc3[N+](=O)[O-])cc2)n1 609218700 HGHRJQCRRHWOAA-UHFFFAOYSA-N 434.474 4.093 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCCCc2ccc(C(C)C)cc2)ccc1[N+](=O)[O-] 609726384 IHOADULZBOXIMR-QHCPKHFHSA-N 437.540 4.380 5 20 IIBD O=C([C@@H]1CSc2ccccc21)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 609814074 XYSAICFGGILXME-OAHLLOKOSA-N 437.443 4.152 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)Cc1c[nH]c2ccc(Cl)cc12)c1ccccc1[N+](=O)[O-] 610038272 KXFQUCPLRMJLDD-IBGZPJMESA-N 443.887 4.471 5 20 IIBD COc1ccc([C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2Cl)cc1 610104519 AAAFRMLOAWTQTF-FQEVSTJZSA-N 439.855 4.101 5 20 IIBD COc1ccc([C@H](CC(=O)O)NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1 610841575 SSOQYCMJIQUWQF-NRFANRHFSA-N 449.463 4.161 5 20 IIBD O=C(Nc1ccc2c(cnn2C(F)F)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 610963341 KULNEIGBFXCRTN-UHFFFAOYSA-N 431.399 4.415 5 20 IIBD Cc1cccc(OC[C@@H](O)CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)c1 611202143 CXIKVJRMFXQJFP-KRWDZBQOSA-N 430.526 4.108 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)Nc2cnc3c(c2)COCC3)cc1[N+](=O)[O-] 611476203 CAJNCHKVSYLEHR-UHFFFAOYSA-N 449.488 4.268 5 20 IIBD CCOc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2I)ccc1C 727341709 UZDKVJQFLJTAGG-UHFFFAOYSA-N 426.210 4.159 5 20 IIBD Cc1sc2ncn(CC(=O)N(CC3CC3)c3ccc(Cl)c([N+](=O)[O-])c3)c(=O)c2c1C 728166669 LFEPRBRNBKQEAL-UHFFFAOYSA-N 446.916 4.080 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc2[nH]c(/C(Cl)=C/c3csc([N+](=O)[O-])c3)nc2c1 728438906 BOXCBXZCGIVLIK-QPEQYQDCSA-N 440.934 4.300 5 20 IIBD Cc1cc(C(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)c(C)n1CC(F)(F)F 729192389 HRYRINHFYCXXBI-UHFFFAOYSA-N 440.422 4.044 5 20 IIBD C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 729661110 ZFQUCPLAPRELEL-JKSUJKDBSA-N 432.498 4.076 5 20 IIBD C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 731035727 XIRAWWISAVUTKG-RBZFPXEDSA-N 435.883 4.160 5 20 IIBD COc1ccc(N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1NC(=O)OC(C)(C)C 731496194 DZJQKHLPVLMGNV-QGZVFWFLSA-N 442.472 4.168 5 20 IIBD C[C@@H](Nc1ccc(C(=O)O[C@H]2CCN(c3ccccc3)C2=O)cc1[N+](=O)[O-])c1ccccn1 731717795 YQHKMQLZCSBYOB-ZHRRBRCNSA-N 446.463 4.125 5 20 IIBD CN(CCc1ccccc1)C(=O)c1ccccc1N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 732096084 BMLZNIWZOOUWGY-UHFFFAOYSA-N 435.455 4.325 5 20 IIBD C[C@](O)(CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccc(F)cc1F 734020357 NCZOPQCRRBIRLW-QHCPKHFHSA-N 441.434 4.123 5 20 IIBD CN1C(=O)C[C@@H](COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc(Cl)c1 740563037 VNDBJACHARSIJU-MGPUTAFESA-N 430.888 4.289 5 20 IIBD C[C@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])[C@H](NC(=O)OC(C)(C)C)c1ccccc1 742694451 RHBCDSBPVFMVEO-YWZLYKJASA-N 425.485 4.386 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@H](C)c3cccc(OC)c3)CC2)ccc1[N+](=O)[O-] 744203417 ITECQLPSRXJSMA-MRXNPFEDSA-N 428.485 4.318 5 20 IIBD CO[C@](C)(C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccccc1 744977939 ZILYSGLIBFNZKL-BUXKBTBVSA-N 440.374 4.046 5 20 IIBD C[C@H](C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)s1 745641759 WWUNFTQKPKZKQP-QMMMGPOBSA-N 447.694 4.358 5 20 IIBD O=C1CC2(CCCCC2)Oc2cc(OS(=O)(=O)c3c(F)cccc3[N+](=O)[O-])ccc21 746180313 LZSDFCMAVSINJI-UHFFFAOYSA-N 435.429 4.170 5 20 IIBD C[C@H](Nc1ccc(C(=O)OCC(=O)c2ccc3c(c2)COC3)cc1[N+](=O)[O-])c1ccccn1 746584284 XPHUMXHXJLQWHB-HNNXBMFYSA-N 447.447 4.233 5 20 IIBD O=C(NCc1ccc(NC(=O)C(F)(F)F)cc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 746836158 TUVYKMBFGFFPRR-UHFFFAOYSA-N 435.280 4.044 5 20 IIBD CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] 750230915 QMKBLYVRZKZBQF-UHFFFAOYSA-N 433.411 4.150 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(NC(=O)OC(C)(C)C)nc2)cc1[N+](=O)[O-] 752195975 PITAFHXDYSEITQ-UHFFFAOYSA-N 442.881 4.099 5 20 IIBD C[C@H]1CN(c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2Br)C[C@@H](C)O1 753800729 NLFCGAZJCOGUIX-BETUJISGSA-N 434.290 4.223 5 20 IIBD CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1ccc(OC)c(OC)c1 754979709 CGQZJGCEFYKPHF-UHFFFAOYSA-N 427.226 4.180 5 20 IIBD CCOCCOCc1cccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c1 754992108 WGMAZKXNCFIRJT-UHFFFAOYSA-N 441.253 4.302 5 20 IIBD CC[C@@H]1CC[C@@H](C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)O1 757120876 AALDJTHTHQUUEQ-AYOQOUSVSA-N 432.860 4.429 5 20 IIBD COc1ccc(-c2cncc(C(=O)O[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)c2)cc1 758102037 UUTAXKUHLAARAA-OAHLLOKOSA-N 435.436 4.158 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)c(N)c(Cl)c1 762957060 ADCDYSXEHBZYFI-UHFFFAOYSA-N 444.296 4.391 5 20 IIBD CN(C)c1cc(COC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccn1 763286850 KMLWGNJXQBCCTH-UHFFFAOYSA-N 439.855 4.297 5 20 IIBD C[C@H](NC(=O)COC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 763408511 RYGSGSHEOXMWLH-RYUDHWBXSA-N 425.268 4.426 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)OC1CCN(C(=O)c2ccccc2F)CC1 764642054 QWEGPQWQQNXBBQ-UHFFFAOYSA-N 432.473 4.308 5 20 IIBD CCCN(Cn1nc(-c2ccc([N+](=O)[O-])cc2)n(CC)c1=S)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 765032545 XBPPLEKEVSHBED-IPMKNSEASA-N 445.589 4.492 5 20 IIBD O=C(O[C@@H](C(=O)NCc1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])c2cccnc12 766230209 FLHBOUJDEOOXLC-HSZRJFAPSA-N 441.443 4.358 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)O[C@@H]2CCc3sc(Cl)cc32)cc1[N+](=O)[O-] 766540321 PBCFVBCNODJCNG-GFCCVEGCSA-N 436.902 4.434 5 20 IIBD O=[N+]([O-])c1ccc2nc(Sc3ccc(CN4CC[C@H](CO)C4)cc3[N+](=O)[O-])sc2c1 769242819 LOIRZKKNLZHZGD-ZDUSSCGKSA-N 446.510 4.078 5 20 IIBD CC(C)S(=O)(=O)c1cccc(C(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)c1 769912886 XVXMABRNTKNMQV-UHFFFAOYSA-N 436.917 4.487 5 20 IIBD C[C@@H](C[C@@H](O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 771917518 QFVJVWDZSWLLMQ-KSFYIVLOSA-N 441.509 4.320 5 20 IIBD C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 772864294 QFMWYLJHHISNCI-QZTJIDSGSA-N 449.551 4.011 5 20 IIBD O=C(CCC(=O)c1ccc2c(c1)OCCO2)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776132448 FBMJAUQODLYBJP-XMMPIXPASA-N 448.431 4.057 5 20 IIBD CSc1cccc(C(=O)OCC(=O)Nc2ccc(N3CCCCCC3)cc2)c1[N+](=O)[O-] 777075194 SXDXMAJJJNPWAS-UHFFFAOYSA-N 443.525 4.493 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(CCc1ccccn1)Cc1ccc(F)cc1 777990061 SLPSJYPMIVKHFE-UHFFFAOYSA-N 447.463 4.010 5 20 IIBD Cc1occc1C(=O)Nc1nc(CC(=O)OCc2ccc([N+](=O)[O-])cc2Cl)cs1 778093697 OFPQCCHBDUCJAH-UHFFFAOYSA-N 435.845 4.144 5 20 IIBD CCCN(C(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])c2nsnc2c1)C(C)C 778390309 NRQRLJVQXHGPCS-UHFFFAOYSA-N 427.486 4.112 5 20 IIBD CCN(Cc1cccc(Br)c1)C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781603761 DKLDGGQSERTMCP-UHFFFAOYSA-N 436.262 4.247 5 20 IIBD COc1ccc(-c2ccc(CNC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])s2)cc1 781694312 WWVFAYCDXJFVEC-UHFFFAOYSA-N 441.465 4.489 5 20 IIBD Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)n1 781988953 CFRUKTWMILSLKF-MRXNPFEDSA-N 437.456 4.116 5 20 IIBD COC(=O)Nc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1F 783635699 ZKARVZVCIWWNTN-UHFFFAOYSA-N 430.161 4.066 5 20 IIBD COc1ccc([C@@H](C)N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(Br)cc2C)cc1 790007576 DDDSBZDJJHGWPT-GFCCVEGCSA-N 443.319 4.056 5 20 IIBD C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 790207571 SYKITFKLNSWSGA-AWEZNQCLSA-N 447.875 4.193 5 20 IIBD O=C(N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)C(F)(F)c1ccc([N+](=O)[O-])cc1 794342992 ALKNNUUOBGHAMJ-AWEZNQCLSA-N 438.736 4.209 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCC[C@@H]1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 796973618 QPIRGVWRMZELER-VUCTXSBTSA-N 447.454 4.022 5 20 IIBD Cc1cc(OCC(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] 797495929 VHZOMYMVBWBZEB-LLVKDONJSA-N 427.240 4.159 5 20 IIBD CS(=O)(=O)C1(COC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCC1 799699871 WAZXZKMCXVSDNO-UHFFFAOYSA-N 439.873 4.165 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 800150161 DNZPMAULEHXCJU-HUUCEWRRSA-N 443.475 4.463 5 20 IIBD Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 812989002 AYVRRKLGCCKTIN-OAHLLOKOSA-N 440.308 4.364 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCCN(C(=O)c2ccccc2)C1 815208553 UBGWGGHPNWYQCL-HNNXBMFYSA-N 436.386 4.209 5 20 IIBD COc1ccc([N+](=O)[O-])cc1OC(=O)[C@H](C)SCc1nc(O)c2c(C)c(C)sc2n1 899505047 GRCPYPBMGNJNFI-NSHDSACASA-N 449.510 4.158 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cnn(-c2ccccc2)c1C(F)(F)F 904996128 KFCIQVULLFRKEZ-UHFFFAOYSA-N 449.341 4.023 5 20 IIBD C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cc2c(cc1Br)OCCO2 917787763 LHFGCMMDEIGVFA-SECBINFHSA-N 441.665 4.273 5 20 IIBD CNc1ccc(C(=O)OCc2csc(N(C(C)=O)c3ccc(F)cc3)n2)cc1[N+](=O)[O-] 918825556 XDGOPWKZWLCNNP-UHFFFAOYSA-N 444.444 4.274 5 20 IIBD CN(c1ccccc1)c1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cn1 919214538 LFFRUGBKXUYLQK-UHFFFAOYSA-N 440.843 4.207 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC(=O)Nc1ccccc1C(C)(C)C 920778025 GQFRLQGSHBNBAO-ZDUSSCGKSA-N 434.876 4.495 5 20 IIBD CCOC(=O)c1ccn(-c2cccc(NC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)c2)n1 1116307751 RBPKNJKAMWHMRE-UHFFFAOYSA-N 449.467 4.154 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1)C2 1318912624 LFDLGYXBHWUVPS-HSZRJFAPSA-N 440.446 4.356 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCc1csc(C(F)(F)F)n1 1321737885 SHYQMDWXNLMBAK-UHFFFAOYSA-N 425.182 4.498 5 20 IIBD COc1ccc(-c2nc(CSCc3ccc(C(N)=O)cc3[N+](=O)[O-])cs2)cc1OC 1322537838 ZUYGGEXULQRKQH-UHFFFAOYSA-N 445.522 4.268 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2c2nnc(-c3ccc4ccccc4n3)o2)ccc1[N+](=O)[O-] 1341267562 KLRBFUWJDGVGHW-FQEVSTJZSA-N 429.436 4.479 5 20 IIBD COc1cc(N2CCC(OC(=O)c3ccc(Cn4cccc4)cc3)CC2)ccc1[N+](=O)[O-] 1341884936 GUGXBICQFSJURO-UHFFFAOYSA-N 435.480 4.279 5 20 IIBD O=C(COC1CCCCC1)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1 1786015549 KPGHPDLFDGEKAE-UHFFFAOYSA-N 440.500 4.020 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)NC1(c2ccc(NC(=O)c3ccncc3)cc2)CCC1 1787313146 MOVKDYSNHYEYSO-UHFFFAOYSA-N 446.463 4.065 5 20 IIBD Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cccnc4)CCC3)cc2)cc1[N+](=O)[O-] 1790525948 DUDUFXQFSVCKPZ-UHFFFAOYSA-N 444.491 4.289 5 20 IIBD CC1(C)CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)n[nH]2)C1 1821168565 NASSFEGIJUXIPK-GOSISDBHSA-N 443.479 4.199 5 20 IIBD O=C(c1cc(F)cc(F)c1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823614978 JABIZYDQGWGGIH-SFHVURJKSA-N 447.438 4.013 5 20 IIBD Cc1cc(C)c(C(=O)N2CC3(CCCN3C(=O)c3c(F)ccc([N+](=O)[O-])c3C)C2)c(C)c1 1845494106 MNLCWFXTQPJGFA-UHFFFAOYSA-N 439.487 4.098 5 20 IIBD CCC[C@H]1CC[C@H](C(=O)N2CC3(CCCN3C(=O)c3ccc([N+](=O)[O-])c(OC)c3)C2)CC1 1846874080 YVNBVDKVOOLKQM-IYARVYRRSA-N 443.544 4.027 5 20 IIBD CN(C(=O)COC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 11185447 IIECBJGYXNBGNZ-UHFFFAOYSA-N 446.459 4.431 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1OC 11418717 KBYMQEONASJIMA-UHFFFAOYSA-N 433.848 4.035 5 20 IIBD CN(C)C(=O)c1cccc(NC(=O)CNc2cc([N+](=O)[O-])ccc2Nc2ccccc2)c1 21381590 HQTPYHITTXVHCB-UHFFFAOYSA-N 433.468 4.091 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(Cc2csc(-c3ccccn3)n2)CC1 22007476 GWXDBOWTCWGGPQ-UHFFFAOYSA-N 449.458 4.454 5 20 IIBD O=C(N[C@H](c1ccccc1)c1ccc(Cl)cc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 22587785 CLVNYSOQMZNBIW-OAQYLSRUSA-N 433.855 4.348 5 20 IIBD O=C(NCCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)c1ccco1 31046234 FCOJSPGKBVSLFJ-UHFFFAOYSA-N 445.884 4.152 5 20 IIBD CCOc1cc(CN(C)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)ccc1OC(F)F 32170181 VRFFMQIMZBVGCZ-UHFFFAOYSA-N 446.410 4.053 5 20 IIBD COC(=O)CNC(=O)c1ccc(N2CCC(c3cccc4ccccc34)CC2)c([N+](=O)[O-])c1 58544780 VSBBSPWRHOCELQ-UHFFFAOYSA-N 447.491 4.035 5 20 IIBD COCCN(C(=O)CCc1ccccc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 60539149 SZASTLBHSSBMQR-UHFFFAOYSA-N 429.473 4.470 5 20 IIBD C[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C[C@@H](C)O1 72035344 BIBNWZGFWXUSBE-OPYAIIAOSA-N 438.528 4.052 5 20 IIBD CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 116161169 UOGYQOFLMFCWKN-WOJBJXKFSA-N 437.496 4.468 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)CC1 248125049 OKWXVIJEVMVGKM-GOSISDBHSA-N 448.527 4.245 5 20 IIBD O=C1CCCN1C[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 301425188 OUFWOTVQFHGAEF-CYBMUJFWSA-N 439.419 4.098 5 20 IIBD CS(=O)(=O)c1cccc(NCc2cccc(NC(=O)C3CCCCC3)c2)c1[N+](=O)[O-] 301899637 UAUAUBRKHQZITL-UHFFFAOYSA-N 431.514 4.129 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 303314372 PYCRKRXIBVEOFS-INIZCTEOSA-N 449.287 4.111 5 20 IIBD CC(C)n1c([C@@H]2CCCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc34)C2)nc2ccccc21 303577742 QHMGOWRWSVQEJP-OAHLLOKOSA-N 432.484 4.422 5 20 IIBD CC(C)(C)Nc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 410402202 AZQOGYUZJFOGJS-UHFFFAOYSA-N 428.308 4.369 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(CCO)[C@H]1CCCc2ccccc21 426272974 BXGQXFQIRJNQHZ-IBGZPJMESA-N 437.418 4.195 5 20 IIBD CN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 427412283 IJZNZIKJMOGTSP-NRFANRHFSA-N 448.870 4.086 5 20 IIBD CCNc1ccc(C(=O)N(C)[C@H](c2ccc(Cl)cc2)c2cnccn2)cc1[N+](=O)[O-] 427873722 OZQISERKQAZSNL-HXUWFJFHSA-N 425.876 4.332 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCCCO[C@H]1CCCc2ccccc21 428048749 ODSCDNCLZDWEHQ-NRFANRHFSA-N 435.480 4.122 5 20 IIBD Cc1ccc(C[C@H](NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c2ccccn2)cc1 432333833 HQMKFSPZYXPWKQ-NRFANRHFSA-N 442.475 4.325 5 20 IIBD CCc1cc(=NC(=O)c2c(OC)ccc(SC)c2OC)c2cc([N+](=O)[O-])ccc2[nH]1 432981823 AIHYDTQBOKLPNM-UHFFFAOYSA-N 427.482 4.119 5 20 IIBD Cc1nn(CCC(=O)N2CCc3ccccc3[C@H](c3ccccc3)[C@H]2C)c(C)c1[N+](=O)[O-] 435363700 VAQJCCMDNKXRHA-KOSHJBKYSA-N 432.524 4.404 5 20 IIBD COc1ccc(C2(CNC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CCOCC2)cc1 436140646 KFEWYXJGFQRDGH-UHFFFAOYSA-N 442.515 4.168 5 20 IIBD CN(C)C(=O)CC1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 442898073 ZMPUIYXDQUDYSO-UHFFFAOYSA-N 427.526 4.077 5 20 IIBD C[C@@H](Oc1cccnc1NC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccccc1 445177768 TWFLIGNWSLPLHC-CQSZACIVSA-N 432.440 4.328 5 20 IIBD C[C@H]1CN(c2cccc3cnccc23)CCN1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl 446191487 IQSKIHCNHCQKID-HNNXBMFYSA-N 439.903 4.217 5 20 IIBD CCCOCc1ccccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 447032072 ZTHZKGMMVJXNGB-UHFFFAOYSA-N 432.420 4.019 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C 447319778 ZUCDZKWMURHCDL-UHFFFAOYSA-N 433.390 4.431 5 20 IIBD Cc1ccc(CNC(=O)c2cccc(CN[C@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)c2)cc1 447552037 SHZXNDCKNNQMIW-XZOQPEGZSA-N 447.539 4.303 5 20 IIBD O=C1N[C@@]2(CCc3cc(Cl)ccc32)C(=O)N1Cc1ccc([N+](=O)[O-])cc1C(F)(F)F 448098143 UGNDTEWRIYZYDT-GOSISDBHSA-N 439.777 4.161 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@@](C)(CO)C2CCCCC2)cc1[N+](=O)[O-])c1ccccn1 460496854 MQTINOAXAGUJFG-HJPURHCSSA-N 426.517 4.224 5 20 IIBD Cc1nn(CCC(=O)N[C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)c(C)c1[N+](=O)[O-] 464243877 XWAGDILSDVBDRT-MRXNPFEDSA-N 443.504 4.255 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)cc1SC 464901578 HIBDMOLBELWVIO-MRXNPFEDSA-N 429.542 4.062 5 20 IIBD CC(C)CCOc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 465339778 VTHALDCDHCSYDK-QGZVFWFLSA-N 431.514 4.325 5 20 IIBD NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 466430072 BZTJZDRJLXZNKU-ZBFHGGJFSA-N 433.917 4.173 5 20 IIBD CCNc1ccc(C(=O)OCC)cc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 466457464 UVGSVUNFLNUBQT-UHFFFAOYSA-N 443.503 4.402 5 20 IIBD O=C(Nc1ccc(Cl)c(N2CCNC2=O)c1)c1c([N+](=O)[O-])cccc1C(F)(F)F 466528805 MCACMRLUNBAPID-UHFFFAOYSA-N 428.754 4.049 5 20 IIBD O=C(C[C@H]1CCCCCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 467066393 UMDKEQNPHNZRPV-CQSZACIVSA-N 426.878 4.048 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccc(Oc2ccccc2)cc1 467875349 CBIGOBTZDVOGCD-UHFFFAOYSA-N 425.828 4.295 5 20 IIBD CC[C@]1(C)CN(C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CCO1 468068593 KYJKQLLADMTNEF-JOCHJYFZSA-N 428.510 4.189 5 20 IIBD C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 470175696 RMAZFJDIJMHSPF-SFQUDFHCSA-N 425.504 4.474 5 20 IIBD C[C@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@H](c2ccsc2)O1 470630303 ZDMJROMLFJIJLX-LKFCYVNXSA-N 437.326 4.114 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@H]3CCCC[C@@H]3n3cccn3)cc2[N+](=O)[O-])C1 470655558 IWNSNKKDTQRKKJ-HNJRGHQBSA-N 425.533 4.187 5 20 IIBD C[C@@H](NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1ccccc1[N+](=O)[O-] 473640961 MPTXGEFZJIRQIK-ABAIWWIYSA-N 437.283 4.067 5 20 IIBD C[C@H](NC(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1)c1cccc([N+](=O)[O-])c1 473947509 FSVLPZMLCXAEHP-ZDUSSCGKSA-N 444.538 4.100 5 20 IIBD C[C@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1cc2cccc(F)c2o1 475071936 AVPCOQIYWPSPEQ-NSHDSACASA-N 441.444 4.251 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N(Cc1ccc2c(c1)OCO2)C1CCCCC1 476835414 RULIZDCJZPBFMJ-UHFFFAOYSA-N 448.479 4.484 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)s1 477138286 WNKQLKDULNCGND-SECBINFHSA-N 436.342 4.057 5 20 IIBD CC(C)c1ccccc1NC(=O)COc1ccc(I)cc1[N+](=O)[O-] 478904563 GSJCQKIZSVIEIO-UHFFFAOYSA-N 440.237 4.340 5 20 IIBD O=C(N[C@@H]1CCCOc2c(F)cccc21)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 480091518 DXLNNDFDAKUGBB-OAHLLOKOSA-N 428.338 4.319 5 20 IIBD CCc1c(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cnn1C(CC)CC 480245426 IPGQJHOLCUVSDR-UHFFFAOYSA-N 445.339 4.278 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)NC2(c3cc(C(F)(F)F)ccc3Cl)CC2)cc1 480786118 NQZSEKKEQIIPBT-UHFFFAOYSA-N 434.823 4.376 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCc2nc(C)c(-c3ccc(Cl)cc3)o2)c1C 481009742 QMJFVCXFXXZYIF-UHFFFAOYSA-N 435.889 4.307 5 20 IIBD COc1cc(CN[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F 481182087 OTEYLZSCNFXCGC-CRAIPNDOSA-N 435.471 4.205 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3cc(CN(C)C)ccn3)cc2[N+](=O)[O-])n1 482348133 GFSZKUKOSVSTGW-UHFFFAOYSA-N 429.527 4.220 5 20 IIBD CO[C@@H](C)C(=O)Nc1cccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 485745879 HVIJXOSWQAMMKX-INIZCTEOSA-N 449.463 4.400 5 20 IIBD CC(C)(C)OCc1cc(CN=c2c([N+](=O)[O-])c[nH]c3ccc(Br)cc23)no1 486047098 KJKRQZAFACFHHO-UHFFFAOYSA-N 435.278 4.243 5 20 IIBD O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 486174822 BDJPXHJLZNOVSC-UHFFFAOYSA-N 448.483 4.441 5 20 IIBD COc1cc(NC2CCN(C(=O)c3cccc(SC)c3[N+](=O)[O-])CC2)cc(OC)c1 486705726 BWSKUIVENVUIQF-UHFFFAOYSA-N 431.514 4.051 5 20 IIBD CS(=O)(=O)c1ccc(CNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 486831839 BZYMEHZLPMDXGZ-UHFFFAOYSA-N 442.518 4.080 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@@H](C)c2nc3ccccc3n2C(F)F)c(C)c([N+](=O)[O-])c1 486870856 WTDUVGNQQPCQQL-NSHDSACASA-N 447.398 4.317 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)cn2)ccc1[N+](=O)[O-] 487327246 VHDKEYCURIHTCW-OAQYLSRUSA-N 446.463 4.334 5 20 IIBD CC[C@H](NC(=O)N[C@H](C)c1c(C)nn(CC(F)(F)F)c1C)c1cccc([N+](=O)[O-])c1 488308286 UQXWASGIMREHSQ-BZNIZROVSA-N 427.427 4.482 5 20 IIBD CC1(C)CN(c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])[C@H]1c1cccnc1 488533988 QJCUHMKCHGVCKE-NRFANRHFSA-N 444.557 4.142 5 20 IIBD CCOC(=O)c1c(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)sc2ccccc12 488902384 PFQIIZJVRQZYEM-UHFFFAOYSA-N 443.485 4.052 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c(C)c([N+](=O)[O-])c1 489769633 AVUDVNOEUAYWAJ-UHFFFAOYSA-N 433.420 4.194 5 20 IIBD O=C(Nc1ccc2cccc(Br)c2n1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 489898648 ICKWWAFRZTWWDC-UHFFFAOYSA-N 438.241 4.344 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 490431119 XXZHNVIGICEHCD-SUMWQHHRSA-N 444.431 4.073 5 20 IIBD COc1cc(CNc2cccc(Oc3cnccn3)c2)c([N+](=O)[O-])cc1OCC(F)F 490612889 ILANVNIDLSPKPO-UHFFFAOYSA-N 432.383 4.442 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](c1ccccc1OC(F)F)C(F)(F)F 491308583 UJSIYKQMPBPWJP-INIZCTEOSA-N 449.332 4.037 5 20 IIBD O=C(CN[C@@H]1CCC[C@@H]1Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Br 493388821 RZLYRUSXQWVHFO-CRAIPNDOSA-N 432.318 4.297 5 20 IIBD C[C@@H]1[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CCN1Cc1ccccc1 494068830 KPXUGQHBHQZMCQ-QRQCRPRQSA-N 447.485 4.352 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)c1nnc2n1CCC2 495276779 IIIVOSZEMWHAST-LBPRGKRZSA-N 443.916 4.428 5 20 IIBD O=C(NCCc1csc(-c2ccccc2)n1)c1ccc(Br)cc1[N+](=O)[O-] 497349615 WJHFFOZHHSQSEG-UHFFFAOYSA-N 432.299 4.453 5 20 IIBD Cc1ccc(C)n1-c1nc(CC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cs1 498159515 OXKBCMYTVLCERN-LJQANCHMSA-N 428.539 4.276 5 20 IIBD Cc1ccc(S(=O)(=O)N(CCCn2ccnc2C)c2cccc([N+](=O)[O-])c2)c(C)c1 500593824 CJEHLJMJIKDZHW-UHFFFAOYSA-N 428.514 4.002 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3occ4c3CCC4)cc2)cc1[N+](=O)[O-] 504619963 IVVXOUPBZCGKRP-UHFFFAOYSA-N 441.465 4.038 5 20 IIBD C[C@@H](c1ccc(F)cc1F)N1CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 507671715 FWDBJFMPSYZTEM-LSDHHAIUSA-N 443.454 4.363 5 20 IIBD CCCN1CCC(N(C)Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])CC1 510449709 MVUINQVGBVLLHB-UHFFFAOYSA-N 427.545 4.489 5 20 IIBD Cc1cc(C)c(NC(=O)CN(C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c(C)c1 510821741 QMUJQBVADUDNRK-UHFFFAOYSA-N 436.415 4.224 5 20 IIBD COc1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1OCc1cn2ccccc2n1 511404250 JEFKYGYAKMQMSP-UHFFFAOYSA-N 432.436 4.391 5 20 IIBD CCOC(=O)c1sc(NC(=O)c2cc([N+](=O)[O-])ccc2OC)nc1-c1ccccc1 512385020 ZVUJDGIFCJUAPG-UHFFFAOYSA-N 427.438 4.156 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)c1cccc(O)c1 513771274 JZBQRDQNTOZEDS-LLVKDONJSA-N 440.237 4.047 5 20 IIBD O=C(c1cnn(-c2ncccc2Cl)c1C(F)F)N1CCCc2c1cccc2[N+](=O)[O-] 513834144 PHPCFSIVUQKKQT-UHFFFAOYSA-N 433.802 4.360 5 20 IIBD COc1ccc([C@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])c2ccc(F)cc2)cc1 514027767 WGUKJWJPDUAOAL-JOCHJYFZSA-N 438.459 4.243 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 516047441 FJMSCCLSKKCHRQ-HNNXBMFYSA-N 447.451 4.055 5 20 IIBD COc1cc(OCC(=O)Nc2cc(F)c(Br)c(Cl)c2)ccc1[N+](=O)[O-] 516671286 ROLVNRFLGUZJCN-UHFFFAOYSA-N 433.617 4.176 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(Br)ccc2Br)c1 516754287 JDCXPDNDGUSOKL-UHFFFAOYSA-N 430.052 4.381 5 20 IIBD O=[N+]([O-])c1cccc(OC[C@@H](O)CSc2nccn2-c2ccc(C(F)(F)F)cc2)c1 518449470 JXSHLLYVXKVRTL-MRXNPFEDSA-N 439.415 4.331 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3ncsc3C(F)(F)F)n2)c(Br)c1 518833987 IDROCBCNQSLFHP-UHFFFAOYSA-N 435.181 4.473 5 20 IIBD C[C@H](Cc1cccc(Br)c1)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 519121480 ITFWHRUCRNRUPP-CYBMUJFWSA-N 443.301 4.119 5 20 IIBD O=C(Nc1cc(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])ccc1F)C1CCCCC1 520112226 OTZNEXHQLNVBRJ-UHFFFAOYSA-N 439.440 4.193 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N[C@@H]1CCN(C2CC2)C1 520764974 QBSWZLHIOMKYJZ-MTMYEVCSSA-N 448.548 4.488 5 20 IIBD O=C(CSc1ncccc1[N+](=O)[O-])N1CCN(C(c2ccccc2)c2ccccc2)CC1 520937022 TUBQYLJQUAIPHI-UHFFFAOYSA-N 448.548 4.016 5 20 IIBD CCN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)c1cccc(C(F)(F)F)c1 522678146 QLQBZXYSNUEJNL-CQSZACIVSA-N 437.418 4.343 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc([N+](=O)[O-])c1 522866200 KMOACXAIUPIXTG-UHFFFAOYSA-N 434.408 4.278 5 20 IIBD O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1c(Cl)cccc1[N+](=O)[O-] 524368801 ULGDRBRJIWTEMO-LLVKDONJSA-N 429.782 4.156 5 20 IIBD COc1cc(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)cc([N+](=O)[O-])c1OC 525500490 GKYLBWOKEDPQEB-HNNXBMFYSA-N 441.484 4.187 5 20 IIBD CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 533279161 LZUNPYLASMUWGT-UHFFFAOYSA-N 425.464 4.017 5 20 IIBD Cc1ccccc1Nc1nc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cs1 533393546 GCIXHOSRRFCGSQ-UHFFFAOYSA-N 437.525 4.061 5 20 IIBD CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccc(Cl)c(F)c1 534968676 SLKLKOUWZZDHBX-UHFFFAOYSA-N 430.661 4.220 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC(C)(C)COc1ncccc1Br 535816075 UNBFNQFZMFVPHP-UHFFFAOYSA-N 437.294 4.348 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCc2ccccc21 536470038 YNFYKSIGQWGVIG-MRXNPFEDSA-N 428.510 4.100 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccc(Br)c2ccccc12)c1cccc([N+](=O)[O-])c1 538076624 DFFQFBONBSUQFR-LBPRGKRZSA-N 442.269 4.326 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)cc1 538752957 YTXIMHJEEJJJFK-KRWDZBQOSA-N 447.557 4.042 5 20 IIBD CS(=O)(=O)c1ccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1C(F)F 539425410 UMEZVYVRWPTJTA-UHFFFAOYSA-N 439.440 4.132 5 20 IIBD C[C@@H]1C[C@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CCN1Cc1ccccc1 539489096 VPARHBBJSUDROV-WIYYLYMNSA-N 430.508 4.440 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC=C(c2ccc3c(c2)OCCO3)CC1 540048009 OSRGFRVFVCAOMX-UHFFFAOYSA-N 447.394 4.289 5 20 IIBD O=C(Nc1cc(Cl)ccc1Br)c1cccc([N+](=O)[O-])c1N1CCOCC1 540658192 CVIBZFHUGMXWRQ-UHFFFAOYSA-N 440.681 4.100 5 20 IIBD C[C@H]1C[C@@H](CCNC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCO1 542274534 AEOAIXOTJUUQEX-GJZGRUSLSA-N 443.466 4.151 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 543792963 QZZZFZBQODKEMK-MRVPVSSYSA-N 436.337 4.063 5 20 IIBD CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C 545133458 UBRBQJXNZUUSGW-KGLIPLIRSA-N 440.525 4.475 5 20 IIBD COc1ccc(CNC(=O)Nc2ccc(Cc3nc(C(C)C)no3)cc2)cc1[N+](=O)[O-] 549061468 IFHSCYVHUMTCIN-UHFFFAOYSA-N 425.445 4.022 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1[N+](=O)[O-] 553016016 GQLSBBNYNINOOV-GJZGRUSLSA-N 434.480 4.366 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(COc2ccc(F)cc2)c1 553059790 RKXBJJBLIDIDRE-LJQANCHMSA-N 441.463 4.184 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 554409834 SMNOHZAAXCEADE-RYRKJORJSA-N 433.411 4.233 5 20 IIBD O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2ccc3ccc(Cl)c(Cl)c3n2)CC1 555271171 VJSYBXLIVUYSQU-UHFFFAOYSA-N 431.279 4.412 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CC(C)C)[C@H](C)c1ccccc1Cl 556532901 AOOGZMZEUQKSOK-CQSZACIVSA-N 433.892 4.441 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H](C)Cc1ccccc1C(F)(F)F 558130939 QLSUMYCFFANBRV-ZDUSSCGKSA-N 425.407 4.124 5 20 IIBD C[C@H](C(=O)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1)c1ccc([N+](=O)[O-])cc1F 561846236 LXBXMCUBGCJBQU-SGTLLEGYSA-N 442.365 4.336 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 562109645 GUCZWXSRUBAZJL-UHFFFAOYSA-N 442.491 4.165 5 20 IIBD Cc1nc(NC(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)ccc1-c1ccccc1 579294608 SNQIGFJPKOXSFU-UHFFFAOYSA-N 430.464 4.095 5 20 IIBD CS(=O)(=O)c1ccc(-c2nc(C3(c4c(F)cccc4F)CCCC3)no2)cc1[N+](=O)[O-] 579884871 WMTZELAOCHANIZ-UHFFFAOYSA-N 449.435 4.187 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1)N1CCC(c2ccc(F)c(F)c2)CC1 586827808 UQYMXLNCRDOJPK-UHFFFAOYSA-N 445.451 4.162 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)cc1OC 588722118 DFUXKLGUGAKQTD-UHFFFAOYSA-N 447.919 4.004 5 20 IIBD C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)N1CCOc2ccc([N+](=O)[O-])cc2C1 589303898 DHDHPAADCCWGSH-HNNXBMFYSA-N 430.530 4.000 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3NC(=O)CC34CCCCC4)cc2[N+](=O)[O-])n1 590546206 VXJNJMNOZCOJOI-UHFFFAOYSA-N 432.527 4.091 5 20 IIBD COc1ccc2c(C)cc3nnc(SCc4nc(-c5cccc([N+](=O)[O-])c5)no4)n3c2c1 603562586 VRGIZPOXECPGEV-UHFFFAOYSA-N 448.464 4.450 5 20 IIBD CN(C)c1ccccc1NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 603655374 HHCGLAUZYLBKRC-UHFFFAOYSA-N 437.422 4.034 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](c2nc3ccccc3[nH]2)[C@H](C)CC)cc1OC 603964166 DQIGUCFFXTYRDC-XCLFUZPHSA-N 426.473 4.396 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CNc1cc([N+](=O)[O-])ccc1OC(F)F 604006195 QUBMLBDBVOQDKH-UHFFFAOYSA-N 430.205 4.318 5 20 IIBD Cc1cccc(NC(=O)Nc2cccc(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)c1 604041523 DYORACGYKKZNKH-UHFFFAOYSA-N 440.481 4.026 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)c1 604429993 PEPPOCPVQXWZSM-UHFFFAOYSA-N 430.848 4.358 5 20 IIBD COc1ccc(C[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1OC 608984142 RXZDRHYXOUUEAA-QFIPXVFZSA-N 449.507 4.438 5 20 IIBD COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 609012242 RJHHGJGUHBAQME-INIZCTEOSA-N 449.301 4.281 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)NCCCCc1nc(-c2cccnc2)cs1 609152869 GFRAHPABVCJBJZ-UHFFFAOYSA-N 428.539 4.345 5 20 IIBD C[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 609723040 ISWWRPSSJKVVIT-ZDUSSCGKSA-N 431.876 4.243 5 20 IIBD Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 609883862 VZUDFCOQQYJHPS-OAHLLOKOSA-N 443.916 4.402 5 20 IIBD C[C@@H](CCC(C)(C)C)NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 609887535 IWVKTJKVPILTCQ-HNNXBMFYSA-N 433.530 4.340 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC[C@@H](N4CCCC4)CC3)cc2[N+](=O)[O-])C1 609977537 RHSCKBBBRYRUIX-SVFBPWRDSA-N 428.577 4.168 5 20 IIBD O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc([N+](=O)[O-])cc1Br 610036396 SWYVKNHWPCKTCN-UHFFFAOYSA-N 432.274 4.236 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@H](Cn1cccn1)c1ccccc1 610154849 NFJFNTIWUSQTFB-GOSISDBHSA-N 447.417 4.170 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])N1CCc2[nH]c3ccc(Br)cc3c2C1 610353724 WKJWSJRWSZKJBA-UHFFFAOYSA-N 443.301 4.149 5 20 IIBD O=C(CC1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1)NC1CCCC1 611265048 RQNUZNLKXVFLOY-UHFFFAOYSA-N 428.558 4.379 5 20 IIBD COc1cccc(C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)c1[N+](=O)[O-] 618179446 RPQJQTFSMCPWHB-UHFFFAOYSA-N 430.258 4.046 5 20 IIBD Cc1nccn1-c1ccccc1CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 681969509 CRSLEHWAOTZESE-UHFFFAOYSA-N 444.441 4.384 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)Nc1cccc(Cl)c1 725985306 KNZUXERLXGXJKL-SECBINFHSA-N 427.638 4.195 5 20 IIBD C[C@@H](OC(=O)CC[C@@H](O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 726870695 KNIUQQAYOJNYNU-FOIQADDNSA-N 428.485 4.276 5 20 IIBD CN(C(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C1CCCCC1 727307198 LKBZWDUNKOXBFH-UHFFFAOYSA-N 439.468 4.023 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)OCc3nccn3CC(F)(F)F)cc2[N+](=O)[O-])C1 727769367 FBQVJVVFADBBGE-KBPBESRZSA-N 440.422 4.193 5 20 IIBD Cc1ccc(C[C@@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c2ccccn2)cc1 734499333 BEMXKRXXZDNZPA-GOSISDBHSA-N 431.901 4.214 5 20 IIBD CC[C@H](Cc1cccc(Br)c1)C(=O)OCC(=O)Nc1c(C)cccc1[N+](=O)[O-] 735358200 RZLZEFLKHNIQIX-OAHLLOKOSA-N 449.301 4.416 5 20 IIBD O=C(COC(=O)c1cccc(Oc2nccs2)c1)Nc1ccc(Cl)cc1[N+](=O)[O-] 736916832 AICSKKVRWMIGCZ-UHFFFAOYSA-N 433.829 4.293 5 20 IIBD Cc1cc(=O)oc2cc(OCCOC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)ccc12 740946348 VGZYVOIHKVTFSM-CQSZACIVSA-N 429.450 4.112 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 742514240 FMSQLHUQGPICMG-OJLWIZQOSA-N 429.517 4.246 5 20 IIBD C[C@@H](C(=O)NCCc1ccccc1[N+](=O)[O-])[C@H](NC(=O)OC(C)(C)C)c1ccccc1 742713733 CTDPFTUCINRYGZ-UZLBHIALSA-N 427.501 4.156 5 20 IIBD COC(=O)[C@@H](OC(=O)CSc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl 744462103 XUPVHNZHEBMTPC-INIZCTEOSA-N 430.265 4.451 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cccc(OCC=C(C)C)c1 745345951 OLVASIFFLCGTRD-OAHLLOKOSA-N 428.441 4.132 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccccc2C(F)(F)F)c(Br)c1 746620971 PRYUEZGVMLVAJJ-UHFFFAOYSA-N 426.166 4.144 5 20 IIBD O=C(OCc1nc2ccccc2c2ccccc12)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 747686952 WCQFMCNVFWKGHC-UHFFFAOYSA-N 425.404 4.234 5 20 IIBD Cc1c(CC(=O)OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cccc1[N+](=O)[O-] 748477863 ZTPUWXIDUVONHL-UHFFFAOYSA-N 430.766 4.300 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cc(Cl)ccc1OC(F)F 748916570 GMVYAQNFUOSQGM-UHFFFAOYSA-N 425.731 4.257 5 20 IIBD COc1ccc([C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2Br)c(OC)c1 751062152 KLNAPKRFULPMPY-QGZVFWFLSA-N 435.274 4.352 5 20 IIBD O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 751660063 MRTUZISSTXTYQX-UHFFFAOYSA-N 449.341 4.239 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCN(c2ccc(Cl)cc2)CC1 754968877 RRBHJMYHOPBCJE-UHFFFAOYSA-N 442.672 4.112 5 20 IIBD O=C(NCCc1ccc(OC[C@H](O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc(Cl)cc1 755350089 DXYUVRPCXKDMDG-QFIPXVFZSA-N 440.883 4.333 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)ccc1[N+](=O)[O-] 756783638 ZMCZPBUYNTVSFN-HYVJGQCMSA-N 448.523 4.135 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CN(Cc3ccccc3)C[C@@H](O)c3ccsc3)n2)cc1 756904569 HVVDVRCBFLSEKD-HXUWFJFHSA-N 436.493 4.442 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)c1nc(-c2ccc(Br)cc2)no1 760828220 HXNVKQWZCVTDNG-VIFPVBQESA-N 435.209 4.037 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 762967452 PCSBSWHHIOWDAC-SFHVURJKSA-N 442.516 4.328 5 20 IIBD C[C@H](C(=O)OCC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 763404480 PVKHAEZPSQOTHO-LBPRGKRZSA-N 425.268 4.207 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1nc(-c2ccc(F)c(C)c2)no1 763809767 GZWSILYDRWMMDJ-UHFFFAOYSA-N 447.444 4.188 5 20 IIBD C[C@@H](OC(=O)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F)c1ccccc1[N+](=O)[O-] 764589321 YTGPAQJEISURRJ-CXAGYDPISA-N 434.395 4.105 5 20 IIBD CCCN(CCC)C(=O)c1ccc(NS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cc1 768266595 VRBPYHNSKIYJQM-UHFFFAOYSA-N 437.493 4.105 5 20 IIBD Cc1ccc(N(C[C@H]2CCCOC2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 769877885 MPKFFNPHBTVYBN-MRXNPFEDSA-N 438.933 4.487 5 20 IIBD CCN(CC)C(=O)c1ccc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc1Cl 777942865 QNNVCEYGXZJZJK-UHFFFAOYSA-N 425.819 4.461 5 20 IIBD CN(C)Cc1ccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1F 780851576 OGHOMMHCBALIKY-UHFFFAOYSA-N 425.410 4.413 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N[C@@H](CCO)c1ccccc1Br 781850342 RMRVLFYSRBBLFD-AWEZNQCLSA-N 428.670 4.256 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3[C@@H](CCC[C@H]3NC(=O)OC(C)(C)C)C2)c1 784552713 DQLXOSTUUMGWSH-IAOVAPTHSA-N 435.546 4.082 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc2c3c(c(=O)oc2c1)CCCCC3 786757501 JXABGTMSTYAZLC-UHFFFAOYSA-N 429.450 4.166 5 20 IIBD O=[N+]([O-])c1ccc(CSc2nnc(-c3ccco3)n2Cc2ccco2)c([N+](=O)[O-])c1 789943839 DKXZIFWSELQDIH-UHFFFAOYSA-N 427.398 4.288 5 20 IIBD CC(=O)c1cc(Br)c(F)cc1OS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] 790860334 ASOHMEXZYTZJDO-UHFFFAOYSA-N 446.250 4.084 5 20 IIBD CC(=O)Nc1ccc(Br)cc1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790896896 JQWJPYLMHWWBFO-UHFFFAOYSA-N 444.644 4.289 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)o2)C1 795260482 YEFXGDZAJQOAPB-CQSZACIVSA-N 448.501 4.067 5 20 IIBD C[C@@H]1C(=O)CC[C@H]1CC(=O)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 796229127 BQHMASTZOXZRME-YHQOMNDMSA-N 444.871 4.477 5 20 IIBD CC(C)(C(=O)OCc1nc(N)c2c3c(sc2n1)CCCC3)c1ccccc1[N+](=O)[O-] 796443022 IDUZDFZQVSMHIV-UHFFFAOYSA-N 426.498 4.082 5 20 IIBD O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1ccccc1Oc1ccncc1 802064081 VQOUHSFSARSWMV-UHFFFAOYSA-N 434.452 4.251 5 20 IIBD COc1cc(S(=O)(=O)Oc2c(Cl)cc(Cl)c3cccnc23)ccc1[N+](=O)[O-] 809852742 KGFJYCGREFMOMK-UHFFFAOYSA-N 429.237 4.226 5 20 IIBD Cc1nc([C@@H](C)OC(=O)CSc2nc3cc([N+](=O)[O-])ccc3n2-c2ccccc2)no1 811036514 CZKLFPXOSKDEAS-GFCCVEGCSA-N 439.453 4.022 5 20 IIBD C[C@H](OC(=O)c1c(N)cc(Cl)cc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 811322663 QZJRVEIHWHJWAV-ZETCQYMHSA-N 432.647 4.321 5 20 IIBD C[C@@H](NCc1cc(F)ccc1[N+](=O)[O-])c1ccc(Br)cc1OCCCO 812886060 WUYPYFWGYHPAOD-GFCCVEGCSA-N 427.270 4.108 5 20 IIBD Cc1c(C(=O)N(CC2CCOCC2)c2ccc(Br)cn2)cccc1[N+](=O)[O-] 813377362 KVNGRXPYVYDMQE-UHFFFAOYSA-N 434.290 4.134 5 20 IIBD C[C@@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])c1ccc(-n2cccn2)c(F)c1 814909918 NAAYQTIJLAQUQC-LLVKDONJSA-N 440.403 4.089 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)c2ccc(C(F)(F)F)nc2Cl)cc1C 815050020 NWNDJRZGTCRQFB-SNVBAGLBSA-N 437.827 4.318 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)c1cccc2ccccc12 854158473 XFNKKQYRRIFRFN-JKSUJKDBSA-N 435.480 4.237 5 20 IIBD CCN(C(=O)COC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@H](C)c1ccc(F)cc1 918875530 OZNKYQFYSQOXQD-HUUCEWRRSA-N 434.489 4.367 5 20 IIBD O=C(OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cc2c(Cl)c(Cl)ccc2[nH]1 919205793 WXBMEHNHVBMUEP-UHFFFAOYSA-N 434.235 4.129 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1 919698093 SAZFLXWTABRGBT-YDTSGJJXSA-N 441.915 4.001 5 20 IIBD CO[C@H]1CCC[C@H](OC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)C1 920123673 FLPHWFVCAKHXNR-IRXDYDNUSA-N 426.469 4.006 5 20 IIBD CC(C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 920550923 PHVWNQOPMMARSF-OAHLLOKOSA-N 436.468 4.303 5 20 IIBD O=C(CCc1nc(-c2ccccc2)no1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 1317813621 XBLLBVMUGLZNOH-UHFFFAOYSA-N 434.374 4.169 5 20 IIBD O=C(Nc1ccc2nc(CN3CCCCC3)[nH]c2c1)c1cc([N+](=O)[O-])ccc1OC(F)F 1319905055 XGMZHJYGXLXOJT-UHFFFAOYSA-N 445.426 4.311 5 20 IIBD O=C1C[C@@H](c2nnc(COc3ccccc3[N+](=O)[O-])o2)CN1c1cccc2ccccc12 1322151644 QHKKAUQHPOFRGR-MRXNPFEDSA-N 430.420 4.231 5 20 IIBD O=c1ccc([N+](=O)[O-])cn1Cc1nnc(-c2cc(-c3ccc(F)cc3)nc3ccccc23)o1 1322378532 GWQBZOCOVCQECT-UHFFFAOYSA-N 443.394 4.209 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3cccc(F)c3[N+](=O)[O-])CCC2)cc1)c1nccs1 1787516941 GMJISEZHZHZXHS-UHFFFAOYSA-N 440.456 4.252 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3n[nH]cc3[N+](=O)[O-])CCC2)cc1)c1cccc(Cl)c1 1790266146 FXULJPXLCWKXTA-UHFFFAOYSA-N 439.859 4.033 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2C2CC2)[nH]n1 1823500830 HKYLSGJDZCPCBA-AHCANROVSA-N 449.511 4.070 5 20 IIBD CC(C)/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 1832512429 BMMMHNLUBDBLJO-MECCDNJOSA-N 445.535 4.108 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nc(Cc2ccccc2)c(C)[nH]1 9946517 PTNLKANYAVDXLM-AWEZNQCLSA-N 426.498 4.345 5 20 IIBD COc1cccc(Nc2nnc(SCC(=O)Nc3c(C)cccc3[N+](=O)[O-])s2)c1 10267338 VWBUBPJRUJZAJK-UHFFFAOYSA-N 431.499 4.238 5 20 IIBD O=C(COC(=O)CSc1cc(Cl)ccc1Cl)Nc1ccc(F)c([N+](=O)[O-])c1 11465253 RVWRSSIGVNFBNY-UHFFFAOYSA-N 433.244 4.315 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCN(Cc2nc3ccccc3s2)CC1 15814139 FMILOBSXANUTIB-UHFFFAOYSA-N 438.534 4.377 5 20 IIBD COc1ccc(C(=O)NCC(=O)Nc2ccccc2Oc2cccc(C)c2)cc1[N+](=O)[O-] 15985244 MQETZLMMGMDEGI-UHFFFAOYSA-N 435.436 4.073 5 20 IIBD Cc1oc(C)c(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1C 16698479 VCHSMIDLAHTBJD-ZDUSSCGKSA-N 429.454 4.421 5 20 IIBD O=C(COc1cc(F)ccc1[N+](=O)[O-])N1CCN(C(c2ccccc2)c2ccccc2)CC1 18250181 IKYBLKYDGQPCRI-UHFFFAOYSA-N 449.482 4.047 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)OCc2nc(-c3ccc(Cl)cc3)no2)cc1OC 19159627 HTMAKUDRMZJOEU-UHFFFAOYSA-N 433.804 4.063 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 59827444 FDEKAZQLQGPFLH-UHFFFAOYSA-N 439.537 4.110 5 20 IIBD COc1ccc(N(Cc2ccc(OC)c([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)cc1 60817172 XODSWBJBSVREDP-UHFFFAOYSA-N 442.493 4.316 5 20 IIBD C[C@H](c1ccc(OC(F)(F)F)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 64141562 MALZKNVFNAUZDP-GFCCVEGCSA-N 429.420 4.074 5 20 IIBD CCC[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C(=O)Nc1cccc(N2CCCC2)c1 110200132 IBVOPEQZCKQOCW-LJQANCHMSA-N 449.511 4.214 5 20 IIBD O=C(NCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1c(F)cccc1F 237765287 JKULMKKVDGUHPL-UHFFFAOYSA-N 435.814 4.306 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NC[C@H](O)c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 301283120 UQOJVIPRXTYQIS-KRWDZBQOSA-N 435.267 4.012 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cc2c(cc1Cl)OCCO2 302900243 VTAYTBYRMOMGRI-UHFFFAOYSA-N 445.781 4.479 5 20 IIBD Cc1cccc([C@@H]2CCCN2C(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)c1C 303932861 PZEKLLCEWDOPHC-IBGZPJMESA-N 432.480 4.043 5 20 IIBD C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1noc(-c2ccccc2)n1 426047139 QRGXCCBJQGJNIZ-LLVKDONJSA-N 435.362 4.224 5 20 IIBD CCSc1cccc(-c2noc(-c3nn(-c4ccccc4[N+](=O)[O-])c(C)cc3=O)n2)c1 426596391 SYDMJIZDHBSOAD-UHFFFAOYSA-N 435.465 4.278 5 20 IIBD Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)cc(C)c1Br 427197049 JGGWLCYMDOVPLK-UHFFFAOYSA-N 434.290 4.063 5 20 IIBD COC(=O)[C@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(OC(F)F)cc1 428056351 HCAXFNHSYTVZCH-LJQANCHMSA-N 432.379 4.460 5 20 IIBD O=C(Cc1c[nH]c2cc(Br)ccc12)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 428513677 YLRXOOHSGBSFJO-UHFFFAOYSA-N 446.257 4.181 5 20 IIBD O=[N+]([O-])c1ccc2oc(CSc3nnc(-c4ccncc4)n3CC(F)(F)F)nc2c1 434808858 LRIAQLMQSJPSLD-UHFFFAOYSA-N 436.375 4.244 5 20 IIBD COc1cc(C)c(CN(C)C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1OC 435826525 LVDIINWPMUNPEN-UHFFFAOYSA-N 434.467 4.418 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCC(N2CCCCC2)CC1 436172246 NGKJYMUVFGVICL-UHFFFAOYSA-N 425.479 4.050 5 20 IIBD CC(=O)Nc1ccc(C)c2c1CCCN2C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 438946219 HFDPQLQYJAUVTR-ZDUSSCGKSA-N 431.876 4.262 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccc(Oc2ccccc2)cc1 439738674 KHBIZUSCVMJXNP-UHFFFAOYSA-N 435.436 4.041 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2nc(-c3ccc(SC)cc3)ns2)cc([N+](=O)[O-])c1 440467482 MCHYZNYKQFTQRO-UHFFFAOYSA-N 444.494 4.264 5 20 IIBD O=C(CCNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])NCc1ccccc1 440729506 UWLMQRCXZHRHHM-UHFFFAOYSA-N 435.505 4.182 5 20 IIBD CCOC(=O)c1cnc(C)c(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1 444298491 OBFUQWITXFFKPF-UHFFFAOYSA-N 437.402 4.092 5 20 IIBD CCc1[nH]nc(C(=O)N[C@H](CC(F)(F)F)c2ccc(Br)cc2)c1[N+](=O)[O-] 444361931 HSVKSHWHTGVPNN-LLVKDONJSA-N 435.200 4.066 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)Cc1noc(/C=C\c2ccc([N+](=O)[O-])cc2)n1 445318529 LAFZVCOYYSHSKJ-YVMONPNESA-N 428.832 4.300 5 20 IIBD CN(C)C(=O)c1cccc(CCNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])c1 447686063 CREGHIWJYFPMDZ-UHFFFAOYSA-N 432.349 4.000 5 20 IIBD COc1ccc2c(c1)N(C(=O)c1ccc(N3CCC(C)CC3)c([N+](=O)[O-])c1)C[C@@H](C)O2 460501426 FIFNKBVSPYHOKV-MRXNPFEDSA-N 425.485 4.267 5 20 IIBD COCc1cccc(NC(=O)c2cc(C(=O)Nc3cccc(COC)c3)cc([N+](=O)[O-])c2)c1 460724219 ZDYIRCASRADMRN-UHFFFAOYSA-N 449.463 4.392 5 20 IIBD COc1cccc([C@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc2Cl)c1 462328909 UCQLDCYJBCXPSR-NRFANRHFSA-N 446.912 4.466 5 20 IIBD COc1cc(CN2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)c([N+](=O)[O-])cc1OCC(F)F 463204900 TWCZROMWZMOMNK-NOCIGQNYSA-N 442.503 4.399 5 20 IIBD CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(OC)c(F)cc1[N+](=O)[O-] 463469583 LXFFPJDOHLHXPO-UHFFFAOYSA-N 429.370 4.222 5 20 IIBD CC(C)(C)c1nc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc34)ccc2o1 463526335 YLDPDLWQCDHJSY-UHFFFAOYSA-N 426.454 4.383 5 20 IIBD Cc1ccc(NCCCNC(=O)[C@@H](C)c2ccc(Br)s2)c([N+](=O)[O-])c1 464067884 KZHSPMMIJIWMBY-LBPRGKRZSA-N 426.336 4.449 5 20 IIBD CCSc1cccc(Br)c1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 464712917 QPGXZGOGWDOGOG-UHFFFAOYSA-N 448.302 4.302 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCO[C@H](c2cccc(Cl)c2)C1 466309305 VIRQOVUGMOEWQA-KRWDZBQOSA-N 444.793 4.403 5 20 IIBD CCO[C@H]1COCC[C@H]1NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 466736570 XADWZVKUDGCKJI-SJORKVTESA-N 436.917 4.323 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(Oc3nc(C)cs3)c(F)c2)cc1[N+](=O)[O-] 470264214 RPXBFXXUDPLVHN-UHFFFAOYSA-N 439.446 4.101 5 20 IIBD COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 470372403 DSIWDPVFBFCUNV-CYBMUJFWSA-N 430.848 4.100 5 20 IIBD COc1cc(C(=O)N2CCCSc3ccc(F)cc32)c([N+](=O)[O-])cc1OC(F)F 471239720 XYTKAXHTXZBGDA-UHFFFAOYSA-N 428.388 4.487 5 20 IIBD CCOC(=O)[C@H](NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C1CCOCC1 475135490 FHABOFLNXNEZGJ-OAQYLSRUSA-N 448.903 4.488 5 20 IIBD CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CC[C@H](c2ccc(F)cc2)C1 478189019 WYYSPKONGJRHLV-YWZLYKJASA-N 447.894 4.158 5 20 IIBD Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 478396202 DMHJPEJRQPBUEX-OAHLLOKOSA-N 425.411 4.119 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCOc2cccc(F)c21 479582245 SUWOGWSDVMIFGO-UHFFFAOYSA-N 437.214 4.266 5 20 IIBD CCN(C(=O)Cn1cc([N+](=O)[O-])nc1C)[C@@H](c1cccnc1)c1csc2ccccc12 481016307 PQEMFQURVGRVBB-QFIPXVFZSA-N 435.509 4.348 5 20 IIBD Cc1ccc(C(=O)N(C)C)cc1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 481473593 PSGKGHJTRLHHBE-UHFFFAOYSA-N 441.431 4.355 5 20 IIBD Cc1cc(Br)c(O)c(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c1 482602253 KLTMJPFOGULSRH-UHFFFAOYSA-N 430.052 4.386 5 20 IIBD Cc1c([C@@H](C)NCCC(=O)N(C)Cc2ccccc2Br)cccc1[N+](=O)[O-] 482886112 GCDUYCPJGFXBBT-OAHLLOKOSA-N 434.334 4.365 5 20 IIBD CSc1nnc(CCCNc2ncc([N+](=O)[O-])cc2Br)n1C1CCCC1 485194659 OLOLAAZGRLDDSW-UHFFFAOYSA-N 441.355 4.226 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(NC(=O)C(C)C)ccc2Cl)c(C)c([N+](=O)[O-])c1 485977680 IYPCRMNZGLDJKD-UHFFFAOYSA-N 433.848 4.190 5 20 IIBD CC(C)(C)OC(=O)[C@@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccccc1 486322309 ZGJFVQUAWJGILZ-ZDUSSCGKSA-N 441.303 4.232 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2cc(Br)ccc21 486500234 DNDOUJHCWIEWTD-UHFFFAOYSA-N 437.315 4.299 5 20 IIBD CCOc1cc(NCc2cccnc2Oc2cccc(S(C)(=O)=O)c2)ccc1[N+](=O)[O-] 486926739 JYPZELZDQULTNE-UHFFFAOYSA-N 443.481 4.196 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@H](c2nc3c(s2)CCCC3)C1 490062016 PUSSBRQDKGYUMB-HNNXBMFYSA-N 442.541 4.108 5 20 IIBD CN(Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 490116749 HKNUEZXUDQFKAN-UHFFFAOYSA-N 427.448 4.412 5 20 IIBD O=C(N[C@H](c1cccc(F)c1)c1ccccn1)c1ccc([N+](=O)[O-])cc1Br 498885668 VLBMQOUCMQYBRC-GOSISDBHSA-N 430.233 4.411 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Br)cc2Cl)c2ncccc12 500476854 XPILQHDGPMQNDU-UHFFFAOYSA-N 442.678 4.360 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 502561271 PJZYVGHHPGJMQA-FQEVSTJZSA-N 447.532 4.039 5 20 IIBD CS(=O)(=O)c1cc(SCc2coc(-c3ccc(F)c(F)c3)n2)ccc1[N+](=O)[O-] 507602294 VVJYZEPDFRQKKH-UHFFFAOYSA-N 426.422 4.224 5 20 IIBD Cc1c(Br)cc(C(=O)N(C)Cc2nc(C(F)(F)F)cs2)cc1[N+](=O)[O-] 510060378 YOBGFSRJLDPMMB-UHFFFAOYSA-N 438.225 4.413 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 512040102 KEPGKGUEVPTMAL-NRFANRHFSA-N 445.479 4.079 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC[C@H](COc2ccccc2Cl)C1 513879583 GMSZQFYVEZITKP-INIZCTEOSA-N 440.887 4.365 5 20 IIBD COC(=O)c1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)oc1C 514541632 MWUCMQAXWASEDK-UHFFFAOYSA-N 440.408 4.014 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F)c1cccc([N+](=O)[O-])c1 516047127 RDYXRKMZTGEIDW-JTQLQIEISA-N 445.781 4.005 5 20 IIBD Cc1ccc2c(c1)c(=O)n(C)c1nnc(COc3ccc(-c4ccccc4)cc3[N+](=O)[O-])n21 516787837 RDBYPHVYCAXENE-UHFFFAOYSA-N 441.447 4.044 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2nnc([C@@H](CC)c3ccccc3)s2)cc([N+](=O)[O-])c1 517360315 GOJOJBFOPRNZMT-KRWDZBQOSA-N 440.481 4.417 5 20 IIBD CCc1cccc2c(C3CCN(C(=O)c4cn(-c5cccc([N+](=O)[O-])c5)nn4)CC3)c[nH]c12 517564831 YCEZCLWBIPTEDL-UHFFFAOYSA-N 444.495 4.239 5 20 IIBD Cc1cccc(COc2ccc(NC(=O)C(=O)NCCc3ccc([N+](=O)[O-])cc3)c(C)c2)c1 517968611 INUDKXOXPLVWBM-UHFFFAOYSA-N 447.491 4.088 5 20 IIBD CC[C@@H](c1ccccc1)c1nnc(NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)s1 518041324 WPRUWXXXGVWPNW-KRWDZBQOSA-N 449.496 4.130 5 20 IIBD COc1cc(CNCc2nc(C)c3ccccc3n2)c([N+](=O)[O-])cc1OCC(F)(F)F 518784290 FQRCMPLBZJJGHE-UHFFFAOYSA-N 436.390 4.086 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(NC(=O)C2CCCCC2)c1 519990102 JRAJGZPCDTVKAD-UHFFFAOYSA-N 426.473 4.444 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2C)cc1OC 520464375 UOMCULRMXLVIOG-UHFFFAOYSA-N 441.484 4.235 5 20 IIBD CC[C@@H](c1ccccc1)c1nnc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)s1 520729622 REMSTJOBDWKFRP-AWEZNQCLSA-N 426.454 4.012 5 20 IIBD CCN1CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)CC1 521357424 LDHVDGXCMSDVOK-UHFFFAOYSA-N 433.892 4.217 5 20 IIBD Cc1cccc(NC(=O)Nc2cccc(CNC(=O)CNc3ccccc3[N+](=O)[O-])c2)c1 521597966 RHMZULASLWSEJI-UHFFFAOYSA-N 433.468 4.276 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@H](C)c2cccc(OC(C)C)c2)ccc1[N+](=O)[O-] 523284603 VDEVUPXBUADORY-VGSWGCGISA-N 439.512 4.172 5 20 IIBD Cc1cc(S(=O)(=O)NCc2nc(-c3ccc(Cl)cc3)c(C)s2)ccc1[N+](=O)[O-] 523759373 QRJOKEVOMICETQ-UHFFFAOYSA-N 437.930 4.467 5 20 IIBD COc1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)c2ccccc2)cc1Br 524257324 FGKXWIQULNIDNX-LJQANCHMSA-N 444.285 4.224 5 20 IIBD COc1cc(C(=O)NCCCc2c[nH]nc2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 524419272 AHEYTPAXIGZZOR-UHFFFAOYSA-N 444.875 4.443 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c2ccccc2NC1=O 525148737 KNBLTIWHHXHFJS-HOTGVXAUSA-N 445.479 4.398 5 20 IIBD COc1cccc([C@H](CC(=O)O)NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 532002868 SACLJDCNEZRRDF-NRFANRHFSA-N 449.463 4.161 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1 534950234 PSUFVAMPFBSOEI-STQMWFEESA-N 448.463 4.349 5 20 IIBD CN1CCC(N(C)[C@H]2CCCC[C@@H]2N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 535089466 MRWNIPZLZHONDM-PMACEKPBSA-N 437.972 4.049 5 20 IIBD CS(=O)(=O)c1ccc(-c2nc(Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)cs2)cc1 538658082 MPBQDMBUKZNASM-UHFFFAOYSA-N 440.506 4.034 5 20 IIBD O=C(Cc1csc(Cc2ccc(F)cc2)n1)NCCc1ccc(Cl)cc1[N+](=O)[O-] 538700690 FVMDMBVFEAQKKT-UHFFFAOYSA-N 433.892 4.336 5 20 IIBD COc1cc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])ccc1N1CCCC1=O 540171042 LXEDURJWCBAGGL-UHFFFAOYSA-N 432.436 4.045 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)c1 540620363 QCOMXEHBZJEENI-HOYKHHGWSA-N 442.512 4.114 5 20 IIBD O=C(Nc1cc(Br)ccc1Cl)c1cccc([N+](=O)[O-])c1N1CCOCC1 540638619 NWKRJVDJZAERHP-UHFFFAOYSA-N 440.681 4.100 5 20 IIBD Cc1nc(-c2ccccc2)sc1NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 542206146 TVXMDCKSOBRXJW-CQSZACIVSA-N 442.522 4.332 5 20 IIBD COc1ccc(NC(=O)NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1[N+](=O)[O-] 543890334 HMZVFKNFEQOIEO-UHFFFAOYSA-N 438.415 4.317 5 20 IIBD CCCc1c(NC(=O)NCc2cc([N+](=O)[O-])ccc2OC)cnn1-c1cccc(F)c1 544315090 BMGQFIOFLUWBDL-UHFFFAOYSA-N 427.436 4.202 5 20 IIBD CCc1sc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])nc1-c1ccc(OC)cc1 546088488 OOLKJOWSYQFIPG-UHFFFAOYSA-N 433.511 4.231 5 20 IIBD C[C@H](Sc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C)C(=O)Nc1cccc2ccccc12 546526047 BHKVJCMFGDTYST-ZDUSSCGKSA-N 434.477 4.114 5 20 IIBD CC(C)(C)c1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1C[C@@H]1CCCCO1 550006556 IHDVILXETFJRDX-FQEVSTJZSA-N 443.548 4.101 5 20 IIBD O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 550062931 YIYMTMDHLVQUJT-FQEVSTJZSA-N 427.888 4.007 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCC[C@@H](c4nnc5n4CCC5)C3)c([N+](=O)[O-])c2)cc1 550575527 KGCXSBMQAFERLG-GOSISDBHSA-N 446.511 4.077 5 20 IIBD CSc1ccc(C(=O)N(C)CC(=O)NC(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 553581038 LBEWBOFWGNLHCE-UHFFFAOYSA-N 449.532 4.295 5 20 IIBD CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN([C@H](C)c2nc(-c3ccc(C)cc3)no2)CC1 554672565 WODNLZBUSRHREE-MRXNPFEDSA-N 435.484 4.039 5 20 IIBD CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 554787739 ZAGDTZICAHPKIJ-QDJPGJPLSA-N 439.516 4.257 5 20 IIBD COc1cc(Cc2noc(C3(Cc4cccc(F)c4)CCOCC3)n2)ccc1[N+](=O)[O-] 559967525 VHFCDJTTYIKCEW-UHFFFAOYSA-N 427.432 4.007 5 20 IIBD CC(C)NC(=O)c1ccc(N[C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)c([N+](=O)[O-])c1 569045900 GRYJFTSVKPOQDG-GAJHUEQPSA-N 441.528 4.470 5 20 IIBD Cc1cc(-c2noc(-c3cc([N+](=O)[O-])cc(Br)c3C)n2)ccc1-n1cncn1 569289662 IHUNTRWJLHWRKK-UHFFFAOYSA-N 441.245 4.272 5 20 IIBD CC[C@@H](NC(=O)c1ccccc1)c1noc(Cn2c3ccccc3c(=O)c3ccccc32)n1 580377940 RIDAYVLHLKCTDH-HXUWFJFHSA-N 438.487 4.467 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H](Oc2ccc(Cl)cc2)C1 581270827 UKWAPEPGFXECJN-CQSZACIVSA-N 425.666 4.304 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2cnc(-c3ccc(Cl)cc3)s2)s1 581327675 NXLMLFIAUKQWQJ-UHFFFAOYSA-N 429.932 4.449 5 20 IIBD CC(C)NS(=O)(=O)c1cccc(CNC(=O)c2cc3ccccc3c3cccnc23)c1 582672739 BCNQPNXMOBTYHW-UHFFFAOYSA-N 433.533 4.005 5 20 IIBD COc1cc(C(=O)Nc2ncc(CCO)s2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 588873818 QLXWOWJJXIXDPX-UHFFFAOYSA-N 449.872 4.293 5 20 IIBD CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 589101135 SMRQNSRDUCMLBT-CWFSZBLJSA-N 431.558 4.006 5 20 IIBD COc1cc(C(=O)NC[C@@]2(O)CCC[C@H]2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 590525470 QYENYPLDGQOYIY-ASSNKEHSSA-N 434.876 4.330 5 20 IIBD O=C(Nc1ccccc1)c1ccc(Cl)c(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1 603620413 VSQZLWLKWJURMB-UHFFFAOYSA-N 439.811 4.482 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 603638862 ZBVKSCYRWWKWED-MRXNPFEDSA-N 441.818 4.243 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccccc2N2C[C@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] 603985471 KSSZGKBCUJUAAV-IYBDPMFKSA-N 445.541 4.089 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCC[C@@H]1c1ccccc1Cl 603997784 MTQUOPRNKIOCRP-QGZVFWFLSA-N 429.860 4.300 5 20 IIBD Cc1ccc(-c2csc(NC(=O)C[C@@H](C)NC(=O)C3CCCCC3)n2)cc1[N+](=O)[O-] 608934778 CIHQMYJWUINISZ-CQSZACIVSA-N 430.530 4.440 5 20 IIBD COc1nc(C)cc(C)c1CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 608972181 VOSJHUOEDDKKCE-MRXNPFEDSA-N 435.484 4.113 5 20 IIBD CSc1ccc(C(=O)N2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)cc1[N+](=O)[O-] 609113777 YVMDFYMJHVZCER-CQSZACIVSA-N 446.504 4.130 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2ccnc(Oc3ccccc3)c2)cc1SC 609126294 HMYSQWOMSWLTHU-UHFFFAOYSA-N 425.466 4.443 5 20 IIBD Cc1ccc(C(=O)Nc2cccc(CS(=O)(=O)c3ccc(F)cc3F)c2)cc1[N+](=O)[O-] 609755869 VQWLHLRPOHPEHO-UHFFFAOYSA-N 446.431 4.408 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([C@@H](C)N2CCOCC2)cc1 609811156 QYXJKPDXKFNUQY-GOSISDBHSA-N 426.517 4.431 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(Br)cc1F 610183209 ZFFARRLRNUMQAH-UHFFFAOYSA-N 431.601 4.189 5 20 IIBD COCCNC(=O)C1CCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 611253676 BZPXTIIRNGAWIB-UHFFFAOYSA-N 447.919 4.015 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1 613296888 AOBFKEPKUZZRAV-UHFFFAOYSA-N 432.480 4.355 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1c(C(=O)O)sc2ccccc12 683314853 OOVGCUYSWUELJU-UHFFFAOYSA-N 442.496 4.384 5 20 IIBD COc1cc(CNCc2ccc(-n3ccnc3)nc2)c([N+](=O)[O-])cc1OCc1ccccc1 725845112 LPQDLHRXEHVIQM-UHFFFAOYSA-N 445.479 4.053 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N2[C@H](C)CCC[C@H]2C)cc1 728808549 HHJZMXVFXMSUPD-HZPDHXFCSA-N 432.498 4.074 5 20 IIBD CCOc1cccc([C@H](C)NC(=O)c2ccc(I)c([N+](=O)[O-])c2)c1 729262882 ZGHVLSWLKLSMSN-NSHDSACASA-N 440.237 4.089 5 20 IIBD Cc1c(C(=O)NCC2(c3ccccc3Cl)CCOCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 729960803 TXFMRBFRNROCQY-UHFFFAOYSA-N 447.875 4.251 5 20 IIBD Cc1ccc(-n2nc(C(=O)O[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])c3c2CCCC3)cc1 731085345 HMICQPZYVQUUAW-MRXNPFEDSA-N 448.479 4.152 5 20 IIBD C[C@H](CC(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(F)c1 734904725 JBMPTMTVWROIMK-LLVKDONJSA-N 428.338 4.428 5 20 IIBD C[C@@H](c1nc(-c2cccs2)no1)N1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 735494490 YQKXWZXFGWEJOH-ZDUSSCGKSA-N 433.921 4.239 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)O)cc(Cl)c1Cl 736421392 SFZSXMHCOOXBJN-UHFFFAOYSA-N 439.660 4.362 5 20 IIBD COc1ccc(S[C@@H](C)C(=O)OC2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)cc1 739384838 NOXLTCVNFDVLFD-HNNXBMFYSA-N 446.525 4.305 5 20 IIBD COc1ccc(NC(=O)CNc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)c([N+](=O)[O-])c1 742264257 VVQGLLAZOXRYLA-AWEZNQCLSA-N 444.488 4.240 5 20 IIBD C[C@H](OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)Nc1cc(Cl)ccc1Cl 743127655 QCNBBZIGZVELGT-NSHDSACASA-N 449.250 4.271 5 20 IIBD Cc1ccc(C2(C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CCOCC2)cc1 745007576 LPFGNNNFBQQOPD-HNNXBMFYSA-N 446.887 4.175 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Oc1ccc2ccccc2c1Br 746175396 CFWBCOGVSOYMCX-UHFFFAOYSA-N 426.219 4.417 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1C[C@@H]1c1cccc(Br)c1 747521389 OMYRKCFZBSXGFL-CVEARBPZSA-N 444.241 4.254 5 20 IIBD CCCC[C@@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)Nc1cc(C)on1 747962259 OGQZAOMNZMZQTQ-MRXNPFEDSA-N 444.469 4.369 5 20 IIBD O=C(NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1ccc(NC2CC2)c([N+](=O)[O-])c1 748544926 VXKBUSXPJZWALX-GOSISDBHSA-N 443.809 4.002 5 20 IIBD CNC(=O)c1cc(Oc2cc(C)ccc2NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)ccn1 748807591 ICBZZRHRMOTNSV-UXBLZVDNSA-N 432.436 4.102 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 749501660 HDBKXCPFRDZJMX-VOBQZIQPSA-N 426.448 4.433 5 20 IIBD C[C@@H]1CCCCN1C[C@H]1CCCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 755029316 RCAMMCXVPGQOGP-HUUCEWRRSA-N 439.354 4.476 5 20 IIBD COC(=O)c1cccc(-c2nc(COC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)cs2)c1 755069467 VAJNFNXYOQHAHO-LBPRGKRZSA-N 444.440 4.491 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)Cc1ccc([N+](=O)[O-])cc1Br 755087538 LTYIDOYDHMCHCG-UHFFFAOYSA-N 442.653 4.120 5 20 IIBD CN1CCC[C@@H](COC(=O)c2ccc([N+](=O)[O-])n2C)[C@@H]1c1ccc(C(F)(F)F)cc1 757899635 ZBJYJESHMLGFBL-KSSFIOAISA-N 425.407 4.192 5 20 IIBD C[C@H](Cc1cc(Br)ccc1F)Nc1ccc([N+](=O)[O-])cc1N1CCOC1=O 757985614 YCFSNLOERPQBKE-LLVKDONJSA-N 438.253 4.496 5 20 IIBD O=C(OCc1nnc(-c2ccccc2Cl)o1)c1cccc([N+](=O)[O-])c1Br 758286379 QMDABTYFIZLWKE-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD O=C(NC[C@H](O)c1cc2ccccc2s1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 758332621 VLXURZBDZKOQHF-HNNXBMFYSA-N 440.399 4.214 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C 758876092 RTHOZSBZDVIHMR-MRXNPFEDSA-N 441.484 4.121 5 20 IIBD Cc1nn(Cc2ccc(C(=O)O[C@@H](c3ncccn3)C3CCCC3)cc2)c(C)c1[N+](=O)[O-] 761405398 JJXJRVFYKNYBIJ-OAQYLSRUSA-N 435.484 4.335 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OCc2nncn2-c2ccccc2)cc1 764336641 VVBZOCQSINSCAM-UHFFFAOYSA-N 446.419 4.333 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OC1CCN(c2nncc3ccccc23)CC1 765610176 GVUYUHZPBIKMDY-SFHVURJKSA-N 434.496 4.319 5 20 IIBD Cc1nn(Cc2ccc(C(=O)O[C@H]3CCOc4cc(F)ccc43)cc2)c(C)c1[N+](=O)[O-] 766301429 SOXXEAROXBSMTA-IBGZPJMESA-N 425.416 4.276 5 20 IIBD O=C(OCc1ccc(-c2ccsc2)cc1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 769664830 LNFTXNCUPNDELX-UHFFFAOYSA-N 436.445 4.334 5 20 IIBD Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1cc(Br)cc([N+](=O)[O-])c1 770474623 CDBFYFIOUJZOFV-IEBWSBKVSA-N 430.302 4.114 5 20 IIBD CC[C@@H](NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H](c1ccc(C)cc1)n1cncn1 773101344 BNWLFCHJZYAVKQ-RPWUZVMVSA-N 434.544 4.121 5 20 IIBD COc1ccc(Br)c2[nH]c(C(=O)N3CCc4cc(C)c([N+](=O)[O-])cc43)cc12 773985931 SXPSQUIWQMICFV-UHFFFAOYSA-N 430.258 4.359 5 20 IIBD COC(=O)c1ccc(Oc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])cc1[N+](=O)[O-] 774681614 PIVTZBBTHKCQRG-UHFFFAOYSA-N 437.233 4.131 5 20 IIBD C[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(NC(=O)Cc2ccccc2F)c1 774988383 ACILQPJNBSUEBW-HJPURHCSSA-N 437.471 4.299 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc(CC(=O)O[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 777332105 FARGOWUJENZNKN-MSOLQXFVSA-N 444.488 4.408 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 778801067 UQZDRBNMXBJLHE-LLVKDONJSA-N 431.242 4.425 5 20 IIBD O=C(Nc1ccccc1)c1ccc(OC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1 779323294 IUUACCPQXDTTRQ-UHFFFAOYSA-N 428.404 4.252 5 20 IIBD Cc1cnc(COC(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)c(C)c1[N+](=O)[O-] 789443415 NLOXHJSLIAYFCG-HNNXBMFYSA-N 426.498 4.176 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Oc2ccc(-c3ncc4n3CCCC4)cc2)c1C 790421961 IUMXCDAYOHIQFZ-UHFFFAOYSA-N 427.482 4.179 5 20 IIBD O=C(NCc1ccc(Cl)s1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 790657397 OKPPBJRXJBLHOF-UHFFFAOYSA-N 430.711 4.340 5 20 IIBD COc1ccc(-c2nc(COC(=O)c3cc(OC)c(C)c([N+](=O)[O-])c3)cs2)c(OC)c1 791693334 WXZJZZXCEDHZJI-UHFFFAOYSA-N 444.465 4.410 5 20 IIBD CN(CC(=O)NC(c1ccccc1)c1ccccc1)C(=S)Nc1ccc([N+](=O)[O-])cc1 793307800 PDNMZXGQGXFDMG-UHFFFAOYSA-N 434.521 4.129 5 20 IIBD COCC1(CNCc2ccc([N+](=O)[O-])c(Cl)c2)CCN(C(=O)OC(C)(C)C)CC1 793620150 LZPNPSSNZJAPDB-UHFFFAOYSA-N 427.929 4.002 5 20 IIBD O=C(Cc1ncccc1F)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 795787997 WWRHPESDHAPMPB-HXUWFJFHSA-N 443.818 4.248 5 20 IIBD COc1c(C(=O)Oc2ccc(OCc3nc(C(C)(C)C)no3)cc2)cccc1[N+](=O)[O-] 796717406 RIKREZZQWLTLGB-UHFFFAOYSA-N 427.413 4.082 5 20 IIBD CCn1ncc2cc(C(=O)Oc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)c(C)nc21 799295189 BXBIBUSKNRPQPX-UHFFFAOYSA-N 445.435 4.139 5 20 IIBD O=C(OCC(=O)c1cccc(Cl)c1Cl)c1cc([N+](=O)[O-])ccc1SCCO 801851818 QTPONAYWIZYDHW-UHFFFAOYSA-N 430.265 4.026 5 20 IIBD Cc1cc(C)c(COC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)c(OCc2ccccc2)n1 805437120 BUBKXNCYAOMIQF-UHFFFAOYSA-N 438.484 4.132 5 20 IIBD C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC[C@@H](O)c1ccc(Cl)c(Cl)c1 809755370 PTKOTUMQCQKXFJ-KZULUSFZSA-N 426.300 4.332 5 20 IIBD O=C(OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]1CCCN1C(=O)OCC(F)(F)F 811085635 VDVBGOBKZJVGDY-NSHDSACASA-N 445.177 4.108 5 20 IIBD O=C(N[C@@H](Cn1ccccc1=O)c1ccccc1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813243773 XSPWXLBTADWIEP-KRWDZBQOSA-N 432.263 4.235 5 20 IIBD CN(C)c1cc(F)c(C(=O)Nc2ccccc2-n2cc(Br)cn2)cc1[N+](=O)[O-] 821671650 GGHKDTXNIURLBE-UHFFFAOYSA-N 448.252 4.000 5 20 IIBD CC(=O)Nc1cccc(NC(=S)/C(=C(/O)c2ccc([N+](=O)[O-])cc2)[n+]2ccc(C)cc2)c1 913141256 JTODYWQJEYWXSY-UHFFFAOYSA-O 449.512 4.472 5 20 IIBD O=C(CC[C@@H]1CCCO1)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 914971061 PJWMVLDSKUKYHC-JXFKEZNVSA-N 432.860 4.430 5 20 IIBD COc1c([N+](=O)[O-])cc(NCc2cccnc2OC(C)C)c([N+](=O)[O-])c1Br 917074558 ZWMKEEWFVPIBOR-UHFFFAOYSA-N 441.238 4.068 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 917802999 FLWWVHQPBDPFLF-UNJYKCMZSA-N 428.448 4.290 5 20 IIBD Cc1cc(CN(C)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc(C)c1OCC(F)(F)F 917848456 ODBNBNBYUDETBX-UHFFFAOYSA-N 441.362 4.333 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N[C@@H]1CCOc2ccccc21 919193502 SOXCOUYIUYXFSU-HXUWFJFHSA-N 448.431 4.184 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccc(Br)cc2n1 919523253 UXNLPXKGSGNSAA-UHFFFAOYSA-N 444.241 4.009 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1Br 921298204 XZLSOLNRLFZGOR-UHFFFAOYSA-N 443.172 4.316 5 20 IIBD O=C(c1cccs1)C1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC1 1116227017 QTRKJYFCKKEFSD-UHFFFAOYSA-N 442.415 4.333 5 20 IIBD CCN(CC)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)CC1 1318337774 BWXFAKXUWIZWMP-UHFFFAOYSA-N 427.501 4.342 5 20 IIBD COCCn1c(Cc2ccc3ccccc3c2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1330054143 GLUTVHZPWXJVMH-UHFFFAOYSA-N 443.507 4.139 5 20 IIBD Cc1ccc(Cl)cc1CNC(=O)c1cc([N+](=O)[O-])ccc1I 1336581630 DOWQJYYHMPSQEK-UHFFFAOYSA-N 430.629 4.091 5 20 IIBD CC(=O)NC1(c2ccc(NC(=O)Cc3cc(Br)ccc3[N+](=O)[O-])cc2)CCC1 1786071647 SASMZYHUXVVNEU-UHFFFAOYSA-N 446.301 4.054 5 20 IIBD O=C(CCCc1ccncc1)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1 1790184278 MBPVOKWXFHHBFW-UHFFFAOYSA-N 447.495 4.089 5 20 IIBD COc1cc(CC(=O)Nc2ccc(C3(NC(=O)C45CC(C4)C5)CCC3)cc2)ccc1[N+](=O)[O-] 1790480203 HFCCPSIXSKOOFJ-UHFFFAOYSA-N 449.507 4.080 5 20 IIBD Cc1ccccc1CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1cccc([N+](=O)[O-])c1 1793943670 HORLCHVXWIQIHW-NUNAXRQHSA-N 449.551 4.107 5 20 IIBD O=C(CCC1CCC1)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)[nH]n1 1815046190 QAEPQICPKMZIGH-VEGGFIAOSA-N 441.488 4.197 5 20 IIBD CC/C=C(\C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cccc([N+](=O)[O-])c2)n[nH]1 1815539277 XHCIAAGUBZXCIC-FALBMNKOSA-N 439.516 4.299 5 20 IIBD CCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])c(O)cc2C)CC1 1830790811 WLAUXCWDTWZDHF-IBGZPJMESA-N 445.560 4.278 5 20 IIBD O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NCc1ccc(OC(F)F)cc1 11509094 KPXQAOBUXDROOI-UHFFFAOYSA-N 425.438 4.214 5 20 IIBD COc1cc(COC(=O)COc2ccc(Cl)cc2C)c([N+](=O)[O-])cc1OC(F)F 12450871 ZRVYZODUTGEHJJ-UHFFFAOYSA-N 431.775 4.289 5 20 IIBD NC(=O)c1ccc(SCC(=O)NCCC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 15962504 GQHGAZVPOTVALQ-UHFFFAOYSA-N 449.532 4.124 5 20 IIBD O=[N+]([O-])c1ccc(Nc2ccccc2)c(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 16099421 OFIKEWLZCAZMHA-UHFFFAOYSA-N 441.465 4.301 5 20 IIBD O=C(COC(=O)c1ccc(CN2CCCCC2)cc1)Nc1cc([N+](=O)[O-])ccc1Cl 16402065 IXWLJNSKTDUBBL-UHFFFAOYSA-N 431.876 4.030 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCC(c1ccccc1)c1ccccc1 17910635 AFQFXDCUJLDCBS-UHFFFAOYSA-N 445.475 4.231 5 20 IIBD Cc1cc2oc(=O)cc(COC(=O)c3ccc(Br)c([N+](=O)[O-])c3)c2cc1C 22701410 BZUXGRKVBMRJEQ-UHFFFAOYSA-N 432.226 4.438 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)c1csc(-c2ccc(OC)c(OC)c2)n1 25842255 YWKQCLMHYNAYJY-UHFFFAOYSA-N 430.438 4.101 5 20 IIBD CCOC(=O)c1c(NC(=O)CSc2ccc([N+](=O)[O-])cc2)sc2c1CCSC2 60448246 ZEMPFFNZHHXRGD-UHFFFAOYSA-N 438.552 4.353 5 20 IIBD CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)c2ccc([N+](=O)[O-])s2)nc1C 60855089 QCVHDWQJHHHNKM-UHFFFAOYSA-N 431.495 4.445 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCCOC1CCCC1 60863788 MTZYQEOJZCHWFQ-UHFFFAOYSA-N 449.529 4.165 5 20 IIBD O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 71892186 KRKGTGXUPNTDES-JOCHJYFZSA-N 442.947 4.415 5 20 IIBD CC[C@@H](C)Sc1ccc(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)c(C)c1 109641037 FRWHNIGZRLMPPT-CQSZACIVSA-N 429.498 4.158 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@@H](c1ccc(F)cc1)C1CCCC1 117154499 YNZZINWCXYXBCU-JOCHJYFZSA-N 441.459 4.470 5 20 IIBD O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCCN(Cc2ccc(Cl)cc2)CC1 247291113 AZBBOTJCBJVUOU-UHFFFAOYSA-N 428.920 4.171 5 20 IIBD CN(Cc1nc(O)c2sccc2n1)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 302936337 JIRJRZLMPUZUNR-UHFFFAOYSA-N 436.449 4.370 5 20 IIBD CCN(C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)[C@H](C)c1cc2ccccc2o1 303013253 NFJZELQRGKUMBR-MRXNPFEDSA-N 446.463 4.419 5 20 IIBD C[C@@H]1[C@@H](CO)CCN1C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 427824336 FKLLWOOGQSROLK-LUHQZAGKSA-N 437.521 4.365 5 20 IIBD CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 430432588 AMNXZHKPZWFQNE-AEFFLSMTSA-N 427.309 4.110 5 20 IIBD CCN([C@H](c1cccnc1)c1ccc(F)cc1F)S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] 431909701 RIJCFNWOKUBHLE-OAQYLSRUSA-N 447.463 4.377 5 20 IIBD C[C@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1cccc(OCc2ccccc2)c1 433713891 OHDZSJJGHBNARW-KRWDZBQOSA-N 443.463 4.246 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(C(=O)c2ccc(F)cc2)CC1 434673427 DICILYOXLVTKLB-CYBMUJFWSA-N 433.867 4.309 5 20 IIBD CCOC(=O)c1ccnc(N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c1[N+](=O)[O-] 434944841 YMAVGEAUCBWSJD-JTQLQIEISA-N 430.408 4.026 5 20 IIBD CCOc1cc(NC(=O)C2(OCc3ccccc3)CCOCC2)c([N+](=O)[O-])cc1OCC 435161935 GUJCZDMEEKJDKA-UHFFFAOYSA-N 444.484 4.097 5 20 IIBD CO[C@@H](C)C(=O)Nc1cccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1 436315558 GZIORSAPZNBVIK-ZDUSSCGKSA-N 433.439 4.046 5 20 IIBD Cn1c(C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)cc2cc(C(F)(F)F)ccc21 439190401 ROQYZJMIQSZAIB-UHFFFAOYSA-N 430.346 4.143 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1c1ncc(-c2ccccc2)[nH]1 439199114 FJMKYCPMROJVAH-LJQANCHMSA-N 426.498 4.209 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 439894306 CSUKMGXUBUWTLN-GOSISDBHSA-N 437.399 4.200 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)N(C[C@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F 440416268 NKMUXHZZACHIJB-SFHVURJKSA-N 435.446 4.430 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1 444926234 WNWSQCDSFWYTRJ-UHFFFAOYSA-N 428.272 4.327 5 20 IIBD COc1cccc(NC2CCN(C(=O)c3cccc4c(=O)c5ccccc5[nH]c34)CC2)c1 445006804 VGRDOWPLVLZQIG-UHFFFAOYSA-N 427.504 4.407 5 20 IIBD O=C(c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc2C1 446425162 QAQIOKYFJRWEQE-UHFFFAOYSA-N 434.349 4.137 5 20 IIBD Cc1ccc(OC2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cc1 447018247 SELMSEHOJAMQIU-UHFFFAOYSA-N 444.431 4.154 5 20 IIBD Cc1c(COC(C)(C)C)cccc1NS(=O)(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1C 447398203 QWFDVXHWLWSASC-UHFFFAOYSA-N 436.486 4.026 5 20 IIBD O=[N+]([O-])c1ccccc1CN(c1nnc([C@@H]2CCCO2)n1CCc1ccccc1)C1CC1 460432164 SKEIAWQEZMZVNZ-QFIPXVFZSA-N 433.512 4.450 5 20 IIBD COc1cc(CSc2nnc(N3CCCCC3)n2Cc2ccco2)c([N+](=O)[O-])cc1F 463442195 KCQVZDMSRIPPKE-UHFFFAOYSA-N 447.492 4.258 5 20 IIBD CC(=O)c1ccc(OCCCC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 464638089 KKVCSJAUVBZLEN-UHFFFAOYSA-N 426.469 4.026 5 20 IIBD COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 466291660 VWQCIKRJVKRZGN-UHFFFAOYSA-N 446.412 4.114 5 20 IIBD CN(Cc1cccc(Br)c1OC[C@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])cc1 468043363 USITYKWMXAGOLY-QGZVFWFLSA-N 449.301 4.187 5 20 IIBD COc1cc(OCC(=O)NCC[C@@H](C)c2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] 470006052 LSKPITLIJGBBGM-CYBMUJFWSA-N 426.391 4.311 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N(Cc1cccs1)CC(F)(F)F 470789148 PNEBUFJRMNMLKR-UHFFFAOYSA-N 427.448 4.464 5 20 IIBD Cc1c(COc2ccccc2)cccc1NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 472372931 HOYDCLMSWRFRJM-KRWDZBQOSA-N 433.464 4.239 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cc2I)c1 472891626 CSORMYPTSZQXNK-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 474877538 KEOCFWGPRQZZFS-CHWSQXEVSA-N 438.311 4.282 5 20 IIBD O=C1CCC[C@@H]1[C@@H]1COCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 475125503 SPTYQHBPUIAESQ-AEFFLSMTSA-N 449.301 4.187 5 20 IIBD Cc1nc(NC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] 475304276 PKBBLGYFNPEAJP-HYBUGGRVSA-N 444.491 4.417 5 20 IIBD Cc1nc(NC(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)ccc1[N+](=O)[O-] 475314488 UPMNJBHQGUDPBW-UHFFFAOYSA-N 448.523 4.383 5 20 IIBD C[C@H](NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)c1ncnn1C 475782185 QKHYVMABXBXIND-HNDQUVLASA-N 448.508 4.141 5 20 IIBD C[C@@H](Cc1nc2ccccc2s1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 479243998 BJPGAKLOKLXSMJ-NSHDSACASA-N 434.315 4.257 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCC(=O)N3Cc4ccccc4C3)c([N+](=O)[O-])c2)cc1 480826296 HGFOELAFTSUZCA-UHFFFAOYSA-N 430.464 4.110 5 20 IIBD O=C(CN1CCO[C@@H](c2ccc(F)cc2Cl)C1)Nc1ccc([N+](=O)[O-])cc1Cl 481612807 HKVKZFNWQUQDKW-QGZVFWFLSA-N 428.247 4.053 5 20 IIBD CCCCn1ncc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1C(C)C 482743820 LNVQOZGMGIEYMM-HXUWFJFHSA-N 441.532 4.267 5 20 IIBD CCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 488674020 ZJQJMAMSUPKPJG-UHFFFAOYSA-N 433.711 4.222 5 20 IIBD Cc1ccc([C@H](C)NC(=O)NCCC(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] 489276792 KBAKUXFLHBQSFG-ZDUSSCGKSA-N 449.305 4.055 5 20 IIBD C[C@@H]1CSCCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 490151775 KCIWGCJDEJMFNH-ZDUSSCGKSA-N 433.917 4.326 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)cc1[N+](=O)[O-] 494069677 QZPKCUOCKPWXOJ-KRWDZBQOSA-N 449.511 4.087 5 20 IIBD COC(=O)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c2ccccc21 495055351 CSMYYKGDHQJAJC-FQEVSTJZSA-N 431.448 4.124 5 20 IIBD COc1ccc2c(C)cc3nnc(SCCC(=O)Nc4ccc([N+](=O)[O-])cc4)n3c2c1 498026727 KIICWJFNIGAHHJ-UHFFFAOYSA-N 437.481 4.229 5 20 IIBD Cn1c(SCc2nc(COc3ccc(F)cc3)no2)nc2cc3ccccc3cc2c1=O 498101151 JPGZMHCLBOMHQX-UHFFFAOYSA-N 448.479 4.480 5 20 IIBD CC1CCN(C[C@H]2CCCN(C(=O)Cn3c4ccccc4c(=O)c4ccccc43)C2)CC1 498505970 VIQLOGLUWRSHCK-OAQYLSRUSA-N 431.580 4.125 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 498898271 IAWPQEKFXUZTBM-MRXNPFEDSA-N 433.468 4.402 5 20 IIBD CCCCCn1cc(CNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)c(C)n1 502788059 BKWKTELDOUFXKO-UHFFFAOYSA-N 430.896 4.101 5 20 IIBD COc1c(C)cnc(CN2CCC(N(C)C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)c1C 503508054 DKKIHENLQOKHCT-UHFFFAOYSA-N 441.532 4.052 5 20 IIBD O=C1COc2ccc([N+](=O)[O-])cc2N1Cc1nc(-c2cccc(Oc3ccccc3)c2)no1 504681797 BPKIFPYMPZBUMW-UHFFFAOYSA-N 444.403 4.363 5 20 IIBD CNC(=O)c1ccc(Sc2nnc(-c3ccccc3)n2-c2ccccc2)c([N+](=O)[O-])c1 507109742 FYSRYVFNDAYFNH-UHFFFAOYSA-N 431.477 4.353 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 507995350 YZMPXKAUYDVGGM-ZDUSSCGKSA-N 430.823 4.457 5 20 IIBD O=C(COc1c([N+](=O)[O-])cnc2ccc(Br)cc12)c1ccc2c(c1)CCO2 508158474 CBZKBYZVLBIVMH-UHFFFAOYSA-N 429.226 4.102 5 20 IIBD CCCNC(=O)c1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1Cl 509393968 UVPJIKXKKBKAID-UHFFFAOYSA-N 430.892 4.241 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H](C)c1ccccc1 509510400 WQOICZKKAAIFHB-GFCCVEGCSA-N 438.265 4.384 5 20 IIBD CCOc1cc(C(=O)Nc2ccccc2OC[C@H]2CCCCO2)c([N+](=O)[O-])cc1OC 511367198 MYAKHYBANDRXGX-OAHLLOKOSA-N 430.457 4.202 5 20 IIBD CCOC(=O)c1nnsc1NC(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 512369020 SNUYZNQYFJRRHK-UHFFFAOYSA-N 444.494 4.335 5 20 IIBD CC(C)N1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1=O 513305639 CZOWGUBWJPSIEK-KRWDZBQOSA-N 433.917 4.139 5 20 IIBD O=[N+]([O-])c1cc2c(N3CCCN(Cc4ccc(C(F)(F)F)cc4)CC3)ncnc2s1 517165867 IKJAUCACVSOSOW-UHFFFAOYSA-N 437.447 4.331 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CNc2ccc(-n3ccnc3)c(F)c2)c1 517751011 ACVMXUVHFMBHTO-UHFFFAOYSA-N 438.200 4.136 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)ccc1[N+](=O)[O-] 520732891 VTPRLAWYVCQYQY-YOEHRIQHSA-N 444.557 4.139 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 521637334 KUKBRTBBINEZQC-QGZVFWFLSA-N 429.231 4.263 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N(Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@H](C)[C@@H]1C 523414893 OKAKGVSHPUGTHW-TXPKVOOTSA-N 442.516 4.072 5 20 IIBD CN1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c2ccc(F)cc21 525188435 GPKRJAXUQSFFDR-UHFFFAOYSA-N 434.276 4.076 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N[C@@H]3CCC[C@@H](S(C)(=O)=O)C3)cc2[N+](=O)[O-])cc1 525384062 NRMOJSFBDFMVDB-SJLPKXTDSA-N 448.566 4.140 5 20 IIBD O=C(NCCc1nc2cc(Cl)ccc2s1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 531273853 PQNVCSMISASXRB-UHFFFAOYSA-N 427.873 4.016 5 20 IIBD CN(C)CCn1c(=O)oc2ccc(NCc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)cc21 532728215 IMWQZGWDDKDMBP-UHFFFAOYSA-N 438.509 4.405 5 20 IIBD COc1cc(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)c([N+](=O)[O-])cc1OC(F)F 533966687 DFRVKKUDYPUWND-UHFFFAOYSA-N 428.298 4.271 5 20 IIBD CCOc1cc(C(=O)Nc2ccc3c(c2)nc(C(C)(C)C)n3C)c([N+](=O)[O-])cc1OC 534809477 FIWPZBAHIHDTDV-UHFFFAOYSA-N 426.473 4.439 5 20 IIBD COc1ccc(Oc2ccc(CCNC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)cc2)cc1 535856612 RHROGOCMXRJYIF-UHFFFAOYSA-N 436.420 4.097 5 20 IIBD C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)c1cccc(S(=O)(=O)N(C)C)c1 536389252 AYHCTGWXVSIAMB-OAHLLOKOSA-N 426.498 4.080 5 20 IIBD CCOC(=O)[C@@H](c1ccc(Cl)cc1)N(CC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 540099878 AFSXGALQFHISTA-LJQANCHMSA-N 434.876 4.241 5 20 IIBD C[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccc(F)cc2)cc1 540375194 XMFKYEJGUHKFLF-OAHLLOKOSA-N 436.443 4.276 5 20 IIBD COC(=O)[C@@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(Cl)cc1Cl 541331462 MTLDOHZLWRKKNN-SFHVURJKSA-N 440.283 4.043 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CCNCc1ccc([N+](=O)[O-])cc1Cl 541762993 VNPQXAGCVNWBPN-UHFFFAOYSA-N 426.698 4.438 5 20 IIBD Cc1nccc(NCc2cccc(C(=O)N3CCS[C@@H]3c3ccc([N+](=O)[O-])cc3)c2)n1 543586994 HZYBWOLNJZOTLW-JOCHJYFZSA-N 435.509 4.193 5 20 IIBD CCN([C@H](c1cccnc1)c1ccc(F)cc1F)S(=O)(=O)c1cccc([N+](=O)[O-])c1 544839333 WNJWIILDKBELAF-HXUWFJFHSA-N 433.436 4.068 5 20 IIBD O=C(Nc1ccccc1)N1CCC(c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)CC1 545074143 OBQFQAHAYDTLGG-UHFFFAOYSA-N 446.467 4.461 5 20 IIBD COc1cc(Cc2noc(-c3cc([N+](=O)[O-])cn3C)n2)cc(Cl)c1OCC(F)(F)F 545676330 SJGZNMVHINBWOY-UHFFFAOYSA-N 446.769 4.177 5 20 IIBD CSc1ccc(-c2nc(Cc3ccn(-c4c(F)cccc4F)n3)no2)cc1[N+](=O)[O-] 545825347 IEZTUGPGPFSMKY-UHFFFAOYSA-N 429.408 4.421 5 20 IIBD O=C(Nc1cccc(-c2noc(-c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)n2)c1)c1ccco1 547021502 OTWFXXWYACLNQQ-UHFFFAOYSA-N 442.391 4.343 5 20 IIBD CC(C)OC[C@H]1CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCO1 565633471 OSFQBHCUXQHIHE-GOSISDBHSA-N 434.876 4.307 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)c1Br 569889399 MQYWMEOBVWDHFZ-CQSZACIVSA-N 444.232 4.240 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)Nc2cccc(CCN3CCCC3)c2)cc1[N+](=O)[O-] 572548047 SKOLKBFYBREVGW-UHFFFAOYSA-N 438.528 4.108 5 20 IIBD CC(=O)NCC[C@H]1CCCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 576608278 OUJMHCVIQDNCNI-GOSISDBHSA-N 441.553 4.433 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)c1 583096216 CDYVWRGCXBTGSD-OAHLLOKOSA-N 425.485 4.426 5 20 IIBD Cc1cc(=O)c(C(=O)Nc2ccccc2N2CCCCCC2)nn1-c1ccccc1[N+](=O)[O-] 600861270 KKNDYYODEJJBHG-UHFFFAOYSA-N 447.495 4.082 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NCCc2nc(C)cs2)c([N+](=O)[O-])c1 603552907 QSJAXAUBMYBTEB-UHFFFAOYSA-N 446.554 4.230 5 20 IIBD CCOc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C(C)C)cc1OCC 603709931 ZTCPQHNAVUYIAT-NRFANRHFSA-N 443.500 4.153 5 20 IIBD CC[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(Cl)cc1 604136339 ATUUUYBBECNWPP-CYBMUJFWSA-N 427.791 4.056 5 20 IIBD O=C(Cc1csc(-c2cc(Br)cs2)n1)NCc1cccc([N+](=O)[O-])c1 604470522 HSRKUAVRJGDGLX-UHFFFAOYSA-N 438.328 4.401 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCCC(=O)NCc3ccccc3)c([N+](=O)[O-])c2)cc1 608973535 KMUFZRWGRQZJBP-UHFFFAOYSA-N 432.480 4.274 5 20 IIBD COc1ccc2[nH]cc(CCNC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)c2c1 609584119 ZHFLAUOXKIQVKJ-UHFFFAOYSA-N 436.512 4.294 5 20 IIBD CCOC(=O)c1cc(-c2nc(Cc3nc4cc(F)ccc4s3)no2)cc([N+](=O)[O-])c1 612932240 VLZLKXMFJXOSGX-UHFFFAOYSA-N 428.401 4.161 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](Cn2cnc3ccccc32)C1 614235997 VBUGDTQOITUPRN-DLBZAZTESA-N 432.484 4.468 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccccc1C(=O)Nc1ccc(Cl)cn1 726530380 INZZVDWDQMZCSB-UHFFFAOYSA-N 439.859 4.336 5 20 IIBD CC(C)(C)c1noc(-c2ccccc2C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)n1 726844069 MBSGYCLTNJFBIK-UHFFFAOYSA-N 439.424 4.166 5 20 IIBD CC(=O)[C@H]1CC(C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)=NN1c1ccccc1 727054764 ICTOOZUTAXXGHV-HXUWFJFHSA-N 449.492 4.189 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 727395150 HOSOWLRMQMHXBZ-NRFANRHFSA-N 431.439 4.077 5 20 IIBD CCc1cc2c(COC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])cc(=O)oc2cc1O 728332339 KARSUHDDQCFHDH-NSHDSACASA-N 447.827 4.133 5 20 IIBD C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 728341418 XXJXLLZVNLXCOI-UONOGXRCSA-N 437.477 4.241 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)[C@@H](C(C)C)S(=O)(=O)C1CCCCC1 729119314 LPHHOSYECYYFHB-HXUWFJFHSA-N 441.546 4.197 5 20 IIBD C[C@H](OC(=O)c1ccc(Cl)c(Cl)c1O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 730360490 IHIRONOQYDIASQ-ZETCQYMHSA-N 433.631 4.445 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 731054831 IRRJQYAFXXEUKU-HXUWFJFHSA-N 441.484 4.443 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 731834129 UQLBQIZNKKDRLE-QFIPXVFZSA-N 443.931 4.434 5 20 IIBD COC(=O)[C@@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])Cc1cccc2ccccc12 733178997 WLVYURFEJXGGLY-MRXNPFEDSA-N 426.856 4.163 5 20 IIBD COc1cc(C(=O)OCc2ccc(Cl)cc2[N+](=O)[O-])c([N+](=O)[O-])cc1OC(F)F 734885583 DAQDXEMGCIOLIT-UHFFFAOYSA-N 432.719 4.123 5 20 IIBD C[C@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 737803967 GBFACAODWHIEHY-HTAPYJJXSA-N 433.464 4.440 5 20 IIBD Cc1ccc([C@@H](C)C(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)o1 742471533 RODQUFXDPSYCOO-OAHLLOKOSA-N 443.481 4.348 5 20 IIBD CC(C)[C@H](OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)Nc1ccccc1Cl 743123251 OLGQLLWSJVLNTB-IBGZPJMESA-N 442.859 4.254 5 20 IIBD CCN(CC1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1)C(=O)OC(C)(C)C 744716572 YLKGPGZNRKUDII-UHFFFAOYSA-N 425.913 4.357 5 20 IIBD O=C(CCC[S@@](=O)c1ccc(Br)cc1)OCc1ccc([N+](=O)[O-])cc1F 746985114 GTLLQQDRRKWSIM-AREMUKBSSA-N 444.278 4.128 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F 751414637 YXXKYDRTQYZNCQ-INIZCTEOSA-N 437.201 4.010 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NCC[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1[N+](=O)[O-] 753818273 OAPAEHHHBYCUQY-QAPCUYQASA-N 428.489 4.016 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 754474394 GBDHITGZPOYTKD-UHFFFAOYSA-N 430.461 4.451 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)OCc1ccc(Cl)c([N+](=O)[O-])c1 755325908 SUAKHXYDKRSUIM-UHFFFAOYSA-N 429.610 4.205 5 20 IIBD C[C@@H](OC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 755763099 PMWCXNZMIOTPQH-ACJLOTCBSA-N 447.285 4.153 5 20 IIBD CS(=O)(=O)c1cc(C(=O)O[C@H]2CCc3c(Cl)cc(Cl)cc32)cc([N+](=O)[O-])c1 759606779 SDLHAJLRLHSWGB-INIZCTEOSA-N 430.265 4.149 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)N1CCCC2(C1)OCCO2 759638517 NFIDYVGBSXOSIK-UHFFFAOYSA-N 434.901 4.379 5 20 IIBD COc1ccc(NC(=O)CN2CCC[C@@H]2c2c(C)nn(CC(C)C)c2Cl)c([N+](=O)[O-])c1 759772263 HLYJHGNIGGDDNK-QGZVFWFLSA-N 449.939 4.193 5 20 IIBD CC(C)(C)C(=O)N1CCC(COC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 762880418 GUWQNXKNBBCRTB-UHFFFAOYSA-N 431.514 4.160 5 20 IIBD CCOC(=O)Nc1ccc(Br)cc1NC(=O)c1cc(OC)ccc1[N+](=O)[O-] 764536668 GWHYYMDFVQJGDG-UHFFFAOYSA-N 438.234 4.187 5 20 IIBD CC(=O)[C@@H](Cc1ccc(F)c(F)c1F)OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 768790013 GAHFVPVPUWVBJA-CQSZACIVSA-N 435.276 4.388 5 20 IIBD Cc1nn(CC(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1-c1ccccc1 769327994 FUFUGAJRXFTRPI-HNNXBMFYSA-N 433.424 4.121 5 20 IIBD CC[C@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@@H]1NC(=O)OC(C)(C)C 769486603 UYJDXNGPROXISO-JXFKEZNVSA-N 443.548 4.121 5 20 IIBD O=C(OCCNc1ccc(C(F)(F)F)cn1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 770621720 VYBZAAAATZEMAX-UHFFFAOYSA-N 438.387 4.401 5 20 IIBD COc1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1NC(=O)c1csc([N+](=O)[O-])c1 770655472 IOFUBSOSRICHBC-UHFFFAOYSA-N 448.438 4.139 5 20 IIBD COc1cccc(NC(=O)c2ccccc2NC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)c1 771505153 YBOOCMAHHMXATD-UHFFFAOYSA-N 449.448 4.113 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCC[C@H](C[C@H]3CCOC3)C2)c1=S 773258656 HXJSIZLDNWETPM-IAGOWNOFSA-N 431.562 4.105 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cn(-c3ccc(Br)cc3)nc1C)CC2 773993979 SJAUVDHCLQYEHF-UHFFFAOYSA-N 441.285 4.363 5 20 IIBD COc1ccc(OCC(=O)O[C@@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])cc1 774366434 JTBFXEVCJFPKDB-SFHVURJKSA-N 438.274 4.176 5 20 IIBD C[C@@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(OCC(F)(F)F)cc1 775216033 FHPVNHHCZRPEEL-LLVKDONJSA-N 431.798 4.479 5 20 IIBD O=C(OCCNc1ccc(-c2ccccc2)nn1)c1ccc2[nH]c3ccccc3c(=O)c2c1 781508625 SYNUILHTCKQCKO-UHFFFAOYSA-N 436.471 4.407 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 781606851 PIDXGIQZMXNVFV-QWRGUYRKSA-N 443.300 4.025 5 20 IIBD C[C@H](OC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nnc(-c2cccc(Cl)c2)o1 784629673 WZWCPRWDXFBOEM-NSHDSACASA-N 446.803 4.443 5 20 IIBD O=C(COC(=O)c1ccc(COc2ccc(F)cc2)o1)Nc1cc([N+](=O)[O-])ccc1Cl 792353355 VIEGBFQMMQZHKY-UHFFFAOYSA-N 448.790 4.355 5 20 IIBD CC1(C)C[C@@H](NCc2ccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)c2cc([N+](=O)[O-])ccc21 793569532 UCMZGQZJQHLGBG-BWKNWUBXSA-N 448.523 4.332 5 20 IIBD CCOc1ccc(NCc2ccc(C)c([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCCCC1 796405471 ZOBAWDOZZAQDCC-UHFFFAOYSA-N 433.530 4.089 5 20 IIBD CC(C)O[C@@H](C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 796413619 KHHUAXHURCUYKV-GOSISDBHSA-N 440.374 4.262 5 20 IIBD CC[C@@H](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccccc1OCC(=O)NC 809970620 GRQGYFUQTAPLRN-MRXNPFEDSA-N 426.300 4.267 5 20 IIBD CN(CCC1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1)C(=O)OC(C)(C)C 814121450 AQSKSJDAPXHKCQ-UHFFFAOYSA-N 433.549 4.368 5 20 IIBD CN(C[C@H]1CCCO[C@@H]1c1ccccc1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] 815007302 RDSBVYAOGIUBJA-AUUYWEPGSA-N 442.896 4.176 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCCN(C(=O)NC2CCCC2)C1 815240776 PSKXSQOWNYEUFU-ZDUSSCGKSA-N 443.422 4.021 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 815512545 ZRGDBIADRMLZGZ-LLVKDONJSA-N 426.347 4.115 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Br)c1Cl 821116656 SWMWIDHQOUQECE-UHFFFAOYSA-N 426.075 4.465 5 20 IIBD CCOC(=O)c1cc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c2ccccc2n1 821647797 OEPBZYBOBWXNQE-CYBMUJFWSA-N 425.466 4.439 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2c[nH]c3ccc(Br)cc23)cccc1[N+](=O)[O-] 857830458 GZLZFQMMEASWGO-LLVKDONJSA-N 446.257 4.331 5 20 IIBD COC(=O)c1ccc(OC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c(Br)c1 863926791 HGGVOXRVASCNII-SNVBAGLBSA-N 440.271 4.230 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1[N+](=O)[O-] 871595630 DCVPWHXOHUJWFV-UHFFFAOYSA-N 448.435 4.036 5 20 IIBD COc1cc(C(=O)Nc2sc(C)c(-c3ccccc3)c2C(N)=O)c([N+](=O)[O-])cc1OC 913193501 NLJYBOAAMBZQKF-UHFFFAOYSA-N 441.465 4.000 5 20 IIBD Cc1cccc(C(=O)OCC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)c1[N+](=O)[O-] 916407003 QWIFILWPPOLOJX-INIZCTEOSA-N 439.449 4.092 5 20 IIBD CC(C)Oc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 917902488 AEKHTLBZCOOIAT-GFCCVEGCSA-N 443.319 4.184 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccco2)c2ccccc2)cc1Br 918158560 YCKBDGFOFQEPDU-UHFFFAOYSA-N 437.271 4.346 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)Cc2ccc3c(c2)OCO3)c2ccccc2)c([N+](=O)[O-])c1 919642395 LZNSHMOJJGHPJE-QHCPKHFHSA-N 448.431 4.098 5 20 IIBD CN(C(=O)c1ccccc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCCC1 921283091 UUGGRQSOZJEQQB-UHFFFAOYSA-N 447.495 4.438 5 20 IIBD C[C@@H](COc1ccccc1F)NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 1115885714 YRGVVQLNRNGRCU-JKSUJKDBSA-N 438.459 4.499 5 20 IIBD Cc1ccc(/C(O)=C(/C(=S)NCC2CCC2)[n+]2cc(O)cc(Cl)c2)cc1[N+](=O)[O-] 1323064364 ATAASIJPMLHLFQ-UHFFFAOYSA-O 434.925 4.151 5 20 IIBD COc1ccc(CSCC(=O)N2CCO[C@@H](c3ccc(Cl)s3)C2)cc1[N+](=O)[O-] 1330155967 BKQVABYVWZTKEX-OAHLLOKOSA-N 442.946 4.152 5 20 IIBD C[C@H]1CCCN(C(=O)CCNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 1517274976 IBUVCHJEMZAXFX-INIZCTEOSA-N 426.473 4.157 5 20 IIBD C[C@H](C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])o3)cc2)CCC1)n1cccc1 1786208250 RKKXHCUOTIAQIC-QXLXQBSBSA-N 448.479 4.398 5 20 IIBD Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(F)c4[N+](=O)[O-])CCC3)cc2)n1 1787324575 MWARHMDFIREOPV-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)Cc4ccc(C)c([N+](=O)[O-])c4)cc3)CCC2)on1 1790525970 FQGPYYCHJPEKSP-UHFFFAOYSA-N 448.479 4.190 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)Cc4ccc(C)c([N+](=O)[O-])c4)cc3)CCC2)no1 1790526407 XIJVOJQELIQMIO-UHFFFAOYSA-N 448.479 4.190 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1ccc(C2(NC(=O)c3ccco3)CCC2)cc1 1791183670 CPBXSHRLQLWRJN-UHFFFAOYSA-N 437.427 4.317 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(C2(NC(=O)[C@H]3CCCCO3)CCC2)cc1 1792315482 RRSHKOPQKCHYME-UBLKFNIESA-N 449.507 4.311 5 20 IIBD CC1(C)CC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4cc([N+](=O)[O-])ccc4s2)C3)C1 1802438190 NCNVPOKEUPZNQY-BJWYYQGGSA-N 441.553 4.498 5 20 IIBD CC1(C)CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(F)cc([N+](=O)[O-])c3)[nH]n2)C1 1822476181 ZUVFGDRJTXGZAM-SFHVURJKSA-N 443.479 4.199 5 20 IIBD O=C([C@H]1CC=CCC1)N1CCC([C@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1823680216 VMWJMSMRMMQHHM-JTHBVZDNSA-N 439.556 4.113 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC([C@H]2CCCCN2C(=O)C2(F)CCC2)CC1 1832507248 OMRIFJKKVXDTDG-SQUSKLHYSA-N 443.519 4.120 5 20 IIBD Cc1cc(OCC(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1Cl 11165699 QUIXKTGCJIVDAJ-NSHDSACASA-N 427.240 4.159 5 20 IIBD NC(=O)c1ccc(COC(=O)c2cn(Cc3ccccc3)c3ccccc23)c([N+](=O)[O-])c1 16551084 NYVMFUAUMMUKNZ-UHFFFAOYSA-N 429.432 4.054 5 20 IIBD Cc1ccc(F)cc1NC(=O)[C@H](C)OC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 21752978 VUMFONALUQNYKR-NSHDSACASA-N 443.353 4.043 5 20 IIBD COc1cc(CNc2cc3[nH]cnc(=O)c3cc2[N+](=O)[O-])ccc1OCc1ccccc1 30635104 UVWZFSZAURGFMG-UHFFFAOYSA-N 432.436 4.031 5 20 IIBD O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1Cl 58142826 FHGSRZBYLMKGMH-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD CNC(=O)c1ccc(N(C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)c([N+](=O)[O-])c1 64915042 WJYGMGVTRHONKB-UHFFFAOYSA-N 425.407 4.149 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 105643440 WAEKAMWIZIBPNG-UHFFFAOYSA-N 438.463 4.160 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 106031098 QRNFVFFIBWEALS-HNNXBMFYSA-N 438.267 4.154 5 20 IIBD O=[N+]([O-])c1ccc(N[C@@H]2CCSc3ccc(F)cc32)c(S(=O)(=O)N2CCCC2)c1 247312186 ITWTWRUOKUERGA-MRXNPFEDSA-N 437.518 4.167 5 20 IIBD O=[N+]([O-])c1ccc(N2CCCN(c3nnc(C(F)(F)F)s3)CC2)cc1C(F)(F)F 302704392 JGXIDYCKVBXIHB-UHFFFAOYSA-N 441.357 4.201 5 20 IIBD O=C(NCc1ccc(OCc2ccccc2)cc1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 303481083 PXEJFJQYSSPVMM-UHFFFAOYSA-N 429.432 4.358 5 20 IIBD Cc1cccc(C(=O)NCCSCCOc2cccc(Br)c2)c1[N+](=O)[O-] 303544980 ZCZOBIPGSPXJTC-UHFFFAOYSA-N 439.331 4.208 5 20 IIBD COc1ccc(S(=O)(=O)Nc2nc3c(s2)C[C@H](c2ccccc2)CC3)c([N+](=O)[O-])c1 409573438 APOGHTPQJJLSPV-CQSZACIVSA-N 445.522 4.133 5 20 IIBD CN1CCC(N(Cc2ccccc2Br)C(=O)c2ccc([N+](=O)[O-])cc2)CC1 426778095 UKYHXRCVCKCOQH-UHFFFAOYSA-N 432.318 4.094 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 429340338 HYGVXLKJGKRZLB-UHFFFAOYSA-N 442.946 4.084 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@H](C)c2ccccc2Cl)cc(Br)cc1[N+](=O)[O-] 430329327 GZKMXUZGNHJJHA-SNVBAGLBSA-N 440.681 4.135 5 20 IIBD Cc1c(C(=O)N2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)sc2ccccc12 435060217 KLPJPPAJJQKZEU-UHFFFAOYSA-N 436.493 4.217 5 20 IIBD O=[N+]([O-])c1cc2c(c(CSCc3ccc(I)cc3)c1)OCOC2 437431206 JZYDJGCVIMOHSZ-UHFFFAOYSA-N 443.262 4.499 5 20 IIBD CCCOc1ccc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1Cl 438662399 CUIJWYUNMBBPQY-UHFFFAOYSA-N 433.892 4.413 5 20 IIBD CCOC(=O)c1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 439232818 FVLHQAUAAGVBIY-UHFFFAOYSA-N 440.477 4.167 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2nc(C)c(C)s2)c([N+](=O)[O-])c1 439708003 YDZQPBZFWULSOB-UHFFFAOYSA-N 446.554 4.495 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1CCC(c2ccccc2)CC1 439717423 FMYCWKUNOTULLR-UHFFFAOYSA-N 425.485 4.022 5 20 IIBD C[C@@H]1OCC[C@@]12CN(C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])C[C@@H](C)O2 442807246 DSCSOUZXIVZOIF-ZMPRRUGASA-N 428.510 4.155 5 20 IIBD C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 444299468 VKESKXIQVUMLLL-MOPGFXCFSA-N 425.532 4.416 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccco2)c2ccccc2)c(Br)c1 447008831 WHKZYQQTNITVLI-UHFFFAOYSA-N 437.271 4.346 5 20 IIBD O=C(Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 461236833 DKKSSSGKFYKLSZ-UHFFFAOYSA-N 443.341 4.305 5 20 IIBD Cc1c(CNc2cccc(S(=O)(=O)N3CCc4sccc4C3)c2)cccc1[N+](=O)[O-] 462207585 GKHNLOJMWSLQNB-UHFFFAOYSA-N 443.550 4.324 5 20 IIBD COc1ccc([N+](=O)[O-])c(N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)c1 462797549 GZIKWTNCDPKVFT-UHFFFAOYSA-N 428.489 4.188 5 20 IIBD CNc1c(C(=O)Nc2cccc(CS(=O)(=O)Cc3ccccc3)c2)cccc1[N+](=O)[O-] 462995120 VPDITVJSUCJMHM-UHFFFAOYSA-N 439.493 4.004 5 20 IIBD COC(=O)c1cccc(NC2CCN(C(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)CC2)c1 463958318 NQLXWHAQVGNRQB-UHFFFAOYSA-N 426.473 4.107 5 20 IIBD CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 465261699 CQUVRRRLEKSJFB-UHFFFAOYSA-N 426.450 4.433 5 20 IIBD Nc1c(C(=O)N2CCCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)cccc1[N+](=O)[O-] 468733934 NIIGZOCGOSJKSU-MRXNPFEDSA-N 437.283 4.117 5 20 IIBD COc1ccc(CN(CCc2ccccn2)C(=O)NCc2cccc([N+](=O)[O-])c2C)cc1 474686478 KDTORJALUHSLIZ-UHFFFAOYSA-N 434.496 4.261 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN(CCO)[C@@H]2CCCSC2)cc1 475511955 UVVVCONFVVRQJY-JOCHJYFZSA-N 438.553 4.137 5 20 IIBD COc1c(C)cnc(CN(C)C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1C 476177539 XNKNLJSFZHPABQ-HZPDHXFCSA-N 440.544 4.370 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1nc2ccccc2n1CCCc1ccccc1 476252539 HIZYJKAZIRVMLJ-UHFFFAOYSA-N 432.484 4.111 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CNc3cc(Cl)ccc3N3CCC(CO)CC3)n2)c1 477546495 RWZUCWFKWDDPHE-UHFFFAOYSA-N 443.891 4.119 5 20 IIBD CC[C@H](O)CCNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 478908505 ZWEVQLFELNBPLO-ZUTYSQTGSA-N 425.510 4.412 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3C[C@@H](C)O[C@]4(CCCOC4)C3)cc2[N+](=O)[O-])cc1 482967489 YJHFGXRMQOHBHD-UZUQRXQVSA-N 442.537 4.465 5 20 IIBD Cc1cc(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)c(=O)n(C)c1 484839099 ZYLHJQIMJXUZHJ-UHFFFAOYSA-N 426.860 4.120 5 20 IIBD CC[C@@H](C)n1ncc(NC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C 485364568 UIJFYMFYIDHTNQ-LLVKDONJSA-N 428.415 4.323 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccn(-c2ccc(F)cc2F)n1 486715462 WQOXXZRYAZQSMH-UHFFFAOYSA-N 426.301 4.008 5 20 IIBD COc1ccc(CCN(Cc2ccsc2)C(=O)Cc2ccc([N+](=O)[O-])cc2)cc1OC 488324630 JTHFHKKQZDMLFK-UHFFFAOYSA-N 440.521 4.488 5 20 IIBD Cc1ccc(C)c([C@H](C)N(C)S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 488825201 QCFGOYKASUNTMO-ZDUSSCGKSA-N 427.320 4.356 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1[N+](=O)[O-] 489272110 TVNVVIHNVRYCKT-LSDHHAIUSA-N 425.489 4.309 5 20 IIBD CCC(CC)(C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C)c1ccc(OC)c(OC)c1 489760297 QFSYKCVWRKRKTP-UHFFFAOYSA-N 444.484 4.404 5 20 IIBD COc1c(F)cc(S(=O)(=O)N2CC=C(c3c(C)[nH]c4ccccc34)CC2)cc1[N+](=O)[O-] 490648837 GVKXWSANRBAIHZ-UHFFFAOYSA-N 445.472 4.010 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N(C)[C@H]2CCN(c3ccccc3Cl)C2=O)cc1[N+](=O)[O-] 493266050 ZCKOPBOWDMXSSN-KDOFPFPSSA-N 430.892 4.065 5 20 IIBD O=C(Nc1ccc(OCc2noc(C3CC3)n2)cc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 499694407 BYLYTAYUXHZEHS-UHFFFAOYSA-N 435.440 4.261 5 20 IIBD Nc1cccc([N+](=O)[O-])c1C(=O)N1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 500010629 SMIXKDJNWFGTLB-UHFFFAOYSA-N 449.442 4.159 5 20 IIBD CCCCOc1ccc([C@@H](C)NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1OC 501465256 DKGZYCVSRXXSIR-CQSZACIVSA-N 430.457 4.045 5 20 IIBD CCOc1cc(C(=O)N2CCC(Oc3ccc(C)c(C)c3)CC2)c([N+](=O)[O-])cc1OC 501658714 WNVUXISKIWSZDV-UHFFFAOYSA-N 428.485 4.303 5 20 IIBD O=C(N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1n[nH]c2ccc([N+](=O)[O-])cc12 504331575 YQOUPJGATANCJP-CQSZACIVSA-N 430.289 4.106 5 20 IIBD CC(=O)NCCN(C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccc(Br)s1 504545361 IXVXHRUNSKBIAE-GQCTYLIASA-N 438.347 4.070 5 20 IIBD CCOc1ccc([C@H](C)NCC(=O)N2CCC(Cc3ccccc3)CC2)cc1[N+](=O)[O-] 504925982 GDBUIWSQNVLBML-SFHVURJKSA-N 425.529 4.125 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(-c3ccc(NS(=O)(=O)c4cccs4)cc3)n2)c1 505007993 FARXOPWMBABVBN-UHFFFAOYSA-N 428.451 4.174 5 20 IIBD COc1cc(CN2CCCN(Cc3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1OC(F)F 506280466 JDLNRXKCKVWCHI-UHFFFAOYSA-N 439.434 4.052 5 20 IIBD COc1ccccc1CN(Cc1cccs1)S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] 507525037 CCXUVFUWSAUQGD-UHFFFAOYSA-N 432.523 4.364 5 20 IIBD C[C@@H](NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1ccc(F)c(Br)c1 507690979 NXXNKIXBINRQHU-SECBINFHSA-N 434.221 4.241 5 20 IIBD O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 509775582 WAKVMXHACRZKRS-UHFFFAOYSA-N 442.357 4.237 5 20 IIBD C[C@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(NC(=O)NC2CC2)cc1 515757812 PNOXVRJEVQQVQJ-QWHCGFSZSA-N 445.907 4.210 5 20 IIBD O=C(NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1cc(F)cc([N+](=O)[O-])c1 517562051 XVNXKIHJJIHZPJ-UHFFFAOYSA-N 426.275 4.435 5 20 IIBD CC(=O)N1CCC(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 517832222 ACTKWKSTKHGWDS-UHFFFAOYSA-N 431.876 4.029 5 20 IIBD Cc1ccc(CN(C(C)C)S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)s1 518199958 JWFLQMKWNNCNIX-UHFFFAOYSA-N 433.349 4.327 5 20 IIBD O=C(Nc1ccc(Br)cc1Cl)N1CCOc2ccc([N+](=O)[O-])cc2C1 518443609 KSFYHACPVUXPNE-UHFFFAOYSA-N 426.654 4.437 5 20 IIBD Cc1ccc(C(=O)C2CCN(c3ccc(C(=O)c4nccn4C)cc3[N+](=O)[O-])CC2)c(C)c1 518845927 MJIMFBGWVKTYLD-UHFFFAOYSA-N 446.507 4.275 5 20 IIBD COc1ccc(CC(=O)Nc2nnc(-c3cccc(Br)c3)s2)cc1[N+](=O)[O-] 518921299 QNFTZGMFISAWMD-UHFFFAOYSA-N 449.286 4.066 5 20 IIBD Cc1noc(C)c1CSc1ccccc1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 520270586 YYWAQLYKFOZDSR-UHFFFAOYSA-N 427.482 4.301 5 20 IIBD COc1cc(C(=O)Nc2nc3cc(F)c(F)cc3s2)c([N+](=O)[O-])cc1OC(F)F 521873155 SEKGRRSDYDKHRP-UHFFFAOYSA-N 431.323 4.345 5 20 IIBD CC[C@H](c1ccccc1)c1nnc(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)s1 521899801 RZKAWSOCMMTWBK-QGZVFWFLSA-N 427.486 4.189 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC[C@H]1c1ccc(Br)cc1 531445032 XCQMAHRIWSQWBQ-AWEZNQCLSA-N 429.267 4.022 5 20 IIBD COc1ccc([C@@H]2CCCN2C(=O)CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1OC 532927589 DOHVFTSEXKLLEZ-NRFANRHFSA-N 441.528 4.186 5 20 IIBD Cn1c([C@H]2CCCCN2CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])nc2ccccc21 533524957 YBMZBVOIHRLVQA-GOSISDBHSA-N 427.892 4.301 5 20 IIBD Cn1c(Sc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)nnc1[C@H]1COc2ccccc2O1 534144797 KQTGKCWDFSFCLW-GOSISDBHSA-N 447.476 4.449 5 20 IIBD Cc1ccc([C@@H](OC[C@H](O)Cn2cc(Br)c([N+](=O)[O-])n2)c2ccccc2)cc1 535120847 MEVDDWOEIRJIRM-MJGOQNOKSA-N 446.301 4.029 5 20 IIBD CCN(C(=O)[C@@H](C)[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCCC1 535512086 WRCOGIQTXGKASS-DHMKHTPVSA-N 433.530 4.068 5 20 IIBD O=C1NC2(CCCCC2)C(=O)N1Cc1ccccc1CNC/C=C/c1ccccc1[N+](=O)[O-] 537299574 HCFYDNWGUIFKLW-XYOKQWHBSA-N 448.523 4.153 5 20 IIBD O=C(C[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccccc1 537556112 PWDICQIHTWLLEZ-CQSZACIVSA-N 442.415 4.040 5 20 IIBD CCc1nn(C)c(OC)c1CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 537863719 GXAFUOXSIKBLGH-UHFFFAOYSA-N 449.305 4.212 5 20 IIBD C[C@@H](C(=O)Nc1cnn(-c2ccccc2Br)c1)c1ccc([N+](=O)[O-])cc1F 541601333 YZGDCDXQEUJDES-LLVKDONJSA-N 433.237 4.424 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H](c2nnc3n2CCCCC3)C1 542336323 UKZXMHWOMYQIJL-CQSZACIVSA-N 449.964 4.064 5 20 IIBD Cc1ccc(-c2noc([C@H](C)N[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)n2)cc1F 542610335 KRDHWHQBEUMSFO-KGLIPLIRSA-N 427.436 4.079 5 20 IIBD COc1ccc(-n2ccnc2S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c(C)c1 544075141 CGUBUGOPDLRXIF-AWEZNQCLSA-N 442.497 4.225 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1 544412571 ZQJWZMUENAFFRK-AWEZNQCLSA-N 440.769 4.296 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(CCCOc3cccc4ccccc34)no2)ccc1-n1cncn1 544750222 LYTPCWUUROZAHC-UHFFFAOYSA-N 442.435 4.390 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(Cc3noc([C@@H]4COc5ccc(Br)cc54)n3)c2c1 545073732 MIUMPOQVJSWPIZ-OAHLLOKOSA-N 441.241 4.337 5 20 IIBD O=[N+]([O-])c1cccc(Cc2nc(Cc3cc(Br)c4c(c3)OCCCO4)no2)c1 546383269 IRKQXJDSPCSOTR-UHFFFAOYSA-N 446.257 4.083 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 547372285 YNLUQWVBMKNDGH-UHFFFAOYSA-N 440.477 4.220 5 20 IIBD O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2nc3cc(C(F)(F)F)ccc3s2)CC1 549302676 HDSITFZPIIEZTL-UHFFFAOYSA-N 436.415 4.186 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1N1CCC(CO)CC1 550655657 PMRSWZIWVCEPBY-UHFFFAOYSA-N 448.317 4.127 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@](C)(Cc1ccccc1)[C@@H](C)O 552175994 TUDOMZWEALIZBJ-JLTOFOAXSA-N 435.318 4.025 5 20 IIBD Cc1ccccc1[C@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C(C)C 556560320 FIKVZJGTCFICHP-QGZVFWFLSA-N 434.290 4.118 5 20 IIBD C[C@@H](CN[C@H](c1cccc([N+](=O)[O-])c1)c1nccn1C)Oc1ccc(Br)cc1 556870722 IKWAUJCHTPIVJQ-IFXJQAMLSA-N 445.317 4.237 5 20 IIBD O=C1[C@H](Nc2nc(O)c3cc([N+](=O)[O-])ccc3n2)CCCN1c1ccc(Cl)cc1Cl 557427177 VIMRXMBBNOJNFJ-OAHLLOKOSA-N 448.266 4.158 5 20 IIBD COC1(CNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)CCC(c2ccccc2)CC1 557939865 DCDHLNWCPJREAS-UHFFFAOYSA-N 444.553 4.152 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)c1 558829506 PIKZJFBAVFQTSC-INIZCTEOSA-N 435.883 4.180 5 20 IIBD CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 564740258 JOOIIZOLSVVPGH-UHFFFAOYSA-N 436.303 4.218 5 20 IIBD C[C@H](C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)c1cccc([N+](=O)[O-])c1 577697537 RVCQDMFVRCLAHU-SJCJKPOMSA-N 436.295 4.317 5 20 IIBD CC[C@@]1(CNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)OCCc2ccccc21 579902190 WFZYZYMUKOWMKE-QFIPXVFZSA-N 440.887 4.084 5 20 IIBD COC(=O)C[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(OC(F)(F)F)cc1 583908741 HHMRENLDRVLDAZ-YVEFUNNKSA-N 440.374 4.018 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3cncnc3-c3ccccc3)n2)c(Br)c1 589133787 PHQGEQRUCMIVDJ-UHFFFAOYSA-N 438.241 4.455 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@@H]2CCOC2)cc1 590515667 ZODIGGOQXGPRJH-OAHLLOKOSA-N 430.482 4.006 5 20 IIBD CCOc1cc(NC(=O)N2CCCO[C@@H](c3ccccc3)C2)c([N+](=O)[O-])cc1OCC 609252332 PXMRQJPAXQCJJZ-OAQYLSRUSA-N 429.473 4.388 5 20 IIBD CS(=O)(=O)Cc1c(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)oc2ccccc12 609860536 ZKFNWQRIABGAID-UHFFFAOYSA-N 442.493 4.475 5 20 IIBD CC[C@@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)C(C)(C)c1ccccc1 610177530 SJMZYNCIYCHJKD-HXUWFJFHSA-N 425.485 4.156 5 20 IIBD CCSCc1cccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1 610179970 PNLWMMQVGOHFFV-UHFFFAOYSA-N 429.527 4.380 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 610500451 MALHFTZZMHKIMV-GDNZZTSVSA-N 448.385 4.399 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1 610661074 BRTKAISIFLKDJT-UHFFFAOYSA-N 432.480 4.355 5 20 IIBD O=[N+]([O-])c1ccc2ncnc(Sc3nnc(-c4ccncc4)n3-c3ccccc3)c2c1 611702479 OEPBZVWUVHFMFF-UHFFFAOYSA-N 427.449 4.332 5 20 IIBD CCOC(=O)CC[C@H]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 614860416 UIQVTRRWGRYMQP-CQSZACIVSA-N 442.462 4.155 5 20 IIBD O=C(Nc1ccc(F)c(-c2nc[nH]n2)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 647637456 ZGHUDHBQOIWRCI-UHFFFAOYSA-N 435.365 4.136 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c(N)c([N+](=O)[O-])c1 727901546 ZUSFSCVCONCAKA-UHFFFAOYSA-N 432.647 4.241 5 20 IIBD Cc1c(C(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 729382436 KAMZHCATPVTMJB-UHFFFAOYSA-N 446.313 4.046 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)C(C)(C)c1ccc(OCC(C)C)cc1 730875786 XIVKZFGZASXUAF-UHFFFAOYSA-N 428.485 4.398 5 20 IIBD CN(C[C@H](O)COc1ccccc1C(F)(F)F)c1nc2ccc([N+](=O)[O-])cc2s1 731208709 GDYFTFFKXJJMAF-LBPRGKRZSA-N 427.404 4.099 5 20 IIBD O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1OCc1ccccc1 731504080 LGTHYGDGERMHRG-QFIPXVFZSA-N 432.432 4.136 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC[C@@H](C)c1c(Cl)cccc1Cl 731626573 ZYGQNNOQYDFQJA-LLVKDONJSA-N 441.267 4.021 5 20 IIBD O=C(/C=C\C1CCOCC1)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 732691388 HRDFKDWKUJELAM-DFOOEPSASA-N 444.871 4.454 5 20 IIBD CNC(=O)c1ccc(CN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C2CC2)cc1 733185174 LVDIRXZZKSAWRP-UHFFFAOYSA-N 429.476 4.354 5 20 IIBD COc1ccc([C@H]2[C@H](COC(=O)c3cc(SC)c(OC)cc3[N+](=O)[O-])CCN2C)cc1 735906967 ZTUHNUGMQXZBGC-BTYIYWSLSA-N 446.525 4.184 5 20 IIBD CC1CCN(c2ccc(C(=O)OCc3nnc(-c4cccc(F)c4)o3)cc2[N+](=O)[O-])CC1 741830262 LEUMUDIOWKPVKG-UHFFFAOYSA-N 440.431 4.377 5 20 IIBD Cc1ccc([C@@H](NCc2cc(F)ccc2[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 742264324 YNFPEOPGUJBXOD-JOCHJYFZSA-N 428.485 4.325 5 20 IIBD Cc1c(Cl)cccc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 744562746 RULKIUVQKJGBOL-AWEZNQCLSA-N 431.876 4.341 5 20 IIBD CCN(CC1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1)C(=O)OC(C)(C)C 745988024 OAZWKJIVXAQATD-KRWDZBQOSA-N 448.564 4.199 5 20 IIBD Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1 746327380 HVYQBGRULPXCEO-UHFFFAOYSA-N 445.357 4.439 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OC1CCN(c2nncc3ccccc23)CC1 747785269 ZBFVBENRXFEZHW-HNNXBMFYSA-N 438.509 4.231 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1nc2c(s1)CCCC2 748304164 VPFCKHNWLVATLL-UHFFFAOYSA-N 431.461 4.357 5 20 IIBD Cc1c(C(=O)Nc2nc(COc3ccccc3)cs2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748606503 IGTRGRGHBQJLFQ-UHFFFAOYSA-N 428.426 4.408 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OC[C@@H]2CCCN(C(=O)c3ccccc3)C2)cc1SC 749074556 QZMUQYJIYMNKCO-OAHLLOKOSA-N 444.509 4.035 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])s1)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 750109800 NVMXQHHRTGZUFI-LLVKDONJSA-N 445.478 4.154 5 20 IIBD COc1cc(/C=C/c2ncc(/C=C\C(=O)O)s2)c([N+](=O)[O-])cc1OCC(F)(F)F 751041701 ZSVHXWBSLWMXRD-HZDAAVBUSA-N 430.360 4.269 5 20 IIBD COc1cc(COC(=O)c2cc([N+](=O)[O-])ccc2Br)ccc1OC(F)F 751073264 UXWIMOSSCWUXRT-UHFFFAOYSA-N 432.173 4.324 5 20 IIBD C[C@@H](OC(=O)c1c(F)ccc([N+](=O)[O-])c1F)C(=O)Nc1nc(-c2ccccc2)cs1 752568912 VKHLCJQYWPADRS-SNVBAGLBSA-N 433.392 4.181 5 20 IIBD CC(C)[C@H](OC(=O)c1c(F)ccc([N+](=O)[O-])c1F)C(=O)Nc1cccc2ncccc12 752569344 YLGAGUAZLSEOQG-IBGZPJMESA-N 429.379 4.241 5 20 IIBD COC(=O)[C@@]1(F)CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1 752673007 BYYJIIQFQZCUFO-LJQANCHMSA-N 438.864 4.127 5 20 IIBD COc1cc(C(=O)N2CCC[C@@H](OC(C)=O)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 752912751 QROLMUFQZFSTMR-MRXNPFEDSA-N 448.859 4.217 5 20 IIBD O=C(Nc1ccc(Oc2ncnc3cccc([N+](=O)[O-])c23)cc1)c1cccc([N+](=O)[O-])c1 753993080 DWPJCTCQQBAADH-UHFFFAOYSA-N 431.364 4.491 5 20 IIBD CC[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)Oc1ccccc1F 755014621 BQDKHXSIJWFOCD-LLVKDONJSA-N 429.217 4.223 5 20 IIBD CC(C)COC[C@@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccco1 755029966 KTNYSGPOWITUAG-CQSZACIVSA-N 426.267 4.486 5 20 IIBD Cc1ccc(NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1N1CCOC1=O 755030349 PDYVDCYGEHIHSB-UHFFFAOYSA-N 435.234 4.266 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cnn(-c2ncccc2Cl)c1C(F)F 756995250 BUKHZEWZICWJLQ-UHFFFAOYSA-N 442.209 4.350 5 20 IIBD C[C@@H](OC(=O)C(F)(F)c1c(F)cccc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 757827286 QRZJGZTXQICHKA-SECBINFHSA-N 425.294 4.319 5 20 IIBD COc1ccccc1[C@@H](OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccn1 759596539 NENWVIYSZRRURA-JOCHJYFZSA-N 430.420 4.131 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC1(c2cccc(Cl)c2)CCCC1 766095118 PTHLXGVBKFMTGM-UHFFFAOYSA-N 432.860 4.034 5 20 IIBD CC(=O)N1CC[C@H](COC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 767999601 ISAPDZHPGVGJRW-AWEZNQCLSA-N 434.901 4.425 5 20 IIBD CN(CCCn1ccnc1)[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 769656232 PCUCUKGPYPAUFZ-HXUWFJFHSA-N 427.892 4.147 5 20 IIBD CCn1c(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)nc2ccc(Br)cc21 771416728 MHMQGIKCIGAOND-UHFFFAOYSA-N 425.189 4.257 5 20 IIBD Cc1nc(CCC(=O)O[C@@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])cs1 774374022 VIGNVQAGWZGTTG-INIZCTEOSA-N 427.320 4.486 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cc1Cl 774517019 LKPZIWHQWPOXBZ-CYBMUJFWSA-N 441.912 4.118 5 20 IIBD CCOC(=O)Nc1ccc2c(Cn3ncc4cc([N+](=O)[O-])cc(Cl)c43)cc(=O)oc2c1 775195559 SLAPBWDJTOPCKN-UHFFFAOYSA-N 442.815 4.321 5 20 IIBD O=C(CN1CCCCCC1)Nc1ccc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc1 777941223 BYOZHUFTOMFMJH-UHFFFAOYSA-N 446.454 4.140 5 20 IIBD COc1cc([C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C(F)(F)F)cc(OC)c1OC 779067575 YHCOWNDXKFGAAE-AIADIJKESA-N 440.374 4.054 5 20 IIBD COC(=O)[C@@H](NCc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(OC)c(Cl)c1 779185213 BEHGFSYCMCWMJH-INIZCTEOSA-N 443.681 4.023 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCO[C@H](c2ccc(F)cc2F)C1 779282524 FZENLOYACQYOSB-NRFANRHFSA-N 431.439 4.077 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCC[C@](OC)(C(F)(F)F)C2)c1=S 780495440 FBWLCTKYXPUNQB-QGZVFWFLSA-N 445.467 4.010 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccccc1NC(=O)C[C@H]1C=CCC1 781649914 KOVYEMNUDRTJCO-HNNXBMFYSA-N 438.440 4.369 5 20 IIBD CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 781769385 INYFPTCIIKIBSN-UHFFFAOYSA-N 434.836 4.466 5 20 IIBD Cc1ccc(CC(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1Br 782466627 LOUZBZVZLRTPIB-UHFFFAOYSA-N 441.665 4.044 5 20 IIBD Cc1ccc([C@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2Br)C2CC2)cc1 784621386 CGVUWPJWUOGTOW-SFHVURJKSA-N 446.301 4.180 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC1CCN(Cc2ccc(Cl)cc2)CC1 790488052 XWDOEQBQTHSSRS-UHFFFAOYSA-N 440.302 4.364 5 20 IIBD C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 792327157 PBYDMOVUDWXVMY-KRWDZBQOSA-N 446.548 4.035 5 20 IIBD COc1ccc(NC(=O)CNc2ccc(OC(F)F)c(C(F)(F)F)c2)c([N+](=O)[O-])c1 795049538 PTGZTUBDFTVODA-UHFFFAOYSA-N 435.305 4.274 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC[C@@H](Cn2cnc3ccccc32)C1 797752992 NSWVLUFRFQVKLU-CQSZACIVSA-N 430.867 4.218 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1OC 798542629 BQHANQNLLDDDAY-IBGZPJMESA-N 445.472 4.207 5 20 IIBD CC(C)n1cc2c(n1)[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)CCC2 809831877 CUNMOIJUTVCDQZ-CYBMUJFWSA-N 433.317 4.035 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 813244521 GECKSNVFSZGSLJ-GFCCVEGCSA-N 441.793 4.254 5 20 IIBD O=C(CCC(=O)N1CCc2sccc2C1)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F 815197062 PRFKQOJSHSACJI-UHFFFAOYSA-N 442.415 4.083 5 20 IIBD CC(=O)N[C@H](CC(=O)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc(F)cc1F 815215868 YTCQUNJFCWXBFX-QGZVFWFLSA-N 446.328 4.203 5 20 IIBD CC(C)[C@@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCOc2ccccc21 877053636 UQEVCQCGATYANB-VQIMIIECSA-N 432.860 4.070 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N(C[C@@H](O)Cc2ccccc2)c2ccccc2)ccc1Cl 913116684 GHJTYNSYYSZAAW-SFHVURJKSA-N 446.912 4.047 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc(Cl)ccc1Br 913345266 SAVUOYIREMOWOP-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NC[C@H](c1cccs1)N1CCOCC1 914863481 XQFHFXRTIKAZMA-CQSZACIVSA-N 446.407 4.069 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)CCOc2ccc3ccccc3c2)c([N+](=O)[O-])c1 914913475 YZJUIGJEFKSBRZ-HNNXBMFYSA-N 438.436 4.096 5 20 IIBD O=C(CCOc1ccccc1-c1ccccc1)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 914999549 MJVFOMASKYBICZ-UHFFFAOYSA-N 446.459 4.163 5 20 IIBD Cc1ccc(C2=CCN(C(=O)c3cc([N+](=O)[O-])ccc3I)CC2)cc1 915279371 AFVNDYYCLLHIGJ-UHFFFAOYSA-N 448.260 4.437 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCN(Cc2cccc(Cl)c2)CC1 916559932 RFZXIKUWWBRGDO-UHFFFAOYSA-N 442.947 4.197 5 20 IIBD Cc1c(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cccc1[N+](=O)[O-] 918635190 CDVSMWUMUMEQFV-QGZVFWFLSA-N 441.440 4.053 5 20 IIBD COc1ccc2oc(C)c(C(=O)O[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2c1 919411908 PNABYGLEUNYSHG-NSHDSACASA-N 432.816 4.495 5 20 IIBD COc1cc(NC(=O)c2ccco2)c(C(=O)O[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OC 920157008 GJRKMEUNYMXTMS-ZDUSSCGKSA-N 440.408 4.375 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 921154489 UBPCEUKWJQUNMO-CQSZACIVSA-N 426.429 4.078 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CNC[C@H](O)COc2ccc(F)c(F)c2)o1 1116013599 IUGKWMYTBXZBBV-ZDUSSCGKSA-N 438.814 4.316 5 20 IIBD CC1=C(C(=O)N(C)C)[C@@H](c2cc([N+](=O)[O-])ccc2Cl)NC(=S)N1c1ccccc1F 1317804796 FHDFUEAIQXNXLE-GOSISDBHSA-N 448.907 4.185 5 20 IIBD O=C([C@@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1)N1Cc2ccc([N+](=O)[O-])cc2C1 1319208965 PXJAKVUYNFARKU-LTSKSLEPSA-N 439.899 4.185 5 20 IIBD Cc1ccc(NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1N1C(=O)CNC1=O 1321508604 ZKRCKNTXWYWUGS-UHFFFAOYSA-N 440.843 4.485 5 20 IIBD O=C(Cc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(C2(NC(=O)[C@H]3C[C@H]3F)CCC2)cc1 1786116128 YTHYGWIYJULKEP-ZWKOTPCHSA-N 445.878 4.283 5 20 IIBD O=C(CCc1ccc[nH]1)Nc1ccc(C2(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)CCC2)cc1 1788191684 QOBSGASASHTDLG-UHFFFAOYSA-N 448.479 4.009 5 20 IIBD Cc1cccnc1C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)CCC1 1790622972 YWQQJDFEIAESFD-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD O=C(c1ccsc1)N1CCC([C@@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1823679313 FVIBZDDBBMPTMV-NRFANRHFSA-N 441.553 4.132 5 20 IIBD O=C(c1cccc(F)c1[N+](=O)[O-])N1CCC([C@@H]2CCCCN2C(=O)C2=CCCC2)CC1 1826278014 GBQUSHQCEWEVIR-FQEVSTJZSA-N 429.492 4.078 5 20 IIBD C[C@@H](C(=O)N1CC2(CCCN2C(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)C1)c1ccccc1 1845144158 ZWSUCGCJFSIEKZ-LJQANCHMSA-N 447.535 4.024 5 20 IIBD CCOc1c(Cl)cc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OC 9616082 XZMWBTNZVBPJST-UHFFFAOYSA-N 443.239 4.104 5 20 IIBD CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 12047435 XKRJGSVZIJMTPI-HNNXBMFYSA-N 432.860 4.456 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1 16054123 GHBOBMUTFMBLHY-VIFPVBQESA-N 434.455 4.241 5 20 IIBD CCOc1ccc(NC(=S)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 18146090 MBQFGSDNQQJHGU-UHFFFAOYSA-N 428.436 4.411 5 20 IIBD COc1ccc(NC(=O)CCSc2nnc(-c3ccc(Cl)cc3)n2C)c([N+](=O)[O-])c1 26234648 WYHMGYHHXVCAOA-UHFFFAOYSA-N 447.904 4.173 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2csc3ccccc23)cc1OC 60537211 VVLSWBUYEZFWOI-UHFFFAOYSA-N 430.482 4.116 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@H](c1ccc(Cl)cc1)c1cccs1 61982082 NJRZHLKIUAVOGJ-LJQANCHMSA-N 443.868 4.123 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cc2)c1 63123338 ODKCAMNAYZUUGB-CQSZACIVSA-N 426.391 4.491 5 20 IIBD Cc1c(C(=O)N2CCCc3cc(OC(F)(F)F)ccc32)cc([N+](=O)[O-])cc1[N+](=O)[O-] 71895080 DVVVTRSNXRRZGT-UHFFFAOYSA-N 425.319 4.303 5 20 IIBD COc1cccc(CO[C@@H](C)C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)c1 107799339 NBRWJAKSYMIMNT-AWEZNQCLSA-N 426.391 4.100 5 20 IIBD CCN1CCN(C[C@H](C)CNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 236953107 OLWCYBJCQWJICD-GOSISDBHSA-N 446.979 4.404 5 20 IIBD Cc1ccc(C(=O)Nc2cccc(CNc3sc(S(C)(=O)=O)cc3[N+](=O)[O-])c2)cc1 301923026 FJGIDIFOBGPTSO-UHFFFAOYSA-N 445.522 4.233 5 20 IIBD CN(C(=O)c1cccc([N+](=O)[O-])c1Br)C1CCN(Cc2ccccc2)CC1 312971149 KKIHJKWTJQVSRF-UHFFFAOYSA-N 432.318 4.094 5 20 IIBD CCOc1cc2c(cc1CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)O[C@H](C)C2 426265137 GBHHFQWQFJWNQP-OAHLLOKOSA-N 425.485 4.191 5 20 IIBD CC[C@]1(CO)CCCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 428536983 SPARFSOSMHUJDJ-QFIPXVFZSA-N 431.920 4.485 5 20 IIBD CCOc1ccc([C@H](C)NC[C@H](CO)Cc2ccc(Br)cc2)cc1[N+](=O)[O-] 429415781 GQMRLVHLFBSLRP-GOEBONIOSA-N 437.334 4.258 5 20 IIBD CC[C@H](C)N(Cc1ccccc1)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C 430325993 YBDVYULLVSBLEJ-ZDUSSCGKSA-N 448.317 4.432 5 20 IIBD CCN(CC)[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccsc1 431163200 MVSNKSWEERMGGF-MRXNPFEDSA-N 426.336 4.232 5 20 IIBD COc1ccc(CSCC(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)cc1[N+](=O)[O-] 433936345 IYCULFFCWIDCFF-UHFFFAOYSA-N 440.481 4.403 5 20 IIBD C[C@@]1(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)CCCS1 435840637 RHWWTJQCGSXYKA-SFHVURJKSA-N 437.568 4.148 5 20 IIBD C[C@@H](COc1ccc(F)cc1F)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436145078 SBWHIEPRHVVVLL-NSHDSACASA-N 444.384 4.435 5 20 IIBD O=C(NC[C@H]1CCCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1)Nc1cccc(F)c1 436412440 RCEYIJIWEHIDRV-GFCCVEGCSA-N 441.385 4.186 5 20 IIBD CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 440545457 VAVKYNKSLVAPAO-UYAOXDASSA-N 427.570 4.446 5 20 IIBD Cc1cn(-c2ncccc2F)nc1NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] 441044768 KGHQOWXOMLYPQF-UHFFFAOYSA-N 449.467 5.027 5 20 IIBD Cc1c(NC(=O)C(=O)Nc2cc(Br)cc(OC(C)C)c2)cccc1[N+](=O)[O-] 442002934 PKVFGZCQNSKTSJ-UHFFFAOYSA-N 436.262 4.030 5 20 IIBD O=[N+]([O-])c1cnc(N2CCC[C@H]2c2nc(Cc3ccc(Br)cc3)no2)s1 443508214 IGJMDNRDVCLNCE-LBPRGKRZSA-N 436.291 4.129 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 444929708 IDILIVBGAQDQCI-UHFFFAOYSA-N 438.415 4.317 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCCCOc1cccc2cccnc12 446185204 UGZHOHYQPVDJTG-UHFFFAOYSA-N 444.285 4.033 5 20 IIBD Cc1ccc([C@H]2OCCC[C@@H]2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 447027846 FULJHLFZXLEJIT-FUHWJXTLSA-N 444.431 4.121 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1C 447631679 YYNOAMDHXOMOFI-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCCc2nc(-c3ccccc3)c(C)s2)cc1OC 461472545 WLOTWBADDLXRHF-UHFFFAOYSA-N 441.509 4.407 5 20 IIBD Cn1ccnc1[C@@H](Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)c1cccc(F)c1 462438277 SFWZMIYEOCRPKQ-NRFANRHFSA-N 433.443 4.643 5 20 IIBD O=C(Nc1n[nH]c(-c2cc(Cl)ccc2Cl)n1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 463163434 SQCHEHXORXCXKM-UHFFFAOYSA-N 444.238 4.125 5 20 IIBD CCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c2ncccc12 463790709 ZHQHGNJFMDNVNC-UHFFFAOYSA-N 441.387 4.361 5 20 IIBD Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 463880149 YENCLWKJVBFXLW-INIZCTEOSA-N 449.511 4.584 5 20 IIBD O=C(N[C@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 464084548 ZTOJMZMWUOVOKK-AWEZNQCLSA-N 441.793 4.192 5 20 IIBD Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 464588501 VYCNTMZENVZKLN-JOCHJYFZSA-N 437.540 4.367 5 20 IIBD C[C@H](CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)Oc1cccc(Br)c1 464681587 GAOSNCUAOFKQPP-CHWSQXEVSA-N 439.331 4.422 5 20 IIBD Cc1ccc(CN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c2ccc(F)cc2)o1 465138688 XRXRRNNHVAYIFG-UHFFFAOYSA-N 426.400 4.182 5 20 IIBD CC(=O)NCCCc1ccc(-c2csc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])n2)cc1 466394477 BRGQNUKVUHGKJU-UHFFFAOYSA-N 442.472 4.178 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCOc2ccc(Br)cc21 467218991 RLWOLKKQVSWXHX-HNNXBMFYSA-N 440.681 4.334 5 20 IIBD CN(Cc1cccc(Br)c1OC[C@@H]1CCCO1)C(=O)c1ccccc1[N+](=O)[O-] 468069894 ROAPWXPDRZEUJW-HNNXBMFYSA-N 449.301 4.187 5 20 IIBD O=C(Nc1cc(N2CCNC2=O)ccc1F)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 468212669 XWDAMLBMIWRVSR-UHFFFAOYSA-N 435.415 4.259 5 20 IIBD CCOc1ccccc1[C@@H](CC(C)C)NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 470246544 GUJAEZHAEKGDTD-OXJNMPFZSA-N 427.501 4.015 5 20 IIBD CCc1ccc(C(=O)N[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1[N+](=O)[O-] 471433075 WUGVJVYIYWIVQT-JOCHJYFZSA-N 438.505 4.080 5 20 IIBD CC(C)n1nc2c(c1NC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CCC2 473816816 VZLNVJXEZPGBBY-UHFFFAOYSA-N 440.426 4.113 5 20 IIBD COC(=O)COc1ccc(CN2CCC(c3c(C)[nH]c4ccccc34)CC2)cc1[N+](=O)[O-] 475573768 USFIZHWSGKBGAE-UHFFFAOYSA-N 437.496 4.316 5 20 IIBD Cc1cccc(C(=O)NCc2cc(Br)ccc2Br)c1[N+](=O)[O-] 478089472 NGZGGMJVAILWFR-UHFFFAOYSA-N 428.080 4.358 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3n2C(C)C)c([N+](=O)[O-])c1 481443222 YMDPUTHTITYWRN-GOSISDBHSA-N 428.514 4.360 5 20 IIBD CCN([C@@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C 481447760 DWCCXLLQWVGXAM-QFIPXVFZSA-N 425.510 4.407 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(Cc1ncc(Br)cc1Br)CC2 482005351 DZHDIHIQKZQIRT-UHFFFAOYSA-N 427.096 4.073 5 20 IIBD C[C@H]1CN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@]2(CCCOC2)O1 482448629 GOVCPYMPOJHPBN-UQBPGWFLSA-N 448.523 4.217 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)S(=O)(=O)Cc1cccc(C(=O)N2CCCCC2)c1 485233640 SCNZNUHTQYOGIK-QGZVFWFLSA-N 430.526 4.205 5 20 IIBD Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1C 485870492 IAFRTYXDHQQKCY-UHFFFAOYSA-N 436.859 4.489 5 20 IIBD CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 486442906 COHWHDSJEGFBOO-HXUWFJFHSA-N 426.448 4.143 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCC(=Cc3cccc(OC)c3)CC2)c(C)c([N+](=O)[O-])c1 486888451 WHOCSHLCRPXWBJ-UHFFFAOYSA-N 439.468 4.410 5 20 IIBD Cc1ccnc(-n2nc(C)cc2NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 488244352 PJMCRKGJIMBMQV-UHFFFAOYSA-N 448.405 4.252 5 20 IIBD COc1ccccc1[C@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccn1 488341520 BPKALJKRJMIOEE-NRFANRHFSA-N 440.887 4.283 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)cc1[N+](=O)[O-] 498969931 WLLJIDGGHNEMAO-SNVBAGLBSA-N 429.782 4.391 5 20 IIBD CN(C(=O)CSc1ccccc1C(=O)NCc1ccccc1[N+](=O)[O-])C1CCCCC1 500765328 BTLGARXJMKTGCX-UHFFFAOYSA-N 441.553 4.408 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)COc1ccc(F)cc1Br 502016332 YRJYZTIXHRDTRT-UHFFFAOYSA-N 425.254 4.312 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCCc2cccc(O)c2)cc1[N+](=O)[O-] 502064655 VTSJSJSRTFCSNV-UHFFFAOYSA-N 436.489 4.226 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 507400617 JZMHLIHJLKYJPX-DLBZAZTESA-N 435.402 4.313 5 20 IIBD CCCN1CCN(c2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3C)c(OCC)c2)CC1 507611062 NFMYGZKQQXHBHI-UHFFFAOYSA-N 440.544 4.015 5 20 IIBD COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1OCc1cn2ccccc2n1 511801292 GXRXPROPQZTWJS-UHFFFAOYSA-N 448.435 4.091 5 20 IIBD COc1cc(CN2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)c([N+](=O)[O-])cc1OC 512560394 DMGHQUNAPURXNJ-UHFFFAOYSA-N 448.907 4.005 5 20 IIBD Cc1c(C(=O)N2CCCc3c2cccc3[N+](=O)[O-])cnn1-c1ccc(Br)cc1 513839291 HUKIZKKLNLVMDV-UHFFFAOYSA-N 441.285 4.444 5 20 IIBD Cn1c([C@H]2CCCCN2C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)nc2ccccc21 517661381 RIBCZOIFQBOLFC-HXUWFJFHSA-N 430.468 4.035 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc2nc(C(F)F)[nH]c2c1 518510845 DZFUBPBCQOAFJS-UHFFFAOYSA-N 443.332 4.269 5 20 IIBD O=C(Nc1cccc(CS(=O)(=O)c2ccccc2)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 520347322 XEANEDDSLPTMPB-UHFFFAOYSA-N 435.461 4.302 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)cc1SC 521316292 HWOFYCSWCFAKMX-UHFFFAOYSA-N 439.497 4.172 5 20 IIBD CCCC(=O)NC[C@@H]1CCCN(c2c([N+](=O)[O-])cnc3ccc(Br)cc23)C1 523164625 YBPBZLMGVWVZJX-ZDUSSCGKSA-N 435.322 4.038 5 20 IIBD CCN(Cc1cc(Br)ccc1F)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 523339865 SDJDUDWADSFOLC-UHFFFAOYSA-N 447.264 4.344 5 20 IIBD CC1CCN(c2ccc(C(=O)N(Cc3ccncc3)Cc3cccnc3)cc2[N+](=O)[O-])CC1 523662240 LTFLHEWEPQQKQC-UHFFFAOYSA-N 445.523 4.464 5 20 IIBD Cc1oncc1C(=O)Nc1ccc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1 523893291 DKBYEVXLUIVWQU-UHFFFAOYSA-N 444.831 4.205 5 20 IIBD CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1cccc(C(F)(F)F)c1 524206305 CVWMFDRDRKOSAQ-QGZVFWFLSA-N 444.431 4.288 5 20 IIBD CCC(=O)N1CC[C@@H](C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)C1 532983976 UBBGLCLBWRJOQN-CQSZACIVSA-N 449.866 4.054 5 20 IIBD Cc1ccc2c(C3=CCN(CCCn4c(=O)oc5ccc([N+](=O)[O-])cc54)CC3)c[nH]c2c1 533350248 LXOXZNDSSVSUMH-UHFFFAOYSA-N 432.480 4.472 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@@H]1Cn1cnc2ccccc21 535967897 BANYBQPBSRHFHW-CQSZACIVSA-N 431.399 4.242 5 20 IIBD CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 537951868 GASDHVDPFVRDHW-UHFFFAOYSA-N 440.406 4.036 5 20 IIBD O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cccc(Br)c3OC(F)F)C2)nc1 538613518 YLFHYYUPWXECGH-GFCCVEGCSA-N 443.248 4.040 5 20 IIBD Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)N2CCOCC2)cc1 539339658 DQQZRBOTAJPSTN-OAQYLSRUSA-N 443.569 4.207 5 20 IIBD Cc1nc(COc2ccc(NC(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])cc2)no1 539935348 CDGLHSCBIZGHIG-UHFFFAOYSA-N 431.408 4.180 5 20 IIBD O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1O)c1nccnc1-c1nc2ccccc2s1 541819971 YEIVZXOWCUBVCB-UHFFFAOYSA-N 427.829 4.273 5 20 IIBD COc1ccc(CN(C(=O)N=c2cc[nH]cc2[N+](=O)[O-])[C@H]2CCCC[C@H]2C)cc1OC 541907261 LOYLMEHKAKEJKI-QAPCUYQASA-N 428.489 4.042 5 20 IIBD CCS(=O)(=O)c1ccc2oc(COc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc2c1 542214042 KJKMOWNETKQTNE-UHFFFAOYSA-N 430.360 4.127 5 20 IIBD Cc1cc(I)ccc1NC(=O)CSc1ccccc1[N+](=O)[O-] 544055164 DWBWZMQRAXUWSY-UHFFFAOYSA-N 428.251 4.239 5 20 IIBD COC(=O)c1ccc(Cl)c(NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)c1C 545229898 FKHVOLYQQCLTPM-UHFFFAOYSA-N 438.889 4.224 5 20 IIBD O=[N+]([O-])c1cccc(Oc2ccc(-c3noc(-c4cncc(N5CCOCC5)c4)n3)cc2)c1 546483818 NWUQDCBSMMTSRO-UHFFFAOYSA-N 445.435 4.336 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(CSc3nnc(-c4ccc5ccccc5c4)o3)n2)nc1 546486451 NRCOGXQLJDLZMC-UHFFFAOYSA-N 446.448 4.459 5 20 IIBD CS(=O)(=O)c1cc(-c2nc(-c3ccc(OC4CCCCC4)cc3)no2)cc([N+](=O)[O-])c1 547069390 NRLXQZVEKXRJMH-UHFFFAOYSA-N 443.481 4.427 5 20 IIBD NC(=O)C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccccc1 550291107 NXHISELZSFXISW-GOSISDBHSA-N 444.285 4.324 5 20 IIBD Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NCC(=O)Nc1ccc([N+](=O)[O-])cc1C 551350475 RWTQZEIMSWCGBF-HZPDHXFCSA-N 438.528 4.380 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 553364668 XKVKMMQVGQONSR-FGTMMUONSA-N 432.929 4.371 5 20 IIBD COc1cc(C(=O)Nc2nc(-c3ccc(Br)cn3)cs2)cc([N+](=O)[O-])c1C 565672868 DSYDMJNXKGGMIF-UHFFFAOYSA-N 449.286 4.445 5 20 IIBD COC(=O)C[C@@](C)(NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1cccc(OC)c1 566881153 SAULSDRNLVVRPC-OAQYLSRUSA-N 428.466 4.026 5 20 IIBD CN(C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1ccc([N+](=O)[O-])nc1 567392991 NXXZRJJDHDHJSD-UHFFFAOYSA-N 430.420 4.194 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 570647480 HQXIDSIFAFWDKV-UHFFFAOYSA-N 433.443 4.421 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cncc(Cl)c1Br 572678753 CHGPYSOAIXZVHW-UHFFFAOYSA-N 446.710 4.397 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)Nc1cccc(Cl)c1Cl 574503539 UKIMMPPMTQTDDW-UHFFFAOYSA-N 436.173 4.175 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 577252793 ZGHZFFWDMFKWBL-LEWJYISDSA-N 444.491 4.283 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 578702355 XAAXXWOJLUSIRX-INIZCTEOSA-N 428.489 4.283 5 20 IIBD C[C@H](C(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1)c1cccc([N+](=O)[O-])c1 580610214 OOTZWQQOPAWZJY-KRWDZBQOSA-N 436.537 4.166 5 20 IIBD O=C(c1ccccc1F)N1CCCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 583037092 JMBQNJVVIFAKAU-UHFFFAOYSA-N 425.382 4.101 5 20 IIBD CCOC(=O)c1sc(N(C(=O)COc2ccccc2[N+](=O)[O-])c2ccccc2)nc1C 603600643 FOQXUDHQPOYAAV-UHFFFAOYSA-N 441.465 4.280 5 20 IIBD CC(=O)Nc1ccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c(C(F)(F)F)c1 603617094 CEHDKKHBDCDLBK-UHFFFAOYSA-N 433.346 4.010 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 603713706 AUFVHNKDLCWYPC-GHMZBOCLSA-N 442.360 4.215 5 20 IIBD CC(C)Oc1ccccc1[C@H](C)NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 603773652 BGHBEBORGSIKIT-AWEZNQCLSA-N 441.513 4.153 5 20 IIBD O=[N+]([O-])c1ccc(-c2ncn(C[C@H](O)COC(c3ccccc3)c3ccccc3)n2)cc1 603839458 JMVCDPXELWGFDG-QFIPXVFZSA-N 430.464 4.020 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 604016341 ROSSKOAJBBXBMQ-CQSZACIVSA-N 437.427 4.486 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)nn2-c2ccc(C(F)(F)F)cn2)c1 608943174 ATBYWDOZQIODFA-UHFFFAOYSA-N 437.403 4.477 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 608965481 YCFYOHISUWJYRD-LJQANCHMSA-N 434.279 4.456 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Nc2cccc3c2CN(CCC(C)C)C3)c([N+](=O)[O-])c1 609076154 NBOBLYYGSGGFBD-INIZCTEOSA-N 426.517 4.404 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 609182513 RXXHMTVMCZCLCG-JLTOFOAXSA-N 429.904 4.414 5 20 IIBD Cc1ccc(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cc1I 609547608 UWNGLHDASYYQHR-UHFFFAOYSA-N 449.204 4.014 5 20 IIBD O=C(Nc1nccn1Cc1ccccc1Cl)C1CCN(c2ccccc2[N+](=O)[O-])CC1 609664601 BHOCRZVUBUKXDE-UHFFFAOYSA-N 439.903 4.348 5 20 IIBD CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cc1I)Cc1ccccc1 609757486 GPAHBAFIGFJKEV-UHFFFAOYSA-N 438.265 4.198 5 20 IIBD CN(CCn1cccn1)C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 609817923 UUYQBAGJWQTMTE-UHFFFAOYSA-N 447.854 4.218 5 20 IIBD CC(=O)N(Cc1ccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1)C1CC1 609863939 ZUCHVFQMQLODJO-UHFFFAOYSA-N 436.493 4.482 5 20 IIBD O=C(CCN1C(=O)CCc2ccccc21)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 609967056 PFXXOYWHGJJJIX-UHFFFAOYSA-N 443.459 4.134 5 20 IIBD Cc1ccc(C(C)C)c(OCc2ccc(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)cc2)c1 609978353 WCJMIPSGGPLRTR-UHFFFAOYSA-N 435.480 4.406 5 20 IIBD COc1ccc(CC(=O)Nc2ccccc2CN(C)C(=O)c2cccs2)cc1[N+](=O)[O-] 609981733 XLZSGCFQTVZMNK-UHFFFAOYSA-N 439.493 4.118 5 20 IIBD O=C(NCC1(CCOCc2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1Br 702903343 NOWOSKZBBABMCI-UHFFFAOYSA-N 433.302 4.474 5 20 IIBD C[C@H](OC(=O)CC[C@@H](O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 726872941 KZEBLVNAZYCTCQ-MGPUTAFESA-N 428.485 4.276 5 20 IIBD COc1cc(C(=O)Oc2cccc(C(=O)Nc3ccc(C)cc3)c2)c([N+](=O)[O-])cc1OC 727328906 YPZSUYANHKDIIC-UHFFFAOYSA-N 436.420 4.392 5 20 IIBD Cc1ccc2oc(C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2n1 729725933 YCOOBFANBCBJEW-SNVBAGLBSA-N 437.330 4.247 5 20 IIBD Cc1cc(COc2ccc(/C=C3\N=C(c4cccc([N+](=O)[O-])c4)OC3=O)cc2)oc1C(=O)O 729944535 ICJZGDXNVVWYMV-GRSHGNNSSA-N 448.387 4.118 5 20 IIBD CC(=O)N1CCN(c2ccc(C(=O)O[C@@H](C)c3c(C)cc(C)cc3C)cc2[N+](=O)[O-])CC1 733399097 ACGMHALMOBIHRD-SFHVURJKSA-N 439.512 4.107 5 20 IIBD COc1cc(N2CCC(OC(=O)c3cnc(-c4ccco4)s3)CC2)ccc1[N+](=O)[O-] 739379087 CSZAGERDQSWKCE-UHFFFAOYSA-N 429.454 4.146 5 20 IIBD NC(=O)COc1ccc(OC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1 739641329 QXDMQSOHTPRSLH-UHFFFAOYSA-N 442.811 4.124 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)O[C@@H](C)c2nnc(C)o2)cc1[N+](=O)[O-] 741830668 PBGUWPPLVUOYIQ-NSHDSACASA-N 427.438 4.157 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)cc1[N+](=O)[O-] 742030225 UDFNWBKGZJUXNB-LJAQVGFWSA-N 448.497 4.151 5 20 IIBD O=C(OCCOc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 742855688 FZDVWIOMPWOFMM-JOCHJYFZSA-N 433.416 4.285 5 20 IIBD Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 744554486 PVXFILFNCMQPHP-ZWKOTPCHSA-N 439.512 4.316 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 746437887 PRNDWSYJNMRPLI-CQSZACIVSA-N 425.285 4.355 5 20 IIBD Cc1nn(C)c(C)c1[C@@H](C)C(=O)Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1 746763335 FLFGNMGQUVKVNJ-CYBMUJFWSA-N 447.447 4.428 5 20 IIBD Cc1ccc(C2=NN(C(=O)COc3cc(C=O)ccc3[N+](=O)[O-])[C@H](c3ccco3)C2)cc1 748154024 GXJWAOCPEKUEPL-FQEVSTJZSA-N 433.420 4.065 5 20 IIBD CC(C)NC(=O)COC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 748579690 SAVWBEJFQZLELI-LFIBNONCSA-N 439.493 4.203 5 20 IIBD CNC(=O)c1cc(Oc2cc(C)ccc2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccn1 748807146 BNIKARNXDAJINY-UHFFFAOYSA-N 440.843 4.356 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)c1ccc[nH]1 749955216 DXWHTDXBUDOYKF-KRWDZBQOSA-N 444.241 4.222 5 20 IIBD CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C[C@@H](O)c1cccc([N+](=O)[O-])c1 750038544 WJAMSDJHRCQHOW-GOSISDBHSA-N 426.300 4.286 5 20 IIBD O=C(Nc1cccc2c1CCCN2C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 750095894 MBKOPFPZZSPJPG-QHCPKHFHSA-N 435.455 4.472 5 20 IIBD C[C@H](OC(=O)Cc1csc(-c2ccc(F)c(F)c2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 750160529 HXUPVGJMMKOBBA-NSHDSACASA-N 447.419 4.109 5 20 IIBD CC(C)(C)OC(=O)NCCc1ccc(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 751227541 BCZGIPSMEDXCDH-UHFFFAOYSA-N 433.892 4.245 5 20 IIBD O=C(COC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 751604298 HIKLNSAJHUUXAF-UHFFFAOYSA-N 435.392 4.155 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccc(F)cn1 751829184 DVWPYLBIRKMUAT-GOSISDBHSA-N 429.791 4.319 5 20 IIBD Cc1cc(F)cc(C(=O)OCc2nnc(-c3ccc(Br)s3)o2)c1[N+](=O)[O-] 752556390 ZKMFJCLRUSGWIM-UHFFFAOYSA-N 442.222 4.273 5 20 IIBD O=C(Nc1ccc(CCC(F)(F)F)cc1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 753261095 IUAJHWXWMJTOGQ-ZDUSSCGKSA-N 439.365 4.220 5 20 IIBD CC(C)n1ncc(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1-c1ccccc1 753616247 NGTYXAMABPYBSH-AWEZNQCLSA-N 440.431 4.362 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OCc2cc3c(Cl)cccc3[nH]2)ccc1[N+](=O)[O-] 754714985 GXQDTYVNTMGDLA-HXUWFJFHSA-N 441.871 4.386 5 20 IIBD CC[C@@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1ccc(Cl)cc1 754980191 FELYSASFONNSFH-OAHLLOKOSA-N 429.231 4.465 5 20 IIBD C[C@@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[C@H](O)c1c(F)cccc1Cl 755027829 BZYRXYMMMNLGMD-GLEZIHRCSA-N 446.660 4.393 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N(Cc1ccncc1)Cc1cccnc1 755035557 MKCCNFHOSMBNRW-UHFFFAOYSA-N 442.273 4.382 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 755369911 KGJLZHKYBPHEBV-SECBINFHSA-N 426.248 4.385 5 20 IIBD COc1ccc(-c2cncc(C(=O)OCC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])c2)cc1 758099396 GTIYYMCHZNPUBF-UHFFFAOYSA-N 441.827 4.114 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cn2c(=S)oc3ccc([N+](=O)[O-])cc32)C1 758402268 HRBKEITYQIWSOD-UONOGXRCSA-N 436.534 4.455 5 20 IIBD Cn1cc(C(=O)Nc2cnc(Cl)c(Br)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 759153521 JFZRROWBBWUACW-UHFFFAOYSA-N 436.653 4.059 5 20 IIBD COc1ccccc1[C@@H](OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccccn1 759595463 JMUKNCIRNUDQDX-JOCHJYFZSA-N 430.420 4.131 5 20 IIBD O=C1OCCN1c1cccc(-c2noc(Cn3c4ccccc4c(=O)c4ccccc43)n2)c1 762191554 AUKMWMQHCACQCB-UHFFFAOYSA-N 438.443 4.210 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(SC(=O)N(C)C)cc1 764137925 PLCYAICBGVYOIG-UHFFFAOYSA-N 435.527 4.359 5 20 IIBD CCc1cc(=NC(=O)c2sc(N3CCCC3)nc2Cl)c2cc([N+](=O)[O-])ccc2[nH]1 765101980 XLGSEOJDISEDPS-UHFFFAOYSA-N 431.905 4.090 5 20 IIBD O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@H]1COC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2 766354576 XTANXOXUJHEJMT-IMOWGURISA-N 430.476 4.051 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C)c(Br)s1 769629677 ASQBJGNDHCYKSC-UHFFFAOYSA-N 425.713 4.490 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c(O)c1 770036203 JWPDQTJGWXZMRB-UHFFFAOYSA-N 427.457 4.452 5 20 IIBD CCOC(=O)c1sc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)nc1-c1ccccc1 770057405 JXZQYTBJBZVBDG-UHFFFAOYSA-N 433.392 4.426 5 20 IIBD CCOc1ccccc1CN(CCCn1ccnc1)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 770472227 IHHZUYHIOUOLOU-UHFFFAOYSA-N 449.511 4.172 5 20 IIBD O=C(c1cccc(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)c1)N1CCC(CO)CC1 770545067 IYZARFODASYBHK-UHFFFAOYSA-N 435.480 4.311 5 20 IIBD COC(=O)C[C@@]1(NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCCOC1 770680245 SNBFUWAAUZZOCX-NRFANRHFSA-N 434.876 4.242 5 20 IIBD Cc1cc(S(=O)(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc([N+](=O)[O-])c1F 771749131 CACIVVHDVBKDMS-MRXNPFEDSA-N 449.287 4.111 5 20 IIBD O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)C1(c2ccc(F)cc2)CCOCC1 773401611 HUTNUAWDIHXHCC-UHFFFAOYSA-N 438.249 4.288 5 20 IIBD CC(C)[C@H](O)C1(CNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 775899602 AXIIDXCFJZFDCJ-IBGZPJMESA-N 445.903 4.027 5 20 IIBD C[C@@H](c1nnc(SC[C@H](O)c2ccc([N+](=O)[O-])cc2)n1-c1ccc(Cl)cc1)N(C)C 776271284 JUOBONJAFDQUCR-UGSOOPFHSA-N 447.948 4.277 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1c(C(F)(F)F)ccnc1Cl 776460839 ANGFPJFGIGPYSW-UHFFFAOYSA-N 428.710 4.069 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)ccc1Cl 777661528 PDHTZCOBYITISH-LLVKDONJSA-N 447.296 4.118 5 20 IIBD O=C(c1cc([N+](=O)[O-])c2nsnc2c1)N(CCc1ccccn1)Cc1ccc(F)cc1 778255195 UJHGZZJXKRUTQH-UHFFFAOYSA-N 437.456 4.019 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 778791361 NCOARDPKXKCTAR-QGZVFWFLSA-N 440.437 4.062 5 20 IIBD CCn1c(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)nc2ccccc21 780210860 WXHRGXNEIRRCBM-UHFFFAOYSA-N 432.430 4.259 5 20 IIBD C[C@@H](OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)N1c2ccccc2C[C@H]1C 781261432 UZJOTHATAWIIOP-HZPDHXFCSA-N 426.472 4.204 5 20 IIBD Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781636573 SPRCMWPUKHBWOT-IFMALSPDSA-N 445.479 4.157 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(Cl)cc1Br 781731162 GHAJVGYAKJFNAV-UHFFFAOYSA-N 428.626 4.490 5 20 IIBD Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 784038069 ITSDXZLBDKIKAJ-HNNXBMFYSA-N 449.847 4.278 5 20 IIBD COc1cccc(CN2CCC(NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 785361022 DSILXYYABZCJED-UHFFFAOYSA-N 449.960 4.130 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=S)N[C@@H](C)Cc1ccccc1 786059516 AMWLQOBERSJTNY-INIZCTEOSA-N 439.541 4.361 5 20 IIBD Cc1ccncc1/C=C\C(=O)O[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 786923638 QCYCUBYZBANTGS-LMVHVUTASA-N 438.465 4.005 5 20 IIBD C[C@@H](NCc1ccccc1CN1CCN(c2ccccc2)CC1)c1ccc(N)c([N+](=O)[O-])c1 788523647 BHDVYTOYQNMLOX-HXUWFJFHSA-N 445.567 4.350 5 20 IIBD COCC[C@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 790422744 ZBCAMEQWCUHLME-AWEZNQCLSA-N 437.276 4.097 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(CC[C@@H](O)c2ccccc2)c1 794860500 JNLDAHWARFRZII-HXUWFJFHSA-N 442.493 4.070 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccccc2)C[C@H](O)c2ccccc2)c(Cl)c1 796083047 CNVWJABGUQHQGF-FQEVSTJZSA-N 446.912 4.173 5 20 IIBD COC(=O)N1CCC([C@@H](C)NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 799370472 NDYJSZLBIFIBAH-OAHLLOKOSA-N 443.525 4.343 5 20 IIBD O=C(Nc1nccc2ccncc12)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 801695795 MGNNJYQJVWQNRY-UHFFFAOYSA-N 429.223 4.283 5 20 IIBD CC(C)(C)OC(=O)NCc1ccc(OC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1 802957259 BOAGEOIBLZAJMM-UHFFFAOYSA-N 438.440 4.024 5 20 IIBD O=C([C@@H]1CCCCN1C1CCCC1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 803547236 WQUIOYJGDOCQCH-IBGZPJMESA-N 436.350 4.039 5 20 IIBD Cc1ccc([C@H](O)[C@@H](C)NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 804473411 OGRBDEAJKYGJSL-YGKZAACZSA-N 434.496 4.323 5 20 IIBD O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccnc1OCC(F)(F)F 811216554 NICCXQBNFRPTQY-UHFFFAOYSA-N 439.371 4.411 5 20 IIBD COc1ccc([C@@H](O)C2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC2)cc1 812630975 IJIXQOJFTDSLHZ-OAQYLSRUSA-N 426.494 4.404 5 20 IIBD CN(C(=O)OC(C)(C)C)[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Cc1ccccc1 820517028 XFCOGGHBFFFLHH-MRXNPFEDSA-N 447.919 4.456 5 20 IIBD NC(=O)c1cc(N2CCCCC2)ccc1NCc1c(Br)cccc1[N+](=O)[O-] 863995001 IKPDMNIJIVOOCG-UHFFFAOYSA-N 433.306 4.059 5 20 IIBD O=C(c1ccc(N2CCC[C@H]2c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1)N1CCOCC1 864007044 PSHHVNMWWVZMNW-SFHVURJKSA-N 449.429 4.428 5 20 IIBD Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NCc3ccc(Cl)cc3[N+](=O)[O-])cc21 864028334 TUAKDBUSRAHCET-UHFFFAOYSA-N 429.908 4.041 5 20 IIBD O=[N+]([O-])c1cc2c(cc1-c1nc(-c3ccc(Cn4cnc5ccccc54)cc3)no1)OCO2 904476745 TULBEZDCFXXBPR-UHFFFAOYSA-N 441.403 4.439 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1c[nH]c2ccc(Br)cc12 914798008 LWRPYDPJQGCYGE-UHFFFAOYSA-N 443.213 4.246 5 20 IIBD C[C@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(OC(F)(F)F)cc1 917218670 OSURQFXFQMMABK-VIFPVBQESA-N 432.738 4.331 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)c1ccc2ccccc2n1)c1cccc([N+](=O)[O-])c1 918637818 MALBUXPJRANEFL-LJQANCHMSA-N 433.464 4.385 5 20 IIBD C[C@H](Oc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cn1)c1ccccc1 919213638 GOXYHAZFNRTEMP-JKSUJKDBSA-N 435.436 4.314 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1F)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 919251404 JSASYEFNRMIPDS-NRFANRHFSA-N 442.830 4.450 5 20 IIBD COC(=O)c1ccc(C)c(OC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 920107730 HPIPFCGHWOYJJT-OAHLLOKOSA-N 435.436 4.477 5 20 IIBD O=C(NCc1cccc(C(F)F)c1)c1cc([N+](=O)[O-])ccc1I 1255390375 AAHPDEBILZGMMN-UHFFFAOYSA-N 432.164 4.067 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1 1325639507 FCEWQYCPEVLQAY-UHFFFAOYSA-N 441.465 4.085 5 20 IIBD C[C@@H]1CC[C@H](C(=O)Nc2ccc(C3(NC(=O)c4cc(F)cc([N+](=O)[O-])c4)CCC3)cc2)O1 1789158652 CHACWVNALPPSRE-JLTOFOAXSA-N 441.459 4.049 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2ccoc12 1801104096 RQOANLSZVNYIKH-FCJRBGQTSA-N 445.475 4.306 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccccc2)[nH]n1)c1ccc([N+](=O)[O-])o1 1814311719 KLCJJMOOBLNMBF-NUJGCVRESA-N 449.467 4.021 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)C)CC1 1826405585 DYIOOXOSSPTYOH-LJQANCHMSA-N 433.524 4.322 5 20 IIBD CSc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] 9621271 FBXFHJUBMLOSEO-JTQLQIEISA-N 439.287 4.263 5 20 IIBD C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)OCc2ccccc2[N+](=O)[O-])cc1 12666510 MDRODPSYKORXIW-CALCHBBNSA-N 426.469 4.120 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(F)c(F)c3)cc2)cc1[N+](=O)[O-] 15588263 ILEHNSUQKCXLSO-UHFFFAOYSA-N 447.419 4.235 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1csc(-c2ccc(Cl)cc2)n1 16457338 BOLKMIQSBFOPFD-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD C[C@H](Sc1nnc(NC2CCCCC2)s1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 21681865 APRBDLYBQPCAIZ-JTQLQIEISA-N 425.511 4.449 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1ccccc1COCc1ccccc1 32441981 BSIHKRGSLUFRRO-UHFFFAOYSA-N 426.494 4.099 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)cc1OC 60017578 WDDXEHZPONGXQJ-UHFFFAOYSA-N 448.903 4.134 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1 72010003 YAOUNXVXEZIXMW-CYBMUJFWSA-N 447.426 4.034 5 20 IIBD COc1ccc([C@H](Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)C(C)C)cc1 105133544 WCYKOLCROMBTQI-OAQYLSRUSA-N 433.530 4.197 5 20 IIBD CCc1cc(N(C)Cc2ccccc2N2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 108850289 IFNQSFVDHUNOOC-UHFFFAOYSA-N 433.512 4.087 5 20 IIBD O=C(O)CCN(Cc1cccc(F)c1F)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 238158488 CGOCACVXRHQJPH-UHFFFAOYSA-N 447.419 4.114 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c([N+](=O)[O-])c1 301346639 JZCNYGONGBSJHG-UIFIKXQLSA-N 445.541 4.035 5 20 IIBD O=c1c(Cl)c(N[C@H]2CCN(c3ccc(Cl)cc3)C2)cnn1-c1ccc([N+](=O)[O-])cc1 302019001 MXEGAHKMFAZMTR-AWEZNQCLSA-N 446.294 4.138 5 20 IIBD O=C(Nc1n[nH]c(-c2ccc(Br)cc2F)n1)c1ccc([N+](=O)[O-])cc1Cl 409542122 CUCAOPSLYWTOMX-UHFFFAOYSA-N 440.616 4.187 5 20 IIBD C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)NCc1ccccc1[N+](=O)[O-])OCCO3 410156976 VVOUIEZJSFQRLF-MRXNPFEDSA-N 437.496 4.464 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cnn2c(-c3ccccc3)ccnc12 427597040 QDCLBWFFBADWTR-UHFFFAOYSA-N 441.369 4.253 5 20 IIBD CCC(=O)c1cccc(NC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c1 434120618 VWMBWRVKPLSVOL-GOSISDBHSA-N 427.457 4.392 5 20 IIBD Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 434337803 ZERQAEXQTAHXDR-LJQANCHMSA-N 439.903 4.452 5 20 IIBD O=C(NCCOc1cccc(Cl)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 435974298 UDHANHPSEFAUOY-UHFFFAOYSA-N 428.822 4.422 5 20 IIBD CC(C)c1ccc(C(=O)N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1[N+](=O)[O-] 438969395 CBTYOOFLCKNVHF-UHFFFAOYSA-N 449.429 4.335 5 20 IIBD COC(=O)c1cc(Br)cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)c1Cl 440163045 RNIKDHUSYOCBQQ-UHFFFAOYSA-N 445.628 4.118 5 20 IIBD O=C(Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1)[C@H]1OCCc2ccccc21 440840174 ALWSVRUIOBTXFY-QFIPXVFZSA-N 430.420 4.293 5 20 IIBD COc1ccccc1-c1ccc([C@H](C)NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 442170992 UBFQWOOUMQCYKI-INIZCTEOSA-N 433.464 4.395 5 20 IIBD Cc1ccc(NC(=O)C(=O)N(Cc2ccccc2Br)CC(C)C)cc1[N+](=O)[O-] 442177756 YYHOKAFVPXWSNY-UHFFFAOYSA-N 448.317 4.289 5 20 IIBD O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCC[C@@](O)(C(F)(F)F)C1 442691970 YWGIUXBLEWSMRK-SFHVURJKSA-N 426.416 4.275 5 20 IIBD CCN(C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[C@H]1CCN(Cc2ccccc2)C1 444327455 QOHNYNPZLWLBFX-NRFANRHFSA-N 425.532 4.418 5 20 IIBD O=C(Cc1noc(-c2n[nH]c3ccc([N+](=O)[O-])cc23)n1)Nc1ccc(Cl)cc1Cl 445376948 XUUHXPMXTBCLDP-UHFFFAOYSA-N 433.211 4.009 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nnc(Cc2ccc3ccccc3c2)o1 446782524 GDDLIQRBSDCLCH-UHFFFAOYSA-N 438.465 4.139 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@H](c1ccccc1)c1cccc(F)c1 447021543 STAAJSFXWOUVDV-LJQANCHMSA-N 427.819 4.232 5 20 IIBD COc1ccc(NC(=O)CCN2CCn3c(cc4ccc(Cl)cc43)C2)c([N+](=O)[O-])c1 447396716 LJTUCFFONIPQID-UHFFFAOYSA-N 428.876 4.056 5 20 IIBD Cc1cc(C[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Br)n(-c2ccccc2)n1 448186280 WULUCHSADORNOI-CYBMUJFWSA-N 443.301 4.212 5 20 IIBD COc1cc(C(=O)Nc2ccnc(Oc3ccc(F)cc3F)c2)c([N+](=O)[O-])cc1OC 448447322 JVXAXIMAXQIOIU-UHFFFAOYSA-N 431.351 4.330 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CC4(CCC4)c4ccccc43)n2C[C@H]2CCOC2)c1 461697078 SRJZNHOWIHJIJQ-QGZVFWFLSA-N 431.496 4.463 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C)CCc1ccc(Br)cc1 464041020 PYWQZZQVCMZVKI-ZDUSSCGKSA-N 448.317 4.050 5 20 IIBD CCc1ccc([C@@H](C)NC(=O)[C@H](C)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 464778391 NXWXEZPGAXNEMK-MSOLQXFVSA-N 425.529 4.266 5 20 IIBD NC(=O)c1ccc(SCc2nc(-c3ccc(N4CCCCC4)cc3)no2)c([N+](=O)[O-])c1 467252796 FGNTVGUNISSNAE-UHFFFAOYSA-N 439.497 4.026 5 20 IIBD CO[C@@H](C)c1nc(CN2CCCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)cs1 473508720 MBRILTQTWFIAIW-HNNXBMFYSA-N 427.530 4.019 5 20 IIBD Cc1nc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)ccc1[N+](=O)[O-] 475318775 RCIXKTLVJLSPMP-UHFFFAOYSA-N 434.378 4.273 5 20 IIBD COC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 475883513 VPKINTJBTVWJEX-GHTZIAJQSA-N 448.523 4.493 5 20 IIBD COc1cc(OCC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)ccc1[N+](=O)[O-] 475892399 NZBLXKVXBFNSTC-INIZCTEOSA-N 427.438 4.015 5 20 IIBD COC(=O)C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ccc(C(F)(F)F)cc1 479372574 ITVNKCLKCQTTSR-HNNXBMFYSA-N 436.342 4.394 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1CC[C@@H](N2CCCC2=O)C1 481280227 WEBKDXWNUOKFHG-MRXNPFEDSA-N 445.928 4.236 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1ccc(N2CCCCC2)c2ncccc12 481859367 WRUCBCLJEOURKD-UHFFFAOYSA-N 426.498 4.075 5 20 IIBD O=C(c1ccc(-c2cncnc2)cc1F)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 481864675 HJDHEZZJUCJCAB-UHFFFAOYSA-N 434.349 4.396 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1nc([C@@H]2C[C@H]3CC[C@H]2C3)cs1 482348608 FVVWOMVPVHANDR-KCQAQPDRSA-N 442.497 4.282 5 20 IIBD Cc1c(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nnn1-c1cccc(Cl)c1 486734155 GOOLQIZNERSCRB-UHFFFAOYSA-N 439.781 4.086 5 20 IIBD O=[N+]([O-])c1ccc(OCc2nc(-c3cc(F)c(F)c(F)c3)no2)c(Br)c1 486924119 CAIGYTGWOBYCJI-UHFFFAOYSA-N 430.136 4.404 5 20 IIBD Cc1ccc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1C(=O)N1CCCCC1 488885262 SCLGVIODDVBYFD-UHFFFAOYSA-N 447.495 4.182 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C 490037500 SJWVQSCGPKYHSP-GUYCJALGSA-N 444.431 4.073 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)cc1[N+](=O)[O-] 493363339 MOJLHUZGOJYJMM-UHFFFAOYSA-N 442.881 4.323 5 20 IIBD O=C(NCc1ccccc1CN1CCCCCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 493810474 PLSIQCCNFLMMPO-UHFFFAOYSA-N 433.512 4.087 5 20 IIBD NC(=O)c1cccc2c1CCCN2C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 494457875 SQZTXFMNQFHRPZ-UHFFFAOYSA-N 433.489 4.438 5 20 IIBD CCCN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@H](C)CC(=O)Nc1ccccc1 500691526 ZPABYNOVONVSFI-CQSZACIVSA-N 435.427 4.466 5 20 IIBD CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 501160256 LIHJRIDFUAEWMT-MRXNPFEDSA-N 449.467 4.088 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1COc2cc(F)c(Br)cc21 501296428 SRIOXGHADGHHEB-PSLIRLAXSA-N 441.278 4.227 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)cc1OC 502160236 WZBBOOFKSIEQTF-CYBMUJFWSA-N 443.431 4.302 5 20 IIBD Cc1cc(OCc2ccccc2)ccc1NC(=O)C(=O)N(C)CCc1ccccc1[N+](=O)[O-] 506765390 XTIGKLAQSKWJHY-UHFFFAOYSA-N 447.491 4.122 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc2c(Br)cccc2s1 508100565 HAAGUNYHMNWDNC-UHFFFAOYSA-N 428.289 4.076 5 20 IIBD CCCCN(CC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])cc1I 508943811 WASTXBIUVMIBRG-UHFFFAOYSA-N 430.164 4.004 5 20 IIBD Cc1nc(-c2ccc(C)c(NC(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)c2)n[nH]1 510041234 RJEONJDOGBXLKD-UHFFFAOYSA-N 430.262 4.320 5 20 IIBD CCOC(=O)C1CCC(N(CC)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 511956135 YOPQJDVPJDPCFW-UHFFFAOYSA-N 431.514 4.302 5 20 IIBD O=C(N[C@H](c1ccc(Cl)cc1)c1ccsc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 512229977 UFUYWJGRBHJKEJ-LJQANCHMSA-N 439.884 4.410 5 20 IIBD COc1cc(C(=O)Nc2ccc(NC3CCOCC3)cc2)c([N+](=O)[O-])cc1OC(F)F 513053191 BKGVDEXDQYJDCN-UHFFFAOYSA-N 437.399 4.048 5 20 IIBD Cc1cc(NC(=O)CSCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)n(C(C)(C)C)n1 515400655 YWSDXEQISFHKGB-UHFFFAOYSA-N 429.502 4.382 5 20 IIBD Cn1ccnc1Sc1ccc(Cl)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 517465158 YYQJBVDAXWZMKN-UHFFFAOYSA-N 442.881 4.073 5 20 IIBD O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 518285613 QYTNQKFJHOZLFE-UHFFFAOYSA-N 432.874 4.266 5 20 IIBD CCN1CC[C@@H](N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2Cc2ccccc2)[C@H](C)C1 518634178 YFYFLOULYSZCTM-XMSQKQJNSA-N 434.544 4.068 5 20 IIBD COc1ccc(OC)c(CCNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c1 519122200 IPOGDSZFVJUGLR-UHFFFAOYSA-N 435.480 4.197 5 20 IIBD O=[N+]([O-])c1ccc(NCCc2nc3ccccc3[nH]2)nc1NCCc1nc2ccccc2[nH]1 519711841 TZEWKYWGNROMEN-UHFFFAOYSA-N 442.483 4.052 5 20 IIBD O=C(c1cc(Br)cnc1OCC1CC1)N1CCCc2c1cccc2[N+](=O)[O-] 519843910 JTHFIIGMCIUPQP-UHFFFAOYSA-N 432.274 4.134 5 20 IIBD CC(C)CN(C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C1CCCC1 520152358 XIMSRIAWKRHEHD-UHFFFAOYSA-N 445.541 4.436 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C 520699991 RQXVNNHIDDCMFI-HNNXBMFYSA-N 431.514 4.027 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 523564580 KKGNYXUVCBJCCD-ZDUSSCGKSA-N 449.866 4.032 5 20 IIBD COc1cc(C(=O)N(Cc2csc(C)n2)c2ccc(F)cc2)cc([N+](=O)[O-])c1OC 525557744 BERJHJOSPFTAAC-UHFFFAOYSA-N 431.445 4.363 5 20 IIBD O=C(Nc1ccc(F)c(Cl)c1)C1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 532709990 HYWHWURFDXNDDO-UHFFFAOYSA-N 449.866 4.105 5 20 IIBD C[C@H]1CCN(C)c2ccccc2N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 533465563 IVCQKVRZKNOXEN-LBPRGKRZSA-N 429.420 4.037 5 20 IIBD O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 536852869 RPBMCAYPJFWVKQ-UHFFFAOYSA-N 449.496 4.193 5 20 IIBD CS(=O)(=O)c1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1C(F)F 539511081 AEQOWQVHWCRDLZ-UHFFFAOYSA-N 426.422 4.403 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nc(C4CC4)no3)cc2C)cc1OC 541369791 SXURGXCPJNKYBM-UHFFFAOYSA-N 438.440 4.490 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[C@@H]2c2cccc(Br)c2)s1 542102177 QPMCDRJGDSLQGY-GFCCVEGCSA-N 431.333 4.164 5 20 IIBD COc1ccc2c(c1)C[C@H](C)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H]2C 542881069 LSEAEWROPQWADT-STQMWFEESA-N 448.317 4.312 5 20 IIBD CCc1ccc([C@@H](NC[C@H](c2ccc(C)o2)N2CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 543406590 JUJLBDBXYJDPSJ-QPPBQGQZSA-N 439.512 4.404 5 20 IIBD C[C@H](N[C@H](C)c1nc(-c2cccc(F)c2)no1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 543548701 XTVMEVAUQZJQCU-WDEREUQCSA-N 433.827 4.115 5 20 IIBD Cc1sc(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])nc1-c1ccc(Cl)cc1 545384738 DSJAFMLYAUMKET-UHFFFAOYSA-N 437.930 4.300 5 20 IIBD COCCOc1ccc(Cc2noc([C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 546483802 MXLUNHLHWHIYPX-ZDUSSCGKSA-N 433.848 4.387 5 20 IIBD Cc1nc(-c2ccc(-c3nc(Cc4ccc([N+](=O)[O-])cc4Br)no3)cc2)n[nH]1 547153786 OBUDWTXLLCZFIQ-UHFFFAOYSA-N 441.245 4.092 5 20 IIBD Cc1ccc(-c2cncc(F)c2)cc1NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 549703179 YHBOMWLMTTUSDF-UHFFFAOYSA-N 448.454 4.234 5 20 IIBD CN(c1ccccc1)c1ccc(CNCc2cccc(N3CCOCC3)c2)cc1[N+](=O)[O-] 549830873 NSFJMRUISCTWQX-UHFFFAOYSA-N 432.524 4.489 5 20 IIBD O=C(Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c1)c1ccccn1 549917877 VRHGZYFCFQLVBX-UHFFFAOYSA-N 444.369 4.191 5 20 IIBD CC(C)c1ccc(CNCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)cc1[N+](=O)[O-] 551230898 FTZWFDAYXGOATC-UHFFFAOYSA-N 430.448 4.430 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@H]1CCN(c2ccccc2F)C1 553621962 NLRWPZVCUDCZLR-ZDUSSCGKSA-N 443.422 4.240 5 20 IIBD O=C(NCc1cc(F)c(C(F)(F)F)cc1F)c1ccn(-c2ccccc2[N+](=O)[O-])n1 554069255 MGHXPZYPKLFCKQ-UHFFFAOYSA-N 426.301 4.008 5 20 IIBD COc1cccc(Oc2ncccc2CN[C@@H](c2cccc([N+](=O)[O-])c2)c2nccn2C)c1 556872341 OJODDJDPNNOZEO-QFIPXVFZSA-N 445.479 4.403 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCc2ccc(C)cc21 561535237 VAAPWDCGMIVHKF-LJQANCHMSA-N 428.510 4.366 5 20 IIBD C[C@@H](C(=O)Nc1ccc(-c2ccc(Br)s2)nn1)c1cccc([N+](=O)[O-])c1 571495474 TYHRCSFOKVPXBO-SNVBAGLBSA-N 433.287 4.618 5 20 IIBD CC[C@H](NC(=O)c1ccccc1)c1noc(-c2ccc([N+](=O)[O-])cc2Br)n1 576384384 IJQRITLCMBJTKK-HNNXBMFYSA-N 431.246 4.288 5 20 IIBD CC1(c2ccccc2)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCOC2)CC1 577871515 YSIYCPCUZPGZTJ-LJQANCHMSA-N 447.539 4.448 5 20 IIBD O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 578290375 AKNWHEBFCPKMND-UXHICEINSA-N 446.866 4.241 5 20 IIBD CC(C)Oc1ccc(Cl)cc1NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 580136635 GZAWGBCSOMQXMN-UHFFFAOYSA-N 433.892 4.411 5 20 IIBD COc1cc(CCNC(=O)Nc2csc(-c3ccccc3)n2)c([N+](=O)[O-])cc1OC 588337940 YOCCFPFQXOKHSX-UHFFFAOYSA-N 428.470 4.100 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@@H]1c1cccc2c1OCCO2 589579650 WEVPYYHVJVHLKZ-HSZRJFAPSA-N 440.499 4.290 5 20 IIBD CS(=O)(=O)c1ccccc1-n1cc(NC(=O)c2cc3ccccc3c3cccnc23)cn1 592687089 UHCIVJFDQYUBOV-UHFFFAOYSA-N 442.500 4.230 5 20 IIBD O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1C(F)(F)F)c1csc([N+](=O)[O-])c1 603761939 MLXGPPMPXJANQF-ZDUSSCGKSA-N 429.376 4.045 5 20 IIBD COc1cc(C(=O)NCCOc2cccc3ccccc23)c([N+](=O)[O-])cc1OC(F)F 603939918 VNUFMRYGTILFAQ-UHFFFAOYSA-N 432.379 4.167 5 20 IIBD COC(=O)Cc1csc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)n1 604572468 DQSJRFCTJBFMPX-UHFFFAOYSA-N 429.479 4.170 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])Nc1cc(Br)cnc1OCC(F)(F)F 609636353 WGKFJEGCUYOOOL-UHFFFAOYSA-N 449.183 4.015 5 20 IIBD O=C(COc1ccc(Br)cc1Cl)N1CCCc2ccc([N+](=O)[O-])cc21 609859763 JJXQQBGTQSQQKB-UHFFFAOYSA-N 425.666 4.369 5 20 IIBD COc1cc(C(=O)N2CCN([C@H](C)c3nc4ccccc4s3)CC2)cc([N+](=O)[O-])c1C 616192213 JIHIJQLBNXXLEG-OAHLLOKOSA-N 440.525 4.041 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2ccccc2NCc2ccccc2)c([N+](=O)[O-])c1 726831926 VLXCKZOPXWQOQA-UHFFFAOYSA-N 435.436 4.011 5 20 IIBD O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 727435899 VAKBVYIQJULTPT-IBGZPJMESA-N 436.295 4.372 5 20 IIBD O=C(COC(=O)CCc1ccc(OC(F)(F)F)cc1)Nc1ccc([N+](=O)[O-])cc1Cl 727534666 ILJRVDSRNLTXNK-UHFFFAOYSA-N 446.765 4.261 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)OC(C)(C)C)Cc2ccccc21 728004344 KSBGZYQRCHLYBO-UHFFFAOYSA-N 440.500 4.058 5 20 IIBD CN(C[C@@H](O)COc1ccccc1C(F)(F)F)c1nc2ccc([N+](=O)[O-])cc2s1 731208708 GDYFTFFKXJJMAF-GFCCVEGCSA-N 427.404 4.099 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 731831049 HDJKWSKXYYJKQY-NRFANRHFSA-N 440.887 4.020 5 20 IIBD Cc1sc(NC(=O)[C@@H]2CC(c3c(F)cccc3F)=NO2)nc1-c1cccc([N+](=O)[O-])c1 736005836 MQQAVRFBMGCYEO-INIZCTEOSA-N 444.419 4.437 5 20 IIBD Cc1c(C(=O)Nc2ccc(O[C@H]3CCCC[C@@H]3O)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 736171787 UWQAVPURSUINKS-OALUTQOASA-N 429.429 4.054 5 20 IIBD COc1cc(COc2ccc([N+](=O)[O-])cc2Br)c([N+](=O)[O-])cc1OC(F)F 737399320 KTBWQHHVSPHNRP-UHFFFAOYSA-N 449.160 4.455 5 20 IIBD CC[C@H]1CN(C(=O)c2ccc(I)c([N+](=O)[O-])c2)c2ccccc2O1 742001063 UBOHBKCXUSSLRL-LBPRGKRZSA-N 438.221 4.017 5 20 IIBD C[C@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 745334894 JFWGCJKGJGSTOL-NEPJUHHUSA-N 425.268 4.253 5 20 IIBD C[C@H](OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1nnc(-c2cccc(Cl)c2)o1 746102094 ZDHPFUBXKOSVOP-LBPRGKRZSA-N 439.815 4.402 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)OCC2CCSCC2)cc1[N+](=O)[O-] 747144127 LZKTUMWOWSKGJF-UHFFFAOYSA-N 428.510 4.192 5 20 IIBD CCC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])cc1 747458217 LJPAXTGPAZFPTB-UHFFFAOYSA-N 426.450 4.378 5 20 IIBD Cc1c(C(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748949367 GHELWOHGXZGLKD-UHFFFAOYSA-N 438.392 4.072 5 20 IIBD Cc1cc(C(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)c(C)n1CC(F)(F)F 750426964 IHCVOANZSOLUDQ-UHFFFAOYSA-N 440.422 4.044 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 750576538 DZBJARQMCNUIBI-FUHWJXTLSA-N 446.548 4.103 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cnc3n2CCCC3)cc1)c1cc([N+](=O)[O-])ccc1Cl 750691553 SMWPEOXBTDONFH-UHFFFAOYSA-N 440.843 4.253 5 20 IIBD O=C(OCc1nc(O)c2c(-c3ccccc3)csc2n1)c1cc(F)cc([N+](=O)[O-])c1 752196663 JQFMYHHBALACPV-UHFFFAOYSA-N 425.397 4.468 5 20 IIBD Cc1c(Br)cc(C(=O)N[C@@H](C)c2cccc(N3CCOC3=O)c2)cc1[N+](=O)[O-] 753047830 UZHSXYVSFPANCD-LBPRGKRZSA-N 448.273 4.113 5 20 IIBD CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc(F)cc(C)c1[N+](=O)[O-] 753353364 VYYAYGPRFLJLHA-UHFFFAOYSA-N 428.247 4.450 5 20 IIBD COc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c(OC)cc1Cl 754958842 RLJXJROHZQNQPQ-UHFFFAOYSA-N 433.617 4.419 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])N(Cc1ccccc1)C[C@H](O)c1cccs1 756050054 WXVNCGKGYGKFQB-FQEVSTJZSA-N 425.510 4.144 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])O[C@H]([C@@H]1CCCO1)C(F)(F)F 758003500 DELKFZCKOLOREI-GXFFZTMASA-N 433.326 4.359 5 20 IIBD CCOC(=O)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)c1cccc(C)c1C 759197976 FAUQKYJYGFTSPG-KRWDZBQOSA-N 435.274 4.008 5 20 IIBD C[C@@H](Sc1nc2ccccc2s1)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 762905653 DZVGXANWOYSBJQ-LLVKDONJSA-N 432.479 4.295 5 20 IIBD C[C@@H](C(=O)OCC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 763406439 XDTMMHCJFWZDAS-MRXNPFEDSA-N 432.432 4.377 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 763553048 QXEJACVFPAREOL-UHFFFAOYSA-N 449.916 4.366 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)OCc1nnc(-c2ccccc2)s1 766728049 BARVHGSFWPDQOX-UHFFFAOYSA-N 434.271 4.162 5 20 IIBD COc1cccc(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1[N+](=O)[O-] 769602387 FJULITBEKPKKDK-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD CCCCn1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c(C)n1 770493301 BYHHSQCIYNHXAZ-LBPRGKRZSA-N 442.394 4.103 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C1CCN(c3ccc(C(F)(F)F)cn3)CC1)CC2 773990065 MOYMBICVQPIVTR-UHFFFAOYSA-N 434.418 4.123 5 20 IIBD Cc1nn(C)c(C)c1[C@@H](C)C(=O)O[C@H](c1ccc(Br)cc1)C(C)(C)[N+](=O)[O-] 774373204 LPLKQEUDGABWSK-PIGZYNQJSA-N 438.322 4.243 5 20 IIBD Cc1ccc(N(C)C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1Br 776416089 MNFZJFNMUWPXJP-UHFFFAOYSA-N 429.274 4.343 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2cc(C)n(-c3ccccc3Cl)n2)cccc1[N+](=O)[O-] 776437056 VKCNVHABMYBZSW-AWEZNQCLSA-N 442.859 4.235 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(Nc3cccc(C[S@@](=O)C4CCOCC4)c3)CC2)cc1 777694436 CGGGRUGXXYVMSW-WJOKGBTCSA-N 443.569 4.103 5 20 IIBD O=C(NCCc1ccccc1)c1ccc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc1 777955164 UQAVVZAAORKOAR-UHFFFAOYSA-N 439.418 4.298 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NOCCC(F)(F)F)cc1[N+](=O)[O-] 779325794 HANRWKJRCUTPHP-UHFFFAOYSA-N 428.388 4.162 5 20 IIBD O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1c2c(nc3ccccc13)CCC2 780336613 NYIMGDZCLUZLTR-UHFFFAOYSA-N 432.480 4.100 5 20 IIBD C[C@@H](OC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1noc(-c2ccccc2)n1 781827846 VDHPTMWTVFRGJJ-LLVKDONJSA-N 436.346 4.380 5 20 IIBD CN1CCN(c2ccc(NC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])cc2)CC1 781957131 CCCGXQYXTDQOGS-UHFFFAOYSA-N 446.507 4.178 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 781980776 UYLLJVYMZDNYJM-OAQYLSRUSA-N 447.875 4.061 5 20 IIBD Cc1ccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2Br)N2CCCC2)cc1 782166800 LQRXVAKNZOHKRN-GOSISDBHSA-N 432.318 4.233 5 20 IIBD Cc1ccc(-c2ncccc2NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)s1 782954151 NLNKLRROHKJMFL-CYBMUJFWSA-N 440.456 4.157 5 20 IIBD COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1cccc([N+](=O)[O-])c1Br 786364433 FAQOGZHOMHMWRY-HNNXBMFYSA-N 427.682 4.470 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)c1 787665358 MPACAXQILADSNR-UHFFFAOYSA-N 432.476 4.394 5 20 IIBD C[C@@H](CC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C(=O)c1ccccc1 791173789 GOADWRSKPIRISK-ZDUSSCGKSA-N 431.286 4.151 5 20 IIBD Cc1nc2ccccc2n1C1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 796462501 DFRBNOWCXHQCTJ-UHFFFAOYSA-N 427.892 4.182 5 20 IIBD CC(=O)c1cc(Br)ccc1OCC(=O)Oc1cc(Cl)ccc1[N+](=O)[O-] 796911097 GJLQFQMKAVEPJF-UHFFFAOYSA-N 428.622 4.198 5 20 IIBD O=C(COC(=O)c1ncccc1Oc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl 799560530 KMMWSBXRGICANC-UHFFFAOYSA-N 427.800 4.231 5 20 IIBD Cc1ccc(C2=NO[C@H](CNC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)C2)cc1 800670613 AZQSXWPOLKOXRY-KRWDZBQOSA-N 447.441 4.191 5 20 IIBD O=[N+]([O-])c1ccc(F)c(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Br)c1 800928938 ZYCQQYKNYMCOJD-UHFFFAOYSA-N 443.172 4.316 5 20 IIBD Cc1[nH]nc(NC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])c1-c1ccccc1 806719079 VDYZMYPRHQKPRF-UHFFFAOYSA-N 444.289 4.131 5 20 IIBD C[C@@H](OC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1ccc(SCC(=O)N(C)C)cc1 809069881 GEGLZOUJQULWNF-CYBMUJFWSA-N 427.482 4.174 5 20 IIBD C[C@H](OC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)s1)C(=O)Nc1cccc([N+](=O)[O-])c1 811288369 FFIIZOFCIHYIEH-LBPRGKRZSA-N 449.485 4.212 5 20 IIBD O=C(CN1CCC(NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1)Nc1ccccc1 811472518 FLCOOAFXCRMRES-UHFFFAOYSA-N 437.327 4.094 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)c(F)cc2Cl)c([N+](=O)[O-])c1 815504303 RETFYXBLKQVUQI-MRVPVSSYSA-N 431.203 4.233 5 20 IIBD COc1ccc(CSCC(=O)O[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] 816452528 BXRIADASCVEVGW-LAUBAEHRSA-N 444.553 4.290 5 20 IIBD CSc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)cc1[N+](=O)[O-] 853691233 XLPLTFUJPOPUFS-AWEZNQCLSA-N 429.498 4.101 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c(F)c1 853805268 UHBUFJKSNYBJAG-INIZCTEOSA-N 443.475 4.463 5 20 IIBD CCCN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)[C@H](C)c1ccccc1OC 914508501 LEIYRAYASZJANV-QGZVFWFLSA-N 427.501 4.053 5 20 IIBD CCC[C@@H](NC(=O)[C@H](C)OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccc1 917219159 ASEMRLNYXCDLIN-FXAWDEMLSA-N 439.512 4.398 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1cc2c(cc1Br)OCCO2 917787765 LIQOXUQXHYRCOZ-SECBINFHSA-N 441.665 4.273 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)c1cnc2c(cnn2Cc2ccccc2)c1 918534135 JNOYFEZWJKUFJM-UHFFFAOYSA-N 432.436 4.144 5 20 IIBD COc1cc(C(=O)N[C@@H](C)c2ccc(C)s2)c([N+](=O)[O-])cc1OCc1cscn1 919883062 AKUGSLZCGAPNDG-LBPRGKRZSA-N 433.511 4.500 5 20 IIBD Cn1cc(C(=O)Oc2ccc(OCc3ccncc3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 920104965 PAEWKUMFDSPDSL-UHFFFAOYSA-N 430.420 4.189 5 20 IIBD Cc1ccc(-c2ccsc2C(=O)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 920334115 WOVFTVWKJOUYEC-UHFFFAOYSA-N 436.898 4.404 5 20 IIBD COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)ccc1NC(=O)OC(C)(C)C 921294029 AJTUMAANNWPMBJ-UHFFFAOYSA-N 437.474 4.060 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(-c2nnn(-c3cccc4cnccc34)c2C)n1 1116590857 JJQLIFVRSAPANF-UHFFFAOYSA-N 427.424 4.366 5 20 IIBD C[C@@H](Oc1ccccc1F)c1nnc(-c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)o1 1117161436 CCFNPFRYZUAXOB-LLVKDONJSA-N 442.432 4.204 5 20 IIBD O=C1Nc2ccccc2[C@H]1C1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 1318226986 LGUXQTVEZLGACW-GOSISDBHSA-N 446.410 4.176 5 20 IIBD O=C(OCC(=O)N(CC(F)(F)F)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])c(F)c1 1318633967 ZNDLIRHVNAUMLJ-UHFFFAOYSA-N 434.729 4.140 5 20 IIBD O=[N+]([O-])c1ccc(CNc2cc(F)c(N3CCOCC3)cc2F)c(Br)c1 1321870341 BPESCKIUPAJBML-UHFFFAOYSA-N 428.233 4.084 5 20 IIBD Cc1cc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])nc(C)c1Br 1322165761 REQDZXNWLJLFIK-UHFFFAOYSA-N 435.097 4.445 5 20 IIBD C[C@@H](Oc1cccc(Br)c1)c1nnc(-c2cc([N+](=O)[O-])cc3c2OCCO3)o1 1326151567 QZFWYERJRGIWIY-SNVBAGLBSA-N 448.229 4.319 5 20 IIBD CCS(=O)(=O)Nc1cccc(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1 1339187635 HUSYWCVHQSLYLY-UHFFFAOYSA-N 441.465 4.401 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)C3(c4cccc([N+](=O)[O-])c4)CCC3)CCC2)cc1)C(F)F 1787709491 LWPQYJGNDNYPSZ-UHFFFAOYSA-N 443.450 4.416 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1)c1ccc(Cl)cn1 1790185426 CRSMWKKAXTUPBP-UHFFFAOYSA-N 439.859 4.033 5 20 IIBD C[C@@H]1C[C@]1(C)C(=O)Nc1ccc(C2(NC(=O)Cc3cc([N+](=O)[O-])ccc3F)CCC2)cc1 1790420345 JKGHYYXTOVKEPC-CMJOXMDJSA-N 439.487 4.457 5 20 IIBD CC[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1793944174 LYMTVCKHFCTHLA-WSJSTIOHSA-N 441.572 4.382 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cccc([N+](=O)[O-])c2)n[nH]1 1815536152 OMMNKCIWZOQOKJ-OXJNMPFZSA-N 441.532 4.379 5 20 IIBD O=C(CC1CC1)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 1824162276 RACDHKHPRUSASE-FQEVSTJZSA-N 447.963 4.211 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2Cl)CC1 1829893171 OGCPXRQECJORSB-GOSISDBHSA-N 445.903 4.388 5 20 IIBD Cc1ccc(NC(=O)c2ccc(OS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)cc1 3607992 BIJHRIMMIUJDDI-UHFFFAOYSA-N 426.450 4.232 5 20 IIBD CCCOc1c(Cl)cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC 12252764 FJKMOVPIMURWQG-LBPRGKRZSA-N 436.848 4.230 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 15033850 LYEJHKKDTKLPTF-UHFFFAOYSA-N 447.417 4.258 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(F)c3c2C(=O)C[C@@H]3C)c([N+](=O)[O-])c1 15141313 RLAYVHCIAKNNLQ-LBPRGKRZSA-N 436.461 4.247 5 20 IIBD COc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2-c2cccs2)cc1[N+](=O)[O-] 15359183 VEIYAJVCXNMFFV-UHFFFAOYSA-N 436.423 4.008 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(F)(F)F)cc1 15579023 HCNYFGVHBDEWIQ-INIZCTEOSA-N 441.431 4.104 5 20 IIBD CCCn1c(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nnc1-c1cccc(C)c1 21114171 DDYBSCLQKNISJK-UHFFFAOYSA-N 429.477 4.442 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccc(CO)cc1 23646478 OVCUSOLVDHQFBM-FQEVSTJZSA-N 440.839 4.277 5 20 IIBD COc1cccc([C@@H](CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)N2CCCC2)c1 25182280 NZUUOIHIKDKWGU-IIBYNOLFSA-N 429.542 4.037 5 20 IIBD CCCCn1c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nc2ccccc2c1=O 28614752 OWCNCISYESMHOD-UHFFFAOYSA-N 437.481 4.447 5 20 IIBD Cc1ccc(F)cc1NC(=O)[C@@H](C)OC(=O)Cn1c2ccccc2c(=O)c2ccccc21 28774944 NHHRBJHRXFGGRW-MRXNPFEDSA-N 432.451 4.173 5 20 IIBD Cc1csc(Sc2ccc(C(=O)OCC(=O)N3CCCC[C@@H]3C)cc2[N+](=O)[O-])n1 28808026 RXGYTAWIZNEQMI-ZDUSSCGKSA-N 435.527 4.069 5 20 IIBD O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 35924553 IMZHGVIEYSZGSH-UHFFFAOYSA-N 435.436 4.408 5 20 IIBD CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 64470491 GUGFJKWZIVRWDR-UHFFFAOYSA-N 434.418 4.299 5 20 IIBD O=C(NCc1cccc(NC(=O)C2CCC2)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 64907947 KTWMZDXBGOFOCA-UHFFFAOYSA-N 436.493 4.387 5 20 IIBD O=C(NCc1ccc(OCCOc2ccccc2)nc1)c1ccc(Cl)c([N+](=O)[O-])c1 71938157 WRZOLESKBDWDEI-UHFFFAOYSA-N 427.844 4.031 5 20 IIBD CNS(=O)(=O)c1ccc([C@H](C)NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 237391559 FKTSPJOHHLYXMS-ZDUSSCGKSA-N 449.916 4.267 5 20 IIBD Cc1c(Cl)cccc1NC(=O)CCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 301141688 ILUFYJRKHIDHLN-UHFFFAOYSA-N 430.892 4.233 5 20 IIBD Cc1cnc(N2CCC[C@@H]2c2nc(Cc3ccc(Br)cc3)no2)c([N+](=O)[O-])c1 301416541 CEPFBBQWUXIURV-OAHLLOKOSA-N 444.289 4.376 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCO[C@H](c2ccc(Br)cc2)C1 303037828 SEJFASHUOVUWTA-IBGZPJMESA-N 448.317 4.068 5 20 IIBD O=C(NCCCc1ccc(Br)cc1F)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 303725706 SOUQLFSSPIYJRY-UHFFFAOYSA-N 447.264 4.045 5 20 IIBD COCCN(Cc1cc(Br)cs1)C(=O)c1cc(SC)ccc1[N+](=O)[O-] 427749812 VSUIHWINTHZJRZ-UHFFFAOYSA-N 445.360 4.430 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(CO)C[C@H]1c1ccc(F)cc1 430138844 OJEBOPZAXGZKOH-SIKLNZKXSA-N 432.517 4.378 5 20 IIBD COc1ccc(-c2nc(CC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)cs2)cc1OC 430520822 BTNHXBRFJCCQPX-UHFFFAOYSA-N 441.509 4.330 5 20 IIBD O=C(c1c(Cl)cncc1Cl)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 430886061 RABFHBBNMFMIFB-UHFFFAOYSA-N 449.216 4.278 5 20 IIBD CCOc1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])c(OCC)c3)CC2)c(C)c1 431961654 WLZQKLSMMIFKEM-UHFFFAOYSA-N 428.489 4.055 5 20 IIBD O=C1COc2c(cccc2C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)N1 435444106 QQDIGQUIGGQLNR-UHFFFAOYSA-N 427.463 4.391 5 20 IIBD C[C@H]1CCCN(C(C)(C)CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 436146043 BOLPHKXHLRUQCY-AWEZNQCLSA-N 427.495 4.200 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCO[C@@H](c2cccc(F)c2)C1 436340267 IKZOFGNPKUPDBV-HXUWFJFHSA-N 438.405 4.312 5 20 IIBD C[C@H]1C[C@H](C)CN(c2nnc(SCc3cc(O)ccc3[N+](=O)[O-])n2Cc2ccco2)C1 436474683 MLILGFGJEYSZPL-GJZGRUSLSA-N 443.529 4.308 5 20 IIBD Cc1nc(-c2ccccc2)sc1NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 438653916 GLZBQYSSBSHVES-UHFFFAOYSA-N 438.509 4.402 5 20 IIBD Nc1c(C(=O)Nc2ccc(Cl)c(C(=O)NCc3cccs3)c2)cc(F)cc1[N+](=O)[O-] 438921534 XUVXYXSTKNZVET-UHFFFAOYSA-N 448.863 4.213 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1ccccc1)C1CCCCC1 439860000 FGQODNDGRFHHKA-UHFFFAOYSA-N 425.485 4.294 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)Nc2ccc3c(c2)ncn3C)cc1[N+](=O)[O-] 440524256 CRQOIEATYNVNTC-UHFFFAOYSA-N 443.463 4.031 5 20 IIBD C[C@H]1CN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 440871753 GCTYWFWRHAIZIN-KSFYIVLOSA-N 428.510 4.156 5 20 IIBD O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444086770 YCAXBSCCDXSRNK-LJQANCHMSA-N 449.869 4.009 5 20 IIBD C[C@H](NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1nc(C(C)(C)C)no1 444116473 WEANVMZXQWEDTI-JTQLQIEISA-N 426.423 4.131 5 20 IIBD C[C@H](O)C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccccc1 444229733 WHUZBHZIPYWYAV-GOEBONIOSA-N 436.458 4.244 5 20 IIBD C[C@@H](NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)[C@H]1CCCN(C2CCC2)C1 444304055 OPNMANODXOBBNG-CABCVRRESA-N 439.506 4.342 5 20 IIBD C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 444409308 JJROHFXGCKLZFW-JLTOFOAXSA-N 426.860 4.036 5 20 IIBD COc1cc(-c2nc(-c3c([N+](=O)[O-])nc(C)n3C)no2)cc(Cl)c1OCCC(C)C 445611631 YMBRWBONDMLEDD-UHFFFAOYSA-N 435.868 4.441 5 20 IIBD COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)CCc1cccc([N+](=O)[O-])c1 446155482 DVNCBZGBPBKSMS-GOSISDBHSA-N 425.268 4.207 5 20 IIBD CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 446534493 AECLTIPTEBRYIY-KXBFYZLASA-N 449.515 4.143 5 20 IIBD CCc1cc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)nc(C)n1 460400575 LAZWPXGTMILIQP-UHFFFAOYSA-N 437.422 4.130 5 20 IIBD CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccccc1 460470886 WIXMKTHJCXXWNL-NRFANRHFSA-N 437.883 4.252 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1 462999496 YBYNENNXFAUMBR-PZJWPPBQSA-N 439.556 4.180 5 20 IIBD C[C@@H](c1ccc(Cl)cc1)N1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 463083647 HGOWBMIBZFHVSL-HNNXBMFYSA-N 428.920 4.024 5 20 IIBD CO[C@@H](CNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)c1cccc(Cl)c1 464597106 UQPUDXZVFNYQLK-FQEVSTJZSA-N 442.903 4.227 5 20 IIBD CCOc1ccc(OCCCC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 464638444 MAODBETVMPBVAG-UHFFFAOYSA-N 428.485 4.223 5 20 IIBD CCc1cccc2c1OCC[C@H]2NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465836329 NIWFMHPWRVGTDC-OAQYLSRUSA-N 425.485 4.234 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(CCN2CCSCC2)cc1 467153424 VDOSDCNPHFDXPL-UHFFFAOYSA-N 434.949 4.161 5 20 IIBD CCOc1c(Cl)cc(NC(=O)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1Cl 467860909 BSPGIKATAYQNNK-UHFFFAOYSA-N 446.674 4.209 5 20 IIBD COCCCC[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 471339018 ZDARJMYTWHIYRT-OAQYLSRUSA-N 425.529 4.485 5 20 IIBD O=C(Nc1ccc(N2CCCCC2)c2ncccc12)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 471406382 KHUBIMPPMQVTKX-UHFFFAOYSA-N 449.515 4.199 5 20 IIBD Cc1cc(C)c(C(=O)O)cc1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 472010869 GGOCTEWQSXSSDY-UHFFFAOYSA-N 425.363 4.369 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1cc(-c2ccc(F)cc2)on1)c1ccccc1[N+](=O)[O-] 474917658 KFNBUXAWRYGEQH-KRWDZBQOSA-N 441.415 4.202 5 20 IIBD Cc1cc(=O)c(C(=O)N2CC(C)(C)c3c(Cl)cccc32)nn1-c1ccccc1[N+](=O)[O-] 477844739 FLLAXNVXPLBKRB-UHFFFAOYSA-N 438.871 4.041 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F 478914439 XFIJTECZNSQAGW-AWEZNQCLSA-N 448.195 4.231 5 20 IIBD Cc1cc(-c2nc(C3CC3)no2)ccc1NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] 480223108 HSGGJOUXOLAWJX-UHFFFAOYSA-N 428.470 4.248 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Br 480238050 SKVAUZRQRARLND-QMMMGPOBSA-N 449.227 4.224 5 20 IIBD C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCCn2ccc([N+](=O)[O-])n2)nnc1-c1ccco1 481251484 AAKAAQLPAIFFLC-FXUDXRNXSA-N 428.518 4.432 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCc3ccccc3CN(C)C(C)C)cc2)c(C)c1[N+](=O)[O-] 484614262 NSVSLGISUGAYEC-UHFFFAOYSA-N 449.555 4.227 5 20 IIBD O=C(Cc1cccc(N2CCCC2=O)c1)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] 485685411 UBJDQNLMLIGONX-UHFFFAOYSA-N 445.475 4.482 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCOc1ccc(Br)cc1 486404417 ZQYFTWDGQHTAIG-UHFFFAOYSA-N 425.304 4.278 5 20 IIBD COC(=O)c1cc(NC(=O)NC[C@@H](c2ccccc2)C(F)(F)F)c(C)c([N+](=O)[O-])c1 486876601 DQIQXRJSDJIWLM-AWEZNQCLSA-N 425.363 4.157 5 20 IIBD COc1c(F)cc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1[N+](=O)[O-] 488221939 OCNCZOWEKOTZOM-UHFFFAOYSA-N 428.747 4.216 5 20 IIBD O=C(CN1CCC(n2ccc([N+](=O)[O-])n2)CC1)Nc1c(Cl)cc(Cl)cc1Cl 488742273 DOQVAAOGERJILZ-UHFFFAOYSA-N 432.695 4.027 5 20 IIBD CCOc1cc(CN(C)CC(=O)Nc2ccc(Br)cc2C)ccc1[N+](=O)[O-] 492374157 GSMMMFWEFRKESU-UHFFFAOYSA-N 436.306 4.135 5 20 IIBD CCc1nnc(O)c(CNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1CC 494133338 BWRHWBCSFOMEGV-UHFFFAOYSA-N 437.456 4.329 5 20 IIBD Cc1ccc(C(=O)Nc2cccc(CNc3cccc(S(C)(=O)=O)c3[N+](=O)[O-])c2)cc1 497538493 LFSWCPWNIDFXBN-UHFFFAOYSA-N 439.493 4.171 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@H](C)c2cccnc2)c([N+](=O)[O-])c1 497746455 TWIHIBMJMKWFIG-MRXNPFEDSA-N 426.498 4.378 5 20 IIBD CCNc1ccc(C(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)cc1[N+](=O)[O-] 501402318 YVSYUZJOQYKEOU-UHFFFAOYSA-N 436.443 4.348 5 20 IIBD COc1cc(C(=O)N(Cc2csc(Br)c2)C2CC2)cc([N+](=O)[O-])c1OC 502366512 ASOUACZTOKURBG-UHFFFAOYSA-N 441.303 4.241 5 20 IIBD CCCN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCCN(Cc2ccccc2)C1 505000597 HLRBNMRHWHZXND-QHCPKHFHSA-N 447.539 4.297 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN[C@H](c1c(F)cccc1F)C(F)(F)F 506321516 QEEKGBKMSHESPB-MRXNPFEDSA-N 431.317 4.064 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCC([C@H](F)c2ccccc2F)CC1 506580694 WFGCJELWUGJZEA-SFHVURJKSA-N 437.830 4.275 5 20 IIBD C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1I 508803070 MWVFAYDTZAPUEI-VIFPVBQESA-N 446.191 4.311 5 20 IIBD CCOc1ccccc1Oc1ccc(CNCc2cc(OC)c(O)cc2[N+](=O)[O-])cn1 509563792 LIGOJZVHLNHBIB-UHFFFAOYSA-N 425.441 4.185 5 20 IIBD COc1c(F)cc(F)cc1NC(=O)c1cc([N+](=O)[O-])cc(I)c1C 510319290 AMPVMYWBPKDBSS-UHFFFAOYSA-N 448.163 4.047 5 20 IIBD CCN(Cc1ccccc1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)C(C)=O 510600128 MQGDLWUWOYTBFG-UHFFFAOYSA-N 434.290 4.286 5 20 IIBD COc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)cc1[N+](=O)[O-] 515758791 PDQBWWPOVRTOHD-FQEVSTJZSA-N 432.885 4.325 5 20 IIBD C[C@@H](NC1(Cc2ccc(F)cc2Cl)CCOCC1)C(=O)Nc1ccccc1[N+](=O)[O-] 519189462 AWFMVYKOYLZRNK-CQSZACIVSA-N 435.883 4.096 5 20 IIBD O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 520692048 OAUYMJWSMFHQBA-UHFFFAOYSA-N 443.467 4.018 5 20 IIBD CCOc1ccccc1[C@H](CC)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 522570569 YLZHMFFCHCEBOG-FPOVZHCZSA-N 439.512 4.174 5 20 IIBD Cc1cnc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)CC2)s1 522924187 ZDQDFLBTXZAWQO-UHFFFAOYSA-N 440.550 4.473 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 523300470 SFROOJMMDQYAKP-AWEZNQCLSA-N 428.832 4.024 5 20 IIBD C[C@H](c1nc(-c2cccs2)no1)N1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 523860582 VTYQZOHGRAQHFA-CYBMUJFWSA-N 433.921 4.239 5 20 IIBD CCCc1ncc(C(=O)N(CCOC)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)s1 525117853 FRPPPPCLCUAQOU-UHFFFAOYSA-N 432.527 4.421 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCC(Sc2ccc(Cl)cc2)CC1 533445355 DXIPXNZAPVABMI-UHFFFAOYSA-N 434.901 4.416 5 20 IIBD CCc1cccc2c1OCC[C@H]2NC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)OC 534221574 BNCAVGXPDMYPTP-GOSISDBHSA-N 444.509 4.066 5 20 IIBD CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](CN1CCN(C)CC1)c1ccccc1 535063587 ANWIGXFZPGRMQZ-RTWAWAEBSA-N 428.602 4.044 5 20 IIBD Cc1onc(-c2cccc(Br)c2)c1C(=O)NCCc1cccc([N+](=O)[O-])c1 535444507 APWYNGWFWOYQBI-UHFFFAOYSA-N 430.258 4.293 5 20 IIBD O=C(C[C@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)c1ccco1 535906310 RAEMBYQYAMPLLX-KRWDZBQOSA-N 436.420 4.094 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] 537438025 KGEIXZDTWBHSTE-RDJZCZTQSA-N 435.402 4.313 5 20 IIBD O=C(NCCNc1ncnc2ccc([N+](=O)[O-])cc12)[C@H]1C[C@H]1c1ccc2ccccc2c1 537730652 LPSDWSDAXDNKGI-PMACEKPBSA-N 427.464 4.023 5 20 IIBD CC(=O)CCc1ccc(OCC(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cc1 538254330 NLDNDYVKWUSGCE-UHFFFAOYSA-N 439.493 4.282 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(CCCc2ccccc2)C1=O 539372857 JLGJKJSVQCUUOU-HXUWFJFHSA-N 441.553 4.059 5 20 IIBD CC(C)(C)NC(=O)N1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 539599090 FHIOPGZTMJXYJC-UHFFFAOYSA-N 440.500 4.089 5 20 IIBD C[C@]1(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCCN(C(=O)c2ccccc2)C1 541997426 OIHNYNLGVXFBCX-FQEVSTJZSA-N 435.402 4.495 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 542067827 FCGTXXYGKQBTIE-LJQANCHMSA-N 433.386 4.238 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 542569247 OFTLUKYNBZXJSL-QFBILLFUSA-N 434.489 4.123 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(F)c(OC(C)C)c(F)c2)ccc1[N+](=O)[O-] 543135870 FXWSIBXUUMRFHK-IBGZPJMESA-N 447.438 4.212 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C)c1ccc(OCC(C)C)c(OC)c1 544110820 SIPNUGADFSSXFY-OAHLLOKOSA-N 431.489 4.207 5 20 IIBD CCOc1cn(-c2ccccc2)nc1-c1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 545076804 IWVKWPYCGJMXPA-UHFFFAOYSA-N 430.424 4.301 5 20 IIBD NC(=O)c1ccc(SCc2nc(CSc3ccc(Cl)cc3)no2)c([N+](=O)[O-])c1 545526947 HOZFRMWAPFQENB-UHFFFAOYSA-N 436.902 4.315 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccccc2C[S@](C)=O)cc1[N+](=O)[O-])c1ccccn1 545817833 XBZCBYNBTNUCGA-QLCIJSRNSA-N 438.509 4.294 5 20 IIBD COc1cc(Cc2noc(-c3ccc(F)cc3[N+](=O)[O-])n2)ccc1OCC(F)(F)F 546351198 QQRNOIRAKDQAPW-UHFFFAOYSA-N 427.310 4.324 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CC[C@H](c4cccc(F)c4)C3)n2C[C@@H]2CCOC2)c1 550050221 WHWVTTKMYSWIPN-LPHOPBHVSA-N 437.475 4.023 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C 550289937 VKCLGVMADCJJCG-XOBRGWDASA-N 446.345 4.306 5 20 IIBD CCCCCOc1ccc([C@H](C)Nc2nc(O)c3cc([N+](=O)[O-])ccc3n2)cc1OC 552958048 ZNPIJJXHKOXGEI-AWEZNQCLSA-N 426.473 4.994 5 20 IIBD CC(C)c1noc(Cc2ccc(NC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)cc2)n1 558795136 ZGQDDNFBTHOXCE-UHFFFAOYSA-N 446.467 4.345 5 20 IIBD CCc1[nH]nc(C(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)c1[N+](=O)[O-] 561645665 OPGOGTOASNQDBV-UHFFFAOYSA-N 447.373 4.404 5 20 IIBD COc1ccc([C@@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c(C)c1OC 561720619 SMCKFMGCEBQOKB-GFCCVEGCSA-N 437.290 4.103 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N1CCC[C@H](c2nc3ccccc3s2)C1 570034521 XUZGPCTXWRTNIH-ZDUSSCGKSA-N 436.497 4.170 5 20 IIBD C[C@@H](NCc1cc(I)cc([N+](=O)[O-])c1)c1cccc(-n2cccn2)c1 582031710 XCIOQHLZHBHSFU-CYBMUJFWSA-N 448.264 4.236 5 20 IIBD CNC(=O)CC[C@@H]1CCCCN1Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 584021518 YCHSTTLEAKOLDF-FQEVSTJZSA-N 441.528 4.063 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1SCC(F)(F)F 591759277 KBEYZYXGVAROMX-UHFFFAOYSA-N 427.404 4.008 5 20 IIBD COc1ccc([N+](=O)[O-])cc1OCC(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 603898017 KCRIMARXJUBQIK-FQEVSTJZSA-N 445.475 4.412 5 20 IIBD CC(=O)N(c1ccc(C)cc1)c1nc(Cn2cc(Br)c([N+](=O)[O-])n2)cs1 603947736 VEDBDEHMMLEOJX-UHFFFAOYSA-N 436.291 4.052 5 20 IIBD CCCOc1ccc(Cl)cc1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 603977635 WNIFEQVOAAIMDG-UHFFFAOYSA-N 433.848 4.364 5 20 IIBD CC(=O)N[C@@H](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1)c1cccs1 603997381 YMRCJQOPISCSLY-HNNXBMFYSA-N 430.511 4.294 5 20 IIBD COc1ccc(CNC(=O)Nc2ccccc2CN2CCc3ccccc32)cc1[N+](=O)[O-] 604086300 ZHRJPVFLKGVEGV-UHFFFAOYSA-N 432.480 4.488 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CCC(=O)c1ccc2c(c1)OCCCO2 604346595 PVDBBEMTWYZGSU-UHFFFAOYSA-N 426.469 4.156 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 608800752 DELZWGYYHHMTOB-OAHLLOKOSA-N 442.859 4.083 5 20 IIBD CC(C)c1nc(CCNC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cs1 608837677 WCTZGHYMZADPHV-UHFFFAOYSA-N 445.467 4.147 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 608962960 MLEUCTTZCBVWKX-ADLMAVQZSA-N 443.258 4.408 5 20 IIBD Cc1nnc(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)n1CCc1cccs1 609009385 VFEYMLGQKDAYGI-UHFFFAOYSA-N 428.499 4.141 5 20 IIBD O=C(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 609053652 GMTWAFAFDUVPPX-QFIPXVFZSA-N 447.882 4.413 5 20 IIBD Cc1cccc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)c1I 609201921 AMBXUUIRAJDTQX-UHFFFAOYSA-N 448.220 4.150 5 20 IIBD CC(C)N(C)S(=O)(=O)c1ccc(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)cc1 609483030 QWFMKASFHBYJIG-UHFFFAOYSA-N 445.541 4.213 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(-c2ccc3c(c2)OCCO3)n1 609786594 XLRYTJYXCCAEKF-UHFFFAOYSA-N 425.828 4.263 5 20 IIBD O=C(CCn1ccccc1=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 609791839 PIARZRSSHQPLFX-UHFFFAOYSA-N 445.834 4.048 5 20 IIBD C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 609925317 LYUUMMUPAYCPDI-SNVBAGLBSA-N 427.360 4.199 5 20 IIBD CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H](C)c1ccccc1 609958491 WZRAVASSPYISNU-WBVHZDCISA-N 446.935 4.068 5 20 IIBD CCCN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@@H]1C[C@@H](OCC)C12CCCCC2 610192580 JQWNVXCNRZJIIR-NHCUHLMSSA-N 441.532 4.156 5 20 IIBD C[S@@](=O)c1ccc(CNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 610632734 PVPNNJFWXVNLOP-SSEXGKCCSA-N 425.466 4.446 5 20 IIBD CN(C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 611090923 UTDKOPVSUVBNBQ-MJGOQNOKSA-N 435.402 4.186 5 20 IIBD CN(C)CCOc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)c1 611201072 ARCQCDQKESZCFX-UHFFFAOYSA-N 443.569 4.500 5 20 IIBD Cc1ccncc1[C@@H](C)NCC(=O)Nc1cc(N[C@H](C)c2cnccc2C)ccc1[N+](=O)[O-] 611938886 BILYLJAHTCIFTQ-QZTJIDSGSA-N 448.527 4.464 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)n2)c(Br)c1 612932755 IDPMBRAMIVSYFQ-LLVKDONJSA-N 431.246 4.207 5 20 IIBD CC[C@@H]1CN(C)c2ccccc2CN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 674819414 UWGIUXYTMDLXAP-HXUWFJFHSA-N 425.532 4.412 5 20 IIBD C[C@@H](NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1cccs1 726442333 YZXOMIUNXWYVSE-GFCCVEGCSA-N 444.504 4.433 5 20 IIBD C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)c1 727711264 HURJUFYQHQXWMN-CYBMUJFWSA-N 437.905 4.064 5 20 IIBD O=C(NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 727957457 OFUUAAPEGWRCHE-NXEZZACHSA-N 449.699 4.164 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCCOc2cccc(Br)c2)cc1SC 728649020 FCKJUZUAESUXPU-UHFFFAOYSA-N 442.287 4.324 5 20 IIBD O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C/c1cccc(OCc2ccccc2C(=O)O)c1 731570001 ZXKXCUYJHKGWSN-CIAFOILYSA-N 444.399 4.217 5 20 IIBD CC(C)(C)OC(=O)NCc1cccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1 732124190 YMLPVAUTXMZZNG-UHFFFAOYSA-N 437.456 4.058 5 20 IIBD C[C@H](NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1csc2ccccc12 740914015 PBWFWOLFUPWMEC-HNNXBMFYSA-N 438.509 4.038 5 20 IIBD O=C(c1cc(Br)cnc1Cl)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 742873110 LSCFHAXWPPRMKV-UHFFFAOYSA-N 440.681 4.089 5 20 IIBD CC(C)c1ccc(C(=O)[C@@H](C)OC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 745029863 QHCBODKMCMZAPQ-RHSMWYFYSA-N 444.509 4.199 5 20 IIBD O=[N+]([O-])c1cccc([C@H](O)CSc2nnc(-c3ccc(F)cc3)n2Cc2ccco2)c1 749683740 ADJJSMYSTDBVIV-LJQANCHMSA-N 440.456 4.459 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2cc(Cl)c(Cl)cc2OC)c([N+](=O)[O-])c1 750441652 TYPBYQBZELRAFT-UHFFFAOYSA-N 443.239 4.104 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)cc1[N+](=O)[O-] 752438840 OMVFMKBANSJPII-SNVBAGLBSA-N 431.792 4.006 5 20 IIBD Cc1ccc(-c2nnc(S)n2CCC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 752746144 PCUVMGCVMZDPQF-OAHLLOKOSA-N 425.514 4.026 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 754219971 NYNJJBQBFAFNKP-UHFFFAOYSA-N 438.444 4.083 5 20 IIBD C[C@@H](OC(=O)c1cnc(Cc2ccccc2)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 756534267 JUPCELRLEJUSGU-GFCCVEGCSA-N 445.884 4.480 5 20 IIBD COc1cc(Br)ccc1-c1noc([C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 762310326 UDPIFXRQESJWDS-MRXNPFEDSA-N 445.229 4.282 5 20 IIBD CCc1noc2ncc(S(=O)(=O)Oc3ccc(-c4ccccc4)cc3[N+](=O)[O-])cc12 762518356 QAAANDXWXRPOHL-UHFFFAOYSA-N 425.422 4.128 5 20 IIBD O=C(c1cc([N+](=O)[O-])c2nsnc2c1)N1CC=C(c2cccc(Br)c2)CC1 762705715 ARWYVYRWTNVVSP-UHFFFAOYSA-N 445.298 4.292 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)OC(=O)c3cc([N+](=O)[O-])c4nsnc4c3)n2)cc1F 762975099 JFNZMAYSBFKNJX-SECBINFHSA-N 429.389 4.015 5 20 IIBD CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)c3cc(F)c([N+](=O)[O-])cc3F)cc2C1 763471838 MUKYSKAOYSEDMU-UHFFFAOYSA-N 433.411 4.419 5 20 IIBD C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1NC(=O)c1ccccc1[N+](=O)[O-] 765444543 ZAWGARZDMOSOMA-CQSZACIVSA-N 434.408 4.246 5 20 IIBD CC(=O)[C@@H](Cc1ccc(F)cc1F)OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 768648538 JKKIHMVWVKTKTF-GOSISDBHSA-N 432.404 4.354 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(O)(c2ccccc2Cl)CC1 769835076 OHKVRMIQNFTNGN-AWEZNQCLSA-N 428.876 4.343 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OCc2cn(C)nc2C(F)F)cc1 770337779 NOOFLAFWMJINSE-UHFFFAOYSA-N 433.367 4.424 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC=C(c2ccc3c(c2)OCCO3)CC1 770850937 GVSMBYKDBOAGCO-UHFFFAOYSA-N 449.507 4.286 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CC[C@H](OC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 771297730 CXMPCGUOMUSRGY-JOCQHMNTSA-N 443.294 4.350 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(Nc3cccc(N4CCN(CC5CC5)CC4)c3)CC2)cc1 776871599 JPNHSNBIPMUGLU-UHFFFAOYSA-N 435.572 4.208 5 20 IIBD CSc1ccc(C(=O)COC(=O)c2cccc(SC)c2[N+](=O)[O-])cc1NC(C)=O 777073433 GQCTWXFVEOGSMV-UHFFFAOYSA-N 434.495 4.037 5 20 IIBD O=C1[C@@H]2CSCN2C(=O)N1Cc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 777657746 ZMSJQTIQBVSHNZ-AWEZNQCLSA-N 437.836 4.017 5 20 IIBD CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 777920651 ZFJVFCSKHCQQSG-UHFFFAOYSA-N 446.237 4.481 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnn(CN3CCC[C@@H](c4nc(-c5ccc(F)cc5)no4)C3)c2)c1 777956390 JFCBOLCZCGFBNN-GOSISDBHSA-N 448.458 4.485 5 20 IIBD CCOc1ccccc1NC(=O)[C@H](OC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccccc1 778140222 KTJCZBNBWKIGSP-OAQYLSRUSA-N 435.436 4.113 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(OCc2ccccn2)c(F)c1 781693146 JEPWQTSJMILZAF-UHFFFAOYSA-N 440.387 4.187 5 20 IIBD CC[C@@H]1C[C@H](CC(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCO1 781763790 JRKVRADEDZROLY-JJRVBVJISA-N 447.513 4.184 5 20 IIBD Cc1c(C(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 782716573 MXBVKAVGWIQZDO-ADLMAVQZSA-N 433.848 4.375 5 20 IIBD COc1ccccc1[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 783319698 IHVQWHKTPBDXGY-FQEVSTJZSA-N 439.855 4.101 5 20 IIBD Cc1nc([N+](=O)[O-])c(Br)n1Cc1ccc(Br)c2cccnc12 783893661 DDBXBLBLWRQXRS-UHFFFAOYSA-N 426.068 4.221 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])Oc1ccc(-c2noc([C@H]3CCCO3)n2)cc1 783958378 VRIXSJHQYCZVEB-MRXNPFEDSA-N 427.438 4.194 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 785222745 SHOFGICQZKNWLK-OXQOHEQNSA-N 445.903 4.082 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)OCc1ccc(OCc2ccccn2)cc1 786788221 UUIORSQWGUMBED-UHFFFAOYSA-N 445.431 4.239 5 20 IIBD CN(C)C1CCN(c2ccc(NC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])cc2)CC1 790561612 VOHAFGFNZXONFO-UHFFFAOYSA-N 434.899 4.099 5 20 IIBD CCc1c(C(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cnn1C(CC)CC 791792883 BLVNAPNLUSZWRD-UHFFFAOYSA-N 429.521 4.183 5 20 IIBD COc1ccc(OC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cc1[N+](=O)[O-] 792117303 FDJSXFZDMRLRNE-QGZVFWFLSA-N 434.448 4.214 5 20 IIBD O=c1oc(-c2ccccc2[N+](=O)[O-])nn1CN1CCc2sccc2[C@@H]1c1cccs1 794616119 FUEPVWSEMVUQTK-GOSISDBHSA-N 440.506 4.140 5 20 IIBD COCC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2 795310812 DKJVMSANTOATGR-LGMDPLHJSA-N 446.459 4.392 5 20 IIBD CCc1[nH]nc(C(=O)OCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1[N+](=O)[O-] 795612098 MLFIFEFCQNAKTP-UHFFFAOYSA-N 426.376 4.380 5 20 IIBD CN1C(=O)C[C@@H](COC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@@H]1c1cccc(Cl)c1 796910477 IHLHTHIVFGJIQB-YWZLYKJASA-N 430.888 4.289 5 20 IIBD Cc1ccccc1-n1c(Sc2nc3ccccn3c2[N+](=O)[O-])nnc1-c1ccncc1 799631783 UVJGVWPNCJQESX-UHFFFAOYSA-N 429.465 4.345 5 20 IIBD O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccnn1Cc1cccs1 801463740 UJHQPGZYKRBERN-UHFFFAOYSA-N 431.524 4.242 5 20 IIBD COc1ccccc1/C=C(\C(=O)OCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 801519800 XHBXHIBBDUTROV-JWGURIENSA-N 446.459 4.350 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccc(Cl)c(SC(=O)N(C)C)c2)cc([N+](=O)[O-])c1F 808116661 DKIZIXSDUQWFHR-UHFFFAOYSA-N 447.897 4.270 5 20 IIBD CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2cscc2C(F)(F)F)NC(=S)N1 811674333 UIXYKMVUZNLKSW-CQSZACIVSA-N 442.444 4.107 5 20 IIBD O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 813030495 LSXCASAQTHZMKS-UHFFFAOYSA-N 440.239 4.493 5 20 IIBD CCCCOc1ccc(/C=C2/N=C(c3ccc(OC)c([N+](=O)[O-])c3)OC2=O)cc1OC 912754758 VBYJAISARAMBDB-LFIBNONCSA-N 426.425 4.135 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N(Cc1cc(Br)ccc1F)C1CC1 915116069 UGCRXAOFCUVJRH-UHFFFAOYSA-N 447.264 4.037 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Oc1cccc(NC(=O)C2CC2)c1 916422409 KVQVEMNQEYCGQW-UHFFFAOYSA-N 437.374 4.370 5 20 IIBD Cc1ccc(N2C(=O)/C(=C/c3ccc(Br)c([N+](=O)[O-])c3)NC2=S)cc1C 917608118 XGQJSRKJTHVKIU-NVNXTCNLSA-N 432.299 4.236 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCc1c(C)cc(C)cc1C 920806499 YUYMVNFMTYCXSX-HXUWFJFHSA-N 430.526 4.115 5 20 IIBD O=C(CCNCCSc1ncc(C(F)(F)F)cc1Cl)Nc1ccccc1[N+](=O)[O-] 1262557531 DYZUKHVLNIIMCR-UHFFFAOYSA-N 448.854 4.373 5 20 IIBD COc1cc(CCNC(=O)CCOc2cc(Cl)ccc2Cl)c([N+](=O)[O-])cc1OC 1317923574 ACGZRBAYXWATDK-UHFFFAOYSA-N 443.283 4.047 5 20 IIBD Cc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cs1 1318000117 IJNFGPAAVIZXIE-UHFFFAOYSA-N 429.523 4.395 5 20 IIBD CN1C(=O)CC[C@@H](C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)[C@H]1c1ccc(C(F)(F)F)cc1 1318739165 FFLOLTVYUUCILD-UYAOXDASSA-N 447.413 4.066 5 20 IIBD O=C1[C@@H](NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CCCN1CC(F)(F)F 1319341930 SJHKIXRFHWBECM-AWEZNQCLSA-N 431.798 4.151 5 20 IIBD CCOc1cc(C(=O)N2CC(Cc3ccccc3C(F)(F)F)C2)c([N+](=O)[O-])cc1OC 1322446150 DXTBRDCVRWUMMT-UHFFFAOYSA-N 438.402 4.336 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1)c1ccc2ncoc2c1 1785750467 JIEOLXDSXPTDSM-UHFFFAOYSA-N 446.419 4.391 5 20 IIBD Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccc([N+](=O)[O-])o4)CCC3)cc2)n1 1787321886 WFRGOSKCGLHFAF-ZRDIBKRKSA-N 446.463 4.352 5 20 IIBD C[C@@H]1C[C@@]1(C)C(=O)NC1(c2ccc(NC(=O)Cc3cc(F)ccc3[N+](=O)[O-])cc2)CCC1 1792310277 YBSGEXQSYUHWAJ-IQMFZBJNSA-N 439.487 4.457 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCCCC1(F)F 1804339070 ZREUIHADIUSCPT-LFMOKJQNSA-N 447.482 4.072 5 20 IIBD O=C(CCC1CCC1)N1CCCC2(CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC2)C1 1805795834 AXXZQAQLRAVDEN-UHFFFAOYSA-N 431.508 4.159 5 20 IIBD CC(C)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CSc2ccccc2[N+](=O)[O-])n[nH]1 1822312245 HCTKISXQVFSUNY-MRXNPFEDSA-N 445.545 4.148 5 20 IIBD O=C(COC(=O)COc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)c(Cl)cc1Cl 9607958 CDNVILGZAYQTJX-UHFFFAOYSA-N 433.631 4.116 5 20 IIBD Cc1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(Br)c1 10749787 XONPVKRINCTYBM-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD NC(=O)c1ccc(SCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c([N+](=O)[O-])c1 14698614 PPHVEPVNPOMQPG-UHFFFAOYSA-N 448.913 4.201 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 16197088 NWBGUVPCNGUUKE-SNVBAGLBSA-N 430.398 4.193 5 20 IIBD Cc1cc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)n2c2ccccc12 20790017 YFKQHJKCACMKEF-UHFFFAOYSA-N 427.873 4.483 5 20 IIBD CCc1cccc(CC)c1NC(=O)[C@@H](C)OC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 22243599 KJVJUOXYFDAHNT-CQSZACIVSA-N 425.485 4.478 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nnc(-c2cc(C)cc(C)c2)o1 26409129 UBJDROWUORUQKT-UHFFFAOYSA-N 428.470 4.391 5 20 IIBD COc1ccc(-c2nc(C)c(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)s2)cc1OC 29889708 DJNYQFNPYSEDLC-UHFFFAOYSA-N 425.466 4.247 5 20 IIBD CN(C)C(=O)c1ccc(Cl)c(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 31733067 OHPSNBZWEAIZND-UHFFFAOYSA-N 433.895 4.149 5 20 IIBD C[C@@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C(c1ccccc1)c1ccccc1 46690757 BINNAAHVMPUIIU-QGZVFWFLSA-N 427.464 4.126 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(CCc2ccccc2)Cc2cccnc2)c1C 60510674 VUFGTEJQRBWHIF-UHFFFAOYSA-N 425.510 4.040 5 20 IIBD O=C(c1ccc(OCc2ccccc2)cc1)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 61233889 LKRDWLQMLIWPAI-UHFFFAOYSA-N 431.492 4.132 5 20 IIBD CC(C)N(CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)Cc1ccc([N+](=O)[O-])cc1 64350296 OYUDORWVKZKWOB-FQEVSTJZSA-N 436.468 4.369 5 20 IIBD COCCOc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1Cl 64421297 GXOVTQHITROWDM-NSHDSACASA-N 429.256 4.333 5 20 IIBD C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)c1cccc([N+](=O)[O-])c1 108282266 INJJXIFTOKEZJY-KZULUSFZSA-N 436.295 4.384 5 20 IIBD CCN(C(=O)c1cc([N+](=O)[O-])ccc1I)c1ccc(F)c(F)c1 108620060 LGAXWMPNUGCRQY-UHFFFAOYSA-N 432.164 4.144 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccccc2OC[C@@H]2CCCCO2)cc1[N+](=O)[O-] 108915019 BFGFJIKOPYGVSA-KRWDZBQOSA-N 446.525 4.423 5 20 IIBD COc1ccc([C@H]2CCN(C(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)cc1 109931216 XIPRBHFZVTVNNA-HNNXBMFYSA-N 437.418 4.440 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCCN(Cc2ccccc2)CC1 426270427 WXPJCGSOVMTFPE-UHFFFAOYSA-N 436.434 4.031 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)CCN1Cc1ccccc1 430633962 CTPSZRDWGJTMKL-ZBFHGGJFSA-N 432.318 4.140 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2ccc3nc(C4CC4)oc3c2)c1 432177879 RBTWSEHIFLJZKC-UHFFFAOYSA-N 438.259 4.177 5 20 IIBD Cc1cccc(CN2CCN(C(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)CC2)c1 435826698 MXPMIAHSXRMNEL-UHFFFAOYSA-N 429.495 4.087 5 20 IIBD Cc1cccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1I 437111399 PVULKGGIVGTDJQ-UHFFFAOYSA-N 436.249 4.313 5 20 IIBD COc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1N1CCCCC1=O 437153356 WDFVQMFHBNXKAG-UHFFFAOYSA-N 437.374 4.391 5 20 IIBD O=C(NCc1ccncc1OCC(F)F)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 441151171 FKWAGUAJTBBFOA-UHFFFAOYSA-N 443.406 4.143 5 20 IIBD CCO[C@@H]1C[C@@H](NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])[C@]12CCCO2 441280832 DFBGASWMISOFMA-KCZVDYSFSA-N 428.510 4.202 5 20 IIBD O=[N+]([O-])c1ccc(CN(c2ccccc2)S(=O)(=O)c2cnc(-c3ccccc3)nc2)cc1 444081891 VEBSIGCKCCPHIS-UHFFFAOYSA-N 446.488 4.447 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1c2ccccc2CC12CCOCC2 461030855 RUNBEJWPXRCPPV-HHHXNRCGSA-N 438.527 4.365 5 20 IIBD O=C(c1ccc(C(=O)N2CC3(CCC3)[C@H]2C2CC2)c([N+](=O)[O-])c1)N1CC2(CCC2)[C@H]1C1CC1 461195034 MFCXZJGSGYXCJR-FGZHOGPDSA-N 449.551 4.404 5 20 IIBD COc1cc(C(=O)Nc2cccc(Oc3cccnn3)c2)c([N+](=O)[O-])cc1OC(F)F 461584261 GZXCLQMQNVZAIY-UHFFFAOYSA-N 432.339 4.039 5 20 IIBD CCOc1cc(NC(=O)N2CCN([C@H](C)c3ccsc3)CC2)c([N+](=O)[O-])cc1OCC 462255978 SJZZLEZCUMOGIP-OAHLLOKOSA-N 448.545 4.364 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(C2CCC2)c1 462372961 LXTUPHJALWRMNY-HXUWFJFHSA-N 427.526 4.353 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@@H](c1ccccc1)N1CCCC1 462485760 ZADVUGRHPPVCBE-KRWDZBQOSA-N 444.340 4.017 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 462935365 ISAKOXDZMMNOTM-QFIPXVFZSA-N 439.556 4.201 5 20 IIBD CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 463061718 RPCXGVGYBXHOIY-BTYIYWSLSA-N 429.904 4.054 5 20 IIBD COc1cc(C(=O)NCc2ccc(OCc3ccccc3F)cc2)c([N+](=O)[O-])cc1OC 464449219 SONKKSHOYSMOGJ-UHFFFAOYSA-N 440.427 4.260 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 466512902 GSKMJZQZSOFMEZ-JOCHJYFZSA-N 447.447 4.188 5 20 IIBD COCCOc1c(Cl)cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1Cl 466969859 UNECIUZHYHUJSC-UHFFFAOYSA-N 441.314 4.098 5 20 IIBD C[C@H]1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c2cc(Cl)ccc2S1 466992292 WDFGGODYFBFXTJ-LBPRGKRZSA-N 434.901 4.479 5 20 IIBD CN(Cc1ccccc1)CC1CCN(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 467211387 IOULIMKOCJSEKQ-UHFFFAOYSA-N 430.936 4.302 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C[C@@]2(CCO[C@@H]2C)O1 468537571 RFEKFNSPICDRMZ-XCGNWRKASA-N 428.510 4.155 5 20 IIBD CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1cccc([N+](=O)[O-])c1N 468736531 GNKVBWAMIBQZRQ-UHFFFAOYSA-N 441.509 4.488 5 20 IIBD Nc1c(C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)cc(F)cc1[N+](=O)[O-] 471664508 VTRSZNFJXQSMTE-UHFFFAOYSA-N 444.854 4.207 5 20 IIBD Cc1cc(C)n(-c2ccccc2CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])n1 472213505 ZFQOYBQGWBUBME-UHFFFAOYSA-N 428.876 4.136 5 20 IIBD Cc1ccc(-c2noc([C@H](C)NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)cc1F 472531111 QEIUBPFXTXQRJT-STQMWFEESA-N 430.461 4.450 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccc(N2C(=O)CCCC2=O)c1 473649833 PYOGUHQUIWNAMP-UHFFFAOYSA-N 433.873 4.023 5 20 IIBD O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 475853219 PXMXKQNOTMLWQQ-QGZVFWFLSA-N 448.248 4.191 5 20 IIBD CCOc1cc(C(=O)NCc2ccc(OC)cc2OC2CCCC2)c([N+](=O)[O-])cc1OC 477538873 QUTXJSZZYCRLSJ-UHFFFAOYSA-N 444.484 4.262 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)Nc2cncc(Cl)c2Cl)cc1[N+](=O)[O-] 480102811 IUKPVWNQYIVWSB-UHFFFAOYSA-N 441.090 4.168 5 20 IIBD Cc1nn(CCC(=O)N[C@](C)(c2ccc(Br)cc2)C(C)C)c(C)c1[N+](=O)[O-] 481303385 GGEHYZUXLAFKLB-IBGZPJMESA-N 437.338 4.248 5 20 IIBD CCn1c(S[C@H](C)C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)nnc1-c1ccc([N+](=O)[O-])cc1 481348402 PWSRTPMMMSNEBP-AMILPRIGSA-N 443.573 4.295 5 20 IIBD C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C[C@@H](C)S1=O 481781778 OYRJBMMQMWEQAU-CHWSQXEVSA-N 438.958 4.381 5 20 IIBD C[C@H](O)[C@](C)(CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccccc1 482174271 YLDLVAGOALRZIK-NYHFZMIOSA-N 425.510 4.078 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(Br)ccc1F 482488344 LPHWVDPIPYUANK-UHFFFAOYSA-N 443.294 4.165 5 20 IIBD Cc1ccc(-c2cc(C(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)c3c(C)noc3n2)cc1 487069937 TUNOSHDNAWTVDU-UHFFFAOYSA-N 446.467 4.089 5 20 IIBD O=C(N[C@H]1CCN(Cc2ccccc2)C1=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 487438558 IEUXLUIAPOTKMB-QFIPXVFZSA-N 447.516 4.277 5 20 IIBD COc1cccc(C2(NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)CCOCC2)c1F 487789852 YNXRZFOYWLOBMB-AWEZNQCLSA-N 434.489 4.045 5 20 IIBD COC(=O)[C@@H](C)Cc1ccc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 488730493 ZZHCEOBFHKLMRZ-LBPRGKRZSA-N 439.390 4.287 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(CN2CCSCC2)c1 489380502 PXJYUCZWOXWPIX-CQSZACIVSA-N 435.933 4.203 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 490006483 AUKMXBQXEYJPDS-PKOBYXMFSA-N 443.569 4.116 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N(Cc1ccc(Cl)cc1)c1ccccc1Cl 499461603 ZMZKMNRGWCDRMK-UHFFFAOYSA-N 432.263 4.297 5 20 IIBD CCOc1cc(C(=O)N[C@H](c2cccc(F)c2)c2ccccn2)c([N+](=O)[O-])cc1OC 500119535 GCIJKOOEUOMCFD-OAQYLSRUSA-N 425.416 4.056 5 20 IIBD CC(C)C[C@H]1CCCN1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 500171589 KYQCTDCNPHRAQT-GOSISDBHSA-N 431.514 4.046 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1CSc1ccc(S(=O)(=O)N2CCCCC2)cn1 501150808 OGVAXMUFNWMMIQ-UHFFFAOYSA-N 427.935 4.110 5 20 IIBD Cc1noc(C)c1[C@@H](C)CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 502096090 UQPXDHFFYDGJBQ-VIFPVBQESA-N 438.271 4.226 5 20 IIBD CCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)CC(=O)Nc1ccccc1 502919629 OMATWKGAKCIDQI-OAHLLOKOSA-N 432.908 4.316 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](c2ccc(OC)c(F)c2)C1 506289598 LSQZPRYIOYIOIW-SHTZXODSSA-N 434.489 4.157 5 20 IIBD CN(C[C@@H]1OCCc2ccccc21)C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 506302288 SZUDDSLDDUVPNZ-KRWDZBQOSA-N 440.443 4.478 5 20 IIBD Cc1cc(OCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c(Cl)cc1[N+](=O)[O-] 506559047 BXBOGUMDUHVYQR-MRXNPFEDSA-N 432.860 4.070 5 20 IIBD C[C@@H]1C[C@H](c2ccccc2)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 511031635 RGKFIZKGHZXZSO-MLGOLLRUSA-N 425.304 4.129 5 20 IIBD COc1cc(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)c([N+](=O)[O-])cc1OC 511077849 CGLDMVLFDBYUIO-UHFFFAOYSA-N 441.484 4.045 5 20 IIBD O=C(Nc1ccc2oc(C3CC3)nc2c1)c1ccc([N+](=O)[O-])cc1I 511192486 YFIKRBXXCQTDPL-UHFFFAOYSA-N 449.204 4.470 5 20 IIBD O=C(CN[C@H](c1cccc(OC(F)(F)F)c1)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 511621461 DRIKZINXRNDGSB-FQEVSTJZSA-N 435.402 4.123 5 20 IIBD COc1cc(C(=O)Nc2cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)ccc2C)ccc1[N+](=O)[O-] 513752424 SKVKSNYTOLMJSS-HUUCEWRRSA-N 425.485 4.282 5 20 IIBD CC(C)CCn1c(-c2csc([N+](=O)[O-])c2)nc2c1c(O)nc(=O)n2Cc1ccccc1 513871153 MBMCHBSAUNERMJ-UHFFFAOYSA-N 439.497 4.030 5 20 IIBD CCOC(=O)CN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H](C)c1ccccc1 513921533 DHTXTTBTJORWOY-HNNXBMFYSA-N 439.493 4.485 5 20 IIBD COc1cc(CCNC(=O)N(C)CCc2cccc3ccccc23)c([N+](=O)[O-])cc1OC 514027505 SPIHZRQTGCALQH-UHFFFAOYSA-N 437.496 4.192 5 20 IIBD O=C(NCc1ccnc(OCc2ccccc2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 514164546 JYAPXCYSDWWMMX-UHFFFAOYSA-N 432.480 4.099 5 20 IIBD Cc1nc(-c2ccc(CCNC(=O)NCCOc3ccc([N+](=O)[O-])cc3)s2)cs1 517590315 RHJFBSZNOORNHT-UHFFFAOYSA-N 432.527 4.009 5 20 IIBD CCC(CC)(CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)N[C@H](C)c1ccccc1 518456242 ZSCDCDYIPWFMKK-MRXNPFEDSA-N 427.501 4.005 5 20 IIBD COc1ccc([C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c2ccc(F)cc2)cc1 518701159 AYUNQBWKYLKQDX-HSZRJFAPSA-N 439.443 4.069 5 20 IIBD COc1ccc(N(C)C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC 520018467 KSLPDRRIDBQANX-UHFFFAOYSA-N 427.379 4.096 5 20 IIBD O=C(CCSc1ccccc1Br)NCCOc1ccc([N+](=O)[O-])cc1 520256210 JPDKRRXDWVQGML-UHFFFAOYSA-N 425.304 4.035 5 20 IIBD COc1cc(C(=O)N(C)C[C@@H]2CCCN(C)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 522383704 LDEAJUHJJNVAAC-OAHLLOKOSA-N 447.919 4.463 5 20 IIBD CCCNC(=O)c1ccc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1Cl 522639365 HSXALZRSOIURCA-UHFFFAOYSA-N 440.283 4.449 5 20 IIBD Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1cc2ccccc2c2cccnc12 522964413 QLZOEFCCSUWNSL-UHFFFAOYSA-N 425.488 4.421 5 20 IIBD O=C(Nc1cccc(C[S@](=O)C2CCOCC2)c1)c1cc2cc([N+](=O)[O-])ccc2s1 523754654 PKVZUCOVOHENDD-PMERELPUSA-N 444.534 4.490 5 20 IIBD COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NC(=O)CCn2cc([N+](=O)[O-])nc2C)c1 525009489 DPAOYCRXRIQHAZ-JOCHJYFZSA-N 436.512 4.215 5 20 IIBD Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1 531083387 CWZCHFXZJUZKEL-KRWDZBQOSA-N 433.464 4.298 5 20 IIBD Cc1cccnc1[C@H](NC(=O)c1cc(I)cc([N+](=O)[O-])c1)C(C)C 535022161 GEACAJXNAADCFW-OAHLLOKOSA-N 439.253 4.030 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CSc3nnc([C@@H]4COc5ccccc5O4)o3)co2)cc1 536299626 QCCFHCSOPJBFPU-KRWDZBQOSA-N 438.421 4.438 5 20 IIBD Cc1ccc([C@@H](C)NCC(=O)Nc2c(F)cc(F)cc2Br)cc1[N+](=O)[O-] 537176651 RPYFNDQWPMYBNN-SNVBAGLBSA-N 428.233 4.233 5 20 IIBD O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 537543713 HFDXQAXWXVGXOV-KRWDZBQOSA-N 438.532 4.355 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN[C@@H](COc1ccccc1)c1ccccc1 538218295 UCGSAIMEYPJJGS-NRFANRHFSA-N 433.464 4.303 5 20 IIBD O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)c1 539638554 LACGJEUQMMVLLR-MSOLQXFVSA-N 428.432 4.369 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1ccc(OC2CCCC2)c(OC)c1 540354914 VLYZQGKXYCCRDE-OAHLLOKOSA-N 443.500 4.223 5 20 IIBD O=C(c1cnc(OCC2CC2)c(Cl)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 542189140 GFLVTZYSNPWOAW-UHFFFAOYSA-N 431.876 4.116 5 20 IIBD CSc1ccccc1NC(=O)CN(C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 542194852 DEDBPQMOMYGNKF-UHFFFAOYSA-N 439.946 4.159 5 20 IIBD Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 543227845 ZTTNZGWQCGKFQF-UHFFFAOYSA-N 430.424 4.269 5 20 IIBD COc1cc(-c2nc(Cc3c[nH]c4cccc(Br)c34)no2)ccc1[N+](=O)[O-] 545070967 MYXSEIAVLSUQMH-UHFFFAOYSA-N 429.230 4.488 5 20 IIBD CN(C)C(=O)Nc1ccc(Cl)c(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)c1 545676312 RMWYDHZHKOAQFM-UHFFFAOYSA-N 430.852 4.046 5 20 IIBD O=C(Nc1ccccc1)N1CCC[C@@H](c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)C1 545785681 NDKPRJYYVROGGF-OAHLLOKOSA-N 446.467 4.461 5 20 IIBD COc1cc(Cc2noc([C@H](C)Oc3ccccc3Br)n2)ccc1[N+](=O)[O-] 545788090 SQFLSENHKDFLFA-NSHDSACASA-N 434.246 4.480 5 20 IIBD COc1ccc(CSCc2nc(-c3cccnc3N3CCCC3)no2)cc1[N+](=O)[O-] 546379766 WUAVGUOKGQPOST-UHFFFAOYSA-N 427.486 4.082 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)c1noc(CN(C)c2ccccc2[N+](=O)[O-])n1 547222762 AUYBBDHCTDNGQF-KRWDZBQOSA-N 433.262 4.113 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cccc(C(=O)N2CCCC2)c1C 550564960 OMFPQHCQJKTMBU-UHFFFAOYSA-N 446.301 4.462 5 20 IIBD CC(=O)NCC[C@@H]1CCCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 554099145 OFFKMJMHTCOTLP-KRWDZBQOSA-N 427.526 4.124 5 20 IIBD Cc1cccc(Oc2ccccc2C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1 554679948 GDKKZEJGZIELGF-UHFFFAOYSA-N 445.475 4.294 5 20 IIBD CC(C)(NC(=O)c1cccc(NC(=O)c2ccc3nc[nH]c3c2)c1)c1ccccc1[N+](=O)[O-] 557980025 YPDNUSROOGWWBH-UHFFFAOYSA-N 443.463 4.389 5 20 IIBD CCc1nc2cc(CN[C@@H](c3ccc([N+](=O)[O-])cc3)c3nccn3C)ccc2n1C1CC1 565847784 LJXAUFLSVSASGG-QHCPKHFHSA-N 430.512 4.455 5 20 IIBD COc1cc(CNCC2(SC)CCN(C)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 569770504 BSVSALYCJUAPMN-UHFFFAOYSA-N 445.585 4.099 5 20 IIBD COC(=O)c1ccc(Cl)c(NC(=O)c2sc(Br)cc2[N+](=O)[O-])c1C 570455528 XARJBHAAUAPDTL-UHFFFAOYSA-N 433.667 4.420 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC(Nc2cccc(Br)c2)CC1 573521609 VNBRKLQZWHRRBC-UHFFFAOYSA-N 433.306 4.143 5 20 IIBD C[C@H]1CN(Cc2cc(I)cc([N+](=O)[O-])c2)C[C@@H](c2ccsc2)O1 577920365 NUUGOCHVROLUSW-ZBEGNZNMSA-N 444.294 4.223 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 580666007 XBTCVYDOTXFDMY-MBSDFSHPSA-N 425.554 4.200 5 20 IIBD O=C(CCc1nc(O)c2ccccc2n1)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 589251317 HOLIBFUOXJNOMV-UHFFFAOYSA-N 442.431 4.046 5 20 IIBD O=C(NC1CC1)c1ccc(NC[C@H](c2ccccc2Cl)N2CCCC2)c([N+](=O)[O-])c1 589795566 KNCRMTSVNZFJCN-OAQYLSRUSA-N 428.920 4.389 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@@H](Oc2cncc(Br)c2)C1 590390186 NGYCCKCPXSSZEA-CQSZACIVSA-N 448.298 4.261 5 20 IIBD COC(=O)c1ccc(OCC(=O)N[C@H](c2ccccc2)C2CCCCC2)c([N+](=O)[O-])c1 603642661 GBANYQQQYRGLNS-JOCHJYFZSA-N 426.469 4.198 5 20 IIBD CC(C)Oc1cccc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)c1 603859904 JAJKRKQMUHKAMD-MRXNPFEDSA-N 433.530 4.340 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)CCOc1ccccc1[N+](=O)[O-] 604570260 JQEBQXQXDXXYKZ-UHFFFAOYSA-N 427.432 4.249 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)N1c2ccccc2CC[C@@H]1C(=O)Nc1ccc(F)cc1 608872853 RUTSEZUMXRCFRW-OAQYLSRUSA-N 449.438 4.343 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N(CCc1ccccn1)Cc1ccc(F)cc1 608881127 PGEBDWNHPSZMLM-UHFFFAOYSA-N 445.454 4.200 5 20 IIBD Cc1ccc(NCCCNC(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)c([N+](=O)[O-])c1 610053007 VODVSZCOCVVDHE-UHFFFAOYSA-N 446.507 4.412 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@@H](c2ccccc2Br)C1 725728376 IREFITLMJYHIQS-MRXNPFEDSA-N 425.666 4.224 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Br)Nc1ccc(C(F)(F)F)cc1 725985755 XOHCSYLEFOKVOY-UHFFFAOYSA-N 447.163 4.172 5 20 IIBD CCN(C(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccc(Br)cn1 726505799 YZAFGTBCQNDHDV-UHFFFAOYSA-N 429.068 4.182 5 20 IIBD O=C(CCOc1cccc([N+](=O)[O-])c1)OCc1nnc(-c2c(Cl)cccc2Cl)o1 726637479 KOAAJHZAPLPOEN-UHFFFAOYSA-N 438.223 4.464 5 20 IIBD C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(I)c([N+](=O)[O-])c1 727748271 LHFAJYYYXRASLP-JTQLQIEISA-N 428.201 4.172 5 20 IIBD COc1ccc(-c2ccc(CNC[C@](O)(c3ccccc3)C(F)(F)F)o2)c([N+](=O)[O-])c1 727837135 LECUINOBTANTSJ-FQEVSTJZSA-N 436.386 4.403 5 20 IIBD COC(=O)Nc1cccc(C(=O)OCCOc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 728769805 LYRYRICTIBKKDS-UHFFFAOYSA-N 428.319 4.028 5 20 IIBD CC1CCN(c2ccc(C(=O)O[C@@H](C)C(=O)Nc3cc(F)ccc3F)cc2[N+](=O)[O-])CC1 728947971 IBGRXJDTFREFAW-AWEZNQCLSA-N 447.438 4.293 5 20 IIBD O=C(OCc1c(F)cccc1[N+](=O)[O-])c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 728994306 SXQOIXBTRMNPLY-NRFANRHFSA-N 436.395 4.033 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)Cn1ccc(=O)c2cccc(Br)c21 729846766 AZFYLRGEGNMPOJ-UHFFFAOYSA-N 436.693 4.415 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 731633180 YSPGVYMQBXMOAS-GFCCVEGCSA-N 443.456 4.235 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 732332271 TUQMQIPIBLDDDI-LLVKDONJSA-N 447.419 4.489 5 20 IIBD O=C(Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1)[C@@H]1COc2ccccc21 733214217 JVYHAENSNZWBPN-HXUWFJFHSA-N 429.384 4.450 5 20 IIBD CCn1c(SCC(=O)OCc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1cccs1 734780984 NJKCNDWNERBRDY-UHFFFAOYSA-N 438.918 4.424 5 20 IIBD O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cnn2c(-c3ccccc3)ccnc12 735601170 NEDPWKVWWKLBJJ-UHFFFAOYSA-N 441.403 4.317 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)ccc1OC1CCOCC1 737729190 UAFJTBCKSAWTIM-UHFFFAOYSA-N 435.274 4.476 5 20 IIBD CCOc1cc(N2CCC(OC(=O)CCc3cccc(OC)c3)CC2)ccc1[N+](=O)[O-] 744200945 JQJKZNAWTRFWIX-UHFFFAOYSA-N 428.485 4.147 5 20 IIBD COc1ccc(COC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)cc1SC(F)(F)F 744921156 PQKBTFYICKHHNN-UHFFFAOYSA-N 433.408 4.162 5 20 IIBD C[C@H](OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 744924075 DFRWIJYJUDANKP-QMMMGPOBSA-N 449.678 4.057 5 20 IIBD CCCC[C@H](OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1cc(C)on1 745569595 XYAWNFVTEYSQCH-AWEZNQCLSA-N 429.351 4.264 5 20 IIBD C[C@@H](OC(=O)CC1(NC(=O)OC(C)(C)C)CCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 747058379 JPZCLPSEZVZGTK-CYBMUJFWSA-N 446.460 4.087 5 20 IIBD CCCCN1C(=O)CC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H]1c1ccccc1OC 750549173 PMPYTDIADNRKQR-HTAPYJJXSA-N 443.475 4.461 5 20 IIBD CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 750826951 ZLJYZWWCBIXKNB-UHFFFAOYSA-N 440.681 4.401 5 20 IIBD Cc1noc([C@@H](OC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c2ccccc2)n1 750870443 OWPSMBOZVKGTIF-NRFANRHFSA-N 447.451 4.094 5 20 IIBD C[C@H](OC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 752202385 USGAQOSXBXZAOE-NSHDSACASA-N 449.341 4.453 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N(C)C[C@H]2CCCO[C@H]2c2ccccc2)cc1[N+](=O)[O-] 752246129 DBDZPKCFNOBUSD-UZLBHIALSA-N 438.933 4.345 5 20 IIBD CCNc1ccc(C(=O)Nc2cnc(Br)c(Br)c2)cc1[N+](=O)[O-] 757823615 GURGGKJXWYKETA-UHFFFAOYSA-N 444.083 4.199 5 20 IIBD COc1ccc2c(c1)CN(C(=O)Cn1ncc3ccc([N+](=O)[O-])cc31)[C@@H](c1ccccc1)C2 759470904 YMHWRRZIFLJUPX-HSZRJFAPSA-N 442.475 4.279 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)Cc1ccccc1Cl 762476930 KLKLSTAIXNNAPM-CYBMUJFWSA-N 436.917 4.264 5 20 IIBD CCOc1cc(NC(=O)NC[C@H](O)c2ccc(Cl)c(F)c2)c([N+](=O)[O-])cc1OCC 762936393 WAQODQBRRNMLSC-INIZCTEOSA-N 441.843 4.040 5 20 IIBD Cc1cccc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)c1C(=O)NCCc1ccccc1 763422982 IRJLJJORNZEJFS-UHFFFAOYSA-N 439.418 4.406 5 20 IIBD Cc1cc(C(=O)COC(=O)COc2ccc([N+](=O)[O-])cc2)c(C)n1Cc1ccc(F)cc1 763463809 MBPPJMYVQCBWAS-UHFFFAOYSA-N 440.427 4.005 5 20 IIBD O=C(OCc1nc(O)c2ccc(C(F)(F)F)cc2n1)c1ccc([N+](=O)[O-])c(Cl)c1 763715062 DTJDWPPBSBPYBC-UHFFFAOYSA-N 427.722 4.273 5 20 IIBD CC(=O)Nc1ccc(C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1F 764750036 VCPPAYVOBBPRIT-UHFFFAOYSA-N 437.383 4.164 5 20 IIBD C[C@H](OC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)c1nc2cc(C(F)(F)F)ccc2n1C 764930267 XSRRXKZFFWQFRQ-VIFPVBQESA-N 433.346 4.295 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1Cc2ccc(Br)cc2C1 765203010 IQMZZBNUCFXQQU-UHFFFAOYSA-N 426.064 4.276 5 20 IIBD C[C@H](NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 765596169 RXAJEEICWFJMAC-ROUUACIJSA-N 432.565 4.189 5 20 IIBD CCc1nc2ccccc2n1C1CCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 771627909 QKOUUIMYBDVSMD-UHFFFAOYSA-N 431.500 4.060 5 20 IIBD CC1(OCC(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCC1 773212894 YGQZVVIGCOLOCY-LJQANCHMSA-N 432.860 4.430 5 20 IIBD COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)c1 773466815 HCBQEIORDMPNLW-HIFRSBDPSA-N 436.258 4.221 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1 777932695 MGJDMZFVUSSJAK-UHFFFAOYSA-N 438.824 4.079 5 20 IIBD O=C(c1c(F)cc(F)cc1F)C1CCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 777954998 HNTDORFANWANOQ-UHFFFAOYSA-N 444.413 4.428 5 20 IIBD COC(=O)Cc1sc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 777957168 RTXSNZXRXXGSOZ-UHFFFAOYSA-N 447.419 4.164 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)N(c2ccc(F)cc2)C2CCCC2)cc1[N+](=O)[O-] 777993606 PVRYMHIYWYMHIB-UHFFFAOYSA-N 437.449 4.050 5 20 IIBD COc1cccc(-n2nc(C)c([C@@H]3COCCN3c3ccc([N+](=O)[O-])cc3F)c2C)c1 779608688 KFCJPSIRZCENMA-NRFANRHFSA-N 426.448 4.123 5 20 IIBD Cc1ccccc1-c1noc(COc2cc([N+](=O)[O-])ccc2I)n1 780346987 WJCBKPBIXLWXKT-UHFFFAOYSA-N 437.193 4.137 5 20 IIBD Cc1cc(COC(=O)CCC[S@](=O)c2ccc(Br)cc2)ccc1[N+](=O)[O-] 781172059 SSNBARYABYAKAS-SANMLTNESA-N 440.315 4.297 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 782726681 JSXWRJDEUZPWSE-QGZVFWFLSA-N 441.242 4.389 5 20 IIBD Cc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 786785887 GNHUSZRYJIDGLU-ZDUSSCGKSA-N 443.843 4.054 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N[C@H](C)CC2CCCCC2)cc1[N+](=O)[O-] 787606198 NQCYEQMUSGBYJF-GFCCVEGCSA-N 426.311 4.079 5 20 IIBD CN(C(=O)COC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1nccs1 787980970 VAWVNGCNSFYZSY-UHFFFAOYSA-N 447.856 4.317 5 20 IIBD COC(=O)COc1ccc(/C=C(/c2ccncc2)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 788732621 OHWYBHUNIRFKTN-XDHOZWIPSA-N 435.392 4.039 5 20 IIBD O=C(c1cc(-c2ccc(F)cc2)on1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791166079 DCOJMQLINCERAB-UHFFFAOYSA-N 446.232 4.350 5 20 IIBD CCCc1c(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)[nH]c(C)c1C(C)=O 791244599 BFINWZONCCJWPR-UHFFFAOYSA-N 448.317 4.347 5 20 IIBD O=C(C[C@@H]1CCCC[C@H]1O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 796136233 RCCKLKRPPGOYKO-NYSBEXSLSA-N 446.887 4.412 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 796389835 BAUIEXUYMQOSQT-JKSUJKDBSA-N 449.341 4.390 5 20 IIBD COC(=O)Nc1cccc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1C 798031646 KRWHWVCPKWDWLV-UHFFFAOYSA-N 426.351 4.422 5 20 IIBD CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])[C@@H](c2ccncc2)C1 800333925 NCKJTRGROZNRMD-QGZVFWFLSA-N 446.891 4.077 5 20 IIBD Cc1cccc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)c1[N+](=O)[O-] 800377838 ZZOKIAMSDISRMY-RBUKOAKNSA-N 425.485 4.036 5 20 IIBD CC(C)(C)OC(=O)N1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](c2ccncc2)C1 800541363 XXYJYAIGMAGXQR-LJQANCHMSA-N 432.908 4.437 5 20 IIBD O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1nn(-c2ccccc2C(F)(F)F)cc1O 801189275 MVFHVYLOLHAWCQ-UHFFFAOYSA-N 448.313 4.003 5 20 IIBD CC(C)(C)OC(=O)c1ccccc1C1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 801958901 DBMYCEDCZLNKTH-UHFFFAOYSA-N 443.475 4.291 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(=Cc2ccccc2F)CC1 802367732 LTEQCHAXXRKURE-UHFFFAOYSA-N 437.475 4.323 5 20 IIBD CC(C)(C)OC(=O)N1CCC(n2cc(Nc3ncnc4sc([N+](=O)[O-])cc34)cn2)CC1 804613288 QCKCTNVRXOKGLG-UHFFFAOYSA-N 445.505 4.112 5 20 IIBD COc1cc(C(=O)O[C@H](C)c2ccc(S[C@H]3CCCCNC3=O)cc2)ccc1[N+](=O)[O-] 809046090 KBILLZAUEJRHIN-VLIAUNLRSA-N 444.509 4.282 5 20 IIBD COc1ccc(Cl)cc1N1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 809917403 GVCUOQKGOKWKQH-LBPRGKRZSA-N 425.272 4.311 5 20 IIBD CC(=O)c1cccc(O[C@@H](C)C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 811215135 NWCSQYGJYPKKDF-AWEZNQCLSA-N 426.450 4.432 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811219331 NBSFSHCIKLYSIB-UHFFFAOYSA-N 431.451 4.462 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccccc1SCC(=O)N1CCCC1 811931345 DGDINYANICAMQX-UHFFFAOYSA-N 447.944 4.235 5 20 IIBD Cc1noc2nc(C(C)C)cc(C(=O)OCC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])c12 813364214 KDZJOZKZCLRBRL-UHFFFAOYSA-N 432.820 4.012 5 20 IIBD C[C@H](OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(Cl)ccc1F 856620140 BDOPXXBOGLHRTD-QWRGUYRKSA-N 426.853 4.438 5 20 IIBD COc1cc(CNc2ccc([C@H](O)C(F)(F)F)cc2)c([N+](=O)[O-])cc1OCC(F)F 864044339 XOUNTTSSYFRNLU-KRWDZBQOSA-N 436.333 4.455 5 20 IIBD CC(C)[C@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)N1C[C@H](C)C[C@@H](C)C1 876752958 DUFICKSVKNCJIO-XNJGSVPQSA-N 441.322 4.043 5 20 IIBD CC(C)(C)OC(=O)NC1(c2noc(-c3ccc([N+](=O)[O-])c(-n4ccnc4)c3)n2)CCCC1 904418441 MEROACJRGZDWRN-UHFFFAOYSA-N 440.460 4.125 5 20 IIBD Cc1cc(C)n(Cc2cccc(-c3noc(-c4ccc5c(c4[N+](=O)[O-])OCCCO5)n3)c2)n1 904521352 HMRKAAQXDLIALO-UHFFFAOYSA-N 447.451 4.335 5 20 IIBD C[C@H](OC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(=O)Nc1cccc2ccccc12 915512566 WNOQIDFRPLYXTH-HNNXBMFYSA-N 430.420 4.118 5 20 IIBD O=C(Nc1ccccc1O)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 917360388 VMXHHJLHGZZTQD-UHFFFAOYSA-N 447.856 4.007 5 20 IIBD COc1cccc(CCC(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)c1 918634111 QIEZKBLMZRXAGX-HXUWFJFHSA-N 440.496 4.164 5 20 IIBD CO[C@H]1CCC[C@@H](OC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)C1 920123671 FLPHWFVCAKHXNR-DLBZAZTESA-N 426.469 4.006 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 1116149411 LXBAYMJGUVKDCB-SNVBAGLBSA-N 425.666 4.320 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2cc(N3CCOC3=O)ccc2F)cc1[N+](=O)[O-] 1320120105 MZHVXMXDZYQGII-UHFFFAOYSA-N 438.209 4.014 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1c1cccc(Cl)c1 1325967161 BMFVEKLMPCHYCQ-IBGZPJMESA-N 427.892 4.495 5 20 IIBD O=C(NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 1347723490 GSTSBEWWABUSCE-VCSGRIEYSA-N 429.467 4.389 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@@H]3CCC(F)(F)C3)CCC2)cc1)c1ccc([N+](=O)[O-])o1 1785747338 NKLCLEHHJPUPHU-CYBMUJFWSA-N 433.411 4.371 5 20 IIBD O=C(COc1ccccc1)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1 1785748460 NLGJWXYTUGLHJP-UHFFFAOYSA-N 435.436 4.015 5 20 IIBD CO[C@H](C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1)c1ccccc1 1785748562 RCERGKPNRAERQN-NRFANRHFSA-N 449.463 4.323 5 20 IIBD COc1ccc(CC(=O)NC2(c3ccc(NC(=O)/C=C/C4CC4)cc3)CCC2)c([N+](=O)[O-])c1 1786160979 REFFBBSOXDJYAJ-LFYBBSHMSA-N 449.507 4.246 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc(O)cc3F)cc2)CCC1)c1ccc([N+](=O)[O-])o1 1790660996 BWDSJEUUSHIKQN-UHFFFAOYSA-N 439.399 4.094 5 20 IIBD Cc1c[nH]cc1C(=O)NC1(c2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2)CCC1 1790696370 ABXMJUFNTICRBX-UHFFFAOYSA-N 436.443 4.432 5 20 IIBD COC[C@H](C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])cc2)CCC1 1792315489 SKLFHELHEOOTFO-YJJOXIQCSA-N 437.496 4.025 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/C1CCCCC1)c1cccc(F)c1[N+](=O)[O-] 1800123139 CRAGRYGNAUTLKB-SQSUDPNUSA-N 429.492 4.122 5 20 IIBD Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2c(F)ccc([N+](=O)[O-])c2C)c(F)c1 1800699996 IROOTCNSFLPBCQ-MUJYYYPQSA-N 443.450 4.055 5 20 IIBD Cc1cc(CCCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CC2CCC2)c([N+](=O)[O-])cc1F 1804192994 JXKAHJFJFRUAFC-ACDBMABISA-N 445.535 4.193 5 20 IIBD CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3cccc([N+](=O)[O-])c3)[nH]n2)CCC1 1814399673 RCCWHDKHAMUGNZ-LJQANCHMSA-N 439.516 4.133 5 20 IIBD CC(C)(C)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2cc([N+](=O)[O-])ccc2F)[nH]n1 1816757249 XNJSTZDMQRIUJJ-GOSISDBHSA-N 445.495 4.128 5 20 IIBD CCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])[nH]n1 1821939190 GHGIGIGUERYTRV-INIZCTEOSA-N 431.468 4.199 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cc(F)c2)CC1 1830084925 XYIVPDGQOWDYJL-SFHVURJKSA-N 447.438 4.013 5 20 IIBD C[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1)c1ccccc1 1832889581 PGXWEEDDEWKRGI-XLIONFOSSA-N 439.512 4.225 5 20 IIBD O=C(NCc1ccc(NC(=O)c2ccco2)cc1)c1ccc(Br)c([N+](=O)[O-])c1 11145955 BZGHUMOOFWDGGT-UHFFFAOYSA-N 444.241 4.133 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)c([N+](=O)[O-])cc1OC 11418714 USPCALQYEXPOEH-UHFFFAOYSA-N 433.848 4.035 5 20 IIBD O=C(Nc1ccccc1C(=O)NCCCOCC1CC1)c1ccc([N+](=O)[O-])cc1Cl 20958067 SOVNOBWJMGKWIM-UHFFFAOYSA-N 431.876 4.047 5 20 IIBD COc1ccc(OCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)c([N+](=O)[O-])c1 24291175 MBYFEUMAVQZTQL-OAHLLOKOSA-N 427.438 4.015 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccccc1N1CCCCCC1 29847908 PFACDPVSIHBSIM-UHFFFAOYSA-N 438.484 4.302 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1)CCC2)c1ccccc1[N+](=O)[O-] 31716264 RHEXEERRDCTCHD-KKSFZXQISA-N 440.496 4.050 5 20 IIBD O=C(Cn1cnc([N+](=O)[O-])c1)Nc1cc(-c2ccc3c(c2)CCCC3)nn1-c1ccccc1 31804738 YAHVURJTGOBCNK-UHFFFAOYSA-N 442.479 4.162 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 64420958 HJWFIMIMILVSMH-ZDUSSCGKSA-N 431.876 4.327 5 20 IIBD Cc1cc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)ccc1Oc1cccnc1 72028806 WRAUECUSQIJXHL-UHFFFAOYSA-N 448.435 4.417 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@@H](c1ccco1)N1CCCCC1 105554208 DSUIXMGXBISAAK-QHCPKHFHSA-N 429.520 4.091 5 20 IIBD CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 105889088 AJKWHQJOZCDQJV-UHFFFAOYSA-N 441.253 4.176 5 20 IIBD CS(=O)(=O)c1cc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc([N+](=O)[O-])c1 109024254 UNWVBCDIMDAKEC-UHFFFAOYSA-N 437.886 4.028 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(OC3CCCC3)cc2)ccc1[N+](=O)[O-] 110321960 AFKSVFJJUCXCII-JOCHJYFZSA-N 437.496 4.468 5 20 IIBD COc1ccc(CN[C@H](C)C(=O)N2CCCC[C@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 237155563 GRQNKWHLOFYVSC-QZTJIDSGSA-N 441.528 4.062 5 20 IIBD O=C(Nc1ccc2c(c1)OCO2)C1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 301081606 KLMDCVISHGZSLO-UHFFFAOYSA-N 437.374 4.197 5 20 IIBD O=C(Nc1ccc(Cl)cn1)C1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 301369005 ROMBGWLJPLPNGF-UHFFFAOYSA-N 426.807 4.100 5 20 IIBD O=c1c(Br)cn(-c2nc(C3CC3)nc3sc4c(c23)CCCC4)cc1[N+](=O)[O-] 301692233 XCSKUQOSPYNMSW-UHFFFAOYSA-N 447.314 4.269 5 20 IIBD CCCN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@H]1C[C@H](OCC)C12CCCC2 303892950 SBWSQKHVIXGIDQ-SFTDATJTSA-N 426.517 4.371 5 20 IIBD Nc1c(C(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)cc(F)cc1[N+](=O)[O-] 410094994 MVXKDMLSAOCMGQ-UHFFFAOYSA-N 429.345 4.436 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(Oc2cccc(Br)c2)CC1 427378367 BUARZMPTHRAHJD-UHFFFAOYSA-N 435.274 4.050 5 20 IIBD COc1ccc([C@H]2NC(=O)N([C@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1Br 431950570 MBCGCJUKCSSIBJ-PIGZYNQJSA-N 448.273 4.028 5 20 IIBD Cc1ccnc(-c2noc(C3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)n2)n1 432681702 NEEINWPXLFFTEN-UHFFFAOYSA-N 434.378 4.146 5 20 IIBD CC(C)(CO)[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 438165790 KCLWDLIEYAYRKL-QFIPXVFZSA-N 428.532 4.073 5 20 IIBD CC(C)c1ccc(C(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] 439405130 CKZMZSIHOUWQST-UHFFFAOYSA-N 428.464 4.284 5 20 IIBD COc1ccc(NC(C)=O)cc1N(C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(C)C 441602721 WZPNXAXHAVSNIS-CYBMUJFWSA-N 449.891 4.424 5 20 IIBD COC(=O)CCCOc1ccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1 444010773 HLNNWSUWWSWGLZ-UHFFFAOYSA-N 448.450 4.405 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H](C)Oc3ccccc3Br)n2)c1 445580277 QJZAYXOOVBJPSR-LLVKDONJSA-N 434.246 4.480 5 20 IIBD COc1ccccc1-c1csc([C@H]2CCCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C2)n1 447685118 HZUNKVGXSPMQHZ-HNNXBMFYSA-N 438.509 4.210 5 20 IIBD Cc1nc(C)c([C@H](C)N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCCO2)s1 461123787 FQHHQQCPQIKROA-KSSFIOAISA-N 442.545 4.303 5 20 IIBD Cc1ccc(Cl)c(S(=O)(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1Cl 462592063 MWIZPURQTPQFSN-UHFFFAOYSA-N 445.324 4.442 5 20 IIBD O=C(NC[C@@H]1CCN(c2ccccc2F)C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 462636748 FWOLDUKKKFMSOX-HNNXBMFYSA-N 433.458 4.216 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@H]3CCO[C@@H](c4ccccc4)C3)cc2)c(C)c1[N+](=O)[O-] 462910665 DMFMVSSGTRAYEU-FCHUYYIVSA-N 434.496 4.107 5 20 IIBD COc1cc(CN2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c([N+](=O)[O-])cc1F 463487857 AZZMQWVODADVPI-UHFFFAOYSA-N 442.274 4.007 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(Nc2cnn(C(F)F)c2)c([N+](=O)[O-])c1 463567194 YUUAYGXYEWCYCB-UHFFFAOYSA-N 437.428 4.145 5 20 IIBD CC[C@H]1Oc2cc([C@@H](C)NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc2NC1=O 465356914 JDJDTRUXYAROSC-QLJPJBMISA-N 437.374 4.214 5 20 IIBD CC(C)(C)OC(=O)[C@@]12CCC[C@H]1CN(C(=O)c1csc(-c3ccc([N+](=O)[O-])cc3)n1)C2 466652287 VLPVRJFCHFQXLV-OYHNWAKOSA-N 443.525 4.302 5 20 IIBD Cc1ccc(-c2nnc3n2CCCCC3)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 466955910 RAAZOPMAAVPTPN-UHFFFAOYSA-N 447.542 4.059 5 20 IIBD NC(=O)NC[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 467122673 POWQDUHTXDVJLM-OAHLLOKOSA-N 448.932 4.062 5 20 IIBD CC(C)OC(=O)C[C@H]1CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 468141542 GNLUJPYQECJWMC-LJQANCHMSA-N 439.512 4.401 5 20 IIBD CCc1[nH]nc(C(=O)Nc2ccc(C)c(Oc3ncccc3Br)c2)c1[N+](=O)[O-] 468617730 IZHRYQDUAASYAA-UHFFFAOYSA-N 446.261 4.391 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1cccc(COCc2ccccc2)c1 468713080 GEMMUVSAHKIRHH-UHFFFAOYSA-N 426.494 4.327 5 20 IIBD Cc1cccnc1N(C)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 470676064 XIZPWHYDURHFBY-UHFFFAOYSA-N 427.464 4.356 5 20 IIBD COc1cc(C(=O)NCCOCC(F)F)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 472438761 IACAFNGRBJDQGN-UHFFFAOYSA-N 430.791 4.061 5 20 IIBD Cc1cc(C(=O)N[C@H](C)c2nc(-c3ccc(Br)cc3)no2)ccc1[N+](=O)[O-] 472601309 FAGQEDDBHPREPT-LLVKDONJSA-N 431.246 4.207 5 20 IIBD Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 472903009 JJNOYFHSIGSKFI-GOSISDBHSA-N 449.511 4.085 5 20 IIBD COc1c(C(=O)Nc2cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)ccc2C)cccc1[N+](=O)[O-] 474971604 NUFSERXEEYODSI-HUUCEWRRSA-N 425.485 4.282 5 20 IIBD Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)n2)n1 476549401 PGTUMDQELAKRRB-UHFFFAOYSA-N 425.876 4.251 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(CCN3CCCC[C@@H]3C)CC2)cc1OC 478330628 ABVBSJBXSVEWJU-KRWDZBQOSA-N 433.549 4.119 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3cc(Cl)ccc3OC)CC2)ccc1[N+](=O)[O-] 478917040 XQBWQQJKYCQKEC-UHFFFAOYSA-N 434.880 4.010 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ccc(C(F)(F)F)cc1 479372575 ITVNKCLKCQTTSR-OAHLLOKOSA-N 436.342 4.394 5 20 IIBD O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 484771152 ZWSBADYFONKBOL-UHFFFAOYSA-N 426.845 4.205 5 20 IIBD CSc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1[N+](=O)[O-] 485744598 PLHPYWLKRMFCST-UHFFFAOYSA-N 449.554 4.134 5 20 IIBD COc1cc(Br)ccc1CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl 488500134 PBQFQBIBWZZBCD-UHFFFAOYSA-N 428.670 4.019 5 20 IIBD CCN(CC1CCN(c2ccccn2)CC1)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 489291746 NWJZXDDAPWMRGZ-QGZVFWFLSA-N 436.516 4.339 5 20 IIBD COc1ccc(CNCC[C@@]2(O)C[C@H]3CC[C@H]2C3)cc1OCc1ccc([N+](=O)[O-])cc1 491575351 ZQYQCKKMKUOFCJ-VAXXYWNWSA-N 426.513 4.213 5 20 IIBD O=C(NCc1ccc(Cn2cnc3ccccc32)cc1)c1ccc([N+](=O)[O-])c2cccnc12 498176034 ITCSNAQARWTNHJ-UHFFFAOYSA-N 437.459 4.471 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 498832088 UMPFJBWWSIGLBS-NSHDSACASA-N 427.427 4.266 5 20 IIBD CC1CCC(NS(=O)(=O)c2ccc(N(C)[C@@H](C)c3cccnc3)c([N+](=O)[O-])c2)CC1 498925749 CEKZXHHDLIEUFK-PQUAAJSLSA-N 432.546 4.044 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N(C2CC2)[C@H]2CCCc3ccccc32)cc1OC 500234013 WNPOWKASDBDNKV-FQEVSTJZSA-N 440.496 4.311 5 20 IIBD CN(C)CCOc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c1 500275465 VKAGLQHIMJFFBZ-UHFFFAOYSA-N 434.496 4.400 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@H]1CCOc2c(-c3ccccc3)cccc21 500688126 NYYULSUHJPUPSG-NRFANRHFSA-N 438.505 4.248 5 20 IIBD O=C(N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1n[nH]c2ccc([N+](=O)[O-])cc12 500933370 JQFUDQWHWRFVAK-QFIPXVFZSA-N 428.448 4.316 5 20 IIBD CCCCOc1ccc([C@H](C)NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1OC 501465255 DKGZYCVSRXXSIR-AWEZNQCLSA-N 430.457 4.045 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cc(Cl)ccc1N1CCSCC1 501620478 ZVKREPHVLHLVKL-UHFFFAOYSA-N 436.921 4.132 5 20 IIBD CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CCN(C(=O)CCc2ccccc2)C1 504912553 XLSIFNZILZOYAK-PMACEKPBSA-N 427.570 4.289 5 20 IIBD COc1ccc(CSCC(=O)N2CCO[C@@H](c3ccccc3Cl)C2)cc1[N+](=O)[O-] 505130178 MHXZFOIXJCJAHY-LJQANCHMSA-N 436.917 4.090 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1cccc(C(=O)c2ccccc2)c1 505377430 PDEIBVWYIMXRCR-UHFFFAOYSA-N 445.431 4.153 5 20 IIBD CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] 509974413 VZMDVHZVWBKSGO-XMMPIXPASA-N 433.508 4.090 5 20 IIBD O=C(NCC1(c2ccc(Br)cc2)CCOCC1)Nc1cccc([N+](=O)[O-])c1 510111114 AJENTIMPOAABCX-UHFFFAOYSA-N 434.290 4.227 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 510239689 JDSTXHZWKQLFAN-QGZVFWFLSA-N 440.569 4.246 5 20 IIBD O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)cc1 511251338 MLEMUMVDAQPLBS-GOSISDBHSA-N 444.431 4.107 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 511975009 BIOYFCPFXKUNLE-MRXNPFEDSA-N 436.434 4.076 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 512277641 MLQCOPADMCUTGA-HOYKHHGWSA-N 433.512 4.304 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@@H]2CCN(c3ccccn3)C2)cc1 513544593 KCKSNTDPPICEFG-OAQYLSRUSA-N 440.507 4.211 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccccc3N3CCCC3=O)cc2[N+](=O)[O-])C1 514056163 YISLLTSFWIDSKY-IAGOWNOFSA-N 436.512 4.456 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)c([N+](=O)[O-])cc1OC 514442456 GQTSJMVSRAHXBO-UHFFFAOYSA-N 448.325 4.457 5 20 IIBD CCOC(=O)C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1cccc(OC)c1 515451522 INAGGWUVIPYKLC-KRWDZBQOSA-N 428.466 4.242 5 20 IIBD COc1ccc([C@H](Cc2ccccc2)Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 517791355 JVMSDPRSLMGNTR-NRFANRHFSA-N 426.494 4.403 5 20 IIBD CC1CCN([C@@H](CNC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)c2ccccc2)CC1 518457522 WZIVWKUZYQIULE-QFIPXVFZSA-N 434.496 4.052 5 20 IIBD CCn1c([C@@H](C)NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)nc2ccccc21 518577164 OAAJDCXUGOHANL-MRXNPFEDSA-N 446.511 4.317 5 20 IIBD COc1ccc(CC[C@@H](C)NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 519171005 HDRCMVDFFLQNDZ-MRXNPFEDSA-N 436.512 4.216 5 20 IIBD C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 533056942 KLHLXXOAQQKMTF-SWLSCSKDSA-N 448.405 4.306 5 20 IIBD Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)C2)cc1 534247760 BWVBOHIATGGNOK-INIZCTEOSA-N 435.484 4.058 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1cccc(COCC(F)(F)C(F)F)c1 535486048 IFNQWNRMBNECJI-UHFFFAOYSA-N 429.370 4.376 5 20 IIBD CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C 535821549 NOSKPGRKLNKKDP-UHFFFAOYSA-N 437.418 4.428 5 20 IIBD C[C@@H](Cc1cc(Br)ccc1F)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 536231756 IVKWNAZIGZAZJL-NSHDSACASA-N 434.265 4.268 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C3)cs1 536791586 UBSOGKDDOFAIBU-UHFFFAOYSA-N 428.539 4.475 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@@H](C)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 536897673 WJCLEIWSYVCCOI-WYRIXSBYSA-N 434.290 4.430 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 539651248 VNTSTSDEZIBPTA-GOSISDBHSA-N 441.553 4.266 5 20 IIBD COc1cc(C(=O)N2CCc3sc(-c4csc(C)n4)cc3C2)c([N+](=O)[O-])cc1OC 540132296 VAOGPQNWUAIBOV-UHFFFAOYSA-N 445.522 4.304 5 20 IIBD C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCCCc1nc(-c2ccncc2)cs1 540181776 IEYLVMHOXPWLEK-OAHLLOKOSA-N 425.514 4.053 5 20 IIBD CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 541261635 JEMZENSMQNNFCE-KRWDZBQOSA-N 433.961 4.321 5 20 IIBD CCc1ccc([C@@H](NCc2ccc(N3CCO[C@@H](C)C3)nc2)c2ccc([N+](=O)[O-])cc2)o1 541545714 JSDIFJVUXNJACD-XDHUDOTRSA-N 436.512 4.250 5 20 IIBD CCC(C)(C)OCc1ccccc1NC(=O)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 541698895 XLEKPNRIBZLNAO-INIZCTEOSA-N 427.501 4.424 5 20 IIBD C[C@H](C(=O)N1CCC2(CCN(Cc3ccccc3)C2)CC1)c1ccc([N+](=O)[O-])cc1F 544411328 AEMOWTGLZAICBD-SFHVURJKSA-N 425.504 4.352 5 20 IIBD COc1ccc(Cc2nc(-c3cc(Cl)ccc3O[C@@H]3CCOC3)no2)cc1[N+](=O)[O-] 547199336 DSUHBIDZHQCZJM-CQSZACIVSA-N 431.832 4.065 5 20 IIBD CCn1c(-c2cccc3cccnc23)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 549070431 CQJKMKVKFYFUOW-UHFFFAOYSA-N 444.495 4.469 5 20 IIBD CC(C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 551767572 BIKOUPSASUQGTI-JSGCOSHPSA-N 426.311 4.017 5 20 IIBD C[C@H](CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])Oc1ccccc1Br 553608823 PHLCRQNGWAFIGW-CQSZACIVSA-N 436.306 4.009 5 20 IIBD C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] 554023589 TVGLZXQVKYVBQW-CYBMUJFWSA-N 438.297 4.312 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccncc1OCc1ccccc1 557070085 GEIRCCMZAYZXMA-HNNXBMFYSA-N 441.871 4.306 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(-c2ccc(C(=O)N(C)C)cc2)no1 561863289 HVGQVFVSGKVWMH-UHFFFAOYSA-N 431.246 4.085 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)Cc1noc(COc2ccc([N+](=O)[O-])c(C)c2)n1 564272475 SECWZPHTGIMOQC-UHFFFAOYSA-N 446.847 4.017 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1 564475797 HYJUBASETIIPLA-UHFFFAOYSA-N 435.402 4.310 5 20 IIBD C[C@H](C(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 569546412 OYHFUVJOJICZFG-NSHDSACASA-N 443.809 4.468 5 20 IIBD Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 571533883 HEMLUDJHMRTKGX-YOEHRIQHSA-N 442.903 4.365 5 20 IIBD O=[N+]([O-])c1cnc(N2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)c(Br)c1 577139236 MZGNKJHLHDOVMF-CQSZACIVSA-N 448.195 4.229 5 20 IIBD CSc1cccnc1-c1noc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 583466926 CLNYZDODVAKMFZ-OAHLLOKOSA-N 425.470 4.047 5 20 IIBD CCCCOc1ccc(-c2nnc(Cn3c(C)cn(-c4cccc([N+](=O)[O-])c4)c3=O)o2)cc1 585707502 JDMWWZSTWMWFQM-UHFFFAOYSA-N 449.467 4.133 5 20 IIBD COc1cc([N+](=O)[O-])ccc1-c1nc(Cc2c(F)ccc(Br)c2F)no1 589152299 DYLVZWOWIGYZSG-UHFFFAOYSA-N 426.173 4.285 5 20 IIBD COc1cc(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OC 603573203 WKRMCFZYOZMMEP-IUCAKERBSA-N 444.328 4.251 5 20 IIBD COc1cc(C)ccc1Oc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cn1 603975654 ASWBIAXUEFQOFB-UHFFFAOYSA-N 429.454 4.208 5 20 IIBD CCOC(=O)c1cc(C(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)cc([N+](=O)[O-])c1 603982530 QKZFJXFSZJIHER-INIZCTEOSA-N 449.463 4.237 5 20 IIBD COc1ccc(CNC(=O)N2CCC(Oc3ccc(C(C)C)cc3)CC2)cc1[N+](=O)[O-] 604078691 BDRFJTYBDKEKFQ-UHFFFAOYSA-N 427.501 4.480 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C 604457682 PHPUAKAENFTBBZ-AWEZNQCLSA-N 445.541 4.193 5 20 IIBD COc1cccc(N2CC[C@@H](NC(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)C2)c1 609111818 ROYGNSVYJGERKL-HXUWFJFHSA-N 446.507 4.224 5 20 IIBD O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N(Cc1ccccc1F)c1ccc(F)cc1 609230708 PLAHAZVGRSLGIM-UHFFFAOYSA-N 435.390 4.301 5 20 IIBD O=C(NCc1ccco1)c1cccc(CSCc2cc([N+](=O)[O-])cc3c2OCOC3)c1 609238710 VDETYHKAFDNSKX-UHFFFAOYSA-N 440.477 4.418 5 20 IIBD CCN(CC)[C@H](CNC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1ccccc1Cl 609489858 CKLPKMNERBGPPS-HXUWFJFHSA-N 442.903 4.315 5 20 IIBD O=C(NCCc1cccc(OCCCc2ccccc2)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 609558739 PWDWTHSOTDJXPA-UHFFFAOYSA-N 448.475 4.308 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 609755964 ZMLPUQJSBIERFH-UHFFFAOYSA-N 446.431 4.028 5 20 IIBD Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 609883861 VZUDFCOQQYJHPS-HNNXBMFYSA-N 443.916 4.402 5 20 IIBD CSc1ccc(C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] 609885155 HMPHMRVMONJRFR-UHFFFAOYSA-N 449.960 4.243 5 20 IIBD COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 610152389 UFDNXDJBNSJINW-WMLDXEAASA-N 435.318 4.430 5 20 IIBD COc1ccc(-c2noc(COc3ccc(Br)cc3[N+](=O)[O-])n2)c(OC)c1 610219576 SINZZVJRQPLIDI-UHFFFAOYSA-N 436.218 4.004 5 20 IIBD O=C(NCc1cc2c(nc1O)CCC2)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 612545092 GNEHSQCWKJPFCM-UHFFFAOYSA-N 427.526 4.396 5 20 IIBD CCN([C@@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1OC 619488884 LJAWOYACLQAWQH-NRFANRHFSA-N 441.509 4.107 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCOc2c(Br)cccc2C1 619638185 MZMGESPZZQXJKL-UHFFFAOYSA-N 436.262 4.183 5 20 IIBD Cc1ccc(C2=CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)cc1 726500495 ZSFFFMOEGYYRTE-HSZRJFAPSA-N 433.508 4.132 5 20 IIBD O=C(COC(=O)c1csc(Cc2ccc(F)cc2)n1)Nc1ccc([N+](=O)[O-])cc1Cl 727021929 ZFLIBGMIZMVETR-UHFFFAOYSA-N 449.847 4.230 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C(=O)Nc1ccccc1-c1ccccc1 727569308 XDDHBDQKAPGCBQ-HNNXBMFYSA-N 448.431 4.217 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 729545416 DPKVFRQESYFLSH-UHFFFAOYSA-N 426.864 4.445 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)C1CCN(Cn2c(=S)oc3ccc([N+](=O)[O-])cc32)CC1 730259491 SPDBTYMUHCVAGW-ZDUSSCGKSA-N 436.534 4.455 5 20 IIBD O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1OCc1cccs1 731520891 OYOMRDGJJPDNMA-FQEVSTJZSA-N 438.461 4.198 5 20 IIBD O=C(O[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 733425733 LYUVZJRQHNHSFS-KRWDZBQOSA-N 433.342 4.057 5 20 IIBD COc1cc(C(=O)Oc2cccc(NC(=O)c3cccs3)c2)c([N+](=O)[O-])cc1OC 734116857 LXRSODUITDFLGL-UHFFFAOYSA-N 428.422 4.145 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 735821553 MSBVALLPJFZDPL-INIZCTEOSA-N 445.903 4.203 5 20 IIBD Cc1cccc([C@@H]2CCCN2c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)c1C 742413209 ZFZLQQRWCLMPLO-FQEVSTJZSA-N 429.542 4.338 5 20 IIBD CC1(C)[C@@H]2OCCC[C@H]2[C@H]1OC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 744191069 XXPQKQUYHYCVRC-SSKCKEOISA-N 440.283 4.448 5 20 IIBD CCN(CC)[C@H](C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 744995228 CQTLXPRSMDFWCR-KUHUBIRLSA-N 433.892 4.202 5 20 IIBD C[C@H]1[C@H](C(F)(F)F)OC(=O)N1c1ncccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 746485790 UZHNXFOATWHTFD-ISVAXAHUSA-N 444.753 4.172 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)Nc1cccc2ncccc12 747126212 UAJUSIPBOBMLGN-LLVKDONJSA-N 433.342 4.346 5 20 IIBD Cc1cccc(-c2nnc([C@H](C)OC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)o2)c1 748946944 KLVFMURMWRYSGK-ZDUSSCGKSA-N 426.385 4.396 5 20 IIBD O=C(CCc1nc(O)c2ccccc2n1)Oc1ccc(Cc2ccccc2)cc1[N+](=O)[O-] 749064647 GJOYMXHJCIEHRY-UHFFFAOYSA-N 429.432 4.373 5 20 IIBD COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 749660421 AMYDXQGDYDSDSS-RDGATRHJSA-N 434.492 4.293 5 20 IIBD COC(=O)[C@@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])Cc1ccc2ccccc2c1 749999408 ZIEKWCGHPMKCEO-QGZVFWFLSA-N 426.856 4.163 5 20 IIBD Cc1c(Br)cc(C(=O)O[C@H](C)c2nc(O)c3ccccc3n2)cc1[N+](=O)[O-] 753431479 VRZBYTJYGMXIOB-SNVBAGLBSA-N 432.230 4.233 5 20 IIBD CCc1ccc([C@H](NC[C@H](O)c2cc(OC)cc(OC)c2)c2ccc([N+](=O)[O-])cc2)o1 753672543 WSVJUJRATLVWDF-JTHBVZDNSA-N 426.469 4.180 5 20 IIBD O=C(Nc1ccccn1)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2Br)c1 753813461 KDHRLEZNHVIWAP-UHFFFAOYSA-N 441.241 4.257 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cccc3c2CCN3C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 753982935 BLXVBRBFOCZNNG-UHFFFAOYSA-N 433.486 4.002 5 20 IIBD COC[C@H](C)n1c(SCC(=O)Oc2ccc(C)c([N+](=O)[O-])c2)nnc1-c1ccccc1 755251168 SFOHSSUPSLSXHJ-HNNXBMFYSA-N 442.497 4.067 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H](C)C(=O)c1cc(C)n(Cc2ccco2)c1C 755676216 BCNNXBSZSMMHEB-HNNXBMFYSA-N 426.425 4.091 5 20 IIBD COC(=O)c1ccc(-c2nc(COC(=O)CCc3cccc([N+](=O)[O-])c3)cs2)cc1 756533933 GLVUYJKJJHGBEA-UHFFFAOYSA-N 426.450 4.181 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)c1F 760356367 NVISEQSUJSRVHA-GDLZYMKVSA-N 448.497 4.151 5 20 IIBD Cc1cc(-c2noc([C@@H](C)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)n2)ccc1F 761049610 SGBBJYLZXNQJHX-CQSZACIVSA-N 439.447 4.184 5 20 IIBD Cc1c(C(=O)N2CCC(CCN3CCCC[C@H]3C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 763758869 HPOMLGDDQKKFHR-OAHLLOKOSA-N 432.521 4.237 5 20 IIBD O=C(Nc1ccc(Cl)cc1Br)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 764210487 YPAPOVVFWVKHOW-UHFFFAOYSA-N 439.697 4.365 5 20 IIBD C[C@H](c1ccsc1)N1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 765843205 SDZGCIHCMMDEKO-LLVKDONJSA-N 442.310 4.077 5 20 IIBD O=C(NC[C@@H](O)c1ccc(-c2ccccc2)cc1)c1cc([N+](=O)[O-])ccc1N1CCCC1 768560149 KFYKDFAHHXBZSR-XMMPIXPASA-N 431.492 4.325 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1I)N1CCCc2ccc(F)c(F)c21 770383626 IEQOGXOPOZMEEI-UHFFFAOYSA-N 444.175 4.071 5 20 IIBD CCN(C[C@H]1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1)CC(F)(F)F 771149651 GQFWRRGGMBBYIM-SNVBAGLBSA-N 444.332 4.232 5 20 IIBD Cc1cc(C(=O)OCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)ccc1NC(=O)OC(C)(C)C 772288128 AMDRMIWZNZDTDZ-UHFFFAOYSA-N 443.456 4.070 5 20 IIBD CO[C@H]1CCC[C@@H]1CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 775593156 NVPSHMLUAUZJIG-YJYMSZOUSA-N 431.876 4.045 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)C[C@@H](C)C(=O)c1ccc(Cl)cc1 777215861 KJPLZTASVKBTAO-CHWSQXEVSA-N 448.859 4.036 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnn(CN3CCO[C@H](c4cccc(OC(F)F)c4)C3)c2)c1 777957695 JIYDZUICUQWQAN-FQEVSTJZSA-N 430.411 4.091 5 20 IIBD O=C(OCCCc1nc(-c2ccccc2)no1)c1cccc([N+](=O)[O-])c1Br 781675801 HWXJTGLXBDCNRU-UHFFFAOYSA-N 432.230 4.197 5 20 IIBD O=C(OCc1nc2ccccc2n1C(F)F)c1cccc([N+](=O)[O-])c1Br 781679176 XUSZTMDVBMTBQI-UHFFFAOYSA-N 426.173 4.459 5 20 IIBD CC(C)Oc1ccc(Br)cc1NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781742931 VSHXLEZEKVNPTA-GOSISDBHSA-N 448.273 4.276 5 20 IIBD O=C(Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])c1cc2c(c([N+](=O)[O-])c1)OCO2 782850430 XMAZQUXAXDQNNS-UHFFFAOYSA-N 437.364 4.063 5 20 IIBD Cn1cc(CNC[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 784663183 YGFADKZAEVQDTG-HSZRJFAPSA-N 443.548 4.122 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](OC(=O)[C@H]1CC12CCOCC2)c1ccccc1 786452401 JFTAIRFICGPKAT-APWZRJJASA-N 444.871 4.288 5 20 IIBD Cc1nc(Br)ccc1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 786520090 DHLGKTPFYAPSAC-UHFFFAOYSA-N 429.068 4.384 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)OCCCC2CCOCC2)cc1[N+](=O)[O-] 789546738 JRCPIVHMRFMPOP-UHFFFAOYSA-N 440.496 4.255 5 20 IIBD CCCn1ncnc1COC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 789702607 YHVFZGPZEGJYAI-UHFFFAOYSA-N 446.847 4.408 5 20 IIBD COc1ccccc1-c1nc(C2CCN(Cn3nc(C)c4cc([N+](=O)[O-])ccc43)CC2)no1 790455705 KOCVMLNRJOBCRJ-UHFFFAOYSA-N 448.483 4.149 5 20 IIBD C[C@H](Cc1cccc(Br)c1)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790547380 RJWQOTNIDVGODT-SNVBAGLBSA-N 429.673 4.440 5 20 IIBD CS(=O)(=O)c1ccc(COC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cc1 791734455 UJEWEOSEYAAKNH-UHFFFAOYSA-N 427.434 4.148 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1nc(Br)ccc1Br 792534652 HLSGSQRFJMBTNQ-UHFFFAOYSA-N 435.459 4.421 5 20 IIBD O=[N+]([O-])c1ccc(Br)c2c1CN(Cc1nc(O)c3ccc(Cl)cc3n1)CC2 792899173 PCMZAYXTZQHNJB-UHFFFAOYSA-N 449.692 4.218 5 20 IIBD CN(Cc1ccccc1Br)C(=O)COc1cc(F)c([N+](=O)[O-])cc1Cl 795248181 YESIUMPVRFGREP-UHFFFAOYSA-N 431.645 4.187 5 20 IIBD C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 796441992 FKPBWMJMWKPNQA-SBUREZEXSA-N 442.947 4.173 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(Cc2ccccc2)C[C@H](O)c2cccs2)c1 798332662 ZCSTZDMESFJPHH-FQEVSTJZSA-N 440.521 4.496 5 20 IIBD O=C(O[C@H]1CCN(CC(F)(F)F)C1=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] 799553031 GYUOFUCWPNUMPT-AWEZNQCLSA-N 440.399 4.066 5 20 IIBD CN(CC(=O)Nc1cccc(-c2ncco2)c1)c1cc(Br)ccc1[N+](=O)[O-] 802862147 MFZLOZORURBDNN-UHFFFAOYSA-N 431.246 4.087 5 20 IIBD CCOC1CC(COC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 802948314 WCUYUPRBZORFEK-UHFFFAOYSA-N 435.480 4.348 5 20 IIBD O=C(NS(=O)(=O)c1csc2ccccc12)c1ccc2[nH]c3ccccc3c(=O)c2c1 803030118 KDTZTEPHIYBYHH-UHFFFAOYSA-N 434.498 4.015 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CCC([C@H](F)c2ccccc2F)CC1 807298642 FYVBPRVYCOPOTR-SFHVURJKSA-N 435.402 4.069 5 20 IIBD C[C@H](OC(=O)COc1cccc([N+](=O)[O-])c1)c1ccc(S[C@H]2CCCCNC2=O)cc1 809046333 DAYNFGBZIFTFKC-YWZLYKJASA-N 444.509 4.039 5 20 IIBD Cc1ccccc1[C@@H](NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C(C)C 810363876 GOTHXIPIBSVMSM-KRWDZBQOSA-N 434.290 4.118 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])OCC(=O)c1ccc(C(F)(F)F)nc1Cl 811029897 CFWRLPMNQBNQTE-UHFFFAOYSA-N 434.779 4.180 5 20 IIBD O=C(COc1ccc(N2CCCC2=O)cc1)OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811040734 RLPKXXMOLLMGFS-UHFFFAOYSA-N 439.251 4.151 5 20 IIBD COc1ccc(C[C@](C)(O)CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1OC 811515669 CIANJKVCFAEMRF-IBGZPJMESA-N 429.300 4.002 5 20 IIBD CCCS(=O)(=O)Nc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 813423259 BKKOUSYPNLXZHC-UHFFFAOYSA-N 432.285 4.306 5 20 IIBD CCO[C@@H]1C[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@H]1Oc1ccccc1 813525568 XCTFDVYVKBBUGV-JFIYKMOQSA-N 425.268 4.256 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CCc3nc(C4CCCCC4)[nH]c3C2)c1 819546340 LTYIUNRKNWEXEU-KRWDZBQOSA-N 426.517 4.117 5 20 IIBD CC(C)N(C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccccc1 823280492 NGBVUODIUWMVHR-UHFFFAOYSA-N 425.485 4.184 5 20 IIBD Cc1c(C(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cnn1-c1ccc(Cl)cc1 825369871 GHWUGUYWLQCOPW-UHFFFAOYSA-N 449.250 4.191 5 20 IIBD Cc1cc(C)c(OC(=O)CCNC(=O)Nc2ccc(Br)cc2)c([N+](=O)[O-])c1 916040567 UXAYRSYWQHMRME-UHFFFAOYSA-N 436.262 4.091 5 20 IIBD CCOc1ccc([C@@H](NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])c2ccccc2)cc1 917177911 XJTUBCIOYOONMB-DEOSSOPVSA-N 434.448 4.091 5 20 IIBD C[C@H](OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1nc2ccccc2n1C(F)F 917366598 FYFIUCPPJDEFNX-LBPRGKRZSA-N 427.367 4.443 5 20 IIBD Cc1nc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])sc1Cc1cccc(F)c1 918195114 JNZPOZALPQVPJO-UHFFFAOYSA-N 425.438 4.030 5 20 IIBD C[C@@H](OC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1)c1cccc([N+](=O)[O-])c1 920159911 UEOHLMPDHNSZQQ-NPQOUYBPSA-N 431.408 4.144 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc([C@@H]3COc4ccc(F)cc4C3)n2)c(Br)c1 1116594134 JNMKEDRDWWBTGN-LBPRGKRZSA-N 434.221 4.189 5 20 IIBD O=C(Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1)N1Cc2ccc([N+](=O)[O-])cc2C1 1116699105 ITEHMZAXTLVWRM-UHFFFAOYSA-N 447.373 4.286 5 20 IIBD CCCN(Cc1nc(O)c2sccc2n1)C(=O)Nc1cc([N+](=O)[O-])ccc1OCC 1116916799 GARWMOYDVNMBTJ-UHFFFAOYSA-N 431.474 4.148 5 20 IIBD O=[N+]([O-])c1ccc(/C=C/c2nnc(CN3CCN(Cc4ccc(Cl)cc4)CC3)o2)cc1 1322638149 NARZXPDIVWPEKA-BJMVGYQFSA-N 439.903 4.119 5 20 IIBD CC(=O)Nc1ccc(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)nc1 1323782968 KDMHWQDIWKXCME-UHFFFAOYSA-N 429.483 4.117 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@]3(F)Cl)CCC2)cc1 1785795514 RZNWDYZLSKJPMY-AVRDEDQJSA-N 445.878 4.196 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3nc[nH]c3[N+](=O)[O-])cc2)CCC1)c1ccc(C2CC2)cc1 1788614007 JYBZMSMOSTVSKX-UHFFFAOYSA-N 445.479 4.257 5 20 IIBD Cc1ccc(F)cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C2 1792719052 RQBXKUYEKGSBRO-LDEDEHCMSA-N 437.471 4.008 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1=CCCS1 1801206073 MBEFJWJTUAEFAZ-QDMKHBRRSA-N 443.550 4.082 5 20 IIBD CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 1804338712 QLCNNOCKDHTPKL-URCRHWKBSA-N 447.535 4.440 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCCC2(CCN(C(=O)CCC3CCC3)CC2)C1 1805681021 YIFZAHDMEWWGEV-RMKNXTFCSA-N 429.517 4.013 5 20 IIBD O=C(CCC1CCC1)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])[nH]n1 1815051959 ZWUYEDKBCASSHB-SFHVURJKSA-N 443.479 4.343 5 20 IIBD C[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1)c1cccs1 1829835978 ODZXYEGJTGIAHF-CRAIPNDOSA-N 444.557 4.021 5 20 IIBD C[C@@H](Sc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 8640356 LGODIVKLRWMXNL-SECBINFHSA-N 448.501 4.030 5 20 IIBD CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 9664225 MPPFWFOXXZUHEV-UHFFFAOYSA-N 431.905 4.181 5 20 IIBD CCN(CC)CCn1c(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])nc2ccccc21 11559101 JOSHPCFKWJYNQF-UHFFFAOYSA-N 427.530 4.261 5 20 IIBD CSc1ccc(C(=O)OCC(=O)Nc2ccccc2SC(F)F)cc1[N+](=O)[O-] 12808511 UZIGZKMYZDKJIS-UHFFFAOYSA-N 428.438 4.427 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1CCN(c2nc3ccccc3o2)CC1 14369577 RVVZBKKVLLIAJU-UHFFFAOYSA-N 428.876 4.264 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 15383379 YVAFYKKVLBRWQA-UHFFFAOYSA-N 449.216 4.278 5 20 IIBD O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 16806791 SGCRHLCZXSAKPS-UHFFFAOYSA-N 447.476 4.117 5 20 IIBD CCOc1ccc(SCC(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 17742597 ZLDMGSREMHGXRD-CYBMUJFWSA-N 429.454 4.440 5 20 IIBD COc1ccc2cc(/C=C/C(=O)O[C@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)ccc2c1 18019570 PTSIWEXJQCMQQC-LZTOIUFZSA-N 438.411 4.479 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)cc1OC 18969452 SUZYBQBZZHRKCR-TWLOVUBOSA-N 431.485 4.333 5 20 IIBD O=C(COc1cccnc1[N+](=O)[O-])N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1 27267692 SSPZGIVIKQCBHX-MRXNPFEDSA-N 432.392 4.086 5 20 IIBD Cc1cccc(Nc2ccccc2C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1C 33111063 HPALTMFQOQWRRM-UHFFFAOYSA-N 431.496 4.313 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 39539778 OSHGDOMPIABEKB-UHFFFAOYSA-N 435.867 4.375 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(CN3CCC(C)CC3)cc2)c([N+](=O)[O-])cc1OC 60846971 AUBXFFGWPFFGIB-UHFFFAOYSA-N 427.501 4.486 5 20 IIBD Cc1cc(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)n(-c2ccc([N+](=O)[O-])cc2)n1 105526466 DBUSXYKEGYUHGK-UHFFFAOYSA-N 428.832 4.156 5 20 IIBD CCOc1cc(C(=O)Nc2sc3c(c2C(=O)OC)CCCCC3)c([N+](=O)[O-])cc1OC 107799883 KFPMTZDIZQVTPG-UHFFFAOYSA-N 448.497 4.371 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@@H](c2ccsc2)N(C)C)cc1[N+](=O)[O-])c1ccccn1 108780475 OZILHVSTLRBKRY-BTYIYWSLSA-N 439.541 4.257 5 20 IIBD CN(C[C@H]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C 110456611 HEEMBOOBJYIYOD-CYBMUJFWSA-N 428.327 4.441 5 20 IIBD COc1ccc([C@H](Nc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)c2nccn2C)cc1 301075671 DBQIDMTZWRBTAU-NRFANRHFSA-N 430.468 4.304 5 20 IIBD O=C(Nc1ccccc1)C1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 301105029 RNPZKOKAHVMQHM-UHFFFAOYSA-N 438.362 4.377 5 20 IIBD Cc1cc(C)n(-c2ccccc2CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])n1 301689995 YFRIFVPSNRLLQP-UHFFFAOYSA-N 436.440 4.006 5 20 IIBD CCc1ccc([C@@H]2COCCN2C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)o1 426274124 BANKFBGMAVRVAG-INIZCTEOSA-N 427.379 4.052 5 20 IIBD CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 427461415 ZTROARNEGGILMY-NRFANRHFSA-N 437.887 4.474 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCc1cccc(CN2CCCCCC2)c1 428012353 DPIPYIUNCNLDAT-UHFFFAOYSA-N 448.523 4.214 5 20 IIBD O=[N+]([O-])c1cc(F)cc(Oc2nc(CN3CCOCC3)nc3sc4c(c23)CCCC4)c1 433409103 GBBUHYVMQYCBFU-UHFFFAOYSA-N 444.488 4.242 5 20 IIBD Cc1cc(C(=O)NCC(=O)N[C@@H](C)c2cccc(OCc3ccccc3)c2)ccc1[N+](=O)[O-] 434386443 RXPGKCUKDZTBBM-SFHVURJKSA-N 447.491 4.089 5 20 IIBD CC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 435932878 DJSDUFMNPPJWQH-UHFFFAOYSA-N 431.467 4.310 5 20 IIBD COCCN(C)CC[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccccc1 436320369 SZPFDHLQFUEHMQ-HSZRJFAPSA-N 443.547 4.121 5 20 IIBD O=C([C@@H]1CCCN(c2ncnc3sccc23)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437461630 LKVFZZJSBSRBBU-MRXNPFEDSA-N 437.525 4.007 5 20 IIBD CC(C)c1ccc(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)c2nc[nH]n2)cc1[N+](=O)[O-] 439733944 PBOXSYGOEACXBU-QGZVFWFLSA-N 433.390 4.375 5 20 IIBD O=C(Nc1cc(Cl)c(Cl)cc1F)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 439861693 ZJJSFVGVGXWHGA-UHFFFAOYSA-N 426.231 4.170 5 20 IIBD O=C(Nc1cccc(CCC(F)(F)F)c1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 440713551 OSUQGNSTXGUVCI-AWEZNQCLSA-N 441.431 4.395 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cc1 443965884 KWVGZZXLAJZXDU-CQSZACIVSA-N 426.775 4.110 5 20 IIBD CCN(C[C@H]1COc2ccccc2O1)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444012017 UGBBTTJOMMSSTM-HNNXBMFYSA-N 432.451 4.123 5 20 IIBD Cc1ccc(-n2cc(C(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)c(C(C)(C)C)n2)cc1 444633488 CSNFDFUOXLGCIM-UHFFFAOYSA-N 432.484 4.193 5 20 IIBD Cc1nn(-c2ccc(Br)cc2)cc1CNCc1nc2ccc([N+](=O)[O-])cc2[nH]1 446827428 OFAJSGZFEKSMRW-UHFFFAOYSA-N 441.289 4.018 5 20 IIBD COc1cc(Cl)c(S(=O)(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1Cl 446919210 RLQHEBWSWCNTFD-UHFFFAOYSA-N 431.297 4.264 5 20 IIBD CC[C@H]1c2ccsc2CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 447037338 IGRXDFSQPBEVNW-ZDUSSCGKSA-N 431.333 4.117 5 20 IIBD CCc1nc(C)c([C@H](C)N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)s1 447041809 ZIPRWUCMPWNMTF-JTQLQIEISA-N 437.465 4.323 5 20 IIBD CC[C@@H](C)C(=O)Nc1cccc(CNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])c1 447803798 UQKNVIHOPOVRCR-QGZVFWFLSA-N 426.517 4.024 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)N2CCc3c(F)cccc32)cc1[N+](=O)[O-] 461747232 QSKUIWZHOPZUSV-UHFFFAOYSA-N 433.439 4.234 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cc1 462573083 HNCPWFCGZYLLPD-UHFFFAOYSA-N 431.297 4.134 5 20 IIBD CCc1cc(=NC(=O)[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)c2cc([N+](=O)[O-])ccc2[nH]1 462613326 HWGWOBOXZLGQJD-LLVKDONJSA-N 449.433 4.245 5 20 IIBD COC(=O)c1cc(Br)cc(-c2nc(Cc3cccc([N+](=O)[O-])c3C)no2)c1 463060795 LSZUGKWXCUUGFZ-UHFFFAOYSA-N 432.230 4.093 5 20 IIBD Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)nn1-c1ccccc1Cl 463795217 BISDFMXQEXQDDS-UHFFFAOYSA-N 443.872 4.091 5 20 IIBD O=C(NCCC(=O)N(CC1CC1)c1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 464709125 GXIRJAACCFEHBQ-UHFFFAOYSA-N 435.402 4.177 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2 466256946 UEVADSIUIGQQCP-HNNXBMFYSA-N 425.485 4.322 5 20 IIBD COc1cc(CNC[C@@]2(C)CCO[C@@H]2C2CC2)c([N+](=O)[O-])cc1OCc1ccccc1 466451512 JWJRUZLLDGJBNO-DNQXCXABSA-N 426.513 4.477 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)N(Cc1cccc(Br)c1)C1CCOCC1 468158993 VMBCEFJFEKIVTJ-UHFFFAOYSA-N 433.302 4.108 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1F 469761068 PZXHYNFTTQBKSZ-HXUWFJFHSA-N 447.850 4.168 5 20 IIBD COC(=O)c1nc([C@@H]2CCCN2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)sc1C 470992274 HRQYFPYGXNWWBZ-INIZCTEOSA-N 442.497 4.181 5 20 IIBD Cc1nc2cc(C(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc34)ccc2n1Cc1ccsc1 473077449 TZSUALSKSDHJKM-UHFFFAOYSA-N 432.465 4.491 5 20 IIBD CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 474438562 JIQKHWWQZDOHCV-MRXNPFEDSA-N 429.496 4.067 5 20 IIBD COC(=O)[C@H](Cc1c[nH]c2ccccc12)Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 475526658 LYOLQKLKKSBYSB-FQEVSTJZSA-N 446.463 4.246 5 20 IIBD COC(=O)c1cc(C(=O)NCc2nc(-c3cc4ccccc4o3)cs2)cc([N+](=O)[O-])c1 477902353 JZUFUAUMIVZJRJ-UHFFFAOYSA-N 437.433 4.181 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1 478506888 KSKBCHRPFCABMB-UHFFFAOYSA-N 439.855 4.082 5 20 IIBD COC(=O)[C@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)c(Cl)c1 479238351 WALFMNPISSTORH-QGZVFWFLSA-N 431.659 4.373 5 20 IIBD CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1 479788876 ZVUIXUKZZUYWTH-SSEXGKCCSA-N 426.498 4.080 5 20 IIBD CCN(C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1)CC(F)(F)F 481258265 NQVKTLMZDZIANO-NSHDSACASA-N 442.360 4.352 5 20 IIBD CCn1c(S[C@H](C)C(=O)NCCc2ccccc2C)nnc1-c1ccc([N+](=O)[O-])cc1 481340100 ONPYLMGMPFYSTH-MRXNPFEDSA-N 439.541 4.021 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@@](O)(C(F)(F)F)C1 483176660 YIHVWXVZCPDNJF-SFHVURJKSA-N 425.363 4.308 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3nnc(CC(F)(F)F)s3)cc2[N+](=O)[O-])C1 484979062 TYFUTMQAHCPSOB-PHIMTYICSA-N 443.451 4.286 5 20 IIBD CCOc1ccc(-c2noc(CS(=O)(=O)[C@H](C)c3cc([N+](=O)[O-])ccc3C)n2)cc1 485381503 JEDGZVVMNWPMHQ-CQSZACIVSA-N 431.470 4.028 5 20 IIBD COc1cc(C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)cc([N+](=O)[O-])c1C 485613535 KXFCUIKLDPNIOO-OAHLLOKOSA-N 427.482 4.347 5 20 IIBD O=C(O)CN(Cc1ccc(Cl)cc1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 485688959 BYBZNZWVBGQLQI-UHFFFAOYSA-N 431.857 4.099 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN3CCN(c4nnc(C(F)(F)F)s4)CC3)o2)cc1 485704304 ZOSLEAOOUAAPSS-UHFFFAOYSA-N 439.419 4.047 5 20 IIBD CC(C)C(=O)NC[C@@H]1CCCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 487345509 YZMCVWLCLGOLAL-KRWDZBQOSA-N 441.553 4.370 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])NCc1cn(-c2ccccc2)nc1-c1ccncc1 491095618 ZSWFSBARUYCBKD-UHFFFAOYSA-N 445.504 4.251 5 20 IIBD O=C(NCCCn1cnc2ccccc21)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 491375783 OPCXIPLDELEKCP-UHFFFAOYSA-N 430.464 4.344 5 20 IIBD CCC[C@]1(C(F)(F)F)CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 491544798 JJECEUSSVDJQSS-CYBMUJFWSA-N 445.257 4.243 5 20 IIBD O=C(c1ccc(F)cc1I)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 493005471 SGHJTKFZCDONMK-UHFFFAOYSA-N 440.212 4.143 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(F)ccc2Br)c(C(F)(F)F)c1 494442592 FDMXYAVQSJFYAW-UHFFFAOYSA-N 443.172 4.316 5 20 IIBD COC(=O)c1cccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1Br 495037066 JJGZRFOXYGANFC-UHFFFAOYSA-N 448.273 4.340 5 20 IIBD O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)c1cc([N+](=O)[O-])ccc1SCCO 497857506 DVUXJPUIFFCCJT-KRWDZBQOSA-N 438.452 4.088 5 20 IIBD COc1cc(Cl)c(S(=O)(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl 497985789 XYRLOHJJSZECCZ-INIZCTEOSA-N 449.337 4.347 5 20 IIBD Cc1c(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cccc1N1C(=O)CCNC1=O 500428526 KHHJCINUDFOWSZ-UHFFFAOYSA-N 437.481 4.085 5 20 IIBD COC(=O)c1cc(CSCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc(C(=O)OC)c1 500842419 RXWYQHUNYWFBBI-UHFFFAOYSA-N 442.449 4.256 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1CSc1nnc(N2CCOCC2)n1-c1cccc(F)c1 501131230 DWBUKQRFBRSZTA-UHFFFAOYSA-N 449.895 4.097 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(OC[C@H]2CCCO2)cc1 502062134 QKYBSEAFFAMBGY-HXUWFJFHSA-N 428.488 4.351 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 507400699 JZMHLIHJLKYJPX-IRXDYDNUSA-N 435.402 4.313 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCN(Cc3cscn3)CC2)cc1[N+](=O)[O-] 507876499 SLMMMCGJGUUHIM-UHFFFAOYSA-N 434.587 4.148 5 20 IIBD CN(Cc1ccccc1F)C(=O)COc1c([N+](=O)[O-])cnc2ccc(Br)cc12 508164738 QINLQVOUAZUKOK-UHFFFAOYSA-N 448.248 4.082 5 20 IIBD CCCN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@H]1CCCN(Cc2ccccc2)C1 508459600 VFLLOZPMRFXUQR-DEOSSOPVSA-N 447.539 4.297 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)cc2)cc1 512124857 TUHAVHFCELXJNY-UHFFFAOYSA-N 433.420 4.060 5 20 IIBD COCCN(C(=O)c1ccn(-c2ccccc2)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 512162616 FUFKXISKYWQHJO-UHFFFAOYSA-N 449.492 4.197 5 20 IIBD CC[C@@H](NC(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-])c1ccc(Cl)s1 512641559 IFWFIGXZJSNYQR-GFCCVEGCSA-N 427.910 4.320 5 20 IIBD C[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 513697313 MALZKNVFNAUZDP-LBPRGKRZSA-N 429.420 4.074 5 20 IIBD CCOC(=O)CN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H](C)c1ccccc1 513914489 GDBUTWKFZTYLKO-OAHLLOKOSA-N 439.493 4.485 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(-c2ccc(Cl)cc2)o1 514294185 QDEUMTKLZWEJNK-SNVBAGLBSA-N 434.861 4.426 5 20 IIBD O=C(NCc1ccccc1CN1CCCC1=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 515281353 FSXBONVQZGTEES-UHFFFAOYSA-N 445.475 4.440 5 20 IIBD O=C(NCC1(c2ccc(Cl)cc2)CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 516288354 ZNXRPSHAFYRPII-UHFFFAOYSA-N 436.295 4.468 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNCc3ccc(OCCO)cc3)o2)c(Br)c1 518274820 YVGNZVWNKFFCAA-UHFFFAOYSA-N 447.285 4.278 5 20 IIBD Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 520963063 DAWFJNXMXBNPEL-UHFFFAOYSA-N 444.495 4.482 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 522704472 CKWVHXJVBFTQDI-SFHVURJKSA-N 431.876 4.339 5 20 IIBD CCc1cc(O)nc(-c2cccc(NC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])c2)n1 523955758 JQYYSTYFMVCJBK-UHFFFAOYSA-N 442.859 4.381 5 20 IIBD O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1cc(O)nc2ccc([N+](=O)[O-])cc12 524210791 XDGUMEQZOKAGMN-UHFFFAOYSA-N 441.293 4.304 5 20 IIBD Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 524621479 GFEKWHRQCFNEDO-MRXNPFEDSA-N 427.507 4.272 5 20 IIBD CC(C)[C@H](NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Cl)cc1 524881822 VJXCHADFRZRILL-FQEVSTJZSA-N 444.919 4.113 5 20 IIBD COc1ccc(Cl)cc1NC(=O)COc1c(C)cc(Br)cc1[N+](=O)[O-] 530766744 PAJFPRGUZBWWDT-UHFFFAOYSA-N 429.654 4.345 5 20 IIBD COCCC(=O)N1CCC(NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 531759546 YYTRJUKIRWUMPF-UHFFFAOYSA-N 447.919 4.158 5 20 IIBD C[C@]1(CN[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)CCCO1 532292669 TWQLUNBHAGHSNW-UYAOXDASSA-N 448.317 4.196 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1cccc(OCCN(C)C2CCOCC2)c1 532479234 CKBDYDANZJQUDU-LJQANCHMSA-N 427.545 4.244 5 20 IIBD C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 533522945 CFJKWUNLAZQIPL-MRXNPFEDSA-N 439.491 4.026 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CN3CCC(c4n[nH]c(-c5ccccc5)n4)CC3)co2)cc1 535553269 HKKQVAGAHMGBNH-UHFFFAOYSA-N 430.468 4.415 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C 535667098 ZLASPBUMNYVRPZ-MAUKXSAKSA-N 428.510 4.268 5 20 IIBD O=C(Nc1ccc2c(c1)CCO2)[C@@H]1CCCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 536349398 WCZWGIMQTHQABB-NRFANRHFSA-N 448.479 4.178 5 20 IIBD Cc1ccc(S(=O)(=O)CCCSc2nc3cc4ccccc4cc3c(=O)n2C)cc1 537047375 HSZCXKXEAUFPEH-UHFFFAOYSA-N 438.574 4.351 5 20 IIBD O=C(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)Nc1ccc(NC(=O)c2cccs2)cc1 538659353 IHMAXOSGWSTPPI-UHFFFAOYSA-N 447.476 4.411 5 20 IIBD Cc1nc(-c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3Sc3nc[nH]n3)c2)oc1C 540518014 QYZRFGWXAFRTBS-UHFFFAOYSA-N 436.453 4.388 5 20 IIBD COC(=O)[C@@H](NC(=O)c1cc(SC)ccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl 542280210 SXBIDADYVQBZPJ-HNNXBMFYSA-N 429.281 4.268 5 20 IIBD COC(=O)C1(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CCCCC1 544330734 XAEUYRHVUCDSHC-INIZCTEOSA-N 440.500 4.016 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(Cc3cccc(F)c3I)no2)s1 545142939 VCEVALLDQJFHRF-UHFFFAOYSA-N 431.186 4.041 5 20 IIBD COc1ccc(CSCc2nc(-c3ccnc(N4CCCC4)c3)no2)cc1[N+](=O)[O-] 545616372 XRTSTGBLYMCBHV-UHFFFAOYSA-N 427.486 4.082 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CCCN(c3cccc(Cl)c3C)CC2)cc([N+](=O)[O-])c1 551305333 HDAUZGHZODVIRC-UHFFFAOYSA-N 445.903 4.086 5 20 IIBD O=[N+]([O-])c1ccc2nc(NCC3(c4ccc(Br)s4)CCC3)nc(O)c2c1 553238495 LTZOQNWZTKDSMU-UHFFFAOYSA-N 435.303 4.601 5 20 IIBD CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 556418592 VMRSKWJDAFNUPB-UHFFFAOYSA-N 436.434 4.387 5 20 IIBD COc1ccccc1O[C@H]1CCCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 557944679 PCKYISBVJIRIAA-KRWDZBQOSA-N 433.892 4.052 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCc3nc(-c4ccccc4Cl)sc3C2)cc1[N+](=O)[O-] 565856143 ZPYZEGQOJAQXAN-UHFFFAOYSA-N 449.941 4.427 5 20 IIBD COc1cc(Cc2noc(/C=C/c3ccccc3OC(F)F)n2)c([N+](=O)[O-])c(OC)c1 579551697 LDDRVYKNLIFPIP-BQYQJAHWSA-N 433.367 4.358 5 20 IIBD CCOc1cc(NC(=O)N2CCCN3c4ccccc4C[C@@H]3C2)c([N+](=O)[O-])cc1OCC 581137676 AJOWEJDCOBRILP-QGZVFWFLSA-N 440.500 4.061 5 20 IIBD C[C@H](CCc1ccccc1[N+](=O)[O-])NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 582681153 KDCIHIHTSFGHFT-CYBMUJFWSA-N 430.448 4.128 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1 586866583 FYOKSGHFRFGSDS-AWEZNQCLSA-N 449.429 4.171 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CN[C@H]2CSCc3ccccc32)c1 589310670 ZHZDDRSEKMUQSS-INIZCTEOSA-N 426.279 4.277 5 20 IIBD COc1ccc([C@H](Cc2ccccc2)Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 589606242 YJRDNMFHZCFRBU-KRWDZBQOSA-N 432.523 4.464 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 603565797 RYXHDNOAAMUXFP-MRXNPFEDSA-N 438.267 4.154 5 20 IIBD C[C@@H](c1ccccc1)N1C[C@@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)CC1=O 603742005 KFTPTJZSCSOTOL-YJBOKZPZSA-N 449.429 4.095 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)cc1OC 604119846 PERFQAAYFSFCHY-UHFFFAOYSA-N 441.484 4.127 5 20 IIBD CC(C)Oc1ccc(CNC(=O)CCOc2ccccc2[N+](=O)[O-])c(C(F)(F)F)c1 608808991 DESBXRWBMIRANM-UHFFFAOYSA-N 426.391 4.486 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N(CCc1ccccc1)Cc1cccnc1 608880046 PVYDRJKESPXBCT-UHFFFAOYSA-N 444.535 4.478 5 20 IIBD O=C(NCCCN1CCCCC1=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 609300005 LARIEOAIEQEERZ-UHFFFAOYSA-N 431.876 4.173 5 20 IIBD CCc1cccc2c(CCNC(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)c[nH]c12 609530537 IJWDZONKEGAOLZ-UHFFFAOYSA-N 445.523 4.473 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 609709098 USQDUEXXMLHZHR-OAHLLOKOSA-N 433.338 4.380 5 20 IIBD CCCOc1ccc(O[C@H]2CCCC[C@@H]2NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)cc1 609726595 QWVPORIJRCTDPH-SFTDATJTSA-N 444.532 4.093 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCc1ccc(Br)cc1 609755894 WKKVIWPHJQICBB-NSHDSACASA-N 427.682 4.137 5 20 IIBD CC(=O)Nc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Nc2ccccc2)ccc1C 609875713 DVGUQKWOURBACE-UHFFFAOYSA-N 440.481 4.406 5 20 IIBD O=C(NCCc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1Br 610046160 GOUGQMCBBOIZGQ-UHFFFAOYSA-N 428.080 4.092 5 20 IIBD C[C@@H]1CCCN(Cc2csc(NC(=O)NCCCCc3ccc([N+](=O)[O-])cc3)n2)C1 610089045 CHZYFQQIXGBNSH-MRXNPFEDSA-N 431.562 4.428 5 20 IIBD Cc1cc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc(C(F)(F)F)c1 616958361 XHCZGNGELXVDMN-UHFFFAOYSA-N 437.403 4.454 5 20 IIBD COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)c2cccc(OC)c2[N+](=O)[O-])cc1 618094209 JMUJCXKTVFCUAF-UHFFFAOYSA-N 436.464 4.463 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1 619467406 FZWCUTCRUXBYET-UHFFFAOYSA-N 426.319 4.058 5 20 IIBD Cc1nc(C)c(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)s1 619826347 RJMDQBRPWRBNOO-UHFFFAOYSA-N 446.510 4.030 5 20 IIBD CN(Cc1ccccc1-c1ccccc1)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O 725781630 CNKCNADYAMASIZ-VWLOTQADSA-N 444.491 4.118 5 20 IIBD Cc1nc(C(=O)OCc2cc(F)ccc2[N+](=O)[O-])nn1-c1c(Cl)cccc1Cl 728238510 KSYVCMSKSPOVKK-UHFFFAOYSA-N 425.203 4.287 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C(=O)NC2CCCCCC2)C(C)C)cc1SC 728649542 MJRLOMPTYYQCCP-LJQANCHMSA-N 438.546 4.346 5 20 IIBD COC(=O)CCSCc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1 728879199 GJRTYFZLUPYKQO-UHFFFAOYSA-N 443.525 4.244 5 20 IIBD CSc1ccc2cc(COC(=O)COc3ccc(C=O)cc3[N+](=O)[O-])c(Cl)nc2c1 731733912 QUDDEHMDWALLIP-UHFFFAOYSA-N 446.868 4.453 5 20 IIBD CC[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccc(Cl)s1 733937176 OSPQEHXGRUTKQB-GXFFZTMASA-N 425.869 4.069 5 20 IIBD CC(C)[C@@H](OC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1CCCCC1 735148820 TUWHFBMSSOYQPO-LJQANCHMSA-N 426.897 4.034 5 20 IIBD CC(=O)Nc1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2Cc2ccccc2)ccc1C 736325570 NENAJYVRHVKSEL-UHFFFAOYSA-N 440.477 4.220 5 20 IIBD O=C(NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1cc2ccccc2c2cccnc12 740153022 IVMVCVHBRNWNHQ-HXUWFJFHSA-N 434.879 4.276 5 20 IIBD CS[C@@H](C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccccc1 740366124 YBSLEFHOZPFGET-MRXNPFEDSA-N 428.388 4.200 5 20 IIBD C[C@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 741816430 OWTVZHZEDRGDTD-INIZCTEOSA-N 445.431 4.185 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)NCCN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)c1 741885939 UYAIPQIBJYUTTL-GZTJUZNOSA-N 445.884 4.023 5 20 IIBD O=C(OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCSc2ccccc21 744116011 GNNKFMXYDPAJAJ-DOTOQJQBSA-N 426.494 4.022 5 20 IIBD Cc1ccccc1CN(C)C(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 744554694 TZJSADCFCLIXQI-GOSISDBHSA-N 439.512 4.097 5 20 IIBD CC(C)n1cc(Br)cc1C(=O)O[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 745463034 OOSLZZBXKHQFMK-SNVBAGLBSA-N 442.241 4.063 5 20 IIBD C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)N[C@H](C)c1ccc(F)cc1 745567760 SGZUNGISOYKINH-MNOVXSKESA-N 428.338 4.175 5 20 IIBD CN(CC(=O)OCc1ncc(-c2ccc(Br)cc2)o1)c1ccccc1[N+](=O)[O-] 745619532 ZMJMJPFHGWOODG-UHFFFAOYSA-N 446.257 4.192 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1CSc1nnc(N2CCOCC2)n1Cc1ccccc1 746389308 MXYNVEAWQVCAAK-UHFFFAOYSA-N 445.932 4.017 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1NNC(=S)NCc1ccc(Br)cc1 747645050 BLWHQPMKQFPBKW-UHFFFAOYSA-N 449.252 4.367 5 20 IIBD O=C(Cc1cc(Cl)ccc1Cl)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 748492153 XZWUTXMATIERHU-UHFFFAOYSA-N 431.659 4.071 5 20 IIBD C[C@H](OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1nc2ccccc2s1 749218288 MRQISOYBBFLOCC-KGLIPLIRSA-N 427.482 4.060 5 20 IIBD C[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)Oc1ccccc1F 749435852 JGGBWFADPHPKMO-VIFPVBQESA-N 431.645 4.347 5 20 IIBD CC(C)(C)c1cc[n+](/C(C(=S)NC[C@@H]2CCOC2)=C(/O)c2ccc([N+](=O)[O-])cc2)cc1 749592746 ZGPPZWKBAIEPIQ-INIZCTEOSA-O 442.561 4.017 5 20 IIBD C[C@@H](c1nnc(SC[C@@H](O)c2cccc([N+](=O)[O-])c2)n1-c1ccc(Cl)cc1)N(C)C 749637942 FWAYICJFXLGQIF-SCLBCKFNSA-N 447.948 4.277 5 20 IIBD C[C@H](OC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1Cl 750962131 BMGPCGDIRFBZKU-QMMMGPOBSA-N 445.628 4.334 5 20 IIBD O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(CNC(=O)c2cccs2)cc1 751649136 VWUDTDDJIOWEPB-UHFFFAOYSA-N 437.433 4.085 5 20 IIBD C[C@@H](C(=O)Oc1ccc(Cc2ccccc2)cc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 753433072 QDBUHSMQTZSNCW-MRXNPFEDSA-N 439.489 4.298 5 20 IIBD Cn1ccnc1[C@H](CCc1ccccc1)OC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 754737737 HJBZZVMSMSCHDV-NRFANRHFSA-N 431.452 4.045 5 20 IIBD Cc1c(C(=O)N(C)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cccc1-c1ccccn1 754841227 IUNWOCBYDDNWAE-UHFFFAOYSA-N 445.884 4.080 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccc(N2CCSCC2)cc1 755346549 RTSVJPKPGXNMIR-UHFFFAOYSA-N 436.331 4.092 5 20 IIBD CC(C)(C)OC(=O)Nc1ccccc1CC(=O)O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 756570346 BTJKSEAQRFBYEM-MSOLQXFVSA-N 444.488 4.408 5 20 IIBD Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)o1 756767493 IEYRXOFJJNFOCE-UHFFFAOYSA-N 445.391 4.447 5 20 IIBD CCCN1C(=O)CCc2cc(NC(=O)c3cccc([N+](=O)[O-])c3Br)ccc21 759023346 JWULSEHCYIMKQD-UHFFFAOYSA-N 432.274 4.299 5 20 IIBD CCC(=O)c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cc1 760502606 NZIKTWOEVAVYTD-UHFFFAOYSA-N 435.402 4.169 5 20 IIBD CC[C@@H](OC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccc(Br)cc1 761048950 VSGUOGSIBXUOEX-QGZVFWFLSA-N 431.246 4.246 5 20 IIBD CNC(=O)c1cc(Oc2cccc(OC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)c2C)ccn1 763054325 OGJBFBGVFOKETD-AWEZNQCLSA-N 435.436 4.159 5 20 IIBD O=C(COC(=O)c1ccc(C(F)(F)F)nc1Cl)Nc1ccc(Cl)cc1[N+](=O)[O-] 766127744 VFNHRQXDRNHFOX-UHFFFAOYSA-N 438.145 4.111 5 20 IIBD CCCCCOc1ccc(Br)cc1Cn1cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c1 768461176 BZSNZQLAPVBPLC-UHFFFAOYSA-N 440.250 4.045 5 20 IIBD CC[C@@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@H]1NC(=O)OC(C)(C)C 769486615 UYJDXNGPROXISO-OXQOHEQNSA-N 443.548 4.121 5 20 IIBD O=C(NC1CCC(O)(c2cccnc2)CC1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 770051765 UJUCDVIFWAFLDJ-UHFFFAOYSA-N 433.464 4.342 5 20 IIBD COc1cc(N2CCC(OC(=O)c3ncoc3-c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] 770874461 YVNQXXOVPZUVSB-UHFFFAOYSA-N 441.415 4.223 5 20 IIBD C[C@H]1COCCCN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 773143017 IFZPLYAMEQYUDD-IBGZPJMESA-N 437.540 4.305 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 775227698 JTRFHGVPMAGXDB-SJLPKXTDSA-N 434.537 4.303 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC(C(=O)C(F)(F)F)CC3)cc2[N+](=O)[O-])C1 775435880 ZKYRUCZVRAHCFH-OKILXGFUSA-N 441.450 4.061 5 20 IIBD CCC(CC)n1nc(C)cc1C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 775949781 PEORVNWHAFZOJV-UHFFFAOYSA-N 442.394 4.275 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(NC[C@@](O)(c3ccc(Cl)cc3)C(F)(F)F)CC2)cc1 777121742 FGMWHBGAVMCJIT-LJQANCHMSA-N 443.853 4.257 5 20 IIBD O=C(Nc1cncc(Cl)c1Cl)c1cc([N+](=O)[O-])ccc1I 778078726 MLOXTCTVGGVYOK-UHFFFAOYSA-N 438.008 4.154 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21 778261187 GQROOZBNXPCMOV-GOSISDBHSA-N 443.504 4.031 5 20 IIBD CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)OCc1ccc([N+](=O)[O-])cc1Cl 778335564 XHZHBBUOLCVKDE-SFHVURJKSA-N 436.917 4.152 5 20 IIBD Cn1cc([C@@H](CO)NC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)cn1 778404720 UXBUPEIRMAFNSV-JOCHJYFZSA-N 425.488 4.130 5 20 IIBD COc1cc(COC(=O)c2csc(C(C)(C)C)n2)c([N+](=O)[O-])cc1OCC(F)F 780061987 BXXVKGAXEBLWGN-UHFFFAOYSA-N 430.429 4.358 5 20 IIBD C[C@H]1[C@H](C)N(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCN1C(=O)OC(C)(C)C 780998769 FPODMBJYCVUHEX-HOTGVXAUSA-N 435.524 4.151 5 20 IIBD CC[C@H]1CCCCN1C(=O)[C@@H](C)OC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781256946 HXDRUBCABQNLLD-CJNGLKHVSA-N 442.462 4.296 5 20 IIBD O=C(OCc1noc(-c2ccsc2)n1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781257859 VUPMRJQGDRAXLU-UHFFFAOYSA-N 439.399 4.428 5 20 IIBD CC(C)CN(CC(C)C)C(=O)COC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781258593 VEDGNAVNKMEBOV-UHFFFAOYSA-N 444.478 4.257 5 20 IIBD COc1ccc(C[C@H](C)C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC 781313642 CNAVJKISXDFNDM-UONOGXRCSA-N 441.440 4.145 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(OCc2ccc(C)cc2)c1 784789486 HNJMMBOWVPRPBU-UHFFFAOYSA-N 435.436 4.068 5 20 IIBD CC(C)(C)OC(=O)NC1(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCCC1 787603512 IHPRFNJSWLUORB-UHFFFAOYSA-N 431.411 4.067 5 20 IIBD Cc1nc2cc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)ccc2n1Cc1ccsc1 788208456 CLELYFBRJOVNPI-UHFFFAOYSA-N 435.461 4.402 5 20 IIBD CCc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)cnn1C(CC)CC 790423441 ZVXMQDZYTNTCAZ-UHFFFAOYSA-N 445.339 4.278 5 20 IIBD Cc1nc([C@@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c2ccc(Cl)cc2)no1 790912062 MQVBKJWGKOJDJD-KRWDZBQOSA-N 439.230 4.180 5 20 IIBD CCc1c(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cnn1-c1ccccc1Cl 791580031 JODPKMXSKDKTKX-UHFFFAOYSA-N 443.847 4.476 5 20 IIBD CCCc1noc2nc(C3CC3)cc(C(=O)OCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c12 791729284 OWEYAYSSFUFYKZ-UHFFFAOYSA-N 426.385 4.226 5 20 IIBD Cc1c([C@@H](C)OC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)oc2ccccc12 792552701 AMSZIKRIJCBJNJ-OAHLLOKOSA-N 433.420 4.422 5 20 IIBD CN(Cc1cc(Br)ccc1Cl)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 794644769 JNSFFABZUNROSQ-UHFFFAOYSA-N 426.654 4.008 5 20 IIBD CCCCCCNC(=O)[C@@H]1CCCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 798284898 NMDJTPTUZQOTNZ-LJQANCHMSA-N 438.528 4.206 5 20 IIBD CCCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C 799548092 GBGRXJRNWZPKDY-UHFFFAOYSA-N 432.907 4.010 5 20 IIBD Cc1ccc(-c2nc(=S)n(CNNc3cc([N+](=O)[O-])ccc3Br)[nH]2)cc1 802740531 FJXJXUGRLDCLRY-UHFFFAOYSA-N 435.307 4.161 5 20 IIBD COc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c(C)c1OC 807857898 LDGLNZGNPRVSCP-INIZCTEOSA-N 427.501 4.402 5 20 IIBD CC(C)(C)n1cnc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2OCc2ccccc2)n1 812833833 AGEKMOPWXIIGTQ-UHFFFAOYSA-N 429.864 4.426 5 20 IIBD C[C@@H](CCOCc1ccccc1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 813771694 YZFRJPODLZHLSG-LBPRGKRZSA-N 425.254 4.222 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc(Cl)ccc1Br 913344411 SNYAZSAMNPLKES-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)/C=C/c2ccccc2OC(F)(F)F)cccc1[N+](=O)[O-] 914942426 SWJOMPPNKPKQJY-OCHBPSSRSA-N 438.358 4.385 5 20 IIBD CC[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1OCC(=O)N1CCCC1 917743441 ZFQCARRPGSCJMU-SFHVURJKSA-N 445.903 4.131 5 20 IIBD Cc1c(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 918391394 GBDYVFFUIBVKPE-OAQYLSRUSA-N 426.473 4.014 5 20 IIBD C[C@@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 919212545 UIJDCCJNTXOENX-SECBINFHSA-N 433.760 4.087 5 20 IIBD COc1ccc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1 919686113 AXTKNXYIXYFVPK-ZDUSSCGKSA-N 437.412 4.332 5 20 IIBD CCC(C)(C)NC(=O)[C@@H](C)OC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 920543627 FRKKJMNUYVFIKO-LSDHHAIUSA-N 428.489 4.013 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@H](C)COc2ccccc2F)cc1[N+](=O)[O-])c1ccccn1 1115885711 YRGVVQLNRNGRCU-CVEARBPZSA-N 438.459 4.499 5 20 IIBD COc1ccc([C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccc(OC)cc2OC)cc1 1318671353 ORGSOTJOAIXXPL-XMMPIXPASA-N 436.464 4.069 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(C[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1)C2 1318912625 LFDLGYXBHWUVPS-QHCPKHFHSA-N 440.446 4.356 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 1321613630 FDOGRBVIYXRPEX-QGZVFWFLSA-N 428.247 4.296 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1 1332332273 KKUINAOJVVOZMX-UHFFFAOYSA-N 441.296 4.316 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]3F)cc2)CCC1 1786587917 MVDAQJMFFMWGQE-SJORKVTESA-N 443.500 4.179 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3cscn3)cc2)CCC1)c1cc(F)cc([N+](=O)[O-])c1 1787420327 WVTWLEKIVMKUIP-UHFFFAOYSA-N 440.456 4.252 5 20 IIBD CCC1(C(=O)N2CCC3(CCCN(C(=O)/C=C/c4ccc([N+](=O)[O-])o4)C3)CC2)CCC1 1805684087 DIIDBOKAYLEDQY-FNORWQNLSA-N 429.517 4.013 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccccc2)[nH]n1)c1ccc([N+](=O)[O-])o1 1814313358 KLCJJMOOBLNMBF-LZLYRXPVSA-N 449.467 4.021 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@]2(C)C[C@@H]2C)[nH]n1 1821286668 DLZBGZNDXMPJHL-KKYRWEBSSA-N 443.479 4.117 5 20 IIBD O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823618075 PHNOHOVDCFHYHI-GSEOLPGOSA-N 443.544 4.247 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CC=CCC2)CC1 1824100517 PPAMOLLBDIAEPU-HKUNNYQMSA-N 441.528 4.177 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCCCN2C(=O)CC2CCCC2)CC1 1826257909 FBPYVFFSEZXTDH-HSZRJFAPSA-N 441.572 4.337 5 20 IIBD CC(C)/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 1832512430 BMMMHNLUBDBLJO-OUZREKFBSA-N 445.535 4.108 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCC([C@H]2CCCCN2C(=O)CC2CCC2)CC1 1832830948 LTDPXUOBMIORFS-FHVRUZERSA-N 429.517 4.011 5 20 IIBD O=C(/C=C/c1cc2ccccc2o1)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)C1 1845314933 UWNSVTYTTZAZJP-VQHVLOKHSA-N 449.438 4.011 5 20 IIBD CCCOc1c(Cl)cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC 12252770 FJKMOVPIMURWQG-GFCCVEGCSA-N 436.848 4.230 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(-c2ccccc2)cc1 15278017 SGBZPNVYNNOBKT-UHFFFAOYSA-N 446.459 4.138 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)CCOc1ccc(Br)cc1 15448731 LSTSDQFDOMZWOK-ZDUSSCGKSA-N 447.289 4.479 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3c[nH]c4ccccc34)o2)c([N+](=O)[O-])c1 16753213 AXHMRKOOOZYAIH-LLVKDONJSA-N 439.453 4.254 5 20 IIBD CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 21930756 OHSITADRFHQQQK-UHFFFAOYSA-N 428.448 4.425 5 20 IIBD Cc1cc(C)c(NC(=O)CN(C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)c1 23830481 XGLBNQUTEIVMFJ-OAHLLOKOSA-N 432.908 4.071 5 20 IIBD O=C(COC(=O)CCc1ccccc1Cl)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 24772663 IVFQLYXPTXUDJT-UHFFFAOYSA-N 430.766 4.382 5 20 IIBD CN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 27409319 WCMZLALIEIXVFL-UHFFFAOYSA-N 433.464 4.250 5 20 IIBD COC(=O)[C@H](C)NC(=O)c1ccc(N[C@H](C)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 29070403 NLGFJYGDTIZARB-NEPJUHHUSA-N 439.390 4.078 5 20 IIBD O=C(c1csc([N+](=O)[O-])c1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 46915775 PUYJBNHJYRNONJ-UHFFFAOYSA-N 443.475 4.482 5 20 IIBD C[C@@](CO)(NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 237655665 UUOVCGOBGYMVLK-VWLOTQADSA-N 428.492 4.445 5 20 IIBD O=c1c(Cl)c(N2CC[C@@H](Oc3ccccc3Cl)C2)cnn1-c1ccc([N+](=O)[O-])cc1 301780303 RMLSHCPTSPYINL-OAHLLOKOSA-N 447.278 4.105 5 20 IIBD CC(C)(CNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1cccc(Cl)c1 303020629 UGYSSOUHMJXJNT-UHFFFAOYSA-N 431.876 4.030 5 20 IIBD Cc1cccc(Oc2ccc(NC(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)cn2)c1C 303675601 ZRELFPSEWUHNOA-UHFFFAOYSA-N 430.424 4.232 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)N2CCCc3cc(OC(F)F)ccc32)cc1[N+](=O)[O-] 409869621 JNOMAEVQANAHQF-UHFFFAOYSA-N 432.832 4.300 5 20 IIBD COc1ccc(CSCc2nc(-c3c(C)nc4sc(C)cn34)no2)cc1[N+](=O)[O-] 426624531 VWEHMDNCXKYXPS-UHFFFAOYSA-N 431.499 4.413 5 20 IIBD Cc1ccc(-c2nc(CN[C@H](Cc3c[nH]c4ccc([N+](=O)[O-])cc34)C(=O)O)cs2)cc1 426744201 WCYFXUIRNRODRK-HXUWFJFHSA-N 436.493 4.294 5 20 IIBD COCCN(Cc1cc(Br)cs1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 427805131 HUAUPQSZGHEWJV-UHFFFAOYSA-N 438.303 4.189 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H](c1ccc(Cl)cc1)c1cnccn1 429219842 YVJRKRPAEFLHIB-LJQANCHMSA-N 427.848 4.300 5 20 IIBD CC(C)OC[C@@H](CO)N(C)C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 432616635 MFVSPLPTIKQVOU-OAHLLOKOSA-N 438.933 4.257 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)c1cccnc1 435527171 KVBZHANOXYVSFJ-GFCCVEGCSA-N 428.495 4.018 5 20 IIBD O=C(Nc1nnc(C(F)(F)F)s1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436129088 HEHIIVSCOKBTKO-UHFFFAOYSA-N 426.326 4.082 5 20 IIBD CN(C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1nc2cccc(Cl)c2s1 436392451 TYKCDIPIBRIMSU-UHFFFAOYSA-N 446.872 4.209 5 20 IIBD O=C(N[C@H](CC(F)(F)F)c1ccc(Br)cc1)c1ccc(O)c([N+](=O)[O-])c1 436991924 VGBZPDYQSQUYKV-GFCCVEGCSA-N 433.180 4.486 5 20 IIBD CC(C)OC(=O)[C@@H](C)CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 439650933 RDDTWHBANSJLLW-IFXJQAMLSA-N 433.892 4.105 5 20 IIBD O=C(Nc1ccc(N2CCOCC2)nc1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 440406194 GDUIOMIDHAGCKM-UHFFFAOYSA-N 436.493 4.230 5 20 IIBD COc1cc(C(=O)N(Cc2ccc(F)cc2)c2cncc(C)c2)cc([N+](=O)[O-])c1OC 441407787 GKCMRRHVZPDEED-UHFFFAOYSA-N 425.416 4.302 5 20 IIBD O=C(NCCc1nc(-c2cccc(Cl)c2)no1)c1ccc2[nH]c3ccccc3c(=O)c2c1 444035640 XNUVHJPTVSQVGI-UHFFFAOYSA-N 444.878 4.357 5 20 IIBD O=C(NCCCOCCOCc1ccccc1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444311319 RSHBVLHFFYTLAQ-UHFFFAOYSA-N 448.494 4.174 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CCNC(=O)Nc1ccc(Br)cc1 444730358 ISWIZGSMZXAHIA-UHFFFAOYSA-N 435.278 4.124 5 20 IIBD COc1ccc(NC(=O)c2cnc(O)c([N+](=O)[O-])c2)cc1OCc1ccc2ccccc2n1 445198407 VMRQXSXYTWXVMI-UHFFFAOYSA-N 446.419 4.084 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O 446440142 ZUMOPWRQUXAYTJ-CQSZACIVSA-N 427.457 4.063 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCc1ccnc(OCc2ccccc2)c1 447810904 BNDNAOAIERARCW-UHFFFAOYSA-N 434.496 4.013 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC(Cc1ccccc1)Cc1ccccc1 463627330 VZZJHFHSAITASP-UHFFFAOYSA-N 431.492 4.060 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCc1ccc(COCc2ccccc2)cc1 464009511 VQXXZPNIQFJWNY-UHFFFAOYSA-N 447.491 4.183 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCN(C)c3ccc(F)cc32)cc1[N+](=O)[O-])c1ccccn1 464296790 OMXRMBMWUNQYNH-HNNXBMFYSA-N 435.459 4.399 5 20 IIBD O=C(N[C@H]1CCOc2c(Cl)cccc21)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465766802 XWAACTFSWSQGJH-IBGZPJMESA-N 431.876 4.325 5 20 IIBD C[C@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(F)c2)no1 465978543 GOIGVGSMWLDKOZ-AWEZNQCLSA-N 427.436 4.167 5 20 IIBD COc1cc(N(C)Cc2cccc(Br)c2OCC(C)(C)O)ccc1[N+](=O)[O-] 466421652 NHQDRQMVIIVEEP-UHFFFAOYSA-N 439.306 4.152 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C 466505949 TUKPFQOXESHCSL-FRIJYXMCSA-N 443.544 4.289 5 20 IIBD CC[C@H]1Oc2cc([C@@H](C)Nc3ccc(C(=O)NC(C)C)cc3[N+](=O)[O-])ccc2NC1=O 467008512 YEFZOLQDVOLPQX-BFUOFWGJSA-N 426.473 4.016 5 20 IIBD Cc1c(C(=O)N(Cc2cccc(Br)c2)C2CCOCC2)cccc1[N+](=O)[O-] 468149464 HRMVZIMNNRKTDK-UHFFFAOYSA-N 433.302 4.487 5 20 IIBD Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)c1cc([N+](=O)[O-])cnc1N 468644610 DHKXQVHFYAFSLL-UHFFFAOYSA-N 425.832 4.038 5 20 IIBD Cc1ccc(S(=O)(=O)C[C@H](C)Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)cc1 475737909 NGYAPMTZIVDJRT-KRWDZBQOSA-N 441.509 4.152 5 20 IIBD COc1cc(CNc2nnc(Cc3ccccc3)o2)c([N+](=O)[O-])cc1OCC(F)(F)F 479762340 BCDKGECSSGFTHD-UHFFFAOYSA-N 438.362 4.130 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O 479776345 ZANFIZMHLVBLJN-CQSZACIVSA-N 442.781 4.194 5 20 IIBD COc1cc(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)cc([N+](=O)[O-])c1C 479819891 RXOAQEJEWDMREF-HNNXBMFYSA-N 425.485 4.487 5 20 IIBD O=C1CCc2cc(NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)ccc2N1CC1CC1 482586873 ZWWLIIQCVJLAJW-UHFFFAOYSA-N 434.496 4.481 5 20 IIBD CCc1c(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cnn1-c1cccc(Cl)c1 482713097 DLFNVPLGFFHCHD-UHFFFAOYSA-N 436.859 4.434 5 20 IIBD O=C(Nc1ccc(OC(F)(F)F)cc1Br)c1cc2c(c([N+](=O)[O-])c1)OCO2 487361042 VBDRKJRQKDJYPO-UHFFFAOYSA-N 449.135 4.237 5 20 IIBD O=C(CNc1cc(Cl)ccc1OC[C@@H]1CCCCO1)N1CCc2cc([N+](=O)[O-])ccc21 488156610 BKJZQYXPYDXVCS-SFHVURJKSA-N 445.903 4.197 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Br)ccc1F 488376423 NDSUMBWQDSRXRK-UHFFFAOYSA-N 429.267 4.487 5 20 IIBD C[C@@H](Sc1nnc(Cc2c(F)cccc2Cl)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 488847971 CPXXMWFXNHFOPK-SNVBAGLBSA-N 436.852 4.480 5 20 IIBD O=C(Nc1ccc(F)c(N2CCCNC2=O)c1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 489357708 VZZVJMCQCNMOMN-UHFFFAOYSA-N 448.429 4.132 5 20 IIBD CCn1c(S[C@H](C)C(=O)N2CCc3sccc3C2)nnc1-c1ccc([N+](=O)[O-])cc1 489463579 MZFJZAWTKUXBAA-CYBMUJFWSA-N 443.554 4.000 5 20 IIBD Cc1nccn1CCNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 498173915 PHGVUPBUUKLZML-UHFFFAOYSA-N 439.522 4.291 5 20 IIBD CCOc1cc(C(=O)Nc2cc(N3CCCC3=O)ccc2Cl)c([N+](=O)[O-])cc1OC 498291554 HVRIWYBGDKRYLG-UHFFFAOYSA-N 433.848 4.035 5 20 IIBD Cc1ccc(C[C@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 499240106 TZBHNZNVKIOSGR-GGAORHGYSA-N 435.524 4.050 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(F)c(F)ccc2s1 500615802 GTDSTFOTWWYYGO-UHFFFAOYSA-N 425.438 4.474 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(S(=O)(=O)N(C)C2CC2)cc1 503153688 TWMPPNLTOCCQGF-UHFFFAOYSA-N 449.554 4.132 5 20 IIBD CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(SC)c([N+](=O)[O-])c1 503449134 BKDPPYBBRMHEKS-SFHVURJKSA-N 429.542 4.149 5 20 IIBD CC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 504813095 KEIYWQRDUQQWCC-UHFFFAOYSA-N 442.472 4.347 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc3cccc(Cl)c3n2)ccc1[N+](=O)[O-] 505429245 QSBPAKNFFYTULL-SFHVURJKSA-N 438.871 4.348 5 20 IIBD COc1ccc([C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])c2ccccc2OC)cc1 506257212 XUJOEFFRGUVYKF-QHCPKHFHSA-N 435.480 4.243 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(C(=O)Nc2cccc(F)c2)CC1 507289630 BBIUOTICEAZKCD-CQSZACIVSA-N 439.447 4.196 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N1CCC[C@H]1c1ccsc1 508927710 NXVNNXVALSMKQH-AWEZNQCLSA-N 428.251 4.238 5 20 IIBD COc1cc(C(=O)N[C@@H]2CCc3cc(C)ccc32)c([N+](=O)[O-])cc1OCc1cscn1 510133076 MWIGCOATUBPLMA-GOSISDBHSA-N 439.493 4.365 5 20 IIBD O=C(CCCc1ccccc1)N[C@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 510613394 GBRSULDWSWNEHY-NRFANRHFSA-N 448.523 4.353 5 20 IIBD Cc1nn(-c2ccccc2)cc1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 511518279 SZVNUKFLXUANMD-UHFFFAOYSA-N 430.468 4.203 5 20 IIBD O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 513566245 OIEVAKIVPPFLKM-UHFFFAOYSA-N 431.370 4.229 5 20 IIBD Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)cc2)cc1 515447736 DHMJTKAKWGOKTC-QGZVFWFLSA-N 438.505 4.368 5 20 IIBD O=C(COc1ccc(-c2ccccc2)cc1[N+](=O)[O-])NCCc1cnn(-c2ccccc2)c1 516341649 PDLBLAUAWPQHSH-UHFFFAOYSA-N 442.475 4.185 5 20 IIBD CCOC(=O)c1c(NC(=O)[C@H](C)Sc2ncccc2[N+](=O)[O-])sc2c1CCCC2 516715153 RGADECXKUZLGPQ-NSHDSACASA-N 435.527 4.226 5 20 IIBD COc1ccc([C@H](C)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1Br 517912860 NRKLRJMJMKLHAK-VIFPVBQESA-N 449.710 4.059 5 20 IIBD O=C(Nc1cccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1)c1cccs1 518661035 RLQIDUHHIHSOJF-UHFFFAOYSA-N 437.886 4.363 5 20 IIBD O=[N+]([O-])c1ccc(NCc2ccccc2C(F)(F)F)c(S(=O)(=O)N2CCCC2)c1 519888031 PPKMOMLNUAACKA-UHFFFAOYSA-N 429.420 4.010 5 20 IIBD Cc1cc(F)ccc1N1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 523491357 KBASXPOQJHRQFO-AWEZNQCLSA-N 436.281 4.204 5 20 IIBD CNc1ccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1[N+](=O)[O-] 523975164 FKLMTYLBBIKHPM-HNNXBMFYSA-N 441.875 4.360 5 20 IIBD COc1cc(C(=O)Nc2cc(C3CCCC3)[nH]n2)c([N+](=O)[O-])cc1OCc1cscn1 524578847 BBACDPVIUGLZIU-UHFFFAOYSA-N 443.485 4.272 5 20 IIBD Cn1cncc1CCC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 526006350 RADZPMMKZAUUCU-UHFFFAOYSA-N 432.839 4.162 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 534010632 SVLROFGFSVVRBX-UHFFFAOYSA-N 447.476 4.266 5 20 IIBD Cc1ccc(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)cc1-c1ncco1 535028733 MZMJJRLCHFBNGU-UHFFFAOYSA-N 449.204 4.415 5 20 IIBD CCCc1ccc(-c2cc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)n(CCO)n2)cc1 535473465 FAVGFALDDHXOLQ-UHFFFAOYSA-N 447.495 4.066 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(Cl)cc1C(=O)N1CCCC1 536201900 WXQKXAMFOMFNCK-UHFFFAOYSA-N 426.860 4.147 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cccc(C(=O)NCc2ccccc2)c1 536478717 RRWLMMCTTCSRGC-UHFFFAOYSA-N 428.448 4.187 5 20 IIBD C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1c(F)cccc1Cl 537177907 CWGUAGSHASHUQH-SECBINFHSA-N 430.661 4.439 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ccc(COc2ccccc2)cc1 538023384 BRKTTYVQSSJEBL-UHFFFAOYSA-N 439.855 4.196 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 538244970 XYDKDKPGKNMLDA-IEBWSBKVSA-N 436.917 4.247 5 20 IIBD O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 538870516 KQOBNNWXUNCCDL-QGZVFWFLSA-N 431.448 4.202 5 20 IIBD O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CCN(C/C=C\c2ccccc2)CC1 539423407 MIXPCIPQDQZFMY-YFHOEESVSA-N 428.492 4.128 5 20 IIBD Cn1cnnc1[C@@H]1CCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 539822086 IKQCXRPOZYHIMN-INIZCTEOSA-N 432.278 4.083 5 20 IIBD CC1CCN(c2ccc(C(=O)NCc3cn(C)nc3-c3ccccc3)cc2[N+](=O)[O-])CC1 541999175 QJCBEQGGHLTVCS-UHFFFAOYSA-N 433.512 4.162 5 20 IIBD CCc1cc(N2CCC(N[C@@H](c3ccc([N+](=O)[O-])cc3)c3ccc(CC)o3)CC2)ncn1 542474074 ZXRGILNBKWVAEQ-DEOSSOPVSA-N 435.528 4.451 5 20 IIBD CCc1ccc([C@H](COC)N[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)o1 543484993 IKUWZFLEHVYNCN-DYVFJYSZSA-N 444.513 4.178 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 544621793 LCKQAYFFSQLJEC-NSHDSACASA-N 428.342 4.033 5 20 IIBD Cc1nnc([C@@H](C)N[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)s1 546756117 NCUUOPCJCKQSPS-DIFFPNOSSA-N 431.905 4.439 5 20 IIBD O=c1c2ccccc2n(Cc2nc(Cc3ccc(-n4cccn4)cc3)no2)c2ccccc12 547042863 BFYRXEMKHNXZHG-UHFFFAOYSA-N 433.471 4.363 5 20 IIBD CC1CCN(c2ccc(C(=O)N3[C@H]4C=C(c5ccnn5C)C[C@H]3CC4)cc2[N+](=O)[O-])CC1 549335738 PGWOCMFNUPNVRN-WOJBJXKFSA-N 435.528 4.025 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)cc1 554720339 NWCDTXCPLWBPLT-QFIPXVFZSA-N 449.532 4.272 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2c2nc(-c3ccc(OCC4CC4)nc3)no2)ccc1[N+](=O)[O-] 557515154 RIBWKXOUAQFZEL-LJQANCHMSA-N 449.467 4.114 5 20 IIBD COc1ccccc1O[C@@H]1CCCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 557944680 PCKYISBVJIRIAA-QGZVFWFLSA-N 433.892 4.052 5 20 IIBD CN(Cc1ccc(Cl)c(F)c1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 559175167 HNNAUPBTUAVELN-HNNXBMFYSA-N 445.882 4.319 5 20 IIBD COc1ccc(-c2cnc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])n2C)cc1 564128326 BFDVABDFUOMOFM-UHFFFAOYSA-N 431.246 4.019 5 20 IIBD O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CC[C@H](C(F)(F)F)[C@@H](CO)C1 565485033 NWAMYUMRLTYIAH-KDOFPFPSSA-N 440.443 4.379 5 20 IIBD Cc1cc(OCC(=O)Nc2ccc3c(c2)N(C(=O)Cc2ccccc2)CC3)ccc1[N+](=O)[O-] 569042408 ZBWOIMZYOZOGLL-UHFFFAOYSA-N 445.475 4.053 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccccc1COCc1ccccc1 576812592 RHXHZCHKTHXDBN-UHFFFAOYSA-N 447.491 4.129 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 578094435 WOJYPCREAZEYLU-CQSZACIVSA-N 447.293 4.274 5 20 IIBD COCCCOc1ccccc1NCc1cc(I)cc([N+](=O)[O-])c1 578581661 AEMVNSGTDAPJOI-UHFFFAOYSA-N 442.253 4.227 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)n2ccc(C(F)(F)F)cc2=O)c([N+](=O)[O-])c1 588831309 DNAZOJSJVJNUTH-LJQANCHMSA-N 431.370 4.312 5 20 IIBD Cn1cc([C@@H]2C[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3SC3CCCC3)CCO2)cn1 590402197 BVXNYKHORQDOEQ-KXBFYZLASA-N 430.530 4.013 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC[C@@H]3CN3CCCCC3)cc2[N+](=O)[O-])C1 609024106 KJWWJIDRPCBWTC-SVFBPWRDSA-N 428.577 4.168 5 20 IIBD O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609546651 IFLTYGBPDNDYCR-FQEVSTJZSA-N 440.887 4.069 5 20 IIBD O=C(Nc1ccnn1Cc1ccc(Br)cc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 609600029 LUZSAJYCUHGDIN-UHFFFAOYSA-N 440.257 4.336 5 20 IIBD NC(=O)c1ccc(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)s1 609791490 FBGJXEPKEDJYHR-UHFFFAOYSA-N 449.847 4.270 5 20 IIBD CC(C)(C(=O)Nc1n[nH]c(-c2ccccc2Br)n1)c1ccc([N+](=O)[O-])cc1 610038227 WRNSTQKDVAKNFN-UHFFFAOYSA-N 430.262 4.059 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3cnn(-c4ccccn4)c3)cc2[N+](=O)[O-])n1 610055189 IZVXJCIAQKMUQK-UHFFFAOYSA-N 438.494 4.344 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1)c1nn(-c2cccc(Br)c2)c2c1CCC2 610168491 CKHGQZJDQNANJD-UHFFFAOYSA-N 427.258 4.284 5 20 IIBD CCO[C@@H]1C[C@H](N(C)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C12CCCCC2 610191925 LHBVSZYIDMMQMJ-FCHUYYIVSA-N 429.561 4.398 5 20 IIBD O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1cc2cccc(F)c2o1 610220293 VOUYRLRMSMWRDF-UHFFFAOYSA-N 447.425 4.022 5 20 IIBD CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 610641393 GSCONSZPRKGQSP-UWJYYQICSA-N 430.549 4.177 5 20 IIBD COc1cc(CN2CC(c3nc4ccccc4[nH]3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F 611273872 VXFKYWQCXVESBE-UHFFFAOYSA-N 436.390 4.020 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([C@H]2CCCCCN2C(C)=O)CC1 613182227 RFCXTLWXWHAIOQ-NZQKXSOJSA-N 429.561 4.193 5 20 IIBD COc1cc(C(=O)Nc2ccnc(OC(C)C)c2)c([N+](=O)[O-])cc1OCc1cscn1 614591560 IXKDETRHYVQGBH-UHFFFAOYSA-N 444.469 4.073 5 20 IIBD COc1cc(CN2CCC(c3ccccc3C(=O)O)CC2)c([N+](=O)[O-])cc1OC(F)F 615165616 XLLKBHQJLDGFPT-UHFFFAOYSA-N 436.411 4.283 5 20 IIBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccc(COc2ccc(F)cc2)o1 619213929 YUKTYRJNOMMDNJ-UHFFFAOYSA-N 428.372 4.320 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F 727710044 FZEULJZYENHKLW-HNNXBMFYSA-N 439.802 4.093 5 20 IIBD COc1ccccc1SC[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 728892914 BCUFYXNQKJMOQS-INIZCTEOSA-N 429.542 4.362 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 728947944 HDGMUDARYDDBEK-MRXNPFEDSA-N 441.484 4.024 5 20 IIBD C[C@H](OC(=O)c1ccccc1OCc1cccs1)C(=O)Nc1ccccc1[N+](=O)[O-] 730618252 PAQAZCYGBNKTPZ-AWEZNQCLSA-N 426.450 4.419 5 20 IIBD CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)OCCOc1ccc([N+](=O)[O-])cc1)O[C@H](C)C2 730657133 VLWSVVGNZRVXCD-WNYOCNMUSA-N 427.453 4.043 5 20 IIBD CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2cscn2)NC(=O)N1Cc1ccccc1 731422237 ZEFVEMCITNSXKL-FQEVSTJZSA-N 449.492 4.231 5 20 IIBD C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 731511651 NUUXKVGUXBWILP-BDJLRTHQSA-N 439.251 4.018 5 20 IIBD Cc1cc(COC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c2ccccc2n1 735889433 HHFHVQGIPQQQTM-JOCHJYFZSA-N 433.464 4.108 5 20 IIBD O=C1CCc2cc(OC(=O)c3ccn(-c4c(Cl)cc([N+](=O)[O-])cc4Cl)n3)ccc2N1 735996061 BXZGEUDXCYQEDO-UHFFFAOYSA-N 447.234 4.191 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 736211492 KOELOVAXFXYFLO-QFIPXVFZSA-N 431.920 4.413 5 20 IIBD C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 738813253 PMBVLVDXYPZWNQ-LLVKDONJSA-N 428.338 4.113 5 20 IIBD COC[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)C1 739757750 UQVQVFVHHMKLPB-NRFANRHFSA-N 437.540 4.162 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@@](C)(O)c2cccs2)cc1 740162909 CVALIYKPSNSOPK-OAQYLSRUSA-N 428.466 4.095 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)c1ccc(OC(F)F)cc1 740421175 CTEWRRHDOUEOIW-VIFPVBQESA-N 444.184 4.387 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)no1)c1ccc([N+](=O)[O-])cc1N1CCOC1=O 742400669 IIPUYWVTGAHWKC-UHFFFAOYSA-N 440.431 4.415 5 20 IIBD COc1ccc(OC)c(CN(CCO)c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])c1 742417949 HRCVFEXXJFSNPL-UHFFFAOYSA-N 434.798 4.283 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 742495343 CLYUUKZIDNFUBM-GOSISDBHSA-N 442.516 4.328 5 20 IIBD Cc1ccncc1C(=O)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 742702246 GPFJFWLDLFTSTI-LJQANCHMSA-N 425.828 4.488 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[C@H](C)Oc1ccc(F)c(F)c1 743607650 HWFLZGNUNJJELT-ZDUSSCGKSA-N 446.410 4.128 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3cccc(C)c3[N+](=O)[O-])CC2)ccc1[N+](=O)[O-] 744204599 RWHGUIJEJWHUIH-UHFFFAOYSA-N 429.429 4.036 5 20 IIBD Cc1c(C(=O)Nc2c(F)cc(Br)cc2F)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 744367804 PHJKDXXXXVTHJN-UHFFFAOYSA-N 430.161 4.413 5 20 IIBD CCCc1ncc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)s1 745266244 VNGPQIZCDYOZTL-SECBINFHSA-N 431.392 4.207 5 20 IIBD O=C([C@@H]1CC(=O)N(c2ccccc2F)C1)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 745344948 QPFHDKPBMMYKEP-CQSZACIVSA-N 431.851 4.183 5 20 IIBD C[C@H](OC(=O)[C@@H]1C[C@]12CCc1ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 745723080 ZQGQCOODNDWABF-LJOBPSPCSA-N 448.397 4.388 5 20 IIBD COc1cccc(-n2ccnc2SCC(=O)OCc2cc(Cl)ccc2[N+](=O)[O-])c1 746060163 SZMJMVZCIXFLJV-UHFFFAOYSA-N 433.873 4.278 5 20 IIBD O=C(NCCCOC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)c([N+](=O)[O-])c1 749153445 OGZUCBKBOOOLEN-UHFFFAOYSA-N 431.920 4.049 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCc2sc(Br)cc2C1 749465855 GRYNWUCBLSEDOT-SECBINFHSA-N 444.738 4.458 5 20 IIBD O=[N+]([O-])c1cccc([C@@H](O)CNCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1 749664142 HXMGVBXGQOZNMA-QHCPKHFHSA-N 432.455 4.410 5 20 IIBD Cc1c(Cl)cccc1NC(=O)COC(=O)c1ccc(Br)cc1[N+](=O)[O-] 750964673 LLSVTLJAERZCSR-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])c(Br)cc2F)c(F)c1 751693192 UVXFAWCYJLESDL-SECBINFHSA-N 443.200 4.128 5 20 IIBD CC1CCN(C[C@@H]2CCCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)C2)CC1 755035943 PXHLLKVWCZKGJH-HNNXBMFYSA-N 439.354 4.333 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)CCCc2cc(Cl)sc2Cl)ccc1[N+](=O)[O-] 756284556 NMMODRIOJWNIGO-UHFFFAOYSA-N 437.326 4.099 5 20 IIBD CC[C@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@@H]1NC(=O)OC(C)(C)C 757871680 RYGFZSSUODQTAJ-WFASDCNBSA-N 426.901 4.405 5 20 IIBD Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)o2)cc1C 758933636 SSMVRYXQYFTTOH-CYBMUJFWSA-N 426.385 4.396 5 20 IIBD COc1ccccc1[C@@H](OC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccccn1 759603699 KIUNWJQFELHCRA-JOCHJYFZSA-N 430.420 4.131 5 20 IIBD COC(=O)[C@H](C)Sc1ccccc1C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760502664 DRFHRUNBORITGM-ZDUSSCGKSA-N 442.449 4.260 5 20 IIBD O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1cccc(-n2ccc(C(F)(F)F)n2)c1 761395664 SYBKGGDNHUWYSI-UHFFFAOYSA-N 432.314 4.298 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(NC3CCN(c4nc5ccccc5s4)CC3)CC2)cc1 765424608 NGAXLCLJCYUPJG-UHFFFAOYSA-N 437.569 4.432 5 20 IIBD CC(C)(C)C(=O)c1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 765723956 KOMCBCSPRLKQOG-LJQANCHMSA-N 434.539 4.260 5 20 IIBD O=C(OCc1nc2ccccc2c2ccccc12)c1ccc(=O)n(-c2ccccc2F)n1 766200510 FSXQHQMDAAVFDR-UHFFFAOYSA-N 425.419 4.430 5 20 IIBD Cc1cc(S(=O)(=O)Nc2cccc(NC(=O)OCC(C)C)c2)cc([N+](=O)[O-])c1F 768273641 NAAGASGYMZUXMG-UHFFFAOYSA-N 425.438 4.048 5 20 IIBD Cc1c(C(=O)NC[C@@H](O)c2ccc(-c3ccccc3)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 768557687 OJPTWDMHFWZKTQ-OAQYLSRUSA-N 435.436 4.250 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@H]1c2ccccc2CC[C@@H]1n1ccnc1 769144264 KOWHKZXPHICUNQ-PMACEKPBSA-N 425.876 4.173 5 20 IIBD C[C@@H](Oc1cccc2ccccc12)C(=O)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 769345904 BCTSCVNSEIWBEI-OAHLLOKOSA-N 436.420 4.057 5 20 IIBD COc1cc(OC)c(OC)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 769719101 DEBMEUDFGXTBKS-UHFFFAOYSA-N 429.473 4.109 5 20 IIBD O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1cc(Br)cc([N+](=O)[O-])c1 770158005 RJUZVMLJTCBFTK-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N1CCSCC1 770317728 KKQKBLQFKJHBMV-KRWDZBQOSA-N 436.331 4.086 5 20 IIBD CCCCc1ccc(NC(=O)Cc2noc([C@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)n2)cc1 770994626 ULMBPYSRTIZXJU-HXUWFJFHSA-N 449.467 4.367 5 20 IIBD C[C@H](COC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)Cc1ccc(F)cc1 771030024 AEXGSMXXFXDPQT-ZDUSSCGKSA-N 430.461 4.049 5 20 IIBD CCN(CCC1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1)CC1CC1 771476133 RUPVPWMYSNIRKQ-MRXNPFEDSA-N 436.984 4.409 5 20 IIBD CC(=O)c1cccc(OCCCC(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)c1 773417529 NCYQHARPHVKMHS-UHFFFAOYSA-N 436.258 4.462 5 20 IIBD COc1cnc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 773472784 JMLBMFGIRKJFDO-UHFFFAOYSA-N 432.845 4.218 5 20 IIBD Cc1nc(-c2cnn(C)c2)sc1C(=O)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776133556 NMVHTSNJVILVRT-GOSISDBHSA-N 435.465 4.102 5 20 IIBD O=C(O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1ccc(OC[C@@H]2CCCO2)cc1 776136533 KHDYMVJLHHBDGZ-NZQKXSOJSA-N 434.448 4.494 5 20 IIBD O=C(CN1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] 777808728 QDMJIIWROBWNHH-OAHLLOKOSA-N 446.939 4.232 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnn(CN3CCC[C@H](c4nc(-c5ccc(F)cc5)no4)C3)c2)c1 777956391 JFCBOLCZCGFBNN-SFHVURJKSA-N 448.458 4.485 5 20 IIBD Cc1ccc(C(=O)N(C)c2ccc(OC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)cc2)cc1 779194957 QXVLGHKXNRIQRN-UHFFFAOYSA-N 434.404 4.128 5 20 IIBD O=C(COC(=O)c1cccc([N+](=O)[O-])c1Br)Nc1cccc(C(F)(F)F)c1 781673551 SCSTZVLQZPQWOF-UHFFFAOYSA-N 447.163 4.172 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Oc1c(F)cc(F)cc1Br 784378409 GIZYSACEAPQGDH-UHFFFAOYSA-N 428.594 4.057 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N[C@@H]2c3ccccc3CC[C@@H]2C)cc1[N+](=O)[O-] 785064506 YCAKEULCRULAEU-VOJFVSQTSA-N 446.301 4.044 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-] 786445290 QLRZWYKSPZMXPW-NSHDSACASA-N 446.257 4.228 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)OCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1F 787942420 ZBFCVPDFQIMJLJ-UHFFFAOYSA-N 432.738 4.093 5 20 IIBD C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1ccc(Br)cn1 794171875 NBRHLRIOLNODNV-SSDOTTSWSA-N 447.058 4.145 5 20 IIBD Cc1cc(OCC(=O)OCc2ncc(-c3ccccc3Br)o2)ccc1[N+](=O)[O-] 797495571 IBDKXLMUAXWNIG-UHFFFAOYSA-N 447.241 4.443 5 20 IIBD Cc1cc(C(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)ccc1[N+](=O)[O-] 800375287 FMDQTZKBQWVSIP-UXHICEINSA-N 439.512 4.284 5 20 IIBD Cn1[nH]cc2c(=NC(=O)c3cccc(Sc4ccc(Cl)cc4)c3[N+](=O)[O-])ccnc1-2 801704661 SXHSXBXRPLHHPC-UHFFFAOYSA-N 439.884 4.307 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cc(C(F)(F)F)cc(Br)n1 806799497 URCYCDCKOQBBTQ-UHFFFAOYSA-N 449.183 4.101 5 20 IIBD COc1cc(Br)ccc1Oc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] 808117262 LRWZWAYTTYGXNV-UHFFFAOYSA-N 438.202 4.155 5 20 IIBD CC[C@H](c1cccc(OC)c1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 808324495 KFDYZFSVYQLAQB-MRXNPFEDSA-N 443.319 4.138 5 20 IIBD COc1cc(OCc2nc(-c3c(Cl)nc4cc(Cl)ccn34)no2)ccc1[N+](=O)[O-] 809531529 FPJUABOPZPSQRM-UHFFFAOYSA-N 436.211 4.187 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCN(CCOc2ccccc2Cl)CC1 809918302 SBJHKKCGJXTWEV-UHFFFAOYSA-N 439.299 4.130 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]2[C@@H](NC(=O)OC(C)(C)C)CCC[C@H]2C1 810317913 JMRHACCDIYHQME-JQHSSLGASA-N 432.521 4.314 5 20 IIBD C[C@H](OC(=O)[C@@H](C)c1cccc(Br)c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 812613259 ZUXJIKAEPABOHE-QWRGUYRKSA-N 439.237 4.170 5 20 IIBD CC(C)(C)OC(=O)N1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c2ccccc21 813278137 AYRRDFHLSAWEQN-UHFFFAOYSA-N 433.411 4.475 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccccc1C(=O)c1cccs1 914798312 GQCMHFQZNLWHRD-UHFFFAOYSA-N 435.417 4.294 5 20 IIBD C[C@H](OC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C(=O)Nc1ccccc1-c1ccccc1 915525402 YJNHPGSKTVBBQX-INIZCTEOSA-N 444.447 4.182 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCc1ccc(SC(F)F)cc1 916055286 GORRCPRHUMFJIS-UHFFFAOYSA-N 438.408 4.341 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 917286156 VPAQIMWVPKVQNK-QFIPXVFZSA-N 433.416 4.415 5 20 IIBD COc1cc(/C=C2\N=C(c3ccoc3C)OC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 917417624 WNIRIHUKRCUVIH-ODLFYWEKSA-N 434.404 4.428 5 20 IIBD Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)OCCn1c([N+](=O)[O-])cnc1C 917943850 GDVYFRNPUFTRQE-UHFFFAOYSA-N 440.403 4.407 5 20 IIBD O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 918026258 DPLWBHZVJWKLPV-NSHDSACASA-N 438.271 4.179 5 20 IIBD C[C@H](c1cc2ccccc2o1)N(C)C(=O)COC(=O)CSc1ccccc1[N+](=O)[O-] 918833403 HJUDHNOCUPOPAG-CQSZACIVSA-N 428.466 4.196 5 20 IIBD O=C(COc1ccc(N2CCCC2=O)cc1)Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-] 920329409 KGMWKDZWCZPSDM-UHFFFAOYSA-N 432.432 4.373 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC(O)(Cc2ccccc2F)CC1 1116848732 OWBSDZWPCXIHTG-UHFFFAOYSA-N 441.484 4.067 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(-c3ccc([N+](=O)[O-])c4cccnc34)o2)C1 1322440643 VTXZPHHJBVERHN-ZDUSSCGKSA-N 425.445 4.308 5 20 IIBD CC(C)OCC(=O)Nc1ccc(C2(NC(=O)CCc3cccc([N+](=O)[O-])c3)CCC2)cc1 1785918391 ZHVBGIOYXXNTHK-UHFFFAOYSA-N 439.512 4.087 5 20 IIBD CO[C@H](C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1)c1ccccc1 1790185330 PZOVCXWFCQYRLY-NRFANRHFSA-N 448.479 4.058 5 20 IIBD COc1ccccc1CC(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1 1791351776 CDNILLYWVWIKAL-UHFFFAOYSA-N 449.463 4.187 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@@H]3CCCS3)cc2)CCC1)c1ccc([N+](=O)[O-])cc1F 1792013955 IBJKYLLEAYNDOG-IBGZPJMESA-N 443.500 4.377 5 20 IIBD O=C(Cc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC1CCCC1 1795414906 XOALEZIFEBYUEA-ACDBMABISA-N 447.963 4.399 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CC2CCC2)n[nH]1 1823431973 UJMBQKYYHDGNET-GOSISDBHSA-N 443.479 4.262 5 20 IIBD O=C([C@H](F)c1ccccc1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823610182 AWVIFVVKEHRQBJ-GHTZIAJQSA-N 443.475 4.132 5 20 IIBD C[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1)c1ccccc1 1823616365 SDNMHXBABLKALD-YLJYHZDGSA-N 439.512 4.225 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCC([C@@H]2CCCCN2C(=O)C2=CCCC2)CC1 1826276792 XEXXKVAIONQINH-QFIPXVFZSA-N 443.519 4.006 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2)CC1 1829870789 KOWZZIKQKVHTIJ-XMMPIXPASA-N 449.551 4.461 5 20 IIBD Cc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)nc2)cc1[N+](=O)[O-] 13984586 FGLROBDKCZGIJB-UHFFFAOYSA-N 435.396 4.019 5 20 IIBD Cc1ccc(C)c(NC(=O)[C@@H](C)OC(=O)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 16822981 PXNRZOXYAJSMQH-CYBMUJFWSA-N 439.390 4.213 5 20 IIBD C[C@@H](OC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C(=O)NC(C)(C)C 16868756 RNVQDISCVFUXJN-CYBMUJFWSA-N 433.892 4.320 5 20 IIBD CCOc1ccc(C(=O)N2CCN([C@@H](C)c3nc4ccccc4s3)CC2)cc1[N+](=O)[O-] 23922112 JMWQYSAVSBKSCO-HNNXBMFYSA-N 440.525 4.122 5 20 IIBD Cc1ccc(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)c(C)c1 26882538 WEPPQPHYYUWMLM-UHFFFAOYSA-N 436.917 4.149 5 20 IIBD Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N[C@H]2CCCC[C@H]2C)n1 28809990 RYNVAALYQLNXJO-WBMJQRKESA-N 449.554 4.363 5 20 IIBD CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c1 28813523 KRPVVMJBVKOFDN-UHFFFAOYSA-N 441.465 4.090 5 20 IIBD CCOC(=O)c1cc(C(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C2CC2)cc([N+](=O)[O-])c1 58642864 KCQXMQQJUQFPNI-HNNXBMFYSA-N 426.469 4.221 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)Nc3cnn(CCN(C)C)c3)cc2[N+](=O)[O-])cc1 61636056 XCXWXNNWUYQENQ-UHFFFAOYSA-N 425.514 4.065 5 20 IIBD CC(C)[C@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc(C2CC2)no1 110705045 ZJNJHRKQRZSLQO-INIZCTEOSA-N 441.410 4.190 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCN(c3cccc(O)c3)CC2)cc1[N+](=O)[O-] 216563460 DHTNKSGNQOTVCG-UHFFFAOYSA-N 429.542 4.401 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccnn1Cc1ccccc1Br 247343559 SXUSUIZBWZRPOS-UHFFFAOYSA-N 444.289 4.043 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSc1nnc(C2CC2)n1-c1ccccc1 261474435 ZCCPTPNFRKRRNR-UHFFFAOYSA-N 437.481 4.143 5 20 IIBD O=c1c(Cl)c(N[C@H]2CCN(c3cccc(Cl)c3)C2)cnn1-c1ccc([N+](=O)[O-])cc1 301531520 KCSXOVZRWMMZLJ-AWEZNQCLSA-N 446.294 4.138 5 20 IIBD Cc1nc(-c2cccc(NC(=O)CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])c2)cs1 303417543 XDKFKNRGISWUNV-UHFFFAOYSA-N 430.873 4.049 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ncc(Cc2ccc(C)c(C)c2)s1 409498357 FCKGQQVDHNVXSB-UHFFFAOYSA-N 433.511 4.068 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 427257307 OGTXXSVDQVRMLJ-MRXNPFEDSA-N 438.267 4.154 5 20 IIBD C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)[C@H](C(N)=O)C1 428634732 BPMVUUSIGKCUSQ-SJCJKPOMSA-N 433.917 4.125 5 20 IIBD O=C(CC1(Cc2nc3ccccc3s2)CCCCC1)NCCn1cc([N+](=O)[O-])cn1 428707024 GLFXUVKSLVOVCK-UHFFFAOYSA-N 427.530 4.101 5 20 IIBD Cc1c(NC(=O)C(=O)N(C)Cc2ccc(C(C)C)cc2)cc(Br)cc1[N+](=O)[O-] 430307229 QEAXBSHGVFZWIP-UHFFFAOYSA-N 448.317 4.386 5 20 IIBD C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1noc(-c2ccc(Cl)cc2)n1 430437081 JLMRYNFKIVBVCC-ZDUSSCGKSA-N 441.875 4.389 5 20 IIBD O=C(O)c1ccoc1CSc1ccccc1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 432117132 RYLQNOYCVQDTIB-UHFFFAOYSA-N 438.461 4.377 5 20 IIBD O=[N+]([O-])c1ccccc1/C=C/c1nc(O)c2cnn(-c3cccc(Br)c3)c2n1 434934759 RBDKXRGITDIHHN-CMDGGOBGSA-N 438.241 4.362 5 20 IIBD CCn1c(CCNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)nc2ccccc21 436249553 DYFIDPPSPZCPLO-UHFFFAOYSA-N 446.457 4.302 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C[C@H](NC(=O)c2ccc(O)cc2)c2ccccc2)cc1[N+](=O)[O-] 436559296 UNHOVGOTTFHPER-JTSKRJEESA-N 447.491 4.347 5 20 IIBD CN(Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 436665461 OKMSJUHCXSMFKK-UHFFFAOYSA-N 437.418 4.056 5 20 IIBD O=C(Nc1ccc(OC2CCCC2)c(F)c1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437043324 YUOSLDMEXPAOSO-UHFFFAOYSA-N 441.459 4.185 5 20 IIBD CCOc1ccc(/C=C\c2nc(Cc3cc(OC)cc(OC)c3[N+](=O)[O-])no2)cc1OC 445819043 OKCOBWXOYATJRL-CLFYSBASSA-N 441.440 4.164 5 20 IIBD O=C(Cn1c(COc2ccccc2)nc2ccccc21)N1CCc2ccc([N+](=O)[O-])cc2C1 446420947 YIJVCDGRKFPMKX-UHFFFAOYSA-N 442.475 4.108 5 20 IIBD CCN(CC)C(=O)c1ccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1Cl 446929743 RZVACRAQOBICKF-UHFFFAOYSA-N 430.892 4.320 5 20 IIBD C[C@H](OCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccccc1 446936765 PCWKCHWHDNOYRE-ZDUSSCGKSA-N 432.420 4.060 5 20 IIBD CCCNC(=O)C1(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CCCCC1 447339899 HUDSBFSNQIKEBL-UHFFFAOYSA-N 439.512 4.133 5 20 IIBD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)n1 447528263 ILNPYGXGRUPKIN-IPMKNSEASA-N 437.466 4.158 5 20 IIBD CS(=O)(=O)c1cccc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2)c1 464369572 SDBQJBWQSQWOCK-HXUWFJFHSA-N 444.896 4.171 5 20 IIBD C[C@@H](NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1c(Cl)ccc(F)c1Cl 465076112 WMPNDKWCCVIKHS-SECBINFHSA-N 429.231 4.232 5 20 IIBD CC(C)(C)c1csc(C2CCN(C(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CC2)n1 465129948 UNVPPKDAZYTXLY-UHFFFAOYSA-N 445.541 4.069 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1OCC1CCC1 468187525 QXIXUIATOYSJBT-UHFFFAOYSA-N 431.876 4.186 5 20 IIBD COC[C@H](C)Oc1ccc(Cl)cc1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 468346826 FVNPVUUPLNFQKM-JTQLQIEISA-N 435.285 4.116 5 20 IIBD CC(C)C(=O)NCCN(C)C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 468352061 LYRSRYSHMQIPGD-UHFFFAOYSA-N 435.933 4.244 5 20 IIBD C[C@H](NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)c1cccc(OCc2ccccn2)c1 468525475 XDQHYZMARXVGAB-KRWDZBQOSA-N 448.479 4.103 5 20 IIBD CC(C)(C)[C@@H](CC1CCCCC1)NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 469436750 QEZPAHVCHDGDOM-LJQANCHMSA-N 429.517 4.363 5 20 IIBD Cc1cc(C)n(-c2ccccc2CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)n1 472203225 CSWMFQGCQWFZKT-UHFFFAOYSA-N 443.301 4.019 5 20 IIBD Cc1nc(NC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] 475304275 PKBBLGYFNPEAJP-GBXCKJPGSA-N 444.491 4.417 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NC[C@@H]1CC[C@@H](O)C1 476546759 MGOBNAQFTIUCFS-XDMWBHIASA-N 437.521 4.412 5 20 IIBD COc1cc(C(=O)Nc2c(C)cnn2[C@@H]2CCN(Cc3ccccc3)C2)cc([N+](=O)[O-])c1C 478328938 IFQUIYWBXZOFRB-HXUWFJFHSA-N 449.511 4.116 5 20 IIBD O=C(COc1c(Cl)cccc1[N+](=O)[O-])c1ccccc1N1C(=O)c2ccccc2C1=O 478728337 ZXRHVJXCWVUKMV-UHFFFAOYSA-N 436.807 4.311 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1cnn(-c2ccccc2Br)c1 479018939 JCKRDPSWBZFMDW-UHFFFAOYSA-N 444.289 4.249 5 20 IIBD CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 479051151 CRSONEFGLHETMV-BUKVSMQUSA-N 426.517 4.486 5 20 IIBD C[C@H](NC(=O)CSc1nc2ccccc2nc1N1CCCC1)c1cccc([N+](=O)[O-])c1 480503000 XLSWVCJZNXZESW-HNNXBMFYSA-N 437.525 4.108 5 20 IIBD CCn1c([C@@H]2CCCN2S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)nc2ccccc21 481345855 WWYWHQWSUDVWEL-IBGZPJMESA-N 428.514 4.107 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)cc(Br)c2O)cc1OC 482578585 MWIMGZGMDRRFLR-UHFFFAOYSA-N 425.235 4.031 5 20 IIBD O=C(c1c([N+](=O)[O-])cccc1C(F)(F)F)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 484952065 UXISBMHDNITUEX-DLBZAZTESA-N 433.430 4.208 5 20 IIBD O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1sc(Br)cc1[N+](=O)[O-] 485499786 YHLKZQGZTMLTOI-UHFFFAOYSA-N 443.666 4.052 5 20 IIBD COc1ccccc1[C@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccccn1 486434428 LRJAWLNLPPUOTP-INIZCTEOSA-N 448.298 4.342 5 20 IIBD COCCN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@H]1CCO[C@@H]1C 488847355 AYEYMUUOOJHOLL-KDOFPFPSSA-N 434.876 4.307 5 20 IIBD CN(Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 490107946 UPNHQLWFWZAEDH-UHFFFAOYSA-N 439.409 4.489 5 20 IIBD CC(C)(NC(=O)NCCCOc1ccc(C(F)(F)F)cn1)c1ccccc1[N+](=O)[O-] 490261253 QVIMXKMZMZINQQ-UHFFFAOYSA-N 426.395 4.012 5 20 IIBD COc1ccc(CNC(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc1[N+](=O)[O-] 490307364 OWHUUTBZORAZEM-HNNXBMFYSA-N 430.530 4.028 5 20 IIBD COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 490780834 DCSJFHYHGYWPHC-NRFANRHFSA-N 431.920 4.311 5 20 IIBD C[C@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccc(NC(N)=O)cc1 494305490 ANEGQRNEVXKXEW-HNNXBMFYSA-N 434.452 4.155 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N(CCCO)Cc1ccc(Cl)c(Cl)c1 494359091 DJOFWKTWDAVKKC-UHFFFAOYSA-N 449.294 4.112 5 20 IIBD CC(=O)N1c2ccc(S(=O)(=O)N(c3cccc([N+](=O)[O-])c3)C3CCCC3)cc2C[C@@H]1C 494490929 BYFBEJMNGGYOFG-HNNXBMFYSA-N 443.525 4.030 5 20 IIBD CCC1(CO)CCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 497353338 FJAQCWZJPNMIJI-UHFFFAOYSA-N 445.903 4.125 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 506705628 QCVWMDPOCWDHFQ-UHFFFAOYSA-N 437.427 4.166 5 20 IIBD Cc1nc([C@H](NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c2ccccc2F)no1 510535927 YUKNMEZUNUXYGU-MRXNPFEDSA-N 449.236 4.016 5 20 IIBD CSc1ccc(C(=O)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)cc1[N+](=O)[O-] 510602460 WFJRIAYZANLLKJ-CYBMUJFWSA-N 441.431 4.224 5 20 IIBD CCOc1cc(C(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)c([N+](=O)[O-])cc1OC 511784634 HNSWSUDRKNXUPH-QFIPXVFZSA-N 441.528 4.033 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 512135670 NHWSOPJIMFBEIO-CYBMUJFWSA-N 440.843 4.193 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN3CCC(c4ccnn4CCO)CC3)o2)c(Cl)c1 512805841 MTDQHPUOZNEJLH-UHFFFAOYSA-N 430.892 4.077 5 20 IIBD CC(C)(C)c1nc2ccc(NC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)cc2s1 513839314 IDXXCLGSSMVVLK-UHFFFAOYSA-N 433.511 4.158 5 20 IIBD C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(NC(=O)Cc2ccccc2F)c1 514576240 GXPNFIJIJAVNFM-INIZCTEOSA-N 435.455 4.335 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@@H](OCc3ccncc3)C2)c([N+](=O)[O-])c1 514662503 CAXVJEUFNRKUAM-QPPBQGQZSA-N 446.507 4.269 5 20 IIBD Cc1ccc(Sc2ncccc2C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1C 514777508 DDVJUQORTGSUAK-UHFFFAOYSA-N 449.536 4.115 5 20 IIBD CCc1cccc2c(C3CCN(C(=O)c4cc5c(cc4[N+](=O)[O-])OCCO5)CC3)c[nH]c12 515982331 TVPHHVDDGQOSOA-UHFFFAOYSA-N 435.480 4.430 5 20 IIBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 515986177 YSJGBXJQMWDMOG-NRFANRHFSA-N 437.883 4.078 5 20 IIBD O=C(NCc1cccc(CN2CCCCCC2)c1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 518890670 VHGSRJVBUYMZHD-UHFFFAOYSA-N 434.496 4.155 5 20 IIBD O=C(Nc1cc(C(F)(F)F)ccc1Br)c1cc([N+](=O)[O-])cc2c1OCCO2 519855127 INFPZUVVPQZWDT-UHFFFAOYSA-N 447.163 4.400 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 522515011 YQWVENSHRLTOPB-LJAQVGFWSA-N 444.534 4.153 5 20 IIBD Cc1ccc(C(=O)N[C@@H](CC(=O)N2CCc3c2cccc3[N+](=O)[O-])c2ccccc2)cc1 523133788 ZCWLONKPTFKQFG-NRFANRHFSA-N 429.476 4.354 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N(Cc1cccc(F)c1)C[C@H]1CCCO1 523509349 ZEVFXBJRLLAXPR-MRXNPFEDSA-N 437.265 4.318 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(-c2nnc3n2CCCC3)cc1 523953031 MIBAUJLUQYCRPM-UHFFFAOYSA-N 441.875 4.251 5 20 IIBD O=C(Nc1cc(Cl)cc(Br)c1O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 530895988 WUXHVMPINZMCBD-UHFFFAOYSA-N 437.637 4.154 5 20 IIBD CN1CCN(Cc2ccc(C(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc2)CC1 531061396 OCFYENVVUXVUSX-UHFFFAOYSA-N 446.507 4.387 5 20 IIBD Cc1ccc(S(=O)(=O)N(C)[C@@H](c2ccncc2)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 531142171 VIERZBXZMJDFDL-HXUWFJFHSA-N 431.901 4.362 5 20 IIBD Cc1ccc(Cn2cccc(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)c2=O)cc1 533142401 ZOTAMKGIQCKUOA-UHFFFAOYSA-N 446.488 4.489 5 20 IIBD Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 533516760 IJSMTPPZPXBNHY-RDPSFJRHSA-N 445.523 4.473 5 20 IIBD O=C(N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)c1c[nH]c2cccc([N+](=O)[O-])c12 534981309 ATLUOMQRGBOQCO-HXUWFJFHSA-N 441.447 4.372 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CC=C(c3cc(C)cc(C)c3)CC2)cc1OC 535812961 XANCCWHCLQEJTB-UHFFFAOYSA-N 440.496 4.175 5 20 IIBD O=C(CCc1ccc(Cl)cc1Cl)NCCNc1ncnc2ccc([N+](=O)[O-])cc12 538280789 GRFLWMJLTYDUCD-UHFFFAOYSA-N 434.283 4.006 5 20 IIBD COc1cc(CN[C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)ccc1OCC(N)=O 539042231 WVWHTZLYSJXQCO-AWEZNQCLSA-N 441.509 4.047 5 20 IIBD C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC1CCN(c2nc3ccccc3s2)CC1 539065297 MAGCTXNFNCJEJT-OAHLLOKOSA-N 439.541 4.180 5 20 IIBD Cc1cc(Br)c2oc(C(=O)N3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc2c1 541096555 YVAJOZHCQZYZKR-CYBMUJFWSA-N 445.273 4.134 5 20 IIBD C[C@H](C(=O)NCCCCc1nc(-c2cccnc2)cs1)c1ccc([N+](=O)[O-])cc1F 542596315 PTGNYRNNXDKONS-AWEZNQCLSA-N 428.489 4.495 5 20 IIBD C[C@H](C(=O)Nc1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1F 542613006 QSJDFRFBAKNMMZ-AWEZNQCLSA-N 443.456 4.277 5 20 IIBD O=C1C[C@@H](c2nc(Cc3ccccc3[N+](=O)[O-])no2)CN1Cc1cccc(C(F)(F)F)c1 544910605 PGMNYGFVOSGYLC-OAHLLOKOSA-N 446.385 4.104 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(Cc3nc(O)c4c(C5CC5)csc4n3)no2)c(Cl)c1 545575222 PJXMNHKHGQAWML-UHFFFAOYSA-N 429.845 4.477 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3nc(-c4ccccc4N4CCOCC4)no3)cs2)cc1 545616024 BCRQWEQVPRRYNK-UHFFFAOYSA-N 435.465 4.272 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@@](CO)(C(C)C)C2)c([N+](=O)[O-])c1 550433756 UVXIUPGYEJKANU-LADGPHEKSA-N 425.529 4.314 5 20 IIBD C[C@@H](C(=O)N(C)CC(=O)NC(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1F 553917636 VWWACWQBYGHHAU-QGZVFWFLSA-N 449.482 4.202 5 20 IIBD COC(=O)CCN(C(=O)c1cc([N+](=O)[O-])cc(Br)c1C)c1cccc(F)c1 556412910 FTMDJKNBXVLFRP-UHFFFAOYSA-N 439.237 4.015 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCc1cccc(Oc2ccc3ccccc3c2)c1 557074672 RKUGMNOZWIIDIR-UHFFFAOYSA-N 429.432 4.018 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(F)c3ccccc23)cc1OC 561628439 FPWKIFLECNNXQP-AWEZNQCLSA-N 442.443 4.412 5 20 IIBD O=[N+]([O-])c1cc(I)ccc1N1CCC(F)(c2cccnc2)CC1 565374146 PDVQRTKMVQIPKG-UHFFFAOYSA-N 427.217 4.060 5 20 IIBD CCc1cccc(CC)c1-n1c(Sc2ncc([N+](=O)[O-])cn2)nnc1-c1cccnc1 565981478 YYXMRNFSQSNJOU-UHFFFAOYSA-N 433.497 4.304 5 20 IIBD COC[C@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1cccc(Cl)c1 567024676 XUEFFRPWXJOFKC-HNNXBMFYSA-N 432.782 4.307 5 20 IIBD COc1cc(CN2CC[C@@H](C3CCN(C)CC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 572683364 RSPIOFVCCDIGHR-OAQYLSRUSA-N 439.556 4.346 5 20 IIBD CCOc1cc(CN[C@H]2CC[C@@H](F)C2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 573478479 NZQFURJNWKIJSO-MOPGFXCFSA-N 446.475 4.419 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CN2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1 578827906 OEHFVOOMXFTRBK-KSZLIROESA-N 444.313 4.105 5 20 IIBD CC(C)Cn1ncc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1C1CC1 580595924 DTOYRUNLHDDDRU-UHFFFAOYSA-N 433.317 4.432 5 20 IIBD Cc1c(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)nnn1Cc1ccccc1F 581555844 RVIDRZVULNUCJN-UHFFFAOYSA-N 427.439 4.021 5 20 IIBD O=C(NC[C@H](CO)c1ccccc1Cl)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 582925718 WRVHRPVIWLUHGP-QGZVFWFLSA-N 440.883 4.333 5 20 IIBD COC(=O)CC1(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CCCCC1 583238832 FXDYCXSPUHYCNY-UHFFFAOYSA-N 426.469 4.170 5 20 IIBD Cc1ccc(C2(c3noc(-c4ccn(-c5cccc([N+](=O)[O-])c5)n4)n3)CCOCC2)cc1 583839240 ZKJVTGWRVOEJAG-UHFFFAOYSA-N 431.452 4.235 5 20 IIBD C[C@H](NC(C)(C)CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 591052857 MXQQJJVKFTYMRO-IBGZPJMESA-N 427.548 4.400 5 20 IIBD CCN1CCN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)CC1 601418313 OHWPJYWDCNKMIR-UHFFFAOYSA-N 428.539 4.133 5 20 IIBD C[C@@H](Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-])c1cc(F)c(Cl)cc1Cl 603472443 ABJBTPFDPVQUMG-SECBINFHSA-N 436.292 4.464 5 20 IIBD O=C(Nc1cc(Cl)ccc1-n1cncn1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 603730671 KWRWYKRMUBIBDA-UHFFFAOYSA-N 441.753 4.022 5 20 IIBD Cc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Nc2ccccc2)sc1C(=O)O 603971162 FJOLBVUNOLZTOC-UHFFFAOYSA-N 433.467 4.207 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCCN2Cc3ccccc3C2)c([N+](=O)[O-])c1 604482892 GEINTBKCCRJWES-UHFFFAOYSA-N 445.475 4.040 5 20 IIBD CC(C)[C@@H](NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc(C2CC2)no1 609022106 DVLORSIZIFJMNI-OAHLLOKOSA-N 444.435 4.480 5 20 IIBD Cc1ccccc1Oc1ccccc1CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 609299040 KHHCUWIWBWKNGF-UHFFFAOYSA-N 429.436 4.206 5 20 IIBD COc1cc(CNC[C@@H](C)Sc2ccc(Br)cc2)c([N+](=O)[O-])cc1O 609467464 VHQBVFUEFUSWJB-LLVKDONJSA-N 427.320 4.342 5 20 IIBD CN1CCC[C@H](CN(C)C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 609664372 DKAHZWQBDNUNLB-INIZCTEOSA-N 430.936 4.274 5 20 IIBD O=C(c1cnn(-c2ccc(Br)cc2)c1)N1CCCc2ccc([N+](=O)[O-])cc21 609859600 FDGMOEOCEJRGGR-UHFFFAOYSA-N 427.258 4.136 5 20 IIBD COc1cc(C(=O)N[C@@H](C)[C@@H](OC)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC(F)F 609865774 GBPAVYRQMSGGTO-DYZYQPBXSA-N 444.818 4.364 5 20 IIBD CCN(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccsc1 610061012 ZZQBHGUNPIEOID-INIZCTEOSA-N 426.336 4.232 5 20 IIBD C[C@H](C(=O)O)N(C)C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 610891815 AVFVMVXSNCYOQZ-WDGDVPDHSA-N 425.466 4.067 5 20 IIBD COc1ccc(-c2nnc(Sc3c([N+](=O)[O-])ncn3C)n2-c2ccc(Cl)cc2)cc1 619683768 QUHLIVVEVPMMPS-UHFFFAOYSA-N 442.888 4.389 5 20 IIBD CC[C@H](OC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2)C(N)=O 726992327 JVHASCNUVLSSOW-XHVGKJTDSA-N 445.475 4.441 5 20 IIBD O=Cc1ccc(OCC(=O)N[C@H](c2ccc(Cl)cc2)c2ccsc2)c([N+](=O)[O-])c1 731619217 ZFRUZNDZFSBFDL-HXUWFJFHSA-N 430.869 4.407 5 20 IIBD O=Cc1ccc(OCC(=O)N[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)c([N+](=O)[O-])c1 731636678 GFTPBPPXTRDEDA-VWLOTQADSA-N 446.459 4.017 5 20 IIBD Cc1ccc(NC(=O)c2cccc(OS(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)c2)cc1 731673349 MIVUUFOTTJZBBO-UHFFFAOYSA-N 426.450 4.064 5 20 IIBD Cc1cc(S(=O)(=O)Nc2cccc(CC[C@@H](O)c3ccccc3)c2)ccc1[N+](=O)[O-] 734416697 ZNSBJOMXLVQBLG-JOCHJYFZSA-N 426.494 4.370 5 20 IIBD O=C(c1ccccc1C(F)(F)F)N1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 735492160 VODHUWXGXLZENR-UHFFFAOYSA-N 427.810 4.225 5 20 IIBD O=C(CCn1cc([N+](=O)[O-])cn1)O[C@@H](c1ccccc1)c1ccccc1Br 735803232 XWLYRSMCOKPRCX-IBGZPJMESA-N 430.258 4.277 5 20 IIBD CC(C)CC(=O)NCCC(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1OCc1ccccc1 741527905 XDHNGIVEAIXGHY-UHFFFAOYSA-N 433.892 4.318 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)CC[C@H]2CC[C@@H](C)O2)c2ccccc2)c([N+](=O)[O-])c1 745710704 ULBSGXIFYLBLSQ-RADWXHQJSA-N 426.469 4.474 5 20 IIBD CCCN([C@@H]1CCc2ccccc21)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 746186460 SFWUATYSKPZATG-QGZVFWFLSA-N 439.331 4.446 5 20 IIBD CCCCCCNC(=O)[C@@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 748449525 YOUFIUVSHMYQOP-CQSZACIVSA-N 442.463 4.137 5 20 IIBD O=C(Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ncccn1 748803738 YVSXSUHHERHNGZ-UHFFFAOYSA-N 433.207 4.163 5 20 IIBD CC[C@H](OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)c1ccc(NC(C)=O)cc1 748903076 QTKIZEVXWBLPAJ-KRWDZBQOSA-N 438.358 4.390 5 20 IIBD O=C(NCCOC(=O)c1cc(Cl)ccc1OC(F)F)c1ccc([N+](=O)[O-])cc1Cl 749029611 RWKDYDYSZGBCTK-UHFFFAOYSA-N 449.193 4.090 5 20 IIBD O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)c1cccc(Cl)c1[N+](=O)[O-] 749925675 PHTJDQVMTHLMIN-GFCCVEGCSA-N 438.709 4.267 5 20 IIBD O=C(N[C@@H]1CCOc2ccc(F)cc21)c1cc(Br)cc([N+](=O)[O-])c1Cl 750863864 BATQAZCRWFFPFI-GFCCVEGCSA-N 429.629 4.403 5 20 IIBD CCCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)[C@@H]1CCCN(Cc2ccccc2)C1 751169714 TWLSZXVUSWLJHN-LJQANCHMSA-N 440.500 4.328 5 20 IIBD O=C(Nc1cccc(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1)c1ccccc1 751268972 QPUGEMZZALKDJH-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 754095292 SIGXAAUDNMJJIC-DYVFJYSZSA-N 448.394 4.360 5 20 IIBD C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754967313 MFEYRMCMCCPCOE-SEDUGSJDSA-N 437.265 4.487 5 20 IIBD C[C@@H](OC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccc(N2CCCC2)cc1 755062371 MKAHJVWIMRUTNC-HUUCEWRRSA-N 429.448 4.008 5 20 IIBD CN1C(=O)CC[C@@H](COC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H]1c1cccc(Cl)c1 756289485 HEQHQFPMGQSWKR-JTSKRJEESA-N 430.888 4.334 5 20 IIBD Cc1ccc(C(=O)O[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1NC(=O)c1ccco1 759931029 LYLDEOQCRAEAOE-ROUUACIJSA-N 438.440 4.286 5 20 IIBD O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 762104592 ZCMUWAALVMOOTN-HZPDHXFCSA-N 445.863 4.154 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)COC/C=C\c1ccccc1 764227334 XOYOOGZYFAQYDM-YFHOEESVSA-N 436.468 4.112 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 767195776 RGLDXTRIQMWRHM-HNNXBMFYSA-N 430.386 4.429 5 20 IIBD CCN(CC(=O)Nc1c(F)cccc1F)Cc1c(Br)cccc1[N+](=O)[O-] 768162338 BNKBZOIXHLVRQI-UHFFFAOYSA-N 428.233 4.096 5 20 IIBD CC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H](c1ccc(C)cc1)n1cncn1 770011803 VGHAJBUVBNRMSB-IEBWSBKVSA-N 428.880 4.338 5 20 IIBD Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 770326695 QNYJEDGCHWWNHN-UHFFFAOYSA-N 446.305 4.136 5 20 IIBD CCOc1ccc(-c2nc(COC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)co2)cc1 773130862 IIIBXFOIYKJMSC-UHFFFAOYSA-N 434.408 4.191 5 20 IIBD COc1cc(/C=C2/N=C(c3cc4ccccc4[nH]3)OC2=O)c([N+](=O)[O-])cc1OCC(F)F 778517914 MWYLFLXSHKYHNT-VIZOYTHASA-N 443.362 4.073 5 20 IIBD CCOCCOc1ccc(Br)cc1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] 779453042 SVSKUWTVIFKIHE-UHFFFAOYSA-N 445.216 4.303 5 20 IIBD C[C@H](OC(=O)[C@H](c1cccc(Cl)c1)N(C)C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 780103098 SXQWJWNRHXNSLY-SJCJKPOMSA-N 430.848 4.205 5 20 IIBD O=C(NCc1cccc(OCc2ccccc2)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 783297713 VSYGKRRDSPUPKI-UHFFFAOYSA-N 439.855 4.082 5 20 IIBD COc1ccc(-c2ccc(CNC(=O)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2)cc1 783331172 QTROOHAHRZPROG-UHFFFAOYSA-N 439.855 4.179 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCSc2nc(C(F)(F)F)nc3ccccc23)cc1 783713106 QQWVCLXTGBGKIK-UHFFFAOYSA-N 443.428 4.123 5 20 IIBD CCC[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br 784705415 YGTPEZXZDUERMU-TZMCWYRMSA-N 426.311 4.079 5 20 IIBD Cc1ccccc1NC(=O)COC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 787452213 HPANRULXHKVOSL-HZPDHXFCSA-N 425.485 4.181 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(I)c1)c1sccc1OC(F)F 788106733 BCRFWVLWDNGKNO-UHFFFAOYSA-N 440.165 4.115 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 790197334 UYPJMFDTPQMYLA-ZIAGYGMSSA-N 447.875 4.192 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccc(-c2cn3cccnc3n2)cc1 790555424 OLLWYRBCIWPKQP-UHFFFAOYSA-N 425.807 4.278 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])OCc1noc(-c2ccc(Cl)cc2)n1 790740989 ALXBWGVSENPOKV-UHFFFAOYSA-N 426.187 4.377 5 20 IIBD CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790912447 UJWMDQBYUGQTIH-UHFFFAOYSA-N 431.892 4.130 5 20 IIBD CCC1=C(C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCCO1 791546657 OYWTUMUREWYNMM-GFCCVEGCSA-N 431.470 4.063 5 20 IIBD COc1cc([N+](=O)[O-])ccc1COC(=O)c1cnn(-c2ncccc2Cl)c1C(F)F 797474476 FLPFFVXIMQCWBX-UHFFFAOYSA-N 438.774 4.132 5 20 IIBD CCCN(C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 799410944 GPEIEMARSGQIJW-UHFFFAOYSA-N 425.344 4.170 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 799783422 CBTVFKZVROCHQX-RBUKOAKNSA-N 433.549 4.317 5 20 IIBD COCCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@H](C)c1cccc(C(F)(F)F)c1 801855458 JLTIVBJEJGOSAI-LLVKDONJSA-N 429.370 4.185 5 20 IIBD C[C@H](CC(=O)N(C)CCc1ccccc1[N+](=O)[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 803408492 IMIUFEXWZQBEST-MJGOQNOKSA-N 433.549 4.269 5 20 IIBD CC(C)(C)OC(=O)NCC(C)(C)C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811217901 FUXADHDCSJUUJJ-UHFFFAOYSA-N 435.502 4.312 5 20 IIBD COc1ccc([C@H](O)C2CCN([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 812856346 OZDONTHQOBOOEW-QKKBWIMNSA-N 447.919 4.029 5 20 IIBD CC(C)OC(=O)[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 813971085 HPJNNDNPVKTQFX-RUZDIDTESA-N 429.472 4.391 5 20 IIBD Cc1ccc(C(=O)CCC(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)cc1 864244608 FMRUTPYDSWSNKE-UHFFFAOYSA-N 436.468 4.353 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cc2cc(Br)ccc2[nH]1 914881865 DTBLNPROGXUSCW-UHFFFAOYSA-N 443.213 4.246 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 915650087 OPZOUQOXJWAAKX-UHFFFAOYSA-N 439.447 4.241 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)c1ccc(-c2cnco2)cc1)c1cccc([N+](=O)[O-])c1 918632553 IXOZHXMXPVUPAU-FQEVSTJZSA-N 449.463 4.492 5 20 IIBD CNC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 918650333 SGSMPYSTMKKAMC-ZIAGYGMSSA-N 444.919 4.342 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)nn1C(C)(C)C 919350100 GHFBUYZWBOYPLA-NSHDSACASA-N 442.394 4.058 5 20 IIBD Cc1ccc(CC(=O)O[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)cn1 919489033 ZEVGOQIUTMRSLI-NRFANRHFSA-N 439.855 4.417 5 20 IIBD CCOc1ccc(CNc2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])cc1 920340789 UIQYAAPDORDGDA-UHFFFAOYSA-N 426.223 4.285 5 20 IIBD COc1cc(/C=C2\N=C(c3cccc(F)c3)OC2=O)c([N+](=O)[O-])cc1OCC(F)(F)F 921274335 JKFBZQQEJQZHKJ-MLPAPPSSSA-N 440.305 4.028 5 20 IIBD C[C@H](OC(=O)c1cccc(COc2cccc(C=O)c2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 1318313194 FWXPSYZIPUAJTP-INIZCTEOSA-N 448.431 4.170 5 20 IIBD CN(C(=O)OC(C)(C)C)C1(C)CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 1318330605 SKRYZBHAIYCOAI-UHFFFAOYSA-N 429.521 4.137 5 20 IIBD COc1cc(CN2CCO[C@H](c3ccc(Cl)s3)C2)c([N+](=O)[O-])cc1OC(F)F 1318853345 YEUOLURPEFORIZ-AWEZNQCLSA-N 434.848 4.493 5 20 IIBD O=C(Nc1ccccc1)Nc1cccc(CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c1 1322199684 XXWPZJMBSFIJHZ-UHFFFAOYSA-N 431.452 4.464 5 20 IIBD CCOc1ccc(O[C@H](C)c2nnc([C@@H](CC)Nc3c([N+](=O)[O-])c(C)nn3C)o2)cc1 1322341828 OPPVELBLLOJOBB-CZUORRHYSA-N 430.465 4.122 5 20 IIBD O=C(Cc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(C2(NC(=O)C3CC3)CCC2)cc1 1786116022 RCGOFNOSSYKFAC-UHFFFAOYSA-N 427.888 4.335 5 20 IIBD Cc1ncccc1C(=O)Nc1ccc(C2(NC(=O)c3cccc(F)c3[N+](=O)[O-])CCC2)cc1 1787320288 BLMQOXVKRQKTEW-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD COc1cc(CC(=O)Nc2ccc(C3(NC(=O)C4=CCCC4)CCC3)cc2)ccc1[N+](=O)[O-] 1790477801 HTEQCWMZPFQYCG-UHFFFAOYSA-N 449.507 4.390 5 20 IIBD Cc1c(F)cccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823608734 NKJHYLCGDKAPCH-LJQANCHMSA-N 443.475 4.182 5 20 IIBD CC(C)(C)CC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc([N+](=O)[O-])ccc2F)CC1 1824945724 BJGTXFJESAICGZ-NRFANRHFSA-N 447.551 4.332 5 20 IIBD O=C(C1CCCC1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830494028 UGXJDMDMLBAMSJ-NRFANRHFSA-N 431.508 4.157 5 20 IIBD CC[C@H](C)CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])c(O)cc2C)CC1 1830787376 BZGWPYMLMLWPKC-JXFKEZNVSA-N 445.560 4.278 5 20 IIBD Cc1ccc(C)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)c1 1832563713 BKJHKTWSRCPVJY-FQEVSTJZSA-N 439.512 4.352 5 20 IIBD CCc1ccc2c(COC(=O)c3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])cc(=O)oc2c1 10209335 FCDQHMVEHRZBQK-UHFFFAOYSA-N 449.362 4.231 5 20 IIBD Cc1cc2ccccc2n1CC(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 10621028 LEWFGTRMMDTWER-UHFFFAOYSA-N 435.358 4.059 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(OC(F)F)c(Cl)c1 11028945 NALOFFBOXHZGBX-UHFFFAOYSA-N 435.166 4.299 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 15410239 UBXYXORFPMJRLA-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD COc1cccc(NC(=O)C2=C(C)N(C)C(=S)N[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1 21187245 ZKBCPCGTSUMVAV-GOSISDBHSA-N 446.916 4.031 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])s1)C(=O)Nc1ccc(OCc2ccccc2)cc1 22053635 PHEJCRKTVGLEJQ-AWEZNQCLSA-N 426.450 4.419 5 20 IIBD CCn1c(SCC(=O)N2CCc3ccccc3C2)nc2cc3ccccc3cc2c1=O 22177836 GEDZPLNDGWLJHD-UHFFFAOYSA-N 429.545 4.247 5 20 IIBD COCc1nc2ccccc2c(C)c1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 22871924 XWWGQYKZHQCBGG-UHFFFAOYSA-N 443.843 4.047 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2cnn(-c3ccc(Cl)cc3)c2C)cccc1[N+](=O)[O-] 28966270 AHIAOADSWRFTJF-CQSZACIVSA-N 442.859 4.235 5 20 IIBD CNC(=O)c1ccc(Sc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)c([N+](=O)[O-])c1 64905466 RILPOWFYILXDOL-UHFFFAOYSA-N 434.481 4.180 5 20 IIBD COc1ccc(-c2nnc(SCc3c(F)cccc3[N+](=O)[O-])n2C[C@H]2CCCO2)cc1 78412062 HYFLWVGWYPKBCG-MRXNPFEDSA-N 444.488 4.472 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)cc2)cc1 109023987 PWNGIVZMHAJLFS-UHFFFAOYSA-N 426.450 4.351 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)Sc3ccccc32)cc1OC 115360775 MDPHIZZXQMJAMY-AWEZNQCLSA-N 432.498 4.160 5 20 IIBD CCc1cc(N2CCC(C(=O)N3CCC(C)CC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 301068699 FTOIQACSMWHQQZ-UHFFFAOYSA-N 437.544 4.089 5 20 IIBD O=[N+]([O-])c1c(NCc2ccccc2CN2CCN(c3ccccc3)CC2)nc2sccn12 301070721 GQUSMMHLMMVRTH-UHFFFAOYSA-N 448.552 4.238 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(c2ccc3ccc(Cl)c(Cl)c3n2)CC1 302009886 YABLYQZEGDXYAG-UHFFFAOYSA-N 437.308 4.474 5 20 IIBD O=C(Nc1ccccc1NS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-] 303021565 LVASQRXZBVOQBS-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD Cc1cc(=O)c(C(=O)N2CCC[C@H]2CCCc2ccccc2)nn1-c1ccccc1[N+](=O)[O-] 427206921 VHEQIGFAPONSRL-HXUWFJFHSA-N 446.507 4.077 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(CO)c1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 428075698 HUCSJVUXPVKFED-JOCHJYFZSA-N 426.856 4.025 5 20 IIBD COc1ccc(-c2ccc(CN(Cc3ccc(C(N)=O)cc3F)C3CC3)o2)c([N+](=O)[O-])c1 430095628 QJDHCYDTIDZPNM-UHFFFAOYSA-N 439.443 4.266 5 20 IIBD C[C@@H]1C[C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCN1Cc1ccccc1 430664140 IDHAEGPDFBCEPX-VQIMIIECSA-N 431.920 4.186 5 20 IIBD CCN(CCC(=O)O)C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 431448043 WMLPBASSGIQILM-SSZFMOIBSA-N 439.493 4.458 5 20 IIBD CC[C@@H](NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C(=O)O 431651327 ZWXDPPMEOMTAAT-SYCZXOQXSA-N 425.466 4.115 5 20 IIBD CN1C(=O)N(Cc2ccc([N+](=O)[O-])cc2Cl)C(=O)[C@H]1c1cccc(Br)c1 432013349 QNNDHCGVFRQPPP-OAHLLOKOSA-N 438.665 4.146 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSCc1ncc(Br)s1 432519856 PIDVBWDRLITGDK-UHFFFAOYSA-N 430.305 4.045 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N(CCc2ccccc2)Cc2cccnc2)c([N+](=O)[O-])c1 433436932 YBRNEZHDYKLRAU-UHFFFAOYSA-N 441.491 4.204 5 20 IIBD COc1cc(CCNC(=O)N2CC=C(c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])cc1OC 435579808 NEXBSNHPTYGEOM-UHFFFAOYSA-N 445.903 4.307 5 20 IIBD O=C(NCc1ccccc1-c1ccc(Cn2cccn2)cc1)c1ccc(O)c([N+](=O)[O-])c1 436958869 FCFNKXXBDAWQMS-UHFFFAOYSA-N 428.448 4.142 5 20 IIBD COc1cc(C(=O)N(Cc2ncc[nH]2)c2cc(C)ccc2Cl)cc([N+](=O)[O-])c1OC 440906603 UHTQTUYDGSCISC-UHFFFAOYSA-N 430.848 4.144 5 20 IIBD O=C(CCN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)Nc1ccc([N+](=O)[O-])cc1 441101945 HESWAIAZDXJOPQ-LBPRGKRZSA-N 428.436 4.278 5 20 IIBD CCOc1cc(NC(=O)N(CCO)[C@@H]2CCCc3ccccc32)c([N+](=O)[O-])cc1OCC 444039371 SHLZPQGFWIFSBE-LJQANCHMSA-N 443.500 4.296 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H](c1ccccc1)c1ccncc1 445743523 MOSSHESMIDRHOR-FQEVSTJZSA-N 426.270 4.201 5 20 IIBD O=C(NCC1(c2cccc(C(F)(F)F)c2)CCC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 461210711 KSTMNOZIBXUHEF-UHFFFAOYSA-N 436.386 4.237 5 20 IIBD NC(=O)c1ccc(NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1F 461211722 NEXFPORKAJABJL-UHFFFAOYSA-N 431.427 4.298 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1coc(-c2cccs2)n1 462446970 MJPVVDXJASRCPP-UHFFFAOYSA-N 434.282 4.097 5 20 IIBD NC(=O)c1cccc(NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])n1 466430176 GTCIWAHYGVYXEW-UHFFFAOYSA-N 428.857 4.146 5 20 IIBD CCOc1cc(C(=O)NC(C)(C)c2nc(C(F)(F)F)cs2)c([N+](=O)[O-])cc1OC 467002493 YCJBSGIAJJKFHP-UHFFFAOYSA-N 433.408 4.143 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 470115887 CINCGVIGRHKUNV-UHFFFAOYSA-N 441.246 4.031 5 20 IIBD O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 470129670 ZJFDCFUBMIJRKS-UHFFFAOYSA-N 425.338 4.278 5 20 IIBD O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 471273713 QYXQLHQDHXWZHK-QFIPXVFZSA-N 445.519 4.426 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCCOc2ncccc2Cl)cc1[N+](=O)[O-])c1ccccn1 472231575 SUWLDNNCJRLMOK-AWEZNQCLSA-N 441.875 4.020 5 20 IIBD CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 475218053 XXEQNVKXDQBNKT-STQMWFEESA-N 430.427 4.162 5 20 IIBD CCC[C@H](C)N1Cc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc34)c2C1 479148183 PTTKOACGPHZVRG-HNNXBMFYSA-N 440.525 4.448 5 20 IIBD C[C@H](N[C@H]1CCCc2c(O)cccc21)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 484315364 YISYORKGAXGAIT-UGSOOPFHSA-N 438.509 4.418 5 20 IIBD O=C(Nc1ccnc(OCC(F)(F)F)c1)c1sc(Br)cc1[N+](=O)[O-] 486140795 XIUPALZIJDMVHB-UHFFFAOYSA-N 426.170 4.007 5 20 IIBD CC(C)([C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1F)c1ccc(F)c(F)c1)N1CCCC1 486569395 WRAOFANFGWTFNR-OAQYLSRUSA-N 435.446 4.287 5 20 IIBD CN(CC(F)F)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 487446881 OBEVVCOGCANTBG-INIZCTEOSA-N 428.233 4.234 5 20 IIBD CCN(CCOC)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 488729618 WACAEVVGUFMHOG-GOSISDBHSA-N 436.306 4.005 5 20 IIBD O=C(Nc1ccc(CCN2CCSCC2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 489456157 HWEKPEULCFJITO-UHFFFAOYSA-N 440.569 4.039 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 489507170 BKGDUVWYQQJEPV-CQSZACIVSA-N 448.907 4.263 5 20 IIBD C[C@@H](CC(C)(C)c1ccccc1)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 490230971 OQIANTZFQJEWNT-ZDUSSCGKSA-N 435.427 4.007 5 20 IIBD COc1ccc([C@@H](NC(=O)Cn2cc([N+](=O)[O-])nc2C)c2ccc(C(F)(F)F)cc2)cc1 492023808 SOJVURBTSPIHCN-FQEVSTJZSA-N 448.401 4.033 5 20 IIBD Cc1ccc([C@@H](CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)N2CCCC2)o1 494873252 JKLLXOKCLGAYLK-QGZVFWFLSA-N 440.422 4.151 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@@H](c2cccc(Br)c2)C1 500282116 ZYQFMJXRVWFUGZ-MRXNPFEDSA-N 425.666 4.224 5 20 IIBD C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 500841125 OVZBDMCDRKODQT-GOEBONIOSA-N 437.418 4.101 5 20 IIBD Cc1nn(C)c(C(=O)NC2(Cc3ccc(Br)cc3)CCCCC2)c1[N+](=O)[O-] 507064065 HQYHYIVTZKRQHS-UHFFFAOYSA-N 435.322 4.075 5 20 IIBD COc1cc(CN2CCC(n3cc(Cl)cn3)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F 507720384 FBWVYEAOKSQATR-UHFFFAOYSA-N 448.829 4.232 5 20 IIBD Cc1ccc(NC(=O)[C@@H]2CCc3ccccc3N2C(=O)Cc2ccccc2[N+](=O)[O-])cc1 508485892 GFNREMOFIJCKSJ-QHCPKHFHSA-N 429.476 4.432 5 20 IIBD COc1cccc(OC)c1OC1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 510390852 FOJHTEUFIILBRH-UHFFFAOYSA-N 438.427 4.257 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NCCCc2nccs2)c([N+](=O)[O-])c1 510627746 FNGGCBKDSBNQFK-UHFFFAOYSA-N 446.554 4.311 5 20 IIBD COc1ccccc1SC[C@@H](C)CN[C@@H](c1ccc([N+](=O)[O-])cc1)c1nccn1C 513653845 GAIHKPCRQIGBCF-KKSFZXQISA-N 426.542 4.444 5 20 IIBD O=C(c1ccc(C2=CCCC2)cc1)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 516898948 PIUPMNAWCUSLNR-UHFFFAOYSA-N 431.496 4.391 5 20 IIBD Cc1ccc(NC(=O)Cc2noc(CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)cc1 517608039 KCLNMUNLKAGKOM-UHFFFAOYSA-N 449.389 4.141 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1c(Br)cccc1Br 519125133 LMILOKNXIZCRFE-UHFFFAOYSA-N 444.079 4.446 5 20 IIBD Cc1ccc(C[C@@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c2ccccn2)cc1 522334330 XSHISNOMQSCCSV-OAQYLSRUSA-N 427.464 4.198 5 20 IIBD C[C@H](CNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1c(Cl)cccc1Cl 523179460 REEXNQWBFCOUII-SNVBAGLBSA-N 442.324 4.013 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cccc(C[S@](C)=O)c3)cc2[N+](=O)[O-])C1 524546851 TVOBYMUPXMOSAM-KHFRWJKUSA-N 429.542 4.208 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N2CCC(OCC3CCCCC3)CC2)c([N+](=O)[O-])c1 525191469 XGVVXVCMTHCGDO-UHFFFAOYSA-N 426.517 4.125 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@@H](CCO)c3ccccc3)cc2[N+](=O)[O-])n1 532686428 KZCOFJZTMLHRGW-INIZCTEOSA-N 429.523 4.364 5 20 IIBD CN(Cc1ccccc1)CC1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 533275743 QHZWUHILWFKFLL-UHFFFAOYSA-N 430.936 4.031 5 20 IIBD C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 533440280 XTLVWNYNKGNRBT-JLTOFOAXSA-N 431.876 4.008 5 20 IIBD Cc1cnccc1CCNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 534391649 XEQAHIFRKBHGBC-UHFFFAOYSA-N 441.491 4.052 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(F)ccc1N1CCOCC1 537152504 YRIKOOIBTCOBBB-UHFFFAOYSA-N 433.505 4.001 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC=C(c2cccc(C)c2)CC1 538878577 DCPAKPKRXBYSFV-UHFFFAOYSA-N 440.521 4.488 5 20 IIBD C[C@@H](N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 539492684 HDDCRQCBTPBYRQ-MPBGBICISA-N 431.876 4.087 5 20 IIBD COc1cc(C(=O)N[C@H](CO)CC(F)(F)F)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 539982116 ISVXRCFVUAOCOT-LBPRGKRZSA-N 448.781 4.092 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)cc1[N+](=O)[O-] 542073714 OZOGFLAGGJZRNK-GFCCVEGCSA-N 435.427 4.175 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] 542677992 TYIRZQBJUBEZEK-XLIONFOSSA-N 434.489 4.012 5 20 IIBD CCn1cc(S(=O)(=O)N(C)[C@H](c2ccc(Cl)cc2)C2CCCC2)c([N+](=O)[O-])n1 542693043 GXRWEHQWNHOOSO-KRWDZBQOSA-N 426.926 4.017 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CN3CCc4c(Br)ccc(F)c4C3)n2)c1 544529775 PKHBGEOFBHELOC-UHFFFAOYSA-N 433.237 4.105 5 20 IIBD CCN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCN(Cc2ccccc2)C1 544849048 ILDXJLLMGLSJQV-FQEVSTJZSA-N 436.537 4.455 5 20 IIBD COc1cc(Cc2noc([C@@H](C)SCC(=O)Nc3ccc(C)cc3)n2)ccc1[N+](=O)[O-] 547177458 XTAGILNTRYUIBU-CQSZACIVSA-N 442.497 4.319 5 20 IIBD O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 549496908 NTSGQRKEVMSKNT-UHFFFAOYSA-N 425.382 4.147 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(Cc1cccnc1)Cc1ccco1 550319954 VEOOOALRQQAAQN-UHFFFAOYSA-N 430.258 4.496 5 20 IIBD CCCCS(=O)(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 551009192 FSTJQMWPAXUZAI-UHFFFAOYSA-N 445.419 4.408 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)NCc2cccc(-c3ccccn3)c2)cc1[N+](=O)[O-] 551459240 GUAITSIVUFZNOJ-UHFFFAOYSA-N 432.480 4.209 5 20 IIBD CN(C)C[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(Cl)cc1 552025364 QGKLWNBNLKLSRE-LJQANCHMSA-N 447.966 4.270 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 553110882 QBOZRMBOXLXMHI-RDTXWAMCSA-N 446.529 4.106 5 20 IIBD CCC[C@@]1(CO)CCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 558183275 XQDQSBORMCULSJ-RBBKRZOGSA-N 431.920 4.413 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)cc1[N+](=O)[O-] 559678980 PVMLJHQLFPDDCC-JTQLQIEISA-N 445.781 4.271 5 20 IIBD COCCN(Cc1cc(Br)cs1)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 561451120 UDFHIMRAKNJTSQ-GFCCVEGCSA-N 427.320 4.198 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F 564136681 YQQHJBBLDLQBIQ-INIZCTEOSA-N 449.788 4.387 5 20 IIBD COc1ccc([C@@H](C)NC(=O)c2sc(Br)cc2[N+](=O)[O-])c(C)c1OC 569143874 LXTXKANIPSLDSM-SECBINFHSA-N 429.292 4.235 5 20 IIBD C[C@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccc(Oc2cccnc2)cc1 578393576 GVVWOGZGKKHYBC-INIZCTEOSA-N 429.436 4.459 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccc(-c3nc[nH]n3)cc2F)cc1[N+](=O)[O-])c1ccccn1 590537834 SZSFBKHKQIVLDI-CYBMUJFWSA-N 447.430 4.339 5 20 IIBD Cc1ccc(S(=O)(=O)N(Cc2noc(C(C)(C)C)n2)c2cccc([N+](=O)[O-])c2)c(C)c1 603680201 JQSBRJIMXHZGSN-UHFFFAOYSA-N 444.513 4.288 5 20 IIBD COc1cccc(NC(=O)[C@H](c2ccccc2)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 603682772 WFRSOFCMKWGXGE-DEOSSOPVSA-N 446.507 4.105 5 20 IIBD COC(=O)c1ccc(F)c(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1 604128099 NMWFEZZUVRQQBU-OKILXGFUSA-N 429.448 4.255 5 20 IIBD O=C(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)Nc1c(Cl)cccc1C(F)(F)F 608869777 MDVUIJMFMSOPGV-UHFFFAOYSA-N 425.754 4.164 5 20 IIBD COc1ccc(C[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])c2ccccc2)cc1OC 608968468 OEFUIXMYRXVCMD-FQEVSTJZSA-N 435.480 4.124 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(OCCc2ccccc2)CC1 609725079 CEFJZLMIRDGLEN-UHFFFAOYSA-N 432.904 4.267 5 20 IIBD C[C@@H](SCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(=O)Nc1cccc(Cl)c1 609770346 NGFFMUUYVBPNOI-GFCCVEGCSA-N 435.889 4.307 5 20 IIBD CC(C)(C(=O)Nc1cccc(NC(=O)NCc2ccncc2)c1)c1ccc([N+](=O)[O-])cc1 610063308 NZMUXBOXIMPMHC-UHFFFAOYSA-N 433.468 4.228 5 20 IIBD COc1cc(C(=O)NCc2ccc(-c3nc4ccccc4[nH]3)cc2)cc([N+](=O)[O-])c1OC 610197496 QYYOYLIOBWQAEM-UHFFFAOYSA-N 432.436 4.085 5 20 IIBD C[S@](=O)c1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 610575095 AMXFFCLSVIDHHJ-YTTGMZPUSA-N 446.532 4.475 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 610598116 UCMKHZHZWLVKOG-NXEZZACHSA-N 434.720 4.216 5 20 IIBD CN(Cc1cn[nH]c1)[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 610662166 RCWPNGHVFQVQLN-FQEVSTJZSA-N 448.508 4.253 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 611142588 XJTCEFXCQQLBAU-UHFFFAOYSA-N 448.401 4.113 5 20 IIBD COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)cc1 619474709 UJOFJGONTGLRBF-UHFFFAOYSA-N 428.466 4.008 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCC[C@H](C[C@H]2CCOC2)C1 672929763 RVHFDASKYILAAK-HUUCEWRRSA-N 426.463 4.238 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CCc1ccc(Cl)c(Cl)c1 725979100 UCOZDVLOCTZHFA-UHFFFAOYSA-N 427.240 4.025 5 20 IIBD CC(C)[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)N(C)C1CCCCC1 725986373 VCSZZWWKOHVNMX-KRWDZBQOSA-N 441.322 4.330 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Br)N1CCc2ccc(Br)cc21 732747341 PWMHRJCJFFACQY-UHFFFAOYSA-N 426.064 4.323 5 20 IIBD CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 733872918 NXIVMIMNHAJUCO-VBKZILBWSA-N 425.551 4.131 5 20 IIBD COC(=O)c1cc(C(=O)O[C@H](Cc2ccc(Cl)cc2)C(F)(F)F)cc([N+](=O)[O-])c1 733946497 ACWLZGMKMHVBJV-OAHLLOKOSA-N 431.750 4.365 5 20 IIBD COC(=O)c1cc(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc([N+](=O)[O-])c1 735249248 UAYCKERBFOYLDQ-UHFFFAOYSA-N 437.364 4.334 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=S)Nc2ccc(Cl)c(Cl)c2)CC1 740630392 QEEWIJROJSYZTR-UHFFFAOYSA-N 439.324 4.056 5 20 IIBD COc1c([N+](=O)[O-])cc(NC[C@@H](OC)c2ccccc2)c([N+](=O)[O-])c1Br 742391639 ALBLVZPMSWJVKJ-CYBMUJFWSA-N 426.223 4.074 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc(Cc2ccc(Cl)cc2)no1 744766552 KNBIWXOKLHXUDS-JTQLQIEISA-N 432.776 4.048 5 20 IIBD Cc1c(C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 748198987 WSVDTRHQCNBVIA-UHFFFAOYSA-N 446.419 4.267 5 20 IIBD Cc1sc(CCNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)nc1-c1ccccc1 748324206 UQSCNKSHEVXACU-UHFFFAOYSA-N 426.454 4.216 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 750796771 YBBMQEAQCHMFEF-AWEZNQCLSA-N 446.529 4.095 5 20 IIBD C[C@@H](NC(=O)Nc1ccc(OCCNC(=O)OC(C)(C)C)cc1)c1cccc([N+](=O)[O-])c1 752857924 MBPRCXHKYWYRFI-OAHLLOKOSA-N 444.488 4.381 5 20 IIBD CCN(CC1CCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1)C(=O)OC(C)(C)C 754419356 PKRRLIBLRRPLLY-HNNXBMFYSA-N 437.512 4.333 5 20 IIBD CCn1ccnc1[C@@H](CCc1ccccc1)OC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 754735671 HMQPHWGOAGLSHR-OAQYLSRUSA-N 433.468 4.078 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC(C3(C)OCCO3)CC2)c([N+](=O)[O-])c1 756082149 OQZYTDXEFVICQN-QFIPXVFZSA-N 439.512 4.058 5 20 IIBD C[C@@H](CCCC(F)(F)F)NC(=O)c1cc([N+](=O)[O-])ccc1I 756794004 OUMXPFADCLAMOM-QMMMGPOBSA-N 430.164 4.050 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC(c1ccccc1C)c1ccccc1C 760986804 FKMOESJJJIGWRO-UHFFFAOYSA-N 448.475 4.317 5 20 IIBD O=Cc1ccc(OCC(=O)N2CCc3ccccc3[C@@H]2Cc2ccccc2)c([N+](=O)[O-])c1 762392151 GEUSBTZOTGDOLE-QFIPXVFZSA-N 430.460 4.155 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c(Br)c1 762904950 NWVOKQGLXUNADS-LLVKDONJSA-N 446.257 4.331 5 20 IIBD O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCO[C@H](c2ccccc2Br)C1 762971540 NAVHVQXFFBPZSB-KRWDZBQOSA-N 430.258 4.052 5 20 IIBD CC(C)(C)C(=O)Nc1ccc(C(=O)COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cc1 762988911 KOKRWUCKMYBPTK-UHFFFAOYSA-N 444.459 4.422 5 20 IIBD Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 763932256 LBICWWBCEAIDHZ-KXBFYZLASA-N 442.516 4.057 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](c2nnc(S)n2C(C)C)C1 765516607 VJBIMANLSOEXDZ-DLBZAZTESA-N 431.562 4.031 5 20 IIBD CC(C)n1c(S)nnc1CCNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 767965572 YIPMVKRHJOWNTR-UHFFFAOYSA-N 443.554 4.180 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 768325677 TZJGEMHVNBZKPN-GFCCVEGCSA-N 441.793 4.222 5 20 IIBD COc1ccc(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1NS(C)(=O)=O 770514713 YJJTWUHAFFEKIK-UHFFFAOYSA-N 433.511 4.316 5 20 IIBD COc1cc(C(=O)OCc2cccc(NC(=O)OC(C)(C)C)c2)c([N+](=O)[O-])cc1OC 773093119 DCOJJXJGQOXGGH-UHFFFAOYSA-N 432.429 4.316 5 20 IIBD COc1cccc(C(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)c1OC(F)F 773355978 GDXPDYHFWDDSHA-UHFFFAOYSA-N 432.173 4.324 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)OCc1nc(-c2ccccc2Cl)cs1 774929988 KRTNHRHMIPKKCB-UHFFFAOYSA-N 445.884 4.235 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)n1 778525220 UXGKWBOJUWSQMB-QGZVFWFLSA-N 431.876 4.193 5 20 IIBD O=C(Nc1ccccc1C(=O)OCc1ccc(CO)cc1)c1ccc([N+](=O)[O-])cc1Cl 778760805 MBCPLJDBQNUVBE-UHFFFAOYSA-N 440.839 4.350 5 20 IIBD CCn1c(SCC(=O)OCc2ccc([N+](=O)[O-])c(C)c2)nnc1-c1ccccc1C 781171593 MUJLAUXNUYCPBW-UHFFFAOYSA-N 426.498 4.326 5 20 IIBD COC(=O)c1ccc([C@@H](C)OC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)o1 781258204 RJDOQBYUCFJNFK-SNVBAGLBSA-N 427.359 4.257 5 20 IIBD CCN(C(=O)[C@@H](C)OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCCC1 783314793 DWOZTGJWFDVFCR-CQSZACIVSA-N 431.514 4.445 5 20 IIBD COC(=O)c1ccc([C@H](OC(=O)CSc2ccccc2[N+](=O)[O-])C(F)(F)F)cc1 784088963 OEXNIMJIAQBGRN-INIZCTEOSA-N 429.372 4.320 5 20 IIBD O=C(OCCOCC(F)(F)C(F)(F)F)c1csc(-c2cccc([N+](=O)[O-])c2)n1 787678122 PWJHEDRVZRXORU-UHFFFAOYSA-N 426.319 4.089 5 20 IIBD COc1ccc(OC)c2c1CN(C(=O)c1ccc(Nc3ccccc3)c([N+](=O)[O-])c1)C[C@@H]2O 787951275 RBKYRJDRKOKWCF-FQEVSTJZSA-N 449.463 4.045 5 20 IIBD CCCCn1ncc(NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1C(C)C 790423138 XZNGYSIGCOYTGS-UHFFFAOYSA-N 445.339 4.278 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1cccc2c1CN(c1ccccn1)C2 790561051 REAWQUKLNRNHKM-UHFFFAOYSA-N 426.835 4.484 5 20 IIBD CCc1c(C(=O)OC[C@@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])cnn1C(CC)CC 791804992 OVSAOIYOOXPPRV-KRWDZBQOSA-N 442.516 4.176 5 20 IIBD O=C(CC1CCCCC1)NC1CCC(C(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 791824550 JLQNUSAKZCRMAP-UHFFFAOYSA-N 447.488 4.192 5 20 IIBD Cc1nc(COC(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)n[nH]1 795295628 NOUBJLGZZYMPLP-GDNBJRDFSA-N 435.465 4.305 5 20 IIBD C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1nc2ccccc2n1C(F)F 795774256 OOOGLARLRYIAKY-QMMMGPOBSA-N 448.810 4.172 5 20 IIBD O=C(C[C@@H]1CCCC[C@H]1O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 796136218 RCCKLKRPPGOYKO-DLVCFXQMSA-N 446.887 4.412 5 20 IIBD Cc1csc(Sc2ccc(C(=O)OCc3nnc4ccccc4n3)cc2[N+](=O)[O-])n1 798515813 YDSXWXJMDOLLJG-UHFFFAOYSA-N 439.478 4.206 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@H]1COc2cc(F)c(Br)cc21 799948560 WYDHTPHTEIISSP-AWEZNQCLSA-N 444.644 4.083 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 800627415 JYOBYFXWQCFAED-UHFFFAOYSA-N 434.855 4.263 5 20 IIBD C[C@H](OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1cc(Cl)ccc1OC(F)F 802103992 OJIYMQPWDKWNAT-VIFPVBQESA-N 449.815 4.171 5 20 IIBD Cc1csc(Sc2ccc(C(=O)OCCCC(=O)N3CCCCC3)cc2[N+](=O)[O-])n1 805342503 OXBIMRFLPMVWEO-UHFFFAOYSA-N 449.554 4.460 5 20 IIBD C[C@H](O)c1ncc(CN2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)s1 809548116 BUOAEZVWRNHRIO-HNNXBMFYSA-N 444.582 4.151 5 20 IIBD CC(C)([C@H](OC(=O)c1ccnc2ccncc12)c1ccc(Br)cc1)[N+](=O)[O-] 810669436 TXPKGTLOYHUMQC-QGZVFWFLSA-N 430.258 4.346 5 20 IIBD CCOc1cc(Br)c(Cc2nc(CCC(C)(C)[N+](=O)[O-])no2)cc1OCC 812814828 QLXFSAQRIXZGBT-UHFFFAOYSA-N 442.310 4.208 5 20 IIBD O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCN(c2cncc3ccccc23)CC1 813531694 MHCUKJKBXVYTAI-UHFFFAOYSA-N 431.279 4.412 5 20 IIBD COc1c(C(=O)N2CCC[C@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cccc1[N+](=O)[O-] 814426972 BQAXCDNFNCEMTM-IRXDYDNUSA-N 447.532 4.103 5 20 IIBD O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N(CCc1ccccc1)Cc1ccncc1 815008828 PEHOSDRUJICAAL-UHFFFAOYSA-N 449.891 4.216 5 20 IIBD C[C@@H](Cc1cnc2ccccc2n1)C(=O)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 816005495 ONCHOJRQOUXFRN-QMHKHESXSA-N 428.448 4.444 5 20 IIBD Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)O[C@@H](C)C(=O)N2CCC(C)CC2)n1 849132721 RRYRWZUYBSUXOY-AWEZNQCLSA-N 449.554 4.315 5 20 IIBD Cc1ccc(-n2ncc(C(=O)O[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2C)cc1 900654071 WYWILQVBQCRNKQ-CQSZACIVSA-N 442.859 4.235 5 20 IIBD O=C1/C(=C/NNc2ccc([N+](=O)[O-])cc2)c2ccccc2C(=O)N1c1ccccc1Cl 912741826 IJROCOOPQCBUPQ-QGOAFFKASA-N 434.839 4.393 5 20 IIBD O=C(CC[C@H]1CCCO1)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 914971065 PJWMVLDSKUKYHC-OXQOHEQNSA-N 432.860 4.430 5 20 IIBD COc1cc(C2SCCS2)ccc1OC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 915140474 HSKFBRPXIGKQIX-UHFFFAOYSA-N 443.506 4.487 5 20 IIBD COc1ccc(N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1NC(=O)OC(C)(C)C 915224021 ANIDKLXFGBSUMD-CYBMUJFWSA-N 430.461 4.390 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc(O[C@@H](C)c2ccccc2)nc1 919216017 WHNPYXSKFXBVKE-INIZCTEOSA-N 435.436 4.234 5 20 IIBD Cc1ccc(Cl)c(O[C@H](C)C(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 919450058 VNOGHKQRUDEISP-LLVKDONJSA-N 427.240 4.159 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])c2c(C(C)C)noc2n1 920896759 PGKVXVISTQZKJF-UHFFFAOYSA-N 432.820 4.012 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)Oc1ccc(N(C)S(=O)(=O)c2ccc(F)cc2)cc1 921274538 ORAQVQTVYMYLKZ-UHFFFAOYSA-N 444.440 4.087 5 20 IIBD CN(C)S(=O)(=O)c1ccc(CNCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1 1116017484 QFJWNAYSFXFLEU-UHFFFAOYSA-N 449.916 4.048 5 20 IIBD CCc1ccc(C(=O)N2CCCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cc1[N+](=O)[O-] 1255397466 CWHQGNYMICMCEQ-UHFFFAOYSA-N 431.533 4.411 5 20 IIBD CC(C)c1oc(-c2ccccc2)nc1C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 1318021028 LIEBMLPORQIKST-UHFFFAOYSA-N 427.388 4.308 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1cc(N2CCOC2=O)ccc1F 1320885166 FRWHAIAPGIZPCS-UHFFFAOYSA-N 425.825 4.075 5 20 IIBD CN(Cc1cc2ccccc2[nH]1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 1322783263 ZCDRBGCDKBZJBD-INIZCTEOSA-N 432.484 4.008 5 20 IIBD COC(=O)[C@@H](OC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccccc1Cl 1322970769 YDUPCOOSVORRKC-HNNXBMFYSA-N 447.749 4.260 5 20 IIBD O=C(COCc1ccncc1)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 1323623154 YWSVQDMIAFIRJB-UHFFFAOYSA-N 445.834 4.408 5 20 IIBD COc1ccc(-c2nnc(N(Cc3ccccc3[N+](=O)[O-])C3CC3)n2C[C@@H]2CCOC2)cc1 1324252168 SAWGFISVZMEBCR-KRWDZBQOSA-N 449.511 4.067 5 20 IIBD COc1cc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(Cl)c1OC 1337787340 XDZAWDCCSWSVTM-UHFFFAOYSA-N 436.895 4.142 5 20 IIBD Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccoc2)cc(Cl)cc1[N+](=O)[O-] 1794192446 TYBWDJYOPQEONS-ONRPKVDWSA-N 443.887 4.115 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@H]1CC=CCC1 1801207338 WPCDGWOXXNHGIU-OWLYRPNTSA-N 439.537 4.418 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2)[nH]n1)c1ccc([N+](=O)[O-])cc1F 1821052318 IZHKYTSTVVXSJE-IBGZPJMESA-N 437.431 4.077 5 20 IIBD CC[C@H]1CC[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])[nH]3)[nH]n2)CC1 1822225864 UBRDVKWRGYKFLD-MPGHIAIKSA-N 442.520 4.168 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1Cc1ccccc1)Nc1cc([N+](=O)[O-])ccc1F 16458749 LEEYOUKCPSKSJS-UHFFFAOYSA-N 425.372 4.250 5 20 IIBD C[C@H](OC(=O)CCSc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 21679954 GTHRQOLMORFVOH-NSHDSACASA-N 426.853 4.440 5 20 IIBD C[C@H](Oc1cccc(Cl)c1)C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 24790300 WGHZBABRGYOAMF-JTQLQIEISA-N 446.765 4.216 5 20 IIBD Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NCCNc3ccccc3[N+](=O)[O-])c12 26915061 QVIXAWSXNSOYNG-UHFFFAOYSA-N 435.415 4.087 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)OCc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 28305389 IFPSDJPXQMBGEF-UHFFFAOYSA-N 438.387 4.250 5 20 IIBD O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)NCCc1ccc([N+](=O)[O-])cc1 65123882 LGQWBWHYABREEF-UHFFFAOYSA-N 438.867 4.217 5 20 IIBD C[C@@H](CCc1ccc(Br)cc1)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 109271142 HMQADNXNOGIKSB-AWEZNQCLSA-N 443.301 4.294 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)CCOc1ccc(Cl)cc1Br 195714938 JXUIPEPPPWEJBJ-UHFFFAOYSA-N 427.682 4.438 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)COc1ccc(Br)cc1F 248056778 OQBKAGFEAAQYCQ-UHFFFAOYSA-N 431.645 4.187 5 20 IIBD O=c1c(Cl)c(N2CCO[C@@H](c3cccc(Cl)c3)C2)cnn1-c1ccc([N+](=O)[O-])cc1 302228168 XGLCYDRYBLTLFY-GOSISDBHSA-N 447.278 4.025 5 20 IIBD O=C(Cc1csc(-c2ccccc2Cl)n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 302646738 DGHPMXUYLOBYRL-UHFFFAOYSA-N 442.928 4.263 5 20 IIBD O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 303944168 XXBXDBDUUUPDQL-GOSISDBHSA-N 442.947 4.250 5 20 IIBD O=C(Nc1ccc(I)cc1Br)c1ccccc1[N+](=O)[O-] 383496805 YOPCGDATTHTSHC-UHFFFAOYSA-N 447.026 4.214 5 20 IIBD COCCOc1cc(OC)ccc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 409540197 ZFYNUTZSARPVPK-UHFFFAOYSA-N 429.454 4.004 5 20 IIBD Cc1ccc(-c2nn(CCC(=O)Nc3ccccc3[N+](=O)[O-])c(=O)c3ccccc23)cc1 409852401 FXFOVVWEVVWXNI-UHFFFAOYSA-N 428.448 4.309 5 20 IIBD O=C(c1cccn1-c1c(Cl)cccc1Cl)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 410001265 VNEUHAJOODYZHV-UHFFFAOYSA-N 434.283 4.366 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccnc(N3CCc4ccccc4C3)c2)c(Cl)c1 427636153 JIYFTZVEBSTNDY-UHFFFAOYSA-N 444.900 4.007 5 20 IIBD C[C@H]1CCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])[C@@H](C(N)=O)C1 428623178 OOLJTEWYRGFCPT-BLLLJJGKSA-N 433.917 4.125 5 20 IIBD COc1cc(C(=O)N2CCc3cccc(C)c3C2)c([N+](=O)[O-])cc1OCc1cscn1 429218326 CREQQZFFKIXVEF-UHFFFAOYSA-N 439.493 4.146 5 20 IIBD COc1ccc(Br)c(CN(C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 429315290 XRQDZCVXVSUWQV-UHFFFAOYSA-N 436.306 4.135 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] 430652945 YKHSXNQSECMQHM-FXAWDEMLSA-N 443.569 4.006 5 20 IIBD CCN([C@H](c1cccnc1)c1ccc(F)c(F)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C 431912692 PHPMARRISWTXEI-NRFANRHFSA-N 447.463 4.377 5 20 IIBD O=[N+]([O-])c1cccc(/C=C/c2nc(O)c3cnn(-c4cccc(Br)c4)c3n2)c1 434939275 RBYIEFCJCSHNIX-BQYQJAHWSA-N 438.241 4.362 5 20 IIBD Cc1csc([C@H]2COCCN2C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)n1 435330413 SMRXOCLCCVEMFK-CQSZACIVSA-N 441.307 4.036 5 20 IIBD CCCCN1CCCC[C@@H]1CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436290917 JWECYAGZKRRDHS-QGZVFWFLSA-N 427.495 4.344 5 20 IIBD O=C1Nc2cc(Cl)ccc2S[C@@H]1CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437473992 NIFSHTBNRBJOTF-GOSISDBHSA-N 431.901 4.242 5 20 IIBD CC[C@H]1Oc2cc([C@@H](C)NC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)ccc2NC1=O 437989477 CXAVXSOCBYXDBU-JLTOFOAXSA-N 438.484 4.140 5 20 IIBD COc1ccc(Br)cc1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 438014986 VNQDCKZEDZFOPP-UHFFFAOYSA-N 434.290 4.240 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1cccc(N2CCCCCC2)c1 438661126 PWYGBQYJZCTZLW-UHFFFAOYSA-N 438.528 4.351 5 20 IIBD C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 441085592 BVTMMSTZTKTVAL-NWDGAFQWSA-N 428.436 4.277 5 20 IIBD CCCN(C(=O)CCc1ccc(S(=O)(=O)N(CC)CC)cc1)c1cccc([N+](=O)[O-])c1 441464784 OBVZOZOKXYQEHS-UHFFFAOYSA-N 447.557 4.001 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NCc2cccc(COCC(F)(F)F)c2)c([N+](=O)[O-])c1 441968529 YLFPHXFRDWOLMC-UHFFFAOYSA-N 448.401 4.250 5 20 IIBD CCN(C[C@@H]1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1)CC(F)(F)F 444093353 ANXXJGBVMKZJGS-AWEZNQCLSA-N 449.448 4.167 5 20 IIBD Cc1ccc(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c(O[C@@H]2CCOC2)c1 444230587 ZYHGOWBTSDWXPN-LJQANCHMSA-N 428.488 4.087 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 444720674 CTTTWEVYXKHJQN-OAQYLSRUSA-N 431.448 4.406 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F 444810096 BNURWBLBLYLMHD-MRXNPFEDSA-N 435.761 4.228 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 444906012 RWTXGMDVPDTONA-UHFFFAOYSA-N 435.362 4.130 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccccn2)c(C(F)(F)F)c1 446967701 SYGUSMYCDFTDHL-GOSISDBHSA-N 437.399 4.077 5 20 IIBD C[C@@H](CCc1ccccc1[N+](=O)[O-])NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 447090617 LYWDOYWTZWAQQI-ZDUSSCGKSA-N 430.448 4.128 5 20 IIBD COC(=O)[C@H](CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])c1ccc(F)cc1 447689880 UQPRMMBBHWQEGN-LLVKDONJSA-N 437.296 4.152 5 20 IIBD COc1cccc(N2CC[C@@H](Nc3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])C2)c1 447691595 TWEQZTZLPDRGOH-LLVKDONJSA-N 432.349 4.343 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 460213656 FETSYKJEUBNEEI-ROUUACIJSA-N 447.417 4.204 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c(Cl)c1Cl 460426322 OBJSXQNIGMALAA-UHFFFAOYSA-N 443.211 4.312 5 20 IIBD CO[C@@]1(C)CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cccs2)CC1 461312359 WOXPGVNVOZTTKK-NRFANRHFSA-N 427.530 4.359 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)c1nn(-c2ccc(F)cc2)cc1Br 464725149 VGBDBMHNRNADOI-UHFFFAOYSA-N 433.237 4.497 5 20 IIBD CC[C@H](NC(=O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Cl)cc1 464772150 GBIOFMAFHOLADY-NRFANRHFSA-N 431.920 4.359 5 20 IIBD Cc1ccc(NCCCNC(=O)NC(C)(C)c2nc(C(F)(F)F)cs2)c([N+](=O)[O-])c1 465982953 NMHKDWDWLUQMTQ-UHFFFAOYSA-N 445.467 4.415 5 20 IIBD CCNC(=O)Nc1cccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1C 468823114 FFOSKRPHOREEPR-UHFFFAOYSA-N 425.470 4.420 5 20 IIBD CC(C)Oc1ccc(-c2cccc([C@@H](C)N(C)C[C@H](O)Cn3cc([N+](=O)[O-])cn3)c2)cc1 470158707 MSHAQHOQQUFYPF-JPYJTQIMSA-N 438.528 4.299 5 20 IIBD CC[C@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1OC)C1CCOCC1 470868648 PCSOKMLVMJCHCD-KRWDZBQOSA-N 449.529 4.021 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)NC1(c2cc(C(F)(F)F)ccc2Cl)CC1 472685679 UZOZOLDAAWHYSX-UHFFFAOYSA-N 445.756 4.150 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccc(-c2ccc(F)cc2)cc1 472699437 AQIYPKZMMJUKRZ-CYBMUJFWSA-N 425.391 4.356 5 20 IIBD C[C@H]1CCCCN1CCC1CCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC1 477170962 NXZMNWWFQFEHSQ-SFHVURJKSA-N 439.560 4.040 5 20 IIBD CCCCn1ccnc1-c1cccc(NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)c1 478631839 JNPGQSJSZNNGTM-MRXNPFEDSA-N 435.484 4.015 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N3C[C@H](C)O[C@H](C4CC4)C3)c([N+](=O)[O-])c2)c(C)c1 480395314 QKMOALWCBDPLBE-AOMKIAJQSA-N 445.541 4.016 5 20 IIBD Cc1ccc([C@H](C)NCc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)cc1[N+](=O)[O-] 481301380 YQHSGRWGOBRCIW-WMZOPIPTSA-N 431.558 4.175 5 20 IIBD CC[C@@H](CN(CC)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 482268768 ZTIQSPYIHIGBDA-WMZOPIPTSA-N 429.542 4.303 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[C@@H]2c2ccc(Br)c(F)c2)s1 485404242 JGVWEMRILUJNRD-GFCCVEGCSA-N 449.323 4.303 5 20 IIBD CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 485556063 ZGTUFHVYYIGJBE-UHFFFAOYSA-N 445.541 4.161 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1nccn1Cc1ccccc1Cl 486459132 KDDHMUBNILNPLF-UHFFFAOYSA-N 437.843 4.059 5 20 IIBD C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 486726553 XJAKSCXVZHZVAB-ZPMCFJSWSA-N 435.524 4.038 5 20 IIBD O=C(Nc1cccc(COc2cccc(F)c2)c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 487866914 CHKVJXGECIAYJD-UHFFFAOYSA-N 439.447 4.378 5 20 IIBD Cc1ccc(-n2cnc3c2CCN(CCc2ncc(-c4cccc([N+](=O)[O-])c4)o2)C3)cc1 487979595 CQYHIRAAUADBGO-UHFFFAOYSA-N 429.480 4.345 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] 489230894 BFVBCEMZDKTQGM-MRXNPFEDSA-N 440.521 4.379 5 20 IIBD O=C(CCc1nc2cc(C(F)(F)F)ccc2s1)NCCNc1ccc([N+](=O)[O-])cc1 499695050 XGARGVIJRXAZIB-UHFFFAOYSA-N 438.431 4.384 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2cccnc2)c2ccc(Br)cc2)cc1 500476856 XQEXDBOHJNLLRN-UHFFFAOYSA-N 448.298 4.148 5 20 IIBD Cc1ccc(O)c(C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)c1 500744702 YKLCHSYGUHYMCZ-UHFFFAOYSA-N 437.521 4.295 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCOC[C@H]2c2noc(-c3ccccc3)n2)cc1[N+](=O)[O-] 501910621 DQFRNYJNEDMRFF-IBGZPJMESA-N 436.468 4.156 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CCN(c2ccc(Br)cc2)C1 507934057 UHQIIWWKDJKABW-HNNXBMFYSA-N 434.334 4.372 5 20 IIBD CNC(=O)c1ccc(NC[C@@H](c2ccccc2)N2CCc3sccc3C2)c([N+](=O)[O-])c1 512709143 YKNNHLZECXHCJB-NRFANRHFSA-N 436.537 4.227 5 20 IIBD Cc1cccc(Oc2ccc(NC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)cn2)c1C 513476128 OQHQVUXRUADGGU-UHFFFAOYSA-N 441.465 4.055 5 20 IIBD O=C(NCc1ccc(-n2cccn2)cc1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 514449508 AWEFXBRHVHSYNQ-UHFFFAOYSA-N 427.464 4.323 5 20 IIBD Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C 515630741 FRJYMYNJSFFIDI-GASCZTMLSA-N 445.541 4.131 5 20 IIBD C[C@H](c1ccc(F)cc1)N1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)C1=O 516880380 RDKUGUUTVNNEPL-BDJLRTHQSA-N 437.269 4.056 5 20 IIBD Cc1nn(-c2ccc(Br)cc2)c(C)c1CNCCOc1ccc([N+](=O)[O-])cc1 518300040 IOZJMHXJESHJRB-UHFFFAOYSA-N 445.317 4.328 5 20 IIBD C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2F)cc1 519877083 BHYHYUJCGNRSEJ-HUUCEWRRSA-N 429.448 4.155 5 20 IIBD CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 520317336 UOFMEAQVLXXQRS-CYBMUJFWSA-N 428.876 4.439 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCc2nccn2C(F)F)cc1[N+](=O)[O-] 521577129 XBVNDQVPDWUUPY-UHFFFAOYSA-N 446.435 4.069 5 20 IIBD Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)ccc1OC1CCOCC1 523490241 ANZOKIRSMKYTOS-UHFFFAOYSA-N 435.274 4.476 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1 525147897 DIVKHOLGWPUPTA-UHFFFAOYSA-N 446.250 4.125 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](COc2ccccc2Cl)C1 532828091 WTMMGBYLNLOXPY-INIZCTEOSA-N 447.919 4.376 5 20 IIBD O=C(Nc1ccccc1)[C@@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccccc1 533350253 MSLQHSHCROZSIL-NRFANRHFSA-N 429.436 4.114 5 20 IIBD O=C(Nc1nnc(Cc2ccc(F)cc2)s1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 533472778 WLEWNEBGXYBKAG-UHFFFAOYSA-N 427.461 4.373 5 20 IIBD Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534792512 DIHSWZBURFNXOI-UHFFFAOYSA-N 444.513 4.199 5 20 IIBD Cc1ccc([C@H](C)NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] 535378592 RFORUQZELSGITI-VHPWJVAPSA-N 433.867 4.093 5 20 IIBD O=C(Cc1c(Cl)cccc1Cl)NCCCNc1ncnc2ccc([N+](=O)[O-])cc12 537977756 UBWSUCJVDVTCBW-UHFFFAOYSA-N 434.283 4.006 5 20 IIBD O=C(NCCCOc1cccc2cccnc12)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 538346467 SFBWFRLYZNLMCJ-UHFFFAOYSA-N 428.448 4.404 5 20 IIBD O=[N+]([O-])c1cc(CN2CC[C@H](CN3CCOCC3)C2)ccc1Oc1ccccc1Cl 539835039 CKDIFTBZXSJTJH-GOSISDBHSA-N 431.920 4.195 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 540780688 NCMTWNJRYPETTO-OALUTQOASA-N 449.429 4.186 5 20 IIBD COc1ccc([C@H](C)NC(=O)CSc2ccccc2[N+](=O)[O-])cc1Br 541294690 UNAFCHCKZALTQB-NSHDSACASA-N 425.304 4.335 5 20 IIBD C[C@H](NC(=O)CSc1ccccc1[N+](=O)[O-])[C@@H](OC1CCOCC1)c1ccccc1 544089245 CMURULFSYJUGCP-KSFYIVLOSA-N 430.526 4.129 5 20 IIBD COc1ccc(CSCc2nc(Cc3csc([C@H](C)OC)n3)no2)cc1[N+](=O)[O-] 545821262 TVHDKTRQXCKEHB-NSHDSACASA-N 436.515 4.175 5 20 IIBD Cc1cc(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)nn1-c1ccc(F)cc1F 546382386 BIYFFWFBCKTEBB-UHFFFAOYSA-N 426.383 4.072 5 20 IIBD CC(C)c1ccc([C@@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])N2CCc3sccc3C2)cc1 548930250 HQAWBEDAAKBJBO-LJQANCHMSA-N 439.541 4.032 5 20 IIBD CN(C)[C@H](CN[C@@H](c1ccc([N+](=O)[O-])cc1)c1nccn1C)c1cccc(C(F)(F)F)c1 552066426 JFVKRFUCJDLZMG-UXHICEINSA-N 447.461 4.329 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 557118923 XWNSOPWHRIYTIY-RDPSFJRHSA-N 445.475 4.419 5 20 IIBD CCOC(=O)c1sc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)nc1C(F)(F)F 562323287 FHBSJWOWGMORRQ-QMMMGPOBSA-N 449.432 4.366 5 20 IIBD O=C1CSc2ccc(C(=O)Nc3ccc(OCc4ccccc4)cc3[N+](=O)[O-])cc2N1 565402010 DPAFEGKSLYUUJB-UHFFFAOYSA-N 435.461 4.470 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(Cc1ccnc(-c3ccc(Br)cc3)n1)CCO2 565627618 UGSQAMKSKNQDPX-UHFFFAOYSA-N 441.285 4.209 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCc3nc(-c4ccccc4Cl)sc3C2)c([N+](=O)[O-])c1 568687140 AVVIOUSRHAWHIW-UHFFFAOYSA-N 449.941 4.427 5 20 IIBD COc1ccc(C[C@H]2CCCN(C(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)C2)cc1 571967072 KXHGPHAAJVSBOC-GOSISDBHSA-N 434.496 4.099 5 20 IIBD CC(C)(NC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1ccccc1[N+](=O)[O-] 576776736 AOAUFDFRTHCCPY-HNNXBMFYSA-N 449.429 4.014 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@H]3CC[C@@](O)(C(F)(F)F)C3)cc2[N+](=O)[O-])n1 590433883 UGJLZDMQSPBTSE-ZBEGNZNMSA-N 447.460 4.087 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3c(O)n[nH]c3-c3ccccc3)cc2[N+](=O)[O-])C1 590561712 FQHJZQFJCUQGPX-HUUCEWRRSA-N 435.484 4.425 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 603500762 ZLMSYMZWFAQGRM-UHFFFAOYSA-N 445.541 4.417 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCc3ccccc3C(F)(F)F)cc2)c(C)c1[N+](=O)[O-] 603507334 WOJVDXGUNGCDDT-UHFFFAOYSA-N 432.402 4.405 5 20 IIBD COc1cc(CCNC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC 603802153 YEAOTDXGOJZDFN-QGZVFWFLSA-N 433.892 4.355 5 20 IIBD CCOc1cc(Br)c(NC(=O)c2ccc(NC)c([N+](=O)[O-])c2)cc1OCC 604348208 QPYKHZQKABAVSS-UHFFFAOYSA-N 438.278 4.449 5 20 IIBD CCn1c(CCNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)nc2ccccc21 604482731 CFGNOVAJMHKPAK-UHFFFAOYSA-N 435.528 4.173 5 20 IIBD COc1ccc(CNC(=O)NCC(C)(C)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 608914462 PFYTYSSRNTUVTE-UHFFFAOYSA-N 425.407 4.399 5 20 IIBD COc1ccc(C[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)c2ccccc2)cc1OC 608984745 VBNBBPMQIWJRNB-OAQYLSRUSA-N 435.480 4.395 5 20 IIBD COc1ccc(CC(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)cc1[N+](=O)[O-] 609010699 DAMOTVPVQJRHRU-UHFFFAOYSA-N 436.420 4.092 5 20 IIBD CCOC(=O)c1cc(-c2nc(-c3ccc(OCc4cccnc4)cc3)no2)cc([N+](=O)[O-])c1 609475533 GJSKSVDVZLORRW-UHFFFAOYSA-N 446.419 4.463 5 20 IIBD CCc1ccc(N(C(C)=O)c2nc(Cn3cc([N+](=O)[O-])cc(Cl)c3=O)cs2)cc1 609905494 RCLRVFGJOTWNKU-UHFFFAOYSA-N 432.889 4.162 5 20 IIBD COc1cc(C(=O)N[C@H](C)Cc2ccc(C)s2)c([N+](=O)[O-])cc1OCc1cscn1 609981427 HSCXGKIZVSWBFH-GFCCVEGCSA-N 447.538 4.370 5 20 IIBD Cc1c(C(=O)Nc2ccc(F)cc2OC2CCCC2)nnn1-c1cccc([N+](=O)[O-])c1 610912174 CDWAKJJTSCVXOT-UHFFFAOYSA-N 425.420 4.197 5 20 IIBD Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 611052030 NTYZHWJXCOJCGI-JOCHJYFZSA-N 438.915 4.134 5 20 IIBD O=C(c1cnc2ncc(Br)cc2c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 614860583 AEOBRPKLWUWINN-UHFFFAOYSA-N 427.258 4.105 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(Br)cc1C(C)C 619467856 JOAQAIVQDLRRAN-UHFFFAOYSA-N 429.292 4.290 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 620492842 NCBVNQGQTBKFHR-QGZVFWFLSA-N 447.485 4.076 5 20 IIBD C[C@@H](OC(=O)Cc1csc(C(C)(C)C)n1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 726835494 WTJYYQHTLSMRBO-SNVBAGLBSA-N 425.894 4.115 5 20 IIBD Cc1sc(NC(=O)C(C)C)c(C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1C 727530207 ZGJGVYVJVLQPKP-UHFFFAOYSA-N 444.469 4.275 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCC(N(C)C)CC2)c(F)c1 728256444 CGABTDRVRVYFOL-OAHLLOKOSA-N 446.548 4.384 5 20 IIBD O=[N+]([O-])c1cccc(-c2nccc(/C=C\c3csc(-c4ccc5c(c4)OCO5)n3)[n+]2[O-])c1 728440315 MMFFLTYVLNOPGM-WAYWQWQTSA-N 446.444 4.313 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1nc(-c2ccccc2)cs1 730507410 RZMBJDNDJKUBSS-OAHLLOKOSA-N 438.509 4.046 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 731054830 IRRJQYAFXXEUKU-FQEVSTJZSA-N 441.484 4.443 5 20 IIBD CCN1C(=S)N[C@@H](c2cc([N+](=O)[O-])c(F)cc2F)C(C(=O)Nc2ccccc2)=C1C 731420306 JFGNMIGHHGDEKW-SFHVURJKSA-N 432.452 4.037 5 20 IIBD O=Cc1ccc(OCC(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)c([N+](=O)[O-])c1 731604491 OOZPVJKVNJWWJF-TWLNZGNHSA-N 442.471 4.200 5 20 IIBD NC(=O)c1ccc(SCC(=O)O[C@@H](c2cncc(F)c2)C2CCCCC2)c([N+](=O)[O-])c1 731776031 UFCHDTCTKAMPAU-HXUWFJFHSA-N 447.488 4.185 5 20 IIBD COC(=O)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)Cc1cccc2ccccc12 733363884 LRROGQZIUALZIF-MRXNPFEDSA-N 426.856 4.163 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)C1(Sc2ccccc2)CCCC1 733556821 USATXWMWNHMXTR-UHFFFAOYSA-N 430.482 4.190 5 20 IIBD O=C(OCCCOc1cccc(C(F)(F)F)c1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 735352001 GHBSYLQKPXMVNG-UHFFFAOYSA-N 436.342 4.493 5 20 IIBD O=C(c1cccc2ccccc12)N1CCN(Cn2c(=S)oc3ccc([N+](=O)[O-])cc32)CC1 738022949 PALNCIHJMQBKSP-UHFFFAOYSA-N 448.504 4.441 5 20 IIBD CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCC(C(=O)c2cc(F)ccc2F)CC1 740865719 NBZXHWCAOWFHQJ-UHFFFAOYSA-N 436.386 4.288 5 20 IIBD CC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc(I)c([N+](=O)[O-])c1 741967806 ZJRIMRHZOFBQGN-HNNXBMFYSA-N 438.265 4.293 5 20 IIBD O=[N+]([O-])c1cc(F)ccc1OS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 742288625 KKSJUAGPVKWPES-UHFFFAOYSA-N 444.156 4.283 5 20 IIBD CC(C)NC(=O)c1ccc(N[C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 742418859 XFJXMNXATSCSNG-SJORKVTESA-N 434.537 4.228 5 20 IIBD CC[C@@]1(C)CCCN(C(=O)c2ccc(OS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)C1 742862093 ZEQWADIAEFCROM-QFIPXVFZSA-N 446.525 4.323 5 20 IIBD C[C@H](OC(=O)c1cn(C)nc1C1CCCCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 744930509 UWBHFJKUCXMYBD-ZDUSSCGKSA-N 425.445 4.344 5 20 IIBD O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1CCC[C@@H](c2nc3ccccc3s2)C1 747076406 UXLSIFKOWNBMMM-QGZVFWFLSA-N 447.520 4.265 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1C[C@H]1c1cccc(Br)c1 747521391 OMYRKCFZBSXGFL-JKSUJKDBSA-N 444.241 4.254 5 20 IIBD COc1ccc(-c2ccc(/C=C3\NC(=S)N(Cc4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 747990063 PXKANWDKLFVTTQ-WQRHYEAKSA-N 435.461 4.121 5 20 IIBD Cc1c(C(=O)N(Cc2cccc(F)c2)C[C@@H]2CCCO2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748638391 BHYYCCRVCUSCQJ-KRWDZBQOSA-N 431.420 4.080 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)ccc1N1CCSCC1 749818438 MFPMLPYABMAGBA-UHFFFAOYSA-N 430.486 4.234 5 20 IIBD O=C(NCc1ccc(OC2CCCCC2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 749818902 VJPMBPBVEVYLHR-UHFFFAOYSA-N 439.512 4.073 5 20 IIBD Cn1c(C(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)ccc1-c1ccc(F)cc1 750434680 LXSMEYNJYWUXTR-UHFFFAOYSA-N 438.459 4.208 5 20 IIBD COc1ccc2oc(C(=O)OCC3CCN(c4ccc([N+](=O)[O-])cn4)CC3)c(C)c2c1 750435521 WWIKFJUMMFJWOZ-UHFFFAOYSA-N 425.441 4.126 5 20 IIBD Cc1cc(F)cc(C(=O)OCc2csc(CC(=O)Nc3ccccc3)n2)c1[N+](=O)[O-] 752556558 BYADCAJOBZRJRJ-UHFFFAOYSA-N 429.429 4.037 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@H](COc3ccccc3Cl)C2)cc1[N+](=O)[O-] 754381448 DTGGTAAAIGYLTG-AWEZNQCLSA-N 433.848 4.396 5 20 IIBD COc1cc(NC2CCN(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc(OC)c1 754421701 GDYWZTUURHMXBP-UHFFFAOYSA-N 434.880 4.374 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 754988664 OWZJIYSQLRJVMD-QMMMGPOBSA-N 436.739 4.264 5 20 IIBD Cc1ccc([C@@H](CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)N2CCCC2)o1 755029788 ZPAJCLLWJBPLJV-MRXNPFEDSA-N 437.294 4.217 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 757090580 MAEMCCLJUNPHJM-JOCHJYFZSA-N 435.505 4.373 5 20 IIBD Cc1c(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cnc(Cl)c1Br 758947769 ZXTXPIDFPOGJFX-UHFFFAOYSA-N 441.090 4.168 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1cnc(Cl)c(Br)c1 759154359 AATPCXGVYYYNNA-UHFFFAOYSA-N 449.486 4.349 5 20 IIBD Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 759773415 QCCJUBRWPRKLBU-LJQANCHMSA-N 445.951 4.135 5 20 IIBD CN(CC(C)(C)C)C(=O)c1cccc(C(=O)O[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 759937924 JDZKCWCJUXUCKE-OALUTQOASA-N 442.516 4.250 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2OC(F)F)CC1 760468448 SPEMANLAMJHKSG-UHFFFAOYSA-N 445.344 4.177 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)c1F 762446917 BVBANDRUWDYHHP-UHFFFAOYSA-N 444.366 4.048 5 20 IIBD COC(=O)c1ccc(-c2nc(COC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)cs2)cc1 763421310 TZIPFIXJGWXTSR-CYBMUJFWSA-N 426.450 4.352 5 20 IIBD O=C(c1cc(F)c([N+](=O)[O-])cc1F)N1CCOc2cc(Br)c(Cl)cc21 763505289 TVKULKZOKNVJBX-UHFFFAOYSA-N 433.592 4.328 5 20 IIBD CON(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H]1CCCOc2ccccc21 764397491 XROVFZKSCQMJRN-IBGZPJMESA-N 425.485 4.115 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCC(N(C)C)CC2)c(F)c1 765035575 TVKODAQTQNMEFW-SFHVURJKSA-N 442.535 4.472 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(Cc3cn(-c4ccccc4)nc3-c3ccncc3)CC2)cc1 768149313 DNSOBTLVURHYJL-UHFFFAOYSA-N 440.507 4.165 5 20 IIBD O=C(OC[C@H]1CCO[C@@H]1c1ccccc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 769337477 DXNJCWWBZRZRIT-RDTXWAMCSA-N 425.359 4.471 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1sc(Br)cc1[N+](=O)[O-] 770127108 AURGIEDTGRFFHE-UHFFFAOYSA-N 434.655 4.253 5 20 IIBD Cc1cc(C)c(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(Br)c1 770271109 BXHMZCYFMUHNFH-UHFFFAOYSA-N 433.306 4.328 5 20 IIBD CCCN(C(=O)c1ccccc1NC(=O)c1cc(C(=O)OCC)cc([N+](=O)[O-])c1)C(C)C 771521846 VTCOLQDLCFVKMY-UHFFFAOYSA-N 441.484 4.284 5 20 IIBD COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1OC[C@H](O)c1ccc(F)c(Br)c1 774649596 UQGGKAITWYTJKS-AWEZNQCLSA-N 448.628 4.049 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)C 775488806 NZSCNYWYEJFCFA-MRXNPFEDSA-N 425.551 4.374 5 20 IIBD CN(C(=O)CCOc1ccccc1[N+](=O)[O-])c1nc(-c2ccccc2[N+](=O)[O-])cs1 775496712 USTYVORPUQIXAR-UHFFFAOYSA-N 428.426 4.058 5 20 IIBD Cc1ccc(-n2nc(C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2C)cc1 777156434 OWPBTTNXJHLNHI-CQSZACIVSA-N 442.859 4.235 5 20 IIBD COC(=O)C1CCC(OC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 777367894 UMOAVXZPJFTLNV-HPUBIQBYSA-N 427.457 4.052 5 20 IIBD C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc(OCc2noc(C3CC3)n2)cc1 777689452 VAFZBHOCEPLIQE-AWEZNQCLSA-N 437.456 4.263 5 20 IIBD CCCC1=C(C(=O)OCC)[C@@H](c2ccc([N+](=O)[O-])cc2F)NC(=O)N1Cc1nccs1 777947211 RCHRPPMSGBUIAU-GOSISDBHSA-N 448.476 4.074 5 20 IIBD CC(=O)N(c1ccc(C)c(C)c1)c1nc(COC(=O)c2c(N)cccc2[N+](=O)[O-])cs1 778141237 PXOFKPYRCAAEMW-UHFFFAOYSA-N 440.481 4.292 5 20 IIBD CN(C(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])c2nsnc2c1)C1CCCCC1 778245496 HHDCRVVRSSVSRY-UHFFFAOYSA-N 439.497 4.257 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1ccc2c(c1)OCCCO2 780283677 YJGIXNJFQGAYOW-UHFFFAOYSA-N 446.481 4.054 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 781004012 IRAWEIBZRLHTMT-WBVHZDCISA-N 435.524 4.057 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCc1ccnc(Oc2ccc(F)cc2)c1 781625053 VHJLGUXZJKXPDW-UHFFFAOYSA-N 440.387 4.078 5 20 IIBD Cc1nc(CNC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)oc1-c1ccc(Cl)cc1 782009528 HSPLDXUOUBXNIZ-SFHVURJKSA-N 440.843 4.021 5 20 IIBD COC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)OC(=O)c1cccc(Cl)c1[N+](=O)[O-] 783169835 RFZSGQVPXNSCQA-CQSZACIVSA-N 431.750 4.208 5 20 IIBD O=C(COC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)Nc1cccc([N+](=O)[O-])c1 783956812 FQLHMMUXDMHPOF-UHFFFAOYSA-N 435.314 4.064 5 20 IIBD O=[N+]([O-])c1cccc(-c2nccc(/C=C/c3cnn(Cc4ccccc4)c3Cl)[n+]2[O-])c1 789126181 CNDQSGMAMNMZBF-MDZDMXLPSA-N 433.855 4.359 5 20 IIBD C[C@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1ccc(NC(=O)NC2CC2)cc1 790537220 ABSDIYLWBHBHQN-NSHDSACASA-N 434.855 4.091 5 20 IIBD O=C(NCc1cc2ccccc2o1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 790672099 KOBYUQPDLWPZSI-UHFFFAOYSA-N 430.258 4.371 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 793972217 QWXRLDJTVZABKV-UHFFFAOYSA-N 425.445 4.057 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)OCc1ccc(OC)c(OC)c1Br 795711607 ONUKUDGJCOGDSB-UHFFFAOYSA-N 440.246 4.130 5 20 IIBD Cc1onc(-c2cccc(Cl)c2)c1C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 796388767 JUFCOGMGXWBXHP-UHFFFAOYSA-N 433.779 4.146 5 20 IIBD CCOc1cc(N2CCC(OC(=O)CCc3cccc(OC)c3F)CC2)ccc1[N+](=O)[O-] 797062105 NSCSATWTYPOVBA-UHFFFAOYSA-N 446.475 4.286 5 20 IIBD O=C(Nc1ccc(Cl)cc1)c1ccccc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 798124996 XITJKIZMZQPIDT-UHFFFAOYSA-N 439.811 4.482 5 20 IIBD CC[C@H]1c2ccsc2CCN1C(=O)COC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 802652239 BFEGYWNPOFYJKE-DYVFJYSZSA-N 434.539 4.216 5 20 IIBD CCOC(=O)C(C)(C)c1csc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)n1 807875845 JBGVZNRMJDVKAL-UHFFFAOYSA-N 446.529 4.135 5 20 IIBD C[C@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@H]1CNC(=O)OC(C)(C)C 809920447 ZNLWCFUXNJLIQN-WFASDCNBSA-N 426.901 4.405 5 20 IIBD CCOc1ccc(CN(C)C(=O)COC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 811375226 WKQRUOHFPZGCMA-UHFFFAOYSA-N 441.267 4.116 5 20 IIBD O=C(NC1CCOCC1)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 813047332 VSZFZDUZJBHZCM-UHFFFAOYSA-N 438.267 4.063 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Br)C1CCC(OC[C@@H]2CCCO2)CC1 815343315 PDTWANUVSOIDCI-IMRCBTMISA-N 442.306 4.155 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1c1noc(-c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)n1 904706675 VXXDFEBHFXMZIZ-MRXNPFEDSA-N 426.433 4.107 5 20 IIBD CCCCN(C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)[C@H](C)c1ccc(C)o1 914519539 OYMAFVITFKUHBE-HZPDHXFCSA-N 431.464 4.378 5 20 IIBD CCOC(=O)Nc1ccc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 916068228 BKIMKTNHTKZSDM-UHFFFAOYSA-N 437.456 4.277 5 20 IIBD O=C(N[C@@H]1CCSc2ccc(Cl)cc21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 916223603 BLTWKZKPKRWHBW-GOSISDBHSA-N 432.933 4.317 5 20 IIBD O=C(Cc1ccccc1)Nc1cc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1F 916504242 IAIZGNIZDZBLEB-UHFFFAOYSA-N 438.371 4.076 5 20 IIBD O=C(NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1(c2cccc(Cl)c2)CCCC1 916752856 DNZYZHDSBQWFFZ-UHFFFAOYSA-N 443.308 4.219 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc(N4CCOC4=O)cc3)cc2[N+](=O)[O-])C1 918386565 OSKLQGVIIWBSOA-HOTGVXAUSA-N 438.484 4.286 5 20 IIBD COc1ccc(S[C@@H](C)C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 919513091 AGNQHMFOLCFANT-NEPJUHHUSA-N 438.889 4.308 5 20 IIBD CC(C)(C)c1ccc(N2CCC(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)CC2)cc1 919767609 JXPCEGUUJKMXLP-UHFFFAOYSA-N 447.539 4.477 5 20 IIBD Cc1ccc(S(=O)(=O)N(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c2ccc(O)cc2)cc1 920152308 OKHAFQOIBVQOFP-UUASQNMZSA-N 438.461 4.044 5 20 IIBD O=C(OCc1coc(-c2ccc(Br)cc2)n1)c1cc2c(cc1[N+](=O)[O-])OCO2 920499203 NFLJDKDSRYGUJS-UHFFFAOYSA-N 447.197 4.098 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 920745333 NAPSJYVDQUTJRB-CQSZACIVSA-N 445.522 4.257 5 20 IIBD CCc1noc(-c2ccc(C)c(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3N)c2)n1 1256686288 UHFHAPLDTOLMPI-UHFFFAOYSA-N 446.261 4.113 5 20 IIBD COc1ccc([C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c2ccc(OC)cc2OC)cc1 1318408346 GYWPTWRKGYUOHC-JOCHJYFZSA-N 440.427 4.279 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccsc4)cc3)CCC2)ncc1[N+](=O)[O-] 1787284423 RFSBINPIUMDFLK-UHFFFAOYSA-N 436.493 4.421 5 20 IIBD CC(C)O[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)CCC1 1790622325 VVCVBFDFSLSTOI-HNNXBMFYSA-N 443.475 4.295 5 20 IIBD CC(C)O[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)CCC1 1790622326 VVCVBFDFSLSTOI-OAHLLOKOSA-N 443.475 4.295 5 20 IIBD C[C@H]1C[C@@]1(C)C(=O)NC1(c2ccc(NC(=O)Cc3cc(F)ccc3[N+](=O)[O-])cc2)CCC1 1792310279 YBSGEXQSYUHWAJ-NPMXOYFQSA-N 439.487 4.457 5 20 IIBD CC1=C(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccccc4[N+](=O)[O-])cc3)CCC2)CCO1 1792317852 UNYMETDRBDVYGI-KPKJPENVSA-N 447.491 4.436 5 20 IIBD CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CSc2ccccc2[N+](=O)[O-])[nH]n1 1816835565 RPZSDQLKUGEECU-HNNXBMFYSA-N 445.545 4.148 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@]2(C)C[C@H]2C)CC1 1830734126 YUZSZNQBQGYOMV-QQQUVDROSA-N 445.535 4.322 5 20 IIBD CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CSc2ccccc2[N+](=O)[O-])CC1 1831775683 GCCLJYMRWOBZQK-SFHVURJKSA-N 447.601 4.353 5 20 IIBD Cc1c(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CCc2cccc([N+](=O)[O-])c2)oc2ccccc12 1847995838 QRIWXIDTFFNAGJ-SFTDATJTSA-N 447.491 4.098 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2ccc(OC)cc2)c([N+](=O)[O-])c1 15208020 KDHJCBBXXLEQRB-UHFFFAOYSA-N 441.509 4.431 5 20 IIBD Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 17973149 RIEMVHAQKQOEAT-UHFFFAOYSA-N 438.528 4.159 5 20 IIBD COc1ccc(C[C@@H](NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c2ccc(OC)cc2)cc1 18109955 NEYDBXBAJUSLCB-OAQYLSRUSA-N 436.464 4.334 5 20 IIBD CC(=O)c1ccc(-c2ccc(C(=O)O[C@@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)o2)cc1 22880020 HARDETJEYOYTLG-ZDUSSCGKSA-N 440.383 4.381 5 20 IIBD CCCC[C@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)Nc1cc(C)on1 23437501 LCFRHYCRFCAZEN-AWEZNQCLSA-N 440.250 4.008 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2ccnn2C(C)C)nc2cc3ccccc3cc2c1=O 24892045 BFLIOGAVZUHOJC-OAHLLOKOSA-N 435.553 4.466 5 20 IIBD Cc1c(-c2ccccc2)sc2ncn(CCC(=O)Nc3ccccc3[N+](=O)[O-])c(=O)c12 26109031 YVSXEYYWQZRKPT-UHFFFAOYSA-N 434.477 4.370 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C 33232710 KGNMJDILBPECTB-UGSOOPFHSA-N 430.917 4.368 5 20 IIBD CCOc1cc(C(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)c([N+](=O)[O-])cc1OC 57775234 PJJSWCWNDAPJNV-UHFFFAOYSA-N 448.422 4.015 5 20 IIBD CN(CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)c1cc2ccccc2c2cccnc12 65094277 NMZXPGXYGOXZQV-UHFFFAOYSA-N 448.544 4.333 5 20 IIBD Cc1cc(C(=O)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)c(C)n1Cc1ccc(F)cc1 72085999 DJGGSDAFBWUJIY-UHFFFAOYSA-N 433.443 4.342 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@@H]2c3ccccc3C[C@@H]2O)cc1 238003783 WXWSWQDBKIKXTK-UKILVPOCSA-N 426.476 4.195 5 20 IIBD O=c1c(Cl)c(N2CC=C(c3ccc(F)cc3)CC2)cnn1-c1ccc([N+](=O)[O-])cc1 301148788 CEEGPCHVSNTPET-UHFFFAOYSA-N 426.835 4.227 5 20 IIBD C[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(OCc2ccccn2)c1 303064964 MVMHKCLDEKMPGQ-KRWDZBQOSA-N 443.463 4.246 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 303515269 PFUSIQHCAZZKLX-UHFFFAOYSA-N 433.443 4.421 5 20 IIBD O=C(NCC1(c2ccccc2Br)CC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 303834185 HUCWAHNMDVHAGO-UHFFFAOYSA-N 441.285 4.005 5 20 IIBD Cc1cc(C)n(-c2ccc(CCNC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)cc2)n1 426031993 VJUXBKNOCWSXOD-UHFFFAOYSA-N 433.512 4.314 5 20 IIBD COc1cc(C(=O)N(Cc2ccc(Cl)cc2)Cc2cnn(C)c2)cc([N+](=O)[O-])c1C 431250946 YUUWBUJUFIMYGI-UHFFFAOYSA-N 428.876 4.141 5 20 IIBD C[C@H]1CN(CCCNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCCO1 432550289 SLIXUPORBZPXDL-INIZCTEOSA-N 447.919 4.271 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NC[C@H]3CCCN(c4ccccc4)C3)cc2)c(C)c1[N+](=O)[O-] 434001353 CDCATCDVCVYBMZ-OAQYLSRUSA-N 447.539 4.103 5 20 IIBD C[C@@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 436152832 NWLPDALKYLGQCR-HUUCEWRRSA-N 441.522 4.446 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1 438424619 HIMDZXPJOSAHRK-KBXCAEBGSA-N 447.417 4.206 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1ccc(OC2CCCC2)cc1 438653106 YUDXKBZRYIIJMW-UHFFFAOYSA-N 425.485 4.292 5 20 IIBD CC(C)(C)c1nc2ccc(NS(=O)(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)cc2s1 438780878 ZBZCDAFCKOUIQY-UHFFFAOYSA-N 449.510 4.074 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)Nc1ccc(CN2CCc3ccccc32)cc1 438791651 KURFFKKMUSZHQN-UHFFFAOYSA-N 444.491 4.352 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2cc(Cl)cc(F)c2F)cc1[N+](=O)[O-] 441592103 QWRNZVDBNOWQBX-UHFFFAOYSA-N 425.804 4.058 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](c1cc(F)ccc1F)c1ccccc1Cl 442357963 BLPKNJGTVOGUHD-LJQANCHMSA-N 445.809 4.371 5 20 IIBD C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 444411446 OXMSGHFLDHPHSC-VBKZILBWSA-N 426.860 4.036 5 20 IIBD O=C(Nc1ccc(Nc2ncccn2)cc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 444414927 IFIZKEIZXHSKOA-UHFFFAOYSA-N 433.346 4.322 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3c(C)cccc3[N+](=O)[O-])cc2)cc1 445252508 WBJSPFWJORAVGU-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1ccc(CN2CCCCC2)cc1 445774091 PROJAURHUJAFSN-UHFFFAOYSA-N 446.345 4.202 5 20 IIBD CC(C)c1nc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)nn1-c1ccccc1Cl 446425436 KJBRLNWCMJCQDW-UHFFFAOYSA-N 425.876 4.151 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H](C(C)C)c2ccccc21 446913936 WKMMPVAFWADUAR-VQTJNVASSA-N 441.553 4.233 5 20 IIBD O=C(NCc1ccncc1)Nc1cccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 447544928 VXDSUSIFMKRYTI-QHCPKHFHSA-N 431.496 4.479 5 20 IIBD CC(C)OC(=O)C[C@@H]1CCCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 447670484 JSIFWTPVVOKUBD-NSHDSACASA-N 425.354 4.202 5 20 IIBD O=C(C[C@H]1CCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(F)cc1 448440323 ZDQZPOPEVBDYOX-LJQANCHMSA-N 425.460 4.212 5 20 IIBD CCn1c(CSc2ccccc2OC)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 460307523 BQXPERGCJAETHK-UHFFFAOYSA-N 427.530 4.186 5 20 IIBD COC(=O)c1ccccc1N(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CCC1 460463027 XIBZUTPYUDOYGA-UHFFFAOYSA-N 437.496 4.184 5 20 IIBD CC[C@H](Cc1cccc(Br)c1)C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 461394155 GUKXOLFEJILSQR-OAHLLOKOSA-N 433.302 4.347 5 20 IIBD Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 461396717 ACKHKPYCIMAKAX-UHFFFAOYSA-N 427.457 4.124 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(-c2cccn2C)n1C[C@@H]1CCCCO1 461647314 AOSPNASOCMXEHQ-FQEVSTJZSA-N 438.532 4.176 5 20 IIBD C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1=O 463767754 GIRFQGVSJOKOSW-HXUWFJFHSA-N 444.806 4.010 5 20 IIBD O=C(N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1(c2ccccc2Cl)CCOCC1 464667629 WBINVQXNYNDQEJ-UHFFFAOYSA-N 444.915 4.366 5 20 IIBD Cc1ccc(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c(OC[C@H]2CCCO2)c1 466632930 KMCYZCLNNSHHDP-VQIMIIECSA-N 430.526 4.258 5 20 IIBD C[C@H]1C[C@@H](c2ccccc2)CCN1C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 466895473 ZSDXJTQBIZSVPW-RDJZCZTQSA-N 437.525 4.283 5 20 IIBD Cc1sc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3n2C(C)C)cc1[N+](=O)[O-] 467079633 PDZHDEDTBLFSOQ-MRXNPFEDSA-N 434.543 4.421 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl 467220280 VLPKGUOJSRFPMN-VIFPVBQESA-N 433.818 4.184 5 20 IIBD CC(C)Cc1ccc([C@@H](NC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)C2CC2)cc1 469069727 VCRFPTBZVDYBIV-XMMPIXPASA-N 449.507 4.328 5 20 IIBD O=C1CCC(=O)N1c1ccc(C(=O)N2CCCCC[C@H]2/C=C/c2ccccc2)cc1[N+](=O)[O-] 469576446 LNJGAUMHUVIIQB-XETPZZHUSA-N 447.491 4.346 5 20 IIBD COc1cc(NCc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)ccc1[N+](=O)[O-] 474789366 WCRWWPOECJDATM-UHFFFAOYSA-N 431.445 4.155 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 475644300 ZSIGHPIVURFYBS-UHFFFAOYSA-N 430.892 4.245 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ncoc1-c1ccccc1 477831000 MWOPFKCFNBGBRV-UHFFFAOYSA-N 449.389 4.180 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCC(c2nnc3n2CCCC3)CC1 479807182 UWINTYYCOIQDRW-UHFFFAOYSA-N 447.495 4.335 5 20 IIBD O=C(N[C@H]1CCCOc2c(F)cccc21)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 480091514 DXLNNDFDAKUGBB-HNNXBMFYSA-N 428.338 4.319 5 20 IIBD O=C(NC1CC1)c1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c1 480441914 ZPHWYHUHMQBBLO-UHFFFAOYSA-N 444.491 4.029 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1 481986340 ZCWYLSFGQGBLSF-INIZCTEOSA-N 431.514 4.027 5 20 IIBD O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1cc([N+](=O)[O-])ccc1OC(F)F 485030252 CRLDGKVASKJWGR-UHFFFAOYSA-N 439.846 4.244 5 20 IIBD CSc1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1[N+](=O)[O-] 485742495 NJLBGNSJVICYDU-UHFFFAOYSA-N 449.554 4.052 5 20 IIBD CC(C)c1c(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cnn1-c1ccc(Cl)cc1 487058610 HVGAUAMWOXBJEQ-UHFFFAOYSA-N 442.907 4.231 5 20 IIBD CCn1c(SCCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1ccc(C)cc1 488881706 NZUHLEJDCIOUEG-UHFFFAOYSA-N 441.513 4.311 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Br)cn(C)c1=O 489931335 GWWXQCKWKMIKBI-UHFFFAOYSA-N 440.319 4.056 5 20 IIBD O=C(NCC[C@H]1C(=O)Nc2ccccc21)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 491129832 HLNLPLJYVUMEMJ-LJQANCHMSA-N 430.464 4.063 5 20 IIBD Cc1cc(C)c(S(=O)(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)cc1[N+](=O)[O-] 493411605 MCOBIETWPDADQG-QGZVFWFLSA-N 441.509 4.225 5 20 IIBD CCOc1cc(CN2CCC(c3noc(-c4ccccc4OC)n3)CC2)ccc1[N+](=O)[O-] 493735228 HTQOFAJWHBZMSU-UHFFFAOYSA-N 438.484 4.432 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccccc2N(C)Cc2ccccc2)cc1[N+](=O)[O-] 493990580 CGTBKWMSGRYJBP-GOSISDBHSA-N 446.507 4.356 5 20 IIBD CC(C)N(C)Cc1ccccc1CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 494231415 RQEFCJZERVLSHW-UHFFFAOYSA-N 438.450 4.453 5 20 IIBD Cc1nc([C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c2ccc(Cl)cc2)no1 497584270 HNQGUTYRYOOUNC-OAHLLOKOSA-N 438.774 4.060 5 20 IIBD COc1ccc(CCNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1OC 500448152 NYIKCJMDRJQWJQ-UHFFFAOYSA-N 432.782 4.257 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccnc(OC2CCCCC2)c1 503489579 PWBGOZFSUOYPEL-CQSZACIVSA-N 433.892 4.438 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN([C@H](C)c2ccccc2F)C1=O 505404892 VXJXVNSKYZUTGL-AUUYWEPGSA-N 445.516 4.328 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1C(=O)N(c2ccccc2)N=C1c1ccccc1 505448914 HNLLWOQZSDMIIK-IBGZPJMESA-N 434.839 4.254 5 20 IIBD COc1cc(CN[C@H](C)c2cccc(-n3cccn3)c2)c([N+](=O)[O-])cc1OCC(F)F 505458713 VGCMUDIOCNFYPT-CQSZACIVSA-N 432.427 4.284 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCC[C@@H](Cn4ccnn4)C3)cc2[N+](=O)[O-])cc1 505791311 WRICTXJGVSMMPW-QGZVFWFLSA-N 437.525 4.198 5 20 IIBD C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 506011180 ZJVQIQWWVXBMNO-CQSZACIVSA-N 431.539 4.164 5 20 IIBD C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 506034578 HMPYXZRMLJDZLX-CYBMUJFWSA-N 449.916 4.349 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)C[C@H](C)c1ccccc1 509510401 WQOICZKKAAIFHB-LBPRGKRZSA-N 438.265 4.384 5 20 IIBD Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 509572822 RNAZLZNKNWZFKK-INIZCTEOSA-N 427.457 4.014 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(N[C@@H]3CCN(c4cccc(OC(F)(F)F)c4)C3)cc2N1 511659045 OLSGBGQLHRPOMW-CYBMUJFWSA-N 436.390 4.069 5 20 IIBD CC(C)Cc1ccc(CCCC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1 513727226 HDEFUKCWQDONDA-UHFFFAOYSA-N 443.569 4.162 5 20 IIBD C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(NC(=O)Cc2ccccc2F)c1 514576241 GXPNFIJIJAVNFM-MRXNPFEDSA-N 435.455 4.335 5 20 IIBD COc1ccc(CNC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1[N+](=O)[O-] 515728593 UAVNJBZJYXUJSG-UHFFFAOYSA-N 435.440 4.119 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H]1c1cccc(Br)c1 515759023 CVJHHIZWAWBNMA-HNNXBMFYSA-N 425.304 4.192 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 516783115 XVNBGDKAZXVYOZ-LBPRGKRZSA-N 437.930 4.426 5 20 IIBD CCCCNC(=O)Cc1noc(-c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)n1 517607938 GMKYBVSPJOQVAD-UHFFFAOYSA-N 433.515 4.020 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)Cc1coc(-c2cccs2)n1)c1ccccc1[N+](=O)[O-] 518494241 GTXQNACXSCHZAA-INIZCTEOSA-N 443.481 4.053 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(Cc3ccc(Cl)cc3)no2)c(I)c1 518865484 IUDATZVFAJEKHK-UHFFFAOYSA-N 441.612 4.494 5 20 IIBD Cc1cc(S(=O)(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)ccc1[N+](=O)[O-] 522364976 HAERWVCQDBJNKX-UHFFFAOYSA-N 446.506 4.131 5 20 IIBD CCC[C@@H](O)CNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 522766405 MUVWLMQYZNNEGU-CQSZACIVSA-N 425.844 4.140 5 20 IIBD O=C(NCc1ccc(F)cc1F)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 522874396 QYHBDCVKBQBWSM-UHFFFAOYSA-N 427.194 4.296 5 20 IIBD CCN([C@H](c1cccnc1)c1ccc(F)c(F)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 531428684 ZOJWKMMURNSLSK-FQEVSTJZSA-N 433.436 4.068 5 20 IIBD CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 531777811 WXMUYKKHXCTFTM-AWEZNQCLSA-N 448.907 4.426 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(CSC2CCCC2)c1 535411590 NSWBXMPGXIHXSD-UHFFFAOYSA-N 427.526 4.068 5 20 IIBD CN(CCCc1cc(-c2ccccc2)n[nH]1)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 539186153 YKUZWSYHWFFCKA-UHFFFAOYSA-N 433.512 4.290 5 20 IIBD CC1CCN(S(=O)(=O)Cc2ccccc2CN[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 540151150 MUEOLKISCNMTOO-SFHVURJKSA-N 431.558 4.007 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 542562113 BVSIOVQXCSYDSN-XLIONFOSSA-N 448.516 4.465 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 542759371 YKSMZKUNBNNWPM-CJNGLKHVSA-N 449.287 4.239 5 20 IIBD O=C(Nc1ncc(C2CCCCC2)s1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 543857479 HMEFEUVORINFQB-ZDUSSCGKSA-N 434.543 4.404 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(c2ccc(OC)cc2)CCC1 544166116 PGTKSAUZWLXIPN-UHFFFAOYSA-N 430.526 4.194 5 20 IIBD C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)c1ccccc1C(F)(F)F 544453451 BQBHQQTZNYYZSV-KBPBESRZSA-N 430.448 4.169 5 20 IIBD Cc1nn(Cc2ccc(-c3nc(-c4ccnc(OC(C)C)c4)no3)cc2)c(C)c1[N+](=O)[O-] 544686039 FLFAUIZYXCHGRK-UHFFFAOYSA-N 434.456 4.356 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(CCCc4nnc(-c5ccccc5)o4)n3)c2c1 545075598 RCVMEOCPMJXXGF-UHFFFAOYSA-N 430.424 4.275 5 20 IIBD NC(=O)c1ccc(SCc2nc(-c3cccc(-c4cscn4)c3)no2)c([N+](=O)[O-])c1 545144642 QDDXMCSZXYZHNO-UHFFFAOYSA-N 439.478 4.160 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2ccc(S(=O)(=O)Nc3ccccc3)cc2)n1 545697223 XZNQEWYSPWNMIC-UHFFFAOYSA-N 436.449 4.421 5 20 IIBD CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 546890811 IQCGCNCCSDTXES-GOSISDBHSA-N 432.318 4.094 5 20 IIBD CCc1nocc1CN(C)c1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] 549223799 ZOUTVNIEWXLYHV-UHFFFAOYSA-N 444.513 4.199 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1 551488206 JRNLPKDFJCZMSA-GOSISDBHSA-N 444.431 4.060 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc3c(Cl)cccc3n2)ccc1[N+](=O)[O-] 553099216 MARLHUXXFKEFLG-IBGZPJMESA-N 438.871 4.348 5 20 IIBD O=C(CCCc1ccccc1)N[C@H]1CCCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 553237619 IPODCPXBESLISU-INIZCTEOSA-N 436.434 4.117 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC[C@H]3c3nc(C)no3)cc2[N+](=O)[O-])n1 553419926 RTWQRXUGDIEOPQ-ZDUSSCGKSA-N 431.499 4.180 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1[N+](=O)[O-] 560209342 PNDBZWQMDDIMAJ-UHFFFAOYSA-N 426.256 4.482 5 20 IIBD COc1ccc(OCCNC2(Cc3ccc(F)cc3Cl)CCOCC2)c([N+](=O)[O-])c1 569128251 ICPXYCNFZIQACZ-UHFFFAOYSA-N 438.883 4.156 5 20 IIBD CC(C)Oc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)N(C)C)cc1 569250183 YWCLAKHGFPEFGV-LJQANCHMSA-N 439.434 4.434 5 20 IIBD O=C(c1ccccc1OC(F)F)N1CCC[C@@H]1c1nc(-c2cccc([N+](=O)[O-])c2)no1 571202589 JJILLJNITPMYJT-OAHLLOKOSA-N 430.367 4.224 5 20 IIBD Cc1noc(CSc2ccc(C(=O)NCCc3c[nH]c4ccc([N+](=O)[O-])cc34)cc2)n1 571317811 AMONIVZYIDJGSL-UHFFFAOYSA-N 437.481 4.032 5 20 IIBD CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 573883401 YVGJUFYPFSFGAB-UGSOOPFHSA-N 445.545 4.185 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 574301371 FEMVOZJSOSZBKR-HSZRJFAPSA-N 442.947 4.098 5 20 IIBD COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1Br 574740312 OKJHFASXGJCBDI-UHFFFAOYSA-N 433.180 4.315 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(OCCc2ccccc2)c1 578055683 RBKSTOANAKPGRH-UHFFFAOYSA-N 433.464 4.356 5 20 IIBD CC(C)Cc1ccc([C@@H](CNC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)N(C)C)cc1 579754746 CYUOASRLYCMEKP-JOCHJYFZSA-N 436.512 4.080 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@@H]2CC[C@@](O)(C(F)(F)F)C2)cc1 589938173 HVUAGCAMHCIKCI-UTKZUKDTSA-N 446.429 4.383 5 20 IIBD Cc1cccc(C)c1-n1c(SCCn2c([N+](=O)[O-])cnc2C)nc2ccccc2c1=O 601916882 PVOKQZNJTUSZDT-UHFFFAOYSA-N 435.509 4.208 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1ncc(Cc2cc(F)cc(F)c2)s1 603649618 ZKEXDWPEIHSIRM-UHFFFAOYSA-N 433.440 4.154 5 20 IIBD O=C(COc1cccc(Br)c1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 603742489 ZSEXGCSFTCNNIO-UHFFFAOYSA-N 447.207 4.327 5 20 IIBD CCOc1c(Cl)cc(/C=C2/CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)cc1OC 603781428 WLNQDUDWACYNNU-JYRVWZFOSA-N 427.844 4.310 5 20 IIBD COC(=O)C[C@H](NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)c1cccs1 603841133 IAHNGIMGYDNFEL-ZOBUZTSGSA-N 445.541 4.173 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cccc(OCC(=O)Nc2ccccc2)c1 603977683 HUBYKRGKMXYSLL-UHFFFAOYSA-N 435.436 4.020 5 20 IIBD COc1cccc(CCNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1OC 604109955 KMSZMJJCBFFNBX-UHFFFAOYSA-N 435.480 4.197 5 20 IIBD O=[N+]([O-])c1ccc(OCCCN2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 608832726 QFSLCMWZWRRAPV-KRWDZBQOSA-N 426.448 4.432 5 20 IIBD CCc1ccc([C@@H](NC(=O)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)c2cccs2)cc1 609053620 IRDVFVOYEZLGDR-JOCHJYFZSA-N 447.520 4.383 5 20 IIBD Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)cc1 609448501 DNQDZJPARDFYLB-UHFFFAOYSA-N 445.483 4.219 5 20 IIBD CN1CCC[C@@H](CN(C)C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 609664373 DKAHZWQBDNUNLB-MRXNPFEDSA-N 430.936 4.274 5 20 IIBD O=C(N[C@H](Cc1ccccc1)c1cccs1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 609752663 PREPRRFVBMGPMU-OAQYLSRUSA-N 436.537 4.472 5 20 IIBD C[C@@H](c1ccccc1Cl)N(C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 609761931 OUDJLDWTLCKVQX-LBPRGKRZSA-N 436.295 4.384 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCc2[nH]c3ccc(Cl)cc3c2C1 609767137 AFUSTKPPOZRSIK-UHFFFAOYSA-N 426.860 4.086 5 20 IIBD C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1 609856778 JULPQNIGVIMXNV-ZDUSSCGKSA-N 448.882 4.453 5 20 IIBD CCOC(=O)[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1F 610088602 VXFJIKXFNSQLHG-GTNSWQLSSA-N 425.254 4.451 5 20 IIBD COc1cc(/C=C/c2ncc(C(=O)O)c(C(C)C)n2)c([N+](=O)[O-])cc1OCC(F)(F)F 610106690 YCKLVSTXOVPDMY-SNAWJCMRSA-N 441.362 4.327 5 20 IIBD CCSc1ccc(Cl)cc1NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 610142567 ALGJFAWQTUKRGG-UHFFFAOYSA-N 448.932 4.350 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CCCN(c2nccs2)CC1 611202046 QNPIUVDTXVBDON-UHFFFAOYSA-N 432.571 4.439 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(Cc1cccnc1)c1ccc(Cl)cc1 619477225 XVTWTRQABRGIGI-UHFFFAOYSA-N 433.873 4.047 5 20 IIBD O=C(Nc1ccccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccs1 726520239 ATILIQNFQOHAHH-UHFFFAOYSA-N 437.886 4.363 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2ccc3ccccc3c2)cc1SC 728651346 STZYABZCTNGRQY-UHFFFAOYSA-N 426.450 4.274 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC[C@@H]1CCCc2ccccc21 729220475 WYPRYOMIKXNFHT-GHTZIAJQSA-N 442.537 4.110 5 20 IIBD CCCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 729420255 DSUSIIZZROSQJW-GOSISDBHSA-N 446.548 4.057 5 20 IIBD NC(=O)c1ccc(COC(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)c([N+](=O)[O-])c1 731377665 VONLNTFPVJBNGC-UHFFFAOYSA-N 443.415 4.373 5 20 IIBD Cc1c(C(=O)OCc2cc([N+](=O)[O-])ccc2OC(C)C)nnn1-c1cccc2cnccc12 732343853 LLANURWYPONYLH-UHFFFAOYSA-N 447.451 4.176 5 20 IIBD CNC(=O)COc1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cc1 734231598 KKIDSDZWJQHPBH-UHFFFAOYSA-N 438.461 4.090 5 20 IIBD O=C(Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 734788543 OMIKZQWPIWIHEP-HKBQPEDESA-N 439.449 4.204 5 20 IIBD O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@H]1C[C@H]1c1ccc2ccccc2c1 735351254 XAGTYYVZWPLRCS-VQTJNVASSA-N 432.432 4.393 5 20 IIBD C[C@H](CC(=O)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccc(C(F)(F)F)c1 738739179 ACHXJYIAFHFVPM-CYBMUJFWSA-N 436.386 4.240 5 20 IIBD CN(Cc1cc(Cl)cc(Cl)c1)C(=O)COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 740391598 NWRHWVBAGMWRKT-UHFFFAOYSA-N 439.295 4.381 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CC(=O)Oc1cccc(OCc2cccc(C(F)(F)F)c2)c1 741963870 OCXRPYYNAWYGOW-UHFFFAOYSA-N 435.358 4.303 5 20 IIBD COc1cc(C(=O)Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])cc(NC(C)=O)c1OC 744072387 SGTBANOTDOUAOU-UHFFFAOYSA-N 436.420 4.457 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C 744395298 QTJCEMGXOXQQDP-PMACEKPBSA-N 446.548 4.096 5 20 IIBD CC(C)(C)OC(=O)NC1(CC(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)CCC1 747125811 XPFJEZUZIYGXJW-UHFFFAOYSA-N 431.445 4.131 5 20 IIBD CC(C)(CO)[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1ccccc1 747556991 WJDYEEOPXCBBDW-HNNXBMFYSA-N 439.281 4.029 5 20 IIBD C[C@H](CNC(=O)[C@@H](C)OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 747956679 JTFMWJHDVBRFML-HUUCEWRRSA-N 439.493 4.184 5 20 IIBD C[C@@H](OC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl 748375547 JZAZOFBZUQBDAQ-LLVKDONJSA-N 426.256 4.005 5 20 IIBD CCc1ccc(O)c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 748920713 PXEGFZWLSSBOAN-SNVBAGLBSA-N 426.347 4.066 5 20 IIBD O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1cc2cc([N+](=O)[O-])ccc2s1 750434239 IKGCXLRNMSHEKN-UHFFFAOYSA-N 442.453 4.186 5 20 IIBD O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 750582836 IMLLOUWFDHGAFR-UHFFFAOYSA-N 440.637 4.117 5 20 IIBD C[C@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C 752439597 TXDRUWPRMSFALN-GXTWGEPZSA-N 443.953 4.102 5 20 IIBD C[C@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 752923944 GUGSPGIXTDFOKV-JKSUJKDBSA-N 434.537 4.165 5 20 IIBD COc1ccc(COC(=O)c2c(C)c3cc(Br)ccc3oc2=O)cc1[N+](=O)[O-] 756594728 XABPMEINOZZYIX-UHFFFAOYSA-N 448.225 4.138 5 20 IIBD COc1ccccc1[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C)c1ccccn1 760403334 ICILWIPRYXBZTH-FQEVSTJZSA-N 447.900 4.028 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(CCOc4ccc(Cl)cc4[N+](=O)[O-])n3)c2c1 762308620 LESKKQFXDQVVHK-UHFFFAOYSA-N 443.803 4.233 5 20 IIBD C[C@@H](c1ccc(Br)cc1)c1noc(Cn2ncc3ccc([N+](=O)[O-])cc32)n1 762341006 ONIDPMMCPSZEJM-NSHDSACASA-N 428.246 4.290 5 20 IIBD O=C(OC[C@H]1CC2(CC2)C(=O)O1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 763057392 WQEONYPHQGQFCJ-OAHLLOKOSA-N 430.844 4.113 5 20 IIBD O=C(O[C@@H]1CCO[C@H]([C@H]2CCOC2)C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 763107304 ZXBAXHCCOUFTJK-VPWXQRGCSA-N 429.494 4.487 5 20 IIBD CS(=O)(=O)CCCCOC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 767740749 HYGBKDFBKSHITC-UHFFFAOYSA-N 443.930 4.381 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1O 769603804 YHUVCDLYIFPKGE-UHFFFAOYSA-N 427.335 4.280 5 20 IIBD C[C@H]1C[C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCN1C(=O)OC(C)(C)C 773803405 PLSGWSFRRKTXJU-ROUUACIJSA-N 449.551 4.059 5 20 IIBD O=C(CCc1nnc(-c2ccsc2)o1)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776134572 LQUSJBIWQLKBLV-HXUWFJFHSA-N 436.449 4.367 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 777629784 HUYHWYOIVYPVAG-UHFFFAOYSA-N 443.437 4.366 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1OS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 777996315 GVDKUQOLZYGZOT-NSHDSACASA-N 448.280 4.085 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccnn1[C@@H]1CCCc2ccccc21 781629860 BHNMZOSSNPQEQP-LJQANCHMSA-N 435.440 4.197 5 20 IIBD C[C@@H](OC(=O)c1ccnc(Oc2ccc(F)cc2F)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 789055722 XEEFYKJNNFUTEZ-GFCCVEGCSA-N 443.362 4.244 5 20 IIBD CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 789951692 SNAQLEGTGBSXOL-INIZCTEOSA-N 425.363 4.029 5 20 IIBD CN(C)c1cc(F)c(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc1[N+](=O)[O-] 791197243 NTRFHQFTZQLFMN-UHFFFAOYSA-N 429.477 4.262 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)OC[C@@H]2CCC[C@@H](O)C2)cc1[N+](=O)[O-] 795233690 GJFDWWQWVOMHDE-GDBMZVCRSA-N 429.494 4.256 5 20 IIBD O=C(COc1cc(F)c([N+](=O)[O-])cc1Cl)NCc1cccc(COCc2ccco2)c1 795244596 AYJMLKIRFQQOEV-UHFFFAOYSA-N 448.834 4.392 5 20 IIBD CC[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)c(S(=O)(=O)NC)c1 795799971 BBMZKDLMHILDQZ-MRXNPFEDSA-N 432.329 4.051 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN(Cc1ccccc1)C[C@H](O)c1ccccc1 796357964 PBDRZQABCAJTHW-QHCPKHFHSA-N 447.491 4.129 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2ccccc2)C1 800658550 PANIYLAZPBLLFC-ZWKOTPCHSA-N 425.485 4.036 5 20 IIBD C[C@@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Br)cc1F 803644181 UTSDWPXTYARXEF-SNVBAGLBSA-N 440.225 4.215 5 20 IIBD O=C(OCCCC(=O)N1CCCCC1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 805363724 JCQDKFIKIXGGOH-UHFFFAOYSA-N 425.485 4.156 5 20 IIBD COc1ccc(CNC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] 806497808 TYOXIMXGHBBETB-JOCHJYFZSA-N 435.480 4.049 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H](c2ccccc2)C2CCOCC2)c(Cl)cc1Cl 809817582 GPRKPPSWFWNSDO-SFHVURJKSA-N 445.324 4.348 5 20 IIBD CCCN(Cc1ccc(C)cc1)C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810351577 OTEGKFOQQSRDTB-UHFFFAOYSA-N 434.290 4.043 5 20 IIBD Cn1nncc1COC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 811025523 MXNOXUVATNJAQV-UHFFFAOYSA-N 438.387 4.250 5 20 IIBD C[C@@H](OC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)s1)C(=O)Nc1ccccc1[N+](=O)[O-] 811289532 RFQHWVDJBIKBLU-GFCCVEGCSA-N 449.485 4.212 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2cccc(-c3nc(CCC(C)(C)[N+](=O)[O-])no3)c2)c1 812814397 HBZXKDOASJTZQS-UHFFFAOYSA-N 444.513 4.142 5 20 IIBD CC(C)c1ccc(CNc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1[N+](=O)[O-] 863990874 JKCRBSWIWVOJIH-IRXDYDNUSA-N 447.557 4.128 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccc3nc(O)[nH]c3c2)c2ccccc2)c([N+](=O)[O-])c1 914926877 FXDPSXDACXLSBN-FQEVSTJZSA-N 446.419 4.022 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CN(c1ccccc1OC)S(=O)(=O)c1cccs1 915670563 ABRLNEONRIIBCA-UHFFFAOYSA-N 434.495 4.069 5 20 IIBD Cc1oc(-c2ccccc2)nc1CC(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 918941002 INQUFFOATUUNRH-ZDUSSCGKSA-N 443.843 4.325 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccc2nc(CN3CCCCC3)[nH]c2c1 1321166851 GAAVPRKLIUOELI-UHFFFAOYSA-N 445.882 4.431 5 20 IIBD CCOc1ccc(O[C@H](C)c2nnc(-c3cccc([N+](=O)[O-])c3N3CCOCC3)o2)cc1 1326059478 AKXXCMMOQOWZHM-OAHLLOKOSA-N 440.456 4.020 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](c1ccc(OC)cc1)c1ccc(OC)cc1OC 1327091548 OKYZDDXNJCAOQA-FQEVSTJZSA-N 426.473 4.347 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cc2c(OC(F)(F)F)cccc2[nH]1 1337739519 FIJVLBNGTFAQHQ-UHFFFAOYSA-N 448.313 4.382 5 20 IIBD Nc1c(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)cc(Br)cc1[N+](=O)[O-] 1341727950 DSJHMRNRPXXCQC-DJIMGWMZSA-N 430.302 4.348 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)O[C@H](Cc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 1342597061 ICSVHFMWHGXELP-HXUWFJFHSA-N 425.462 4.139 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]3C3CC3)CCC2)cc1 1786205831 RHIDOVAQUDUDAV-XHNDXGPJSA-N 435.480 4.381 5 20 IIBD O=C(/C=C/c1cccs1)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1 1790185030 HQOOIRHEDZAIOF-DHZHZOJOSA-N 436.493 4.446 5 20 IIBD Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccccn4)CCC3)cc2)cc1[N+](=O)[O-] 1790525895 BUGJHHUOEUEZEW-UHFFFAOYSA-N 444.491 4.289 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2)[nH]n1 1823503531 OBPCABYZDJUXGW-ARKBFRDHSA-N 445.479 4.337 5 20 IIBD CC1=CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)CC1 1823614675 RVHDSGUQLTWQAT-RBUKOAKNSA-N 429.517 4.168 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC2CCC2)CC1 1832836538 XJAZCDNYANVOLY-FQEVSTJZSA-N 443.544 4.032 5 20 IIBD CC1=CC[C@@H](C(=O)N2CC3(CCCN3C(=O)c3cc(Cl)cc([N+](=O)[O-])c3C)C2)CC1 1845499441 TXIYHVOXWIPWHF-MRXNPFEDSA-N 431.920 4.120 5 20 IIBD Cc1cccc(C)c1C(=O)N1CC2(CCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)C1 1845499911 XEUQOCJAYWIWTH-UHFFFAOYSA-N 441.915 4.304 5 20 IIBD COc1cc(CCNC(=O)C2c3ccccc3Oc3ccccc32)c([N+](=O)[O-])cc1OC 11081212 VRJJOTLRTGLOET-UHFFFAOYSA-N 434.448 4.209 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ccccc1OC(F)F 12826929 WPKAVCVRWHLXRZ-UHFFFAOYSA-N 433.333 4.333 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(Cc2ccc(Cl)cc2)CC1 15484955 OTLSCJMNUCUVDT-HNNXBMFYSA-N 427.892 4.177 5 20 IIBD C[C@@H](OC(=O)CSc1nc2ccccc2o1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 17722628 CXUZFYWKDACROW-LLVKDONJSA-N 426.410 4.183 5 20 IIBD C[C@@H](OC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 18026162 GONNLZYQUCEWRC-CYBMUJFWSA-N 429.429 4.126 5 20 IIBD CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 21922514 ZIRKNDCENUEARI-UHFFFAOYSA-N 445.690 4.064 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)Cc1ccc(C(F)(F)F)cc1)c1ccccc1[N+](=O)[O-] 24484296 ZIMWOHMIFSQRTF-KRWDZBQOSA-N 438.402 4.355 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCSc1nnc(-c2ccc(Cl)cc2)n1C 26234644 AJZOJTYLKALJCV-UHFFFAOYSA-N 447.904 4.173 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nnc(-c2c[nH]c3ccccc23)o1 26363158 TWGVYPRGORIFEZ-UHFFFAOYSA-N 439.453 4.256 5 20 IIBD CC(C)(C)c1ccc(OCCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 60675996 OIMJLFXFQKIQCV-UHFFFAOYSA-N 425.529 4.304 5 20 IIBD C[C@@H](Nc1cccc(I)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 69056199 BVCIJEDUAXHYJB-SECBINFHSA-N 445.644 4.292 5 20 IIBD CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 97571875 KKIXOYAJUBDVHS-SFHVURJKSA-N 444.326 4.027 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(Br)s3)CC2)c2ncccc12 105639737 UBZHWIDRQDLZHF-UHFFFAOYSA-N 433.331 4.289 5 20 IIBD C[C@@H](NC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1)c1cccc([N+](=O)[O-])c1 109813406 BUYJFRQIIUZJTC-FZKQIMNGSA-N 434.290 4.201 5 20 IIBD C[C@H]1CN(Cc2cccc(CNCc3csc(-c4cccc([N+](=O)[O-])c4)n3)c2)CCO1 237519758 DTGUGYIHYZMGRD-KRWDZBQOSA-N 438.553 4.229 5 20 IIBD O=C(c1ccc(N[C@@H](c2ccccc2)c2cccc(F)c2)c([N+](=O)[O-])c1)N1CCOCC1 301609461 PQIGVAIGEXHNQS-QHCPKHFHSA-N 435.455 4.408 5 20 IIBD CS(=O)(=O)c1cccc(NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c1[N+](=O)[O-] 301901981 VYQJPIOWIAPXAI-UHFFFAOYSA-N 443.456 4.002 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1 409560488 FTSVTDPCHDEKGO-UHFFFAOYSA-N 443.428 4.462 5 20 IIBD C[C@H]1CCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCS1 427921561 GFBYWINQZYNDCY-KRWDZBQOSA-N 436.537 4.344 5 20 IIBD C[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 428934193 WCAVGAFSFIYNPK-KUHUBIRLSA-N 437.418 4.038 5 20 IIBD Cc1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c(OC[C@H]2CCCO2)c1 429848182 FGPZEZOYHTZKBV-CQSZACIVSA-N 435.274 4.476 5 20 IIBD Cc1c(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)sc2nc3n(c(=O)c12)CCCCC3 430519902 MEVZVNDCLCDFDL-UHFFFAOYSA-N 440.525 4.066 5 20 IIBD C[C@H]1C[C@@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCN1Cc1ccccc1 430664138 IDHAEGPDFBCEPX-LPHOPBHVSA-N 431.920 4.186 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(SCc2ccccc2)s1 431350689 PFCMHJOYDXOYPC-UHFFFAOYSA-N 436.540 4.102 5 20 IIBD CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] 431759477 IVFXXVBOSVBPGJ-UHFFFAOYSA-N 437.418 4.378 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] 437185065 QZEROELROMFZRR-UHFFFAOYSA-N 439.209 4.485 5 20 IIBD COC(=O)[C@H](CNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 438484852 SFXDYQLFPHLTMU-OAQYLSRUSA-N 435.436 4.465 5 20 IIBD Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])c1 439249941 USEYKRXWKGKFQB-IBGZPJMESA-N 448.504 4.119 5 20 IIBD O=C(c1csc([N+](=O)[O-])c1)N(C[C@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F 440422058 BZPGCSGUASHZKJ-HNNXBMFYSA-N 427.448 4.183 5 20 IIBD CCc1cccc(Cc2cnc(NC(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)s2)c1 441864482 ZJGJDVYNZZIDCI-UHFFFAOYSA-N 440.529 4.270 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 443962773 LJCDKGRSPQDHHO-OAHLLOKOSA-N 444.919 4.172 5 20 IIBD O=C(Cc1noc(-c2ccc([N+](=O)[O-])cc2Cl)n1)Nc1ccccc1Br 445480276 LXDDUAGINJURPV-UHFFFAOYSA-N 437.637 4.242 5 20 IIBD Cc1nn(Cc2ccc(-c3nc([C@H]4COc5ccccc5O4)no3)cc2)c(C)c1[N+](=O)[O-] 445483897 XHVLUYHGHJBZDR-LJQANCHMSA-N 433.424 4.019 5 20 IIBD Cc1ccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1OCC1CCOCC1 447054458 OATAKRQFUUTWLK-UHFFFAOYSA-N 425.485 4.299 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1(c2c(Cl)cccc2Cl)CCC1 447461553 OOAJDEHECUBBQV-UHFFFAOYSA-N 438.267 4.044 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H](CN1CCCC1)c1ccccc1 462456636 GSPLZCGGTMCCEV-MRXNPFEDSA-N 444.340 4.017 5 20 IIBD CCO[C@@H](C)c1nc(CN2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)cs1 463073104 XXYLAWFZCHTUOF-ZDUSSCGKSA-N 442.488 4.072 5 20 IIBD CC(C)(C)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)n(C(C)(C)C)n1 463519737 VPTUMKIBTQSHQR-UHFFFAOYSA-N 431.518 4.193 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2ccccc12)Nc1cccc(CN2CCSCC2)c1 464796506 UNHJKHGLYYQNTF-UHFFFAOYSA-N 437.521 4.314 5 20 IIBD COc1ccc(N(Cc2ccc(C(C)C)cc2)C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)cc1 469185215 RKLRSIUAQAMZIR-UHFFFAOYSA-N 435.480 4.122 5 20 IIBD O=C1CCC(=O)N1c1ccc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] 469818527 IFIGJFPHCAXNDL-AQNXPRMDSA-N 447.491 4.047 5 20 IIBD O=C(Nc1cc(F)ccc1OC(F)F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 470283400 DAVMMVATMLHHSG-UHFFFAOYSA-N 425.363 4.411 5 20 IIBD COC(=O)c1nc([C@@H]2CCCN2C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)sc1C 471327647 JOWFFNRQMYMCPP-HNNXBMFYSA-N 431.514 4.421 5 20 IIBD O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCCCC[C@@H]1c1ccc(C(F)(F)F)cc1 472069784 XHCBFRXHDNLTKU-QGZVFWFLSA-N 425.411 4.137 5 20 IIBD C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1nc(Cc2ccccc2)no1 475226770 ZUAVTEWIQAXMLH-LLVKDONJSA-N 435.362 4.470 5 20 IIBD Cc1cc(COc2ccc(C(=O)Nc3ccc([N+](=O)[O-])c(C)n3)cc2Br)on1 475302207 DJSBJJOQQXIONN-UHFFFAOYSA-N 447.245 4.188 5 20 IIBD O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1ccc([N+](=O)[O-])cc1Cl 475783855 ZVPSGUMEHRBTSZ-AWEZNQCLSA-N 428.659 4.090 5 20 IIBD Cc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)c(C)c1O 476454366 VFFYQFOEOZPSKF-UHFFFAOYSA-N 433.464 4.467 5 20 IIBD COC(=O)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C[C@@H]1C 476763071 KOLAXHHGSVYWGC-WMLDXEAASA-N 445.903 4.132 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccc(OCC(F)(F)F)nc1 479766732 MPIQKWFNNFCLHV-UHFFFAOYSA-N 443.447 4.404 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c1[N+](=O)[O-] 480690689 SYTPAQUJVRTDDB-LBPRGKRZSA-N 449.476 4.255 5 20 IIBD COc1ccc(-c2nnc(SCCn3ccc([N+](=O)[O-])n3)n2-c2ccc(C)cc2)cc1 481249796 BDPJQZLUNUGZGR-UHFFFAOYSA-N 436.497 4.148 5 20 IIBD Cn1c([C@H](NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccccc2)nc2ccccc21 481426442 UQRMNQHFUUJOEP-JOCHJYFZSA-N 440.463 4.411 5 20 IIBD CCCCn1ncc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1C(C)C 484227192 BSRYOUBZLMYYLG-UHFFFAOYSA-N 429.521 4.091 5 20 IIBD CO[C@@]1(C)CCCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)CC1 484894171 KCGLUKCIOHFKNW-FQEVSTJZSA-N 449.554 4.164 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1nnc(CC(F)(F)F)s1 484962680 PLWUGDLLTRXGMM-UHFFFAOYSA-N 446.354 4.301 5 20 IIBD CCN(CC)CCCNC(=O)c1ccc(NC(=O)c2c(C)cccc2[N+](=O)[O-])cc1Cl 486286975 WWQAHIIZTUZMNC-UHFFFAOYSA-N 446.935 4.271 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)Cc1nc2ccccc2s1 486423189 PIFPHSQZCHFAEA-ZDUSSCGKSA-N 431.539 4.304 5 20 IIBD Cc1cc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])ccc1S(C)(=O)=O 486426521 FPUXDYLIGSJTEB-UHFFFAOYSA-N 440.477 4.138 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CN(CCO)Cc3cccc(Br)c3)co2)cc1 488194285 FFNKHYNZVKSKBN-UHFFFAOYSA-N 432.274 4.007 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1ccc(C)cc1 488902352 OWQALGHMLRDBGV-AWEZNQCLSA-N 441.513 4.310 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c([N+](=O)[O-])c1 490032301 KNLWPCAGVGYZBO-LSDHHAIUSA-N 444.557 4.145 5 20 IIBD C[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCN(Cc2ccccc2)C1 490342026 SDKSSDWHNLVKDP-ZBFHGGJFSA-N 434.443 4.228 5 20 IIBD COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)cc1 491129658 DJLFWVSPNXLSMV-UHFFFAOYSA-N 446.456 4.147 5 20 IIBD COc1cc(C(=O)N(C)CCOc2ccccc2Cl)c([N+](=O)[O-])cc1OC(F)F 493973757 ZUSCHBPEOYHQTR-UHFFFAOYSA-N 430.791 4.009 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)ccc1C(=O)N(C)C 495497210 NWYSAPGFHGHCQO-UHFFFAOYSA-N 432.480 4.469 5 20 IIBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)[C@H]1C[C@H]1c1ccc(Br)cc1 499287564 LRSWYHSVTOYFOJ-KBPBESRZSA-N 433.258 4.261 5 20 IIBD CCCN(C[C@H]1COc2ccccc2O1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 502207264 YNCSOAUHNMNNRE-KRWDZBQOSA-N 439.493 4.411 5 20 IIBD O=C(c1cc(F)cc2cccnc12)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 502252727 DTSPZNXBEQVZSB-UHFFFAOYSA-N 448.376 4.263 5 20 IIBD CN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCSc2ccc(Br)cc21 504559244 PSSXHRBSGHTPAR-INIZCTEOSA-N 437.315 4.432 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@H](c3ccccc3)c3nccs3)cc2)c(C)c1[N+](=O)[O-] 505076894 VYEGTRJWJZEIFM-HXUWFJFHSA-N 447.520 4.432 5 20 IIBD CCOC(=O)c1ccc(F)c(C)c1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 505440928 WAWOLXJPSHGFMJ-UHFFFAOYSA-N 425.210 4.234 5 20 IIBD CC(C)(CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1Cl 507160945 OIVCCQOOLMQZNK-UHFFFAOYSA-N 443.729 4.036 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])cn1)N(Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1 508736536 XRSKNGAETZSZTL-UHFFFAOYSA-N 434.374 4.261 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)NCc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 509038150 LEOQMIGNKGZMTO-UHFFFAOYSA-N 425.514 4.102 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1nc2ccsc2s1 509423788 HAUHBRZEEYVDKO-UHFFFAOYSA-N 445.263 4.431 5 20 IIBD CSc1ccc(C(=O)N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)cc1[N+](=O)[O-] 510602461 WFJRIAYZANLLKJ-ZDUSSCGKSA-N 441.431 4.224 5 20 IIBD O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)c1ccc(Cl)cc1[N+](=O)[O-] 512138523 YWTSMNHOAMPTEM-LBPRGKRZSA-N 438.709 4.267 5 20 IIBD Cc1cc(OCc2ccccc2)ccc1NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 513487786 KCKDILBBDSYMOO-UHFFFAOYSA-N 440.477 4.138 5 20 IIBD CCC[C@H](NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 513957431 YBBFGSBAHLIMSX-FQEVSTJZSA-N 439.516 4.432 5 20 IIBD Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)CCn1cc([N+](=O)[O-])nc1C 517361840 QEWAOYJRLAXGHI-LLVKDONJSA-N 433.921 4.453 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 517364685 NRNNJKJJANGPCY-SFHVURJKSA-N 443.258 4.410 5 20 IIBD CCNc1ccc(C(=O)NCC2(c3cc(Cl)ccc3OC)CCOCC2)cc1[N+](=O)[O-] 518616908 GIVJYMPTLAGHLL-UHFFFAOYSA-N 447.919 4.167 5 20 IIBD Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)c2cc([N+](=O)[O-])cn2C)C3)cc1 520240842 RAUDBDNFQUCVRN-UHFFFAOYSA-N 433.468 4.084 5 20 IIBD Cc1ccc(S(=O)(=O)N(Cc2cc(Br)ccc2F)C2CC2)cc1[N+](=O)[O-] 521772896 PUFNCQAWOOPIQV-UHFFFAOYSA-N 443.294 4.158 5 20 IIBD CCCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H](C)C(=O)Nc1ccccc1 523506885 RGMZLZKKBIIZEE-CYBMUJFWSA-N 434.290 4.237 5 20 IIBD Cc1ccc(NCCCNC(=O)N(Cc2cccs2)C[C@@H]2CCCO2)c([N+](=O)[O-])c1 525321529 IOUJSIYFCNCLLH-KRWDZBQOSA-N 432.546 4.158 5 20 IIBD C[C@@H]1CN(Cc2ccc(C(=O)N3CCS[C@@H]3c3ccc([N+](=O)[O-])cc3)cc2)C[C@@H](C)O1 525618473 SBUOHTPUNPGVLH-SEPYTNNBSA-N 441.553 4.092 5 20 IIBD C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 533057773 OGXWSLGDLVFKOM-HKUYNNGSSA-N 431.496 4.170 5 20 IIBD CC[C@@H](NC(=O)c1ccc(SC)c([N+](=O)[O-])c1)[C@@H](c1ccc(C)cc1)n1cncn1 533756959 QCCFCPGVAMMVCH-YLJYHZDGSA-N 425.514 4.015 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCC(=O)c2cccs2)cc1[N+](=O)[O-] 535658627 QWNCVMLQSGZUEC-UHFFFAOYSA-N 440.502 4.222 5 20 IIBD CC1(C)CCC[C@@H](c2noc([C@@H]3CCCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)C3)n2)C1 536051246 AQDHHLHTDFDENM-HZPDHXFCSA-N 448.545 4.230 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 537474082 LAIRTPFYMGZISM-QZTJIDSGSA-N 449.617 4.448 5 20 IIBD CCOCCO[C@H]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 537694393 JQANSBLWIBNSKW-QHCPKHFHSA-N 436.512 4.075 5 20 IIBD CC(C)CN(C(=O)[C@H]1CC(=O)N(C(C)(C)C)C1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 538254116 MBSYIPKZGZTYNW-HNNXBMFYSA-N 444.557 4.354 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 540288813 GZTFGEQAKKJKMA-INIZCTEOSA-N 441.793 4.473 5 20 IIBD CC(C)CO[C@H](C)c1noc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)n1 541788597 MJFGKIUBTMPEIO-CQSZACIVSA-N 436.534 4.484 5 20 IIBD C[C@H](C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1ccc([N+](=O)[O-])cc1F 542532898 MJEIHVHZYWBMFO-DYZYQPBXSA-N 440.258 4.066 5 20 IIBD CCN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 546183781 GVLABXFARVJPHG-QGZVFWFLSA-N 432.318 4.094 5 20 IIBD CCOc1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1OCC 549299290 GIGVDKSVUGVQQL-UHFFFAOYSA-N 426.391 4.384 5 20 IIBD CCOC(=O)c1cc(C(=O)N[C@H](c2c[nH]c3ccccc23)C(F)(F)F)cc([N+](=O)[O-])c1 553154534 MGUBLQTWRLLCHG-QGZVFWFLSA-N 435.358 4.286 5 20 IIBD Cc1cc(NCc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)c2cccc([N+](=O)[O-])c2n1 553225388 QPRJZWWRWJZPAQ-XMMPIXPASA-N 445.479 4.288 5 20 IIBD COc1ccc(-c2ncc(C(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])s2)cc1OC 553709397 HQBMYHOOHMGTPE-UHFFFAOYSA-N 427.482 4.401 5 20 IIBD CSCC[C@@H](NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1nnc2ccccn12 555422793 HIWIDULCGHSERL-OAHLLOKOSA-N 425.436 4.240 5 20 IIBD CC(=O)N1CCN(c2cccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2C)C1=O 555511049 YQEJOFWMZRELSF-UHFFFAOYSA-N 438.465 4.159 5 20 IIBD O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 560603762 DQEOKVVIQIEDQL-UHFFFAOYSA-N 431.182 4.332 5 20 IIBD CCCN(CCN1CCCC1)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 561202391 ZWRXMXJNCNKOFQ-SFHVURJKSA-N 425.533 4.111 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 561426689 XLXVWIBAJAPRAC-UHFFFAOYSA-N 437.296 4.450 5 20 IIBD CCOc1ccc(SCc2nc(Cc3cc(OC)cc(OC)c3[N+](=O)[O-])no2)cc1 562481155 LPOJUVSIIZWEBS-UHFFFAOYSA-N 431.470 4.277 5 20 IIBD C[C@H](C(=O)NCCc1ccc(OCCN2C[C@@H](C)[C@@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 571705576 WIQHMDVEOBHVPP-ZCNNSNEGSA-N 439.556 4.024 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCn3c(C4CCCC4)nnc3[C@H]2C)cc1[N+](=O)[O-] 573874637 GLGLHNSJJQVYEZ-GFCCVEGCSA-N 448.321 4.132 5 20 IIBD O=C(NC[C@@]1(CO)C[C@H]1c1ccccc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 578750821 XETKWNOQHAUJIZ-SQJMNOBHSA-N 431.492 4.103 5 20 IIBD CCOCc1nc([C@@H](C)Nc2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])no1 580683483 ZMZMKXHFQPLJIT-CQSZACIVSA-N 425.445 4.248 5 20 IIBD Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NCc3cnc(-c4ccc(Cl)cc4)s3)cc21 588050988 LUTMWARRIOCWJZ-UHFFFAOYSA-N 429.889 4.174 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3ccccc3S(C)(=O)=O)cc2[N+](=O)[O-])n1 588676337 GNVFPMACAZDASV-UHFFFAOYSA-N 449.535 4.167 5 20 IIBD COC(=O)c1cccc(NC2CCN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)c1 589199669 WMOPMEWRLDCVQJ-UHFFFAOYSA-N 435.427 4.059 5 20 IIBD CC(C)NC(=O)c1ccc(N[C@H]2CCCN([C@H](C)c3ccccc3F)C2=O)c([N+](=O)[O-])c1 590141953 WTAPVJDDAXUSIW-QRWLVFNGSA-N 442.491 4.036 5 20 IIBD CC1CCN([C@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c2cccs2)CC1 603263961 UOXAGIMCHVSRNM-OAQYLSRUSA-N 442.585 4.460 5 20 IIBD CCCCCc1ccc(C(=O)CCC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 603575718 RFTUNTKUIQCKOS-UHFFFAOYSA-N 438.528 4.034 5 20 IIBD CCc1cccc(Oc2ccc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)cn2)c1 603775109 YAUBPWOMIZINKD-UHFFFAOYSA-N 434.452 4.103 5 20 IIBD O=C(c1ccc(NCc2cccc(Oc3ccccc3)c2)c([N+](=O)[O-])c1)N1CCOCC1 603856232 DVNWSWUKSKKMKR-UHFFFAOYSA-N 433.464 4.472 5 20 IIBD CC(C)[C@@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2cccnc2)no1 608799259 RJLLCDWFKRAYOH-CXAGYDPISA-N 427.486 4.034 5 20 IIBD CCc1cccc(Cc2cnc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)s2)c1 608939141 SQVFQRNVRSPIFZ-UHFFFAOYSA-N 425.466 4.228 5 20 IIBD CCOC(=O)c1sc(NC(=O)c2ccc(NC)c([N+](=O)[O-])c2)nc1-c1ccccc1 609111932 LUFWACIYYLNQGF-UHFFFAOYSA-N 426.454 4.189 5 20 IIBD Cc1ccc(Cc2cnc(NC(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)s2)cc1C 609441848 MVIRSKDGKBBQEC-UHFFFAOYSA-N 434.481 4.092 5 20 IIBD CCN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C(c1ccccc1)c1ccccc1 609443883 FFDCCGKJNFFWEH-UHFFFAOYSA-N 427.464 4.427 5 20 IIBD COC(=O)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)Cc1cccc2ccccc12 609793498 ACMYTRZJSLUQCB-SFHVURJKSA-N 440.883 4.092 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@@H](N3CCCC3)CC2)cc1 609977838 WJPJBGOOXUAWGZ-GOSISDBHSA-N 439.512 4.486 5 20 IIBD Cc1c(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(F)cc1F 610235055 PRRPTVINAUZUBY-FQEVSTJZSA-N 430.436 4.255 5 20 IIBD CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2OC)CC1 619429674 VZGACVMQENXGDU-HXUWFJFHSA-N 440.496 4.193 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])c1nnc(CCc2ccccc2)n1C[C@@H]1CCCCO1 619860686 LELVWRUAHCTNOW-NRFANRHFSA-N 435.528 4.177 5 20 IIBD COc1ccc(Br)cc1[C@H]1CCCN1Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 725777283 FRRFYMAMRIRTNC-OAHLLOKOSA-N 448.273 4.068 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ccc(N3CCCC3)nc2)cc1)c1cccc([N+](=O)[O-])c1 727100066 MWMXOZMNOBXQSD-UHFFFAOYSA-N 432.436 4.062 5 20 IIBD COc1ccc([C@H](C)NCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1Br 727368347 SLUJHBKBDHTXII-JTQLQIEISA-N 442.697 4.309 5 20 IIBD Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 727994359 XMEKZZYERLGIAI-GOSISDBHSA-N 435.440 4.494 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])c(F)c1)NCCC(c1ccccc1)c1ccccc1 728155375 QOEHOQRZYBCWLM-UHFFFAOYSA-N 436.439 4.229 5 20 IIBD Cc1ccc(-c2nc(C)c(C(=O)OCC3CCN(c4ncccc4[N+](=O)[O-])CC3)s2)o1 729191953 BCIQPCXFOSQMQR-UHFFFAOYSA-N 442.497 4.397 5 20 IIBD CCc1nc2ccc(C(=O)OCC3CCN(c4ncccc4[N+](=O)[O-])CC3)cc2nc1CC 729192505 NJHSMMUMGUBIAD-UHFFFAOYSA-N 449.511 4.131 5 20 IIBD CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)COc3cccc([N+](=O)[O-])c3)ccc21 729411793 URONUCKDKXLSDY-UHFFFAOYSA-N 427.457 4.300 5 20 IIBD C[C@@H](OC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)Nc1ccc(Br)cc1 730643400 BFURWWVIYREHGN-SECBINFHSA-N 427.638 4.195 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)N1CCC(n2cccn2)CC1 731354766 VTKQXBMHOFAGPH-OAQYLSRUSA-N 439.903 4.462 5 20 IIBD Cc1ccc(-c2ncc(C(=O)O[C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)s2)c(C)c1 731519775 YIEOLGHEVBPMLA-SFHVURJKSA-N 437.477 4.297 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCC[C@@H]1COc1ccc(Cl)cc1 731966835 LZQARVZTNMMGMY-CYBMUJFWSA-N 446.859 4.292 5 20 IIBD O=C(CCCc1ccc2c(c1)-c1ccccc1C2)NS(=O)(=O)c1cc([N+](=O)[O-])cs1 732620510 QYKXSPKNBIJZMY-UHFFFAOYSA-N 442.518 4.055 5 20 IIBD O=[N+]([O-])c1ccc(OCc2nc(-c3ccc(-n4cnc5ccccc54)nc3)no2)cc1F 733737267 QFDSOGYDDURWCB-UHFFFAOYSA-N 432.371 4.097 5 20 IIBD Cc1ncc2c(n1)CCC[C@@H]2NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 734799380 PNSGKJFYLFMLIG-VLIAUNLRSA-N 432.484 4.069 5 20 IIBD O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)OCc1cc([N+](=O)[O-])ccc1Cl 734975093 NJNOADMBCVFZOD-OAHLLOKOSA-N 427.265 4.448 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(OCC(C)(C)O)cc2)CC1 735934028 WXEVJXFERUEBGD-UHFFFAOYSA-N 427.501 4.233 5 20 IIBD CC(C)NC(=O)c1ccc(NCc2ccc(N(C)C(=O)c3ccncc3)cc2)c([N+](=O)[O-])c1 736297266 FVZZOOWIPGGOCE-UHFFFAOYSA-N 447.495 4.017 5 20 IIBD CN1C(=O)C[C@@H](COC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@H]1c1cccc(Cl)c1 737383428 YXOHTBQPMKZSKV-VBKZILBWSA-N 428.828 4.371 5 20 IIBD COc1cc(/C=C/C(=O)N2CCc3c2cccc3[N+](=O)[O-])ccc1OCc1c(C)noc1C 737583122 BYXIDMIRVJRNMJ-CSKARUKUSA-N 449.463 4.390 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)CCSCc1nc(O)c2ccccc2n1 740563687 ZPVDDZOWVIFZDW-UHFFFAOYSA-N 433.873 4.434 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](COC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 740585301 YOKQHZZWYLVFBW-ZDUSSCGKSA-N 433.486 4.132 5 20 IIBD Cc1ccc(N2CCC[C@@H](SCCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)C2=O)cc1 742971970 VUJVMQBVXGMLGZ-HXUWFJFHSA-N 441.509 4.130 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)c1ccc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 743266598 FCWFOIFLVVNUDB-LBPRGKRZSA-N 439.465 4.120 5 20 IIBD O=C(COc1ccc2ccc(=O)oc2c1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 743789113 GJOZHKGCNLIQQL-UHFFFAOYSA-N 430.416 4.313 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3ccn(-c4ccccc4)n3)CC2)ccc1[N+](=O)[O-] 744202765 FASQICIOXOEWIF-UHFFFAOYSA-N 436.468 4.005 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@H](C)Oc3ccc(C)cc3)CC2)ccc1[N+](=O)[O-] 744203300 GVOZREFUKIXASR-KRWDZBQOSA-N 428.485 4.281 5 20 IIBD CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 747404839 YQRXJCUQSSRUCW-GOSISDBHSA-N 432.521 4.058 5 20 IIBD COc1c(C)cnc(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1C 747671891 UKSMEWRDHYTLSF-INIZCTEOSA-N 435.484 4.113 5 20 IIBD CC[C@@H](OC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(NC(C)=O)cc1 748870256 QOUKATFMFHSJFC-BFUOFWGJSA-N 430.482 4.239 5 20 IIBD CC(C)(C)OC(=O)NCCCOC1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1 749103488 GEHRRUFXYRNJDO-UHFFFAOYSA-N 430.505 4.043 5 20 IIBD O=C(C[C@@H]1Oc2ccccc2NC1=O)OCc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1 752216221 GYEPFCOBBVYZGB-NRFANRHFSA-N 434.404 4.220 5 20 IIBD CC[C@@]1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)OCCc2ccccc21 752982051 HRJOZLHYCPBJDC-IBGZPJMESA-N 437.265 4.104 5 20 IIBD CC(C)(O)CN1CCc2c(cccc2NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 753122781 VDBIGHMXBHXZNR-UHFFFAOYSA-N 449.960 4.108 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1ccc(F)c(C(F)(F)F)c1 754373364 VZXQOSLJMARINC-SECBINFHSA-N 435.351 4.074 5 20 IIBD C[C@@H](C(=O)OCC(=O)Nc1ccc(N2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1F 755053551 IZXJJNLNKYKLSU-OAHLLOKOSA-N 429.448 4.010 5 20 IIBD C[C@H](C(=O)O[C@H](C)C(=O)N(C)Cc1c(F)cccc1Cl)c1ccc([N+](=O)[O-])cc1F 755065330 PSAHGAHJUHSFFQ-NWDGAFQWSA-N 440.830 4.220 5 20 IIBD Cc1nc(-c2cccc(NC(=O)COC(=O)CCc3cccc([N+](=O)[O-])c3)c2)cs1 756537527 PJGXWPLEQLZEHB-UHFFFAOYSA-N 425.466 4.141 5 20 IIBD COc1cc(S(=O)(=O)Nc2ccc(C(F)(F)C(F)(F)F)cc2)ccc1[N+](=O)[O-] 759165410 IOIXTLMPCBYOBG-UHFFFAOYSA-N 426.319 4.058 5 20 IIBD Cc1ccc(C(=O)O[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1NC(=O)c1ccco1 759931027 LYLDEOQCRAEAOE-QZTJIDSGSA-N 438.440 4.286 5 20 IIBD COc1ccccc1[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)c1ccccn1 760403454 JIECMFAWTPBPHV-HXUWFJFHSA-N 447.900 4.028 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CC=C(c2cccc(Br)c2)CC1 762490403 QINBZJSTOSMWNK-UHFFFAOYSA-N 441.285 4.023 5 20 IIBD Cc1c(Br)cc(C(=O)OCC2CCN(C(=O)C(C)(C)C)CC2)cc1[N+](=O)[O-] 762917859 LDEYMNMNXONJIY-UHFFFAOYSA-N 441.322 4.107 5 20 IIBD Cc1cc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)n(-c2cccc(Br)c2)n1 763404894 UALGAFWWOHNHOH-UHFFFAOYSA-N 437.200 4.382 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 764283333 QMXLONHPLLRYTN-MRXNPFEDSA-N 439.537 4.463 5 20 IIBD C[C@@H](C(=O)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc(Br)cc1 767002736 KTOCRAJGJGKZMN-GFCCVEGCSA-N 449.257 4.002 5 20 IIBD O=[N+]([O-])c1cc(CSc2nnc(-c3cnccn3)n2Cc2ccco2)ccc1Cl 768415713 RJEYMTANZXRFCM-UHFFFAOYSA-N 428.861 4.230 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)Nc1ccn(-c2ncccc2C(F)(F)F)n1 769010045 UUOVXXJHBPAZNR-UHFFFAOYSA-N 440.769 4.169 5 20 IIBD O=C(Nc1ccccc1C(=O)NCCc1cccc(O)c1)c1ccc([N+](=O)[O-])cc1Cl 769470605 RHRJZZIAXWLOFL-UHFFFAOYSA-N 439.855 4.179 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 769622022 JHNONWOISOQFGI-UHFFFAOYSA-N 449.448 4.461 5 20 IIBD COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1 769671751 DNYCNXGSPPHCHW-UHFFFAOYSA-N 440.424 4.072 5 20 IIBD COc1cc(CN2CCC(O)(c3ccccc3C(F)(F)F)CC2)c([N+](=O)[O-])cc1F 769837244 XMHFKASOSOKUIU-UHFFFAOYSA-N 428.382 4.245 5 20 IIBD COC(=O)N(C)c1ccc(NCc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])cc1 770504325 JMIBPZDDXNAYBE-UHFFFAOYSA-N 443.378 4.359 5 20 IIBD COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OS(=O)(=O)CCC1CC1 770643578 FEZXZIQCTOKFFC-IBGZPJMESA-N 444.509 4.094 5 20 IIBD C[C@H]1CCN(C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC12CCC2 771331690 RGWIZSBQLIQWNU-INIZCTEOSA-N 444.509 4.015 5 20 IIBD O=C(COc1ccccc1C(=O)Oc1cc(F)cc([N+](=O)[O-])c1)Nc1ccccc1F 771480534 LRZXYKXKKJFUPX-UHFFFAOYSA-N 428.347 4.110 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CC[C@@]2(C1)OCc1ccccc12 771502590 AKQIXNXACDVUQK-SFHVURJKSA-N 437.677 4.282 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)cc([N+](=O)[O-])c1F 776751103 ARNZQHPYDUKKEL-UHFFFAOYSA-N 428.401 4.046 5 20 IIBD O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 776775217 QVQPNWNIQUQWHW-AKFKNWHVSA-N 430.508 4.434 5 20 IIBD Nc1ccc(-c2noc(C[C@H](O)c3ccc(OCc4ccccc4)cc3)n2)cc1[N+](=O)[O-] 777710928 ZOBSDAXFADXVGC-NRFANRHFSA-N 432.436 4.082 5 20 IIBD O=C(c1ccccc1)c1ccc(N2CCC(Oc3cncc(Cl)n3)CC2)c([N+](=O)[O-])c1 777793094 TXBJHXXICORVBZ-UHFFFAOYSA-N 438.871 4.317 5 20 IIBD O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@H]1CC[C@H](C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC1 777898264 RMLNGJHDQQZNFL-HAQNSBGRSA-N 448.382 4.165 5 20 IIBD CC(C)(C)OC(=O)NCc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 778729538 BOKOORATUUQDDM-UHFFFAOYSA-N 437.399 4.473 5 20 IIBD COc1ccccc1OCc1ccc(C(=O)O[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)o1 778793282 UVGNGBDMIVHVJF-GOSISDBHSA-N 438.436 4.211 5 20 IIBD Cc1nc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(-c2ccccc2)s1 778858863 VDPFYZRVFUEMPM-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD COc1ccc(NC(=O)N(Cc2ccccc2)C[C@]2(O)CCc3ccccc32)cc1[N+](=O)[O-] 782622035 UUQZMPGQBYRZAY-RUZDIDTESA-N 447.491 4.472 5 20 IIBD Cc1cc(-n2cc(COC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)nn2)ccc1F 786297815 RCSDRXFJDLSOMO-UHFFFAOYSA-N 439.428 4.104 5 20 IIBD O=C(NCc1ccco1)c1cccc(COc2cc([N+](=O)[O-])ccc2Br)c1 786747306 UGLGFKGLOCHTCL-UHFFFAOYSA-N 431.242 4.459 5 20 IIBD O=C(Nc1cc(Br)cnc1Cl)c1ccc(Br)cc1[N+](=O)[O-] 787953742 MGOKTPODYBDIIZ-UHFFFAOYSA-N 435.459 4.421 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(COC(=O)[C@@H]2CCC(=O)c3cccn32)cc1OC 789225887 BNKNOGRCIRTENO-YOEHRIQHSA-N 430.457 4.091 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 789440444 PPSGSIWBTYSVND-KRWDZBQOSA-N 444.444 4.324 5 20 IIBD C[C@@H](NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)c1ccc(F)cc1F 790761406 LJNDYFXDQWWQOJ-SNVBAGLBSA-N 440.244 4.464 5 20 IIBD C[C@@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@H](O)c1c(Cl)cccc1Cl 790919291 LZNKZBBWVJUBLA-RBHXEPJQSA-N 435.666 4.475 5 20 IIBD CC[C@@H](Oc1ccccc1F)C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791174248 KEHBIQNQAUYXNS-QGZVFWFLSA-N 437.265 4.239 5 20 IIBD Cc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1NC(=O)c1ccco1 791498851 RIJSOQQZLGNDGX-UHFFFAOYSA-N 425.353 4.014 5 20 IIBD CC(C)COc1cccc(COC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c1 793405521 OYUXMHDPSAXJEJ-KRWDZBQOSA-N 432.498 4.039 5 20 IIBD Cc1nn(-c2ccccn2)c(C)c1CN1CCc2c(Br)ccc([N+](=O)[O-])c2C1 793613281 LVAJGDVLIYKPIK-UHFFFAOYSA-N 442.317 4.113 5 20 IIBD COCCOc1ccc(C(F)(F)F)cc1NC(=O)CNc1c(F)ccc([N+](=O)[O-])c1C 799973799 ZHLWIIMCOCCXQQ-UHFFFAOYSA-N 445.369 4.137 5 20 IIBD CCCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)[C@@H](C)CC(=O)Nc1ccccc1 800237117 XSRGZUFTSFIFJP-AWEZNQCLSA-N 442.472 4.389 5 20 IIBD CCC(=O)c1ccc(NCc2ccc(N3C(=O)N[C@](C)(C4CC4)C3=O)cc2)c([N+](=O)[O-])c1 804700657 GWIDLQUTZAYMSI-HSZRJFAPSA-N 436.468 4.025 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(Cl)cc1Cl 809830958 KSIOAOWDXCVUPO-BLLLJJGKSA-N 449.287 4.239 5 20 IIBD O=C(c1cc2ccccc2[nH]1)N1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 809939011 OFKGZLCLZDPVIR-UHFFFAOYSA-N 433.295 4.341 5 20 IIBD Cc1nc([N+](=O)[O-])c(Br)n1C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 809956714 LNRDPHNKVJTPPW-JOCQHMNTSA-N 431.331 4.193 5 20 IIBD Cc1cccc([C@@H](CC(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])NC(N)=O)c1 811075241 UUGBLDCPGBSNCM-OAHLLOKOSA-N 426.256 4.053 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ncc(C(C)(C)O)s2)cc1 811620076 OMAGAEDQERHECX-UHFFFAOYSA-N 429.454 4.332 5 20 IIBD C[C@@H]1CCCN(c2cc(C(=O)O[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)ccn2)C1 812653796 QQDQXICDQBDPAN-ZIAGYGMSSA-N 446.891 4.064 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCN(C(=O)NCc3ccc([N+](=O)[O-])cc3)C2)C1 814362200 STKCOSIIKIMKNY-RTBURBONSA-N 446.548 4.164 5 20 IIBD Cc1cccc([C@H](NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])c2ccccn2)c1 815028973 HZWNLDAQZXEBGH-IBGZPJMESA-N 435.864 4.159 5 20 IIBD O=C(O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])C1CCC(OC[C@@H]2CCCO2)CC1 816005311 HXRIDOLMAHHYOR-HJTWACBLSA-N 440.496 4.377 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c(F)c1 826130231 FKRMDWXTZOZTQE-MRXNPFEDSA-N 443.475 4.463 5 20 IIBD O=C(COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])Nc1cc(C2CC2)nn1-c1ccccc1 898067782 IDVPJTRGXLWCLD-UHFFFAOYSA-N 440.843 4.107 5 20 IIBD Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)OCCn1c([N+](=O)[O-])cnc1C 917943835 DEINKJCPJZFKSM-UHFFFAOYSA-N 425.228 4.227 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NCCN1CC=CC1 1319027960 KLASSMYIJHCPPK-OBGWFSINSA-N 434.521 4.123 5 20 IIBD O=C1[C@@H](NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CCN1Cc1ccccc1 1338750900 GWQONPNFEURKHL-IBGZPJMESA-N 425.872 4.399 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])cc4F)CCC3)cc2)no1 1787467457 NTVVLZRDCOLAGK-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD Cc1cccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])o4)CCC3)cc2)c1 1787758051 DMKMLOJFSYKRFC-UHFFFAOYSA-N 433.464 4.487 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccc2ccoc2c1 1804345680 RHZIGUHNPZELFT-YSUBUNCUSA-N 445.475 4.306 5 20 IIBD Cc1c(C(=O)N2CCCC23CN(C(=O)CCc2ccccc2)C3)cc(Cl)cc1[N+](=O)[O-] 1845499052 ZQGBQHVVGFHFFR-UHFFFAOYSA-N 441.915 4.006 5 20 IIBD C[C@@H](OC(=O)c1ccccc1C(=O)N(C)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 9703129 VEJQHPQMNMAHOP-MRXNPFEDSA-N 447.447 4.055 5 20 IIBD O=C(COC(=O)CSc1ccc([N+](=O)[O-])cc1)Nc1ccccc1SC(F)F 11459877 RCRHGQXZTQIPLK-UHFFFAOYSA-N 428.438 4.184 5 20 IIBD C[C@H](OC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1[N+](=O)[O-] 12259415 HCAYHSYPYMJSKZ-ZDUSSCGKSA-N 443.843 4.406 5 20 IIBD O=C1C[C@@H](C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c2ccc(F)cc2N1 12832715 PKIOYKKSYPSTQL-LJQANCHMSA-N 449.394 4.018 5 20 IIBD NC(=O)c1ccc(COC(=O)c2ccccc2Cc2nc3ccccc3s2)c([N+](=O)[O-])c1 16555154 VZLCJYWRAXGXBA-UHFFFAOYSA-N 447.472 4.251 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)Cc2coc3c(C)c(C)ccc23)c([N+](=O)[O-])c1 16938171 QXDJIBKTFYMCJC-AWEZNQCLSA-N 426.425 4.079 5 20 IIBD O=C(CSc1nnc(NCc2ccco2)s1)Nc1cc(Cl)ccc1[N+](=O)[O-] 17983152 GJZYMMVTSUWHGW-UHFFFAOYSA-N 425.879 4.036 5 20 IIBD CCCNC(=O)COC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 18494157 FITIJJXXOKKDRM-VBKFSLOCSA-N 439.493 4.205 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2cccc3ccccc23)cc1OC 18969338 YJEJXKXIPCIOSI-CQSZACIVSA-N 438.436 4.339 5 20 IIBD Cc1cccc(C(=O)N2CCCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])CC2)c1 29531782 NKOVIDUSIULLKO-UHFFFAOYSA-N 443.503 4.487 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)SCc1nc(=O)c2c(C)c(C)sc2[nH]1 32517217 URXJWEIGUOXGOO-GFCCVEGCSA-N 432.527 4.078 5 20 IIBD Cc1cc(NC2CCN(C(=O)c3ccccc3F)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 60859344 BXQJEALCGPQHFV-UHFFFAOYSA-N 435.459 4.216 5 20 IIBD CCc1nc(CN(C)c2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])cs1 63255457 VUPLPYCZPSNCMN-UHFFFAOYSA-N 432.527 4.051 5 20 IIBD CNC(=O)c1ccc(Sc2nnc(-c3ccco3)n2C2CCCCC2)c([N+](=O)[O-])c1 64905392 IGRGAEHXVQZNGD-UHFFFAOYSA-N 427.486 4.462 5 20 IIBD CCOC(=O)CN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1F 64933873 VGDBQEAKFRWMNQ-UHFFFAOYSA-N 429.429 4.067 5 20 IIBD CCOc1cc(C(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])cc1OC 105991987 SNPHLAZKKUXHRJ-NSHDSACASA-N 428.363 4.392 5 20 IIBD O=C1Nc2ccccc2C[C@@H]1CCC(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 106187255 ASVBNDSUSQZSQV-HNNXBMFYSA-N 435.402 4.077 5 20 IIBD CCN(CC)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cn1 108171556 YCNOSEZUBXQTEN-UHFFFAOYSA-N 425.533 4.002 5 20 IIBD COc1cc(CNC[C@@H]2CCCN(C(C)C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 237241231 HMXIUFSBBQYTAW-FQEVSTJZSA-N 427.545 4.392 5 20 IIBD O=C1[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1CCCc1ccccc1 237909384 QPPCXCXSKREFEP-OAQYLSRUSA-N 436.537 4.042 5 20 IIBD CCc1cc(N2CCC(O)(Cc3cccc(F)c3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 302292832 XAIVNLRYEHZART-UHFFFAOYSA-N 436.487 4.327 5 20 IIBD COc1cc(C(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OC(F)F 409565059 HJUDAUDARGHZLZ-LIRRHRJNSA-N 436.411 4.103 5 20 IIBD Cc1sc(NC(=O)c2ccccc2CN2CCOCC2)nc1-c1cccc([N+](=O)[O-])c1 428248750 QXFXXTSVSQUNLB-UHFFFAOYSA-N 438.509 4.111 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)C1CCC(C(F)(F)F)CC1)c1ccccc1[N+](=O)[O-] 435639611 VOTTWQUYXYTQKU-XUJLQICISA-N 430.423 4.463 5 20 IIBD COc1cccc(C(=O)N2c3ccccc3CC[C@@H]2C(=O)Nc2ccc(F)cc2)c1[N+](=O)[O-] 435715319 ALEXNDCVNNSROP-HXUWFJFHSA-N 449.438 4.343 5 20 IIBD COCCOc1cc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)ccc1OC 436093241 NGEKXVZQAJVOCM-UHFFFAOYSA-N 436.439 4.107 5 20 IIBD O=C(NCc1cccc(OC(F)F)c1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436230794 IXXGSCHBEGFJKF-UHFFFAOYSA-N 430.357 4.491 5 20 IIBD O=C(c1ccccc1O)N1CCC(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 436713149 BDJMOFPLPNMGHQ-UHFFFAOYSA-N 437.521 4.423 5 20 IIBD O=C(c1cnn(-c2cccc(Br)c2)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437127119 SYQNBKZBNZUYMP-UHFFFAOYSA-N 441.285 4.348 5 20 IIBD O=C(CSCc1cscn1)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 437351460 FXQKCRDGBWUHHH-UHFFFAOYSA-N 441.494 4.369 5 20 IIBD O=C1[C@H](c2nc(Cc3ccccc3[N+](=O)[O-])no2)CCN1c1cc(Cl)ccc1Cl 438245190 HNSQUEKZQKYXDI-ZDUSSCGKSA-N 433.251 4.396 5 20 IIBD COc1cc(C(=O)Nc2c(F)cccc2Br)c([N+](=O)[O-])cc1OC(F)F 438448030 JCSYOXCVDBGEKC-UHFFFAOYSA-N 435.152 4.359 5 20 IIBD C[C@@](O)(CNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C1CC1 440558131 JHJQJWVBJUPGSN-GTUDIADOSA-N 437.521 4.412 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 441785312 GDWBCJYEFGBSFW-OPAMFIHVSA-N 425.489 4.133 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CN1Cc1ccccc1 444230319 XYKSBJXNAAQAFI-CRAIPNDOSA-N 447.485 4.352 5 20 IIBD COc1cc(OC)cc(OCCCN(C)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1 444248382 ROZGHYNDNRGPLA-UHFFFAOYSA-N 446.503 4.240 5 20 IIBD O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 444288134 NVKBMLVAWGUNCZ-OAHLLOKOSA-N 435.886 4.483 5 20 IIBD Cc1nnc2ccc(-c3noc(-c4ccc(N[C@@H](C)c5ccccn5)c([N+](=O)[O-])c4)n3)cn12 445647330 LSNPHUQWDQOVGA-ZDUSSCGKSA-N 442.439 4.231 5 20 IIBD COc1cc(Cc2noc(-c3cc(C(C)C)nc4onc(C)c34)n2)c([N+](=O)[O-])c(OC)c1 445816170 TWAUJRGEZCZUIC-UHFFFAOYSA-N 439.428 4.221 5 20 IIBD Cc1[nH]c2ccc(Br)cc2c1CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 446421800 AAOYLBRWWXQBGQ-UHFFFAOYSA-N 428.286 4.274 5 20 IIBD Cc1ccnc(Oc2cc(NC(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)ccc2C)c1 460503679 NDPAJMARJGOTKG-UHFFFAOYSA-N 441.465 4.055 5 20 IIBD Cc1c(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 460584562 JFAFBIMVPHKCSQ-CCMJGWDWSA-N 425.876 4.264 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC[C@](CO)(Cc3ccccc3)C2)nc1OCc1ccccc1 461887125 YRZPCNAKDKMZKY-VWLOTQADSA-N 433.508 4.390 5 20 IIBD Cc1nc(-c2ccc([C@@H](C)NC(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)cc2)cs1 465032747 HJOPAGKMWLYIQH-CYBMUJFWSA-N 439.493 4.218 5 20 IIBD Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 465144157 JUKGHCSTXYFFKW-SFHVURJKSA-N 438.505 4.379 5 20 IIBD CCN(CC)[C@H](CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 465418566 CMQJKPLXTJDRGA-HSZRJFAPSA-N 440.544 4.231 5 20 IIBD O=C(Nc1nnc(-c2cc(Br)ccc2F)s1)c1ccc(F)cc1[N+](=O)[O-] 466337366 NYDJMJGQHVPLMQ-UHFFFAOYSA-N 441.213 4.406 5 20 IIBD Cc1ccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1 466985921 PHJIWVCYARGEAF-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD O=C(N[C@H](c1ccc(Cl)cc1)C1CCC1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 469377741 VTFFXQPNFUFBQG-NRFANRHFSA-N 441.871 4.173 5 20 IIBD O=C(Nc1cccc(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1)c1ccccc1 470604647 APTUOLWDXCFNPW-UHFFFAOYSA-N 432.436 4.142 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 471504278 SFIFDOQAVGRQAD-RDJZCZTQSA-N 446.500 4.455 5 20 IIBD Cc1ccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c(-c2nc(C3CC3)no2)c1 471628474 QDMCAJNAPKLXQO-UHFFFAOYSA-N 430.424 4.269 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@@]4(CCCN(Cc5ccccc5)C4)C3)o2)cc1 475729629 OHZDQHYTIIFFTI-XMMPIXPASA-N 433.512 4.133 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1cc(F)ccc1OC[C@H]1CCCO1 477485110 QKYAHMRYSJTWNY-MRXNPFEDSA-N 437.855 4.309 5 20 IIBD Cc1ccc(Cn2cccc(NC(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])c2=O)cc1 477601542 ZPILFEMIXSIAKW-UHFFFAOYSA-N 440.887 4.131 5 20 IIBD CS(=O)(=O)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c1 478461613 YGMCYKJKQWKYQK-UHFFFAOYSA-N 426.450 4.184 5 20 IIBD CCCC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1 479410945 SFPCXFBOIUBCKV-UHFFFAOYSA-N 425.894 4.404 5 20 IIBD O=[N+]([O-])c1ccc2oc(CN3CCO[C@@H](c4ccc(F)c(Br)c4)C3)nc2c1 481617405 SDTVCLKCUXEAEO-QGZVFWFLSA-N 436.237 4.211 5 20 IIBD Cc1cc(-c2csc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)n2)c(F)cc1F 482587207 DWWIFGLVKSQNHH-UHFFFAOYSA-N 433.392 4.328 5 20 IIBD CCc1c(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cnn1-c1cccc(Cl)c1 482754327 JHMMDJIXRLYNES-UHFFFAOYSA-N 430.848 4.022 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(NC(=O)c2ccc(C)s2)CC1 486675847 MMNNVZONYLRAKL-UHFFFAOYSA-N 433.555 4.111 5 20 IIBD CC(C)c1c(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cnn1-c1ccccc1 486861126 XZQHSVPXYRAKLF-UHFFFAOYSA-N 434.500 4.258 5 20 IIBD C[C@H](Nc1ccc(C(=O)N(CCO)CC2CCCCC2)cc1[N+](=O)[O-])c1ccccn1 487173030 NEVZDSRQNFEKJB-KRWDZBQOSA-N 426.517 4.178 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1nc(-c2ccncc2)cs1 488249897 LLMBXZGUGZCWSS-CYBMUJFWSA-N 444.538 4.343 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCC[C@H](c2nnc3n2CCC3)C1 488941879 KMBODXILPWDFPS-INIZCTEOSA-N 449.536 4.304 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCS[C@H]4COCC[C@H]43)cc2[N+](=O)[O-])cc1 489022602 XTZQSIBAXWEOAU-XLIONFOSSA-N 430.551 4.401 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)cc1[N+](=O)[O-] 489552980 PCJVGTUXAQVWNX-RHSMWYFYSA-N 430.892 4.112 5 20 IIBD CCCN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H](C)C(=O)Nc1ccccc1C 490015308 SGMRPYBJBPZNCN-AWEZNQCLSA-N 435.427 4.384 5 20 IIBD O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1csc(-c2ccc(Cl)cc2)n1 490394194 BAWYFGIZLZZTNT-UHFFFAOYSA-N 426.845 4.409 5 20 IIBD Cn1ccnc1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 493954023 AWWCMCPAOMBWFX-IBGZPJMESA-N 433.512 4.035 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C/C(C)=C/c1ccccc1 494854101 RDKXNTZGWYDUIJ-UEBLJOKOSA-N 441.553 4.008 5 20 IIBD CC(=O)CCc1ccc(O[C@H](C)C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 498133358 AYFJKXHAOIVWIY-OPAMFIHVSA-N 428.510 4.158 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 500347261 UGTYZVRGBKJNKJ-UHFFFAOYSA-N 448.262 4.246 5 20 IIBD O=C(N[C@H](COc1ccccc1F)c1ccccc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 500713497 KVPKBBZQELRRML-HXUWFJFHSA-N 446.438 4.470 5 20 IIBD CCOc1cc(CN[C@@H]2CC[C@@H](C)C[C@@H]2C)ccc1OCCn1c([N+](=O)[O-])cnc1C 500923956 VUPVYGUDVBQBGL-FUHIMQAGSA-N 430.549 4.492 5 20 IIBD CCOc1cc(NC(=O)NCCNc2nc3ccccc3s2)c([N+](=O)[O-])cc1OCC 504944448 OGFKWNSJFRGFOJ-UHFFFAOYSA-N 445.501 4.236 5 20 IIBD Cc1ccc(S(=O)(=O)NCc2cccc(COCc3ccccc3)c2)c([N+](=O)[O-])c1 507433163 ZEZBLNXACSXEKN-UHFFFAOYSA-N 426.494 4.099 5 20 IIBD COc1ccc(CNCCn2cnc3ccccc32)cc1OCc1ccc([N+](=O)[O-])cc1 507937022 ZKNILJFOWLYMID-UHFFFAOYSA-N 432.480 4.322 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)Cc2ccc3c(c2)OCO3)cc1 509082199 JAPKZBCTLINVLG-UHFFFAOYSA-N 436.420 4.397 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1ccc(Br)c2cccnc12 509376553 BFHVHKKVKLTSMM-UHFFFAOYSA-N 442.678 4.360 5 20 IIBD Cc1c(Br)cc(C(=O)N2C[C@@H](n3cccn3)Cc3ccccc32)cc1[N+](=O)[O-] 510374273 HTFOUJPLIPREFQ-INIZCTEOSA-N 441.285 4.306 5 20 IIBD O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 510825796 OZBJTJRAQSNDEV-UHFFFAOYSA-N 448.426 4.144 5 20 IIBD CCOc1cc(C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)c([N+](=O)[O-])cc1OC 511367197 MYAKHYBANDRXGX-HNNXBMFYSA-N 430.457 4.202 5 20 IIBD Cc1nn(C)c2n[nH]c(NC(=O)c3ccc(NCc4ccccc4Cl)c([N+](=O)[O-])c3)c12 511797687 WKNGUECZDMHMCU-UHFFFAOYSA-N 439.863 4.031 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CCN(c4ccccn4)C3)o2)c(Br)c1 513517265 GYSARTBJCPBASR-CQSZACIVSA-N 443.301 4.381 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O 513527847 KONSCFPDMTZQRF-QEEYODRMSA-N 445.516 4.083 5 20 IIBD O=C(CSCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 513814672 DYFISXXVXLASLD-LJQANCHMSA-N 428.510 4.353 5 20 IIBD CC1CCN(c2ccc(C(=O)NC[C@@H](c3cccs3)N3CCCC3)cc2[N+](=O)[O-])CC1 514707746 IAGRJZYYHFBZLT-NRFANRHFSA-N 442.585 4.460 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@@H]2c2cccc(Br)c2)cc1 515521496 XWALZAPVNGVJCP-QGZVFWFLSA-N 425.304 4.024 5 20 IIBD CCOc1cc(NC(=O)c2cc(F)cc3nc(C)c(C)nc23)c([N+](=O)[O-])cc1OCC 515602017 KZGPJNIAGCELJB-UHFFFAOYSA-N 428.420 4.344 5 20 IIBD C[C@H]1CN(c2ccccc2NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C[C@@H](C)O1 515616721 IRRBAIWQWCLTJN-KDURUIRLSA-N 441.531 4.407 5 20 IIBD COc1ccc(CNC(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1[N+](=O)[O-] 515768804 IYXDPTKNQYRUSY-UHFFFAOYSA-N 435.362 4.130 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 516165080 MWWXPVXDUGNSGZ-UHFFFAOYSA-N 436.443 4.028 5 20 IIBD Cc1nc(C)c(CCNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)s1 517457365 PAFJAXVLNPAAJY-ZDUSSCGKSA-N 425.514 4.209 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCCOc1ccc(F)c(F)c1 518016286 IKECKBXOVHVGAD-UHFFFAOYSA-N 436.358 4.179 5 20 IIBD CC(C)(CC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1 520014228 XUYNVVPHIMGMTP-UHFFFAOYSA-N 445.522 4.191 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 520073783 QBSQKVISZMEVFI-HNNXBMFYSA-N 431.539 4.335 5 20 IIBD Cc1ccccc1CN(Cc1ccccn1)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 520497835 HISZUUFASDHUTB-UHFFFAOYSA-N 427.464 4.327 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc(NC(=O)NCc2ccco2)cc1 521559757 JIGYJDDYJYVJFE-UHFFFAOYSA-N 433.424 4.103 5 20 IIBD COc1cc(C(=O)N2CCCn3nccc32)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 522126951 XRLWGONFZXTRFJ-UHFFFAOYSA-N 428.832 4.296 5 20 IIBD COc1ccc(CC[C@H]2CCCCN2S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1OC 522351793 BQCSSHICUFJSPW-GOSISDBHSA-N 448.541 4.096 5 20 IIBD COCCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)[C@@H](C)c1cccc(C(F)(F)F)c1 523223087 KATDWSNFNOPYIN-AWEZNQCLSA-N 442.438 4.053 5 20 IIBD COc1ccccc1-c1nn(C)cc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 525341045 SIDVHTCPMNJPAK-UHFFFAOYSA-N 435.465 4.380 5 20 IIBD COc1ccc([C@H](NC(=O)c2c([N+](=O)[O-])c(C)nn2C)c2ccccc2Cl)c(C)c1 525729403 ABGJAZBLVUTBIB-SFHVURJKSA-N 428.876 4.127 5 20 IIBD O=C(Nc1ccc(-c2ncco2)cc1)c1cc(I)cc([N+](=O)[O-])c1 534299883 JETUTNIDBDRZRZ-UHFFFAOYSA-N 435.177 4.107 5 20 IIBD COc1ccccc1N1CC[C@@H](SCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1=O 536304119 ORDLOOGXJKSXBE-LJQANCHMSA-N 425.466 4.297 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(CCN3CCCC3)c2)c(C(F)(F)F)c1 536700185 QSXPIPMEQRYFJI-UHFFFAOYSA-N 443.447 4.053 5 20 IIBD COCCOc1c(Cl)cc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1Cl 536920963 NXMGPMJQSVEEQX-UHFFFAOYSA-N 428.272 4.291 5 20 IIBD Cc1ccccc1Cn1c(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)nc2ccccc21 537805965 RQCDDFAMQSXQHD-UHFFFAOYSA-N 430.420 4.282 5 20 IIBD C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](C(=O)Nc1ccccc1)c1ccccc1 539075099 UVUMGCFQLJLMEO-GAJHUEQPSA-N 432.480 4.282 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-] 541137569 CBZJFIJEPOAQNL-OAHLLOKOSA-N 435.436 4.212 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@@H](n2cccn2)Cc2ccccc21 541260864 VLXNDAHCWFXKRU-INIZCTEOSA-N 428.901 4.367 5 20 IIBD Cc1ccsc1[C@H](Cc1ccccc1)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 541596661 FLKZHCWVUJIUJM-KRWDZBQOSA-N 439.493 4.206 5 20 IIBD COc1ccc(C2(CNC(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)CCC2)cc1 543231788 OCYKOSJEPHKWEN-UHFFFAOYSA-N 439.512 4.278 5 20 IIBD O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 549298708 GVWXARSQWOHVCN-UHFFFAOYSA-N 445.504 4.229 5 20 IIBD CC1(C)C(=O)N[C@H]1C1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 554650665 KQXHHHHXINSQFN-FQEVSTJZSA-N 439.537 4.123 5 20 IIBD COc1cc(Cc2noc([C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)ccc1C 554789586 CTJIBADLIBCVLF-LJQANCHMSA-N 436.468 4.171 5 20 IIBD O=C(NCc1ccncc1OCc1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 560717681 UYEMDBPJBAEWQW-UHFFFAOYSA-N 432.480 4.099 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)s1 561820579 PKVVIZNAWPWTHC-CYBMUJFWSA-N 438.303 4.029 5 20 IIBD CSc1ccc([C@H](CN[C@H](c2ccc([N+](=O)[O-])cc2)c2nccn2C)N(C)C)cc1 567395988 NIVJVKMJDBHMPK-LEWJYISDSA-N 425.558 4.032 5 20 IIBD O=C(Nc1cc(C2CCCC2)nn1-c1ccccc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 585714618 HOLSTDDGSFXJIC-UHFFFAOYSA-N 443.467 4.271 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccc(Oc2cccnc2)cc1 588853553 PBUXAYUJPAQWAA-KRWDZBQOSA-N 448.479 4.428 5 20 IIBD CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NCc1cccc([N+](=O)[O-])c1 590614088 UTEMPCJTAOHSOT-UHFFFAOYSA-N 434.562 4.084 5 20 IIBD O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 603659706 OWRYJYFPCDEPBV-UHFFFAOYSA-N 433.449 4.091 5 20 IIBD O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 604503558 PRYIHHWQBZEVGZ-QGZVFWFLSA-N 428.395 4.189 5 20 IIBD Cc1ccccc1NC(=O)[C@@H]1CCc2ccccc2N1C(=O)Cc1ccc([N+](=O)[O-])cc1 608799700 BYCPSBYHUODRLY-QHCPKHFHSA-N 429.476 4.432 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccnn1Cc1cccc2ccccc12 608955134 QNOJYPOTWHOPBA-UHFFFAOYSA-N 442.884 4.447 5 20 IIBD O=C(CC1(CC(=O)Nc2nccs2)CCCCC1)NCCc1ccc([N+](=O)[O-])cc1 609316516 OYIRLIBJHYBRFB-UHFFFAOYSA-N 430.530 4.079 5 20 IIBD Cc1cccc(COc2cccc(NC(=O)N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)c2)c1 609555668 ALAWVPSEFULBBL-UHFFFAOYSA-N 447.495 4.231 5 20 IIBD O=[N+]([O-])c1ccc2ncnc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2c1 609848465 LWEKEROTOXZTQG-UHFFFAOYSA-N 425.492 4.450 5 20 IIBD CN(C)CC[C@H](NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)C(C)(C)C 609860908 ASPVTDDXYWQBPW-INIZCTEOSA-N 442.347 4.184 5 20 IIBD Cn1ccnc1[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(Cl)cc1 610037905 OILHDRIWQMJNEC-MRXNPFEDSA-N 449.692 4.264 5 20 IIBD COc1ccccc1-c1ccc([C@@H](C)NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1 610188917 BOSIYMUOLWAJLV-OAHLLOKOSA-N 447.447 4.056 5 20 IIBD COc1ccccc1-c1ccc([C@@H](C)NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 610204719 YNDHQBJIMOSEOT-SJORKVTESA-N 447.491 4.266 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2Cc2ccccc2)cc1OC 619564199 YPHWCAQSKJCGOL-UHFFFAOYSA-N 436.464 4.472 5 20 IIBD COc1ccc(-c2nc(COC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])cs2)cc1OC 725934774 IDGWQYSQTXTFES-UHFFFAOYSA-N 436.392 4.371 5 20 IIBD O=C(N[C@H]1C[C@@H]1c1cccc(Br)c1)c1ccc(Br)c([N+](=O)[O-])c1 726518644 MBLXTGSYIFBISI-OCCSQVGLSA-N 440.091 4.406 5 20 IIBD CC(C)(NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1cccc(C(F)(F)F)c1 727343708 OLDCGXOCMVCRTO-UHFFFAOYSA-N 437.418 4.115 5 20 IIBD O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc(-c2ccco2)nc2ccccc12 731504897 FNUYPRDYUUNOIE-QFIPXVFZSA-N 443.415 4.365 5 20 IIBD COc1cc(/C=C(/C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)ccc1O 731710964 UPLJIJKHNQOSLX-UDWIEESQSA-N 433.416 4.276 5 20 IIBD C[C@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NCc1cc([N+](=O)[O-])cc2c1OCOC2 731847853 ZLLPHAOBTYWWHM-NYHFZMIOSA-N 435.521 4.025 5 20 IIBD Cn1cc(C(=O)OCc2ccc(OCc3cccnc3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 733461106 AZHZDFONWMNDAV-UHFFFAOYSA-N 444.447 4.326 5 20 IIBD CCOC(=O)c1oc2ccccc2c1CNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] 734140936 GGJXDYKRDLBNJU-UHFFFAOYSA-N 425.441 4.268 5 20 IIBD CCOC(=O)c1cc(Br)ccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 741576931 SUUYDSAFQKLVGI-UHFFFAOYSA-N 427.638 4.440 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Oc2ccc(OC(F)(F)F)cc2)ccc1[N+](=O)[O-] 744333856 JURMWKRBEAIRFT-KRWDZBQOSA-N 438.358 4.012 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 744421086 DRRPKRWARXEFHV-ZDUSSCGKSA-N 448.863 4.027 5 20 IIBD COc1cc(C(=O)O[C@H](C)c2nnc(-c3cccs3)o2)c([N+](=O)[O-])cc1OC(F)F 744534710 RYUNFLFVHLKVAO-MRVPVSSYSA-N 441.368 4.234 5 20 IIBD COc1ccc(CC(=O)O[C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)cc1[N+](=O)[O-] 744943592 HHPDMCMTEVJUMM-LBPRGKRZSA-N 431.832 4.078 5 20 IIBD C[C@H](OC(=O)[C@H](C)CC(=O)c1ccccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 745488632 JZGSSGPFYAGXHY-NEPJUHHUSA-N 436.823 4.167 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2c(F)ccc(C)c2N)c2ccccc2)c([N+](=O)[O-])c1 747268659 HALZLEFCBZMZGF-NRFANRHFSA-N 437.427 4.470 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1C[C@H]1c1cccc(Br)c1 747523196 XYVCIIFIDHPXPD-DLBZAZTESA-N 434.242 4.071 5 20 IIBD CCC[C@@H](NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)c1ccccc1 748953017 ZSXIHSOPNCCXDX-CRAIPNDOSA-N 443.456 4.323 5 20 IIBD O=C(OCc1cn2cc(Cl)cc(Cl)c2n1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 750131965 BDKYVBUTNKDTNL-UHFFFAOYSA-N 432.223 4.092 5 20 IIBD Cc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)OCCn1ccc([N+](=O)[O-])n1 750578236 YXLJLNGRYUDTHW-UHFFFAOYSA-N 445.273 4.145 5 20 IIBD CN(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2I)cc1Cl 751348561 LFJLBIKILUGLQH-UHFFFAOYSA-N 445.644 4.171 5 20 IIBD CCc1cccc(C)c1NC(=O)COC(=O)c1cc([N+](=O)[O-])c(Br)cc1F 751692641 QKHAWDLXHQJNRU-UHFFFAOYSA-N 439.237 4.163 5 20 IIBD C[C@@H]1C[C@H](CCNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 753149378 LZMFTODTIFCPLA-HUUCEWRRSA-N 445.903 4.436 5 20 IIBD Cc1cc(Br)ccc1NC(=O)COC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F 755069129 UTMMYVJUKAODAN-LLVKDONJSA-N 439.237 4.090 5 20 IIBD CN(C)c1ccc(N(Cc2ccc[nH]2)C(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cc1 757984091 HUZPGYSVXZIHPI-UHFFFAOYSA-N 431.452 4.090 5 20 IIBD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)c3cc(F)cc(C)c3[N+](=O)[O-])ccc21 758468028 WYCDWUZHRBAUCI-UHFFFAOYSA-N 426.448 4.118 5 20 IIBD O=C(OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1scnc1C1CCCC1 760203767 LLAHQRMIUOKUDK-HNNXBMFYSA-N 429.498 4.171 5 20 IIBD Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)c(-c2nc(C3CC3)no2)c1 760362605 RDKJHKJHWBWEBI-UHFFFAOYSA-N 432.433 4.079 5 20 IIBD O=[N+]([O-])c1ccc(I)c(-c2nc(Cc3c(F)cccc3F)no2)c1 761561597 UAVPQJPZOSXZGP-UHFFFAOYSA-N 443.147 4.118 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2c1nc(CCNc2ccccc2[N+](=O)[O-])no1 761970518 USVKRHOMCHEIJG-OAHLLOKOSA-N 443.504 4.137 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 762279939 OPGBGBBFHCRLCN-ZDUSSCGKSA-N 435.889 4.266 5 20 IIBD O=Cc1ccc(OCC(=O)N2CCc3ccccc3[C@H]2Cc2ccccc2)c([N+](=O)[O-])c1 762392148 GEUSBTZOTGDOLE-JOCHJYFZSA-N 430.460 4.155 5 20 IIBD O=C(Oc1ccc(Sc2ccncc2)cc1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 766570324 LBILRHMDRJUYMB-UHFFFAOYSA-N 449.444 4.014 5 20 IIBD CC[C@H](OC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1F 766856318 RQXSQBZMJSHIBX-KRWDZBQOSA-N 434.807 4.349 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc(F)cc3C(=O)N(C)C)cc2[N+](=O)[O-])C1 767147085 DRWIJUAZNHBDCA-GJZGRUSLSA-N 442.491 4.170 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCO[C@@H](c2ccccc2Br)C1 769747844 ZNCJDQQCKSGFIJ-QGZVFWFLSA-N 433.302 4.496 5 20 IIBD Cc1nn(CN2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)c2ncc([N+](=O)[O-])cc12 769781312 NKXBDEHMSAFXOS-QGZVFWFLSA-N 437.447 4.414 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc(OC2CCOCC2)nc1 775261915 NQIRXFMHUODONC-UHFFFAOYSA-N 432.498 4.405 5 20 IIBD CC[C@@H](C)N(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Cc1nc(O)c2ccccc2n1 776151461 OUEDSIYBRZDIQS-CYBMUJFWSA-N 443.891 4.136 5 20 IIBD Cc1nc(-c2ccc(Br)cc2Cl)nn1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 776277504 MVERMVCYMNCKSC-MRXNPFEDSA-N 437.681 4.311 5 20 IIBD CCSc1cc(CNc2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])ccn1 777828452 OMDMBQYJKLCZHA-UHFFFAOYSA-N 443.279 4.393 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(CNC(=O)OC(C)(C)C)cc2)cc1[N+](=O)[O-] 777839366 UMMOENZTVNAVGD-UHFFFAOYSA-N 430.417 4.088 5 20 IIBD C[C@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@H](C)CN1C(=O)OC(C)(C)C 780990934 VDUDKJYYEIHYBN-CVEARBPZSA-N 435.524 4.151 5 20 IIBD CC(C)CCc1noc(COC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)n1 781256938 HNJQYKNPXLEAGH-UHFFFAOYSA-N 427.407 4.288 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 781259103 JAVHLSKUTZKNAJ-OAQYLSRUSA-N 432.863 4.297 5 20 IIBD CC(C)(C)Oc1c(F)cc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1F 785114239 LFOXZWKEGLQTBH-UHFFFAOYSA-N 427.791 4.281 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cc(-c2ccccn2)nc2ccccc12 785441081 IYRNDGNXUSQWHL-UHFFFAOYSA-N 443.415 4.429 5 20 IIBD CC(C)(C)OC(=O)NCc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c1 786777920 XQTAOZKYOVCDSL-UHFFFAOYSA-N 437.399 4.473 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cccc3ccc(Cl)nc23)c(Br)c1 786882989 YTDCAFJTRMJMBL-UHFFFAOYSA-N 443.662 4.327 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)OCC(=O)Nc3cc(F)ccc3F)cc2[N+](=O)[O-])C1 787424249 HQKQKTPKOPZHEJ-ZIAGYGMSSA-N 447.438 4.151 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(F)c(-c3nnc4n3CCCCC4)c2)c1F 788132893 MRTQDWKNRVFOKE-UHFFFAOYSA-N 427.411 4.419 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@@H]1CCCN(Cc2cccs2)C1 790544983 AIGWLRYBUXAGNJ-ZDUSSCGKSA-N 425.913 4.020 5 20 IIBD O=C(c1csc(-c2ccccn2)n1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791243977 HOJUPBBJSFNHPP-UHFFFAOYSA-N 445.298 4.074 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1csc(COc2ccc(F)cc2)n1 791575195 SKNJIBJMKRYJOL-UHFFFAOYSA-N 433.373 4.035 5 20 IIBD CN1C(=O)C[C@@H](C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)[C@H]1c1ccc(Cl)c(Cl)c1 792525495 OEQDYFDXOKJNQF-VVVCHXIZSA-N 444.221 4.338 5 20 IIBD O=C(NC[C@@H]1CCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1)OCc1ccccc1 794049333 RZGGERPWCNWGDC-INIZCTEOSA-N 431.876 4.027 5 20 IIBD Cc1nc(C(C)C)oc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 796213451 YWPHRDHSBWVWQO-SNVBAGLBSA-N 429.351 4.217 5 20 IIBD CC(C)c1[nH]nc(C(=O)OCc2coc(-c3ccc(Br)cc3)n2)c1[N+](=O)[O-] 796255268 KBQPRSJASRDBGN-UHFFFAOYSA-N 435.234 4.216 5 20 IIBD O=[N+]([O-])c1cccc(OS(=O)(=O)c2cc(C(F)(F)F)ccc2Br)c1 798422963 RBADRVAAIGYVML-UHFFFAOYSA-N 426.166 4.144 5 20 IIBD C[C@@H](OC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 798785880 XSLJYIHPSVGYAR-GHMZBOCLSA-N 428.338 4.427 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)CC1 799053253 OVMFCSJJPNFFBS-ANEJOOLBSA-N 429.561 4.233 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)O[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)c1F 803457854 CPKZYOYRJWZLEH-OAHLLOKOSA-N 427.215 4.311 5 20 IIBD C[C@@](O)(CSc1cccc(F)c1)C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1 803802634 PQNBLKPKOJLFQD-QGZVFWFLSA-N 444.278 4.083 5 20 IIBD CC1(C)CN(S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])[C@@H]1c1cccs1 805149654 LCYSJFGDVYNNIQ-CQSZACIVSA-N 449.323 4.330 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 805196466 XFPCFEMSJZNATH-JOCHJYFZSA-N 428.920 4.056 5 20 IIBD O=C(Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1)c1cccc(CO)c1 813385367 OSOVGRSLGQPVBV-UHFFFAOYSA-N 426.812 4.212 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 814429604 WUANPFVNBFXFOD-SJORKVTESA-N 447.532 4.103 5 20 IIBD O=[N+]([O-])c1ccc(I)c(-c2nc(-c3ccc(F)cc3F)no2)c1 815701791 CIDNOOMCRNNRBN-UHFFFAOYSA-N 429.120 4.195 5 20 IIBD COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)SCc2cc([N+](=O)[O-])ccc2OC)c1 861872444 OYQJVNKWLVUXFS-UONOGXRCSA-N 434.514 4.120 5 20 IIBD COc1ccc(CSCC(=O)O[C@@H](C)C(=O)Nc2ccc(C)c(C)c2)cc1[N+](=O)[O-] 914799407 AXXNBKFDHTVZRO-HNNXBMFYSA-N 432.498 4.024 5 20 IIBD C[C@@H](OC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C(=O)N1CCCCC1 916613025 OABAFHPJHJYVOT-OAHLLOKOSA-N 445.903 4.418 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 917069024 INRYIKKHJNQGIZ-UHFFFAOYSA-N 446.841 4.473 5 20 IIBD CCCn1cc(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)ccc1=O 918115356 AYYJWHGDJHRRRW-UHFFFAOYSA-N 430.511 4.335 5 20 IIBD C[C@@H](OC(=O)c1cccc(COc2cccc(C=O)c2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 1251698890 OTSHRXBZRMHFMO-MRXNPFEDSA-N 448.431 4.170 5 20 IIBD COc1cccc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1Br 1325671214 BROYDLCQTDVMOL-UHFFFAOYSA-N 431.246 4.019 5 20 IIBD CCN(CC)Cc1ccc(-c2nnc(-c3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])o2)o1 1328350161 XHNJAJHBKAJEKH-UHFFFAOYSA-N 438.387 4.357 5 20 IIBD O=C(Cc1ccsc1)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1 1788232266 LDHPSKVGHAQEIP-UHFFFAOYSA-N 425.466 4.240 5 20 IIBD Cc1cnoc1C(=O)NC1(c2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2)CCC1 1790697920 ZJEXTOGMEYKMQV-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD COc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccncc4)CCC3)cc2)ccc1[N+](=O)[O-] 1792164176 YCMVJLKHXAZXJG-UHFFFAOYSA-N 446.463 4.060 5 20 IIBD CCCCC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1cccc([N+](=O)[O-])c1 1793943744 JSBQHUYGOCKDNU-AYWYSENESA-N 429.561 4.382 5 20 IIBD O=C(Cc1ccc(Cl)cc1[N+](=O)[O-])N1CCCC2(CCN(C(=O)C3CCCC3)CC2)C1 1805480620 REXCPALCRPLXBU-UHFFFAOYSA-N 447.963 4.212 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2sccc2Cl)[nH]n1)c1ccc([N+](=O)[O-])o1 1814310431 FUTURIIQEXGYMG-LBPRGKRZSA-N 449.876 4.246 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])[nH]n1)[C@@H]1CC=CCC1 1814792884 XHIZFYNCCNCFJU-RDTXWAMCSA-N 441.463 4.119 5 20 IIBD Cc1occc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830615027 OKFANMVQFQSXQQ-OAQYLSRUSA-N 443.475 4.182 5 20 IIBD O=C(CC1CCCC1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 1830703121 NTHRCUZXYCXZFM-QFIPXVFZSA-N 443.544 4.114 5 20 IIBD Cc1cc(C(=O)N2CCCC23CN(C(=O)CCCCCC(C)(C)C)C3)ncc1[N+](=O)[O-] 1843518000 AVOPZKSMYVRAIB-UHFFFAOYSA-N 430.549 4.112 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CC2(CCCN2C(=O)c2ccccc2C2CC2)C1 1846779176 ZBNZXXWBSYGXTJ-UHFFFAOYSA-N 437.471 4.051 5 20 IIBD COc1ccc(C[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)c2ccc(OC)cc2)cc1 18110215 MFIBIUPMXIIUHQ-HSZRJFAPSA-N 436.464 4.091 5 20 IIBD CCOc1cc(C(=O)OCc2csc(-c3ccc(OC)cc3)n2)c([N+](=O)[O-])cc1OC 19473907 DKTZGJUODYFUFA-UHFFFAOYSA-N 444.465 4.491 5 20 IIBD COC(=O)c1cc(C(=O)Nc2nc3c(C(F)(F)F)cccc3s2)cc([N+](=O)[O-])c1 21769111 WJCLQMJBCVAKIF-UHFFFAOYSA-N 425.344 4.262 5 20 IIBD Cc1cccc(C(=O)OCC(=O)N2CCC(c3nc4ccccc4s3)CC2)c1[N+](=O)[O-] 27201846 MJNLMXLYWIPOTR-UHFFFAOYSA-N 439.493 4.076 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 27820809 IYNCQTFSYUCNTH-UHFFFAOYSA-N 444.459 4.261 5 20 IIBD Cc1cc(=O)c(C(=O)Nc2ccc(OC3CCCC3)cc2)nn1-c1ccccc1[N+](=O)[O-] 29026140 NFAXIDMAQIEXLI-UHFFFAOYSA-N 434.452 4.023 5 20 IIBD COc1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1OCc1cccnc1 31409408 CPFNEXPWVPVMRH-UHFFFAOYSA-N 434.452 4.404 5 20 IIBD O=C(CSc1ccccc1C(=O)NCc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1 59785937 JWEKPJVIRMHXTI-UHFFFAOYSA-N 439.468 4.395 5 20 IIBD Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 61232486 JBWLFCWIULTFEP-UHFFFAOYSA-N 433.468 4.389 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCC(Nc2ccc(F)cc2)CC1 63584038 SZTYEEYZLIOUJW-UHFFFAOYSA-N 441.381 4.392 5 20 IIBD Cc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)CCn2cc([N+](=O)[O-])cn2)c(C)c1 63594524 YIILKBHMACSBFL-UHFFFAOYSA-N 430.468 4.290 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccnc(OCc2ccccc2)c1 64420687 BRABFNODICXJNA-OAHLLOKOSA-N 441.871 4.306 5 20 IIBD CC[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1nc(-c2ccccc2)c[nH]1 109018580 DUYNUQNKCQTRQV-IBGZPJMESA-N 433.512 4.469 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CNCc3cc(Br)c4c(c3)OCO4)cs2)c1 236655477 YKRKVBDQRQQWOM-UHFFFAOYSA-N 448.298 4.499 5 20 IIBD O=C(Nc1cccc(CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])c1)c1ccc(F)cc1 301091635 MWFNEDSIBJKGKB-UHFFFAOYSA-N 448.454 4.491 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NCC2(c3cccc(Cl)c3)CCOCC2)c1[N+](=O)[O-] 301108168 RDCJBWZNRULKPC-UHFFFAOYSA-N 435.864 4.117 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 301404766 KZDPMJNFDZAJFZ-GOSISDBHSA-N 438.267 4.436 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC2(CCN(C)CC2)Oc2ccccc21 301749633 OVDHJBORGGNBHD-JXFKEZNVSA-N 441.553 4.180 5 20 IIBD Cc1nc(N[C@H]2CCc3c(O)cccc32)nc(N[C@H]2CCc3c(O)cccc32)c1[N+](=O)[O-] 301988002 LHTGDEIQJZXKRO-ROUUACIJSA-N 433.468 4.303 5 20 IIBD Cc1ccc(Oc2ccccc2NC(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)cc1 302919174 DUMLGACDBHQWQX-UHFFFAOYSA-N 430.420 4.044 5 20 IIBD O=C(NCCCc1nnc2n1CCCCC2)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 303216153 SVPCBKKBBMDWST-UHFFFAOYSA-N 434.500 4.019 5 20 IIBD C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)C1 303436497 GZCKIHXHAFUXPO-GJZGRUSLSA-N 448.479 4.219 5 20 IIBD COc1ccc(-c2ccc(CNC[C@@H](c3ccccc3OC)N(C)C)o2)c([N+](=O)[O-])c1 409721305 PIUCEKMQBKMBDV-NRFANRHFSA-N 425.485 4.265 5 20 IIBD COc1ccc(CN(CC2CC2)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c(OC)c1 409785218 QRLPJVGAEAGXKR-UHFFFAOYSA-N 433.892 4.387 5 20 IIBD O=C(NCc1ccc(-n2cncn2)cc1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 410403487 WXKYMHBJDCHGNZ-UHFFFAOYSA-N 431.477 4.257 5 20 IIBD C[C@@H](c1ccsc1)N1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 426268571 SWGJVCCANRJDCQ-ZDUSSCGKSA-N 442.463 4.264 5 20 IIBD Cc1noc(C[C@@H](Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)c2ccccc2)n1 428683454 SGNVVNDSEINUTR-LJQANCHMSA-N 431.452 4.656 5 20 IIBD Cc1ccc(-c2csc(NC(=O)c3ccc4c(c3)NC(=O)[C@@H](C)N4C)n2)cc1[N+](=O)[O-] 431910576 WCEBQIQJXMNLPO-GFCCVEGCSA-N 437.481 4.056 5 20 IIBD C[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C[C@@]2(CCCOC2)O1 432163695 OXLSLITVXILCMY-OPAMFIHVSA-N 427.457 4.189 5 20 IIBD CC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1nc(C(F)(F)F)cs1 432184728 FFIBZSMLYYHJKV-LLVKDONJSA-N 440.403 4.265 5 20 IIBD CC(=O)Nc1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cn1 433180147 VMIDJKWPJYNYRW-UHFFFAOYSA-N 445.273 4.261 5 20 IIBD CCC[C@@H]1CCc2nc(NC(=O)C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)sc2C1 434913698 KXOXAOUAAJOFLZ-MRXNPFEDSA-N 444.557 4.034 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1nc([C@H]2C[C@H]3CC[C@H]2C3)cs1 434999335 KVSNDIYEDQVSKH-BQFCYCMXSA-N 442.541 4.331 5 20 IIBD Cc1c(NC(=O)NC[C@](C)(CO)Cc2ccccc2)cc(Br)cc1[N+](=O)[O-] 435326837 DZOGSLSROFTNPJ-LJQANCHMSA-N 436.306 4.029 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 437062775 JXAGATWLKGHLSL-KOMQPUFPSA-N 435.402 4.231 5 20 IIBD Cc1nc(-c2ccccc2)sc1NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 437063792 MHBXGVGAWAJXOK-UHFFFAOYSA-N 436.493 4.156 5 20 IIBD COc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)c(OCc2ccccc2)c1 439022350 RNBLZSMLOZZQPF-UHFFFAOYSA-N 438.436 4.209 5 20 IIBD Cc1nc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)nn1-c1ccc(F)cc1 440610074 LMEVATMVHKSKIN-UHFFFAOYSA-N 431.427 4.470 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 443398821 LALIBJQCGBWFCL-MRXNPFEDSA-N 443.257 4.385 5 20 IIBD CS(=O)(=O)c1cccc([C@H](NC(=O)c2ccccc2[N+](=O)[O-])c2ccc(Cl)cc2)c1 443939806 XUCKQGPNSBJTMS-HXUWFJFHSA-N 444.896 4.171 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@@H](CN3CCCCC3)C2)c([N+](=O)[O-])c1 444218329 XSZKZDOLPCLGAC-RDPSFJRHSA-N 436.556 4.391 5 20 IIBD Cc1ccc(-c2cc(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)n[nH]2)s1 444695114 RSNQYZMHVUMJCT-UHFFFAOYSA-N 436.443 4.972 5 20 IIBD CCOc1cc(NC(=O)Cc2c[nH]c3cccc(OCC)c23)c([N+](=O)[O-])cc1OCC 445566703 ZTDUFILUOMXEGF-UHFFFAOYSA-N 427.457 4.453 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(OC3CCCCC3)CC2)c(C(F)(F)F)c1 447033959 NKEZDNUQFSFRPC-UHFFFAOYSA-N 436.452 4.116 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)c1sc(-c2ccccc2)nc1C 461964537 KPUINONKPIXPNB-CJNGLKHVSA-N 442.545 4.137 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@@H](c1ccco1)N1CCCCC1 462483744 GQVFSOGWCVZHDC-HNNXBMFYSA-N 448.328 4.000 5 20 IIBD COc1cc(C(=O)NCc2ccc(OCc3ccccc3F)cc2)cc([N+](=O)[O-])c1OC 464274786 WUKQRHZAIHXQAE-UHFFFAOYSA-N 440.427 4.260 5 20 IIBD C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1nc(C2CCCCC2)no1 464714652 XHGVGUGBPXQYBQ-MRXNPFEDSA-N 430.508 4.463 5 20 IIBD CCOc1c(Cl)cc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)cc1Cl 466283754 UBDLJSHNNNZYSJ-UHFFFAOYSA-N 440.283 4.389 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CC[C@@H](CN(C)CC4CC4)C3)cc2[N+](=O)[O-])n1 470217525 GVXXMUMBYMNUES-INIZCTEOSA-N 446.598 4.315 5 20 IIBD C[C@@H]1[C@@H](n2c(SCCn3cc([N+](=O)[O-])cn3)nc3ccccc3c2=O)CCC[C@H]1C 470849925 XLLAFASCXZXIGT-VCBZYWHSSA-N 427.530 4.291 5 20 IIBD COc1cc(C(=O)NC[C@@H](C)Cn2ccnc2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 473888206 QRFDTQNQYYJRFL-CQSZACIVSA-N 444.875 4.312 5 20 IIBD O=C(Nc1cccc(-n2cc(C(F)(F)F)cn2)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 477938670 DEOMFDWVDBNFPR-UHFFFAOYSA-N 442.357 4.237 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 479146769 GXXIUCAXCPWFGO-UHFFFAOYSA-N 428.854 4.015 5 20 IIBD CCn1nc(C)c([N+](=O)[O-])c1Nc1ccc(Oc2ccccc2S(=O)(=O)CC)cc1 480061233 XLZXFFDSIGJKQJ-UHFFFAOYSA-N 430.486 4.449 5 20 IIBD Cc1sc2nc(CS[C@H](C)C(=O)NCc3cccc([N+](=O)[O-])c3C)nc(O)c2c1C 481472295 CFRPUTGEONJNPL-CYBMUJFWSA-N 446.554 4.168 5 20 IIBD O=[N+]([O-])c1ccc(Sc2nnc(C3CCNCC3)n2C2CC2)nc1-c1ccc(F)cc1 485398278 ITGSBOCSULCXPO-UHFFFAOYSA-N 440.504 4.341 5 20 IIBD O=C(NCc1nc(-c2cccs2)no1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 486535024 PUIRYUXXNGIJJS-UHFFFAOYSA-N 436.449 4.215 5 20 IIBD C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cc1Cl 486762309 XUZWMMQOSWEINL-GFCCVEGCSA-N 445.859 4.244 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1C(=O)N1CCCCC1 487126484 VLAPVPZJRJEJPL-UHFFFAOYSA-N 436.512 4.382 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1CSc1nnc(N2CCOCC2)n1-c1cccc(F)c1 487715915 DRZAOISQAONLTF-UHFFFAOYSA-N 449.895 4.097 5 20 IIBD CCc1nsc(N2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3SCC(C)C)CC2)n1 489953282 AHNDHIUNURQJAB-UHFFFAOYSA-N 449.602 4.109 5 20 IIBD COc1ccc(CSCC(=O)Nc2nnc(/C=C\c3ccco3)s2)cc1[N+](=O)[O-] 490303575 XAOYHTMDQOLTMC-ALCCZGGFSA-N 432.483 4.090 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C2=NNC(=O)CC2)cc1 490798937 CWGKTDIZQKRERB-UHFFFAOYSA-N 426.498 4.209 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N(C)[C@@H]2CCN(c3ccccc3Cl)C2=O)cc1[N+](=O)[O-] 493266041 ZCKOPBOWDMXSSN-KBXCAEBGSA-N 430.892 4.065 5 20 IIBD COc1cc(CN[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])cc1OCC(F)F 493959132 ADGHLGSHUYPCOI-YWZLYKJASA-N 444.381 4.145 5 20 IIBD CC(C)c1[nH]nc(C(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)c1[N+](=O)[O-] 497877334 VJPJZXANOUXXBR-CQSZACIVSA-N 440.422 4.452 5 20 IIBD CC[C@@H](C)Sc1ccc(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(C)c1 498442815 SVYAQDVVOMQTNP-CYBMUJFWSA-N 427.482 4.029 5 20 IIBD C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)c2)C1 499192317 QJIRGEIVCPLYCE-DNVCBOLYSA-N 439.468 4.237 5 20 IIBD C[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccc(NC(=O)c2ccncc2)cc1 504245553 WOHAFAXPSZBPHU-INIZCTEOSA-N 443.463 4.074 5 20 IIBD O=C(NC1(c2ccc(C(F)(F)F)cc2)CCCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 504853940 SBXRQQKBTIWTEX-UHFFFAOYSA-N 445.401 4.394 5 20 IIBD C[C@H]1CCc2c(sc3nc(CCc4nc(-c5cccc([N+](=O)[O-])c5)no4)nc(O)c23)C1 505037418 CKEQXWJAKLXUFO-NSHDSACASA-N 437.481 4.265 5 20 IIBD C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1C 507935954 XTYMALLQJXMCAG-OAHLLOKOSA-N 441.463 4.050 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(F)c1F 509025965 CFOFYLLERACKTO-UHFFFAOYSA-N 436.127 4.177 5 20 IIBD Cc1c(Br)cc(C(=O)N2C[C@H](c3ccsc3)O[C@H](C)C2)cc1[N+](=O)[O-] 510479422 OTHASFGHDWKGSE-QLJPJBMISA-N 425.304 4.329 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)cc1OC 511745926 WBBGRORSEPFNQX-QFIPXVFZSA-N 441.528 4.033 5 20 IIBD COc1ccc2[nH]cc(C3CCN(S(=O)(=O)c4cc([N+](=O)[O-])cc(C)c4C)CC3)c2c1 511895746 YHMMZEYLYWEGCU-UHFFFAOYSA-N 443.525 4.270 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(N[C@H](C[C@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])c1 513099549 XGJQBFSCMSAIGE-DYESRHJHSA-N 447.557 4.205 5 20 IIBD CCC1(CNC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)CCN(Cc2ccccc2)CC1 514054248 KREOYRRDXUPZEA-UHFFFAOYSA-N 441.528 4.034 5 20 IIBD CCN(C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)C(c1ccccc1)c1ccccc1 514396510 OQGSKUBHFJZVBC-UHFFFAOYSA-N 431.448 4.141 5 20 IIBD Cc1c(CNC(=O)C(=O)N(C)[C@@H](C)c2ccc(-c3ccccc3)cc2)cccc1[N+](=O)[O-] 515902562 JZMMMIGPCSLGOB-SFHVURJKSA-N 431.492 4.406 5 20 IIBD COc1ccc2oc([C@H](C)NC(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)c(C)c2c1 518030286 PCBNPURHJWMEEO-INIZCTEOSA-N 438.484 4.251 5 20 IIBD O=C(Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 518242557 LHVYKICJLKSLAT-UHFFFAOYSA-N 434.383 4.301 5 20 IIBD CC(C)n1cnnc1C1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 518950650 WSGFQPHPHMCZSN-UHFFFAOYSA-N 448.527 4.399 5 20 IIBD CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)CNc1ccccc1[N+](=O)[O-] 521533648 YIGFLSGBMCNSJU-UHFFFAOYSA-N 439.299 4.191 5 20 IIBD Cc1ccc(C[C@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c2ccccn2)cc1 522329043 ODLJVHIBTOHEHK-QHCPKHFHSA-N 427.464 4.198 5 20 IIBD CSc1cccc(N(C)C(=O)c2ccc([N+](=O)[O-])cc2I)c1 523837738 IFMVSAHVGQQSLS-UHFFFAOYSA-N 428.251 4.198 5 20 IIBD NC(=O)c1ccc(SCC(=O)Nc2cc(F)ccc2Oc2ccccc2)c([N+](=O)[O-])c1 524099418 GSXHSIAVFORZRG-UHFFFAOYSA-N 441.440 4.356 5 20 IIBD Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 524379076 QKDRFCKSOJASCY-LJQANCHMSA-N 434.452 4.049 5 20 IIBD COc1cc(C(=O)NCCc2ccncc2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 524794969 JAQXXLBMTWCZAN-UHFFFAOYSA-N 427.844 4.417 5 20 IIBD CC1(C)[C@H](NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)[C@H]2CCCO[C@H]21 525082683 YKAHILTYVOSJPR-SSKCKEOISA-N 439.299 4.021 5 20 IIBD COc1ccc2c(c1)CCCN(S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C2 525175104 PFDSGDDLKPQCCR-UHFFFAOYSA-N 431.297 4.047 5 20 IIBD CCc1ccc(C(=O)N(CC(=O)Nc2cccc(C)c2C)C[C@H]2CCCO2)cc1[N+](=O)[O-] 531308923 TWSIMOKJXBIJLU-HXUWFJFHSA-N 439.512 4.034 5 20 IIBD Cn1c([C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c2ccccc2)nc2ccccc21 534642087 XYYMSGTVIMSQBE-DEOSSOPVSA-N 439.475 4.411 5 20 IIBD O=C(CCc1ncc(-c2ccccc2Br)o1)NCCc1cccc([N+](=O)[O-])c1 536239796 RKQPFTNUFVIXHX-UHFFFAOYSA-N 444.285 4.304 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN3CCC4(CC3)CCN(Cc3ccccc3)C4)o2)cc1 536488928 WQEQBEFPMFMOCZ-UHFFFAOYSA-N 433.512 4.133 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccc(OCC3CC3)c(F)c2)c([N+](=O)[O-])c1 540425445 ZVXZMNIMGDVSKN-KGLIPLIRSA-N 431.464 4.209 5 20 IIBD O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1O)c1cc(O)nc2c(Br)cccc12 541820642 GTYFIPPENPCOQU-UHFFFAOYSA-N 438.621 4.222 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc(Sc2ncccn2)cc1C 544251660 YATGOYRFYBDHCG-UHFFFAOYSA-N 425.470 4.175 5 20 IIBD COc1ccc(Cc2noc(Cn3ccc4cc([N+](=O)[O-])ccc43)n2)c(Cl)c1OC 545654158 WRDQQRLUZGAIHJ-UHFFFAOYSA-N 428.832 4.242 5 20 IIBD Cc1cc(Cc2noc(-c3ccc4c(c3)nc(O)n4CC(F)(F)F)n2)ccc1[N+](=O)[O-] 545855006 NZFOSRCHFTVPKX-UHFFFAOYSA-N 433.346 4.162 5 20 IIBD COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1OC[C@@H](O)COc1ccc2ccccc2c1 549783419 NXOUDVVJHHUZGZ-INIZCTEOSA-N 431.828 4.007 5 20 IIBD CC[C@H]1Oc2cc([C@@H](C)NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)ccc2NC1=O 551275313 DBNXQWXNBRGZRK-QLJPJBMISA-N 437.374 4.214 5 20 IIBD O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 552200418 CUPLUPGIVOPCCX-OAQYLSRUSA-N 432.480 4.157 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(c3cccc(O)c3)CC2)c([N+](=O)[O-])c1 556950877 XLULJCKANWINQX-DEOSSOPVSA-N 446.507 4.111 5 20 IIBD Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC(=O)c1cc([N+](=O)[O-])n[nH]1 560556948 GZNDNLFCIRPYDY-QMMMGPOBSA-N 436.291 4.003 5 20 IIBD CCn1c(Sc2ncnc3sc([N+](=O)[O-])cc23)nc2sc3c(c2c1=O)CCCC3 561106119 RJCVDIMATJNKLK-UHFFFAOYSA-N 445.551 4.421 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1ccc(Oc2cccnc2)cc1 563999580 ZMZSGYUZPVIUNY-INIZCTEOSA-N 436.468 4.470 5 20 IIBD O=C(NCCOc1ccc2cc(Br)ccc2c1)c1cc(O)ccc1[N+](=O)[O-] 567068660 VTTYEPGMRWAWNX-UHFFFAOYSA-N 431.242 4.025 5 20 IIBD O=[N+]([O-])c1cc(CN2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)ccc1Oc1ccccc1Cl 569044646 JSBOAEMDPBNNAC-PWIZWCRZSA-N 432.904 4.402 5 20 IIBD COc1cc(C(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1OCc1cscn1 569298052 PNRTWWILUHIHDL-CKEIUWERSA-N 431.514 4.432 5 20 IIBD CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(F)(F)F)CC1 576005918 HWQVPMVJSFOJHX-UHFFFAOYSA-N 427.427 4.059 5 20 IIBD CC(C)COc1ccccc1-c1noc(-c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)n1 577305344 LJCJDFNZTAIEBN-UHFFFAOYSA-N 436.424 4.000 5 20 IIBD Cn1c(S[C@H](C(=O)Nc2ccccc2)c2ccccc2)nc2cc([N+](=O)[O-])ccc2c1=O 579539831 WFLKPTJVIIIAPF-FQEVSTJZSA-N 446.488 4.314 5 20 IIBD CC(C)[C@H](NC(=O)c1ccccc1)c1noc(-c2cc(O)nc3ccc([N+](=O)[O-])cc23)n1 581633981 RZECQTHVDXHDAE-IBGZPJMESA-N 433.424 4.026 5 20 IIBD C[C@@H](NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(-c2cccnc2)cc1 584254230 HGISZCCDRBLBGT-QGZVFWFLSA-N 444.491 4.025 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1ccccc1)c1ccc(OC)cc1 589387531 GAZLHSLYJZQKJJ-JOCHJYFZSA-N 433.464 4.010 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CC1CC1)c1cccc(C(F)(F)F)c1 589558816 FBDFAIMLLMXRGZ-UHFFFAOYSA-N 430.404 4.228 5 20 IIBD COCCN(Cc1ccc(C)cc1C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 603520359 CBHNVYZJPBIGCC-UHFFFAOYSA-N 425.529 4.103 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3cccc(NC(=O)C(C)C)c3)cc2)c(C)c1[N+](=O)[O-] 603570467 OVFJINAMULTOAE-UHFFFAOYSA-N 435.484 4.303 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCC(OCc2ccccc2)CC1 603685671 UGFDYKLCBULRNC-UHFFFAOYSA-N 438.402 4.357 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N(C)Cc2cnc(C)s2)c([N+](=O)[O-])c1 603867563 BVUMOYWHNIQBPO-UHFFFAOYSA-N 446.554 4.211 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)Nc3ccc(S(C)(=O)=O)nc3)cc2[N+](=O)[O-])cc1 603961081 MRNXSLUGYHQBBI-UHFFFAOYSA-N 443.506 4.105 5 20 IIBD O=C(c1cc(N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-])N1CCCC1 604270903 YCPXIOLOHJFVNS-RYUDHWBXSA-N 439.356 4.398 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 604442614 LUZVOJVDWDYWMO-OAHLLOKOSA-N 428.876 4.134 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1 608874318 CBAQVNWWLDEDKN-UHFFFAOYSA-N 449.854 4.489 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N(CCc1ccccn1)Cc1ccc(F)cc1 608886736 BKPSGPXVFSAROZ-UHFFFAOYSA-N 449.891 4.216 5 20 IIBD O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1cc([N+](=O)[O-])cc2c1OCCO2 608931677 XYPDFUGAJSEBTQ-UHFFFAOYSA-N 447.163 4.400 5 20 IIBD Cc1ccc(-c2nsc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)n2)s1 608944553 AFCOMAJGRYHBJY-UHFFFAOYSA-N 429.527 4.338 5 20 IIBD CCN([C@@H](C)c1cccc(OC)c1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 609030233 OAUJZVRYZYAWJD-LBPRGKRZSA-N 443.319 4.138 5 20 IIBD COc1c(Br)cc(Cl)cc1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 609210967 XXNGXEBQKUWCME-UHFFFAOYSA-N 428.670 4.384 5 20 IIBD COc1ccc([C@@H](NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)c2ccccc2)cc1 609490226 CPSQKFDRPFEKOE-QHCPKHFHSA-N 429.432 4.377 5 20 IIBD CC[C@H]1CN(c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])C[C@H](C)O1 609513270 ZRIXZFFOTNYEHG-IRXDYDNUSA-N 433.530 4.016 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1OCCc1nc(-c2ccc(N3CCCCC3)nc2)no1 609721007 JMXQYKLOCSRTHV-UHFFFAOYSA-N 429.864 4.305 5 20 IIBD CN1CCN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c2ccccc2C1 609857762 YFHOWEMSJWMGKX-UHFFFAOYSA-N 446.294 4.180 5 20 IIBD COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1Br 610043595 AVDZIXWFFJRAAB-UHFFFAOYSA-N 444.079 4.058 5 20 IIBD C[C@H](c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c1)N1CCOCC1 610044728 MDYAXDOFQFJQHF-CYBMUJFWSA-N 434.290 4.003 5 20 IIBD COc1cc(C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc2)cc([N+](=O)[O-])c1OC 610174622 SYIQKAAGHGADQO-UHFFFAOYSA-N 436.420 4.188 5 20 IIBD CC(=O)Nc1ccccc1CNC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 610191555 XDZBBWUVHVXARF-UHFFFAOYSA-N 442.522 4.399 5 20 IIBD CCO[C@@H]1C[C@H](Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])C12CCC2 610211025 MCTNGBGYMNFODX-VQTJNVASSA-N 431.514 4.155 5 20 IIBD Cc1nn(C)cc1[C@@H]1CCCN1C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 610729401 MGRAVFVBKONIOI-KKSFZXQISA-N 434.500 4.182 5 20 IIBD O=C(Cc1ccccc1O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 725940053 YWZMINZSWAPOBD-OAQYLSRUSA-N 440.839 4.420 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 726325497 QTWCYVJHAUOEBG-UHFFFAOYSA-N 440.403 4.028 5 20 IIBD CC(=O)Nc1cc(Cl)ccc1C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 727528856 IVVWIIUXDRHDFZ-VIFPVBQESA-N 440.239 4.044 5 20 IIBD O=C(NCC(=O)Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-])NCc1ccc(Cl)cc1 727631766 LITQKMIZSDPMSY-UHFFFAOYSA-N 439.855 4.320 5 20 IIBD COc1ccc(CC(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] 727885794 HCPZPOLIYLVXJB-JTQLQIEISA-N 427.240 4.023 5 20 IIBD CCOc1cc(C(=O)OCc2coc(-c3ccc(F)c(F)c3)n2)c([N+](=O)[O-])cc1OC 728615694 WONIKFWPTDRTEJ-UHFFFAOYSA-N 434.351 4.292 5 20 IIBD O=C(OCc1c(F)cccc1[N+](=O)[O-])[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 728991465 GUHVSOOGAJMGDN-QGZVFWFLSA-N 441.242 4.389 5 20 IIBD O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1occc1CSc1ccccc1 731508115 CNVCFCVLHAFWPS-LJQANCHMSA-N 438.461 4.442 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 731610331 IDLAQTDYYGYNCO-QGZVFWFLSA-N 432.448 4.228 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1cccc(COC2CCCCC2)c1 731619022 IEHIJVMNNZCTME-UHFFFAOYSA-N 442.468 4.283 5 20 IIBD O=C(O[C@H](c1cncc(F)c1)C1CCCCC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 731776690 JAOFWBNTXVQARE-FQEVSTJZSA-N 425.420 4.188 5 20 IIBD C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1csc2ccccc12 731990239 IMTLUAHJEFXESF-DOMZBBRYSA-N 429.523 4.353 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](OC(=O)[C@H]1C[C@H]2CC[C@H]1O2)c1ccccc1 733839539 YIOYCXVVIYNSAT-OHQAAIJDSA-N 430.844 4.039 5 20 IIBD Cc1c(C(=O)OCc2cc([N+](=O)[O-])ccc2Cl)sc2nc3n(c(=O)c12)CCCCC3 734782528 SEHHTQTVGBSBQI-UHFFFAOYSA-N 447.900 4.411 5 20 IIBD COC(=O)[C@@H](OC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(Cl)c1 735149334 RNPAFGFIULACHJ-KRWDZBQOSA-N 428.224 4.128 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C1(NC(=O)OC(C)(C)C)Cc2ccccc2C1 735992235 YAVMOKXIUMLVNS-UHFFFAOYSA-N 425.485 4.212 5 20 IIBD Cc1ncsc1CCOC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 737322405 HGTLRILAAPTUJL-UHFFFAOYSA-N 427.269 4.252 5 20 IIBD CSc1cccc(NC(=O)[C@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2Br)c1 740422887 OGYPVOPWSIKWRH-JTQLQIEISA-N 439.287 4.263 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 740814123 IUTVUJZASYSZCQ-GOSISDBHSA-N 448.907 4.042 5 20 IIBD COc1ccc(NC(=O)CNc2ccc(Cl)cc2[C@H](O)c2ccccc2)c([N+](=O)[O-])c1 741753722 OMFSBQCTKBTQBR-JOCHJYFZSA-N 441.871 4.389 5 20 IIBD O=C(Nc1ccc(NCc2cc(F)ccc2[N+](=O)[O-])c(C(F)(F)F)c1)[C@@H]1CCCO1 742259177 OOFHSMDWYPQSEV-KRWDZBQOSA-N 427.354 4.482 5 20 IIBD C[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1nc(-c2ccc(Cl)cc2)no1 742940188 FHADMTDTZVXFGH-GFCCVEGCSA-N 425.832 4.130 5 20 IIBD Nn1c(SCc2cc(Cl)ccc2[N+](=O)[O-])nnc1-c1ccc(OC(F)F)cc1 746388970 KNOHXBQBHLTQSM-UHFFFAOYSA-N 427.820 4.114 5 20 IIBD Cc1sc(=O)n(CC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1-c1ccc(F)cc1 746937395 SHOZWRVZZJVFEV-UHFFFAOYSA-N 441.484 4.124 5 20 IIBD C[C@H](OC(=O)c1cc(Cl)cc(Br)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 747134074 VBCGYKFUVVMUNQ-VIFPVBQESA-N 427.638 4.195 5 20 IIBD CC(C)(C)C(=O)c1ccc(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])cc1 749866794 AWJYTHLYHKPMBL-UHFFFAOYSA-N 441.303 4.387 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCC[C@H]1CCCCN1C(=O)c1cccn1C 750645052 KKXZXUCTLLDRHV-DLBZAZTESA-N 445.541 4.042 5 20 IIBD C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)OC1CCCC1)c1ccc([N+](=O)[O-])cc1F 754370261 VAGXUQJQBACRHL-VFNWGFHPSA-N 428.460 4.051 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 754453226 KPWXXIDZUCNMBQ-UHFFFAOYSA-N 444.360 4.261 5 20 IIBD COc1ccc2nc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3Br)sc2c1 754632004 PQMIWBPFUYCVPK-UHFFFAOYSA-N 426.223 4.367 5 20 IIBD Cn1ccnc1[C@@H](CCc1ccccc1)OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 754735910 PZYMTYGISZYYLQ-OAQYLSRUSA-N 431.452 4.045 5 20 IIBD CC[C@H](C)NC(=O)c1cccc(CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c1 755028899 GMTHVHHCHLPIHH-LBPRGKRZSA-N 449.305 4.207 5 20 IIBD COc1ccc(Br)c(CN(C)C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c1 758959215 GLBVCCGARWAYFP-UHFFFAOYSA-N 442.697 4.361 5 20 IIBD CC(=O)[C@@H]1C[C@H](CC(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)C1(C)C 759530226 HYBRVQFBAYRDBH-SBHAEUEKSA-N 444.528 4.164 5 20 IIBD C[C@H](OC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)c1ccc(F)cc1F 759865126 YIPBVNKZIAOQNJ-VIFPVBQESA-N 432.301 4.118 5 20 IIBD Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 760072367 QZBORMHITYXZIY-MRXNPFEDSA-N 435.868 4.295 5 20 IIBD C[C@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 760854016 KETKCINKKOWZEM-LLVKDONJSA-N 439.287 4.485 5 20 IIBD C[C@@H](C(=O)OCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cccc(C(=O)c2ccccc2)c1 761489246 IRSISZBYKJSOSB-QGZVFWFLSA-N 446.459 4.136 5 20 IIBD O=C(COC(=O)c1cc(Cl)cc(Cl)n1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 762938011 AWAXDGQFHKNOKJ-UHFFFAOYSA-N 438.145 4.111 5 20 IIBD CCc1cc(=NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c2cc([N+](=O)[O-])ccc2[nH]1 765099796 PSNLKELYTZNGHZ-UHFFFAOYSA-N 445.229 4.050 5 20 IIBD CC[C@H]1CN(C(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1NC(=O)OC(C)(C)C 765609871 MEBGXFRXSLMTNG-WSTZPKSXSA-N 433.549 4.315 5 20 IIBD COc1cc(COC(=O)c2cc(NC(C)=O)cc(C(F)(F)F)c2)c([N+](=O)[O-])cc1F 766215181 JQIMGILNPRQOTA-UHFFFAOYSA-N 430.310 4.077 5 20 IIBD C[C@H]1CCN(C(=O)COC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c2ccccc2S1 766229955 LYTZLFHUMNFUHB-AWEZNQCLSA-N 437.477 4.217 5 20 IIBD O=C(NCCCOC1CCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])c(Cl)c1 768717226 VPJSEMZMKWUMMW-UHFFFAOYSA-N 431.920 4.049 5 20 IIBD Cc1cccc(-c2cncc(C(=O)N(C)S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2)c1 768764233 BIISCAUMEZACSC-UHFFFAOYSA-N 445.884 4.080 5 20 IIBD C[C@H](OC(=O)c1sc(Br)cc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl 773606081 YVXAVDGCCLTJQO-ZETCQYMHSA-N 433.667 4.256 5 20 IIBD CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 777303972 IVLUUPVFVVUTCE-QFIPXVFZSA-N 425.529 4.106 5 20 IIBD CCCCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)OC)c([N+](=O)[O-])c2)c(C)c1 777612404 JWHXHOAOGCIDCC-UHFFFAOYSA-N 437.474 4.061 5 20 IIBD O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1cc([N+](=O)[O-])c2nsnc2c1 778221631 INFJWABHBKTYNX-UHFFFAOYSA-N 426.483 4.062 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 778741174 JWXFMIVXFMPEJS-LBPRGKRZSA-N 443.441 4.009 5 20 IIBD Cc1sc2nc([C@@H](C)OC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)nc(O)c2c1C 778888815 YYXHQJZRHJMSBE-MRVPVSSYSA-N 439.396 4.441 5 20 IIBD O=C(OCc1nc(-c2ccccc2F)no1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 781158835 PMEKLBQETDYYMR-UHFFFAOYSA-N 441.293 4.082 5 20 IIBD O=C(C[C@H](O)c1ccc(OCc2ccccc2)cc1)OCc1c(F)cccc1[N+](=O)[O-] 781283608 QHEYMMCAJXSUNG-QFIPXVFZSA-N 425.412 4.480 5 20 IIBD C[C@H](OC(=O)c1cccc([N+](=O)[O-])c1Br)C(=O)Nc1ccc(Cl)cc1 781678576 SSNLKTKCCFYTFV-VIFPVBQESA-N 427.638 4.195 5 20 IIBD Cc1cccc(OCc2nnc(S[C@@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)o2)c1 781949172 HSXJCDMKBVGUPB-LBPRGKRZSA-N 432.433 4.124 5 20 IIBD Cc1cc(-c2noc([C@H](C)OC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)n2)ccc1F 785679057 UYEZSZZWARSRSF-ZDUSSCGKSA-N 437.387 4.196 5 20 IIBD CC(C)CC(=O)Nc1ccc(C(=O)COC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 785935826 LMJYHHNPXSJOTC-UHFFFAOYSA-N 432.860 4.201 5 20 IIBD COc1ccc(CN(CC(F)(F)F)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc1 790883447 YDNCGLYZPJTQQV-UHFFFAOYSA-N 427.335 4.025 5 20 IIBD O=[N+]([O-])c1ccc(N2CCCCC2)c(-c2nc(-c3ccc(CN4CCOCC4)cc3)no2)c1 795727294 GXYBKPIEPXNSPN-UHFFFAOYSA-N 449.511 4.134 5 20 IIBD O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1cc2sc(N3CCCC3)nc2s1 796313703 NONWAWSBPXGZIB-UHFFFAOYSA-N 430.467 4.364 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(-c3nc(Br)ccc3F)no2)ccc1N1CCCC1 798188515 QEVJKSMNXQEYKL-UHFFFAOYSA-N 434.225 4.209 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 799234575 FYFORCOBZKPCTP-AWEZNQCLSA-N 436.509 4.151 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 801036512 QMRUPYQHLUAOBF-NRFANRHFSA-N 437.562 4.472 5 20 IIBD C[C@@]1(C2CC2)NC(=O)N(c2ccc(CNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O 804701106 PPNOPOQUHHYZMC-FQEVSTJZSA-N 448.401 4.451 5 20 IIBD CC(C)Oc1ccc([C@@H](CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])N(C)C)cc1 805276419 XSHUOADDAVJFFL-HXUWFJFHSA-N 437.899 4.136 5 20 IIBD Cn1cc(-c2nc([C@@H]3CCCN3C(=O)OC(C)(C)C)no2)c(-c2ccc([N+](=O)[O-])cc2)n1 811830655 YFDMTHAKDRUMNK-INIZCTEOSA-N 440.460 4.117 5 20 IIBD CC(C)(CCc1noc(C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)n1)[N+](=O)[O-] 812814773 PZLCTOUTNYFIFS-GOSISDBHSA-N 442.903 4.425 5 20 IIBD CCN(CC)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 812831999 PFRAIYPEPKBVMC-QGZVFWFLSA-N 438.311 4.111 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@](C(=O)Nc2cccc([N+](=O)[O-])c2Cl)(C(F)(F)F)C1 813246385 ATHOKIPJZFXVLO-INIZCTEOSA-N 437.802 4.376 5 20 IIBD Cc1ccc(-c2nnc([C@H](C)OC(=O)c3cc([N+](=O)[O-])c(N(C)C)cc3F)o2)cc1C 814483950 SPBLGOUMOSJSBE-ZDUSSCGKSA-N 428.420 4.385 5 20 IIBD O=C(Nc1ccc(NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)cc1)C1CC1 821135315 QYWGAAFKTMZRJW-UHFFFAOYSA-N 430.269 4.051 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1)Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1 890372252 CKHGJVNCDXDLFG-UHFFFAOYSA-N 446.371 4.425 5 20 IIBD Cc1ccc(-n2ncc(C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c2C)cc1 900640849 DGYPILXJYZQWRQ-AWEZNQCLSA-N 442.859 4.235 5 20 IIBD COc1cc(-c2nc([C@H]3C=CC=NC3=O)no2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 904755905 SPYMKAIHAWIKBA-CYBMUJFWSA-N 440.799 4.350 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)OCC(=O)N1c2ccccc2Sc2ccccc21 914909590 XGJAICVYCGKXGH-UHFFFAOYSA-N 436.445 4.346 5 20 IIBD COc1ccc(CN(Cc2ccco2)S(=O)(=O)/C=C/c2ccccc2)cc1[N+](=O)[O-] 917394831 QPQOLYHDWNXMKB-ACCUITESSA-N 428.466 4.199 5 20 IIBD Cc1c(COC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cccc1[N+](=O)[O-] 918997367 HSSQVGWVYHYVLU-UHFFFAOYSA-N 435.461 4.085 5 20 IIBD Cc1ccc(S(=O)(=O)N(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ccc(O)cc2)cc1 920152788 QUSPHPMZJIWYEU-UHFFFAOYSA-N 446.868 4.298 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)cc1[N+](=O)[O-] 920286720 XTVBDJNGXGNJFT-NSHDSACASA-N 427.335 4.244 5 20 IIBD O=[N+]([O-])c1ccccc1OCc1nnc(-c2cnn(-c3cccc(Br)c3)c2)o1 1261428707 XUVWYXLMAYLHHU-UHFFFAOYSA-N 442.229 4.172 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccc(-c3nnc(CC4CCCC4)o3)cc2)c1 1261429830 PDMWBQCDBMLHPF-UHFFFAOYSA-N 429.454 4.145 5 20 IIBD Cc1cccc(CN2CCCC[C@@H]2C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 1323241912 YFIOMIPMYAYLHF-XMMPIXPASA-N 437.540 4.328 5 20 IIBD Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CCC2)n1 1785748518 REOFWOLETKMKQE-UHFFFAOYSA-N 448.479 4.272 5 20 IIBD Cc1cccnc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)CCC2)cc1 1786500133 XILUMKFUDFQRJX-UHFFFAOYSA-N 446.463 4.065 5 20 IIBD Cc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3ccccc3o2)cc1[N+](=O)[O-] 1797487981 MGIOCGNCLFTCQB-ACDBMABISA-N 447.491 4.144 5 20 IIBD C[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C2)c1ccccc1 1801747533 IVTAPRCNHSWRHI-IITNATTFSA-N 449.551 4.359 5 20 IIBD CC/C=C(\C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2F)[nH]n1 1823096759 CSYAULOHKUTRNA-CXPVQLEGSA-N 443.479 4.048 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CC=CCC2)CC1 1830280872 UITFWIXLGQELPP-AVRDEDQJSA-N 443.519 4.324 5 20 IIBD C/C=C/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(C)c([N+](=O)[O-])c2)CC1 1830364579 STNCMTNJYWDLGW-XLVXHYTNSA-N 439.556 4.198 5 20 IIBD CC(C)(C)CCCCCC(=O)N1CCCC12CN(C(=O)Cc1cc([N+](=O)[O-])ccc1F)C2 1846085760 OYDWUYORIZAAAJ-UHFFFAOYSA-N 447.551 4.476 5 20 IIBD C[C@H]1CCN(C(=O)COC(=O)CSc2ccc([N+](=O)[O-])cc2)c2ccccc2S1 9352164 SECCEKFWLUGCEX-AWEZNQCLSA-N 432.523 4.148 5 20 IIBD COc1cc(COC(=O)c2ccc(Br)cc2)c([N+](=O)[O-])cc1OC(F)F 12485808 QFSOBVMKPMGWOV-UHFFFAOYSA-N 432.173 4.324 5 20 IIBD CCNc1ccc(C(=O)O[C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)cc1[N+](=O)[O-] 14072751 MUWXCPZJTSDRCP-AWEZNQCLSA-N 446.529 4.394 5 20 IIBD CS(=O)(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)c1 15636137 LNIFNXMGCARUCU-UHFFFAOYSA-N 428.491 4.402 5 20 IIBD O=C(OCc1nc(-c2cccc(Br)c2)no1)c1ccc(Cl)cc1[N+](=O)[O-] 18189079 MHZNHLWRUPOJOO-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1OC 18456690 CXYYKCFAKQINEZ-CYBMUJFWSA-N 430.457 4.094 5 20 IIBD COc1ccc(OC)c(NC(=O)[C@H](C)Sc2nc3cc4ccccc4cc3c(=O)n2C)c1 22253689 ZECKAKZSVDOLBD-AWEZNQCLSA-N 449.532 4.223 5 20 IIBD CCOc1cc(CN(C)c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])ccc1OC(F)F 25567678 KBHXTONSUVVCEE-UHFFFAOYSA-N 437.443 4.370 5 20 IIBD COc1cc(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)ccc1NC(=O)c1cccnc1 31447986 MFKHVGWSJJOYHL-UHFFFAOYSA-N 438.465 4.225 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2scc(C3CC3)c2C(=O)OCC)cc([N+](=O)[O-])c1 60392458 REQWZCHVJNHNNB-UHFFFAOYSA-N 432.454 4.139 5 20 IIBD O=C(NCC(=O)N(Cc1ccccc1)Cc1ccccc1)c1c(Cl)cccc1[N+](=O)[O-] 78871665 AEVBEJDSTVMHNB-UHFFFAOYSA-N 437.883 4.207 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)NCc3nc(-c4ccncc4)no3)cc2[N+](=O)[O-])cc1 97037927 RBSABBXQESFVGA-UHFFFAOYSA-N 447.476 4.429 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCn3c2nc2ccccc23)cc1[N+](=O)[O-])c1ccccn1 195609177 NEJYCAKTZITTEI-OAHLLOKOSA-N 428.452 4.173 5 20 IIBD O=C(Nc1ccc(CNc2cc3ncnc(O)c3cc2[N+](=O)[O-])cc1)c1ccc(F)cc1 301133420 VMIGUSCGDJYTER-UHFFFAOYSA-N 433.399 4.247 5 20 IIBD O=c1c(Cl)c(NCc2sccc2Br)cnn1-c1ccc([N+](=O)[O-])cc1 301149795 COGQYNRWAOKPKC-UHFFFAOYSA-N 441.694 4.230 5 20 IIBD O=C(c1c(F)cc(F)cc1F)C1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 301694654 OZNRUBWSRQQUGC-UHFFFAOYSA-N 444.207 4.269 5 20 IIBD CN(c1nc2cc(Cl)ccc2s1)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 430063031 XGSFCJGTRAWDND-UHFFFAOYSA-N 434.886 4.231 5 20 IIBD CCSc1nccnc1C(=O)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 430684108 MBOMYXBTYMIPKY-UHFFFAOYSA-N 436.453 4.195 5 20 IIBD CCN(CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 430835151 AQJFTMCHWDNTJW-VXKWHMMOSA-N 441.576 4.087 5 20 IIBD COc1cccc(N2CC[C@@H](CNC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)C2)c1 436359235 DOYOARUKHPWGJL-INIZCTEOSA-N 445.494 4.085 5 20 IIBD Cc1cc(C)c(NC(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1Br 437064000 RWWWHNYJHVXDDY-UHFFFAOYSA-N 446.301 4.104 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@@H](OC1CCOCC1)c1ccccc1 437403946 IIBCINWUCZISOD-QVKFZJNVSA-N 429.473 4.050 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 438682911 RQIMZNDIAHDWEI-ZWKOTPCHSA-N 442.537 4.391 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2CCC(OCC3CC3)CC2)c([N+](=O)[O-])c1 439705725 FWWRSSLDMZEFAI-UHFFFAOYSA-N 438.480 4.008 5 20 IIBD COc1ccccc1-c1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 442158018 WLGKEZYHQAXVGM-MRXNPFEDSA-N 433.464 4.395 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)NC1(c2cccc(C(F)(F)F)c2)CCOCC1 444842556 ZLHYRHJSBARMAR-UHFFFAOYSA-N 439.390 4.450 5 20 IIBD Cc1ccccc1NS(=O)(=O)c1ccc(-c2nc(-c3ccc([N+](=O)[O-])s3)no2)cc1 445477264 BQMGHRKOWDOPGM-UHFFFAOYSA-N 442.478 4.483 5 20 IIBD Cc1sc2ncnc(SCCC(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)c2c1C 446884594 PPCZHWZAUDLXKT-UHFFFAOYSA-N 428.539 4.283 5 20 IIBD CCN(Cc1cccc(F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCO1 461056210 LLONLXIHOHXOOU-HXUWFJFHSA-N 425.464 4.198 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCSC[C@@H]1c1ccccc1 462138636 DPCFKASDRUIHIY-OAHLLOKOSA-N 433.338 4.380 5 20 IIBD CCOc1cc(C(=O)NC[C@H]2CCCO[C@H]2c2ccc(C)cc2)c([N+](=O)[O-])cc1OC 464887447 QZFOUZNAYJFEIB-VGSWGCGISA-N 428.485 4.208 5 20 IIBD CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 466438781 PTQHPRJHLAXXLK-QWHCGFSZSA-N 435.933 4.432 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2C(F)(F)F)c([N+](=O)[O-])c1 467429008 NPBRLNQJHPGRFV-UHFFFAOYSA-N 439.209 4.485 5 20 IIBD CSC[C@H](CCO)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 467917963 JFSKBDGNCLBRIW-ZDUSSCGKSA-N 426.947 4.243 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C 468165878 UIEFFIYXAXSACG-MAUKXSAKSA-N 428.537 4.153 5 20 IIBD Cc1nc(-c2ccccc2)oc1C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 468302201 GOTLAFUTQOXWEO-SFHVURJKSA-N 437.452 4.371 5 20 IIBD COc1ccc(C(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)cc1[N+](=O)[O-] 468592073 ZIIDTONHDWUGKP-MRXNPFEDSA-N 434.290 4.083 5 20 IIBD CC(C)CO[C@@H]1CCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 469033365 SNIBIYICNHDDFM-QGZVFWFLSA-N 443.466 4.104 5 20 IIBD COc1ccc(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c(I)c1 471091723 DWRHXWRQFSGOLQ-UHFFFAOYSA-N 426.210 4.077 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(Cc1cccc(C)c1)Cc1ccccn1 471171868 CKFKQRKEPJIXIQ-UHFFFAOYSA-N 434.496 4.338 5 20 IIBD CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1cc(C)ccc1[N+](=O)[O-] 471258141 JTSUKJVFQCEJQY-MRXNPFEDSA-N 425.268 4.114 5 20 IIBD C[C@@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)c1ccc(Cl)c(Cl)c1 471803308 GUKQNXVKPKCKGE-LLVKDONJSA-N 442.324 4.051 5 20 IIBD Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)s2)cc1 472627239 ZWKAOMHZGWOJKN-LBPRGKRZSA-N 442.472 4.290 5 20 IIBD CC(C)c1ccc(C(=O)Nc2cccc(C[S@](=O)C3CCOCC3)c2)cc1[N+](=O)[O-] 473587653 DYQPJSNBLOZDHE-PMERELPUSA-N 430.526 4.398 5 20 IIBD Cc1nc(NC(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)ccc1[N+](=O)[O-] 475302455 YTQBAEGCDVASSJ-UHFFFAOYSA-N 442.541 4.434 5 20 IIBD COC(=O)c1csc(-c2cccc(CNc3ncc([N+](=O)[O-])cc3Br)c2)n1 477806993 SDPAKYUZXHOZJG-UHFFFAOYSA-N 449.286 4.275 5 20 IIBD COc1cc(C(=O)Nc2ccnn2Cc2ccccc2Br)cc([N+](=O)[O-])c1C 477885550 HWSYFZARVPCIQE-UHFFFAOYSA-N 445.273 4.171 5 20 IIBD CCCC(=O)Nc1ccc(Cl)c(NC(=O)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 483725127 JDTSCMOASSJTRE-ZDUSSCGKSA-N 446.891 4.111 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)c1cnnn1-c1c(Cl)cccc1Cl 484100813 POABUYZOPQJYHD-UHFFFAOYSA-N 429.223 4.283 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCc1cccc(NC(=O)C2CCC2)c1 485370791 CUABULSEWDYWOY-UHFFFAOYSA-N 430.892 4.029 5 20 IIBD C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)c1cccc(S(=O)(=O)N(C)C)c1 485392084 FBHYPQXWMUJVJU-CQSZACIVSA-N 444.488 4.219 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCC(c2nncn2C2CC2)CC1 488235404 HPKXVNYIYJFVBY-UHFFFAOYSA-N 446.511 4.153 5 20 IIBD O=C(C1CCC(N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1)N1CCSCC1 491060766 ORVVDIOWHPNTQH-IRSIHTCSSA-N 439.581 4.408 5 20 IIBD CN(Cc1cc(Br)ccc1Cl)c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] 491605291 UKNHIUUKXCZABP-UHFFFAOYSA-N 433.711 4.051 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2c(Cl)cccc2[N+](=O)[O-])cc1 493378671 BOWFEHQLUBEYIU-CQSZACIVSA-N 425.938 4.130 5 20 IIBD Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1NC(=O)c1ccncc1 498187297 GKWZVHURDVPQRV-UHFFFAOYSA-N 427.420 4.351 5 20 IIBD C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 499489715 GEKBLIDJOZGIAJ-LLVKDONJSA-N 441.431 4.024 5 20 IIBD CN(C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1cc(Cl)cc(Cl)c1 499533749 LPAILPQYQXVWNA-CYBMUJFWSA-N 428.297 4.231 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(CN3CCC[C@@H](C)C3)cc2)cc1OC 500794628 KIYBKFKULIWQJB-MRXNPFEDSA-N 427.501 4.486 5 20 IIBD C[C@@]1(O)CCCN(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)C1 501067496 LXDGWIDNZRPHNB-HXUWFJFHSA-N 437.855 4.236 5 20 IIBD CCOc1ccc([C@@H](NC(=O)Cn2cc([N+](=O)[O-])nc2C)c2cccc(Cl)c2)cc1 502353150 JTXOCSFNIOFDJK-OAQYLSRUSA-N 428.876 4.058 5 20 IIBD CCc1cccc2c1OCC[C@@H]2NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 507001483 JDUALARJPJXHMI-NRFANRHFSA-N 434.496 4.272 5 20 IIBD Cc1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c(OC[C@@H]2CCCO2)c1 508012178 IGELIJYEZPRRKI-IBGZPJMESA-N 439.512 4.316 5 20 IIBD COc1ccc(C(=O)COc2c([N+](=O)[O-])cnc3ccc(Br)cc23)cc1OC 508167782 XVOONLPHHANUCR-UHFFFAOYSA-N 447.241 4.184 5 20 IIBD O=C(NCc1ccccc1-n1ccnc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 509094485 LQDLEWYRXHLTEH-UHFFFAOYSA-N 427.464 4.323 5 20 IIBD Cc1c(Br)cc(C(=O)N[C@@H](C)c2nc(Cc3ccccc3)no2)cc1[N+](=O)[O-] 510456184 IOHODDJGTUFPHM-LBPRGKRZSA-N 445.273 4.131 5 20 IIBD COc1cc(F)c([C@@H](C)NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC 510725343 IGDRLUZYBDBTKX-LLVKDONJSA-N 431.445 4.366 5 20 IIBD CCOc1cc(NC(=O)c2ccc(OC)c(-c3ccnn3C)c2)c([N+](=O)[O-])cc1OCC 512930285 QWASZBYTYVRLSH-UHFFFAOYSA-N 440.456 4.054 5 20 IIBD O=C(Nc1cc(Br)cnc1OCC(F)(F)F)c1csc([N+](=O)[O-])c1 513409350 URSFJILKUONPNC-UHFFFAOYSA-N 426.170 4.007 5 20 IIBD C[C@@H](N[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1)c1cccc([N+](=O)[O-])c1 515717383 GORNZRACHBESHU-WAIKUNEKSA-N 433.464 4.032 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN(CCCO)Cc2ccccn2)cc1 516997031 ALOFLUQYTJRPRR-UHFFFAOYSA-N 443.507 4.227 5 20 IIBD COc1ccc(-c2nc(Cc3noc(Cn4ccc5cc([N+](=O)[O-])ccc54)n3)co2)cc1 520278259 OJBRWMWLUTXWAN-UHFFFAOYSA-N 431.408 4.235 5 20 IIBD CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 522543226 MUWNUHCKTCLVPP-INIZCTEOSA-N 445.932 4.279 5 20 IIBD CC(C)n1ccc(CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(F)c(F)c2)n1 522632372 XAIZDPKPHGIMRJ-UHFFFAOYSA-N 436.440 4.046 5 20 IIBD O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCO[C@H](c2cccc(Br)c2)C1 522936912 KZIBKVFHELXAMV-INIZCTEOSA-N 425.666 4.224 5 20 IIBD C[C@H](NC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 523746058 RZVUFSKTLABYMY-CYFNAFFESA-N 449.429 4.401 5 20 IIBD CN(C(=O)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)[C@H](c1ccccc1)c1ccc(F)cc1 524401961 LXNKSHUOFVZMNC-HSZRJFAPSA-N 445.454 4.240 5 20 IIBD Cc1c(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2F)nnn1-c1cccc([N+](=O)[O-])c1 524846000 XBTQOBBOPQBGGY-QFIPXVFZSA-N 445.454 4.337 5 20 IIBD CCc1ccc(Cl)c(CC)c1NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 524926540 OFWAPDHNAPONEA-UHFFFAOYSA-N 444.919 4.363 5 20 IIBD CN(C(=O)CSc1n[nH]c(-c2cc(Cl)cc(Cl)c2)n1)c1ccc([N+](=O)[O-])cc1 525630289 HQYKLXZHPVSPOU-UHFFFAOYSA-N 438.296 4.442 5 20 IIBD Cc1cccc(C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c1Br 535232930 HJNBMKYSZWIAQN-MRXNPFEDSA-N 449.301 4.479 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1cc(-c2nnc3n2CCCCC3)ccc1F 536278609 YCRLYTXGFRMUQU-UHFFFAOYSA-N 438.463 4.083 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN3CCCc4c(F)cc(Br)cc43)o2)cc1 537530243 XXQIKHGFWGBLQR-UHFFFAOYSA-N 433.237 4.499 5 20 IIBD COc1cc(C(=O)N2CCCc3c(Br)ccc(C)c32)cc([N+](=O)[O-])c1OC 538558352 ZUWVIPGLAFZFNY-UHFFFAOYSA-N 435.274 4.276 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 539141054 FRMJTQKGVGJMEJ-DJJJIMSYSA-N 448.317 4.201 5 20 IIBD O=C(N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 539442437 XRCBUIYLAWCMGH-WBVHZDCISA-N 446.328 4.074 5 20 IIBD Cc1ccoc1C(=O)NCCCNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 541629479 GCLCIPLYJYEGKM-UHFFFAOYSA-N 445.541 4.328 5 20 IIBD O=C(NC1CCN(C(=O)C2CC2)CC1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 542569739 RSWUTANPSLVPGT-UHFFFAOYSA-N 431.558 4.008 5 20 IIBD CC(C)n1c([C@@H]2CCCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)nc2ccccc21 544071141 OOBNGKVEKFIUBP-RTBURBONSA-N 438.528 4.145 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N(Cc1ccc(-n2cncn2)cc1)C1CC1 549191439 RKFUODKFYJXYRZ-UHFFFAOYSA-N 435.487 4.067 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2cccc(NC(=O)c3ccccc3)c2)c1 549554127 HSONMEHHVPZHEW-UHFFFAOYSA-N 433.464 4.241 5 20 IIBD Cc1ccc(NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1OCC(F)F 551470174 JUFXGRLFXHCCJO-UHFFFAOYSA-N 435.427 4.422 5 20 IIBD CSC[C@H]1CCCN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C1 554279277 IAZXKRCPCZXBFW-NSHDSACASA-N 429.329 4.303 5 20 IIBD O=[N+]([O-])c1cc2c(NCc3cn(-c4ccccc4)nc3-c3ccncc3)ncnc2s1 557533787 JDEDNGKUFVNOBT-UHFFFAOYSA-N 429.465 4.459 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[C@H](Sc2cccc(Cl)c2)C1 558118045 WNLFFIVIDUCCRF-IBGZPJMESA-N 428.901 4.441 5 20 IIBD CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 560805699 MGZVDNYYGZCDJU-PQNGQFLHSA-N 437.540 4.279 5 20 IIBD NS(=O)(=O)c1cc(N[C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1 561359186 VTMHEUYVFAECHY-SJORKVTESA-N 429.420 4.009 5 20 IIBD CCC[C@]1(CO)CCN(c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])C1 564061878 GSJBZTFMNBPKPX-QFIPXVFZSA-N 447.557 4.001 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O 568979955 ULLQNDUYIPECJG-UHFFFAOYSA-N 443.862 4.352 5 20 IIBD COc1cc(CNCC(C)(C)c2ncccc2C)c([N+](=O)[O-])cc1OCC(F)(F)F 569056026 ZLZJPWPPBVJLSB-UHFFFAOYSA-N 427.423 4.315 5 20 IIBD Cc1ccc(C(=O)N(CCc2ccc(Cl)cc2)C[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] 570736932 VYLPGKQUWOZGIQ-QGZVFWFLSA-N 430.810 4.165 5 20 IIBD CCCOc1cc(NC(=O)c2cc3ccccc3c(=O)n2C)c([N+](=O)[O-])cc1OCCC 588832546 MQGZPXBCTHPBAL-UHFFFAOYSA-N 439.468 4.277 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)N[C@H](c2c(Cl)cccc2Cl)C2CC2)cc1[N+](=O)[O-] 589540638 VPMYYYGSTNCTBL-KRWDZBQOSA-N 443.308 4.186 5 20 IIBD C[C@@H](NC(C)(C)CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 591052858 MXQQJJVKFTYMRO-LJQANCHMSA-N 427.548 4.400 5 20 IIBD COc1cc2nc(C)sc2cc1NC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] 608849612 IJSMQANBPSOLTB-UHFFFAOYSA-N 439.396 4.384 5 20 IIBD O=C(NCCOC[C@@H]1CCOC1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 609463601 NSFFYPJCOOHWMX-CQSZACIVSA-N 436.917 4.182 5 20 IIBD COc1cc(C(=O)Nc2c(N3CCCC3)cccc2N2CCCC2)c([N+](=O)[O-])cc1OC 609503526 CAJAUWDNGRLAID-UHFFFAOYSA-N 440.500 4.065 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](c3ccccc3Cl)OC[C@@H]2C)cc1OC 609508187 CARNVWLNJIDQMJ-RBZFPXEDSA-N 434.876 4.258 5 20 IIBD COc1cc(CCNC(=O)[C@@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC 609514235 MJKQSVNLVGNKKH-HZPDHXFCSA-N 438.402 4.093 5 20 IIBD Cc1ccc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1NC(=O)C(C)(C)C 609555931 YAKNDJNPDGPBRW-UHFFFAOYSA-N 439.516 4.242 5 20 IIBD COc1cc(C(=O)Nc2ccc(SC)cn2)c([N+](=O)[O-])cc1OCc1cscn1 609703428 VPQSXOHVXXVOGE-UHFFFAOYSA-N 432.483 4.008 5 20 IIBD COc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1OCc1ccncc1 609784254 YLVNGQPZEUFBJY-UHFFFAOYSA-N 427.844 4.412 5 20 IIBD CCCOc1c(Cl)cc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1OCC 609837899 HPZHHTLPBOBNNF-HNNXBMFYSA-N 448.907 4.157 5 20 IIBD Cc1ccccc1-n1nc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)c2c1CCC2 610210307 IMKCGBUDTGBWLZ-HSZRJFAPSA-N 434.521 4.465 5 20 IIBD CC[C@H](C)n1ncc(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c1C1CC1 611193005 GOZVPWKXJMPIRN-JTQLQIEISA-N 443.323 4.203 5 20 IIBD O=[N+]([O-])c1cccc2ncnc(NC3CCN(Cc4coc(-c5ccccc5)n4)CC3)c12 612444110 VMAWFAIWYVWZPQ-UHFFFAOYSA-N 430.468 4.270 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc([C@@H]4CCCS4)no3)cc2)cc1[N+](=O)[O-] 612949144 LTZAIZIHLTZSMF-KRWDZBQOSA-N 446.510 4.322 5 20 IIBD Cc1c(CC(=O)Nc2nc(-c3ccc4c(c3)CN(C)C(=O)N4)cs2)cccc1[N+](=O)[O-] 619464522 YFMQKLVUTSRXFU-UHFFFAOYSA-N 437.481 4.185 5 20 IIBD CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 619849394 XMYYBSJPSDZHFT-UHFFFAOYSA-N 449.511 4.314 5 20 IIBD COc1cc([C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])ccc1OC(C)C 725822423 ZJDFLRZATLUPDQ-GFCCVEGCSA-N 428.894 4.084 5 20 IIBD COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 726526818 SIZDUTMHIRVVSB-AWEZNQCLSA-N 437.427 4.486 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)[C@H](C)Oc2ccccc2C(F)(F)F)cccc1[N+](=O)[O-] 727203320 BKPNZXARXHOWIE-OLZOCXBDSA-N 440.374 4.260 5 20 IIBD C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 727435055 MVJIMCAHGCJUFO-VOJFVSQTSA-N 442.274 4.441 5 20 IIBD COc1ccc(CC(=O)Nc2ccccc2CN(C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 727675306 MDOSMKZSAFLSQB-UHFFFAOYSA-N 429.473 4.152 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c(Br)c1 728867584 OAVRGWOOYIWXSW-HKBVPSITSA-N 433.258 4.249 5 20 IIBD COc1ccc([N+](=O)[O-])cc1OC(=O)c1cnn(-c2cccc(Br)c2)c1C 729945414 HRPGDFYITCVECG-UHFFFAOYSA-N 432.230 4.079 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1 730690903 ZZZYLEFDPYVCHR-IBGZPJMESA-N 433.823 4.256 5 20 IIBD CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C(=O)Cc1ccccc1[N+](=O)[O-] 731023102 OMQOAICKVVZQKH-UHFFFAOYSA-N 425.485 4.141 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1nc(-c2ccccc2Cl)cs1 732093916 DDYFZQMESFIEGT-UHFFFAOYSA-N 447.856 4.210 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)c1 732987609 IMFLSZILXVZYFD-MRXNPFEDSA-N 447.257 4.161 5 20 IIBD Cc1c(C(=O)OCc2coc(-c3ccc(Cl)cc3)n2)nnn1-c1cccc([N+](=O)[O-])c1 733513747 OGQYZSOTDMLBNP-UHFFFAOYSA-N 439.815 4.149 5 20 IIBD O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1ccc(Oc2ccccc2)nc1 733687253 BCDYUVMVJRNTQE-UHFFFAOYSA-N 434.452 4.251 5 20 IIBD O=C(O[C@H](Cc1ccc(Cl)cc1)C(F)(F)F)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 733948051 NXOIXLJBHFEEHE-MRXNPFEDSA-N 440.765 4.159 5 20 IIBD CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)OCc1cc([N+](=O)[O-])ccc1Cl 734974917 FOOYSOGFWCCLTP-SFHVURJKSA-N 436.917 4.152 5 20 IIBD O=C(COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)N[C@H](c1ccccc1)c1cccs1 736865065 CAIZYQRXIYKNDK-LJQANCHMSA-N 430.869 4.372 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(Cl)c1 740819204 LNSRTFNTTURYEU-SFHVURJKSA-N 449.891 4.139 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3ccccc3-n3cccn3)CC2)ccc1[N+](=O)[O-] 744204908 SZMQPLJGQAKXGG-UHFFFAOYSA-N 436.468 4.005 5 20 IIBD C[C@@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(Cc2cc(Cl)ccc2[N+](=O)[O-])C1=O 746049059 ROTAPXGEQSADHO-KRWDZBQOSA-N 427.766 4.234 5 20 IIBD CCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 746182277 SDKPZUGMYJSNAM-UHFFFAOYSA-N 433.711 4.222 5 20 IIBD CC(C)(CO)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccccc1 747551369 IQXOWEWWIHNDJK-NRFANRHFSA-N 425.529 4.117 5 20 IIBD C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 750835480 VNWIEMMUIMKXIS-MRXNPFEDSA-N 446.548 4.033 5 20 IIBD O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 751662552 WWTFYKBZMVWDDT-HXUWFJFHSA-N 449.385 4.234 5 20 IIBD C[C@@H](C[C@H](O)c1cccs1)NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 752281538 OKQBJFQOLBFVPS-NHYWBVRUSA-N 431.436 4.106 5 20 IIBD Cn1ccnc1[C@H](NC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 753588008 YCGDDSHYTMOHOE-XXBNENTESA-N 443.548 4.045 5 20 IIBD CC(C)[C@@H](CCN(C)C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)NC(=O)OC(C)(C)C 754418535 ZZPBDYKIFVADTR-RDTXWAMCSA-N 425.501 4.235 5 20 IIBD C[C@H](OC(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 757857651 PPOFGZKSDXOADL-INIZCTEOSA-N 447.447 4.055 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCNC(=S)Nc2ccccc2-c2ccccc2)cc1 757938757 XZMVYOKAOJTPIH-UHFFFAOYSA-N 441.534 4.022 5 20 IIBD O=C(CCn1cc([N+](=O)[O-])cn1)O[C@@H](c1cccc(F)c1)c1cccc(Br)c1 758073580 AICPYIDFECOLOJ-LJQANCHMSA-N 448.248 4.416 5 20 IIBD Cc1nc(C(=O)O[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)nn1-c1ccccc1C(C)C 759935540 SAYSTFQFGNLYTF-RTBURBONSA-N 438.488 4.145 5 20 IIBD Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760470281 JKGIHBIFXZSNFO-UHFFFAOYSA-N 449.467 4.133 5 20 IIBD O=[N+]([O-])c1ccc(CCc2nc(-c3cc(F)ccc3C(F)(F)F)no2)c([N+](=O)[O-])c1 761634555 ZOXAZWIYIVALMF-UHFFFAOYSA-N 426.282 4.496 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)Oc1ccc2ccc(C(F)(F)F)nc2c1 766784742 WPHJYOZFJMUNPW-UHFFFAOYSA-N 426.372 4.113 5 20 IIBD COc1cc(C(=O)Nc2cnc(Cl)cc2C)c([N+](=O)[O-])cc1OCc1cscn1 766808520 DOMYMUZWGOZSSU-UHFFFAOYSA-N 434.861 4.248 5 20 IIBD CCOC(=O)N[C@@H]1CCCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 767880279 GUNAAHFUOHLDRQ-MRXNPFEDSA-N 429.498 4.097 5 20 IIBD O=[N+]([O-])c1cc(CSc2nnc(N3CCOCC3)n2Cc2ccccc2)ccc1Cl 768285455 IRBJXOLAMWILJH-UHFFFAOYSA-N 445.932 4.017 5 20 IIBD Cc1ccc(Cc2nc(C(=O)OCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cs2)cc1 768656987 MMPPJJPZHIULSF-UHFFFAOYSA-N 436.449 4.358 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)NNc2c(Cl)cc(Br)cc2Cl)cs1 768886386 COFGQQSOFOMOTK-UHFFFAOYSA-N 447.119 4.031 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)C(C)(C)c2cccnc2)c2ccccc2)c([N+](=O)[O-])c1 769079624 ATZUDMSBMLGGLB-NRFANRHFSA-N 433.464 4.499 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1c1noc(-c2ccc(Br)cc2[N+](=O)[O-])n1 769891756 UJNNBQZPELOAFP-GFCCVEGCSA-N 439.266 4.479 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NS(=O)(=O)Cc1ccccc1Cl 775256158 VIPSWCLCNDOTJF-UHFFFAOYSA-N 428.919 4.009 5 20 IIBD CC[C@@H]1Oc2cc([C@@H](C)N[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)ccc2NC1=O 775464635 UCOGAZIYKPMXNV-SOZUMNATSA-N 446.891 4.036 5 20 IIBD O=C(COC(=O)c1coc(-c2ccccc2Cl)n1)Nc1ccc(Cl)c([N+](=O)[O-])c1 776443307 GJXJFVDISLNIFB-UHFFFAOYSA-N 436.207 4.352 5 20 IIBD O=[N+]([O-])c1ccc(NNC(=S)NC23CC4CC(CC(C4)C2)C3)c(Br)c1 777473217 DZUXSFJAPDVOFD-UHFFFAOYSA-N 425.352 4.117 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc(OC2CCOCC2)nc1 780455717 NHGQCYBBMXNPCM-UHFFFAOYSA-N 432.498 4.407 5 20 IIBD C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] 780884437 KRXMIDRWCCDBDP-BZNIZROVSA-N 431.297 4.052 5 20 IIBD CC(C)(C)OC(=O)Nc1cnc(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)cn1 783469128 IOXMZFYQQDYKQC-UHFFFAOYSA-N 427.461 4.321 5 20 IIBD COc1ccccc1NC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc([N+](=O)[O-])cc1Cl 783933473 NGHWWNPXKOERTE-SFHVURJKSA-N 446.916 4.031 5 20 IIBD CCN(Cc1ccccc1)C(=O)[C@@H](C)OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 784837054 GSIUPJYYDPGVIR-QGZVFWFLSA-N 428.488 4.275 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCCN(C)CC2)cc1 785879937 AUBVINALGKEDMP-UHFFFAOYSA-N 447.333 4.060 5 20 IIBD O=C(Cc1coc(-c2cccs2)n1)O[C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 787026936 QNUDYOPYGQNQLV-HNNXBMFYSA-N 431.445 4.205 5 20 IIBD C[C@H](OC(=O)c1ccnc(Oc2ccc(F)cc2F)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 789055726 XEEFYKJNNFUTEZ-LBPRGKRZSA-N 443.362 4.244 5 20 IIBD CC(C)([C@@H](OC(=O)[C@H]1CCC(=O)c2cccn21)c1ccc(Br)cc1)[N+](=O)[O-] 789471381 HXEZOGGYUDHKLM-WBVHZDCISA-N 435.274 4.108 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCc2ncc(-c3cccs3)[nH]2)CC1 789923473 JYHWMYGMKAEFBX-UHFFFAOYSA-N 425.514 4.213 5 20 IIBD C[C@@H](NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)c1c(F)cccc1F 790671284 GQAUELLJPPLVNQ-SNVBAGLBSA-N 440.244 4.464 5 20 IIBD CN(C)Cc1ccc(-c2noc(CN(C)c3cc(Br)ccc3[N+](=O)[O-])n2)cc1 794666909 DTRYRRPYRKRQMH-UHFFFAOYSA-N 446.305 4.105 5 20 IIBD COc1ccc([C@@H]2C[C@H]2Nc2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])cc1 795257439 FDOJWBOLJVBBSA-NWDGAFQWSA-N 438.234 4.251 5 20 IIBD COc1ccc2nc(Cl)ccc2c1S(=O)(=O)Oc1cc(F)c([N+](=O)[O-])cc1Cl 796207515 GURXMGHMJOBAQS-UHFFFAOYSA-N 447.227 4.365 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 801089649 OUEGJXZFQOMKPF-UHFFFAOYSA-N 443.403 4.315 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 801973580 PNBZOBFAGVDHIT-WBVHZDCISA-N 444.536 4.003 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 807692315 FPXYCIOICYBZBG-NRFANRHFSA-N 444.329 4.096 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ncc(-c3ccc(Br)cc3)s2)cs1 808575421 MDTQXGGTJJTBBX-UHFFFAOYSA-N 446.329 4.343 5 20 IIBD CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1c1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 809434422 YQHNDNOCKUAFCU-QGZVFWFLSA-N 427.461 4.368 5 20 IIBD CC[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC[C@H]1NC(=O)OC(C)(C)C 809916390 IQNKSXRZBUENLR-CHWSQXEVSA-N 426.901 4.405 5 20 IIBD COC(=O)c1csc(-c2cccc(CNC(=O)Nc3cccc([N+](=O)[O-])c3Cl)c2)n1 809919107 UHPODVQPEWUCGL-UHFFFAOYSA-N 446.872 4.480 5 20 IIBD Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811086892 AQABVLSRHIABAJ-UHFFFAOYSA-N 437.283 4.394 5 20 IIBD CCOc1ccc(NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1S(=O)(=O)N(C)C 811505139 GBINAAWBKDFRBC-UHFFFAOYSA-N 448.328 4.163 5 20 IIBD O=C1CCCN1c1ccc(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 814769607 DLEQDLJALWHIJO-UHFFFAOYSA-N 429.281 4.002 5 20 IIBD C[C@@H](c1ccc(F)cc1)N1CC[C@@H](OC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1=O 815511301 DFGXWYAUGIOCJC-APPDUMDISA-N 440.349 4.272 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C(=O)N[C@@H](C)c1ccc(F)cc1 815512516 YPHQMWWCJSOJDT-QWRGUYRKSA-N 428.338 4.175 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)c1 817649832 DVIHOVOEZYGUHW-ROUUACIJSA-N 431.533 4.403 5 20 IIBD Cc1c(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 817815855 SABDZLUIKKSIAZ-UHFFFAOYSA-N 446.217 4.012 5 20 IIBD CCN(CC)C(=O)COc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1Cl 914734492 FRVJABICWTXZAJ-KPKJPENVSA-N 431.876 4.147 5 20 IIBD CCOc1cc(CN(C)C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)ccc1OC(F)F 914737647 VZMDAIJMRPMGNI-UHFFFAOYSA-N 439.371 4.084 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)CCOc1ccccc1F)c1cccc([N+](=O)[O-])c1 918638616 UFMQMRBYUBHFTA-SFHVURJKSA-N 444.459 4.131 5 20 IIBD C[C@H](OC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1nnnn1-c1ccccc1 918967658 STGLUDMVTDFOCV-INIZCTEOSA-N 444.451 4.101 5 20 IIBD Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)OCc2cc(F)ccc2[N+](=O)[O-])cc1 919001371 OJBMXQFRGWSMDU-UHFFFAOYSA-N 433.395 4.098 5 20 IIBD COc1cc(/C=C(\C(=O)OCCOc2ccccc2[N+](=O)[O-])c2ccccc2)ccc1O 919168723 JQYDDSFTFBIVBW-CYVLTUHYSA-N 435.432 4.472 5 20 IIBD COCCOc1ccc(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1F 920060673 MVPQZSDVTQCNGL-LLVKDONJSA-N 445.369 4.217 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCc3cccc([N+](=O)[O-])c3)cc2[N+](=O)[O-])n1 921287873 GSKCUQKPUIWHLA-UHFFFAOYSA-N 430.467 4.349 5 20 IIBD C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 1261222144 XDZLGULJJFEKIA-XBBGAKFBSA-N 436.556 4.487 5 20 IIBD Cn1cnnc1Sc1ccc(-c2nnc(C34CC5CC(CC(C5)C3)C4)o2)cc1[N+](=O)[O-] 1322271989 SEZHYCDYCJRGLL-UHFFFAOYSA-N 438.513 4.392 5 20 IIBD C[C@@H](Nc1ccccc1)C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1 1785750299 CBDZYTLMNXQBJU-MRXNPFEDSA-N 448.479 4.436 5 20 IIBD CC(C)c1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])[nH]4)CCC3)cc2)no1 1787545853 HGNVQMBFYXVDLP-UHFFFAOYSA-N 437.456 4.096 5 20 IIBD Cc1cnoc1C(=O)NC1(c2ccc(NC(=O)c3cccc(F)c3[N+](=O)[O-])cc2)CCC1 1790701026 JNDJYYBEFFIORA-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H]1c1ccccc1 1804345139 WSJFAQNSVWYNAW-XSENDYMTSA-N 445.519 4.050 5 20 IIBD C[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)CC1 1832367856 RTKOPXZNZSTHEM-WDSOQIARSA-N 431.533 4.247 5 20 IIBD CC(C)N(C(=O)COC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 9333086 XMVZPRYPVQMKLZ-UHFFFAOYSA-N 439.390 4.010 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)CCc1nc2ccccc2s1)c1ccccc1[N+](=O)[O-] 12860968 WUMYSXLQIIXXDH-QGZVFWFLSA-N 441.509 4.336 5 20 IIBD O=C(c1cc2c(s1)CCC2)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 20934901 JWXNHERJXDETPV-UHFFFAOYSA-N 425.432 4.126 5 20 IIBD Cc1ccc(C(=O)O[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)cn1 23518945 DASQPSDQGRZUAT-IBGZPJMESA-N 425.828 4.488 5 20 IIBD C[C@@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)Nc1cccc(Cl)c1 24761784 PEYZKDHRHQHYIM-CQSZACIVSA-N 431.876 4.035 5 20 IIBD CC(C)n1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nc2cc(Cl)ccc2c1=O 25115858 VIWNDBVTBGZGNV-UHFFFAOYSA-N 432.889 4.270 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H]3CCC[C@H](C)C3)cc2)cc1[N+](=O)[O-] 33182339 NCTCXIGNYRDKQB-KSSFIOAISA-N 431.514 4.013 5 20 IIBD Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2ccccc2)cc1 35127363 KKQDMKRCBLUBPB-UHFFFAOYSA-N 448.464 4.314 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 59769463 SYWCXRLMJXMIRB-INIZCTEOSA-N 439.493 4.195 5 20 IIBD COC(=O)Cc1sc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])nc1-c1ccccc1 65430433 YMMLOJILBDBBNR-UHFFFAOYSA-N 431.857 4.340 5 20 IIBD CCCCCCNC(=O)[C@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 72051548 IBAHXTGABGSYFC-FQEVSTJZSA-N 447.579 4.090 5 20 IIBD CC[C@@H](c1ccccc1)c1nnc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)s1 78609773 LPVVYXJGFNWXFB-INIZCTEOSA-N 434.481 4.426 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCc3cn4c(C)cccc4n3)cc2[N+](=O)[O-])n1 78772407 VLWIIRRCNIFJSB-UHFFFAOYSA-N 439.522 4.397 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cc2)C[C@H](C)O1 109556199 IPHXVQSULATPFL-OALUTQOASA-N 441.531 4.407 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)NCc1ccccc1-c1ccc(Cn2cccn2)cc1 110614792 HCUOHCNDOXQHPM-UHFFFAOYSA-N 442.475 4.202 5 20 IIBD O=C(c1cc2ccccc2c2cccnc12)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 117078130 AOIYBPJZDDJEJZ-UHFFFAOYSA-N 439.515 4.117 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c1[N+](=O)[O-] 301754887 CTQMFXOGBBSRPW-JTQLQIEISA-N 446.407 4.163 5 20 IIBD O=[N+]([O-])c1cncc(Br)c1N[C@H]1CCCc2c1cnn2Cc1ccccc1 301858603 CVCOMWGOZFXQRN-INIZCTEOSA-N 428.290 4.487 5 20 IIBD Cc1cc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 302187293 PYENLRITLBKJIC-INIZCTEOSA-N 432.406 4.417 5 20 IIBD O=C(Nc1ccc(Nc2ccccc2)nc1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303455687 GCAPDAOTCMEIFW-MRXNPFEDSA-N 437.481 4.038 5 20 IIBD O=C(NCC(c1ccccc1)c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303537454 TUIJDGHJWFQJJE-FQEVSTJZSA-N 449.532 4.209 5 20 IIBD O=C(Nc1cc(I)ccc1Br)c1cccc([N+](=O)[O-])c1 312673006 YBELXFYMMVUKOE-UHFFFAOYSA-N 447.026 4.214 5 20 IIBD COc1cc(CNc2ccc3c(c2)cc(C)c(=O)n3C)c([N+](=O)[O-])cc1OCC(F)F 427824889 XCLMVDYAIBYCNQ-UHFFFAOYSA-N 433.411 4.020 5 20 IIBD CN(Cc1cc(Br)ccc1F)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 428048842 OOJVZNPQNNPASR-UHFFFAOYSA-N 448.248 4.082 5 20 IIBD Cc1cnccc1CNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 428732716 NNZCDQYAEXTGSR-UHFFFAOYSA-N 427.464 4.010 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCCc1nnc(SC)n1C1CCCC1 429211497 LOHDGEINOTWCOY-UHFFFAOYSA-N 433.534 4.163 5 20 IIBD Cc1cc(OCC(=O)Nc2cc(I)ccc2Cl)ccc1[N+](=O)[O-] 430781832 FVEBZDZPBJJZLM-UHFFFAOYSA-N 446.628 4.179 5 20 IIBD C[C@@H](CN(C)C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C(=O)O 431660570 XHBIHDPNERXHBT-LUYJPIOASA-N 439.493 4.314 5 20 IIBD CC(C)Sc1ccc([C@H](C)NC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)cc1 435863440 AHDSPKWOMIAGSV-AWEZNQCLSA-N 441.509 4.240 5 20 IIBD CC(C)N(C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 435906540 GUYHWNFXSYUDLL-UHFFFAOYSA-N 449.385 4.322 5 20 IIBD O=C(NCc1nc(-c2ccncc2)cs1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436334809 AVUJRWVBGZUZMK-UHFFFAOYSA-N 448.454 4.408 5 20 IIBD CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc([N+](=O)[O-])ccc1O 436670129 DBICQJHMNYGVSS-UHFFFAOYSA-N 426.256 4.098 5 20 IIBD COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1O)CCO2 436976138 AQVGLRQUHCTTBT-NRFANRHFSA-N 434.448 4.475 5 20 IIBD Cc1ccc(C)c(-n2ncc(NC(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)c2C)c1 437775791 PMLVGIKCKZLOFH-UHFFFAOYSA-N 434.500 4.060 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)NC(C)(C)COc2ccc(C(F)(F)F)cn2)c1 437919891 WZNPWIZJKVRJKR-UHFFFAOYSA-N 429.420 4.318 5 20 IIBD C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 443586281 USKQRZPSPRWLDD-HNNXBMFYSA-N 440.887 4.422 5 20 IIBD O=C(NCc1nnc(-c2ccccc2)s1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444221436 DXFCHCMWKJKYSL-UHFFFAOYSA-N 448.454 4.408 5 20 IIBD COCCCOc1cc(C)ccc1CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 445947723 BDRZWRKRQVHYHS-UHFFFAOYSA-N 444.531 4.195 5 20 IIBD Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1 446031176 JNWSVCWMMLFYFQ-UWJYYQICSA-N 447.329 4.492 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 446485146 NOWKNBQXWXXEHS-HNNXBMFYSA-N 429.452 4.108 5 20 IIBD Cc1ccc([C@H]2CSCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 447018062 RPTUYPFXGJBNSR-MRXNPFEDSA-N 446.472 4.401 5 20 IIBD CCN(C(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])ccc1Cl)C(C)C 447261257 UYYNNGYXLLWXRR-UHFFFAOYSA-N 439.921 4.228 5 20 IIBD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)n1 447528261 ILNPYGXGRUPKIN-GUDVDZBRSA-N 437.466 4.158 5 20 IIBD CN(C)[C@@H]1CCOc2c(NC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)cccc21 447719981 AIWCNKUFHKVBML-HXUWFJFHSA-N 431.467 4.458 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 460232006 LMASKMHNYZKROR-RUZDIDTESA-N 446.555 4.366 5 20 IIBD Cc1cnc([C@H](NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)C2CC2)s1 460327700 OFXPHIGUNUREPT-GOSISDBHSA-N 425.514 4.102 5 20 IIBD CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H](C)c1cccc(O)c1 460690044 GMQYISBIXZKFIL-INIZCTEOSA-N 425.489 4.183 5 20 IIBD COc1ccc(CSCC(=O)NCc2cc(C)ccc2OC(F)F)cc1[N+](=O)[O-] 465017545 UIHSSDPDAAHVOC-UHFFFAOYSA-N 426.441 4.063 5 20 IIBD CCOc1ccc([C@H](C)NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1OC 465655715 KMQNKDBYCHLVLT-INIZCTEOSA-N 443.500 4.316 5 20 IIBD O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 466238848 BCVJBSUZPMCAPM-QVKFZJNVSA-N 448.928 4.467 5 20 IIBD Cc1nc2n(n1)C[C@H](NC(=O)c1cccc(Sc3ccc(Cl)cc3)c1[N+](=O)[O-])CC2 466769927 SYOJQKHDXZGCSP-CQSZACIVSA-N 443.916 4.044 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1)c1cccc([N+](=O)[O-])c1 466950468 IIRWSRIBJRSQPN-HNNXBMFYSA-N 444.447 4.143 5 20 IIBD Cc1cc(Sc2ccccc2)ccc1NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] 467976744 GHANTYHMNIOPEC-UHFFFAOYSA-N 435.505 4.352 5 20 IIBD CN(C)[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1cccc(C(F)(F)F)c1 469750068 WSCOBBLOGOZETA-GOSISDBHSA-N 441.425 4.449 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)NC1(c2cccc(OC(F)(F)F)c2)CCOCC1 470146993 BFTWMVCGMPECMK-UHFFFAOYSA-N 443.353 4.460 5 20 IIBD Cc1nn(CCC(=O)NCC2(c3cc(C(F)(F)F)ccc3Cl)CC2)c(C)c1[N+](=O)[O-] 470328726 XEDSKFBFSYXGJM-UHFFFAOYSA-N 444.841 4.318 5 20 IIBD CCN(CCCN1CCCC1)C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 472975301 HYZLYUQRWZIKII-UHFFFAOYSA-N 434.587 4.459 5 20 IIBD COC(=O)COc1ccc(CN2CCc3sccc3[C@H]2c2cccs2)cc1[N+](=O)[O-] 475587659 ZZFZNFYFLZDUFO-NRFANRHFSA-N 444.534 4.417 5 20 IIBD O=[N+]([O-])c1cccc2ncnc(N3CCO[C@H](c4ccc(F)c(Br)c4)C3)c12 475732553 YJSLNPWUFLXUCU-INIZCTEOSA-N 433.237 4.018 5 20 IIBD COc1cc(C(=O)Nc2cc(Br)ccc2-n2cccn2)cc([N+](=O)[O-])c1C 480114917 YZVMORGCNKZROS-UHFFFAOYSA-N 431.246 4.112 5 20 IIBD C[C@H](C(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O)c1ccc([N+](=O)[O-])cc1F 480424626 GCAXWQZPUBPOQF-WBDLMLRWSA-N 427.259 4.261 5 20 IIBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1NCCCc1ccccc1 480813342 URISLUIMLACFPN-UHFFFAOYSA-N 432.480 4.008 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCc2cc(Br)ccc2C1 481011447 SPIQMCMMLDOGQM-UHFFFAOYSA-N 430.302 4.156 5 20 IIBD CCn1c(SCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)nnc1-c1ccc([N+](=O)[O-])cc1 481368223 ZEFVBZATPIIYSI-INIZCTEOSA-N 439.541 4.460 5 20 IIBD Cc1c(CNC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cccc1[N+](=O)[O-] 481487180 AOFQMTMHVGDXKP-UHFFFAOYSA-N 449.429 4.091 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(C(F)(F)F)nn2)cc1 484139431 OVLBGPUOCDKDAN-UHFFFAOYSA-N 434.330 4.457 5 20 IIBD COC(=O)c1c(F)ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1F 485149857 GSYAOBMHVKXLTK-UHFFFAOYSA-N 433.411 4.148 5 20 IIBD Cc1cc(OCC(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)ccc1[N+](=O)[O-] 485372596 JJGKUPCEHTZZOH-INIZCTEOSA-N 427.482 4.104 5 20 IIBD O=C(N[C@@H](c1cccc(F)c1)c1ccccn1)c1sc(Br)cc1[N+](=O)[O-] 486426302 UJRFVLDQVXRFFD-HNNXBMFYSA-N 436.262 4.472 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@@H](c2ccco2)c2ccccc2OC)c(C)c([N+](=O)[O-])c1 486865577 HDNSHJWKAWRAAY-HXUWFJFHSA-N 439.424 4.203 5 20 IIBD CCOc1cc(NC(=O)COc2ccccc2Br)c([N+](=O)[O-])cc1OCC 488387585 CZFGTEGVIXNUHU-UHFFFAOYSA-N 439.262 4.172 5 20 IIBD Cn1c(SCC(=O)c2cc3c(cc2F)NC(=O)CC3)nc2cc3ccccc3cc2c1=O 488766672 NGRBPJDGTKJZAQ-UHFFFAOYSA-N 447.491 4.086 5 20 IIBD O=C(CCn1cc(Br)c([N+](=O)[O-])n1)Nc1ccc(OCc2ccccc2)cc1 488858009 ORRXLIRAMYQTGQ-UHFFFAOYSA-N 445.273 4.162 5 20 IIBD COC(=O)c1cc(NC(=O)c2c(C)nn(C)c2Sc2ccccc2)c(C)c([N+](=O)[O-])c1 489741708 HNAZMMNKHLSFPD-UHFFFAOYSA-N 440.481 4.135 5 20 IIBD COc1cc(OC)c(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1Br 490944577 RELORSQMDJFGDG-UHFFFAOYSA-N 427.276 4.105 5 20 IIBD CCn1c(SCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)nnc1-c1cccs1 502012593 BOPUMNZCCLEEGD-UHFFFAOYSA-N 445.570 4.464 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CN1CCOC[C@H]1c1c(C)nn(Cc2ccccc2)c1C 502311196 GFRUJTOLRYTMNK-QFIPXVFZSA-N 436.512 4.039 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 506532522 RSAREUSQVQJUDO-UHFFFAOYSA-N 444.491 4.438 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC([C@H](F)c2ccccc2F)CC1 506739036 WPNNUIRSCLXWOG-IBGZPJMESA-N 431.439 4.239 5 20 IIBD O=C(COc1c([N+](=O)[O-])cnc2ccc(Br)cc12)Nc1cc(F)ccc1F 508150330 MOIPGWQUKANMQU-UHFFFAOYSA-N 438.184 4.201 5 20 IIBD COc1cc(CN2CCC(O)(C(F)(F)F)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 508640050 OQLIBQJGFFXNTG-UHFFFAOYSA-N 440.418 4.072 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H](OCc3ccncc3)C2)cc1 509071695 YDZNALFBJZCYJN-OAQYLSRUSA-N 449.463 4.222 5 20 IIBD COC(=O)C1(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CCC(C)CC1 509167342 MURCVHJQDQTXOQ-PMFMOCITSA-N 440.500 4.015 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 509786423 LRKQSOUKDLBMAY-MRXNPFEDSA-N 442.859 4.244 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(=O)N[C@@H](C1CC1)C(F)(F)F 511734452 NDYFCMTVKWOFJI-AWEZNQCLSA-N 445.444 4.203 5 20 IIBD CCN(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1)c1ccc(C(F)(F)F)cc1 512150611 WBMXCPLNFNFXRE-SFHVURJKSA-N 439.434 4.435 5 20 IIBD Cc1c(NC(=O)CCN[C@@H](CCO)c2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] 512214705 SSCTXIYZXVGZDF-KRWDZBQOSA-N 426.300 4.252 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)c3ccccc23)cc1[N+](=O)[O-] 513636505 BGBFFKWIHXHYLY-UHFFFAOYSA-N 449.282 4.166 5 20 IIBD CCOc1cc(CN[C@H](c2cccc([N+](=O)[O-])c2)c2nccn2C)ccc1OC(F)F 514105508 RLIRVVYBVFGBQS-LJQANCHMSA-N 432.427 4.208 5 20 IIBD C[C@@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)no1 516378435 KYDJTTIPVJBDHX-VXGBXAGGSA-N 445.273 4.388 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CCCc3c(Cl)ccc(F)c32)cc1[N+](=O)[O-] 517554670 GNPJBSDEOCYVSL-UHFFFAOYSA-N 447.879 4.260 5 20 IIBD CNS(=O)(=O)c1ccc(N[C@@H](CCc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 517721956 XEDKUPXMGOQRCT-FQEVSTJZSA-N 425.510 4.289 5 20 IIBD C[C@@H](c1ccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1)N1CCOCC1 520361122 IXOTUVVRBMWIDP-HNNXBMFYSA-N 438.509 4.364 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc(Cl)c1F 520380400 MYHNTXWRFVRYLU-UHFFFAOYSA-N 445.628 4.497 5 20 IIBD COc1ccc(CNC(=O)CCCCOc2ccc(Br)cc2)cc1[N+](=O)[O-] 521283092 AXACIAPRTBYZFU-UHFFFAOYSA-N 437.290 4.231 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 521555540 LIDKKSJWYYWSMR-UHFFFAOYSA-N 448.401 4.044 5 20 IIBD O=C1[C@@H](SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCN1c1ccccc1Cl 522716211 VNFDXIBTMQHBRH-SFHVURJKSA-N 447.900 4.085 5 20 IIBD CC(C)(CNc1ccc([N+](=O)[O-])cc1F)S(=O)(=O)c1ccc(Br)cc1 522802460 RSLSUGXFLHKWQQ-UHFFFAOYSA-N 431.283 4.161 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCn2cccc2[C@@H]1c1ccccc1 523977640 AFAGYTQVDVVIMZ-QFIPXVFZSA-N 425.872 4.450 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1cccc2c1CN(CCC(C)C)C2 524406544 KMLANXARZOTFLX-INIZCTEOSA-N 426.517 4.404 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCC(Oc3ccccn3)CC2)cc1[N+](=O)[O-])c1ccccn1 524812954 RXCDPPRMHZCYDM-KRWDZBQOSA-N 447.495 4.242 5 20 IIBD CN(Cc1ccccc1)CC1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 525354777 WQVKCOHLSOFQOF-UHFFFAOYSA-N 438.572 4.471 5 20 IIBD COc1cc(C(=O)Nc2c(C)cnn2[C@@H]2CCCc3ccccc32)cc([N+](=O)[O-])c1OC 525541997 UEJXQWXLSOMZLZ-GOSISDBHSA-N 436.468 4.295 5 20 IIBD CC[C@H]1CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)[C@@H](CC)CN1C(C)=O 530747705 WDXQNDSNFUIWFH-SFTDATJTSA-N 438.528 4.068 5 20 IIBD CC(C)(C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1)c1ccc([N+](=O)[O-])cc1 532658743 JGSPBCPAGYJVKY-SFHVURJKSA-N 433.302 4.235 5 20 IIBD Cc1c(CC(=O)Nc2nccn2Cc2ccc(Br)cc2)cccc1[N+](=O)[O-] 532671271 WKSRTSNTRABPND-UHFFFAOYSA-N 429.274 4.092 5 20 IIBD C[C@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)c1ccc(OCC(=O)NC2CC2)cc1 534144834 LEBRRXJLGIMYCL-INIZCTEOSA-N 432.480 4.487 5 20 IIBD COc1cc(C(=O)Nc2ccc3c(c2)nc(C2CC2)n3C)c([N+](=O)[O-])cc1OC(F)F 536318455 AHYUKWBJFMCXCF-UHFFFAOYSA-N 432.383 4.221 5 20 IIBD O=C(c1cc(N2CCCC2=O)ccc1Cl)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 536320991 QCHRZETZRKSODH-UHFFFAOYSA-N 443.887 4.059 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCC2([C@@H](O)C(C)C)CC2)cc1[N+](=O)[O-] 539461690 RMIXEHSHCPOZLY-NRFANRHFSA-N 442.537 4.075 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCc3ccc4nc(O)[nH]c4c3)cc2[N+](=O)[O-])n1 544265858 STBGPXOKKFIDGI-UHFFFAOYSA-N 441.494 4.023 5 20 IIBD O=C(c1ccccc1)N1CCC[C@@H](c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)C1 546489965 OKVBUCSHQWBZDD-MRXNPFEDSA-N 431.452 4.070 5 20 IIBD Cn1cnc(-c2ccc(NC(=O)CSc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)n1 546626380 SYNMBTDGPSCJNZ-UHFFFAOYSA-N 437.403 4.140 5 20 IIBD CCn1c(CC23CC4CC(CC(C4)C2)C3)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 549059438 AFGKBQKGLPAVPP-UHFFFAOYSA-N 439.564 4.003 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)cc1 553855890 HEYODCDIXQKENC-QGZVFWFLSA-N 439.512 4.342 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2c2nc(Cc3ccc4c(c3)CCC4)no2)ccc1[N+](=O)[O-] 554826937 XYVOGQRMQCQDSN-NRFANRHFSA-N 432.480 4.343 5 20 IIBD Cn1cc(C(=O)N2CCC(c3noc4cc(F)ccc34)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 555111542 FJPQLDZMNQCSBA-UHFFFAOYSA-N 449.442 4.295 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCc1csc(C(C)(C)C)n1 555877903 QAIDIJOLCZPIQD-UHFFFAOYSA-N 426.336 4.392 5 20 IIBD COc1cc(-c2nc(-c3cccc(OCc4ccccc4)n3)no2)cc([N+](=O)[O-])c1OC 556347524 MAAFWSCAFNONAH-UHFFFAOYSA-N 434.408 4.303 5 20 IIBD COc1cc(OC)cc(Oc2ccc(CNC(=O)c3cc(OC)ccc3[N+](=O)[O-])cc2)c1 556472242 VIXHVOVEYPVISP-UHFFFAOYSA-N 438.436 4.343 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cc(F)c(Br)c(Cl)c1 557723015 AQDXZWOIHPCNKP-NSHDSACASA-N 448.680 4.021 5 20 IIBD CN1CC[C@]2(CCN(C(=O)c3ccc(NCc4ccccc4Cl)c([N+](=O)[O-])c3)C2)C1 558031949 HBRSDAXOTFSLMM-QFIPXVFZSA-N 428.920 4.028 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 563785821 IELRXPAMWPFKLY-KOMQPUFPSA-N 435.402 4.177 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 563853556 ZOAQJDDWUNJGRR-KRWDZBQOSA-N 444.793 4.289 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCCC(=O)Nc1cc(Cl)cc(Cl)c1 567600862 QXQXOWWFVSZMCQ-UHFFFAOYSA-N 435.267 4.070 5 20 IIBD CCCCN(C(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1)[C@@H]1CCC[C@H](C)C1 569161923 MZUZHPPJLQKJKI-GHTZIAJQSA-N 444.576 4.084 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(C3(c4c(F)cccc4F)CCCC3)no2)ccc1-n1cncn1 583591114 AUTOXPXWHPEKOJ-UHFFFAOYSA-N 438.394 4.364 5 20 IIBD COC1CCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)CC1 585725047 UECGLJYLGCDFGL-IBGZPJMESA-N 448.317 4.148 5 20 IIBD O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 589679565 RZFRJBXGWROKDT-CHWSQXEVSA-N 438.328 4.001 5 20 IIBD Cc1ccccc1CN(Cc1ccccc1)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 603531583 XNXCGPAGSUTGQR-UHFFFAOYSA-N 431.492 4.252 5 20 IIBD Cc1noc(CSc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)cc2)n1 603638899 ZZJSWKDOLSASOD-UHFFFAOYSA-N 436.396 4.432 5 20 IIBD COc1ccc([C@H](CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)N2CCCCC2)cc1 604118936 BQGPCRFGXZARDI-JTSKRJEESA-N 426.517 4.191 5 20 IIBD COc1ccc(S(=O)(=O)Nc2nc3c(C(F)(F)F)cccc3s2)c([N+](=O)[O-])c1 608929204 NXEBSERVQZVPDQ-UHFFFAOYSA-N 433.389 4.033 5 20 IIBD COc1ccc(-c2noc(-c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)n2)cc1OC 609473990 QDAUETGQMGTUEV-UHFFFAOYSA-N 435.440 4.191 5 20 IIBD O=[N+]([O-])c1ccc(NCCCCCOC2CCCCC2)c(S(=O)(=O)N2CCCC2)c1 609514495 LMWIBXDUUBGKPX-UHFFFAOYSA-N 439.578 4.311 5 20 IIBD CCn1c(Sc2ncc([N+](=O)[O-])cc2Cl)nc2ccc(Br)cc2c1=O 609890986 SIFXISOMLSRUBP-UHFFFAOYSA-N 441.694 4.287 5 20 IIBD CC(C)(C(=O)Nc1ccc(NC(=O)CCN2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1 610043424 VIZVBTPCOKPGEJ-UHFFFAOYSA-N 438.528 4.326 5 20 IIBD CC(C)(C(=O)NCc1ccccc1COc1ccccc1Cl)n1cc([N+](=O)[O-])cn1 610203046 HHJNVVZTEDPMPZ-UHFFFAOYSA-N 428.876 4.075 5 20 IIBD COCCCOc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)c1 610222098 AORKLYZFSUHDND-UHFFFAOYSA-N 434.448 4.493 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 610598183 WEUDZKNUCGCTCG-UJNFCWOMSA-N 434.720 4.215 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 610766762 YQFFESLOQXFTDJ-ZCVTWQBDSA-N 428.492 4.151 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N1CCC[C@H](C[C@H]2CCOC2)C1 611339217 TZWRUYIGWAUATM-QZTJIDSGSA-N 445.541 4.039 5 20 IIBD C[C@@H](OC(=O)c1cccc(F)c1F)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 726682363 YCDHPSROXWASSY-SNVBAGLBSA-N 433.392 4.181 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C 729667148 OELMHWUMYYZLIL-UHFFFAOYSA-N 447.513 4.392 5 20 IIBD CSc1ccc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)o1 732861502 YDWWJWKILSOGJX-SNVBAGLBSA-N 433.467 4.217 5 20 IIBD O=C(O[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1 733455762 FOQXWKNCNPTILE-KRWDZBQOSA-N 433.342 4.057 5 20 IIBD C[C@H](OC(=O)[C@H](C)Oc1ccc(F)cc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 733562901 GEEDJOVCADDUDG-UWVGGRQHSA-N 445.230 4.378 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 734344536 NLNCCNHIRODTSI-UHFFFAOYSA-N 449.854 4.489 5 20 IIBD COc1ccc([C@@H]2[C@H](COC(=O)c3ccc(SC)c([N+](=O)[O-])c3)CCC(=O)N2C)cc1 735776803 MIQUHTNOTVEQRQ-HRAATJIYSA-N 444.509 4.092 5 20 IIBD Cc1ccc2cccc(C(=O)OCC(=O)Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2n1 741385478 HNVCGZMUBKZGNG-UHFFFAOYSA-N 433.342 4.266 5 20 IIBD COc1ccc2cc(CN(C)C(=O)[C@@H](C)OC(=O)c3cc(F)ccc3[N+](=O)[O-])ccc2c1 743196992 CHQUVRKKPZJSII-CQSZACIVSA-N 440.427 4.100 5 20 IIBD CC(C)(C(=O)N(c1cccc(O)c1)S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 744195221 QKZRXTJDQPUQQP-UHFFFAOYSA-N 440.477 4.000 5 20 IIBD CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)c1 745116480 CIBAFZBITUXTRP-UHFFFAOYSA-N 433.848 4.208 5 20 IIBD O=C(OCc1ccnc(-c2ccc(Br)cc2)n1)c1cc(F)ccc1[N+](=O)[O-] 750024420 QWPMALKRQQJLLW-UHFFFAOYSA-N 432.205 4.310 5 20 IIBD COc1cc(-c2noc(COC(=O)c3ccc(Br)cc3[N+](=O)[O-])n2)ccc1C 750035968 NTVHAGWYJPPFRO-UHFFFAOYSA-N 448.229 4.081 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CCOC[C@H]1c1ccccc1 750889856 FREGGHZQGAAJHA-HNNXBMFYSA-N 425.666 4.224 5 20 IIBD O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 751137281 ZNAHVUWPUNRQAF-UHFFFAOYSA-N 430.892 4.315 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 751260573 FOULAVIIWUQMCV-UHFFFAOYSA-N 434.886 4.425 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)cc1[N+](=O)[O-] 752248837 GOYFZILNFHUOHQ-MRXNPFEDSA-N 442.896 4.066 5 20 IIBD CN(C)c1ccnc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 753013134 IXWOBQMYFLDLHH-UHFFFAOYSA-N 439.859 4.214 5 20 IIBD COc1cc(CN2CCC[C@@H](C3(C)OCCO3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 753593751 GJPPZHPQSFSXFF-HXUWFJFHSA-N 442.512 4.157 5 20 IIBD CC(C)COC[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1ccco1 754996421 NCSQKHYQEPMDPW-CYBMUJFWSA-N 429.242 4.233 5 20 IIBD CC[C@@H]1CN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC[C@H]1NC(=O)OC(C)(C)C 757037057 YZOSXVKEJXPOLB-JFIYKMOQSA-N 434.537 4.299 5 20 IIBD CC1CCN(C(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3Br)cc2)CC1 758124416 HRNULLUCRJWUCY-UHFFFAOYSA-N 446.301 4.482 5 20 IIBD CC(=O)[C@@H]1C[C@H](CC(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)C1(C)C 759530222 HYBRVQFBAYRDBH-DYXWJJEUSA-N 444.528 4.164 5 20 IIBD O=C(Nc1cc(Br)ccc1O)c1cc(F)cc([N+](=O)[O-])c1Br 759708304 RPUDUMWBMHXRRH-UHFFFAOYSA-N 434.015 4.217 5 20 IIBD COc1ccc(NC(=O)CN2CCC[C@H]2c2c(C)nn(CC(C)C)c2Cl)c([N+](=O)[O-])c1 759772262 HLYJHGNIGGDDNK-KRWDZBQOSA-N 449.939 4.193 5 20 IIBD CC[C@@H](CC(F)(F)F)NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 760720583 XPHKFSKYBJRUML-NSHDSACASA-N 442.360 4.176 5 20 IIBD CC[C@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@H]1NC(=O)OC(C)(C)C 760886231 PTGHRSXQWPCACB-HNAYVOBHSA-N 430.505 4.375 5 20 IIBD O=C(OC[C@@H]1CC2(CC2)C(=O)O1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 763049394 CVDVUGJIGYQVPU-HNNXBMFYSA-N 430.844 4.113 5 20 IIBD C[C@H](C(=O)OCC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 763406436 XDTMMHCJFWZDAS-INIZCTEOSA-N 432.432 4.377 5 20 IIBD COC(=O)c1ccc(OC(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 763706386 RXZRLPATVQSTPX-UHFFFAOYSA-N 436.298 4.274 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)Nc2ccc3cc(Br)ccc3c2)cc1[N+](=O)[O-] 764298934 NFKHOGOEYRLBCS-UHFFFAOYSA-N 449.282 4.166 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 766240585 BHVGSMWXJHZXAO-UHFFFAOYSA-N 432.521 4.467 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(CC[C@H](O)c2ccccc2)c1 766324020 ZVCNNKDCCZKTRJ-FQEVSTJZSA-N 442.493 4.076 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)O[C@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 769887145 JDWVPAJBCJPRKV-SECBINFHSA-N 446.328 4.400 5 20 IIBD Cc1cc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 772270296 WFNKAWTXBRIUOP-REBWPMHBSA-N 431.496 4.199 5 20 IIBD C[C@H](Oc1cccc2ccccc12)C(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 774073179 USCGLXDMFMYQAG-KRWDZBQOSA-N 435.480 4.370 5 20 IIBD O=C(O[C@H]1CCO[C@]2(CCOC2)C1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 774979488 UDAOJVTWMFCUMD-HTAPYJJXSA-N 446.887 4.355 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCC(Oc3cccc(Br)c3)CC2)c([N+](=O)[O-])c1 775063706 ZPDPDFOGYOAJQL-UHFFFAOYSA-N 436.262 4.309 5 20 IIBD CN1CC=C(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)CC1 775961115 JSYOGWQPKOIUSE-UHFFFAOYSA-N 448.567 4.046 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1nc(-c2ccc(Cl)cc2)no1 778820533 RTQBBXFZWPFFHP-VIFPVBQESA-N 438.774 4.391 5 20 IIBD O=C(OCc1cc(F)cc2c1OCOC2)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781256347 DCQJEDQVFAIXSM-UHFFFAOYSA-N 441.361 4.322 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c([N+](=O)[O-])c1 784569498 FMVTWHOVLUEARY-UHFFFAOYSA-N 449.345 4.098 5 20 IIBD Cc1ccc(N(CCOCC(F)F)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 786731619 DLJHYMZLMYERDZ-UHFFFAOYSA-N 448.875 4.342 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])OCc1nc(-c2ccc(F)c(F)c2)no1 790741534 NOVNOJSRANQYHU-UHFFFAOYSA-N 427.722 4.001 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)c2nc(-c3ccc(Br)cc3)no2)c1F 790851219 DYJQEFGLXREABZ-SNVBAGLBSA-N 449.236 4.346 5 20 IIBD Cc1nc(COc2ccc(F)cc2)sc1C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 791570217 FGESBAVBYFJOFG-UHFFFAOYSA-N 447.400 4.343 5 20 IIBD Cc1cc(F)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 795294943 XUVQJVGDTBMDAA-UHFFFAOYSA-N 441.234 4.121 5 20 IIBD CC(C)(CC(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)CC(=O)c1ccccc1 799606507 DGSNYZQJBVYJNH-UHFFFAOYSA-N 439.512 4.439 5 20 IIBD Cc1ccccc1-n1c(Sc2nc3ccccn3c2[N+](=O)[O-])nnc1-c1cccnc1 799620875 YFJVVGFXZSOHQR-UHFFFAOYSA-N 429.465 4.345 5 20 IIBD O=[N+]([O-])c1ccc2nc(N(CCn3ccnc3)Cc3ccc(Br)o3)sc2c1 804779479 DDFRXMDDUJSECU-UHFFFAOYSA-N 448.302 4.463 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)Nc1cc(F)c(Cl)cc1N1CCOCC1 808902681 VJSBTLCHVZRQMB-UHFFFAOYSA-N 443.262 4.199 5 20 IIBD CC[C@H](NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1cccc(Cl)c1 810348367 VEHJUTJHVNOFLU-AWEZNQCLSA-N 440.681 4.217 5 20 IIBD Cc1nc(-c2ncccn2)sc1C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811214656 DMRPFPHZKTXAPA-UHFFFAOYSA-N 439.478 4.297 5 20 IIBD COc1cccc(-n2ccnc2SCC(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 811932568 YSBJOJGFNBDRJI-UHFFFAOYSA-N 446.916 4.193 5 20 IIBD Cc1ccc([C@@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@@H](C)S(C)(=O)=O)cc1 813237387 CDHOLHGOZBRCKQ-BZNIZROVSA-N 445.324 4.114 5 20 IIBD Cc1ccc([C@@H](OC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c2cncn2C)cn1 816321925 BQRCXAGLHLZOKE-GOSISDBHSA-N 445.273 4.049 5 20 IIBD COc1ccc(CCC(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1Cl 818174310 PCEWFCLYTLMMRP-LLVKDONJSA-N 441.267 4.413 5 20 IIBD COc1ccc(CN(C(=O)c2cc([N+](=O)[O-])c3nsnc3c2)[C@H](C)C2CC2)c(OC)c1 820001739 APPSEYQCBJQTJK-GFCCVEGCSA-N 442.497 4.058 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccc(O)cc1O 849120231 GZJPAGHXVIMRTB-LJQANCHMSA-N 442.811 4.196 5 20 IIBD CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)SCc2cc([N+](=O)[O-])ccc2OC)c1 861872636 PPJOOFZSBXDPHT-HNNXBMFYSA-N 445.541 4.346 5 20 IIBD Cc1csc(Sc2ccc(C(=O)O[C@@H](C(=O)N3CCCC3)C(C)C)cc2[N+](=O)[O-])n1 877847370 XBOUWVNRKZSJSV-QGZVFWFLSA-N 449.554 4.315 5 20 IIBD CCCOc1cc(NC(=O)c2cccnc2-n2cccn2)c([N+](=O)[O-])cc1OCCC 914718220 MEZUNIBTVMCALK-UHFFFAOYSA-N 425.445 4.005 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N2CCCc3cc(OC(F)(F)F)ccc32)cc1[N+](=O)[O-] 915158514 JHLWJJCHVZGJBC-UHFFFAOYSA-N 425.319 4.303 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(OC)c(NC(=O)OC(C)(C)C)c1 915215245 VZFQAXQRKAVDAD-UHFFFAOYSA-N 446.460 4.010 5 20 IIBD COc1c([N+](=O)[O-])cc(NCCCCN2CCCC[C@H]2C)c([N+](=O)[O-])c1Br 917073267 LOIKSEMSCGGBBS-GFCCVEGCSA-N 445.314 4.341 5 20 IIBD O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)C1 917084382 CTXULUREEHDXJM-LLVKDONJSA-N 439.697 4.261 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 918413911 DZEXQKKQOJZWHK-UHFFFAOYSA-N 441.793 4.397 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 918537115 GSSNKLLUSWQGGS-HNNXBMFYSA-N 445.447 4.120 5 20 IIBD CC1CCN(c2ccc(C(=O)OCc3csc(-c4cnn(C)c4)n3)cc2[N+](=O)[O-])CC1 918829373 CIYUSBFAACHQPZ-UHFFFAOYSA-N 441.513 4.045 5 20 IIBD O=C(OCCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1c(Cl)nc2ccccn12 920144664 BHDPMHCSQWPBIC-UHFFFAOYSA-N 429.738 4.151 5 20 IIBD O=C(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1SCc1cccs1 1115857389 KUXVSZLWQOMZTL-UHFFFAOYSA-N 434.520 4.067 5 20 IIBD COc1ccc(-c2cc(NS(=O)(=O)c3c(C)cccc3[N+](=O)[O-])ccc2OC)cc1 1317905909 VHKABMUOXUSACA-UHFFFAOYSA-N 428.466 4.388 5 20 IIBD CC(C)CCOc1ccc(-c2nnc(-c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)o2)cc1 1327038045 HWZUQFWQTLSXFM-UHFFFAOYSA-N 431.470 4.140 5 20 IIBD COc1cc(CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc(Cl)c1OC 1356028991 GWYKYTIGAVDPOC-UHFFFAOYSA-N 449.891 4.018 5 20 IIBD COc1ccccc1CC(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1 1785751570 JUBIAHNBICQYAZ-UHFFFAOYSA-N 449.463 4.187 5 20 IIBD Cc1cc[nH]c1C(=O)Nc1ccc(C2(NC(=O)Cc3cccc([N+](=O)[O-])c3)CCC2)cc1 1787100231 DGGXEOJCCQLYDW-UHFFFAOYSA-N 432.480 4.222 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)NC1(c2ccc(NC(=O)CC(F)(F)F)cc2)CCC1 1787873419 XNIJYDLRXRBTAW-SOFGYWHQSA-N 437.374 4.288 5 20 IIBD Cc1occc1C(=O)NC1(c2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2)CCC1 1790619207 XRVYEJBNRWZKSY-UHFFFAOYSA-N 435.436 4.263 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@H]3CC3(F)F)CCC2)cc1)c1ccc([N+](=O)[O-])cc1F 1790621832 KWQZLXOSSXQJIK-MRXNPFEDSA-N 433.386 4.137 5 20 IIBD Cc1ccc([C@H](C)C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C3)cc1 1801777987 JFMFSAKZKXJLKD-KANFNMMFSA-N 439.487 4.098 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)c1c(C)nn(Cc2ccc(F)cc2)c1Cl 12018456 HDZDSINEHYMCEP-UHFFFAOYSA-N 433.823 4.306 5 20 IIBD CSc1ccc(C(=O)COC(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc1NC(C)=O 16817415 PVERMOQZWIVCQT-UHFFFAOYSA-N 434.495 4.037 5 20 IIBD Cc1nc(-c2ccccc2)c(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)s1 18764945 CHJFYZSVKOECNY-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)COc2ccccc2F)c2ccccc2)c([N+](=O)[O-])c1 20753316 BOZQWOQCLDCYQH-QFIPXVFZSA-N 438.411 4.344 5 20 IIBD C[C@H](OC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)N(C)Cc1c(F)cccc1Cl 22243816 SGFPKXXDVBDJMH-LBPRGKRZSA-N 449.866 4.166 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cc1OC 27378272 LEYRMRBUAKMBFQ-CQSZACIVSA-N 425.441 4.163 5 20 IIBD CN(CC(=O)Nc1cccc(Cl)c1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 64908684 OELSYAOPZSQRAY-UHFFFAOYSA-N 430.873 4.082 5 20 IIBD Cc1cc(C)n(-c2ccc(NC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)cc2F)n1 65088407 FHXGJLFUTRRRMA-UHFFFAOYSA-N 434.431 4.189 5 20 IIBD COc1ccccc1C1(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CCCC1 65140255 IDKIDJXDYKDGPD-UHFFFAOYSA-N 437.540 4.448 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] 110366079 DJNAOFLODZBTJA-IBGZPJMESA-N 449.429 4.185 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCn3c2nc2ccccc23)cc1 195693299 VSATWRKVSCFQNW-UHFFFAOYSA-N 430.420 4.406 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N2CCC[C@H]2c2nc3ccccc3s2)c([N+](=O)[O-])c1 255360977 WQULONDSZNLEPK-GUYCJALGSA-N 426.498 4.377 5 20 IIBD CN(C)S(=O)(=O)c1ccc(CNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])cc1 301125058 ZTAUTPOVWYEZDE-UHFFFAOYSA-N 437.827 4.129 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCC1(c2ccccc2Cl)CCOCC1 301389325 FRPJPBFNTQRUPH-UHFFFAOYSA-N 431.876 4.365 5 20 IIBD Cc1c(C(=O)Nc2cc(Br)cnc2OCC(F)(F)F)cccc1[N+](=O)[O-] 303514870 CADFCZRYMHYUIG-UHFFFAOYSA-N 434.168 4.254 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2nc3c(s2)C[C@H](c2ccccc2)CC3)c([N+](=O)[O-])c1 409576662 OEVMCTGDQJQTGI-OAHLLOKOSA-N 429.523 4.433 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@H](C)C[C@H]1c1ccc(C(F)(F)F)cc1 410077500 UKFUSVVIDUXATA-TYILLQQXSA-N 449.429 4.342 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@H]1CCOC2(CCCCC2)C1 425993183 JUMYSPSSVPYDHH-HNNXBMFYSA-N 444.454 4.207 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)cc1 427555069 VCWYFMBTZSCYEN-NYHFZMIOSA-N 444.509 4.180 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CN[C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 429800315 REIRGXQXCUHELZ-QHCPKHFHSA-N 440.521 4.195 5 20 IIBD CC(=O)Nc1nc2ccc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])cc2s1 429826096 ZKPCATYVYJCXOQ-UHFFFAOYSA-N 435.259 4.178 5 20 IIBD O=C(NC[C@H]1CCCN(c2ccccc2)C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 434510266 WGXYQMUPPXNVID-LJQANCHMSA-N 438.528 4.064 5 20 IIBD Cc1cccc(S(=O)(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1Br 435211771 VAUQGIWVKHXVBU-UHFFFAOYSA-N 425.304 4.019 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N(CCn1ccnc1)Cc1cccc(Cl)c1 436017243 AZJDFXRWRHIMRD-UHFFFAOYSA-N 430.917 4.266 5 20 IIBD COc1ccc(Cl)cc1N1CC[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 436362985 MGSLAJUPGHEIIL-KRWDZBQOSA-N 447.922 4.352 5 20 IIBD O=C(Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1)c1ccc(O)c([N+](=O)[O-])c1 436975150 HHLCMFHXBHSQCA-UHFFFAOYSA-N 431.857 4.198 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)N(Cc1ccccc1)C1CCCCC1 437281895 ZJJICDJZDMZQFA-UHFFFAOYSA-N 447.438 4.496 5 20 IIBD Cc1ccc(C)c(-n2ncc(NC(=O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)c2C)c1 438650701 SLITWZQIVABNGY-UHFFFAOYSA-N 449.511 4.081 5 20 IIBD CC(C)c1ccc(C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)cc1[N+](=O)[O-] 439148527 YQNLHQNPKNOUPP-UHFFFAOYSA-N 441.797 4.363 5 20 IIBD O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 444829558 YQNNJMIPNWKBCI-KRWDZBQOSA-N 425.488 4.172 5 20 IIBD O=[N+]([O-])c1ccccc1Cc1noc(C2(c3ccc(Br)cc3)CCOCC2)n1 445202537 DRCSRUSMJDYDEK-UHFFFAOYSA-N 444.285 4.428 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N[C@H](C)[C@H](O)Cc2ccccc2)c([N+](=O)[O-])c1 446874496 VZDGFZSEOFQWOL-WAIKUNEKSA-N 448.475 4.016 5 20 IIBD Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)n(-c2ccc(F)cc2)n1 446967755 UPJLHHDLOPNCAM-UHFFFAOYSA-N 444.366 4.048 5 20 IIBD CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c1 460778399 LQPOJCORCLGTDD-UHFFFAOYSA-N 432.908 4.465 5 20 IIBD CCN1CC[C@@H](N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2Cc2cccs2)[C@H](C)C1 461483305 DNPASKFIESIVJR-OXQOHEQNSA-N 440.573 4.130 5 20 IIBD Cc1ccc(-c2nnc(N3CCc4ccc([N+](=O)[O-])cc4C3)n2C[C@H]2CCCCO2)s1 461803958 BCKYLACYKULYLK-LJQANCHMSA-N 439.541 4.355 5 20 IIBD CCN(CC(=O)Nc1c(F)cccc1F)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 462441098 VWKGSMLZNBNVKW-UHFFFAOYSA-N 442.422 4.312 5 20 IIBD COc1cc(CN2CCN([C@H](C)c3ccsc3)CC2)c([N+](=O)[O-])cc1OCC(F)F 462463777 HOQSAZOLSNQSRZ-CQSZACIVSA-N 441.500 4.188 5 20 IIBD Cc1c(C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)sc2nc3n(c(=O)c12)CCCCC3 463134615 KIYXGCYJHFGCSV-UHFFFAOYSA-N 449.492 4.202 5 20 IIBD COc1ccc(CSCC(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1[N+](=O)[O-] 463927494 VDIINKGXATZGBR-UHFFFAOYSA-N 433.917 4.330 5 20 IIBD CSc1cccc([C@@H](NC(=O)Cn2cc([N+](=O)[O-])nc2C)c2ccc(F)c(F)c2)c1 464115821 HZGZIKGBBIGOCQ-HXUWFJFHSA-N 432.452 4.006 5 20 IIBD Cc1nc2sccn2c1CN(C)C(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 464811827 DJFDNGMOZGECIE-HUUCEWRRSA-N 441.557 4.367 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(I)c(C)cc1C 466513021 FCRZEBIIWPCGJY-UHFFFAOYSA-N 440.237 4.467 5 20 IIBD Cc1ccc(CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(OC[C@H]2CCCO2)c1 466550088 BUHOXZDNEBOCEQ-YLJYHZDGSA-N 427.501 4.330 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCN(c3cccs3)CC2)cc1[N+](=O)[O-])c1ccccn1 466917859 UNFOWVBZAGQENK-INIZCTEOSA-N 437.525 4.187 5 20 IIBD CC(C)(C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1ccc([N+](=O)[O-])cc1F 468079739 OVRQGKCTTZLOCV-JOCHJYFZSA-N 449.482 4.378 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1)N(Cc1cccc(Br)c1)C1CCOCC1 468162071 YYUDWYYZRHJUAV-UHFFFAOYSA-N 437.265 4.318 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cc(F)c(Br)cc2C)cc([N+](=O)[O-])c1 471565225 BZOJPYJFWPHOMB-UHFFFAOYSA-N 425.210 4.234 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)c(Cl)c1 471869372 AIAAGTAZCLFLQF-SFHVURJKSA-N 438.292 4.365 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 478004940 UGOQBQFXHSEQRM-CHWSQXEVSA-N 436.331 4.305 5 20 IIBD COc1ccc([C@@H](NCc2ccc([N+](=O)[O-])cc2F)c2cccc(S(C)(=O)=O)c2)cc1 478257835 SAMUUAZQGOGPFA-JOCHJYFZSA-N 444.484 4.025 5 20 IIBD CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)c1n[nH]cc1[N+](=O)[O-] 479145667 MPRICEGXVVMNGX-UHFFFAOYSA-N 436.859 4.096 5 20 IIBD Cc1cc(=O)c(C(=O)N2c3ccccc3[C@H](C)CC2(C)C)nn1-c1ccccc1[N+](=O)[O-] 479226264 ZSOZZCUXXAXDAB-OAHLLOKOSA-N 432.480 4.382 5 20 IIBD CCN(Cc1ccccc1)C(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] 479260022 WDELPIPXRWZAPA-UHFFFAOYSA-N 427.482 4.301 5 20 IIBD CC[C@@H](C)[C@H](NCc1ccc([N+](=O)[O-])cc1F)C(=O)Nc1cccc(N2CCCC2)c1 479951423 AIMQOOXXMCVSBG-ZHRRBRCNSA-N 428.508 4.477 5 20 IIBD C[C@H](NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1)c1ccc([N+](=O)[O-])cc1 481180851 MUIKZFRDTKLAIG-INIZCTEOSA-N 443.500 4.063 5 20 IIBD COC(=O)c1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc(Cl)c1F 481595838 PKLQYSFBVNDJFS-UHFFFAOYSA-N 445.628 4.118 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCN(C3CC3)c3ccc(Cl)cc32)cc1OC 484332428 BWOHXPPGOCUIFV-UHFFFAOYSA-N 431.876 4.285 5 20 IIBD CCc1cccc(N(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)[C@@H]2C[C@H]3CC[C@H]2C3)c1 485247278 SBLRDJHGBNFVGM-ABSDTBQOSA-N 442.537 4.396 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCC(F)(F)C1 485407360 GPDHEOJKDCHSKB-ZDUSSCGKSA-N 441.456 4.252 5 20 IIBD COCc1nocc1C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 486394481 MSIQENZPBQIJMG-UHFFFAOYSA-N 435.795 4.244 5 20 IIBD CCOc1cc2c(cc1CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)O[C@H](C)C2 487761611 QNJNANJZQHKTSW-OAHLLOKOSA-N 425.485 4.191 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N[C@@H](COc2ccccc2F)C(C)(C)C)c([N+](=O)[O-])c1 489143264 XZFBCEZXMWGENR-XOBRGWDASA-N 433.480 4.153 5 20 IIBD CC(C)n1c([C@H]2CCCN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)C2)nc2ccccc21 489380868 RYCXDLSTAKUTEZ-HNNXBMFYSA-N 436.468 4.274 5 20 IIBD CCn1c(SCc2nc(Cc3ccccc3C)no2)nnc1-c1ccc([N+](=O)[O-])cc1 489462199 JUPRNISQBGZZIT-UHFFFAOYSA-N 436.497 4.448 5 20 IIBD O=C(Nc1ncccc1OCc1cccc(Cl)c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 489574436 YUAPTACIUAHBQA-UHFFFAOYSA-N 427.800 4.203 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC(n2ccc(C(F)(F)F)n2)CC1 490922949 COASYXSEXUAXLE-UHFFFAOYSA-N 436.312 4.306 5 20 IIBD COc1cc(CCNC(=O)N2C[C@H](c3ccc(C)cc3)C[C@H]2C)c([N+](=O)[O-])cc1OC 494232476 AOYKAOAYOUDRRR-VQIMIIECSA-N 427.501 4.051 5 20 IIBD Cc1c(NC(=O)CCc2nc(O)c3c4c(sc3n2)C[C@@H](C)CC4)cccc1[N+](=O)[O-] 495730599 VNYRKEXBSAEUKS-NSHDSACASA-N 426.498 4.310 5 20 IIBD Cc1nc(CNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)oc1-c1ccc(Cl)cc1 497735543 YXEUOZAJIVBDRB-UHFFFAOYSA-N 447.900 4.226 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)c1ccc(NC(=O)Nc2ccccc2)cc1 499694437 LHNAWFBEYLZKHP-OAHLLOKOSA-N 436.472 4.011 5 20 IIBD CC(C)CCSc1ccc(C(=O)NC2CCN(CC(F)(F)F)CC2)cc1[N+](=O)[O-] 501249824 HVDOXBHONAPDCF-UHFFFAOYSA-N 433.496 4.490 5 20 IIBD COc1cccc(Oc2ccc(CNC(=O)c3ccc(SC)c([N+](=O)[O-])c3)cn2)c1 501375047 CIJIKYISMXFTCK-UHFFFAOYSA-N 425.466 4.443 5 20 IIBD O=C(Nc1ccc(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1)c1ccc(F)cc1 501892425 FWJQAOSIVWLYSN-UHFFFAOYSA-N 432.411 4.398 5 20 IIBD C[C@@](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)(C(N)=O)c1ccccc1 502777054 LFRXFWPBGJSALH-QFIPXVFZSA-N 439.855 4.171 5 20 IIBD CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1ccc(CN2CCC(O)CC2)cc1 504899776 MARLARPRLVWGMF-FQEVSTJZSA-N 429.586 4.212 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc(Oc3ccncc3)c(Cl)c2)cc([N+](=O)[O-])c1 505841009 URQVXEDVDTVBBR-UHFFFAOYSA-N 427.800 4.474 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCc2cccc(CN(C)C)c2)cc1[N+](=O)[O-])c1ccccn1 506193732 XTUFXKMXMHQSHY-QGZVFWFLSA-N 433.512 4.155 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)[C@H]1CCO[C@@H]1c1ccnn1Cc1ccccc1 509300520 IDJRNZXHFJPLDW-MBSDFSHPSA-N 443.463 4.104 5 20 IIBD COc1cc(CN2CCC(OCCc3ccccc3)CC2)c([N+](=O)[O-])cc1OC(F)F 510354759 MEVUPVDVAKASTF-UHFFFAOYSA-N 436.455 4.429 5 20 IIBD Cc1noc(C2(C)CCN(C(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)CC2)n1 511329416 XDSOZUJUTIMXDQ-UHFFFAOYSA-N 435.484 4.092 5 20 IIBD CN(c1ccc(Br)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 511710464 QPIYGSIENDXKPQ-UHFFFAOYSA-N 440.102 4.489 5 20 IIBD CC(C)COc1cccc(CNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)c1 512825485 FEHVXCLHUXPHPY-UHFFFAOYSA-N 433.530 4.026 5 20 IIBD CCOc1cc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)N1CCCCC1 513115885 WYYYWDGKQGLYCK-GOSISDBHSA-N 441.528 4.236 5 20 IIBD CC(C)c1cccc2sc(N(Cc3ccccc3)C(=O)Cn3cnc([N+](=O)[O-])n3)nc12 516170822 QDAGWSLJTVBUBK-UHFFFAOYSA-N 436.497 4.153 5 20 IIBD COc1ccc(Cl)cc1C1(CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CCOCC1 516750108 OHYBYVGYFQNLGB-HNNXBMFYSA-N 447.919 4.365 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(NCc3ccc(-n4ccc(C(F)(F)F)n4)cc3)cc2N1 520470116 CPOMABZLXGAZOK-UHFFFAOYSA-N 431.374 4.296 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccc(C(F)(F)F)cc1 524187468 ZWUQWDCIMDLSQA-LPHOPBHVSA-N 435.402 4.470 5 20 IIBD CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCc1cccc([N+](=O)[O-])c1 524338496 AQFJEOCECATQQN-GOSISDBHSA-N 438.311 4.363 5 20 IIBD COc1cc(CN(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c([N+](=O)[O-])cc1OC(F)F 530865817 IFKDTMYEAKCYPM-WUTCKBNWSA-N 428.457 4.135 5 20 IIBD CN1CCc2ccc(NC(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)cc2C1=O 532129417 DLGMJQMHAJYSLJ-UHFFFAOYSA-N 430.464 4.087 5 20 IIBD CCn1cc(S(=O)(=O)N[C@@H](C)c2ccccc2-c2ccc(Cl)cc2)c([N+](=O)[O-])n1 533174892 OSJPMMQSIXAETJ-ZDUSSCGKSA-N 434.905 4.171 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 534274618 JJDPHJYSFKSTBR-LJQANCHMSA-N 440.525 4.495 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(NC(=O)CN2CCCCCC2)cc1 536122802 BKXYHJLKCCLWPO-UHFFFAOYSA-N 449.511 4.072 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C)cc1SC 536466826 GHIAHGDPKMRBOF-UHFFFAOYSA-N 434.539 4.210 5 20 IIBD CN(C(=O)c1cccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2O)c1)c1ccccc1 541834238 CSVCEUAIDNOQDF-UHFFFAOYSA-N 425.828 4.483 5 20 IIBD O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 542064624 XDCVWDJNZHCSQC-LJQANCHMSA-N 435.402 4.402 5 20 IIBD CC(C)n1nnnc1-c1ccccc1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 542341693 VHOKEGZNTPFLEF-UHFFFAOYSA-N 435.469 4.205 5 20 IIBD COc1ccc(NC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)cc1[N+](=O)[O-] 543854159 JBSYXAUTNUUBQX-UHFFFAOYSA-N 439.399 4.012 5 20 IIBD Cc1cc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)n(-c2ccc(C(F)(F)F)cn2)n1 544423272 NICHLPIIZAJAQR-LLVKDONJSA-N 437.353 4.384 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3cnc([C@H]4CCCO4)s3)n2)c(Br)c1 544999263 IWUYPUVHUSTZBO-GFCCVEGCSA-N 437.275 4.306 5 20 IIBD Cc1cc(-c2noc(-c3csc(-c4cccc([N+](=O)[O-])c4)n3)n2)ccc1-n1cncn1 545760732 CGZUCEYQGZIOGE-UHFFFAOYSA-N 431.437 4.324 5 20 IIBD O=[N+]([O-])c1ccc(-n2ccc(-c3nc(-c4cnc(Oc5ccccc5)cn4)no3)n2)cc1 546520012 KDEBUKGKDUAAMX-UHFFFAOYSA-N 427.380 4.080 5 20 IIBD COc1cc(Cc2noc(-c3nn(-c4ccccc4Cl)cc3C)n2)ccc1[N+](=O)[O-] 547178452 BGBRYUFMSGPBGB-UHFFFAOYSA-N 425.832 4.392 5 20 IIBD Cn1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c2ccc(Cl)cc2)n1 547226910 UCPGSMSMMDOLCW-KRWDZBQOSA-N 436.802 4.103 5 20 IIBD CN(Cc1ccccc1F)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCO1 550037636 KWWPPAJPVYHWDU-IBGZPJMESA-N 425.464 4.198 5 20 IIBD O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 550062932 YIYMTMDHLVQUJT-HXUWFJFHSA-N 427.888 4.007 5 20 IIBD Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 551283405 LAGKQNYPLHWSML-AWEZNQCLSA-N 443.301 5.032 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)n1 553564066 QNSLKWLIHNXOHW-QGZVFWFLSA-N 439.390 4.375 5 20 IIBD Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1 553830362 OHQORKLIODNYJP-GOTSBHOMSA-N 437.540 4.137 5 20 IIBD O=C([C@@H]1Cc2ccccc2CN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCCC1 555314532 BTXHWUUSQVGUEU-FQEVSTJZSA-N 433.430 4.163 5 20 IIBD O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CCC[C@@H]1c1cccc2c1OCCO2 555559419 MWXMYTCHBKTOED-LJQANCHMSA-N 431.448 4.405 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 557564414 RXEYTHOJFOJQBJ-DYXWJJEUSA-N 435.505 4.363 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NC[C@H](Cc1ccccc1)C(F)(F)F 562225619 XOFOCRTXKNYNOH-HNNXBMFYSA-N 433.386 4.059 5 20 IIBD Cc1c(Br)cc(C(=O)N2CC[C@]3(CCc4ccccc4O3)C2)cc1[N+](=O)[O-] 570326118 KDAFOJSPUYFEKX-HXUWFJFHSA-N 431.286 4.276 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N[C@@H]2c3ccccc3CC23CCOCC3)c([N+](=O)[O-])c1 572897213 ZHLJPDHBJBLNEW-JOCHJYFZSA-N 432.480 4.065 5 20 IIBD C[C@@H](OCCCNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ccccc1 574344927 PDJREKKGVIRAKH-MRXNPFEDSA-N 427.501 4.115 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3cncc(Br)c3)no2)c(Br)c1 582034450 AQSBABRQWQWNBN-UHFFFAOYSA-N 426.024 4.232 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1(c2noc([C@@H]3CCOC3)n2)CCCCCC1 582152269 MPMYACQYIJEHNS-MRXNPFEDSA-N 443.504 4.415 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCCN(CCCc2ccccc2)CC1 583707076 KBNIZLWKWRJBKX-UHFFFAOYSA-N 435.446 4.394 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccc(Cl)c(I)c1 586825227 QAYJPFXOCZSVEQ-UHFFFAOYSA-N 444.656 4.168 5 20 IIBD C[C@H](Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)c1ccc(OCc2ccc(F)cc2)cc1 600848517 UFLRSZBGTGNQCG-AWEZNQCLSA-N 445.472 4.133 5 20 IIBD Cc1cc(CN(C)C(=O)COc2ccccc2[N+](=O)[O-])cc(C)c1OCC(F)(F)F 604018166 DNUOJLUQNSGWEC-UHFFFAOYSA-N 426.391 4.190 5 20 IIBD COc1ccc(C(=O)Nc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)c(Br)c1 608962268 ASMQUEDOUCLIRV-UHFFFAOYSA-N 431.246 4.112 5 20 IIBD CC(=O)Nc1cc(Cl)ccc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 609262892 XCTLNIUIXSYUEI-UHFFFAOYSA-N 431.754 4.400 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@H](N3CCCC3)C2)cc1 609345783 CLHCTXLKJBFTGX-SFHVURJKSA-N 425.485 4.096 5 20 IIBD CCCOc1cc(NC(=O)N2CC[C@@H](N3CCCCC3)C2)c([N+](=O)[O-])cc1OCCC 609355955 OPACINXMLXYKBM-QGZVFWFLSA-N 434.537 4.265 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C)c(C)c2)c1 609453752 WMWGEIYUNKDCNS-SFHVURJKSA-N 431.539 4.087 5 20 IIBD Cc1ccccc1[C@H](C)NC(=O)[C@H](C)SCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 609770248 HXTNALIDRJPHEE-HOTGVXAUSA-N 443.525 4.200 5 20 IIBD Cn1cccc1[C@H]1CCCN1C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 609873686 PUILDNWPZRKBAZ-QGZVFWFLSA-N 434.283 4.403 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1CN(C)C(=O)c1cccs1 609984979 MOGDCZQFRBLAOC-UHFFFAOYSA-N 445.522 4.038 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(CN2CCCCCC2)CC1 612285615 KHMKUCXCBMTOLS-UHFFFAOYSA-N 425.982 4.455 5 20 IIBD C[C@H]1CN(c2ccccc2F)CCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 616106510 VPTAJGXNHGFRHB-AWEZNQCLSA-N 426.473 4.208 5 20 IIBD COc1cc(Cc2noc(CCc3ncc(-c4ccccc4)o3)n2)c([N+](=O)[O-])c(OC)c1 618439405 NHHBAEXFRUDMSL-UHFFFAOYSA-N 436.424 4.026 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nc2c(s1)CCN(Cc1ccccc1)C2 619276079 XNMFVODCJZMBOP-UHFFFAOYSA-N 438.509 4.261 5 20 IIBD COc1ccc(CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@@H](C)C2CC2)c(OC)c1 619820105 GCUURBQEYYBSIX-INIZCTEOSA-N 427.501 4.165 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1 727220426 QXQFTIAOBATMRJ-NSHDSACASA-N 427.240 4.159 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C 729667856 ULGYIBKAJAXFAS-UHFFFAOYSA-N 447.513 4.392 5 20 IIBD O=C(c1ccc(I)c([N+](=O)[O-])c1)N(CC1CCCCC1)C1CC1 730481271 IEBYJKUWOXLCKN-UHFFFAOYSA-N 428.270 4.384 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 731830536 DPKYPKFOGZJYRQ-OAQYLSRUSA-N 440.887 4.020 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCC[C@@H](c3nnc(S)n3C3CC3)C2)cc1[N+](=O)[O-] 732171315 JUBSIQLZDJGRAT-CQSZACIVSA-N 429.546 4.127 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NC[C@@H](O)c2ccccc2C)c([N+](=O)[O-])c1 732806209 ZZTLTNWEFPAMOY-JOCHJYFZSA-N 434.448 4.066 5 20 IIBD COc1cc(OCC(=O)O[C@H](c2ccc(Br)cc2)C2CC2)ccc1[N+](=O)[O-] 734726732 IYSMMPVTTCQYCO-IBGZPJMESA-N 436.258 4.439 5 20 IIBD O=C(COC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 734923467 ZBYIBXAKNVJNKF-GHMZBOCLSA-N 444.312 4.177 5 20 IIBD COc1cccc(-n2c(C)nnc2SCC(=O)Oc2cc([N+](=O)[O-])c(Cl)cc2C)c1 735645495 LHFWEHXZQCSRJK-UHFFFAOYSA-N 448.888 4.152 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 735790665 AAHSLXWFVYJBQI-MRVPVSSYSA-N 447.694 4.105 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc(Cl)cc(Br)c1 747134028 SLCQAWXQVOAWEJ-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD CC(C)n1c(S)nnc1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 747414250 BPHMHTJCENOIDE-LLVKDONJSA-N 443.451 4.095 5 20 IIBD O=C(OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccnc(Oc2ccccc2)c1 749338372 BVKFBVWFVNTWGB-UHFFFAOYSA-N 441.827 4.022 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(Cl)c(Cl)cc2OC)c([N+](=O)[O-])c1 750436372 BPHVCIASIAIJIN-VIFPVBQESA-N 443.239 4.103 5 20 IIBD O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@H](OCCCc2ccccc2)C1 752062593 RYWMDTJNZZYLAB-KRWDZBQOSA-N 433.302 4.221 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N(C)Cc2ccc(Br)s2)cc1[N+](=O)[O-] 752232049 PNPBDUQKKMZMAG-UHFFFAOYSA-N 439.740 4.201 5 20 IIBD CC1([C@H]2CCCN(Cc3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)C2)OCCO1 753596156 RYISRRHBHGISAN-NRFANRHFSA-N 448.523 4.423 5 20 IIBD C[C@@H](OC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)N(C)Cc1nc2ccccc2s1 755068798 XMAUCMATRHADLU-CHWSQXEVSA-N 445.472 4.037 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)CCCc1cc(Cl)sc1Cl 756234505 JZYSGISPXIITQX-UHFFFAOYSA-N 437.326 4.099 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)OCc1ncc(-c2ccccc2F)o1 756523345 AMRPCWSKMWSMOO-UHFFFAOYSA-N 435.205 4.437 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1COc2ccc(Br)cc21 758164105 DDJAUSAAUDSIJP-CQSZACIVSA-N 425.666 4.145 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc(F)c(C(F)(F)F)c(F)c2)cccc1[N+](=O)[O-] 758840718 MSOMBLYXSROARP-SECBINFHSA-N 432.301 4.384 5 20 IIBD C[C@@H](Cc1ccccc1Br)NC(=O)c1cc([N+](=O)[O-])ccc1Br 759811158 MERKIXGFGNQMOT-JTQLQIEISA-N 442.107 4.481 5 20 IIBD O=C(COC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)N[C@@H](c1ccccc1)c1cccs1 762909772 YBPRLGGJQQWKJX-NRFANRHFSA-N 435.461 4.200 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1[N+](=O)[O-] 765275785 XOALQCDNJDWMOE-ZHRRBRCNSA-N 432.521 4.007 5 20 IIBD Cn1c(COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)nnc1-c1ccc(Cl)cc1 770419743 WQZQIHDYBPBVPL-UHFFFAOYSA-N 432.839 4.204 5 20 IIBD COC(=O)c1sc2nc(/C(Cl)=C/c3ccc([N+](=O)[O-])c(OC)c3)nc(O)c2c1C 770567803 XLTBERGGHNFFHN-POHAHGRESA-N 435.845 4.146 5 20 IIBD CC(C)c1cc(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nn1-c1ccccc1 772368110 TZTAAKPKBGSIOM-UHFFFAOYSA-N 433.424 4.311 5 20 IIBD Cc1c(NC(=O)[C@H]2CC(C)C[C@@H]2C(=O)Nc2cccc([N+](=O)[O-])c2C)cccc1[N+](=O)[O-] 775765722 MOZTWHLXQMHBAL-HOTGVXAUSA-N 440.456 4.359 5 20 IIBD CCCNC(=O)Nc1ccc(CC(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])cc1 776140044 YUYUZXVUVGYOHI-HSZRJFAPSA-N 448.479 4.397 5 20 IIBD O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc([N+](=O)[O-])c2nsnc2c1 778239478 YKVAISZUFRBZMP-BRPSZJMVSA-N 442.341 4.239 5 20 IIBD CCOC(=O)[C@@H](NCc1cccc([N+](=O)[O-])c1C)c1ccc(OC)c(Br)c1 779210050 PDIRNURYBGZCFH-SFHVURJKSA-N 437.290 4.068 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)Cc1ccc(Br)c(Cl)c1 787812079 JZWQGRJTCKOLQT-UHFFFAOYSA-N 441.665 4.044 5 20 IIBD COc1ccc(Cl)cc1NC(=O)COc1cc(F)c(Br)cc1[N+](=O)[O-] 790296374 OUBXTENULDZUEH-UHFFFAOYSA-N 433.617 4.176 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)cc1 790653474 KADBJXZGSBZMNV-UHFFFAOYSA-N 429.429 4.355 5 20 IIBD COc1cccc(Nc2nn(CN(C)CCc3ccccc3[N+](=O)[O-])c(=S)s2)c1 795644316 FTSWAOKUYWRHHZ-UHFFFAOYSA-N 431.543 4.466 5 20 IIBD C[C@@H](OC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 796440246 VXAHFLWGCOKWBW-LLVKDONJSA-N 435.820 4.004 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](O)c1cccc(Br)c1 800584122 YTBPAPCZFDDTTE-INIZCTEOSA-N 439.331 4.323 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(I)c1)c1cc(Cl)ccc1[N+](=O)[O-] 801699558 KSODUCALUNDFCQ-UHFFFAOYSA-N 447.572 4.013 5 20 IIBD COc1ccc(OC)c(CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C(C)(C)C)c1 801709039 OIOOJYRYJRMDIT-UHFFFAOYSA-N 431.445 4.270 5 20 IIBD COC(=O)N1CCC(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 803571280 OILNKVRXZGORJT-UHFFFAOYSA-N 447.875 4.249 5 20 IIBD COc1cnc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c(Br)c1 809277034 PWRRYTFHHWSOAO-UHFFFAOYSA-N 435.278 4.004 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(-c2ccc(-n3ccnc3C)nc2)no1 809375175 FFRUXOPJBKXKSA-UHFFFAOYSA-N 441.245 4.272 5 20 IIBD CSc1ccc(NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1Cl 810395775 UUYZSGZZQSMTTJ-UHFFFAOYSA-N 444.694 4.310 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)O[C@H](C)Cn2ccnc2C)cc1[N+](=O)[O-] 810619481 RKECNKTYDCZOGK-CQSZACIVSA-N 439.493 4.298 5 20 IIBD CC(C)[C@H](OC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C(=O)Nc1ccccc1Cl 814482307 SQTSHGKTYIIPOD-SFHVURJKSA-N 437.855 4.273 5 20 IIBD CN(C[C@H]1CCCO[C@H]1c1ccccc1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] 815007382 RDSBVYAOGIUBJA-KUHUBIRLSA-N 442.896 4.176 5 20 IIBD CN(C)C(=O)OC1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 816655959 ZEWWHWVIXYBDHA-UHFFFAOYSA-N 449.511 4.110 5 20 IIBD COc1ccc(CSCC(=O)O[C@H](C)C(=O)Nc2ccc(C)c(C)c2)cc1[N+](=O)[O-] 914799408 AXXNBKFDHTVZRO-OAHLLOKOSA-N 432.498 4.024 5 20 IIBD C[C@@H](OC(=O)CCOc1ccc(F)c(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 915561415 VOPPTOAPZMPHKM-SNVBAGLBSA-N 445.230 4.380 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)N[C@H](c1ccccc1)C1CCCCC1 918903596 PXVSJVCXDFMWSQ-JOCHJYFZSA-N 426.469 4.198 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccc4c(C)cc(=O)oc4c3)cc2)c(C)c1[N+](=O)[O-] 1317735160 QIOUYPPMXNHBSC-UHFFFAOYSA-N 432.436 4.124 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N(Cc1ccc2c(c1)OCO2)c1ccccc1 1318545710 XCUDWWDIECSPQM-UHFFFAOYSA-N 443.415 4.424 5 20 IIBD Cc1ccccc1NS(=O)(=O)c1ccc(-c2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1 1322261818 HIGXHPXQRWUCOF-UHFFFAOYSA-N 436.449 4.421 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 1324347348 BHMAKVLYRMCWAE-IHWFROFDSA-N 427.932 4.493 5 20 IIBD C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(-c2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1 1328073299 VLXRLLWHEQZXLQ-HZPDHXFCSA-N 436.468 4.480 5 20 IIBD Cc1cc(C)n2ncc(C(=O)O[C@@H](c3ccc(Br)cc3)C(C)(C)[N+](=O)[O-])c2n1 1342594438 YENUFDNBMAQULE-INIZCTEOSA-N 447.289 4.062 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccc(C2(NC(=O)c3ccns3)CCC2)cc1 1786206581 UIVZCDFCNVVUQQ-SOFGYWHQSA-N 438.465 4.105 5 20 IIBD CC(F)(F)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1 1790184244 HXRUYEURZCNPPD-UHFFFAOYSA-N 434.443 4.352 5 20 IIBD COc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])[nH]4)cc3)CCC2)c1C 1790188576 WXCLWVZTTJNOMN-UHFFFAOYSA-N 448.479 4.301 5 20 IIBD Cc1csc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)c1 1823610548 JZDAFSVSBPNXQH-INIZCTEOSA-N 431.514 4.105 5 20 IIBD Cc1cc(C(=O)N2CC3(CCCN3C(=O)CCCCCC(C)(C)C)C2)ncc1[N+](=O)[O-] 1846086469 WKICFKZBFAAPGW-UHFFFAOYSA-N 430.549 4.112 5 20 IIBD COc1ccc(Nc2nnc(SCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)s2)cc1 3478366 FMWMMTQSGFTZKM-UHFFFAOYSA-N 435.462 4.068 5 20 IIBD Cc1c(NC(=O)c2cccc(NS(=O)(=O)c3ccc(F)c(F)c3)c2)cccc1[N+](=O)[O-] 15790969 VUIPUAOIYKZSJT-UHFFFAOYSA-N 447.419 4.235 5 20 IIBD CC1CCN(c2ccc(C(=O)O[C@@H](C)C(=O)Nc3c(F)cccc3F)cc2[N+](=O)[O-])CC1 15816550 FDBRQZVKBIBVSQ-AWEZNQCLSA-N 447.438 4.293 5 20 IIBD C[C@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1Br 22467205 MQEYVXFIMBTYCC-VIFPVBQESA-N 427.638 4.195 5 20 IIBD C[C@@H](Sc1nnc(-c2ccccc2F)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 36803476 RLSUEQNOBLRWCI-SNVBAGLBSA-N 435.868 4.302 5 20 IIBD O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)c1ccc(Oc2ccccc2)cc1 60825688 QPVFWBCBOGEICO-UHFFFAOYSA-N 427.416 4.494 5 20 IIBD Cc1ccc(NC(=O)CCc2nc(-c3cc(Br)cs3)no2)cc1[N+](=O)[O-] 64696575 SMBFEYCGXOSTDN-UHFFFAOYSA-N 437.275 4.349 5 20 IIBD Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 71976408 SPYPZBHAJHCTER-KBPBESRZSA-N 440.456 4.182 5 20 IIBD Cc1c(CSc2nnc(N3CCC(C)CC3)n2C[C@@H]2CCCO2)cccc1[N+](=O)[O-] 107757501 ZNYDLIVFNNYUQJ-SFHVURJKSA-N 431.562 4.202 5 20 IIBD C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)c1cccc([N+](=O)[O-])c1 108291395 VGPWXTLXABDRGU-KPZWWZAWSA-N 436.295 4.384 5 20 IIBD COc1cc(CCNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)ccc1O 237383286 JLPHDFPHXOOSRE-UHFFFAOYSA-N 444.491 4.494 5 20 IIBD CCS(=O)(=O)c1ccc(N2CCC(Nc3cc(C)c([N+](=O)[O-])cc3Cl)CC2)cc1 301429780 FTKCCEDLWYDWKH-UHFFFAOYSA-N 437.949 4.431 5 20 IIBD O=C(NCc1ccc(F)cc1)C1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 301887331 QSDTWMAZGNNWJT-UHFFFAOYSA-N 434.471 4.329 5 20 IIBD O=C(Nc1ccc(SCc2cccnc2)cc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 302921708 OQRPVUDCTCPJMO-UHFFFAOYSA-N 432.465 4.115 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCc2ccnc(N3CCCC3)c2)cc1[N+](=O)[O-])c1ccccn1 302970367 HYJPIHDEERAXMN-KRWDZBQOSA-N 446.511 4.088 5 20 IIBD O=C(O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 426826335 DTBLDJOMWFILKA-WOKDVVGWSA-N 435.274 4.206 5 20 IIBD C[C@@H]1CN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](c2cccc(C(F)(F)F)c2)O1 428935968 QIOJQJPSJAMJKY-LPMFXHHGSA-N 437.418 4.403 5 20 IIBD CCN([C@H](c1cccnc1)c1ccc(F)c(F)c1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 431920996 AGMVUGCVQYKKCZ-NRFANRHFSA-N 447.463 4.209 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncc(-c3ccc(F)cc3)s2)c2ncccc12 432350818 FRPBJDWFCZNKQO-UHFFFAOYSA-N 430.442 4.206 5 20 IIBD O=C(N[C@@H](c1ccccc1F)C1CCCC1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 435816780 KVEFTRFJIZNXFB-JOCHJYFZSA-N 439.443 4.049 5 20 IIBD C[C@H]1C[C@@H](C)CN(C[C@H](C)NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 436157994 XXIDJIGJWFSHFV-ZNMIVQPWSA-N 427.495 4.056 5 20 IIBD C[C@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1cccc(N2CCCC2=O)c1 436306293 ICMNYAXWBZQWMW-HNNXBMFYSA-N 443.478 4.438 5 20 IIBD Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)C2)c1 437094059 OXNBHXVGHZVXAT-HXUWFJFHSA-N 435.524 4.255 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccc(OC2CCCC2)nc1 438770878 LPVMOJKUBXIJMT-UHFFFAOYSA-N 432.285 4.419 5 20 IIBD CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)c1 439156804 WTNSELRVCCNTOV-UHFFFAOYSA-N 441.875 4.875 5 20 IIBD O=C(N[C@H]1CCOC2(CCOCC2)C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 441054918 WFNAASNHHPYEGT-INIZCTEOSA-N 428.510 4.204 5 20 IIBD CO[C@@H]1CCN(C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)[C@H](C)C1 441445398 VXRISNWWOIPOAD-GDBMZVCRSA-N 428.510 4.187 5 20 IIBD CCCN(C(=O)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12)c1cccc([N+](=O)[O-])c1 441488725 RDMNEVGSZXFQAG-UGKGYDQZSA-N 443.500 4.068 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F 443958237 COXUDHPTDRLJPC-HNNXBMFYSA-N 440.802 4.153 5 20 IIBD O=C(Cc1csc(-c2ccc(Cl)cc2)n1)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444642079 HHYUNJWRAVGHQE-UHFFFAOYSA-N 427.873 4.107 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 444896412 DJBBBWFPHQCKRU-AWEZNQCLSA-N 441.419 4.204 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCc1nc(-c2cccc(Oc3ccc(Cl)cc3)n2)no1 445238795 XUWYXUFWVVUUIN-UHFFFAOYSA-N 426.820 4.233 5 20 IIBD Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/c1nc(-c2c([N+](=O)[O-])ncn2C)no1 445574685 MNPNZJKFYQTORB-CMDGGOBGSA-N 439.863 4.064 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N(Cc3ncc[nH]3)c3cccc(F)c3)cc2)c(C)c1[N+](=O)[O-] 445956976 NBIUYQVMQYPZDO-UHFFFAOYSA-N 448.458 4.166 5 20 IIBD Cc1nc2nc(Sc3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])nn2c(C)c1C 447680705 SBJVKQMFLQOZQL-UHFFFAOYSA-N 434.350 4.158 5 20 IIBD COc1ccc(CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c2ccncc2)cc1 460363932 RJRHZGOEZYJWNT-UHFFFAOYSA-N 429.436 4.031 5 20 IIBD O=C(NCC1(c2cccc(C(F)(F)F)c2)CCC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 461201980 YUEXJNUKCXNGAY-UHFFFAOYSA-N 445.401 4.046 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1C[C@@H](CO)[C@H](c2ccc(Cl)cc2)C1 461259276 BCAPZJFBDJARRQ-LRDDRELGSA-N 428.794 4.115 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 462420442 FUHMLROJWUMPAD-INIZCTEOSA-N 440.525 4.249 5 20 IIBD O=C(Nc1cccc(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1)c1ccncc1 463185031 NOWUZEBYSUZWMF-UHFFFAOYSA-N 444.369 4.191 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N(Cc1ccco1)c1ccc(Cl)cc1 465127900 HLWUGQQSDVMYDU-UHFFFAOYSA-N 428.828 4.388 5 20 IIBD O=C(NCc1ccc(Br)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465868432 PBYZVWPFKLCHQI-UHFFFAOYSA-N 434.290 4.110 5 20 IIBD CCCc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2OCC)nnn1-c1cccc(Cl)c1 466516916 HUVKQYCRFGFDEU-UHFFFAOYSA-N 429.864 4.432 5 20 IIBD Cc1coc(-c2cccc(NS(=O)(=O)c3ccc(Br)cc3[N+](=O)[O-])c2)n1 467934887 FVJYAJJVUJHTBL-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 471435325 ZYLOFYBDEBWCPJ-SMDDNHRTSA-N 425.279 4.261 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])cc(Cl)c1=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 475904769 WLCUPMFPWJQVCR-OAHLLOKOSA-N 430.675 4.080 5 20 IIBD COCCCC[C@@H](Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccccc1 480546436 GJWJCFFGWBGMGB-HXUWFJFHSA-N 427.501 4.037 5 20 IIBD CCO[C@@H]1C[C@H](O)C12CCN(C(=O)Nc1cccc(Oc3ccc([N+](=O)[O-])cc3)c1)CC2 480746503 BUCNRBFLVDIKMK-LEWJYISDSA-N 441.484 4.171 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@@](C)(CO)Cc2ccccc2)cc1[N+](=O)[O-])c1ccccn1 481127601 QXHWOBNDHPZKLK-BVZFJXPGSA-N 448.523 4.134 5 20 IIBD CCN(Cc1ccccc1Cl)C(=O)[C@@H](CCSC)NC(=O)c1cccc([N+](=O)[O-])c1 482494434 RRCWERKFXUPSCP-LJQANCHMSA-N 449.960 4.148 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC2CCOCC2)c(C)c1 489523172 XNWLZWMOZTYVDO-UHFFFAOYSA-N 446.525 4.452 5 20 IIBD O=c1c(Cl)c(N[C@H]2CCC[C@H]2OCc2ccccc2)cnn1-c1ccc([N+](=O)[O-])cc1 493742159 ZACKEAQPNVWYRY-AZUAARDMSA-N 440.887 4.344 5 20 IIBD CCCCS(=O)(=O)Nc1ccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 494090527 RMZVGFDFMSCTHW-UHFFFAOYSA-N 446.529 4.333 5 20 IIBD O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 498787972 FCNCDDFPBRMKKW-UHFFFAOYSA-N 432.421 4.298 5 20 IIBD O=C(c1ccc(F)cc1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 500707468 CTKBYFUZMXRMRC-UHFFFAOYSA-N 425.485 4.420 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c1C 501806337 JAIHPVPEGHAACO-UHFFFAOYSA-N 431.495 4.326 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3cnc(-c4cccc(O)c4)nc3)cc2[N+](=O)[O-])CC1 503117240 ANLWHHUDVMWBQS-UHFFFAOYSA-N 433.468 4.246 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccc(C)cc1)N1CCOCC1 504076701 OOUNZCUGHFBXNW-OAQYLSRUSA-N 443.569 4.209 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@H]2CCCn3cc(C)nc32)cc1 505904208 NMBVMRVUCNYHTC-MRXNPFEDSA-N 436.468 4.208 5 20 IIBD COc1ccc(CCNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)cc1OC(F)F 507030073 OCMSESRSETXZID-UHFFFAOYSA-N 435.427 4.095 5 20 IIBD CCCOc1ccc([C@H](C)NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1OC 507373798 WNDULJBFECQTJN-HNNXBMFYSA-N 438.484 4.284 5 20 IIBD C[C@@H](c1ccccc1)N(C1CC1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 510533942 NAEWOVVGJIPNIC-LBPRGKRZSA-N 425.304 4.272 5 20 IIBD CC(C)[C@H](C)N(CC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])cc1I 510863924 CGJJVPFTQIULPG-VIFPVBQESA-N 444.191 4.248 5 20 IIBD CCOc1cc(CN2CCC[C@@H]3CCC[C@H]32)ccc1OCCn1c([N+](=O)[O-])cnc1C 511837500 HEMJBVYOEGNHKF-VQTJNVASSA-N 428.533 4.342 5 20 IIBD C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)CSc2ccccc2[N+](=O)[O-])C1 513029193 JCBMOUFBGAEFIN-IYBDPMFKSA-N 427.526 4.444 5 20 IIBD NC(=O)c1ccc(N2CCC(F)(c3ccccc3OC(F)(F)F)CC2)c([N+](=O)[O-])c1 513055882 CMQGPZZQKWTUIY-UHFFFAOYSA-N 427.354 4.058 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1ccn(Cc2ccccc2)c1)c1ccccc1[N+](=O)[O-] 514156421 SHULBGUHQXNWIJ-NRFANRHFSA-N 435.480 4.257 5 20 IIBD CC1CCN(C(=O)c2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)CC1 515873986 JUKGSNOWJMPRAC-UHFFFAOYSA-N 436.512 4.319 5 20 IIBD Cc1cccc(Oc2ncccc2NC(=O)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1C 518132793 QXXDFVAHSWXWTO-MRXNPFEDSA-N 434.452 4.215 5 20 IIBD O=C(NC[C@H](CO)Cc1ccncc1Cl)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 519665931 AAIQXQUUUJGOEI-OAHLLOKOSA-N 441.871 4.017 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1OC1CCOCC1 522004275 NDSDUERZMIDWIG-LBPRGKRZSA-N 438.839 4.351 5 20 IIBD CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)c1 522564104 YJJHXPHHECCELU-PMERELPUSA-N 427.482 4.148 5 20 IIBD COc1cc(C(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)ccc1[N+](=O)[O-] 523384433 ITPBZEKVPDBSEA-UHFFFAOYSA-N 426.450 4.283 5 20 IIBD COc1ccc(-c2ccc(CNC[C@@H]3CC(=O)N(Cc4ccccc4)C3)o2)c([N+](=O)[O-])c1 535368948 RAAPECDNRYTMLJ-SFHVURJKSA-N 435.480 4.002 5 20 IIBD C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 537945104 APJSQYLLJFZVOV-VKIFBMEASA-N 448.926 4.387 5 20 IIBD COc1ccc([C@H](Cc2ccccc2C)NCc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1OC 538177461 WDNOFVHVKOMTOA-NRFANRHFSA-N 449.507 4.093 5 20 IIBD O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccc(Br)cc1[N+](=O)[O-] 539150724 YUQLRJDVLBUOND-GOEBONIOSA-N 443.656 4.410 5 20 IIBD C[C@H](CN(C)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1nccs1 543240465 RBOLUNGOOKJOIK-CHWSQXEVSA-N 431.543 4.237 5 20 IIBD O=C(N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1cc2c(cc1[N+](=O)[O-])OCO2 543734386 YPGFZAKUPLHEMA-CQSZACIVSA-N 436.264 4.376 5 20 IIBD O=C1Nc2ccc(S(=O)(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)c3cccc1c23 543858207 UZHIEXMUGBMNDE-UHFFFAOYSA-N 437.355 4.133 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc(COc2ccc(I)cc2)n1 545689984 DYDKQUKSUCUKAR-UHFFFAOYSA-N 437.193 4.137 5 20 IIBD O=[N+]([O-])c1ccc2c(ccn2Cc2nc(Cc3cc(Br)ccc3F)no2)c1 546285519 XEBFHCQXZVFURE-UHFFFAOYSA-N 431.221 4.473 5 20 IIBD C[C@@H](Nc1ccc(-c2nc(CCCn3ccccc3=O)no2)cc1[N+](=O)[O-])c1ccccn1 547091912 GQEHYFXZZCSKBN-MRXNPFEDSA-N 446.467 4.007 5 20 IIBD CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 550794281 NWPKUKRXMVVENB-APPDUMDISA-N 425.254 4.311 5 20 IIBD CC(C)c1[nH]nc(C(=O)N2C[C@@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] 553380725 KMFLAVLNTVEOMO-RISCZKNCSA-N 426.395 4.062 5 20 IIBD O=[N+]([O-])c1cc(Br)cnc1N[C@@H](c1cncc(Br)c1)C1CC1 553591796 UGRMURSSRBXCCA-CYBMUJFWSA-N 428.084 4.473 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC([C@H]4CCCO4)CC3)n2Cc2cccs2)c1 555439515 GKDNZIVPRSTROQ-HXUWFJFHSA-N 439.541 4.359 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 555836224 LSTJJJJIHYWVDR-UHFFFAOYSA-N 432.274 4.154 5 20 IIBD CC(C)c1[nH]nc(-c2nc(Cc3c(F)ccc(Br)c3F)no2)c1[N+](=O)[O-] 556329062 BPFAMDXTNHSVRK-UHFFFAOYSA-N 428.193 4.123 5 20 IIBD O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1 560217620 KEATZNGQUSYHQG-ZBFHGGJFSA-N 446.301 4.138 5 20 IIBD CC1(C)CN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)[C@H]2CCC[C@@H]21 561642401 WVLMTXGBLDFXHY-PMACEKPBSA-N 443.525 4.046 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCN(Cc2csc([C@H](C)OC)n2)CC1 562110986 UYZDXNIEEYHNIK-HNNXBMFYSA-N 447.561 4.061 5 20 IIBD O=C(N=c1cc[nH]cc1Br)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 566757373 QTCGIGZOIPESJP-UHFFFAOYSA-N 427.258 4.039 5 20 IIBD CC(C)Cn1c(CCCc2cccs2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 566785028 RNNMNLVIPUVWPE-UHFFFAOYSA-N 443.577 4.117 5 20 IIBD O=C(c1ccc(NCc2cccc(OCc3ccccc3)c2)c([N+](=O)[O-])c1)N1CCOCC1 569554547 GXVKTWYPPBRONL-UHFFFAOYSA-N 447.491 4.258 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(Cc3ccccc3Cl)no2)c(I)c1 572390699 UFRNNOYYQNXHLI-UHFFFAOYSA-N 441.612 4.494 5 20 IIBD O=C(NCc1n[nH]cc1Br)c1ccccc1Sc1ccccc1[N+](=O)[O-] 578950900 WIVJNJLCEYIDST-UHFFFAOYSA-N 433.287 4.162 5 20 IIBD COc1cc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)c([N+](=O)[O-])cc1OC 586743115 LRTZIABJIRYUSV-UHFFFAOYSA-N 427.438 4.178 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 586826435 ADDFKOFWKJCSDY-FASAQXTFSA-N 449.429 4.184 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N2CCC(c3noc4cc(F)ccc34)CC2)c([N+](=O)[O-])c1 589278804 RWBXSXDWWUAZFA-CYBMUJFWSA-N 442.447 4.090 5 20 IIBD COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CNc2cccc([N+](=O)[O-])c2)cc1 603471954 SHIJKKMHBMHOHL-QHCPKHFHSA-N 430.464 4.393 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1nc(O)c2c3c(sc2n1)CCCC3 603478348 AGHHDFYETKXQNN-UHFFFAOYSA-N 444.538 4.364 5 20 IIBD COc1ccc(C2(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)CCOCC2)cc1 604568999 FOBSQVFEBURXCY-UHFFFAOYSA-N 439.493 4.163 5 20 IIBD COC(=O)c1ccc2c(O)nc(/C=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)nc2c1 608801269 SNPYNPKCBIABMG-POHAHGRESA-N 447.403 4.469 5 20 IIBD C[C@H]1CCCN(c2ccc(C(=O)N3CCO[C@H](c4ccc(F)c(F)c4)C3)cc2[N+](=O)[O-])C1 608964936 OQQTYTCTRCXSPH-NYHFZMIOSA-N 445.466 4.323 5 20 IIBD CCOC(=O)c1cc(C(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)cc([N+](=O)[O-])c1 609065002 WXPSUMOEEGCUPU-UHFFFAOYSA-N 438.480 4.291 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cccc(C[S@](=O)Cc3ccccc3)c2)c([N+](=O)[O-])c1 609705907 SUCKGMUFXKZAAN-GDLZYMKVSA-N 444.534 4.153 5 20 IIBD O=C(N[C@H]1CCN(c2ccccc2OC(F)F)C1)c1cc2cc([N+](=O)[O-])ccc2s1 609725951 OIKSAEGRMFXAIB-ZDUSSCGKSA-N 433.436 4.420 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cnn(-c2ccc(Br)cc2)c1 610046503 QCVNWZHCHPNHPI-UHFFFAOYSA-N 443.301 4.296 5 20 IIBD CN(C)C(=O)C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c2ccc(Cl)cc21 610177758 ATGCYIWUHOROKA-ZDUSSCGKSA-N 436.295 4.053 5 20 IIBD Cc1c(Br)cc(C(=O)N2C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] 611073068 ZALZTMTWVFCLFV-DTORHVGOSA-N 449.145 4.479 5 20 IIBD C[C@H]1CN(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C[C@H](C)O1 611198967 YDEBRRDEYKJDIT-HOTGVXAUSA-N 435.590 4.247 5 20 IIBD O=C(Nc1ccc(N2CCc3sccc3C2)nc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 611199300 ZGGIPXFDSIJBPY-UHFFFAOYSA-N 446.492 4.052 5 20 IIBD C[C@@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 611474166 YRAYMGMGVBWHOH-VGSWGCGISA-N 434.496 4.064 5 20 IIBD Cc1ccccc1CN1CCC(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 614151475 WRLPEVJOUYTNBM-UHFFFAOYSA-N 439.559 4.244 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1I)c1ccc(F)cc1F 726027327 QAPNGWBPWAXWEC-QMMMGPOBSA-N 433.148 4.396 5 20 IIBD C[C@H](OC(=O)c1csc(-c2c(F)cccc2F)n1)C(=O)Nc1cccc([N+](=O)[O-])c1 726217292 ACCSOPKZBKQUQN-JTQLQIEISA-N 433.392 4.181 5 20 IIBD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)c(N)c([N+](=O)[O-])c1 727900171 PYVSHFJCGMSBAL-MRXNPFEDSA-N 433.464 4.260 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2F)cc1Br 728016906 YJCMXYWCKPEAKA-UHFFFAOYSA-N 443.172 4.316 5 20 IIBD C[C@@H](CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)Sc1ccc(Br)cc1 731653552 BCWJHVUBCWZENR-LBPRGKRZSA-N 449.330 4.004 5 20 IIBD Cc1cc(C)n(CCOC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 731697972 NMJSMKSKJHFQHS-UHFFFAOYSA-N 442.859 4.171 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1SC 733057520 VFBNWBVNXLQQCL-CYBMUJFWSA-N 440.518 4.129 5 20 IIBD CCOc1cc(C(=O)OCCOc2ccccc2Br)c([N+](=O)[O-])cc1OC 734730262 FOYOBFHCCPRRJG-UHFFFAOYSA-N 440.246 4.000 5 20 IIBD CN1CC[C@H](OC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O 734882507 VTVDVUKKZFPPNR-AWEZNQCLSA-N 440.399 4.152 5 20 IIBD O=C(OCc1nnc(-c2ccc(Br)cc2)o1)c1cc(Cl)cc([N+](=O)[O-])c1 736865639 GXMBDUDKNIUQQK-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])cc2)c1 737650466 SOTVWAJKUYOWRZ-UHFFFAOYSA-N 448.403 4.321 5 20 IIBD COC(=O)Cc1ccccc1OC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 740693254 DBYMTXGNWPJFMZ-UHFFFAOYSA-N 444.490 4.446 5 20 IIBD CC(=O)c1ccc(N2CCN([C@H](C)c3ccc(Br)cc3)CC2)c([N+](=O)[O-])c1 742418289 PTZNKEDHZYWNLH-CQSZACIVSA-N 432.318 4.443 5 20 IIBD CCOC(=O)/C=C/c1ccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 743095585 BEOUCLFGDXYLAB-LFYBBSHMSA-N 439.468 4.246 5 20 IIBD O=[N+]([O-])c1ccc2cnn(CN(C[C@H]3CCN(Cc4ccccc4)C3)CC(F)(F)F)c2c1 743406825 ITALESSXVIQWRE-SFHVURJKSA-N 447.461 4.288 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 744285588 JUJKLUKYRUCOTP-QFBILLFUSA-N 433.505 4.045 5 20 IIBD O=C(COC(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)Nc1ccccc1[N+](=O)[O-] 745430866 OBMGMXYHFJRTOI-UHFFFAOYSA-N 430.338 4.475 5 20 IIBD O=C(COC(=O)COc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)ccc1[N+](=O)[O-] 745600766 WDPIUGOWOORBJK-UHFFFAOYSA-N 433.631 4.116 5 20 IIBD COc1cc(NC(=O)C(C)C)c(C(=O)OCc2cc(Cl)ccc2[N+](=O)[O-])cc1OC 746057652 IWWQXUIGIXYXEO-UHFFFAOYSA-N 436.848 4.217 5 20 IIBD COc1ccc(-n2c(SC[C@@H](O)c3cccc([N+](=O)[O-])c3)nnc2-c2ccco2)cc1 749690359 WYIJQOXKBAZEQL-GOSISDBHSA-N 438.465 4.270 5 20 IIBD CC[C@H](C)c1ccccc1OCC(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 750427502 MQDGSWIHPZHIAP-KRWDZBQOSA-N 427.501 4.342 5 20 IIBD O=C(Nc1cccc(COC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1)c1ccccc1 750429574 QIEBKRRKHDNAEA-UHFFFAOYSA-N 442.431 4.390 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(c3ccc(F)cc3)CC2)cc1Br 751991525 TWBTWAKMLQDMMP-UHFFFAOYSA-N 443.294 4.065 5 20 IIBD CC[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](O)c1c(F)cccc1F 752615334 JILWMKLWOMGBNG-FZKQIMNGSA-N 430.860 4.247 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c(F)c1 753430697 FYRPVNQOOACCDT-LLVKDONJSA-N 439.237 4.297 5 20 IIBD Cn1ccnc1[C@H](NC[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 753587993 YCGDDSHYTMOHOE-AUSIDOKSSA-N 443.548 4.045 5 20 IIBD Cc1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c(Br)c1 754979106 BPUHISFMXXPXAQ-UHFFFAOYSA-N 445.628 4.254 5 20 IIBD Cc1ccc(OC2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)CC2)cc1 755010431 CPDCKPCNMLJXBE-UHFFFAOYSA-N 437.265 4.488 5 20 IIBD CCOc1cc(COC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@H](C)CC)ccc1[N+](=O)[O-] 755550129 UVQJHGKOPBBFQU-IERDGZPVSA-N 440.496 4.036 5 20 IIBD O=C(Nc1ccccc1)c1ccc(C(=O)O[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 759446097 RCCYUACNGXSJFH-UXHICEINSA-N 434.452 4.384 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 760541267 BQZOWYKVNJDHSC-QFIPXVFZSA-N 445.472 4.330 5 20 IIBD Cc1cc(C)n(-c2ccc(Cc3noc(-c4ccc(-n5ccnc5)c([N+](=O)[O-])c4)n3)cc2)n1 761419128 NQQJIEZAEOXLDC-UHFFFAOYSA-N 441.451 4.224 5 20 IIBD CC[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC[C@@H]1NC(=O)OC(C)(C)C 762625597 JQJAOVZCMSIQKG-KDOFPFPSSA-N 437.512 4.163 5 20 IIBD O=C(NC1(c2cccc(Br)c2)CCOCC1)c1ccc([N+](=O)[O-])c(Cl)c1 764209403 HOHCIXMPCIUTST-UHFFFAOYSA-N 439.693 4.446 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 764222511 ZTOHQYRSXYBIPI-LLVKDONJSA-N 434.905 4.354 5 20 IIBD Cc1cc(S(=O)(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)cc([N+](=O)[O-])c1F 768272149 MVNQIFILZONWKY-LJAQVGFWSA-N 448.497 4.151 5 20 IIBD CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)N2Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 769628377 WECQGYZUTDMVDL-VCSGRIEYSA-N 441.532 4.326 5 20 IIBD O=[N+]([O-])c1cccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1Br 775209117 QNZYIBLNHQLHBP-UHFFFAOYSA-N 425.182 4.177 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(CSC2CCOCC2)c1 777932698 MJNLLSGPCXKBLR-UHFFFAOYSA-N 440.518 4.255 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1 778807103 WGIIEJGGPUOWRB-ZDUSSCGKSA-N 445.415 4.086 5 20 IIBD O=C1CCCN1CC[C@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)c2ccccc21 780778663 DUZNSPGKXZYSKM-INIZCTEOSA-N 444.329 4.474 5 20 IIBD CC[C@H](C)n1c(-c2ccccc2)nn(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1=S 782859751 DEEJDVPAMPHJDE-INIZCTEOSA-N 441.561 4.451 5 20 IIBD CC(C)NC(=O)c1ccc(NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c([N+](=O)[O-])c1 784566836 OAHVQDUKYQFCDX-UHFFFAOYSA-N 426.351 4.272 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 785817005 YZTQQVLZEKTRPE-UHFFFAOYSA-N 448.455 4.146 5 20 IIBD COc1c([N+](=O)[O-])cc(NCc2ccnc(OC(C)C)c2)c([N+](=O)[O-])c1Br 785833818 AEMATIXQSTZZEH-UHFFFAOYSA-N 441.238 4.068 5 20 IIBD O=C(CCOCC(F)(F)C(F)(F)F)OCc1ccc([N+](=O)[O-])cc1Br 791579154 ANPSZWORVXSQNY-UHFFFAOYSA-N 436.127 4.005 5 20 IIBD O=C(NC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1)OCc1ccccc1 794037705 LJYFJSHPOXQJQB-MRXNPFEDSA-N 431.876 4.027 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)c1csc(CCNC(=O)OC(C)(C)C)n1 795903296 ZURAIBZCTWQQIA-CYBMUJFWSA-N 435.502 4.345 5 20 IIBD CCCc1[nH]nc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1[N+](=O)[O-] 796265846 PEFSYCHCSRGGJN-MRVPVSSYSA-N 448.785 4.127 5 20 IIBD O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 799630312 APPPTXKALZKPPC-GOSISDBHSA-N 441.553 4.119 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3cc(OC)ccc3c2)cc1OC 803455129 FRKXLZIPIAHBOM-UHFFFAOYSA-N 426.425 4.043 5 20 IIBD O=C(NCCc1c[nH]c2ccccc12)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 806283092 DXWNEWAXOOMBAC-UHFFFAOYSA-N 443.301 4.149 5 20 IIBD CC(C)N(CC(=O)N1CCCCCC1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 806366883 FLJMFYBFCNEXEV-UHFFFAOYSA-N 441.326 4.002 5 20 IIBD CC[C@H](C)N[C@H](CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccco1 806367907 SMSOUPVBJJYRGL-SMDDNHRTSA-N 425.283 4.201 5 20 IIBD O=C(C[C@H]1CCCN1S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)c1cccs1 809397513 WPKBFMLYHDEDGN-SNVBAGLBSA-N 449.337 4.389 5 20 IIBD CCN(Cc1ccc(CN(C)C)cc1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 809814447 MCPCTLHLLFUNFO-UHFFFAOYSA-N 446.356 4.174 5 20 IIBD COCCN(CCCOc1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1Cl 809916348 ZZROFNNTCRGHAQ-UHFFFAOYSA-N 425.844 4.337 5 20 IIBD O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(N2CCOCC2)c(F)c1 811217173 RXMXYWAFQGCFTQ-UHFFFAOYSA-N 443.456 4.051 5 20 IIBD O=C(NCCOc1ncc(Cl)cc1Cl)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813061224 UPWXSZJIIDZYDW-UHFFFAOYSA-N 425.055 4.412 5 20 IIBD Cc1cc(-c2noc([C@@H](C)OC(=O)c3cc([N+](=O)[O-])c(N(C)C)cc3F)n2)ccc1F 814484426 FPJGWAFGLAPCEV-LLVKDONJSA-N 432.383 4.215 5 20 IIBD CN(Cc1cc(Br)cs1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] 814991120 SUPULRQSPQQMIV-UHFFFAOYSA-N 443.703 4.032 5 20 IIBD C[C@H](OC(=O)c1ccccc1NC(=O)c1cccs1)C(=O)Nc1cccc([N+](=O)[O-])c1 875256986 OQDOBMMCKMSMIV-ZDUSSCGKSA-N 439.449 4.093 5 20 IIBD Cc1c(NC(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)cccc1[N+](=O)[O-] 913413045 ULYPQWAOEXFWCK-UHFFFAOYSA-N 431.448 4.380 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F 915829489 RYSSVPLDRGRZEE-AWEZNQCLSA-N 439.802 4.093 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 916442780 NOXVDJRGNPAQMJ-UHFFFAOYSA-N 434.832 4.472 5 20 IIBD CN(C[C@@H]1CCCCO1)C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 918684013 IYJNVCNPNJHMHM-HNNXBMFYSA-N 431.876 4.142 5 20 IIBD CC(C)[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)C(=O)NCc1ccco1 919193668 ZOPYTEIMICRSDD-NRFANRHFSA-N 438.436 4.478 5 20 IIBD O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)c1cc(Cl)ccc1[N+](=O)[O-] 919996703 ZKSQWUJXSVBFEU-GFCCVEGCSA-N 438.709 4.267 5 20 IIBD COC[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 920887996 PKWBJCCUCPUMHE-SFHVURJKSA-N 425.529 4.066 5 20 IIBD Cc1ccc(CN(Cc2ccco2)C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)s1 921006803 APOHCQSLFKFRFN-UHFFFAOYSA-N 441.509 4.237 5 20 IIBD O=C(c1cccs1)C1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 1319449748 JHHSEOKPNLQMJM-UHFFFAOYSA-N 449.337 4.247 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(CCc3ccc4c(c3)CCO4)n2)c(Br)c1 1320209362 IUXQWSQFRCEYNE-UHFFFAOYSA-N 430.258 4.051 5 20 IIBD O=C(COC(=O)c1nc(-c2ccc(F)cc2)n2c1CCCCC2)c1cccc([N+](=O)[O-])c1 1327396447 KQATVZFFTFEUDG-UHFFFAOYSA-N 437.427 4.364 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)NC1(c2ccc(NC(=O)[C@@H]3CC3(F)F)cc2)CCC1 1789137281 ZCMRVCDVTFQLFO-HNNXBMFYSA-N 447.413 4.445 5 20 IIBD C/C=C(\C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc([N+](=O)[O-])cc3F)CCC2)cc1 1791220350 NGDHUYMTLWNGBM-CRKCGEKBSA-N 425.460 4.377 5 20 IIBD CC(C)c1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2cccc([N+](=O)[O-])c2)cc1 1792477427 OOFQLVOVSATBQU-NUNAXRQHSA-N 449.551 4.142 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(Cl)c(F)c1 1800532575 XASBCLLNIOFEPH-BTTYYORXSA-N 449.841 4.092 5 20 IIBD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(C)n1CC(F)(F)F 16406092 PIBPHYGQJRFOKA-LLVKDONJSA-N 447.797 4.413 5 20 IIBD O=C(COc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1)NCc1ccc(F)cc1 21283783 IVSSCFMNOHUOPK-UHFFFAOYSA-N 448.406 4.203 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](NCc1ccc2c(c1)OCO2)c1ccccc1 21818174 KEJBIFHQBIGXRP-NRFANRHFSA-N 439.855 4.447 5 20 IIBD CCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nc2cc3ccccc3cc2c1=O 22177927 XROOTZDPTHEQAD-UHFFFAOYSA-N 446.532 4.259 5 20 IIBD CCCCc1ccc(-n2nnnc2SCCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 26364262 SUDUOOONLSLDRP-UHFFFAOYSA-N 426.502 4.034 5 20 IIBD Cc1ccc(NC(=O)C[C@@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)cc1[N+](=O)[O-] 36741839 IULCKENDCXKQPU-HXUWFJFHSA-N 434.452 4.434 5 20 IIBD O=C(Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1)c1ccccc1[N+](=O)[O-] 46667925 IKOULSPKKIORLD-UHFFFAOYSA-N 430.508 4.165 5 20 IIBD O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)c1ccc(Cl)cc1[N+](=O)[O-] 60401336 AGISHFLQSFEYAO-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD COc1ccc(NC(=O)CCN2CCC(C(=O)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 60482673 ILAPREUDZJRLJJ-UHFFFAOYSA-N 445.903 4.180 5 20 IIBD O=C(NCc1ccccc1CN1CCCC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 61138502 GNHVAQOSTUMZPZ-UHFFFAOYSA-N 437.418 4.062 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCc3[nH]c4c(Br)cccc4c3C2)c1 62284764 KPYRXUWQERNRLZ-UHFFFAOYSA-N 430.258 4.046 5 20 IIBD COc1cc(CCNC(=O)N[C@@H](C)CC(C)(C)c2ccccc2)c([N+](=O)[O-])cc1OC 195707916 OWBCIFMIZBIEMB-INIZCTEOSA-N 429.517 4.210 5 20 IIBD O=[N+]([O-])c1ccc(NCCCSc2ccc(F)cc2)c(S(=O)(=O)N2CCCC2)c1 301317093 YHVNSTZBENWYBZ-UHFFFAOYSA-N 439.534 4.113 5 20 IIBD CN(CC(=O)Nc1ccccc1Br)c1ccc([N+](=O)[O-])c(OC(F)F)c1 301564649 VFWSDSDLIUMHLL-UHFFFAOYSA-N 430.205 4.034 5 20 IIBD Cn1c(Sc2ncc(Br)cc2[N+](=O)[O-])nnc1-c1ccccc1Cl 301709202 WUGFWHDIZKNWBL-UHFFFAOYSA-N 426.683 4.352 5 20 IIBD O=C(Nc1cc(Cl)ccc1O)C1CCN(c2ccc([N+](=O)[O-])cc2OC(F)F)CC1 302170437 UGEZVMJITKXRJT-UHFFFAOYSA-N 441.818 4.410 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCN(CCC(C)(C)C)CC2)cc1[N+](=O)[O-])c1ccccn1 303004790 LMDHQHUTIOXQCW-GOSISDBHSA-N 439.560 4.357 5 20 IIBD CS(=O)(=O)c1ccc(N2CCC(c3ccc(Br)cc3)CC2)c([N+](=O)[O-])c1 409650189 SXKZKFVUGQGKAH-UHFFFAOYSA-N 439.331 4.145 5 20 IIBD COCCn1cc(CNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])cn1 410265154 MKBQAWOTTAJWKA-UHFFFAOYSA-N 446.916 4.172 5 20 IIBD CCN(C[C@@H](O)C(F)(F)F)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 428510741 QVARIEMUGDLVAZ-QGZVFWFLSA-N 445.825 4.246 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C 428777313 ICYBHNSJFVZDFI-KUHUBIRLSA-N 437.418 4.323 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 432510830 RLQNJSAFADDZHE-UHFFFAOYSA-N 429.542 4.132 5 20 IIBD CS(=O)(=O)c1cc(C(=O)N[C@H](c2cccc(Cl)c2)C2CCCC2)cc([N+](=O)[O-])c1 434314589 GTDSWWOOFIPZLB-IBGZPJMESA-N 436.917 4.313 5 20 IIBD CO[C@H](C)c1nc(CNC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cs1 438989378 ZANUXDHALLJLRU-QLFBSQMISA-N 432.546 4.171 5 20 IIBD CC[C@@](C)(NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)c1nc(C)cs1 439232556 XNGQNZLFCPEBPQ-OAHLLOKOSA-N 448.364 4.034 5 20 IIBD COc1cc(C(=O)N2CCOCC23CCC3)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 439627727 GRVQYRUAMDZCMB-UHFFFAOYSA-N 432.860 4.444 5 20 IIBD O=C(NCC1CC1)[C@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 441844720 QNCAZNXVWTUDTG-KRWDZBQOSA-N 439.537 4.124 5 20 IIBD O=C(Nc1cc2c(cc1Br)CCC2)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 443861230 QWAQUFIBJOMZQF-UHFFFAOYSA-N 427.258 4.284 5 20 IIBD COC(=O)C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccc(C(F)(F)F)cc1 444917261 DLVGZMKECHIVDI-OAHLLOKOSA-N 441.362 4.048 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3nc(C4CCSCC4)no3)cc2)c1 445569391 VBAGARCJURSLMD-UHFFFAOYSA-N 446.510 4.056 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2cnc(OCC(F)(F)F)cn2)no1 445798704 JRHVYPXGBACHMM-VIFPVBQESA-N 427.364 4.229 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N[C@@H](C)[C@@H](O)Cc2ccccc2)c([N+](=O)[O-])c1 446874490 VZDGFZSEOFQWOL-HJPURHCSSA-N 448.475 4.016 5 20 IIBD O=C(Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 461216743 LGWKNZLQABQSBQ-UHFFFAOYSA-N 442.357 4.237 5 20 IIBD C[C@@H]1C[C@@H](c2ccccc2F)N(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 462593662 PZOVZWZIXRLSFD-DIFFPNOSSA-N 443.294 4.268 5 20 IIBD C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464781365 YSKIGICJSLASGO-OXJNMPFZSA-N 429.542 4.252 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NCc2cc(Cl)ccc2OC(F)F)c([N+](=O)[O-])c1 466654295 HXYVNLLDZGMWQC-UHFFFAOYSA-N 436.802 4.426 5 20 IIBD C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 466894935 XAEYBJOKJSHHJB-KBAYOESNSA-N 427.526 4.056 5 20 IIBD Cc1sc(NC(=O)c2cn(Cc3cccc(F)c3)nn2)nc1-c1cccc([N+](=O)[O-])c1 468856432 GKPJFVMILCENBC-UHFFFAOYSA-N 438.444 4.058 5 20 IIBD COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 470384780 YQDILXQYGKTDRD-ZDUSSCGKSA-N 430.848 4.100 5 20 IIBD COC(=O)COc1ccc(CN2CCC(c3c[nH]c4cc(F)ccc34)CC2)cc1[N+](=O)[O-] 475714969 KLRJDCKEPSBPIY-UHFFFAOYSA-N 441.459 4.147 5 20 IIBD Cc1nc(NS(=O)(=O)c2cc(Br)c(Cl)cc2Cl)ccc1[N+](=O)[O-] 476186852 BFVABUAQKUICIE-UHFFFAOYSA-N 441.090 4.168 5 20 IIBD C[C@H](C(=O)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1)c1ccc2ccccc2c1 478078943 HWIMYCBOBRDAED-KRWDZBQOSA-N 443.507 4.467 5 20 IIBD CCc1cc(Br)ccc1NC(=O)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 478952279 LCDNZAAAUGCTNC-GFCCVEGCSA-N 434.290 4.044 5 20 IIBD O=C(Nc1cncc(Cl)c1Cl)c1ccc([N+](=O)[O-])cc1I 480831039 PGZQWGDTDULFRY-UHFFFAOYSA-N 438.008 4.154 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc1SC 481901657 QNWZFTWUQXIDHN-HXUWFJFHSA-N 432.498 4.224 5 20 IIBD O=C(c1sc(C2CC2)nc1-c1ccccc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 482223674 OSJMYZXSQOTRST-MRXNPFEDSA-N 435.509 4.317 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)c1 483014646 WMLMCEVIPUWHHD-UHFFFAOYSA-N 432.498 4.103 5 20 IIBD CSc1cccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C)cc2C)c1[N+](=O)[O-] 486245807 YFXBHZIQCXUVHF-INIZCTEOSA-N 431.539 4.087 5 20 IIBD CSc1cccc(C(=O)NC2(c3noc([C@@H]4CCOC4)n3)CCCCCC2)c1[N+](=O)[O-] 486410182 RJTUINJRPSSVEY-CQSZACIVSA-N 446.529 4.183 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CN(CC(=O)Nc1ccc(Cl)cc1)Cc1cccnc1 488771705 VCRFICJTEPRAQT-UHFFFAOYSA-N 440.887 4.293 5 20 IIBD CCCN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ccccc1C 490033988 NOWIYTWKGNYICV-OAHLLOKOSA-N 432.908 4.234 5 20 IIBD COc1c(F)cc(S(=O)(=O)N(Cc2cccs2)Cc2cccs2)cc1[N+](=O)[O-] 491236955 PQKZPILIWBDNFB-UHFFFAOYSA-N 442.515 4.257 5 20 IIBD COc1c(C)cnc(CN2CCC(N(C)C(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)c1C 497883216 ZPFDCYKPCASHDA-UHFFFAOYSA-N 446.935 4.005 5 20 IIBD O=C(NCCC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1 498149339 IJZZVTXHOVCREH-QHCPKHFHSA-N 435.505 4.142 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCc1ccc(OC(F)(F)F)cc1 499991035 PVOLJHKACBZVKV-UHFFFAOYSA-N 440.421 4.412 5 20 IIBD COc1cc(OCC(=O)Nc2ccc(F)cc2OCCC(F)(F)F)ccc1[N+](=O)[O-] 500243886 DGDKOUHGVHDHCC-UHFFFAOYSA-N 432.326 4.091 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N(C)c2ccc(Br)cc2F)cc1OC 501555225 IMOZAJCXMNQGCR-UHFFFAOYSA-N 427.226 4.180 5 20 IIBD O=[N+]([O-])c1cc(CN(C2CC2)[C@H]2CCS(=O)(=O)C2)ccc1Oc1ccccc1Cl 507299037 LKBJFARAXQUSNK-INIZCTEOSA-N 436.917 4.192 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 508405600 XECKNKLAFJPUEU-MJGOQNOKSA-N 449.429 4.186 5 20 IIBD CCN(C(=O)c1cc([N+](=O)[O-])cc(I)c1C)c1ccc(F)c(F)c1 509089151 IYGHRWVLLMUOBK-UHFFFAOYSA-N 446.191 4.453 5 20 IIBD CCOc1ccccc1N(C)C(=O)c1cc([N+](=O)[O-])cc(I)c1C 509281841 LJESSEFNWHJGAC-UHFFFAOYSA-N 440.237 4.183 5 20 IIBD O=C(Nc1nc(-c2c(F)cccc2F)cs1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 509395147 VRSYWMNZLZXMCR-UHFFFAOYSA-N 427.392 4.435 5 20 IIBD CCS[C@@H](C)c1noc(CN(C)C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)n1 510022761 GRDYCZHSZUKSCL-JTQLQIEISA-N 443.323 4.135 5 20 IIBD Cc1c(Br)cc(C(=O)N(C)CC(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] 510024243 TWEGKYSZPXNLKW-UHFFFAOYSA-N 440.681 4.030 5 20 IIBD CC(C)(C)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2I)cc1 510785585 VNDMXEQIYDONDH-UHFFFAOYSA-N 438.265 4.427 5 20 IIBD COc1cc(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)ccc1NC(C)=O 511011918 INFAEVULWYTQRV-JTQLQIEISA-N 440.378 4.020 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 511180715 BRJTWJZSFKGSPB-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 512538566 IWLGRDBHHAVHEU-HOTGVXAUSA-N 427.526 4.444 5 20 IIBD Cc1ccccc1COc1cccc(NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c1 513475584 KFUVVAPCALRVIC-UHFFFAOYSA-N 440.477 4.138 5 20 IIBD C[C@@H](NC(=O)c1ccccc1OCC(=O)Nc1ccccc1F)c1cccc([N+](=O)[O-])c1 515682407 MPJIHNHMDUNAPO-OAHLLOKOSA-N 437.427 4.242 5 20 IIBD C[C@@H](NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 516523610 QYWPUYCTXIZHLI-OAHLLOKOSA-N 437.525 4.082 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)c1 516778135 XRHWDDHVCUATMP-XMMPIXPASA-N 448.475 4.409 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 517134516 PUXFCIMZVDSVRW-UHFFFAOYSA-N 441.793 4.397 5 20 IIBD CC(C)c1cc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n[nH]1 518676043 DRTMWNRMOLRKON-UHFFFAOYSA-N 425.411 4.315 5 20 IIBD CCN1CCN(c2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])c(C)c2)CC1 518830528 QCHHHXWTSNGRQJ-INIZCTEOSA-N 446.935 4.105 5 20 IIBD Cc1ccc(-c2ccc(C(=O)N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)c(F)c2)cc1C 519926368 XMAJUHYNNYABEM-UHFFFAOYSA-N 434.471 4.375 5 20 IIBD CC(=O)NC[C@H]1CCCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 520774634 OWYPCIRGPHVACT-QGZVFWFLSA-N 427.526 4.043 5 20 IIBD O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 522883515 HPRCTDMIYLIHQH-MRXNPFEDSA-N 427.810 4.271 5 20 IIBD O=C(Nc1ccn(CCc2ccncc2)n1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 522895240 XBEBZFTXJXPOEB-UHFFFAOYSA-N 442.479 4.293 5 20 IIBD CSCC[C@@H](C)N(C)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 522915654 RAEIPBHUZLRKTQ-CYBMUJFWSA-N 433.496 4.430 5 20 IIBD Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c1C(=O)N1CCCC1 523501404 ZXJNJSQHMJYEIG-UHFFFAOYSA-N 432.274 4.154 5 20 IIBD C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 524867120 QXWBEASEYFONQL-KRWDZBQOSA-N 436.537 4.455 5 20 IIBD CC(C)(C)NC(=O)CN1CCC(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 531430273 VYXXAYPZAAZBLF-UHFFFAOYSA-N 444.601 4.040 5 20 IIBD COCCC(=O)N1CCC(NCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 532628816 PTLWBPGHECNHCD-UHFFFAOYSA-N 447.919 4.158 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1cccc(NC(=O)c2ccccc2)c1 533658245 MSFJRQPPCYZRSA-UHFFFAOYSA-N 428.448 4.118 5 20 IIBD O=C(Nc1ccccc1)c1ccc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cc1 534026767 WECKBYDPXJRYAQ-UHFFFAOYSA-N 427.420 4.490 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCCc1nc2c(s1)CCCC2 534302795 CFEVGZPBBXNZML-UHFFFAOYSA-N 445.488 4.400 5 20 IIBD C[C@H](c1ccc(F)cc1F)N1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 534856013 AUEQCSGLKRGFKF-OAHLLOKOSA-N 428.439 4.407 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C3)cs1 536684191 NMLUYAJNTPDUTK-UHFFFAOYSA-N 435.552 4.144 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 536938285 FQRUECYXXHYAJF-KXBFYZLASA-N 443.258 4.456 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(CN2CCCC2=O)cc1 537134183 UIEICLFMYDLFRU-UHFFFAOYSA-N 427.526 4.148 5 20 IIBD COc1cccc(NC(=O)COc2ccc(C(=O)Nc3ccc([N+](=O)[O-])c(C)c3)cc2)c1 537448764 GJJUTNZTAVICFF-UHFFFAOYSA-N 435.436 4.182 5 20 IIBD O=C(CN(Cc1cccnc1)C(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1 540039844 ASDPMCGNCRZDJM-UHFFFAOYSA-N 439.859 4.316 5 20 IIBD CCOc1cc(CNc2cc(F)ccc2F)ccc1OCCn1c([N+](=O)[O-])cnc1C 540689150 TWEZCFPTAUPLJP-UHFFFAOYSA-N 432.427 4.468 5 20 IIBD Cc1cc(C(=O)NCC(=O)N2C[C@H](C)C[C@@H]2c2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] 541148321 WUDJKEQMGSPQLR-BFUOFWGJSA-N 449.429 4.262 5 20 IIBD CCn1c(Sc2ncc([N+](=O)[O-])c(C)c2Br)nc2ccc(F)cc2c1=O 541578612 VMIWBUWVQXFGFM-UHFFFAOYSA-N 439.266 4.081 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 542081689 ZQFMFJWGYRVQHD-HXUWFJFHSA-N 439.855 4.101 5 20 IIBD CCOc1ccc(C2(CNC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)CCOCC2)cc1 542539194 HKEPHZFVIGXSNJ-MRXNPFEDSA-N 430.476 4.101 5 20 IIBD C[C@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccc(Cl)c2ccccc12 545204976 KFZQBGUOPKVHRO-HNNXBMFYSA-N 439.903 4.389 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2ccc(F)cc2I)n1 546395439 WATNIWCCTHASLX-UHFFFAOYSA-N 425.157 4.364 5 20 IIBD CC(C)(C)OCc1cccc(CNC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 551417177 ULIBDUANWFGARZ-UHFFFAOYSA-N 441.528 4.462 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCOc3cc(O)ccc3C2)cc1 553159365 RVIUNULYXIUVKK-UHFFFAOYSA-N 436.420 4.136 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCCc1nc(-c2ccccn2)cs1 554775521 KGKCPKMMCSXQMB-UHFFFAOYSA-N 434.930 4.218 5 20 IIBD CC(C)S(=O)(=O)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 555635126 YUVSAAOIAVXCAV-UHFFFAOYSA-N 430.404 4.189 5 20 IIBD COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 556609057 PHDZXAZRUMVQOW-YWZLYKJASA-N 425.510 4.228 5 20 IIBD CCCN(C)[C@@H](CNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 557061780 IHPFHEOIZCOSQQ-SFHVURJKSA-N 435.908 4.078 5 20 IIBD CSc1cccc(C(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-] 557897666 YDMBFOPXBHJWAT-UHFFFAOYSA-N 428.297 4.382 5 20 IIBD COc1ccc2c(c1)CCC[C@H]2N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br 558065896 YFIHECGTEYINNO-LJQANCHMSA-N 448.317 4.314 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(C(=O)NCc3ccc(C)cc3)c2)c1 574782583 GERFZWFTMVYSAE-UHFFFAOYSA-N 447.491 4.162 5 20 IIBD CN(C(=O)CN1CCc2nc(-c3ccccc3Cl)sc2C1)c1ccc([N+](=O)[O-])cc1 575901285 GERGMFNYLMUJDX-UHFFFAOYSA-N 442.928 4.393 5 20 IIBD C[C@@H]1CN(Cc2cc(I)cc([N+](=O)[O-])c2)C[C@H](c2ccsc2)O1 577920362 NUUGOCHVROLUSW-BDJLRTHQSA-N 444.294 4.223 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ncc(-c3ccc(Cl)cc3)s2)cc1[N+](=O)[O-] 579217382 MFXOIZOWVYBUDA-UHFFFAOYSA-N 425.875 4.181 5 20 IIBD COc1cc(C)c(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c(C)c1C 588852248 HODYPQCGNMAPAG-UHFFFAOYSA-N 429.292 4.092 5 20 IIBD Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N(C)c1ccc([N+](=O)[O-])nc1 588983057 OJUGQKNZAJHEQD-UHFFFAOYSA-N 434.283 4.305 5 20 IIBD O=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 603827251 BWFFLGWUWMWLOJ-UHFFFAOYSA-N 428.452 4.157 5 20 IIBD Cc1cc(CN(C)c2cc3ncnc(O)c3cc2[N+](=O)[O-])cc(C)c1OCC(F)(F)F 603933308 CKZYOKAIRNNGFH-UHFFFAOYSA-N 436.390 4.438 5 20 IIBD O=C(Nc1cccc(-c2n[nH]c3c2CCCC3)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 604240720 RHONBMGASGCURP-UHFFFAOYSA-N 428.452 4.302 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2ccncc2)c(Cl)c1 608887231 RILXQCWTCBDPSI-UHFFFAOYSA-N 431.901 4.077 5 20 IIBD COCCOc1ccc(F)cc1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 608980563 DLAPHGZYPNITDV-LLVKDONJSA-N 445.369 4.217 5 20 IIBD O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609490741 ZHBLIRBDQCOPHH-UHFFFAOYSA-N 434.383 4.105 5 20 IIBD CN(Cc1cccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1)Cc1cscn1 609507774 SIIJKBWZBSPJKC-UHFFFAOYSA-N 448.508 4.121 5 20 IIBD C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 609509265 MLXQVAWARRNSGE-KSFYIVLOSA-N 443.931 4.453 5 20 IIBD CN(Cc1ccccc1Br)C(=O)CCNc1ccc2cc([N+](=O)[O-])ccc2n1 609513025 GUKCNDAZLZDIRP-UHFFFAOYSA-N 443.301 4.366 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2ccnc(O[C@H](C)CC(C)C)c2)cc1SC 609528506 LQKBJDZBDXLYQP-CQSZACIVSA-N 433.530 4.464 5 20 IIBD Cc1ccc(-c2csc(Cc3noc([C@H](C)NC(=O)c4cccc([N+](=O)[O-])c4)n3)n2)cc1 609722004 RGZBLSZACPGGDA-AWEZNQCLSA-N 449.492 4.492 5 20 IIBD Cc1c(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(F)cc1F 610235056 PRRPTVINAUZUBY-HXUWFJFHSA-N 430.436 4.255 5 20 IIBD CN1C(=O)COc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3SC3CCCC3)cc21 611206450 UMNPSVBASHZTJM-UHFFFAOYSA-N 427.482 4.237 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1F)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 618964900 MLSYSQFAFARCMK-SECBINFHSA-N 443.378 4.219 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@H]1CCc2ccc(Cl)cc21 727963463 SRCLTGUWYLOYLA-MOPGFXCFSA-N 448.928 4.330 5 20 IIBD CC(C)COC(=O)N1CCC(C(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 728164919 CKYSICANEDXPHR-UHFFFAOYSA-N 437.924 4.496 5 20 IIBD Cn1cccc1C(=O)N1CCCC[C@@H]1CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 729197504 WLRQRLGFSHUQIT-MRXNPFEDSA-N 441.509 4.390 5 20 IIBD CCN1C(=O)N[C@H](c2cc([N+](=O)[O-])c(F)cc2F)C(C(=O)Nc2ccc(F)cc2)=C1C 731425026 WHVIJPKIAUAVKH-GOSISDBHSA-N 434.374 4.011 5 20 IIBD O=C(COC(=O)c1cc(F)cc([N+](=O)[O-])c1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 731528923 RBAQUMRRHSTJJV-OAQYLSRUSA-N 442.830 4.450 5 20 IIBD O=C(Nc1ccccc1C(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 731651333 FHXKITPPMRQNAP-UHFFFAOYSA-N 439.855 4.309 5 20 IIBD Cc1ccc(C(=O)N(C)c2ccccc2C(=O)N(C)CCc2ccccc2)cc1[N+](=O)[O-] 731883407 ZFVFLXZLKLJWKV-UHFFFAOYSA-N 431.492 4.495 5 20 IIBD CCS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2ccc(OC)c([N+](=O)[O-])c2)c1Cl 732370574 VLWIZYCKXVPPFK-UHFFFAOYSA-N 448.280 4.061 5 20 IIBD COc1ccc([C@@H](OC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)[C@@H](C)n2cccn2)cc1 734084387 QNTBESBIAJMWTO-ZHRRBRCNSA-N 447.451 4.145 5 20 IIBD Cc1ccc(-c2noc([C@H](C)OC(=O)c3cc(O)nc4ccc([N+](=O)[O-])cc34)n2)cc1F 735355878 WNRFOQLMSPCQKJ-NSHDSACASA-N 438.371 4.264 5 20 IIBD O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc(Cl)c2c(c1)OCCCO2 735445023 DNVUMZCPBNBYJO-UHFFFAOYSA-N 430.800 4.422 5 20 IIBD Cc1ccc(NCCCNC(=O)c2ccsc2NC(=O)c2ccco2)c([N+](=O)[O-])c1 739811686 CMIAWKPTCRHZED-UHFFFAOYSA-N 428.470 4.042 5 20 IIBD C[C@@H](NC(=O)COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 740391986 PGKYLEHBHYMOAI-CYBMUJFWSA-N 449.301 4.056 5 20 IIBD COc1cc(COC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])ccc1C 741126976 FWTCLTZYJUPAIH-UHFFFAOYSA-N 444.465 4.313 5 20 IIBD Cn1c(C(=O)OCc2nc3ccccc3c3ccccc23)cc2c(=O)n3ccccc3nc21 742325110 HFVXDJHAQCYMIF-UHFFFAOYSA-N 434.455 4.245 5 20 IIBD Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 743121887 MPTBJAYWYCFWQS-MRXNPFEDSA-N 436.468 4.396 5 20 IIBD Cc1ccc2cccc(OS(=O)(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)c2n1 743338568 HEFBSKDWIXBVKP-UHFFFAOYSA-N 437.271 4.290 5 20 IIBD COc1ccc(C[C@@H]2CCCN(C(=O)c3ccc(Br)c([N+](=O)[O-])c3)C2)cc1 743824543 OURXDDHLDQMHCV-HNNXBMFYSA-N 433.302 4.461 5 20 IIBD CC(C)(Cc1ccc(Cl)cc1Cl)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 746648283 NAZBITPHLIQLDG-UHFFFAOYSA-N 425.268 4.230 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1ccc(Br)cc1 747126257 UYSGROLKYTWAFS-UHFFFAOYSA-N 447.163 4.172 5 20 IIBD Cc1c(C(=O)NCc2ccc(CN3CCC(C)CC3)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748706423 ROYWSNXJDUUOOL-UHFFFAOYSA-N 440.500 4.282 5 20 IIBD C[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)c1ccccc1[N+](=O)[O-] 749052321 BOFQLWGKVGRXOD-OLZOCXBDSA-N 433.258 4.015 5 20 IIBD C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 750101916 MKIRHTQTVOFFLX-CYBMUJFWSA-N 439.449 4.093 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)c1cccc(Cl)c1[N+](=O)[O-] 750539401 CWXLXVGRCJSGQC-JTQLQIEISA-N 427.240 4.403 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)OCc2c(C)nn(-c3ccccc3)c2C)cc1OC 750778276 TWUVZIBTTDGKKU-UHFFFAOYSA-N 425.441 4.162 5 20 IIBD O=C(COC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(F)cc1Cl 751642837 FSAZQOYVVNOLIB-UHFFFAOYSA-N 433.244 4.315 5 20 IIBD Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)c2c(F)ccc([N+](=O)[O-])c2F)o1 752568319 ZMOOSHUMPANKHU-UHFFFAOYSA-N 442.334 4.243 5 20 IIBD Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 753045447 FFWUNSYNZWOYFM-LPHOPBHVSA-N 444.329 4.422 5 20 IIBD COc1cccc([C@H](C)CC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 753534526 MEZZNYUDTKCSGP-GFCCVEGCSA-N 440.374 4.298 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)OCC3CCS(=O)(=O)CC3)cc2[N+](=O)[O-])cc1 753586708 KADIWBSFBQJORB-UHFFFAOYSA-N 435.523 4.036 5 20 IIBD Cc1cc(F)c(C(=O)COC(=O)c2cc([N+](=O)[O-])c(Br)cc2F)cc1F 754112013 AVRTWSCYQOZWIJ-UHFFFAOYSA-N 432.148 4.123 5 20 IIBD C[C@@H](C(=O)Oc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1)c1ccc([N+](=O)[O-])cc1F 754239754 ZZDGGIUTFLIMEA-XIKOKIGWSA-N 427.388 4.345 5 20 IIBD Cc1ccc(NC(=O)[C@@H](N[C@@H](CCO)c2cccs2)c2ccccc2)c([N+](=O)[O-])c1 754381595 CWFVHHBCUCFSCT-RXVVDRJESA-N 425.510 4.358 5 20 IIBD O=C(c1ccc(I)c([N+](=O)[O-])c1)N1CCc2c(Cl)cccc21 757440855 ZSFZSXLAVQITMA-UHFFFAOYSA-N 428.613 4.056 5 20 IIBD O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc(N2CCCC2=O)ccc1Cl 760468846 BPFHYUARUPNQGX-UHFFFAOYSA-N 441.827 4.387 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 763813994 ISTCENKJULWTMS-LBPRGKRZSA-N 433.442 4.107 5 20 IIBD O=C(Oc1cc([N+](=O)[O-])ccc1I)C1CCC(C(F)(F)F)CC1 766938165 JOSJFADFDAOJES-UHFFFAOYSA-N 443.159 4.474 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 767874980 GSPCPSBEHGMFMO-OAHLLOKOSA-N 435.402 4.401 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 769119748 DVBDKMWYVNTBQB-AWEZNQCLSA-N 428.327 4.094 5 20 IIBD C[C@@](O)(c1ccc(OC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1)C(F)(F)F 772994846 CBTKKXKZULRIOU-OAHLLOKOSA-N 434.164 4.346 5 20 IIBD O=C(NCc1cnn(-c2ccc(Br)cc2)c1)c1cc([N+](=O)[O-])ccc1Cl 773170801 PYFGWIMFAWZRPI-UHFFFAOYSA-N 435.665 4.126 5 20 IIBD O=C(Cc1cc(Cl)c2c(c1)OCCO2)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776131957 BWYNCBYZHHJTLI-OAQYLSRUSA-N 440.839 4.290 5 20 IIBD O=[N+]([O-])c1ccc(F)cc1OS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 777846179 ZRXVSWPFKPQICV-CQSZACIVSA-N 445.852 4.103 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Cl)C1CCN(C(=O)/C=C/c2ccccc2)CC1 778095070 KNABGDMWLIHZFD-RMKNXTFCSA-N 428.872 4.243 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NC(=O)c1ccc(O)c([N+](=O)[O-])c1 779354541 BBNMEIASTVMNQZ-QGZVFWFLSA-N 427.457 4.455 5 20 IIBD COc1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C(F)(F)F)cc1 780302693 PQGPYEKTBBUZNL-INIZCTEOSA-N 427.335 4.162 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCC[C@H]1COc1ccc(Cl)cc1 781939349 DTASVGWXFBSKMD-KRWDZBQOSA-N 433.848 4.159 5 20 IIBD O=C(Nc1cccc(CSC2CCOCC2)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 784943602 YPRSDZVJZUTBCU-UHFFFAOYSA-N 449.916 4.238 5 20 IIBD C[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H](O)c1c(F)cccc1Cl 787340162 YMUHVNNCCSRIQV-XXFAHNHDSA-N 449.788 4.327 5 20 IIBD O=[N+]([O-])c1cc(CSc2nnc(O)n2CCc2ccccc2)ccc1Br 788100613 VFMJFBQIYKNWRH-UHFFFAOYSA-N 435.303 4.189 5 20 IIBD CCn1nccc1CCOC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 788395107 MZAVIUFQYSJAKW-UHFFFAOYSA-N 439.493 4.164 5 20 IIBD COc1ccc([C@@H](CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])N2CCCCC2)cc1 790471865 CWUKOBIVQCJXMK-OAQYLSRUSA-N 449.910 4.282 5 20 IIBD COc1ccc(OC(=O)C[C@H](NC(=O)c2ccc(C)cc2)c2ccccc2)cc1[N+](=O)[O-] 792120240 RKCVERHIHSSLNO-FQEVSTJZSA-N 434.448 4.379 5 20 IIBD Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 792473825 SSMYBWCPRFXOAC-CYBMUJFWSA-N 435.274 4.467 5 20 IIBD CCCOc1ccc(C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)c(OCCCOC)c1 792545163 FIGJODYAFMAIMB-UHFFFAOYSA-N 428.485 4.310 5 20 IIBD C[C@@H](C(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F 794036733 FEUKVWZRKIDUCG-AEFFLSMTSA-N 443.475 4.002 5 20 IIBD COc1ccc([C@H](O)C2CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC2)cc1 794464640 QFSWKNAYUVQLBQ-QFIPXVFZSA-N 426.513 4.487 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]1c1ccc(Br)c(F)c1 797576576 XCWOCNPYRANDHY-QGZVFWFLSA-N 447.264 4.210 5 20 IIBD C[C@H](OC(=O)C1(c2cccc(Cl)c2)CC(=O)C1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 798686297 PVVPNCXNDHIOKO-LBPRGKRZSA-N 441.827 4.203 5 20 IIBD CC(C)(C)OC(=O)NC[C@]1(C)CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 801645978 LMHOQUFACKOVJE-SFHVURJKSA-N 446.426 4.382 5 20 IIBD O=[N+]([O-])c1ccc(Oc2ccc(-c3noc(-c4cncc(-n5ccnn5)c4)n3)cc2)cc1 809362675 GTJQVNRJMMPMEF-UHFFFAOYSA-N 427.380 4.080 5 20 IIBD O=C(NCc1cccc(NC(=O)c2ccccn2)c1)Nc1cccc([N+](=O)[O-])c1Cl 809913481 LHDHCPQXCOUICB-UHFFFAOYSA-N 425.832 4.217 5 20 IIBD Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)c(Cl)c1 814483311 RJGXDAVJMLBSJU-LBPRGKRZSA-N 437.855 4.254 5 20 IIBD C[C@H](OC(=O)C1CCC(OC[C@@H]2CCCO2)CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 815342990 IYCFENNDXITKNL-XOQVMUHJSA-N 445.472 4.003 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)Nc1ccc(N2CCCC2)cc1 815511295 DBDQPIZTHQHPQZ-UHFFFAOYSA-N 437.374 4.009 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc(-n3cnc4ccccc43)cc2)cccc1[N+](=O)[O-] 857433713 NOWNRDCISHXYNN-MRXNPFEDSA-N 444.447 4.426 5 20 IIBD CC(=O)c1ccc(-c2ccc(C(=O)OCc3nc(-c4cccc([N+](=O)[O-])c4)no3)o2)cc1 914797308 IVQWAWAWSWUGDX-UHFFFAOYSA-N 433.376 4.464 5 20 IIBD O=C(COC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)N[C@@H](c1ccccc1)c1cccs1 917263010 JLMTTXGCOLRMOH-NRFANRHFSA-N 436.445 4.465 5 20 IIBD CCOc1ccc(Oc2cc(CNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)ccn2)cc1 917782591 QMPNFZAYFYZTNJ-UHFFFAOYSA-N 438.396 4.019 5 20 IIBD O=C(Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 918169501 GZOJFSYEBJCHHH-UHFFFAOYSA-N 430.760 4.254 5 20 IIBD CCOc1cc(NC(=O)N(C)[C@H](C)Cc2ccc(OC)cc2)c([N+](=O)[O-])cc1OCC 1115923814 DCHCSMNOHQAUQJ-OAHLLOKOSA-N 431.489 4.496 5 20 IIBD COc1ccc(C(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccc(OC)cc2)cc1 1317812693 KMJOFHPGVAVIKA-UHFFFAOYSA-N 437.408 4.040 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC3CCC(O)(C(F)(F)F)CC3)cc2[N+](=O)[O-])C1 1319717767 UUTSUPZRRVOKPU-GGRHHHIRSA-N 443.466 4.043 5 20 IIBD CC(C)n1ncc2c1[C@H](Nc1ccc(S(=O)(=O)N3CCCCC3)cc1[N+](=O)[O-])CCC2 1320533549 VKXFEDVYXRPXHJ-LJQANCHMSA-N 447.561 4.036 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Br)[C@H](O)c1cccc(C(F)(F)F)c1 1327986850 FDMOYPOCLABKFU-CQSZACIVSA-N 434.164 4.153 5 20 IIBD O=C(COc1ccc(Cl)cc1Br)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1340747965 NBHCQDXSJLQVLK-UHFFFAOYSA-N 445.609 4.041 5 20 IIBD CC(C)O[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)CCC2)cc1 1789596434 AYVDZNIOWNTTCN-HNNXBMFYSA-N 443.475 4.295 5 20 IIBD CSCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1 1790184434 RPOALQMLFOIEIB-UHFFFAOYSA-N 430.530 4.060 5 20 IIBD Cc1cccc(C)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1cccc([N+](=O)[O-])c1 1793940343 FWVGGFZIDLQQEW-WKCHPHFGSA-N 435.524 4.096 5 20 IIBD CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)[nH]n1 1816821948 VTRWJIVBXOZLBN-LJQANCHMSA-N 439.516 4.232 5 20 IIBD CC(C)/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1824841919 DUSNXCTTYKSQPS-BDTMADQZSA-N 441.572 4.359 5 20 IIBD O=C(c1ccsc1)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830493828 QSQYTMRKZGGCNP-HXUWFJFHSA-N 445.516 4.343 5 20 IIBD CCOc1ccccc1NC(=O)[C@H](C)OC(=O)Cn1c2ccccc2c(=O)c2ccccc21 10723340 RQEOHUSJKXDNRD-KRWDZBQOSA-N 444.487 4.124 5 20 IIBD C[C@H](OC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NC1CCCC1 11029229 HYJPAJWKBZVJHB-ZDUSSCGKSA-N 444.871 4.083 5 20 IIBD CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)c2ccccc2[N+](=O)[O-])nc1C 11231904 OAGHHXZLDPKSHZ-UHFFFAOYSA-N 425.466 4.383 5 20 IIBD COc1ccc(-n2c(SCc3ccc(C(N)=O)cc3[N+](=O)[O-])nc3ccccc32)cc1 16763396 OVOVJARUOCQXJG-UHFFFAOYSA-N 434.477 4.334 5 20 IIBD C[C@@H](OC(=O)CSc1ccc(F)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 17834656 XLYZBKLWWHITAU-SECBINFHSA-N 430.816 4.189 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccccc1[N+](=O)[O-] 24482986 CDNYDMBKVMUQJQ-RDTXWAMCSA-N 434.876 4.215 5 20 IIBD CSc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1[N+](=O)[O-] 25050464 NHDKCYUGQFGPTO-UHFFFAOYSA-N 444.465 4.154 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)[C@@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)cn2)cc1C 58363572 QXPHPJMTKZKALI-MRXNPFEDSA-N 434.452 4.156 5 20 IIBD COc1ccc(Cl)cc1C1(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 63081992 ZQONQQRMKYPSCW-UHFFFAOYSA-N 439.295 4.388 5 20 IIBD O=c1c(Cl)c(NCCc2ccc([N+](=O)[O-])cc2)cnn1-c1cccc(C(F)(F)F)c1 64915500 MWVSGXLAFLYQJN-UHFFFAOYSA-N 438.793 4.468 5 20 IIBD CCOc1ccc(NC(=O)CNc2ccc(C(=O)NC3CCCC3)cc2C)c([N+](=O)[O-])c1 65277295 PQEGDZBFQHAWRU-UHFFFAOYSA-N 440.500 4.025 5 20 IIBD Cc1c(C(=O)NC(C)(C)c2ccc(Cl)c(Cl)c2)nnn1-c1cccc([N+](=O)[O-])c1 109580945 QWIDQIQJGPCJDK-UHFFFAOYSA-N 434.283 4.456 5 20 IIBD CC[C@@H](c1ccc(F)cc1F)N1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 301421392 CGNHTFUXMOPMOV-IBGZPJMESA-N 446.454 4.103 5 20 IIBD O=[N+]([O-])c1cncc(Br)c1N1CCO[C@H](c2ccccc2Br)C1 301861759 DXJXFKVLNHARSA-AWEZNQCLSA-N 443.095 4.093 5 20 IIBD CN(Cc1ccc(F)cc1Br)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 302732936 UWFKCUPGWDHFAO-UHFFFAOYSA-N 436.281 4.369 5 20 IIBD O=C(NCc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 303211939 RKZKXQRIYKAIJV-UHFFFAOYSA-N 438.447 4.254 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])N1CCCc2cc(Br)cc(Cl)c21 303252662 GCDIISMKBUSIFC-UHFFFAOYSA-N 425.666 4.369 5 20 IIBD CS(=O)(=O)c1cc(C(=O)N(Cc2ccc(F)cc2)C2CCCCC2)cc([N+](=O)[O-])c1 409947639 MEHOOGJJTDZWIQ-UHFFFAOYSA-N 434.489 4.113 5 20 IIBD COCCN(C(=O)Cc1nc(C)sc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 428347909 OCQCQSFVFLFYGK-UHFFFAOYSA-N 432.527 4.014 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O 430463298 JYZFLTVWRZNIAZ-RBBKRZOGSA-N 432.517 4.350 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NC1(C(=O)O)CCC1 431798972 JOAZEVIQHIXHOA-NTCAYCPXSA-N 437.477 4.259 5 20 IIBD CC(C)(C(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1)c1ccccc1[N+](=O)[O-] 433234368 SBIKZVJEPCSPNQ-UHFFFAOYSA-N 441.491 4.437 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)F)cc1Sc1nnc(NCCc2cccs2)s1 436273625 JFMZCTBZYWUKPG-UHFFFAOYSA-N 433.462 4.727 5 20 IIBD CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccc([N+](=O)[O-])cc1O 436958063 DBANFBNNZDSJKA-UHFFFAOYSA-N 426.448 4.315 5 20 IIBD CCNc1ccc(C(=O)N[C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] 437342446 DXYQDPPJRUGQET-OPAMFIHVSA-N 427.501 4.082 5 20 IIBD Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 438920954 VSUXEJCIGOGLRR-UHFFFAOYSA-N 431.876 4.104 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 439489888 FMKQZTDSUCDGBI-KHJUTWJGSA-N 428.489 4.150 5 20 IIBD CC(C)c1ccc(C(=O)N(C)C[C@H](O)COc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] 439514677 OTGDUOUDSJJPAY-HNNXBMFYSA-N 440.418 4.249 5 20 IIBD O=C(Nc1cc(F)c(Br)cc1Cl)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 439617759 WTWRATMSDRVCFF-UHFFFAOYSA-N 446.664 4.215 5 20 IIBD COCc1nc2cc(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)ccc2o1 444183072 MEESZBJZOKSFFX-UHFFFAOYSA-N 435.386 4.499 5 20 IIBD O=C(NCCc1cc(F)c(F)c(F)c1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444302092 POVRKTFPXJMHTP-UHFFFAOYSA-N 432.348 4.349 5 20 IIBD O=C(Nc1n[nH]c(Cc2cccc(F)c2)n1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444773623 FCHUDHWSSAJQGN-UHFFFAOYSA-N 449.392 4.060 5 20 IIBD Cc1cc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)n(-c2ccc(C(F)(F)F)cn2)n1 446932443 VLVMOAXRNQIVSZ-UHFFFAOYSA-N 446.389 4.093 5 20 IIBD C[C@H]1CCCN(S(=O)(=O)c2ccc(CN[C@H]3CCCc4ccc([N+](=O)[O-])cc43)cc2)C1 447537065 SKMDBAZJGNAIMC-SBUREZEXSA-N 443.569 4.183 5 20 IIBD Cc1ccc(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])c(N2CCOCC2)c1 447689506 QBZHELYXNVATON-UHFFFAOYSA-N 446.376 4.401 5 20 IIBD CC[C@H](Nc1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-])c1ccncc1 462863751 RMOGZSFMCFTIQT-KVWWFHCMSA-N 432.546 4.410 5 20 IIBD O=C1NCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1c1c(F)cccc1Cl 463054815 HRGAKMWILPNISB-GOSISDBHSA-N 446.891 4.184 5 20 IIBD CCOc1ccc(S(=O)(=O)N(C)c2ccc(Oc3ncc(C)cc3[N+](=O)[O-])cc2)cc1 463059962 GVLDBMDISUGAIF-UHFFFAOYSA-N 443.481 4.314 5 20 IIBD CC[C@H](C)N(C(=O)c1cc([N+](=O)[O-])cc(Br)c1C)c1ccc(C(N)=O)cc1 463594298 HMQIGWONBPHOQJ-NSHDSACASA-N 434.290 4.210 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1C[C@@H](n2cccn2)Cc2ccccc21 464422112 PKBIQWCXNZZPMR-FQEVSTJZSA-N 434.499 4.182 5 20 IIBD O=C(c1ccncc1Cl)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 465023204 JYKZYSNOELPDOA-UHFFFAOYSA-N 442.928 4.330 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N(Cc1cccs1)c1ccc(F)cc1 465138061 WMLJYNVVWPJETN-UHFFFAOYSA-N 428.441 4.343 5 20 IIBD C[C@@H](O)C[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 468664494 ABEKIJOSSKPZRZ-CZUORRHYSA-N 436.917 4.011 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cc(F)c(F)cc1I 471150022 ZKJSWFMPVSMWHQ-UHFFFAOYSA-N 432.164 4.347 5 20 IIBD Cc1c(C(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)nnn1-c1cccc([N+](=O)[O-])c1 472280458 XROZLWDZPXPDQD-NRFANRHFSA-N 448.870 4.052 5 20 IIBD Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)c1cc([N+](=O)[O-])ccc1SCCO 472953062 QLASYEHQZCFGMZ-OAHLLOKOSA-N 426.498 4.046 5 20 IIBD COc1cc(CNCCc2cn(C)c3cc(F)ccc23)c([N+](=O)[O-])cc1OCC(F)F 473063955 CJTQQAQFPIGOMI-UHFFFAOYSA-N 437.418 4.210 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCOc1ccc(C(F)(F)F)cn1 474337325 OKRKPTNUAHBPBN-UHFFFAOYSA-N 426.395 4.008 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCSC3(CCOCC3)C2)cc1 474658782 IVIDHHFXPCKTBW-UHFFFAOYSA-N 444.509 4.134 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(N3CCO[C@@H](c4ccc(F)c(Br)c4)C3)n2)cc1 475738167 OVTHFSJTLZNESU-MRXNPFEDSA-N 449.236 4.124 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1OC(F)(F)F 476076780 CCARBUKIFMXLIQ-UHFFFAOYSA-N 435.152 4.273 5 20 IIBD O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)c1ccc([N+](=O)[O-])cc1Cl 476100447 DRZJBJVSJPNMBY-OAHLLOKOSA-N 442.686 4.480 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)cc1SC 476317737 FVWSPVIGOQBECV-UHFFFAOYSA-N 441.509 4.267 5 20 IIBD Cc1nc(-c2ccc([C@@H](C)Nc3ccc(S(=O)(=O)N(C)C)cc3[N+](=O)[O-])cc2)cs1 477011478 LHYVEFPOMGNUFI-CYBMUJFWSA-N 446.554 4.450 5 20 IIBD Cc1ccc(NC(=O)N2CCO[C@H](c3ccc(F)c(Br)c3)C2)cc1[N+](=O)[O-] 479764491 MCPDEZHWRIEBIE-KRWDZBQOSA-N 438.253 4.410 5 20 IIBD CC(C)c1c(NS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)cnn1-c1ccccc1Cl 480213872 LYYIRHBCHMCNHT-UHFFFAOYSA-N 436.877 4.064 5 20 IIBD COCCC1(CNC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)CCCCC1 482470955 ARHHLGRDPPWQMS-UHFFFAOYSA-N 428.533 4.173 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N[C@@H]2CC[C@H](c3ccccc3F)C2)cc1[N+](=O)[O-] 484876357 QMRDSSXRWWJMEQ-DZGCQCFKSA-N 441.488 4.080 5 20 IIBD CCn1c(SCc2nc(O)c3cc(Cl)ccc3n2)nnc1-c1ccc([N+](=O)[O-])cc1 489406826 PGEYCSXULYYYEX-UHFFFAOYSA-N 442.888 4.468 5 20 IIBD CCNC(=O)C1(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCC1 489694227 HEWWIPAWWZMACP-UHFFFAOYSA-N 431.876 4.077 5 20 IIBD CS(=O)(=O)c1ccc(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 490558091 RTOIPJMGPQSTPC-UHFFFAOYSA-N 428.491 4.402 5 20 IIBD C[C@H](O)CCN(C)[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 494912106 WCZXZBLGFJPWDS-YWZLYKJASA-N 440.525 4.101 5 20 IIBD Cc1ccc(NC(=O)CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c(Cl)c1 497049632 RSHYNSGCUHWNTQ-UHFFFAOYSA-N 430.873 4.049 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cc(F)ccc3F)cc2)cc1[N+](=O)[O-] 497122055 BCZYNRDBMWXPHX-UHFFFAOYSA-N 447.419 4.235 5 20 IIBD Cc1[nH]nc(C(F)F)c1NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 497890838 SLAOYEYALXRBFO-UHFFFAOYSA-N 431.186 4.309 5 20 IIBD O=C(Nc1ccc(OCc2noc(C3CC3)n2)cc1)c1ccc([N+](=O)[O-])c2cccnc12 498303514 KCDPMMZRAVGTGE-UHFFFAOYSA-N 431.408 4.235 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)cc1[N+](=O)[O-] 499105944 LXNJUSGUEONOMS-MAUKXSAKSA-N 443.504 4.178 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)N(Cc3ccccc3)C[C@H]2C)cc1SC 500418747 AAFSMKJBKNSEAP-JKSUJKDBSA-N 429.542 4.060 5 20 IIBD Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccc(OCCSc2ccc(Cl)cc2)cc1 501123871 FMLGQVWIULXENM-UHFFFAOYSA-N 446.916 4.083 5 20 IIBD CS(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2CCCc2ccccc2)cc([N+](=O)[O-])c1 502387402 AYPLTYQJMPTXCH-LJQANCHMSA-N 430.526 4.016 5 20 IIBD C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 502847993 XJHUXFAABFOSJV-AWEZNQCLSA-N 449.429 4.486 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 505792217 CRSTUMRKSPIXAZ-INIZCTEOSA-N 433.574 4.208 5 20 IIBD CCOC(=O)c1c(CC(C)C)csc1NC(=O)COc1c(Cl)cncc1[N+](=O)[O-] 506415269 IQDWULVYWKQJLK-UHFFFAOYSA-N 441.893 4.097 5 20 IIBD CCOc1ccccc1NC(=O)c1cc([N+](=O)[O-])cc(I)c1C 509017178 STQZWIHCQRBNSX-UHFFFAOYSA-N 426.210 4.159 5 20 IIBD Cc1cccc([C@@H](NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C(F)(F)F)c1 511833474 UXKBRCCFRSNMFB-GOSISDBHSA-N 437.374 4.011 5 20 IIBD COc1ccc(-c2nnc(Sc3ccc([N+](=O)[O-])cc3F)n2C[C@@H]2CCCO2)cc1 513100651 BVDMGAGZMDXVCI-INIZCTEOSA-N 430.461 4.331 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCN[C@@H](c3cccc(Cl)c3)C2)cc1[N+](=O)[O-] 513992415 QICGHZSWKBQAQU-MRXNPFEDSA-N 438.709 4.106 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)Nc3cncc(-c4nncn4C)c3)cc2[N+](=O)[O-])cc1 514049436 OYUKHPUZBMDMHW-UHFFFAOYSA-N 446.492 4.497 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1sccc1Br)c1ccccc1[N+](=O)[O-] 514562577 RQIJVEDJBIONJI-CYBMUJFWSA-N 441.303 4.232 5 20 IIBD CCCOc1cc(NC(=O)c2cccnc2N2CCCC2)c([N+](=O)[O-])cc1OCCC 514868343 IHOREVQVEXQXQF-UHFFFAOYSA-N 428.489 4.420 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3C[C@@H]4CCCN4c4ccccc43)cc2)c(C)c1[N+](=O)[O-] 515283611 FHJYBZWTYTUNLY-FQEVSTJZSA-N 431.496 4.086 5 20 IIBD C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F 516344291 KDFVPBRNSQZQEO-VIFPVBQESA-N 430.820 4.033 5 20 IIBD O=C(Nc1ccccc1CS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1Cl 517443460 YJLHLXRFAXHYCL-UHFFFAOYSA-N 430.869 4.474 5 20 IIBD COc1ccc(-c2noc(CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)cc1OC 517622746 LUYPRMJEHUKPAZ-UHFFFAOYSA-N 438.362 4.335 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(C3(c4cc(C(F)(F)F)ccc4Cl)CC3)n2)n1C 519031026 AWNYWUNSEWZRGY-UHFFFAOYSA-N 427.770 4.439 5 20 IIBD COc1cc(C(=O)N[C@H]2CCc3c(C)cccc32)c([N+](=O)[O-])cc1OCc1cscn1 520522681 RHBUXGTWJOLNHO-SFHVURJKSA-N 439.493 4.365 5 20 IIBD O=C(c1ccc(NC(Cc2ccccc2)Cc2ccccc2)c([N+](=O)[O-])c1)N1CCOCC1 520562443 QCBMOMCKZZYTJP-UHFFFAOYSA-N 445.519 4.333 5 20 IIBD O=C(N[C@H]1CCSc2ccc(Cl)cc21)N1CCN(c2ccccc2[N+](=O)[O-])CC1 520833494 CBXURBCMHODAIH-INIZCTEOSA-N 432.933 4.317 5 20 IIBD COC(=O)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)cc1 521242673 RKUWQRDDGTWELU-UHFFFAOYSA-N 436.420 4.364 5 20 IIBD COc1cc(C(=O)NC[C@H]2CCCCN2Cc2cccc(Cl)c2)c([N+](=O)[O-])cc1OC 521851083 LWCDFLOVPUUGIY-QGZVFWFLSA-N 447.919 4.050 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2c2nc(-c3ccc4ncccc4c3)no2)ccc1[N+](=O)[O-] 521940296 GDUKLNSTKGFDHR-HXUWFJFHSA-N 429.436 4.479 5 20 IIBD CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1 522522304 SMPHJQSJVWYJMI-PMERELPUSA-N 426.498 4.080 5 20 IIBD O=C(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)N1CCc2sccc2[C@@H]1c1ccccc1 524115236 DCXDVSQZPSWRGG-QFIPXVFZSA-N 445.504 4.089 5 20 IIBD Cc1ccc(NC(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1OCC1CCCCC1 525515015 VHINNMRXZBUTSK-UHFFFAOYSA-N 439.512 4.459 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(-c2ccc(Cl)cc2Cl)nc1 530504768 SZWICBAQHDHWCV-UHFFFAOYSA-N 445.262 4.219 5 20 IIBD COc1cc(CN(C)C(=O)c2ccc(Br)cc2[N+](=O)[O-])ccc1OC(F)F 531187719 ZXWSLHKDOTWINF-UHFFFAOYSA-N 445.216 4.240 5 20 IIBD C[C@H](NC(=O)NC1CCN(c2nc3ccccc3s2)CC1)c1cccc([N+](=O)[O-])c1 531687040 UZNDIFSJMURAHK-AWEZNQCLSA-N 425.514 4.234 5 20 IIBD COc1cc(-c2noc(-c3csc(-c4ccc([N+](=O)[O-])cc4)n3)n2)cc(OC)c1OC 532609592 CUJOWUHJNGDDGJ-UHFFFAOYSA-N 440.437 4.461 5 20 IIBD CCN([C@H](C)c1cccc(OC)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 533328646 XRIVAOIHFYFXJW-GFCCVEGCSA-N 432.420 4.394 5 20 IIBD O=[N+]([O-])c1ccc(Sc2nnc(-c3cnccn3)n2Cc2ccco2)cc1C(F)(F)F 533785004 ZEYGESAEUQEHQY-UHFFFAOYSA-N 448.386 4.455 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1COc2ccc(Br)cc21 534702664 URTMEUFLOIADHC-LLVKDONJSA-N 429.173 4.073 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1cc(-c2ccc(Cl)s2)[nH]n1 535322823 WTCOWYLSEZOEGJ-UHFFFAOYSA-N 429.845 4.266 5 20 IIBD Cc1cc(CN(CC(C)C)C(=O)NCc2cccc([N+](=O)[O-])c2)nc(N2CCCCC2)n1 536535217 AFXHUJVNVMCWEP-UHFFFAOYSA-N 440.548 4.051 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(Cc2cccnc2)CC1 537518069 APIKXJHDXKDOQK-UHFFFAOYSA-N 428.558 4.276 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(NCCc2csc(-c3ccc(Cl)cc3)n2)s1 537686118 KZOBDJQXMZSVFW-UHFFFAOYSA-N 443.959 4.491 5 20 IIBD COc1ccc(CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]2C)cc1OC 537854069 ORDJAPQEIDZGBF-OXJNMPFZSA-N 441.528 4.292 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 538651376 UFLIAMUWGYJFAK-SFHVURJKSA-N 440.548 4.359 5 20 IIBD Cc1ccc(C)c(Oc2ccc(CNc3sc(S(C)(=O)=O)cc3[N+](=O)[O-])cn2)c1 543960132 VHRBSXMKXMRQMV-UHFFFAOYSA-N 433.511 4.476 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1-c1nc(Cc2nc(O)c3c(C4CC4)csc3n2)no1 545576154 NSXOFBQDVXWCOF-UHFFFAOYSA-N 429.845 4.477 5 20 IIBD CNC(=O)c1cc(Oc2cccc(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)c2)ccn1 553781109 WPLGXNGTHTWZOX-ZDUSSCGKSA-N 438.415 4.023 5 20 IIBD CC(C)Oc1ccc([C@@H](CN[C@@H](c2ccc([N+](=O)[O-])cc2)c2nccn2C)N(C)C)cc1 554092998 SPAFOPDRAABKQX-PKTZIBPZSA-N 437.544 4.097 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)S(=O)(=O)c1ccc(Cl)cc1Cl 555095550 UQCZPZCQVRYSTM-MRVPVSSYSA-N 437.688 4.356 5 20 IIBD CC1CCN(Cc2ccc(CN[C@H](c3cccc([N+](=O)[O-])c3)c3nccn3C)cc2)CC1 556865678 VISIPWQVZPPVQR-XMMPIXPASA-N 433.556 4.439 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(C)c(OCC3CCOCC3)c2)c1 557844654 QUQOTEJOJFGWIQ-UHFFFAOYSA-N 428.485 4.425 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC(c2cccc(F)c2F)CC1 558702949 CPGKCHSKHXCILX-UHFFFAOYSA-N 429.467 4.496 5 20 IIBD CC(C)NC(=O)c1ccc(NCCc2cnc(SC3CCCC3)nc2)c([N+](=O)[O-])c1 558991827 LGAYUYQUOWHBPU-UHFFFAOYSA-N 429.546 4.212 5 20 IIBD C[C@@H](C(=O)N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cccc([N+](=O)[O-])c1 568466740 REFTWYZZOWXJNS-AUUYWEPGSA-N 449.429 4.025 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N[C@H]3CCO[C@@H]3c3nccn3C)cc2[N+](=O)[O-])cc1 581089511 PUTFDEWULSVJGC-PXNSSMCTSA-N 438.509 4.048 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N[C@H](c3nncn3C)C(C)C)cc2[N+](=O)[O-])cc1 581327342 WVKUFEOIQVEHPL-IBGZPJMESA-N 425.514 4.310 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CCCc2c(OC(F)F)cccc21 582441365 YEFDUHVMFIIDAR-UHFFFAOYSA-N 429.379 4.103 5 20 IIBD COc1cc(Cc2noc(/C=C\c3ccc(OC)c(Cl)c3)n2)c([N+](=O)[O-])c(OC)c1 582898739 IVPPCJWPNCPAAF-ALCCZGGFSA-N 431.832 4.418 5 20 IIBD O=[N+]([O-])c1ccccc1-c1ccc(CNc2cccc(S(=O)(=O)N3CCCC3)c2)o1 588931760 VZUOCBXSPVNMNB-UHFFFAOYSA-N 427.482 4.251 5 20 IIBD COc1ccc([C@H](NCc2cc(I)cc([N+](=O)[O-])c2)C2CC2)cc1 589258431 QBKXGZCFZUSECK-GOSISDBHSA-N 438.265 4.449 5 20 IIBD COc1cc(NC(=O)c2ccc([N+](=O)[O-])s2)c(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1OC 603597102 YDVAFQPWVKGBCK-STQMWFEESA-N 447.513 4.329 5 20 IIBD CCOc1ccccc1-c1nnc(SCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)o1 603680281 XTOTXRPFOSSVSU-UHFFFAOYSA-N 425.426 4.386 5 20 IIBD COc1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1NC(=O)c1cccnc1 603739498 PHEOHEQFXIYPIB-UHFFFAOYSA-N 432.392 4.249 5 20 IIBD C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 603961279 VOCZMCKRMPYEEB-ZDUSSCGKSA-N 448.882 4.453 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)c1C 603984069 XDMYBNYBWUTSSH-UHFFFAOYSA-N 439.921 4.052 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 604447092 LQPHODWQQFRSPF-WMLDXEAASA-N 434.876 4.215 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 608782714 CEGUWJSVDHHAGV-UHFFFAOYSA-N 426.448 4.206 5 20 IIBD COc1ccc(CC(=O)Nc2cc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)ccc2C)cc1[N+](=O)[O-] 609010692 CQZBDIFHMAAYGV-IYBDPMFKSA-N 439.512 4.211 5 20 IIBD COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 609012443 WXLVDCYVDOGXBI-OAQYLSRUSA-N 438.455 4.394 5 20 IIBD CCc1[nH]nc(C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2)c1[N+](=O)[O-] 609156466 OPHQDJWCVVPGAQ-MRXNPFEDSA-N 429.274 4.162 5 20 IIBD C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)c(Br)c1 609388807 CUFNISWYUGWXDH-MRVPVSSYSA-N 437.674 4.189 5 20 IIBD CC[C@@H](Cc1ccccc1)C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 609567675 LDQPFXPYBVJYIQ-HNNXBMFYSA-N 445.522 4.092 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](Cc1ccc(C)cc1)c1ccccn1 609676175 OVFOOKJQDJACQO-OAQYLSRUSA-N 425.510 4.123 5 20 IIBD COC(=O)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)Cc1cccc2ccccc12 609793497 ACMYTRZJSLUQCB-GOSISDBHSA-N 440.883 4.092 5 20 IIBD CC(C)n1c(CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)nc2ccccc21 610066183 VSITVCPLOJEUFM-UHFFFAOYSA-N 431.290 4.260 5 20 IIBD O=C(Nc1ccc(N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c(C(F)(F)F)c1)C1CC1 610577114 HECSTQQEIVUHET-SFHVURJKSA-N 448.401 4.180 5 20 IIBD Cc1nn(C)cc1[C@H]1CCCN1C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 610729398 MGRAVFVBKONIOI-HRAATJIYSA-N 434.500 4.182 5 20 IIBD COc1ccc2c(c1)OCC[C@@H]2NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 672778413 SDWHDWWRLDNAGL-FQEVSTJZSA-N 436.414 4.222 5 20 IIBD C[C@H](OC(=O)c1cnc(Cc2ccc(F)cc2)s1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 727216459 KCESXQKCTHZEHD-NSHDSACASA-N 447.419 4.104 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c1 727304040 CVGSZYDSODKFQK-UHFFFAOYSA-N 433.392 4.104 5 20 IIBD C[C@@H](OC(=O)c1cc(F)c(Cl)nc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 727521603 OWPLPSHEFCJDNI-ZCFIWIBFSA-N 436.610 4.273 5 20 IIBD CC(=O)Nc1cc(Cl)ccc1C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 727528676 IYAHBXYVBMIGGZ-SNVBAGLBSA-N 430.804 4.175 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(C)c(OC(F)F)c(C)c2)c([N+](=O)[O-])c1 730856666 XMIABHGIFPVGHH-LBPRGKRZSA-N 438.383 4.006 5 20 IIBD Cc1c(COC(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)cccc1[N+](=O)[O-] 730860323 AWUSUSQDEDGGJI-UHFFFAOYSA-N 425.462 4.234 5 20 IIBD Cc1ccc(CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)c2ccc3c(c2)OCCO3)s1 732116426 OGXPMJHVVLKXCN-UHFFFAOYSA-N 425.466 4.165 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)c([N+](=O)[O-])cc1OC 733244754 AVUJSOVNMPGVGJ-UHFFFAOYSA-N 444.831 4.490 5 20 IIBD CN(CCN1CCOCC1)C(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34 735882172 PKOJYTZBYUTTOO-UHFFFAOYSA-N 428.532 4.338 5 20 IIBD COc1cc(N2CCC(OC(=O)c3nc(-c4ccco4)sc3C)CC2)ccc1[N+](=O)[O-] 739381833 SFCUHFJNBIRWBT-UHFFFAOYSA-N 443.481 4.454 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3cnc4ccsc4c3)CC2)ccc1[N+](=O)[O-] 744203422 IYLBHANYYHLFTD-UHFFFAOYSA-N 427.482 4.429 5 20 IIBD CCOc1cc(N2CCC(OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)ccc1[N+](=O)[O-] 744204493 ODXCZHVCCWSTHA-BJMVGYQFSA-N 441.440 4.127 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 748529798 QFAJICGNIGKBJO-ZWKOTPCHSA-N 442.516 4.470 5 20 IIBD O=C(Oc1ccc(Cc2ccccc2)cc1[N+](=O)[O-])[C@@H]1CCCN(C(=O)c2ccncc2)C1 749062562 PYBQJCJGMCLXEK-OAQYLSRUSA-N 445.475 4.038 5 20 IIBD CC(C)CN1CCC[C@@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 750921269 GJFZDBWYEPPYKO-LBPRGKRZSA-N 432.746 4.109 5 20 IIBD O=C(Nc1ccc2nc(C3CC3)oc2c1)c1ccc(I)c([N+](=O)[O-])c1 750959160 YRZNSIZTCYCHCF-UHFFFAOYSA-N 449.204 4.470 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)c(OC[C@@H]2CCCO2)c1 751109363 XIPMFQLEQJEYMJ-AWEZNQCLSA-N 435.274 4.476 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1nc(Cc2ccccc2)no1 752427280 AJRMZDVEVOKIGF-INIZCTEOSA-N 435.484 4.050 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N(Cc1ccccc1)C[C@@H](O)c1ccco1 752768744 OKODRVZPUMALDF-HSZRJFAPSA-N 449.507 4.167 5 20 IIBD C[C@@H](C(=O)N1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1F 754373194 FOCNMCHSJWYZHZ-QRWLVFNGSA-N 449.523 4.476 5 20 IIBD COc1cc(Cl)c(C(=O)COC(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cc1OC 754987411 YDIZKUDRQFMAGY-UHFFFAOYSA-N 432.187 4.098 5 20 IIBD Cc1cc(N2CCCC2)ccc1NC(=O)COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F 754991235 XBTGJQBODSFBNX-UHFFFAOYSA-N 435.839 4.091 5 20 IIBD Cc1ccc(NC(=O)Cc2nc(COC(=O)c3ccc(F)cc3[N+](=O)[O-])cs2)cc1 758114442 QZLRQTWABVLLJL-UHFFFAOYSA-N 429.429 4.037 5 20 IIBD CSc1ccc2cc(Cn3cc(Br)c(=O)c([N+](=O)[O-])c3)c(Cl)nc2c1 763274854 MCABMYORSIECSZ-UHFFFAOYSA-N 440.706 4.491 5 20 IIBD Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1cc(F)c([N+](=O)[O-])cc1F 763516792 CPEVHOUDTVZWFB-INIZCTEOSA-N 441.438 4.077 5 20 IIBD O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCC[C@H](N2CCCCC2=O)C1 768032673 QTSOVOHSAPYTQE-IBGZPJMESA-N 439.537 4.363 5 20 IIBD Cc1csc(SCc2c(C(=O)NCCn3cc([N+](=O)[O-])cn3)oc3ccccc23)n1 769383536 VVBLQDNCHYOXHE-UHFFFAOYSA-N 443.510 4.025 5 20 IIBD O=C(COc1ccc(C2SCCCS2)cc1)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 769624156 QLZXEKIKZFVDBW-UHFFFAOYSA-N 444.538 4.035 5 20 IIBD CN(CCC1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1)C(=O)OC(C)(C)C 769764887 QAWPDPQHHHOWMB-UHFFFAOYSA-N 446.548 4.278 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CC[C@@]3(C2)OCc2ccccc23)c1=S 769775347 CRUYNGGVFLXUHU-QFIPXVFZSA-N 437.525 4.098 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(NC(=O)c2ccco2)cc1 769892636 VFPWDGOHGSDQHQ-UHFFFAOYSA-N 436.829 4.170 5 20 IIBD O=C(Cc1noc(COc2ccc([N+](=O)[O-])c(F)c2)n1)Nc1cccc(Cl)c1Cl 771044919 BLSLDDXKAPAFSA-UHFFFAOYSA-N 441.202 4.184 5 20 IIBD C[C@H](Cc1ccco1)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 772476009 UAQIUCUSLKYSJU-GFCCVEGCSA-N 431.495 4.086 5 20 IIBD O=C(Nc1ncc(C2(O)CCCCC2)s1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 773181450 AXBXXEOMZCTJPI-UHFFFAOYSA-N 430.530 4.058 5 20 IIBD COc1ccc(-c2nc(C(=O)N3CCc4cc(C)c([N+](=O)[O-])cc43)cs2)cc1OC 773992379 FLFIVRLFLHJPHR-UHFFFAOYSA-N 425.466 4.247 5 20 IIBD CSc1cccc(C(=O)OC[C@H]2CC(=O)N(C)[C@H]2c2cccc(Cl)c2)c1[N+](=O)[O-] 777320656 ASLNKGRRTGVCNA-ACJLOTCBSA-N 434.901 4.347 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1NC(=O)C[C@@H]1C=CCC1 777933654 SBJIHRDANPCHEU-CQSZACIVSA-N 433.461 4.138 5 20 IIBD Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 777981674 LFFJTPSRTQQVLQ-UHFFFAOYSA-N 433.392 4.100 5 20 IIBD CC(C)C[C@H](CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N[C@H](C)c1ccccc1 783323222 JEZVFRKUURSIQE-NVXWUHKLSA-N 446.935 4.068 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)c1noc(-c2ccccc2)n1 784644230 ORGPXRCADIVDTK-ZDUSSCGKSA-N 429.454 4.301 5 20 IIBD Cc1csc(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c1I 787113299 HOCNHDKYGAZWAH-UHFFFAOYSA-N 436.658 4.153 5 20 IIBD COC(=O)c1sc(S(=O)(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)c(C)c1Cl 788494557 VMQFWHMNSQHDIF-UHFFFAOYSA-N 439.298 4.167 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NOC[C@@H]1CCOC1 788573393 DUYRELRSHFUYNF-FEEIMYBTSA-N 439.493 4.220 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1)Oc1ccc(Oc2ncc(Br)cn2)cc1 789730897 REVNABORJGJNHD-UHFFFAOYSA-N 430.214 4.088 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)c1cc(F)ccc1[N+](=O)[O-] 790072374 MQOHKKLSHLJEGH-UHFFFAOYSA-N 447.419 4.235 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 794028981 ADVGSOSESBTZCN-FQEVSTJZSA-N 439.512 4.299 5 20 IIBD COc1ccc([C@@H]2C[C@H]2NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cc1 794158881 JIAKAFZZUNYZOX-GXTWGEPZSA-N 425.666 4.305 5 20 IIBD CCCC(=O)Nc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c1C 795302730 MLPZUXZDPLDOAB-UHFFFAOYSA-N 429.857 4.235 5 20 IIBD O=C(Nc1c(Cl)ccc2c1CCO2)c1ccc(I)c([N+](=O)[O-])c1 797333718 WFVWAWQEUZBGBJ-UHFFFAOYSA-N 444.612 4.040 5 20 IIBD COC[C@H](C)Nc1ccccc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 798051102 DSIQIQDTRJMLRY-JTQLQIEISA-N 426.242 4.196 5 20 IIBD CC1(C)C[C@H](OC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c2ccccc2O1 799434323 NODMVBOFXDKRPO-HOCLYGCPSA-N 430.482 4.107 5 20 IIBD O=C(CNc1ccc(OCC(F)(F)F)c(Cl)c1)N1CCc2ccc([N+](=O)[O-])cc21 799969186 BZEZOKRZOPFWMW-UHFFFAOYSA-N 429.782 4.191 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2ccccc2)C1 800561344 CFLLDPDPDLRCIU-AZUAARDMSA-N 440.500 4.428 5 20 IIBD O=C(OCc1c(F)cc([N+](=O)[O-])cc1F)c1nc(C2CC2)n(-c2ccccc2Cl)n1 803325540 PSZJYSONUODNBY-UHFFFAOYSA-N 434.786 4.342 5 20 IIBD CC(C)Oc1ccc([C@@H](CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)N(C)C)cc1 806175536 BZSNNFFKAVPLFT-XMMPIXPASA-N 426.561 4.243 5 20 IIBD COc1cc(Br)ccc1OC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 809056696 JDGQFWYCYQDAAE-SECBINFHSA-N 430.638 4.392 5 20 IIBD Cc1cnc(O)n1-c1cccc(-c2noc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)n2)c1 809360938 DSTZIXMNDXOVGW-UHFFFAOYSA-N 432.440 4.112 5 20 IIBD C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1nccn1-c1ccccc1 809847295 PHTRNRKPSYESJM-LLVKDONJSA-N 441.296 4.127 5 20 IIBD C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1Cl 809917790 AZKZVPWVIRCFSV-INIZCTEOSA-N 432.908 4.003 5 20 IIBD CCC[C@H](NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C1CCCCC1 810361855 OBFJZIBMZDNITK-HNNXBMFYSA-N 426.311 4.161 5 20 IIBD Cc1cccc(NC(=O)NC(=O)COC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1C 811374514 IYGTXPNTHPAENO-UHFFFAOYSA-N 440.239 4.024 5 20 IIBD O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 812862255 QRPXJKZLEVNHGT-UHFFFAOYSA-N 442.686 4.153 5 20 IIBD COCCN(C)CCCC1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 813504565 VCEMOTNYZYWNBN-UHFFFAOYSA-N 432.348 4.112 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](N[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC12CCC2 813880016 ZVQJRFPJKKXBJC-RCCFBDPRSA-N 433.553 4.187 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCN(Cn3ncc4cc([N+](=O)[O-])cc(Cl)c43)CC2)C1 814229098 KHINHYWOVNLAPM-UHFFFAOYSA-N 449.939 4.278 5 20 IIBD C[C@H](C(=O)O[C@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O)c1ccc([N+](=O)[O-])cc1F 816404611 YSUXVKUSVLJAAS-YRVVQQKDSA-N 432.423 4.272 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cccc(C4OCCO4)c3)cc2[N+](=O)[O-])C1 819532022 PRBYKEGHUVROFD-HZPDHXFCSA-N 425.485 4.375 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2[C@@H](O)C(F)(F)F)c(Cl)cc1Cl 821190540 AQVWWIXLEDGFBJ-CYBMUJFWSA-N 445.202 4.298 5 20 IIBD Cc1cc(CNC(=O)C(F)(F)F)cc(NCc2c(Br)cccc2[N+](=O)[O-])c1 864038113 DBGZFECBIPGRDD-UHFFFAOYSA-N 446.223 4.456 5 20 IIBD COc1ccc(CSCC(=O)OCc2ccc(Br)s2)cc1[N+](=O)[O-] 914727375 ZSXNSLCDATWOKB-UHFFFAOYSA-N 432.317 4.404 5 20 IIBD Cc1ccc(C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1NC(=O)c1ccco1 914884224 ZISPSFWCNGMJQY-UHFFFAOYSA-N 448.391 4.156 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cc([N+](=O)[O-])ccc1N1CCCCC1 915283035 BNHOXPJPNCCCRU-UHFFFAOYSA-N 436.371 4.347 5 20 IIBD COc1cc(C(=O)Nc2cc(C)nn2-c2ccc(C)cc2)c([N+](=O)[O-])cc1OC(F)F 1317743037 CXVJBWLEUQNCIS-UHFFFAOYSA-N 432.383 4.260 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 1318005956 NUPJMPUBCAMEPW-KGLIPLIRSA-N 428.876 4.298 5 20 IIBD Cn1c(COc2ccccc2Cl)nn(CN2CCc3ccc([N+](=O)[O-])cc3C2)c1=S 1319561754 HAFCXWOSCDZPGB-UHFFFAOYSA-N 445.932 4.107 5 20 IIBD CN(C)c1ccc(CCNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cc1 1323019237 JXVAPOFIFNASIP-UHFFFAOYSA-N 448.310 4.126 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(-c2nnc(-c3cc(C)nc4ccccc34)o2)cc1OC 1341460604 PWWGXBNHJJJLQI-UHFFFAOYSA-N 436.424 4.202 5 20 IIBD C[C@@H](Cc1ccco1)C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1 1785751493 GMMLEGWTNOWMGX-HNNXBMFYSA-N 437.452 4.407 5 20 IIBD Cc1oncc1C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])cc2)CCC1 1792315752 ZTHYESGZUFHEPE-KPKJPENVSA-N 446.463 4.352 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC=CCC1)c1cc2cc([N+](=O)[O-])ccc2s1 1800016767 NGHMLJQWSKEMHI-OWLYRPNTSA-N 439.537 4.418 5 20 IIBD CC(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)[nH]n1 1816729721 VWGDANZXXZXLBU-LJQANCHMSA-N 439.516 4.088 5 20 IIBD Cc1cc(CCCC(=O)N2CC3(CCCN3C(=O)[C@H]3CCC[C@@H]3C)C2)c([N+](=O)[O-])cc1F 1843961455 FYCZXEPHOYYQIX-LPHOPBHVSA-N 445.535 4.005 5 20 IIBD CCCC[C@@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)Nc1cc(C)on1 10723559 CXMOJDTVJTZBPY-OAQYLSRUSA-N 447.491 4.192 5 20 IIBD O=C(COC(=O)c1ccccc1Br)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 11026537 BSHFUPUDRLXPGY-UHFFFAOYSA-N 447.163 4.172 5 20 IIBD O=C(Nc1cc2ccccc2cc1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CC1 11239965 BJGXYVOCWURTBK-UHFFFAOYSA-N 444.491 4.059 5 20 IIBD C[C@H](Sc1n[nH]c(C(C)(C)C)n1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 12256327 ADHKFASFVKEIMY-JTQLQIEISA-N 432.531 4.253 5 20 IIBD CCOC(=O)c1sc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)nc1C 14866318 LRTFSYPZWNVLBH-UHFFFAOYSA-N 432.502 4.025 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])c3cnccc23)cc1 15129472 UXECYIXXSUDALN-OAHLLOKOSA-N 428.514 4.347 5 20 IIBD COc1ccc(Br)c(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 17669752 FGXNLGIRWWUWLV-JTQLQIEISA-N 448.229 4.334 5 20 IIBD C[C@H](OC(=O)COc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1Cc1ccccc1 22095628 WEAVCXBIRIIVCY-KRWDZBQOSA-N 434.448 4.135 5 20 IIBD Cc1ccc(C)c(OCc2nnc(SCCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)c1 26370724 REJKILULIZCDAM-UHFFFAOYSA-N 428.470 4.295 5 20 IIBD Cc1ncc2c(n1)CC[C@@H](NC(=O)c1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)C2 30389538 AIYCTHZIVDQTEV-QGZVFWFLSA-N 438.871 4.426 5 20 IIBD CCNC(=O)COc1cccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c1 31815836 NOIDTPSIDQWAQR-UHFFFAOYSA-N 434.452 4.106 5 20 IIBD CC(C)C[C@H](C)Oc1cc(CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)ccn1 217134064 FDDRKUOIIPHXLJ-INIZCTEOSA-N 437.500 4.134 5 20 IIBD COc1ccc(CN[C@H](C)C(=O)Nc2ccccc2)cc1OCc1ccc([N+](=O)[O-])cc1 237155925 YRPKTUJQMXWTGR-QGZVFWFLSA-N 435.480 4.299 5 20 IIBD CNS(=O)(=O)c1ccc(N[C@@H](C)c2sc(-c3ccccc3)nc2C)c([N+](=O)[O-])c1 301096205 NHRLMTPLYQKBCO-LBPRGKRZSA-N 432.527 4.108 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1 301777558 HETKYWSRVREJRS-UHFFFAOYSA-N 436.415 4.186 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)c1 303836260 HOMUTTPLABPMGX-UHFFFAOYSA-N 435.811 4.193 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CC1(c2ccc(Br)cc2)CC1 303914704 SHXNCTSPMQLGRN-UHFFFAOYSA-N 439.331 4.018 5 20 IIBD COc1cc(CN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)C2CC2)ccc1OC(F)F 430141859 ADNDZGXGMFTIFH-UHFFFAOYSA-N 436.411 4.083 5 20 IIBD COc1ccc([C@H](CNC(=O)c2ccc(O)c([N+](=O)[O-])c2)c2c[nH]c3ccccc23)cc1 436632900 FBHIKAKRTTUGBX-IBGZPJMESA-N 431.448 4.352 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1ccc2nc(C3CC3)sc2c1 438655966 NYRGVFDTCOCCRM-UHFFFAOYSA-N 438.509 4.458 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1 442835029 CQAZKJODMXJZLO-WBVHZDCISA-N 442.459 4.313 5 20 IIBD CCCOc1cc(NC(=O)C(=O)Nc2ccc3c(c2)CCC3)c([N+](=O)[O-])cc1OCCC 446444695 NKBVPTNTPFKMCZ-UHFFFAOYSA-N 441.484 4.238 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)c(C(F)(F)F)c1 447039230 HSUXNSNBSCWIJI-KSSFIOAISA-N 444.431 4.060 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Nc1ccc(Oc2cccc(F)c2F)nc1 447268250 TURMGXZRXKWALA-UHFFFAOYSA-N 425.344 4.000 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1 447293378 VZSAJXBSJBKYQX-UHFFFAOYSA-N 441.793 4.401 5 20 IIBD Cc1cc(N2CCN(c3nnc(C(F)(F)F)s3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] 461950418 XSMZCMQQRLKANZ-UHFFFAOYSA-N 441.357 4.119 5 20 IIBD CC(=O)c1ccc(N[C@H](C)c2ccc(Br)cc2OCCCO)c([N+](=O)[O-])c1 461981086 CSDHPQHRQMHJHV-GFCCVEGCSA-N 437.290 4.494 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3[nH]c(-c4ccco4)nc3c2)c2ncccc12 463529768 YAQVSLGCVZZARV-UHFFFAOYSA-N 435.421 4.080 5 20 IIBD COc1ccccc1Oc1ccc(CNC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1 464030777 VARPZDJQGPVHGQ-UHFFFAOYSA-N 449.463 4.267 5 20 IIBD CN(C)c1cc(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c2ccccc2n1 465082209 CWTMEFFEWSIZDM-UHFFFAOYSA-N 448.401 4.080 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])NCc1cccc(Cn2cnc3ccccc32)c1 465784381 LDKNVUDGTXIJLY-UHFFFAOYSA-N 429.480 4.035 5 20 IIBD COc1cccc(-c2noc([C@@H](C)NC(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)n2)c1 466462046 UBCFPSUCRKKXDQ-SNVBAGLBSA-N 449.370 4.138 5 20 IIBD O=C(C[C@@H]1CCCCCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1cccs1 467066940 ZAAIELFJVOFWKM-ZDUSSCGKSA-N 426.491 4.002 5 20 IIBD CN(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H](C(N)=O)c1cccc(Br)c1 468473752 AGUHQGSQJWIFLL-IBGZPJMESA-N 444.285 4.276 5 20 IIBD C[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c2ccccc2S1 468903479 JKSRLOYZBNBQOF-JTQLQIEISA-N 429.317 4.047 5 20 IIBD CCc1ccc(C(=O)N(Cc2ccoc2C(=O)OC)[C@@H](C)c2ccccn2)cc1[N+](=O)[O-] 471920571 UEZDWCIDNFFZSL-HNNXBMFYSA-N 437.452 4.335 5 20 IIBD Cc1c(C(=O)N[C@H](C)c2nc(-c3ccc(Br)cc3)no2)cccc1[N+](=O)[O-] 472677009 KGFRWAYVBLXFKQ-LLVKDONJSA-N 431.246 4.207 5 20 IIBD COc1ccc(CNC(=O)c2cc(F)c(F)cc2C(=O)c2ccccc2)cc1[N+](=O)[O-] 475029466 FLVPBCCWGHGRQY-UHFFFAOYSA-N 426.375 4.043 5 20 IIBD COc1ccc(CN2CCC(CNC(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)CC2)cc1 475562306 FERHIDGKIOKXJR-UHFFFAOYSA-N 426.517 4.254 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N[C@@H](CCO)C2CCCCC2)cc1[N+](=O)[O-])c1ccccn1 477939038 URLLZZSCPLKBMZ-UZLBHIALSA-N 426.517 4.224 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N[C@H](C)C(=O)N3Cc4ccccc4C3)c([N+](=O)[O-])c2)cc1 480859078 VRQYFJXTAHEUCK-QGZVFWFLSA-N 444.491 4.498 5 20 IIBD Cn1cc([C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c2ccc(F)cc2)cn1 481264890 ZGLJJBZJYVIUBA-KRWDZBQOSA-N 437.353 4.397 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1nc(O)c2sccc2n1 481552311 QGARVIWAYXBXIK-UHFFFAOYSA-N 432.527 4.325 5 20 IIBD Cn1ncc2c1CCC[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 481770485 NXVMMTWASCHMJK-FQEVSTJZSA-N 439.903 4.401 5 20 IIBD COc1ccc(-c2nnc(NC(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])s2)cc1 481949223 UEEQSZUFRYONIB-UHFFFAOYSA-N 433.877 4.140 5 20 IIBD CCCN(C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ccccc1 483530913 QROQQTQLERLDMD-CQSZACIVSA-N 431.514 4.205 5 20 IIBD O=C(NCCOc1ncccc1Cl)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 485735849 HBRKDCLVYJORSD-UHFFFAOYSA-N 427.844 4.031 5 20 IIBD Cc1csc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1Br 485859875 DOPIHCMVGXKGJY-UHFFFAOYSA-N 425.304 4.411 5 20 IIBD CSc1cccc(C(=O)N2CSC[C@H]2C(=O)Nc2cccc(C)c2C)c1[N+](=O)[O-] 486243696 LIOIPQVOTODJMP-INIZCTEOSA-N 431.539 4.087 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1 486494441 XKRJJQSAKMJVMI-CQSZACIVSA-N 436.555 4.427 5 20 IIBD O=C(CSCC(=O)c1ccc(Cl)cc1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 486747732 VDLRRNARXXZPHS-UHFFFAOYSA-N 446.834 4.499 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 487411929 LGFWUCFPLFGTAS-KRWDZBQOSA-N 442.541 4.402 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 489158256 QKDHBIFWHVPOIW-UHFFFAOYSA-N 446.369 4.290 5 20 IIBD Cc1ccc([C@@H](CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])N2CCCC2)cc1 489178953 XUZKJRGTRUQMFX-JOCHJYFZSA-N 433.512 4.117 5 20 IIBD CCN1CCN(c2ccc(NC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)c(C)c2)CC1 489595715 UCEXVDIALNDMIJ-UHFFFAOYSA-N 437.544 4.242 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CCN2C[C@H](C)O[C@H](C)C2)CC1 490135081 GCYVCBDUOWXKGX-CALCHBBNSA-N 435.590 4.058 5 20 IIBD Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)Cc2cccnc2)cc1[N+](=O)[O-] 493444117 VHQPJMMXJRDXRL-UHFFFAOYSA-N 425.510 4.040 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCC[C@@H]1c1cccc(Br)c1 500676743 HNZQBCAQXRDAMK-QGZVFWFLSA-N 439.331 4.067 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 502689462 CNAUVRBGWJFURR-UHFFFAOYSA-N 447.944 4.349 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ccccn3)cc2)cc1OC 504172322 BYOCQDILSPYACH-UHFFFAOYSA-N 439.424 4.068 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCN([C@H](C)c2ccccc2F)C1=O 505429196 QEDIDILAAONKQN-QEEYODRMSA-N 445.516 4.083 5 20 IIBD COc1cccc([C@@H](C)N2CCN([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)c1 507766289 KXVHYGSWXKPVME-SJORKVTESA-N 437.500 4.093 5 20 IIBD CC(C)C[C@@H](CNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N(C)C 511083886 XVNXTMRTOQWQPC-QHCPKHFHSA-N 449.555 4.083 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@H](C)C3=CCN(C)CC3)c([N+](=O)[O-])c2)c(C)c1 511360182 MKMIMAGIVYFJAD-QGZVFWFLSA-N 444.557 4.075 5 20 IIBD COc1cc(C(=O)NCC(C)(C)c2ccccc2)c([N+](=O)[O-])cc1OCc1cscn1 512346245 LRUMFHCHKZQTTO-UHFFFAOYSA-N 441.509 4.347 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 515623948 FJHCEQYNWDBAOL-ILBGXUMGSA-N 443.503 4.391 5 20 IIBD Cc1c(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cnn1-c1ccc(Br)cc1 515681898 MSRXMTHKOBHZBS-GFCCVEGCSA-N 429.274 4.342 5 20 IIBD CCOc1cc(NC(=O)C(=O)N(C)[C@H](C)c2ccc(C)cc2C)c([N+](=O)[O-])cc1OCC 516080180 JGRMRYUYIRXCJS-MRXNPFEDSA-N 443.500 4.167 5 20 IIBD COc1ccc(COCc2cccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)cc1 519120737 QGWJVLYJJDYSFK-UHFFFAOYSA-N 442.493 4.429 5 20 IIBD O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)c1cc2cc([N+](=O)[O-])ccc2s1 520098116 JRXHENMYDVQRIO-SFHVURJKSA-N 445.928 4.266 5 20 IIBD CC1CCN([C@@H](C)CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 520857755 SHCOYOHZMJHOMZ-ZWKOTPCHSA-N 425.533 4.013 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)C1CC(c2cccc(F)c2)C1)c1ccccc1[N+](=O)[O-] 522904630 PTZIDFBEAPGTSH-UHYCVJNDSA-N 428.460 4.427 5 20 IIBD Cc1ccc(-n2nc(C)cc2NC(=O)COc2ccc([N+](=O)[O-])cc2Br)cc1 523110573 UTAJIOGYVOSFFE-UHFFFAOYSA-N 445.273 4.177 5 20 IIBD COc1cc(CCNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)c([N+](=O)[O-])cc1OC 523971588 NEDLEXZBIOQCHR-UHFFFAOYSA-N 449.389 4.137 5 20 IIBD O=C(CN1CCCC[C@H]1c1nc(-c2ccccc2)no1)Nc1ccc([N+](=O)[O-])cc1Cl 532558392 KKARWIUHLACVOL-SFHVURJKSA-N 441.875 4.464 5 20 IIBD Cc1noc(C)c1CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1c(C)noc1C 533301107 GRPNFUORQKJSNM-UHFFFAOYSA-N 447.879 4.099 5 20 IIBD Cc1ccccc1[C@@H](OC[C@H](O)Cn1cc(Br)c([N+](=O)[O-])n1)c1ccccc1 533675809 XVHAZDKEQUQQKE-APWZRJJASA-N 446.301 4.029 5 20 IIBD Cn1cc(CNc2ccc(-c3nnc4n3CCCC4)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 535836336 QXUABUMPJMXSRO-UHFFFAOYSA-N 429.484 4.202 5 20 IIBD CN(C(=O)c1cn(C)nc1-c1cccs1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 537151098 LWMDMIMRMDTVNF-UHFFFAOYSA-N 425.495 4.457 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CCC1CCN(c2ccncc2)CC1 537783236 AIOZQCURJUHMTB-INIZCTEOSA-N 446.935 4.176 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)CSc1ccc([N+](=O)[O-])cc1 538041972 COXBSRYAHVBEIW-XIKOKIGWSA-N 439.331 4.342 5 20 IIBD COCC[C@@H](Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])c1ccc(C)o1 539773355 AXRHZRUWLPADCX-LJQANCHMSA-N 445.497 4.487 5 20 IIBD COc1cc(OC)c2cc(CCCNC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)[nH]c2c1 539881673 ROXZKVIFBSNVDV-UHFFFAOYSA-N 425.485 4.381 5 20 IIBD COc1cc(Cc2noc(CSc3nccn3-c3ccccc3C)n2)ccc1[N+](=O)[O-] 545052428 FXTYFHAJCOFNJW-UHFFFAOYSA-N 437.481 4.364 5 20 IIBD CCN(CC)c1ccc(-c2noc(CSCc3ccc(OC)c([N+](=O)[O-])c3)n2)cn1 546385029 XURATZHSUZHHNA-UHFFFAOYSA-N 429.502 4.328 5 20 IIBD CN(C(=O)c1ccncc1)c1ccc(-c2noc(/C=C\c3cccc([N+](=O)[O-])c3)n2)cc1 547134323 UWXBDJWMXXQKIR-YHYXMXQVSA-N 427.420 4.487 5 20 IIBD COc1cc(CN(C)C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c(SC)cc1OC 547242855 YQKVNQSWMJBWET-UHFFFAOYSA-N 436.505 4.409 5 20 IIBD Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)CC3 551440623 USWGUCAOJSEQQI-OAHLLOKOSA-N 448.523 4.294 5 20 IIBD CC1(C)CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@H]1c1cccs1 553571779 KDQVCNZHQXHZNG-AWEZNQCLSA-N 431.333 4.191 5 20 IIBD COc1ccc([C@@H](CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])N2CCCCC2)cc1 554473625 QBCJNTPZDBKQLL-HSZRJFAPSA-N 440.544 4.015 5 20 IIBD CCOC(=O)[C@H](c1ccc(Cl)cc1Cl)N(C(=O)c1cc([N+](=O)[O-])cn1C)C1CC1 555630539 WQWAIEUNJHBKSH-KRWDZBQOSA-N 440.283 4.149 5 20 IIBD CCCOc1cc(NC(=O)N2CCC[C@H](c3ccnn3C)C2)c([N+](=O)[O-])cc1OCCC 558753202 QPOGZQOZYHZCIQ-INIZCTEOSA-N 445.520 4.317 5 20 IIBD CC(C)(C)Cc1nc2cc(NC(=O)CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])ccc2o1 568425869 AASBQDMWQVKBOE-UHFFFAOYSA-N 444.875 4.347 5 20 IIBD O=C(c1ccccc1OC(F)F)N1CCC[C@H]1c1nc(-c2cccc([N+](=O)[O-])c2)no1 571202588 JJILLJNITPMYJT-HNNXBMFYSA-N 430.367 4.224 5 20 IIBD Cc1nc(-c2noc(Cc3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)n2)co1 571446243 JWDSAVKBLHFFJX-UHFFFAOYSA-N 428.408 4.385 5 20 IIBD CC(C)c1ccc(C[C@H](C)NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1 572742853 SPLJBMVUMGCMPR-ZDUSSCGKSA-N 448.317 4.167 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H]2CC[C@@H](c3cccc(F)c3)C2)cc1[N+](=O)[O-] 572863020 JIYAWXXXTPMUNK-WBVHZDCISA-N 427.476 4.422 5 20 IIBD CCN1CCCC[C@@H]1CNC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 579456686 DVERUVBFQLUWDZ-QGZVFWFLSA-N 441.553 4.152 5 20 IIBD COC(=O)c1ccc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)s1 590536147 RGBKLGKNMZUVDM-GFCCVEGCSA-N 426.454 4.263 5 20 IIBD CS(=O)(=O)c1ccc(-c2csc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)n2)cc1 603733138 VEVJVPDEWMXSDV-UHFFFAOYSA-N 443.462 4.120 5 20 IIBD C[C@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccc2nc(O)[nH]c2c1 603919176 ZLUSXKRNEZTFJY-AWEZNQCLSA-N 431.452 4.280 5 20 IIBD CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 603961112 FFZZNZZKVOODEA-JTQLQIEISA-N 425.413 4.274 5 20 IIBD COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 603961502 YXRTWAUMLFQXJT-JTQLQIEISA-N 426.397 4.102 5 20 IIBD O=C(CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(Br)cc1 604082506 CLQWFGZDJYDDJF-UHFFFAOYSA-N 441.669 4.161 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] 608802583 YILHACABITVPHD-AUUYWEPGSA-N 449.429 4.404 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)c(F)c1 608928162 XDBQJAJLUZATHU-UHFFFAOYSA-N 445.259 4.086 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)n(-c2ccccc2C(F)(F)F)n1 608963096 KMGPHFSKUIHGBZ-UHFFFAOYSA-N 448.357 4.131 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCCC[C@@H]1Cc1ccc(F)cc1 609187635 REMSQKCICCRMKW-GOSISDBHSA-N 441.459 4.046 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc3c(cnn3C(C)C)c2)ccc1[N+](=O)[O-] 609763521 AKILTOLCFDBYIM-NRFANRHFSA-N 435.484 4.077 5 20 IIBD O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1 609861948 XCMLIJVOGJCADA-UHFFFAOYSA-N 430.892 4.315 5 20 IIBD O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 610185527 GXGNPIXXULIOLX-UHFFFAOYSA-N 428.297 4.454 5 20 IIBD CCCCNC(=O)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 611202506 JRUGRRSSONOSKL-MRXNPFEDSA-N 433.574 4.398 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)c1ccc(OC(F)F)cc1 725985368 RZNKVZOUWGPMEC-SECBINFHSA-N 444.184 4.387 5 20 IIBD O=C(NCCc1ccccc1)c1ccc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1 727708499 UMZXUDINNVGNQD-UHFFFAOYSA-N 425.391 4.098 5 20 IIBD O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CCC[C@H](C2OCCO2)C1 728077985 VLRVOHSPBPHIHD-KRWDZBQOSA-N 445.903 4.085 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)C[C@H](c2ccccc2)C(F)(F)F)c([N+](=O)[O-])c1 728655468 VTDCPHDOLZLFIY-SWLSCSKDSA-N 440.374 4.210 5 20 IIBD Cc1cc(C(=O)OC[C@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])cc(C)c1OC(F)F 730929741 QMEZMFRQPJYYBP-MRXNPFEDSA-N 448.422 4.275 5 20 IIBD C[C@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)N1C(=O)OC(C)(C)C 733116394 GHZYPOLOQILMCK-KBPBESRZSA-N 446.529 4.188 5 20 IIBD Cc1ccc(C(=O)N[C@@H](C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)C(C)C)cc1 735443893 IRBZOBJTOVQLFC-HXUWFJFHSA-N 437.452 4.056 5 20 IIBD CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)Oc1cc([N+](=O)[O-])c(Cl)cc1C 735644215 LMNDPGSUJSSIFJ-INIZCTEOSA-N 432.860 4.166 5 20 IIBD COc1ccc(Cn2c(-c3ccc([N+](=O)[O-])cc3)noc2=O)cc1SC(F)(F)F 741853521 WQTLRRFQOJPECW-UHFFFAOYSA-N 427.360 4.080 5 20 IIBD Cc1ccnc(Oc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc2C)c1 742031620 VUPYDBPDNRPGAQ-UHFFFAOYSA-N 444.425 4.108 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@@H](C)CC(=O)c3cccc(F)c3)CC2)ccc1[N+](=O)[O-] 744175289 RKULVHHIAZHBCX-HNNXBMFYSA-N 444.459 4.164 5 20 IIBD CCOc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 744554955 ZPVBJAWAJRGXBQ-MRXNPFEDSA-N 441.484 4.168 5 20 IIBD C[C@@H](OC(=O)c1cnc2ccccc2c1C(F)(F)F)C(=O)Nc1ccccc1[N+](=O)[O-] 744572057 CUPJOUIIAUIAIL-LLVKDONJSA-N 433.342 4.346 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)OCc2csc(CC(=O)Nc3ccccc3C)n2)c1 745385842 KHDRMCPKKUATRO-UHFFFAOYSA-N 425.466 4.206 5 20 IIBD CN(C)Cc1ccc(CN(C)C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 750655117 SCVIZDJVVDGESZ-UHFFFAOYSA-N 438.450 4.136 5 20 IIBD O=C(NC1CCN(C2CCCC2)CC1)c1cc(Br)cc([N+](=O)[O-])c1Cl 750892300 DDJBKBDGRAQLBX-UHFFFAOYSA-N 430.730 4.148 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccccc1 751073532 UZSZYEUEHJYMNQ-KRWDZBQOSA-N 435.274 4.170 5 20 IIBD CCCOC(=O)c1cc(Br)ccc1NC(=O)c1ccc([N+](=O)[O-])c(OC)c1 751112662 MUGPVGXUPHTBFW-UHFFFAOYSA-N 437.246 4.185 5 20 IIBD COC(=O)c1occc1CN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1ccccn1 751127879 IBCXXZQEUVCPPN-CLOOOTJHSA-N 435.436 4.173 5 20 IIBD CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)OC(=O)c1c(F)ccc([N+](=O)[O-])c1F 752564690 ZUPFJQGYFXEDPQ-SNVBAGLBSA-N 432.335 4.006 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N[C@@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] 752923007 ASCCXUJSTWBTJK-BQFCYCMXSA-N 434.537 4.299 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1c(F)cc(Br)cc1F 756602436 GFPKUVVTAPULJB-UHFFFAOYSA-N 440.156 4.043 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)Nc1ccc2nc(N3CCOCC3)sc2c1 757193987 YMXVMKWTHMNMIX-UHFFFAOYSA-N 447.904 4.016 5 20 IIBD CC(=O)c1ccccc1C(=O)O[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 757497403 ZFBYUDIVIIAPNQ-CYBMUJFWSA-N 439.449 4.105 5 20 IIBD C[C@H](OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1nnc(-c2ccc(Cl)cc2Cl)o1 758008900 ATUTZWXJDQPIDX-VIFPVBQESA-N 440.243 4.188 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1(c2cccc(F)c2)CCOCC1 760504115 MLGGJJZQLCTQAD-UHFFFAOYSA-N 426.400 4.181 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760506035 XCUGBMINLBQNGV-LLVKDONJSA-N 447.787 4.322 5 20 IIBD CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)CC2 762456271 HCQOLWDUXIREKU-HOCLYGCPSA-N 435.496 4.012 5 20 IIBD CCOC(=O)Nc1ccc(Br)cc1NC(=O)c1ccc(NC)c([N+](=O)[O-])c1 765357009 WMZCQHXCSNTCRO-UHFFFAOYSA-N 437.250 4.220 5 20 IIBD CC(C)c1cc(=O)oc2cc(OS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc34)ccc12 766458154 DZHNPBJNDKBRSB-UHFFFAOYSA-N 440.433 4.141 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cccc(-c2ncc3n2CCCC3)c1 767093591 YIDPAEVXHZQAOJ-UHFFFAOYSA-N 435.440 4.274 5 20 IIBD CC(=O)[C@@H](Cc1cccc(Cl)c1F)OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 768650836 YESJLNHGHMXRRM-MRXNPFEDSA-N 438.795 4.269 5 20 IIBD Cn1cc([C@H](O)C[C@H]2CCCN2Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cn1 770389698 ZXQFBCSIWIXLSK-DENIHFKCSA-N 440.475 4.348 5 20 IIBD CCc1cc(N2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 771931375 QCGOKBQLBDETPT-QAPCUYQASA-N 441.532 4.496 5 20 IIBD CC(C)(O)c1ccc(CNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cc1 773911260 RQGDORIDWZUBKN-UHFFFAOYSA-N 449.294 4.245 5 20 IIBD O=C(O)C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(Cl)c1 776677125 KNBUEAUMFMYWJN-OAHLLOKOSA-N 431.857 4.318 5 20 IIBD COc1ccc(Cl)c(NS(=O)(=O)c2cc([N+](=O)[O-])c(Br)cc2C)c1 777616540 JSZOXQOSHBUROM-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCC[C@](C)(O)c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 778014900 ZUEQFESPCATSRQ-XDHUDOTRSA-N 434.496 4.191 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 778221388 DNNRKFIPNJETOP-UHFFFAOYSA-N 447.419 4.126 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccnc(SC(C)(C)C)c2)c([N+](=O)[O-])c1 778863105 JOPQRVLLONDHBV-GFCCVEGCSA-N 433.486 4.073 5 20 IIBD CCOC(=O)CCCCCCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 780382271 FBJJBABMIMUHIV-UHFFFAOYSA-N 430.451 4.203 5 20 IIBD CC(C)(C)OC(=O)N1Cc2ccc(CNC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)cc2C1 781590507 PTISPJZKJWBDIO-UHFFFAOYSA-N 439.512 4.440 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCc1ccc(OC2CCCCC2)cc1 781626253 QVBRCMWFFFSTLF-UHFFFAOYSA-N 427.457 4.464 5 20 IIBD C[C@@H](OC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Cl)cc2n1C 781712367 HBUNXCILLPTTAR-LLVKDONJSA-N 432.820 4.280 5 20 IIBD O=C(Nc1ccc(N2CCC(O)CC2)cc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 784826285 SGOYOQDGBFNATA-UHFFFAOYSA-N 447.491 4.387 5 20 IIBD O=C(NCCn1c2ccccc2c2ccccc21)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 784995783 AWRORGJIEGAWIW-UHFFFAOYSA-N 436.855 4.111 5 20 IIBD COc1ccc(-c2nc(C(=O)OCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cs2)cc1OC 791546828 VVRKRVHNRJJEIZ-UHFFFAOYSA-N 445.409 4.001 5 20 IIBD O=C(Cc1ccc(Br)c(Cl)c1)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 792168439 DIWHVMJXGSRDCX-UHFFFAOYSA-N 429.610 4.205 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Oc1ccc2ccccc2c1Br 795061159 UZPIIKISQXRNEL-UHFFFAOYSA-N 438.255 4.287 5 20 IIBD COC(=O)[C@H]1CC[C@H](C(=O)O[C@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])CC1 797959820 YVCMDALPBVTMFN-IIAWOOMASA-N 442.306 4.068 5 20 IIBD CCc1nc(C)c([C@H](C)N(C)C(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2O)s1 798173784 YYQYFPKTVCZOOO-NSHDSACASA-N 449.920 4.300 5 20 IIBD COc1cc(C)c(NC(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2O)c(C)c1C 805295091 VWLJGLFRBYODRA-UHFFFAOYSA-N 430.848 4.326 5 20 IIBD COc1ccc(Cl)cc1N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 809817164 UTOSTGBCEDTPGE-UHFFFAOYSA-N 425.677 4.389 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@@H](Nc3ccccc3)C2)c(Cl)cc1Cl 809826529 JBZMDZIPBFIBEW-CYBMUJFWSA-N 430.313 4.167 5 20 IIBD Cc1ccccc1-n1ncc(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1C 914946082 WOUFNHLFZMYLKF-AWEZNQCLSA-N 442.859 4.235 5 20 IIBD CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)NC(=S)N1 916191904 FDHZKEWYEBTTQP-OAQYLSRUSA-N 449.488 4.391 5 20 IIBD COc1cc([C@@H](C)NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)ccc1OCCC(C)C 916448072 MASDCNLAWORPTO-MRXNPFEDSA-N 440.500 4.255 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCC(C(=O)c2ccc(C)cc2C)CC1 920256931 OFHNWVNZSNWVNN-UHFFFAOYSA-N 441.440 4.006 5 20 IIBD CCC(C)(C)NC(=O)[C@@H](C)OC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 920543626 FRKKJMNUYVFIKO-HUUCEWRRSA-N 428.489 4.013 5 20 IIBD CCN(Cc1cc(Br)ccc1F)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 921266762 HOTFFXBGDHVKCI-UHFFFAOYSA-N 429.217 4.063 5 20 IIBD C[C@@H](NC(=O)NCc1ccccc1CNC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 1251478492 COCQEVQXBYJPSE-OAHLLOKOSA-N 428.489 4.180 5 20 IIBD O=C(COC(=O)c1nc(-c2ccccc2)oc1C1CC1)Nc1cc([N+](=O)[O-])ccc1F 1320013773 PMUVTZRJRCNTFX-UHFFFAOYSA-N 425.372 4.062 5 20 IIBD COc1ccc(CSCc2nnc(-c3nnc(-c4ccccc4)o3)o2)cc1[N+](=O)[O-] 1341587901 ZIXXPGYWLKYCHI-UHFFFAOYSA-N 425.426 4.137 5 20 IIBD COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)C4=CCCC4)CCC3)cc2)c([N+](=O)[O-])c1 1790570742 IQNKDZKWTODJAL-UHFFFAOYSA-N 449.507 4.390 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@H]3C[C@@]3(F)Cl)CCC2)cc1)c1ccc([N+](=O)[O-])cc1F 1790624133 BTLJNGMPGWMZCP-IERDGZPVSA-N 449.841 4.406 5 20 IIBD Cc1cc(CCCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@]2(C)C[C@H]2C)c([N+](=O)[O-])cc1F 1799942766 MUAKOUUVIOXTSA-COYHTZKBSA-N 445.535 4.049 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc2ccoc2c1 1800526348 LRBARWOELUJXML-REPLKXPHSA-N 437.427 4.046 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1)c1ccc(Cl)s1 1816396882 UCULJCPAKKJRLH-LLVKDONJSA-N 449.876 4.246 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2C2CC2)CC1 1824073529 YECKFMJTAMELLO-ONTIZHBOSA-N 443.519 4.013 5 20 IIBD CC(C)(C)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cc(F)ccc2[N+](=O)[O-])CC1 1826337419 IHLGARTVXXNZBF-FQEVSTJZSA-N 447.551 4.332 5 20 IIBD Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 10863722 CXUMTSBGLCEUPY-UHFFFAOYSA-N 436.395 4.069 5 20 IIBD COc1cc(C(=O)Nc2cccc(C(N)=O)c2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 12671037 PFNWIPIKKHSEMY-UHFFFAOYSA-N 441.827 4.400 5 20 IIBD COc1ccc(CCNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC 15739186 IBGBWXMPMYPLJP-UHFFFAOYSA-N 444.431 4.082 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)c1ccoc1 16157141 UXGBQNCTOWAIFL-QGZVFWFLSA-N 445.225 4.487 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@@H](C)Sc1ccc(Cl)cc1 21610578 RAIYMIJQZVGUTM-VXGBXAGGSA-N 438.889 4.308 5 20 IIBD Cc1c(C(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)sc2nc3n(c(=O)c12)CCCCC3 22031173 BGKYBTFCBOGKDN-CYBMUJFWSA-N 427.482 4.319 5 20 IIBD CN(CC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1)Cc1cc([N+](=O)[O-])ccc1Cl 25022791 GZKZRACIJIDEAA-UHFFFAOYSA-N 438.915 4.477 5 20 IIBD COc1cc(C(=O)N[C@H](C)c2ccccc2OC(F)F)c([N+](=O)[O-])cc1OC(F)F 25299704 SESOHUGCXWUBIE-SECBINFHSA-N 432.326 4.297 5 20 IIBD COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CC(=O)Nc1ccccc1[N+](=O)[O-])CC2 25390723 CCFFQHBFHMJFFG-RUZDIDTESA-N 447.491 4.198 5 20 IIBD O=C(OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(C2SCCCS2)cc1 26628281 DCILDBURBRBUBW-UHFFFAOYSA-N 444.534 4.210 5 20 IIBD CC[C@@H]1CCCCN1C(=O)COC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 28831659 AHCMVEWPESEMQL-OAHLLOKOSA-N 449.554 4.459 5 20 IIBD COc1ccccc1CN(Cc1cccs1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C 30321068 SQFSCWMOIBBILS-UHFFFAOYSA-N 432.523 4.364 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCCOc2ccccc2OC)cc1 30881031 ZRMKXCSPJPJZKP-UHFFFAOYSA-N 438.436 4.213 5 20 IIBD COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)cc1 60365156 GRVAZUXSFNPINE-NRFANRHFSA-N 440.475 4.046 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC(c2cccc3ccccc23)CC1 60729651 LAOGXUKIUBAMJG-UHFFFAOYSA-N 433.464 4.101 5 20 IIBD CCCCOc1ccc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1OCC 61613519 XKVOESJUVBAYOG-UHFFFAOYSA-N 427.501 4.135 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN(c2nc3ccccc3s2)CC1 64457616 ABHUUOZVWKLKNL-AWEZNQCLSA-N 442.566 4.470 5 20 IIBD CCN1C[C@@H](CN(C)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)Oc2ccccc21 65087252 AKSVNVSPJONRSO-QGZVFWFLSA-N 438.509 4.078 5 20 IIBD COc1ccc(-c2ccc(CNCc3ccc(CN4CCCC4=O)cc3)o2)c([N+](=O)[O-])c1 237419539 XHMGUJVUHXZKMI-UHFFFAOYSA-N 435.480 4.276 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 302645808 MFNUQYXJZJQUFV-INIZCTEOSA-N 449.287 4.022 5 20 IIBD Cc1cc(OCc2ccccc2)ccc1NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 303696861 QUWYSULMPOZLEQ-KRWDZBQOSA-N 433.464 4.239 5 20 IIBD CCOc1cc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])cc1OC 303750466 LMZGXSSXJOBYGE-PKOBYXMFSA-N 441.528 4.127 5 20 IIBD Cc1ccc(CN[C@@H](Cc2csc(-c3ccccc3Cl)n2)C(=O)O)cc1[N+](=O)[O-] 426735422 FKMAIYPBPORTJG-KRWDZBQOSA-N 431.901 4.466 5 20 IIBD O=C(Nc1cccc(N2CCCC2=O)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 435837310 SHVXLYSRAYIBFT-UHFFFAOYSA-N 433.414 4.339 5 20 IIBD O=C(NCc1ccccc1OC(F)F)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 435947234 DCUWXDMOVGBJPP-UHFFFAOYSA-N 430.357 4.491 5 20 IIBD O=C1[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCCN1c1ccccc1Cl 437992023 YRFSKKPLFSQWSU-SFHVURJKSA-N 442.903 4.118 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1cccc(OC2CCCC2)c1 438653492 ZOYSSRYBYLEDFF-UHFFFAOYSA-N 425.485 4.292 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1 439519653 JXTIVXSJAXYVFD-UHFFFAOYSA-N 443.887 4.093 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 439875399 DMUAPYGZFHHNKS-GFCCVEGCSA-N 429.408 4.374 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](CC(F)(F)F)c1ccccc1C 440022010 YNWVAOSVBJMAHH-MRXNPFEDSA-N 439.390 4.050 5 20 IIBD COc1cc(OC)c2cc(CCCNC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 441303418 DHECCZAMSYAFBW-UHFFFAOYSA-N 440.500 4.260 5 20 IIBD Cc1cncc(N(Cc2ccccc2Br)C(=O)c2ccc([N+](=O)[O-])n2C)c1 441392824 DPMIYXVFHRUSBK-UHFFFAOYSA-N 429.274 4.246 5 20 IIBD COc1ccc(NC(=O)C(=O)Nc2cccc(COc3ccccc3)c2C)cc1[N+](=O)[O-] 441842137 IHVMZMAZLZSKKW-UHFFFAOYSA-N 435.436 4.068 5 20 IIBD COc1cc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])ccc1NC(N)=O 442635364 PFPMTORKCMYQHJ-UHFFFAOYSA-N 438.465 4.498 5 20 IIBD CCc1[nH]nc(C(=O)N(CC)[C@H]2CCSc3ccc(Br)cc32)c1[N+](=O)[O-] 444178742 CWQHTINJYCQECJ-ZDUSSCGKSA-N 439.335 4.342 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 444928441 GRZZQQCVRQQMRD-ZDUSSCGKSA-N 449.305 4.014 5 20 IIBD O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)c1sc(Br)cc1[N+](=O)[O-] 445177088 WIZZSTGKXVRKCA-SWLSCSKDSA-N 425.304 4.317 5 20 IIBD COc1cc(Cc2noc(-c3cc(F)ccc3Br)n2)c([N+](=O)[O-])c(OC)c1 445815138 HCVHWWCLVKYYQZ-UHFFFAOYSA-N 438.209 4.154 5 20 IIBD CC(C)OCc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c1 447007915 RRKQEEQZWSEINY-UHFFFAOYSA-N 429.292 4.083 5 20 IIBD CC(C)c1[nH]nc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)c1Br 461700921 AEBVCPXTWXRYRC-MRXNPFEDSA-N 425.308 4.092 5 20 IIBD O=C(COc1ccccc1)Nc1ccccc1OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 463262053 KHSKGQTUMFDNIK-UHFFFAOYSA-N 446.419 4.241 5 20 IIBD Cn1nc(-c2ccncc2)cc1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 463903503 ZOLVBQQPTYNLLZ-UHFFFAOYSA-N 437.403 4.140 5 20 IIBD O=[N+]([O-])c1ccc(OCc2nnnn2-c2ccccc2Br)c2ccccc12 464803088 USXQSUWUBAJRCD-UHFFFAOYSA-N 426.230 4.065 5 20 IIBD CCOc1cccc(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1OC(F)F 465012656 GJSYBNUORVMIHY-GFCCVEGCSA-N 426.441 4.392 5 20 IIBD CC(C)(NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1nc(C(F)(F)F)cs1 465315909 ZQQNODQAWHTVKT-UHFFFAOYSA-N 442.463 4.338 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O 466026928 AMSDNMHMBVKELY-IBGZPJMESA-N 444.919 4.364 5 20 IIBD O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1ccc(F)cc1[N+](=O)[O-] 466303574 VRTSIFHHYJTOEE-UHFFFAOYSA-N 426.366 4.231 5 20 IIBD COC(=O)c1cccc(NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])c1OC(C)C 466648823 OZABYYJWHWYSKC-UHFFFAOYSA-N 434.470 4.151 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC1(c2cccc(Cl)c2)CCCC1 468126374 ZGBXGTVIIAOUAA-QGZVFWFLSA-N 433.940 4.109 5 20 IIBD Cn1cc(C(=O)Nc2cc(Br)c(F)cc2F)c(-c2ccc([N+](=O)[O-])cc2)n1 468218145 HWGBMGHKKJLAIG-UHFFFAOYSA-N 437.200 4.288 5 20 IIBD CS(=O)(=O)c1cc(C(=O)N2CCCc3cc(-c4ccccc4)ccc32)cc([N+](=O)[O-])c1 472543459 CVFYKEJUXMAZMK-UHFFFAOYSA-N 436.489 4.258 5 20 IIBD C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 472617378 ISTCMSPQUXRYFA-DIFFPNOSSA-N 439.365 4.301 5 20 IIBD CC[C@H](NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)[C@H]1CN(Cc2ccccc2)CCO1 473816852 IPYMVMSAOYRSRC-PZJWPPBQSA-N 426.517 4.013 5 20 IIBD CC(C)CCn1c(=O)c2ccccc2n2c(SCc3ccc([N+](=O)[O-])cc3F)nnc12 476502752 HFSUVGGSHNJIGY-UHFFFAOYSA-N 441.488 4.430 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1cc(Cl)cc(C(F)(F)F)c1 477946763 QKPBKEAYMGWYJN-UHFFFAOYSA-N 436.173 4.289 5 20 IIBD CC(C)(C)OC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1 478172634 JMRWQSRJHMDRJN-MRXNPFEDSA-N 435.274 4.170 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H](CO)c1c(Cl)cccc1Cl 478470562 UQZNKONQYMQEDC-SFHVURJKSA-N 441.314 4.311 5 20 IIBD COc1ccc2[nH]cc(C3=CCN(S(=O)(=O)c4c([N+](=O)[O-])ccc(C)c4C)CC3)c2c1 480922239 ARMGODIDULVFJN-UHFFFAOYSA-N 441.509 4.180 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)cc1[N+](=O)[O-])c1ccccn1 481015778 PJOWLCFRAYGEBF-XPIZARPCSA-N 426.517 4.486 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H](N[C@@H]1CCSC1)c1ccccc1 481609904 PDXHUJLDJFILRD-CXAGYDPISA-N 436.331 4.132 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)NCc1nc(-c2cc3ccccc3o2)cs1 482892520 PWGIDUUUSHRLNA-UHFFFAOYSA-N 438.465 4.473 5 20 IIBD Cc1nc2cc(Cl)c(NC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)cc2s1 484706144 QNXYTTVGKUMMRL-UHFFFAOYSA-N 432.889 4.255 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(Cc2ccccc2Cl)CC1 486251858 OXHXJLIIDXJUFC-HNNXBMFYSA-N 427.892 4.177 5 20 IIBD O=C(Nc1nnc(CC(F)(F)F)s1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 486324225 OAJLZKLEKRSERX-UHFFFAOYSA-N 438.387 4.382 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@@H](C)c2nc(C3CCCCC3)no2)c(C)c([N+](=O)[O-])c1 486873174 KEOCLQWDKVEZNG-LBPRGKRZSA-N 431.449 4.003 5 20 IIBD CC(C)(NC(=O)NCCc1nc(-c2cccc(Cl)c2)no1)c1ccccc1[N+](=O)[O-] 489053080 VHKKKHLHIUYKQB-UHFFFAOYSA-N 429.864 4.075 5 20 IIBD Cc1nncn1-c1cccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1 497433692 KAUXKUVEMPNHKD-IYBDPMFKSA-N 434.500 4.219 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]1c1ccc2c(c1)OCCO2 498494426 MLWWVSCNDQUDEN-KRWDZBQOSA-N 431.876 4.109 5 20 IIBD CCCn1nccc1C1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 499675125 KKBTWBRBQWBOMG-UHFFFAOYSA-N 447.344 4.076 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N(CCO)Cc1ccc(Cl)c(Cl)c1 504047729 BXBBXYBNMVGXMM-UHFFFAOYSA-N 438.311 4.137 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCCc2cc3ccccc3s2)ccc1[N+](=O)[O-] 506533282 MFMJCDLGSJOTMM-HXUWFJFHSA-N 437.521 4.081 5 20 IIBD Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 508176887 NVWVMMXKWKHXRL-UHFFFAOYSA-N 433.299 4.024 5 20 IIBD CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 509517546 BWSAKUIXYAFHFO-UHFFFAOYSA-N 435.484 4.166 5 20 IIBD COc1cc(Cl)c(Br)cc1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 513009147 PCEGZYBBHWGRKJ-UHFFFAOYSA-N 427.682 4.334 5 20 IIBD C[C@H]1C[C@H](CCNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 513494813 JXZUXGDJXVEZOB-FPOVZHCZSA-N 433.556 4.386 5 20 IIBD CCN(Cc1cccc(Br)c1)C(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 522051440 XMANGUWFKOBVNJ-UHFFFAOYSA-N 430.258 4.273 5 20 IIBD CCN(CC)CCNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 522768761 KCYWUVFTNHBAAL-UHFFFAOYSA-N 438.887 4.321 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1N1CCOCC1 523552357 WCPNMVJIUURYCO-UHFFFAOYSA-N 432.908 4.229 5 20 IIBD COc1cc(C(=O)N2CCC[C@H]2c2ncc(-c3cccc(C)c3)[nH]2)cc([N+](=O)[O-])c1OC 525585741 MEOCHSQZXLBBJD-SFHVURJKSA-N 436.468 4.288 5 20 IIBD COc1ccc(NC(=O)CN2CCC[C@@H](c3nc4ccccc4s3)C2)c([N+](=O)[O-])c1 532624893 DVUCAFFUDFTCPL-CQSZACIVSA-N 426.498 4.031 5 20 IIBD CCc1ccc(N(Cc2ccc(C)s2)S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])cc1 532854571 JDQBFDLAILNPHM-UHFFFAOYSA-N 434.543 4.139 5 20 IIBD COCCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1cccc(C(F)(F)F)c1 533254898 RFVDVYSLOGXTHL-HNNXBMFYSA-N 439.434 4.286 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccnc2-c2ccccc2)c(Br)c1 533625442 MJMCSSCKBHPRPH-UHFFFAOYSA-N 434.271 4.220 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(NC(=O)C(C)C)c1 536489719 APMHLYHYEDIDAS-UHFFFAOYSA-N 445.497 4.097 5 20 IIBD O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 542888163 PWBIEDHCJYSPPS-GFCCVEGCSA-N 435.358 4.496 5 20 IIBD CCN1CCN(c2ccc(NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])c(C)c2)CC1 543118294 PVOSJOMDTZLMPQ-UHFFFAOYSA-N 448.976 4.429 5 20 IIBD Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NCCn1cc([N+](=O)[O-])cn1 543503205 GBCRRTOSGJOMGO-LLVKDONJSA-N 436.335 4.337 5 20 IIBD COc1cccc([C@@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc2Cl)c1 544706691 PFLCFRJZCRDMGS-OAQYLSRUSA-N 446.912 4.466 5 20 IIBD O=C(NCCC[C@H]1CCCCO1)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 544871274 BTTZOOCCTSJKAJ-OAHLLOKOSA-N 449.554 4.212 5 20 IIBD O=C(Nc1n[nH]c(-c2ccc(Br)cc2F)n1)c1c[nH]c2cc([N+](=O)[O-])ccc12 545487491 YBLVZSRCAAPFSQ-UHFFFAOYSA-N 445.208 4.015 5 20 IIBD O=C(c1ccccc1)N(Cc1noc(-c2ccc([N+](=O)[O-])cc2Br)n1)C1CC1 547139813 BNEIPLLNEPFDLF-UHFFFAOYSA-N 443.257 4.212 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 561275714 PNLFPPSPPLRFQU-OAQYLSRUSA-N 444.329 4.096 5 20 IIBD O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 563758736 BYIOZICITHHWCO-UXHICEINSA-N 428.876 4.101 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)CC[C@H]2c2ccccc2)cc1OC 569049672 ZWPJPQZECXHNFC-LPHOPBHVSA-N 428.485 4.242 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 572430880 UKUSXJUOQJKRCV-FQEVSTJZSA-N 438.402 4.277 5 20 IIBD Cc1cc(C(=O)NCC(=O)N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)ccc1[N+](=O)[O-] 573825404 NVPRLSKCHYFIMV-KRWDZBQOSA-N 449.429 4.058 5 20 IIBD O=C(NCCc1nnc2n1CCCCC2)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 574671126 KQENLPFHWXRFJH-UHFFFAOYSA-N 436.472 4.069 5 20 IIBD C[C@H](Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-])c1cc(F)c(Cl)cc1Cl 603472444 ABJBTPFDPVQUMG-VIFPVBQESA-N 436.292 4.464 5 20 IIBD Cc1nc(-c2ccc([C@@H](C)NC(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2)cs1 603717972 NVICTDGFLQHIEM-LLVKDONJSA-N 444.900 4.496 5 20 IIBD CCCNC(=O)c1ccc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1 604005921 MVMNXDYDVLRJOC-IAGOWNOFSA-N 438.528 4.469 5 20 IIBD O=C(NCc1cccc(NC(=O)C2CCCCC2)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 604457097 WLELNJAGIHIMQE-UHFFFAOYSA-N 447.495 4.229 5 20 IIBD CCc1cccc2c(C3CCN(C(=O)c4cc([N+](=O)[O-])cc5c4OCCO5)CC3)c[nH]c12 608958857 KBLLKCJWRJIDHZ-UHFFFAOYSA-N 435.480 4.430 5 20 IIBD COc1cc(C(=O)N2CCC(Oc3ccc(C)cc3)CC2)c([N+](=O)[O-])cc1OC(F)F 609729817 KRFTYHCUUFGYDH-UHFFFAOYSA-N 436.411 4.197 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 609751445 FFJCENAVYBGZGD-KRWDZBQOSA-N 448.470 4.395 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)N(CC(F)(F)F)c1ccc(Br)cc1 609832255 MUFGTTMPONYKGF-UHFFFAOYSA-N 433.180 4.332 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(OCc2ccc(F)cc2)CC1 611259951 XVGZJOKWQVYKCT-AWEZNQCLSA-N 435.883 4.396 5 20 IIBD C[C@H](C(=O)N1CCN([C@H](C)c2nc3ccccc3s2)CC1)c1ccc([N+](=O)[O-])cc1F 612444753 FFHJSMBGAFIODG-LSDHHAIUSA-N 442.516 4.353 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N[C@H]2CCc3cc(O)ccc3C2)cc1[N+](=O)[O-])c1ccccn1 618250282 VEMUSPXHOFQTDM-BEFAXECRSA-N 432.480 4.156 5 20 IIBD COc1cc(C(=O)OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)ccc1[N+](=O)[O-] 725947686 JUBAVDLSSJPMNY-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD C[C@@H](SCc1ccccc1)C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730705549 QCBJZJJWDPYHOA-AEFFLSMTSA-N 428.510 4.065 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(-c3cccc(OCc4cccnc4)c3)no2)ccc1-n1ccnc1 731804366 RUWBTKNTETUJNL-UHFFFAOYSA-N 440.419 4.472 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 735022102 OQLWWLOQORCQON-WJOKGBTCSA-N 440.525 4.165 5 20 IIBD O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)C1CCN(C(=O)CCc2ccccc2)CC1 735800843 NUOYTZAUZOGPIO-UHFFFAOYSA-N 430.888 4.163 5 20 IIBD CC(C)(C)C(=O)c1ccsc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 735801679 NKCFUBPAISDZFX-LLVKDONJSA-N 433.461 4.016 5 20 IIBD COCC[C@@H](Cc1cccc(Br)c1)C(=O)OCc1c(F)cccc1[N+](=O)[O-] 741370030 LKDDKEWUIMMZHR-AWEZNQCLSA-N 440.265 4.435 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCNC(=S)N[C@@H]1CCOc2ccccc21 741478608 KIXDGURUWIWVEP-CQSZACIVSA-N 440.447 4.013 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 741990837 ODUHDMQXJRLSAJ-RLFYNMQTSA-N 437.562 4.275 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N(c2cccc(O)c2)S(=O)(=O)c2ccccc2)c1 744193871 YZNDCHVAOCVVGN-UHFFFAOYSA-N 444.490 4.058 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)O[C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)cc1[N+](=O)[O-] 744769414 MNVVSOOXDPDPBR-LLVKDONJSA-N 446.803 4.357 5 20 IIBD Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 745440399 HBKWDBQWYKYFFU-CQSZACIVSA-N 442.859 4.235 5 20 IIBD CC(C)[C@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N1CCCC[C@@H]1C 747961637 HHSXVDDRZGAWMA-KSSFIOAISA-N 431.514 4.301 5 20 IIBD O=C(CNc1ccccc1[N+](=O)[O-])O[C@H](c1ccccc1)c1nc(-c2ccccc2)no1 749052231 FPRFYJRMFINQND-OAQYLSRUSA-N 430.420 4.390 5 20 IIBD O=C(Oc1ccc(Cc2ccccc2)cc1[N+](=O)[O-])c1nn(-c2ccc(F)cc2)ccc1=O 749063486 ZINDMHPRCLPGED-UHFFFAOYSA-N 445.406 4.090 5 20 IIBD CSc1cccc(NC(=O)[C@H](C)OC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 750963009 HCNNSEUQHUDNNM-JTQLQIEISA-N 439.287 4.263 5 20 IIBD CN(C(=O)COC(=O)c1cnn(C(C)(C)C)c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 753641809 OWHOVCLDFMXZGL-UHFFFAOYSA-N 436.468 4.033 5 20 IIBD Cc1c(Br)cc(C(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)cc1[N+](=O)[O-] 753658539 QZZKTJLIXXFLMX-OAHLLOKOSA-N 447.207 4.148 5 20 IIBD C[C@@H](C(=O)N1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1F 754415874 KENCMLYFTVIUOS-OAHLLOKOSA-N 449.523 4.476 5 20 IIBD COc1ccc([C@@H](C)CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1 755014115 LJRPJPCRHLSKDD-NSHDSACASA-N 425.254 4.429 5 20 IIBD COc1ccc(OC(F)F)c(CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c1 755028950 JMLIUTLQENSEFK-UHFFFAOYSA-N 446.204 4.289 5 20 IIBD CC(C)(C)OC(=O)N1CCC(n2cc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])cn2)CC1 756239263 OGYRQCNQYMAXQG-UHFFFAOYSA-N 449.895 4.269 5 20 IIBD CC[C@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[C@H]1NC(=O)OC(C)(C)C 757033611 GUKLXSFKYKDEQX-AZUAARDMSA-N 448.564 4.252 5 20 IIBD CCOC(=O)c1sc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)nc1C(C)C 758023687 TVIXZCNVXGEKDY-UHFFFAOYSA-N 436.446 4.129 5 20 IIBD COCCN(C(=O)/C=C/c1ccc(Cl)nc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 759756627 FLNSAKHFMILBAR-YCRREMRBSA-N 444.900 4.460 5 20 IIBD O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 759794773 UBDZKHKGAWGOHL-UHFFFAOYSA-N 432.396 4.244 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(N2CCC[C@H]2C(C)C)c(F)c1 760436264 RRBHOXXCFIUFCE-MSOLQXFVSA-N 446.527 4.230 5 20 IIBD CC(C)[C@@H](NC(=O)OC(C)(C)C)c1noc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 762031755 PDAUXTOOKKFBIL-QGZVFWFLSA-N 431.493 4.467 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)cc1[N+](=O)[O-])c1ccccn1 762682255 OTBWZXCBBQFYPX-DIHFKTGWSA-N 444.582 4.272 5 20 IIBD CC(C)(C(=O)OCC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1F 762990787 UNPUQIZUBRCBHO-UHFFFAOYSA-N 444.337 4.092 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1SCCO)C(=O)Nc1ccc2ccccc2c1 763742632 BRBJOXFUNHNVLM-AWEZNQCLSA-N 440.477 4.016 5 20 IIBD COc1ccc([C@H](OC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)[C@@H](C)n2cccn2)cc1 764622234 VKHBEEMEKGUGHA-OPAMFIHVSA-N 447.451 4.145 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(N(C)C(=O)c2ccncc2)cc1 765068296 RUSJYKARGZCAEE-FQEVSTJZSA-N 446.507 4.152 5 20 IIBD C[C@H](c1ccsc1)N1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 765227380 AGYLTGPRJAOOKV-GFCCVEGCSA-N 439.335 4.330 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O 765874898 IAMHQZGJABMCMX-LFIBNONCSA-N 445.884 4.023 5 20 IIBD COC(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c(Cl)cc1Cl 766042671 LXTYPURKYMRVNT-UHFFFAOYSA-N 433.269 4.106 5 20 IIBD CC(=O)c1cccc(NC(=O)[C@H](OC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C(C)C)c1 766218990 DDOQEEKZSVAZDP-OAQYLSRUSA-N 435.436 4.166 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(Cc3nnc(-c4ccccc4)s3)CC2)c(C(F)(F)F)c1 766758541 UIAOJTIVLHLYMC-UHFFFAOYSA-N 449.458 4.454 5 20 IIBD CC[C@H](OC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1c(F)cccc1Cl 766822738 YDXFKPQQLAXGTI-INIZCTEOSA-N 434.807 4.349 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccccc2NC(=O)C[C@H]2C=CCC2)cc([N+](=O)[O-])c1F 768271674 FSYBWRMQVDRQON-AWEZNQCLSA-N 433.461 4.138 5 20 IIBD C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H](O)c1c(F)cccc1Cl 771028530 ONIOERPHHFBFNY-AYVTZFPOSA-N 431.645 4.002 5 20 IIBD C[C@H]1C[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCN1C(=O)OC(C)(C)C 772376088 FXBLJFHFHGMGNQ-FUHWJXTLSA-N 434.537 4.005 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCn2c(cc3ccc(Cl)cc32)C1 772894498 YDYCXFJYSGKSQO-UHFFFAOYSA-N 428.832 4.086 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 773239608 LRHBRTVGEFGHJH-INIZCTEOSA-N 441.440 4.435 5 20 IIBD COc1ccc(CC(=O)Oc2cccc(CNC(=O)Nc3ccccc3)c2)cc1[N+](=O)[O-] 774491613 NLTJFPXHQADEPB-UHFFFAOYSA-N 435.436 4.073 5 20 IIBD CC(C)(O)c1ccc(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cc1 775217065 APAWCZYKGKZCQS-UHFFFAOYSA-N 427.682 4.168 5 20 IIBD CN(C)CC1CCN(c2ccc(NC3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2)CC1 777697672 YOGPANACAOWPDX-UHFFFAOYSA-N 437.588 4.454 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@](O)(c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 777735263 YKNFCYNQEMJFOM-UKILVPOCSA-N 449.482 4.316 5 20 IIBD COc1ccccc1OCc1ccc(C(=O)O[C@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)o1 778790072 UVGNGBDMIVHVJF-SFHVURJKSA-N 438.436 4.211 5 20 IIBD C[C@@H]1[C@@H](C)N(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCN1C(=O)OC(C)(C)C 780998771 FPODMBJYCVUHEX-HZPDHXFCSA-N 435.524 4.151 5 20 IIBD O=C(OCC(=O)N(Cc1ccccc1)C1CC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 781261504 WIVCVYVIGISAKB-UHFFFAOYSA-N 426.472 4.029 5 20 IIBD O=C(NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1)c1cc(F)c([N+](=O)[O-])cc1F 787537588 POUOLCLEFHRWGL-GOSISDBHSA-N 440.402 4.130 5 20 IIBD C[C@H](NCC1(c2cccc(Br)c2)CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 788641294 JKCFJQROURCVCL-AWEZNQCLSA-N 434.334 4.339 5 20 IIBD O=[N+]([O-])c1ccc(OCc2nc(Cc3c(F)ccc(Br)c3F)no2)cc1F 789876713 HZOQJYUZRYKGAK-UHFFFAOYSA-N 444.163 4.327 5 20 IIBD O=C1[C@@H](c2ccccc2)N(Cc2ccccc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 789906758 CLDFYUXLVZPLIS-OAQYLSRUSA-N 446.419 4.209 5 20 IIBD C[C@@H](CCc1ccc(I)cc1)NC(=O)c1cc(F)ccc1[N+](=O)[O-] 794130572 QCXPSLHXKVXPMI-NSHDSACASA-N 442.228 4.090 5 20 IIBD Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1I 794214372 UCAKSYLNEWPHAQ-UHFFFAOYSA-N 448.220 4.150 5 20 IIBD O=C(CCN[C@@H](CCO)c1ccc(Cl)c(Cl)c1)Nc1cc([N+](=O)[O-])ccc1F 796429335 KHBMYVDHAHKCSB-INIZCTEOSA-N 430.263 4.083 5 20 IIBD COc1ccc(-c2nc(C)c(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)s2)c(F)c1 800316393 CELUJDIUUMXTSF-UHFFFAOYSA-N 430.413 4.214 5 20 IIBD CC1CCN(c2ccc(C(=O)N(C)CCc3ccccc3[N+](=O)[O-])cc2[N+](=O)[O-])CC1 803408310 DXSDHBSAOIAGJB-UHFFFAOYSA-N 426.473 4.054 5 20 IIBD CC1(S(=O)(=O)NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CC1 806025493 IEQMGLZDDNPAAG-UHFFFAOYSA-N 426.903 4.012 5 20 IIBD O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 808479775 ZJHIQNOTYQTVBG-UHFFFAOYSA-N 437.437 4.080 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(-c2cccc(N3CCOC3=O)c2)no1 809417095 UWZDCNREUXTIOM-UHFFFAOYSA-N 445.229 4.339 5 20 IIBD O=C(NC[C@@H]1CCCCN(Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1Br 810982098 LHLGLWRYUBBLGC-KRWDZBQOSA-N 446.345 4.389 5 20 IIBD O=C(OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccc(S(=O)(=O)C(F)F)cc1 811031589 UDYHHIOMYRKWDV-UHFFFAOYSA-N 440.207 4.255 5 20 IIBD CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)nnc1-c1cccc(C)c1 825488063 OSQXGNRMQIGDRV-UHFFFAOYSA-N 433.440 4.191 5 20 IIBD CN(Cc1nc(O)c2ccccc2n1)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 906852352 DMMMPMXSABPNIF-UHFFFAOYSA-N 443.463 4.128 5 20 IIBD Cc1c(C(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 915294805 NPLLLIZDYJLCTC-OAHLLOKOSA-N 436.424 4.276 5 20 IIBD CCOc1ccc(-c2nc(COC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cs2)cc1 916426609 NIMOHEXVSCXXHU-UHFFFAOYSA-N 429.410 4.382 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCc1cccnc1OCC(F)(F)F 917059666 COASFJIXYGGJGX-UHFFFAOYSA-N 440.256 4.470 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(Cl)nc1 917089207 GAWGXMKGHBYCNY-UHFFFAOYSA-N 448.888 4.065 5 20 IIBD COc1ccc(/C=C2\N=C(c3ccoc3C)OC2=O)cc1OCc1ccc([N+](=O)[O-])cc1 917416955 QNQIXTYXAHPDKV-ODLFYWEKSA-N 434.404 4.428 5 20 IIBD COc1ccccc1[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)NC(=O)OC(C)(C)C 917729922 XGUPTFPPAWKQLQ-KRWDZBQOSA-N 449.891 4.253 5 20 IIBD COc1ccc(COC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(Br)c1OC 917958177 ZBPIVCDIUTUMOQ-UHFFFAOYSA-N 430.638 4.385 5 20 IIBD Cc1c(C(=O)OCC(=O)N[C@H](c2ccccc2)C2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 919227848 RCQCBVQPHVZGJL-OAQYLSRUSA-N 441.440 4.016 5 20 IIBD Cc1ccc(C(=O)Nc2cccc(CNC(=O)N3Cc4ccc([N+](=O)[O-])cc4C3)c2)cc1 1318775687 DLGKUBJKOXRMCY-UHFFFAOYSA-N 430.464 4.381 5 20 IIBD COc1cc(C(=O)Nc2ccc(C3(NC(=O)C4(F)CCC4)CCC3)cc2)ccc1[N+](=O)[O-] 1792165405 JSZDHYZDURQBNO-UHFFFAOYSA-N 441.459 4.243 5 20 IIBD Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H]2CC=CCC2)C3)cc(Cl)cc1[N+](=O)[O-] 1800711842 XZOJZOMHWPKWBO-OWLYRPNTSA-N 431.920 4.165 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H]1C[C@@H]2CC[C@H]1C2 1801728447 RGQIHPVGUMYZSU-MJJLTSLDSA-N 443.519 4.120 5 20 IIBD CC(C)(C)CC(=O)N1CCC2(CCCN(C(=O)Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 1805480758 XRIUJJWKGRYCOK-UHFFFAOYSA-N 449.979 4.458 5 20 IIBD Cc1ccsc1C(=O)N1CCCC2(CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)CC2)C1 1808074416 XGUJAJHTXUZUQJ-HWKANZROSA-N 443.525 4.116 5 20 IIBD Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)CC(C)C)CC2)cc1[N+](=O)[O-] 1826342718 OIUSZKQKIKLCEE-OAQYLSRUSA-N 429.561 4.112 5 20 IIBD O=C(OCc1nnc(-c2ccccc2Br)o1)c1cc(Cl)ccc1[N+](=O)[O-] 3471360 QRFFGSCNGCZNBT-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD C[C@@H](Sc1nnc(NCCc2ccccc2)s1)C(=O)Nc1ccccc1[N+](=O)[O-] 10776089 DARMJVSENOZFCN-CYBMUJFWSA-N 429.527 4.220 5 20 IIBD C[C@H](OC(=O)c1cc(Br)ccc1Cl)C(=O)Nc1ccccc1[N+](=O)[O-] 11481532 YHAYPPLPWMQCOK-VIFPVBQESA-N 427.638 4.195 5 20 IIBD COc1ccc(OCC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccco2)c([N+](=O)[O-])c1 14351134 NHFKNXBXKQGOKB-IBGZPJMESA-N 435.436 4.262 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 15409408 UWAIFKRULFAJSG-MRXNPFEDSA-N 431.514 4.027 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1cccc(I)c1 21184553 IXXSORJJHOUISG-UHFFFAOYSA-N 425.226 4.030 5 20 IIBD Cc1ccc(Oc2ccc(OCC(=O)OCC(=O)Nc3ccccc3[N+](=O)[O-])cc2)cc1 26447127 MFQXOOZFHMRPQV-UHFFFAOYSA-N 436.420 4.256 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Sc2nc3cc4ccccc4cc3c(=O)n2C)c(OC)c1 26580911 KKEDYBCFVCJLNQ-AWEZNQCLSA-N 449.532 4.223 5 20 IIBD CCc1cc(NC2CCN(C(=O)C(CC)CC)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 64914849 RCNYXKZMLZCGEG-UHFFFAOYSA-N 425.533 4.453 5 20 IIBD Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 107907105 JOCUMVFDKNMTOY-UHFFFAOYSA-N 436.512 4.284 5 20 IIBD O=C(Nc1ccc(Cl)cn1)C1CCN(c2ccc([N+](=O)[O-])cc2OC(F)F)CC1 302175593 WUCAQUAWYKJSRU-UHFFFAOYSA-N 426.807 4.100 5 20 IIBD O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 303635319 PMQJNNAQOYKYDO-YTTGMZPUSA-N 446.488 4.341 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(I)cc1Cl 318518012 HSWTYNBVJZXBCY-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD Cc1ccc(CNC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(O[C@H](C)CC(C)C)c1 426017573 CNWWJHJUQPNOKZ-GOSISDBHSA-N 443.548 4.460 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 426191694 MBWNDAZFYRMQDC-UHFFFAOYSA-N 428.247 4.416 5 20 IIBD COc1cccc([C@@H](CC(=O)O)NCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)c1 426797844 GVRYVECXWDTDBP-LJQANCHMSA-N 426.425 4.178 5 20 IIBD CC(C)c1oc([C@@H]2CCCN2C(=O)NCCn2cc([N+](=O)[O-])cn2)nc1-c1ccccc1 426985394 WULDZCSSULBDIF-SFHVURJKSA-N 438.488 4.116 5 20 IIBD Cc1ccc(-c2[nH]nc(NC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])c2C)o1 429217064 RQVQCSRAQDRRPA-UHFFFAOYSA-N 432.436 5.026 5 20 IIBD CN(Cc1csc(Br)c1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] 429821150 NGQMCANQHHZYDU-UHFFFAOYSA-N 434.109 4.454 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N(Cc1cccs1)C[C@@H]1CCCO1 429971738 XVYMVGJREQYBEH-ZDUSSCGKSA-N 425.304 4.240 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 431782384 ORFDYIYPVNPOBA-MRXNPFEDSA-N 425.666 4.224 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(CN[C@@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)cc2)C[C@@H](C)O1 433173755 LIQNMHDEUKBNHY-SAHWJRBASA-N 437.540 4.356 5 20 IIBD COc1ccc(Cc2nnc(SCc3nc4cc([N+](=O)[O-])ccc4o3)o2)cc1OC 434803376 PGAIHIVAXTXKGV-UHFFFAOYSA-N 428.426 4.019 5 20 IIBD CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 435810330 SJNHPFPLYUDZAE-LJQANCHMSA-N 437.496 4.040 5 20 IIBD O=C(NCCCn1cnc2ccccc21)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 435832585 AKXLBBXQLGECLY-UHFFFAOYSA-N 432.430 4.129 5 20 IIBD CO[C@H]1CCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 441460853 VPBYICDHQAXNDX-VGSWGCGISA-N 434.496 4.016 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1CCOC[C@@]12CCOC2 441486413 JIQCOTQBXLUXRJ-FQEVSTJZSA-N 434.901 4.031 5 20 IIBD COc1cccc(COc2cccc(NC(=O)C(=O)Nc3cccc([N+](=O)[O-])c3C)c2C)c1 441943824 UUNYOQIUSLFHQS-UHFFFAOYSA-N 449.463 4.376 5 20 IIBD CCC[C@@H](NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)C(=O)OC(C)(C)C 444329365 VVVBBXCIAVEPRK-QGZVFWFLSA-N 430.451 4.200 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccc(OC[C@@H]2CCCO2)cc1 445816328 VOCNVTBWALZMEK-KRWDZBQOSA-N 435.274 4.096 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F 446361208 YVQJINITNLAJKF-OAHLLOKOSA-N 445.760 4.366 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N[C@@H](c1ccccc1)c1cccc(F)c1 446886766 JTHOMBBRFNPOBU-NRFANRHFSA-N 441.846 4.023 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N1CCc2sccc2[C@@H]1c1cccs1 446893454 SVZGTVMIXSBNQR-LJQANCHMSA-N 439.522 4.451 5 20 IIBD O=C(Nc1cccc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1)c1cccc(F)c1 447530641 OVKPAEXGKICFSJ-NHCUHLMSSA-N 437.475 4.456 5 20 IIBD COc1ccccc1[C@H](CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)N1CCCCC1 447541769 MZIBDYDRCMRFLW-NJYVYQBISA-N 427.549 4.100 5 20 IIBD O=C(N=c1nc(Cc2ccc(F)cc2F)[nH]s1)c1c([N+](=O)[O-])cccc1C(F)(F)F 448341594 LKECIPDBFQRXLG-UHFFFAOYSA-N 444.341 4.008 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C)c1sc(-c2ccccc2)nc1C 461964536 KPUINONKPIXPNB-BBRMVZONSA-N 442.545 4.137 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C(=O)N2CCSCC2)c1C 462513024 RGHVWBPVNPOUKK-SFHVURJKSA-N 441.553 4.300 5 20 IIBD Cc1cc(=NC(=O)c2cccc(NC(=O)c3cccs3)c2)c2cc([N+](=O)[O-])ccc2[nH]1 462582454 SUOKPBDCXBJEEY-UHFFFAOYSA-N 432.461 4.439 5 20 IIBD COc1ccc(CNC(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)cc1[N+](=O)[O-] 463340257 OYTAXWFJSDQHSK-KOMQPUFPSA-N 434.290 4.111 5 20 IIBD CCC(CC)(CNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccccc1 464678111 CXELKZJRCRCVMZ-UHFFFAOYSA-N 425.485 4.157 5 20 IIBD Cc1nn(CCC(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)c(C)c1[N+](=O)[O-] 466288024 QCFURUHVAHOSMB-MRXNPFEDSA-N 439.285 4.064 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1)c1cccc([N+](=O)[O-])c1 466950469 IIRWSRIBJRSQPN-OAHLLOKOSA-N 444.447 4.143 5 20 IIBD CCOc1cc(C(=O)Nc2cc(Br)c(F)cc2F)c([N+](=O)[O-])cc1OC 467041847 YBVXEQZXYFGJSK-UHFFFAOYSA-N 431.189 4.295 5 20 IIBD CC(C)OC(=O)C[C@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1ccccc1 471258603 RPLBVOVVJUXWFZ-IBGZPJMESA-N 436.468 4.054 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)cc1OC 474134665 JLZYRXJDCFBEAC-UHFFFAOYSA-N 438.402 4.483 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 475208872 KJNBHLVKXRKQBI-MRXNPFEDSA-N 431.317 4.497 5 20 IIBD Cc1c(CS(=O)(=O)CC(=O)N[C@H](c2ccccc2)C2CCCCC2)cccc1[N+](=O)[O-] 476642418 ZVAAHCXHDKNUMY-HSZRJFAPSA-N 444.553 4.256 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)c1[N+](=O)[O-] 478157819 LFMOFPJTZRHKTG-UHFFFAOYSA-N 431.539 4.390 5 20 IIBD Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 479710694 BSDVQAXMTAVZMB-UHFFFAOYSA-N 447.495 4.213 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]1c1nc2ccccc2n1C(C)C 481453808 WWVVZQZNEAOZJV-IBGZPJMESA-N 428.514 4.360 5 20 IIBD Cc1cc2sc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Br)nc2cc1F 481884232 VFQJYLZPOBLURZ-UHFFFAOYSA-N 446.279 4.215 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)c(Cl)cc2OC)cc1OC 485923850 KOZMOMKPIPPQRY-UHFFFAOYSA-N 445.255 4.196 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCC[C@H](Oc2ncccc2F)C1 486001648 HBLGGARPIVOASU-JTQLQIEISA-N 436.312 4.226 5 20 IIBD C[C@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1cnn(Cc2ccccc2)c1 486455057 ASBCRRFGXHQAEO-NSHDSACASA-N 435.303 4.155 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3C[C@H](C(N)=O)Cc4ccccc43)cc2[N+](=O)[O-])cc1 487091596 RVBBGQTUDFMXIK-GOSISDBHSA-N 447.516 4.359 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 488514675 NVTPMYDULLBWIP-ZDUSSCGKSA-N 428.514 4.482 5 20 IIBD Cc1nc(C(C)(C)C)sc1C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 488900819 YVOAQOAXYYEOMS-OAHLLOKOSA-N 433.530 4.470 5 20 IIBD CCn1c(S[C@H](C(=O)NC2CC2)c2ccc(F)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 489388181 MKRNIZHIIHEBRC-SFHVURJKSA-N 441.488 4.124 5 20 IIBD CCn1c(SCC(=O)N[C@H](C)Cc2ccccc2C)nnc1-c1ccc([N+](=O)[O-])cc1 489393098 NVTNIXLUMGNVGG-MRXNPFEDSA-N 439.541 4.021 5 20 IIBD O=C(NCc1ccnc(OCc2ccccc2)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 489805549 HRUIFASFCNPGEG-UHFFFAOYSA-N 432.480 4.443 5 20 IIBD O=[N+]([O-])c1ccc(CN(Cc2noc(Cc3ccc(Br)cc3)n2)C2CC2)cc1 490849418 YCRQPIPSCWBSRW-UHFFFAOYSA-N 443.301 4.496 5 20 IIBD CCOC(=O)[C@H]1CCCc2sc(NC(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)nc21 493694315 YGDMHFWOJWQYAX-VIFPVBQESA-N 443.403 4.305 5 20 IIBD CCOc1cc(NC(=O)N[C@@H](C)[C@H]2OCCc3sccc32)c([N+](=O)[O-])cc1OCC 494968194 BOWLPLIHMMYDPD-HXPMCKFVSA-N 435.502 4.278 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(C(=O)N2CCc3ccccc32)cc1 498462022 HUGWTRYIXBXHMO-UHFFFAOYSA-N 431.448 4.205 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCC[C@@H]3[C@@H]3C[C@@H](C)CC[C@H]3O)cc2[N+](=O)[O-])CC1 500349401 QZZNTLDYDVWDMW-GXJJEBCYSA-N 429.561 4.233 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCC1(c2ccc(Cl)cc2)CCOCC1 500846477 IWYPVQOJFJAFQL-UHFFFAOYSA-N 427.888 4.068 5 20 IIBD C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 502847994 XJHUXFAABFOSJV-CQSZACIVSA-N 449.429 4.486 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 503945322 KNYJAARZNJKSCJ-UHFFFAOYSA-N 437.836 4.053 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@@H]2c2c(C)nn(-c3ccccc3F)c2C)c1 504354991 GJDOGHOHWTUMOD-OAQYLSRUSA-N 438.459 4.059 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(N2CCCCCC2)cc1C 507442450 KNYMEQIOAAPOIC-UHFFFAOYSA-N 440.500 4.260 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1nc2ccccc2n1C1CCCCC1 508019493 UOGOHHIXAVUZQS-OAHLLOKOSA-N 435.484 4.207 5 20 IIBD O=C(Nc1ccnc(Oc2ccccc2)c1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 511345820 RQCVXQARHXDOLJ-INIZCTEOSA-N 438.465 4.087 5 20 IIBD COc1ccc(-c2ccc(CN3CCC(NC(=O)c4ccsc4)CC3)o2)c([N+](=O)[O-])c1 511836761 AHBHSDKCFQDAML-UHFFFAOYSA-N 441.509 4.319 5 20 IIBD CCc1c[nH]ccc1=NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 511890385 VOFRJQZEMLXVMM-UHFFFAOYSA-N 427.464 4.008 5 20 IIBD CCc1nocc1CN(C)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 512032004 CYSTXDYAACOMHK-UHFFFAOYSA-N 440.422 4.039 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@@H](c3ccco3)N3CCCC3)cc2[N+](=O)[O-])C1 512532024 ZUDNUIKZPIZFOB-HMFYCAOWSA-N 440.544 4.237 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1coc(-c2ccc(Br)cc2F)n1 512997126 GRFOZMBWNJCWIA-UHFFFAOYSA-N 448.248 4.466 5 20 IIBD COCCN(C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])[C@H](C)c1ccccc1 514425242 ZOTOGEANMHPSHU-CQSZACIVSA-N 426.391 4.386 5 20 IIBD CNC(=O)CC[C@@H]1CCCCN1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 514972604 LQRMECIOLBGFRR-NRFANRHFSA-N 447.539 4.328 5 20 IIBD Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 515440623 ZYBNJPVSEIUSLC-UHFFFAOYSA-N 440.403 4.217 5 20 IIBD COc1ccc(Cl)cc1C1(CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CCOCC1 516321651 KTXVFPMPUDFPCM-UHFFFAOYSA-N 433.892 4.435 5 20 IIBD NS(=O)(=O)c1c(NCC2(c3cccc(C(F)(F)F)c3)CCCC2)cccc1[N+](=O)[O-] 516807293 DDTQMVGCVACREV-UHFFFAOYSA-N 443.447 4.185 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3ccccc3-n3cccn3)n2)c(Br)c1 517201749 TVUXJBUKIFLMDP-UHFFFAOYSA-N 426.230 4.184 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 518926326 GMLWJPBJSUMFJU-UHFFFAOYSA-N 425.411 4.138 5 20 IIBD Cc1cc(=O)c(C(=O)N2CCC[C@H]2c2ccccc2Cl)nn1-c1ccccc1[N+](=O)[O-] 520468078 MEZPQYYZGAZWQC-KRWDZBQOSA-N 438.871 4.080 5 20 IIBD Cc1cc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])ccc1C(=O)NC(C)C 521275150 SXBDGVPQNNNTNG-UHFFFAOYSA-N 439.390 4.235 5 20 IIBD CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 522159472 DNVOZDJFIGGYBX-PBHICJAKSA-N 439.603 4.163 5 20 IIBD COCCNc1ccc(CNC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1 522759230 PFYFOTTXURWEJL-HDICACEKSA-N 440.544 4.065 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCCN(CCCc2ccccc2)CC1 525353987 KPYUHCDRMGFTGN-UHFFFAOYSA-N 438.572 4.268 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc3cn(C(C)C)nc3c2)ccc1[N+](=O)[O-] 532268486 KFUFIXDZUUITNR-NRFANRHFSA-N 435.484 4.077 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@@H]3[C@@H]4CCO[C@H]4C34CCC4)cc2[N+](=O)[O-])n1 533140079 GDMXAYMSHOZMKL-IAOVAPTHSA-N 431.539 4.198 5 20 IIBD CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H](c1cccc(F)c1)c1cnn(C)c1 533311952 MIOPWTSSPFRACG-QHCPKHFHSA-N 435.459 4.386 5 20 IIBD CC(C)n1cc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)ccc2n1 533464522 ODDKDPGUHVBODS-UHFFFAOYSA-N 428.392 4.345 5 20 IIBD Cc1ccc2nc(COc3ccc(C(=O)NCCc4cccc([N+](=O)[O-])c4)cc3)cn2c1 534770157 CZNRMXJHBKCQLI-UHFFFAOYSA-N 430.464 4.102 5 20 IIBD C[C@@H](NC(=O)Nc1cnn(-c2ccccc2Br)c1)c1cccc([N+](=O)[O-])c1 535976797 AIBFXFVMNYGCOT-GFCCVEGCSA-N 430.262 4.426 5 20 IIBD Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1C 536010864 CSPHJZWNKDIPDB-KRWDZBQOSA-N 445.903 4.125 5 20 IIBD O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCO[C@H](c2ccc(Br)cc2)C1 536480574 JDGBUICTHKKIGX-KRWDZBQOSA-N 430.258 4.052 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2c(ncn2CCc2ccccc2)C1 537730973 QPIIGLOYSCBVIW-KRWDZBQOSA-N 436.537 4.100 5 20 IIBD CCOc1cc(CCCNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])ccc1OC 538331051 JPZCNIXPWSYYRP-UHFFFAOYSA-N 435.480 4.427 5 20 IIBD O=C(Nc1ccc(Cl)c(OC(F)F)c1)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 538368510 BYKXSLXGTDUMAZ-UHFFFAOYSA-N 441.803 4.371 5 20 IIBD O=C(NCc1cc(F)ccc1Br)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 539416145 SSMULBSSUXXNTE-UHFFFAOYSA-N 430.233 4.488 5 20 IIBD C[C@H](C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccc([N+](=O)[O-])cc1F 541732128 WUSBRWFQLSTIDO-BBRMVZONSA-N 439.409 4.247 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])NCc1cccc(NC(=O)c2ccc(F)cc2)c1 543141150 LMJMTKHSAQIKEV-UHFFFAOYSA-N 439.468 4.395 5 20 IIBD CCCCCn1nc(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)c2ccccc2c1=O 545670509 ZQFKTGOADVTVIN-UHFFFAOYSA-N 448.483 4.200 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccccc2C[S@@](C)=O)cc1[N+](=O)[O-])c1ccccn1 545817831 XBZCBYNBTNUCGA-PBNKOMEISA-N 438.509 4.294 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccn(C)n1 546526073 KVGLQSARLGIRCK-BLVKFPJESA-N 449.294 4.308 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 550832551 UOUOWMHGQMRNSD-UHFFFAOYSA-N 433.389 4.212 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccc(I)c(Cl)c1 552608591 TZKDWTSDMUHHRH-UHFFFAOYSA-N 444.656 4.168 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCc3cnn4ccccc34)cc2[N+](=O)[O-])n1 553375447 SKVOBYQKHVZJRJ-UHFFFAOYSA-N 425.495 4.089 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 557599835 WQZMKFOKBZRFCP-SFHVURJKSA-N 426.300 4.334 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@@H](c2ccc(Cl)cc2)C1 561651892 BOTUQPZOXWCIFZ-GOSISDBHSA-N 425.268 4.271 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 565628617 ZKHULXSYEAKKCH-HZPDHXFCSA-N 445.469 4.168 5 20 IIBD O=C(NC[C@H](OCC1CC1)c1ccc(Cl)cc1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 569835376 QEPXAOXCZZXKOV-FQEVSTJZSA-N 441.871 4.400 5 20 IIBD Cn1ccnc1[C@H](NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1cccc([N+](=O)[O-])c1 571588493 LXXDAOZPYLGEPZ-FGZHOGPDSA-N 439.947 4.498 5 20 IIBD Cc1c(NC(=O)N2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)cccc1[N+](=O)[O-] 571919356 RUZHNIGWZJOMDV-QGZVFWFLSA-N 425.363 4.407 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(Cc1nc(O)c3cc(-c4ccccc4)sc3n1)CCO2 580380980 IKOPUTVZPFJDOL-UHFFFAOYSA-N 434.477 4.367 5 20 IIBD NC(=O)c1ccc(N[C@H]2CCCc3c2[nH]c2ccc(Br)cc32)c([N+](=O)[O-])c1 581659637 RKDASEGHQMRHDC-INIZCTEOSA-N 429.274 4.427 5 20 IIBD COc1ccc(CN(C)C2C[C@@H]3CC[C@H](C2)N3C)cc1OCc1ccc([N+](=O)[O-])cc1 589188979 XOOFROQEWHHJQZ-CBQGHPETSA-N 425.529 4.239 5 20 IIBD CCCCN(Cc1ccccc1F)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 603522004 BIJBCFHGOWMWNN-UHFFFAOYSA-N 429.448 4.251 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 604443832 RJQQFXNSBLRYAE-CQSZACIVSA-N 431.876 4.280 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CCCO[C@H](c4ccccc4)C3)cc2)c(C)c1[N+](=O)[O-] 609230824 QBRUYXXRXDOMBK-QFIPXVFZSA-N 434.496 4.060 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)cc([N+](=O)[O-])c1 609428387 VWXHHBFONHFNOV-UHFFFAOYSA-N 446.822 4.061 5 20 IIBD C[C@H](NC(=O)Nc1cccc(NC(=O)CCN2CCCCC2)c1)c1cccc([N+](=O)[O-])c1 609433841 ICMCCRWQWLXBEI-KRWDZBQOSA-N 439.516 4.292 5 20 IIBD CCN(CC)CCn1ccc2cc(NC(=O)c3cc(O)nc4ccc([N+](=O)[O-])cc34)ccc21 609549100 HTWGFLNJRUSWAX-UHFFFAOYSA-N 447.495 4.397 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N[C@H]1CCN(Cc2ccccc2)C1=O 609781585 QMZKXZNPCGVYAF-QFIPXVFZSA-N 446.463 4.310 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N3CCS[C@H](C)[C@H]3C)c([N+](=O)[O-])c2)c(C)c1 609823350 UXXNECLMTGTTQL-HZPDHXFCSA-N 435.571 4.343 5 20 IIBD O=C1CCc2cc(NC(=O)c3ccn(-c4c(Cl)cc([N+](=O)[O-])cc4Cl)n3)ccc2N1 609855684 RJNCKXXUEMVOOP-UHFFFAOYSA-N 446.250 4.224 5 20 IIBD Cc1ccc(NCCCNC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c([N+](=O)[O-])c1 610055758 ANIGMIWPQNUANR-UHFFFAOYSA-N 444.438 4.387 5 20 IIBD CCOc1cc(CN[C@@H]2C[C@@H](C)C[C@@H](C)C2)ccc1OCCn1c([N+](=O)[O-])cnc1C 610089144 CPVSLGXETDJSLL-YRWFTTLQSA-N 430.549 4.492 5 20 IIBD COc1ccc(C2(NC(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)CCOCC2)cc1 611073702 NKTKQAQRTYHNOU-UHFFFAOYSA-N 449.301 4.110 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(C(=S)Nc3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 727282899 HNPZFQZTRLTDNW-UHFFFAOYSA-N 446.401 4.411 5 20 IIBD COc1cc(CN(C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])C2CC2)ccc1OC(F)F 727707288 DMZNXXVDTFUKHK-UHFFFAOYSA-N 428.338 4.288 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(F)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 732524817 MWTIEQQFRHJLAY-UHFFFAOYSA-N 429.401 4.021 5 20 IIBD Cc1c(C(=O)OCc2cc(-c3ccc(Cl)cc3)no2)nnn1-c1cccc([N+](=O)[O-])c1 733513675 MKAJDOZYCWRRAC-UHFFFAOYSA-N 439.815 4.149 5 20 IIBD CC(C)(C)OC(=O)NC1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCCCC1 735467834 ASQSOERNBMATQF-UHFFFAOYSA-N 425.913 4.135 5 20 IIBD C[C@@H](OC(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)c1cccc([N+](=O)[O-])c1 741534750 JVBTYBAHNPJVEV-QAPCUYQASA-N 443.525 4.151 5 20 IIBD CS(=O)(=O)Nc1cc2ccccc2cc1C(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 741932145 SFJQFRKKEPMWGH-UHFFFAOYSA-N 434.857 4.130 5 20 IIBD Cc1ccc([C@H](NCc2cc(F)ccc2[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 742264325 YNFPEOPGUJBXOD-QFIPXVFZSA-N 428.485 4.325 5 20 IIBD CCO[C@@H](C)c1ncc(C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)s1 744354012 NQNPGOBKDSIXAD-ZDUSSCGKSA-N 445.501 4.250 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCN(C(=O)OC(C)(C)C)c2ccccc21 746472387 OIGLHLNUMDBJRN-UHFFFAOYSA-N 440.500 4.494 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2c(F)cc(N)cc2F)c2ccccc2)c([N+](=O)[O-])c1 748465462 RTGYYXRVUOPVJO-FQEVSTJZSA-N 441.390 4.300 5 20 IIBD Cc1c(CC(=O)OCc2nc(-c3ccc(Br)s3)no2)cccc1[N+](=O)[O-] 748473123 XHCACZQFAPEBME-UHFFFAOYSA-N 438.259 4.063 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)c1 748801800 ZDERKWLMFRXFMM-UHFFFAOYSA-N 441.484 4.221 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cc(F)c(F)cc1Br 750178976 GBVJRXCNHYZYTK-UHFFFAOYSA-N 440.156 4.043 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCCCC[C@@H]1C[C@H](O)c1ccccc1 752115651 YMYNIKUNKLKOST-PKTZIBPZSA-N 434.496 4.289 5 20 IIBD COc1ccc(CC(=O)N(Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)cc1[N+](=O)[O-] 752461305 KZCZRBWWRNWJAK-SANMLTNESA-N 446.503 4.009 5 20 IIBD COC(=O)c1ccc(C(=O)O[C@@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])s1 753944987 IBUAUNFGNIIAMH-AWEZNQCLSA-N 442.287 4.251 5 20 IIBD CCN(Cc1cccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c1)C(=O)C(F)(F)F 754109564 IFHUMRNRWNGNTH-GFCCVEGCSA-N 441.381 4.387 5 20 IIBD C[C@H](C(=O)N1CCO[C@H](c2ccccc2Br)C1)c1ccc([N+](=O)[O-])cc1F 754394122 HKYFLPTWEUQYIA-SGTLLEGYSA-N 437.265 4.200 5 20 IIBD CCn1cnnc1-c1cccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c1 754965788 LEVOIAZEWKDPNG-UHFFFAOYSA-N 434.225 4.027 5 20 IIBD O=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cc(F)cc([N+](=O)[O-])c1Br 754990045 PTPLBKXAUGKEML-WBVHZDCISA-N 441.228 4.286 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 756967601 SBSMRKVQHONYIY-ZDUSSCGKSA-N 440.928 4.083 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)Nc1ccccc1I 757179795 JMTLCTHRBOHVRL-UHFFFAOYSA-N 431.617 4.175 5 20 IIBD COc1ccccc1[C@H](OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccccn1 759595465 JMUKNCIRNUDQDX-QFIPXVFZSA-N 430.420 4.131 5 20 IIBD C[C@H](NC(=O)NC[C@@H](O)c1cccc(OCc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 760745516 YAFAPKFGDJUWRQ-GAJHUEQPSA-N 435.480 4.268 5 20 IIBD Cc1nn(CC(F)(F)F)cc1C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 763194482 IZWCCQWXNCHFKW-UHFFFAOYSA-N 448.357 4.134 5 20 IIBD O=C(Nc1ccc(OC(=O)[C@H](O)c2ccccc2Cl)cc1)c1cccc([N+](=O)[O-])c1 764640976 ODLPYZCXIGMDFF-LJQANCHMSA-N 426.812 4.140 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NC1(c2c(Cl)cccc2Cl)CC1 765845732 XTRTUTGVIWPUMD-UHFFFAOYSA-N 428.659 4.299 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F 767383304 ZLJSUTZBXJNPBN-INIZCTEOSA-N 430.745 4.157 5 20 IIBD COc1cc(CN2CCC([C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])cc1OC 768386511 ZDXDDDGDXUMCCR-SFHVURJKSA-N 449.548 4.224 5 20 IIBD CSc1ccc(C(=O)OCC(=O)c2cc(C)n(CC(F)(F)F)c2C)cc1[N+](=O)[O-] 769422211 MDEMYKNAKYANKA-UHFFFAOYSA-N 430.404 4.337 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1 769943811 QRWJHSMHMSTUMI-MRXNPFEDSA-N 429.492 4.111 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCSC[C@H]2c2cccc(C(F)(F)F)c2)cs1 770282027 IDUYIUNBUKDTKV-ZDUSSCGKSA-N 438.474 4.154 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(F)(F)F 771785197 UWNOIYDISGUFPH-GOSISDBHSA-N 433.390 4.013 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1)CC2 774219894 QZTAKKLVISDIST-SFHVURJKSA-N 425.485 4.101 5 20 IIBD C[C@@H](OC(=O)c1ccc(-c2cncnc2)cc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 775092179 FJQLLXKSAYOXTO-GFCCVEGCSA-N 435.371 4.159 5 20 IIBD Cc1ccc(-n2nnc(C(=O)O[C@H](c3cccnc3)c3ccccc3[N+](=O)[O-])c2C)cc1 776136727 LGBQUIRMVLXFAI-JOCHJYFZSA-N 429.436 4.134 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl 778807072 VNUVWBPGCIMHSQ-CYBMUJFWSA-N 438.889 4.015 5 20 IIBD COc1ccc(CN(C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)C2CC2)cc1 781601934 WMXVGIHCLMMDJY-OAHLLOKOSA-N 427.457 4.272 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Oc1cc(Br)cc(F)c1F 786225961 ANVQVVBSCTXRAC-UHFFFAOYSA-N 431.145 4.082 5 20 IIBD Cc1c(C(=O)OCc2c(F)cccc2[N+](=O)[O-])nnn1Cc1ccc(C(F)(F)F)cc1 787157657 KPIMPCKPSFVGDE-UHFFFAOYSA-N 438.337 4.058 5 20 IIBD O=C(OCCOCC(F)(F)C(F)(F)F)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 787679699 WNPUKGADSOJPBO-UHFFFAOYSA-N 426.319 4.089 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 790208386 LMJOHRIHHBJQFZ-WMZOPIPTSA-N 425.485 4.340 5 20 IIBD COc1ccc(-c2nc3ccccc3[nH]2)cc1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 799927304 YPQNVZYVHTVBHX-UHFFFAOYSA-N 442.428 4.087 5 20 IIBD CC(C)(C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-])c1csc(-c2cccs2)n1 800292463 QTEQLTMUHXGQQS-UHFFFAOYSA-N 431.495 4.239 5 20 IIBD C[C@H](OC(=O)c1ccccc1Oc1ccncc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 801501184 CEFPZYPZGMBBIF-ZDUSSCGKSA-N 425.372 4.105 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1cccc(Cl)c1SC(F)F 802613722 MCGJCPSXKHFCHE-UHFFFAOYSA-N 443.859 4.203 5 20 IIBD CC(C)[C@H](C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)N(C)C 803701968 FNVXPSMQIYKWEX-RTBURBONSA-N 433.892 4.057 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2-c2nc(CC(=O)N[C@@H](C)c3ccccc3)no2)CC1 809458738 VYMNNGCLFUUTED-KRWDZBQOSA-N 449.511 4.301 5 20 IIBD O=C(OCc1ccccc1)c1ccc(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 810167568 KMKOLWSPXQRIGN-UHFFFAOYSA-N 434.448 4.013 5 20 IIBD CCCC1CCC(N(C)C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 810402861 NZUNOMLRVGTBCT-UHFFFAOYSA-N 426.311 4.113 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](C)c2ccc(N3CCCCC3=O)cc2)c1 811005241 OEDQHQVNASGZOH-QGZVFWFLSA-N 425.485 4.066 5 20 IIBD Cc1noc2nc(C3CC3)cc(C(=O)O[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c12 812875389 QYCDIZFMIAOMEW-JTQLQIEISA-N 444.831 4.154 5 20 IIBD CC1(C)C[C@](C)(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C(=O)O1 820575666 KZDDTTNELRUXAG-NRFANRHFSA-N 431.876 4.074 5 20 IIBD O=C(COC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)N[C@H](c1ccccc1)c1cccs1 917263011 JLMTTXGCOLRMOH-OAQYLSRUSA-N 436.445 4.465 5 20 IIBD C[C@@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 917847955 VWJYJHSGTWMZNB-ZDUSSCGKSA-N 439.331 4.347 5 20 IIBD COc1ccc(COC(=O)CSc2nc(C)nc3sc(C)c(C)c23)cc1[N+](=O)[O-] 918802158 LWFMGDQHSDADFI-UHFFFAOYSA-N 433.511 4.369 5 20 IIBD CC(C)N(Cc1ccc(Br)cc1)Cn1cc(Br)c([N+](=O)[O-])n1 919954239 UHFCPGZHTXFKKS-UHFFFAOYSA-N 432.116 4.184 5 20 IIBD O=C(CCCOc1cccc2ccccc12)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 920335142 YPOHGDXRDGDVLZ-UHFFFAOYSA-N 448.884 4.066 5 20 IIBD Cc1ccnc(-n2c(SCCOc3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)c1 921264019 JQBMUUSKLNGZJS-UHFFFAOYSA-N 434.477 4.168 5 20 IIBD CC(C)(C)Oc1ccc(CCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 1319498120 YTCRDXIEBXQTJW-UHFFFAOYSA-N 425.529 4.347 5 20 IIBD Cn1cc([C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)c2ccccc2)cn1 1320208884 NCFSINIKNRWIPW-QGZVFWFLSA-N 449.692 4.264 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(CN(C[C@H]2CCCO2)C(=O)OC(C)(C)C)n1 1320211419 CXJIYYHAUFCJTC-OAHLLOKOSA-N 432.477 4.178 5 20 IIBD CC(=O)N1CCCCC[C@H]1C1CCN(Cc2ccc([N+](=O)[O-])cc2Br)CC1 1321393258 AZMNDXKXSMTLRA-FQEVSTJZSA-N 438.366 4.360 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)NC1(c2ccc(NC(=O)c3ccco3)cc2)CCC1 1787272457 LRKNJQOYMVPISI-UHFFFAOYSA-N 437.427 4.317 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccc(C2(NC(=O)C(F)F)CCC2)cc1 1791522118 DUWQBBBFUUPBGR-UHFFFAOYSA-N 435.452 4.086 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 1793939963 KPJSHFZVMOMGHS-ACDBMABISA-N 441.915 4.133 5 20 IIBD CCCC(=O)N1CCCC2(CCN(C(=O)CCCc3cc(C)c(F)cc3[N+](=O)[O-])CC2)C1 1809112653 ZCDDWVKJQBZGDV-UHFFFAOYSA-N 447.551 4.396 5 20 IIBD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(Cl)c2)CC1 1829975098 GDXPKDJPMOXYSD-LJQANCHMSA-N 444.919 4.123 5 20 IIBD COc1ccccc1Nc1nnc(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)s1 3494664 DHUFNKMMTMRGNZ-UHFFFAOYSA-N 435.462 4.068 5 20 IIBD CC(=O)CCc1ccc2oc(C(=O)O[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)c(C)c2c1 8807197 PVZIPCKIXLCQHB-OAHLLOKOSA-N 438.436 4.355 5 20 IIBD CC(C)CCn1c(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O 11205793 VVAFASKYEHCZLL-HNNXBMFYSA-N 440.525 4.470 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 16196511 PURZXUWGSUIRIK-VIFPVBQESA-N 439.833 4.062 5 20 IIBD Cc1cc(=O)c(C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)nn1-c1ccccc1[N+](=O)[O-] 21898466 MATALSDQEGSQEF-UHFFFAOYSA-N 434.496 4.019 5 20 IIBD COc1ccc(C2=NN(C(=O)COc3ccc(C)cc3[N+](=O)[O-])[C@H](c3ccco3)C2)cc1 24733194 HWHLQZJWDUYEIY-IBGZPJMESA-N 435.436 4.262 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cc(Br)c[nH]2)cc1)c1cccc([N+](=O)[O-])c1 25710040 QBKVABGSNPZGMQ-UHFFFAOYSA-N 430.214 4.157 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3nc(C(F)(F)F)cs3)cc2)c(C)c1[N+](=O)[O-] 32471895 FTUDWVAXTJRJHS-UHFFFAOYSA-N 425.392 4.184 5 20 IIBD COC(=O)Cc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)nc1-c1ccccc1 65430356 WGLMQTICNVXTQT-UHFFFAOYSA-N 431.857 4.340 5 20 IIBD CC(C)CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nc2ccccc2c1=O 79382847 GXIHZYOJIMISSJ-UHFFFAOYSA-N 426.498 4.082 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cc2-n2cccc2)cc1OC 111002717 MGBXOZFBOUMSDU-UHFFFAOYSA-N 445.859 4.325 5 20 IIBD Cc1ccc(NC(=O)COc2ccc(CCNCc3csc([N+](=O)[O-])c3)cc2)cc1 237682479 SZXUUWBXOJAXJN-UHFFFAOYSA-N 425.510 4.315 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12 247976997 DCVALVNKAMKMDI-UHFFFAOYSA-N 445.810 4.349 5 20 IIBD Cc1cc(N2CCC[C@H](c3nnc4n3CCCCC4)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 301115890 ONDYPCNQUWMKNB-SFHVURJKSA-N 433.516 4.062 5 20 IIBD CN(CC(=O)Nc1ccccc1Br)c1ccc([N+](=O)[O-])cc1Br 301490944 BDHVXUBMKAGZFM-UHFFFAOYSA-N 443.095 4.195 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 410031279 UZRHNKRTBUPANZ-OAHLLOKOSA-N 437.525 4.267 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCc2c(cnn2-c2ccccc2)C1 426255211 HNRJICSLZJOGLD-UHFFFAOYSA-N 445.401 4.067 5 20 IIBD CCc1cc(O)nc(-c2cccc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])c2)n1 430051734 GJSUGCQHXWFMSZ-UHFFFAOYSA-N 443.257 4.335 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H](OCCCc2ccccc2)C1 430440083 RHKXAZPVSNFMCL-QGZVFWFLSA-N 433.302 4.221 5 20 IIBD O=C(Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1Cl 435367872 BMZZXLLKTPRTLY-KRWDZBQOSA-N 425.876 4.144 5 20 IIBD Cc1oc2ncn(C)c(=O)c2c1C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435441141 AFPDRKFZVNTISZ-UHFFFAOYSA-N 442.478 4.208 5 20 IIBD CSc1nnc(CCCNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)n1CC(C)C 435817083 HHXOSOWQBFZXCM-UHFFFAOYSA-N 449.580 4.013 5 20 IIBD CC[C@H]1Oc2cc([C@@H](C)NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)ccc2NC1=O 437018002 LFPHLRMCLVRFQZ-QLJPJBMISA-N 437.374 4.214 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@H](C)[C@H](O)Cc3ccccc3)cc2[N+](=O)[O-])n1 438223177 GAQVHDCNSAHTDG-RDTXWAMCSA-N 443.550 4.233 5 20 IIBD CCOc1ccc(NS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c(C)c1 438808476 GFTMJDRYGPNQIQ-UHFFFAOYSA-N 429.292 4.174 5 20 IIBD Cn1cnc2cc(NC(=O)C3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)ccc21 440540720 SAWOVTWJPRHTAW-UHFFFAOYSA-N 447.417 4.355 5 20 IIBD Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 441270657 PFDLIJHSJUNCPO-WMZOPIPTSA-N 447.438 4.238 5 20 IIBD CCCN(C(=O)[C@@H]1CCCN(c2ncnc3sccc23)C1)c1cccc([N+](=O)[O-])c1 441448389 GIRBFTDLUQALTI-OAHLLOKOSA-N 425.514 4.259 5 20 IIBD Cc1cc(CN2CCN(C(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])CC2)on1 442422085 GSHQKFJHNHYCDB-UHFFFAOYSA-N 438.509 4.000 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1 444919207 IBTMBSWJKNRIIO-INIZCTEOSA-N 445.476 4.209 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@@H]1CCOc2ccc(Br)cc21 445901848 ZTJHUHNGQIZTLJ-OAHLLOKOSA-N 434.290 4.060 5 20 IIBD C[C@@H]1CCCCN1C[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 445993026 MGZHXKYGNPDFOR-HZPDHXFCSA-N 438.366 4.013 5 20 IIBD O=c1c2cnn(-c3ccccc3[N+](=O)[O-])c2ncn1CCc1cc(Cl)cc(Cl)c1 446057886 ARFXYMQHVNZLOO-UHFFFAOYSA-N 430.251 4.040 5 20 IIBD Cc1c(C(F)(F)F)nn(C)c1NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 461227142 PPGCFOWJGWBOQM-VXGBXAGGSA-N 439.438 4.390 5 20 IIBD Cc1ccc(-c2nnc(N(Cc3ccccc3[N+](=O)[O-])C3CC3)n2C[C@H]2CCCCO2)o1 461657566 PKIHHFMYRCOJTD-LJQANCHMSA-N 437.500 4.493 5 20 IIBD C[C@@H](CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc(F)c(Br)c1 462325424 GYRUTYMATRJHJL-LBPRGKRZSA-N 439.285 4.050 5 20 IIBD C[C@H](NC(=O)c1c(Cl)cccc1I)c1ccccc1[N+](=O)[O-] 463685108 LMUPMKRTYFTVJJ-VIFPVBQESA-N 430.629 4.344 5 20 IIBD COc1ccc(N(Cc2ccccc2)C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 465128366 KTZUDHFILVKXEB-UHFFFAOYSA-N 434.448 4.151 5 20 IIBD CCC[C@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(F)cc1F 468372956 ODXUEUQGWIECEW-KRWDZBQOSA-N 433.411 4.219 5 20 IIBD COc1csc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c1 473490885 PERQCLLNEIKVRS-UHFFFAOYSA-N 447.494 4.026 5 20 IIBD O=[N+]([O-])c1cc(Br)cnc1NC1CCN(c2nc3ccccc3s2)CC1 474777503 WGNWLTCEYSXZMF-UHFFFAOYSA-N 434.319 4.443 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1(c2noc([C@H]3CCOC3)n2)CCCCCC1 475551084 QANPTWUFZLRRND-INIZCTEOSA-N 443.504 4.470 5 20 IIBD COc1cc(OCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)ccc1[N+](=O)[O-] 475886583 RKSDCQNOVQAQCT-MRXNPFEDSA-N 443.506 4.483 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@@H](c2ccc(F)cc2Cl)C1 477190875 UHXUXUAPOUVQIW-GOSISDBHSA-N 442.274 4.366 5 20 IIBD C[C@H]1CO[C@@H](c2ccccc2Cl)CN1c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 480056356 JHCALATUSHZNKM-YCRPNKLZSA-N 429.904 4.451 5 20 IIBD CNC(=O)c1ccc(Sc2nnc(-c3ccc(C)cc3)n2Cc2ccco2)c([N+](=O)[O-])c1 481834758 CXOIRTBQFPXHNX-UHFFFAOYSA-N 449.492 4.314 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccccc1)C(F)F 481875787 ZJWFDHRQLDYVRB-AWEZNQCLSA-N 446.191 4.244 5 20 IIBD C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)Oc1ccccc1Cl 482527596 FBQCFPWYJRLNAF-NSHDSACASA-N 427.682 4.137 5 20 IIBD COc1ccc(CN(CCc2ccccn2)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 483064914 AISTWYRGYQRRHK-UHFFFAOYSA-N 445.479 4.293 5 20 IIBD COc1ccc(Br)cc1NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] 483437804 LVRMKGBGTJMQJP-UHFFFAOYSA-N 427.276 4.349 5 20 IIBD Cc1c(Br)cc(C(=O)N(C)[C@H](c2ccccc2)c2ncc[nH]2)cc1[N+](=O)[O-] 492461659 FALFLEOMODOJRA-QGZVFWFLSA-N 429.274 4.250 5 20 IIBD O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H](Sc1ccc(F)c(Cl)c1)c1ccccc1 492744765 HPWULASNBJMVFF-GOSISDBHSA-N 434.880 4.234 5 20 IIBD CC(C)n1c(Sc2ccc([N+](=O)[O-])cc2Br)nnc1C1CCNCC1 497132345 SBEPDUKLEMRVNT-UHFFFAOYSA-N 426.340 4.148 5 20 IIBD Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCCN1C(=O)c1cc([N+](=O)[O-])c(C)s1 501205332 KKMIDSUXMRHOIT-GOSISDBHSA-N 444.488 4.120 5 20 IIBD COc1cc(Cl)c(Br)cc1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 502489305 BNCJEZDRPPGDMQ-UHFFFAOYSA-N 425.626 4.148 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1 503036895 YGPGWEXCGWBRBA-HXUWFJFHSA-N 447.532 4.039 5 20 IIBD Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)cc1[N+](=O)[O-] 505003727 XLCRWEBBADBAJC-UHFFFAOYSA-N 446.301 4.157 5 20 IIBD COc1cc(CN(C)C2CCN(C(C)C)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 506388769 WXARHASRGATICT-UHFFFAOYSA-N 427.545 4.487 5 20 IIBD O=C(NCCCNc1ccc2ncccc2c1[N+](=O)[O-])c1cccc(Br)c1 507021826 MGWMSQVNONORPG-UHFFFAOYSA-N 429.274 4.138 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1cnc2ccccc2c1 509128076 ZOJDSJSRSPPENL-UHFFFAOYSA-N 433.205 4.308 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CN3CCCC[C@@H]3c3nnc(C4CCOCC4)o3)co2)cc1 510937975 YXERAKDWEZXJER-LJQANCHMSA-N 439.472 4.254 5 20 IIBD COc1ccc(-c2nnc(SCC(=O)c3ccc([N+](=O)[O-])cc3)n2CC(C)C)cc1 513919851 FZRPWUDWTHOXKZ-UHFFFAOYSA-N 426.498 4.493 5 20 IIBD C[C@@H]1CN(c2ccccc2NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 515615464 WGLVXYVEKNOLOB-QZTJIDSGSA-N 438.528 4.064 5 20 IIBD COc1cc(C(=O)Nc2ccnn2Cc2ccc(C)cc2)c([N+](=O)[O-])cc1OC(F)F 521213394 UINZNLMYSOWPPV-UHFFFAOYSA-N 432.383 4.010 5 20 IIBD COc1ccc(CC(=O)Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)cc1[N+](=O)[O-] 522517287 UUDQFWZPECZUOJ-HKBQPEDESA-N 438.505 4.234 5 20 IIBD O=c1c(Cl)c(N2CC[C@H](Cc3ccc(F)cc3)C2)cnn1-c1ccc([N+](=O)[O-])cc1 522979620 CLGYKQOFPVYZHZ-OAHLLOKOSA-N 428.851 4.002 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(-c3nc(C(C)C)no3)cc2)c([N+](=O)[O-])cc1OC 523241698 GGZIHCCMTDRJPT-UHFFFAOYSA-N 426.429 4.428 5 20 IIBD Cc1cc(=O)c(C(=O)N(c2ccc(F)cc2Cl)C(C)C)nn1-c1ccccc1[N+](=O)[O-] 523242703 RHCWKXATWUCKIH-UHFFFAOYSA-N 444.850 4.297 5 20 IIBD CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 532614961 JQMPTLJUQMJOIF-UHFFFAOYSA-N 439.390 4.113 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O 533303077 BRFKRXYTLUDPMP-ACJLOTCBSA-N 441.875 4.097 5 20 IIBD Cn1ccnc1Sc1ccc(F)cc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 533961647 ORAQBNTUENAEEV-UHFFFAOYSA-N 425.445 4.281 5 20 IIBD COc1ccccc1NC(=O)c1ccc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)cc1 534040425 PWUPGLLGZHDKQR-UHFFFAOYSA-N 434.452 4.220 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 535500677 HMCPPQBNFXIOLQ-UHFFFAOYSA-N 428.832 4.458 5 20 IIBD COc1ccc(C[C@@H](C)CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1OC 535681965 USRSEMPNGOIHHE-GOSISDBHSA-N 444.531 4.167 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 536292553 UEZAJPNTEWETGK-UGSOOPFHSA-N 438.452 4.277 5 20 IIBD CCc1nc2ccccc2n1C1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 537854042 NPSFTLFDVZGZAM-UHFFFAOYSA-N 435.528 4.481 5 20 IIBD COc1ccc(OC)c(-c2csc(NC(=O)CCOc3cc(C)ccc3[N+](=O)[O-])n2)c1 539529715 XTJHNYDLLFTHOE-UHFFFAOYSA-N 443.481 4.452 5 20 IIBD O=C(CN[C@H](C[C@@H]1CCOC1)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Br 540434420 LFZMHMZZTOWYAP-IFXJQAMLSA-N 448.317 4.053 5 20 IIBD CN(C)c1cccc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n1 541974721 QLDPCENRRDXSJY-UHFFFAOYSA-N 442.479 4.090 5 20 IIBD CC(C)N1CCc2nc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)sc2C1 543129293 ANVAQYVTXNOZQJ-UHFFFAOYSA-N 432.549 4.016 5 20 IIBD O=[N+]([O-])c1cccc(OCc2nc(Cc3c[nH]c4cccc(Br)c34)no2)c1 545077052 NGQYDDKMGPKYMO-UHFFFAOYSA-N 429.230 4.391 5 20 IIBD O=C1C[C@H](c2noc(-c3csc(-c4cccc([N+](=O)[O-])c4)n3)n2)CN1Cc1ccccc1 545129150 MGZJZBWYLPWGGU-INIZCTEOSA-N 447.476 4.284 5 20 IIBD O=c1c2ccccc2n(Cc2nc(-c3cc(OCC(F)F)ccn3)no2)c2ccccc12 545842412 OPFVYFGFBJVKTF-UHFFFAOYSA-N 434.402 4.292 5 20 IIBD COc1ccc(CSCC(=O)NCC2(c3ccccc3OC)CCC2)cc1[N+](=O)[O-] 546136391 YOCWCLRVXXUSCY-UHFFFAOYSA-N 430.526 4.083 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc(Cc2csc(NC(=O)c3cccs3)n2)n1 546397017 YEULICQDSDTAOC-UHFFFAOYSA-N 427.467 4.314 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CCC[S@](=O)c3ccc(Br)cc3)n2)cc1 546964561 ZGDAVAGYTVUQPT-SANMLTNESA-N 436.287 4.148 5 20 IIBD COc1ccc(COc2ccc(-c3noc(-c4cc5c(c([N+](=O)[O-])c4)OCO5)n3)cn2)cc1 547074411 YLDOLZSLOJWKOK-UHFFFAOYSA-N 448.391 4.023 5 20 IIBD C[C@H]1C[C@@H](CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CN1Cc1ccccc1 547245944 GAXARQKUWRTNLW-PKOBYXMFSA-N 427.520 4.428 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1 549202296 KNEYIUKPAJVHDL-UHFFFAOYSA-N 437.456 4.141 5 20 IIBD CC[C@@H](c1cccc(OC)c1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 565853147 BHTXUIOSQCGSAZ-INIZCTEOSA-N 443.319 4.138 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(C(C)(C)NC(=O)c2ccccc2)no1 567084476 VXGKPXCUWHFOQD-GFCCVEGCSA-N 430.848 4.436 5 20 IIBD CN1CC[C@H](NCCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1c1ccc(Cl)cc1 568803334 OCQVDYXIWVNLKI-SIKLNZKXSA-N 426.904 4.481 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2c(O)cc(Br)cc2Cl)cc([N+](=O)[O-])c1 572787619 GAZOJRTZMZELPJ-UHFFFAOYSA-N 443.637 4.145 5 20 IIBD CC[C@H](c1cccc(OC)c1)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br 574362185 MAXAMICDCUKCFW-GOSISDBHSA-N 436.306 4.388 5 20 IIBD CCCN(C(=O)CCc1c(C)nc2c3cccnc3nn2c1C)c1cccc([N+](=O)[O-])c1 574482650 SFDUSMWFJZZMMC-UHFFFAOYSA-N 432.484 4.178 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)CC1(CC(=O)Nc2nccs2)CCCCC1 578886252 MXHJFYYYBYGQRF-UHFFFAOYSA-N 444.557 4.422 5 20 IIBD NC(=O)c1ccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c(OCC(F)F)c1 581042904 PCDXALUCTRLYPB-UHFFFAOYSA-N 434.424 4.073 5 20 IIBD CN1CCC2(CC1)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccccc1O2 582015539 BKAKWFLZKLQOPA-SFHVURJKSA-N 449.429 4.332 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)Nc1ccc(F)c(F)c1F)c1ccccc1[N+](=O)[O-] 603644248 FQTLUKGNSLFFAL-CQSZACIVSA-N 425.363 4.217 5 20 IIBD COc1cc(OC)c(C2CCN(C(=O)Nc3ccc([N+](=O)[O-])c(C)c3)CC2)c(OC)c1 603839798 AYRAOCSYPVBLPB-UHFFFAOYSA-N 429.473 4.341 5 20 IIBD CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 603929094 QLEAYWZJDYIIKC-FQEVSTJZSA-N 440.496 4.193 5 20 IIBD COc1ccc(CNC(=O)CSc2cc(C)c(Br)cc2C)cc1[N+](=O)[O-] 604016745 PMHSEHYOJWOJSQ-UHFFFAOYSA-N 439.331 4.391 5 20 IIBD C[C@H](Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 604045949 LIJDEKWZYSYDSD-HNNXBMFYSA-N 436.443 4.354 5 20 IIBD O=C(Cn1nccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 604114459 CXNONFCZAWRLOT-UHFFFAOYSA-N 428.920 4.442 5 20 IIBD O=C(CN1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1Cl 604276165 GPKGXBSOJPCOBW-DTORHVGOSA-N 433.736 4.249 5 20 IIBD Cc1ccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1NS(C)(=O)=O 604446656 WPXKAJNEVHETKJ-UHFFFAOYSA-N 440.481 4.271 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CC3(CCC3)c3c(F)cccc32)ccc1[N+](=O)[O-] 608807572 HACBXQFHYYTNKK-FQEVSTJZSA-N 437.471 4.115 5 20 IIBD CC(C)[C@@H](NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 608880156 YAMFWJHWLVKVSD-FZKQIMNGSA-N 437.418 4.245 5 20 IIBD CC1(C)CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 609134388 UYHPSPHCSZEFRV-MRXNPFEDSA-N 425.304 4.129 5 20 IIBD CC(=O)N(Cc1ccc(NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1)C1CC1 609928164 ZXXLRCHTLCGQAU-UHFFFAOYSA-N 434.399 4.351 5 20 IIBD COC(=O)c1ccc(OCc2c(C)nn(Cc3ccc(Cl)cc3)c2C)c([N+](=O)[O-])c1 610208124 JJIBCRLKDXCZCA-UHFFFAOYSA-N 429.860 4.475 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(CC(=O)OC(C)(C)C)c2)cc1OC 610306832 SNTCAYSKJYAKNS-UHFFFAOYSA-N 430.457 4.139 5 20 IIBD O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611207045 ZBHYBAPNDBGWHW-MRXNPFEDSA-N 431.558 4.150 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1Cc2cccc(Br)c2C1 613689850 PBPYCDUIIWKUTI-JTQLQIEISA-N 425.666 4.320 5 20 IIBD CCc1cccc2c(C3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4OC)CC3)c[nH]c12 619477960 ONHZVMINJBPRCC-UHFFFAOYSA-N 443.525 4.215 5 20 IIBD COCCCn1c(Sc2ccccc2[N+](=O)[O-])nnc1-c1ccc(OC)c(OC)c1 619696607 KDRCBKHCOHPESA-UHFFFAOYSA-N 430.486 4.058 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOc2ccc(Br)cc2C1 619820226 FYHJCFMTFBAQTO-LBPRGKRZSA-N 437.315 4.259 5 20 IIBD CCOc1c(C)cc(COC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1C 727639653 OUNVQXLZVGAHSY-OAQYLSRUSA-N 440.496 4.267 5 20 IIBD Cc1cc(Cl)ccc1O[C@H](C)C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730702480 AFKMGAXDZLLENG-NVXWUHKLSA-N 446.887 4.172 5 20 IIBD COc1ccc(CNCc2cccc3c2OCCO3)cc1OCc1ccc([N+](=O)[O-])cc1 733332279 WXDPKRQFORNGIR-UHFFFAOYSA-N 436.464 4.243 5 20 IIBD C[C@@H](NC(=O)COC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1Cl 735149751 VLTQFVBNUHKFAN-GFCCVEGCSA-N 441.267 4.091 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2 735644246 XESPNVBWEHWDPS-UHFFFAOYSA-N 435.908 4.120 5 20 IIBD COc1ccc(-c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])c(Cl)cc3C)o2)cc1 735821455 HQVLCDOICLXABZ-UHFFFAOYSA-N 434.861 4.346 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N(c2ccc(O)cc2)S(=O)(=O)c2ccccc2)c1 743484117 QDNRHLFLAVNAQN-UHFFFAOYSA-N 444.490 4.058 5 20 IIBD Cc1cc2c(cc1C)O[C@H](C(=O)N(Cc1nnc(-c3cccc([N+](=O)[O-])c3)o1)C(C)C)C2 744353903 JOCVWAGAIJAWRX-FQEVSTJZSA-N 436.468 4.002 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc1N1CCOC1=O 746351982 GCQIQMLDZPWAQW-UHFFFAOYSA-N 438.484 4.348 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)N[C@H](C)c1ccc(F)cc1 747120077 WYFNSXZQXHMABV-MNOVXSKESA-N 428.338 4.175 5 20 IIBD COc1ccc(-c2nc(COC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)co2)cc1 748952478 WAEBKNQCDXQICF-UHFFFAOYSA-N 427.369 4.140 5 20 IIBD O=C(OCCCc1nc(-c2ccccc2)no1)c1ccc(Br)cc1[N+](=O)[O-] 750965216 PSBMVHUXRYBURF-UHFFFAOYSA-N 432.230 4.197 5 20 IIBD COc1c([N+](=O)[O-])cc(NC2CCC(OC(C)C)CC2)c([N+](=O)[O-])c1Br 751946806 KVZNYLHTQRKHQT-UHFFFAOYSA-N 432.271 4.422 5 20 IIBD O=c1ccc([N+](=O)[O-])cn1CCSc1nn(-c2ccc(Cl)cc2)c(=S)s1 753861484 AFZDMKIEYADNNU-UHFFFAOYSA-N 426.932 4.179 5 20 IIBD Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)OCc1cccc([N+](=O)[O-])c1 753993820 JJANRQNDPPQFLT-UHFFFAOYSA-N 447.369 4.342 5 20 IIBD C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)Oc1cccc(Cl)c1 755013208 OBSJLWZXEFTGKL-VIFPVBQESA-N 431.645 4.347 5 20 IIBD C[C@@H](c1ccc(-n2cncn2)cc1)N(C)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 757782423 ZIJREROILUPNES-NSHDSACASA-N 436.350 4.300 5 20 IIBD COc1cc(CN(C)C(=O)c2cccc([N+](=O)[O-])c2Br)ccc1SC 758176852 ZCPRGHYQXNSUIL-UHFFFAOYSA-N 425.304 4.360 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 758498242 JBVJUHNFFYMMRI-STQMWFEESA-N 426.901 4.405 5 20 IIBD CN(C)[C@@H]1CCCN([C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)CC1 759977770 PYPYJDDGWOUUGL-WIYYLYMNSA-N 430.936 4.344 5 20 IIBD C[C@H](Cc1nc(Cc2ccccc2[N+](=O)[O-])no1)C1CCN(C(=O)OC(C)(C)C)CC1 761343586 JLBCCRIKSJWYOT-OAHLLOKOSA-N 430.505 4.394 5 20 IIBD O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCOC[C@@H]1C[C@@H](O)c1ccccc1 763722216 BLBHQGKRORKIJC-XUZZJYLKSA-N 447.491 4.303 5 20 IIBD CCOC(=O)Nc1ccc(Br)cc1NC(=O)c1ccc([N+](=O)[O-])c(OC)c1 764541816 OIXDCBGQYVRFHO-UHFFFAOYSA-N 438.234 4.187 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OC[C@@H]1CCCN(C(=O)c2ccc(C)o2)C1 765605759 YNSNVKKYFJYANR-MOPGFXCFSA-N 428.485 4.161 5 20 IIBD Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)c1 768898476 VBGFEKVEAFKBRQ-JOCHJYFZSA-N 430.464 4.156 5 20 IIBD C[C@@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H](C)CN1C(=O)OC(C)(C)C 771730265 DXYUEXNEZVAQSE-ZIAGYGMSSA-N 446.529 4.188 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 771926583 GZOOUFHEEIOWON-NSHDSACASA-N 442.419 4.411 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)cc1[N+](=O)[O-] 772993186 RHOHKGLLBDKIBY-INIZCTEOSA-N 449.287 4.111 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1Nc1ccc(N2CCC(O)CC2)cc1 774660739 RVWHYTRMSVCWIF-UHFFFAOYSA-N 432.349 4.349 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)OCCOc1ccc2c(c1)CCC(=O)N2 775086181 LEQXRQUIEDIZFC-UHFFFAOYSA-N 430.482 4.216 5 20 IIBD Cc1cc(C)cc(-n2nc(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2C)c1 777157837 WXJUVACCEVLQQU-UHFFFAOYSA-N 442.859 4.155 5 20 IIBD C[C@@H](CC(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C(=O)c1ccc(Cl)cc1 777216359 QASBOBFJQUSAOG-NSHDSACASA-N 439.251 4.292 5 20 IIBD CC[C@@H](C)Oc1cc(C(=O)OC2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)ccn1 777322774 DVAFYGHGYCXCIH-OAHLLOKOSA-N 429.473 4.002 5 20 IIBD COc1ccc(Cn2cc(C(=O)Nc3cc([N+](=O)[O-])c(Cl)cc3C)cn2)cc1OC 777672875 MHMXMHNHPFFXMH-UHFFFAOYSA-N 430.848 4.071 5 20 IIBD CCN([C@@H](C)Cc1ccsc1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 778137848 LTAYABOBNHYDQP-NSHDSACASA-N 433.349 4.061 5 20 IIBD CCOc1cc(N2CCOC(C)(C)C2)ccc1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 780158673 FCKYSQCPGDOAGL-MRXNPFEDSA-N 442.516 4.048 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)[C@@H](O)C1CCCCC1 782373008 WETFMCMAUIXFIJ-VQTJNVASSA-N 446.887 4.412 5 20 IIBD O=C(Nc1cccnc1-c1ccc(Cl)s1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 782957986 MGRJYRUIUDVMTJ-UHFFFAOYSA-N 444.900 4.461 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 784442176 NPACYUQGVIAFMH-BTYIYWSLSA-N 437.562 4.229 5 20 IIBD Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2c(C)nn(CC(C)C)c2Cl)cc1[N+](=O)[O-] 785251693 IHTNOBPFSYIWQK-MRXNPFEDSA-N 447.923 4.020 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@@H](C)c1cc2ccccc2o1 786474789 FESIZPJUHFUVIP-KBXCAEBGSA-N 442.493 4.497 5 20 IIBD Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCc2nnc3n2CCCCC3)n1 788880165 CNIVOQWJGPQCKA-UHFFFAOYSA-N 445.526 4.186 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(C(C)(C)NC(=O)OC(C)(C)C)no1 789782699 MKUXHLASXNPMSU-UHFFFAOYSA-N 441.282 4.476 5 20 IIBD Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 792282304 QWUAYFNMXSKYOM-SFHVURJKSA-N 445.428 4.121 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)OCc1nnc(-c2ccc(Br)cc2)o1 798129443 XROWISGDBRPBRX-KMKOMSMNSA-N 430.214 4.164 5 20 IIBD O=C(Nc1cc(-c2ccc(Br)o2)ncn1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 798236229 AIFFKBVUTYJZAX-UHFFFAOYSA-N 444.245 4.234 5 20 IIBD C[C@@H](OC(=O)C(C)(C)COCc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 800293609 WCXVKSYCFPWGOI-CQSZACIVSA-N 434.876 4.361 5 20 IIBD CCc1nc2cc(CNC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])ccc2n1C1CC1 801716882 PPBHRQKZARIXFC-UHFFFAOYSA-N 430.867 4.493 5 20 IIBD Cc1c(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 804406921 NCZALSHDRFIRIU-JOCHJYFZSA-N 435.436 4.187 5 20 IIBD COC(=O)N1CCC(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 804687931 IKWOVEKITSJKMN-UHFFFAOYSA-N 435.546 4.085 5 20 IIBD CCS(=O)(=O)c1ccc(Cl)c(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])c1Cl 808839004 HZWUXQPMXBDPJN-UHFFFAOYSA-N 445.324 4.010 5 20 IIBD O=C1OCCCN1c1ccccc1-c1noc(-c2cc([N+](=O)[O-])ccc2N2CCCC2)n1 809492922 XPTROYOBEMKDJI-UHFFFAOYSA-N 435.440 4.259 5 20 IIBD CC[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1Cl)[C@@H](c1ccc(C)cc1)n1cncn1 809912496 DZQIGTJSWAFTID-DNVCBOLYSA-N 428.880 4.338 5 20 IIBD O=C(Cc1cccc(F)c1)N1CCCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 809951679 IEIBBWPWQXIFIW-UHFFFAOYSA-N 440.302 4.318 5 20 IIBD O=C(COC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])Nc1ccc([N+](=O)[O-])cc1Cl 811373919 UAGIVZUZGLKRGZ-UHFFFAOYSA-N 448.602 4.259 5 20 IIBD C[C@H](OC(=O)[C@H]1CCCCCC(=O)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 811384553 FHABICLYJFWYHA-RYUDHWBXSA-N 430.379 4.023 5 20 IIBD C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(N2CCCCC2=O)cc1 812386667 ZDDJGDLFWZMYCE-CYBMUJFWSA-N 446.301 4.365 5 20 IIBD C[C@@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1=O 915665319 BAIMOJMFXGEUSQ-KRWDZBQOSA-N 427.766 4.234 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(OC(=O)c2cccc(Cl)c2Cl)c([N+](=O)[O-])c1 916960209 WFOPAPYWFOSOBY-UHFFFAOYSA-N 447.296 4.151 5 20 IIBD Cc1cc(C(=O)N2CCN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])CC2)c(C)o1 917092522 XVIZWKNHNWRKGS-UHFFFAOYSA-N 431.798 4.439 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3nc(-c4cccs4)n[nH]3)cc2[N+](=O)[O-])C1 917127815 OBYCKRXEFOCECL-CHWSQXEVSA-N 426.502 4.176 5 20 IIBD O=C(Nc1cc2ccccc2cc1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CC1 917181967 BUUQGRRWRPIDNX-UHFFFAOYSA-N 444.491 4.059 5 20 IIBD Cc1c(COC(=O)/C(=C/c2cccs2)n2nnnc2-c2ccccc2)cccc1[N+](=O)[O-] 918923512 PABWYLMCRZVOBA-MOSHPQCFSA-N 447.476 4.360 5 20 IIBD Cc1nc2cc(F)cc(C(=O)O[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2nc1C 919545515 IONQXORNQSKHEB-LLVKDONJSA-N 446.822 4.131 5 20 IIBD C[C@H](Cc1cccc(F)c1)C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 921112549 LFJIOFUMFSLEBV-LLVKDONJSA-N 428.338 4.113 5 20 IIBD O=C(c1ccc(Cl)c(I)c1)N1Cc2ccc([N+](=O)[O-])cc2C1 1319124063 ZRFBUZMWYPXCPO-UHFFFAOYSA-N 428.613 4.009 5 20 IIBD O=[N+]([O-])c1cc(Br)cnc1NCc1ccc(-n2cnc3ccccc32)nc1 1319239441 MFMXIADIJPWGCV-UHFFFAOYSA-N 425.246 4.098 5 20 IIBD C[C@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1ccc(F)cc1OC(F)F 1319800101 BBUCTNVWVDHKAL-NSHDSACASA-N 435.358 4.140 5 20 IIBD C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)c1ccc(Cl)c(F)c1 1319886910 GLDSUCJNZDVNOU-QMMMGPOBSA-N 448.619 4.483 5 20 IIBD CCN(CC)C(=O)C1=C(C)N(c2ccc(F)cc2)C(=S)N[C@@H]1c1ccc([N+](=O)[O-])s1 1320109775 POMMZMJRDNWVDA-GOSISDBHSA-N 448.545 4.374 5 20 IIBD O=C1Nc2ccccc2[C@@H]1C1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 1322334448 REQSHTKPVNBFHX-FQEVSTJZSA-N 448.504 4.306 5 20 IIBD CC[C@H](C)CC(=O)Nc1ccc(C2(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)CCC2)cc1 1786259844 IWCNKLIQYNQTRD-HNNXBMFYSA-N 425.485 4.484 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)CCC2)cc1)c1ccsc1 1787286625 CHEOCRZTDJHFHV-UHFFFAOYSA-N 437.477 4.423 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(O)cc4)cc3)CCC2)ncc1[N+](=O)[O-] 1790305452 KIOHWJJYNQBYJT-UHFFFAOYSA-N 446.463 4.065 5 20 IIBD O=C([C@H]1CC=CCC1)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3cccc([N+](=O)[O-])c3)CCC1)C2 1800016609 CYTWHKHDCXNOTL-WJMWBRGCSA-N 437.540 4.011 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1c(F)cccc1Cl 1800524844 VGTXQULHAHBPEE-QDMKHBRRSA-N 449.841 4.092 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@]2(C)C[C@@H]2C)n[nH]1 1820772045 PYYPWRRKALTJGC-UZWKXWHHSA-N 443.479 4.117 5 20 IIBD O=C(/C=C/C1CCCCC1)Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)[nH]n1 1820906239 BJTOMAXOEOAKDZ-ZPHJMFTNSA-N 440.504 4.088 5 20 IIBD COc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CC(C)(C)C)[nH]n2)ccc1[N+](=O)[O-] 1823281211 ADBDBSKKCAGSDT-INIZCTEOSA-N 443.504 4.069 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCCCN2C(=O)C2(F)CCC2)CC1 1832501552 QQKHTKQFILGYNU-OAQYLSRUSA-N 445.535 4.039 5 20 IIBD O=C(CSc1nnc(NCCc2ccccc2)s1)Nc1cc([N+](=O)[O-])ccc1Cl 10772705 NEEXRULTZOWSJQ-UHFFFAOYSA-N 449.945 4.485 5 20 IIBD O=C(Cc1csc(-c2cccc(F)c2)n1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 11164821 OIKQSQOMRSARAV-UHFFFAOYSA-N 430.413 4.010 5 20 IIBD CCCOc1c(Cl)cc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC 12251795 RJVZTSNSMIFXAZ-UHFFFAOYSA-N 436.848 4.150 5 20 IIBD Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)o2)c1 12673455 VSJSDXUOFPDVAO-UHFFFAOYSA-N 434.861 4.249 5 20 IIBD CSc1ccc(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] 16144785 FQXCMVWSQRDHLL-HNNXBMFYSA-N 447.469 4.038 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 19284469 PCFVCCVSGJMETE-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD CSCC[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)OCc1cccc(C)c1 23871335 NLIQDBPKLPQODL-QGZVFWFLSA-N 436.917 4.152 5 20 IIBD COc1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1OCc1ccncc1 31412124 KNFXBSSLWQKFRN-UHFFFAOYSA-N 434.452 4.404 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ncc(Cc3cccc(F)c3)s2)cc1OC 31992768 DNXZTBWWHKSRIT-UHFFFAOYSA-N 431.445 4.441 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 60800793 IJBJDEQMOSOTRR-UHFFFAOYSA-N 435.864 4.347 5 20 IIBD CC(C)Cc1ccc([C@@H](NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C(C)C)cc1 61092119 HHIOHTYWGYDNOB-NRFANRHFSA-N 432.542 4.324 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc2nc(C3CC3)sc2c1 63980052 BGXCKYSQWORJKD-UHFFFAOYSA-N 438.465 4.409 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc3c4c(cccc24)CC3)ccc1[N+](=O)[O-] 110326643 YGBYSNRBTCDSBD-JOCHJYFZSA-N 429.476 4.398 5 20 IIBD NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 302137376 DKXXZZDVUWJKRV-UKRRQHHQSA-N 429.420 4.009 5 20 IIBD O=C(c1cc(N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)ccc1[N+](=O)[O-])N1CCCC1 302147005 GWPNIHCEWIVIFX-HXUWFJFHSA-N 449.429 4.428 5 20 IIBD O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 410169095 GNYIUMZMFXIKOE-UHFFFAOYSA-N 440.349 4.443 5 20 IIBD CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 426865003 SQCXQBLLPHMZEC-FQEVSTJZSA-N 436.859 4.310 5 20 IIBD C[C@@H](c1cccnc1)N1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 426870073 ZBOYYUCFMSVVRR-IBGZPJMESA-N 446.507 4.088 5 20 IIBD O=C(NCc1ccc(OCC(F)(F)F)cc1)c1ccc(Br)cc1[N+](=O)[O-] 429835487 YFODACNMVQXNJS-UHFFFAOYSA-N 433.180 4.228 5 20 IIBD Cc1c(NC(=O)C(=O)NC[C@H](c2ccccc2)C(C)C)cc(Br)cc1[N+](=O)[O-] 430328344 DWONQLGHLJCXLJ-INIZCTEOSA-N 448.317 4.160 5 20 IIBD CCN([C@@H](c1cccnc1)c1ccc(F)c(C)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 431920756 FWJANGKVQUKIBQ-OAQYLSRUSA-N 429.473 4.238 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)C1CCC(C(F)(F)F)CC1)c1ccccc1[N+](=O)[O-] 435639612 VOTTWQUYXYTQKU-ZBCRRDGASA-N 430.423 4.463 5 20 IIBD CN(C)CCc1ccccc1NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 438571442 YWRRHHLHKILOPD-UHFFFAOYSA-N 448.310 4.444 5 20 IIBD CC(C)[C@@](C)(O)CNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 440569356 QWNFCGCTGPSHQM-FQEVSTJZSA-N 431.539 4.493 5 20 IIBD O=C(NCC1CCN(CC(F)(F)F)CC1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 444917323 DJMARSMWIXHFTK-UHFFFAOYSA-N 428.333 4.009 5 20 IIBD O=C(Cc1noc(-c2cc3cc([N+](=O)[O-])ccc3o2)n1)Nc1ccccc1Br 445478123 QJTWIJKLPSJVAR-UHFFFAOYSA-N 443.213 4.335 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cnn(C)c3C(F)(F)F)cc2[N+](=O)[O-])C1 446375483 ZXIBXSJHNGTYDP-TXEJJXNPSA-N 425.411 4.082 5 20 IIBD COc1cc(C(=O)N[C@H](C)c2cccc(N3CCCC3)c2)c([N+](=O)[O-])cc1OC(F)F 446497604 YWYKLXBCMBZNQH-CYBMUJFWSA-N 435.427 4.296 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CC[C@](C)(c2ccccc2)C1 446558100 SABJNUMXUHACFB-OFNKIYASSA-N 443.931 4.193 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNCC2CCN(C3CC3)CC2)cc1 446884871 RWJUWNHSWASTGS-UHFFFAOYSA-N 431.540 4.412 5 20 IIBD COc1cc(CNc2ccc(C(=O)NC3CC3)cc2)c([N+](=O)[O-])cc1OCC(F)(F)F 446888170 DSGGNKZEVBDLGM-UHFFFAOYSA-N 439.390 4.049 5 20 IIBD C[C@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 446956777 JVEDPQZWAABCJM-CYBMUJFWSA-N 439.331 4.347 5 20 IIBD C[C@H](c1ncc(-c2ccccc2)o1)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 460361602 HMEZAPCHJBOQRI-MRXNPFEDSA-N 432.484 4.399 5 20 IIBD C[C@@H](CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)Oc1cccc(F)c1 460508295 OSWOYIAJAZFLRV-JKSUJKDBSA-N 438.459 4.499 5 20 IIBD O=[N+]([O-])c1ccccc1CN(c1nnc([C@H]2CCCO2)n1Cc1cccs1)C1CC1 461481081 PKXICRDOUUDVNT-LJQANCHMSA-N 425.514 4.317 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(c1nnc(CCc3ccco3)n1Cc1cccs1)CC2 461493092 BAQVDZIMOFLHMZ-UHFFFAOYSA-N 435.509 4.237 5 20 IIBD C[C@@H](c1c(F)cccc1F)N(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCOC1 461681121 CBMCACDLRWFDOR-LSDHHAIUSA-N 443.454 4.365 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H](c1ccccc1)c1cccnc1 462138370 LSPRCVHTECHDLU-KRWDZBQOSA-N 438.292 4.365 5 20 IIBD O=[N+]([O-])c1cccc(CNc2cccc(S(=O)(=O)N3CCc4sccc4C3)c2)c1 462208617 HNVUJBHXLDGEFZ-UHFFFAOYSA-N 429.523 4.015 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 462753883 JPZOWDZNDKVWLH-XXBNENTESA-N 425.529 4.125 5 20 IIBD COC(=O)[C@@H](C)NC(=O)c1ccc(N[C@H](C)c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 462888480 ODQZZNIWVDOTBM-VXGBXAGGSA-N 439.390 4.078 5 20 IIBD CN(CC(=O)Nc1ccccc1-c1n[nH]c(-c2ccccc2)n1)c1ccccc1[N+](=O)[O-] 463276732 CBOYYIFUHSIXEW-UHFFFAOYSA-N 428.452 4.122 5 20 IIBD CO[C@@H](C)c1nc(CN2CCCN(C(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)CC2)cs1 463956353 YRFDKTTULRVDDJ-INIZCTEOSA-N 447.561 4.115 5 20 IIBD O=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465714149 DALXTIUZOMBQOJ-YADHBBJMSA-N 443.475 4.207 5 20 IIBD CCOc1c(Cl)cc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1OC 466559594 QMPODRWSYKYOLW-UHFFFAOYSA-N 428.272 4.308 5 20 IIBD C[C@H](CC[S@@](C)=O)NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 469330754 JXPLAPLYLLFKRX-KHXSAUHESA-N 426.947 4.286 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](c3c(F)cccc3F)C2)c(C(F)(F)F)c1 469395060 HHFJOSYXGGGZHS-SNVBAGLBSA-N 436.358 4.070 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(I)ccc1Cl 471220693 PKUDIRVZLZDVEX-UHFFFAOYSA-N 430.629 4.125 5 20 IIBD CC[C@@H](NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)[C@H]1CN(Cc2ccccc2)CCO1 473816854 IPYMVMSAOYRSRC-TZIWHRDSSA-N 426.517 4.013 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1N(C)C1CCN(C)CC1 475566127 RRFCWCLDRRYBQK-LEWJYISDSA-N 431.581 4.013 5 20 IIBD O=C(Nc1ccc(Cl)c(C(=O)NCc2ccccc2F)c1)c1cc(O)cc([N+](=O)[O-])c1 476007436 OMNCJUSWWFNLLW-UHFFFAOYSA-N 443.818 4.275 5 20 IIBD O=C([C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1CCC(c2ccc(Cl)cc2)CC1 476453048 QJGOBDDMQLOHLN-QGZVFWFLSA-N 447.944 4.321 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3ncsc3-c3ccccc3)CC2)ccc1[N+](=O)[O-] 477380915 KSLAJODKSPKOOZ-UHFFFAOYSA-N 438.509 4.079 5 20 IIBD CCn1c(S[C@@H]2CCN(c3cccc(Cl)c3)C2=O)nnc1-c1ccc([N+](=O)[O-])cc1 481338527 CCBDKGGBZBEYSD-QGZVFWFLSA-N 443.916 4.424 5 20 IIBD Cc1nc(-c2ccc(C)c(NC(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)c2)n[nH]1 482769949 SGUABQJACGSGAE-UHFFFAOYSA-N 445.483 4.111 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N(CCC(F)(F)F)Cc1ccccc1 484576978 RGPOQKWBVWLIRP-UHFFFAOYSA-N 429.782 4.168 5 20 IIBD COc1cc(C(=O)NC[C@@H](c2ccccc2)C(F)(F)F)c([N+](=O)[O-])cc1OC(F)F 485615612 UQGDXYGMDATFJD-LBPRGKRZSA-N 434.317 4.281 5 20 IIBD O=C(CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])Nc1ccc(Cl)cc1 485751175 DQBIFZQEBPWHTI-UHFFFAOYSA-N 439.855 4.196 5 20 IIBD C[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1Br)c1cccc([N+](=O)[O-])c1 485873032 KIYBJUACLOJHGY-JTQLQIEISA-N 433.711 4.191 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)C(F)(F)F)c(C(F)(F)F)c1 485917421 CAPQEQBEQKTGGV-ZDUSSCGKSA-N 442.337 4.238 5 20 IIBD CSc1cccc(C(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c1[N+](=O)[O-] 486226068 DQBFMUOJBUMWIR-HNNXBMFYSA-N 439.459 4.340 5 20 IIBD O=C(N[C@@H]1CCN(c2ccccc2OC(F)F)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 487318653 DGDGGDLLVLQLJR-MRXNPFEDSA-N 446.454 4.149 5 20 IIBD CC(C)S(=O)(=O)Cc1cccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 487498482 FKQMWNUJDQNRSU-UHFFFAOYSA-N 445.522 4.294 5 20 IIBD Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 488995771 VQLCDLIKXLLUMY-QHCPKHFHSA-N 433.512 4.425 5 20 IIBD O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCc1ccc(Oc2cccc(Cl)c2Cl)cc1 489601980 DCVVGUFUWIPOCH-UHFFFAOYSA-N 448.262 4.172 5 20 IIBD COCC(=O)N1CCc2cc(NC(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)ccc21 493999668 LEKPFRRQQWKFOT-UHFFFAOYSA-N 446.463 4.126 5 20 IIBD CCCCNC(=O)[C@@H]1CCCN(c2c([N+](=O)[O-])cnc3ccc(Br)cc23)C1 496125977 CIFUYVDWVFRBJV-CYBMUJFWSA-N 435.322 4.038 5 20 IIBD Cc1ccc(OCc2ccc(C(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)o2)c(C)c1 498383640 IKXYIGLYSBAZEG-UHFFFAOYSA-N 435.480 4.346 5 20 IIBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)[C@H]1C[C@@H]1c1ccc(Br)cc1 499287565 LRSWYHSVTOYFOJ-KGLIPLIRSA-N 433.258 4.261 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(NC(=O)c2ccncc2)cc1 501735229 NIFLVSKSISMBIC-HNNXBMFYSA-N 436.493 4.039 5 20 IIBD COc1ccc(Oc2cc(CNC(=O)CSc3ccc([N+](=O)[O-])cc3)ccn2)cc1 501892427 ZPGMVEIFNNWTCL-UHFFFAOYSA-N 425.466 4.199 5 20 IIBD COc1ccc(Cn2ncc(C)c2NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc1OC 502676057 PLZQXPJZTWFYKK-UHFFFAOYSA-N 442.497 4.139 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 504077535 SRKDNWIDLCLEON-INIZCTEOSA-N 442.541 4.291 5 20 IIBD COc1ccc(/C=C2/CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)c(Br)c1 504743779 XXYSVOKIMXLBKH-WQLSENKSSA-N 428.242 4.020 5 20 IIBD C[C@@H](c1ccc(OC(F)(F)F)cc1)[S@](=O)CCC(=O)Nc1ccccc1[N+](=O)[O-] 507712262 AKGWTCIORRHCTE-WUTCKBNWSA-N 430.404 4.332 5 20 IIBD O=C(NCc1ccccc1Cn1cncn1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 507789057 FWCPXWOFNVTSDX-UHFFFAOYSA-N 445.504 4.316 5 20 IIBD C[C@H](CCN1CCOCC1)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 511084731 DYYONQFMBGNXMG-OAHLLOKOSA-N 449.960 4.240 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N(C)Cc2ccc(OCC(F)(F)F)cc2)c([N+](=O)[O-])c1 511091695 QMVSIMOSGBKUID-ZDUSSCGKSA-N 441.406 4.004 5 20 IIBD COc1cc(CCNC(=O)CCc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])cc1OC 511500799 ZVNUPMIQNVMZBW-UHFFFAOYSA-N 427.284 4.210 5 20 IIBD Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 513000348 YJJHMCOKOCOOTP-UHFFFAOYSA-N 431.496 4.041 5 20 IIBD CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)s1 513090951 XJPYFEWNEZTVPB-QWHCGFSZSA-N 429.502 4.022 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)c1 517874587 BKKPDEZMVQKLHA-UHFFFAOYSA-N 427.360 4.407 5 20 IIBD CS(=O)(=O)c1cc(C(=O)N(Cc2ccccc2)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1 517903647 QWRHWPKAABUUBJ-UHFFFAOYSA-N 444.896 4.499 5 20 IIBD Cc1csc(-c2cccc(NC(=O)CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])c2)n1 518136981 LVKPNWXSZSIUIP-UHFFFAOYSA-N 430.873 4.049 5 20 IIBD CCCCOc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c(C)c1 518372560 DLSDZIBOGZRTHB-QGZVFWFLSA-N 431.514 4.387 5 20 IIBD Cc1cccn(Cc2c(F)cccc2NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c1=O 519842122 OUOMBKGSPBFDFK-CQSZACIVSA-N 427.407 4.134 5 20 IIBD Cc1onc(-c2cccc(Br)c2)c1-c1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 521113939 ZNFIEBBBAHQMEW-UHFFFAOYSA-N 445.233 4.080 5 20 IIBD C[C@@H](NC(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1cccc([N+](=O)[O-])c1 522048828 CNGXKQIKERNEBL-KDOFPFPSSA-N 434.899 4.412 5 20 IIBD O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@H]1C[C@@H]1c1ccc(Br)cc1 522357519 SFFOKJZZPBPRRR-CVEARBPZSA-N 427.258 4.490 5 20 IIBD Cc1ccc2sc(N(Cc3ccccc3)C(=O)Cn3cccc([N+](=O)[O-])c3=O)nc2c1C 523952086 RLMNLHLFLHMSGY-UHFFFAOYSA-N 448.504 4.216 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)ccc1[N+](=O)[O-] 524549460 BJRRTNXMUKURJS-UHFFFAOYSA-N 431.514 4.109 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2C(F)(F)F)c1 525656112 FSPBZPHFPKBGHR-QGZVFWFLSA-N 437.374 4.292 5 20 IIBD Cc1nc(SCC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c2c(C)c(C)sc2n1 531273266 HILHLZKEQZCIFF-UHFFFAOYSA-N 428.539 4.202 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCN(c2ccccc2O)CC1 531923888 YCHFKXFIFSXYOP-UHFFFAOYSA-N 434.452 4.447 5 20 IIBD COc1ccc(CN(C)[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 532772226 LIDYNDCZFHEDJU-AWEZNQCLSA-N 426.498 4.186 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnn(-c2cnc3ccccc3n2)c1 534762563 OKFFKYOWPIUHHP-UHFFFAOYSA-N 431.456 4.166 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CC[C@@H](C4CCN(C)CC4)C3)cc2[N+](=O)[O-])n1 535142248 MGQAXOVWACUVBG-QGZVFWFLSA-N 446.598 4.315 5 20 IIBD CCN(C(=O)[C@H](C)[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCCC1 535512090 WRCOGIQTXGKASS-JGVYIQDASA-N 433.530 4.068 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCN(c2ccc(F)cc2Cl)CC1 536074913 JFKABSUBVPOYRB-UHFFFAOYSA-N 446.891 4.473 5 20 IIBD CCc1ccc(C2=CCN(C(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)CC2)cc1 536778713 ODIXGCDZFXJEEI-UHFFFAOYSA-N 449.536 4.366 5 20 IIBD O=C(Nc1ccc(F)cc1OCC(F)F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 536913018 BBVZIYHCLIYMTL-UHFFFAOYSA-N 439.390 4.453 5 20 IIBD NC(=O)COc1cccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c1 537720891 XXGFWKOXEPYJML-UHFFFAOYSA-N 446.257 4.094 5 20 IIBD O=C(NC[C@H]1CCCCN1C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1ccccc1 538388347 ZNKDNBPQRIFMQP-HXUWFJFHSA-N 444.491 4.082 5 20 IIBD C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 540134853 UAPJHFKQKZXSNQ-GFCCVEGCSA-N 436.295 4.167 5 20 IIBD Cc1c(NC(=O)[C@H](C)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)cccc1[N+](=O)[O-] 540863875 HTRNJHDNCDXCST-WMZOPIPTSA-N 440.548 4.276 5 20 IIBD Cc1c(C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)nnn1-c1cccc([N+](=O)[O-])c1 542980221 ZJKLGALRSPSUBO-UHFFFAOYSA-N 431.399 4.192 5 20 IIBD COc1cc(OCc2nc(Cc3ccc(Br)cc3C)no2)ccc1[N+](=O)[O-] 545078347 IMAYSJLWUBRDLZ-UHFFFAOYSA-N 434.246 4.227 5 20 IIBD COC(=O)c1cc(-c2nc(-c3ccc(OCc4ccccc4)nc3)no2)cc([N+](=O)[O-])c1 545670932 JZNRBSONBCWREM-UHFFFAOYSA-N 432.392 4.072 5 20 IIBD C[C@]1(c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)CCCN(C(=O)c2ccccc2)C1 546559017 JTBXYVPRYPGNFF-DEOSSOPVSA-N 445.479 4.244 5 20 IIBD Cc1ccccc1C1CCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 551753289 LDWQSGGVJXARSH-UHFFFAOYSA-N 446.301 4.010 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cc(Br)ccc1Br 552607078 MVOMVWLUGDBYOL-UHFFFAOYSA-N 442.107 4.435 5 20 IIBD COc1ccccc1O[C@@H]1CCCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 553937866 LTFLQFVHPYHZTB-HXUWFJFHSA-N 427.501 4.179 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC[C@@H](Sc2cccc(Cl)c2)C1 554264527 RRUZXBQFNTZQIJ-MRXNPFEDSA-N 428.901 4.441 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cc(Br)c(C)cc3OC)n2)c1 554823648 JYXXGLINQDLIRW-UHFFFAOYSA-N 434.246 4.324 5 20 IIBD CC(C)c1cc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(O)c(C(C)C)c1 557395108 LCGFUKIMIKPYQH-UHFFFAOYSA-N 439.512 4.145 5 20 IIBD C[C@@H](CO)N(C[C@H](C)c1ccccc1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 557861119 LUNNDRKYVBPDJV-STQMWFEESA-N 447.340 4.077 5 20 IIBD CC(C)(C(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1ccccc1[N+](=O)[O-] 559836894 LASBFEKUPROZTQ-AWEZNQCLSA-N 437.418 4.166 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(OCC(=O)NC3CC3)c2)no1 561883359 KOLOOJPOKHVTQL-INIZCTEOSA-N 436.468 4.039 5 20 IIBD NC(=O)c1ccnc(NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)c1[N+](=O)[O-] 573376426 AQGZSKKDUKISCT-MRXNPFEDSA-N 435.871 4.467 5 20 IIBD CC(=O)N(c1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1)[C@@H]1C[C@H]1C 577435313 JHFHMCQLBQCUFP-PIGZYNQJSA-N 432.274 4.371 5 20 IIBD O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCC[C@@H](OCC(F)(F)F)C1 579459821 ZCGVOOSSWGGEJA-QGZVFWFLSA-N 438.402 4.357 5 20 IIBD Cc1cnn([C@@H]2CCN([C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c3ccccc3)C2)c1 580261761 WBKXRVHMGJNOJP-WIYYLYMNSA-N 439.903 4.380 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccccc1)c1noc(-c2cc(O)nc3ccc([N+](=O)[O-])cc23)n1 581633982 RZECQTHVDXHDAE-LJQANCHMSA-N 433.424 4.026 5 20 IIBD CC(=O)Nc1cccc2c1CCN(c1nnc(-c3cccc([N+](=O)[O-])c3)n1CC(C)C)C2 589648252 QOUWMLUVIASBMV-UHFFFAOYSA-N 434.500 4.030 5 20 IIBD CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cccs1)[C@@H]1CCCc2c1cnn2C 589663056 CWOHMEGKHMZEPT-LJQANCHMSA-N 449.540 4.210 5 20 IIBD CCOC(=O)c1sc2nc(CN(C)C)nc(N[C@@H](C)c3cccc([N+](=O)[O-])c3)c2c1C 603867207 BOSNBRCALXQWEE-ZDUSSCGKSA-N 443.529 4.319 5 20 IIBD C[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(OCc2ccccn2)c1 603982637 MZSYYWZFHCROKN-KRWDZBQOSA-N 443.463 4.246 5 20 IIBD O=C(Nc1cccc(-c2n[nH]c3c2CCCC3)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 604240629 FRZVEEQNWAVYDT-UHFFFAOYSA-N 428.452 4.302 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 604470585 RLSJGZJBJLQBQD-ZCYQVOJMSA-N 443.503 4.391 5 20 IIBD CN(C)C(=O)c1cc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)ccn1 609637411 WOAYVYNOWYVJTP-UHFFFAOYSA-N 440.843 4.390 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cccc(C[S@](=O)c2ccccc2)c1 609653467 OYXNNIIMLNGQOI-HKBQPEDESA-N 433.489 4.496 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 610100990 LVFNMUCPVKCJTQ-KRWDZBQOSA-N 432.471 4.021 5 20 IIBD CCN(CCOc1ccc(Br)cc1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 610216750 PAEVSYFGFFWKKO-UHFFFAOYSA-N 447.289 4.308 5 20 IIBD CCN(C)C(=O)COc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 610287884 VEUMPYHAWAUYDK-UHFFFAOYSA-N 426.256 4.011 5 20 IIBD CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2CNCCn2cc([N+](=O)[O-])cn2)cc1 610890251 ZNCJMSSMIXJMFU-UHFFFAOYSA-N 446.511 4.221 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 610900181 FHDSBYWTPAUKHI-AOOOYVTPSA-N 435.118 4.170 5 20 IIBD CCOc1ccccc1CN(CCCn1ccnc1)c1ncnc2ccc([N+](=O)[O-])cc12 611710569 CSCLRDWZAZNKBL-UHFFFAOYSA-N 432.484 4.230 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccccc2OCCN(C)C)no1 612937162 ABWVSXJUKXNMBI-CYBMUJFWSA-N 432.864 4.379 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 731057866 NRXTXULQVNPTKJ-FQEVSTJZSA-N 441.484 4.443 5 20 IIBD O=C(OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccc(OC2CCCC2)c1 731289236 PUCACBVANHRSDB-UHFFFAOYSA-N 432.860 4.156 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCc2ccc([C@@H](C)O)cc2)c([N+](=O)[O-])c1 732567658 PUEKRIPYZWIRKN-OAHLLOKOSA-N 434.448 4.278 5 20 IIBD O=C(OCc1ccc(Cl)nc1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 736863361 KASIYCKMKDWFMQ-UHFFFAOYSA-N 427.631 4.493 5 20 IIBD O=C(COC(=O)c1cccc(Oc2nccs2)c1)Nc1ccc([N+](=O)[O-])cc1Cl 736926905 JLPNAGITNNEQKQ-UHFFFAOYSA-N 433.829 4.293 5 20 IIBD CCOc1cc(N2CCC(OC(=O)C3(c4cccc(F)c4)CC3)CC2)ccc1[N+](=O)[O-] 744204040 NPOOIIHKFUJKMW-UHFFFAOYSA-N 428.460 4.376 5 20 IIBD CSc1cccc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 744554961 ZWUFMIDYWICBNY-HNNXBMFYSA-N 443.525 4.491 5 20 IIBD Cc1ccc2nc(C3CC3)cc(C(=O)OCC(=O)N3CCc4ccc([N+](=O)[O-])cc43)c2c1 747047577 BKGKQEIIEXOLRB-UHFFFAOYSA-N 431.448 4.075 5 20 IIBD C[C@@H](OC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)c1ccccc1-c1ccccc1 748037845 KZPTYIWNQSIPOV-MRXNPFEDSA-N 432.432 4.292 5 20 IIBD CCCCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1OC 748620299 ARNRTMICWWXKRW-UHFFFAOYSA-N 431.445 4.237 5 20 IIBD CCOC(=O)C1=C(C)N(Cc2cccs2)C(=O)N[C@@H]1c1cc([N+](=O)[O-])ccc1OCC 748688715 AZQZEVUXZUJKAR-LJQANCHMSA-N 445.497 4.159 5 20 IIBD C[C@@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1noc(Cc2ccccc2)n1 755022533 QXLUADZJSPUTTL-LLVKDONJSA-N 446.261 4.214 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)O[C@H](C)CCn2cccn2)cc1[N+](=O)[O-] 755828688 VKYXMLNJVROOIU-OAHLLOKOSA-N 439.493 4.380 5 20 IIBD Cn1c(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2OCc2ccccc2)ccc1[N+](=O)[O-] 756297976 PKEXPRVNXGIEPL-UHFFFAOYSA-N 430.804 4.326 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 757081900 LWHFNOIYPPHSPA-JOCHJYFZSA-N 448.504 4.218 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 760858757 ADMSKCYJPMTIKQ-DOTOQJQBSA-N 430.505 4.375 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 764194372 VYWQYDUXYSKFGU-OAQYLSRUSA-N 448.516 4.058 5 20 IIBD C[C@@H](NC(=O)N1CCC(O)(c2ccccc2C(F)(F)F)CC1)c1cccc([N+](=O)[O-])c1 765468737 XJQAOFCNGNNHDV-CQSZACIVSA-N 437.418 4.368 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)C1 765834715 BDDOOBZLVGURFV-BEFAXECRSA-N 435.546 4.206 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 765924918 CARJSWOVFIJCEW-UHFFFAOYSA-N 428.794 4.391 5 20 IIBD CCS[C@H](C)c1noc(COC(=O)c2cc([N+](=O)[O-])c(Br)cc2F)n1 767365485 MZXHHEYDJNBPCA-SSDOTTSWSA-N 434.243 4.051 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(O)(c2ccccc2Cl)CC1 769817117 NFCSABNVGDAGFW-CYBMUJFWSA-N 438.311 4.212 5 20 IIBD CCSc1cccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 769855585 SKYWQHKULZHQJV-SFHVURJKSA-N 428.539 4.138 5 20 IIBD COc1cc(COC(=O)c2ncoc2-c2ccc(F)cc2)c([N+](=O)[O-])cc1OC(F)F 770464348 CIXKEQAOZIWDRW-UHFFFAOYSA-N 438.314 4.356 5 20 IIBD O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)c([N+](=O)[O-])c1N[C@@H]1CCC[C@H]2OCC[C@@H]12 771170045 IOQIVXKROOTXEB-XNCJAFBWSA-N 446.504 4.242 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCC1CCN(Cc2ccco2)CC1 772690755 OTRXNFPBZPTLBR-UHFFFAOYSA-N 430.504 4.203 5 20 IIBD Cc1nc(Br)ccc1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 773717435 BLWRLMOKNZTKNM-UHFFFAOYSA-N 429.068 4.384 5 20 IIBD C[S@](=O)c1cccc(C(=O)O[C@@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])c1 774376127 YUVDSQKAHOKYEH-QMTYFTJSSA-N 440.315 4.140 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(NCc3ccc(Br)c([N+](=O)[O-])c3)cc2)C[C@@H](C)O1 775182442 FKGNTURSVBVHHZ-OKILXGFUSA-N 448.317 4.219 5 20 IIBD CSc1cccc(C(=O)NCc2ccc(CCNC(=O)OC(C)(C)C)cc2)c1[N+](=O)[O-] 776814161 ADAHVERFNJIACJ-UHFFFAOYSA-N 445.541 4.314 5 20 IIBD O=[N+]([O-])c1ccn(C2CCN(Cn3nc(-c4ccc5ccccc5c4)oc3=S)CC2)n1 782859314 HKOSIOFVVBANOJ-UHFFFAOYSA-N 436.497 4.425 5 20 IIBD CSc1ccc(C(=O)Nc2ccc(OCCNC(=O)OC(C)(C)C)cc2)cc1[N+](=O)[O-] 784128505 FHJYWAJSOGUKAS-UHFFFAOYSA-N 447.513 4.473 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Oc2ccc(-c3ncn(C)n3)cc2)cc1 787096149 RLVXFSZBRDGERX-UHFFFAOYSA-N 446.419 4.410 5 20 IIBD Cc1cc(C)n(-c2ccc(CCNC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])cc2)n1 790542442 LURVGWSFNWBHHN-UHFFFAOYSA-N 430.867 4.091 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)NC2CCN(Cc3coc(-c4ccccc4)n3)CC2)c1F 791034096 FDGKVNLDHVOXFZ-UHFFFAOYSA-N 438.459 4.092 5 20 IIBD CN(Cc1ccc(Br)cc1Cl)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 791360319 IALSHZDEKALVGU-UHFFFAOYSA-N 428.626 4.191 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCc1cccc(-c2ccccn2)c1 800976965 KXXFVGZKZFMCOT-UHFFFAOYSA-N 433.420 4.088 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCOc2ccc(Br)cc2C1 802256188 JYPKBQICWWGHIK-UHFFFAOYSA-N 443.656 4.114 5 20 IIBD CC(C)c1noc(Cc2ccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)n1 802722568 USONMDUXAWMEDH-UHFFFAOYSA-N 436.877 4.146 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 803425932 SYVRUMDXQGSDGN-MRXNPFEDSA-N 432.402 4.370 5 20 IIBD Cc1cc(SC(C)(C)C)ccc1NC(=O)C(=O)N(C)CCc1ccccc1[N+](=O)[O-] 807297357 AWHVISVNVVXCEP-UHFFFAOYSA-N 429.542 4.433 5 20 IIBD Cc1c(Br)cc(C(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] 807793137 UNXCFZLWMQKSER-HNNXBMFYSA-N 447.207 4.148 5 20 IIBD COCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1ccc(Cl)c([N+](=O)[O-])c1 808056297 MGZLWYGEFUITBG-UHFFFAOYSA-N 448.781 4.310 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 808725196 PPHXKKREFCLHCW-NCXUSEDFSA-N 435.569 4.196 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F 809125887 BOAYURAOUYKXAX-AWEZNQCLSA-N 425.285 4.355 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(-c3c(Cl)nc4cc(Cl)ccn34)no2)ccc1-n1ccnc1 809527599 FBIKMTZGPGIXHU-UHFFFAOYSA-N 442.222 4.452 5 20 IIBD CCOc1ccc([C@H](O)C2CCN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1 812865514 FTBYEXFCMVKBCN-QFIPXVFZSA-N 447.919 4.031 5 20 IIBD COC(=O)[C@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccc(Cl)c(F)c1 813099996 JUMLRJXYZCUCMQ-CYBMUJFWSA-N 435.622 4.338 5 20 IIBD CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 813158536 VLEIFMKYEGNTCU-LLVKDONJSA-N 434.823 4.297 5 20 IIBD C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](C)c1ccc(N2CCCOC2=O)cc1 815635174 YHTRCUSBCSPZCR-JKSUJKDBSA-N 426.473 4.009 5 20 IIBD COc1ccc(-c2nc(CC(=O)Nc3cc([N+](=O)[O-])c(F)cc3F)cs2)cc1OC 825488342 YEMRXOFDHIAVTO-UHFFFAOYSA-N 435.408 4.195 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1nc(Cl)ccc1Cl 864244870 RWZFSOBZHNBRSF-UHFFFAOYSA-N 436.255 4.397 5 20 IIBD O=C(Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 864306067 GAWNKUUUXVUIHO-UHFFFAOYSA-N 436.352 4.480 5 20 IIBD CC(C)(C)OC(=O)NCCN1C(=O)c2ccccc2N[C@H]1/C=C/c1ccccc1[N+](=O)[O-] 877852787 FMSIAXATSASRNS-DRUFCSCSSA-N 438.484 4.027 5 20 IIBD CCCN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)[C@@H](C)c1ccccc1OC 914508500 LEIYRAYASZJANV-KRWDZBQOSA-N 427.501 4.053 5 20 IIBD C[C@H](OC(=O)c1cc2cc(Br)ccc2o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 915422644 OSYHJAQRJZKGGB-JTQLQIEISA-N 433.214 4.288 5 20 IIBD COc1cc([C@H](C)NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCC(C)C 915785312 LIYJENHPFCSZPV-ZDUSSCGKSA-N 449.891 4.108 5 20 IIBD C[C@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 917875149 OONIZKWSBHMWDQ-LLVKDONJSA-N 439.287 4.485 5 20 IIBD Cn1c(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cc2ccccc21 918634342 RQKGNWCHPJJPRV-IBGZPJMESA-N 435.480 4.328 5 20 IIBD Cn1c(COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)nc2cc(Cl)ccc21 919055841 RFZWIFVULZZBNG-UHFFFAOYSA-N 431.879 4.438 5 20 IIBD CCOc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 919580946 BTRJAZLRNXJQHN-NSHDSACASA-N 426.347 4.196 5 20 IIBD Cc1ccc2c(COC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])cc(=O)oc2c1C 920777716 FXYNFBYXZKQXBV-ZDUSSCGKSA-N 431.828 4.482 5 20 IIBD Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 920814988 HFIYESMCPGQOQI-DKSSEZFCSA-N 429.904 4.158 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3ccc(-n4ccnc4)cc3)cc2[N+](=O)[O-])C1 921148407 GLHFGBXOLOTQMK-QZTJIDSGSA-N 433.512 4.193 5 20 IIBD O=C(CCCc1ccc2nc(O)[nH]c2c1)OCc1ccc([N+](=O)[O-])cc1Br 1116637550 DEMZWAGSCFJAFZ-UHFFFAOYSA-N 434.246 4.005 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CNCCS(=O)(=O)CCc2ccccc2)o1 1116928916 ZXGDNGYARBBTLJ-UHFFFAOYSA-N 448.928 4.255 5 20 IIBD C[C@@]1(c2ccc(Cl)s2)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2Br)C1=O 1255164717 LIGCWSFODYREHH-HNNXBMFYSA-N 444.694 4.039 5 20 IIBD O=C([C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)N1Cc2ccc([N+](=O)[O-])cc2C1 1318732028 QSZTZPNWHXBZSD-GOSISDBHSA-N 434.279 4.049 5 20 IIBD COc1cc(CCNC(=O)C2(c3ccc(C(C)(C)C)cc3)CC2)c([N+](=O)[O-])cc1OC 1321605863 ZFZNQCFBMNVGFL-UHFFFAOYSA-N 426.513 4.300 5 20 IIBD COc1ccccc1OCc1nnc(-c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)o1 1329042211 LURWXUVXXNTPRF-UHFFFAOYSA-N 435.440 4.094 5 20 IIBD O=C(O)c1ccc(-c2ccc(/C=C3/CCn4c3nc3ccc([N+](=O)[O-])cc3c4=O)o2)cc1 1338653331 JXCCQSJLMABTEB-PTNGSMBKSA-N 429.388 4.207 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(OC)cc(Br)c1OC 1339824654 LCJKSIFUWUUDPQ-UHFFFAOYSA-N 425.235 4.026 5 20 IIBD CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)CCC2)cc1 1787706175 PYEVUGRZMBLRLW-UHFFFAOYSA-N 435.484 4.265 5 20 IIBD C[C@H]1C[C@@]1(C)C(=O)Nc1ccc(C2(NC(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)CCC2)cc1 1790423900 CSLBZTKADHAFEI-LFVRLGFBSA-N 447.495 4.265 5 20 IIBD Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cc(O)cc([N+](=O)[O-])c4)cc3)CCC2)o1 1790758254 VIJSDZQEMBTRFK-UHFFFAOYSA-N 449.463 4.192 5 20 IIBD Cc1csc(CCC(=O)N2CCCC3(CCN(C(=O)c4ccc([N+](=O)[O-])o4)CC3)C2)c1 1807047050 QZRQAPOGIWIBPA-UHFFFAOYSA-N 445.541 4.035 5 20 IIBD Cc1c(C(=O)N2CCCC23CN(C(=O)[C@@H](F)c2ccccc2)C3)cc(Cl)cc1[N+](=O)[O-] 1845498772 PYMCUVUWYFGIRJ-IBGZPJMESA-N 445.878 4.084 5 20 IIBD C[C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 9636768 PHLGPXQKVAPNBE-LBPRGKRZSA-N 427.461 4.447 5 20 IIBD Cc1cc(Cl)ccc1NC(=O)COC(=O)Cn1c2ccccc2c(=O)c2ccccc21 10722666 HIAOZHUAHIIRRD-UHFFFAOYSA-N 434.879 4.298 5 20 IIBD CCOc1ccc(N2C(=O)c3ccc(C(=O)Nc4cccc([N+](=O)[O-])c4)cc3C2=O)cc1 15629289 HCWITHOCPVCJJU-UHFFFAOYSA-N 431.404 4.046 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Sc2nc(C3CC3)n(-c3ccccc3)n2)c([N+](=O)[O-])c1 16795312 MZAGWHNCEHFKFO-ZDUSSCGKSA-N 439.497 4.181 5 20 IIBD CCN(Cc1ccc(OC)c(OC)c1)C(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1 18275309 IIBUGOLVMJVMFH-UHFFFAOYSA-N 447.538 4.363 5 20 IIBD COc1ccc2cc([C@H](C)C(=O)OCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)ccc2c1 18441348 FJKGXRMGGHENIZ-ZDUSSCGKSA-N 426.400 4.181 5 20 IIBD CCOc1ccc(C(=O)Nc2ccc(C)c(I)c2)cc1[N+](=O)[O-] 19006327 MQFDRTHHTJFRHQ-UHFFFAOYSA-N 426.210 4.159 5 20 IIBD C[C@@H](OC(=O)c1ccccc1OC(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 21455548 TVPCKWDXRLNHQL-SECBINFHSA-N 448.300 4.399 5 20 IIBD CCCCSc1nnc(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)s1 22489753 ZBKCVFHWGSYXCC-SNVBAGLBSA-N 428.561 4.466 5 20 IIBD CCC(C)(C)NC(=O)[C@@H](C)OC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 23968946 OBNFIZOAVQEKGO-GFCCVEGCSA-N 437.543 4.361 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(OC(F)F)cc2OC(F)F)cc1C 60443121 PNFOYGVWQNLAEZ-UHFFFAOYSA-N 438.355 4.215 5 20 IIBD CCOc1cc(NC(=O)COc2cccc3c2OC(C)(C)C3)c([N+](=O)[O-])cc1OCC 61126273 BKYWUTOGLATWEW-UHFFFAOYSA-N 430.457 4.123 5 20 IIBD CCOc1ccc(Oc2ccccc2NC(=O)C(=O)NCc2ccccc2[N+](=O)[O-])cc1 62032784 OEDMAPVKYBLUBR-UHFFFAOYSA-N 435.436 4.041 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)c1ccccc1[N+](=O)[O-] 105863864 BPYDNMVLMUPBKZ-RHSMWYFYSA-N 434.876 4.215 5 20 IIBD CN(C)C(=O)c1ccc(CNCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)[nH]1 237068114 TVBOQEZWNHWNQY-UHFFFAOYSA-N 446.866 4.499 5 20 IIBD O=c1c(Cl)c(NCc2ccnc(OC3CCCC3)c2)cnn1-c1ccc([N+](=O)[O-])cc1 301201199 WRHFYZUHVCCYMW-UHFFFAOYSA-N 441.875 4.123 5 20 IIBD Cc1cccc(COc2ccc(NC(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)c(C)c2)c1 303251891 FWRFTNWJPDWLSB-UHFFFAOYSA-N 433.464 4.159 5 20 IIBD CCCc1[nH]nc(C(=O)N[C@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)c1[N+](=O)[O-] 303475780 NTNVSLJKEQBDAU-CQSZACIVSA-N 436.472 4.405 5 20 IIBD CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@H](c1ccc(Cl)cc1)c1cnccn1 427439735 UACKPPSUFRYQJS-JOCHJYFZSA-N 435.871 4.241 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C/C(C)=C/c1ccccc1 427545204 VLNTZOLLCQCTEX-DTQAZKPQSA-N 428.510 4.426 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCc1nc(-c2ccccc2F)cs1 428530761 DOCLGRSLKMFHSO-UHFFFAOYSA-N 438.440 4.101 5 20 IIBD COc1ccncc1CN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 431108531 OWHDYKVXZOOCNZ-FQEVSTJZSA-N 426.860 4.121 5 20 IIBD CC(C)(C(=O)NCCNc1ccccc1[N+](=O)[O-])c1csc(-c2ccccc2F)n1 432040500 GYEAHAUPEMXKFF-UHFFFAOYSA-N 428.489 4.363 5 20 IIBD Cc1oncc1C(=O)Nc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 433006652 QXVFRYYQFYQTRH-UHFFFAOYSA-N 445.229 4.158 5 20 IIBD CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@H](c1cccnc1)c1ccc(F)c(F)c1 433757317 GOMQCYDSYKHNCP-IBGZPJMESA-N 429.427 4.366 5 20 IIBD O=C(Nc1cc(F)c(F)cc1Br)C1CCN(c2ccccc2[N+](=O)[O-])CC1 435264243 VDCFTUPLPRFPLE-UHFFFAOYSA-N 440.244 4.491 5 20 IIBD CCN(Cc1ccccc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(C)=O 438810603 LELGTSHSWZBLAD-UHFFFAOYSA-N 446.312 4.071 5 20 IIBD Cc1c(C(=O)N(C)c2ccc(C(F)(F)F)cc2Cl)nnn1-c1cccc([N+](=O)[O-])c1 439123076 ZAIVMOWSSWRESQ-UHFFFAOYSA-N 439.781 4.433 5 20 IIBD CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 440466221 AGKRZQIJLTVRSC-HOTGVXAUSA-N 427.526 4.123 5 20 IIBD Cc1nc[nH]c1CNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 443469523 ZTEBHQCEGDOEIJ-YBEGLDIGSA-N 433.493 4.483 5 20 IIBD CCc1ccc([C@@H](NC(=O)c2ccccc2[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 443930237 VDNLAZPNYLFYOK-JOCHJYFZSA-N 438.505 4.080 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@@H](CN3CCCCC3)C2)c([N+](=O)[O-])c1 444218326 XSZKZDOLPCLGAC-GBXCKJPGSA-N 436.556 4.391 5 20 IIBD C[C@H](O)C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1ccccc1 444230595 YYYCQGTZEOPZJJ-GOEBONIOSA-N 436.458 4.244 5 20 IIBD C[C@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1nc(-c2ccccc2)no1 444299236 TZQOUIVKQQUMQN-CQSZACIVSA-N 442.450 4.404 5 20 IIBD C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444316800 NHPRIOYURZXTCN-ZHRRBRCNSA-N 429.495 4.071 5 20 IIBD CCOC(=O)[C@@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c2ccccc21 446245721 GHCYZJLNKWMTIY-QGZVFWFLSA-N 437.477 4.416 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N[C@H](c1ccccc1F)C1CCCC1 446888815 NQHIPGWMOXWTLF-FQEVSTJZSA-N 433.867 4.165 5 20 IIBD COc1ccc([C@H](CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)N2CCCCC2)cc1 447517167 RIQPZTUQXCBPHR-FKBYEOEOSA-N 427.549 4.100 5 20 IIBD COc1cc(OCC(=O)Nc2ccnc(Oc3ccc(F)cc3F)c2)ccc1[N+](=O)[O-] 448447629 KZDVBTVYLNDIKV-UHFFFAOYSA-N 431.351 4.086 5 20 IIBD Cc1cc(=NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)c2cc([N+](=O)[O-])ccc2[nH]1 462581247 QTKYQTKEAUXWOT-UHFFFAOYSA-N 425.872 4.214 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl 463970511 LLHSPJCVDNVWDS-GFCCVEGCSA-N 428.272 4.080 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O 464720980 UBRIJRQFZZHNIL-UHFFFAOYSA-N 440.506 4.296 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ncc(Cc2cccc(Cl)c2)s1 465022267 FGWMDTABRWOPOT-UHFFFAOYSA-N 445.884 4.248 5 20 IIBD C[C@@H](OCCCNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 465641878 XIGFWCWFKFYULL-GOSISDBHSA-N 427.501 4.316 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCN(c2ccccc2Cl)C1=O 465987384 SZFVVIOZXAFRGP-IBGZPJMESA-N 444.919 4.066 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)Nc1cccc(-c2cc[nH]n2)c1)c1ccccc1[N+](=O)[O-] 466902394 GWYNXDIRONLYCN-LJQANCHMSA-N 437.456 4.189 5 20 IIBD COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(I)c1 468113054 IENFHTNYAHTBNT-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3cc([C@H]4CCCOC4)[nH]n3)cc2[N+](=O)[O-])n1 473406827 JBBBTHURYWUXEX-ZDUSSCGKSA-N 445.526 4.380 5 20 IIBD O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCN(C(=O)c2cc3sccc3s2)CC1 473634738 YGPYKHUJSDXLJR-UHFFFAOYSA-N 435.914 4.123 5 20 IIBD COc1cccc(OC)c1OC1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 473641134 IPOQRENZOLQOLE-UHFFFAOYSA-N 428.485 4.419 5 20 IIBD CCOc1ccc(-c2nc(Cn3cc(Br)c(=O)c([N+](=O)[O-])c3)cs2)cc1 477423135 OPKKKMPKJUKSNX-UHFFFAOYSA-N 436.287 4.090 5 20 IIBD COC(=O)Cc1cccc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 478887358 RPUQNMGIJRLGNF-HNNXBMFYSA-N 434.452 4.131 5 20 IIBD CCOC(=O)c1csc([C@@H]2CCCN2C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 479703148 UPHDIABKPNIGMR-BBRMVZONSA-N 432.502 4.144 5 20 IIBD Cc1c(CNC(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)cccc1[N+](=O)[O-] 480058301 WXIDNFPKKSRKJN-UHFFFAOYSA-N 435.402 4.125 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(F)cc1Br 480734263 DKROEJSZSZUMPI-UHFFFAOYSA-N 443.294 4.165 5 20 IIBD CCOc1cc(N2CCN(Cc3coc(-c4c(F)cccc4F)n3)CC2)ccc1[N+](=O)[O-] 482890836 WCUNJEFEPDPVDI-UHFFFAOYSA-N 444.438 4.249 5 20 IIBD Cc1cccc(N(CC(=O)N2CCCCC2)C(=O)CSc2ccc([N+](=O)[O-])cc2)c1 485921809 RSKACDXWNYVOMQ-UHFFFAOYSA-N 427.526 4.041 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 488388791 QXDQRYSDBQVHNV-NSHDSACASA-N 447.296 4.118 5 20 IIBD C[C@H]1CCc2c(sc3nc([C@H](C)N4CCC(n5ccc([N+](=O)[O-])n5)CC4)nc(O)c23)C1 488771263 QNDINBXOQWRUNB-STQMWFEESA-N 442.545 4.025 5 20 IIBD CCOc1cc(C(=O)N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)c([N+](=O)[O-])cc1OC 490088402 KWMKUKBMPQJWRU-LLVKDONJSA-N 446.847 4.197 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3ncc(-c4ccccc4)[nH]3)cc2[N+](=O)[O-])C1 497527154 QOOLLJXHFZQYNL-CALCHBBNSA-N 433.512 4.397 5 20 IIBD Cn1cnc([N+](=O)[O-])c1N[C@H](C(=O)Nc1ccc(Br)cc1F)c1ccccc1 498916676 LBJLLWOHVUGFAM-HNNXBMFYSA-N 448.252 4.022 5 20 IIBD CC(C)CN(CCc1ccccc1)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 500078157 SZLRAJVTERHHNO-UHFFFAOYSA-N 439.541 4.215 5 20 IIBD O=C(c1cccc(F)c1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 500722156 RDCLRDNJERWOAO-UHFFFAOYSA-N 425.485 4.420 5 20 IIBD CCOc1ccc(C(=O)N[C@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C(C)C)cc1 503952718 ZAWVYUZOOQVXRY-QFIPXVFZSA-N 441.528 4.185 5 20 IIBD O=C(NCc1cc(Br)ccc1F)c1ccc([N+](=O)[O-])cc1Br 506131264 NIVOFNVVZZQALM-UHFFFAOYSA-N 432.043 4.189 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 507277198 FREJIUYIIJRJMS-INIZCTEOSA-N 428.558 4.447 5 20 IIBD Cc1ccc(SCc2nnc(N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)n2C)cc1 507936171 AXWCWNGSEXNEIL-UHFFFAOYSA-N 439.541 4.372 5 20 IIBD CC(C)(C(=O)N1CCN(C(=O)c2cc3ccccc3s2)CC1)c1ccccc1[N+](=O)[O-] 509310709 PVZYGCCOPMOWLW-UHFFFAOYSA-N 437.521 4.072 5 20 IIBD CCN([C@@H](c1ccc(Cl)cc1)c1ccccn1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 510242817 LOYRPPQKALBVRR-FQEVSTJZSA-N 431.901 4.443 5 20 IIBD COc1cc(CN2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c([N+](=O)[O-])cc1OC(F)F 512280280 VURCPVQAROTKKZ-QHCPKHFHSA-N 447.482 4.303 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@@H](c4nnc5n4CCC5)C3)o2)c(Cl)c1 513667560 RZHVVFXRKAEMCG-CQSZACIVSA-N 427.892 4.426 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCCOc3ccc(C(C)C)cc3)cc2)c(C)c1[N+](=O)[O-] 514516322 YIOUAHGFVGBGDM-UHFFFAOYSA-N 436.512 4.389 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N(C)CCCOc3ccc(F)cc3)cc2)c(C)c1[N+](=O)[O-] 520647856 XWVSWQCLXDLTIF-UHFFFAOYSA-N 440.475 4.137 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(SCc2cn3ccccc3n2)cc1 521001539 BSHUAVQXQAAPSX-UHFFFAOYSA-N 448.504 4.344 5 20 IIBD C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccncc2)cs1 521134738 HEDVOHPOMXQNHB-NWDGAFQWSA-N 432.889 4.411 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCC(N3CCCCC3)CC2)cc1[N+](=O)[O-])c1ccccn1 521801984 BUIFSYOTDVFDSC-SFHVURJKSA-N 437.544 4.253 5 20 IIBD Cc1ccc([C@H]2CSCCN2C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 522541202 YDCNSAZYDYBTRZ-JOCHJYFZSA-N 425.554 4.436 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@@H](c3ccccc3)[C@H]3CCCO3)cc2)c(C)c1[N+](=O)[O-] 522570551 XJXNHGNALMNYDE-YADHBBJMSA-N 434.496 4.107 5 20 IIBD O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)c1cc([N+](=O)[O-])cc2c1OCCO2 522643528 CVXRJDJLXCLKHV-HKBQPEDESA-N 444.509 4.200 5 20 IIBD Cc1cccc(N(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c1 524285426 VRKKMBOVNWCIOO-UHFFFAOYSA-N 439.493 4.289 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCC(c2ccccc2C(F)(F)F)CC1 531889137 HDQXDGBTBWNYCL-UHFFFAOYSA-N 436.386 4.405 5 20 IIBD COC(=O)c1cc(C(=O)N(C)[C@@H](c2ccc(Cl)cc2)C(F)(F)F)cc([N+](=O)[O-])c1 532087229 QXZGXOIPYQPKJS-HNNXBMFYSA-N 430.766 4.410 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 535674157 FHWACFNLOMUMMJ-YJYMSZOUSA-N 436.871 4.210 5 20 IIBD O=C(Nc1cccc(CNC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)c1)c1ccccc1 535876383 MXCHSMNWFMDYKX-UHFFFAOYSA-N 442.431 4.031 5 20 IIBD CCOc1ccc(F)c(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)c1F 536570313 VCDPAIVBRVLAPH-UHFFFAOYSA-N 448.163 4.129 5 20 IIBD O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c1 539421119 ANEUKFHMPNKSJB-GOEBONIOSA-N 438.324 4.247 5 20 IIBD COc1cc(C(=O)N[C@](C)(C(=O)O)C2CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 539604600 YWSRQZVHKNQZRY-FQEVSTJZSA-N 434.832 4.032 5 20 IIBD CCn1c(SCCCS(=O)(=O)c2ccc(C)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 540349467 RRHPSDNLUQLFRE-UHFFFAOYSA-N 446.554 4.138 5 20 IIBD COc1cc(F)c([C@@H](C)N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC 540392875 CILZPPZXRHWHOD-MNOVXSKESA-N 425.844 4.082 5 20 IIBD CCOc1cccc([C@H]2C[C@@H]2NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 540504637 YNJUIXAINJQVNJ-YADHBBJMSA-N 425.485 4.102 5 20 IIBD COc1ccc(NC(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@H]3C)cc2)cc1[N+](=O)[O-] 541067976 FNNISBNFGVAPLV-HZPDHXFCSA-N 441.484 4.024 5 20 IIBD O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H](c1ccccc1)c1cc(Cl)ccc1Cl 543196151 JVZININRMARWOC-GOSISDBHSA-N 434.283 4.187 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN3CCc4c(Br)ccc(F)c4C3)o2)cc1 543559550 QOXADTZIBWCEMW-UHFFFAOYSA-N 433.237 4.105 5 20 IIBD CCOc1c(Br)cc(-c2nc(Cc3ccccc3[N+](=O)[O-])no2)cc1OC 545534585 ZDFBPJHNDWSOQZ-UHFFFAOYSA-N 434.246 4.405 5 20 IIBD NC(=O)c1ccc(SCc2nc(CCCc3ccccc3Cl)no2)c([N+](=O)[O-])c1 547132823 UJOSCIZHEOGNDW-UHFFFAOYSA-N 432.889 4.198 5 20 IIBD COc1cc(C(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)cc([N+](=O)[O-])c1OC 547948129 FUEZTAGNBKCUDZ-UHFFFAOYSA-N 427.438 4.190 5 20 IIBD C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 548947527 GFILINJCDXYDKR-HDICACEKSA-N 438.528 4.419 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 558885796 XXSLXIGARJRNPW-FYYLOGMGSA-N 446.555 4.364 5 20 IIBD COC(=O)c1cc(C(=O)N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)cc([N+](=O)[O-])c1 565146373 UWMHWEAXCGOZMV-AWEZNQCLSA-N 436.386 4.420 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(Cc3c[nH]c4ccc(Cl)cc34)no2)c1N1CCOCC1 567024664 WUUYAUSHJMCJMA-UHFFFAOYSA-N 439.859 4.207 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F 573725910 DTRDPTUPRAILDV-MRVPVSSYSA-N 438.328 4.480 5 20 IIBD COc1ccc2cc(-c3noc(-c4ccc(N5C(=O)CCC5=O)c([N+](=O)[O-])c4)n3)ccc2c1 582479642 QTBZDGDKAZPUJU-UHFFFAOYSA-N 444.403 4.127 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1Sc1nnc([C@H](C)N2CCCCC2)n1-c1ccccc1 588810784 CWEXWTSDQUARKT-HNNXBMFYSA-N 441.561 4.398 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nnc(-c2ccccc2Br)o1 594639439 RMGIWZPWTZTPNG-UHFFFAOYSA-N 449.286 4.447 5 20 IIBD Cc1cccc(COc2ccc([C@H](C)Nc3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)cc2)c1 600848912 YTKXMKRIFHWRDE-INIZCTEOSA-N 441.509 4.303 5 20 IIBD COc1cc(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)ccc1OC1CCCC1 603761878 XANWNHGSOHKHGJ-UHFFFAOYSA-N 436.468 4.041 5 20 IIBD CC(C)n1cc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cn1 608944442 ISCOZHHGQLJCOS-UHFFFAOYSA-N 430.468 4.406 5 20 IIBD Cc1ccc(NC(=O)c2ccc(Sc3nc4nc(C)cc(C)n4n3)c([N+](=O)[O-])c2)cc1 608972410 HYZVVVXWOOKGTL-UHFFFAOYSA-N 434.481 4.361 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N[C@@H](C)C(=O)NCc3ccccc3)c([N+](=O)[O-])c2)cc1 608974555 JQWAOIMHIXZMOI-KRWDZBQOSA-N 432.480 4.272 5 20 IIBD Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])o1 609978241 FJVZIPJJSYYMNE-GOSISDBHSA-N 442.859 4.035 5 20 IIBD CCOCCCN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)[C@@H](C)C1 611206226 ZPOKTRATEISASQ-LAUBAEHRSA-N 449.617 4.496 5 20 IIBD COc1ccc(CN(C)[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cn1 611209129 GXDMKGGNMPPMKL-NRFANRHFSA-N 440.887 4.464 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N[C@H](CO)CC1CC1 611295852 ZXVKXJGWPWPOOD-RLGUWMIQSA-N 437.521 4.412 5 20 IIBD C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(C(=O)Nc2cccc(F)c2)CC1 725801820 GCBCSMXPONJMJO-ZDUSSCGKSA-N 448.882 4.065 5 20 IIBD O=C(COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])Nc1ccc(Br)cc1Cl 725935311 NNGDIYHUVWJRFV-UHFFFAOYSA-N 449.591 4.084 5 20 IIBD Cc1nc([N+](=O)[O-])c(Br)n1CC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 726430857 BBIKSALWGAFIAM-CQSZACIVSA-N 441.301 4.295 5 20 IIBD COc1cc(CNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)ccc1OC(C)C 726593962 XPQKQCVQAMVCAV-UHFFFAOYSA-N 444.875 4.202 5 20 IIBD O=C(OCCCOc1ccc([N+](=O)[O-])cc1)c1csc(-c2ccc3c(c2)OCO3)n1 726690026 SBENQNGITHFRCU-UHFFFAOYSA-N 428.422 4.073 5 20 IIBD O=C(c1cc2c(F)cccc2[nH]1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727398830 LFJSQIXROIHHCZ-UHFFFAOYSA-N 436.365 4.196 5 20 IIBD O=C(NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 727950723 UDHZFKKOZWLGQL-GHMZBOCLSA-N 449.699 4.164 5 20 IIBD COc1ccc([N+](=O)[O-])cc1OC(=O)c1ccc(I)cc1Cl 727984437 PZKLHBDEQZTCIG-UHFFFAOYSA-N 433.585 4.081 5 20 IIBD O=C(CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)NCCNC(=O)c1cccnc1 733890294 REAJVNJTFUMIPC-UHFFFAOYSA-N 449.510 4.488 5 20 IIBD C[C@@](O)(CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccc(F)cc1F 734020355 NCZOPQCRRBIRLW-HSZRJFAPSA-N 441.434 4.123 5 20 IIBD C[C@@H](Nc1cccc2c1CCN(C(=O)OC(C)(C)C)C2)C(=O)Nc1ccc([N+](=O)[O-])cc1 734158014 GMAKKATZWPRLLG-OAHLLOKOSA-N 440.500 4.327 5 20 IIBD C[S@](=O)CCNC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 735052125 INKKPXKIXCSBOG-KKVVDXQQSA-N 449.532 4.128 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(CSc2nnc(N3CCCCC3)n2C[C@@H]2CCCO2)c1 735413110 DGGHFPUXTYCRRW-INIZCTEOSA-N 437.953 4.301 5 20 IIBD COc1cc(CCc2cc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])n[nH]2)cc(OC)c1 736168093 GCPOREPUIUAWHN-UHFFFAOYSA-N 430.848 4.026 5 20 IIBD CC[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1I)C(=O)c1ccccc1 738642195 RKPGFZNGDSGIIZ-HNNXBMFYSA-N 439.205 4.018 5 20 IIBD CC(C)(C)c1ccccc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Br 740421185 DGWFZTZFTMUTCJ-UHFFFAOYSA-N 435.274 4.450 5 20 IIBD C[C@H](Oc1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cc1)C(N)=O 741634311 ZMBWHVATRVFCEK-AWEZNQCLSA-N 438.461 4.218 5 20 IIBD C[C@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Br)cc1 745074389 RITNTFBADGLBLZ-LBPRGKRZSA-N 435.274 4.205 5 20 IIBD O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCCN1Cc1ccc(F)cc1 747822651 MAEBPAUKSPTSSV-HXUWFJFHSA-N 425.416 4.097 5 20 IIBD C[C@H](OC(=O)c1ccn(-c2ccccc2Cl)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 747944341 LQIKVHAXDCPIGE-NSHDSACASA-N 449.250 4.271 5 20 IIBD COc1ccc(COC(=O)CC2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 748237577 WZZPAZDDGILAPU-ALOPSCKCSA-N 434.489 4.215 5 20 IIBD CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 750094198 YOHLATVPNRAGQW-XZOQPEGZSA-N 426.513 4.077 5 20 IIBD O=C(O[C@@H]1CCN(c2cccc(Cl)c2)C1=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 750341367 URRSAFJQPIVGCT-QGZVFWFLSA-N 443.868 4.334 5 20 IIBD NC(=O)c1ccc(CNC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)cn1 753654354 ZONQYERPMKTVLB-UHFFFAOYSA-N 435.483 4.357 5 20 IIBD CCCC(=O)Nc1cccc(CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c1 755023235 COIZPBOGZLLOTF-UHFFFAOYSA-N 435.278 4.418 5 20 IIBD C[C@@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1cccc(N2CCOC2=O)c1 755026998 DETSMBOELNPJIS-LLVKDONJSA-N 449.261 4.197 5 20 IIBD CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 756964069 OLRPSUHDDCZJQN-UHFFFAOYSA-N 427.892 4.413 5 20 IIBD COc1ccccc1COc1cccc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c1C 759844046 QYWSCTNKCIMPGN-UHFFFAOYSA-N 446.463 4.479 5 20 IIBD C[C@@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1CNC(=O)OC(C)(C)C 760844383 ULZKCZQOVVQTHC-DNVCBOLYSA-N 430.505 4.375 5 20 IIBD O=C1OCCN1c1ccc(-c2noc(-c3csc(-c4cccc([N+](=O)[O-])c4)n3)n2)cc1 761743846 AVLVFFKKHHDUCZ-UHFFFAOYSA-N 435.421 4.392 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)N1CCC[C@H](C2OCCO2)C1 764093105 ZJKSYVAKIPWQQT-INIZCTEOSA-N 445.903 4.085 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCSCC2)cc1 764264003 AAGSPKPJNUOIFD-UHFFFAOYSA-N 433.555 4.139 5 20 IIBD COc1cccc(C(=O)O[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 769604730 WTWVYXAHFWKBBC-MRXNPFEDSA-N 434.448 4.055 5 20 IIBD COc1cc(/C=C(/C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c2ccccc2)ccc1O 771922878 QHBLKLZMGQVWSG-RCCKNPSSSA-N 433.464 4.078 5 20 IIBD O=C(COC(=O)c1coc(-c2ccc(Br)cc2F)n1)c1cccc([N+](=O)[O-])c1 778894644 HKMQOZQPGKOESI-UHFFFAOYSA-N 449.188 4.191 5 20 IIBD COc1ccc(C[C@@H](C)C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC 781313705 CXUAUQMSLMJVEC-CQSZACIVSA-N 426.425 4.189 5 20 IIBD CC(C)COC(=O)N1CCC(COC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 781465682 VZBTZYMZKGCTLQ-UHFFFAOYSA-N 436.508 4.343 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccccc1OC[C@H]1CCCCO1 781609242 JLGHFAQFWXIBPF-QGZVFWFLSA-N 429.429 4.022 5 20 IIBD COc1ccc(-c2noc([C@H](C)OC(=O)c3cc(Br)cc([N+](=O)[O-])c3)n2)cc1 784261779 MQFWKMUSBWGNFL-JTQLQIEISA-N 448.229 4.334 5 20 IIBD Cc1ccc(-c2nnc([C@H](C)OC(=O)COc3ccc([N+](=O)[O-])c4cccnc34)o2)cc1 786785657 NQVQTQXJGZTFTG-AWEZNQCLSA-N 434.408 4.185 5 20 IIBD CC(C)(C)OC(=O)NCc1cccc(C(=O)O[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 786958976 OZSKTQGQIGORIZ-QZTJIDSGSA-N 444.488 4.157 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CCC(COc3ccc(Cl)nc3)CC2)c1Br 788561355 WXRZVYNQXFODLJ-UHFFFAOYSA-N 441.713 4.405 5 20 IIBD CCCOc1cc(OC)ccc1C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 789207658 BDZLVWZQCQQKOT-LBPRGKRZSA-N 436.848 4.230 5 20 IIBD CCc1cnccc1[C@H](C)NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 790801152 QDFBGVDCSLUBNV-LBPRGKRZSA-N 433.306 4.144 5 20 IIBD O=C(Nc1nc([C@@H]2C[C@H]3CC[C@H]2C3)cs1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 791369505 MYIRQTJFUUFXHL-OFQRWUPVSA-N 428.514 4.044 5 20 IIBD CC(C)c1ccc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2nccn2C)cc1[N+](=O)[O-] 793613181 JYDUGIDPHUAUPO-HXUWFJFHSA-N 443.548 4.246 5 20 IIBD O=C(Nc1ccccc1C(=O)OC[C@H]1CCC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1Cl 795286351 JBAREDDUFHOOAB-DZGCQCFKSA-N 432.860 4.208 5 20 IIBD O=C(C[C@H]1CCCOC1)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 795918801 ZZXONPJMAOZILY-VLIAUNLRSA-N 432.860 4.288 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@H]1CC(C)(C)Oc2ccc(Br)cc21 798558338 ARFSVIVPEGRBMB-HNNXBMFYSA-N 438.278 4.098 5 20 IIBD C[C@@H](OC(=O)C(C)(C)COCc1ccccc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 800290803 SVJNNYZTYDZITK-OAHLLOKOSA-N 425.441 4.492 5 20 IIBD CCO[C@@H](C)c1ncc(C(=O)Nc2ccc([N+](=O)[O-])c(I)c2)s1 801699591 LUNCTZSPKAGLLL-QMMMGPOBSA-N 447.254 4.006 5 20 IIBD COc1cc(CNc2ccc(C3(O)COC3)cc2)c([N+](=O)[O-])cc1OCc1ccccc1 808432773 AMXFOIQBUWQRBB-UHFFFAOYSA-N 436.464 4.012 5 20 IIBD O=[N+]([O-])c1cc(F)c(S(=O)(=O)N(Cc2ccc(O)cc2)Cc2ccco2)cc1Cl 809819387 SDVHFRKBPAXZLV-UHFFFAOYSA-N 440.836 4.077 5 20 IIBD COc1cc(Cn2ccc3cc(Br)cc(F)c3c2=O)c([N+](=O)[O-])cc1F 810012680 WDFWKKUUVYJGNH-UHFFFAOYSA-N 425.185 4.007 5 20 IIBD CN([C@]1(c2ccccc2)CCCCC1=O)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F 810078247 JYLPUNNJNLYYSE-IBGZPJMESA-N 440.880 4.046 5 20 IIBD O=C(CNC(=O)c1c(F)cccc1Cl)OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811119079 ZEQZRHDGFKQYDF-UHFFFAOYSA-N 435.622 4.167 5 20 IIBD Cc1nc2ccnn2c(C)c1CCC(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811215157 OGSHNVWOPRBAOF-UHFFFAOYSA-N 437.481 4.054 5 20 IIBD CN1CCN(CCOc2ccc(NCc3cc(Cl)cc(Cl)c3[N+](=O)[O-])cc2)CC1 811469812 OMOUYXDXTDXPIP-UHFFFAOYSA-N 439.343 4.140 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)OCCc2nccnc2C)cc1[N+](=O)[O-] 816238484 GNQKBHAZGNUPRJ-UHFFFAOYSA-N 437.477 4.046 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1C)NC(=O)OC(C)(C)C 916667240 IVLIRCDVTLQLGR-GOSISDBHSA-N 444.488 4.299 5 20 IIBD CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2csc([N+](=O)[O-])c2)NC(=S)N1 917878691 ABQMHFUWYGFDNX-AWEZNQCLSA-N 442.444 4.107 5 20 IIBD C[C@@H](OC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1cccc([N+](=O)[O-])c1 920157375 JDTNFHOPNNVQSS-CQSZACIVSA-N 444.440 4.453 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1oc2c(C)ccc(C)c2c1C 920651390 CMWAMMWNEXWHKK-CQSZACIVSA-N 426.425 4.459 5 20 IIBD Cc1ccc(N2C(=O)/C(=C/c3cc([N+](=O)[O-])ccc3OC(F)F)NC2=S)cc1Cl 920836426 HTILDBLXUBFSEG-AUWJEWJLSA-N 439.827 4.420 5 20 IIBD COc1cc(CNc2cnn(Cc3cccnc3)c2)c([N+](=O)[O-])cc1OCc1ccccc1 1251727574 VBBOQZOCCLQQKA-UHFFFAOYSA-N 445.479 4.434 5 20 IIBD CCOc1cc(NC(=O)CCc2nc(-c3ccccc3)no2)c([N+](=O)[O-])cc1OCC 1317716963 DVHBERPIYJVQIR-UHFFFAOYSA-N 426.429 4.014 5 20 IIBD Cc1cc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2N)n([C@@H]2C[C@H]3CC[C@H]2C3)n1 1321298127 CKXIQELGQJQNQS-COPLHBTASA-N 434.294 4.058 5 20 IIBD CCC[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1 1800343595 XQVLBZNNFXVPBA-FWIIZBITSA-N 443.544 4.159 5 20 IIBD Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc([N+](=O)[O-])cc2F)cc1Cl 1800349250 ZHYAOKMPJXGSFG-MUJYYYPQSA-N 445.878 4.261 5 20 IIBD Cc1ccc(C(=O)N2CCCC3(CCN(C(=O)Cc4cccc([N+](=O)[O-])c4)CC3)C2)s1 1808089099 VNVJJIZSDANNAB-UHFFFAOYSA-N 441.553 4.052 5 20 IIBD CC(C)c1ccc(C(=O)N2CC3(CCCN3C(=O)CCc3cccc([N+](=O)[O-])c3)C2)cc1 1841808177 OYDRWVQMXKTTAT-UHFFFAOYSA-N 435.524 4.168 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(Oc2ncnc3sc(C)c(C)c23)c([N+](=O)[O-])c1 15131624 MXFYXTNTDNYWBY-UHFFFAOYSA-N 436.515 4.039 5 20 IIBD CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 15389815 MIYKRTUGUNSAOG-MRXNPFEDSA-N 442.324 4.392 5 20 IIBD O=C(Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1cccc([N+](=O)[O-])c1 15436991 QHBKYIVZAZURCP-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD Cc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 15683327 QKZLQPNIRSJKIR-CQSZACIVSA-N 431.876 4.341 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1ccc(Br)cc1 16014816 WPNQHHBPBCHXRX-UHFFFAOYSA-N 445.273 4.458 5 20 IIBD COc1cc(CCNC(=O)c2ccccc2COc2ccccc2)c([N+](=O)[O-])cc1OC 16143682 RHEOBUFLYSREAG-UHFFFAOYSA-N 436.464 4.164 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)OCC(=O)c2cccc(C(F)(F)F)c2)cc1OC 18969051 NDTILIKTFWQOEW-UHFFFAOYSA-N 427.331 4.061 5 20 IIBD Cc1cccc(Nc2nnc(SCC(=O)N3CCc4ccc([N+](=O)[O-])cc43)s2)c1C 23205856 YINKSZROKXNZJC-UHFFFAOYSA-N 441.538 4.488 5 20 IIBD Cc1ccccc1CNC(=O)COc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1 24035057 VSNAKQOLEAMPPX-UHFFFAOYSA-N 444.443 4.372 5 20 IIBD O=C(COC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N[C@@H]1CCOc2ccccc21 27829252 ZGQYUFUNGZBURX-LJQANCHMSA-N 447.447 4.135 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCO[C@H](c4ccc(F)cc4)C3)cc2[N+](=O)[O-])CC1 29112597 VMMUFWGGVBMSQS-QFIPXVFZSA-N 427.476 4.184 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](NCCOCC(F)(F)F)c1ccccc1 30006462 FVXWQQWAUBKABN-INIZCTEOSA-N 431.798 4.097 5 20 IIBD CCCCc1ccc(-n2nnnc2SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 31841265 RUEUIWFCFLTPLV-UHFFFAOYSA-N 437.485 4.255 5 20 IIBD Cc1ccc(-c2csc(NC(=O)CCc3nc(-c4ccccn4)no3)n2)cc1[N+](=O)[O-] 97262908 NAWKXKSFWIVOJO-UHFFFAOYSA-N 436.453 4.043 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2cc(Br)cs2)cc1OC 107712504 SSLGADIPZHUNOZ-UHFFFAOYSA-N 429.292 4.098 5 20 IIBD O=C(NCc1ccc(Oc2cccnc2)c(F)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 108998067 JKQMRLNTUKJRMR-UHFFFAOYSA-N 433.399 4.037 5 20 IIBD COc1cc(C(=O)NCc2cc(Br)ccc2F)c([N+](=O)[O-])cc1OC(F)F 116830483 GVXVGCVZNJQVBU-UHFFFAOYSA-N 449.179 4.036 5 20 IIBD COc1ccc2[nH]cc(C3=CCN(C(=O)c4cnn(-c5ccc([N+](=O)[O-])cc5)c4)CC3)c2c1 117624990 AGGUXLXRZMMRDL-UHFFFAOYSA-N 443.463 4.200 5 20 IIBD CC(C)c1[nH]nc(C(=O)N(C)CCCCCc2cc(-c3cccc(F)c3)n[nH]2)c1[N+](=O)[O-] 433996549 FRRRETHZKLIAEG-UHFFFAOYSA-N 442.495 4.456 5 20 IIBD CN(C)S(=O)(=O)c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1C(F)(F)F 434645583 LONJPQJDWHWYBS-UHFFFAOYSA-N 438.811 4.096 5 20 IIBD CC(=O)Nc1cc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)ccc1F 435940531 JGMVHVDMDNZCMI-UHFFFAOYSA-N 425.366 4.309 5 20 IIBD C[C@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1ccc2c(c1)CCC(=O)N2 436070942 CBIDGRSSUKBQIL-ZDUSSCGKSA-N 429.451 4.196 5 20 IIBD C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 437889081 MLWMGLNNIIVGDG-AWEZNQCLSA-N 438.402 4.451 5 20 IIBD O=[N+]([O-])c1ccc2nc(NC[C@@H](c3ccccc3)c3c[nH]c4ccccc34)nc(O)c2c1 439129636 RJMHPGKFMFTGOF-IBGZPJMESA-N 425.448 4.969 5 20 IIBD CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 440672039 ONSNINNQGUQCIJ-UHFFFAOYSA-N 449.467 5.022 5 20 IIBD Cc1ccc(NC(=O)C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)cc1[N+](=O)[O-] 442239734 FAEBXLWLWCZMEI-UHFFFAOYSA-N 435.402 4.099 5 20 IIBD Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)n(Cc2ccccc2)n1 446008005 WGVPMZYEJAMEHU-UHFFFAOYSA-N 429.274 4.092 5 20 IIBD CCCN(Cc1ccc(F)cc1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 461573569 HKVKKHRAKOJSEA-SFHVURJKSA-N 439.491 4.446 5 20 IIBD C[C@H](c1ccccc1F)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 461646236 KQDDZIBZSCWKQE-CVEARBPZSA-N 425.464 4.226 5 20 IIBD CNc1c(C(=O)Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)cccc1[N+](=O)[O-] 462933470 SQCMAOTXMXRXGP-UHFFFAOYSA-N 430.464 4.021 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(N2CC[C@@H](CSc3ccccc3)C2)c([N+](=O)[O-])c1 462946475 VIDCKVNUDCMKRM-QGZVFWFLSA-N 449.598 4.244 5 20 IIBD CN(CCc1cccc(Br)c1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 463422887 DQNCRJNVHRBQMJ-UHFFFAOYSA-N 426.698 4.124 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)Cc1csc(NC(=O)c2ccccc2F)n1 464721445 XIEZQOVPRZNDMG-UHFFFAOYSA-N 428.445 4.186 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2C(=O)N2CCC3(CCC3)C2)c1 468239662 HVJRQEIFFKJYBD-UHFFFAOYSA-N 443.525 4.029 5 20 IIBD CC(C)Oc1ccc(-c2cccc([C@@H](C)N(C)C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)c2)cc1 470158709 MSHAQHOQQUFYPF-WZONZLPQSA-N 438.528 4.299 5 20 IIBD CC(C)N(CCCNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)C(C)C 470228696 RQOCHADFFBXJLF-UHFFFAOYSA-N 442.347 4.326 5 20 IIBD Cc1cc(Sc2ncccn2)ccc1NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 470339142 YKURWRSCXJSYSH-UHFFFAOYSA-N 437.481 4.140 5 20 IIBD O=C(NCC1(c2cccc(Cl)c2F)CCCC1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 472715299 NTJSFXIOXGETKU-UHFFFAOYSA-N 437.830 4.093 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)N2CCSC[C@H]2c2cccc(C(F)(F)F)c2)c1 472718676 WWZHLKVMCOKKAL-INIZCTEOSA-N 432.445 4.092 5 20 IIBD COc1c(C(=O)N[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cccc1[N+](=O)[O-] 474906961 RFAPRHPACZKLHA-LJQANCHMSA-N 434.427 4.264 5 20 IIBD O=C1CCc2cc(NC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)c(F)cc2N1 477078272 VDOPCLAJUNSLOB-UHFFFAOYSA-N 437.377 4.236 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F 478467348 YLHDKDFROCDSBN-HNNXBMFYSA-N 434.823 4.209 5 20 IIBD CC(C)Oc1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1C(N)=O 478499892 LVPKCXXIFBMCMV-UHFFFAOYSA-N 449.463 4.312 5 20 IIBD O=C(Nc1ccccc1)[C@H]1CCc2ccccc2N1C(=O)Cc1ccc([N+](=O)[O-])cc1F 479103716 KQFJIJIXDODDBO-JOCHJYFZSA-N 433.439 4.263 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCc1ccc(Cl)cc1[N+](=O)[O-] 479390115 PHGGXFGMDXXFNU-UHFFFAOYSA-N 435.867 4.075 5 20 IIBD CO[C@@]1(C)CCCN(c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])CC1 480827238 LVJSSLUMBFYRKB-QFIPXVFZSA-N 447.557 4.408 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H](N[C@H]1CCSC1)c1ccccc1 481609912 PDXHUJLDJFILRD-SUMWQHHRSA-N 436.331 4.132 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@H](c1ccccc1)c1ccc(F)cc1 481684018 LKJMQZVKGYNKCW-HSZRJFAPSA-N 449.438 4.328 5 20 IIBD CSc1ccc(C(=O)N2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)cc1[N+](=O)[O-] 481872684 USSHXUKUKWKHFI-WOJBJXKFSA-N 425.554 4.443 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCC(OCCc3ccccc3)CC2)cc1SC 483640778 HTMWAXJICYMMJV-UHFFFAOYSA-N 430.526 4.189 5 20 IIBD O=C(NCc1cccc(N2CCCC2=O)c1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 486365058 IMBTVECOIGBKFA-UHFFFAOYSA-N 445.475 4.231 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](COc1ccccc1F)C(C)(C)C 489040679 WBVGVSBAEXVCRV-XOBRGWDASA-N 433.480 4.153 5 20 IIBD O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 489156298 LBGNQVMURLGMCD-OAQYLSRUSA-N 433.855 4.348 5 20 IIBD Cc1ccc(-n2cnc3c2CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C3)cc1 489437982 ZYDOKNZYBMMKQF-UHFFFAOYSA-N 430.386 4.306 5 20 IIBD CCCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H](C)C(=O)Nc1ccccc1C 489999180 PJRLWRNGHSEAOA-SFHVURJKSA-N 438.528 4.383 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 490435128 IFMMDNAQRSEPJZ-SJCJKPOMSA-N 444.431 4.073 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC(CCCN(C)C)CC3)cc2[N+](=O)[O-])C1 501644472 LWFCZBJRSIBLOQ-OALUTQOASA-N 430.593 4.271 5 20 IIBD COc1cc(CN2CCOC[C@@H]2c2c(C)nn(-c3ccccc3F)c2C)ccc1[N+](=O)[O-] 502349571 XDQDFWSNBYXDMR-OAQYLSRUSA-N 440.475 4.119 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O 502794255 RWCLMALTIVNJRJ-UHFFFAOYSA-N 446.385 4.337 5 20 IIBD COc1cc(Br)c(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1OC 509358487 OZFPTOAEOKRLKX-SNVBAGLBSA-N 441.303 4.494 5 20 IIBD Cc1c(NC(=O)[C@H](C)NCC2(c3cccc(Cl)c3)CCOCC2)cccc1[N+](=O)[O-] 513189175 VJAYROYHWRGXGW-INIZCTEOSA-N 431.920 4.222 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3C[C@H]4CCCN4c4ccccc43)cc2)c(C)c1[N+](=O)[O-] 515283614 FHJYBZWTYTUNLY-HXUWFJFHSA-N 431.496 4.086 5 20 IIBD CC1CCC(NS(=O)(=O)c2ccc(N3CCC[C@H]3c3ccccn3)c([N+](=O)[O-])c2)CC1 516238048 HWECFPLRLCXNHX-UHYCVJNDSA-N 444.557 4.188 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 516343952 HUXKNOPQHQMDEO-LBPRGKRZSA-N 447.296 4.260 5 20 IIBD Cc1csc(NC(=O)Nc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)n1 520493352 BJRNYZRGNPROLQ-UHFFFAOYSA-N 447.498 4.113 5 20 IIBD Cc1nc2ccccc2n1CCc1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 521312787 HCOHTSRNIMPMOB-UHFFFAOYSA-N 442.273 4.232 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2nc(-c3ccccc3)cs2)ccc1[N+](=O)[O-] 522483626 XVJSSOZELDYNBX-IBGZPJMESA-N 436.493 4.270 5 20 IIBD Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 524143700 ODXPFUBGNZGNHP-UHFFFAOYSA-N 438.709 4.282 5 20 IIBD COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)Cc3ccc(OC)c([N+](=O)[O-])c3)s2)cc1 524322031 VOBYLJBIKJQKRX-CYBMUJFWSA-N 441.509 4.464 5 20 IIBD CCO[C@H]1C[C@H](NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C12CCC2 525521595 KIVGGODJHZXVFH-HOTGVXAUSA-N 439.299 4.165 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H](COc2ccccc2Cl)C1 532827434 ALKAYNSNYZVORR-INIZCTEOSA-N 447.919 4.376 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2ccccc2C)C1 534960304 BCPHNSGGIHHVDZ-MRXNPFEDSA-N 428.510 4.188 5 20 IIBD COc1ccc([C@@H](C)NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1Br 539269989 FVWFCSRGYZDCOU-LLVKDONJSA-N 433.262 4.267 5 20 IIBD CCc1ccc([C@H](CO)NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 539989018 CUGUSLLUGNSVMU-ZHRRBRCNSA-N 434.496 4.189 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1 540457839 GBIGLRVHGIGVJF-UHFFFAOYSA-N 443.525 4.256 5 20 IIBD O=C(NC1CCC(c2ccc(F)cc2)CC1)c1cccc([N+](=O)[O-])c1N1CCOCC1 541933147 LPMAWEVFGGINQJ-UHFFFAOYSA-N 427.476 4.027 5 20 IIBD C[C@@H](C(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc([N+](=O)[O-])cc1F 542514584 JRKBXVDYXCLUSA-LLVKDONJSA-N 429.429 4.371 5 20 IIBD COc1ccc(NC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)cc1[N+](=O)[O-] 542925199 SUUYOJZDRMITPG-UHFFFAOYSA-N 439.428 4.304 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCc1ccc(-c2csc(C)n2)cc1 543190918 YHSBUFKLPLJATP-UHFFFAOYSA-N 426.498 4.077 5 20 IIBD CCc1ccc([C@H](Nc2ccc(CC(=O)N3CCOCC3)cc2)c2ccc([N+](=O)[O-])cc2)o1 543423821 BWAULBKXPKKOKG-RUZDIDTESA-N 449.507 4.353 5 20 IIBD CCc1ccc([C@H](NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)o1 543425338 SMSREAPPSQQTHX-WRALFONMSA-N 435.524 4.065 5 20 IIBD Cc1cc(NC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)ccc1[N+](=O)[O-] 545329286 OHECSAHMJIDAFY-UHFFFAOYSA-N 443.813 4.325 5 20 IIBD CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C[C@H]1N1CCCC1 545877720 TZGUUVAHWPTZQJ-TZIWHRDSSA-N 427.526 4.039 5 20 IIBD CCN([C@@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] 546768505 DJUNCTASWBCAIK-QFIPXVFZSA-N 425.510 4.240 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN(Cc3ccc(-n4cncn4)cc3)C3CC3)o2)c1 549076374 JAWIWEPGCAPFFF-UHFFFAOYSA-N 430.468 4.038 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c2ccccc21 549817339 KVPYQUOXKLEUAB-OAHLLOKOSA-N 437.477 4.160 5 20 IIBD Cc1noc([C@@H]2CCCCN2C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1 557766742 BDBDLHBJMSQVNY-LIRRHRJNSA-N 436.472 4.222 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)N2CCCc3occc3C2)cc1[N+](=O)[O-] 558577885 AEUGHPCGLLPKAH-UHFFFAOYSA-N 433.464 4.073 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3)c2)c1 558771012 FSKFNIWZYKWWIW-UHFFFAOYSA-N 441.465 4.047 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 561194788 VXAKNXHDLRSWOH-CEXWTWQISA-N 430.888 4.048 5 20 IIBD COC(=O)c1cc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C)c(C)c([N+](=O)[O-])c1 564046913 DJIBXAJCVITLOP-UHFFFAOYSA-N 428.832 4.090 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(Oc3cccnc3)cc2)c([N+](=O)[O-])c1 567080375 KHGYRCBBASHXCA-HZPDHXFCSA-N 436.468 4.469 5 20 IIBD CCOc1cc(NC(=O)N2CCN(C3CCC(C)CC3)CC2)c([N+](=O)[O-])cc1OCC 571748975 CBPRBYDJDDYNMM-UHFFFAOYSA-N 434.537 4.120 5 20 IIBD O=C(Cc1noc(-c2ccc3[nH]c4ccccc4c(=O)c3c2)n1)NCc1cccc(Cl)c1 575785496 JMWIAZQEMYHQGH-UHFFFAOYSA-N 444.878 4.244 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N3C[C@H](C)S[C@@H](C)C3)c([N+](=O)[O-])c2)c(C)c1 576798796 BJQMLHVKLHYGGU-HOTGVXAUSA-N 435.571 4.343 5 20 IIBD Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 603727640 HWACVLCTDDAEPR-UHFFFAOYSA-N 436.497 4.106 5 20 IIBD CCCN(CCC)C(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1 603981269 PSGIZBBRMGWUBS-UHFFFAOYSA-N 433.530 4.275 5 20 IIBD O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 604258205 VGXOGPXFTSWFME-QWRGUYRKSA-N 425.329 4.372 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ccccc1N1CCCC1 604286329 DQVMFZISEYQOCA-UHFFFAOYSA-N 436.434 4.332 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC1CCN(Cc2ccccc2)CC1 604445533 MUOSJDVKQQWHAH-INIZCTEOSA-N 431.920 4.044 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CCC[C@@H]2C[C@@H]2C[C@H]3CC[C@H]2C3)cc1[N+](=O)[O-] 608880316 CMCAMMNFDONLJB-UOVPBQLFSA-N 441.557 4.305 5 20 IIBD CC(C)Sc1ccc(Cl)cc1NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 609183173 KNCLBCNZMRYMOF-UHFFFAOYSA-N 428.919 4.405 5 20 IIBD O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 609187070 AHMQDHHGXZHIRH-MRXNPFEDSA-N 426.473 4.463 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N(CCc1ccccc1)Cc1cccnc1 609762226 FCCUZBLDIWUEST-UHFFFAOYSA-N 428.448 4.129 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NC[C@@H](O)CC(C)(C)C)c([N+](=O)[O-])c1 609765744 QPQRSGTZXONUHP-KRWDZBQOSA-N 435.546 4.019 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCC[C@@H](N3CCCC3)CC2)cc1[N+](=O)[O-])c1ccccn1 609977469 LFXDHMMUJUNFHG-UYAOXDASSA-N 437.544 4.253 5 20 IIBD C[C@@H]1c2ccc(F)cc2CCN1C(=O)c1ccc([N+](=O)[O-])cc1I 609978718 JSBZITGFVYETNC-SNVBAGLBSA-N 440.212 4.098 5 20 IIBD COCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1Cl 610041250 VXSYAYQWSFRYRL-UHFFFAOYSA-N 429.654 4.288 5 20 IIBD COc1cc(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)cc([N+](=O)[O-])c1OC 610171324 GPPOGABUXQSICX-UHFFFAOYSA-N 447.875 4.144 5 20 IIBD CC(C)(C)OCc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 610624564 GGFSNNSLFWJHAK-INIZCTEOSA-N 431.514 4.215 5 20 IIBD COC(=O)COc1ccc(CNc2ccc(C(F)(F)C(F)(F)F)cc2)cc1[N+](=O)[O-] 616094575 IOKGLKXLHHPITQ-UHFFFAOYSA-N 434.317 4.413 5 20 IIBD CCc1nc2ccc(-c3nc(Cc4cc(OC)cc(OC)c4[N+](=O)[O-])no3)cc2nc1CC 618438653 OHWOUPQUMZYSGB-UHFFFAOYSA-N 449.467 4.321 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 672816435 ZYFZZMFVQOPUCV-ZIAGYGMSSA-N 428.332 4.494 5 20 IIBD CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 725750666 ODDOTGDAKCTMDY-GOSISDBHSA-N 446.548 4.057 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 727124706 OZMIMKJTHZWPNX-GOSISDBHSA-N 433.892 4.473 5 20 IIBD CC(C)CNC(=O)c1cccc(COC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 727513875 UTJDGUSABBDIQV-CQSZACIVSA-N 434.876 4.145 5 20 IIBD COc1cccc(NC(=O)c2ccccc2NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)c1 727661977 KZIHQWNFMSJGAM-UHFFFAOYSA-N 435.436 4.046 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(OCCNC(=O)OC(C)(C)C)c1 728394983 QDJGHYDNORYKHZ-UHFFFAOYSA-N 444.488 4.162 5 20 IIBD CCCC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(OC)cc1 728495695 DHWZSPMPYZLDKG-NRFANRHFSA-N 427.501 4.101 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)Oc1ccc(-c2noc([C@H]3CCCO3)n2)cc1 729113293 YQVURZBMZVKTLN-LJQANCHMSA-N 438.440 4.294 5 20 IIBD CC(C)c1cccc(O[C@H](C)C(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 729192014 DNTPUXJPJBTOLF-QGZVFWFLSA-N 427.501 4.340 5 20 IIBD CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC1 729522797 SUHOOHUSQJBKRM-IBGZPJMESA-N 439.512 4.075 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1 730073724 GUXBBUKELBKAJG-UHFFFAOYSA-N 429.860 4.118 5 20 IIBD CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2cscn2)NC(=O)N1Cc1ccccc1 731422169 YAZAOVNEJDHAGK-HXUWFJFHSA-N 449.492 4.231 5 20 IIBD Cc1ccc(Cc2sc(NC(=O)COc3ccc(C=O)cc3[N+](=O)[O-])nc2C)cc1 731611565 GHLFUYCLPZNOIO-UHFFFAOYSA-N 425.466 4.089 5 20 IIBD O=C(/C=C/c1ccc(I)o1)OCc1ccc(Cl)c([N+](=O)[O-])c1 735900176 BHVAOKFEZUPXTB-ZZXKWVIFSA-N 433.585 4.202 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OC[C@@H]1CC(=O)N(C)[C@H]1c1cccc(Cl)c1 737384823 IVUKHGOEBPTGDA-KPHUOKFYSA-N 448.928 4.492 5 20 IIBD O=C(N[C@@H](Cc1ccccc1)c1ccccc1F)c1cc([N+](=O)[O-])ccc1N1CCOCC1 740798885 JLZGSHHDYHQJNA-QHCPKHFHSA-N 449.482 4.284 5 20 IIBD Cc1ccc(N(CCc2cnn(C)c2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 740872081 GVYULCKBXCNLIO-UHFFFAOYSA-N 448.932 4.037 5 20 IIBD COC(=O)C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c2ccccc21 741583737 LFVXMDXSPKVKCR-QGZVFWFLSA-N 437.496 4.138 5 20 IIBD CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)c2ccccc2O1 741999128 HICUOQBQFKNIHT-LBPRGKRZSA-N 438.221 4.017 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)Cc1cc(F)ccc1F)c1cccc([N+](=O)[O-])c1 742556350 HZBOFMDGDPZURC-SFHVURJKSA-N 432.423 4.044 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H](COC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 744130099 IDOXFWQDFWVICM-LBPRGKRZSA-N 432.395 4.418 5 20 IIBD CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 745074695 WBNIWNXEZITYSB-AWEZNQCLSA-N 438.436 4.392 5 20 IIBD O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)OCc1cc(Cl)ccc1[N+](=O)[O-] 746064484 UTEUDGOKXKYEJF-HNNXBMFYSA-N 427.265 4.448 5 20 IIBD C[C@@H](OC(=O)c1cnn(-c2ccccc2Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 747507383 AECOIJYOTCHAAC-LLVKDONJSA-N 449.250 4.271 5 20 IIBD C[C@H](OC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 748910184 KXYZMNLCSKYJDK-GLQYFDAESA-N 433.258 4.031 5 20 IIBD CCCc1nc(C(=O)OCc2ccc(OC)c([N+](=O)[O-])c2)nn1-c1ccccc1Cl 748938982 ITNUMASBJCILQB-UHFFFAOYSA-N 430.848 4.147 5 20 IIBD Cc1c(C(=O)O[C@@H](C(=O)N2CCCCC2)c2ccccc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748945889 BKQMSPBRIIHUDT-HXUWFJFHSA-N 441.440 4.030 5 20 IIBD Cc1nc(C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)nn1-c1ccccc1C(C)C 750204845 QYFUJWZSHCXQSW-UHFFFAOYSA-N 448.439 4.014 5 20 IIBD CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 751310671 UBSFXQFLPDZLFV-YCRPNKLZSA-N 443.931 4.206 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(c3cccc(F)c3)CC2)cc1Br 751989295 YTVZAHHXYKVEKP-UHFFFAOYSA-N 443.294 4.065 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN(Cc1ccccc1)C[C@]1(O)CCc2ccccc21 752128501 AVKCNEQVCHDTGN-AREMUKBSSA-N 445.519 4.178 5 20 IIBD C[C@H](C[C@@H](O)c1cccs1)NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 752281536 OKQBJFQOLBFVPS-IAQYHMDHSA-N 431.436 4.106 5 20 IIBD CC(C)(C)C[C@@H](NC(=O)COC(=O)c1c(F)ccc([N+](=O)[O-])c1F)c1ccc(F)cc1 752560667 AAMCRYPWIOOOET-OAHLLOKOSA-N 438.402 4.463 5 20 IIBD O=C(N[C@@H](c1ccccc1)c1cccnc1)c1cc(F)cc([N+](=O)[O-])c1Br 754995492 DTBUTJRJFMUDMG-SFHVURJKSA-N 430.233 4.411 5 20 IIBD O=C(Nc1nc2ccccc2n1C1CC1)c1ccc(I)c([N+](=O)[O-])c1 755149820 BHBMFZWAGWMJDV-UHFFFAOYSA-N 448.220 4.136 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2ncc(F)cc2F)c2ccccc2)c([N+](=O)[O-])c1 758621621 WCFVQTMPKIFOGP-IBGZPJMESA-N 427.363 4.113 5 20 IIBD CC(C)(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)C(=O)OCc1ccccc1 759043136 MSFHNEYXAZZGAU-QGZVFWFLSA-N 449.301 4.245 5 20 IIBD O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 762104590 ZCMUWAALVMOOTN-CVEARBPZSA-N 445.863 4.154 5 20 IIBD O=C(N[C@@H]1CC[C@H]2SCCS[C@@H]12)c1cc(Br)cc([N+](=O)[O-])c1Cl 763180611 GRBRADDLFHXGPI-XWIASGKRSA-N 437.768 4.120 5 20 IIBD Cc1cc2c(cc1Br)N(C(=O)c1cc(F)c([N+](=O)[O-])cc1F)C[C@H](C)O2 763508800 DWBLGYNTHSEXDL-VIFPVBQESA-N 427.201 4.372 5 20 IIBD COC(=O)c1ccc(Cl)c(NC(=O)c2cc([N+](=O)[O-])ccc2Br)c1C 767226854 HUGPEMRUBXFCFZ-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD Cc1nn(CN2CCC[C@H]2c2cc(F)cc(Br)c2)c2ncc([N+](=O)[O-])cc12 767503539 PMQOXDZHJJGRPY-KRWDZBQOSA-N 434.269 4.344 5 20 IIBD C[C@H](OC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 767689294 LXJRXPVQWKMHAH-RYUDHWBXSA-N 425.268 4.253 5 20 IIBD CC(=O)[C@@H](Cc1ccc(F)c(F)c1F)OC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 768643862 PJBBDAPQZLURPH-QLJPJBMISA-N 445.777 4.176 5 20 IIBD CC[C@H](c1ccccc1)N(CC(=O)OC)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 770034934 VIXPBUIVCLTTMW-MRXNPFEDSA-N 435.274 4.124 5 20 IIBD CN(CCC1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1)C(=O)OC(C)(C)C 770232099 CCKMDHPUDMDPBT-UHFFFAOYSA-N 430.505 4.185 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(Cl)cc1C(F)(F)F 770499194 AUVNVUGAOOQJFV-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCc2sc(Br)cc2C1 772222688 SUYFPSYKIYERDD-UHFFFAOYSA-N 446.120 4.380 5 20 IIBD CC(C)([C@@H](OC(=O)c1cccc2nc(O)oc12)c1ccc(Br)cc1)[N+](=O)[O-] 774375828 TUBWROMPWNCOHW-HNNXBMFYSA-N 435.230 4.249 5 20 IIBD O=C(O[C@H]1CCc2[nH]c3ccc(Cl)cc3c2C1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 776131472 GQQMJDBURKSTEL-AWEZNQCLSA-N 437.843 4.025 5 20 IIBD COC(=O)N1CCC([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 776978340 UZGVYLQWZBZIHJ-OAHLLOKOSA-N 443.525 4.343 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 778756496 HDFJOWCGBUJYRN-OAHLLOKOSA-N 429.450 4.388 5 20 IIBD O=C(CCc1nc(-c2ccc(Cl)cc2)no1)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 778791954 UFNBSJZONWJGCO-GOSISDBHSA-N 442.859 4.053 5 20 IIBD O=C(CCc1ncc(-c2ccc(F)cc2F)o1)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 778793051 AJJZOJOWGLROLW-QGZVFWFLSA-N 443.406 4.283 5 20 IIBD CCOc1ccc(NCc2ccc([N+](=O)[O-])cc2Cl)cc1S(=O)(=O)N(CC)CC 782217496 PXGVLQQLFOUUQI-UHFFFAOYSA-N 441.937 4.290 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@H]1CCCc2cn(C3CCCC3)nc21 782371225 XXKPXQSUJQPTHA-INIZCTEOSA-N 429.433 4.091 5 20 IIBD Cc1c(C(=O)N2C[C@@H](c3cccc(Cl)c3)OC[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 782716580 MXBVKAVGWIQZDO-ZMZPIMSZSA-N 433.848 4.375 5 20 IIBD COC(=O)Nc1ccc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1F 783085945 LLKPRRPVSOWCNA-UHFFFAOYSA-N 426.198 4.235 5 20 IIBD CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br 784741842 GUDPCMKUZBITPU-LJQANCHMSA-N 439.281 4.300 5 20 IIBD CC(C)(NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C1CCOCC1 786346001 QGKKHUFGSKHRKL-UHFFFAOYSA-N 443.466 4.151 5 20 IIBD C[C@H](OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)c1ccccc1C(F)(F)F 789035250 FGLKIJQFYFXUGX-LBPRGKRZSA-N 433.342 4.228 5 20 IIBD O=[N+]([O-])c1ccc(Br)c2c1CN(C(=S)NCCCCC(F)(F)F)CC2 789348535 ITAQLKPPIYCDJZ-UHFFFAOYSA-N 440.285 4.323 5 20 IIBD CCC(C)(C)c1ccc(NS(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)cc1 790356558 MGGKDDNBIDCSHD-UHFFFAOYSA-N 433.486 4.040 5 20 IIBD O=C([C@@H]1C[C@@H]1c1cccc(F)c1F)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791170058 ZSKXEDNDRUGPLT-CHWSQXEVSA-N 437.240 4.324 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Oc2ccc(-c3ncnn3C)cc2)cc1[N+](=O)[O-])c1ccccn1 792132739 OPRGQYHRDOQJHX-OAHLLOKOSA-N 444.451 4.178 5 20 IIBD O=C1OCCN1c1cc(Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])ccc1F 795245338 ATKPJSYRRNZVHY-UHFFFAOYSA-N 436.268 4.483 5 20 IIBD CCc1noc(-c2ccc(C)c(NS(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)c2)n1 795330481 AOJQELUHAQHQHY-UHFFFAOYSA-N 440.840 4.109 5 20 IIBD CCCc1nc(C)c(NS(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])s1 795352801 RRJCPKUEVSOWEU-UHFFFAOYSA-N 438.300 4.015 5 20 IIBD COC(=O)Nc1cccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c1C 798054622 SGKYANYWFVGWJT-UHFFFAOYSA-N 426.198 4.235 5 20 IIBD O=C([C@H]1CCCCN1C1CCCC1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 803547237 WQUIOYJGDOCQCH-LJQANCHMSA-N 436.350 4.039 5 20 IIBD CC(C)(C)OC(=O)NC[C@H](Nc1nc(O)c2cc([N+](=O)[O-])ccc2n1)C1CCCCC1 804447248 ZTFUUOYRZZUPBW-KRWDZBQOSA-N 431.493 4.129 5 20 IIBD Cc1csc(C2(NS(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)CCCC2)n1 809393226 WYUIPCMORVRFJL-UHFFFAOYSA-N 436.342 4.414 5 20 IIBD COCCN([C@@H](C)c1ccccc1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 809811602 DYWKJHZJAWCCCZ-LBPRGKRZSA-N 433.313 4.300 5 20 IIBD C[C@@H](C(=O)N1CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccc([N+](=O)[O-])cc1F 810948140 YUPFKLZQWJVENN-WBVHZDCISA-N 449.523 4.333 5 20 IIBD COc1cc(COC(=O)c2cnnc(-c3ccccc3)c2)c([N+](=O)[O-])cc1OC(F)F 811287768 DUOVGLDLSIGVGH-UHFFFAOYSA-N 431.351 4.019 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](C2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)CC2)C1 811810151 VAEZXCALAOBASY-HNNXBMFYSA-N 436.484 4.235 5 20 IIBD C[C@H](CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@@H](C)CO)c1ccccc1 813670134 PNVYLCXVXWNTFV-OLZOCXBDSA-N 439.281 4.123 5 20 IIBD O=C(c1c(Cl)cncc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 815313257 BBZLEKYAYUGJMP-UHFFFAOYSA-N 449.216 4.278 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1ccc(O)cc1O 849120491 VQVLDROKRMJIAP-LJQANCHMSA-N 442.811 4.196 5 20 IIBD CCOc1cccc2c1OCC(C(=O)O[C@H](C)c1nnc(-c3ccc([N+](=O)[O-])cc3)o1)=C2 919168996 SMUKBJOXFMGPKX-CYBMUJFWSA-N 437.408 4.124 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OC1CCCC1 919447945 LDEAROSNCIJNKP-AWEZNQCLSA-N 428.441 4.109 5 20 IIBD CCCCc1nc(-c2ccc(OS(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)no1 919928344 IGYDMWZZHFGJTE-UHFFFAOYSA-N 437.861 4.409 5 20 IIBD Cc1nccn1-c1ncccc1NC(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 919982733 LBWSNJMJFQOYFH-IYBDPMFKSA-N 434.500 4.219 5 20 IIBD Cc1cc(NC(=O)[C@@H](C)SCC(=O)Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])no1 920330395 BTXDHONPTXCSRD-CQSZACIVSA-N 441.465 4.224 5 20 IIBD COc1cc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)c([N+](=O)[O-])cc1OCC(F)(F)F 921274745 OOXJHXYUSXFPJZ-MLPAPPSSSA-N 440.305 4.028 5 20 IIBD CCc1ccc([C@@H](NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)c2cccc(F)c2)cc1 1317735393 XYAMOTHQRCAKSZ-HSZRJFAPSA-N 449.438 4.110 5 20 IIBD Cc1cccc(CN2CCCC[C@H]2C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 1318959665 VXYIUKHKWIHNPR-FQEVSTJZSA-N 436.468 4.051 5 20 IIBD CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)n2)cc1 1319629078 LYCJRUDOBWPQKN-UHFFFAOYSA-N 447.476 4.155 5 20 IIBD CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 1320696686 HWAKMNGQJOFMDU-UHFFFAOYSA-N 435.427 4.028 5 20 IIBD COC(=O)C[C@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 1339005022 TZMJEROXZRHGJA-AWEZNQCLSA-N 430.766 4.301 5 20 IIBD COc1cc(C(C)=O)ccc1OCCCc1nc(-c2cc(C)c([N+](=O)[O-])cc2C)no1 1342549278 JXLSMKVLBKIRPY-UHFFFAOYSA-N 425.441 4.484 5 20 IIBD CCCn1nc(-c2nnc(-c3ccc(C(F)(F)F)cc3[N+](=O)[O-])o2)c2ccccc2c1=O 1345682995 MEXQKNPFJOORSR-UHFFFAOYSA-N 445.357 4.451 5 20 IIBD Cc1nc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])o4)CCC3)cc2)ccc1F 1787072343 OIAWBFUTSQJMTB-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccncc3Cl)cc2)CCC1)c1ccc([N+](=O)[O-])o1 1789727176 ZVNGSRPMEDIVSD-UHFFFAOYSA-N 440.843 4.298 5 20 IIBD C[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)CCC2)cc1)n1cccc1 1791789524 GLBXMIJNDONORU-INIZCTEOSA-N 448.479 4.111 5 20 IIBD O=C(Cc1cc(F)ccc1[N+](=O)[O-])Nc1ccc(C2(NC(=O)C3(F)CCC3)CCC2)cc1 1792310318 ZVIAMYHBVGTRNS-UHFFFAOYSA-N 443.450 4.303 5 20 IIBD Cc1ccc([C@@H](C)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 1800526363 NBZVGECCSXAEDN-HUJKARHJSA-N 439.487 4.098 5 20 IIBD O=C(Cc1ccc(Cl)cc1[N+](=O)[O-])Nc1cc([C@H]2CCCCN2C(=O)C2CCC2)[nH]n1 1814844260 BBNTUVOESFMVBZ-QGZVFWFLSA-N 445.907 4.006 5 20 IIBD CC/C=C(\C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])[nH]n1 1823098776 IKODDRIPEBQLAP-RBOSBFLESA-N 437.500 4.380 5 20 IIBD Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)CC(C)C)CC2)cc1[N+](=O)[O-] 1826342715 OIUSZKQKIKLCEE-NRFANRHFSA-N 429.561 4.112 5 20 IIBD CC[C@H]1CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)CC1 1829835464 BUJFQGMZCTYPNW-CUWPLCDZSA-N 444.576 4.373 5 20 IIBD Cc1cc(C)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)c1 1830007114 BQUSRMOQWTYWGF-HXUWFJFHSA-N 439.512 4.352 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc2c1oc1ccccc12 1847169733 CFQYDJPLZFAWEH-ROUUACIJSA-N 445.431 4.216 5 20 IIBD Cc1cc(Cl)ccc1NC(=O)COC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 9332715 IWFWDCAFKWSQPR-UHFFFAOYSA-N 445.781 4.169 5 20 IIBD O=C(COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(OC(F)F)c(Cl)c1 10759841 JKUNIBQCEVLUNQ-FPYGCLRLSA-N 426.759 4.045 5 20 IIBD C[C@H]([C@H](OC(=O)C1CCCC1)c1ccccc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 16006704 FZGNOHHKWHJTNW-IERDGZPVSA-N 446.525 4.079 5 20 IIBD COc1ccc(-c2nc(C(=O)OCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])cs2)cc1 19176008 KFBRCFLAZZWXRX-UHFFFAOYSA-N 447.856 4.176 5 20 IIBD O=C(c1ccccc1OC(F)F)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 22924155 HZDMZLXDUPRNJQ-UHFFFAOYSA-N 445.344 4.177 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1CN(C)C1CCCCC1 32412176 IIQHZEVMLNUZLK-UHFFFAOYSA-N 433.530 4.169 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCc1cccc(COCc2ccccc2)c1 32442064 RMWKHLYYSANXRO-UHFFFAOYSA-N 446.912 4.444 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 43840824 YMHTVRNXVTWMRS-HXUWFJFHSA-N 431.492 4.259 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N(Cc2ccco2)c2ccccc2)cc1[N+](=O)[O-] 57659448 XROAYVCEBQQDCI-UHFFFAOYSA-N 435.465 4.315 5 20 IIBD O=C1[C@@H](c2ccccc2)N(Cc2ccccc2)C(=O)N1CCOc1ccccc1[N+](=O)[O-] 59017066 GSQCCTYSCUBHGH-JOCHJYFZSA-N 431.448 4.179 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc([C@H](C)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 111194205 KIBQNQQACRFAAW-ZDUSSCGKSA-N 434.543 4.408 5 20 IIBD O=C(NCc1ccccc1)c1cccc(Oc2ncc([N+](=O)[O-])cc2Br)c1 301523339 HUPVOVVAONLVOK-UHFFFAOYSA-N 428.242 4.475 5 20 IIBD C[C@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)Sc1ccc(Br)cc1 303400837 OVJKGMMZMUDSCT-SNVBAGLBSA-N 435.303 4.144 5 20 IIBD CCOc1cc(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)ccc1OC(F)F 426022171 PIBQDXBZFLBRAO-UHFFFAOYSA-N 435.427 4.469 5 20 IIBD C[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1nc(Cc2ccccc2)no1 426030838 VRLSVTXYEQKXLH-LBPRGKRZSA-N 449.389 4.148 5 20 IIBD O=C(NCCn1cc([N+](=O)[O-])cn1)Nc1ccc(F)cc1-c1nc2ccccc2s1 426068852 ZTGSGLCORCGFJK-UHFFFAOYSA-N 426.433 4.029 5 20 IIBD CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)cc1Br 428440217 RYVQONCQBUDMLL-UHFFFAOYSA-N 441.303 4.093 5 20 IIBD CC(C)Oc1ccc(C(=O)O)cc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 431446528 BVZFZJCXIXTEMU-UHFFFAOYSA-N 430.460 4.279 5 20 IIBD CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 432309279 AIQSZDSHCVQXTK-UHFFFAOYSA-N 434.290 4.075 5 20 IIBD COc1cc(NC2CCN(C(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)CC2)cc(OC)c1 432593373 NGTVUHGTOCZFKK-HNNXBMFYSA-N 445.541 4.196 5 20 IIBD O=C(Cn1cnc2sccc2c1=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435449854 WTFNYJMDCUBDPE-UHFFFAOYSA-N 444.519 4.218 5 20 IIBD O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 435931990 APOKCFZIXDWCDG-UHFFFAOYSA-N 447.441 4.448 5 20 IIBD CC(C)c1ccc(C(=O)Nc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1[N+](=O)[O-] 438969853 FLTQVUFYBNYIMP-HOTGVXAUSA-N 425.485 4.220 5 20 IIBD CSc1ccccc1NC(=O)CN(C)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 439262903 WADYVSMIWGPION-UHFFFAOYSA-N 436.493 4.089 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3cc([C@@H]4C[C@H]5CC[C@H]4C5)[nH]n3)cc2)c(C)c1[N+](=O)[O-] 439335752 BNLHKRYBAVPPEV-YTQUADARSA-N 434.500 4.335 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1cn(-c2ccccc2)nc1-c1ccccc1 444636682 OMXSOQUMBRWNJV-UHFFFAOYSA-N 438.447 4.254 5 20 IIBD C[C@H](NC(=O)c1cnc(O)c([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)cs1 444965725 LVUHZAAIGALDPO-VIFPVBQESA-N 449.286 4.072 5 20 IIBD Cc1cc(N2C[C@H](c3nc(-c4ccc([N+](=O)[O-])s4)no3)CC2=O)ccc1Br 445480715 ISZDWUZLIJVCTD-SNVBAGLBSA-N 449.286 4.298 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3Cc4ccccc4C4(CCC4)C3)n2C[C@@H]2CCOC2)c1 461365436 KGMBFSSVFKOBRO-SFHVURJKSA-N 445.523 4.332 5 20 IIBD O=C(N[C@@H]1CCN(c2ccccc2OC(F)F)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 463731321 QATHDFFJOOGMPP-GFCCVEGCSA-N 445.344 4.224 5 20 IIBD Cn1nc(-c2cccs2)nc1NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 464522638 LDNWQWYLVNXSEZ-UHFFFAOYSA-N 434.481 4.316 5 20 IIBD O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1CCOC2(CCOCC2)C1 466433908 LNRLOHWDPLCBTG-UHFFFAOYSA-N 448.928 4.421 5 20 IIBD Cc1cc(C(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)ccc1[N+](=O)[O-] 468740733 ZARKVIZPPPANQU-UHFFFAOYSA-N 432.274 4.154 5 20 IIBD C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCc2c([N+](=O)[O-])ncn2C)nnc1-c1ccco1 476489344 WLZKWMQMTCWUME-QPSCCSFWSA-N 428.518 4.469 5 20 IIBD CC[C@@H](Cc1ccccc1Br)N(C)C(=O)CCn1nc(C)c([N+](=O)[O-])c1C 476803589 YXZGCIHIYDQPNY-INIZCTEOSA-N 437.338 4.040 5 20 IIBD C[C@@H]1CCCCN1CCC1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 478607961 AYDXFYLRLXKBGE-HXUWFJFHSA-N 442.604 4.314 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCC(CO)(c2ccccc2)CC1 480043269 HLHYIRRLEMWNNT-UHFFFAOYSA-N 448.469 4.126 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] 480195390 VGNUBRQTNCDGSZ-CQSZACIVSA-N 445.541 4.193 5 20 IIBD COC(=O)[C@](C)(NCc1cc(OC)c(F)cc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 481627359 RZTCFZKNBORTEK-GOSISDBHSA-N 431.247 4.227 5 20 IIBD CC(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 484330393 DJJYKZONWZFYHV-UHFFFAOYSA-N 426.300 4.138 5 20 IIBD CC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1cc(F)cc(Br)c1 485802941 CREWMBFUVUHKLY-HNNXBMFYSA-N 440.269 4.184 5 20 IIBD COc1cc(NC(=O)c2ccccc2[N+](=O)[O-])c(Br)cc1Br 486124596 GJCBWTHXYSWQTC-UHFFFAOYSA-N 430.052 4.381 5 20 IIBD CC1(C)Cc2cccc(OCC(=O)N(Cc3ccccc3[N+](=O)[O-])CC(F)(F)F)c2O1 486126947 YOLIOMMJPRBDFA-UHFFFAOYSA-N 438.402 4.278 5 20 IIBD CC(C)c1c(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cnn1-c1cccc(Cl)c1 487036559 PYESXMDROAOMJN-UHFFFAOYSA-N 442.907 4.231 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)cc1 488742788 ULCPUPCFGIHFSB-NRFANRHFSA-N 432.448 4.276 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CCC[C@@H](c2ccccc2)CC1 488821501 IOWHOLKLFCSIMH-OAHLLOKOSA-N 439.331 4.316 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N[C@@H](COc2ccccc2F)C(C)(C)C)c([N+](=O)[O-])c1 489143263 XZFBCEZXMWGENR-VLIAUNLRSA-N 433.480 4.153 5 20 IIBD C[C@@H](Sc1nnc(-c2ccccn2)n1-c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 489411834 QIDSFJWZRMKWEW-OAHLLOKOSA-N 446.492 4.357 5 20 IIBD O=C(Nc1cccc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1)c1ccncc1 489679990 ABCFWAQHWFFCSM-UHFFFAOYSA-N 445.479 4.116 5 20 IIBD COc1cccc(CN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C2CCC(O)CC2)c1 493030222 GWDPRVWTCQYCPD-MDMXATFFSA-N 441.528 4.488 5 20 IIBD O=C(c1cc(F)ccc1I)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 493109363 ZWWNEXJLWHSKPV-UHFFFAOYSA-N 440.212 4.143 5 20 IIBD CC(C)Cc1ccc([C@H](NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C2CC2)cc1 494913623 ZIBSVAVUSOBQCQ-QFIPXVFZSA-N 425.533 4.488 5 20 IIBD CCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 497899737 QBLTZXNITAGBKI-HSZRJFAPSA-N 439.491 4.279 5 20 IIBD C[C@H](CCN(C)C)NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 498648511 IBEYUTWCFVEDCR-CYBMUJFWSA-N 430.555 4.426 5 20 IIBD Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1c([N+](=O)[O-])cnn1C 500900053 HJEHRHPXRGFKHV-UHFFFAOYSA-N 447.373 4.160 5 20 IIBD CN(C(=O)CN1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1)c1ccc([N+](=O)[O-])cc1 502756392 QWHAZLCKIAZRNH-NRFANRHFSA-N 437.475 4.314 5 20 IIBD CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 505418379 AYMXBGYOCJVSNE-LJQANCHMSA-N 432.318 4.266 5 20 IIBD CS(=O)(=O)c1cc(SCCOc2ccc(OC(F)(F)F)cc2)ccc1[N+](=O)[O-] 507638466 WYFADRPRDCLYEC-UHFFFAOYSA-N 437.417 4.068 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1scnc1C1CC1 509298980 VOQRHUTYSSFJRP-UHFFFAOYSA-N 429.239 4.094 5 20 IIBD Cc1ccc(C(C)C)c(Oc2ccc(CNC[C@H](O)CN3CCCC3)cc2[N+](=O)[O-])c1 509602370 NZAODMLBJRETCQ-FQEVSTJZSA-N 427.545 4.365 5 20 IIBD CCOC(=O)CN(C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)c1ccccc1F 510586254 BJKZSYOTXBLFOU-UHFFFAOYSA-N 439.237 4.015 5 20 IIBD O=C(Nc1cc2ccc(Br)cn2n1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 511332209 HXWXFPIXKCYLOI-UHFFFAOYSA-N 444.270 4.381 5 20 IIBD Cn1ccnc1[C@H](NCCCC(=O)Nc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 513654365 IDUGQNYTTFZWKO-HXUWFJFHSA-N 427.892 4.080 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CSc3nnc(NCc4ccccc4)s3)n2)cc1 514572093 RKUWUBKGJPCUAW-UHFFFAOYSA-N 426.483 4.401 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@H]3CCN(c4ccccc4)C3)cc2[N+](=O)[O-])C1 515554386 ADJWIDDNKBQHIU-VAMGGRTRSA-N 436.556 4.333 5 20 IIBD COc1ccc(-c2cnc(NC(=O)c3ccc([N+](=O)[O-])cc3Br)n2C)cc1 516598492 VZZFGWRMJYAKPY-UHFFFAOYSA-N 431.246 4.019 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN3CCCC[C@@H]3c3nc(-c4ccccc4)no3)o2)cc1 519516256 FASGZDNTBLYBBY-GOSISDBHSA-N 432.440 4.422 5 20 IIBD Cc1cccn(Cc2c(F)cccc2NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c1=O 519842080 OUOMBKGSPBFDFK-AWEZNQCLSA-N 427.407 4.134 5 20 IIBD C[C@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] 521488811 YSFORGQOQCPGJJ-BBATYDOGSA-N 436.331 4.369 5 20 IIBD COc1ccc(CNC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)c(C(F)(F)F)c1 522582929 ACXZCTFJJBZLKP-UHFFFAOYSA-N 444.431 4.180 5 20 IIBD Cc1nn(CCC(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)c(C)c1[N+](=O)[O-] 522646479 RWFXDJFLIIHEEA-SSEXGKCCSA-N 432.546 4.018 5 20 IIBD CCOC(=O)c1cc(Br)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 525048566 XBWQIXSBCBAYQA-UHFFFAOYSA-N 427.638 4.440 5 20 IIBD CN(C)C(=O)C[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc21 525608496 ZKSNXLHTUBXQJR-OAHLLOKOSA-N 444.919 4.049 5 20 IIBD COc1cc(CNc2ccc(C)c(-n3cnnn3)c2)c([N+](=O)[O-])cc1OCc1ccccc1 532888359 XUBZJDRLJPRIFS-UHFFFAOYSA-N 446.467 4.079 5 20 IIBD COc1ccccc1COc1cccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c1C 534751558 GYLQTRMMVOTVBF-UHFFFAOYSA-N 425.416 4.464 5 20 IIBD Cc1cccc(NC(=O)[C@H](C)[S@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1C 534795423 AUKRSEWQDXNKRI-INCQDFKNSA-N 427.482 4.143 5 20 IIBD COc1cc(C(=O)N[C@@H]2CCO[C@@H]2C2CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 534815524 SKMANKKTNBSBAK-FOIQADDNSA-N 432.860 4.346 5 20 IIBD COc1cc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)ncc1Br 535000070 OIFLPHDMQUVTBP-UHFFFAOYSA-N 435.259 4.137 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H]1Cn1cnc2ccccc21 535196019 JUJRYCQJOOTQRE-GOEBONIOSA-N 428.876 4.056 5 20 IIBD CC[C@H](C)n1ncc(NC(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])c1C1CC1 535697441 AZHLMUJXLCGRIJ-ZDUSSCGKSA-N 431.493 4.021 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 539642141 NQRRRCXRPQJEFD-SJORKVTESA-N 435.402 4.313 5 20 IIBD COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 541385561 FTOOTNTUCFSLJY-PKTZIBPZSA-N 445.475 4.299 5 20 IIBD Cc1cc(C(=O)NCC(=O)N[C@@H](c2ccc(Cl)cc2)c2ccsc2)ccc1[N+](=O)[O-] 542020633 IYMZKOACESIZIV-FQEVSTJZSA-N 443.912 4.254 5 20 IIBD CC(C)[C@@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccc(Cl)cc1F 543778349 CWQMSXWVYKZDKI-LJQANCHMSA-N 435.887 4.011 5 20 IIBD COc1ccc2c(c1)C[C@@H](C)N(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H]2C 543789669 MIQYSEUVSSCBHG-OLZOCXBDSA-N 433.302 4.443 5 20 IIBD CN1CCC2(CC1)C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1ccccc1O2 545156189 MJQYGZXNWPXJPJ-FQEVSTJZSA-N 441.503 4.116 5 20 IIBD O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CCC(CC(F)(F)F)CC1 551361807 QUHCRGMGJJHGOV-UHFFFAOYSA-N 442.175 4.004 5 20 IIBD O=C(NCc1nccn1CCCc1ccccc1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 551762124 JIYXHOUNBUNZPA-UHFFFAOYSA-N 432.402 4.373 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 552406767 NBMJSZNMSDBTEQ-UHFFFAOYSA-N 446.794 4.254 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 552681663 IXPAVSQQUKOSST-XMMPIXPASA-N 448.548 4.457 5 20 IIBD CN(c1ccc(Oc2ncnc3sc([N+](=O)[O-])cc23)cc1)S(=O)(=O)c1cccs1 557464464 WBOGHWRNLNZRGF-UHFFFAOYSA-N 448.507 4.278 5 20 IIBD COc1ccccc1[C@H](CN[C@@H](c1ccc([N+](=O)[O-])cc1)c1nccn1C)N1CCCCC1 560518702 RYTHOTHPESSKBS-UPVQGACJSA-N 449.555 4.243 5 20 IIBD COc1cc(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)ccc1OC(F)F 570775736 PIPIQFRNSGCQBR-UHFFFAOYSA-N 449.332 4.223 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1nnc(Cc2ccc3ccccc3c2)o1 578482524 KUOJSFPCJMEBMK-UHFFFAOYSA-N 444.856 4.176 5 20 IIBD CC(C)N(Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N)cc1)C[C@H]1CCCCO1 581090137 ZSCVULDDNOUFIN-LJQANCHMSA-N 426.517 4.209 5 20 IIBD CN(C)c1ncc(Br)cc1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 582022652 BOAFEVKXTUKHPL-UHFFFAOYSA-N 433.184 4.089 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(c2c[nH]c3ccc(F)cc23)CC1 583041868 OUAQBKVECRSWTD-UHFFFAOYSA-N 426.448 4.042 5 20 IIBD NC(=O)c1ccnc(N[C@@H](c2ccccc2)c2ccc(Br)cc2F)c1[N+](=O)[O-] 583745860 WDHWGKVCXRMMOI-INIZCTEOSA-N 445.248 4.192 5 20 IIBD Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cc21 587165077 GKCVVKQDIIANDU-RKDXNWHRSA-N 440.344 4.107 5 20 IIBD CCOc1ccc([C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)C(C)C)cc1OCC 603707760 GAAWMEKAFLTMPN-NRFANRHFSA-N 443.500 4.153 5 20 IIBD CCCOc1cc(NC(=O)c2cc(-c3cccnc3)on2)c([N+](=O)[O-])cc1OCCC 603733382 TXKQHIOSECVZRX-UHFFFAOYSA-N 426.429 4.475 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCc1ccc(S(=O)(=O)N2CCCC2)cc1 603864070 DWWWCJNDYFKTII-UHFFFAOYSA-N 429.420 4.010 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604258126 SXKLPCZJDIXVRH-CHWSQXEVSA-N 439.356 4.398 5 20 IIBD CCCOc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c(C)c1 608805613 SBCBTGUFGUYDLW-NRFANRHFSA-N 425.485 4.244 5 20 IIBD CNC(=O)CCOc1ccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1 609190887 KTXKILDXVZLZGC-UHFFFAOYSA-N 434.452 4.106 5 20 IIBD O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 609443488 NBGFPPUAEQJSHC-UHFFFAOYSA-N 448.420 4.404 5 20 IIBD C[C@H]1CN([C@H](CNc2ncc([N+](=O)[O-])cc2Cl)c2c(F)cccc2Cl)CCO1 609891770 MBJYGQPZLQLHGC-MEDUHNTESA-N 429.279 4.310 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCc1ccc(NC(=O)c2ccncc2)cc1 610101108 SCODAJOVXXOWCH-UHFFFAOYSA-N 447.495 4.064 5 20 IIBD CN(CC1(c2ccc(Br)cc2)CC1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 610166393 UPODFXKWUZQKJD-UHFFFAOYSA-N 448.317 4.109 5 20 IIBD CCOc1cc(NC(=O)c2ccc(OC3CCOCC3)cc2)c([N+](=O)[O-])cc1OCC 610222057 AWNKGUBLXDSAFX-UHFFFAOYSA-N 430.457 4.202 5 20 IIBD O=C(Nc1ccc2c(c1)S(=O)(=O)CC2)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611207047 ZIPOKMPBOVYOFK-UHFFFAOYSA-N 432.523 4.212 5 20 IIBD COC(=O)C(C)(C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 611333070 KIUCYRLRKRRABS-INIZCTEOSA-N 426.469 4.439 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1[N+](=O)[O-])c1ccccn1 611355789 JFTBIPQNCWWELJ-FHWLQOOXSA-N 438.528 4.442 5 20 IIBD O=C(NCCc1ccc(CO)cc1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 611428884 VPIYLEVZPOYYHB-UHFFFAOYSA-N 439.899 4.325 5 20 IIBD COc1cccc(C[C@H]2CCCN2C(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 615050887 HKIOXCBHJWEVJO-HXUWFJFHSA-N 426.516 4.397 5 20 IIBD Cc1ccc(CN(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)nc1 616157667 LPURYQVKYZPRKR-UHFFFAOYSA-N 442.522 4.108 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCc3sccc3C2)nc1 619786920 GWLIRQHIRFMDTD-UHFFFAOYSA-N 437.525 4.320 5 20 IIBD CSc1ccc(C(=O)N2CCO[C@H](c3ccccc3Br)C2)cc1[N+](=O)[O-] 725729563 WVNYJOYLZVHAGM-INIZCTEOSA-N 437.315 4.293 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(N(C)CCCc2cc(-c3ccc(F)cc3)no2)c1[N+](=O)[O-] 725791846 IZKJAIYEROFGME-UHFFFAOYSA-N 444.419 4.167 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C 726518591 DTXCCSYCKVOPQU-UHFFFAOYSA-N 433.486 4.002 5 20 IIBD CSc1ccc2cc(COC(=O)CCn3nc(C)c([N+](=O)[O-])c3C)c(Cl)nc2c1 726646475 BPNPEFXTTYKFNC-UHFFFAOYSA-N 434.905 4.465 5 20 IIBD COc1ccc(-c2ccc(CNc3cc(-c4ccccc4)nn3CCO)o2)c([N+](=O)[O-])c1 727470178 GULSWZZFQDWONV-UHFFFAOYSA-N 434.452 4.331 5 20 IIBD O=C(OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 730613742 RATPFCRJYRRMHK-JKSUJKDBSA-N 435.263 4.138 5 20 IIBD CC(C)Oc1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2I)c1 730931247 NLEZYQMSEWHWDI-UHFFFAOYSA-N 427.194 4.206 5 20 IIBD CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2cnc(C(C)(C)C)s2)NC(=S)N1C 731426021 WBRRFLAFTNNFBT-MRXNPFEDSA-N 445.570 4.123 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])OCc1nn(-c2ccccc2)c2c1CCC2 735149264 QVBIEOBWOVWMFG-UHFFFAOYSA-N 441.871 4.435 5 20 IIBD O=C(N[C@H](Cc1ccccc1)c1cccs1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 735188466 DXIWGCURHNJMJC-OAQYLSRUSA-N 436.537 4.472 5 20 IIBD COC(=O)N(C)Cc1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 735255874 FLIXELJHOKOFRC-UHFFFAOYSA-N 440.500 4.282 5 20 IIBD COC(=O)c1ccc(OS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c(Cl)c1 742270655 HREJXIAWJBFYAG-UHFFFAOYSA-N 440.644 4.109 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Oc1ccc2c(c1)OC1(CCCCC1)CC2=O 742634462 CUTAGBIUPAGSCZ-UHFFFAOYSA-N 431.466 4.339 5 20 IIBD CCc1cnc(COC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)o1 744565128 RIMBAGABZUKSQX-UHFFFAOYSA-N 427.379 4.124 5 20 IIBD C[C@H](c1cc2ccccc2o1)N(C)C(=O)COC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 744614683 MLCBUZVMWBTTPI-OAHLLOKOSA-N 435.436 4.059 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OCCSc2ccc(Cl)cc2)ccc1[N+](=O)[O-] 744927440 LTZRYWSZSWBSRR-LJQANCHMSA-N 448.928 4.497 5 20 IIBD CCN(CC)[C@@H](C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 744995226 CQTLXPRSMDFWCR-AUUYWEPGSA-N 433.892 4.202 5 20 IIBD CCN(CC1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1)C(=O)OC(C)(C)C 745945494 HMRJKWGCFSXNGU-UHFFFAOYSA-N 445.520 4.114 5 20 IIBD CCN(CC)CCOc1ccccc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 748618007 NASBPGKTINEOCX-UHFFFAOYSA-N 430.461 4.093 5 20 IIBD CCN(C(=O)COC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)[C@H](C)c1ccc(F)cc1 748943358 HBESWTNBWSQCET-CQSZACIVSA-N 447.419 4.025 5 20 IIBD CC(=O)c1ccc(OS(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)c([N+](=O)[O-])c1 749947372 FAPCEDZEWNORMH-UHFFFAOYSA-N 439.392 4.095 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 751409652 CNARWKNOHFCWDR-LXPAPQHWSA-N 429.517 4.389 5 20 IIBD COC(=O)c1cc(NC(=O)N(CC(C)C)C[C@H](O)c2ccc(F)cc2)c(C)c([N+](=O)[O-])c1 753129965 ISOYAJIDSOYEGT-FQEVSTJZSA-N 447.463 4.052 5 20 IIBD Cc1cccc(CC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1Cl 753597102 FVFOGXDVNQFANT-UHFFFAOYSA-N 430.766 4.300 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1CCN2C(=O)OC(C)(C)C 753786278 QVMXGCSGADXAIA-UHFFFAOYSA-N 426.473 4.211 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1cccc(OC(F)(F)F)c1 754020527 YVBYLSNVWMNEIN-VXGBXAGGSA-N 427.379 4.180 5 20 IIBD CC[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)Oc1ccccc1C 755019651 ZVSRPMNONUPXIC-CYBMUJFWSA-N 425.254 4.392 5 20 IIBD COc1cc(COC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c([N+](=O)[O-])cc1OC(F)F 755068007 UNOHVKDRBNGXPZ-SECBINFHSA-N 444.318 4.099 5 20 IIBD Cc1c(C(=O)OC[C@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])cccc1-c1ccccn1 755076005 RUKXZSVQOOMITB-GOSISDBHSA-N 445.475 4.427 5 20 IIBD Cc1c(NC(=O)Nc2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cccc1[N+](=O)[O-] 755404095 AKBSTWLAYSNBPE-UHFFFAOYSA-N 444.492 4.316 5 20 IIBD O=C(Nc1ccc(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc1)OCC(F)(F)F 756992500 DLKLVXWKHPUABW-UHFFFAOYSA-N 431.754 4.289 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cnc(Br)c(Br)c1 757827021 DBHBBLBPTYQFEH-UHFFFAOYSA-N 429.068 4.086 5 20 IIBD Cc1nc(NCC(=O)NCCc2cccc([N+](=O)[O-])c2)c2cc(-c3ccccc3)sc2n1 759994675 JASKWSOTIYKEFV-UHFFFAOYSA-N 447.520 4.346 5 20 IIBD C[C@@H](OC(=O)c1ccc(Cl)cc1Br)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 761283461 MALAVUKFFCIDMS-MRVPVSSYSA-N 445.628 4.334 5 20 IIBD O=C(CCn1cc([N+](=O)[O-])cn1)Oc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 761530774 HNFHQUWNSVEMLH-UHFFFAOYSA-N 448.357 4.058 5 20 IIBD COc1c([N+](=O)[O-])cc(NCCc2nc(C)c(C)s2)c([N+](=O)[O-])c1Br 763377336 YZFRKBCLYMTNOC-UHFFFAOYSA-N 431.268 4.002 5 20 IIBD C[C@H]1CCC[C@@H](OCCCCCC(=O)NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 766616135 ZFFVIVUXRKUAKS-LSDHHAIUSA-N 446.953 4.209 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)cc([N+](=O)[O-])c1F 768271675 FSYBWRMQVDRQON-CQSZACIVSA-N 433.461 4.138 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCO[C@@H](c2cccc(Br)c2)C1 768708129 YDDFRPYYGDRIDQ-MRXNPFEDSA-N 425.666 4.224 5 20 IIBD O=Cc1ccc(OCC(=O)N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 769161331 HHAVGFSUIGGIMT-NVXWUHKLSA-N 436.386 4.257 5 20 IIBD COc1cccc(Br)c1OC(=O)c1ccc(Br)cc1[N+](=O)[O-] 769716489 LXEFLBLBAKAUOL-UHFFFAOYSA-N 431.036 4.348 5 20 IIBD COc1ccc(NC(=O)c2nnc(/C(Cl)=C\c3ccc([N+](=O)[O-])c(OC)c3)s2)cc1 770571015 NDXYLAZHHUIVKZ-NTEUORMPSA-N 446.872 4.453 5 20 IIBD Cc1cc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)ccc1NC(=O)OC(C)(C)C 772016422 NJZKBNOWMRSWAG-UHFFFAOYSA-N 440.500 4.213 5 20 IIBD Cc1ccccc1-c1nc(C)c(C(=O)OCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)s1 775121763 ZJEOTLGZWIBYPW-UHFFFAOYSA-N 437.477 4.081 5 20 IIBD Cc1cc(C(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)nn1C1CCCCC1 776516952 JOJYSYIAXMSUPS-UHFFFAOYSA-N 427.505 4.073 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)N1CCc2sccc2C1 780288566 OYRBKELMEADHFU-ZDUSSCGKSA-N 434.539 4.289 5 20 IIBD CC(C)C[C@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 781587117 VBGMQAPNWJDFJA-SFHVURJKSA-N 425.445 4.216 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(Sc2nncs2)cc1 781623282 CINGKISQMYDPJH-UHFFFAOYSA-N 431.455 4.077 5 20 IIBD Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781625849 KBPCSAOIDMFBFH-QFIPXVFZSA-N 444.447 4.287 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H](CCO)c1ccccc1Br 781802045 PJNNMRIRPWOBPB-CQSZACIVSA-N 428.670 4.256 5 20 IIBD O=C(Nc1ccc(CC[C@H](O)c2ccccc2)cc1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 782007722 ZXEPEIGJYXYQMA-ZEQRLZLVSA-N 445.475 4.393 5 20 IIBD COc1ccc(-c2noc([C@@H](C)OC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)cc1 782059753 XPCQIAVVJVXJKS-OLZOCXBDSA-N 429.454 4.438 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)cc1[N+](=O)[O-] 782482053 DRSPDBNRHJDLMM-UHFFFAOYSA-N 439.371 4.309 5 20 IIBD Cc1ccc(-c2nc(C)c([C@H](C)OC(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)s2)cc1 782609162 VHBDTNSEUVVSDA-HNNXBMFYSA-N 439.493 4.369 5 20 IIBD COc1cc([C@@H](C)NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCC(C)C 783296492 JEWGTMDZJVCXSY-CYBMUJFWSA-N 449.891 4.108 5 20 IIBD Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cnc1Br 783551683 IDWQBWKPGXMJAA-UHFFFAOYSA-N 429.068 4.004 5 20 IIBD COC(=O)[C@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1ccc2ccccc2c1 790975697 OOZVBLFQGIBXHJ-HXUWFJFHSA-N 430.819 4.114 5 20 IIBD Cc1ccccc1-n1nc(C)c(CN(C)C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)c1C 791208266 GTKARSXEXYFYFH-UHFFFAOYSA-N 439.491 4.183 5 20 IIBD O=C(c1c(F)c(F)cc(F)c1F)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791243749 DNOBHFOHZJKOKM-UHFFFAOYSA-N 433.155 4.112 5 20 IIBD Cc1cccc(C(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1NC(=O)c1ccoc1C 791765059 FANRNGVYNUFJIT-UHFFFAOYSA-N 439.380 4.322 5 20 IIBD COc1ccc(OC(=O)[C@@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)cc1[N+](=O)[O-] 792123662 ISCFZWRUBVFAOP-QHCPKHFHSA-N 436.464 4.046 5 20 IIBD CC(C)(C)OC(=O)NCc1nc(COc2ccc([N+](=O)[O-])cc2-c2cccs2)no1 799961877 FXQPUAAKTRFKTH-UHFFFAOYSA-N 432.458 4.310 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)O[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)c1F 803457853 CPKZYOYRJWZLEH-HNNXBMFYSA-N 427.215 4.311 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)OCc2nnc(-c3ccc(Br)s3)o2)c1F 803458101 AHDYUZBPFCCSBJ-UHFFFAOYSA-N 442.222 4.273 5 20 IIBD O=C(COc1ccc(Cl)c([N+](=O)[O-])c1)NCc1cccc(COCc2ccco2)c1 808056219 JBCHKWVFZYZXJL-UHFFFAOYSA-N 430.844 4.253 5 20 IIBD CN1CCC(N(C)[C@@H]2CCCC[C@H]2N(C)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 809917503 MIZQWGIRUXIHMC-QZTJIDSGSA-N 437.972 4.049 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@H]1CCCCN(Cc2ccccc2)C1 810983370 RUTQMTIYWIZJIU-QGZVFWFLSA-N 433.911 4.348 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCCc1c[nH]c2cccc(Br)c12 811848511 HTCVTXSSFAZEIA-UHFFFAOYSA-N 445.273 4.450 5 20 IIBD O=C(NC1CCN(CCc2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 915177120 ZIPGYWSENSTQDD-UHFFFAOYSA-N 436.556 4.022 5 20 IIBD COc1cccc(OC)c1OC1CCN(Cn2c(=S)oc3ccc([N+](=O)[O-])cc32)CC1 917470203 AHDUACHFLSSCHR-UHFFFAOYSA-N 445.497 4.390 5 20 IIBD C[C@H](Nc1ccc(C(=O)OCC(=O)NCC2CCCCC2)cc1[N+](=O)[O-])c1ccccn1 920545182 GOPMGYWQRKNVJY-INIZCTEOSA-N 440.500 4.016 5 20 IIBD C[C@@H](OC(=O)COc1ccccc1C(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 921180611 LOKSJUYVHUFJOI-CYBMUJFWSA-N 434.876 4.495 5 20 IIBD COc1ccc(OC)c(CC(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 921192333 FCWGIXARIFIIGL-UHFFFAOYSA-N 436.420 4.012 5 20 IIBD O=C(Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])c1ccc2nnc(C(F)F)n2c1 1255442440 RWWGPFHKCUIDSL-UHFFFAOYSA-N 439.378 4.406 5 20 IIBD CC[C@@H](C)n1c(SCC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)nnc1-c1ccccc1 1318739721 HOYGHNDETWJYJR-OAHLLOKOSA-N 437.525 4.459 5 20 IIBD NC(=O)N[C@@H](CC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)c1cccc(Oc2ccccc2)c1 1318795707 RPHIWLKPMPCWSA-QFIPXVFZSA-N 446.463 4.029 5 20 IIBD COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 1318867349 YFJHJBSVUZORGY-HNNXBMFYSA-N 433.302 4.095 5 20 IIBD Cc1noc(C)c1CN1CCN(Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 1319934033 VPLKYSGXHLLNRL-UHFFFAOYSA-N 430.892 4.431 5 20 IIBD Cc1c(C(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)ccc2cncn12 1325205807 JMIQKMYJKXGSJY-UHFFFAOYSA-N 428.408 4.249 5 20 IIBD Cc1nc(CNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)oc1C 1350473768 FWQKQSPBALECDI-UHFFFAOYSA-N 428.832 4.035 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cc(C)n(C)c4)cc3)CCC2)ncc1[N+](=O)[O-] 1788797031 YERGJUPWYXKSFZ-UHFFFAOYSA-N 447.495 4.007 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@H]3CCCS3)CCC2)cc1)c1cc(F)cc([N+](=O)[O-])c1 1790699477 JDPQAGGAPQESDC-LJQANCHMSA-N 443.500 4.377 5 20 IIBD Cc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/C2CCCCC2)cc1[N+](=O)[O-] 1800123220 NAVHIOOYKPGSME-IAMPMHKFSA-N 439.556 4.220 5 20 IIBD Cc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C4CC4)cc2)C3)cc1[N+](=O)[O-] 1800139219 GFNRZGZKMZDLTD-NUNAXRQHSA-N 447.535 4.275 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(F)c1[N+](=O)[O-])c1cc(F)ccc1Cl 1800532003 BOVGYDPZZIYBQO-BTTYYORXSA-N 449.841 4.092 5 20 IIBD Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCc2ccoc2)C3)cc(Cl)cc1[N+](=O)[O-] 1800713229 IHMHZPZITADMHZ-BCDXTJNWSA-N 445.903 4.034 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCC2(CCCN(C(=O)C3CCCCC3)C2)CC1 1808971807 FNHJEBHWWIFGLK-UHFFFAOYSA-N 443.544 4.034 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CC(C)(C)C)CC2 1823694556 REOSORIWSGYLGJ-GFCCVEGCSA-N 448.520 4.161 5 20 IIBD C[C@@H]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1828485186 CBOMUIMEJOJVOA-MMOPVJDHSA-N 445.535 4.403 5 20 IIBD O=C(/C=C/C1CCCCC1)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1ccc(Cl)cc1[N+](=O)[O-] 1847544404 OJIXBKCKFVKUCC-IECUYZFFSA-N 445.947 4.129 5 20 IIBD CC(C)(C)c1ccc(-c2nnc(SCc3cc([N+](=O)[O-])cc4c3OCOC4)n2N)cc1 3531203 GHGRTLPZKUHLEN-UHFFFAOYSA-N 441.513 4.023 5 20 IIBD CNc1ccc(C(=O)OCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1[N+](=O)[O-] 9924517 YVKYYJHMNPAGQR-UHFFFAOYSA-N 435.436 4.011 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCc2ccccc2Cn2cccn2)CC1 10234867 RDBQYVCXNLZZKC-UHFFFAOYSA-N 433.512 4.006 5 20 IIBD C[C@@H](Sc1nncn1CCc1cccs1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 11107218 RERUTAPKHYODBV-GFCCVEGCSA-N 428.499 4.394 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CSc1cc(Cl)ccc1Cl 11465571 UPGSJERASYLXPU-UHFFFAOYSA-N 445.280 4.184 5 20 IIBD CCN(CC)C(=O)CN(C)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 23799554 GZSDIKUVYIIHRY-UHFFFAOYSA-N 435.933 4.340 5 20 IIBD COCc1ccccc1CNc1ccc(C(=O)c2ccccc2C(=O)OC)cc1[N+](=O)[O-] 26718925 UJCKLDFONDQMPY-UHFFFAOYSA-N 434.448 4.371 5 20 IIBD C[C@@H](Nc1cccc(Cn2cccn2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 27013763 NUMUTBSXADKWBV-CYBMUJFWSA-N 433.390 4.298 5 20 IIBD CN(Cc1csc(Br)c1)C(=O)c1cc([N+](=O)[O-])ccc1Br 45626613 WNQOPHPEZCMYLX-UHFFFAOYSA-N 434.109 4.454 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)c1 60063806 WNQUXXDWTAZCIV-UHFFFAOYSA-N 428.448 4.386 5 20 IIBD Cc1cccc(C(=O)N2CCCN(c3cc(C)nc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)c1 60858782 IWQKUPKTRFICMD-UHFFFAOYSA-N 431.496 4.021 5 20 IIBD COc1cc(CNCc2ccc3c(c2)OCCO3)ccc1OCc1ccc([N+](=O)[O-])cc1 61013290 NNSOCMHGYIRCLZ-UHFFFAOYSA-N 436.464 4.243 5 20 IIBD COc1cc(C(=O)N(C)Cc2nccn2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 61072125 SIEOPXXPPOBPJR-UHFFFAOYSA-N 430.848 4.055 5 20 IIBD CC(=O)NCc1ccc(-c2nc(NC(=O)c3cc(C)cc([N+](=O)[O-])c3)sc2C)s1 195691799 KKQQIPBPYPSMSS-UHFFFAOYSA-N 430.511 4.285 5 20 IIBD Cn1ccnc1C(=O)c1ccc(Sc2nnc(-c3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1 301262074 OUYDDQTWOWUKEH-UHFFFAOYSA-N 441.856 4.414 5 20 IIBD CC[C@H](C(=O)N1CCC(Nc2ncc([N+](=O)[O-])cc2Br)CC1)c1ccccc1 301564693 VHOUFURDQQHUQZ-KRWDZBQOSA-N 447.333 4.349 5 20 IIBD CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2c1ncc(Br)cc1[N+](=O)[O-] 302017562 CSKUCLUDVIIFJY-SJPCQFCGSA-N 445.317 4.024 5 20 IIBD CC(C)NC(=O)c1ccc(NCc2cc(Br)cc3c2OCC3)c([N+](=O)[O-])c1 302182862 RKYMRPRPCXKVRB-UHFFFAOYSA-N 434.290 4.043 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCC(O)(Cc2cccc(F)c2)CC1 302249457 MIGAFPYPGOCRQR-UHFFFAOYSA-N 443.353 4.235 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC[C@H]1SCCc2ccccc21 426008973 UTNMJTNRFGNHHI-QGZVFWFLSA-N 425.432 4.443 5 20 IIBD O=C(O)c1ccnc(N2CCC(NCc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)c1 426643248 NRGZPQLXROOEBD-UHFFFAOYSA-N 438.509 4.175 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1CCC[C@@H]1OCc1ccccc1 427562525 IGUVHPCIHQJOGG-RDGATRHJSA-N 426.516 4.409 5 20 IIBD O=C(CSCc1ccc(Br)cc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 427970968 LLZQQVCMIDUOOO-UHFFFAOYSA-N 437.315 4.012 5 20 IIBD CCOc1ccccc1[C@@H](CC)NC(=O)COc1c(Br)cccc1[N+](=O)[O-] 431229584 NTYVGBTXOJLOOF-OAHLLOKOSA-N 437.290 4.402 5 20 IIBD Cn1c(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)nc2cccnc21 431399514 HUFWOADGDUBMBF-UHFFFAOYSA-N 436.859 4.394 5 20 IIBD Cc1cc2c(N3CCC[C@@H]3C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)ncnc2s1 432739665 AHHGPDIOKMEBMY-WMLDXEAASA-N 425.514 4.063 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)C[C@H](O)Cc2ccccc2)c([N+](=O)[O-])c1 433067964 PPEOVDSJTPURCV-ZJSXRUAMSA-N 433.508 4.118 5 20 IIBD COC(=O)C[C@H]1CCCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 435293202 WITRTOPLLSGXPX-OAHLLOKOSA-N 448.859 4.217 5 20 IIBD COc1ccc(OCCN(C)C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1 435822445 QBHXPQOGERMERY-UHFFFAOYSA-N 438.430 4.119 5 20 IIBD CCOCCCNC(=O)c1cccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1 436062231 IXDUUXWRBMEDIO-UHFFFAOYSA-N 443.503 4.090 5 20 IIBD CCN(CC1CCN(c2ccccn2)CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 437815076 PQXOAJVEPQMAPT-UHFFFAOYSA-N 449.458 4.362 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(Oc2c(OC)cccc2OC)CC1 439882709 QHPXHLRRJKURFK-UHFFFAOYSA-N 445.472 4.086 5 20 IIBD O=C(Nc1ccccc1)Nc1ccc(C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)s1 444638437 WCTNFMCAJLULLI-UHFFFAOYSA-N 436.453 4.107 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cccc(CSc4nccn4C)c3)n2)c1 445571836 PAKDCJKXZCUSAJ-UHFFFAOYSA-N 437.481 4.270 5 20 IIBD O=C(NCc1ccc(Cn2cnc3ccccc32)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 445712888 XIHPDFLLDPOTIG-UHFFFAOYSA-N 441.491 4.261 5 20 IIBD COc1cc(Cc2noc(-c3cnc(Cc4ccccc4)s3)n2)c([N+](=O)[O-])c(OC)c1 445817736 GRXZEOSHDRMIMG-UHFFFAOYSA-N 438.465 4.300 5 20 IIBD CCOc1cc(C(=O)N[C@@H]2CCCC[C@@H]2Oc2ccccc2C)c([N+](=O)[O-])cc1OC 448182425 XUXHTBAJBHYYPW-XLIONFOSSA-N 428.485 4.431 5 20 IIBD COc1cc(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c2ccccc2n1 460492376 UKBOYXGAVUFCJB-UHFFFAOYSA-N 435.358 4.023 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C(=O)Nc2ccccc2OC)CC1 462434420 CROOFEYAQUYYKL-SFHVURJKSA-N 439.512 4.049 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 462611586 ATNILJDHEQZRER-JTHBVZDNSA-N 447.539 4.446 5 20 IIBD CO[C@@H](CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1cccc(Cl)c1 466346135 JBAGNDPYQXNTIZ-FQEVSTJZSA-N 433.892 4.189 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 467877772 WJAWIEFLINDJLZ-UHFFFAOYSA-N 443.818 4.435 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(CSC(C)C)c1C 468338488 ITKPTMPUHOLQBB-UHFFFAOYSA-N 438.527 4.132 5 20 IIBD CO[C@@]1(C)CCCN(C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 470697655 UAEUFVSZLMCXKJ-QFIPXVFZSA-N 428.510 4.189 5 20 IIBD C[C@@H]1CN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C[C@H](C2CC2)O1 470907401 SLRAQGMEXBKUCZ-XMDBHEJHSA-N 429.904 4.427 5 20 IIBD COc1ccccc1[C@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])OC(C)C 471574906 QJKYEIUDLTZUOT-XOBRGWDASA-N 436.892 4.307 5 20 IIBD CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cccc([N+](=O)[O-])c1OC 474871073 VYCFPRISRHCBQV-UHFFFAOYSA-N 440.283 4.401 5 20 IIBD Cn1cc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)c(-c2ccc(Cl)s2)n1 476960406 NXGRIDIAWVQEKL-UHFFFAOYSA-N 428.861 4.353 5 20 IIBD O=C(Nc1c(O)c(Cl)cc(Cl)c1Cl)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 477938733 PRMRLLPJRBWLIJ-UHFFFAOYSA-N 428.619 4.094 5 20 IIBD C[C@@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C(F)(F)F 479387770 RWGHRFPYBNJJMS-JTQLQIEISA-N 427.345 4.145 5 20 IIBD CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 479570901 WUOAOVDSPKZYMJ-INIZCTEOSA-N 438.402 4.296 5 20 IIBD Cn1c(SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])nnc1-c1cccc(Cl)c1 479717039 RCGZWLSEYLJVQD-UHFFFAOYSA-N 438.296 4.428 5 20 IIBD COc1cc(C(=O)N2CCOc3cc(Br)c(Cl)cc32)cc([N+](=O)[O-])c1C 479900949 URSWQAJDZSKYAM-UHFFFAOYSA-N 441.665 4.367 5 20 IIBD C[C@@H](NC(=O)N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1cccc([N+](=O)[O-])c1 481064653 XUGBOYYYZJDOEZ-VLIAUNLRSA-N 437.418 4.376 5 20 IIBD CCn1c(SCC(=O)N2CCC[C@H]3CCCC[C@@H]32)nnc1-c1ccc([N+](=O)[O-])cc1 481352028 YKTSILOLNAKHFU-QAPCUYQASA-N 429.546 4.147 5 20 IIBD Cc1cccc(C(=O)N2CCCC2)c1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 481628778 RSLVVLBGXXZIFZ-UHFFFAOYSA-N 430.892 4.157 5 20 IIBD COC(=O)c1cc(OCc2csc(N(C(C)=O)c3ccc(C)cc3)n2)ccc1[N+](=O)[O-] 481898956 LEBHRRZRLIXQTL-UHFFFAOYSA-N 441.465 4.410 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)S(=O)(=O)Cc1nn(-c2ccc(F)cc2)c2c1CCC2 485305328 SWSVUQSMLYHFSY-OAHLLOKOSA-N 443.500 4.393 5 20 IIBD CSc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] 488218800 MTSQQOZHFMXHMD-QGZVFWFLSA-N 431.539 4.087 5 20 IIBD CC(C)CCn1ncc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c1C(C)C 490166081 UHAKCRLHVXGDOV-MRXNPFEDSA-N 447.561 4.266 5 20 IIBD Cc1cccc([C@H](NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C(C)(C)C)c1 490475490 DVRXAIIUQKESCA-NRFANRHFSA-N 438.528 4.158 5 20 IIBD Cc1sc(CCNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)nc1-c1ccccc1 497733252 ARNWHSSMHMVNMG-UHFFFAOYSA-N 443.550 4.084 5 20 IIBD CCOc1cc(NC(=O)NCCc2nc3c(s2)CCCC3)c([N+](=O)[O-])cc1OCC 499217352 GKGCVOXDIAMEFV-UHFFFAOYSA-N 434.518 4.092 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 501215396 YPTLQBPDEMNKSO-AABGKKOBSA-N 429.904 4.005 5 20 IIBD C[C@H]1CN(Cc2ccccc2NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 501416478 FPEAIWBKWOZVCZ-IXDOHACOSA-N 429.542 4.323 5 20 IIBD COc1cc(CNc2cc(F)c(F)cc2NC(C)=O)c([N+](=O)[O-])cc1OCC(F)F 502591649 AZYHYHUNKIZNDJ-UHFFFAOYSA-N 431.342 4.096 5 20 IIBD CSc1ccc(C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1[N+](=O)[O-] 504233385 XMBLGOJJCZGBON-AWEZNQCLSA-N 436.493 4.455 5 20 IIBD O=C(NCCCO[C@@H]1CCCc2ccccc21)C1CCN(c2ccccc2[N+](=O)[O-])CC1 505544884 KDYBDXFMUMIPMD-XMMPIXPASA-N 437.540 4.412 5 20 IIBD O=C(CCCOc1ccccc1)Nc1ccc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 505781810 KKPZSZFLQWAQSP-UHFFFAOYSA-N 449.463 4.028 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCC2(N(C)C)CCCCC2)cc1[N+](=O)[O-])c1ccccn1 506004943 LFYQXRXZPCJDJP-KRWDZBQOSA-N 425.533 4.157 5 20 IIBD COc1cc(CN2CCCN(c3ccccc3)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F 511477688 CJXSPWQXOROAAK-UHFFFAOYSA-N 439.434 4.257 5 20 IIBD CN(Cc1cccc(Cl)c1)C(=O)c1ccc([N+](=O)[O-])cc1I 511589768 BDMZYJMWVSFLJI-UHFFFAOYSA-N 430.629 4.125 5 20 IIBD CNC(=O)c1cc([N+](=O)[O-])ccc1NCC1(c2ccc(Cl)cc2Cl)CCOCC1 511700419 LJVSMDDEVCXYRI-UHFFFAOYSA-N 438.311 4.422 5 20 IIBD Cn1cc(C(=O)N2CC[C@](F)(c3cccc(Cl)c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 512391889 HULXPAPHTMAWNM-OAQYLSRUSA-N 428.851 4.360 5 20 IIBD Cc1cc(Br)cc(C)c1NC(=O)CCCSCc1c([N+](=O)[O-])ncn1C 513446535 GCKNOTDOIUNKLZ-UHFFFAOYSA-N 441.351 4.360 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2CCCc3nc(O)ccc32)cc1 515079640 QGBNPZFVTOBOQG-FQEVSTJZSA-N 435.436 4.304 5 20 IIBD CC(C)CNC(=O)c1ccc(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1Cl 515660496 HXMXEJLJIXLWLU-UHFFFAOYSA-N 429.864 4.296 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 520320371 ZRZSHMCWHHDFCO-SECBINFHSA-N 439.280 4.248 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N(Cc2ccc(Cl)cc2)C2CC2)ccc1[N+](=O)[O-] 522472460 SKBPKVFZADYIHZ-OAQYLSRUSA-N 441.915 4.352 5 20 IIBD C[C@@H]1CN(c2ccccc2NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)O1 522639917 JEENXCMXGBEFNJ-HUUCEWRRSA-N 433.892 4.269 5 20 IIBD CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 524112260 RUAIHDNNWDTAMM-UHFFFAOYSA-N 440.847 4.227 5 20 IIBD O=C(NCc1nncn1-c1ccccc1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 524435552 PLNOEYQXDXZFGO-UHFFFAOYSA-N 431.477 4.257 5 20 IIBD CC(=O)Nc1ccc(NC(=O)COc2c(Cl)cccc2[N+](=O)[O-])c(C(F)(F)F)c1 532362818 JMZDYPHAVCZNFS-UHFFFAOYSA-N 431.754 4.243 5 20 IIBD CN(C)C(=O)Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c(Cl)c1 533256077 OIWAEPSAECOATM-UHFFFAOYSA-N 428.779 4.195 5 20 IIBD CCOc1ccc(NC(=O)CN2CCCC[C@@H]2c2nc3ccccc3n2C)c([N+](=O)[O-])c1 533524788 RDXOTGWZAOMREZ-HXUWFJFHSA-N 437.500 4.046 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)c(Br)c1 534942539 PVSUJFBEFWKADG-UHFFFAOYSA-N 448.298 4.144 5 20 IIBD CCOc1ccc(Cl)cc1CCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 535215139 LEESHKXIRVIMTF-UHFFFAOYSA-N 428.876 4.020 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(C[S@@](=O)Cc3nn(-c4ccccc4)c4c3CCC4)co2)cc1 536736167 BHWMAEVWSNOJFI-JGCGQSQUSA-N 448.504 4.373 5 20 IIBD C[C@H](N[C@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1cccc([N+](=O)[O-])c1 536805938 LHBQILRJORINQE-CVEARBPZSA-N 429.498 4.078 5 20 IIBD COc1ccc(CN2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)CC2)cc1 537145757 VZPCNKGQOSXKNF-UHFFFAOYSA-N 443.569 4.452 5 20 IIBD CN(C(=O)CCc1nc(-c2cccs2)no1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 537151252 YANJWIMKLZZAKG-UHFFFAOYSA-N 441.494 4.425 5 20 IIBD COc1ccc([C@@H](OC)[C@H](C)NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 537885365 CRQHPJPZZQMFQL-DJJJIMSYSA-N 427.482 4.233 5 20 IIBD COc1cc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC(F)F 538244248 JLIBUSJXYXLLFG-CXAGYDPISA-N 442.802 4.118 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)[C@@H]1CCC(=O)C[C@H]1C 538448256 LDQWLIBZBOKWMC-MLGOLLRUSA-N 430.482 4.444 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(-c2ccc[nH]2)cc1 539322217 LDNGPOYCLBNXBP-HXUWFJFHSA-N 438.509 4.080 5 20 IIBD CC(C)Sc1ccc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)cc1 539541485 MHJXJUPTNYPFGU-MRXNPFEDSA-N 429.542 4.423 5 20 IIBD CCOc1cc(Sc2nnc(CN3CCCC3)n2Cc2ccccc2)ccc1[N+](=O)[O-] 539997551 UXANMWVCTYNKOO-UHFFFAOYSA-N 439.541 4.380 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccnc1OCC(F)(F)F 540398674 OJSJELJXQDOBLS-UHFFFAOYSA-N 429.420 4.361 5 20 IIBD O=C(N[C@H](c1ccccc1OC(F)F)C(F)(F)F)c1cc([N+](=O)[O-])cc2c1OCCO2 540924335 MMEJOBHYTQXWEP-OAHLLOKOSA-N 448.300 4.001 5 20 IIBD O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 541263264 IIWDUDUJELHZKU-AWEZNQCLSA-N 433.917 4.218 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 542064039 QQGCSNHSQRRSAS-IBGZPJMESA-N 446.385 4.013 5 20 IIBD CC(C)c1[nH]nc(C(=O)N[C@H](c2ccc(OC(F)(F)F)cc2)C(F)(F)F)c1[N+](=O)[O-] 542066154 VGXUSLHXAYIGJM-CYBMUJFWSA-N 440.300 4.373 5 20 IIBD CCc1ccc([C@@H](NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)c2ccc([N+](=O)[O-])cc2)o1 542494793 PGVYDWFXGWTUKX-DFBJGRDBSA-N 433.508 4.478 5 20 IIBD CN(C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 542559606 FDKNRIDLGRQALW-TZIWHRDSSA-N 438.459 4.127 5 20 IIBD CC(C)c1nnc(CNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)n1C 542739461 ZTYYFLNKNYYTOV-UHFFFAOYSA-N 442.907 4.042 5 20 IIBD Cc1ccc(NCCCNC(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 542747537 OBXVQGKVCQAKPH-SIKLNZKXSA-N 444.507 4.406 5 20 IIBD O=C(NC[C@H]1CCCCS1)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 543212460 LYIHDJQWCLFAMA-CYBMUJFWSA-N 437.568 4.148 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccc(OCCN2CCCC2)cc1 544223549 LHKWPNHZACOCEM-UHFFFAOYSA-N 449.960 4.131 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc(CCCN2C(=O)c3cccc4cccc(c34)C2=O)n1 544762265 AVINKKNKCYSUPU-UHFFFAOYSA-N 442.431 4.335 5 20 IIBD COc1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)c2ccc(C(F)(F)F)cc2)cc1 546123268 HHBUJYFHYHNAKT-GOSISDBHSA-N 446.385 4.119 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(CCc3nnc(C4CCCC4)o3)n2)c(Br)c1 546448504 VHPQSJOSSYWQMJ-UHFFFAOYSA-N 448.277 4.157 5 20 IIBD O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccn(-c2ccc(Br)cc2)n1 551775656 KJLUBYXLZVVTED-UHFFFAOYSA-N 438.241 4.344 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCc3ccncc3OCCN(C)C)c([N+](=O)[O-])c2)cc1 554690446 YISZQKRPSVQWQZ-UHFFFAOYSA-N 449.511 4.103 5 20 IIBD C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C1CCCCC1 555123506 KCXOGAXBAHRGOE-OAHLLOKOSA-N 431.514 4.094 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)N2CCCC[C@H]2c2nc3ccccc3n2C)c1[N+](=O)[O-] 555374254 HCWFLBOBBCELKC-SFHVURJKSA-N 428.514 4.014 5 20 IIBD O=C(CCC1CCCCC1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 555412987 AIXTYSXOUIOVEP-UHFFFAOYSA-N 441.450 4.259 5 20 IIBD COc1cc(OC)cc(C2(F)CCN(c3ncc([N+](=O)[O-])cc3Br)CC2)c1 558785297 DADWUHDVTIHQQJ-UHFFFAOYSA-N 440.269 4.235 5 20 IIBD C[C@H](C(=O)NCc1cc(Br)ccc1OC(F)F)c1cccc([N+](=O)[O-])c1 562397358 VRQXMUHCHRGMHO-JTQLQIEISA-N 429.217 4.379 5 20 IIBD C[C@@H](C(=O)Nc1cc(F)c(Cl)cc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1F 566763703 RQNFFDRWEGGJRG-LLVKDONJSA-N 425.819 4.105 5 20 IIBD C[C@@H](NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(-c2ccncc2)cc1 569207185 ADDRWWQXPXYLQA-QGZVFWFLSA-N 444.491 4.025 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)nn2[C@@H]2CCN(Cc3ccccc3)C2)c1 573024318 BLZCAZCLUVAUAE-LJQANCHMSA-N 449.511 4.198 5 20 IIBD COc1cc(Cc2noc(-c3cc(-c4ccc(F)cc4)on3)n2)c([N+](=O)[O-])c(OC)c1 577337481 BXAGSPHTUOWMSS-UHFFFAOYSA-N 426.360 4.047 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CCCc2c1[nH]c1ccc(Br)cc21 577775289 UZXOJEIEUHLHKE-MRXNPFEDSA-N 444.285 4.411 5 20 IIBD Cn1ccnc1[C@H](N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1cccc([N+](=O)[O-])c1 581206685 AVDBAAIZDNDVLC-MGPUTAFESA-N 429.883 4.079 5 20 IIBD Cc1cc(NCc2ccc(N3CCCS3(=O)=O)cc2)c([N+](=O)[O-])cc1C(F)(F)F 590137820 ZSBIBVCQHADVRR-UHFFFAOYSA-N 429.420 4.074 5 20 IIBD Cc1cc(NC(=O)CCOc2ccccc2[N+](=O)[O-])n(-c2cccc(Br)c2)n1 603959892 SXDLRZXYHCREOV-UHFFFAOYSA-N 445.273 4.259 5 20 IIBD COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1OCc1cn2ccccc2n1 604181385 FGHGMOMQUPPJEJ-UHFFFAOYSA-N 436.399 4.222 5 20 IIBD CCOc1cc(NC(=O)N2CCO[C@H](c3cccc(F)c3)C2)c([N+](=O)[O-])cc1OCC 608994205 WFBQACQOAVJNGX-FQEVSTJZSA-N 433.436 4.137 5 20 IIBD COc1ccc(CC(=O)Nc2ccccc2-c2n[nH]c(-c3ccccc3)n2)cc1[N+](=O)[O-] 609016386 VUQJEZHSVFWMEO-UHFFFAOYSA-N 429.436 4.237 5 20 IIBD C[C@@H]1CO[C@H](c2ccccc2Cl)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 609545800 RTKCUOSOYFTKKJ-BZNIZROVSA-N 431.297 4.052 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(CSC2CCCCC2)c1 609748479 DLLYLQNLGVVSAF-UHFFFAOYSA-N 427.526 4.416 5 20 IIBD O=C(CSCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Nc1ccc(F)cc1Cl 609770695 JLSGTJPWTFGWDB-UHFFFAOYSA-N 439.852 4.057 5 20 IIBD COc1ccc(OCC(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)cc1 609816794 IMFPPRDFDVCDEH-UHFFFAOYSA-N 434.408 4.067 5 20 IIBD C[C@@H]1CN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H](C)O1 610041593 VCAPVLATEGMBJY-CHWSQXEVSA-N 434.290 4.223 5 20 IIBD O=C(Nc1cnn(CC2CC2)c1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 610313231 RJHBOJBRQFXSFK-UHFFFAOYSA-N 437.422 4.075 5 20 IIBD CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 613861632 XDEQJNRFMUQUNW-UHFFFAOYSA-N 436.390 4.170 5 20 IIBD Cc1ccc(C(C)C)c(Oc2ccc(CNCc3nnc4n3CCOC4)cc2[N+](=O)[O-])c1 616488234 QWIPMSWTYFIPLN-UHFFFAOYSA-N 437.500 4.230 5 20 IIBD CCOc1ccc([C@H](C)NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1OCC 725817770 ZOVWFQOMOVLPDB-LBPRGKRZSA-N 428.894 4.085 5 20 IIBD CC(C)(C)C[C@@H](NC(=O)COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])c1ccc(F)cc1 725934354 CRRAICRERQYGCG-QGZVFWFLSA-N 438.402 4.463 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 725935389 OZUUHBOEYXMDFJ-MRVPVSSYSA-N 433.194 4.214 5 20 IIBD C[C@@H](OC(=O)[C@H](OC1CCCC1)c1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 727015362 CQHVMCAULQPAEO-JLTOFOAXSA-N 430.432 4.305 5 20 IIBD COc1ccc(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)cc1[N+](=O)[O-] 727665390 OZSNHCAJQDYBNX-UHFFFAOYSA-N 428.426 4.125 5 20 IIBD CC(C)(C)OC(=O)NCc1cccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 727868351 MGYTZEURANFIDC-UHFFFAOYSA-N 426.473 4.446 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1ccc(I)cc1Cl 727989636 YFOZWOWWWAEPGP-UHFFFAOYSA-N 438.555 4.383 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2ccccc2SC)cc1SC 728651263 RJHGISOWPBINCN-LLVKDONJSA-N 436.511 4.231 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 728932315 XBPLGJWMFPOYGX-HNNXBMFYSA-N 445.520 4.285 5 20 IIBD COc1ccc(CSCC(=O)Oc2ccc(-c3noc(C4CC4)n3)cc2)cc1[N+](=O)[O-] 729221911 YJKMSTKXZOAXEP-UHFFFAOYSA-N 441.465 4.370 5 20 IIBD CC(C)(C)OC(=O)NCc1cccc(OC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 730200311 MUDBXHNUVLFRIU-UHFFFAOYSA-N 441.484 4.439 5 20 IIBD O=C(COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])c1ccc(OCc2ccccc2)cc1 730601775 DNIIMFCHEJKVBZ-UHFFFAOYSA-N 427.359 4.492 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cc1)c1ccccc1 731893425 KHTUYTQZZJCXME-UHFFFAOYSA-N 429.388 4.320 5 20 IIBD O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)OCc1cc([N+](=O)[O-])ccc1Cl 734781783 BFESMZBLUYMWOP-UHFFFAOYSA-N 447.900 4.032 5 20 IIBD COc1ccc2cc(CN(C)C(=O)COC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)ccc2c1 736865637 GTTYCNICULGWOS-UHFFFAOYSA-N 442.855 4.225 5 20 IIBD CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Br 739524627 WNCLYKULWBRQLT-UHFFFAOYSA-N 440.681 4.401 5 20 IIBD O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 741203794 FKDGAXZWOOQABQ-UHFFFAOYSA-N 441.915 4.292 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 741957317 LGQDUJVNQJFVSJ-BBATYDOGSA-N 437.861 4.198 5 20 IIBD O=C(Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)cn1)c1ccccc1 741972216 KOXICOLFCQYQEW-UHFFFAOYSA-N 441.241 4.257 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1F 742028385 IRRLENZTOSUHGB-OAHLLOKOSA-N 449.504 4.166 5 20 IIBD Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 742872139 ARXUXAKSWAPJBC-UHFFFAOYSA-N 440.887 4.426 5 20 IIBD C[C@H](OC(=O)C1(c2ccc(Br)cc2)CCC1)C(=O)Nc1ccccc1[N+](=O)[O-] 744775728 BTAVEJJHVXCGPF-ZDUSSCGKSA-N 447.285 4.349 5 20 IIBD C[C@@H](CC(=O)c1ccccc1F)C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 745486704 KHNIAGQONDHCHI-QWHCGFSZSA-N 427.388 4.297 5 20 IIBD Cn1c(S)nnc1CNC(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34 746219488 UAIYBMHIADWCOE-UHFFFAOYSA-N 428.517 4.281 5 20 IIBD Nc1ccc(C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)cc1[N+](=O)[O-] 746584542 XOGSUQYQOXCUCP-UHFFFAOYSA-N 426.864 4.068 5 20 IIBD COc1ccc(Nc2nc(COC(=O)COc3ccc([N+](=O)[O-])c(F)c3)cs2)cc1 746607177 UOHVGXIMKNJAGG-UHFFFAOYSA-N 433.417 4.065 5 20 IIBD CC[C@H](OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)c1ccc(NC(C)=O)cc1 747122775 AZPVLBPKTCQMLM-KRWDZBQOSA-N 438.358 4.390 5 20 IIBD C[C@@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 747404700 XHRNVMVCFSMJPF-IAGOWNOFSA-N 446.548 4.304 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@H](C)OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 747962375 OCZNLMFXHFSRGP-ZDUSSCGKSA-N 441.465 4.219 5 20 IIBD O=C(O[C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 747962640 RVDHROHLGQXNJY-SFHVURJKSA-N 441.440 4.034 5 20 IIBD Cc1c(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748635705 UELPFQVEVYCHBN-KRWDZBQOSA-N 425.401 4.100 5 20 IIBD C[C@H]1CC[C@H](C)N1CCN1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 748794077 QWUGDRWLZKFEGW-KBPBESRZSA-N 434.890 4.262 5 20 IIBD Cc1ccc(C)c(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])c(Br)cc2F)c1 751691576 UKOZETGBUYNWBA-LLVKDONJSA-N 439.237 4.297 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCCCC[C@@H]1C[C@H](O)c1ccco1 752104242 JXANMNKUDIZDFX-WBVHZDCISA-N 437.290 4.459 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1CCN(CC(C)(C)O)C2 753120314 BRGAZOYHRGGTOX-UHFFFAOYSA-N 443.569 4.478 5 20 IIBD CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br 755020882 JODGZSCKRCHTGA-UHFFFAOYSA-N 442.188 4.244 5 20 IIBD COC(=O)[C@H](C)[C@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 755031112 SLUBHLAFPGPATK-BZNIZROVSA-N 436.262 4.029 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccccc1)C[C@H](O)c1ccsc1 756904866 MCNYXOQUSCYMBC-NRFANRHFSA-N 425.510 4.139 5 20 IIBD C[C@@H](OC(=O)c1cncc(-c2ccccc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 758104042 GDVKHRGLTRXEQE-CYBMUJFWSA-N 425.828 4.494 5 20 IIBD CCOC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Br)c([N+](=O)[O-])c1 759098082 UFHHBNSKQKWHCR-UHFFFAOYSA-N 433.258 4.127 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2C[C@H](C)O[C@@H](c3ccsc3)C2)CC1 759976919 JTWLFOPXHXKHGE-HRAATJIYSA-N 429.542 4.495 5 20 IIBD Cc1nnc([C@H](C)NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 760091161 XVKXMRJVZRUGDJ-JTQLQIEISA-N 445.888 4.151 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@@H](C)Sc3ccccn3)CC2)ccc1[N+](=O)[O-] 762089106 LVOLJPMVCAYKMN-OAHLLOKOSA-N 431.514 4.081 5 20 IIBD Cc1ccc([C@](O)(Cc2noc(CSc3ccc([N+](=O)[O-])cc3)n2)C(F)(F)F)o1 763306541 LHJUCVRNMZLCFU-MRXNPFEDSA-N 429.376 4.164 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@H]2c2ccc(F)cc2)ccc1Br 765167686 PALDXHVZRDESNP-HNNXBMFYSA-N 429.267 4.022 5 20 IIBD CCC(=O)c1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2I)c(F)c1 766549842 KGJFRAHDTIXRMY-UHFFFAOYSA-N 443.168 4.150 5 20 IIBD CCc1nc(N)nc(S[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)n1 767229030 FGXUOASBSBFQOL-MRXNPFEDSA-N 444.904 4.050 5 20 IIBD Cc1cc(S(=O)(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc([N+](=O)[O-])c1F 768265328 CGKUXFYSYMMWJM-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)N2C(=O)CCCNc1ccc([N+](=O)[O-])cc1 769672080 LDIWAOIUAZUKMX-CTXDPNEZSA-N 446.548 4.224 5 20 IIBD C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(N2CCOC2=O)cc1 771766775 VABWSCZVWKZINO-NSHDSACASA-N 438.362 4.453 5 20 IIBD CC(C)([C@@H](OC(=O)C[C@@H]1CSCCS1)c1ccc(Br)cc1)[N+](=O)[O-] 774375377 SZANZYMNYDWQBI-HIFRSBDPSA-N 434.377 4.327 5 20 IIBD C[C@H](OC(=O)c1ccccc1OC(F)(F)F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 775109870 OKZQWOCYONYBOG-VIFPVBQESA-N 432.738 4.331 5 20 IIBD CN(C(=O)[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 775496059 PSFPMVXVCADJRT-HUUCEWRRSA-N 446.529 4.375 5 20 IIBD O=C1CCc2cc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3Cl)c(F)cc2N1 779332201 SXHVXFMNEIVBNC-UHFFFAOYSA-N 442.628 4.287 5 20 IIBD C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 781625793 JTZFGLPVMFSSDW-OAHLLOKOSA-N 440.456 4.089 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)COC(=O)c2cccc([N+](=O)[O-])c2Br)cc1C 781674530 HXEVYSDNDOVBBD-CYBMUJFWSA-N 435.274 4.008 5 20 IIBD Cc1ccc(CC(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Br 782465601 KWANYCICLWFQKK-ZDUSSCGKSA-N 435.274 4.087 5 20 IIBD COc1cc(Br)ccc1CCCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 784448793 WIJNLECSNXHALX-UHFFFAOYSA-N 427.682 4.382 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)OCCO[C@H]2CCCCO2)cc1[N+](=O)[O-] 787562216 GASQZBYPJPWZDD-FQEVSTJZSA-N 445.493 4.248 5 20 IIBD Cc1ccc(O)c(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 790071986 CWUYKYJRKVETCK-UHFFFAOYSA-N 426.816 4.162 5 20 IIBD CCn1c(SCC(=O)Oc2ccc(OC)c([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1 792117213 BIBRASZQVUMWIC-UHFFFAOYSA-N 448.888 4.233 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)Nc1ccc(F)cc1F 792472549 AGGKIDNGDJWWIQ-VIFPVBQESA-N 443.200 4.128 5 20 IIBD Cc1cc(Br)ccc1NC(=O)COC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] 796442793 PJPDADIGGGUPJV-UHFFFAOYSA-N 435.274 4.125 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 801036513 QMRUPYQHLUAOBF-OAQYLSRUSA-N 437.562 4.472 5 20 IIBD C[C@@H](CC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 801149858 FUXGBYKTQWQEQS-HKUYNNGSSA-N 433.549 4.269 5 20 IIBD COc1c([N+](=O)[O-])cc(N[C@@H](C)c2c(F)cncc2F)c([N+](=O)[O-])c1Br 804839397 GZWSDAOJYLABIO-LURJTMIESA-N 433.165 4.120 5 20 IIBD O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1Br 808554986 MIEIEYIABHQPLA-UHFFFAOYSA-N 426.075 4.465 5 20 IIBD Cc1ccc(-c2noc(-c3cc([N+](=O)[O-])ccc3N3CCOCC3)n2)cc1N1CCCC1 809488526 JRKAYVWFMLKJKG-UHFFFAOYSA-N 435.484 4.057 5 20 IIBD CCC[C@@H](NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C1CCCCC1 810361856 OBFJZIBMZDNITK-OAHLLOKOSA-N 426.311 4.161 5 20 IIBD Cc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1-c1nnnn1C1CC1 813165973 ALATXAVXNDCUNC-UHFFFAOYSA-N 433.255 4.451 5 20 IIBD Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)c12 813362556 DSASJBGCDAFQCZ-UHFFFAOYSA-N 435.367 4.285 5 20 IIBD COc1cc(C(=O)N2CCC[C@@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)ccc1[N+](=O)[O-] 814427125 CPHQNASBGQXHKZ-QZTJIDSGSA-N 447.532 4.103 5 20 IIBD CN(C(=O)c1cc(Cl)c(F)cc1Cl)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 815911651 INSMIVGFVMESIZ-UHFFFAOYSA-N 441.651 4.155 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)O[C@H](C)C(=O)N2CCC[C@H]2c2cccs2)c1 915439987 PADWWALERTYIAF-WBVHZDCISA-N 432.498 4.029 5 20 IIBD COC(=O)Nc1cccc(NC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 916689958 MEVCRNZDZKNDDP-UHFFFAOYSA-N 441.366 4.026 5 20 IIBD CN(C(=O)c1ccc2c(c1)-c1ccccc1C2)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 916992297 YCMIROBIXVAGAQ-UHFFFAOYSA-N 442.880 4.280 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NCc2ccc(CN3CCCC[C@H]3C)cc2)c1[N+](=O)[O-] 917067667 RQPQSHSYDWXYOF-OAHLLOKOSA-N 428.489 4.290 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3cc(N4CCCC4=O)ccc3F)cc2[N+](=O)[O-])CC1 917798542 SOQPFJZLJHMHCU-UHFFFAOYSA-N 440.475 4.349 5 20 IIBD COc1ccc([C@H]2CCCCCN2C(=O)COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 918860776 BVGRWYHKHULHBJ-URWPNFCTSA-N 438.480 4.304 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 918921417 NCJQVMDLQBWBQW-OAQYLSRUSA-N 430.460 4.234 5 20 IIBD C[C@H](OC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 919504790 AADKCGNCQFFBQA-BDAKNGLRSA-N 444.246 4.046 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1 920155984 BFMBASAFBLYSTR-UGSOOPFHSA-N 432.860 4.166 5 20 IIBD C[C@@H](OC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)c1ccccc1[N+](=O)[O-] 920268065 MRHUOFZQUAKZKL-TZMCWYRMSA-N 433.258 4.015 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2c(C(C)C)noc2n1 920896944 RWKKCJMKYUPYDF-UHFFFAOYSA-N 432.820 4.012 5 20 IIBD O=C(OCc1ccc(C(=O)N2CCCC2)cc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 1320652132 ZTGVWJODADJIRE-UHFFFAOYSA-N 426.472 4.274 5 20 IIBD CC1=C(C(=O)N(C)C)[C@H](c2cc(Cl)ccc2[N+](=O)[O-])NC(=S)N1c1ccc(F)cc1 1323086303 XILHTLIHDNXTDB-SFHVURJKSA-N 448.907 4.185 5 20 IIBD CCN(CC)C1CCN(Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])CC1 1324716535 MUQQGDURPIXXNP-UHFFFAOYSA-N 427.545 4.489 5 20 IIBD CN(Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O 1324745662 DOJQTNSMWBFRBQ-APWZRJJASA-N 426.922 4.296 5 20 IIBD O=C(Nc1ccc2nc(CN3CCCCC3)[nH]c2c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 1325991538 MIAAOZDVUSDPAS-UHFFFAOYSA-N 434.500 4.284 5 20 IIBD Cc1c(-c2nnc(-c3ccccc3NS(=O)(=O)c3cccs3)o2)cccc1[N+](=O)[O-] 1345706533 NMBFDUHSNMJCPZ-UHFFFAOYSA-N 442.478 4.483 5 20 IIBD CC(C)O[C@H](C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])o3)cc2)CCC1 1786207530 VSBZJJIHLCFKLF-PXUDHTSWSA-N 441.484 4.149 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3cccc(F)c3[N+](=O)[O-])CCC2)cc1)c1ccns1 1787204853 MJDYDVFUBAQESS-UHFFFAOYSA-N 440.456 4.252 5 20 IIBD Cc1ncccc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)CCC2)cc1 1787320275 ATGMFCCRRKTKQF-UHFFFAOYSA-N 446.463 4.065 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C3(NC(=O)C(C)(F)F)CCC3)cc2)c1 1790054620 NTDYJYZZUWMBAM-UHFFFAOYSA-N 446.454 4.064 5 20 IIBD CC(=O)C[C@H](C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])cc2)CCC1 1792317297 LXBBOLKYFDHFEO-YJJOXIQCSA-N 449.507 4.357 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)ccc1F)c1cccc(F)c1[N+](=O)[O-] 1792775251 HZJRQFKAGOCKIT-BTTYYORXSA-N 449.841 4.092 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC2(CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC2)C1 1805782212 MLNGSYPFEBKCJV-IBGZPJMESA-N 429.561 4.195 5 20 IIBD CC(C)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 1814845361 ZQUJGJRQJJOWJI-QGZVFWFLSA-N 447.923 4.252 5 20 IIBD CCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cccc([N+](=O)[O-])c2)n[nH]1 1815538447 JYKLQDZAVYDRSW-IBGZPJMESA-N 441.532 4.379 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])[nH]n1)c1ccsc1 1816357710 NZRRDVIMORRHTE-MRXNPFEDSA-N 443.460 4.138 5 20 IIBD O=C(CSC1CCCC1)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823611120 YGISFSYOXCXFEI-GOSISDBHSA-N 449.573 4.097 5 20 IIBD CC/C=C(\C)C(=O)N[C@H]1CCc2nc(NC(=O)c3c(F)ccc([N+](=O)[O-])c3C)sc2C1 1823698996 GQTJSLJCASLPNX-KKNAONHISA-N 446.504 4.081 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1ncnc2sc3c(c12)CCC3 3471094 LUGTVCLPNBIYLL-JTQLQIEISA-N 430.511 4.216 5 20 IIBD O=C(Nc1ccccc1O)C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 16112193 BIPNCJVRYQFKCP-UHFFFAOYSA-N 425.466 4.006 5 20 IIBD CCn1c(SCC(=O)Nc2ccc(OC)cc2OC)nc2cc3ccccc3cc2c1=O 22178047 PRMPLYSBVJNACG-UHFFFAOYSA-N 449.532 4.318 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3cccnc3-n3cccn3)cc2[N+](=O)[O-])n1 25009785 UWEXXCBCFVPQQL-UHFFFAOYSA-N 438.494 4.344 5 20 IIBD COc1cc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(C)cc3)s2)cc([N+](=O)[O-])c1O 26228814 OCNQZHLPWJAODE-QPEQYQDCSA-N 446.872 4.458 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(Cc1cccc(Br)c1)C1CC1 26836936 HDZYZRTWMBHTJF-UHFFFAOYSA-N 425.304 4.019 5 20 IIBD COc1ccc(C(=O)O[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)c(O)c1 28611103 ZIATURVMJUPARN-NRFANRHFSA-N 436.420 4.154 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2cccnc2Oc2cccc(F)c2)c1 60401674 KCGANLJUXYRGLH-UHFFFAOYSA-N 425.416 4.315 5 20 IIBD CS(=O)(=O)c1cc(C(=O)N2CC=C(c3cccc4ccccc34)CC2)cc([N+](=O)[O-])c1 63692522 LFWLBMNRZGUHRW-UHFFFAOYSA-N 436.489 4.081 5 20 IIBD COc1ccccc1NC(=O)C1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 97286538 LRVGFOIAHYLKAG-UHFFFAOYSA-N 434.290 4.221 5 20 IIBD Cc1ccc(-c2nnco2)cc1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 108611701 ZHTNGPGFXXUSSK-UHFFFAOYSA-N 435.362 4.413 5 20 IIBD Cc1cc(C)n(-c2ccc(CNc3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])cn2)n1 301085520 IYTQUMOXOVPIHT-UHFFFAOYSA-N 436.350 4.331 5 20 IIBD C[C@@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])c1cccc(N2CCCC2)c1 301574988 QAQQTHMNQXNLEZ-CYBMUJFWSA-N 425.457 4.364 5 20 IIBD O=C(NCc1ccccc1Sc1ccccc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 303326543 SEXMXYHVDZTJFZ-UHFFFAOYSA-N 431.477 4.257 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccccc1NC(=O)Cc1cccs1 409991029 FGFFCBNSUDTCIA-UHFFFAOYSA-N 425.466 4.245 5 20 IIBD O=C(O)c1ccnc(N2CCC(NCc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)CC2)c1 426631013 MKPWFODVHNFYHM-UHFFFAOYSA-N 438.509 4.175 5 20 IIBD O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CCC[C@](CO)(Cc2ccccc2)C1 428557605 JCGCSHLNDUJZHY-VWLOTQADSA-N 431.492 4.114 5 20 IIBD COc1ccc(CNC(=O)Nc2ccnn2Cc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] 429529336 REOZWHFEBYMCFE-UHFFFAOYSA-N 449.389 4.189 5 20 IIBD Cc1cc(C)n(-c2ccc(CCNC(=O)c3ccc(Br)cc3[N+](=O)[O-])cc2)n1 429938292 BVUBUYSKIBPGNU-UHFFFAOYSA-N 443.301 4.132 5 20 IIBD CCOc1cc(C(=O)Nc2cc(-c3nc(CC)no3)ccc2C)c([N+](=O)[O-])cc1OC 430443362 UPFJJPJPFPSQDY-UHFFFAOYSA-N 426.429 4.175 5 20 IIBD COCCOc1ncccc1C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435444949 BPDPPAHSJZNLNB-UHFFFAOYSA-N 431.495 4.480 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 437483285 GHLMAPMDAYSHES-UHFFFAOYSA-N 438.267 4.040 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(CCO)Cc1cc(Br)ccc1F 443944320 DQAFGGRZMMDIEY-UHFFFAOYSA-N 440.269 4.140 5 20 IIBD CCc1[nH]nc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2C(=O)OC)c1[N+](=O)[O-] 444289567 HMENCBBVKHCBLE-UHFFFAOYSA-N 444.831 4.365 5 20 IIBD O=C(Nc1ccccc1Nc1ccccc1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 444346930 ZAUYIQCWKOJQSD-UHFFFAOYSA-N 430.420 4.244 5 20 IIBD C[C@@H](NC(=O)Cc1noc(CCc2cccc([N+](=O)[O-])c2)n1)c1ccc(Cl)cc1Cl 445749709 MWHCPCWZRAEXMB-GFCCVEGCSA-N 449.294 4.490 5 20 IIBD COc1nc(C)c(Br)cc1-c1noc(-c2ccc(Cl)cc2[N+](=O)[O-])n1 446006890 HWSAADCKNWQMIQ-UHFFFAOYSA-N 425.626 4.440 5 20 IIBD CCCOc1cn(-c2ccccc2)nc1C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 460368244 YOTDCCJZMJOPGY-QFIPXVFZSA-N 438.509 4.457 5 20 IIBD Cn1c(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc2cc(C(F)(F)F)ccc21 463341782 YEGFHMCXZQTUSQ-UHFFFAOYSA-N 432.402 4.068 5 20 IIBD CN(CCC1CCOCC1)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 466867870 YSIGIARGQOINNO-UHFFFAOYSA-N 443.466 4.105 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(Cc3ccc(F)c(F)c3)CC2)c2ncccc12 469395154 IIMXMTAAYOIWSA-UHFFFAOYSA-N 447.463 4.065 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cccc(C)c3F)cc2)cc1[N+](=O)[O-] 471174313 ZJSRWVLXWARZOH-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD Cc1ccc(Sc2ccc(CN[C@H](C)CCN3CCN(C)CC3)cc2[N+](=O)[O-])cc1 472160878 VBBZRQSQLCOCQD-LJQANCHMSA-N 428.602 4.170 5 20 IIBD O=C(NCCSCc1ccc(Cl)cc1Cl)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 472715625 QJVACLWFWYPWAH-UHFFFAOYSA-N 446.287 4.029 5 20 IIBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H](c1ccc(F)cc1)c1ccccc1Cl 473792814 QAOWREOUWJCXRP-OAQYLSRUSA-N 441.846 4.023 5 20 IIBD COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)c1 475321005 YHKULTOBANMRPW-UHFFFAOYSA-N 429.436 4.412 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H](CO)Cc1ccccc1OC(F)(F)F 475547155 JBLQGZCFWONDNM-AWEZNQCLSA-N 441.406 4.083 5 20 IIBD CC(=O)N1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1 477318839 HVFZADCUMNYLKM-HNNXBMFYSA-N 447.944 4.388 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 479622775 NNKKSZSUOWFQPD-LBPRGKRZSA-N 439.438 4.062 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(CSC3CCOCC3)c2)c1C 481563800 BKKWLSFVRVNUAZ-UHFFFAOYSA-N 436.555 4.425 5 20 IIBD CCOc1ccc(-n2c(Sc3ncc(C)cc3[N+](=O)[O-])nnc2-c2ccccn2)cc1 481818676 OGKQAIYXJMUIGW-UHFFFAOYSA-N 434.481 4.491 5 20 IIBD Cc1ccc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1NC(=O)NC(C)(C)C 482879469 IIVSZHYQAGTPNX-UHFFFAOYSA-N 432.908 4.449 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(N2CCc3ccccc3C2)CC1 483115158 DYDBAJAZQHQFGP-UHFFFAOYSA-N 425.554 4.370 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)Nc1cc(Cl)ccc1-c1ccc(C)o1 483692234 WKWHOMYODZPJPV-UHFFFAOYSA-N 443.843 4.080 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(CN3CCC(C)CC3)cc2)cc1SC 484859841 ASVWPVGAATYPJR-UHFFFAOYSA-N 443.569 4.487 5 20 IIBD Cc1ccc(Br)cc1-c1nnc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)s1 486021561 VMKZKCHIIGBVHI-UHFFFAOYSA-N 449.334 4.222 5 20 IIBD COc1ccc(NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)cc1Br 486171955 IESHUEITSUFSJZ-UHFFFAOYSA-N 441.303 4.246 5 20 IIBD O=C(NCCC(=O)N1CCCCCC1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 486208864 YJBXOBGUHUGLNH-UHFFFAOYSA-N 427.526 4.269 5 20 IIBD CC[C@@H](C(=O)N1CCC(NC(=O)c2cccc(SC)c2[N+](=O)[O-])CC1)c1ccccc1 486490734 ULKMVSNQQOXCGP-GOSISDBHSA-N 441.553 4.231 5 20 IIBD CS(=O)(=O)c1cccc(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 486860181 UKHMXLXJQNQYSR-UHFFFAOYSA-N 428.491 4.402 5 20 IIBD Cc1cc2c(Br)ccc(C(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)c2o1 487013543 KUAFIWNDUXJRDV-UHFFFAOYSA-N 433.262 4.086 5 20 IIBD O=C(Nc1c(N2CCCC2)cccc1N1CCCC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 487034875 ARJFZOPTEVHVTN-UHFFFAOYSA-N 446.511 4.233 5 20 IIBD CCc1ccc(-c2noc([C@@H](C)NC(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 487793621 BZDSZSAENRWJCC-CYBMUJFWSA-N 443.891 4.464 5 20 IIBD Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 488252515 PUXILWJFJIURSQ-KBPBESRZSA-N 435.484 4.150 5 20 IIBD C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 489030215 WLSRJXKBBWRQQX-KRWDZBQOSA-N 435.484 4.248 5 20 IIBD CC[C@H](Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC)C(=O)NCc1ccccc1 489451469 YZIZSWTVSPFRQO-SFHVURJKSA-N 425.514 4.060 5 20 IIBD Cc1ccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1S(=O)(=O)C1CCCC1 491330408 SUXCHIQONHEZGM-UHFFFAOYSA-N 427.482 4.353 5 20 IIBD CS(=O)(=O)c1cccc([C@@H](NCc2ccccc2[N+](=O)[O-])c2ccc(F)c(F)c2)c1 493231987 RXNXHQANMPTKBH-OAQYLSRUSA-N 432.448 4.156 5 20 IIBD COc1ccc(C2(CNC(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)CCCCC2)cc1 495142757 YJSSFPURGXOVSD-UHFFFAOYSA-N 441.532 4.049 5 20 IIBD CC(C)n1c([C@@H]2CCCN(c3cccc(S(C)(=O)=O)c3[N+](=O)[O-])C2)nc2ccccc21 497551402 HCSVVZLMMQNSFF-MRXNPFEDSA-N 442.541 4.313 5 20 IIBD CC1(C)CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)C[C@H](c2cccc(C(F)(F)F)c2)O1 497841381 QOMUXZBWZAPAMX-QGZVFWFLSA-N 448.401 4.482 5 20 IIBD CN(C)C(=O)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1 499990371 WSPYZAXORFDTEH-UHFFFAOYSA-N 432.480 4.090 5 20 IIBD Cc1ccc(-c2csc(NC(=O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2)s1 500240176 VLYAUEONPISDON-UHFFFAOYSA-N 444.538 4.464 5 20 IIBD O=[N+]([O-])c1cc2c(c(C[S@](=O)Cc3csc(-c4ccc(F)cc4)n3)c1)OCOC2 501310537 YFKQKAQIAULQQT-LJAQVGFWSA-N 434.470 4.173 5 20 IIBD O=c1c([N+](=O)[O-])cc(Br)cn1Cc1ccc(OCc2ccc(F)cc2)cc1 502134043 VSGOCTDIVJDPLN-UHFFFAOYSA-N 433.233 4.285 5 20 IIBD COC(=O)c1cc(NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c(C)cc1Br 506205355 RXFCJEOBFCEPIN-UHFFFAOYSA-N 447.245 4.114 5 20 IIBD Cc1cc(I)cc(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 506219216 KZLFNWCFERJFPL-UHFFFAOYSA-N 436.209 4.170 5 20 IIBD CC(C)Cc1nnc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)s1 507266301 UITZOCXPOYPZOV-CYBMUJFWSA-N 426.502 4.465 5 20 IIBD O=C(c1cnc(OC2CCCCC2)c(Cl)c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 508486247 CEOXCPDRMNKAEU-UHFFFAOYSA-N 433.896 4.029 5 20 IIBD CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc(I)c1C)c1nc(C)cs1 509523604 CAYJGDZJEGZTBX-ZDUSSCGKSA-N 445.282 4.154 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1CNCC1(c2cc(Cl)ccc2OC)CCOCC1 509620169 PXSOCJDPRMCYHD-UHFFFAOYSA-N 434.920 4.494 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 510068682 FMUWGURIYLIFQZ-INIZCTEOSA-N 439.493 4.195 5 20 IIBD COc1ccc(CN2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)cc1[N+](=O)[O-] 513382372 XBRYJKVIUDJYSS-UHFFFAOYSA-N 442.516 4.184 5 20 IIBD O=C(Nc1ccc(OCC(F)(F)F)nc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 514574895 GNFOHKLZEQOLHL-UHFFFAOYSA-N 439.268 4.124 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)cc3cccnc23)cc1OC 514994762 IJPOSZIWZPWLOB-UHFFFAOYSA-N 431.832 4.083 5 20 IIBD CN(C)CCCOc1cccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 517649318 FIRUKSJKNHZOLO-UHFFFAOYSA-N 429.520 4.124 5 20 IIBD O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 517804951 SCUMQCKNCZVHCS-LLVKDONJSA-N 438.271 4.179 5 20 IIBD CCCOc1cc(NC(=O)N2CCC(c3nc(C)no3)CC2)c([N+](=O)[O-])cc1OCCC 517895889 GPKRHGDGYFNFGR-UHFFFAOYSA-N 447.492 4.275 5 20 IIBD COc1cc(CN(C)C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])ccc1OC(F)F 518831722 VGPRUIHYCOBOIP-NSHDSACASA-N 444.818 4.284 5 20 IIBD Cc1cc(F)ccc1C1CCN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1 519013000 ILGUUMQJJSRPRP-UHFFFAOYSA-N 441.459 4.137 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)c1C 520199673 FAIAYDKEXWIKOU-UHFFFAOYSA-N 438.868 4.050 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)c1C 524018681 MLCCOOGLMMQLGG-UHFFFAOYSA-N 442.375 4.081 5 20 IIBD CCOC(=O)c1c(CC(C)C)csc1NC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 525014680 OBDUCSTWMVPMSO-UHFFFAOYSA-N 436.486 4.301 5 20 IIBD CNC(=O)c1cccc(CCNC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)c1 525382849 GYORYSRLIHKRPW-UHFFFAOYSA-N 429.542 4.065 5 20 IIBD CCO[C@H](C)c1nc(CN2CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)cs1 530856135 XBDHUMMPVIJWEE-CYBMUJFWSA-N 444.479 4.490 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCC[C@H]1c1nc2ccccc2n1C 533387501 IVKKDXSXRWZVJU-FQEVSTJZSA-N 437.500 4.046 5 20 IIBD CCOc1cc(NC(=O)N[C@@H](C)c2ccc([S@](C)=O)cc2)c([N+](=O)[O-])cc1OCC 533742811 INMIIHPXTGXLPV-FZPQWHJUSA-N 435.502 4.012 5 20 IIBD CC[C@H](NC(=O)c1ccc(SC)c([N+](=O)[O-])c1)[C@@H](c1ccc(C)cc1)n1cncn1 533756951 QCCFCPGVAMMVCH-FXAWDEMLSA-N 425.514 4.015 5 20 IIBD CCOC(=O)c1sc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])nc1C(C)C 533873516 HBHPLAYMOQBANM-UHFFFAOYSA-N 442.291 4.366 5 20 IIBD CC(C)C[C@@H](C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1)N1CCCCC1=O 537148522 GCJWJVAHMDHCMD-SFHVURJKSA-N 430.530 4.108 5 20 IIBD CCC[C@@H](NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 537918214 FMJFUZTTZKJGHZ-JOCHJYFZSA-N 431.558 4.400 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(Cc3cnc4ccc(Br)cn34)CC2)cc1 539835903 MWPJDWZQTPNPMF-UHFFFAOYSA-N 431.290 4.048 5 20 IIBD Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])o1 543119309 ULVOJPDVHUUAEY-QGZVFWFLSA-N 444.900 4.358 5 20 IIBD CCn1cc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)c(=O)c2cc(Cl)ccc21 543617289 VUAZEQMURBRIQU-UHFFFAOYSA-N 437.843 4.225 5 20 IIBD Cc1cc(-c2noc([C@@H](C)NCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)n2)ccc1F 544519234 TZTCMAPCOUTYTK-LLVKDONJSA-N 433.827 4.035 5 20 IIBD C[C@@H]1CCc2c(sc3nc(CCc4nc(-c5ccc([N+](=O)[O-])cc5)no4)nc(O)c23)C1 545552358 YJROUWQBRMIZPI-LLVKDONJSA-N 437.481 4.265 5 20 IIBD O=C1CCCN1c1cccc(-c2noc(Cn3c4ccccc4c(=O)c4ccccc43)n2)c1 545575357 ONCJQZXUHUHSRV-UHFFFAOYSA-N 436.471 4.380 5 20 IIBD CC[C@@H](C)Oc1ccc(-c2noc(-c3nn(-c4ccccc4[N+](=O)[O-])c(C)cc3=O)n2)cc1 546455851 BRQHGQCEKPRKMH-OAHLLOKOSA-N 447.451 4.343 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Oc2cccc(Br)c2)CC1 546814403 ONNJNIXCBVBVLC-UHFFFAOYSA-N 435.274 4.050 5 20 IIBD Cc1cc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)nn1-c1ccc(Cl)cc1Cl 547200598 NTRLKWYZMCAIKJ-UHFFFAOYSA-N 431.239 4.432 5 20 IIBD O=[N+]([O-])c1cc(F)ccc1/C=C\c1nc(Cc2ccn(-c3c(F)cccc3F)n2)no1 547254626 RLTRZIIJWGXXOR-ALCCZGGFSA-N 427.342 4.342 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1nc(C2CCCCC2)no1 551430620 HBCUEQWEPAWBIQ-ZDUSSCGKSA-N 443.504 4.139 5 20 IIBD CS(=O)(=O)c1ccc(N[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)c([N+](=O)[O-])c1 553261264 UVXFZJKUIJMKGC-QGZVFWFLSA-N 430.404 4.460 5 20 IIBD O=C(NCc1cccc(OCc2ccccc2)c1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 557902638 XEENDGCTOSJVLN-UHFFFAOYSA-N 429.432 4.358 5 20 IIBD Cc1c(C(=O)N(C)[C@@H](C)Cc2ccccc2C(F)(F)F)nnn1-c1cccc([N+](=O)[O-])c1 558018400 CKYPDMRIFUYLTB-ZDUSSCGKSA-N 447.417 4.206 5 20 IIBD O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1)CC3 558523434 HEWLXQDYVWYBES-XYOKQWHBSA-N 446.444 4.071 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCN(C(=O)[C@H](CC)c2ccccc2)CC1 563785591 BEBSGGKFQMWBEV-OAQYLSRUSA-N 438.528 4.464 5 20 IIBD O=[N+]([O-])c1ccc2nc(N3CCCN(c4ccc(Cl)c(Cl)c4)CC3)nc(O)c2c1 569253588 VHWIJRZNCHOZFW-UHFFFAOYSA-N 434.283 4.267 5 20 IIBD Cc1cc(Cl)cc2cc(-c3noc(-c4ccc(S(C)(=O)=O)c([N+](=O)[O-])c4)n3)oc12 580009346 BZEKVEQVXNHHEP-UHFFFAOYSA-N 433.829 4.423 5 20 IIBD COc1ccncc1CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 582777393 KCQZJFYQAQKASL-UHFFFAOYSA-N 443.843 4.383 5 20 IIBD COc1cccc(NC(=O)COc2ccc(C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)cc2)c1 603966508 CIBHXMCMRCDYBE-MRXNPFEDSA-N 449.463 4.112 5 20 IIBD COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 604183918 GJUOSQVGHNFSNL-UHFFFAOYSA-N 442.475 4.315 5 20 IIBD Cc1ccc(NC(=O)c2ccc(Nc3ccc(CS(C)(=O)=O)cc3)c([N+](=O)[O-])c2)cc1 608973975 RORVLMIMKFLUBR-UHFFFAOYSA-N 439.493 4.444 5 20 IIBD O=C(Nc1nnc(-c2cccc(Cl)c2)s1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 609022015 ULAKLLZSPJRDTF-UHFFFAOYSA-N 426.845 4.205 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)cc1 609198392 MHAQQHJRIMTWPD-SFHVURJKSA-N 447.513 4.354 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N1CCCc2sccc2C1 609333800 QSKPRBDQIWAYSC-UHFFFAOYSA-N 429.523 4.410 5 20 IIBD O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N(CCc1ccccc1)Cc1ccccc1 609443442 GYJHTYJTAFQLFR-UHFFFAOYSA-N 427.464 4.061 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N(CCO)CCc3ccccc3)cc2[N+](=O)[O-])n1 609578475 AHDCELNSVNVYOG-UHFFFAOYSA-N 443.550 4.188 5 20 IIBD COc1ccc(CSCC(=O)N2CCC[C@@H]2c2cccc(N(C)C)c2)cc1[N+](=O)[O-] 609794631 XLIADDIQJUQZII-LJQANCHMSA-N 429.542 4.266 5 20 IIBD CCOc1ccc([C@@H]2CCCN2C(=O)COc2ccc(Br)cc2[N+](=O)[O-])cc1 610219208 NCZNKSCMDMMXCM-KRWDZBQOSA-N 449.301 4.499 5 20 IIBD COc1ccccc1-c1ccc([C@H](C)N(C)S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 610266090 POPWCWLCXZJSQG-HNNXBMFYSA-N 427.482 4.047 5 20 IIBD CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 612997989 SLHNCVVYVXLNKP-NRFANRHFSA-N 433.524 4.041 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)cc1[N+](=O)[O-] 619567475 UFZILYDKPYCRQH-UHFFFAOYSA-N 433.389 4.212 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1I)c1ccc(F)cc1F 726027326 QAPNGWBPWAXWEC-MRVPVSSYSA-N 433.148 4.396 5 20 IIBD Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C1 726547207 XEBVHRLUMMZIQC-OAHLLOKOSA-N 446.891 4.338 5 20 IIBD Cc1ccsc1-c1nnc(NC(=O)COC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)o1 727504524 CJJGENRNEHKWRU-UHFFFAOYSA-N 444.469 4.108 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cc1SC 728456414 LJCCMNCOGPDYAF-UHFFFAOYSA-N 435.527 4.007 5 20 IIBD COc1ccc(OC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)c([N+](=O)[O-])c1 730470030 XBKSRZRYMACVOJ-UHFFFAOYSA-N 442.737 4.076 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)c2ccccc2SCc2cccs2)ccc1[N+](=O)[O-] 734735728 DTVUGRDAPZVXMF-UHFFFAOYSA-N 448.547 4.376 5 20 IIBD COc1ccc(-c2cc(COC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])on2)cc1 735149843 WQHPLPFPYPBDGK-UHFFFAOYSA-N 432.816 4.424 5 20 IIBD O=C(Cc1ccc(-c2ccccc2)cc1)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 735333547 IMYOJIFNSPWNHE-UHFFFAOYSA-N 432.432 4.346 5 20 IIBD C[C@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@H]1NC(=O)OC(C)(C)C 740828881 HKRQEZWKQNAIBR-XJKSGUPXSA-N 446.529 4.094 5 20 IIBD C[C@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 745335497 QPFMKXYUHDVWEA-NSHDSACASA-N 447.419 4.109 5 20 IIBD Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 747635710 YHIGGJWUHBPQNP-GHTZIAJQSA-N 434.521 4.475 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1F 747962322 MQAOMVLPBUPPBK-GFCCVEGCSA-N 429.429 4.350 5 20 IIBD COc1cc(Br)ccc1C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 748931044 WDYSIYXXCLUQNV-SNVBAGLBSA-N 448.229 4.334 5 20 IIBD CC(=O)c1ccc(OS(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)c([N+](=O)[O-])c1 749948430 KIZCWYNDXUAUPK-UHFFFAOYSA-N 438.870 4.342 5 20 IIBD CCC(=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2I)cc1 751043029 HNBUCYPEGQJENP-UHFFFAOYSA-N 425.178 4.011 5 20 IIBD CC(C)(C)OC(=O)N(CC1CC1)C1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 751051751 VLUSNBYDFRUTOG-UHFFFAOYSA-N 442.516 4.328 5 20 IIBD COc1ccc(Cl)cc1NC(=O)COC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 751635942 QUXTUWMEQGAGHC-UHFFFAOYSA-N 445.280 4.184 5 20 IIBD C[C@@H](OC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])c1ncc(-c2ccc(Cl)cc2)o1 751716676 XYOXLXPZSOXUOU-GFCCVEGCSA-N 430.800 4.399 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)NCc2cccc(OCc3ccccn3)c2)cc1[N+](=O)[O-] 752235546 SQMQAUSCLBHVEP-UHFFFAOYSA-N 447.900 4.009 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]21 752387564 GYYRXGQRUMCVAU-XNRPHZJLSA-N 438.912 4.405 5 20 IIBD CC(C)c1ccc(CN(C(=O)COC(=O)c2c(F)ccc([N+](=O)[O-])c2F)C2CC2)cc1 752561195 FHSRODDQJWKJMM-UHFFFAOYSA-N 432.423 4.344 5 20 IIBD CC(=O)Nc1ccc(C(=O)O[C@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])cc1 753945102 JWQSHQJNPCSXFZ-QGZVFWFLSA-N 435.274 4.361 5 20 IIBD CC(C)[C@H](CCN(C)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)NC(=O)OC(C)(C)C 754418533 ZZPBDYKIFVADTR-KSSFIOAISA-N 425.501 4.235 5 20 IIBD O=C(NC1CCN(CC2CCCCC2)CC1)c1cc(F)cc([N+](=O)[O-])c1Br 754988536 NZSJKZAOBPOFSI-UHFFFAOYSA-N 442.329 4.271 5 20 IIBD C[C@H](OC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccccc1C(F)(F)F 755064881 BEUMHUNYXUMXMT-QWRGUYRKSA-N 428.338 4.427 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1 755681164 TXSSYPGHSSEMEX-INIZCTEOSA-N 434.448 4.055 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCc2noc(-c3cccc(Cl)c3)n2)cc1SC 756401096 CGTUNWKYGYEWFU-UHFFFAOYSA-N 435.845 4.386 5 20 IIBD Cc1nc(CC(C)C)c(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)s1 756545045 LTLZOVXXTJZIAZ-JTQLQIEISA-N 425.894 4.396 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 761890930 DDOHXKIIULOWAW-MRXNPFEDSA-N 436.877 4.085 5 20 IIBD Cc1nn(Cc2ccc(C(=O)O[C@H](C)c3nc(-c4ccccc4)no3)cc2)c(C)c1[N+](=O)[O-] 762192502 DBAJJFGGTHUJSR-MRXNPFEDSA-N 447.451 4.424 5 20 IIBD O=C(NC[C@@H](c1ccccc1)N1CCc2sccc2C1)c1cc(F)c([N+](=O)[O-])cc1F 763406067 KBRSMNKJGPSWER-FQEVSTJZSA-N 443.475 4.464 5 20 IIBD COC(=O)Nc1cc(C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)cc(C(F)(F)F)c1 764101224 XNVILIFHKIQAKD-UHFFFAOYSA-N 439.302 4.290 5 20 IIBD CN(C)c1ccc(-n2ccnc2SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 765632035 QFWRTMJXXLDXOV-UHFFFAOYSA-N 431.905 4.231 5 20 IIBD Cc1ccc(C(=O)N(C)c2ccc(OS(=O)(=O)c3csc([N+](=O)[O-])c3)cc2)cc1 768797204 ZIIOAQODBNAPAN-UHFFFAOYSA-N 432.479 4.009 5 20 IIBD C[C@@H](OC(=O)c1ccc(Br)c(Cl)c1F)C(=O)Nc1ccccc1[N+](=O)[O-] 769524227 AABZQBJIDQSMAS-MRVPVSSYSA-N 445.628 4.334 5 20 IIBD Cc1cc(O)nc(-c2cccc(OC(=O)c3cc(Br)cc([N+](=O)[O-])c3)c2)n1 770583548 ZLLRZZOQLDWGJF-UHFFFAOYSA-N 430.214 4.048 5 20 IIBD COc1ccc(C(C)(C)c2noc([C@@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)n2)cc1OC 771666816 SDPCLCUWRXOHMB-IBGZPJMESA-N 438.440 4.187 5 20 IIBD COc1cccc(-c2nc(C)c(C(=O)O[C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)[nH]2)c1 772094030 HATJJYIHTUOMTP-ZDUSSCGKSA-N 449.423 4.270 5 20 IIBD CCCCn1ncc(C(=O)OC2CCN(c3ccc([N+](=O)[O-])c(OCC)c3)CC2)c1C 772655402 XZQDRCYXFGFXMK-UHFFFAOYSA-N 430.505 4.124 5 20 IIBD CC(C)(CC(=O)OCc1ccc(Br)c([N+](=O)[O-])c1)NC(=O)OC(C)(C)C 773426148 QSQTYLVVSRFZCL-UHFFFAOYSA-N 431.283 4.094 5 20 IIBD CC(C)(CCN1CCCCCC1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 775445088 KIEKWTCEWWREHM-UHFFFAOYSA-N 430.318 4.271 5 20 IIBD CC[C@H](C(=O)OC1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1)c1ccc(OC)cc1 776089421 CIMKMIHYHCBTGO-FQEVSTJZSA-N 428.485 4.318 5 20 IIBD O=C(Nc1cccc2c1CCCN2C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 776588369 TUFVSJHPBVZIRH-HSZRJFAPSA-N 435.455 4.472 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)C[C@@H](C)C(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 777215465 JIZNJCDVMCNXKA-OCCSQVGLSA-N 432.860 4.336 5 20 IIBD COc1cc(CN2CCC[C@@H]2C[C@@H](O)c2cccs2)c([N+](=O)[O-])cc1OCC(F)F 779027929 DYPFTPLXEMKQJO-GDBMZVCRSA-N 442.484 4.397 5 20 IIBD CCO[C@@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)OCc2cccc([N+](=O)[O-])c2C)C1(C)C 781429492 REXLGQDXOJZAKV-VGSWGCGISA-N 436.505 4.045 5 20 IIBD O=C(OCc1nc(-c2cccc(Cl)c2)no1)c1cccc([N+](=O)[O-])c1Br 781675632 VXIMUKBJGLTKAQ-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1Br)C(=O)Nc1cccc2ncccc12 781676650 VLTWLWITDOLEIY-LLVKDONJSA-N 444.241 4.090 5 20 IIBD CCc1nnc([C@@H](C)OC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)o1 782463643 QYUANWQIYGMDEE-LLVKDONJSA-N 444.831 4.364 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 784108073 XEVKDMRVMLIBMI-FQEVSTJZSA-N 425.422 4.323 5 20 IIBD Cc1ccc(C)c([C@@H](C)N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2Br)c1 784691592 AAAAMBKULYIXDJ-CQSZACIVSA-N 448.317 4.441 5 20 IIBD CCOc1ccc([C@@H]2CCCN2C(=O)COC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 785953838 NESGZTHOZYNVJV-FQEVSTJZSA-N 446.887 4.096 5 20 IIBD CCC[C@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 788585916 XOGPFRVVFPRIOK-KKSFZXQISA-N 425.533 4.235 5 20 IIBD Cc1c(CC(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)cccc1[N+](=O)[O-] 794806739 FLTNGURHVDFOND-UHFFFAOYSA-N 441.484 4.214 5 20 IIBD Cc1nn(-c2ccccn2)c(Cl)c1CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 796359541 LTASKSDQOZFZMY-UHFFFAOYSA-N 425.798 4.446 5 20 IIBD Cc1cc(OCC(=O)Nc2sc(C)c(-c3ccccc3)c2C(N)=O)ccc1[N+](=O)[O-] 797427721 ZYACVEJSBIJGIM-UHFFFAOYSA-N 425.466 4.057 5 20 IIBD O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)c1cc([N+](=O)[O-])ccc1I 798032359 QAAFORKYUNLJJW-AULYBMBSSA-N 440.212 4.015 5 20 IIBD O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccc(F)cc1OCCC(F)(F)F 799932052 IYPDEUAYLSOUSK-UHFFFAOYSA-N 426.319 4.005 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1 801091235 RDXFHVKMASQMOE-FQEVSTJZSA-N 427.501 4.252 5 20 IIBD CS(=O)(=O)c1cccc(Oc2ncccc2CNc2cc(Cl)ccc2[N+](=O)[O-])c1 804500714 PROLWFJOMNBLDF-UHFFFAOYSA-N 433.873 4.451 5 20 IIBD O=C(Nc1nc(C2CCOCC2)cs1)c1cc(F)cc([N+](=O)[O-])c1Br 804820324 GXCBVKKVOGBMFI-UHFFFAOYSA-N 430.255 4.099 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2c(Cl)ccc(F)c2F)c(Br)c1 805008267 IBEXEEQPNMWXCV-UHFFFAOYSA-N 428.594 4.057 5 20 IIBD Nc1ccc(-c2noc(-c3ccccc3OCc3cn4ccccc4n3)n2)cc1[N+](=O)[O-] 809236086 XUKNZTXNHUINNR-UHFFFAOYSA-N 428.408 4.121 5 20 IIBD CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)c3cc([N+](=O)[O-])ccc3F)cccc21 809279810 NYISXKLIAGZNTM-UHFFFAOYSA-N 429.448 4.352 5 20 IIBD O=C(C[C@@H]1CCCN1S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)c1cccs1 809397512 WPKBFMLYHDEDGN-JTQLQIEISA-N 449.337 4.389 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@H]1COc2cc(F)c(Br)cc21 809917661 MNYZJFMEFWXTJA-NSHDSACASA-N 430.617 4.405 5 20 IIBD O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCN(c2ccccc2Cl)C1 810589406 JYDWNAAUMUDXJM-HNNXBMFYSA-N 427.844 4.473 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1 812211799 INLNCVRKYLLYIX-OAQYLSRUSA-N 437.883 4.378 5 20 IIBD O=C(OCc1nc(-c2cc(F)c(F)c(F)c2)no1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 815511707 UIFIPELKNBIJPZ-UHFFFAOYSA-N 447.247 4.438 5 20 IIBD O=C(N[C@H]1CCN(c2ccccc2F)C1)c1cc(Br)cc([N+](=O)[O-])c1Cl 817027604 PICVSIZCEHCNIG-NSHDSACASA-N 442.672 4.159 5 20 IIBD COc1cc(C(=O)N[C@@H](C)c2ccc(C(F)(F)F)nc2Cl)c([N+](=O)[O-])cc1OC 817874009 CAIJPLMVKKZGST-QMMMGPOBSA-N 433.770 4.170 5 20 IIBD O=C1/C(=C/NNc2cccc([N+](=O)[O-])c2)c2ccccc2C(=O)N1c1ccccc1Cl 912745265 XGDNNTNBGHEZIF-QGOAFFKASA-N 434.839 4.393 5 20 IIBD CCOC(=O)c1cnn(-c2cccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2)c1C 915042854 DXIZNLHNNPAQQA-UHFFFAOYSA-N 428.832 4.171 5 20 IIBD CCC(CC)[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1cccs1 917870013 GUWJWBYGHODLFG-JLTOFOAXSA-N 433.505 4.442 5 20 IIBD CCc1cccc2c(C(=O)[C@@H](OC(=O)c3c([N+](=O)[O-])c(C)nn3C)c3ccccc3)c[nH]c12 920660785 KCVLMDXQQYYTPD-QHCPKHFHSA-N 446.463 4.461 5 20 IIBD Cc1cc(C(=O)Oc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cc([N+](=O)[O-])c1 920838609 ILUJNBNKSBAZRV-UHFFFAOYSA-N 432.479 4.009 5 20 IIBD Cc1ccc(C(=O)N[C@H](CC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c2ccccc2)cc1 1116163170 AXCHVGGHVWTAKR-HSZRJFAPSA-N 429.476 4.307 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(S(C)(=O)=O)c(Cl)c1 1320625562 JDYPIVAJANXMCW-UHFFFAOYSA-N 428.919 4.405 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CNc2cccnc2N2CCC(O)CC2)o1 1323408876 NNXRSRKOHPINKP-UHFFFAOYSA-N 428.876 4.476 5 20 IIBD CCOC(=O)c1csc([C@@H]2CCCN2c2ncnc3c(Cl)cc([N+](=O)[O-])cc23)n1 1323544258 SYIXAWPEIGBDRN-AWEZNQCLSA-N 433.877 4.166 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3cccc4[nH]ncc34)CCC2)cc1)c1ccc([N+](=O)[O-])o1 1785748784 HHVOIGFLXZYKKG-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)c3ccnc(F)c3)CCC2)cc1 1785792217 VCAQKIUWAGBIMI-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD Cc1c(F)cccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(F)ccc([N+](=O)[O-])c1C)C2 1792757180 WZPZGIPWYFNLIL-MUJYYYPQSA-N 443.450 4.055 5 20 IIBD C/C=C/C=C\C(=O)N1CCC2(CCCN(C(=O)Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 1805485075 QLCIMGKHUQJPIC-ZPYFUIHZSA-N 445.947 4.154 5 20 IIBD O=C(CCC1CCC1)N1CCCC2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)C1 1805796628 XTRTWTIHRSISNI-UHFFFAOYSA-N 431.508 4.159 5 20 IIBD CCC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3cccc([N+](=O)[O-])c3)n[nH]2)CCC1 1814375098 JKLHIQILHVDKMA-IBGZPJMESA-N 439.516 4.133 5 20 IIBD CC(C)(C)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])[nH]n1 1816760262 AIDNSMPPRLQJQH-MRXNPFEDSA-N 431.468 4.199 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1824346208 DSMXRDRWTURWBI-HRAATJIYSA-N 433.524 4.403 5 20 IIBD O=C(COC(=O)COc1ccccc1-c1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl 10594172 LLBNKCMAWDDJBH-UHFFFAOYSA-N 440.839 4.476 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)C(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 15714391 VGYZNVHCTWYKHS-MRXNPFEDSA-N 434.448 4.306 5 20 IIBD COc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c2c[nH]c3ccccc23)cc1 18074813 IFZXBAPKHKPSTI-IBGZPJMESA-N 431.448 4.352 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2c(C)cccc2C(C)C)cc1OC 18969031 JRBTUIRCRQCWFN-UHFFFAOYSA-N 430.457 4.229 5 20 IIBD CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 26587751 IVDHEYSXQKELJZ-ZDUSSCGKSA-N 440.905 4.195 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC=C(c2cccc3ccccc23)CC1 63692251 BWDDKZPOHYMSEN-QGZVFWFLSA-N 429.476 4.182 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)cc1[N+](=O)[O-] 72035782 KZUBBAMCZLIGHM-QGZVFWFLSA-N 436.877 4.085 5 20 IIBD O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(Cl)cc1[N+](=O)[O-] 108238176 YBIBDFUQAHZNRA-UHFFFAOYSA-N 429.782 4.356 5 20 IIBD CC(C)[C@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)c1nc2ccccc2[nH]1 108489326 MBRRDPJPLMVLAT-FQEVSTJZSA-N 443.529 4.065 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C(=O)Nc1ccccc1)c1ccccc1 109102019 WMXADQJOMMQJQS-QHCPKHFHSA-N 432.480 4.201 5 20 IIBD CC(C)(C)OC(=O)NC1(c2noc(Cn3c4ccccc4c(=O)c4ccccc43)n2)CCC1 303421266 XYPABKWNSAEDAD-UHFFFAOYSA-N 446.507 4.490 5 20 IIBD O=C(Nc1nnc(SCc2ccccc2)s1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 409606247 HUOVGPZVZYHFGJ-UHFFFAOYSA-N 438.494 4.177 5 20 IIBD COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 426320324 VDCVKFLJSLUTCW-UHFFFAOYSA-N 436.342 4.175 5 20 IIBD CN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@@H](c1ccc(Cl)cc1)c1cnccn1 427439167 OAALSUOHSSPPGP-NRFANRHFSA-N 425.876 4.088 5 20 IIBD CCOC(=O)[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(OC)c(F)c1 428381609 HBPWPUHNTRIYHA-LJQANCHMSA-N 445.472 4.260 5 20 IIBD Cc1ccc([C@H](C)NC(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)cc1[N+](=O)[O-] 428873975 ZLVZMYRQQBWJBI-LBPRGKRZSA-N 441.879 4.292 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CN[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 430215207 CDWUTPFQXIQRCD-GOSISDBHSA-N 437.418 4.076 5 20 IIBD C[C@H](OCCCNC(=O)COc1c(Br)cccc1[N+](=O)[O-])c1ccccc1 431239799 YBZSJFSTBYRBFG-AWEZNQCLSA-N 437.290 4.020 5 20 IIBD O=C(NCCCc1nc(-c2ccncc2)cs1)c1cc(Br)cc([N+](=O)[O-])c1 432929929 CFVCYSBYQNAPHC-UHFFFAOYSA-N 447.314 4.238 5 20 IIBD COc1cccc(C(=O)Nc2nc3cc(F)c(Br)cc3s2)c1[N+](=O)[O-] 436016988 VUTDGHADMKCCTC-UHFFFAOYSA-N 426.223 4.367 5 20 IIBD CC[C@H]1CN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCS1 437148516 QPDJFJDHRRDTMA-NRFANRHFSA-N 436.537 4.344 5 20 IIBD C[C@@H]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCN1Cc1ccccc1 437481370 XTYXAPJDJUYJES-QGZVFWFLSA-N 431.920 4.140 5 20 IIBD Cc1ccc(NC(=O)C(=O)Nc2ccc(CN3CCc4ccccc43)cc2)cc1[N+](=O)[O-] 438786079 QJRHHQQGLRDMQM-UHFFFAOYSA-N 430.464 4.043 5 20 IIBD COc1cc([C@@H](C)NC(=O)Cc2cccc([N+](=O)[O-])c2C)ccc1OCc1ccncc1 438905488 XPEGHKXSOUIFKP-QGZVFWFLSA-N 435.480 4.306 5 20 IIBD COc1cc(C(=O)N[C@@H]2C[C@@H]3OCCC[C@@H]32)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 438915314 CVSAUBROBISAFX-CLCXKQKWSA-N 432.860 4.346 5 20 IIBD COc1cc(C(=O)N[C@@H]2C[C@H]3OCCC[C@H]23)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 438915321 CVSAUBROBISAFX-SPYBWZPUSA-N 432.860 4.346 5 20 IIBD COCCc1noc(-c2cc(Cl)ccc2NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])n1 440280945 GJBLLNCOIIFGNI-UHFFFAOYSA-N 445.863 4.151 5 20 IIBD C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 440498775 UTIZHUTWDVORKS-ZWKOTPCHSA-N 447.495 4.296 5 20 IIBD Cc1cc2c(Br)ccc(C(=O)N3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)c2o1 442971206 YRXQNJNPNAWUOC-GFCCVEGCSA-N 445.273 4.134 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCC[C@H](N2CCCC2)CC1 444098132 WZWXLRWCNGIVGL-INIZCTEOSA-N 425.479 4.050 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCC(n2cc(Cl)cn2)CC1 444295837 PJVITAFQWFNOKK-UHFFFAOYSA-N 442.853 4.287 5 20 IIBD COc1cc(C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc(Cl)c1OCC(C)C 444637579 RPVGXNQQSBUWIG-UHFFFAOYSA-N 432.864 4.098 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](C)c1nc2ccccc2n1C(F)F 444657816 AASUSDHMJVAARU-NWDGAFQWSA-N 433.415 4.026 5 20 IIBD Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)ccc1OC1CCOCC1 446029094 QDFWBVSLOXJILC-UHFFFAOYSA-N 449.301 4.405 5 20 IIBD CCC(=O)Nc1ccc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 447005652 HZYRVLYQOVDANL-UHFFFAOYSA-N 431.392 4.071 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCc1ccnc(Oc2ccccc2F)c1 447818439 SPEXHGLCTZSELL-UHFFFAOYSA-N 438.459 4.366 5 20 IIBD Cc1nc([C@H]2CCCN2c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CCc2ccccc2)no1 460423906 DJETZYSXZVDCGP-HXUWFJFHSA-N 445.483 4.129 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@@H]2CCCO2)c1 460899210 UOXNCBSMKMSUEK-KRWDZBQOSA-N 439.438 4.201 5 20 IIBD CCc1cc(=NC(=O)[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)c2cc([N+](=O)[O-])ccc2[nH]1 462613333 HWGWOBOXZLGQJD-NSHDSACASA-N 449.433 4.245 5 20 IIBD CC[C@@H](C)N(C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccc(C(N)=O)cc1 463600693 DZFDBJWPWPZUFX-GFCCVEGCSA-N 439.390 4.080 5 20 IIBD CN(CC(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1ccccc1[N+](=O)[O-] 463887952 QMXQRCDIGHJQKD-INIZCTEOSA-N 440.500 4.487 5 20 IIBD C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)Oc1ccc(Br)cc1 464637298 ZEVKWPMBZXGLQN-NSHDSACASA-N 427.682 4.137 5 20 IIBD CCC1(CNc2ccc(C(=O)c3ccccc3C(=O)OC)cc2[N+](=O)[O-])CCOCC1 466650412 GYKXLOOZLUSDJW-UHFFFAOYSA-N 426.469 4.231 5 20 IIBD COC(=O)COc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c2ccccc12 468225223 QKCSPRVGCJOZIZ-UHFFFAOYSA-N 426.450 4.031 5 20 IIBD COc1cc(S(=O)(=O)Nc2ncc(Cc3ccc(C)c(C)c3)s2)ccc1[N+](=O)[O-] 469334659 CBFBFUHVPLZJCY-UHFFFAOYSA-N 433.511 4.068 5 20 IIBD CCCOc1cc(NC(=O)N2CC[C@@H](C)[C@H](n3ccnc3)C2)c([N+](=O)[O-])cc1OCCC 469713723 XBRPFECCXVVECZ-VQIMIIECSA-N 445.520 4.484 5 20 IIBD C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)no1 471590655 YHAHLABMCDNCMF-JTQLQIEISA-N 432.234 4.290 5 20 IIBD Cc1cc(Br)c(F)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 471993675 VJAABEYXIRFTKB-UHFFFAOYSA-N 440.250 4.154 5 20 IIBD Cc1cc(NC(=O)N[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)ccc1[N+](=O)[O-] 473767490 HSAXRDVMXCQLAX-OAQYLSRUSA-N 439.493 4.218 5 20 IIBD CCOc1cc(C(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)c([N+](=O)[O-])cc1OC 474131596 KALCSOQIVFNCKP-UHFFFAOYSA-N 438.402 4.483 5 20 IIBD Cc1ccc([C@H](C)NC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1[N+](=O)[O-] 474481299 WMDQORYZXCXPOF-LBPRGKRZSA-N 431.901 4.379 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 475571420 MIVZRWVSYDOTPA-QGZVFWFLSA-N 439.516 4.351 5 20 IIBD Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3cc(O)nc4ccc([N+](=O)[O-])cc34)cc2)n1 478542894 ZQUNNPNFAPQZRS-OAHLLOKOSA-N 431.452 4.142 5 20 IIBD Cc1ccccc1[C@@H]1CN(c2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)[C@@H](C)CO1 480067522 ZVJQPXYABXKYOG-YWZLYKJASA-N 440.887 4.069 5 20 IIBD CC(C)(C)[C@H]1CCc2nc(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)sc2C1 480101761 ZIZFGBMRERCSLY-ZDUSSCGKSA-N 426.502 4.035 5 20 IIBD Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)NCc4cccc([N+](=O)[O-])c4C)cc3C2=O)c1 481464906 IQZRGQQEUXFIHQ-UHFFFAOYSA-N 443.459 4.251 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1)N1CCOCC1 481597555 NNADYRDKQDRVRN-NRFANRHFSA-N 443.569 4.146 5 20 IIBD C[C@@H](O)[C@@](C)(CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)Cc1ccccc1 482177445 JKBRFYVMGLIFMA-AKJBCIBTSA-N 432.495 4.180 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCc3ccccc3N3CCCCC3)cc2)c(C)c1[N+](=O)[O-] 482421122 KDWMJFBVGZBYDG-UHFFFAOYSA-N 447.539 4.377 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N1CCOC2(CCCC2)C1 483309439 LNBBMGFULPCTAG-UHFFFAOYSA-N 446.507 4.162 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccc(Cl)c(C)c1 485032528 JWFGCNQOPBHOBK-UHFFFAOYSA-N 436.917 4.184 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H](c1ccccc1)N1CCSCC1 486739425 SWMTYADMWHTVSY-SFHVURJKSA-N 439.459 4.020 5 20 IIBD CCc1ccc([C@@H](NC(=O)Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)c2cccs2)cc1 487865110 YESNDQSBRXTKIL-HSZRJFAPSA-N 447.516 4.439 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)cc1[N+](=O)[O-] 488035906 PUJYWMZTJCMPLP-GFCCVEGCSA-N 447.264 4.482 5 20 IIBD CC(C)(NC(=O)NCCc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1[N+](=O)[O-] 488982457 NWQZZOOFAMKRNU-UHFFFAOYSA-N 429.864 4.075 5 20 IIBD CC(C)(NC(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1)c1ccccc1[N+](=O)[O-] 489090402 VFCZWLSTGVRYSQ-AWEZNQCLSA-N 434.443 4.009 5 20 IIBD CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 491064320 XXFUMISOVSPZPI-UHFFFAOYSA-N 436.434 4.387 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 491080189 VHJCQEUXVXDMJP-UHFFFAOYSA-N 434.886 4.425 5 20 IIBD CCOc1cc(C(=O)NCc2ccccc2CN2CCCCCC2)c([N+](=O)[O-])cc1OC 493836875 RQYQZAPPJMGJRK-UHFFFAOYSA-N 441.528 4.308 5 20 IIBD Cc1nn(CCC(=O)Nc2ccc(Oc3nncc4ccccc34)cc2)c(C)c1[N+](=O)[O-] 498609178 XAXBJTXPVDIQAV-UHFFFAOYSA-N 432.440 4.172 5 20 IIBD CC[C@H](C)Sc1ccc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c(C(F)(F)F)c1 499594681 GMVATQLJRCALFY-NSHDSACASA-N 429.420 4.305 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccnc(OC3CCCCC3)c2)cc1OC 500034482 YFDURBHEHQQOFE-UHFFFAOYSA-N 429.473 4.039 5 20 IIBD C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 500347969 VPQIWHFHAZJLDC-UJNZZBMASA-N 443.466 4.204 5 20 IIBD COc1ccc(CCNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c(Cl)c1OC 500478021 DTMULDCZTDBRSO-NSHDSACASA-N 443.283 4.045 5 20 IIBD O=c1[nH]c(Cc2ccc([N+](=O)[O-])cn2)nc2cc(-c3ccc(Br)cc3)sc12 502817757 YJZUUBXRSSKTJP-UHFFFAOYSA-N 443.282 4.308 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(C)cc2OC[C@H]2CCCO2)cc1[N+](=O)[O-] 508043274 UJEMEPFBSDEFQF-QGZVFWFLSA-N 446.525 4.342 5 20 IIBD COc1cc(Cl)ccc1-c1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1C 508134827 WZKYPEAMVNXMKF-UHFFFAOYSA-N 443.891 4.100 5 20 IIBD COc1ccc(CN(c2ccncc2)S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1 508355192 RLZCSAUBMGGPEF-UHFFFAOYSA-N 427.482 4.011 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC1(Cc2cccc(F)c2)CCOCC1 508719078 KEWSMKZKPJPJTI-UHFFFAOYSA-N 438.908 4.388 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2cccc(C(=O)N(C)C)c2)cc1 509216093 QQZGHHKRCAPFNJ-UHFFFAOYSA-N 449.463 4.028 5 20 IIBD CCc1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)cs1 509478576 KDMSQFZUFUPLKJ-SECBINFHSA-N 445.282 4.018 5 20 IIBD CCCC(=O)Nc1ccc(CNC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1 510007321 USFJRRWOAYCMDW-UHFFFAOYSA-N 434.290 4.334 5 20 IIBD Cc1c(Br)cc(C(=O)NCCc2nc(C(F)(F)F)cs2)cc1[N+](=O)[O-] 510055954 NRZNJDLVPKHJMP-UHFFFAOYSA-N 438.225 4.114 5 20 IIBD O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1ccc([N+](=O)[O-])cc1Cl 510563220 ZCRCVFOVSYTAQL-NSHDSACASA-N 429.782 4.156 5 20 IIBD COc1cccc(Oc2ccc(CNC(=O)N(C)CCc3cccc([N+](=O)[O-])c3)cn2)c1 510820280 ISKJFUGMYLEPGN-UHFFFAOYSA-N 436.468 4.175 5 20 IIBD Cc1cccc2sc(NC(=O)c3ccc([N+](=O)[O-])cc3I)nc12 511463180 PEXHQHXFJJXWSJ-UHFFFAOYSA-N 439.234 4.370 5 20 IIBD C[C@H](c1ccc(OC(F)(F)F)cc1)S(=O)(=O)Cc1cc([N+](=O)[O-])cc2c1OCOC2 512494521 PYWRKLXXJSTURF-LLVKDONJSA-N 447.387 4.036 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@](O)(C(F)(F)F)CC2)cc1OC 512566546 XTMFNXYOWCZRNM-AUUYWEPGSA-N 434.455 4.308 5 20 IIBD COC(=O)c1scc(-c2ccc(C)cc2)c1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 516600040 JCYOLRCAYMCQPG-UHFFFAOYSA-N 440.433 4.399 5 20 IIBD Cc1cc(C(C)(C)C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1Br 517443019 KPCUDULBVNZRNT-OAHLLOKOSA-N 447.333 4.051 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCc1cccnc1Oc1cccc(F)c1 518660225 GQRCDOSGVNJTOD-UHFFFAOYSA-N 437.836 4.053 5 20 IIBD COC(=O)c1c(CC(C)C)csc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 519130986 JNYBURAJBWATMP-UHFFFAOYSA-N 428.470 4.079 5 20 IIBD CSc1ccc(-c2csc(NC(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)n2)cc1 520228909 RVVQMMCBECMDQH-UHFFFAOYSA-N 438.494 4.273 5 20 IIBD O=C(NCCNC(=O)c1cccs1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 521653556 VGNYSTKOKUZECS-UHFFFAOYSA-N 426.454 4.000 5 20 IIBD COc1cc(CNCC(C)(C)N2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F 521814718 TULZTNLFBHNBTI-CQSZACIVSA-N 433.471 4.145 5 20 IIBD O=C(Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)Nc1cccc([N+](=O)[O-])c1 522716964 AOSNELHKKRAZMY-UHFFFAOYSA-N 447.419 4.491 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 522851208 PRUMGDSZZVWCRA-HNNXBMFYSA-N 442.347 4.228 5 20 IIBD CC[C@@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(Br)c1 522972412 BQZIZDZRFBUROU-CQSZACIVSA-N 441.347 4.046 5 20 IIBD O=C(Nc1ccc(OCCc2ccccc2)nc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 524063166 KNXYFSRLMQELGI-UHFFFAOYSA-N 429.436 4.049 5 20 IIBD COc1ccc(CNc2cccc(Cn3cncn3)c2)cc1OCc1ccc([N+](=O)[O-])cc1 524457934 RVTKODLUXVYREY-UHFFFAOYSA-N 445.479 4.434 5 20 IIBD CC(C)(C)n1cc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)c(-c2ccc(F)cc2F)n1 524660030 FFHBBLGFUMNPLV-UHFFFAOYSA-N 428.439 4.464 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CCC[C@H](COc2ccccc2Cl)C1 532804561 CRGOSEWFIJJOMI-AWEZNQCLSA-N 441.871 4.433 5 20 IIBD COc1cc(CN(C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c(SC)cc1OC 532973653 NLRVJXQXEHVQEV-UHFFFAOYSA-N 439.921 4.058 5 20 IIBD Cc1ccc(-c2ncco2)cc1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 533951398 KPVJGENTTKEXGB-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Br)cc(Cl)c2O)c(Cl)c1 534165829 RACDCTWWUROCPM-UHFFFAOYSA-N 442.074 4.171 5 20 IIBD COc1ccc(C[C@H](C)CN(C)C(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1 535653462 VLILLZJFQFVDLC-ZDUSSCGKSA-N 438.427 4.164 5 20 IIBD COc1cc(C(=O)NCC2=CCN(C)CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 537233968 ANZMQJSBZGXOGS-UHFFFAOYSA-N 431.876 4.041 5 20 IIBD O=C(Nc1cncnc1-n1cccn1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 537462353 WJSZITHLDPCAGN-UHFFFAOYSA-N 449.858 4.088 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[C@@H](c4n[nH]c(-c5ccccc5)n4)C3)o2)c1 538666132 OWUIESBYWHSPCK-LJQANCHMSA-N 444.495 4.457 5 20 IIBD C[C@@H]1C[C@H](CCNC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCO1 542274536 AEOAIXOTJUUQEX-HUUCEWRRSA-N 443.466 4.151 5 20 IIBD O=[N+]([O-])c1cccc(Oc2ccc(-c3noc(CCS(=O)(=O)C4CCCC4)n3)cc2)c1 547178358 SIVCELATUSBMBC-UHFFFAOYSA-N 443.481 4.337 5 20 IIBD Cc1cc(Cc2noc(Cc3csc(NC(=O)c4cccs4)n3)n2)ccc1[N+](=O)[O-] 547267203 IEJLUUCSLKLIJV-UHFFFAOYSA-N 441.494 4.238 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCO[C@H](c3ccc(F)cc3F)C2)cc1[N+](=O)[O-] 547987045 LLQXYMFOYNLXBF-KRWDZBQOSA-N 441.228 4.158 5 20 IIBD Cn1cc(C[C@@H]2CCN(Cc3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)C2)cn1 552076764 DPDSSEMTMCBJDG-IBGZPJMESA-N 442.523 4.246 5 20 IIBD CCc1csc(NC(=O)c2ccc(C(=O)Nc3nc(CC)cs3)c([N+](=O)[O-])c2)n1 552260822 BCTMHLYICADYPF-UHFFFAOYSA-N 431.499 4.137 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccc(Oc4cccnc4)nc3)cc2)c(C)c1[N+](=O)[O-] 556298597 QCGLFUIFZITCSZ-UHFFFAOYSA-N 444.451 4.291 5 20 IIBD CC[C@H]1CN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C[C@H](C)S1(=O)=O 558029057 CEMMCAIMVIIMOF-YJBOKZPZSA-N 448.566 4.092 5 20 IIBD Cc1ccc(C(C)C)c(Oc2ccc(CN[C@H]3CCS(=O)(=O)[C@H]3C)cc2[N+](=O)[O-])c1 560564914 PVUAWYRZEVKTTM-LPHOPBHVSA-N 432.542 4.484 5 20 IIBD NC(=O)c1cccc(NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)c1[N+](=O)[O-] 561167530 QPFJQMIGYVUHKG-UHFFFAOYSA-N 427.464 4.218 5 20 IIBD Cc1cccc(-c2cnc(NC(=O)CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])s2)c1 561742025 NQSQSGGVFXIJFO-UHFFFAOYSA-N 430.873 4.049 5 20 IIBD CCOc1ccccc1NC(=O)Cc1noc(C(C)(C)c2ccc([N+](=O)[O-])cc2F)n1 561911679 AJKMKSGYUSJTJD-UHFFFAOYSA-N 428.420 4.023 5 20 IIBD COc1cc(Cc2noc(COc3cccc(C(F)(F)F)c3)n2)c([N+](=O)[O-])c(OC)c1 562481366 XRVNTFDNGXYSKF-UHFFFAOYSA-N 439.346 4.184 5 20 IIBD CC(=O)Nc1ccc(C)c(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)c1 564003064 PIRHKNLSLWKMTO-UHFFFAOYSA-N 431.246 4.265 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)O[C@@H](c2ccsc2)C1 565078786 OPJVJIIMMJMWMZ-MGPLVRAMSA-N 425.304 4.329 5 20 IIBD C[C@H](CCc1ccco1)NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 588675808 PLOZIXDIFLKWPA-CQSZACIVSA-N 440.422 4.060 5 20 IIBD O=C(c1cc(Br)c2ccccc2c1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 590261684 IBCJFBHSMWRIRA-OAHLLOKOSA-N 441.285 4.232 5 20 IIBD Cc1sc(NC(=O)c2ccc3c(c2)NC(=O)CS3)nc1-c1cccc([N+](=O)[O-])c1 603996894 IYFOEGRVEMDXAC-UHFFFAOYSA-N 426.479 4.323 5 20 IIBD O=C(Nc1ccccn1)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 604105149 ASLIGHKSMNVPGE-QGZVFWFLSA-N 446.463 4.273 5 20 IIBD COc1cc(OCC(=O)N[C@H](C)c2sc(-c3ccccc3)nc2C)ccc1[N+](=O)[O-] 604457925 LLAAEBHDBBMADH-CYBMUJFWSA-N 427.482 4.292 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N[C@@H]1CCSc2ccc(F)cc21 609030537 WOKGOTGDMJYQQC-GFCCVEGCSA-N 447.307 4.012 5 20 IIBD Cc1ccc2c(Cl)c(C(=O)N3CCN(C(=O)c4ccc([N+](=O)[O-])s4)CC3)sc2c1 609163739 WQTZZGNDYQCOHV-UHFFFAOYSA-N 449.941 4.431 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(-c3nc(CC(=O)NC4CCCCC4)no3)cc2[N+](=O)[O-])C1 609473714 UIUNNROHLGRVBD-IYBDPMFKSA-N 441.532 4.119 5 20 IIBD O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 609506598 KWRGKAJSVGZVNW-UHFFFAOYSA-N 429.889 4.041 5 20 IIBD CCc1ncncc1C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 609791983 VVSSQKYCPBRFTI-UHFFFAOYSA-N 430.823 4.462 5 20 IIBD O=C(CCCN1CCN(c2ccccc2)CC1)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 609859270 VZCLADPHBKBPIF-UHFFFAOYSA-N 436.556 4.473 5 20 IIBD CCOC(=O)c1ccnc(Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)c1[N+](=O)[O-] 609964006 RYJKHBGBMFOXIM-HKBQPEDESA-N 439.493 4.359 5 20 IIBD C[C@H](c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1)N1CCOCC1 610044306 FNAUBPNLFKXQQA-CYBMUJFWSA-N 434.290 4.003 5 20 IIBD Cc1ccc(NCCCNC(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c([N+](=O)[O-])c1 610092976 JNVQOBBYOGZKFO-UHFFFAOYSA-N 427.505 4.055 5 20 IIBD COc1cc(CCNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1C 610154324 CTUYOKCVYDRUIR-UHFFFAOYSA-N 428.432 4.382 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CC[C@H](N(C)Cc4ccccc4)C3)cc2[N+](=O)[O-])CC1 610297220 UTPMOIAPGLGEOI-QFIPXVFZSA-N 436.556 4.178 5 20 IIBD CN(C[C@@H](O)C1CC1)C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 610669924 JXRYGJOBDKNMPX-MRXNPFEDSA-N 429.523 4.199 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCO[C@@H]([C@@H]4CCCO4)C3)cc2[N+](=O)[O-])cc1 610687263 AUZNXSVYJCVTRR-VQTJNVASSA-N 428.510 4.074 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CCN(c2ccc(O)cc2)CC1 611198045 DIYXPSUTYYFVEC-UHFFFAOYSA-N 427.526 4.298 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N(CCOC)Cc2sccc2Br)c1 619795981 NTBDPLKYIFVEBU-UHFFFAOYSA-N 443.319 4.106 5 20 IIBD CC(C)(C)OC(=O)NC1(CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CCCCC1 725789888 JVLHCVPSCWLIIF-UHFFFAOYSA-N 432.521 4.127 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc2c(c1)nc(O)n2C1CCCC1 725962560 MNLYJRVYOLCMBS-UHFFFAOYSA-N 449.423 4.172 5 20 IIBD CC(C)(C)OC(=O)NCc1cccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c1 727867494 FMGQLGKYVNCNFT-UHFFFAOYSA-N 437.456 4.058 5 20 IIBD O=C(Cc1c(Cl)cccc1Cl)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730703132 JYJYAXRPWNOEMY-CYBMUJFWSA-N 437.279 4.292 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)[C@H]2C[C@H]2c2cccc3ccccc23)c([N+](=O)[O-])c1 730877903 RPBVFVFJHRJUNR-GKCIPKSASA-N 434.448 4.431 5 20 IIBD COc1cc(C(=O)Nc2cccc(SC(=O)N(C)C)c2)c([N+](=O)[O-])cc1OC(F)F 731417189 JHSAPGARZNTMKE-UHFFFAOYSA-N 441.412 4.231 5 20 IIBD C[C@@H](Nc1ccc(C(=O)O[C@@H]2CCN(c3ccccc3)C2=O)cc1[N+](=O)[O-])c1ccccn1 731717794 YQHKMQLZCSBYOB-OPAMFIHVSA-N 446.463 4.125 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3[C@@H](C)[C@@H](c4ccccc4)OC[C@H]3C)cc2)c(C)c1[N+](=O)[O-] 732016754 FVBNKJBAIGXSIZ-MTJJIEKYSA-N 448.523 4.447 5 20 IIBD Cc1cc(Br)cc(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1N 733018786 SEGZBRHWCQWRTG-JTQLQIEISA-N 447.245 4.216 5 20 IIBD O=C(COC(=O)c1cc(F)ccc1[N+](=O)[O-])Nc1cccc(CSc2ccccn2)c1 733470522 YDPFMUCQSHAOFI-UHFFFAOYSA-N 441.440 4.217 5 20 IIBD Cc1cc(-n2c(C)cc(C(=O)COc3ccc([N+](=O)[O-])cc3Br)c2C)no1 737399295 JOIZSYRYPJKFCH-UHFFFAOYSA-N 434.246 4.323 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)NCCCCc3ccc([N+](=O)[O-])cc3)cc2F)C[C@H](C)O1 740023009 OWUNNMHUDWYVBN-IRXDYDNUSA-N 444.507 4.492 5 20 IIBD CC(C)(C(=O)OCc1csc(CC(=O)Nc2ccccc2)n1)c1ccc([N+](=O)[O-])cc1 740395634 YLOXATKEIHFTET-UHFFFAOYSA-N 439.493 4.254 5 20 IIBD Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)cc2)n1 742200359 YOVHBTOXHOXVIT-SFHVURJKSA-N 433.512 4.489 5 20 IIBD O=C(Nc1sc2c(c1C(=O)NCc1cccc([N+](=O)[O-])c1)CCCC2)c1cccnc1 742424197 KQFMDJCVOXJOEM-UHFFFAOYSA-N 436.493 4.112 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)cc1 742893580 SNMQXAIFKHEOMV-GFCCVEGCSA-N 425.445 4.309 5 20 IIBD CCCCC[C@@H](C)CC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 744350318 ROIIRJFGLLBOHN-CYBMUJFWSA-N 425.532 4.429 5 20 IIBD Cc1ccc(N2CCC[C@H](OC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)C2=O)cc1 744895803 WFICOGPZTQECSV-IBGZPJMESA-N 437.477 4.379 5 20 IIBD Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 745437338 AMXHDLXJMMJORN-UHFFFAOYSA-N 439.815 4.149 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(C)C1c2ccccc2-c2ccccc21 747935937 OVIMVGUTEKRDIT-UHFFFAOYSA-N 432.432 4.023 5 20 IIBD Cc1cc(C(=O)NCC(=O)O[C@@H](C)c2ncc(-c3ccc(Cl)cc3)o2)ccc1[N+](=O)[O-] 751604460 QLETXHLCCNYKCM-ZDUSSCGKSA-N 443.843 4.246 5 20 IIBD CCCc1c(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1C1CCCC1 751849946 TWDGYCWCHUIJSF-UHFFFAOYSA-N 425.445 4.266 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1CC(F)(F)F 756800951 VJZDKLSHCGGIRK-UHFFFAOYSA-N 433.770 4.024 5 20 IIBD CN1CCC[C@H](COC(=O)c2ccc([N+](=O)[O-])n2C)[C@H]1c1ccc(C(F)(F)F)cc1 757899638 ZBJYJESHMLGFBL-RDTXWAMCSA-N 425.407 4.192 5 20 IIBD C[C@H](OC(=O)c1cccc(Br)c1F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 759153963 PEMWYJWIHLWBIA-QMMMGPOBSA-N 445.628 4.334 5 20 IIBD Cc1ncc(-c2ccccc2)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 760784409 DWUJBXNYIBEMDH-QGZVFWFLSA-N 434.427 4.096 5 20 IIBD Cc1ccc(-c2cnc(-c3ccccc3C(=O)OCCn3cc([N+](=O)[O-])ccc3=O)o2)cc1 761366570 LDGSPPZXHYYOSJ-UHFFFAOYSA-N 445.431 4.244 5 20 IIBD CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)c3cc(F)c([N+](=O)[O-])cc3F)cc2)cc1 763445865 LPYUPIBVVOVOAQ-UHFFFAOYSA-N 448.403 4.321 5 20 IIBD O=C(Nc1ccc(Cl)cn1)c1cccc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)c1 763464586 VHXZFWZKEHBHEM-UHFFFAOYSA-N 432.770 4.426 5 20 IIBD CC(C)[C@H](OC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(=O)N[C@@H]1CCOc2ccccc21 763714962 GNZAXWOFBINNBK-APWZRJJASA-N 432.860 4.070 5 20 IIBD COc1cc(CSc2nnc(-c3cc(Cl)ccc3Cl)n2N)c([N+](=O)[O-])cc1F 766039933 ZJXXIFWPNOWTDN-UHFFFAOYSA-N 444.275 4.314 5 20 IIBD Cc1cc(C(=O)N2CCC(C)CC2)ccc1NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 768266081 MWRFSPZXSILKCE-UHFFFAOYSA-N 449.504 4.024 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NCc1cc(Cl)ccn1 770531252 BVDKRUPYPSZTNH-UHFFFAOYSA-N 447.882 4.355 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)C2(Cc3cccc(F)c3)CCC2)c([N+](=O)[O-])c1 775068756 UJQIFKSLGPYARV-AWEZNQCLSA-N 430.432 4.026 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)OC[C@H]1CC(=O)N(CCc2ccccc2)C1 775255090 JEIJYOVTNHBYOX-SFHVURJKSA-N 442.537 4.343 5 20 IIBD O=C(O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1cccc(OC[C@@H]2CCCO2)c1 776132486 FEXLHAWNBCTXQF-REWPJTCUSA-N 434.448 4.494 5 20 IIBD O=C(O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1ccn(-c2ccccc2[N+](=O)[O-])n1 776140447 XPRQHMHOAVHISW-NRFANRHFSA-N 445.391 4.030 5 20 IIBD O=C(OCc1ccc(OCCC(F)(F)F)cc1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 776382033 HWZBPNBDGSIWFF-GOSISDBHSA-N 438.358 4.162 5 20 IIBD C[C@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@@H](OC1CCOCC1)c1ccccc1 778047942 ACJRQRXXBBDKKO-MGPUTAFESA-N 434.439 4.128 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)CCc1nc(O)c2c3c(sc2n1)CCC3 778755342 MAFUTDLWGWQPMW-GFCCVEGCSA-N 427.482 4.339 5 20 IIBD O=C(O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 778782609 IKMUBMPPHQMEIY-INIZCTEOSA-N 448.357 4.099 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)c1nn(-c2cccc(Cl)c2)c(C)cc1=O 778813014 YLLQCLDANJAHTQ-AWEZNQCLSA-N 427.844 4.329 5 20 IIBD Cc1cccc(C)c1NC(=O)COC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781257873 WOZUNVFHTHAECM-UHFFFAOYSA-N 436.414 4.372 5 20 IIBD CCCC[C@H](OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)Nc1cc(C)on1 781267303 FOTJSQPJWYYLFQ-FQEVSTJZSA-N 433.464 4.332 5 20 IIBD CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccc([N+](=O)[O-])s2)NC(=O)N1C 782244655 JTMGANBOYDUKOU-OAHLLOKOSA-N 440.403 4.284 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 784255922 AJIBNKOCFBZSPZ-UHFFFAOYSA-N 436.468 4.316 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 784551579 HVTLOHHSSBKBJV-WBAXXEDZSA-N 449.573 4.472 5 20 IIBD Cc1ccccc1-c1noc([C@H](C)OC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)n1 786787678 SPGPAQXZVUQSSK-AWEZNQCLSA-N 434.408 4.185 5 20 IIBD CCC[C@@H](N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 788585914 XOGPFRVVFPRIOK-IIBYNOLFSA-N 425.533 4.235 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCOC[C@H]2C)cc1 790549061 UOOAFAKUSZUOSB-GFCCVEGCSA-N 434.290 4.143 5 20 IIBD Cc1cc(C[C@H](C)NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])n(-c2ccccc2)n1 790556631 GPOAROSTEJWWIT-ZDUSSCGKSA-N 430.867 4.171 5 20 IIBD Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c1C 792594108 NAGMMNPZJGWROP-LJQANCHMSA-N 439.859 4.182 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCCc1cccc(OCC(F)(F)F)c1 795283071 XWGURAPWAAWECY-UHFFFAOYSA-N 425.363 4.147 5 20 IIBD Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)CCCC(F)(F)F 799818602 ACOGHWSHIOZURD-SECBINFHSA-N 433.246 4.065 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1nc(-c2ccccn2)cs1 800339479 VRESDPOMMXJMRI-UHFFFAOYSA-N 427.485 4.417 5 20 IIBD COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N 801868517 XJHFIHQKEPFNQV-HNNXBMFYSA-N 438.253 4.065 5 20 IIBD C[C@@H](CC1CCOCC1)OC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 803020613 FXXAYDDWGHDXBE-INIZCTEOSA-N 440.496 4.254 5 20 IIBD O=C(Oc1ccc(SC(F)(F)F)cc1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 803078311 HHNLODUMTCPBMU-LBPRGKRZSA-N 446.428 4.478 5 20 IIBD O=C(OCc1nc2cc(Br)ccc2o1)C(F)(F)c1ccc([N+](=O)[O-])cc1 803423376 QIEYOWNVTPHBQD-UHFFFAOYSA-N 427.157 4.334 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@](C(=O)OC)(C(F)(F)F)C1 804367765 SHNOXHPHSSXRTK-KRWDZBQOSA-N 434.436 4.055 5 20 IIBD CC[C@@H](NC(=O)Cc1noc(-c2cc([N+](=O)[O-])ccc2N2CCCC2)n1)c1ccccc1 809485164 ONZOPWFIMBBGEV-LJQANCHMSA-N 435.484 4.055 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCn3c(cc4ccccc43)C2)c(Cl)cc1Cl 809847690 VLQFWHXDIKALIC-UHFFFAOYSA-N 440.308 4.451 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1 810403417 QDDIMRDZDZRGGR-LSDHHAIUSA-N 446.301 4.138 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCOc2c1ccc(Cl)c2Cl 810403896 XEQJJZDPPYHZIL-CQSZACIVSA-N 438.267 4.043 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)s1 811288467 HYYDXRGYGQQMBE-UHFFFAOYSA-N 449.485 4.132 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)CC(C)(C)O2 811953880 SVNOEGPQGDDTIX-OAHLLOKOSA-N 430.461 4.302 5 20 IIBD O=[N+]([O-])c1ccc(Br)c(OS(=O)(=O)c2ccc(C(F)(F)F)s2)c1 812507440 BRZYZWOBKJUVSL-UHFFFAOYSA-N 432.195 4.205 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc(N2CCCNC2=O)cc1 812760022 QKYIEAXBVGNXFL-CQSZACIVSA-N 428.514 4.118 5 20 IIBD O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 812839492 XHVAPTPPUIEXGT-UHFFFAOYSA-N 426.370 4.102 5 20 IIBD O=C(NCc1cccc(NC(=O)N2CCCC2)c1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813420027 IFDCJMSSFOQKEL-UHFFFAOYSA-N 437.283 4.459 5 20 IIBD CN(C)c1cc(F)c(C(=O)Nc2cc(F)ccc2Sc2nccn2C)cc1[N+](=O)[O-] 821673255 USQQHZFUVJTEFS-UHFFFAOYSA-N 433.440 4.076 5 20 IIBD C[C@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)ccc1F 853791505 QWUMZIWYTCWNBF-QMMMGPOBSA-N 445.628 4.334 5 20 IIBD CC(C)[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)N[C@@H]1CCOc2ccccc21 877043383 HRJFHWBOHFTENB-IEBWSBKVSA-N 432.860 4.070 5 20 IIBD O=[N+]([O-])c1cc(I)cc(-c2nc(-c3ccc(F)c(F)c3)no2)c1 904366277 CABOWBMHTXDPPD-UHFFFAOYSA-N 429.120 4.195 5 20 IIBD Cc1c(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 912411857 WWJFOPJKPKJWCR-IBGZPJMESA-N 432.864 4.032 5 20 IIBD O=[N+]([O-])c1ccc(NC(=S)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 916003284 XANJAPVYENHEPO-UHFFFAOYSA-N 428.495 4.205 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@H](OCC(F)(F)F)C2)CC1 917752902 HWYJANXHMNMNCT-INIZCTEOSA-N 429.439 4.015 5 20 IIBD C[C@@H](COc1ccccc1)NC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 918348360 XVNGZPAKHJTNDN-KRWDZBQOSA-N 447.491 4.089 5 20 IIBD O=c1oc2cc(F)c(Br)cc2n1Cc1ccc([N+](=O)[O-])cc1Br 1116814922 VAOLPZSWGRHWKF-UHFFFAOYSA-N 446.026 4.215 5 20 IIBD Cc1ccc(C)c(-n2ncc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3N)c2C)c1 1116937570 DPNCIBOXXYVAIR-UHFFFAOYSA-N 444.289 4.303 5 20 IIBD Cc1cc(N2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 1318219494 ZMPPCXGGQKEWGD-QFIPXVFZSA-N 429.480 4.313 5 20 IIBD C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(F)cc1OC(F)F 1319801373 QXCUNLOXTATLPO-ZDUSSCGKSA-N 437.418 4.429 5 20 IIBD Cc1ccc(-c2nn(CN3CCc4ccc([N+](=O)[O-])cc4C3)c(=O)c3ccccc23)cc1 1332160679 KWPKRDGSEFFCGZ-UHFFFAOYSA-N 426.476 4.296 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3n[nH]cc3[N+](=O)[O-])CCC2)cc1)c1ccc(Cl)cc1 1790296415 DLXVEOSPFMEFDS-UHFFFAOYSA-N 439.859 4.033 5 20 IIBD CCOCCC(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])CCC2)cc1 1791965581 ZWQXUHOIQHTBQQ-MDWZMJQESA-N 437.496 4.169 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)[C@]4(C)CC4(F)F)cc3)CCC2)ncc1[N+](=O)[O-] 1792246431 LSNVVJQAQNTPEP-FQEVSTJZSA-N 444.438 4.091 5 20 IIBD Cc1cccc(Cl)c1C(=O)N1CCC2(CCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)CC1 1804650918 AIXSIWDKLZWEET-UHFFFAOYSA-N 445.903 4.308 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])[nH]n1)c1ccsc1 1816357709 NZRRDVIMORRHTE-INIZCTEOSA-N 443.460 4.138 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C3CC3)cc2)[nH]n1)c1ccc([N+](=O)[O-])[nH]1 1820367396 OUWZAHYXYOUOMK-LJQANCHMSA-N 448.483 4.143 5 20 IIBD Cc1ccc(C)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)c1 1823615244 FAOQIBKRHIQZLR-HXUWFJFHSA-N 439.512 4.352 5 20 IIBD C[C@]1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)CC=CCC1 1823617056 YHOCHJIAWOFBDB-MBSDFSHPSA-N 429.517 4.168 5 20 IIBD O=C(c1ccoc1Cl)N1CC2(CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 1845739420 WCZQNKCCZMRSGO-UHFFFAOYSA-N 445.884 4.187 5 20 IIBD COc1cc(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])ccc1OCC(C)C 9536734 SMOOMSLLHVRQBZ-UHFFFAOYSA-N 436.848 4.087 5 20 IIBD O=C(Nc1ccc(N2CCOCC2)c2ccncc12)c1cc2cc([N+](=O)[O-])ccc2s1 9681987 HAVJTBAOVAGDMM-UHFFFAOYSA-N 434.477 4.447 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCc2coc(-c3cccs3)n2)CC1 10874148 YKAFWBBXARVKLO-UHFFFAOYSA-N 426.498 4.478 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1 16196302 PLGKWASVBLJLCG-UHFFFAOYSA-N 447.469 4.375 5 20 IIBD C[C@H](OC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]1c1cccs1 22243794 WODVQQOPKRKYNO-SUMWQHHRSA-N 429.498 4.140 5 20 IIBD Cc1cc(C(=O)COC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1CCc1cccs1 22703659 MKBZTIRCRNTZIY-UHFFFAOYSA-N 426.494 4.286 5 20 IIBD Cn1c(COc2ccc(Cl)cc2)nnc1SCCC(=O)Nc1ccccc1[N+](=O)[O-] 26369357 ZZSRKZLGDOKCFA-UHFFFAOYSA-N 447.904 4.077 5 20 IIBD COc1ccc([C@H](NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)C2CC2)cc1 26951136 FCFAVRAEYNTVJC-JOCHJYFZSA-N 434.496 4.346 5 20 IIBD CNC(=O)c1ccc(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1 30462592 PZUJKIOLCRXSGM-UHFFFAOYSA-N 439.855 4.330 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c1 31490961 ALRDLDMTNIPLAU-UHFFFAOYSA-N 435.484 4.296 5 20 IIBD O=C(NCc1cccc(COCc2ccccc2)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 32255114 SJNSUIMVHQKJCL-UHFFFAOYSA-N 442.475 4.427 5 20 IIBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H](c1ccc2c(c1)CCCC2)c1cccs1 57851803 BDIPSUOUELHKDX-QHCPKHFHSA-N 449.532 4.171 5 20 IIBD COC(=O)c1cc(C(=O)N(C)c2ccc(Br)cc2Cl)cc([N+](=O)[O-])c1 72023806 NGRHUOPPBOKCDW-UHFFFAOYSA-N 427.638 4.074 5 20 IIBD C[C@@H](OC(=O)/C=C\c1ccccc1[N+](=O)[O-])C(=O)N(c1nccs1)C1CCCCC1 96935689 KJCNDQXWRPOACA-QYMJWVLRSA-N 429.498 4.362 5 20 IIBD CCn1c(SCC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1C 108162858 HFBGUZZUDBVTKZ-HNNXBMFYSA-N 425.514 4.151 5 20 IIBD COc1ccc([C@H](Nc2ccc(F)cc2[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 301456774 HRRKMJLSXFFZDG-NRFANRHFSA-N 430.457 4.348 5 20 IIBD O=[N+]([O-])c1cncc(Br)c1N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 301940524 UIQLUGYWQMQHEZ-FUHWJXTLSA-N 431.334 4.243 5 20 IIBD Cc1csc([C@H](C)CNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])n1 302115682 CPAYQNXVGQQDCZ-CYBMUJFWSA-N 432.527 4.376 5 20 IIBD COc1ccc(S(=O)(=O)Nc2nc3c(s2)C[C@@H](c2ccccc2)CC3)cc1[N+](=O)[O-] 409575131 QCOMLQBZVLGGGM-AWEZNQCLSA-N 445.522 4.133 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])N1CCN(C(c2ccccc2)c2ccccc2)CC1 410160322 YGMFPSIFHPAZMT-UHFFFAOYSA-N 430.508 4.212 5 20 IIBD Cc1c(NC(=O)c2nn(C(C)C)c(=O)c3ccccc23)cc(Br)cc1[N+](=O)[O-] 431177935 ZWISUXTWNORWBW-UHFFFAOYSA-N 445.273 4.209 5 20 IIBD C[C@H]1C[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCN1Cc1ccccc1 431495809 KVWOJTSAMUWVMZ-KBXCAEBGSA-N 432.318 4.140 5 20 IIBD COc1ccc([C@@H]2NC(=O)N([C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1Br 431950568 MBCGCJUKCSSIBJ-GTNSWQLSSA-N 448.273 4.028 5 20 IIBD CC(C)(C)c1ccccc1C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 433707174 LWDZPYGLUANTCQ-UHFFFAOYSA-N 445.522 4.434 5 20 IIBD C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)[C@@H](OC1CCOCC1)c1ccccc1 437312181 WOIPLCBXGFBTEN-OPAMFIHVSA-N 430.526 4.129 5 20 IIBD CC[C@@H](c1ccncc1)N(CC)S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 439227106 WEISZFCXFSCYIM-INIZCTEOSA-N 442.335 4.223 5 20 IIBD CSC1(CN[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCOCC1 439639976 LDUNWTRJTFLJRO-LJQANCHMSA-N 449.960 4.430 5 20 IIBD CC(C)(C)[C@H](Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])c1nc(-c2nc[nH]n2)no1 441954505 PRKFERNLTHDACP-GOSISDBHSA-N 447.455 4.193 5 20 IIBD CCCNC(=O)Cc1noc(-c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)n1 445399636 DGZIUIYKSSPIAD-UHFFFAOYSA-N 446.847 4.168 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F 446356971 GMTGUIUHXGIBLS-HNNXBMFYSA-N 435.761 4.499 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1[N+](=O)[O-])c1ccccn1 448196298 JLKBAOQHMMANPB-WCAVRKLYSA-N 449.555 4.252 5 20 IIBD Cc1ccccc1[C@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@@H](C)CO1 460409708 XJDOKSSAGCWNHS-UQBPGWFLSA-N 426.516 4.452 5 20 IIBD O=[N+]([O-])c1ccc2[nH]nc(-c3nc(-c4ccc5nc(-c6cscn6)[nH]c5c4)no3)c2c1 463166281 ZVSMGXGLJIPLEH-UHFFFAOYSA-N 430.409 4.188 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N(C[C@@H]3CCOC3)C3CC3)c([N+](=O)[O-])c2)c(C)c1 463470418 PVZDCHZKKJEYGJ-KRWDZBQOSA-N 445.541 4.018 5 20 IIBD O=C(NCCc1cc(Br)ccc1F)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 463666237 RLZLXPMDQZKBHO-UHFFFAOYSA-N 435.171 4.488 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@H]2CCN(CC3CCCC3)C2)cc1[N+](=O)[O-])c1ccccn1 464337821 OZHZBBKAHPPHBX-PXNSSMCTSA-N 437.544 4.157 5 20 IIBD C[C@@H]1CCN(CCOc2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 465180827 BHLUJOZMOZCHAI-HZPDHXFCSA-N 447.919 4.375 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)c1 465281195 UQHMAYGVOHVCNX-UHFFFAOYSA-N 430.877 4.076 5 20 IIBD O=C(C[C@@H]1CCCCCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccccc1 467532276 NTCLIDPUHMLGDH-FQEVSTJZSA-N 432.480 4.438 5 20 IIBD CCN(C(=O)c1cc(NC(=O)NCCc2ccccc2[N+](=O)[O-])ccc1Cl)C(C)C 467973384 BWRLCJHZDQPNDR-UHFFFAOYSA-N 432.908 4.483 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N(CCC(F)(F)F)CC(F)(F)F 468543305 NTRDQGVMUBOOKL-UHFFFAOYSA-N 427.345 4.155 5 20 IIBD Cc1cnn(Cc2ccccc2F)c1NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 470187766 JRLKIXZFROEVMJ-ZDUSSCGKSA-N 432.839 4.347 5 20 IIBD CCN(CC)CCO[C@@H]1CCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 472744211 CBEQQIUQFXWKAZ-JOCHJYFZSA-N 442.516 4.352 5 20 IIBD COC(=O)[C@@H]1CCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C[C@H]1C 475389505 IZRVKOUSKIZCCW-ZTQAJYAQSA-N 445.903 4.059 5 20 IIBD CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cc1 475560410 NTKISGZSICAFRN-QGZVFWFLSA-N 442.516 4.389 5 20 IIBD CCOc1cc(N2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc([C@H]4C[C@@H]4C)o3)CC2)ccc1[N+](=O)[O-] 477367128 SZLJAEGWCOYBSR-DSLXNQLJSA-N 439.512 4.162 5 20 IIBD Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1F 477444498 DTFGMIKPDZFRDV-GJZGRUSLSA-N 427.476 4.342 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(OC(F)F)c2cccnc12 479536171 CIKQDOMHUYMJFC-UHFFFAOYSA-N 429.788 4.199 5 20 IIBD CC(C)n1c([C@H]2CCCN2C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)nc2ccccc21 479945876 IGONYZZJVLBZKL-OAQYLSRUSA-N 449.511 4.009 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCC(O[C@@H]4CCOC4)CC3)cc2[N+](=O)[O-])cc1 480214549 ONUVTIVEORDRKG-LJQANCHMSA-N 442.537 4.465 5 20 IIBD CCOC(=O)C(C)(C)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 480287587 DTDOONIXNKFVSK-UHFFFAOYSA-N 431.411 4.447 5 20 IIBD Cc1ccccc1-c1noc([C@@H](C)N2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)n1 481193240 SDARWOXHSKFVDX-MRXNPFEDSA-N 447.499 4.103 5 20 IIBD Cn1nc2ccccc2c1C(=O)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 484014447 UYECCZWWEBPOOX-UHFFFAOYSA-N 428.408 4.180 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 485228331 FQAFEWJCDUQBBH-HNNXBMFYSA-N 449.960 4.386 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)cc1SC 486531838 YESICZFBQHJGEM-QGZVFWFLSA-N 440.880 4.332 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cccc(Cl)c2Br)cc([N+](=O)[O-])c1 486857654 QWTXEIJGLZPFCN-UHFFFAOYSA-N 427.638 4.440 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1(c2cccc(OC)c2F)CCOCC1 487726586 SQTBWTWEOUZXAT-QGZVFWFLSA-N 430.476 4.133 5 20 IIBD CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)s3)o2)c([N+](=O)[O-])c1 488809183 MJUZJKYCVIZZLP-UHFFFAOYSA-N 440.890 4.489 5 20 IIBD O=C(c1ccc(-c2noc(C(F)(F)F)n2)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 492912174 LYLOFEPHKCBJQZ-UHFFFAOYSA-N 432.358 4.468 5 20 IIBD O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 496382695 VWDXWYXODBWYJE-SFHVURJKSA-N 438.465 4.088 5 20 IIBD O=[N+]([O-])c1ccc([C@H]2SCCN2S(=O)(=O)c2cc(Cl)sc2Cl)cc1 497970950 SEFQJKHPKZOHMU-CYBMUJFWSA-N 425.340 4.399 5 20 IIBD O=C(NCC1(c2ccc(F)cc2Cl)CC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 498314669 TUBMHNJWIRPHSJ-UHFFFAOYSA-N 431.895 4.452 5 20 IIBD CSc1ccc(C(=O)Nc2cccc(C(=O)N3CCSCC3)c2C)cc1[N+](=O)[O-] 499520302 NMBNCQKWNULMFM-UHFFFAOYSA-N 431.539 4.066 5 20 IIBD O=[N+]([O-])c1cncc(Br)c1N1CCO[C@H](c2cccc(Br)c2)C1 500252960 LJDFZJFONBLVDI-AWEZNQCLSA-N 443.095 4.093 5 20 IIBD Cn1ncc([N+](=O)[O-])c1C(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCC2 501183958 BGLDMEOYZLVYGF-UHFFFAOYSA-N 425.495 4.408 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 502539889 ULELSDIOIBVESO-UHFFFAOYSA-N 426.498 4.147 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@H](Oc2ccccc2Cl)C1 504611583 HPUGJBXICYRDSJ-KRWDZBQOSA-N 426.860 4.118 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCO[C@H](c3ccccc3)C2)cc1[N+](=O)[O-])c1ccccn1 506128349 DLZLKQPNZMOFHO-SBUREZEXSA-N 432.480 4.377 5 20 IIBD Cc1nnc(Sc2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3C)c(C)c2)s1 509540696 LBHCAXGCLNEPDI-UHFFFAOYSA-N 436.540 4.324 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@@H](CO)C2CCCCC2)cc1[N+](=O)[O-])c1ccccn1 509808032 JTUMDTOQZOIUGX-LPHOPBHVSA-N 426.517 4.082 5 20 IIBD COc1cc(CCNC(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)c([N+](=O)[O-])cc1OC 511321166 KJQYGOPSLHFADM-OAQYLSRUSA-N 431.464 4.134 5 20 IIBD CCOc1c(Br)cc(C(=O)N2CCCc3c2cccc3[N+](=O)[O-])cc1OC 513836028 YZMMBTFZBSRNNI-UHFFFAOYSA-N 435.274 4.358 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccc(Cl)s2)cs1 514607505 CCMWHIYPDHUQDP-UHFFFAOYSA-N 436.902 4.192 5 20 IIBD CCCOc1cc(NC(=O)c2cnc3c(c2)c(C)nn3C)c([N+](=O)[O-])cc1OCCC 514931181 FMZPZNWYAQGAEY-UHFFFAOYSA-N 427.461 4.015 5 20 IIBD C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 517084345 LRQWIKHMTINTPG-XLKFXECMSA-N 449.373 4.180 5 20 IIBD C[C@H]1C[C@@H]1c1ccc(CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C2CC2)o1 518112298 NPOUHZOLJHOTRG-NHYWBVRUSA-N 449.410 4.042 5 20 IIBD CC(C)N(Cc1ccc(F)cc1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 518212949 OJVDDTQHKNETBR-UHFFFAOYSA-N 431.283 4.096 5 20 IIBD COc1ccc([C@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccc(C)cc2)cc1 518588355 HLCWOIBRWDRYPL-JOCHJYFZSA-N 433.464 4.065 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 519075804 AFCSNEYFODGUNO-INIZCTEOSA-N 447.495 4.213 5 20 IIBD Cc1nn(-c2ccccc2)c2sc(C(=O)N3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc12 522860897 HWFCHWPIKHCZQQ-OAHLLOKOSA-N 448.508 4.025 5 20 IIBD Cc1ccc(NCCCNC(=O)c2ccccc2OCc2cscn2)c([N+](=O)[O-])c1 523517777 VNRRHYLIVMPEIO-UHFFFAOYSA-N 426.498 4.171 5 20 IIBD O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1nn(-c2ccccc2F)c2c1CCC2 523833250 NCXBBVHSFYVYPH-UHFFFAOYSA-N 432.415 4.051 5 20 IIBD COc1ccc(CNC(=O)NCc2ccc(OCc3cccc(F)c3)cc2)cc1[N+](=O)[O-] 524264588 SJFPZKGVLFOABD-UHFFFAOYSA-N 439.443 4.321 5 20 IIBD O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N(CC(F)(F)F)c1ccc(Br)cc1 525798164 VQNCIWQMWWLOJT-UHFFFAOYSA-N 447.163 4.295 5 20 IIBD Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 533516761 IJSMTPPZPXBNHY-YKSBVNFPSA-N 445.523 4.473 5 20 IIBD O=C(NCCCCn1ccnc1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 534266627 SIVGFICRFQTZLG-UHFFFAOYSA-N 427.892 4.267 5 20 IIBD COc1cc(C(=O)NCc2csc(O)n2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 534800007 CIFCBOHMQWDBAZ-UHFFFAOYSA-N 435.845 4.141 5 20 IIBD O=C([C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c2ccccc2O1)N1CCCCC1 536321993 ZHUSKUZLXANZAE-QFIPXVFZSA-N 448.479 4.030 5 20 IIBD CCN(Cc1nc(O)c2ccccc2n1)C(=O)c1cc([N+](=O)[O-])ccc1SC(C)C 538193873 GLRZIPKXHMRFMU-UHFFFAOYSA-N 426.498 4.406 5 20 IIBD CCN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC1CCN(c2ccccn2)CC1 538720706 PLQAWVYALVSMDN-UHFFFAOYSA-N 434.544 4.129 5 20 IIBD Cc1cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)nn1-c1ccc(Cl)cc1Cl 539651990 BIEZQYNUIJNLFR-UHFFFAOYSA-N 435.223 4.377 5 20 IIBD Cc1cc(-c2noc([C@H](C)NCCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2)ccc1F 543545915 VMXFMKXEUPMNFW-AWEZNQCLSA-N 427.436 4.080 5 20 IIBD CC(C)(C(=O)NCCc1nc(-c2cccc(Cl)c2)no1)c1ccc([N+](=O)[O-])cc1F 545832070 MDJIDABCLHKFNW-UHFFFAOYSA-N 432.839 4.074 5 20 IIBD COc1ccccc1C1(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CCC1 546133731 KDZBTNZIOXBMEJ-UHFFFAOYSA-N 438.402 4.396 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1nc(Cc2ccc(OCc3ccncc3)cc2)no1 546327056 BGGIEXBOGJOMLJ-UHFFFAOYSA-N 431.452 4.197 5 20 IIBD COc1ccccc1OCc1ccc(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)o1 547085194 PSNQZJIIEFWIKG-UHFFFAOYSA-N 436.424 4.480 5 20 IIBD CCc1c(NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)nnn1Cc1ccc(F)cc1 549245547 RKKVUIFKDJYAFQ-AWEZNQCLSA-N 426.452 4.127 5 20 IIBD Cc1n[nH]cc1CCCNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 551382353 UXNJMZBVUOWHCE-UHFFFAOYSA-N 427.892 4.254 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F 554730565 UXYQBLYSCZHMOM-MRXNPFEDSA-N 431.798 4.248 5 20 IIBD Cc1cccc([C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c2ccccn2)c1 556527139 UMFVEJGYJZTLMM-QFIPXVFZSA-N 446.507 4.440 5 20 IIBD CCNC(=O)COc1ccc(CNc2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1OC 557512024 UGXVDVLTPZSGKA-UHFFFAOYSA-N 428.272 4.037 5 20 IIBD CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br 557762611 XUKHAIJVNZMFHH-GDIGMMSISA-N 433.302 4.438 5 20 IIBD O=[N+]([O-])c1ccc(C(F)(F)F)c(-c2nc(Cc3cc(Br)cnc3O)no2)c1 559958903 KPMYVSJLIVDMAW-UHFFFAOYSA-N 445.151 4.118 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC1(c2cccc(Br)c2)CC1 561569561 SJBKIDAJJWAOAT-UHFFFAOYSA-N 432.318 4.273 5 20 IIBD O=C(NCc1ccncc1OC[C@@H]1CCOC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 573238541 LJZIVBVNLSEDBQ-QGZVFWFLSA-N 448.479 4.079 5 20 IIBD CCSc1cccc(Br)c1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 578390343 NAPRXDNHNCWQTR-UHFFFAOYSA-N 439.287 4.493 5 20 IIBD CCOC(=O)c1cnc(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)[nH]1 590355940 DAZRIZCGKCRODW-UHFFFAOYSA-N 443.847 4.012 5 20 IIBD CC[C@@]1(c2ccc(NCc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)CCC(=O)NC1=O 600852347 LSLUYEZRNGHMDR-FQEVSTJZSA-N 435.402 4.310 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)Nc1nnc(SCc2ccc(Cl)cc2)s1 603564622 RPUSCSNWWWFMMS-UHFFFAOYSA-N 436.902 4.410 5 20 IIBD CC(=O)N[C@@H](CC(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F)c1ccc(C)cc1 603741919 DQWVPXYWHSBHPY-SFHVURJKSA-N 437.418 4.062 5 20 IIBD O=[N+]([O-])c1ccccc1OCCSc1nc(O)c2cnn(-c3cccc(Cl)c3)c2n1 603910557 VAUHWTCIWRZQQF-UHFFFAOYSA-N 443.872 4.254 5 20 IIBD CCOc1cc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)c([N+](=O)[O-])cc1OCC 603952889 NMISBWQQWUCCKQ-UHFFFAOYSA-N 439.424 4.490 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 604520833 VINDZXFKVZFVMI-FDDCHVKYSA-N 427.501 4.032 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Nc1ccc(Sc2nncs2)c(Cl)c1 609108262 WXBLLXAOVHXCHX-UHFFFAOYSA-N 446.894 4.191 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCCO[C@H](c2ccccc2)C1 609230696 OVSDAAJRLAFPRY-IBGZPJMESA-N 437.418 4.406 5 20 IIBD O=C(c1ccn(-c2ccc(Cl)c(Cl)c2)n1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 609296262 OVDXHUWEKJZZHP-UHFFFAOYSA-N 446.294 4.050 5 20 IIBD COc1cc(CNc2cccc(Cn3cncn3)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 609634111 BFURYXKZYMCFQX-UHFFFAOYSA-N 445.479 4.434 5 20 IIBD COC(=O)c1c(C)cccc1S(=O)(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609761161 HWZKBCJMPAUTDR-UHFFFAOYSA-N 442.449 4.283 5 20 IIBD C[C@@H](SCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(=O)Nc1ccc(Cl)cc1 609770881 SCZGGQLSSGGWBI-GFCCVEGCSA-N 435.889 4.307 5 20 IIBD O=C(CCSCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Nc1cccc(Cl)c1 609770962 VGURLIKGCZNWBB-UHFFFAOYSA-N 435.889 4.308 5 20 IIBD Cn1cc(C(=O)Nc2ccc(OCCc3ccccc3)nc2)c(-c2ccc([N+](=O)[O-])cc2)n1 609908235 HQFSAEMOKMZEIQ-UHFFFAOYSA-N 443.463 4.264 5 20 IIBD CCc1cc(CNC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)on1 610154487 MXFLRSPUAPHLQU-UHFFFAOYSA-N 425.466 4.028 5 20 IIBD CC[C@@H](CO)NC(=O)Cc1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 610911213 OOLCGFRIFHJBBF-SFHVURJKSA-N 439.537 4.365 5 20 IIBD CC(C)(C)OC(=O)c1ccccc1C1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 615238050 FHFCSPFORNTUOG-UHFFFAOYSA-N 439.512 4.029 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cccc(C)c3[N+](=O)[O-])cc2)cc1 619825437 VXQMABIXRUYZRX-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD CC(C)[C@@H](OC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C(N)=O 725918285 HJYDPGHQJISCLQ-UMDONVSZSA-N 439.493 4.188 5 20 IIBD Cc1c(OS(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)cccc1[N+](=O)[O-] 727837680 UNUGEWXAKITEHA-UHFFFAOYSA-N 437.367 4.088 5 20 IIBD COc1cc(F)cc2sc(NC(=O)c3cc([N+](=O)[O-])ccc3Br)nc12 728849160 KNDHKNFYQNYFGQ-UHFFFAOYSA-N 426.223 4.367 5 20 IIBD O=C(OCc1c(F)cccc1[N+](=O)[O-])[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 728994145 JSZRMWMIDWKJDD-NSHDSACASA-N 427.215 4.137 5 20 IIBD Cn1cc(C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c(-c2ccccc2Cl)n1 731261030 PNIOQERDIKFSPY-UHFFFAOYSA-N 439.815 4.056 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 731612692 ZAKLDOUGZDJBRG-IBGZPJMESA-N 440.496 4.456 5 20 IIBD O=[N+]([O-])c1ccc(I)c(-c2nc(Cc3ccc(Cl)cc3)no2)c1 731806921 UUEZHNWCNFXMAT-UHFFFAOYSA-N 441.612 4.494 5 20 IIBD CCc1ccc(OC(=O)CSc2nnc(C)n2-c2cc(C)ccc2C)c([N+](=O)[O-])c1 734736572 BOMAWLAMLSCIQK-UHFFFAOYSA-N 426.498 4.361 5 20 IIBD COc1ccc(CNC(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)cc1[N+](=O)[O-] 735574446 FJOFHZOALBEKPV-UHFFFAOYSA-N 434.424 4.411 5 20 IIBD Cc1nc(Cc2ccccc2)sc1[C@@H](C)OC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 739590992 GXAPVAMLTUPAEE-OAHLLOKOSA-N 449.492 4.449 5 20 IIBD Cc1nnc(-c2ccc(NC(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)cc2)o1 740688074 AWEAMPSHFPMMRM-UHFFFAOYSA-N 432.440 4.067 5 20 IIBD COC(=O)C[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(Cl)c1 743791269 CRNLRDKTGHAVNZ-INIZCTEOSA-N 445.884 4.406 5 20 IIBD COc1ccc(NC(=O)COC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])c1 745350714 MZKGQZMZPPDQNI-LSDHHAIUSA-N 439.251 4.196 5 20 IIBD O=C(OCC(=O)N1CCC[C@@H]2CCCC[C@H]21)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 747956338 GUSBUUFXVTVFFJ-KBXCAEBGSA-N 429.498 4.056 5 20 IIBD Cc1c(CC(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cccc1[N+](=O)[O-] 748466924 IATNGDVNADKNMW-UHFFFAOYSA-N 430.766 4.300 5 20 IIBD Cc1c(C(=O)N(c2ccc(Br)cn2)C(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748622794 HMTFEECHYCPWBP-UHFFFAOYSA-N 437.250 4.333 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(-n2nccc2C(F)(F)F)c1 749307381 ULJWRDBTBIZEKG-UHFFFAOYSA-N 449.341 4.023 5 20 IIBD O=C(OCc1nnc(-c2ccc(Br)o2)o1)c1cccc(Cl)c1[N+](=O)[O-] 750542167 SYEITJJRJZMUGW-UHFFFAOYSA-N 428.582 4.011 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 751164353 ISOSBAWUDSFJQN-HRCADAONSA-N 437.562 4.227 5 20 IIBD O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 751203828 XVTSLUWBRAKANZ-UHFFFAOYSA-N 447.709 4.199 5 20 IIBD O=C(NCCCCCCCN1CCCC1)c1cc(F)cc([N+](=O)[O-])c1Br 754993787 LPGMCHOJCYKSIF-UHFFFAOYSA-N 430.318 4.273 5 20 IIBD Cc1cc(Br)ccc1NC(=O)COC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F 755069138 UTMMYVJUKAODAN-NSHDSACASA-N 439.237 4.090 5 20 IIBD Cc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)ncn1 757229093 MYLGCECIZDIUBX-UHFFFAOYSA-N 445.523 4.082 5 20 IIBD COC(=O)[C@H](Cc1ccc(Cl)cc1)OC(=O)Cn1c2ccccc2c(=O)c2ccccc21 759473096 ARXWSLXLWWAEJL-QFIPXVFZSA-N 449.890 4.136 5 20 IIBD O=C(O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccc(NC(=O)c2cccs2)cc1 759931256 LMGSHYQQVLZHHU-IRXDYDNUSA-N 440.481 4.446 5 20 IIBD COc1ccc(OCCSCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c([N+](=O)[O-])c1 760255377 UFUHJOMFPXVKLQ-UHFFFAOYSA-N 431.426 4.479 5 20 IIBD Cc1ccc2c(Cl)c(C(=O)NS(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)sc2c1 762737835 GYEDOGYYVFZXNI-UHFFFAOYSA-N 438.914 4.074 5 20 IIBD O=C(CN1CCCCCC1)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cc1 764196733 DTVGLMBAKPQBFP-UHFFFAOYSA-N 430.892 4.315 5 20 IIBD C[C@@H](C(=O)N1CCC(O)(c2ccccc2C(F)(F)F)CC1)c1ccc([N+](=O)[O-])cc1F 765094124 CKBMCVGKHFIRHS-CYBMUJFWSA-N 440.393 4.366 5 20 IIBD O=C(OCc1ccc(Oc2ccccc2)nn1)c1ccc(Br)c([N+](=O)[O-])c1 766056203 HQDHOABUFWKPDV-UHFFFAOYSA-N 430.214 4.297 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cn1 770174688 OESKRSCRSYBXAC-UHFFFAOYSA-N 437.250 4.352 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)OCc2cc(=O)oc3cc(O)ccc23)CC1 772448049 UIXHZJMOYPCBAE-UHFFFAOYSA-N 438.436 4.000 5 20 IIBD O=C(OCc1nc(-c2cccc(Cl)c2)no1)c1sc(Br)cc1[N+](=O)[O-] 773598815 NTMHURMJEMNNBK-UHFFFAOYSA-N 444.650 4.479 5 20 IIBD C[C@H](CCNC(=O)OC(C)(C)C)Nc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] 774678319 CAQUQBDULOEXJU-SECBINFHSA-N 428.358 4.359 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2I)c(C)c(C)c1O 774829593 LNVYTMUPBNZQRS-UHFFFAOYSA-N 426.210 4.083 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(NCc3c(Br)cccc3[N+](=O)[O-])cc2)C[C@@H](C)O1 775182157 CADJUNKSQBPHNV-ZIAGYGMSSA-N 448.317 4.219 5 20 IIBD O=c1c2sccc2nc(SC[C@H](O)c2ccc([N+](=O)[O-])cc2)n1Cc1ccccc1 776272436 SXRLNCPXLZFHIU-SFHVURJKSA-N 439.518 4.240 5 20 IIBD COc1cccc(C=C2CCN(C(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)c1 781706704 UFASOVYBYJZRCT-UHFFFAOYSA-N 425.441 4.150 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 783321347 XUJPEXHTFDMYJX-UHFFFAOYSA-N 444.850 4.213 5 20 IIBD CC(C)([C@H](OC(=O)[C@H]1CC(=O)c2ccccc21)c1ccc(Br)cc1)[N+](=O)[O-] 789420722 UNHNWIILAOAXCP-FUHWJXTLSA-N 432.270 4.459 5 20 IIBD Cc1ccc(F)cc1-c1nnc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 791878660 UKUQFBMNSONIKU-UHFFFAOYSA-N 431.405 4.040 5 20 IIBD COCC[C@H](Cc1cccc(Br)c1)C(=O)Oc1ccc(OC)c([N+](=O)[O-])c1 792118519 PFDXPCAIJLIEES-CQSZACIVSA-N 438.274 4.167 5 20 IIBD O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)c1 795343413 KKVVKISKBCDOLY-UHFFFAOYSA-N 448.819 4.391 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)OCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 796171416 FRBDOLZAWZOGQY-UHFFFAOYSA-N 443.456 4.070 5 20 IIBD COc1cc(COC(=O)c2c(OC)cnc3ccccc23)c([N+](=O)[O-])cc1OCC(F)F 801902006 XFMRZDDUZPBFKZ-UHFFFAOYSA-N 448.378 4.161 5 20 IIBD CCCCCCNC(=O)Cc1noc(-c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)n1 809467093 FDPYEAZJSMDIEO-UHFFFAOYSA-N 429.521 4.120 5 20 IIBD C[C@@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810352197 MFNACPJPNMDHRZ-JTQLQIEISA-N 440.681 4.169 5 20 IIBD Cc1ccc([C@H]2C[C@@H](C)N(C(=O)C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)C2)cc1 810406736 FZZRRSBQRYTSEY-HIFRSBDPSA-N 446.301 4.009 5 20 IIBD O=C(CCCOc1ccc2c(c1)OCO2)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811216879 NUODNNVTPUCIIX-UHFFFAOYSA-N 442.449 4.349 5 20 IIBD C[C@H](C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(Br)c1 812610115 SJKVJHTUYROIKE-JTQLQIEISA-N 441.665 4.296 5 20 IIBD C[C@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCCOC2=O)cc1 814305159 FSFOFVPQUCZLNU-KRWDZBQOSA-N 440.500 4.325 5 20 IIBD C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(C(F)(F)F)nc1Cl 815051439 PEBNTTLFPGCEHU-ZETCQYMHSA-N 444.218 4.355 5 20 IIBD CN(CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1)C(=O)OC(C)(C)C 815411211 IKYKMQYUFJATHU-UHFFFAOYSA-N 445.438 4.333 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc(NS(=O)(=O)Cc2ccccc2)c1 817029649 KWRNHAYPMDHZAM-SDNWHVSQSA-N 437.477 4.189 5 20 IIBD CC(C)n1c2ccccc2n2c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3F)nnc12 847236214 FVZMYTHCHFQWOQ-UHFFFAOYSA-N 428.449 4.043 5 20 IIBD CS(=O)(=O)CCSc1nc2cc([N+](=O)[O-])ccc2n1-c1cccc(C(F)(F)F)c1 913589583 ZSCCILZVFYHXBW-UHFFFAOYSA-N 445.444 4.089 5 20 IIBD C[C@H](Oc1ccccc1Cl)C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 914641609 BKDNRVPUGKETRH-MNOVXSKESA-N 427.240 4.239 5 20 IIBD O=Cc1ccc(OCC(=O)N[C@H](c2ccc(Cl)cc2)c2cccs2)c([N+](=O)[O-])c1 917177903 WOYCPEHOLDCQSG-HXUWFJFHSA-N 430.869 4.407 5 20 IIBD C[C@H](OC(=O)CNc1ccccc1[N+](=O)[O-])C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 920605151 XBNQFARDILZCLU-NEPJUHHUSA-N 440.283 4.123 5 20 IIBD CC(=O)NCc1ccc(-c2csc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])n2)cc1 1318376073 LZAFNWRWRKQGRY-UHFFFAOYSA-N 430.873 4.260 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)NCc2ccc(-n3cnc4ccccc43)nc2)cc1[N+](=O)[O-] 1322416779 HTMHOOIHOXXBIL-MRXNPFEDSA-N 430.468 4.198 5 20 IIBD O=c1c2c(-c3cccs3)csc2ncn1Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1 1341251183 AALDBFBSWYRNHS-UHFFFAOYSA-N 437.462 4.193 5 20 IIBD Cc1ccc(-c2nnc(N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)n2C[C@@H]2CCOC2)cc1 1348716885 ALDQSULGAJFFIG-IBGZPJMESA-N 433.512 4.367 5 20 IIBD CC1(C(=O)NC2(c3ccc(NC(=O)Cn4ccc5ccc([N+](=O)[O-])cc54)cc3)CCC2)CC1 1786277084 JNFRPEUTKIJNPR-UHFFFAOYSA-N 446.507 4.484 5 20 IIBD CN(C)c1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])[nH]4)CCC3)cc2)cc1 1790298818 FQBSHBYFQAYCJS-UHFFFAOYSA-N 447.495 4.050 5 20 IIBD CC(C)(F)C(=O)NC1(c2ccc(NC(=O)Cc3cc(F)ccc3[N+](=O)[O-])cc2)CCC1 1792311128 VPWYQSZFUHSOTM-UHFFFAOYSA-N 431.439 4.159 5 20 IIBD Cc1cccc(C)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C2 1800549906 FZLMCSVPMVJNGN-WKCHPHFGSA-N 435.524 4.096 5 20 IIBD Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccsc2)C3)cc(Cl)cc1[N+](=O)[O-] 1800710062 NBGYJJYKSBMING-MUJYYYPQSA-N 433.917 4.184 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1[N+](=O)[O-])c1sccc1Cl 1804343872 LLLNRIHKTVDVBY-PYNLGSQFSA-N 445.928 4.275 5 20 IIBD C/C(=C\c1cccs1)C(=O)N1CCCC2(CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)C1 1804809581 VGWICGQBJVXLLD-JQIJEIRASA-N 443.525 4.198 5 20 IIBD CCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cc([N+](=O)[O-])ccc2F)CC1 1824948259 DNKIRIFNIUSSMC-OAQYLSRUSA-N 447.551 4.332 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC([C@H]2CCCCN2C(=O)C2CCCC2)CC1 1826257597 DEWCCBORZWZRSR-CHHLAKQQSA-N 439.556 4.418 5 20 IIBD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC([C@H]2CCCCN2C(=O)CCC2CCCC2)CC1 1826268004 FHMNHTKDXGBNNW-HXUWFJFHSA-N 430.549 4.127 5 20 IIBD Cc1cc(CCCC(=O)N2CCCC23CN(C(=O)C2CC(C)(C)C2)C3)c([N+](=O)[O-])cc1F 1841507467 GHDAQIJCRXVVHY-UHFFFAOYSA-N 445.535 4.005 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccccc1CN(C)C1CCCCC1 7977082 NKKHHYCDZLBJTF-UHFFFAOYSA-N 426.517 4.419 5 20 IIBD O=C(COC(=O)COc1ccc([N+](=O)[O-])cc1)Nc1c(Cl)cc(Cl)cc1Cl 9607890 UGOICGDQNIILTI-UHFFFAOYSA-N 433.631 4.116 5 20 IIBD Cc1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(Br)c1 10667492 AOSZKDXDJXKNAQ-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD C[C@H](OC(=O)c1cc(Cl)cc(Cl)c1N)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 10960701 YAXDDJTWXABOSB-ZETCQYMHSA-N 432.647 4.321 5 20 IIBD Cc1nc(CSc2ccccc2C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cs1 11595820 ZNYJSHWHXUJJHT-UHFFFAOYSA-N 443.506 4.448 5 20 IIBD O=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 14707016 OSWOTEZZNARVHR-UHFFFAOYSA-N 446.435 4.085 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1csc(-c2cccc(Cl)c2)n1 17980770 CHGDCJDKEGMOIK-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD Cc1cccc(C(=O)Nc2ccccc2C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 18077045 ZYEIDOXYPNHAGN-UHFFFAOYSA-N 444.491 4.118 5 20 IIBD O=C(COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(N2CCCCCC2)cc1 18189109 UQDWJVMXCUXKKQ-UHFFFAOYSA-N 431.876 4.424 5 20 IIBD C[C@H](OC(=O)CCSc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 22038614 SBFAFFXDNNQYOC-NSHDSACASA-N 426.853 4.440 5 20 IIBD COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)Cc1ccc([N+](=O)[O-])cc1)CC2 24445175 RIKSDFXBSJFRRW-HSZRJFAPSA-N 438.505 4.390 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCN(Cc3ccncc3)CC2)cc1[N+](=O)[O-] 28692944 HUMSZLWXFIXPQU-UHFFFAOYSA-N 428.558 4.086 5 20 IIBD Cc1cccc(NS(=O)(=O)c2cc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)ccc2C)c1 28700953 APNLQTBLHCFRIA-UHFFFAOYSA-N 439.493 4.194 5 20 IIBD CCCc1noc(COC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)n1 29383350 LQPPKBDMYGZGPC-UHFFFAOYSA-N 441.465 4.240 5 20 IIBD Cc1cc(C)n2nc(SCc3ccccc3C(=O)Nc3ccc([N+](=O)[O-])cc3)nc2n1 57561799 MICCUYIJIKZBJI-UHFFFAOYSA-N 434.481 4.194 5 20 IIBD O=C(NCc1ccccc1)c1ccccc1OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 60803631 MXCPEAZEFKJEHL-UHFFFAOYSA-N 430.420 4.154 5 20 IIBD CCCCOc1ccc(CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1OC 64883532 BTTPNCWPYZWPFD-UHFFFAOYSA-N 438.484 4.113 5 20 IIBD Cc1cc(C)c(NC(=O)CN(C)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c(C)c1 64907090 QLHNJFNAERONDC-UHFFFAOYSA-N 438.509 4.354 5 20 IIBD COc1ccc(-c2nc(CN3CCN(c4cccc([N+](=O)[O-])c4)CC3)cs2)c(OC)c1 71952350 IFKBXGBHCDKFLY-UHFFFAOYSA-N 440.525 4.058 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSc1nnc(Nc2ccccc2F)s1 261440130 MJHYXSGPFYAHIE-UHFFFAOYSA-N 447.473 4.419 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1Sc1nnc(-c2ccc(Cl)cc2)o1 301244067 NLFHZVCLBJYICY-UHFFFAOYSA-N 447.828 4.446 5 20 IIBD Cc1cnc(Sc2nnc(CN3CCCC3)n2-c2ccc(Cl)cc2)c([N+](=O)[O-])c1 301414240 BMOCXTACCCCJIH-UHFFFAOYSA-N 430.921 4.279 5 20 IIBD Cc1ccc(NC(=O)C2CCN(c3cc(C)c([N+](=O)[O-])cc3Br)CC2)nc1 302670159 KIZZGNGCPOJMAX-UHFFFAOYSA-N 433.306 4.224 5 20 IIBD CCn1cc(CC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c2ccccc21 303062906 VFBJWLBWBUUIFG-FQEVSTJZSA-N 437.496 4.311 5 20 IIBD CCc1cccc(CC)c1-n1c(SCCn2cc([N+](=O)[O-])cn2)nnc1-c1cccnc1 303952114 VZBJDZAPPDYJFI-UHFFFAOYSA-N 449.540 4.351 5 20 IIBD COc1cc(-c2noc(CSCCC(=O)Nc3ccccc3[N+](=O)[O-])n2)ccc1C 409854914 ALYOQOSJQUUIAJ-UHFFFAOYSA-N 428.470 4.224 5 20 IIBD O=C(NCC1(c2ccc(F)cc2)CCOCC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 425999189 CDIXFFIZNZWCLZ-UHFFFAOYSA-N 427.476 4.156 5 20 IIBD CC(C)n1c([C@H]2CCCN2c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])nc2ccccc21 433759964 QTFFUBFRMNMPQI-LJQANCHMSA-N 428.514 4.270 5 20 IIBD Cn1cnnc1-c1cccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 436085038 RYCUWWLGLYEYBG-UHFFFAOYSA-N 431.402 4.007 5 20 IIBD C[C@@H]1CCC[C@@](CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)(N(C)C)C1 436155149 RVJLECZJDXCOMU-JBEBIEQOSA-N 427.495 4.200 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1(c2noc([C@@H]3CCOC3)n2)CCCCCC1 439298392 AMKHZPRWERVHSU-OAHLLOKOSA-N 429.477 4.161 5 20 IIBD CCCCCn1nc(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)c2ccccc2c1=O 440628166 WBJYLXIXPCVUAY-UHFFFAOYSA-N 431.452 4.295 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2cccc(OC(F)(F)F)c2)cc1OC 440799748 UYRAGFZGDWLMSV-NSHDSACASA-N 428.363 4.392 5 20 IIBD C[C@H]1CN(Cc2ccccc2NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C)O1 443851019 HLCWKDXGNPRFAN-OKILXGFUSA-N 437.418 4.475 5 20 IIBD C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N(C)Cc1ccccc1 444005925 ZHFXOCFYGDCEMO-OAHLLOKOSA-N 435.474 4.210 5 20 IIBD COc1ccc(C(C)(C)c2noc(-c3cc(O)nc4ccc([N+](=O)[O-])cc34)n2)cc1OC 445670312 PAARGRVWJWWDRK-UHFFFAOYSA-N 436.424 4.242 5 20 IIBD Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 446128912 BIIVVANGFHDAGB-UHFFFAOYSA-N 446.301 4.083 5 20 IIBD COc1ccc(C(=O)N2CCC(Nc3cccc(Br)c3)CC2)cc1[N+](=O)[O-] 447689049 JMNYNOXMXKAMSH-UHFFFAOYSA-N 434.290 4.083 5 20 IIBD CC(C)(C)N(Cc1cccc(F)c1)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 460452035 ROFDYTILPSCXTE-UHFFFAOYSA-N 429.448 4.249 5 20 IIBD COc1ccccc1-c1nnc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1C[C@@H]1CCOC1 461590053 BCNJKFWXHFBFHL-KRWDZBQOSA-N 449.511 4.067 5 20 IIBD CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1cccc([N+](=O)[O-])c1C 462225248 UROQFHNXJQPCDV-UHFFFAOYSA-N 433.530 4.089 5 20 IIBD CC[C@@H]1CN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCCO1 466742406 GEMZVSLQQRCTRG-JOCHJYFZSA-N 434.496 4.018 5 20 IIBD CCn1c(S[C@H](C)c2nnnn2C2CCCCC2)nnc1-c1ccc([N+](=O)[O-])cc1 468465313 DOWMAZZYMOLLQH-CYBMUJFWSA-N 428.522 4.218 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC2(CCOCC2)O1 468517041 OGRZLPGVRQNXKC-INIZCTEOSA-N 428.510 4.156 5 20 IIBD O=C(Nc1cccc(OCc2ccc(F)cc2)c1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 472728568 URYXLGFJQYXLKK-UHFFFAOYSA-N 427.363 4.029 5 20 IIBD CO[C@]1(C)CCCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 473334833 QPTVROZCYPPKGK-OAQYLSRUSA-N 431.876 4.142 5 20 IIBD Cn1c(O)nc2ncc(-c3cccc(C(=O)NCCCCc4ccc([N+](=O)[O-])cc4)c3)cc21 475238046 NDWNIWXEMNHNSA-UHFFFAOYSA-N 445.479 4.002 5 20 IIBD Cn1cnc([N+](=O)[O-])c1CSc1nc2cc(Cl)ccc2c(=O)n1C1CCCCC1 476500876 SBRPLLDYGOFPOH-UHFFFAOYSA-N 433.921 4.489 5 20 IIBD CCOc1cc(Br)ccc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 478724564 ZTSRNLDGEVHKAR-UHFFFAOYSA-N 431.246 4.194 5 20 IIBD C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(NC(=O)c2ccccc2)c1 480382539 VRIWLXXEABHRQK-CQSZACIVSA-N 429.436 4.214 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2CC[C@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 480509372 IWTGZBBDZXRRLH-IBGZPJMESA-N 445.475 4.303 5 20 IIBD CCN(Cc1ccccc1)C(=O)[C@@H](C)Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC 481350748 VHZWPYYBXRIDQZ-MRXNPFEDSA-N 439.541 4.403 5 20 IIBD CCCNC(=O)c1ccc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1Cl 481690725 SJLKBAXHUIGVAX-UHFFFAOYSA-N 439.299 4.406 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 482404657 WPEPTTBARRQHML-HNNXBMFYSA-N 433.333 4.342 5 20 IIBD Cc1ccccc1COc1cccc(NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)c1 482424241 REQLFNOSJRSWEW-UHFFFAOYSA-N 440.477 4.138 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)cc(Br)c1O 482599086 DQICWDKYNUCSKJ-UHFFFAOYSA-N 441.303 4.362 5 20 IIBD O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)Nc1ccc(Oc2ccccc2C(F)(F)F)cc1 485964149 DBVCDDADZJASKR-UHFFFAOYSA-N 433.342 4.206 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3nc(-c4nccn4C)cs3)cc2[N+](=O)[O-])C1 488978324 KKIHTCUWULRILE-ZIAGYGMSSA-N 440.529 4.186 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@@H]3CCC[C@@H]3OCc3ccccc3)cc2)c(C)c1[N+](=O)[O-] 491188923 RVWJKFUZSYEBJG-PKTZIBPZSA-N 448.523 4.324 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cc2c(cc1F)NC(=O)CC2 492700119 XLDMNKPVASTGQI-UHFFFAOYSA-N 443.378 4.368 5 20 IIBD CCN(CC)C(=O)Nc1ccc([C@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1 493440441 ASMRLCIEHPISQV-INIZCTEOSA-N 448.545 4.125 5 20 IIBD O=C(Nc1ccccc1)c1ccc(Cl)c(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1 498243546 QBOMNROKLWJQSF-UHFFFAOYSA-N 439.811 4.482 5 20 IIBD COc1ccc(Sc2ccc(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)cc2Cl)cc1 499450013 AGWFBJDUOMEIHZ-UHFFFAOYSA-N 445.884 4.208 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1c1ncc(Cl)cc1[N+](=O)[O-] 500866038 KMVDJMPTDJWHMR-LJQANCHMSA-N 427.892 4.083 5 20 IIBD COc1ccc(C)cc1C1(CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])CCOCC1 500994674 LPWHNYCHQZAUKI-UHFFFAOYSA-N 430.526 4.112 5 20 IIBD C[C@H](NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1cccc(Cl)c1Cl 502241259 HVJMLKOPVFPEBF-LBPRGKRZSA-N 436.295 4.270 5 20 IIBD CNC(=O)COc1cccc(Oc2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])c1 502793315 LUOOOMNUXJLTLU-UHFFFAOYSA-N 435.436 4.073 5 20 IIBD CCOC[C@@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 505159849 SEHWXNSNFXWBDL-MRXNPFEDSA-N 442.537 4.436 5 20 IIBD C[C@@H]1CCCCN1C[C@H]1CCCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 505936367 UNKVYVNJOXJOGL-HZPDHXFCSA-N 443.466 4.263 5 20 IIBD COc1ccc(CN(C)[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC(F)F 506145168 BGCRNAZMBVOAFR-LBPRGKRZSA-N 434.399 4.448 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1cccc(CSC2CCCC2)c1 506679020 BEELQKMRZMAELJ-UHFFFAOYSA-N 441.553 4.410 5 20 IIBD COc1cc(C(=O)N[C@@H](C)c2ccc(F)c(Br)c2)cc([N+](=O)[O-])c1OC 507694082 KCWCNMWFOCUGTG-VIFPVBQESA-N 427.226 4.005 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCN(c2cncc3ccccc23)CC1 507910017 UPTBPVYMZRQZBZ-UHFFFAOYSA-N 445.504 4.229 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)c(Cl)c1 511690001 XLVMYKTZHDRDOD-ZDUSSCGKSA-N 447.296 4.260 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3ccccc3Cn3ccnc3)cc2[N+](=O)[O-])C1 513838768 XOGYLQTZNOFGJK-RTBURBONSA-N 447.539 4.252 5 20 IIBD Cc1c(Br)cc(C(=O)N[C@H](C)[C@@H]2OCCc3sccc32)cc1[N+](=O)[O-] 515320511 QSTMLKOUAOFQGU-HWPZZCPQSA-N 425.304 4.160 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CSc3nnc(C4CC4)n3Cc3ccccc3)n2)cc1 515409874 OFWHVLUUGKQXAO-UHFFFAOYSA-N 434.481 4.454 5 20 IIBD COc1ccc(CNC(=O)NCc2cccc(NC(=O)c3ccc(C)cc3)c2)cc1[N+](=O)[O-] 518367684 XUFIFSMXQRSACA-UHFFFAOYSA-N 448.479 4.164 5 20 IIBD CC(C)c1ccc(C2(CNC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)CCCC2)cc1 518648659 ZEMILKHVXXZHRP-UHFFFAOYSA-N 444.553 4.364 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)c([N+](=O)[O-])c1 518788062 IVOFVPUTKLMOAW-UHFFFAOYSA-N 446.872 4.005 5 20 IIBD O=C(Nc1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccc(Cl)cc1[N+](=O)[O-] 520347054 LCJQMONHJQAYCY-UHFFFAOYSA-N 430.869 4.474 5 20 IIBD COc1ccc(CNC(=O)Nc2ccc(CC(=O)N(C)c3ccccc3)cc2)cc1[N+](=O)[O-] 520410382 GLKKEFDAIUYQLN-UHFFFAOYSA-N 448.479 4.131 5 20 IIBD Cc1cc(=O)c(C(=O)N2CCC[C@@H]2c2ccccc2Cl)nn1-c1ccccc1[N+](=O)[O-] 520468079 MEZPQYYZGAZWQC-QGZVFWFLSA-N 438.871 4.080 5 20 IIBD COc1cc(OCC(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)ccc1[N+](=O)[O-] 520544093 JRQVRJRHEYFCGV-FQEVSTJZSA-N 445.475 4.412 5 20 IIBD Cn1c([C@@H]2CCCCN2S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])nc2ccccc21 521044289 QAYIAHBEAFCZPB-KRWDZBQOSA-N 434.905 4.051 5 20 IIBD CCOC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc([N+](=O)[O-])c1C 522507922 LLOCXKAXODBQLV-UHFFFAOYSA-N 433.269 4.188 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cc(C(N)=O)ccc2Cl)cc1 522735923 IHCHYKVVYJYQIB-UHFFFAOYSA-N 441.827 4.400 5 20 IIBD COc1ccc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c(OC)c1 522881934 ZGIZNOQEKJVTOG-UHFFFAOYSA-N 437.239 4.357 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3nc(C)cs3)c2)cc1OC 523278894 FTTDLABZHYYPDW-UHFFFAOYSA-N 443.481 4.313 5 20 IIBD O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 523716530 FWNSPGQYULZPJZ-SFHVURJKSA-N 436.295 4.464 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 523956867 GVUIJPMMMPHSRM-SFHVURJKSA-N 430.848 4.384 5 20 IIBD COc1ccc(Oc2ccc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3OC)cc2)cc1 524965755 SLZQEUMGZGJRGI-UHFFFAOYSA-N 430.438 4.205 5 20 IIBD O=C(NC[C@@H]1CCCCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccccc1 533035712 TXMFERFMYSEIQR-NRFANRHFSA-N 449.511 4.469 5 20 IIBD O=C(CN[C@H](C(=O)Nc1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] 533351267 OMJWVGNOCWTEFA-NRFANRHFSA-N 438.871 4.156 5 20 IIBD CCOC(=O)c1c(C)[nH]c(C(=O)CSCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1C 535509555 ZNJIXYZJNBKVKY-UHFFFAOYSA-N 443.481 4.488 5 20 IIBD COC(=O)CCSc1cccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 535935166 HXIFCHXQPFLWGU-UHFFFAOYSA-N 429.498 4.103 5 20 IIBD CCOc1cccc(CNC(=O)CSCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1 536302450 NTMGCLNMEGODKX-UHFFFAOYSA-N 427.482 4.198 5 20 IIBD O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1cc(N2CCCC2=O)ccc1Cl 536326086 ZIJXEKHNSKEMMD-UHFFFAOYSA-N 425.832 4.017 5 20 IIBD O=[N+]([O-])c1ccc2oc(CN3[C@H]4CC[C@H]3CC(O)(Cc3ccc(F)cc3F)C4)nc2c1 538120566 GWZZXJYXABTNQT-IRXDYDNUSA-N 429.423 4.115 5 20 IIBD Cn1cnc(-c2cccc(NC(=O)CSc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)n1 541250775 BYBGWGJVDHYNRC-UHFFFAOYSA-N 437.403 4.140 5 20 IIBD CC(C)[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 541330483 SEGJDKQQZGNOLJ-SFHVURJKSA-N 430.448 4.374 5 20 IIBD COc1ccc(NC(=O)C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 542085092 VDQAZNIIJZUODF-JTQLQIEISA-N 426.256 4.068 5 20 IIBD CC(C)n1cc([C@@H](C)N[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cn1 543503918 SALLENJKUMREAW-KGLIPLIRSA-N 428.518 4.174 5 20 IIBD Cc1nn(Cc2ccc(-c3nc(-c4ccc(OCC5CC5)nc4)no3)cc2)c(C)c1[N+](=O)[O-] 544676189 PCGZRUXLWWRZHE-UHFFFAOYSA-N 446.467 4.357 5 20 IIBD O=C1CCCN1Cc1ccccc1-c1noc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 544952218 IZNZUASBZSJQPZ-UHFFFAOYSA-N 433.468 4.034 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(Cc2nc(-c3ccccc3)n[nH]2)no1 546499160 QAXSZUVRHZSWAK-NSHDSACASA-N 426.820 4.147 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCOC[C@@H]2[C@H]2CCCCC2=O)cc1[N+](=O)[O-] 546837330 FJIYBPWWEMSHEK-IEBWSBKVSA-N 434.558 4.333 5 20 IIBD CC(=O)N1CCc2c(NC(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)cccc21 547427721 VVJJSYDGBCCKGT-UHFFFAOYSA-N 430.464 4.368 5 20 IIBD COc1ccc(OC2CCN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CC2)cc1 548360769 BAPVYRVUSPVTND-UHFFFAOYSA-N 428.488 4.374 5 20 IIBD C[C@@H](CC(C)(C)c1ccccc1)NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 551744893 GPQLYFFSNMJELD-ZDUSSCGKSA-N 448.317 4.168 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(OCC(F)(F)F)cc1 552849776 YVWPVFSDRPFSFD-QWHCGFSZSA-N 441.406 4.222 5 20 IIBD CN(CCc1nc(-c2ccccc2)no1)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 553100423 HSRQZMYTWOAZOQ-UHFFFAOYSA-N 429.436 4.022 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1ccc(F)cc1Cl)CC1CC1 555036579 QVCDPKNNBNPIHE-UHFFFAOYSA-N 433.867 4.327 5 20 IIBD O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCC[C@@H]1[C@@H]1CCCO1 557167802 DIBPTABSRMHTQX-MJGOQNOKSA-N 441.450 4.000 5 20 IIBD O=C(N[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1)c1ccc([N+](=O)[O-])cc1Br 557777586 JHZXWXILOVLLEB-DLBZAZTESA-N 441.228 4.365 5 20 IIBD C[C@H](NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1ccc(Br)cc1F 558580677 AMBXLZJGFKEAGD-VIFPVBQESA-N 434.221 4.241 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CC)Cc1cccc(-c2ccncc2)c1 564467140 VQHPVPFGPQBLJK-UHFFFAOYSA-N 432.480 4.206 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1N[C@H](CO)c1ccc(Br)cc1C(F)(F)F 569958511 IVPIGTLTFPILRB-GFCCVEGCSA-N 437.216 4.046 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCc1cc2cc(Br)ccc2[nH]1 570876166 QICJPRCQWJJLAY-UHFFFAOYSA-N 431.290 4.223 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(-c2ccncc2N2CCCC2)no1 573166130 GGQYYEWTMQHQJK-UHFFFAOYSA-N 430.262 4.378 5 20 IIBD COC(=O)[C@@](C)(NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 582338000 SCXPSZGUHZYGSN-WYRIXSBYSA-N 425.268 4.210 5 20 IIBD Cc1sc2ncn(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)c2c1-c1ccccc1 595245110 PUXVMZKIKRNKRX-UHFFFAOYSA-N 445.460 4.440 5 20 IIBD CCN(C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)[C@H](C)c1cccc(C(F)(F)F)c1 608879113 MQROOXCYNZVOMJ-ZIAGYGMSSA-N 437.418 4.342 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C1CCCCC1 609004674 DXKDJPDPWBGSIG-HXUWFJFHSA-N 429.904 4.495 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cc3nnc4ccccn34)cc2)cc1SC 609508231 GLFGBBFRLPFCRY-UHFFFAOYSA-N 449.492 4.211 5 20 IIBD CCOc1cc(C(=O)N2C[C@H](c3ccccc3Cl)OC[C@@H]2C)c([N+](=O)[O-])cc1OC 609509152 ISBQFUHIYHYHEJ-RNODOKPDSA-N 434.876 4.258 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@H]2OCCc3ccccc32)cc1 609580658 KTRSZSXRSDGPFR-HSZRJFAPSA-N 434.448 4.440 5 20 IIBD C[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 609723003 ISWWRPSSJKVVIT-CYBMUJFWSA-N 431.876 4.243 5 20 IIBD Cc1ccc([C@@H]2COCCN2C(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)o1 609728920 FGOUAVBXYFDRFV-MRUHUIDDSA-N 427.501 4.192 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cc(F)ccc1NC(=O)c1ccccn1 609784594 DBHNZOKBWGFOHE-UHFFFAOYSA-N 428.807 4.216 5 20 IIBD C[C@H]1CCCCN1CCCNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 609873395 KTOTYICJZCJQPQ-ZDUSSCGKSA-N 440.331 4.082 5 20 IIBD CCOc1cc2c(cc1OCC)CN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)CC2 610105606 PIIMGSMLBOMQKC-UHFFFAOYSA-N 441.528 4.483 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@]3(C2)C(=O)Nc2ccccc23)cc1OC 614584092 ZLBHIHLQSPWNFD-VOIUYBSRSA-N 439.512 4.124 5 20 IIBD COc1ccc(C(C)(C)C)cc1NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 615092354 OBWMVDAFRJHAAV-UHFFFAOYSA-N 425.485 4.031 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCC(Cc3cccc(OC)c3)CC2)c(C)c([N+](=O)[O-])c1 617020219 BOCODKFJGHMZHP-UHFFFAOYSA-N 441.484 4.185 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N(Cc2ccco2)c2ccccc2)cc1OC 619565115 DQNFDKBFUXOMGN-UHFFFAOYSA-N 426.425 4.069 5 20 IIBD CCOc1cccc2cc([C@@H](C)N[C@@H](C)C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])oc12 619647332 IJARRPVFXYODOS-KGLIPLIRSA-N 427.457 4.426 5 20 IIBD Cc1csc(Sc2ccc(C(=O)OCCNC(=O)OC(C)(C)C)cc2[N+](=O)[O-])n1 726338365 CTNQGQDNHMFNCH-UHFFFAOYSA-N 439.515 4.192 5 20 IIBD CC(=O)[C@H]1CC(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)=NN1c1ccccc1 727055439 OQMXPVGPVYZGQK-LJQANCHMSA-N 449.492 4.189 5 20 IIBD CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccc([N+](=O)[O-])c(Cl)c3)cc2)c1C 727711295 VHIXEDIWRQXWKA-UHFFFAOYSA-N 428.832 4.171 5 20 IIBD O=C(C[C@H](c1ccccc1)N1CCOC1=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 728232435 UVNNRTNZZQLTND-GOSISDBHSA-N 438.465 4.240 5 20 IIBD CCOc1ccc(CN(CCCn2ccnc2)C(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 729400764 OTPZOGHCJATBMC-UHFFFAOYSA-N 426.448 4.062 5 20 IIBD Cc1cc(Br)ccc1NC(=O)COC(=O)c1c(Cl)cccc1[N+](=O)[O-] 730645028 ILUPUUGWQPXLJL-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1Sc1cc2c(cc1Cl)OCCO2 732031974 NQZPZVKFZUPQGH-UHFFFAOYSA-N 437.829 4.167 5 20 IIBD O=C(O[C@@H]1CCCN(C(=O)c2ccccc2Cl)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 732610225 PHADZFJOYHPLTI-CQSZACIVSA-N 427.844 4.191 5 20 IIBD COc1c([N+](=O)[O-])cc(NC[C@@H]2OCCc3ccccc32)c([N+](=O)[O-])c1Br 733191040 NFDRGZCTEBBKQQ-AWEZNQCLSA-N 438.234 4.000 5 20 IIBD O=C(/C=C\c1ccc(I)o1)OCc1ccc(Cl)cc1[N+](=O)[O-] 734882129 DIFFZOCTYINWRW-XQRVVYSFSA-N 433.585 4.202 5 20 IIBD COc1ccccc1CC(C)(C)C(=O)OC1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 739386835 YWNNGAZSQXGXFJ-UHFFFAOYSA-N 442.512 4.393 5 20 IIBD O=C(OCc1nn(-c2ccccc2)c2c1CCC2)c1ccc([N+](=O)[O-])cc1Br 740409919 JMHACCWOCGOZDG-UHFFFAOYSA-N 442.269 4.389 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 742571692 BIZSJARAUPXYCJ-GOSISDBHSA-N 444.532 4.095 5 20 IIBD COc1ccc([C@@H]2CCCCCN2C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 746416419 HHWQYPAULJRLMI-QFIPXVFZSA-N 439.512 4.198 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)c1ccc2ncccc2c1)c1cccc([N+](=O)[O-])c1 748712978 QNRMYKMFUQWBQC-HXUWFJFHSA-N 433.464 4.385 5 20 IIBD O=C(COC(=O)c1cccc(Cl)c1[N+](=O)[O-])Nc1ccc2c(c1)OC1(CCCC1)O2 750540211 GPPCBSJZDFYAQY-UHFFFAOYSA-N 432.816 4.085 5 20 IIBD Cc1ccccc1OCCCC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 750663503 OXQRKYYVIQPIJA-UHFFFAOYSA-N 433.302 4.410 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)c2cc(-c3ccccn3)ccc2Cl)cc([N+](=O)[O-])c1C 754686965 QFZHKHNFFPACOA-UHFFFAOYSA-N 445.884 4.046 5 20 IIBD COc1ccc(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc1N1CCCCC1=O 757204801 YBZLOYQYGZYGFM-UHFFFAOYSA-N 432.864 4.095 5 20 IIBD COc1ccccc1COC1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)CC1 758970073 MGMUELAGKSPDOK-UHFFFAOYSA-N 449.301 4.187 5 20 IIBD COC(=O)c1cc(C(=O)OCc2cc(Br)cc3cccnc23)cc([N+](=O)[O-])c1 759861636 SQHIVWZVWAABSP-UHFFFAOYSA-N 445.225 4.049 5 20 IIBD O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCOc2ccc(C(F)(F)F)cc21 760915044 BEPQOGXVBJHIPC-UHFFFAOYSA-N 431.164 4.415 5 20 IIBD O=C(NC1CCC(O)(c2ccccc2)CC1)c1cc(F)cc([N+](=O)[O-])c1Br 760993277 GGSRKGYPPUOESZ-UHFFFAOYSA-N 437.265 4.057 5 20 IIBD C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1noc(-c2ccccc2)n1 761083223 BUZXADAPVDSERC-SECBINFHSA-N 435.209 4.037 5 20 IIBD COCCC1(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCCC1 761453869 ZQBVCDDFCAVCIQ-AWEZNQCLSA-N 447.513 4.185 5 20 IIBD CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 762022015 CFZKVGBPVAYZNP-LLVKDONJSA-N 445.419 4.062 5 20 IIBD C[C@@H]1CCCN1C(=O)c1ccc(-c2noc(-c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)n2)cc1 762309872 RBTZPWXQCPWLPK-OAHLLOKOSA-N 444.451 4.122 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])c2nsnc2c1)Nc1ccccc1-c1ccccc1 762973890 FTPHCQDAGLZLMS-UHFFFAOYSA-N 434.433 4.062 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(Br)c(Cl)c1 764099804 HYXMDMUWMLXEPV-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2C[C@H](c3ccsc3)O[C@H](C)C2)c1=S 765081582 NEAMEHSOVVEXSH-RDTXWAMCSA-N 445.570 4.490 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 765110270 IDSLNEIMMUPOSC-JPYJTQIMSA-N 433.549 4.317 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)Nc1nc(-c2ccccc2)cs1 766221868 DRLROOJFWHTIHL-ZDUSSCGKSA-N 448.460 4.451 5 20 IIBD COc1cc(C(=O)OCc2ccc(C)c(F)c2)c([N+](=O)[O-])cc1OCc1cscn1 766293514 RVAHABXCTFRFDZ-UHFFFAOYSA-N 432.429 4.443 5 20 IIBD COc1cc(N[C@@H]2CCCN(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C2)cc(OC)c1 768953598 WQNAHDMKEZUOHN-CQSZACIVSA-N 434.880 4.374 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)O[C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1 769888840 OIGIGQAYZMYNAM-HNNXBMFYSA-N 441.509 4.334 5 20 IIBD O=C(Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)c1ccc(Cl)c([N+](=O)[O-])c1 772223738 VFVVSTOZQVFTDK-KRWDZBQOSA-N 425.876 4.144 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cccn1[C@@H](C)Cc1ccccc1 773708041 ANIKUPFNKOEBFO-INIZCTEOSA-N 437.452 4.004 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NC1CCC(O)(c2cccnc2)CC1 774676672 AVAYWHZQZJEOHZ-UHFFFAOYSA-N 432.349 4.281 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])c1 775546140 AYLRZKDXBWSIQE-NEPJUHHUSA-N 427.379 4.180 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1cccc(OC(F)(F)F)c1 775552067 DNQRPLAEPICXBE-GFCCVEGCSA-N 427.379 4.181 5 20 IIBD CCOc1ccc([C@@H]2CCCN2C(=O)COC(=O)c2cccc(SC)c2[N+](=O)[O-])cc1 777073376 DYNFYBCSMCIXIY-SFHVURJKSA-N 444.509 4.236 5 20 IIBD O=C(OCc1cccc([N+](=O)[O-])c1)[C@H]1CC[C@H](C(=O)OCc2cccc([N+](=O)[O-])c2)CC1 777969633 UIUOZZDBSPIPCL-IYARVYRRSA-N 442.424 4.096 5 20 IIBD CN(C)CC1CCN(c2ccc(NC(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)cc2)CC1 778007336 OYFLOGWXMZIMQA-UHFFFAOYSA-N 432.471 4.103 5 20 IIBD CCc1[nH]nc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c1-c1ccc2c(c1)OCO2 778505118 CRHQVVHDISVYCM-UHFFFAOYSA-N 430.367 4.007 5 20 IIBD COc1ccc(NC(=O)[C@H](OC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C(C)C)cc1 778887215 OEZPTLAWTWYBIC-QGZVFWFLSA-N 438.383 4.025 5 20 IIBD CN(C[C@H]1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1)C(=O)OC(C)(C)C 780603400 FXAKLKGKGLNVKC-MRXNPFEDSA-N 435.524 4.010 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 781606845 PIDXGIQZMXNVFV-PHIMTYICSA-N 443.300 4.025 5 20 IIBD CC[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1Br)C(=O)c1ccc(NC(C)=O)cc1 781676917 ZUKCQISNFZGYLL-MRXNPFEDSA-N 449.257 4.134 5 20 IIBD O=C(COC(=O)c1c(F)ccc(Br)c1F)Nc1ccc(Cl)cc1[N+](=O)[O-] 785196445 SNVGFHJFVPAVRN-UHFFFAOYSA-N 449.591 4.084 5 20 IIBD Cc1nn(CN2CCC[C@H]2c2nc(-c3ccccc3Br)no2)c(C)c1[N+](=O)[O-] 785516346 JPRTWIKSCFXYEU-HNNXBMFYSA-N 447.293 4.015 5 20 IIBD CC(C)n1ncc2cc(S(=O)(=O)Oc3cc([N+](=O)[O-])ccc3Br)ccc21 786905479 RHIGGFZKWDTLFL-UHFFFAOYSA-N 440.275 4.056 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)NCc2ccc(CCNC(=O)OC(C)(C)C)cc2)c1F 790422147 VPKUZNDBARROKX-UHFFFAOYSA-N 431.464 4.040 5 20 IIBD Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 790650034 KNIXYEWZMGFLBI-UHFFFAOYSA-N 442.859 4.215 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 790664214 BDNNLOKZXFSZDC-LBPRGKRZSA-N 443.903 4.082 5 20 IIBD C[C@H](CCc1ccc(O)cc1)NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 790667403 LRTHQIWRJYXBNH-CYBMUJFWSA-N 448.317 4.152 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCC1CCN(C(=O)C(C)(C)C)CC1 792476305 UCCRPKZWHDXXDX-UHFFFAOYSA-N 441.322 4.107 5 20 IIBD CCN(C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@@H](C)Cc1ccc(OC)cc1 793035521 HYYCECDIJXPWAB-INIZCTEOSA-N 441.528 4.319 5 20 IIBD O=C(O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)c1cc2sc(N3CCCC3)nc2s1 796859796 BBFDVGVFHHZFGU-HNNXBMFYSA-N 444.538 4.302 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCc1ccsc1Br 800875119 XIZZLSHICXRWPX-UHFFFAOYSA-N 427.248 4.027 5 20 IIBD CCC[C@@]1(CO)CCN([C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C1 808797212 ZGJYGFDXXCHCLQ-RBBKRZOGSA-N 431.920 4.413 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@](c2nc(Cc3ccccc3[N+](=O)[O-])no2)(C(F)(F)F)C1 809239419 DBSUBVJOKRVYEM-SFHVURJKSA-N 442.394 4.010 5 20 IIBD O=C(c1cc(C(F)(F)F)cc(Cl)n1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 810452057 BKZARRUFILLWKY-UHFFFAOYSA-N 429.782 4.346 5 20 IIBD O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCC(n2cc(Br)cn2)CC1 812990597 RIDRNANMDAQWET-UHFFFAOYSA-N 448.104 4.338 5 20 IIBD Cc1ccc(NC(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC2)cc1 813464417 VYWXYIIFQHJWLT-UHFFFAOYSA-N 437.283 4.200 5 20 IIBD CC(C)[C@@H](OC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C(=O)Nc1ccccc1Cl 814482306 SQTSHGKTYIIPOD-GOSISDBHSA-N 437.855 4.273 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc(Cl)c(N2CCNC2=O)c1 815213805 FXUJARVRPUCSGP-UHFFFAOYSA-N 443.765 4.154 5 20 IIBD O=C(NC[C@@H](c1ccccc1)C1CC1)c1cc([N+](=O)[O-])ccc1I 817089502 IRQBCTJRMHSLQD-INIZCTEOSA-N 436.249 4.123 5 20 IIBD O=C(COC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)c1ccc([N+](=O)[O-])cc1 843389925 CFWXGOPQRLPIOX-UHFFFAOYSA-N 425.418 4.134 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1cc(F)c(F)c(F)c1F 864244585 DAADJHWRBKEMJU-UHFFFAOYSA-N 438.337 4.252 5 20 IIBD CC(=O)c1cccc(NC(=O)[C@@H](OC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C(C)C)c1 876822385 VXOAUYAWECBPOV-NRFANRHFSA-N 439.468 4.192 5 20 IIBD COC(=O)c1cc(C(=O)Nc2nc3ccc(Br)cc3s2)cc([N+](=O)[O-])c1 904797828 DEUCCZARPOVXRK-UHFFFAOYSA-N 436.243 4.006 5 20 IIBD C[C@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 917875393 WKWLUVIKZFUBQC-LLVKDONJSA-N 439.287 4.485 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)Cc1cccc2cccnc12)c1cccc([N+](=O)[O-])c1 918632195 DQJIALRUVJADHM-OAQYLSRUSA-N 447.491 4.314 5 20 IIBD Cc1cc(-c2noc([C@@H](C)OC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)ccc1F 919227637 VKCWCCNZYGHGJC-LLVKDONJSA-N 430.348 4.227 5 20 IIBD CCOc1ccc(Br)cc1S(=O)(=O)Oc1ccc([N+](=O)[O-])c(Cl)c1 921197779 NNFYFYKQLRYXPY-UHFFFAOYSA-N 436.667 4.177 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCc2ccc([N+](=O)[O-])cc2C1 1116242107 JJICRRYNFXKFAT-UHFFFAOYSA-N 441.387 4.199 5 20 IIBD O=C(CCOc1cc(Cl)ccc1Cl)O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 1318372637 JEOSBWFEGIGGAY-INIZCTEOSA-N 439.251 4.019 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(OCC(=O)N(CC(F)(F)F)c2ccc(Cl)cc2)c1 1321682093 ZWLCBIGDNSHMFE-UHFFFAOYSA-N 446.765 4.009 5 20 IIBD CN1C(=O)C[C@@H](c2nnc(COc3ccccc3[N+](=O)[O-])o2)[C@@H]1c1ccc(Cl)c(F)c1 1335354379 SAJFHISEYYUKHP-BLVKFPJESA-N 446.822 4.036 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3sccc3F)CCC2)cc1)c1ccc([N+](=O)[O-])o1 1785748918 YAAVULFKZQYICZ-UHFFFAOYSA-N 429.429 4.450 5 20 IIBD O=C(CCC(F)(F)F)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1 1787869255 YBNUCSHTHFRJPS-UHFFFAOYSA-N 425.363 4.278 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])NC1(c2ccc(NC(=O)[C@H]3CCCOC3)cc2)CCC1 1792300146 YCUPTMNNXYQGJH-CWRQFWGNSA-N 449.507 4.169 5 20 IIBD CCCCC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(N(C)C)ccc1[N+](=O)[O-] 1799239346 TYJXGJYNIHRJQK-IZBJGVDFSA-N 444.576 4.129 5 20 IIBD NC(=O)[C@@H](OC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccccc1 11745561 MFSGSOWJZKRBNT-IBGZPJMESA-N 426.812 4.424 5 20 IIBD CC(C)NC(=O)c1ccc(NCc2ccc(COCC(F)(F)F)cc2)c([N+](=O)[O-])c1 22136297 FQBDEDPTKIXZHD-UHFFFAOYSA-N 425.407 4.424 5 20 IIBD COc1ccc(-c2nnc(Sc3ccc([N+](=O)[O-])cn3)n2-c2ccc(OC)cc2)cc1 23615613 VRVIEICOAMDURW-UHFFFAOYSA-N 435.465 4.406 5 20 IIBD CC[C@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccccc1OC(F)F 27354472 SEDGKCJKNDCGIB-HNNXBMFYSA-N 449.410 4.152 5 20 IIBD COc1ncccc1CN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 28340229 ISXOGLLDHGRHBA-IBGZPJMESA-N 426.860 4.121 5 20 IIBD Cc1cccc(NC(=O)[C@H](C)OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1C 28774603 QEYSCNOMSGURLO-SFHVURJKSA-N 428.488 4.342 5 20 IIBD O=C(COC(=O)COc1cccc2ccccc12)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 28828077 ANERWZDOELUKGT-UHFFFAOYSA-N 448.353 4.328 5 20 IIBD C[C@H](Nc1cccc(N2CCCC2=O)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 28912054 WTHFOEOCSHHTNV-LBPRGKRZSA-N 436.390 4.180 5 20 IIBD CSc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1[N+](=O)[O-] 29169713 YCZCZRBZJSLWBJ-UHFFFAOYSA-N 429.479 4.464 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])Nc1nc2ccc(OCC(F)(F)F)cc2s1 31826396 WCYYDXQIGVHZPL-UHFFFAOYSA-N 427.360 4.163 5 20 IIBD CC1(C)CC(=O)c2sc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)nc2C1 60828744 QJMWOUOBHSJNFY-UHFFFAOYSA-N 428.514 4.062 5 20 IIBD O=C(NCc1ccc(-n2cnc3ccccc32)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 61284205 XWYBFTXMIUWGGB-UHFFFAOYSA-N 438.447 4.049 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(c3nc4ccccc4s3)CC2)c1 64457491 MHAFUHKJBCXNFQ-UHFFFAOYSA-N 428.539 4.325 5 20 IIBD CC[C@@H](C(=O)N1CCC(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1)c1ccccc1 109862380 BCEKIONFKJVWPM-LJQANCHMSA-N 441.553 4.231 5 20 IIBD Cc1cccc(OC(F)F)c1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 116484048 CZAOHLZOEKXUTG-UHFFFAOYSA-N 435.412 4.037 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NCc1ccccc1-n1ccnc1 302700933 XHYJFBZIIDPQFF-UHFFFAOYSA-N 449.492 4.193 5 20 IIBD O=C(CCCOc1ccc(Cl)cc1Cl)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 303763941 LMSFJNYISSWGFF-CQSZACIVSA-N 439.299 4.169 5 20 IIBD COc1ccc(-c2ccc(CNC[C@H](c3ccccc3OC)N(C)C)o2)c([N+](=O)[O-])c1 409721306 PIUCEKMQBKMBDV-OAQYLSRUSA-N 425.485 4.265 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CNc2cccc3c(=O)n(C)ccc23)cc1OC 409898320 NETXMXRVTLUJLP-HNNXBMFYSA-N 425.485 4.492 5 20 IIBD C[C@@H]1C[C@]1(NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 410377612 DTPYJNVOLMXIBJ-MPBGBICISA-N 443.916 4.193 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@H]1CCCOc2cc(F)ccc21 426242792 XYQONHGVBRYHFK-INIZCTEOSA-N 427.354 4.466 5 20 IIBD C[C@@H]1CN(Cc2ccccc2NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 432680623 SJODFOPNMWIAPP-IAGOWNOFSA-N 426.517 4.261 5 20 IIBD CN1CCC(Nc2ccccc2NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 433188073 KYSYIGDZSRDILK-UHFFFAOYSA-N 433.306 4.116 5 20 IIBD O=C(c1ccc(N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl)N1CCCCC1 433723946 VCKRIGGCTXYZSK-FQEVSTJZSA-N 442.903 4.092 5 20 IIBD COCCC1(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)CCC1 435845621 MIOZJTPDXUHVSC-UHFFFAOYSA-N 449.554 4.069 5 20 IIBD C[C@@H](c1noc(-c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2O)n1)C(C)(C)C 436931786 MJDGBYZXSBRWSI-LBPRGKRZSA-N 446.485 4.301 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3nc4cc(F)ccc4n3C)cc2[N+](=O)[O-])C1 437159692 HFYQFBVLWPFOEJ-ZIAGYGMSSA-N 425.464 4.355 5 20 IIBD CC(C)(CO)[C@@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 438173367 DSYQFTCNJVNZSH-SFHVURJKSA-N 425.510 4.250 5 20 IIBD CC[C@H](CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Oc1cccc(Cl)c1 440630613 YRMQAHOFVNFFEG-QGZVFWFLSA-N 428.876 4.236 5 20 IIBD CCCN(C(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 441478666 PHJZLKMIOKIROB-IBGZPJMESA-N 439.512 4.046 5 20 IIBD C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)Oc1ccc(F)cc1 444104353 XSHVTBVMFGIFKH-GFCCVEGCSA-N 426.394 4.296 5 20 IIBD CCOc1ccc([C@H](NC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c2ccccc2)cc1 444970766 AXRACAJOSICTQX-HSZRJFAPSA-N 445.479 4.459 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(-c3ccc(Br)c(C(F)(F)F)c3)n2)n1C 445618519 CRVQYYAKDMMJMO-UHFFFAOYSA-N 432.156 4.135 5 20 IIBD COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)n1 446786105 OOLQLHIDBQEXJM-OAHLLOKOSA-N 439.493 4.452 5 20 IIBD CCCN(C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)[C@@H]1C[C@@H](OCC)C12CCCC2 446905329 GUEULWZDXMWYLX-RTBURBONSA-N 429.521 4.131 5 20 IIBD Cc1nn(C)c(C)c1C[C@H](C)C(=O)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 460121625 RQYVAHDKTROQHE-AWEZNQCLSA-N 448.483 4.208 5 20 IIBD CCCc1[nH]nc(C(=O)NCc2ccc(Oc3ccccc3C(F)(F)F)nc2)c1[N+](=O)[O-] 461339810 LJHLHXVWKPYBJR-UHFFFAOYSA-N 449.389 4.407 5 20 IIBD Cc1cc(=NC(=O)c2ccccc2-c2nc(C(C)(C)C)no2)c2cc([N+](=O)[O-])ccc2[nH]1 462567118 QDHFSCWJXOOMEW-UHFFFAOYSA-N 431.452 4.473 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1C(=O)Nc1cc(C)ccc1OC 462617412 CHVJTOAXDBPJSA-NQIIRXRSSA-N 439.512 4.110 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)c2ncccc12 463667665 HKOFZVUIMIMSPP-UHFFFAOYSA-N 442.884 4.025 5 20 IIBD CC[C@@]1(C)CCCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 464604948 SLKATPPHELXARB-NRFANRHFSA-N 431.514 4.048 5 20 IIBD CN(C)CCn1ccc2ccc(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)cc21 465132733 FABZQNVLCSTETN-UHFFFAOYSA-N 435.509 4.487 5 20 IIBD CCOc1cc(NC(=O)N[C@H]2C[C@@]2(C)c2ccccc2OC)c([N+](=O)[O-])cc1OCC 466048492 IDMKPPKBUXKRCS-UNMCSNQZSA-N 429.473 4.253 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CC[C@@H](c3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] 466895073 XNBFZIOZWOUTHY-KKLQWCBXSA-N 435.524 4.303 5 20 IIBD CN(Cc1cccc(Br)c1OCC(C)(C)O)Cc1c(F)cccc1[N+](=O)[O-] 467276613 CNMQIDQIASPLPL-UHFFFAOYSA-N 441.297 4.278 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)NCc1nc2c(s1)C[C@H](c1ccccc1)CC2 468127441 SYDQMMOVGJFMNQ-GOSISDBHSA-N 436.537 4.366 5 20 IIBD CCCN1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c(OCC)c2)CC1 471161734 QLODXBVEMSBLGT-UHFFFAOYSA-N 446.935 4.431 5 20 IIBD COc1cc(CN2CCSC3(CCOCC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 473057857 LAZVGAFYAQMEDW-UHFFFAOYSA-N 444.553 4.280 5 20 IIBD COC(=O)[C@@H](C)NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 473140129 CHPPLGRGQFJPBY-SNVBAGLBSA-N 428.388 4.056 5 20 IIBD O=C(N[C@H]1CC[S@@](=O)C1)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 474945001 RRJNWNCCKQPNOZ-WUTCKBNWSA-N 444.456 4.016 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc2nc(C3CCCCC3)[nH]c2c1 475059100 HOVLEHOTRMGFMO-UHFFFAOYSA-N 435.440 4.065 5 20 IIBD O=C(Nc1ccccc1OCC(F)F)c1ccc([N+](=O)[O-])cc1I 475399490 ISUZCAODKBKNLJ-UHFFFAOYSA-N 448.163 4.096 5 20 IIBD CCCOc1ccc(C(C)(C)NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1 478534405 KKSJYQHENLTSSM-UHFFFAOYSA-N 441.484 4.123 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(CC3CC3)C3CCC3)cc2)cc1[N+](=O)[O-] 478594698 HROILKICFKJDBG-UHFFFAOYSA-N 443.525 4.109 5 20 IIBD COc1cc(C(=O)Nc2ccc(Sc3nncn3C)c(Cl)c2)cc([N+](=O)[O-])c1C 479940483 LAAMSDYNDJDLLA-UHFFFAOYSA-N 433.877 4.097 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1Br 481483681 SNUGSHWLSCDVGR-UHFFFAOYSA-N 425.304 4.026 5 20 IIBD CCNC(=O)c1ccc(C)c(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 482936414 YRCULIZSMISJDD-UHFFFAOYSA-N 441.431 4.403 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CSc1nnc([C@H](C)N(C)C)n1-c1ccc(F)cc1 485363783 QQXUQMWZPLFXSQ-ZDUSSCGKSA-N 431.493 4.238 5 20 IIBD COc1ccc2c(c1)CCC[C@H]2CNC(=O)c1sc(Br)cc1[N+](=O)[O-] 486113449 CYQLFIHHJYVECU-NSHDSACASA-N 425.304 4.277 5 20 IIBD Cc1oc(-c2cccs2)nc1CC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 486702776 OBMBVBIWOALDGE-UHFFFAOYSA-N 425.388 4.497 5 20 IIBD O=C1CN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CN1CC(F)(F)F 488591962 QVWBUNBHCNGVBL-UHFFFAOYSA-N 429.782 4.205 5 20 IIBD COc1cccc(Cc2nnc(S[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)o2)c1 488843417 MHJBUIUVILSMCG-ZDUSSCGKSA-N 428.470 4.005 5 20 IIBD CSc1nnc(CCCNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1C1CCCC1 489200926 FYHDZQGJPIORSM-OAHLLOKOSA-N 446.577 4.325 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1 489202430 ZKXWHBCCKQICBA-HNNXBMFYSA-N 425.514 4.415 5 20 IIBD CC[C@H](NC(=O)NCc1ccccc1CN1C[C@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 489344535 ZCNCAOUUKFSSES-BSRJHKFKSA-N 440.544 4.155 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N(CCO)Cc1cccc(Br)c1 490248347 OQXQPZVHZNQKRA-UHFFFAOYSA-N 439.331 4.104 5 20 IIBD C[C@H]1[C@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CCN1Cc1ccccc1 494068829 KPXUGQHBHQZMCQ-OYHNWAKOSA-N 447.485 4.352 5 20 IIBD Cc1ccc(-c2csc(NC(=O)C3CCN(CC(F)(F)F)CC3)n2)cc1[N+](=O)[O-] 496011223 JUAXIFKOIHTJBH-UHFFFAOYSA-N 428.436 4.240 5 20 IIBD O=C(NCCC1(O)CCC1)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 497826191 NXJWYUCNKKCOLS-UHFFFAOYSA-N 437.855 4.284 5 20 IIBD O=[N+]([O-])c1ccc([C@H]2SCCN2S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1 497949130 CVSKGEPIAWQLHI-OAHLLOKOSA-N 436.408 4.189 5 20 IIBD CCOc1cc(NC(=O)c2cc(O)nc3c(F)cc(C)cc23)c([N+](=O)[O-])cc1OCC 498239226 XNMVRUBWXGJJLM-UHFFFAOYSA-N 429.404 4.346 5 20 IIBD CCC(=O)N[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 499559818 NRWYQQZBSMSJQI-MRXNPFEDSA-N 431.876 4.171 5 20 IIBD Cn1cc(C(=O)NCc2ccc(Oc3cccc(F)c3)nc2)c(-c2ccc([N+](=O)[O-])cc2)n1 501742310 MKGZSIDITVZASC-UHFFFAOYSA-N 447.426 4.252 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCOC[C@H]1c1noc(-c2ccccc2)n1 501929358 XBTRJPYOLMJPLM-INIZCTEOSA-N 436.449 4.073 5 20 IIBD COc1cc(CNc2cc(Cl)ccc2C(=O)N(C)C)c([N+](=O)[O-])cc1OCC(F)F 502656263 VAVJWDANFLQYIO-UHFFFAOYSA-N 443.834 4.215 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccc(OCC(F)(F)F)c(OC)c1 504369048 WRVJNOXKRZIOQF-UHFFFAOYSA-N 428.363 4.124 5 20 IIBD CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)n1cc(-c2ccc([N+](=O)[O-])cc2)cn1 504545204 DTCMVZRGLLKXGX-CYBMUJFWSA-N 442.497 4.459 5 20 IIBD CCCOc1cc(NC(=O)c2cn(-c3cccc(C)c3)nn2)c([N+](=O)[O-])cc1OCCC 508768599 GFSKNQXLAOVMII-UHFFFAOYSA-N 439.472 4.314 5 20 IIBD CCCN(C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])[C@@H]1CCCN(Cc2ccccc2)C1 509180035 CMDRIUKRKAXLGI-LJQANCHMSA-N 441.528 4.129 5 20 IIBD O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 512576627 CVOFDXNXQGQBGL-UHFFFAOYSA-N 442.357 4.237 5 20 IIBD COc1cccc2c1CCCCN2C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 513907065 GWEIDXOOZXXPQG-UHFFFAOYSA-N 434.496 4.448 5 20 IIBD COc1ccccc1CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H]1CCCO1 514117169 RSQKHLUWRGHNOO-OAQYLSRUSA-N 437.496 4.482 5 20 IIBD CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 515528843 YLEBNNSSFDBRPQ-UHFFFAOYSA-N 435.267 4.484 5 20 IIBD CC[C@@H](c1ccccc1)c1nnc(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)s1 520743764 ILFJGMTUOMWCCP-KRWDZBQOSA-N 426.502 4.222 5 20 IIBD CCN(CC)CC1CCN(C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 521185385 VKLXNZAPNCLBTL-RTBURBONSA-N 430.593 4.271 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)N[C@H](c1ccccc1)C1CCCC1 521513403 SABUFRYIXFVMKK-GOSISDBHSA-N 433.411 4.182 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCc2c(Cl)cccc2Cl)ccc1[N+](=O)[O-] 523223465 DTUIXEQPTDCDDI-SFHVURJKSA-N 436.295 4.131 5 20 IIBD CC(C)(C(=O)NCc1ccc(N2CCc3ccccc3C2)nc1)c1ccc([N+](=O)[O-])cc1 523502361 VCDDTVUNPSTDAM-UHFFFAOYSA-N 430.508 4.147 5 20 IIBD COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)C1 525485584 OFCWWZMTKTUDNC-ZDUSSCGKSA-N 428.876 4.228 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 531954912 DFOXMZSULAQKRG-AEFFLSMTSA-N 431.558 4.175 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[C@@H](c1ccc(Cl)cc1)C(F)(F)F 532341193 RRONHSZUVXNAMM-INIZCTEOSA-N 430.766 4.395 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN(CCCO)Cc1ccc(Cl)c(Cl)c1 532959244 YXZOMKKQCIKXQJ-UHFFFAOYSA-N 426.300 4.033 5 20 IIBD Cn1c([C@H]2CCCCN2CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc2ccccc21 533065297 DTWREMHANUQDMM-LJQANCHMSA-N 427.892 4.301 5 20 IIBD CCN(CC)C(=O)[C@H](c1ccccc1)[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534796736 UIKNITZRZQVUSU-GEFUHLBYSA-N 441.509 4.108 5 20 IIBD Cc1cccc2sc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Br)nc12 534902076 JFEIVKIJAWSORD-UHFFFAOYSA-N 428.289 4.076 5 20 IIBD O=C(NCCCNc1ncnc2ccc([N+](=O)[O-])cc12)[C@@H]1C[C@@H]1c1c(F)cccc1Cl 537018801 UBYXFXILOKAFJO-UONOGXRCSA-N 443.866 4.052 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnn(S(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)c2)c1 537565445 NJWRXVHBXJURIX-UHFFFAOYSA-N 431.779 4.368 5 20 IIBD CCc1nc2ccccc2n1C1CCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 537923123 KWVWHSMVWPFPPO-UHFFFAOYSA-N 438.484 4.001 5 20 IIBD C[C@@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cccc(OCc2ccccn2)c1 538153388 SLYQAYKVFYIXIN-MRXNPFEDSA-N 431.452 4.470 5 20 IIBD CC(C)(CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1)c1cccc(Cl)c1 538361314 VLGIMUXZOUKZMP-UHFFFAOYSA-N 431.905 4.225 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H](C)Oc1ccc(I)cc1 539611775 YQPFLUSBHVFSPN-LBPRGKRZSA-N 440.237 4.222 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC(Oc2ccccn2)CC1 540297838 QUZQIRSFYRAZQO-UHFFFAOYSA-N 429.274 4.348 5 20 IIBD Cc1nnc(CNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)n1C1CC1 541708027 UQJNAZUMNASJKZ-UHFFFAOYSA-N 440.891 4.025 5 20 IIBD NC(=O)[C@@H](Cc1ccccc1)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 541801474 WUJUNPGZNDUWTQ-LJQANCHMSA-N 443.862 4.366 5 20 IIBD COc1ccc(C[C@@H](C)CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 542226484 MRDJJJURBCKVNN-CYBMUJFWSA-N 438.933 4.353 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC(Oc2cccc(Br)c2)CC1 542770248 RJXMRUWUTDVETO-UHFFFAOYSA-N 448.317 4.153 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1cccc2c1OCO2 542969998 IAQGBZWZIQVBKM-UHFFFAOYSA-N 442.431 4.357 5 20 IIBD COc1cc(CNCc2cn3cc(C)ccc3n2)ccc1OCc1ccc([N+](=O)[O-])cc1 557177986 GJNVRCWJGUPXHF-UHFFFAOYSA-N 432.480 4.428 5 20 IIBD Cn1nnnc1-c1cccc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])c1 558937656 KYGCJLXOWGCEGF-UHFFFAOYSA-N 432.465 4.189 5 20 IIBD O=C(N[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1)c1sc(Br)cc1[N+](=O)[O-] 561460123 GZFYYSYAMKDQBV-WCQYABFASA-N 447.257 4.427 5 20 IIBD COc1cccc(CN(CCN(C)C)Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 566823571 IXZLXBAWSFQRHR-UHFFFAOYSA-N 426.542 4.291 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(N2CC(CN3CC(C)(C)c4cc(-c5cnn(C)c5)ccc43)C2)n1 567488204 IXHFLOUPHHGFCJ-UHFFFAOYSA-N 446.555 4.241 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2cc(OC)c(Cl)cc2C1 570844861 BDNQDJPFKNWEQF-UHFFFAOYSA-N 436.917 4.194 5 20 IIBD Cc1cccn(Cc2c(F)cccc2NCc2cc([N+](=O)[O-])ccc2OC(F)F)c1=O 571246053 DEAVDATYLKQJDV-UHFFFAOYSA-N 433.386 4.466 5 20 IIBD COc1cccc(OC(F)(F)F)c1CN[C@@H](c1ccc([N+](=O)[O-])cc1)c1nccn1C 571933032 RRQUBSQJVJRVGM-SFHVURJKSA-N 436.390 4.115 5 20 IIBD O=C(Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 572628938 RFNWBSTUSZOGTP-UHFFFAOYSA-N 449.206 4.465 5 20 IIBD O=C(NCc1ccc(OC(F)F)cn1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 577702816 MPCRAAWVNMNIBT-UHFFFAOYSA-N 428.395 4.133 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O 590539173 VVRYDSWGWTYSTJ-MNXTYGCHSA-N 439.350 4.458 5 20 IIBD Cn1ccc(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2cccc([N+](=O)[O-])c2)CCC3)n1 590932783 VEMLGRYAVZCMPN-VKAVYKQESA-N 439.475 5.006 5 20 IIBD CC1CCN(S(=O)(=O)c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2)CC1 603728815 NNGYTHOBSOOQSZ-UHFFFAOYSA-N 443.481 4.014 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(=O)NCC(F)(F)F)ccc2C)c1 603774323 QENNQGDBOHBXMQ-UHFFFAOYSA-N 427.404 4.170 5 20 IIBD CCOc1cc2c(cc1CNc1ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c1)O[C@H](C)C2 603943592 WLDRZIVVGXGSFE-OAHLLOKOSA-N 425.485 4.165 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C1CC1)[C@@H](C)c1cccc(C(F)(F)F)c1 608878109 NFCYCQKLRHBLGE-KBPBESRZSA-N 449.429 4.484 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 608880023 NVTWRWNDNDVLPD-MRXNPFEDSA-N 447.495 4.195 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)ccc1[N+](=O)[O-] 609657697 LSHVCJBTQQIRKX-UHFFFAOYSA-N 432.502 4.112 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 609751446 FFJCENAVYBGZGD-QGZVFWFLSA-N 448.470 4.395 5 20 IIBD O=C(CSCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Nc1cccc2ccccc12 609770478 VUQACWIBQUTSSP-UHFFFAOYSA-N 437.477 4.418 5 20 IIBD O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)c1ccc([N+](=O)[O-])cc1Br 610044938 IUAOAETUEPRGPC-UHFFFAOYSA-N 439.678 4.203 5 20 IIBD CN(C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 611090924 UTDKOPVSUVBNBQ-PKOBYXMFSA-N 435.402 4.186 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@H](Cn2cnc3ccccc32)C1 613967573 MHONRUNBZRQYGA-SFHVURJKSA-N 433.512 4.097 5 20 IIBD Cc1cc(C(=O)COC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c(C)n1CCC1=CCCCC1 726661389 OFMJKJBYGCKCOP-UHFFFAOYSA-N 442.516 4.261 5 20 IIBD C[C@H](Cc1ccsc1)NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727476200 PELCRHKIHXVORM-CYBMUJFWSA-N 442.463 4.138 5 20 IIBD CN(C[C@@H]1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C 729185458 RJIXRYWXUDHENP-NSHDSACASA-N 448.398 4.215 5 20 IIBD CC(C)OC(=O)CNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 729382650 CLEJOUFNHXHHKQ-UHFFFAOYSA-N 431.495 4.037 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1 735578651 QAUSLMGAMRXPHK-UHFFFAOYSA-N 434.424 4.281 5 20 IIBD O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)c1occc1CN1C(=O)Cc2ccccc21 735904659 QEZOPOLAJWZVOK-UHFFFAOYSA-N 426.812 4.288 5 20 IIBD O=C(COC(=O)c1cccc(Oc2nccs2)c1)Nc1cc([N+](=O)[O-])ccc1Cl 736918001 JQCQBBRXOLDEEE-UHFFFAOYSA-N 433.829 4.293 5 20 IIBD COc1ccc(CNC(=O)Nc2cccc(CN(C)C(=O)OC(C)(C)C)c2)cc1[N+](=O)[O-] 737027388 HTUHMLWHQWGOAR-UHFFFAOYSA-N 444.488 4.292 5 20 IIBD O=C(c1cccnc1SC(F)(F)F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 742872127 ANEYKHKITXQTIO-UHFFFAOYSA-N 427.404 4.285 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)cccc1[N+](=O)[O-] 745499791 KOPQOHWQOGCPQX-ZDUSSCGKSA-N 445.447 4.211 5 20 IIBD CC(C)[C@H](NC(=O)COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(F)cc1 745567861 GLAHTWVALJIMMF-SFHVURJKSA-N 442.365 4.423 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)cccc1[N+](=O)[O-] 745744303 BJPCNXVPSFZZJO-PIGZYNQJSA-N 441.267 4.204 5 20 IIBD COC(=O)c1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2-c2cccs2)ccc1C 745935362 KUJPPPQKQFMQOQ-UHFFFAOYSA-N 433.463 4.186 5 20 IIBD CO[C@H](C)c1noc(COC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)n1 747675950 DGRZZKDORHPMCS-GFCCVEGCSA-N 446.847 4.308 5 20 IIBD O=C(OCCn1cc([N+](=O)[O-])cn1)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CC2 748102584 APKIAVLYLMMVDG-NTCAYCPXSA-N 430.420 4.276 5 20 IIBD Cc1c(C(=O)NCCc2nc3cc(Cl)ccc3s2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748619014 RNGOBHRXFVMOQM-UHFFFAOYSA-N 434.861 4.355 5 20 IIBD CC(=O)Nc1cccc(COC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 749081986 DLGCVVUTUHGQMU-OAHLLOKOSA-N 434.452 4.478 5 20 IIBD O=C(NCc1nc(CNc2nc3ccc([N+](=O)[O-])cc3s2)cs1)c1ccccc1 750030953 PVDXBWYEXLCNEI-UHFFFAOYSA-N 425.495 4.203 5 20 IIBD O=C(Nc1ccn(CC(F)(F)F)n1)c1cc(Br)cc([N+](=O)[O-])c1Cl 750920964 AJTKQYDAUPDSBE-UHFFFAOYSA-N 427.564 4.022 5 20 IIBD O=C(Nc1cccc(CN2CCSCC2)c1)c1cc([N+](=O)[O-])ccc1Br 751113341 XRHJAVRYEJPSIZ-UHFFFAOYSA-N 436.331 4.158 5 20 IIBD O=C(Cc1ccc(OCc2ccccn2)cc1)O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 752515697 KQIGAWCWSCROJG-NHCUHLMSSA-N 436.468 4.035 5 20 IIBD Cc1cc(O)nc(-c2cccc(OC(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)c2)n1 753554999 YQZLNDLDRKDVKF-UHFFFAOYSA-N 444.241 4.356 5 20 IIBD CCn1ccnc1[C@H](CCc1ccccc1)OC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 754735669 HMQPHWGOAGLSHR-NRFANRHFSA-N 433.468 4.078 5 20 IIBD C[C@H](C(=O)OCC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)c1ccc([N+](=O)[O-])cc1F 755069090 QCJFEXVWTUNDHJ-KBPBESRZSA-N 428.416 4.346 5 20 IIBD C[C@H](C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1)[C@@H](C)NC(=O)OC(C)(C)C 756747849 NGAVGSVQNCCPDN-QWHCGFSZSA-N 434.518 4.230 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)Nc1ccc(-n2nccn2)cc1C(F)(F)F 757202612 WNMMJHSNOHZVJZ-UHFFFAOYSA-N 440.769 4.169 5 20 IIBD CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760507643 BVLNTXFETAQKEG-QGZVFWFLSA-N 431.445 4.083 5 20 IIBD CN(C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccccc1Cl 760786775 BRBBHRXYUFHZLO-OAHLLOKOSA-N 426.698 4.043 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC(N2CCc3ccccc3C2)CC1 760812791 NFOJYUINQBWPOA-UHFFFAOYSA-N 444.329 4.020 5 20 IIBD COc1cc(C(=O)OCC(=O)c2cc(C)c(F)cc2Cl)c([N+](=O)[O-])cc1OC(F)F 761035617 GPYJXUUNXDILMW-UHFFFAOYSA-N 447.749 4.345 5 20 IIBD CCCC(=O)Nc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)c1C 761890884 BZPQBSJMXBOGSR-UHFFFAOYSA-N 425.894 4.404 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)OCc2ccc3c(c2)COC3)cc1[N+](=O)[O-] 762161651 HYOFXVFLNJPTCB-UHFFFAOYSA-N 446.459 4.279 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)Cc1ccccc1Cl 762476932 KLKLSTAIXNNAPM-ZDUSSCGKSA-N 436.917 4.264 5 20 IIBD CCC[C@@H](CCO)CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 763006172 OXBFVUUFAKIQST-AWEZNQCLSA-N 433.892 4.029 5 20 IIBD O=C(c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O)N1CCc2c1cccc2[N+](=O)[O-] 763051745 NOHDALSOXPIQNR-UHFFFAOYSA-N 427.819 4.240 5 20 IIBD O=C(NCc1ccc(F)cc1)c1ccc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)cc1 763426480 SAJAQWGIKCQDNK-UHFFFAOYSA-N 429.354 4.194 5 20 IIBD C[C@@H](OC(=O)c1ccn(C2CCCC2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 764159264 KOXCIPWLIAHBFC-LLVKDONJSA-N 440.378 4.109 5 20 IIBD Cc1cc(N2CCC(OCCCNC(=O)OC(C)(C)C)CC2)c2cccc([N+](=O)[O-])c2n1 776291340 BLPPRWHYQBPDIQ-UHFFFAOYSA-N 444.532 4.352 5 20 IIBD COc1cc(C(=O)OCc2ccc(Cl)cn2)c([N+](=O)[O-])cc1OCc1cscn1 778108850 XURMMZGVLHUMRZ-UHFFFAOYSA-N 435.845 4.044 5 20 IIBD C[C@@H](OC(=O)c1c(N)cccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1C(F)(F)F 778145769 ORUVGNRVXLZROA-MRVPVSSYSA-N 431.754 4.033 5 20 IIBD CCC[C@@H]1C[C@@H](C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)CCO1 780390170 USJQSPHRHNDRQN-FBBABVLZSA-N 432.517 4.118 5 20 IIBD O=C(Oc1cc([N+](=O)[O-])ccc1I)[C@H]1CCC[C@@H](C(F)(F)F)C1 781745179 SOQMZIDGJQBXIQ-DTWKUNHWSA-N 443.159 4.474 5 20 IIBD C[C@H](OC(=O)c1cnn(-c2ccc(Cl)nn2)c1C(F)(F)F)c1ccccc1[N+](=O)[O-] 783059249 ATFKAMXFMNAXMZ-VIFPVBQESA-N 441.753 4.161 5 20 IIBD CCc1sc(-c2nnc(COC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)cc1C 784627005 DKZCZZRFANDLLP-UHFFFAOYSA-N 446.441 4.161 5 20 IIBD COc1cc(C(=O)OCc2nnc(-c3cc4c(s3)CCCC4)o2)cc([N+](=O)[O-])c1C 784943505 OHGLCMNWZAYQLV-UHFFFAOYSA-N 429.454 4.259 5 20 IIBD O=C(OCc1c(F)cccc1[N+](=O)[O-])c1cccc(S(=O)(=O)Nc2ccccc2F)c1 785417928 VNOGUAKLCRVOGA-UHFFFAOYSA-N 448.403 4.031 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cc(-c2cccnc2)nc2ccccc12 785419590 GLKPCIXZYBQLNW-UHFFFAOYSA-N 442.431 4.309 5 20 IIBD O=C(OCc1ccc(OCc2ccccn2)cc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 785679044 UMGVQYGNTJSYJJ-UHFFFAOYSA-N 430.420 4.112 5 20 IIBD CC(C)[C@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCc2sccc2C1 785955985 YTSVCUOTPNYVFQ-IBGZPJMESA-N 436.917 4.005 5 20 IIBD COc1cc(C)ccc1-c1noc(-c2cc([N+](=O)[O-])ccc2I)n1 788484763 KVWFNRUIWLLFFZ-UHFFFAOYSA-N 437.193 4.233 5 20 IIBD COc1nc(Br)ccc1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 789419667 OPCVXTWRPKWDPZ-UHFFFAOYSA-N 435.259 4.137 5 20 IIBD Cc1cc(CSc2ccccc2C(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])on1 791553640 NZSNIUFCIOGMMU-UHFFFAOYSA-N 429.410 4.449 5 20 IIBD CN(CCCCCc1cc(-c2ccccc2)no1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 794626977 ONNLSXDQIOYCDX-UHFFFAOYSA-N 436.468 4.460 5 20 IIBD COc1cc(N2CCC(OC(=O)c3cscc3Br)CC2)ccc1[N+](=O)[O-] 797054422 WQHHFVFNVONHOM-UHFFFAOYSA-N 441.303 4.253 5 20 IIBD CCOc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1Br 800929912 AKDWFMDCRQKZKJ-UHFFFAOYSA-N 435.683 4.210 5 20 IIBD Cc1ccc(-n2nc(Br)cc2C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1 801090892 HQJBFKLRILMBID-UHFFFAOYSA-N 443.301 4.166 5 20 IIBD O=C1CCC(COC(=O)CSc2nc3cc([N+](=O)[O-])ccc3n2-c2ccccc2)CC1 803238235 POUWZALGPLKQQQ-UHFFFAOYSA-N 439.493 4.328 5 20 IIBD CCNC(=O)c1cc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])nc2ccccc12 813097038 DHEXGVISUXWBLK-UHFFFAOYSA-N 433.251 4.452 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1n[nH]c(C2CC2)c1Br 815220770 WBDZPTGYRXEMST-UHFFFAOYSA-N 434.168 4.334 5 20 IIBD O=C(OCC[C@H](c1ccccc1)C(F)(F)F)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 816475209 YMELQUACQMFDJB-HUUCEWRRSA-N 440.374 4.072 5 20 IIBD CN(C)C(=O)OC1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 818659802 QMXMEICWFGJEOY-UHFFFAOYSA-N 429.498 4.049 5 20 IIBD O=C(CSC(F)F)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 899259865 SSCIQUMQTASRGP-OAHLLOKOSA-N 430.816 4.427 5 20 IIBD O=C(COC(=O)c1cc(Cl)ccc1Br)Nc1ccc(Cl)c([N+](=O)[O-])c1 913345055 QXJYGSTTYJIFIZ-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD O=C(COC(=O)CCCOc1cccc2ccccc12)Nc1ccc(F)c([N+](=O)[O-])c1 915582346 AVNDBQHIQSRTHF-UHFFFAOYSA-N 426.400 4.228 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 915827735 GFHIMAOHPGRXMU-LBPRGKRZSA-N 441.793 4.254 5 20 IIBD COc1cccc([C@H](C)Nc2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])c1 917091581 YFDXQLXLOPIMDF-VIFPVBQESA-N 426.223 4.456 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1SCc1ccccc1 919798215 OCQNZEHSGGYILR-UHFFFAOYSA-N 435.505 4.185 5 20 IIBD CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2I)[C@@H]1c1ccccc1 919864991 GWXSMKGSBUHHKF-MRXNPFEDSA-N 436.249 4.423 5 20 IIBD C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1OCc1ccccc1 921000931 IIYDXOBYBJFLOA-GDBMZVCRSA-N 434.876 4.350 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])c1nnc(-c2ccccc2Cl)n1C[C@H]1CCOC1 1256727621 BDJJSYPNHXZELY-OAHLLOKOSA-N 427.892 4.180 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cn2)cc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 1318376525 PUICHZWWKOVFPQ-UHFFFAOYSA-N 438.871 4.398 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC(Cc2c(F)cccc2Cl)C1 1322738110 HERWWMSTXSMBDW-UHFFFAOYSA-N 427.657 4.465 5 20 IIBD Cc1c([C@H](C)N[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)cnn1C 1342349942 WGFDDXZUZOJZKI-RNODOKPDSA-N 427.892 4.321 5 20 IIBD Cc1ncoc1C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])CCC2)cc1 1787478947 AGABCDCFEXRKTK-KPKJPENVSA-N 446.463 4.352 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccccn3)CCC2)cc1)c1cc(F)cc([N+](=O)[O-])c1 1790696723 NZIXQHDGOASJKE-UHFFFAOYSA-N 434.427 4.190 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@@H]3CCc4ccccc43)cc2)CCC1)c1ccc([N+](=O)[O-])[nH]1 1791693636 XNEMUDZDIZYVMX-HXUWFJFHSA-N 444.491 4.401 5 20 IIBD O=C(CCC1CCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2cccc([N+](=O)[O-])c2)CCC1 1800038604 JJFLTEQCIYHGSU-WKCHPHFGSA-N 439.556 4.235 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCCC2(CCN(C(=O)c3ccccc3)CC2)C1 1806492697 CJEMHBPFKPHVQC-UHFFFAOYSA-N 435.524 4.072 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CCCC2)CC1 1826256154 ROUUYVLHVQBVHW-NRFANRHFSA-N 445.535 4.466 5 20 IIBD CC[C@H](C)CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830493169 ULYJXPKIWRFZAF-HRAATJIYSA-N 433.524 4.403 5 20 IIBD Cc1ccc(C)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)c1 1832563716 BKJHKTWSRCPVJY-HXUWFJFHSA-N 439.512 4.352 5 20 IIBD COc1cc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCC(C)C 9536756 BTOVGZSWNAHCQB-UHFFFAOYSA-N 436.848 4.087 5 20 IIBD C[C@H]1Cc2cc(C(=O)OCc3nc4ccccc4c4ccccc34)ccc2N1S(C)(=O)=O 10376916 FJTHIVPFNBIBHG-INIZCTEOSA-N 446.528 4.456 5 20 IIBD Cc1nc(-c2ccccc2)ccc1C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 16166306 GTZROLZAUGTRNH-UHFFFAOYSA-N 425.828 4.414 5 20 IIBD O=C(c1ccc2ccccc2n1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 22920027 ZCSPWXKNJPYJJN-UHFFFAOYSA-N 430.386 4.124 5 20 IIBD COc1ccc(-n2c(Sc3ccc([N+](=O)[O-])cn3)nnc2-c2cccc(OC)c2)cc1 23615731 STJURQLHFYJDSN-UHFFFAOYSA-N 435.465 4.406 5 20 IIBD Cc1cccc(NS(=O)(=O)c2cc(NC(=O)Cc3ccccc3[N+](=O)[O-])ccc2C)c1 28700946 GLMKPBNZFHYUKF-UHFFFAOYSA-N 439.493 4.194 5 20 IIBD CCn1c(SCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)nnc1-c1ccc(Cl)cc1 29890954 CMPNFVSJEAONEZ-UHFFFAOYSA-N 443.916 4.208 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccccc1[N+](=O)[O-] 60525922 ZUHCNUALVATLSP-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD O=C(NC1CC1)c1ccc(NCc2ccc(-n3cnc4ccccc43)cc2)c([N+](=O)[O-])c1 60874327 WBHLBXNYUDCIHO-UHFFFAOYSA-N 427.464 4.438 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1cccc(OCc2ccccn2)c1 64420697 RXTKKTYEHVJZHT-OAHLLOKOSA-N 441.871 4.306 5 20 IIBD CC1CCN([C@@H](CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1 65104886 BOEFVCYMFZJYGZ-QHCPKHFHSA-N 447.539 4.198 5 20 IIBD O=C(CCC(=O)N1CCc2sccc2C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 71970864 JHVZKNFRDLHRCE-UHFFFAOYSA-N 442.522 4.083 5 20 IIBD CN(c1ccc(Oc2ncc([N+](=O)[O-])cc2Cl)cc1)S(=O)(=O)c1ccccc1F 301266916 IBHFNTUXNXKNCN-UHFFFAOYSA-N 437.836 4.400 5 20 IIBD COc1cc(C(=O)N(CC(F)(F)F)C2CCC2)c([N+](=O)[O-])cc1OCc1cscn1 427921283 GVZLFTCSPKIDAA-UHFFFAOYSA-N 445.419 4.196 5 20 IIBD O=C(N=c1nc(-c2ccccc2)[nH]s1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 429118361 VVHSZPKASSZYRV-UHFFFAOYSA-N 432.461 4.367 5 20 IIBD COc1c(F)cc(S(=O)(=O)N2C[C@H](c3ccccc3)c3ccccc32)cc1[N+](=O)[O-] 435728471 MHMCQINDFTYUMC-QGZVFWFLSA-N 428.441 4.083 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1O)N(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 436864028 MPQNRMWTYBLNEM-JOCHJYFZSA-N 446.507 4.002 5 20 IIBD O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437280192 ZPDUJMCDYUTVCI-UHFFFAOYSA-N 426.738 4.247 5 20 IIBD O=C(Nc1ccc(N2CCOCC2)cn1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 440463696 FAMQELMOEBNNAN-UHFFFAOYSA-N 436.493 4.230 5 20 IIBD COc1cc(-c2nnc(Sc3c(F)cc([N+](=O)[O-])cc3F)o2)cc(OC)c1OC 440601397 ZYSLJDBVHQNVLD-UHFFFAOYSA-N 425.369 4.100 5 20 IIBD CO[C@H](C)CN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(C)C 441157167 OSXCNEDERWCDMQ-CYBMUJFWSA-N 437.543 4.018 5 20 IIBD O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCN(c2ccc(F)cn2)CC1 441296738 OQAXMMUZPADRQE-UHFFFAOYSA-N 438.484 4.243 5 20 IIBD C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1ccc(C(F)(F)F)cc1 443402277 GPLWXMDZSMLMER-LBPRGKRZSA-N 428.432 4.232 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H](c2nc3ccc(F)cc3o2)C1 443637980 CMWCECSWNVYKLL-AWEZNQCLSA-N 442.447 4.092 5 20 IIBD CN1CC[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)[C@H]1c1ccccc1 444284937 HPSPAOWTVBFXHA-NFBKMPQASA-N 433.458 4.135 5 20 IIBD O=C(NCCc1ccc(OC(F)(F)F)cc1)c1sc(Br)cc1[N+](=O)[O-] 444862947 DTDSESUJAIGQJM-UHFFFAOYSA-N 439.209 4.290 5 20 IIBD Cc1ccc(-c2nnc(NC(=O)c3sc(Br)cc3[N+](=O)[O-])s2)c(C)c1 445197967 USOOOWORTNSIOW-UHFFFAOYSA-N 439.316 4.806 5 20 IIBD Cc1ccc(-n2nc(C)cc2NC(=O)Cc2noc(/C=C/c3ccc([N+](=O)[O-])cc3)n2)cc1 445488191 CNADOCWVKWAVNV-KPKJPENVSA-N 444.451 4.132 5 20 IIBD Cc1cccc(-c2nnc(-c3ccc(-c4nc(-c5c([N+](=O)[O-])nc(C)n5C)no4)cc3)o2)c1 445621401 QGKMFCSUBAEVJY-UHFFFAOYSA-N 443.423 4.379 5 20 IIBD CC(C)n1cc2cc(NS(=O)(=O)c3ccc(Br)cc3[N+](=O)[O-])ccc2n1 461451494 DKRBDJULPLHOST-UHFFFAOYSA-N 439.291 4.089 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(-c2ccccc2F)n1C[C@@H]1CCOC1 461569863 UNSDEWRTIOZJRE-SFHVURJKSA-N 439.491 4.444 5 20 IIBD Cc1ccsc1-c1nnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1C[C@H]1CCOC1 461582423 JFEPLMMHVNXLPY-QGZVFWFLSA-N 439.541 4.429 5 20 IIBD Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 464703750 LAGZDDYYKUXHTI-WMZHIEFXSA-N 434.496 4.201 5 20 IIBD COc1ccc([C@H]2CCCCCN2C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 465055681 NPGHXQQSISFLHJ-LJQANCHMSA-N 426.469 4.061 5 20 IIBD O=C(COc1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Nc1cccnc1 466451740 LQXUCRPOSFCYCL-UHFFFAOYSA-N 441.831 4.305 5 20 IIBD COC(=O)c1cccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1OC(C)C 466657528 DGYNSKMICVRHLM-UHFFFAOYSA-N 427.457 4.021 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NC[C@]3(C)CCO[C@H]3C3CC3)cc2[N+](=O)[O-])n1 466843644 FRTFMERMDBQMJF-PXNSSMCTSA-N 433.555 4.446 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc2nc(Cc3ccccc3)oc2c1 466913114 PPJMIJKJLAXGLT-UHFFFAOYSA-N 444.447 4.085 5 20 IIBD C[C@@]1(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCCS1 467319364 IUDHFPZJCVJYCQ-QHCPKHFHSA-N 436.537 4.392 5 20 IIBD Cc1n[nH]cc1CNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 467817328 LCZQZMWUYUBIIM-UHFFFAOYSA-N 433.827 4.211 5 20 IIBD C[C@H]1OCC[C@]1(O)CN(Cc1ccccc1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 468735199 QABGFRCRDCFUDM-OSPHWJPCSA-N 426.513 4.075 5 20 IIBD C[C@H](O)C[C@H](CNC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)c1ccccc1 468801067 BOTQXQNKTZQQII-NXWNEQKCSA-N 439.556 4.362 5 20 IIBD O=C(CCCCc1cnn[nH]1)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 469210657 POEXUBMUBMVQHB-UHFFFAOYSA-N 447.854 4.327 5 20 IIBD COc1cc(C(=O)N(C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])cc1OC 470733354 OFNXWOMZRKJKMU-LLVKDONJSA-N 443.283 4.458 5 20 IIBD COc1c(C(=O)Nc2cc(C)nn2-c2cccc(Br)c2)cccc1[N+](=O)[O-] 475533195 XUXRONWUQBKNBN-UHFFFAOYSA-N 431.246 4.112 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CCc3c(cccc3C(C)C)C2)ccc1[N+](=O)[O-] 476090741 MDFIWDVPVXKDJV-QHCPKHFHSA-N 435.524 4.216 5 20 IIBD Cc1c(Cl)cccc1-n1c(SCc2c([N+](=O)[O-])ncn2C)nc2ccccc2c1=O 476468897 FFXXTOQOLVNMET-UHFFFAOYSA-N 441.900 4.282 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCc2cc(Br)cc(F)c21 478415941 IDRZBDFUPJYFQP-UHFFFAOYSA-N 434.265 4.300 5 20 IIBD CC(C)N(C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1cccc(C(F)(F)F)c1 479076505 HEZKNPKYSFCBMU-UHFFFAOYSA-N 430.404 4.072 5 20 IIBD C[C@@H](NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)c1ncon1 479620176 OEOWVYAQYBWVAY-QQFZQELXSA-N 435.465 4.396 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N(C)C[C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] 484438138 MIEIWUIYDLGCOK-OXJNMPFZSA-N 442.537 4.171 5 20 IIBD COc1ccc(C(=O)C2CCN(C(=O)c3cc(SC)c(OC)cc3[N+](=O)[O-])CC2)cc1 484795327 TYZHDNSIHKCABL-UHFFFAOYSA-N 444.509 4.069 5 20 IIBD O=C(Nc1cccc(-n2cnnc2O)c1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 487106453 HVZXXCWILBVJKU-UHFFFAOYSA-N 433.449 4.285 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCn2c(cc3ccc(Cl)cc32)C1 487261519 BABIEOMRRJJIGI-UHFFFAOYSA-N 438.915 4.462 5 20 IIBD COc1ccc(Br)cc1CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 487980463 UBGJVIWQISMIMP-UHFFFAOYSA-N 434.290 4.240 5 20 IIBD Cn1c(C(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2F)ccc1[N+](=O)[O-] 489227623 XCIDKYOIOBCSHY-SFHVURJKSA-N 432.249 4.354 5 20 IIBD COc1c(S(=O)(=O)Nc2cccc(SC)c2)cc(Br)c(C)c1[N+](=O)[O-] 491603671 FODDROUFRIKHLH-UHFFFAOYSA-N 447.332 4.197 5 20 IIBD Cc1cccc([C@@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C(C)(C)C)c1 493986293 URJFLFMZGJXTKR-QGZVFWFLSA-N 435.427 4.347 5 20 IIBD COCCN(C(=O)c1csc(C2CC2)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 494101011 RJBWTEYVBULAEI-UHFFFAOYSA-N 430.511 4.345 5 20 IIBD O=C(Nc1cccc(Cl)c1)N1CCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 497870155 RXFDKQPDFUKWFY-UHFFFAOYSA-N 437.283 4.282 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 499546284 DOJFKYOUAVZSEC-FQEVSTJZSA-N 434.427 4.264 5 20 IIBD C/C(=C\c1ccccc1C(F)(F)F)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 500432092 XORWGMYJYFNAES-WYMLVPIESA-N 428.432 4.080 5 20 IIBD CCOc1cc(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)c([N+](=O)[O-])cc1OCC 501850806 OVKDABUNHUVKIH-IBGZPJMESA-N 442.516 4.351 5 20 IIBD COc1cc(CCNC(=O)C2(c3ccccc3C)CCCCC2)c([N+](=O)[O-])cc1OC 503421046 MFPAPLSCBYPCSO-UHFFFAOYSA-N 426.513 4.481 5 20 IIBD Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 506287572 CKGHTNJICIDRDT-UHFFFAOYSA-N 425.466 4.091 5 20 IIBD O=C(Nc1ccc(Br)cc1)C1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 506638207 BSNZCOIEJLVSCL-UHFFFAOYSA-N 436.281 4.347 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1ccc(OCC2CCCCC2)cc1 506756041 HXGGEGUQSLRFCH-UHFFFAOYSA-N 439.512 4.194 5 20 IIBD CCc1cc(=N[C@H](C)c2cc(OC)c(OC)c(OC)c2)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 507114783 BMQQSQUPPSCSIO-CQSZACIVSA-N 438.484 4.235 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1(Cc2cccc(F)c2)CCOCC1 508521690 WTEURAMDUPOGAA-UHFFFAOYSA-N 440.393 4.408 5 20 IIBD COc1cc(CNCc2ccc3c(c2)OCCO3)c([N+](=O)[O-])cc1OCc1ccccc1 509608794 NPNDHFNQHQELPO-UHFFFAOYSA-N 436.464 4.243 5 20 IIBD Cc1nn(CCC(=O)N2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)c(C)c1[N+](=O)[O-] 509835976 CKUASCWSDURGTB-SFHVURJKSA-N 438.532 4.135 5 20 IIBD CC(C)(CNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C(=O)O 510106629 QIBCKKWOHOFLQY-PTNGSMBKSA-N 439.493 4.362 5 20 IIBD COc1cc(C(=O)Nc2ccc(N(C)C)cc2C)c([N+](=O)[O-])cc1OCc1cscn1 512184020 HLDOIAZLWBLKBH-UHFFFAOYSA-N 442.497 4.266 5 20 IIBD Cn1ccnc1[C@@H](NCCc1ccc(F)c(Br)c1)c1cccc([N+](=O)[O-])c1 513656502 UHJLNNBCRJGUBP-SFHVURJKSA-N 433.281 4.152 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccsc2)cccc1[N+](=O)[O-] 516742101 FIZSDQCWHKGFON-SFHVURJKSA-N 429.885 4.462 5 20 IIBD CC(C)N1C(=O)N(Cc2cccc([N+](=O)[O-])c2)C(=O)[C@@H]1c1ccc(Br)cc1 516839097 GLNGXMLOGMLTKC-KRWDZBQOSA-N 432.274 4.271 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@@H](c1ccc(F)cc1)C1CCC1 520531582 RCXNULUQAXFNLZ-OAQYLSRUSA-N 427.432 4.080 5 20 IIBD C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 521722934 MGYFQCWZHBLCAW-NSHDSACASA-N 443.809 4.216 5 20 IIBD O=C1c2ccccc2N[C@@H](c2csc(-c3cccc([N+](=O)[O-])c3)n2)N1C[C@@H]1CCCO1 522195525 ZQYVDIMBBWODLT-OXJNMPFZSA-N 436.493 4.464 5 20 IIBD Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c(Br)c1 522486822 VXSIIOTWFRQEBS-GOSISDBHSA-N 446.301 4.217 5 20 IIBD CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 523222984 DXOPLOVWYNZSBX-FQEVSTJZSA-N 429.904 4.210 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cc(Cl)ccc1C(=O)N1CCCCC1 524382335 YDZKFVUJNIBVDC-UHFFFAOYSA-N 431.876 4.282 5 20 IIBD CC1CCN(c2ccc(C(=O)NCc3nc(C(F)(F)F)cs3)cc2[N+](=O)[O-])CC1 524873773 KMRVMKSAZVPXPL-UHFFFAOYSA-N 428.436 4.236 5 20 IIBD O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 525153178 BAWYAZYPZIYHME-SFHVURJKSA-N 436.295 4.464 5 20 IIBD COc1cc(NC(=O)COc2ccc(Br)cc2[N+](=O)[O-])c(OC)cc1Cl 525627473 PZNYMKYNXSDECP-UHFFFAOYSA-N 445.653 4.045 5 20 IIBD CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1cc(I)cc([N+](=O)[O-])c1 526062247 DZBMEQKTLPKJQF-LLVKDONJSA-N 442.175 4.002 5 20 IIBD COc1ccc(S(=O)(=O)N(C)[C@H](c2ccncc2)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 531380741 YBSZYYAQWLONLW-FQEVSTJZSA-N 447.900 4.062 5 20 IIBD Cc1cc(NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)ccc1[N+](=O)[O-] 537451931 KERFYVHYFYPYGF-UHFFFAOYSA-N 435.402 4.413 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N[C@@H]2CCc3c(O)cccc32)c([N+](=O)[O-])c1 538095713 VKACDASPFOAVJF-LJQANCHMSA-N 432.432 4.417 5 20 IIBD COc1ccccc1Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)cc1 540664403 UQVVYPTUCAIPJL-UHFFFAOYSA-N 449.463 4.485 5 20 IIBD O=C(N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)C1(c2cncc(Br)c2)CC1 542184560 CKDCATLSMKWWSU-MRXNPFEDSA-N 434.315 4.058 5 20 IIBD O=C(NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)c1ccc([N+](=O)[O-])cc1F 542386131 FMOXJCDVRYEQQK-UHFFFAOYSA-N 426.275 4.435 5 20 IIBD O=C(NCc1cccc(-n2cncn2)c1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 542553048 FJDYCZBVSTWCDV-UHFFFAOYSA-N 437.525 4.388 5 20 IIBD O=C(c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)N1C[C@H]2[C@H](O)CC[C@H]2C1 543354275 DYCVTSSDQVKJLU-JJRVBVJISA-N 441.534 4.199 5 20 IIBD Cc1nc([C@@H]2CCCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2)n[nH]1 544599239 YAUJGMWKWPTKGK-CYBMUJFWSA-N 446.305 4.423 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3cnn(Cc4ccccc4)c3)n2)c(Br)c1 545005249 UZVJMQUHZFVZRE-UHFFFAOYSA-N 440.257 4.243 5 20 IIBD O=C1CCCN1Cc1ccc(-c2ccccc2-c2noc(-c3cc([N+](=O)[O-])c[nH]3)n2)cc1 545613047 JOXQVHXFIBPMCX-UHFFFAOYSA-N 429.436 4.429 5 20 IIBD COc1cc(Cc2noc([C@@H](C)c3c(C)nn(CC(F)(F)F)c3C)n2)ccc1[N+](=O)[O-] 545779603 KOVHFOWNHUDLKZ-JTQLQIEISA-N 439.394 4.105 5 20 IIBD COc1cc(-c2nc(Cc3ncc(C(F)(F)F)cc3Cl)no2)cc([N+](=O)[O-])c1OC 546335365 BQOVYJHAODYHMM-UHFFFAOYSA-N 444.753 4.320 5 20 IIBD O=[N+]([O-])c1cc2c(cc1Cc1nc(-c3ccc(Oc4cccnc4)cc3)no1)OCCO2 547089907 NRFYMEHVOBUHTE-UHFFFAOYSA-N 432.392 4.194 5 20 IIBD COc1cc(Cc2noc(-c3cn(-c4ccc(Cl)cc4)nc3C)n2)ccc1[N+](=O)[O-] 547199626 DYVFMQASWNOJTO-UHFFFAOYSA-N 425.832 4.392 5 20 IIBD C[C@@H](NC1(Cc2ccc(F)cc2)CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 550191039 WKDQOPZXRNUNIE-CQSZACIVSA-N 435.883 4.096 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2nnc(C)n2C)c1 555886082 ZLCVNNYVGGFHOM-UHFFFAOYSA-N 430.262 4.022 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)Cn1c(COc2ccccc2)nc2ccccc21 557080274 YYAUGDBQXRJPGS-UHFFFAOYSA-N 444.491 4.225 5 20 IIBD CC(C)(C(=O)N1CCO[C@H](c2cccc(Br)c2)C1)c1ccccc1[N+](=O)[O-] 559364496 PVVHBOKEGAOFRC-SFHVURJKSA-N 433.302 4.235 5 20 IIBD O=C(Nc1ccc(OC(F)(F)F)cc1Br)c1n[nH]c2ccc([N+](=O)[O-])cc12 559558439 YKWZBWMYWNANRD-UHFFFAOYSA-N 445.151 4.385 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CN2CCC(F)(c3cccnc3)CC2)c1 564392950 GDFBTAFKBYFAJY-UHFFFAOYSA-N 441.244 4.055 5 20 IIBD COc1cc(C)c([C@H](C)NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1OC 569497657 MFBPRBASSPLJEY-AWEZNQCLSA-N 443.500 4.034 5 20 IIBD C[C@@H](C(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 569546411 OYHFUVJOJICZFG-LLVKDONJSA-N 443.809 4.468 5 20 IIBD CCOc1ccc(-c2noc([C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)cc1F 570007753 DOGWJHIYXXDAIJ-GOSISDBHSA-N 440.431 4.468 5 20 IIBD Cc1ccc(CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])c(OCC(F)(F)F)c1 570069333 OTGQSYTUCPEWBB-UHFFFAOYSA-N 425.407 4.228 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](Cc1ccccc1)c1ccccc1F 573411395 HOEJQAQQEIZZBT-QFIPXVFZSA-N 435.455 4.335 5 20 IIBD COC(=O)c1ncc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Cl 579184904 RJZULHCONNLNDM-UHFFFAOYSA-N 449.794 4.179 5 20 IIBD CCN(C(=O)c1cc(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)ccc1Cl)C(C)C 582701590 DCFHKNZUQKQEDF-UHFFFAOYSA-N 448.907 4.319 5 20 IIBD COc1cc(Cl)c(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)cc1C 583228094 DUBMCJGXUIOZHC-UHFFFAOYSA-N 446.628 4.422 5 20 IIBD C/C(=C\c1ccccc1)CN(C)C(=O)c1cc(I)cc([N+](=O)[O-])c1 583417326 VZZNOKVAZISPCW-MDWZMJQESA-N 436.249 4.375 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@H](C)c3nccn3-c3ccccc3)cc2)c(C)c1[N+](=O)[O-] 588778345 CASPKYMLUKYTDQ-QGZVFWFLSA-N 444.495 4.133 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2c2nc(-c3ccnc(OC(C)C)c3)no2)ccc1[N+](=O)[O-] 589112136 WDBMWJMSKSNEOB-SFHVURJKSA-N 437.456 4.113 5 20 IIBD COc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)o1 594669446 UFXGZWQKICOZLI-SNVBAGLBSA-N 434.861 4.426 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1 603501347 JKANSBISYBSFIX-GJZGRUSLSA-N 445.541 4.131 5 20 IIBD CC(C)N(Cc1cc(Br)ccc1F)C(=O)COc1cccc([N+](=O)[O-])c1 603568736 MUFNVNCYYFOKKV-UHFFFAOYSA-N 425.254 4.312 5 20 IIBD COC(=O)c1c(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)sc2c1CCCCC2 603741874 ITIGBZOKIMQEMC-UHFFFAOYSA-N 440.481 4.150 5 20 IIBD COc1cccc2c1O[C@H](c1cn(-c3ccccc3)nc1-c1ccc([N+](=O)[O-])cc1)NC2=O 603805559 QBKSZMDAOQKOES-XMMPIXPASA-N 442.431 4.277 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)c([N+](=O)[O-])cc1OC 603993468 XHKVRTIUCANNJS-OAHLLOKOSA-N 441.484 4.269 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc2ccc(OCC(F)(F)F)cc2s1 608928231 IEPQAVFEKREWHZ-UHFFFAOYSA-N 447.416 4.255 5 20 IIBD COc1ccc(CC(=O)N(Cc2cc(Br)ccc2F)C2CC2)cc1[N+](=O)[O-] 609009874 DMFMBYVFWBXQHD-UHFFFAOYSA-N 437.265 4.239 5 20 IIBD CCC[C@H](Cc1ccccc1)NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 609034093 VQHBXAPVNPLEGJ-QGZVFWFLSA-N 425.514 4.016 5 20 IIBD O=C(NCC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21)c1c(Cl)cccc1[N+](=O)[O-] 609494147 GQJNLSQUCQIZMB-GOSISDBHSA-N 427.888 4.047 5 20 IIBD O=C(Nc1cccc(C[S@@](=O)C2CCCCC2)c1)c1n[nH]c2ccc([N+](=O)[O-])cc12 609737925 GQKJSCKUOQWQLF-SSEXGKCCSA-N 426.498 4.305 5 20 IIBD COc1cc(F)cc2sc(NC(=O)c3ccc([N+](=O)[O-])cc3Br)nc12 610044777 RTJCJPNORMPZSK-UHFFFAOYSA-N 426.223 4.367 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3cnc4c(c3)COCC4)cc2[N+](=O)[O-])n1 611476304 GEMDOHWEFKZTIZ-UHFFFAOYSA-N 428.495 4.231 5 20 IIBD Cn1ccnc1[C@@H](NCCc1cccc(OCC(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 619434387 KVKNFDMHWMCDPR-IBGZPJMESA-N 434.418 4.191 5 20 IIBD COc1cc(CCNC(=O)Nc2cccc(SC(F)F)c2)c([N+](=O)[O-])cc1OC 727598146 GWQFLIJKVDDKJQ-UHFFFAOYSA-N 427.429 4.291 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCc1nnc(-c2ccccc2Cl)o1 728837159 IEQPIWFZAHZZET-JTQLQIEISA-N 438.223 4.462 5 20 IIBD CCn1c(S)nnc1CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 731228629 HPNJZYSWLJUDFV-UHFFFAOYSA-N 449.945 4.230 5 20 IIBD Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 731628414 VOCCWUZQRPLERK-UHFFFAOYSA-N 436.468 4.216 5 20 IIBD O=C(COC(=O)C[C@@H]1CCc2ccccc2C1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 732585428 FWOSFYZHLITXJG-CYBMUJFWSA-N 436.386 4.291 5 20 IIBD COc1ccc(-c2nc(COC(=O)c3cc(O)nc4ccc([N+](=O)[O-])cc34)cs2)cc1 735353822 MVYTYCSGWOVFNA-UHFFFAOYSA-N 437.433 4.338 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 740814244 NNQMNAUVOFTITH-GOSISDBHSA-N 448.907 4.042 5 20 IIBD COc1cccc(-n2c(NC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)nc3ccccc32)c1 741993022 XBBFSLBTMKTQGP-UHFFFAOYSA-N 447.407 4.411 5 20 IIBD O=Cc1ccc(OCC(=O)NCc2ccc(Oc3ccccc3F)c(F)c2)c([N+](=O)[O-])c1 742111109 GVIABHYBQYWYID-UHFFFAOYSA-N 442.374 4.173 5 20 IIBD CCC[C@H]1CCc2c(sc(=O)n2CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 743391004 RECVKFZNXUSSIY-INIZCTEOSA-N 431.558 4.224 5 20 IIBD O=C(O[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1cc2cc([N+](=O)[O-])ccc2o1 744764573 OWCAUTMSZGTVJX-QGZVFWFLSA-N 446.362 4.295 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)[C@H](C)c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 745311122 RRUCXILHYLUMHL-NEPJUHHUSA-N 440.374 4.296 5 20 IIBD O=C(COC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)N[C@H](c1ccc(F)cc1)c1cccs1 747843056 MFRMAPAVQDCEKY-KFRSGLOMSA-N 440.452 4.258 5 20 IIBD O=C(OCc1ccnc(-c2ccc(Br)cc2)n1)c1cc([N+](=O)[O-])ccc1F 750007994 QFVUUCIPTWLAOW-UHFFFAOYSA-N 432.205 4.310 5 20 IIBD O=C(NCc1cccc(COCC(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 750515151 BWLQWQFOUDDRNE-UHFFFAOYSA-N 437.418 4.204 5 20 IIBD CC(C)[C@@H](C(=O)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccc(Cl)c1 750693262 HQUPJWTVAIGFGI-OAHLLOKOSA-N 431.297 4.146 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)C1(c2ccc(Br)cc2)CCOCC1 751071538 AGFDXEXAGDLXDH-UHFFFAOYSA-N 441.228 4.322 5 20 IIBD O=C1N(CN2CCC(c3nc4ccccc4s3)CC2)CCN1c1ccccc1[N+](=O)[O-] 752785401 FIVAEWCYLHXCPB-UHFFFAOYSA-N 437.525 4.284 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 755103538 PZLSFMRMUDFCOT-UHFFFAOYSA-N 433.420 4.147 5 20 IIBD C[C@H](OC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1nc2cc(Br)cnc2[nH]1 755665909 SVZKFHSVESFJHC-BDAKNGLRSA-N 437.225 4.176 5 20 IIBD C[C@H](NC(=O)COC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc2ccccc2c1 758736060 MUGDMPXXFMYFEM-HNNXBMFYSA-N 431.448 4.192 5 20 IIBD Cc1ccc(NC(=O)c2cccc(OS(=O)(=O)Cc3ccccc3[N+](=O)[O-])c2)cc1 759020922 HRTAJJORCIBYLN-UHFFFAOYSA-N 426.450 4.064 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 760084468 JEBQFSABKWHBDB-CQSZACIVSA-N 426.212 4.103 5 20 IIBD Cc1cnc(C2CCN(c3ccc(S(=O)(=O)C(F)(F)F)cc3[N+](=O)[O-])CC2)s1 763090429 LBFYNEHLGCXMGA-UHFFFAOYSA-N 435.449 4.037 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1nc(-c2ccccc2C)no1 763812284 ZWUULQHFPQCENR-UHFFFAOYSA-N 429.454 4.049 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CCC(OC[C@@H]2CCCO2)CC1 764283310 PSWVJGQNOPVEMP-SFHVURJKSA-N 434.558 4.430 5 20 IIBD Cc1ccc(CNC(=O)C2CCN(C(=O)Nc3ccc([N+](=O)[O-])c(Cl)c3)CC2)cc1F 769996622 FMROYSGYWHEMDS-UHFFFAOYSA-N 448.882 4.256 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)[C@H](c1ccc(Br)cc1)N1CCCC1 770264363 VDBPHOHTAORQCK-KRWDZBQOSA-N 440.244 4.411 5 20 IIBD COc1c([N+](=O)[O-])cc(NCc2ccc(C(C)(C)O)cc2)c([N+](=O)[O-])c1Br 772232620 UIESQSNYKQORSK-UHFFFAOYSA-N 440.250 4.114 5 20 IIBD C[C@@H](OC(=O)c1cnc(Oc2ccccc2)cn1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 773669028 LFWPOYDLBHDZMP-CYBMUJFWSA-N 433.380 4.145 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C 778166215 AVSDKGROEIZISL-NSHDSACASA-N 429.395 4.216 5 20 IIBD C[C@H](NC(=O)CC(C)(C)C)C(=O)O[C@@H](c1ccc(Br)cc1)C(C)(C)[N+](=O)[O-] 778723984 HWFSIIGWOPCWTK-LRDDRELGSA-N 443.338 4.030 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 780290444 WMCOSGBAENACOV-AWEZNQCLSA-N 430.482 4.484 5 20 IIBD O=C(NCc1ccc(-n2ccnc2)cc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 780496113 HGUFLGPHYIZCKB-UHFFFAOYSA-N 430.414 4.075 5 20 IIBD O=C(OCc1ncc(-c2cccc(Cl)c2)o1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781651681 RCRWYAQKTXFPLF-QGZVFWFLSA-N 427.800 4.140 5 20 IIBD C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 782382881 RFXLQVFXZVCJNY-LLVKDONJSA-N 437.330 4.174 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc2)nc1 783298066 LCCJGGVQPTZPJY-UHFFFAOYSA-N 446.463 4.220 5 20 IIBD Cc1cc(F)cc(C(=O)Nc2ccc(OCCNC(=O)OC(C)(C)C)cc2)c1[N+](=O)[O-] 784127650 ZBIFGPLSJJRPPS-UHFFFAOYSA-N 433.436 4.198 5 20 IIBD CC[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br)C1CCCCC1 784698186 JULXYKFCMFNGMA-AWEZNQCLSA-N 426.311 4.079 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 786992821 VQHNJHCGLZWGSK-GJZGRUSLSA-N 444.488 4.269 5 20 IIBD CC[C@@H]1c2ccsc2CCN1C(=O)COC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790744558 GRVJNKQBTQCCRZ-OAHLLOKOSA-N 440.880 4.071 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Oc2cccc(Oc3cccnc3)c2)c(C)c1[N+](=O)[O-] 790864040 DCHXVAUKOOBVES-UHFFFAOYSA-N 445.409 4.075 5 20 IIBD C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 792181340 NSKVCYQWCOZQPR-QWHCGFSZSA-N 429.864 4.366 5 20 IIBD C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 792181342 NSKVCYQWCOZQPR-STQMWFEESA-N 429.864 4.366 5 20 IIBD CCc1c(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cnn1-c1cccc(Cl)c1 792515447 HODOWEJKBUHSEM-UHFFFAOYSA-N 429.820 4.465 5 20 IIBD O=C(C[C@@H]1CCCOC1)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 795918795 ZZXONPJMAOZILY-VBKZILBWSA-N 432.860 4.288 5 20 IIBD CC(C)(C)OC(=O)NC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)C(C)(C)C 798812722 RYWDCIPXDWWSHN-AWEZNQCLSA-N 444.326 4.027 5 20 IIBD CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Br 801044555 YAJSKWJIQJFBTC-LJQANCHMSA-N 446.345 4.388 5 20 IIBD CC(C)N(Cc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(CC(=O)N(C)C)cc1 801554938 AYZMFESMOLEWPH-UHFFFAOYSA-N 434.334 4.403 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H](F)c1ccc(C(F)(F)F)cc1 801896308 UIXYUCYGMBKOAZ-HNNXBMFYSA-N 425.294 4.418 5 20 IIBD COc1cc(C(=O)Nc2ccc(Cl)c(SC(=O)N(C)C)c2)c([N+](=O)[O-])cc1OC 805431685 AVXLPTLFJZTCFV-UHFFFAOYSA-N 439.877 4.291 5 20 IIBD O=C(Cc1cccc(OCc2cccnc2)c1)O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 810628199 CSVYJSVMFPPERC-NHCUHLMSSA-N 436.468 4.035 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(C(=O)OCc2ccccc2)cc1 813282498 WYMYAVXMXDCIRW-UHFFFAOYSA-N 434.448 4.281 5 20 IIBD CN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] 814994773 ZVTUDEYZNXEBRK-UHFFFAOYSA-N 426.775 4.227 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)c1 817649831 DVIHOVOEZYGUHW-QZTJIDSGSA-N 431.533 4.403 5 20 IIBD CC(=O)N(c1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1)[C@H]1C[C@H]1C 819098407 GSFRIMRZNCBLJR-ZMZPIMSZSA-N 426.429 4.133 5 20 IIBD O=C1N[C@H](c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)Nc2ccc(N3CCOCC3)cc21 877847575 CDFIZMRJVKPGBH-HSZRJFAPSA-N 446.463 4.078 5 20 IIBD C[C@H](c1ccccc1Cl)N(C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)C1CC1 914479481 AVRIPPCIILWEBY-KGLIPLIRSA-N 445.878 4.492 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)CCOc2ccc3ccccc3c2)c([N+](=O)[O-])c1 914913476 YZJUIGJEFKSBRZ-OAHLLOKOSA-N 438.436 4.096 5 20 IIBD Cc1ccc(Nc2ccccc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 916110606 XDKKLVCAMTXELL-UHFFFAOYSA-N 428.426 4.356 5 20 IIBD COc1c([N+](=O)[O-])cc(NCCOc2ccccc2C)c([N+](=O)[O-])c1Br 917522953 JQCNAWHRNAVYHP-UHFFFAOYSA-N 426.223 4.073 5 20 IIBD CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2cc(Cl)cc(Cl)c2)NC(=S)N1 917879197 NPAXQTZALLEEQE-MRXNPFEDSA-N 437.308 4.333 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1cc2sc(Nc3ccccc3)nc2s1 917943936 OHYHQTBJWRJFNK-UHFFFAOYSA-N 429.483 4.372 5 20 IIBD O=C(CSCc1ccc(Br)cc1)OCCOc1ccccc1[N+](=O)[O-] 918984167 VCZKXHPSWICRDQ-UHFFFAOYSA-N 426.288 4.213 5 20 IIBD C[C@@H](c1ccco1)N(C(=O)c1cc([N+](=O)[O-])ccc1I)C1CC1 919859550 MGKCYJUNOWKBOQ-JTQLQIEISA-N 426.210 4.158 5 20 IIBD O=C(c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O)N1Cc2ccc([N+](=O)[O-])cc2C1 1320759863 DZUOQYKPKUDLKN-UHFFFAOYSA-N 427.416 4.385 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc2ccc(Br)cc2s1 1322377107 MYGMXALIYWRJIF-UHFFFAOYSA-N 428.289 4.076 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1Cc2ccc(O)cc2C2(CC2)C1 1347442110 MMXAKTRUZGNQLP-UHFFFAOYSA-N 437.677 4.404 5 20 IIBD CCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])[nH]n1 1821940375 YEGCHEKJFRMESE-HYSAVQALSA-N 439.516 4.460 5 20 IIBD Cc1scc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)c1C 1823611490 HTJLQRMCCBRSGL-GOSISDBHSA-N 445.541 4.413 5 20 IIBD Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)c1 1823613963 OKGBCRRIZRZZII-LJQANCHMSA-N 425.485 4.043 5 20 IIBD Cc1cccc(C)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823614963 IAPIFSDDZGHXEL-IBGZPJMESA-N 439.512 4.352 5 20 IIBD C[C@@H]1C[C@]1(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1830216018 HVGYBZQOHJVOMN-KPCPBYSCSA-N 441.572 4.193 5 20 IIBD Cc1occc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830615026 OKFANMVQFQSXQQ-NRFANRHFSA-N 443.475 4.182 5 20 IIBD Cc1occc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830617288 XKHDSVWELZUJQQ-FQEVSTJZSA-N 443.475 4.182 5 20 IIBD O=C(C1CC1)N1CCCC[C@H]1C1CCN(C(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)CC1 1832528429 UEWPYKJLCFJDQY-QFIPXVFZSA-N 439.556 4.046 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CC3(CCCN3C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)s1 1845403176 NEZZSSWMHHOKTF-UHFFFAOYSA-N 445.516 4.224 5 20 IIBD CCn1c(SCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])nnc1-c1ccco1 11271774 ZUCLVJSLNAIHRM-UHFFFAOYSA-N 426.401 4.369 5 20 IIBD COCCCn1c(SCc2cc([N+](=O)[O-])ccc2OC)nc2cc(Cl)ccc2c1=O 12091754 PTHWXHKHCKKQJZ-UHFFFAOYSA-N 449.916 4.296 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)CCSc2ccccc2Cl)c([N+](=O)[O-])c1 15809636 RVHZDXQYAXMDSZ-LBPRGKRZSA-N 438.889 4.309 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc([N+](=O)[O-])c1 15995732 PZVYYKPFHLOTFN-UHFFFAOYSA-N 449.467 4.009 5 20 IIBD Cn1ccnc1[C@@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 16262340 KDTIIZVWVLAEJY-INIZCTEOSA-N 449.692 4.264 5 20 IIBD CCn1c(SCC(=O)N(C)Cc2ccc(OC)cc2)nc2cc3ccccc3cc2c1=O 22178478 GKRPVJXLTNFXMS-UHFFFAOYSA-N 447.560 4.329 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 26117354 QZKNNAFMUSNDGS-JTQLQIEISA-N 441.318 4.014 5 20 IIBD Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1S(=O)(=O)Nc1ccccc1Cl 28493494 OGZUPYUDWZULHD-UHFFFAOYSA-N 435.845 4.203 5 20 IIBD COc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)cc1OC 29143889 TWJLAAGJPHWRKF-UHFFFAOYSA-N 444.425 4.204 5 20 IIBD CCN(CC)CCOc1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 31941111 JKZDULDIYGEXOG-UHFFFAOYSA-N 440.544 4.171 5 20 IIBD COc1cc(-c2noc(COc3ccc([N+](=O)[O-])cc3Cl)n2)ccc1OC(F)F 57603066 DNTGZERAUWAKHG-UHFFFAOYSA-N 427.747 4.487 5 20 IIBD C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(N2CCCC2=O)c1 64943405 JDWHQAJEPITBIM-AWEZNQCLSA-N 436.493 4.336 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 78770498 DBBFLJZTEIGTNF-GFCCVEGCSA-N 432.889 4.138 5 20 IIBD CC(=O)Nc1ccc(Br)cc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 110214447 BCGAQEKKSUHJFX-UHFFFAOYSA-N 433.262 4.142 5 20 IIBD CC(C)n1ncc2ccc(NC(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)cc21 195743944 LZEXVSJNVMTXCP-UHFFFAOYSA-N 437.485 4.057 5 20 IIBD CCCn1c(SC[C@H](O)COc2cccc([N+](=O)[O-])c2)nnc1-c1cccc(C)c1 302745664 PVLUGNCXXWKWTA-GOSISDBHSA-N 428.514 4.104 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC(OCCc2ccccc2)CC1 302961493 GESSKRUDMIBFAN-UHFFFAOYSA-N 437.540 4.062 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@H]3C3CCC3)cc2)cc1[N+](=O)[O-] 303183242 LCGOKMUGTABYGJ-FQEVSTJZSA-N 443.525 4.109 5 20 IIBD COc1cc(NC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])ccc1Cl 433610228 OPBFPWZSUWHMBR-MRXNPFEDSA-N 435.864 4.461 5 20 IIBD C[C@H](COc1ccc(F)cc1F)NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436141514 ASOIPSLGRFCTPY-LLVKDONJSA-N 444.384 4.435 5 20 IIBD COc1cc(C(=O)N2CCS[C@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1OCc1cscn1 438046059 WICRBNNQJUQCKW-BEFAXECRSA-N 449.554 4.139 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1cnccc1-c1cccc(F)c1 439662310 BBFARFJHFFQKMF-UHFFFAOYSA-N 436.399 4.123 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1 440025269 VTTUVDTUBKZHRH-UHFFFAOYSA-N 439.390 4.411 5 20 IIBD CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c1 441809261 QGKNEEMYNPUOHJ-UHFFFAOYSA-N 433.530 4.357 5 20 IIBD COc1cc(NC2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)cc(OC)c1 443537391 ATXJXLOYTJMZLH-UHFFFAOYSA-N 434.880 4.374 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCO[C@H](c2cccs2)C1 444230571 ZWOVWZHACWFLQJ-KRWDZBQOSA-N 426.444 4.235 5 20 IIBD CC(C)(c1noc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)n1)c1ccc(Cl)cc1F 445588766 VOPYFHHFWZLEPX-UHFFFAOYSA-N 447.854 4.096 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1cccc(CN2CCCCC2=O)c1 446126242 LNCBKQWBVYOTJC-UHFFFAOYSA-N 446.301 4.051 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(N3CCc4ccc(Cl)cc4C3)n2C[C@H]2CCCO2)cc1 461123588 AJOFLSWMYMRAED-HXUWFJFHSA-N 439.903 4.248 5 20 IIBD Cc1cc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)c(C(F)(F)F)cc1[N+](=O)[O-] 461952412 AEJCMOCFPQFIDK-IFXJQAMLSA-N 425.455 4.175 5 20 IIBD CC(C)c1noc(-c2ccccc2C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 464643894 PWQMRPHKNFABJB-UHFFFAOYSA-N 436.468 4.452 5 20 IIBD CCC(CC)(CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccccc1 464690496 WCSAOMZLOBXLKC-JOCHJYFZSA-N 437.540 4.382 5 20 IIBD CCN(CC)CCOC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 465263159 UZJWMCXHYQXGQC-UHFFFAOYSA-N 441.528 4.350 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cc(C(F)(F)F)ccc1NCc1ccccc1 466431298 NATIRUBBUFKNKH-UHFFFAOYSA-N 433.390 4.369 5 20 IIBD O=C(CNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])Nc1cccnc1 466861108 LCHXTBRFTJUVHN-UHFFFAOYSA-N 442.884 4.163 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)c3cc4ccccc4s3)CC2)c1 469353939 PUXCVQNMJQYOLZ-UHFFFAOYSA-N 441.534 4.130 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(OCc2cccc(C)c2)c1 469986980 IPGGTMNGCFFTMM-HXUWFJFHSA-N 437.500 4.353 5 20 IIBD CC(C)(C)OC(=O)CCc1cccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1 470664531 YUYNGTIQCRXWQE-UHFFFAOYSA-N 436.468 4.307 5 20 IIBD O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)s1 470888942 NVPKCLGADKHNDG-UHFFFAOYSA-N 438.465 4.204 5 20 IIBD CCOc1cc(N2CCN(C(=O)N[C@H](c3cccs3)C3CC3)CC2)ccc1[N+](=O)[O-] 474023594 RLCMVQNKSYCVGM-FQEVSTJZSA-N 430.530 4.038 5 20 IIBD CCNc1ccc(C(=O)N(Cc2ccc(OC)cc2OC)c2nccs2)cc1[N+](=O)[O-] 474742337 ZVERPSYJBOWASU-UHFFFAOYSA-N 442.497 4.347 5 20 IIBD O=C1CCc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)c(F)cc2N1 477071951 CXPHVVTVMFZPIH-UHFFFAOYSA-N 434.427 4.483 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3ccc(Oc4ccccc4)nc3)CC2)ccc1[N+](=O)[O-] 477356671 XTGGLYMBPKKWOG-UHFFFAOYSA-N 448.479 4.143 5 20 IIBD COc1ccc(CNC(=O)N(C)Cc2ccc(Br)cc2Cl)cc1[N+](=O)[O-] 478814193 NOZGNTQTWSIWGJ-UHFFFAOYSA-N 442.697 4.361 5 20 IIBD CC[C@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1nc(C(F)(F)F)cs1 482189223 ZKRXZMJNUSGKNG-JTQLQIEISA-N 425.392 4.137 5 20 IIBD COc1cc(C(=O)NC2(Cc3ccccc3)CC2)c([N+](=O)[O-])cc1OCc1cscn1 484398687 AFLFXTSAASMRLR-UHFFFAOYSA-N 439.493 4.144 5 20 IIBD O=C(CSc1ccc(Br)cc1[N+](=O)[O-])Nc1ccnn1C1CCCC1 485265260 TUCURAIFNQGMRW-UHFFFAOYSA-N 425.308 4.400 5 20 IIBD COC(=O)c1ccc(-c2csc(NC(=O)c3cccc(SC)c3[N+](=O)[O-])n2)cc1 485737156 WRPIYXGOWCPPGX-UHFFFAOYSA-N 429.479 4.479 5 20 IIBD COc1cc(Cl)c(Cl)cc1NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 485926657 OFWQBEPPXYLQBF-GFCCVEGCSA-N 444.296 4.215 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(Cl)ccc2Br)c(C)c([N+](=O)[O-])c1 485972067 FQAZQKIXOXTJOX-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD O=[N+]([O-])c1ccc(CN2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)c(Cl)c1 486436363 SYWVROWFLZXFDO-IIBYNOLFSA-N 425.876 4.247 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Oc2ccc(C)cc2)CC1 486774851 CMHAGAVLSMVPCH-UHFFFAOYSA-N 430.526 4.325 5 20 IIBD C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 486826753 QMHNUJJELRXBRQ-BUKPSGGLSA-N 447.495 4.026 5 20 IIBD COC(=O)c1cc(NC(=O)NC[C@H](c2ccccc2)C(F)(F)F)c(C)c([N+](=O)[O-])c1 486876603 DQIQXRJSDJIWLM-CQSZACIVSA-N 425.363 4.157 5 20 IIBD CCOC(=O)[C@@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)C1CC1 487271241 UWFYLBSESPUZLA-LJQANCHMSA-N 432.860 4.166 5 20 IIBD COc1ccc(Cl)cc1N1CC[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 487831922 FVHXNTOGBGEYME-KRWDZBQOSA-N 444.919 4.210 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(OC)cc2OC2CCCC2)c(C)c([N+](=O)[O-])c1 489765164 WTIWUCBPAOYIOS-UHFFFAOYSA-N 428.441 4.272 5 20 IIBD C[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1cc2c(cc1Br)OCCO2 489803308 HQNVQCWNSWILDI-SNVBAGLBSA-N 446.257 4.101 5 20 IIBD O=C(NCCc1nnc(-c2ccccc2)o1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 490123194 VWLTXJTUYZHKLG-UHFFFAOYSA-N 443.463 4.229 5 20 IIBD O=C(Nc1cccc(-c2noc(C(F)(F)F)n2)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 490248005 KWSOGURMBCSKLG-UHFFFAOYSA-N 433.346 4.490 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N1CC[C@H](Sc2cccc(Cl)c2)C1 490389592 KBEBXRDWAKTAII-HNNXBMFYSA-N 431.905 4.201 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)O[C@H](C)C1 490418174 NMAUYVNZEJFESC-CXAGYDPISA-N 444.431 4.073 5 20 IIBD O=C(Nc1cccc(-c2noc(C(F)(F)F)n2)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 490533569 FRZBZKMHDHVNJA-UHFFFAOYSA-N 433.346 4.254 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)cc1[N+](=O)[O-] 493959758 GOKDOMQEPXEJBG-CQSZACIVSA-N 438.415 4.046 5 20 IIBD C[C@@H](NC(=O)N(C)CCc1ccccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccncc2)cc1 497398018 XKOAFRGQKMMEPF-QGZVFWFLSA-N 447.495 4.187 5 20 IIBD O=C(CN1CCC(OC2CCCCC2)CC1)Nc1ccc([N+](=O)[O-])cc1Br 497404959 DNJNUAAZPCFCCX-UHFFFAOYSA-N 440.338 4.110 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@H](C)c3ccc4c(c3)CCC(=O)N4)cc2[N+](=O)[O-])CC1 500069439 QKZCUZWPQUOGQJ-MRXNPFEDSA-N 436.512 4.207 5 20 IIBD CC(C)c1ccc(C[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 500202570 PQEIBDCKCZXPKN-YJBOKZPZSA-N 429.542 4.132 5 20 IIBD CCCc1ccc([C@@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)c2cccs2)cc1 503233204 PABTVCIUGSALNN-JOCHJYFZSA-N 437.521 4.244 5 20 IIBD CC[C@@H](CSc1ccc(C)c(C)c1)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 504656335 XODISBKEGLRONL-WMZOPIPTSA-N 445.541 4.096 5 20 IIBD O=C(CC[S@@](=O)Cc1cc(Br)ccc1Cl)Nc1ccccc1[N+](=O)[O-] 507677727 LWTQADRMDHAEHN-RUZDIDTESA-N 445.722 4.288 5 20 IIBD Cc1sc(NC(=O)CCCNC(=O)[C@H]2CC=CCC2)nc1-c1cccc([N+](=O)[O-])c1 507789521 AGPZDGNPZGPWHC-HNNXBMFYSA-N 428.514 4.218 5 20 IIBD CCOc1ccc(C2=CCN(c3ccc(C(=O)c4nccn4C)cc3[N+](=O)[O-])CC2)cc1 508362088 XJJNWKOEYSVIRJ-UHFFFAOYSA-N 432.480 4.252 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccccc2Cn2cncn2)cc1[N+](=O)[O-])c1ccccn1 509135984 GZOPPNZZQBSABN-INIZCTEOSA-N 443.467 4.055 5 20 IIBD CO[C@@H](C)c1nc(=NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)s[nH]1 511062145 FHBPJNGKDZAJAE-JTQLQIEISA-N 434.861 4.274 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCCCSc2ccccn2)cc1[N+](=O)[O-])c1ccccn1 511251246 LXJDPUFJZHTLRG-INIZCTEOSA-N 437.525 4.470 5 20 IIBD CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc([N+](=O)[O-])c(OC)c1 511364002 OFIMYEUFOYJCTQ-UHFFFAOYSA-N 440.283 4.401 5 20 IIBD CN(CCOc1ccc(OCc2ccccc2)cc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1N 511932828 VLVIQACMOIBBKU-UHFFFAOYSA-N 439.443 4.046 5 20 IIBD COCCOc1cccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c1 515634923 VKWSKRJROYWJEV-IRXDYDNUSA-N 427.501 4.355 5 20 IIBD COc1cc(CCNC(=O)N[C@@H](c2ccc(F)cc2)C(C)(C)C)c([N+](=O)[O-])cc1OC 515872541 GRARZAXHDVEVLA-FQEVSTJZSA-N 433.480 4.380 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1)c1cccc([N+](=O)[O-])c1 517840149 QUDHSNSDRHHJJG-CYBMUJFWSA-N 440.843 4.251 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NC[C@H](C)Cn3ccnc3C)cc2[N+](=O)[O-])n1 518788727 FIEYYXCDPUHQKP-LBPRGKRZSA-N 431.543 4.082 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(CC(=O)N1CCCCC1)c1ccccc1 518882980 OCLQRVFKNQSAAJ-MRXNPFEDSA-N 445.903 4.061 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C)cc1NS(=O)(=O)c1ccccc1 521474732 YEMHDJALFXCHHX-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N(CC1CC1)CC1CC1 522328866 FCEDPAUPKMJYEZ-UHFFFAOYSA-N 425.451 4.479 5 20 IIBD COc1ccc(COCc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)cc1 522364151 MRWUERLFMDNRDI-UHFFFAOYSA-N 442.493 4.429 5 20 IIBD Cn1c(C(=O)N(Cc2ccccn2)Cc2ccc(Br)cc2F)ccc1[N+](=O)[O-] 523693734 XUDJUJRJKNQZJK-UHFFFAOYSA-N 447.264 4.073 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1OC(C)(C)C2 530448115 MHWWOBWGIULHQX-UHFFFAOYSA-N 430.482 4.216 5 20 IIBD CCNC(=O)COc1cccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c1 530730065 QPFAJDXABSPCSE-UHFFFAOYSA-N 425.510 4.128 5 20 IIBD O=C(Nc1ccccc1)NC1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 533348726 ZYDKGFFYWKUVKP-UHFFFAOYSA-N 435.484 4.078 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(c3ccccc3F)CC2)c(Br)c1 533465657 NVBXASOBNZLQTH-UHFFFAOYSA-N 443.294 4.065 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 537691038 PXQHIBUMHCDWCH-UHFFFAOYSA-N 430.289 4.143 5 20 IIBD CC(C)CN(C(=O)c1cnc2ccccn2c1=O)c1nc(-c2ccccc2[N+](=O)[O-])cs1 539352997 VDDZTGLGNZOYKH-UHFFFAOYSA-N 449.492 4.029 5 20 IIBD CN(C(=O)CCCOc1ccc2c(c1)OCO2)c1nc(-c2ccccc2[N+](=O)[O-])cs1 540449845 HDXUHNWNMKJNIG-UHFFFAOYSA-N 441.465 4.269 5 20 IIBD CCOC(=O)c1cnn(-c2cccc(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)c2)c1C 542535435 PGVJTIRVLGZQKY-CYBMUJFWSA-N 440.431 4.147 5 20 IIBD COc1ccc(NC(=O)N[C@@H](c2ccccc2)c2nc3ccccc3n2C)cc1[N+](=O)[O-] 542960249 VDONMEWPWXRVFG-NRFANRHFSA-N 431.452 4.401 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cc(Br)ccc1N1CCCC1 543333139 IJOPYAPVXWEQRV-UHFFFAOYSA-N 449.305 4.288 5 20 IIBD CC[C@@H](C)Oc1ccc(-c2noc(CSc3ccc(C(N)=O)cc3[N+](=O)[O-])n2)cc1 545026419 KVLLVHPVZLQETJ-GFCCVEGCSA-N 428.470 4.213 5 20 IIBD Cc1sc(S(=O)(=O)N(C)[C@@H](c2ccncc2)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 545226731 GJSWSYIJBMBYBU-GOSISDBHSA-N 437.930 4.423 5 20 IIBD CN(C)CCOc1cccc(-c2noc(-c3ccc([N+](=O)[O-])cc3Br)n2)c1 545674092 MZYFLJLZBFYOPZ-UHFFFAOYSA-N 433.262 4.015 5 20 IIBD CC(=O)N1CCN(c2ccc(-c3nc(-c4ccc(C(C)C)cc4)no3)cc2[N+](=O)[O-])CC1 546226265 LYVHKOXUGZZAJU-UHFFFAOYSA-N 435.484 4.104 5 20 IIBD O=C(NCc1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1)c1ccc(Cl)c(Cl)c1 547195233 XNRHYCADEFMGON-UHFFFAOYSA-N 446.250 4.287 5 20 IIBD COc1cc(OC)cc(C2(F)CCN(C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1 548989904 SANJLMYJJSZNFO-HNNXBMFYSA-N 431.464 4.343 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c1 549212519 RPWZGANKEWECPX-UHFFFAOYSA-N 438.465 4.254 5 20 IIBD C[C@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1OCCc2sccc21 552613618 PUZNLGKGEUDGDK-VOJFVSQTSA-N 443.447 4.296 5 20 IIBD O=C(Nc1ccc2c(Cl)cccc2n1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 552796473 BZNFNBMWBFINGD-CQSZACIVSA-N 430.873 4.101 5 20 IIBD CCOC(=O)CN(C(=O)c1cc([N+](=O)[O-])cc(Br)c1C)c1ccc(F)cc1 555811828 MZSHEHZHQOQKLX-UHFFFAOYSA-N 439.237 4.015 5 20 IIBD Cc1c(CNC(=O)C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(C)C)cccc1[N+](=O)[O-] 569252368 HMCAWDVMBWYMDD-SFHVURJKSA-N 437.418 4.052 5 20 IIBD CC1(C)CCC[C@H](c2noc([C@H]3CCCN3S(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)C1 570760165 AKJIFDBLWUJPKX-WMLDXEAASA-N 434.518 4.187 5 20 IIBD C[C@@H](Nc1ccccc1NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1ccccc1 573148223 BCOHAHJUUUMGDA-OAHLLOKOSA-N 439.493 4.424 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCOC[C@H]3[C@H]3CCCO3)cc2[N+](=O)[O-])cc1 574540998 IWIMLTPOSAUUQO-VQTJNVASSA-N 428.510 4.074 5 20 IIBD CCOc1ccc([C@@H](C)NCCCS(=O)(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 575077686 LQBWFJNWXVSUCZ-CQSZACIVSA-N 426.922 4.162 5 20 IIBD O=C(c1csc(-c2ccc(Cl)cc2)c1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 577331355 LVKUHZFTNXTFDR-UHFFFAOYSA-N 428.901 4.334 5 20 IIBD C[C@@H](C(=O)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1)c1cccc([N+](=O)[O-])c1 579459871 JTAXYPOAKYLPGW-QGZVFWFLSA-N 429.476 4.469 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCC(=O)Nc1cc(C)c(Cl)cc1OC 581578181 OKDMRWPHCDKKBL-UHFFFAOYSA-N 434.880 4.278 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 589063223 JCYOWROXRKXMAR-IAOVAPTHSA-N 432.502 4.064 5 20 IIBD COc1cc([N+](=O)[O-])ccc1-c1nc(Cc2c[nH]c3cc(Br)ccc23)no1 589138483 NMICAIUYZOGGCG-UHFFFAOYSA-N 429.230 4.488 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 590551406 VMPXLRLGXORUHC-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD O=C(Nc1ccc(N2CCc3sccc3C2)nc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 603458371 GECWUBTWWKOSLB-UHFFFAOYSA-N 449.536 4.467 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@H](CC(=O)O)c3cccs3)cc2[N+](=O)[O-])C1 603570668 WEEGAGYFNHRMDR-IIAWOOMASA-N 431.514 4.084 5 20 IIBD Cc1cc(CN(C)C(=O)NCc2ccc([N+](=O)[O-])cc2)cc(C)c1OCC(F)(F)F 604077303 KICYLPCPNGMFGD-UHFFFAOYSA-N 425.407 4.494 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccc(OC4CCCC4)nc3)cc2)c(C)c1[N+](=O)[O-] 608873734 GFXJYOVAFWCEOZ-UHFFFAOYSA-N 435.484 4.425 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)NCc3ccc(OCCO)cc3)cc2[N+](=O)[O-])cc1 609043996 AEOZOJFQYWOYFL-UHFFFAOYSA-N 438.505 4.356 5 20 IIBD Cc1cc(C)cc(-c2nnc(NC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)s2)c1 609648119 AJKTUONJNFKVKF-UHFFFAOYSA-N 434.481 4.383 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(OCc2cccc(F)c2)c1 609847446 KQJDWASAELBPBE-IBGZPJMESA-N 441.463 4.184 5 20 IIBD COc1ccccc1[C@H](NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C)c1ccccc1Cl 610180971 MFVMKRNESKPJLL-OAQYLSRUSA-N 442.903 4.366 5 20 IIBD O=C(c1ccc(-c2cc(F)c(F)c(F)c2)cc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 610223668 NHXZOSBVVUWLGN-UHFFFAOYSA-N 442.397 4.037 5 20 IIBD CS(=O)(=O)CCc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cc1 611207450 IEYPWOVOUCLEEQ-UHFFFAOYSA-N 448.566 4.469 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccccc1)C[C@@H](O)C(F)(F)F 611579345 VFXGLMCCXKJPGR-CXAGYDPISA-N 428.432 4.027 5 20 IIBD CCN1CCN(C(=O)c2ccc(NC(=O)c3cc4ccccc4c4cccnc34)cc2)CC1 620860815 UMYAERMNNOIVCC-UHFFFAOYSA-N 438.531 4.418 5 20 IIBD COc1ccc(NC(=O)COC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 727928773 KOJRWUFVALLVHQ-STQMWFEESA-N 439.251 4.196 5 20 IIBD CCc1ccccc1NC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1cc([N+](=O)[O-])c(F)cc1F 731432258 STAVNZUMVILKGF-IBGZPJMESA-N 446.479 4.209 5 20 IIBD CSCc1cccc(NC(=O)c2ccc(I)c([N+](=O)[O-])c2)c1 731589077 SJIQYECYUWEOPN-UHFFFAOYSA-N 428.251 4.315 5 20 IIBD O=Cc1ccc(OCC(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)c([N+](=O)[O-])c1 731612736 MHYIYWMNLZAECS-HXUWFJFHSA-N 447.285 4.206 5 20 IIBD CCN(C(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cccc2ccccc12 731709235 DMMDOOSFZNEJIH-CQSZACIVSA-N 437.408 4.255 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC([C@@H](O)c2ccc(F)cc2)CC1 736210513 XUHJQZQMTQGMPO-NRFANRHFSA-N 436.867 4.128 5 20 IIBD CCCCC[C@H](NC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccccc1 737183727 VNHUUOYPHARLBT-KRWDZBQOSA-N 441.484 4.132 5 20 IIBD Cc1cc(=O)oc2cc(OCCOC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)ccc12 740949587 MMRRNINRAWEWDA-UHFFFAOYSA-N 425.418 4.460 5 20 IIBD Cc1ccncc1C(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 742703781 QLBHLBURTZUIND-IBGZPJMESA-N 425.828 4.488 5 20 IIBD CCN(CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)[C@H](Cc1ccc(F)cc1)C(C)C 743397857 BLHPFJWRPABJEH-OAQYLSRUSA-N 442.491 4.049 5 20 IIBD C[C@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1nc2ccccc2s1 745074980 YGQQCSYTBUPPAR-AWEZNQCLSA-N 441.509 4.072 5 20 IIBD CCOc1cc(CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)ccc1OC(F)F 748625207 XAZIBZUWXKOANP-UHFFFAOYSA-N 439.371 4.050 5 20 IIBD CN(c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)C1CCC(NC(=O)OC(C)(C)C)CC1 749279659 HFIWOUJDTBKUNB-UHFFFAOYSA-N 446.548 4.103 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)cc1[N+](=O)[O-] 749522024 ZPJYRZACOMRVTM-UHFFFAOYSA-N 426.360 4.068 5 20 IIBD Cc1nn(CN2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)c2ncc([N+](=O)[O-])cc12 749949963 HDDBIABTSFVVEQ-KRWDZBQOSA-N 440.262 4.125 5 20 IIBD C[C@@H](OC(=O)Cc1csc(-c2ccc(F)c(F)c2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 750160527 HXUPVGJMMKOBBA-LLVKDONJSA-N 447.419 4.109 5 20 IIBD CC(C)(C)OC(=O)N(CC1CC1)C1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 751051826 XJYPFVVRNUDZDK-UHFFFAOYSA-N 437.924 4.500 5 20 IIBD CN1CCC(N(C)c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Br)cc2)CC1 751100451 PPWOSBXVAVAZCJ-UHFFFAOYSA-N 447.333 4.140 5 20 IIBD O=C(OCc1nc(C(F)(F)F)cs1)c1cc([N+](=O)[O-])c(Br)cc1F 751738965 JHWRKUTUHAFHMY-UHFFFAOYSA-N 429.145 4.329 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCCCC[C@@H]1C[C@H](O)c1ccco1 752101584 NRYAUOKZBZLUJN-DYVFJYSZSA-N 437.290 4.459 5 20 IIBD O=C(CCN(CCc1ccccn1)Cc1ccc(F)cc1)Nc1cc([N+](=O)[O-])ccc1F 753919954 QBUPTCKULKPGEM-UHFFFAOYSA-N 440.450 4.342 5 20 IIBD O=C(Cc1c[nH]c2cccc(Br)c12)O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 754545935 QCMBLSZEXZJNHS-HOTGVXAUSA-N 447.289 4.305 5 20 IIBD CCOC(=O)Nc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1 754637004 VBRUYPFEMXCLQT-UHFFFAOYSA-N 426.198 4.317 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1sc(C)nc1C(F)(F)F 759603024 PZDDJDRWMBFICT-UHFFFAOYSA-N 436.433 4.474 5 20 IIBD C[C@@H](OC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC(F)(F)F)cc1 763400744 ANBBZWHAHHCNSK-VXGBXAGGSA-N 426.347 4.167 5 20 IIBD O=C(NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cc(F)c([N+](=O)[O-])cc1F 763425859 HXCIKFTYNPMQLX-UHFFFAOYSA-N 426.301 4.008 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)C1 765834718 BDDOOBZLVGURFV-KXBFYZLASA-N 435.546 4.206 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)Nc1ccc(C(F)(F)F)cc1 766230287 HMXBUVWFZWSFKO-LLVKDONJSA-N 433.342 4.346 5 20 IIBD CCCN(CC(=O)Nc1ccccc1OC)Cc1c(Br)cccc1[N+](=O)[O-] 768168153 AJADGKQSPDGYDW-UHFFFAOYSA-N 436.306 4.217 5 20 IIBD CC(=O)[C@@H](Cc1ccc(F)c(F)c1F)OC(=O)c1ccc(Br)c([N+](=O)[O-])c1 768355989 HIFVVZVOFDGUNQ-CQSZACIVSA-N 446.175 4.132 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NCc1ncccn1 770048086 UEVOEGCYPYTQEV-FOWTUZBSSA-N 431.477 4.242 5 20 IIBD CCCOC(=O)[C@@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 772812216 NEQBOGXIABLTPQ-VWLOTQADSA-N 429.472 4.392 5 20 IIBD O=C(O[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cc([N+](=O)[O-])ccc1F 776375274 DIBADSDKVIFTDV-KRWDZBQOSA-N 440.349 4.101 5 20 IIBD CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc1 777941698 DPQVXFPACWXLAR-CQSZACIVSA-N 434.443 4.438 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 780635896 ISQVPMPNHXFWSS-UHFFFAOYSA-N 429.410 4.171 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1 780637097 RCKZVMDFLHALLO-UHFFFAOYSA-N 431.832 4.161 5 20 IIBD CC[C@H](OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)c1ccc(NC(C)=O)cc1 781259227 AXDVRQQEDZVALZ-QHCPKHFHSA-N 442.471 4.458 5 20 IIBD O=C(Nc1ccc(OC(=O)[C@@H]2CCCN2c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 781862899 QDFUIYCGNZRPGU-QFIPXVFZSA-N 431.448 4.422 5 20 IIBD Cc1ccc([C@@H](C)N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2Br)cc1 784665578 FGVCYUWJPPUXSI-CYBMUJFWSA-N 434.290 4.132 5 20 IIBD CC[C@H](Oc1ccccc1F)C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791174246 KEHBIQNQAUYXNS-KRWDZBQOSA-N 437.265 4.239 5 20 IIBD Cc1csc(Oc2ccc(NC(=O)[C@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)cc2F)n1 791291759 VJYFMSLBNNVFFR-GOSISDBHSA-N 442.428 4.423 5 20 IIBD Cc1ccc(F)cc1-c1nnc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)s1 791878640 TVJPHRJJJGVCKR-UHFFFAOYSA-N 431.405 4.338 5 20 IIBD O=[N+]([O-])c1ccc(CNC2(c3cccc(C(F)(F)F)c3)CCOCC2)c([N+](=O)[O-])c1 792881689 NPVNGGXEMHLXHQ-UHFFFAOYSA-N 425.363 4.317 5 20 IIBD CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] 795342678 ANGOHVZWAPOQJQ-UHFFFAOYSA-N 441.637 4.114 5 20 IIBD Cc1ccc(-c2cccnc2)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 797292517 PGTMQTRQTVKHLO-KRWDZBQOSA-N 434.427 4.096 5 20 IIBD O=C(c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O)N(Cc1ccc(F)cc1)C1CC1 798155584 CKDBGSCRHCEWAK-UHFFFAOYSA-N 430.823 4.083 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])ccc1I)c1cccc2cccnc12 798509947 GMNIJZJVVZNQPE-UHFFFAOYSA-N 433.205 4.024 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 799616292 GTVMRFINVFEEKM-HNNXBMFYSA-N 443.525 4.485 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1ccc(F)cc1OCCC(F)(F)F 799931917 HVFYGEIVPJNVHR-UHFFFAOYSA-N 426.319 4.005 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F 800605046 WVGMKGIGKFRMSA-MRXNPFEDSA-N 439.365 4.363 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)Nc1cccc(COC2CCCCC2)c1 800628810 AHNNAQYOGHYVRS-UHFFFAOYSA-N 429.448 4.469 5 20 IIBD CC(C)(C)OC(=O)N1CCC(c2cnc(NC(=O)c3cc([N+](=O)[O-])ccc3N)s2)CC1 804816438 GWGAECDFKBDPJR-UHFFFAOYSA-N 447.517 4.000 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1)c1nncn1C 805364431 LWDOWAHKXFKJLN-KRWDZBQOSA-N 449.511 4.100 5 20 IIBD Cc1ccc(-n2ncc3c(=O)n(Cc4cc(Cl)cc(Cl)c4[N+](=O)[O-])cnc32)cc1 809959186 BHGAHRBCZBCFBO-UHFFFAOYSA-N 430.251 4.154 5 20 IIBD C[C@](O)(C(=O)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)C1CCC1 812679620 MIDZVAVVFNHIBM-WIYYLYMNSA-N 432.860 4.022 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 813882896 OEUSMYGGWJUPQS-HDJSIYSDSA-N 425.913 4.309 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)C1 814429250 UNUUMYBNJBLPGW-CVEARBPZSA-N 435.496 4.233 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@H](C)c1ccc(Cl)cc1 857760836 QNSXQZKKDQBLIC-ACJLOTCBSA-N 436.917 4.404 5 20 IIBD O=[N+]([O-])c1cccc(-c2nccc(/C=C\c3ccc(OCc4ccncc4)cc3)[n+]2[O-])c1 915987658 IBPZPVIVGUHSPV-DAXSKMNVSA-N 426.432 4.435 5 20 IIBD Cc1ccc(CNC(=O)c2cccc(CNC(=S)Nc3ccc([N+](=O)[O-])cc3)c2)cc1 916012678 SJMJMDZFWMQWFQ-UHFFFAOYSA-N 434.521 4.320 5 20 IIBD CCCCc1ccc2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])sc2c1 916109912 MQINVKZAPKSLCK-UHFFFAOYSA-N 436.471 4.256 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)[C@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1 918539198 WVIBUKKFIDPRJK-SFHVURJKSA-N 440.496 4.206 5 20 IIBD CCN(C(=O)COC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccccc1 920546483 KFHUZHQUCBTUEK-QGZVFWFLSA-N 448.479 4.373 5 20 IIBD CC(C)c1cccc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1N 920557831 HHFREUCRMITPSJ-UHFFFAOYSA-N 425.363 4.115 5 20 IIBD C[C@@H](OC(=O)c1cccnc1SC(F)(F)F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 920699476 HWEATIWKFTWKBC-MRVPVSSYSA-N 449.794 4.439 5 20 IIBD O=C(NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1)N1CCc2ccc([N+](=O)[O-])cc2C1 1117733202 GCIDRKNACMQNPC-NOTZXAQLSA-N 434.540 4.248 5 20 IIBD O=C(c1nn(-c2ccccc2F)cc1Br)N1CCCc2ccc([N+](=O)[O-])cc21 1321954504 NBYPKJICIQQESB-UHFFFAOYSA-N 445.248 4.275 5 20 IIBD C[C@H](C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 1322188080 FCSBTQZIQDMYKM-VIFPVBQESA-N 432.301 4.177 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1322374452 NAJDCYMSZNJZIF-GFCCVEGCSA-N 429.274 4.253 5 20 IIBD Cc1cccn2cc(COc3ccccc3C(=O)N3Cc4ccc([N+](=O)[O-])cc4C3)nc12 1323220891 CAEXQZQFWDUJMA-UHFFFAOYSA-N 428.448 4.286 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3nccc4occc34)CCC2)cc1)c1ccc([N+](=O)[O-])o1 1785747693 GIIGTHQAUCHEAD-UHFFFAOYSA-N 446.419 4.391 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3n[nH]cc3[N+](=O)[O-])CCC2)cc1)c1ccc2ccoc2c1 1790891385 ISBAFGWQSIMMQW-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)NC1(c2ccc(NC(=O)[C@@H]3C[C@@]3(F)Cl)cc2)CCC1 1791669613 JACAQTTUWMHZQN-KVWPREENSA-N 447.850 4.260 5 20 IIBD CCC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C)c([N+](=O)[O-])cn3)CC2)CCC1 1827827953 DMCHAIYOBBSXFP-FQEVSTJZSA-N 442.560 4.112 5 20 IIBD Cc1c(C(=O)N2CC3(CCCN3C(=O)/C=C/C3CCCC3)C2)cc(Cl)cc1[N+](=O)[O-] 1845192714 MDEXSBPQNDSVJK-BQYQJAHWSA-N 431.920 4.120 5 20 IIBD Cc1ccc(C)c(C(=O)N2CCCC23CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)C3)c1 1846789703 JXACOHSOAJQZMR-UHFFFAOYSA-N 441.915 4.304 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc3c(OC(F)F)cccc3[nH]2)cccc1[N+](=O)[O-] 28960168 PFEZXYRDISZYOE-LLVKDONJSA-N 433.367 4.170 5 20 IIBD COc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Br 30510740 CHRUFRLVQNYISN-STQMWFEESA-N 436.306 4.352 5 20 IIBD COc1cc(CN(C)C(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)ccc1SC 58778307 WEOQVSWMSKFWDR-UHFFFAOYSA-N 436.555 4.226 5 20 IIBD COc1cc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)ccc1OC(F)F 64897558 YUDSCYPMMWHFKA-UHFFFAOYSA-N 435.408 4.258 5 20 IIBD COc1cc(OC)c2cc(CCCNCc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)[nH]c2c1 237452964 GAJVLEAJRMLTSC-UHFFFAOYSA-N 449.511 4.216 5 20 IIBD Cc1c(NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cccc1C(=O)NCCO 237828514 CTPGVOHZIVZMAB-UHFFFAOYSA-N 439.443 4.169 5 20 IIBD C[C@H]1C[C@H](C)CN(Cc2ccccc2CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 301069654 DCJPTYGFQCFOLT-IRXDYDNUSA-N 431.558 4.088 5 20 IIBD CS(=O)(=O)c1cccc([C@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2)c1 301477788 UGZOCDLJEOGPIL-HXUWFJFHSA-N 427.438 4.108 5 20 IIBD Cc1cc(N2CCCN(C(=O)Oc3ccccc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 301820960 JSNQSZKXVFRIKP-UHFFFAOYSA-N 433.468 4.071 5 20 IIBD COc1ccc(Br)c(CN(C)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 428216572 DBKJSGQZVHWREZ-UHFFFAOYSA-N 448.317 4.238 5 20 IIBD CC(=O)N(c1ccc(C)c(C)c1)c1nc(Cn2cc(Cl)cc([N+](=O)[O-])c2=O)cs1 432239034 XLTLYDXVHJVFOR-UHFFFAOYSA-N 432.889 4.216 5 20 IIBD CCCc1c(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cnn1-c1ccc(C)cc1 432575735 SZJZHOWNHYFAOM-UHFFFAOYSA-N 430.468 4.479 5 20 IIBD CCOc1cc(CS(=O)(=O)Cc2csc(Cc3ccccc3)n2)ccc1[N+](=O)[O-] 434634904 DBTVRJIJMFMTLC-UHFFFAOYSA-N 432.523 4.156 5 20 IIBD COc1cccc(C(=O)N[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)c1[N+](=O)[O-] 436039438 GHJZAEBRBVRPES-LJQANCHMSA-N 448.401 4.439 5 20 IIBD C[C@H](NC(=O)c1cc(Br)c(O)c(Br)c1)c1cccc([N+](=O)[O-])c1 436763149 FIJMCAVIPCCAEY-QMMMGPOBSA-N 444.079 4.316 5 20 IIBD CCN(CC1CCN(c2ccccn2)CC1)C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 437055443 NUOCFJMESLJKHJ-QGZVFWFLSA-N 428.558 4.236 5 20 IIBD COC(=O)c1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1C 439224906 MPEDWEYRPUJPFW-UHFFFAOYSA-N 440.477 4.085 5 20 IIBD O=C(CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1ccccc1-c1ccccc1 440483201 CNGCCZGWVQELFZ-LJQANCHMSA-N 431.496 4.172 5 20 IIBD CC(=O)c1ccc(OCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)c([N+](=O)[O-])c1 440869762 BKNTZKUMRTTXRL-MRXNPFEDSA-N 439.449 4.209 5 20 IIBD CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)n1 444112212 BILJRJQIBCXKIC-HNNXBMFYSA-N 434.496 4.070 5 20 IIBD C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 444212363 KPRDMLHUQRMQPD-MEDUHNTESA-N 431.297 4.052 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 444898756 PNBNHHIQVGJHQK-CYBMUJFWSA-N 449.305 4.014 5 20 IIBD C[C@H](NC(=O)Cc1noc(CCc2cccc([N+](=O)[O-])c2)n1)c1ccc(Cl)cc1Cl 445749710 MWHCPCWZRAEXMB-LBPRGKRZSA-N 449.294 4.490 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O 447184982 OUFIOBHBLRXCMS-UHFFFAOYSA-N 438.459 4.386 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(-c3noc(C(F)(F)F)n3)c2)cc1C 447274784 OLNFSKMUKNZHMD-UHFFFAOYSA-N 442.375 4.081 5 20 IIBD O=C(CC1(CC(=O)Nc2nccs2)CCCCC1)NCCc1ccccc1[N+](=O)[O-] 461265364 RDWOYBZOUMOHSW-UHFFFAOYSA-N 430.530 4.079 5 20 IIBD Cc1ccc(-c2nnc(N(C)CCc3ccccc3[N+](=O)[O-])n2C[C@H]2CCCCO2)o1 461822604 BZRUQHLYTQDMQU-GOSISDBHSA-N 425.489 4.003 5 20 IIBD C[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])c1ccc(Br)cc1OCCCO 461982416 JDJVEQZBRTYFKY-SNVBAGLBSA-N 430.686 4.340 5 20 IIBD COc1ccc(-c2noc(CCCC(=O)Nc3ccc([N+](=O)[O-])c4ncccc34)n2)cc1 463130221 FJMMDFZNOYIYSX-UHFFFAOYSA-N 433.424 4.163 5 20 IIBD O=C1CN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)c2ccncc2N1 466438539 NGEBJCCHCBFWKX-UHFFFAOYSA-N 440.868 4.393 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CN[C@@H](c3cccc(C(F)(F)F)c3)c3nc[nH]n3)co2)cc1 468490514 YRSOCMZZVMWMAS-KRWDZBQOSA-N 444.373 4.266 5 20 IIBD Cn1c([C@@H]2CCCN2C(=O)c2ccc(Br)cc2[N+](=O)[O-])nc2ccccc21 468913124 JBAZCCJLNXGHNW-INIZCTEOSA-N 429.274 4.221 5 20 IIBD COC(=O)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C[C@@H]1C 476763073 KOLAXHHGSVYWGC-YOEHRIQHSA-N 445.903 4.132 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2cc(F)ccc2C)nnc1-c1ccc([N+](=O)[O-])cc1 481347771 VPGZEPRRXDWATG-CYBMUJFWSA-N 429.477 4.440 5 20 IIBD Cc1ccccc1COc1cccc(NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)c1 482344927 SSAQVCJEVVLBBX-UHFFFAOYSA-N 433.420 4.029 5 20 IIBD C[C@H](c1ccccc1)N1CCC(NC(=O)c2sc(Br)cc2[N+](=O)[O-])CC1 485471497 VBDYASBJQSCSJR-GFCCVEGCSA-N 438.347 4.374 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1CSc2ccc(Br)cc21 487695562 NEUXMMONDBMHJZ-AWEZNQCLSA-N 425.329 4.413 5 20 IIBD CCNC(=O)Nc1ccc(C)c(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 487721633 OFNHEKKOZHIGGS-UHFFFAOYSA-N 425.470 4.420 5 20 IIBD Cc1cccc(N(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC(=O)N2CCCCC2)c1 489337916 XWTOVLXOYPCWEO-UHFFFAOYSA-N 444.919 4.014 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccc(OCc2ccccc2F)cc1)c1cccc([N+](=O)[O-])c1 495200462 JAVAWQDGAFZOGI-OAHLLOKOSA-N 437.427 4.129 5 20 IIBD CC(C)n1c([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)nc2ccccc21 497861553 YPHLMIMEMMDQBZ-AWEZNQCLSA-N 428.514 4.101 5 20 IIBD Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C2)cc1 498275809 JYAGLTAIEUDYJN-QGZVFWFLSA-N 447.495 4.125 5 20 IIBD C[C@H](c1ccccc1F)N1CCC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1=O 505379734 MWKUOLAETPYKEF-VLIAUNLRSA-N 445.466 4.019 5 20 IIBD COC(=O)Cc1ccc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 506085005 HOWGZNLJINWYGU-OAHLLOKOSA-N 434.452 4.131 5 20 IIBD Cc1cc(-c2nnc(N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)n2C)c2ccccc2n1 508575784 JGIQIEWWDXGXBA-UHFFFAOYSA-N 444.495 4.295 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1[N+](=O)[O-] 509802360 IVIMMOLHRJXXSX-CQSZACIVSA-N 446.301 4.157 5 20 IIBD O=C(N[C@@H](CC(=O)N1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1)c1ccccc1 509970881 KXUDNOYWBVJPQE-QFIPXVFZSA-N 429.476 4.435 5 20 IIBD CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 513390501 QHQZUPFTEZDTBD-RDJZCZTQSA-N 445.903 4.417 5 20 IIBD C[C@H]1CN(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C[C@H](C)O1 514343861 LIFSLUGGKAUAMK-IRXDYDNUSA-N 443.569 4.364 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)Nc3cccc(OCC(N)=O)c3)cc2[N+](=O)[O-])cc1 514980874 IXOFINKWDYLZEF-UHFFFAOYSA-N 437.477 4.171 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NCc1cccc(O)c1 515991820 PWUHWEQFHZBLGO-UHFFFAOYSA-N 428.448 4.012 5 20 IIBD COc1ccc(C(C)(C)CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1OC 518004469 LOKJZAARLOIASW-UHFFFAOYSA-N 439.415 4.313 5 20 IIBD C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1cccc(NC(=O)c2ccccc2)c1 520156501 MSNZPMXNLJOAOV-AWEZNQCLSA-N 443.456 4.026 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCC(Oc2ncccc2F)CC1 520497422 SJCIBDMGBCMNJL-UHFFFAOYSA-N 428.342 4.223 5 20 IIBD Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)s2)cc1 520971238 CKTBCKXMAYRFRP-AWEZNQCLSA-N 448.508 4.407 5 20 IIBD CCOC(=O)c1cc(C(=O)N2C[C@@H](c3ccccc3Cl)OC[C@@H]2C)cc([N+](=O)[O-])c1 521930351 KPFNOCQLNRFCIA-DJJJIMSYSA-N 432.860 4.027 5 20 IIBD CCCCN(Cc1ccccc1F)C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O 524205819 TXOBOPNQHDIWRN-UHFFFAOYSA-N 438.459 4.031 5 20 IIBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1cccc(CSC2CCCC2)c1 525382893 JJZLXPVYOKPCLA-UHFFFAOYSA-N 439.493 4.005 5 20 IIBD O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCCCC[C@@H]1c1ccc(C(F)(F)F)cc1 530431537 QDSBSGPVTZQDAC-OAHLLOKOSA-N 429.420 4.315 5 20 IIBD COCCCn1ccc(NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n1 532120258 XNVHIYFNRBNRSN-UHFFFAOYSA-N 432.484 4.293 5 20 IIBD COc1cc(CN(C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c(SC)cc1OC 533292759 VFEDDZJEAMLJHK-AWEZNQCLSA-N 433.530 4.101 5 20 IIBD O=C(c1c(F)cccc1Cl)N1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 534858460 ZBFRTWWVAVHXAJ-UHFFFAOYSA-N 444.850 4.000 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(C)sc2c1 534949365 YXPVHWZSJVCUFN-UHFFFAOYSA-N 431.495 4.420 5 20 IIBD CCOC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)nc1C(C)C 536073478 RNTVBXQTLUXCMM-UHFFFAOYSA-N 442.291 4.366 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2cc([N+](=O)[O-])ccc2OC(C)C)cc1 537039913 UNEYBKYPBLWJFM-KRWDZBQOSA-N 449.573 4.263 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN[C@H](COc1ccccc1)c1ccccc1 538218297 UCGSAIMEYPJJGS-OAQYLSRUSA-N 433.464 4.303 5 20 IIBD O=C(c1cc(Br)cc(Br)c1)N1CCc2cc([N+](=O)[O-])ccc21 539152755 BKEYTVWZBUWQOT-UHFFFAOYSA-N 426.064 4.323 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 539318811 KAPIXNWCOSBYBA-FXAWDEMLSA-N 449.479 4.075 5 20 IIBD C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1cccc(N2CCCC2)c1 540477396 CFPUAQOISHVOSS-CQSZACIVSA-N 447.333 4.247 5 20 IIBD COc1cc(CN(C)c2ncc([N+](=O)[O-])c(C)c2Br)ccc1OC(F)F 543435574 ZYZRZHWTOCQBAG-UHFFFAOYSA-N 432.221 4.307 5 20 IIBD C[C@H](C(=O)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1)c1ccc([N+](=O)[O-])cc1F 543540119 RPSWJKCSIQXUST-AWEZNQCLSA-N 428.439 4.458 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 543919779 OXIUUDWYNGUJFF-FQEVSTJZSA-N 449.429 4.428 5 20 IIBD CC(C)(C(=O)NCCCc1nc(-c2ccncc2)cs1)c1ccc([N+](=O)[O-])cc1F 545154404 OWZRCNGZBAVKCL-UHFFFAOYSA-N 428.489 4.279 5 20 IIBD CCn1c(SCc2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)nnc1-c1ccccc1C 545552710 KMSLAHHXTGSVCT-UHFFFAOYSA-N 437.485 4.106 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 546626595 RCMACSMZBFRRKE-HNNXBMFYSA-N 438.509 4.166 5 20 IIBD O=C1C[C@@H](c2nc(-c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3)no2)CN1CC(F)(F)F 547176469 HHJJXNUAWSWDIT-CYBMUJFWSA-N 448.357 4.315 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)c1noc(CCNc2ccccc2[N+](=O)[O-])n1 547223106 YQSPDQIPSQJDNX-KRWDZBQOSA-N 433.262 4.131 5 20 IIBD CCOc1ccc([C@@H](C)NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)cc1[N+](=O)[O-] 551780514 FMBGDWVRDYWRKQ-GFCCVEGCSA-N 446.447 4.267 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccc(NC(=O)C3CC3)nc2)cc1[N+](=O)[O-])c1ccccn1 553276415 ZPFHGRWIZXKYLG-AWEZNQCLSA-N 446.467 4.159 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1 554867167 OBJLXZHHMKGUOB-UHFFFAOYSA-N 432.480 4.231 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(NCC2(c3ccc(Cl)cc3Cl)CCOCC2)n1 561154739 UJWBILZIUGJYEE-UHFFFAOYSA-N 440.283 4.244 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCC(=O)Nc1cc(Br)ccc1C 565571834 MXCRVAWFFUMMCL-UHFFFAOYSA-N 449.305 4.378 5 20 IIBD CCN(Cc1ccccc1)C(=O)Cc1noc(-c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 569778324 RVSPFNSCPLPVMT-UHFFFAOYSA-N 434.374 4.255 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CN[C@H]2CCO[C@@H](c3ccccc3)C2)c1 574123041 GUJZPSPBEYGUAZ-FUHWJXTLSA-N 438.265 4.209 5 20 IIBD Cc1c(Cc2noc(C(C)(C)S(=O)(=O)c3ccc(Cl)cc3)n2)cccc1[N+](=O)[O-] 575162207 SJLSBICVOKOAFV-UHFFFAOYSA-N 435.889 4.239 5 20 IIBD COc1cc(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)cc(Br)c1OC 576431598 WXNCUNRFUKZMCH-UHFFFAOYSA-N 449.261 4.079 5 20 IIBD C[C@H](c1ccccc1)N(CC1CCC1)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 577428479 ALGGXRWZAMCQTB-OAHLLOKOSA-N 429.904 4.368 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)c1[N+](=O)[O-] 581996113 DWNHLIVQWPZKDF-QGZVFWFLSA-N 441.509 4.225 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CCc3ccccc3O2)C1 583844145 UDGFMIDODVCKFE-HXUWFJFHSA-N 431.286 4.276 5 20 IIBD Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2c2nc(-c3ccc([N+](=O)[O-])s3)no2)c(C)c1 589147289 NDTNLLKMMCEARK-CQSZACIVSA-N 448.526 4.157 5 20 IIBD Cc1cn2c(CNC(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(C)nc2s1 590402791 GAOQWNJQECTUJY-UHFFFAOYSA-N 441.435 4.058 5 20 IIBD O=C(CSc1ccc2c(c1)OCCO2)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 603613651 FDCLPLITSDJZPB-UHFFFAOYSA-N 442.415 4.049 5 20 IIBD CC(=O)c1ccc(NC[C@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)c([N+](=O)[O-])c1 603860020 JJMONKWTLSZPIC-RNODOKPDSA-N 435.883 4.464 5 20 IIBD CC(C)[C@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2cccnc2)no1 608799260 RJLLCDWFKRAYOH-DYVFJYSZSA-N 427.486 4.034 5 20 IIBD O=C(Nc1ccccc1NC(=O)c1cccs1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 608809107 RAMSJJDKRJBRDN-UHFFFAOYSA-N 433.449 4.347 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(CNCc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)C[C@@H](C)O1 608836520 OLILBPIUDAGILA-HDICACEKSA-N 449.507 4.394 5 20 IIBD COc1ccc(C[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)c2ccccc2)cc1OC 608949078 RQHDGGOBUPOZNT-OAQYLSRUSA-N 436.464 4.091 5 20 IIBD COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)COc2ccc([N+](=O)[O-])cc2)cc1 609130230 MYFZKNBOGBUNEU-UHFFFAOYSA-N 436.464 4.220 5 20 IIBD C[C@@H](Nc1cc(F)ccc1OC[C@@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 609354126 NMMVRXTVMWPXCN-DOMZBBRYSA-N 437.855 4.384 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1N1CCSCC1 609468858 VTYFTHNTNUILGD-UHFFFAOYSA-N 436.921 4.002 5 20 IIBD Cc1nc(-c2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)cc2)oc1C 609501167 VRABGSIHKYBKEY-MRXNPFEDSA-N 440.481 4.171 5 20 IIBD CCCS(=O)(=O)Nc1cccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 609994923 ATJMDULHEGXGJJ-UHFFFAOYSA-N 446.510 4.122 5 20 IIBD CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 610046535 UIIPQSLDZIDMQN-FQEVSTJZSA-N 431.920 4.142 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCc2sc(Br)cc2C1 610935042 ARBJAXPEVQPDKY-SECBINFHSA-N 445.722 4.424 5 20 IIBD CC(C)(C(=O)OCc1csc(-c2ccc(C(F)(F)F)cc2)n1)n1cc([N+](=O)[O-])cn1 726660529 CEMMIVGOOQHDLN-UHFFFAOYSA-N 440.403 4.412 5 20 IIBD COC(=O)c1sc2cccc(F)c2c1COC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 727888085 SBLHEQGTJSEXDH-UHFFFAOYSA-N 433.413 4.030 5 20 IIBD O=C(COC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)Nc1cc([N+](=O)[O-])ccc1F 727932636 VANNNVYHLCAARM-RYUDHWBXSA-N 427.215 4.326 5 20 IIBD COC1CCN(c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2C(F)(F)F)CC1 728013139 RIWWTANIMJNDKY-UHFFFAOYSA-N 437.418 4.410 5 20 IIBD CC(C)(C)c1ccccc1OCC(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730705376 VSNWRCZZTVJXOK-KRWDZBQOSA-N 440.496 4.119 5 20 IIBD O=C(COC(=O)c1csc(-c2ccoc2)n1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 731090549 HAURYUPVCFVXER-UHFFFAOYSA-N 441.343 4.126 5 20 IIBD O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 731479792 TVHPBUXXYVVIBF-NRFANRHFSA-N 429.904 4.090 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)O[C@@H](Cc1ccc(Cl)cc1)C(F)(F)F 733946104 HIHYNEVAOSYZPB-INIZCTEOSA-N 427.766 4.315 5 20 IIBD Cc1[nH]nc(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)c1[N+](=O)[O-] 735480374 GNWCOBTTXRMHGD-UHFFFAOYSA-N 449.782 4.049 5 20 IIBD O=C1/C(=C/c2cc(Cl)ccc2[N+](=O)[O-])NC(=S)N1c1ccc(OC(F)(F)F)cc1 739426943 XWWMOBYVXRQAEJ-JYRVWZFOSA-N 443.790 4.409 5 20 IIBD Cc1ccc(-c2csc(NC(=O)c3cc(N4CCOC4=O)ccc3F)n2)cc1[N+](=O)[O-] 741523990 OHBYBNVAYNMJMG-UHFFFAOYSA-N 442.428 4.375 5 20 IIBD CC(C)C(=O)N(C)Cc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2Br)cc1 741570708 WNLOTSLJOOKYAD-UHFFFAOYSA-N 449.301 4.329 5 20 IIBD Cn1nc(C(=O)Oc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)cc1C1CC1 741885340 ORORAZRIFKITNK-UHFFFAOYSA-N 431.404 4.198 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2ccc(OC(F)F)cc2OC(F)F)cc1[N+](=O)[O-] 742029086 YQGSAEFIUCQUPA-UHFFFAOYSA-N 442.318 4.046 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)N(c2ccc(O)cc2)S(=O)(=O)c2ccc(C)s2)c1 744063923 QBCQYFPWJVQVKX-UHFFFAOYSA-N 432.479 4.014 5 20 IIBD Cn1cc(-c2cccc(C(=O)OCCOc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)c2)cn1 744064452 WMUSDMCGQYSGDI-UHFFFAOYSA-N 435.358 4.250 5 20 IIBD O=C(COC(=O)COc1cc(Cl)cc(Cl)c1)Nc1ccc(Cl)cc1[N+](=O)[O-] 745600703 IOJYFQBWUAHMBP-UHFFFAOYSA-N 433.631 4.116 5 20 IIBD O=C(Nc1ccc(OS(=O)(=O)c2ccc3ncccc3c2)cc1)c1cccc([N+](=O)[O-])c1 747239863 FSHXJANHATYJQJ-UHFFFAOYSA-N 449.444 4.163 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)cc([N+](=O)[O-])c1 748662788 JEWUJMMNJVXXAU-UHFFFAOYSA-N 449.916 4.230 5 20 IIBD CC(=O)N[C@@H](CC(=O)O[C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 749060579 YEDPQQWTOKLTLM-PXAZEXFGSA-N 435.274 4.229 5 20 IIBD CN(C)[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1cccc(F)c1 749410342 MAISEOVHMRIGPB-OAHLLOKOSA-N 444.688 4.183 5 20 IIBD Cc1ccc(C2=CCN(C(=O)c3ccc([N+](=O)[O-])cc3I)CC2)cc1 751069039 XVDCJCUBOZCJDE-UHFFFAOYSA-N 448.260 4.437 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC[C@H](C4(C)OCCO4)C3)cc2[N+](=O)[O-])n1 753334495 NRBKWNNSCYKNMU-HNNXBMFYSA-N 449.554 4.126 5 20 IIBD Cc1csc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1Br 753651585 QXYDRDSKTJRFPW-MRVPVSSYSA-N 431.239 4.050 5 20 IIBD CN(C(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccccc1C(=O)NCc1ccco1 753943071 GVSYZXQQUXEXLC-UHFFFAOYSA-N 439.493 4.014 5 20 IIBD CCc1cc(N2CCOC[C@@H]2C[C@H](O)c2cccs2)nc(-c2ccc([N+](=O)[O-])cc2)n1 754026289 ZUEYHHSSLONPGG-OALUTQOASA-N 440.525 4.005 5 20 IIBD COc1ccc(C(=O)Nc2ccc(C(=O)Oc3cc([N+](=O)[O-])ccc3OC)s2)cc1 757545963 MRYNXOKPYVDPGR-UHFFFAOYSA-N 428.422 4.145 5 20 IIBD CCOc1cc(NC(=O)N2CCC[C@H]2C[C@@H](O)c2ccco2)c([N+](=O)[O-])cc1OCC 758521510 HHXUUKOIAPHYCJ-WMLDXEAASA-N 433.461 4.105 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@@H](c1cccnc1)c1cccc(C(F)(F)F)c1 759593534 GKAWXGIJNIAATA-LJQANCHMSA-N 434.374 4.236 5 20 IIBD Cc1c(C(=O)N(C)Cc2cccc(OC(F)(F)F)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 760092286 WTVUMOATHWFTER-UHFFFAOYSA-N 427.335 4.291 5 20 IIBD O=C1COc2ccccc2N1Cc1nc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)no1 761858768 OULIVNCPEYWUSF-UHFFFAOYSA-N 444.403 4.363 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(Cc3ccc(Oc4ncccn4)cc3)no2)ccc1-n1ccnc1 761896211 UNLKXTLGSYVQPI-UHFFFAOYSA-N 441.407 4.004 5 20 IIBD O=c1cc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)oc2ccccc12 762262484 PYMUXYRUEMXJOM-UHFFFAOYSA-N 428.198 4.105 5 20 IIBD CS(=O)(=O)c1cccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c2ccccc2)c1 764279729 LSRXLAFOOMEXCL-FQEVSTJZSA-N 444.896 4.171 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC(O)(c4ccccc4)CC3)cc2[N+](=O)[O-])C1 768584634 WWIISUYDHOQJIH-OALUTQOASA-N 437.540 4.201 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])OCc1ccc(-c2ccsc2)cc1 768698647 JFJAEBCMRCAXMA-UHFFFAOYSA-N 430.869 4.450 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2Br)cs1 768888150 KPTDJNJSRYGQOM-UHFFFAOYSA-N 447.210 4.118 5 20 IIBD C[C@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 769082709 ADTIHNWIENZMRE-WMZOPIPTSA-N 446.548 4.304 5 20 IIBD C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 771932482 WIFFIAYOQYWXJC-CMPLNLGQSA-N 448.398 4.404 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(F)c(F)cc2Br)ccc1Cl 772568268 IZCSROCWMXVWSY-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD CCCOC(=O)[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 772812206 NEQBOGXIABLTPQ-RUZDIDTESA-N 429.472 4.392 5 20 IIBD O=C(O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 776130998 BMAJKRBOJOAOSD-OAQYLSRUSA-N 445.391 4.030 5 20 IIBD O=Cc1ccc(OCc2occc2C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1 778459689 ARLHKTLCFDPQAZ-UHFFFAOYSA-N 428.828 4.205 5 20 IIBD CC/C(C)=C(\C)C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 779728962 YXDNPLYCLVQXLB-QUALZDFUSA-N 437.905 4.147 5 20 IIBD Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 782267153 ORWVIWYQXLSGOL-UHFFFAOYSA-N 444.473 4.145 5 20 IIBD O=C(OCc1nc(Cc2cccc(F)c2)no1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 783909468 ILKIPNCJULQHFC-UHFFFAOYSA-N 425.294 4.084 5 20 IIBD CC(C)(C)OC(=O)NCc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)cc(C(F)(F)F)c1 785434242 JOFCUMODSRKKBO-UHFFFAOYSA-N 429.351 4.484 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2cccc3[nH]ncc23)c2ccccc2)c([N+](=O)[O-])c1 785593780 AMXXTTAHXGNIBN-OAQYLSRUSA-N 430.420 4.316 5 20 IIBD C[C@H](OC(=O)Cc1cc(-c2ccccc2)on1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 785968801 JJEKLGTUMWHBPL-LBPRGKRZSA-N 429.816 4.016 5 20 IIBD C[C@H]1C[C@@H](O)CN1Cc1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1 788268960 JFSQCRTZMZIEJO-SMDDNHRTSA-N 446.510 4.219 5 20 IIBD CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cn1 790595047 SEKOKKYADKKODZ-FQEVSTJZSA-N 443.891 4.232 5 20 IIBD COc1ccc(OC(=O)c2cc(Br)sc2Br)cc1[N+](=O)[O-] 792118581 QPGRGCSARDGRQA-UHFFFAOYSA-N 437.065 4.409 5 20 IIBD CC(C)(C)OC(=O)N1CC=C(CCNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 793406852 MMPZWEWINUCTNI-UHFFFAOYSA-N 444.532 4.226 5 20 IIBD O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)Oc2ccccc2OCC(F)(F)F)c1 795821153 FIMSHKUXXQLNOS-UHFFFAOYSA-N 429.731 4.096 5 20 IIBD Cc1nc2cc(F)c(F)cc2n1CC(=O)OCc1ccc(Br)c([N+](=O)[O-])c1 796002984 JISXQFFZCYDYQK-UHFFFAOYSA-N 440.200 4.037 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@H](C)[C@H]3OCCc4sccc43)CC2)ccc1[N+](=O)[O-] 796906007 DCVNVISHJGWJEP-SPLOXXLWSA-N 446.525 4.127 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)O[C@@H]2CC(C)(C)Oc3ccccc32)cc1OC 799436911 KCFRMAIWOYMYIY-HXUWFJFHSA-N 431.441 4.088 5 20 IIBD C[C@@H](OC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)c1nncn1C 805351760 ONEVVYJWEXDIKH-LLVKDONJSA-N 441.494 4.402 5 20 IIBD CC(C)(C)OC(=O)N1CCC(c2csc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)n2)CC1 807883184 IWKQXYIWUHXXIJ-UHFFFAOYSA-N 448.501 4.124 5 20 IIBD COc1ccc(C(=O)O[C@@H](C)c2ccc(S[C@H]3CCCCNC3=O)cc2)cc1[N+](=O)[O-] 809051969 XBPTYPIJPDGJTB-XOBRGWDASA-N 444.509 4.282 5 20 IIBD COc1cc(OC)cc(N2CCCN(C(=O)Nc3cccc([N+](=O)[O-])c3Cl)CC2)c1 809919909 JJOKZFYIIYEBPK-UHFFFAOYSA-N 434.880 4.010 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](C2CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)CC2)C1 812350348 MRCQWPJROYREMQ-INIZCTEOSA-N 442.516 4.185 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCN(Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)CC2)C1 814228743 JKYMGMAHANVSPW-UHFFFAOYSA-N 441.532 4.139 5 20 IIBD C[C@H](c1ccc(F)cc1)N1CC[C@H](OC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1=O 815236179 RJOQMWUPJKFJKE-CMJOXMDJSA-N 444.462 4.339 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@@H](C)[C@@H]2OCCc3sccc32)CC1 817052160 WJZBWMGUEKZYKI-BTYIYWSLSA-N 429.542 4.325 5 20 IIBD C[C@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)c1ccc(N2CCCOC2=O)cc1 817299902 IHZNGVAJEPNULO-LBPRGKRZSA-N 437.374 4.451 5 20 IIBD Cc1cccc(-n2ncc(C(=O)O[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c2C)c1 900189179 HNEHENRENNKHNT-OAHLLOKOSA-N 433.424 4.365 5 20 IIBD O=C(Nc1cccc(C2SCCS2)c1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 913126993 WZKUKZJJMYUUCY-ZDUSSCGKSA-N 447.513 4.204 5 20 IIBD O=C(Cc1csc(NC(=O)Cc2cccs2)n1)Nc1ccc(Cl)c([N+](=O)[O-])c1 915139171 RDHBUBADEAQKJJ-UHFFFAOYSA-N 436.902 4.129 5 20 IIBD Cc1cc(=O)c(C(=O)OCc2ccc(SC(F)F)cc2)nn1-c1ccccc1[N+](=O)[O-] 916055860 NVJFJVYNEKMRDL-UHFFFAOYSA-N 447.419 4.121 5 20 IIBD O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(Cc2ccc(Br)s2)CC1 916559146 DWRCKAKAVSGSTF-UHFFFAOYSA-N 444.738 4.030 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Sc3nncs3)cc2)ccc1Cl 918161335 CVJOFDJMCIORPJ-UHFFFAOYSA-N 428.904 4.052 5 20 IIBD CCOc1ccc2ccccc2c1COC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 918510526 UVENLKHLCOVPHW-UHFFFAOYSA-N 440.477 4.081 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 918685741 PTEWHLLFGFOPKK-VXGBXAGGSA-N 439.356 4.398 5 20 IIBD CCc1c(C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cnn1C 919176736 ZWPCABOWESPUNA-LJQANCHMSA-N 442.859 4.081 5 20 IIBD CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl 1318568011 ZTGCDECBBUFGBJ-UHFFFAOYSA-N 433.892 4.132 5 20 IIBD Cc1c(I)cccc1NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 1319967605 OUKJHMDLKMXJJS-NSHDSACASA-N 425.226 4.391 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@H]3CCCc4cnn(C(C)C)c43)cc2[N+](=O)[O-])CC1 1320539390 VLYHCNJIJAVNSM-IBGZPJMESA-N 425.533 4.416 5 20 IIBD COc1cc(CCNC(=O)/C=C\c2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])cc1OC 1321878611 QQQQKNUMOZKQHZ-ARJAWSKDSA-N 425.268 4.291 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(Cl)cc3C(N)=O)cc2[N+](=O)[O-])C1 1335915312 WKSQMJMSRWOIOP-CHWSQXEVSA-N 430.892 4.082 5 20 IIBD Cc1cccnc1C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])o3)cc2)CCC1 1786205516 ACHROHDQPQJAHT-PKNBQFBNSA-N 446.463 4.352 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cc(Cl)ccc1F 1800520266 HOZTYZQFJMQYBM-MUJYYYPQSA-N 449.841 4.092 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)[nH]n1)C1CCCCC1 1816708744 JLGIBTNHBLNABL-LJQANCHMSA-N 443.479 4.343 5 20 IIBD C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)OCc2ccccc2[N+](=O)[O-])cc1 12666500 MDRODPSYKORXIW-IAGOWNOFSA-N 426.469 4.120 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1Oc1ccc(-c2nnco2)cc1 15166243 KWXQDNAVGXNZBD-UHFFFAOYSA-N 444.469 4.002 5 20 IIBD CCCN(C(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 15971686 JCAHJSZOBPJAIV-QGZVFWFLSA-N 448.566 4.094 5 20 IIBD O=C(Nc1cccc(Cl)c1)c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 58707253 KTPIQQLXUUYYSG-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD COc1ccc([C@@H](Cc2ccccc2C)NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1OC 63698742 IXMRAQQPWDOBPI-LJQANCHMSA-N 436.464 4.340 5 20 IIBD Cc1c(-c2ccccc2)sc2ncn(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)c(=O)c12 107673997 CGKSWZHMIFJWDH-UHFFFAOYSA-N 445.460 4.440 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)Cc2cccc(Br)c2)cc1OC 195678020 VOZZHNNFLIWUIP-LBPRGKRZSA-N 437.290 4.126 5 20 IIBD Cc1c(C(=O)Nc2ccc(OCc3cn4ccccc4n3)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 216941035 YKGKEBOYMBWIKC-UHFFFAOYSA-N 447.407 4.290 5 20 IIBD COc1cccc(Oc2ccc(CNCc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)cn2)c1 237529868 SHRVSYGNULNOPJ-UHFFFAOYSA-N 445.479 4.481 5 20 IIBD CN(C(=O)CSc1nnc(-c2ccccc2F)n1C1CC1)c1ccc([N+](=O)[O-])cc1 302922723 WIDCKGKDGAJCQS-UHFFFAOYSA-N 427.461 4.082 5 20 IIBD Cc1ccccc1CN(Cc1ccccn1)C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C 303527641 QQFQZSWAQPSEMB-UHFFFAOYSA-N 442.479 4.030 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(C3CC3)c(Cc3ccccc3F)s2)cc1 409671415 LGFWDQVKYGUCHR-UHFFFAOYSA-N 433.486 4.459 5 20 IIBD COc1cc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)ccc1OCc1ccc(F)cc1 425980188 KMFJOLPHZAKTKF-UHFFFAOYSA-N 440.475 4.355 5 20 IIBD CCCN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H](C)C(=O)Nc1ccccc1 429818539 HUUHBEWKFTYSQO-ZDUSSCGKSA-N 434.290 4.237 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])N1CCCCC1 429864339 IBFYPQJJWDELLE-OAQYLSRUSA-N 425.529 4.224 5 20 IIBD Cc1cc(OCC(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)ccc1[N+](=O)[O-] 430398855 JOXDVAXVKUTMEC-UHFFFAOYSA-N 431.448 4.124 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCC(CO)(c2ccccc2)CC1 431506099 FMFXHDZGHZKEPI-UHFFFAOYSA-N 431.361 4.174 5 20 IIBD O=[N+]([O-])c1ccc(Sc2cccs2)c(NS(=O)(=O)c2ccc3nc(O)oc3c2)c1 435138192 QEPDYIVZHKWBLL-UHFFFAOYSA-N 449.491 4.455 5 20 IIBD COc1cccc(-c2noc([C@@H](C)NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2)c1 437032603 LVMVNZDRKIOSCI-SNVBAGLBSA-N 436.346 4.163 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)cn2)cc1 437070345 BUFHQUXWANAROM-UHFFFAOYSA-N 446.463 4.220 5 20 IIBD COCCc1nc2cc(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])ccc2o1 439994547 IVQQVMVNASVDHA-UHFFFAOYSA-N 439.346 4.118 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1)N(C[C@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F 440421534 JSLANKZEEWYVTC-INIZCTEOSA-N 439.409 4.261 5 20 IIBD O=C(N[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444005749 YMPQQVBOKPLJRF-CYBMUJFWSA-N 449.869 4.009 5 20 IIBD COc1cc(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c2ccccc2n1 444095036 FZYNLYBAKSDCHC-UHFFFAOYSA-N 427.435 4.307 5 20 IIBD CCO[C@@H]1C[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C12CCCC2 444117831 UJDGUQGTCSUPCH-WOJBJXKFSA-N 426.463 4.427 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N1CCc2ccc(Br)cc21 444988152 DXYWEXGUFIHDOP-UHFFFAOYSA-N 432.093 4.384 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cnn(-c4cccc(Cl)c4)c3C)n2)c1 445570114 DDEITBJEZXLRIK-UHFFFAOYSA-N 425.832 4.392 5 20 IIBD COc1ccc(C(C)(C)c2noc(-c3ccn(-c4cccc([N+](=O)[O-])c4)n3)n2)cc1OC 445693226 VJAJIOOMLWFALC-UHFFFAOYSA-N 435.440 4.174 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(Cc3ccc(OCC(F)(F)F)nc3)no2)ccc1N1CCCC1 446000631 CWZAUOQRRVBJFR-UHFFFAOYSA-N 449.389 4.172 5 20 IIBD COc1ccc(CC(C)(C)NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 446433183 PVWOEMNERUCQPW-UHFFFAOYSA-N 426.391 4.296 5 20 IIBD C[C@@H]1C[C@H](c2ccccc2F)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 447036872 HJAQRFRISGKMAJ-BDJLRTHQSA-N 443.294 4.268 5 20 IIBD COc1cc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)ccc1OCC(F)(F)F 447536862 QRSINFVBRBFQRX-CABCVRRESA-N 428.411 4.015 5 20 IIBD CCS(=O)(=O)Nc1ccc(Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])cc1 447674601 FEPJLGFGBQHLQS-UHFFFAOYSA-N 440.350 4.149 5 20 IIBD O=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CCOc2ccc([N+](=O)[O-])cc2C1 461397799 IQTHZODZTNSFHQ-UHFFFAOYSA-N 435.914 4.397 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[C@@](CO)(c2ccccc2)C1 461931278 IBMROKRJOPXDKB-HXUWFJFHSA-N 428.286 4.046 5 20 IIBD C[C@@H](CC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc(F)c(Br)c1 462337557 DFEGQTNPDFGMIF-JTQLQIEISA-N 435.253 4.183 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C[S@](=O)C2CCOCC2)c1 462640487 QJYGVCMBBIOULG-RQZFFVEVSA-N 444.553 4.230 5 20 IIBD COc1cc(C(=O)NCC2(c3cc(F)cc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])cc1OC 468064615 KUOXVOHQOGNEHF-UHFFFAOYSA-N 442.365 4.232 5 20 IIBD COCCOc1cc(OC)ccc1C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 472548915 HLWYKPIJSOXIMY-UHFFFAOYSA-N 443.481 4.029 5 20 IIBD CC(C)c1ccc(C(=O)N2CCCCC[C@@H]2c2noc(-c3cnn(C)c3)n2)cc1[N+](=O)[O-] 474187210 BQKNCEAZGBAETC-GOSISDBHSA-N 438.488 4.259 5 20 IIBD COc1cc(S(=O)(=O)N2CC=C(c3ccccc3C(F)(F)F)CC2)ccc1[N+](=O)[O-] 477120037 KXZRXFYWUKHIFC-UHFFFAOYSA-N 442.415 4.100 5 20 IIBD CC(C)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1C(N)=O 478528897 MCCPPKCYNZEHCU-UHFFFAOYSA-N 448.479 4.345 5 20 IIBD COc1cc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)cc([N+](=O)[O-])c1C 479901542 MEMIUMUMANVOCT-UHFFFAOYSA-N 443.463 4.090 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H](c2ccc(Cl)cc2)c2cnccn2)c1C 480990565 LGEGEDMKVNUUHO-LJQANCHMSA-N 446.916 4.065 5 20 IIBD Cc1ccc(-n2ncc(NC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)c2C(C)C)cc1 481889269 FTKJMKXQFNVISE-UHFFFAOYSA-N 449.511 4.301 5 20 IIBD COc1cc(C(=O)NC[C@H]2CCCC[C@@H]2C(F)(F)F)c([N+](=O)[O-])cc1OC(F)F 482202850 ALLGHCHDJWHTIH-KOLCDFICSA-N 426.338 4.303 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC)c(Br)c1 487567410 UTBKALUYCXPNOT-UHFFFAOYSA-N 441.303 4.357 5 20 IIBD CN(CC(=O)NCc1cccs1)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 487595011 WUTOTAAZFMJBAJ-UHFFFAOYSA-N 441.534 4.196 5 20 IIBD Cc1nc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)sc1Cc1cccc(Cl)c1F 487600690 RMYWEIWVZQBECA-UHFFFAOYSA-N 437.884 4.313 5 20 IIBD C[C@@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1ccc(NC(=O)NC2CC2)cc1 488393143 FQUDBYGIXHTYTI-CQSZACIVSA-N 425.489 4.174 5 20 IIBD C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 488532999 XXRVZJDUIRNSLB-IAGOWNOFSA-N 447.495 4.151 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](CO)Cc1c(F)cccc1Cl 490187694 NVCSTEZAMRYDSW-LBPRGKRZSA-N 426.897 4.080 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2C[C@H](CC(=O)N(C)C)c3cc(Cl)ccc32)cc1[N+](=O)[O-] 493260483 SIDOAMNUPAONBY-ZBFHGGJFSA-N 444.919 4.409 5 20 IIBD CC(C)n1c(Sc2ccc([N+](=O)[O-])cc2Br)nnc1[C@@H]1CCCNC1 497129879 NQPKEQZKNGTFQZ-LLVKDONJSA-N 426.340 4.148 5 20 IIBD COc1cccc(CN(C[C@@H]2CCCO2)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 497800229 QGKBFINCUWZCFK-KRWDZBQOSA-N 436.411 4.026 5 20 IIBD O=C(N[C@@H](c1cccc(F)c1)c1ccccn1)c1ccc([N+](=O)[O-])cc1Br 498885676 VLBMQOUCMQYBRC-SFHVURJKSA-N 430.233 4.411 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 499726468 CEYWMDQOZLETPG-UHFFFAOYSA-N 431.374 4.002 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)c1 499833339 YWCAAIWVSPYNRK-QGZVFWFLSA-N 437.315 4.293 5 20 IIBD C[C@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1ccccc1C(F)(F)F 500117823 GFOLVLLAACXDCO-KGLIPLIRSA-N 437.418 4.042 5 20 IIBD COC(=O)c1cc(NC(=O)C(C)(C)c2csc(-c3cccs3)n2)cc([N+](=O)[O-])c1 503589374 UCYHYGRQZUSGEJ-UHFFFAOYSA-N 431.495 4.483 5 20 IIBD CC(C)(C)c1ccc(Oc2ccc(CNCCC(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 507928239 CNGYDGWROQJWCS-UHFFFAOYSA-N 441.528 4.023 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)c([N+](=O)[O-])c1 509571759 SYFVZAAONIYJFA-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD Cc1ccc(OCc2ccccc2)c(NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c1 514056682 JKWWGABVJKCLSY-UHFFFAOYSA-N 440.477 4.138 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)c1ccc(OCC(C)C)c(OC)c1 515561629 JMTAEBLANHPBGS-HNNXBMFYSA-N 443.500 4.017 5 20 IIBD NC(=O)c1ccc(SCC(=O)Nc2ccccc2COc2ccccc2)c([N+](=O)[O-])c1 515730381 PCSCEWUSNZZXTO-UHFFFAOYSA-N 437.477 4.004 5 20 IIBD O=C(N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 518935349 BOTCVQHPHVKESX-HNNXBMFYSA-N 430.867 4.263 5 20 IIBD O=C(NCCOc1ccccc1-c1ccccc1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 521072397 UJRHFWSZLPJSSH-UHFFFAOYSA-N 429.432 4.324 5 20 IIBD CCC(CC)(CNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccc(Cl)cc1 523116046 YSJMXJLMLXHBLI-UHFFFAOYSA-N 445.951 4.233 5 20 IIBD O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)c1cc([N+](=O)[O-])cc2c1OCCO2 524328231 DVYHDMRKJMGACM-UHFFFAOYSA-N 432.738 4.213 5 20 IIBD Cc1nc(-c2cnn(C)c2)sc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 524492693 DSFYYXLVOFHMCA-UHFFFAOYSA-N 426.483 4.136 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ccc(S(C)(=O)=O)cc3)cc2)c1 525669422 NVFHEXBWWICXPR-UHFFFAOYSA-N 426.450 4.351 5 20 IIBD Cc1ccc(NCCCNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)nc1 530883960 AVGSGPITVDXZKX-KRWDZBQOSA-N 434.500 4.098 5 20 IIBD O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 533328360 GWHBPHVQAOOOOO-UHFFFAOYSA-N 448.445 4.416 5 20 IIBD COC(=O)Cc1sc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)nc1-c1ccccc1 534229142 BRMLIDZKCHWXEZ-UHFFFAOYSA-N 436.449 4.167 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCC[C@H]1[C@@H](O)C(F)(F)F 535442616 QYLUSQLXLDLCLI-DOTOQJQBSA-N 426.416 4.274 5 20 IIBD CCO[C@@H]1C[C@@H](O)C12CCN(Cc1ccc(N(C)c3ccccc3)c([N+](=O)[O-])c1)CC2 536660732 PMDNJMLWZBONOU-DHIUTWEWSA-N 425.529 4.115 5 20 IIBD Cc1ccc(S(=O)(=O)NC[C@@H](NCc2ccc([N+](=O)[O-])cc2)c2ccccc2)c(C)c1 537158449 BRDRNPYSZVSLET-JOCHJYFZSA-N 439.537 4.021 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)[C@H]1CCC(=O)C[C@H]1C 538448259 LDQWLIBZBOKWMC-WBMJQRKESA-N 430.482 4.444 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(SC)ccc1C 539451418 RXIUPZDIBYPQOQ-KRWDZBQOSA-N 433.555 4.115 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCc3cc(Br)cc(F)c3C2)c1 539588518 CMBGNIFGUGJPRW-UHFFFAOYSA-N 437.265 4.159 5 20 IIBD COc1ccccc1-c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)c1 540732337 UCPJJQHPAQXTEN-UHFFFAOYSA-N 433.464 4.359 5 20 IIBD CCc1nc2ccccc2n1C1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC1 541318962 PWGIPFXANBEPDB-UHFFFAOYSA-N 437.500 4.062 5 20 IIBD CC(C)S(=O)(=O)Cc1cccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1 541424928 HBNMCQZKPUNDJD-UHFFFAOYSA-N 442.946 4.302 5 20 IIBD Cc1cc(C(=O)NCC(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)ccc1[N+](=O)[O-] 542077370 CCEQMDTXLJIKQB-UHFFFAOYSA-N 449.429 4.058 5 20 IIBD CCc1ccc([C@H](NC[C@@]2(O)CCN(Cc3ccccc3)C2)c2ccc([N+](=O)[O-])cc2)o1 542470504 ISUMPXUHNKYQIF-RPBOFIJWSA-N 435.524 4.066 5 20 IIBD C[C@](NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)(C(N)=O)c1cccc(C(F)(F)F)c1 549526939 FEDFYTMYCKWZBX-MRXNPFEDSA-N 435.324 4.123 5 20 IIBD Cn1nccc1[C@H]1CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2Cc2cccs2)C1 549579788 ZMZKAAKBVRPNEQ-KRWDZBQOSA-N 449.540 4.081 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccco1)N1CCCCC1 550263247 GKVYCASLMZZMEO-QGZVFWFLSA-N 436.306 4.216 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCCC2=O)c(F)c1 550685372 LVQUVYZVNTZQHJ-UHFFFAOYSA-N 436.237 4.184 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC 558593593 ZTUIMPHQCUTHLN-UHFFFAOYSA-N 433.269 4.051 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC(Cc2nc3ccccc3[nH]2)CC1 560601553 RWAZHWMUSRHMCT-UHFFFAOYSA-N 433.512 4.166 5 20 IIBD Cc1ncsc1-c1nc2ccccc2n1CC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] 561705656 NFLMAUOCHMOTFR-UHFFFAOYSA-N 435.509 4.428 5 20 IIBD O=C(c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)N1CC2(CCOC2)C1 563648597 FIZNCBLLNVPKBE-UHFFFAOYSA-N 427.507 4.218 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCCc3c(Cl)sc(Cl)c32)cc1 570728921 AHALCKUHEVVEOF-ZDUSSCGKSA-N 435.354 4.404 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCc1nc(-c2ccncc2)cs1 576056531 KVNRDJXSRIOUTC-UHFFFAOYSA-N 447.314 4.157 5 20 IIBD COc1ccc(NC(=O)Cc2noc(-c3cccc(SC)c3[N+](=O)[O-])n2)cc1Cl 583169070 ZTYNZYSZBVWFFH-UHFFFAOYSA-N 434.861 4.210 5 20 IIBD O=C(NCc1cnc(-c2ccc(Cl)cc2)s1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 583950929 DUAYUFQFINWFDS-UHFFFAOYSA-N 439.884 4.487 5 20 IIBD Cc1c(C(=O)Nc2ccc(OCc3ccccc3)cc2)nnn1-c1cccc([N+](=O)[O-])c1 591709540 OFTLELABBAGGFA-UHFFFAOYSA-N 429.436 4.315 5 20 IIBD O=[N+]([O-])c1ccc(N2CCc3ccc(C(F)(F)F)cc3C2)c(F)c1N1CCOCC1 600853130 WZLVECLMNQZCHR-UHFFFAOYSA-N 425.382 4.152 5 20 IIBD CCCC(=O)Nc1cccc(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 603773354 IKTPIDARQXAXPV-UHFFFAOYSA-N 439.390 4.205 5 20 IIBD C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1=O 603818782 UDMOWNUSBDPFDU-RHSMWYFYSA-N 436.493 4.267 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2CCOc3ccccc3C2)c([N+](=O)[O-])c1 603873453 YLHPUHFXWNPITH-UHFFFAOYSA-N 432.432 4.011 5 20 IIBD Cc1cc(N2CCN(c3nn4cc(-c5ccc(F)cc5)nc4s3)CC2)ccc1[N+](=O)[O-] 603944466 PHGSYOLOAGSWNK-UHFFFAOYSA-N 438.488 4.140 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 604091268 XVNRWQOUASEABZ-UHFFFAOYSA-N 443.847 4.327 5 20 IIBD CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)CCNc1ccccc1[N+](=O)[O-] 604192249 OGJUYHVVNRPYBR-UHFFFAOYSA-N 425.464 4.017 5 20 IIBD Cc1c(C(=O)Nc2ccc(Oc3ccc(S(C)(=O)=O)cc3)cc2)cccc1[N+](=O)[O-] 608809652 MCJTZNIAGXOLLK-UHFFFAOYSA-N 426.450 4.351 5 20 IIBD Cn1c(C(=O)N2CCN([C@H](c3ccccc3)c3ccccc3Cl)CC2)ccc1[N+](=O)[O-] 608855822 RCNFULGSIZJTKV-JOCHJYFZSA-N 438.915 4.134 5 20 IIBD CC(C)OC(=O)c1ccc(Cl)c(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1 608897712 RQGDELQMTSWXLK-UHFFFAOYSA-N 428.832 4.251 5 20 IIBD CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 608931514 VIENTRFKPHXLQB-UHFFFAOYSA-N 426.347 4.426 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F 609100159 SNLCQUROTOHAMP-UHFFFAOYSA-N 443.403 4.071 5 20 IIBD COc1ccccc1[C@@H](NC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C)c1ccccc1 609374460 YEAWGKZONNXASK-QHCPKHFHSA-N 443.463 4.012 5 20 IIBD CC(C)c1ccc(C2(CNC(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)CCCC2)cc1 609375595 CFYLNGFIQDXCJH-UHFFFAOYSA-N 444.553 4.364 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NCc1ccc(OC2CCCCC2)cc1 609392726 MOQQWNHYBNXCHT-UHFFFAOYSA-N 445.903 4.006 5 20 IIBD COC(=O)c1cc(-c2nc(-c3ccc(Oc4ccc(F)cc4)nc3)no2)cc([N+](=O)[O-])c1 609475426 CWLKWVHSFZFHJL-UHFFFAOYSA-N 436.355 4.425 5 20 IIBD Cc1ccc(NCCCNC(=O)NCc2cc(Br)cs2)c([N+](=O)[O-])c1 610089925 CIJWXQCFOOGZFY-UHFFFAOYSA-N 427.324 4.029 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CN2CCC(O)CC2)cc1 611566370 PWAUGASRQJRZRO-UHFFFAOYSA-N 429.542 4.306 5 20 IIBD COc1ccc2c(c1)OC[C@@H](c1nc(Cc3ccc([N+](=O)[O-])cc3Br)no1)C2 612956082 NOWWJPCXGIVOJC-ZDUSSCGKSA-N 446.257 4.058 5 20 IIBD CCOc1ccc(-n2c(Sc3c([N+](=O)[O-])ncn3C)nnc2-c2cccc(C)c2)cc1 619685430 JIKDESVVDWUGMO-UHFFFAOYSA-N 436.497 4.434 5 20 IIBD COc1cc(CN2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1OC(F)F 725811664 HFFJQACUZQINOY-CQSZACIVSA-N 445.463 4.036 5 20 IIBD COc1cccc(NC(=O)[C@H](OC(=O)c2cc(C)cc([N+](=O)[O-])c2N)c2ccccc2)c1 727900398 KQKHPZWXWYURNX-OAQYLSRUSA-N 435.436 4.031 5 20 IIBD O=[N+]([O-])c1ccc(-c2cnn(CN3CCO[C@@H](c4ccc(Br)cc4)C3)c2)cc1 728897841 CVFCJIGDBBPDLS-HXUWFJFHSA-N 443.301 4.252 5 20 IIBD CC(C)c1cccc(O[C@H](C)C(=O)OC[C@@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])c1 730704040 LMBUOMVFRLVVSK-MJGOQNOKSA-N 440.496 4.334 5 20 IIBD CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C(=O)c1cc(F)cc([N+](=O)[O-])c1 731476936 QSYBEMYISKEKNA-UHFFFAOYSA-N 429.448 4.352 5 20 IIBD Cc1sc(NC(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)nc1-c1cccc([N+](=O)[O-])c1 732635130 XCQQFCAYPQZYQZ-QGZVFWFLSA-N 444.419 4.437 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1ccc(Cl)cc1[N+](=O)[O-] 733429692 NDDFMGCDBMTWNJ-OAHLLOKOSA-N 428.750 4.229 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCCCC[C@@H]1c1cccc(C)c1 735481032 PJYFTWBVNSFDLS-LJQANCHMSA-N 426.469 4.247 5 20 IIBD CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 735904471 OKJBXBZEQMJXCX-QGZVFWFLSA-N 434.876 4.427 5 20 IIBD C[C@H]1c2c(F)cccc2CCN1C(=O)c1ccc(I)c([N+](=O)[O-])c1 737698360 APZJSKLKUQQTRD-JTQLQIEISA-N 440.212 4.098 5 20 IIBD C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 737803972 GBFACAODWHIEHY-JTSKRJEESA-N 433.464 4.440 5 20 IIBD COc1cc(N2CCC(OC(=O)CCCOc3ccc(C)cc3)CC2)ccc1[N+](=O)[O-] 739383647 ADLVOJMBGCXDLP-UHFFFAOYSA-N 428.485 4.283 5 20 IIBD CC(C)(C(=O)OCC(=O)NCCc1cccc(Cl)c1Cl)c1ccc([N+](=O)[O-])cc1 740388338 LYOYQUJOSAMCSF-UHFFFAOYSA-N 439.295 4.081 5 20 IIBD COc1ccc(C(=O)OC[C@@H]2CCC(=O)N(C)[C@@H]2c2cccc(Cl)c2)cc1[N+](=O)[O-] 740606212 UKQUPBSGSLWRMD-MGPUTAFESA-N 432.860 4.023 5 20 IIBD CC(C)C[C@H](C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccccc1 741051030 NKLPCSBSNHBYQL-KRWDZBQOSA-N 442.468 4.068 5 20 IIBD CC(C)(C)OC(=O)N1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])c2ccccc21 741737740 FQQHLCSDIXTCBB-UHFFFAOYSA-N 427.457 4.152 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCN(C(=O)OC(C)(C)C)c2ccccc21 741754889 ZWMPZQLPKVBDDG-UHFFFAOYSA-N 447.513 4.244 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3cnc([C@H](C)OCC)s3)CC2)ccc1[N+](=O)[O-] 744203988 LJXKYRHFKMQYSB-AWEZNQCLSA-N 449.529 4.373 5 20 IIBD Cc1c(CC(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCCO3)cccc1[N+](=O)[O-] 747763639 LHOCUSUQUKLICM-UHFFFAOYSA-N 447.447 4.108 5 20 IIBD Cc1ccc(C(=O)N2CCSCC2)cc1OC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 749537433 NPDOGBAJBQTQFF-UHFFFAOYSA-N 426.450 4.058 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)[C@@H]2OCCc3ccccc32)c2ccccc2)c([N+](=O)[O-])c1 750079816 UXOREPLBPWDITG-DHIUTWEWSA-N 446.459 4.440 5 20 IIBD CC(C)N(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOCC2)cc1 751179886 BRCYLHYYIQYWCM-QGZVFWFLSA-N 429.542 4.354 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 751409651 CNARWKNOHFCWDR-HZFXBWRWSA-N 429.517 4.389 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCCCC[C@H]1C[C@H](O)c1ccco1 752097953 CWVHXKJHHGUJAY-UGKGYDQZSA-N 441.528 4.299 5 20 IIBD O=C(/C=C\c1ccc2ccccc2n1)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 752179054 WTSDCCKCYUIPDY-QQBSYFJQSA-N 431.448 4.004 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)NC1(c2cccc(F)c2)CCOCC1 755028559 OKRSCNFUKDXQNA-UHFFFAOYSA-N 438.253 4.324 5 20 IIBD CCc1ccc2c(COC(=O)Cc3ccc([N+](=O)[O-])cc3Br)cc(=O)oc2c1 756529926 VTLJEVXMQULMHO-UHFFFAOYSA-N 446.253 4.312 5 20 IIBD Cc1cc(F)cc(C(=O)Nc2cccc(OCCNC(=O)OC(C)(C)C)c2)c1[N+](=O)[O-] 758474267 RJWWXNBTLHMIOI-UHFFFAOYSA-N 433.436 4.198 5 20 IIBD CC(C)[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1N)C(=O)Nc1ccccc1C(F)(F)F 758961410 BINCEGJYWPRFGK-MRXNPFEDSA-N 425.363 4.016 5 20 IIBD O=[N+]([O-])c1ccc(CCc2nc(-c3ccc(OC4CCCC4)nc3)no2)c([N+](=O)[O-])c1 761963217 QUYUCJQFLUHFAC-UHFFFAOYSA-N 425.401 4.055 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1cccc(CC[C@H](O)c2ccccc2)c1 762988912 ANENGOFPUYHGPJ-QHCPKHFHSA-N 430.464 4.249 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1coc(-c2cccc(F)c2)n1 763809675 FNGGWSOTRMIFKM-UHFFFAOYSA-N 432.429 4.484 5 20 IIBD COc1ccccc1[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)NC(=O)OC(C)(C)C 764202639 IKPCYMDVDMWGOF-INIZCTEOSA-N 449.891 4.253 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)NC(=O)OC(C)(C)C 764202640 IKPCYMDVDMWGOF-MRXNPFEDSA-N 449.891 4.253 5 20 IIBD C[C@H](Cc1ccc(Br)cc1)C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 766235463 CXYOFFVLXBUWJX-GFCCVEGCSA-N 446.257 4.329 5 20 IIBD COc1cccc(C(=O)OCC(=O)Nc2ccccc2Oc2ccc(C)cc2)c1[N+](=O)[O-] 769604732 LSIUVJSJRPCTDU-UHFFFAOYSA-N 436.420 4.500 5 20 IIBD CN(CCC1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1)C(=O)OC(C)(C)C 769952736 ZSWLXEFEVZPZPZ-UHFFFAOYSA-N 445.520 4.114 5 20 IIBD O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)c1cc(Br)cc([N+](=O)[O-])c1 770175789 VCEOGQKSIRBRPF-UHFFFAOYSA-N 426.217 4.488 5 20 IIBD Cc1c(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cnn1-c1ccc(F)cc1F 770323130 DYVWISUTUVKPDU-UHFFFAOYSA-N 437.200 4.382 5 20 IIBD CC(C)c1ncc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)s1 773195423 PHCSUZBOFCGGTC-NSHDSACASA-N 446.510 4.482 5 20 IIBD Cc1ccccc1C1(C(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)CCOCC1 773400689 CPPMAUHROYSDGU-UHFFFAOYSA-N 434.286 4.457 5 20 IIBD CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cc1 775088423 UVWCNQLBXWRAOG-AWEZNQCLSA-N 430.482 4.482 5 20 IIBD C[C@H]1[C@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 776502169 FVOAMKASQIXEDA-ROUUACIJSA-N 449.551 4.011 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCCCCCC2)c(F)c1)c1cccc([N+](=O)[O-])c1 782777734 MBYRJDOBBOJMGX-MRXNPFEDSA-N 442.491 4.320 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1SC 783177673 KMNRYTZKYUDMSR-CYBMUJFWSA-N 440.518 4.129 5 20 IIBD CC(C)(C)OC(=O)NCCOc1ccc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1 784127673 ZOXKYDMIVHFPSW-MLPAPPSSSA-N 427.457 4.150 5 20 IIBD COc1ccc([C@@H](NC(=O)COC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C2CC2)cc1 784256640 KZSYYVJLHMTCAI-QFIPXVFZSA-N 426.469 4.151 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3c(C)nc4ccc(Cl)cn34)cc2)c(C)c1[N+](=O)[O-] 786645177 QJLMNKIYFGALTH-UHFFFAOYSA-N 438.875 4.318 5 20 IIBD O=[N+]([O-])c1ccc([C@H](O)COc2ccc(Oc3ncc(Br)cn3)cc2)cc1 788828026 BMSDBCSSUOPTGL-QGZVFWFLSA-N 432.230 4.052 5 20 IIBD Cc1cnc(COC(=O)c2ccccc2C(=O)c2ccc(F)c(F)c2)c(C)c1[N+](=O)[O-] 789438344 XSTKHBZQMATBGP-UHFFFAOYSA-N 426.375 4.473 5 20 IIBD COC(=O)c1occc1CN(C(=O)c1cc([N+](=O)[O-])cc(C)c1F)[C@@H](C)c1ccccn1 790414672 QDEKGVYHVZKJKJ-AWEZNQCLSA-N 441.415 4.221 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Oc2cccc(-c3nccs3)c2)ccc1[N+](=O)[O-] 790872757 YRSYZTMAQLRGDD-IBGZPJMESA-N 437.477 4.237 5 20 IIBD COCC[C@@H](Cc1cccc(Br)c1)C(=O)Oc1ccc(OC)c([N+](=O)[O-])c1 792118516 PFDXPCAIJLIEES-AWEZNQCLSA-N 438.274 4.167 5 20 IIBD CCC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)c1 795151328 OIIZXFOQGZPSPN-SFHVURJKSA-N 440.930 4.277 5 20 IIBD O=C(Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2Br)nc1)c1ccccc1 795889188 ACALDEQOMXDUOU-UHFFFAOYSA-N 441.241 4.257 5 20 IIBD CC(C)c1[nH]nc(C(=O)OCC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)c1[N+](=O)[O-] 796252791 HCLACODXAWTGAE-HNNXBMFYSA-N 434.468 4.031 5 20 IIBD Cc1ccc(NC(=O)COC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c(Br)c1 796440506 BKNOBMRDKNGOAE-UHFFFAOYSA-N 435.274 4.125 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)OCc3cncn3CC(F)(F)F)cc2[N+](=O)[O-])C1 797120664 DOPIQNOMDGFUJQ-KBPBESRZSA-N 440.422 4.193 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCC(OCc3ccccc3)CC2)c(Cl)cc1Cl 798225582 BPHALNBQBSHYJA-UHFFFAOYSA-N 445.324 4.272 5 20 IIBD Cc1c(C(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 800126843 WGFLIGSSRYPSDC-UHFFFAOYSA-N 431.298 4.452 5 20 IIBD Cc1cc(C(=O)Nc2c(F)ccc([N+](=O)[O-])c2C)c2cnn(Cc3cccs3)c2n1 800151672 QDIXFAJMDNOIPD-UHFFFAOYSA-N 425.445 4.458 5 20 IIBD C[C@@]1(C2CC2)NC(=O)N(c2ccc(CNc3ccc([N+](=O)[O-])cc3OC(F)F)cc2)C1=O 804701214 QINLOGBWPKRABO-NRFANRHFSA-N 446.410 4.033 5 20 IIBD CC(C)c1ccc(C[C@H](C)NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1 810379005 NAJMGHZOFNFSSE-ZDUSSCGKSA-N 448.317 4.167 5 20 IIBD CSC[C@@H](C)C(=O)N1CCC(C(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 811086338 UFDQGFCMJGNDDW-LLVKDONJSA-N 449.356 4.183 5 20 IIBD O=C(OCc1nc(COc2ccc(F)cc2)no1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811373881 RTUSPDBOMRJZRE-UHFFFAOYSA-N 442.186 4.360 5 20 IIBD CC[C@H](C)c1ccc(N2C(=S)N[C@@H](c3ccc([N+](=O)[O-])o3)C(C(=O)N(C)C)=C2C)cc1 812734620 OUHAEGFQPOAWQW-RBZFPXEDSA-N 442.541 4.499 5 20 IIBD O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813390366 XWHICKWMVICAMR-UHFFFAOYSA-N 437.283 4.328 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1(Cc2ccc(F)cc2)CCOCC1 814492163 FVYNEHMZELSLSY-UHFFFAOYSA-N 440.427 4.472 5 20 IIBD C[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 841979674 RFGLTRIQXLSFKE-DCXXXQMHSA-N 434.536 4.027 5 20 IIBD C[C@H](OC(=O)[C@H](C)Oc1ccccc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 914641610 BKDNRVPUGKETRH-QWRGUYRKSA-N 427.240 4.239 5 20 IIBD O=C([C@@H]1CC1(Cl)Cl)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 916419623 NPIBESQAXAHWFC-HNNXBMFYSA-N 440.352 4.161 5 20 IIBD COc1ccc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1 916665222 JRDFBSQDCDHUNY-ZIAGYGMSSA-N 428.445 4.246 5 20 IIBD Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 920777721 MLEYHFFQLSRLOL-LLVKDONJSA-N 427.240 4.159 5 20 IIBD O=C(Nc1nc2ccc(Br)cc2s1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 921275711 BJRNTCSFKGLNQW-UHFFFAOYSA-N 444.270 4.405 5 20 IIBD C[C@H](C(=O)N1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1cccc([N+](=O)[O-])c1 1116788651 KQDDEUGOXLEQFX-KRWDZBQOSA-N 431.533 4.338 5 20 IIBD O=C(NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 1261246723 YIHPQEBOAQZQSQ-SEJPIABJSA-N 445.523 4.096 5 20 IIBD Cc1cc([C@H](C)NC(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c(C)o1 1318018551 FBUVGFDBPANJIA-AWEZNQCLSA-N 444.465 4.063 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@@H](Cc3nccn3C)C2)c([N+](=O)[O-])c1 1341242767 XEBIBKGYOGATIW-CYFREDJKSA-N 447.539 4.271 5 20 IIBD Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ccn(C)c4)cc3)CCC2)cc1[N+](=O)[O-] 1787238623 VUDMDJYFMNXVPW-UHFFFAOYSA-N 446.507 4.232 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3c(F)cccc3F)cc2)CCC1)c1ccc([N+](=O)[O-])[nH]1 1790221756 KGWQLVYHMDMSHU-UHFFFAOYSA-N 440.406 4.263 5 20 IIBD Cc1cc(Cl)ccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc([N+](=O)[O-])o1 1793270768 CDUXUFAMVBMZIG-ORIYUZMUSA-N 443.887 4.115 5 20 IIBD Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)C3)o1 1793751939 XDZFNMGQTXVJGK-MUJYYYPQSA-N 431.876 4.024 5 20 IIBD CC(C)CCC(=O)N1CCC2(CCCN(C(=O)Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 1805484758 DAPAIJMLXYTRGR-UHFFFAOYSA-N 449.979 4.458 5 20 IIBD O=C(CC1CCCC1)N1CCC2(CCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)CC1 1806490711 UYWIJZCOYDGGJD-UHFFFAOYSA-N 441.572 4.339 5 20 IIBD Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc([N+](=O)[O-])o3)n[nH]2)c(C)c1 1814311051 AADJCZUVHHGLDK-KRWDZBQOSA-N 437.456 4.147 5 20 IIBD Cc1ccoc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1827740908 GYZMOTMORRCQKO-LJQANCHMSA-N 443.475 4.182 5 20 IIBD CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccccc3[N+](=O)[O-])CC2)CC1 1832903126 QKNCMCHNCIGTNU-SQUSKLHYSA-N 425.529 4.028 5 20 IIBD Cc1ccc(C(=O)N2CCCC23CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C3)cc1Cl 1841149132 GEOQREDWTKZUKN-UHFFFAOYSA-N 441.915 4.006 5 20 IIBD O=C(COC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)Nc1ccc(Cl)c([N+](=O)[O-])c1 11493468 JBDNMWSXPJVDPY-UHFFFAOYSA-N 435.223 4.087 5 20 IIBD CCCCN1C(=O)CC[C@H](C(=O)OCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1OC 19178959 FFRQNQDLSXSKSW-REWPJTCUSA-N 440.496 4.427 5 20 IIBD CCOc1cc(C(=O)O[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])cc1OC 19473710 GWCRSLVDLPFCTA-HDDXYUSQSA-N 431.485 4.333 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC3=CCCCC3)cc2)cc1[N+](=O)[O-] 22651640 DYCVWSWGJIBASK-UHFFFAOYSA-N 443.525 4.324 5 20 IIBD O=C(COC(=O)CSCc1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 22878768 GENDVEOACCNBCU-UHFFFAOYSA-N 446.378 4.168 5 20 IIBD COc1ccc([C@H](CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)N2CCCCC2)cc1 27667914 LLZPROMOYISJCD-VGSWGCGISA-N 443.569 4.427 5 20 IIBD COC(=O)c1ccc(Cl)c(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 57974662 VXNIVOJMBYBZRO-UHFFFAOYSA-N 445.781 4.494 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1cccc(OCC(F)(F)F)c1 64420700 MTNPSEPFBUJFDY-LLVKDONJSA-N 432.782 4.273 5 20 IIBD Cc1cc(N2CCC(NC(=O)c3ccc(C)s3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 65231159 ARADNWZYBKSRQB-UHFFFAOYSA-N 437.525 4.129 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(NCc2ccccc2CN(C)C(C)C)c([N+](=O)[O-])c1 71954781 FWHJZFUPSZXLPN-UHFFFAOYSA-N 448.589 4.078 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccc(Cl)cc1NC(=O)c1ccco1 107658649 QHPFIEGFNWLYCR-UHFFFAOYSA-N 428.832 4.453 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccccc1NS(=O)(=O)c1ccccc1 109561038 HZIASJDLFSUSQV-UHFFFAOYSA-N 443.506 4.126 5 20 IIBD COc1ccc(-c2ccc(CNCCc3nccn3Cc3ccccc3)o2)c([N+](=O)[O-])c1 237416025 KSYOLSOSPUIVOB-UHFFFAOYSA-N 432.480 4.441 5 20 IIBD CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 255958465 WPKARWZBRBRKIF-AEFFLSMTSA-N 435.267 4.042 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2nc(-c3ccccc3)nc3ccccc23)CC1 301369763 SKPKTNMNPWDOMG-UHFFFAOYSA-N 439.475 4.167 5 20 IIBD Cc1nnc(Sc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])n1[C@H]1CCC[C@@H](C)C1 301849902 WILMXUFOLATGCQ-PWSUYJOCSA-N 446.501 4.393 5 20 IIBD CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 302953433 CLMLWWNRWUMNCR-CYBMUJFWSA-N 447.797 4.171 5 20 IIBD O=C(c1cnc2c(cnn2Cc2ccccc2)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 427601722 BJXGCGWBZAEBDY-UHFFFAOYSA-N 427.464 4.193 5 20 IIBD CN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 428707044 GPVOTHAWEJIVNF-NQIIRXRSSA-N 442.947 4.417 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 428934434 WJTUZHVWCFDYOJ-IFXJQAMLSA-N 437.418 4.323 5 20 IIBD O=C(NCc1cccc(C(=O)NCc2ccco2)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437132225 FODLRCXUBSGBLK-UHFFFAOYSA-N 447.369 4.067 5 20 IIBD COC(=O)c1ccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1C(=O)OC 437154108 INLSDXGRGSIMFH-UHFFFAOYSA-N 449.419 4.164 5 20 IIBD CN(C)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1Cl 437295657 VTOKPZDWEXRUGA-UHFFFAOYSA-N 431.798 4.460 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C(C)C)c(O)cc1C 439223368 NEXVFFCOESMFRL-SFHVURJKSA-N 445.541 4.222 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCNC(=O)c3ccc(Br)cc32)cc1[N+](=O)[O-] 439303026 OEMWCGGFLCPAJG-UHFFFAOYSA-N 446.301 4.045 5 20 IIBD O=C(Nc1cc(Cl)c(Cl)cc1F)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 439858923 SLNIRQJBFDRHCN-UHFFFAOYSA-N 426.231 4.170 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 443642194 NNGIZWYNPIFZKH-OAHLLOKOSA-N 426.448 4.392 5 20 IIBD COc1cc(NC2CCN(C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc(OC)c1 443681103 DASQKIZODHVDTM-MRXNPFEDSA-N 442.516 4.268 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(C)c(C)c3ncccc23)ccc1[N+](=O)[O-] 443923320 YQKZFRBZVUZHKQ-NRFANRHFSA-N 432.480 4.312 5 20 IIBD C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)Oc1cccc(F)c1 444095668 MPHPDHRGPLIPEF-LBPRGKRZSA-N 426.394 4.296 5 20 IIBD CCOc1cccc(/C=C/c2nc(-c3c([N+](=O)[O-])ncn3C)no2)c1OC1CCCC1 445571640 AMJFPTFYDZOJOU-VAWYXSNFSA-N 425.445 4.269 5 20 IIBD COc1ccc(Cl)cc1C1(CNC(=O)CCc2cccc([N+](=O)[O-])c2)CCOCC1 445909226 CVGBXCLFZRLJAV-UHFFFAOYSA-N 432.904 4.054 5 20 IIBD CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CC[C@@](C)(c2ccccc2)C1 446558099 SABJNUMXUHACFB-NZQKXSOJSA-N 443.931 4.193 5 20 IIBD COCCn1c(SCc2ccc([N+](=O)[O-])cc2C(F)(F)F)nnc1-c1ccncc1 448108266 OQIUKLCXNGMDNT-UHFFFAOYSA-N 439.419 4.206 5 20 IIBD COc1cc(CN2CCN([C@@H](C)c3ccsc3)CC2)c([N+](=O)[O-])cc1OC(F)F 462452803 ASCXFCLDYOZSGA-ZDUSSCGKSA-N 427.473 4.145 5 20 IIBD C[C@@H](CC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccc(F)c(Br)c1 462461134 VTTGLTANIOURBZ-LBPRGKRZSA-N 437.265 4.411 5 20 IIBD CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 464732466 HCYKLHMZIDUHKN-MRXNPFEDSA-N 445.482 4.395 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)C[C@H]1CCN(Cc2ccccc2)C1 464834832 HKLBITPADJTFRP-SJLPKXTDSA-N 430.936 4.029 5 20 IIBD COc1cc(CNC[C@@]2(C)CCO[C@H]2C2CC2)c([N+](=O)[O-])cc1OCc1ccccc1 466451511 JWJRUZLLDGJBNO-BJKOFHAPSA-N 426.513 4.477 5 20 IIBD CC[C@@H](NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1nc(C(F)(F)F)cs1 466672981 ZNSWBAKLCQFCJH-GFCCVEGCSA-N 443.451 4.053 5 20 IIBD Cc1cc(C(=O)N(Cc2cccc(Br)c2)C2CCOCC2)ccc1[N+](=O)[O-] 468160454 QDFFZMQGDCMNNY-UHFFFAOYSA-N 433.302 4.487 5 20 IIBD C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 469938079 HCJSXRYVHIUYFG-LBPRGKRZSA-N 436.295 4.167 5 20 IIBD CCn1c(CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)nc2cc(Br)ccc21 470147476 FQKFQUUYCQTJQS-UHFFFAOYSA-N 436.241 4.188 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN3CCN(c4ccc5ccccc5n4)CC3)o2)c1 471206086 BSADQCPWHYBJBV-UHFFFAOYSA-N 429.480 4.163 5 20 IIBD Cn1cc(C(=O)NCC2(CCOCc3ccccc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 471549452 WAXHNFKFSJYIDP-UHFFFAOYSA-N 434.496 4.112 5 20 IIBD Cc1ccc(NC(=O)N2CCN(C(=O)c3cc4sccc4s3)CC2)cc1[N+](=O)[O-] 473685273 FETYFGZSKZNXLH-UHFFFAOYSA-N 430.511 4.169 5 20 IIBD COC(=O)Cn1ncc(NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)c1C 475441570 PVCKKVTUBCCQSN-UHFFFAOYSA-N 430.848 4.331 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 475581984 RPGQFBFHKHTGAL-INIZCTEOSA-N 443.479 4.416 5 20 IIBD C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1 479710370 ALWQTZMLQRCOLR-MRXNPFEDSA-N 433.468 4.047 5 20 IIBD Cc1ccc(Sc2ccc(CN[C@H]3CCN(CC(F)(F)F)C3=O)cc2[N+](=O)[O-])cc1 480919311 CPDCFUKONHQWHP-INIZCTEOSA-N 439.459 4.307 5 20 IIBD Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc(N2CCN(C(C)C)CC2)c1 481653029 AXOVSEASZKYCLN-UHFFFAOYSA-N 433.512 4.234 5 20 IIBD C[C@H](CC(N)=O)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2 482278058 QLJOPELMYNHAHB-WIZMWCRPSA-N 444.491 4.014 5 20 IIBD O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 482345034 PPMXXDWMKAASLB-OPAMFIHVSA-N 438.871 4.492 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccc(C(F)(F)F)nn2)cc1[N+](=O)[O-])c1ccccn1 484183555 ZRBIQFBIGSIAPE-LLVKDONJSA-N 432.362 4.224 5 20 IIBD CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)NCc1cccc([N+](=O)[O-])c1C 484522902 CCXDNPZBMFMEEA-UHFFFAOYSA-N 440.500 4.250 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)S(=O)(=O)Cc1cc2c(cc1Br)OCO2 485403305 MTFHATNAMFNDPM-LLVKDONJSA-N 442.287 4.070 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)c1 485809792 AYJXWUGPAPUHKC-CYBMUJFWSA-N 436.331 4.088 5 20 IIBD O=C(c1ccc(-c2cc(F)c(F)c(F)c2)cc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 487052860 KHFKHZAPXJLBCJ-UHFFFAOYSA-N 430.386 4.353 5 20 IIBD CC(C)(C)Cc1nc2cc(NC(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)ccc2o1 488307993 MGJASJWAYLNNHG-UHFFFAOYSA-N 426.477 4.390 5 20 IIBD CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 489146534 HBSNSWKEZBWRCE-OAHLLOKOSA-N 443.500 4.108 5 20 IIBD CC[C@H](C)c1nc([C@@H](C)NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)n[nH]1 489169491 PKUJVVJEZWKWCR-RRFJBIMHSA-N 437.504 4.286 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1[N+](=O)[O-] 489272109 TVNVVIHNVRYCKT-HUUCEWRRSA-N 425.489 4.309 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1S(=O)(=O)C1CCCC1 491207415 XHDKWYJDEOKVJT-UHFFFAOYSA-N 443.525 4.446 5 20 IIBD COc1c(F)cc(S(=O)(=O)Nc2ccc3nc(-c4ccccc4)[nH]c3c2)cc1[N+](=O)[O-] 491849997 LVMUEHVGEKLVLL-UHFFFAOYSA-N 442.428 4.087 5 20 IIBD CS(=O)(=O)c1cccc(NCc2ccc(OCc3cccc(F)c3)cc2)c1[N+](=O)[O-] 497520245 ARCJHXKVYPCKSA-UHFFFAOYSA-N 430.457 4.329 5 20 IIBD O=C(NC1CCN(c2nc3ccccc3s2)CC1)c1ccc([N+](=O)[O-])c2cccnc12 498186936 CSGILPIBJCSJGT-UHFFFAOYSA-N 433.493 4.152 5 20 IIBD O=C(NC1(Cc2ccc(F)cc2)CCOCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 499208850 HMMOZDSBHJRSHP-UHFFFAOYSA-N 426.366 4.274 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cc(N2CCNC2=O)ccc1Cl 499474326 XGYXHJMNKWKOGL-UHFFFAOYSA-N 428.754 4.049 5 20 IIBD O=C(N[C@H]1COc2cc(F)c(Br)cc21)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 500294965 TTWPXFLBHWNGEG-LBPRGKRZSA-N 449.154 4.379 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)N1CC2(CCCC2)c2c(F)cccc21 500995035 BEUDTWRSHLYZPY-UHFFFAOYSA-N 449.385 4.132 5 20 IIBD O=c1c2cnn(-c3cccc(C(F)(F)F)c3)c2ncn1Cc1ccc(Cl)cc1[N+](=O)[O-] 501141655 JCZXAZQDOIEECX-UHFFFAOYSA-N 449.776 4.211 5 20 IIBD CNC(=O)c1ccc(CSCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])cc1 502423869 HSDNHXLSZUOZFA-UHFFFAOYSA-N 426.441 4.040 5 20 IIBD Cc1[nH]c2ccccc2c1C1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 503434526 MDFGUBHQGCVVGA-UHFFFAOYSA-N 427.526 4.136 5 20 IIBD O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@H]2CCOc3c(-c4ccccc4)cccc32)cc1 503455102 LHLNUWZWYBBKQB-QFIPXVFZSA-N 438.505 4.248 5 20 IIBD COc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C(F)(F)F)cc1 505395664 LHLKPLVLGCUNSR-CQSZACIVSA-N 433.180 4.399 5 20 IIBD CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 505427567 NCFTVBYFMNZIRJ-IBGZPJMESA-N 432.318 4.266 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 506580929 PPWRGBIGURIEAY-AWEZNQCLSA-N 435.440 4.133 5 20 IIBD COc1cc(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)ccc1OCC(=O)N1CCCC1 507174852 SSPLGNTXDBBHKX-UHFFFAOYSA-N 441.528 4.015 5 20 IIBD C[C@H](NC(=O)COc1c([N+](=O)[O-])cnc2ccc(Br)cc12)c1ccccc1 508157941 APMZQSPAGWLGDX-LBPRGKRZSA-N 430.258 4.162 5 20 IIBD CCN(CC)C(=O)COc1ccc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1Cl 510777796 CGFRAKAFAGYCMQ-AWEZNQCLSA-N 448.907 4.378 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCCc2nc3ccccc3n2C(F)F)cc1SC 511380163 OWPQAUPWRMQBSC-UHFFFAOYSA-N 436.440 4.043 5 20 IIBD CS(=O)(=O)C[C@@H]1CCCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 514851760 QZIQNFBACCXDLD-MRXNPFEDSA-N 438.933 4.297 5 20 IIBD Cn1c(C(=O)N[C@@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)ccc1[N+](=O)[O-] 514935661 ZPJISBLFHKLQLF-SFHVURJKSA-N 443.385 4.348 5 20 IIBD CC(C)Oc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)N(C)C)cc1 515325008 FBEKMLFJBHSJRI-QHCPKHFHSA-N 440.544 4.333 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)[C@@H](C)N1CCOCC1 517838029 AJDALAIYSWNDAH-LSDHHAIUSA-N 449.960 4.238 5 20 IIBD C[C@@H]1CO[C@H](c2ccccc2Cl)CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 518973710 GBRBPMOXIYYLLW-BZNIZROVSA-N 431.297 4.052 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 520228047 QJIOTGJSPQIUKW-UHFFFAOYSA-N 425.382 4.101 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(I)cc1 520436445 XWGOILZOORUQLT-VIFPVBQESA-N 446.628 4.259 5 20 IIBD C[S@@](=O)Cc1cc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])ccc1Cl 523955064 SLQFGKJLCAGTDU-HHHXNRCGSA-N 431.297 4.188 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccc(C(F)(F)F)cc1 524187467 ZWUQWDCIMDLSQA-APWZRJJASA-N 435.402 4.470 5 20 IIBD COc1cc(C(=O)N[C@H](C)Cc2cccs2)c([N+](=O)[O-])cc1OCc1cscn1 524455062 FAWXKQMPIPNXIO-GFCCVEGCSA-N 433.511 4.061 5 20 IIBD CN(Cc1ccco1)Cc1ccccc1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl 525092299 ZCPSZCOIEWFOSP-UHFFFAOYSA-N 427.888 4.332 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)N1CC[C@H](CN2CCCC2)C1 525273954 PJEAGMRJYIPROG-VGOFRKELSA-N 442.947 4.346 5 20 IIBD CCOC(=O)c1cc(F)c(F)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 525521996 KMFAPGYYTWJMNC-SECBINFHSA-N 428.775 4.109 5 20 IIBD CN(c1ccccc1)c1ccc(CNC2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1[N+](=O)[O-] 532016292 ZZGGRHKPUORLGW-ZCYQVOJMSA-N 438.572 4.220 5 20 IIBD O=C(NC[C@@H](O)COc1ccccc1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 532147583 BNGZDNBNWPYHPK-QGZVFWFLSA-N 442.855 4.210 5 20 IIBD NC(=O)[C@H]1CCCN1Cc1cccc(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1 532748338 ORXVEJRZMGCWHN-OAQYLSRUSA-N 436.537 4.385 5 20 IIBD Cc1cc(NC(=O)NCc2cccc([N+](=O)[O-])c2)nn1CCCOc1ccc(F)cc1 535054878 GISJKJRTYAMBFS-UHFFFAOYSA-N 427.436 4.030 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 535446258 LOSSYTWHUGFVRS-HKBQPEDESA-N 437.521 4.408 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cc2c(cc1Cl)OCO2 535453897 KQPZKBLWLIRQRE-UHFFFAOYSA-N 431.754 4.436 5 20 IIBD Cc1cc(NS(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)ccc1[N+](=O)[O-] 537651999 MRNXVSOMSYKTBG-UHFFFAOYSA-N 436.383 4.121 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c1 539523469 VOAQGHDPBAGWDG-KSFYIVLOSA-N 449.910 4.274 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1C(F)(F)F 539609894 QOAOFEDUGNSALQ-UHFFFAOYSA-N 432.196 4.218 5 20 IIBD CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 541261640 JEMZENSMQNNFCE-QGZVFWFLSA-N 433.961 4.321 5 20 IIBD COC(=O)C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccc(OC(F)(F)F)cc1 541787228 KQSKPEYJSPNXLB-HNNXBMFYSA-N 445.325 4.058 5 20 IIBD O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc2oc3ccccc3c2c1 542604309 CGHXQXYDNSHZLM-UHFFFAOYSA-N 439.449 4.090 5 20 IIBD C[C@H](O)C[C@H](C)NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 543098862 ULJXBOKWLLHJRE-USUVONOQSA-N 425.510 4.411 5 20 IIBD Cc1cccc(C(=O)N2CCCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 543265269 AVBZKUVNAVJGRT-UHFFFAOYSA-N 447.944 4.023 5 20 IIBD CCOC(=O)C[C@H](C)N(C)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 544068059 DCJXJHYWOXVVMJ-AWEZNQCLSA-N 433.892 4.274 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Cc1c(C)[nH]c2ccc(Br)cc12 544124882 QEKSARCHPPNUKZ-UHFFFAOYSA-N 432.274 4.015 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3nc(-c4cccnc4OCC(F)F)no3)cs2)cc1 545134237 PVXPAXSWOYSZCN-UHFFFAOYSA-N 431.380 4.474 5 20 IIBD CCOc1c(Cl)cc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1Cl 545940746 XRMSETDVIVXJGC-UHFFFAOYSA-N 440.287 4.049 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2CN2CCOCC2)no1 547007188 OHJZWRUMZPWTDD-HNNXBMFYSA-N 426.498 4.330 5 20 IIBD CN(C)CCOc1ccccc1-c1noc(Cn2c3ccccc3c(=O)c3ccccc32)n1 547106761 CRLKVHXGWFMHTQ-UHFFFAOYSA-N 440.503 4.193 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])c1nnc(Cc2ccccc2Cl)n1C[C@H]1CCOC1 555445904 WPZMPZNKUDQZOK-MRXNPFEDSA-N 441.919 4.103 5 20 IIBD Cc1nc(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])nc2ccccc12 555510318 WKRYKYIDYUBHSV-UHFFFAOYSA-N 428.448 4.355 5 20 IIBD CCc1nccn1C[C@@H]1CCCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C 555848338 YFYAIMDKODGAIL-AWEZNQCLSA-N 436.310 4.121 5 20 IIBD Cc1c(C(=O)Nc2cccc(Br)c2Cl)nnn1-c1cccc([N+](=O)[O-])c1 558821156 UQIYHAHCLHPYLU-UHFFFAOYSA-N 436.653 4.152 5 20 IIBD Cn1ccnc1[C@@H](NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1ccc([N+](=O)[O-])cc1 560514700 QWTQIDQIGMYPEX-YADHBBJMSA-N 439.947 4.498 5 20 IIBD CCOc1cc(NC(=O)NC[C@@]2(C)OCCc3sccc32)c([N+](=O)[O-])cc1OCC 564399045 BNSHLKSNDUDPTN-HXUWFJFHSA-N 435.502 4.063 5 20 IIBD C[C@H](NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccncc2)cc1 565545172 FQGYIYWJPGPOKX-KRWDZBQOSA-N 447.495 4.187 5 20 IIBD COC(=O)c1cnc(N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c([N+](=O)[O-])c1 571888894 WYWZHVLABSWTJX-QGZVFWFLSA-N 439.390 4.375 5 20 IIBD COc1ccc([C@@H](C)Nc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)c(C)c1OC 579753773 NQQUEUWRXNVACV-CYBMUJFWSA-N 444.875 4.293 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)N(CCc2ccc(Cl)cc2)C[C@H](O)C(F)(F)F)c1 589528960 ZVTBIFVEAXXLQG-KRWDZBQOSA-N 430.810 4.165 5 20 IIBD CCOC(=O)c1csc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)n1 600844250 MGWLJZZGWPLQJB-UHFFFAOYSA-N 426.454 4.092 5 20 IIBD NS(=O)(=O)c1ccc(N[C@@H](c2ccc(F)cc2)c2ccccc2Cl)cc1[N+](=O)[O-] 600847956 FBHXXYKSLGRNMP-IBGZPJMESA-N 435.864 4.236 5 20 IIBD Cc1cc(C)c(-c2csc(NC(=O)[C@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)n2)c(C)c1 603450284 HNFZSJZJSZCMFG-HNNXBMFYSA-N 438.509 4.401 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccs2)cccc1[N+](=O)[O-] 603721875 RZZFALOGZUGQLQ-SFHVURJKSA-N 429.885 4.462 5 20 IIBD COc1cc(CCNC(=O)[C@H](C)Oc2ccc(C(C)C)c(C)c2)c([N+](=O)[O-])cc1OC 603752898 WCAPAZHYGMMDNQ-INIZCTEOSA-N 430.501 4.170 5 20 IIBD COc1ccc(CNC(=O)NCc2ccc(Oc3cc(C)ccc3C)nc2)cc1[N+](=O)[O-] 604105038 KPNOFMAMEMKBDB-UHFFFAOYSA-N 436.468 4.407 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 604470583 RLSJGZJBJLQBQD-NOZRDPDXSA-N 443.503 4.391 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)cc1[N+](=O)[O-] 604480917 AACDFSIFHZXZJK-IBGZPJMESA-N 442.497 4.203 5 20 IIBD C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)C(C)(C)c1ccccc1 609063349 AWPZDVXWLWFCFP-GFCCVEGCSA-N 438.265 4.296 5 20 IIBD O=C(CCN1CCCCC1)Nc1cccc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c1 609426661 BUQUWKRMUZJGTL-UHFFFAOYSA-N 449.511 4.003 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 609443067 GOQHPIIWRPDJQD-ZDUSSCGKSA-N 430.823 4.457 5 20 IIBD CCCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)[C@H](c1cccnc1)c1ccc(F)cc1F 609522466 NXPNHEBVECWEEN-JOCHJYFZSA-N 443.454 4.191 5 20 IIBD O=C(CNC(=O)c1ccc(F)cc1F)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609771452 FWEYENFFQSDKEI-UHFFFAOYSA-N 427.363 4.034 5 20 IIBD COc1cc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cc(OC)c1 609852571 NTHVIJWAHRFWET-UHFFFAOYSA-N 437.239 4.357 5 20 IIBD O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 609853428 RHDAFRRWSQQKJH-UHFFFAOYSA-N 449.216 4.278 5 20 IIBD CCOc1cc(CCCNC(=O)c2ccc([N+](=O)[O-])cc2Br)ccc1OC 610046075 XBFXLUVBEPBXIL-UHFFFAOYSA-N 437.290 4.127 5 20 IIBD C[C@H](N=c1c([N+](=O)[O-])c[nH]c2ccc(Br)cc12)c1ccc2nc(O)[nH]c2c1 610515010 UMJRPCCUOMRURP-VIFPVBQESA-N 428.246 4.082 5 20 IIBD CC[C@H](C)n1ncc2c(C(=O)OCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])cc(C)nc21 725955348 KNBDYSZLNMMKCJ-LBPRGKRZSA-N 445.863 4.068 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 727837326 QMCOUSQBALVNQE-UHFFFAOYSA-N 437.367 4.088 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)[C@]12CCC(=O)N1c1ccccc1S2 729117222 HWVJYJLKTUAQHR-OAQYLSRUSA-N 428.466 4.054 5 20 IIBD O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1cc(-c2ccccc2Cl)on1 729193803 RJUYZFZNBWMTTR-UHFFFAOYSA-N 442.859 4.372 5 20 IIBD O=C(Nc1cccc(OC(F)F)c1)c1ccc(I)c([N+](=O)[O-])c1 730477152 JDTXEJQIRCNQQS-UHFFFAOYSA-N 434.136 4.053 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc23)c([N+](=O)[O-])c1 730877906 RPBVFVFJHRJUNR-VHKYSDTDSA-N 434.448 4.431 5 20 IIBD CCc1nc([C@H]2NC(=O)N(CC3CC3)C(C)=C2C(=O)Nc2ccc([N+](=O)[O-])cc2)cs1 731430261 NHLBXAXUIHPRMY-LJQANCHMSA-N 441.513 4.003 5 20 IIBD O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(OCc2cccs2)c1 731512481 WRDDSNPQPJZPKE-FQEVSTJZSA-N 438.461 4.198 5 20 IIBD Cc1c(C(=O)Oc2ccc(NC(=O)C3CCCCC3)cc2)nnn1-c1cccc([N+](=O)[O-])c1 731999195 FLJFAMDMXDOBEV-UHFFFAOYSA-N 449.467 4.222 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1SC 735443795 UORUGYGAGQAVOZ-UHFFFAOYSA-N 445.409 4.246 5 20 IIBD CC(C)(C)OC(=O)NCc1nc(C(=O)OCc2ccc(Cl)c([N+](=O)[O-])c2)cs1 735900541 HCIXPIVSCMAYPG-UHFFFAOYSA-N 427.866 4.086 5 20 IIBD O=C(OCC(=O)c1ccccc1F)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 736862137 BXSWTXMGRIEPMG-UHFFFAOYSA-N 438.198 4.266 5 20 IIBD COc1cc(N2CCC(OC(=O)c3ccc4nc(C(F)F)[nH]c4c3)CC2)ccc1[N+](=O)[O-] 739380314 MDMLHMVUMLSKEG-UHFFFAOYSA-N 446.410 4.243 5 20 IIBD C[C@H](Nc1ccc(O[C@@H]2CCOC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 739999360 KQOOBOFQXXZRJZ-BLLLJJGKSA-N 439.390 4.220 5 20 IIBD CC(C)(C)OC(=O)N[C@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 740814124 IUTVUJZASYSZCQ-SFHVURJKSA-N 448.907 4.042 5 20 IIBD C[C@@H](OC(=O)c1cc(Br)cs1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 743042534 MWYCMZDHIKJTOY-SSDOTTSWSA-N 433.667 4.256 5 20 IIBD C[C@H](OC(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)c1ccccc1[N+](=O)[O-] 744066812 WUOAIXDYSBAPJE-RDJZCZTQSA-N 443.525 4.151 5 20 IIBD CCOc1cc(N2CCC(OC(=O)CSc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] 744204091 PIYPXTLJLCRLLG-UHFFFAOYSA-N 434.489 4.437 5 20 IIBD C[C@@H]([C@@H](OC(=O)CC1CCC1)c1ccccc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 744351065 JBWWMIYDGVFSOV-KSFYIVLOSA-N 446.525 4.079 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C(=O)N1CCC[C@H]1c1cccs1 744562669 PRZVGXCSPOQUJL-BEFAXECRSA-N 443.525 4.166 5 20 IIBD Cc1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1N1CCOC1=O 746348075 ABNSJWLPFMRTER-UHFFFAOYSA-N 439.346 4.053 5 20 IIBD C[C@H](NC(=O)COC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1Cl 747955765 MDKCQCNIHOWIIW-LBPRGKRZSA-N 445.884 4.406 5 20 IIBD CCN(Cc1ccc2c(c1)OCCO2)C(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1 748126884 FMHNDKJLBKXROW-UHFFFAOYSA-N 445.522 4.117 5 20 IIBD Cc1c(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748623029 ISGDLRYNJPTKOK-CYBMUJFWSA-N 440.456 4.387 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Oc1ccc2c(C(F)(F)F)cc(=O)oc2c1 748647152 LEYUIMHNAVLFIB-UHFFFAOYSA-N 443.355 4.105 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)O[C@@H](c1ccccc1)c1nc(-c2ccccc2)no1 749051784 AQVPBXDPIRPSKO-NRFANRHFSA-N 431.404 4.356 5 20 IIBD O=Cc1cc(-c2ccccc2)ccc1OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 749455790 FIWSNINHTNZCES-UHFFFAOYSA-N 448.431 4.253 5 20 IIBD Cc1cc(F)cc(C(=O)OCc2nc(-c3cccc(Br)c3)no2)c1[N+](=O)[O-] 752553950 OBUPCUMHAMDULZ-UHFFFAOYSA-N 436.193 4.212 5 20 IIBD CC(C)(C)OC(=O)NCCOc1ccc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)cc1 752827434 URFQLORDCQGZIA-UHFFFAOYSA-N 437.399 4.029 5 20 IIBD Cc1ccc(Cn2cccc(NC(=O)NCc3cc([N+](=O)[O-])ccc3Cl)c2=O)cc1 754468048 OFXPLIKNHNWJFE-UHFFFAOYSA-N 426.860 4.088 5 20 IIBD CC[C@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1ccc(Cl)cc1 754980187 FELYSASFONNSFH-HNNXBMFYSA-N 429.231 4.465 5 20 IIBD COc1c(S(=O)(=O)N[C@@H](C)c2ccc(C)s2)cc(Br)c(C)c1[N+](=O)[O-] 755071939 IOGVBJIGTXEPLU-JTQLQIEISA-N 449.348 4.084 5 20 IIBD CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2ccc(C(F)(F)F)s2)NC(=S)N1 758054024 GCPWNQNWBSTPGS-AWEZNQCLSA-N 442.444 4.107 5 20 IIBD COC1CCC(CC(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 758606307 BFMZYFPFIRCTMO-DCBWTQNWSA-N 432.395 4.079 5 20 IIBD Cc1ncc(-c2ccc(NS(=O)(=O)c3ccc(Br)c([N+](=O)[O-])c3)cc2)o1 760339656 UQJDBPJCRNGLCS-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760472670 VHTZTOFZAYQEEC-NRFANRHFSA-N 433.420 4.257 5 20 IIBD COc1cc(-c2noc(CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)ccc1OC(C)C 761382331 PPVPBABDUBQMPC-UHFFFAOYSA-N 428.401 4.134 5 20 IIBD CN1CC[C@H](CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)[C@H]1c1ccc(Cl)c(F)c1 762575727 ZDWBQIQYRQRYMW-JLTOFOAXSA-N 448.882 4.449 5 20 IIBD Cc1onc(-c2ccccc2Cl)c1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 763032925 ZWIWYFBSAACWIR-UHFFFAOYSA-N 430.800 4.435 5 20 IIBD CCc1ccc(NC(=O)c2nnc(COC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)s2)cc1 763420401 NVPWWHVUOCORFF-ZDUSSCGKSA-N 440.481 4.108 5 20 IIBD C[C@H](C(=O)OC[C@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1cccc([N+](=O)[O-])c1 764073935 RXUWQUHXOBZMBP-KBPBESRZSA-N 447.285 4.057 5 20 IIBD C[C@H](OC(=O)CCc1cncc2ccccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 765576524 FTOVFFCSNLTKAL-ZDUSSCGKSA-N 427.844 4.299 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1ccc(CN2CCCC2)cc1 765868967 JNISYGVUEDNONF-UHFFFAOYSA-N 449.511 4.291 5 20 IIBD COc1cc(COC(=O)c2ccccc2OCc2c(C)noc2C)c([N+](=O)[O-])cc1F 766159485 KCKVYYBOZIRYIC-UHFFFAOYSA-N 430.388 4.283 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(Oc3nccs3)cc2)c2ncccc12 766514130 PEDOLOJJRVWKLB-UHFFFAOYSA-N 429.435 4.160 5 20 IIBD COc1ccccc1Cc1nnc(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)o1 768353587 ZLLZPHLKFWCXOR-NSHDSACASA-N 448.888 4.350 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 768544638 PSPCZPGIIXNAQL-UZLBHIALSA-N 443.548 4.263 5 20 IIBD CC(=O)[C@H](Cc1ccc(F)c(F)c1F)OC(=O)c1ccc([N+](=O)[O-])cc1Br 768716368 AVSQHUFLZXCIIF-AWEZNQCLSA-N 446.175 4.132 5 20 IIBD Cn1c(COC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nnc1-c1ccc(Cl)cc1 770403442 IUOHLJNLUYRTRQ-UHFFFAOYSA-N 440.765 4.420 5 20 IIBD CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 773596012 AXDJUXINPWOKAP-SECBINFHSA-N 427.276 4.165 5 20 IIBD O=C(OCC1CCN(c2cnccn2)CC1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 774550462 NQCPHOYROOVINI-UHFFFAOYSA-N 447.495 4.070 5 20 IIBD Cc1oc(-c2ccccc2)nc1CC(=O)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 778798991 IVWUBXMRTNYKAS-KRWDZBQOSA-N 425.416 4.062 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 779164548 XRESHMSSYFVKLL-OLZOCXBDSA-N 428.327 4.092 5 20 IIBD O=Cc1ccc(OCC(=O)NC2(c3ccc(C(F)(F)F)cc3)CCCC2)c([N+](=O)[O-])c1 781025997 CKWVTZINIFHTKV-UHFFFAOYSA-N 436.386 4.391 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(OCc2ccccc2)cc1 781698389 SMNSWKYUCJUXDO-UHFFFAOYSA-N 447.491 4.287 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cc(Cl)ccc1Br 781735300 DWUNTUNXRXENGD-UHFFFAOYSA-N 428.626 4.490 5 20 IIBD O=C(Nc1cccc(CC[C@H](O)c2ccccc2)c1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 782005507 AYUAKPFKBBECJN-ZEQRLZLVSA-N 445.475 4.393 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCC(CCc2ccc(O)cc2)CC1 782010302 AUJQLBYBKSWVAE-UHFFFAOYSA-N 427.457 4.013 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 784378038 HVEUTMDBIBJUSN-FQEVSTJZSA-N 440.928 4.085 5 20 IIBD C[C@@H]1[C@H](C(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C 786458522 AZBVBFVKMGOAMB-MDYRTPRTSA-N 441.484 4.268 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)Cc1cccc(Cl)c1Cl 789244433 AFOIZIJZPROSGW-SNVBAGLBSA-N 427.240 4.023 5 20 IIBD COc1cccc([C@@H](C)CCCC(=O)NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 789391069 XPNUWCNQLDXYTK-ZDUSSCGKSA-N 440.905 4.036 5 20 IIBD Cc1cnc(COC(=O)CSc2nnc(-c3cccs3)n2C2CC2)c(C)c1[N+](=O)[O-] 789440193 ISGJEBXTCORMIU-UHFFFAOYSA-N 445.526 4.097 5 20 IIBD C[C@H]1C[C@@H]1c1ccc(CNC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)o1 790674344 RYICKVONBBJCPY-FZMZJTMJSA-N 434.290 4.342 5 20 IIBD O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)N1CCC[C@@H]1c1ccc(F)cc1 795777045 MGBAKYMVOMHBRY-CQSZACIVSA-N 447.257 4.161 5 20 IIBD C[C@H](NC(=O)COC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 796440043 SARZVQCRUHRWTQ-ZDUSSCGKSA-N 449.301 4.056 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)OCCCc2nccn2C)cc1[N+](=O)[O-] 802785778 FYJJADASRYBZTC-UHFFFAOYSA-N 439.493 4.071 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCC1(c2ccc(Br)s2)CCC1 803386707 OHANQEOYBQYORW-UHFFFAOYSA-N 443.294 4.175 5 20 IIBD Cc1c(COC(=O)[C@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] 805649212 OKYOAKTUBSVWAH-SFHVURJKSA-N 432.395 4.136 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(CNC(=O)OC(C)(C)C)c1 806266627 CWWXIGPEDHUSIF-UHFFFAOYSA-N 428.489 4.326 5 20 IIBD CCN(C)C(=O)CSc1ccc([C@@H](C)OC(=O)c2cccc(OC)c2[N+](=O)[O-])cc1 809075752 KDNOXSKXENJXIJ-CQSZACIVSA-N 432.498 4.092 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(-c4ccc5nc(C(F)(F)F)cn5c4)n3)c2c1 809434403 XWCXHVHBDUWDMX-UHFFFAOYSA-N 428.330 4.383 5 20 IIBD CN(C[C@@H]1C[C@H](F)CN1C(=O)Nc1cccc([N+](=O)[O-])c1Cl)C(=O)OC(C)(C)C 809914697 MWSXKTUYKSVCOC-RYUDHWBXSA-N 430.864 4.059 5 20 IIBD CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1C 811375371 YFJDSHACGUTPCJ-SNVBAGLBSA-N 427.240 4.477 5 20 IIBD C[C@@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(Br)c1 812609428 IJLFNFMERWGXHG-SNVBAGLBSA-N 441.665 4.296 5 20 IIBD O=C(O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)c1csc(Cc2ccccc2F)n1 813171716 RVSAAGPYUSSCQE-SFHVURJKSA-N 441.484 4.213 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCN(C(=O)NCc3ccccc3[N+](=O)[O-])C2)C1 814361706 BCPJUVNEKTYZSG-RBUKOAKNSA-N 446.548 4.164 5 20 IIBD CCc1cccc(CC)c1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F 814484211 VMKJFTSQXCMCLM-ZDUSSCGKSA-N 431.464 4.109 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N1CCC2(CC1)OCCCO2 815156357 CJCKBPSAZUUXMI-HXUWFJFHSA-N 445.903 4.157 5 20 IIBD COc1cccc(Cc2cnc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)s2)c1 818082510 MQPWWKAYQDEPCA-UHFFFAOYSA-N 428.426 4.120 5 20 IIBD CC(C)[C@@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1F 876754987 WIQRIGWUAVPQBS-MRXNPFEDSA-N 439.237 4.317 5 20 IIBD COc1ccc(CSCC(=O)OCc2nc(-c3cccc(Cl)c3)no2)cc1[N+](=O)[O-] 914800695 MBHBQVKWMWUTEQ-UHFFFAOYSA-N 449.872 4.283 5 20 IIBD COC(=O)c1cc(C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)cc([N+](=O)[O-])c1 915152575 TXYZHABLMQKZIH-UHFFFAOYSA-N 433.392 4.120 5 20 IIBD COc1cccc(OC)c1Oc1ccc(CNC(=S)Nc2ccc([N+](=O)[O-])cc2)cn1 917582686 HHWIIZUJOYFZPF-UHFFFAOYSA-N 440.481 4.286 5 20 IIBD O=[N+]([O-])c1ccc(Nc2ccccc2)c(NS(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])c1 917723394 DRGCGBAJLZVZJC-UHFFFAOYSA-N 432.389 4.187 5 20 IIBD Cc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])c1 917725659 RTURBPDRBNMJTJ-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD CCOC(=O)C1=C(c2ccc([N+](=O)[O-])cc2)N(CC2CC2)C(=O)N[C@H]1c1ccsc1 918076903 UWCCYJCSLITCSK-SFHVURJKSA-N 427.482 4.107 5 20 IIBD CCn1c(C)cc(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)c1C 918634482 SBPNEOVENVQEQR-LJQANCHMSA-N 427.501 4.275 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)c1ccc(OC(F)F)cc1)c1cccc([N+](=O)[O-])c1 918638984 XZLKTGSTPBUJKG-KRWDZBQOSA-N 448.422 4.438 5 20 IIBD CCN(C(=O)COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H](C)c1ccc(F)cc1 918865011 NMFMODYCVDRXQW-INIZCTEOSA-N 443.475 4.101 5 20 IIBD Cc1c(COC(=O)c2ccccc2-n2ncc(Cl)c(Cl)c2=O)cccc1[N+](=O)[O-] 919019040 OGKFYMGDFJDQKJ-UHFFFAOYSA-N 434.235 4.113 5 20 IIBD O=C(COC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 919369440 KADHNUVAPRZNMZ-ZJUUUORDSA-N 442.312 4.464 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 921153630 JTAFWKLBZSHQMN-AWEZNQCLSA-N 440.456 4.387 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Oc1cc(C(C)C)ccc1C 929062152 UQSVDOSRJFOXMO-LJQANCHMSA-N 430.526 4.484 5 20 IIBD COc1cc(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc(OC)c1OCc1ccccc1 1116164536 QLGQVLVRJNEJGB-UHFFFAOYSA-N 434.448 4.347 5 20 IIBD COCCn1cc(NC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)ccc1=O 1318017335 NFFGMWIEYPDRSZ-UHFFFAOYSA-N 439.493 4.115 5 20 IIBD Cc1cc(C)cc(OCc2nnc([C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)o2)c1 1322689424 YVQWPQOOOBMMQE-OAHLLOKOSA-N 428.470 4.212 5 20 IIBD CC(C)(C)OC(=O)NCCCc1nnc(-c2cc(F)cc([N+](=O)[O-])c2Br)o1 1322977512 GOVLYLDKAJIUFJ-UHFFFAOYSA-N 445.245 4.004 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccnc(Cc4ccccc4)n3)cc2)c(C)c1[N+](=O)[O-] 1324822092 KMFXBTBHXOGPAS-UHFFFAOYSA-N 442.479 4.090 5 20 IIBD CC(F)(F)C(=O)NC1(c2ccc(NC(=O)Cc3cc([N+](=O)[O-])ccc3F)cc2)CCC1 1786671224 VANBYXVAEQRCMT-UHFFFAOYSA-N 435.402 4.066 5 20 IIBD O=C(CSC1CCCC1)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1 1790184599 XLPHEWZOTAOCSW-UHFFFAOYSA-N 442.541 4.346 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC3(F)F)CCC2)cc1 1790771112 QSIQCDDLLJYPPI-HNNXBMFYSA-N 447.413 4.445 5 20 IIBD CC1(C(=O)NC2(c3ccc(NC(=O)Cc4cc(F)ccc4[N+](=O)[O-])cc3)CCC2)CC1 1792310790 ONSMFTKQXFTKDU-UHFFFAOYSA-N 425.460 4.211 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCC2(CCCN(C(=O)/C=C/c3ccccc3)C2)CC1 1809299979 XIDVACTVHIIXHF-AMMQDNIMSA-N 449.507 4.146 5 20 IIBD Cc1c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C(C)C)[nH]n2)cc(Cl)cc1[N+](=O)[O-] 1821291184 QRYPBZDUDBOROD-MRXNPFEDSA-N 433.896 4.242 5 20 IIBD Cc1ccc(Cl)c(OCC(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 9446874 VZOPRRYGBCGPBM-NSHDSACASA-N 427.240 4.159 5 20 IIBD CSc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1[N+](=O)[O-] 9904034 JYAFEMDCPJPONX-UHFFFAOYSA-N 443.506 4.370 5 20 IIBD C[C@@H]([C@@H](OC(=O)C1CCCC1)c1ccccc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 16006701 FZGNOHHKWHJTNW-HRAATJIYSA-N 446.525 4.079 5 20 IIBD CC1CCN(c2ccc(C(=O)N(C)[C@H](C)c3ccc(-n4cncn4)cc3)cc2[N+](=O)[O-])CC1 20016443 GNGHRZYLJLQLSN-GOSISDBHSA-N 448.527 4.245 5 20 IIBD COc1ccc(OCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c([N+](=O)[O-])c1 21745357 IBOPNSHMPPGWMU-MRXNPFEDSA-N 449.463 4.112 5 20 IIBD COc1ccc(C(=O)COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1Cl 29073642 HNWFEOGOEMGTJO-UHFFFAOYSA-N 435.863 4.243 5 20 IIBD CCOc1ccc(NC(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)c([N+](=O)[O-])c1 36619977 LNJOXVPPHNIAEA-UHFFFAOYSA-N 438.411 4.381 5 20 IIBD CC1CCN(CCCNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 108773252 BIQBARDEOPWGDI-SFHVURJKSA-N 425.533 4.015 5 20 IIBD CCN(CC(=O)Nc1c(Cl)cccc1Cl)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] 115357299 WCOMVYAVWBFKQP-UHFFFAOYSA-N 439.299 4.109 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 195662118 FSXSVAMGXMUYLC-QGZVFWFLSA-N 439.468 4.326 5 20 IIBD COc1cc(/C=C(/Cl)c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc([N+](=O)[O-])c1O 229910493 PEYGCPJIHSHMEL-IZZDOVSWSA-N 433.873 4.223 5 20 IIBD COc1ccccc1CC(=O)N1CCC(NCc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 237124680 OOIMVSQUNCXSLF-UHFFFAOYSA-N 425.529 4.050 5 20 IIBD C[C@@H](NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C(=O)NCc1ccco1 237407043 ARAPPGSNLLILIS-CQSZACIVSA-N 429.860 4.428 5 20 IIBD COc1cc(CN[C@@H](C(=O)O)c2ccsc2)ccc1OCc1ccc([N+](=O)[O-])cc1 426783173 JRKJJLSTRZHZCX-HXUWFJFHSA-N 428.466 4.159 5 20 IIBD COC(=O)CCCN(Cc1ccccc1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 427570093 RXAWYTFCQHKZMQ-UHFFFAOYSA-N 442.515 4.137 5 20 IIBD O=C(Nc1cc(Cl)ccc1O)C1CCN(c2ccnc3c([N+](=O)[O-])cccc23)CC1 432326761 QDEIJTNQJPTHND-UHFFFAOYSA-N 426.860 4.357 5 20 IIBD Cc1csc(Sc2ccc(-c3nc(-c4cnc(N(C)C)cn4)no3)cc2[N+](=O)[O-])n1 432533871 HVZPWWUQFMFONX-UHFFFAOYSA-N 441.498 4.084 5 20 IIBD CN(Cc1ccccc1NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 433658619 CJIAUEPIFILGTE-UHFFFAOYSA-N 434.500 4.297 5 20 IIBD COc1ccc(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1OC(F)F 436080962 GKLNTMBBCYCBFO-UHFFFAOYSA-N 442.393 4.360 5 20 IIBD CN1CCO[C@H]([C@@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 436387879 RPWQFFXQTQFKDI-RDJZCZTQSA-N 430.814 4.146 5 20 IIBD O=C(Nc1cccc(Br)c1)C1CCN(c2c([N+](=O)[O-])ccc3c2CCN3)CC1 436396956 YJPVREFZPJNKDD-UHFFFAOYSA-N 445.317 4.180 5 20 IIBD COc1ccc(CS(=O)(=O)Cc2cc(Br)ccc2Cl)cc1[N+](=O)[O-] 437249496 ILAJCKZIXHNXEG-UHFFFAOYSA-N 434.695 4.134 5 20 IIBD COc1cc(C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)cc([N+](=O)[O-])c1OC 437505856 GKHYAFKHRFGYNZ-UHFFFAOYSA-N 445.435 4.316 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N[C@H](C)[C@@H](O)Cc2ccccc2)c([N+](=O)[O-])c1 446874492 VZDGFZSEOFQWOL-MWTRTKDXSA-N 448.475 4.016 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CNc1ccc([N+](=O)[O-])cc1Br 461462060 XATULWDGQJHEEB-UHFFFAOYSA-N 443.095 4.479 5 20 IIBD C[C@H](c1c(F)cccc1F)N(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCOC1 461681118 CBMCACDLRWFDOR-CABCVRRESA-N 443.454 4.365 5 20 IIBD CCC[C@H](NC(=O)[C@H](CC)Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2sccc2C1 462482102 DQOBBXZQGORRLW-XLIONFOSSA-N 443.569 4.095 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCCCC(C)(C)CO)c([N+](=O)[O-])c2)c(C)c1 462852637 HDCUSSZWORWSCP-UHFFFAOYSA-N 435.546 4.223 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC(N2CCc3ccccc3C2)CC1 463514696 CSQRVAZWJSYHQO-UHFFFAOYSA-N 433.430 4.277 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCC(=O)Nc1ccc(Br)cc1 463945212 AHVPTDJKKZLBGH-UHFFFAOYSA-N 435.278 4.124 5 20 IIBD COc1cc(OCC(=O)Nc2cc(Br)cc(C(F)(F)F)c2)ccc1[N+](=O)[O-] 464171828 WUBRDGKFNUZTIG-UHFFFAOYSA-N 449.179 4.402 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)c2ncccc12 464183150 BEMVHMWUOXWHPL-CQSZACIVSA-N 443.378 4.254 5 20 IIBD CC[C@H](NC(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-])C(C)(C)c1ccccc1 465602994 STVAVOZQPHTKAK-NRFANRHFSA-N 429.517 4.210 5 20 IIBD O=C(N[C@@H](c1ccccc1)c1nccs1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465885986 FFFRJNBJHQLDNT-FQEVSTJZSA-N 438.509 4.394 5 20 IIBD COc1cc([C@@H](C)NC(=O)c2ccc(F)cc2[N+](=O)[O-])ccc1OCc1ccncc1 466312138 OEFQNJPMJCBTOP-CQSZACIVSA-N 425.416 4.208 5 20 IIBD Cc1sc(S(=O)(=O)N(Cc2cccc(Br)c2)C2CC2)cc1[N+](=O)[O-] 467399831 RCCNERXEKHLOIL-UHFFFAOYSA-N 431.333 4.081 5 20 IIBD C[C@H](NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 467863850 MKPAFVMJEUZBCY-ZDUSSCGKSA-N 441.347 4.260 5 20 IIBD Cc1c(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)nnn1Cc1ccc(C(F)(F)F)cc1 468766757 AQUDCFPTRDKTOY-LBPRGKRZSA-N 433.390 4.053 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 469158432 ZMIBDSZIQIODQA-ZDUSSCGKSA-N 442.686 4.224 5 20 IIBD Cn1cc(C(=O)N2CCC(Cc3ccc(F)c(F)c3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 470578198 GJZYAUIXFXNKFD-UHFFFAOYSA-N 440.450 4.368 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 479778035 PUKZLRYPGBNHAG-QGZVFWFLSA-N 445.273 4.266 5 20 IIBD CCn1c(Sc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])nnc1-c1cccc(C)c1 480416041 HNPFHHWLTBRDCO-UHFFFAOYSA-N 448.508 4.297 5 20 IIBD C[C@H](N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 481191543 QQBUSBHNXJVUJM-FTRWYGJKSA-N 430.936 4.075 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O 481365091 SBYMIDQYNPMFOA-CQSZACIVSA-N 436.390 4.157 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1SC 482434446 ISUHEQRGQAXPDC-LBPRGKRZSA-N 429.498 4.165 5 20 IIBD O=C(Nc1cccc(Oc2ccncc2)c1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 482734350 HTPFCBIVXZQKPE-QGZVFWFLSA-N 438.465 4.087 5 20 IIBD Cc1ccc(C(=O)NCCNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cc1 484188587 LHQGWQVCGJRZNR-UHFFFAOYSA-N 435.505 4.214 5 20 IIBD CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 485127718 MJIRWMWBVWPFFM-NRFANRHFSA-N 447.516 4.372 5 20 IIBD COCCCn1c(SCc2ccc([N+](=O)[O-])cc2OC)nc2cc(Cl)ccc2c1=O 485368759 USKOYNVXKMVZFW-UHFFFAOYSA-N 449.916 4.296 5 20 IIBD COC[C@H](C)n1ccc(N[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)n1 488339437 WYLLIAKZRLLZPF-VBKZILBWSA-N 443.891 4.444 5 20 IIBD CNC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)ccc1Cl 489386680 GFKPCOLISMYJOA-UHFFFAOYSA-N 438.871 4.472 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccccc1 489411845 QKGMMTPOULOPNP-UHFFFAOYSA-N 446.492 4.277 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn23)C1 493889546 WFXBZOFQMCDMLE-ZDUSSCGKSA-N 435.406 4.045 5 20 IIBD O=[N+]([O-])c1ccc([C@H]2SCCN2S(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1 497934358 SGOUKNUBXGIIRB-OAHLLOKOSA-N 436.408 4.189 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC1CCN(c2ccncc2)CC1 504539211 PMMMPKFNOJDSCX-UHFFFAOYSA-N 428.558 4.481 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2ccnc(Oc3ccccc3)c2)cc1[N+](=O)[O-] 509983370 QPZRYAVRHLGXGD-UHFFFAOYSA-N 448.464 4.314 5 20 IIBD COc1ccc(C2(CNC(=O)CCOc3ccccc3[N+](=O)[O-])CCCCC2)cc1OC 510588042 IMPHYEMGZKEYTR-UHFFFAOYSA-N 442.512 4.399 5 20 IIBD O=C(CN[C@H](c1cccc(OC(F)(F)F)c1)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 511557985 VRWMIGHZGGASDX-FQEVSTJZSA-N 435.402 4.123 5 20 IIBD COCCCn1c(Sc2ccc([N+](=O)[O-])cc2F)nnc1-c1ccc(OC)c(OC)c1 513119503 ZKYWDTNKQHFQAE-UHFFFAOYSA-N 448.476 4.197 5 20 IIBD Cc1c(NC(=O)[C@H](C)NCc2ccccc2CN2C[C@H](C)C[C@@H](C)C2)cccc1[N+](=O)[O-] 515758038 WDXYZHZFSMPBRZ-GGPKGHCWSA-N 438.572 4.498 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1c(C)c(C(C)(C)C)nn1-c1ccccc1 518602916 RZTGCQXQWLCOHC-UHFFFAOYSA-N 428.514 4.496 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N(C[C@H]2CCCO2)c2ccc(Br)cc2)c1 518652568 LWPIGKUIGBKEEX-MRXNPFEDSA-N 435.274 4.192 5 20 IIBD C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 520421084 BUVBAAOWLWNDMY-BFYDXBDKSA-N 442.482 4.279 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN(c2nc3ccccc3s2)CC1 521281822 ABHUUOZVWKLKNL-CQSZACIVSA-N 442.566 4.470 5 20 IIBD O=C(Nc1nnc(Cc2cccc(F)c2)s1)c1ccc([N+](=O)[O-])cc1Br 523501555 DFTHENOSMSFCNH-UHFFFAOYSA-N 437.250 4.191 5 20 IIBD CC(C)[C@H](NC(=O)COc1ccc(Br)cc1[N+](=O)[O-])c1ccc(F)cc1 525113617 WMXXGJDPWDAQKD-SFHVURJKSA-N 425.254 4.389 5 20 IIBD CN(C(=O)Cc1ccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1)c1ccccc1 536129086 MLSICYZVRGKLRN-UHFFFAOYSA-N 442.475 4.463 5 20 IIBD CN(CCOc1ccccc1F)C(=O)CSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 536303991 KYGSUOHEPYOVFO-UHFFFAOYSA-N 445.472 4.160 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@@H]1c1ccccc1 536473413 VLCNNJQMGUHLKN-MJGOQNOKSA-N 428.510 4.316 5 20 IIBD CNc1ccc(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)cc1[N+](=O)[O-] 536618347 DSZZZUCRFVEHRX-UHFFFAOYSA-N 429.864 4.391 5 20 IIBD Cc1nc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Br)cc2Cl)n[nH]1 538312884 FUDVVHVXQRDMMQ-UHFFFAOYSA-N 436.653 4.357 5 20 IIBD O=C(NCCOCc1ccc(Cl)cc1Cl)c1cc(O)nc2ccc([N+](=O)[O-])cc12 538487907 FBAUQLKKMJSURJ-UHFFFAOYSA-N 436.251 4.102 5 20 IIBD CC(C)C[C@H]1C[C@@H](NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CCO1 540766011 URQXIXYQNDSATN-JSGCOSHPSA-N 441.315 4.411 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N1CCC(CCCO)CC1 542090380 SFMYKKKDVKTTQK-UHFFFAOYSA-N 448.523 4.001 5 20 IIBD COc1cccc(-c2noc([C@@H](C)N[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)n2)c1 542611399 IZHHIQZHPABNSN-CHWSQXEVSA-N 436.428 4.115 5 20 IIBD COCC[C@H](N[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(C)o1 544473403 KNYJLMKFDQXRDX-PBHICJAKSA-N 444.513 4.314 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(Cc3nc4cccnc4[nH]3)no2)ccc1NCc1ccccc1 544927210 KANDZQRUFNJORV-UHFFFAOYSA-N 427.424 4.119 5 20 IIBD COc1cc(Cc2noc(-c3ccc(C(=O)Nc4ccccc4)cc3)n2)ccc1[N+](=O)[O-] 545051111 RBENLOHEOHAHQR-UHFFFAOYSA-N 430.420 4.497 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)cc1[N+](=O)[O-] 552929369 GVAGDNBQGWQWFT-IPMKNSEASA-N 449.536 4.283 5 20 IIBD CS(=O)(=O)c1ccc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(C(F)(F)F)c1 553072908 VSQIVFQGTLZQFM-UHFFFAOYSA-N 444.431 4.065 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1ncc(C2CC2)[nH]1 554628906 QEENNZWJZMOEEA-UHFFFAOYSA-N 428.452 4.229 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 557183295 AVUUESBAGUZEJJ-UHFFFAOYSA-N 443.569 4.500 5 20 IIBD O=C(Nc1ccccc1)NC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 559157632 FOQYFOYMRDJERX-UHFFFAOYSA-N 436.390 4.040 5 20 IIBD CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[C@H]2C1 565269204 HEMLLQBRVRPGGK-WQTXXOFMSA-N 438.484 4.156 5 20 IIBD CCCc1c(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cnn1-c1cccc(C)c1 568451772 PQPRLBNYNNIYPT-UHFFFAOYSA-N 435.484 4.468 5 20 IIBD Cc1c(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)cnn1-c1ccc(F)cc1F 569047209 SIDWFPOEQLMZAD-UHFFFAOYSA-N 436.378 4.489 5 20 IIBD CCOc1c(Cl)cc(-c2noc(-c3cc(C(=O)OC)cc([N+](=O)[O-])c3)n2)cc1OC 569864854 SOTNOYBXDQWNBL-UHFFFAOYSA-N 433.804 4.159 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC[C@H]1c1cccc(Br)c1 581637237 LVAVVIJBGSRHPT-INIZCTEOSA-N 425.304 4.024 5 20 IIBD COc1cc(OC)c(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)c(OC)c1 591564408 FEAQOKFKSGNBFL-UHFFFAOYSA-N 434.876 4.294 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)c1C 603956689 IDOOFTCIOZBOLJ-QGZVFWFLSA-N 441.509 4.225 5 20 IIBD COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 603961503 YXRTWAUMLFQXJT-SNVBAGLBSA-N 426.397 4.102 5 20 IIBD CN(C(=O)c1ccc([N+](=O)[O-])cc1I)[C@H]1CCCc2ccccc21 604565790 YWIJIEGZOAIHJO-KRWDZBQOSA-N 436.249 4.349 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@H]1c1cccc2c1OCCO2 608994155 HRANRYAEVLEMTQ-HNNXBMFYSA-N 435.383 4.336 5 20 IIBD COc1ccc(CC(=O)N2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)cc1[N+](=O)[O-] 609016301 OQNJWIGGSLINCK-UHFFFAOYSA-N 438.524 4.466 5 20 IIBD CCOc1ccc(Br)cc1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 609069022 BBGHNQNXRDFMHX-UHFFFAOYSA-N 435.683 4.210 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)cc1SC 609192595 TWKXHHGBLRZEAQ-UHFFFAOYSA-N 429.542 4.062 5 20 IIBD Cc1nc(-c2ccc(CCNC(=O)c3cc(O)nc4ccc([N+](=O)[O-])cc34)cc2)cs1 609490088 PXSFPOZULSOTFC-UHFFFAOYSA-N 434.477 4.253 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)CSCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cc1C 609770798 PHVZKVHTDCLNRC-MRXNPFEDSA-N 443.525 4.120 5 20 IIBD Cc1ccc(NCCCNC(=O)NCc2c(C)nn(-c3ccccc3)c2C)c([N+](=O)[O-])c1 610099905 ZXQBEXQLQXDEJD-UHFFFAOYSA-N 436.516 4.007 5 20 IIBD C[C@H](c1cccc(O)c1)N(C)c1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] 610431906 XDUTZSPKFCDOAF-MRXNPFEDSA-N 433.530 4.063 5 20 IIBD CC(C)(C)OC(=O)c1ccccc1C1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 615296081 NOUMRSQVTPMCDW-UHFFFAOYSA-N 425.485 4.152 5 20 IIBD CCOc1cc(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)c([N+](=O)[O-])cc1OCC 619213113 QKJCPIMXVZQRDW-UHFFFAOYSA-N 436.848 4.459 5 20 IIBD Cn1c([C@H]2CCCN2C(=O)Cn2c3ccccc3c(=O)c3ccccc32)nc2ccccc21 620862009 CBKYXVOUCNSXGZ-XMMPIXPASA-N 436.515 4.405 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Oc2cccc(-c3nc(C)cs3)c2)cc1OC 726367810 LVQCCRVKHWNDBQ-UHFFFAOYSA-N 444.465 4.280 5 20 IIBD Cc1nc([N+](=O)[O-])c(Br)n1CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 726430840 ASJDAVWZTPSNSC-MRXNPFEDSA-N 439.285 4.049 5 20 IIBD COc1ccc(C(=O)OC[C@@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])c2ccccc12 730705189 UVBTVEIKUOFMCG-INIZCTEOSA-N 434.448 4.218 5 20 IIBD C[C@H](OC(=O)CO[C@H]1CCCC[C@H]1C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 733572416 XEUBUSUHBHUQAD-GLJUWKHASA-N 447.513 4.184 5 20 IIBD Cc1ccn2cc(-c3ccc(NS(=O)(=O)c4cccc(F)c4[N+](=O)[O-])cc3)nc2c1 734975750 CBKRFAJJPGWJJX-UHFFFAOYSA-N 426.429 4.158 5 20 IIBD O=C(OCc1c(F)cccc1[N+](=O)[O-])c1nn(-c2ccc(F)cc2)cc1Br 735544358 HHGFGLWLTBNQJB-UHFFFAOYSA-N 438.184 4.178 5 20 IIBD Cc1cc2oc(=O)cc(COC(=O)c3ccc([N+](=O)[O-])cc3Br)c2cc1C 740423770 WEXXNHIBLSNBLB-UHFFFAOYSA-N 432.226 4.438 5 20 IIBD CCCCc1ccc(NC(=S)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 740627109 CEFFODRCWRJNNO-UHFFFAOYSA-N 426.542 4.092 5 20 IIBD Cc1c(C(=O)N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)sc2ccccc12 741200727 PRGWPTLTPUFIJX-UHFFFAOYSA-N 443.912 4.370 5 20 IIBD Cc1nn(CCC(=O)Nc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)c(C)c1[N+](=O)[O-] 742887786 QLVZRVAIIVOWDW-CYBMUJFWSA-N 431.493 4.023 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3cc(-c4ccc(C)o4)[nH]n3)CC2)ccc1[N+](=O)[O-] 744204034 NLBLIYSYUNRLCU-UHFFFAOYSA-N 440.456 4.111 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCCc1ccc(C(F)(F)F)cc1 744213852 CZGNCTOXNDFISO-UHFFFAOYSA-N 438.358 4.088 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)OCc1cc(Cl)ccc1[N+](=O)[O-] 746059022 JYQIZZDMJWIVAG-QGZVFWFLSA-N 436.917 4.152 5 20 IIBD C[C@@H](c1ccc(F)cc1)N(C)C(=O)COC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 747957227 LTUUMLCYGANMLJ-ZDUSSCGKSA-N 443.456 4.234 5 20 IIBD CC(C)[C@@H](OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)C(=O)NC1CCCCC1 751691004 GSLIJLBKSQGWNL-MRXNPFEDSA-N 445.285 4.127 5 20 IIBD Cc1cc(C)cc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])c(Br)cc2F)c1 751691489 IQRCDKUXANCDBX-LLVKDONJSA-N 439.237 4.297 5 20 IIBD CCN(CC)CCN(CCC(F)(F)F)C(=O)c1cc([N+](=O)[O-])ccc1Br 752487609 UMUGLSRUPPIWHR-UHFFFAOYSA-N 440.260 4.094 5 20 IIBD COc1ccc(COC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])c(Br)c1OC 752552197 AFSCXCPCTOMVLQ-UHFFFAOYSA-N 428.210 4.179 5 20 IIBD COc1cc(C(=O)O[C@@H](C)c2nnc(-c3cccc(C)c3)o2)c([N+](=O)[O-])cc1OC(F)F 753373670 LHRAVXUBEWJWTO-NSHDSACASA-N 449.366 4.481 5 20 IIBD CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1C(C)C 753495845 XCIMBWMJUMQPFV-LBPRGKRZSA-N 435.864 4.395 5 20 IIBD CCc1ccc([C@@H](Nc2ccc(OC)c(-n3nnnc3C)c2)c2ccc([N+](=O)[O-])cc2)o1 753727592 RUJHODASOYBHCZ-QFIPXVFZSA-N 434.456 4.244 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)c1cccc(OC(F)(F)F)c1 754020526 YVBYLSNVWMNEIN-RYUDHWBXSA-N 427.379 4.180 5 20 IIBD Cc1c([N+](=O)[O-])cnc(Nc2ccc(N3CCC(N(C)C)CC3)cc2)c1Br 754058114 LKAMLZQTDJDPER-UHFFFAOYSA-N 434.338 4.335 5 20 IIBD O=[N+]([O-])c1cc(CN[C@H](CO)C[C@@H](O)c2ccccc2)ccc1Oc1ccc(F)cc1 754084255 WGTUJHAXYJGNHZ-SIKLNZKXSA-N 426.444 4.100 5 20 IIBD CN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 754708322 CBQRCTZBTZWMKB-CRAIPNDOSA-N 437.265 4.489 5 20 IIBD CCOc1ccc([C@H]2CCCN2C(=O)COC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 755059768 DQHMFKJMOFNLOO-YCRPNKLZSA-N 444.459 4.143 5 20 IIBD Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCc1cc([N+](=O)[O-])ccc1Cl 756997690 SFTYNDHIVVNOMX-UHFFFAOYSA-N 437.887 4.310 5 20 IIBD COc1ccc(-c2nsc(NC(=O)c3cccc([N+](=O)[O-])c3Br)n2)cc1 758283370 PFLGPPFFKYFYGH-UHFFFAOYSA-N 435.259 4.137 5 20 IIBD Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F 759803350 JCWRJDHNYWREBE-OAHLLOKOSA-N 444.916 4.074 5 20 IIBD Cc1sc2ncnc(SCC(=O)O[C@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)c2c1C 759937339 WUNFUXMENQEEEE-KGLIPLIRSA-N 447.542 4.232 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H](c2noc(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)C1 761878528 IYCWVOCRHOFWMX-INIZCTEOSA-N 443.504 4.360 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1 761959466 OACADPSFYAIEDD-UHFFFAOYSA-N 431.832 4.373 5 20 IIBD O=C1O[C@@H](c2ccccc2)Cc2cc(-c3nc(Cc4ccc([N+](=O)[O-])cn4)no3)ccc21 762325763 PVUJYNGXAFURPC-HXUWFJFHSA-N 428.404 4.085 5 20 IIBD CN(Cc1c(F)cccc1Cl)C(=O)COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F 762991691 VGBNZYISGFOCFO-UHFFFAOYSA-N 440.830 4.006 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1ccc(NC(C)=O)c(SC)c1 763815992 ZELLGWJCAHMUFF-UHFFFAOYSA-N 448.522 4.427 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 764251916 AUIYBIMGOFXCSS-UHFFFAOYSA-N 442.269 4.108 5 20 IIBD C[C@H](OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1nc2ccc(Cl)cc2n1C 764279469 PJGPAEFXKWYPFT-LBPRGKRZSA-N 425.832 4.239 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N(CCNC(=O)OC(C)(C)C)Cc1ccccc1 767033232 BNHPRBNJAHXDSL-UHFFFAOYSA-N 444.488 4.162 5 20 IIBD CCSCCN(c1ccccc1OC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 768944915 OSPKDJRSVXGSPA-UHFFFAOYSA-N 430.935 4.205 5 20 IIBD C[C@@H](OC(=O)C[C@@H](C)c1ccncc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 769066016 KZDLFNJMMBGBRS-VXGBXAGGSA-N 425.363 4.073 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(N2CCC(N(C)C)CC2)c(F)c1 769766726 YADYRJVRTGWCGI-UHFFFAOYSA-N 428.508 4.442 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)OCc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1 769889334 QAHKSCICTVVAIY-UHFFFAOYSA-N 448.476 4.020 5 20 IIBD CC(=O)c1cc(Br)cc(Cl)c1OCC(=O)Nc1cc([N+](=O)[O-])ccc1F 770457851 WEGQLEKKHLIJQX-UHFFFAOYSA-N 445.628 4.370 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H]1C[C@@H](O)c1cccs1 771004474 IDDNEEIITKBSCK-DZGCQCFKSA-N 425.304 4.147 5 20 IIBD Cc1ccc(/C(O)=C(/C(=S)NC(C)(C)C)[n+]2c(C)ccc(O)c2Cl)cc1[N+](=O)[O-] 777513875 YCURZAPEFFYERN-UHFFFAOYSA-O 436.941 4.457 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])c2nsnc2c1)c1cccc(NC(=O)c2ccccc2)c1 777798879 FYYJIFQVQGJCIA-ZDUSSCGKSA-N 447.476 4.343 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 778264620 GAPGRMMPMUNXIN-GOSISDBHSA-N 443.504 4.067 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CC[C@@H](COC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 778759684 MIVSZPVFFABVPI-FZNQNYSPSA-N 431.489 4.245 5 20 IIBD COc1ccc2cccc(CC(=O)OC[C@H]3CCCN3C(=O)c3ccccc3[N+](=O)[O-])c2c1 780360970 KOTLWSHJPFNIJC-LJQANCHMSA-N 448.475 4.147 5 20 IIBD COC(=O)Cc1ccccc1COC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781258128 PFPRHQGWRGQGNS-UHFFFAOYSA-N 437.398 4.032 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCc1coc(-c2ccc(F)c(F)c2)n1 781735776 CDEPWOPRGHPGTJ-UHFFFAOYSA-N 433.323 4.112 5 20 IIBD Cc1cc(C(=O)NCC(=O)N2CCC[C@@H]2c2ccccc2C(F)(F)F)ccc1[N+](=O)[O-] 782646628 QHMZYXBHZQLGNU-GOSISDBHSA-N 435.402 4.016 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 783849311 JPXSSBRAAHKAHU-SJORKVTESA-N 435.524 4.247 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 783938120 HOUQXVLQDJFGRP-DUVNUKRYSA-N 438.912 4.405 5 20 IIBD Cc1ccc(Br)nc1C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 786385854 SDQJXPOWSBJYNS-JTQLQIEISA-N 433.218 4.029 5 20 IIBD Cc1ccc([C@H](C)N(C)S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])cc1 795797701 JMJMKAVXOXFEHB-NSHDSACASA-N 431.283 4.187 5 20 IIBD COc1c(C(=O)O[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-] 796310770 GIVJCCHVMDZYHX-QWRGUYRKSA-N 441.267 4.333 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1c(-c2cccc(Cl)c2)noc1C 796388251 BMYZWFZHNXDLPO-UHFFFAOYSA-N 445.815 4.016 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] 796440206 URXNMOZITCHFCZ-ZDUSSCGKSA-N 434.876 4.413 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2c(F)ccc(F)c2N)c2ccccc2)c([N+](=O)[O-])c1 798678939 AWNXBXHWBMMCPE-FQEVSTJZSA-N 441.390 4.300 5 20 IIBD COc1cc(Cl)ccc1NC(=O)c1cc([N+](=O)[O-])cc(I)c1C 800943258 WSAWAYLQPCHGOE-UHFFFAOYSA-N 446.628 4.422 5 20 IIBD Cc1cn(-c2ccc(F)cc2)nc1C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 801449980 POPQFESZQUVLAH-CYBMUJFWSA-N 437.387 4.196 5 20 IIBD CON(CC1CCOCC1)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 801598355 BUHOXKJGGYBPQS-UHFFFAOYSA-N 433.892 4.291 5 20 IIBD C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 804846440 YCIDPVJNDYWACY-XCGNWRKASA-N 449.551 4.445 5 20 IIBD O=C(C[C@@H]1CCCCCN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ccco1 809831996 JZFNLGSMXGGBPK-LBPRGKRZSA-N 444.868 4.187 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 813241717 BDZLRGCDBHUNER-IBGZPJMESA-N 437.839 4.443 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1ccc([N+](=O)[O-])cc1I 813241980 JJRAGMWJKUIEBM-UHFFFAOYSA-N 447.572 4.013 5 20 IIBD COC(=O)c1cc(-c2ccccc2CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])[nH]n1 813509938 KGOYEDBNFJQAKS-UHFFFAOYSA-N 449.250 4.008 5 20 IIBD C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 813613734 QNDDHPFGMCUWEF-BUXKBTBVSA-N 435.402 4.465 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@H](c2nc(-c3cc(Br)ccc3F)no2)C1 815699540 YCHLIVQWPCAGQI-HNNXBMFYSA-N 433.193 4.412 5 20 IIBD O=C(COC(=O)COc1c(Cl)cccc1Cl)Nc1ccc([N+](=O)[O-])cc1Cl 849200695 BNJBYZAXDJPYHO-UHFFFAOYSA-N 433.631 4.116 5 20 IIBD O=[N+]([O-])c1cccc(-c2nccc(/C=C/c3ccc(OCc4ccncc4)cc3)[n+]2[O-])c1 915987659 IBPZPVIVGUHSPV-QPJJXVBHSA-N 426.432 4.435 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)OCc1nc(O)c2ccc(C(F)(F)F)cc2n1 916621813 JDVHFIJKYVYRKL-UHFFFAOYSA-N 439.371 4.098 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 917444499 YDJWUBNHZOCDNV-FQEVSTJZSA-N 442.518 4.242 5 20 IIBD Cc1cc(Br)oc1C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 919380066 WBYDOIOBFBXALY-MRVPVSSYSA-N 431.626 4.096 5 20 IIBD Cn1cc(C(=O)Oc2ccc(NC(=O)c3ccco3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 920112011 VFSHSTNQHNFGIZ-UHFFFAOYSA-N 432.392 4.060 5 20 IIBD COc1ccc(C(OC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c2ccc(OC)cc2)cc1 920798664 BKTCPQLPJLECIY-UHFFFAOYSA-N 447.447 4.295 5 20 IIBD CNC(=O)c1ccc(NCCSc2ncc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])c1 1262728453 CQRNBYBOFIHYHF-UHFFFAOYSA-N 434.827 4.226 5 20 IIBD Cc1cc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)ccc1N1CCN(C)CC1 1318288700 CBCGUNNJIIXDGO-UHFFFAOYSA-N 425.533 4.098 5 20 IIBD O=C(NCc1ccc(Br)o1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 1322165757 RCRDGGZIMHCSST-UHFFFAOYSA-N 431.242 4.459 5 20 IIBD CC(C)(C)c1ccc(-c2nnc(CCN3CCN(c4ccccc4)CC3)o2)cc1[N+](=O)[O-] 1322166153 CWAFIINZOSUUQH-UHFFFAOYSA-N 435.528 4.307 5 20 IIBD O=C(/C=C/c1ccsc1)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1 1786944934 VNTJSFISISXZDX-XNWCZRBMSA-N 436.493 4.446 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(F)c4)CCC3)cc2)ncc1[N+](=O)[O-] 1788766652 NMLKAEFAESNXST-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD Cc1ccccc1CCC(=O)Nc1ccc(C2(NC(=O)c3nc[nH]c3[N+](=O)[O-])CCC2)cc1 1791342588 CLAAUDXDCIYAKX-UHFFFAOYSA-N 447.495 4.007 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc2occc2c1 1800529074 JJFFDVSPPQSYRQ-BJWYYQGGSA-N 437.427 4.046 5 20 IIBD C/C=C(/C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3C)sc2C1 1823706382 NRWXCLGFINPKLF-FSIMMPEJSA-N 448.932 4.205 5 20 IIBD CCCCC[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)CC2 1825284710 BYIARVVLJIIUOC-STQMWFEESA-N 434.518 4.087 5 20 IIBD Cn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccc(C(C)(C)C)cc1 14101405 DSONETCZZRLFIL-UHFFFAOYSA-N 425.514 4.419 5 20 IIBD Cc1c(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3Cl)n2C)cccc1[N+](=O)[O-] 22046674 ATULSWCTKSYLRR-LBPRGKRZSA-N 431.905 4.471 5 20 IIBD CCNc1ccc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1[N+](=O)[O-] 23680816 QUQWHKIZTXFKMY-UHFFFAOYSA-N 432.480 4.251 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc(Cl)c2ncccc12 26087700 ZMDTXYSRWPHDOZ-UHFFFAOYSA-N 426.816 4.123 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1n[nH]c(-c2ccccc2Br)n1 28900275 YEWVRTXDJHRQQN-JTQLQIEISA-N 448.302 4.262 5 20 IIBD Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 29956170 CIBKMRKTHSCZHA-SFHVURJKSA-N 443.385 4.348 5 20 IIBD O=[N+]([O-])c1ccc(Oc2nc(CN3CCOCC3)nc3sc4c(c23)CCCC4)cc1 57366677 FTTAHRZDMIRDEE-UHFFFAOYSA-N 426.498 4.103 5 20 IIBD O=C1[C@@H](c2ccccc2)N(Cc2ccccc2)C(=O)N1CCOc1cccc([N+](=O)[O-])c1 59017064 WRIIXPCVPQTZGK-JOCHJYFZSA-N 431.448 4.179 5 20 IIBD C[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1cccc(OCc2ccccn2)c1 59779353 HSZHKELJACSYNZ-QGZVFWFLSA-N 443.463 4.246 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)cc1[N+](=O)[O-])c1ccccn1 64692803 PDIVCWOQFNTARO-VGOFRKELSA-N 449.511 4.323 5 20 IIBD COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)Cc1ccccc1[N+](=O)[O-])CC2 69063970 WJHKQPZVRMAPAW-RUZDIDTESA-N 432.476 4.329 5 20 IIBD C[C@H](Cc1ccc(Br)cc1)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 107871606 MXYVJXXZOPIHSC-OAHLLOKOSA-N 446.345 4.321 5 20 IIBD CN(C)CCN1CCC(NCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 237167116 XDTFXTNDHKPRHY-UHFFFAOYSA-N 432.952 4.156 5 20 IIBD C[C@H](CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Oc1ccccc1Br 237562127 FBMMHBXYZWIJPG-CQSZACIVSA-N 445.317 4.315 5 20 IIBD O=C(NC1CCCCC1)N1CCC(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 237927883 BZZBAQMGCJGMBA-UHFFFAOYSA-N 426.517 4.451 5 20 IIBD CC(C)NC(=O)[C@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 261461093 TUHPNQXAXLPJOH-IRXDYDNUSA-N 425.485 4.200 5 20 IIBD COc1ccc(CSCC(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)cc1[N+](=O)[O-] 409560107 BBBLHATYHLOKNH-AVRDEDQJSA-N 430.526 4.121 5 20 IIBD CCS[C@@H](C)c1noc(CN(C)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1 409699684 VBFSQRZTIFFYLD-NSHDSACASA-N 433.515 4.188 5 20 IIBD CSc1ccsc1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 409879987 NDMODAGJHKPBPO-UHFFFAOYSA-N 431.461 4.359 5 20 IIBD CC(C)CCn1c(SCCC(=O)Nc2ccccc2[N+](=O)[O-])nc2ccccc2c1=O 409880592 RHOVYDGVTRDUIZ-UHFFFAOYSA-N 440.525 4.472 5 20 IIBD COc1ccc(OC)c(CCCNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 425949719 GZWNSVIRGRYTJG-UHFFFAOYSA-N 441.406 4.063 5 20 IIBD CN(Cc1ccc(Br)c(F)c1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 427170778 NLGQDGANJIENFG-UHFFFAOYSA-N 433.180 4.370 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCS[C@@H]2COCC[C@@H]21 427276544 OXDQKPMTSKOHIJ-QFBILLFUSA-N 434.901 4.387 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN(CCc1ccccc1)Cc1cccnc1 429286373 JEUCADHVGRBQLE-UHFFFAOYSA-N 432.480 4.033 5 20 IIBD O=[N+]([O-])c1ccc(OC(F)F)c(CNc2ccc(Cl)c(CN3CCOCC3)c2)c1 430050909 KMBZTWIRTBJFPA-UHFFFAOYSA-N 427.835 4.294 5 20 IIBD CC(=O)N1CCC(N(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)Cc2cncs2)CC1 430190394 GHNVBKFFOAKNQH-UHFFFAOYSA-N 440.525 4.324 5 20 IIBD CC(C)c1[nH]nc(C(=O)N(CCCn2ccnc2)Cc2c(F)cccc2Cl)c1[N+](=O)[O-] 433746893 BTMOZFPYOJZQQU-UHFFFAOYSA-N 448.886 4.163 5 20 IIBD CC(C)c1[nH]nc(C(=O)Nc2ccc(Cl)c(C(=O)NCc3cccs3)c2)c1[N+](=O)[O-] 434011743 KYADSQQARZDJAI-UHFFFAOYSA-N 447.904 4.339 5 20 IIBD CCOC(=O)c1ccnc(N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1[N+](=O)[O-] 434944842 YMAVGEAUCBWSJD-SNVBAGLBSA-N 430.408 4.026 5 20 IIBD O=C(NC[C@H](c1ccco1)N1CCCCC1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 435815399 FEVWFEPZXSFQND-HXUWFJFHSA-N 433.483 4.370 5 20 IIBD COc1cccc(C(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)c1[N+](=O)[O-] 435857491 UUURPLULIPVTFR-UHFFFAOYSA-N 432.498 4.103 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1ccc(F)cc1OC(C)(C)C 438649823 OMNPUHOJTQVJMV-UHFFFAOYSA-N 431.464 4.287 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCCC[C@H]1c1ncc(-c2ccccc2)[nH]1 439199351 MLZMZCWKHJTBGA-FQEVSTJZSA-N 426.498 4.042 5 20 IIBD O=[N+]([O-])c1cc2c(c(C[S@](=O)Cc3csc(CCc4ccccc4)n3)c1)OCOC2 439508578 CXBSSJHPWOOOOU-PMERELPUSA-N 444.534 4.152 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CC(Cc4ccc(F)c(F)c4)C3)cc2[N+](=O)[O-])CC1 443677468 SLYNLAFFHGDNBS-UHFFFAOYSA-N 429.467 4.424 5 20 IIBD COc1ccccc1[C@@H](NC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccccc1 445089990 INMHIHIKSUKQHG-QFIPXVFZSA-N 431.452 4.069 5 20 IIBD O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1sc(Br)cc1[N+](=O)[O-] 445177083 WIZZSTGKXVRKCA-DOMZBBRYSA-N 425.304 4.317 5 20 IIBD O=C(Nc1nnc(-c2ccccc2Cl)s1)c1sc(Br)cc1[N+](=O)[O-] 445190142 KINYHEOQJWNIKY-UHFFFAOYSA-N 445.707 4.843 5 20 IIBD CCCCCNC(=O)Cc1noc(-c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)n1 445434783 AXEKGOPJVWGCEA-UHFFFAOYSA-N 447.542 4.410 5 20 IIBD CCS(=O)(=O)c1ccc(-c2noc(Cn3c4ccccc4c(=O)c4ccccc43)n2)cc1 445601814 RAOJLAMHWWJDCM-UHFFFAOYSA-N 445.500 4.047 5 20 IIBD Cc1c(C)n(C[C@@H]2CCCO2)c2ncnc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c12 445966395 QZIUZBXPWUUXFG-AWEZNQCLSA-N 429.864 4.041 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(CC(F)(F)F)[C@@H]3CCCOC3)cc2[N+](=O)[O-])C1 446202827 XYNGVJIDLCDGAL-BFYDXBDKSA-N 443.466 4.261 5 20 IIBD CC(C)C(=O)N1CCC(C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])CC1 446435871 GYEVMEREUIQBQY-UHFFFAOYSA-N 425.485 4.007 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCOc3c(F)cccc3C2)cc1[N+](=O)[O-])c1ccccn1 447864463 FPIOZPUFFFCFKS-OAHLLOKOSA-N 436.443 4.337 5 20 IIBD C[C@H]1CCO[C@H]1c1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1CCc1ccccc1 460434808 FDTDWQZHVMHRRA-HTAPYJJXSA-N 433.512 4.089 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc([S@](C)=O)cc2)cc1 461636405 PKHZUNZDUZQMSI-PMERELPUSA-N 426.450 4.385 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 462647378 XPMCRCFIUBBHLD-GOSISDBHSA-N 444.491 4.400 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCN(c2ncc(Cl)cc2Cl)CC1 463132165 NRRRPGOYLSDTOB-UHFFFAOYSA-N 449.216 4.278 5 20 IIBD CC[C@]1(C)CCCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 464604949 SLKATPPHELXARB-OAQYLSRUSA-N 431.514 4.048 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCc1ccccc1OC(F)(F)F 465072921 DIDHQYWTCRVYBZ-UHFFFAOYSA-N 440.421 4.412 5 20 IIBD COc1cc(CCNC(=O)N2C[C@@H](C)C[C@H]2c2ccccc2F)c([N+](=O)[O-])cc1OC 465604663 QKUFLVCOBWEVAB-LIRRHRJNSA-N 431.464 4.086 5 20 IIBD Cc1noc(C)c1COc1ccc(CC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 466298241 PMVLFBQAHFSQNZ-UHFFFAOYSA-N 429.860 4.291 5 20 IIBD COC(=O)CSCCNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 466754407 OHQSJUZPRZZRJH-UHFFFAOYSA-N 440.930 4.035 5 20 IIBD C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)c1nnc2n1CCC2 466800995 JOEYAFPZCMNZPH-GFCCVEGCSA-N 443.916 4.428 5 20 IIBD COCCc1ccccc1NC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 466934105 UXKJLEGYTKQFAQ-UHFFFAOYSA-N 426.395 4.036 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Sc2nc(O)c(C)c(-c3ccccc3)n2)c([N+](=O)[O-])c1 467201860 PEVZZJXDIVNGHH-CYBMUJFWSA-N 440.481 4.194 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 467993138 JSLUEYTWTYBICH-UHFFFAOYSA-N 445.541 4.207 5 20 IIBD O=C(Nc1ccc(OCc2ccccn2)c(F)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 471535643 FWNSSLUKYDYTDY-UHFFFAOYSA-N 433.399 4.146 5 20 IIBD COc1ccc(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(I)c1 471912812 XTHGUAOLWYXKSW-LLVKDONJSA-N 440.237 4.007 5 20 IIBD COC(=O)COc1ccc(/C=C(/CCC(=O)O)c2nc3ccccc3s2)cc1[N+](=O)[O-] 473494200 ZKUODOYRGAEHOP-UVTDQMKNSA-N 442.449 4.162 5 20 IIBD CSc1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)cc1[N+](=O)[O-] 475072023 XPMNLIGKGDZXDK-ZDUSSCGKSA-N 440.308 4.159 5 20 IIBD Cn1ccnc1[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cccc(F)c1 475212029 CXBTVFQKYXPQEJ-INIZCTEOSA-N 437.353 4.397 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(-c2ccc(C)o2)ccc1C 475832596 WWMTUXUKOGFKSZ-UHFFFAOYSA-N 430.438 4.059 5 20 IIBD CCOc1cc(N2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)s3)CC2)ccc1[N+](=O)[O-] 477377031 IOCKHHQHSFUVCK-HUUCEWRRSA-N 435.933 4.161 5 20 IIBD COc1cc(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2C)cc([N+](=O)[O-])c1C 478678687 VKQPDMGWTQKPOA-UHFFFAOYSA-N 435.484 4.457 5 20 IIBD CCOc1cc(OCc2nc(Cc3cccc(Br)c3)no2)ccc1[N+](=O)[O-] 478724146 YRLMFTHWKIWKRP-UHFFFAOYSA-N 434.246 4.309 5 20 IIBD O=C(N[C@H]1CC=C(c2ccc(F)cc2)CC1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 479451939 WVCQYUFSZHQNLO-ZWKOTPCHSA-N 443.500 4.152 5 20 IIBD CCn1c(SCC(=O)Nc2cccc(SC)c2)nnc1-c1ccc([N+](=O)[O-])cc1 481342279 OKMWXFKUYCGZNZ-UHFFFAOYSA-N 429.527 4.326 5 20 IIBD CCOc1ccc(NC(=O)c2ccc(NC(=O)c3[nH]nc4ccc([N+](=O)[O-])cc34)cc2)cc1 481745858 WBLVPMQWXVLWIR-UHFFFAOYSA-N 445.435 4.374 5 20 IIBD CC(C)(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 484193936 TYUNAGMGALLGGG-UHFFFAOYSA-N 426.448 4.024 5 20 IIBD O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 484717443 XDLJKVBGBRILNA-UHFFFAOYSA-N 426.845 4.205 5 20 IIBD CCn1c([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)nc2ccccc21 484944293 JEKFOWZSGGMWEF-CQSZACIVSA-N 428.514 4.194 5 20 IIBD CCOC(=O)c1csc([C@H]2CCCN2[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1 484944483 YMCOWGNUPZURFU-BLLLJJGKSA-N 443.485 4.176 5 20 IIBD CSc1cccc(C(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)c1[N+](=O)[O-] 486414757 XRMDHFDVKHCIPY-UHFFFAOYSA-N 430.877 4.076 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)N[C@H](c1ccccc1)c1cccc(Cl)c1 487890720 VIVPKWPRQOKYOU-HSZRJFAPSA-N 447.878 4.469 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 489198144 VEWJZRKFEMITOX-QGZVFWFLSA-N 433.574 4.254 5 20 IIBD CC(C)c1ccc(-c2noc(CCC(=O)Nc3n[nH]c(-c4cccc([N+](=O)[O-])c4)n3)n2)cc1 490371196 USTLMHYXGBOXFL-UHFFFAOYSA-N 447.455 4.125 5 20 IIBD COc1ccc(CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](CO)C(C)C)cc1 491395579 JIJOWKIDKSQBSE-JOCHJYFZSA-N 425.485 4.278 5 20 IIBD CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 494903863 OXCZFSPHFSBTHH-LJQANCHMSA-N 435.311 4.180 5 20 IIBD C[C@@H](O)CCN(C)[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 494912096 WCZXZBLGFJPWDS-FOIQADDNSA-N 440.525 4.101 5 20 IIBD O=C(Nc1ccc(Br)cc1Br)c1cc2c(c([N+](=O)[O-])c1)OCO2 498239203 XGHBJTZXXHMRHM-UHFFFAOYSA-N 444.035 4.101 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N(c1cccc(Cl)c1)c1nc2ccccc2s1 499327857 RGPWBAGISWBFPD-UHFFFAOYSA-N 440.868 4.385 5 20 IIBD Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C3)cc1 506363402 OEOAZRDUFXNFEH-UHFFFAOYSA-N 446.463 4.451 5 20 IIBD CC(C)N(Cc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1)C[C@@H]1CCCCO1 507331538 PLKLCNHHFWAKSU-QFIPXVFZSA-N 427.501 4.332 5 20 IIBD COCCC[C@@H](c1ccc(Cl)cc1)c1noc(CCn2nc(C)c([N+](=O)[O-])c2C)n1 508679557 MPTQOACLHQVXMA-KRWDZBQOSA-N 433.896 4.246 5 20 IIBD Cc1c(C[S@](C)=O)cccc1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 510043350 IUYNENUMYBPRRF-VWLOTQADSA-N 425.304 4.105 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCC[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1OC 510097302 FUKGSWLIXPWKAQ-PKOBYXMFSA-N 441.528 4.033 5 20 IIBD COC(=O)C[C@H](C)NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 510121727 XGYOENWVNXPATR-AOHITCTBSA-N 439.493 4.203 5 20 IIBD C[C@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1=O 513522081 PUUPGXJFLWGLQB-ACJLOTCBSA-N 441.484 4.431 5 20 IIBD COc1cc(C(=O)Nc2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)ccc2C)ccc1[N+](=O)[O-] 513752423 SKVKSNYTOLMJSS-GJZGRUSLSA-N 425.485 4.282 5 20 IIBD CN1CCN(c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c(C(F)(F)F)c2)CC1 514463551 XHKHGLLBXIHAGF-UHFFFAOYSA-N 448.401 4.364 5 20 IIBD COc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc(OC)c1Br 515096624 LKCCRLRCFJSIRX-UHFFFAOYSA-N 447.188 4.228 5 20 IIBD CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCc1ccccc1OC(F)F 515115467 SFBTZMITBZIEDG-UHFFFAOYSA-N 433.367 4.138 5 20 IIBD COc1ccc(F)cc1[C@H](C)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 515431999 UTGRWNJWBMNBPG-QWRGUYRKSA-N 429.370 4.439 5 20 IIBD CCCOc1ccc(Oc2ncccc2CNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 515513652 AQQAEUAAQAXODI-UHFFFAOYSA-N 443.481 4.049 5 20 IIBD C[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccc(OCC(F)(F)F)cc1 518634943 UIMZXPRQCLHUJJ-CYBMUJFWSA-N 434.374 4.213 5 20 IIBD COc1cc(OCC(=O)Nc2nc(-c3cc4ccccc4o3)cs2)ccc1[N+](=O)[O-] 519019847 LRDDFYNMJMAURS-UHFFFAOYSA-N 425.422 4.491 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1c2c(nn1-c1ccccc1)CCC2 523878442 SFYMBZVIWXMNPA-UHFFFAOYSA-N 426.860 4.330 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCC[S@](=O)c1ccc(Br)cc1 523901165 LPMPGLMRYYOMPI-VWLOTQADSA-N 425.304 4.192 5 20 IIBD Cc1c(COc2ccccc2)cccc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 531318422 WDYNZXJAQOFRPY-UHFFFAOYSA-N 447.495 4.231 5 20 IIBD CCCCN1C(=O)CC[C@H](C(=O)N(C)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1OC 532825057 BJDKHOIZDJRVPO-NZQKXSOJSA-N 439.512 4.346 5 20 IIBD C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1NS(=O)(=O)c1cccs1 533169730 AJMIPWAHTYXZLF-ZDUSSCGKSA-N 446.510 4.340 5 20 IIBD COc1ccc2[nH]cc(C3CCN([C@@H]4CCN(c5cccc([N+](=O)[O-])c5)C4=O)CC3)c2c1 533250518 SBLISZJYZBWPOV-HSZRJFAPSA-N 434.496 4.070 5 20 IIBD COc1cc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)sc1Br 534736921 ITGXLMNJMGCAOP-HNNXBMFYSA-N 429.317 4.315 5 20 IIBD O=C(NCC1CCN(Cc2ccccc2Cl)CC1)c1c[nH]c2cccc([N+](=O)[O-])c12 536509549 UXNZLFWWSFBVBT-UHFFFAOYSA-N 426.904 4.372 5 20 IIBD O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1cc(Br)cc([N+](=O)[O-])c1 539350001 XXQLQPXEFQWHCV-HOTGVXAUSA-N 425.666 4.271 5 20 IIBD CCCN1C(=O)CCc2cc(NC(=O)c3cc(SC)c(OC)cc3[N+](=O)[O-])ccc21 540251356 YMYGNPFKOCGEPM-UHFFFAOYSA-N 429.498 4.267 5 20 IIBD C[C@@H](NC(=O)NC(C)(C)COc1ncccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 542710985 RZNNNGZZDDZGEC-GFCCVEGCSA-N 426.395 4.226 5 20 IIBD COc1cc(Br)ccc1CCC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 542926656 ZXKRPFYZAWYWTN-UHFFFAOYSA-N 441.709 4.311 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1Cn1cc(Br)cc(Br)c1=O 543159519 ILCKFTKRUVUHMK-UHFFFAOYSA-N 446.095 4.117 5 20 IIBD C[C@@H]1C[C@H](CCNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)CCO1 543252682 UVHKWOFUMPNBMM-ZIAGYGMSSA-N 449.554 4.067 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nnc(SCc3ccccc3)s2)c1 543639368 HDMGKACEQGXFMZ-UHFFFAOYSA-N 436.540 4.156 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1CCCN(Cc2cccs2)C1 544226618 OZLBHSFKTALWBD-AWEZNQCLSA-N 439.990 4.430 5 20 IIBD Cc1c(Cc2noc(-c3csc(-c4ccc5c(c4)OCCO5)n3)n2)cccc1[N+](=O)[O-] 546488661 VMYRJIJODFZCPG-UHFFFAOYSA-N 436.449 4.439 5 20 IIBD Cc1cccc(NC(=O)[C@@H](Sc2nc3cc([N+](=O)[O-])ccc3c(=O)n2C)C(C)C)c1C 547254517 PELVONGZXUEINP-IBGZPJMESA-N 440.525 4.214 5 20 IIBD CN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCSc2ccc(Br)cc21 552384806 BBVKSSJEYSTHTR-OAHLLOKOSA-N 436.331 4.465 5 20 IIBD O=C(Nc1cccc(NS(=O)(=O)Cc2ccccc2)c1)c1c(Cl)cccc1[N+](=O)[O-] 553648173 NGCLFNFVFBJTIW-UHFFFAOYSA-N 445.884 4.442 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 555028150 ZDIWGCMQLJJOQE-UHFFFAOYSA-N 425.828 4.295 5 20 IIBD COCCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1OC 557463981 WLLVMSIVIBIFQY-UHFFFAOYSA-N 439.262 4.034 5 20 IIBD COc1cc(C(=O)NCC2(c3ccccc3Br)CCC2)cc([N+](=O)[O-])c1OC 590007332 CMLXIKDPWBBVFV-UHFFFAOYSA-N 449.301 4.226 5 20 IIBD COc1ccccc1-c1ccc([C@H](C)Nc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)cc1 600849537 PBOPCPBPMRNXAV-AWEZNQCLSA-N 427.482 4.091 5 20 IIBD CCOc1ccc([C@@H](NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 603613190 WXBKBQHIPYYMDW-DEOSSOPVSA-N 447.491 4.019 5 20 IIBD C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1Cl 603988078 YYESMPTUUPYKEV-CQSZACIVSA-N 431.876 4.280 5 20 IIBD O=C(CSc1nnc(Cc2c(F)cccc2Cl)o1)N1CCc2cc([N+](=O)[O-])ccc21 608929842 WKSPGDMAMKPKSY-UHFFFAOYSA-N 448.863 4.043 5 20 IIBD O=C(Nc1cccc(COCCc2ccccc2)c1)c1cc([N+](=O)[O-])cc2c1OCCO2 608942476 JFTMXNFUVFKHOR-UHFFFAOYSA-N 434.448 4.378 5 20 IIBD CCN(C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)[C@H]1CCCC[C@H]1C 608965216 WHTQCNBREIAKNF-IERDGZPVSA-N 445.541 4.436 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N(Cc1ccccc1F)C1CCCCC1 609218587 VWJRKNBNINPIIV-UHFFFAOYSA-N 427.432 4.003 5 20 IIBD CC(C)NC(=O)c1ccc(Cl)c(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c1 609723612 MFNPHKBIOHYTKU-UHFFFAOYSA-N 440.283 4.447 5 20 IIBD O=C(CSc1cccs1)Nc1ccc(C(=O)NCc2ccccc2[N+](=O)[O-])cc1 609754408 UPHIXLXVRPRKSJ-UHFFFAOYSA-N 427.507 4.317 5 20 IIBD CCOc1cc(C(=O)N[C@@H](COC)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC 609816991 MPTHOBKCEFDZEW-HNNXBMFYSA-N 442.390 4.138 5 20 IIBD Cc1ccoc1C(=O)NCCCNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 610026601 OMHZAUDYWFRIGH-UHFFFAOYSA-N 438.440 4.230 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)cc2[N+](=O)[O-])n1 610192607 KSIXITBWUXYAFX-XKQJLSEDSA-N 433.555 4.444 5 20 IIBD CCO[C@H]1C[C@@H](Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])C12CCC2 610211024 MCTNGBGYMNFODX-UXHICEINSA-N 431.514 4.155 5 20 IIBD CC1CCN(c2ccc(C(=O)NC3CCN(c4cccs4)CC3)cc2[N+](=O)[O-])CC1 610672495 RINJOHPBULQITD-UHFFFAOYSA-N 428.558 4.291 5 20 IIBD CCOC(=O)CC[C@@H]1CCCN(C(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)C1 611042860 NEHBCOPHZWUSGQ-OTWHNJEPSA-N 445.560 4.273 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C(=O)Nc2ccccn2)C1 611477650 SXVRAYUOONTFBM-MRXNPFEDSA-N 442.541 4.373 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c2ncccc12 613338693 VSQAYLLAMNPWBW-MRXNPFEDSA-N 436.493 4.193 5 20 IIBD O=c1c2ccccc2[nH]c2ccc(-c3nc([C@H]4CN(Cc5ccccc5)CCO4)no3)cc12 681960490 SCJQHUPCNYKHJO-HSZRJFAPSA-N 438.487 4.305 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 725733934 NLXSTUKYAURPDU-MRXNPFEDSA-N 441.484 4.374 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 725986346 DHMIBZFFTNHIJK-JTQLQIEISA-N 441.318 4.014 5 20 IIBD Cc1ccc[n+](/C(C(=S)NCCc2cccs2)=C(/O)c2ccc([N+](=O)[O-])cc2)c1 727812116 FYNGITDQGOUTGI-UHFFFAOYSA-O 426.543 4.296 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)C[C@@H](c2ccccc2)C(F)(F)F)c([N+](=O)[O-])c1 728655469 VTDCPHDOLZLFIY-WFASDCNBSA-N 440.374 4.210 5 20 IIBD O=C(OCCOc1ccccc1[N+](=O)[O-])c1cnn(-c2ncccc2Cl)c1C(F)F 730885598 NTJYDJVDFJSNOG-UHFFFAOYSA-N 438.774 4.002 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N(C)c2ccc(OCCN(C)C)cc2)CC1 732005084 BIBKDJGYRNHTIC-UHFFFAOYSA-N 440.544 4.048 5 20 IIBD Cc1c(C(=O)N[C@@H](C)Cc2ccc(C(F)(F)F)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 732038401 MOWXLAPZPBTWRL-JTQLQIEISA-N 425.363 4.500 5 20 IIBD O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 734485328 VQKFKRHTNYORHQ-HNNXBMFYSA-N 434.418 4.197 5 20 IIBD O=C(NC(c1cccs1)c1cccs1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 737612485 SDSUMCHSIZOQFI-LBPRGKRZSA-N 445.497 4.116 5 20 IIBD COc1cc(N2CCC(OC(=O)CCSc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] 739380822 NSOFDHZTMJQQGK-UHFFFAOYSA-N 434.489 4.437 5 20 IIBD CSc1ccc(O[C@H](C)C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 740995951 OQMBMLWDTZMZNF-CHWSQXEVSA-N 429.454 4.438 5 20 IIBD CCCCS(=O)(=O)Oc1ccc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1OC 742270480 WOANEVQGTKEHLK-GOSISDBHSA-N 432.498 4.094 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)ccc1[N+](=O)[O-] 743267668 XZWHSCBJNHBSPO-AWEZNQCLSA-N 435.502 4.290 5 20 IIBD CCN(CC)[C@H](C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 744996410 IWMKIQPPMFVMJR-KUHUBIRLSA-N 433.892 4.202 5 20 IIBD C/C(=C/C(=O)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccc(C(F)(F)F)c1 745481919 BSOYOXOATACGNK-LCYFTJDESA-N 434.370 4.149 5 20 IIBD C[C@@H](CC(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)c1cccc(F)c1 746087626 OOSOSTWAZFFVQG-STQMWFEESA-N 427.388 4.297 5 20 IIBD COc1cc(-c2noc(COc3cc([N+](=O)[O-])ccc3Cl)n2)ccc1OC(F)F 747811705 YFIZRDMFRPRJCN-UHFFFAOYSA-N 427.747 4.487 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)NCCCCc2nc(-c3cccnc3)cs2)cc1[N+](=O)[O-] 748309371 BQKCQOHIGGELGW-UHFFFAOYSA-N 441.469 4.083 5 20 IIBD O=C(Nc1ccc(-c2ccccc2)cc1F)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 751233898 YOJROGGUQLFMQX-UHFFFAOYSA-N 439.355 4.333 5 20 IIBD O=C1CCCN1CC[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc21 751338083 UTRVXXINPGPJFE-AWEZNQCLSA-N 447.413 4.370 5 20 IIBD CCOC(=O)Nc1ccc2c(CN[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)cc(=O)oc2c1 751921038 DHIHWHCVNQEZOB-AWEZNQCLSA-N 425.441 4.429 5 20 IIBD Cc1ccc2nc([C@H]3CCCN3S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3Cl)[nH]c2c1 752249300 JBZRODFFLYRJBA-MRXNPFEDSA-N 434.905 4.267 5 20 IIBD COCCc1noc(-c2cc(Cl)ccc2NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)n1 753272368 DVIKJWCYDCRRMB-WTKPLQERSA-N 428.832 4.139 5 20 IIBD COc1ccccc1[C@H](CNc1ncnc2cccc([N+](=O)[O-])c12)NC(=O)OC(C)(C)C 754016237 AIZXMAVRWPMPFV-INIZCTEOSA-N 439.472 4.225 5 20 IIBD O=C(NCc1ccco1)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1Br 757896721 HBIJMXRUYOCQEU-UHFFFAOYSA-N 444.241 4.133 5 20 IIBD O=C(Nc1ccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2O)cc1)OCC(F)(F)F 758468434 RFUVPSIULUZDJY-UHFFFAOYSA-N 433.726 4.317 5 20 IIBD C[C@@H](OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)Nc1ccccc1C(F)(F)F 758735715 DHGCFJCRZSPVCJ-LLVKDONJSA-N 435.358 4.208 5 20 IIBD O=[N+]([O-])c1ccc(CN(c2ccccc2)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1 759049621 NXZXHFYCKMHYKJ-UHFFFAOYSA-N 427.438 4.040 5 20 IIBD O=[N+]([O-])c1ccc(CCc2nc(Cc3csc(-c4ccccc4)n3)no2)c([N+](=O)[O-])c1 761385775 LMOCURWEWKXOGB-UHFFFAOYSA-N 437.437 4.386 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(-c3ccc(Oc4ncccn4)cc3)no2)ccc1-n1ccnc1 761498875 JXAIIHZGKAKBEH-UHFFFAOYSA-N 427.380 4.080 5 20 IIBD CCN(CC)CCOc1ccccc1-c1noc(-c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)n1 761548473 WWHLGKYHNDGYEY-UHFFFAOYSA-N 448.483 4.218 5 20 IIBD O=C(Nc1cccc(-c2noc([C@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)n2)c1)C1CCC1 761655901 JAPDAKGLAMJJBZ-LJQANCHMSA-N 433.424 4.249 5 20 IIBD CCCc1ccc(N2C[C@H](c3nc(Cc4ccc([N+](=O)[O-])c(OC)c4)no3)CC2=O)cc1 762308318 JBBLFQNAVHTVTB-QGZVFWFLSA-N 436.468 4.050 5 20 IIBD O=C(Nc1ccc(Cl)nc1)c1cc(C(=O)Nc2ccc(Cl)nc2)cc([N+](=O)[O-])c1 763392254 FTIOIGUCTQHXNX-UHFFFAOYSA-N 432.223 4.196 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)Nc1ccc(Cl)cc1 763810476 MSICPIBFNPHXBA-GFCCVEGCSA-N 438.889 4.171 5 20 IIBD Cc1ccc(-c2noc([C@H](C)OC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)n2)cc1F 763868490 AGOQYPKNXPBQMB-ZDUSSCGKSA-N 437.387 4.196 5 20 IIBD O=C(COC(=O)c1ccc(Sc2ccccc2Cl)nn1)c1cccc([N+](=O)[O-])c1 764042975 VMQTYLQSCHOITQ-UHFFFAOYSA-N 429.841 4.229 5 20 IIBD COc1ccccc1[C@H]1CCCCN1c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] 764169490 ARXBJSARKGNAOC-OAHLLOKOSA-N 426.441 4.331 5 20 IIBD C[C@H]1[C@@H](C(F)(F)F)OC(=O)N1c1ncccc1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 764308011 WRDPIXDYSIXXGW-SDBXPKJASA-N 444.753 4.172 5 20 IIBD Cc1c(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2F)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 764466455 GMNJKMXXYYFECG-UHFFFAOYSA-N 433.392 4.467 5 20 IIBD COc1ccc2c(C)c(CCC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)c(=O)oc2c1 764568292 HNJOYEJHWIWIKP-UHFFFAOYSA-N 436.464 4.142 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccccn1 768410857 DAVCFFMQMSXYJH-NSHDSACASA-N 432.893 4.041 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(Cl)cc(Br)c1F 769513435 DCZKTXICSYLVJO-UHFFFAOYSA-N 445.628 4.254 5 20 IIBD COc1cccc(Br)c1OC(=O)c1cc([N+](=O)[O-])ccc1Br 769717427 ULMPQTXJLLOUGC-UHFFFAOYSA-N 431.036 4.348 5 20 IIBD CS(=O)(=O)CCOc1cccc(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1 770548997 CAUYKYCEEGDTNN-UHFFFAOYSA-N 432.523 4.359 5 20 IIBD Cc1cc(S(=O)(=O)Oc2ccc3ccc(C(F)(F)F)nc3c2)cc([N+](=O)[O-])c1F 771739422 COQIICYOGVGDMP-UHFFFAOYSA-N 430.335 4.377 5 20 IIBD CC(C)([C@@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1)[N+](=O)[O-] 774368369 JTWKHPZYBCUCQY-KRWDZBQOSA-N 437.246 4.240 5 20 IIBD C[C@H](Nc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1)c1ccc([N+](=O)[O-])cc1 774408725 HXRGIIZFAHSNSD-INIZCTEOSA-N 431.448 4.443 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NS(=O)(=O)c1ccccc1C(F)(F)F 775230406 KCSYPNWCQSWOHH-UHFFFAOYSA-N 448.444 4.233 5 20 IIBD Cc1cc(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nn1-c1ccccc1Cl 776436564 QEHUXLGYPJEVBO-UHFFFAOYSA-N 439.815 4.149 5 20 IIBD NC(=O)c1cccc(Oc2ccc(NCc3ccc(Br)c([N+](=O)[O-])c3)cn2)c1 777515188 ASCACIFZMREBCZ-UHFFFAOYSA-N 443.257 4.256 5 20 IIBD CCCN(CC)C(=O)c1ccc(C(=O)O[C@H]2CCN(c3ccc([N+](=O)[O-])cc3F)C2)cc1 778808321 VCKZPBGPLGOKEM-IBGZPJMESA-N 443.475 4.042 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 781340789 UMUZQAPZYXDDJY-QGZVFWFLSA-N 446.548 4.105 5 20 IIBD CCn1c([C@@H]2CCCN2C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc2ccccc21 781641401 QYUWSZDZERSLTA-IBGZPJMESA-N 437.456 4.169 5 20 IIBD CCc1ccc([C@H](C)NC(=O)[C@H](C)OC(=O)c2cccc([N+](=O)[O-])c2Br)cc1 781676722 WXQRWZCCEPWXCF-STQMWFEESA-N 449.301 4.342 5 20 IIBD C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H](O)c1c(F)cccc1Cl 787340158 YMUHVNNCCSRIQV-JDNHERCYSA-N 449.788 4.327 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccc(CCC(=O)N2CCCC2)cc1 790545798 FHKXGGSKOBDPMA-UHFFFAOYSA-N 433.867 4.124 5 20 IIBD Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 791742423 BRLKZOVJJMCMIA-UHFFFAOYSA-N 444.831 4.245 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2ccc(Br)s2)nn1 797321368 DJLNOAJDTGIQOQ-UHFFFAOYSA-N 448.302 4.194 5 20 IIBD Cc1ccc(CCC2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)CC2)cc1 800180217 YXDXKKQYYIOBJI-UHFFFAOYSA-N 437.540 4.225 5 20 IIBD CCc1cc(C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c2c(C(C)C)noc2n1 801457035 HNXVFWMFLOVYRO-UHFFFAOYSA-N 437.412 4.224 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCOc2ccc(Br)cc2C1 801757410 PXSVBWJTKLWWPF-UHFFFAOYSA-N 440.681 4.115 5 20 IIBD CN(CC(=O)N(C)c1nc2ccccc2s1)c1cc(Br)ccc1[N+](=O)[O-] 808069671 FCBCLVNASUPNLG-UHFFFAOYSA-N 435.303 4.066 5 20 IIBD COc1cc(Cl)c(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])cc1C 808126181 KDWNKLNEJIPWGG-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD O=C(Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1)c1nnc2ccccc2n1 810533107 JDNIXDLQQFJLJR-UHFFFAOYSA-N 449.810 4.058 5 20 IIBD CCCS(=O)(=O)c1ccccc1C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811214590 DCPXYBQVOVSMFN-UHFFFAOYSA-N 446.506 4.259 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] 915181564 WZZXKWCBAHHWOT-OKILXGFUSA-N 440.456 4.182 5 20 IIBD CCc1cccc2c(C3CCN(S(=O)(=O)c4cccc(F)c4[N+](=O)[O-])CC3)c[nH]c12 918194991 OMQOFKJPSXQDCW-UHFFFAOYSA-N 431.489 4.346 5 20 IIBD COc1ccc(COC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 918806305 DLNLQURQDIPJQM-KRWDZBQOSA-N 434.876 4.145 5 20 IIBD CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 919191712 BIUDFCAZQUWXSB-HNNXBMFYSA-N 438.440 4.349 5 20 IIBD CCC[C@H](NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)c1ccccc1 919225415 DXNOBHYQKKPSAR-KDOFPFPSSA-N 429.429 4.014 5 20 IIBD CCOc1ccc(C2=N/C(=C/c3cc([N+](=O)[O-])ccc3OC(F)F)C(=O)O2)cc1OCC 920832237 QEKXLFQAQVWROI-XNTDXEJSSA-N 448.378 4.338 5 20 IIBD CC(C)[C@]1(CO)CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C1 1117646782 QBKUDZLJQCPJDY-JOCHJYFZSA-N 431.920 4.341 5 20 IIBD Cc1cc(NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)ccc1N1CCCC1=O 1253620676 NAACJNZLQKGFTC-UHFFFAOYSA-N 433.262 4.437 5 20 IIBD CCOC(=O)c1ccn(-c2cccc(NC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)c2)n1 1319981672 HYVGMHUKMFLKLY-UHFFFAOYSA-N 449.467 4.154 5 20 IIBD Cc1ccc(Br)cc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1N 1321294628 SAZDXLABICYFRY-UHFFFAOYSA-N 429.068 4.263 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N[C@H]1CCCc2c1cnn2Cc1ccccc1 1321429445 JOZMNTWLXZFASE-QFIPXVFZSA-N 447.539 4.161 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 1325217946 HMNDAQJNUMBHIU-UHFFFAOYSA-N 439.512 4.203 5 20 IIBD CC(C)CO[C@H](C)c1noc(CN(C)Cc2ccc([N+](=O)[O-])cc2Br)n1 1325785701 LECBOIXZXCTPPV-GFCCVEGCSA-N 427.299 4.106 5 20 IIBD C[C@@H](C(=O)OCC(=O)N(CC(F)(F)F)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 1343731662 FRHIWKSBFQPIPU-GFCCVEGCSA-N 444.793 4.490 5 20 IIBD Cc1nc(C)c(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CCC2)s1 1785747963 HAURNTKLCXYYEV-UHFFFAOYSA-N 440.481 4.323 5 20 IIBD C/C=C(\C)C(=O)NC1(c2ccc(NC(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])cc2)CCC1 1790085438 XDVXDAUCKJFSKN-LNKIKWGQSA-N 439.468 4.023 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2ccccc12)c1cc(F)cc([N+](=O)[O-])c1 1797300913 PZSLQBZJRKAPHS-ACDBMABISA-N 447.466 4.453 5 20 IIBD Cc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C[C@H](C)c2ccccc2)C3)cc1[N+](=O)[O-] 1800139942 JXYGPWOVHXLJMZ-IITNATTFSA-N 449.551 4.278 5 20 IIBD Cc1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3)[nH]n2)cc1[N+](=O)[O-] 1820918031 BSRWVTJICXAWDC-FQEVSTJZSA-N 447.495 4.175 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(C)CCC2)[nH]n1 1821283084 DWKLCKOAXVYZRS-QGZVFWFLSA-N 443.479 4.262 5 20 IIBD Cc1cc(C)cc(C(=O)N2CCCC23CN(C(=O)C2(c4cccc([N+](=O)[O-])c4)CCC2)C3)c1 1844926496 UCWZXYZSASXKJL-UHFFFAOYSA-N 447.535 4.151 5 20 IIBD O=C([C@@H]1CCC[C@@H]2CCCC[C@H]21)N1CC2(CCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 1845403390 LKTYSXQCUCPDCC-ZLGUVYLKSA-N 443.519 4.157 5 20 IIBD Cc1c(C(=O)N2CC3(CCCN3C(=O)C34CCC(CC3)CC4)C2)cc(Cl)cc1[N+](=O)[O-] 1846695931 MWFZPOKKPFCHMU-UHFFFAOYSA-N 445.947 4.344 5 20 IIBD CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])c1C 10360391 XCCCPIRNLFQWJW-UHFFFAOYSA-N 427.844 4.463 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1-c1cccs1)Nc1ccccc1N1CCCC1=O 11272947 PRDFMFXKJRGOTC-UHFFFAOYSA-N 437.477 4.468 5 20 IIBD CC(C)c1ccc(C(=O)COC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c(C(C)C)c1 11671651 SXLXQARPPKPLBZ-UHFFFAOYSA-N 447.509 4.285 5 20 IIBD CN(C)C(=O)[C@@H](OC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 17656740 TVUJIGPFVGDENT-QFIPXVFZSA-N 433.464 4.193 5 20 IIBD O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])Nc1ccccc1C(=O)c1ccccc1 23515111 IMFGAMLEVPWJSH-UHFFFAOYSA-N 438.823 4.275 5 20 IIBD CSc1ccc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 23529558 BDSRZLNTZWUVGP-UHFFFAOYSA-N 428.297 4.334 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1cc2ccccc2o1 23927967 CITZMZQMLHSSOO-RDTXWAMCSA-N 441.509 4.070 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@@H](c1ccccc1)N1CCCC1 24357508 KKCKPYRQLBBWLS-VWLOTQADSA-N 425.532 4.108 5 20 IIBD CN(Cc1cnn(C)c1)C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 24471449 QGBADZQYCWRTGI-UHFFFAOYSA-N 439.522 4.361 5 20 IIBD C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)COc1cccc([N+](=O)[O-])c1 45830285 XCLWVSLGKQTEIK-QGZVFWFLSA-N 433.464 4.446 5 20 IIBD C[C@H]1CN(C[C@@H]2CCCN2C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C[C@@H](C)O1 72035342 BIBNWZGFWXUSBE-UEXGIBASSA-N 438.528 4.052 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCN(C4CCCC4)CC3)cc2[N+](=O)[O-])n1 105875157 NMKZIDZEQBPOOI-UHFFFAOYSA-N 432.571 4.211 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cc1OC 303733608 FPKOQCPLSZHPEO-HKUYNNGSSA-N 441.528 4.127 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCC(c2nncn2C2CC2)CC1 409453052 MWRXRUMIYGFTPE-UHFFFAOYSA-N 433.468 4.333 5 20 IIBD C[C@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 426989395 BJENFQCOEIJBSU-OAHLLOKOSA-N 445.928 4.131 5 20 IIBD COc1cc(N[C@@H]2CCCN(C(=O)c3ccc(SC)c([N+](=O)[O-])c3)C2)cc(OC)c1 427016565 QXYJVUVZKASVQF-OAHLLOKOSA-N 431.514 4.051 5 20 IIBD O=C(CSc1nnc(-c2ccc(F)cc2)o1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 427592784 RAZGSQYYGKXDOA-UHFFFAOYSA-N 428.445 4.067 5 20 IIBD Cc1cc(Cl)ccc1C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 428355514 FUWYAWZQJLMWNK-UHFFFAOYSA-N 437.886 4.098 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)c(C(F)(F)F)c1 435600350 AXFHEUPSRSQQIR-MJHDQNEOSA-N 436.358 4.116 5 20 IIBD Cc1cc(OCC(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)ccc1[N+](=O)[O-] 435619277 TYSGUGCJUJPEJL-UHFFFAOYSA-N 434.452 4.242 5 20 IIBD C[C@@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 436126592 FCRRNEMROCSSMJ-RBSFLKMASA-N 427.495 4.056 5 20 IIBD O=C(Nc1cccc(CCC(F)(F)F)c1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 437035697 WYFMTBFOWNTSLI-UHFFFAOYSA-N 435.402 4.219 5 20 IIBD O=[N+]([O-])c1ccc(NC[C@H]2CCC[C@@H](C(F)(F)F)C2)c(S(=O)(=O)N2CCCC2)c1 439552182 PRKMCDANQSCNIV-UONOGXRCSA-N 435.468 4.160 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1cccc(F)c1)C1CCCC1 439807148 FMUBAJOVYJGINZ-UHFFFAOYSA-N 429.448 4.043 5 20 IIBD COc1ccc([C@H](N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c2ccccc2OC)cc1 443456953 RPRXVSSNQCFSOO-UPVQGACJSA-N 447.491 4.097 5 20 IIBD C[S@@](=O)Cc1cccc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1 444035653 XQQHWVZSIUMBDH-SSEXGKCCSA-N 426.444 4.090 5 20 IIBD CSc1cccc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c(O)c2)c1[N+](=O)[O-] 444390543 GTEYYFQRTRBWHW-UHFFFAOYSA-N 429.498 4.337 5 20 IIBD CO[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1cccc(Cl)c1 446257345 FKQCBOYMXXKUOC-INIZCTEOSA-N 427.682 4.057 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(Cc3ccccc3)cs2)c(C(F)(F)F)c1 446972420 MDBPPTAWLKCJOX-UHFFFAOYSA-N 443.428 4.462 5 20 IIBD O=C(c1cc2ccccc2s1)N1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 447729338 OIOONRACLDJUDI-UHFFFAOYSA-N 429.885 4.061 5 20 IIBD Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)C)c1C 460587815 RFNRYGSVJREMGK-UHFFFAOYSA-N 436.516 4.201 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N2CC3(CCC3(F)F)C2)cc1[N+](=O)[O-] 461276455 DXPGYAAUMWFZKU-UHFFFAOYSA-N 432.448 4.419 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1 462556275 SXLDGEGPRSKQSZ-SUMWQHHRSA-N 445.324 4.348 5 20 IIBD CN(CCc1cccc(Br)c1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 462836563 TXAVHELENHKPAE-UHFFFAOYSA-N 442.107 4.435 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2sc(Cl)cc21 464705436 HYRSYDFPCINQOT-ZDUSSCGKSA-N 440.930 4.382 5 20 IIBD Cc1ccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC[C@@H]2CCCO2)c1 466639318 KODSXKWWJMZFNI-QAPCUYQASA-N 448.903 4.198 5 20 IIBD CN(CCCN1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 467674368 ABFATRLPNMLJDL-UHFFFAOYSA-N 430.936 4.418 5 20 IIBD COc1cc(C(=O)N2CCC(OC(C)(C)C)CC2)c([N+](=O)[O-])cc1OCc1cscn1 469357482 BBQWTQTVIBDAPK-UHFFFAOYSA-N 449.529 4.059 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(C)c(Oc2cc(C)ccn2)c1 469566500 FDMBPUPUJZARIF-KRWDZBQOSA-N 438.488 4.270 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCn3c(cc4ccc(Cl)cc43)C2)cc1OC 470414182 KECCEZKWBYNSJM-UHFFFAOYSA-N 429.860 4.266 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 470823238 AYTPPQDPUPMNOT-UHFFFAOYSA-N 437.427 4.315 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)cc1SC 470826651 QFBQLMGCJBEKSY-QGZVFWFLSA-N 429.542 4.062 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cc1SC 472529119 NNJQKJNJJOSZTI-LLVKDONJSA-N 446.460 4.314 5 20 IIBD C[C@H](c1nc(-c2cccs2)no1)N1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 473536918 YERULYYWZQGWTC-CQSZACIVSA-N 436.497 4.138 5 20 IIBD CC(C)Oc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c(Cl)c1 474403008 MWGFLLHYORULSW-HNNXBMFYSA-N 437.905 4.340 5 20 IIBD Cc1nc2ccc(Br)cn2c1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 476424978 QLTWTVUOTCCPJE-UHFFFAOYSA-N 429.274 4.118 5 20 IIBD CCOc1cc(NC(=O)[C@H](c2c(F)cccc2Cl)N(C)C)c([N+](=O)[O-])cc1OCC 476692420 MXYKPIZCSHHRAD-IBGZPJMESA-N 439.871 4.426 5 20 IIBD CC(C)(C(=O)Nc1nc2ccccc2n1CCCc1ccccc1)n1cc([N+](=O)[O-])cn1 476801308 HBOWIYYFHLDDIB-UHFFFAOYSA-N 432.484 4.148 5 20 IIBD COC(=O)c1csc(-c2cccc(CNC(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)c2)n1 478819835 CFGXECJFZMNBHV-CYBMUJFWSA-N 440.481 4.065 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1cccc(OC(F)F)c1 480678407 SFLOPIALIDXHET-GFCCVEGCSA-N 426.441 4.426 5 20 IIBD Cc1ccccc1OCc1nnc(SCCn2ccc([N+](=O)[O-])n2)n1-c1ccccc1 481271620 KTHYIYYOGJJHDM-UHFFFAOYSA-N 436.497 4.052 5 20 IIBD COC(=O)c1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc(Cl)c1F 481581071 VREOHVTWEQWUPS-QMMMGPOBSA-N 431.203 4.233 5 20 IIBD COc1ccc(Oc2ccc(NS(=O)(=O)c3c([N+](=O)[O-])ccc(C)c3C)cn2)cc1 481604099 BFNLKFUMAUINBZ-UHFFFAOYSA-N 429.454 4.208 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 481885962 JDRDXKZYQXUTEC-DHIUTWEWSA-N 448.567 4.322 5 20 IIBD CCOC(=O)c1csc(N(C)C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)n1 482563863 IUQYSKIEJGQJEW-UHFFFAOYSA-N 440.481 4.117 5 20 IIBD O=[N+]([O-])c1ccc2nc(CN3CCO[C@@H](c4cc(F)c(Cl)cc4Cl)C3)[nH]c2c1 482679098 NODKGTQADDBBGC-QGZVFWFLSA-N 425.247 4.491 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(CN2CCOCC2)c1 483154584 QTTFEKCCXYSTQA-UHFFFAOYSA-N 443.569 4.105 5 20 IIBD COC(=O)c1cc(-c2cccc(C(F)(F)F)c2)ccc1NC(=O)c1cc([N+](=O)[O-])nn1C 483969343 FIOUHYQVRWWYGA-UHFFFAOYSA-N 448.357 4.053 5 20 IIBD CCOc1cc(C(=O)N2CCOc3cc(Cl)c(Cl)cc32)c([N+](=O)[O-])cc1OC 484631618 ZUMRNWKPUDXVLW-UHFFFAOYSA-N 427.240 4.348 5 20 IIBD Cc1ccc(-c2ccc(Cl)cc2NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)o1 484649541 RINKVOKMGHCHNN-UHFFFAOYSA-N 427.800 4.363 5 20 IIBD O=C(CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Oc2ccccc2Cl)cc1 485021731 XVAIJZCIUDFJHR-UHFFFAOYSA-N 446.868 4.453 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Nc2cccc(OC)c2)CC1 489225767 MGHCQYHLSMACIP-UHFFFAOYSA-N 445.541 4.059 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccccc2OCCc2ccccc2)cc1[N+](=O)[O-] 493896555 HJXQUNUHNWATAA-SFHVURJKSA-N 447.491 4.341 5 20 IIBD CN1CCO[C@H]([C@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c2ccc(Cl)cc2)C1 494531974 YCRZAPJXHXCIIR-RBUKOAKNSA-N 443.853 4.429 5 20 IIBD C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CC[C@H](Nc2ccccc2)C1 495058384 JBAGMEHYOHVHJY-YJBOKZPZSA-N 437.525 4.232 5 20 IIBD CCc1cc(N2CCC[C@@H](NC(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)C2)ncn1 495275639 CRYLFGCFSZDUKP-HXUWFJFHSA-N 446.511 4.090 5 20 IIBD COc1ccc(Nc2ncc([N+](=O)[O-])cc2Br)cc1Oc1ccc(C)nn1 497514186 BJOORYKFRXTGOT-UHFFFAOYSA-N 432.234 4.395 5 20 IIBD CN(C)S(=O)(=O)c1ccc(CNc2cc([N+](=O)[O-])ccc2Nc2ccccc2)cc1 497760018 QHRQIDNJWFOCIG-UHFFFAOYSA-N 426.498 4.201 5 20 IIBD COc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1Oc1ccc(C)nn1 498317968 SBJOGDMZJDFOSZ-UHFFFAOYSA-N 449.467 4.347 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1)N(CCO)Cc1cccc(OCc2ccccc2Cl)c1 500451815 CFIWTRXWWRCWRU-UHFFFAOYSA-N 440.883 4.462 5 20 IIBD Cc1c(C(=O)NCC2(c3c(F)cccc3F)CCCC2)nnn1-c1cccc([N+](=O)[O-])c1 500597252 YLTGQTLGTGOYAK-UHFFFAOYSA-N 441.438 4.004 5 20 IIBD C[C@H]1C[C@]1(NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(Cl)cc1 503417059 TZPNXFOOGJVSFJ-BBATYDOGSA-N 438.709 4.474 5 20 IIBD O=C(Nc1cccc(F)c1)C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 505194745 CQVDNLBPNSGQOT-UHFFFAOYSA-N 427.457 4.440 5 20 IIBD CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N(C)CCc1ccccc1[N+](=O)[O-] 506754692 AHQRIACNEJYQOC-UHFFFAOYSA-N 435.933 4.388 5 20 IIBD Cc1c(Br)cc(C(=O)N(C)Cc2nccn2Cc2ccccc2)cc1[N+](=O)[O-] 510388544 HLQJXJIRXGNFEL-UHFFFAOYSA-N 443.301 4.183 5 20 IIBD CC(C)(CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCc2ccccc2C1 510835500 UJOBQQOGVHOVCR-UHFFFAOYSA-N 434.443 4.155 5 20 IIBD CN(Cc1ccccc1)Cc1cccc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 511123580 IZRHYMJDZUKNOY-UHFFFAOYSA-N 444.535 4.189 5 20 IIBD Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NC(=O)c1cc([N+](=O)[O-])n[nH]1 513303710 MQOSZOMPOOAYPB-QMMMGPOBSA-N 436.291 4.003 5 20 IIBD C[C@@H](NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccc(Oc2ccccc2)cc1 513571750 KNGVSCOVEDYGEB-OAHLLOKOSA-N 440.477 4.282 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCN(C(=O)CCCc2ccccc2)CC1 519194945 XYONQTLPYIKDNY-UHFFFAOYSA-N 425.529 4.049 5 20 IIBD CC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(CCC(C)C)cc3)cc2[N+](=O)[O-])CC1 519873256 AXMNUVROAYRVHA-UHFFFAOYSA-N 438.528 4.104 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 520245387 ITRGHNYNWQJTEA-HOTGVXAUSA-N 438.450 4.322 5 20 IIBD Cc1ccccc1-n1nc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)c2c1CCC2 522353176 LVTNWGQKPORZSC-UHFFFAOYSA-N 428.452 4.220 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc3cnn(C(C)C)c3c2)ccc1[N+](=O)[O-] 522588376 JGSMCAYWDNNMQH-HXUWFJFHSA-N 435.484 4.077 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)c1ccc(Oc2ccccc2)cc1 523967033 UHEFFTKWZYSZKY-HNNXBMFYSA-N 435.436 4.212 5 20 IIBD Cc1nc(-c2ccc(Br)cc2)c(NC(=O)COc2ccccc2[N+](=O)[O-])n1C 524645452 RXPPMCKVXGNPMA-UHFFFAOYSA-N 445.273 4.084 5 20 IIBD CC(C)c1ccc(C(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)cc1[N+](=O)[O-] 533150304 ZFLOZXLFAGOEIB-HOYKHHGWSA-N 447.495 4.357 5 20 IIBD COc1cc(CN(C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c(SC)cc1OC 533292023 PJYUWFBGJLLCFK-UHFFFAOYSA-N 430.486 4.016 5 20 IIBD CC(C)(C)Oc1ccncc1NC(=O)c1cc(I)cc([N+](=O)[O-])c1 534292744 NKISESYNYFUZAZ-UHFFFAOYSA-N 441.225 4.024 5 20 IIBD CS[C@H](CO)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 536411591 AAIPHHCCRQRFRU-PIGZYNQJSA-N 426.947 4.242 5 20 IIBD O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 536508687 FXJLZYLWDQNLBX-UHFFFAOYSA-N 444.850 4.360 5 20 IIBD CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C1 536721528 GGMROMVJCUAMMZ-MRXNPFEDSA-N 443.466 4.173 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2CCC[C@@H]2C2CCOCC2)c([N+](=O)[O-])c1 537392501 LOXIMKMWYUESGY-HXUWFJFHSA-N 438.480 4.008 5 20 IIBD CCOc1cc(CN2CCC[C@@H]2C)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 537631920 FNHVOARIYIRAQM-INIZCTEOSA-N 428.485 4.423 5 20 IIBD Cn1cc(CNc2cccc(I)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 538825525 WCGIFACKPBVOCX-UHFFFAOYSA-N 434.237 4.212 5 20 IIBD Cc1cc(CN2CCSCC2)ccc1NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 538833869 BJWMWIBGJFJZQW-UHFFFAOYSA-N 437.569 4.465 5 20 IIBD O=C(NCc1ccccc1CN1CCC[C@H]1CO)c1cc2ccccc2c2cccnc12 541087842 GLUULEGFMHADNT-QFIPXVFZSA-N 425.532 4.275 5 20 IIBD CSc1c(F)cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1F 541278455 PKAZITQQKDNPCJ-KRWDZBQOSA-N 435.452 4.147 5 20 IIBD CCN(CC)C(=O)CCC1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 542070237 PKVCANHROAHXPB-UHFFFAOYSA-N 447.579 4.042 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 542564357 ZWBLGMGFNFHZIT-MAUKXSAKSA-N 437.265 4.075 5 20 IIBD Cc1cc(Br)cc([N+](=O)[O-])c1OCc1ccc(S(=O)(=O)C(C)C)cc1 543763975 FAENTJPNLZYPQE-UHFFFAOYSA-N 428.304 4.427 5 20 IIBD CCN1CCN(c2ccc(Cl)cc2NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 544401328 MHXAPCDENDREKY-CQSZACIVSA-N 434.899 4.271 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(-c3ccc(Cl)c(S(=O)(=O)N4CCCCC4)c3)n2)cc1 544934609 ZXTCGPNCXGKIIP-UHFFFAOYSA-N 448.888 4.140 5 20 IIBD CCc1ccc(-c2nc(CS(=O)(=O)c3cc(Cl)ccc3Cl)no2)cc1[N+](=O)[O-] 545534376 UBELUXKDTFRYMR-UHFFFAOYSA-N 442.280 4.488 5 20 IIBD COc1ccccc1O[C@@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 557145947 GUQGBJOXRPCJKX-MRXNPFEDSA-N 435.274 4.050 5 20 IIBD CC(C)n1ncc2c(C(=O)N(C)CCc3ccccc3[N+](=O)[O-])cc(-c3ccco3)nc21 557416253 CKPJZFLSBHKRCZ-UHFFFAOYSA-N 433.468 4.495 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCc1nc(-c2ncoc2-c2cccc(C(F)(F)F)c2)no1 563775659 QMXLWSBOBTZEIX-UHFFFAOYSA-N 434.334 4.066 5 20 IIBD CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 565269197 HEMLLQBRVRPGGK-KNXBSLHKSA-N 438.484 4.156 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCCC[C@@H]1c1noc(-c2cnn(C)c2)n1 567240379 SCBUSWXGOBNPQM-GOSISDBHSA-N 439.476 4.090 5 20 IIBD COc1cccc(OC(F)(F)F)c1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 568968441 KSVCGJKCJYPBOJ-UHFFFAOYSA-N 436.289 4.033 5 20 IIBD CC(C)NC(=O)c1ccc(N[C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)c([N+](=O)[O-])c1 569045902 GRYJFTSVKPOQDG-SBUREZEXSA-N 441.528 4.470 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 573707591 CXFMHQGHHFYBHJ-GOSISDBHSA-N 447.944 4.040 5 20 IIBD COC(=O)c1cc(NC(=O)c2cccc(SC)c2[N+](=O)[O-])c(C)cc1Br 576502071 MDCIZWAYASUOHP-UHFFFAOYSA-N 439.287 4.427 5 20 IIBD CCOc1ccc(NC(=O)CN[C@@H](C)c2ccc(Oc3cccnc3)cc2)c([N+](=O)[O-])c1 576547619 JYTRTSCMTXVEKC-INIZCTEOSA-N 436.468 4.470 5 20 IIBD CCCCOCCOCc1cccc(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c1 577836511 BJBYOVCEKMJFDA-UHFFFAOYSA-N 443.500 4.355 5 20 IIBD Cc1nc2ccc(Br)cn2c1-c1nc(CCNc2ccccc2[N+](=O)[O-])no1 581718853 IZMHKFZYFADQPA-UHFFFAOYSA-N 443.261 4.018 5 20 IIBD COc1ccc(CN[C@H]2CC[C@](O)(C(F)(F)F)C2)cc1OCc1ccc([N+](=O)[O-])cc1 589938221 JWEQBQBVJAUFHA-OXJNMPFZSA-N 440.418 4.118 5 20 IIBD O=C(c1cccc(NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1)N1CCSCC1 600853861 ILEPFUMMHBWXLG-UHFFFAOYSA-N 425.432 4.415 5 20 IIBD COc1cc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1NC(C)=O 603775252 YRTKUQPZEKWHLO-UHFFFAOYSA-N 443.403 4.311 5 20 IIBD CNC(=O)c1ccc(OC)c(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)c1 603775683 XFBLAZSAAJWURU-UHFFFAOYSA-N 437.477 4.367 5 20 IIBD COc1cc2c(cc1OC)CN(c1c([N+](=O)[O-])cnc3ccc(Br)cc13)CC2 603837827 KPRLGGQMPJNBBC-UHFFFAOYSA-N 444.285 4.485 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1cnc(OC(C)C)c(Cl)c1)c1ccccc1[N+](=O)[O-] 603933278 ZRDUWGZTEZGJDV-KRWDZBQOSA-N 449.891 4.243 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 604465511 ILRNVRPMLSVRSJ-MRXNPFEDSA-N 431.514 4.027 5 20 IIBD CCOC(=O)c1cc(C(=O)N(C)C[C@H]2CCCO[C@H]2c2ccccc2)cc([N+](=O)[O-])c1 604519278 YYCYOECEMMJIPG-UTKZUKDTSA-N 426.469 4.011 5 20 IIBD COc1cc(C(=O)NCCCc2cnn(C)c2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 608850275 MDFDLRSXEFLLDT-UHFFFAOYSA-N 444.875 4.145 5 20 IIBD O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc([N+](=O)[O-])cc2c1OCCO2 608936757 AOYBSIUIGZBWRH-RKDXNWHRSA-N 442.312 4.005 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H](C)c2cn(C)nc2C)cc1[N+](=O)[O-] 609025947 VXZUIDBZAVXESS-CYBMUJFWSA-N 438.509 4.081 5 20 IIBD Cc1ccnc(NC(=O)CN(C)C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)c1 609044771 NKKUQWQZKXODFW-UHFFFAOYSA-N 430.530 4.147 5 20 IIBD COc1cc(CCNC(=O)Nc2ccc(F)cc2C(F)(F)F)c([N+](=O)[O-])cc1OC 609079594 HINBSXSWKHSQBX-UHFFFAOYSA-N 431.342 4.134 5 20 IIBD CC[C@H](C)[C@@H](NCc1ccc(OC)c([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 609288338 ZOIOZSAJXRDNJF-GAJHUEQPSA-N 440.544 4.347 5 20 IIBD COc1ccc(C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)cc1[N+](=O)[O-] 609309604 HDMBJQKFEGNGJL-QGZVFWFLSA-N 429.231 4.263 5 20 IIBD C[C@@H](NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1nc2ccccc2[nH]1 609857203 AXGBFCFIFSTGJZ-SNVBAGLBSA-N 445.266 4.455 5 20 IIBD CCCc1n[nH]c(C(=O)Nc2ccc(C(=O)Nc3ccc(OCC)cc3)cc2)c1[N+](=O)[O-] 609985877 OFQQRFDQTKWWBO-UHFFFAOYSA-N 437.456 4.174 5 20 IIBD CSC[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 610003426 DICATYJVZSAGEG-SFHVURJKSA-N 426.947 4.243 5 20 IIBD CC[C@@](C)(NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-])c1nccs1 610048682 AGDIOSRIYHWDAW-LJQANCHMSA-N 448.526 4.151 5 20 IIBD O=C(CCCc1nc(-c2cccs2)no1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 610210233 CDTDENWJFSBTIN-LJQANCHMSA-N 430.511 4.303 5 20 IIBD CS(=O)(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cc1 611199146 XRFKBXMRRZEYHR-UHFFFAOYSA-N 435.527 4.253 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCCC[C@@H]1/C=C/c1cccs1 611957744 ZAUOJXVDAWZLBJ-XBOKISCZSA-N 427.526 4.259 5 20 IIBD O=C1NCCc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)cc21 612473410 UDKGMDGFJCGPOV-UHFFFAOYSA-N 425.510 4.415 5 20 IIBD COc1ccc(COCc2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)cc1 612956168 MRGZGDXDMLLWKM-UHFFFAOYSA-N 434.246 4.057 5 20 IIBD COC(=O)Cc1cccc(NC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)n1 616511191 XHWDSKNTQRNZTE-UHFFFAOYSA-N 437.477 4.417 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)no1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C 619740382 VTGPUECAVRRBEB-UHFFFAOYSA-N 436.447 4.253 5 20 IIBD Cc1c(NC(=O)NCc2ccc(CCNC(=O)OC(C)(C)C)cc2)cccc1[N+](=O)[O-] 726070061 BWQJLJLJOPPUEU-UHFFFAOYSA-N 428.489 4.292 5 20 IIBD COc1ccc(CNC(=O)Nc2ccc3c(c2)CCN3C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 726700083 XJUYFQOPLPMJNQ-UHFFFAOYSA-N 442.472 4.223 5 20 IIBD CCc1cc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 729185137 KRAOJBFWAZXEGD-MRXNPFEDSA-N 441.532 4.307 5 20 IIBD CN(C)CC1CCN([C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)CC1 729265544 HKAANOXVJVZBEK-OAQYLSRUSA-N 430.936 4.202 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 731209141 UVLAHMFSECUOPH-UHFFFAOYSA-N 436.415 4.186 5 20 IIBD Cc1cc(Br)cc(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1N 733018787 SEGZBRHWCQWRTG-SNVBAGLBSA-N 447.245 4.216 5 20 IIBD O=C(COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)Nc1ccc2c(c1)OC1(CCCC1)O2 736865044 BUGUJGRXZVZTFN-UHFFFAOYSA-N 432.816 4.085 5 20 IIBD O=C([C@@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1)N1CCc2c1cccc2[N+](=O)[O-] 737581835 KBGUEXXAMMQNRO-ZAGZISDZSA-N 439.899 4.232 5 20 IIBD COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 737954687 GJAWIHFZCWRWLN-KRWDZBQOSA-N 434.876 4.352 5 20 IIBD COc1cc(N2CCC(OC(=O)Cc3ccccc3C(F)(F)F)CC2)ccc1[N+](=O)[O-] 739371142 RHFOOJFYSAYYAW-UHFFFAOYSA-N 438.402 4.377 5 20 IIBD COc1cc(N2CCC(OC(=O)c3ccc(OC(F)(F)F)cc3)CC2)ccc1[N+](=O)[O-] 739385351 OCWVWSUQWMKGLF-UHFFFAOYSA-N 440.374 4.328 5 20 IIBD Cc1ccccc1-n1nc(C)c(CN(C)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)c1C 742147032 YLZLIAXQCPRZID-UHFFFAOYSA-N 431.500 4.054 5 20 IIBD Cc1nn(CCC(=O)Nc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)c(C)c1[N+](=O)[O-] 742887787 QLVZRVAIIVOWDW-ZDUSSCGKSA-N 431.493 4.023 5 20 IIBD COc1cc(C(=O)NC[C@@](C)(O)c2ccco2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 743655374 YFXVGSNRHKCEOS-OAQYLSRUSA-N 446.843 4.280 5 20 IIBD C[C@@H](OC(=O)C1(c2ccc(F)cc2)CCOCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 744858083 JBGKEXKSXYYHTO-CQSZACIVSA-N 441.415 4.137 5 20 IIBD C[C@@H](c1nc(-c2cccs2)no1)N1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 746674417 WGLQWJWQSSEQFG-ZDUSSCGKSA-N 433.921 4.239 5 20 IIBD C[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H](O)c1c(F)cccc1Cl 748392390 VWVHBBSLKRITMK-BMLIUANNSA-N 435.864 4.363 5 20 IIBD O=C(Nc1ccccc1)Nc1cccc2c1CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 750067004 NAACNOSVROGRQI-QHCPKHFHSA-N 432.480 4.331 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@H](c1cccc(Br)c1)C(F)(F)F 750224059 SJTNMPPBFBXAEC-CQSZACIVSA-N 436.184 4.099 5 20 IIBD C[C@H](OC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1 750963015 HDUAVLAGTLFDLM-VIFPVBQESA-N 427.638 4.195 5 20 IIBD O=C(NCc1cccc(NC(=O)C2CCCC2)c1)c1cc([N+](=O)[O-])ccc1Br 751101851 YNFVWKWBOOMCTB-UHFFFAOYSA-N 446.301 4.416 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)Oc2cccc(C(=O)N3CCc4ccccc4C3)c2)c1 751182604 JUYIQQMZMUGARG-UHFFFAOYSA-N 432.432 4.021 5 20 IIBD Cc1ccc(O[C@@H](C)C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)c(Br)c1 751651125 DQFDXDAJBSSKDE-NSHDSACASA-N 435.230 4.318 5 20 IIBD COC(=O)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccc(Cl)cc1 752374762 MOGGWSKGTRMMOZ-HNNXBMFYSA-N 441.665 4.045 5 20 IIBD Cc1ccc([C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] 752416490 JHKLSVRXJPOXSA-LPHOPBHVSA-N 427.501 4.216 5 20 IIBD COc1cc(NC(=O)C(C)(C)C)c(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC 752745219 LZSNKPGRKKHUQO-AWEZNQCLSA-N 443.500 4.396 5 20 IIBD Cc1c(C(=O)Nc2cc(F)c(Br)cc2F)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 753298239 LQGXNLDSJJJUIO-UHFFFAOYSA-N 430.161 4.413 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N(Cc2ccc[nH]2)c2ccc(N(C)C)cc2)cc1OC 754393365 IUAURJVDZOOBOW-UHFFFAOYSA-N 438.484 4.243 5 20 IIBD COC(=O)c1sc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)nc1C1CCCC1 754563989 MSTNZLFWURJKLZ-UHFFFAOYSA-N 448.457 4.273 5 20 IIBD O=[N+]([O-])c1cccc2c1CCN2Cn1nc(-c2ccccn2)n(Cc2ccco2)c1=S 754776986 XUFASYJFCFVUMZ-UHFFFAOYSA-N 434.481 4.046 5 20 IIBD COC1CCN(c2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2C(F)(F)F)CC1 755241549 LRGVLMVLRUJGQX-UHFFFAOYSA-N 439.390 4.187 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)Nc1ccc(CCN2CCSCC2)cc1 757210877 RXDDOROQAFILDW-UHFFFAOYSA-N 434.949 4.161 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Br)N1CCc2cc(Br)cc(F)c21 764317827 KHYUHYZZJJQYPZ-UHFFFAOYSA-N 444.054 4.462 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(N2CCC(O)(c3ccccc3Cl)CC2)cc1Cl 764913822 OVLZQVSPJDMKMH-UHFFFAOYSA-N 425.268 4.176 5 20 IIBD CCc1ccc2c(c1)[C@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1)CCO2 765174190 GUZSZEUEEHTXPB-RBBKRZOGSA-N 438.480 4.137 5 20 IIBD C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@H](O)c1c(F)cccc1Cl 765181907 AEAMQCMMJLWFFC-ZIDLFYJRSA-N 449.635 4.141 5 20 IIBD C[C@@H](NCCNS(=O)(=O)Cc1ccccc1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 765277143 CIZCVVIETJSAQD-MRXNPFEDSA-N 445.566 4.094 5 20 IIBD Cc1ccc(-c2nnc(S)n2CCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 765397455 MBPSTLQCFWUQKQ-UHFFFAOYSA-N 437.525 4.032 5 20 IIBD O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC(O)(c2ccccc2C(F)(F)F)CC1 765621306 GSSFKORYYXTSRX-UHFFFAOYSA-N 428.794 4.391 5 20 IIBD CC[C@](C)(CC(=O)O)NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 767052219 QVEFFRQHNLFCIT-HXUWFJFHSA-N 436.848 4.422 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)OCc1ccc(-c2ccsc2)cc1 768697799 HHJUOKMKHXPFIG-UHFFFAOYSA-N 427.434 4.267 5 20 IIBD Cc1c(C(=O)N2CCC(Cc3ccc(F)c(F)c3)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 769647121 YCRNIMWBSXRUHV-UHFFFAOYSA-N 433.411 4.493 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCc1cccc(OCc2ccccn2)c1 769891190 JOQDCPNQBAENAP-UHFFFAOYSA-N 447.900 4.009 5 20 IIBD O=C(Oc1ccccc1C(=O)N1CCCCC1)c1cc(Br)cc([N+](=O)[O-])c1 769897308 JUOPLMRLSLNEJS-UHFFFAOYSA-N 433.258 4.203 5 20 IIBD Cc1cc(C)c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c(Br)c1 770671927 HUBQOPMGRADSMX-UHFFFAOYSA-N 434.290 4.063 5 20 IIBD Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] 771469009 NRRXIVORSNDDCR-KRWDZBQOSA-N 439.903 4.452 5 20 IIBD Cc1cc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)n([C@H]2CCN(Cc3ccccc3)C2)n1 772270298 WFNKAWTXBRIUOP-RYGYDFEPSA-N 431.496 4.199 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2COC(C)(C)C)c([N+](=O)[O-])c1 773704937 OSTQYCQOGOHYBF-CQSZACIVSA-N 430.457 4.103 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc2c1N(Cc1cc([N+](=O)[O-])cc3c1OCOC3)CC2 775768636 WJXGPQNJIYMMSW-UHFFFAOYSA-N 427.457 4.371 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Oc1cccc(NC(=O)OC(C)(C)C)c1 778008590 BBFZEPHENYMSLL-UHFFFAOYSA-N 426.422 4.157 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cccc2c1CCCN2C(=O)OC(C)(C)C 778543652 SYZLBJKDTSVOEJ-UHFFFAOYSA-N 441.484 4.221 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1csc(Cc2cccc(F)c2)n1 780185801 ZWCFUKNKZIFVSG-UHFFFAOYSA-N 440.412 4.188 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 780889132 OUDHSPXUYOLVLB-UHFFFAOYSA-N 443.793 4.451 5 20 IIBD COc1ccc2oc([C@H](C)NC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(C)c2c1 781632710 WODCSDREFOMJCE-ZDUSSCGKSA-N 427.413 4.376 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(OC(=O)[C@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)cc2)cc1 781964269 XWABLVMTUZUTSD-JOCHJYFZSA-N 445.431 4.254 5 20 IIBD COc1ccc2[nH]cc(C3=CCN(CCC(=O)Nc4cc([N+](=O)[O-])ccc4F)CC3)c2c1 782512166 KOEVDSQMHBIKJE-UHFFFAOYSA-N 438.459 4.342 5 20 IIBD CNC(=O)c1cc(Cl)ccc1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 782565642 ONDSYMWRJKWVQT-UHFFFAOYSA-N 439.855 4.439 5 20 IIBD COc1ccc2cc(CN(C)C(=O)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)ccc2c1 783302287 FLQONKBDDAVRNA-UHFFFAOYSA-N 427.844 4.007 5 20 IIBD C[C@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(S(=O)(=O)C(F)F)cc1 786928470 RXJKLEXJROHEOI-JTQLQIEISA-N 438.374 4.461 5 20 IIBD O=C(OCc1ccc(Cl)nc1C(F)(F)F)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 787645563 ZAXBACFAMFBGPU-UHFFFAOYSA-N 426.738 4.205 5 20 IIBD CC(C)c1c(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])cnn1-c1ccccc1Cl 791624625 PAWRAJGTJSFJCB-UHFFFAOYSA-N 442.859 4.387 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)NCCc1ccc(NC(=O)OC(C)(C)C)cc1 791639122 MLWSSGOINAMSKC-UHFFFAOYSA-N 429.473 4.313 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Oc1cc(C)ccc1NC(=O)OC(C)(C)C 795146829 QEGTVGDJCSOCJL-UHFFFAOYSA-N 438.458 4.027 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccc(Br)cn1 795845998 IMDKRCBMSNIDLN-MRVPVSSYSA-N 429.068 4.006 5 20 IIBD COc1c(C(=O)OC[C@H]2CCC(=O)N(C)[C@@H]2c2cccc(Cl)c2)cccc1[N+](=O)[O-] 796724002 GTIPWKZTUCADON-AUUYWEPGSA-N 432.860 4.023 5 20 IIBD O=c1ccccn1C[C@H](NCc1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 800314459 VSESWWODXBNSDK-SFHVURJKSA-N 428.286 4.050 5 20 IIBD O=C1C[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)CN1c1ccc(F)c([N+](=O)[O-])c1 801092308 MRWGBFGEKBFCSZ-XEYPJELSSA-N 437.471 4.024 5 20 IIBD CN(CC(=O)OC[C@@H]1CCO[C@H]1c1ccccc1)c1cc(Br)ccc1[N+](=O)[O-] 802766326 BLOOSQFIDPYLKK-YWZLYKJASA-N 449.301 4.115 5 20 IIBD CC(=O)Nc1cccc(N=c2scc(-c3cnccn3)n2Cc2cccc([N+](=O)[O-])c2)c1 803177956 OIVVBUXGSGUXFW-UHFFFAOYSA-N 446.492 4.154 5 20 IIBD O=[N+]([O-])c1cc(Cl)c2c(cnn2CN2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)c1 808240448 VCKXXHCDCFVNHV-JKSUJKDBSA-N 432.868 4.017 5 20 IIBD O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)Nc1ccc2c(c1)oc1ccccc12 808968744 WEKYSJNYAMFPHV-UHFFFAOYSA-N 442.431 4.273 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811217061 PICYZARERVLISY-UHFFFAOYSA-N 429.410 4.139 5 20 IIBD CC(C)(C)OC(=O)NCCC[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)c1ccccc1 811869600 SISHTZWOMBHTFB-INIZCTEOSA-N 426.477 4.096 5 20 IIBD COC(=O)[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccc(OC)c(Cl)c1 813178427 FBYFIYUJFWXLSX-AWEZNQCLSA-N 447.658 4.208 5 20 IIBD O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813424974 CIZWWOHKJBEUEZ-SNVBAGLBSA-N 430.238 4.436 5 20 IIBD Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O 813522962 AQPHDGSCDMFYOV-UHFFFAOYSA-N 438.831 4.090 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 813795065 DHCQHFBRMCLNEA-SFHVURJKSA-N 446.548 4.101 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 814428124 JLSHLHXPXCHHTE-IRXDYDNUSA-N 447.532 4.103 5 20 IIBD C[C@@H](OC(=O)c1ccc(NS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1)c1ccccc1 842651630 RPSAZTDRDQSHDT-CQSZACIVSA-N 442.449 4.019 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCCCN1C(=O)OCc1ccccc1 915867869 FTDDLRJPTNELHJ-QGZVFWFLSA-N 449.410 4.326 5 20 IIBD Cc1cc(N2CCCC2)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 918150220 CVEJHCJPAMIJQH-UHFFFAOYSA-N 440.319 4.067 5 20 IIBD CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 918551726 VRBMGYPODBWJLM-LBPRGKRZSA-N 440.258 4.052 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Br)C1 1116651700 RFTMHWZSTMJSGU-STQMWFEESA-N 428.327 4.092 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1CNC(=O)OC(C)(C)C 1256684621 AQEVCAQCBQEYBN-UHFFFAOYSA-N 442.516 4.004 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1nnc([C@H]2COc3ccccc3O2)o1 1322030285 SLHAUCNLNATUER-MRXNPFEDSA-N 436.346 4.164 5 20 IIBD NC(=O)c1cnc(C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)c(Cl)c1 1324808764 HMRVZQVMPNNIFI-UHFFFAOYSA-N 434.886 4.207 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)CC1 1325723227 CJZZKBRCGBBHEB-UHFFFAOYSA-N 434.493 4.116 5 20 IIBD O=C1COc2ccc([N+](=O)[O-])cc2N1Cc1nnc(-c2sc3ccccc3c2Cl)o1 1328189260 HCASVVIBFPRCEJ-UHFFFAOYSA-N 442.840 4.439 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)n(CCCOc2ccc(F)cc2)n1 1337000671 FHNLAMJAIOMAIC-UHFFFAOYSA-N 427.436 4.002 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@@H]3CCC=CO3)CCC2)cc1)c1ccc([N+](=O)[O-])cc1F 1790622282 QLUDEMUSEQHPCS-FQEVSTJZSA-N 439.443 4.174 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)C3CCCC3)CCC2)cc1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 1790825416 PWBYIEVWWNVBCU-UHFFFAOYSA-N 447.495 4.409 5 20 IIBD Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCC(F)(F)F)C3)cc(Cl)cc1[N+](=O)[O-] 1800710219 ZHECQSNAYOIJPA-BTTYYORXSA-N 447.841 4.151 5 20 IIBD Cc1ccc(C(=O)N2CCCC3(CCN(C(=O)c4ccc([N+](=O)[O-])cc4F)CC3)C2)s1 1808096375 FLXXZAYAEJYXJZ-UHFFFAOYSA-N 445.516 4.262 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CCC2CCC2)[nH]n1)c1cccc(F)c1[N+](=O)[O-] 1821167200 FAIYLIJCTRQMLT-SFHVURJKSA-N 443.479 4.343 5 20 IIBD CC(C)[C@H]1CC[C@H](C(=O)N2CCCC23CN(C(=O)c2cccc(F)c2[N+](=O)[O-])C3)CC1 1846079868 WDKSEVYZCFCEEM-QAQDUYKDSA-N 431.508 4.013 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)Cc1coc2cc(C)c(C)cc12 9436246 ZLHKIWRJHXIWNW-AWEZNQCLSA-N 426.425 4.079 5 20 IIBD C[C@H](OC(=O)c1ccc(Br)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 9605575 RSCSUMYZZHLBMU-ZETCQYMHSA-N 433.667 4.256 5 20 IIBD C[C@@H](Sc1nnc(-c2ccccc2Cl)n1C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 9810084 HPJJYBNDGBEZNH-SNVBAGLBSA-N 435.868 4.302 5 20 IIBD O=C(COC(=O)c1ccccc1[N+](=O)[O-])Nc1cc(-c2ccccc2)nn1-c1ccccc1 20867266 RPUQKYILULTITG-UHFFFAOYSA-N 442.431 4.243 5 20 IIBD O=C(COC(=O)c1ccc(COc2ccc(F)cc2)o1)Nc1cc(Cl)ccc1[N+](=O)[O-] 21374928 VGYFPOMOYWBCLG-UHFFFAOYSA-N 448.790 4.355 5 20 IIBD O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F)c1ccc([N+](=O)[O-])o1 25132200 QNQHPBPYRSUIPV-UHFFFAOYSA-N 439.808 4.033 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1)CCC2)c1ccccc1[N+](=O)[O-] 31716261 RHEXEERRDCTCHD-HRAATJIYSA-N 440.496 4.050 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N(Cc1cccc(Br)c1)C1CC1 33045217 COOAACJZBIQJMC-UHFFFAOYSA-N 441.285 4.348 5 20 IIBD O=C(NCCOc1ccc(Br)cc1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 62402210 JBBAXPIABZOCMA-UHFFFAOYSA-N 446.204 4.159 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1cccc(Cn2cnc3ccccc32)c1 63677804 QDADJOBHBKJDJS-UHFFFAOYSA-N 439.475 4.264 5 20 IIBD Cc1cc(=O)c(C(=O)Nc2ccc3nc(C4CC4)sc3c2)nn1-c1ccccc1[N+](=O)[O-] 63979895 JANZWJRJXPMORH-UHFFFAOYSA-N 447.476 4.189 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCc1ccc(Br)s1 64419357 HHQUMALAHKMMOU-SECBINFHSA-N 433.711 4.198 5 20 IIBD Cc1ccccc1C1(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 64739906 KCQZFPOASWARSE-MRXNPFEDSA-N 432.904 4.189 5 20 IIBD Cc1c(C(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)nnn1-c1cccc([N+](=O)[O-])c1 97167121 SSAFTJLHBQDVTF-JOCHJYFZSA-N 431.427 4.142 5 20 IIBD CC(C)n1c(C2CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)CC2)n[nH]c1=S 97555139 KCEUKIWMGSHGLY-UHFFFAOYSA-N 444.561 4.050 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 220340321 TXQIMWJGEDVIIS-UHFFFAOYSA-N 425.438 4.030 5 20 IIBD O=C(Nc1ccc(Br)cc1)C1CCN(c2c([N+](=O)[O-])ccc3c2CCN3)CC1 302898414 RTKQSZQPGWWSFA-UHFFFAOYSA-N 445.317 4.180 5 20 IIBD CCOc1cc(C(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)c([N+](=O)[O-])cc1OC 303397544 ZGYIHYCKNRTJMU-UHFFFAOYSA-N 448.838 4.292 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccccc3F)nc2)cc1[N+](=O)[O-] 427581437 XWIYDHMMSPODHT-CQSZACIVSA-N 438.415 4.046 5 20 IIBD Cn1cc(CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])Cc2ccc(Cl)cc2)cn1 430267018 ZPZRLLVPNWBZLY-UHFFFAOYSA-N 448.310 4.276 5 20 IIBD O=C(Nc1ccc2nc(C3CC3)oc2c1)c1ccc([N+](=O)[O-])cc1I 430470704 IDESGECAMXRGFM-UHFFFAOYSA-N 449.204 4.470 5 20 IIBD Cc1cc(=O)c(C(=O)N2CC3(CCCC3)c3cccc(F)c32)nn1-c1ccccc1[N+](=O)[O-] 432556090 WWANQMMTCXASED-UHFFFAOYSA-N 448.454 4.060 5 20 IIBD COC(=O)c1ccc(CN(C)C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc1 436089845 PIEMFCCPENTNHC-UHFFFAOYSA-N 436.414 4.018 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N(CCc1ccccc1)[C@H]1CCOC1 437969105 KVURMDFKUDNDHC-INIZCTEOSA-N 438.402 4.010 5 20 IIBD CC(C)c1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2N(C)C2CCN(C)CC2)cc1[N+](=O)[O-] 438943311 OCNUWDPHNCQBCU-FGZHOGPDSA-N 430.593 4.127 5 20 IIBD COc1cc(C(=O)N(Cc2ccc(F)cc2)c2cncc(C)c2)c([N+](=O)[O-])cc1OC 441420405 LYXFAHKKWLZLBK-UHFFFAOYSA-N 425.416 4.302 5 20 IIBD CCCN(C(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1cccc([N+](=O)[O-])c1 441441248 BZXMUZXWCUCQFT-UHFFFAOYSA-N 445.541 4.216 5 20 IIBD COc1ccc(NC(=O)CCN2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c([N+](=O)[O-])c1 443663900 ZFDLSVCXJFSZDL-CQSZACIVSA-N 442.447 4.092 5 20 IIBD CC(C)(C)OCc1cc(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)no1 444332081 YHCLLTKTSKFDNL-UHFFFAOYSA-N 441.434 4.193 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)NCC1(c2cc(Cl)ccc2OC)CCOCC1 444909266 YPERIDFGWFINSY-UHFFFAOYSA-N 449.891 4.135 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)NCC1(c2cccc(C(F)(F)F)c2)CC1 445021436 ZJVPEPOPTDGMNB-UHFFFAOYSA-N 433.390 4.021 5 20 IIBD CCc1nc(-c2nc(Cc3cc(OC)ccc3[N+](=O)[O-])no2)nn1-c1ccccc1Cl 445579160 LQMDVBMADDYUCT-UHFFFAOYSA-N 440.847 4.041 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 446020999 NYYYCRYEYUNRBX-QGZVFWFLSA-N 446.301 4.220 5 20 IIBD CCOc1cc(NC(=O)C(=O)Nc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])cc1OCC 446352452 UTGGOCSSKZLJBJ-UHFFFAOYSA-N 429.473 4.267 5 20 IIBD CC[C@@H](NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1)c1cccc([N+](=O)[O-])c1 446676339 KMBQIQGGQPMZAI-SJORKVTESA-N 448.405 4.272 5 20 IIBD O=C(Cc1noc(-c2cc(Cl)cc([N+](=O)[O-])c2)n1)Nc1cccc(C(F)(F)F)c1 460157942 YIPFEVNKKXDSDM-UHFFFAOYSA-N 426.738 4.498 5 20 IIBD Cc1ccc(-n2nc(C(=O)N3CCS[C@H]3c3ccc([N+](=O)[O-])cc3)c3c2CCC3)cc1 460366622 RTHZRUCGYOFOGQ-QHCPKHFHSA-N 434.521 4.465 5 20 IIBD CCn1nc(C)c(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c1C 461298869 GMCNUQVGGIXZBB-UHFFFAOYSA-N 444.495 4.462 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC2(CCCCCC2)C1 464671062 OBMXWKMCKSNAGR-HXUWFJFHSA-N 447.601 4.409 5 20 IIBD COc1cc(CNC[C@]2(C)CCO[C@H]2C2CC2)c([N+](=O)[O-])cc1OCc1ccccc1 466451514 JWJRUZLLDGJBNO-ZEQRLZLVSA-N 426.513 4.477 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1Oc1cc(F)cc(F)c1 469171929 GXUNZROZCOZGTG-ZDUSSCGKSA-N 441.390 4.422 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(OC)c(Br)c(OC)c1 471104098 LZCYSQKZZVMIRQ-UHFFFAOYSA-N 425.235 4.026 5 20 IIBD CC(=O)N(c1nc(Cn2ccc(C)c([N+](=O)[O-])c2=O)cs1)c1c(C)cc(C)cc1C 471375017 BIYZSKGYZOYGRO-UHFFFAOYSA-N 426.498 4.180 5 20 IIBD O=C(NCc1nc(-c2cc3ccccc3o2)cs1)c1cc2c(cc1[N+](=O)[O-])OCCO2 477925782 JPLKQMKCPZTVFG-UHFFFAOYSA-N 437.433 4.166 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(OC2CCCC2)c(F)c1 478050947 ZUKFDJPIYUGFMI-UHFFFAOYSA-N 449.866 4.006 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 478234182 MHRWWSSDUYDRRB-UHFFFAOYSA-N 444.850 4.213 5 20 IIBD O=C(NCCc1cccc(OCC(F)(F)F)c1)c1ccc(Br)cc1[N+](=O)[O-] 478524425 WVHKRNBUDOTOQQ-UHFFFAOYSA-N 447.207 4.271 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 479264466 VLJSCFTWBQMJGU-MRXNPFEDSA-N 443.656 4.364 5 20 IIBD COc1cc(OCC(=O)Nc2cc(C(F)(F)F)ccc2Br)ccc1[N+](=O)[O-] 484808692 YTIYDNLRXVSAGF-UHFFFAOYSA-N 449.179 4.402 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 484947086 OJZHEAGFKPWLNB-MSOLQXFVSA-N 445.972 4.321 5 20 IIBD COC(=O)c1c(F)ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1F 485172443 SAQCVYSNOVCEEE-UHFFFAOYSA-N 442.374 4.491 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN(Cc2nc(O)c3c(C)c(C)sc3n2)CC1 485825642 OHLLHFTYGDPDTR-OAHLLOKOSA-N 441.557 4.109 5 20 IIBD C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 486132747 INZROOLIBXVMMJ-JKSUJKDBSA-N 427.526 4.265 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(-c2ccc(C)cc2C)o1 488781976 GZKIICALNDBUEM-CYBMUJFWSA-N 428.470 4.390 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CC)[C@H](c1ccc(C)cc1)n1cncn1 489131455 SPUBGVFTYMNYCV-FPOVZHCZSA-N 439.541 4.405 5 20 IIBD Cc1ccc(S(=O)(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)cc1[N+](=O)[O-] 490035908 DLGOCVNLCBPGQN-SCLBCKFNSA-N 444.431 4.073 5 20 IIBD COc1cc(OC)c(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc1Br 490970112 JEHDOUPCFTYYTF-UHFFFAOYSA-N 427.276 4.349 5 20 IIBD COc1c(S(=O)(=O)Nc2cccc(C)c2C)cc(Br)c(C)c1[N+](=O)[O-] 491603814 GORUTHSDQMMRGP-UHFFFAOYSA-N 429.292 4.092 5 20 IIBD Cc1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1Oc1cccnc1 493918591 ZXBIRINCESSHDJ-INIZCTEOSA-N 434.452 4.215 5 20 IIBD C[C@@H](NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1nc(-c2ccccc2)cs1 494897660 KODNMODTMSTSSG-CQSZACIVSA-N 426.502 4.023 5 20 IIBD CC[C@@H](NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F 498369063 IQUPLLUQRDVGMN-QUCCMNQESA-N 434.418 4.239 5 20 IIBD CN(C)c1cc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)ccn1 500422640 JKTVBHZHOMIOHU-UHFFFAOYSA-N 442.479 4.090 5 20 IIBD C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 500841127 OVZBDMCDRKODQT-ZBFHGGJFSA-N 437.418 4.101 5 20 IIBD COc1cc(CCC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)ccc1OCC(F)(F)F 502507129 SBUYKJOTRKNSIW-CYBMUJFWSA-N 426.391 4.355 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccccc1OC1CCCC1 502602673 TWBAMMCQIKKNCY-UHFFFAOYSA-N 425.441 4.243 5 20 IIBD CC(C)(C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1csc(-c2cccs2)n1 503623116 YTBSSSZTNOVQMD-CYBMUJFWSA-N 443.554 4.165 5 20 IIBD CCCn1c(Sc2ccc(C(=O)NC)cc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 507131148 DDWUAJGLERBNNH-UHFFFAOYSA-N 431.905 4.428 5 20 IIBD COc1cc(C(=O)N2CCO[C@@H]3CCC[C@H]32)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 509547724 AHEWVOVGDCMTAK-NVXWUHKLSA-N 432.860 4.443 5 20 IIBD COc1cc(C(=O)N2C[C@H](C)N(C)C[C@@H]2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 509622297 YYIFKVYHKRYQOM-KBPBESRZSA-N 433.892 4.214 5 20 IIBD CCN(CC)C(=O)COc1ccc(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1Cl 510777797 CGFRAKAFAGYCMQ-CQSZACIVSA-N 448.907 4.378 5 20 IIBD CCOc1cc2c(cc1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)O[C@@H](C)C2 510812699 GDWPVFOICHCSKY-NSHDSACASA-N 437.399 4.240 5 20 IIBD O=C(NC1CCCCC1)NC1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 511751993 BVFYAPBOWHUYFE-UHFFFAOYSA-N 443.573 4.315 5 20 IIBD Cc1ccc2oc(C(=O)Nc3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)cc2c1 511846249 CWXLHVXNVRSURV-UHFFFAOYSA-N 443.462 4.191 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1 511943091 QURRKIIVKZMSCN-UHFFFAOYSA-N 437.930 4.467 5 20 IIBD Cn1ccnc1[C@@H](NCCCc1nc(-c2ccncc2)cs1)c1cccc([N+](=O)[O-])c1 513697914 UIIRIRMSOWVPPA-NRFANRHFSA-N 434.525 4.159 5 20 IIBD COc1cc(CCNC(=O)Nc2ccc(-c3nc(C)cs3)cc2)c([N+](=O)[O-])cc1OC 513966264 OBJWFWYLGZWWAI-UHFFFAOYSA-N 442.497 4.408 5 20 IIBD C[C@H]1C[C@H](C)CN(Cc2ccccc2CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 517866818 ZHBDCXCYSUHRDD-OALUTQOASA-N 425.529 4.158 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCC[C@H](N2CCCC2=O)C1 521158350 MSNUIBLVEHLTHE-KRWDZBQOSA-N 443.887 4.268 5 20 IIBD CCCN(CC(=O)N(C)C)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 521884593 HYLWQWCWTMMQRJ-UHFFFAOYSA-N 435.933 4.340 5 20 IIBD C[C@@H](NC(=O)c1n[nH]c2ccccc12)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 522671506 PFZPAYRNBBZNTM-CQSZACIVSA-N 445.435 4.020 5 20 IIBD COc1cccc(OCC(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)c1 522817831 ZMLGZOMPESWYGO-UHFFFAOYSA-N 434.408 4.067 5 20 IIBD Cc1ccc(-c2csc(NC(=O)CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])n2)cc1 524614071 PCOIYAQRHJYUMS-UHFFFAOYSA-N 430.873 4.049 5 20 IIBD O=C(N[C@H]1C[C@H]1C1CCCCC1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 525600261 OTUJGBQUJNDXCL-SFTDATJTSA-N 443.525 4.094 5 20 IIBD Cc1ccccc1NC(=O)[C@@H]1CCc2ccccc2N1C(=O)Cc1cccc([N+](=O)[O-])c1 525654672 NBLLKRDXYNFLAI-QHCPKHFHSA-N 429.476 4.432 5 20 IIBD O=C(C[C@H]1CCCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1cccs1 531491196 ZAKMJJUBFIRQIT-QGZVFWFLSA-N 427.526 4.137 5 20 IIBD COc1ccc(-c2ccc(CNc3ccc(N4CC[C@@H](N(C)C)C4)cn3)o2)c([N+](=O)[O-])c1 532984814 GFZATALWWLHDSS-QGZVFWFLSA-N 437.500 4.011 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cccc(-c2ccc3c(c2)OCCO3)n1 535390662 UAKMUAOQNGFIJH-UHFFFAOYSA-N 430.420 4.091 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O 537150998 DWGTXFBFOPXXIU-QGZVFWFLSA-N 433.917 4.284 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)c1 537383907 FEQKIHWLPQCGMX-HNNXBMFYSA-N 446.809 4.194 5 20 IIBD COc1cc(CN2CC=C(c3ccc4c(c3)OCCO4)CC2)c([N+](=O)[O-])cc1OC(F)F 537843915 YOGJSMVGWGKZLZ-UHFFFAOYSA-N 448.422 4.265 5 20 IIBD CCOc1ccccc1NC(=O)[C@@H](NCc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 542213108 VUDRFXJBFHURIJ-QHCPKHFHSA-N 435.480 4.472 5 20 IIBD CCn1c(S[C@@H](Cc2ccc(Cl)cc2)C(=O)OC)nnc1-c1ccc([N+](=O)[O-])cc1 542764170 DPYFYXDQMREPAL-KRWDZBQOSA-N 446.916 4.403 5 20 IIBD COCC[C@@H](N[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(C)o1 544473404 KNYJLMKFDQXRDX-RHSMWYFYSA-N 444.513 4.314 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1 546956979 XFTNJEWZYCGPCB-LLVKDONJSA-N 439.902 4.458 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)c1 548977939 CGTTXRMSQRYGSX-UHFFFAOYSA-N 441.465 4.047 5 20 IIBD CCCC(C)(C)N(Cc1cccs1)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 549021877 MLKGCPBYTAVUER-UHFFFAOYSA-N 435.571 4.455 5 20 IIBD CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C[C@H](C)[S@@]1=O 553065899 ZLCAQWUNSRCLBL-NQHWOYTFSA-N 449.960 4.232 5 20 IIBD Cc1ccc(C(C)(C)CNC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c(C)c1 553300243 ZDOPEXGCPVGGMI-UHFFFAOYSA-N 439.541 4.199 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@H](C)c3nc4ccccc4n3C)cc2[N+](=O)[O-])C1 554808230 GPWKWQFWAPISCT-BRWVUGGUSA-N 435.528 4.455 5 20 IIBD O=C(c1cccs1)N1CCCC[C@@H]1c1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 554816276 JQAKPUWRSYBMQQ-QGZVFWFLSA-N 437.481 4.479 5 20 IIBD O=C1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)[C@H](C2CC2)N1 568670172 PARPRMWOJPKZER-PXNSSMCTSA-N 445.928 4.186 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CCCc2c1[nH]c1ccc(Br)cc21 577775288 UZXOJEIEUHLHKE-INIZCTEOSA-N 444.285 4.411 5 20 IIBD C[C@@H](CN[C@@H](c1cccc([N+](=O)[O-])c1)c1nccn1C)Oc1ccccc1Br 579141490 RHZNNOAFCLBAFI-LIRRHRJNSA-N 445.317 4.237 5 20 IIBD Cc1ccc(-c2noc([C@H](C)NCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)n2)cc1F 579695479 DHJRIIKGFXUENI-NSHDSACASA-N 433.827 4.035 5 20 IIBD Cc1cc(C(F)(F)F)ncc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 589557697 KNJDDNLXUXFLHE-UHFFFAOYSA-N 429.298 4.137 5 20 IIBD C[C@H](c1cccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1)N1CCOCC1 591254631 WHVJUTHMFGIKGY-LJQANCHMSA-N 441.531 4.187 5 20 IIBD CN(Cc1ccc2c(c1)OCCO2)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 602153134 KOLGWKFMFIOAPE-UHFFFAOYSA-N 433.464 4.250 5 20 IIBD COc1cccc(OC)c1Oc1ccc(CNc2cc3ncnc(O)c3cc2[N+](=O)[O-])cn1 603869503 OGJTVMIXGSMDFD-UHFFFAOYSA-N 449.423 4.060 5 20 IIBD COc1cc(CCNC(=O)c2c[nH]cc2-c2ccc(Cl)s2)c([N+](=O)[O-])cc1OC 603940373 HZPNJAYDPWOOTO-UHFFFAOYSA-N 435.889 4.295 5 20 IIBD COc1cc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2F)ccc1OCc1ccncc1 603964708 DYFBAJGQPMRKJE-CQSZACIVSA-N 425.416 4.208 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 603999338 QBSZPPKTSAKKRD-HNNXBMFYSA-N 436.295 4.070 5 20 IIBD COc1ccc(CNC(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)cc1[N+](=O)[O-] 604085457 KHPBCLLZTPDPRQ-UHFFFAOYSA-N 438.415 4.317 5 20 IIBD COc1ccc(Cl)c2c1N(C(=O)C1CCN(c3ccccc3[N+](=O)[O-])CC1)CCC2 609065223 IPBBODPCOMHMKY-UHFFFAOYSA-N 429.904 4.453 5 20 IIBD O=C(Nc1ccc(-c2nc3c(F)cccc3[nH]2)cc1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 609443958 ARQUUFSTGWQIFY-UHFFFAOYSA-N 443.398 4.110 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 609529496 PXULCLRUORYJCD-UHFFFAOYSA-N 433.443 4.421 5 20 IIBD O=C(NCC1Cc2ccccc2C1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 609755539 LXBIWQCDGQOATA-UHFFFAOYSA-N 447.457 4.361 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(NC(=O)CN2CCCCCC2)cc1 609784517 XWCUADKMKWHPKZ-UHFFFAOYSA-N 444.919 4.244 5 20 IIBD O=C(Nc1ccccc1-c1noc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n1)c1ccccn1 612927824 ODWABTGGVFGCDY-UHFFFAOYSA-N 440.419 4.364 5 20 IIBD CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)C1(C)C 613261740 XTZAKSBAFTWSAB-ZBFHGGJFSA-N 435.527 4.061 5 20 IIBD CCOC(=O)CC[C@@H]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 614860414 UIQVTRRWGRYMQP-AWEZNQCLSA-N 442.462 4.155 5 20 IIBD O=C(N[C@@H]1C[C@@H]1c1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1Br 726517558 AAXUPXLAFWXZNP-IUODEOHRSA-N 440.091 4.406 5 20 IIBD CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 727987967 NFXNLRPLUNRLEI-XVDDLASSSA-N 446.554 4.223 5 20 IIBD Cc1sc2ncn(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c(=O)c2c1-c1ccccc1 728163296 YEKCBDFLJCBRET-UHFFFAOYSA-N 446.444 4.472 5 20 IIBD O=[N+]([O-])c1ccc(-c2cnn(CN3CCC[C@@H](c4nc(-c5ccc(F)cc5)no4)C3)c2)cc1 728900023 ABTHQIFOOPJEKR-GOSISDBHSA-N 448.458 4.485 5 20 IIBD Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)OCc1cc([N+](=O)[O-])ccc1OC(C)C 729116429 PYQVMYQKUGPAQU-UHFFFAOYSA-N 440.500 4.265 5 20 IIBD O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1cc([N+](=O)[O-])ccc1N1CCCC1 731348793 CLQLWNQIYCFCBC-UHFFFAOYSA-N 432.484 4.042 5 20 IIBD Cc1cc(C)n(CCOC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 731691901 OLWRVYDFNSVMFJ-UHFFFAOYSA-N 427.844 4.150 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N(Cc1ccco1)Cc1cccs1 733186488 XZFFCRVWMMVWRZ-UHFFFAOYSA-N 428.438 4.452 5 20 IIBD CC[C@H](Nc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-])c1ccccc1OC 733187408 RYNQVNROOQEWIE-SFHVURJKSA-N 433.530 4.341 5 20 IIBD CC(C)(C)OC(=O)N1CCC(COC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 735210048 LRCBDIXEYQDBIZ-UHFFFAOYSA-N 442.896 4.207 5 20 IIBD Cc1c(Cl)cccc1OCC(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 736904810 FAVQBXXWGQKAMU-LLVKDONJSA-N 427.240 4.159 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N(C)Cc2ccc(CN(C)C)cc2)cc1[N+](=O)[O-])c1ccccn1 738519096 CYQPPWNIQUYTPV-GOSISDBHSA-N 447.539 4.497 5 20 IIBD COc1cc(N2CCC(OC(=O)c3ccc(Br)s3)CC2)ccc1[N+](=O)[O-] 739383648 AGWBHDIHAHLWSK-UHFFFAOYSA-N 441.303 4.253 5 20 IIBD CC(C)C[C@@H](C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccccc1 741051032 NKLPCSBSNHBYQL-QGZVFWFLSA-N 442.468 4.068 5 20 IIBD COc1ccc(OCCOC(=O)c2ccccc2C(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1 741815724 UDRTUDISQOHRRG-UHFFFAOYSA-N 439.395 4.209 5 20 IIBD COc1ccc(CNC(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1[N+](=O)[O-] 742567082 LBSSQWNOISTAQE-QRWLVFNGSA-N 443.500 4.122 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cc1 742890280 BQYQOVCSRYDVPA-ZDUSSCGKSA-N 443.456 4.204 5 20 IIBD C[C@H](CC(=O)c1cccc(Br)c1)C(=O)OCCOc1cccc([N+](=O)[O-])c1 745228635 YXHAQGQJQSRLAF-CYBMUJFWSA-N 436.258 4.188 5 20 IIBD COc1ccc(CSCC(=O)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)cc1[N+](=O)[O-] 746249021 IYHSIRUYJRLIFE-AZUAARDMSA-N 448.516 4.090 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 747422253 UFSZWBQTTYQMNN-OLZOCXBDSA-N 445.438 4.379 5 20 IIBD CCCCCCNC(=O)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 748255729 LOFZFRCPYSEPFQ-LJQANCHMSA-N 444.576 4.134 5 20 IIBD CC(C)(C)OC(=O)Nc1ccccc1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 748330420 AQYBQKJHQBJJHL-UHFFFAOYSA-N 449.847 4.391 5 20 IIBD Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)Cc2cccc([N+](=O)[O-])c2C)o1 748476498 LFKGMRHVVCQYIG-UHFFFAOYSA-N 434.408 4.203 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc(F)c(F)cc2Br)cccc1[N+](=O)[O-] 750197226 WJVRPPSBUYKYIB-SECBINFHSA-N 443.200 4.128 5 20 IIBD CCCCN1C(=O)CC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H]1c1ccccc1OC 750549175 PMPYTDIADNRKQR-VGOFRKELSA-N 443.475 4.461 5 20 IIBD COC(=O)c1c(C)cccc1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1-c1cccs1 750984739 JWSRPURRTMHBQE-UHFFFAOYSA-N 433.463 4.186 5 20 IIBD O=C(Nc1c(-c2cccs2)nc2ccccn12)c1cc([N+](=O)[O-])ccc1N1CCOCC1 751249033 ZDMPBANKJRSFAY-UHFFFAOYSA-N 449.492 4.060 5 20 IIBD O=C(OCc1nc(C(F)(F)F)cs1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 751671196 IRUPNNHFHCFYAK-UHFFFAOYSA-N 430.282 4.368 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1c(C)[nH]c2ccc(Cl)cc12 751927731 PLWPNLLDDBOJQH-LLVKDONJSA-N 431.832 4.231 5 20 IIBD CNC(=O)N1CCN(C(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)CC1 754355023 KMIWELPQMVOVQD-UHFFFAOYSA-N 427.504 4.031 5 20 IIBD C[C@H](C(=O)NC[C@@H](O)c1cccc(OCc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1F 755512085 GMAQUYMLCYLWIR-QMHKHESXSA-N 438.455 4.266 5 20 IIBD CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)c1 758353221 DCIUHCQQVAFNNQ-UHFFFAOYSA-N 434.424 4.281 5 20 IIBD Cc1nc(-c2ccc(NC(=O)c3cc(I)cc([N+](=O)[O-])c3)cc2)co1 765583689 IDUHRBKZIFNBBD-UHFFFAOYSA-N 449.204 4.415 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OC[C@@H]1CCCN(C(=O)c2ccc(C)o2)C1 765605764 YNSNVKKYFJYANR-RTBURBONSA-N 428.485 4.161 5 20 IIBD COc1ccc(Br)c(CC(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 768929234 XCORWAMGLFGSHZ-UHFFFAOYSA-N 427.682 4.220 5 20 IIBD O=C1CCSc2ccc(C(=O)O[C@H](c3cccnc3)c3ccccc3[N+](=O)[O-])cc2N1 776135183 RJEXLDISZDUPNS-OAQYLSRUSA-N 435.461 4.371 5 20 IIBD C[C@H](OC(=O)CCc1nc(O)c2c3c(sc2n1)CCCC3)c1ccccc1[N+](=O)[O-] 776241585 DVNLCFWUJWMHPG-LBPRGKRZSA-N 427.482 4.421 5 20 IIBD COc1cc(C(=O)Nc2c(Cl)ccc3nsnc23)c([N+](=O)[O-])cc1OC(F)F 776963179 VSLZFZUBWQCOFG-UHFFFAOYSA-N 430.776 4.115 5 20 IIBD Nc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 778145007 GPUHHNMQGZUPJG-HNNXBMFYSA-N 438.267 4.004 5 20 IIBD COc1cc(COC(=O)c2cccc([C@@H]3CCOC3)c2)c([N+](=O)[O-])cc1OCC(F)F 780078250 IQMVDCMVURFBLP-OAHLLOKOSA-N 437.395 4.108 5 20 IIBD O=C(NN1Cc2ccccc2C1=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 782070619 UIYOFFSYARRMRQ-UHFFFAOYSA-N 436.855 4.161 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)c1ccnc(Cl)c1I 786892936 RSTGNNDDDCJONL-VIFPVBQESA-N 446.628 4.474 5 20 IIBD O=C(NC[C@H](O)c1cc(F)cc(Cl)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 787816059 SMULEKRGLAHHQD-IBGZPJMESA-N 446.812 4.215 5 20 IIBD NC(=O)c1cc(-c2ccccc2)sc1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790626206 DAGAZIXOLJYMPO-UHFFFAOYSA-N 433.848 4.396 5 20 IIBD COC(=O)[C@@H](Cc1ccc(C)cc1)S[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 794457646 SYIQZZRHCQVKGZ-FZKQIMNGSA-N 436.917 4.401 5 20 IIBD Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)Cn1c2ccccc2c(=O)c2ccccc21 797089992 VJNZKDUAUUBWKE-ATIYNZHBSA-N 437.543 4.298 5 20 IIBD O=C(COC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccc(OCc2ccccc2)cc1 798130327 PAMVJKGDGGQQEJ-NVNXTCNLSA-N 432.432 4.369 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)NCc2csc(-c3ccco3)n2)c(Cl)cc1Cl 809827020 ZFIXTCDWRDDSOS-UHFFFAOYSA-N 434.282 4.097 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCN(C(=O)c2cc3occc3s2)CC1 809915239 MMZUMYMIGUOKIQ-UHFFFAOYSA-N 434.861 4.046 5 20 IIBD O=C(O[C@@H]1CCN2CCC[C@H]2C1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 810846908 JOKPDZIPRBWRIG-DLBZAZTESA-N 441.450 4.000 5 20 IIBD C[C@H]1CN(c2ccc([N+](=O)[O-])c(N3CCC(F)(F)[C@H](C)C3)c2[N+](=O)[O-])CCC1(F)F 811848884 YLEODDOEVWJVDI-NWDGAFQWSA-N 434.390 4.466 5 20 IIBD C[C@@H](OC(=O)c1cc(Cl)c(F)cc1N)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 815257367 JSNFJJYNBWESEB-SSDOTTSWSA-N 449.744 4.172 5 20 IIBD COc1cc(NC(=O)COC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c(OC)cc1Cl 815407022 DVUUMLWVPKZMDQ-UHFFFAOYSA-N 443.239 4.023 5 20 IIBD C[C@H](OC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc2ncccc12 856620412 MYARDPPHQFIGDB-UONOGXRCSA-N 425.466 4.194 5 20 IIBD CCOC(=O)c1cc(C(=O)O[C@@H](C(=O)Nc2cccc(C)c2C)C(C)C)cc([N+](=O)[O-])c1 877019788 RPSJCVLPANSACD-HXUWFJFHSA-N 442.468 4.208 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)O[C@H](C(=O)Nc2cccc(C)c2C)C(C)C)c1 915439967 NSXIKFSHQSNNFK-QFIPXVFZSA-N 428.485 4.495 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NCc2ccccc2CN2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] 917077645 OGGKLWXWAAFLNN-HOTGVXAUSA-N 442.516 4.394 5 20 IIBD COc1cc(-c2noc(COC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)n2)ccc1OC(F)F 917218561 UCDWLRWVYUCIFN-WTKPLQERSA-N 447.350 4.011 5 20 IIBD CC(C)c1ccccc1NC(=O)COC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 917258120 NFCOCVCWFXUCLW-UHFFFAOYSA-N 440.374 4.455 5 20 IIBD CCC(=O)Nc1cccc(C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)c1 917591014 RCKRJQDETAPGGR-UHFFFAOYSA-N 437.456 4.044 5 20 IIBD CN(C(=O)c1ccccc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CCCCC1 917807783 ZLVHLGGPKTUQAS-UHFFFAOYSA-N 447.495 4.438 5 20 IIBD O=C(CCC(=O)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 918638122 OPLIMWAJTRTFFJ-FQEVSTJZSA-N 438.480 4.186 5 20 IIBD C[C@H](OC(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 919443547 QQCNDQBOERRUHY-UWVGGRQHSA-N 445.230 4.378 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c(Br)c1 919523489 ZSPSEWIROJLPLW-NSHDSACASA-N 446.257 4.331 5 20 IIBD O=[N+]([O-])c1ccc(NC(=S)NC[C@H]2CCN(c3cccc(Br)c3)C2)cc1 920079401 ZCBUJUPGGYDBHX-CYBMUJFWSA-N 435.347 4.170 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 920201448 WNRFWJRWGHEPNK-LLVKDONJSA-N 444.900 4.496 5 20 IIBD O=C(Nc1cccnc1Cl)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 920927519 QOXUVRAVKKJKJE-UHFFFAOYSA-N 429.786 4.016 5 20 IIBD CCOc1ccc([C@H](C)NCCNC(=O)c2ccccc2C(F)(F)F)cc1[N+](=O)[O-] 1116466885 LYRADMXQNDDBKR-ZDUSSCGKSA-N 425.407 4.093 5 20 IIBD Nc1c(C(=O)Nc2ccccc2NCC(F)(F)F)cc(Br)cc1[N+](=O)[O-] 1321252293 SXFBZNXBSDTOPJ-UHFFFAOYSA-N 433.184 4.166 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@H]3CCCC[C@@H]3N(C)C)c([N+](=O)[O-])c2)c(C)c1 1321708336 RNSHEOPZHDFCIS-FPOVZHCZSA-N 446.573 4.297 5 20 IIBD COc1ccc(NC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccsc2)c([N+](=O)[O-])c1 1349876189 XJDGSNUSWABFRQ-HXUWFJFHSA-N 427.482 4.433 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3cccc4nc[nH]c34)cc2)CCC1)c1ccc([N+](=O)[O-])o1 1788429528 LJRZRJHUJLTNBF-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)n4cccc4)CCC3)cc2)ncc1[N+](=O)[O-] 1788767249 GCBJEHGLYIEWBC-QGZVFWFLSA-N 447.495 4.109 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2ccccc12 1797290371 OCQSEMQFVBFKKY-BMUSQUIPSA-N 445.475 4.306 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc3ccoc23)[nH]n1)c1ccc([N+](=O)[O-])[nH]1 1820366757 HOJMYBYSWDOFEL-QGZVFWFLSA-N 448.439 4.012 5 20 IIBD C/C=C(/C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(F)ccc([N+](=O)[O-])c2C)CC1 1831351360 YWJSSWXVIIVXKH-UBQIGYKKSA-N 431.508 4.242 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccccc1C(=O)N1CCCCC1 14729712 KTXHPJJGBWMKAV-UHFFFAOYSA-N 439.515 4.420 5 20 IIBD C[C@H](OC(=O)c1c2ccccc2cc2ccccc12)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 15798028 DWLPKXGTOBSCGU-AWEZNQCLSA-N 425.444 4.347 5 20 IIBD CCOc1ccc([C@H]2CCCN2C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1 16141968 CKIQAUMHGWUNQN-LJQANCHMSA-N 439.468 4.045 5 20 IIBD O=C(Nc1ccc(N2CCc3sccc3C2)nc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 29818802 QASCLLPPLRILFO-UHFFFAOYSA-N 435.509 4.441 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1ccc(-c2nc3ccccc3s2)o1 32440549 LQPSAZUFRSZTAV-UHFFFAOYSA-N 429.479 4.251 5 20 IIBD COc1c(C)cnc(CN(C)C(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1C 58958622 XNKNLJSFZHPABQ-IYBDPMFKSA-N 440.544 4.370 5 20 IIBD CS(=O)(=O)Cc1cccc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 59002919 HWGRCQQTTUWVLV-UHFFFAOYSA-N 439.493 4.004 5 20 IIBD CCOc1ccc2nc(N(Cc3ccccc3)C(=O)Cn3ccc([N+](=O)[O-])n3)sc2c1 59265863 RQJZJUAYUOCKLD-UHFFFAOYSA-N 437.481 4.033 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC(c3nc(C)no3)CC2)cc1 65104108 MMHJWLKSPYNLTJ-UHFFFAOYSA-N 438.440 4.107 5 20 IIBD C[C@H](OC(=O)COc1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 104548873 TYPZSICNJYPYHC-JTQLQIEISA-N 446.765 4.216 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc3oc(C(C)C)nc3c2)ccc1[N+](=O)[O-] 110368312 OOIICOFLRRZEHV-LJQANCHMSA-N 436.468 4.411 5 20 IIBD Cc1cc(Sc2nnc(NCC(F)(F)F)s2)nc(-c2ccc([N+](=O)[O-])cc2)n1 301130927 YHQGCRTVAAKOSS-UHFFFAOYSA-N 428.421 4.337 5 20 IIBD C[C@H]1C[C@@H](c2ccc(F)cc2)CN1c1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl 301322757 IJGBQPNNGWYLFF-DZGCQCFKSA-N 428.851 4.316 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCN(Cc3ccccc3)C3(CCCCC3)C2)s1 301933153 NGKCLWAYGVGULA-UHFFFAOYSA-N 449.598 4.085 5 20 IIBD COc1cc(C(=O)N2CCN(C)C[C@@H]2C(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 303720222 AUJSFULCTXZNDK-GOSISDBHSA-N 447.919 4.461 5 20 IIBD O=C1[C@@H](Nc2ccc(F)cc2OCCC(F)(F)F)CCN1c1cccc([N+](=O)[O-])c1 409859565 QBKBWDOKTYNBDM-INIZCTEOSA-N 427.354 4.283 5 20 IIBD O=C(Nc1ccc(Oc2ccccc2F)nc1)c1cc([N+](=O)[O-])ccc1SCCO 428034445 CZCHWBCYZJFPAN-UHFFFAOYSA-N 429.429 4.258 5 20 IIBD O=C(NCc1nccn1CCCc1ccccc1)c1cc(Br)cc([N+](=O)[O-])c1 431485883 VVSJYUSYQHTYSE-UHFFFAOYSA-N 443.301 4.117 5 20 IIBD CCc1ccc([C@@H](c2cccnc2)N(CC)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 431913015 RSXBXAAGHLAYMU-QHCPKHFHSA-N 439.537 4.494 5 20 IIBD O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1 436973522 YAJRQPCGZTVDFY-UHFFFAOYSA-N 438.267 4.098 5 20 IIBD CC(C)[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1nc(-c2ccncc2)no1 437259677 BFMPZXOKSBYYPA-OAHLLOKOSA-N 435.362 4.186 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1ccc(OC2CCC2)c(F)c1 438667786 LWDXCZROMMDRIJ-UHFFFAOYSA-N 429.448 4.041 5 20 IIBD CC(C)c1ccc(C(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1[N+](=O)[O-] 439413245 WLONYZIMHGOBLN-UHFFFAOYSA-N 430.892 4.258 5 20 IIBD C[C@@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1cccc(OC(F)(F)F)c1 440822709 QDAAJGNKVPYJKZ-GFCCVEGCSA-N 434.374 4.385 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCCN(C2CCCC2)CC1 444071577 GDVSVALBMJVGSD-UHFFFAOYSA-N 425.479 4.050 5 20 IIBD CCn1cc(C2CCN(C(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)CC2)cn1 444097329 SUBMYBJDZXAGJQ-UHFFFAOYSA-N 436.462 4.196 5 20 IIBD C[C@@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1nc(Cc2ccccc2)no1 444177040 SHGXKKISVHNFEE-CQSZACIVSA-N 442.450 4.285 5 20 IIBD COc1ccc(CNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)nc1 444412513 QVRCNIAWZCIETJ-UHFFFAOYSA-N 426.860 4.194 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cc(N4CCCC4=O)ccc3Cl)n2)c1 445573058 UJKAIKKBNAPHRT-UHFFFAOYSA-N 428.832 4.024 5 20 IIBD Cc1nc(COc2ccc(Cl)cc2)sc1-c1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 445620837 LGISYSCYQIDNGU-UHFFFAOYSA-N 446.876 4.351 5 20 IIBD COc1ccc(NC(=O)CN[C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 445997388 XEHKOOGYYRWNFM-IRXDYDNUSA-N 437.418 4.487 5 20 IIBD CCOCCCn1c(CC2CCCCC2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 460772617 RJKVTRWUOXJRGW-UHFFFAOYSA-N 427.549 4.298 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)Nc2ncc(-c3ccc(Cl)cc3)s2)cc1[N+](=O)[O-] 461086634 QTVNQPGINTUUJS-UHFFFAOYSA-N 437.886 4.028 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3C[C@H]4CC[C@H]3c3ccccc34)n2C[C@H]2CCCO2)c1 461134761 ZAYKJHXSGHMUHD-JUXOCIIHSA-N 431.496 4.471 5 20 IIBD COc1cc(CNCc2ncc(-c3ccccc3)cn2)c([N+](=O)[O-])cc1OCC(F)(F)F 461430276 XHZFVTKGQJYHCH-UHFFFAOYSA-N 448.401 4.291 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1CNc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 462242926 HOHRRKZTRSKNBR-IRXDYDNUSA-N 427.501 4.244 5 20 IIBD CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 464987215 QYQHFCWIBIBLTH-GOSISDBHSA-N 436.537 4.312 5 20 IIBD COc1ccc(CN2CCCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2=O)cc1 468680436 DCGAEYJUDJXJSQ-UHFFFAOYSA-N 435.480 4.098 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(OCc2ccccc2C)c1 468893084 JTDGELWXYVTGFB-FQEVSTJZSA-N 437.500 4.353 5 20 IIBD Cc1cc(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)ccc1NC(=O)c1ccco1 470338130 OPIAECGGGKQXTJ-UHFFFAOYSA-N 436.424 4.044 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 476365648 OZOFYONRUJPETL-DOTOQJQBSA-N 426.256 4.032 5 20 IIBD O=C(NCc1cc(Br)ccc1Br)NCc1ccccc1[N+](=O)[O-] 476864120 YEEDFLHZVORTRG-UHFFFAOYSA-N 443.095 4.119 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(CN3CCC[C@H](C)C3)cc2)cc1OC 478539401 XRBRRLKYMNNFJY-KRWDZBQOSA-N 441.528 4.164 5 20 IIBD CNC(=O)COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)c(C)c1 478652134 YMDFWIGXQNYSCA-UHFFFAOYSA-N 431.514 4.028 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N(Cc3cccc(O)c3)CC3CC3)cc2)c(C)c1[N+](=O)[O-] 479638787 HDBDSIKZXTYZSO-UHFFFAOYSA-N 434.496 4.214 5 20 IIBD COCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cn1 484414686 IGOBYRBOIJTKPP-UHFFFAOYSA-N 425.466 4.419 5 20 IIBD COc1ccc2c(c1NC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-])CCC2 484984549 FWHLSWHHCATITA-SFHVURJKSA-N 441.484 4.297 5 20 IIBD C[C@H](Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)c1cccc(S(=O)(=O)N(C)C)c1 485392083 FBHYPQXWMUJVJU-AWEZNQCLSA-N 444.488 4.219 5 20 IIBD C[S@@](=O)Cc1cc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])ccc1Cl 485472683 XKESBQKZQHBHRA-HSZRJFAPSA-N 437.724 4.203 5 20 IIBD Cc1nn(-c2ccccc2)cc1CCCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 486334285 VCHAOJAXBHEVQD-UHFFFAOYSA-N 441.919 4.217 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1nc(-c2cccc(Cl)c2)no1 486776537 HMZSEYIAYFUXMB-UHFFFAOYSA-N 432.889 4.383 5 20 IIBD COC(=O)c1cc(NC(=O)NC2(c3cccc(Br)c3)CC2)c(C)c([N+](=O)[O-])c1 486854057 AZOIPEOUKSIKFO-UHFFFAOYSA-N 448.273 4.263 5 20 IIBD CSc1cccc(C(=O)N2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)c1[N+](=O)[O-] 486965342 IUNKOTQUPGLCRH-UYAOXDASSA-N 425.554 4.443 5 20 IIBD CCn1c(S[C@H](C)C(=O)N2CCCc3ccccc32)nnc1-c1ccc([N+](=O)[O-])cc1 489396578 WLZNMWOUMNIWDD-OAHLLOKOSA-N 437.525 4.333 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cccc(S(=O)(=O)C2CCCCC2)c1 491576479 XIQCXKPSPKKZFY-UHFFFAOYSA-N 441.509 4.364 5 20 IIBD CCN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](c1ccc(C)cc1)c1cccnc1 496538565 VNWGDDZJJIPDRH-DEOSSOPVSA-N 446.507 4.056 5 20 IIBD COC(=O)c1cc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c(OC)c(OC)c1 497249471 SYYBXVFNBKMYMK-UHFFFAOYSA-N 429.454 4.134 5 20 IIBD CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc([N+](=O)[O-])cc1Cl 500661687 FRJYXYLTRSJAIF-UHFFFAOYSA-N 444.702 4.334 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] 500919394 OIVWEGUHMGCOBG-AWEZNQCLSA-N 449.529 4.389 5 20 IIBD CSc1cccc(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)c1[N+](=O)[O-] 501662441 MBETWPMXULWUIU-LBPRGKRZSA-N 427.251 4.082 5 20 IIBD O=C(NCc1ccc(COC2CCOCC2)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 502068546 MUZUQORCYHSWFL-UHFFFAOYSA-N 426.494 4.435 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)N(C)C)cc1OCC 503396507 MLFLOLOBEGTTEF-UHFFFAOYSA-N 431.514 4.450 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H](c1ccc(Br)cc1)N1CCCC1 503441734 GNZABRXEVHJJDV-IBGZPJMESA-N 432.318 4.153 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)c1 503447156 LOZIIWPUNOMWTD-UHFFFAOYSA-N 445.475 4.378 5 20 IIBD COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 506099498 MNFWIXSLGDORGR-CQSZACIVSA-N 449.467 4.382 5 20 IIBD COc1ccc(-c2ccc(CN3CCC(C(=O)Nc4cc(C)on4)CC3)o2)c([N+](=O)[O-])c1 506274343 UUQDRPAGDITJEM-UHFFFAOYSA-N 440.456 4.011 5 20 IIBD Cc1c(CNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)sc2ccc(Cl)cc12 508374376 GNQYKLOQKSZCMK-CQSZACIVSA-N 447.900 4.285 5 20 IIBD O=C(N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F)c1cc2c(cc1[N+](=O)[O-])OCCO2 508485260 XBYBJJXSKYMKOW-BBRMVZONSA-N 436.386 4.451 5 20 IIBD CCN(CC)C(=O)COc1cccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 509248976 VSTVMXYSUYDVQJ-UHFFFAOYSA-N 442.516 4.285 5 20 IIBD O=C1c2cccc3cccc(c23)C(=O)N1CCCC(=O)N1CCCc2ccc([N+](=O)[O-])cc21 509950579 BFTPYTDJLQAECG-UHFFFAOYSA-N 443.459 4.104 5 20 IIBD Cc1cccc(C)c1OC[C@@H](C)NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 510323876 BTWMPILIXZCZCX-QGZVFWFLSA-N 436.512 4.271 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@H](n2ncc3ccccc32)C1 511724766 YXAICYOIZYWUHF-INIZCTEOSA-N 447.417 4.239 5 20 IIBD CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 513390500 QHQZUPFTEZDTBD-NVXWUHKLSA-N 445.903 4.417 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O 513497758 BCYOEEBGVYAFOM-KUHUBIRLSA-N 445.516 4.328 5 20 IIBD Cc1cc(C(=O)NC2CCCCC2)ccc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 515632895 IWTXTDZNKKNRMV-UHFFFAOYSA-N 431.514 4.075 5 20 IIBD CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 516751655 GBZYPXJLHRAXHB-UHFFFAOYSA-N 445.324 4.356 5 20 IIBD Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)C2)cc1 518785861 YFSWOPHEHQIDJQ-ZWKOTPCHSA-N 439.516 4.208 5 20 IIBD CCOC(=O)c1cc(-c2nc(-c3cc(Cl)c(OC)c(OC)c3)no2)cc([N+](=O)[O-])c1 518875944 LPPZXNYZYCAGNR-UHFFFAOYSA-N 433.804 4.159 5 20 IIBD CC[C@@H](C)N(C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)c1ccc(C(N)=O)cc1 520164344 CCSYLSDVASNONW-QGZVFWFLSA-N 438.528 4.375 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1 521481106 LZBYFXUESINODZ-UHFFFAOYSA-N 445.541 4.363 5 20 IIBD Cc1sc(C(=O)O)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1Nc1ccccc1 521527374 QVYYMEBREQCMBM-UHFFFAOYSA-N 433.467 4.207 5 20 IIBD Cc1cc(Br)cc2c1N(S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CCC2 522968020 YHDIIQGSKCKIQD-UHFFFAOYSA-N 445.722 4.461 5 20 IIBD COc1ccc(CC[C@@H]2CCCCN2C(=O)COc2cccc([N+](=O)[O-])c2)cc1OC 523556256 PWCDPZKKTIYNLR-SFHVURJKSA-N 428.485 4.005 5 20 IIBD C[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)Sc1ccc(Br)cc1 524686844 NGQOUVGQZGDVEG-LBPRGKRZSA-N 425.304 4.033 5 20 IIBD C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1cc2ccccc2s1 526952201 UTAANCIFJCJOLG-TZMCWYRMSA-N 429.523 4.353 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 531954913 DFOXMZSULAQKRG-FUHWJXTLSA-N 431.558 4.175 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1c(F)cccc1Cl 534948177 IPHBXUWUGUHRJW-UHFFFAOYSA-N 440.880 4.315 5 20 IIBD CC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccc(C)cc1)n1cncn1 535882481 HYEAZEOACDEZIZ-HKUYNNGSSA-N 428.880 4.338 5 20 IIBD C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OCC(F)(F)F)cc1 538163314 NYHHMOFOXSBMLQ-NSHDSACASA-N 431.798 4.479 5 20 IIBD O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 538194751 LFTPAIXMTYRZAF-NHCUHLMSSA-N 445.903 4.331 5 20 IIBD O=C(NCCSCc1ccc(Cl)cc1Cl)c1cc2c(cc1[N+](=O)[O-])OCCO2 539364575 DEZBAZJHLJOYQA-UHFFFAOYSA-N 443.308 4.336 5 20 IIBD Cc1cc(I)ccc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F 541585516 BPGRBBKXIYOJBB-JTQLQIEISA-N 428.201 4.389 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CCN(c3ncc(Cl)cc3Cl)CC2)c1Br 541589977 SGDUTZBUCCKDPC-UHFFFAOYSA-N 447.120 4.089 5 20 IIBD CCOc1ccc(NC(=O)CN[C@@H](C)c2nc(-c3ccccc3)cs2)c([N+](=O)[O-])c1 541660498 MWEQQYODMPOZKN-AWEZNQCLSA-N 426.498 4.406 5 20 IIBD COc1ccc(NC(=O)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1[N+](=O)[O-] 542034301 YQHGTTAYFYKNIN-AWEZNQCLSA-N 435.440 4.133 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1N1CCOCC1 543117871 QFDBQMZJOCOIJV-UHFFFAOYSA-N 441.431 4.181 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1noc(C2=Cc3cc(Br)ccc3OC2)n1 544539330 JWMFKTCREGIVBD-UHFFFAOYSA-N 443.257 4.328 5 20 IIBD Cn1cnnc1Sc1ccc(-c2nc([C@H]3CCCc4ccccc43)no2)cc1[N+](=O)[O-] 547000856 BHLNJUJUZIBAPG-INIZCTEOSA-N 434.481 4.393 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 548981146 OAXJQCFKQJTMHM-UHFFFAOYSA-N 435.868 4.612 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 550590342 MMOPSIFQLSVUEZ-AWEZNQCLSA-N 446.301 4.157 5 20 IIBD COc1cccc(-c2noc([C@H](C)NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)n2)c1 551599445 SQJNIBVJXFEYFC-JTQLQIEISA-N 436.346 4.163 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)Cc2ccc(OCC(F)(F)F)cc2)c1 552613432 KMJVQDHYHRORJV-UHFFFAOYSA-N 426.391 4.272 5 20 IIBD O=C(N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 553691995 ODKBEYBMMSGRHZ-FQEVSTJZSA-N 433.386 4.227 5 20 IIBD Cc1ccccc1NC(=O)Cc1noc(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 553718758 HXYLNEOKNJHZGK-UHFFFAOYSA-N 449.389 4.141 5 20 IIBD Cn1ccnc1[C@@H](N[C@@H]1CCCN(c2ccccc2Cl)C1)c1cccc([N+](=O)[O-])c1 556868156 PIDGUFBDLGURKP-UTKZUKDTSA-N 425.920 4.330 5 20 IIBD CC[C@H](C)c1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1C[C@H]1CCCCO1 559205667 IZUWFTHNAKYBMW-LAUBAEHRSA-N 443.548 4.317 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] 560186977 BJZVSSBTYOIHKP-HKUYNNGSSA-N 445.903 4.131 5 20 IIBD CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NC(=O)c1sc(Br)cc1[N+](=O)[O-] 561442725 CGWZJIPLPUORJQ-KCQAQPDRSA-N 439.331 4.500 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl 562121521 DNCLRPLUCQDHGN-VIFPVBQESA-N 428.247 4.419 5 20 IIBD CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 564736641 ZAMANCDJAIOTLK-UHFFFAOYSA-N 425.363 4.439 5 20 IIBD Cc1cc(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)nn1-c1c(F)cccc1F 566822294 DTQKDWPPPNUMIK-UHFFFAOYSA-N 426.383 4.072 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1cc(C(=O)O)cs1 569666013 DPGDTXAVMRYMFC-UHFFFAOYSA-N 448.460 4.388 5 20 IIBD C[C@H](C(=O)NC1(c2cccc(Br)c2)CCOCC1)c1cccc([N+](=O)[O-])c1 573277846 LMVODMFOUYRSAN-AWEZNQCLSA-N 433.302 4.283 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 573669257 IMALHBCNEYXMRV-STQMWFEESA-N 428.361 4.217 5 20 IIBD O=C(Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2)c1c[nH]c2cccc([N+](=O)[O-])c12 576493374 PKUCHRVMYGZKAI-UHFFFAOYSA-N 440.459 4.460 5 20 IIBD NC(=O)N[C@@H](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccc(Oc2ccccc2)c1 590664764 WSZOMPQLJLJGRZ-NRFANRHFSA-N 446.463 4.076 5 20 IIBD NC(=O)c1ccc(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1 603449139 YBLFHCSYNRETRL-UHFFFAOYSA-N 425.828 4.069 5 20 IIBD C[C@H](NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)c1ccc2nc(O)[nH]c2c1 603918840 UDWCTBFILNRYNB-KFWWJZLASA-N 437.500 4.150 5 20 IIBD COc1ccc(CCN(Cc2ccccc2)C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 609011515 GKTBVZHAWJEFOV-UHFFFAOYSA-N 434.492 4.426 5 20 IIBD O=C(N[C@H]1CCCc2occc21)c1ccc(C(=O)N[C@H]2CCCc3occc32)c([N+](=O)[O-])c1 609043670 IFHZOQIJVDFJLG-OALUTQOASA-N 449.463 4.396 5 20 IIBD O=C(Nc1ccccc1F)[C@@H]1CSCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 609453867 MWYVMTZNDQAQMI-HNNXBMFYSA-N 431.470 4.102 5 20 IIBD O=C(NCCCC(=O)N1Cc2ccccc2C1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 609533389 YDFYZBNBMNBRJP-UHFFFAOYSA-N 444.491 4.391 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)c(C[S@@](C)=O)c2)cc1SC 609655827 WZHHXVPHSZOIBZ-HHHXNRCGSA-N 428.919 4.110 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(Nc2ccc3c(cnn3C(C)C)c2)c([N+](=O)[O-])c1 609765570 CBMSKXZJRLPSFP-UHFFFAOYSA-N 431.518 4.300 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC(c2nc3ccccc3s2)CC1 609770938 PALLQMAOBHPRPV-UHFFFAOYSA-N 438.509 4.382 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 609847476 MUWHEYLGWJAPFA-CQSZACIVSA-N 432.481 4.037 5 20 IIBD CS(=O)(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)c1 611199819 SFANDPOVNKKQCI-UHFFFAOYSA-N 435.527 4.253 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)c1sc(-c2ccc(C)cc2)nc1C 619482709 ONMFNDSRWNWCKD-CQSZACIVSA-N 447.538 4.383 5 20 IIBD Cc1ccc(-c2csc(=Nc3ccc(C(N)=O)cc3)n2C2CCOCC2)cc1[N+](=O)[O-] 726390094 UXZGWURMCNQEHZ-UHFFFAOYSA-N 438.509 4.116 5 20 IIBD COc1ccc(CC(=O)OCC(=O)Nc2cccc(Oc3ccccc3)c2)cc1[N+](=O)[O-] 727888758 YDOFAPUZVPANJR-UHFFFAOYSA-N 436.420 4.120 5 20 IIBD CC(C)CCN1Cc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)c2C1 728001677 DYDSFSWBLLWURH-UHFFFAOYSA-N 438.528 4.045 5 20 IIBD O=C(NS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H](Sc1ccccc1F)c1ccccc1 730074867 YBGLOKYMCFNFJX-LJQANCHMSA-N 446.481 4.072 5 20 IIBD CN(C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 731288578 VMMWPQQTFQGIJE-QZTJIDSGSA-N 444.896 4.352 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(-c2nc(-c3cccs3)no2)cc1 731787463 PJYAJQBYNRCHNW-UHFFFAOYSA-N 443.462 4.449 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCc1ccc(CN2CCCCC2)cc1 731919895 FZAXGWDEBGHZIE-UHFFFAOYSA-N 439.484 4.189 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)O[C@H](Cc1ccc(Cl)cc1)C(F)(F)F 733946105 HIHYNEVAOSYZPB-MRXNPFEDSA-N 427.766 4.315 5 20 IIBD NC(=O)c1ccc(COC(=O)c2cccnc2SCC2CCCCC2)c([N+](=O)[O-])c1 734597281 BZPLVAUNNNRYRL-UHFFFAOYSA-N 429.498 4.118 5 20 IIBD CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Oc1ccc(CC)cc1[N+](=O)[O-] 734737503 RIKLEDMLOIHORJ-CQSZACIVSA-N 437.539 4.427 5 20 IIBD O=C(/C(=C\c1ccc(F)cc1)c1cccs1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 736173942 LQCVRDWDYKIIED-UEXNTNOUSA-N 438.484 4.444 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 743266899 GWUSUJXCXOJLIU-CQSZACIVSA-N 435.502 4.290 5 20 IIBD C[C@H](OC(=O)c1ccc(F)c(Br)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 745572066 SLBQAYAKKWHXLB-QMMMGPOBSA-N 445.628 4.334 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@@H](C)c1ccc(Br)s1 745640465 NZKUBHBTCFZOGF-JTQLQIEISA-N 427.276 4.013 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1F)c1ccccc1Cc1nc(O)c2ccccc2n1 746916238 VBEWXWPYCBUBRH-UHFFFAOYSA-N 433.395 4.331 5 20 IIBD COCc1cc([N+](=O)[O-])ccc1N1CCC(C(=O)Nc2cccc(Br)c2)CC1 747215245 OVBQRLQZCNYKDV-UHFFFAOYSA-N 448.317 4.359 5 20 IIBD Cc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748713214 UDIUPEXMJKHZGP-UHFFFAOYSA-N 426.473 4.083 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2cc(Cl)ccc2OC(F)F)c([N+](=O)[O-])c1 748919182 XXDSMMITGWPXJA-UHFFFAOYSA-N 444.774 4.044 5 20 IIBD CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])ccc1Cl 749874560 NAFBDCOYTUXQRY-UHFFFAOYSA-N 446.312 4.184 5 20 IIBD CCN(CC)C(=O)COc1ccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1Cl 749903672 QKXRRNASLSRTGJ-UHFFFAOYSA-N 440.283 4.401 5 20 IIBD CC(C)(C)OC(=O)N(CC1CC1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 751051844 XQVWFJYPMNIOBM-UHFFFAOYSA-N 437.924 4.500 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 751472627 VGXCVAXKYZBJQT-ROUUACIJSA-N 430.505 4.490 5 20 IIBD CCN(C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccc(S(=O)(=O)C(F)(F)F)cc1 754202367 VWGBDWHBUQPTJU-LLVKDONJSA-N 448.394 4.184 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 755677955 SCNOWZDNJOBFHZ-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)OCc1noc(Cc2ccc(Br)cc2)n1 756533055 GGTWICDKWAGYLI-UHFFFAOYSA-N 446.257 4.007 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCCCC[C@@H]1C[C@H](O)c1ccco1 759249366 VCFKHWYBBAEKKF-DYVFJYSZSA-N 444.456 4.057 5 20 IIBD CC(C)(C)OC(=O)N1CCc2c(NC(=O)NCCc3cccc([N+](=O)[O-])c3)cccc21 759952234 CRUHZGJDIVBOFB-UHFFFAOYSA-N 426.473 4.257 5 20 IIBD Cc1cc(F)cc(C(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)c1[N+](=O)[O-] 760302850 WHDFLZURARRUPY-UHFFFAOYSA-N 449.504 4.248 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cc(N2CCCC2=O)ccc1Cl 760661111 MRJQWTWHLCWGCS-UHFFFAOYSA-N 441.827 4.387 5 20 IIBD C[C@H](OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 761133914 QYBTULQLAOPQDF-VIFPVBQESA-N 440.243 4.188 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(COc3ccc(C4SCCCS4)cc3)n2)nc1 762324885 JRWMVHIVYUFLHR-UHFFFAOYSA-N 430.511 4.411 5 20 IIBD CC(C)(C)C(=O)N1CCC(COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 762842315 ZWMRACWKKKWAJA-UHFFFAOYSA-N 431.533 4.027 5 20 IIBD COC(=O)c1ccc(OC(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)F)(C4)C3)cc1[N+](=O)[O-] 763710456 VPYVNIWQUDVVKL-ORMMXULVSA-N 427.375 4.436 5 20 IIBD O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 764242333 GJWIGEYAZHQBLX-UHFFFAOYSA-N 426.778 4.401 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 766190203 BXQLKGXHQXTLQW-LAUBAEHRSA-N 432.565 4.237 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)Nc1cccc(C(F)(F)F)c1 766221864 DOMZBJOUPVFWND-NSHDSACASA-N 433.342 4.346 5 20 IIBD COC(=O)c1coc([C@@H](C)OC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 766996350 FMNZYEAJUIMUCA-SECBINFHSA-N 433.360 4.390 5 20 IIBD CC[C@@](C)(CC(=O)O)NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 767052218 QVEFFRQHNLFCIT-FQEVSTJZSA-N 436.848 4.422 5 20 IIBD O=C(c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2)N1C[C@@H](c2ccccc2)c2ccccc21 767139712 BUBGKOUKAOLVRB-INIZCTEOSA-N 447.403 4.067 5 20 IIBD O=C(NC1CCN(Cc2coc(-c3ccccc3)n2)CC1)c1ccc([N+](=O)[O-])c(Cl)c1 768706499 LXWAISSWLHCPEU-UHFFFAOYSA-N 440.887 4.298 5 20 IIBD C[C@@H](Cc1ccncc1)Nc1c([N+](=O)[O-])ccc(N[C@H](C)Cc2ccncc2)c1[N+](=O)[O-] 771163040 KCFCADLATWDULN-CVEARBPZSA-N 436.472 4.379 5 20 IIBD COc1ccc(-c2cc(COC(=O)c3sc(Br)cc3[N+](=O)[O-])on2)cc1 773596039 CEESACHWJGNHTE-UHFFFAOYSA-N 439.243 4.439 5 20 IIBD Cc1nn(C)c(C)c1[C@@H](C)C(=O)O[C@@H](c1ccc(Br)cc1)C(C)(C)[N+](=O)[O-] 774373197 LPLKQEUDGABWSK-DIFFPNOSSA-N 438.322 4.243 5 20 IIBD O=C(O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1ccc(CN2CCCCC2=O)cc1 776136642 WKGOKMBIQUNZJY-XMMPIXPASA-N 445.475 4.449 5 20 IIBD CCN(CC)c1ccc(-c2nnc(SC[C@H](O)c3ccc([N+](=O)[O-])cc3)n2C)cc1 776277173 PLMVSYRZJIQLTN-IBGZPJMESA-N 427.530 4.062 5 20 IIBD COc1nc(C)c(Br)cc1C(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 776841948 QLMXKQDFPBHKOM-UHFFFAOYSA-N 448.229 4.081 5 20 IIBD O=C(Nc1ccc(F)cc1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccccn1 777953231 DXIMAHUMOTYREZ-UHFFFAOYSA-N 430.342 4.112 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)Nc1c(Cl)cccc1Cl 778888629 ZGEZZBSXWNNYJG-UHFFFAOYSA-N 435.166 4.299 5 20 IIBD C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781252467 LWBXYJHVNHHOLB-YJYMSZOUSA-N 433.848 4.078 5 20 IIBD O=C(C[C@@H]1C=CCC1)Nc1ccccc1NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781650434 LKGJMWWMLOKZES-QVKFZJNVSA-N 434.452 4.021 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)NCCC(C)(C)c2ccccc2)cc1[N+](=O)[O-] 784683891 KLXHYBOXLYIUDM-UHFFFAOYSA-N 448.317 4.088 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 786499617 HLDXWFVMMOFLBS-UHFFFAOYSA-N 434.246 4.379 5 20 IIBD Cc1cc(C)c(N2CC[C@@H](OC(=O)c3cc([N+](=O)[O-])ccc3Br)C2=O)c(C)c1 789041820 ZINIVEKLIVAFJN-QGZVFWFLSA-N 447.285 4.245 5 20 IIBD O=C(CSc1cccc(Br)c1)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 792087587 XEOUQSJGHHULHP-UHFFFAOYSA-N 427.232 4.101 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CC[C@H](Sc2cccc(Cl)c2)C1 795190560 JUJYOOXPAGFFAO-KRWDZBQOSA-N 435.889 4.482 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc23)C[C@H]1c1ccccc1 804691782 BHWINWWWIUTHRX-JKSUJKDBSA-N 441.513 4.097 5 20 IIBD Cc1c(NC(=O)CCN2CCCC[C@@H]2CCNC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] 805764049 UMJUGXGQNCERFS-QGZVFWFLSA-N 434.537 4.001 5 20 IIBD CC(=O)Nc1ccc(NC(=O)COc2ccc(Cl)c([N+](=O)[O-])c2)c(C(F)(F)F)c1 808056937 NAOPRPYPSUOLTE-UHFFFAOYSA-N 431.754 4.243 5 20 IIBD O=C(c1cc(Br)ncc1Cl)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 808446457 JPUJHKGHSMXPNG-OAHLLOKOSA-N 428.695 4.294 5 20 IIBD COC(=O)c1nc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)sc1C(C)C 809387539 GPYYMOUZVPNULQ-UHFFFAOYSA-N 432.502 4.204 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c3ncccc23)c(Cl)cc1Cl 809831817 JBCQRMDBHDVFNA-UHFFFAOYSA-N 444.208 4.126 5 20 IIBD CC[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1Cl)[C@@H]1CN(Cc2ccccc2)CCO1 809915660 AUHUWLVSBQUMKB-LPHOPBHVSA-N 432.908 4.049 5 20 IIBD CC[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC[C@@H]1NC(=O)OC(C)(C)C 809916393 IQNKSXRZBUENLR-STQMWFEESA-N 426.901 4.405 5 20 IIBD COc1ccc([C@@H](O)C2CCN([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cc1 812855344 JMUULFQMGFYOKV-QVKFZJNVSA-N 438.484 4.160 5 20 IIBD C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813087439 SHDWKGAJBZMGJY-QWRGUYRKSA-N 432.304 4.277 5 20 IIBD C[C@H]1CCC[C@@H](C)N1NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 864829676 RWHGTSCEBWSESB-OKILXGFUSA-N 430.892 4.408 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)c1 875146263 VSNRKPRMDBCEJR-LLVKDONJSA-N 440.880 4.313 5 20 IIBD C[C@H](OC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(=O)Nc1cccc(Cl)c1Cl 915471966 VGISKVMKBJIULX-NSHDSACASA-N 449.250 4.271 5 20 IIBD O=C(NCc1ccc(COc2ccccc2)cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 915783820 KXOAKWGOUXHGIE-UHFFFAOYSA-N 439.855 4.082 5 20 IIBD CCC(=O)N1CCC[C@H](C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2OCc2ccccc2)C1 917610822 WDDCCBGDAHUOIK-INIZCTEOSA-N 445.903 4.414 5 20 IIBD Cc1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cccc1-c1nnc2n1CCCCC2 917676399 GBXJHDHBXZLPBB-UHFFFAOYSA-N 436.428 4.049 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccc(OCc2nccn2C)cc1 918525317 SFVBGNODMNAWHT-HNNXBMFYSA-N 427.482 4.131 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)c1ccc2ncsc2c1)c1cccc([N+](=O)[O-])c1 918635042 AEYLVBINCZUVAI-QGZVFWFLSA-N 439.493 4.446 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)c1ccn(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 918636572 XLVQTFZMHBPCBJ-IBGZPJMESA-N 448.479 4.022 5 20 IIBD Cc1c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cnn1C(C)(C)C 919194116 REKOKOGDBBXVCM-LLVKDONJSA-N 442.394 4.058 5 20 IIBD CC[C@H](C)c1ccccc1OC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 919978576 FSTIDHGETOOCOW-IRXDYDNUSA-N 446.525 4.115 5 20 IIBD C[C@H](Nc1ccc(C(=O)Oc2ccc3c(c2)CCC(=O)N3)cc1[N+](=O)[O-])c1ccccn1 920113575 YDGKCTFLUNNSGS-AWEZNQCLSA-N 432.436 4.267 5 20 IIBD C[C@H](Nc1ccc(C(=O)OCCc2c[nH]nc2C(F)(F)F)cc1[N+](=O)[O-])c1ccccn1 920790708 AGBWBTSXCSSYHN-LBPRGKRZSA-N 449.389 4.304 5 20 IIBD COc1cc(C(=O)CCc2nc(-c3cc(C)c([N+](=O)[O-])cc3C)no2)cc(OC)c1OC 1254860693 SJXWDGTZSPZPEI-UHFFFAOYSA-N 441.440 4.103 5 20 IIBD Cn1c(CCNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)nc2ccccc21 1320365997 PMFIQUCDMAOCJW-UHFFFAOYSA-N 429.480 4.066 5 20 IIBD Cc1cc(C)n(-c2ccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3N)cc2F)n1 1321766292 PKYFOLKULLGGHF-UHFFFAOYSA-N 448.252 4.133 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CC(Cc2ccccc2C(F)(F)F)C1 1325146411 FIAFZEKLQRPLOB-UHFFFAOYSA-N 437.374 4.156 5 20 IIBD O=C(COCc1ccccc1)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1 1787890118 PXJADKXKCAWSMI-UHFFFAOYSA-N 449.463 4.152 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3c[nH]c4cnccc34)cc2)CCC1)c1ccc([N+](=O)[O-])o1 1789388790 VNUSCKUUFJYWIQ-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)C3)oc2ccccc12 1797417097 YYLMTATWWBYMNJ-FXVHVQRGSA-N 449.463 4.208 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCCC[C@H]1C1CCN(C(=O)C23CCC(CC2)CC3)CC1 1823615847 NKIPOKXXEATUMS-MZXKRHHESA-N 443.544 4.392 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CCCCN2C(=O)C2(F)CCC2)CC1 1832507250 OMRIFJKKVXDTDG-XTXLJPNXSA-N 443.519 4.120 5 20 IIBD O=C(COC(=O)/C=C/c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 10866365 XGKSFKBKKZISLB-FPYGCLRLSA-N 428.750 4.462 5 20 IIBD CCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 16154376 CQOUHWNQZMRAFZ-UHFFFAOYSA-N 434.392 4.212 5 20 IIBD CNc1ccc(C(=O)O[C@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)cc1[N+](=O)[O-] 17231817 RURKWNCGLPPUOU-NRFANRHFSA-N 435.436 4.182 5 20 IIBD C[C@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1cccc(C(F)(F)F)c1 18086655 LKJIYYMIEPFJBO-LBPRGKRZSA-N 437.374 4.179 5 20 IIBD C[C@@H](OC(=O)CSc1nc2ccccc2o1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 21182391 SLXZBZWERDLALS-SNVBAGLBSA-N 435.845 4.052 5 20 IIBD C[C@H](NC(=O)COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)cc1 23418226 IXRMMLUFTYJPQB-JTQLQIEISA-N 441.665 4.045 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)Cc1ccc(C)nc1 58045047 PENGUHAZHKCEAQ-UHFFFAOYSA-N 425.466 4.385 5 20 IIBD O=C1c2cccc([N+](=O)[O-])c2C(=O)N1Cc1csc(COc2ccc(Cl)cc2)n1 59013505 NLRWCKDJAJCXJU-UHFFFAOYSA-N 429.841 4.080 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)CCSc1ccc(Cl)cc1 104562736 QCKIBDIVIUTLEY-LBPRGKRZSA-N 438.889 4.309 5 20 IIBD COc1cccc(NC(=O)c2ccccc2NC(=O)CCNc2ccccc2[N+](=O)[O-])c1 105565946 RDURPYRXPIOJCO-UHFFFAOYSA-N 434.452 4.296 5 20 IIBD O=C(CN(CCc1ccccn1)Cc1ccc(F)cc1)Nc1ccc(Cl)cc1[N+](=O)[O-] 116708442 UPSPEEYUGDEEDE-UHFFFAOYSA-N 442.878 4.466 5 20 IIBD COc1ccc(-c2ccc(CN[C@H](Cc3ccccc3)C(=O)N3CCCC3)o2)c([N+](=O)[O-])c1 237426356 NIEDMUNYSCHTCB-JOCHJYFZSA-N 449.507 4.187 5 20 IIBD C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 301088113 PQCAYXDTWUEBDN-INIZCTEOSA-N 430.468 4.076 5 20 IIBD CSc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cn2)N2CCc3sccc3C2)cc1 302153855 LPYNLTCMVNZLKC-GOSISDBHSA-N 427.555 4.380 5 20 IIBD Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)c3cc([N+](=O)[O-])ccc3SCC(C)C)n2)c1 428364983 ULSNGRNPQQWHNG-AWEZNQCLSA-N 440.529 4.322 5 20 IIBD O=C(CCSCc1nc(O)c2ccccc2n1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 428714154 RRRMCCNPLAWNMY-UHFFFAOYSA-N 438.509 4.058 5 20 IIBD O=C(c1ccc(NCC[C@H](c2ccccc2)C(F)(F)F)c([N+](=O)[O-])c1)N1CCOCC1 432143011 KBYHSRCOWVXMNT-QGZVFWFLSA-N 437.418 4.215 5 20 IIBD Cc1c(NC(=O)N2CCC[C@]2(CO)Cc2ccccc2)cc(Br)cc1[N+](=O)[O-] 435322640 FNISFOPYWQGKGJ-HXUWFJFHSA-N 448.317 4.267 5 20 IIBD CN(c1ccccc1NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CCCC1 437067966 GZCRBIGROJKSJS-UHFFFAOYSA-N 436.512 4.103 5 20 IIBD C[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2cccc(F)c2)no1 437146704 ZBMRDSWRTAMJMF-LLVKDONJSA-N 434.811 4.084 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(CN2CCc3ccccc32)cc1 438808695 KACCCUVYZBLKIG-UHFFFAOYSA-N 430.464 4.043 5 20 IIBD COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 439260014 OHZVFNPIKXAGKC-UHFFFAOYSA-N 439.855 4.126 5 20 IIBD CNC(=O)c1ccc(OC)c(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])c1 440752374 NIUJQJBHGNPZHN-UHFFFAOYSA-N 437.477 4.367 5 20 IIBD CCCN(C(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1)c1cccc([N+](=O)[O-])c1 441446234 XCLURKSSFZJATG-UHFFFAOYSA-N 425.466 4.433 5 20 IIBD CC[C@@H](C)c1ccc(NC(=O)Cc2noc(COc3ccc([N+](=O)[O-])c(OC)c3)n2)cc1 445270806 VFYZWGATVWCTFG-CQSZACIVSA-N 440.456 4.260 5 20 IIBD O=C(Cc1noc(Cc2ccc([N+](=O)[O-])cc2Cl)n1)Nc1ccccc1C(F)(F)F 445421182 YSCAHEJEDOSZRA-UHFFFAOYSA-N 440.765 4.422 5 20 IIBD COc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)ccc1Br 445936289 YYXDEYBWYWAEGU-UHFFFAOYSA-N 444.079 4.310 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2c[nH]nc2-c2nccs2)cc1[N+](=O)[O-])c1ccccn1 446597980 BMGDHZZMLGAADD-LBPRGKRZSA-N 435.469 4.262 5 20 IIBD COc1cc(CNCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc(OC)c1OCc1ccccc1 446848596 SKOKPJOMTMVJHK-UHFFFAOYSA-N 448.479 4.357 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)c(C(F)(F)F)c1 447022721 GKPKVGZHRQGORI-ZDUSSCGKSA-N 432.395 4.006 5 20 IIBD C[C@@H](Nc1cc(CN2CCOCC2)ccc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F 447813803 UNGTVLFJMJKLNO-CQSZACIVSA-N 431.443 4.345 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 460135364 QZYLCKWDVDXBCK-UHFFFAOYSA-N 446.431 4.028 5 20 IIBD COc1ccc(CNC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc1OC1CCCC1 460269082 QQIVPDXTVZCBRV-UHFFFAOYSA-N 441.484 4.029 5 20 IIBD Cc1cccnc1-c1nnc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1C[C@H]1CCCCO1 461819979 XLCFRYCSJIMUEB-HXUWFJFHSA-N 448.527 4.295 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1C 462618613 QEQONDSHVLKBNQ-QGZVFWFLSA-N 447.557 4.187 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(CCC(F)(F)F)cc2)c2ncccc12 463797786 RALQBPAYWIDOJX-UHFFFAOYSA-N 425.388 4.439 5 20 IIBD C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 463884546 FNMNDMOOJOUFDF-LBPRGKRZSA-N 443.372 4.411 5 20 IIBD COc1cc(CSCc2csc(-c3ccc(C(N)=O)cc3)n2)c([N+](=O)[O-])cc1F 464094232 RAEISHLTMOXXIQ-UHFFFAOYSA-N 433.486 4.398 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](c3ccc(F)cc3)CC2)c2ncccc12 464219747 XCXWZUDFWDCIAJ-OAHLLOKOSA-N 429.473 4.241 5 20 IIBD O=C(CCCc1nnc(-c2ccccc2)o1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464638070 KHIPCCRJQHUDTI-UHFFFAOYSA-N 436.468 4.038 5 20 IIBD CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 465200890 YIBQSWIDWOQDPH-NSHDSACASA-N 430.383 4.002 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1cncc(-c2ccccc2)c1)c1ccccc1[N+](=O)[O-] 466424933 KEWFGCMPZPUREA-NRFANRHFSA-N 433.464 4.470 5 20 IIBD CNC(=O)[C@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 466539524 LTDRWPBROKXDMM-HOTGVXAUSA-N 433.917 4.044 5 20 IIBD Cc1ccc([C@H](C)NC(=O)Nc2ccccc2OCC(=O)Nc2cccnc2)cc1[N+](=O)[O-] 467656919 PDMOLDBTLPRBGL-INIZCTEOSA-N 449.467 4.198 5 20 IIBD CCOC(=O)c1cc(NCC2(N[C@@H](C)c3ccccc3)CCOCC2)ccc1[N+](=O)[O-] 467767169 DNKNUZRPWBXOOH-KRWDZBQOSA-N 427.501 4.083 5 20 IIBD O=C(c1csc([N+](=O)[O-])c1)N(Cc1cccc(Br)c1)C1CCOCC1 468154644 PZKWNWOGWJWFKA-UHFFFAOYSA-N 425.304 4.240 5 20 IIBD COCCN(Cc1ccc(C)o1)C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 470098599 UJFDPOSGOVUIQQ-QGZVFWFLSA-N 438.484 4.353 5 20 IIBD CO[C@@H](C)c1nc(CN2CCCN(C/C(C)=C\c3cccc([N+](=O)[O-])c3)CC2)cs1 470183609 RLUKKMSWVSIHFV-FSEPTYSPSA-N 430.574 4.370 5 20 IIBD C[C@H](NC(=O)c1cc(I)ccc1Cl)c1cccc([N+](=O)[O-])c1 471327479 BEKVFMXCKYYHDX-VIFPVBQESA-N 430.629 4.344 5 20 IIBD CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C 475088832 AWCGKVCMPMOMKH-WMZOPIPTSA-N 443.548 4.101 5 20 IIBD Cc1nc2ccc(Br)cn2c1C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 476117647 ADAXGRSTBJRDKI-SFHVURJKSA-N 447.314 4.201 5 20 IIBD Cc1c(CNC(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cccc1[N+](=O)[O-] 478668130 SPPPLPKYEDAVNR-MRXNPFEDSA-N 433.468 4.111 5 20 IIBD CCCS(=O)(=O)N1CCC(N[C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 480758652 STTBFWHBSAARCI-HNNXBMFYSA-N 437.587 4.178 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)N(C)CCCc2cc(-c3ccccc3)no2)c1[N+](=O)[O-] 481044882 GWEMMAOWHQXVOF-UHFFFAOYSA-N 429.498 4.120 5 20 IIBD COC(=O)c1cc(NC(=O)c2cccc(NC(=O)C3CCCCC3)c2)c(C)c([N+](=O)[O-])c1 485982391 UXVGHBMJDRXZOA-UHFFFAOYSA-N 439.468 4.461 5 20 IIBD O=C(NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F)c1n[nH]cc1[N+](=O)[O-] 486195496 PJGUMQDLZAYTSW-UHFFFAOYSA-N 442.300 4.337 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2ccccc2C)nn1C 486512204 YLGBIWQWEBWIIV-UHFFFAOYSA-N 426.498 4.295 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)c(C)c([N+](=O)[O-])c1 486853400 AEARMQBFTWINRU-OAHLLOKOSA-N 429.326 4.254 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC2(CC1)OCCc1ccsc12 487456224 RWJDCMPLVMNFIZ-UHFFFAOYSA-N 437.315 4.123 5 20 IIBD CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ccc(Sc3ccc([N+](=O)[O-])cc3)cc1)CC2 488225197 BSTRFOHITFJVFV-RTWAWAEBSA-N 442.537 4.138 5 20 IIBD COc1cc(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)ccc1NC(N)=O 488518280 PRGCWSCEMUKYSL-UHFFFAOYSA-N 438.465 4.498 5 20 IIBD O=[N+]([O-])c1ccn(C2CCN(Cc3cn(-c4ccccc4)nc3-c3ccccc3)CC2)n1 488986167 QQHIMTMKRFEPHF-UHFFFAOYSA-N 428.496 4.481 5 20 IIBD O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1ccc([N+](=O)[O-])cc1Br 490268969 DUDVFDMFNSINQS-SNVBAGLBSA-N 442.672 4.159 5 20 IIBD O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 491276234 CUWWSOIALYNWFG-ZDUSSCGKSA-N 443.301 4.095 5 20 IIBD O=[N+]([O-])c1ccc(CNS(=O)(=O)c2cccc(Cl)c2Br)c(Cl)c1 493962277 UJRUYYJTEQCXAP-UHFFFAOYSA-N 440.102 4.143 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 494014466 DBMTXHAJEYKXSI-OAHLLOKOSA-N 441.406 4.083 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)cc1[N+](=O)[O-] 495902523 NACVTTDNNJTTSF-HKUYNNGSSA-N 445.585 4.349 5 20 IIBD Cc1cc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)ccc1S(C)(=O)=O 500297823 FKZGLTDLOWAULU-HUUCEWRRSA-N 445.541 4.041 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 501010634 LTVNFRYVZQDACR-KRWDZBQOSA-N 436.871 4.355 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 502142635 SYMWENUEPUUELZ-MRXNPFEDSA-N 438.459 4.495 5 20 IIBD Cc1cc(N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nn1CCCOc1ccc(F)cc1 504388149 OHGJJVCPBPVRGF-MRXNPFEDSA-N 441.463 4.147 5 20 IIBD COc1cc([C@@H](C)NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)ccc1OC(C)C 506258129 GSSRKWHAWXPMGZ-OAHLLOKOSA-N 438.484 4.282 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N(Cc1ccc(F)cc1Cl)CC1CC1 506748926 ORJBXUZGLLMRKB-UHFFFAOYSA-N 440.258 4.418 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)cc1[N+](=O)[O-] 509663542 KBALINPWEOLMJB-INIZCTEOSA-N 435.274 4.476 5 20 IIBD CCc1ccc(CNC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])s1 509943622 JWHMUNGPFWWLOR-UHFFFAOYSA-N 433.511 4.193 5 20 IIBD C[C@@H](NC(=O)CNc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(Br)cc1 511097343 VWHXYRWZXFOJCE-SNVBAGLBSA-N 444.232 4.248 5 20 IIBD O=[N+]([O-])c1cc2c(c(CN(CCCO)Cc3ccc(Cl)c(Cl)c3)c1)OCOC2 511628955 QFELKICGGQIGIR-UHFFFAOYSA-N 427.284 4.153 5 20 IIBD Cc1cc(S(=O)(=O)N(C)C)cc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1C 512648968 SACPOILZUCSWLY-UHFFFAOYSA-N 446.554 4.198 5 20 IIBD Cc1c(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])nnn1Cc1ccc(C(F)(F)F)cc1 513420656 PSLFMRFBJUYSKZ-UHFFFAOYSA-N 447.417 4.478 5 20 IIBD CC[C@@H](c1ccccc1)c1nnc(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)s1 514761534 LQYDCJLUDWXKKC-KRWDZBQOSA-N 439.497 4.415 5 20 IIBD O=C(CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)Nc1ccc(Br)cc1 518328491 FJXUKAAKGPJTPD-UHFFFAOYSA-N 448.298 4.331 5 20 IIBD COc1cc(OCC(=O)Nc2ccccc2-c2n[nH]c(-c3ccccc3)n2)ccc1[N+](=O)[O-] 519021467 DJVCAHGNSFDSFK-UHFFFAOYSA-N 445.435 4.073 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1ccc(C2CC2)nn1 522539573 CQSOXBPRWCNULI-UHFFFAOYSA-N 440.463 4.296 5 20 IIBD CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl 522739209 MHPZQWVMZYORAN-UHFFFAOYSA-N 430.675 4.195 5 20 IIBD CCn1c(SCC(=O)N2CCc3c2cccc3[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 523130240 PTEHWFZLVHIUSK-UHFFFAOYSA-N 443.916 4.208 5 20 IIBD CC(C)(C(=O)Nc1nc(-c2cccc(Br)c2)cs1)n1cc([N+](=O)[O-])cn1 523228643 POGUECSFNABJAI-UHFFFAOYSA-N 436.291 4.051 5 20 IIBD Cc1ccc(NCCCNC(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)c([N+](=O)[O-])c1 524613319 QWUFBTYJWGEQPT-MRXNPFEDSA-N 439.516 4.114 5 20 IIBD O=C(c1cc(Cl)c2c(c1)OCCCO2)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 525729197 GPLKCIWCFNSBLH-UHFFFAOYSA-N 432.860 4.093 5 20 IIBD NC(=O)[C@H]1CCCN1Cc1cccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c1 532897616 WIESYVDUSANKGU-OAQYLSRUSA-N 436.537 4.385 5 20 IIBD O=C(Nc1cc(-c2cccnc2)[nH]n1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 535881437 ZRNBNMAGEBYSKG-UHFFFAOYSA-N 444.238 4.125 5 20 IIBD Cc1nc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])sc1Cc1ccc(F)cc1 537396382 GFDIYTXVQBUFBD-UHFFFAOYSA-N 435.502 4.074 5 20 IIBD COc1ccc(CNc2nnc([C@@H]3CCCO3)o2)cc1OCc1ccc([N+](=O)[O-])cc1 538594172 ZDSXWZLCLXEQDU-SFHVURJKSA-N 426.429 4.029 5 20 IIBD CCOc1cc(NC(=O)c2cc(C)n(-c3cccc(F)c3)n2)c([N+](=O)[O-])cc1OCC 538681315 ZKCFJIRZOVFSNA-UHFFFAOYSA-N 428.420 4.278 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)NCc1ccc(Cn2cnc3ccccc32)cc1 542265618 RPYDGTPNVBFGME-UHFFFAOYSA-N 445.479 4.001 5 20 IIBD Cc1ccc(-c2noc(CSc3ccc(C(N)=O)cc3[N+](=O)[O-])n2)c(Br)c1 544795946 RMEDGOJRXKTWDX-UHFFFAOYSA-N 449.286 4.107 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(CCSc4ccc5c(c4)OCCO5)n3)c2c1 545854562 SNTXLWOQCVNSPR-UHFFFAOYSA-N 438.465 4.156 5 20 IIBD COc1ccc(CSCc2nc([C@H]3CCN(C)c4ccccc43)no2)cc1[N+](=O)[O-] 546350909 HZEJLWGLGSZGCY-INIZCTEOSA-N 426.498 4.392 5 20 IIBD CCc1c(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)cnn1CC(C)C 546467773 TVFZDCNSOUGKGB-UHFFFAOYSA-N 434.294 4.413 5 20 IIBD Cn1c(SCc2ccc(OCC(F)(F)F)cc2)nc2cc([N+](=O)[O-])ccc2c1=O 546524839 TXEWVCXFIPOUNL-UHFFFAOYSA-N 425.388 4.075 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CC[C@@](F)(c4ccccc4F)C3)cc2)c(C)c1[N+](=O)[O-] 549306823 JCVGVVXVQINDGG-QHCPKHFHSA-N 440.450 4.306 5 20 IIBD CN(CCCCc1ccccc1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 549596045 WSFZWTMTROMTBR-HXUWFJFHSA-N 435.528 4.349 5 20 IIBD CCn1ccnc1[C@@H]1CCCCN1Cc1cc(I)cc([N+](=O)[O-])c1 549613150 MRHUPJSGYOYBOW-INIZCTEOSA-N 440.285 4.143 5 20 IIBD O=C(Nc1ccc(F)cc1)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 550102589 UQLSTQABZCBGLL-UHFFFAOYSA-N 439.365 4.244 5 20 IIBD CN(CCc1nc(-c2ccccc2)no1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 552643605 DDWDYFZENKZUKD-UHFFFAOYSA-N 435.465 4.083 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 554847132 RFAYVLZWSUKXFA-DEOSSOPVSA-N 435.549 4.305 5 20 IIBD CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NC(=O)c1sc(Br)cc1[N+](=O)[O-] 561442727 CGWZJIPLPUORJQ-VNHYZAJKSA-N 439.331 4.500 5 20 IIBD CCN(C)[C@@H](c1ccccc1)c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 568562472 SSOCBQKPAZBLKU-SFHVURJKSA-N 431.290 4.372 5 20 IIBD CCO[C@H](C)c1noc(CSCc2cc(I)cc([N+](=O)[O-])c2)n1 569399985 JZHDJVGBRKJOBE-SECBINFHSA-N 449.270 4.113 5 20 IIBD C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(Oc2cccnc2)cc1 581906296 QXYARPOCEHDQFH-CYBMUJFWSA-N 433.873 4.475 5 20 IIBD Cc1nn(CCc2nc(-c3ncoc3-c3cccc(C(F)(F)F)c3)no2)c(C)c1[N+](=O)[O-] 582692032 IWLLAGDXCLPWNB-UHFFFAOYSA-N 448.361 4.375 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])c1nnc(CCc2ccccc2)n1C[C@@H]1CCCCO1 589678452 HQAXWXRMEZDIOM-QFIPXVFZSA-N 449.555 4.220 5 20 IIBD O=C(N[C@@H]1CC[C@@](O)(C(F)(F)F)C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 590426566 ISNXPUAHLYVWOP-XIKOKIGWSA-N 426.416 4.322 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 598404259 PQDLRVHBEDOSCB-CJNGLKHVSA-N 432.860 4.150 5 20 IIBD COc1cc(CN(C)C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(OC)c1 603520616 RJEMTKRRXHOXHR-UHFFFAOYSA-N 441.406 4.091 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 603584303 XLCBSMCQKRQNDX-NXEZZACHSA-N 434.358 4.091 5 20 IIBD C[C@H]1CCCN(S(=O)(=O)c2ccc(CNc3ccc([N+](=O)[O-])c4cnccc34)cc2)C1 603869115 RZENZPWHBSYHTR-INIZCTEOSA-N 440.525 4.176 5 20 IIBD O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1cc2c(cc1[N+](=O)[O-])OCCO2 603880930 XIXMIXLYUGQPJA-IBGZPJMESA-N 443.459 4.409 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1 603903190 WEZRUBKKHLHMSU-UHFFFAOYSA-N 447.426 4.036 5 20 IIBD Cc1cccc(NC(=O)Nc2cccc(CNS(=O)(=O)c3ccccc3[N+](=O)[O-])c2)c1 604041710 OYJPTZDVMCUDDP-UHFFFAOYSA-N 440.481 4.026 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 608877546 KHPXFNBVZBBAJP-QVKFZJNVSA-N 437.883 4.272 5 20 IIBD CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 608945746 LVEXNBVUNBRVDB-UHFFFAOYSA-N 441.390 4.376 5 20 IIBD C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 609104781 BJCWRATTZPSZAQ-QGZVFWFLSA-N 439.537 4.173 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N(CCN(C)C)C[C@@H]3CCCO3)cc2[N+](=O)[O-])cc1 609187967 VCVSPOYREDCKGQ-IBGZPJMESA-N 443.569 4.237 5 20 IIBD O=C(Cc1csc(Cc2cccc(Cl)c2)n1)NCCOc1ccc([N+](=O)[O-])cc1 609456785 XUTBEIQJTVKPEF-UHFFFAOYSA-N 431.901 4.033 5 20 IIBD O=C(NC[C@@H]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1)Nc1cccc(F)c1 609465052 NKWLKXPYVLSBHF-KRWDZBQOSA-N 430.480 4.037 5 20 IIBD CCc1nc(CN2CCC(CNC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC2)cs1 609530618 OUQRJOSCSLSDTL-UHFFFAOYSA-N 444.582 4.470 5 20 IIBD Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)n[nH]1 609762345 CLULUYKYWIBZGU-UHFFFAOYSA-N 432.440 4.380 5 20 IIBD C[C@@H]1SCCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@H]1C 609819467 MAOHDCNSQCFOGA-IRXDYDNUSA-N 436.537 4.342 5 20 IIBD CC[C@H](c1ccncc1)N(C)c1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] 609964081 FCNACIFKLZODNC-LJQANCHMSA-N 432.546 4.142 5 20 IIBD Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])o1 609978510 OAOQVEHOJSELCB-KPZWWZAWSA-N 442.859 4.033 5 20 IIBD O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 610261602 RAGVVILENTYYRV-QGZVFWFLSA-N 438.292 4.365 5 20 IIBD CN(C)c1ccnc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c1 612347228 WDWFJSAAYHOCKF-UHFFFAOYSA-N 442.479 4.090 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1I)c1cccc([N+](=O)[O-])c1 726027376 RXTRIYXMAGQFMA-VIFPVBQESA-N 442.165 4.026 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1csc(-c2c(F)cccc2F)n1 726216890 KJIMYBPENODDNR-UHFFFAOYSA-N 444.375 4.404 5 20 IIBD COc1ccc(CN2C[C@H](C(=O)Oc3ccc(-c4ccccc4)cc3[N+](=O)[O-])CC2=O)cc1 726733771 GTMXSFKEDKJHHI-HXUWFJFHSA-N 446.459 4.225 5 20 IIBD O=C(c1cc(-c2ccccc2)on1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727328619 BQXKCZONHKNRSO-UHFFFAOYSA-N 446.385 4.231 5 20 IIBD Cc1c(C(=O)N2CCC(CN(C)Cc3ccccc3)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 727392904 UBLSTFLTRDHHAN-UHFFFAOYSA-N 440.500 4.104 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 727395178 IENHCSWCEYPIMH-KRWDZBQOSA-N 429.231 4.020 5 20 IIBD CCOCCOc1ccc(Cl)cc1NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] 728185761 LQHBQJQWAVRRQY-UHFFFAOYSA-N 435.285 4.118 5 20 IIBD COc1ccccc1NC(=O)[C@@H](OC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])C(C)C 728650428 YKWUWNHXAYXTTM-IBGZPJMESA-N 448.497 4.154 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCC2CCN(Cc3ccccc3)CC2)cc1SC 728770166 OOWYBZAEHKKHHO-UHFFFAOYSA-N 430.526 4.394 5 20 IIBD O=C(OCc1c(F)cccc1[N+](=O)[O-])c1ccccc1Cc1nc(O)c2ccccc2n1 728988796 QUZGJZVANZHKQB-UHFFFAOYSA-N 433.395 4.331 5 20 IIBD CCOc1cc(C)ccc1NC(=O)c1ccc(I)c([N+](=O)[O-])c1 730483343 RRRRCINAVXAYQV-UHFFFAOYSA-N 426.210 4.159 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 734109778 DOGVEPOOSWQRPH-UHFFFAOYSA-N 427.457 4.149 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1SC 741956791 HSYHLEPGOIDEFY-GOSISDBHSA-N 435.483 4.121 5 20 IIBD O=C(Nc1cc(F)c(F)cc1I)c1ccc(Cl)c([N+](=O)[O-])c1 744381007 HJNNJVQNFFLPPS-UHFFFAOYSA-N 438.555 4.383 5 20 IIBD C[C@H](OC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(=O)Nc1ccc(Cl)cc1Cl 744623736 WSDWQOSVKTUDAL-NSHDSACASA-N 436.251 4.427 5 20 IIBD CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 745171246 GSFWMJALYBORPQ-ZDUSSCGKSA-N 447.875 4.417 5 20 IIBD CC(C)Cc1nc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cs1 746605602 OMBLDZSVCYVTPD-SNVBAGLBSA-N 445.419 4.453 5 20 IIBD Cc1c(C(=O)N2CCN(Cc3cccc4ccccc34)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748700029 VVJHZLXNVAUHCV-UHFFFAOYSA-N 448.479 4.231 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2cc(-c3cccc(Cl)c3)no2)c([N+](=O)[O-])c1 748925144 PPYNPBFZXDJWFF-UHFFFAOYSA-N 445.815 4.097 5 20 IIBD Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)o2)cc1 748950012 YBDYVYUXDSMXIJ-CYBMUJFWSA-N 426.385 4.396 5 20 IIBD COc1ccc(-n2c(SC[C@@H](O)c3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)cc1 749640255 RMWFEPHVSOYWDH-OAQYLSRUSA-N 449.488 4.128 5 20 IIBD O=[N+]([O-])c1ccc(Oc2ccc(CNC(=S)NC[C@H]3CCOC3)cc2F)c(Cl)c1 749721205 OODDJEMYQUYRPK-CYBMUJFWSA-N 439.896 4.180 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1ccc(F)cn1 751834027 MAYBMYKSVMTEBG-GOSISDBHSA-N 429.791 4.319 5 20 IIBD COc1cc(C(=O)N2CCC[C@@H](N(C)c3ccc(C)cc3)C2)c([N+](=O)[O-])cc1OC(F)F 753048373 COGXFDAYJDUDPF-MRXNPFEDSA-N 449.454 4.254 5 20 IIBD Cc1ccc(N(C)[C@@H]2CCCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)C2)cc1 753049822 ZPRPDXKGHMJPHT-JOCHJYFZSA-N 436.556 4.247 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCCO)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 753213734 IONOMSRYKSFQNV-CQSZACIVSA-N 440.443 4.328 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)cc1[N+](=O)[O-] 753643365 FIGXNEVNDJBPJR-CZUORRHYSA-N 439.331 4.456 5 20 IIBD O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 754629240 CMZISMBNVXOAIO-XMSQKQJNSA-N 427.476 4.374 5 20 IIBD CC(C)[C@H](OC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)N1CCc2sccc2C1 755059626 CMHBTJIHPKWGPX-DJJJIMSYSA-N 434.489 4.052 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)O[C@@H]2CCO[C@@H](c3ccc(C)cc3)C2)cc1OC 757531289 YKHAYVYBXVJDEP-YLJYHZDGSA-N 445.468 4.014 5 20 IIBD Cc1onc(-c2ccccc2Cl)c1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 763058238 ZJGBNMQFDGLLMS-GFCCVEGCSA-N 429.816 4.396 5 20 IIBD O=C(Nc1cccc(CS(=O)(=O)c2ccccc2)c1)c1cc(F)c([N+](=O)[O-])cc1F 763468271 VVAKPIGCMOKARD-UHFFFAOYSA-N 432.404 4.099 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)Nc1ccc2c(c1)OC1(CCCC1)O2 763721915 ZZBUJUNKIGBVRQ-UHFFFAOYSA-N 432.816 4.085 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 765588548 RGUNQDRMLXJTPS-QXAKKESOSA-N 433.549 4.315 5 20 IIBD O=C(OCC(=O)[C@H]1CCCOC1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 769039596 DHRBUHGZGUEPDE-INIZCTEOSA-N 432.860 4.013 5 20 IIBD CC(C)(C)OC(=O)C1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 770265587 QBOHNBSCVHQYQV-UHFFFAOYSA-N 431.533 4.215 5 20 IIBD Cc1cc(S(=O)(=O)N(C)[C@@H](C)c2ccccc2Br)cc([N+](=O)[O-])c1F 771743090 POTVADGNZYTJEL-NSHDSACASA-N 431.283 4.187 5 20 IIBD CC(C)[C@@H](NC(=O)COC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccccc1 773606947 YFQHIVFEXUDGAO-OAHLLOKOSA-N 441.303 4.089 5 20 IIBD O=C(O[C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 776131473 GQQMJDBURKSTEL-CQSZACIVSA-N 437.843 4.025 5 20 IIBD Cc1nn(C)c2nc(C3CC3)cc(C(=O)O[C@@H](c3cccnc3)c3ccccc3[N+](=O)[O-])c12 776217103 FKZWPDXFGVIGBU-QFIPXVFZSA-N 443.463 4.404 5 20 IIBD CC(C)(C)OC(=O)N1CCCc2c(C(=O)NCCNc3ccc([N+](=O)[O-])cc3)cccc21 778316386 SFCGIAYPTIPJMD-UHFFFAOYSA-N 440.500 4.124 5 20 IIBD O=C(O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1cc([N+](=O)[O-])ccc1OC(F)F 779365433 CRVGGAFLEDASDC-SFHVURJKSA-N 445.334 4.446 5 20 IIBD CC(C)(CC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 781751809 JLVHFODGWZHJIB-UHFFFAOYSA-N 436.823 4.168 5 20 IIBD COc1ccc([C@@H]2CCCN2C(=O)c2cccc([N+](=O)[O-])c2Br)cc1OC 782164410 SHWVYIQXQMQYKB-AWEZNQCLSA-N 435.274 4.352 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)[C@H]2CCCC[C@H]12 782809375 CZJAQOLDISZIQZ-LPTQZCDUSA-N 444.509 4.013 5 20 IIBD COc1ccc(CC(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])cc1[N+](=O)[O-] 782848536 DHWIXMZALKFUOH-UHFFFAOYSA-N 437.408 4.272 5 20 IIBD O=[N+]([O-])c1cccc(Br)c1CN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 783594197 CRLDJHGPHHUFOQ-LLVKDONJSA-N 433.228 4.410 5 20 IIBD C[C@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)c1ccccc1Br 785950045 RFUATVQBDYPRLA-JTQLQIEISA-N 426.650 4.368 5 20 IIBD CCOc1ccc([C@H]2CCCN2C(=O)COC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 785953841 NESGZTHOZYNVJV-HXUWFJFHSA-N 446.887 4.096 5 20 IIBD Cc1cc(C(=O)O[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)ccn1 789027800 KUZHJAOXFHFCQT-IBGZPJMESA-N 425.828 4.488 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)cc1[N+](=O)[O-] 789068823 RXXYNVZDSMSAAJ-JKSUJKDBSA-N 426.473 4.323 5 20 IIBD Cc1cccc(-c2nnc(COC(=O)c3cc([N+](=O)[O-])cc(Br)c3C)o2)c1 790444545 DUYCSCOGLQOOKL-UHFFFAOYSA-N 432.230 4.381 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)c1cccc(OCc2ccccn2)c1 791206399 WKPZGIXYNSUHNS-HNNXBMFYSA-N 438.459 4.265 5 20 IIBD C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1ncc(-c2ccccc2)o1 795850751 AWKJPIZYQRKJEP-JTQLQIEISA-N 425.825 4.082 5 20 IIBD C[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1Br)[C@@H]1OCCc2sccc21 796488825 YOXXDKKFZYJDEP-QFYYESIMSA-N 426.288 4.412 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)OCCc2nccs2)cc1[N+](=O)[O-] 796943192 YFRBFQCNOMBUON-UHFFFAOYSA-N 428.491 4.404 5 20 IIBD COc1cccc([C@@H]2CCCN2C(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2O)c1 798155776 GWWFHJKEMPKJPO-INIZCTEOSA-N 442.859 4.125 5 20 IIBD C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 800554321 ZZJYWPOYGBKIIN-ZDUSSCGKSA-N 449.305 4.041 5 20 IIBD CC(C)N(Cc1cc(Br)ccc1F)C(=O)c1cc([N+](=O)[O-])c(F)cc1N 801856646 NJJGBURVYNNAQB-UHFFFAOYSA-N 428.233 4.269 5 20 IIBD CC[C@H](OC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])c1ccc(F)cn1 803045849 KERZFRUHQAYZGB-INIZCTEOSA-N 426.242 4.022 5 20 IIBD Cc1c(C(=O)OCc2nc3cc(Br)ccc3o2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 803285384 URVMCVRTPWVMNI-UHFFFAOYSA-N 436.174 4.072 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1)[C@H]1CCCOC1 804289045 MCTUYXHNAVOTNP-QFIPXVFZSA-N 437.540 4.305 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H](c2noc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)n2)C1 809365011 OCKQLAKBDZGITH-HNNXBMFYSA-N 443.504 4.360 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)OCC(=O)c2ccc(C(F)(F)F)nc2Cl)c1 811081619 PLRDOLDCQBTXQB-UHFFFAOYSA-N 446.765 4.165 5 20 IIBD C[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1ccc(N2CCCOC2=O)cc1 814264148 NHNLMFLGEGDLHM-INIZCTEOSA-N 438.484 4.351 5 20 IIBD CCSc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2I)c1 816983558 CHHLLIBPVVNLLY-UHFFFAOYSA-N 442.278 4.241 5 20 IIBD CC(=O)Nc1cccc(NC(=S)/C(=C(/O)c2cccc([N+](=O)[O-])c2)[n+]2ccccc2)c1 913141277 LAMGVXQZNAKPHR-UHFFFAOYSA-O 435.485 4.164 5 20 IIBD CCNc1ccc(C(=O)Nc2cccc(CN(CC)C(=O)C(F)(F)F)c2)cc1[N+](=O)[O-] 915162964 LPFFCKXVZKWNBE-UHFFFAOYSA-N 438.406 4.190 5 20 IIBD O=C(NCCCn1cccn1)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 918068270 HAMPBFFTGITZEL-UHFFFAOYSA-N 447.539 4.071 5 20 IIBD Cc1ccc(NC(=O)Nc2ccccc2)cc1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 918398765 AKLYICUEEDKGKR-UHFFFAOYSA-N 444.444 4.487 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)Cn1c(-c2ccc(F)cc2)c(C)sc1=O 918538678 OXXHURUPCFENMT-UHFFFAOYSA-N 446.456 4.075 5 20 IIBD COc1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c2ccc(F)cc2)cc1 920018287 MLUWAOYZZMNFDK-NRFANRHFSA-N 439.399 4.479 5 20 IIBD COc1ccccc1C(=O)COC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 920545104 FPFPSINSYNJAJS-OAHLLOKOSA-N 435.436 4.211 5 20 IIBD Cc1sc(NC(=O)c2ccc3nnc(C(F)F)n3c2)nc1-c1cccc([N+](=O)[O-])c1 1253229748 RXPOPAQHPIIDMY-UHFFFAOYSA-N 430.396 4.259 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCC[C@H](c3nnc4n3CCCCC4)C2)c(Br)c1 1255175338 KPHQNKCFHDHSKR-HNNXBMFYSA-N 434.338 4.055 5 20 IIBD Cc1nn(Cc2ccc(-c3nnc(Cn4c(C)nc5ccccc54)o3)cc2)c(C)c1[N+](=O)[O-] 1261428255 FZWPMHHUIPQVRZ-UHFFFAOYSA-N 443.467 4.213 5 20 IIBD COc1cc([C@@H](C)NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)ccc1OCc1ccncc1 1318836638 NPTLXCGDYBJLQF-MRXNPFEDSA-N 448.479 4.364 5 20 IIBD Cc1csc(Sc2ccc(-c3nc([C@@H]4CN5CCC4CC5)no3)cc2[N+](=O)[O-])n1 1320496199 PTSRPLWHJWPUGJ-CQSZACIVSA-N 429.527 4.370 5 20 IIBD Cc1nc(N2CCOCC2)sc1-c1nnc([C@H](C)Sc2ccc([N+](=O)[O-])cc2)o1 1322205669 PJJAGPPYTFYDKZ-LBPRGKRZSA-N 433.515 4.100 5 20 IIBD COc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CCC2)s1 1785748638 ZDOFOUPLIJUJBH-UHFFFAOYSA-N 441.465 4.319 5 20 IIBD CCC[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C3)CC1 1801814720 BDVIXVPCUXDZPU-FWIIZBITSA-N 443.544 4.159 5 20 IIBD O=C(C[C@@H]1C[C@@H]2CC[C@H]1C2)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1 1822015138 RXMUYHZRJCPNFB-AESZEHBQSA-N 441.488 4.043 5 20 IIBD C/C=C(\C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1824843182 PSWPAXUIRNZSBH-ZGCPUTISSA-N 427.545 4.113 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@@H]2CCCCN2C(=O)CCCC(F)(F)F)CC1 1824870785 HMYNAMDNXYNICO-HNNXBMFYSA-N 445.438 4.154 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC2(CCCN2C(=O)CC2CCCC2)C1 1842596614 QYLWURICGLKPGM-UHFFFAOYSA-N 427.526 4.207 5 20 IIBD Cc1c(NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cccc1[N+](=O)[O-] 10125185 WCWMCAOZQWGYQQ-UHFFFAOYSA-N 435.402 4.413 5 20 IIBD Cn1c(S[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)nc2cc3ccccc3cc2c1=O 10670215 OCPCGFBFRPHCOO-OAQYLSRUSA-N 433.508 4.338 5 20 IIBD CSc1ccc(-c2csc(NC(=O)CNC(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)cc1 11423244 NOJXWLGGVZBBDM-UHFFFAOYSA-N 442.522 4.117 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)CCn2nc(C)cc2C)c2ccccc2)c([N+](=O)[O-])c1 11562848 CXTOVFFVBSLWJB-JOCHJYFZSA-N 436.468 4.030 5 20 IIBD CCN(C(=O)[C@H](C)OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C1CCCCC1 12090280 JSOXXPZKHXISHE-LBPRGKRZSA-N 427.295 4.084 5 20 IIBD COc1ccccc1CN(Cc1cccs1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 16086172 HFISCRRNPIVLPV-UHFFFAOYSA-N 432.523 4.364 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)OCc2nnc(-c3ccc(Br)o3)o2)c1 16196399 WNSMHZPJUKTPTC-UHFFFAOYSA-N 440.231 4.079 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2oc3ccccc3c2CSC)c([N+](=O)[O-])c1 16870850 CVZYQHLSMHVMBC-LBPRGKRZSA-N 444.465 4.397 5 20 IIBD C[C@H](Sc1nc(-c2ccc(Br)cc2)n[nH]1)C(=O)Nc1ccccc1[N+](=O)[O-] 21747814 KEUWDTYEXDWEPR-JTQLQIEISA-N 448.302 4.262 5 20 IIBD CCn1c(SCC(=O)Nc2cccc(NC(C)=O)c2)nc2cc3ccccc3cc2c1=O 22178076 FIEMETLBZJDASE-UHFFFAOYSA-N 446.532 4.259 5 20 IIBD C[C@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)N1CCc2ccccc2C1 22253616 PTJYIKMAFXHPCA-INIZCTEOSA-N 429.545 4.152 5 20 IIBD C[C@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1Br 22547224 ZLEYUPSTZNNDAL-VIFPVBQESA-N 427.638 4.195 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc4c(c3)NC(=O)CS4)cc2[N+](=O)[O-])C1 24295241 PDCORYAVLPEJEC-ZIAGYGMSSA-N 440.525 4.374 5 20 IIBD COc1cc(CCNC(=O)c2c(-n3cccc3)sc(C)c2C)c([N+](=O)[O-])cc1OC 25154817 WWSPWFUOPLEPHC-UHFFFAOYSA-N 429.498 4.054 5 20 IIBD O=C(CSc1nnc(C2CC2)n1-c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 28827469 WHWKLKRMTHRVTA-UHFFFAOYSA-N 429.889 4.437 5 20 IIBD COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 30911673 FZZMAHQKLSOFJO-XMMPIXPASA-N 446.507 4.105 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CCc1ccccc1)Cc1ccc(C)s1 32406941 ZETYWCMIWNGMID-UHFFFAOYSA-N 446.550 4.407 5 20 IIBD CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)COc1ccc([N+](=O)[O-])cc1 32526259 LWTCAFKIGYYUGN-UHFFFAOYSA-N 442.475 4.485 5 20 IIBD C[C@@H](OC(=O)/C=C\c1ccccc1F)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 33504469 RRRVQDDCTATQPM-ASCRHOAZSA-N 441.440 4.441 5 20 IIBD Cc1cc(=O)c(C(=O)Nc2cccc(Oc3ccccc3)c2)nn1-c1ccccc1[N+](=O)[O-] 60665299 PAOIFEDXVADHTP-UHFFFAOYSA-N 442.431 4.494 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-])c1ccccn1 108757467 ATUWXXAVHDDBJU-RXVVDRJESA-N 445.523 4.167 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)cc1[N+](=O)[O-] 218956495 WJTZOHREUYYTAX-UHFFFAOYSA-N 425.438 4.030 5 20 IIBD O=C(c1ccccc1)c1ccc(N2CCN(Cc3ccc(Cl)nc3)CC2)c([N+](=O)[O-])c1 301323116 VILVPCDEFQKVBP-UHFFFAOYSA-N 436.899 4.196 5 20 IIBD Cc1cc(NCc2ccccc2S(=O)(=O)NC(C)(C)C)c2cccc([N+](=O)[O-])c2n1 302037904 VLAZEJVGVYDKLU-UHFFFAOYSA-N 428.514 4.140 5 20 IIBD O=C(CCc1nc2cc(C(F)(F)F)ccc2s1)NCCNc1ccccc1[N+](=O)[O-] 409890442 ZAVCKZNVLDPXCP-UHFFFAOYSA-N 438.431 4.384 5 20 IIBD COc1cc(CCNC(=O)[C@H](C)Oc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])cc1OC 410190741 KRBIIYQOQYUPPZ-NSHDSACASA-N 443.283 4.045 5 20 IIBD CC(C)(NCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)c1ccccc1[N+](=O)[O-] 429264474 CDIXWNFQIBCNNK-GOSISDBHSA-N 438.509 4.452 5 20 IIBD Cc1c(NC(=O)C(=O)NCCCCCc2ccccc2)cc(Br)cc1[N+](=O)[O-] 430311945 MRWIMCXNLPUNSP-UHFFFAOYSA-N 448.317 4.133 5 20 IIBD CC(C)(NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 430630610 ZAWIIQACDWWTDL-UHFFFAOYSA-N 438.225 4.498 5 20 IIBD O=C(N[C@@H]1CCC[C@@H]1OCc1ccccc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 430859331 HZXDXRAPIBGIDL-MJGOQNOKSA-N 438.402 4.404 5 20 IIBD CC(C)n1c(CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])nc2ccccc21 431335182 WVYOAFIYZJBFNY-UHFFFAOYSA-N 431.290 4.260 5 20 IIBD COc1ccc(C[C@H]2CCCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C2)cc1 431456229 DUHQMLGUNDZUHN-OAHLLOKOSA-N 433.302 4.461 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1cc(-c2ccco2)nn1C(C)C 435001701 ZCHPZZMJWHPUAB-UHFFFAOYSA-N 439.472 4.008 5 20 IIBD O=C(Nc1cc(Cl)ccc1N1CCOCC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437384779 NPZMBMPSXGWRPW-UHFFFAOYSA-N 430.892 4.281 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2csc([C@@H](C)OC)n2)cc1 438975113 DEGYEXILJDBJMY-CYBMUJFWSA-N 443.481 4.490 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1cccs1)Cc1cccs1 439819585 JFVQNZWXTYBYEN-UHFFFAOYSA-N 445.522 4.284 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccc(COCc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 441695646 BHBBWSMAVPXOCY-KRWDZBQOSA-N 433.464 4.128 5 20 IIBD O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444022247 QARJLWSBFGNXLT-MRXNPFEDSA-N 433.458 4.358 5 20 IIBD O=C(NCCC1CCN(CC(F)(F)F)CC1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444113196 ZUMJQEFUSAVMBY-UHFFFAOYSA-N 449.448 4.215 5 20 IIBD CCCC[C@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)C(=O)OC(C)(C)C 444327871 RIUAFNOPTNAWFS-SFHVURJKSA-N 426.488 4.451 5 20 IIBD O=C(Cc1noc([C@@H]2C[C@H]2c2cccc(Cl)c2Cl)n1)NCc1ccc([N+](=O)[O-])cc1 445731662 IQJOZKKGCOJBBD-LSDHHAIUSA-N 447.278 4.415 5 20 IIBD Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c(OC[C@H]2CCCO2)c1 445920273 VDKVMYHHCJQCQP-MRXNPFEDSA-N 449.301 4.405 5 20 IIBD Cc1c(Br)cc(-c2nc(-c3nnc(-c4ccccc4)o3)no2)cc1[N+](=O)[O-] 445998642 LXMNCYSKJVKZOS-UHFFFAOYSA-N 428.202 4.433 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N(CCc1ccccc1)Cc1ccccc1 446914641 OKWUWTOBIOXXNC-UHFFFAOYSA-N 429.480 4.426 5 20 IIBD Cc1cc(C[C@@H](C)NC(=O)c2ccc(Br)cc2[N+](=O)[O-])n(-c2ccccc2)n1 448172698 DVMNGXZLERAWQF-CYBMUJFWSA-N 443.301 4.212 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[C@H]4[C@H](CCCN4C4CC4)C3)cc2[N+](=O)[O-])C1 448200849 YYJQPPNXFNWFIY-MXKPZRPRSA-N 440.588 4.166 5 20 IIBD Cc1nc(NC(=O)c2cc(C(=O)Nc3nc(C)c(C)s3)cc([N+](=O)[O-])c2)sc1C 460781735 KGPXXOBXKIEAEN-UHFFFAOYSA-N 431.499 4.246 5 20 IIBD CCN(Cc1cccc(F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCOC1 461535695 TVQAHSGXOOPZDI-KRWDZBQOSA-N 425.464 4.055 5 20 IIBD COCCOc1ccc([C@H](C)NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC 463134557 ZRVGXPKIBITNOV-LBPRGKRZSA-N 442.390 4.138 5 20 IIBD Cc1ccc(-n2c(S[C@@H](C)c3ccccc3[N+](=O)[O-])nnc2N2CCOCC2)cc1 463261467 XGULSQJCZNDKIE-INIZCTEOSA-N 425.514 4.174 5 20 IIBD CN(CCOCc1ccccc1)C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 465112546 PIVXQCWFNRGYJY-UHFFFAOYSA-N 449.294 4.376 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)Nc1nnc(SCc2ccccc2)s1 467099582 CAERYEGCWTUFKO-UHFFFAOYSA-N 435.918 4.714 5 20 IIBD O=C(NCc1nncn1C1CC1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 467513951 UDSGELCBHLSZEP-UHFFFAOYSA-N 429.889 4.256 5 20 IIBD CC[C@@]1(C)CN(C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CCO1 468068594 KYJKQLLADMTNEF-QFIPXVFZSA-N 428.510 4.189 5 20 IIBD Cc1sc(NC(=O)[C@@H]2[C@H](C(F)(F)F)[C@H]3CC[C@H]2O3)nc1-c1cccc([N+](=O)[O-])c1 468123454 DXOIODVSIDOZBL-YIYPIFLZSA-N 427.404 4.321 5 20 IIBD CC(C)(C)[C@@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(F)cc1F 468383445 NJRMJJKZOYCQEG-FQEVSTJZSA-N 447.438 4.465 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)cc1[N+](=O)[O-])c1ccccn1 470679592 QILPSHVDDRZYSM-SCWSEQNSSA-N 434.500 4.273 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(C)n(CCCOc2ccc(F)cc2)n1 471097593 GMDYUAZXSKTMKJ-UHFFFAOYSA-N 442.447 4.359 5 20 IIBD CCNc1ccc(C(=O)Nc2ccccc2N2CCC(CN(C)C)CC2)cc1[N+](=O)[O-] 471241263 DYXSJYKJJINJLW-UHFFFAOYSA-N 425.533 4.057 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccccc1 471644723 CGZMZQRKSDBXOY-AGKXRFJRSA-N 429.904 4.475 5 20 IIBD Cc1nc(NC(=O)Cc2csc(-c3cc(Br)cs3)n2)ccc1[N+](=O)[O-] 475291974 CDOHDKLNOBFGAV-UHFFFAOYSA-N 439.316 4.427 5 20 IIBD CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)Nc1cccc(Oc3ccc([N+](=O)[O-])cc3)c1)CC2 480746505 BUCNRBFLVDIKMK-NHCUHLMSSA-N 441.484 4.171 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3cc(F)c(Br)cc3s2)c1 481289499 UKRUIRXGRCXJTK-UHFFFAOYSA-N 426.223 4.367 5 20 IIBD CCN([C@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 481449420 XDARHQWHJGTWEW-JOCHJYFZSA-N 425.510 4.407 5 20 IIBD C[C@@H]1c2nncn2CCN1C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 481756324 MKQWHIXUCZLBQG-GFCCVEGCSA-N 429.889 4.208 5 20 IIBD O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 481897319 UDDPUCBCYSZVIU-OFNKIYASSA-N 434.540 4.296 5 20 IIBD COc1cc(OCC(=O)Nc2ccc(OCc3cccc(F)c3)c(F)c2)ccc1[N+](=O)[O-] 483823148 RFSGOJUCLROCGY-UHFFFAOYSA-N 444.390 4.478 5 20 IIBD C[C@@H](NC(N)=O)c1noc(-c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)n1 485237637 IJQFRSNIQCILDM-SECBINFHSA-N 442.482 4.135 5 20 IIBD COc1cccc(C2(NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CCOCC2)c1F 487735865 IOTJXIDVBOSXQI-UHFFFAOYSA-N 442.365 4.197 5 20 IIBD CCc1ccc(-c2noc([C@H](C)NC(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 487793624 BZDSZSAENRWJCC-ZDUSSCGKSA-N 443.891 4.464 5 20 IIBD CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1cccc([N+](=O)[O-])c1 487892450 CRLBTSSJKAUEGQ-SFHVURJKSA-N 445.522 4.338 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)NCc2cccc(NC(=O)c3ccccn3)c2)cc1[N+](=O)[O-] 489343893 WCCMOTMSLBGROB-MRXNPFEDSA-N 433.468 4.111 5 20 IIBD CC(C)Oc1ccc(-c2cccc([C@@H](C)N(C)C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)c2)cc1 490565821 KZXGEQPKLWMLQD-GOSISDBHSA-N 449.507 4.430 5 20 IIBD CN(C)S(=O)(=O)c1ccc(CNc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 497765529 HKKXSIZGKVJCHK-UHFFFAOYSA-N 427.482 4.250 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCC(OCCN(C)C)CC3)cc2[N+](=O)[O-])cc1 498326857 XPGHCSFEKJOLDI-UHFFFAOYSA-N 443.569 4.237 5 20 IIBD CC(C)Cn1ncc2cc(C(=O)N(Cc3ccccc3[N+](=O)[O-])CC(F)(F)F)cnc21 498359467 KVZJGOLCPFFFPR-UHFFFAOYSA-N 435.406 4.200 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(NC(=O)N2CCCCCC2)cc1 498514804 QHKIOXSXYKCPGF-UHFFFAOYSA-N 426.473 4.410 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N(C)[C@@H](C)c2cccnc2)c([N+](=O)[O-])c1 498940446 HYTPKWYPCFHJJF-KRWDZBQOSA-N 440.525 4.402 5 20 IIBD C[C@@H]1Cc2ccc(Br)cc2CN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 501422568 WDIUHWPIXVRRDM-GFCCVEGCSA-N 429.274 4.354 5 20 IIBD COc1cccc(-n2nc(C)c([C@H]3COCCN3Cc3cccc([N+](=O)[O-])c3C)c2C)c1 502309713 BJGCZQCQHMGQTG-HSZRJFAPSA-N 436.512 4.288 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H](C)[C@H]3CCCOC3)c([N+](=O)[O-])c2)c(C)c1 503272904 AVAPMFJKOWMBFJ-IRXDYDNUSA-N 433.530 4.239 5 20 IIBD CCOc1cc(NC(=O)NC[C@@H](C)N2CCc3sccc3C2)c([N+](=O)[O-])cc1OCC 504983151 NQZMOFWAXLMEED-CQSZACIVSA-N 448.545 4.022 5 20 IIBD O=[N+]([O-])c1ccc(COc2c(Br)cc(CCO)cc2Br)c(F)c1 506721372 AQCJGVQMVQVODR-UHFFFAOYSA-N 449.070 4.373 5 20 IIBD COCCSc1ccc([C@H](C)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 507448068 ASDSITCRWRMGJT-LBPRGKRZSA-N 430.935 4.026 5 20 IIBD O=C(NCc1ccccc1Cn1cncn1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 507778988 NCJWDZVIRCHZBJ-UHFFFAOYSA-N 445.504 4.316 5 20 IIBD COc1cc(C(=O)NCc2ccccc2Cl)c([N+](=O)[O-])cc1OCc1cscn1 509897435 VZFLKTNBAQZXMQ-UHFFFAOYSA-N 433.873 4.222 5 20 IIBD CCOc1cc(F)ccc1NC(=O)c1cc([N+](=O)[O-])cc(I)c1C 510512776 DFFJNCIMNGQLFK-UHFFFAOYSA-N 444.200 4.298 5 20 IIBD CN(C)c1ncc(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)n1C 511236403 VQCWQNRMRYHFDS-UHFFFAOYSA-N 445.932 4.129 5 20 IIBD COc1cc(CN[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)c([N+](=O)[O-])cc1F 513215244 MTRLRQKXXNYKBR-IBGZPJMESA-N 428.382 4.253 5 20 IIBD COc1ccc(CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)cc1[N+](=O)[O-] 514562948 MQGBFZFUTITJRZ-QGZVFWFLSA-N 444.488 4.472 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2cc(-c3nc[nH]n3)ccc2F)cc1[N+](=O)[O-])c1ccccn1 514757337 KBJPBFWVDUDETP-ZDUSSCGKSA-N 447.430 4.339 5 20 IIBD CC[C@H](c1ccccc1)c1nnc(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)s1 514761535 LQYDCJLUDWXKKC-QGZVFWFLSA-N 439.497 4.415 5 20 IIBD COc1ccc([C@@H](Cc2ccc(F)cc2)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 515226352 SXOQYPYFRUBHJN-HSZRJFAPSA-N 437.471 4.279 5 20 IIBD C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 515518415 DECVAGVZEINEIT-AWEZNQCLSA-N 443.456 4.026 5 20 IIBD CC(=O)NCc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])cc3F)sc2C)s1 515595363 FAWLYTAVYOVOFX-UHFFFAOYSA-N 434.474 4.116 5 20 IIBD CCS(=O)(=O)Nc1ccc(NC(=O)c2cc3ccccc3c3cccnc23)cc1OC 518326062 FVAVQRRHSIWIDY-UHFFFAOYSA-N 435.505 4.411 5 20 IIBD O=C(Cn1cc(NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)cn1)NC1CC1 520220177 ZUISNWKIBFFKLX-UHFFFAOYSA-N 441.875 4.128 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2cc(C(N)=O)ccc2Cl)cc1[N+](=O)[O-])c1ccccn1 522736800 OTIGNFURALIYHK-LBPRGKRZSA-N 439.859 4.168 5 20 IIBD O=C(Nc1cccc(CSC2CCOCC2)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 523795010 WQRYHAVGWHQQGP-UHFFFAOYSA-N 438.509 4.445 5 20 IIBD COc1cccc(CN(C[C@H]2CCCO2)C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c1 523891342 VGEMSRVOUFSLFA-LJQANCHMSA-N 448.903 4.234 5 20 IIBD COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)s2)cc1 524323831 WDHRYYRRNVTFMG-LLVKDONJSA-N 441.465 4.255 5 20 IIBD CSc1cccc([C@@H](NC(=O)c2c([N+](=O)[O-])c(C)nn2C)c2ccc(F)c(F)c2)c1 525723116 YGEBOCPBDACYIA-QGZVFWFLSA-N 432.452 4.156 5 20 IIBD CN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@H](c1ccc(Cl)cc1)C(F)(F)F 532087232 QYLRRSOPOPFSFW-MRXNPFEDSA-N 439.781 4.205 5 20 IIBD CCn1cc(CN(C)[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cn1 533303334 OVRAXZYIZAPXDV-FQEVSTJZSA-N 427.892 4.276 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC=C(c2ccc(F)cc2)CC1 534212465 KUZCUOPDIKLQRI-UHFFFAOYSA-N 444.484 4.319 5 20 IIBD CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 534248462 ZQHPKMNSHIPORO-UHFFFAOYSA-N 435.267 4.484 5 20 IIBD CCOc1ccc(F)c(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c1F 536279801 HNENYODZKFJSSX-UHFFFAOYSA-N 430.411 4.386 5 20 IIBD C[C@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1cc2c(cc1Br)OCCO2 536484795 GEGRNJAJGWOLTH-JTQLQIEISA-N 446.257 4.101 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](C(=O)Nc2ccccc2)c2ccccc2)c1 537300201 VUASLFMFJYHYLO-QHCPKHFHSA-N 433.464 4.168 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C)c(NS(C)(=O)=O)c1 537479556 KZVZDXDAHNDGBG-UHFFFAOYSA-N 437.543 4.419 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)cc1OC 538557117 HFQYOICNNVAISS-UHFFFAOYSA-N 434.408 4.458 5 20 IIBD CC[C@@H]1Oc2cc([C@@H](C)N[C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)ccc2NC1=O 539361093 IAZOXUOHFJBRGO-VBHSOAQHSA-N 437.456 4.166 5 20 IIBD COCCOc1cc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])ccc1OC 542222418 UZTFAPUQSSJAEI-UHFFFAOYSA-N 426.878 4.013 5 20 IIBD Cc1c(C)n(C[C@@H]2CCCO2)c2ncnc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)c12 543389410 LYUMHPSDBWALFN-INIZCTEOSA-N 429.864 4.041 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(OCC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)n1 543847793 HAYDWBOYNXVHMO-OAHLLOKOSA-N 426.454 4.018 5 20 IIBD O=C(Nc1ccc(Oc2nncc3ccccc23)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 544031698 WMLCVSRODIMROM-UHFFFAOYSA-N 444.403 4.354 5 20 IIBD O=C(NC1CC(OCc2ccccc2)C1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 548703621 JXRDKBHXCLUPCK-UHFFFAOYSA-N 434.442 4.437 5 20 IIBD CC(C)(C)[C@H](NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(F)cc1 550831130 QCLWCDFWJPAJTA-HXUWFJFHSA-N 427.476 4.129 5 20 IIBD COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc([N+](=O)[O-])c(OC)c2)c(OC)c1 552624384 GVDUTUPHOSPPIA-JOCHJYFZSA-N 435.436 4.392 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 553364673 XKVKMMQVGQONSR-SQNIBIBYSA-N 432.929 4.371 5 20 IIBD C[C@@H](C(=O)NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)c1cccc([N+](=O)[O-])c1 555066007 AXBGFKLGZGUAOG-GFCCVEGCSA-N 434.374 4.170 5 20 IIBD COc1cc(C(=O)Nc2nc3c(Br)cccc3s2)cc([N+](=O)[O-])c1OC 557777496 ZURISTLPLSNKEB-UHFFFAOYSA-N 438.259 4.237 5 20 IIBD CNC(=O)c1cc(Oc2cccc(NC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)c2)ccn1 557794396 KBZXKURMCLUADO-UHFFFAOYSA-N 434.452 4.319 5 20 IIBD Cn1c(=O)c(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cc2ccccc21 561371991 YDOFJFCEXWKQRN-UHFFFAOYSA-N 429.432 4.169 5 20 IIBD CCOc1cc(CN[C@H]2[C@@H]3c4ccccc4C[C@H]32)ccc1OCCn1c([N+](=O)[O-])cnc1C 572887232 LQAAAEUGJBFFMR-NIJXNBFTSA-N 448.523 4.005 5 20 IIBD COc1ccc(C[C@@H](CO)CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1O 577782815 OCLIGWBUFKNHPX-OAHLLOKOSA-N 446.887 4.163 5 20 IIBD Cc1ccc(Sc2ccc(CN(C)CCCN3CCN(C)CC3)cc2[N+](=O)[O-])cc1 578100406 LEHURGWZHQYJBP-UHFFFAOYSA-N 428.602 4.124 5 20 IIBD CC[C@@H](C)Oc1ccc(-c2noc(-c3ccc(N4C(=O)CCC4=O)c([N+](=O)[O-])c3)n2)cc1 589128234 QSAPARCQUUWRIP-CYBMUJFWSA-N 436.424 4.143 5 20 IIBD O=C(c1cc2c(Cl)cccc2s1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 590530609 QKYJMAZNKLWGMS-UHFFFAOYSA-N 429.885 4.061 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 603492089 ZMXHHOARNCRBOT-UHFFFAOYSA-N 438.889 4.110 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)Nc1ccc(F)c(F)c1F)c1ccccc1[N+](=O)[O-] 603644244 FQTLUKGNSLFFAL-AWEZNQCLSA-N 425.363 4.217 5 20 IIBD CC(C)Oc1ncccc1CNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 603760877 GYSHHVHDPPHULN-UHFFFAOYSA-N 429.420 4.204 5 20 IIBD O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 603829713 ZPJNIHFIHBHMEE-CYBMUJFWSA-N 434.399 4.079 5 20 IIBD CNS(=O)(=O)c1ccc(N[C@H](c2ccc(F)cc2)c2ccccc2Cl)c([N+](=O)[O-])c1 603867457 SFLPRAGFSCJMGS-HXUWFJFHSA-N 449.891 4.497 5 20 IIBD COc1ccc(CNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1[N+](=O)[O-] 604018631 MHUOQBXCFIBQIX-UHFFFAOYSA-N 428.448 4.386 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)c(Cl)c1 608875291 LKZVVOIJKIDUGA-UHFFFAOYSA-N 448.766 4.118 5 20 IIBD Cc1nc2n(n1)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)CC2 608901841 FYJRGTZVAKNPTQ-CQSZACIVSA-N 443.916 4.044 5 20 IIBD CS(=O)(=O)c1cc(C(=O)Nc2cc(F)ccc2Oc2ccccc2)cc([N+](=O)[O-])c1 609022625 KVIWUTWZXJOTGI-UHFFFAOYSA-N 430.413 4.182 5 20 IIBD O=[N+]([O-])c1cc2c(c(CN3CCc4[nH]c5ccc(Br)cc5c4C3)c1)OCOC2 609196576 ALLLZXGMEWEGHA-UHFFFAOYSA-N 444.285 4.263 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3ccc(OCCCN(C)C)cc3)cc2[N+](=O)[O-])CC1 609331212 PGBMLLBGTGDHBN-UHFFFAOYSA-N 440.544 4.414 5 20 IIBD COc1ccc(-c2cc(CSCCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)on2)cc1 609769919 RNOLCMMVZKHBNX-UHFFFAOYSA-N 441.465 4.490 5 20 IIBD CCOc1ccccc1C(=O)NCC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609771568 ORHNFYIEZIAMQL-UHFFFAOYSA-N 435.436 4.154 5 20 IIBD COc1ccccc1-c1ccc([C@@H](C)NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 610204717 YNDHQBJIMOSEOT-IAGOWNOFSA-N 447.491 4.266 5 20 IIBD O=C(c1cc2cccc(F)c2o1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 610221211 OKUQMQNIQBZJJV-UHFFFAOYSA-N 437.349 4.461 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(Nc2ccc3c(cnn3C(F)F)c2)c([N+](=O)[O-])c1 610958689 DAFOKIOJNWITKD-UHFFFAOYSA-N 439.444 4.114 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC(c2nc(-c3ccccc3)no2)CC1 611223171 WZFNXCIVZXXQGU-UHFFFAOYSA-N 429.436 4.213 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1ccc(COC(C)(C)C)cc1 615147707 BAORWFSCLZWOHT-UHFFFAOYSA-N 427.501 4.286 5 20 IIBD CCOC(=O)C1CCC(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 618809363 INYMMBSQPDCBNZ-UHFFFAOYSA-N 426.469 4.026 5 20 IIBD CCOc1cc(NC(=O)c2ccc(OC(F)F)c(OC)c2)c([N+](=O)[O-])cc1OCC 619212706 BYNIHDABTQZZSJ-UHFFFAOYSA-N 426.372 4.255 5 20 IIBD Cn1nnc2cc(C(=O)Nc3cc(Cl)c([N+](=O)[O-])cc3OCc3ccccc3)ccc21 729170717 QEXXKOPWRVCUOF-UHFFFAOYSA-N 437.843 4.361 5 20 IIBD COCC(=O)Nc1ccc(OC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1 733272790 KUFSIBOCBUQQOS-UHFFFAOYSA-N 435.436 4.011 5 20 IIBD O=C(OCCCN1CCCC1=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 733396044 YZNMWYUVLBHFFW-UHFFFAOYSA-N 431.876 4.030 5 20 IIBD C[C@H](Sc1ncccc1C(=O)OCc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCCC1 734781249 VLYKARBYTIMWRE-ZDUSSCGKSA-N 449.916 4.103 5 20 IIBD Cc1c(C(=O)OCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)sc2cccc(F)c12 735339468 GGBXTNUEXSYOFK-UHFFFAOYSA-N 430.413 4.412 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 736211489 KOELOVAXFXYFLO-JOCHJYFZSA-N 431.920 4.413 5 20 IIBD Cc1cc(NC(=O)COC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)ccc1Br 736865933 HEOKUZMZMJLHOE-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD COc1cc(N2CCC(OC(=O)Cc3ccc(C(F)(F)F)cc3)CC2)ccc1[N+](=O)[O-] 739384819 NGUMZXCUIOJWKT-UHFFFAOYSA-N 438.402 4.377 5 20 IIBD Cc1cc2nc(C)c(CCC(=O)OCc3ccc([N+](=O)[O-])cc3Br)c(C)n2n1 739577585 CUYNRFVLIUYDHZ-UHFFFAOYSA-N 447.289 4.001 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1Br 739581030 YSJTYHYHYYDSCW-DZGCQCFKSA-N 443.294 4.094 5 20 IIBD O=c1c(Cl)c(NCCCCc2ccc([N+](=O)[O-])cc2)cnn1-c1ccc([N+](=O)[O-])cc1 739889600 AYRQNISLKRZKMF-UHFFFAOYSA-N 443.847 4.137 5 20 IIBD CC1(C)[C@H](NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H]2CCO[C@H]21 741233125 JZKXYTFXBWJCAR-ATZDWAIDSA-N 443.887 4.044 5 20 IIBD C[C@@H]1C[C@@H]1[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccc(Cl)cc1 741998156 IGFMBBXUKYAQBC-STSRJJECSA-N 445.878 4.254 5 20 IIBD C[C@@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@H](NC(=O)OC(C)(C)C)c1ccccc1 742529971 LMCNOUXVRPLOFU-UZLBHIALSA-N 427.501 4.455 5 20 IIBD CC(C)c1c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(F)cc1 744690968 GLQIPMUDWPIJHR-CQSZACIVSA-N 440.431 4.227 5 20 IIBD C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccc(-c2ccncc2)cc1 746408369 FCFKMSONGBNKQI-BEFAXECRSA-N 448.454 4.026 5 20 IIBD C[C@H](CNC(=O)[C@@H](C)OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 747962211 MSLUVJGGVGYNLM-HUUCEWRRSA-N 439.493 4.184 5 20 IIBD Cc1nc(C)c(C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)o1 748206551 IXYYQQPLKUIHPE-GOSISDBHSA-N 429.816 4.390 5 20 IIBD COc1cccc(NC(=O)[C@@H](OC(=O)Cc2cccc([N+](=O)[O-])c2C)c2ccccc2)c1 748475166 FJYQUXONAJKWCA-QHCPKHFHSA-N 434.448 4.378 5 20 IIBD Cc1ccccc1[C@@H](CC(=O)Oc1ccc(Cc2ccccc2)cc1[N+](=O)[O-])NC(N)=O 749062509 OCKOGENIPACXNW-HXUWFJFHSA-N 433.464 4.199 5 20 IIBD C[C@@H](NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 750682335 DDYPGFNSXACXIB-CHWSQXEVSA-N 426.901 4.405 5 20 IIBD CN(C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Br)[C@@H]1CCCc2ccccc21 751093827 JROFQJVMBRKOHY-GOSISDBHSA-N 447.285 4.050 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2-c2nc(-c3cn(C)nc3C(F)(F)F)no2)CC1 752908683 IUFQYJUXWJDIBQ-UHFFFAOYSA-N 436.394 4.300 5 20 IIBD COCCOc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc1Cl 753065529 HZCYJZLXGYMFTM-UHFFFAOYSA-N 435.285 4.036 5 20 IIBD CN(C)C(=O)c1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)ccc1Cl 754968047 XQHMBILJKSSWQH-UHFFFAOYSA-N 444.644 4.104 5 20 IIBD O=C(N[C@H](c1ccccc1)c1cccnc1)c1cc(F)cc([N+](=O)[O-])c1Br 754995491 DTBUTJRJFMUDMG-GOSISDBHSA-N 430.233 4.411 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])c(F)cc1N)c1nc(-c2cccc(C(F)(F)F)c2)no1 758078373 WGWIFSIYOIXISN-QMMMGPOBSA-N 440.309 4.303 5 20 IIBD COc1cc(CNC[C@@](C)(O)c2ccc(F)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 758600054 LZMKMZZFBIIDKM-XMMPIXPASA-N 440.471 4.319 5 20 IIBD Nc1ccc(C(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)cc1[N+](=O)[O-] 758693260 BZRFFEMYLMIAHW-UHFFFAOYSA-N 430.386 4.433 5 20 IIBD Cc1ccc(C(=O)CC(C)(C)CC(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 759832134 RHYAZOMPGVISGS-INIZCTEOSA-N 426.469 4.463 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(-c3nc(-c4cccnc4-n4ccnc4)no3)cc2[N+](=O)[O-])C1 761708764 HFDSGAWFZFZFLK-IYBDPMFKSA-N 445.483 4.375 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3ccc(-n4cccc4)nc3)n2)c(Br)c1 762262842 SNBNJPNHAQBDQT-UHFFFAOYSA-N 426.230 4.184 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC=C(c2cccc(Br)c2)CC1 762486833 QWVBTUKQRSOIMU-UHFFFAOYSA-N 435.249 4.191 5 20 IIBD CCOC(=O)Nc1ccc(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 762601484 CIQSIXQIRDNKGI-LBPRGKRZSA-N 426.385 4.131 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)O[C@@H]2CCO[C@@H]([C@@H]3CCOC3)C2)cc1 763091369 CAVCKGVTHHIMRG-YIFZBPKDSA-N 443.452 4.137 5 20 IIBD COc1ccc([C@@H]2NC(=O)N(CC3CC3)C(C)=C2C(=O)Nc2ccc([N+](=O)[O-])cc2)s1 763327371 PQOJQEIBYLEYEG-IBGZPJMESA-N 442.497 4.054 5 20 IIBD Cc1ccc(Br)c(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])c1 764182612 RSNAVYPJPHFVNH-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD O=C(O[C@@H]1CCOC[C@@H]1OCc1ccccc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 767003135 QYPSZNRUGOHEAZ-UXHICEINSA-N 440.477 4.249 5 20 IIBD COc1cc(OC)c(C2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC2)c(OC)c1 768690534 LPOPJCKMCQIYMI-UHFFFAOYSA-N 434.876 4.294 5 20 IIBD Cc1cccc(-c2cncc(C(=O)OC[C@H]3CCCN3C(=O)c3ccccc3[N+](=O)[O-])c2)c1 768776902 IVHPEMONUWJPHR-OAQYLSRUSA-N 445.475 4.427 5 20 IIBD CC[C@@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC[C@@H]1NC(=O)OC(C)(C)C 769486571 UTNDVASCCOTJTQ-ZBFHGGJFSA-N 442.354 4.483 5 20 IIBD Cc1cc(I)cc(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)c1C 769658046 RVRQTESUJQZAAI-UHFFFAOYSA-N 432.164 4.347 5 20 IIBD CC(C)n1ncc2cc(S(=O)(=O)Oc3c(Br)cccc3[N+](=O)[O-])ccc21 769927977 XKTWNJHGWKAPHQ-UHFFFAOYSA-N 440.275 4.056 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CCN(C(=O)c2cccc3ccccc23)CC1 770012200 YUUALJLRVUQJPT-UHFFFAOYSA-N 438.871 4.391 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NC[C@@H](O)c2ccc(C)cc2)c([N+](=O)[O-])c1 770160026 PVNHGSTUSKHSKG-JOCHJYFZSA-N 434.448 4.066 5 20 IIBD C[C@@H](OC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 772114077 OVQCQPYQKQTFNF-CQSZACIVSA-N 443.456 4.055 5 20 IIBD O=C(OCc1cccc(Cl)c1Cl)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 773431075 RMPYMAKNRWJCEX-LBPRGKRZSA-N 429.281 4.311 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1F 773614424 WREKIEGDNHDOBK-QMMMGPOBSA-N 431.239 4.050 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC(C(=O)C(F)(F)F)CC2)cc1OC 775862031 ZOEASXXYPQRZQM-ZDUSSCGKSA-N 432.439 4.372 5 20 IIBD CC1CCN(C(=S)SCC(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])CC1 776217296 HMMLMPVFSPIUPZ-HXUWFJFHSA-N 445.566 4.372 5 20 IIBD O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1cccc([N+](=O)[O-])c1N1CCOCC1 776305258 FHWQZRIWOAMXJA-UHFFFAOYSA-N 444.919 4.327 5 20 IIBD O=C(Nc1ccnc(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 778281447 SVDJFDPQXAVBDG-UHFFFAOYSA-N 429.786 4.016 5 20 IIBD O=C(/C=C/C(=O)Nc1ccc2n[nH]cc2c1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 778761172 HMNICUUMKCTOMA-ZHACJKMWSA-N 443.419 4.397 5 20 IIBD O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781674633 OBONYCNBNUFJEI-INIZCTEOSA-N 443.765 4.321 5 20 IIBD Cc1cc(C(=O)COC(=O)c2cccc([N+](=O)[O-])c2Br)c(Cl)cc1F 781674980 NFYGASBOFQVRQC-UHFFFAOYSA-N 430.613 4.498 5 20 IIBD O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1cnn(-c2ccccc2)c1Br 782122690 BYEPYNDORDEEAJ-UHFFFAOYSA-N 438.241 4.344 5 20 IIBD COc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccccc3[N+](=O)[O-])sc2C)cc1 782171087 XIFZHUXUGZZFQR-UHFFFAOYSA-N 426.450 4.436 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 782524450 RSEAUXBSEQVXQY-CYBMUJFWSA-N 431.802 4.010 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1[N+](=O)[O-] 784621297 AMTDVWOBYOUTBD-MELADBBJSA-N 438.322 4.079 5 20 IIBD Cc1cc2c(Br)ccc(C(=O)OCC(=O)Nc3ccccc3[N+](=O)[O-])c2o1 785804029 RKEAKOAMMASOKY-UHFFFAOYSA-N 433.214 4.207 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1 786346977 DNGGZBPOAMBJDK-OAHLLOKOSA-N 447.207 4.148 5 20 IIBD CCOC(=O)C1(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CCCC1 791837014 OUTGKHQBHPQWJQ-INIZCTEOSA-N 440.500 4.016 5 20 IIBD CCC(=O)c1ccc(N2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)c([N+](=O)[O-])c1 795071106 QFXLQLGFVNRTFR-UHFFFAOYSA-N 431.876 4.402 5 20 IIBD COc1cc(SC)ccc1NC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] 803227696 NGRLAQCZOUQRDM-UHFFFAOYSA-N 440.319 4.163 5 20 IIBD O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(F)(F)c1ccc([N+](=O)[O-])cc1 811216374 IMGDFIGLOVPXSD-UHFFFAOYSA-N 435.364 4.462 5 20 IIBD Cc1ccc(OCc2nc(COC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)cs2)cc1 811585325 IOYRIYSXXUAWJY-UHFFFAOYSA-N 442.449 4.067 5 20 IIBD COCCn1c(Cn2ccc3ccccc32)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 812169451 JWBKOATWLGOGFP-UHFFFAOYSA-N 446.511 4.005 5 20 IIBD COC1CCN(C2(CNC(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])CCCC2)CC1 812983667 BTVMWUYULOUWQV-UHFFFAOYSA-N 430.332 4.055 5 20 IIBD COc1cc(Br)c(C(=O)COc2cccc(Cl)c2[N+](=O)[O-])cc1OC 814775431 LEYVAKKUWPIMKI-UHFFFAOYSA-N 430.638 4.290 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN3CCC4(CC3)OCCCO4)o2)c(Br)c1 816645550 ASTPOMOTVZUBOC-UHFFFAOYSA-N 437.290 4.346 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1Cl 823366650 MWQCIKWMYJJSOO-AWEZNQCLSA-N 442.859 4.235 5 20 IIBD O=C(OCc1nc2ccccc2c2ccccc12)c1ccc(N2CCCS2(=O)=O)cc1 824517514 XUDXNLASYRXFNY-UHFFFAOYSA-N 432.501 4.285 5 20 IIBD O=[N+]([O-])c1cc(I)cc(-c2nc(-c3nccc4ccccc34)no2)c1 904594032 OTORKHORCZVXQV-UHFFFAOYSA-N 444.188 4.465 5 20 IIBD CCc1c(C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cnn1-c1ccc(C)cc1 914905748 IVDIGKOBYHYAGJ-UHFFFAOYSA-N 433.424 4.058 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)OC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)n2)cc1F 915512600 YIVCEPORIBIAMC-CYBMUJFWSA-N 437.387 4.196 5 20 IIBD CCCCN1C(=O)CC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]1c1ccc(OC)cc1 916757048 ODNRSRJMVUQNBT-GCJKJVERSA-N 443.475 4.461 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccccc1CN1CCc2ccccc21 917738346 FCLYAURMCYKJNG-UHFFFAOYSA-N 427.464 4.146 5 20 IIBD CC1=C(C(=O)OC(C)C)[C@H](c2csc([N+](=O)[O-])c2)NC(=O)N1CCc1cccs1 917933296 IWFMVTCPXVAFRV-KRWDZBQOSA-N 435.527 4.252 5 20 IIBD C[C@@H](NC(=O)CCCCCn1c(S)nc2ccccc2c1=O)c1cccc([N+](=O)[O-])c1 918134652 BKGVZHFCLHGAJE-OAHLLOKOSA-N 440.525 4.031 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 918298744 AATQBULWVXECFO-LBPRGKRZSA-N 444.900 4.203 5 20 IIBD O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 918539307 BYLVYRXRGUUTBF-SECBINFHSA-N 445.756 4.398 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])OCC(=O)N(c1ccccc1)C1CCCCC1 919491507 IGYPAEXNNRCJIT-UHFFFAOYSA-N 426.469 4.273 5 20 IIBD CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)OCc1ccc(Cl)c(Cl)c1 920116659 OPYOXYLKOIWRNQ-ZDUSSCGKSA-N 447.296 4.090 5 20 IIBD CC(C)[C@H](NC(=O)COC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 920776927 BFVNVESRNOEAJP-XOBRGWDASA-N 434.876 4.072 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)C1(c2ccc(C(C)(C)C)cc2)CC1 1317826525 HKEFWVNLWGOKCT-UHFFFAOYSA-N 426.469 4.114 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(-c3ccc(F)cc3Br)o2)c1N1CCOCC1 1327898143 CHGLPOCNJQEQFM-UHFFFAOYSA-N 449.236 4.050 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(-c3cc(F)ccc3Br)o2)c1N1CCOCC1 1327906494 OEKINQSDOJARIV-UHFFFAOYSA-N 449.236 4.050 5 20 IIBD COCCn1c(-c2cccc3ccccc23)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1347410190 NBHYPSREHBDTLS-UHFFFAOYSA-N 429.480 4.216 5 20 IIBD Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cccn4C)cc3)CCC2)cc1[N+](=O)[O-] 1787264502 WMAGMRAJINVOFH-UHFFFAOYSA-N 446.507 4.232 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc(F)c4[N+](=O)[O-])cc3)CCC2)no1 1790697961 FUKTUUWBOJNXOQ-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1CC(F)(F)C1 1801206767 YEXRWRKNJRCJKC-QDMKHBRRSA-N 449.479 4.107 5 20 IIBD Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(C)CCC3)CC2)cc1[N+](=O)[O-] 1830362003 JWJBYZOBADVKHW-NRFANRHFSA-N 441.572 4.256 5 20 IIBD C[C@@H]1C[C@@]1(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830621668 QBARGDNKRYQJOH-NFHUAXAMSA-N 431.508 4.013 5 20 IIBD C/C=C(/C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1831352548 LCINJORAFNWUJL-YNGOOKITSA-N 425.529 4.194 5 20 IIBD CCC[C@H]1CC[C@H](C(=O)N2CCCC23CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C3)CC1 1846076115 CUNQZANVKPYJSD-XUTJKUGGSA-N 441.572 4.337 5 20 IIBD O=C(COC(=O)c1cc2c(s1)-c1ccccc1OC2)Nc1cc([N+](=O)[O-])ccc1F 9817880 QBHGUDALFHMXON-UHFFFAOYSA-N 428.397 4.150 5 20 IIBD COc1c([N+](=O)[O-])cc(NCCOc2cccc(C)c2)c([N+](=O)[O-])c1Br 14261987 BJYCFKVDKFDXIR-UHFFFAOYSA-N 426.223 4.073 5 20 IIBD O=C(Nc1ccc(Cl)cc1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 15417886 OQCGLGHQDUWUOV-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD Cc1nc(-c2cccc(Cl)c2)sc1C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-] 16132538 QBGHKTPSWKSTPN-UHFFFAOYSA-N 431.857 4.136 5 20 IIBD CC(=O)c1c[nH]c(C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)c1 18601406 FBNFHIKNUICFET-LJQANCHMSA-N 441.827 4.316 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC(c2nc3ccccc3s2)CC1 18941760 ROEVZMBANXOBRQ-AWEZNQCLSA-N 440.525 4.420 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2ccc3ccccc3c2)cc1OC 18969391 JWTUCYBRVQNLEV-AWEZNQCLSA-N 438.436 4.339 5 20 IIBD O=C(COC(=O)c1csc(-c2ccc(F)cc2)n1)Nc1ccc(Cl)cc1[N+](=O)[O-] 19616432 OPLPEUBGGMYENT-UHFFFAOYSA-N 435.820 4.306 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)ccc1-n1cnnn1 29101545 YAZXAUKOVYLNDU-UHFFFAOYSA-N 432.465 4.282 5 20 IIBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1OCCc1ccccc1 32631599 VNIQZUIPTDJCIR-UHFFFAOYSA-N 428.466 4.026 5 20 IIBD C[C@@H]1CCCN(Cc2ccccc2CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 72009925 JAWPASCPYRKRHA-LJQANCHMSA-N 436.556 4.357 5 20 IIBD CCOc1ccc([C@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc23)c2ccccc2)cc1 78777411 GBDGCWVJPIGKDB-XMMPIXPASA-N 443.459 4.354 5 20 IIBD CCC1(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCN(C(=O)c2ccccc2)CC1 96004469 SVWUSWBFKDTLQN-UHFFFAOYSA-N 437.540 4.366 5 20 IIBD O=C(c1ccc(F)cc1)[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 301344159 GGPFZZYPALARDJ-KRWDZBQOSA-N 425.460 4.069 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCc3nccn3C(F)F)cc2[N+](=O)[O-])n1 303082562 WDCYTPMRYOBPSU-UHFFFAOYSA-N 425.442 4.033 5 20 IIBD C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1ccc2c(c1)CCCC2 303440651 BXFYVPFFQUXVHP-KDOFPFPSSA-N 427.526 4.017 5 20 IIBD Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)sc1Cc1cccc(F)c1 409523665 VWZCGYQYBVUUHF-UHFFFAOYSA-N 425.438 4.030 5 20 IIBD COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 409539698 UUCVZYVVLHWVCF-NVXWUHKLSA-N 425.466 4.478 5 20 IIBD Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 426354460 ZPCHLXTVBVGBGR-MRXNPFEDSA-N 425.411 4.140 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc2ccc(OCC(F)(F)F)cc2s1 427290385 ZSPLVVLOXHPGQN-UHFFFAOYSA-N 427.360 4.407 5 20 IIBD O=C(Nc1ccc(Cl)c(C(=O)NC2CC2)c1)c1cc(Br)cc([N+](=O)[O-])c1 432640566 FUTPLJVJNMKCQK-UHFFFAOYSA-N 438.665 4.155 5 20 IIBD CC(C)[C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCc2ccccc2C1 436116579 VYGTWDGYHITTPY-SANMLTNESA-N 439.559 4.494 5 20 IIBD CCN(CC)[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1ccco1 436309454 RZUPTDFTJLKEDO-IBGZPJMESA-N 439.462 4.365 5 20 IIBD O=C(Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1)c1ccc(O)c([N+](=O)[O-])c1 436945964 HUSJPBSHZWTEGT-UHFFFAOYSA-N 427.848 4.191 5 20 IIBD Cc1ccc(C(=O)NCCNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])cc1 440474717 RBVANIBGWGLAIJ-UHFFFAOYSA-N 435.505 4.214 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N1CCC2(CCOCC2)C1 440599842 QBULZKMTLSLRFQ-UHFFFAOYSA-N 446.507 4.019 5 20 IIBD CO[C@H]1CCCC[C@@H]1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 441733745 FOUYNSMZWZQABI-VXKWHMMOSA-N 434.496 4.064 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCC(O)(Cc2cccc(F)c2)CC1 444335252 GFNJFGLFERCBNZ-UHFFFAOYSA-N 448.469 4.169 5 20 IIBD Cc1nn(Cc2ccc(-c3nc(CCc4ccc5c(c4)CCO5)no3)cc2)c(C)c1[N+](=O)[O-] 445602753 XAIDGOUZDRNPCN-UHFFFAOYSA-N 445.479 4.227 5 20 IIBD O=C(Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])c1cc(OCC(F)F)ccn1 446423518 FSCWXBRRMKHDOZ-UHFFFAOYSA-N 429.379 4.465 5 20 IIBD Cc1sc(=O)n(CCC(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])c1C 446428683 XQINBDHULITSEQ-UHFFFAOYSA-N 427.482 4.043 5 20 IIBD CCC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(=O)Nc1cccc(N2CCCC2)c1 446484264 HQPYEJSAELZCJG-OAQYLSRUSA-N 439.516 4.432 5 20 IIBD Cc1cccc(C(=O)N2CCCC2)c1NC(=O)c1sc(Br)cc1[N+](=O)[O-] 447352175 XMPCTKUGOTXGLD-UHFFFAOYSA-N 438.303 4.216 5 20 IIBD C[C@H]1CN(c2cccc3cnccc23)CCN1[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 447400886 SURMXPFFWYMMRF-IRXDYDNUSA-N 444.495 4.465 5 20 IIBD Cc1cc(C[C@H](C)Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])n(-c2ccccc2)n1 448059154 XJQLZKPZNLHOHL-INIZCTEOSA-N 444.495 4.097 5 20 IIBD CCNc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)cc1[N+](=O)[O-] 460473847 VDLRSKFMUOATGU-QFIPXVFZSA-N 446.507 4.031 5 20 IIBD COc1ccc(CSCc2nc(-c3ccc(Br)cn3)no2)cc1[N+](=O)[O-] 460830133 OONJFGAAYPQYBW-UHFFFAOYSA-N 437.275 4.244 5 20 IIBD C[C@H]1N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cccs2)CCC12CCOCC2 461316598 VBQPTRIPCHNOFC-MRXNPFEDSA-N 439.541 4.359 5 20 IIBD O=[N+]([O-])c1ccc(NCc2cc(Br)c3c(c2)OCCO3)cc1OC(F)F 462373282 OASIRJYSOAASLS-UHFFFAOYSA-N 431.189 4.342 5 20 IIBD C[C@@H]1C[C@@H](c2cccc(F)c2)N(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 462721364 SMFSXXHDNCQECV-ABAIWWIYSA-N 443.294 4.268 5 20 IIBD CCc1nc(CN2CCC(CNC(=O)[C@H](CC)Cc3ccc([N+](=O)[O-])cc3)CC2)cs1 462987779 IDJHMQGYVPPHPA-LJQANCHMSA-N 444.601 4.211 5 20 IIBD Cc1ccc(Br)cc1NC(=O)CCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C 463954984 MCXUJNLKXZGQRF-UHFFFAOYSA-N 449.305 4.433 5 20 IIBD O=C(c1cnn(-c2ccc(Cl)cc2)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464623111 BIGGBSJVROANFR-UHFFFAOYSA-N 426.860 4.118 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1 467365501 JVCXSHJRBKGNCT-INIZCTEOSA-N 434.378 4.260 5 20 IIBD C[C@H](CCNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1cccc(C(F)(F)F)c1 469997992 DFXWRHUZRYWTQV-CYBMUJFWSA-N 438.402 4.237 5 20 IIBD Cc1cnn(Cc2ccccc2F)c1NC(=O)c1ccc([N+](=O)[O-])cc1Br 470187376 ZJWAWIVEXCFJNM-UHFFFAOYSA-N 433.237 4.302 5 20 IIBD CC(C)Oc1ccc(-c2cccc([C@@H](C)N(C)C(=O)Cn3cc([N+](=O)[O-])ccc3=O)c2)cc1 470882142 XUENWDPLHYOBER-GOSISDBHSA-N 449.507 4.430 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 472565479 PXWDXQDCGNXDGB-INIZCTEOSA-N 426.231 4.343 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F 472686324 LTHIBFJKCCAUQO-RDJZCZTQSA-N 439.365 4.144 5 20 IIBD CCOc1ccc(C(=O)CCC(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cc1F 474873015 MGRNHNLLDTYUSM-UHFFFAOYSA-N 426.404 4.124 5 20 IIBD CCCCN(C)C(=O)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 475202416 DJGMRGFYSKQLRM-UHFFFAOYSA-N 430.427 4.116 5 20 IIBD O=C(N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)c1cc(O)cc([N+](=O)[O-])c1 476545713 WKOXSRBIEKEXFV-IBGZPJMESA-N 442.269 4.172 5 20 IIBD O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 476867426 YNWOWUYCPCGCFQ-GFCCVEGCSA-N 447.278 4.164 5 20 IIBD CC(C)c1cccc(C(C)C)c1NC(=O)Cn1cc(Br)c(=O)c([N+](=O)[O-])c1 477392440 LIBOOTPFRSBSMZ-UHFFFAOYSA-N 436.306 4.405 5 20 IIBD CCC(=O)c1ccc(NCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c([N+](=O)[O-])c1 479371728 OPRGJPCDEIRSML-HZPDHXFCSA-N 425.485 4.049 5 20 IIBD CCN(CC)C(=O)Nc1ccc([C@H](C)NS(=O)(=O)c2c([N+](=O)[O-])ccc(C)c2C)cc1 480867105 KXVCVAVORMRIOI-INIZCTEOSA-N 448.545 4.125 5 20 IIBD CCn1c(S[C@H](C)C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)nnc1-c1ccc([N+](=O)[O-])cc1 481348408 PWSRTPMMMSNEBP-DHBZOUTCSA-N 443.573 4.295 5 20 IIBD CCOc1cc(CN(C)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)ccc1OC(F)F 481659308 NOFXHBRAJZCJHP-UHFFFAOYSA-N 446.410 4.053 5 20 IIBD CCCCN1C(=O)C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H]1c1ccc(OC)cc1 481661802 WTYFYQDQAHJHCC-SIKLNZKXSA-N 425.485 4.240 5 20 IIBD CCC[C@H](NC1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1)c1cccc([N+](=O)[O-])c1 481733763 IXFBWSVGOZQBHA-QHCPKHFHSA-N 445.585 4.488 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2ccc(Br)s2)nn1 484583369 LTQMBXLPIWEKMB-UHFFFAOYSA-N 433.287 4.447 5 20 IIBD COC(=O)[C@@H](C)N(C)C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 484682474 UJNOVPDLXBIMMW-IZCBMXNHSA-N 439.493 4.155 5 20 IIBD Cc1c(NC(=O)CCN2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)cccc1[N+](=O)[O-] 485365145 VLLLZCACJFMTAJ-URXFXBBRSA-N 436.556 4.218 5 20 IIBD Cc1ccc2c(c1)SCCCN2S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 488399893 SGCLYXNJBIUNRK-UHFFFAOYSA-N 443.344 4.357 5 20 IIBD O=C1CN(Cc2ccccc2)[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)N1 489127011 CNACFYSMCXWNAX-HXUWFJFHSA-N 442.269 4.248 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 490608962 ADUMGSQGLUQGDO-AWEZNQCLSA-N 449.458 4.382 5 20 IIBD Cn1cc(C(=O)NCc2ccccc2CN2CCCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 493965691 UYLWOLHRWCBFPT-UHFFFAOYSA-N 447.539 4.301 5 20 IIBD C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] 498809090 XQCIPQHIZYSUMP-MRXNPFEDSA-N 438.505 4.427 5 20 IIBD CC(C)(CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccc(F)cc1Cl 498918989 NELLQDOHABUUNV-UHFFFAOYSA-N 435.883 4.249 5 20 IIBD CNC(=O)c1ccc(Cl)c(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 500261427 NRXZYAGBALVTCN-UHFFFAOYSA-N 447.822 4.357 5 20 IIBD CC(=O)NCCN(Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc(Cl)cc1Cl 502863641 XTXPTKJXRPZCIG-UHFFFAOYSA-N 437.283 4.181 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCOc1ncccc1C(F)(F)F 503607942 JEDPUGDSBZWRBI-UHFFFAOYSA-N 429.420 4.320 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)CSc2ccccc2OC)cc1SC 505063936 VFLKLLWGZOPTIW-CYBMUJFWSA-N 436.555 4.492 5 20 IIBD COc1ccccc1[C@@H]1CN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CCN1 505572910 OWSXHXYEOIJHBK-NRFANRHFSA-N 432.480 4.134 5 20 IIBD O=C(CNc1cccc(COc2ccc(F)cc2)c1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 506266969 GOJYTSXXGNKUEJ-UHFFFAOYSA-N 439.399 4.092 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)CCSc1ncnc2sc(C)c(C)c12 509180977 FVGPUYZWOWCPIO-UHFFFAOYSA-N 432.527 4.024 5 20 IIBD C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 512188167 WLPLVPMXVORCNN-ZDUSSCGKSA-N 449.916 4.349 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 512966333 HNGJHYCMVUGYHO-UHFFFAOYSA-N 433.493 4.219 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 516023260 JLTKBFFQKSXUAF-HNNXBMFYSA-N 439.802 4.152 5 20 IIBD COc1ccc(CNC(=O)NCC2(c3ccc(Br)cc3)CCC2)cc1[N+](=O)[O-] 516149668 FMQIAJUXSUTPJH-UHFFFAOYSA-N 448.317 4.287 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 519027596 SRTXTJHVOONUAM-MRXNPFEDSA-N 447.495 4.213 5 20 IIBD Cc1cccc(NC(=O)[C@@H](C)SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c1C 522671191 ZRIRQRQBKAATPX-OAHLLOKOSA-N 429.498 4.270 5 20 IIBD COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 523255172 HZZOTBHVHGZQFE-CQSZACIVSA-N 431.901 4.480 5 20 IIBD COc1ccc(Cl)cc1C[C@@H]1CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 524946086 WHYZQNOYKNGKLN-AWEZNQCLSA-N 438.933 4.119 5 20 IIBD Cc1ccccc1[C@H](CC(C)C)NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 525438418 BDVOKAVNHCJEBP-QFIPXVFZSA-N 438.528 4.158 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccnc2-c2ccc(C)s2)cc1OC 525850958 BLQWKQHHUVTJEN-UHFFFAOYSA-N 443.481 4.313 5 20 IIBD CCc1nc(C)c([C@H](C)N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)s1 532584678 OHEIBHQLSBPOSE-NSHDSACASA-N 441.351 4.316 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC[C@@H]3[C@@H](O)C(F)(F)F)cc2[N+](=O)[O-])n1 533017781 HWHIGFZSSWZDEC-BXUZGUMPSA-N 447.460 4.039 5 20 IIBD CC(C)N(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(=O)Nc1ccc(F)cc1 533369562 CMNGKAIAFOBNOZ-UHFFFAOYSA-N 426.448 4.281 5 20 IIBD O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 534222220 GMASSWJRQFCCGX-AWEZNQCLSA-N 435.415 4.285 5 20 IIBD O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(Sc2ccccc2Cl)nn1 534744772 XKZLLCUWOCGAEO-UHFFFAOYSA-N 426.845 4.318 5 20 IIBD O=C(NCc1ccccc1)c1cccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 535669587 XJZDUKWXVZMZQX-UHFFFAOYSA-N 430.464 4.351 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 536190653 FJYXLQUBJHBLMJ-QGZVFWFLSA-N 446.429 4.028 5 20 IIBD CC(C)Oc1ccc(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c(C(F)(F)F)c1 536706540 NYEADIPBYYNGOC-UHFFFAOYSA-N 438.449 4.478 5 20 IIBD CCOc1cc(NC(=O)N[C@H](COC)c2ccc(F)c(F)c2)c([N+](=O)[O-])cc1OCC 536980749 XRQKLHBADSPMLA-MRXNPFEDSA-N 439.415 4.180 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@H]3CCCOc4cc(F)ccc43)cc2)c(C)c1[N+](=O)[O-] 537486156 KZAGRUUKXMWREO-FQEVSTJZSA-N 438.459 4.239 5 20 IIBD Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)ccc1[N+](=O)[O-] 537653881 GGKYAAKHAZBWCX-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC=C(c2ccc3c(c2)OCCO3)CC1 537761703 AFCAWHJGVJHKHB-UHFFFAOYSA-N 445.269 4.058 5 20 IIBD C[C@H](C(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1)c1ccc([N+](=O)[O-])cc1F 541692909 UGSIKXOKEAVGHZ-AWEZNQCLSA-N 428.439 4.458 5 20 IIBD C[C@H](C(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1)c1ccc([N+](=O)[O-])cc1F 542537209 MNIVMETXNOFHBU-INIZCTEOSA-N 445.454 4.402 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1sc(-c2ccccc2)nc1C 543518979 SVOZFCYRUNMSIH-ZDUSSCGKSA-N 426.498 4.325 5 20 IIBD CN(C(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1 544622299 WBTPRROCKDEEOC-NRFANRHFSA-N 436.443 4.130 5 20 IIBD COc1ccc(-c2nc(Cc3c[nH]c4ccc(Br)cc34)no2)cc1[N+](=O)[O-] 545692592 QHMUWIRXWMKVOA-UHFFFAOYSA-N 429.230 4.488 5 20 IIBD CCc1cccc(Oc2cc(-c3noc(CCn4nc(C)c([N+](=O)[O-])c4C)n3)ccn2)c1 547209531 PRYHPDHNLFYJMG-UHFFFAOYSA-N 434.456 4.451 5 20 IIBD O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 549770804 GOFWVONLIVRAPE-UHFFFAOYSA-N 438.871 4.399 5 20 IIBD O=C(CCNC1(Cc2ccc(F)cc2Cl)CCOCC1)Nc1ccc([N+](=O)[O-])cc1 550031965 CSAHSDCLFTZMBX-UHFFFAOYSA-N 435.883 4.097 5 20 IIBD CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c1 550596948 DFATXQMPBSOLLE-LBPRGKRZSA-N 448.317 4.124 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc(Br)cn1 551677359 NDMDOCAVTSRXIU-VIFPVBQESA-N 443.095 4.314 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)S(=O)(=O)c1ccc(Cl)cc1Cl 555095003 MWOVGYMJOVXTCR-SECBINFHSA-N 428.253 4.487 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)c1cccc2ccccc12 556504500 LAPCFXLLVPUJDV-LBPRGKRZSA-N 442.269 4.326 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1CCOC[C@@H]1[C@@H]1CCCO1 557557499 YBBUTJBXXPJCOS-MOPGFXCFSA-N 448.928 4.419 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(C(C)(C)c3csc(-c4ccccc4F)n3)n2)n1C 559978253 WDKDZPSFYJKXAK-UHFFFAOYSA-N 428.449 4.275 5 20 IIBD CC[C@H]1Cc2c(Br)cccc2CN1c1nc(O)c2cc([N+](=O)[O-])ccc2n1 561321695 VRQLYWAHZUZDBR-LBPRGKRZSA-N 429.274 4.347 5 20 IIBD COCCC[C@@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccc(Cl)cc1 566329857 OEBFIKOQUIPCMX-KRWDZBQOSA-N 442.903 4.374 5 20 IIBD C[C@H](NCCOc1ccc(S(C)(=O)=O)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 567535017 SVRWNDLTOOPFNJ-HNNXBMFYSA-N 446.550 4.456 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2 569025507 JIIFIVSGJHGQRT-UHFFFAOYSA-N 439.465 4.029 5 20 IIBD Cc1cc(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)nn1C1CCCCC1 572450743 RQBPMSGSFPUTHA-CYBMUJFWSA-N 439.438 5.063 5 20 IIBD O=C(Nc1ccc(F)cc1-c1nc(C2CC2)no1)N1CCOc2ccc([N+](=O)[O-])cc2C1 573170119 HRYSJJGVWLFZEY-UHFFFAOYSA-N 439.403 4.088 5 20 IIBD CO[C@H](c1ccc(F)cc1)c1noc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 574365008 SBIXOTFMNMOUQT-RTBURBONSA-N 440.431 4.138 5 20 IIBD COc1ccc(C[C@@](C)(O)CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1OC 576197814 VDPJJHFMSSUHKE-JWQCQUIFSA-N 436.508 4.285 5 20 IIBD Cc1ccc(C)c(OCc2nnc(S[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)o2)c1 594640997 QZPKGKSPGCGCDJ-CQSZACIVSA-N 428.470 4.293 5 20 IIBD CCN(CC)C(=O)COc1ccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1Cl 604095387 OTPQPKANRCGYHK-UHFFFAOYSA-N 444.875 4.229 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)N(C)C[C@H]2CCCO[C@H]2c2ccccc2)cc1[N+](=O)[O-] 604520968 PNXPCXUMNDIOHO-UZLBHIALSA-N 438.933 4.345 5 20 IIBD Cc1cc(OC(C)C)ccc1NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 608804569 APFWEBYINZGDCY-OAQYLSRUSA-N 425.485 4.242 5 20 IIBD O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 608875033 JZSMZPWGDGPPIY-UHFFFAOYSA-N 444.329 4.102 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](Cc2ccc(OC)c(OC)c2)c2ccccc2)c1 608948651 HELZHTNINQGEFQ-HXUWFJFHSA-N 436.464 4.334 5 20 IIBD O=C(NCc1nc[nH]n1)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2 609526309 OISUMNOTOJGRAE-WJDWOHSUSA-N 440.463 4.068 5 20 IIBD CCCOc1cc(NC(=O)N2CCC[C@H](c3cc[nH]n3)C2)c([N+](=O)[O-])cc1OCCC 609638607 PKBQGBVRYDOVCC-HNNXBMFYSA-N 431.493 4.307 5 20 IIBD C[C@@H](NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1nnnn1-c1ccccc1 609780984 IHRMPDCWPGFTQE-OAHLLOKOSA-N 445.439 4.246 5 20 IIBD C[C@]1(CNC(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)CCOC1 609816383 JUTCTBACLGZVDD-HXUWFJFHSA-N 437.855 4.405 5 20 IIBD CC(C)CNC(=O)N1CCC[C@H](CC(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)C1 610156918 GMJUSIXKSJVJOL-GOSISDBHSA-N 430.549 4.338 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N1CCC(C2CCCC2)CC1 610299467 QOAVBVOQTSQIPI-UHFFFAOYSA-N 428.270 4.242 5 20 IIBD O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 610861073 PBYULWLWVXBXAZ-GOSISDBHSA-N 439.537 4.267 5 20 IIBD COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 611098108 IYCSJIQAGIHRGJ-HNNXBMFYSA-N 437.456 4.067 5 20 IIBD C[C@H](C(=O)NCC1(c2cccc(Br)c2)CCOCC1)c1cccc([N+](=O)[O-])c1 617703020 ZIBMAQSYNOZRNU-HNNXBMFYSA-N 447.329 4.325 5 20 IIBD CC(C)(C)OC(=O)N1CCC(N(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C2CC2)CC1 725720378 ZQHZXRJTLZBCSE-UHFFFAOYSA-N 428.489 4.080 5 20 IIBD CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 725749118 AFUKPXUASKJSQP-GOSISDBHSA-N 449.551 4.013 5 20 IIBD Cc1noc2nc(C(C)C)cc(C(=O)OCC3CCN(c4ccc([N+](=O)[O-])cn4)CC3)c12 726335048 UQGXTEOLSMVONX-UHFFFAOYSA-N 439.472 4.031 5 20 IIBD CN(C(=O)c1ccc(I)c([N+](=O)[O-])c1)c1nc2ccccc2s1 727749366 FNIFUWDTASKGEG-UHFFFAOYSA-N 439.234 4.086 5 20 IIBD C[C@@H](OC(=O)Cc1cccc(Cl)c1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 727879146 GQQFYGJUIWDSTD-GFCCVEGCSA-N 445.884 4.485 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1SC 728466069 DEODGTYNMBCMAD-CHWSQXEVSA-N 449.504 4.330 5 20 IIBD O=C(Cc1ccccc1C(F)(F)F)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730703789 PAWJDGFGKPZUOW-OAHLLOKOSA-N 436.386 4.004 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1COC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 733449737 LEJTZAUSNIOGQL-LBPRGKRZSA-N 448.394 4.092 5 20 IIBD CC[C@@H]1c2ccccc2CCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 734003340 KQGCLPOHEDURII-OAHLLOKOSA-N 425.304 4.055 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(CSCc2nnnn2-c2ccccc2Br)c1 735506416 HJUVFTFYPFDNBW-UHFFFAOYSA-N 440.710 4.420 5 20 IIBD Cc1oc(-c2ccccc2F)nc1C(=O)O[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 738670141 BAQSLGFMBCTBHJ-NSHDSACASA-N 431.351 4.020 5 20 IIBD COc1cc(N2CCC(OC(=O)COc3ccc4ccccc4c3)CC2)ccc1[N+](=O)[O-] 739378929 AADYYQAQEAZYDR-UHFFFAOYSA-N 436.464 4.348 5 20 IIBD CN(C(=O)COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCCc2ccccc21 744065042 XATRXXHREITBCQ-QGZVFWFLSA-N 436.386 4.306 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1F)N(C[C@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F 744382948 BVQBFVWMFDSXDG-INIZCTEOSA-N 439.409 4.261 5 20 IIBD C[C@@H](OC(=O)c1ccccc1NC(=O)c1ccsc1)C(=O)Nc1cccc([N+](=O)[O-])c1 744616016 FCUMCBILBGBZAU-CYBMUJFWSA-N 439.449 4.093 5 20 IIBD CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 747404841 YQRXJCUQSSRUCW-SFHVURJKSA-N 432.521 4.058 5 20 IIBD O=C(Nc1ccc(OC(=O)[C@H]2CC23CCOCC3)cc1)c1cc([N+](=O)[O-])ccc1Cl 749341106 VLAGNUICOINNMP-QGZVFWFLSA-N 430.844 4.223 5 20 IIBD O=C(c1ccccc1OC(F)F)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 750583157 NSXFTQYSLOHTSF-UHFFFAOYSA-N 427.201 4.157 5 20 IIBD COc1cc(OC)c(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cc1F 750892878 KAARFQKQHJXNME-UHFFFAOYSA-N 433.617 4.419 5 20 IIBD C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1cc(F)ccc1N1CCC(O)CC1 755460667 CVOJVBVFBPSXKD-ZDUSSCGKSA-N 443.500 4.401 5 20 IIBD COc1ccc(-c2ccc(CN[C@H]3CCN(c4c(F)cccc4F)C3=O)o2)c([N+](=O)[O-])c1 756152244 ZERRIMNWDQVFBA-SFHVURJKSA-N 443.406 4.037 5 20 IIBD CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[C@H]1NC(=O)OC(C)(C)C 757364681 FXGTXDCAUZJSQF-MLGOLLRUSA-N 445.438 4.379 5 20 IIBD COc1ccc(C(=O)CC(C)(C)CC(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 759823893 JNTWXJKWKMFSFE-UHFFFAOYSA-N 443.452 4.202 5 20 IIBD O=C(Nc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)c(F)cc1F)c1cccc([N+](=O)[O-])c1 759854162 QJIFYZNSAHXYHT-UHFFFAOYSA-N 442.334 4.286 5 20 IIBD CSc1nc(C(C)(C)C)nc(C)c1C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 761539590 BWSFVUGHUQLMKX-CYBMUJFWSA-N 446.529 4.205 5 20 IIBD C[C@@H](C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1c(F)cccc1F 763824096 GSICJLMYHUGDDB-SECBINFHSA-N 432.301 4.177 5 20 IIBD O=C(Cc1c[nH]c2cc(Br)ccc12)O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 766397860 CPSYEHMWZFFRCT-IAGOWNOFSA-N 447.289 4.305 5 20 IIBD COc1ccc(CSCC(=O)OCc2nc(-c3ccc(F)c(C)c3)no2)cc1[N+](=O)[O-] 767281524 YVKSDQQWUQMWIT-UHFFFAOYSA-N 447.444 4.078 5 20 IIBD COCc1noc(COC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)n1 767744019 WFTXUYUBRSHDEE-UHFFFAOYSA-N 435.845 4.286 5 20 IIBD COc1ccccc1NC(=O)C1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 768841310 KRIXHXNSZLYZLV-UHFFFAOYSA-N 448.317 4.217 5 20 IIBD CCOC(=O)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)c1cccc(C)c1C 770174414 TXSZYXUBUOSCSS-KRWDZBQOSA-N 435.274 4.008 5 20 IIBD COc1cc(NCc2cnn(-c3ccc(Br)cc3)c2)c([N+](=O)[O-])cc1OC 770187028 QXOTYDRZANWHOT-UHFFFAOYSA-N 433.262 4.172 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCC1(c2ccccc2)CCOCC1 774372514 ZKPXBSDPWDRZSX-UHFFFAOYSA-N 431.510 4.239 5 20 IIBD CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 774666804 LBXNYUVTKDVMMN-SNVBAGLBSA-N 440.369 4.090 5 20 IIBD CC[C@@H](NCc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1OCC(=O)N1CCCC1 775055864 RHGVXSXYRKVTGN-LJQANCHMSA-N 431.920 4.490 5 20 IIBD C[C@H](N[C@H](C)c1cccc(N2CCCC2=O)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 775278421 HSCJMLGXJDOOAS-KGLIPLIRSA-N 430.892 4.053 5 20 IIBD COC(=O)c1ccc([C@@H](OC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C(F)(F)F)cc1 778049018 HGKPQYIHWKKPGW-CQSZACIVSA-N 433.285 4.320 5 20 IIBD CC(C)(C)OC(=O)N(CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 778459719 CASQRHUHRGZQAV-UHFFFAOYSA-N 433.892 4.349 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 778754639 ZJWUIXVUKPHCGP-AWEZNQCLSA-N 432.423 4.338 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 779354612 JQGXCMDGFZUFQF-DOMZBBRYSA-N 443.447 4.104 5 20 IIBD COCCOC(=O)Nc1cccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1 780462379 CJLXTCVPMMCLES-UHFFFAOYSA-N 431.448 4.129 5 20 IIBD O=C(Nc1ccc(Cn2cnc3ccccc32)cc1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781634852 IATDQEYGKQRCDQ-QHCPKHFHSA-N 441.447 4.125 5 20 IIBD CCCc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 788094213 NLYFFDDSKBOHHR-UHFFFAOYSA-N 447.513 4.428 5 20 IIBD C[C@@H](OC(=O)c1cc(Br)ncc1[N+](=O)[O-])C(=O)c1ccccc1C(F)(F)F 789078902 GYHJFBAGZUGGIV-MRVPVSSYSA-N 447.163 4.199 5 20 IIBD Cc1c(CNC(=O)N(Cc2ccccc2)C[C@H](O)c2cccs2)cccc1[N+](=O)[O-] 790565209 UAIDRTUDUNDTIC-FQEVSTJZSA-N 425.510 4.410 5 20 IIBD C[C@H]1C[C@H](N(C)C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CCN1Cc1ccccc1 790758934 DVANEKCZMCROSW-MAUKXSAKSA-N 433.911 4.441 5 20 IIBD CCc1c(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cnn1-c1cccc(Cl)c1 791583382 DMKRWACRUMOIHO-UHFFFAOYSA-N 443.847 4.476 5 20 IIBD C[C@H](NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 792837662 BDVVAEAURRZTAT-HKUYNNGSSA-N 440.500 4.004 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@@H](C)c1c(F)cccc1F 797030320 QOJFAODOWVNHQD-YVEFUNNKSA-N 438.452 4.029 5 20 IIBD CC(C)(C)OC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H](c2ccccc2Cl)C1 800645068 IXOGDIOJARFPJJ-KRWDZBQOSA-N 434.880 4.011 5 20 IIBD O=C(Nc1ccccc1C(=O)Nc1cc2n(n1)CCCC2)c1ccc([N+](=O)[O-])cc1Cl 804756989 IUSMMTVYMLBJOF-UHFFFAOYSA-N 439.859 4.286 5 20 IIBD O=C(OCc1c(Cl)ccc(F)c1Cl)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 806013744 VXQXFGIWPQKJGY-LBPRGKRZSA-N 447.271 4.450 5 20 IIBD COCCC[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 807660983 GXRUODLJTRXNCF-HNNXBMFYSA-N 435.864 4.405 5 20 IIBD O=C(NCCc1ccc(OCCN2CCCC2)cc1)Nc1cccc([N+](=O)[O-])c1Cl 809914143 BOIILPCNZMCQFH-UHFFFAOYSA-N 432.908 4.087 5 20 IIBD CC(C)(C)OC(=O)N1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)c2ccccc21 810052266 PFAZTSHLUXTXAX-UHFFFAOYSA-N 437.456 4.407 5 20 IIBD CC(=O)N[C@@H](CC(=O)OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccc(F)cc1F 811086046 MEGBHVBHAAOPSU-INIZCTEOSA-N 447.221 4.491 5 20 IIBD O=C(COC(=O)c1ccccc1OCc1cscn1)Nc1cc(Cl)ccc1[N+](=O)[O-] 811855854 GNWACZLDVOZFHJ-UHFFFAOYSA-N 447.856 4.079 5 20 IIBD O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N(Cc1cscn1)c1ccccc1 815014517 QTITVAMQFJTPKU-UHFFFAOYSA-N 427.866 4.239 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 816723812 MHAZAOREOMKMCU-QAQDUYKDSA-N 433.549 4.320 5 20 IIBD Nc1cc(-c2noc(-c3cccc(Sc4ccc(Cl)cc4)c3[N+](=O)[O-])n2)ncn1 820988785 YCSIEIMDPNZMSU-UHFFFAOYSA-N 426.845 4.489 5 20 IIBD CC(C)C(=O)Nc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)c1 821144311 CQLZYUNAKUQRAN-UHFFFAOYSA-N 432.285 4.297 5 20 IIBD O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 915307543 IARFNNJRDBJRSA-GOSISDBHSA-N 439.299 4.097 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)O[C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)c1 915439986 PADWWALERTYIAF-RDJZCZTQSA-N 432.498 4.029 5 20 IIBD O=C(NCCNc1ncnc2sccc12)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 917136440 ZAVCSEIABKXSIL-UHFFFAOYSA-N 435.465 4.234 5 20 IIBD Cn1c([C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nc2ccccc21 917498139 SZMZTNVNWMBLEH-QGZVFWFLSA-N 434.905 4.051 5 20 IIBD C[C@H](OC(=O)CSc1ccccc1[N+](=O)[O-])C(=O)N(C)Cc1c(F)cccc1Cl 923403371 QXYBCKJZACFJBA-LBPRGKRZSA-N 440.880 4.070 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCC(Nc2ccccc2Cl)CC1 1116526176 TVHRJSNHFUEEBL-UHFFFAOYSA-N 432.864 4.192 5 20 IIBD CCc1ccc([C@@H](NCc2ccccc2N2CCN(C)CC2)c2ccc([N+](=O)[O-])cc2)o1 1116555729 USADDIYLGQYMAA-VWLOTQADSA-N 434.540 4.381 5 20 IIBD O=C(c1ccc(Br)cc1)N1CCC[C@@H]1c1nnc(-c2cccc([N+](=O)[O-])c2)o1 1117203728 JFIBCXYPDRWPSB-MRXNPFEDSA-N 443.257 4.385 5 20 IIBD O=C(NC[C@@H](c1ccccc1)N1CCc2sccc2C1)N1Cc2ccc([N+](=O)[O-])cc2C1 1252355195 IVUUMYBHJFDENS-QFIPXVFZSA-N 448.548 4.481 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCOC1 1256727605 BDJJSYPNHXZELY-HNNXBMFYSA-N 427.892 4.180 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cc2c(C(F)(F)F)cc(O)nc2o1 1317772826 KZZHHPHOTNPTQY-UHFFFAOYSA-N 429.738 4.386 5 20 IIBD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccc(F)cc2n1 1317838556 PSZQHBARZXNOPN-LLVKDONJSA-N 431.807 4.428 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1cn(-c2ccc(Br)cc2)nn1 1322060753 AKVULGYHEKVYMC-UHFFFAOYSA-N 436.653 4.152 5 20 IIBD O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)N1Cc2ccc([N+](=O)[O-])cc2C1 1341183869 UXALVAXTWRASJX-UHFFFAOYSA-N 446.838 4.480 5 20 IIBD CC(C)n1ncc2c1[C@@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])CCC2 1342635834 JTDIYUAKKFLTJS-HNNXBMFYSA-N 426.395 4.121 5 20 IIBD CN1CCC(N2CC[C@H](N(C)Cc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2)CC1 1347220267 AFERJSKREORCNY-SFHVURJKSA-N 432.952 4.109 5 20 IIBD Cc1ccc(C(=O)NC2(c3ccc(NC(=O)Cc4cccc([N+](=O)[O-])c4)cc3)CCC2)o1 1785791645 FITZVBUCFOZAKP-UHFFFAOYSA-N 433.464 4.487 5 20 IIBD C/C=C/C=C\C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(OC)cc3[N+](=O)[O-])CCC2)cc1 1791246140 SLTMTQUSXDLXOQ-BZDQXIRASA-N 449.507 4.412 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)NC1(c2ccc(NC(=O)[C@@H]3C[C@]3(F)Cl)cc2)CCC1 1791669614 JACAQTTUWMHZQN-ZITAYMCYSA-N 447.850 4.260 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(C2(NC(=O)[C@@H]3CCC=CO3)CCC2)cc1 1792317809 OYDQVVRXFVIBAZ-UNJYKCMZSA-N 447.491 4.435 5 20 IIBD Cc1cc(Cl)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc([N+](=O)[O-])cc2F)c1 1800352223 SHZJFWASWZXRFJ-BJWYYQGGSA-N 445.878 4.261 5 20 IIBD CCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cc([N+](=O)[O-])ccc2F)[nH]n1 1821935263 RJTJJSIDRQQWAM-SFHVURJKSA-N 445.495 4.128 5 20 IIBD O=C(c1ccc(F)c(F)c1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823615736 WKTCTVJJKRVVGS-SFHVURJKSA-N 447.438 4.013 5 20 IIBD CC(F)(F)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 1824627986 KQPNUNQMWDCGOW-OAHLLOKOSA-N 441.475 4.103 5 20 IIBD Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)c1 1830553259 JPKNYTZSONCSTN-LJQANCHMSA-N 443.475 4.182 5 20 IIBD CC1(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCCC1 1847326998 OSCFAVKVCRSPSD-IRXDYDNUSA-N 427.526 4.205 5 20 IIBD Cc1ccc(NC(=O)CSc2nnc(NC(=O)c3cccc([N+](=O)[O-])c3)s2)c(C)c1 8791061 STJTXNJRICOUPE-UHFFFAOYSA-N 443.510 4.046 5 20 IIBD Cc1cc(SCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)nc2ccccc12 11976346 MNHVXAOYFITMPM-UHFFFAOYSA-N 425.466 4.344 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1[N+](=O)[O-] 14908159 BHSVPPZEQMAJRJ-UHFFFAOYSA-N 438.513 4.117 5 20 IIBD CC(C)n1ncc2cc(NC(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cnc21 16106808 OLHPZKOZVJBXRW-UHFFFAOYSA-N 436.394 4.380 5 20 IIBD Cc1cccc(-c2nnc(SCc3ccc(C(N)=O)cc3[N+](=O)[O-])n2Cc2ccco2)c1 16814615 QJAYOHAVLOXXRM-UHFFFAOYSA-N 449.492 4.194 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nnc1-c1cccc(C)c1 20168418 NROQIHSTAVUOBX-ZDUSSCGKSA-N 429.477 4.440 5 20 IIBD C[C@@H]1CCN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c2ccccc2S1 22257571 SRTGSIJLYGEBHT-CQSZACIVSA-N 427.482 4.200 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 22669222 TVQNOFWEKDTJAP-RXMQYKEDSA-N 438.692 4.128 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N(C)Cc1nc2ccccc2s1 22669686 PZEVMEPGNRWTTE-LLVKDONJSA-N 433.873 4.062 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)OCc2sc3ccccc3c2Cl)cc1[N+](=O)[O-] 24710026 KXJSYBCGMGTJEX-UHFFFAOYSA-N 425.871 4.223 5 20 IIBD C[C@H](OC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(=O)N[C@H]1CCOc2ccccc21 26342638 IPSCQCZFCYMNCH-KSSFIOAISA-N 426.469 4.078 5 20 IIBD COc1ccc([C@H](C)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])cc1F 26761161 DZPACKSXTISRSA-AWEZNQCLSA-N 437.493 4.090 5 20 IIBD COc1cc(C(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)c([N+](=O)[O-])cc1OC(F)F 27292686 ASZGMEVPFAYMAS-LLVKDONJSA-N 449.410 4.044 5 20 IIBD Cc1ccc2nc(COc3ccc(C(=O)N(C)Cc4ccccc4[N+](=O)[O-])cc3)cn2c1 29848432 MIDPFGWMZUGEIX-UHFFFAOYSA-N 430.464 4.402 5 20 IIBD CCOc1cc(C(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])cc1OC 32964142 HTRVCQXHKLOAOB-UHFFFAOYSA-N 447.919 4.004 5 20 IIBD Cc1ccc(-c2csc3ncn(CCC(=O)N(C)c4ccc([N+](=O)[O-])cc4)c(=O)c23)cc1 58520518 OLMFOWBMSMQDLS-UHFFFAOYSA-N 448.504 4.395 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1ccccn1)c1ccc(Br)cc1 59782247 OTZHQHZZYFDDHX-UHFFFAOYSA-N 442.269 4.365 5 20 IIBD CCOc1ccc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3)c2)cc1[N+](=O)[O-] 60401490 KDYGMIBKBVLROM-UHFFFAOYSA-N 441.465 4.047 5 20 IIBD COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 64785266 WVYUTWUVNKXYEY-YJBOKZPZSA-N 448.903 4.232 5 20 IIBD CN(C)C(=O)c1cc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)ccc1Cl 64909098 QVIPSJKMMHFWEP-UHFFFAOYSA-N 430.873 4.326 5 20 IIBD O=C(CN(Cc1ccc(F)cc1F)C1CC1)Nc1ccc([N+](=O)[O-])cc1Br 108128528 ISRRXHBXDSYEAS-UHFFFAOYSA-N 440.244 4.239 5 20 IIBD C[C@H](NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)c1c(Cl)ccc(F)c1Cl 195588868 QYHGLGHMNRNPPV-VHSXEESVSA-N 428.247 4.036 5 20 IIBD Cc1ccccc1-n1c(Sc2nc3sccn3c2[N+](=O)[O-])nnc1-c1ccncc1 301080276 IWSQTVBWKOFWOS-UHFFFAOYSA-N 435.494 4.406 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCc3ncccc3C)c([N+](=O)[O-])c2)c(C)c1 301201751 PQBIPEBHXHYFPS-UHFFFAOYSA-N 426.498 4.328 5 20 IIBD C[C@@H](c1ccccc1)N1CCC(Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC1 301317623 OOZLTRIHWDDNCR-KRWDZBQOSA-N 433.512 4.197 5 20 IIBD O=c1c(Cl)c(NC2CCN(C3CCCCC3)CC2)cnn1-c1ccc([N+](=O)[O-])cc1 301479618 RAJFJCFOJSELFI-UHFFFAOYSA-N 431.924 4.003 5 20 IIBD O=C([C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1CCC[C@H](c2ccccc2)CC1 303516978 PMBKDLZFJNHHIY-ZWKOTPCHSA-N 427.526 4.057 5 20 IIBD Cc1sc(CCNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)nc1-c1ccccc1 409660152 FSANASOSGUTBCK-UHFFFAOYSA-N 433.493 4.185 5 20 IIBD O=C(Nc1ccc(Cl)c(N2CCNC2=O)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 410198576 KJMAPMSHHWLWTQ-UHFFFAOYSA-N 428.754 4.049 5 20 IIBD COC[C@@H](C)n1ccc(NC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)n1 426328214 BJKUGVJXKLGCEB-OAHLLOKOSA-N 426.498 4.711 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 427285623 XTCAJYUGLWMLIS-FQEVSTJZSA-N 434.427 4.264 5 20 IIBD CC(C)(NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc([N+](=O)[O-])cc1 431422091 NYWYFFOOYNFSND-UHFFFAOYSA-N 445.522 4.122 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(Cl)s3)cn2)cc1[N+](=O)[O-] 433133745 ZQCUFELNZPJCKJ-UHFFFAOYSA-N 425.875 4.181 5 20 IIBD O=C(Cc1cccs1)Nc1ccccc1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 433694490 NULLIGZQKBWJPG-HXUWFJFHSA-N 436.493 4.055 5 20 IIBD Cc1nc(-c2ccc(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)cc2)n[nH]1 436252808 MNCXJLCOPALHQO-UHFFFAOYSA-N 431.402 4.305 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 436439527 NXUIJXOLUAGSKZ-ZUZCIYMTSA-N 428.659 4.166 5 20 IIBD CC(C)(C)Oc1cc(F)ccc1NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 437057771 VXTCMZJMQNRLEV-UHFFFAOYSA-N 429.448 4.041 5 20 IIBD CCCS(=O)(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 437145197 LWEJTJSSNHDKCZ-UHFFFAOYSA-N 431.392 4.018 5 20 IIBD CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c1 438937333 PMELJMSUNDMVJV-OAHLLOKOSA-N 433.530 4.188 5 20 IIBD Cc1nn(CCC(=O)N2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)c(C)c1[N+](=O)[O-] 439658668 OYBSCFKGPZANKU-HNNXBMFYSA-N 441.315 4.175 5 20 IIBD Cc1ccc(F)c(-c2cc(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])n[nH]2)c1 444817236 PTAIWWSAIOHDGZ-UHFFFAOYSA-N 438.337 4.626 5 20 IIBD Cc1c(Cl)cccc1NC(=O)Cc1noc(Cn2ccc3cc([N+](=O)[O-])ccc32)n1 445341376 IGJUDDDWLDPLHZ-UHFFFAOYSA-N 425.832 4.124 5 20 IIBD CN(Cc1ccccc1N1CCCC1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br 445768913 XNHUNWJLVWKRAE-UHFFFAOYSA-N 432.318 4.159 5 20 IIBD Cc1cc(C[C@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n(-c2ccccc2)n1 448189840 NTLKRZCGJKTHFT-HOCLYGCPSA-N 442.903 4.257 5 20 IIBD Cc1ccc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)c(Br)c1 461219112 PPQRBKMAFWHVMU-UHFFFAOYSA-N 436.287 4.039 5 20 IIBD Cc1cc(NCc2ccc(CS(=O)(=O)NC(C)C)cc2)c(C(F)(F)F)cc1[N+](=O)[O-] 461779289 UVOHCVYGVMABNQ-UHFFFAOYSA-N 445.463 4.362 5 20 IIBD COc1ccc(CNC(=O)C[C@H](C)c2ccc(F)c(Br)c2)cc1[N+](=O)[O-] 461928765 UYPKYTGLYOYCCV-NSHDSACASA-N 425.254 4.315 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1 462499109 HHECQCJXCJOMMQ-KRWDZBQOSA-N 435.484 4.015 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C(=O)NCc2ccc(C)cc2)CC1 462780229 QIBPJKHRQLOBLO-OAQYLSRUSA-N 437.540 4.027 5 20 IIBD O=C([C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1CCC(=Cc2ccccc2F)CC1 465090726 NOZVOYLNJWSAEX-SFHVURJKSA-N 443.500 4.106 5 20 IIBD O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465714148 DALXTIUZOMBQOJ-VXKWHMMOSA-N 443.475 4.207 5 20 IIBD O=C(NCc1ccccc1-c1ccc(Cl)cc1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 472643962 SZUWMRSTPMKOPT-UHFFFAOYSA-N 427.819 4.309 5 20 IIBD Cc1ccc([C@@H](NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c2ccccn2)cc1 473601652 VPCHEUZMFWPCLA-HSZRJFAPSA-N 428.448 4.131 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(O)(Cc3ccc(F)cc3)CC2)nc1OCc1ccccc1 475740892 DVRLLXAULRZFSR-UHFFFAOYSA-N 437.471 4.282 5 20 IIBD Cc1nc(-c2ccc(CCNC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)cc2)cs1 478345995 TWRGALCBXFCGLX-UHFFFAOYSA-N 433.493 4.185 5 20 IIBD CCOc1cc(Br)ccc1NC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 478710457 MKKCIIJGCCODNI-UHFFFAOYSA-N 425.235 4.026 5 20 IIBD CCOc1cc(C(=O)N2CCc3cc(Br)cc(F)c32)c([N+](=O)[O-])cc1OC 479153715 JJMFYRSKJNLRMH-UHFFFAOYSA-N 439.237 4.107 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 480464433 OITHVZMEQGTJPW-IAGOWNOFSA-N 443.569 4.246 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(C(=O)c2cccc(C)c2)CC1 481503195 FKEIQEZSIBRLCX-UHFFFAOYSA-N 427.526 4.004 5 20 IIBD COC(=O)c1cc(NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)cc(Cl)c1F 481578493 CVFCCAAWLFFDAB-UHFFFAOYSA-N 442.852 4.054 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(CCc1ccccc1)Cc1cccnc1 481963759 ZFTHHNNISVPWFU-UHFFFAOYSA-N 425.510 4.040 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCC[C@@H](c2ccc(F)cc2)CC1 484374571 QPDXPXBDYMLRDU-MRXNPFEDSA-N 441.459 4.218 5 20 IIBD O=C(Nc1ccnn1[C@@H]1CCCc2ccccc21)c1ccn(-c2ccccc2[N+](=O)[O-])n1 485845979 OKQVEQICTOWERX-LJQANCHMSA-N 428.452 4.155 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N[C@H](c2nccc(C)n2)C2CC2)c([N+](=O)[O-])c1 485988951 JAEOFQQCNVDSQQ-NRFANRHFSA-N 446.463 4.274 5 20 IIBD O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 486391697 AZJRWAKAAOKXFJ-OAQYLSRUSA-N 447.516 4.277 5 20 IIBD CCOc1cc2c(cc1NC(=O)c1ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c1)OCCO2 490656633 KXOZXZSBEBZYGD-HNNXBMFYSA-N 441.484 4.253 5 20 IIBD O=C(Nc1nc2ccc(I)cc2s1)c1ccc(F)cc1[N+](=O)[O-] 491075221 IPLIRQWPKRHDFM-UHFFFAOYSA-N 443.197 4.201 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 495170238 GBLKHAUOFGCPES-UHFFFAOYSA-N 445.229 4.201 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSCc1ccc(Oc2ccccc2)nn1 498395630 DWGGXKPJWIMQOQ-UHFFFAOYSA-N 438.465 4.409 5 20 IIBD CCN(CCC1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1)CC1CC1 498478219 UXEXRYXKFXIJAF-UHFFFAOYSA-N 436.984 4.334 5 20 IIBD CCCN(Cc1ccccc1Br)C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 499080975 PHWKJHKSSUHEON-UHFFFAOYSA-N 435.274 4.196 5 20 IIBD COCCN(C(=O)c1cc([N+](=O)[O-])ccc1OC)[C@H](C)c1cccc(C(F)(F)F)c1 500444001 RTEOJKQBDVSBPZ-CYBMUJFWSA-N 426.391 4.472 5 20 IIBD CC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 500690756 VDULGKSNZHCBHS-UHFFFAOYSA-N 447.557 4.363 5 20 IIBD CCOc1cc(N2CCOC[C@@H]2c2c(C)nn(Cc3ccccc3)c2C)ccc1[N+](=O)[O-] 500870122 RFBFMDMSHNCGLY-JOCHJYFZSA-N 436.512 4.433 5 20 IIBD CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 504661404 GMMIJUYQUYBZDU-UHFFFAOYSA-N 439.299 4.380 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCO[C@@H](c2ccccc2Cl)C1 505148331 HKJZRCGLCPLLDY-KZULUSFZSA-N 425.268 4.269 5 20 IIBD COc1cc(C(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)C(C)C)ccc1[N+](=O)[O-] 505235787 POOYXWNOEMJQCD-UHFFFAOYSA-N 439.390 4.112 5 20 IIBD CCCN(C(=O)CSc1ccccc1[N+](=O)[O-])C1CCN(C(=O)c2ccccc2)CC1 505327375 UHKKYBSYGCSUIW-UHFFFAOYSA-N 441.553 4.230 5 20 IIBD C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(=O)Nc1cccc(N2CCCC2)c1 505468896 MMVMJSNDDHUUDN-CQSZACIVSA-N 438.509 4.167 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)Nc2ccccc2O)CC1 505736691 RNEJBXUSSKGIFL-UHFFFAOYSA-N 443.525 4.293 5 20 IIBD C[C@@H](c1ccc(OC(F)(F)F)cc1)[S@@](=O)CCC(=O)Nc1ccccc1[N+](=O)[O-] 507712260 AKGWTCIORRHCTE-AOAWJKDVSA-N 430.404 4.332 5 20 IIBD CN(CCCc1cc(-c2ccccc2)n[nH]1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 510049457 KXDQMLVQWYVHRA-UHFFFAOYSA-N 430.512 4.450 5 20 IIBD COc1ccc([C@@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c2ccc(F)cc2)cc1 512169033 MYAITNXVWPCCSP-QHCPKHFHSA-N 446.438 4.448 5 20 IIBD COc1ccccc1SC[C@@H](C)CN[C@@H](c1cccc([N+](=O)[O-])c1)c1nccn1C 513656768 XHIHTXXFUPXFCF-KKSFZXQISA-N 426.542 4.444 5 20 IIBD Cc1nc(C(=O)N2CCCc3c2cccc3[N+](=O)[O-])nn1-c1c(Cl)cccc1Cl 513842120 BAUYGKQXZUMPAE-UHFFFAOYSA-N 432.267 4.384 5 20 IIBD CCOC(=O)CN(C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])[C@@H](C)c1ccccc1 513903387 FBFGHBTWBYRGKG-AWEZNQCLSA-N 432.498 4.092 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)NCc1cn(-c2ccccc2)nc1-c1ccccc1 516163288 LWFDYBLYYUIKCN-UHFFFAOYSA-N 441.491 4.489 5 20 IIBD Cc1nc(CSc2ccc(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)cc2)cs1 517593166 RLSPCPDVFCMXCA-UHFFFAOYSA-N 429.523 4.461 5 20 IIBD O=C(c1ccc(NCc2ccc(COc3ccccc3)cc2)c([N+](=O)[O-])c1)N1CCOCC1 519154938 DZJLHIBAXOOJGE-UHFFFAOYSA-N 447.491 4.258 5 20 IIBD CC(=O)NCc1ccc(-c2csc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])n2)s1 519764909 MLPROOZZUVUAPS-UHFFFAOYSA-N 444.538 4.332 5 20 IIBD COc1ccc(CC[C@@H]2CCCCN2S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC 523155042 BJDIVHYYKPUAPU-SFHVURJKSA-N 448.541 4.096 5 20 IIBD Cc1ccnc(-c2ccc(NC(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)cc2)n1 523709151 HWQVGIQKXWSMMH-UHFFFAOYSA-N 442.479 4.474 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCC[C@@H](c3nc(N(C)C)no3)C2)cc1[N+](=O)[O-] 527276156 GLJXVVAYEWPGSD-MRXNPFEDSA-N 447.561 4.202 5 20 IIBD O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(Oc2ccccc2Cl)nc1 531319343 KZCAIYJSFGRWOR-UHFFFAOYSA-N 436.815 4.473 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccnn1Cc1cccc(Br)c1 531505866 LCOHMXQQOZAPFY-UHFFFAOYSA-N 429.274 4.173 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 532959153 LUPAONHDRRBKNR-HNNXBMFYSA-N 425.464 4.016 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNc3ccc(-n4cnnn4)cc3)o2)c(Br)c1 533219150 YWBYFTSILNENLI-UHFFFAOYSA-N 441.245 4.205 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(Cc1c(C)noc1C)Cc1c(C)noc1C 533438290 ACXTWJWUNKUBGG-UHFFFAOYSA-N 441.488 4.144 5 20 IIBD Cc1ccc(-c2ncco2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1I 534016795 RUTPNOJEUWEALK-UHFFFAOYSA-N 449.204 4.415 5 20 IIBD CC(=O)c1cccc(OCc2cc(C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)no2)c1 538845582 MFFGKPJTXHDIHC-UHFFFAOYSA-N 435.436 4.169 5 20 IIBD CCS(=O)(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cc1C 539335509 MVZJZFOHJRKBEI-UHFFFAOYSA-N 437.543 4.418 5 20 IIBD COc1ccc(CN2CC[C@H](CN3CCCC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 539818538 VMJIUGVTYFVQJC-OAQYLSRUSA-N 425.529 4.100 5 20 IIBD CC[C@H](C)n1nc(NC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])cc1C 540540994 IXNBTFMNZDWFRK-LBPRGKRZSA-N 445.501 4.367 5 20 IIBD COc1ccc(NC(=O)NCCCOc2ncc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-] 541105463 ZWWLTHDHBZEONR-UHFFFAOYSA-N 448.785 4.261 5 20 IIBD Cc1nc(Cc2ccccc2)sc1[C@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 542666382 YZBSPNKVNLOMES-HNNXBMFYSA-N 445.566 4.075 5 20 IIBD Cc1cc(C(=O)NCC(=O)Nc2ccc(Br)cc2C(C)C)ccc1[N+](=O)[O-] 543941969 NEDYMMFMGLOMPL-UHFFFAOYSA-N 434.290 4.158 5 20 IIBD C[C@@H](C(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1ccc([N+](=O)[O-])cc1F 544444976 HLYZSKSKSVBSNC-OLZOCXBDSA-N 441.381 4.131 5 20 IIBD O=C(NCc1ccco1)c1cccc(-c2noc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)n2)c1 546270813 AMGZDDWTCBPCDN-UHFFFAOYSA-N 443.419 4.240 5 20 IIBD CN(C)CCOc1cccc(-c2noc(Cn3c4ccccc4c(=O)c4ccccc43)n2)c1 546397298 MFYVALYEPUKDGG-UHFFFAOYSA-N 440.503 4.193 5 20 IIBD O=C(NCc1nc(CNc2ccc([N+](=O)[O-])cc2OC(F)F)cs1)c1ccccc1 546882357 VWXDKZWGYWTEEM-UHFFFAOYSA-N 434.424 4.195 5 20 IIBD CSc1cccc(-c2nc(Cc3ccn(-c4c(F)cccc4F)n3)no2)c1[N+](=O)[O-] 554815806 AWFXSZXQDXLCKL-UHFFFAOYSA-N 429.408 4.421 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC1(c2ccccc2Cl)CCOCC1 558893739 UVCWXDKDRAKPND-UHFFFAOYSA-N 431.920 4.181 5 20 IIBD O=C1CSc2ccc(N[C@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)cc2N1CC(F)F 560267842 VJCDABLXVRDOGT-KBPBESRZSA-N 437.472 4.091 5 20 IIBD O=C(CCc1nnc(-c2cc3ccccc3o2)o1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 566998630 QELCUCLXQFVGHY-UHFFFAOYSA-N 445.435 4.164 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccccc2O[C@H](C)C(F)(F)F)cc([N+](=O)[O-])c1 576071692 COQZEYTXLXNHGH-LLVKDONJSA-N 426.347 4.353 5 20 IIBD CC[C@](C)(NC(=O)c1ccccc1)c1noc(-c2cc(Br)cc([N+](=O)[O-])c2)n1 589156558 VNRYUWJVYKZQBD-IBGZPJMESA-N 445.273 4.463 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(CNc2ccc(C(=O)N3CCc4ccccc43)cc2)c1 589518053 SFAXEIAWDJDMKY-UHFFFAOYSA-N 431.448 4.196 5 20 IIBD O=C(Nc1nc2c(s1)CCN(Cc1ccccc1)C2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 603672674 TVNZARUFLWNUSU-UHFFFAOYSA-N 449.536 4.436 5 20 IIBD COc1cc(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)ccc1OCCC(C)C 604469414 SPFGUYBZCSLRST-UHFFFAOYSA-N 438.484 4.144 5 20 IIBD O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 608875989 YUFBXKUSKZNYSB-UHFFFAOYSA-N 433.346 4.490 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1COCc1ccccc1 608877722 SMIGFEIAZDEGEW-KRWDZBQOSA-N 433.464 4.069 5 20 IIBD Cc1ccc(N[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cc1C(N)=O 608980435 BKXMWWOYPILFMM-FQEVSTJZSA-N 438.871 4.447 5 20 IIBD COC(=O)c1sc2ccccc2c1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 609119435 CLDFDVPYYSPBJT-NSHDSACASA-N 448.884 4.333 5 20 IIBD O=C(NCC(=O)N1CCc2ccccc2C1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609772940 KGEHULNEWXGIAX-UHFFFAOYSA-N 446.463 4.094 5 20 IIBD Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])o1 609978515 OAOQVEHOJSELCB-KZULUSFZSA-N 442.859 4.033 5 20 IIBD COc1ccccc1[C@H]1CCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 609982467 RBSRFJOZOXTWPJ-AWEZNQCLSA-N 437.418 4.440 5 20 IIBD COc1ccc(CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1Br 610100969 LGSAYMJBRGCKDN-UHFFFAOYSA-N 436.306 4.188 5 20 IIBD O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1cccc(CSC2CCCC2)c1 610127417 SMFAPTDOQXGLNH-UHFFFAOYSA-N 439.493 4.005 5 20 IIBD COc1ccc(NC(=O)CCSc2nnc(-c3ccc(Cl)s3)o2)c([N+](=O)[O-])c1 610167533 HRZJPGSZODUIRZ-UHFFFAOYSA-N 440.890 4.489 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@H]1c1nc(C(C)(C)C)cs1 610301572 MNIZDOCKHSNWTQ-PBHICJAKSA-N 444.557 4.221 5 20 IIBD Cc1cncc(C)c1C(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 610753910 CVTIWKSGPSJFEA-UHFFFAOYSA-N 436.537 4.293 5 20 IIBD COc1ccc(C(=O)NCC(=O)Nc2cccc(Sc3ccccc3)c2)cc1[N+](=O)[O-] 611835613 ZJUBWKYSHPOZOE-UHFFFAOYSA-N 437.477 4.123 5 20 IIBD COc1c(F)cc(S(=O)(=O)Nc2ccc(C(F)(F)C(F)(F)F)cc2)cc1[N+](=O)[O-] 614481337 BPNBQBWNSPFCLJ-UHFFFAOYSA-N 444.309 4.197 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CCC(C3CCCCC3)CC2)ccc1[N+](=O)[O-] 726502718 DNQRBFDREYNXJT-QFIPXVFZSA-N 427.545 4.327 5 20 IIBD Cc1ccc(NC(=O)c2cccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3C)c2)cc1 727459771 AMWXFAMOVFHFLQ-UHFFFAOYSA-N 426.450 4.232 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F 727710045 FZEULJZYENHKLW-OAHLLOKOSA-N 439.802 4.093 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cn2c(=S)oc3ccc(Cl)cc32)CC1 728196697 SFUXWJKLNFVRFA-UHFFFAOYSA-N 438.918 4.002 5 20 IIBD O=C(COC(=O)CCc1cc(Br)cs1)Nc1ccc([N+](=O)[O-])cc1Cl 730647987 PNOGJRNJTXYBRK-UHFFFAOYSA-N 447.694 4.187 5 20 IIBD O=C(Nc1ccccc1CS(=O)(=O)c1ccccc1)c1cc(Cl)ccc1[N+](=O)[O-] 730983551 CFTDVHHFULBYNA-UHFFFAOYSA-N 430.869 4.474 5 20 IIBD C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NCc1cc([N+](=O)[O-])cc2c1OCOC2 731847851 ZLLPHAOBTYWWHM-IVZQSRNASA-N 435.521 4.025 5 20 IIBD O=C(Nc1cccc(C2SCCS2)c1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 731963230 FYGXBUTTWYGDFY-CQSZACIVSA-N 449.579 4.378 5 20 IIBD Cc1nn(CN2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)c(C)c1[N+](=O)[O-] 732186121 XVKJJNYNLCPESG-UHFFFAOYSA-N 438.463 4.207 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)O[C@@H]1CCCN(C(=O)c2ccccc2Cl)C1 732609574 DYLYFVSOUGGBIK-QGZVFWFLSA-N 441.871 4.051 5 20 IIBD O=C(N[C@@H](Cc1ccccc1)c1cccs1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 735016135 MHEYADHSUJNVHO-FQEVSTJZSA-N 437.521 4.207 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1nn(-c2ccc(F)cc2)ccc1=O 735252061 ZBCSYOWLWMNMRR-UHFFFAOYSA-N 446.394 4.324 5 20 IIBD COc1ccc([C@H]2[C@H](COC(=O)c3ccc(SC)c([N+](=O)[O-])c3)CCC(=O)N2C)cc1 735776811 MIQUHTNOTVEQRQ-KKSFZXQISA-N 444.509 4.092 5 20 IIBD COc1ccc([C@@H]2[C@H](COC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)CCN2C)cc1 735904480 OWDVKHFNVSANFY-LDBYXDLTSA-N 430.526 4.320 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2cccc(Oc3nccs3)c2)cccc1[N+](=O)[O-] 736918136 LDYILDBUGYEJTD-CYBMUJFWSA-N 427.438 4.336 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 743267306 PCBOXWOZBHGRGE-CQSZACIVSA-N 435.502 4.290 5 20 IIBD Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)OCc2cc(F)ccc2[N+](=O)[O-])cc1 743467354 COUREGJIIQRPGW-UHFFFAOYSA-N 444.440 4.200 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)ccc1[N+](=O)[O-] 744202685 BHVLEPJMOYSGGL-UHFFFAOYSA-N 449.847 4.381 5 20 IIBD CO[C@]1(C)C[C@@H](NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1(C)C 744722524 AGZCFJSBZZMWPJ-XMSQKQJNSA-N 445.903 4.434 5 20 IIBD COc1cccc(N(CC(C)C)S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c1 745834056 JXSAFJYFYALSFX-UHFFFAOYSA-N 443.319 4.217 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 748107673 YLYOYQQEGKNHAF-UHFFFAOYSA-N 441.246 4.031 5 20 IIBD O=c1c2ccccc2nc(SC[C@@H](O)c2cccc([N+](=O)[O-])c2)n1-c1ccc(F)cc1 749641918 UYUMIRMUPHMHMY-HXUWFJFHSA-N 437.452 4.259 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCCc2cccc(Br)c21 751279317 LHUKLXLXOOMFBF-UHFFFAOYSA-N 431.695 4.152 5 20 IIBD C[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H](O)c1c(F)cccc1Cl 752646293 XMGXMEANQWDKDO-GLEZIHRCSA-N 433.770 4.232 5 20 IIBD CC(C)(C)OC(=O)NCCOc1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1 752825915 DVRLQDVVOFKRPY-UHFFFAOYSA-N 440.456 4.232 5 20 IIBD CCCNC(=O)c1ccc(Cl)cc1NC(=O)c1cccc([N+](=O)[O-])c1Br 753800097 MIDHGZFCKOZLGI-UHFFFAOYSA-N 440.681 4.403 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](C)c1cccc(OC(F)(F)F)c1 754020525 YVBYLSNVWMNEIN-NWDGAFQWSA-N 427.379 4.180 5 20 IIBD COC(=O)c1ccc([C@@H](OC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C(F)(F)F)cc1 754365089 JPMAZQQHFILGSE-QLJPJBMISA-N 429.322 4.471 5 20 IIBD CCCC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 755060829 IJSOTADILZIKHB-UONOGXRCSA-N 430.432 4.391 5 20 IIBD C[C@H]1C[C@H](OC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 756045781 NBYHQUYKLXTVIP-FAQVEIGNSA-N 435.480 4.489 5 20 IIBD CSc1nc(C)c(CCC(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c(C)n1 760472228 CVVLBMMJROKYGD-UHFFFAOYSA-N 428.470 4.055 5 20 IIBD O=C1CCCN1CC[C@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c2ccccc21 760861961 ZYYIUOMJDBBDQP-SFHVURJKSA-N 432.480 4.366 5 20 IIBD O=C(Nc1cc(F)c(F)cc1I)c1cc(F)c([N+](=O)[O-])cc1F 763492250 QPKCMIVMCNFALT-UHFFFAOYSA-N 440.090 4.008 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Oc2ccc(NC(=O)c3ccsc3)cc2)c1C 765188353 ZBAYJYGCPGGLNC-UHFFFAOYSA-N 432.479 4.293 5 20 IIBD COc1ccc([C@@H](OC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)C2CC2)c(C)c1 766609978 SMTYVNHZVWNKJR-QHCPKHFHSA-N 449.463 4.074 5 20 IIBD Cc1sc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 767456029 ACHJEONWIHPJBJ-UHFFFAOYSA-N 439.515 4.063 5 20 IIBD COC(=O)CCN(Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C1CCOCC1 769506801 WTBJNIOZPPZWBG-UHFFFAOYSA-N 432.448 4.070 5 20 IIBD O=C(O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1cncc(-c2ccc3c(c2)CCO3)c1 770624089 VVWGRJCQFNRFQE-CTNGQTDRSA-N 434.452 4.129 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCc1cn(-c2ccccc2)nn1 772177537 SVCVIXBTQKMWTN-UHFFFAOYSA-N 438.387 4.030 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(NC[C@@H](CO)Cc3ccccc3C(F)(F)F)CC2)cc1 773078506 HDIZCFQHMNLTHJ-INIZCTEOSA-N 437.462 4.023 5 20 IIBD COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 774220898 WOOWDXNRFUARHF-HXUWFJFHSA-N 441.484 4.067 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)OCc1nc(-c2ccccc2Cl)cs1 774966356 QIHDNBOCTRKXMD-UHFFFAOYSA-N 428.857 4.465 5 20 IIBD O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc([N+](=O)[O-])ccc1OC(F)F 779212720 ZHSFUPKSDAVVQU-UHFFFAOYSA-N 435.295 4.116 5 20 IIBD CCOC(=O)c1ccnc(N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)c1[N+](=O)[O-] 784643532 PXRNFSZHHJBEIP-UHFFFAOYSA-N 447.491 4.322 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N(C)[C@@H](c2ccccc2)C(C)C)cc1[N+](=O)[O-] 784704935 JMAKIUDSOQODPT-GOSISDBHSA-N 448.317 4.460 5 20 IIBD COc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)Cc1ccc([N+](=O)[O-])cc1Cl 785950052 RIAZAJXGLODWSV-SNVBAGLBSA-N 427.240 4.023 5 20 IIBD O=C([C@@H]1C[C@H]1c1c(F)cccc1F)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791174483 LXQLCBSGOFNCSD-VXGBXAGGSA-N 437.240 4.324 5 20 IIBD COc1ccc(CN(CCc2ccccn2)C(=O)c2cc(F)c([N+](=O)[O-])cc2F)cc1 794263795 QOKVRTXGAABXIP-UHFFFAOYSA-N 427.407 4.162 5 20 IIBD CCC(=O)c1ccc(Oc2ccc(I)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 795141476 XAEKPDXRPHKDOQ-UHFFFAOYSA-N 442.165 4.493 5 20 IIBD C[C@H](Cc1noc(-c2cc([N+](=O)[O-])ccc2N2CCCC2)n1)N(C)C(=O)OC(C)(C)C 795754315 FCFIIGIQWXAMIA-CQSZACIVSA-N 431.493 4.043 5 20 IIBD Cc1nn(-c2ccccc2)c(Cl)c1C[S@@](=O)CCC(=O)Nc1ccccc1[N+](=O)[O-] 800721679 CPODSPUMSXCFLS-PMERELPUSA-N 446.916 4.020 5 20 IIBD CC(C)(C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)N1CCCC1 805616851 LZIRNZOTURIWOW-LJQANCHMSA-N 445.903 4.346 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)NC1CCC2(CCCCC2)CC1 810403144 SEJXPWZTOJEFQC-UHFFFAOYSA-N 438.322 4.305 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCC(=O)c2ccc(C(F)(F)F)cc2)cc1SC 812583651 UEMKVZJLBRYHKP-UHFFFAOYSA-N 429.372 4.384 5 20 IIBD O=C(Cc1cccc2ccccc12)NCC(=O)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F 815174563 WZSBPNRBFGVJTN-UHFFFAOYSA-N 446.381 4.169 5 20 IIBD Cc1cc(NC(=O)CSc2nc3ccccc3s2)n(-c2ccc([N+](=O)[O-])cc2)n1 844131630 TWXPDRAGMHVRPH-UHFFFAOYSA-N 425.495 4.429 5 20 IIBD Cc1ccc(NC(=O)c2nnc(COC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)s2)cc1 844263989 KULGIOMZMBDPFW-UHFFFAOYSA-N 432.845 4.017 5 20 IIBD CC(=O)Nc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)cc1 859480106 TYXULIDYAGSJAI-UHFFFAOYSA-N 441.425 4.146 5 20 IIBD Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3F)cc2)cc1 917611533 JAJKKEHDHJHOCP-UHFFFAOYSA-N 428.441 4.269 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)NC(=O)OC(C)(C)C 917729924 XGUPTFPPAWKQLQ-QGZVFWFLSA-N 449.891 4.253 5 20 IIBD O=C(Oc1cc(Cl)ccc1[N+](=O)[O-])C1CCN(c2ccc(C(F)(F)F)cn2)CC1 921141322 VRLPRLCHSXCSNM-UHFFFAOYSA-N 429.782 4.484 5 20 IIBD O=[N+]([O-])c1ccc(OCc2nnc(-c3nc(-c4ccccc4)n(-c4ccccc4)n3)o2)cc1 1323836072 DOSNPXHJOGBCSF-UHFFFAOYSA-N 440.419 4.472 5 20 IIBD Cc1ccc(OCc2nnc([C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)o2)cc1C 1341296770 UGSUPAGJIYQVQD-HNNXBMFYSA-N 428.470 4.212 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C3(NC(=O)C4CCC4)CCC3)cc2)c1 1790054212 ASHHESFZOBYYNX-UHFFFAOYSA-N 436.512 4.209 5 20 IIBD C/C=C(/C)C(=O)Nc1ccc(C2(NC(=O)c3cc([N+](=O)[O-])cc4c3OCC4)CCC2)cc1 1791225589 DDCAKQNPHJUDNL-CQPUUCJISA-N 435.480 4.244 5 20 IIBD Cc1cc(Cl)ccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(F)c1[N+](=O)[O-])C2 1792738154 GGNFAXOCDSEELI-MUJYYYPQSA-N 445.878 4.261 5 20 IIBD Cc1ccccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2cccc([N+](=O)[O-])c2)CCC1 1800040279 CXSULUXFJMAUQH-WKCHPHFGSA-N 447.535 4.277 5 20 IIBD CC(C)Cc1ccc(C(=O)N2CCCC23CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C3)cc1 1845465296 UIVBARWRVYELGJ-UHFFFAOYSA-N 439.487 4.063 5 20 IIBD Cc1c(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccccc3[N+](=O)[O-])C2)oc2ccccc12 1847057638 RBLGJUUBJPJKJC-VAWYXSNFSA-N 445.475 4.180 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)c1 16822985 CVYNKFZIYMHKFN-CYBMUJFWSA-N 439.390 4.213 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccnn1Cc1ccc(Br)cc1 18090030 XLHWDTIQILSJMP-BJMVGYQFSA-N 427.258 4.254 5 20 IIBD CC(=O)c1c[nH]c(C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)c1 18601407 FBNFHIKNUICFET-IBGZPJMESA-N 441.827 4.316 5 20 IIBD COc1ccc([C@@H](C)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])cc1F 26761158 DZPACKSXTISRSA-CQSZACIVSA-N 437.493 4.090 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc(C)n(CC(F)(F)F)c2C)cccc1[N+](=O)[O-] 28175248 XCENKZVJQGZWSP-CYBMUJFWSA-N 427.379 4.068 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)[C@H]3CCC[C@H](C)C3)cc2)cc1[N+](=O)[O-] 29997989 DNDUJLXGKSBJFY-KXBFYZLASA-N 445.541 4.355 5 20 IIBD Cc1c(C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)nnn1-c1cccc([N+](=O)[O-])c1 30391398 SLTPHOJSCRBCJL-UHFFFAOYSA-N 447.426 4.454 5 20 IIBD Cc1ccc(Cc2cnc(NC(=O)CCn3nc(C)c([N+](=O)[O-])c3C)s2)cc1Cl 60364114 RTCHIGDGANXGRY-UHFFFAOYSA-N 433.921 4.446 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1OCC(=O)Nc1ccccc1F 68846210 DLFUZWOQLOEJFU-UHFFFAOYSA-N 439.399 4.012 5 20 IIBD COc1ccc(CSCC(=O)Nc2cc(NC(=O)C3CC3)ccc2C)cc1[N+](=O)[O-] 107572007 AKJQLGVXVRKNQT-UHFFFAOYSA-N 429.498 4.132 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)Cn1ccc2ccc(Cl)cc21)c1ccccc1[N+](=O)[O-] 108785984 CAVPNBBRVATPPQ-SFHVURJKSA-N 443.887 4.402 5 20 IIBD CC(C)(C)c1nc(CN2CCCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)no1 301546960 DYWSAPQZVZYKHE-UHFFFAOYSA-N 427.427 4.006 5 20 IIBD CN(Cc1ccc(Br)cc1Cl)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 302703184 IQOYDBUTOVXCHS-UHFFFAOYSA-N 433.711 4.051 5 20 IIBD O=C(Nc1nc2c(s1)CCCCCC2)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303507196 SHLHDNDSJFDKLX-CYBMUJFWSA-N 434.543 4.015 5 20 IIBD O=C(O)[C@H](Cc1ccccc1[N+](=O)[O-])NCc1ccc(Oc2cc(F)cc(F)c2)cc1 426806294 BBKKJEQMGRVTQZ-FQEVSTJZSA-N 428.391 4.451 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCN1Cc1ccccc1 430656308 FFWMNICTWKDIMV-IRLDBZIGSA-N 439.559 4.324 5 20 IIBD O=C1N[C@@H](CC2CC2)C(=O)N1Cc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 431244305 ARTBCIDDBFFEFS-INIZCTEOSA-N 433.823 4.400 5 20 IIBD CCN([C@@H](c1cccnc1)c1ccc(F)cc1F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 431908171 YQZFJHFGDLLMHX-FQEVSTJZSA-N 433.436 4.068 5 20 IIBD CCc1ccc([C@@H](c2cccnc2)N(CC)S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 431909897 SDICQOKNXPWPSK-QFIPXVFZSA-N 443.500 4.492 5 20 IIBD C[C@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(OCc2ccccc2)c1 434763796 LKBMLRAHQFNYQC-KRWDZBQOSA-N 426.494 4.354 5 20 IIBD CCc1ccc([C@@H](CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)N(C)C)cc1 435835549 NGDRGQNODSCSMM-JOCHJYFZSA-N 431.511 4.416 5 20 IIBD CC[C@@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCc2ccccc2C1 436096991 AZLQHLVFLOBJQU-IBGZPJMESA-N 443.522 4.387 5 20 IIBD O=C(NCc1cnn(Cc2ccccc2)c1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436109199 YGCUXLUCOAENHD-UHFFFAOYSA-N 444.441 4.134 5 20 IIBD CC(C)c1nc([C@H]2CCCN(C(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)C2)no1 436370073 XAMNQXCSCFXLJF-AWEZNQCLSA-N 434.471 4.347 5 20 IIBD O=C(c1ccc2noc(-c3ccc(F)cc3)c2c1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 437652134 QUUJGNPKMGMGBY-QGZVFWFLSA-N 447.426 4.264 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(COCCc2ccccc2)c1 438724583 MTKCMGABSAVRNK-UHFFFAOYSA-N 433.464 4.240 5 20 IIBD Cc1ccc(Sc2ccc(-c3nc(C4(S(C)(=O)=O)CC4)no3)cc2[N+](=O)[O-])cc1 438832447 UUHGCTSMAILHBE-UHFFFAOYSA-N 431.495 4.138 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1(c2noc([C@H]3CCOC3)n2)CCCCCC1 439298391 AMKHZPRWERVHSU-HNNXBMFYSA-N 429.477 4.161 5 20 IIBD COc1cc(C(=O)Nc2nc(Sc3ccc(C)cc3)ns2)cc([N+](=O)[O-])c1OC 440320137 XCTOCCWLGVPIRS-UHFFFAOYSA-N 432.483 4.175 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1)N(C[C@@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F 440421536 JSLANKZEEWYVTC-MRXNPFEDSA-N 439.409 4.261 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](c1cccc(Cl)c1)c1ccccn1 441019918 YQKMRMKKRADZIS-JOCHJYFZSA-N 440.887 4.360 5 20 IIBD O=C(Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1ccc([N+](=O)[O-])cc1Br 442936394 YKDILGJRMHHQNI-QZTJIDSGSA-N 435.274 4.292 5 20 IIBD Cc1ccc(OCc2ccccc2)c(NC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 443188078 FHIOJOLUBKBIKV-UHFFFAOYSA-N 433.464 4.159 5 20 IIBD C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 443934031 BQAPSFGKCNSDBS-INIZCTEOSA-N 431.448 4.389 5 20 IIBD Cc1nc(-c2ccc(CCNC(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)s2)cs1 444884259 WKQQIQHDPQQSNY-UHFFFAOYSA-N 442.526 4.006 5 20 IIBD CC(C)(CNC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccccc1Br 445227710 XHBPWTAWCCQFET-UHFFFAOYSA-N 446.305 4.011 5 20 IIBD CC(C)CNC(=O)Cc1noc(-c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)n1 445408761 LTPKNHCJBDGEMX-UHFFFAOYSA-N 443.891 4.225 5 20 IIBD Cc1cc(C)c(-c2csc(NC(=O)Cc3noc(-c4ccc([N+](=O)[O-])[nH]4)n3)n2)cc1C 445422229 DVGPMROBJCKPNF-UHFFFAOYSA-N 438.469 4.203 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCCc1ccccc1C(F)(F)F 445911107 ZFHVFHPLXDPLLR-UHFFFAOYSA-N 431.208 4.278 5 20 IIBD Cc1cc(Br)c(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1Cl 445958536 XBTDQUOWSJZUML-UHFFFAOYSA-N 436.653 4.152 5 20 IIBD COc1ccc(CNC(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cc1[N+](=O)[O-] 446352105 QHLAERVAVZTUKB-HNNXBMFYSA-N 435.761 4.499 5 20 IIBD Cc1cc2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Br)ncnc2s1 447332231 GBXLQZIHERAECY-UHFFFAOYSA-N 439.316 4.401 5 20 IIBD O=C1C[C@H](CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CN1Cc1ccccc1 447697270 XADCQBDTQXXXQA-CYBMUJFWSA-N 444.360 4.105 5 20 IIBD O=C(c1ccc(F)cc1)C1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 447713591 IQWFOSHHZGGCJA-UHFFFAOYSA-N 439.487 4.072 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCCc4ccccc4C3)n2C[C@@H]2CCCCO2)c1 461871116 PIEPFEFQSDVPGJ-QFIPXVFZSA-N 433.512 4.375 5 20 IIBD C[C@H](OCCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccccc1 462481036 VBRPEUOWXGRKPE-LBPRGKRZSA-N 433.313 4.348 5 20 IIBD COc1cc(C(=O)N[C@H](C)c2nc(C3CCCCC3)no2)c([N+](=O)[O-])cc1OC(F)F 464705633 OVSUUEOCNYFNAW-SNVBAGLBSA-N 440.403 4.127 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc2ccn(CCN(C)C)c2c1 465141671 YUGLSIFKTVRRMS-CQSZACIVSA-N 430.892 4.171 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 468740071 OQJBVMKKUHEVKT-UHFFFAOYSA-N 432.274 4.154 5 20 IIBD COc1cc(C(=O)N(C)Cc2ccnn2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 471555653 NACYQZZCIAYCAW-UHFFFAOYSA-N 430.848 4.055 5 20 IIBD Cc1cc(-c2noc([C@H](C)NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)n2)ccc1F 472373530 NEBNJFHSCAWJOL-LBPRGKRZSA-N 425.420 4.158 5 20 IIBD Cc1cc(Br)c(F)cc1NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 474172444 TWXZQCULFPYDGW-UHFFFAOYSA-N 434.221 4.371 5 20 IIBD COc1ccc(CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C(C)(C)C)c(OC)c1 474176212 YACJTVXCHRNKSD-UHFFFAOYSA-N 426.473 4.463 5 20 IIBD CCOC1CC(CCNC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 475869121 ZBVHSZYJFSKCNV-UHFFFAOYSA-N 442.537 4.483 5 20 IIBD O=c1c(Br)cn(CCOC(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 477401065 FYPCDOMTIQXBQU-UHFFFAOYSA-N 429.270 4.325 5 20 IIBD CN(C)Cc1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 477603465 RPOZVPLFXDFNMI-UHFFFAOYSA-N 425.510 4.052 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1cc(I)ccc1Cl 477791416 QONSQXYQMJKROC-UHFFFAOYSA-N 434.592 4.173 5 20 IIBD CCCCn1ccnc1-c1cccc(NC(=O)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 479087528 AIUZVKHUGPTXMY-MRXNPFEDSA-N 435.484 4.074 5 20 IIBD Cn1nc([N+](=O)[O-])cc1C(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 481500471 OVBVHLATZDAAJA-UHFFFAOYSA-N 445.313 4.031 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3)c3ncccc23)c(F)c1 481857949 SMRCAZQOCXKWBW-UHFFFAOYSA-N 430.461 4.073 5 20 IIBD O=C(N[C@@H](C(=O)Nc1ccccc1)c1ccccc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 482053142 MAZHHZHCJOHOCL-JOCHJYFZSA-N 430.464 4.279 5 20 IIBD CCc1nnc(-c2ccc(NC(=O)c3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])cc2)o1 482475586 IMQMGGADVTUGRC-UHFFFAOYSA-N 434.355 4.070 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@@H](c2ccccc2F)C1 484873911 VQMZXUMEMVVORM-HUUCEWRRSA-N 446.500 4.455 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccc(-c2nc(CC)no2)cc1 484987207 ZHMNTMFYOUOYLR-UHFFFAOYSA-N 426.498 4.292 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)N[C@H](c1ccccc1)c1ccc(Cl)cc1 487887393 OHRKWFNJHGJTDA-HSZRJFAPSA-N 447.878 4.469 5 20 IIBD CC(C)(C)NC(=O)c1cccc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 488388940 KZSPTGUEOLJBEU-UHFFFAOYSA-N 438.406 4.464 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCn2c(nnc2-c2ccccc2)C1 489935868 QNCXXKJPDXQKEH-UHFFFAOYSA-N 437.525 4.257 5 20 IIBD O=C(CCC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCSc2ccccc21 493150882 JAGKZCYFBXYCNA-UHFFFAOYSA-N 425.510 4.005 5 20 IIBD Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OCCC(C)C 493979041 WEBVMLZHROYRQG-KRWDZBQOSA-N 427.501 4.452 5 20 IIBD CN1CCO[C@H]([C@@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c2ccc(Cl)cc2)C1 494531973 YCRZAPJXHXCIIR-OALUTQOASA-N 443.853 4.429 5 20 IIBD CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N[C@H](C)c1cccc2ccccc12 497384694 HNLOTENNFRKBMK-RDTXWAMCSA-N 441.509 4.070 5 20 IIBD CCOc1ccc(S(=O)(=O)N(C)c2ccc(Oc3ccc([N+](=O)[O-])nc3)cc2)cc1 497759662 LBAWXHBMCLWLBW-UHFFFAOYSA-N 429.454 4.006 5 20 IIBD COc1ccc(CCNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c(Cl)c1OC 500478020 DTMULDCZTDBRSO-LLVKDONJSA-N 443.283 4.045 5 20 IIBD CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCOc2ccc(Br)cc21 501938639 NLVLEBIRKXFZKK-MRXNPFEDSA-N 434.290 4.142 5 20 IIBD Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cccc1N1C(=O)CCNC1=O 504213485 UAHXPPCERJOQST-UHFFFAOYSA-N 442.497 4.102 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCC[C@@H]2C(=O)Nc3ccccc32)cc1[N+](=O)[O-])c1ccccn1 505997311 UIYAHTJZTYDNLZ-YJBOKZPZSA-N 445.479 4.019 5 20 IIBD COc1ccc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1Br 506980689 FEDPYGZENWSQPM-UHFFFAOYSA-N 448.298 4.419 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCC2(C)CCN(C)CC2)cc1[N+](=O)[O-] 507856488 VYSZIBRCRKQAKL-UHFFFAOYSA-N 441.553 4.009 5 20 IIBD CCn1c(SCc2nc3cc(F)ccc3n(C)c2=O)nc2cc3ccccc3cc2c1=O 508722529 XRTBVQYJVDRIKT-UHFFFAOYSA-N 446.507 4.248 5 20 IIBD CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1 509662876 HCCFXZVYVVMCFW-LBPRGKRZSA-N 448.317 4.124 5 20 IIBD Cc1c(Br)cc(C(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)cc1[N+](=O)[O-] 509874040 QMBAGSFPJYVPHB-KRWDZBQOSA-N 447.264 4.058 5 20 IIBD COc1cccc([C@@H](C)NC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])c1 509927699 JFQJTAPTEOSVMA-CYBMUJFWSA-N 443.481 4.139 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCC[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1OC 510097080 FUKGSWLIXPWKAQ-MJGOQNOKSA-N 441.528 4.033 5 20 IIBD COCC[C@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C(C)(C)C 512980947 ZLNOKROXKLRULH-SFHVURJKSA-N 445.482 4.397 5 20 IIBD Cc1nc([C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c2ccccc2F)no1 513225460 ATIFYCIBNZPGFU-QGZVFWFLSA-N 439.428 4.068 5 20 IIBD Cn1ccnc1[C@@H](NCCc1ccc(F)c(Br)c1)c1ccc([N+](=O)[O-])cc1 513653440 DYIJRENYPZQDMN-SFHVURJKSA-N 433.281 4.152 5 20 IIBD CN(C)C(=O)c1ccc(Cl)c(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 515172611 SEPZMRKUSBURAS-UHFFFAOYSA-N 445.781 4.143 5 20 IIBD C[C@@H]1CN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC(C)(C)O1 519951584 OMMLDZUOFNHIQK-QGZVFWFLSA-N 434.496 4.016 5 20 IIBD O=C([C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1CC2(CCCC2)c2c(F)cccc21 521096741 XHXQAVMTVIXDQT-INIZCTEOSA-N 443.500 4.259 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(Cl)c(C(=O)NC2CC2)c1 522640715 URAFAJKNQWPFMP-UHFFFAOYSA-N 438.267 4.201 5 20 IIBD CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 531204580 YLNFAEJXBAPONP-IAGOWNOFSA-N 426.517 4.063 5 20 IIBD CN(c1ccccc1)c1ccc(CNC2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1[N+](=O)[O-] 532016289 ZZGGRHKPUORLGW-ILBGXUMGSA-N 438.572 4.220 5 20 IIBD COCCOc1ccc(CNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cn1 532264181 VNGABLNLWWMQHE-UHFFFAOYSA-N 439.493 4.096 5 20 IIBD CN(c1ccccc1)c1ccc(CNc2ccc(CNS(C)(=O)=O)cc2)cc1[N+](=O)[O-] 532898483 ZODSQKDNUOQJGY-UHFFFAOYSA-N 440.525 4.024 5 20 IIBD O=C(NCCNC(=O)c1ccccc1F)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 533207531 ARDJGZWDEOHWQB-UHFFFAOYSA-N 438.415 4.078 5 20 IIBD O=C(CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1ccccc1Oc1ccccc1 533516349 MTRQKBTYIMQEHX-SFHVURJKSA-N 447.495 4.297 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1Br 534214040 AQLKWQLBKVNCMI-UHFFFAOYSA-N 439.287 4.265 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCN(c2nc3ccccc3s2)CC1 535438904 XWPDIFFYXKISEY-UHFFFAOYSA-N 436.415 4.186 5 20 IIBD CCCS(=O)(=O)Nc1cccc(NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1C 536302611 PKNAUYSSVSZLLJ-UHFFFAOYSA-N 430.486 4.322 5 20 IIBD O=C([C@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c2ccccc2O1)N1CCCCC1 536321986 ZHUSKUZLXANZAE-JOCHJYFZSA-N 448.479 4.030 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)c1 538414979 VNGMBQHGBVCCGE-KRWDZBQOSA-N 439.512 4.491 5 20 IIBD CC1(C)CC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c2ccccc21 539895460 VZFCECNFHXHKEK-YJBOKZPZSA-N 441.553 4.232 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccccc1CS(=O)(=O)N1CCC(C)CC1 540151147 MSHQIYVESNDCLS-IBGZPJMESA-N 445.585 4.316 5 20 IIBD CCOc1cc(CN(C)C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)ccc1OC(F)F 541614523 SEOKGYHWOPNLNW-LBPRGKRZSA-N 426.391 4.496 5 20 IIBD COc1cc(C(=O)NCc2nnc(C)s2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 541873060 CBFUGCORVTWODC-UHFFFAOYSA-N 434.861 4.139 5 20 IIBD COCC[C@H](N[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccco1 542529384 AUHUCVSHEXQMLN-CJNGLKHVSA-N 430.486 4.006 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CN3CCO[C@@H](c4ccc(C(F)(F)F)cc4)C3)n2)cc1 542947717 HNSSCGRBTSDZHT-QGZVFWFLSA-N 434.374 4.237 5 20 IIBD C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 544093880 NLVUALXKDFAUPK-MAUKXSAKSA-N 433.961 4.367 5 20 IIBD COc1ccc(CN(C2CCCCC2)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1OC 544725777 LHEGPRICCHIRBP-UHFFFAOYSA-N 448.541 4.277 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc([C@H]3CCOc4ccccc43)no2)c(I)c1 544780427 OTJFPOSUKKOPDF-LBPRGKRZSA-N 449.204 4.164 5 20 IIBD COc1cc(C)ccc1OCc1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 545744127 AFOGSPGLJLYXHC-UHFFFAOYSA-N 434.246 4.227 5 20 IIBD O=C(Nc1cccc(-c2noc(Cn3ccc4cc([N+](=O)[O-])ccc43)n2)c1)c1ccco1 547025544 DEJDBLGYFDMKMH-UHFFFAOYSA-N 429.392 4.493 5 20 IIBD CNC(=O)c1cnc(/C=C/c2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)s1 549684368 UBTUKGJHRLDVCS-UXBLZVDNSA-N 425.466 4.169 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC(F)(c2cccnc2)CC1 551302874 YEQDRBULBPDJTG-UHFFFAOYSA-N 426.370 4.179 5 20 IIBD CC1(C)CN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)[C@H]1[C@@H]1CCCO1 555110552 NYCWAZPYOKNNKI-RDJZCZTQSA-N 439.299 4.117 5 20 IIBD Cc1ccc(NC(=O)c2c(C)cccc2[N+](=O)[O-])cc1S(=O)(=O)N1CCCCCC1 560882488 XPBAFSUQHFHDKU-UHFFFAOYSA-N 431.514 4.029 5 20 IIBD COc1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c(OC)n1 562080509 DDOPHUXYQPPOMG-UHFFFAOYSA-N 448.273 4.319 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc([C@@H](C)CNC(=O)c2ccccc2)no1 564249094 APTKNOZDZMTFJF-NSHDSACASA-N 445.273 4.249 5 20 IIBD CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 569181126 OEWFPADOSMZPBR-INIZCTEOSA-N 427.501 4.351 5 20 IIBD C[C@H]1Oc2ccccc2[C@@H]1NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 573996624 AVEFPKQIQDZQBU-ZUOKHONESA-N 449.429 4.468 5 20 IIBD C[C@@H](CNC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(C)C 603571378 DLZNLRQAXHNUGJ-LBPRGKRZSA-N 427.448 4.445 5 20 IIBD COc1ccc(CSc2nnc(C3CC3)n2-c2cccc(NC(C)=O)c2)cc1[N+](=O)[O-] 603724641 LHJXSBNABYVGCR-UHFFFAOYSA-N 439.497 4.312 5 20 IIBD C[C@@H](Nc1cccc(COCC(F)(F)C(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 604046297 XRZQYFGSEMDEJO-GFCCVEGCSA-N 429.370 4.451 5 20 IIBD CN(CC(=O)N(C)C1CCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 604106071 ZKWVNYDHGQDVMM-UHFFFAOYSA-N 425.485 4.250 5 20 IIBD CN(Cc1ccc(C(C)(C)C)cc1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 604155977 CLXSECCXENWRAE-UHFFFAOYSA-N 435.427 4.091 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 608877548 KHPXFNBVZBBAJP-YCRPNKLZSA-N 437.883 4.272 5 20 IIBD CCN(C(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)[C@@H](C)c1cccc(C(F)(F)F)c1 608878891 MQROOXCYNZVOMJ-KBPBESRZSA-N 437.418 4.342 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OC)cc2Br)cc1OC 608899976 HIUUXWMQQABHJO-UHFFFAOYSA-N 425.235 4.026 5 20 IIBD CCOCCOc1ccc(Cl)cc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 609103517 HLHVQVZIMXCQPD-UHFFFAOYSA-N 430.848 4.102 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 609405576 ZEKOGPIVCIRWRQ-IBGZPJMESA-N 426.860 4.422 5 20 IIBD C[C@H](Oc1ccccc1NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)c1ccccc1 609652405 VKAAVUMVEGUWJU-INIZCTEOSA-N 447.447 4.099 5 20 IIBD COc1ccc(CN[C@@H](CO)c2cccc(F)c2)cc1OCc1ccc([N+](=O)[O-])cc1 609708349 HAGWPBKSTMGOSA-NRFANRHFSA-N 426.444 4.145 5 20 IIBD C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 609783554 PHUYFEITYDXSIU-CQSZACIVSA-N 444.944 4.306 5 20 IIBD O=C(c1csc(-c2ccc(Cl)s2)n1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 609841625 WDGKGBKPZCVOKT-SNVBAGLBSA-N 435.918 4.155 5 20 IIBD Cc1c(Cl)cccc1OCC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 609854442 LGUKROXCKBXBCX-KRWDZBQOSA-N 434.876 4.135 5 20 IIBD CC(C)CNC(=O)N1CCC[C@H](C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 610158261 SFDITIJVGXBOHD-KRWDZBQOSA-N 440.500 4.403 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(COCc2ccccc2)cc1 610201170 GZNHCCYTPOTNMX-KRWDZBQOSA-N 433.464 4.069 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NC[C@@H]2CCO[C@@H](C)C2)c([N+](=O)[O-])c1 611298619 GFCIXQKJCNOEFR-DLBZAZTESA-N 433.530 4.037 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](Cn3cnc4ccccc43)C2)cc1SC 614351155 ICCOICKTOZUNOL-OAHLLOKOSA-N 440.525 4.227 5 20 IIBD O=C(Nc1cccc(SC(F)F)c1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 727345100 XJWSBWPJSOSPGG-SNVBAGLBSA-N 425.388 4.040 5 20 IIBD COc1cc(CCNC(=O)/C=C\c2cccc(OC3CCCC3)c2)c([N+](=O)[O-])cc1OC 727673266 YDGNFFIQLLYYMO-KHPPLWFESA-N 440.496 4.306 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])c1C 727950591 DZUHGBVVRSLTBA-KGLIPLIRSA-N 443.308 4.127 5 20 IIBD O=C(Cn1ccc([N+](=O)[O-])n1)O[C@@H](Cc1ccccc1)c1ccc(Br)cc1 727962872 LTVSLDAGCDYWBC-KRWDZBQOSA-N 430.258 4.081 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2cccc3ccccc23)cc1SC 728650076 CMHNKFKOUCOUFW-UHFFFAOYSA-N 426.450 4.274 5 20 IIBD C[C@@H](OC(=O)[C@H](C)c1ccccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 731393393 DVGQHGHSUYHNTC-GHMZBOCLSA-N 428.338 4.427 5 20 IIBD O=C(OCCc1ccccc1C(F)(F)F)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 732503484 GBCVQJUGBJEVAF-CQSZACIVSA-N 442.415 4.066 5 20 IIBD C[C@H](OC(=O)CO[C@@H]1CCCC[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 733572427 XFWRDXNHTYNISM-MQIPJXDCSA-N 432.395 4.079 5 20 IIBD O=c1c2ccccc2nc(SCc2cc([N+](=O)[O-])ccc2Cl)n1C[C@@H]1CCCO1 735416212 YEHDRJWYYHIVLJ-HNNXBMFYSA-N 431.901 4.429 5 20 IIBD C[C@@H](CC(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 738748190 YEIHVXIFLNUJOR-NSHDSACASA-N 428.338 4.428 5 20 IIBD Cc1cncc(C(=O)O[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)c1 742702637 HPLNBENDBWOUBF-LJQANCHMSA-N 425.828 4.488 5 20 IIBD CCOC(=O)c1cc(C(=O)Oc2ccc(N(C)C(=O)OC(C)(C)C)cc2)cc([N+](=O)[O-])c1 742766023 TWYIWYFNDAWGCC-UHFFFAOYSA-N 444.440 4.362 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)O[C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)cc1[N+](=O)[O-] 744769415 MNVVSOOXDPDPBR-NSHDSACASA-N 446.803 4.357 5 20 IIBD CCN(CC)[C@H](C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 744996411 IWMKIQPPMFVMJR-LIRRHRJNSA-N 433.892 4.202 5 20 IIBD C[C@H](C(=O)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccccc1C(F)(F)F 745310229 BMCZTZGHSQSVHV-LBPRGKRZSA-N 438.358 4.259 5 20 IIBD CC(C)[C@@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)N1CCCC[C@H]1C 747957780 UGPHPCOWUPHBOY-RDTXWAMCSA-N 431.514 4.301 5 20 IIBD O=Cc1ccc([N+](=O)[O-])c(OCC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)c1 748150714 JEPBROSMDSLJGF-UHFFFAOYSA-N 442.431 4.278 5 20 IIBD COc1ccc(I)c(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1 750185276 KOCWWFUCUOLSEE-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD Cc1cc(C(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)c2c(C(C)C)noc2n1 750435615 ZSBQLPCAERNKHE-UHFFFAOYSA-N 439.472 4.031 5 20 IIBD O=C(Nc1cccc(Oc2ccccc2)c1)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 751208677 SIMAEGKNYQBIGV-UHFFFAOYSA-N 437.364 4.319 5 20 IIBD O=C(OCc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1)c1c[nH]c(C(=O)N2CCCC2)c1 752217130 LBFYXKSVDMAIKN-UHFFFAOYSA-N 435.436 4.308 5 20 IIBD Cc1ccc(C(=O)C2CCN(CN3CCN(c4ccccc4[N+](=O)[O-])C3=O)CC2)c(C)c1 752789127 NEHLEGYTYUMUMX-UHFFFAOYSA-N 436.512 4.006 5 20 IIBD CC(C)(C)O[C@H](C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 754533731 JRTXERVRWBIMGV-NQIIRXRSSA-N 440.496 4.299 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 755332680 BTWXMQYYFTWHME-UHFFFAOYSA-N 440.500 4.060 5 20 IIBD CCOc1cc(COC(=O)[C@H]2CCCN2c2ncnc3sc(C)cc23)ccc1[N+](=O)[O-] 755551855 SPZNZWGJUFHNHW-QGZVFWFLSA-N 442.497 4.019 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@H](C)CC(=O)c1ccc(Cl)cc1 759851174 JRDOPOFVMGEBSM-OLZOCXBDSA-N 448.859 4.036 5 20 IIBD CCCN(CCC)C(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)cc1 760343502 NASHDZDCAFTHKK-UHFFFAOYSA-N 437.493 4.105 5 20 IIBD O=C(c1cnn(-c2ccccc2)c1Br)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 760413460 NCMWDTVEYZESNN-UHFFFAOYSA-N 441.285 4.348 5 20 IIBD C[C@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Br)cc2)no1 760828566 KDJUPTZJMAAVDY-MCWZUMHDSA-N 443.257 4.298 5 20 IIBD Cc1cc(Br)cn2cc(CNC3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nc12 760883280 IUXMJOBZPSGDLW-UHFFFAOYSA-N 444.333 4.072 5 20 IIBD Cc1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Br)c(Cl)cc1F 761129772 BUKOYVNOADIHCN-UHFFFAOYSA-N 430.613 4.498 5 20 IIBD C[C@H](OC(=O)[C@H](C)Sc1nc2ccccc2s1)C(=O)Nc1ccccc1[N+](=O)[O-] 762910727 UFKWHWXBHWCGOX-RYUDHWBXSA-N 431.495 4.256 5 20 IIBD CC(=O)Nc1cccc([C@H](C)OC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 764591852 GZFGQTQKFUDZMG-NSHDSACASA-N 426.347 4.412 5 20 IIBD O=C(CSc1nnc(Cc2c(F)cccc2Cl)o1)Nc1ccc(F)c([N+](=O)[O-])c1 768356615 WLIQBMCXPITENR-UHFFFAOYSA-N 440.815 4.231 5 20 IIBD Cn1ccnc1[C@@H](O)[C@@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 770333036 VQUDACBAWSILIE-VLIAUNLRSA-N 430.892 4.187 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2cc(O)nc(C3CC3)c2)c2ccccc2)c([N+](=O)[O-])c1 770589223 GSJCCBXDQPBGFI-JOCHJYFZSA-N 447.447 4.418 5 20 IIBD CCOc1ccc(-c2nc(COC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)co2)cc1 773141604 RDRKXDPVQPVDBI-UHFFFAOYSA-N 427.369 4.222 5 20 IIBD Cc1nc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])sc1Cc1ccc(F)cc1F 775167371 FGEXZMFBDCGCCG-UHFFFAOYSA-N 443.428 4.169 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccn(C(F)F)n2)c2ccccc2)c([N+](=O)[O-])c1 775938274 CMTBDEHFYHJXFL-KRWDZBQOSA-N 430.367 4.032 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2ccc([C@@H](C)O)c(C)n2)cc1 781006273 FUIJTXNRWJWZTD-OAHLLOKOSA-N 437.452 4.082 5 20 IIBD O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1Br 782170840 ZLBUJORMXABKDY-ZDUSSCGKSA-N 434.073 4.128 5 20 IIBD C[C@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1noc(-c2ccccc2)n1 784086065 YXEFJXPFKSMWCJ-NSHDSACASA-N 432.230 4.254 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1sc(N2CCCC2)nc1Cl 785659718 NFJPXVYYXVFNHH-UHFFFAOYSA-N 434.827 4.254 5 20 IIBD CC[C@H](OC1CCCC1)C(=O)O[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 785931261 DVFZKKAYFNOFOE-UGSOOPFHSA-N 447.513 4.326 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 786992820 VQHNJHCGLZWGSK-CABCVRRESA-N 444.488 4.269 5 20 IIBD O=C(NC[C@H](C(=O)OCc1ccccc1)c1ccccc1)c1cc(F)c([N+](=O)[O-])cc1F 787537590 POUOLCLEFHRWGL-SFHVURJKSA-N 440.402 4.130 5 20 IIBD COc1ccccc1OCC(=O)Nc1cccc(N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 788705122 SHQWCEBLONTTSR-OAHLLOKOSA-N 436.468 4.376 5 20 IIBD CCCOc1cc(OC)ccc1C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 789216009 RDGKMRADTJBYFA-ZDUSSCGKSA-N 427.413 4.360 5 20 IIBD Cn1cc(C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c(-c2ccoc2)n1 789404925 UQNSXYIUWIEIGO-UHFFFAOYSA-N 432.392 4.060 5 20 IIBD Cn1cc(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c(-c2cccs2)n1 791234010 GJJQOTGBOZIMKU-UHFFFAOYSA-N 447.314 4.018 5 20 IIBD O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCC(N2CCc3ccccc32)CC1 800110066 XGEPYIGYBBWCDU-UHFFFAOYSA-N 430.302 4.025 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 800596501 APVGCVZOPACDCE-FQEVSTJZSA-N 425.391 4.026 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCc1c(OC(C)C)ccc2ccccc12 800624708 HHHIATPFKFNDOL-UHFFFAOYSA-N 439.443 4.238 5 20 IIBD CCc1c(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)cnn1-c1cccc(C(F)(F)F)c1 801962517 KBPINOLWIVIPSA-UHFFFAOYSA-N 437.353 4.335 5 20 IIBD COc1cc2c(cc1OC)CN(C(=O)CCCNc1cc(Cl)ccc1[N+](=O)[O-])CC2 804441641 HCGTXXMXFKJXPI-UHFFFAOYSA-N 433.892 4.042 5 20 IIBD COc1ccc(C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)c(C)c1OC 807990927 GEXOFBRKGQQULP-UHFFFAOYSA-N 440.456 4.021 5 20 IIBD Cc1ccc([C@@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c2ccccn2)cc1 809841020 YLSUYRAFJLHIDT-LJQANCHMSA-N 435.864 4.159 5 20 IIBD CCc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C(C)C)cc1 810345060 AOIKZKUDICPFJS-SFHVURJKSA-N 448.317 4.372 5 20 IIBD COc1cc(C(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc(NC(C)=O)c1OC 811086504 WCDDZANDIWRBEL-UHFFFAOYSA-N 443.239 4.234 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)ccc1[N+](=O)[O-] 814430892 JKXOUYFPRLILBJ-MOPGFXCFSA-N 431.533 4.403 5 20 IIBD CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F 814484853 NCMXXCXTCJXRAV-KGLIPLIRSA-N 431.464 4.497 5 20 IIBD C[C@H](c1ccc(F)cc1)N1CC[C@H](OC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1=O 815511302 DFGXWYAUGIOCJC-DIFFPNOSSA-N 440.349 4.272 5 20 IIBD CC(C)(C)OC(=O)N1CC2(CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC2)C1 820149614 LVNAOBWVGVRTPT-UHFFFAOYSA-N 431.533 4.365 5 20 IIBD CS(C)(=O)=Nc1cccc(NCc2cc(I)cc([N+](=O)[O-])c2)c1 864015559 RLQIHYBOAPLNJH-UHFFFAOYSA-N 445.282 4.171 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 914909241 XDVAEQAJYMHPIN-UHFFFAOYSA-N 437.452 4.149 5 20 IIBD CCC(CC)N(C(=O)c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1)C1CC1 916053280 ZMXKBYZLYOBVCN-UHFFFAOYSA-N 446.525 4.464 5 20 IIBD C[C@H](Sc1ccccc1Cl)C(=O)N(C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 916993650 NQPLDASFYTWECN-JTQLQIEISA-N 449.337 4.230 5 20 IIBD O=C(OCC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)c1cc2cc([N+](=O)[O-])ccc2o1 917263197 NAJBGDBDWHGJHG-INIZCTEOSA-N 449.375 4.062 5 20 IIBD O=C(COC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)Nc1ccc(Br)cc1F 919213953 NXUQHFBYSJTZIV-UHFFFAOYSA-N 437.177 4.038 5 20 IIBD Cc1cc2occ(CC(=O)OCCNC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2cc1C 920147004 FCAISPAMKCLXBP-UHFFFAOYSA-N 430.844 4.127 5 20 IIBD CN(Cc1nc([C@H](NC(=O)OC(C)(C)C)c2ccccc2)no1)c1ccccc1[N+](=O)[O-] 1318771619 WKCGLVLAOJGQGM-LJQANCHMSA-N 439.472 4.228 5 20 IIBD Cc1noc(-c2ccc(-c3nc(Cc4ccc([N+](=O)[O-])cc4Br)no3)cc2)n1 1320334779 ZSYFVKNVYIPOII-UHFFFAOYSA-N 442.229 4.357 5 20 IIBD COc1cc(NC2CCN(c3ncnc4c(Cl)cc([N+](=O)[O-])cc34)CC2)cc(OC)c1 1324339639 BBFLVVJCLPMVNJ-UHFFFAOYSA-N 443.891 4.290 5 20 IIBD COc1cc(-c2nnc(CCc3ccccc3)o2)c([N+](=O)[O-])cc1OCc1cscn1 1326986586 GPRDPEXLCUJCEH-UHFFFAOYSA-N 438.465 4.474 5 20 IIBD CC(F)(F)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])cc2)CCC1 1792315565 BLJJLGBLCLHEIS-KPKJPENVSA-N 429.423 4.397 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/C1CCCCC1)c1cc(F)cc([N+](=O)[O-])c1 1800123272 TWYOMYUDZIYZAI-BQBAOMCESA-N 429.492 4.122 5 20 IIBD CC/C=C(\C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cc([N+](=O)[O-])ccc2F)[nH]n1 1823090118 CCKCLCVCHKGVHK-CXPVQLEGSA-N 443.479 4.048 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC([C@H]2CCCCN2C(=O)CC2CC2)CC1 1826610959 NHFCDQPRXDXHNY-RQWLHQTBSA-N 425.529 4.028 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)NCc1cccs1 9066661 ZKOAZWBNXWLBRH-UHFFFAOYSA-N 428.491 4.281 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1F 10723343 IXMCIZFBLUQNTA-MRXNPFEDSA-N 432.451 4.173 5 20 IIBD C[C@@H](OC(=O)[C@H]1Cc2ccccc2S1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 12994057 XFJUJTLONQVNOD-QLJPJBMISA-N 440.399 4.201 5 20 IIBD Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)OCc1ccccc1[N+](=O)[O-] 17734878 JEJUXXFOAALTSQ-UHFFFAOYSA-N 447.369 4.342 5 20 IIBD O=C(COC(=O)CSc1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccccc1)c1cccs1 18357795 DHUZYVMRZQSIKE-NRFANRHFSA-N 442.518 4.197 5 20 IIBD C[C@H](Sc1nnc2n1CCCCC2)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 24833586 DQVYFZDCNLDYAR-LBPRGKRZSA-N 444.542 4.156 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(C(=O)Nc2cccnc2)cc1 24905572 VDROKKUATHNUTH-UHFFFAOYSA-N 448.482 4.441 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 26119627 BRIZACWFZDNLCA-MRXNPFEDSA-N 439.449 4.092 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2cccc(OC(F)(F)F)c2)cc1[N+](=O)[O-] 31075307 LFLOUWZJPMPAIU-UHFFFAOYSA-N 439.375 4.025 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CSc3nnc(NCc4ccccc4)s3)n2)c1 31841133 AIVMVRRTJQDZPI-UHFFFAOYSA-N 426.483 4.401 5 20 IIBD CCOC(=O)c1c(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])sc2ccccc12 36716668 NIWPFXDEIGQJNM-UHFFFAOYSA-N 430.438 4.256 5 20 IIBD CCOc1ccc(NC(=O)CNc2ccc(C(=O)NC3CCCCC3)cc2)c([N+](=O)[O-])c1 63469910 UAILEMRFBCHMHB-UHFFFAOYSA-N 440.500 4.107 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])c1 301954402 JEMHXKISPSWUOC-YLJYHZDGSA-N 444.850 4.294 5 20 IIBD CCc1cc(Oc2ccc(I)cc2[N+](=O)[O-])nc(-c2ccncc2)n1 302506230 WJCJQKRCLLSIPM-UHFFFAOYSA-N 448.220 4.406 5 20 IIBD O=C(Nc1ccc2[nH]c(-c3cccc(F)c3)nc2c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 302952245 KKCFBULWRZSZLP-UHFFFAOYSA-N 443.398 4.110 5 20 IIBD Cc1ccn2cc(CNC(=O)c3ccc(N[C@@H](C)c4ccccn4)c([N+](=O)[O-])c3)nc2c1 410087981 JERICIRHVBXSOQ-INIZCTEOSA-N 430.468 4.049 5 20 IIBD COC[C@H](Cc1ccccc1)N(C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 426274581 ABELVGHFSBUOMC-SFHVURJKSA-N 425.407 4.013 5 20 IIBD C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N(C)Cc1nc2ccccc2o1 431608358 VZPLNLFGPHXCGY-ZDUSSCGKSA-N 437.481 4.319 5 20 IIBD C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1cccc(OCc2ccccc2)c1 433722729 DYVSNQQOXDQSRP-INIZCTEOSA-N 434.448 4.436 5 20 IIBD CC(C)c1[nH]nc(C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)c1[N+](=O)[O-] 434358643 IBSWCFRHPZDARZ-UHFFFAOYSA-N 447.249 4.038 5 20 IIBD O=C(NCc1nccn1CCCc1ccccc1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 435113964 PAQHRNJBSIFUQK-UHFFFAOYSA-N 445.426 4.347 5 20 IIBD O=C(NCc1nccn1CCCc1ccccc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437972955 AEFPTNKWSRXIIU-UHFFFAOYSA-N 433.512 4.298 5 20 IIBD CC1CCN(c2ccc(C(=O)NC[C@@H](c3ccccc3)C(C)(C)CO)cc2[N+](=O)[O-])CC1 438174004 LMHYVIUFLOSADW-NRFANRHFSA-N 439.556 4.363 5 20 IIBD COC(=O)[C@H](Sc1ccc(Br)cc1[N+](=O)[O-])c1cc(OC)cc(OC)c1 438899160 JBNISNKZJYFNNF-MRXNPFEDSA-N 442.287 4.381 5 20 IIBD CC(C)c1ccc(C(=O)Nc2ccc(C(=O)N(C)C3CCOCC3)cc2)cc1[N+](=O)[O-] 438972410 WQUCAHMKPHDJPR-UHFFFAOYSA-N 425.485 4.222 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1noc(-c2cccc(Br)c2)n1 439026247 LGKDYVBYNGPQOM-UHFFFAOYSA-N 432.234 4.037 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1cc(Cl)cc(F)c1F 442224589 UVLFKBJZJLDOQX-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD COc1cc(C(=O)NCCc2ccc(F)cc2C)c([N+](=O)[O-])cc1OCc1cscn1 446198688 WRWDHCJCPNFLJC-UHFFFAOYSA-N 445.472 4.059 5 20 IIBD CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 446308746 ZFJWVRJOPWMBHT-CYBMUJFWSA-N 449.857 4.210 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCc2c(Cl)cc(Cl)cc2[C@@H]1C 446448375 MXRMLJFNIRCHPS-RYUDHWBXSA-N 436.295 4.166 5 20 IIBD O=c1c(Br)cc([N+](=O)[O-])cn1Cc1ccc(OCc2ccc(F)cc2)cc1 446575619 KPEMBDJPSNUKBZ-UHFFFAOYSA-N 433.233 4.285 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)c(Br)c1 446999044 CWSCJXBKNXAJIX-UHFFFAOYSA-N 426.075 4.465 5 20 IIBD CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1OC 447020011 ZSIQFARCVMJAEU-LLVKDONJSA-N 448.419 4.060 5 20 IIBD COc1ccc(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1N1CCNC1=O 461046050 ONMKLTGIUYAPDR-UHFFFAOYSA-N 448.435 4.178 5 20 IIBD COCCN(Cc1ccco1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cccs1 461312008 UCNMKYQTAKDVGM-UHFFFAOYSA-N 439.497 4.209 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1N1CCCC1)N1CCOc2ccc([N+](=O)[O-])cc2C1 461406302 JLKVXYPOBPUDCK-UHFFFAOYSA-N 435.402 4.249 5 20 IIBD O=C(NC1CC1)c1ccc(NCCOc2ncc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])c1 462878911 VHUAFGIENUOTRP-UHFFFAOYSA-N 444.797 4.045 5 20 IIBD Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 464588502 VYCNTMZENVZKLN-QFIPXVFZSA-N 437.540 4.367 5 20 IIBD COc1ccc(N(C)C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)nc1 464691262 OHHDHIZKKORVAV-UHFFFAOYSA-N 443.463 4.057 5 20 IIBD Cc1sc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)cc1[N+](=O)[O-] 466955342 OEZYGMZKEFYOBF-UHFFFAOYSA-N 443.934 4.045 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 467216788 LJSBGUKZJPUVQY-KRWDZBQOSA-N 428.247 4.324 5 20 IIBD CN(C[C@@H](O)C(F)(F)F)C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 468331802 WPBKCXYUCBATKJ-OAHLLOKOSA-N 434.823 4.395 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(COC2CCCCC2)c1 468368889 XAFPCVWQNHBQAO-UHFFFAOYSA-N 448.497 4.032 5 20 IIBD Cc1ccc(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)cc1Oc1ncccc1Br 468612970 QITJILCUSKTHGA-UHFFFAOYSA-N 446.261 4.147 5 20 IIBD O=C(Nc1c(F)cccc1NC1CC1)c1ccc([N+](=O)[O-])cc1I 468961498 MKICPAJOBHKDNY-UHFFFAOYSA-N 441.200 4.165 5 20 IIBD C[C@H](CCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 470008786 KOVFFSVQJIUODL-CQSZACIVSA-N 437.418 4.044 5 20 IIBD CCO[C@H](C)c1nc(CN2CCN(C/C(C)=C/c3cccc([N+](=O)[O-])c3)CC2)cs1 470174713 MTVBZMKMYVVGGK-XCMFGDQWSA-N 430.574 4.370 5 20 IIBD CCc1ccc(C(=O)N2CCN([C@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)cc1[N+](=O)[O-] 472030139 PMAOZSKGQFWVHA-QGZVFWFLSA-N 449.511 4.035 5 20 IIBD CSc1nnc(CNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)s1 473228335 XQXZJLLQWSWYMU-UHFFFAOYSA-N 439.569 4.014 5 20 IIBD Cc1ccc(-c2noc([C@H](C)N3CCN(c4nc5ccccc5cc4[N+](=O)[O-])CC3)n2)cc1 473522967 QREQVNFIFFEXPO-KRWDZBQOSA-N 444.495 4.385 5 20 IIBD COc1ccc(Br)cc1[C@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1OC 475451790 RDRCEIBMWSEPET-OAHLLOKOSA-N 435.274 4.352 5 20 IIBD Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 475919818 XXHFQCJTRTWLFQ-HNNXBMFYSA-N 432.546 4.153 5 20 IIBD CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)COc1cccc([N+](=O)[O-])c1 478160506 DDXFIMLSXMBKFC-UHFFFAOYSA-N 440.283 4.158 5 20 IIBD CC(C)n1ncc2cc(COc3ccc(I)cc3[N+](=O)[O-])cnc21 479192765 ZSHOSOCHHUDBGQ-UHFFFAOYSA-N 438.225 4.104 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCC(=O)O)c2ccccc12 486059214 MPWHTRDGKXASLI-CYBMUJFWSA-N 426.450 4.331 5 20 IIBD CN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccc(Br)cc1Cl 488277737 FMRJOCCWRZNZDV-UHFFFAOYSA-N 435.665 4.473 5 20 IIBD COc1c(S(=O)(=O)N(C)c2ccc(C)cc2C)cc(Br)c(C)c1[N+](=O)[O-] 491762598 NCMSZEABEQSJTJ-UHFFFAOYSA-N 443.319 4.116 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 495389939 XJCCAMUUOCHDSE-UHFFFAOYSA-N 429.542 4.163 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)cc1[N+](=O)[O-] 498231496 LLROPFSYGPWOFP-LIRRHRJNSA-N 435.427 4.349 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC(n2cc(Cl)cn2)CC1 503218584 PGRJOIUTETXQPZ-UHFFFAOYSA-N 448.854 4.419 5 20 IIBD CCSc1cccc(NC(=O)[C@H](CCSC)NC(=O)c2cccc([N+](=O)[O-])c2)c1 504146887 WPDFLMPXUDWSOO-SFHVURJKSA-N 433.555 4.197 5 20 IIBD Cn1cc(-c2nc([C@@H]3CCCCCN3C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)no2)cn1 504521013 HJIABYCYPUFCAI-INIZCTEOSA-N 445.867 4.181 5 20 IIBD Cc1ccc(-c2nc(NC(=O)CSc3ccc(C(N)=O)cc3[N+](=O)[O-])sc2C)s1 504863885 ICPKNHAPCZMIGZ-UHFFFAOYSA-N 448.551 4.226 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC(Cc2ccc(F)cc2)CC1 504929277 IJADTGRICAPEDV-UHFFFAOYSA-N 425.504 4.432 5 20 IIBD O=C(NCc1nnc(C2CC2)o1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 506132675 VPRQSBPXJZONQO-UHFFFAOYSA-N 427.848 4.051 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC(C)(C)CCc3ccccc32)cc1OC 508333956 YZYBZSGRTKBCTO-IBGZPJMESA-N 442.512 4.462 5 20 IIBD Cc1ccc(Br)cc1-c1noc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)n1 508635407 IJUXDEYOIUMBLS-NSHDSACASA-N 431.246 4.207 5 20 IIBD O=C(NCc1ccncc1OCc1ccccc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 509253308 FCOKMKOFJWHZAF-UHFFFAOYSA-N 432.480 4.443 5 20 IIBD C[C@@H](Nc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-])c1c(F)cccc1F 510125166 OYBBFTMTEXRCNN-CYBMUJFWSA-N 425.457 4.221 5 20 IIBD COc1ccc(Br)c(CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)c1 510709548 OFUANFGGRXTNLN-UHFFFAOYSA-N 434.290 4.214 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)cc1[N+](=O)[O-] 512190542 YIMBERKAJKVLIA-APWZRJJASA-N 430.526 4.121 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 512277643 MLQCOPADMCUTGA-KOSHJBKYSA-N 433.512 4.304 5 20 IIBD O=C(Nc1ccc(Cl)c(F)c1N1CCOCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 512905116 IXTXEFKRWSEDNY-UHFFFAOYSA-N 434.855 4.051 5 20 IIBD CS(=O)(=O)C1(CNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCCC1 512971559 ILOVCKDKIPXFJX-UHFFFAOYSA-N 438.933 4.488 5 20 IIBD O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)Nc1ccc([N+](=O)[O-])cc1Cl 518520900 RZVHAAVYCUCXKL-UHFFFAOYSA-N 429.908 4.424 5 20 IIBD O=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 518888343 RVONPGQOZNHXFX-UHFFFAOYSA-N 425.404 4.440 5 20 IIBD C[C@H]1CO[C@H](c2ccccc2Cl)CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 518973713 GBRBPMOXIYYLLW-ZBEGNZNMSA-N 431.297 4.052 5 20 IIBD CCOc1cc(C(=O)NC(C)(C)c2ccc(Br)cc2)c([N+](=O)[O-])cc1OC 519076259 VHMOPPLISUFOPT-UHFFFAOYSA-N 437.290 4.430 5 20 IIBD COc1cc(OCC(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)ccc1[N+](=O)[O-] 519985392 PZMIUSOQFTZPEH-UHFFFAOYSA-N 429.816 4.462 5 20 IIBD COc1cc(OCC(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)ccc1[N+](=O)[O-] 520550568 WOSQWCVKFUQRRM-UHFFFAOYSA-N 445.447 4.279 5 20 IIBD CC(C)N1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CC1=O 523153908 JJFWABHBSWKZGH-AWEZNQCLSA-N 433.917 4.139 5 20 IIBD CCCc1[nH]nc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)c1[N+](=O)[O-] 523158310 WHGSINIUBODXMH-UHFFFAOYSA-N 427.848 4.428 5 20 IIBD C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1nc(-c2ccncc2)cs1 524253794 VSPHWVCHAONFJQ-JTQLQIEISA-N 433.287 4.367 5 20 IIBD CS(=O)(=O)[C@@H]1CCC[C@H](NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 524884693 QHOSDLDAENLMJV-JKSUJKDBSA-N 438.933 4.486 5 20 IIBD CCCCN1C(=O)CC[C@@H](C(=O)N(C)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1OC 532825056 BJDKHOIZDJRVPO-NFBKMPQASA-N 439.512 4.346 5 20 IIBD CCN(Cc1c(F)cccc1F)C(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)OC 534222657 QYUKUXOZEHPJOH-UHFFFAOYSA-N 438.452 4.191 5 20 IIBD O=C(Nc1ccccc1OCC(F)F)c1cc(I)cc([N+](=O)[O-])c1 534292965 VMCVSUSJHGJNHI-UHFFFAOYSA-N 448.163 4.096 5 20 IIBD COc1ccccc1COc1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1C 534689954 DGXGQBREBOKLQT-UHFFFAOYSA-N 428.466 4.292 5 20 IIBD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)ccc21 534698644 YWQYLMLFZBOLAO-UHFFFAOYSA-N 447.495 4.080 5 20 IIBD CCCN(CCC)C(=O)c1cccc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 538695993 PUGRDQWOGGQSPL-UHFFFAOYSA-N 431.920 4.483 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c1 540623329 SRBWQRZKJMVHHP-IBGZPJMESA-N 438.402 4.291 5 20 IIBD CC(C)N1C(=O)C[C@@H](C(=O)NCc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 540644523 MDCCMKMGQCCVGA-FOIQADDNSA-N 433.867 4.002 5 20 IIBD CO[C@H](C)c1nc(CN2CCCN(c3cc(C)nc4ccc([N+](=O)[O-])cc34)CC2)cs1 541190862 QLJZJJISKGWBJI-MRXNPFEDSA-N 441.557 4.328 5 20 IIBD COCCc1noc(-c2cc(Cl)ccc2NC(=O)CSc2ccccc2[N+](=O)[O-])n1 541303797 JKLIEJVUFSTTLS-UHFFFAOYSA-N 448.888 4.218 5 20 IIBD Cc1ccc(C(=O)N2CCC(NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 541434639 WQJSXMFKVWNQGA-UHFFFAOYSA-N 447.944 4.070 5 20 IIBD O=C(CNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)Nc1ccc(F)cc1 541605261 DYZHNAGAZGFFGO-UHFFFAOYSA-N 431.489 4.385 5 20 IIBD COc1ccc(-c2nc(C)c([C@@H](C)NC[C@H](O)COc3ccccc3[N+](=O)[O-])s2)cc1 542567471 AGWZXSZKXVETMO-PBHICJAKSA-N 443.525 4.126 5 20 IIBD CN(C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 542651920 OXAAYSVMAFCULM-DUXKGJEZSA-N 447.601 4.201 5 20 IIBD CC(C)(C)Oc1c(F)cc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)cc1F 543926995 VPVDDPZMEILQJG-UHFFFAOYSA-N 426.441 4.387 5 20 IIBD Cc1cc(Cc2noc([C@H]3CCCN(c4ncnc5sccc45)C3)n2)ccc1[N+](=O)[O-] 546491458 ZDLIAWPBZLLWPE-HNNXBMFYSA-N 436.497 4.266 5 20 IIBD Cc1cc(Cc2noc(-c3ccc(S(=O)(=O)C4CCCC4)cc3)n2)ccc1[N+](=O)[O-] 546562014 RPFLLPZMXATVGP-UHFFFAOYSA-N 427.482 4.260 5 20 IIBD CC(C)NC(=O)Nc1ccc(-c2noc(CCOc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 547114173 BTCNXBXXFLSCFB-UHFFFAOYSA-N 445.863 4.450 5 20 IIBD COCCO[C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 549808634 VBVUIIULNSRZMR-HNNXBMFYSA-N 439.306 4.245 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3cc(Br)ccc3n2CC)c1 554899670 LVONAVSADGTCOB-UHFFFAOYSA-N 433.262 4.378 5 20 IIBD CC(C)CO[C@H](C)c1noc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)n1 556433090 WAPXKQHWLBNFGQ-LLVKDONJSA-N 430.383 4.002 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@@H](Sc2cccc(Cl)c2)C1 561884095 VZWDSJOXBVOZGG-GOSISDBHSA-N 428.901 4.441 5 20 IIBD COc1cc(CCNC(=O)c2ccc(Nc3nc(C)cs3)cc2)c([N+](=O)[O-])cc1OC 562043942 VZISATZLROVANB-UHFFFAOYSA-N 442.497 4.093 5 20 IIBD COCCCOc1cc(C)ccc1CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 562848121 ZBMZFBZIGHVQFZ-UHFFFAOYSA-N 426.391 4.267 5 20 IIBD COCCOc1c(Cl)cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)c2)cc1Cl 571478402 IAGWMHGCICPBMD-UHFFFAOYSA-N 435.285 4.036 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])[C@H](OC1CCOCC1)c1ccccc1 573029906 PJQKTZKVMMLAOU-HJPURHCSSA-N 439.512 4.224 5 20 IIBD C[C@@H](C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1)c1cccc([N+](=O)[O-])c1 573781370 VANAQZMOSZLQBE-MRXNPFEDSA-N 431.920 4.011 5 20 IIBD CCCc1c(NC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cnn1-c1cccc(C)c1 575207209 WNIIDALXLAOULS-UHFFFAOYSA-N 435.484 4.235 5 20 IIBD COc1cc(C(=O)N2CCC[C@@H]2c2ncon2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 578283336 JKCAKNBFYYCBQP-CQSZACIVSA-N 444.831 4.409 5 20 IIBD CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 589646301 HEYVZBOLSOGTND-OAQYLSRUSA-N 437.500 4.327 5 20 IIBD Cc1cc(S(=O)(=O)N(Cc2cccnc2)c2ccc(Cl)cc2)c(F)cc1[N+](=O)[O-] 590591417 NBUCCEUNMFHNHJ-UHFFFAOYSA-N 435.864 4.486 5 20 IIBD COc1c(Br)cc(Cl)cc1NC(=O)CCNc1ccccc1[N+](=O)[O-] 591757901 SKHXLPGPEDDSHS-UHFFFAOYSA-N 428.670 4.460 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@H](c3ccsc3)N(C)C)cc2[N+](=O)[O-])C1 603872865 ZPGZVZHDBKEIMX-VWKPWSFCSA-N 430.574 4.171 5 20 IIBD Cc1c(NC(=O)[C@@H](C)Oc2ccc(S(=O)(=O)c3ccccc3)cc2)cccc1[N+](=O)[O-] 603934864 JILZERWABSAHFS-MRXNPFEDSA-N 440.477 4.142 5 20 IIBD Cn1c([C@H]2CCCCN2C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)nc2ccccc21 603939971 AGUXBEAFBJSSDC-HSZRJFAPSA-N 447.539 4.452 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@H](C)c2ccccc2OC(C)C)ccc1[N+](=O)[O-] 608804727 XPJHRCXODGMXCK-UTKZUKDTSA-N 439.512 4.172 5 20 IIBD CC(=O)N1CCCCC[C@H]1C1CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 609464732 UDJXFQATEZYPSU-IERDGZPVSA-N 441.532 4.209 5 20 IIBD CCN1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Br)c(C)c2)CC1 610036474 VOYBNNNUKCWTMR-UHFFFAOYSA-N 447.333 4.060 5 20 IIBD O=C(COc1ccc(F)cc1Br)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 610210405 NGZVARNMNMQRSN-KRWDZBQOSA-N 441.278 4.149 5 20 IIBD Cc1cc(=O)c(C(=O)Nc2ccc(COC(C)(C)C)cc2)nn1-c1ccccc1[N+](=O)[O-] 610624573 HMTQVYJKZJKFPQ-UHFFFAOYSA-N 436.468 4.017 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 614546768 FYISGSNXQDXNLE-QHCPKHFHSA-N 437.521 4.366 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(c2ccccc2C(=O)O)CC1 615166931 LLOIYCILCRBADJ-ZDUSSCGKSA-N 432.860 4.120 5 20 IIBD CC[C@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)C1CCCCC1 619532672 ZQWPHUIGSJWWMR-AWEZNQCLSA-N 426.311 4.079 5 20 IIBD COc1cc(C(=O)OCC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)ccc1[N+](=O)[O-] 725945811 PZWGKYQKAPKTDJ-QGZVFWFLSA-N 432.448 4.193 5 20 IIBD CCN(Cc1ccc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1)C(C)C 726053420 IQGNELROSKDFAO-UHFFFAOYSA-N 433.892 4.274 5 20 IIBD CCOC(=O)N(C)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 726956617 XUCJTNMLMIJPLM-UHFFFAOYSA-N 443.525 4.439 5 20 IIBD C[C@H](Oc1ccccc1C(F)(F)F)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 727203411 PEGWMCBFADUCIS-JTQLQIEISA-N 446.765 4.216 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 727932698 WBWWBXXTRBKCNC-OLZOCXBDSA-N 439.251 4.196 5 20 IIBD Cc1cccc(C(=O)OCC(=O)Nc2cccc(CSc3ccccn3)c2)c1[N+](=O)[O-] 733376209 QDPXUFZJKYXOKY-UHFFFAOYSA-N 437.477 4.386 5 20 IIBD Cc1cc(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)n1Cc1ccccn1 735604633 QKZCSKFZWRYOKU-UHFFFAOYSA-N 432.436 4.468 5 20 IIBD O=C(Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1)C1=NO[C@@H](c2ccccc2)C1 735638454 VZBIGBQSZCSYRG-OAQYLSRUSA-N 443.419 4.497 5 20 IIBD Cc1c(C(=O)Oc2ccc(NC(=O)OC(C)(C)C)cc2)nnn1-c1cccc([N+](=O)[O-])c1 742098192 LGLCYLVACORZME-UHFFFAOYSA-N 439.428 4.050 5 20 IIBD C[C@@H](CC(=O)c1cccc(F)c1)C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 745396082 FIHIRSHLERTAOT-STQMWFEESA-N 427.388 4.297 5 20 IIBD O=C(COC(=O)[C@@H]1CCSc2ccccc21)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 745428798 QTBHWLBUNCTBEU-CYBMUJFWSA-N 440.399 4.375 5 20 IIBD CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCc1cc(Cl)ccc1[N+](=O)[O-] 746074500 DJWBXRQHESEPKQ-JLTOFOAXSA-N 430.888 4.291 5 20 IIBD C[C@@H]1[C@H](C(F)(F)F)OC(=O)N1c1ncccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 746485784 UZHNXFOATWHTFD-AMIZOPFISA-N 444.753 4.172 5 20 IIBD Cc1c(C(=O)NCc2ccc(Oc3cccc(F)c3)nc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 749144290 UWUWQZXBSATTIW-UHFFFAOYSA-N 440.387 4.376 5 20 IIBD CC(C)N(C)CC1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)CC1 750856451 KESJUCWYTJOVGX-UHFFFAOYSA-N 432.746 4.203 5 20 IIBD COc1cccc(C2(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3Cl)CC2)c1 750904801 LBAAFZNZFGLSLH-UHFFFAOYSA-N 425.666 4.438 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)Nc1cccc(Br)c1 754991006 VBRJZXPMOYZMMK-QMMMGPOBSA-N 445.628 4.334 5 20 IIBD COc1cc(-c2noc(CCC(=O)Oc3ccc(C)c([N+](=O)[O-])c3)n2)cc(Cl)c1OC 755250775 SKTVWKQERDRJRL-UHFFFAOYSA-N 447.831 4.162 5 20 IIBD CCC[C@@H]1CCCN(C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 757741979 RPIJYPYKYWLVEQ-MRXNPFEDSA-N 432.498 4.015 5 20 IIBD Cc1c(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cnc(Cl)c1Br 758945928 FVJAKEBHOHDIPC-UHFFFAOYSA-N 441.090 4.168 5 20 IIBD C[C@H](C[C@H](O)c1ccccc1)NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 759088120 OOICNGHBWRCDKB-QZMQVMSPSA-N 434.496 4.405 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cc([N+](=O)[O-])ccc1N1CCCC1 760478230 PTXAPCWZOYTVHM-UHFFFAOYSA-N 438.396 4.115 5 20 IIBD C[C@@H](C(=O)Nc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2)c1cccc([N+](=O)[O-])c1 761810152 OOALOEUXOAVIOP-GFCCVEGCSA-N 432.502 4.087 5 20 IIBD CCOCCOCc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)c1C 761902493 ZOBBOEIJNNAQRS-UHFFFAOYSA-N 442.921 4.219 5 20 IIBD C[C@@H]1CCN(C(=O)COC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c2ccccc2S1 762904690 VBYJFBVAFMDHOW-CYBMUJFWSA-N 425.466 4.150 5 20 IIBD C[C@H](OC(=O)c1cc(N(C)C)nc2ccccc12)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 763288542 PFPVRKFUCYVZKX-ZDUSSCGKSA-N 433.424 4.177 5 20 IIBD COc1cc(C(C)=O)c(OC)cc1OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 764310617 GNPGREDRGSSLOM-UHFFFAOYSA-N 428.422 4.157 5 20 IIBD COc1cc(CNC[C@](C)(O)c2cccc(Cl)c2)c([N+](=O)[O-])cc1OCC(F)(F)F 764984390 VHTHAGDXWVKWFO-SFHVURJKSA-N 448.825 4.195 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)cc1-c1ncco1 765106908 POARTVXFKLZBKH-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD CC(=O)[C@H](Cc1ccc(F)cc1F)OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F 768748128 SRCIBUCQKWQJSJ-INIZCTEOSA-N 446.175 4.132 5 20 IIBD O=C(Nc1ccnn1Cc1ccc(Br)cc1)c1cc(F)c([N+](=O)[O-])cc1F 770058835 ZAWIPMSWGGCXAJ-UHFFFAOYSA-N 437.200 4.133 5 20 IIBD CC(C)([C@H](OC(=O)CCC(=O)c1ccccn1)c1ccc(Br)cc1)[N+](=O)[O-] 774374339 IWXVYCXBCVFYIA-GOSISDBHSA-N 435.274 4.147 5 20 IIBD CSc1cccc(C(=O)OCC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1[N+](=O)[O-] 777074053 GIMOGGUVEHIIHX-UHFFFAOYSA-N 430.482 4.341 5 20 IIBD C[C@](O)(CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1ccccc1 779346738 LKZCZJGIPMNYIX-KRWDZBQOSA-N 427.682 4.038 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCc1cccc(CN2CCCCCC2)c1 781619568 RUDNEMFIQALYMH-UHFFFAOYSA-N 440.500 4.128 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])c2nsnc2c1)c1nnc(-c2cccc(Cl)c2)o1 784724297 RAYQLDQPVANOSX-MRVPVSSYSA-N 431.817 4.221 5 20 IIBD COC(=O)c1ccc(CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c(Br)c1 785864070 LOCFFGZLYPNRPN-UHFFFAOYSA-N 436.262 4.082 5 20 IIBD CC[C@@H](Oc1ccccc1Cl)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 786589990 WFNIWJPVFGAKNC-OAHLLOKOSA-N 427.240 4.241 5 20 IIBD O=C(NCC1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1)OCc1ccccc1 787329621 XIZLOCHNPRDQCY-UHFFFAOYSA-N 449.454 4.335 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 790808069 PKSFQHCKPYJZPN-UHFFFAOYSA-N 449.744 4.429 5 20 IIBD C[C@H]1CN(Cc2ccccc2NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 790840118 VDGVZIGZSMQLET-KBPBESRZSA-N 435.883 4.178 5 20 IIBD CC(C)c1c(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cnn1-c1ccccc1 795351299 BVMHHCIDMDERDP-UHFFFAOYSA-N 438.868 4.497 5 20 IIBD CC(C)(C)OC(=O)NCc1ccc(OS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 796035947 CJLOIKXHQHKUAI-UHFFFAOYSA-N 442.877 4.041 5 20 IIBD C[C@@H](OC(=O)c1cc2sc(N3CCCC3)nc2s1)C(=O)Nc1ccc([N+](=O)[O-])cc1 796313470 LHFXRPKENVRXSG-LLVKDONJSA-N 446.510 4.050 5 20 IIBD Cc1cc(OCC(=O)N(Cc2ccccc2)C[C@H](O)c2cccs2)ccc1[N+](=O)[O-] 797738560 FVJZTDKQEALMCP-FQEVSTJZSA-N 426.494 4.106 5 20 IIBD CC(C)n1ncnc1COC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 801211374 AGZKYWZQGZBHRM-UHFFFAOYSA-N 443.847 4.030 5 20 IIBD C[C@H](N[C@H]1CCc2ccccc2OC1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 801570716 IFWRTZAAEAYZET-YOEHRIQHSA-N 438.509 4.029 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@H]1CCc2cc(Cl)ccc21 803256146 FUAZMBUKCBUMCD-MOPGFXCFSA-N 448.928 4.330 5 20 IIBD Cc1ccnc(-n2c(Sc3ncnc4sc([N+](=O)[O-])cc34)nc3ccccc3c2=O)c1 804337696 KEWRUFMHWXSEDN-UHFFFAOYSA-N 448.489 4.153 5 20 IIBD COc1cccc([C@H](O)CN(Cc2ccccc2)c2ncnc3sc([N+](=O)[O-])cc23)c1 804564192 OMDJCRIIFKGOMG-LJQANCHMSA-N 436.493 4.348 5 20 IIBD COc1cc(C(=O)N2Cc3cccc(Cl)c3C2)c([N+](=O)[O-])cc1OCc1cscn1 807815280 GVUSBPYDWPVAJQ-UHFFFAOYSA-N 445.884 4.448 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@H]2COc3ccccc3[C@H]2O)cc1 808453868 KPXNFYIGBMLERN-WIOPSUGQSA-N 442.475 4.032 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(C3(c4ccccc4Br)CC3)no2)cc([N+](=O)[O-])c1 809517240 AQSGLVTYFMQSNE-UHFFFAOYSA-N 431.202 4.395 5 20 IIBD CC[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1Cl)[C@H]1CN(Cc2ccccc2)CCO1 809915661 AUHUWLVSBQUMKB-QFBILLFUSA-N 432.908 4.049 5 20 IIBD O=C(OCc1nc2ccc(Br)cc2o1)c1ccc([N+](=O)[O-])c2cccnc12 812591102 RCKLIBJFYFVRID-UHFFFAOYSA-N 428.198 4.404 5 20 IIBD CN(C)c1cc(F)c(C(=O)OCc2ccc(OCc3cccnc3)cc2)cc1[N+](=O)[O-] 814483865 RAPGFHHHNRSRMG-UHFFFAOYSA-N 425.416 4.131 5 20 IIBD C[C@@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)c1ccc(N2CCCOC2=O)cc1 817299901 IHZNGVAJEPNULO-GFCCVEGCSA-N 437.374 4.451 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1cnn(-c2ccccc2F)c1C(F)(F)F 912568264 XSRGXXZZQGIAEG-UHFFFAOYSA-N 430.264 4.469 5 20 IIBD O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)OCc1ccccc1[N+](=O)[O-] 912830589 WIBMSJFUVHATHR-UHFFFAOYSA-N 447.476 4.073 5 20 IIBD Cc1ccc(NC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] 915301888 REXMPDNZACSTRC-INIZCTEOSA-N 430.417 4.016 5 20 IIBD Cc1c(NC(=O)c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)nc2)cccc1[N+](=O)[O-] 915827780 HURVBMBNIANJNH-UHFFFAOYSA-N 435.396 4.019 5 20 IIBD C[C@H](OC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 917960601 JFIJMFIPBSIQFR-VIFPVBQESA-N 429.281 4.397 5 20 IIBD CCCN1CCN(c2ccc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc2Cl)CC1 919835702 NPCGHXNCBKTKHK-UHFFFAOYSA-N 432.908 4.041 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1sc2c(c1C(N)=O)CCCCC2 920817092 ORCCEFLZLHAXDB-JTQLQIEISA-N 437.905 4.084 5 20 IIBD COc1cc(/C=C2\C(=O)Nc3cc(Cl)c([N+](=O)[O-])cc32)c(Br)cc1O 921265612 NIFNHCORHOGZBE-MBXJOHMKSA-N 425.622 4.218 5 20 IIBD C[C@@H](C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(F)cc1F 1116163209 FYORZAVFTUKDRR-SECBINFHSA-N 432.301 4.177 5 20 IIBD Cc1ccc2c(c1)S[C@H](C(=O)N(Cc1nnc(-c3cccc([N+](=O)[O-])c3)o1)C(C)C)C2 1119574730 LYVCKJNNWIEZIF-IBGZPJMESA-N 438.509 4.407 5 20 IIBD O=C1Nc2ccccc2[C@@H]1C1CCN(Cc2ccc([N+](=O)[O-])cc2Br)CC1 1255184379 NBKNWHDOMIEFSG-IBGZPJMESA-N 430.302 4.305 5 20 IIBD O=C1N[C@H](c2csc(-c3cccc([N+](=O)[O-])c3)n2)Nc2ccc(Br)cc21 1318566292 KWQSCGJIBITJPU-OAHLLOKOSA-N 431.271 4.335 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CNC2CCN([C@H]3CCCC[C@@H]3O)CC2)o1 1319840230 WOACXYWQMBQWDI-FPOVZHCZSA-N 433.936 4.366 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@@H](Cc3nccn3C)C2)cc1OC 1319989277 ROROOXBQCFFCQD-MSOLQXFVSA-N 430.549 4.217 5 20 IIBD COc1cc(Cl)ccc1-c1nnc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)o1 1322488704 KASCXLKPDVNKDQ-GFCCVEGCSA-N 434.861 4.346 5 20 IIBD CN(C)c1ccc(CCNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 1325365838 QFJXXYHKQPJPSZ-UHFFFAOYSA-N 427.448 4.131 5 20 IIBD COc1ccc(-c2nnc(-c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])o2)cc1OC 1326186370 JEGNVGNBIRONNA-UHFFFAOYSA-N 425.319 4.270 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H]1c1nnc(-c2cc(-c3ccccc3)on2)o1 1345887937 CHCBRHIZEVCFAE-CQSZACIVSA-N 437.437 4.339 5 20 IIBD O=C(NCCc1nnc(-c2cc3c(s2)CCCCCC3)o1)c1ccc([N+](=O)[O-])cc1 1345900644 LVGRKPIFPBVPPX-UHFFFAOYSA-N 426.498 4.338 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc(F)c4[N+](=O)[O-])cc3)CCC2)c[nH]1 1790698594 CFEAPZWMDNAAQB-UHFFFAOYSA-N 436.443 4.432 5 20 IIBD Cc1ccc([C@H](C)C(=O)N2CCC3(CCCN(C(=O)c4ccc([N+](=O)[O-])o4)C3)CC2)cc1 1804653552 FPGFZTFEBWMZIM-SFHVURJKSA-N 439.512 4.145 5 20 IIBD C/C=C(/C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CSc2ccccc2[N+](=O)[O-])n[nH]1 1822313254 MNXAGWZAHQUGKC-FUYANPBUSA-N 443.529 4.069 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CC=CCC2)CC1 1824099463 APTQQHDDGANNOI-FYYLOGMGSA-N 439.556 4.113 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(C)CCC2)CC1 1830730125 QGFYAANTQJESDP-FQEVSTJZSA-N 445.535 4.466 5 20 IIBD Cc1cc(C(=O)N2CC3(CCCN3C(=O)c3cc(Cl)cc([N+](=O)[O-])c3C)C2)ccc1F 1845499897 VTQGNMQCMJJCTQ-UHFFFAOYSA-N 445.878 4.135 5 20 IIBD O=C(/C=C/C1CCCCC1)N1CC2(CCCN2C(=O)CSc2ccccc2[N+](=O)[O-])C1 1846303492 LGEDWVHLSLNMCE-VAWYXSNFSA-N 443.569 4.027 5 20 IIBD Cc1cc(CCCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H]2CCC[C@@H]2C)c([N+](=O)[O-])cc1F 1847713882 DHFOOUKVDHBFQU-MTOHEIAKSA-N 445.535 4.003 5 20 IIBD O=C(COC(=O)CCc1ncc(-c2ccccc2F)o1)Nc1ccc(Cl)c([N+](=O)[O-])c1 12273099 ZDPSIBQKOINIQT-UHFFFAOYSA-N 447.806 4.157 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(Cc2c(F)cccc2Cl)CC1 15485613 KWQDDBYJAYLJMY-AWEZNQCLSA-N 445.882 4.316 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Sc2nc(Cc3ccccc3)c(C)[nH]2)c([N+](=O)[O-])c1 16833354 DFRRCQRVPAAQJB-AWEZNQCLSA-N 426.498 4.345 5 20 IIBD CN(CC(=O)Nc1ccccc1Br)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 18019900 HVMWKXFHSQFTSS-UHFFFAOYSA-N 448.298 4.283 5 20 IIBD CCOc1ccc(NC(=O)CSc2nncn2-c2ccc(C)c(Cl)c2)c([N+](=O)[O-])c1 24708710 IAIMGPLQFCUURN-UHFFFAOYSA-N 447.904 4.267 5 20 IIBD COc1cc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)c([N+](=O)[O-])cc1OC(F)F 27357659 KUGKGWRXSZFGET-HNNXBMFYSA-N 436.411 4.313 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 28416110 NLVASGAPNFCGBX-IBGZPJMESA-N 434.899 4.020 5 20 IIBD CS(=O)(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)c1 29166931 PLVZANFYENPVCK-UHFFFAOYSA-N 443.506 4.370 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 60640256 CPKKSVPAFWSQHC-UHFFFAOYSA-N 440.506 4.334 5 20 IIBD CC(=O)c1cc(Br)ccc1OS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 60949314 PSVCAGAUXLNZOG-UHFFFAOYSA-N 448.678 4.289 5 20 IIBD O=C(NCc1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 62058468 NHRSPHFFAZILIF-UHFFFAOYSA-N 439.855 4.082 5 20 IIBD COc1cccc(CN(C[C@@H]2CCCO2)C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 64824888 TZWJGBXZKUJSAD-KXBFYZLASA-N 448.903 4.232 5 20 IIBD Cn1cc(C(=O)Nc2ccc(OCc3ccccc3)nc2)c(-c2ccc([N+](=O)[O-])cc2)n1 65073996 FTVXBXCRBOAMTL-UHFFFAOYSA-N 429.436 4.222 5 20 IIBD CC(=O)N(c1nc(Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)cs1)c1cccc(C)c1C 71857940 NPYVGFRKYHVWOA-UHFFFAOYSA-N 449.492 4.111 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(NCCc2cccs2)s1 105338888 KJWFRAINQRZDAT-UHFFFAOYSA-N 435.556 4.202 5 20 IIBD CCc1nnc(NC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)s1 115048117 WCDBEYPCQHTTDO-UHFFFAOYSA-N 428.495 4.214 5 20 IIBD O=C(NCc1coc(-c2cccs2)n1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 117173119 BRMJPVVSPCXGOJ-UHFFFAOYSA-N 427.360 4.182 5 20 IIBD O=c1c(Cl)c(N2CCS[C@H](c3ccccc3)C2)cnn1-c1ccc([N+](=O)[O-])cc1 301776963 GXJBCEBZFJUXQX-SFHVURJKSA-N 428.901 4.089 5 20 IIBD COC(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 302968343 QLSIDGTXOZBSGF-IYBDPMFKSA-N 437.496 4.067 5 20 IIBD CC(=O)Nc1ccc2nc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])sc2c1 431018261 FRNPJXVBNJTBEQ-UHFFFAOYSA-N 435.259 4.178 5 20 IIBD COc1cccc(Cc2nnc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)s2)c1 432676331 GNUPGXWKPAXIMF-UHFFFAOYSA-N 449.286 4.061 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCN(c3cccc(O)c3)CC2)cc1 432812829 SDHFZQRRKJSTSC-UHFFFAOYSA-N 449.463 4.064 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 433789955 SCFSCEMYWXORQH-RFAUZJTJSA-N 434.212 4.045 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NC[C@@H]3CCCN(c4ccccc4)C3)cc2)c(C)c1[N+](=O)[O-] 434001352 CDCATCDVCVYBMZ-NRFANRHFSA-N 447.539 4.103 5 20 IIBD O=C(Nc1nc(/C=C\c2ccccc2)cs1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 435869514 XGAPJGOMMXHJDI-VURMDHGXSA-N 448.460 4.127 5 20 IIBD CNC(=O)c1cc(Oc2cccc(Oc3cc(C(F)(F)F)ncc3[N+](=O)[O-])c2)ccn1 436401045 MYWPYNKLNKUDDT-UHFFFAOYSA-N 434.330 4.348 5 20 IIBD CCOc1cc(-c2noc(COc3ccc([N+](=O)[O-])cc3)n2)cc(Br)c1O 436771698 XXLNRCZSKYUAEO-UHFFFAOYSA-N 436.218 4.091 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1(c2c(Cl)cccc2Cl)CC1 440009473 NHHITZLSJNJSFU-UHFFFAOYSA-N 438.267 4.044 5 20 IIBD CC[C@@H](Cc1cccc(Br)c1)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444628624 DHMBNVNYGPQAHF-ZDUSSCGKSA-N 431.290 4.119 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 444631457 LZBXJOIQFHMAPE-GJZGRUSLSA-N 433.493 4.447 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1cccc(OC[C@@H]2CCCO2)c1 445689622 DGUARWZEFHQORJ-KRWDZBQOSA-N 435.274 4.096 5 20 IIBD CC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccccc1OCC(=O)N1CCCC1 446492696 BNIRLQWIAQYZGY-IBGZPJMESA-N 440.500 4.177 5 20 IIBD Cc1cc(NC(=O)CSc2ccc(Br)cc2[N+](=O)[O-])n(C(C)(C)C)n1 447353831 HPBJFJIQOAUCFA-UHFFFAOYSA-N 427.324 4.348 5 20 IIBD C[C@H](c1ccco1)N(C)C(=O)c1cc(C(=O)N(C)[C@H](C)c2ccco2)cc([N+](=O)[O-])c1 460769505 JPXCQBDVBPARMJ-HUUCEWRRSA-N 425.441 4.447 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 461300723 JUNSOPCJDPGTSM-YOEHRIQHSA-N 430.448 4.266 5 20 IIBD Cc1cc(N(C)C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)c(C(F)(F)F)cc1[N+](=O)[O-] 461868897 WAJNDOXVBNQVHZ-IFXJQAMLSA-N 425.455 4.175 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 462498680 FBNKEDOXCTYQCZ-XMSQKQJNSA-N 445.947 4.007 5 20 IIBD O=C(c1ccccc1)c1ccc(NCCCN2C(=O)COc3ccccc32)c([N+](=O)[O-])c1 462886595 ZSYPCNRAJNGPDA-UHFFFAOYSA-N 431.448 4.053 5 20 IIBD CCc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2cccc(S(C)(=O)=O)c2)cc1 464374360 HFOLGRKLPBAHCL-QFIPXVFZSA-N 438.505 4.080 5 20 IIBD CC[C@H](NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1nc(C(F)(F)F)cs1 465264186 HTWRUDKZJCKOIF-NSHDSACASA-N 426.376 4.205 5 20 IIBD C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 467757144 XBXRNGNUNFORNR-JTVBXEMZSA-N 440.490 4.361 5 20 IIBD Cc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 467760952 WYPRNRRHHKNFHM-UHFFFAOYSA-N 439.209 4.485 5 20 IIBD C[C@@H]1c2cc(F)cc(F)c2CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br 468124108 LKTXGLGKKYWPRD-SNVBAGLBSA-N 440.244 4.193 5 20 IIBD C[C@H](c1nc(-c2ccccc2)no1)N1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 473514603 XASJLXWWRALQCW-MRXNPFEDSA-N 430.468 4.076 5 20 IIBD Cc1cc(NC(=O)N[C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)ccc1[N+](=O)[O-] 473778180 JXEPSTXORBYRON-MRXNPFEDSA-N 425.489 4.042 5 20 IIBD Cc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c(O[C@H]2CCOC2)c1 475192533 UFYZNWZXOJVJDO-HNNXBMFYSA-N 439.390 4.411 5 20 IIBD Cc1c(NC(=O)C(=O)N(Cc2cccc(Br)c2)CC2CC2)cccc1[N+](=O)[O-] 475466828 ZXEKKCGMZKHCMG-UHFFFAOYSA-N 446.301 4.043 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(O[C@H](C)c2ncc(-c3ccccc3)o2)c([N+](=O)[O-])c1 477177516 NRAIQFVKNCCZEO-OAHLLOKOSA-N 445.497 4.420 5 20 IIBD O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 479235670 DOWBQEKJUIJKMP-MRXNPFEDSA-N 443.656 4.364 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2[nH]c3ccc(C(=O)OC)cc3c2C1 481801476 SHLNDRUOXULYSP-UHFFFAOYSA-N 439.493 4.173 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 482358065 CPGLKIWKRUKZJU-OAHLLOKOSA-N 433.892 4.370 5 20 IIBD C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)Cc2ccccc2F)c1 483293666 JSXOOJYXTJHVJN-INIZCTEOSA-N 435.455 4.335 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cnnn1-c1c(Cl)cccc1Cl 483303758 BJWVWQUMMWRDHX-UHFFFAOYSA-N 444.181 4.336 5 20 IIBD O=C(NCc1cccc(Cn2cccn2)c1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 485759920 ZGMOGXRJRWTDIO-UHFFFAOYSA-N 442.475 4.349 5 20 IIBD NC(=O)c1ccc(SCC(=O)N2CC3(CCCC3)c3cccc(Cl)c32)c([N+](=O)[O-])c1 486401539 JYZSTVKYWTUBIB-UHFFFAOYSA-N 445.928 4.298 5 20 IIBD Cc1ccc([C@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1[N+](=O)[O-] 488032414 GOSKNEWNJVNUIB-PGRDOPGGSA-N 431.492 4.122 5 20 IIBD COc1c(F)cc(S(=O)(=O)N(Cc2ccco2)c2ccc(C)c(C)c2)cc1[N+](=O)[O-] 488236018 UYSAXGNDDSFIDC-UHFFFAOYSA-N 434.445 4.348 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)cn2)cc1C 488375904 RRHLBAITCLYLIC-UHFFFAOYSA-N 436.472 4.464 5 20 IIBD O=C(NCCCCc1nc(-c2cccnc2)cs1)c1cc([N+](=O)[O-])ccc1OC(F)F 488889852 JEACUUGJNXQTDL-UHFFFAOYSA-N 448.451 4.467 5 20 IIBD Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 489294544 PNZPIJJMNWDWIX-UHFFFAOYSA-N 428.861 4.148 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 494534743 YLTFREGTVGEERX-CQSZACIVSA-N 442.859 4.102 5 20 IIBD COc1cc(F)c([C@@H](C)NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1OC 495182016 FPFINUWMZBENJV-SNVBAGLBSA-N 445.369 4.330 5 20 IIBD COc1ccc(NC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)c2)cn1 498291147 OQOVKNODEHHKRY-UHFFFAOYSA-N 443.419 4.051 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1c2ccccc2CC[C@@H]1n1ccnc1 498470903 FXMKQZAFNRBUOC-PZJWPPBQSA-N 439.903 4.215 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccn(-c2ccc(Br)cc2)n1 498895534 YFCNIGNWUPTGFY-UHFFFAOYSA-N 440.257 4.206 5 20 IIBD COc1cc(C(=O)N(Cc2cccc(Br)c2)C2CC2)c([N+](=O)[O-])cc1OC 499115180 SHWXUTTXGJPAFJ-UHFFFAOYSA-N 435.274 4.179 5 20 IIBD COc1ccc(CCNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])c(Cl)c1OC 500559403 WHFHQHMLSLZBQD-UHFFFAOYSA-N 441.871 4.300 5 20 IIBD O=C(Cc1csc(-c2cccc(Br)c2)n1)NCc1ccccc1[N+](=O)[O-] 500751184 RTTNGXVVSJNETO-UHFFFAOYSA-N 432.299 4.340 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(CC)CC(=O)Nc1cccc(OC)c1 502502412 OYTAIASHEOIYRJ-UHFFFAOYSA-N 431.514 4.206 5 20 IIBD Cc1cccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)c1[N+](=O)[O-] 504882425 NUIQUEYHVPMVGH-IBGZPJMESA-N 431.920 4.139 5 20 IIBD COc1cc(CN2CCO[C@H](c3ccccc3Cl)C2)c([N+](=O)[O-])cc1OC(F)F 507835013 WKCOYQUWWFGVCI-SFHVURJKSA-N 428.819 4.432 5 20 IIBD COc1cc(-c2nc(Cc3cc(F)cc(Br)c3)no2)cc([N+](=O)[O-])c1OC 508630500 FZXUXBRUZUVIPV-UHFFFAOYSA-N 438.209 4.154 5 20 IIBD COc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 509065467 LXKRQEARQGCJAM-UHFFFAOYSA-N 449.179 4.402 5 20 IIBD O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCN(Cc2ccccn2)CC1 509110283 SUXOKNPVBBRTJC-UHFFFAOYSA-N 434.521 4.099 5 20 IIBD CC(C)N1CCC[C@@H](CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 519885907 OYRBIFIANZCCTI-MSOLQXFVSA-N 425.533 4.013 5 20 IIBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H](Cc1ccccc1Cl)c1ccccc1 520125898 NJPPRQZHUANSDP-OAQYLSRUSA-N 437.883 4.078 5 20 IIBD COc1cc(C(=O)N[C@@H]2CCc3ccc(F)cc32)c([N+](=O)[O-])cc1OCc1cscn1 520731163 BOKDUAYDSCYWLP-QGZVFWFLSA-N 443.456 4.195 5 20 IIBD Cc1ccc(C(=O)CCC(=O)CCC(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)s1 523164133 IOYYKMNMJOHEJQ-UHFFFAOYSA-N 440.481 4.306 5 20 IIBD Cc1ccc(NCCCNC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)c([N+](=O)[O-])c1 523511102 UOQBYJIMSRTZDE-UHFFFAOYSA-N 428.876 4.373 5 20 IIBD COc1cc(CCNC(=O)c2ccc(C)c(Oc3ccncc3)c2)c([N+](=O)[O-])cc1OC 524524918 XWNFKORJOMXSLG-UHFFFAOYSA-N 437.452 4.080 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(OCc2ncc(-c3cccc(Br)c3)o2)c1 525110011 RPDGXSLOISIBDV-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD COc1cc(CCNC(=O)C[C@H](C)c2ccccc2C(F)(F)F)c([N+](=O)[O-])cc1OC 525585261 DVZFVJOTUGYDJE-ZDUSSCGKSA-N 440.418 4.483 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1 531495365 YHXSLHULFAMPKQ-GJZGRUSLSA-N 445.541 4.131 5 20 IIBD C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 532378197 QSAGOKXNTDSBIY-GFCCVEGCSA-N 449.298 4.230 5 20 IIBD CCCOc1cc(NC(=O)N2CC[C@H](C3CCOCC3)C2)c([N+](=O)[O-])cc1OCCC 533172742 ABSWMBYABCGBIU-KRWDZBQOSA-N 435.521 4.453 5 20 IIBD COc1ccc(CN[C@H]2CCO[C@@]3(CCSC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 533187263 JLSCPEZWVVQFCS-CVDCTZTESA-N 444.553 4.327 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@@H](C)c3ccc([S@@](C)=O)cc3)cc2[N+](=O)[O-])CC1 533750904 AGHDBOFCONMXOZ-BEIWTESXSA-N 429.542 4.060 5 20 IIBD Cc1cn2c(CN(C)C(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)c(C)nc2s1 534056497 YBVJDSRSMGFRKO-UHFFFAOYSA-N 437.319 4.264 5 20 IIBD CCN(CC)C(=O)c1ccc(NC(=O)COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 534212572 JGRKFMLAIWDAND-UHFFFAOYSA-N 439.390 4.113 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CS(=O)(=O)Cc3ncc(-c4ccccc4)o3)co2)cc1 534794511 AFTPRCUTBQQHED-UHFFFAOYSA-N 425.422 4.020 5 20 IIBD CCOC(=O)c1ccnc(NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] 536500803 CBAHLYVNHZAOGY-CXAGYDPISA-N 436.871 4.064 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 536938282 FQRUECYXXHYAJF-BEFAXECRSA-N 443.258 4.456 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1C(F)(F)F 537341762 JDRFJMIVRFXZIW-UHFFFAOYSA-N 433.180 4.185 5 20 IIBD COc1cccc(Oc2ccc(NC(=O)CNC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)c1 541094303 QRAXLNKCWGKKHT-UHFFFAOYSA-N 435.436 4.073 5 20 IIBD COc1ccc(NC(=O)CN[C@@H](C)[C@H](C)c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 541637245 QOHFPYUEXUISEE-STQMWFEESA-N 425.407 4.343 5 20 IIBD O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 542064623 XDCVWDJNZHCSQC-IBGZPJMESA-N 435.402 4.402 5 20 IIBD C[C@@H](C(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1)c1ccc([N+](=O)[O-])cc1F 542639303 GGBJAQQSKXGDDM-ZBFHGGJFSA-N 429.496 4.409 5 20 IIBD Cc1ccc(NCCCNC(=O)N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 542747538 OBXVQGKVCQAKPH-UGKGYDQZSA-N 444.507 4.406 5 20 IIBD COc1cc(CNC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)c([N+](=O)[O-])cc1O 543242520 SIXQSLMSYWISRM-UHFFFAOYSA-N 440.327 4.370 5 20 IIBD O=C(NCCc1c[nH]c2ccc(Br)cc12)c1c[nH]c2cccc([N+](=O)[O-])c12 543351072 XYLYLXNPETYFMA-UHFFFAOYSA-N 427.258 4.292 5 20 IIBD CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 544487111 RCZFGWBTKTUHMJ-DENIHFKCSA-N 427.476 4.326 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(-c3nc(-c4ccc(C(=O)N(C)C)cc4)no3)cc2[N+](=O)[O-])C1 545044781 PHYGOVJSRZRAEZ-HZPDHXFCSA-N 449.511 4.496 5 20 IIBD O=[N+]([O-])c1ccc2nc(O)cc(-c3nc(Cc4ccc(Br)c(F)c4)no3)c2c1 545145924 QRLJQFVTIKJXGY-UHFFFAOYSA-N 445.204 4.391 5 20 IIBD Cc1ccc(Cc2noc(-c3ccn(-c4c(Cl)cc([N+](=O)[O-])cc4Cl)n3)n2)cn1 545631772 GDPUOSVDONHPHT-UHFFFAOYSA-N 431.239 4.432 5 20 IIBD CC(C)(C(=O)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1)c1ccc([N+](=O)[O-])cc1F 545861260 GQTOESUJMIUKAJ-UHFFFAOYSA-N 437.475 4.203 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 545958135 FVYSVGFXVPXYLD-OAHLLOKOSA-N 431.876 4.138 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)NCc1cnc(-c2ccc(Cl)cc2)s1 551244775 LBVSWVBZQPUNRQ-UHFFFAOYSA-N 432.889 4.380 5 20 IIBD COCC[C@H](NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 551425115 UWIZHNKCDHYNSS-INIZCTEOSA-N 442.299 4.216 5 20 IIBD COCC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccc(Cl)c(Cl)c1 551722782 PIWHQIRQNLXWTL-INIZCTEOSA-N 442.299 4.216 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 553231548 QVHKCGKYTGDTPC-MRXNPFEDSA-N 448.479 4.145 5 20 IIBD CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 556480553 IUYQTTMHPLFLDC-UHFFFAOYSA-N 434.514 4.335 5 20 IIBD COc1ccc(-c2nc(CC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])cs2)cc1OC 557977682 MCNAPUABJMJFPR-UHFFFAOYSA-N 441.509 4.330 5 20 IIBD O=C1CCC(=O)N1c1ccc(-c2nc(COc3ccc4ccccc4c3)no2)cc1[N+](=O)[O-] 564249617 YACHLKJFECBRKI-UHFFFAOYSA-N 444.403 4.030 5 20 IIBD COc1cc(CN2CC[C@@H](N3CCCC3)[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 564312251 AUWIVACGELAKCI-PGRDOPGGSA-N 425.529 4.241 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1Sc1nc2scc(-c3ccccc3)c2c(=O)n1C 572777240 PCNGZHRKNPSVQN-UHFFFAOYSA-N 427.511 4.246 5 20 IIBD Cc1ccc(Sc2ccc(CN3CCOC[C@@H]3[C@@H]3CCC[C@@H]3O)cc2[N+](=O)[O-])cc1 575034875 GMJBZAVUHLLMFC-NNWRFLSQSA-N 428.554 4.416 5 20 IIBD Cc1ccc(NCCCNC(=O)N[C@H]2c3ccccc3CC23CCOCC3)c([N+](=O)[O-])c1 577253832 YTFQYDKQKJEWIS-QFIPXVFZSA-N 438.528 4.099 5 20 IIBD COc1cc(C(=O)N(C)[C@H]2CCCN(C)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 580492151 AFEMMMZTRISNIE-INIZCTEOSA-N 433.892 4.215 5 20 IIBD COc1cc(CCNC(=O)Nc2ccc(Br)c(C)c2)c([N+](=O)[O-])cc1OC 603644365 POAPVODYVDYQQS-UHFFFAOYSA-N 438.278 4.047 5 20 IIBD COc1ccc(OC(F)F)c(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 603761201 CGNRPAVCRSIZKF-UHFFFAOYSA-N 436.289 4.398 5 20 IIBD COc1cc(C(=O)NCc2ccccc2CN2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])cc1OC 603774510 WZDBUGGCEBVQBL-IRXDYDNUSA-N 441.528 4.020 5 20 IIBD CCOc1ccc(CN2CCN(c3cc(C)nc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)cc1 603937470 YASDFHRRVOXMGP-UHFFFAOYSA-N 433.512 4.081 5 20 IIBD Cc1ccc(C(=O)Nc2ccccc2)cc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 603976795 ZZANPWPMNJPIKE-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD Cc1cc(OC(C)C)ccc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 608804567 APFWEBYINZGDCY-NRFANRHFSA-N 425.485 4.242 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)Cc3nc4ccccc4n3C)cc2[N+](=O)[O-])C1 609533080 XMALZSDJRJBOAY-CALCHBBNSA-N 435.528 4.236 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccc(Br)c(F)c1 609724302 ITVPBWCMKYSIGP-UHFFFAOYSA-N 431.645 4.235 5 20 IIBD CCCCC(=O)N1CSC[C@@H]1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609755374 IXOIENKHKYRGIP-LJQANCHMSA-N 429.498 4.417 5 20 IIBD NC(=O)c1csc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)n1 609883792 YMEPPZKRBODVOJ-UHFFFAOYSA-N 434.886 4.207 5 20 IIBD O=[N+]([O-])c1ccc2ncnc(Sc3nnc(CN4CCCCC4)n3-c3ccccc3)c2c1 611703484 TTXQCNDJMKMKNH-UHFFFAOYSA-N 447.524 4.256 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 612281432 RNQLENDUXJGOFH-LBPRGKRZSA-N 441.887 4.261 5 20 IIBD COC(=O)c1cc(C(=O)Oc2ccc(NC(=O)c3ccc(C)cc3)cc2)cc([N+](=O)[O-])c1 726958777 LIFHYIUDURCLGM-UHFFFAOYSA-N 434.404 4.161 5 20 IIBD C[C@@H](NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)c1cccs1 727283437 LYWBMPGODFRUCJ-GFCCVEGCSA-N 444.504 4.433 5 20 IIBD C[C@@H](c1nc(O)c2ccccc2n1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727438345 SXAYNKFBGPUKOK-ZDUSSCGKSA-N 447.417 4.146 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1ccc(CC(=O)Nc2ccccc2F)cc1 728006023 OIFGJGVBSTUYDH-UHFFFAOYSA-N 441.390 4.072 5 20 IIBD Cc1c(C(=O)Oc2ccc(NC(=O)c3ccsc3)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 728885918 DWHFEMVDRVCUEG-UHFFFAOYSA-N 427.394 4.344 5 20 IIBD Cc1c(C(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 730189414 IOYFCPZDNQLLNP-UHFFFAOYSA-N 427.442 4.241 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCc1ccc(OCc2ccccn2)cc1 731978034 JGRVSZMENNPFFE-UHFFFAOYSA-N 449.435 4.177 5 20 IIBD COc1cc(C(=O)N(C)c2ccccc2C(=O)N(C)CCc2ccccc2)ccc1[N+](=O)[O-] 732096755 ZCLKANGFFHRHTO-UHFFFAOYSA-N 447.491 4.195 5 20 IIBD Cn1ccnc1C(=O)c1ccc(Nc2cc(F)c(N3CCCC3)c(F)c2)c([N+](=O)[O-])c1 732568162 QUOQYRHZLKSPFV-UHFFFAOYSA-N 427.411 4.181 5 20 IIBD Cc1ccc(-c2nc(COC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)cs2)o1 733559166 ONSDVGKDOQADSP-ZDUSSCGKSA-N 447.494 4.029 5 20 IIBD COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)COc3ccc([N+](=O)[O-])c(F)c3)s2)cc1 733771877 CGXMPNGVEHRCOL-GFCCVEGCSA-N 445.472 4.431 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)COC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1C 735149766 VPGHVGSZCSDWLQ-OAHLLOKOSA-N 434.876 4.055 5 20 IIBD COc1ccc([C@@H]2[C@H](COC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC(=O)N2C)cc1 735788369 JDMUTVPQFNTETH-HTAPYJJXSA-N 440.496 4.277 5 20 IIBD O=C(/C=C\c1ccc(I)o1)OCc1ccc(Cl)c([N+](=O)[O-])c1 735900174 BHVAOKFEZUPXTB-UTCJRWHESA-N 433.585 4.202 5 20 IIBD CC(=O)Nc1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2-c2cccs2)ccc1C 736323960 BCJJMCBPICPEBK-UHFFFAOYSA-N 432.479 4.358 5 20 IIBD CSc1ccc(O[C@H](C)C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 740996236 RBJKXVPUPUYGOO-NWDGAFQWSA-N 438.889 4.308 5 20 IIBD O=C(Nc1cccc(CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)c1)c1ccccc1 742394804 XLNVGTDQNGIQOT-UHFFFAOYSA-N 432.436 4.416 5 20 IIBD O=C(OCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 742863425 YJSKZPLNBIDBJE-LJQANCHMSA-N 448.475 4.222 5 20 IIBD O=C(COC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 745240573 JCTWIZSHAMGZMJ-NWDGAFQWSA-N 444.312 4.177 5 20 IIBD C[C@H](CC(=O)c1ccccc1F)C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 745486254 IAQJMDKSIWQENJ-VXGBXAGGSA-N 436.823 4.167 5 20 IIBD C[C@@H](OC(=O)CN(C)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1Oc1ccccc1 745619142 UHIBHPIOQBSUOX-QGZVFWFLSA-N 449.463 4.394 5 20 IIBD CC[C@@H](C(=O)N1CCC(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1)c1ccccc1 749229350 UMBKWFMPSNVUJV-GOSISDBHSA-N 429.904 4.163 5 20 IIBD COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 749638801 JVQJIYBEPCTXRF-XXBNENTESA-N 440.521 4.355 5 20 IIBD O=[N+]([O-])c1cccc([C@H](O)CSc2nnc(N3CCCC3)n2-c2cccc(Cl)c2)c1 749667585 ZOFJUJPEZZVFBH-GOSISDBHSA-N 445.932 4.255 5 20 IIBD O=C(CN1CCCCCC1)Nc1ccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1 749912371 FEQJIINWAQKBHJ-UHFFFAOYSA-N 430.892 4.315 5 20 IIBD COCCOc1c(Cl)cccc1NC(=O)c1cc([N+](=O)[O-])ccc1Br 751111633 UCMPQYXZUPEZBO-UHFFFAOYSA-N 429.654 4.288 5 20 IIBD CCC[C@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(N2CCCC2)c1 751244168 MTATVXNAMNOWPS-FAXUNHAKSA-N 436.512 4.132 5 20 IIBD O=C(N[C@@H](C1CCCC1)C(F)(F)F)c1cc([N+](=O)[O-])ccc1I 752473797 MZRIEBAIWOIALT-LBPRGKRZSA-N 442.175 4.050 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ccc(-n3cccc3)nc2)cc1)c1cccc([N+](=O)[O-])c1 753182201 ZXKPIQBZDPMHFO-UHFFFAOYSA-N 428.404 4.252 5 20 IIBD C[C@@H](OC(=O)/C=C/c1cccc(O)c1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 753463441 HOGWMBVBBNCIRZ-MMQHEFTJSA-N 439.449 4.008 5 20 IIBD COC(=O)CC1CCC(OC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 754564005 ZFRWKASKPFEKOP-HJOIGYKYSA-N 441.484 4.442 5 20 IIBD CC[C@@H]1CN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC[C@H]1NC(=O)OC(C)(C)C 757340679 YDSBECQIUXJJNU-HDMKZQKVSA-N 437.562 4.227 5 20 IIBD C[C@H](C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(C(=O)c2ccccc2)c1 761490081 LQSQOPXGRCTTBC-INIZCTEOSA-N 432.432 4.111 5 20 IIBD C[C@H](OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)cc1Cl 764623943 ANTWYNVXGPUYEF-IINYFYTJSA-N 426.853 4.358 5 20 IIBD CC(C)(C)[C@@H]1CN(C(=O)c2c3c(cc([N+](=O)[O-])c2[N+](=O)[O-])OCCO3)c2ccccc21 767229338 KGGFNXWMUJDTRX-CYBMUJFWSA-N 427.413 4.064 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)c1nc(C2CCCCC2)no1 769905198 GAPBNRYOLNTMPI-LLVKDONJSA-N 428.898 4.027 5 20 IIBD CC(=O)c1cccc(OCc2cc(C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)no2)c1 770625043 WZWCBJVRFHSXRO-UHFFFAOYSA-N 443.843 4.290 5 20 IIBD CS[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)C1 772476787 BPQNOVBZVHKKQR-YPMHNXCESA-N 437.568 4.146 5 20 IIBD C[C@@H]1C[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C 773794617 WAHHKZVMMAHHIM-TZMCWYRMSA-N 443.953 4.245 5 20 IIBD C[C@H]1CN(CCOc2ccc(CCNC(=O)c3cccc(Cl)c3[N+](=O)[O-])cc2)C[C@@H]1C 775504259 AADOLNYCQFISDX-IRXDYDNUSA-N 445.947 4.187 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCCSCc1ccnc(Cl)c1 777449958 RMEWSUKUSWFYIH-UHFFFAOYSA-N 430.313 4.115 5 20 IIBD COc1ccc([C@H](CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)N2CCCCC2)cc1 777889575 XBNFIDSYTGUKJJ-FQEVSTJZSA-N 433.455 4.039 5 20 IIBD O=C(NCc1ccnc(OCc2ccccc2)c1)c1cccc([N+](=O)[O-])c1Br 782167944 UYEXHBMWLIGJTR-UHFFFAOYSA-N 442.269 4.261 5 20 IIBD CCOC(=O)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Br)c2ccccc21 782748200 OOOJLTGFYTWRAX-CQSZACIVSA-N 433.258 4.055 5 20 IIBD C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccccc1NC(=O)c1csc([N+](=O)[O-])c1 783592521 IGJVRRXIXOOQAF-SNVBAGLBSA-N 446.466 4.369 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])c(F)c1)c1cn(Cc2ccccc2)nc1-c1cccnc1 785547624 NICAIRRQJAGNMY-UHFFFAOYSA-N 432.411 4.398 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)OCc1csc(-c2ccsc2)n1 786790068 YQHJMMSBSNPPPB-UHFFFAOYSA-N 427.463 4.450 5 20 IIBD CC[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H](O)c1c(F)cccc1F 787341033 KIHDRVPRCJOGKH-RDJZCZTQSA-N 447.360 4.203 5 20 IIBD O=C(NC[C@H](O)c1ccc(Cl)c(F)c1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 787479583 GRVQYOVCGQFERI-NRFANRHFSA-N 444.846 4.430 5 20 IIBD CC(C)(C)OC(=O)NC(C)(C)c1noc(Cn2c3ccccc3c(=O)c3ccccc32)n1 789769353 YIRVFNCKIUCTLH-UHFFFAOYSA-N 434.496 4.346 5 20 IIBD Cc1cc(-n2c(C)cc(C(=O)COC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])c2C)no1 790744265 AGDZZAHVZOZCPN-UHFFFAOYSA-N 449.822 4.060 5 20 IIBD O=C(Cc1c[nH]c2cc(F)ccc12)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791171572 FMONFOJTJOGXFP-UHFFFAOYSA-N 432.249 4.105 5 20 IIBD CCOc1ccc(-c2nc(C(=O)OCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cs2)cc1 791708478 YDWYEPSGBOYGIB-UHFFFAOYSA-N 429.410 4.382 5 20 IIBD C[C@H](c1nc(Cc2ccccc2)no1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 792899250 QNBFUNMRFBOUPZ-CYBMUJFWSA-N 443.301 4.450 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CCCOC(C)(C)C)cc2)cc1[N+](=O)[O-] 794763581 HGCQANGRAVXQFA-UHFFFAOYSA-N 449.529 4.238 5 20 IIBD O=C(Nc1ccccc1C(=O)Nc1ccn2ccnc2c1)c1ccc([N+](=O)[O-])cc1Cl 798263006 QQLXFODAWATDGX-UHFFFAOYSA-N 435.827 4.401 5 20 IIBD O=C(OCc1cnc(Cl)cn1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 798578732 GKTUJKOUDQSJJL-UHFFFAOYSA-N 444.797 4.017 5 20 IIBD CC[C@@](C)(NS(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1C)c1nc(C)cs1 799775151 OTXFHMHACGEPLN-OAHLLOKOSA-N 448.364 4.034 5 20 IIBD COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 800564552 JTBWDIOIUCFQQP-UHFFFAOYSA-N 442.435 4.135 5 20 IIBD Nc1c(OCc2cccc(C(=O)NCc3ccco3)c2)cc(Br)cc1[N+](=O)[O-] 809375584 NJZHCENOECVBIR-UHFFFAOYSA-N 446.257 4.042 5 20 IIBD CN(CCc1cccc(Br)c1)C(=O)c1cc([N+](=O)[O-])ccc1Br 813319639 BSTQPWQFKPTZNG-UHFFFAOYSA-N 442.107 4.435 5 20 IIBD COCCSc1ccc([C@H](C)NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])cc1 815009661 JFXXODSTVSBWQR-NSHDSACASA-N 448.925 4.165 5 20 IIBD C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC=C(c2c[nH]c3ncccc23)CC1 840405646 RWTYUPMNTBIUDY-ZDUSSCGKSA-N 425.876 4.241 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1nc(-c2ccccc2)n2c1CCCCC2 914916121 LFUMWQVOLDOQCD-UHFFFAOYSA-N 448.479 4.289 5 20 IIBD Cc1nccn1CCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 915670634 BKMQCWDDVNXXKX-UHFFFAOYSA-N 434.905 4.039 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)cc2F)C[C@@H](C)O1 916414266 ZKQCQUPNNVSKOX-QLFBSQMISA-N 433.505 4.467 5 20 IIBD COc1cc(/C=C2/N=C(c3ccoc3C)OC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 917417625 WNIRIHUKRCUVIH-YBFXNURJSA-N 434.404 4.428 5 20 IIBD CC(C)c1nccn1Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 919846664 VRMQDXDWHIMBLA-UHFFFAOYSA-N 449.511 4.052 5 20 IIBD CC(C)N(Cc1cccc(F)c1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 919931045 BOVCUWQAOUYSOQ-UHFFFAOYSA-N 431.283 4.096 5 20 IIBD Cc1cc(C(=O)OCC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc([N+](=O)[O-])c1 920904410 FFYMNLKSNMWSKN-UHFFFAOYSA-N 436.386 4.270 5 20 IIBD CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NC)CC1 1319113004 PPSXHJMJIVXOQS-FQEVSTJZSA-N 439.512 4.226 5 20 IIBD CC(C)(C)OC(=O)N1CCc2c(NC(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)cccc21 1319212837 RPIZDRWUPWRKQL-UHFFFAOYSA-N 438.484 4.483 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2ccnc(Cc3ccccc3)n2)cc1[N+](=O)[O-] 1320559216 BGSCCUVVKTYDND-UHFFFAOYSA-N 427.258 4.299 5 20 IIBD COc1ccc(Cc2nc3ccccc3n2C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1OC 1322872427 QBAOTTLGEWJVNK-NRFANRHFSA-N 433.464 4.286 5 20 IIBD CC(C)CC(=O)NC1(c2ccc(NC(=O)Cc3cc([N+](=O)[O-])ccc3F)cc2)CCC1 1786672942 UTPOICHRYDGJGP-UHFFFAOYSA-N 427.476 4.457 5 20 IIBD Cc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(C)CCC3)n[nH]2)cc1[N+](=O)[O-] 1814403716 NQCJMWHJOPRTCO-GOSISDBHSA-N 439.516 4.051 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1)c1ccc2occc2c1 1818702927 QIECMJFDKMEIIE-MRXNPFEDSA-N 449.423 4.277 5 20 IIBD Cc1ccccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)[nH]n1 1820470685 WHMLHIDZTBJCRQ-NRFANRHFSA-N 447.495 4.175 5 20 IIBD O=C(C1CCC1)N1CCC([C@H]2CCCCN2C(=O)CSc2ccccc2[N+](=O)[O-])CC1 1831775515 AAVSUTRKSCEPCA-LJQANCHMSA-N 445.585 4.107 5 20 IIBD Cc1cc2ccccc2n1CC(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 10621950 BQGPFYZPVCYBGG-ZDUSSCGKSA-N 449.385 4.447 5 20 IIBD COc1ccc(OC)c(-c2csc(NC(=O)CCNc3ccccc3[N+](=O)[O-])n2)c1 10894773 YGPWUGOBFQKGLF-UHFFFAOYSA-N 428.470 4.176 5 20 IIBD C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 12670611 RAJBMZSBPJQJSJ-IAGOWNOFSA-N 426.469 4.120 5 20 IIBD COc1cccc(-c2nc(CN3CCN(c4ccccc4[N+](=O)[O-])CC3)cs2)c1OC 15443238 ZMLRBYZZLCTEOI-UHFFFAOYSA-N 440.525 4.058 5 20 IIBD CCNc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1[N+](=O)[O-] 15648921 TYMFEPWXKYOMNA-LBPRGKRZSA-N 435.864 4.181 5 20 IIBD CCOc1cc(C(=O)OCC(=O)Nc2c(C)cccc2C(C)C)c([N+](=O)[O-])cc1OC 19472866 UCCYZWJKKPCBRU-UHFFFAOYSA-N 430.457 4.229 5 20 IIBD C[C@H](Sc1nc(COc2ccc(Cl)cc2)n[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 21691812 NIZUVMMADJSWCL-NSHDSACASA-N 433.877 4.065 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2ccccc2C(=O)c2ccccc2)cccc1[N+](=O)[O-] 22463444 GDARDKRHUXTPOI-INIZCTEOSA-N 432.432 4.318 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 28806876 NSXISKFAJHTNDY-JTQLQIEISA-N 433.877 4.161 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)cc1[N+](=O)[O-] 33213937 SXDSEBZRIYRFSL-UHFFFAOYSA-N 436.453 4.145 5 20 IIBD Cc1occc1-c1nnc(SCc2ccc(C(N)=O)cc2[N+](=O)[O-])n1-c1ccccc1 45555803 WGTVIEFGJCIXSO-UHFFFAOYSA-N 435.465 4.135 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCC2(c3ccccc3OC)CCCC2)cc1OC 59982057 FDVQMNRITSWXDK-UHFFFAOYSA-N 428.485 4.253 5 20 IIBD O=C(NCc1ccc(NC(=O)c2ccco2)cc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 64906025 KYYDQXPSRUFBKL-UHFFFAOYSA-N 448.460 4.494 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-])c1ccccn1 108751728 BSUWRYQICIBQMU-GAJHUEQPSA-N 433.512 4.196 5 20 IIBD C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)c2cc(Cl)ccc2S1 109032516 IFAXFRLHCJZJGD-LLVKDONJSA-N 440.930 4.183 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N(C)Cc2ccccc2C(F)(F)F)ccc1[N+](=O)[O-] 110364792 DEEWJPQVJXYXGH-IBGZPJMESA-N 449.429 4.185 5 20 IIBD CCCC(=O)Nc1nc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2s1 117334069 ISYMJEZPGIFLEV-UHFFFAOYSA-N 434.499 4.052 5 20 IIBD O=C(O)CCCN(Cc1ccccc1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 237954787 OHDRDAYWVYFVAN-UHFFFAOYSA-N 425.466 4.226 5 20 IIBD C[C@H](Sc1nnc(NCC(F)(F)F)s1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 303031229 XHVCVPGIUDRIRU-ZETCQYMHSA-N 432.409 4.324 5 20 IIBD O=C(NCCc1ccccc1OC(F)F)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 426215638 KBAXLKQDKWQXDT-UHFFFAOYSA-N 433.333 4.257 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCCc1c[nH]c2cccc(Br)c12 426835247 IMQUYQVEJPOJBZ-UHFFFAOYSA-N 436.693 4.393 5 20 IIBD C[C@@](CO)(CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])Cc1ccccc1 427443169 KFLLBSBLYMSILI-VWLOTQADSA-N 434.492 4.145 5 20 IIBD Cc1ccc(NC(=O)C(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1[N+](=O)[O-] 429796996 RIBLCWNSQPTFBM-GOSISDBHSA-N 427.507 4.139 5 20 IIBD O=C(NCC(=O)N1CCCC[C@@H]1c1ccc(F)cc1F)c1c(Cl)cccc1[N+](=O)[O-] 433338715 IGAATGPWCVOESZ-MRXNPFEDSA-N 437.830 4.010 5 20 IIBD Cc1noc(C)c1[C@H](C)CNc1ccc([N+](=O)[O-])c(NC[C@H](C)c2c(C)noc2C)n1 433774345 NXQWQPUHYNDBLD-NEPJUHHUSA-N 428.493 4.631 5 20 IIBD COc1ccc(CC[C@@H]2CCCCN2C(=O)c2cccc(OC)c2[N+](=O)[O-])cc1OC 435733643 UOEPFSNLVQFPGL-KRWDZBQOSA-N 428.485 4.248 5 20 IIBD Cc1cccc(N2CCN(C(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)CC2)c1 435935818 KLHCGWDWNJZODK-UHFFFAOYSA-N 433.458 4.230 5 20 IIBD O=C(NCCc1ccn(-c2ccccc2)n1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436358190 FQMAQGIACPLMCA-UHFFFAOYSA-N 444.441 4.118 5 20 IIBD CCCCOc1ccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c(C)c1 437237282 PPOLZTRNVQCIPK-UHFFFAOYSA-N 437.399 4.261 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1 437403288 FWMLUPFSMMBSEN-KRWDZBQOSA-N 445.476 4.209 5 20 IIBD O=C(c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2)N1CC[C@@H](CO)C1 438582603 LBGBTNNGEFMQFU-XWALVKJWSA-N 443.503 4.474 5 20 IIBD COc1ccc2c(c1)CCN(C(=O)c1cc(F)cc3c(=O)c4cccc(F)c4[nH]c13)CC2 440046828 ZPEFGXVBVAKFAP-UHFFFAOYSA-N 434.442 4.209 5 20 IIBD Cc1nc2sccn2c1CN(C)C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444104460 KZTRZICICYTBRF-UHFFFAOYSA-N 438.459 4.249 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 445266358 UOXXWMZHJQBLHY-UHFFFAOYSA-N 440.500 4.124 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc([C@H](C)c3c(C)nn(CC(F)(F)F)c3C)n2)c1 445573055 UIWYNFZEWHUQAC-SNVBAGLBSA-N 439.394 4.105 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(-c2noc(C(F)(F)F)n2)c1 447261918 BKPQWARHBOGXIR-UHFFFAOYSA-N 442.375 4.027 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(N2C(=O)NC(C)(C)C2=O)c1 447830235 VCFGZPPRLOOEDE-UHFFFAOYSA-N 442.497 4.184 5 20 IIBD COc1ccc([C@@H](Cc2ccccc2)NC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 460661310 AGABAGJZCFVYRR-OAQYLSRUSA-N 445.479 4.263 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3C[C@H]4CC[C@H]3c3ccccc34)n2C[C@@H]2CCOC2)c1 461573340 SHGMQPNVCGLIPS-CECAUBDESA-N 431.496 4.329 5 20 IIBD COc1ccccc1[C@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 461582831 JYEQNMQEUVLQDY-DYESRHJHSA-N 449.511 4.240 5 20 IIBD COc1ccc(C[C@@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])c2ccccc2)cc1OC 463566036 OCPRTYUJZAHUCH-HXUWFJFHSA-N 449.507 4.148 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 464052994 QQWUIRGVCSFMRZ-QGZVFWFLSA-N 441.875 4.044 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1Cc2ccccc2[C@@H](c2ccccc2)C1 465035491 PJXMMGMECBXKQP-OAQYLSRUSA-N 430.460 4.083 5 20 IIBD CCc1c(NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)cnn1-c1ccccc1 468192193 MDLAJDBTWIYMBQ-UHFFFAOYSA-N 426.498 4.223 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CCCSc3ccc(F)cc32)cc1[N+](=O)[O-] 471236570 YDJLJQWPCNQXGR-UHFFFAOYSA-N 445.501 4.156 5 20 IIBD NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 471406024 IQKMHKIPOFBMQJ-NRXGSXMXSA-N 445.928 4.125 5 20 IIBD COc1cc(CCNC(=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])cc1OC 471675877 JLEYQQVQRBYASS-NSHDSACASA-N 427.284 4.381 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)NCC3(O)CCN(C(C)C)CC3)cc2[N+](=O)[O-])cc1 472426712 ARVGECQHZQNODP-UHFFFAOYSA-N 443.569 4.020 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 475072808 ZFAXATXMRLZLMZ-CQSZACIVSA-N 433.295 4.321 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1nc(-c2cccc(Cl)c2)cs1 476940529 SYTZZTPTRNMEOR-LLVKDONJSA-N 430.873 4.129 5 20 IIBD COc1ccc(-n2c(SCc3c(F)cccc3[N+](=O)[O-])nnc2-c2cnccn2)cc1 481397625 FHVUHURSHZTYKS-UHFFFAOYSA-N 438.444 4.073 5 20 IIBD COc1ccc([C@@H]2CCCN2C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])c(OC)c1 481932489 QSFWDYHIEFHXBB-INIZCTEOSA-N 432.498 4.320 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]1c1cccc2c1OCCO2 488076324 QNWWVSFMOJDXKL-QGZVFWFLSA-N 431.876 4.109 5 20 IIBD COC(=O)c1cc(C(=O)N2CCN(Cc3ccccc3)c3ccccc32)cc([N+](=O)[O-])c1 490906692 JCYNFRGSBKGTSB-UHFFFAOYSA-N 431.448 4.048 5 20 IIBD COc1c(S(=O)(=O)N(c2ccccc2)C(C)C)cc(Br)c(C)c1[N+](=O)[O-] 493357931 HJKBZYAFLGSFLT-UHFFFAOYSA-N 443.319 4.278 5 20 IIBD COc1ccc(Br)cc1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 493623969 NMRQRBJHEVBVSN-JTQLQIEISA-N 443.681 4.103 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn23)C1 495127006 HNWJZVUGJMXHIO-ZDUSSCGKSA-N 448.405 4.376 5 20 IIBD COC(=O)[C@H]1C[C@H](OC)CCN1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 497245396 DZVLHRLEGWVMIC-CRAIPNDOSA-N 434.876 4.193 5 20 IIBD COc1cc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)c([N+](=O)[O-])cc1OC(F)F 498488917 YRBNDXVLDVCQSX-UHFFFAOYSA-N 449.410 4.002 5 20 IIBD CN(C(=O)c1cccc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c1)c1ccccc1 498726710 ANYGLCFJKYHTJT-UHFFFAOYSA-N 428.448 4.465 5 20 IIBD CCc1cc(N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 498855832 DWIAQPIULJRQML-INIZCTEOSA-N 429.484 4.392 5 20 IIBD CCOc1cc(C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)c([N+](=O)[O-])cc1OC 499604600 NBIDDUMINQUGQU-UHFFFAOYSA-N 425.397 4.100 5 20 IIBD O=C(NCc1ccnc(OC2CCOCC2)c1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 499877079 OBGAWIZWOUHNCS-UHFFFAOYSA-N 448.479 4.221 5 20 IIBD CN(CC(C)(C)CN1CCOCC1)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 501103273 GVIOBBWBSNMBSP-UHFFFAOYSA-N 443.569 4.176 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(F)cc2OCC(F)(F)F)c(Cl)c1 505294504 VVUXNDUEUNTMEP-UHFFFAOYSA-N 428.747 4.129 5 20 IIBD CCCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C1CCN(C(=O)c2ccccc2)CC1 505309058 XUPKNPSJICDRCR-UHFFFAOYSA-N 435.480 4.498 5 20 IIBD C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 507984852 MSPKDLCJEIEDKF-AWEZNQCLSA-N 437.418 4.411 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 509273129 YBRSAANEJVDOFL-GOSISDBHSA-N 435.933 4.255 5 20 IIBD COC(=O)CCN(CC(C)C)C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 510133680 NYXQPWWYTMJJSI-UHFFFAOYSA-N 437.543 4.172 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 510144430 HGJZAILFIPSZDK-QGZVFWFLSA-N 432.889 4.251 5 20 IIBD Cc1cccc([C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C(F)(F)F)c1 510481448 MKZSOJJSZHQKEP-INIZCTEOSA-N 446.223 4.497 5 20 IIBD C[C@H](Nc1cccc(COc2ccc3c(c2)OCO3)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 515717154 CAXDOZCMSSNHBY-HNNXBMFYSA-N 435.436 4.342 5 20 IIBD Cc1c(NC(=O)C(=O)N(C)CCCCCc2cc(-c3ccccc3)n[nH]2)cccc1[N+](=O)[O-] 516484753 BXTOWNVJCHXHLJ-UHFFFAOYSA-N 449.511 4.103 5 20 IIBD O=C(NCc1cccc(NC(=O)c2ccccn2)c1)Nc1ccc([N+](=O)[O-])cc1Cl 518525160 IGNFDYCXMBWVPN-UHFFFAOYSA-N 425.832 4.217 5 20 IIBD COCCN(C(=O)CO[C@@H]1CCC[C@@H](C)C1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 522157538 GAZHRUJMIKMXAC-CRAIPNDOSA-N 433.530 4.293 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c2ccccc2NC1=O 525148738 KNBLTIWHHXHFJS-HZPDHXFCSA-N 445.479 4.398 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)N1CC[C@@H](CN2CCCC2)C1 525273952 PJEAGMRJYIPROG-HTAPYJJXSA-N 442.947 4.346 5 20 IIBD C[C@H]1CN(c2ccc(NCc3csc(-c4cccc([N+](=O)[O-])c4)n3)cn2)C[C@@H](C)O1 527240330 UBOZTWMGPYUFOD-GASCZTMLSA-N 425.514 4.339 5 20 IIBD CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 531179210 QWFJFIAIQRHEDA-AHLOJKHESA-N 429.542 4.017 5 20 IIBD COc1cc(C(=O)N[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)ccc1[N+](=O)[O-] 533244596 GFMJLRZOSZTDEK-LJQANCHMSA-N 448.401 4.439 5 20 IIBD Cc1ccc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)cc1NC(=O)c1ccccc1F 534745466 OFROKQCRWRQLRR-UHFFFAOYSA-N 433.399 4.423 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 537244536 QRFYLRKBGHOIBU-CJFMBICVSA-N 434.442 4.079 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H]1CCN(c2ccc(Cl)cc2)C1 538439604 RSXGPSBECOSASP-SFHVURJKSA-N 431.923 4.203 5 20 IIBD CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)c1 539995698 IFJXBACCDOPWIL-UHFFFAOYSA-N 438.527 4.094 5 20 IIBD C[C@H]1Oc2ccc(C(=O)C3CCN(Cc4ccc([N+](=O)[O-])cc4Cl)CC3)cc2NC1=O 541071022 QACAVTXJSNWZHT-CYBMUJFWSA-N 443.887 4.063 5 20 IIBD CN(Cc1cccc(NC(=O)CSc2ccccc2[N+](=O)[O-])c1)Cc1cscn1 541283536 AVMIIBFBMSKAQJ-UHFFFAOYSA-N 428.539 4.414 5 20 IIBD CCC(C)(C)OCc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 542564726 XJEIJFQSKOZQJA-UHFFFAOYSA-N 427.501 4.389 5 20 IIBD COc1ccc(NC(=O)C(=O)NCC2(Sc3ccc(C)cc3)CCCC2)cc1[N+](=O)[O-] 543920752 JWZFGAYZNJVABN-UHFFFAOYSA-N 443.525 4.072 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 543980172 LKQHRDLLWBVKTK-FQEVSTJZSA-N 440.887 4.164 5 20 IIBD Cc1sc2nc(Cc3noc(-c4ccc(NC5CC5)c([N+](=O)[O-])c4)n3)nc(O)c2c1C 545535563 WBPRZACFDXQMGW-UHFFFAOYSA-N 438.469 4.137 5 20 IIBD COc1cc(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)sc1Br 546383189 ODMIOLSIHFQBTO-UHFFFAOYSA-N 425.264 4.132 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(-c2nc(-c3ccc(OCC(F)F)nc3)no2)c1 547259865 JOUXKCAERSAMQR-UHFFFAOYSA-N 427.161 4.113 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)Cc1nc(-c2cccs2)no1 552579456 KKKNTIQWLOPCCC-UHFFFAOYSA-N 437.275 4.049 5 20 IIBD CN(CC(=O)NC(c1ccccc1)c1ccccc1)C(=O)c1c(Cl)cccc1[N+](=O)[O-] 553917520 JIDRKPHKIXZRHU-UHFFFAOYSA-N 437.883 4.226 5 20 IIBD CCCOc1cc(NC(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@H]4OC)c([N+](=O)[O-])cc1OCCC 554359427 NNLZCLVPUXHCBL-UBTJXIBCSA-N 433.505 4.060 5 20 IIBD CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)C)C1 555375004 FIQWFIJNJSSSKV-PKOBYXMFSA-N 442.564 4.031 5 20 IIBD COc1cc(CN2CCC[C@@H]3CN(C)CC[C@@H]32)ccc1OCc1ccc([N+](=O)[O-])cc1 570485853 LGDHDAUZUWCCQO-IRLDBZIGSA-N 425.529 4.099 5 20 IIBD C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 572623564 LIUZYFRIXVTIIA-PIGZYNQJSA-N 434.374 4.092 5 20 IIBD COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 576389973 KAAQDGAPXAROKE-ZDUSSCGKSA-N 435.864 4.088 5 20 IIBD Cc1ccc(-c2noc([C@H](C)NC(=O)N(C)CCc3ccccc3[N+](=O)[O-])n2)cc1F 581624809 AXQSSPREXVGKKU-AWEZNQCLSA-N 427.436 4.037 5 20 IIBD C[C@@H](Nc1ncnc2sc([N+](=O)[O-])cc12)c1cc2c(cc1Br)OCCO2 587472989 BFMKBZJCCHCPNF-MRVPVSSYSA-N 437.275 4.306 5 20 IIBD COC(=O)CCNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2 590884315 QYRDHDGBQXPTCI-ICFOKQHNSA-N 445.475 4.313 5 20 IIBD O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 603616954 LPSFWMZQKKXVNV-UHFFFAOYSA-N 433.449 4.091 5 20 IIBD Cc1nc(-c2ccc([C@H](C)NC(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2)cs1 603717984 NVICTDGFLQHIEM-NSHDSACASA-N 444.900 4.496 5 20 IIBD CC[C@H](C)C(=O)Nc1cccc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 604442638 MNIZJUGADJBUBN-KBPBESRZSA-N 433.892 4.317 5 20 IIBD O=C(COCc1nc2ccccc2s1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 604480338 HOKMVHPLWLSMAM-UHFFFAOYSA-N 426.479 4.483 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ncc(Cc2cc(F)cc(F)c2)s1 608927997 WTSDAINVJLTOIK-UHFFFAOYSA-N 439.465 4.284 5 20 IIBD Cc1nn(C)c(Oc2cccnc2)c1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 608961942 PZGHZPCDDNQREM-UHFFFAOYSA-N 436.453 4.200 5 20 IIBD COc1ccc(C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)cc1[N+](=O)[O-] 609309603 HDMBJQKFEGNGJL-KRWDZBQOSA-N 429.231 4.263 5 20 IIBD COc1c(Cl)cc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1Cl 609503120 GQQSEIXCESWVRS-GFCCVEGCSA-N 444.296 4.215 5 20 IIBD CCN(CC)C(=O)[C@@H](SCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccccc1 609770726 LSFCDNGJOZVBHX-FQEVSTJZSA-N 443.525 4.236 5 20 IIBD O=C(c1ccc(Cl)cn1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 609855496 ULCVRPBJPLNKBL-UHFFFAOYSA-N 442.928 4.330 5 20 IIBD Cc1ccc(NCCCNC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)c([N+](=O)[O-])c1 610052498 FUMPCXQMBJVGHR-UHFFFAOYSA-N 447.417 4.340 5 20 IIBD CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccc([N+](=O)[O-])cc1Br 610060592 BLXKWQJFHJCGNU-UHFFFAOYSA-N 443.301 4.452 5 20 IIBD CCCC(=O)Nc1ccc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 611904472 NJRJCJHIHCGVBM-UHFFFAOYSA-N 427.504 4.210 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1Cc2cccc(Br)c2C1 613689191 AMGJYBCSICQVQQ-UHFFFAOYSA-N 426.064 4.276 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1Cc2cccc(Br)c2C1 613689796 ZRFHWZPIIFUPSS-UHFFFAOYSA-N 437.315 4.252 5 20 IIBD Cc1ccc(NC(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cn1 615932583 NKVOBBHTXBVPLH-UHFFFAOYSA-N 441.469 4.051 5 20 IIBD CN(C)C[C@@H]1CN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c2ccccc2O1 618676845 FESUVFSMNNAIEB-HXUWFJFHSA-N 447.491 4.143 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(-c2ccc(Cl)s2)cn1 619507860 JRBQAVXOGGOOPT-UHFFFAOYSA-N 425.875 4.181 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCN[C@H](c2ccccc2Cl)C1 619777934 INIGOUURXSKMBE-KRWDZBQOSA-N 428.901 4.158 5 20 IIBD O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 681972041 WPRACVKXLVJOHC-HNNXBMFYSA-N 433.458 4.216 5 20 IIBD CCCN(CC)c1ccc(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cn1 725968187 QIXVFRRLPAQBMR-AWEZNQCLSA-N 425.445 4.194 5 20 IIBD CC(C)[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)N1C[C@@H](C)C[C@@H](C)C1 725985397 IAKAQAZALHTGAU-IIYDPXPESA-N 441.322 4.043 5 20 IIBD C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 726300154 MAQUGEDVAPNYRI-SECBINFHSA-N 430.675 4.241 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)C1CCC(NC(=O)CC2CCCC2)CC1 726323693 OGKDYZKNEZUQSB-UHFFFAOYSA-N 432.517 4.292 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 727385004 WASXRFVFRVXEJM-QFBILLFUSA-N 434.537 4.081 5 20 IIBD Cc1occc1-c1cc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)n(CCO)n1 727385714 IFLZNSQLPCGKMC-UHFFFAOYSA-N 447.451 4.348 5 20 IIBD C[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccc(C(F)(F)F)cc1 728322161 MYBUNOPITMKZSI-WCQYABFASA-N 440.349 4.410 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 729112431 DDGDDPYSSBKBPH-QGZVFWFLSA-N 444.459 4.117 5 20 IIBD O=C(CC1CCCC1)N1CCCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 730807007 WKVRJCFHAIUWKM-UHFFFAOYSA-N 444.410 4.141 5 20 IIBD O=C(OCc1c(F)cccc1[N+](=O)[O-])c1cccc(S(=O)(=O)Cc2ccccc2)c1 730860959 RTAJWZHYVIVTGW-UHFFFAOYSA-N 429.425 4.065 5 20 IIBD O=C(NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1C[C@@H]1c1cccc2ccccc12 730922874 MXBSRZCXTRDSJN-HZPDHXFCSA-N 430.869 4.010 5 20 IIBD CC(C)(C(=O)OCc1nnc(-c2ccc(Br)cc2)o1)c1ccc([N+](=O)[O-])cc1 740392058 RGFFLLJBKTUNRQ-UHFFFAOYSA-N 446.257 4.428 5 20 IIBD Cc1ccc(NCCCNC(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)cc2)c([N+](=O)[O-])c1 740443276 DRNNGIGTWUEHHN-HDICACEKSA-N 441.532 4.141 5 20 IIBD C[C@@H]1CN(c2ccc(NC(=O)NCCCCc3ccc([N+](=O)[O-])cc3)cc2)C[C@@H](C)O1 740443287 DWRPGBOAMDEFFX-QZTJIDSGSA-N 426.517 4.353 5 20 IIBD CCN(CC)[C@@H](C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 744995227 CQTLXPRSMDFWCR-IFXJQAMLSA-N 433.892 4.202 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 746253977 KYLOTZVIVMOPRM-KNQAVFIVSA-N 427.476 4.062 5 20 IIBD C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H](O)c1c(F)cccc1Cl 748402751 YGEKYOUIIYAQLO-QGHHPUGFSA-N 435.864 4.363 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 748528601 DLZNBFMBSUMVAV-RBUKOAKNSA-N 449.573 4.468 5 20 IIBD COc1c([N+](=O)[O-])cc(NCCc2cc(F)cc(F)c2)c([N+](=O)[O-])c1Br 748793638 KRRKBSOXQABRMA-UHFFFAOYSA-N 432.177 4.207 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CC2(CCCC2)c2c(F)cccc21 749150147 JFWBJCJEDKUTJJ-UHFFFAOYSA-N 425.460 4.043 5 20 IIBD C[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)N(C)c1ccccc1 749422053 NEXKQYOYJXMOPM-LLVKDONJSA-N 426.698 4.265 5 20 IIBD COc1cc(CN2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC(F)F 749511331 ODOXQRQZEUODOB-FUHWJXTLSA-N 440.418 4.432 5 20 IIBD CC(C)[C@@H](OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)C(=O)N1CCCC[C@@H]1C 751690220 HLZGKDNYZWNJEF-MEDUHNTESA-N 445.285 4.079 5 20 IIBD COc1ccc(OCCOC(=O)c2cc(C)nc(-c3ccc(Cl)cc3)n2)c([N+](=O)[O-])c1 751856423 PPOSQCFRROPSDF-UHFFFAOYSA-N 443.843 4.258 5 20 IIBD O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N1CCCc2c1cccc2[N+](=O)[O-] 754404664 WXKNTSDYWITCNX-UHFFFAOYSA-N 446.488 4.013 5 20 IIBD CCC1(CC)CCN(C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 755554312 NDLRRZMCGJPGAR-UHFFFAOYSA-N 432.498 4.015 5 20 IIBD O=C(N[C@H](CO)C[C@H](O)c1ccccc1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 755609905 FNPZKAFOAXINKB-RXVVDRJESA-N 444.553 4.092 5 20 IIBD O=C(NCC1(c2cccc(F)c2F)CCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 756261552 BLTKVSMEFXLJGC-UHFFFAOYSA-N 437.830 4.093 5 20 IIBD O=C(OCc1noc(-c2cccc(Cl)c2)n1)c1ccc([N+](=O)[O-])cc1Br 756421254 OQMGCPUVOAABKR-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD Cc1nc(COC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)oc1-c1ccc(Cl)cc1 757022814 WGHWUFBZZRWXEQ-UHFFFAOYSA-N 443.843 4.075 5 20 IIBD CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccc(C(F)(F)F)s2)NC(=S)N1 758053951 FRNOZIOYVOIEQS-AWEZNQCLSA-N 442.444 4.107 5 20 IIBD Cc1cc(F)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1[N+](=O)[O-] 758392323 XDJGJIHJGFYKIR-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD Cc1nc(C(F)(F)F)c(COC(=O)c2ccc(Br)cc2[N+](=O)[O-])s1 759554908 AZYZGFXJILNIKX-UHFFFAOYSA-N 425.182 4.498 5 20 IIBD COc1ccccc1[C@@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)c1ccccn1 760326607 PIBMEMSEGOKFCV-HXUWFJFHSA-N 426.860 4.241 5 20 IIBD CCO[C@H](C)c1nc(CN2CCN(c3ccc([N+](=O)[O-])cc3OC(F)F)CC2)cs1 760551985 MLYXVZXQFDEAKO-CYBMUJFWSA-N 442.488 4.072 5 20 IIBD C[C@H](C(=O)OCC(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1cccc([N+](=O)[O-])c1 763401115 CZWMDUUVYLRTNW-LBPRGKRZSA-N 429.429 4.143 5 20 IIBD O=C(OCc1csc(-c2ccccc2F)n1)c1cc([N+](=O)[O-])ccc1SCCO 763742932 DUTXTACBXABQFC-UHFFFAOYSA-N 434.470 4.299 5 20 IIBD CC[C@H](C)N(C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)[C@H](C)CC 767509030 FROXWKCTDGSTQL-IYBDPMFKSA-N 434.514 4.402 5 20 IIBD O=C1c2ccccc2N[C@@H](c2ccc(Br)cc2[N+](=O)[O-])N1CC(F)(F)F 767715100 SYVHQKQLIHDEHA-CQSZACIVSA-N 430.180 4.486 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 768710497 VVADYWVGFDAHOG-UHFFFAOYSA-N 442.686 4.153 5 20 IIBD COc1cc(CN2CCC[C@@H]2C[C@@H](O)c2ccco2)c([N+](=O)[O-])cc1OCC(F)(F)F 770320661 DWICDKFGHZEHFA-GDBMZVCRSA-N 444.406 4.226 5 20 IIBD C[C@@H](OC(=O)C=C1CCSCC1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 772140243 SRIMEZYESMEOPM-GFCCVEGCSA-N 433.511 4.042 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 777349840 KLDSUNZFGLMHST-UTKZUKDTSA-N 441.484 4.412 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCCO1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 778202719 WWWKMHYBSMUREY-MRXNPFEDSA-N 435.820 4.357 5 20 IIBD COc1ccc(C(=O)CC(C)(C)C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 780232128 JCQVLAYHAPXHHN-UHFFFAOYSA-N 448.859 4.038 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)c1csc(COc2ccc(F)cc2)n1 780637830 XXNYLUUVHPXTQF-UHFFFAOYSA-N 432.429 4.314 5 20 IIBD O=C(OCc1noc(-c2ccc(F)cc2F)n1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 781173351 IVKQCRIYKGBSLJ-UHFFFAOYSA-N 444.375 4.404 5 20 IIBD C[C@H](OC(=O)[C@H]1CCC(=O)[C@H](C)C1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 781321808 YIASMICXMWUYGH-GMXVVIOVSA-N 444.406 4.125 5 20 IIBD C[C@H]1CCCN(Cc2ccc(NC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1 781602827 NZZFIUJFUWQTAC-INIZCTEOSA-N 426.473 4.306 5 20 IIBD CC1(NC(=O)OC(C)(C)C)CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 781777839 TXYFSDMGJAHGHS-UHFFFAOYSA-N 446.529 4.238 5 20 IIBD Cc1ccc([C@H](C)NC(=O)NCC2(C)CCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] 784349461 DMRBRIPHNHSLKE-INIZCTEOSA-N 434.537 4.301 5 20 IIBD O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCOc2ccc(Br)cc21 786659938 OCVLQNOTQPMZDE-UHFFFAOYSA-N 442.063 4.159 5 20 IIBD CC(=O)Nc1ccc2c(COc3cc([N+](=O)[O-])ccc3Br)cc(=O)oc2c1 786746884 MNNVXHDVICGZFE-UHFFFAOYSA-N 433.214 4.001 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1 786887990 BMRYDQWFQUIICJ-QFIPXVFZSA-N 447.491 4.263 5 20 IIBD O=C(NC[C@@H](O)c1cc(F)cc(Cl)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 787816061 SMULEKRGLAHHQD-LJQANCHMSA-N 446.812 4.215 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC(F)(c2ccccc2C(F)(F)F)CC1 798404122 GCTLQXCRGRZAJS-UHFFFAOYSA-N 446.422 4.482 5 20 IIBD O=C(Nc1cc(F)c(Br)cc1Cl)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 798532857 DTQNZXYMCBLSQX-OAHLLOKOSA-N 442.628 4.282 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1OS(=O)(=O)c1cnc2onc(-c3ccccc3)c2c1 810056939 MWHBAVSFZORVCA-UHFFFAOYSA-N 431.813 4.219 5 20 IIBD C[C@H](N[C@H](C)c1ccc(N2CCCCC2=O)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 810127741 FPYAJQPTILIKDJ-CABCVRRESA-N 444.919 4.443 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(N3CCCCC3=O)cc2)cc1SC 811007773 SEGKRPKOVNBNDB-AWEZNQCLSA-N 443.525 4.333 5 20 IIBD CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811217709 XREUFTXKHMCSIN-KRWDZBQOSA-N 431.514 4.189 5 20 IIBD O=c1ccc2cc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3Nc3ccccc3)ccc2o1 903946978 QZSPLCQUMKRGSP-UHFFFAOYSA-N 437.433 4.246 5 20 IIBD CSc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)ccc1N 913280567 QVOPNUUHRQPJDS-VIFPVBQESA-N 443.403 4.102 5 20 IIBD COc1ccc(CSCC(=O)OCc2cc(Cl)c3c(c2)OCCO3)cc1[N+](=O)[O-] 914717398 IHHSKRSDKHZWGR-UHFFFAOYSA-N 439.873 4.005 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N(C)c2ccccc2)cc1 915248999 BSZKFWQWVAFSJF-UHFFFAOYSA-N 436.420 4.216 5 20 IIBD COc1cc(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)ccc1NC(=O)OC(C)(C)C 915930901 BIDWBMZNBBHQOY-UHFFFAOYSA-N 445.476 4.184 5 20 IIBD CN(Cc1cnn(-c2ccccc2)n1)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 916054313 ZUHLXYCICQAJRD-UHFFFAOYSA-N 429.436 4.240 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)c1cc([N+](=O)[O-])ccc1Cl 916443454 QHQGGRVHCYRBJZ-UHFFFAOYSA-N 434.832 4.472 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)OCCn3c([N+](=O)[O-])cnc3C)cc2[N+](=O)[O-])cc1 917944007 UMVUNTQYHPMDSE-UHFFFAOYSA-N 442.453 4.325 5 20 IIBD C[C@H](c1nn(CN2CCc3ccc([N+](=O)[O-])cc32)c(=S)n1-c1ccc(F)cc1)N(C)C 919947938 QXWYSXZCJKTSHM-CQSZACIVSA-N 442.520 4.093 5 20 IIBD COc1ccc(OC(=O)[C@@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)c([N+](=O)[O-])c1 919979088 RDQOKKMKJQRCOJ-QHCPKHFHSA-N 436.464 4.046 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 919994165 OQUDFJLFUPAMEL-MRVPVSSYSA-N 430.194 4.171 5 20 IIBD CC[C@@H]1CCCCN1C(=O)COC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 920543737 AHBBJMYMUFOIJF-SJLPKXTDSA-N 440.500 4.111 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)c2ccccc2)c([N+](=O)[O-])cc1OCc1cscn1 920652285 JVQRFLOGAOJKOY-CYBMUJFWSA-N 442.449 4.067 5 20 IIBD COc1cc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)c([N+](=O)[O-])cc1OCc1cscn1 1115892839 QQVCYDUSRZSDBA-CABCVRRESA-N 431.514 4.291 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1Cc2ccc([N+](=O)[O-])cc2C1 1319176629 DFVHJGKOUXKFQL-UHFFFAOYSA-N 448.222 4.152 5 20 IIBD O=C(c1cc(C2CC2)nc2ccc(F)cc12)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1322095297 GXIGFMBEWDDZJP-UHFFFAOYSA-N 434.471 4.118 5 20 IIBD Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN(C)CCc2cccc([N+](=O)[O-])c2)cs1 1322721203 VGMUPLNYZKSMJG-UHFFFAOYSA-N 436.537 4.090 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 1344018685 NELZQQZDAUUGJJ-UHFFFAOYSA-N 431.492 4.427 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCCc3nccn3C(F)F)cc2[N+](=O)[O-])n1 1347729504 VVNWMSVDRKEPFO-UHFFFAOYSA-N 439.469 4.075 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])NC1(c2ccc(NC(=O)[C@@H]3CCCCO3)cc2)CCC1 1785890849 YDSIARAKJCVNSP-UNJYKCMZSA-N 449.507 4.311 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1)c1ccc(Cl)o1 1788878969 MBHRGXMUVKAMQA-UHFFFAOYSA-N 429.816 4.496 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1)c1ccc2cc[nH]c2c1 1788914494 MGGYRFORSIXCDN-UHFFFAOYSA-N 443.463 4.466 5 20 IIBD Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4conc4C)CCC3)cc2)cc1[N+](=O)[O-] 1790525881 BASGVQGZCDXIMS-UHFFFAOYSA-N 448.479 4.190 5 20 IIBD CC(=O)CCC(=O)NC1(c2ccc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])cc2)CCC1 1792315615 GLUMADFCSMSOIP-RIYZIHGNSA-N 435.480 4.111 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC([C@@H]2CCCCN2C(=O)c2ccsc2)CC1 1825796811 RCEKVKBDMKETPB-FQEVSTJZSA-N 445.516 4.343 5 20 IIBD O=C(COC(=O)c1c2c(nc3ccccc13)CCCCC2)Nc1cc([N+](=O)[O-])ccc1F 3505288 ZVUHKWVZUCCKMY-UHFFFAOYSA-N 437.427 4.347 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)C1(c2ccc(F)cc2)CCCC1 10799065 XKMZBYLTIDXTHL-CQSZACIVSA-N 430.432 4.125 5 20 IIBD Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c(C)c1 12090630 LHWRVSNEAWDLGR-ZDUSSCGKSA-N 435.274 4.467 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCC[C@@H]2C(=O)Nc3ccccc32)cc1 32720284 RDVVDSUWVGZXPG-IBGZPJMESA-N 447.447 4.252 5 20 IIBD COCCn1c(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nc2cc(Cl)ccc21 32881404 KSYUQSXHHFRQRP-LBPRGKRZSA-N 434.905 4.364 5 20 IIBD O=[N+]([O-])c1cccc(OCCSc2nnc(CN3CCCCC3)n2-c2ccccc2)c1 59122165 MMNHFUJUBKXLCK-UHFFFAOYSA-N 439.541 4.333 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 59741879 BXJLBCDFYFIWPO-INIZCTEOSA-N 426.231 4.284 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2-c2ccc(Cn3cccn3)cc2)c1 72089772 NXCZKYSYWBPYPJ-UHFFFAOYSA-N 442.475 4.445 5 20 IIBD O=C(Nc1ncc(Cc2ccc(F)cc2F)s1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 109270385 JPIPRVCIRSZMDR-UHFFFAOYSA-N 441.419 4.358 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2cc(-n3cccc3)ccc2F)cc1[N+](=O)[O-] 110137918 NZLABROXGREFDE-UHFFFAOYSA-N 438.444 4.057 5 20 IIBD CC(C)n1cnnc1[C@H]1CCCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 301974049 AIFHNMMVZZYJDC-NSHDSACASA-N 428.371 4.078 5 20 IIBD Cc1ccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c(OCCN(C)C)c1 303782397 SSDQIYLIUVOOAF-UHFFFAOYSA-N 426.498 4.219 5 20 IIBD COc1ccc(CCCN(C)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 426264846 FGAAEMLZERJJTI-UHFFFAOYSA-N 425.407 4.396 5 20 IIBD O=C(O)[C@@H](NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 426765493 OYZVILKNOHNWER-QHCPKHFHSA-N 428.448 4.363 5 20 IIBD Cn1ccnc1C[C@H]1CCCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 427055017 RAOKMIPWCNNLCY-LJQANCHMSA-N 434.496 4.002 5 20 IIBD CC1CCN(C(=O)c2ccccc2NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 429867143 MCZIZNXFXKSPQT-UHFFFAOYSA-N 446.301 4.482 5 20 IIBD Cn1cc(CN(Cc2ccc(Cl)cc2)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cn1 430274134 CUAWKBJJIBVTAB-UHFFFAOYSA-N 428.876 4.051 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@H](OCCCc2ccccc2)C1 431407836 ROQWYSKOLFRTIN-KRWDZBQOSA-N 435.427 4.452 5 20 IIBD CCCc1nc(C)c(NC(=O)N2CCN(c3ccc([N+](=O)[O-])c(OCC)c3)CC2)s1 432491896 SVULNNMRQLQVRG-UHFFFAOYSA-N 433.534 4.065 5 20 IIBD O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N(Cc1cc(F)ccc1F)C1CCCC1 434248992 KSBJSJFYMYANRI-UHFFFAOYSA-N 427.411 4.039 5 20 IIBD O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 435830069 ARABOCRVOCSQPR-UHFFFAOYSA-N 447.485 4.354 5 20 IIBD CCN(CC1CCN(c2ccccn2)CC1)C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 437043645 FYIQIAXPBPWXJX-MRXNPFEDSA-N 446.935 4.176 5 20 IIBD O=C(Nc1cccc(CN2CCC(CO)CC2)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 438199931 JGXGAHYGZFAYTG-UHFFFAOYSA-N 437.418 4.070 5 20 IIBD Cc1cc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)ccc1Oc1cccnc1 438658057 YHCOIMMHVSCNTP-UHFFFAOYSA-N 448.479 4.466 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 439725491 YERPRNAFOWJPHO-IBGZPJMESA-N 431.876 4.243 5 20 IIBD Cc1ccc(-n2ncc(C(=O)Nc3ccc4cc([N+](=O)[O-])ccc4n3)c2C(F)(F)F)cc1 440618845 NKDMNUURCWIKDN-UHFFFAOYSA-N 441.369 4.908 5 20 IIBD COC(=O)[C@@H](CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])c1ccccc1 442720517 JFPTURIQOLBAKE-SFHVURJKSA-N 436.489 4.433 5 20 IIBD COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CSc2ccc([N+](=O)[O-])cn2)cc1 448107965 AIJUOAJOPJKVAI-OAQYLSRUSA-N 448.504 4.468 5 20 IIBD Cc1cccc(-c2nc3ccc(F)cc3n2C(C)C)c1NC(=O)Cn1cc([N+](=O)[O-])cn1 460342969 KBAUVTUJIHZRCG-UHFFFAOYSA-N 436.447 4.475 5 20 IIBD C[C@H](Oc1cccc(Br)c1)C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 460345910 IGTZJQOHSRQUTK-SGTLLEGYSA-N 437.315 4.399 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1 461446244 PICXDYKZSAQEQR-PMACEKPBSA-N 448.548 4.312 5 20 IIBD C[C@@H](c1ccsc1)N1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 462244738 GKYZGVSDUMZDBF-LBPRGKRZSA-N 426.445 4.168 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2C(C)C)cc1OC 462590622 JGBXRQYJZRPKTB-HXOBKFHXSA-N 442.512 4.318 5 20 IIBD O=[N+]([O-])c1ccc(OC(F)F)c(CNCCOc2ncc(C(F)(F)F)cc2Cl)c1 462726860 AMCFUFPSEQRXBB-UHFFFAOYSA-N 441.740 4.432 5 20 IIBD C[C@@H](c1ccc(Br)cc1)N1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 462904049 GRDSNMQMYVSDDI-LBPRGKRZSA-N 425.714 4.289 5 20 IIBD O=C(Nc1ccccc1)C1CCN(C(=O)COc2ccc([N+](=O)[O-])c3ccccc23)CC1 464793590 KQGSEVVJATUVHT-UHFFFAOYSA-N 433.464 4.004 5 20 IIBD Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 468156988 HHWYIWFQFWUFCY-HNNXBMFYSA-N 444.919 4.304 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1c1cccc2ccccc12 469189494 UYKWPIINGCRBGH-HXUWFJFHSA-N 440.477 4.060 5 20 IIBD O=C(NCC(=O)N1CCCC[C@H]1c1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 470666043 DPCZAUPWHBWQKI-SFHVURJKSA-N 435.402 4.097 5 20 IIBD COc1ccc(NC(=O)CN2CCCC[C@@H]2c2ncc(-c3ccccc3)[nH]2)c([N+](=O)[O-])c1 472610096 IBWKMICNAUPOMU-HXUWFJFHSA-N 435.484 4.159 5 20 IIBD O=c1c(Br)cc([N+](=O)[O-])cn1Cc1csc(Cc2ccc(Cl)cc2)n1 474351009 DOJGCKOCXYSLED-UHFFFAOYSA-N 440.706 4.268 5 20 IIBD Cc1nc(NC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)ccc1[N+](=O)[O-] 475317404 CSYXBUYSSZZBSD-UHFFFAOYSA-N 430.420 4.478 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2C[C@H](C(N)=O)Cc3ccccc32)cc1[N+](=O)[O-] 484370233 OKAIDQPYUARICW-QGZVFWFLSA-N 427.526 4.037 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1SCc1occc1C(=O)O 485660953 YGSGHKFIGUVBNO-UHFFFAOYSA-N 426.450 4.151 5 20 IIBD CC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1)c1cc(F)cc(Br)c1 485666473 FYJKATJJESJRCR-OAHLLOKOSA-N 441.253 4.151 5 20 IIBD CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 486444248 HNXIHSLSBIBTIK-HXUWFJFHSA-N 426.448 4.143 5 20 IIBD Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 488995770 VQLCDLIKXLLUMY-HSZRJFAPSA-N 433.512 4.425 5 20 IIBD CN1C(=O)COc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)cc21 491024835 BGQIKMVQFZIOKV-UHFFFAOYSA-N 435.461 4.354 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] 493001593 FNQGQQQZZPLMDS-OCCSQVGLSA-N 442.299 4.010 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCc3ccc(C(C)C)cc32)cc1OC 494241000 IKCUNEBVPBXCPM-IBGZPJMESA-N 428.485 4.169 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])Nc1nc2c(s1)CN(Cc1ccccc1)CC2 497404426 WOSDIXWZXXPKBV-UHFFFAOYSA-N 440.550 4.340 5 20 IIBD Cc1nn(CCC(=O)N2CCCC[C@H]2c2ncc(-c3cccc(F)c3)[nH]2)c(C)c1[N+](=O)[O-] 498244563 UWYZZXNCVIJSTL-IBGZPJMESA-N 440.479 4.081 5 20 IIBD CN1CCO[C@H]([C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccc(Cl)cc2)C1 498487391 CBCIDGMTRBWSAJ-ZWKOTPCHSA-N 439.299 4.095 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc(Oc3nncc4ccccc34)cc2)cc([N+](=O)[O-])c1 498563560 NRHYXUHMXRTMPF-UHFFFAOYSA-N 444.403 4.369 5 20 IIBD O=C(NC1(Cc2ccc(F)cc2)CCOCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 499207347 DCZPYTGLRMVBLT-UHFFFAOYSA-N 441.484 4.379 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1 501003374 WMOGTZAUZOZQFL-UHFFFAOYSA-N 437.521 4.194 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])cn1)Nc1nc(-c2ccc(OCc3ccccc3)cc2)cs1 505098082 IZNVQRGDPWJBTG-UHFFFAOYSA-N 435.465 4.133 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 506353192 CNGHBBYQBBDEEC-UHFFFAOYSA-N 439.855 4.082 5 20 IIBD CN(C)C(=O)c1cc(=NCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cc[nH]1 508483146 IOJOOWHZUSASER-UHFFFAOYSA-N 426.860 4.171 5 20 IIBD COc1ccc(C[C@@H](C)C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)cc1OC 510308667 QTRLBWLRGCARLC-CQSZACIVSA-N 440.418 4.382 5 20 IIBD Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N(C)C 510534014 BEHOULGDKKKLAC-AUUYWEPGSA-N 439.434 4.266 5 20 IIBD CO[C@H](C)c1nc(=NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)s[nH]1 511103936 DQCNDOHSAJJWRI-LLVKDONJSA-N 447.904 4.093 5 20 IIBD O=C(NCCc1nc2ccccc2n1C(F)F)c1csc(-c2cccc([N+](=O)[O-])c2)n1 511376693 GFIOLMVRFHLQSZ-UHFFFAOYSA-N 443.435 4.436 5 20 IIBD O=C(c1ccc(Br)cc1Br)N1CCc2cc([N+](=O)[O-])ccc21 512950458 AZGPIAAFTJNDDO-UHFFFAOYSA-N 426.064 4.323 5 20 IIBD COc1cc(C(=O)N2CCc3c(Br)cccc3[C@@H]2C)c([N+](=O)[O-])cc1OC 513262348 RSQMVAMCYZVIAN-NSHDSACASA-N 435.274 4.134 5 20 IIBD CCOC(=O)c1cc2cc(N[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)ccc2s1 513859687 OQAVHONTPDIZEH-GFCCVEGCSA-N 443.481 4.434 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccc(OC(F)F)cc2)o1 514299224 YRNDSIGRHXCPJT-UHFFFAOYSA-N 436.396 4.285 5 20 IIBD C[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(OCC(F)(F)F)cc1 517881016 DXQSIARJDQIZBY-CYBMUJFWSA-N 434.374 4.213 5 20 IIBD C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 518024520 CKIUQPFKUKVPKZ-GUDVDZBRSA-N 439.560 4.261 5 20 IIBD COc1ccc(-c2nc(CN3CCN(c4cc(OC)ccc4[N+](=O)[O-])CC3)cs2)cc1 520307803 BIILPLQXWXAMNY-UHFFFAOYSA-N 440.525 4.058 5 20 IIBD O=C(N[C@H]1CCN(c2ccccc2Br)C1)c1cc2cc([N+](=O)[O-])ccc2o1 521082159 OBFQAEPFVMUOKK-ZDUSSCGKSA-N 430.258 4.112 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)ccc1[N+](=O)[O-] 522357708 CSPOALHCUVSHPE-UHFFFAOYSA-N 435.477 4.362 5 20 IIBD Cc1ccc(NC(=O)NC2(c3cccc(Br)c3)CCOCC2)cc1[N+](=O)[O-] 522970337 QSICIEFLSMAQLS-UHFFFAOYSA-N 434.290 4.493 5 20 IIBD CCOC(=O)[C@@H]1CCCCN1C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 523071096 UBETULVGPXYHMF-AWEZNQCLSA-N 435.527 4.069 5 20 IIBD Cc1nn(-c2ccccc2)c2nc(C(=O)Nc3ccnn3-c3ccc([N+](=O)[O-])cc3)ccc12 524685205 MCZPDNXBBGSCRI-UHFFFAOYSA-N 439.435 4.075 5 20 IIBD Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 533516759 IJSMTPPZPXBNHY-HYBUGGRVSA-N 445.523 4.473 5 20 IIBD COc1ccc(C[C@@H](C)CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 533944079 IKWRZMKANSSWDH-QGZVFWFLSA-N 427.501 4.035 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2cnc(-c3ccccc3)s2)ccc1[N+](=O)[O-] 535788641 PMNWZVXOLDKSFV-SFHVURJKSA-N 436.493 4.270 5 20 IIBD CO[C@H](c1ccc(F)cc1)[C@H](C)Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl 536618530 DVUKTVITGDJDMD-BUXKBTBVSA-N 432.839 4.121 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 538239746 DBOAZZKGJCDVOW-GYOIFBIXSA-N 425.268 4.315 5 20 IIBD Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1[N+](=O)[O-] 539122814 XWFHDKPQKYRRFZ-ZWKOTPCHSA-N 431.558 4.490 5 20 IIBD CCN(CCC1CCN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC1)CC(C)C 539135458 VEIKOIIFRGRFCC-UHFFFAOYSA-N 442.560 4.128 5 20 IIBD C[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(OCc2ccccn2)c1 539254486 WQRIJLYBTKFXJG-MRXNPFEDSA-N 431.452 4.470 5 20 IIBD COc1ccc(-c2nc(NS(=O)(=O)CCc3ccccc3[N+](=O)[O-])sc2C)cc1 540696248 LLFPHBWZHXBSBU-UHFFFAOYSA-N 433.511 4.020 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@H](CCCc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 541149727 KUZMETGFMHQSIK-OAQYLSRUSA-N 447.491 4.422 5 20 IIBD Cc1c(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)oc2c1ccc1ccccc12 541654186 IJFBZEJJBRDKCB-UHFFFAOYSA-N 438.461 4.006 5 20 IIBD CCc1ccc([C@@H](NCC2(N3CCCCC3)CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 543424011 HTZRUEBCYLASTO-QHCPKHFHSA-N 427.545 4.464 5 20 IIBD Cc1nc([C@H]2CCCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2)n[nH]1 544599243 YAUJGMWKWPTKGK-ZDUSSCGKSA-N 446.305 4.423 5 20 IIBD Cc1c(Br)cc(-c2nc(-c3ccncc3N3CCCC3)no2)cc1[N+](=O)[O-] 545113061 NFVQETFLQJGNJH-UHFFFAOYSA-N 430.262 4.378 5 20 IIBD O=C1CCCN1Cc1cccc(-c2noc(CCOc3ccc(Cl)cc3[N+](=O)[O-])n2)c1 545728530 PDBJYGSUUVICQD-UHFFFAOYSA-N 442.859 4.042 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 546795378 UPIYIPXYAZDYRT-UHFFFAOYSA-N 426.498 4.380 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@@H](c2ccc(F)cc2F)C1 548314039 QSSVPKVVLIPOAZ-MRXNPFEDSA-N 428.844 4.219 5 20 IIBD CC(C)(CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CCCCC1 551732069 NVCYOVMWVAZNEH-UHFFFAOYSA-N 426.311 4.019 5 20 IIBD COc1ccc([C@@H](CN[C@H](c2cccc([N+](=O)[O-])c2)c2nccn2C)N2CCCCC2)cc1 552225194 DANWAHMEIWRJAT-DNQXCXABSA-N 449.555 4.243 5 20 IIBD O=C(Nc1cccc(COc2ccc(F)cc2)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 553060518 KPHLLEKLOACUEO-UHFFFAOYSA-N 433.399 4.146 5 20 IIBD O=C(NC1CC1)c1ccc(NCc2cc(F)c(F)cc2Br)c([N+](=O)[O-])c1 553722276 ABSWEMUDQZSYIX-UHFFFAOYSA-N 426.217 4.140 5 20 IIBD CCSc1ccc([C@@H](C)NC(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 557617448 IEGVGXLQFGJNRS-OAHLLOKOSA-N 427.526 4.075 5 20 IIBD CC(C)(C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1)c1ccccc1[N+](=O)[O-] 559364495 PVVHBOKEGAOFRC-GOSISDBHSA-N 433.302 4.235 5 20 IIBD O=C(NCc1cccc(COCc2ccco2)c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 566770316 QPJPTSHNLCJYIF-UHFFFAOYSA-N 437.452 4.009 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(-c2nc(Cc3nc(O)c4c(C5CC5)csc4n3)no2)c1 567544435 HQASPVIESXNNPE-UHFFFAOYSA-N 439.453 4.222 5 20 IIBD CCN(C)[C@H](c1ccccc1)c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 568562471 SSOCBQKPAZBLKU-GOSISDBHSA-N 431.290 4.372 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(Br)ccc2OCCOC)c1 572987926 RDCRWXKWFKIDTO-UHFFFAOYSA-N 439.262 4.034 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](Oc2ccc(Cl)cc2)C1 576852966 GRKKHAVQZVGJES-KRWDZBQOSA-N 436.917 4.280 5 20 IIBD Cc1nc(N2CCN(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)sc1C 584555914 CKCDSBFDBPRRGQ-UHFFFAOYSA-N 429.424 4.041 5 20 IIBD CC1(C)C(=O)N[C@H]1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 590526678 GSBPZRUXLDJACY-FQEVSTJZSA-N 445.585 4.254 5 20 IIBD CC(C)CCSc1ccc(C(=O)NC2CCN(C(=O)C(C)(C)C)CC2)cc1[N+](=O)[O-] 603665320 XDVQBLYFOZLQKM-UHFFFAOYSA-N 435.590 4.500 5 20 IIBD CC(C)NC(=O)c1ccc(N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 604270611 CBUKVIAUTUHYPU-TXEJJXNPSA-N 427.345 4.300 5 20 IIBD O=C1[C@H](Sc2nnc(-c3ccco3)n2-c2ccccc2)CCN1c1cccc([N+](=O)[O-])c1 609450100 WSPZNNMUNJRTKX-LJQANCHMSA-N 447.476 4.333 5 20 IIBD CCc1nc(CN2CCC(CNc3ccc(C(=O)NC(C)C)cc3[N+](=O)[O-])CC2)cs1 609517090 MQAUHBGRINWQCP-UHFFFAOYSA-N 445.589 4.076 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSCc1nc(-c2ccc(F)cc2)no1 609769713 XDFNZMMRSMWXGC-UHFFFAOYSA-N 430.417 4.015 5 20 IIBD O=C(COCCOc1ccccc1)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 609817203 PSTVMCCVNCFWFU-UHFFFAOYSA-N 448.435 4.075 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CCC(c3ccccc3F)CC2)ccc1[N+](=O)[O-] 609864257 SESUTLSOJKPKSO-JOCHJYFZSA-N 439.487 4.053 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3C[C@H](C)CCC[C@H]3C)cc2)cc1[N+](=O)[O-] 610200710 KNQQILOEWQMIRF-NVXWUHKLSA-N 445.541 4.355 5 20 IIBD COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(OC(C)C)c2ccccc12 611278368 QTXQALVDDXKJKM-UHFFFAOYSA-N 430.482 4.482 5 20 IIBD O=C(c1cc(=NCc2ccccc2)cc[nH]1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 611466858 WRLCTKQPKNAHGL-UHFFFAOYSA-N 444.413 4.229 5 20 IIBD C[C@@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 611474165 YRAYMGMGVBWHOH-VGOFRKELSA-N 434.496 4.064 5 20 IIBD Cc1ccncc1[C@H](C)NCC(=O)Nc1cc(N[C@H](C)c2cnccc2C)ccc1[N+](=O)[O-] 611938888 BILYLJAHTCIFTQ-ZWKOTPCHSA-N 448.527 4.464 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N1CCC[C@H]1c1ccccc1Br 618616849 CNLDJSJDNDYTKO-KRWDZBQOSA-N 444.289 4.280 5 20 IIBD CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2OC)CC1 619429673 VZGACVMQENXGDU-FQEVSTJZSA-N 440.496 4.193 5 20 IIBD CN(C)C(=O)N1CCN(C(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)CC1 727755211 RORVGKLBZDNFIC-UHFFFAOYSA-N 441.531 4.373 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC([C@H](O)c2ccc(F)cc2)CC1 731033820 CZFQPILSYDNROK-ZUOKHONESA-N 435.883 4.160 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCO[C@H](c2cccc(Br)c2)C1 732578754 PZRYPWAWIUVUTE-INIZCTEOSA-N 425.666 4.224 5 20 IIBD O=C(Nc1ccc(OC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1)c1cccc([N+](=O)[O-])c1 733036711 HUZWAARIVGEWPG-UHFFFAOYSA-N 446.375 4.456 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C1CCN(C(=O)c2cccnc2)CC1 735272481 FBDPXLVZZJBSMV-UHFFFAOYSA-N 446.463 4.273 5 20 IIBD Cc1nc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)sc1-c1nnc(S)n1C1CC1 736071871 NKHHOHDCGNZTOX-UHFFFAOYSA-N 436.906 4.148 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)Cc3ccc(CN(C)C)cc3)cc2[N+](=O)[O-])C1 738516441 AKWBPHNCENZQMP-KDURUIRLSA-N 438.572 4.411 5 20 IIBD CC(C)CCSc1ccc(C(=O)OCCn2cnc3ccsc3c2=O)cc1[N+](=O)[O-] 739348364 HTSRLYRBMTWLQB-UHFFFAOYSA-N 447.538 4.361 5 20 IIBD CC(C)(C)OC(=O)N[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 741001415 BOECOPVXXJJYBV-SFHVURJKSA-N 448.859 4.240 5 20 IIBD COc1cc(CN(C)CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])c(SC)cc1OC 741251806 MKMLTTFCXPATJK-UHFFFAOYSA-N 439.921 4.058 5 20 IIBD CC(C)C(=O)Nc1ccc(Cl)c(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)c1 745187129 VYWCPDZMRVNENF-UHFFFAOYSA-N 434.832 4.066 5 20 IIBD O=C(NCc1ccc(Br)c(F)c1)c1ccc(Br)c([N+](=O)[O-])c1 746385452 BIOYETRTGPDVBC-UHFFFAOYSA-N 432.043 4.189 5 20 IIBD C[C@@H](OC(=O)C1CC(OCc2ccccc2)C1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 747054005 IUDMTSKZBZEHHY-BZOOQXSSSA-N 432.860 4.114 5 20 IIBD O=C(OCc1cc(Cl)c2c(c1)OCCO2)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 747628029 NWSAOYMEBBMEMA-UHFFFAOYSA-N 432.841 4.500 5 20 IIBD C[C@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1cccc2ccccc12 748726682 WTCBAPHJZWGTES-KRWDZBQOSA-N 447.491 4.382 5 20 IIBD O=[N+]([O-])c1ccc(NC[C@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)c([N+](=O)[O-])c1 748793510 HLIOPZMXALSUSN-AWEZNQCLSA-N 439.268 4.384 5 20 IIBD CC[C@@H](OC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)c1ccc(NC(C)=O)cc1 748884717 GMYSKIVNOHSVKU-KPZWWZAWSA-N 448.859 4.179 5 20 IIBD C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 750682267 AJICMOHQYXMLRH-STQMWFEESA-N 426.901 4.405 5 20 IIBD Cc1cc(C)c(NC(=O)COC(=O)c2cc([N+](=O)[O-])c(Br)cc2F)c(C)c1 751690666 CRDLIHZUGHHPAC-UHFFFAOYSA-N 439.237 4.217 5 20 IIBD CCn1c(COC(=O)c2cc([N+](=O)[O-])c(Br)cc2F)nc2c(F)cccc21 751691533 JUEHYGYLXXMAMO-UHFFFAOYSA-N 440.200 4.362 5 20 IIBD C[C@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1nc(-c2cccs2)no1 756530652 YSOAGPRKBNJJHM-VIFPVBQESA-N 438.259 4.316 5 20 IIBD Cc1ccc2nc([C@H]3CCCN3c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])[nH]c2c1 757769043 VKWPFJJEELPIQR-MRXNPFEDSA-N 436.440 4.117 5 20 IIBD CC(C)(C)Oc1cccc(CCC(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)n1 758528083 IMCGREATJPZZTQ-UHFFFAOYSA-N 425.441 4.498 5 20 IIBD Cc1ccc(-c2ncco2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1I 759848731 JHKKSUXKCVFNCL-UHFFFAOYSA-N 449.204 4.415 5 20 IIBD COc1ccc(CSCC(=O)O[C@@H](c2c(C)nn(C)c2C)C(F)(F)F)cc1[N+](=O)[O-] 760766871 UFWWMYLQKAXNPY-KRWDZBQOSA-N 447.435 4.034 5 20 IIBD CC[C@H]1c2ccsc2CCN1C(=O)COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F 762986944 AFYUCALZCSQDDJ-KRWDZBQOSA-N 434.489 4.152 5 20 IIBD Cc1ccc(CNC(=O)c2cccc(CNC(=O)c3cc(F)c([N+](=O)[O-])cc3F)c2)cc1 763406878 PYCHLKGQPHUSMP-UHFFFAOYSA-N 439.418 4.041 5 20 IIBD CC(C)(C)OC(=O)c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 763601094 OLSPNQCDFAWILQ-UHFFFAOYSA-N 447.387 4.337 5 20 IIBD O=C(Cc1nc(COC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cs1)Nc1ccccc1 763719204 XPOOEOIRLYMWJO-UHFFFAOYSA-N 431.857 4.243 5 20 IIBD O=C(c1nc(NCc2ccco2)ncc1Cl)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 764569826 WLNCQOQEFOOSTI-UHFFFAOYSA-N 427.848 4.048 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(-c3nc(CNC(=O)OC(C)(C)C)no3)cc2[N+](=O)[O-])C1 766932431 KZLLWFCPSICHBW-ZIAGYGMSSA-N 431.493 4.152 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)O[C@@H]1CCOC[C@H]1OCc1ccccc1 767013084 XLMRRSIUGRNEOR-JWQCQUIFSA-N 443.499 4.072 5 20 IIBD CCOC(=O)c1c(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)sc(C)c1-c1ccccc1 767172995 GMUBDZLLPDNIAU-UHFFFAOYSA-N 442.497 4.260 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccccc2NC(=O)Cc2cccs2)cc([N+](=O)[O-])c1F 768272395 OATHMIUAICBUIY-UHFFFAOYSA-N 449.485 4.086 5 20 IIBD Cc1ccc2nc([C@H]3CCCN3S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3C)[nH]c2c1 769896209 XJIBELPBBLUXQW-MRXNPFEDSA-N 434.905 4.267 5 20 IIBD CCC(CC)n1nccc1C(=O)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C 770461938 MBFFNJGTTRAVOQ-UHFFFAOYSA-N 426.477 4.253 5 20 IIBD CCCOc1cccc(CC(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)c1 770462153 RBLWEYIJJOBXDJ-UHFFFAOYSA-N 438.484 4.413 5 20 IIBD Cn1c(C(=O)OCC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)ccc1[N+](=O)[O-] 774363522 MSYKNJFDPPIQAE-UHFFFAOYSA-N 429.816 4.175 5 20 IIBD O=Cc1ccc(OCC(=O)OCc2nc(-c3ccccc3Cl)cs2)c([N+](=O)[O-])c1 774985315 OZYVJUAQIKIJFM-UHFFFAOYSA-N 432.841 4.306 5 20 IIBD Cc1ccc(-c2nc(N)sc2CC(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)cc1C 775832378 NRSJOEZQBMVOSR-UHFFFAOYSA-N 438.465 4.344 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])nn1-c1ccc(Cl)cc1Cl 776426517 JNEHPDIUTXBSBZ-UHFFFAOYSA-N 449.250 4.191 5 20 IIBD CC[C@H](C)n1nc(C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)cc1C 777892668 ZIKFEXHXCXZYAB-AWEZNQCLSA-N 426.477 4.172 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Cl)C1CCN(C(=O)/C=C\c2ccccc2)CC1 778095072 KNABGDMWLIHZFD-TWGQIWQCSA-N 428.872 4.243 5 20 IIBD CCCC(=O)Nc1ccc(C(=O)COC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 781268990 ULZDKTIIQQVRAT-UHFFFAOYSA-N 442.471 4.460 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 781359647 RWNLXRZKYLUXMN-AWEZNQCLSA-N 431.411 4.133 5 20 IIBD Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781636575 SPRCMWPUKHBWOT-IRLDBZIGSA-N 445.479 4.157 5 20 IIBD Cc1ccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1C(=O)N(C)C(C)C 785713206 KSYPGCVPBJLHLR-UHFFFAOYSA-N 434.290 4.398 5 20 IIBD O=C(Cc1csc(-c2cccnc2)n1)O[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 787028541 XZOFSGQXPFYTRX-QGZVFWFLSA-N 442.472 4.007 5 20 IIBD Cc1ccc(-c2csc(CC(=N)NOCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)cc1 789588784 BYNFJOJJZUNRCU-UHFFFAOYSA-N 427.442 4.176 5 20 IIBD COc1cc(C(=O)OCC(=O)Nc2ccccc2Cc2ccccc2)cc([N+](=O)[O-])c1C 791691056 ZLZMGAHKENRQAC-UHFFFAOYSA-N 434.448 4.298 5 20 IIBD Cc1sc2nc(CN3CCc4c(Br)ccc([N+](=O)[O-])c4C3)nc(O)c2c1C 792913671 NSJRQGCNIMEUPW-UHFFFAOYSA-N 449.330 4.243 5 20 IIBD Cc1cc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c(Cl)cc1[N+](=O)[O-] 796203831 CCQOIHRLLLRINW-UHFFFAOYSA-N 440.739 4.251 5 20 IIBD CN(C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 798280548 SIJJZNSIDWEPSX-UHFFFAOYSA-N 440.500 4.128 5 20 IIBD O=C1OCCN1c1ccc(-c2noc(-c3cc([N+](=O)[O-])ccc3N3CCCCC3)n2)cc1 809335215 PYMCBBQSYKEJBO-UHFFFAOYSA-N 435.440 4.259 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)O[C@H]1CCN2CCC[C@@H]2C1 810850117 JTGDVDXWAIUUNA-PKTZIBPZSA-N 446.507 4.160 5 20 IIBD COc1cc(COC(=O)c2cc(N(C)C)c3ccccc3n2)c([N+](=O)[O-])cc1OC(F)F 811326282 NPDZOZAGSZDPGU-UHFFFAOYSA-N 447.394 4.176 5 20 IIBD Cc1c(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 812613908 ACCHBVMXINHVCH-MQMHXKEQSA-N 434.246 4.250 5 20 IIBD O=C(NC[C@H]1CCCCN1C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccccc1 813036656 NXZLYQNUMODXDW-OAHLLOKOSA-N 436.295 4.326 5 20 IIBD C[C@@H](OC(=O)C1CCC(OC[C@@H]2CCCO2)CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 815342987 IYCFENNDXITKNL-LEDLJOFTSA-N 445.472 4.003 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 912445576 MDSIPFAHSFKGMR-UHFFFAOYSA-N 428.466 4.008 5 20 IIBD O=C(CC[C@@H]1CCCO1)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 914971063 PJWMVLDSKUKYHC-OXJNMPFZSA-N 432.860 4.430 5 20 IIBD C[C@@H](OC(=O)c1cc(-c2ccccc2Cl)[nH]n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 914998929 QUAIXDXWQQJYJY-SNVBAGLBSA-N 449.250 4.476 5 20 IIBD C[C@H](OC(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)c1cccc([N+](=O)[O-])c1 915037794 IPUAHMYUUFRGNH-HOCLYGCPSA-N 448.422 4.353 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cnn(-c2ccccn2)c1C(F)(F)F 915191495 VXTJQXYBJLEAJY-UHFFFAOYSA-N 439.781 4.120 5 20 IIBD Cc1ccc(N2C(=O)C[C@H](C(=O)NCc3ccccc3[N+](=O)[O-])[C@H]2c2cccs2)cc1 916422597 DATDWHSNODJCHX-AVRDEDQJSA-N 435.505 4.375 5 20 IIBD C[C@H]1CCc2c(sc3nc(CCC(=O)OCc4ccccc4[N+](=O)[O-])nc(O)c23)C1 917256823 DROKZIRUFAFEKT-LBPRGKRZSA-N 427.482 4.106 5 20 IIBD CC(C)c1cccc(NC(=O)COC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 917257511 FSQPWFPKXVBIOG-UHFFFAOYSA-N 440.374 4.455 5 20 IIBD CC(C)CNC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc1 917720894 MSYMFDWNHCKUPO-UHFFFAOYSA-N 438.528 4.469 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2cc(C(C)(C)C)n[nH]2)c2ccccc2)c([N+](=O)[O-])c1 919320710 KOVJWLJANBFUCA-FQEVSTJZSA-N 436.468 4.461 5 20 IIBD O=C(Nc1ccc(OS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1)c1cccs1 920314143 KUWCIUCJWDUVJQ-UHFFFAOYSA-N 438.870 4.330 5 20 IIBD Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)OC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 920780349 YUIAFFFRFJZMRN-RRFJBIMHSA-N 434.876 4.133 5 20 IIBD COc1ccc(OC(=O)c2cnc3c(c2)c(C2CC2)nn3-c2ccccc2)c([N+](=O)[O-])c1 1342516829 GFFWTXLIVRKYHT-UHFFFAOYSA-N 430.420 4.434 5 20 IIBD CCc1oc2ccccc2c1C(=O)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 1342915966 NRTOHPYIVLYNCW-UHFFFAOYSA-N 433.468 4.132 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(F)cc([N+](=O)[O-])c4)CCC3)cc2)c[nH]1 1788815014 DKFPEQUIADFAHP-UHFFFAOYSA-N 436.443 4.432 5 20 IIBD O=C(CC1CC1)NC1(c2ccc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCC4)cc2)CCC1 1790046872 PTCZGMDRMTZCCB-UHFFFAOYSA-N 435.480 4.078 5 20 IIBD CC(=O)C[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2)CCC1 1790699495 RTAAXFHQXATLTB-CQSZACIVSA-N 441.459 4.097 5 20 IIBD Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(O)cc([N+](=O)[O-])c4)cc3)CCC2)cn1 1790754734 AULYLVBWUUYSFZ-UHFFFAOYSA-N 446.463 4.065 5 20 IIBD Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)c(C)o1 1800709798 COZVEZTWNNFBMR-BJWYYQGGSA-N 445.903 4.332 5 20 IIBD CCCCC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1cc(F)ccc1[N+](=O)[O-])C2 1801717195 RWSJGRXHIKNDCE-GEALJGNFSA-N 433.524 4.131 5 20 IIBD CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)CC1 1824160874 DZKGMUSXSRDJOX-IBGZPJMESA-N 447.963 4.211 5 20 IIBD CC(C)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])CC2 1825146598 HQMRLPGOFOREPO-RCLKMUNOSA-N 442.541 4.113 5 20 IIBD CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 14345406 HADCGIZUZXSYCS-XUWXXGDYSA-N 426.897 4.207 5 20 IIBD CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 15539078 XXFCPAOEXCJBHL-UHFFFAOYSA-N 449.891 4.135 5 20 IIBD COc1cccc([C@@H](CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)N2CCCC2)c1 25182294 NZUUOIHIKDKWGU-HRAATJIYSA-N 429.542 4.037 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3cccc(CN4CCCC4=O)c3)cc2[N+](=O)[O-])CC1 29286238 GIEFCAWHYJBUMJ-UHFFFAOYSA-N 436.512 4.206 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N(C)Cc1cccs1 30582392 QRHPBCWNCUKSDM-UHFFFAOYSA-N 433.511 4.102 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNCc2nnc3n2CCCCC3)cc1 61555848 OUBMHKTURIZYOG-UHFFFAOYSA-N 443.511 4.055 5 20 IIBD C[C@@H](NC(=O)NC1CCN(c2nc3ccccc3s2)CC1)c1cccc([N+](=O)[O-])c1 62536619 UZNDIFSJMURAHK-CQSZACIVSA-N 425.514 4.234 5 20 IIBD COc1ccc(CN2CCC(CNc3ccc(C(=O)NC(C)C)cc3[N+](=O)[O-])CC2)cc1 63282531 QAHBNPVEKMWCCG-UHFFFAOYSA-N 440.544 4.066 5 20 IIBD CCOc1ccc(Oc2ccccc2NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1 69537311 WLQLYGLAZGMUQW-UHFFFAOYSA-N 449.419 4.332 5 20 IIBD Cc1ccc(-c2csc(NC(=O)c3ccc(CN4CCCC4=O)cc3)n2)cc1[N+](=O)[O-] 105353881 MTPUDFINSMXNEK-UHFFFAOYSA-N 436.493 4.401 5 20 IIBD O=C(NCCCNc1ccc([N+](=O)[O-])c2cnccc12)c1ccc(Br)cc1 301204127 YDEDNABQEDYMAG-UHFFFAOYSA-N 429.274 4.138 5 20 IIBD O=C(c1cccc(Cl)c1)N1CCCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 301360543 PZSITOVGJMVZGY-UHFFFAOYSA-N 438.709 4.363 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(Cn2cnc3ccccc32)cc1 302674038 SVCWJUYYVHKQOA-UHFFFAOYSA-N 436.493 4.008 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NCC1(O)CCCCCC1 303668742 CUNFPVDJRUVKBD-UHFFFAOYSA-N 448.523 4.192 5 20 IIBD CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 409817099 GGMBKVOTCAJKDE-UHFFFAOYSA-N 438.406 4.366 5 20 IIBD O=C(O)[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1cnc(-c2cccs2)s1 426735433 FMZMMKFYSNEQRM-INIZCTEOSA-N 428.495 4.047 5 20 IIBD COc1ccc(OCCN(C)[C@H](c2ccc(Cl)cc2)c2cnccn2)c([N+](=O)[O-])c1 426866746 NGNJKEFQIYPVTA-OAQYLSRUSA-N 428.876 4.147 5 20 IIBD CCN(C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 426948732 PHKCXOVDRIPRTI-QGZVFWFLSA-N 437.500 4.260 5 20 IIBD O=C(Nc1nc(CC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cs1)c1ccccc1 427593520 KYPNBKVVEKSZDU-UHFFFAOYSA-N 436.493 4.037 5 20 IIBD O=C(NCc1ccnc(Oc2ccccc2F)c1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 428027030 IUPWKLVDANNGIR-UHFFFAOYSA-N 434.383 4.105 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O 429174420 YOMMAIONXZKPQT-VWNXMTODSA-N 443.519 4.428 5 20 IIBD COc1cc(CNC(C)(C)c2cc(C(F)(F)F)on2)c([N+](=O)[O-])cc1OC(F)F 429242922 YSEGZDVBVXTHET-UHFFFAOYSA-N 425.310 4.237 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 430034133 INIVJSJTPFWNJO-CQSZACIVSA-N 447.257 4.161 5 20 IIBD C[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)c2ccccc2N(Cc2ccccc2)C1=O 430836475 FIKKJTCQAGZWTB-SFHVURJKSA-N 429.476 4.353 5 20 IIBD Cc1ccc(C[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c2ccccn2)cc1 432333834 HQMKFSPZYXPWKQ-OAQYLSRUSA-N 442.475 4.325 5 20 IIBD CCSCC[C@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435834392 IPHDJWGXTXPAOE-LBPRGKRZSA-N 439.584 4.394 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N[C@@H]1CS(=O)(=O)c2ccccc21 439392065 JBPWZWOCHCKYGM-LJQANCHMSA-N 439.449 4.037 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H]1CCC[C@@H]1c1ccc(C)cc1 439997139 HKELIOVVKYHOIG-QUCCMNQESA-N 425.485 4.035 5 20 IIBD Cc1ccc(-n2cnnn2)cc1NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] 440758680 RQCLJQGEASRCFT-UHFFFAOYSA-N 432.465 4.282 5 20 IIBD CN(C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])c1cccc(S(C)(=O)=O)c1 441293463 MDTIPNWQLGOZIX-UHFFFAOYSA-N 442.518 4.426 5 20 IIBD C[C@@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1cccc(-n2cccn2)c1 444113508 GAIHWQUIJPREFR-OAHLLOKOSA-N 426.451 4.497 5 20 IIBD COc1cccc(C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)c1[N+](=O)[O-] 444182675 LLWDUGNWCLDJTQ-MRXNPFEDSA-N 429.231 4.263 5 20 IIBD O=C(CCCCOc1ccc(Br)cc1)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444637095 PNFIZBIIRUJMHO-UHFFFAOYSA-N 447.289 4.099 5 20 IIBD CC(C)(COc1ncccc1C(F)(F)F)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl 448397724 NMHXLPOOFPQNEX-UHFFFAOYSA-N 431.798 4.178 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(NC(=O)c2cccnc2)c(OC)c1 462443068 XWUGGIBZNAXTSZ-KRWDZBQOSA-N 448.479 4.458 5 20 IIBD CN(c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)C1CCN(C(=O)c2ccccc2)CC1 462483027 ZAFZXVCINHRNLX-UHFFFAOYSA-N 446.507 4.310 5 20 IIBD CNC(=O)c1ccc(Oc2ccc(OCc3nc(C(C)(C)C)no3)cc2)c([N+](=O)[O-])c1 462868210 YCGUAXYWUVSZPC-UHFFFAOYSA-N 426.429 4.006 5 20 IIBD COc1cc([C@@H](C)NC(=O)CN(C)c2ccccc2[N+](=O)[O-])ccc1OC1CCCC1 463407326 UIYZIFZGKCQCBK-MRXNPFEDSA-N 427.501 4.238 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Br)sc1Cl 463446344 WWBFCWMBMTWANR-UHFFFAOYSA-N 425.713 4.490 5 20 IIBD CCCc1c(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cnn1Cc1ccccc1 464659026 JANKRZASJUXDHZ-UHFFFAOYSA-N 448.523 4.476 5 20 IIBD CCOc1c(Cl)cc(NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)cc1Cl 466284069 XYJMYJDPAPXYIL-UHFFFAOYSA-N 436.255 4.442 5 20 IIBD CC(C)c1[nH]nc(C(=O)NCc2nc3c(s2)C[C@H](c2ccccc2)CC3)c1[N+](=O)[O-] 468724199 JMCJQUUAADEBLM-CQSZACIVSA-N 425.514 4.100 5 20 IIBD COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1cccc([N+](=O)[O-])c1N)CC2 468730633 WEODMEONSVJGOM-OAQYLSRUSA-N 439.493 4.044 5 20 IIBD COc1ccc(Br)c(CN(C)C(=O)c2cc(SC)ccc2[N+](=O)[O-])c1 469841116 AUFHPDUJLCAQLL-UHFFFAOYSA-N 425.304 4.360 5 20 IIBD O=C(c1ncoc1-c1cccc(C(F)(F)F)c1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 470902228 RICBKQYUSLTEFQ-UHFFFAOYSA-N 433.342 4.172 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2cc(Cl)ccc2NC2CC2)cc1[N+](=O)[O-] 471134043 SMXSKMFLHRKDKE-UHFFFAOYSA-N 444.904 4.355 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])cn1)N(Cc1ccccc1)c1nc2ccc(Cl)cc2s1 471365408 HNEDODPLVHBWHV-UHFFFAOYSA-N 427.873 4.288 5 20 IIBD CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 475185574 PXKWNRQHPGBFHP-UHFFFAOYSA-N 438.406 4.369 5 20 IIBD O=C(Nc1ccc(Cl)cc1Br)N1CCN(c2ccccc2[N+](=O)[O-])CC1 478736973 KJIRBMVJBDANNX-UHFFFAOYSA-N 439.697 4.365 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2CC[C@@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 480509373 IWTGZBBDZXRRLH-LJQANCHMSA-N 445.475 4.303 5 20 IIBD CCn1c(SCC(=O)N(c2ccccc2)C(C)C)nnc1-c1ccc([N+](=O)[O-])cc1 481365733 UXAZSYBQPLLGSF-UHFFFAOYSA-N 425.514 4.407 5 20 IIBD CN(C)Cc1ccc(-c2ccccc2CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)cc1 481687026 NJOBYLYWLIDCCS-UHFFFAOYSA-N 429.480 4.130 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 481932020 ORIWXAAWJLQXJR-UHFFFAOYSA-N 449.554 4.134 5 20 IIBD Cc1c([C@@H](C)NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 482706305 JJZAVFXPMGMRMY-OAHLLOKOSA-N 425.464 4.173 5 20 IIBD Cc1nccn1C[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 482985509 BJXWPAKTFRLGML-OAHLLOKOSA-N 441.919 4.431 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2C(=O)N2CCC(C)CC2)cc1SC 483321231 FYGXXCWSGHMDMN-UHFFFAOYSA-N 443.525 4.450 5 20 IIBD Cc1c(CNC(=O)C(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)cccc1[N+](=O)[O-] 483809464 QLZHSEZQJXMGNW-UHFFFAOYSA-N 447.495 4.001 5 20 IIBD CC(C)(C)Oc1cc(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] 484917368 NKOOZPMOTCANKS-UHFFFAOYSA-N 429.492 4.444 5 20 IIBD COC(=O)c1cc(NC(=O)c2csc(CCc3ccccc3)n2)c(C)c([N+](=O)[O-])c1 485936372 AFTFGNZKVKFRGV-UHFFFAOYSA-N 425.466 4.184 5 20 IIBD CSc1cccc(C(=O)NCCCOC2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] 486731179 ALOCIFDAHNRXHY-UHFFFAOYSA-N 443.569 4.118 5 20 IIBD CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 488002504 YJFHOSWPOMEBOZ-CECAUBDESA-N 426.517 4.344 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H](OC)c1ccc(Cl)cc1 489294635 OZBFHKWUJNITNH-BFUOFWGJSA-N 438.933 4.493 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)n2)c(C)c([N+](=O)[O-])c1 489738121 CFDYWQBQKFTDJX-UHFFFAOYSA-N 428.832 4.090 5 20 IIBD Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)cc2)n1 489799857 LEPCXAVBSFUKPK-CQSZACIVSA-N 430.411 4.490 5 20 IIBD CCOc1ccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1Br 490481677 YEPPYBOELJITRB-UHFFFAOYSA-N 431.246 4.194 5 20 IIBD O=C(NC[C@@H](Cc1ccccc1)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 494241295 KTSZLWQBCZRDCZ-GOSISDBHSA-N 437.883 4.329 5 20 IIBD CC(=O)Nc1ccc(Cl)c(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)c1 494958814 WENRPDRDMJLNLF-UHFFFAOYSA-N 429.782 4.411 5 20 IIBD COc1ccccc1OCCN(C)C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 495085800 PFZCRTUKVTXSCP-UHFFFAOYSA-N 436.464 4.333 5 20 IIBD O=C(Nc1cccc(I)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 495163723 KKEIDARGJWZOFA-UHFFFAOYSA-N 437.237 4.396 5 20 IIBD COC(=O)[C@@H]1C[C@H](OC)CCN1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 497145366 LHECIPIQOKVUIN-MJGOQNOKSA-N 434.876 4.193 5 20 IIBD CS(=O)(=O)c1cccc(Nc2cccc(C[S@](=O)c3ccccc3)c2)c1[N+](=O)[O-] 497532292 DGWZRUUBACSKBY-NDEPHWFRSA-N 430.507 4.050 5 20 IIBD CN(Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1)Cc1cscn1 498138177 HNGISIDSPHTHJY-UHFFFAOYSA-N 433.493 4.484 5 20 IIBD CC(C)(C)c1nc(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cs1 498386120 RZPKMFNKIVAIMG-UHFFFAOYSA-N 426.336 4.013 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@@H](c1ccccc1)c1cccc(Cl)c1 501444375 PDHDXAGDLIDBAK-NRFANRHFSA-N 437.839 4.062 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCCc2cc(Br)cc(F)c21 502745709 VPVTVZLHYRYQHR-UHFFFAOYSA-N 445.248 4.275 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H](C)[C@@H]2CCCOC2)cc1[N+](=O)[O-] 504855977 CCSYAJPSNSUEIP-GDBMZVCRSA-N 428.510 4.093 5 20 IIBD COc1ccc([C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C(F)(F)F)cc1 505387355 LXFPPFPHZJVXMI-LJQANCHMSA-N 437.418 4.240 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1cc(Br)ccc1F 506118444 MUIMRAYCGLAFCB-UHFFFAOYSA-N 446.070 4.118 5 20 IIBD O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 508009093 ZEMWYUSPUUSODP-ZDUSSCGKSA-N 430.823 4.457 5 20 IIBD CCOc1ccc(Br)cc1CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CC1 508516074 JBVIEHQDJYMLJB-UHFFFAOYSA-N 435.274 4.266 5 20 IIBD Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N(C)C 510534022 BEHOULGDKKKLAC-LIRRHRJNSA-N 439.434 4.266 5 20 IIBD C[C@@H]1CN(C2CCN(Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)CC2)CCO1 510558349 JIBKBTABZHETHW-QGZVFWFLSA-N 429.492 4.211 5 20 IIBD O=C(N[C@H]1CCc2c(Cl)cccc21)c1ccc([N+](=O)[O-])cc1I 511654852 MMHXOCUVZYTMCP-HNNXBMFYSA-N 442.640 4.270 5 20 IIBD C[C@@H](c1nc(-c2cccs2)no1)N1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 512723315 RDGPMHIQCIOCFP-OUOZUETKSA-N 425.514 4.098 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2cc(-c3nc[nH]n3)ccc2F)cc1[N+](=O)[O-])c1ccccn1 514757336 KBJPBFWVDUDETP-CYBMUJFWSA-N 447.430 4.339 5 20 IIBD CS(=O)(=O)C[C@H]1CCCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 514851759 QZIQNFBACCXDLD-INIZCTEOSA-N 438.933 4.297 5 20 IIBD COCCOc1cc(C)ccc1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 515689317 SPUSMNGFYUJYCK-UHFFFAOYSA-N 438.484 4.042 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)cccc1[N+](=O)[O-] 516483427 NCFYZYGHOTZROS-SFHVURJKSA-N 446.301 4.262 5 20 IIBD COc1cc(OCC(=O)Nc2ncc(Cc3ccccc3Cl)s2)ccc1[N+](=O)[O-] 519974123 DZTDRQRWVOQRLC-UHFFFAOYSA-N 433.873 4.322 5 20 IIBD CC(=O)NC[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1 520773449 UFRIDPBVCJOVID-OAHLLOKOSA-N 447.944 4.388 5 20 IIBD O=C(NCCOC[C@@H]1CCCO1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 523756477 SXXLHUOXDUBDRV-INIZCTEOSA-N 436.917 4.325 5 20 IIBD O=C(NCCCCc1nc(-c2cccnc2)cs1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 524704300 VXZGELMOWUFNCW-UHFFFAOYSA-N 448.508 4.052 5 20 IIBD CN(Cc1ccc(O)cc1)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 530606555 YKHIKURZZNEDIJ-UHFFFAOYSA-N 437.418 4.194 5 20 IIBD CN1CC[C@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 534224891 UZQQYVCDZKYHNQ-KZULUSFZSA-N 426.275 4.464 5 20 IIBD CCc1nc2ccccc2n1C1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 536828215 VRSUDPCHELMAJJ-UHFFFAOYSA-N 444.495 4.170 5 20 IIBD CN(C(=O)c1ccnc(OCC(F)(F)F)c1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 538252036 QAKKKRYXLFKRHY-UHFFFAOYSA-N 438.387 4.331 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c1 539521024 SVYFJHVEUFQHDN-OAHLLOKOSA-N 427.432 4.359 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c1 539530996 YNPLRWSCHGKTLK-AWEZNQCLSA-N 428.420 4.047 5 20 IIBD COc1ccc(CN[C@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] 540174825 ANFNNVPKILQWRD-GFCCVEGCSA-N 427.379 4.009 5 20 IIBD CCOC(=O)c1ccc(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)cn1 543007112 NZMDEXACXYYWKR-UHFFFAOYSA-N 444.494 4.335 5 20 IIBD Cc1nn(CC(F)(F)F)cc1-c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 545007312 MEBGKTZMYWGIBK-UHFFFAOYSA-N 446.183 4.065 5 20 IIBD COc1ccc(COCCCc2noc(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1 545129688 KWLGBXZVFNDYHE-UHFFFAOYSA-N 438.484 4.403 5 20 IIBD C[S@](=O)Cc1noc(C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)n1 545752572 SRLAJFFNUGFUOA-XLRVMVJVSA-N 440.506 4.249 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3cncc(Br)c3)n2)c(Br)c1 546448937 VYLLNNUEYBFLMX-UHFFFAOYSA-N 440.051 4.156 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccccc3C[S@](C)=O)cc2[N+](=O)[O-])C1 546523294 IUVOAMTZQHCBGH-KHFRWJKUSA-N 429.542 4.208 5 20 IIBD COc1cccc(-c2nc(CSc3nc4cc([N+](=O)[O-])ccc4c(=O)n3C)cs2)c1 547248914 FQUQBPQTTCQYRF-UHFFFAOYSA-N 440.506 4.266 5 20 IIBD C[C@@H](CCc1ccccc1[N+](=O)[O-])Nc1cccc(C(=O)N2CCCC[C@@H]2CCO)c1 547361280 MDZKEOQQQOHCED-PGRDOPGGSA-N 425.529 4.405 5 20 IIBD CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 551474432 HKBLVMSEGNJOCU-DJJJIMSYSA-N 447.919 4.377 5 20 IIBD COCC1(CNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CCOCC1 553023805 SDTNQZPTLRZDEU-UHFFFAOYSA-N 447.919 4.033 5 20 IIBD CSc1ccc([C@@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])N(C)C)cc1 554707614 OIXQVAQRRUAEJD-QGZVFWFLSA-N 438.347 4.112 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CCC(c2noc3cc(F)ccc23)CC1 555114763 KRDGFBFNPWKPLG-UHFFFAOYSA-N 436.399 4.149 5 20 IIBD Cn1ccnc1[C@@H](N[C@H]1CCCN(c2ccccc2Cl)C1)c1cccc([N+](=O)[O-])c1 556868157 PIDGUFBDLGURKP-UWJYYQICSA-N 425.920 4.330 5 20 IIBD COc1ccc(CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC2CCC2)c(OC)c1 558737383 ALJFUVBKEUTMCF-UHFFFAOYSA-N 438.484 4.464 5 20 IIBD CC(C)(C)c1cc(CS(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)no1 560039206 QTUGZVVIOYVVTM-UHFFFAOYSA-N 429.498 4.417 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H]2CCc3sc(Cl)cc32)ccc1[N+](=O)[O-] 565512682 HKWWJPOGXJDPMT-GDBMZVCRSA-N 433.917 4.026 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(CCCc3ccc(O)c(F)c3)n2)c(Br)c1 571322895 CJTGTJNBHBGWRK-UHFFFAOYSA-N 436.237 4.351 5 20 IIBD Cc1ccc(-c2noc(-c3cc(NS(C)(=O)=O)cc(C(F)(F)F)c3)n2)cc1[N+](=O)[O-] 571800863 FMVGDAFILVPDIF-UHFFFAOYSA-N 442.375 4.011 5 20 IIBD CCOc1ccc(NC(=O)CN2CCC(c3noc4cc(F)ccc34)CC2)c([N+](=O)[O-])c1 578229786 LLIDIOBZIGAOAJ-UHFFFAOYSA-N 442.447 4.092 5 20 IIBD CN(CC(=O)N1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 591450572 AXPCMFCJFAUGAS-UHFFFAOYSA-N 433.917 4.094 5 20 IIBD C[C@H](Sc1nnc(-c2ccc(OC(F)F)cc2)o1)C(=O)Nc1ccccc1[N+](=O)[O-] 594669250 OBGBOXNVSKUVHE-JTQLQIEISA-N 436.396 4.366 5 20 IIBD COc1cc(C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)c([N+](=O)[O-])cc1OC 603762543 RUKJSEZKMCBCHY-UHFFFAOYSA-N 435.436 4.425 5 20 IIBD O=C(Nc1cccc(NS(=O)(=O)c2ccccc2)c1)c1cc2cc([N+](=O)[O-])ccc2o1 603895077 MURXZDLKZFLJDA-UHFFFAOYSA-N 437.433 4.394 5 20 IIBD CCCN1CCC(N(C)C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 604440015 YLSOBQCISIILCG-KRWDZBQOSA-N 425.533 4.109 5 20 IIBD COc1ccc(CC(=O)N(C)CC2(c3ccc(Br)cc3)CC2)cc1[N+](=O)[O-] 610154879 RBDBVGQNARBDFA-UHFFFAOYSA-N 433.302 4.099 5 20 IIBD COc1ccc(Cl)cc1C[C@@H]1CCCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 610162571 KVIFNSZIWMMJGU-ZDUSSCGKSA-N 442.896 4.039 5 20 IIBD O=C(c1ccnc(OCC(F)(F)F)c1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 610171589 ODPYPOKRGRHBJW-UHFFFAOYSA-N 437.296 4.136 5 20 IIBD O=C(NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(Br)cc1[N+](=O)[O-] 610571846 BDLJUHKAFBGYSE-LBPRGKRZSA-N 438.709 4.267 5 20 IIBD COc1ccc(CSCC(=O)N2CCC(OCc3ccccc3F)CC2)cc1[N+](=O)[O-] 611266192 DNSAFFNAABDMDA-UHFFFAOYSA-N 448.516 4.184 5 20 IIBD O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1CCO[C@@H]([C@@H]2CCCO2)C1 613400881 ACZKLVNGOOXONK-ZWKOTPCHSA-N 448.928 4.419 5 20 IIBD CC(C)CO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cccs2)C1 619854762 SYBCSNQWCUURPU-SFHVURJKSA-N 427.530 4.214 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 620609773 IKYGHUDEGPODKL-GOSISDBHSA-N 445.950 4.451 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3ccsc3)nc2C)c([N+](=O)[O-])c1 726232942 YIIBUZFWMNKKEB-ZDUSSCGKSA-N 441.465 4.219 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])OCc1nnc(-c2c(Cl)cccc2Cl)o1 726633757 WNTIOURPEISKGH-UHFFFAOYSA-N 437.239 4.497 5 20 IIBD O=C(CCc1ccc(OC(F)(F)F)cc1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 727534954 KKKTYNIMWHTIOR-UHFFFAOYSA-N 427.331 4.036 5 20 IIBD CC(=O)c1c[nH]c(C(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)c1 727988475 POBMCNOZEIDXKH-UHFFFAOYSA-N 427.800 4.250 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1ccccc1SC(F)F 728503538 UVOLEHCABYKPKE-UHFFFAOYSA-N 439.259 4.473 5 20 IIBD COC(=O)[C@H](C)NC(=O)c1ccc(N[C@H](C)c2csc3ccccc23)c([N+](=O)[O-])c1 729986126 HTCUEMHEXRMOET-OLZOCXBDSA-N 427.482 4.274 5 20 IIBD CC(C)Oc1ccccc1C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 730048739 MBFUJGGSDFDUIP-UHFFFAOYSA-N 426.347 4.196 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCc3sccc3C2)cc1 731753951 SXDMIHRCDQJSOP-UHFFFAOYSA-N 438.509 4.420 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H]2CCCN(C(=O)c3ccccc3Cl)C2)c1 732609264 AJORWSVTWWMXFB-ZDUSSCGKSA-N 434.901 4.432 5 20 IIBD O=C(/C=C/C1CCOCC1)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 732691389 HRDFKDWKUJELAM-JLXBBBJOSA-N 444.871 4.454 5 20 IIBD Cc1nc2c(s1)[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1I)CCC2 733066399 GDKDTMSTLGNIMQ-CYBMUJFWSA-N 444.250 4.199 5 20 IIBD O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1ccc(OCc2cccnc2)cc1 733687655 HHNYUHXYBGSQCL-UHFFFAOYSA-N 448.479 4.037 5 20 IIBD COc1cc(C2SCCS2)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 734490835 PIRRRFSSEHUNTF-UHFFFAOYSA-N 427.525 4.158 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCCCC[C@H]1c1cccc(C)c1 735481030 PJYFTWBVNSFDLS-IBGZPJMESA-N 426.469 4.247 5 20 IIBD O=C(OCc1nnc(-c2ccccc2Cl)o1)c1ccc([N+](=O)[O-])cc1Br 739552210 PKIDDCRJQQMHQY-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(c3cncc(Br)c3)CC2)c(C(F)(F)F)c1 742400479 YBQFOJVBJXVBOK-UHFFFAOYSA-N 431.212 4.098 5 20 IIBD C[C@H](NC(=O)COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 745564384 AQRJHFIIJNDMFP-JTQLQIEISA-N 430.766 4.301 5 20 IIBD C[C@H](OC(=O)C[C@@H](C)C(=O)c1cccc(F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 746085569 LRWPANKBMDHISY-NEPJUHHUSA-N 436.823 4.167 5 20 IIBD CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 746358127 MFMIHCZEIPEYAO-UHFFFAOYSA-N 428.436 4.333 5 20 IIBD O=C(Nc1ccccc1C(=O)OCC[C@H]1CCCC1=O)c1ccc([N+](=O)[O-])cc1Cl 748166462 AQZZHVCEEBAGMR-CYBMUJFWSA-N 430.844 4.417 5 20 IIBD COc1ccccc1N1CC[C@H](CNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 749891116 BBDYSINPLKWUTE-GFCCVEGCSA-N 440.378 4.469 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccccc1N1CCOC1=O 750562353 MSEIAZGQWVUGHY-UHFFFAOYSA-N 441.387 4.301 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCCSCc1ccnc(Cl)c1 752740001 GYAOZBVGZXINAI-UHFFFAOYSA-N 432.354 4.438 5 20 IIBD CN(C)c1cc(F)c(C(=O)N2CCC(c3noc4cc(F)ccc34)CC2)cc1[N+](=O)[O-] 753027293 RTUHSOMGWMRBNV-UHFFFAOYSA-N 430.411 4.100 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)cc1[N+](=O)[O-] 753080636 RSXFCFKZAOLCEZ-ZWKOTPCHSA-N 440.905 4.040 5 20 IIBD Cc1csc(C(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)c1Br 753957963 WKSVRBAHFYXELY-UHFFFAOYSA-N 440.319 4.196 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2c1CCN2C(=O)OC(C)(C)C 753983617 LWPQVYWDVUHFKD-UHFFFAOYSA-N 433.486 4.002 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N(Cc1ccccc1)Cc1cc[nH]n1 754996721 QNTIGUYQCNIZAJ-UHFFFAOYSA-N 433.237 4.062 5 20 IIBD CO[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1cccc(Cl)c1 755019443 QJOWDWIJDLPEHH-AWEZNQCLSA-N 431.645 4.267 5 20 IIBD CN(Cc1nccn1Cc1ccccc1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 755026783 YBCNFSMMEWFAMV-UHFFFAOYSA-N 444.289 4.266 5 20 IIBD C[C@H](C(=O)O[C@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1F 755066721 GPFDSXFIKXUOSB-JKSUJKDBSA-N 443.475 4.398 5 20 IIBD Cc1cccc(Cl)c1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Br 757710879 OMHSXDVSQDFHDU-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD O=C(OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1scnc1C1CCCC1 760203772 LLAHQRMIUOKUDK-OAHLLOKOSA-N 429.498 4.171 5 20 IIBD CC(C)(C)CNC(=O)c1ccc(C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 760524327 CYFZDOVVEFZQBG-UHFFFAOYSA-N 437.452 4.383 5 20 IIBD COc1cccc(C(=O)Nc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)c1[N+](=O)[O-] 766683299 DMQQSCASLUUWBF-UHFFFAOYSA-N 427.457 4.149 5 20 IIBD C[C@@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1c(F)cccc1-n1cccn1 768212315 ZHPDGRIFGIAYHX-MRXNPFEDSA-N 438.459 4.440 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 768325680 TZJGEMHVNBZKPN-LBPRGKRZSA-N 441.793 4.222 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1ccc(N2CCCCC2)c(Cl)c1 770278660 JQBSROKISOIBJP-UHFFFAOYSA-N 428.880 4.437 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2ccc(N)c(Cl)n2)c2ccccc2)c([N+](=O)[O-])c1 772078101 SLUXBEQBBBYSQU-GOSISDBHSA-N 440.843 4.071 5 20 IIBD Cc1ccc2nc([C@@H]3CCCN(S(=O)(=O)c4cc(Cl)ccc4[N+](=O)[O-])C3)[nH]c2c1 775590154 DJJPIUWEHOBOLZ-CYBMUJFWSA-N 434.905 4.001 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cc(OC(F)F)cc(OC(F)F)c1 775926738 YHORWPZSVIYKDM-UHFFFAOYSA-N 447.293 4.021 5 20 IIBD CSc1nc(C)c(CCC(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])c(C)n1 776139377 UIZQGYQBFBNRBX-OAQYLSRUSA-N 438.509 4.384 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCc2ncc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)cc2C1 777007879 NAQXBWUVTTXWLD-HNNXBMFYSA-N 446.891 4.278 5 20 IIBD O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1cnn(Cc2ccc(C(F)(F)F)cc2)c1 777402774 OMTYBEUDTCBKEP-LSCVHKIXSA-N 442.353 4.203 5 20 IIBD Cc1ccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1N1CCOC1=O 780838431 GEGCHKHIJPWRST-UHFFFAOYSA-N 449.413 4.477 5 20 IIBD CN(C)c1ccc(C(F)(F)F)cc1NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781569850 PPAGMVWQFBRRJZ-UHFFFAOYSA-N 426.351 4.159 5 20 IIBD CN(C)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 782080731 AYDMCKCOVBLDLH-UHFFFAOYSA-N 439.859 4.214 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 783956409 GQWGDVUMNQASKZ-UHFFFAOYSA-N 433.445 4.126 5 20 IIBD COC(=O)c1ccc(-c2nc(COC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)cs2)cc1 785946949 GWCKROMSOUJDPN-UHFFFAOYSA-N 446.868 4.444 5 20 IIBD Cc1c(CNC(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)cccc1[N+](=O)[O-] 790425161 RMDHBXATQZZRSP-UHFFFAOYSA-N 428.489 4.292 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc(C)c1F 790915981 YQCAKJQFDLWEBC-DIFFPNOSSA-N 425.254 4.311 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(CCc1ccccc1F)C1CCCC1 800626934 AJRVJJRNISPXDL-UHFFFAOYSA-N 431.439 4.134 5 20 IIBD O=C(NCCOC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1Cl 802055344 YYPIGVZDRSWJGE-HNNXBMFYSA-N 448.756 4.251 5 20 IIBD Cc1c(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cnn1-c1ccc(Cl)cc1 808129153 LQINORXNHIOUHB-UHFFFAOYSA-N 427.269 4.197 5 20 IIBD Cc1cccc(CNC(=O)Cc2noc(-c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)n2)c1 809484008 CRHNOWRFSPQGGB-UHFFFAOYSA-N 449.511 4.048 5 20 IIBD Cc1cccc(NC2CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)CC2)c1 809821182 IOHBRFGOGIYBLU-UHFFFAOYSA-N 444.340 4.475 5 20 IIBD CCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813043131 FDRWUMJBTQGNCN-UHFFFAOYSA-N 426.256 4.254 5 20 IIBD C[C@H](c1ccc(F)cc1)N1CCC[C@H](OC(=O)CSc2ccc([N+](=O)[O-])cc2)C1=O 816404831 CRWMAVISIRIUAN-KUHUBIRLSA-N 432.473 4.121 5 20 IIBD CC(C)[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)N1C[C@H](C)C[C@@H](C)C1 878472595 LLCQTNOVSLDCNK-UDCNLSRBSA-N 448.563 4.227 5 20 IIBD COc1ccc2c(c1)C[C@@H](C(=O)Oc1ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc1)CO2 914774731 IEGGBCKPHQFSLC-QGZVFWFLSA-N 448.431 4.012 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ccccc1[N+](=O)[O-] 915837356 SAIZFOAHPXMJNV-INIZCTEOSA-N 441.396 4.062 5 20 IIBD Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 916083624 AIMUIPSEBIXZKA-UHFFFAOYSA-N 429.436 4.144 5 20 IIBD O=C(OCc1nc(O)c2ccc(C(F)(F)F)cc2n1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 916608060 OJBRMWITATVAPC-UHFFFAOYSA-N 448.357 4.194 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 918298743 AATQBULWVXECFO-GFCCVEGCSA-N 444.900 4.203 5 20 IIBD COc1ccc(CSCC(=O)NCCc2ccc(N3CCCCC3)cc2)cc1[N+](=O)[O-] 918578952 OHPBIORUFUTZGB-UHFFFAOYSA-N 443.569 4.186 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1 919687168 ZBQGTLKCERGIHX-PVABEOQZSA-N 431.851 4.420 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 919994166 OQUDFJLFUPAMEL-QMMMGPOBSA-N 430.194 4.171 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O[C@H](C)C(=O)Nc1cccc(Cl)c1 920779109 PRKLSKBXOBDLTJ-MNOVXSKESA-N 427.240 4.239 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCCOc1cccc2ccccc12 920892977 VNVCYXZNVAUKOY-UHFFFAOYSA-N 436.420 4.058 5 20 IIBD C[C@@H](C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 1318796077 YBTVKERPOACHHD-QRWLVFNGSA-N 425.485 4.339 5 20 IIBD O=C(Cc1ccc(NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc1)Nc1ccccc1F 1323252669 NFDGZQGQXQMYPK-UHFFFAOYSA-N 434.427 4.463 5 20 IIBD Cc1c([C@H](C)N[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)cnn1C 1342349938 WGFDDXZUZOJZKI-RBZFPXEDSA-N 427.892 4.321 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)[C@@H]3[C@H]4C=CS[C@H]43)CCC2)cc1 1785795502 RTZSFWXZKQYPQJ-CEMLEFRQSA-N 449.532 4.147 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@H]3CCC=CO3)cc2)CCC1)c1ccc([N+](=O)[O-])cc1F 1789503758 BEJZSBLDGJRSGW-HXUWFJFHSA-N 439.443 4.174 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])NC1(c2ccc(NC(=O)[C@H]3C[C@H]3F)cc2)CCC1 1790435241 MVDAQJMFFMWGQE-DLBZAZTESA-N 443.500 4.179 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]3F)CCC2)cc1 1790771087 ONQPRJDPWUHPNY-WBVHZDCISA-N 429.423 4.148 5 20 IIBD CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)[nH]n1 1816821945 VTRWJIVBXOZLBN-IBGZPJMESA-N 439.516 4.232 5 20 IIBD CCC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3F)n[nH]2)CCC1 1821054085 CTNJEPWXRXCFRZ-GOSISDBHSA-N 443.479 4.343 5 20 IIBD CC[C@H](C)CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])c(O)cc2C)CC1 1830787377 BZGWPYMLMLWPKC-OXJNMPFZSA-N 445.560 4.278 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c([N+](=O)[O-])c1 16772243 STRQWKLACYOLQO-CYBMUJFWSA-N 437.452 4.148 5 20 IIBD CSc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(Br)c2)cc1[N+](=O)[O-] 16913267 BCHLNLZRJONNHW-JTQLQIEISA-N 439.287 4.263 5 20 IIBD O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 22574261 OZNBXENUJHQCAY-UHFFFAOYSA-N 426.845 4.205 5 20 IIBD C[C@H](OC(=O)CSCc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 22719882 BXJAIXYWEFGZRC-NSHDSACASA-N 426.853 4.191 5 20 IIBD C[C@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)Nc1ccccc1Br 22792115 XLWDBBGXJGFBMN-VIFPVBQESA-N 427.638 4.195 5 20 IIBD CCOc1ccc(CCC2CCN(C(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)CC2)cc1 26053309 ZRDRRLJGSYKSEC-UHFFFAOYSA-N 449.511 4.059 5 20 IIBD Cc1csc(Sc2ccc(C(=O)OCC(=O)N3[C@H](C)CCC[C@H]3C)cc2[N+](=O)[O-])n1 28831708 VDZDAUSLXNNLHE-ZIAGYGMSSA-N 449.554 4.457 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3ccc4oc(=O)[nH]c4c3)cc2[N+](=O)[O-])n1 29838107 BNZVAONOVGZRAU-UHFFFAOYSA-N 428.451 4.198 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(C(N)=O)c(Cl)c3)cc2[N+](=O)[O-])C1 31954986 KAWCRWJGLVSCGM-BETUJISGSA-N 430.892 4.082 5 20 IIBD COc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] 33096265 XAUVGBILAPCGAL-HNNXBMFYSA-N 438.267 4.154 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCc3ccccc3COC(C)C)cc2)c(C)c1[N+](=O)[O-] 43773996 XHRLARRJHBZSJC-UHFFFAOYSA-N 436.512 4.311 5 20 IIBD Cc1ccccc1[C@@H](OC[C@H](O)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 59374303 FAWMYPFDUKOENQ-VWNXMTODSA-N 444.491 4.329 5 20 IIBD COCCN(C(=O)C1=Cc2ccccc2OC1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 61204086 WAMVGUGGVFEIEB-UHFFFAOYSA-N 437.477 4.174 5 20 IIBD COc1cc([C@@H](C)NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OC1CCCC1 62154270 OVCCPUSGZPXAJH-OAHLLOKOSA-N 441.484 4.049 5 20 IIBD CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 65127821 OTBRPXKVNHUVRZ-UHFFFAOYSA-N 446.479 4.201 5 20 IIBD CCCN(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1nnc(-c2ccccc2Cl)o1 96979857 KNSNJIWRGIAUOL-UHFFFAOYSA-N 429.864 4.149 5 20 IIBD CCN(CC(=O)Nc1c(Cl)cccc1Cl)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 217103099 LIRPADISGYNSLG-GFCCVEGCSA-N 439.299 4.189 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1[N+](=O)[O-] 301149532 LZUWKZBTZQDBFR-MRXNPFEDSA-N 442.255 4.188 5 20 IIBD C[C@@H](Cc1nc2ccccc2s1)Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] 301756453 YIKHJUNYTAZXTA-JTQLQIEISA-N 427.454 4.244 5 20 IIBD C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)Nc1c(Br)cncc1[N+](=O)[O-] 302798561 BBWYQBXAVNMGOV-ZDUSSCGKSA-N 448.321 4.182 5 20 IIBD O=C(Nc1nc(-c2ccccc2F)cs1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303540544 YKFYAXTYUSJNDO-CQSZACIVSA-N 446.485 4.162 5 20 IIBD Cc1c(C(=O)Nc2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)cccc1[N+](=O)[O-] 303644087 BZKHCDPUBMHRFS-UHFFFAOYSA-N 431.514 4.109 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1nc2c(s1)C[C@H](c1ccccc1)CC2 409576698 OSSDOOMRPBFMTJ-OAHLLOKOSA-N 429.523 4.433 5 20 IIBD COc1ccc(CNC(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)cc1[N+](=O)[O-] 429175923 VYYXKMDYSJTAAZ-UHFFFAOYSA-N 426.473 4.444 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(SCc3ccccc3)s2)c1C 431316603 DABOMDJTHMHTRJ-UHFFFAOYSA-N 436.540 4.156 5 20 IIBD COc1ccc(Br)c(CN(C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 432900791 CGTOWOWFEBLSKX-UHFFFAOYSA-N 445.317 4.398 5 20 IIBD O=C(NCc1cccc(NC(=O)c2ccccn2)c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 436065735 PJYCFTGVFUBAAC-UHFFFAOYSA-N 448.482 4.259 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c(O)c2)c1 436708371 JNSUYCCFBPAILO-UHFFFAOYSA-N 427.457 4.014 5 20 IIBD COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1C 438898409 HXGVBXDQQFBTEP-UHFFFAOYSA-N 449.463 4.354 5 20 IIBD Cc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c(OC(C)(C)C)c1 440649048 PZDXMDDKVOSYCH-INIZCTEOSA-N 445.541 4.063 5 20 IIBD COc1cc(C(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)cc([N+](=O)[O-])c1OC 440751578 WOITWCAAONJNLW-OAHLLOKOSA-N 430.848 4.119 5 20 IIBD COc1ccc(OCCN2CCC(c3c[nH]c4ccc(OC)cc34)CC2)c([N+](=O)[O-])c1 441237661 SEIUJZAEJDYTDE-UHFFFAOYSA-N 425.485 4.352 5 20 IIBD CN(Cc1cc(Br)cs1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br 445821909 ZJVIJQKFFIJNEA-UHFFFAOYSA-N 448.136 4.382 5 20 IIBD CC(C)[C@@H](c1ccccc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 447019178 BHNSBZWRVNZLOF-KRWDZBQOSA-N 427.320 4.375 5 20 IIBD O=C(Nc1ccccc1)C1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC1 447687646 JHNFBDSSITXIRQ-UHFFFAOYSA-N 444.360 4.499 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@H]3[C@@H]3CCCO3)n2Cc2cccs2)c1 461309677 PEVTTXDFCMXOHJ-OALUTQOASA-N 425.514 4.111 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])c1nnc(-c2cc3ccccc3o2)n1C[C@H]1CCOC1 461387133 RSBOFNGBVHZQDO-QGZVFWFLSA-N 447.495 4.315 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(-c2cccnc2)n1C[C@H]1CCCCO1 461870581 XFYONWYHIKJOCM-OAQYLSRUSA-N 436.516 4.232 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 462430595 HVSOEDBOCRQNFM-QWFCFKBJSA-N 425.529 4.411 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2C)ccc1C 464717097 XOVPAJDRKQOTAP-INIZCTEOSA-N 445.541 4.281 5 20 IIBD C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464781364 YSKIGICJSLASGO-JXFKEZNVSA-N 429.542 4.252 5 20 IIBD CCOc1cccc(CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1OC(F)F 465012657 GJSYBNUORVMIHY-LBPRGKRZSA-N 426.441 4.392 5 20 IIBD COc1ccccc1-c1noc([C@H](C)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 466503177 BOYWGUAOICALJM-HNNXBMFYSA-N 439.472 4.335 5 20 IIBD C[C@H](Cc1ccccc1Br)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 470758545 XZBLOGJKASVIHC-CYBMUJFWSA-N 443.301 4.119 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1cc(Cl)ccc1NC1CC1 471145673 ZHKLSXOOWFEOHA-UHFFFAOYSA-N 430.848 4.149 5 20 IIBD CCN(CCCN1CCCC1)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 472974177 BKBOMHFHHBBBBL-SFHVURJKSA-N 425.533 4.111 5 20 IIBD Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)c2)c1 473346129 CROPCFUBHBOKTR-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD CC[C@H](CCO)CNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 476101278 UNWNFMYADPTUFN-CYBMUJFWSA-N 431.539 4.494 5 20 IIBD COC(=O)CSCc1cccc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 477505314 AMQGIAQITDPWRF-UHFFFAOYSA-N 437.905 4.019 5 20 IIBD O=C(CN1CCCC[C@@H]1c1ncc(-c2ccccc2)[nH]1)N1CCc2cc([N+](=O)[O-])ccc21 477638038 IFGIMNYLQFWWPL-JOCHJYFZSA-N 431.496 4.101 5 20 IIBD COc1cc(C(=O)NCCCc2ccccc2F)c([N+](=O)[O-])cc1OCc1cscn1 478110839 HTKUQLFRZRKKLB-UHFFFAOYSA-N 445.472 4.141 5 20 IIBD CCCC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 479427742 SQGKFFYCLKXJEB-UHFFFAOYSA-N 432.285 4.441 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 479760185 QTJZAEYMUSLIRI-QMMMGPOBSA-N 449.227 4.224 5 20 IIBD Cc1ccccc1COc1cccc(NC(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1 483600000 HIAYEJICFLNUFA-UHFFFAOYSA-N 433.464 4.079 5 20 IIBD O=C(NCc1cccc(-n2ccnc2)c1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 485472937 DSCRQNSKOXQLSJ-UHFFFAOYSA-N 428.448 4.290 5 20 IIBD CC(C)[C@H]1OCCC[C@@H]1CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 488002503 YJFHOSWPOMEBOZ-AQOAWAETSA-N 426.517 4.344 5 20 IIBD C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1c1nc(O)c2cc([N+](=O)[O-])ccc2n1 488478911 NNZHYHCTKJZZGV-APPDUMDISA-N 434.374 4.229 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Br)c(=O)n(C)c1 489935691 UMDGCXCNYPFSRQ-UHFFFAOYSA-N 440.319 4.056 5 20 IIBD O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2 497427792 FOILESFXIWUPJO-HOTGVXAUSA-N 441.434 4.095 5 20 IIBD O=C1[C@@H](N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)CCN1c1cccc([N+](=O)[O-])c1 504408142 MFMZUMZFOXBWHV-VXKWHMMOSA-N 436.899 4.322 5 20 IIBD O=C(COc1c(Cl)cncc1[N+](=O)[O-])N1N=C(c2ccco2)C[C@H]1c1cccs1 506543111 XSEVEDBEFFZSFT-ZDUSSCGKSA-N 432.845 4.054 5 20 IIBD CCC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)c1 509188910 VVBDLEDMEDQULG-UHFFFAOYSA-N 438.221 4.353 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCc1nc2ccccc2n1C(F)F 511388525 TYHYEZXMLJHLNZ-NSHDSACASA-N 438.818 4.119 5 20 IIBD COc1cc(CN[C@H]2CCO[C@@H]2c2cccnc2)ccc1OCc1ccc([N+](=O)[O-])cc1 512350653 SNTQMUMXLYRPTK-XUZZJYLKSA-N 435.480 4.197 5 20 IIBD COc1ccc(-c2nc(C)c(C(=O)N(C)CCc3cccc([N+](=O)[O-])c3)s2)c(F)c1 512999726 UFHIADFPYWYQIU-UHFFFAOYSA-N 429.473 4.489 5 20 IIBD COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c2ccccc12 514312778 VZXQHFSMDLNYCD-UHFFFAOYSA-N 433.464 4.248 5 20 IIBD Cc1ccc(NC(=O)[C@H]2CCCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])C2)nc1 515501643 JTFNRSANTAQIFT-FQEVSTJZSA-N 444.491 4.384 5 20 IIBD O=C(NCC1(c2ccc3c(c2)OCO3)CCOCC1)c1cc2cc([N+](=O)[O-])ccc2s1 516752672 RRSIGVGEXIGWSW-UHFFFAOYSA-N 440.477 4.016 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 517310554 ZRAMOYXIBMYGQU-UHFFFAOYSA-N 427.436 4.229 5 20 IIBD COc1ccc(COCc2cccc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)c2)cc1 519096917 QZPOKDLKKFXYCW-UHFFFAOYSA-N 436.420 4.301 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(COc2ccc(Br)cc2)cc1 520097202 IKAJXOGGMUZTCR-UHFFFAOYSA-N 445.273 4.080 5 20 IIBD COc1ccc(CN2CCC(CNC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC2)cc1 520126436 BTLNAYCTSIECOG-UHFFFAOYSA-N 439.537 4.460 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1I 520437511 USUDSKOZSJCFNZ-SECBINFHSA-N 446.628 4.259 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C 520669248 RWBHWHAGPBBWED-GFCCVEGCSA-N 442.472 4.290 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](C)c1nc(-c2ccncc2)cs1 521134737 HEDVOHPOMXQNHB-NEPJUHHUSA-N 432.889 4.411 5 20 IIBD O=C(NCc1cc(Br)ccc1OC(F)F)c1c[nH]c2cc([N+](=O)[O-])ccc12 523682459 WHMCUTDUSZFQHZ-UHFFFAOYSA-N 440.200 4.370 5 20 IIBD CC[C@@H]1Oc2cc([C@H](C)N[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)ccc2NC1=O 524721787 ATJRRYNPCWKXMA-IUUKEHGRSA-N 446.891 4.036 5 20 IIBD CCCOc1ccc(Cl)cc1NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 524898223 GWZAYSLWFOPGRV-UHFFFAOYSA-N 446.891 4.027 5 20 IIBD COc1ccc2[nH]cc(C3=CCN(Cc4nc(-c5ccc([N+](=O)[O-])cc5)no4)CC3)c2c1 533350970 DGMYRYWBOGZYSU-UHFFFAOYSA-N 431.452 4.424 5 20 IIBD C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CC=C(C(F)(F)F)CC1 533835992 PSMICJVFJROADN-NSHDSACASA-N 426.420 4.240 5 20 IIBD O=C(CSCC(F)(F)F)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 534903091 PZQJYZSFWGGHGG-UHFFFAOYSA-N 426.376 4.275 5 20 IIBD COc1ccc(-c2nnc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)s2)cc1 536490044 CTGAAPDJMOWZJK-UHFFFAOYSA-N 442.500 4.321 5 20 IIBD C[C@@H]1CCCN(c2ccc(C(=O)N[C@H]3CCO[C@@H]3c3ccc(F)c(F)c3)cc2[N+](=O)[O-])C1 537313851 JIYWFEMJGZMZBI-YFYZNPQRSA-N 445.466 4.369 5 20 IIBD C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC1(c2ccccc2Cl)CCOCC1 537967988 KQUPRIMSXUPVHL-INIZCTEOSA-N 431.920 4.303 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 540865569 SRMCOURCGFNEPR-SFHVURJKSA-N 440.548 4.277 5 20 IIBD COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] 543855602 GLJVJNRZFDDAIH-HNNXBMFYSA-N 438.267 4.154 5 20 IIBD C[C@H]1CCCN1C(=O)c1ccc(-c2noc(-c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)n2)cc1 546561971 UPZBUJXVZZOIPZ-HNNXBMFYSA-N 444.451 4.122 5 20 IIBD COc1ccc(CC(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCCO2)cc1[N+](=O)[O-] 548294073 MSNJVOLETLPMHB-INIZCTEOSA-N 434.876 4.386 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1cc(F)ccc1Oc1ccccc1 549747060 GGXWKMGZEQBBRU-UHFFFAOYSA-N 437.427 4.166 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)NCc2ccccc2OC(F)(F)F)cc1[N+](=O)[O-] 551410950 KFDUSTKWOORNLV-UHFFFAOYSA-N 439.390 4.046 5 20 IIBD COC(=O)c1cc(C(=O)Nc2nc3c(Br)cccc3s2)cc([N+](=O)[O-])c1 553747717 ZPFGZPDBPUOFFJ-UHFFFAOYSA-N 436.243 4.006 5 20 IIBD O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]1/C=C/c1ccccc1 556526116 NPPVWXWRSMYXMP-KBOKABMXSA-N 444.285 4.000 5 20 IIBD CC(=O)NCCCc1ccc(-c2csc(NC(=O)c3c(C)cccc3[N+](=O)[O-])n2)cc1 557244271 MPFSSFZNJZHLQQ-UHFFFAOYSA-N 438.509 4.348 5 20 IIBD CCOC1CC2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3Oc3ccc(OC)cc3)C2)C1 557655747 FFFGCICGRCAFIU-UHFFFAOYSA-N 426.469 4.427 5 20 IIBD CC[C@@H]1CN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C[C@@H](C)S1(=O)=O 558029052 CEMMCAIMVIIMOF-CRAIPNDOSA-N 448.566 4.092 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CC[C@H](Sc2cccc(Cl)c2)C1 558116798 KWGKMRLQDAJIHN-KRWDZBQOSA-N 447.944 4.092 5 20 IIBD COc1cc(C(=O)Nc2nc(C)c(C(F)(F)F)s2)c([N+](=O)[O-])cc1OC(F)F 563675576 SKBQILPJLJAITM-UHFFFAOYSA-N 427.307 4.241 5 20 IIBD O=C(NC1(c2noc(CCOc3ccc(Cl)cc3[N+](=O)[O-])n2)CCC1)c1ccccc1 564281304 BTZCCUBNCGQLFA-UHFFFAOYSA-N 442.859 4.062 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c1 566368632 XWYYNOGOLHMKTM-MRXNPFEDSA-N 437.418 4.017 5 20 IIBD CN1C(=O)COc2cc(NC(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])ccc21 569070142 LMMOWQFQVQTZKL-UHFFFAOYSA-N 435.461 4.354 5 20 IIBD CC1(C)C(=O)N[C@H]1C1CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 570959456 CKTXEPHBVSZGRC-FQEVSTJZSA-N 439.537 4.123 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC(C)(C)[C@H]3c3cnn(C)c3)cc2[N+](=O)[O-])C1 571207722 FVSUQIIDYCSWMJ-WHSLLNHNSA-N 425.533 4.034 5 20 IIBD Cc1cccc2c1OC[C@@H](NC(=O)c1ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c1)C2 571966531 SDPHVPFAJFMSDA-APWZRJJASA-N 432.480 4.205 5 20 IIBD CC(=O)N(c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1)C1CC1 574429073 HUBQOKPICXXMOR-UHFFFAOYSA-N 432.274 4.054 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC(c4ccsc4)CC3)n2C[C@H]2CCOC2)c1 575895443 KLWWRWHUYHKVMO-MRXNPFEDSA-N 439.541 4.335 5 20 IIBD COc1ccc([C@H]2CCCN2c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])cc1 603473112 QKKGAORJTCCFRK-HXUWFJFHSA-N 445.541 4.120 5 20 IIBD COCCN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@H](C)c1cccc(C(F)(F)F)c1 603530163 MAQBEWKBQHQXTM-GFCCVEGCSA-N 440.374 4.192 5 20 IIBD Cc1c(CS(=O)(=O)CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] 603697744 VXBGTVNDYLWBRG-LBPRGKRZSA-N 445.324 4.002 5 20 IIBD Cc1ccc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1NC(=O)c1ccccc1 603760810 BMMYIICYFUGJDQ-UHFFFAOYSA-N 444.491 4.118 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)c([N+](=O)[O-])cc1OC 603993467 XHKVRTIUCANNJS-HNNXBMFYSA-N 441.484 4.269 5 20 IIBD COc1cc([C@H](C)NC(=O)NCc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccncc1 604100477 SMNZEMYIKCTJEZ-INIZCTEOSA-N 436.468 4.138 5 20 IIBD COc1cc([C@@H](C)NC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)ccc1OCC(C)C 604105035 KASMVNCPXFAIDA-OAHLLOKOSA-N 431.489 4.207 5 20 IIBD COC(=O)C[C@H]1CCCCN1C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 604478780 PWVMMBPHXPSSRO-QGZVFWFLSA-N 445.903 4.418 5 20 IIBD Cc1cccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)CC2)c1 607703255 OPHBHGICJRYNHS-UHFFFAOYSA-N 430.508 4.478 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 608809417 HOGKZGWMRIFFID-NZVBXONLSA-N 439.693 4.450 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC[C@H]3CN3CCCC3)cc2[N+](=O)[O-])n1 608813912 HFHLDZIODPZNBZ-INIZCTEOSA-N 432.571 4.211 5 20 IIBD O=C(c1ccc(I)cc1Cl)N1CCc2ccc([N+](=O)[O-])cc21 609055337 DHPWLAIBPLMXQD-UHFFFAOYSA-N 428.613 4.056 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)C(F)(F)F)cc2)c([N+](=O)[O-])c1 609231796 OESTZHIIVWKIEM-UHFFFAOYSA-N 426.319 4.058 5 20 IIBD O=C1c2ccccc2C(=O)N1CCCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 609544456 FSUBMAWFLULGLP-UHFFFAOYSA-N 435.505 4.489 5 20 IIBD O=C(Nc1ccc(C(=O)NCc2ccccn2)c(Cl)c1)c1cc(Cl)cc([N+](=O)[O-])c1 609855380 PBQMJCSGVGHLLS-UHFFFAOYSA-N 445.262 4.479 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccc(Br)cc1O 610254239 LRMRHCLKWYBDIO-UHFFFAOYSA-N 442.074 4.171 5 20 IIBD C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CCC[C@@H](C[C@H]2CCOC2)C1 611350815 TUNHFQRIIJQZEU-IXDOHACOSA-N 444.557 4.184 5 20 IIBD O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC(c2nc(-c3ccccc3)cs2)CC1 611513875 VGIPIABOXUYBEJ-UHFFFAOYSA-N 437.477 4.467 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCC1CCN(Cc2ccccc2)CC1 612281452 TYPXPIVKHQSPGQ-UHFFFAOYSA-N 433.961 4.369 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCN(C/C=C/c2ccccc2)CC1 651539896 NZYTWWUXPBZPFF-DHZHZOJOSA-N 437.543 4.012 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 726154240 GSYYJLGEALDODF-UHFFFAOYSA-N 440.681 4.078 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OCc2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] 726676658 VJVWTKSKQQYJQV-GOSISDBHSA-N 436.386 4.270 5 20 IIBD CCNC(=O)c1cc(Cl)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1Br 731463991 QNAXWVQVQUGVAL-UHFFFAOYSA-N 426.654 4.013 5 20 IIBD CC1CCC(N(C(=O)COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C2CC2)CC1 733432377 KXUVBLXREAHFTL-UHFFFAOYSA-N 446.547 4.268 5 20 IIBD CCc1ccc(OC(=O)[C@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)c([N+](=O)[O-])c1 734736633 DJCGUCASIURBJT-HNNXBMFYSA-N 448.422 4.216 5 20 IIBD Cc1ccc[n+](/C(C(=S)Nc2ccc3c(c2)OCO3)=C(/O)c2ccc([N+](=O)[O-])cc2)c1 735295057 OQSPBHIOXOCXNU-UHFFFAOYSA-O 436.469 4.243 5 20 IIBD CC(C)[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)N1C[C@H](C)C[C@@H](C)C1 740423614 TUQGDNTWLBXEQM-XNJGSVPQSA-N 441.322 4.043 5 20 IIBD CNC(=O)c1ccc(N[C@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)c([N+](=O)[O-])c1 742389965 GHKSZZKTJDMNNQ-JOCHJYFZSA-N 435.480 4.368 5 20 IIBD CC[C@@]1(C)CCCN(C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 742857669 HHIFALUGFCGCAS-NRFANRHFSA-N 432.498 4.015 5 20 IIBD Cc1c(C(=O)O[C@@H](C)C(=O)c2ccc(OC(F)F)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748947444 LJNFWGXJQHLQCO-NSHDSACASA-N 438.339 4.149 5 20 IIBD O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1cc(Br)cc([N+](=O)[O-])c1Cl 750880216 QFYZUFICFCCDAW-CYBMUJFWSA-N 438.709 4.410 5 20 IIBD COc1ccc2cccc(CC(=O)OCC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])c2c1 754305819 MVNHLJXPKYOYOA-UHFFFAOYSA-N 428.828 4.134 5 20 IIBD COc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c1 755208842 VXMZHRYXIBBUGW-INYRMVIESA-N 432.476 4.379 5 20 IIBD Cc1cc(F)cc(C(=O)Nc2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c1[N+](=O)[O-] 756239768 LSYLJVBTMBTMPC-UHFFFAOYSA-N 447.467 4.063 5 20 IIBD C[C@@H](C(=O)Nc1cccc(OCCNC(=O)OC(C)(C)C)c1)c1cccc([N+](=O)[O-])c1 761706608 VPCIPBAUXOHTLJ-OAHLLOKOSA-N 429.473 4.241 5 20 IIBD O=C(O)C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cccc(Cl)c1 761900232 WYQIVQBENLNARO-IBGZPJMESA-N 434.879 4.140 5 20 IIBD COc1cccc(-c2nc(COC(=O)c3cc([N+](=O)[O-])ccc3SCCO)cs2)c1 763746404 IGVAXNXTNHGNTI-UHFFFAOYSA-N 446.506 4.168 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)Nc1cc(C)cc(C)c1 763810219 LCXYTOKVKGZRJL-OAHLLOKOSA-N 432.498 4.134 5 20 IIBD C[C@H](OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(=O)Nc1cc(Cl)ccc1Cl 763871662 YAJFNXHTFMILPW-NSHDSACASA-N 449.250 4.271 5 20 IIBD Cc1ccc(S(=O)(=O)Oc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)cc1[N+](=O)[O-] 767598503 RDRZUFUVLJVKKV-AWEZNQCLSA-N 436.486 4.257 5 20 IIBD Nc1ccc(NS(=O)(=O)c2cc(Br)c(Cl)cc2Cl)cc1[N+](=O)[O-] 769860401 VGNNXKYDDRHEOA-UHFFFAOYSA-N 441.090 4.047 5 20 IIBD COc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1N1CCOC1=O 771765422 OITMTZXECSBJEY-UHFFFAOYSA-N 440.334 4.223 5 20 IIBD Cc1nc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])sc1Cc1c(F)cccc1F 775167437 IJZUHRMRZCAYOL-UHFFFAOYSA-N 443.428 4.169 5 20 IIBD CN(C(=O)[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 775496058 PSFPMVXVCADJRT-GJZGRUSLSA-N 446.529 4.375 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@H](O)c1c(Cl)cccc1Cl 778931143 RZFUQEKJTOBQPH-AYVTZFPOSA-N 435.210 4.355 5 20 IIBD COc1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C(F)(F)F)cc1 780302695 PQGPYEKTBBUZNL-MRXNPFEDSA-N 427.335 4.162 5 20 IIBD Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1O 782772342 DCPQLFCIDGSXSB-UHFFFAOYSA-N 428.854 4.318 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 785657529 HFWDBLQRPGBEOZ-UHFFFAOYSA-N 437.252 4.471 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cc2ccccc2n1CC(F)(F)F 787191221 IPBQPKFIBLWMIZ-UHFFFAOYSA-N 435.358 4.216 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OCc2ncc(C(C)(C)C)s2)ccc1[N+](=O)[O-] 790881665 CWFGLIXALVRLAW-MRXNPFEDSA-N 431.514 4.005 5 20 IIBD Cn1cc(CNCCC2=CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 793330699 MBRQNYYLFXOPLJ-UHFFFAOYSA-N 441.532 4.042 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 796391496 YVNYAMPFAOATPO-JKSUJKDBSA-N 449.341 4.390 5 20 IIBD Cc1cc(OCC(=O)O[C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)ccc1[N+](=O)[O-] 797495675 MFJFWTXQNANUPQ-CYBMUJFWSA-N 431.832 4.214 5 20 IIBD O=C(OCc1nc2cc(Br)ccc2o1)c1ccc([N+](=O)[O-])c2cccnc12 803416233 ZORPZWUCVOQISS-UHFFFAOYSA-N 428.198 4.404 5 20 IIBD O=C(OCc1cc(F)ccc1[N+](=O)[O-])C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1 808308138 RFGDONURCKLUSJ-UHFFFAOYSA-N 439.436 4.093 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(Cc3noc([C@H]4Cc5cc(Br)ccc5O4)n3)c2c1 809433796 NEQNLFORSFNZFD-QGZVFWFLSA-N 441.241 4.489 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc([C@H]3Cc4cc(Br)ccc4O3)n2)c1 809476943 ZZLUSZUQWQJLSA-MRXNPFEDSA-N 432.230 4.016 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 809919729 DQUJVZPDOZHBCV-QWHCGFSZSA-N 426.901 4.405 5 20 IIBD Cc1ccc([C@@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@@H](C)S(C)(=O)=O)cc1 809998652 GEYLGIIPKKENNM-PXAZEXFGSA-N 431.341 4.474 5 20 IIBD C[C@H](C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)n1ccc2ccccc2c1=O 811219809 ZMPMMKUJWUUNOY-CQSZACIVSA-N 435.461 4.338 5 20 IIBD Cc1ccc([C@@](O)(Cc2noc(C(C)(C)c3ccccc3[N+](=O)[O-])n2)C(F)(F)F)o1 813892641 YXGNRCXAJHTHSY-SFHVURJKSA-N 425.363 4.198 5 20 IIBD CCOc1ccc(C(=O)O[C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] 816399572 SBHNBOUVFDZQDV-XOBRGWDASA-N 430.432 4.042 5 20 IIBD CC(C)n1c2ccccc2n2c(S[C@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)nnc12 847218702 AJJBGCLKFCWPLI-GFCCVEGCSA-N 442.476 4.432 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)COc1cccc(Cl)c1 864245025 ZUKRQELZGUBLLH-UHFFFAOYSA-N 430.848 4.114 5 20 IIBD Cc1cccc(C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)n1 891961577 RCMHGHPVADZPBA-LJQANCHMSA-N 425.828 4.488 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)cc1 912764412 HLCWVXCQZHWMLY-GIDUJCDVSA-N 437.477 4.356 5 20 IIBD CCN(CC)C(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc1Cl 915170346 YPFKQCPAFICVIQ-UHFFFAOYSA-N 434.836 4.199 5 20 IIBD C[C@@H](OC(=O)c1csc(Cc2ccccc2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 915453514 CORVOJJAYJBORM-GFCCVEGCSA-N 445.884 4.480 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3cccc(CN4CCOC4=O)c3)cc2[N+](=O)[O-])CC1 916077002 LGIREJVFTUWKIY-UHFFFAOYSA-N 438.484 4.036 5 20 IIBD NC(=O)c1cccc(OC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)c1 917053424 FRVZNPACCPHSHA-UHFFFAOYSA-N 425.828 4.178 5 20 IIBD O=C(NS(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)c1sc2cc(Cl)ccc2c1Cl 917447493 GNUPNZCLGSKTOC-UHFFFAOYSA-N 449.268 4.374 5 20 IIBD C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)COC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 918824938 KCVCNVXWVZWLNM-ZDUSSCGKSA-N 431.876 4.199 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCc1cc(F)ccc1[N+](=O)[O-] 919015106 FKLZIZWVPPHLKO-UHFFFAOYSA-N 431.298 4.206 5 20 IIBD C[C@H](Nc1ccc(C(=O)O[C@H](C)C(=O)NC2CCCCC2)cc1[N+](=O)[O-])c1ccccn1 920546233 WMKGQZZGLLENDO-JKSUJKDBSA-N 440.500 4.157 5 20 IIBD Cc1cc(C(=O)OCC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)cc([N+](=O)[O-])c1 920906533 YTQHQVVVMDXCDZ-QHCPKHFHSA-N 430.460 4.234 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCO[C@H](c2ccc(Cl)s2)C1 1116328492 VOZJWNPFFZGAHO-YGRLFVJLSA-N 430.313 4.364 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N2CCC(Nc3ccccc3Cl)CC2)c([N+](=O)[O-])c1 1318416131 KTGHJBBRVLQZEY-UHFFFAOYSA-N 439.903 4.294 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CCC([C@H]3C(=O)Nc4ccccc43)CC2)c1Br 1323791893 DNFHCFLYRSRDER-MRXNPFEDSA-N 431.290 4.013 5 20 IIBD Cc1ccc(I)cc1-c1nnc(COc2ccccc2[N+](=O)[O-])o1 1326974732 CZSCJNJNLXCLNR-UHFFFAOYSA-N 437.193 4.137 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C13CCC(CC1)CC3)C2 1793944571 XATJYEIGVCITLQ-CLZVLWOCSA-N 439.556 4.136 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1)c1ccc2cc[nH]c2c1 1818484892 SCVCLJWDLBQCNR-QGZVFWFLSA-N 448.439 4.012 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N[C@H]1CCc2nc(NC(=O)CCC(C)C)sc2C1 1825142548 URMMVCLPTAMUMQ-ZDUSSCGKSA-N 448.520 4.161 5 20 IIBD O=C([C@@H]1CC=CCC1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830492406 FPTFPEVUJCPJDW-GCJKJVERSA-N 443.519 4.324 5 20 IIBD CCOc1ccc(NC(=O)c2ccc(NC(=O)COc3cccc([N+](=O)[O-])c3)cc2)cc1 10797742 LFPOXAMGFGHPJH-UHFFFAOYSA-N 435.436 4.263 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NC3CCN(C4CC4)CC3)c([N+](=O)[O-])c2)c(C)c1 14327122 XJALZUXVSUXKCD-UHFFFAOYSA-N 444.557 4.051 5 20 IIBD O=C(Nc1ccccc1C(=O)NCCOc1ccccc1)c1ccc([N+](=O)[O-])cc1Cl 15372908 QHLWLVAHTYQFSA-UHFFFAOYSA-N 439.855 4.309 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 15410324 CFEOLANDVGGDIL-UHFFFAOYSA-N 439.493 4.371 5 20 IIBD COCc1c(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2cccc(F)c12 17937834 CHAMSVFQQCTYIE-NSHDSACASA-N 432.429 4.279 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)COc1ccc(Cl)c2ccccc12 19486404 GURHSGUVSNQXOO-UHFFFAOYSA-N 428.828 4.271 5 20 IIBD CCN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 23138579 GQDJDZDXXWTENJ-UHFFFAOYSA-N 434.949 4.364 5 20 IIBD COc1cc(C(=O)NCc2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])cc1OC(F)F 29795685 UBQYHEAQSPCCSU-UHFFFAOYSA-N 436.289 4.033 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ccnc(N2CCCC2)c1 115559626 QHGVVTXYBWDQLF-UHFFFAOYSA-N 440.447 4.017 5 20 IIBD CCOc1ccc(-c2noc(CCC(=O)Nc3cc(-c4cccc([N+](=O)[O-])c4)n[nH]3)n2)cc1 116303475 DJSRQPJBYSUMMA-UHFFFAOYSA-N 448.439 4.005 5 20 IIBD C[C@H](OC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2)C(N)=O 209955414 SLROIPNNWYGZAG-QXPQOBGOSA-N 431.448 4.051 5 20 IIBD COc1ccc(Cl)cc1N1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 301175603 LGEAMWLFQBFSQL-QGZVFWFLSA-N 444.919 4.184 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NC[C@@H](O)c1c(Cl)cccc1Cl 301334542 FUHSJOFRDAMWGL-CYBMUJFWSA-N 441.239 4.043 5 20 IIBD Cc1ccccc1-c1csc(NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 303372934 KMPGBPPBBXRATL-UHFFFAOYSA-N 430.873 4.049 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c1 303577277 OBOOUFLQXSWNDM-HNNXBMFYSA-N 439.459 4.340 5 20 IIBD CCCc1[nH]nc(C(=O)N2CCC(F)(c3ccccc3OC(F)(F)F)CC2)c1[N+](=O)[O-] 410166800 IRSBTMJKCJRKGF-UHFFFAOYSA-N 444.385 4.270 5 20 IIBD O=C(NCc1cccc(NC(=O)C2CCCC2)c1)c1ccc(Br)cc1[N+](=O)[O-] 429864608 WCUHBNKOQVRIFJ-UHFFFAOYSA-N 446.301 4.416 5 20 IIBD CN(Cc1cc(Br)cs1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] 429944386 GZQHGUSPVNNLCE-UHFFFAOYSA-N 434.109 4.454 5 20 IIBD CCOc1cc(CS(=O)(=O)Cc2coc(-c3ccc(Cl)cc3)n2)ccc1[N+](=O)[O-] 434639960 HSNJNSGZJOKMIS-UHFFFAOYSA-N 436.873 4.417 5 20 IIBD O=C(c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)N(Cc1ccsc1)c1ccccc1 435727413 XJHYTDJILVRBJZ-UHFFFAOYSA-N 435.461 4.157 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N(CCc1ccccn1)Cc1cccnc1 436032893 JMMARRVZBDYSRW-UHFFFAOYSA-N 434.499 4.356 5 20 IIBD O=C(Nc1n[nH]c(-c2ccc(Br)cc2F)n1)c1cc(Cl)cc([N+](=O)[O-])c1 439246004 LVHSDTAHCAMPGZ-UHFFFAOYSA-N 440.616 4.187 5 20 IIBD O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 444225544 LOPIKRXPHXZKKY-UHFFFAOYSA-N 439.446 4.283 5 20 IIBD CCN(C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[C@@H]1CCN(Cc2ccccc2)C1 444327457 QOHNYNPZLWLBFX-OAQYLSRUSA-N 425.532 4.418 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H](c1ccccc1)c1nccs1 445866305 MAEYDZGYBDNDAK-KRWDZBQOSA-N 432.299 4.262 5 20 IIBD Cc1nc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])sc1Cc1c(F)cccc1F 446946323 PTXCZELKUARFTE-UHFFFAOYSA-N 439.465 4.171 5 20 IIBD CC(C)(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 460459312 JVBFDWCFPILVJC-UHFFFAOYSA-N 428.464 4.188 5 20 IIBD COc1ccc(C(=O)CCCCCC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 461417836 KWZBJJOPSYXYCS-UHFFFAOYSA-N 426.469 4.158 5 20 IIBD CCOC(=O)c1cnn(C2CCN(c3cc(C)c([N+](=O)[O-])cc3C(F)(F)F)CC2)c1C 461879001 YHVFTBOTLWZNEN-UHFFFAOYSA-N 440.422 4.445 5 20 IIBD COc1ccccc1[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1Cl 462247405 NYXVNSYECJVGJD-OAQYLSRUSA-N 425.872 4.235 5 20 IIBD COC(=O)[C@H](CC(F)F)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 468006839 VDSLOORLFBKZFI-ZDUSSCGKSA-N 444.843 4.326 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@H]1c1cccc(C(F)(F)F)c1 470602004 NHBGGLUIDVIRFD-KUHUBIRLSA-N 449.429 4.486 5 20 IIBD CC[C@@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C1CCOCC1 470669628 RDTUCBSJPLMKEB-QGZVFWFLSA-N 443.466 4.151 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](OCc2ccccc2)C1(C)C 471690665 YHMDYFXAWYPJSW-NHCUHLMSSA-N 444.553 4.447 5 20 IIBD COC(=O)[C@H]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1C 475373258 PHGVFCYMWVHDPU-JTSKRJEESA-N 434.496 4.079 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)[C@@H]1CCN(c2ccccc2)[C@H]1C)c1ccccc1[N+](=O)[O-] 475487252 NKHQGGWPOJOIEK-DSKINZAPSA-N 439.512 4.009 5 20 IIBD COc1cc(C(=O)N2CC[C@H](c3ccccc3)C2)c([N+](=O)[O-])cc1OCc1cscn1 476177279 YSPKRSMFBBETQS-INIZCTEOSA-N 439.493 4.269 5 20 IIBD Cc1cccc(I)c1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 479357800 ZVRYKZOGSMXVMI-UHFFFAOYSA-N 444.656 4.134 5 20 IIBD CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 479570902 WUOAOVDSPKZYMJ-MRXNPFEDSA-N 438.402 4.296 5 20 IIBD CC(=O)c1sc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)nc1-c1ccccc1 481905620 GJZGBKIYWDVLIB-UHFFFAOYSA-N 433.449 4.359 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 482055372 UVQGRJFCRPZCQY-QGZVFWFLSA-N 444.513 4.260 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](CO)Cc1ccc(F)c(F)c1 482339654 WBRKNAGKVXLBDI-HNNXBMFYSA-N 438.496 4.202 5 20 IIBD COc1cc(OC)c(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1Br 482397616 UQUQJGWJQZGFRY-UHFFFAOYSA-N 438.278 4.081 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCN(c3cc(C)ccn3)CC2)cc1 484306392 RJMLUCBQPYHDAK-UHFFFAOYSA-N 448.479 4.062 5 20 IIBD CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 486712699 HOXHBDGCIMVQFK-CVEARBPZSA-N 427.526 4.123 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)Cc3ccc([S@@](C)=O)cc3)cc2[N+](=O)[O-])C1 488101512 VEDXRTZLXZJZSZ-AUOLZGSSSA-N 443.569 4.087 5 20 IIBD C[C@@H](CO)N(C[C@H](C)c1ccccc1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 489480004 OVEUAQZIYRBKHY-HOTGVXAUSA-N 425.510 4.345 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2CCC[C@@H](OCC3CC3)C2)c([N+](=O)[O-])c1 489944577 LHNUQVCDNJJSHU-GOSISDBHSA-N 438.480 4.008 5 20 IIBD CCOCCOc1ccc(Br)cc1NC(=O)CCc1cccc([N+](=O)[O-])c1 490233334 BMJNAVVXAYOFES-UHFFFAOYSA-N 437.290 4.344 5 20 IIBD COc1cc(C(=O)Nc2nnc(/C=C\c3ccco3)s2)c([N+](=O)[O-])cc1OC(F)F 490298931 HGYVQEDSLBHYES-PLNGDYQASA-N 438.368 4.072 5 20 IIBD COc1ccc(C(=O)[C@@H](C)Sc2nc3cc4ccccc4cc3c(=O)n2C)c(OC)c1 495394214 CTIQDQAXZARKBE-CQSZACIVSA-N 434.517 4.467 5 20 IIBD CCN(C(=O)COc1ccc([N+](=O)[O-])c(OC)c1)[C@@H](c1ccc(C)cc1)c1cccnc1 496576372 YWSHSJOQNNAXPO-DEOSSOPVSA-N 435.480 4.324 5 20 IIBD COC(=O)[C@H]1C[C@@H](OC)CCN1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 497145368 LHECIPIQOKVUIN-PKOBYXMFSA-N 434.876 4.193 5 20 IIBD COC(=O)c1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)n2)cc1 498246980 ZYEFTCGDUHJWEV-UHFFFAOYSA-N 449.391 4.359 5 20 IIBD COc1ccc(Oc2cc(CNC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)ccn2)cc1 498616818 AZPLLDTUKKRQAM-UHFFFAOYSA-N 432.436 4.062 5 20 IIBD Cn1cc(C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 499622094 XLUPTPHXPKIDAG-UHFFFAOYSA-N 431.408 4.093 5 20 IIBD CCCCC1CCC(C(=O)Nc2ccc(CNC(=O)c3c([N+](=O)[O-])cnn3C)cc2)CC1 501123419 CPWYNDUNPQCEJJ-UHFFFAOYSA-N 441.532 4.193 5 20 IIBD O=C(N=c1nc(Cc2ccccc2)[nH]s1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 503050020 NADXNSNHXCRBSW-UHFFFAOYSA-N 445.504 4.323 5 20 IIBD Cn1c([C@@H](NC(=O)CSc2ccccc2[N+](=O)[O-])c2ccccc2)nc2ccccc21 503128711 GVUUVMZTQHBEGD-QFIPXVFZSA-N 432.505 4.479 5 20 IIBD COc1cc(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1OC(F)F 504928519 CVQCFQDAQHUDFI-UHFFFAOYSA-N 438.402 4.439 5 20 IIBD CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)c1cc([N+](=O)[O-])n[nH]1 505169113 HXIAFMZZSJAZBX-UHFFFAOYSA-N 436.859 4.096 5 20 IIBD COCCOc1ccc(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)cn1 506783675 YIICLRNKTOLUTN-UHFFFAOYSA-N 446.510 4.183 5 20 IIBD COc1cc(CCNC(=O)Nc2ccc(Oc3ccccn3)cc2)c([N+](=O)[O-])cc1OC 506842477 JYKOPEKWAOOLRQ-UHFFFAOYSA-N 438.440 4.164 5 20 IIBD O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 508004148 XBCAWWDEYNLHPY-ZDUSSCGKSA-N 430.823 4.457 5 20 IIBD O=C(COc1c([N+](=O)[O-])cnc2ccc(Br)cc12)Nc1ccc(F)c(F)c1 508147338 DSMXPFGHPVESHJ-UHFFFAOYSA-N 438.184 4.201 5 20 IIBD Cc1ccc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c(OCC(F)(F)F)c1 510987688 WMGLAVPKTSLXNF-UHFFFAOYSA-N 438.406 4.198 5 20 IIBD COc1cccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)CC2)c1 514424987 RQAGUZKBTKIGRL-UHFFFAOYSA-N 433.464 4.358 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3cnccc3-n3cccn3)cc2[N+](=O)[O-])n1 517343393 AYLYVGFLXITWFJ-UHFFFAOYSA-N 438.494 4.344 5 20 IIBD O=C(Cc1coc(-c2ccc(Cl)cc2)n1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 517927206 NFHVIBHEMDDXRC-UHFFFAOYSA-N 429.816 4.246 5 20 IIBD CCCc1[nH]nc(C(=O)N[C@H](C)c2ccc(OCc3ccccc3)c(OC)c2)c1[N+](=O)[O-] 518335491 KLAZHIZOIFXWMD-OAHLLOKOSA-N 438.484 4.349 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1C 519201815 HZMYHZROJGHWOO-UHFFFAOYSA-N 445.541 4.139 5 20 IIBD COc1ccc(Cl)cc1C[C@H]1CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 524946087 WHYZQNOYKNGKLN-CQSZACIVSA-N 438.933 4.119 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)Nc1ccc(C(F)(F)F)nc1)c1ccccc1[N+](=O)[O-] 535613471 PDPHMJKQYTYHIN-AWEZNQCLSA-N 440.378 4.213 5 20 IIBD Cc1ccc2nc([C@H]3CCCN(CC(=O)Nc4ccc(Cl)cc4[N+](=O)[O-])C3)[nH]c2c1 537020327 QYXBPATVRKQCGS-AWEZNQCLSA-N 427.892 4.251 5 20 IIBD C[C@@H]1CN(CCOc2ccc(CCNC(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2)C[C@H]1C 537140488 INMVKRPCSGMERW-IAGOWNOFSA-N 445.947 4.187 5 20 IIBD CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 537200179 GDYGTJQAWAARFO-QVKFZJNVSA-N 431.464 4.063 5 20 IIBD O=C(NC1CCCCC1)N1CCC(N[C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 537974502 FKZBZWSVUFNPKR-PGRDOPGGSA-N 428.577 4.402 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccc(Cl)cc2)n[nH]1 542446189 FKAPSDWMRBHNRC-UHFFFAOYSA-N 433.877 4.024 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 543277546 IXRUHVBOLBYKKG-UHFFFAOYSA-N 438.415 4.317 5 20 IIBD CCc1ccc([C@H](NCc2cccc(OCC(=O)N(C)C)c2)c2ccc([N+](=O)[O-])cc2)o1 543407505 ZVFUZJHETFBIBH-XMMPIXPASA-N 437.496 4.096 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)cc1 543599730 YPFTVZVYRXTXKZ-GOSISDBHSA-N 428.432 4.128 5 20 IIBD COc1ccc([C@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2OC)c2ccc(F)cc2)cc1 544106863 FVMPMCJLFTWXLL-JOCHJYFZSA-N 439.443 4.340 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C 544219103 OSRSUMNBSCEXGN-UHFFFAOYSA-N 434.452 4.486 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1nc(-c2cc(Cl)ccc2O[C@@H]2CCOC2)no1 545077463 ALNRAJQCBUWHPV-CQSZACIVSA-N 430.848 4.121 5 20 IIBD CO[C@H](c1ccc(Br)cc1)c1noc(Cn2ccc3cc([N+](=O)[O-])ccc32)n1 546515306 RWGMQBLUGQWWOR-GOSISDBHSA-N 443.257 4.479 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCCC[C@@H]1c1cc[nH]n1 561332596 LNCUNALULWMOLW-MRXNPFEDSA-N 435.271 4.178 5 20 IIBD CC(C)Oc1ccc(CCNC(=O)COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 572440347 ZLLXWOGDONACSE-UHFFFAOYSA-N 426.391 4.139 5 20 IIBD CC(C)(c1nc(Cc2ccn(-c3c(F)cccc3F)n2)no1)c1ccc([N+](=O)[O-])cc1F 573405807 VNUKNEVJVQNWFW-UHFFFAOYSA-N 443.385 4.498 5 20 IIBD O=C1CC[C@@H](c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)c2ccccc21 579039700 QAGKHZRSJGHYGY-OAHLLOKOSA-N 428.242 4.440 5 20 IIBD COc1cc(C(=O)Nc2ccc(N(C(C)=O)[C@H]3C[C@@H]3C)cc2)c([N+](=O)[O-])cc1OC(F)F 579162476 RBDUAHFXRKCKLS-ZBEGNZNMSA-N 449.410 4.218 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CCC(c2ccc(F)c(F)c2)CC1 586827796 LOMIUYVMPBEKAM-UHFFFAOYSA-N 427.407 4.206 5 20 IIBD COCCN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H](C)c1cccc(C(F)(F)F)c1 603529807 DCYMXGOEIHHVQM-AWEZNQCLSA-N 426.391 4.229 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(-c3nncn3C)cc2)cc1 603738978 NTBUGZGTCQBRMV-UHFFFAOYSA-N 445.435 4.444 5 20 IIBD COc1ccc(Br)cc1C(=O)CCC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 604108145 KCHAQBWZTHSAHP-LBPRGKRZSA-N 435.274 4.206 5 20 IIBD C[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Oc2ccccc2)c(F)c1 604181770 WBDGEKDZSHAXEH-OAHLLOKOSA-N 437.427 4.133 5 20 IIBD CCOc1ccc(C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)no2)cc1[N+](=O)[O-] 604570404 PRIGSGPLOOWTBC-UHFFFAOYSA-N 427.432 4.492 5 20 IIBD CCCCOc1cccc(CNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 608804719 XKYRSSZRXWHZGD-JOCHJYFZSA-N 439.512 4.003 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCCCN3C[C@H](C)O[C@@H](C)C3)c([N+](=O)[O-])c2)cc1 608972419 IPPNRHBPVGBSGW-ROUUACIJSA-N 426.517 4.067 5 20 IIBD O=C(NCCNc1ccccc1[N+](=O)[O-])c1cc(Br)sc1Br 609722463 XXBZUPGMIVKCTO-UHFFFAOYSA-N 449.124 4.023 5 20 IIBD O=C(Nc1cccc(-c2n[nH]c3c2CCCC3)c1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609761897 JOVZBMFLDGKYFI-UHFFFAOYSA-N 429.436 4.370 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 609785730 KZSMHRBUGLVBJW-UHFFFAOYSA-N 435.823 4.230 5 20 IIBD CCCn1c(C)c(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2)c2cc(OC)ccc21 609885004 MTXHSUSNHBOJEC-UHFFFAOYSA-N 425.441 4.315 5 20 IIBD COc1ccc(Cl)cc1[C@@H](CC(C)C)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 610006647 VPADDGVYVQNWSU-GOSISDBHSA-N 426.922 4.464 5 20 IIBD Cc1ccccc1C1(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCCCC1 610117976 OYGQOONCYGFUHQ-UHFFFAOYSA-N 435.524 4.090 5 20 IIBD C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 611195076 ZRXIDSLLVHUVNP-AWEZNQCLSA-N 435.509 4.205 5 20 IIBD COC(=O)c1cc(NCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])ccc1Cl 611537296 QTWLLRMZDRKECE-UHFFFAOYSA-N 430.791 4.299 5 20 IIBD Cn1ccnc1[C@@H](N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1ccc([N+](=O)[O-])cc1 611560964 VOXLFXVBDTZMGV-XLIONFOSSA-N 445.445 4.305 5 20 IIBD CCOC(=O)c1ccc(CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])o1 619655631 XIKUKRZCLBRIJD-UHFFFAOYSA-N 426.450 4.446 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 725881463 WLDDYDZWRZKHCK-UHFFFAOYSA-N 427.675 4.404 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C 726510893 GXMCCGFCTQJJIH-UHFFFAOYSA-N 426.473 4.211 5 20 IIBD O=C(CN1CCCCCCC1)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1 727324782 ORIHQQXFSHNKKX-UHFFFAOYSA-N 428.464 4.191 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 727711964 SJGHLMCXNQCPHV-PDGQHHTCSA-N 436.815 4.132 5 20 IIBD O=C(OCc1ccccc1)[C@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 731584833 WFGNCOXKBGFDNI-LJQANCHMSA-N 437.477 4.066 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NCc1ccc(-c2cccc(C)c2)cc1 736168708 HXNXGRCNPPMRFZ-UHFFFAOYSA-N 434.448 4.087 5 20 IIBD COc1cc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)c(SC)cc1OC 741169227 DRYKRXQHMMFIEX-MLPAPPSSSA-N 434.857 4.332 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=O)c2sccc2-c2ccc(F)cc2)CC1 743855980 OYMYSJIYXXWORT-UHFFFAOYSA-N 445.497 4.122 5 20 IIBD CC[C@H](Cc1ccc(C)cc1)OC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 744258935 AIROVKMLDDQOAA-QGZVFWFLSA-N 426.498 4.361 5 20 IIBD Cc1cc(NS(=O)(=O)c2ccc(C(=O)C(C)(C)C)cc2)n(-c2ccc([N+](=O)[O-])cc2)n1 749157345 FKEXROVHZGMAGW-UHFFFAOYSA-N 442.497 4.119 5 20 IIBD CCCC(=O)Nc1ccc(C(=O)COC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 750966894 VDPNXURZQRIQCB-UHFFFAOYSA-N 449.257 4.136 5 20 IIBD Cc1onc(-c2cccc(Br)c2)c1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 751926313 CYLSQXKEYFSBLL-UHFFFAOYSA-N 445.225 4.360 5 20 IIBD Cc1cc(F)cc(C(=O)OCC(=O)Nc2ccc(N3CCCCCC3)cc2)c1[N+](=O)[O-] 752553960 OOKACNAPWOVCLY-UHFFFAOYSA-N 429.448 4.218 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 753365709 WWWYHQCEULEUKZ-JOCHJYFZSA-N 434.537 4.166 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)[C@H](OC(C)(C)C)c2ccccc2)c([N+](=O)[O-])c1 754313611 SHOOJANSPQIVMT-IFXJQAMLSA-N 430.457 4.030 5 20 IIBD Cc1cc(C)c(S(=O)(=O)N(Cc2ccccc2)C[C@@H](O)c2ccsc2)cc1[N+](=O)[O-] 755122431 RUXKIWWRPWKHSR-HXUWFJFHSA-N 446.550 4.198 5 20 IIBD CC[C@H]1CN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@@H]1NC(=O)OC(C)(C)C 756956179 VDICBHGTYGZYRW-LPHOPBHVSA-N 441.532 4.490 5 20 IIBD O=C(N[C@H](CCO)C1CC1)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 757086444 XPPHQZXYOAKINC-CQSZACIVSA-N 429.523 4.247 5 20 IIBD Cc1ccc([C@H]2C[C@H](OC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)CCO2)cc1 757516968 XWBJNWSUTNFHME-UYAOXDASSA-N 440.452 4.055 5 20 IIBD CSc1cc2c(cc1NC(=O)c1cccc([N+](=O)[O-])c1Br)OCCO2 758206795 KGWNFTTYRVVCPQ-UHFFFAOYSA-N 425.260 4.103 5 20 IIBD Cc1cc(F)cc(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)c1[N+](=O)[O-] 759289502 ZANIDVBPRPEOJD-UHFFFAOYSA-N 437.265 4.488 5 20 IIBD COCCCOc1cc(C)ccc1-c1noc([C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 762264907 KWTMTMBQEOZGLP-FQEVSTJZSA-N 438.440 4.234 5 20 IIBD CC(C)(C)OC(=O)NCc1ccc(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)o1 762310742 WTZNQBHSSBIBGZ-UHFFFAOYSA-N 439.428 4.335 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCC(CN(C)C(C)C)CC2)c1=S 765006893 AJPXVHFYGQOKLM-UHFFFAOYSA-N 432.594 4.019 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC2(CCC2)c2cc(Br)ccc21 765100415 WGUADTBSRBMTPW-UHFFFAOYSA-N 432.230 4.348 5 20 IIBD O=C(Nc1ccccc1)C(=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1ccccc1 766034080 QEFUJBOAXLRHCC-UHFFFAOYSA-N 432.392 4.164 5 20 IIBD CC[C@H](C(=O)N1CCC(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1)c1ccccc1 767171687 UEIHOZJDYZKCKC-SFHVURJKSA-N 429.904 4.163 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1 769048893 NENMAWIUMVJSNW-OAQYLSRUSA-N 436.420 4.154 5 20 IIBD CC(C)(C)OC(=O)N1Cc2ccc(C(=O)OCc3nc4cc([N+](=O)[O-])ccc4o3)cc2C1 769147470 HSTHBYRWDZIXGD-UHFFFAOYSA-N 439.424 4.344 5 20 IIBD COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)c1 769673687 SCLYCNPHDKOTDP-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD Cn1ccnc1COc1ccc(COC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 770155725 CDVFRGNDIGRTPE-UHFFFAOYSA-N 446.257 4.027 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(CN2CCCCC2=O)cc1 770328578 WSGPYXPGNOTJJG-UHFFFAOYSA-N 432.274 4.122 5 20 IIBD O=C(Nc1cccc(OCc2cn3ccccc3n2)c1)c1cc([N+](=O)[O-])c2nsnc2c1 771510206 TVERXOYIFGUUSP-UHFFFAOYSA-N 446.448 4.079 5 20 IIBD O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 776278597 UNWAFNJLCJYEMZ-QGZVFWFLSA-N 427.869 4.420 5 20 IIBD Cc1ccc(Br)c2c1N(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)CCC2 777255362 GALOGCIJYDNTNQ-UHFFFAOYSA-N 434.246 4.475 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1SC(F)(F)F 778177441 XVNCJDXKOOJXJG-UHFFFAOYSA-N 447.822 4.158 5 20 IIBD COc1cc(COC(=O)c2cc([N+](=O)[O-])ccc2Cl)c([N+](=O)[O-])cc1OCC(F)F 780059170 KAFKSKQOMYZVSX-UHFFFAOYSA-N 446.746 4.166 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H](O)c1cc2ccccc2s1 786323122 CJYNVYMGNYTTSB-OAHLLOKOSA-N 435.299 4.344 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Oc1ccc(-c2ncc3n2CCCC3)cc1 790420835 DWKVWEWADKGHOD-UHFFFAOYSA-N 433.873 4.216 5 20 IIBD C[C@@H]1C[C@@H](c2ccccc2)CN1CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O 795429934 VVHNFWDNNUQLOA-UKRRQHHQSA-N 430.302 4.149 5 20 IIBD CCOc1cc(N2CCC(OC(=O)C3(c4cccc(OC)c4)CC3)CC2)ccc1[N+](=O)[O-] 797059335 BVLDXCSSZYYWJU-UHFFFAOYSA-N 440.496 4.246 5 20 IIBD O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 798301769 GZZJRFSQRJGYRB-UHFFFAOYSA-N 426.241 4.129 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC(c2cccc(Br)c2)CC1 798420684 VOLOQHORFVKKPD-UHFFFAOYSA-N 439.331 4.145 5 20 IIBD O=C(COC(=O)c1ncccc1Oc1ccccc1)Nc1cc(Cl)ccc1[N+](=O)[O-] 799561081 UEDJONWQDMBZOJ-UHFFFAOYSA-N 427.800 4.231 5 20 IIBD COc1ccc2c(c1)CCCN(S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C2 809815262 SUDCKCUCAFYELQ-UHFFFAOYSA-N 431.297 4.047 5 20 IIBD C[C@H](OC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(=O)N(C)Cc1cccc(F)c1 811374384 HXQRTFXKMJZJEX-JTQLQIEISA-N 429.231 4.245 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1c1ccccc1Cl 812091665 SZNCPDBVWCZNJC-LJQANCHMSA-N 427.892 4.495 5 20 IIBD CCOc1ccc([C@@H](O)C2CCN(c3ccc(C(=O)NC(C)C)cc3[N+](=O)[O-])CC2)cc1 812481459 MJVKTHUQZXCEAB-HSZRJFAPSA-N 441.528 4.082 5 20 IIBD O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)C1CCC(OC[C@@H]2CCCO2)CC1 815347071 UCZZZOUFDRZNNE-GPANFISMSA-N 442.306 4.155 5 20 IIBD CC(C)c1ccc(CNc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)cc1[N+](=O)[O-] 863995461 WMQPSGYDWWLANY-UHFFFAOYSA-N 431.436 4.171 5 20 IIBD COc1ccc(CSCC(=O)Oc2ccc(Br)cc2F)cc1[N+](=O)[O-] 914713678 DEUVVZYXFKFTPQ-UHFFFAOYSA-N 430.251 4.344 5 20 IIBD CN(C(=O)c1cc2ccc(F)cc2s1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 916990507 JNFLTUFPIDLOFA-UHFFFAOYSA-N 428.850 4.063 5 20 IIBD COc1ccc(OC2CCN([C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CC2)cc1 917139588 ZMCWLKSLVYPYEO-CQSZACIVSA-N 433.892 4.127 5 20 IIBD O=C(COC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1)N[C@@H](Cc1ccccc1)c1ccccc1 917327507 DWYIWRWRBPBUPS-QFIPXVFZSA-N 443.459 4.333 5 20 IIBD O=C(NC1CC1)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)ccc1Cl 917719998 PRAOZNYERAEKLK-UHFFFAOYSA-N 442.903 4.383 5 20 IIBD Cc1nc(-c2ccc(NS(=O)(=O)c3cc(Br)ccc3[N+](=O)[O-])cc2)co1 917733679 CJUYOSJGYPJWIW-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD CC(C)(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccc(F)cc1 918627108 IVQAUTUZBJZEKL-JLTOFOAXSA-N 431.439 4.130 5 20 IIBD Cc1c(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cnn1C(C)(C)C 918633097 MOJZDUOFSJWFCY-GOSISDBHSA-N 442.516 4.097 5 20 IIBD O=[N+]([O-])c1ccc(CN[C@H](CO)c2ccc(Br)c(F)c2)c(Br)c1 1261224752 ZJGJBFJGAVNJDN-OAHLLOKOSA-N 448.086 4.082 5 20 IIBD COc1cc(C(=O)Nc2cc(C)nn2-c2cccc(C)c2)c([N+](=O)[O-])cc1OC(F)F 1317743330 PSJIXQDLQAAADX-UHFFFAOYSA-N 432.383 4.260 5 20 IIBD CC(C)(C)OC(=O)N[C@H](C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1)C1CCCCC1 1319127137 WDRAGLHMUJXTIT-SFHVURJKSA-N 433.461 4.253 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 1319904242 RWURBFIDIUVUDX-SGTLLEGYSA-N 434.290 4.159 5 20 IIBD COc1ccc(C(NC(=O)NCCc2ccccc2[N+](=O)[O-])c2ccc(OC)cc2)cc1 1322366789 YSUHCQYDSCJJLF-UHFFFAOYSA-N 435.480 4.243 5 20 IIBD COc1ccc(CSCc2nnc(Cn3c(C)nc4ccccc43)o2)cc1[N+](=O)[O-] 1326120997 DZTDBEJSVVVRHX-UHFFFAOYSA-N 425.470 4.126 5 20 IIBD CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])cc1F 1326764169 SRTYRJAFXUBZAV-UHFFFAOYSA-N 430.413 4.127 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Cc1cnc(-c2ccccc2)s1 1343905559 WOFRPNKACXITTM-UHFFFAOYSA-N 439.312 4.455 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])cc4F)CCC3)cc2)cn1 1787303276 SLMSJCRFTGEEMY-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3cccc(F)c3[N+](=O)[O-])cc2)CCC1)C1=COCCC1 1790698473 AYSWYPAJGJWTFQ-UHFFFAOYSA-N 439.443 4.176 5 20 IIBD O=C(/C=C/C1CCCC1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823615007 JXEDCWLLMFOZQX-RQMBKDMJSA-N 429.517 4.168 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 9231091 PBWNTAZDNCREMT-UHFFFAOYSA-N 431.876 4.328 5 20 IIBD CCOc1ccc(N2C(=O)c3ccc(C(=O)Nc4cccc([N+](=O)[O-])c4C)cc3C2=O)cc1 15661219 DFKCDFNTNXXKTD-UHFFFAOYSA-N 445.431 4.355 5 20 IIBD Cc1ccc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1[N+](=O)[O-] 17974183 VCSLALBEISOPPV-UHFFFAOYSA-N 429.782 4.286 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3cc(C)cc(C)c3)o2)c([N+](=O)[O-])c1 18587030 CJRKTAKGGAZIKN-CYBMUJFWSA-N 428.470 4.390 5 20 IIBD O=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccccc1[N+](=O)[O-] 26157910 JBNKVGHTOIMUMT-UHFFFAOYSA-N 444.535 4.331 5 20 IIBD CCOc1ccc(Br)cc1CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 64809343 HLSKDUPOOBQPGL-UHFFFAOYSA-N 448.317 4.020 5 20 IIBD COc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)N2CCOCC2)cc1 72027283 AINVYHWEFFTPHC-IBGZPJMESA-N 425.407 4.108 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1nnc(-c2ccccn2)s1 107997777 VDRYECYPULTNKE-UHFFFAOYSA-N 441.416 4.258 5 20 IIBD NC(=O)c1ccc(SCC(=O)Nc2ccc(NC3CCCCC3)cc2)c([N+](=O)[O-])c1 109890055 RWRWCKZEGBOAEY-UHFFFAOYSA-N 428.514 4.169 5 20 IIBD CCOc1ccccc1-c1nnc(SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)o1 261429230 JMYVREPUOXLVTL-UHFFFAOYSA-N 442.453 4.134 5 20 IIBD Cc1cc(N2CCC(Nc3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])CC2)nc(C)n1 301516497 CBJPRLNCMPBDLV-UHFFFAOYSA-N 440.382 4.010 5 20 IIBD CS(=O)(=O)c1cc(C(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)cc([N+](=O)[O-])c1 303066638 YZGQSAYANPGSEH-FQEVSTJZSA-N 444.896 4.171 5 20 IIBD COc1ccc(C[C@@H](C)CNC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1OC 409536780 RIRFWCWBHWJFEQ-SNVBAGLBSA-N 443.319 4.045 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NC[C@@H]3CCCN(C(C)C)C3)cc2[N+](=O)[O-])n1 409992695 NTEDTSLEKXZZAH-HNNXBMFYSA-N 434.587 4.361 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])NC[C@H](c1ccccc1)N1CCc2sccc2C1 410160684 YWUBOBFIHZQXTI-OAQYLSRUSA-N 436.537 4.255 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1I 426846331 UTNGWNANYAUPOJ-UHFFFAOYSA-N 432.214 4.069 5 20 IIBD COc1ccc(Br)c(CN(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 429285045 FPJBWRMDJVCZHD-UHFFFAOYSA-N 433.262 4.048 5 20 IIBD Cn1ccnc1Sc1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 429949502 OBHNREBOXVCYDM-UHFFFAOYSA-N 433.287 4.494 5 20 IIBD O=C(O)C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)c(F)c1 431802382 WXHBPROHZCJOPG-CYBMUJFWSA-N 447.271 4.465 5 20 IIBD CCN(CC)CCOc1ccccc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 432215766 JPLWOVQQMAWBFS-UHFFFAOYSA-N 436.306 4.330 5 20 IIBD COc1ccccc1-c1noc(C2CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)CC2)n1 432437588 RNVRVMKHOVQKHG-UHFFFAOYSA-N 447.451 4.155 5 20 IIBD Cc1ccc(N2CCC(NC(=O)Nc3cc(Br)cc([N+](=O)[O-])c3C)CC2)nc1 435324251 UVAVNVFCGPZQSS-UHFFFAOYSA-N 448.321 4.160 5 20 IIBD O=C(Nc1ccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1)NC1CC1 435950943 UMIATLSCGVOHCN-UHFFFAOYSA-N 430.439 4.357 5 20 IIBD COc1ccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1N1CCCCC1=O 436115099 NBPQYKFMYWQSRO-UHFFFAOYSA-N 441.487 4.459 5 20 IIBD Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cc1S(C)(=O)=O 436230163 VHFCOTGEABHUQF-UHFFFAOYSA-N 440.477 4.029 5 20 IIBD C[C@H](CO)NC(=O)c1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 437241714 SVKOOCYCUDMHNA-CYBMUJFWSA-N 429.860 4.231 5 20 IIBD Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 437467566 NHZNCXODXRSCBS-URXFXBBRSA-N 437.540 4.404 5 20 IIBD COc1cc(C(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OC(F)F 438461038 NTWYZHFIXJDRDC-NXEZZACHSA-N 426.338 4.303 5 20 IIBD Cc1ccnc(-c2cccc(NS(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])c2)n1 438780668 RZDDQBZEKNLLGM-UHFFFAOYSA-N 439.280 4.468 5 20 IIBD CCOc1cc(NC(=O)Nc2ccc3oc(CCOC)nc3c2)c([N+](=O)[O-])cc1OCC 440241555 LRSWWNWYJGDZFQ-UHFFFAOYSA-N 444.444 4.366 5 20 IIBD Cc1ccc(CN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccc3nc(O)[nH]c3c2)cc1 440734921 HWUREWJNTLBXLC-UHFFFAOYSA-N 445.479 4.439 5 20 IIBD CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 441952865 NBUFQHBPOPQICN-CQSZACIVSA-N 436.898 4.064 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N[C@H](COc1ccccc1)c1ccccc1 445079212 FZSQZIIMJYKUBT-OAQYLSRUSA-N 431.452 4.091 5 20 IIBD COc1cc(Cc2noc(-c3ccn(-c4ccc(Cl)cc4)n3)n2)c([N+](=O)[O-])c(OC)c1 445818720 MTCNZEXRSOUXPG-UHFFFAOYSA-N 441.831 4.092 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N3CCCC[C@H]3C[C@@H](C)O)c([N+](=O)[O-])c2)c(C)c1 447812004 PVIWIDRYBAERFW-MSOLQXFVSA-N 447.557 4.142 5 20 IIBD CCNc1ccc(C(=O)N2CCN([C@H](CC)c3ccc(F)cc3F)CC2)cc1[N+](=O)[O-] 460558632 PTBMUCQSAALTII-HXUWFJFHSA-N 432.471 4.214 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc(Br)cc2c1OCC2 462208409 JCGBTLMHWSBQGN-LLVKDONJSA-N 437.315 4.089 5 20 IIBD COc1ccccc1-c1ccc([C@@H](C)NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 462488820 CMIQPWRNVFDFMU-CQSZACIVSA-N 430.457 4.449 5 20 IIBD COc1cc(COc2ccccc2NC(=O)COc2ccccc2)c([N+](=O)[O-])cc1F 463427098 AMXLHZIFPHQDJN-UHFFFAOYSA-N 426.400 4.339 5 20 IIBD C[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)Oc1cccc(Br)c1 464691001 MYKYGQFANLFHON-GFCCVEGCSA-N 425.304 4.033 5 20 IIBD CCC1(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CCN(C(=O)c2ccccc2)CC1 466273789 SIQWTPYAGMPULM-UHFFFAOYSA-N 429.904 4.197 5 20 IIBD COc1ccc2c(c1)[C@@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CCO2 466506832 SPYSHXRUXFSEAL-HNNXBMFYSA-N 439.390 4.064 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(C)cc2OC[C@H]2CCCO2)cc1SC 466639510 AFWXAHBELSQLLC-MRXNPFEDSA-N 446.525 4.122 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CCC(=Cc2ccc(F)c(F)c2)CC1 469871354 RMPWZVQNGTZWBB-UHFFFAOYSA-N 443.450 4.029 5 20 IIBD COc1cc(C(=O)NCc2cccc(C)c2Br)c([N+](=O)[O-])cc1OC(F)F 469933581 DXXZCUMZIGOJDN-UHFFFAOYSA-N 445.216 4.206 5 20 IIBD COc1ccccc1-c1nc(C2CCN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)CC2)no1 470143788 XOBYFOGBDKZXLL-UHFFFAOYSA-N 441.419 4.204 5 20 IIBD C[C@@H]1OCC[C@]12CN(C(=O)c1cccc(Sc3ccc(Cl)cc3)c1[N+](=O)[O-])CCO2 470669533 KSCHPXVKMJSTRV-QKKBWIMNSA-N 448.928 4.419 5 20 IIBD CCc1ccc(C(=O)Nc2ccc(F)c(NS(=O)(=O)c3cccs3)c2)cc1[N+](=O)[O-] 471823293 XMXFOQVVBYUTNQ-UHFFFAOYSA-N 449.485 4.411 5 20 IIBD O=C(c1cc2sccc2s1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 473634415 UDBCTHOEWGQRCF-UHFFFAOYSA-N 435.914 4.123 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H]1c2ccccc2CC[C@@H]1n1ccnc1 473993846 WUCXUEBMXZBSHS-HKUYNNGSSA-N 443.410 4.443 5 20 IIBD CC(C)c1[nH]nc(C(=O)N2CCSC[C@H]2c2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] 474665586 NHYMRACKIXCBLT-ZDUSSCGKSA-N 428.436 4.390 5 20 IIBD C[C@H]1CCCN(C(=O)C2CCN(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)C1 475202646 KHFQIAINONRHIR-ZDUSSCGKSA-N 442.438 4.116 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(Cl)cc2Br)cc1[N+](=O)[O-] 478959694 UEYJWNCNUGMVBD-SNVBAGLBSA-N 440.681 4.135 5 20 IIBD CO[C@@H](c1ccccc1Cl)[C@H](C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 479680441 XOIPBUYJWWYCME-YCRPNKLZSA-N 431.920 4.357 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N[C@@H](C)C(=O)Nc2ccccc2)c([N+](=O)[O-])c1 480507937 DGTDMDUULKBENN-HNNXBMFYSA-N 447.447 4.052 5 20 IIBD CS(=O)(=O)c1ccc(N[C@H](c2cc(F)cc(Br)c2)C2CC2)c([N+](=O)[O-])c1 480508865 JFVSCRPVSCGTEC-KRWDZBQOSA-N 443.294 4.463 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](c1cc(F)cc(Br)c1)C1CC1 481745254 RVSPFWWUOOCCME-IBGZPJMESA-N 436.281 4.484 5 20 IIBD COc1cc(C(=O)NCCc2c[nH]c3cc(Cl)cc(Cl)c23)c([N+](=O)[O-])cc1OC 482055956 NNSNQJGGFRUQNF-UHFFFAOYSA-N 438.267 4.373 5 20 IIBD COc1cc(-c2nnc(Sc3ccc4ncccc4c3[N+](=O)[O-])o2)cc(OC)c1OC 485869931 MAEFLGPQJBQIHB-UHFFFAOYSA-N 440.437 4.370 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1coc(-c2ccc(C)cc2)n1 486163548 HRQYOZAGWNEUNA-UHFFFAOYSA-N 441.509 4.269 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccc(Cl)c3)n2C)c([N+](=O)[O-])c1 488893719 BNZJXECWOOOATC-LLVKDONJSA-N 447.904 4.172 5 20 IIBD O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 489185153 NTNOSHVGHTZVHI-UHFFFAOYSA-N 429.404 4.234 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1ccc(I)cc1 489907160 CUYUFODTSPTHJE-UHFFFAOYSA-N 438.265 4.179 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc([N+](=O)[O-])c1 491196870 CKHSKOSAAFDPLA-AWEZNQCLSA-N 443.525 4.127 5 20 IIBD CS(=O)(=O)c1cccc([C@H](NCCc2ccccc2[N+](=O)[O-])c2ccc(F)cc2)c1 493276209 HEDZROZJSJXLTF-JOCHJYFZSA-N 428.485 4.059 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cccc(NS(=O)(=O)Cc2ccccc2)c1 494430839 NOMFIDOUISVHSE-UHFFFAOYSA-N 426.454 4.181 5 20 IIBD CC(C)[C@@H](NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccccc1Cl 497962653 IJHYBXAGOFQOLZ-HXUWFJFHSA-N 429.904 4.253 5 20 IIBD O=C(NC1(Cc2ccc(F)cc2)CCOCC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 499195503 QXVPSOIFSQCCIZ-UHFFFAOYSA-N 441.484 4.379 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(OC)ccc2Br)cc1OC 503495138 YHSMAPWOTRTDSM-UHFFFAOYSA-N 425.235 4.026 5 20 IIBD CCOc1ccc([C@H](C)NCc2ccccc2S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] 504896642 YYRCDGVJXDRYDK-KRWDZBQOSA-N 447.557 4.019 5 20 IIBD NC(=O)c1ccc(SCC(=O)N(Cc2ccsc2)c2ccccc2)c([N+](=O)[O-])c1 505325995 KUAMVHCAYMWLJG-UHFFFAOYSA-N 427.507 4.081 5 20 IIBD CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] 505571370 YSKXIJOMUPZZGC-UHFFFAOYSA-N 441.406 4.091 5 20 IIBD C[C@H]1CCCCN1C[C@H]1CCCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 505936368 UNKVYVNJOXJOGL-JKSUJKDBSA-N 443.466 4.263 5 20 IIBD O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 505939704 VXUCLZQWWOTVNX-HSZRJFAPSA-N 434.471 4.355 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)NCCc2cc3ccccc3s2)cc1[N+](=O)[O-] 506657962 WBEHNZIGRSEVBT-UHFFFAOYSA-N 439.522 4.062 5 20 IIBD O=[N+]([O-])c1ccc(COc2c(Br)cc(CCO)cc2Br)cc1 506721224 XOXBRUIIPFEBDX-UHFFFAOYSA-N 431.080 4.234 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)Cc1ccc(OCC(F)(F)F)cc1 511126765 QOPCUJXXJWEJML-CYBMUJFWSA-N 441.406 4.004 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[C@@H]2CCCC[C@@H]21 512699069 IFXFMWXUMTYNQI-NKFCBESUSA-N 428.270 4.159 5 20 IIBD C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1=O 513481272 AMNIGRVJDHZYQF-VBKZILBWSA-N 445.466 4.019 5 20 IIBD CCOC(=O)[C@H](c1ccc(Cl)cc1)N(CC)C(=O)c1ccc(OCC)c([N+](=O)[O-])c1 514523881 AQKTYYWENXRZRU-IBGZPJMESA-N 434.876 4.413 5 20 IIBD Cc1cc(Sc2ccccc2)ccc1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 516263917 UFCNCWWAWPAUEF-UHFFFAOYSA-N 447.472 4.289 5 20 IIBD Cc1cc(N2CCCN(Cc3nccn3C(C)C)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] 516943976 VNOHLQMQCJXRMC-UHFFFAOYSA-N 425.455 4.412 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 519029229 CSTXROCUASLOSP-OAHLLOKOSA-N 447.333 4.025 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CCCC[C@@H]2Cc2ccccc2)cc1[N+](=O)[O-] 523280134 HOXDDYDIBSEISZ-GOSISDBHSA-N 437.525 4.112 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 523458384 AZUOQHRYSFFUPX-UHFFFAOYSA-N 428.857 4.364 5 20 IIBD CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 524212024 BHDQWKBKEJYCCV-JOCHJYFZSA-N 448.523 4.051 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)c1C 524298231 YUVYHNKTCOAJQG-UHFFFAOYSA-N 439.465 4.338 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1cccc2c1CN(CCC(C)C)C2 524406545 KMLANXARZOTFLX-MRXNPFEDSA-N 426.517 4.404 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N2C[C@@H](C)S[C@H](C)C2)c([N+](=O)[O-])c1 524684857 YUAUOLWUABYMPE-HZPDHXFCSA-N 435.571 4.140 5 20 IIBD COc1ccc(NC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1Cc1ccccc1 526103162 PJKQFPUCNLOAHB-UHFFFAOYSA-N 433.464 4.388 5 20 IIBD CCN([C@H](c1cccnc1)c1ccc(F)c(C)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 531189961 HJYUPHNUJSWXER-NRFANRHFSA-N 429.473 4.238 5 20 IIBD CC(C)[C@H](NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)c1nc(-c2nc[nH]n2)no1 533104254 GYZWJDKJDMQBCR-IBGZPJMESA-N 448.487 4.018 5 20 IIBD COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 533952737 BOOBAFRFRFAYBR-UHFFFAOYSA-N 446.412 4.114 5 20 IIBD Cn1c([C@@H]2CCCCN2C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)nc2ccccc21 534274962 OFWPNDRYINFNRQ-NRFANRHFSA-N 430.468 4.035 5 20 IIBD CCOC(=O)c1sc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)nc1C(C)C 534591173 OJLPONWIEPWSKJ-UHFFFAOYSA-N 443.485 4.004 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cc2c(cc1Cl)OCO2 534617567 UBBLBOZODBPYPL-UHFFFAOYSA-N 425.633 4.085 5 20 IIBD C[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1nc(-c2ccccc2)no1 534836325 LLQXYPIKWYQRDU-KRWDZBQOSA-N 438.487 4.125 5 20 IIBD O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CCC(c2ccccc2)CC1 535023765 FUPRDRQSGQCCLC-UHFFFAOYSA-N 436.249 4.219 5 20 IIBD COc1cccc(Oc2ncccc2CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 535385868 UXJYLBTVWPKSIJ-UHFFFAOYSA-N 432.436 4.131 5 20 IIBD CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 536517827 ATHVKEHTVDKZPN-UHFFFAOYSA-N 436.468 4.353 5 20 IIBD Cc1cc(NC(=O)[C@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)ccc1[N+](=O)[O-] 537452515 UXNDTELVAMXRRR-LBPRGKRZSA-N 432.527 4.491 5 20 IIBD COc1cc(CN2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC 538798459 GGDRPCZDCGGKMB-PZJWPPBQSA-N 425.529 4.099 5 20 IIBD CCN1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 539892127 YFWFBVBBTQAIGY-IRLDBZIGSA-N 425.529 4.241 5 20 IIBD CN(C(=O)CN[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 540520702 ITPRUGLBUPDAEH-MRXNPFEDSA-N 435.324 4.470 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CCC(CN2CCOCC2)CC1 541693480 JAYFLTUBDLTWDX-UHFFFAOYSA-N 447.601 4.062 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])NCc1cccc(NC(=O)c2cccc(F)c2)c1 542213113 PBDUQVGUIVYZNY-UHFFFAOYSA-N 439.468 4.395 5 20 IIBD O=[N+]([O-])c1cnc(N[C@H](CCO)c2ccccc2Br)c(Br)c1 543790631 VQDBAOMUQKGEIU-CYBMUJFWSA-N 431.084 4.050 5 20 IIBD O=C(CCc1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1)c1ccc(F)cc1 545013970 STVFUZMXTCWSIT-UHFFFAOYSA-N 434.221 4.286 5 20 IIBD CC(C)(C(=O)Nc1n[nH]c(-c2ccccc2Br)n1)c1ccc([N+](=O)[O-])cc1F 545110862 XUHPKTLKKXYZIH-UHFFFAOYSA-N 448.252 4.198 5 20 IIBD CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C 545133460 UBRBQJXNZUUSGW-ZIAGYGMSSA-N 440.525 4.475 5 20 IIBD O=[N+]([O-])c1cccc(Oc2ccc(-c3noc(CS(=O)(=O)C4CCCC4)n3)cc2)c1 546472667 MGAHUBCBTXCJHT-UHFFFAOYSA-N 429.454 4.295 5 20 IIBD C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](c1ccc(Cl)cc1)c1ccn(C)n1 546575779 OZZWOOYQEDUGHA-LHSJRXKWSA-N 427.892 4.078 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(Cc3nc(C(C)C)no3)cc2)c1 549554519 KSWUGPTWNBJDTA-UHFFFAOYSA-N 430.486 4.110 5 20 IIBD Cc1ccc(-c2cncc(F)c2)cc1NC(=O)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 549717461 VCNKMYPPVUSFDL-OAHLLOKOSA-N 436.443 4.229 5 20 IIBD Cc1cc(OCC(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)ccc1[N+](=O)[O-] 549913390 LMMKTVDZMOUKGL-UHFFFAOYSA-N 437.427 4.241 5 20 IIBD COc1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1OC(F)F 550050035 ZCTKKPHAHJZDHO-UHFFFAOYSA-N 434.317 4.196 5 20 IIBD O=[N+]([O-])c1cnc(N[C@@H](c2cncc(Br)c2)C2CC2)c(Br)c1 557689847 DDYBILQZNKTGDR-CYBMUJFWSA-N 428.084 4.473 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnn(S(=O)(=O)c3cccc(Br)c3Cl)c2)c1 560061899 QZWRLNWWNFHMSZ-UHFFFAOYSA-N 442.678 4.111 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N3CCC[C@H]3[C@@H]3CCCO3)c([N+](=O)[O-])c2)c(C)c1 561320017 MGNIFOUUWXCPSJ-UNMCSNQZSA-N 445.541 4.160 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1-c1nc(-c2nccc3[nH]ccc23)no1 564282424 JRFOPWIRKYQGTO-UHFFFAOYSA-N 447.192 4.101 5 20 IIBD CC(C)[C@@H](NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(Cl)cc1F 566758957 RFKNMIUJEZFJEX-HXUWFJFHSA-N 447.894 4.392 5 20 IIBD O=C(N1CCc2sccc2C1)N1CCC[C@H](c2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 577566650 XQTPSKSJDCFYTR-INIZCTEOSA-N 439.497 4.064 5 20 IIBD Cc1ccc(-c2noc(-c3cccc([N+](=O)[O-])c3N3CCOCC3)n2)c(Br)c1 582326462 DFCKQSYSFOHRPC-UHFFFAOYSA-N 445.273 4.219 5 20 IIBD C[C@H](C(=O)Nc1ccnn1Cc1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 583358820 IMOYCFSNBUKFBY-ZDUSSCGKSA-N 429.274 4.344 5 20 IIBD O=C(c1cc(C(=O)N2CCC3(CCC3)CC2)cc([N+](=O)[O-])c1)N1CCC2(CCC2)CC1 588023496 KWINOOGUVCAXHS-UHFFFAOYSA-N 425.529 4.407 5 20 IIBD CSc1cccc(-c2nc(CC(=O)Nc3ccccc3Br)no2)c1[N+](=O)[O-] 589147901 VUAQXRWKFWLIQD-UHFFFAOYSA-N 449.286 4.310 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(N(C(C)=O)[C@@H]3C[C@@H]3C)cc2)c([N+](=O)[O-])cc1OC 590530145 OBPNZKHLNSOMGS-SCLBCKFNSA-N 427.457 4.016 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nnc(-c2ccc(OC(F)F)cc2)o1 594669790 IUOFJSVNHXCETK-UHFFFAOYSA-N 436.396 4.285 5 20 IIBD COc1ccc(C(=O)Nc2ccc(Oc3ccc(S(C)(=O)=O)cc3)cc2)cc1[N+](=O)[O-] 608809666 MEEFFUVWRWESDG-UHFFFAOYSA-N 442.449 4.052 5 20 IIBD COc1cc(C(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)c([N+](=O)[O-])cc1OC 608943496 OOXSTYFAJFPYAA-UHFFFAOYSA-N 439.443 4.031 5 20 IIBD C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 609851688 LLHHQRKASMDERX-AAEUAGOBSA-N 441.340 4.490 5 20 IIBD O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCCN(C[C@H]2CCCO2)CC1 610859072 YKSAXIWXRBODDB-HXUWFJFHSA-N 441.553 4.073 5 20 IIBD CCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1OCC 610954038 GCCKMAWBKTYYKJ-UHFFFAOYSA-N 434.392 4.212 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1 613175134 OOQDZLBYVFXGKV-HXUWFJFHSA-N 445.519 4.301 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCOC[C@H]1c1c(C)nn(-c2ccccc2)c1C 615038852 BJEXRYCFTWOZOV-NRFANRHFSA-N 435.484 4.311 5 20 IIBD C[C@@H](C(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1)c1cccc([N+](=O)[O-])c1 617766044 DYAHOPFWRQEHFP-XIKOKIGWSA-N 437.265 4.200 5 20 IIBD O=C(CCNC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] 619705883 RRHNTWRXUOMJHL-GHMZBOCLSA-N 427.345 4.423 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]1c1cccc(F)c1 619773151 HGPKWJLNGRPXEE-INIZCTEOSA-N 440.212 4.234 5 20 IIBD CCN(Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1)C(C)C 726054965 WWTCDICQQJYYAG-HNNXBMFYSA-N 431.464 4.148 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(CC[C@H](O)c2ccccc2)c1 727363647 YGDQVQQQCZQCAJ-FQEVSTJZSA-N 442.493 4.070 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])cn1)O[C@@H](Cc1ccccc1)c1ccc(Br)cc1 727965361 STNWKMHBODMICE-SFHVURJKSA-N 430.258 4.081 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C(=O)Nc2ccccc2F)C(C)C)cc1SC 728648963 CTZDQPYAKAJMRN-GOSISDBHSA-N 436.461 4.285 5 20 IIBD CC(C)c1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)NC(=O)OC(C)(C)C)cc1 728884980 XINWXWKXIFCTLB-SFHVURJKSA-N 430.505 4.053 5 20 IIBD COc1ccc([C@H](OC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)n2cccn2)cc1 729801472 BHQSKQVPBPERFD-OPAMFIHVSA-N 447.451 4.145 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CN3CCC([C@@H](O)c4ccc(Cl)cc4)CC3)n2)c1 731482042 LEDGUGHIDXGCCQ-FQEVSTJZSA-N 428.876 4.244 5 20 IIBD NC(=O)c1ccc(COC(=O)[C@@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1 732587717 SAPUNXYWMMRRTA-FGZHOGPDSA-N 446.459 4.120 5 20 IIBD CCn1cc(C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cn1 734044337 YHZHVYPSOJHRDF-SFHVURJKSA-N 428.832 4.001 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1Cl)C1CCN(C(=O)c2ccc(F)cc2F)CC1 734782056 LZNSAKOIGNXYAY-UHFFFAOYSA-N 438.814 4.122 5 20 IIBD O=c1ccc2cc(S(=O)(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)ccc2o1 735267878 KZPHPKFRJWWNOI-UHFFFAOYSA-N 438.417 4.294 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)CCCNC(=O)OC(C)(C)C)cc2[N+](=O)[O-])C1 736044014 NIDNBBLCTDBXQN-CALCHBBNSA-N 448.564 4.064 5 20 IIBD O=C(CCSc1ccc2c(c1)OCCO2)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 737570828 RVZKLAZKRLZPEF-UHFFFAOYSA-N 442.449 4.247 5 20 IIBD CN1C(=O)CC[C@H](COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc(Cl)c1 740599402 STZAXAQQFHGHFH-NDFTWLSWSA-N 428.872 4.414 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N2CCC[C@H]3CCC[C@@H]32)cc1 741984784 KZMNBIAJJTWXTK-UZLBHIALSA-N 444.509 4.076 5 20 IIBD Cc1ccc(N2CCC[C@H](NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)C2)cc1 742015529 BTKIPYDJJGGMIJ-FQEVSTJZSA-N 425.532 4.248 5 20 IIBD O=C(Nc1nc2ccc(Br)cc2[nH]1)c1cc([N+](=O)[O-])ccc1N1CCCC1 742890583 DHFGLYNKQDCFJN-UHFFFAOYSA-N 430.262 4.086 5 20 IIBD C[C@H](OC(=O)CCOc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)c(Cl)c1 744732249 STYBBKKFXKTJQB-NSHDSACASA-N 427.240 4.241 5 20 IIBD O=C(Nc1ccc(OC(=O)[C@@H](O)c2ccccc2)cc1)c1cc([N+](=O)[O-])ccc1Cl 746106242 IPPBIQVXBMLELT-IBGZPJMESA-N 426.812 4.140 5 20 IIBD C[C@H](OC(=O)c1cccc(N2CC=CC2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 747712046 BOPMTDAVCWGVQA-ZDUSSCGKSA-N 449.385 4.174 5 20 IIBD O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1 750094608 DMGUNAHXGPYELZ-LPHOPBHVSA-N 428.876 4.211 5 20 IIBD COc1ccc(C(=O)[C@@H](C)OC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 751634493 KROILRMWPXIGQM-LLVKDONJSA-N 439.873 4.172 5 20 IIBD CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)OCc1nc3cc([N+](=O)[O-])ccc3o1)O[C@@H](C)C2 751662809 NKLINSLKOZZACG-NUTKFTJISA-N 438.436 4.305 5 20 IIBD O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@@H](OCCCc2ccccc2)C1 752062596 RYWMDTJNZZYLAB-QGZVFWFLSA-N 433.302 4.221 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(N(C)Cc3ccccc3)cc2)cc1[N+](=O)[O-] 752133105 AUHVOGHHRTUKKE-GOSISDBHSA-N 446.507 4.356 5 20 IIBD CCc1noc(-c2ccc(C)c(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3Cl)c2)n1 753083923 RZQHWOZAJFRNFE-UHFFFAOYSA-N 436.877 4.278 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)Nc1ncc(Cl)cc1Cl 754990009 SIYSNNHBIDXLBX-ZCFIWIBFSA-N 436.610 4.273 5 20 IIBD O=C(OCc1nnc(-c2ccc(Br)o2)o1)c1cc([N+](=O)[O-])cc(Cl)c1F 754990633 SGDSBHNTJZATGD-UHFFFAOYSA-N 446.572 4.150 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cccc1[N+](=O)[O-] 755097582 CTODKOTVNRRAMV-SNVBAGLBSA-N 441.318 4.014 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)OCC(=O)Nc1ccc(Cl)cc1C(F)(F)F 755678936 VXNMUDFXJJUVAX-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD CN(C(=O)COC(=O)CCC(=O)c1cc(Cl)sc1Cl)c1ccc([N+](=O)[O-])cc1 756608037 IEEBQKNVNFFMJX-UHFFFAOYSA-N 445.280 4.132 5 20 IIBD O=C(CN1CCCCCCC1)Nc1ccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1 757640433 YHDRWZKAYAFGJR-UHFFFAOYSA-N 428.464 4.191 5 20 IIBD CN(C(=O)COC(=O)c1ccc(F)cc1[N+](=O)[O-])[C@@H](c1ccccc1)c1ccc(F)cc1 758113468 FPQKPGYMEQBISZ-QFIPXVFZSA-N 440.402 4.278 5 20 IIBD COC(=O)c1ccccc1CCC(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 758154979 GDCVIXXMQRJMDW-UHFFFAOYSA-N 448.431 4.172 5 20 IIBD CCCN(CCC)C(=O)c1cccc(C(=O)O[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 759948515 MMICWDUTCQYZJM-VQTJNVASSA-N 442.516 4.394 5 20 IIBD CC(=O)N(c1ccc(C)c(C)c1)c1nc(COC(=O)c2ccc([N+](=O)[O-])n2C)cs1 761062697 YNTOKYYBZVTREJ-UHFFFAOYSA-N 428.470 4.048 5 20 IIBD C[C@H](OC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 761488803 BEWLJGIQYVETEX-IRXDYDNUSA-N 446.459 4.500 5 20 IIBD COc1cc(F)c(NCc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])cc1OC 763510506 MYCBOSSBJGLUQT-UHFFFAOYSA-N 434.342 4.313 5 20 IIBD CCc1ccc(NC(=O)c2nnc(COC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)s2)cc1 763720391 FGDAPNBFLCTQJE-UHFFFAOYSA-N 446.872 4.271 5 20 IIBD CCOc1cc(NC(=O)NC[C@@](C)(O)c2ccccc2Cl)c([N+](=O)[O-])cc1OCC 765112924 IPVWWYMKDUXJBB-HXUWFJFHSA-N 437.880 4.075 5 20 IIBD CSc1ccc(C(=O)N2CCC(O)(c3ccccc3C(F)(F)F)CC2)cc1[N+](=O)[O-] 765615782 FEOPWTGSGBPSLL-UHFFFAOYSA-N 440.443 4.459 5 20 IIBD O=C(OCCc1cccc(OC(F)(F)F)c1)c1cc(Br)ncc1[N+](=O)[O-] 769837275 POCHRUPAKDQMTC-UHFFFAOYSA-N 435.152 4.050 5 20 IIBD O=C(Nc1nc2c(s1)CCN(Cc1ccccc1)C2)C(F)(F)c1ccc([N+](=O)[O-])cc1 777942203 JXIZCWJYGNSOHT-UHFFFAOYSA-N 444.463 4.340 5 20 IIBD CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 778899827 PLIZLEWRZZURFF-UHFFFAOYSA-N 428.441 4.366 5 20 IIBD C[C@H](CO)N(CC1CCC1)C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 779569358 BWKWZGCNBSFHFP-CQSZACIVSA-N 445.903 4.124 5 20 IIBD CC[C@H](C)[C@@H](C)C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 779728812 WZYDXARMUWBYSY-AWOYWQDDSA-N 439.921 4.083 5 20 IIBD O=C(OCc1noc(-c2ccc(F)cc2F)n1)c1cccc([N+](=O)[O-])c1Br 781206306 JWPNEKJJFZWPBB-UHFFFAOYSA-N 440.156 4.043 5 20 IIBD CN(C)C(=O)Sc1cccc(COC(=O)c2cccc([N+](=O)[O-])c2Br)c1 781676399 QXRYXVJYTUNFKD-UHFFFAOYSA-N 439.287 4.488 5 20 IIBD Cc1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)s1 783310197 DAXAEDVOGAESDL-UHFFFAOYSA-N 433.873 4.379 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 784101616 GVDBYKMCNCVKNU-STQMWFEESA-N 443.953 4.102 5 20 IIBD CC(C)c1ccc(C(=O)O[C@@H](C(N)=O)c2ccc(Br)cc2F)cc1[N+](=O)[O-] 784258959 MNHUUDQNUIVBGF-MRXNPFEDSA-N 439.237 4.003 5 20 IIBD Cn1ccnc1[C@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 790512600 UNYIWQSBEBBEIY-GOSISDBHSA-N 437.258 4.223 5 20 IIBD COc1ccccc1NC(=O)[C@@H](OC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(C)C 790745883 LKUQIRQQIDJGOA-IBGZPJMESA-N 438.839 4.145 5 20 IIBD Cc1nn(CN2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)c2ncc([N+](=O)[O-])cc12 793587691 IRCNFAWJGZUEDA-XIKOKIGWSA-N 435.406 4.086 5 20 IIBD O=C(NC[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1)OCc1ccccc1 795607766 VVFAJBHPGBEFGF-MRXNPFEDSA-N 431.876 4.027 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 799426643 DHGMJPWEJLHSRZ-HNNXBMFYSA-N 436.509 4.152 5 20 IIBD CC(C)Cn1c(C2CC2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 802673554 VRVDIDPAVTWQSI-UHFFFAOYSA-N 438.454 4.065 5 20 IIBD CN(CC(=O)Nc1cnccc1-c1ccccc1)c1cc(Br)ccc1[N+](=O)[O-] 803225754 BHOVBPZIPGAOBE-UHFFFAOYSA-N 441.285 4.494 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)OCc2nc3cc(Br)ccc3o2)c1 803280246 YKGAPGQFMRJIEG-UHFFFAOYSA-N 435.230 4.319 5 20 IIBD C[C@@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])[C@H](NC(=O)OC(C)(C)C)c1ccccc1 804175759 NTCMZIQTZNZEFK-UTKZUKDTSA-N 441.528 4.498 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N(Cc1ccccc1)C[C@@H](O)c1ccccc1 804410699 KDLQAJCTYQZKGL-XMMPIXPASA-N 442.475 4.157 5 20 IIBD COc1ccncc1COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 805339200 VXMIGOHYRGJILJ-UHFFFAOYSA-N 426.812 4.240 5 20 IIBD COc1cc(Br)ccc1OC(=O)c1cccc([N+](=O)[O-])c1Br 809300144 XRLYPUPFQCTEPK-UHFFFAOYSA-N 431.036 4.348 5 20 IIBD CN(Cc1ncc(-c2ccccc2)[nH]1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 809826831 RZBBOGIGFDMNRV-UHFFFAOYSA-N 441.296 4.112 5 20 IIBD C[C@H](NC(=O)CC1CCCCC1)C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811218275 SWUOCGYOUSVXJQ-AWEZNQCLSA-N 431.514 4.237 5 20 IIBD O=C(Nc1ccc(CN2C(=O)CCCC2=O)cc1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813169905 XBSLMDCXFZUFAO-UHFFFAOYSA-N 436.251 4.193 5 20 IIBD O=C(OCCc1ccccc1[N+](=O)[O-])C1CCN(c2noc3ccc(Cl)cc23)CC1 815983076 PMEALPNQYJGYGG-UHFFFAOYSA-N 429.860 4.392 5 20 IIBD COc1ccc(-c2nnc(S/C=C\c3ccc([N+](=O)[O-])o3)n2C[C@@H]2CCCO2)cc1 825212824 SIEWHXMUDIYFNE-LUJNMSEFSA-N 428.470 4.397 5 20 IIBD O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C/c1ccc(OCCN2CCCC2)cc1 914706862 BGAMHBDIHVHKHG-CPNJWEJPSA-N 441.871 4.067 5 20 IIBD C[C@H](OC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1nc2ccccc2n1C(F)F 915139626 OTRBAZAQJVGPHM-LBPRGKRZSA-N 427.367 4.443 5 20 IIBD CCOc1ccccc1Oc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cn1 916481697 YIFSRNARXLCKSG-UHFFFAOYSA-N 436.468 4.177 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Oc1cccc(Cl)c1Cl 917845212 OEPRHEDEJMQIIE-UHFFFAOYSA-N 427.059 4.432 5 20 IIBD CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccc(Cl)cc1 918557216 GRPGWBLIDVKNND-XOBRGWDASA-N 433.867 4.254 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 918874625 GLEYWWUPNVYWBL-CHWSQXEVSA-N 438.452 4.116 5 20 IIBD O=C(Cc1ccc(Cl)cc1Cl)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 920148303 KFLLTLUNMUZXAC-UHFFFAOYSA-N 431.659 4.071 5 20 IIBD COC(=O)Nc1ccc(CNC(=O)COc2ccc(-c3ccccc3)cc2[N+](=O)[O-])cc1 920307401 CHMYCXJNHVAJEG-UHFFFAOYSA-N 435.436 4.135 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2c(C(C)C)noc2n1 920895117 DDGKVRIQBXLHLD-UHFFFAOYSA-N 432.820 4.012 5 20 IIBD O=C(Oc1cc(Cl)ccc1[N+](=O)[O-])C1CCN(C(=O)c2ccc(Cl)s2)CC1 921134874 SXFIYUKBIWQBAE-UHFFFAOYSA-N 429.281 4.421 5 20 IIBD CC(C)OCc1c(C(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)oc2ccccc12 1115926261 LNSLLAICTPWHAV-UHFFFAOYSA-N 437.496 4.224 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(F)ccc1NC(=O)OC(C)(C)C 1116047954 YKQSHQMIMNEHJB-UHFFFAOYSA-N 425.438 4.190 5 20 IIBD CSCC[C@H](NC(=O)c1ccc2ccccc2n1)c1nnc(-c2cccc([N+](=O)[O-])c2)o1 1322708528 HEDHVPAVBROGQF-IBGZPJMESA-N 449.492 4.417 5 20 IIBD CCCN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1nc(O)c2sccc2n1 1324521313 UGFOITZKQBRZHP-UHFFFAOYSA-N 425.470 4.372 5 20 IIBD Nc1c(C(=O)Nc2cnccc2Oc2ccccc2)cc(Br)cc1[N+](=O)[O-] 1327145341 LTRSGEYWMIYVHZ-UHFFFAOYSA-N 429.230 4.379 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1)c1ccc(F)c(F)c1 1790336087 OPQZUTPDFLTGCE-UHFFFAOYSA-N 440.406 4.263 5 20 IIBD Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)s1 1825786529 LBDXMXKFSQUEDW-MRXNPFEDSA-N 431.514 4.105 5 20 IIBD O=C(COC(=O)c1cc2c(s1)CCCC2)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9069269 DECJQGLMVNIQJR-UHFFFAOYSA-N 428.388 4.349 5 20 IIBD C[C@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1 9848904 MZCNMQYBHLHWOS-VIFPVBQESA-N 427.638 4.195 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2ccc(Oc3ccc(F)cc3)cc2)c([N+](=O)[O-])c1 16577930 XYSJDEDLQGRVQJ-UHFFFAOYSA-N 440.383 4.330 5 20 IIBD COc1ccc(CSc2nnc(SCc3ccc(C(N)=O)cc3[N+](=O)[O-])s2)cc1 16813594 ASHVRSRLXOPACH-UHFFFAOYSA-N 448.551 4.138 5 20 IIBD C[C@@H](Sc1nnc(-c2cccc(Cl)c2)n1N)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 17724447 XMGWGBPFTCSJMP-SNVBAGLBSA-N 443.876 4.124 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2sc(-c3cccs3)nc2C)c([N+](=O)[O-])c1 17830684 LCTZCCMVIWSCIM-UHFFFAOYSA-N 447.494 4.282 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 19284503 PIQKCOBRKBDRPK-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)c([N+](=O)[O-])c1 20750896 GVXXWHDAFBUTCZ-HXUWFJFHSA-N 435.392 4.348 5 20 IIBD CN(CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)Cc1cc([N+](=O)[O-])ccc1Cl 25022114 BWDVULVBEAICSE-SFHVURJKSA-N 442.859 4.244 5 20 IIBD Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)CC2)c(C)c1 32654804 YVTXBWCXOMVJFX-UHFFFAOYSA-N 432.480 4.132 5 20 IIBD CCOc1cc(NC(=O)c2cnn(-c3ccccc3Cl)c2)c([N+](=O)[O-])cc1OCC 64386126 VTTONCQLHBEGFV-UHFFFAOYSA-N 430.848 4.484 5 20 IIBD Cc1cc(Cl)cc2c1N(C(=O)CCCn1c(=O)oc3cc([N+](=O)[O-])ccc31)CCC2 97576087 MFJPFZGWXAGKSY-UHFFFAOYSA-N 429.860 4.224 5 20 IIBD Cc1cc(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)cc([N+](=O)[O-])c1 195691470 RRDTYSNDCRVYJK-UHFFFAOYSA-N 433.464 4.231 5 20 IIBD O=C(Nc1nnc(-c2ccccc2Cl)[nH]1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 215935221 XPYLTMHLPRDTSG-UHFFFAOYSA-N 426.845 4.409 5 20 IIBD O=[N+]([O-])c1ccccc1/C=C/CNCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 237858571 LUMHGJNLCHWJML-HWKANZROSA-N 447.514 4.259 5 20 IIBD COc1cc(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c(F)cc1[N+](=O)[O-] 301852813 GTIAIEMJUARCQD-UHFFFAOYSA-N 434.777 4.136 5 20 IIBD O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 303065003 MXEYOHLDBCEGCC-UHFFFAOYSA-N 430.449 4.409 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 303632267 FYSOQDXFEGAZIU-LLVKDONJSA-N 426.807 4.250 5 20 IIBD COCCN1C(=O)CCc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)ccc21 426325578 VOAPTEIRLCZFOY-UHFFFAOYSA-N 443.525 4.273 5 20 IIBD O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(Br)cc1[N+](=O)[O-] 429957991 KPFWXMWWSZCADP-UHFFFAOYSA-N 432.274 4.236 5 20 IIBD COc1ccc(CNC(=O)Nc2ccnc(Oc3ccc(F)cc3F)c2)cc1[N+](=O)[O-] 433739276 XMFVQSTXEAVSKW-UHFFFAOYSA-N 430.367 4.391 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])c(C2CC2)n1)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 436210107 MRQQQDLMSFJEBZ-LJQANCHMSA-N 429.480 4.098 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)C(=O)c1ccc(O)cc1 436898490 YBJVJDKQZSMKTO-UHFFFAOYSA-N 444.802 4.384 5 20 IIBD CC[C@@H](Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-])c1ncc[nH]1 439642466 IGQPGNIXQACKGZ-MRXNPFEDSA-N 429.502 4.299 5 20 IIBD CC(C)C(=O)NC1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 440727626 OYJIJHUFCDHTIM-UHFFFAOYSA-N 427.526 4.123 5 20 IIBD CC(C)(C)Oc1c(F)cc(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1F 441658881 NUCJPGMNYGGJRA-UHFFFAOYSA-N 427.791 4.281 5 20 IIBD O=C(Nc1cc([C@@H]2C[C@H]3CC[C@H]2C3)[nH]n1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444080603 AORONBBEUPVVNE-SLEUVZQESA-N 434.446 4.839 5 20 IIBD C[C@@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1nc(-c2ccccc2)no1 444299235 TZQOUIVKQQUMQN-AWEZNQCLSA-N 442.450 4.404 5 20 IIBD CCOc1ccc(NC(=O)CN[C@@H](C)c2nc3ccccc3n2C(F)F)c([N+](=O)[O-])c1 444679800 VMGRZMNLQRNYIK-LBPRGKRZSA-N 433.415 4.028 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(C3(c4cccc(Br)c4)CCOCC3)no2)cc1O 445406274 VPXTUXXFDHDNPA-UHFFFAOYSA-N 446.257 4.209 5 20 IIBD COc1ccc2cc(CNC(=O)Cc3ccc([N+](=O)[O-])cc3Br)ccc2c1 445713352 DBXRMKARCIFWIY-UHFFFAOYSA-N 429.270 4.378 5 20 IIBD CC1(C)CN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c2ccccc2S1 446432140 GCMSUTQEICFWQJ-UHFFFAOYSA-N 427.482 4.200 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCSc3ccc(F)cc32)c(Br)c1 446948148 MMMQPCOCDKWVSA-CYBMUJFWSA-N 447.307 4.012 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCC[C@@H]2C(F)(F)F)c(Br)c1 447036092 CWKDWUCALHDRNW-KOLCDFICSA-N 445.257 4.004 5 20 IIBD Cc1ccc(CN2CC[C@@H](Nc3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])C2=O)cc1 447669404 JLGBPJPDHXYMAN-CYBMUJFWSA-N 444.360 4.165 5 20 IIBD O=C(NCCCCCO)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 448139587 ODIVZBKGKZJLJI-UHFFFAOYSA-N 425.844 4.141 5 20 IIBD CCCN(CC)C(=O)c1ccc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 464663633 NQMCAVRZZRTJOW-UHFFFAOYSA-N 439.512 4.151 5 20 IIBD O=C(NCCC(F)(F)F)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 466463782 HJDZGANCXQTLBX-UHFFFAOYSA-N 442.463 4.103 5 20 IIBD O=C(N[C@@H]1CCc2c[nH]nc2C1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 468064555 IDWPAUPYALQSMM-CQSZACIVSA-N 428.901 4.410 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2cccc(C)c2Br)cc1SC 469849720 BREHDYLYBWGCNY-UHFFFAOYSA-N 425.304 4.326 5 20 IIBD C[C@@H](Nc1ccccc1O[C@@H]1CCOC1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 469881021 MXJWTBXHCQQQPI-TZMCWYRMSA-N 439.390 4.220 5 20 IIBD CN(Cc1cccc(OC(F)(F)F)c1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 470709866 AGZPVUQASDWERF-UHFFFAOYSA-N 437.418 4.368 5 20 IIBD O=C(c1cc(I)ccc1Cl)N1CCc2ccc([N+](=O)[O-])cc21 471161886 SVTBEZTVBQTNJM-UHFFFAOYSA-N 428.613 4.056 5 20 IIBD Cc1ccc([C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c2ccccn2)cc1 471388292 BJJUHCRCVJKEHZ-XMMPIXPASA-N 430.508 4.420 5 20 IIBD CC1(O)CCN(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)CC1 471535644 FXESWKCIVUVGPF-UHFFFAOYSA-N 437.855 4.236 5 20 IIBD COC(=O)c1sc(NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])nc1C(C)(C)C 471545396 BGQWRGPGBHZHEG-UHFFFAOYSA-N 439.515 4.118 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 472904029 LEXSAWNNXKLNTM-ZRBLBEILSA-N 446.507 4.064 5 20 IIBD CC(C)(C)OC(=O)CCc1cccc(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)c1 473417082 YJTWJZXZIBRACL-UHFFFAOYSA-N 437.452 4.375 5 20 IIBD COC(=O)c1cnc(N2CCC(COc3ccccc3C(F)(F)F)CC2)c([N+](=O)[O-])c1 477714993 CFTCKHTZGHHFIQ-UHFFFAOYSA-N 439.390 4.091 5 20 IIBD O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1c(Cl)cccc1[N+](=O)[O-] 479294144 YLANSLLPQHZOFX-ZDUSSCGKSA-N 428.659 4.090 5 20 IIBD C[C@@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccc(OCC(F)(F)F)cc1 479634244 BYPBNINXVLGOFH-CYBMUJFWSA-N 434.374 4.213 5 20 IIBD COc1cc(C(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)cc([N+](=O)[O-])c1C 480030449 IVWRLLOQNAEUDN-UHFFFAOYSA-N 434.452 4.486 5 20 IIBD C[C@H](NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1)c1ccc([N+](=O)[O-])cc1 481324309 RCUNGIANTFPSIN-SFHVURJKSA-N 435.503 4.306 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(=O)N(C)c2ccccc2)C1 484144195 JZQHUUCTAMNNIW-INIZCTEOSA-N 427.526 4.222 5 20 IIBD O=C(O)Cn1ccc2cc(NC(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)ccc21 485953344 PBWBIRQFWBXIRV-UHFFFAOYSA-N 444.447 4.499 5 20 IIBD Cc1ccc(-n2cnnc2SCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1C 486150638 LUQVHONONSRXRM-UHFFFAOYSA-N 437.525 4.076 5 20 IIBD CCOC(=O)Cn1ccc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3SCC)ccc21 486214988 LDJBESVUDNNRNP-UHFFFAOYSA-N 427.482 4.477 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cnn(-c3ccccc3)c2C(C)C)cc1[N+](=O)[O-] 487762892 OQXBWSNVVGYDSY-MRXNPFEDSA-N 435.484 4.028 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2cccc(F)c2)cc1[N+](=O)[O-] 488158006 KVSQAOTXEYAMDY-GOSISDBHSA-N 431.489 4.185 5 20 IIBD O=C([C@H]1CCCN(c2ncnc3sccc23)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 490401108 RYABERJNCUWOHW-INIZCTEOSA-N 437.525 4.007 5 20 IIBD COc1c(F)cc(S(=O)(=O)N(C)[C@@H](C)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 490681944 OFWDMINCMCILRN-JTQLQIEISA-N 436.383 4.143 5 20 IIBD CN(Cc1cc(Br)ccc1Cl)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 491761545 IXNRJOFTKSQWGJ-UHFFFAOYSA-N 433.711 4.051 5 20 IIBD O=C(c1ccc(Cl)cc1)N1CCC[C@H](C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 493239044 RAJVINJRJZWBEN-SFHVURJKSA-N 441.915 4.292 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cccc3c2CN([C@H](C)C(C)C)C3)cc1[N+](=O)[O-] 493900068 JOBXGYAMIOJSTE-DLBZAZTESA-N 438.528 4.079 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 494679797 GNEVFUOKAGFNBB-UHFFFAOYSA-N 445.273 4.057 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(C2CCC2)cc1 495135320 FQAHZJVDXWNQQD-OAQYLSRUSA-N 441.553 4.030 5 20 IIBD CC(C)[C@@H](c1ccccc1)N(C)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 496245802 NTLUOWWPNHABTD-IBGZPJMESA-N 425.514 4.344 5 20 IIBD Cc1nc([C@H](C)NC(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)n[nH]1 497591819 GPKDLYZRNFWBHM-JTQLQIEISA-N 448.842 4.167 5 20 IIBD CCc1nc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])nn1-c1c(Cl)cccc1Cl 499395819 YPMWMEHRMVQXIL-UHFFFAOYSA-N 434.283 4.317 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 504865706 REJJOQOKBHAXIB-HXUWFJFHSA-N 431.920 4.139 5 20 IIBD CCc1c(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)cnn1-c1ccc(C(F)(F)F)cc1 508479691 XETHFNIQHXIOTM-UHFFFAOYSA-N 444.373 4.490 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1 510825452 NJCONMYINOHACL-OAHLLOKOSA-N 437.399 4.401 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(OCC(F)(F)C(F)F)nc1 511782237 YJJORMXXDRJZMM-UHFFFAOYSA-N 429.370 4.320 5 20 IIBD COc1ccc(CN2CCC(C(=O)Nc3ccc(Br)cc3)CC2)cc1[N+](=O)[O-] 512561887 NIRMSMCEKRAHAB-UHFFFAOYSA-N 448.317 4.217 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 512934862 XLGZJEINGDHFTF-UHFFFAOYSA-N 436.365 4.253 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCCn2cnc3ccccc32)cc1 520749226 GHQJHNHSCFPKBK-UHFFFAOYSA-N 432.436 4.175 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCc2cn3ccccc3n2)cc1[N+](=O)[O-] 521548305 WVYHKHCMESYDBM-UHFFFAOYSA-N 446.488 4.125 5 20 IIBD Cn1cc(C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 522079447 FIJDYPIHWVCMHS-FUHWJXTLSA-N 441.285 4.044 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3ccc4oc(=O)n(C)c4c3)cc2[N+](=O)[O-])n1 523279470 RROWSYQOULNJDM-UHFFFAOYSA-N 442.478 4.208 5 20 IIBD COc1ccc(CCN(CC(C)(C)C)C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cc1 523709130 GIWHDYIWDIECOD-UHFFFAOYSA-N 428.485 4.106 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Nc2cccc3c2CN([C@@H](C)C(C)C)C3)c([N+](=O)[O-])c1 524323030 HQUGPBNMEKGHMW-HOTGVXAUSA-N 426.517 4.403 5 20 IIBD O=C(CN1CCSC[C@@H]1c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Br 532976909 QXFCHUFEIFCUBJ-QGZVFWFLSA-N 436.331 4.086 5 20 IIBD CCSCc1ccnc(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)c1 535032452 WRADBHTVDXWVOT-UHFFFAOYSA-N 443.266 4.100 5 20 IIBD CC(=O)c1ccc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)nc1 535523420 DZWLUVBTIUNWHV-UHFFFAOYSA-N 441.447 4.226 5 20 IIBD CC(C)c1nc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)nn1-c1ccccc1Cl 536252049 CJUNBQMEBFVMSS-UHFFFAOYSA-N 425.836 4.081 5 20 IIBD CCO[C@@H]1C[C@H](O)C12CCN(Cc1ccc(N(C)c3ccccc3)c([N+](=O)[O-])c1)CC2 536660735 PMDNJMLWZBONOU-XZOQPEGZSA-N 425.529 4.115 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](c1c(C)nn(-c2ccccc2)c1C)C(F)(F)F 538552833 SMRVRQFOGQEMJU-IBGZPJMESA-N 448.401 4.439 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc(-c2ccc(OC)cc2)n[nH]1 538572985 NAUVLJZGQYJUPO-UHFFFAOYSA-N 441.513 4.211 5 20 IIBD C[C@@H]([C@H](C)S(C)(=O)=O)N(C)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 538729053 NHJJSMUSVVJXTA-KBPBESRZSA-N 426.922 4.294 5 20 IIBD C[C@@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(OCc2ccccn2)c1 539252632 LLIWLFZZKBPAIR-UZUQRXQVSA-N 432.480 4.025 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC(C)(c3nc(C)no3)CC2)cc1OC 541956311 BZIYZJLIUYAMIV-HNNXBMFYSA-N 432.521 4.273 5 20 IIBD C[C@H](N[C@@H](C)c1nc(-c2cccc(F)c2)no1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 543548700 XTVMEVAUQZJQCU-QWRGUYRKSA-N 433.827 4.115 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1 544574311 QVDKEFZJIFPKPW-NRFANRHFSA-N 430.913 4.401 5 20 IIBD Cc1c(Br)cc(-c2nc(-c3cccnc3N3CCCC3)no2)cc1[N+](=O)[O-] 546372793 QAJVXPFMNIQFTA-UHFFFAOYSA-N 430.262 4.378 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCc1ccc(Br)cc1Cl 561512900 RQCMOWDOXWASEO-UHFFFAOYSA-N 426.698 4.395 5 20 IIBD Cc1cc(I)cc(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)c1 566325400 XLDVIQMQECHBFD-UHFFFAOYSA-N 449.204 4.014 5 20 IIBD CCN(C(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1)[C@H](C)C(C)C 569532522 UJBVUHTWSDCZAL-MRXNPFEDSA-N 433.530 4.211 5 20 IIBD C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 571390395 FPPRTXSPJYRSSY-OAHLLOKOSA-N 427.508 4.147 5 20 IIBD COc1cc(-c2nc(-c3cn4ccc(Br)cc4n3)no2)cc([N+](=O)[O-])c1C 579044244 IDKFDRGFBCAANN-UHFFFAOYSA-N 430.218 4.039 5 20 IIBD Cc1ccc(C(C)C)c(Oc2ccc(CN[C@@H]3CS(=O)(=O)C[C@@H]3C)cc2[N+](=O)[O-])c1 583285797 PKJIKBIFJSUPIR-QFBILLFUSA-N 432.542 4.342 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(NCc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C[C@@H](C)O1 600859554 GHMKZRWDOWHVJD-OKILXGFUSA-N 437.418 4.475 5 20 IIBD Cc1cc(C(=O)NC2CCCCC2)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 603982043 UOFZIVMNEORZGI-UHFFFAOYSA-N 431.514 4.075 5 20 IIBD CC(C)(C)C[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1 604139619 ALDBAJAYMSEBDT-MRXNPFEDSA-N 435.427 4.428 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc([N+](=O)[O-])c1 604195732 PMCCQDCNGVOUCP-UHFFFAOYSA-N 444.871 4.160 5 20 IIBD Cn1ccc2c(C(=O)N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)cccc21 608875177 LMNBLFCETBBCOP-UHFFFAOYSA-N 432.402 4.068 5 20 IIBD COc1ccc(CC(=O)Nc2cc(C)nn2-c2cccc(Br)c2)cc1[N+](=O)[O-] 609010841 WQOQCLVJSYDVBT-UHFFFAOYSA-N 445.273 4.041 5 20 IIBD CN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 609030207 MKVSKXGXKLWSBU-OAHLLOKOSA-N 425.304 4.055 5 20 IIBD Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 609908499 FFIDWOMRHMAEKU-FQEVSTJZSA-N 437.521 4.185 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)cc1[N+](=O)[O-] 610184294 PAYWWRDVMJRBCF-UHFFFAOYSA-N 440.481 4.366 5 20 IIBD O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)c1cc2c(cc1[N+](=O)[O-])OCO2 610435654 PZFVDJVFDMFNSH-UHFFFAOYSA-N 435.223 4.127 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@@H](C(C)(C)C(=O)O)C2)cc1 611478707 XDMMCZDBYDNTMW-OAHLLOKOSA-N 442.468 4.359 5 20 IIBD O=C1C[C@H](C(F)(F)F)N(C(=O)CSc2ccc([N+](=O)[O-])cc2F)c2ccccc2N1 613525958 HKRDDCMOKFZFJS-OAHLLOKOSA-N 443.378 4.132 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1cc(F)ccc1N1CCCCC1 615147708 CQEFZGVMFLBGEM-UHFFFAOYSA-N 442.491 4.100 5 20 IIBD COc1ccc(C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)c(OC)c1OC 619729380 XFECSNWKOHHWJN-UHFFFAOYSA-N 429.454 4.305 5 20 IIBD COCCN(Cc1ccc(C)cc1C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 642043426 GIFFYSAXDCLEDR-UHFFFAOYSA-N 428.532 4.447 5 20 IIBD COc1ccc(-c2nc(COC(=O)c3ccc([N+](=O)[O-])c(OC)c3)cs2)c(OC)c1 725953398 SYEWIQJDZSQTBD-UHFFFAOYSA-N 430.438 4.101 5 20 IIBD NC(=O)c1ccc(SCC(=O)O[C@@H](c2cccc(Cl)c2)C(F)(F)F)c([N+](=O)[O-])c1 730417970 MKONSIWEFCCIHY-HNNXBMFYSA-N 448.806 4.286 5 20 IIBD O=C(NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1C[C@@H]1c1ccc2ccccc2c1 731285731 JIOXLIDRHBONEI-SJORKVTESA-N 430.869 4.010 5 20 IIBD Cc1c(C(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 731831203 ISAGJAFIPVPDAC-FQEVSTJZSA-N 447.875 4.359 5 20 IIBD Cc1cccc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1[N+](=O)[O-] 732309355 GQIRMACXHDJLFZ-NSHDSACASA-N 447.419 4.489 5 20 IIBD CCc1nnc([C@@H](C)OC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)o1 732317702 AFHLUKZHDYMBSK-LLVKDONJSA-N 442.394 4.080 5 20 IIBD CC[C@@H](OC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 733400958 YIWKTZAOGKKWFM-OAQYLSRUSA-N 445.903 4.225 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(OCCCc2cccc3ccccc23)c([N+](=O)[O-])c1 735980223 UJYJPCFOVJPPRO-UHFFFAOYSA-N 430.438 4.071 5 20 IIBD O=C(Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)c1cc(Cl)cc([N+](=O)[O-])c1 735991500 RGKVOMHWUJMXLF-UHFFFAOYSA-N 439.811 4.482 5 20 IIBD Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1NC(=O)NC(C)(C)C 741050087 BKSJGWKFZNXQBJ-AWEZNQCLSA-N 442.472 4.007 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Oc1cccc(Oc2ncccn2)c1 742288763 YIYARCZYDKNWLU-UHFFFAOYSA-N 442.236 4.252 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F 743758930 DBMLWFQLAFIUPR-NADMHLTPSA-N 448.319 4.193 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)OCC(F)(F)C(F)F 744590841 CSYJQOFSUNXMFJ-UHFFFAOYSA-N 437.349 4.434 5 20 IIBD CC(C)c1cc(C(=O)Oc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)n(C)n1 746506794 RNICTBLCMPCMDB-UHFFFAOYSA-N 433.420 4.444 5 20 IIBD CN(C)c1ccc(N2CCC(NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC2)cc1 746858023 JWWQBBVMULOVAY-UHFFFAOYSA-N 436.434 4.078 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1sc2c(c1C(=O)NC1CC1)CCC2 747684544 IPTUDCFHRDNRJC-JTQLQIEISA-N 449.916 4.097 5 20 IIBD CC(=O)NCc1ccc(-c2csc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])n2)s1 749986373 XELYHSHGUTXFKI-UHFFFAOYSA-N 436.902 4.322 5 20 IIBD COc1cc(-c2noc(COC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])n2)ccc1C 750034640 CBCUARWYMPHEOW-UHFFFAOYSA-N 447.831 4.128 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C 750060788 BGPSURIHOSYSHS-LESCRADOSA-N 443.504 4.180 5 20 IIBD C[C@@H](OC(=O)c1cccc(CN(C)Cc2ccccc2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 751787990 DVMCPBURCWDGBH-GOSISDBHSA-N 447.491 4.411 5 20 IIBD COc1ccc([C@H]2CCCCCN2C(=O)COC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])cc1 752556909 DNCVPYARUNGMBY-HXUWFJFHSA-N 444.459 4.352 5 20 IIBD Cc1c(Br)cc(C(=O)N(C)CC(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] 753399009 YLQAUXUFYJGUTO-UHFFFAOYSA-N 440.681 4.030 5 20 IIBD C/C(=C/C(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1ccccc1OC(F)F 753405539 MCAKHQDEDPFOSK-QINSGFPZSA-N 447.438 4.454 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)cc1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 753908675 PEMGAQVZSUSSQL-SFHVURJKSA-N 426.473 4.468 5 20 IIBD CSc1ccc2cc(Cn3nc(-c4ccc([N+](=O)[O-])cc4)oc3=O)c(Cl)nc2c1 755246658 FCGPMQHMLOSLDH-UHFFFAOYSA-N 428.857 4.383 5 20 IIBD C[C@@H](OC(=O)CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 756538184 TXNRXFLJWVJARQ-OAHLLOKOSA-N 426.469 4.327 5 20 IIBD CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] 760172883 PSHJGRYKBIMYLB-HNNXBMFYSA-N 445.686 4.459 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CS(=O)(=O)Cc3ccc(Br)cc3)co2)cc1 760230682 VSHCHERLZMDART-UHFFFAOYSA-N 437.271 4.127 5 20 IIBD O=C(COc1cccc(Br)c1)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760457161 FTFJMOBNKPKBKD-UHFFFAOYSA-N 433.214 4.135 5 20 IIBD Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 764304164 WVHXDQFZRAIIKV-GOSISDBHSA-N 439.903 4.452 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 765722767 FPBWRDJRMIVPDX-WZONZLPQSA-N 431.533 4.023 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)N1CCC[C@H]1c1cccs1 766231101 LGCDESPDORFULX-GUYCJALGSA-N 425.466 4.114 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)O[C@H]2CCc3sc(Cl)cc32)ccc1[N+](=O)[O-] 766540297 OUAJDCPBNMEJII-CVEARBPZSA-N 434.901 4.453 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cnc(Cc2ccccc2F)s1 772830310 MNEFSEQMGQHIEI-UHFFFAOYSA-N 440.412 4.188 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cc1[N+](=O)[O-] 773597545 HVPXPRHBHIGNGZ-QGZVFWFLSA-N 446.548 4.397 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCC(Oc2ccc(F)nc2)CC1 774683677 IXGPHHGMLBRKBC-UHFFFAOYSA-N 436.312 4.226 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)N[C@H]1CCOc2ccccc21 775089601 IJNXIQWELVLCSF-KDOFPFPSSA-N 444.509 4.281 5 20 IIBD CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1nc(-c2ccccc2[N+](=O)[O-])cs1 775495407 JLOPEEXYJXLVIP-UHFFFAOYSA-N 432.845 4.485 5 20 IIBD CC(C)(C)Cc1csc(NC(=O)c2cc([N+](=O)[O-])ccc2I)n1 776404911 PGLLHBBRJHWVQJ-UHFFFAOYSA-N 445.282 4.497 5 20 IIBD O=C(O[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1c(F)ccc([N+](=O)[O-])c1F 778130972 VFWJFQWAIIMDFM-ZDUSSCGKSA-N 431.178 4.142 5 20 IIBD O=C(c1cc([N+](=O)[O-])c2nsnc2c1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 778253308 GMSCHYMOQKEDTM-OAHLLOKOSA-N 439.280 4.120 5 20 IIBD COc1ccc(OC(=O)c2coc(-c3ccc(Br)cc3F)n2)c([N+](=O)[O-])c1 779192955 DHEDQXGMCLBTHC-UHFFFAOYSA-N 437.177 4.379 5 20 IIBD CCC[C@@H]1C[C@@H](C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)CCO1 780390171 USJQSPHRHNDRQN-HFSMHLIXSA-N 432.517 4.118 5 20 IIBD C[C@@H](OC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1nc(-c2cccnc2)no1 781257094 POUYPSJGHSVCGR-LLVKDONJSA-N 448.385 4.323 5 20 IIBD O=C(NCc1ccccc1COCc1ccccc1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781613410 ASGHXQZEGWLBSH-DEOSSOPVSA-N 445.475 4.121 5 20 IIBD Cc1ccc(C(=O)C2CCN(C(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)c(C)c1 781679576 ZUNFFBWITLFWKE-UHFFFAOYSA-N 439.468 4.174 5 20 IIBD O=C(Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1)C1CCN(C2CC2)CC1 781866327 MDNXQVOLHBWJQP-UHFFFAOYSA-N 434.448 4.148 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N(Cc1ccccc1)C[C@H](O)c1ccsc1 782075609 UQNRQZSVYUQBOL-IBGZPJMESA-N 427.482 4.433 5 20 IIBD CC(C)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] 784257583 FLURRJRGJUKEAL-AWEZNQCLSA-N 428.441 4.064 5 20 IIBD COc1cc(C)c([C@@H](C)NC(=O)COC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)cc1OC 784259949 XACWIMCGKAUNPM-OAHLLOKOSA-N 444.484 4.078 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Oc1cc(Br)cc(F)c1F 785392514 BFNNYFAQIDSOIX-UHFFFAOYSA-N 428.594 4.057 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC1CCC(N2CCCCC2)CC1 787275588 OQQPZLNTCHOVKV-UHFFFAOYSA-N 428.455 4.210 5 20 IIBD CCCN(CCCN(C)C)C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 787764888 ZLVAGTZFUJNGHJ-UHFFFAOYSA-N 446.935 4.304 5 20 IIBD Cc1noc(C)c1COc1ccccc1C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 791473832 SGHLQOQWPSYUOQ-UHFFFAOYSA-N 427.369 4.044 5 20 IIBD COCCC[C@@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 791902638 XJLUAVSDYNPQGW-FQEVSTJZSA-N 425.529 4.353 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2nc3cccnc3s2)c2ccccc2)c([N+](=O)[O-])c1 792402633 SRBWFASDHQFVPO-GOSISDBHSA-N 448.460 4.445 5 20 IIBD COC(=O)c1nc([C@@H]2CCCN2Cc2ccc(Br)c([N+](=O)[O-])c2)sc1C 793234645 KHTICJFBALKCGT-ZDUSSCGKSA-N 440.319 4.246 5 20 IIBD CCOc1ccc(-c2nc(COC(=O)c3cccc([N+](=O)[O-])c3OC)cs2)cc1OC 796299251 NPYKHYNXYJPSRN-UHFFFAOYSA-N 444.465 4.491 5 20 IIBD O=[N+]([O-])c1cccc(Br)c1CNc1cc(F)c(N2CCOCC2)cc1F 796528083 DDZNOJOWGNBPNR-UHFFFAOYSA-N 428.233 4.084 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1ccc(N2CCCCCC2)cc1C 804344497 UFJWHIFOURNSDQ-UHFFFAOYSA-N 441.484 4.122 5 20 IIBD C[C@H](c1ncc(Br)cn1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 805756015 POMQGPQPNXPZKC-SECBINFHSA-N 442.111 4.029 5 20 IIBD CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 810669322 CDRRDIWGQULOCT-VQTJNVASSA-N 443.544 4.369 5 20 IIBD COc1ccc2c(c1)OC[C@@H]2CC(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811215965 BYWRBIFVEBCXGM-AWEZNQCLSA-N 426.450 4.336 5 20 IIBD O=C(O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)c1csc(-c2ccccc2F)n1 813174539 WYVKKCGFXGWVDD-INIZCTEOSA-N 427.457 4.289 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@]2(CCN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)C1 813519279 UKWSGPKKNPJATC-IBGZPJMESA-N 444.315 4.375 5 20 IIBD C[C@H](N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(N2CCCOC2=O)cc1 815634323 IKMPWSLPDIVZIP-CVEARBPZSA-N 426.473 4.009 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OCc1nc(-c2cccc(C(F)(F)F)c2)no1 821887721 VBPQZBRXNMNBJN-UHFFFAOYSA-N 436.346 4.087 5 20 IIBD CC[C@H](C)NC(=O)[C@H](C)OC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 854987951 NEYWSEIOXJGDOK-KBPBESRZSA-N 433.892 4.320 5 20 IIBD CCCCN(C(=O)c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1)C1CC1 914472631 OTUPWBSWEZOAEA-UHFFFAOYSA-N 432.498 4.076 5 20 IIBD O=C(CCOc1ccccc1-c1ccccc1)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 914998832 AHGOCXXURSNWJU-UHFFFAOYSA-N 446.459 4.163 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)ccc1[N+](=O)[O-] 916690465 TYZRCKITVQPJSS-SFHVURJKSA-N 441.440 4.053 5 20 IIBD C[C@H](OC(=O)c1sccc1Br)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 919345485 CTFSBHFHOCMBIX-ZETCQYMHSA-N 433.667 4.256 5 20 IIBD CCc1cc(N2CCCN(C(=O)OC(C)(C)C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 919721736 VZYZXOMEZNCBSY-UHFFFAOYSA-N 427.505 4.061 5 20 IIBD CC(C)N(CCc1ccccc1)C(=O)c1ccc(I)c([N+](=O)[O-])c1 1318371340 DVCYTRVWMKGECP-UHFFFAOYSA-N 438.265 4.293 5 20 IIBD COc1ccc([C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])c2ccc(OC)cc2OC)cc1 1318380406 BWDRCJZCMRQITI-QFIPXVFZSA-N 440.427 4.279 5 20 IIBD Cn1cnnc1Sc1ccc(-c2nnc(-c3ccc(Cl)cc3F)o2)cc1[N+](=O)[O-] 1341698331 CQMLLCWHWHGXJS-UHFFFAOYSA-N 432.824 4.384 5 20 IIBD O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc(C2CC2)n(-c2ccccc2)n1 1343445337 BUIDUIDHWMSQIF-UHFFFAOYSA-N 431.408 4.065 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]3C3CC3)cc2)CCC1 1786057571 VUIYUCLDKZDOLH-WOJBJXKFSA-N 449.507 4.403 5 20 IIBD CC(=O)CCC(=O)Nc1ccc(C2(NC(=O)CCc3cccc([N+](=O)[O-])c3)CCC2)cc1 1787689507 RIJBCMQZMSUBIC-UHFFFAOYSA-N 437.496 4.031 5 20 IIBD O=C(CCc1ccco1)NC1(c2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc2)CCC1 1790755388 UGMKLBBGKWPTJA-UHFFFAOYSA-N 449.463 4.274 5 20 IIBD Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)c1 1823679420 HIAXCJXAVFQQOT-XMMPIXPASA-N 449.551 4.379 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CC=CCC2)CC1 1824106110 UITFWIXLGQELPP-GCJKJVERSA-N 443.519 4.324 5 20 IIBD Cc1ccoc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1827740795 AMVOKRYVJXHCFE-FQEVSTJZSA-N 443.475 4.182 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)ccc2F)CC1 1829881322 YAZXDQRHEVDZGM-GOSISDBHSA-N 447.438 4.013 5 20 IIBD Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)CC3CCC3)CC2)cc1[N+](=O)[O-] 1830367172 PHAQZICEQCDLPZ-QFIPXVFZSA-N 441.572 4.256 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC12CN(C(=O)CCCc1cc(C)c(F)cc1[N+](=O)[O-])C2 1841489183 XDUKSCUXRLYHNT-INIZCTEOSA-N 433.524 4.005 5 20 IIBD CC(C)Cc1ccc(C(=O)N2CC3(CCCN3C(=O)CCc3cccc([N+](=O)[O-])c3)C2)cc1 1841808701 LJTWAYHOVZNQLS-UHFFFAOYSA-N 449.551 4.243 5 20 IIBD CC1=CC[C@@H](C(=O)N2CCCC23CN(C(=O)c2cc4cc([N+](=O)[O-])ccc4s2)C3)CC1 1843832422 QQWMXSGPBAZRQK-MRXNPFEDSA-N 439.537 4.373 5 20 IIBD Cc1c(C(=O)N2CCCC23CN(C(=O)C[C@H]2C[C@@H]4CC[C@H]2C4)C3)cc(Cl)cc1[N+](=O)[O-] 1845499942 AHJFXVKVYKJYSG-IXDOHACOSA-N 445.947 4.200 5 20 IIBD Cc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 10210141 RJILMIIHEOWIJK-KRWDZBQOSA-N 425.485 4.324 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccccc1O 10530292 OGGLDAZCYQRACU-IBGZPJMESA-N 426.812 4.491 5 20 IIBD Cc1c(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)oc2ccc(Br)cc12 16057970 MWAAAOFEMCRNCL-UHFFFAOYSA-N 444.285 4.374 5 20 IIBD COc1ccc(-c2nc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cs2)cc1 19176067 NBWHMJFAMIETGU-UHFFFAOYSA-N 447.856 4.176 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(NCc2ccc(Br)s2)c([N+](=O)[O-])c1 26726273 GEKDDCFRBORYMD-UHFFFAOYSA-N 448.364 4.061 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)Nc2cccc(OCc3ccccn3)c2)cc1[N+](=O)[O-] 36760544 KPHZNBCREQOEDN-UHFFFAOYSA-N 433.873 4.331 5 20 IIBD O=[N+]([O-])c1ccccc1OCCSc1nnc(CN2CCCC2)n1Cc1ccccc1 59407066 ZXLYMBXCXFLLEA-UHFFFAOYSA-N 439.541 4.002 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc1C 60443541 BPCYIKGYHHFLKH-UHFFFAOYSA-N 431.514 4.029 5 20 IIBD CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 71935512 JXXSBXICSVGHJN-UHFFFAOYSA-N 444.919 4.242 5 20 IIBD COc1ccc(CSCC(=O)N(C)Cc2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] 105985189 GKBYZIKEOAQEGF-UHFFFAOYSA-N 444.431 4.394 5 20 IIBD COc1ccc(CSCC(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1[N+](=O)[O-] 106010800 AXSQPPCICQNWBE-UHFFFAOYSA-N 441.509 4.384 5 20 IIBD O=C(Nc1cccc(CN2CCSCC2)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 109485223 ZDQQGCHGHZJGDX-UHFFFAOYSA-N 440.569 4.386 5 20 IIBD O=C(CN1CCCC[C@@H]1c1nc(-c2ccccc2)no1)Nc1ccc(Cl)cc1[N+](=O)[O-] 116700122 WXLPTFSZPIFOQF-QGZVFWFLSA-N 441.875 4.464 5 20 IIBD CCCCSc1nnc(SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)s1 261421778 HJFDXVNOZPGMGT-UHFFFAOYSA-N 426.545 4.429 5 20 IIBD CC(C)[C@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)Nc1ccccc1 301978113 GEJZYNRODYDNGU-SFHVURJKSA-N 427.892 4.343 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](CCc1ccccc1)c1ccccc1 303130347 IEKZCVUORUYZRD-JPYJTQIMSA-N 431.492 4.203 5 20 IIBD O=C(NCc1ccc(Oc2cccnc2)c(F)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 409470991 PKVKIGILUVDPDK-UHFFFAOYSA-N 433.399 4.037 5 20 IIBD COCCN(Cc1ccc(F)cc1Cl)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 409967290 ZNLOYJIVDNAVOQ-UHFFFAOYSA-N 435.883 4.276 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 427113696 KSUVROCQGHXQNW-QGZVFWFLSA-N 446.301 4.104 5 20 IIBD Cc1nn(-c2ccccc2)c2nc(C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)ccc12 427584589 WRDIHFSSIAGJLP-UHFFFAOYSA-N 427.464 4.442 5 20 IIBD COCCC1(CNC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 427589322 XRHDRPMNTPNINM-UHFFFAOYSA-N 428.510 4.094 5 20 IIBD CSc1ccc(NC(=O)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1Cl 427861318 SHIGJVJZBSQNJH-UHFFFAOYSA-N 447.822 4.244 5 20 IIBD CCCOc1cccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])c(OCC)c3)CC2)c1 431822496 JRLPEPOAAVBTJN-UHFFFAOYSA-N 428.489 4.136 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC(c2c[nH]c3ncccc23)CC1 433026359 DWQHRTIUQRXFHZ-UHFFFAOYSA-N 429.274 4.253 5 20 IIBD CCCCS(=O)(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 433619210 UWHFXYXEUCEMIZ-UHFFFAOYSA-N 428.413 4.022 5 20 IIBD CCCOc1ccc2c(c1)CCN(C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C2 435386347 WIHNQIAVUPSCOS-UHFFFAOYSA-N 436.411 4.192 5 20 IIBD C[C@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)C1CC1 435546793 XBMXDNZJLSABFL-CYBMUJFWSA-N 441.871 4.267 5 20 IIBD COc1cc(OC)cc(OCCCN(C)C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 437028755 CDCZDYWIIWFSKJ-UHFFFAOYSA-N 442.390 4.172 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCC([C@H]2CCCO2)CC1 439891881 QNOICVZNRBODRP-QGZVFWFLSA-N 439.299 4.119 5 20 IIBD C[C@H]1CN(CCCCNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 442684500 SSGHKXGMQLHZJL-HDICACEKSA-N 443.569 4.365 5 20 IIBD CC[C@H]1Cc2c(Br)cccc2CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 444871475 KTHXZEIPEDCLKQ-ZDUSSCGKSA-N 439.331 4.102 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3nc(C(C)C)n(-c4ccccc4F)n3)n2)c1 445576169 UMWZQLLOPZGOIQ-UHFFFAOYSA-N 438.419 4.087 5 20 IIBD COc1cc(Cc2noc(-c3nc(-c4ccco4)sc3C)n2)c([N+](=O)[O-])c(OC)c1 445826366 WBYTUBATNNGCSQ-UHFFFAOYSA-N 428.426 4.278 5 20 IIBD COc1cc(CNc2nnc(SCc3ccc(Cl)cc3)s2)cc([N+](=O)[O-])c1O 447957104 XKDNPIDMGLSSOD-UHFFFAOYSA-N 438.918 4.718 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N(Cc3cccc(F)c3)C3CC3)n2C[C@H]2CCOC2)c1 461365881 LQPDKCKQYBHHAM-QGZVFWFLSA-N 437.475 4.198 5 20 IIBD COc1ccccc1-c1ccc([C@H](C)NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 462495935 RJSJJQKONCHZIT-INIZCTEOSA-N 426.494 4.451 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)cc1 462564784 IXQFHBZQCBALKL-UHFFFAOYSA-N 445.324 4.275 5 20 IIBD O=C(NCCCO[C@H]1CCOC1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 465077897 RWZVDRHOBACAFX-INIZCTEOSA-N 436.917 4.325 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCN(CC2CC2)c2ccccc21 466929535 BJMGFOZWYNIPQA-UHFFFAOYSA-N 442.324 4.327 5 20 IIBD O=C(N[C@@H]1CCc2n[nH]cc2C1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 467642130 VHDFFQKCGWYOTF-CQSZACIVSA-N 428.901 4.410 5 20 IIBD CN(C)[C@H](CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 469566492 FBRKSCUYRPDHGY-HXUWFJFHSA-N 447.461 4.407 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 475854146 WRDJOSSMWPCHRT-GOSISDBHSA-N 437.265 4.029 5 20 IIBD Cc1ccc(CNC(=O)C2CCN([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cc1 477049417 NOGYDLQYEINIOT-QGZVFWFLSA-N 449.511 4.043 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(CCC(=O)N2CCCC2)cc1 477448009 OGWLCWVIQWIVBF-UHFFFAOYSA-N 444.919 4.167 5 20 IIBD CCCC[C@](C)(NC(=O)CCn1cc([N+](=O)[O-])nc1C)c1cccc(Br)c1 478120808 JUGNJRUVRPAKST-IBGZPJMESA-N 437.338 4.474 5 20 IIBD Cn1nc(CCNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c2ccccc21 478816536 TUCUDBLGRKIYJN-UHFFFAOYSA-N 429.480 4.066 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 479778033 PUKZLRYPGBNHAG-KRWDZBQOSA-N 445.273 4.266 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 479779761 RSJKHUJJFPHDJF-OAHLLOKOSA-N 429.452 4.108 5 20 IIBD COc1ccc(OCCN[C@@H](c2ccccc2)c2nc3ccccc3n2C)c([N+](=O)[O-])c1 481416451 PKQUSGBVALLFNZ-QHCPKHFHSA-N 432.480 4.248 5 20 IIBD Cc1c(CNC(=O)C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cccc1[N+](=O)[O-] 483818195 LTEZRQGQBFDBJC-UHFFFAOYSA-N 446.488 4.435 5 20 IIBD O=C(O)c1cc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])ccc1Cl 484578675 WVWUHRFRWGGYTN-UHFFFAOYSA-N 425.633 4.054 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2ccc(Br)s2)nn1 484583815 MVCYGENKJMGXDR-UHFFFAOYSA-N 435.259 4.137 5 20 IIBD COC(=O)c1cc(NC(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)c(C)c([N+](=O)[O-])c1 486864884 GWQNWFHTXOHLKP-INIZCTEOSA-N 440.500 4.037 5 20 IIBD CCOc1ccc(-c2nc(C)c(C(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)s2)cc1 487028626 ZIPCQFYRQLTDLX-UHFFFAOYSA-N 441.513 4.099 5 20 IIBD Cc1c(C(=O)N2CC[C@@H](C(F)(F)F)c3ccccc32)nnn1-c1cccc([N+](=O)[O-])c1 492073104 YQIBTYIYOYWVLE-MRXNPFEDSA-N 431.374 4.180 5 20 IIBD O=C(NCCCc1nnc2n1CCCC2)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 497685413 CXWNQGPWNQSPNW-UHFFFAOYSA-N 437.525 4.036 5 20 IIBD CCCCc1ccc([C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c2cccs2)cc1 499298041 IERNRFFHOATTPQ-JOCHJYFZSA-N 425.510 4.066 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1ccc(Br)cc1Cl 500472731 AYIIZVYSZYEOME-UHFFFAOYSA-N 426.075 4.465 5 20 IIBD O=[N+]([O-])c1ccc(CCS(=O)(=O)NC2(c3cccc(C(F)(F)F)c3)CCC2)cc1 503440590 XESVWTIVFABLTG-UHFFFAOYSA-N 428.432 4.155 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3ccn(-c4ccncc4)n3)cc2[N+](=O)[O-])n1 505119202 IRTBYYXDMXHYEE-UHFFFAOYSA-N 438.494 4.344 5 20 IIBD COc1ccc(-c2cc(NC(=O)CCn3cc([N+](=O)[O-])cn3)ccc2OC(F)F)cc1 508915456 NQTOXJVPIMUOEM-UHFFFAOYSA-N 432.383 4.097 5 20 IIBD O=C(CCCC(=O)c1ccc(Cl)c(Cl)c1)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 509094615 CHMNQYXBGBGOIP-UHFFFAOYSA-N 435.267 4.447 5 20 IIBD O=C(c1ccc(Oc2ccncc2)c(Cl)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 510086767 QMGKJYXWFDNWOL-UHFFFAOYSA-N 438.871 4.398 5 20 IIBD Cc1ccccc1[C@H]([C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)N(C)C 510544861 JPJQYLYKQYRTNX-VLIAUNLRSA-N 434.334 4.016 5 20 IIBD Cc1ncc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3I)cc2)o1 510683482 GKCNLSSYNGCNSK-UHFFFAOYSA-N 449.204 4.415 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1CSc1nnc([C@H]2COc3ccccc3O2)n1C 511110629 YPIACNSNVXLAEV-LJQANCHMSA-N 442.497 4.315 5 20 IIBD COCCOc1ccccc1NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 512169671 PHHKQGDUDRGPAC-IAGOWNOFSA-N 427.501 4.355 5 20 IIBD CCOc1cc(C(=O)N2CCCc3cc(OC(F)(F)F)ccc32)c([N+](=O)[O-])cc1OC 512382835 ONLVVFOHAMIEPA-UHFFFAOYSA-N 440.374 4.494 5 20 IIBD Cc1c(NC(=O)c2csc([N+](=O)[O-])c2)cccc1C(=O)N1CCc2sccc2C1 514570618 BONFENQVTNCBRT-UHFFFAOYSA-N 427.507 4.477 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(OCc2csc(N(C(C)=O)c3ccc(F)cc3)n2)c1 515431033 ODEFFLNWMPRFAC-UHFFFAOYSA-N 445.428 4.241 5 20 IIBD Cc1csc([C@@H](NCc2cc(I)cc([N+](=O)[O-])c2)C2CC2)n1 516515257 OOOQYRMAIBPRTB-AWEZNQCLSA-N 429.283 4.205 5 20 IIBD COc1cc(C(=O)NC[C@@H](C)N2CCCC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 518037931 XJMPOMNLMZLLNB-CQSZACIVSA-N 433.892 4.263 5 20 IIBD COc1cc(OC)cc([C@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c2nccn2C)c1 518771245 NYNUYAXBQBUJLO-QHCPKHFHSA-N 448.479 4.485 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCCC(=O)Nc1ccc(Cl)cc1 520388831 HOEWJDLRNMRURC-LBPRGKRZSA-N 440.283 4.204 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H](C)C[C@H]2CCCO2)cc1[N+](=O)[O-] 522545770 HQJXJOHXGJBCPE-GDBMZVCRSA-N 428.510 4.235 5 20 IIBD C[C@H]1CN(Cc2ccccc2NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)O1 522641501 LPIBMVLHOBTTKE-IYBDPMFKSA-N 447.919 4.265 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccc(C(C)(C)C(N)=O)cc2)cc1[N+](=O)[O-])c1ccccn1 523517666 PIRNCWSTGIFTNA-HNNXBMFYSA-N 447.495 4.178 5 20 IIBD COc1cc(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)cc([N+](=O)[O-])c1OC 525020274 WAGZRFMVRMQENA-UHFFFAOYSA-N 434.754 4.459 5 20 IIBD CCO[C@@H]1C[C@H](NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C12CCC2 525521597 KIVGGODJHZXVFH-JKSUJKDBSA-N 439.299 4.165 5 20 IIBD Cc1ccc(Cn2nccc2NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1 531270760 HSIWABNHRVYZBX-UHFFFAOYSA-N 429.274 4.092 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N(C)c2cccc([N+](=O)[O-])c2)c1 532826482 PPYAMYFUTFHFLY-UHFFFAOYSA-N 439.493 4.087 5 20 IIBD CCN(CCC1CCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])CC1)CC1CC1 536635627 PYQNUGPOYYKPBF-UHFFFAOYSA-N 435.590 4.300 5 20 IIBD COc1sc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1Br 536677254 FPANBEFRZVSBJX-UHFFFAOYSA-N 427.320 4.471 5 20 IIBD CC[C@@H](CSc1ccccc1[N+](=O)[O-])Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 540825040 UTBRSIWOAIGEHP-HNNXBMFYSA-N 446.554 4.167 5 20 IIBD CCc1ccc([C@H](NCc2ccccc2CN2CC[C@H](O)C2)c2ccc([N+](=O)[O-])cc2)o1 541571348 PZVVVORIVHJDTM-WIOPSUGQSA-N 435.524 4.196 5 20 IIBD CS(=O)(=O)N1CCc2c(NCc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)cccc21 542711745 BOTWGYALEWISGY-UHFFFAOYSA-N 447.900 4.442 5 20 IIBD Cc1ccc(CCCCC(=O)N2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)cc1 543700984 VHJMYXZJFURNNY-UHFFFAOYSA-N 435.528 4.231 5 20 IIBD COc1cc(Br)ccc1CCCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] 544173846 YHLHJTNEMIAXMN-UHFFFAOYSA-N 436.306 4.140 5 20 IIBD COc1cc(Cc2noc(-c3ccc(C)c(NC(=O)c4ccco4)c3)n2)ccc1[N+](=O)[O-] 545787530 YYLFZXOIXPPGNI-UHFFFAOYSA-N 434.408 4.398 5 20 IIBD CCOc1ccc(-c2noc(CCc3nc(Cc4ccc([N+](=O)[O-])c(C)c4)no3)n2)cc1 547199096 SIDHPVIHXSVZNH-UHFFFAOYSA-N 435.440 4.111 5 20 IIBD CC(C)(C(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccccc1[N+](=O)[O-] 550961523 IFLFGUMBODTMGH-UHFFFAOYSA-N 438.505 4.485 5 20 IIBD O=C(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)N1N=C(c2cccs2)C[C@H]1c1ccco1 554176335 AHJLJTSHIGQAAJ-IBGZPJMESA-N 447.476 4.491 5 20 IIBD O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CC[C@H](CC2CC2)C1 554638066 YYSFUGHOJBASLO-OAHLLOKOSA-N 425.451 4.479 5 20 IIBD O=C(CCSc1nnc(-c2ccc(OC(F)F)cc2)o1)Nc1ccc([N+](=O)[O-])cc1 557895137 UHBPOSXFNYKFAW-UHFFFAOYSA-N 436.396 4.367 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3ccc(OCC(=O)O)c(Cl)c3)cc2[N+](=O)[O-])CC1 557981904 FOSDBXLSNRUJAU-UHFFFAOYSA-N 447.875 4.200 5 20 IIBD Cc1c(Br)cc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cc1[N+](=O)[O-] 561182957 KQMMLOLUEGTMQY-AOIWGVFYSA-N 445.313 4.310 5 20 IIBD COc1ccccc1O[C@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 562115603 WGZVNMMPXROVPZ-AWEZNQCLSA-N 437.399 4.280 5 20 IIBD O=C(Nc1ccnc(Oc2ccc(F)cc2F)c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 564420759 AYNRIARXAPODJX-UHFFFAOYSA-N 442.378 4.487 5 20 IIBD COc1cc(Cc2noc(-c3ccc(OC(F)(F)F)cc3)n2)c([N+](=O)[O-])c(OC)c1 564773729 IRKSAFBNXNXJRE-UHFFFAOYSA-N 425.319 4.151 5 20 IIBD CC(C)(C)CCOc1cnccc1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] 569027610 UHFVZISNHJMVEN-UHFFFAOYSA-N 436.306 4.497 5 20 IIBD CCCN(C)[C@@H](CNC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1ccc(Cl)cc1 576131619 ZLRFAACCEOARFI-FQEVSTJZSA-N 442.903 4.315 5 20 IIBD CCS(=O)(=O)c1ccc([C@H](C)Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)cc1 579337117 DVYFJLNWHCSPOQ-AWEZNQCLSA-N 429.473 4.763 5 20 IIBD O=C(NC[C@@H](c1ccccc1)N1CCc2sccc2C1)c1ccc([N+](=O)[O-])cc1F 603963609 UUWFTMSONPLPPK-FQEVSTJZSA-N 425.485 4.325 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 604159828 ZYVBPAOFTAENSW-LBPRGKRZSA-N 444.900 4.203 5 20 IIBD COc1ccc(C[C@H](NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c2ccccc2)cc1OC 608948523 BZXWWRNOJRIHBI-IBGZPJMESA-N 436.464 4.334 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(Sc2nncs2)c(Cl)c1 609108128 NIWURJKMZPAHDO-UHFFFAOYSA-N 442.931 4.360 5 20 IIBD O=C(CCN1CCc2[nH]c3ccc(Br)cc3c2C1)Nc1ccccc1[N+](=O)[O-] 609196723 DWMYAJOVGGVPBP-UHFFFAOYSA-N 443.301 4.226 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(-c2cn3cccc(C)c3n2)cc1 609719964 FHCMXUMFTAUNDG-UHFFFAOYSA-N 438.465 4.027 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)cc([N+](=O)[O-])c1 609837194 GMBYFCPRTZGAEI-UHFFFAOYSA-N 428.832 4.090 5 20 IIBD C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 610043929 YZJCUIYBIPKOCY-QGZVFWFLSA-N 438.528 4.006 5 20 IIBD O=C1CCCCN1CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC1 611207059 YVFXYVOJQGSZTF-UHFFFAOYSA-N 445.585 4.494 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1csc(-c2c(F)cccc2F)n1 726216612 ACKKGGORSJDVOD-UHFFFAOYSA-N 444.375 4.404 5 20 IIBD COc1ccc(CC(=O)Nc2cccc(C)c2C(=O)NCCc2ccccc2)cc1[N+](=O)[O-] 727665760 MUYBUWOVEBGVQI-UHFFFAOYSA-N 447.491 4.066 5 20 IIBD CCC(CC)c1nnc(NC(=O)c2ccc(I)c([N+](=O)[O-])c2)s1 727746934 GQINHCQYFIVQLU-UHFFFAOYSA-N 446.270 4.207 5 20 IIBD O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccc(-c2ccccc2F)o1 729192078 GOXHHWSDFAAIIJ-UHFFFAOYSA-N 425.416 4.462 5 20 IIBD C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1cc2ccccc2s1 730508477 ZQDAZOSGMSFRJV-JSGCOSHPSA-N 427.457 4.179 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CCCc2cc(Cl)cc(F)c21 731596624 SWNSRBFONNIXBU-UHFFFAOYSA-N 449.685 4.291 5 20 IIBD CCCCOc1ccccc1COC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 732496648 DEBATHVOCCXNHN-MRXNPFEDSA-N 432.498 4.183 5 20 IIBD CC(C)(Oc1cccc(Cl)c1)C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 733053878 OSYQUCHUQLEJSR-INIZCTEOSA-N 446.887 4.254 5 20 IIBD CCN(C)C(=O)c1cccc(OC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1 733765374 SWBZBFBZTZOHGU-CALCHBBNSA-N 439.512 4.388 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 734997190 ZYNLIDCMQSUUBC-UHFFFAOYSA-N 428.228 4.237 5 20 IIBD C[C@H](C(=O)O[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccsc1 738827880 MONYFTHLJMBHBJ-NWDGAFQWSA-N 431.495 4.454 5 20 IIBD C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)CC[C@H]1c1ccccc1 742417189 JDHBGBXRLQKTRY-YLJYHZDGSA-N 429.542 4.009 5 20 IIBD C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 744221158 QBAMXEFLZPIRMY-ZDUSSCGKSA-N 430.917 4.377 5 20 IIBD CCOC(=O)c1nc(-c2ccccc2)oc1COC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 744491076 VSNUFMAGHYGMRZ-UHFFFAOYSA-N 430.800 4.437 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(N2CCc3sccc3C2)cc1 748692205 JJQDXAPZWWWFJW-UHFFFAOYSA-N 445.522 4.028 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 749501662 HDBKXCPFRDZJMX-XMCHAPAWSA-N 426.448 4.433 5 20 IIBD O=C(COC(=O)c1ccc(Br)cc1[N+](=O)[O-])Nc1cccc(Cl)c1Cl 750969312 ZFWWSFZPSUPNEB-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](CCN3CCCC3=O)c3ccccc32)c1 751334305 AKBJESTTWPSJEV-OAHLLOKOSA-N 425.510 4.073 5 20 IIBD O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccn(-c2cccc(Br)c2)n1 751660236 OJQRMXMCCPSNKC-UHFFFAOYSA-N 443.213 4.041 5 20 IIBD C[C@@H](OC(=O)c1cccnc1C1CC1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 751759458 WOGFMLUXMMOEAQ-GFCCVEGCSA-N 438.465 4.175 5 20 IIBD C[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C 752439600 TXDRUWPRMSFALN-TZMCWYRMSA-N 443.953 4.102 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N(Cc2ccccc2)C[C@H](O)c2cccs2)cc1[N+](=O)[O-] 755871222 JSTGCSQMXSBUIF-IBGZPJMESA-N 441.465 4.249 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cccc(OCC(F)F)n2)cc1)c1cccc([N+](=O)[O-])c1 760332088 ZAXGYXFTDQZYID-UHFFFAOYSA-N 443.362 4.105 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@H](c2nc(Cc3ccc(Br)cc3)no2)C1 761314230 UQHCVGRHNPXUCJ-INIZCTEOSA-N 429.230 4.197 5 20 IIBD CC(C)(C(=O)OC[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F 763015891 TYIXSWKZCINTCY-MRXNPFEDSA-N 428.460 4.107 5 20 IIBD O=C1CCCc2cc(OC(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc2N1 764926507 NFHBCSIRXQETNM-UHFFFAOYSA-N 437.374 4.296 5 20 IIBD Cc1c(NC(=O)[C@@H](C)Sc2nccn2-c2ccc(N(C)C)cc2)cccc1[N+](=O)[O-] 765625966 UJDXEOCTJSGDQQ-OAHLLOKOSA-N 425.514 4.274 5 20 IIBD Cc1cc(S(=O)(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc([N+](=O)[O-])c1F 768263510 STRLRIBYTMZWBP-UHFFFAOYSA-N 428.656 4.308 5 20 IIBD COCCOc1ccc(C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c(Cl)c1 770423356 VWJOPHRMMYCVHF-UHFFFAOYSA-N 432.816 4.285 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)Cc1cc(Cl)ccc1Br 771394352 ZSJHVKHIQKTLCJ-UHFFFAOYSA-N 441.665 4.044 5 20 IIBD Cc1cnc(COC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)s1 771892458 BJVIVDWSKIKEGY-UHFFFAOYSA-N 429.420 4.338 5 20 IIBD C[C@@H](Nc1ccc(C(=O)OCC2CCC3(CC2)OCCO3)cc1[N+](=O)[O-])c1ccccn1 774437107 NLBKPJAPCVVFHC-MRXNPFEDSA-N 441.484 4.253 5 20 IIBD CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)c1cc(F)ccc1[N+](=O)[O-] 774776201 AWOKYMPJSDRHKW-MRXNPFEDSA-N 439.281 4.264 5 20 IIBD C[C@@H](N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 776013744 ZBYQRJSBSCRKFR-MPBGBICISA-N 431.876 4.087 5 20 IIBD C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776135187 RJJLYWGAXQHMJL-DNVCBOLYSA-N 429.473 4.125 5 20 IIBD Cn1c(CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)nc2cc(Cl)ccc21 779443236 JYUABLJANGUCMX-UHFFFAOYSA-N 438.669 4.219 5 20 IIBD C[C@@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F 781597377 SCTBYRIYTPKPAY-LLVKDONJSA-N 433.371 4.058 5 20 IIBD CCCOc1cc(OC)ccc1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 789214967 XXSNYALEKSTIDI-LBPRGKRZSA-N 436.848 4.230 5 20 IIBD C[C@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@@H](O)c1c(Cl)cccc1Cl 790919294 LZNKZBBWVJUBLA-WNWIJWBNSA-N 435.666 4.475 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(OS(=O)(=O)c2csc([N+](=O)[O-])c2)c(Cl)c1 790931006 AARYJKWRTAQCHF-UHFFFAOYSA-N 434.879 4.424 5 20 IIBD COc1ccccc1CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc2nc(O)[nH]c2c1 792875059 XVAIITCDTYCVGB-UHFFFAOYSA-N 449.423 4.300 5 20 IIBD Cc1ccc(NCCCNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])c([N+](=O)[O-])c1 798294247 NZGPHNXRSHCTBH-UHFFFAOYSA-N 435.440 4.105 5 20 IIBD O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 798299671 LVGDENVAASFETC-KRWDZBQOSA-N 432.263 4.427 5 20 IIBD O=C(N[C@@]1(Cc2ccc(Cl)cc2)CCOC1)c1cccc([N+](=O)[O-])c1Br 800344349 FJXATPDLECDXLY-GOSISDBHSA-N 439.693 4.142 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-])c1ccccn1 803410019 UUUPPWRBNBLJHG-MRXNPFEDSA-N 449.467 4.386 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1cc(F)c(Br)c(Cl)c1 803636168 VMEMPRASDFHPLV-UHFFFAOYSA-N 427.617 4.138 5 20 IIBD O=C(OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1nc2ccccc2cc1Cl 810576932 USSNOJDWAHSLSR-OAHLLOKOSA-N 439.855 4.258 5 20 IIBD COCCn1c(-c2ccc3ccccc3n2)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 812091146 CGCVNOVAPCZDJX-UHFFFAOYSA-N 444.495 4.217 5 20 IIBD COCCCCN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] 815000119 RMIYTKRMUNKPHG-UHFFFAOYSA-N 430.885 4.005 5 20 IIBD O=C(NCCc1ccc(Br)cc1F)c1cc([N+](=O)[O-])ccc1C(F)(F)F 815520614 HBVSBTAJJGHMII-UHFFFAOYSA-N 435.171 4.488 5 20 IIBD C[C@@H](c1ccc(F)cc1)N1CCC[C@H](OC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1=O 816402383 IXNWSCDCFHTLIE-QKKBWIMNSA-N 439.443 4.053 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)c1 816846484 BCUOQQXDPVOBLU-CQSZACIVSA-N 435.546 4.369 5 20 IIBD COc1cc(NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)c(OC)cc1Cl 821132484 QZIYTGVUUNTXKO-UHFFFAOYSA-N 441.676 4.373 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1ccc(O)cc1O 849120490 VQVLDROKRMJIAP-IBGZPJMESA-N 442.811 4.196 5 20 IIBD O=C(CSc1nncs1)Nc1cc(Cl)c([N+](=O)[O-])cc1OCc1ccccc1 917610851 XDMWNEOOOWTPKA-UHFFFAOYSA-N 436.902 4.410 5 20 IIBD Cc1c(C(=O)OCC(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 919223479 CLEILPUEJSPZTB-HNNXBMFYSA-N 443.456 4.044 5 20 IIBD O=C(Cc1ccc(Cl)c(Cl)c1)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 920147621 HBZQHWQEJXGRGJ-UHFFFAOYSA-N 431.659 4.071 5 20 IIBD CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 920207887 NLJZXNQOKAHNQT-GXTWGEPZSA-N 427.448 4.103 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)ccc2OC(C)C)c([N+](=O)[O-])c1 920617678 LUFMPLJTECYMCY-GFCCVEGCSA-N 436.848 4.228 5 20 IIBD Cc1nc([N+](=O)[O-])c(Br)n1CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 920750985 RBNMYZIRVGIVAL-ZETCQYMHSA-N 436.093 4.046 5 20 IIBD CC(C)c1nc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(F)c([N+](=O)[O-])c4)C3)cc2s1 921157224 OBXAGNADNLNXBB-LBPRGKRZSA-N 442.472 4.459 5 20 IIBD O=c1ccc(-c2nnc(-c3cccc([N+](=O)[O-])c3)o2)cn1CCOc1ccccc1Cl 1117203802 MHSDZFIHQQLUQR-UHFFFAOYSA-N 438.827 4.206 5 20 IIBD CCc1cc(C(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)nn1C 1254421893 AVAIFHITFGOHEV-UHFFFAOYSA-N 428.832 4.016 5 20 IIBD Cc1ccc(-c2nnc(N(C)CCc3cccc([N+](=O)[O-])c3)n2C[C@H]2CCOC2)c(C)c1 1263518108 GILUFZRYJXPLNO-HXUWFJFHSA-N 435.528 4.186 5 20 IIBD O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)c1nc(C2CC2)n(-c2ccccc2)n1 1320870594 HSCZAAQGNUKTOX-UHFFFAOYSA-N 443.257 4.172 5 20 IIBD CCOc1ccc(C2=CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3N)CC2)cc1 1321445721 HNKJVERQFXMJTC-UHFFFAOYSA-N 446.301 4.268 5 20 IIBD C[C@H](C(=O)Nc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1)c1cccc([N+](=O)[O-])c1 1339078148 UNESCHVYIBEACW-ZETCQYMHSA-N 443.325 4.106 5 20 IIBD C[C@H]1CCc2sc(-c3nnc(-c4cc([N+](=O)[O-])ccc4N4CCOCC4)o3)cc2C1 1345802515 YVWKQMNBCAAYFP-ZDUSSCGKSA-N 426.498 4.335 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@H]3C3CC3)cc2)CCC1 1786057569 VUIYUCLDKZDOLH-VQTJNVASSA-N 449.507 4.403 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3F)CCC2)cc1)c1cscn1 1787420170 PEOQFSAGHMVMPB-UHFFFAOYSA-N 440.456 4.252 5 20 IIBD CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)Cc3cc([N+](=O)[O-])ccc3F)CCC2)cc1 1787700984 CSIMSUQJNRSWCG-UHFFFAOYSA-N 427.476 4.457 5 20 IIBD C[C@H](Cc1ccccc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1cccc([N+](=O)[O-])c1 1793943574 AKQJPRYQLMDOPK-TWHAJKEOSA-N 449.551 4.044 5 20 IIBD CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3cccc([N+](=O)[O-])c3)n[nH]2)CCCC1 1814372789 DICFEFMNOLXGOR-LJQANCHMSA-N 439.516 4.133 5 20 IIBD CC(C)=CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1 1830257261 LXFRLUYLXNUPAQ-HXUWFJFHSA-N 443.544 4.280 5 20 IIBD Cc1c(Cl)cccc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1c(F)ccc([N+](=O)[O-])c1C 1847368329 KJKVLWKNBDXUKT-OALUTQOASA-N 445.878 4.133 5 20 IIBD COC(=O)c1ccc(C(=O)O[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)cc1 9479210 JNQJUXCFKMKOEE-OAQYLSRUSA-N 448.431 4.227 5 20 IIBD Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)cc1 10264075 JINNUOXVCVHICT-GFCCVEGCSA-N 431.905 4.471 5 20 IIBD Cc1ccc(NC(=O)[C@H](Sc2ncnc3c2cnn3C)c2ccccc2)c([N+](=O)[O-])c1 11677101 DSFZGTDYZQJIGA-GOSISDBHSA-N 434.481 4.052 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)CCSc2ccc(Cl)cc2)c([N+](=O)[O-])c1 16718154 WMTRRPHSLBEFGC-GFCCVEGCSA-N 438.889 4.309 5 20 IIBD Cc1ccc(-c2nc(CC(=O)OCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])cs2)cc1 17205327 NYIURDSMRUGQQM-UHFFFAOYSA-N 445.884 4.405 5 20 IIBD COc1ccc(C)cc1CC(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 17987287 QPJQHEYBFBHYEI-GFCCVEGCSA-N 440.374 4.044 5 20 IIBD C[C@@H](OC(=O)Cc1coc2cc3c(cc12)CCC3)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 21689141 CNHZPRKUUZUKMP-GFCCVEGCSA-N 426.400 4.082 5 20 IIBD CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)s1 21902209 CQGRCJRIJKQFNZ-UHFFFAOYSA-N 436.902 4.322 5 20 IIBD CN(C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 24771272 KEBWIBVPLGJXII-UHFFFAOYSA-N 449.492 4.250 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 31960134 DECMPIMNLWXWMW-CQSZACIVSA-N 434.539 4.430 5 20 IIBD CCOc1ccc(-c2nc(C(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)cs2)cc1 57567450 MIXGOEFZSOVGNA-UHFFFAOYSA-N 438.509 4.079 5 20 IIBD O=C(NCc1cccc(CN2CCCCCC2)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 61503582 SPZCUZKYTZIQHX-UHFFFAOYSA-N 433.512 4.087 5 20 IIBD CN(C)CCN(CCCc1ccccc1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 65323535 VFASNRZXYDMBKZ-UHFFFAOYSA-N 438.553 4.355 5 20 IIBD Cc1ccc(CN2C[C@@H](C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)CC2=O)cc1 69157845 ZAKOPCOBLXXJPQ-KRWDZBQOSA-N 436.493 4.014 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(CNc3ccc(Br)cc3[N+](=O)[O-])cc2)C[C@@H](C)O1 109076299 FAHIPGIWLNKDAX-OKILXGFUSA-N 448.317 4.219 5 20 IIBD CNC(=O)Cc1ccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 237143341 FNFUBPQWBCAJHZ-UHFFFAOYSA-N 435.480 4.083 5 20 IIBD CNS(=O)(=O)c1ccc([C@H](C)NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 237391528 ZTVBRPUVNAFMEB-AWEZNQCLSA-N 431.539 4.082 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(Nc2cccc(C[S@](=O)c3ccccc3)c2)s1 302142698 FWQDILJRTXTCMV-MHZLTWQESA-N 436.536 4.111 5 20 IIBD O=[N+]([O-])c1cc(I)ccc1Oc1cnc2cc(F)c(F)cc2n1 302497426 UQKFIBQAIGYBHZ-UHFFFAOYSA-N 429.120 4.213 5 20 IIBD Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 430402382 RYZAGYSNUFHXJK-UHFFFAOYSA-N 425.485 4.101 5 20 IIBD CSc1ccc([C@@H](CC(=O)O)NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1 431788284 KBHFQFPQOYUOJL-CQSZACIVSA-N 440.930 4.394 5 20 IIBD COc1ccc(C[C@@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])c2ccccc2)cc1OC 435721862 GBEXIGIJVVUPTB-LJQANCHMSA-N 436.464 4.334 5 20 IIBD COc1cccc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2O)c1OCc1ccccc1F 436674506 IIMDLOHQMGIQEU-UHFFFAOYSA-N 440.427 4.299 5 20 IIBD O=C(NCCc1nc(-c2cccc(Cl)c2)no1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437279480 XKMYMWOKZLLXIC-UHFFFAOYSA-N 440.765 4.290 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCC[C@@]2(CCCc3ccccc32)C1 440005003 UILIYOSREQZWIL-VWLOTQADSA-N 449.507 4.180 5 20 IIBD O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 444542770 IHUKGMSMVUUSHR-UHFFFAOYSA-N 429.436 4.301 5 20 IIBD C[C@@H](NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1nc(-c2ccc(Br)cc2)no1 444670323 GQRWPNUASVLFIT-SNVBAGLBSA-N 443.261 4.134 5 20 IIBD CCOc1ccc(NC(=O)Cc2noc([C@@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)cc1 445342703 LOBFTGNZRZOVII-CYBMUJFWSA-N 428.470 4.411 5 20 IIBD O=c1c2c(-c3cccs3)csc2ncn1Cc1nc(-c2ccc([N+](=O)[O-])s2)no1 445484156 VSVBYYIMRYKUTM-UHFFFAOYSA-N 443.491 4.255 5 20 IIBD COc1cc(C(=O)Nc2ncnc3c2c(C)c(C)n3Cc2ccccc2)ccc1[N+](=O)[O-] 445939470 VBRYYTHSNWCNFT-UHFFFAOYSA-N 431.452 4.266 5 20 IIBD Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1 446031172 JNWSVCWMMLFYFQ-LAUBAEHRSA-N 447.329 4.492 5 20 IIBD O=C(Nc1cccc(-c2cccs2)c1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 446878363 XGFZAXCCAAHWKP-UHFFFAOYSA-N 439.449 4.062 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2CC(F)(F)F)c(Br)c1 446993246 HRPHBWAKOSHREL-UHFFFAOYSA-N 439.209 4.263 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@H]3[C@H]3CCCO3)n2Cc2cccs2)c1 461309678 PEVTTXDFCMXOHJ-RBUKOAKNSA-N 425.514 4.111 5 20 IIBD COc1cc(N[C@H](C)c2ccc(Br)cc2OCCCO)ccc1[N+](=O)[O-] 461995712 ODINNXNJUUDNMB-GFCCVEGCSA-N 425.279 4.300 5 20 IIBD Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 463125397 WCEWDJYDXQGFHH-UHFFFAOYSA-N 449.307 4.466 5 20 IIBD CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C 464048721 ODKAMIUHWAKXBT-HNNXBMFYSA-N 448.317 4.050 5 20 IIBD NC(=O)c1ccc(SCC(=O)N2Cc3ccccc3C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 464215578 NCMSYSLZHLOKII-FQEVSTJZSA-N 447.516 4.112 5 20 IIBD CC(C)[C@H](O)CCNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 465971770 HLEWZRFAXLKSJQ-QGZVFWFLSA-N 439.871 4.386 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Sc2nc(O)c(C)c(-c3ccccc3)n2)c([N+](=O)[O-])c1 467201861 PEVZZJXDIVNGHH-ZDUSSCGKSA-N 440.481 4.194 5 20 IIBD CN(CCC1CCN(c2ccncc2)CC1)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl 467229352 KIHACMAIYISRTJ-UHFFFAOYSA-N 431.924 4.091 5 20 IIBD Cc1noc(CCCNC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)n1 467291062 UDEKBMNCFOYTKJ-UHFFFAOYSA-N 432.889 4.453 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(N2CCCCC2)c2ncccc12 473059542 ROQLDSHAYPPAAW-UHFFFAOYSA-N 433.468 4.019 5 20 IIBD COc1cc(CN2CCSC[C@@H]2c2nccs2)c([N+](=O)[O-])cc1OCC(F)(F)F 473063429 RHVKQHISPHYOEF-CYBMUJFWSA-N 449.476 4.291 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)OC(C)C 474146878 YJIFQLLQEUQSQR-JOCHJYFZSA-N 427.501 4.444 5 20 IIBD CC(C)CO[C@H](C)c1noc(CN(C)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)n1 475211939 COKHGCZKFWASMG-LLVKDONJSA-N 445.398 4.394 5 20 IIBD CCc1nc([C@@H](C)NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)n[nH]1 477291619 GQZPLJFAXNBMOQ-GFCCVEGCSA-N 428.880 4.032 5 20 IIBD CC[C@@H](CC(=O)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1)c1ccc(C)cc1 478088618 TWGSICIOZAAOSU-SFHVURJKSA-N 435.528 4.402 5 20 IIBD COc1cc(C(=O)NCc2nc(C(C)C)cs2)c([N+](=O)[O-])cc1OCc1cscn1 478723421 QCGPBBXSWXSPTK-UHFFFAOYSA-N 448.526 4.149 5 20 IIBD Cc1c(CNC(=O)Nc2cc(F)c(F)cc2I)cccc1[N+](=O)[O-] 484530058 DZPROOKBWHELJD-UHFFFAOYSA-N 447.179 4.108 5 20 IIBD CC(=O)Nc1nc2ccc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cc2s1 486176420 GQACSNSEQZHKDB-UHFFFAOYSA-N 442.500 4.362 5 20 IIBD Cc1c(C(=O)Nc2cccc(Cl)c2Br)nnn1-c1cccc([N+](=O)[O-])c1 486818252 BBDWUZDFLUWKGB-UHFFFAOYSA-N 436.653 4.152 5 20 IIBD CC(C)OC(=O)c1ccc(Cl)c(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1 486971323 AOVQLDOHFAAZFV-UHFFFAOYSA-N 428.832 4.251 5 20 IIBD C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1 487678706 WPGWJOBIJFLUHB-ZDUSSCGKSA-N 433.411 4.463 5 20 IIBD CCCN(C(=O)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C)[C@@H](CC)c1ccccc1 487846997 YZRIEZZNVFEJQY-IBGZPJMESA-N 441.484 4.018 5 20 IIBD C[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 488011952 FRJCTMNAWJMEJW-CYBMUJFWSA-N 430.892 4.200 5 20 IIBD COc1cc(CN2CCc3c(ncn3-c3ccc(C)cc3)C2)c([N+](=O)[O-])cc1OC(F)F 488039033 BYKQRZDLTMUUNW-UHFFFAOYSA-N 444.438 4.257 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NCC2CC(F)(F)C2)c([N+](=O)[O-])c1 488455874 ALLDDUHBAOUDIY-UHFFFAOYSA-N 425.457 4.267 5 20 IIBD C[C@H]1CN(C2CCOCC2)CCN1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 488539927 UXYXTOIQSKPMBP-KRWDZBQOSA-N 440.500 4.104 5 20 IIBD C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 488877657 HUZYLFWNLQXTMU-GFCCVEGCSA-N 435.937 4.193 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C 490037497 SJWVQSCGPKYHSP-CXAGYDPISA-N 444.431 4.073 5 20 IIBD CN(Cc1cc(Br)cs1)C(=O)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 490207172 QLQGNAZLDNHJBL-UHFFFAOYSA-N 438.347 4.042 5 20 IIBD CCOc1cc2c(cc1NC(=O)c1csc(-c3cccc([N+](=O)[O-])c3)n1)OCCO2 490577709 GZSCIHUDHJHFCK-UHFFFAOYSA-N 427.438 4.141 5 20 IIBD COc1cccc(-c2noc([C@@H](C)NC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)n2)c1 494457110 RBEAGDBOMNPQRO-CQSZACIVSA-N 437.456 4.089 5 20 IIBD O=C(Nc1ccnn1Cc1ccc(Cl)c(F)c1)c1cc([N+](=O)[O-])ccc1OC(F)F 498184914 YHONCEWPNJDTQX-UHFFFAOYSA-N 440.765 4.486 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)cc1[N+](=O)[O-] 498945661 ANYGKJZPHZLCBQ-UHFFFAOYSA-N 443.916 4.333 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 499510281 NBDURFHPGPQCQE-CYBMUJFWSA-N 439.365 4.244 5 20 IIBD COc1ccc2c(C)cc3nnc(SCc4nnc(-c5ccc([N+](=O)[O-])cc5)o4)n3c2c1 500903113 JLGJQYZXUFLZEY-UHFFFAOYSA-N 448.464 4.450 5 20 IIBD COc1cccc(-n2nc(C)c([C@H]3COCCN3Cc3ccc(C)c([N+](=O)[O-])c3)c2C)c1 501775605 WRGIAVOGEVWDRF-HSZRJFAPSA-N 436.512 4.288 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2ccn(CC(=O)NC)c2c1 503416482 BHVPYHLFNDZFJW-UHFFFAOYSA-N 426.498 4.050 5 20 IIBD C[C@@H](NC(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 505964696 DNMMSQODCPKYBS-QGZVFWFLSA-N 432.480 4.450 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1 506011337 BEGBMRNLQYGPMF-KRWDZBQOSA-N 443.459 4.166 5 20 IIBD C[C@@H](NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccccc1Oc1ccccc1 506170146 IZHBYHYRGYLWHN-QGZVFWFLSA-N 448.479 4.064 5 20 IIBD CCc1nc(C)c(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)s1 510387455 AGNQYGDEKQWBKZ-UHFFFAOYSA-N 431.255 4.087 5 20 IIBD Cc1cnc(COCC(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)o1 512713750 GOTRRTBSDNFSGC-UHFFFAOYSA-N 449.822 4.309 5 20 IIBD O=C(c1cccc(O)c1)N1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 513145569 VGNQBKIHYJNSOE-UHFFFAOYSA-N 441.871 4.172 5 20 IIBD C[C@@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1=O 513522084 PUUPGXJFLWGLQB-UGSOOPFHSA-N 441.484 4.431 5 20 IIBD CC(C)[C@H](NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 513566868 IGICCKAXSHBYSI-KRWDZBQOSA-N 444.431 4.144 5 20 IIBD Cn1cc(CN2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 513724191 DNZPRBYBMUJUAZ-HXUWFJFHSA-N 444.438 4.170 5 20 IIBD COCCO[C@@H]1CCCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 513768892 CYBOILGGXKMOLJ-GOSISDBHSA-N 430.526 4.322 5 20 IIBD C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1Cl 515442064 DJSSIPFFMISMHQ-GFCCVEGCSA-N 445.859 4.244 5 20 IIBD Cc1ccc(NC(=O)c2ccccc2)cc1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 515664105 DMJAABXHINOJTQ-UHFFFAOYSA-N 430.464 4.157 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1cccc(NC(=O)c2ccccc2)c1 515761302 VZJIPOXMFBRQAO-OAHLLOKOSA-N 434.452 4.295 5 20 IIBD COc1cc2c(cc1Cl)CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)CC2 517197136 YRUUWCMDGPXDGG-UHFFFAOYSA-N 439.693 4.147 5 20 IIBD O=C(CCc1nnc(-c2cc3ccccc3o2)o1)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 518815948 BRRRAGZIJRCENM-UHFFFAOYSA-N 444.407 4.148 5 20 IIBD COc1cc(CNCc2cc(I)cc([N+](=O)[O-])c2)c2ccccc2n1 518843092 UPROXVLOYGJXFD-UHFFFAOYSA-N 449.248 4.046 5 20 IIBD Cc1cc(=O)c(C(=O)Nc2ccc3c(ccn3CC(C)C)c2)nn1-c1ccccc1[N+](=O)[O-] 519978151 HERGWLADCWVVFA-UHFFFAOYSA-N 445.479 4.312 5 20 IIBD O=C(NCCC(=O)N(Cc1ccccc1F)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 520636123 NHNVJFWPLANBPR-UHFFFAOYSA-N 439.418 4.226 5 20 IIBD COc1ccc([C@@H](Cc2ccccc2C)NC(=O)CNc2ccccc2[N+](=O)[O-])cc1OC 521577168 LRKAXIJNKZGTFR-OAQYLSRUSA-N 449.507 4.433 5 20 IIBD COC(=O)[C@H]1CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c2ccccc21 530501326 WNDDPVHIERPULL-IBGZPJMESA-N 431.448 4.124 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N(CCCO)Cc1cccc(Cl)c1 533834254 DMZKKLAHOATUNB-UHFFFAOYSA-N 431.901 4.397 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(C[S@](=O)Cc3coc(-c4cccc(F)c4)n3)co2)cc1 534061615 MHZMHWTZBZJQSQ-PMERELPUSA-N 427.413 4.493 5 20 IIBD O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1cccc([N+](=O)[O-])c1N1CCOCC1 537340370 GVPOXEDUXJAPCP-MRXNPFEDSA-N 433.917 4.052 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2c(ncn2CCc2ccccc2)C1 539417253 MBUGZJFOMAKTHM-UHFFFAOYSA-N 436.537 4.345 5 20 IIBD O=C(Nc1ccc(-n2ncc3ccccc32)cc1)c1cccc([N+](=O)[O-])c1N1CCOCC1 539594750 FDXWLVYMAYGHDH-UHFFFAOYSA-N 443.463 4.023 5 20 IIBD COc1cc(N2CCOC(C)(C)C2)ccc1N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 539658922 KDVDAACQNWQMOC-MRXNPFEDSA-N 442.516 4.048 5 20 IIBD CCc1nc2ccccc2n1C1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 540054221 OIJCNKZKTWAHNA-UHFFFAOYSA-N 449.511 4.142 5 20 IIBD O=C(NCCc1csc2ccccc12)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 540513922 KYLXYLMCHNNASI-UHFFFAOYSA-N 425.495 4.051 5 20 IIBD CCc1ccc([C@@H](NCc2ccc(CS(C)(=O)=O)cc2)c2ccc([N+](=O)[O-])cc2)o1 542476284 DZPSXVBGQABWRZ-QFIPXVFZSA-N 428.510 4.174 5 20 IIBD CCOC(=O)c1cc(-c2nc(Cc3ccc(Br)s3)no2)cc([N+](=O)[O-])c1 544977887 NJXOPLCYDAZFBY-UHFFFAOYSA-N 438.259 4.236 5 20 IIBD CCOC(=O)c1cc(-c2nc(-c3cccc(NC(=O)C4CCC4)c3)no2)cc([N+](=O)[O-])c1 545568005 VDOXVJVCNFRWTO-UHFFFAOYSA-N 436.424 4.227 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCCCc2cccc(C)n2)c([N+](=O)[O-])c1 553578497 VDNCDJSKYOVTBS-UHFFFAOYSA-N 433.464 4.361 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2ccccc2)C1 554412465 QUYLMFRNRBVTHD-QGZVFWFLSA-N 428.510 4.270 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1ccn2C 558687946 XYPTVVFTVBNOIL-UHFFFAOYSA-N 435.221 4.252 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)Nc2cccc(OCc3cccnc3)c2)cc1[N+](=O)[O-] 560210476 PARKTBPBCIMZSR-UHFFFAOYSA-N 448.479 4.444 5 20 IIBD Nc1ncc(Br)cc1CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] 561076390 JQONVBZLOAEEKD-UHFFFAOYSA-N 427.258 4.178 5 20 IIBD CC[C@@]1(CNC(=O)c2sc(Br)cc2[N+](=O)[O-])OCCc2ccccc21 566710432 ZFLIGBZBKSWPAL-KRWDZBQOSA-N 425.304 4.027 5 20 IIBD CC(C)NC(=O)c1ccc(N[C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)c([N+](=O)[O-])c1 567282501 UIDZZOMGGISDJU-FOIQADDNSA-N 442.491 4.036 5 20 IIBD CC[C@@H](c1ccccc1)c1nnc(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])s1 569156060 QKUWSFVIJYIHFH-KRWDZBQOSA-N 425.514 4.695 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(Br)c2Cl)c(Cl)c1 582798770 GZMPHWWCDQQHFE-UHFFFAOYSA-N 426.075 4.465 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(-c3nc([C@@H]4CN5CCC[C@@]5(C)CO4)no3)cc2[N+](=O)[O-])C1 584747521 LCIFHZQLQAUTOB-BORIIKKCSA-N 441.532 4.053 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN3CCCN(Cc4ccc(Cl)cc4)CC3)o2)cc1 591879865 POODPUWYIZORGG-UHFFFAOYSA-N 427.892 4.006 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1nc2c(s1)CCN(Cc1ccccc1)C2 603672110 IDGQEZFEPJWABZ-UHFFFAOYSA-N 440.550 4.340 5 20 IIBD C[C@H](NC(=O)CCc1nc(O)c2c3c(sc2n1)C[C@H](C)CC3)c1cccc([N+](=O)[O-])c1 604108544 IRYUKRIABZWCGN-OLZOCXBDSA-N 440.525 4.240 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(OCCc2ccccc2)CC1 604471730 VMRFEDNOMORXSV-INIZCTEOSA-N 432.904 4.266 5 20 IIBD O=C(CCn1cc([N+](=O)[O-])cn1)Nc1nc(C2CC2)c(Cc2ccccc2Cl)s1 608850270 LVZXGCVFOIAVGH-UHFFFAOYSA-N 431.905 4.398 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCCCNC(=O)c3cccs3)c([N+](=O)[O-])c2)cc1 608974025 UMGMLPZMESJVDH-UHFFFAOYSA-N 438.509 4.449 5 20 IIBD COC(=O)Cn1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)n1 609013453 PVHNRIGASXAXCJ-UHFFFAOYSA-N 446.872 4.021 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSc1nnc(-c2cccc(Cl)c2)o1 609750201 APMCZVJNBOYBTE-UHFFFAOYSA-N 432.845 4.389 5 20 IIBD Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)SCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 609770247 HXTNALIDRJPHEE-CVEARBPZSA-N 443.525 4.200 5 20 IIBD O=C(c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCC2(CCCC2)CC1 609998376 LBAWOOSIWLJLNK-UHFFFAOYSA-N 443.525 4.192 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 610597952 LKDCIGVTUFAWNB-TXEJJXNPSA-N 425.329 4.008 5 20 IIBD CCOC(=O)CC[C@@H]1CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 611047776 GNCNPAUUMJJPHO-IBGZPJMESA-N 439.512 4.402 5 20 IIBD O=C(NCCCNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)c1ccc(F)cc1 611205423 HXSGHLIFRPDJCU-UHFFFAOYSA-N 445.516 4.319 5 20 IIBD O=C(O)c1cccc(CNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c1 617338526 OBKDLPMZEZHXFF-UHFFFAOYSA-N 428.448 4.436 5 20 IIBD CN1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 619872257 MJQGZMFSMACJSS-GOSISDBHSA-N 433.574 4.143 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)CCc1ccc(Cl)c(Cl)c1 725979313 WUTFSAYCOWIXRA-NSHDSACASA-N 441.267 4.413 5 20 IIBD C[C@H](OC(=O)CCc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 727535718 VGLYENDEYSEKMH-NSHDSACASA-N 444.337 4.136 5 20 IIBD Cc1ccccc1-c1nc(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cs1 727562118 RMVVUKDFSPTJOA-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD Cc1nnc(SCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])n1CCc1cccs1 727653729 IMEQSOKGKQWENL-UHFFFAOYSA-N 437.934 4.183 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 727710176 HZCLIRNOJSRQAH-HXUWFJFHSA-N 437.839 4.443 5 20 IIBD C[C@H](OC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)no1)C(=O)Nc1ccc([N+](=O)[O-])cc1 730858745 HAQZVUAEPHDVCX-NSHDSACASA-N 449.341 4.453 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)c([N+](=O)[O-])c1 731273117 YHFYENCZBZSRBW-UXHICEINSA-N 434.448 4.432 5 20 IIBD Cc1ccc(COc2cccc(NC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)c2)cc1 732015132 OQUAOHDAWAVUPU-UHFFFAOYSA-N 440.477 4.138 5 20 IIBD CC(C)(C)OC(=O)NC[C@](C)(NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 732104643 IMABYYIASQYWTR-NRFANRHFSA-N 446.529 4.142 5 20 IIBD C[C@H]1CCCCN1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 733777460 CGBLPKWCSAUVSX-PMACEKPBSA-N 428.577 4.312 5 20 IIBD O=[N+]([O-])c1c(Nc2cccc(CS(=O)(=O)c3ccc(F)cc3F)c2)nc2ccccn12 735301784 OAUJWGIBROYFEO-UHFFFAOYSA-N 444.419 4.238 5 20 IIBD COc1ccc([C@H]2[C@@H](COC(=O)c3cc(SC)ccc3[N+](=O)[O-])CCC(=O)N2C)cc1 735785243 ULVRRCJZALXCAV-VFNWGFHPSA-N 444.509 4.092 5 20 IIBD O=C(c1cccc2ccccc12)N1CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 738021694 JKLJURZGKZQXSR-UHFFFAOYSA-N 441.491 4.027 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Br)C1CCN(Cc2ccccc2)CC1 739580106 OOVWDANYKRQJFF-UHFFFAOYSA-N 433.302 4.313 5 20 IIBD CC(C)C(=O)Nc1cccc(OS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 742296762 IPPXPHZLOHRMNC-UHFFFAOYSA-N 433.269 4.264 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)c1nc(Cc2ccccc2)no1 745074867 WRNMVXXMVHUPOL-LLVKDONJSA-N 432.230 4.249 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)Cc2cccc([N+](=O)[O-])c2)c2ccccc2)c([N+](=O)[O-])c1 745334070 BZYCHVJUAFKVHD-QFIPXVFZSA-N 449.419 4.277 5 20 IIBD C[C@@H](CC(=O)c1cccc(F)c1)C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 745396081 FIHIRSHLERTAOT-QWHCGFSZSA-N 427.388 4.297 5 20 IIBD COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 745568358 LXOPOANRIBRMQE-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD Cc1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2F)c2cnn(Cc3cccs3)c2n1 746895203 IMMZWOYSBHBHNH-UHFFFAOYSA-N 426.429 4.254 5 20 IIBD Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 747634023 BMZPCIOSUGIIMT-WIYYLYMNSA-N 434.521 4.475 5 20 IIBD COc1ccccc1OCCN(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 750841877 USEGNSULIVBFMH-UHFFFAOYSA-N 443.681 4.170 5 20 IIBD CCc1ccc(NC(=O)c2nnc(COC(=O)c3cc(F)cc(C)c3[N+](=O)[O-])s2)cc1 752556137 XXSVYOAYMXFPGB-UHFFFAOYSA-N 444.444 4.066 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)Nc2ccc(-n3nccn3)cc2C(F)(F)F)cc1[N+](=O)[O-] 752643912 LXXSMJDUTHECBT-GFCCVEGCSA-N 434.378 4.385 5 20 IIBD CCc1ccc([C@H](NCCS(=O)(=O)Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)o1 753634814 UAWNLTXQDQAMQV-JOCHJYFZSA-N 428.510 4.044 5 20 IIBD CC(C)(C)OC(=O)N1CCc2c(NC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)cccc21 753784114 JQWMRTKWAFMYTD-UHFFFAOYSA-N 449.467 4.330 5 20 IIBD CC(C)(C)O[C@@H](C(=O)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 754531792 VRWMTUWBLFHDBU-GOSISDBHSA-N 434.876 4.078 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)OCc2cc3ccccc3s2)cc1[N+](=O)[O-] 754750326 MULVCEIGEUNORV-UHFFFAOYSA-N 426.479 4.446 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCCC[C@H]1c1noc(C2CC2)n1 755007695 VYSQZTIPTASFDK-LBPRGKRZSA-N 439.241 4.124 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 758803175 WHTQZTSKIFAGOA-HRCADAONSA-N 437.562 4.227 5 20 IIBD O=[N+]([O-])c1ccc(I)c(-c2nc(-c3cccc4cnccc34)no2)c1 761968660 CTVNYIGKAPTNJA-UHFFFAOYSA-N 444.188 4.465 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N(C)C2CCN(C)CC2)cc1 763958911 ISELMASRJJJRES-UHFFFAOYSA-N 428.558 4.490 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 764215856 CWEMCWOTFXLFPO-UHFFFAOYSA-N 441.831 4.399 5 20 IIBD O=C(CCSCc1nc(O)c2c3c(sc2n1)CCC3)Oc1cc(F)cc([N+](=O)[O-])c1 771639846 XAZMFTUSYRHUKQ-UHFFFAOYSA-N 449.485 4.162 5 20 IIBD CC(C)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cn1 772393114 QDDODTRKNNUWHR-ZDUSSCGKSA-N 440.481 4.421 5 20 IIBD CCCCn1cc(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)c(C)n1 773626127 HDNYWJBHQUYIDU-UHFFFAOYSA-N 429.702 4.246 5 20 IIBD O=C(O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1cn(-c2ccccc2Cl)nn1 776134666 OAMMPUSXRYNOKI-HXUWFJFHSA-N 435.827 4.170 5 20 IIBD O=C(O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 776139378 UJPQQMQGWPMHKE-NRFANRHFSA-N 445.391 4.030 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OC2CCC3(CC2)OCCO3)cc1 776546724 KZFTTXXNNAXNPV-UHFFFAOYSA-N 429.425 4.238 5 20 IIBD Cc1cc(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nn1-c1cccc(Cl)c1 777154201 HRLJTEKVUZECHV-UHFFFAOYSA-N 439.815 4.149 5 20 IIBD O=C(NCCSCc1ccnc(Cl)c1)c1cc(F)cc([N+](=O)[O-])c1Br 777453525 ORURIDUCVUVGQL-UHFFFAOYSA-N 448.701 4.208 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@](O)(c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 777735261 YKNFCYNQEMJFOM-ILBGXUMGSA-N 449.482 4.316 5 20 IIBD CCN(C(=O)c1ccc(I)c([N+](=O)[O-])c1)[C@@H](C)Cc1ccsc1 778227096 UNXXRWXLDNVDJA-NSHDSACASA-N 444.294 4.354 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)cc1 778296061 VWOYSJIAKQCCBK-NSHDSACASA-N 443.485 4.438 5 20 IIBD CC[C@@H](C)n1ncc2c(C(=O)O[C@@H]3CCN(c4ccc([N+](=O)[O-])cc4F)C3)cc(C)nc21 778811274 QOBVBXXGJRTKMH-GDBMZVCRSA-N 441.463 4.194 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)Cc2ncc(Cl)n2C)cc1 779055396 IGLXYHCNROHARX-UHFFFAOYSA-N 430.848 4.055 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2csc(-c3ccc(F)c(F)c3)n2)cccc1[N+](=O)[O-] 780133790 IZGUGQIUHUODEJ-NSHDSACASA-N 447.419 4.489 5 20 IIBD COC(=O)C[C@@H]1CN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c2ccccc21 780786078 FQMNTDGWYDFDOQ-CYBMUJFWSA-N 448.425 4.267 5 20 IIBD CCN(CC)C(=O)c1ccc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1Cl 781613036 RWBWGHLDEMVIDW-UHFFFAOYSA-N 448.863 4.210 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 782072216 YLPBRSUEFKSCFM-UHFFFAOYSA-N 436.509 4.104 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1 783900593 IRYNEMSTXCZMKE-UHFFFAOYSA-N 444.465 4.030 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 784566606 LVLRYZNHTUDGRW-UHFFFAOYSA-N 426.307 4.091 5 20 IIBD Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 786928575 FBRZEQLKYPMYRD-UHFFFAOYSA-N 449.442 4.159 5 20 IIBD C[C@H](OC(=O)c1cc2ccccc2n1CC(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1 787189273 NYUQLZZBHTUXBB-LBPRGKRZSA-N 435.358 4.296 5 20 IIBD Cc1cnc(COC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c(C)c1[N+](=O)[O-] 789430645 MEMDMENPBIUGGR-UHFFFAOYSA-N 429.436 4.211 5 20 IIBD Cc1cnc(COC(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)c(C)c1[N+](=O)[O-] 789442406 HJQBCCLOBSTMKN-UHFFFAOYSA-N 427.848 4.075 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCCCC1 790554585 JBWHFXRLGBNRHB-HXUWFJFHSA-N 449.910 4.282 5 20 IIBD C[C@@H](CC(=O)c1ccccc1F)C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791172363 NTEFBBLJVWTSDK-LBPRGKRZSA-N 449.276 4.290 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(F)c(N3CCOC3=O)c2)CC1 794110551 HYSJECWOWCCMGA-UHFFFAOYSA-N 442.447 4.179 5 20 IIBD O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 794602065 LQPAZECSOKBUMX-UHFFFAOYSA-N 430.282 4.155 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)COc3cc(F)c([N+](=O)[O-])cc3Cl)cc2)C[C@@H](C)O1 795247208 DYQCWZVWNPASLG-BETUJISGSA-N 437.855 4.018 5 20 IIBD O=C(COc1cc(F)c([N+](=O)[O-])cc1Cl)Nc1cc2c(cc1Cl)OCCCO2 795248029 USTXBIUBWRADLG-UHFFFAOYSA-N 431.203 4.220 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)O[C@@H]2CC(C)(C)Oc3ccccc32)cc1[N+](=O)[O-] 799435520 MCDOMZRJOLOZTF-QGZVFWFLSA-N 440.481 4.334 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCc1ccccc1Oc1cccc(F)c1 800605849 UWGNIOSNULVISC-UHFFFAOYSA-N 441.390 4.229 5 20 IIBD O=C(COC(=O)c1ccccc1Oc1ccncc1)Nc1cc([N+](=O)[O-])ccc1Cl 801499191 LSXBZFSPSXGFKR-UHFFFAOYSA-N 427.800 4.231 5 20 IIBD O=C(Nc1ccccc1[C@@H](O)c1ccccn1)c1cc(F)cc([N+](=O)[O-])c1Br 807979510 HUZLKLUESSIJMT-GOSISDBHSA-N 446.232 4.225 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H]2c2nc(C3CCCCCCC3)no2)c1 809440879 NQSDONRCBRPJBM-GOSISDBHSA-N 434.518 4.332 5 20 IIBD O=[N+]([O-])c1ccc(N2CCCCC2)c(-c2nc(-c3cc(OCC(F)F)ccn3)no2)c1 809447958 LEJBGHKHJVPQFJ-UHFFFAOYSA-N 431.399 4.341 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2-c2nc(-c3cccc(N4CCNC4=O)c3)no2)CC1 809456767 AZMKDIOKFSQKDG-UHFFFAOYSA-N 448.483 4.078 5 20 IIBD C[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccc(N2CCCNC2=O)cc1 812759485 ZYNHZFHCXITITG-MRXNPFEDSA-N 440.503 4.092 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC[C@@H]21 814155732 ZJTPOYBVTSBXAR-WMZOPIPTSA-N 431.533 4.364 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)cc1Br 814398915 PFAJKIXHXMQTED-KRWDZBQOSA-N 437.315 4.273 5 20 IIBD CC(=O)N(c1ccc(Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])cc1)[C@@H]1C[C@H]1C 814943431 GANHJHUHTFWGMI-PIGZYNQJSA-N 439.440 4.096 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1(OCc2ccccc2)CCOCC1 815221251 AHJUBQYMCJWHBM-UHFFFAOYSA-N 439.386 4.423 5 20 IIBD O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)C1(Cc2cccc(F)c2)CCOCC1 815954100 RLDYQXUKJVFODJ-UHFFFAOYSA-N 440.427 4.472 5 20 IIBD CCOC(=O)[C@@H](F)C1CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 817673081 AITMCQXBIZTKGY-SFHVURJKSA-N 436.823 4.014 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(N=S(C)(C)=O)cc1 820373620 OIMUCPVDGZLOSV-UHFFFAOYSA-N 426.292 4.277 5 20 IIBD O=C(COC(=O)c1cnn(-c2ccccc2)c1C1CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] 913335843 KQVNNDXPRSTLAA-UHFFFAOYSA-N 440.843 4.107 5 20 IIBD Cc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 920551653 CKXDMDXPUSWUEE-CYBMUJFWSA-N 442.859 4.141 5 20 IIBD CC1CCN(CCc2nnc(-c3ccc(N[C@@H](C)c4ccccn4)c([N+](=O)[O-])c3)o2)CC1 1117251088 SUXWILMZUYLLMQ-KRWDZBQOSA-N 436.516 4.487 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1c1nnc(-c2cccc([N+](=O)[O-])c2)o1 1322140982 SKUIZKKTUFIICC-MRXNPFEDSA-N 428.832 4.284 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)NC1CCN(c2cccc(F)c2)CC1 1324407981 FJQKXSGWFFXBDH-UHFFFAOYSA-N 437.269 4.287 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1)c1ccc2c(c1)COC2 1785749020 YDBKOBKLRKVMPR-UHFFFAOYSA-N 447.447 4.280 5 20 IIBD COc1cc(C(=O)NC2(c3ccc(NC(=O)[C@H]4CC4(F)F)cc3)CCC2)ccc1[N+](=O)[O-] 1789135421 TVSCAMPXABMIST-MRXNPFEDSA-N 445.422 4.006 5 20 IIBD Cc1ocnc1C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3F)CCC2)cc1 1789893297 WCXVDKJNXINUFH-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD C/C=C(/C)C(=O)NC1(c2ccc(NC(=O)Cc3cc(F)ccc3[N+](=O)[O-])cc2)CCC1 1792309772 LVPWVDRMTAUQEK-CQPUUCJISA-N 425.460 4.377 5 20 IIBD O=C(Cc1cc(F)ccc1[N+](=O)[O-])N1CCC([C@@H]2CCCCN2C(=O)C2CCCC2)CC1 1826258443 QPPSHEGLTMMVKG-NRFANRHFSA-N 445.535 4.086 5 20 IIBD C[C@@H]1C[C@]1(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1830216019 HVGYBZQOHJVOMN-MOADCYBESA-N 441.572 4.193 5 20 IIBD CC[C@H](C)[C@@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 1847208765 SUWXNNSLRQGEDX-ZDKQOFBKSA-N 449.551 4.169 5 20 IIBD COc1cc(C(=O)OCC(=O)N2CCCCC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 3455478 GNJHZHFKQXGEBT-UHFFFAOYSA-N 448.859 4.218 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 11549644 VXOJJYPAPHYLBH-GFCCVEGCSA-N 444.900 4.053 5 20 IIBD CCCOc1ccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1OCCC 15726868 FAALSLOCZRSNMM-UHFFFAOYSA-N 425.445 4.005 5 20 IIBD COc1ccc(CN(C)C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(OC)c1 17920109 QVOUUBZQPGZJHH-UHFFFAOYSA-N 441.406 4.091 5 20 IIBD COc1ccc(NC(=O)COC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)c([N+](=O)[O-])c1 18441388 CGWZHNUOMNDPTA-AWEZNQCLSA-N 438.436 4.051 5 20 IIBD COCc1cccc(NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)c1 25824818 GLDMXNYREAUPFP-UHFFFAOYSA-N 433.464 4.291 5 20 IIBD CCOC(=O)c1cc(C(=O)N[C@H](C)c2ccc(OC(C)C)c(OC)c2)cc([N+](=O)[O-])c1 31515838 BLOXBRSKZOXQAX-CQSZACIVSA-N 430.457 4.058 5 20 IIBD Cc1ccc(NC(=O)C[C@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)cc1[N+](=O)[O-] 36741838 IULCKENDCXKQPU-FQEVSTJZSA-N 434.452 4.434 5 20 IIBD Cc1cc(NCc2cccc(C(=O)NCc3ccco3)c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 60860428 BYDLZLDDWVTQBZ-UHFFFAOYSA-N 443.463 4.495 5 20 IIBD Nc1ccc(C(=O)N2CCCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 97491528 ORHPFBAETBLPQH-INIZCTEOSA-N 437.283 4.117 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(c2nc3ccccc3[nH]2)CC1 303402273 RYOVOOYOJIXQGZ-ZDUSSCGKSA-N 427.892 4.331 5 20 IIBD COC(=O)[C@@H](NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1cccs1 426404650 IRMSJFSWYVCQBH-SFHVURJKSA-N 428.491 4.452 5 20 IIBD Cc1nc(C)n(Cc2cccc(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])c2)n1 427141438 BZTSFIXXXWECRY-UHFFFAOYSA-N 449.389 4.045 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(CO)c1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 428075703 HUCSJVUXPVKFED-QFIPXVFZSA-N 426.856 4.025 5 20 IIBD C[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1noc(-c2ccc(Cl)cc2)n1 430484398 NAUJFUTTYQSVBX-NSHDSACASA-N 427.848 4.364 5 20 IIBD Cc1ccc([C@@H](C)N2C(=O)[C@H](c3cccc(Br)c3)N(C)C2=O)cc1[N+](=O)[O-] 431955410 VCOLDINMRRGWGD-PXAZEXFGSA-N 432.274 4.362 5 20 IIBD O=c1[nH]c(/C=C\c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)nc2cnccc12 434940652 YEWMWULLXIFSKC-FLIBITNWSA-N 436.431 4.249 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 439456974 AUEQSNGFACINKA-UZUQRXQVSA-N 448.483 4.242 5 20 IIBD C[C@@H](NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])C(=O)NCc1ccccc1 440675910 HRKRWLHCKYVSKD-MRXNPFEDSA-N 435.505 4.181 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1csc(Br)c1)C1CC1 443637933 KMPANYDPNUGOLK-UHFFFAOYSA-N 440.319 4.031 5 20 IIBD Cc1nc(COc2ccc(NC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)cc2)no1 444008416 FWWPRSZXOLWAKI-UHFFFAOYSA-N 444.422 4.343 5 20 IIBD C[C@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)[C@H]1CCN(Cc2ccccc2)C1 444304884 YFKHNMXRTUWULR-HKUYNNGSSA-N 443.522 4.461 5 20 IIBD C[C@H](C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1cccc(C(=O)c2ccccc2)c1 444632939 QULZYBFCIMTFRJ-HNNXBMFYSA-N 428.448 4.122 5 20 IIBD COc1cc(Cc2noc(-c3cccc(OC(F)(F)F)c3)n2)c([N+](=O)[O-])c(OC)c1 445816045 RPKHVRKKQQCJAV-UHFFFAOYSA-N 425.319 4.151 5 20 IIBD Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 446407676 ZKTGHRUAKGFSSD-UHFFFAOYSA-N 427.411 4.470 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCC(n2cc(Cl)cn2)CC1 447675154 KTRKEELBZWQHKN-UHFFFAOYSA-N 425.745 4.335 5 20 IIBD COCCc1nc(=NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)s[nH]1 461212553 ZKIGZQBBSQHXCT-UHFFFAOYSA-N 438.868 4.254 5 20 IIBD COc1ccc([C@H]2CCCN2c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCOC2)cc1 461577561 MWFXTJIUYDVBGT-VGOFRKELSA-N 449.511 4.240 5 20 IIBD O=C(c1ccccc1)c1ccc(NCc2ccccc2CN2CCC(O)CC2)c([N+](=O)[O-])c1 462935968 RZXGSOPIXUYRRS-UHFFFAOYSA-N 445.519 4.395 5 20 IIBD O=[N+]([O-])c1cc(I)ccc1NCCc1nc(C(F)(F)F)cs1 463056142 VMLUOUKFLFIJHE-UHFFFAOYSA-N 443.188 4.329 5 20 IIBD Cc1ccc(CNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])c(OC[C@H]2CCCO2)c1 466812694 CMCYPZFTUMBUQC-LJQANCHMSA-N 427.501 4.211 5 20 IIBD COC(=O)C[C@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 467216386 KGAQCTOECPBSKR-INIZCTEOSA-N 426.256 4.005 5 20 IIBD CC(C)Cc1ccc([C@H](NC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)C2CC2)cc1 469069580 VCRFPTBZVDYBIV-DEOSSOPVSA-N 449.507 4.328 5 20 IIBD COc1cccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)c2cc(F)ccc2OC)c1 471439780 BXWSPZZSPLECDU-JOCHJYFZSA-N 440.427 4.279 5 20 IIBD Cc1c(COc2ccccc2)cccc1NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 471459355 OQGUVWGQFQKPNZ-UHFFFAOYSA-N 440.477 4.138 5 20 IIBD Cc1cn([C@@H](C)c2ccccc2)nc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 471569885 KIAONRNDNWBENE-HNNXBMFYSA-N 437.481 4.058 5 20 IIBD COC(=O)[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C[C@H]1C 475376900 ZKCAQKRXDGEBAU-IUODEOHRSA-N 437.290 4.248 5 20 IIBD Cc1cc(=O)c(C(=O)N2c3ccccc3CC[C@H]2C(C)C)nn1-c1ccccc1[N+](=O)[O-] 476298907 XCCGKMYZRQJXIU-SFHVURJKSA-N 432.480 4.067 5 20 IIBD Cc1nn(C)cc1CNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 478251868 MLYZBYVXMYQXLE-GZTJUZNOSA-N 447.520 4.494 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3cc(C4CCCCC4)nn3C)cc2)c(C)c1[N+](=O)[O-] 478765347 UUOPZMQOXJGZAM-UHFFFAOYSA-N 436.516 4.490 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cc1-n1cnnn1 482574618 JKEBRPLSPLRVSY-UHFFFAOYSA-N 432.465 4.282 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CSc1nnc(Nc2cccc(NC(C)=O)c2)s1 485380240 PNQFWFUQBZSGND-UHFFFAOYSA-N 431.499 4.449 5 20 IIBD CC(C)(C)OCc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)no1 485545252 FMNLAHLMACXBGO-UHFFFAOYSA-N 438.484 4.440 5 20 IIBD O=C(NCCOc1ccc(Cl)cn1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 485729831 HWQNSZBSCILJCW-UHFFFAOYSA-N 427.844 4.031 5 20 IIBD CSc1cccc(C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c1[N+](=O)[O-] 486207356 SZHKBKSMBCMDBF-AWEZNQCLSA-N 436.493 4.455 5 20 IIBD C[C@H](Sc1nnc(Cc2ccccc2F)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 488862133 UNYXUJMEKCJHTF-JTQLQIEISA-N 436.852 4.480 5 20 IIBD COc1cc(CN2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn34)C2)ccc1[N+](=O)[O-] 489976521 HHNLEWQVMHVHMR-AWEZNQCLSA-N 435.406 4.045 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O 489977556 CGNPLKPQLGSNBV-QGZVFWFLSA-N 449.479 4.156 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2C[C@@H](CC(=O)N(C)C)c3cc(Cl)ccc32)cc1[N+](=O)[O-] 493260469 SIDOAMNUPAONBY-GDBMZVCRSA-N 444.919 4.409 5 20 IIBD CCCO[C@@H]1CCCN([C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 495034482 CSWAXLNTSLWLGT-CRAIPNDOSA-N 432.546 4.326 5 20 IIBD O=C1Nc2cc(Cl)ccc2S[C@H]1CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 497569653 PKLPTIGDOMZYEU-SFHVURJKSA-N 431.901 4.242 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 498411088 QEHJMVORNMXLHS-UHFFFAOYSA-N 430.386 4.124 5 20 IIBD O=C(NCc1ccccc1N1CCCCC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 498468948 BHMDCMHHAWVCAH-UHFFFAOYSA-N 438.528 4.338 5 20 IIBD C[C@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@H](OC1CCOCC1)c1ccccc1 499420257 ICXRONFCLQLRGX-HJPURHCSSA-N 435.480 4.198 5 20 IIBD Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CNCCn1cc([N+](=O)[O-])cn1 499685164 PWGMMANIEPXSMF-UHFFFAOYSA-N 436.447 4.007 5 20 IIBD Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1c([N+](=O)[O-])cnn1C 500897029 BYGQARQDGQVAHS-UHFFFAOYSA-N 447.373 4.160 5 20 IIBD O=c1c([N+](=O)[O-])cc(Br)cn1CC/C=C/c1ccc(Br)cc1 502133247 QPXXWCUAMQQPDJ-HNQUOIGGSA-N 428.080 4.385 5 20 IIBD CS(=O)(=O)[C@@H]1CCCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 503098948 JOAXLXNDFXFLCF-MRXNPFEDSA-N 438.933 4.440 5 20 IIBD Cc1cc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)nn1CCCOc1ccc(F)cc1 504340690 HBUXPTKJCWXRAV-UHFFFAOYSA-N 437.431 4.442 5 20 IIBD CC[C@H](CSc1ccc(C)c(C)c1)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 504656332 XODISBKEGLRONL-AEFFLSMTSA-N 445.541 4.096 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)cc1[N+](=O)[O-] 505186093 UJDRZGVPHJLAAO-PZJWPPBQSA-N 446.525 4.158 5 20 IIBD COc1ccc(NC(C)=O)c(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c1 509841569 ZRQGNGBDTIPTJV-GJZGRUSLSA-N 440.500 4.296 5 20 IIBD COc1ccccc1OCC(=O)Nc1cccc(NC(=O)c2c(C)cccc2[N+](=O)[O-])c1 511065228 SESTZRUENWLUAV-UHFFFAOYSA-N 435.436 4.182 5 20 IIBD Cc1ccc(-n2c(SCCn3cc([N+](=O)[O-])ccc3=O)nnc2-c2ccccc2)cc1 513272509 OWCJSHAZFFNJDU-UHFFFAOYSA-N 433.493 4.105 5 20 IIBD NC(=O)CCCNC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2 515217300 ANFYMKSIWIZOSL-BMRADRMJSA-N 444.491 4.015 5 20 IIBD Cc1cc(NC(=O)CSc2nc3cc4ccccc4cc3c(=O)n2C)n(C(C)(C)C)n1 515423258 ICZCBELERHYUDC-UHFFFAOYSA-N 435.553 4.077 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)Nc1ccc2ncsc2c1)c1ccccc1[N+](=O)[O-] 520050028 DKOKEGCMJXYLJP-MRXNPFEDSA-N 428.470 4.409 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c(C)c1 522673566 FFLWJNJRJFEQRO-OAHLLOKOSA-N 429.498 4.270 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1ccc(Br)cc1[N+](=O)[O-] 525694071 JPVGZHPQLXXJBK-UHFFFAOYSA-N 445.273 4.177 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 532336617 OXRFAKKNALTSNU-UHFFFAOYSA-N 441.846 4.499 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC(C(=O)c2ccc(C)cc2C)CC1 532764404 FGRZSGSEAFAMTR-KRWDZBQOSA-N 439.512 4.142 5 20 IIBD CC(C)N(C)CC1CCN([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 533271766 WGYLWQOPWGZTSN-INIZCTEOSA-N 445.589 4.098 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1n[nH]c2c(Cl)cccc12 534252144 YQWLDPNKGVMYPO-UHFFFAOYSA-N 434.861 4.032 5 20 IIBD Cc1cccc(C(=O)N2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)CC2)c1 537147841 KSDBWLIJVHBLLJ-UHFFFAOYSA-N 441.553 4.392 5 20 IIBD O=C(CN1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] 537563878 MDVXADIYEHEJNO-OAHLLOKOSA-N 446.939 4.232 5 20 IIBD C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCC1(c2ccccc2Cl)CCOCC1 537975478 RIXLKMLOYOCWSJ-MRXNPFEDSA-N 431.920 4.303 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Br)c(=O)n(C)c1 538573510 JUQIFXKCKYFSEP-UHFFFAOYSA-N 440.319 4.201 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3cc(C)n(-c4ccccc4)n3)cc2)c(C)c1[N+](=O)[O-] 539018204 IOJVEZQPFUEUKX-UHFFFAOYSA-N 430.468 4.203 5 20 IIBD CCOc1ccc([C@H](C)N[C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)cc1[N+](=O)[O-] 539041054 JWEMVUJMRUTSFK-UZQPLGKSSA-N 433.936 4.369 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H](C)c2cccnc2)CC1 539672604 QOYYVPDLJBKHPI-KRWDZBQOSA-N 428.558 4.401 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O 540457003 SOOFFMUTLNKNKL-QGZVFWFLSA-N 433.917 4.284 5 20 IIBD Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)nn1-c1cccc(F)c1 540636046 VUMPIJQBIUXYCA-UHFFFAOYSA-N 433.237 4.172 5 20 IIBD NC(=O)[C@H](Cc1ccccc1)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 541801473 WUJUNPGZNDUWTQ-IBGZPJMESA-N 443.862 4.366 5 20 IIBD C[C@@H](C(=O)N1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1)c1ccc([N+](=O)[O-])cc1F 542553213 PNBRKUKXZVUAOA-ZBFHGGJFSA-N 439.443 4.005 5 20 IIBD COc1ccc(-c2nc(C)c([C@H](C)NCC(=O)Nc3ccccc3[N+](=O)[O-])s2)cc1 542572371 DATLPBWYNFBCOZ-ZDUSSCGKSA-N 426.498 4.325 5 20 IIBD C[C@H](Sc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C)c1nc(-c2ccc(Cl)cc2)no1 545131725 IPMYWEOJVQTQLK-JTQLQIEISA-N 443.872 4.398 5 20 IIBD Cc1ccc(C)c(SCc2noc(CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)n2)c1 546232417 UZAVZLHNFDBJGR-UHFFFAOYSA-N 440.481 4.428 5 20 IIBD Cc1cc(C)nc(SCc2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)n1 546465133 TUPGSCXSFOZBKA-UHFFFAOYSA-N 436.291 4.030 5 20 IIBD Cc1cc(Cc2noc(-c3nnn(-c4ccc(OC(F)F)cc4)c3C)n2)ccc1[N+](=O)[O-] 547266043 IVKBQADUABCTOX-UHFFFAOYSA-N 442.382 4.035 5 20 IIBD CC(C)n1ncc2c(C(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc34)cc(-c3cccs3)nc21 551157833 XIXFCQRKCBODOZ-UHFFFAOYSA-N 447.480 4.778 5 20 IIBD CC(=O)c1cc(N2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn34)C2)ccc1[N+](=O)[O-] 552924162 DODQJYLKXBDGEX-CYBMUJFWSA-N 433.390 4.243 5 20 IIBD CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C[C@@H](C)[S@]1=O 553065897 ZLCAQWUNSRCLBL-OXZBVXRUSA-N 449.960 4.232 5 20 IIBD COc1ccccc1-c1noc(C2CCN(C(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 555323273 HENHHEUMYJGREV-HNNXBMFYSA-N 436.468 4.163 5 20 IIBD CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 555736822 NYXNDNMEFOUUPR-MRXNPFEDSA-N 425.485 4.362 5 20 IIBD COc1cc(C(=O)NCc2cc3ccccc3[nH]2)c([N+](=O)[O-])cc1OCc1cscn1 558369747 CURKMFMNZQKKPS-UHFFFAOYSA-N 438.465 4.050 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1 571532313 SMEDXOOVSNLXQN-UHFFFAOYSA-N 433.530 4.015 5 20 IIBD Cc1cnn([C@H]2CCN([C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c3ccccc3)C2)c1 580261758 WBKXRVHMGJNOJP-GHTZIAJQSA-N 439.903 4.380 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cnn(-c4ccc(F)cc4F)c3C)n2)c1 580813061 VZZQGKMRPDGBKX-UHFFFAOYSA-N 427.367 4.017 5 20 IIBD C[C@H](Oc1cccc2ccccc12)c1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 581514659 AFMHHZBPTSAGHR-HNNXBMFYSA-N 432.436 4.130 5 20 IIBD COc1ccc([C@@H](Nc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])c2ccccc2)cc1 603872386 JXEKXYZXYUJLHG-DEOSSOPVSA-N 447.491 4.277 5 20 IIBD Cc1ccc(NC(=O)c2ccccc2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C 603977716 OSLNICWYWYKGJV-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD Cc1ccc(CNC(=O)c2cccc(CNC(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)c2)cc1 604131133 WJWXJXJKTZVHSP-GOSISDBHSA-N 446.507 4.394 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1CC[C@H](N2CCCC2)C1 608910154 XIARQCLUQWNJOV-RXVVDRJESA-N 428.920 4.098 5 20 IIBD C[C@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 609030069 CWPVGQNNKDKWJP-CYBMUJFWSA-N 439.331 4.347 5 20 IIBD Cc1cccc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c1C(=O)N1CCCC1 609727728 UMUGXRPDHKNIJM-UHFFFAOYSA-N 431.876 4.200 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCc3ccn(C(C)C)n3)c([N+](=O)[O-])c2)c(C)c1 609964827 SARNFHGBIUBQST-UHFFFAOYSA-N 443.529 4.402 5 20 IIBD C[C@@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCCN(C(=O)c2ccccc2)C1 610224413 PWTGUXDCSXJSKN-OAQYLSRUSA-N 433.411 4.077 5 20 IIBD CCOC(=O)c1c(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)sc(C(C)=O)c1C 611081162 APFMVHVQWAFBJT-UHFFFAOYSA-N 436.511 4.216 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N2CCC(Oc3ccccc3Cl)CC2)c([N+](=O)[O-])c1 611089963 DDFJTWKSIUMPOW-CQSZACIVSA-N 433.892 4.127 5 20 IIBD Cc1ccncc1[C@@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 611298019 IHUCJRGIICAPJT-CYBMUJFWSA-N 442.522 4.327 5 20 IIBD Cn1ccnc1[C@H](N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1ccc([N+](=O)[O-])cc1 611560965 VOXLFXVBDTZMGV-YLJYHZDGSA-N 445.445 4.305 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N[C@H]2COc3cc(F)cc(F)c32)cc1[N+](=O)[O-])c1ccccn1 612222519 AYWYKCLWBGWICD-XIKOKIGWSA-N 440.406 4.305 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)N1c2ccccc2CC[C@@H]1C 725985443 JMLKGRDGVZUMNG-STQMWFEESA-N 447.285 4.271 5 20 IIBD CC(C)(C)c1ccc([C@H]2CCCN2CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 726586396 YNKWPMMDKCOUCI-OAQYLSRUSA-N 436.512 4.456 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)OCc3nccn3CC(F)(F)F)cc2[N+](=O)[O-])C1 727769368 FBQVJVVFADBBGE-OKILXGFUSA-N 440.422 4.193 5 20 IIBD CCOC(=O)c1cc(C(=O)OCc2csc(-c3ccccc3F)n2)cc([N+](=O)[O-])c1 728318533 LOLMCCLVDNCNLR-UHFFFAOYSA-N 430.413 4.391 5 20 IIBD O=C(Cc1coc(-c2ccc(Cl)cc2)n1)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 729782240 XWUZKGKWEXXZSQ-UHFFFAOYSA-N 440.799 4.239 5 20 IIBD CC(C)(C)OC(=O)NCc1cccc(OC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c1 730201216 XINGCCDCDQRXCN-UHFFFAOYSA-N 425.441 4.180 5 20 IIBD Cc1c(NC(=O)[C@@H](C)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] 731482449 OKFTZFSGZINYET-QVKFZJNVSA-N 431.920 4.329 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)cc1Br 732985403 JBVCJQWQOGNIBR-OAHLLOKOSA-N 447.257 4.161 5 20 IIBD Cc1cc(Br)c(N)c(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 735717428 JFVIIVONICZHNY-JTQLQIEISA-N 447.245 4.216 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Br)c1ccnc(OCC(F)(F)F)c1 741569738 GQHUGJXIGXINMF-UHFFFAOYSA-N 435.152 4.050 5 20 IIBD O=[N+]([O-])c1ccc(/C(O)=C(/C(=S)N[C@@H]2CCOc3ccccc32)[n+]2ccccc2)cc1 742143632 KMYRKIOQAUHPFW-LJQANCHMSA-O 434.497 4.207 5 20 IIBD Cc1nc(COc2ccc(F)cc2)sc1C(=O)OCCOc1ccc([N+](=O)[O-])cc1 742862523 DCUZIYUHOMAWDJ-UHFFFAOYSA-N 432.429 4.314 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCN(c2ncnc3sccc23)C1 744152940 YZPJTQMZAVQHQV-GFCCVEGCSA-N 432.889 4.213 5 20 IIBD C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 744403395 ZZVAOHGBMYUAHC-IVZQSRNASA-N 445.520 4.208 5 20 IIBD C[C@@H]1CCN(CCOc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)cc2)C1 744744291 ZZZNRQYQSDIBGV-GOSISDBHSA-N 438.528 4.168 5 20 IIBD C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 745565651 VBYUVNHVQMJHDK-UWHVMBRKSA-N 428.407 4.100 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2cccc(-c3csc(C)n3)c2)c([N+](=O)[O-])c1 745676694 OQVLIRFHLIJVSJ-LBPRGKRZSA-N 441.465 4.219 5 20 IIBD CCOc1cc(C(=O)Oc2ccc(N(C)C(=O)C(C)(C)C)cc2)c([N+](=O)[O-])cc1OC 747513702 AULFCFHOMLUONN-UHFFFAOYSA-N 430.457 4.230 5 20 IIBD C[C@@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCc1ccccc1Cl 747962475 RBMHTHVECLDQAE-GFCCVEGCSA-N 445.884 4.233 5 20 IIBD Cc1c(C(=O)N[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748618225 QOTDIYUDDCQXLU-ZDUSSCGKSA-N 441.419 4.244 5 20 IIBD Cc1c(C(=O)N[C@@H](C)Cc2cccc(Br)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748635818 ZUKBUBKPXUTTGA-JTQLQIEISA-N 436.262 4.243 5 20 IIBD COc1ccc(Oc2ccc(S(=O)(=O)Oc3ccc(C(C)=O)cc3[N+](=O)[O-])cc2)cc1 749950042 SYWPWUAPFQWBDP-UHFFFAOYSA-N 443.433 4.366 5 20 IIBD C[C@@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])[C@H](O)c1c(Cl)cccc1Cl 751961429 KHAWOEWSLLWZIB-ZMZPIMSZSA-N 449.294 4.400 5 20 IIBD COc1ccc([C@H](NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)c2ccccc2OC)cc1 752377821 DVXYDIMWNKRAFT-NRFANRHFSA-N 428.391 4.410 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@@H](C)c2nc(Cc3ccccc3)no2)CC1 752428315 NTYSDVXWQLRYTB-KRWDZBQOSA-N 449.511 4.296 5 20 IIBD Cn1c(C(=O)Oc2ccc(NC(=O)c3ccccc3Br)cc2)ccc1[N+](=O)[O-] 754884737 SFOWZGOGMGFNKC-UHFFFAOYSA-N 444.241 4.167 5 20 IIBD O=C(Nc1cc(N2CCCC2=O)ccc1F)c1cc(F)cc([N+](=O)[O-])c1Br 754990974 QLMCCWIGOWFAAC-UHFFFAOYSA-N 440.200 4.015 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N(CCCO)Cc1cccc(Cl)c1 755024711 HOWPYVLPSVKUKV-UHFFFAOYSA-N 442.697 4.427 5 20 IIBD COc1ccc(C(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1-c1ccccn1 755056488 GVELDGVVHDCFMU-UHFFFAOYSA-N 448.479 4.134 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2cccc3c2CN(c2ccccn2)C3)cc1[N+](=O)[O-] 756937838 HNSIRXZXWQANNW-UHFFFAOYSA-N 444.900 4.273 5 20 IIBD O=C(Nc1nnc(Cc2ccc(F)cc2)s1)c1cccc([N+](=O)[O-])c1Br 758308895 ZPAICQROVGIONL-UHFFFAOYSA-N 437.250 4.191 5 20 IIBD Cc1ccc(Cn2ccccc2=NC(=O)c2cccc([N+](=O)[O-])c2Br)cc1 760787316 LCERSMJHCUCSQE-UHFFFAOYSA-N 426.270 4.257 5 20 IIBD CSc1nc(C(C)(C)C)nc(C)c1C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 761542549 RRYLNDZAYNAKLI-UHFFFAOYSA-N 443.485 4.120 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 766037572 KEHJKNRTLYDNIP-HXUWFJFHSA-N 447.438 4.010 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 769631563 XRQFIGSASKHACN-UHFFFAOYSA-N 425.894 4.342 5 20 IIBD CC[C@@H](c1ccccc1)c1nnc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)o1 775122193 JERGDWZZQNYCBZ-ZDUSSCGKSA-N 436.877 4.282 5 20 IIBD CC(=O)c1cc(C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c(C)nc1C 776733965 TUIZABMABYFFFQ-UHFFFAOYSA-N 433.420 4.281 5 20 IIBD COc1cc(OC)c(NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1Br 779054819 DDZCUZQECYIBHD-UHFFFAOYSA-N 436.306 4.455 5 20 IIBD COc1cc(COC(=O)c2coc(-c3ccccc3)n2)c([N+](=O)[O-])cc1OCC(F)F 780067634 LLFOMFSSOPNSCX-UHFFFAOYSA-N 434.351 4.259 5 20 IIBD C[C@H](OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)N1CCCc2ccccc21 781261398 UGMIFWQEIHATBL-INIZCTEOSA-N 426.472 4.206 5 20 IIBD O=C(O[C@H]1CCN(c2ccccc2Cl)C1=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 781266793 AVIKZACVKGQXBY-NRFANRHFSA-N 432.863 4.297 5 20 IIBD COC(=O)c1cc2cc(COC(=O)c3cccc([N+](=O)[O-])c3Br)ccc2o1 781674215 DHDKNBDFGZFPHB-UHFFFAOYSA-N 434.198 4.247 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc2nc(-c3ccccn3)oc2c1 781717461 GHWGIOIZXKNNOR-UHFFFAOYSA-N 433.380 4.278 5 20 IIBD COC(=O)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccc2ccccc2c1 783563840 PJWZNNKZUSXFNT-SFHVURJKSA-N 443.253 4.155 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cnc(O)c3ccccc23)cc1)c1cccc([N+](=O)[O-])c1 786711594 HVAOHJRRYJBIMU-UHFFFAOYSA-N 429.388 4.320 5 20 IIBD O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc2ccccc2n1CC(F)(F)F 787199028 ZGLFTAUXVWKVMQ-SFHVURJKSA-N 447.369 4.074 5 20 IIBD O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(Cc3cnc(Cl)cn3)CC2)s1 788478356 IDSLFCMTMYNTJT-UHFFFAOYSA-N 429.933 4.085 5 20 IIBD CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 790905841 ULQYMLYPHSPDOS-UHFFFAOYSA-N 425.445 4.389 5 20 IIBD COc1ccccc1-c1nc(C2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)no1 791049763 CYRRZSKPVLKIRO-UHFFFAOYSA-N 442.859 4.327 5 20 IIBD Cc1c(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cnn1CCC(C)C 791245266 DTFJXTIHRGIHNV-UHFFFAOYSA-N 435.322 4.107 5 20 IIBD CC(C)c1[nH]nc(C(=O)O[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 796254340 GNQGKUCYCNQCRW-ZJUUUORDSA-N 443.287 4.171 5 20 IIBD Cc1cc(S(=O)(=O)N2CCCC[C@H]2c2ncc(-c3ccccc3)[nH]2)cc([N+](=O)[O-])c1F 798221995 DSCVGQUGEWVCPI-SFHVURJKSA-N 444.488 4.348 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H](C)Cc1c(Cl)cccc1Cl 800621037 JZXQNWFOPMPONZ-VIFPVBQESA-N 428.247 4.035 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(Cl)c(SC(=O)N(C)C)c2)c1C 808117229 PPUJPRROQUUSGJ-UHFFFAOYSA-N 443.934 4.440 5 20 IIBD COc1ccc2nc(Cl)ccc2c1S(=O)(=O)Oc1ccc(Cl)c([N+](=O)[O-])c1 808350073 VLZPXVVNVSVEQR-UHFFFAOYSA-N 429.237 4.226 5 20 IIBD C[C@H](OC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C(=O)C1(c2ccccc2)CC1 808504367 CXYTXCBFUMZDHC-ZDUSSCGKSA-N 437.370 4.382 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N[C@@H](CC1CCC1)c1ccccc1 810380928 GQHHTPJCOANSLS-KRWDZBQOSA-N 446.301 4.344 5 20 IIBD CC[C@@H](Cc1ccccc1)N(CC)C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810398253 JIIGVNUVGGGOLY-INIZCTEOSA-N 448.317 4.166 5 20 IIBD Cn1ncc(C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1Cc1ccccc1 811218245 RYHGADGBZDAOTR-UHFFFAOYSA-N 434.477 4.400 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 812025436 AKWZVFJDDRDQHR-HNNXBMFYSA-N 436.472 4.027 5 20 IIBD O=C(Cc1csc(Cc2ccccc2)n1)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 813172850 RGWWIUSITKVZIP-NRFANRHFSA-N 437.521 4.002 5 20 IIBD O=C(COC(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1)c1ccc([N+](=O)[O-])cc1 815372970 HEXPFRUJKOPOPI-UHFFFAOYSA-N 443.843 4.032 5 20 IIBD O=C(OCc1ccc(Cl)cc1-n1cncn1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 815512265 NPMZJIXTNYONPA-UHFFFAOYSA-N 426.738 4.205 5 20 IIBD COc1cc(C(=O)OCc2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])cc1OC(F)F 896081105 KANLFGUTQVYXAU-UHFFFAOYSA-N 437.273 4.460 5 20 IIBD COc1cccc(OC)c1Oc1ccc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cn1 917723155 VTNNCDFIZYBMEX-UHFFFAOYSA-N 443.843 4.383 5 20 IIBD O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1 917753853 YCAAKQKACOXVGG-UHFFFAOYSA-N 448.382 4.356 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)c1cc2cc(F)ccc2[nH]1)c1cccc([N+](=O)[O-])c1 918635982 WFYZFGUOXKOYJQ-GOSISDBHSA-N 439.443 4.457 5 20 IIBD O=[N+]([O-])c1cccc(Cc2nnc(-c3ccccc3NS(=O)(=O)c3cccs3)o2)c1 1117209132 ZMQKTKIPBMLSES-UHFFFAOYSA-N 442.478 4.098 5 20 IIBD O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1cccs1 1317689360 GWRWQYLRBOMCGQ-UHFFFAOYSA-N 442.415 4.318 5 20 IIBD O=C(OCC(=O)N(CC(F)(F)F)c1ccc(Cl)cc1)c1cc(F)cc([N+](=O)[O-])c1 1318431371 DXNTUMFIFDFWOK-UHFFFAOYSA-N 434.729 4.140 5 20 IIBD Cc1nccn1-c1ccncc1NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 1318816224 WXGUJUQHTKKWHP-HNNXBMFYSA-N 443.467 4.304 5 20 IIBD O=C(OCc1c(F)cccc1[N+](=O)[O-])c1nn(-c2ccccc2F)cc1Br 1321554442 MBGKBFWHGSWMKB-UHFFFAOYSA-N 438.184 4.178 5 20 IIBD Cc1ccc(-c2nnc(-c3ccccc3NS(=O)(=O)c3cccs3)o2)cc1[N+](=O)[O-] 1322369163 DRNFNOUQJQKJIA-UHFFFAOYSA-N 442.478 4.483 5 20 IIBD Cc1ccc(-c2nnc(N3CCc4ccc([N+](=O)[O-])cc4C3)n2C[C@@H]2CCCCO2)cc1 1345101432 WUHPOFKBTSZQRQ-QFIPXVFZSA-N 433.512 4.294 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)NC1(c2ccc(NC(=O)c3ccccn3)cc2)CCC1 1787292510 LOWLOCCCFSXPRC-PKNBQFBNSA-N 432.436 4.044 5 20 IIBD Cc1oncc1C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])CCC2)cc1 1787451766 FJSCIHJQUPEAPC-KPKJPENVSA-N 446.463 4.352 5 20 IIBD O=C(Cc1ccccn1)NC1(c2ccc(NC(=O)c3cccc(F)c3[N+](=O)[O-])cc2)CCC1 1790698942 OLIZJVBXKSJIHB-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC2(CCCN(C(=O)c3ccsc3)C2)CC1 1808098007 UYESVWAHBCMOIF-UHFFFAOYSA-N 441.553 4.134 5 20 IIBD CCCCC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)n[nH]1 1820366908 KOVLCLSOXGJPIF-WMLDXEAASA-N 430.509 4.168 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2)CC1 1829869183 OBZFIAUBTYELTF-QHCPKHFHSA-N 435.524 4.071 5 20 IIBD C[C@@H]1C[C@]1(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830621669 QBARGDNKRYQJOH-VVWXKSFDSA-N 431.508 4.013 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@]2(C)C[C@@H]2C)CC1 1830734125 YUZSZNQBQGYOMV-PFTWBPNJSA-N 445.535 4.322 5 20 IIBD CCC[C@H]1CC[C@H](C(=O)N2CCCC23CN(C(=O)Cc2cc(F)ccc2[N+](=O)[O-])C3)CC1 1846078000 NODLVJGNWFVIJJ-IYARVYRRSA-N 445.535 4.086 5 20 IIBD CSc1ccc(C(=O)OCC(=O)Nc2ccc(C)cc2Br)cc1[N+](=O)[O-] 9622061 UDLNWZZTSNTJAG-UHFFFAOYSA-N 439.287 4.183 5 20 IIBD Cc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 10210140 RJILMIIHEOWIJK-QGZVFWFLSA-N 425.485 4.324 5 20 IIBD COc1cc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)c([N+](=O)[O-])cc1OC(F)F 10968796 SWOMVTALGINTMQ-UHFFFAOYSA-N 432.383 4.260 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cc(Cl)ccc1-n1cncn1 14808773 SBRROTVLQLGJIP-UHFFFAOYSA-N 429.867 4.028 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3cccs3)cc2)cc1[N+](=O)[O-] 18081728 BOHMJEDQCMKJLV-UHFFFAOYSA-N 445.522 4.038 5 20 IIBD Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)Nc2ccc(O)cc2)n1 18333973 LIFHVXBUXNDQOZ-UHFFFAOYSA-N 445.478 4.012 5 20 IIBD CCCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2F)nnc1-c1cccc(C)c1 21114262 IAXQHUGXIDYQCG-UHFFFAOYSA-N 429.477 4.442 5 20 IIBD CC(=O)N(c1nc(Cn2cc([N+](=O)[O-])ccc2=O)cs1)c1c(C)cc(C)cc1Cl 31672073 UVQWEEVKQVLWPH-UHFFFAOYSA-N 432.889 4.216 5 20 IIBD COc1cc(CN(C)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)ccc1SC 58772175 QNJAPHUJYOBDSO-UHFFFAOYSA-N 429.542 4.200 5 20 IIBD CCCC(=O)Nc1cccc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1C 63181263 KHEJUFSGDHHACZ-UHFFFAOYSA-N 425.894 4.404 5 20 IIBD CCOc1ccc(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c(C(F)(F)F)c1 64563932 CQWDOSSXSWMKFG-UHFFFAOYSA-N 438.406 4.366 5 20 IIBD NC(=O)c1ccc(SCC(=O)N(Cc2ccccc2)Cc2ccccc2)c([N+](=O)[O-])c1 72104467 IPJQXZDNSFENGU-UHFFFAOYSA-N 435.505 4.015 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCc2cc([N+](=O)[O-])ccc21 105691768 ZXSCWMFHZIJRJE-JTQLQIEISA-N 425.666 4.367 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H](C)Sc1ccc(Br)cc1 195711774 YUDHRVQRLLNJMI-LLVKDONJSA-N 425.304 4.163 5 20 IIBD Cc1cc(NCc2ccc(CN3CCC(O)CC3)cc2)c(Br)cc1[N+](=O)[O-] 302664773 JAYRLKIBJQXUSR-UHFFFAOYSA-N 434.334 4.235 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2c(F)cc(Br)cc2F)c(Cl)c1 390893783 PZJKIBPJOBWZBA-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD O=C(Cc1cccs1)Nc1ccccc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 409976502 BXLGLCSJRVSTIY-UHFFFAOYSA-N 447.476 4.276 5 20 IIBD Cc1cnccc1OC1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 426271620 PPGANHUWZHVRSI-UHFFFAOYSA-N 438.406 4.070 5 20 IIBD O=C(O)[C@@H]1CN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C[C@H]1c1ccccc1 427708840 CNMGNMHSQXQIJW-VQTJNVASSA-N 431.448 4.279 5 20 IIBD CCCn1ccnc1CCCN(C)C(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 430502228 UOJOCWCUAWPZIW-KDURUIRLSA-N 441.576 4.388 5 20 IIBD C[C@H]1CSc2ccccc2N1C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 430649487 AJGGHUYMCPMRIB-LBPRGKRZSA-N 427.511 4.016 5 20 IIBD CCN([C@H](c1cccnc1)c1ccc(F)cc1F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C 431898695 OKBQXPPLIBXIKL-OAQYLSRUSA-N 447.463 4.377 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 432507094 YVJVBFDNMDINCG-UHFFFAOYSA-N 440.525 4.295 5 20 IIBD CC(C)(C)NS(=O)(=O)c1ccccc1CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 433154499 ZOHCYBYSMGZLRK-IBGZPJMESA-N 431.558 4.184 5 20 IIBD COc1cc(Br)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Cl 433809256 SXODISUSOWPXPW-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD Cc1cccc(N2CCN(C(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)CC2)c1C 435813327 GUGMDBFQJCMIAG-UHFFFAOYSA-N 429.495 4.400 5 20 IIBD CC(=O)Nc1cccc([C@H](C)NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 435921512 FCFSSAKVUMOSJJ-LBPRGKRZSA-N 435.430 4.409 5 20 IIBD O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 437054573 YFISFAKIIPGDLS-UHFFFAOYSA-N 441.793 4.397 5 20 IIBD Cc1ccccc1CN(Cc1cccnc1)C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C 437738270 RIJOFJVVCXQLRU-UHFFFAOYSA-N 432.480 4.083 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc(OC)cc2OCc2ccccc2)cc([N+](=O)[O-])c1 439028680 RVAGVXZKTZPMKL-UHFFFAOYSA-N 436.420 4.221 5 20 IIBD CCOc1cc(C(=O)Nc2ccccc2-c2nncn2C(C)C)c([N+](=O)[O-])cc1OC 439655528 OPFDWIMAQIQABW-UHFFFAOYSA-N 425.445 4.094 5 20 IIBD CC(=O)c1ccc(OCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)c([N+](=O)[O-])c1 440845673 PJRKJFZXQLSHQB-UHFFFAOYSA-N 436.468 4.298 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1ccccc1SC 441695841 DGXVMLQDEMVKNB-KBXCAEBGSA-N 447.582 4.046 5 20 IIBD CCOc1cc(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)ccc1OC 444039178 LBPMTBWXTVKJHO-UHFFFAOYSA-N 438.430 4.297 5 20 IIBD CO[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccc(F)cc1 444125646 JTRRKNIGBYQNLA-FQEVSTJZSA-N 426.394 4.216 5 20 IIBD COc1cccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1[N+](=O)[O-] 444140922 NELRVPZWKFAOID-CQSZACIVSA-N 442.859 4.327 5 20 IIBD O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444187237 SSPAEXGXHMYUPY-OAHLLOKOSA-N 435.886 4.483 5 20 IIBD O=C(NCc1ccc(-c2ccc3c(c2)CCO3)cc1)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 445006137 BUZWBHKGLWYZTO-UHFFFAOYSA-N 443.463 4.072 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cn1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 448051091 YETBBNYMMNDQCW-UHFFFAOYSA-N 443.506 4.148 5 20 IIBD C[C@H](c1cccc(O)c1)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCO1 461811278 RWLSJBANXFYXDF-IERDGZPVSA-N 437.500 4.325 5 20 IIBD O=C(c1cc(-c2ccccc2C(F)(F)F)on1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 461899380 BZEBEQDQRCNZJK-UHFFFAOYSA-N 446.385 4.231 5 20 IIBD CCOc1cc(C(=O)NCc2cc(Cl)ccc2OC(F)F)c([N+](=O)[O-])cc1OC 465294200 JTCQCCGKNIWEMM-UHFFFAOYSA-N 430.791 4.187 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NC[C@@]2(C)CCO[C@H]2C2CC2)c([N+](=O)[O-])c1 466636694 VDUNDLVQZASDLD-LADGPHEKSA-N 438.480 4.230 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C)c1ccc(Cl)c(Cl)c1 469357980 KUGXPKXILOAWHK-JTQLQIEISA-N 447.296 4.070 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@H](Oc3ccncc3)C2)c([N+](=O)[O-])c1 469742386 RURAYMMOJZNWRU-NZQKXSOJSA-N 432.480 4.131 5 20 IIBD C[C@@H](C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1ccc([N+](=O)[O-])cc1F 475103037 WXTBGBHUMAVDPI-QLJPJBMISA-N 440.258 4.066 5 20 IIBD CC1CCN(c2nnc(SCc3ccc([N+](=O)[O-])cc3F)n2C[C@@H]2CCCO2)CC1 476511928 RZTWBOBHPMKAAV-KRWDZBQOSA-N 435.525 4.033 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccccc1N1CCC(CO)CC1 476777676 LWIBIVPIWJHJEL-UHFFFAOYSA-N 441.531 4.002 5 20 IIBD O=c1c(Br)cn(CCCCOc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] 477402565 HLTMCQPLQDBKBT-UHFFFAOYSA-N 435.196 4.397 5 20 IIBD CCOC(=O)c1csc([C@@H]2CCCN2c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)n1 478043192 BUHXWYKEJTZPCI-KRWDZBQOSA-N 439.497 4.335 5 20 IIBD Cn1ccnc1C(=O)c1ccc(Nc2ccc3c(c2)nc2n3CCCCC2)c([N+](=O)[O-])c1 480419535 MUGQHPPILHPFGJ-UHFFFAOYSA-N 430.468 4.379 5 20 IIBD CCN(C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)[C@@H](C)Cc1ccccc1C(F)(F)F 484675506 DESGTFSAXWESAF-ZDUSSCGKSA-N 438.402 4.494 5 20 IIBD Cc1ccc([C@@H]2C[C@H](C)N(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)C2)cc1 489983101 MSOBLRCFZBECFQ-QTGUNEKASA-N 435.524 4.221 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 490435127 IFMMDNAQRSEPJZ-PXAZEXFGSA-N 444.431 4.073 5 20 IIBD O=C(Nc1ccccc1Cn1cncn1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 490900180 DWBCZWBFKZVLIC-UHFFFAOYSA-N 428.452 4.099 5 20 IIBD CS(=O)(=O)c1cccc([C@@H](NCCc2cccc([N+](=O)[O-])c2)c2ccc(F)cc2)c1 494989235 SJLHBMOZGLODEM-QFIPXVFZSA-N 428.485 4.059 5 20 IIBD COc1ccc(I)c(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 498001792 RQYDUHRZVHEMCU-SNVBAGLBSA-N 441.225 4.091 5 20 IIBD Cc1cccc([C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c2ccccn2)c1 498598313 LBKXRNZTABZXSZ-DEOSSOPVSA-N 430.508 4.420 5 20 IIBD Cc1cc(N2CCN(C(=O)CCCc3ccccc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 500533094 FGXDWTSWADURRY-UHFFFAOYSA-N 445.523 4.032 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 501977651 JCSZSUUKFLBNBO-UHFFFAOYSA-N 445.466 4.162 5 20 IIBD CCOc1cc(C(=O)N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c([N+](=O)[O-])cc1OC 502148991 XKMRCLXKUNCRJN-ZDUSSCGKSA-N 443.431 4.302 5 20 IIBD C[C@H]1C[C@@]1(NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(Cl)cc1 503417060 TZPNXFOOGJVSFJ-VOJFVSQTSA-N 438.709 4.474 5 20 IIBD Cc1cccc(C(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)c1[N+](=O)[O-] 504981563 UXXSSOVJPSGCEC-UHFFFAOYSA-N 446.301 4.157 5 20 IIBD O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)c1ccn(-c2ccccc2[N+](=O)[O-])n1 505439394 GSLLJZIKQRVZOZ-MRXNPFEDSA-N 426.301 4.092 5 20 IIBD NC(=O)CN(CCC1CCCCC1)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 507096935 LGWYBFVOAZFROA-UHFFFAOYSA-N 438.528 4.105 5 20 IIBD CCc1cc(=N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 507112136 UIPGFRCBLODDDO-HNNXBMFYSA-N 446.511 4.493 5 20 IIBD NC(=O)c1ccc(SCC(=O)N2CCCc3cc(Cl)cc(Cl)c32)c([N+](=O)[O-])c1 508190200 IPOXTQZMBAQPFG-UHFFFAOYSA-N 440.308 4.072 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)cc([N+](=O)[O-])c1 509791454 ZKRYKXOYCGHTSN-QGZVFWFLSA-N 448.859 4.235 5 20 IIBD O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 509791480 ZSSQLAAQLHYKSD-UHFFFAOYSA-N 427.848 4.403 5 20 IIBD COc1ccc(CN2CCC[C@H](c3ccnn3C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 510682588 ORHISYOPZMRMSN-FQEVSTJZSA-N 436.512 4.296 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c(OCC(=O)N(C)C)c1 511317667 XJSADUJCZNJHIQ-UHFFFAOYSA-N 449.463 4.415 5 20 IIBD Cc1ccc(NC(=O)COc2ccc(CCNC(=O)c3c(C)cccc3[N+](=O)[O-])cc2)cc1 511626827 MLZSAFKIIQKJIR-UHFFFAOYSA-N 447.491 4.202 5 20 IIBD COc1ccnc(O)c1C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 512713846 IBPAYDBLBKXWKM-UHFFFAOYSA-N 447.806 4.219 5 20 IIBD Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1CCCc2c1cccc2[N+](=O)[O-] 513834772 ZWLAXRUKLDXRCS-UHFFFAOYSA-N 429.480 4.320 5 20 IIBD CCC(=O)c1ccc(NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)c([N+](=O)[O-])c1 515859010 CHSLPTBEHNWWON-UHFFFAOYSA-N 430.404 4.222 5 20 IIBD COc1cc(CNCc2ccc3cnn(C)c3c2)c([N+](=O)[O-])cc1OCc1ccccc1 515936620 MLLMCVPRESIMIH-UHFFFAOYSA-N 432.480 4.359 5 20 IIBD CCOc1ccc(NC(=O)CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1 516376147 FTRWPEHVMKHLTI-UHFFFAOYSA-N 434.452 4.106 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 518313318 GVZDPMPDDXVTBK-KRWDZBQOSA-N 435.864 4.007 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(OCc2cccc(C)c2)c1 520333252 ODYZILHYOYPREV-UHFFFAOYSA-N 428.466 4.292 5 20 IIBD O=C(Nc1ccccc1Br)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 522348011 RISZKWRWTDAHDA-UHFFFAOYSA-N 447.289 4.240 5 20 IIBD CNc1ccc(C(=O)Nc2ccc(OC)c(NC(=O)C3CCCCC3)c2)cc1[N+](=O)[O-] 522524363 LDFWTUHPVYBGHU-UHFFFAOYSA-N 426.473 4.416 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCC[S@@](=O)c1ccc(Br)cc1 523901164 LPMPGLMRYYOMPI-RUZDIDTESA-N 425.304 4.192 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 530779897 ZYCVRGVBFDDMII-UHFFFAOYSA-N 439.493 4.289 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCC[C@@H](c2nnc3ccccn23)C1 531253682 SMOBBBMMXQHACT-QGZVFWFLSA-N 443.463 4.450 5 20 IIBD O=[N+]([O-])c1cccc(-c2ccc(CNC[C@@H](O)COc3ccccc3Br)o2)c1 532209919 NVOMMCAJDOKWTH-MRXNPFEDSA-N 447.285 4.147 5 20 IIBD Cc1cc(-c2cc(C(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc34)c3c(C)noc3n2)c(C)o1 534744933 ATRQZIJKQYZUMJ-UHFFFAOYSA-N 432.396 4.445 5 20 IIBD O=C(CCN1CCCCC1)Nc1ccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 535407291 LOANWSQFIFUHGV-UHFFFAOYSA-N 449.511 4.072 5 20 IIBD Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C 535926851 AMWLEFUZBOVQBL-CQSZACIVSA-N 428.518 4.205 5 20 IIBD CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C 538226084 KFMCHKJUAQDJMS-OAHLLOKOSA-N 436.555 4.078 5 20 IIBD COc1cc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC(F)F 538244249 JLIBUSJXYXLLFG-DYVFJYSZSA-N 442.802 4.118 5 20 IIBD Cc1ccc(CNC(=O)C2CCN(C(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)CC2)cc1F 539843328 LBXWJEACUBLIKA-UHFFFAOYSA-N 441.503 4.136 5 20 IIBD CC(C)c1cc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c(O)c(C(C)C)c1 539853866 CPNLUEWDRGXVPR-UHFFFAOYSA-N 445.541 4.207 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnn(Cc3nc(-c4cc(Br)cs4)no3)c2)c1 540858042 PAKLVFQJXKACLT-UHFFFAOYSA-N 432.259 4.381 5 20 IIBD COc1ccc(NC(=O)[C@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)cc1[N+](=O)[O-] 541072415 AKCAMSYLFNLTIP-NSHDSACASA-N 448.526 4.191 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CC(=O)Nc4c(F)cccc43)cc2[N+](=O)[O-])n1 541253067 QHVDOMZNVISMRS-UHFFFAOYSA-N 444.469 4.249 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 541785787 IRRLWPSZPFNZIO-UHFFFAOYSA-N 426.370 4.102 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(-c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)n2)cc1 544930439 VWLHKGTWIMZDHN-UHFFFAOYSA-N 440.412 4.252 5 20 IIBD COc1cc(Cc2noc(-c3csc(Cc4ccc(F)cc4)n3)n2)ccc1[N+](=O)[O-] 546495306 WGMLSRXKLCBIEJ-UHFFFAOYSA-N 426.429 4.431 5 20 IIBD COc1cc(OC)cc(C2(F)CCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)CC2)c1 549033147 VABINWUCOBQFGX-UHFFFAOYSA-N 439.443 4.261 5 20 IIBD O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 550060701 HCFLCTZLMVUXDV-HXUWFJFHSA-N 427.888 4.007 5 20 IIBD CCOc1ccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1Cl 551671610 CREMMKDCEYRZDN-UHFFFAOYSA-N 427.682 4.268 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](c2ccccc2)N2CCc3sccc3C2)n1 553278254 MKUPJHUJNQTUMB-LJQANCHMSA-N 438.509 4.049 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1cc(F)c(N2CCOCC2)cc1F 553753866 DOHWAKWAYGPFKS-UHFFFAOYSA-N 443.859 4.094 5 20 IIBD C[C@H](C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1)c1cccc([N+](=O)[O-])c1 558690396 DTDYNCYZNFFFGN-LSDHHAIUSA-N 432.318 4.104 5 20 IIBD CCC[C@H](NCc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)c1cccc([N+](=O)[O-])c1 560266242 MTWNZVGUIVVYLA-URXFXBBRSA-N 436.512 4.451 5 20 IIBD O=C1NC2(CCCCC2)C(=O)N1Cc1ccccc1CNc1c(F)cccc1[N+](=O)[O-] 561337417 DOJJDNVDOJRBCJ-UHFFFAOYSA-N 426.448 4.101 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 564139328 RIWPPEJKWZBZQG-UHFFFAOYSA-N 446.345 4.402 5 20 IIBD O=C(Cc1noc([C@@H]2CCC[C@@H]3CCCC[C@@H]32)n1)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 569766439 JJRAVVBRMJOCSI-SOUVJXGZSA-N 442.472 4.004 5 20 IIBD CCOc1ccc(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc1Br 581458979 VKOSPCQWAAXQPH-UHFFFAOYSA-N 436.262 4.183 5 20 IIBD COc1cc(Cc2noc(-c3csc(Br)c3C)n2)c([N+](=O)[O-])c(OC)c1 581970056 KYKUTPBKEADFBD-UHFFFAOYSA-N 440.275 4.385 5 20 IIBD O=C(Nc1cccc(-c2nccs2)c1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 609501507 VRSYGBSGJKIUKQ-CQSZACIVSA-N 428.495 4.023 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1C 609761169 IZBRQSPFTDJNLP-UHFFFAOYSA-N 428.466 4.292 5 20 IIBD O=C(Nc1ccc2nccnc2c1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 609856270 WNNVHIRWZQUBJT-UHFFFAOYSA-N 429.223 4.283 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N(Cc1cccs1)C[C@@H]1CCCO1 610037839 ZZIGSYICWQGHAH-ZDUSSCGKSA-N 425.304 4.240 5 20 IIBD COc1cc(C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)cc([N+](=O)[O-])c1OC 610179876 OXCBFEQQAQPWBG-UHFFFAOYSA-N 447.875 4.144 5 20 IIBD COc1ccc(CNC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)cc1[N+](=O)[O-] 610225031 BHDXWEVLQOUUJI-UHFFFAOYSA-N 449.250 4.423 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCO[C@H]([C@@H]2CCCO2)C1 610687727 TZQUOWZBUNOSHG-PMACEKPBSA-N 432.860 4.061 5 20 IIBD CCn1c(SCc2csc(-c3cnn(C)c3)n2)nnc1-c1ccc([N+](=O)[O-])cc1 610863349 XPJKEKSDAVUBGE-UHFFFAOYSA-N 427.515 4.023 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1c[nH]c2cc(Cl)ccc12 611202479 LDPRZNZMVIHBIK-UHFFFAOYSA-N 433.917 4.441 5 20 IIBD COC(=O)C(C)(C)[C@H]1CCCN(c2c([N+](=O)[O-])cnc3ccc(Br)cc23)C1 611305987 DSVMMVNOQJWSGJ-LBPRGKRZSA-N 436.306 4.321 5 20 IIBD COc1cc(OC)c(C2CCN(C(=O)Nc3ccc(OC)c([N+](=O)[O-])c3)CC2)c(OC)c1 611825751 PIKBPWJKAOWIPO-UHFFFAOYSA-N 445.472 4.041 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnn(Cc2ccccc2F)c1C 617976714 ANWDNNUDFXZNID-UHFFFAOYSA-N 429.477 4.437 5 20 IIBD COc1ccc([C@H](C)NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1Br 725819449 NTWPMBJDOBZHQT-VIFPVBQESA-N 449.710 4.059 5 20 IIBD COc1ccc([C@@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2I)cc1 726326167 COISGIGKINQKSW-SNVBAGLBSA-N 427.194 4.126 5 20 IIBD CC1(C)CN([C@@H](CNC(=S)Nc2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2)CCO1 728789798 ITENKXOSHXIVIH-IBGZPJMESA-N 448.976 4.387 5 20 IIBD O=[N+]([O-])c1ccccc1OS(=O)(=O)c1csc(-c2cccc(Br)c2)n1 730809197 LJLFSTBDNNKLBR-UHFFFAOYSA-N 441.284 4.249 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])OCc1csc(C2CCCCC2)n1 731101302 RLNCDSSIOYLTQH-UHFFFAOYSA-N 437.905 4.226 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2n[nH]c3c2CCCC3)c2ccccc2)c([N+](=O)[O-])c1 731705389 CFDDHXGWXCFLJG-NRFANRHFSA-N 434.452 4.042 5 20 IIBD CSc1cccc(N(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C2CCN(C)CC2)c1 732741862 SCMSOPSIHVWBRR-UHFFFAOYSA-N 444.513 4.274 5 20 IIBD COc1ccc(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1Br 732819385 WDNUXAIRRKISKI-VIFPVBQESA-N 428.670 4.458 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Oc1cccc(NC(=O)c2ccco2)c1 734327693 RMAFCDAADACPAA-GFCCVEGCSA-N 430.800 4.466 5 20 IIBD CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-] 734889603 PNJMMPLZLXUUQC-LJQANCHMSA-N 443.887 4.156 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NCCc1nc(C(F)(F)F)cs1 742430497 SEDJTAMQAATFGZ-UHFFFAOYSA-N 449.354 4.018 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCc1nn(-c2ccccc2)c2c1CCC2 742894208 AHWBIAGQPAZEFH-AWEZNQCLSA-N 441.871 4.433 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NC[C@@](C)(O)c3cc(C)oc3C)cc2[N+](=O)[O-])n1 743514455 OCQQPRSAEYDTQA-HXUWFJFHSA-N 447.538 4.358 5 20 IIBD CCOc1cc(N2CCC(OC(=O)CCC(=O)c3cccs3)CC2)ccc1[N+](=O)[O-] 744204011 MLGXLIHDXVDLHJ-UHFFFAOYSA-N 432.498 4.230 5 20 IIBD Cc1c(C(=O)Nc2ccc(OCCN3CC[C@@H](C)C3)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 744743806 WFTZVQBQFGOKKM-CQSZACIVSA-N 442.472 4.093 5 20 IIBD C[C@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCCC2)cc1 745074850 WPAROQVCFXALEJ-INIZCTEOSA-N 425.485 4.043 5 20 IIBD Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 745440738 KTSOPFSISGZHLY-UHFFFAOYSA-N 449.250 4.191 5 20 IIBD CN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 746719246 AAHILCMNZJOYNQ-UHFFFAOYSA-N 444.435 4.059 5 20 IIBD CN1CCC(O)(CNC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)CC1 747411954 KAPMXFLRXNRUDE-UHFFFAOYSA-N 428.532 4.120 5 20 IIBD CC(C)(C)OC(=O)Nc1ccccc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 748332283 JHLXZFILNYFVNB-UHFFFAOYSA-N 449.847 4.391 5 20 IIBD O=C(Cc1ccccc1[N+](=O)[O-])OCc1ccnc(-c2ccc(Br)cc2)n1 749983431 LUFGKQWHFSKFBF-UHFFFAOYSA-N 428.242 4.100 5 20 IIBD COc1c([N+](=O)[O-])cc(N[C@@H](CCO)C2CCCCC2)c([N+](=O)[O-])c1Br 750172296 ZQVFXEQIXMGXPR-NSHDSACASA-N 432.271 4.017 5 20 IIBD C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CCN1Cc1ccccc1 750876404 LHUYHAZHGMXBJM-PZJWPPBQSA-N 436.556 4.368 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc3cc(OC)ccc3nc2Cl)c(C)c([N+](=O)[O-])c1 754613560 DFKCHJYNSZQVQX-UHFFFAOYSA-N 429.816 4.152 5 20 IIBD C[C@@H](c1nn(CN2CCc3c2cccc3[N+](=O)[O-])c(=S)n1-c1ccc(F)cc1)N(C)C 754776287 JLZYRPZGUIMTCN-AWEZNQCLSA-N 442.520 4.093 5 20 IIBD C[C@@H](c1ccncc1)N1CCC(NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 755026965 CCWKEKIKBAXZPQ-ZDUSSCGKSA-N 448.321 4.099 5 20 IIBD Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)Cc1ccc([N+](=O)[O-])cc1Br 755143081 UEPXTRPPPCBYOG-YLJYHZDGSA-N 444.329 4.043 5 20 IIBD Cc1ccc(CNc2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])c(OCC(F)(F)F)c1 756138244 AAFJBIOUQIBVTG-UHFFFAOYSA-N 429.351 4.165 5 20 IIBD CCO[C@H](C)c1nc(COC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cs1 756526556 JXOOBNIVZKNZTL-SNVBAGLBSA-N 429.292 4.197 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[C@@H](OCCCc2ccccc2)C1 758626238 YWHBGSBDOKENEU-MRXNPFEDSA-N 433.302 4.221 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2cc3ccccc3cc2OC(F)F)c([N+](=O)[O-])c1 761511044 FISXFIFODGXSAX-UHFFFAOYSA-N 446.362 4.154 5 20 IIBD Cc1cccc(NC(=O)[C@@H](OC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)C(C)C)c1C 762973547 CJLVVQPNJJPVAU-SFHVURJKSA-N 428.470 4.036 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])c2nsnc2c1)C(=O)Nc1ccc(Cl)cc1Cl 762976242 OWEIZYPWSWLDBO-ZETCQYMHSA-N 441.252 4.090 5 20 IIBD Cc1nc([C@H](C)OC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)oc1-c1ccc(Cl)cc1 763843840 CMKCQXGYWDAUOG-ZDUSSCGKSA-N 443.843 4.246 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@@H](C)c2ccccc2[N+](=O)[O-])c1 764594595 ATWZWWXXWICXKI-ZDUSSCGKSA-N 440.905 4.197 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N[C@H](CCO)c2cccs2)cc1[N+](=O)[O-])c1ccccn1 768873271 RNZLKOXKHNXIBL-RDTXWAMCSA-N 426.498 4.078 5 20 IIBD O=C(NCc1cc(Br)ccc1OC(F)F)c1cc(F)c([N+](=O)[O-])cc1F 769497012 OHKSVVNLRLVLLT-UHFFFAOYSA-N 437.143 4.167 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(N2CCC(OCc3ccccc3OC)CC2)cc1Cl 769927270 BYRHDNHALQONFW-UHFFFAOYSA-N 434.876 4.229 5 20 IIBD O=C(Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1)c1cc(F)c([N+](=O)[O-])cc1F 770065513 VCLCJDKCNCQTAN-UHFFFAOYSA-N 431.374 4.249 5 20 IIBD Cc1ccc(Oc2ccc(Cl)cc2NC(=O)COC(=O)c2ccc([N+](=O)[O-])n2C)cc1 774361697 FXGHPCZNBQAVAF-UHFFFAOYSA-N 443.843 4.483 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1sc(-c2ccccc2C)nc1C 775110967 YMFQCSWTRYZGQW-UHFFFAOYSA-N 425.466 4.439 5 20 IIBD O=C(Nc1cc(Cl)ccc1N1CCSCC1)c1cc([N+](=O)[O-])c2nsnc2c1 778257205 STNXWYZHTIUPQJ-UHFFFAOYSA-N 435.918 4.058 5 20 IIBD CC(C)Oc1cccc([C@@H](C)OC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c1 781675968 BZWKCIRBZOPTMW-RHSMWYFYSA-N 432.498 4.353 5 20 IIBD O=S1(=O)CCN(C2CCN(Cc3c4ccccc4c(Cl)c4ccccc34)CC2)CC1 789557951 PLOHPNXDDRRURP-UHFFFAOYSA-N 443.012 4.341 5 20 IIBD CCc1ccc([C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)CCO2)cc1 791124855 BZPFCNBTVCLECP-KRWDZBQOSA-N 437.265 4.273 5 20 IIBD COc1ccc(CN(CCc2ccccn2)Cn2nc(C)c3ccc([N+](=O)[O-])cc32)cc1 794683892 GJJSNGOKVCHUIP-UHFFFAOYSA-N 431.496 4.359 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)Nc1ccc(OC(F)F)c(Cl)c1 795712667 ZYQLLAJGZPLUHM-UHFFFAOYSA-N 444.774 4.044 5 20 IIBD C[C@H](OC(=O)CCCc1ccccc1N)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 798683520 XSPBYCGJEXUMOS-LBPRGKRZSA-N 439.390 4.089 5 20 IIBD CN(C(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)o1)c1ccc([N+](=O)[O-])cc1 800787109 ROPKLSYYUSNMJC-UHFFFAOYSA-N 437.433 4.284 5 20 IIBD CN(C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 806949727 HPNWWSMIOJJBFN-SJORKVTESA-N 444.702 4.355 5 20 IIBD CN(CC(=O)Nc1cncc(Cl)c1Cl)c1cc(Br)ccc1[N+](=O)[O-] 808709833 IPRVJHBQFVGDRP-UHFFFAOYSA-N 434.077 4.134 5 20 IIBD CCN(C)C(=O)CSc1ccc([C@H](C)OC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1 809078865 WBBVTDLQHKKEIU-VFXTVZEFSA-N 428.510 4.483 5 20 IIBD CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)cc1 813245681 WQUPDSLHDCRXPZ-UHFFFAOYSA-N 439.921 4.311 5 20 IIBD CCOc1cc(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])cc1OCC 814523280 FMTACBZHNYGWQJ-UHFFFAOYSA-N 432.433 4.357 5 20 IIBD CN([C@H]1CCO[C@H](c2ccc(F)cc2)C1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] 815032589 JZYHHBDHERYGLM-GUYCJALGSA-N 446.859 4.067 5 20 IIBD CCc1sc(C(=O)OCC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1Br 815335769 XZZICTVKROPLCN-UHFFFAOYSA-N 427.276 4.085 5 20 IIBD C[C@H](c1ccc(F)cc1)N1CCC[C@@H](OC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1=O 816402004 BVHABHCBUUVYEY-BFUOFWGJSA-N 426.400 4.389 5 20 IIBD O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C/c1ccc(OC[C@@H]2CCCO2)cc1 834689835 SZYFAJRWLHMYBN-HKJBKDEOSA-N 428.828 4.151 5 20 IIBD COc1ccc([N+](=O)[O-])cc1OC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 841579785 FUFSLSMSFQXMPD-UHFFFAOYSA-N 440.412 4.271 5 20 IIBD Cc1csc(SCc2ccccc2C(=O)NCCNc2ccc([N+](=O)[O-])cc2)n1 843399013 BBISSNZGRYPQMX-UHFFFAOYSA-N 428.539 4.494 5 20 IIBD CC(C)[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)N[C@H]1CCOc2ccccc21 877043382 HRJFHWBOHFTENB-HKUYNNGSSA-N 432.860 4.070 5 20 IIBD O=C1/C(=C\Nc2nc3ccc([N+](=O)[O-])cc3s2)c2ccccc2C(=O)N1c1ccccn1 912744815 JZNGAYZBXIVWPU-VBKFSLOCSA-N 443.444 4.240 5 20 IIBD O=C(N[C@H]1CCSc2ccc(Cl)cc21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 916223604 BLTWKZKPKRWHBW-SFHVURJKSA-N 432.933 4.317 5 20 IIBD C[C@@H](c1cc(F)ccc1F)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 917916371 KDTZDZVKLQQICP-VIFPVBQESA-N 435.246 4.017 5 20 IIBD Cc1nc(-c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(Br)c3)cc2)co1 918156481 XBNVVJSEHKDCGA-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD O=C(N[C@@H](Cc1ccccc1)c1ccccc1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 918556188 XFOHNVQVIUYOEA-UGKGYDQZSA-N 447.466 4.187 5 20 IIBD C[C@H](OC(=O)c1cc(-c2cccc(F)c2)no1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 919192201 XJRJHYSXAUNTKE-JTQLQIEISA-N 433.779 4.226 5 20 IIBD C[C@@H](OC(=O)c1ccc(-n2cnc3ccccc32)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 921175941 FPFQLVYOIUJVRU-CQSZACIVSA-N 448.410 4.257 5 20 IIBD COc1ccc2c(c1)c(C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c(C)n2C1CC1 1248485754 IBSJIAIQGCTHMZ-UHFFFAOYSA-N 441.415 4.136 5 20 IIBD CC(C)c1noc(CCNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)n1 1251736957 LDRQBPMLFQMSJR-UHFFFAOYSA-N 443.891 4.339 5 20 IIBD O=C(c1cnn(C2CCCCC2)c1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 1325725960 NIBKNZYIHMWDMQ-UHFFFAOYSA-N 433.306 4.258 5 20 IIBD O=C(N/C(=C\c1ccco1)c1nnc(COc2ccccc2[N+](=O)[O-])o1)c1ccccc1 1326137097 NEFJAGYDEBFXKN-LGMDPLHJSA-N 432.392 4.078 5 20 IIBD C[C@@H](Oc1cccc(Cl)c1)c1nnc(CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)o1 1328517181 VAFXPWWRAHESFO-GFCCVEGCSA-N 444.831 4.312 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@@H](Cc3nccn3C)C2)c([N+](=O)[O-])c1 1341242789 XEBIBKGYOGATIW-YADARESESA-N 447.539 4.271 5 20 IIBD CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CCC2)cn1 1785748480 PQLBHRNLZHESPZ-UHFFFAOYSA-N 434.452 4.207 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(F)c4[N+](=O)[O-])CCC3)cc2)c[nH]1 1788815731 LSRHDHQEJGIXRS-UHFFFAOYSA-N 436.443 4.432 5 20 IIBD Cc1ccncc1C(=O)Nc1ccc(C2(NC(=O)c3cc(C)c([N+](=O)[O-])cn3)CCC2)cc1 1788818530 ILKOELICNWMSMP-UHFFFAOYSA-N 445.479 4.063 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])[nH]4)cc3)CCC2)cc(C)c1O 1790188474 UTAHZJCNJBXXJK-UHFFFAOYSA-N 448.479 4.307 5 20 IIBD CC[C@@H](C)[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C2)c1ccccc1 1795566415 AMXQXRCEAKMLEF-DRASZATQSA-N 439.512 4.270 5 20 IIBD CCCCC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])c(OC)c1 1803823415 HAKCENADSOUQPF-OQIJWPOYSA-N 431.533 4.072 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1)c1ccccc1Cl 1820423104 PQDMDEQJUGDILG-OAHLLOKOSA-N 443.847 4.184 5 20 IIBD C/C=C/C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n[nH]1 1821610141 FNWPYZUMRRMBMP-OUGHUQCRSA-N 439.497 4.415 5 20 IIBD O=C([C@@H]1C[C@H]1C1CC1)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830493180 USDCYEAJYLUBCT-TUNNFDKTSA-N 443.519 4.013 5 20 IIBD CCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 1831389366 RCCXZCSCULPQIP-NRFANRHFSA-N 447.551 4.332 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(Cl)cc1[N+](=O)[O-] 9903420 NAYBPRJEYKVDKS-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD O=c1cc(CSc2nc3ccc([N+](=O)[O-])cc3s2)nc2ccc(Br)cn12 10592340 QRCYJFQZGVWZCH-UHFFFAOYSA-N 449.311 4.267 5 20 IIBD C[C@H](OC(=O)COc1ccc(Br)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 17538803 LXCDLWGXZMTYIE-NSHDSACASA-N 448.229 4.091 5 20 IIBD C[C@H](OC(=O)Cc1ccccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 20991212 ACIFVBVRUNDIBP-JTQLQIEISA-N 430.766 4.380 5 20 IIBD Cc1c(NC(=O)[C@@H](C)Sc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cccc1[N+](=O)[O-] 21574240 HJVMNEIWZWXSRK-LLVKDONJSA-N 444.538 4.199 5 20 IIBD Cc1nc(-c2cccs2)c(CC(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)s1 22104255 NIJYSCZEMIDBNZ-LLVKDONJSA-N 431.495 4.201 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)Nc2cccc3cn[nH]c23)cc1[N+](=O)[O-] 26919062 MDAVRBCOXWNSFG-UHFFFAOYSA-N 429.436 4.020 5 20 IIBD CNC(=O)c1cccc(N[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)c1 57555358 CPKUTVTXXAOXRF-FQEVSTJZSA-N 438.871 4.400 5 20 IIBD CC(C)COc1ccccc1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 59783225 WWQVLKJVCOFVLR-UHFFFAOYSA-N 427.486 4.162 5 20 IIBD Cc1ccc(OC2CCN(C(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CC2)cc1C 65073032 PPPQUMBYLYUXMO-UHFFFAOYSA-N 434.496 4.296 5 20 IIBD O=C(COc1ccc2ccccc2c1Br)N1CCc2cc([N+](=O)[O-])ccc21 105246121 DUSVTQJCNKAJBR-UHFFFAOYSA-N 427.254 4.479 5 20 IIBD O=C(CCc1ncc(-c2ccccc2Cl)o1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 107712561 ZSPUQDABDUEZCV-UHFFFAOYSA-N 440.887 4.185 5 20 IIBD CC(C)NC1CCN([C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)CC1 111051764 HLYGXIYPHJRAOH-OAQYLSRUSA-N 430.936 4.390 5 20 IIBD O=[N+]([O-])c1c(Sc2nnc(-c3ccncc3)n2Cc2ccccc2)nc2sccn12 301094437 OPIYOEWXECNCDV-UHFFFAOYSA-N 435.494 4.157 5 20 IIBD CC(C)n1c([C@@H]2CCCN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])C2)nc2ccccc21 302194418 SBHQBJXJQUBNDX-CQSZACIVSA-N 448.570 4.374 5 20 IIBD O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3nn4cc(-c5ccc(Cl)cc5)nc4s3)C2)nc1 302406337 GMOGHTDSUKJOIC-CQSZACIVSA-N 441.904 4.105 5 20 IIBD CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCCn1cc([N+](=O)[O-])cn1 430822528 PMPSIWRGJMLEQX-UHFFFAOYSA-N 438.271 4.307 5 20 IIBD CN(CCCC(=O)OC(C)(C)C)C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436360249 FGOYKWNOCVCYHN-UHFFFAOYSA-N 430.451 4.153 5 20 IIBD CC(C)c1ccc(C(=O)N2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)cc1[N+](=O)[O-] 439171719 SQUWLHYSWMXXRJ-HXUWFJFHSA-N 437.496 4.287 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCC1CCN(CC(F)(F)F)CC1 444414988 WLIMAIRNLHIPCM-UHFFFAOYSA-N 433.496 4.347 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(CCSc3ccnc4cc(Cl)ccc34)n2)n1C 445616110 OMFSICKNVPLSPA-UHFFFAOYSA-N 430.877 4.223 5 20 IIBD COc1cc(Cc2noc(C3(c4ccc(F)cc4F)CCC3)n2)c([N+](=O)[O-])c(OC)c1 445815003 FRAGTIQIRYLROT-UHFFFAOYSA-N 431.395 4.334 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(C)cc2OCC(F)(F)F)cc1OC 446323199 GQRCUWOJYOQMHK-UHFFFAOYSA-N 442.390 4.182 5 20 IIBD Cc1c(Br)cccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 447009418 BQPOMSQTSSSRDJ-UHFFFAOYSA-N 439.209 4.485 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)N(CCCn1ccnc1)Cc1c(F)cccc1Cl 461097516 FQMATLVZKGDRNU-UHFFFAOYSA-N 430.867 4.245 5 20 IIBD CCOc1cc(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)ccc1OCc1cccnc1 461394756 OUEJKKYRJNBTDX-UHFFFAOYSA-N 449.463 4.002 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc([C@H](C)Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)cc1 462920561 ZWOJMIWHRPNXEP-ZDUSSCGKSA-N 443.472 4.400 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(C[C@@H]2C[C@H]3C=C[C@H]2C3)C2CCN(C)CC2)cc1SC 464685808 XXXIXFNRLIFXSG-ULQDDVLXSA-N 445.585 4.074 5 20 IIBD Cc1nc(NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)sc1Cc1cccc(F)c1 465027678 BGNWRDZPLRYXAF-UHFFFAOYSA-N 443.456 4.042 5 20 IIBD Cc1ccc([C@@H](OC[C@H](O)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)c2ccccc2)cc1 470877528 KZRBXNUQFLHQDP-RDGATRHJSA-N 444.491 4.329 5 20 IIBD C[C@@H](CCN1CCN(C)CC1)NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 472129195 ZCJBFENMUSFYSU-KRWDZBQOSA-N 432.952 4.156 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccc([S@@](C)=O)c(F)c2)cc1[N+](=O)[O-])c1ccccn1 477789729 LRKFLBIKPVYKCB-WAJSEHEASA-N 442.472 4.292 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C[C@@]2(CCOC2)O1 478400662 QWJQMDMHOXLSIC-SPLOXXLWSA-N 448.928 4.419 5 20 IIBD C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C[C@]2(CCCOC2)O1 482993459 JYTRIRRKFHVMCV-ZHRRBRCNSA-N 434.558 4.287 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)cc1SC 482995013 OFZXZSXGJLWQCP-UHFFFAOYSA-N 435.889 4.123 5 20 IIBD CC(C)(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 484187434 JNNCJZIKCGGZMY-UHFFFAOYSA-N 439.390 4.215 5 20 IIBD O=[N+]([O-])c1ccc(Nc2cccc(Oc3ccncc3)c2)c(S(=O)(=O)N2CCCC2)c1 484601713 TZTSXQBRDBMNKU-UHFFFAOYSA-N 440.481 4.310 5 20 IIBD NC(=O)C1CCN(c2cccc(Nc3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)c2)CC1 485396343 KYJWTBCZNNZYPR-UHFFFAOYSA-N 435.459 4.241 5 20 IIBD CCOc1ccc(-c2noc(-c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)n2)cc1F 485949359 FZLPTBQFSTVUGG-UHFFFAOYSA-N 442.432 4.129 5 20 IIBD Cc1cc(C)c(NC(=O)CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c(C)c1 486319220 IKUYOTJQZMQVNW-UHFFFAOYSA-N 447.491 4.468 5 20 IIBD O=C(NCc1nc(C(=O)O)cs1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 486381385 REJFCXIEPVMXHZ-UHFFFAOYSA-N 433.829 4.125 5 20 IIBD O=c1c(Cl)c(N[C@@H]2CCC[C@@H]2OCc2ccccc2)cnn1-c1ccc([N+](=O)[O-])cc1 493742161 ZACKEAQPNVWYRY-QUCCMNQESA-N 440.887 4.344 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@H]1CCOC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 494510478 VFOQQQJJZUQFDZ-AWEZNQCLSA-N 442.859 4.102 5 20 IIBD C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 495033781 YQPASALETMJFHB-OALUTQOASA-N 436.556 4.425 5 20 IIBD COc1ccc(NC(=O)C2CCN(c3noc4ccc(Cl)cc34)CC2)cc1[N+](=O)[O-] 498937906 BGLVOLASCCKWAQ-UHFFFAOYSA-N 430.848 4.253 5 20 IIBD COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 499435353 KOOHKCWXKJSXRF-UHFFFAOYSA-N 436.468 4.019 5 20 IIBD O=C(Nc1cc(Cl)ccc1N1CCSCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 499520203 MWFJFISEHMERGX-UHFFFAOYSA-N 443.916 4.239 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 502053727 RESDFKGRRJCMQQ-OAQYLSRUSA-N 435.484 4.062 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 502112321 QZDBJBOZUUPITM-CQSZACIVSA-N 435.415 4.081 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1 504069120 FZRBWFMJZYHYHY-UHFFFAOYSA-N 443.525 4.350 5 20 IIBD C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 506451582 CEXNEIPVKWRQLH-CYBMUJFWSA-N 448.882 4.065 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(Sc3nnc(Cc4cccs4)n3C3CC3)cc2N1 506853446 ASXJRVTWOVBDIX-UHFFFAOYSA-N 427.511 4.209 5 20 IIBD Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2c2nc(-c3cccc([N+](=O)[O-])c3)no2)c(C)c1 508042291 OSTACKXVMZWVDS-GOSISDBHSA-N 442.497 4.096 5 20 IIBD Cn1c(Cc2ccccc2Cl)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 508459145 YQKOLUYSSCQLFN-UHFFFAOYSA-N 427.892 4.015 5 20 IIBD Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)C2)cc1 510059627 YJQHMJOAZQUYFM-HNNXBMFYSA-N 429.452 4.108 5 20 IIBD O=C(CSCC(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F)c1ccccc1 510672126 ZCJSXMDDYTUZPU-UHFFFAOYSA-N 426.416 4.102 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O 513613005 ABDCRVATCFRNCJ-APWZRJJASA-N 427.476 4.141 5 20 IIBD O=C(Nc1cccc(-c2ncco2)c1)c1ccc([N+](=O)[O-])cc1I 513968241 ZJWDXNXMEPCRLZ-UHFFFAOYSA-N 435.177 4.107 5 20 IIBD O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 514599463 QFIQPOHPBJLAKZ-QFIPXVFZSA-N 434.496 4.367 5 20 IIBD COc1ccc(CNC(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)cc1[N+](=O)[O-] 515830696 MENRZPOUKZVJBO-MRXNPFEDSA-N 436.468 4.138 5 20 IIBD C[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccc(OCC(F)(F)F)cc1 516325993 ARCSDAYARUXJIJ-CYBMUJFWSA-N 434.374 4.213 5 20 IIBD COc1ccc(-c2nc(Cc3noc(-c4ccn(-c5ccc([N+](=O)[O-])cc5)n4)n3)co2)cc1 518853257 KFDUQKUVYPUKFA-UHFFFAOYSA-N 444.407 4.085 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc4c(c3)CCC(=O)N4C)cc2[N+](=O)[O-])C1 519137759 NWNGHOMYWMXFIL-IYBDPMFKSA-N 436.512 4.238 5 20 IIBD Cc1cc(COc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Br)on1 520024019 VSPCVOHMLWFSDY-UHFFFAOYSA-N 432.230 4.485 5 20 IIBD C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1cccc(NC(=O)c2ccccc2)c1 520156502 MSNZPMXNLJOAOV-CQSZACIVSA-N 443.456 4.026 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1NC(=O)N1CCCC1 520389784 KZWBBTYUVKTNEJ-ZDUSSCGKSA-N 432.864 4.282 5 20 IIBD CC(C)c1nc2cc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)ccc2o1 521964775 NLXVNJHTVMCAEF-AWEZNQCLSA-N 428.470 4.164 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(-c3cn4ccc(C)cc4n3)cc2)c([N+](=O)[O-])c1 522624805 SMQDOASKXWWRSU-UHFFFAOYSA-N 438.465 4.027 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1cc(Cl)c2c(c1)OCCCO2 524429545 JMAFJEYGDUARNY-LLVKDONJSA-N 441.267 4.147 5 20 IIBD O=C(c1cnc(-c2ccc3c(c2)OCO3)s1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 525105505 YDFDOZFOIZTEGE-FQEVSTJZSA-N 441.490 4.335 5 20 IIBD C[C@H](CNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)C[C@@H](C)O 525397124 LCMNCCFVZOTKJM-QWHCGFSZSA-N 431.539 4.493 5 20 IIBD CC(C)NS(=O)(=O)Cc1ccc(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 531094126 MSLRPIJARBSDPG-UHFFFAOYSA-N 431.436 4.054 5 20 IIBD O=C(CN[C@@H](c1ccccc1)C(F)(F)F)Nc1ccc([N+](=O)[O-])cc1Br 533479057 BEYYTUOCRKNLEJ-HNNXBMFYSA-N 432.196 4.189 5 20 IIBD CC[C@@H](C)n1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1C1CC1 534238548 HJOGINFBQKKUQH-SNVBAGLBSA-N 432.424 4.459 5 20 IIBD COc1ccc(NC(=O)CSCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC 535507945 PPIYRPJUYXCRDH-UHFFFAOYSA-N 429.454 4.139 5 20 IIBD Cc1ccc(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c(Br)c1 535860744 LGXVTBULXBJYHV-KRWDZBQOSA-N 449.301 4.479 5 20 IIBD CCOc1cc(C(=O)NCCOCc2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OC 537330963 QHKSBJXKSPTFKV-UHFFFAOYSA-N 443.283 4.256 5 20 IIBD CCN(C[C@@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1)CC(F)(F)F 537648871 WRUITPQSTWNPIQ-AWEZNQCLSA-N 428.480 4.424 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(NCCCOc2ccc(Cl)cc2Cl)s1 538743241 NJYDZSSULMNPCI-UHFFFAOYSA-N 425.315 4.248 5 20 IIBD O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 538870953 GXSGKMWFRHSNEH-LJQANCHMSA-N 444.491 4.022 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 540250159 PCLOISYDHJEGKQ-VDYXNGCNSA-N 443.258 4.454 5 20 IIBD Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C 540450997 BCCZBMAORIBNOE-UHFFFAOYSA-N 443.525 4.128 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCCCc1nc2c(s1)CCCC2 542218218 QABPKSPMIAZABX-UHFFFAOYSA-N 425.963 4.425 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCCS1 542260990 AQLURYKFLOXFDY-HNNXBMFYSA-N 437.543 4.102 5 20 IIBD C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N(C)C[C@@H](C)c1nccs1 543240466 RBOLUNGOOKJOIK-OLZOCXBDSA-N 431.543 4.237 5 20 IIBD O=C(NC[C@H](O)COc1ccccc1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 543580314 ABLHQZPERPXLAW-SFHVURJKSA-N 430.526 4.047 5 20 IIBD CC(C)NS(=O)(=O)c1cccc(-c2noc([C@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)c1 546406327 YADDXCMNILXPPZ-ZDUSSCGKSA-N 448.526 4.185 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 546777541 CCZMKRBXZJMCSG-LJQANCHMSA-N 431.901 4.047 5 20 IIBD O=C(c1ccccc1[N+](=O)[O-])N1CCN(Cc2nc(-c3ccccc3Cl)cs2)CC1 550474938 ODTGUICFMOWNIL-UHFFFAOYSA-N 442.928 4.330 5 20 IIBD Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NCC(=O)Nc1ccc([N+](=O)[O-])cc1C 551350476 RWTQZEIMSWCGBF-IYBDPMFKSA-N 438.528 4.380 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1[N+](=O)[O-] 551745738 PUJXMNLUKWLUPK-JXFKEZNVSA-N 439.512 4.115 5 20 IIBD COc1ccc(Oc2cc(CN[C@@H](c3cccc([N+](=O)[O-])c3)c3nccn3C)ccn2)cc1 552255379 CJIXDSLLZMIUHU-QHCPKHFHSA-N 445.479 4.403 5 20 IIBD CC(C)(CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)Oc1cc(F)cc(F)c1 553064779 FPLKNXIPAMDHOB-UHFFFAOYSA-N 436.458 4.407 5 20 IIBD CC(=O)c1cc(N2CCN(Cc3ccc(Br)c(F)c3)CC2)ccc1[N+](=O)[O-] 553483177 ULQPOMHXQJOBLB-UHFFFAOYSA-N 436.281 4.021 5 20 IIBD C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](c1cncc(Br)c1)C1CC1 556608609 ITWBOPURGFRNML-CWTRNNRKSA-N 433.306 4.210 5 20 IIBD COc1ccc(Cc2nc(CC(=O)Nc3ccc(Cl)cc3Cl)no2)cc1[N+](=O)[O-] 562473874 GBEMWUHXVMPCEQ-UHFFFAOYSA-N 437.239 4.065 5 20 IIBD CCNC(=O)COc1ccc(CNc2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])cc1OC 566565970 UDUPUKOHEBHZAU-UHFFFAOYSA-N 441.406 4.058 5 20 IIBD COc1ccc(-c2ccc(CN3CC[C@@](CO)(Cc4ccc(F)cc4)C3)o2)c([N+](=O)[O-])c1 567720507 KJXOXHYISSAIJB-XMMPIXPASA-N 440.471 4.430 5 20 IIBD O=C(N[C@H](C1CC1)C(F)(F)F)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 574668193 WSHMYDILFHSIRT-OAHLLOKOSA-N 439.356 4.287 5 20 IIBD COc1ccccc1SCc1nnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1C 576987847 YHQMWXRUPMRNND-UHFFFAOYSA-N 425.514 4.193 5 20 IIBD CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 580049646 HUPAQTFUDRYJJH-QGZVFWFLSA-N 439.520 4.001 5 20 IIBD CCn1cc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccc3ccccc3c2)c([N+](=O)[O-])n1 583570321 MNFLUYSXPAVYMA-NRFANRHFSA-N 436.493 4.032 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 589006469 LUSHOOSZFQBBEH-QGZVFWFLSA-N 425.363 4.407 5 20 IIBD Cc1cccc(COc2ccc([C@@H](C)Nc3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)cc2)c1 600848915 YTKXMKRIFHWRDE-MRXNPFEDSA-N 441.509 4.303 5 20 IIBD Cc1sc2ncn(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)c(=O)c2c1-c1ccccc1 603562662 DTAGOXOMUPVCND-UHFFFAOYSA-N 445.460 4.440 5 20 IIBD CCNc1ccc(C(=O)Nc2ccccc2-n2cc(Br)cn2)cc1[N+](=O)[O-] 603744648 XUUWROJQGHSULU-UHFFFAOYSA-N 430.262 4.227 5 20 IIBD CC(=O)NCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CC1 603767098 ICENDERRCAJNFX-UHFFFAOYSA-N 447.944 4.388 5 20 IIBD COc1cc(CCNC(=O)N[C@H](CC(F)(F)F)c2ccccc2)c([N+](=O)[O-])cc1OC 604103755 OXOQIKAQILVXOT-OAHLLOKOSA-N 441.406 4.147 5 20 IIBD O=c1c(Cl)c(N2CCC(c3ccc(F)c(F)c3)CC2)cnn1-c1ccc([N+](=O)[O-])cc1 609150037 MOOVLUXWGXZZER-UHFFFAOYSA-N 446.841 4.456 5 20 IIBD CCOc1ccc(-c2nc(CC(=O)Nc3ccnn3-c3ccc([N+](=O)[O-])cc3)cs2)cc1 609151313 DWWVNBVOTCXMGF-UHFFFAOYSA-N 449.492 4.484 5 20 IIBD Cc1ccc(C(=O)N[C@H](CC(=O)NCCc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 609228462 VOXBSRQHTPMGDV-HSZRJFAPSA-N 431.492 4.123 5 20 IIBD O=C(Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 609697676 JXPPFLBJYGSRHN-UHFFFAOYSA-N 432.223 4.196 5 20 IIBD CN(C)Cc1ccc(CNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cc1 609920516 NUURJOTVJPNHEF-UHFFFAOYSA-N 448.310 4.079 5 20 IIBD CC[C@H](COC)NC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 610026417 UYRBEAZAFQGTIQ-CYBMUJFWSA-N 425.844 4.404 5 20 IIBD COc1cc(C(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)cc([N+](=O)[O-])c1OC 610197799 JIKSRVKKJIBTMC-UHFFFAOYSA-N 427.432 4.252 5 20 IIBD O=C(COc1ccc(F)cc1Br)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 610210406 NGZVARNMNMQRSN-QGZVFWFLSA-N 441.278 4.149 5 20 IIBD Cc1c(NC(=O)Cc2cccc([N+](=O)[O-])c2)cccc1C(=O)N1CCc2sccc2C1 610222860 HFFPIPRKCVUVJY-UHFFFAOYSA-N 435.505 4.344 5 20 IIBD O=C(Cn1c(Cc2ccccc2)nc2ccccc21)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 611158138 UZAQASLJXOPNBG-UHFFFAOYSA-N 426.436 4.050 5 20 IIBD COc1ccc(CN(CC(F)(F)F)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1 611522581 FTGDDVORPDKJBR-UHFFFAOYSA-N 434.317 4.410 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OCc3cn4ccccc4n3)cc2)c1 619792857 KQSLXWNEJLLVSS-UHFFFAOYSA-N 432.436 4.473 5 20 IIBD O=C(OCc1cccc2cccnc12)c1ccc([N+](=O)[O-])cc1I 726026836 JSYQTFUVOXZHGX-UHFFFAOYSA-N 434.189 4.105 5 20 IIBD O=C(c1cccc2cccnc12)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727330109 ZHEDVRVLWIELBV-UHFFFAOYSA-N 430.386 4.124 5 20 IIBD COc1cc(CNC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])ccc1OCc1ccccc1 727707448 IBWZBKIQAJUBOZ-UHFFFAOYSA-N 428.391 4.391 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])c1C 727950590 DZUHGBVVRSLTBA-KBPBESRZSA-N 443.308 4.127 5 20 IIBD O=C(CCC(=O)c1ccc(Cl)cc1)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 729193424 UCQXCWMCYOAJDE-UHFFFAOYSA-N 431.876 4.066 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 729419761 OQFADSBPZHRJRK-LBPRGKRZSA-N 439.472 4.393 5 20 IIBD C[C@@H](OC(=O)CCc1nc2cc(Cl)ccc2s1)C(=O)Nc1ccccc1[N+](=O)[O-] 730608493 MDWPAZIPGXJCQZ-LLVKDONJSA-N 433.873 4.361 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2cc(C)c(OC(F)F)c(C)c2)c([N+](=O)[O-])c1 730858662 PJRAZDMRHNHIKZ-UHFFFAOYSA-N 438.383 4.007 5 20 IIBD Cc1nn(C)c(Cl)c1COC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 731717800 YWHFIXDSUAKFLU-CYBMUJFWSA-N 429.864 4.215 5 20 IIBD Cc1cccc(CN(Cc2ccccn2)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 738375923 DCMWEVBUPLJRNT-UHFFFAOYSA-N 431.901 4.343 5 20 IIBD CCOCCCN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 742349133 UEZLMLWUFGUFQN-UHFFFAOYSA-N 426.922 4.487 5 20 IIBD Cc1ccncc1C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 742703783 QLBHLBURTZUIND-LJQANCHMSA-N 425.828 4.488 5 20 IIBD Cc1ccc(SCCOC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cc1C 744514080 ZNHMVJOBVGSOCJ-UHFFFAOYSA-N 439.493 4.015 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1cc(O)ccc1O 745077511 NADJJPUZYJAREV-IBGZPJMESA-N 442.811 4.196 5 20 IIBD Cc1ccccc1NC(=O)Cc1nc(COC(=O)Cc2cccc([N+](=O)[O-])c2C)cs1 748477159 MJBRTPXXVMSJHW-UHFFFAOYSA-N 439.493 4.135 5 20 IIBD CN([C@H](c1ccncc1)c1ccc(Cl)cc1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 749107569 CTBUPEJAYQLTQD-SFHVURJKSA-N 435.864 4.192 5 20 IIBD C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(I)c([N+](=O)[O-])c1 751353942 BRGZATZRUIEBMU-WFASDCNBSA-N 436.249 4.218 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N(Cc1cc(F)ccc1F)C1CCCC1 751353965 NDOMHCHAMJJTPL-UHFFFAOYSA-N 445.466 4.295 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1ccc(=O)n(CCOc2ccccc2Cl)c1 752784704 AZLUCBHSHSRTMP-UHFFFAOYSA-N 449.797 4.019 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)cc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1F 753957575 SIKBKIMWKIYGPH-UHFFFAOYSA-N 439.465 4.499 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)c1c(C)c2cc(Br)ccc2oc1=O 755121319 HFCAYUWITQUHGO-UHFFFAOYSA-N 433.214 4.033 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCc1cc(Cl)cc(Cl)c1OC(F)F 756981576 UTBVOWUOUNJGQF-UHFFFAOYSA-N 445.209 4.169 5 20 IIBD COC(=O)CSc1ccc(OC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 757695735 ZQDKQSSMMZZFDE-UHFFFAOYSA-N 430.463 4.203 5 20 IIBD COC(=O)c1ccc(COC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)s1 757997772 SMWJAWVQRODORD-CYBMUJFWSA-N 441.465 4.368 5 20 IIBD Cc1ccc(-c2cncc(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2)cc1 758092807 TWJJCHWJOMGXGF-UHFFFAOYSA-N 425.828 4.414 5 20 IIBD Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3nnn(-c4cccc([N+](=O)[O-])c4)c3C)o2)cc1C 758947464 RSSJQMHYNJSXPF-OAHLLOKOSA-N 448.439 4.069 5 20 IIBD C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 759848477 CIBWABALKVJJNK-LLVKDONJSA-N 439.251 4.292 5 20 IIBD CN(Cc1cccc(O)c1)C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 761746200 RFVAARZVLJZBBL-UHFFFAOYSA-N 439.855 4.478 5 20 IIBD CC(C)(C)OC(=O)N1CCC(Cc2noc(C(C)(C)c3ccc([N+](=O)[O-])cc3)n2)CC1 761756810 RQKTYNMQRJUWNU-UHFFFAOYSA-N 430.505 4.493 5 20 IIBD O=C(NN1CCCC1=O)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2 762645549 FQRCHVAGJQLAMF-ICFOKQHNSA-N 442.475 4.287 5 20 IIBD COC(=O)c1ccc(OC(=O)CCCc2ccc(Br)s2)cc1[N+](=O)[O-] 763704647 GWTMYRNQYVSKER-UHFFFAOYSA-N 428.260 4.134 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)OC(=O)c3cc([N+](=O)[O-])ccc3SCCO)n2)cc1F 763743293 FWZOUENMKTXKSA-GFCCVEGCSA-N 447.444 4.095 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)Nc1ccc(OC(F)(F)F)cc1 766219041 GBGJFMOAIFTXTH-NSHDSACASA-N 449.341 4.226 5 20 IIBD O=[N+]([O-])c1cccc(Br)c1OS(=O)(=O)c1ccc(F)cc1C(F)(F)F 769924883 CHXHYGLUAGKZTF-UHFFFAOYSA-N 444.156 4.283 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(NC(=O)c2c(C)cccc2[N+](=O)[O-])c1 772154627 KFSUFSIBVUXWOQ-UHFFFAOYSA-N 448.435 4.302 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)C2(Cc3cccc(F)c3)CCC2)c([N+](=O)[O-])c1 775068761 UJQIFKSLGPYARV-CQSZACIVSA-N 430.432 4.026 5 20 IIBD CN(C)C1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Br)cc2)CC1 775507708 FKMMRSUWLGCZMU-UHFFFAOYSA-N 447.333 4.140 5 20 IIBD Cc1cccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)c1F 776024003 MVCIZXONXWGHEU-UHFFFAOYSA-N 426.370 4.415 5 20 IIBD O=C(OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCc2c(Cl)cccc21 776087367 UHIJPJSTHCKWGW-PBHICJAKSA-N 428.872 4.126 5 20 IIBD CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 776586577 GDSPEIGXIDFAHV-GOTSBHOMSA-N 426.513 4.077 5 20 IIBD Cc1oc(-c2ccccc2F)nc1C(=O)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 778812180 VDWUIQATGGXHEA-AWEZNQCLSA-N 429.379 4.272 5 20 IIBD O=C(OCc1nnc(-c2ccccc2Cl)o1)c1cc([N+](=O)[O-])ccc1OC(F)F 779217440 VMALUFCYZZQAJO-UHFFFAOYSA-N 425.731 4.257 5 20 IIBD CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(C(=O)c1ccc3[nH]c4ccccc4c(=O)c3c1)CC2 780866262 WTWJVRYXWXIQJM-ROUUACIJSA-N 447.535 4.295 5 20 IIBD O=C(NCC1([C@H](O)c2ccccc2)CC1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 780960259 LMEKBIZWUYSZMF-HSZRJFAPSA-N 434.442 4.203 5 20 IIBD C[C@H](OC(=O)c1cc(I)cc([N+](=O)[O-])c1)c1ccc(Cl)cn1 781601619 ATOONPOQTVRGEC-QMMMGPOBSA-N 432.601 4.166 5 20 IIBD O=C(CCN1CCc2c(Br)ccc(F)c2C1)Nc1cc([N+](=O)[O-])ccc1F 782545538 UDIQXPPLGPVNLC-UHFFFAOYSA-N 440.244 4.022 5 20 IIBD CCCc1c(C(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cnn1C1CCCC1 784858976 LIGXQXQCRWBVTH-UHFFFAOYSA-N 441.532 4.327 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCCC[C@H]1c1nc2ccccc2o1 785116961 JAZLWKCQWCKNIF-INIZCTEOSA-N 428.832 4.082 5 20 IIBD CS(=O)(=O)c1cc(C(=O)OCCCc2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])c1 785225624 GFFJYAWAPCFONQ-UHFFFAOYSA-N 432.281 4.095 5 20 IIBD Cc1cc(C(=O)O[C@H]2CCCN(c3ccc(F)cc3[N+](=O)[O-])C2)c2cnn(C(C)C)c2n1 787026012 NBHHHDMXLZABKA-INIZCTEOSA-N 441.463 4.194 5 20 IIBD CC(C)(C)OC(=O)NCc1cccc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 787132585 IKMNYLYWDIHTHK-UHFFFAOYSA-N 425.485 4.424 5 20 IIBD C[C@@H](OC(=O)c1cc2ccccc2n1CC(F)(F)F)C(=O)Nc1ccccc1[N+](=O)[O-] 787192291 PGTROKVQPFAOPL-GFCCVEGCSA-N 435.358 4.296 5 20 IIBD COC(CCCC(C)(C)CNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)OC 790025630 CPHPEHNOHCMAKY-UHFFFAOYSA-N 431.327 4.211 5 20 IIBD O=C(O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1nc(Br)ccc1F 791692327 XVDHJASEEIMPOK-QGZVFWFLSA-N 432.205 4.233 5 20 IIBD O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)Nc2cc(F)ccc2Br)c1 795332706 VUXRKUDZZWRVEX-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OS(=O)(=O)CC(C)(C)C 799745048 ZWWPENXHJCSBKQ-SFHVURJKSA-N 446.525 4.340 5 20 IIBD CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)c1cc([N+](=O)[O-])ccc1Cl 800214510 MMHYMRXDXJHFHZ-UHFFFAOYSA-N 444.702 4.334 5 20 IIBD O=C(OCc1cccc(-c2ccccn2)c1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 800976947 KWOMHVHMXNIUCJ-GOSISDBHSA-N 437.477 4.066 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)CC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 801150435 UQYZKUXURZEVMJ-YQQQUEKLSA-N 431.533 4.164 5 20 IIBD CC(=O)c1oc2cc(C)ccc2c1CC(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 805663670 VHCHPHUETXSYPT-UHFFFAOYSA-N 444.827 4.230 5 20 IIBD CNC(=O)OC[C@H]1CCCCN1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 806276774 UZTNIOKBRCFJQV-QGZVFWFLSA-N 428.445 4.130 5 20 IIBD Cc1cccc(CN(Cc2ccccn2)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c1 809817380 YUOPSPRHIOBCOK-UHFFFAOYSA-N 449.891 4.482 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cncc(-c3ccccc3)c2)cc1Br 809853917 PDFBVNGNVKWYSN-UHFFFAOYSA-N 435.255 4.187 5 20 IIBD C[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N2CCCCC2=O)cc1 811007520 PNTWHFXRKUKGMF-HNNXBMFYSA-N 445.903 4.411 5 20 IIBD C[C@H]1CCCN(c2cc(C(=O)O[C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)ccn2)C1 812653356 LXMOOKBYHBDDNQ-GJZGRUSLSA-N 437.456 4.194 5 20 IIBD CC(C)(CCc1noc(CSc2nnc(-c3ccco3)n2-c2ccccc2)n1)[N+](=O)[O-] 812814251 ZDOWWGZWWGAKJB-UHFFFAOYSA-N 440.485 4.191 5 20 IIBD O=C(CCSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccc(N2CCCC2=O)cc1 813330881 IARWWWOHECJNAB-UHFFFAOYSA-N 442.522 4.452 5 20 IIBD O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N(Cc1ccc(O)cc1)Cc1ccco1 815017824 WQRCVYCFMDPART-UHFFFAOYSA-N 440.836 4.077 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2C[C@@H]3CCCCN3c3ccccc32)c(Cl)cc1Cl 815093771 SDKLINHYOMQJQY-LBPRGKRZSA-N 442.324 4.469 5 20 IIBD CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C[C@](C)(C(F)(F)F)O1 818190612 XHVCXXWXEWJDMJ-LJQANCHMSA-N 429.439 4.157 5 20 IIBD COc1cc(/C=C/C(=O)N(C)c2ccc([N+](=O)[O-])cc2)ccc1OCc1c(C)noc1C 823813090 VOQQODYRIQWZSP-WUXMJOGZSA-N 437.452 4.463 5 20 IIBD O=C(NCc1nc(-c2ccc(Oc3ccccc3)nc2)no1)Nc1cccc([N+](=O)[O-])c1 904449621 PMMKMUJQKNLTBI-UHFFFAOYSA-N 432.396 4.154 5 20 IIBD CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2cccc([N+](=O)[O-])c2)c1 911869765 CFWLTEPTCVITJZ-UHFFFAOYSA-N 446.868 4.293 5 20 IIBD CCc1c(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cnn1-c1ccccc1 914630342 IZHRBRPSOQPYMZ-ZDUSSCGKSA-N 442.859 4.180 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Oc3ccc(C(=O)N(C)C)cc3)cc2[N+](=O)[O-])n1 915160380 UTTFKCFOXWPZTL-UHFFFAOYSA-N 443.506 4.432 5 20 IIBD Cc1c(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nnn1-c1cccc(Br)c1 917611213 XKTDVXFPCHWSPF-UHFFFAOYSA-N 436.653 4.152 5 20 IIBD Cc1ccc([C@H](C)N(C)S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c(C)c1 918195058 SQFRPTLFDYDQOU-ZDUSSCGKSA-N 427.320 4.356 5 20 IIBD Cc1c(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 918391393 GBDYVFFUIBVKPE-NRFANRHFSA-N 426.473 4.014 5 20 IIBD CN(C(=O)C(C)(C)C)c1ccc(OC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 919682324 OIMIHYLAKWUJFE-UHFFFAOYSA-N 436.468 4.223 5 20 IIBD O=C(c1ccc(Cl)cc1)c1ccc(OS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 920259694 BZHKYARFHLYCTB-UHFFFAOYSA-N 435.816 4.386 5 20 IIBD C[C@H](Nc1ccc(C(=O)OCc2cccc3c2OCCO3)cc1[N+](=O)[O-])c1ccccn1 920329124 ZPYFFXXAYBYNLX-HNNXBMFYSA-N 435.436 4.291 5 20 IIBD O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 920836433 HZOUHIWCAUELDV-UHFFFAOYSA-N 445.401 4.304 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(CCNC(=O)NC23CC4CC(CC(C4)C2)C3)n1 1116612011 AREYXQZPVQYXLU-UHFFFAOYSA-N 439.516 4.072 5 20 IIBD CC(C)N(Cc1nc(O)c2ccccc2n1)Cc1ccc([N+](=O)[O-])cc1Br 1320534308 VSYZXBPXSXPPPO-UHFFFAOYSA-N 431.290 4.417 5 20 IIBD COc1ccc(Br)c(-c2nnc(-c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)o2)c1 1326302779 NMLKZIJZKMDNOB-UHFFFAOYSA-N 442.229 4.269 5 20 IIBD O=C(Cc1ccccn1)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3F)CCC2)cc1 1788283041 UTFWPZZIPYTHSV-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@@H]3C[C@]3(F)Cl)cc2)CCC1)c1ccc([N+](=O)[O-])cc1F 1791672661 DBLOPEKMKGLWMD-HRAATJIYSA-N 449.841 4.406 5 20 IIBD Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCC2CCC2)C3)cc(Cl)cc1[N+](=O)[O-] 1800713075 OLYUELIWGWJYBL-BCDXTJNWSA-N 433.936 4.389 5 20 IIBD Cc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C[C@H](C)c2ccccc2)cc1[N+](=O)[O-] 1801752294 LAHFCIHKTSCXNQ-IITNATTFSA-N 449.551 4.278 5 20 IIBD CCC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3ccc([N+](=O)[O-])o3)n[nH]2)CCC1 1814968210 TWNQYSOJZWJZNI-UGAXZCSASA-N 441.488 4.197 5 20 IIBD O=C(/C=C/C1CCCCC1)Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1 1820905719 UJWQFVTUGMKYMT-QXLXQBSBSA-N 441.488 4.353 5 20 IIBD CCCCC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 1829836121 QZVYRYXKENMHOI-FXAWDEMLSA-N 432.565 4.373 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 1847651721 BKUUXPYGEYBUCE-SMZGUNCASA-N 441.528 4.009 5 20 IIBD CCOC(=O)/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)c1nc2sc(C)c(C)c2c(=O)[nH]1 9506724 DKCXJQVSUQBVBN-GHXNOFRVSA-N 433.873 4.267 5 20 IIBD CC(C)CCSc1ccc(C(=O)NC2CCN(C(=O)c3ccco3)CC2)cc1[N+](=O)[O-] 11528312 GUOQIVOUYUIAQG-UHFFFAOYSA-N 445.541 4.361 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ccc(Cn3cccn3)cc2)cc1)c1cccc([N+](=O)[O-])c1 12832649 KGITVWUWHGYDMD-UHFFFAOYSA-N 442.431 4.311 5 20 IIBD Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c2)c1 15410248 YSWIMXYWBOGPOV-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD O=C(NCCOc1ccccc1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 16009440 XEWAAXCFUOGQPM-UHFFFAOYSA-N 437.418 4.025 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)c1 18026382 QAUNERDUADUIJM-UHFFFAOYSA-N 430.413 4.165 5 20 IIBD C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 21233920 KAKXSXNBEVDZMB-DYVFJYSZSA-N 440.843 4.381 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3ccccc3-n3cncn3)cc2[N+](=O)[O-])n1 25000863 DOWBKYGWRPVBFO-UHFFFAOYSA-N 438.494 4.344 5 20 IIBD COc1ccc2cc(CN(C)C(=O)[C@@H](C)OC(=O)c3c(C)cccc3[N+](=O)[O-])ccc2c1 28425214 GVHDOFMRMKUKPV-MRXNPFEDSA-N 436.464 4.269 5 20 IIBD CSc1ccc(C(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)cc1[N+](=O)[O-] 31162646 SYLSYFDKTRKERF-UHFFFAOYSA-N 435.505 4.068 5 20 IIBD CCCOc1c(Br)cc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1OC 57836097 XFULBTWRIJFPJO-UHFFFAOYSA-N 435.274 4.358 5 20 IIBD CCN(CC)C(=O)Cc1ccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 64908243 HADAPAINWWNDHZ-UHFFFAOYSA-N 438.509 4.382 5 20 IIBD Cc1cc(NC(=O)c2nn(-c3ccccc3F)c3c2CCC3)n(-c2ccc([N+](=O)[O-])cc2)n1 106291066 RXTIGVTZGZWYKW-UHFFFAOYSA-N 446.442 4.155 5 20 IIBD CN(Cc1cc(Br)cs1)C(=O)c1cccc([N+](=O)[O-])c1Br 159076557 KAPUPMWSJNKPFS-UHFFFAOYSA-N 434.109 4.454 5 20 IIBD COc1cc(CNc2ccnn2C[C@@H]2CCOC2)ccc1OCc1ccc([N+](=O)[O-])cc1 237452851 RPJAJTFMUWNNGF-IBGZPJMESA-N 438.484 4.028 5 20 IIBD COc1cc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c(F)cc1[N+](=O)[O-] 301985838 ZEVTZFWKQGSJDN-UHFFFAOYSA-N 428.247 4.012 5 20 IIBD O=C(Nc1ccc2c(c1)Cc1ccccc1-2)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303450228 JIDYDNJVKFACFN-IBGZPJMESA-N 433.489 4.471 5 20 IIBD COc1ccc(-c2noc([C@H](C)SCCC(=O)Nc3ccccc3[N+](=O)[O-])n2)cc1 409853866 FAKDKRQHQVCYIY-ZDUSSCGKSA-N 428.470 4.476 5 20 IIBD CC(C)(COCc1ccccc1)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 409898695 AYONCWWQJQYNKU-UHFFFAOYSA-N 426.391 4.261 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nnc(-c2cc(Br)ccc2F)s1 410018248 VSFBBFLLZAFEPV-UHFFFAOYSA-N 437.250 4.196 5 20 IIBD COc1nc(C)c(Br)cc1-c1noc(C(C)(C)c2ccccc2[N+](=O)[O-])n1 426572097 YOPBAFXQMSBLKM-UHFFFAOYSA-N 433.262 4.445 5 20 IIBD COc1cccc(C[C@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C(=O)O)c1 426809709 FQGVUJUPSWHKGC-FQEVSTJZSA-N 440.427 4.320 5 20 IIBD C[C@H]1CN(Cc2ccccc2NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 431087321 VZQIXKAJODQOBS-CALCHBBNSA-N 426.517 4.261 5 20 IIBD CCN([C@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F 431839491 CXNCDYLIURUDCV-OAQYLSRUSA-N 429.473 4.238 5 20 IIBD COc1ccc(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c(I)c1 434164164 ONOVPXINJIDWKA-SNVBAGLBSA-N 441.225 4.091 5 20 IIBD O=C(CCCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)Nc1ccc(Cl)cc1 436063081 CXAYRUNCWYAKTQ-UHFFFAOYSA-N 433.895 4.483 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCO[C@H](c2cccc(Br)c2)C1 436385794 OQEMXOOMGGDPLD-AWEZNQCLSA-N 432.196 4.349 5 20 IIBD COc1ccc(C2(NC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CCOCC2)cc1F 436446888 AIXLJNOQLNXBPD-UHFFFAOYSA-N 430.476 4.476 5 20 IIBD C[S@](=O)C1(CNC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CCC1 438133601 VSINARWJKJHORA-NDEPHWFRSA-N 438.958 4.430 5 20 IIBD COCCc1noc(-c2cc(Cl)ccc2NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)n1 439664370 FNWCIAANLZBTMI-UHFFFAOYSA-N 442.815 4.486 5 20 IIBD CCC(CC)(CNC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N[C@H](C)c1ccccc1 444971212 WZQDNCZIVLDINS-MRXNPFEDSA-N 438.532 4.180 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3CCCN(Cc4cccc(F)c4)C3)n2)c1 445578203 DGJVYOWCIPGYSI-MRXNPFEDSA-N 426.448 4.096 5 20 IIBD CCN(Cc1ccccc1)C(=O)Cc1noc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1 445799052 LQTXFHRMOWSMBA-UHFFFAOYSA-N 449.492 4.360 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N(Cc1ccccc1)CC1CCOCC1 446046724 NLZVRWIJKMDHJT-UHFFFAOYSA-N 439.331 4.488 5 20 IIBD COC(=O)c1ccc2c(c1)CCN2C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 447314494 GGXFORRLCMULPU-UHFFFAOYSA-N 432.432 4.163 5 20 IIBD Cc1cc(F)cc2c1CN(c1nnc(-c3ccc([N+](=O)[O-])cc3)n1C[C@H]1CCCO1)CC2 461057455 YWWPXTWLZHWPCB-HXUWFJFHSA-N 437.475 4.043 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[C@@H]1Cc1ccc(F)cc1 462188811 LHAIYKLBFHHJHQ-CQSZACIVSA-N 433.288 4.437 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1 462488789 JBFUTLLCCFEBMD-GCJKJVERSA-N 445.947 4.007 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1cccc(COC2CCCCC2)c1 467850343 KFCVLPGKNKRWHW-UHFFFAOYSA-N 445.903 4.352 5 20 IIBD CO[C@H]1CCOc2c(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])cccc21 468676330 KEWHMBVCXGNDID-INIZCTEOSA-N 426.347 4.258 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N(Cc1ccccc1)[C@H](C)C(C)(C)C 469409303 CSTHGWWPYMYPLW-OAHLLOKOSA-N 434.514 4.007 5 20 IIBD COC(=O)[C@H]1CCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C[C@H]1C 476759823 WZBWMBFBOAZIQD-QAPCUYQASA-N 428.510 4.326 5 20 IIBD Cn1nc([N+](=O)[O-])cc1C(=O)NCc1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1 478075509 HRHFMYFTZMQQRR-UHFFFAOYSA-N 445.435 4.238 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)c1C 481588530 OWPQYQCGWHRHRP-UHFFFAOYSA-N 439.493 4.289 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(OC)c(Cl)c3)cn2)c([N+](=O)[O-])c1 481862020 UNHNIBXCLCHVRV-UHFFFAOYSA-N 449.872 4.128 5 20 IIBD C[C@]1(O)CCN(C(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 483040788 AOTIHGKYRUAPMX-SFHVURJKSA-N 426.416 4.362 5 20 IIBD COC(=O)[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1ccc(OC)c(O)c1 483660287 LSRDLUNBKGDFJX-HXUWFJFHSA-N 428.466 4.041 5 20 IIBD CCOc1ccc(NC(=O)CN[C@@H](C)c2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])c1 484893453 VLHCZBBSVQHVOS-LBPRGKRZSA-N 427.379 4.181 5 20 IIBD COc1ccccc1N1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)C1 489902860 XELRBARJLSZTCB-MRXNPFEDSA-N 429.542 4.360 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc2nccnc2c1Br 491317344 QZXDXVSMBXRSFS-UHFFFAOYSA-N 436.653 4.276 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1[N+](=O)[O-] 491841767 CCAIEPROGVXXIO-UHFFFAOYSA-N 442.375 4.081 5 20 IIBD COCc1c(Br)cccc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 498201222 MJRSBEHHXUHRAO-UHFFFAOYSA-N 431.189 4.357 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NCC2CCSCC2)c([N+](=O)[O-])c1 500430280 XMHDIBSJKSQCPN-UHFFFAOYSA-N 435.571 4.365 5 20 IIBD COc1ccc(Oc2cc(CNC(=O)c3cc(SC)ccc3[N+](=O)[O-])ccn2)cc1 501898718 IOCDOGISUIPWDG-UHFFFAOYSA-N 425.466 4.443 5 20 IIBD CCCN(C[C@H]1COc2ccccc2O1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 502202792 HHVNSQBQSCYOAI-KRWDZBQOSA-N 439.493 4.411 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@H](CCc1ccccc1)c1ccccc1 502990554 KOKZBWLURDXKIU-HSZRJFAPSA-N 431.492 4.205 5 20 IIBD O=C(c1ccc(C(=O)N2CC3(CCCCC3)C2)c([N+](=O)[O-])c1)N1CC2(CCCCC2)C1 503185693 UCPMOUMOXMMSOX-UHFFFAOYSA-N 425.529 4.407 5 20 IIBD COc1ccc(C(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)cc1[N+](=O)[O-] 504814142 PPGFWMQAJQQKBG-UHFFFAOYSA-N 442.475 4.445 5 20 IIBD C[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccc(-n2cccn2)c(F)c1 505201982 BFKNWIRZXAILHH-OAHLLOKOSA-N 426.451 4.497 5 20 IIBD COc1ccc2c(c1)C[C@@H](C(=O)Nc1nc(-c3ccc(C)c([N+](=O)[O-])c3)cs1)CO2 505895000 GRDOPZWSHFHZJW-OAHLLOKOSA-N 425.466 4.225 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1OCc1nc(Cc2ccccc2)no1 508167363 XKYZYXHIOIEVNC-UHFFFAOYSA-N 441.241 4.458 5 20 IIBD CCOC(=O)CN(C(=O)c1csc([N+](=O)[O-])c1)[C@@H](C)c1cccc(Br)c1 508313301 ABSONXYFWDXUSY-NSHDSACASA-N 441.303 4.185 5 20 IIBD CCOc1cc(C(=O)Nc2cccc(Br)c2COC)c([N+](=O)[O-])cc1OC 509179634 AOJMJBGLLMWRFC-UHFFFAOYSA-N 439.262 4.163 5 20 IIBD CN(CCCc1cc(-c2ccccc2)no1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 509700214 RWOLHDJUVGRTOV-UHFFFAOYSA-N 435.889 4.157 5 20 IIBD CCCCN(C)C(=O)C1CCN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 510405315 ZUDVXAJHEPEQLY-UHFFFAOYSA-N 429.517 4.334 5 20 IIBD Cc1ccc(NCCCNC(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])c1 511372568 JDOHZQFELKYLLF-WIYYLYMNSA-N 426.517 4.172 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)c(Cl)c1 511689999 XLVMYKTZHDRDOD-CYBMUJFWSA-N 447.296 4.260 5 20 IIBD COc1ccc2c(c1)CN(C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC2 512818547 VGVYBMYWOXMQHN-UHFFFAOYSA-N 426.416 4.299 5 20 IIBD COc1cccc(-n2c(SCC(=O)c3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)c1 513778312 LDPLGMOWZNROMG-UHFFFAOYSA-N 447.472 4.278 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(SCc3ccccc3)cn2)c([N+](=O)[O-])c1 513787576 BBCSIVCFXRJGJS-UHFFFAOYSA-N 431.495 4.092 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CC3(CCOCC3)[C@H]2C2CC2)cc1[N+](=O)[O-])c1ccccn1 515181067 YDJUNINKGIOYED-KSFYIVLOSA-N 436.512 4.194 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1Cc1ccccc1 516047117 QVRJGFGXEAYMKO-INIZCTEOSA-N 433.464 4.010 5 20 IIBD C[C@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)no1 516378432 KYDJTTIPVJBDHX-NEPJUHHUSA-N 445.273 4.388 5 20 IIBD Cc1cc(OC(C)C)ccc1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 517485794 XVMUCPFXQYEOGP-UHFFFAOYSA-N 429.292 4.254 5 20 IIBD COc1ccc(C(=O)NC[C@H](C)Sc2ccc(Br)cc2)cc1[N+](=O)[O-] 518303243 YMHKXFPVDGRVID-NSHDSACASA-N 425.304 4.277 5 20 IIBD CC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 522581276 BMUMGEHFDBDVAL-UHFFFAOYSA-N 437.855 4.032 5 20 IIBD CC[C@@H](C(=O)OC)N(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 522718050 BMISLAXNJYODFL-SFHVURJKSA-N 425.466 4.317 5 20 IIBD C[C@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1ccc(NC(=O)Nc2ccccc2)cc1 523283880 HTWWIOPWGMJTJP-HNNXBMFYSA-N 436.472 4.048 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc(-c2nnc3n2CCCCC3)ccc1Cl 525133057 CEUMZLWAOKTPDY-UHFFFAOYSA-N 425.876 4.414 5 20 IIBD CC1CCN(c2ccc(C(=O)NCc3ccccc3-c3cnn(C)c3)cc2[N+](=O)[O-])CC1 534745152 ITXBVTFELSKTEA-UHFFFAOYSA-N 433.512 4.162 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2cn3cccnc3n2)c1 535010555 QZJNRECBAUUQQY-UHFFFAOYSA-N 449.492 4.295 5 20 IIBD CSC[C@@H](CCO)NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 535629679 DZPVLUYUJSCUPC-CYBMUJFWSA-N 449.579 4.200 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)[C@@H]1CCC(=O)[C@@H](C)C1 537092544 ADTGWZXVWAYKJO-GXTWGEPZSA-N 430.482 4.444 5 20 IIBD Cc1cc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nn1-c1cccc(F)c1 537390893 ZDNPLRFJXYGQIX-UHFFFAOYSA-N 439.447 4.303 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2CCC[C@H]2C2CCOCC2)c([N+](=O)[O-])c1 537392494 LOXIMKMWYUESGY-FQEVSTJZSA-N 438.480 4.008 5 20 IIBD CC[C@@H](C)NS(=O)(=O)Cc1cccc(N[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 537524575 ITMPVPMXOZMNRW-IERDGZPVSA-N 431.558 4.246 5 20 IIBD Cc1nnc([C@@H](C)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)s1 541587267 WBCWGZLJRKJBOK-CQSZACIVSA-N 429.571 4.362 5 20 IIBD O=[N+]([O-])c1cc2c(O)ncnc2cc1NCCc1c[nH]c2ccc(Br)cc12 542208559 ZFYMAYFEVKEYJO-UHFFFAOYSA-N 428.246 4.142 5 20 IIBD CN(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 542759717 DWQYUMCNTIJPND-UYAOXDASSA-N 435.883 4.492 5 20 IIBD COc1cccc(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c1OC1CCCC1 543048313 ZHKCLJPFSTUOQO-UHFFFAOYSA-N 426.516 4.002 5 20 IIBD C[C@@H](CCNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)N1CCCCC1 543386397 SETCUHCOXAZCLO-ZWKOTPCHSA-N 425.533 4.157 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Br)s2)c([N+](=O)[O-])c1 544112702 DMBOKYOLTXUCCJ-LLVKDONJSA-N 431.333 4.253 5 20 IIBD COc1cccc(-n2c(C)nnc2SCc2nc(-c3ccc([N+](=O)[O-])cc3C)no2)c1 547112152 ZUYXTDIMPHFIKF-UHFFFAOYSA-N 438.469 4.143 5 20 IIBD COc1cc(Cc2noc(CCc3nc(-c4ccc(Cl)cc4)no3)n2)ccc1[N+](=O)[O-] 547176583 NBYZZKZKHWSWPN-UHFFFAOYSA-N 441.831 4.066 5 20 IIBD COCCO[C@@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 549808635 VBVUIIULNSRZMR-OAHLLOKOSA-N 439.306 4.245 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(-c3cc(Br)ccc3F)no2)c1N1CCOCC1 551101212 MMGVHGXYFMCLIS-UHFFFAOYSA-N 449.236 4.050 5 20 IIBD COc1cc(CNc2ccc3c(c2)NC(=O)CS3)c([N+](=O)[O-])cc1OCC(F)(F)F 552588544 DXCCDXTYKNJXLQ-UHFFFAOYSA-N 443.403 4.201 5 20 IIBD COc1ccc(CC(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)cc1[N+](=O)[O-] 552827133 MJSNHZIECFJKGY-YJYMSZOUSA-N 438.402 4.153 5 20 IIBD Cc1cc(-c2noc([C@H](C)NC(=O)N(C)CCc3ccccc3[N+](=O)[O-])n2)ccc1F 553632370 IEHWKNDGLCTOQU-AWEZNQCLSA-N 427.436 4.037 5 20 IIBD CCSc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2I)c1 557728908 YPZUQKVCQNVJMY-UHFFFAOYSA-N 442.278 4.241 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1ccc(OC(F)F)c(F)c1)c1ccccc1[N+](=O)[O-] 558889237 OSGZLBYNBWBMMD-OAHLLOKOSA-N 440.374 4.148 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CC[C@H](C(=O)N4CCCC4)C3)cc2[N+](=O)[O-])cc1 561677341 MVMXWZRYVJZPJB-SFHVURJKSA-N 439.537 4.139 5 20 IIBD COC(=O)CCC1CCN([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC1 562491822 YUXOAFXRXLGMBC-QHCPKHFHSA-N 439.512 4.248 5 20 IIBD Cc1cc(NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)ccc1C(N)=O 569058656 NWCOQIFEHJCWKX-UHFFFAOYSA-N 427.464 4.467 5 20 IIBD O=[N+]([O-])c1ccc2nc(N3CCC[C@@H](Nc4cccc(Br)c4)C3)nc(O)c2c1 570301984 JHBWNWWBFLVKIZ-CQSZACIVSA-N 444.289 4.087 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN3CCOc4ccc(Br)cc4C3)o2)c1 573937557 JPQSDMNNWQPZBZ-UHFFFAOYSA-N 444.285 4.449 5 20 IIBD COc1cc(-c2nc(CC(=O)Nc3cccc(C(F)(F)F)c3)no2)cc([N+](=O)[O-])c1C 574438022 QYJPTPZSKFFSBR-UHFFFAOYSA-N 436.346 4.162 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 581041348 NAPPRBKYYOXLNH-DLBZAZTESA-N 446.454 4.182 5 20 IIBD COc1ccc(-c2ncc(C(=O)N(C)CCc3ccccc3[N+](=O)[O-])s2)cc1OC 582257199 MJNOUYMBTLRYSV-UHFFFAOYSA-N 427.482 4.050 5 20 IIBD Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NCc3ccc(COCc4ccccc4)cc3)cc21 587206866 VHSIWXFZPNNTTK-UHFFFAOYSA-N 432.480 4.114 5 20 IIBD CN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccc(Cl)c(C(F)(F)F)c1 589094279 MGKRIQHRIFMHGJ-UHFFFAOYSA-N 425.754 4.124 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2c2nc(CCn3ccc4ccccc43)no2)ccc1[N+](=O)[O-] 589144284 KFFLTMXUYJSKOY-NRFANRHFSA-N 445.479 4.461 5 20 IIBD CC(C)(C)NS(=O)(=O)Cc1cccc(NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 600854358 MBAGUWMUISWUDX-UHFFFAOYSA-N 445.463 4.444 5 20 IIBD CCCC(=O)Nc1nc2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3C)cc2s1 604113703 BOEJCTIZEPGODB-UHFFFAOYSA-N 434.499 4.052 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 608818016 SBOBEQDHBWRZSI-HNNXBMFYSA-N 442.859 4.083 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)NCCCCCc2ccccc2)cc1[N+](=O)[O-] 609015161 KCXVJNNOWMMEKV-UHFFFAOYSA-N 425.514 4.017 5 20 IIBD COc1cc(CCNC(=O)Nc2ccc(-c3nc(C)c(C)o3)cc2)c([N+](=O)[O-])cc1OC 609041793 AVFFEVPPKKOJMF-UHFFFAOYSA-N 440.456 4.248 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN3CCC(c4nc(-c5ccccc5)no4)CC3)o2)cc1 609146386 HZJUAONTRIHRNO-UHFFFAOYSA-N 432.440 4.074 5 20 IIBD C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 609509267 MLXQVAWARRNSGE-OPAMFIHVSA-N 443.931 4.453 5 20 IIBD CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1 609853395 DYYBMLVYWJIHQO-UHFFFAOYSA-N 439.921 4.148 5 20 IIBD C[C@@H](c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1)N1CCOCC1 610044307 FNAUBPNLFKXQQA-ZDUSSCGKSA-N 434.290 4.003 5 20 IIBD COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C1 610198869 QYBVNZNWGFNKGY-AWEZNQCLSA-N 448.903 4.369 5 20 IIBD COc1cc(CN2CCN([C@H](C)c3nc4ccccc4s3)CC2)c([N+](=O)[O-])cc1OC 611252966 AQGNLXQYTNZTSD-OAHLLOKOSA-N 442.541 4.101 5 20 IIBD COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)C1 611333008 JIEUFYYJQSXOBX-ZHALLVOQSA-N 445.560 4.129 5 20 IIBD COC[C@@H](NCCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1cccc(C(F)(F)F)c1 611396776 KEGIPKWFVDIPKU-QGZVFWFLSA-N 425.407 4.228 5 20 IIBD COc1cc(CCNC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])cc1OC 616169563 OUXDSSVAIGCBGT-UHFFFAOYSA-N 442.299 4.303 5 20 IIBD C[C@H](NC(=S)/C(=C(/O)c1cccc([N+](=O)[O-])c1)[n+]1cccc(O)c1)c1cccs1 726581258 SGHZXTYPGGMVBJ-ZDUSSCGKSA-O 428.515 4.211 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NC1(c2cccc(C(F)(F)F)c2)CC1 727623839 MZUFJUAVFBNWFE-UHFFFAOYSA-N 427.766 4.011 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 729170000 INSMUXJFTOCOBN-HNNXBMFYSA-N 426.281 4.055 5 20 IIBD C[C@@H](OC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 729779929 HMDAMKKUROHPKC-LLVKDONJSA-N 447.806 4.155 5 20 IIBD O=C(OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1[nH]c2ccccc2c1Cl 730705362 VHUIDTVBGGVKKL-CYBMUJFWSA-N 427.844 4.191 5 20 IIBD COc1cc(C(=O)OCCCN2CCCC2=O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 733410607 YVVAODVSGRGAMW-UHFFFAOYSA-N 448.859 4.218 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cccc(COc2cccc(F)c2)c1 734049881 AXTWPRDCBHRZIO-UHFFFAOYSA-N 438.411 4.417 5 20 IIBD O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1csc(-c2ccc(F)cc2)n1 735340831 UWSMGAAUOGQXFM-UHFFFAOYSA-N 443.412 4.012 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 739590323 YGALWCANQMBMMP-UHFFFAOYSA-N 426.454 4.379 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)NC(=O)C2CCC(c3ccccc3)CC2)cc1[N+](=O)[O-] 744013313 XPFWERYPVJFTSN-UHFFFAOYSA-N 436.917 4.336 5 20 IIBD O=C(COC(=O)c1cc(C2CC2)nc2ccc(F)cc12)Nc1cc([N+](=O)[O-])ccc1F 745592743 BKCOGGOWVJYRDU-UHFFFAOYSA-N 427.363 4.094 5 20 IIBD COc1cc(Br)ccc1C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 748931043 WDYSIYXXCLUQNV-JTQLQIEISA-N 448.229 4.334 5 20 IIBD Cc1cc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])n(-c2ccc([N+](=O)[O-])cc2)n1 750820216 YCBYJOFFSCKBIJ-UHFFFAOYSA-N 446.217 4.012 5 20 IIBD Cc1nccn1-c1ccccc1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 750856417 JUROZMLEUZCRIR-UHFFFAOYSA-N 449.692 4.435 5 20 IIBD CCOc1ccc(-c2noc(COC(=O)c3ccc(Br)cc3[N+](=O)[O-])n2)cc1 750968508 VEPDDFUWYBIYOU-UHFFFAOYSA-N 448.229 4.163 5 20 IIBD CSCCNC(=S)/C(=C(/O)c1cccc([N+](=O)[O-])c1)[n+]1ccc(C(C)(C)C)cc1 751541921 GSAKBQRBVLEEPC-UHFFFAOYSA-O 432.591 4.344 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2c(C)cccc2[N+](=O)[O-])nc(-c2ccc(Cl)cc2)n1 751861333 VTKVNTAHQFNFOR-UHFFFAOYSA-N 440.843 4.118 5 20 IIBD Cc1ccc([C@H](C)NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)cc1[N+](=O)[O-] 752491275 NCMNRPIYIFOEOB-LPHOPBHVSA-N 427.501 4.389 5 20 IIBD COc1cc(N)c([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 753455144 AFXDYFOTLFGBDA-CQSZACIVSA-N 435.436 4.037 5 20 IIBD CC(C)[C@@H](CCN(C)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)NC(=O)OC(C)(C)C 754418527 ZZPBDYKIFVADTR-KBXCAEBGSA-N 425.501 4.235 5 20 IIBD CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccc(Br)c(F)c1 755196025 RMOZLNLHXCLYJW-UHFFFAOYSA-N 428.233 4.096 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3ncccc3C(F)(F)F)CC2)ccc1[N+](=O)[O-] 755690946 LCMJQNJWTUWRFQ-UHFFFAOYSA-N 439.390 4.233 5 20 IIBD C[C@H]1CCN(C(=O)COC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c2ccccc2S1 756769192 SRYBNKDYUFOYKP-ZDUSSCGKSA-N 425.466 4.150 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(Cc2ccccc2)C[C@@H](O)c2ccsc2)c1 758477776 BFWAVFLFYBQYHA-HXUWFJFHSA-N 446.550 4.198 5 20 IIBD Cn1c(SCc2ccc(S(=O)(=O)C(F)F)cc2)nc2cc3ccccc3cc2c1=O 760436791 SSIHKCCAYTXTGO-UHFFFAOYSA-N 446.500 4.375 5 20 IIBD O=C(OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cc2ccccc2cc1OC(F)F 761511181 ICRCTJIWCJUCNM-UHFFFAOYSA-N 442.374 4.096 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(C[C@@H](C)C(=O)O)cc2)CC1 762157471 JWNQRYHJPTVRFX-MRXNPFEDSA-N 425.485 4.347 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)OC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 762908438 SQVWJDTWXFOIOG-HNNXBMFYSA-N 447.451 4.063 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1ncc(-c2ccc(F)cc2)o1 763809451 ABPWNANKRBVDBK-UHFFFAOYSA-N 432.429 4.484 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1c(C)cc(C)cc1C 763810245 LWYLOUUEWNNWTJ-UHFFFAOYSA-N 432.498 4.054 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(c1ccc(N2CCOCC2)cc1)C(C)C 765034805 UAKBKHWJSCVHBH-FQEVSTJZSA-N 425.529 4.442 5 20 IIBD C[C@H](C(=O)N1CCC(O)(c2ccccc2C(F)(F)F)CC1)c1ccc([N+](=O)[O-])cc1F 765094126 CKBMCVGKHFIRHS-ZDUSSCGKSA-N 440.393 4.366 5 20 IIBD O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 767503821 RONJWAVAUXSMCR-UHFFFAOYSA-N 430.420 4.244 5 20 IIBD CC(=O)c1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)ccc1Br 768866201 QQUKAQDKOXIWQJ-UHFFFAOYSA-N 433.667 4.014 5 20 IIBD CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 769998785 UGLISTQZEOKJJF-UHFFFAOYSA-N 429.763 4.242 5 20 IIBD C[C@@H](OC(=O)CCCC(F)(F)F)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 771135454 FCLQTVHUIWCFJJ-SNVBAGLBSA-N 431.392 4.321 5 20 IIBD C[C@H](OC[C@H]1CCCCO1)C(=O)O[C@H](c1ccc(Br)cc1)C(C)(C)[N+](=O)[O-] 774367277 GOUFPDUUVBTDKP-IAOVAPTHSA-N 444.322 4.063 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2nnc(C[C@H](C)CC(C)(C)C)o2)cc1[N+](=O)[O-] 775114168 AUVNBMBSMQJRPF-JTQLQIEISA-N 430.914 4.355 5 20 IIBD CN(C)c1ccc(N(Cc2ccc[nH]2)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1 775788043 RRKZSBYCGZFDLZ-UHFFFAOYSA-N 430.468 4.022 5 20 IIBD C[C@@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)Cc2ccccc2F)c1 776606408 WSRAFXFWMIXJIG-MWTRTKDXSA-N 437.471 4.299 5 20 IIBD Cc1noc(-c2cc(Cl)ccc2OS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)n1 778079370 NFYXIHZCIICFCQ-UHFFFAOYSA-N 444.252 4.336 5 20 IIBD Cn1ccnc1[C@@H](NCCc1ccc(Br)cc1F)c1ccc([N+](=O)[O-])cc1 780765050 VIVZZSZGAWNXAV-SFHVURJKSA-N 433.281 4.152 5 20 IIBD Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781617438 SYCUAZFSIQMBNT-JOCHJYFZSA-N 444.447 4.287 5 20 IIBD Cc1cc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cnc1N1CCCC[C@H]1C 781718960 YUEQPHYDUBWCHH-OAHLLOKOSA-N 427.461 4.157 5 20 IIBD Nn1c(SCc2ccc([N+](=O)[O-])cc2Cl)nnc1-c1ccc(OC(F)F)cc1 782221187 VCHVACWXXCZPEM-UHFFFAOYSA-N 427.820 4.114 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1cc(F)cc(F)c1Br 785493340 RJSWVKRFKKAYDH-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD CC[C@@H](OC1CCCC1)C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 785935980 RDJKSYSGDWROOY-BDJLRTHQSA-N 432.395 4.222 5 20 IIBD Cc1cccc(-c2nnc([C@H](C)OC(=O)COc3ccc([N+](=O)[O-])c4cccnc34)o2)c1 786788313 WKQRILZCZMOVQM-AWEZNQCLSA-N 434.408 4.185 5 20 IIBD C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 786931732 QFAAGOVGZKYNQR-DYVFJYSZSA-N 447.454 4.118 5 20 IIBD Cc1cc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)ccc1NC(=O)OC(C)(C)C 787509403 WPWYATLDSXFGDE-UHFFFAOYSA-N 427.457 4.154 5 20 IIBD O=C(OCc1ccc(F)cn1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 787600433 KLCNVGWKESSBGA-UHFFFAOYSA-N 427.354 4.108 5 20 IIBD Cc1c(NC(=O)[C@@H](C)N2CCC(COc3ccc(Cl)nc3)CC2)cccc1[N+](=O)[O-] 789314411 VHVXCVAVPRDKLA-OAHLLOKOSA-N 432.908 4.070 5 20 IIBD C[C@@]12CCN(C(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@H]1C2(Cl)Cl 791187908 YVLZRBBDUFOPQL-UKRRQHHQSA-N 440.249 4.458 5 20 IIBD CCc1c(C(=O)OCC(=O)Nc2c(C)cccc2[N+](=O)[O-])cnn1-c1ccccc1Cl 791588048 WFHIEDFGTKTLEM-UHFFFAOYSA-N 442.859 4.100 5 20 IIBD CCC(=O)c1ccc(N2CCCN(Cc3csc([C@H](C)OC)n3)CC2)c([N+](=O)[O-])c1 795105007 AYJNGTCPSCJSQW-HNNXBMFYSA-N 432.546 4.064 5 20 IIBD CC(C)[C@H](C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1cccnc1 797904638 PTVKQTPSVKMHPK-SJCJKPOMSA-N 439.390 4.319 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3csc(C)n3)cc2)c([N+](=O)[O-])c1 799517996 WXHWRLSABLVBKB-LBPRGKRZSA-N 441.465 4.219 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CNC[C@H](O)c3cccc(Br)c3)cs2)c1 800289948 VERRHFUNPGPBGM-KRWDZBQOSA-N 434.315 4.304 5 20 IIBD COCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 802342986 PQTYIJGIXUASTI-SFHVURJKSA-N 439.516 4.226 5 20 IIBD Cc1ccnc2ccc(C(=O)OCC(=O)Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc12 803869902 REVROJLJVILOSI-UHFFFAOYSA-N 433.342 4.266 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(C[C@@](O)(c3nc4ccccc4s3)C(F)(F)F)n2)s1 809468640 NXYNICZKYZRPQW-OAHLLOKOSA-N 442.400 4.309 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1CC 813292011 IGEBNKKEKZFBFC-KBPBESRZSA-N 442.472 4.477 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CCC3(CC2)CCN(C(=O)OC(C)(C)C)C3)cc1[N+](=O)[O-] 814308238 IDTRWWKCPOBDEG-QGZVFWFLSA-N 446.548 4.397 5 20 IIBD C[C@@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1ccc(N2CCCOC2=O)cc1 814356607 ZIHQTDAUWRHGTQ-GFCCVEGCSA-N 435.839 4.154 5 20 IIBD O=C(OCc1nc(Cc2ccc(F)cc2)no1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 815512442 VUHXLTVSIZQCJW-UHFFFAOYSA-N 425.294 4.084 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](Cc1ccccc1)N(C)C(=O)OC(C)(C)C 820513904 BKPFZZVGJMHJEB-GOSISDBHSA-N 427.501 4.111 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]1c1nc(-c2ccc(Oc3ccccc3)nc2)no1 904451911 XCIIGXKILSPNBC-MRXNPFEDSA-N 447.407 4.402 5 20 IIBD CC(C)c1c(C(=O)OCc2ccc(C(N)=O)cc2[N+](=O)[O-])cnn1-c1ccc(Cl)cc1 913378712 JBVBUFULQOEAOS-UHFFFAOYSA-N 442.859 4.013 5 20 IIBD C[C@@H](OC(=O)CCOc1cccc([N+](=O)[O-])c1)C(=O)Nc1nc(-c2ccccc2)cs1 915447851 FZLXHCOHHOLMPM-CQSZACIVSA-N 441.465 4.058 5 20 IIBD CCOc1ccccc1Oc1ccc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cn1 916481275 HLKFYAQSEGVRNP-UHFFFAOYSA-N 438.396 4.019 5 20 IIBD Cc1c(C(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 917805719 CFHQQIHOPFDUIL-UHFFFAOYSA-N 440.456 4.468 5 20 IIBD CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 918324725 UCNJRVCXRGGKOM-UHFFFAOYSA-N 446.511 4.206 5 20 IIBD C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 918652736 ACNIRFYKHSNOLX-KRWDZBQOSA-N 436.512 4.462 5 20 IIBD CS(=O)(=O)c1cc(C(=O)O[C@H](Cc2ccccc2)c2ccccc2)cc([N+](=O)[O-])c1 1263376320 SXUJITPAJZMCNB-OAQYLSRUSA-N 425.462 4.139 5 20 IIBD O=C(CCOc1cc(Cl)ccc1Cl)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 1318015679 XZGOAMZFDJOKTP-UHFFFAOYSA-N 438.223 4.464 5 20 IIBD COc1cc(Br)c(OC)c(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1 1318685563 OKPYAYLFVKZYQK-UHFFFAOYSA-N 437.290 4.127 5 20 IIBD Cc1cccc(N2N=C(C(=O)O[C@H](c3cccnc3)c3ccccc3[N+](=O)[O-])CCC2=O)c1 1320649644 QOEOPLZVJPLAFZ-HSZRJFAPSA-N 444.447 4.114 5 20 IIBD COC(=O)[C@H](NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1ccc2c(c1)CCO2 1321503963 AOVJFQDJURABPG-OAQYLSRUSA-N 442.855 4.447 5 20 IIBD COC1(COC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CCOCC1 1518268866 AYWYKMZLIHOUKL-UHFFFAOYSA-N 434.876 4.213 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)NC1(c2ccc(NC(=O)c3nccs3)cc2)CCC1 1787512137 WCOGCQSYZPNVJS-UHFFFAOYSA-N 436.493 4.042 5 20 IIBD Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc([N+](=O)[O-])o2)cc1Cl 1793271338 NIMHXCUGUJYAKO-REIKKDASSA-N 443.887 4.115 5 20 IIBD Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])C3)s1 1794977407 PJFGEOCXMPNNLN-BJWYYQGGSA-N 447.944 4.113 5 20 IIBD CCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c(F)ccc([N+](=O)[O-])c2C)C3)cc1 1799729446 ZCBGFEZAUKQDDV-REPLKXPHSA-N 439.487 4.170 5 20 IIBD C/C=C(/C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CSc2ccccc2[N+](=O)[O-])[nH]n1 1821900395 AJKUMGQMRSUCOA-AUBBPRACSA-N 443.529 4.069 5 20 IIBD CC1(C)CCC(CC(=O)N2CCCC23CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C3)CC1 1845259160 NMKHTJMZWUYXNY-CMDGGOBGSA-N 439.556 4.418 5 20 IIBD C[C@@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 10531978 SXMDLTWPSCAZQO-MRVPVSSYSA-N 431.754 4.033 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1[N+](=O)[O-] 12970435 LNSGCNSEJZDWKS-UHFFFAOYSA-N 444.296 4.138 5 20 IIBD CCOc1ccc(Nc2ncccc2C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 18078470 UKBTVBNUBKJNSO-UHFFFAOYSA-N 447.495 4.095 5 20 IIBD CCOc1cc(C(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)c([N+](=O)[O-])cc1OC 18122308 IBINIBZFIVTDEC-UHFFFAOYSA-N 441.528 4.084 5 20 IIBD CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 21771057 YEBAHNMHTXTGDO-UHFFFAOYSA-N 430.873 4.260 5 20 IIBD C[C@@H](OC(=O)CSc1nc2ccccc2s1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 22098135 KJQZDSBSLVQCQQ-SNVBAGLBSA-N 435.458 4.006 5 20 IIBD Cc1cccc(C(=O)N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)c1[N+](=O)[O-] 24921457 RKIXDSWFRXZWAF-UHFFFAOYSA-N 440.500 4.124 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nnc(-c2ccccc2Cl)n1C 26264903 NLRAUODPZQLCDM-UHFFFAOYSA-N 431.905 4.473 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(Oc2ccccc2OCC(F)(F)F)c([N+](=O)[O-])c1 60377134 AGTLKUYZVAIAKK-UHFFFAOYSA-N 448.419 4.359 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)Cc1c(C)noc1C 60539197 RVXWFDRBHRIFRA-UHFFFAOYSA-N 429.454 4.286 5 20 IIBD C[C@@H]1CCCCN1Cc1ccc(CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 64884624 BVPHRNYLWHWICR-GOSISDBHSA-N 447.539 4.300 5 20 IIBD CCOc1cc(C(=O)Nc2cc(C)nn2-c2cccc(Cl)c2)c([N+](=O)[O-])cc1OC 105411091 VLINOKQCBMUJKP-UHFFFAOYSA-N 430.848 4.402 5 20 IIBD COCCn1cc(C(=O)Nc2c3ccccc3n3c(C)nc4ccccc4c23)ccc1=O 108012174 XGABUHQHIRUEBE-UHFFFAOYSA-N 426.476 4.010 5 20 IIBD COc1cc(CCNC(=O)[C@@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])cc1OC 217474226 ULKHLBVZGPHLNZ-JKSUJKDBSA-N 438.402 4.093 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@H]2c3ccccc3C[C@H]2O)cc1 238093509 WXWSWQDBKIKXTK-NOZRDPDXSA-N 426.476 4.195 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NCc1ccn(-c2ccccc2)n1 301119517 QCHZZJQXAQOAQR-UHFFFAOYSA-N 449.492 4.193 5 20 IIBD Cc1nnc(Sc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])n1[C@@H]1CCC[C@@H](C)C1 301849903 WILMXUFOLATGCQ-ZYHUDNBSSA-N 446.501 4.393 5 20 IIBD O=[N+]([O-])c1cncc(Br)c1NCc1ccc(N2CCc3ccccc3C2)nc1 301903230 XCOFLCNANCOJNP-UHFFFAOYSA-N 440.301 4.322 5 20 IIBD CCC[C@@H]1CCc2nc(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)sc2C1 303438869 HJCGPPNYXWDMIU-TZMCWYRMSA-N 448.570 4.261 5 20 IIBD O=C(O)C[C@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cnn(-c2ccccc2)c1 426759959 PHFMIVIVJUZDLA-NRFANRHFSA-N 432.436 4.346 5 20 IIBD COc1ccccc1[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccco1 426960704 SZLMDBLCURACQY-GOSISDBHSA-N 431.242 4.478 5 20 IIBD Cc1cnc([C@H](C)NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)s1 427050066 VHGYTNAJFIBHOA-LBPRGKRZSA-N 442.463 4.472 5 20 IIBD Cc1ccc2nc(CSCC(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)cn2c1 427604550 ZSWQGMVCIXMLFH-UHFFFAOYSA-N 438.431 4.119 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)Nc1c(Cl)ccc2c1CCO2)c1ccccc1[N+](=O)[O-] 433811675 KNHALBBPOVFCRZ-INIZCTEOSA-N 447.875 4.388 5 20 IIBD O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436082469 KTPNYOVIPKTDDT-UHFFFAOYSA-N 447.441 4.448 5 20 IIBD Cc1nccn1-c1ccc(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1F 436311453 XRIUXFOWWHZMMV-UHFFFAOYSA-N 426.451 4.245 5 20 IIBD O=C(c1cc(I)ccc1F)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437125475 POENVUOJZNUKOR-UHFFFAOYSA-N 440.212 4.143 5 20 IIBD O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437129184 POTCTKJQVICBMJ-UHFFFAOYSA-N 426.860 4.422 5 20 IIBD C[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 440871754 GCTYWFWRHAIZIN-OPAMFIHVSA-N 428.510 4.156 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CC[C@H](COCc2ccccc2)C1 444103920 WHIXFCUIVYYLKD-SFHVURJKSA-N 430.479 4.499 5 20 IIBD Cc1ccc(NC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c(-c2nc(C3CC3)no2)c1 444916091 ARIVYMQVPATMEF-UHFFFAOYSA-N 433.428 4.029 5 20 IIBD O=c1ccc([N+](=O)[O-])cn1Cc1nc(C2(c3cccc(C(F)(F)F)c3)CCCCC2)no1 445519355 HTNZOTFIRDMXBF-UHFFFAOYSA-N 448.401 4.457 5 20 IIBD Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/c2nc(-c3c([N+](=O)[O-])ncn3C)no2)o1 445573740 JOBHOZVUHROHIT-PKNBQFBNSA-N 443.423 4.303 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N1Cc2ccccc2C[C@H]1c1ccccc1 446897872 GJDADDPFJDDRLI-QFIPXVFZSA-N 427.464 4.480 5 20 IIBD COc1c(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)c(C)nn1C 461006541 KHGHQICWBXWJBU-UHFFFAOYSA-N 446.916 4.380 5 20 IIBD Cc1ccc(-c2nnc(N(Cc3cccc([N+](=O)[O-])c3)C3CC3)n2C[C@H]2CCOC2)s1 461599261 NURABGVMANSXAP-QGZVFWFLSA-N 439.541 4.429 5 20 IIBD COCCN([C@H](C)c1ccccc1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 462261951 YDVQMVSSTDOPLD-GFCCVEGCSA-N 433.313 4.300 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2c3ccccc3CC[C@@H]2C(C)C)cc1OC 462590625 JGBXRQYJZRPKTB-UZUQRXQVSA-N 442.512 4.318 5 20 IIBD Cc1csc(Nc2ccc(NC(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)cc2)n1 465123539 TZAQHQVOZWIQFO-UHFFFAOYSA-N 426.454 4.056 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OCCN3CC[C@H](C)C3)cc2)cc1SC 465190113 ZOVHYYWGWUVMOL-HNNXBMFYSA-N 445.541 4.298 5 20 IIBD O=C(NCCc1cn2c(n1)SCC2)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 466503304 KDBJCMOQIORDIM-UHFFFAOYSA-N 444.900 4.315 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1 469019430 PESUMDNAZGLJML-KPZWWZAWSA-N 425.268 4.269 5 20 IIBD COC(=O)c1cc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc(Br)c1F 470019588 UGBJCHZHUWWITO-UHFFFAOYSA-N 439.237 4.199 5 20 IIBD COc1cc(C(=O)N[C@@H]2CCC[C@]2(C)CO)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 474142257 NVVHPUWFIIQYMJ-TZIWHRDSSA-N 434.876 4.330 5 20 IIBD Cc1nc2ccccc2n1C1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 474635053 NJVGUOBTCNTBIW-UHFFFAOYSA-N 441.919 4.496 5 20 IIBD O=C(CCc1cnccn1)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 476079317 JSMPZJNTNHLVPK-UHFFFAOYSA-N 430.823 4.219 5 20 IIBD COc1cc(C(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)cc([N+](=O)[O-])c1OC 477612373 VBIFEACOHOBHMS-UHFFFAOYSA-N 436.289 4.485 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(Oc2ccccc2)cc1 478096532 SSZGLSICIXJBHI-UHFFFAOYSA-N 439.855 4.338 5 20 IIBD COc1ccc(CN(CCc2ccccn2)C(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 478122807 ZRSRAMCABCKEQL-UHFFFAOYSA-N 437.521 4.362 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(F)c(NC(N)=O)c2)cc1 478558705 VUYSBOWXUSLDAV-UHFFFAOYSA-N 440.387 4.278 5 20 IIBD Cc1ccccc1[C@@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)C(C)C 483035028 BMNBJUWPRXSOQL-IBGZPJMESA-N 425.514 4.310 5 20 IIBD CCOC(=O)c1csc([C@@H]2CCCN2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)n1 484939336 SAARXAGGYAULGX-KRWDZBQOSA-N 442.497 4.263 5 20 IIBD C[C@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1ccc(OCc2ccc(F)cc2)cc1 485599012 IICUUFBRENZWOB-HNNXBMFYSA-N 426.448 4.122 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCC(=O)N(C)C)c(Cl)c1 486741745 LZIFVHNIXSWLAE-UHFFFAOYSA-N 437.905 4.080 5 20 IIBD O=C1CCC(=O)N1c1ccc(C(=O)N(c2ccsc2)C2CCCCC2)cc1[N+](=O)[O-] 487238583 ZMCPTWJIPZAILR-UHFFFAOYSA-N 427.482 4.289 5 20 IIBD CCOC(=O)[C@H](c1ccc(Cl)cc1)N(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)C1CC1 487264282 LXWHXWMFAJKNSW-IBGZPJMESA-N 432.860 4.166 5 20 IIBD CC[C@H](C)[C@](C)(O)CNc1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1[N+](=O)[O-] 488151158 RBWRHCPMWASECU-HRAATJIYSA-N 435.546 4.019 5 20 IIBD Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1C 488240581 UUTVWMUZVDUXHY-KXBFYZLASA-N 445.566 4.232 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 489195019 JURXYAGPOYXQNG-ZDUSSCGKSA-N 437.468 4.317 5 20 IIBD Cc1cccc(N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC(=O)N2CCCCC2)c1 489353371 GWDYYHIHGBXVJP-UHFFFAOYSA-N 444.919 4.014 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccn(-c2ncccc2C(F)(F)F)n1 489369434 HPLOKODZJIOTEU-UHFFFAOYSA-N 434.378 4.025 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1[N+](=O)[O-] 494007849 UIKRMXKNPBOWGT-JTQLQIEISA-N 429.782 4.391 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@H]1CCOC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 494508924 CNYBLRLQWVYDFT-AWEZNQCLSA-N 442.859 4.102 5 20 IIBD CN(Cc1ccc(Br)c(F)c1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 494862607 BZHDXXHNNKWHNE-UHFFFAOYSA-N 436.281 4.369 5 20 IIBD COC[C@@H](C)n1ccc(NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n1 495196156 SUIWQKBFXQELSO-QGZVFWFLSA-N 432.484 4.464 5 20 IIBD COCCN(C(=O)c1cc([N+](=O)[O-])ccc1OC)[C@@H](C)c1cccc(C(F)(F)F)c1 500444004 RTEOJKQBDVSBPZ-ZDUSSCGKSA-N 426.391 4.472 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCOC[C@@H]1c1nc2ccccc2s1 500707010 BQKMZDFMICAGLT-OAHLLOKOSA-N 448.298 4.181 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N[C@H](c1cccc(OC(F)(F)F)c1)C1CC1 503528082 RYUVLWFXNOBQFK-SFHVURJKSA-N 449.389 4.320 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 505314165 LLLBZBSXOJXCNK-FQEVSTJZSA-N 431.452 4.353 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@H](C)N(C)c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 507052120 LWDMYPZXMLKAJN-ROUUACIJSA-N 433.512 4.418 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccnc(OCC(F)(F)F)c1 509330504 HAJAKLMGRSLTDM-UHFFFAOYSA-N 426.395 4.051 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 509378848 LHDGSBOFPKDMJD-UHFFFAOYSA-N 438.528 4.341 5 20 IIBD C[C@@H]1C[C@@H](CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)CN1Cc1ccccc1 510147780 JHWRIQLOYDBGMM-NVXWUHKLSA-N 446.345 4.388 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1cc2ccc(Br)cn2n1 511318954 IGROYBKPKXJLLX-UHFFFAOYSA-N 439.653 4.066 5 20 IIBD COc1cc(CN(C)C[C@@H]2OCCc3ccccc32)c([N+](=O)[O-])cc1OCC(F)(F)F 511633188 ZRIXOHBEHIQSMI-FQEVSTJZSA-N 440.418 4.290 5 20 IIBD COc1cc(F)ccc1NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] 512271797 VNEJQNLKONQIEC-UHFFFAOYSA-N 433.417 4.039 5 20 IIBD COc1ccc(-c2cnc(NC(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])n2C)cc1 515087997 PWMXQEFRECKYNC-UHFFFAOYSA-N 429.436 4.318 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@H](OCC(F)(F)F)C1 515614671 FHGYJCTWWDYKIT-NSHDSACASA-N 446.369 4.276 5 20 IIBD C[C@@H](Cc1cccc(Br)c1)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 519121553 RIJKRGXSUIBAAG-HNNXBMFYSA-N 446.345 4.321 5 20 IIBD Cn1cc(C[C@@H]2CCN(C(=O)c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)C2)cn1 530832693 AWKUPHTXVYVXQW-HNNXBMFYSA-N 440.887 4.479 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCN(Cc2ccc(Cl)cc2)CC1 533884423 JBQHBSRPKUTNEG-UHFFFAOYSA-N 426.904 4.007 5 20 IIBD COc1cc(C(=O)N2CC[C@@H](Oc3cccc(Cl)c3)C2)c([N+](=O)[O-])cc1OC(F)F 535452566 ZCSRMDLMVORGIL-CYBMUJFWSA-N 442.802 4.152 5 20 IIBD COc1ccc(C[C@@H](C)CN(C)C(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1 535653461 VLILLZJFQFVDLC-CYBMUJFWSA-N 438.427 4.164 5 20 IIBD CC(C)(C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)n1cc([N+](=O)[O-])cn1 537481651 KNCSZNADONKSDY-UHFFFAOYSA-N 439.419 4.231 5 20 IIBD CC1(C)CC[C@@H](CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c2ccccc21 537667229 NJSRYGYHPJTEPO-ZDUSSCGKSA-N 447.438 4.106 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN(CCO)Cc3cnn(Cc4ccccc4)c3)o2)cc1 538729315 GQCKUHASYTUVDW-UHFFFAOYSA-N 432.480 4.094 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(Cn2cnc3ccccc32)c1 539934355 ISOJRMRMBIXHQN-UHFFFAOYSA-N 430.464 4.322 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN3CCO[C@@H](c4ccc(C(F)(F)F)cc4)C3)o2)cc1 541091171 ZLFBKQKSRVKALH-QGZVFWFLSA-N 434.374 4.237 5 20 IIBD C[C@H](C(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)c1ccc([N+](=O)[O-])cc1F 541583996 VRYPVMFGXOJCBM-NSHDSACASA-N 440.456 4.484 5 20 IIBD Cc1ccc(-c2nc(C)c([C@@H](C)NC[C@@H](O)COc3ccccc3[N+](=O)[O-])s2)cc1 541661434 JNCAKXKHMUYWSK-CRAIPNDOSA-N 427.526 4.426 5 20 IIBD C[C@@H](C(=O)Nc1ccnn1Cc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1F 542511429 ROMGVUGQYRJBEE-GFCCVEGCSA-N 447.264 4.483 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCn3c(nnc3C3CCCC3)C2)cc1OC 542914707 GABMYWLJNGCMDM-MRXNPFEDSA-N 443.548 4.293 5 20 IIBD Cc1ccc([C@H](C)NC(=O)NCCCc2nc(-c3ccc(F)cc3)no2)cc1[N+](=O)[O-] 543179367 RDWNLXINXFGDTN-AWEZNQCLSA-N 427.436 4.085 5 20 IIBD CCCc1c(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)cnn1-c1cccc(F)c1 543346981 KHMDATDQEGPLSE-UHFFFAOYSA-N 449.442 4.438 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1noc(-c2ccc3c(c2)nc(O)n3C2CCCC2)n1 544564311 OUIAMZFUSYQTFF-UHFFFAOYSA-N 434.456 4.470 5 20 IIBD CC[C@H](C)Oc1ccc(-c2noc(CSc3ccc(C(N)=O)cc3[N+](=O)[O-])n2)cc1 545026420 KVLLVHPVZLQETJ-LBPRGKRZSA-N 428.470 4.213 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1noc(COc2ccc(Br)cc2F)n1 546379236 VZHIJXNJVYHDKI-UHFFFAOYSA-N 437.225 4.113 5 20 IIBD O=[N+]([O-])c1ccc2c(ccn2Cc2nc(-c3cc(Cl)ccc3O[C@@H]3CCOC3)no2)c1 546493991 ZSKALSSZOVJYCF-MRXNPFEDSA-N 440.843 4.469 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@](C)(C(=O)OC)c2ccc(Cl)c(Cl)c2)c1 549289849 HVDRGYWYFMYSKI-IBGZPJMESA-N 441.267 4.119 5 20 IIBD C[C@@H](Cc1cc(Br)ccc1F)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] 553651930 BYFKLQXWPSWBFS-ZDUSSCGKSA-N 438.297 4.312 5 20 IIBD CC(=O)Nc1ccc(OC[C@@H](O)COc2ccc([N+](=O)[O-])cc2-c2cccs2)cc1 555566876 WSMYKDOYUXIEBG-QGZVFWFLSA-N 428.466 4.100 5 20 IIBD COCCN(Cc1cc(Br)cs1)c1ncnc2sc([N+](=O)[O-])cc12 557681930 OYIVZARFEQDSFY-UHFFFAOYSA-N 429.321 4.077 5 20 IIBD O=C(Nc1ccccc1)c1ccc(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 558486766 CYZNWNQZBADLHX-UHFFFAOYSA-N 432.436 4.274 5 20 IIBD COc1cc(C(=O)N2CC3(CCC3)[C@@H]2C(C)C)c([N+](=O)[O-])cc1OCc1cscn1 561000342 GSPILWGELHTQJE-IBGZPJMESA-N 431.514 4.290 5 20 IIBD O=C1CCC(=O)N1c1ccc(-c2nc(Cc3cc(Cl)ccc3Cl)no2)cc1[N+](=O)[O-] 564373444 ZGVOCUQKRMZILE-UHFFFAOYSA-N 447.234 4.196 5 20 IIBD COc1ccc(CSCC(=O)N2C[C@H]3CCCCN3c3ccccc32)cc1[N+](=O)[O-] 564720226 XDQDOJAQHTZEBT-QGZVFWFLSA-N 427.526 4.242 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H](C(N)=O)c1cccc(Br)c1 582010477 HLSVUONUOCUBHS-HNNXBMFYSA-N 446.223 4.035 5 20 IIBD CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3F)cc2F)ccn1 589578767 LUQQYMPEBLHTKL-UHFFFAOYSA-N 443.366 4.064 5 20 IIBD COCCN1C(=O)C2(CC2)N[C@@H]1c1ccc(Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 602759310 SWBGIDPFBZCLLO-NRFANRHFSA-N 439.512 4.294 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@@H]3CCN(c4ccc(F)cc4F)C3)cc2[N+](=O)[O-])CC1 609304462 KLMBPXJFPQDRPF-GOSISDBHSA-N 444.482 4.118 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 609310098 VVEFDWFJKDYOJH-KRWDZBQOSA-N 429.231 4.020 5 20 IIBD C[C@H]1Oc2ccccc2N(CC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1=O 609755419 KVGJSRNTSCMFSU-OAHLLOKOSA-N 433.420 4.140 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCS[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 609823090 BWCBDFZWOFFGQS-JKSUJKDBSA-N 435.571 4.140 5 20 IIBD Cc1csc(-c2ccc(NC(=O)C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)cc2)n1 610103568 GYMSYTNOCNESPN-UHFFFAOYSA-N 438.509 4.104 5 20 IIBD Cc1ccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1OCC1CCOCC1 610155243 DMOYFULNGSRKLD-UHFFFAOYSA-N 436.468 4.147 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C(=O)Nc2ccccn2)C1 611477648 SXVRAYUOONTFBM-INIZCTEOSA-N 442.541 4.373 5 20 IIBD O=[N+]([O-])c1ccc2ncnc(N3CCC(Nc4cccc(Br)c4)CC3)c2c1 618981079 SFGDYASEJDHLNB-UHFFFAOYSA-N 428.290 4.381 5 20 IIBD O=C(N[C@H]1C[C@H]1c1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 726566869 BIIMRRQBOFGGPC-WMZOPIPTSA-N 430.302 4.243 5 20 IIBD C[C@H](Cc1ccc(F)cc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727329990 KFFFTBBPRWWLIN-CQSZACIVSA-N 439.409 4.280 5 20 IIBD COCCc1noc(COC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)n1 728992162 YJWCGVWOYDZMSI-UHFFFAOYSA-N 449.872 4.328 5 20 IIBD COc1cc(C(=O)Oc2ccc(NC(=O)c3sccc3C)cc2)c([N+](=O)[O-])cc1OC 729219893 ZFBIGQZKKYUZJX-UHFFFAOYSA-N 442.449 4.453 5 20 IIBD CN(C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 731288580 VMMWPQQTFQGIJE-ZWKOTPCHSA-N 444.896 4.352 5 20 IIBD C[C@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NCc1cc([N+](=O)[O-])cc2c1OCOC2 731847857 ZLLPHAOBTYWWHM-OYHNWAKOSA-N 435.521 4.025 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)Oc1ccc(-c2noc(-c3cccnc3)n2)cc1 732739909 KQXHKOYZUGBRDL-UHFFFAOYSA-N 434.433 4.405 5 20 IIBD CN1CCN(CCCNC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)CC1 733887455 BJSCDRXIGGWYDL-UHFFFAOYSA-N 441.575 4.301 5 20 IIBD COc1ccc(CN[C@@H]2CCCc3nc(C)ncc32)cc1OCc1ccc([N+](=O)[O-])cc1 734851942 MSQCYCFQBVSXFP-OAQYLSRUSA-N 434.496 4.448 5 20 IIBD CSc1nc(C)c(CCC(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)n1 735445373 FQVMNEKXXCAVRN-UHFFFAOYSA-N 428.470 4.055 5 20 IIBD Cc1ccc(NC(=O)COC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c(Br)c1 736866291 INOXMHABYVKBBF-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD C[C@H]1CN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C 740870821 JFDSCUORDNSGSM-CMPLNLGQSA-N 448.398 4.261 5 20 IIBD Cc1c(C(=O)N(Cc2ccc(F)cc2)CC(F)(F)F)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 741994692 SLJPBYSWSHXWLP-UHFFFAOYSA-N 429.326 4.464 5 20 IIBD COc1cc(C)ccc1Oc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)cn1 742028966 QRSCXWBTERTVNV-UHFFFAOYSA-N 447.444 4.347 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1c2ccccc2N(C(=O)OC(C)(C)C)C[C@@H]1C 743344653 AHLSIZXZAHMMBQ-HNNXBMFYSA-N 447.513 4.242 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 744353484 VRKCDQXBARFTDN-SFHVURJKSA-N 425.268 4.018 5 20 IIBD CCOc1ccc(OC(C)(C)C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 744585960 XITRRBLPECJHAP-OAHLLOKOSA-N 430.457 4.030 5 20 IIBD C[C@@H](Cc1noc(-c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1)N(C)C(=O)OC(C)(C)C 746556977 KAIGKFRSHRCMAF-JTQLQIEISA-N 430.383 4.462 5 20 IIBD Cn1ncc(C(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)c1C1CC1 747112138 YILLGVQHQAKUCJ-UHFFFAOYSA-N 440.843 4.331 5 20 IIBD C[C@@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 747404704 XHRNVMVCFSMJPF-SJORKVTESA-N 446.548 4.304 5 20 IIBD CC[C@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)Nc1ccc(OC)cc1 747961037 DMXRWIFCZWIFHB-SFHVURJKSA-N 441.465 4.301 5 20 IIBD CC(C)[C@@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N1CCCC[C@H]1C 747961639 HHSXVDDRZGAWMA-RDTXWAMCSA-N 431.514 4.301 5 20 IIBD CC1CCN(c2ccc(C(=O)OCc3cc(F)cc4c3OCOC4)cc2[N+](=O)[O-])CC1 749201554 HUBJFGCMOPICRB-UHFFFAOYSA-N 430.432 4.194 5 20 IIBD C[C@@H](OC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1c(F)cccc1F 751635049 NIIFWHWQRGUORO-SECBINFHSA-N 430.816 4.189 5 20 IIBD O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc(CCC(F)(F)F)cc1 751888989 QHQVCTLMGCKPLC-UHFFFAOYSA-N 438.358 4.245 5 20 IIBD C[C@@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 752923939 GUGSPGIXTDFOKV-HZPDHXFCSA-N 434.537 4.165 5 20 IIBD CC1(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCN(C(=O)OC(C)(C)C)CC1 753361951 HEXDZSCDURPYJH-UHFFFAOYSA-N 446.548 4.306 5 20 IIBD Cc1ccc(OC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1[N+](=O)[O-] 755248706 IIPSWZLOCXKVJU-UHFFFAOYSA-N 436.386 4.380 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@@H](C)c2ccc([S@@](C)=O)cc2)CC1 756028142 BJXFNEQOCWLQBX-BEIWTESXSA-N 429.542 4.060 5 20 IIBD CCOc1ccc(C(C)=O)cc1COC(=O)Cc1ccc([N+](=O)[O-])cc1Br 756525166 HZZDKJILCNHXHN-UHFFFAOYSA-N 436.258 4.245 5 20 IIBD O=C(NCc1cccc(NC(=O)C2CCCC2)c1)NCc1cc([N+](=O)[O-])ccc1Cl 756924240 RWJVGVNTPTVTDZ-UHFFFAOYSA-N 430.892 4.376 5 20 IIBD O=C(COC(=O)c1cncc(-c2ccc(Cl)cc2)c1)Nc1cc([N+](=O)[O-])ccc1F 758112498 XAKCBMBOYGOIRL-UHFFFAOYSA-N 429.791 4.245 5 20 IIBD O=[N+]([O-])c1cccc(N(Cc2cccc(Cl)n2)S(=O)(=O)c2ccc(F)c(F)c2)c1 760434192 YDFFCGFXTYXNRG-UHFFFAOYSA-N 439.827 4.317 5 20 IIBD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c(Br)s1 761293308 BGTYRTNJVNDYNL-SNVBAGLBSA-N 427.276 4.220 5 20 IIBD O=[N+]([O-])c1ccc(Oc2ccc(-c3noc(-c4cncc(N5CCOCC5)c4)n3)cc2)cc1 761857778 RALHAGFGBAWOPT-UHFFFAOYSA-N 445.435 4.336 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@@H](c2nc(Cc3ccc(Oc4ncccn4)cc3)no2)C1 761896082 RVRUTAKPDSQVRH-LJQANCHMSA-N 444.407 4.017 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F 762450152 WMVMUAOYJBBZPE-UHFFFAOYSA-N 444.366 4.048 5 20 IIBD CN(CC1(c2ccc(Br)cc2)CC1)C(=O)c1cc(F)c([N+](=O)[O-])cc1F 763483981 GQSDNRLKYBVLQS-UHFFFAOYSA-N 425.229 4.439 5 20 IIBD COCC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cc1 763606771 NXARKDSJWTVGTC-UHFFFAOYSA-N 429.498 4.467 5 20 IIBD CC(=O)Nc1cccc(NC(=O)[C@@H](OC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C(C)C)c1 763720057 NQHLMEBLZDQXDV-SFHVURJKSA-N 433.848 4.027 5 20 IIBD COC(=O)c1ccc(OC(=O)c2[nH]c(-c3cccc(C(F)(F)F)c3)nc2C)cc1[N+](=O)[O-] 764860072 BSEMZSLATGXCHK-UHFFFAOYSA-N 449.341 4.318 5 20 IIBD COc1cc(COC(=O)Cc2csc(COc3ccc(C)cc3)n2)c([N+](=O)[O-])cc1F 766179388 CQMKOCBLYZHINF-UHFFFAOYSA-N 446.456 4.372 5 20 IIBD CCc1nc(N)nc(S[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)n1 767229028 FGXUOASBSBFQOL-INIZCTEOSA-N 444.904 4.050 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 768323046 RAPVKDWCOWAOMX-GFCCVEGCSA-N 441.793 4.222 5 20 IIBD C[C@H](OC(=O)C[C@H](C)c1ccncc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 769066014 KZDLFNJMMBGBRS-RYUDHWBXSA-N 425.363 4.073 5 20 IIBD Cc1cccc(-c2nnc([C@@H](C)OC(=O)c3cc(Br)ncc3[N+](=O)[O-])o2)c1 769837526 ALGAZDOMIAUSJA-SNVBAGLBSA-N 433.218 4.029 5 20 IIBD COc1cc(/C=C(\C(=O)NCc2cc([N+](=O)[O-])ccc2OC)c2ccccc2)ccc1O 772306145 XFRJQKOFYQODLI-NDENLUEZSA-N 434.448 4.175 5 20 IIBD CC[C@@H](OC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)c1cc(C)ccc1OC 772490977 BJWUJJPLWDFLLX-HXUWFJFHSA-N 437.452 4.074 5 20 IIBD O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)c1csc(Nc2ccccn2)n1 773425976 OPMHDRNJCKWWSC-UHFFFAOYSA-N 435.259 4.309 5 20 IIBD C[C@@H]1CN(CCOc2ccc(CCNC(=O)c3cccc(Cl)c3[N+](=O)[O-])cc2)C[C@H]1C 775504258 AADOLNYCQFISDX-IAGOWNOFSA-N 445.947 4.187 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 775991750 VINPCHBYMVXGJA-MRXNPFEDSA-N 446.307 4.383 5 20 IIBD CO[C@H](c1ccccc1F)[C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 776004575 RPBWWFVVAOSVNM-FVMDXXJSSA-N 429.217 4.142 5 20 IIBD COc1ncc(/C=C/C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2OCc2ccccc2)cn1 776307594 YLJGKMPMXFCTAS-BQYQJAHWSA-N 440.843 4.278 5 20 IIBD CSc1cccc(C(=O)Nc2ccc(OCCNC(=O)OC(C)(C)C)cc2)c1[N+](=O)[O-] 776901250 BETJMYFSSSKQJE-UHFFFAOYSA-N 447.513 4.473 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nn1-c1ccc(F)cc1 777154328 IKIURYRJCXILSJ-ZDUSSCGKSA-N 437.387 4.196 5 20 IIBD Cc1cc(Br)ccc1COC(=O)c1cc(Br)ncc1[N+](=O)[O-] 778137028 PTAFEWPEASMUHJ-UHFFFAOYSA-N 430.052 4.180 5 20 IIBD C[C@H](OC(=O)[C@@H](c1cccc(Cl)c1)N(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 780101347 AIUSJGRMAPMXSC-APPDUMDISA-N 440.283 4.075 5 20 IIBD CCO[C@@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1(C)C 780857443 YKKQSVWKRLMALA-HOSQHVHZSA-N 449.548 4.179 5 20 IIBD C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1Br)C(=O)N1c2ccccc2CC[C@H]1C 781673898 XWHGVOGGSVVOPZ-CHWSQXEVSA-N 447.285 4.271 5 20 IIBD C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 786928517 SLEUFLOKAYPGOM-NSHDSACASA-N 426.351 4.029 5 20 IIBD C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 790200630 DEHPNXKYNJJVAB-INIZCTEOSA-N 441.487 4.471 5 20 IIBD Cc1cc(CN2CCSCC2)ccc1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790613380 FSGHJZIONDBXCP-UHFFFAOYSA-N 437.924 4.426 5 20 IIBD O=C(NCCc1cccc(OCC(F)(F)F)c1)NCc1cc([N+](=O)[O-])ccc1Cl 792994211 ZSOSFJCUSWEEGY-UHFFFAOYSA-N 431.798 4.231 5 20 IIBD CCCCN(C)C(=O)c1ccccc1S(=O)(=O)Oc1cc(F)c([N+](=O)[O-])cc1Cl 796207085 DRVFRXGQYKBKOC-UHFFFAOYSA-N 444.868 4.027 5 20 IIBD CC(C)[C@@H](C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1cccnc1 797904642 PTVKQTPSVKMHPK-YVEFUNNKSA-N 439.390 4.319 5 20 IIBD C[C@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)c1ccc(Br)cc1 798277424 DYTRWKOCKIIECY-ZDUSSCGKSA-N 447.285 4.386 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)Cn1[nH]c(-c2ccccc2Br)nc1=S 800865851 LKFOTLGBYYSZHZ-UHFFFAOYSA-N 448.346 4.410 5 20 IIBD C[C@H](OC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 801895033 DTYNAUXQHVBVLQ-BJOHPYRUSA-N 432.301 4.334 5 20 IIBD C[C@@H](OC(=O)c1cc(F)c(Br)c(Cl)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 803735044 VWXOEQUXVNXIGK-MRVPVSSYSA-N 445.628 4.334 5 20 IIBD COc1cc(C)c(Br)cc1C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 803829408 OQNURTKGZWJGEG-UHFFFAOYSA-N 448.229 4.081 5 20 IIBD O=Cc1ccc(OCC(=O)N(Cc2ccccc2C(F)(F)F)CC2CC2)c([N+](=O)[O-])c1 804179831 RHRIFCBIXVBATN-UHFFFAOYSA-N 436.386 4.244 5 20 IIBD CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 807916240 PPTGILKQKQZBIQ-UHFFFAOYSA-N 438.362 4.051 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1cc(Br)cnc1OCC1CC1 808070700 WCKSMFIPTJLFIV-UHFFFAOYSA-N 428.189 4.072 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 809915256 NECNGQPTOFOPOB-UHFFFAOYSA-N 441.246 4.031 5 20 IIBD O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2 811214895 HWZZPPFAQOUHTD-KBUPBQIOSA-N 428.388 4.117 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(Cc1ccc(F)cc1)CC1CC1 812091487 MXSOBXMEUMMCKP-UHFFFAOYSA-N 425.464 4.055 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(N2CCCOC2=O)cc1 814355042 KBKGHJNCCWEQPJ-LBPRGKRZSA-N 437.374 4.451 5 20 IIBD O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CC[C@H](CSc2ccccc2)C1 815019535 PFRUQBAVDXODTL-LBPRGKRZSA-N 430.910 4.190 5 20 IIBD C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)nc1Cl 815051515 QJXPNUXYZDMGPP-SSDOTTSWSA-N 444.218 4.355 5 20 IIBD O=C(O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)C1(Cc2ccc(F)cc2)CCOCC1 816030867 FHESIROPIQELSE-IBGZPJMESA-N 446.450 4.034 5 20 IIBD CNC(=O)c1cc(Oc2cccc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])c2)ccn1 817004244 WVCCFQVCKJVEAT-UHFFFAOYSA-N 426.816 4.047 5 20 IIBD CC(C)(CCCNC(=O)OC(C)(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1Br 817211189 KKKURRFQSOUCEG-UHFFFAOYSA-N 444.326 4.171 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1Cc1ccccc1Br 819346402 ACQQLCJFZLPGSQ-CYBMUJFWSA-N 436.281 4.316 5 20 IIBD O=C(COC(=O)/C=C/c1ccccc1OC(F)(F)F)Nc1ccc([N+](=O)[O-])cc1Cl 914937740 JTUNREMBSJQIEI-VMPITWQZSA-N 444.749 4.342 5 20 IIBD CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)NC(=S)N1 916192025 MOHXVLMYCRTJGV-OAQYLSRUSA-N 449.488 4.391 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1OC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 916403452 AMBPYSVSGIKFQJ-UHFFFAOYSA-N 447.476 4.244 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)c1nccnc1-c1nc2ccccc2s1 918534576 NCYWAFAYESOAMV-UHFFFAOYSA-N 436.449 4.417 5 20 IIBD COc1cc(C(=O)O[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c([N+](=O)[O-])cc1OC 918803432 OKMBCLRKQZVZSL-LLVKDONJSA-N 431.376 4.028 5 20 IIBD O=C(COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)N[C@H](c1ccc(F)cc1)C1CCCC1 918862131 YKGFOSJODUVRTJ-HANTZDOSSA-N 426.444 4.338 5 20 IIBD CC[C@H](C)c1ccccc1OC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 919978574 FSTIDHGETOOCOW-DLBZAZTESA-N 446.525 4.115 5 20 IIBD CCN(CC)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2ccccc2)CC1 1321261382 APGDPVIVBIWUSD-UHFFFAOYSA-N 448.571 4.407 5 20 IIBD CCOc1cc(NC(=O)NCc2cc3cccc(OC)c3o2)c([N+](=O)[O-])cc1OCC 1322422946 IUMVQWAEYUSBRT-UHFFFAOYSA-N 429.429 4.469 5 20 IIBD O=C(Cc1coc(-c2ccccc2)n1)Nc1ccc([N+](=O)[O-])c(I)c1 1327141996 YOOWJSLGOFHHSW-UHFFFAOYSA-N 449.204 4.036 5 20 IIBD C/C=C(/C)C(=O)Nc1ccc(C2(NC(=O)Cc3cc(F)ccc3[N+](=O)[O-])CCC2)cc1 1791228504 ZPFOBYGUVIGBJE-CQPUUCJISA-N 425.460 4.377 5 20 IIBD C[C@H](C(=O)Nc1ccc(C2(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)CCC2)cc1)n1cccc1 1791789525 GLBXMIJNDONORU-MRXNPFEDSA-N 448.479 4.111 5 20 IIBD Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C3)oc2ccccc12 1797415766 XGFJEJXKYZKPHY-REPLKXPHSA-N 447.491 4.144 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)CCC2CCCC2)[nH]n1)c1ccc([N+](=O)[O-])o1 1814309735 HHOBQCLXYRPAFC-MRXNPFEDSA-N 429.477 4.187 5 20 IIBD Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C3CC3)CC2)cc1[N+](=O)[O-] 1824215074 UBZGKAMGELCYHM-CZQLGGELSA-N 439.556 4.032 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCC([C@@H]2CCCCN2C(=O)CC2CCCC2)CC1 1826258930 QBRHJBOCFRBBRI-DJGBTNNQSA-N 443.544 4.401 5 20 IIBD O=C(C1CCCCC1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1 1830488817 CJLJXCUNUMUAAC-FQEVSTJZSA-N 443.544 4.114 5 20 IIBD C/C=C(\C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1832904468 UDJQTURURYDOIQ-CBEUYICDSA-N 425.529 4.194 5 20 IIBD C[C@H](OC(=O)c1ccccc1OCc1ccc(F)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 10587726 PZRKQBBJJZQNTC-HNNXBMFYSA-N 438.411 4.497 5 20 IIBD CC[C@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 10840847 AHMYGHPURMSSSP-HNNXBMFYSA-N 431.905 4.409 5 20 IIBD COc1ccc(C)cc1CCNc1cc([N+](=O)[O-])c(OC)c(Br)c1[N+](=O)[O-] 14268907 SEVAUSJWNCERET-UHFFFAOYSA-N 440.250 4.246 5 20 IIBD O=C(Cn1cnc2cc(-c3ccccc3)sc2c1=O)Nc1cc([N+](=O)[O-])ccc1Cl 14365972 PGRUEJJNHBIIAM-UHFFFAOYSA-N 440.868 4.325 5 20 IIBD C[C@@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Br)c1 15644051 ZKGQMSRUKPDJCU-SECBINFHSA-N 427.638 4.195 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cccc(NC(=O)OC(C)(C)C)c1 18026204 YPYZBEWRGHRUBC-UHFFFAOYSA-N 429.429 4.046 5 20 IIBD C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 21683256 CRAXYOOZRSEODB-GFCCVEGCSA-N 427.461 4.311 5 20 IIBD COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Sc1nc2cc3ccccc3cc2c(=O)n1C 26580924 LBZMGZQAYKYRMC-HZPDHXFCSA-N 447.560 4.453 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl 58955865 JCTJNCICACGZJI-SNVBAGLBSA-N 428.297 4.137 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCc2ccccc2COCc2ccccc2)cc1C 60499793 AWGCEMGNBDVYLQ-UHFFFAOYSA-N 440.521 4.407 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])NCc1cccc(Cn2cnc3ccccc32)c1 63677215 VAAYIVGEFBQKAC-UHFFFAOYSA-N 429.480 4.111 5 20 IIBD C[C@@H]1CN(c2ccccc2NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)O1 64736465 PAVPSKGMCXJNRQ-RBSFLKMASA-N 433.892 4.268 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(N(C)C(C)C)c(F)c2)ccc1[N+](=O)[O-] 110317311 UQFBKHZAVGNENE-NRFANRHFSA-N 442.491 4.130 5 20 IIBD O=C(CN1CCCC[C@H]1c1nc(-c2ccccc2)no1)Nc1ccc(Cl)cc1[N+](=O)[O-] 116700120 WXLPTFSZPIFOQF-KRWDZBQOSA-N 441.875 4.464 5 20 IIBD COc1ccc(CN(C)C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c(OC)c1 255939791 BUBMLSLPQRRCRM-IRXDYDNUSA-N 441.528 4.367 5 20 IIBD COc1cc(OC)cc([C@@H](Nc2ccc([N+](=O)[O-])cc2Br)c2nccn2C)c1 301376170 XQEPOWCOVLTDMC-GOSISDBHSA-N 447.289 4.310 5 20 IIBD Cc1cc(NCc2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)c2cccc([N+](=O)[O-])c2n1 302016285 LTRRRZYVRBKTGY-CALCHBBNSA-N 434.496 4.313 5 20 IIBD O=C(O)[C@@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccccc1Cl 426706958 YSEGQARASSKHQP-OAHLLOKOSA-N 431.901 4.405 5 20 IIBD C[C@H]1CCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCS1 427926243 WBMVDLZMKHIRAH-ZDUSSCGKSA-N 433.917 4.468 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)Cc1c[nH]c2cccc(Cl)c12)c1ccccc1[N+](=O)[O-] 431665260 DLSJUXSNYILECM-SFHVURJKSA-N 443.887 4.471 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 432509853 OPZIFROTYIDSMO-UHFFFAOYSA-N 443.569 4.477 5 20 IIBD Cc1cccc(O[C@H]2CCCC[C@@H]2NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 435754492 XFHADNQZOWRVAD-OALUTQOASA-N 431.876 4.002 5 20 IIBD CCOc1cc(-c2noc(COc3cccc([N+](=O)[O-])c3)n2)cc(Br)c1O 436754281 HWAHRRIZTHPXLY-UHFFFAOYSA-N 436.218 4.091 5 20 IIBD C[C@@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCN1Cc1ccccc1 437495585 ORMDMYUSCRAZMD-OAQYLSRUSA-N 439.559 4.278 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)c1ccc(SC(C)C)cc1 439721219 JCQARLSCVUEZSD-AWEZNQCLSA-N 431.514 4.310 5 20 IIBD O=C(NC[C@H](O)COc1ccc(F)cc1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 442627815 JUNHQHOSHHWGIZ-INIZCTEOSA-N 442.468 4.055 5 20 IIBD CC(C)N(Cc1nc(O)c2ccccc2n1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 443804632 SBLNWWNHFFNPBB-UHFFFAOYSA-N 434.374 4.313 5 20 IIBD Cc1ccc(F)c(-c2cc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)n[nH]2)c1 444811961 JTTZUIOWDRHBMW-UHFFFAOYSA-N 426.451 4.631 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(Cc3cccc(OCc4cccnc4)c3)n2)c1 445579972 RURILTRGVPSFBX-UHFFFAOYSA-N 432.436 4.142 5 20 IIBD O=C(c1cc(NCCc2nc3ccccc3n2C(F)F)ccc1[N+](=O)[O-])N1CCCC1 446860827 IKJRZIJEWSVQBQ-UHFFFAOYSA-N 429.427 4.230 5 20 IIBD Cc1cc(C[C@@H](C)Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)n(-c2ccccc2)n1 448070792 TWFLSFFOGMSIGQ-QGZVFWFLSA-N 433.512 4.368 5 20 IIBD CCS[C@H]1CCCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCOC2)C1 461536856 NVLKSNSNUXCLQO-LPHOPBHVSA-N 431.562 4.002 5 20 IIBD C[C@H]1[C@@H](c2ccccc2)C[C@@H](C)N1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 462404002 VMUVXVBJIKXJMI-WWGRRREGSA-N 439.331 4.313 5 20 IIBD CC[C@@H]1CN(c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])CCS1 463014774 VXGMKKKMMAAUCL-MRXNPFEDSA-N 435.571 4.344 5 20 IIBD CC[C@@]1(C)CCCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)C1 464584779 KQBZCOHJBBNIMU-QFIPXVFZSA-N 445.541 4.356 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2nc(-c3cccc(F)c3)no2)cc1SC 464935098 WQSIXGKVTAYRBV-SNVBAGLBSA-N 432.433 4.005 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N(Cc1cccs1)Cc1cccs1 465028505 IFRXPLGPZLPSEN-UHFFFAOYSA-N 430.507 4.261 5 20 IIBD O=C(NCc1c(F)cccc1OC(F)F)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 465197078 QVWWMJWJKPCQRD-UHFFFAOYSA-N 438.280 4.206 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N(C)CCC2CCOCC2)cc1[N+](=O)[O-] 466871814 UZEUYAZMRCDPQF-UHFFFAOYSA-N 442.537 4.436 5 20 IIBD CC[C@@H](NC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21)c1cccc([N+](=O)[O-])c1 469529458 QACNQLNTIFYSGW-HZPDHXFCSA-N 432.274 4.051 5 20 IIBD CC[C@H]1CN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC[C@H]1c1ccccc1 470001156 VDJZHWUEZWAADL-FXAWDEMLSA-N 437.496 4.325 5 20 IIBD CCc1ccc(-c2noc([C@H](C)NC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)n2)cc1 472400558 BOFJOTKMKFYQPH-AWEZNQCLSA-N 446.467 4.099 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)Nc2scnc2C)cc([N+](=O)[O-])c1C 473415854 WXTDLCXMXSYGGJ-UHFFFAOYSA-N 446.510 4.030 5 20 IIBD O=C(Nc1ccccc1)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 475194800 LUOSDUFRWQNZLJ-UHFFFAOYSA-N 436.390 4.496 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccccc1C(=O)N[C@@H](C)c1ccccc1 476322353 KPJWQUFMASCGFN-KRWDZBQOSA-N 432.480 4.445 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3cc(Cl)cc4cccnc34)CC2)ccc1[N+](=O)[O-] 477348857 HPHARQGMMVAXRP-UHFFFAOYSA-N 440.887 4.158 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)NCC(C)C)cc2C)cc1SC 483664752 FGCJWTZASGDTEH-UHFFFAOYSA-N 431.514 4.272 5 20 IIBD Cc1ccc(N2CCC(NC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])CC2)nc1 485697932 UFFJBZGLHWMWSR-UHFFFAOYSA-N 446.507 4.276 5 20 IIBD COC(=O)c1cc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)c(C)c([N+](=O)[O-])c1 485936190 CALIRFIMRKMSKU-UHFFFAOYSA-N 439.449 4.256 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCc2ccnc(Oc3ccccc3F)c2)c1C 486858871 PFWDNVOOHORDHO-UHFFFAOYSA-N 431.445 4.017 5 20 IIBD C[C@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2cccc(F)c2)no1 487184053 HWKGXJUNNBRALE-NSHDSACASA-N 433.827 4.040 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@@H]23)cc1[N+](=O)[O-])c1ccccn1 488729103 DCPQHWNIRSBFGM-MTSNRIFQSA-N 428.492 4.479 5 20 IIBD Cc1c(Br)cc(C(=O)N(C)[C@@H](c2ccccc2)c2ncc[nH]2)cc1[N+](=O)[O-] 492461658 FALFLEOMODOJRA-KRWDZBQOSA-N 429.274 4.250 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1[N+](=O)[O-] 493084971 ZLABKKFMXOYHHC-GDBMZVCRSA-N 445.907 4.073 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2C[C@H](CC(=O)N(C)C)c3cc(Cl)ccc32)cc1[N+](=O)[O-] 493260482 SIDOAMNUPAONBY-HOCLYGCPSA-N 444.919 4.409 5 20 IIBD COC(=O)c1cc(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c(C)cc1Br 494456140 KZUGTOXGDDAJHJ-UHFFFAOYSA-N 436.262 4.116 5 20 IIBD COCCN(C(=O)CO[C@H]1CCCC[C@H]1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 497549743 DRWJJGWCSMDNCM-BEFAXECRSA-N 433.530 4.293 5 20 IIBD O=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1cc([N+](=O)[O-])ccc1SCCO 497655919 HRGKDMFNBVYNRU-UHFFFAOYSA-N 438.509 4.131 5 20 IIBD CCc1cc(N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 498805366 KDKFQXSETFJAKW-HNNXBMFYSA-N 440.525 4.215 5 20 IIBD CCC(C)(C)C1CCC(NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC1 503431753 FZRWHUGGXUIJCX-UHFFFAOYSA-N 436.578 4.119 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 507909272 QKFIAEYWEZPRPE-GFCCVEGCSA-N 426.775 4.359 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCC[C@H](CN3CCC(C)CC3)C2)cc1[N+](=O)[O-] 509665693 SYFDVOPNEJYPPN-MRXNPFEDSA-N 438.366 4.250 5 20 IIBD COc1cc(CN2CCC[C@@H](N3CCCC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 510523843 VNAACPGFBGVJNW-JOCHJYFZSA-N 425.529 4.243 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@@H](c3ccnn3C)C2)c([N+](=O)[O-])c1 511142952 BWFBWZHBHPTEFW-AUSIDOKSSA-N 433.512 4.196 5 20 IIBD C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 512183091 TYURQLLGQSTAGO-AWEZNQCLSA-N 431.539 4.164 5 20 IIBD O=C(NCC1(c2cccc(Cl)c2)CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 516283036 XTCBIFCCDZDWSH-UHFFFAOYSA-N 436.295 4.468 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N(Cc1cccc(Br)c1)C1CC1 519166842 OJJNMAHWBWBVHB-UHFFFAOYSA-N 441.285 4.348 5 20 IIBD O=C(c1ccc(NCc2ccc(OC3CCCCC3)cc2)c([N+](=O)[O-])c1)N1CCOCC1 520562557 ZJRKQXYNJAGRCE-UHFFFAOYSA-N 439.512 4.391 5 20 IIBD COc1cccc(C2(CNC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)CCCC2)c1 521732981 CEEUPGXKIZDBFY-UHFFFAOYSA-N 437.540 4.448 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2CCc2ccc(OC)c(OC)c2)c1 522378117 MIAGRNFPSPMKSQ-QGZVFWFLSA-N 428.485 4.248 5 20 IIBD CNc1ccc(C(=O)Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)cc1[N+](=O)[O-] 523334586 JWUDQHZRQVRLGF-UHFFFAOYSA-N 430.464 4.021 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 523613199 FZJMHBFZEPHOIL-UHFFFAOYSA-N 440.681 4.078 5 20 IIBD Cc1ccccc1NC(=O)[C@H]1CCc2ccccc2N1C(=O)Cc1cccc([N+](=O)[O-])c1 525654671 NBLLKRDXYNFLAI-HSZRJFAPSA-N 429.476 4.432 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC(Oc2ccccc2Cl)CC1 533148010 KCCVNOZPWOYTGW-AWEZNQCLSA-N 433.892 4.127 5 20 IIBD COc1cc(CN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C2CC2)ccc1OC(F)F 533239861 XFWHJEKYPWSGDI-UHFFFAOYSA-N 435.427 4.116 5 20 IIBD CC(=O)c1ccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)nc1 534810464 OTRPKGIXDWMSHX-UHFFFAOYSA-N 436.390 4.066 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(NC(=O)c2cccnc2)c1 535004130 AMOCQAZQKYJYFD-UHFFFAOYSA-N 436.493 4.284 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)c1 538400267 LSMMBGWYEROYCU-UHFFFAOYSA-N 447.491 4.283 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 538810249 DEGIFDCRBDOZFO-NRFANRHFSA-N 431.492 4.500 5 20 IIBD Cc1cc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)ccc1-n1nnnc1C(C)C 541343482 BLPDCCHJHKVBBW-UHFFFAOYSA-N 449.496 4.378 5 20 IIBD COc1ccc(-c2nc(C)c([C@@H](C)NC[C@@H](O)COc3ccccc3[N+](=O)[O-])s2)cc1 542567473 AGWZXSZKXVETMO-RHSMWYFYSA-N 443.525 4.126 5 20 IIBD COC1CCC(CCNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 543493029 XTWWIPDFQNYFDM-MUYFXNHWSA-N 426.517 4.488 5 20 IIBD O=C(NC1CCN(C[C@@H]2CCOC2)CC1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 544564704 JZPRJIQBOHMVSK-SFHVURJKSA-N 447.601 4.108 5 20 IIBD O=[N+]([O-])c1cccc(/C=C/c2nc(Cc3nc(O)c4c5c(sc4n3)CCCC5)no2)c1 546241877 ILVSFOZMOCXSCY-CMDGGOBGSA-N 435.465 4.328 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2cccc(Br)c2)CC1 551390948 MLPOAQULZZHQRY-UHFFFAOYSA-N 439.697 4.365 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCC(c3noc(C(C)C)n3)CC2)cc1[N+](=O)[O-] 552956081 FWBVXQVNTICRAE-UHFFFAOYSA-N 437.294 4.192 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC(C)(C)c1ccc(C(F)(F)F)cc1 555044840 MVTAFXLGLIJBPX-UHFFFAOYSA-N 437.418 4.209 5 20 IIBD Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 555297403 ZMEQBYFCKFJYTB-UHFFFAOYSA-N 432.402 4.470 5 20 IIBD CCc1ccc2c(c1)[C@@H](CCNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)C(=O)N2 555880182 UCMZQPDBMFWGRW-CQSZACIVSA-N 446.301 4.084 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] 556540895 JLJPVISRSIOBMD-STQMWFEESA-N 429.439 4.316 5 20 IIBD COC(=O)c1cc(NC(=O)c2sc(-c3ccc(OC)cc3)nc2C)c(C)c([N+](=O)[O-])c1 565868840 LZGNKZPAXLJKRV-UHFFFAOYSA-N 441.465 4.383 5 20 IIBD C[C@]1(c2ccc(Br)cc2)CC(=O)N(Cc2ccc([N+](=O)[O-])cc2Cl)C1=O 569957686 JQDLEMQFMOCBOW-GOSISDBHSA-N 437.677 4.228 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccccc1F)c1nccn1C 576961880 HJTBBVWTGYHHBG-QGZVFWFLSA-N 447.264 4.058 5 20 IIBD CCOc1ccc(NC(=O)CNc2ccc(Cl)cc2OCC(F)F)c([N+](=O)[O-])c1 577497919 CRQCGQQYKDFCTB-UHFFFAOYSA-N 429.807 4.341 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@H]3c3ccc(Br)cn3)n2)c1 582680395 OXIYBKDZAFZRQG-INIZCTEOSA-N 430.262 4.139 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2cccc(OCc3ccccc3)n2)no1 590282233 UMRGWXKLMGLTLU-HNNXBMFYSA-N 445.435 4.110 5 20 IIBD C[C@H]1CCCN(c2nnc(SCC(=O)c3ccc([N+](=O)[O-])cc3)n2Cc2ccco2)C1 590710107 HSOANIXUILACRQ-HNNXBMFYSA-N 441.513 4.039 5 20 IIBD Cc1nc(C)c(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])o2)s1 600864587 KBYLLHLRUILDHM-UHFFFAOYSA-N 425.879 4.102 5 20 IIBD Cc1ccc(NC(=O)CN(C)C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1 603452479 KHYBFFDAGRMBSX-UHFFFAOYSA-N 432.480 4.226 5 20 IIBD Cc1c(C(=O)Nc2ccccc2SCC(F)(F)F)nnn1-c1cccc([N+](=O)[O-])c1 603492166 PDUYLEMQYQEGJX-UHFFFAOYSA-N 437.403 4.391 5 20 IIBD C[C@H](c1nnc(SCCOc2cccc([N+](=O)[O-])c2)n1-c1ccc(F)cc1)N(C)C 603722091 DHWIFGZJOMYXHK-CQSZACIVSA-N 431.493 4.108 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604318956 WMRZPQRGBBJMIU-VXGBXAGGSA-N 427.345 4.346 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCc2sccc2[C@H]1c1cccs1 608875533 OPQRRCAULUTLOS-YJYMSZOUSA-N 441.534 4.010 5 20 IIBD CCNc1ccc(C(=O)Nc2cc(C)nn2-c2ccc(C(F)(F)F)cn2)cc1[N+](=O)[O-] 608943167 AJJHQFZDTXTOTO-UHFFFAOYSA-N 434.378 4.187 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 608965478 YADOBFRMNFIMEJ-IBGZPJMESA-N 447.278 4.301 5 20 IIBD CCCCN(C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)[C@@H](C)CC 609522195 ZDRZULJWINBJGT-INIZCTEOSA-N 433.530 4.436 5 20 IIBD Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 609912274 CMFGTNXKPCZFCF-UHFFFAOYSA-N 441.488 4.226 5 20 IIBD CCOc1cc(CNC2C[C@@H](C)C[C@H](C)C2)ccc1OCCn1c([N+](=O)[O-])cnc1C 610089143 CPVSLGXETDJSLL-IRXDYDNUSA-N 430.549 4.492 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(NC(=O)CN3CCCC[C@@H]3C)ccc2F)c1 610224546 XRZZBBGKXAKCQI-HNNXBMFYSA-N 428.464 4.108 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CCC4(CC3)OCc3ccccc34)cc2)c(C)c1[N+](=O)[O-] 610742273 CAJHCAALUITBOZ-UHFFFAOYSA-N 446.507 4.118 5 20 IIBD CCOc1cc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)c([N+](=O)[O-])cc1OCC 619213094 NJPIOARGELGZSE-ZDUSSCGKSA-N 447.875 4.037 5 20 IIBD Cc1cc(SC(C)(C)C)ccc1NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 725758919 UGUYZWLAVZVBPM-UHFFFAOYSA-N 430.530 4.232 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OCc2csc(C3CCCC3)n2)ccc1[N+](=O)[O-] 726676132 ZOSQMTNOLKQNFN-LJQANCHMSA-N 443.525 4.365 5 20 IIBD COC(=O)Nc1cc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)ccc1F 727335724 WQEHJGXKRNVJCR-UHFFFAOYSA-N 441.419 4.026 5 20 IIBD CC(=O)c1csc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 730353303 NINDZZWXIIQEQM-NSHDSACASA-N 445.478 4.166 5 20 IIBD O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc2c(s1)-c1ccccc1OC2 731509534 FTZQTDXFICLIMN-SFHVURJKSA-N 436.445 4.178 5 20 IIBD C[C@@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 740480231 QJVAWHVIUAIXSP-IEBWSBKVSA-N 448.564 4.252 5 20 IIBD COc1cc(NC(=O)NCCc2ccccc2[N+](=O)[O-])ccc1NC(=O)OC(C)(C)C 743104589 HUMYLZBIDSOLCG-UHFFFAOYSA-N 430.461 4.315 5 20 IIBD COc1cc(C(=O)OCC(=O)c2cc(C)c(F)c(C)c2)c([N+](=O)[O-])cc1OC(F)F 744535482 ZOXZZWUCOKGJRT-UHFFFAOYSA-N 427.331 4.000 5 20 IIBD COc1ccc(OCCOC(=O)CCc2nc3cc(Cl)ccc3s2)c([N+](=O)[O-])c1 744975712 MVMOXKNXVYEEAM-UHFFFAOYSA-N 436.873 4.421 5 20 IIBD C[C@H](OC(=O)c1cc(Oc2ccccc2)ccn1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 745761685 GUEAJDDIPGKEON-ZDUSSCGKSA-N 425.372 4.105 5 20 IIBD Cc1c(C(=O)O[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 746068773 NMVYEPKCIVIAHH-JTQLQIEISA-N 432.776 4.433 5 20 IIBD C[C@H](OC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 747524082 MBPURBFQDGJOCU-JECHBYEQSA-N 433.258 4.031 5 20 IIBD Cc1c(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748629507 DXPVGBUPHQSVRM-UHFFFAOYSA-N 440.456 4.244 5 20 IIBD O=C(Nc1cccc(Br)c1)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 749320584 ZFRVSUGERWORFL-UHFFFAOYSA-N 440.244 4.491 5 20 IIBD O=c1c2ccccc2nc(SC[C@H](O)c2cccc([N+](=O)[O-])c2)n1Cc1ccccc1 749642542 WMDPUXMJUKUWIP-NRFANRHFSA-N 433.489 4.179 5 20 IIBD O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1c[nH]nc1-c1cccc(OC(F)F)c1 751664735 APYZPVYSSRNHCZ-UHFFFAOYSA-N 430.323 4.085 5 20 IIBD COc1ccc(CC(=O)OCc2cc(C)nc(-c3ccc(Cl)cc3)n2)cc1[N+](=O)[O-] 751703940 KDPPCBHKNDIMHJ-UHFFFAOYSA-N 427.844 4.308 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Oc2ccc(NC(=O)c3ccco3)cc2)cc1[N+](=O)[O-] 752228179 GNXJLHVMJYKDAM-UHFFFAOYSA-N 436.829 4.170 5 20 IIBD COc1cc(CN(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)ccc1SC 752251261 VPIOMWDMDHNOHF-UHFFFAOYSA-N 430.935 4.108 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[C@H](OCCCc2ccccc2)C1 752430197 PLNNETMHSZXPGH-QFIPXVFZSA-N 437.540 4.449 5 20 IIBD Cc1cc(C(=O)[C@H](C)OC(=O)c2c(F)ccc([N+](=O)[O-])c2F)c(C)n1Cc1ccco1 752562251 MEBRUWXZFIVONV-ZDUSSCGKSA-N 432.379 4.361 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 753216674 UEPDNUOVCJKCRE-ZDUSSCGKSA-N 431.370 4.497 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N[C@H]1CCOc2c1ccc(Cl)c2Cl 754067717 RXMQNEXDMAPABZ-LBPRGKRZSA-N 444.658 4.134 5 20 IIBD O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1cc(F)cc([N+](=O)[O-])c1Br 754976895 LVODVTQPAOTFKZ-AWEZNQCLSA-N 439.237 4.307 5 20 IIBD C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 755019729 KUVJSTYQRGIYJA-LMMOQWNQSA-N 433.804 4.130 5 20 IIBD COc1cccc(COc2cccc(NC(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)c2C)c1 756216290 ARTFGJWABIZOLW-UHFFFAOYSA-N 446.463 4.479 5 20 IIBD CCc1ccccc1NC(=O)[C@H](C)OC(=O)Cc1ccc([N+](=O)[O-])cc1Br 756524871 GTAUTVDORGNUMP-LBPRGKRZSA-N 435.274 4.033 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-])NC(=O)OC(C)(C)C 758422076 NBOKIWGOZOXPNL-QGZVFWFLSA-N 447.463 4.047 5 20 IIBD Cc1nnc([C@H](C)N[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)s1 759887592 XDNMGEDVXCAYQH-APPDUMDISA-N 431.905 4.439 5 20 IIBD Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 760167302 NFZGEYGOJZHQNT-GOSISDBHSA-N 433.940 4.498 5 20 IIBD Cc1cc(C)n(-c2ccc(Cc3noc([C@@H]4CC(c5ccccc5[N+](=O)[O-])=NO4)n3)cc2)n1 761420162 PXPASOUHOAURGV-NRFANRHFSA-N 444.451 4.237 5 20 IIBD O=C(O)C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(Cl)c1 761895021 FOOXUNVGKOCOAJ-ZDUSSCGKSA-N 429.281 4.326 5 20 IIBD CC(C)[C@H](NC(=O)OC(C)(C)C)c1noc(-c2ccn(-c3cccc([N+](=O)[O-])c3)n2)n1 762025216 LNAHTRANXUNARW-INIZCTEOSA-N 428.449 4.052 5 20 IIBD CC(C)(C(=O)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1F 762609977 CVXBRFLLIONXNO-SFHVURJKSA-N 448.800 4.231 5 20 IIBD C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 765053748 AUPITAABCHGSSQ-AEFFLSMTSA-N 442.516 4.308 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)N1CCC[C@@H]1c1cccs1 766231097 LGCDESPDORFULX-CXAGYDPISA-N 425.466 4.114 5 20 IIBD C[C@H](Cc1ccc(Br)cc1)C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 766237424 MFTAKNJIWIGJPQ-GFCCVEGCSA-N 446.257 4.329 5 20 IIBD CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2cccc(-c3cccnc3)c2)NC(=S)N1 768487448 WZUOIAOXIZLHQH-OAQYLSRUSA-N 445.504 4.088 5 20 IIBD O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCC(OCc2ccccc2F)CC1 769286656 DNBDYFBCHIMTHK-UHFFFAOYSA-N 437.265 4.318 5 20 IIBD CC[C@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@H]1NC(=O)OC(C)(C)C 769486611 UYJDXNGPROXISO-OXJNMPFZSA-N 443.548 4.121 5 20 IIBD CC(C)Oc1ccc([C@H](O)CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 771767864 LFDQNEBDPZXUEM-QGZVFWFLSA-N 427.379 4.256 5 20 IIBD C[C@@H]1CC(=O)CC[C@H]1C(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 776292630 RQPTZAFZCCCCAV-SJKOYZFVSA-N 430.844 4.411 5 20 IIBD CSc1cccc(C(=O)O[C@H](C)C(=O)Nc2cccc(Br)c2)c1[N+](=O)[O-] 777073130 CHWLYDGFSBFIPO-SNVBAGLBSA-N 439.287 4.263 5 20 IIBD Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2scnc2c1 777619041 BXBAAUGXAIAKCS-UHFFFAOYSA-N 428.289 4.076 5 20 IIBD CSc1ccccc1N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1C 777636115 NFXRTYRYDLNVQO-UHFFFAOYSA-N 431.333 4.213 5 20 IIBD COc1ccc2ccccc2c1-c1cc(COC(=O)CCn2cc([N+](=O)[O-])nc2C)on1 778111172 QNHKQAXLQHZEOD-UHFFFAOYSA-N 436.424 4.050 5 20 IIBD Cc1nn(-c2ccccc2)c2ncc(C(=O)O[C@H]3CCN(c4ccc([N+](=O)[O-])cc4)C3)cc12 778786279 BGUKAYSPODTGEF-NRFANRHFSA-N 443.463 4.073 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)N[C@H](C)c1ccc(Cl)cc1 778892681 PBGWFGDFNZBIQI-GHMZBOCLSA-N 442.802 4.272 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC(O)(c2c(F)cccc2F)CC1 779248822 YSEPPWWAZVFVCL-UHFFFAOYSA-N 445.447 4.120 5 20 IIBD COC1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3O)cc2C(F)(F)F)CC1 779662711 OASYNRLBAAPODT-UHFFFAOYSA-N 439.390 4.187 5 20 IIBD O=C(COC(=O)c1csc(Cc2cccc(F)c2)n1)Nc1ccc([N+](=O)[O-])cc1Cl 780184200 JKTLLPPRCGPPIE-UHFFFAOYSA-N 449.847 4.230 5 20 IIBD CC(C)n1cc2c(n1)[C@@H](Nc1ccc(S(=O)(=O)N3CCCCC3)cc1[N+](=O)[O-])CCC2 780398975 UIBFUYPEDNXSHE-IBGZPJMESA-N 447.561 4.036 5 20 IIBD CC(C)c1ccc(CCNC(=O)COC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 781259663 IEFYPEPNDUQGLW-UHFFFAOYSA-N 442.515 4.320 5 20 IIBD C[C@H](NC(=O)COC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccccc1Cl 781679168 XQZYBCLKDSYDSX-JTQLQIEISA-N 441.665 4.045 5 20 IIBD COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2Br)cc1N1CCCCC1=O 782165719 ABDUVLIULSFZAQ-UHFFFAOYSA-N 448.273 4.135 5 20 IIBD C[C@@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1noc(-c2ccccc2)n1 784086064 YXEFJXPFKSMWCJ-LLVKDONJSA-N 432.230 4.254 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)OCc1ccn(-c2ccc(Cl)cc2)n1 786780873 CXQFGUVUXZUTPD-UHFFFAOYSA-N 438.827 4.104 5 20 IIBD CCOC(=O)c1oc2ccccc2c1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790628514 AMWVXVJEVWQXRG-UHFFFAOYSA-N 434.807 4.169 5 20 IIBD O=C(COC(=O)Cc1cccc(C(F)F)c1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 790704746 JBPHTFKIMRGSSW-UHFFFAOYSA-N 432.301 4.276 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@@H](c1cncc(Br)c1)C1CC1 790775755 BPULISHNLACHHW-MRXNPFEDSA-N 439.697 4.356 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)c(C)c1[N+](=O)[O-] 790824724 RXCSGIKGVOYLSU-UHFFFAOYSA-N 437.817 4.089 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cnc(Br)c(Cl)c1 791034908 MBVHXBZOPLIFDB-UHFFFAOYSA-N 438.587 4.355 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791245495 QXUDPDCXJLXYCE-UHFFFAOYSA-N 440.637 4.117 5 20 IIBD COC(=O)c1cc(NC(=S)Nc2cccc(OC(F)(F)F)c2)c(C)c([N+](=O)[O-])c1 792685254 JUKLFXGKDHKFOG-UHFFFAOYSA-N 429.376 4.397 5 20 IIBD CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]12 792870083 HLMBYFTWGQXVQT-TYIJSKFUSA-N 432.521 4.187 5 20 IIBD CO[C@@H]1CCC[C@@H](CC(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)C1 793119414 XRTYKJVVISGKGX-YFVAEKQCSA-N 432.517 4.118 5 20 IIBD CCCc1[nH]nc(C(=O)O[C@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)c1[N+](=O)[O-] 796264875 DPVFNZBHNFGEPP-INIZCTEOSA-N 442.394 4.109 5 20 IIBD COc1cc(N2CCC(OC(=O)CCc3cnc4ccccc4c3)CC2)ccc1[N+](=O)[O-] 796728498 WNMANDMAUZDVKV-UHFFFAOYSA-N 435.480 4.296 5 20 IIBD O=C(c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O)N(Cc1ccc(F)cc1F)C1CC1 798279681 SBEJFJGTGZYJGW-UHFFFAOYSA-N 448.813 4.223 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)OCc2cccc(-c3ccccn3)c2)ccc1[N+](=O)[O-] 800977251 XRPKNFVGNOOASF-QHCPKHFHSA-N 445.475 4.313 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCc1nc2cc(Br)ccc2o1 803410865 YLEIXKJTWXJGQG-UHFFFAOYSA-N 430.214 4.266 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N(Cc1ccccc1)C[C@H](O)c1ccccc1 804405499 BNKQKKSZMAPYDP-DEOSSOPVSA-N 442.475 4.157 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 805196467 XFPCFEMSJZNATH-QFIPXVFZSA-N 428.920 4.056 5 20 IIBD COCCCOc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2Br)cc1OC 807681715 MDLDOLJVGWIORA-UHFFFAOYSA-N 439.262 4.034 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1noc([C@H]2Cc3cc(Br)ccc3O2)n1 809389041 NVYOSFROOXVQNE-MRXNPFEDSA-N 431.246 4.071 5 20 IIBD O=C(NC1CCCCC1)NC1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 809956383 LSVBKRVDTIWOBL-UHFFFAOYSA-N 429.348 4.498 5 20 IIBD O=C(NCCc1ccc(OCC(F)(F)F)nc1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813189187 BFHDGAZGTWQESH-UHFFFAOYSA-N 438.189 4.210 5 20 IIBD O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCc2c(ncn2-c2ccc(F)cc2)C1 813513190 JNXWUNJVGXWDFS-UHFFFAOYSA-N 435.242 4.425 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 816998255 HPJXCXJJMZSPJP-YOEHRIQHSA-N 435.546 4.178 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C2)C1 817649410 BCXLXGBYJFKTBS-MOPGFXCFSA-N 431.533 4.023 5 20 IIBD Cc1nc(NC(=O)[C@@H](C)OC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)sc1C 826130772 MCHIGBZROXTSMK-CQSZACIVSA-N 446.529 4.088 5 20 IIBD CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1ccc(C)c([N+](=O)[O-])c1 864036738 ZLBVTHUFIDUWBD-UHFFFAOYSA-N 433.530 4.089 5 20 IIBD O=C(OCCN1CCCC1=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 912708968 RMSYAFOYFPBXBK-UHFFFAOYSA-N 443.506 4.135 5 20 IIBD CCOc1ccc(N2C(=O)/C(=C\NNc3cccc([N+](=O)[O-])c3)c3ccccc3C2=O)cc1 912744891 MVWGLMCIQMXFIL-JCMHNJIXSA-N 444.447 4.138 5 20 IIBD O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 913117134 XRIPUXLXCPHMDL-VIFPVBQESA-N 445.756 4.398 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 915442508 LUCKZVIAPVMJFF-UHFFFAOYSA-N 427.240 4.161 5 20 IIBD CC(C)[C@H](OC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(=O)Nc1ccccc1Cl 915511222 CEOIIPMSVKVRSK-IBGZPJMESA-N 442.859 4.254 5 20 IIBD C[C@H](OC(=O)CCSC(F)(F)F)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 919273754 MMRCKPPDFNCRHN-VIFPVBQESA-N 449.432 4.232 5 20 IIBD O=C(Nc1cccnc1)c1ccc(OC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 921009550 ASDLRIAJMKFVFZ-UHFFFAOYSA-N 432.436 4.062 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N1CCc2nc[nH]c2C1 929080624 LQPIMAXHESUIGX-WJDWOHSUSA-N 445.504 4.443 5 20 IIBD CC1CCN(c2ccc(-c3nnc(COc4ccccc4[N+](=O)[O-])o3)cc2[N+](=O)[O-])CC1 1261834068 VMRFFWSIITYAAK-UHFFFAOYSA-N 439.428 4.368 5 20 IIBD O=C(COC(=O)c1csc(Cc2ccc(Cl)cc2)n1)Nc1ccc(F)c([N+](=O)[O-])c1 1317846133 KIPXBFNSTOSBII-UHFFFAOYSA-N 449.847 4.230 5 20 IIBD Cc1csc(-c2nnc(COc3ccccc3[N+](=O)[O-])o2)c1I 1322428627 BKQBZJLRBYXEHZ-UHFFFAOYSA-N 443.222 4.198 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1 1322924718 XJRYZKAYTITBNB-UHFFFAOYSA-N 428.492 4.164 5 20 IIBD Cn1cnnc1Sc1ccc(-c2nnc(-c3cn(C)c4ccccc34)o2)cc1[N+](=O)[O-] 1328545469 FMLRQCZPIPJSDP-UHFFFAOYSA-N 433.453 4.083 5 20 IIBD O=C(Cc1cc(F)ccc1[N+](=O)[O-])NC1(c2ccc(NC(=O)c3ccco3)cc2)CCC1 1787271596 FHEARIZRAQYGPR-UHFFFAOYSA-N 437.427 4.317 5 20 IIBD Cc1cc(CCCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=CCCC2)c([N+](=O)[O-])cc1F 1795420926 DAKNPWGLDFNVBC-ACDBMABISA-N 443.519 4.114 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(C2CC2)cc1 1800524056 UYYSOEYURBRVDO-WKCHPHFGSA-N 437.471 4.177 5 20 IIBD Cc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccccc3)n[nH]2)cc1[N+](=O)[O-] 1820403648 FNDXDUFVPXJHET-HXUWFJFHSA-N 447.495 4.175 5 20 IIBD CCC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(F)c3[N+](=O)[O-])n[nH]2)CCC1 1821169932 MVTGYMJQJOBFBK-QGZVFWFLSA-N 443.479 4.343 5 20 IIBD Cc1cccc(C)c1C(=O)N1CCCC12CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1C)C2 1845417760 XUINVZZGAJATLT-UHFFFAOYSA-N 441.915 4.304 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(-c2c[nH]c3ccccc23)o1 11346777 WBFMDFMTURKNNU-NSHDSACASA-N 439.453 4.254 5 20 IIBD CC(=O)c1ccc(NC(=S)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 18146108 IZZAEBABLLHTMH-UHFFFAOYSA-N 426.420 4.215 5 20 IIBD C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 21683258 CRAXYOOZRSEODB-LBPRGKRZSA-N 427.461 4.311 5 20 IIBD COc1ccc(NC(=O)CCSc2nnc(Nc3cccc(F)c3)s2)c([N+](=O)[O-])c1 26409494 KUNFQNNVDCETJE-UHFFFAOYSA-N 449.489 4.459 5 20 IIBD COC(=O)c1cc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc([N+](=O)[O-])c1 58481787 FAGWTOAXCFBQDV-UHFFFAOYSA-N 437.433 4.181 5 20 IIBD COc1ccc(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])cc1OCc1ccncc1 60462687 ABNQCKXZYHFBEF-UHFFFAOYSA-N 437.452 4.293 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 65087305 SFANBHGFMXMILK-GOSISDBHSA-N 437.477 4.467 5 20 IIBD O=[N+]([O-])c1ccc(NCc2ccc(F)cc2C(F)(F)F)c(S(=O)(=O)N2CCCC2)c1 71954286 RRRKSHMBCSLYKN-UHFFFAOYSA-N 447.410 4.149 5 20 IIBD Cc1ccc([C@@H](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)N2CCCC2)o1 116593228 OVQWBDDVBZLBHC-HSZRJFAPSA-N 429.520 4.009 5 20 IIBD COc1ccc(NC(=O)c2cc(Br)sc2Br)cc1[N+](=O)[O-] 227981018 ZJBJWPVDMHATOD-UHFFFAOYSA-N 436.081 4.442 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)cc1Cl 301657910 IINQHYWJAZOHEE-KRWDZBQOSA-N 429.231 4.405 5 20 IIBD COc1ccc(OCCSc2nnc(Cc3cccs3)n2C2CC2)c([N+](=O)[O-])c1 303883469 JHUUWAOOPSQFER-UHFFFAOYSA-N 432.527 4.353 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCc2cc(Br)ccc21 431442338 ARUFGFQBCRBUPN-UHFFFAOYSA-N 426.064 4.323 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 431662159 SKIDYQBDVOTLAB-UHFFFAOYSA-N 448.907 4.128 5 20 IIBD CC(C)c1[nH]nc(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)c(Cl)c2)c1[N+](=O)[O-] 434229056 QROFKQIFNGPOBO-GFCCVEGCSA-N 433.896 4.362 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 438315972 DZZXCMKGIOSFKJ-MQMHXKEQSA-N 433.390 4.235 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N[C@H]2CC[C@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] 438673209 MIVUBMCPISGIFG-AEFFLSMTSA-N 437.525 4.016 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CCC[C@H]3CC(=O)c3ccccc3)cc2)c(C)c1[N+](=O)[O-] 443833389 GUPLTZKEDOXQSZ-QFIPXVFZSA-N 446.507 4.334 5 20 IIBD O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444634235 XZGISPNKCHFKSZ-UHFFFAOYSA-N 428.448 4.417 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 444726850 IZHBVPWDNBUHMN-UHFFFAOYSA-N 428.448 4.222 5 20 IIBD CCOc1ccccc1NC(=O)Cc1noc([C@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 445350074 LKGSEIZXWDDUKF-ZDUSSCGKSA-N 428.470 4.411 5 20 IIBD CN(c1cccc(OC(F)(F)F)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 446990397 JZIUESPTGGTINC-UHFFFAOYSA-N 444.309 4.337 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCC(OC[C@@H]2CCCCO2)CC1 447682181 WFZFUVOWGXGCNF-ZDUSSCGKSA-N 439.381 4.198 5 20 IIBD O=C(Cc1noc(CSc2ccc([N+](=O)[O-])cc2)n1)Nc1cccc(C(F)(F)F)c1 460145934 BUVNARBMJOIUIN-UHFFFAOYSA-N 438.387 4.470 5 20 IIBD CC(C)CC(=O)Nc1ccc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)cc1F 460171304 JZNPTHCDQPKTRD-UHFFFAOYSA-N 425.420 4.157 5 20 IIBD COc1cc(C(=O)NCCc2ccccc2[N+](=O)[O-])cc(OC)c1OCc1ccccc1 460506271 CSGBZQWOTNHAGP-UHFFFAOYSA-N 436.464 4.164 5 20 IIBD Cc1c(NCc2cc([N+](=O)[O-])ccc2OC(C)C)cccc1S(=O)(=O)NC(C)(C)C 462243203 XUAUUUZZYKGNCO-UHFFFAOYSA-N 435.546 4.379 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1 462488788 JBFUTLLCCFEBMD-AVRDEDQJSA-N 445.947 4.007 5 20 IIBD Cc1ccc(C(=O)N2CCC(Nc3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)CC2)cc1 462509466 JDSLXPGRZPRVHT-UHFFFAOYSA-N 446.507 4.594 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 462753879 JPZOWDZNDKVWLH-CVDCTZTESA-N 425.529 4.125 5 20 IIBD COc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 463305333 YGPICPSCLDNQKG-UHFFFAOYSA-N 436.386 4.357 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 463549242 XVVALJPSTHBFCJ-UHFFFAOYSA-N 445.838 4.173 5 20 IIBD CCCN(C)C[C@@H]1CCN(C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)C1 464559258 FPPMSZSPEIKYLY-HNNXBMFYSA-N 434.587 4.315 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCN([C@H](C)c3nccs3)CC2)cc1OC 464593830 OXZXMUAUJKISHG-IAGOWNOFSA-N 448.589 4.364 5 20 IIBD CCN(CC)[C@@H]1CCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 464778799 WDQKBXFFCVPFIJ-NQIIRXRSSA-N 430.936 4.344 5 20 IIBD O=C(Nc1cccn(CC(F)(F)F)c1=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 465129692 FXSHSTSQZYHVES-UHFFFAOYSA-N 432.358 4.315 5 20 IIBD COc1ccc(S(=O)(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1Cl 466513990 JUFMQCBUOSCCFF-UHFFFAOYSA-N 425.677 4.042 5 20 IIBD CC(=O)N1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CC1 466614818 YCVNPLPWEBTSOG-UHFFFAOYSA-N 433.917 4.094 5 20 IIBD CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc(C(F)(F)F)cs1 466870719 NRUGFRLURSZQMN-VIFPVBQESA-N 429.829 4.153 5 20 IIBD CN(CC[C@@H]1CCCO1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 467033606 KTSUFNWBAQZZOH-QFIPXVFZSA-N 434.496 4.018 5 20 IIBD C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 468902661 KOZAHARDVMMZJU-GFCCVEGCSA-N 449.385 4.100 5 20 IIBD CN(Cc1ccccc1NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1 469080429 QNEDBAAYEDHQIJ-UHFFFAOYSA-N 433.464 4.184 5 20 IIBD O=C(Nc1ccc(OC(F)F)c2ncccc12)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 470335482 FKFPZODKJIWZRX-UHFFFAOYSA-N 430.367 4.040 5 20 IIBD Cc1cc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(Br)s1 472031198 ACLNMNGHHLMESS-UHFFFAOYSA-N 425.304 4.411 5 20 IIBD Cc1nc(CN(C)[C@@H]2CCCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)no1 475630326 ZLBHKZDGSHCJBZ-GOSISDBHSA-N 425.489 4.033 5 20 IIBD CCCCN1C(=O)C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H]1c1ccc(OC)cc1 481715868 YRQWFPQABMPNRO-GCJKJVERSA-N 425.485 4.240 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H](C)c2cnn(C)c2C)cc1[N+](=O)[O-] 484253660 KBYQBTFEFBPCKQ-ZDUSSCGKSA-N 438.509 4.081 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2)cn1 488393930 HCDSTGYCUQTZIT-UHFFFAOYSA-N 435.845 4.245 5 20 IIBD Cc1ccc(NCCCNC(=O)Nc2ccc(C)c(C(=O)N(C)C(C)C)c2)c([N+](=O)[O-])c1 489122212 JAKWZNYBASOFDU-UHFFFAOYSA-N 441.532 4.316 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2cc(C)ccc2OC)nnc1-c1ccc([N+](=O)[O-])cc1 489462973 ZAVFDRPOKDANIE-CQSZACIVSA-N 441.513 4.310 5 20 IIBD COC(=O)c1cc(NC(=O)c2c(C)nc(-c3ccco3)nc2SC)c(C)c([N+](=O)[O-])c1 489769295 RREYRJDBGVCLDJ-UHFFFAOYSA-N 442.453 4.022 5 20 IIBD COc1cc(CNCC[C@@]2(O)C[C@H]3CC[C@H]2C3)c([N+](=O)[O-])cc1OCc1ccccc1 491585786 HGPKVWOFIZWLJG-VAXXYWNWSA-N 426.513 4.213 5 20 IIBD COc1cc(N[C@H]2CCCN(C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2)cc(OC)c1 494447094 QDBFBDMGTMHCQQ-AEFFLSMTSA-N 442.516 4.268 5 20 IIBD CC(C)(CNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1c(Cl)cccc1Cl 494885210 FLZCJSUFSFUAEJ-UHFFFAOYSA-N 440.331 4.422 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 498128927 WWIBBGKEPQZDIY-UHFFFAOYSA-N 441.919 4.152 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)C1CCN(Cc2ccccc2)CC1 499378435 QLLMMFCURIMBEX-INIZCTEOSA-N 431.920 4.139 5 20 IIBD C[C@H](NC1(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCOCC1)c1ccccc1 500471097 YIIXDVSMEYGOFX-INIZCTEOSA-N 439.537 4.439 5 20 IIBD Cc1ncc(CSc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])s1 500855924 ABVWZPKDOOCSKW-UHFFFAOYSA-N 427.573 4.217 5 20 IIBD CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](c1ccc(Cl)cc1)c1cnccn1 501059685 ODSJTFFRAFSUFK-OAQYLSRUSA-N 425.876 4.088 5 20 IIBD O=C(N[C@H](c1ccccc1)c1cccc(Cl)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 501411079 HVWQMRPEGLGJPP-OAQYLSRUSA-N 433.855 4.348 5 20 IIBD CCOc1ccc([C@H](C)NCC2(c3ccc4c(c3)OCO4)CCOCC2)cc1[N+](=O)[O-] 504927190 NQFBIXMWGDYFFY-INIZCTEOSA-N 428.485 4.121 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1CCN(Cc2nc(C)c(C)o2)CC1 506483612 CMADIYYSIZBWIE-UHFFFAOYSA-N 446.573 4.344 5 20 IIBD COc1cc(Oc2ccccc2)ccc1NC(=O)C(=O)N(C)CCc1ccccc1[N+](=O)[O-] 506740567 AJGHGFFFHJCNGW-UHFFFAOYSA-N 449.463 4.035 5 20 IIBD COc1ccccc1-c1nc(C[S@](=O)CCC(=O)Nc2ccccc2[N+](=O)[O-])cs1 507698247 OKHCYLVKCUXWOD-SSEXGKCCSA-N 445.522 4.004 5 20 IIBD COc1ccc(CN(c2ccncc2)S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc1 508354274 IAQPVYZGLAYGEV-UHFFFAOYSA-N 427.482 4.011 5 20 IIBD CCSc1ccc([C@@H](C)NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 510227095 HEDSFCXDDNHRQM-LLVKDONJSA-N 439.440 4.124 5 20 IIBD Cc1cc(C)n(-c2ccc(CCNC(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)cc2)n1 510859589 FAIDCBOEIVCDGA-UHFFFAOYSA-N 445.426 4.363 5 20 IIBD COc1cc(S(=O)(=O)Nc2ccc(SCc3ccccc3)cn2)ccc1[N+](=O)[O-] 513784528 SYUHCDRLNLOBKZ-UHFFFAOYSA-N 431.495 4.092 5 20 IIBD CCc1cccc(Oc2ccc(NS(=O)(=O)c3ccc(OC)cc3[N+](=O)[O-])cn2)c1 515633279 WNSNSDDTYYHBIT-UHFFFAOYSA-N 429.454 4.154 5 20 IIBD CCn1c(SCC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1 515681985 UMDATHLLWMHHNM-ZDUSSCGKSA-N 445.932 4.496 5 20 IIBD CC(C)(C)c1ccc(-c2cc(NC(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)on2)cc1 516116483 VWNGDBKPRMKJFB-UHFFFAOYSA-N 443.481 4.203 5 20 IIBD Cc1cccnc1OC1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC1 517594821 ISRIVORKIBZBNE-UHFFFAOYSA-N 432.349 4.395 5 20 IIBD C[C@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])Sc1ccc(Br)cc1 518844901 ZSIRHQOSYJWOBG-LLVKDONJSA-N 445.360 4.354 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@H](c3ccccc3)C[C@H]2OC)cc1SC 519784419 SOXSFJSCPABUGR-KVSKMBFKSA-N 430.526 4.406 5 20 IIBD COc1cc(CCNC(=O)Nc2ncc(-c3ccccc3)s2)c([N+](=O)[O-])cc1OC 519958304 UHKCNRCGZGFUJS-UHFFFAOYSA-N 428.470 4.100 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)NC[C@H](CO)Cc3cccnc3)cc2[N+](=O)[O-])cc1 520890213 KPFXICFABOBEFJ-GOSISDBHSA-N 437.521 4.030 5 20 IIBD COc1cc(C(=O)NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)c([N+](=O)[O-])cc1OC 521851082 LWCDFLOVPUUGIY-KRWDZBQOSA-N 447.919 4.050 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)C1CC(c2cccc(F)c2)C1)c1ccccc1[N+](=O)[O-] 522904629 PTZIDFBEAPGTSH-LBXVMSDZSA-N 428.460 4.427 5 20 IIBD C[C@H](Nc1ccc(NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 524140599 HGUPXMHBEYRUGD-KRWDZBQOSA-N 447.495 4.206 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)cc1[N+](=O)[O-] 524450461 FIJWRUKDRITQFQ-UHFFFAOYSA-N 442.931 4.360 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(C)c(OCC3CCOCC3)c2)cc1C 524964283 YZXWICBULKXMBL-UHFFFAOYSA-N 434.514 4.126 5 20 IIBD Cc1cccc(COc2ccc(NC(=O)C(=O)NCCc3cccc([N+](=O)[O-])c3)c(C)c2)c1 536210020 NVYSNWYOPHQUDT-UHFFFAOYSA-N 447.491 4.088 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 536292550 UEZAJPNTEWETGK-ACJLOTCBSA-N 438.452 4.277 5 20 IIBD CN(C(=O)c1ccc(CN2CCCC2=O)cc1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 537151173 QVXGOZPNRWJSCF-UHFFFAOYSA-N 436.493 4.117 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 537271786 VKOHYZKVAVWOBM-VLIAUNLRSA-N 435.883 4.209 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCCOC1CCN(Cc2ccccc2)CC1 537675076 JZDDNKCXPZPHEO-UHFFFAOYSA-N 439.556 4.321 5 20 IIBD Cc1c(Br)cc(C(=O)N(C)c2ncccc2Br)cc1[N+](=O)[O-] 541315429 FRCOQGJKWIOYTC-UHFFFAOYSA-N 429.068 4.100 5 20 IIBD O=C(NCCCc1nc(-c2ccc(F)cc2)no1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 543376673 SQLAXOUTNDZRFM-UHFFFAOYSA-N 439.447 4.091 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC[C@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1 544715115 YWHAQOFMQJQLES-IBGZPJMESA-N 446.916 4.305 5 20 IIBD CC(C)CCSc1ccc(-c2nc(Cc3cccc(C(N)=O)c3)no2)cc1[N+](=O)[O-] 545643331 HQTKUEMGEPZHQQ-UHFFFAOYSA-N 426.498 4.473 5 20 IIBD CC[C@@H](c1ccccc1OC)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br 554308601 BAKHILBDOLCGSG-KRWDZBQOSA-N 436.306 4.388 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cccc(-c3ncco3)c2C)ccc1[N+](=O)[O-] 557358086 CCOYVHKUQHFKNJ-HXUWFJFHSA-N 434.452 4.110 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1cccc(COCc2ccccc2)c1 562128564 UTLZAWDTBBIRKU-UHFFFAOYSA-N 447.491 4.129 5 20 IIBD CSCC[C@H](NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)N(C)C 565622445 XYXRDRGOUOLTGL-KRWDZBQOSA-N 437.949 4.340 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 567417696 RZHRTWDKJWUQOB-LJQANCHMSA-N 440.443 4.224 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](Cc1ccccc1)c1ccccc1F 573411394 HOEJQAQQEIZZBT-JOCHJYFZSA-N 435.455 4.335 5 20 IIBD Cc1cc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)nn1-c1ccc(F)cc1F 577022025 LOHFUVFHOXHIBJ-UHFFFAOYSA-N 429.427 4.810 5 20 IIBD COc1cc(Cc2noc(Cc3csc(-c4ccccc4)n3)n2)c([N+](=O)[O-])c(OC)c1 582465767 HREGTNHTGMBBSS-UHFFFAOYSA-N 438.465 4.300 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCc1ccncc1OC[C@@H]1CCOC1 584740696 HZQRXCDQLPMRFQ-LLVKDONJSA-N 448.348 4.066 5 20 IIBD CN1C(=O)c2cc(Br)ccc2N[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 602756323 KHCSQYYISNHADZ-SFHVURJKSA-N 427.258 4.344 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)CCNc1ccccc1[N+](=O)[O-] 603921670 DQGOYOLGXDJVON-UHFFFAOYSA-N 425.464 4.017 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccnn1Cc1ccc(Br)cc1 603950559 UYIPJCAJIPQPII-UHFFFAOYSA-N 445.273 4.010 5 20 IIBD COCCN(C(=O)[C@@H](C)c1c(C)noc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 604547315 FEHVXSOLDJYKCP-LBPRGKRZSA-N 430.486 4.106 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(C)c(OCC(F)F)c2)cc1[N+](=O)[O-] 608851237 WNHDTAVQGQOSHT-UHFFFAOYSA-N 426.441 4.428 5 20 IIBD COc1ccc(C(C)(C)C)cc1NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 609496141 CEGHSZWSFBBDOP-OAHLLOKOSA-N 431.514 4.206 5 20 IIBD Cc1cc(Br)ccc1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 609505454 AADKBWIKIXZGMP-NSHDSACASA-N 427.682 4.403 5 20 IIBD Cc1cc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc2)ccc1[N+](=O)[O-] 609674253 JYVWWHQOSIDRFG-UHFFFAOYSA-N 426.450 4.027 5 20 IIBD COC(=O)c1ccoc1CSc1ccccc1C(=O)N1CCc2c1cccc2[N+](=O)[O-] 609973428 NGDBFWWWMSHCHS-UHFFFAOYSA-N 438.461 4.470 5 20 IIBD Cc1cc(Br)ccc1CNC(=O)c1ccc([N+](=O)[O-])cc1Br 610045053 QXXMLCGCVZBJBQ-UHFFFAOYSA-N 428.080 4.358 5 20 IIBD CC(C)CCSc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1[N+](=O)[O-] 610177610 BYXSKQHFIMNHFL-APWZRJJASA-N 442.603 4.161 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N[C@@H]3CCN(C(=O)C4CCCC4)C3)c([N+](=O)[O-])c2)cc1 610770517 FKYAXJLSUXFSHU-HXUWFJFHSA-N 436.512 4.359 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 725812345 CHWLDRCFSLRHJC-RHSMWYFYSA-N 431.493 4.037 5 20 IIBD C[C@H](OC(=O)[C@H](C)Oc1ccccc1C(F)(F)F)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 727204704 IFFIGIFFHTWCNW-QWRGUYRKSA-N 444.337 4.090 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 727711884 OBMSIDCPSKAYDK-UHFFFAOYSA-N 435.823 4.297 5 20 IIBD Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)cc1 728521395 DFOPMYXSXNWIBW-HNNXBMFYSA-N 430.892 4.231 5 20 IIBD CCCNC(=O)[C@H](C)OC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 728949758 YFHZAVIMFUXHKF-LBPRGKRZSA-N 445.522 4.427 5 20 IIBD Cc1cc(=O)c(C(=O)O[C@@H](C)c2cccc([N+](=O)[O-])c2)nn1-c1ccccc1C(F)(F)F 729674203 FYBHPZZCHZDTQP-ZDUSSCGKSA-N 447.369 4.386 5 20 IIBD CC[C@@H](c1ccccc1)c1nnc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)s1 730201543 CILDJPFXMZVHNX-AWEZNQCLSA-N 427.442 4.457 5 20 IIBD O=C(OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 730615231 WJCPDTVJUXXIIX-HOTGVXAUSA-N 435.263 4.138 5 20 IIBD Cc1cc(C(=O)OCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc(C)c1OC(F)F 730922854 LZHAYYRIGLFEHB-UHFFFAOYSA-N 442.802 4.053 5 20 IIBD Cn1cc(C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c(-c2ccccc2Cl)n1 731260281 JSYCIZJCAFSIQY-UHFFFAOYSA-N 439.815 4.056 5 20 IIBD O=C(NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1nc(-c2ccccc2)oc1-c1ccccc1 731409340 KQTAPKLHEMUOLP-UHFFFAOYSA-N 449.444 4.036 5 20 IIBD CCCCN(C)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 731990206 CFLOGLHQYXWYCH-KRWDZBQOSA-N 430.530 4.136 5 20 IIBD Nc1ccc(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)cc1[N+](=O)[O-] 732146468 KCXJVYRAXGMJRM-UHFFFAOYSA-N 449.442 4.159 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCCC1 732474535 FHXZGLLPCUBYPI-GOSISDBHSA-N 434.537 4.210 5 20 IIBD COc1ccc(NC(=O)OC(C)(C)C)c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 732524442 CWPDZQHEISYONH-UHFFFAOYSA-N 437.474 4.060 5 20 IIBD Cc1ncc(/C=C\C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)s1 732866710 QGPMLRTUGJUVEW-JMEBYUIHSA-N 444.494 4.067 5 20 IIBD O=[N+]([O-])c1ccc2nc(Sc3ccc(CN[C@H](CO)C4CC4)cc3[N+](=O)[O-])sc2c1 734163723 HBMNSNNMRAKXQJ-OAHLLOKOSA-N 446.510 4.124 5 20 IIBD O=C(c1cc2occc2s1)N1CCN(Cn2c(=S)oc3ccc([N+](=O)[O-])cc32)CC1 741244288 CUSVBBZOUPDIHR-UHFFFAOYSA-N 444.494 4.095 5 20 IIBD O=C(NC1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)Oc1ccccc1 742623695 LLKUVAOCJCNGKJ-UHFFFAOYSA-N 437.374 4.007 5 20 IIBD CC(C)C(=O)Nc1ccc(Cl)c(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 745186943 QQZSCOOANKYCLG-LBPRGKRZSA-N 433.848 4.027 5 20 IIBD O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(Br)cc1[N+](=O)[O-] 750826282 UQEQRKBQKIZAIL-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCCCC[C@H]1C[C@H](O)c1cccs1 750837706 NQJDNRIXFKXNKG-LPHOPBHVSA-N 445.541 4.323 5 20 IIBD Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 752755729 YBPXBEAIGKYHMN-UHFFFAOYSA-N 427.844 4.150 5 20 IIBD Cc1c(Br)cc(C(=O)O[C@H](C)C(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-] 753427821 CRGCIQMJKMGUJD-SECBINFHSA-N 428.185 4.372 5 20 IIBD C[C@H](C(=O)OCC(=O)N1CC[C@@H](C)Sc2ccccc21)c1ccc([N+](=O)[O-])cc1F 755063159 IOGNJYXWCLNORB-KGLIPLIRSA-N 432.473 4.298 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H](C)CSc2ccc(F)cc2)c([N+](=O)[O-])c1 756713311 FBEBOVLGWSMAAC-QWHCGFSZSA-N 436.461 4.041 5 20 IIBD COc1ccc(C(C)(C)C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC 757663848 DHKHTAQKWSQERQ-UHFFFAOYSA-N 426.425 4.288 5 20 IIBD COc1ccccc1N(C(C)=O)c1nc(COC(=O)c2ccc(F)cc2[N+](=O)[O-])cs1 758114367 LRFYFKNPWVNHBS-UHFFFAOYSA-N 445.428 4.241 5 20 IIBD O=C(O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 759940293 DSSJHFGLWPVMHA-CVEARBPZSA-N 443.441 4.164 5 20 IIBD Cn1c(S[C@@H]2CCCN(Cc3ccccc3)C2=O)nc2cc3ccccc3cc2c1=O 760308727 NSKCTONXJIYRON-JOCHJYFZSA-N 429.545 4.370 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 765496498 PPQORVGEQPMBBA-AEFFLSMTSA-N 433.549 4.315 5 20 IIBD O=C(NC[C@H](Cc1ccc2ccccc2c1)C(=O)O)c1cc([N+](=O)[O-])ccc1N1CCCC1 767174780 PYGDOYRJQLBGMF-FQEVSTJZSA-N 447.491 4.022 5 20 IIBD O=C(OCCOc1ccc(C(F)(F)F)cc1)c1cc(Br)ncc1[N+](=O)[O-] 769838595 ICROKWLYEAUSBB-UHFFFAOYSA-N 435.152 4.007 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccc(Cl)cc1C(F)(F)F 770498019 MODDFBFBQVWZLP-VIFPVBQESA-N 446.765 4.460 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)/C=C\c1nc2ccccc2s1)c1ccccc1[N+](=O)[O-] 771582492 SMOIAQGSBPFHNM-CPFIRTDXSA-N 439.493 4.417 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(NC[C@H](CO)Cc3ccccc3C(F)(F)F)CC2)cc1 773078509 HDIZCFQHMNLTHJ-MRXNPFEDSA-N 437.462 4.023 5 20 IIBD O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)c1ncccc1OCC(F)(F)F 773445034 VNPPZMOXKLZJCV-UHFFFAOYSA-N 435.152 4.050 5 20 IIBD C[C@@H](OC(=O)c1ccccc1OC(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 775109130 JFAHJCMXOBWQDG-SECBINFHSA-N 432.738 4.331 5 20 IIBD CCN(CC)C(=O)c1ccc(C(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])cc1 776133463 LINQYCNUPJMBOJ-QFIPXVFZSA-N 433.464 4.418 5 20 IIBD O=C(O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1ccc(OC2CCOCC2)cc1 776135408 RHXMFEONWJKXAF-HSZRJFAPSA-N 434.448 4.494 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)N1CCC[C@@H]1c1cccs1 778890417 HMVWVWGTYQGEDP-BXUZGUMPSA-N 440.424 4.167 5 20 IIBD O=C(OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1c2c(nc3ccccc13)CCC2 780360163 AQZJLEUQIQQHED-MRXNPFEDSA-N 445.475 4.093 5 20 IIBD O=C(COC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)Nc1cccc(Cl)c1 781257621 LLCXPCATJUXBKR-UHFFFAOYSA-N 442.805 4.408 5 20 IIBD C[C@@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(OCC2CC2)c(F)c1 781701274 QTKMPPPPIJZZOD-CYBMUJFWSA-N 431.420 4.241 5 20 IIBD O=C(C[C@@H]1CCCCCN1C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 782003173 XTRXINWUNNCFBZ-IBGZPJMESA-N 439.468 4.480 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CC=C(c2c[nH]c3ncccc23)CC1 782164763 UVOATPNGFYWCSM-UHFFFAOYSA-N 427.258 4.163 5 20 IIBD C[C@H]1CCc2c(sc3nc(CCC(=O)OCc4ccc([N+](=O)[O-])c(F)c4)nc(O)c23)C1 782501775 ILSZNQATSYAUTA-NSHDSACASA-N 445.472 4.245 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N[C@H](Cc1ccccc1)c1cccs1 783327952 ALXZTBOAPWRQJV-QGZVFWFLSA-N 429.885 4.348 5 20 IIBD NC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)Sc1nc2ccc([N+](=O)[O-])cc2s1 783882776 DMXPAWABGHFEQE-CQSZACIVSA-N 427.429 4.412 5 20 IIBD C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N2CCOC2=O)cc1 783938458 LVWBNPKTCFGTBK-GFCCVEGCSA-N 435.889 4.174 5 20 IIBD Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Br 784200333 SAQYCPJHZMDIIC-UHFFFAOYSA-N 432.274 4.058 5 20 IIBD CC(C)c1ccc(C(=O)OCc2csc(-c3ccc(C(N)=O)cc3)n2)cc1[N+](=O)[O-] 784256597 KBXNBHRKYVLJFH-UHFFFAOYSA-N 425.466 4.298 5 20 IIBD COc1cc(Br)c(C(=O)COc2cc([N+](=O)[O-])ccc2Cl)cc1OC 785448577 LQCSDBQPURTNET-UHFFFAOYSA-N 430.638 4.290 5 20 IIBD COCCCn1c(C)cc(C(=O)COc2cc([N+](=O)[O-])ccc2Br)c1C 786746676 ZBLLKGOKFVEQGJ-UHFFFAOYSA-N 425.279 4.074 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)OCc1ccc(OCc2cccnc2)cc1 786788330 PLBRXNRPOANCOV-UHFFFAOYSA-N 445.431 4.239 5 20 IIBD CC(C)(C)c1cc(CS(=O)(=O)Oc2ccc(Cc3ccccc3)cc2[N+](=O)[O-])no1 790226022 SECBSMZJSZHHIV-UHFFFAOYSA-N 430.482 4.380 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)N2CCN(C(=O)c3sc4ccccc4c3C)CC2)c1F 790549771 AJIQNKCKSYKOMB-UHFFFAOYSA-N 441.484 4.164 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)O[C@H](C)c2ccnn2C)cc1[N+](=O)[O-] 791935254 OAUBJDHDNXXFGT-CYBMUJFWSA-N 425.466 4.199 5 20 IIBD CCO[C@H](C)c1nc(CN(C)C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cs1 792998017 VBKYHSYZIKNQCU-CYBMUJFWSA-N 448.545 4.043 5 20 IIBD COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 795571653 KXUWRHORMHKHFL-UHFFFAOYSA-N 439.660 4.142 5 20 IIBD Cc1cc(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])ccc1I 798522347 KSIAPURKBMBGRP-UHFFFAOYSA-N 430.629 4.091 5 20 IIBD CCCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cc(Br)cnc1Cl 799822896 PUCFTOPBJXQBSF-UHFFFAOYSA-N 434.699 4.011 5 20 IIBD O=C1OCc2ccc(NC(=O)C3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)cc21 808460807 NGPSUMRZMYENIA-UHFFFAOYSA-N 449.385 4.139 5 20 IIBD CC(C)n1cc2c(n1)[C@@H](NCc1cc(I)cc([N+](=O)[O-])c1)CCC2 810151629 LXYILNRJIJINRE-INIZCTEOSA-N 440.285 4.144 5 20 IIBD C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 813879861 YNTIPVXPFZVVGX-FUHWJXTLSA-N 446.548 4.224 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Oc2ccc(Oc3cccnc3)cc2)c(C)c1[N+](=O)[O-] 815058488 FWJMPFZRBKTMIE-UHFFFAOYSA-N 445.409 4.075 5 20 IIBD CC(C)c1nnc(NC(=O)CCC(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)s1 815221075 UMMFQMZNGDCUCP-UHFFFAOYSA-N 446.407 4.051 5 20 IIBD COc1ccc(CCC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1Cl 818174216 KZGFXAFLVLDTCU-UHFFFAOYSA-N 427.240 4.025 5 20 IIBD C=C1c2ccccc2C(=O)N1CCC(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 824119136 COUNEHKKDDEXOY-UHFFFAOYSA-N 434.477 4.482 5 20 IIBD COc1ccc(N2C(=O)C3(CCCC3)N[C@@H]2c2c(C)ccc([N+](=O)[O-])c2C)cc1OC 877854081 OQVSPDPFZKYVEW-NRFANRHFSA-N 425.485 4.177 5 20 IIBD C[C@H](OC(=O)c1cc(F)cc(Br)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 915592061 KPTKWSXVCZDOCC-QMMMGPOBSA-N 445.628 4.334 5 20 IIBD COc1ccc(CNC(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)cc1[N+](=O)[O-] 917846233 MVPZBAMCATYZNI-UHFFFAOYSA-N 428.876 4.048 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)OCC2CCN(Cc3ccccc3)CC2)cc1OC 920136002 RZMWCWKNDGPNAL-UHFFFAOYSA-N 428.485 4.071 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 921275450 WANNGGVJYWVKLF-GOSISDBHSA-N 434.562 4.403 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCO[C@@H](c2ccc(Cl)s2)C1 1116168554 XMODGTBCCRTFQU-IINYFYTJSA-N 431.297 4.331 5 20 IIBD O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)NCc1ccccc1[N+](=O)[O-] 1122086591 KELPKZNYAFCDJW-UHFFFAOYSA-N 434.827 4.254 5 20 IIBD O=C(c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O)N1Cc2ccc([N+](=O)[O-])cc2C1 1253050043 XXJCNJAFUDZOBR-UHFFFAOYSA-N 427.819 4.193 5 20 IIBD Cc1ccc2c(c1)S[C@H](C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-])C2 1317741668 HWKZSXGFEKEMOK-XLIONFOSSA-N 428.510 4.119 5 20 IIBD CCc1ccc(-c2nc(C(=O)N3CCN(Cc4cccc([N+](=O)[O-])c4)CC3)cs2)cc1 1318131086 UYGRHNPKIQIDNN-UHFFFAOYSA-N 436.537 4.239 5 20 IIBD CCCc1ccc(CS(=O)(=O)Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1 1322536516 OKTZRDDBIKICJH-UHFFFAOYSA-N 429.441 4.272 5 20 IIBD CC(C)CC(=O)N1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 1322615905 ZOJNTOFULXOLRC-UHFFFAOYSA-N 427.526 4.077 5 20 IIBD O=C(c1cc(Br)cc(Br)c1)N1Cc2ccc([N+](=O)[O-])cc2C1 1337180857 ISXZHNHDTPXCQM-UHFFFAOYSA-N 426.064 4.276 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1)c1ccc(Cl)nc1 1785747233 JRQLNOHYXCTWPS-UHFFFAOYSA-N 440.843 4.298 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccns3)CCC2)cc1)c1cc(F)cc([N+](=O)[O-])c1 1790696742 QEVGMFWJYUNLES-UHFFFAOYSA-N 440.456 4.252 5 20 IIBD CC1(C(=O)NC2(c3ccc(NC(=O)c4nc5cc([N+](=O)[O-])ccc5[nH]4)cc3)CCC2)CCC1 1790824813 LWTLOYWCLASTIM-UHFFFAOYSA-N 447.495 4.409 5 20 IIBD CCO/C=C/C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3F)CCC2)cc1 1791739815 BJTDKGALBMJEMC-JLHYYAGUSA-N 427.432 4.032 5 20 IIBD Cc1occc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 1801207063 IUKUOWDPKOSEIV-MUJYYYPQSA-N 439.493 4.277 5 20 IIBD CC(C)(C)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2cc(F)ccc2[N+](=O)[O-])n[nH]1 1823486499 GTCVCNKTFBBOAO-GOSISDBHSA-N 445.495 4.128 5 20 IIBD C/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)CC1 1830734361 DYFXCNGDFZKSAB-MTGFJVSHSA-N 433.936 4.366 5 20 IIBD CCCn1c(SCC(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)nc2ccccc21 9249203 RDOAOACFZDBQHX-UHFFFAOYSA-N 443.481 4.057 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1c(-c2c(F)cccc2Cl)noc1C 11444398 HDFAYXZAYFNDSW-UHFFFAOYSA-N 447.806 4.455 5 20 IIBD O=C(OCc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 12335516 HASWBCJKGQRRQP-UHFFFAOYSA-N 436.386 4.209 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H]3CCCC[C@@H]3C)cc2)cc1[N+](=O)[O-] 21875686 MISVORFRGRFTOT-IFXJQAMLSA-N 431.514 4.013 5 20 IIBD Cn1c(SCC(=O)Nc2ccc(OC(F)F)cc2)nc2cc3ccccc3cc2c1=O 22253115 CSWBUCNIOCDHRX-UHFFFAOYSA-N 441.459 4.419 5 20 IIBD Cc1c(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)nnn1-c1cccc([N+](=O)[O-])c1 31873480 ILMFDAVIWPUVEV-UHFFFAOYSA-N 439.435 4.280 5 20 IIBD O=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 33152694 GWXGRBQSUPNEQZ-UHFFFAOYSA-N 427.392 4.435 5 20 IIBD O=[N+]([O-])c1ccc(N[C@H]2CCSc3c(F)cccc32)c(S(=O)(=O)N2CCCC2)c1 57680839 OHXLTENPCYINHE-INIZCTEOSA-N 437.518 4.167 5 20 IIBD COC(=O)C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 58479913 DBQVVNUCZJZZIV-AWEZNQCLSA-N 446.765 4.181 5 20 IIBD O=C(Nc1cccc2c1CCCN2C(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 59921542 ZQWLOGZBXXUIMR-UHFFFAOYSA-N 449.438 4.344 5 20 IIBD CC(=O)N(c1ccccc1)c1nc(Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)cs1 60826542 BLWHVVZCEMINKH-UHFFFAOYSA-N 447.476 4.008 5 20 IIBD CCOCCOc1c(Cl)cccc1NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] 62930349 ZOEUTAZSNAICRJ-UHFFFAOYSA-N 428.894 4.081 5 20 IIBD CCCOc1ccc(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC 64908540 VCAVSIDKLVKDGM-UHFFFAOYSA-N 427.482 4.446 5 20 IIBD CN(Cc1ccccc1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C1CCCCC1 105563628 MBIRNRYNNKIWOR-UHFFFAOYSA-N 434.500 4.192 5 20 IIBD COc1cc(CCNC(=O)N[C@H](C)c2oc3ccccc3c2C)c([N+](=O)[O-])cc1OC 195548465 TUNVFVIARMFXBE-CQSZACIVSA-N 427.457 4.270 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cnn(-c2ccc(C)cc2)c1C(F)(F)F 195711556 FDNWBBMZKWICLM-UHFFFAOYSA-N 434.374 4.046 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNc3ccnn3C[C@H]3CCOC3)o2)c(Br)c1 236569686 YQFXLKQEYZZRQP-CYBMUJFWSA-N 447.289 4.462 5 20 IIBD C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] 301270211 NKVGDJKISSUKQT-VIFPVBQESA-N 437.827 4.112 5 20 IIBD CCc1cc(N2CCc3c(cccc3N3CCOC3=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 301471517 PJFUNGDIRBJMFV-UHFFFAOYSA-N 445.479 4.134 5 20 IIBD CCC1(CO)CCN(c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])CC1 301906557 QSQYBFNMVFVOID-UHFFFAOYSA-N 447.557 4.001 5 20 IIBD CS(=O)(=O)c1cccc(N2CCC(c3ccc(C(F)(F)F)cc3)CC2)c1[N+](=O)[O-] 301966909 YXWQTULZMCLDMW-UHFFFAOYSA-N 428.432 4.401 5 20 IIBD O=[N+]([O-])c1ccc(I)c(Oc2cnc3cc(F)c(F)cc3n2)c1 302494047 ASVIESJLQZFCIV-UHFFFAOYSA-N 429.120 4.213 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@H](COCc2ccccc2)C1 426278767 RFWTXLVAZQSOIM-INIZCTEOSA-N 437.418 4.362 5 20 IIBD CC(C)(CCCc1ccccc1)CNC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 435879585 KZCKSCIAEKRRMO-UHFFFAOYSA-N 437.496 4.027 5 20 IIBD CC[C@H](CNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1)Oc1ccccc1C(F)(F)F 439653988 WCOLMRKQOLWYAN-CYBMUJFWSA-N 442.390 4.218 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(OCC)c1OC(F)F 439879670 ZOVSPKFMBXKNOG-UHFFFAOYSA-N 425.388 4.315 5 20 IIBD O=C(Nc1cc(Cl)c(Cl)cc1F)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 439979945 OVJIEUCQPVPUDG-UHFFFAOYSA-N 441.246 4.031 5 20 IIBD O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1[C@@H](O)C(F)(F)F 442632965 GUVCCUWPSHMMNQ-RHSMWYFYSA-N 426.416 4.274 5 20 IIBD COc1cc(C(=O)N2CCC(c3nc4cccc(C)c4o3)CC2)cc([N+](=O)[O-])c1OC 444560743 FLLAHMCKQCEKQN-UHFFFAOYSA-N 425.441 4.081 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1)c1cccc([N+](=O)[O-])c1 445612624 MPUROKYBGPNSQI-NSHDSACASA-N 430.873 4.188 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 447003554 SYRFLNJZEZNWJK-UHFFFAOYSA-N 440.403 4.217 5 20 IIBD CCOC(=O)c1cc(C(=O)NCc2nc(C)c(-c3ccc(Cl)cc3)o2)cc([N+](=O)[O-])c1 447279354 HHSLRESKAWOBAX-UHFFFAOYSA-N 443.843 4.318 5 20 IIBD CCC[C@@H](C)N(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)c1nc(C)c(C(=O)OCC)s1 460114872 LKOCDLRYHRSYMR-GFCCVEGCSA-N 435.502 4.380 5 20 IIBD O=C(CNc1ccc(Oc2ccc(Cl)cn2)cc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 462181634 LABAQPGFHPUNIN-UHFFFAOYSA-N 442.815 4.215 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCN([C@@H](C)c3nccs3)CC2)cc1OC 464593832 OXZXMUAUJKISHG-SJORKVTESA-N 448.589 4.364 5 20 IIBD O=[N+]([O-])c1cc2c(c(C[S@@](=O)Cc3ccc(Br)c(Cl)c3)c1)OCOC2 468840355 FJEGTEDBMXTSDF-VWLOTQADSA-N 446.706 4.326 5 20 IIBD CCN(C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)[C@H](C)c1cc2ccccc2o1 468932746 JNPIHDPRUNIKEQ-CQSZACIVSA-N 435.436 4.218 5 20 IIBD COCCN(Cc1cc(Br)cs1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 470141455 OSLODLVTSLUNKE-UHFFFAOYSA-N 432.271 4.238 5 20 IIBD Cc1cc(OC[C@H](O)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)c(C(C)C)cc1Cl 470878907 CJDJKIQQMGAUHN-MRXNPFEDSA-N 430.892 4.378 5 20 IIBD O=C(c1ccc(Oc2ccncc2)c(Cl)c1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 470886273 OCHCKFCIBZKZSL-UHFFFAOYSA-N 425.828 4.339 5 20 IIBD CCN(c1ccccc1)c1ccc(CNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1 472616619 MOSLOMRITNHOEM-UHFFFAOYSA-N 436.443 4.147 5 20 IIBD CSc1cccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)c1[N+](=O)[O-] 475780279 KNSKUCTXPZFWOD-ZDUSSCGKSA-N 440.308 4.159 5 20 IIBD Cc1cc(CN(C)C(=O)c2cc([N+](=O)[O-])nn2C)cc(C)c1OCc1ccccc1Cl 478149392 YZARSVJIQJYDSK-UHFFFAOYSA-N 442.903 4.450 5 20 IIBD COc1cc(CNCc2cc(Br)ccc2Br)c([N+](=O)[O-])cc1O 479584333 HIESYMZECQIYDR-UHFFFAOYSA-N 446.095 4.124 5 20 IIBD CC(C)N(C)C(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 480646459 KBUCHJDGTOCQNP-UHFFFAOYSA-N 441.553 4.465 5 20 IIBD CCS[C@H]1CCC[C@@H]1NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] 480984782 CPPONUHTTCHTRB-KSSFIOAISA-N 437.543 4.043 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cccc(NC(=O)c2ccncc2)c1 482394616 PILUXVVAFWNUQK-UHFFFAOYSA-N 448.482 4.441 5 20 IIBD O=C(NCc1nc(C2CC2)cs1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 483618140 DABVTNSDZGWYBY-UHFFFAOYSA-N 438.296 4.351 5 20 IIBD CSc1cccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c1[N+](=O)[O-] 485522116 SKECFSIMTOIZNL-CQSZACIVSA-N 440.308 4.159 5 20 IIBD O=C(NCC(=O)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21)c1c(Cl)cccc1[N+](=O)[O-] 485637580 SBEZGNCVWVFDRY-ZHALLVOQSA-N 441.915 4.163 5 20 IIBD C[C@H](Cc1nc2ccccc2s1)NC(=O)c1sc(Br)cc1[N+](=O)[O-] 486355496 HADMWJHLYGECLC-MRVPVSSYSA-N 426.317 4.390 5 20 IIBD CCc1cc(N2CCC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3SCC(C)C)C2)ncn1 487593197 QZDBURUXGYHNTE-QGZVFWFLSA-N 443.573 4.094 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(Oc2cccnc2)cc1 487901513 VRQAGBHNBDBJNV-JKSUJKDBSA-N 436.468 4.469 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1CN1C(=O)CCC1=O 488314782 YQFMJKFIWPRDCL-UHFFFAOYSA-N 441.509 4.244 5 20 IIBD CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 489398772 GHLXHXKBNFLHCQ-UONOGXRCSA-N 443.504 4.370 5 20 IIBD Cc1ccc(S(=O)(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)cc1[N+](=O)[O-] 490035909 DLGOCVNLCBPGQN-UGSOOPFHSA-N 444.431 4.073 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NCc1ccnc(OC2CCCC2)c1 494182875 NODYNIQPMUQPGD-UHFFFAOYSA-N 438.406 4.329 5 20 IIBD CC[C@@H]1Oc2cc([C@H](C)NC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)ccc2NC1=O 494465655 CCBMTYOOEZCRFO-XOBRGWDASA-N 438.484 4.140 5 20 IIBD O=C(NC1(Cc2ccc(F)cc2)CCOCC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 499246621 DIASMZVUOQCBFR-UHFFFAOYSA-N 435.455 4.318 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cnc(-c4cccc(O)c4)nc3)cc2[N+](=O)[O-])C1 503096995 TXJPITMRALYXDE-IYBDPMFKSA-N 447.495 4.492 5 20 IIBD Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)c1cc2ccccc2c2cccnc12 506736322 QAWKNWBKXLWRPY-UHFFFAOYSA-N 425.488 4.421 5 20 IIBD Cc1cc(=O)c(C(=O)N(CC2CCCCC2)c2ccccn2)nn1-c1ccccc1[N+](=O)[O-] 507976057 UPOSBNKNVKOZNF-UHFFFAOYSA-N 447.495 4.071 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CCCC12CCCCC2 509321621 FETSLEKADPGUSC-UHFFFAOYSA-N 428.270 4.447 5 20 IIBD Cc1cc(C)n(-c2ccc(NC(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)cn2)n1 509699230 OFKHDIGGTDWHNB-UHFFFAOYSA-N 430.262 4.116 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](C)c1ccc(Oc2cccnc2)cc1 511724825 ZMXXPIWXBIAOGB-MRXNPFEDSA-N 434.452 4.215 5 20 IIBD CC(C)[C@@H]1C[C@@H](CC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCO1 513710312 RCQRGPPNMZBIRI-KXBFYZLASA-N 443.466 4.104 5 20 IIBD C[C@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccc(F)c2ccccc12 517255935 CEZBREOKSDHNNB-ZDUSSCGKSA-N 435.411 4.032 5 20 IIBD Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 518863372 GPZSLPKEPXUPKX-UHFFFAOYSA-N 434.452 4.356 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 518922014 PYPBBJTVIFLOSD-UHFFFAOYSA-N 433.390 4.141 5 20 IIBD Cc1cc(COc2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2Br)no1 519104994 JDCKBZSFOOEWDI-UHFFFAOYSA-N 432.230 4.485 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccco1 520020779 SKXXIKRUQKMCFD-UHFFFAOYSA-N 433.464 4.231 5 20 IIBD CCc1ccc(-c2csc(NC(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)n2)s1 521841314 BUFHTGYRCYFGEH-UHFFFAOYSA-N 426.483 4.175 5 20 IIBD O=C(c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)N1CCc2c1cccc2[N+](=O)[O-] 523162072 FRBRTIQRCSBDFR-UHFFFAOYSA-N 443.385 4.275 5 20 IIBD COc1cc(F)c([C@H](C)NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 523885120 KACBCZOQNLPJCF-NSHDSACASA-N 426.828 4.051 5 20 IIBD O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@H](c1ccc(Cl)cc1)c1ccccc1Cl 525703029 VHXKJXLAZUFEPL-QGZVFWFLSA-N 438.292 4.365 5 20 IIBD COc1ccc(CC(=O)NCC2(C(=O)Nc3ccc(C)c(C)c3)CCCC2)cc1[N+](=O)[O-] 530673205 WTKIFRBWGHWNAN-UHFFFAOYSA-N 439.512 4.078 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 532968295 BCROGTKGCKJLMC-DZGCQCFKSA-N 433.867 4.309 5 20 IIBD COc1ccc2[nH]cc(C3CCN([C@H]4CCN(c5cccc([N+](=O)[O-])c5)C4=O)CC3)c2c1 533250519 SBLISZJYZBWPOV-QHCPKHFHSA-N 434.496 4.070 5 20 IIBD CC[C@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@H](c1ccc(C)cc1)n1cncn1 534456316 ZDHKJPAIOHEDHG-NDXORKPFSA-N 439.541 4.160 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CN3CCN(c4ncc(Cl)cc4Cl)CC3)co2)cc1 534812251 ICJNKOWPUQBLQE-UHFFFAOYSA-N 434.283 4.274 5 20 IIBD CCN(Cc1ccc(OC)c(OC)c1)C(=O)COc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 534949320 SULOVNMXHMYUTC-UHFFFAOYSA-N 442.390 4.058 5 20 IIBD CCNc1ccc(C(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] 534963844 NLYKTGHEDXLWQK-YWZLYKJASA-N 434.899 4.242 5 20 IIBD C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 535495575 MPHMODVPVACXFE-JTQLQIEISA-N 444.702 4.032 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C)c(OC(F)F)c1 535660767 DUGCDLCRXOAWHO-UHFFFAOYSA-N 440.424 4.412 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N1CCCc2ccc(F)c(F)c21 535803613 VLLOTNZFQFPIBH-UHFFFAOYSA-N 444.175 4.071 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NC(C)(C)c2ccccc2Br)cc1OC 536073466 OEKNKEXKKATMCR-UHFFFAOYSA-N 437.290 4.430 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](Cc2ccccc2)[C@@H]1C 536468876 UFBCPONKKPYZRZ-WMZOPIPTSA-N 442.537 4.343 5 20 IIBD O=C(Nc1ccc(COC2CCCC2)cc1)c1cccc([N+](=O)[O-])c1N1CCOCC1 537355730 BAVRIXVIXMVMSG-UHFFFAOYSA-N 425.485 4.143 5 20 IIBD COc1cccc(CNC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])c1OC1CCCC1 538425708 WGPRZPQVTHOBKY-UHFFFAOYSA-N 428.485 4.319 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(c2ccccc2F)C1=O 538523796 ODKBMDGWBWHBPR-KRWDZBQOSA-N 431.489 4.161 5 20 IIBD COc1cc(C(=O)N2CCCc3c(F)cc(Br)cc32)cc([N+](=O)[O-])c1OC 538592385 SQYRONLAXUWKLL-UHFFFAOYSA-N 439.237 4.107 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)n(-c2ccc(C)cc2)n1 539453960 SAZMREZUJQPZIC-UHFFFAOYSA-N 426.498 4.388 5 20 IIBD O=[N+]([O-])c1cc(CN2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)ccc1Oc1ccc(F)cc1 539841093 YDEXBADAJKSYGV-GHTZIAJQSA-N 434.489 4.068 5 20 IIBD C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2cccc(F)c2)no1 542191977 AWXSSTDJLKLVDA-JTQLQIEISA-N 436.852 4.407 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)NCCC(=O)Nc3cccc([N+](=O)[O-])c3C)n2)cc1F 542617228 SZKLAGDTOJVKEL-CQSZACIVSA-N 427.436 4.080 5 20 IIBD COc1cc([C@@H](C)Nc2ncc([N+](=O)[O-])c(C)c2Br)cc(OC)c1OC 543438017 FIEDHOYEBFZGRW-SNVBAGLBSA-N 426.267 4.260 5 20 IIBD C[C@@H](C(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1F 544401882 WPZBBPLDXDPYKU-SNVBAGLBSA-N 428.247 4.241 5 20 IIBD CCCOc1cn(-c2ccccc2)nc1-c1nc(Cc2ccc([N+](=O)[O-])c(OC)c2)no1 545055161 LAQXYSOVQKKUDW-UHFFFAOYSA-N 435.440 4.219 5 20 IIBD COc1cc(/C=C\c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)cc2c1OCCO2 545851007 UWRSUXJJALFDBT-DJWKRKHSSA-N 434.408 4.000 5 20 IIBD COc1cc(-c2nc(Cc3c[nH]c4ccc(Br)cc34)no2)ccc1[N+](=O)[O-] 546398264 YNBJFSCKCKGEGB-UHFFFAOYSA-N 429.230 4.488 5 20 IIBD COc1ncc(Br)cc1Cc1noc(/C=C\c2ccc(F)cc2[N+](=O)[O-])n1 547178243 GYHZCMLSHFAAMA-HYXAFXHYSA-N 435.209 4.044 5 20 IIBD CNC(=O)CCCCC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 548937584 IZYBRAQANYBRRB-UHFFFAOYSA-N 437.855 4.102 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccnn2Cc2cccc(Br)c2)c1 548953695 DYOGPKGOWKUKDN-UHFFFAOYSA-N 445.273 4.253 5 20 IIBD COCC1(CNC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CCOCC1 552677659 LMYGDOHOITZDKM-UHFFFAOYSA-N 430.526 4.227 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NC[C@H]3CCOC[C@@H]3C)c([N+](=O)[O-])c2)c(C)c1 553644833 DIUAUQDHJXPZEZ-DLBZAZTESA-N 433.530 4.097 5 20 IIBD O=C(Nc1ccc(-c2ccc(Cl)s2)nc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 555034769 JPWABJSHMGXDKL-UHFFFAOYSA-N 432.893 4.437 5 20 IIBD CC(C)(C(=O)N1CCC[C@@H](NC(=O)CCCc2ccccc2)C1)c1ccccc1[N+](=O)[O-] 556928103 ZFCDRKAJIVPJIT-HXUWFJFHSA-N 437.540 4.003 5 20 IIBD CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)c1ncnc2sc([N+](=O)[O-])cc12 557619510 SVFJEXRYDZBHOV-UHFFFAOYSA-N 425.436 4.187 5 20 IIBD CC(C)(NC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)c1ccccc1[N+](=O)[O-] 557974895 NXTGMDPZRUOVLQ-ZDUSSCGKSA-N 436.295 4.306 5 20 IIBD COc1cc(Cc2noc(CCSc3ccc4c(c3)OCCCO4)n2)ccc1[N+](=O)[O-] 558592626 LLJQKOMRAYCMAQ-UHFFFAOYSA-N 443.481 4.073 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=O)C2(Cc3cccs3)CCCCC2)CC1 572565652 BZCWAOKLHWYIER-UHFFFAOYSA-N 447.582 4.195 5 20 IIBD COc1cc(OCC(=O)N(Cc2cc(F)ccc2F)c2ccccc2)ccc1[N+](=O)[O-] 576427214 OSYSVGLADXZLPD-UHFFFAOYSA-N 428.391 4.494 5 20 IIBD COc1cc(C(=O)NCCc2ccc(Br)cc2Cl)cc([N+](=O)[O-])c1OC 578811651 FCEHAOAGPQQJKF-UHFFFAOYSA-N 443.681 4.000 5 20 IIBD COc1cc(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)c([N+](=O)[O-])cc1OC(F)F 585722071 IKSIVTKVYRFYFI-UHFFFAOYSA-N 444.394 4.132 5 20 IIBD O=C(N[C@@H]1CCCN(CC(F)(F)F)C1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 590374830 VEIBWCHVYPQRHX-CYBMUJFWSA-N 431.480 4.386 5 20 IIBD O=C(NC1(Cc2ccc(F)cc2Cl)CCOCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 590522268 ZYSCKDSGHZBGFC-UHFFFAOYSA-N 447.894 4.483 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 590549965 JKQNJYLGPHSBDC-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 604005044 WBZNBRXJIUCERX-UHFFFAOYSA-N 433.420 4.179 5 20 IIBD COc1ccc(CNC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)cc1[N+](=O)[O-] 604017421 BCZYLULUYZWCQE-UHFFFAOYSA-N 428.876 4.496 5 20 IIBD NC(=O)CC[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 608905075 HQFPXXFWPNTNKB-AWEZNQCLSA-N 431.876 4.158 5 20 IIBD Cc1nc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)sc1Cc1ccccc1F 608938923 YDKIBZZDMYQXNE-UHFFFAOYSA-N 429.429 4.113 5 20 IIBD Cc1cc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)n(-c2ccc(C(F)(F)F)cn2)n1 608943392 KQAYNJYIGMOPKC-UHFFFAOYSA-N 444.373 4.096 5 20 IIBD CN(C(=O)c1cccc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)c1)c1ccccc1 609215569 DHTBCOVGHMQYBJ-UHFFFAOYSA-N 447.447 4.285 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2c(C)cnn2[C@@H]2CCCc3ccccc32)cc1[N+](=O)[O-] 609321537 FFRMQEZLHRXWTE-LJQANCHMSA-N 426.498 4.135 5 20 IIBD COc1cc(CCNC(=O)CCc2nc3cc(Cl)ccc3s2)c([N+](=O)[O-])cc1OC 609331058 LEORFJAOEJOUMT-UHFFFAOYSA-N 449.916 4.167 5 20 IIBD CCc1ccccc1NC(=O)[C@@H](C)SCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 609770581 BZEKYOUNTREAKR-CQSZACIVSA-N 429.498 4.216 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCN(Cc2cscn2)CC1 609781535 NJCLLUTWMUTJLG-UHFFFAOYSA-N 439.497 4.193 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCC(=O)N(C)c3ccccc32)cc1[N+](=O)[O-])c1ccccn1 609975982 QOHSDMMSIMCEIT-MRXNPFEDSA-N 445.479 4.176 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CC[C@@H]2[C@H]1[C@H]2C(F)(F)F 610494520 BEGHUMOROYSYQO-HJIKLVIJSA-N 435.189 4.110 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccn([C@@H](C)c2ccccc2)n1 611207135 FUHYIPZYIVBCIN-HNNXBMFYSA-N 426.498 4.391 5 20 IIBD O=[N+]([O-])c1ccc2ncnc(NCc3cnn(-c4ccc(Br)cc4)c3)c2c1 618348064 SOHCHLIXCXYEBH-UHFFFAOYSA-N 425.246 4.098 5 20 IIBD C[C@@H](C(=O)Nc1nc(-c2ccc3c(c2)CN(C)C(=O)N3)cs1)c1cccc([N+](=O)[O-])c1 619464375 BQECWQAXBLKQSK-GFCCVEGCSA-N 437.481 4.438 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1 619466683 JTUQMMYLLVPULP-UHFFFAOYSA-N 442.428 4.087 5 20 IIBD Cc1cc(NC(=O)[C@H](C)OC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])ccc1Br 725935251 ILWGJPZSRVLCQK-VIFPVBQESA-N 443.200 4.128 5 20 IIBD Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Br 725986471 YZGSOVHUWBQIPM-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD CCCCOc1ccc(-c2nnc(Cn3c(C)nc([N+](=O)[O-])c3Br)o2)cc1 726431184 QERWNXPOXWZQTK-UHFFFAOYSA-N 436.266 4.139 5 20 IIBD CC[C@H](OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 727965392 TWURGFXEHYIREU-KRWDZBQOSA-N 435.274 4.172 5 20 IIBD Cc1cc(C(=O)OCc2c(F)cccc2[N+](=O)[O-])c2cnn(Cc3cccs3)c2n1 728986575 VFGHWCODDCGSLA-UHFFFAOYSA-N 426.429 4.254 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(NC(=O)c2sccc2C)cc1 729484308 HWDJPESXAYHYFN-UHFFFAOYSA-N 432.479 4.293 5 20 IIBD CC(C)COc1cccc(C(=O)OC[C@@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])c1 730703919 QCHWUBQGLSKIRK-SFHVURJKSA-N 426.469 4.091 5 20 IIBD Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)COc3ccc(C=O)cc3[N+](=O)[O-])s2)cc1 731637726 ABWCVUGIBOIZGP-AWEZNQCLSA-N 439.493 4.404 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccoc1CN1c2ccccc2C[C@@H]1C 732840594 DFFLRNYEKOMNFY-INIZCTEOSA-N 449.463 4.243 5 20 IIBD C[C@H](Oc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 734415728 GECXRKNFNWKVLM-AWEZNQCLSA-N 443.437 4.444 5 20 IIBD O=C(Cn1cccc(C(F)(F)F)c1=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 735250276 AZCVXILLTQQXNM-UHFFFAOYSA-N 433.342 4.206 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1 735802979 QLMGOEZARLJMGV-UHFFFAOYSA-N 437.905 4.030 5 20 IIBD CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2sc(C)nc2C)NC(=O)N1CC1CC1 736539768 URGGQNDLWZROJF-GOSISDBHSA-N 441.513 4.057 5 20 IIBD C[C@@H](CC(=O)O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(C(F)(F)F)c1 738745551 UVNVXBNICLCIEO-SCLBCKFNSA-N 436.386 4.456 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)[C@@H](O)CCc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 741007534 VBOHNTZTUWJESW-GOTSBHOMSA-N 448.475 4.120 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(COCc3ccccc3)cc2)c([N+](=O)[O-])c1 741654905 SNOXOWRVVQWIMZ-UHFFFAOYSA-N 443.437 4.021 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)Oc2ccc(N(C)S(=O)(=O)c3ccc(F)cc3)cc2)c1 741884311 BESJHKKFRDNKQC-UHFFFAOYSA-N 444.440 4.087 5 20 IIBD CC(C)(C)OC(=O)N1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c2ccccc21 741954633 KCWVCXWKKRBKHJ-UHFFFAOYSA-N 441.440 4.116 5 20 IIBD CN(C(=O)c1ccncc1)c1ccc(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)cc1 742408582 KQEYNRLSUYPSIR-UHFFFAOYSA-N 428.395 4.480 5 20 IIBD COc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(OC)c1 745567865 GUJOAOPPZCQQEU-JTQLQIEISA-N 427.331 4.059 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 745775200 DYLMBMQZJMVRPN-HNNXBMFYSA-N 429.448 4.074 5 20 IIBD CCN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 747322196 SHXVHPCJMOZYJX-UHFFFAOYSA-N 436.795 4.208 5 20 IIBD COc1cc(C2SCCS2)ccc1OS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C 748647129 KCXMYXIMGVSXER-UHFFFAOYSA-N 441.552 4.467 5 20 IIBD O=C(OCc1nc2ccccc2n1C(F)F)c1ccc(Br)cc1[N+](=O)[O-] 750819118 LSIFXKDOKXTDAQ-UHFFFAOYSA-N 426.173 4.459 5 20 IIBD CCn1c(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)nc2ccccc21 750828472 YDPAEXFXJPPKJI-UHFFFAOYSA-N 437.681 4.310 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)cc1[N+](=O)[O-] 752054173 IHFMDTLOZFDBIU-CYBMUJFWSA-N 444.538 4.022 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]21 752387561 GYYRXGQRUMCVAU-JGGQBBKZSA-N 438.912 4.405 5 20 IIBD CC(C)([C@H](OC(=O)CSCc1cscn1)c1ccc(Br)cc1)[N+](=O)[O-] 753471078 CSRIMEWSVQKAAG-OAHLLOKOSA-N 445.360 4.479 5 20 IIBD COc1ccc(Cl)cc1-c1cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n[nH]1 754840579 MDPJZQOKOARPSU-UHFFFAOYSA-N 443.268 4.101 5 20 IIBD CC(C)COc1cccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c1 754994133 MTZYASAXARFGIJ-UHFFFAOYSA-N 425.254 4.461 5 20 IIBD O=[N+]([O-])c1cccc(-c2ncn(CN3CCC[C@H]3c3ccccc3Br)n2)c1 755923324 KNHGJPGXWBAUBP-SFHVURJKSA-N 428.290 4.410 5 20 IIBD CC(=O)N(Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2Br)cc1)C(C)C 758361686 NUKYUMMHBMJGNN-UHFFFAOYSA-N 434.290 4.367 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCc2ncc(NC(=O)Nc3ccc([N+](=O)[O-])cc3F)cc2C1 758370694 XMNSWNIPVSMLND-ZDUSSCGKSA-N 445.451 4.155 5 20 IIBD Cc1ccc(C(=O)CC(C)(C)CC(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 759831936 PGLFRILCFODHKS-UHFFFAOYSA-N 426.469 4.383 5 20 IIBD O=C(CCCc1nc(-c2ccc(F)cc2)no1)O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 759946054 IKHYTDDHNMYZCF-IAGOWNOFSA-N 443.435 4.030 5 20 IIBD COc1ccc(C2(C(=O)OCc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CCOCC2)cc1 760505489 TXSBCIKWQHKMIT-UHFFFAOYSA-N 438.436 4.050 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCC(OC3CCCC3)CC2)c1=S 764945223 HIEINCOTEYLCMW-UHFFFAOYSA-N 431.562 4.390 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C1CCC(NC(=O)OC(C)(C)C)CC1 765083212 ZBDCWGBXDHYACR-LMDPOFIKSA-N 433.549 4.458 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 767136503 JCYPEWDVNUVPBK-OAHLLOKOSA-N 437.374 4.471 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(CS(=O)(=O)Cc2ccn(-c3ccc(Cl)cc3)n2)c1 767666872 WOQYAXWFFYIGCL-UHFFFAOYSA-N 426.281 4.202 5 20 IIBD Cc1cc(C(=O)Oc2ccc(Cl)cc2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ncn1 768133072 IGCOQVOCUVZUAQ-UHFFFAOYSA-N 447.234 4.472 5 20 IIBD Cc1cc(=O)c(C(=O)O[C@@H](c2ccc(F)c(F)c2)C(C)C)nn1-c1ccccc1[N+](=O)[O-] 769285855 KUOXJYNIKPKZCA-OAQYLSRUSA-N 443.406 4.281 5 20 IIBD COc1cccc(C(=O)OCc2csc(N(C(C)=O)c3ccccc3)n2)c1[N+](=O)[O-] 769599386 DZXLSNIZCKFAHB-UHFFFAOYSA-N 427.438 4.102 5 20 IIBD COc1ccc(SCCC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1OC 770330440 KVDXINLQMIHMGW-UHFFFAOYSA-N 441.303 4.495 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)NCC(C)(C)C2=CCCCC2)cc1[N+](=O)[O-] 773517354 ODMOXZOWMZFIBD-UHFFFAOYSA-N 438.322 4.247 5 20 IIBD CC(=O)Nc1ccc(CC(=O)O[C@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])cc1 774373138 JQPVPSZMFCIGIF-LJQANCHMSA-N 449.301 4.290 5 20 IIBD Cc1cc(F)c2nc(O)cc(C(=O)O[C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c2c1 778867805 DQMNNFQYOZKXGN-NSHDSACASA-N 438.371 4.264 5 20 IIBD O=[N+]([O-])c1cccc(Br)c1CN1CCC(n2ccc(C(F)(F)F)n2)CC1 779160437 WZVITUVIJAFBFY-UHFFFAOYSA-N 433.228 4.410 5 20 IIBD C[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](O)c1c(F)cccc1Cl 779384773 NTMOIWJXEMGXSA-BMLIUANNSA-N 430.263 4.005 5 20 IIBD COC(=O)c1cc(C(=O)N(c2ccc(N(C)C)cc2)[C@@H](C)c2ccccn2)cc([N+](=O)[O-])c1 779465375 UXMLJYQWRCMVOH-INIZCTEOSA-N 448.479 4.250 5 20 IIBD COc1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Br)C(F)(F)F)cc1 780301989 DHKUJCNBZRSBQU-AWEZNQCLSA-N 433.180 4.399 5 20 IIBD COc1cc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(OC)c1C(C)C 781296280 GPVHDJSTFBZFRF-UHFFFAOYSA-N 436.848 4.184 5 20 IIBD O=[N+]([O-])c1cc(CN[C@H](CCO)c2ccccc2Br)ccc1Br 781639342 QSMUHHZRAYMDBA-OAHLLOKOSA-N 444.123 4.333 5 20 IIBD C[C@@H](NC1(CNC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCCC1)c1ccccc1 781969938 OLBFCPDKNKFREU-QGZVFWFLSA-N 440.500 4.215 5 20 IIBD O=C(Cc1cncs1)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 782355888 FJLNGORIMGZCHE-GOSISDBHSA-N 431.857 4.170 5 20 IIBD O=C(CCN(Cc1ccccc1)C[C@H](O)c1ccsc1)Nc1cc([N+](=O)[O-])ccc1F 782509826 DDHHSDLHXKFAKM-NRFANRHFSA-N 443.500 4.360 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 782728269 VOBRPBJDKYEAKV-QGZVFWFLSA-N 441.242 4.389 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NCc2ccnc(Oc3ccccc3F)c2)c1[N+](=O)[O-] 784694371 FNTLSIMNNAWUNQ-UHFFFAOYSA-N 428.376 4.242 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)O[C@@H]2CCOC(C)(C)C2)cc1[N+](=O)[O-] 785906520 NZYHPQLFWJOPHL-MRXNPFEDSA-N 426.469 4.006 5 20 IIBD CC[C@@H](OC1CCCC1)C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 785936436 RDJKSYSGDWROOY-MEDUHNTESA-N 432.395 4.222 5 20 IIBD O=C(c1nc(Br)ccc1Br)N1CCCc2ccc([N+](=O)[O-])cc21 790659076 QFHXAKOGSSCQBF-UHFFFAOYSA-N 441.079 4.108 5 20 IIBD C[C@@H](NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)c1cccc(F)c1F 790802785 RAXUUCBXISVQMS-SNVBAGLBSA-N 440.244 4.464 5 20 IIBD O=C(CCc1cc(Br)ccc1F)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 792072782 YUHJIZWUQWRLGH-UHFFFAOYSA-N 427.182 4.081 5 20 IIBD O=C(Oc1ccc(Cc2ccccc2)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)c2ccccc21 793161296 SLJUMFGBMQPDEH-IBGZPJMESA-N 437.473 4.052 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 800830117 KHXIMRAKQUEXBT-MRXNPFEDSA-N 444.340 4.376 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N2CCC3(CCC3)CC2)cc1 803557261 MNGMLHOMUIRQSM-UHFFFAOYSA-N 444.509 4.077 5 20 IIBD O=C(NCc1ccncc1OCc1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCCC1 804147530 FVJWQHRVVWLLHL-UHFFFAOYSA-N 432.480 4.099 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCC([C@@H](F)c2ccccc2F)CC1 807299093 KKFBBINMFNJYSO-GOSISDBHSA-N 437.830 4.275 5 20 IIBD O=[N+]([O-])c1ccc(N2CCOCC2)c(-c2nc(-c3ccc(Oc4cccnc4)cc3)no2)c1 809366242 CSDRWTHWGRJVDE-UHFFFAOYSA-N 445.435 4.336 5 20 IIBD C[C@@H](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccc(S(=O)(=O)N(C)C)cc1 809972132 RPOBKRKOIGGJBJ-LLVKDONJSA-N 432.329 4.003 5 20 IIBD C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810399824 WSXSBUCHCSCCPD-KPZWWZAWSA-N 446.301 4.126 5 20 IIBD O=C(COC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])Nc1ccccc1Br 811373976 VTGPYJFWEAQTJR-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD CC(C)(C)OC(=O)N[C@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1ccccc1 813658864 ATPKMYYTBLPCGF-GOSISDBHSA-N 442.516 4.395 5 20 IIBD CC(C)(C)OC(=O)NC1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 815673652 VTTWIGUCHZPIDW-UHFFFAOYSA-N 431.411 4.179 5 20 IIBD O=[N+]([O-])c1ccc(CCc2nc(-c3cccc(OCc4ccccc4)n3)no2)c([N+](=O)[O-])c1 815703608 JEYJWEJBFMCQCZ-UHFFFAOYSA-N 447.407 4.312 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1[N+](=O)[O-] 914721563 ICCWPKJNLPFADW-UHFFFAOYSA-N 449.916 4.256 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)ccc2C(=O)NC(C)C)cc1OC 916497922 DTYGRUDJRXHYGE-UHFFFAOYSA-N 435.864 4.046 5 20 IIBD C[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1cc2c(cc1Br)OCCO2 917589524 DDIMYSPYLGSQJM-JTQLQIEISA-N 438.303 4.176 5 20 IIBD O=C(COC(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 918850734 PGUOFXNDNUCYDQ-NRFANRHFSA-N 443.459 4.181 5 20 IIBD COc1cccc([C@@H](C)C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)c1 919850161 RFMKDDMNHYMNQJ-YLJYHZDGSA-N 440.496 4.335 5 20 IIBD C[C@H](OC[C@H]1CCCO1)C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1OCc1ccccc1 921000932 IIYDXOBYBJFLOA-GOEBONIOSA-N 434.876 4.350 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2cccc(Cl)c2)c(S(=O)(=O)N2CCCC2)c1 1115859283 ROXSZPQAAPUJOF-GOSISDBHSA-N 435.933 4.374 5 20 IIBD CCCOc1cc(NC(=O)c2cnn(-c3ccncc3)c2C)c([N+](=O)[O-])cc1OCCC 1319794398 YDFVMPWFFAFDCN-UHFFFAOYSA-N 439.472 4.314 5 20 IIBD COc1c(-c2nc([C@@H](NC(=O)OC(C)(C)C)c3ccccc3)no2)cccc1[N+](=O)[O-] 1321113733 OTDQQHSQCMAOQD-INIZCTEOSA-N 426.429 4.268 5 20 IIBD COc1cc(/C=C(\C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c2ccccc2)ccc1O 1321349825 LRKLLSIAJZAWQX-XKZIYDEJSA-N 430.460 4.435 5 20 IIBD C[C@H](CO)NC(=O)c1ccc(NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1 1321607290 JBPQZXZGBNXHFU-CYBMUJFWSA-N 429.860 4.231 5 20 IIBD O=[N+]([O-])c1ccc(SC2CCCC2)c(-c2nnc(-c3ccc(-n4cnnn4)cc3)o2)c1 1322280514 KXWOLDXPAYHJFU-UHFFFAOYSA-N 435.469 4.322 5 20 IIBD O=C(Nc1nnc(-c2ccncc2)s1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 1324824507 PYJFBNCFWDAXDN-UHFFFAOYSA-N 433.449 4.340 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCc1cccc(C(F)F)c1 1325948276 STKBEGNHISXXBI-UHFFFAOYSA-N 425.457 4.319 5 20 IIBD COCCOc1cn(-c2ccccc2)nc1-c1nc(-c2cc(C)c([N+](=O)[O-])cc2C)no1 1337927968 DMQUSUSZBFMHJW-UHFFFAOYSA-N 435.440 4.140 5 20 IIBD COc1cc(CC(=O)NC2(c3ccc(NC(=O)CC4CC4)cc3)CCC2)ccc1[N+](=O)[O-] 1787824065 FGBQMDSJACJREG-UHFFFAOYSA-N 437.496 4.080 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc(F)s3)CCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 1790184224 GHGZMNYYRYNNCT-UHFFFAOYSA-N 428.445 4.185 5 20 IIBD CC(=O)C[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)CCC2)cc1 1791540812 LGWFXGQFBZLPAU-CQSZACIVSA-N 441.459 4.097 5 20 IIBD CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C2)c1ccccc1 1795453565 WUIVGDZSRYQBAS-KHUIQGCPSA-N 449.551 4.359 5 20 IIBD C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1)c1ccccc1 1823488676 ZVDZVBAUXDCFQT-YOEHRIQHSA-N 437.456 4.021 5 20 IIBD COc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3CCCC3)CC2)ccc1[N+](=O)[O-] 1826258507 SWZUDEGGIGSGOQ-HXUWFJFHSA-N 443.544 4.027 5 20 IIBD C/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)CC1 1831335144 SZLFSRGYDURLQM-JSYMXFIJSA-N 439.556 4.212 5 20 IIBD C[C@@H](CC(=O)N1CC2(CCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1)c1ccccc1 1847058136 BHQZHQKFMYTISC-HYSAVQALSA-N 433.508 4.005 5 20 IIBD Cc1oc(-c2cccs2)nc1COC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 10720832 NNDVHXTUYJZEGC-UHFFFAOYSA-N 443.437 4.051 5 20 IIBD CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccccc1OC 10936724 SCNSATAZWFZUIX-UHFFFAOYSA-N 447.904 4.266 5 20 IIBD O=C(CCCc1ccc(Br)s1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 16584139 XKXUBKLMGHQLKY-UHFFFAOYSA-N 442.287 4.351 5 20 IIBD CCCCc1ccc(-n2nnnc2SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 20788971 CXMLNSFTUZASCQ-UHFFFAOYSA-N 446.920 4.297 5 20 IIBD C[C@H](NC(=O)COC(=O)CSc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 25052941 MJHQRQRKCCVSAW-NSHDSACASA-N 443.308 4.414 5 20 IIBD COc1ccc([C@@H](CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])N2CCCCC2)cc1 27668851 JBYRHMVLUKENHO-OAQYLSRUSA-N 429.542 4.282 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CSc1nnc(Nc2cccc(NC(C)=O)c2)s1 46587800 RZIBJYNQEUZEDF-UHFFFAOYSA-N 431.499 4.449 5 20 IIBD COc1ccc([C@@H](C)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1Br 46743587 QRFPCBIJPADTAQ-CYBMUJFWSA-N 448.317 4.457 5 20 IIBD CC[C@@H](C)c1ccc([C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c2cccs2)cc1 59407806 YIQZNLGTFJEOIF-QRQCRPRQSA-N 425.510 4.237 5 20 IIBD CCOc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)c(OCC)cc1NC(=O)c1ccccc1 68709944 YXEIWQCNGOCPGJ-UHFFFAOYSA-N 439.424 4.490 5 20 IIBD COc1cc(OC)cc([C@@H](Nc2ccc(Br)cc2[N+](=O)[O-])c2nccn2C)c1 105363688 GAHCFQQWFXOUKY-GOSISDBHSA-N 447.289 4.310 5 20 IIBD CC(=O)Nc1cccc(Nc2nnc(SCCOc3cccc([N+](=O)[O-])c3)s2)c1 107757388 VEBIMAYHDOUVSQ-UHFFFAOYSA-N 431.499 4.319 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)CCCc1cc(-c2ccccc2)no1 110305696 QGPFWNCZCGPNPL-MRXNPFEDSA-N 438.484 4.150 5 20 IIBD CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 110480987 JXSHCMRSWSFBCK-ZDUSSCGKSA-N 438.311 4.457 5 20 IIBD CSc1ccc(C(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1[N+](=O)[O-] 195695369 XKBWATILVGIJCK-UHFFFAOYSA-N 436.415 4.451 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Sc2ccc(Cl)cc2)CC1 302677966 VIVBWRWNMXRKMK-UHFFFAOYSA-N 426.947 4.413 5 20 IIBD C[C@H]1C[C@@H](N(C)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 303766669 PUIXJFSKDVMKCU-UGKGYDQZSA-N 436.556 4.320 5 20 IIBD Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)cc1C(=O)N1CCCCC1 428024185 NICARMNOHVIDIG-UHFFFAOYSA-N 448.479 4.095 5 20 IIBD CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCCN(Cc2ccccc2)C1 430593664 TYNFHKMIGXBTPI-KRWDZBQOSA-N 432.318 4.094 5 20 IIBD CCN([C@H](c1cccnc1)c1ccc(F)c(F)c1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 431915589 CZYDVZQFPPUBAS-NRFANRHFSA-N 447.463 4.377 5 20 IIBD CCOc1cc(CS(=O)(=O)Cc2csc(-c3ccccc3F)n2)ccc1[N+](=O)[O-] 434640663 NMGKEXLMWGBJRF-UHFFFAOYSA-N 436.486 4.371 5 20 IIBD CC[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)c1nccs1 435845506 MHCCNEJNRPNCKR-LBPRGKRZSA-N 448.551 4.470 5 20 IIBD COC(=O)c1ccc(CN(C)C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1 436092995 XTMBAGIRLMHDEJ-UHFFFAOYSA-N 436.414 4.018 5 20 IIBD CC(C)n1nc(-c2ccccc2)cc1NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437050674 JKGPRFYQYMSBGC-UHFFFAOYSA-N 447.495 4.169 5 20 IIBD CC[C@@H](CNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)Oc1cccc(F)c1 439830919 OLFVUSAHAYDXSJ-FQEVSTJZSA-N 440.475 4.183 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNc3ccccc3-n3cnnn3)o2)c(Br)c1 440630731 ZRJRLFVOKZXPEM-UHFFFAOYSA-N 441.245 4.205 5 20 IIBD O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 444284820 FYLWBRBFLIQGSZ-HNNXBMFYSA-N 435.886 4.483 5 20 IIBD CCc1ccc(NC(=O)Cc2noc(Cn3c4ccccc4c(=O)c4ccccc43)n2)cc1 445319817 QPKHWELZORNETN-UHFFFAOYSA-N 438.487 4.330 5 20 IIBD COc1nc(C)c(Br)cc1-c1noc(CSc2ccc([N+](=O)[O-])cc2)n1 446010968 JWLWYXZAKGBKTC-UHFFFAOYSA-N 437.275 4.412 5 20 IIBD CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 446581187 QQHWRBLLXYVDAC-UHFFFAOYSA-N 430.892 4.367 5 20 IIBD COC(C)(C)C[C@H](C)NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 460280036 IWGLJKFRYXFERR-ZDUSSCGKSA-N 431.455 4.150 5 20 IIBD Cc1cc(Br)c(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])cc1Cl 461114443 RUZOKHXYWNHUDK-UHFFFAOYSA-N 433.711 4.304 5 20 IIBD Cc1cc(N2CCC(C(=O)NCCCOC(C)C)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] 461783062 CUWANFVTZUSHKU-UHFFFAOYSA-N 431.455 4.070 5 20 IIBD CCn1c(Sc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)nnc1-c1cccnc1 462486423 RDRBNSXRASNMPC-UHFFFAOYSA-N 434.481 4.393 5 20 IIBD Cc1nc(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1[N+](=O)[O-] 463473084 YSZUOYTXBKVOCG-UHFFFAOYSA-N 429.298 4.137 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N(c2ccc(F)cc2)C2CCCC2)cc1OC 465476793 BEDWNAMBEQGCCD-UHFFFAOYSA-N 432.448 4.357 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 466294921 BZTDOKOKQLQXKF-HNNXBMFYSA-N 436.295 4.070 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1cc2cc(Br)ccc2[nH]1 466340827 CRMAYUFIWCDJQE-UHFFFAOYSA-N 427.258 4.110 5 20 IIBD COC[C@H]1CCCCN(c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])C1 466638122 WHUYKCVVPWOZAT-SFHVURJKSA-N 447.557 4.265 5 20 IIBD Cc1cc(N(C)Cc2nc([C@H](C)OCC(C)C)no2)nc(-c2ccc([N+](=O)[O-])cc2)n1 467020947 CNNFOTMZDMCDJJ-HNNXBMFYSA-N 426.477 4.113 5 20 IIBD CC[C@@H](NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1)c1cccc([N+](=O)[O-])c1 467329737 LGCFMGJXEKJJMX-QGZVFWFLSA-N 430.507 4.370 5 20 IIBD CC1CCN(c2ccc(C(=O)NC[C@@H]3CCN(Cc4ccccc4)C3)cc2[N+](=O)[O-])CC1 471284915 ARXMPGKFPUYLON-NRFANRHFSA-N 436.556 4.083 5 20 IIBD COCCC[C@H](Cc1ccccc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 471313170 FKWOXJSEGBOLOL-QGZVFWFLSA-N 435.318 4.054 5 20 IIBD C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 475962026 ZACSSQXFERYZTI-HOTGVXAUSA-N 431.920 4.349 5 20 IIBD O=c1c(Br)cn(-c2ncnc3scc(-c4ccc(F)cc4)c23)cc1[N+](=O)[O-] 477151819 OXNRUBKVHQYFMF-UHFFFAOYSA-N 447.245 4.319 5 20 IIBD CCOc1cc(N2CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3Cl)CC2)ccc1[N+](=O)[O-] 477379810 MWKKFNYKENUJIE-MSOLQXFVSA-N 429.904 4.099 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCC(CCN3CCCC[C@@H]3C)CC2)cc1SC 478326407 CMBIAINWSFJQTO-INIZCTEOSA-N 435.590 4.442 5 20 IIBD CCOc1cc(OCC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)ccc1[N+](=O)[O-] 478733978 SRLJBYHUVGSBLN-QHCPKHFHSA-N 444.484 4.047 5 20 IIBD COc1cc(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)cc([N+](=O)[O-])c1C 478849634 CNMFOYIDHPHDGS-UHFFFAOYSA-N 425.485 4.345 5 20 IIBD Cc1sc([C@@H](C)NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)nc1-c1ccc(Cl)cc1 479202128 BBMITDZALDEAGF-LLVKDONJSA-N 433.921 4.489 5 20 IIBD COc1ccc(-n2c(SCCn3ccc([N+](=O)[O-])n3)nnc2-c2cccc(C)c2)cc1 481227386 AYPJOYCPUAZZEK-UHFFFAOYSA-N 436.497 4.148 5 20 IIBD CCc1cc(Sc2nnc(-c3ccccn3)n2CC)nc(-c2ccc([N+](=O)[O-])cc2)n1 481817149 RLLSZIPRTGFDAU-UHFFFAOYSA-N 433.497 4.439 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3c(F)cccc3F)cc2)cc1[N+](=O)[O-] 481879610 PYAPBSOBKKLKLG-UHFFFAOYSA-N 447.419 4.235 5 20 IIBD COc1cc(C(=O)NCCc2cccnc2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 483973900 JZPRBIXCRAAWLP-UHFFFAOYSA-N 427.844 4.417 5 20 IIBD CN(C)C(=O)c1cccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)c1 485404535 KNCUIBNTZOXXCL-UHFFFAOYSA-N 449.532 4.420 5 20 IIBD CC[C@@H](C)[C@@](C)(O)CNc1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1[N+](=O)[O-] 488151160 RBWRHCPMWASECU-IERDGZPVSA-N 435.546 4.019 5 20 IIBD Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 488252520 PUXILWJFJIURSQ-ZIAGYGMSSA-N 435.484 4.150 5 20 IIBD Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1OC(C)C 488442938 NJLUEKFTQBBJCF-HXUWFJFHSA-N 425.485 4.242 5 20 IIBD CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 489094037 KTQOTHIPEZKHLD-QGZVFWFLSA-N 449.511 4.277 5 20 IIBD CC(C)CCn1ncc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c1C(C)C 490166080 UHAKCRLHVXGDOV-INIZCTEOSA-N 447.561 4.266 5 20 IIBD COc1c(F)cc(S(=O)(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)cc1[N+](=O)[O-] 490419574 XPFMBTIMESRGJV-GOSISDBHSA-N 433.461 4.140 5 20 IIBD CN(Cc1ccc(Br)c(F)c1)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 491612973 NDIFLEVYBSKJGR-UHFFFAOYSA-N 436.281 4.369 5 20 IIBD CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1c(N)cccc1[N+](=O)[O-] 499781896 URVLWODKBZBNOW-UHFFFAOYSA-N 425.464 4.191 5 20 IIBD CCC[C@@H]1C[C@@H](C(=O)N(CCOC)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CCO1 502568008 GQDZJTCKRPQPSO-FUHWJXTLSA-N 433.530 4.293 5 20 IIBD CC(C)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C(C)C)c1 503501808 NJCFAQLTJHIOBQ-UHFFFAOYSA-N 433.530 4.149 5 20 IIBD CC(C)(C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1csc(-c2cccs2)n1 503988413 DECKBTJEBANGID-UHFFFAOYSA-N 442.566 4.406 5 20 IIBD O=C1[C@@H](N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)CCN1c1cccc([N+](=O)[O-])c1 504408140 MFMZUMZFOXBWHV-FCHUYYIVSA-N 436.899 4.322 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](NC(=O)c1ccccc1Br)C(C)C 506669761 RDYGQZFQEVKMKE-KRWDZBQOSA-N 434.290 4.059 5 20 IIBD C[C@@H](NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccncc2)cc1 506822767 RSVXGVRABKETKR-HZPDHXFCSA-N 433.468 4.364 5 20 IIBD CC(C)Oc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1I 508925557 UYYCNKNHCMXDRG-UHFFFAOYSA-N 426.210 4.239 5 20 IIBD COc1cc(C(=O)NCC[C@H]2C[C@H]3CC[C@H]2C3)c([N+](=O)[O-])cc1OCc1cscn1 509917954 WBOVBEHWYHOFSV-KKUMJFAQSA-N 431.514 4.195 5 20 IIBD C[C@H]1C[C@H](CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)CN1Cc1ccccc1 510147781 JHWRIQLOYDBGMM-RDJZCZTQSA-N 446.345 4.388 5 20 IIBD C[C@H]1C[C@H](c2ccccc2)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 511031630 RGKFIZKGHZXZSO-BLLLJJGKSA-N 425.304 4.129 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)Cc1ccc(OCC(F)(F)F)cc1 511126766 QOPCUJXXJWEJML-ZDUSSCGKSA-N 441.406 4.004 5 20 IIBD COc1cc(C(=O)Nc2nc3c(s2)CCCC3)c([N+](=O)[O-])cc1OCc1cscn1 511649402 SBELWTMGYGCNLU-UHFFFAOYSA-N 446.510 4.227 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@H]3CCCc4nn(C)cc43)cc2[N+](=O)[O-])n1 512835288 STOPNYQKMHPWDA-AWEZNQCLSA-N 429.527 4.052 5 20 IIBD CN(C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 513352763 RSCHWOZPMASYJQ-UHFFFAOYSA-N 449.389 4.396 5 20 IIBD COc1ccccc1SC[C@H](C)CN[C@@H](c1ccc([N+](=O)[O-])cc1)c1nccn1C 513653839 GAIHKPCRQIGBCF-IERDGZPVSA-N 426.542 4.444 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NCCn1cccn1 513723058 BWWLHZQPIZRKFV-SAPNQHFASA-N 433.493 4.148 5 20 IIBD O=C(COc1ccc(Br)cc1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 515198415 NRDZQZCAJULMNV-UHFFFAOYSA-N 447.207 4.327 5 20 IIBD C[C@@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])c1cccc(OCc2ccccn2)c1 515512070 GHNPKGHUFJLANK-QGZVFWFLSA-N 435.484 4.041 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 517766850 HKIBPPHXBGCKPZ-QWFCFKBJSA-N 445.313 4.310 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 519877702 OHMHDMRRDWLJTQ-INIZCTEOSA-N 426.231 4.284 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cc(-c2ccc(Br)s2)[nH]n1 521039036 AIEPJHMRSXCPGL-UHFFFAOYSA-N 446.286 4.402 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1C[C@H]1c1c(F)cccc1F 522546358 JPJADCBFTPQUJZ-NEPJUHHUSA-N 429.345 4.224 5 20 IIBD CCc1nc(CCNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cs1 523258313 GAZAFXXSJHXNSX-AWEZNQCLSA-N 425.514 4.154 5 20 IIBD C[C@@H](Oc1ccccc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 523783629 NPVWBILSWGBHSD-GOSISDBHSA-N 447.495 4.484 5 20 IIBD CC(=O)Nc1ccc(C)c(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 525242638 FPKUIOSZFVPIOQ-UHFFFAOYSA-N 439.493 4.257 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 533366666 BSDSKQUUNAUYKX-AWEZNQCLSA-N 439.447 4.196 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCN(Cc4ccsc4)CC3)cc2[N+](=O)[O-])C1 534522470 YTDTZMIVNIFGNF-HDICACEKSA-N 442.585 4.097 5 20 IIBD CC(C)CNC(=O)c1cccc(C[S@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1 534795999 WNKHUVKAFDUQIP-HKBQPEDESA-N 441.509 4.085 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CS(=O)(=O)Cc3sccc3Br)co2)cc1 535511293 OYONXHPLUGPFDM-UHFFFAOYSA-N 443.300 4.189 5 20 IIBD CCc1nc2ccccc2n1C1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 537867516 LNHRRMURPJQQFV-UHFFFAOYSA-N 448.932 4.186 5 20 IIBD COc1ccc(CNc2cnccc2-n2cccn2)cc1OCc1ccc([N+](=O)[O-])cc1 538447078 WEGITDMMNZVWGG-UHFFFAOYSA-N 431.452 4.375 5 20 IIBD CS(=O)(=O)c1cccc(Oc2ncccc2CNCc2ccc([N+](=O)[O-])cc2Cl)c1 541546297 DAWQQCMLKQYCCQ-UHFFFAOYSA-N 447.900 4.129 5 20 IIBD Cc1cc(-c2noc([C@H](C)N[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)n2)ccc1F 543543614 CDYZAALJGDBUJU-KGLIPLIRSA-N 427.436 4.079 5 20 IIBD CC(C)C[C@@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])N[C@H](C)c1ccccc1 543978621 WAJGLZBOVLMHDM-ZBFHGGJFSA-N 425.576 4.237 5 20 IIBD CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)c2cc([N+](=O)[O-])cnc2N)cc1 544736148 CWYVYTYDICRSGM-UHFFFAOYSA-N 433.468 4.374 5 20 IIBD CN1C(=O)CCc2cc(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)ccc21 548691613 OBQNHFAEESDPPY-UHFFFAOYSA-N 433.414 4.121 5 20 IIBD CC[C@@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 552880523 KGIBHWHREVRBTQ-SNVBAGLBSA-N 429.292 4.317 5 20 IIBD CSc1ccc(NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1Cl 560222837 RQWASEVOUZUTPP-UHFFFAOYSA-N 444.694 4.310 5 20 IIBD Cn1ccnc1[C@@H](N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1cccc([N+](=O)[O-])c1 560544491 LEFLXVUWSONMBB-YWZLYKJASA-N 429.883 4.079 5 20 IIBD O=C(c1ccc(C(=O)N2CC[C@H](CC3CC3)C2)c([N+](=O)[O-])c1)N1CC[C@@H](CC2CC2)C1 576334981 NEXOFGNHAHNSLL-RBUKOAKNSA-N 425.529 4.119 5 20 IIBD Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 576407589 ZXWZKLZCJQQQKQ-SPLOXXLWSA-N 430.892 4.086 5 20 IIBD C[C@H](NCc1cc(I)cc([N+](=O)[O-])c1)c1cccc(-n2cccn2)c1 582031711 XCIOQHLZHBHSFU-ZDUSSCGKSA-N 448.264 4.236 5 20 IIBD Cc1c(-c2nc(CC(=O)NCc3ccc([N+](=O)[O-])cc3)no2)sc2cc(F)ccc12 582632066 NPPNMSIFSXBSQO-UHFFFAOYSA-N 426.429 4.166 5 20 IIBD CC(C)c1[nH]nc(C(=O)N[C@H]2CCCc3c2[nH]c2ccc(Br)cc32)c1[N+](=O)[O-] 583864636 WXKVDUDKDHXYAO-AWEZNQCLSA-N 446.305 4.493 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1noc(-c2cnc3ncc(Br)cc3c2)n1 589123849 AEECVJCCKJVVJL-UHFFFAOYSA-N 441.245 4.005 5 20 IIBD O=C(NC[C@H](CO)Cc1ccncc1Cl)c1cc([N+](=O)[O-])ccc1SC1CCCC1 590341132 AJFAQTITEXEZDI-CQSZACIVSA-N 449.960 4.259 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)Nc1nc2ccccc2s1)c1ccccc1[N+](=O)[O-] 603461509 IJBBUPAFUULZBR-OAHLLOKOSA-N 428.470 4.409 5 20 IIBD COc1cc(CCNC(=O)Nc2ccc(C)cc2Br)c([N+](=O)[O-])cc1OC 603646030 JNCPOSXBAFWXQF-UHFFFAOYSA-N 438.278 4.047 5 20 IIBD CCOc1ccc([C@H](NC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c2ccccc2)cc1 603721221 MSLQLGUXQRUPGQ-JOCHJYFZSA-N 433.464 4.146 5 20 IIBD COc1cc(NC(=O)c2csc([N+](=O)[O-])c2)c(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1OC 603755813 BRNAWTVGPIZWOB-STQMWFEESA-N 447.513 4.329 5 20 IIBD COc1cc(CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])ccc1OCC(F)(F)F 603864504 IBVRTHVOYZXBOC-UHFFFAOYSA-N 439.390 4.049 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(OCCc2ccccc2)CC1 604471731 VMRFEDNOMORXSV-MRXNPFEDSA-N 432.904 4.266 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCO[C@H](c2ccc(F)c(F)c2)C1 608964677 MBOCWRAEQZFCSX-KRWDZBQOSA-N 446.328 4.028 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H](N3CCCCC3)C2)cc1 609348202 OBIJAMGQSLLKQF-SFHVURJKSA-N 425.485 4.096 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 609784503 WKZVNEPKLJUGMD-UHFFFAOYSA-N 441.846 4.499 5 20 IIBD O=C(COc1ccccc1)Nc1ccccc1OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 609831326 ZPWGSHMDVHQVAC-UHFFFAOYSA-N 446.419 4.241 5 20 IIBD CC(=O)Nc1c(C)ccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1C 610321907 QDMGRBXMSUCYPJ-UHFFFAOYSA-N 426.473 4.245 5 20 IIBD CCCC(=O)NC1CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 610859093 PIJQNMUXFHZQOS-UHFFFAOYSA-N 427.526 4.267 5 20 IIBD CCOCCCN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)[C@H](C)C1 611206227 ZPOKTRATEISASQ-UTKZUKDTSA-N 449.617 4.496 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3nc([C@H]4CCCS4)no3)cc2)c1 612949598 XADPCSRLNDWDPM-MRXNPFEDSA-N 432.483 4.014 5 20 IIBD O=C(Nc1ccc(-n2cncn2)cn1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 616633777 AKQVNKDFUNYKBD-UHFFFAOYSA-N 449.858 4.088 5 20 IIBD CC[C@H](OC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1cccc(Br)c1 727961443 FSFMRWXLUNIGNF-KRWDZBQOSA-N 431.246 4.246 5 20 IIBD Cc1c(CC(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)nnn1-c1ccccc1 728167436 YCCBRXUHLSGDAY-UHFFFAOYSA-N 425.876 4.123 5 20 IIBD CSc1ccc(C(=O)Nc2cccc(OCCNC(=O)OC(C)(C)C)c2)cc1[N+](=O)[O-] 728259693 FUYUMIIXIMNDFI-UHFFFAOYSA-N 447.513 4.473 5 20 IIBD CCCNC(=O)Nc1cccc(OC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 729211972 IALCFXLLKGPXDK-UHFFFAOYSA-N 426.454 4.469 5 20 IIBD CCOc1cc(C(=O)OCc2nnc(-c3cccc(Cl)c3)o2)c([N+](=O)[O-])cc1OC 730292618 MTKIILCQOKTHLP-UHFFFAOYSA-N 433.804 4.063 5 20 IIBD C[C@@H](OC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1)C(=O)Nc1cccc([N+](=O)[O-])c1 730376537 GZLPUNXSSSDJFS-LLVKDONJSA-N 449.250 4.271 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)OCc1nc(Cc2cccc(Br)c2)no1 731503787 IITCCOVOQVCGIL-TWGQIWQCSA-N 444.241 4.088 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O 733841349 BLUXFTPCTBXLOY-AWEZNQCLSA-N 442.781 4.194 5 20 IIBD COc1ccc(CCN(CC(C)C)C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1OC 734394954 UDBLYTAEPLRJLF-UHFFFAOYSA-N 445.472 4.170 5 20 IIBD COc1cc(N2CCC(OC(=O)CCOc3c(C)cccc3C)CC2)ccc1[N+](=O)[O-] 739383723 BPJRERIBGJATNG-UHFFFAOYSA-N 428.485 4.201 5 20 IIBD CNc1ccc(C(=O)OC[C@H]2CCC(=O)N(C)[C@H]2c2cccc(Cl)c2)cc1[N+](=O)[O-] 740599603 FBLCMBWYENWVNS-QRWLVFNGSA-N 431.876 4.056 5 20 IIBD COc1ccc([C@@H]2[C@@H](C(=O)Nc3cc([N+](=O)[O-])c(Cl)cc3C)CCC(=O)N2C)cc1 741933872 BIIVJLXWZMGGQO-MGPUTAFESA-N 431.876 4.113 5 20 IIBD Cc1ccc(N2CCC[C@H](Nc3cnn(-c4ccc([N+](=O)[O-])cc4)c(=O)c3Cl)C2)cc1 742422166 UEFXAAXZJJZKHV-INIZCTEOSA-N 439.903 4.183 5 20 IIBD CN(C[C@@H]1CCCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)OC(C)(C)C 742887089 VFQZCDGRUVBMME-INIZCTEOSA-N 446.529 4.190 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(Cn3nc(Cc4ccccc4F)oc3=S)CC2)cc1 743390940 PPQZCCVNTOQFID-UHFFFAOYSA-N 444.488 4.345 5 20 IIBD C[C@H]1Cc2ccccc2N1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 743980809 CZOGVKWUWCDKOA-SFHVURJKSA-N 434.540 4.251 5 20 IIBD C[C@H](OC(=O)c1cn(C)nc1C1CCCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 744929499 NZKPCQCEECTREE-LBPRGKRZSA-N 434.880 4.213 5 20 IIBD COc1ccc2sc(C(=O)O[C@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c(C)c2c1 745341759 XLGZHELAKRZLMW-LLVKDONJSA-N 432.429 4.450 5 20 IIBD Cc1c(CC(=O)O[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)cccc1[N+](=O)[O-] 748472279 QTFDKOQFJVTTJT-SFHVURJKSA-N 432.476 4.283 5 20 IIBD O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 749911291 OVNBGDHAARRCRK-UHFFFAOYSA-N 442.686 4.153 5 20 IIBD CC[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H](O)c1c(F)cccc1F 752644607 QTKOTYFQQMGRFG-BLLLJJGKSA-N 431.342 4.108 5 20 IIBD O=C(N[C@H]1CCCC2(C1)OCCO2)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 753620489 BETMWTJOTOYNDK-INIZCTEOSA-N 432.860 4.456 5 20 IIBD O=C(OCc1cn2cc(Br)ccc2n1)c1cc([N+](=O)[O-])cc(Cl)c1F 754988317 MITYPIZJFUXUTF-UHFFFAOYSA-N 428.601 4.155 5 20 IIBD C[C@H](OC(=O)/C=C/c1ccc(Cl)nc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 758700102 XZLNVYSFQGPXNS-HTZNOQTFSA-N 443.765 4.246 5 20 IIBD COc1ccc(COc2c([N+](=O)[O-])cnc3ccc(Br)cc23)cc1[N+](=O)[O-] 758870521 ZXVRBXWYDQACTD-UHFFFAOYSA-N 434.202 4.401 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(NC(=O)c2ccco2)c1 760506254 ZLRAILBZPIMOMG-UHFFFAOYSA-N 433.376 4.452 5 20 IIBD CCCNC(=O)Nc1ccc(CC(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 760512270 VQBIYRSFJBPTBD-UHFFFAOYSA-N 438.440 4.067 5 20 IIBD C[C@@]1(C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCCN(C(=O)c2ccccc2)C1 760524256 BVKSJLXADHPWKU-XMMPIXPASA-N 449.463 4.236 5 20 IIBD CCc1ccc(-c2noc([C@@H](C)NC(=O)c3cc([N+](=O)[O-])ccc3Br)n2)cc1 760829623 OQFBICBCEUORFC-LLVKDONJSA-N 445.273 4.461 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(-c3nc(CCNc4ccccc4[N+](=O)[O-])no3)cs2)c1 761970987 WSXMEHWXJIXJND-UHFFFAOYSA-N 438.425 4.331 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 763714842 FFVPRODAQQDXIE-JTQLQIEISA-N 427.240 4.403 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1 764564174 RIWAOIYUJVAOFX-AWEZNQCLSA-N 447.532 4.298 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(CC[C@@H](O)c2ccccc2)c1 766324024 ZVCNNKDCCZKTRJ-HXUWFJFHSA-N 442.493 4.076 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1C[C@@H](c2ccccc2)c2ccccc21 767147147 YGULCVVMEGSEEL-QFIPXVFZSA-N 429.476 4.224 5 20 IIBD Cc1cc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)cc([N+](=O)[O-])c1F 768270717 WBAVCIMPOVAFKQ-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD C[C@@H](OC(=O)Cc1cc(Cl)ccc1Br)C(=O)Nc1ccccc1[N+](=O)[O-] 771392930 OSVIOKNNKJASJK-SNVBAGLBSA-N 441.665 4.124 5 20 IIBD CC(C)c1ncc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)s1 773198207 OZYMXBBTSOVFEY-SECBINFHSA-N 431.392 4.378 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1CC(=O)c1cccs1 778041898 UNAWQEGJPWYHMZ-GFCCVEGCSA-N 428.919 4.044 5 20 IIBD CCCc1[nH]nc(C(=O)N[C@@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)c1[N+](=O)[O-] 779353003 YVIQKPPEOQKOMD-MRXNPFEDSA-N 443.504 4.425 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2nnc(S)n2C2CC2)C1 780501435 KGOMMVRIBGEPDL-ZDUSSCGKSA-N 447.586 4.332 5 20 IIBD C[C@H](OC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1nc(-c2cccnc2)no1 781257103 POUYPSJGHSVCGR-NSHDSACASA-N 448.385 4.323 5 20 IIBD C[C@H](OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)N(C)Cc1cccc(F)c1 781260252 PWDFXGGLTHMTCY-HNNXBMFYSA-N 432.451 4.024 5 20 IIBD CN(C)c1ccc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C(F)(F)F)c1 781613499 HBTQBKNWIHRDDY-UHFFFAOYSA-N 426.351 4.159 5 20 IIBD O=C(Nc1ccc(CC[C@H](O)c2ccccc2)cc1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 782007715 ZXEPEIGJYXYQMA-BJKOFHAPSA-N 445.475 4.393 5 20 IIBD C[C@H](OC(=O)c1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1)c1cccc([N+](=O)[O-])c1 784853094 WRKDAERMKJPQBZ-HNAYVOBHSA-N 444.488 4.281 5 20 IIBD CCS(=O)(=O)CCCCCOc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1 788786230 XWSQJFRNBYTKAF-UHFFFAOYSA-N 445.493 4.352 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Oc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1 791573939 KUMOTSOBULPFQZ-KRWDZBQOSA-N 425.397 4.114 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 795710510 VPNPDKRPLPBVCD-AWEZNQCLSA-N 426.425 4.116 5 20 IIBD C[C@H](OC(=O)[C@H](C)[C@H]1OCCc2sccc21)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 796488542 GJLHRLCMKFTZIA-BWACUDIHSA-N 429.454 4.261 5 20 IIBD CC(C)[C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)c1cccnc1 797855185 RPASDVFJJHQYRI-IBGZPJMESA-N 436.434 4.097 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NS(=O)(=O)Cc1cccc(Cl)c1 799649282 UMDQARJBSBWPOS-UHFFFAOYSA-N 428.919 4.009 5 20 IIBD CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N 801936426 PCXKQUVFKSSUBG-UHFFFAOYSA-N 433.827 4.070 5 20 IIBD Cc1cc(S(=O)(=O)Oc2cccc3cc(Br)cnc23)cc([N+](=O)[O-])c1F 805123778 ASCNMQXCXVISBA-UHFFFAOYSA-N 441.234 4.121 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 806367611 PFQFRVMENIJTIM-SOLBZPMBSA-N 446.301 4.394 5 20 IIBD C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C[C@H](c2ccccc2)O1 809810027 IOBUSSXLSZLZOL-BDJLRTHQSA-N 431.297 4.052 5 20 IIBD CC(C)OCCCNC(=O)C1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 809936138 XCGXIELBZSSQNJ-UHFFFAOYSA-N 432.348 4.045 5 20 IIBD CS(=O)(=O)CC[C@H](C(=O)OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccccc1 811085532 QUBIWFINRLXIEF-HNNXBMFYSA-N 446.308 4.163 5 20 IIBD CC(=O)Nc1cccc(NC(=O)[C@H](C)OC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 811373767 NEOZLLGPFNBBBI-VIFPVBQESA-N 440.239 4.044 5 20 IIBD COc1ccccc1[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1noc(C)n1 812997089 ZRXSTMNILPDTNE-OAHLLOKOSA-N 437.239 4.121 5 20 IIBD Cc1cc(C)n2nc(SCc3ccccc3C(=O)Oc3cccc([N+](=O)[O-])c3)nc2n1 911779668 YEFPKVFSFJUOBO-UHFFFAOYSA-N 435.465 4.161 5 20 IIBD COc1cc(C(=O)O[C@H](C(=O)Nc2ccccc2Cl)C(C)C)c([N+](=O)[O-])cc1OC 915365906 PTZDPCKWGUAGRA-SFHVURJKSA-N 436.848 4.086 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N(CCC(C)C)C2CC2)cc1 916045546 FYKXQROWVCZJGM-UHFFFAOYSA-N 446.525 4.322 5 20 IIBD COc1cc(/C=C\C(=O)NCc2ccccc2[N+](=O)[O-])ccc1OCc1c(C)noc1C 916422969 VPYMGKHWGCFSMN-LUAWRHEFSA-N 437.452 4.117 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Oc1ccccc1I 916864581 YJJFCLVREAUJQS-SNVBAGLBSA-N 429.235 4.286 5 20 IIBD CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 917265087 SALSCVDYFFTLBE-UHFFFAOYSA-N 437.235 4.463 5 20 IIBD COc1ccc(-c2nc(C(=O)OCc3nc(-c4ccc([N+](=O)[O-])cc4)no3)cs2)cc1 919018086 VJYHARPRTCHJRR-UHFFFAOYSA-N 438.421 4.134 5 20 IIBD O=C(CCc1nccs1)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 919839486 BJDQWYMUUAJVPF-UHFFFAOYSA-N 431.857 4.495 5 20 IIBD O=C(NCC1(c2cccc(Cl)c2)CCCC1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 920198735 YMCHAXIXDKSWJG-UHFFFAOYSA-N 436.295 4.468 5 20 IIBD C[C@H](OC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1ccccc1[N+](=O)[O-] 920267956 LZKMZRDSPDUUDT-AWEZNQCLSA-N 444.440 4.453 5 20 IIBD Cc1cccc(-c2nnc([C@H](C)OC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)o2)c1 920554931 WERLPBNEGHNOSU-AWEZNQCLSA-N 433.424 4.272 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2csc(-c3ccccc3F)n2)c([N+](=O)[O-])c1 920729877 QWMYCOLRHRGPHM-NSHDSACASA-N 445.428 4.050 5 20 IIBD CCS(=O)(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c1 1318632863 QGVLMLPKGAASBR-UHFFFAOYSA-N 439.493 4.253 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCc2c1cccc2S(C)(=O)=O 1323491745 KNOUYNNTQOQQGU-UHFFFAOYSA-N 448.566 4.484 5 20 IIBD O=[N+]([O-])c1cc(F)cc(-c2nnc(-c3ccc(Cn4nnc(-c5ccccc5)n4)cc3)o2)c1 1346614308 QSNGQJGPMOWMIM-UHFFFAOYSA-N 443.398 4.153 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc(O)cc3)CCC2)cc1)c1ccc(O)c([N+](=O)[O-])c1 1790618526 AENTYGLVUNBUOA-UHFFFAOYSA-N 447.447 4.068 5 20 IIBD Cc1ncoc1C(=O)NC1(c2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2)CCC1 1790696540 GZYKLQLSLSQZIF-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3cccc(F)c3[N+](=O)[O-])cc2)CCC1)c1ccns1 1790698510 XAPHHXZXGVAMPN-UHFFFAOYSA-N 440.456 4.252 5 20 IIBD Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2ccccc2)C3)cc(Cl)cc1[N+](=O)[O-] 1800710147 VEVJTGYHBUWKJE-REPLKXPHSA-N 441.915 4.051 5 20 IIBD O=C(CCC1CCCC1)N1CCCC2(CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)C1 1808953559 IMTPKUNEIZTSMG-UHFFFAOYSA-N 443.544 4.116 5 20 IIBD CCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(C)c([N+](=O)[O-])c2)[nH]n1 1821938816 JQYIJKJRCUGVLO-GOSISDBHSA-N 441.532 4.297 5 20 IIBD CCCn1c(C)cc(C(=O)COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1C 11277746 DEVDCXWTAHENNV-UHFFFAOYSA-N 430.504 4.409 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)COC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1C 12016319 NCVZQOFAPGWMKL-CYBMUJFWSA-N 435.274 4.008 5 20 IIBD CC(C)c1ccc(-n2nnnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 15516621 LZJQOARTPKBIGQ-UHFFFAOYSA-N 432.893 4.078 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1cc(C)n(CCc2cccs2)c1C 19285070 XPGCRLZTTJIMDU-UHFFFAOYSA-N 442.493 4.366 5 20 IIBD COc1ccc(CCC(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 21451419 QVVJSCSZZZNIHD-GFCCVEGCSA-N 440.374 4.125 5 20 IIBD C[C@H](OC(=O)CSCc1cccc(Cl)c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 23882444 SSQBVNHFMAAPCI-NSHDSACASA-N 426.853 4.191 5 20 IIBD CC(C)c1ccc([C@H](NC(=O)Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)C(C)C)cc1 60826048 ZJBNHRCWYUXUDF-RUZDIDTESA-N 448.523 4.455 5 20 IIBD Cc1ccc(CNC(=O)c2nnc(CN(Cc3ccc([N+](=O)[O-])cc3)C(C)C)s2)cc1 63560046 IXOYLYSLQMZDQG-UHFFFAOYSA-N 439.541 4.095 5 20 IIBD C[C@H](OC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 104939153 HWCSLGJPAHALNE-LIRRHRJNSA-N 439.424 4.121 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-])c1ccccn1 108756924 NJQHEFLDFXAJCZ-SFHVURJKSA-N 431.496 4.125 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 109249340 YOPAARMZNRKRKA-QGZVFWFLSA-N 447.495 4.356 5 20 IIBD COc1ccc(S(=O)(=O)N[C@@H](C)c2sc(-c3ccccc3)nc2C)cc1[N+](=O)[O-] 195608485 WXMJBWDGJNNKQT-ZDUSSCGKSA-N 433.511 4.075 5 20 IIBD C[C@H](CNCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)CN1CCN(C)CC1 237577320 KOMAJPXKCBGGIP-QGZVFWFLSA-N 432.952 4.014 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)Nc1nc(-c2cccc(Br)c2)cs1 301606679 TXKHNBBCDTXSMJ-UHFFFAOYSA-N 434.271 4.498 5 20 IIBD O=[N+]([O-])c1cc(Br)cnc1N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 301667527 CULWGQBVAFNLLJ-GFCCVEGCSA-N 448.252 4.325 5 20 IIBD O=C(CSc1n[nH]c(-c2ccc3c(c2)CCC3)n1)Nc1ccc([N+](=O)[O-])cc1Cl 303954003 WNKJQCNNPZXMKB-UHFFFAOYSA-N 429.889 4.253 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 428594002 VTPWOXCXLCWENS-HNNXBMFYSA-N 433.892 4.494 5 20 IIBD COc1cc(CCNC(=O)Nc2ccccc2-c2csc(C)n2)c([N+](=O)[O-])cc1OC 433798277 FVQHWSIYWSKNCC-UHFFFAOYSA-N 442.497 4.408 5 20 IIBD O=C(Nc1cccc(CN2CCSCC2)c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 436234200 XBGUFXPPRMCFNH-UHFFFAOYSA-N 429.545 4.482 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@@H]1c1ncc(-c2ccccc2)[nH]1 439205424 MZERAGPZZIJLRV-LJQANCHMSA-N 426.498 4.209 5 20 IIBD CCc1ccc(C(=O)NC2(c3noc([C@H]4CCOC4)n3)CCCCCC2)cc1[N+](=O)[O-] 439945673 SLLHBHCBZCTISQ-KRWDZBQOSA-N 428.489 4.024 5 20 IIBD Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2I)cnn1CCC(C)C 441543436 IAKPRKIYDORJTR-UHFFFAOYSA-N 442.257 4.003 5 20 IIBD COC(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(OC(F)F)c1 443887561 WTUCRHFRBQEWPY-UHFFFAOYSA-N 434.273 4.254 5 20 IIBD CCCOc1ccc(NC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1OCCC 444824527 UHDQPHFCEOWDDA-UHFFFAOYSA-N 427.461 4.370 5 20 IIBD O=C(Cc1noc(/C=C/c2ccc(F)cc2[N+](=O)[O-])n1)Nc1ccccc1Br 445482421 PNMZBPMKESDWLP-SOFGYWHQSA-N 447.220 4.231 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccn(-c3ccccc3Cl)n2)c(C(F)(F)F)c1 446997115 QSGRXCNKBQVGHP-UHFFFAOYSA-N 446.794 4.254 5 20 IIBD C[C@@H]1N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cccs2)CCC12CCOCC2 461316597 VBQPTRIPCHNOFC-INIZCTEOSA-N 439.541 4.359 5 20 IIBD CC(C)OCc1nc([C@@H](C)NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)no1 461371558 HLTXPQMLFQCMFG-CQSZACIVSA-N 425.445 4.137 5 20 IIBD C[C@H](Nc1ccc([N+](=O)[O-])c(N)c1F)c1ccc(Br)cc1OCCCO 461984672 OPVZMHIODRJEJG-JTQLQIEISA-N 428.258 4.013 5 20 IIBD CN(CC(=O)Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1ccccc1[N+](=O)[O-] 463743407 DBDJQGVTFYPREY-UHFFFAOYSA-N 434.424 4.395 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)N(Cc1cccc(Br)c1)C1CCOCC1 468144448 AHDXBLQUZQNUCA-UHFFFAOYSA-N 433.302 4.487 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@@H](CN(C)CC3CC3)C2)c([N+](=O)[O-])c1 470979102 YKOLGJDMUWKWGJ-RDPSFJRHSA-N 436.556 4.247 5 20 IIBD Cc1nnc(-c2cc(F)ccc2NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])o1 471391984 TWANRNQBUYKJER-UHFFFAOYSA-N 440.309 4.286 5 20 IIBD COc1cccc([C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)c2cc(F)ccc2OC)c1 471456719 ATNSPWHTQUWRCZ-HSZRJFAPSA-N 440.427 4.036 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cc1SC 472392843 BRJBRNLBLLQDLK-NSHDSACASA-N 446.460 4.314 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 472732001 ZZWNNMPSNQFBJX-UHFFFAOYSA-N 426.231 4.170 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)c2cccc(-c3cnc4nc(O)n(C)c4c3)c2)cc1[N+](=O)[O-] 475242768 TUOMFFRTFOULNT-CQSZACIVSA-N 431.452 4.049 5 20 IIBD COC(=O)CN(C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1)C1CCCC1 475308114 LOJGXZVJQMFZQR-UHFFFAOYSA-N 435.527 4.069 5 20 IIBD COC(=O)[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C[C@@H]1C 475376901 ZKCAQKRXDGEBAU-SWLSCSKDSA-N 437.290 4.248 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1 475564187 IOOFWNMYGQZGSB-INIZCTEOSA-N 434.378 4.260 5 20 IIBD COc1ccc(CN(CCc2ccccn2)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 475568803 VQXXYSHSAXEHLC-UHFFFAOYSA-N 435.480 4.110 5 20 IIBD COc1cccc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2OC)c2cc(F)ccc2OC)c1 476245392 LSDWWAJMOZZHQV-NRFANRHFSA-N 440.427 4.279 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 479299668 ZIKUTCZNKAGMQA-HXUWFJFHSA-N 433.867 4.201 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 479495603 KPSFPUCDNARTMU-NWDGAFQWSA-N 427.379 4.180 5 20 IIBD C[C@]1(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCCC[C@@H]1O 480988814 OITLUCBFPGASHY-WIOPSUGQSA-N 448.523 4.047 5 20 IIBD Cc1c(CNC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] 481471736 AIQZZMAIWNMQAB-XLIONFOSSA-N 449.429 4.148 5 20 IIBD CC(C)(C)c1ccc(Oc2ccc(CNC[C@@H](CO)[C@H]3CCOC3)cc2[N+](=O)[O-])cc1 481817807 STMQIDXFMHIERD-OALUTQOASA-N 428.529 4.419 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 482384746 LEFZSUIJEXTMOM-HNNXBMFYSA-N 433.333 4.342 5 20 IIBD O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1sc(Br)cc1[N+](=O)[O-] 486137949 OGVJWBPCEAMOTA-DGCLKSJQSA-N 429.267 4.208 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1nc(-c2ccc(-n3cccn3)cc2)cs1 487540496 JTSVTNWFTFJILB-UHFFFAOYSA-N 434.481 4.345 5 20 IIBD CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 488002509 YJLGWFWSEZTEGW-KSSFIOAISA-N 449.960 4.286 5 20 IIBD COCCSc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1 488889726 IKNKHIRYIBBIRJ-LBPRGKRZSA-N 426.441 4.426 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(=O)n(Cc2ccccc2Cl)c1 491333846 QTHFULHFPRIAFP-UHFFFAOYSA-N 440.887 4.289 5 20 IIBD O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)Nc1ccccc1SC1CCCC1 498356451 STJKPXUHEZESGD-UHFFFAOYSA-N 428.514 4.067 5 20 IIBD CN1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)[C@@H]1c1ccc(Cl)c(F)c1 498391889 XMIMJPSVFCMGTL-QKKBWIMNSA-N 442.878 4.358 5 20 IIBD Cc1ccc(OCc2nnc(SCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)o2)cc1 504212679 XHULILCCYMJFNL-UHFFFAOYSA-N 425.426 4.208 5 20 IIBD CCC(C)(C)OCc1cccc(NC(=O)C(=O)N(C)CCc2ccccc2[N+](=O)[O-])c1C 506707132 VTGLYZXIIPQRET-UHFFFAOYSA-N 441.528 4.248 5 20 IIBD C[C@H]1CCCN(C(C)(C)CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 507514738 ZLPDNTCOZLUJJD-ROUUACIJSA-N 439.560 4.403 5 20 IIBD C[C@@H]1CN([C@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c2ccccc2)CCO1 510571523 OWTVMEBZDVQDME-QRWLVFNGSA-N 438.509 4.119 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@@H]2CCc3ccccc3OC2)cc1[N+](=O)[O-])c1ccccn1 511626608 OQWHVZYHFSTUIN-QFBILLFUSA-N 432.480 4.287 5 20 IIBD CN(CCOc1ccc(OCc2ccccc2)cc1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 511933385 YKNOAEIIXXNFHE-UHFFFAOYSA-N 446.463 4.201 5 20 IIBD CNS(=O)(=O)c1cc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)ccc1C 512617052 KJLOLTKRWMGNDN-UHFFFAOYSA-N 435.889 4.337 5 20 IIBD COc1ccc(C(=O)Nc2ccc(C(=O)N(C)CCc3cccc([N+](=O)[O-])c3)s2)cc1 512998495 MZCNPABYJUAMDH-UHFFFAOYSA-N 439.493 4.232 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccc(NC4CCOCC4)cc3)cc2)c(C)c1[N+](=O)[O-] 513063590 YWRIPPMTKRWIMK-UHFFFAOYSA-N 449.511 4.300 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 517578271 ZZSPMHNSRCECEH-OAHLLOKOSA-N 425.514 4.499 5 20 IIBD Cc1ccc(NC(=O)Nc2cccc3c2CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C3)cc1 518296391 SRQZWDDTEXNXHF-UHFFFAOYSA-N 445.479 4.209 5 20 IIBD Cc1c(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])nnn1-c1ccc(-c2ccccc2)cc1 518692266 CCYODQVWKXYPGW-UHFFFAOYSA-N 427.464 4.423 5 20 IIBD O=[N+]([O-])c1cccc(CS(=O)(=O)Cc2coc(-c3ccc(Br)cc3)n2)c1 518789725 XOLRTZBOLJJHLZ-UHFFFAOYSA-N 437.271 4.127 5 20 IIBD O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 518793195 DHIHRFJLBSJHTC-UHFFFAOYSA-N 440.872 4.129 5 20 IIBD COc1cc(C(=O)N[C@H]2CCN(C3CC3)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 519919612 IKAXJMVJNQZIMG-HNNXBMFYSA-N 431.876 4.016 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2ccc(-c3nccs3)cc2)c1 520362079 SNWRVOKHXDJZTH-UHFFFAOYSA-N 440.300 4.282 5 20 IIBD COc1cc(Br)cc(C)c1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 522872088 XBUOSEWXGRSBEM-UHFFFAOYSA-N 449.305 4.028 5 20 IIBD Cc1[nH]nc(C(=O)Nc2ccc(COc3ccc(Br)cc3)cc2)c1[N+](=O)[O-] 522924885 GWGFBJHLLJXCQC-UHFFFAOYSA-N 431.246 4.220 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCC2(c3ccccc3Br)CC2)cc1OC 525467807 YFOYESHWNOXRQP-UHFFFAOYSA-N 449.301 4.226 5 20 IIBD O=C(NCCOc1cccc(Cl)c1Cl)c1ccc(Br)cc1[N+](=O)[O-] 530710540 OCMGEFXDHUUHTD-UHFFFAOYSA-N 434.073 4.473 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cc(-c3ccncc3)nn2C)cc1 530854584 CIDKNOAGUJAYNF-UHFFFAOYSA-N 445.435 4.444 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccnn1[C@@H]1CCCc2ccccc21 535670658 WCPKHEUSVNDSIM-LJQANCHMSA-N 443.463 4.283 5 20 IIBD O=C(Nc1ccc(CC(=O)N2CCc3ccccc32)cc1)c1c[nH]c2cccc([N+](=O)[O-])c12 536482235 ORIKLFUVGGEKOF-UHFFFAOYSA-N 440.459 4.460 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2ccn(CCOC)c2c1 537761404 DQKBOUPFMAJCRD-UHFFFAOYSA-N 429.498 4.187 5 20 IIBD O=C(Nc1ccc2c(c1)ncn2-c1ccccc1)c1cccc([N+](=O)[O-])c1N1CCOCC1 539560420 POLZHDHZAIQDFZ-UHFFFAOYSA-N 443.463 4.023 5 20 IIBD O=C(NCCOc1ccc(C(F)(F)F)cc1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 540513113 FVYRRGSSDDGBIT-UHFFFAOYSA-N 431.370 4.484 5 20 IIBD O=C(CN1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1)Nc1ccc([N+](=O)[O-])cc1Cl 540862706 JAOKCFVVAIXXSV-HNNXBMFYSA-N 446.939 4.232 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cccc(-c4ncn(C)n4)c3)cc2[N+](=O)[O-])C1 541247142 RWRWZTOVVBRKPT-IYBDPMFKSA-N 434.500 4.125 5 20 IIBD COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 541385562 FTOOTNTUCFSLJY-XZOQPEGZSA-N 445.475 4.299 5 20 IIBD C[C@H](C(=O)NC(C)(C)COc1ccc(C(F)(F)F)cn1)c1ccc([N+](=O)[O-])cc1F 543455816 CVPWPZJDCAYBMI-NSHDSACASA-N 429.370 4.225 5 20 IIBD C[C@@H](CNC(=O)c1ccccc1)c1noc([C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n1 545037396 FSCFDAVSNQRDLL-STQMWFEESA-N 430.848 4.305 5 20 IIBD COc1cc(Cc2noc(-c3cccc(-n4ccc(C(F)(F)F)n4)c3)n2)ccc1[N+](=O)[O-] 545048756 UDCSNVXBBYUHMX-UHFFFAOYSA-N 445.357 4.449 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(I)c1C 545251233 FGXBPEPFJPFALF-UHFFFAOYSA-N 426.210 4.159 5 20 IIBD Cc1ccc(Sc2ccc(-c3nc([C@H]4CCS(=O)(=O)C4)no3)cc2[N+](=O)[O-])cc1 545702133 RIOFHNVLPAFCNX-AWEZNQCLSA-N 431.495 4.007 5 20 IIBD COC(=O)c1cc(-c2nc(Cc3ccc(Br)cc3C)no2)cc([N+](=O)[O-])c1 546492466 JPXJVPCRGPXVQE-UHFFFAOYSA-N 432.230 4.093 5 20 IIBD CNc1ccc(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)cc1[N+](=O)[O-] 546815288 AGMWCDMRTRGMLJ-UHFFFAOYSA-N 434.290 4.083 5 20 IIBD C[C@@H](C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1)c1cccc([N+](=O)[O-])c1 547746557 JCFKIRFWAPCJHX-CYBMUJFWSA-N 446.301 4.336 5 20 IIBD O=C(Nc1ccc(Cl)c(F)c1N1CCOCC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 549056140 GEDXBPVXPSJCBK-UHFFFAOYSA-N 448.882 4.420 5 20 IIBD CC[C@H](NC(=O)c1ccccc1)c1noc(CCOc2ccc(Cl)cc2[N+](=O)[O-])n1 554840325 UWMZEFDVNGJOHA-HNNXBMFYSA-N 430.848 4.134 5 20 IIBD Cc1ccc(CN[C@H](c2cccc([N+](=O)[O-])c2)c2nccn2C)c(OCC(F)(F)F)c1 556872552 ZGCQWPZUKWWHIU-LJQANCHMSA-N 434.418 4.457 5 20 IIBD CCc1nc(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])nn1-c1c(Cl)cccc1Cl 557075360 GXSBMMAFJGSWHW-UHFFFAOYSA-N 448.310 4.359 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(Cc1c(F)cccc1F)C1CCCC1 560686037 VAHYAVZZNFXAGB-UHFFFAOYSA-N 426.441 4.015 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CCC(OC[C@@H]2CCCO2)CC1 563524251 UHLNXXVOBUQYAZ-UYJHFMRCSA-N 431.514 4.411 5 20 IIBD COc1cc(C(=O)Nc2ccc(F)c(C(C)=O)c2)c([N+](=O)[O-])cc1OCc1cscn1 566684789 WVUXAUDRDTUFKN-UHFFFAOYSA-N 445.428 4.233 5 20 IIBD CCOc1ccc([C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])c2cccc(Cl)c2)cc1 569656695 OHSHKMKMLGYNJE-GOSISDBHSA-N 426.860 4.342 5 20 IIBD C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 572750992 SILPHZAQRFZIEM-ZDUSSCGKSA-N 438.513 4.184 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1 576197202 ZGLIAKRJXPSKFA-NEWSRXKRSA-N 442.947 4.029 5 20 IIBD CCOc1ccc(NC(=O)CNc2ccc(C(=O)NCC(C)C)c(Cl)c2)c([N+](=O)[O-])c1 604010430 IBWBKVCCGRDKSX-UHFFFAOYSA-N 448.907 4.083 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1 608874338 CKXVFLAEJBJYGZ-UHFFFAOYSA-N 439.859 4.336 5 20 IIBD Cc1ccc(CNC(=O)C2CCN(Cc3cc([N+](=O)[O-])ccc3OC(C)C)CC2)cc1F 609193287 XUEHWHOQNNHIJM-UHFFFAOYSA-N 443.519 4.358 5 20 IIBD C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccccc1NS(=O)(=O)c1cccs1 611112583 UCGDXSYXKHNFMN-LBPRGKRZSA-N 449.485 4.087 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3cc4c(C)cc(C)nc4s3)CC2)ccc1[N+](=O)[O-] 619522116 ZLIVLOQCFAKAMK-UHFFFAOYSA-N 440.525 4.182 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCO[C@@H](c2ccccc2Br)C1 725809068 MPSOBDQJROLCCX-LJQANCHMSA-N 448.317 4.068 5 20 IIBD O=C(COC(=O)c1ccccc1OCC1CC1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 725963594 AGBFXPQSISKSAT-UHFFFAOYSA-N 438.358 4.198 5 20 IIBD O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 727710898 NPMANMOPYZXDTB-UHFFFAOYSA-N 446.897 4.387 5 20 IIBD O=C(Nc1cccc(Br)c1)c1ccc(I)c([N+](=O)[O-])c1 727746157 CXRUTOFXCBCBQO-UHFFFAOYSA-N 447.026 4.214 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2csc3ccccc23)cc1OC 729958036 BOKLMLDEALMVHV-CYBMUJFWSA-N 430.482 4.334 5 20 IIBD CCc1ccc(-c2csc(NC(=O)COc3cc([N+](=O)[O-])c(C=O)cc3OC)n2)cc1 731638643 KLEABUIVAOOIJC-UHFFFAOYSA-N 441.465 4.119 5 20 IIBD CO[C@H](CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C(F)(F)F 733239410 CDYADPJZGZWECT-MRXNPFEDSA-N 431.798 4.167 5 20 IIBD COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1cc(F)ccc1[N+](=O)[O-] 734921937 IDRGEODCBMESHP-SFHVURJKSA-N 434.420 4.052 5 20 IIBD C[C@H](NC(=O)COC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 735150286 PMBYUGPLADLWPF-LBPRGKRZSA-N 441.267 4.091 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1Nc1ccc(OCC2CCOCC2)cc1 736604179 DBUQQIUKBOOHKX-UHFFFAOYSA-N 442.440 4.140 5 20 IIBD O=C1CN(Cc2ccc(OCc3ccccc3)cc2)[C@@H](c2cc(Cl)ccc2[N+](=O)[O-])N1 740003245 WDCGLSHLEFRDOC-QHCPKHFHSA-N 437.883 4.458 5 20 IIBD C[C@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)Oc1ccc(Br)cc1 742425441 LIWHLWUUCNRXMN-GFCCVEGCSA-N 436.262 4.193 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC(F)F 744534471 RLEQGQJZJSFGMK-SECBINFHSA-N 444.774 4.042 5 20 IIBD C[C@@H](OC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccccc1-c1ccccc1 748490031 SRNDVDYVCOOZMJ-QGZVFWFLSA-N 433.464 4.365 5 20 IIBD Cc1cccc([C@H](CC(=O)Oc2ccc(Cc3ccccc3)cc2[N+](=O)[O-])NC(N)=O)c1 749063528 CFLNIYASVASCHG-FQEVSTJZSA-N 433.464 4.199 5 20 IIBD CC(C)Oc1ccc(C(=O)COC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 749276617 FNPUXJPOENPTIU-UHFFFAOYSA-N 426.469 4.025 5 20 IIBD COC(=O)Nc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cc1 749568935 ZZYKWLRPWHAIJK-UHFFFAOYSA-N 428.626 4.441 5 20 IIBD Cc1cccnc1C(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 750524192 PZLASMXUSRNNDI-IBGZPJMESA-N 425.828 4.488 5 20 IIBD COc1cc(CNC[C@]2(O)CCc3ccccc32)c([N+](=O)[O-])cc1OCc1ccccc1 752121834 GIRZJGADTZSLHY-RUZDIDTESA-N 434.492 4.106 5 20 IIBD C[C@@H](C(=O)NCc1ccc(CCNC(=O)OC(C)(C)C)cc1)c1ccc([N+](=O)[O-])cc1F 754208050 BDLCVHCAVMVPQL-OAHLLOKOSA-N 445.491 4.221 5 20 IIBD O=[N+]([O-])c1cccc2c1CCN2Cn1nc(-c2ccncc2)n(Cc2ccco2)c1=S 754776523 MHNLDSGIBCXANY-UHFFFAOYSA-N 434.481 4.046 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N(CCCO)[C@@H]1CCc2ccccc21 755031257 ULGFYMPLQDNTDW-QGZVFWFLSA-N 434.290 4.261 5 20 IIBD C[C@H](OC(=O)c1ccc(CN2CCCC2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 755430919 OMDRTOZQDGYAKG-AWEZNQCLSA-N 431.876 4.028 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCCC[C@H]1C[C@H](O)c1ccccc1 755985369 YOMGZWVILVMJRV-UGKGYDQZSA-N 441.528 4.300 5 20 IIBD CNS(=O)(=O)c1ccc(Sc2ccc(NC(=O)OC(C)(C)C)cc2)c([N+](=O)[O-])c1 756957567 VMKBOSJNCXDXSL-UHFFFAOYSA-N 439.515 4.001 5 20 IIBD C[C@@H](OC(=O)c1cc(F)c(C(F)(F)F)c(F)c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 758859293 XQMHZKZNTNPNDJ-SSDOTTSWSA-N 436.264 4.215 5 20 IIBD O=C(O[C@@H]1CCCN(Cc2ccccc2)C1=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 760507592 ATVLHTNCWLRNCA-LJQANCHMSA-N 437.477 4.066 5 20 IIBD CC(C)(C)OC(=O)N1CCC(c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)CC1 762311018 YSKNSEVVSVWJPR-UHFFFAOYSA-N 427.461 4.164 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1cc2ccccc2nc1Br 762505613 VFVYKWIVHHESLS-UHFFFAOYSA-N 442.678 4.360 5 20 IIBD C[C@@H](OC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C(=O)Nc1cccc(Br)c1 762898368 MTJSLSVSQVZOIH-SNVBAGLBSA-N 432.230 4.023 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1c1noc(-c2cc(Br)cc([N+](=O)[O-])c2)n1 763349866 SMJIZKVMPCWPEB-CYBMUJFWSA-N 439.266 4.479 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 765076850 HPBINAHRCNXZCZ-VQTJNVASSA-N 435.524 4.306 5 20 IIBD COc1cccc(C(=O)N2CCCN(C(=O)OC(C)(C)C)c3ccccc32)c1[N+](=O)[O-] 766739654 USOLTSIBPLKYPG-UHFFFAOYSA-N 427.457 4.395 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccn(-c2ccc(F)cc2F)n1 766813772 HZQPBNTUXQJPOU-UHFFFAOYSA-N 426.335 4.071 5 20 IIBD O=C(NC[C@@H](Cc1cccc2ccccc12)C(=O)O)c1cc([N+](=O)[O-])ccc1N1CCCC1 767174846 RVIWLNJOKRXBQD-LJQANCHMSA-N 447.491 4.022 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)cs1 768888874 XMGDDVJQNWDYEL-CYBMUJFWSA-N 439.515 4.275 5 20 IIBD Cn1cc(CNc2ccc(N3CCCC3=O)c(Cl)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 770486278 ZYLJQWDZOUJHQH-UHFFFAOYSA-N 425.876 4.388 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCC[C@H](C[C@@H]3CCOC3)C2)c1=S 773258658 HXJSIZLDNWETPM-SJORKVTESA-N 431.562 4.105 5 20 IIBD Cc1nc(C(=O)O[C@@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])c2ccccn12 774366691 LNRUWGBHOCVXPP-KRWDZBQOSA-N 432.274 4.359 5 20 IIBD CCOC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)c1cc([N+](=O)[O-])ccc1Cl 776415231 JTKBGOCAKVZVKU-HXUWFJFHSA-N 426.856 4.306 5 20 IIBD O=C(OCc1csc(-c2ccc(F)cc2)n1)c1cccc([N+](=O)[O-])c1N1CCOCC1 776449925 GZKREOBPGMZVJE-UHFFFAOYSA-N 443.456 4.051 5 20 IIBD COc1cc(N2CCC(OC(=O)c3cccc(SC)c3[N+](=O)[O-])CC2)ccc1[N+](=O)[O-] 777320723 CGRFPCXENJMFKG-UHFFFAOYSA-N 447.469 4.059 5 20 IIBD C[C@@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@@H](OC1CCOCC1)c1ccccc1 778047936 ACJRQRXXBBDKKO-FOIQADDNSA-N 434.439 4.128 5 20 IIBD C[C@@H](OC(=O)[C@@H](F)Cc1ccccc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 778202898 IRTDKDLUPJFQMH-DYVFJYSZSA-N 443.456 4.169 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@@H](C)O1 778264738 RNFPWKGGRUOOEU-GASCZTMLSA-N 432.908 4.226 5 20 IIBD CCOc1cc(Cl)ccc1C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 778891904 CDLKFOLLUXIGIP-SNVBAGLBSA-N 427.240 4.484 5 20 IIBD CC(C)(C)OC(=O)N1CCCc2c(C(=O)NCCc3cccc([N+](=O)[O-])c3)cccc21 779037640 WLYHBXVICVQBOJ-UHFFFAOYSA-N 425.485 4.255 5 20 IIBD O=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1cccc([N+](=O)[O-])c1Br 782121619 PMHYCBXPJHLEQP-UHFFFAOYSA-N 427.258 4.284 5 20 IIBD CC(C)(C)OC(=O)NC(C)(C)c1noc(-c2ccc([N+](=O)[O-])cc2Br)n1 789783408 RXQXBWBKQUIAPO-UHFFFAOYSA-N 427.255 4.167 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 790272314 FAWNWPHQOZJPHS-MRXNPFEDSA-N 442.802 4.214 5 20 IIBD CC(C)c1c(NS(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])cnn1-c1ccc(Cl)cc1 790423427 ZPSLGJCBWIFMAG-UHFFFAOYSA-N 438.868 4.497 5 20 IIBD CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 791260484 BOIHSCBDRNGSRF-KRWDZBQOSA-N 442.903 4.101 5 20 IIBD COC1(CC(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCC1 791514849 VXQJDMIACPMWMQ-IBGZPJMESA-N 432.860 4.430 5 20 IIBD COc1ccc(OC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 792116532 LJZLDAXXFGNXER-SGTLLEGYSA-N 439.251 4.035 5 20 IIBD COc1ccc(OC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 792124697 WWSHJJWBQWNIRT-ZDUSSCGKSA-N 438.396 4.299 5 20 IIBD CCc1nc2c(s1)[C@H](N(C)C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)CCC2 793049500 FURIHTSFADESKW-MRXNPFEDSA-N 444.557 4.386 5 20 IIBD CCn1nc(C)c([N+](=O)[O-])c1NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F 795082456 YTDFNFKKLAYTJK-AWEZNQCLSA-N 426.317 4.000 5 20 IIBD C[C@@H](C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1OCCc2sccc21 796486051 DUNZJSUENCMSJO-HWPZZCPQSA-N 426.288 4.412 5 20 IIBD CN(CC(=O)O[C@H](c1ncccn1)C1CCCC1)c1cc(Br)ccc1[N+](=O)[O-] 797142732 DOKHLXMPQDOKEG-SFHVURJKSA-N 449.305 4.058 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCOC[C@H]1c1nc2ccccc2s1 800232703 LWGPYFVOQUMPAA-INIZCTEOSA-N 435.864 4.140 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCC(C)(C)c1ccc(OCC(C)C)cc1 800604861 WOLJIDNYYVARLG-UHFFFAOYSA-N 445.491 4.110 5 20 IIBD CCc1ccc(N2CCN(C(=O)c3cc(O)nc4ccc([N+](=O)[O-])cc34)CC2)cc1Cl 804192538 CQXUEEZZIDSWCS-UHFFFAOYSA-N 440.887 4.027 5 20 IIBD O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 806219253 MPWWJFLBDDKNJN-ZDUSSCGKSA-N 435.305 4.070 5 20 IIBD CC(C)(c1noc(Cn2ncc3ccc([N+](=O)[O-])cc32)n1)c1ccccc1Br 810338086 MTHGNGHFCPOQPE-UHFFFAOYSA-N 442.273 4.464 5 20 IIBD CCOC(=O)/C(=C/c1cc(I)cc([N+](=O)[O-])c1)c1ncccc1C 811690581 FDCVPUFGFGQIOU-OQLLNIDSSA-N 438.221 4.007 5 20 IIBD O=C1NC2(CCCC2)C(=O)N1c1cccc(CNc2nc3ccc([N+](=O)[O-])cc3s2)c1 811859240 OROLKOCVWCDUCE-UHFFFAOYSA-N 437.481 4.186 5 20 IIBD CN(C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 813083804 XJEJIEBAMAHDJG-ZDUSSCGKSA-N 449.699 4.156 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)NCc2cccc(-c3nc(CC(F)(F)F)no3)c2)c1F 813255978 XTDJDPNXSGECSV-UHFFFAOYSA-N 438.337 4.127 5 20 IIBD Cc1c(C(=O)Nc2ccnc(N3CCc4ccccc4C3)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 816841535 IDXJHSSKSIURRW-UHFFFAOYSA-N 447.451 4.330 5 20 IIBD COc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)o1 849210508 MVAIRGFWWGSSDW-SNVBAGLBSA-N 434.861 4.426 5 20 IIBD CCOc1ccc(N2C(=O)/C(=C\Nc3ncc([N+](=O)[O-])s3)c3ccccc3C2=O)cc1 912745089 UESBJLPMNLOOAW-BOPFTXTBSA-N 436.449 4.090 5 20 IIBD O=C(COC(=O)Cc1ccc(-n2cccc2)cc1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 914975985 OYZPUSMMJVSCJF-UHFFFAOYSA-N 447.369 4.129 5 20 IIBD O=C(COC(=O)CCOc1cccc([N+](=O)[O-])c1)Nc1cc(C(F)(F)F)ccc1Cl 915450770 MOCATQIQQXTOBD-UHFFFAOYSA-N 446.765 4.218 5 20 IIBD COc1cc(COC(=O)[C@@H](C)Oc2ccc3c(c2)CCC3)c([N+](=O)[O-])cc1OC(F)F 915480719 GQTAOZXFVWXKAM-GFCCVEGCSA-N 437.395 4.204 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ccccc2-n2cccn2)cc1)c1cccc([N+](=O)[O-])c1 916037301 WJTLSLCMGUCPEC-UHFFFAOYSA-N 428.404 4.252 5 20 IIBD O=C(O[C@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc(Br)c([N+](=O)[O-])c1 916665086 PZZWJAHCEWLMNS-SFHVURJKSA-N 447.285 4.268 5 20 IIBD C[C@@H](OC(=O)/C=C\c1ccsc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 917950733 ZDECCEQGKZUYCY-FOQNGQEVSA-N 429.479 4.363 5 20 IIBD Cc1ccc([C@@H](C)N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c(C)c1 918194158 AXCJQGWSLSBGRJ-CYBMUJFWSA-N 427.320 4.356 5 20 IIBD Cn1cc(C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 919698667 VHWVBQDEHQHQRO-UHFFFAOYSA-N 439.859 4.028 5 20 IIBD O=C(NCCc1cc(Br)ccc1F)c1ccc(Br)c([N+](=O)[O-])c1 920883921 ZUAPONVWYOBSGH-UHFFFAOYSA-N 446.070 4.231 5 20 IIBD C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1OCc1ccccc1 921000933 IIYDXOBYBJFLOA-HOCLYGCPSA-N 434.876 4.350 5 20 IIBD CCCN(Cc1nc(O)c2sccc2n1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 1325038967 VCIOFZSAOCZROI-UHFFFAOYSA-N 449.920 4.123 5 20 IIBD COCCO[C@H](C)c1nnc(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)o1 1325792641 XUAJDAGZJNGQJB-MRXNPFEDSA-N 449.467 4.145 5 20 IIBD Cc1ccccc1-c1nnc(-c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)o1 1331963537 XBOLFLAQHCDLAB-UHFFFAOYSA-N 437.433 4.388 5 20 IIBD O=[N+]([O-])c1ccc(CSc2nnc(NCC(F)(F)F)s2)c(Br)c1 1338301616 HYGKXJOKFAJZTJ-UHFFFAOYSA-N 429.243 4.475 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc(F)s3)cc2)CCC1)c1ccc([N+](=O)[O-])[nH]1 1786978358 ZAOJSNIOASGHAA-UHFFFAOYSA-N 428.445 4.185 5 20 IIBD CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(F)cc([N+](=O)[O-])c3)[nH]n2)CCCC1 1814531208 LXPIESRDJNIXHP-SFHVURJKSA-N 443.479 4.343 5 20 IIBD Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)[nH]n2)cc1C 1820536451 IUPLDVORZDDRPL-QGZVFWFLSA-N 437.456 4.147 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2Cl)CC1 1829893172 OGCPXRQECJORSB-SFHVURJKSA-N 445.903 4.388 5 20 IIBD O=C(c1cccc(F)c1[N+](=O)[O-])N1CCC([C@H]2CCCCN2C(=O)[C@H]2CC=CCC2)CC1 1830280715 RRQKTSPPODCHDO-GHTZIAJQSA-N 443.519 4.324 5 20 IIBD C[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1)c1cccs1 1832147416 RDXGRBPESJUWAX-CRAIPNDOSA-N 444.557 4.021 5 20 IIBD CCOc1ccc(CN(C)C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 9878490 IDCGDPOYZWXAMZ-UHFFFAOYSA-N 440.422 4.266 5 20 IIBD CC(=O)Nc1ccc(-c2csc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)c(F)c1 10966048 HTSQMPBRDRHNBU-RUDMXATFSA-N 426.429 4.468 5 20 IIBD C[C@H](OC(=O)CCNc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1Cl 11311610 PNWZFDAGZYVKCC-NSHDSACASA-N 426.256 4.274 5 20 IIBD Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)OCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 11393027 YHDDXRCLCPGRRQ-UHFFFAOYSA-N 445.884 4.500 5 20 IIBD O=Cc1ccc(OCC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)c([N+](=O)[O-])c1 11642261 VZKVMGAWBBURMW-UHFFFAOYSA-N 447.163 4.206 5 20 IIBD C[C@H](OC(=O)CSc1ccc(F)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 17834657 XLYZBKLWWHITAU-VIFPVBQESA-N 430.816 4.189 5 20 IIBD C[C@@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)Nc1ccccc1[N+](=O)[O-] 22253885 UXGHIGBZJNMBPM-CYBMUJFWSA-N 434.477 4.114 5 20 IIBD COc1cc(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc(OC)c1OC 28873761 XGAMGZHPBZDIJM-SNVBAGLBSA-N 443.378 4.079 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cc(Br)ccc1Br 31950629 WCWUNQDCYTWNKD-UHFFFAOYSA-N 430.052 4.137 5 20 IIBD O=C(CN(Cc1ccccc1F)C(=O)c1ccc([N+](=O)[O-])s1)Nc1ccccc1F 58494126 YPPHCFGMOIHHNL-UHFFFAOYSA-N 431.420 4.216 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCOc1cccc(Br)c1 59851626 YSYILBXCEWTGMM-LBPRGKRZSA-N 425.304 4.033 5 20 IIBD Cc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)c2[nH]ncc12 63713899 BDMOISKSKKAWCI-UHFFFAOYSA-N 443.463 4.329 5 20 IIBD C[C@@H](Sc1ccc(C(=O)N2CCCC2)cn1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 105650989 KDVKJAOWFSFWMK-CYBMUJFWSA-N 425.470 4.129 5 20 IIBD CC(C)NC(=O)c1ccc(N[C@H](C)c2cc(F)ccc2N2CCC(O)CC2)c([N+](=O)[O-])c1 301995251 SDKDBYAPBBJLGY-OAHLLOKOSA-N 444.507 4.006 5 20 IIBD CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc([N+](=O)[O-])c[nH]1)N(C)C 410093122 ASVAYZOOKSMXMX-GOSISDBHSA-N 427.332 4.458 5 20 IIBD O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 410171349 LEPZARBONXRDFN-UHFFFAOYSA-N 428.338 4.300 5 20 IIBD C[C@H](c1ccsc1)N1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 426268570 SWGJVCCANRJDCQ-CYBMUJFWSA-N 442.463 4.264 5 20 IIBD CN(c1ccccc1)c1ccc(CNC[C@@H](Oc2ccc(F)cc2)C(=O)O)cc1[N+](=O)[O-] 426642739 KUMUDHFUBXCOHN-JOCHJYFZSA-N 439.443 4.124 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C(C)C 427108722 DLPKSLKLCBEBQE-UHFFFAOYSA-N 430.848 4.358 5 20 IIBD CN(CC(=O)O)C(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 427745381 WZQRUVOAHQWAIB-FOWTUZBSSA-N 431.448 4.177 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2cccc(C)c2)C(C)(C)C)cc1OC 427940729 XNERPAHEYCQVTC-NRFANRHFSA-N 430.501 4.454 5 20 IIBD O=C(N[C@H]1CCC[C@H]1OCc1ccccc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 430859333 HZXDXRAPIBGIDL-PKOBYXMFSA-N 438.402 4.404 5 20 IIBD O=C(Cn1cc(Cl)cc([N+](=O)[O-])c1=O)Nc1ccc(Oc2ccccc2Cl)cc1 432232233 LCQFTCTWMWUMPY-UHFFFAOYSA-N 434.235 4.494 5 20 IIBD O=C(Nc1cccnc1)c1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 432806286 SFSBKYSDPOMWKH-UHFFFAOYSA-N 441.241 4.257 5 20 IIBD CCNC(=O)c1ccc(C)c(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 436077731 OUOCZJCJFVSJOS-UHFFFAOYSA-N 435.430 4.270 5 20 IIBD O=C(c1ccc(O)c([N+](=O)[O-])c1)N(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 436866081 WLCIOVBDDVTJPA-QFIPXVFZSA-N 446.507 4.002 5 20 IIBD COc1cc(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 440914786 NXKPCXSKBYRYLN-CZUORRHYSA-N 445.903 4.404 5 20 IIBD CCN([C@@H](c1ccc(Cl)cc1)c1cccnc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 443005769 YUTPZOTUUZMPAA-FQEVSTJZSA-N 431.901 4.443 5 20 IIBD Cc1nn(-c2ccccc2)cc1CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444301901 OQKBCNNYDRMUPP-UHFFFAOYSA-N 426.451 4.245 5 20 IIBD COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 444599641 UZFVWAWBGWGVMK-UHFFFAOYSA-N 449.894 4.054 5 20 IIBD Cc1ccc2sc(C(=O)N3CCN(C(=O)c4ccc([N+](=O)[O-])s4)CC3)c(C)c2c1 445213758 TYCHPTRTFVOVFL-UHFFFAOYSA-N 429.523 4.086 5 20 IIBD COc1ccc(NC(=O)Cc2noc([C@@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)cc1OC 445374182 WMLOACDLFMCWLD-GFCCVEGCSA-N 444.469 4.030 5 20 IIBD C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1cccc(OC(F)F)c1 445823387 DOPUMLDNYGXXND-SNVBAGLBSA-N 429.217 4.379 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 460533792 YLDIIRJBQNPYFN-RTBURBONSA-N 443.504 4.089 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CCO)c1ccccc1Br 462759119 WPYOXBBOWDEPFB-KXBFYZLASA-N 435.318 4.166 5 20 IIBD C[C@@H](NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c2ccccc12 462848050 LNOUOYBMQWHUHB-CQSZACIVSA-N 440.887 4.078 5 20 IIBD COc1ccc([C@H](Nc2ccc([N+](=O)[O-])c(OC)c2)c2cccc(S(C)(=O)=O)c2)cc1 462945165 MAZAYKDFSCTLSU-QFIPXVFZSA-N 442.493 4.217 5 20 IIBD CCC(C)(C)NC(=O)c1ccc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])cc1Cl 463290640 XAECQYNIVAECAI-UHFFFAOYSA-N 432.908 4.242 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N(CCCOc1ccccc1)C1CCOCC1 463857126 FZWUFWUMMOKFMU-UHFFFAOYSA-N 437.496 4.095 5 20 IIBD Cc1ccc(NC(=O)CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(Br)c1 464783699 OOAKBVFETVJPQM-UHFFFAOYSA-N 448.317 4.148 5 20 IIBD O=C(NCC1(Sc2ccccc2)CC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465882908 YBIFBCJMVKNPFI-UHFFFAOYSA-N 427.526 4.473 5 20 IIBD CC[C@H]1Oc2cc([C@H](C)N=c3cc(C)[nH]c(-c4ccc([N+](=O)[O-])cc4)n3)ccc2NC1=O 467012997 LFQXKESBFQHWBU-IFXJQAMLSA-N 433.468 4.065 5 20 IIBD CC(C)c1ccc(C(=O)NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)cc1[N+](=O)[O-] 470422631 RDTMRZBNADDMSH-UHFFFAOYSA-N 444.431 4.071 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(c2ccc3ccccc3n2)CC1 471198664 GZVRMNYTVAZOOA-MRXNPFEDSA-N 430.468 4.076 5 20 IIBD COc1ccccc1[C@@H](CC(C)C)NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 471451730 OMOBWGMNGNMOAB-GOSISDBHSA-N 441.484 4.195 5 20 IIBD O=C1CCCC[C@H]1[C@@H]1CCCN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 471939344 CSWNYFYLNPPHLB-HOCLYGCPSA-N 427.423 4.166 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@@H](C)c3noc(-c4ccccc4)n3)cc2[N+](=O)[O-])CC1 472687118 QPEPTCLDTXSTPO-INIZCTEOSA-N 435.484 4.372 5 20 IIBD CCOc1cc(NC(=O)N(C)[C@H](C)c2ccc([S@](C)=O)cc2)c([N+](=O)[O-])cc1OCC 473644361 UXFMMIATSYCQCM-YSVRNHBLSA-N 449.529 4.355 5 20 IIBD O=C(Nc1cccc(N2C(=O)CCCC2=O)c1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 473651296 VNQCDEHPWJGYDR-UHFFFAOYSA-N 443.434 4.116 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O 475562969 ARNSZWOLFMUKKO-AWEZNQCLSA-N 436.390 4.157 5 20 IIBD CC(C)C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 479051158 CRSONEFGLHETMV-CNDZOEFASA-N 426.517 4.486 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 480195426 HKPDCWKCQJZNOP-JOYOIKCWSA-N 448.829 4.269 5 20 IIBD Cc1c([C@@H](C)NCc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)cccc1[N+](=O)[O-] 481299030 KJGHGPFMVWRBPV-SJLPKXTDSA-N 431.558 4.175 5 20 IIBD COc1ncccc1Cc1noc(-c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1 482736523 XDWXIELKAATYGD-CQSZACIVSA-N 432.440 4.207 5 20 IIBD COc1cc(CN[C@H](CO)c2c(Cl)cccc2Cl)c([N+](=O)[O-])cc1OC(F)F 483226702 HLGNYEIGVWUEDZ-GFCCVEGCSA-N 437.226 4.335 5 20 IIBD CNC(=O)c1ccc(NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])nc1 485883931 QJVHSSPGZTUUPD-UHFFFAOYSA-N 442.884 4.406 5 20 IIBD C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1sc(Br)cc1[N+](=O)[O-] 486186386 BBIQNYZSPGJHTG-OCCSQVGLSA-N 438.347 4.059 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1(c2ccc(F)cc2)CCOCC1 486702221 MZGTUAVGHZPOFD-UHFFFAOYSA-N 426.366 4.117 5 20 IIBD Cc1c(C(=O)N2CCN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC2)sc2ccccc12 486981342 NSPSLKJOSGYTON-UHFFFAOYSA-N 449.492 4.130 5 20 IIBD CC(=O)c1ccc(Oc2ccc(C(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)cc2)cc1 487030429 IQBYLEJABFKUBJ-UHFFFAOYSA-N 434.452 4.264 5 20 IIBD COc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(I)c1 487606098 JUKTYRRHVXLCLU-UHFFFAOYSA-N 438.177 4.207 5 20 IIBD Cc1ccc([C@@H]2C[C@H](C)N(C(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)C2)cc1 489983104 MSOBLRCFZBECFQ-ZEYPLWLESA-N 435.524 4.221 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cc2c(cc1F)NC(=O)CC2 492632098 RPKWTVJJDCMXQK-UHFFFAOYSA-N 440.353 4.078 5 20 IIBD CCOC(=O)C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(F)cc1 495499873 PMUWWMSCQXKWAW-QGZVFWFLSA-N 443.456 4.282 5 20 IIBD CS(=O)(=O)c1cccc(Sc2nnc(-c3ccc4ccccc4c3)o2)c1[N+](=O)[O-] 497516866 KNLCCSSFXXELRK-UHFFFAOYSA-N 427.463 4.353 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N(C)CCC(F)(F)F)c([N+](=O)[O-])c2)c(C)c1 498980512 ZJMHMDKJMIYKCE-UHFFFAOYSA-N 431.436 4.401 5 20 IIBD COc1cc(C(=O)N(C)c2ccc(Br)cc2F)c([N+](=O)[O-])cc1OC(F)F 501556780 GIDJXZWARBJPLN-UHFFFAOYSA-N 449.179 4.383 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 501597007 SNIGXWPEENFWEE-ZFWWWQNUSA-N 438.509 4.022 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1 503036894 YGPGWEXCGWBRBA-FQEVSTJZSA-N 447.532 4.039 5 20 IIBD COC(=O)Cc1ccc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 506085003 HOWGZNLJINWYGU-HNNXBMFYSA-N 434.452 4.131 5 20 IIBD CCC[C@H](NC(=O)Nc1cc(OCC)c(OCC)cc1[N+](=O)[O-])c1nnc2ccccn12 506119748 AEGHZFFCUHSESO-AWEZNQCLSA-N 442.476 4.098 5 20 IIBD Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2c2nc(-c3ccc([N+](=O)[O-])cc3)no2)c(C)c1 508020195 DIXXBMARSXZOHA-SFHVURJKSA-N 442.497 4.096 5 20 IIBD CC[C@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1cccc(Cl)c1 508749248 UYAXPAKITKEMFG-HNNXBMFYSA-N 431.905 4.409 5 20 IIBD COc1cc(C(=O)NCc2ccc(Cl)s2)c([N+](=O)[O-])cc1OCc1cscn1 509912468 HNSQSIRNUGHQMZ-UHFFFAOYSA-N 439.902 4.284 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3C[C@H](C)O[C@H](c4ccccc4)C3)cc2)c(C)c1[N+](=O)[O-] 517931947 AULGZCGYFJWMOA-AOMKIAJQSA-N 434.496 4.059 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](c2ccc(Br)cc2)C1 518616585 IEEUZWGYAQGUSV-KRWDZBQOSA-N 437.315 4.050 5 20 IIBD Cc1cc(CNC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c2[nH]c(C)c(C)c2c1 518923713 GMHMXBUYUBOZHF-UHFFFAOYSA-N 436.468 4.006 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1N(C)Cc1ccccc1 520286765 WWBPBZLRBWZRRP-UHFFFAOYSA-N 427.482 4.041 5 20 IIBD CN(c1ccccc1)c1ccc(CNCc2ccccc2CN2CCOCC2)cc1[N+](=O)[O-] 520953705 VEFXPFWCKYZWCZ-UHFFFAOYSA-N 446.551 4.485 5 20 IIBD O=[N+]([O-])c1ccc(NCC2(Sc3ccccc3)CC2)c(S(=O)(=O)N2CCCC2)c1 521350441 WSKFCBOJKPEJAP-UHFFFAOYSA-N 433.555 4.116 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)cc1OC 521533860 NGYLNRVPRWCUBI-NRFANRHFSA-N 432.448 4.039 5 20 IIBD Cc1cccc(C(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)c1[N+](=O)[O-] 522388911 YJIINDIHRLGAAP-UHFFFAOYSA-N 446.301 4.157 5 20 IIBD Cc1ccc(Sc2ncccc2C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1C 522856813 VOWRXUPQFZKYKK-KRWDZBQOSA-N 449.536 4.479 5 20 IIBD Cc1ccc(CSCCNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)cc1 523298890 MBKDCJBFZHGSHU-UHFFFAOYSA-N 430.917 4.448 5 20 IIBD CCOC(=O)[C@@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc21 527082853 FRLDJXGLGZUICN-OAHLLOKOSA-N 434.901 4.424 5 20 IIBD O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCCc2c1cccc2[N+](=O)[O-] 532801983 ISMBCWJPFQTZBV-UHFFFAOYSA-N 434.418 4.204 5 20 IIBD C[C@H]1Oc2ccc(C(=O)C3CCN(Cc4ccc(Cl)cc4[N+](=O)[O-])CC3)cc2NC1=O 533371322 FNFSABXNPJQSPS-CYBMUJFWSA-N 443.887 4.063 5 20 IIBD COc1cc(OCC(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)ccc1[N+](=O)[O-] 534732568 VDHMKITVNLQIKE-UHFFFAOYSA-N 447.900 4.118 5 20 IIBD CN1CC[C@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@@H]1c1ccc(Cl)c(F)c1 534975721 ITTXWZAHHGNOHX-SZNDQCEHSA-N 432.883 4.377 5 20 IIBD Cc1nc(CN2CCN(Cc3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)CC2)no1 536675624 BPSOSQQRJQFIPT-UHFFFAOYSA-N 443.891 4.050 5 20 IIBD COc1ccc([C@H](CN2CCCC2)NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])cc1 540567203 DLLHPWWOWVHLNL-QFIPXVFZSA-N 446.507 4.232 5 20 IIBD Cc1csc([C@H](C)CNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)n1 542582557 JGYPFSDPQVGVDA-SECBINFHSA-N 440.312 4.386 5 20 IIBD C[C@@H](CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1nccs1 544475670 XQMNRMJGOVPZGG-VIFPVBQESA-N 426.285 4.077 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)n2)cc1F 545121365 OTEZUMXJDVKKJN-GFCCVEGCSA-N 430.411 4.386 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1CCN(C(=O)C2CC2)CC1 547354869 HTPMWMJJRQOHNF-UHFFFAOYSA-N 445.928 4.094 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 547371807 UVNJQKMRQRKTFX-UHFFFAOYSA-N 445.431 4.042 5 20 IIBD COc1ccc(CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H](C)C2CC2)c(OC)c1 549178274 QRMRDVPITYEFBN-HNNXBMFYSA-N 428.485 4.279 5 20 IIBD Cc1nnsc1CNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 553524053 FFMWFHZPFPYMPJ-UHFFFAOYSA-N 443.535 4.446 5 20 IIBD Cc1c(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])nnn1Cc1ccccc1F 558907668 SHBGARVRWHOISX-UHFFFAOYSA-N 435.868 4.066 5 20 IIBD COc1ccc([C@H](CN2CCCC2)NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 560699504 DMGLZKYIVIJTHY-KKSFZXQISA-N 429.542 4.037 5 20 IIBD O=C(Nc1cncc(Cl)c1Br)c1ccc(Br)cc1[N+](=O)[O-] 564170014 JZOZUVSUNQJRHP-UHFFFAOYSA-N 435.459 4.421 5 20 IIBD COC(=O)c1nc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])sc1C(C)C 564257062 QYALTHFLJYEUBT-UHFFFAOYSA-N 434.293 4.038 5 20 IIBD COc1ccc(-c2nsc(NC(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 573290007 SADWEDHEPFRDAR-UHFFFAOYSA-N 433.877 4.140 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])c1nnc(Cc2ccsc2)n1C[C@@H]1CCCCO1 582619770 SZIAIXGWHSQHTB-SFHVURJKSA-N 427.530 4.044 5 20 IIBD COC[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(Cl)c1 583714999 OMIWKWSVFLJVOZ-INIZCTEOSA-N 431.798 4.454 5 20 IIBD COCCN(C(=O)COc1cccc(Cl)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603461435 SVKUARCKCRPFSI-UHFFFAOYSA-N 447.900 4.430 5 20 IIBD COc1ccc(CSCC(=O)NCc2ccccc2OC(F)(F)F)cc1[N+](=O)[O-] 603565945 HKPHFRKZDZXXLD-UHFFFAOYSA-N 430.404 4.052 5 20 IIBD O=C(NCc1ccccc1OC(F)(F)F)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 603685570 CERJIXRKSJULTH-UHFFFAOYSA-N 438.280 4.365 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c(Cl)c1 604033415 NILZISXNLFQZOL-UHFFFAOYSA-N 435.864 4.347 5 20 IIBD C[C@@H](C[C@H]1CCCO1)NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 608819952 MKSRWCQNOPAFGL-HTAPYJJXSA-N 434.496 4.064 5 20 IIBD Cc1ccc(CCC2CCN(C(=O)Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)cc1 608869852 SSUSXQUWUVHCEK-UHFFFAOYSA-N 433.512 4.033 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NC[C@@H](O)COc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 608974682 XUIVVDVKMBFUDM-LJQANCHMSA-N 439.443 4.146 5 20 IIBD COC(=O)c1sc2ccccc2c1CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 609119662 JSKOZLIFPCCYIR-LBPRGKRZSA-N 430.507 4.393 5 20 IIBD CS(=O)(=O)c1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)cc1 609602718 UTCHDHWTEOCPKN-UHFFFAOYSA-N 437.886 4.028 5 20 IIBD Cc1noc2ncc(S(=O)(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc12 609761603 UDGBOHCBXWRYSJ-UHFFFAOYSA-N 426.410 4.033 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 609787734 WFXZDMLMDOOCBE-UHFFFAOYSA-N 436.855 4.027 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 609847475 MUWHEYLGWJAPFA-AWEZNQCLSA-N 432.481 4.037 5 20 IIBD CCCOc1cc(NC(=O)c2cc(-n3cccn3)ccn2)c([N+](=O)[O-])cc1OCCC 609853794 MONLJVLAYSYUAV-UHFFFAOYSA-N 425.445 4.005 5 20 IIBD O=[N+]([O-])c1cccc2c1CCN2S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 610005367 NBIURPXBRXEVNT-UHFFFAOYSA-N 440.321 4.384 5 20 IIBD Cn1cnc([N+](=O)[O-])c1Sc1nc2scc(C3CC3)c2c(=O)n1-c1ccccc1 610318743 VDHAZUJXRORRQX-UHFFFAOYSA-N 425.495 4.118 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2Br)c(F)c1 610679607 RNDKZQZDFDKFKI-OAHLLOKOSA-N 429.267 4.022 5 20 IIBD O=C(c1cc(N2CCc3sc(Br)cc3C2)ccc1[N+](=O)[O-])N1CCCC1 610929713 KXVKLNOFTQFMRA-UHFFFAOYSA-N 436.331 4.218 5 20 IIBD CC(=O)N[C@H]1Cc2ccccc2N(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 610985316 KCMWYOCXQVQOFZ-SFHVURJKSA-N 447.516 4.454 5 20 IIBD COC(=O)c1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cc1 611199005 HNCLXYHGZVXBCW-UHFFFAOYSA-N 428.510 4.389 5 20 IIBD COC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc(C(F)(F)F)c1 611523281 KDVZZZNCOQGRAB-AWEZNQCLSA-N 434.317 4.333 5 20 IIBD CCOc1c(Cl)cc(-c2noc([C@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1OC 612867643 GZDORXUWMZPNMR-NSHDSACASA-N 446.847 4.197 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 617761744 KDSRJJUAJJAHDU-OPAMFIHVSA-N 434.496 4.101 5 20 IIBD CN(C)CCCOc1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 618386906 DZTPKMFDGGIUMB-UHFFFAOYSA-N 428.308 4.002 5 20 IIBD O=C(COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])N[C@H](c1ccc(F)cc1)C1CCCC1 725934987 LZOOWIZFMZTXIG-FQEVSTJZSA-N 436.386 4.217 5 20 IIBD COc1ccc(-c2nc(Cn3c(C)nc([N+](=O)[O-])c3Br)cs2)c(OC)c1 726432106 VSNWVVULMLRVLK-UHFFFAOYSA-N 439.291 4.051 5 20 IIBD Cc1ccc(/C(O)=C(/C(=S)NCCc2cccs2)[n+]2ccccc2)cc1[N+](=O)[O-] 727812175 IRXRCDFBBBOVOE-UHFFFAOYSA-O 426.543 4.296 5 20 IIBD Cc1cc(Br)cc2c1N(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)CCC2 728181309 ZVAFSOQDSIUVDY-UHFFFAOYSA-N 434.246 4.475 5 20 IIBD Cc1ccccc1-c1noc(-c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)n1 728692211 BUIMJIVRAVGNLL-UHFFFAOYSA-N 436.449 4.421 5 20 IIBD NC(=O)c1ccc(COC(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)c([N+](=O)[O-])c1 730377336 QVWAOZCINZZAMW-UHFFFAOYSA-N 448.403 4.381 5 20 IIBD COc1ccccc1[C@H](NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 731130870 UULOHPXABXRFHN-HXUWFJFHSA-N 439.855 4.101 5 20 IIBD O=Cc1ccc(OCC(=O)OCc2csc(Cc3ccc(Cl)cc3)n2)c([N+](=O)[O-])c1 731736271 ZZVDMIKORGXMQD-UHFFFAOYSA-N 446.868 4.230 5 20 IIBD CC[C@@H]1CCCN(C(=O)c2ccc(OS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)CC1 735251860 WJIXFLSNEHGXGF-QGZVFWFLSA-N 446.525 4.323 5 20 IIBD Cc1c(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)nnn1-c1cccc(Cl)c1 735444043 VVJVTEPVBRBGMI-UHFFFAOYSA-N 439.815 4.149 5 20 IIBD Cc1ccc(-n2nc(-c3ccco3)cc2NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1 737696086 VYFNKYXXFKSUSL-UHFFFAOYSA-N 442.435 4.337 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)C[C@@H](C)c2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1C 739138223 GLGQIBKDRRXIDA-GFCCVEGCSA-N 444.431 4.229 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1CCCN(c2ncnc3sccc23)C1 742502121 CNMWMQMBHRSWSS-ZDUSSCGKSA-N 445.932 4.128 5 20 IIBD COc1ccc(OCCOC(=O)[C@@H](C)c2ccc(Br)s2)c([N+](=O)[O-])c1 745641806 XNKDOKGURDJPIT-JTQLQIEISA-N 430.276 4.153 5 20 IIBD C[C@H](OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1nc(-c2ccc(Cl)cc2)no1 746073318 NPYILHTYOBCAMX-LBPRGKRZSA-N 439.815 4.402 5 20 IIBD CCc1ccc(C(=O)Nc2cccnc2N2C(=O)O[C@@H](C(F)(F)F)[C@@H]2C)cc1[N+](=O)[O-] 746487644 OBDGTXXHCPMSQX-ZUZCIYMTSA-N 438.362 4.081 5 20 IIBD Cc1ccc(Cn2c(SC[C@H](O)c3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)cc1 749640765 VCDKUPIMYWMBLU-QFIPXVFZSA-N 447.516 4.487 5 20 IIBD CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@H](O)c1cccc([N+](=O)[O-])c1 749689091 UMXDQPZHMZQRHX-KRWDZBQOSA-N 434.905 4.264 5 20 IIBD CC(C)(C)OC(=O)N(CC1CC1)C1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 750848664 HAXMRNCAXREAAE-UHFFFAOYSA-N 442.516 4.328 5 20 IIBD O=C(CCN1CCCCC1)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 751136894 JTKNCRCGOAVYGP-UHFFFAOYSA-N 430.892 4.315 5 20 IIBD CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1 751635337 PXHHUICVVRDRAA-GFCCVEGCSA-N 436.873 4.113 5 20 IIBD COc1ccc(Cl)cc1CN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754632341 QXNTXDVJHXCZFA-UHFFFAOYSA-N 431.645 4.431 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N(Cc1ccccc1)C[C@H](O)c1cccs1 755765852 ZLVCWUZPXJGNQA-FQEVSTJZSA-N 449.488 4.286 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)OCc1csc(-c2ccccn2)n1 756524858 FTVJJNJCVFQGOC-UHFFFAOYSA-N 434.271 4.162 5 20 IIBD COC(=O)c1ccc(OC(C)C)c(NC(=O)c2cccc([N+](=O)[O-])c2Br)c1 758173079 LQBSPWOBAMNAGJ-UHFFFAOYSA-N 437.246 4.183 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)cc1[N+](=O)[O-] 762469640 XQXNYDAWHZOACS-UHFFFAOYSA-N 435.318 4.268 5 20 IIBD CC(C)(C)c1cc[n+](/C(C(=S)NCc2ccon2)=C(/O)c2ccc([N+](=O)[O-])cc2)cc1 764436520 YBNLVURXDCBEKZ-UHFFFAOYSA-O 439.517 4.169 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)N[C@H](C)c1cc2ccccc2o1 766230905 OPUPTAOWNDOENI-ZIAGYGMSSA-N 433.420 4.312 5 20 IIBD Cc1c(NC(=O)N(CCNC(=O)OC(C)(C)C)Cc2ccccc2)cccc1[N+](=O)[O-] 767033279 PYFGRZWVGZGFOD-UHFFFAOYSA-N 428.489 4.462 5 20 IIBD Cc1c(C(=O)NCc2cc3cc(Br)ccc3[nH]2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 767202796 QUDQBYIBSQWBQQ-UHFFFAOYSA-N 447.245 4.294 5 20 IIBD Cc1ccc(Cc2nc(C(=O)OCc3nc(-c4cccc([N+](=O)[O-])c4)no3)cs2)cc1 768650546 BXESXQNIFXRYEK-UHFFFAOYSA-N 436.449 4.358 5 20 IIBD CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)N2C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 769670934 HMIBVFJACVEXIW-AYHJJNSGSA-N 444.532 4.220 5 20 IIBD O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)c1cc(Br)cc([N+](=O)[O-])c1 770988779 JVBDWBUYLPEULG-AWEZNQCLSA-N 434.073 4.128 5 20 IIBD Cc1cc(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3n2C(C)C)cc([N+](=O)[O-])c1F 771768891 JSULGHVFYXUPKQ-SFHVURJKSA-N 446.504 4.499 5 20 IIBD O=[N+]([O-])c1nn(CN2CCC(Sc3ccc(Cl)cc3)CC2)cc1Br 772819462 CLGYGKRWAGXVSS-UHFFFAOYSA-N 431.743 4.421 5 20 IIBD COc1cccc([C@H](O)CN(Cc2ccccc2)c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)c1 772896631 BFDYZIVMACEDEM-XMMPIXPASA-N 447.491 4.228 5 20 IIBD COCCOc1c(Cl)cc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1Cl 774193014 OXYNEJJHAZTDCV-UHFFFAOYSA-N 444.227 4.396 5 20 IIBD COc1cccc(OC)c1OC1CCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 774633894 FUKJLURSYKXBRV-UHFFFAOYSA-N 446.891 4.116 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2ccc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])c1 775108842 YMGYFZFXKROSRN-UHFFFAOYSA-N 446.765 4.461 5 20 IIBD CO[C@@H]1[C@H](C)[C@@H](NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1(C)C 775979470 WPTQZLFJIAGBNK-QQGDVQBRSA-N 445.903 4.290 5 20 IIBD COc1ccccc1-n1c(SC[C@H](O)c2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O 776272826 XSBVEXCHVZZPRM-FQEVSTJZSA-N 449.488 4.128 5 20 IIBD Cc1cc(C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)nn1-c1cccc(Cl)c1 777155630 KBCQZXRRINSMNM-UHFFFAOYSA-N 439.815 4.149 5 20 IIBD O=C(N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 778253250 FUFMEKCRCJDRLI-CQSZACIVSA-N 446.385 4.282 5 20 IIBD Cc1cc(F)c2nc(O)cc(C(=O)O[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c2c1 778867804 DQMNNFQYOZKXGN-LLVKDONJSA-N 438.371 4.264 5 20 IIBD COc1cc(COC(=O)c2c(Cl)cccc2[N+](=O)[O-])c([N+](=O)[O-])cc1OCC(F)F 780063454 NLGBKBSFLXPKDZ-UHFFFAOYSA-N 446.746 4.166 5 20 IIBD CCO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)OCc2cccc([N+](=O)[O-])c2C)C1(C)C 781429488 REXLGQDXOJZAKV-JTSKRJEESA-N 436.505 4.045 5 20 IIBD CC(C)Oc1cccc([C@@H](C)OC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c1 781668073 KSCIHAUKQNJWNH-OAHLLOKOSA-N 428.441 4.375 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)c1noc(-c2ccccc2)n1 784049026 SCIIQYKIQOJKPZ-VIFPVBQESA-N 436.193 4.464 5 20 IIBD CN1C[C@H](C(=O)OCc2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)c2ccccc2C1=O 784062333 PNUCPLIREIEONY-QFIPXVFZSA-N 432.432 4.300 5 20 IIBD CCc1ccccc1NC(=O)COC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 787454424 PFUNXHPGQGMZGO-IAGOWNOFSA-N 439.512 4.435 5 20 IIBD CCNC(=O)Nc1ccc(C)c(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c1 787704031 VNWKJGHUZSETEG-UHFFFAOYSA-N 439.241 4.199 5 20 IIBD CCCO[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(I)c2)CC1 787809338 OIPFYCUKYPDXAM-ZDUSSCGKSA-N 447.273 4.012 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC([C@H]2CCCCCN2C(C)=O)CC1 790265787 HILZPUGBDQZLBL-LJQANCHMSA-N 437.924 4.042 5 20 IIBD O=C(COC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Cc1ccccc1Br 790742431 QYXOLYWUAOQOIE-UHFFFAOYSA-N 444.640 4.047 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3cc(Cl)nc4ccccc34)CC2)ccc1[N+](=O)[O-] 794043442 OGCGAUIIZCKCEE-UHFFFAOYSA-N 440.887 4.158 5 20 IIBD C[C@H](OC(=O)c1cc2sc(N3CCCC3)nc2s1)C(=O)Nc1cccc([N+](=O)[O-])c1 796312704 DTCDZUCRKKIUCV-NSHDSACASA-N 446.510 4.050 5 20 IIBD C[C@H](OC(=O)c1cc(S)ccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 798725220 WQUYBAHUQFFZMF-QMMMGPOBSA-N 432.351 4.225 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)Nc1cccc2c1CN(CC(F)(F)F)C2 800565139 RKGYEBNCIPVZNQ-UHFFFAOYSA-N 428.798 4.448 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N(Cc1ccccc1)C[C@@H](O)c1ccccc1 804411825 WCHMVLPKJKMOTD-XMMPIXPASA-N 442.475 4.157 5 20 IIBD C[C@@H](Cc1cncc2ccccc12)C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 805678692 NNNSROUPFBEQTR-ZDUSSCGKSA-N 427.844 4.157 5 20 IIBD C[C@H](Cc1cncc2ccccc12)C(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 805872025 LLEMVCXVAZTVCT-QGZVFWFLSA-N 434.496 4.176 5 20 IIBD COC(=O)c1cc(Br)c(OC)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 809250866 HHWFFSJRJWMSON-UHFFFAOYSA-N 443.637 4.058 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2-c2nc(-c3cccc(C(=O)N(C)C)c3)no2)CC1 809318198 MXKSEPLHTRWHOG-UHFFFAOYSA-N 435.484 4.250 5 20 IIBD CCOc1ccc([C@H](O)C2CCN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 812863367 GQPDMVJCQUVQGZ-QFIPXVFZSA-N 447.919 4.031 5 20 IIBD Cc1noc2nc(C3CC3)cc(C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c12 812873985 QVRGTFCFZFLZIG-SNVBAGLBSA-N 444.831 4.154 5 20 IIBD C[C@@H]1C[C@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C 813543028 HWSMEJWJVKWVGG-ZYHUDNBSSA-N 432.304 4.419 5 20 IIBD COC(=O)c1ccoc1COC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 818033405 LMPBXUBRWYOQSH-UHFFFAOYSA-N 434.451 4.248 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N(C[C@H](O)c2ccccc2)c2ccccc2)ccc1Cl 913116936 QCTZSKPHVQLQJX-FQEVSTJZSA-N 432.885 4.177 5 20 IIBD O=C(c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N(C1CCCCC1)C1CC1 914502145 SAUVSAXQGUUZIU-UHFFFAOYSA-N 444.509 4.300 5 20 IIBD C[C@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1=O 915665914 KGJYBZZDGNHKTD-QGZVFWFLSA-N 427.766 4.234 5 20 IIBD Cc1nc(-c2ccccc2NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])no1 915866178 FWOAEGAEZSNPMI-UHFFFAOYSA-N 435.362 4.413 5 20 IIBD COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)ccc1NC(=O)OC(C)(C)C 916428961 LGAHIDHSQWHGMV-UHFFFAOYSA-N 430.461 4.269 5 20 IIBD Cc1cccc([C@@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c1 917931091 IGJVMXICBXEGTG-INIZCTEOSA-N 425.304 4.192 5 20 IIBD O=C(COc1ccc(-c2ccccc2)cc1[N+](=O)[O-])Nc1ccc(N2CCOCC2)cc1 920307946 PJWDFCUESBJWIB-UHFFFAOYSA-N 433.464 4.116 5 20 IIBD C[C@H](OC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)C(=O)N(C)c1ccccc1 920544634 DLXSDGPDHURFLF-SJORKVTESA-N 448.479 4.371 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC(=O)N(C)[C@H]1CCCc2ccccc21 920778833 WWXVLHISCALZFP-KSSFIOAISA-N 446.887 4.095 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Oc1ccc(C(=O)Nc2cccnc2)cc1 921013685 UMMCHMHYDSPXNQ-UHFFFAOYSA-N 449.466 4.408 5 20 IIBD Cc1cc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)ccc1N1CCCC1=O 1116140554 LWWYJPAUWCELSO-UHFFFAOYSA-N 438.484 4.105 5 20 IIBD O=C(CSc1ccc(Br)cc1)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1117066838 WZRMVDSPAFIHQA-UHFFFAOYSA-N 427.232 4.101 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccc(F)c(NC(=O)OC(C)(C)C)c2)ccc1[N+](=O)[O-] 1251890271 SYARNSBQYTXWRA-UHFFFAOYSA-N 425.438 4.190 5 20 IIBD C[C@@H](CC(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)c1ccccc1C(F)(F)F 1318828803 QTSNPNLXKUFEFI-INIZCTEOSA-N 435.446 4.452 5 20 IIBD CN(Cc1ccc([N+](=O)[O-])cc1Br)[C@H](CO)c1cccc(Br)c1 1320532148 NLHWYCMNJYBZGX-MRXNPFEDSA-N 444.123 4.285 5 20 IIBD CC(C)(C)OC(=O)Nc1cc(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)ccc1F 1321921661 RPWLDHYCPVPJIB-UHFFFAOYSA-N 433.440 4.315 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CNc2cccc(CN3CCOCC3)n2)o1 1324674756 XEANEASDBXSPEA-UHFFFAOYSA-N 428.876 4.348 5 20 IIBD CCc1cc(OCC(=O)OC[C@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])ccc1Cl 1343441084 BDRUYRLRCZRQSK-MRXNPFEDSA-N 446.887 4.037 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccccc3O)cc2)CCC1)c1ccc(O)c([N+](=O)[O-])c1 1787197190 YIQOSUDORIDXML-UHFFFAOYSA-N 447.447 4.068 5 20 IIBD Cc1cc(CCCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CC(C)C)C3)c([N+](=O)[O-])cc1F 1793401807 BPARDFWIGAQWRZ-REPLKXPHSA-N 433.524 4.049 5 20 IIBD C[C@H]1CCC[C@@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 1801206848 ALEJGFBUBPJBCD-YGJKTCCFSA-N 441.553 4.498 5 20 IIBD O=C(/C=C/c1ccccc1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823612360 XDQCDCBRRWIPRN-BQYDLMEBSA-N 437.496 4.135 5 20 IIBD CCCC(=O)N[C@H]1CCc2nc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)sc2C1 1824425438 SJDJWQVTDKACGT-LBPRGKRZSA-N 444.538 4.292 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3CCCCC3)CC2)ncc1[N+](=O)[O-] 1827828700 JMLXLUQQUXWPON-NRFANRHFSA-N 442.560 4.112 5 20 IIBD C[C@@H]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1828488139 UOFPFEAVZLIJSY-ZWDAVXSWSA-N 445.535 4.403 5 20 IIBD CC(C)CCSc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)cc1[N+](=O)[O-] 14520056 UCRHOUGQTCRWQS-UHFFFAOYSA-N 443.573 4.132 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 15271201 IXYNKTOZKCDMCJ-IYBDPMFKSA-N 441.484 4.024 5 20 IIBD Cc1ccc(F)c(NC(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 15965054 KSLJEZZWZKYNJM-UHFFFAOYSA-N 430.413 4.062 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Sc2ncnc3sc4c(c23)CCC4)c([N+](=O)[O-])c1 16717506 KUPCNQKOFJMUEK-JTQLQIEISA-N 430.511 4.216 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(F)c(C)c1 22195716 RCMWUHJICPQDOC-UHFFFAOYSA-N 445.472 4.464 5 20 IIBD Cc1c(Cl)cccc1NC(=O)COC(=O)Cn1c2ccccc2c(=O)c2ccccc21 23204470 CYXAOZKVPBKMQQ-UHFFFAOYSA-N 434.879 4.298 5 20 IIBD CN(C(=O)COC(=O)Cc1csc(-c2ccccc2Cl)n1)c1ccc([N+](=O)[O-])cc1 29502665 VAZSXVCXUQMROM-UHFFFAOYSA-N 445.884 4.120 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCC1 63226773 VZJXQFPFCNMJRV-UHFFFAOYSA-N 449.429 4.489 5 20 IIBD COc1cc(C(=O)Nc2ccc(Cl)c(NC(C)=O)c2)c([N+](=O)[O-])cc1OC(F)F 63335913 KINUVCBJSLJAAW-UHFFFAOYSA-N 429.763 4.069 5 20 IIBD COC(=O)c1sccc1NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 64738437 XHCKAKRUIWHATJ-GFCCVEGCSA-N 426.454 4.263 5 20 IIBD COc1cc(C(=O)N2CCN(CC(C)C)CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 69266993 AJVCIXDVTAARRQ-UHFFFAOYSA-N 447.919 4.463 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 111039194 MPLAPHUYRKCBPB-HNNXBMFYSA-N 425.464 4.016 5 20 IIBD COc1ccc([C@@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1Br 216016445 BTEAVRQINSYESM-SNVBAGLBSA-N 442.697 4.309 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccc(Br)cc1 301065791 XQOULCZQORUXHI-ZDUSSCGKSA-N 434.290 4.003 5 20 IIBD O=C(c1ccc(N[C@@H](c2ccccc2)c2ccc(F)cc2)c([N+](=O)[O-])c1)N1CCOCC1 301083690 IMRCPLSFAGXVNQ-QHCPKHFHSA-N 435.455 4.408 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCc3ccc(O)c(F)c3)c([N+](=O)[O-])c2)c(C)c1 301356383 KUPFZCHCXADGGB-UHFFFAOYSA-N 445.472 4.469 5 20 IIBD Cc1ccc(-c2ncc(CN[C@H](Cc3c[nH]c4ccc([N+](=O)[O-])cc34)C(=O)O)s2)cc1 426726426 JNQLGQWVMHYPCJ-HXUWFJFHSA-N 436.493 4.294 5 20 IIBD COc1cc(CN[C@H](C(=O)O)c2cccs2)ccc1OCc1ccc([N+](=O)[O-])cc1 426789411 UMEMYUOGAXZVOH-FQEVSTJZSA-N 428.466 4.159 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(CCO)Cc2cccc(F)c2)cc1 427551616 XXXVNFXNFMXBFJ-UHFFFAOYSA-N 440.427 4.170 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@@H]2Cc3cccc(O)c3C2)cc1 428557721 KNIZPFCPLHDMFA-HXUWFJFHSA-N 426.476 4.410 5 20 IIBD CCC[C@H](NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)C(=O)N1CCc2sccc2C1 429331034 NFGLREYPNXFDJA-INIZCTEOSA-N 430.530 4.148 5 20 IIBD CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)cc1 430417834 VSGPRUIJHMRDIB-MRXNPFEDSA-N 428.489 4.033 5 20 IIBD C[C@H]1C[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCN1Cc1ccccc1 430654262 PZRTYFLMMHCNQA-YOEHRIQHSA-N 432.318 4.140 5 20 IIBD COc1cc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])ccc1NC(=O)c1cccnc1 431955916 WTOCEHAVRLBRGQ-UHFFFAOYSA-N 434.452 4.167 5 20 IIBD O=C(C[C@H]1CCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cccs1 432304688 BUYGLXAJIFRTAL-QGZVFWFLSA-N 430.529 4.480 5 20 IIBD Cc1c(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cnn1-c1ccccc1F 435132390 XAGSQNJKEVJUKA-UHFFFAOYSA-N 445.259 4.336 5 20 IIBD COc1cccc(C(=O)NCC2(C(=O)Nc3ccc(C)c(C)c3)CCCC2)c1[N+](=O)[O-] 435823027 XPTWYKQKIZSZTN-UHFFFAOYSA-N 425.485 4.149 5 20 IIBD COc1ccc(CN(C)C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c(OC)c1 435834714 KBRMPIIYOLQSHX-UHFFFAOYSA-N 438.430 4.249 5 20 IIBD Cc1cnc([C@@H](C)NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)s1 435848271 WBTWBJUVVVPGNF-LLVKDONJSA-N 448.551 4.388 5 20 IIBD CN(CCN(C)C1CCCCC1)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436312651 NYRQDLPUKAIBFD-UHFFFAOYSA-N 427.495 4.296 5 20 IIBD CC(=O)N1CCN(Cc2ccccc2NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 436415596 QTROJLJGRPJYNP-UHFFFAOYSA-N 434.496 4.131 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 436776297 INFXAYGCDLJSHQ-UHFFFAOYSA-N 428.338 4.300 5 20 IIBD COC(=O)c1cccc(-c2nc(CSCc3ccc(C(N)=O)cc3[N+](=O)[O-])cs2)c1 437424133 IBJURGQLWWKHQV-UHFFFAOYSA-N 443.506 4.037 5 20 IIBD CCCN(C(=O)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12)c1cccc([N+](=O)[O-])c1 441488720 RDMNEVGSZXFQAG-KNQAVFIVSA-N 443.500 4.068 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(CO)(Cc3ccccc3)CC2)nc1OCc1ccccc1 443960670 OZCJUVIXWOFQIK-UHFFFAOYSA-N 433.508 4.390 5 20 IIBD CN(Cc1nccn1Cc1ccccc1)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444101388 PMNLAZVESMMWKF-UHFFFAOYSA-N 440.478 4.337 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N[C@H](Cc1ccccc1)c1ccccc1F 445139905 RVVYYSBQZQIYKX-HXUWFJFHSA-N 433.443 4.393 5 20 IIBD COc1cccc(C(=O)c2ccc(C(=O)Nc3ccnn3-c3ccc([N+](=O)[O-])cc3)cc2)c1 445629655 PJKHBOQCCCCQNA-UHFFFAOYSA-N 442.431 4.272 5 20 IIBD Cc1nc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])sc1Cc1ccc(F)cc1F 446945400 FIFVZWXWSMGNDC-UHFFFAOYSA-N 425.438 4.030 5 20 IIBD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCC2CCN(Cc3ccccc3Cl)CC2)n1 447525817 AASMPSFFZJZXEX-NHCUHLMSSA-N 431.968 4.430 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NC[C@]1(CO)C[C@H]1c1ccc(F)cc1 447682420 YMWFXUWSNDHYSC-LRDDRELGSA-N 435.324 4.361 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[C@H](CN4CCCCC4)C3)cc2[N+](=O)[O-])C1 461414861 ACCLAUHVWYKJFS-VAMGGRTRSA-N 428.577 4.025 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(NC[C@@H](OC)c2cccc(Cl)c2)c([N+](=O)[O-])c1 462949945 DJXMNOLEVPDNQD-LJQANCHMSA-N 441.937 4.078 5 20 IIBD Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 463426294 YFQNFCPKBKUBAI-UHFFFAOYSA-N 428.701 4.012 5 20 IIBD COc1ccc(NC(=O)c2c(Cl)cccc2I)c([N+](=O)[O-])c1 463634314 AVRWWSMOTPOFED-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD Cc1ccc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c(OC[C@@H]2CCCO2)c1 467211374 IIMDEHGNFHNDLS-SFHVURJKSA-N 433.892 4.114 5 20 IIBD CC(C)COC[C@H](O)CNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 467932713 ZDBDQSCZAVQOPC-OAHLLOKOSA-N 438.933 4.163 5 20 IIBD O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1ccc([N+](=O)[O-])c2cccnc12 468080249 PBRBIWKUDFIWKJ-OAQYLSRUSA-N 440.459 4.123 5 20 IIBD Nc1c(C(=O)N2CCCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-] 468701517 ODDWISJCUHQUIH-MRXNPFEDSA-N 437.283 4.117 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1ccccc1Oc1cc(F)cc(F)c1 469580615 MUFVNXBFOBJBGT-UHFFFAOYSA-N 441.390 4.262 5 20 IIBD CC[C@@H]1CN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[C@H]1c1ccccc1 470004597 SPGYPJVNRWPIKT-NVXWUHKLSA-N 429.904 4.020 5 20 IIBD COCCN(Cc1ccc(C)o1)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 470098598 UJFDPOSGOVUIQQ-KRWDZBQOSA-N 438.484 4.353 5 20 IIBD Cc1c(C(=O)NCC[C@H](C)c2cccc(C(F)(F)F)c2)nnn1-c1cccc([N+](=O)[O-])c1 470225851 HBXPZJNLJITYKK-ZDUSSCGKSA-N 447.417 4.426 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O 470701365 MRKKGWJABQGZSJ-UHFFFAOYSA-N 439.786 4.440 5 20 IIBD Cc1ccc(SC[C@@H](C)NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 472262786 XYTZMWRFBYFWGA-CQSZACIVSA-N 443.554 4.094 5 20 IIBD Cc1cc(-c2noc([C@H](C)NC(=O)NCCCCc3ccc([N+](=O)[O-])cc3)n2)ccc1F 472435748 ZGARCJCMZOEPCR-HNNXBMFYSA-N 441.463 4.475 5 20 IIBD COc1cccc(C=C2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)CC2)c1 473016435 QUZLWIYTXKTURU-UHFFFAOYSA-N 425.485 4.120 5 20 IIBD C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C[C@@H](C2CC2)O1 473318873 KQCXRIBXKIPGRK-QKKBWIMNSA-N 429.904 4.500 5 20 IIBD COC(=O)COc1ccc(CN[C@@H](C)c2ccc(-c3csc(C)n3)cc2)cc1[N+](=O)[O-] 474357984 AKKGVDRWNVUJHY-AWEZNQCLSA-N 441.509 4.429 5 20 IIBD COCc1cc([N+](=O)[O-])ccc1NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 474783465 LCMQUVCSEXHRJY-UHFFFAOYSA-N 445.472 4.293 5 20 IIBD Cn1cc(Nc2cccc(NS(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])c2)cn1 475745295 FPGZKFBOQRIZGM-UHFFFAOYSA-N 442.284 4.180 5 20 IIBD CC1(C)CN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c2cccc(Cl)c21 477848878 KGXAVKPIRKXPIU-UHFFFAOYSA-N 429.860 4.261 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2cc(F)ccc2C)nnc1-c1ccc([N+](=O)[O-])cc1 481347773 VPGZEPRRXDWATG-ZDUSSCGKSA-N 429.477 4.440 5 20 IIBD Cc1cc(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3n2C(C)C)ccc1[N+](=O)[O-] 481437012 PBNBWRYCWJZELS-FQEVSTJZSA-N 428.514 4.360 5 20 IIBD COc1cc(CN[C@H](C)c2ccc(Br)cn2)c([N+](=O)[O-])cc1OCC(F)F 482994179 VQJHIMKGMLXFKN-SNVBAGLBSA-N 446.248 4.256 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N[C@H]2CC[C@@H](c3ccccc3F)C2)cc1[N+](=O)[O-] 484876359 QMRDSSXRWWJMEQ-HIFRSBDPSA-N 441.488 4.080 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 485473060 HSRFRNBYCSBWBQ-MRXNPFEDSA-N 444.337 4.011 5 20 IIBD CSc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1[N+](=O)[O-] 485754612 GVPNHOPRGUGYJT-UHFFFAOYSA-N 441.431 4.424 5 20 IIBD C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc2ncsc2c1 485821810 NNBYVSJOZVVSSI-JTQLQIEISA-N 435.303 4.256 5 20 IIBD CCCc1nc(C)c(NS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)s1 486133702 ZSPRMKWDLWQUDC-UHFFFAOYSA-N 434.337 4.184 5 20 IIBD COC(=O)c1cccc2nc(NC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])[nH]c12 486306016 YKYBPMLYSQPQMQ-UHFFFAOYSA-N 446.419 4.089 5 20 IIBD Cc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cc1C(=O)O 486306452 XMHBJGYYIJAUOQ-UHFFFAOYSA-N 447.447 4.151 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@H](c2cccc(C)c2)c2ccccn2)c(C)c([N+](=O)[O-])c1 486887716 ZQBWYVNOGCUDQB-OAQYLSRUSA-N 434.452 4.304 5 20 IIBD Cc1cccc(CN(Cc2ccccn2)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1 489540195 UIGLYBIXESSEGU-UHFFFAOYSA-N 427.464 4.327 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1nc(C2CCCCC2)no1 489909340 XESBBBTVPVPBHB-CYBMUJFWSA-N 434.518 4.255 5 20 IIBD O=C(CN(Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CC=C(c2c[nH]c3ccccc23)CC1 490192621 CAPAMKFAHKRARG-UHFFFAOYSA-N 430.508 4.356 5 20 IIBD CCOc1ccc(-c2nc(C(=O)Nc3n[nH]c(-c4cccc([N+](=O)[O-])c4)n3)cs2)cc1 490364335 JDHFLPQQDNQMMO-UHFFFAOYSA-N 436.453 4.154 5 20 IIBD O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 490369540 QNCHBGSDYKVETD-UHFFFAOYSA-N 438.831 4.260 5 20 IIBD COc1cc(CN2CCC[C@H](N3[C@@H](C)CC[C@@H]3C)C2)c([N+](=O)[O-])cc1OCC(F)F 491065238 KAJASNBOBSZVQS-ZOBUZTSGSA-N 427.492 4.085 5 20 IIBD CC(C)Oc1ccc([C@@H](CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])N(C)C)cc1 491085412 RXHJWURLEQZKNE-OAQYLSRUSA-N 428.533 4.219 5 20 IIBD CCN(C1CCCCC1)S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC 493502338 KZIHXNLHAWNUCA-UHFFFAOYSA-N 435.340 4.018 5 20 IIBD C[C@@H](C1CC1)N(C(=O)c1ccc(C(=O)N(C2CC2)[C@@H](C)C2CC2)c([N+](=O)[O-])c1)C1CC1 494316877 UYNUGJFJDGPKAI-GJZGRUSLSA-N 425.529 4.401 5 20 IIBD COc1ccc(C[C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c2ccc(OC)cc2)cc1 499053720 GYERWDWMWMIGTB-XMMPIXPASA-N 449.507 4.433 5 20 IIBD CC(C)NC(=O)CSc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 499474680 VHIDRXGMGPAQBZ-UHFFFAOYSA-N 441.431 4.483 5 20 IIBD O=C(CSc1ccc(Br)cn1)Nc1ccc([N+](=O)[O-])cc1Br 505635019 LSKQOKZCAZQNSC-UHFFFAOYSA-N 447.108 4.246 5 20 IIBD Cn1c(SC[C@H](O)COc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(C(C)(C)C)cc1 508390942 HTMPLOOQQKJBRV-GOSISDBHSA-N 442.541 4.220 5 20 IIBD Cc1ccc([C@H](C)NC(=O)[C@H]2CCO[C@@H]2c2ccnn2Cc2ccccc2)cc1[N+](=O)[O-] 509368509 CCLXDGGIELIGKM-NYDSKATKSA-N 434.496 4.103 5 20 IIBD COc1ccc(F)cc1NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 510315475 QQTAIUIHPHHKQG-UHFFFAOYSA-N 442.369 4.115 5 20 IIBD COCCOc1ccccc1NC(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 512169670 PHHKQGDUDRGPAC-CALCHBBNSA-N 427.501 4.355 5 20 IIBD CCOc1cc(F)ccc1NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] 512184816 YQXUCKSYOCGLQV-UHFFFAOYSA-N 447.444 4.429 5 20 IIBD CCc1cccc2c(C3CCN(C(=O)C(=O)Nc4cccc([N+](=O)[O-])c4C)CC3)c[nH]c12 516083456 OUPZPYWXNKCJDC-UHFFFAOYSA-N 434.496 4.292 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)c1c(Cl)cccc1[N+](=O)[O-] 518905415 XHTQOCFHIBRNAU-UHFFFAOYSA-N 434.832 4.472 5 20 IIBD O=C(NC1CCC(c2ccccc2)CC1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 521092201 MEDDZSCZUQAFSC-DAWZGUTISA-N 427.526 4.104 5 20 IIBD CN1C(=O)CC[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccc(C(F)(F)F)cc1 522334642 JWKPUUJUBFVVKA-PXNSSMCTSA-N 447.413 4.112 5 20 IIBD CCCN(C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCCN(Cc2ccccc2)C1 522427589 MYPQUDOOIYAVGZ-OAQYLSRUSA-N 440.544 4.190 5 20 IIBD O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCO[C@@H](c2cccc(Br)c2)C1 522936913 KZIBKVFHELXAMV-MRXNPFEDSA-N 425.666 4.224 5 20 IIBD Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cc1 523141554 VUWVGGHTRNZPCM-OSPHWJPCSA-N 446.507 4.371 5 20 IIBD Cc1c(C(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)cccc1[N+](=O)[O-] 523564362 ALYVDPLCBGLSCI-UHFFFAOYSA-N 446.301 4.157 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 524337694 UFEQPIONMPGVKC-NRFANRHFSA-N 436.537 4.255 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-n2cccc2)c1 526935033 OJARTQCBECOSCV-UHFFFAOYSA-N 425.466 4.293 5 20 IIBD COc1ccc(CNC(=O)N2CCC[C@H]2c2ccc(Br)cc2)cc1[N+](=O)[O-] 531230778 AKLCPGJQOBWVBE-INIZCTEOSA-N 434.290 4.413 5 20 IIBD Cc1c(C(=O)N[C@@H](C)c2ccccc2NS(=O)(=O)c2cccs2)cccc1[N+](=O)[O-] 532829755 MHGCOSQFUNMDAM-AWEZNQCLSA-N 445.522 4.257 5 20 IIBD COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 533464257 KKMBZXHYJDYAIP-LJQANCHMSA-N 438.402 4.444 5 20 IIBD COc1ccc(C(=O)Nc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)cc1-c1ccccn1 533669955 OMXWJABEUFNUTJ-UHFFFAOYSA-N 429.436 4.412 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H](C3CCN(C)CC3)C2)cc1 534407571 ZEOMBSVAKKMGIK-GOSISDBHSA-N 439.512 4.200 5 20 IIBD Cc1cc(-c2noc(C[S@](=O)Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)n2)ccc1F 535508223 QYTOYQFOLMVUJX-WJOKGBTCSA-N 442.428 4.196 5 20 IIBD Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)C2)nc1 537133910 BKFZYVHTCJVEDC-MRXNPFEDSA-N 442.541 4.290 5 20 IIBD CC(C)Oc1cccc([C@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1 538126429 UUDWRYUOSWJNRL-ZDUSSCGKSA-N 436.306 4.434 5 20 IIBD COc1ccc(C[C@@H](NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])c2ccccc2)cc1OC 539261511 RQJWJYRXQCHSTI-HXUWFJFHSA-N 449.507 4.433 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Br)cc2C(C)=O)cc1OC 541414959 LDMKBTLRQQJCCQ-UHFFFAOYSA-N 437.246 4.220 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCC(OC[C@@H]2CCOC2)CC1 541472211 HNIFHFYUCWNYCX-QGZVFWFLSA-N 426.469 4.045 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)Nc1ccccc1Sc1ccccc1 542324377 ZWMDZJHFFFTRDK-UHFFFAOYSA-N 437.477 4.010 5 20 IIBD C[C@H](NCCOc1ccccc1[N+](=O)[O-])c1nc(-c2ccc(Br)cc2)no1 543546539 MRQNZLAEFIGQMR-LBPRGKRZSA-N 433.262 4.137 5 20 IIBD Cc1c([N+](=O)[O-])cn(CCC(=O)Nc2c(Cl)cccc2Cl)c(=O)c1Br 544075063 AJBCXICOSYTFGY-UHFFFAOYSA-N 449.088 4.163 5 20 IIBD C[C@H](C(=O)NC[C@@H](C)Oc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1F 544399858 QYSRXTZZORRJNA-NEPJUHHUSA-N 425.254 4.184 5 20 IIBD COc1ccc(COCc2noc(-c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)n2)cc1 544430129 HCLLAGSZQAJVCX-UHFFFAOYSA-N 449.467 4.232 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCO[C@H](CCc2ccccc2)C1 544693240 SFZWAIHLQVGYFN-OAQYLSRUSA-N 426.516 4.015 5 20 IIBD NS(=O)(=O)c1cccc(N[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] 545345360 UMJXGAPUKDKMRX-UONOGXRCSA-N 429.420 4.009 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCCn2c(cc3ccccc32)C1 553907363 YPQQDNSQNXUYGX-UHFFFAOYSA-N 440.308 4.451 5 20 IIBD COC(=O)CN(C)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2 556293254 RIGNCKUOUYULTF-VKAVYKQESA-N 445.475 4.265 5 20 IIBD COc1cc([N+](=O)[O-])ccc1OC[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 559283136 MIANCUQQJRTIGX-HXUWFJFHSA-N 445.418 4.428 5 20 IIBD CCS(=O)(=O)Cc1noc(-c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])n1 565447569 RTIWXEHGUUEDDA-UHFFFAOYSA-N 439.902 4.384 5 20 IIBD CCn1cc(S(=O)(=O)Nc2ccc(Cl)cc2Nc2ccc(F)cc2)c([N+](=O)[O-])n1 567422844 VJGOZPODLSXCCP-UHFFFAOYSA-N 439.856 4.148 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CC(C)(C)[C@H]2c2cccs2)cc1[N+](=O)[O-] 568442129 WEDVJOCMGYGKGO-MRXNPFEDSA-N 429.527 4.159 5 20 IIBD O=C(NCCc1cnc(SC2CCCC2)nc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 568922799 JUCXHWHXZNMCGC-UHFFFAOYSA-N 440.447 4.411 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1cncc(Cl)c1Br 573721584 NAFABBJBOVPHRD-UHFFFAOYSA-N 435.061 4.467 5 20 IIBD CCCCN(C)C[C@H](C)NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 578632844 QDERTZZJUSABOQ-HNNXBMFYSA-N 444.498 4.067 5 20 IIBD COc1cc(C(=O)N[C@H](c2ccccc2)c2ccccn2)c([N+](=O)[O-])cc1OC(F)F 585704787 MJKCPLHIXWAGNW-LJQANCHMSA-N 429.379 4.119 5 20 IIBD CC(C)Oc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 585756585 TZBZYHQYVJDFAX-HNNXBMFYSA-N 427.501 4.495 5 20 IIBD COc1cc(C(=O)Nc2cc(C)nn2-c2ccccc2F)c([N+](=O)[O-])cc1OC(F)F 603589208 CVSBSJPSVDMQFH-UHFFFAOYSA-N 436.346 4.090 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ncc(-c3ccccc3)s2)cc1OC 603596610 NJOQKBQBEWXVOA-UHFFFAOYSA-N 429.454 4.004 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(Cn2cccn2)c1 603656088 QMZUZPXUPASKGN-UHFFFAOYSA-N 448.405 4.092 5 20 IIBD Cc1c(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)cnn1-c1ccc(F)cc1 603741230 JMHPAIQECPYTGY-UHFFFAOYSA-N 436.365 4.433 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)N1CCCCC1 604097418 KWLSBWBYVQXQNG-DYESRHJHSA-N 426.517 4.191 5 20 IIBD COCCCN1CCC(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 608904376 OPPZNVUOMVWMPB-UHFFFAOYSA-N 447.919 4.271 5 20 IIBD O=C(c1ccc(Cl)c(I)c1)N1CCCc2ccc([N+](=O)[O-])cc21 609859621 QPJCQGCQOQAEIZ-UHFFFAOYSA-N 442.640 4.446 5 20 IIBD COc1ccc(Oc2ccc(NC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)cn2)cc1 610186545 VVKUIWVFDIQXFC-UHFFFAOYSA-N 431.408 4.229 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N[C@@H](CO)CC1CC1 611295853 ZXVKXJGWPWPOOD-UWKDKTGGSA-N 437.521 4.412 5 20 IIBD Cc1nc([N+](=O)[O-])c(Br)n1CC(=O)N(Cc1ccc(C(C)C)cc1)C1CC1 726430961 GYDFIPSTDQMIIT-UHFFFAOYSA-N 435.322 4.177 5 20 IIBD Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C1 726623932 MAZVKBYVKHBMHK-CQSZACIVSA-N 432.864 4.030 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)OCc1nnc(-c2c(Cl)cccc2Cl)o1 726637343 GUJPKGDFESVRRI-UHFFFAOYSA-N 448.222 4.045 5 20 IIBD O=C(CSC[C@@H]1CCCCO1)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 727296127 UWVANGQMORVVOZ-IBGZPJMESA-N 430.482 4.055 5 20 IIBD CN(CCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)C(=O)OC(C)(C)C 728865789 DCGPVJAUGPPGNS-UHFFFAOYSA-N 431.514 4.343 5 20 IIBD CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1F 730452514 MCPJIMHDXXJJNI-GFCCVEGCSA-N 426.491 4.037 5 20 IIBD O=C(CSCc1cccc(Cl)c1)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730705513 PARRHGIYQBFGBJ-KRWDZBQOSA-N 448.928 4.329 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 731269280 JRVCCSAOXTXCLY-KPOBHBOGSA-N 434.448 4.431 5 20 IIBD C[C@@H](OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1nc2ccc(Cl)cc2[nH]1 732517105 GMIVLZAGLFIFMC-QMTHXVAHSA-N 448.888 4.095 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)O[C@H]1CCCN(C(=O)c2ccccc2Cl)C1 732609885 KHKZKWMHHBAGPH-HNNXBMFYSA-N 434.901 4.188 5 20 IIBD CO[C@H](CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C(F)(F)F 733323074 DQSKXJSQTGTXAX-HZPDHXFCSA-N 431.798 4.095 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)C 735791588 TYZBKTSQCCNUAJ-GOSISDBHSA-N 443.887 4.327 5 20 IIBD COc1ccc(Cl)cc1C[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 741257390 JUJDCPINRJKHCQ-CYBMUJFWSA-N 442.896 4.039 5 20 IIBD O=C(OCc1cc(Cl)ccc1Cl)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 745029928 RBUVZSGQUUKYHC-ZDUSSCGKSA-N 429.281 4.311 5 20 IIBD CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1 749977143 KQVWZNNQQGMMJW-UHFFFAOYSA-N 435.864 4.404 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Br)N1CCC(Oc2ccc(F)cc2F)CC1 751091521 WXAAXQVHBUHAAM-UHFFFAOYSA-N 441.228 4.319 5 20 IIBD COc1cc([C@@H](C)NC(=O)c2cc(F)ccc2[N+](=O)[O-])ccc1OCc1ccncc1 751097353 XHLHDTOSBBYMPF-CQSZACIVSA-N 425.416 4.208 5 20 IIBD CCc1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cnn1-c1ccc(Cl)cc1 752928089 BLOKVVKMPAPIAJ-UHFFFAOYSA-N 429.820 4.465 5 20 IIBD COc1ccc(CC(=O)Nc2cccc3c2CCN3C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 753777828 XCQCSXVLLKTXRQ-UHFFFAOYSA-N 427.457 4.082 5 20 IIBD O=C(Nc1cccc(Oc2cnccn2)c1)c1cc(F)cc([N+](=O)[O-])c1Br 754629350 JMUIAELPZZJDLM-UHFFFAOYSA-N 433.193 4.331 5 20 IIBD CN(Cc1ncc(-c2ccccc2)[nH]1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 755029741 XCASAHNAQYIDQR-UHFFFAOYSA-N 430.262 4.411 5 20 IIBD O=C(NS(=O)(=O)c1ccsc1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 755739191 VRSUPDXZTKZARR-UHFFFAOYSA-N 426.541 4.057 5 20 IIBD CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c1 757234683 ZMINDKSCXGXAHE-UHFFFAOYSA-N 439.921 4.283 5 20 IIBD CCc1nnc(C)cc1C(=O)Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1 758829602 KBTMBEJQRAXOHH-UHFFFAOYSA-N 431.404 4.248 5 20 IIBD COC(=O)CCSc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2Br)c1 758877952 UOLASLQSZOJFEG-UHFFFAOYSA-N 439.287 4.265 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Oc1cccc(C(=O)NCc2ccccc2)c1 759217638 UIDBYBKLLMUIJQ-UHFFFAOYSA-N 429.432 4.154 5 20 IIBD Cc1cc(C)n(-c2ccc(C(=O)O[C@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)cc2F)n1 759947420 KAVUHFMQKSLNHP-MOPGFXCFSA-N 427.436 4.074 5 20 IIBD O=[N+]([O-])c1ccc(CCc2nc(-c3cc(Cl)c4c(c3)OCCCO4)no2)c([N+](=O)[O-])c1 761415387 LQQIRYWRSQWFLA-UHFFFAOYSA-N 446.803 4.153 5 20 IIBD CC(C)(C(=O)NS(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1F 763011835 CDYVGKNYUDYIEB-UHFFFAOYSA-N 442.468 4.184 5 20 IIBD COc1ccc(C(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)cc1I 763399270 RYOIGKWBSMKSNF-UHFFFAOYSA-N 446.628 4.422 5 20 IIBD Cc1cc(=O)c(C(=O)O[C@H](C)c2ccccc2[N+](=O)[O-])nn1-c1cccc(C(F)(F)F)c1 764596992 KPNKQWYFRWAKII-CYBMUJFWSA-N 447.369 4.386 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Oc1cccc(Oc2ccnc(C(N)=O)c2)c1 765091553 CBZRKKMEYTUQPJ-MRXNPFEDSA-N 435.436 4.055 5 20 IIBD CC(C)[C@@H](OC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 766853853 DMCLGCJZELKTCI-HXUWFJFHSA-N 432.379 4.081 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCC(O)(c3ccccc3)CC2)cc1[N+](=O)[O-])c1ccccn1 768581798 WGKXADKNAMGGRT-SFHVURJKSA-N 446.507 4.287 5 20 IIBD Cc1cccc(-c2cncc(C(=O)OCCNC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)c1 768772430 OSGARXQHZBQXCM-UHFFFAOYSA-N 439.855 4.205 5 20 IIBD O=C(Nc1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)ccc1F)C1CCCCC1 768864979 FXNUIUNOGYCHCS-UHFFFAOYSA-N 427.479 4.115 5 20 IIBD Cc1nn(-c2ccc(C(=O)O[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)c(C)c1Cl 769403994 LTNVYQCCUZRASD-CQSZACIVSA-N 442.859 4.235 5 20 IIBD O=C(Cc1noc(COc2cccc([N+](=O)[O-])c2)n1)Nc1ccc(SC(F)F)cc1 770961212 XJDNGOQHZJIYJF-UHFFFAOYSA-N 436.396 4.053 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(C(F)F)CC2)c([N+](=O)[O-])c1N1CCC(C(F)F)CC1 771176717 VFFPEUKBYRYMSI-UHFFFAOYSA-N 434.390 4.466 5 20 IIBD C[C@H](OC(=O)c1cc(N(C)C)nc2ccccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 772302250 DYLDZJQFRPATKK-LBPRGKRZSA-N 442.859 4.046 5 20 IIBD COc1cc(F)c([C@H](C)N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OC 775416114 FFDCEXFORLUKSD-WDEREUQCSA-N 425.844 4.082 5 20 IIBD C[C@@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 776502168 FVOAMKASQIXEDA-QZTJIDSGSA-N 449.551 4.011 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCSCc1ccnc(Cl)c1 777453886 RBSJEJPYAYMXQI-LLVKDONJSA-N 430.313 4.114 5 20 IIBD Cc1cc(NC(=O)c2ccco2)sc1C(=O)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 778791375 NUVIROQWCQDTEW-MRXNPFEDSA-N 441.465 4.246 5 20 IIBD C[C@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc2ccccc2c1 778888546 VYRNYKCWCRITPN-ZDUSSCGKSA-N 444.390 4.384 5 20 IIBD COC(=O)[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc2c(c1)CCO2 779181990 NVTQISRSDKZBFG-NRFANRHFSA-N 442.855 4.447 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CN3CCC(O)(c4c(F)cccc4F)CC3)cs2)c1 779195446 FBYHBWPZOKNMNS-UHFFFAOYSA-N 431.464 4.480 5 20 IIBD Cc1ccc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OCC1CCOCC1 781649378 SQMPAYDUXDJDEE-UHFFFAOYSA-N 443.456 4.188 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N(CCOCC(F)(F)F)c2ccccc2)ccc1Cl 782304470 GVYKMUWLCGCECO-UHFFFAOYSA-N 438.811 4.022 5 20 IIBD CC(C)(C)OC(=O)Nc1cnc(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cn1 783521141 FNRRHZMNGOMNMK-UHFFFAOYSA-N 427.339 4.003 5 20 IIBD O=C(NOC[C@H]1CCOC1)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 788576519 VPXQCYNSEDBHJT-LBPRGKRZSA-N 442.415 4.463 5 20 IIBD Nn1c(SCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nnc1-c1cc(Cl)ccc1Cl 789760307 CFGCGUWSFBRERK-UHFFFAOYSA-N 441.256 4.074 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3oc(C(C)C)nc3c2)c(C)c1[N+](=O)[O-] 790385536 SWHFZTNQXNSUFP-UHFFFAOYSA-N 434.430 4.185 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Oc2ccc3c(C(F)(F)F)cc(=O)oc3c2)c1[N+](=O)[O-] 790820115 SBIPMCLILIFTRY-UHFFFAOYSA-N 443.355 4.105 5 20 IIBD C[C@]12CCN(C(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])C[C@@H]1C2(Cl)Cl 791190530 CRBBQDXUKFRTGN-JSGCOSHPSA-N 427.206 4.192 5 20 IIBD COc1ccc([C@@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2)cc1 791421822 RSKHNUUQTWAJIN-GFCCVEGCSA-N 431.297 4.088 5 20 IIBD CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 792808706 UKFWFYOKKCWEJB-UHFFFAOYSA-N 449.847 4.176 5 20 IIBD O=C(c1cc([N+](=O)[O-])c2nsnc2c1)N1CCCC[C@H]1c1ncc(-c2ccccc2)[nH]1 793890558 LODSYXIRRDPDOS-KRWDZBQOSA-N 434.481 4.357 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Oc2ccc(CNC(=O)OC(C)(C)C)cc2)cc1[N+](=O)[O-] 796033001 LHMSGBWCMRSRFJ-UHFFFAOYSA-N 436.486 4.004 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)O[C@@H]2CC(C)(C)Oc3ccccc32)ccc1[N+](=O)[O-] 799434389 PBLPBALFLDTHAD-PZJWPPBQSA-N 438.480 4.353 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 800150053 YWORBGAAWPTNIL-ZDUSSCGKSA-N 439.365 4.048 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C(C)(C)C1 800912307 UUBOMXQNUWHFDQ-HNNXBMFYSA-N 426.901 4.405 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 808468237 XWFGJZZOUSTSAH-WKILWMFISA-N 437.562 4.134 5 20 IIBD Cc1c(C(=O)Nc2cncc(Cl)c2Br)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 808873301 MUMBFHCANAVIAA-UHFFFAOYSA-N 429.614 4.183 5 20 IIBD O=[N+]([O-])c1ccc(N2CCCCC2)c(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)c1 809389302 WTBUOZGWZVJRDN-UHFFFAOYSA-N 438.444 4.198 5 20 IIBD CC[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC[C@@H]1NC(=O)OC(C)(C)C 809916391 IQNKSXRZBUENLR-OLZOCXBDSA-N 426.901 4.405 5 20 IIBD Cc1ccc(Br)cc1NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl 809917321 JORIKHIRMIVDLV-UHFFFAOYSA-N 441.669 4.079 5 20 IIBD CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 811373714 LBUZXWICMRJYRA-JTQLQIEISA-N 425.224 4.288 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccc(O)c(COC(C)C)c3)cc2)c(C)c1[N+](=O)[O-] 811595913 XLJLXHAVRWSJBV-UHFFFAOYSA-N 438.484 4.339 5 20 IIBD O=C(CCC(=O)c1ccc2c(c1)OCCO2)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F 815168117 WGGSZVSPBDJSJK-UHFFFAOYSA-N 439.342 4.091 5 20 IIBD COc1ccc(CSCC(=O)O[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] 816452527 BXRIADASCVEVGW-DYESRHJHSA-N 444.553 4.290 5 20 IIBD CC1(C)CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C[C@@H](C(F)(F)F)O1 816995152 NAJLYVGHDIDNQK-JTQLQIEISA-N 445.619 4.193 5 20 IIBD Nc1c(Cl)cc(-c2nc(-c3ccc(-n4cnc5ccccc54)nc3)no2)cc1[N+](=O)[O-] 904481290 OIJOBHHUPNZVIW-UHFFFAOYSA-N 433.815 4.281 5 20 IIBD O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 911613645 YPPKCESTCXKTDG-UHFFFAOYSA-N 439.324 4.056 5 20 IIBD C[C@@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(=O)Nc1ccc(OC(F)(F)F)cc1 917263434 OJMZOLWGTCLJGE-SNVBAGLBSA-N 438.314 4.424 5 20 IIBD CCN(Cc1ccccc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 917892222 ATWCYHMTCJFFSH-UHFFFAOYSA-N 433.711 4.222 5 20 IIBD COc1ccc(COC(=O)CSc2nccn2-c2cccc(Cl)c2)cc1[N+](=O)[O-] 918998634 OUJWIUBBHBBCJK-UHFFFAOYSA-N 433.873 4.278 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@@H](C)Oc1cccc(C(C)C)c1 919450491 MDHQABKBAQGKRL-HUUCEWRRSA-N 430.457 4.065 5 20 IIBD Cc1nccn1-c1ncccc1CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 919756773 SQVSXHKZLCTHJP-UHFFFAOYSA-N 429.436 4.206 5 20 IIBD COc1cc(Br)c(OC)c(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 1319471253 FASWVACFCVKERO-UHFFFAOYSA-N 435.274 4.179 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@@H]1CCCN(C(=O)c2ccccc2)C1 1320489196 CGRARAHFYQINFK-OAHLLOKOSA-N 436.390 4.040 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3c[nH]c(Br)c3)n2)c(Br)c1 1321120655 ASNYRICJWLFNQU-UHFFFAOYSA-N 428.040 4.089 5 20 IIBD O=C(CCc1cccc(OC2CCCC2)c1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1321475021 GEJIOVCBOMANCX-UHFFFAOYSA-N 437.540 4.193 5 20 IIBD COc1ccc(C(NC(=O)NCCc2cccc([N+](=O)[O-])c2)c2ccc(OC)cc2)cc1 1324480657 WTBUQKAHAGZPJH-UHFFFAOYSA-N 435.480 4.243 5 20 IIBD C[C@@H]1CC[C@H](C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccccc4[N+](=O)[O-])cc3)CCC2)O1 1792317785 MPWYQTSSTLFNDZ-DAJLPEFQSA-N 449.507 4.310 5 20 IIBD Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3cccc([N+](=O)[O-])c3)n[nH]2)c1 1814376061 MFVWYNRTAIKPKH-OAQYLSRUSA-N 447.495 4.175 5 20 IIBD Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3ccc([N+](=O)[O-])o3)n[nH]2)cc1 1814969529 HEEXEIAUTOSKHH-JARZOMNASA-N 449.467 4.239 5 20 IIBD CCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(F)c2[N+](=O)[O-])n[nH]1 1821174428 JIVFKFCEYULBNS-MRXNPFEDSA-N 431.468 4.199 5 20 IIBD Cc1c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CC3CC3)[nH]n2)cc(Cl)cc1[N+](=O)[O-] 1821291565 XYPPJILTOIAJKJ-QGZVFWFLSA-N 445.907 4.386 5 20 IIBD CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)CCCCC1 1823618264 SFWIBQVGSKKKAN-GOSISDBHSA-N 431.533 4.392 5 20 IIBD CC[C@H](C)CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830493171 ULYJXPKIWRFZAF-KKSFZXQISA-N 433.524 4.403 5 20 IIBD CC[C@H](C)CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830616805 OHRODYMLJMUSNS-JXFKEZNVSA-N 433.524 4.403 5 20 IIBD CC(C)/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cc(F)ccc2[N+](=O)[O-])CC1 1832888333 GQEKTHVNPGDGSF-VHTFYLNKSA-N 445.535 4.108 5 20 IIBD Cc1cc(CCCC(=O)N2CCCC23CN(C(=O)[C@H]2CCC[C@H]2C)C3)c([N+](=O)[O-])cc1F 1841507012 HPCDMYGOXXACRB-APWZRJJASA-N 445.535 4.005 5 20 IIBD COc1cc(COC(=O)c2ccc(-n3nc(C)cc3C)cc2)c([N+](=O)[O-])cc1OC(F)F 11273779 YEZJQOCMKKXTTR-UHFFFAOYSA-N 447.394 4.364 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NCC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1 15084969 NDOHTEUCUYLUDW-FQEVSTJZSA-N 434.452 4.295 5 20 IIBD O=C(CSc1nnc(Cc2cccs2)n1C1CC1)Nc1cc([N+](=O)[O-])ccc1F 17272743 DZJNCMOXNNTFMQ-UHFFFAOYSA-N 433.490 4.043 5 20 IIBD O=C(COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)N[C@H](c1ccccc1)c1cccs1 18170425 LTAVWRNOLMCCHQ-LJQANCHMSA-N 430.869 4.372 5 20 IIBD CCOc1ccccc1NC(=O)[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccccc1 21761145 GIGXOKJCWSFAEN-OAQYLSRUSA-N 435.436 4.113 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCSc1nnc(-c2ccco2)n1CC(C)C 26343268 WVYHWWSZLIQSCY-UHFFFAOYSA-N 445.501 4.232 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCC[C@@H](N4[C@@H](C)CC[C@H]4C)C3)cc2[N+](=O)[O-])CC1 64726182 XMJGDWZJWHBPSQ-SVFBPWRDSA-N 428.577 4.309 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 64737718 PZMWPYRNHKQHCE-YUNKPMOVSA-N 432.860 4.054 5 20 IIBD CCCOc1ncccc1CNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 109116155 XNYOSBNXGNXQKO-UHFFFAOYSA-N 429.420 4.206 5 20 IIBD CC(C)CC(=O)Nc1ccc(Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])cc1 301266610 UJIMYRRSZWIYQN-UHFFFAOYSA-N 427.429 4.319 5 20 IIBD Cn1ccnc1C(=O)c1ccc(Oc2ccc(NC(=O)c3ccco3)cc2)c([N+](=O)[O-])c1 301270827 QWCJBHWBYQICHV-UHFFFAOYSA-N 432.392 4.197 5 20 IIBD CCOC(=O)c1ccnc(N2CCC(c3nc4cc(Cl)ccc4o3)CC2)c1[N+](=O)[O-] 301330419 KYJHTGLWHFDHTB-UHFFFAOYSA-N 430.848 4.345 5 20 IIBD O=C(N1CCC(CNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1)C(F)(F)F 301570612 NPVCALIDXYQSFT-UHFFFAOYSA-N 433.736 4.480 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CCC[C@@](C)(c3ccccc3)C2)cc1[N+](=O)[O-] 303588559 OHLPHVXXDLDGSE-JOCHJYFZSA-N 437.525 4.068 5 20 IIBD CCCCCN(Cc1ccc(Cl)cc1)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 409598122 DFUJYKHYLLCENE-UHFFFAOYSA-N 438.933 4.484 5 20 IIBD O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1nc(C2CC2)c(Cc2ccccc2F)s1 409672741 SRWOEGHXGQCIFI-UHFFFAOYSA-N 433.486 4.459 5 20 IIBD C[C@@H]1[C@H](CO)CCN1C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 427825732 ZAOMAZMTHTVRQC-OCCSQVGLSA-N 429.523 4.199 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CN1CCOC[C@H]1c1c(C)nn(Cc2ccccc2)c1C 430216231 IKTVRSBWPHMWSS-QFIPXVFZSA-N 436.512 4.039 5 20 IIBD O=C(NCc1ccc(NC(=O)c2ccco2)cc1)c1cc(Br)cc([N+](=O)[O-])c1 431464478 KEZNNAWVCRCUIH-UHFFFAOYSA-N 444.241 4.133 5 20 IIBD C[C@@H](c1ccccc1)[C@H](NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C(N)=O 433169916 ZBCSWWYLSDZUFT-BTYIYWSLSA-N 434.452 4.166 5 20 IIBD CCCN(C(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)C 433603815 LDJFQNSFVAZGTH-UHFFFAOYSA-N 439.921 4.310 5 20 IIBD C[C@@H](CC(=O)c1ccco1)NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 434297619 QHLOYGSQIYSEFM-JTQLQIEISA-N 437.239 4.072 5 20 IIBD O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 435660362 UYTJLTSMQKOPNH-UHFFFAOYSA-N 441.749 4.173 5 20 IIBD Cc1cc(O)c(C(C)C)cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 439235724 QFSWDDXJQSCQNM-FQEVSTJZSA-N 425.485 4.284 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)NC2(c3noc([C@@H]4CCOC4)n3)CCCCCC2)c1 440094985 ANGZJXAQHMPBOF-CQSZACIVSA-N 446.529 4.183 5 20 IIBD CC(C)C(=O)N1CCCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 442731686 SWROIWJZIDFFEQ-UHFFFAOYSA-N 427.526 4.077 5 20 IIBD COCc1nc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c(-c2ccccc2)s1 442872558 IFNYMOCPJLCSBP-AEFFLSMTSA-N 427.530 4.335 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 442931416 JRVOLCMITLYYOJ-RTBURBONSA-N 449.301 4.221 5 20 IIBD Cc1ccc(CN(Cc2ccco2)C(=O)c2cnc(O)c([N+](=O)[O-])c2)c(Br)c1 443044820 GTYHXCCURSIUNA-UHFFFAOYSA-N 446.257 4.202 5 20 IIBD CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 443887498 WJCDRRKMZAQFDX-UHFFFAOYSA-N 431.361 4.096 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCSc3ccc(F)cc32)c(Br)c1 446948149 MMMQPCOCDKWVSA-ZDUSSCGKSA-N 447.307 4.012 5 20 IIBD C[C@H](c1ccccc1Cl)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 447018321 SNHNTJUATRRPBL-SNVBAGLBSA-N 433.711 4.392 5 20 IIBD Cn1ccc([C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c2ccc(Cl)cc2)n1 460233600 VDWQAXKZSZRTGX-OAQYLSRUSA-N 439.903 4.445 5 20 IIBD O=C(Nc1cccc(CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)c1)C1CCC1 462498873 GWXKNNXNCJIWNC-UHFFFAOYSA-N 432.480 4.920 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1cc2c(cn1)CCCC2 462999216 XNJWEURNUUEFNZ-UHFFFAOYSA-N 437.237 4.034 5 20 IIBD Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 463240521 RKJZKFPWSOOQOR-CQSZACIVSA-N 446.301 4.157 5 20 IIBD C[C@H](NC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1)c1cccc([N+](=O)[O-])c1 463272190 IXPSRIUPXRSXBR-DJJJIMSYSA-N 438.311 4.152 5 20 IIBD CN(C)CCn1ccc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Br)cc21 465139060 MJILRUBWLITHSX-UHFFFAOYSA-N 431.290 4.126 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc2ccn(CCN(C)C)c2c1 465141670 YUGLSIFKTVRRMS-AWEZNQCLSA-N 430.892 4.171 5 20 IIBD CCOCCOCc1cccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1C 465332728 JFTBOAYDIHBGSN-UHFFFAOYSA-N 441.528 4.311 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)CCC(=O)OC(C)(C)C)cc1 468218056 GVIPIBVYLOFYHA-UHFFFAOYSA-N 430.457 4.200 5 20 IIBD CCc1ccc([C@H]2CCCCCN2C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)o1 469464430 IZHKBITWHNQDOP-GOSISDBHSA-N 439.468 4.161 5 20 IIBD COc1ccc(CNC(=O)C(=O)Nc2cccc(CSC3CCCC3)c2)cc1[N+](=O)[O-] 473218657 JKNGLYZGBQEYCI-UHFFFAOYSA-N 443.525 4.034 5 20 IIBD C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 474877540 KEOCFWGPRQZZFS-QWHCGFSZSA-N 438.311 4.282 5 20 IIBD Cc1cccc2nc(CNC(=O)c3ccc(N[C@@H](C)c4ccccn4)c([N+](=O)[O-])c3)n(C)c12 475443789 VLDMSJQHRKPMFC-INIZCTEOSA-N 444.495 4.288 5 20 IIBD COC(=O)[C@H](Cc1ccc(C)cc1)S[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 477064555 GXVCLIRHVCBUSG-UGSOOPFHSA-N 436.917 4.401 5 20 IIBD O=C1[C@@H](NCc2ccc([N+](=O)[O-])cc2F)CCCN1Cc1cccc(C(F)(F)F)c1 478275819 NNCZXDFJVKHYOB-SFHVURJKSA-N 425.382 4.034 5 20 IIBD CC1(c2cccc(Cl)c2)CCN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 478438236 LBXMWUURSBDJEQ-UHFFFAOYSA-N 447.944 4.020 5 20 IIBD Cc1cc(OCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)c(F)cc1[N+](=O)[O-] 479153401 BCPRLEYFGYNOFK-MRXNPFEDSA-N 429.429 4.454 5 20 IIBD Cc1c(CNC(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] 479724938 XQLDPTLVQMHBRD-OXJNMPFZSA-N 434.899 4.188 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@H](c1ccccc1OC(F)F)C(F)(F)F 482404519 WDLAFLMEHZIUHB-OAHLLOKOSA-N 448.348 4.211 5 20 IIBD C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 484367063 IUOJLWZYISJWPN-CYBMUJFWSA-N 437.481 4.454 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)S(=O)(=O)Cc1cccc(C(=O)N2CCCCC2)c1 485233638 SCNZNUHTQYOGIK-KRWDZBQOSA-N 430.526 4.205 5 20 IIBD COc1cccc(CC2(C(=O)N3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)CCCCC2)c1 486394697 NKWMDFSHQFBSIZ-LJQANCHMSA-N 438.528 4.204 5 20 IIBD O=C(c1ccccc1)N1CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 486434492 MNQHGHCJAUIMSR-UHFFFAOYSA-N 447.516 4.344 5 20 IIBD COc1cc(C(=O)Nc2cc(F)ccc2OCC2CC2)c([N+](=O)[O-])cc1OC(F)F 486853673 IAZWWPBMGCTPFP-UHFFFAOYSA-N 426.347 4.385 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](COc1ccccc1F)C(C)(C)C 489040677 WBVGVSBAEXVCRV-VLIAUNLRSA-N 433.480 4.153 5 20 IIBD CCc1nnc(-c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3SCCOC)c2)o1 489901523 RIHAUKBJZJCBLS-UHFFFAOYSA-N 428.470 4.198 5 20 IIBD Cc1ccc(-n2cnc3c2CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C3)cc1 490335773 MUEGQGARUNIJOB-UHFFFAOYSA-N 440.887 4.096 5 20 IIBD O=C(NCc1ccccc1CN1CCCCCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 493913118 UEIAWYKQTPCHJB-UHFFFAOYSA-N 433.512 4.087 5 20 IIBD C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 495316916 RJRITHOTGIFXQF-CQSZACIVSA-N 434.481 4.132 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCc2ncc(-c3ccccc3)[nH]2)cc1[N+](=O)[O-])c1ccccn1 497523720 OVJALMJRYIVFNT-MRXNPFEDSA-N 442.479 4.483 5 20 IIBD CC[C@H](NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F 498369062 IQUPLLUQRDVGMN-ICSRJNTNSA-N 434.418 4.239 5 20 IIBD CCOc1ccc(C2(CNC(=O)c3cc(SC)ccc3[N+](=O)[O-])CCOCC2)cc1 500844905 BPYVPNDCFWBPLQ-UHFFFAOYSA-N 430.526 4.194 5 20 IIBD CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 501160255 LIHJRIDFUAEWMT-INIZCTEOSA-N 449.467 4.088 5 20 IIBD C[C@H](NC(=O)C1(c2ccc(I)cc2)CC1)c1cccc([N+](=O)[O-])c1 503157857 JICCBVOUVSPBLX-LBPRGKRZSA-N 436.249 4.108 5 20 IIBD COc1cc([C@H](C)NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)ccc1OC1CCCC1 503475356 LMOSWSNCNUYEJK-INIZCTEOSA-N 448.541 4.148 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CN1CCC(C(=O)Nc2ccc(Br)cc2)CC1 504471622 SNDOCBXGBDJPAE-UHFFFAOYSA-N 448.317 4.217 5 20 IIBD CCOc1ccc([C@H](C)N[C@@H](c2cc(OC)cc(OC)c2)c2nccn2C)cc1[N+](=O)[O-] 504930751 SLEQVVJOUPYRHP-NYHFZMIOSA-N 440.500 4.184 5 20 IIBD COc1ccc(-c2ccc(CN3CCC[C@@H](c4nnc5ccccn45)C3)o2)c([N+](=O)[O-])c1 506151964 ULNRXOZWRCSGLB-MRXNPFEDSA-N 433.468 4.286 5 20 IIBD CCCCN(Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 506761252 YADUNFLTXQTEOI-SFHVURJKSA-N 436.505 4.315 5 20 IIBD O=C(CC[S@](=O)Cc1ccc(Br)c(Cl)c1)Nc1ccccc1[N+](=O)[O-] 507691171 BYNXFTCQWONNKG-VWLOTQADSA-N 445.722 4.288 5 20 IIBD COc1cc(CN(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c([N+](=O)[O-])cc1OC 509378196 IOLBIXDQTAXFBU-LPHOPBHVSA-N 427.284 4.009 5 20 IIBD CC(C)Oc1ccc([C@H](CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)N(C)C)cc1 512918487 PZIVXLZEQJLMNJ-QHCPKHFHSA-N 440.544 4.359 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc([C@@H](c3c(F)cccc3Cl)N3CCCCC3)n2)nc1 515182184 ONZUDXOPJYWUBL-LJQANCHMSA-N 431.855 4.331 5 20 IIBD COc1ccc(C2=NN(C(=O)COc3cccc([N+](=O)[O-])c3C)[C@H](c3ccco3)C2)cc1 515571448 POTUCDHNZLONHO-FQEVSTJZSA-N 435.436 4.262 5 20 IIBD Cn1cc([N+](=O)[O-])cc1C(=O)Nc1c(-c2ccc(Cl)cc2)c(C(F)(F)F)nn1C 518310157 XLYLKWFYYQXAJL-UHFFFAOYSA-N 427.770 4.258 5 20 IIBD COc1ccc(C)cc1-c1csc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)n1 519974114 DGKXJPIMMYFZSH-UHFFFAOYSA-N 429.454 4.061 5 20 IIBD O=C(Nc1cccc(C[S@@](=O)C2CCOCC2)c1)c1cc2cc([N+](=O)[O-])ccc2o1 523756070 YNQXMNQTOXYZTP-SSEXGKCCSA-N 428.466 4.021 5 20 IIBD CCOCCOc1ccc(Cl)cc1NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 524456801 MQKBVLPWZZSBRQ-UHFFFAOYSA-N 444.875 4.316 5 20 IIBD COc1cc(C(=O)Nc2ccc(Sc3nnc(C)s3)cc2C)cc([N+](=O)[O-])c1OC 525553423 QLPXBKNVGRYGCQ-UHFFFAOYSA-N 446.510 4.484 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 532081816 FMPYFJBJEJHGQS-UHFFFAOYSA-N 436.443 4.328 5 20 IIBD Cc1noc(C)c1CN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1c(C)noc1C 532976513 FNOGDGNPQIZSCJ-UHFFFAOYSA-N 441.488 4.144 5 20 IIBD CC(C)n1cc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Br)ccc2n1 533005553 TURAPOHKIQBYLY-UHFFFAOYSA-N 439.291 4.089 5 20 IIBD COc1cc(CNc2ccc3c(c2)C(=O)N(C)CC3)ccc1OCc1ccc([N+](=O)[O-])cc1 533218333 IJNPGWDQOLJNCP-UHFFFAOYSA-N 447.491 4.423 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(c3ccccc3F)CC2)c(C(F)(F)F)c1 533328631 QQTNFFDUURNWSM-UHFFFAOYSA-N 432.395 4.321 5 20 IIBD C[C@H](N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H](OC1CCOCC1)c1ccccc1 537946352 AVIAIBGRPAVRPC-NXMSCROESA-N 441.528 4.227 5 20 IIBD Cc1nc([C@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c2ccc(Cl)cc2)no1 538891786 NDNSKVXIHINHKT-OAHLLOKOSA-N 440.765 4.478 5 20 IIBD O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 541323157 GQAAIDBRLZIBPM-BDJLRTHQSA-N 438.324 4.247 5 20 IIBD CC(C)n1nnnc1-c1ccccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 542345893 KZMPSSYAPKEUOK-UHFFFAOYSA-N 438.491 4.028 5 20 IIBD C[C@@H](C(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1)c1ccc([N+](=O)[O-])cc1F 542619693 MKRUMIOONVUTRF-SECBINFHSA-N 434.225 4.024 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 545387623 ZRHWUOHNWSAGII-GOSISDBHSA-N 439.331 4.318 5 20 IIBD CCO[C@@H]1C[C@H](NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)[C@]12CCCO2 546057277 XATAECWPNUJDCT-TUNNFDKTSA-N 428.510 4.202 5 20 IIBD Cc1ccc(-c2nnc([C@H](C)Sc3nc4cc([N+](=O)[O-])ccc4c(=O)n3C)o2)cc1C 547252510 QFELTWUZNHCDCG-ZDUSSCGKSA-N 437.481 4.362 5 20 IIBD O=C(N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 553486550 VMRKOASTEOHEHN-SFHVURJKSA-N 429.358 4.295 5 20 IIBD CCc1ccc([C@@H]2CCCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)C2)cc1 553589345 JKDXULVHSVSYAC-MOPGFXCFSA-N 441.553 4.230 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccc(OC(F)F)cn2)cc1[N+](=O)[O-])c1ccccn1 554299926 SOAFGVBKKMXOIW-GFCCVEGCSA-N 429.383 4.412 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)NC2(c3cccc(C(F)(F)F)c3)CCOCC2)c1 554941934 ANZPUMKNXCYMIK-UHFFFAOYSA-N 438.402 4.448 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNCc3ccncc3OC[C@@H]3CCOC3)s2)cc1 567078720 LXYWAGSONYGXMY-MRXNPFEDSA-N 425.510 4.423 5 20 IIBD COCC1(c2noc([C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)CCCCC1 577667038 XCSLDYNMEODVKB-GOSISDBHSA-N 428.489 4.112 5 20 IIBD COc1ccccc1[C@H](CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])N1CCCCC1 582021031 OTEPGLGOVWBFAZ-QFIPXVFZSA-N 440.544 4.015 5 20 IIBD C[C@@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(OCc2cccnc2)cc1 582160993 GVSSZFHMNMROSL-QGZVFWFLSA-N 432.480 4.398 5 20 IIBD C[C@@H]1CN([C@H](CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c2c(F)cccc2Cl)CCO1 583299774 PFGSFPLORBJRGM-STXHMFSFSA-N 449.910 4.069 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](Cn1cccn1)c1ccccc1 585699778 CWRKJWYTGISNEI-GOSISDBHSA-N 429.274 4.034 5 20 IIBD O=C(NC1(C(F)F)CCCC1)c1ccc(C(=O)NC2(C(F)F)CCCC2)c([N+](=O)[O-])c1 589949224 VJOMBSXZYBZEMJ-UHFFFAOYSA-N 445.413 4.210 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CCCc4c(F)cc(F)cc43)cc2)c(C)c1[N+](=O)[O-] 603619811 LAEIFDVKQPXERQ-UHFFFAOYSA-N 426.423 4.328 5 20 IIBD COc1ccc(COCc2cccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)c2)cc1 604465944 UAYHZCWLDDFDOV-UHFFFAOYSA-N 425.416 4.294 5 20 IIBD CCOc1cc(Br)c(NC(=O)CNc2ccccc2[N+](=O)[O-])cc1OCC 604483058 DWJDEXINLJKWGQ-UHFFFAOYSA-N 438.278 4.205 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccc(-c3ncon3)cc2)cc1[N+](=O)[O-])c1ccccn1 608874865 KONLXMKKQUZTLL-AWEZNQCLSA-N 430.424 4.465 5 20 IIBD CC(C)N(Cc1cccc(Br)c1)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 608935116 GILNINIFIRLGAC-UHFFFAOYSA-N 435.274 4.179 5 20 IIBD COc1ccc(C[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)c2ccccc2)cc1OC 608968778 SWWNFFALVYNNNW-HXUWFJFHSA-N 446.463 4.202 5 20 IIBD Cc1cc(NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1Oc1cccnc1 609392225 VUEJLVVNHPOWMB-UHFFFAOYSA-N 440.843 4.112 5 20 IIBD Cc1cc(S(=O)(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] 609673453 AWTSHDVFYTVVGP-NXEZZACHSA-N 434.358 4.091 5 20 IIBD Cc1ccc(CCNC(=O)c2ccc(C(=O)NCCc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1 609710342 AYAZOPWLUHMZDK-UHFFFAOYSA-N 445.519 4.157 5 20 IIBD COc1cccc(COCC(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)c1 609816629 BCEDYGQXKBGKIF-UHFFFAOYSA-N 448.435 4.204 5 20 IIBD Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1C 609853378 OAMWQZDAHQLCEY-IBGZPJMESA-N 445.903 4.125 5 20 IIBD Cc1nc(C)c(CCNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)s1 609881373 ILKWKVILJJKZLO-UHFFFAOYSA-N 440.312 4.133 5 20 IIBD O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1ccc([N+](=O)[O-])cc1Br 610042177 IQXLCGZJORWTQG-INIZCTEOSA-N 431.246 4.337 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)c1 610227417 RSABJHRHLVFOKW-UHFFFAOYSA-N 446.301 4.157 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC(c2nc(-c3ccccc3)no2)CC1 611148567 ATWPZXGLVURONV-UHFFFAOYSA-N 431.452 4.075 5 20 IIBD O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611295204 ABPMFBBQTCXFID-INIZCTEOSA-N 439.537 4.444 5 20 IIBD CN(C(=O)[C@@H]1CCCN1C(=O)c1cccs1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 611400763 NAEDWULYURZUBA-INIZCTEOSA-N 442.522 4.047 5 20 IIBD Cc1nc(-c2cccc(NC(=O)COC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])c2)cs1 725936130 TZMBIPZFMGMTFB-UHFFFAOYSA-N 433.392 4.100 5 20 IIBD CC[C@H](C)n1ncc2c(C(=O)OCC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])cc(C)nc21 725953291 AXFOZBOLSUAYHX-LBPRGKRZSA-N 445.863 4.068 5 20 IIBD CCCN(CC)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cn1 725968897 IRTPOTXHHCNURZ-ZDUSSCGKSA-N 434.880 4.064 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c2nonc12 726594878 OLXVFGBIKXCKMC-GFCCVEGCSA-N 426.820 4.218 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)c1ccc(F)cc1 728245663 LUIUNOVWZBQKPJ-UHFFFAOYSA-N 425.328 4.114 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)Oc1ccc(-c2noc([C@H]3CCCO3)n2)cc1 729115883 XPFFEXJLGPOVPY-QGZVFWFLSA-N 427.438 4.194 5 20 IIBD O=C(Cc1ccc(Cl)cc1Cl)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730710205 YFQXSABUWDYJOV-OAHLLOKOSA-N 437.279 4.292 5 20 IIBD O=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)c1cc([N+](=O)[O-])ccc1Br 730756931 COSWUBSANQKIEA-CYBMUJFWSA-N 439.237 4.307 5 20 IIBD CNc1ccc(C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc1[N+](=O)[O-] 732151753 BXHVIRKKXBSRGZ-UHFFFAOYSA-N 426.473 4.182 5 20 IIBD COc1c([N+](=O)[O-])cc(NC[C@@H](C)Oc2ccccc2)c([N+](=O)[O-])c1Br 733792687 SIALVVOKCSGXJE-SNVBAGLBSA-N 426.223 4.154 5 20 IIBD O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1cc(Cl)cc([N+](=O)[O-])c1 735994115 AIEVCLWXLSGOEB-UHFFFAOYSA-N 444.900 4.461 5 20 IIBD CC(=O)N(Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1)C1CC1 736042649 SYRLWIRSSQPPLC-UHFFFAOYSA-N 436.512 4.348 5 20 IIBD C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 738810761 UBPACESTCYVPSE-LBPRGKRZSA-N 425.359 4.402 5 20 IIBD C[C@@H](Oc1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cc1)C(N)=O 741634312 ZMBWHVATRVFCEK-CQSZACIVSA-N 438.461 4.218 5 20 IIBD CS[C@@H]1CC[C@@H](NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 742742598 RQOWTDNRWLSIJF-HUUCEWRRSA-N 431.480 4.230 5 20 IIBD Cc1c(C(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 742944074 HONWGYJZRJROHV-SNVBAGLBSA-N 431.792 4.006 5 20 IIBD CC(C)[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)N1C[C@H](C)C[C@@H](C)C1 745565459 NUZCUACVNRTWFX-PBFPGSCMSA-N 430.423 4.300 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)CCC2CCOCC2)c2ccccc2)c([N+](=O)[O-])c1 745658405 GMVNCTGEMKVPCF-QFIPXVFZSA-N 426.469 4.333 5 20 IIBD CCC(C)(C)CC(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 745977792 ZFYXBQHLFFQHLC-XNTDXEJSSA-N 439.921 4.227 5 20 IIBD COc1cc(C(=O)NOCc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])cc1OC(F)F 746529627 XDSGECKQRLSXPM-UHFFFAOYSA-N 436.289 4.085 5 20 IIBD CCc1ccc(C(=O)O[C@@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1[N+](=O)[O-] 747010035 DIHYNFVUUCCFLD-ZETCQYMHSA-N 432.301 4.037 5 20 IIBD Cc1c(C(=O)NCc2ccc(CN3CCC[C@H](C)C3)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748708058 HTFDMHQMQCIWBK-HNNXBMFYSA-N 440.500 4.282 5 20 IIBD O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cccc(Cl)c1[N+](=O)[O-] 750155037 YAEKUHWJMARJCZ-UHFFFAOYSA-N 429.782 4.356 5 20 IIBD CN(Cc1ccc([S@@](C)=O)cc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 750894447 XHLQXJVSSOIAJZ-RUZDIDTESA-N 445.722 4.020 5 20 IIBD C[C@H](OC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1 750963734 HWPFSADGVYHCJZ-VIFPVBQESA-N 427.638 4.195 5 20 IIBD C[C@@H](OC(=O)c1ccc(CCC(F)(F)F)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 751886300 FGVDBCPJUFEHSV-LLVKDONJSA-N 428.338 4.413 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N(C)CCCc2cc(-c3ccccc3)n[nH]2)cc1[N+](=O)[O-] 752235231 IZRULMUISOFJFX-UHFFFAOYSA-N 448.932 4.200 5 20 IIBD CC(C)[C@H](OC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)N[C@H]1CCOc2ccccc21 755066804 OXVASCWXENHAPI-JBYOLUDKSA-N 444.459 4.045 5 20 IIBD COc1ccc(CCC(C)=O)cc1OS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 755185884 WCKXRUATRYBGTJ-UHFFFAOYSA-N 448.280 4.200 5 20 IIBD CC(C)(C)OC(=O)N1CCC(n2cc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cn2)CC1 758383525 MVGJFDAUIIAHMY-UHFFFAOYSA-N 430.465 4.007 5 20 IIBD Cc1ccc(CNC(=O)C2CCN(c3ccc([N+](=O)[O-])cc3OC(F)F)CC2)cc1F 760475933 GHDAHIHJSCAUQC-UHFFFAOYSA-N 437.418 4.177 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 760521596 IDUOCNOPEDIPCQ-GOSISDBHSA-N 439.443 4.344 5 20 IIBD Cc1c(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cccc1C(F)(F)F 760670502 OLLVELFLIBZXAX-NSHDSACASA-N 425.338 4.053 5 20 IIBD C[C@H](C(=O)Oc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 761417753 CVZWPOBMBVJZNS-INIZCTEOSA-N 440.477 4.129 5 20 IIBD CC(C)(C)Sc1ccc(-c2noc(-c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)n2)cn1 762336267 PJWMYXXUBIOUQB-UHFFFAOYSA-N 434.499 4.001 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1cc(Cl)nc(Cl)c1 762916386 HBAXVCNBRBBTJJ-UHFFFAOYSA-N 445.280 4.309 5 20 IIBD CCCN(C(=O)c1cc(C(=O)N(CCC)c2cccnc2)cc([N+](=O)[O-])c1)c1cccnc1 763501776 SYFWNJPFPSFMEC-UHFFFAOYSA-N 447.495 4.498 5 20 IIBD C[C@H](C(=O)OC[C@@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 764018575 MSKKTEXQDSQCOJ-ORAYPTAESA-N 446.422 4.431 5 20 IIBD Cc1nn(CN2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)c2ccc([N+](=O)[O-])cc12 764987878 KZKKSLNWJBVDTA-UHFFFAOYSA-N 432.402 4.223 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3CCN(c4ccc(Br)cc4)C3)CC2)cc1 765706595 OIAIOBQNXLBXII-GOSISDBHSA-N 445.361 4.195 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 767322881 UJAJPHIQEUBTCH-QGZVFWFLSA-N 435.864 4.045 5 20 IIBD COc1cccc(C(=O)OCc2csc(N(C(C)=O)c3ccc(C)cc3)n2)c1[N+](=O)[O-] 769579727 POPRUVXKRSZJOU-UHFFFAOYSA-N 441.465 4.410 5 20 IIBD COc1cccc(Br)c1OC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 769714886 YKFFCMMGYANEBQ-VIFPVBQESA-N 430.638 4.392 5 20 IIBD O=C(Oc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 771480384 JWVNBVBLAULWTP-INIZCTEOSA-N 427.215 4.251 5 20 IIBD CCn1c(SCC(=O)Oc2cc(F)cc([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1 771488119 GRUDIYMOYZMQAQ-UHFFFAOYSA-N 436.852 4.363 5 20 IIBD O=C(NCCSCc1ccnc(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 771488648 JPIFWUMRMQXCSL-UHFFFAOYSA-N 434.949 4.297 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)ccc1N1C(=O)CCC1=O 775485777 DTKWCGBGEPKXPM-UHFFFAOYSA-N 427.482 4.309 5 20 IIBD Cc1cccc(N2C[C@H](C(=O)O[C@@H](c3cccnc3)c3ccccc3[N+](=O)[O-])CC2=O)c1C 776134950 DRKZPENTUDZTTG-DVECYGJZSA-N 445.475 4.292 5 20 IIBD CCN(Cc1cccc(NC(=O)c2cccc(SC)c2[N+](=O)[O-])c1)C(=O)C(F)(F)F 776773966 GJGYCQSBCMFZHT-UHFFFAOYSA-N 441.431 4.480 5 20 IIBD CSc1cccc(C(=O)NC[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)c1[N+](=O)[O-] 777136344 UYHPBDHASVBECV-INIZCTEOSA-N 434.823 4.150 5 20 IIBD O=[N+]([O-])c1cc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)ccc1Cl 777596708 ZWQNXHYNPYCLRI-NSHDSACASA-N 447.296 4.118 5 20 IIBD COc1ccc(Cn2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)n2)cc1 777937173 BZRIDNOVKZALKB-UHFFFAOYSA-N 435.484 4.091 5 20 IIBD CCOCCOc1ccc(Br)cc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 779033034 IRPGOEAAWJOMCX-BJMVGYQFSA-N 435.274 4.425 5 20 IIBD CCN(CCCOC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)CC(F)(F)F 781256530 LZMWZXWNTCIFIV-UHFFFAOYSA-N 442.384 4.391 5 20 IIBD O=C(COC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)N[C@H](c1ccccc1)C1CC1 781260221 OLTARQXZZXFCNV-XMMPIXPASA-N 426.472 4.106 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c1 781610827 SWIGUBUOGOUPEB-SFHVURJKSA-N 444.419 4.213 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCc2c(C(F)(F)F)nn(C)c2Cl)cc1SC 782333191 UKVGIKCCKIBWJY-UHFFFAOYSA-N 439.799 4.088 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 787412211 NBXBFVSONNLSLA-UHFFFAOYSA-N 446.435 4.376 5 20 IIBD COc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(OC(C)C)c1 789216926 PNYMNVPOUSXITC-GFCCVEGCSA-N 436.848 4.228 5 20 IIBD Cc1cnc(COC(=O)Cc2c(C)[nH]c3ccc(Br)cc23)c(C)c1[N+](=O)[O-] 789437628 NREVYXJUCZDXBA-UHFFFAOYSA-N 432.274 4.445 5 20 IIBD Cc1cnc(COC(=O)C[C@@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(C)c1[N+](=O)[O-] 789445437 SEUAUUCGFYUMRA-PBHICJAKSA-N 435.521 4.323 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])OCc1cccc(C(=O)NCc2ccco2)c1 790742705 KPZSIBFGLKSECE-UHFFFAOYSA-N 446.818 4.196 5 20 IIBD Cc1oncc1C(=O)Nc1ccc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])cc1 790841553 TYSSFBXREKPJGN-UHFFFAOYSA-N 432.795 4.117 5 20 IIBD COC(=O)c1occc1COC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 791293979 DNYVQGFGEOLKHQ-UHFFFAOYSA-N 434.451 4.248 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Oc1cc(F)c(Cl)cc1Br 795353027 JHRYJPIGXWWQSO-UHFFFAOYSA-N 428.594 4.057 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1ccc(N2CCCCC2)c2ncccc12 795654575 ZGINRMUUBROADX-UHFFFAOYSA-N 430.461 4.073 5 20 IIBD O=c1cc(-c2ccc([N+](=O)[O-])cc2)c2ccc(OS(=O)(=O)c3ccsc3)cc2o1 795760227 PFLAJUUNBQGFHM-UHFFFAOYSA-N 429.431 4.197 5 20 IIBD O=[N+]([O-])c1ccc(N2CCCCC2)c(-c2nc([C@H]3CN(Cc4ccccc4)CCO3)no2)c1 795764363 DHIMXCQSQOHXMI-JOCHJYFZSA-N 449.511 4.209 5 20 IIBD COc1ccc(CN(CC2CC2)C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c(OC)c1 800367966 WPVMFKBZKIBAQA-UHFFFAOYSA-N 436.867 4.386 5 20 IIBD COC(=O)c1sccc1COC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 801238704 NSFJZXHBWHLEHH-ZDUSSCGKSA-N 441.465 4.368 5 20 IIBD COC(=O)c1cccc(Cl)c1COC(=O)Cn1c2ccccc2c(=O)c2ccccc21 803269869 HGVFGYOILNHDST-UHFFFAOYSA-N 435.863 4.338 5 20 IIBD C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 807454647 RQONTEUQWQZWES-NSHDSACASA-N 443.809 4.295 5 20 IIBD C[C@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(S[C@H]2CCCCNC2=O)cc1 809049591 YQPUUMMLVKXEPF-YWZLYKJASA-N 428.510 4.203 5 20 IIBD O=C(OC/C=C\c1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 809101923 PFIREXIXDNGETH-MPNWYJEXSA-N 439.251 4.356 5 20 IIBD CC[C@@H]1[C@H](c2nc(CCNc3ccccc3[N+](=O)[O-])no2)CCN1C(=O)OC(C)(C)C 810289364 UYOXXUSQNHELKR-GDBMZVCRSA-N 431.493 4.135 5 20 IIBD CON(C)C(=O)C1CCN(Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 812780255 XXYCQDISTVBDJP-UHFFFAOYSA-N 429.542 4.286 5 20 IIBD CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 813159078 XEDHAQOQELBBHH-PPYMECGQSA-N 426.416 4.044 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C(=O)Nc1ccc2ccccc2c1 814482904 LWOGJZNJCGWSIP-CYBMUJFWSA-N 425.416 4.137 5 20 IIBD CN(C)c1cc(F)c(C(=O)NC2(Cc3ccccc3Br)CC2)cc1[N+](=O)[O-] 817042619 LSZLXMOTURBFDM-UHFFFAOYSA-N 436.281 4.068 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)CC2)C1 817194908 OAFPGDSLVXZQNG-UHFFFAOYSA-N 449.523 4.261 5 20 IIBD N=C(NCc1ccc(OC(F)(F)F)cc1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 849109577 ZBCFTIOJPVFLOS-UHFFFAOYSA-N 436.312 4.326 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)c1ccc2ccccc2c1 864095034 VMMPUYIBLVLJPL-OAQYLSRUSA-N 437.521 4.263 5 20 IIBD NC(=O)c1cccc(COC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c1 914889171 ODBUQPAISAXGLI-UHFFFAOYSA-N 426.812 4.496 5 20 IIBD Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3cc([N+](=O)[O-])c(F)cc3F)cc2)cc1 916042924 LWLNEGXYYIFSHG-UHFFFAOYSA-N 446.431 4.408 5 20 IIBD Cc1nccn1-c1ncccc1CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 919760767 QEIBTPOYMXJHPZ-UHFFFAOYSA-N 442.479 4.026 5 20 IIBD C[C@@H](OC(=O)CNc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1C(F)(F)F 920603334 XTMNSLSHSULSCB-SNVBAGLBSA-N 445.781 4.249 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)C1(Sc2ccccc2)CC1)c1ccccc1[N+](=O)[O-] 1319443486 LBZNJPBCAHVOSI-GOSISDBHSA-N 428.510 4.419 5 20 IIBD O=C(c1sccc1-c1ccc(F)cc1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1322199268 FYAYTYCCPXDDIK-UHFFFAOYSA-N 425.485 4.420 5 20 IIBD Cc1ccn(-c2cccc(-c3nc(Cc4ccc([N+](=O)[O-])cc4Br)no3)c2)n1 1323915587 LMGGUQRWDITWBI-UHFFFAOYSA-N 440.257 4.492 5 20 IIBD COc1cc(CNC2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)c([N+](=O)[O-])cc1OC 1326126283 OHCCACLTDNAULV-SEJPIABJSA-N 425.529 4.287 5 20 IIBD Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2CC3(CCC3)C2)cc(Cl)cc1[N+](=O)[O-] 1803387583 FDLOSNVQMTXTDV-BCDXTJNWSA-N 445.947 4.389 5 20 IIBD CC[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2cc(F)ccc2[N+](=O)[O-])CC1 1804314873 BCWOFJUKVANMLZ-BOFTWBBESA-N 445.535 4.131 5 20 IIBD CC[C@H](C)CC(=O)N1CCC2(CCCN(C(=O)Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 1805481117 AWMRWGAUSFIWGE-KRWDZBQOSA-N 449.979 4.458 5 20 IIBD CC(C)/C=C/C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])n[nH]1 1823502670 FVRBANXEXFSFKP-LMRQXWQMSA-N 437.500 4.236 5 20 IIBD CCC[C@H]1CC[C@H](C(=O)N2CCCC23CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C3)CC1 1846077526 OZEXFVICNSVTDH-QAQDUYKDSA-N 431.508 4.157 5 20 IIBD Cc1noc(C)c1C(=O)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 3564128 DUPGRPCBGJLBDZ-SFHVURJKSA-N 429.816 4.390 5 20 IIBD O=C(c1cccc(C(F)(F)F)c1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 10274037 NGJCRSVWPGJGNU-UHFFFAOYSA-N 430.386 4.124 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ccc(OC(F)F)cc1 11515034 DTQMTLGGBNOTAX-UHFFFAOYSA-N 433.333 4.333 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cc([N+](=O)[O-])ccc1Cl 16013254 QLYHCZPGERCGAW-UHFFFAOYSA-N 440.681 4.030 5 20 IIBD C[C@H](OC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1C(F)(F)F 16925972 HDBXWVZURSVCCC-NSHDSACASA-N 437.374 4.372 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(Nc2cccc(F)c2)s1 22171106 MLJRVQHPUHVZAG-JTQLQIEISA-N 449.489 4.457 5 20 IIBD CCOc1cc2c(cc1OCC)CN(C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)CC2 24113238 XIGNMNLFGASGBH-HNNXBMFYSA-N 430.526 4.458 5 20 IIBD COCCOc1ccc(C(F)(F)F)cc1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 27172867 YFYBIRDFCSCBEL-LBPRGKRZSA-N 427.379 4.078 5 20 IIBD O=C(c1cccc2ccccc12)N1CCC[C@@H](C(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 57837365 NVTTZJOKYVODPX-LJQANCHMSA-N 429.476 4.190 5 20 IIBD CCCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCN(C(=O)c2ccccc2)CC1 110285686 UQINMVMGNOFVAU-UHFFFAOYSA-N 449.511 4.162 5 20 IIBD NC(=O)Nc1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 237904479 ALGDJRFWHADPOS-UHFFFAOYSA-N 442.479 4.228 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N(C)Cc3ccncc3)c([N+](=O)[O-])c2)c(C)c1 247878249 PVHIXPGRRNGWJR-UHFFFAOYSA-N 426.498 4.044 5 20 IIBD CS(=O)(=O)c1ccc(Nc2cccc(C[S@](=O)C3CCCCC3)c2)c([N+](=O)[O-])c1 301324912 YBSNFBCCZIJWLB-NDEPHWFRSA-N 436.555 4.323 5 20 IIBD CCOc1ccc(Br)cc1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 303227504 WRJWIZREPFCUIT-UHFFFAOYSA-N 449.305 4.110 5 20 IIBD CC(C)COc1ccc(C(C)(C)C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 303822291 XWYLDLMMMUYUAI-GOSISDBHSA-N 426.517 4.015 5 20 IIBD COc1cc(C(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OC(F)F 409565057 HJUDAUDARGHZLZ-IFXJQAMLSA-N 436.411 4.103 5 20 IIBD CSc1ccccc1[C@@H](C)NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 410268272 BATVPBNCJVQKFP-GFCCVEGCSA-N 429.527 4.087 5 20 IIBD COC(=O)CSCc1cccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 426108781 AOPKWFJMPSUAKX-UHFFFAOYSA-N 429.498 4.198 5 20 IIBD COC(=O)c1c(F)ccc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1C 426702777 IGSCSTDOBRJIMF-UHFFFAOYSA-N 440.377 4.446 5 20 IIBD C[C@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCN1Cc1ccccc1 431500347 QGXLCUGQCOYYPN-HNNXBMFYSA-N 432.318 4.094 5 20 IIBD C[C@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(OCc2ccccc2)c1 434761855 CKOYYSSOVGPIOX-KRWDZBQOSA-N 426.494 4.354 5 20 IIBD CCc1ccc(C(=O)Nc2cc(C)nn2[C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] 435290947 SULNGPVLPLDSCD-NRFANRHFSA-N 433.512 4.361 5 20 IIBD Cc1cc(C)c(NC(=O)CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c(C)c1 435828921 UTIZMWRQBKKMHG-UHFFFAOYSA-N 449.457 4.253 5 20 IIBD O=C(NCc1ccc(Cn2cccn2)cc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 435868725 GMYDTLWFLFOJNP-UHFFFAOYSA-N 444.441 4.134 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1cc(F)ccc1F)C1CCCC1 440026515 KOASOOZFPYOYFO-UHFFFAOYSA-N 447.438 4.182 5 20 IIBD O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 440625855 PFLIHUCBAUKGHB-UHFFFAOYSA-N 435.390 4.348 5 20 IIBD COc1cccc(-c2noc([C@@H](C)NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)n2)c1 444111981 KTGHSPWBDLPKLV-CQSZACIVSA-N 440.459 4.231 5 20 IIBD O=[N+]([O-])c1cc(-c2nc([C@H]3CN4CCCC[C@H]4CO3)no2)ccc1NCc1ccccc1 445820076 SUIPHZUXKDPOOB-GHTZIAJQSA-N 435.484 4.183 5 20 IIBD COc1cc(Cc2noc(-c3csc(-c4ccc(C)n4C)n3)n2)c([N+](=O)[O-])c(OC)c1 445823686 IDCFJHTVESHWQE-UHFFFAOYSA-N 441.469 4.023 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCC3CCN(C4CC4)CC3)cc2[N+](=O)[O-])n1 446456870 OVXVLBLZOJXYLD-UHFFFAOYSA-N 432.571 4.115 5 20 IIBD COc1cc(C(=O)Nc2sccc2C(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OC 448453321 XKYMSEJGBJKYHC-UHFFFAOYSA-N 426.450 4.465 5 20 IIBD O=C(NC[C@H]1CCCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1Br 461467456 PLXCNKHBIAYNPW-QGZVFWFLSA-N 446.345 4.389 5 20 IIBD C[C@@H](c1cc(F)ccc1F)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 461527805 XMBDKWHGXHXEPZ-GJZGRUSLSA-N 443.454 4.365 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc([C@@H]2CCCO2)n1C[C@H]1CCCCO1 461842675 XYBAFVZZYDRFTM-UXHICEINSA-N 429.521 4.022 5 20 IIBD Cc1cc(NCc2cccc(N3CCCS3(=O)=O)c2)c(C(F)(F)F)cc1[N+](=O)[O-] 461942484 UABWQRRUIABPRV-UHFFFAOYSA-N 429.420 4.074 5 20 IIBD Cc1nc2c(s1)[C@@H](N(C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])CCC2 462143808 XPZFYCCHFYRVHE-LBPRGKRZSA-N 436.342 4.365 5 20 IIBD CCOc1cc(NC(=O)c2ccn(-c3ccc(F)cc3F)n2)c([N+](=O)[O-])cc1OCC 463641070 OLLXOMZNMGMFSS-UHFFFAOYSA-N 432.383 4.108 5 20 IIBD O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 463759607 JWONUWAJZNMHFK-UHFFFAOYSA-N 428.779 4.460 5 20 IIBD CN1CCN(CCOc2ccc(NC(=O)c3cc4ccccc4c4cccnc34)cc2)CC1 464524932 NNGYLNURRSVQID-UHFFFAOYSA-N 440.547 4.267 5 20 IIBD CCOc1cc(C(=O)NC[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)c([N+](=O)[O-])cc1OC 464887444 QZFOUZNAYJFEIB-HTAPYJJXSA-N 428.485 4.208 5 20 IIBD C[C@H](NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C(c1ccccc1)c1ccccc1 465025347 HXORWGIRULNFNG-KRWDZBQOSA-N 432.476 4.245 5 20 IIBD COc1cc(CCNC(=O)N2C[C@@H](C)C[C@H]2c2cccc(F)c2)c([N+](=O)[O-])cc1OC 465619203 OXUQHWVVHIHLPZ-KSSFIOAISA-N 431.464 4.086 5 20 IIBD C[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1nc(-c2cccc(F)c2)no1 466459892 FYESGPOLLFLUFP-SECBINFHSA-N 437.334 4.268 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCCc2nc3ccc(F)cc3[nH]2)cc1[N+](=O)[O-])c1ccccn1 467475419 IYYLXFANHCHNJB-CQSZACIVSA-N 448.458 4.151 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 471870263 JPCGXIXDVCRMPG-GOSISDBHSA-N 438.292 4.365 5 20 IIBD COc1cc(C(=O)N2CC[C@@H]2Cc2ccccc2)c([N+](=O)[O-])cc1OCc1cscn1 472181182 QWPWIWADAXIFJU-QGZVFWFLSA-N 439.493 4.096 5 20 IIBD COc1cc(C(=O)Nc2cccc3ccn(C)c23)c([N+](=O)[O-])cc1OCc1cscn1 472855521 ULEPYZXTGAWWCX-UHFFFAOYSA-N 438.465 4.383 5 20 IIBD COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1cc(C)c([N+](=O)[O-])cc1C 473762718 HEEWSJVTJORFTF-CYBMUJFWSA-N 428.894 4.080 5 20 IIBD O=C(Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1)c1cc(-c2ccccn2)no1 474282938 LPDLJYQYJNNVRR-UHFFFAOYSA-N 442.391 4.343 5 20 IIBD C[C@H](C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1ccc([N+](=O)[O-])cc1F 475103036 WXTBGBHUMAVDPI-QFYYESIMSA-N 440.258 4.066 5 20 IIBD O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)c1cc(Br)ccc1Br 477688296 BWPHJDNOLNQJQI-UHFFFAOYSA-N 440.051 4.248 5 20 IIBD O=C(Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)nc1)c1ccccc1 477891874 OXKXJVDMWWIXDP-UHFFFAOYSA-N 428.351 4.096 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cccc(-n2cc(C(F)(F)F)cn2)c1 477913232 DCGJMVSXXOYQCK-UHFFFAOYSA-N 429.358 4.462 5 20 IIBD CC(=O)N[C@@H](C)C1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 478676224 CMYLZBATXIGCKO-AWEZNQCLSA-N 445.903 4.417 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@@H](CO)Cc2ccccc2)cc1 479470382 ZEKKCQFMIOXSMK-JOCHJYFZSA-N 428.492 4.141 5 20 IIBD COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1NC(C)=O 481829909 LMIDXFWBRUHJOZ-UHFFFAOYSA-N 434.452 4.426 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(CN3CCSCC3)cc2C)cc1SC 483608855 UTZHVOMKOBZTCG-UHFFFAOYSA-N 447.582 4.435 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 485490829 AAWJOKQASDZJOF-XLIONFOSSA-N 445.466 4.323 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCOc1cc(Br)cc(F)c1F 485493133 RWDFVSRFIHFMEY-UHFFFAOYSA-N 429.173 4.013 5 20 IIBD Cc1csc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)c1Cl 485614260 OUEPBXQCGKNTJW-UHFFFAOYSA-N 443.915 4.160 5 20 IIBD Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)c1 486109702 YNBCVHCISMIONW-INIZCTEOSA-N 449.511 4.143 5 20 IIBD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)c3cccc(SC)c3[N+](=O)[O-])ccc21 486238985 GIYGKMLMRLYOOJ-UHFFFAOYSA-N 440.525 4.392 5 20 IIBD CCc1ccccc1O[C@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 487068087 QOKRJOXIVVNHKJ-QHCPKHFHSA-N 434.496 4.338 5 20 IIBD Cc1ccc([C@H](C)NC(=O)NCc2cccc(NC(=O)c3ccccn3)c2)cc1[N+](=O)[O-] 489343891 WCCMOTMSLBGROB-INIZCTEOSA-N 433.468 4.111 5 20 IIBD Cc1ccc(N2CCC(NC(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)CC2)nc1 489597452 PIVZQRMLPUQBKP-UHFFFAOYSA-N 445.523 4.309 5 20 IIBD CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 489886734 UENCMNPNVOZWDM-KRWDZBQOSA-N 433.455 4.180 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)cc([N+](=O)[O-])c1 490162245 UYKYRZSRWAJYDV-UHFFFAOYSA-N 437.408 4.178 5 20 IIBD C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)Oc1ccccc1Br 498384173 SETOQKCZGSFMKL-LBPRGKRZSA-N 430.258 4.103 5 20 IIBD C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)C1 500347881 VEPHDXUVYMEZHV-NFHRIRBSSA-N 443.588 4.479 5 20 IIBD COc1ccc(CNC(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)cc1[N+](=O)[O-] 501680725 QVEOQLXEZPVTGM-UHFFFAOYSA-N 427.482 4.444 5 20 IIBD COc1ccc(CN(CC2CC2)C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])c(OC)c1 501689993 NMEGBYDQZINUSN-UHFFFAOYSA-N 446.525 4.395 5 20 IIBD O=C(Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1)c1ccc([N+](=O)[O-])cc1Cl 504722888 KXFSBNXCRYJQPE-UHFFFAOYSA-N 448.870 4.397 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 509719560 MWOMBCIDDSZCRQ-IBGZPJMESA-N 430.574 4.489 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(CCNC(C)=O)Cc1ccc(C)s1 512041580 PPZXOGIFOCLCIO-UHFFFAOYSA-N 435.571 4.245 5 20 IIBD O=C(Nc1ccc(Cl)c(F)c1N1CCOCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 512924829 UXKFMLAEXMACFL-UHFFFAOYSA-N 448.882 4.076 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 513383980 UILHZRYKYVWRAW-NSHDSACASA-N 430.873 4.129 5 20 IIBD O=C(NC1CCN(Cc2ccncc2)CC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 515829374 VBEXAAGFFCSGBV-UHFFFAOYSA-N 431.496 4.128 5 20 IIBD Cc1cc(-c2cc(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)c3c(C)noc3n2)c(C)o1 518319142 FPUQLVABMXHCQC-UHFFFAOYSA-N 436.424 4.125 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N(C[C@@H]2CCCO2)c2ccc(Br)cc2)c1 518652567 LWPIGKUIGBKEEX-INIZCTEOSA-N 435.274 4.192 5 20 IIBD Cc1ccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1NC(=O)c1ccncc1 520867760 NJRARCSONHNLNB-UHFFFAOYSA-N 433.468 4.381 5 20 IIBD CC(C)[C@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccccc1Cl 524513709 YNSQRTIBAALLFK-FQEVSTJZSA-N 431.876 4.450 5 20 IIBD O=C(N[C@H]1C[C@@H]1c1cccc(Br)c1)c1ccc(Br)cc1[N+](=O)[O-] 531188309 WERAIKYJRCUZBE-KGLIPLIRSA-N 440.091 4.406 5 20 IIBD COc1ccc(-c2ccc(CNc3cccc(N4CCCS4(=O)=O)c3)o2)c([N+](=O)[O-])c1 532890214 VLWHPUAJOGRLOU-UHFFFAOYSA-N 443.481 4.015 5 20 IIBD CC(C)Oc1ccc(Br)cc1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 532910634 FCLXHUQEYVBPIN-UHFFFAOYSA-N 437.246 4.168 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCO[C@H](c3cccc(OC(F)F)c3)C2)cc1[N+](=O)[O-] 533917206 GEAVDZDDYOODQS-LIRRHRJNSA-N 435.427 4.349 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 534950233 PSUFVAMPFBSOEI-QWHCGFSZSA-N 448.463 4.349 5 20 IIBD Cc1ccc(-c2ncco2)cc1NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 535464844 SNPYBZMKDIOJOF-HXUWFJFHSA-N 434.452 4.110 5 20 IIBD CCN(CC)C(=O)COc1ccc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cc1Cl 535696933 RMMOEXOUZUDJMP-UHFFFAOYSA-N 444.875 4.229 5 20 IIBD O=C(c1cc(I)cc([N+](=O)[O-])c1)N(c1ccccn1)C1CCCC1 535752855 GBULGLKBEHUKHV-UHFFFAOYSA-N 437.237 4.184 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1 537326350 VDPOENLKRBJEKH-TZIWHRDSSA-N 425.529 4.184 5 20 IIBD O=C(CN[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc21 540521849 WPTKHLZBSYFKHY-QGZVFWFLSA-N 447.335 4.396 5 20 IIBD O=C(NCCCc1nnc2n1CCCC2)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 541721253 XFCAOEDFDLEMJA-UHFFFAOYSA-N 443.573 4.168 5 20 IIBD COc1cc(Br)c(Cc2noc(-c3cc(F)cc([N+](=O)[O-])c3)n2)cc1OC 545537152 BDDPEPYCJCSNCA-UHFFFAOYSA-N 438.209 4.154 5 20 IIBD O=C(NCc1ccco1)c1cccc(-c2noc(CSc3ccc([N+](=O)[O-])cc3)n2)c1 546271057 IXNOKGSXFPEGBH-UHFFFAOYSA-N 436.449 4.460 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 546666079 ICNSIUYNNDVTHK-HXUWFJFHSA-N 433.464 4.493 5 20 IIBD CN(C)CCOc1cccc(-c2noc(-c3cc(Br)cc([N+](=O)[O-])c3)n2)c1 547100879 CDKZPXFDHWLBGY-UHFFFAOYSA-N 433.262 4.015 5 20 IIBD CC[C@H]1Oc2cc([C@H](C)NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)ccc2NC1=O 551275311 DBNXQWXNBRGZRK-MGPLVRAMSA-N 437.374 4.214 5 20 IIBD Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c(OC[C@H]2CCCO2)c1 551576920 BDTBCVCSEBKCJF-MRXNPFEDSA-N 438.402 4.410 5 20 IIBD CC1CCN(Cc2ccccc2CN[C@H](c2cccc([N+](=O)[O-])c2)c2nccn2C)CC1 552033868 WDXIEBBIHCNROA-XMMPIXPASA-N 433.556 4.439 5 20 IIBD CCOc1c(Cl)cc(CN[C@H](c2ccc([N+](=O)[O-])cc2)c2nccn2C)cc1OC 552240058 OVBBVPYPVAGEQH-LJQANCHMSA-N 430.892 4.268 5 20 IIBD O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CC[C@H](c2ccncc2)C1 552402054 NPJCOOQFTDTJEV-KRWDZBQOSA-N 448.445 4.241 5 20 IIBD COCCC[C@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccc(Cl)cc1 552579630 OCFYUCDRFAKZRY-QGZVFWFLSA-N 442.903 4.374 5 20 IIBD C[C@H](O)C[C@@H]1CCCCCN1C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 553047654 PGCFRWIDOSQSAN-LNLFQRSKSA-N 426.517 4.319 5 20 IIBD CN(C)CCN(Cc1cccc(C(F)(F)F)c1)c1ncnc2sc([N+](=O)[O-])cc12 553150118 VKCOHSLMAHJHMJ-UHFFFAOYSA-N 425.436 4.187 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)cc([N+](=O)[O-])c1 557984998 GZKLORIGWYGIAD-UHFFFAOYSA-N 439.443 4.412 5 20 IIBD Cc1ccccc1COc1cccc(NC(=O)C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c1 559035383 GMWMOBNBMFYBSC-UHFFFAOYSA-N 447.491 4.122 5 20 IIBD COc1cc(C(=O)Nc2cc3ccccn3n2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 561150365 OIYTYWCCBJUJGA-UHFFFAOYSA-N 438.827 4.949 5 20 IIBD C[C@H](Sc1nnc2ccc(Br)cn12)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 568773808 YOHAYHXGBDGLPE-VIFPVBQESA-N 447.274 4.303 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)NCCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2)cc1F 578050240 TWBRPNFLTVKBBP-CQSZACIVSA-N 427.436 4.080 5 20 IIBD O=[N+]([O-])c1ccc(SCc2nc(-c3cn4ccc(Br)cc4n3)no2)cc1 580804230 OOABAPXBWYHBIV-UHFFFAOYSA-N 432.259 4.347 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c1 582656547 DKBMNMHHRWKYLQ-GOSISDBHSA-N 444.431 4.060 5 20 IIBD O=C(NCc1cnc(-c2ccc(Cl)cc2)s1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 583278313 OVLZLCZPNOZHSJ-UHFFFAOYSA-N 439.884 4.487 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NC[C@@H](Nc3ccccc3)C(C)C)cc2)c(C)c1[N+](=O)[O-] 592046831 XYEPKVVGPYTOCD-JOCHJYFZSA-N 435.528 4.323 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2nc3c(s2)COCC3)cc1 609022523 PJJLUDMVEQTVJH-UHFFFAOYSA-N 427.438 4.177 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1 609057008 LHDLBXNALWUFAG-FQEVSTJZSA-N 441.553 4.066 5 20 IIBD CCOCCOc1ccc(Cl)cc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C 609107090 WXIZRVRAZTWWQD-UHFFFAOYSA-N 428.894 4.081 5 20 IIBD CC(=O)N(c1nc(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)cs1)c1ccc(C)cc1C 610166956 QVYUOHXOYAOUKS-UHFFFAOYSA-N 438.465 4.309 5 20 IIBD CCOc1ccc(CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(F)c(F)c2)nc1 610675622 QOBUWPRTAMGLDU-UHFFFAOYSA-N 449.435 4.062 5 20 IIBD O=C(O)COc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)c1 617724515 IIJNPDJQTMQCCW-UHFFFAOYSA-N 430.482 4.023 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(Cc1c(F)cccc1F)C1CCCC1 619482048 KZJIBRLCOJXWMK-UHFFFAOYSA-N 426.441 4.015 5 20 IIBD COc1ccc(CC(=O)O[C@@H](C)C(=O)N[C@H](C)c2cccc3ccccc23)cc1[N+](=O)[O-] 727888099 SNAFYTTVJKSIKK-CVEARBPZSA-N 436.464 4.108 5 20 IIBD O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 728166893 ORLRNJCLZTXRNE-UHFFFAOYSA-N 444.843 4.301 5 20 IIBD O=C(OCc1csc(-c2ccccc2F)n1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 728320026 XYGSXOXTDWXLCR-UHFFFAOYSA-N 443.456 4.051 5 20 IIBD Cc1cc(Cl)ccc1O[C@@H](C(=O)OCCn1c([N+](=O)[O-])cnc1C)c1ccccc1 730398222 GEPNMJFTDBEPBV-HXUWFJFHSA-N 429.860 4.425 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1cnn(-c2ncccc2Cl)c1C(F)F 730742979 XGGMZKUPXUEDCV-UHFFFAOYSA-N 429.717 4.297 5 20 IIBD Cc1c(C(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 730757516 OJHZCYNAZHEBNG-AWEZNQCLSA-N 433.392 4.069 5 20 IIBD COc1ccccc1[C@@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 731036658 DRPKHDNWTYBEES-FQEVSTJZSA-N 432.885 4.325 5 20 IIBD O=[N+]([O-])c1ccc([C@@H](O)CNCc2cn(Cc3ccccc3)nc2-c2ccccc2)cc1 731678780 PMSXEMQUEAWUHG-DEOSSOPVSA-N 428.492 4.330 5 20 IIBD CCN(C(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cccc2ccccc12 731709233 DMMDOOSFZNEJIH-AWEZNQCLSA-N 437.408 4.255 5 20 IIBD Cc1ccc(-c2nc(CCNc3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])co2)cc1 732029239 ZYTQRYVTIZAKIH-UHFFFAOYSA-N 437.424 4.209 5 20 IIBD COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 734811920 PEZLPLMZFIMEEJ-AUUYWEPGSA-N 429.473 4.047 5 20 IIBD CCOC(=O)N1CCCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 735368816 RVGZILVUPMHZJI-UHFFFAOYSA-N 428.445 4.083 5 20 IIBD C[C@H](Cc1ccc(Cl)cc1)N(C)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 736642605 VKKJIIAGYOOJNL-LLVKDONJSA-N 447.738 4.262 5 20 IIBD C[C@@H]1Sc2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3Br)cc2NC1=O 739579536 ICGYVPIDUPRGGH-VIFPVBQESA-N 437.271 4.147 5 20 IIBD CC(=O)Nc1ccc(OC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c(F)c1 742836424 WUYZSTSQUAJPFB-OKILXGFUSA-N 429.448 4.394 5 20 IIBD CCOC(=O)/C=C\c1ccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 743095586 BEOUCLFGDXYLAB-XGICHPGQSA-N 439.468 4.246 5 20 IIBD Cc1ccc(-n2cnn(CN3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)c2=S)c(C)c1 743390553 MYPDHLWMXGAJNH-UHFFFAOYSA-N 439.541 4.429 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3csc(CC(C)C)n3)CC2)ccc1[N+](=O)[O-] 744204967 VYYJBPJAGCUXRB-UHFFFAOYSA-N 433.530 4.474 5 20 IIBD CO[C@H](CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C 744698629 UWWHJARDVCCPAL-GOSISDBHSA-N 433.892 4.291 5 20 IIBD C[C@@H](OC(=O)[C@@H]1CCCCN1Cc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 745103910 IPJHVVKMLSXIML-QRWLVFNGSA-N 445.903 4.173 5 20 IIBD CCc1ccccc1N1C(=O)/C(=C/c2ccc(Br)c([N+](=O)[O-])c2)NC1=S 747990041 FAUORCOOEWOFTP-ZROIWOOFSA-N 432.299 4.182 5 20 IIBD CCCC[C@@H](OC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)Nc1cc(C)on1 750968464 SWROGIPMQUIUBN-CQSZACIVSA-N 440.250 4.008 5 20 IIBD C[C@H](OC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1F 751633128 CSOPBMWYLPNJEF-VIFPVBQESA-N 430.816 4.189 5 20 IIBD COc1ccc(Sc2nsc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)cc1 753243755 WVRHKIBACXNXTB-UHFFFAOYSA-N 447.454 4.075 5 20 IIBD O=C(N[C@@H](c1ccccc1)c1nccs1)c1cc(F)cc([N+](=O)[O-])c1Br 754998202 PHQLVQSUZFGSGJ-HNNXBMFYSA-N 436.262 4.472 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)O[C@@H](C)CCn2cccn2)cc1[N+](=O)[O-] 755828687 VKYXMLNJVROOIU-HNNXBMFYSA-N 439.493 4.380 5 20 IIBD COCCN(Cc1cc(Br)cs1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 756771998 JMMHCZHIQPWBOS-DAXSKMNVSA-N 425.304 4.107 5 20 IIBD CC[C@@H]1CN(c2cc(Cl)c(C(=O)OC)cc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C 756955340 LDXJUYMCRBCUOF-DOMZBBRYSA-N 441.912 4.164 5 20 IIBD CCCS(=O)(=O)Nc1cccc(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c1C 757223045 UDISXGPKUMSYNI-UHFFFAOYSA-N 440.909 4.030 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cncc(-c3ccc(C)cc3)c2)c([N+](=O)[O-])c1 758090752 VARYXZVYYLNJOF-OAHLLOKOSA-N 435.436 4.158 5 20 IIBD COc1ccc2cc(CN(C)C(=O)[C@@H](C)OC(=O)c3ccc(F)cc3[N+](=O)[O-])ccc2c1 758119528 YQIJYMKUQBIFFW-CQSZACIVSA-N 440.427 4.100 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)c1F 760345614 VIKWIJFETUPCCO-UHFFFAOYSA-N 449.504 4.248 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 760630993 CBEAOSFVFPWFBO-GOSISDBHSA-N 438.292 4.365 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@@H](C)C[C@@H](O)c3ccco3)cc2[N+](=O)[O-])n1 761685470 ZEKHUNSBKKMQJL-XHDPSFHLSA-N 433.511 4.346 5 20 IIBD O=C(N[C@@H]1CC[C@@H]2SCCS[C@H]21)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 763178666 BEIJLIJESNYYQK-HOJAQTOUSA-N 429.567 4.316 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 763583644 VTHRKPNYYGJABN-LJQANCHMSA-N 431.533 4.071 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)N[C@@H](C)c1ccccc1OC 763815522 UYIARPNBAUAJCM-UONOGXRCSA-N 432.498 4.138 5 20 IIBD O=C(Oc1ccc(OCc2ccccc2)cc1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 766327357 DLQAZYIJLPZWKK-UHFFFAOYSA-N 446.415 4.046 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)[C@H](C)c2ccc(Br)cc2)cccc1[N+](=O)[O-] 766996739 MUQCCVMBCVEACM-YPMHNXCESA-N 435.274 4.340 5 20 IIBD CCN([C@H](c1cccnc1)c1ccc(F)c(F)c1)S(=O)(=O)c1csc([N+](=O)[O-])c1 768854149 QWWRSTMZCPSNHU-SFHVURJKSA-N 439.465 4.130 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 769705522 LSKNFNXQGCWQLI-IBGZPJMESA-N 429.521 4.083 5 20 IIBD Cc1nn(Cc2ccc(-c3nc(-c4ccc([N+](=O)[O-])s4)no3)cc2)c(C)c1[N+](=O)[O-] 771217984 XAKKCZMVXZLHNX-UHFFFAOYSA-N 426.414 4.143 5 20 IIBD CCc1ccc([C@H](C)NC(=O)COC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 773603033 KTRYDJATENNSSQ-JTQLQIEISA-N 441.303 4.015 5 20 IIBD Cc1nc2ccccc2n1CC(=O)O[C@H](c1ccc(Br)cc1)C(C)(C)[N+](=O)[O-] 774366712 DBZDKYNSKLTOFV-LJQANCHMSA-N 446.301 4.447 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H](c1ccc(Br)cc1)C(C)(C)[N+](=O)[O-] 774373173 KXNAXNNFRPDCEO-SMDDNHRTSA-N 445.310 4.002 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OCc2cnc(C(C)(C)C)s2)ccc1[N+](=O)[O-] 774537135 XYJCWWMPAMAUTJ-QGZVFWFLSA-N 431.514 4.005 5 20 IIBD CC(C)c1ccc(-c2nc(CS(=O)(=O)C[C@@H](O)c3ccc([N+](=O)[O-])cc3)cs2)cc1 776260577 KMTYXBCRCNUDLZ-HXUWFJFHSA-N 446.550 4.490 5 20 IIBD O=[N+]([O-])c1cc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)ccc1Cl 777596707 ZWQNXHYNPYCLRI-LLVKDONJSA-N 447.296 4.118 5 20 IIBD O=C(NCc1ccc(F)cc1)c1nnc(/C(Cl)=C/c2ccc([N+](=O)[O-])cc2F)s1 777916366 YREFUDNAXDLNNF-AUWJEWJLSA-N 436.827 4.391 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCC[C@@](C)(O)c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 778014891 ZUEQFESPCATSRQ-BXKMTCNYSA-N 434.496 4.191 5 20 IIBD CN(CC1(c2ccccc2)CC1)C(=O)c1ccc(I)c([N+](=O)[O-])c1 782696057 MOOFOIZWDPGXAL-UHFFFAOYSA-N 436.249 4.003 5 20 IIBD COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 786368397 SCLOAOQDMRXWGL-INIZCTEOSA-N 427.682 4.470 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2nnc(-c3cc4ccccc4o3)s2)ccc1Cl 786888047 RCUUMBIWILJJQB-UHFFFAOYSA-N 436.858 4.314 5 20 IIBD COc1ccc(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(OCC2CC2)c1 788210561 UECDVNXJHQIBQC-GFCCVEGCSA-N 448.859 4.230 5 20 IIBD CC(=O)OCCCSc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] 788581335 UYQFPCLZGIGWBX-UHFFFAOYSA-N 438.527 4.058 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)c1F 790114956 ANVCBWASPBHKPX-UHFFFAOYSA-N 437.383 4.276 5 20 IIBD C[C@H](OC(=O)c1cc(Cl)cc(F)c1N)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 791476915 HEDLNDGQUSJPCX-ZETCQYMHSA-N 449.744 4.172 5 20 IIBD C[C@H](Nc1ccc(C(=O)Oc2ccc(-c3ncnn3C)cc2)cc1[N+](=O)[O-])c1ccccn1 792132735 OPRGQYHRDOQJHX-HNNXBMFYSA-N 444.451 4.178 5 20 IIBD O=C(NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2cccc3cccnc23)cc1 796736487 NDTNFLOBWVHVMW-UHFFFAOYSA-N 447.472 4.070 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(C(=O)Nc2cccc(C)c2)C1 798542520 XRDKNJNBCVBNIQ-MRXNPFEDSA-N 426.473 4.185 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC(c2cccc(Br)c2)CC1 798793712 JOIFBWJIRHLUPX-UHFFFAOYSA-N 437.265 4.281 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCCC4(CCN(C)CC4)C3)cc2[N+](=O)[O-])C1 799030038 WNIOHVSAHSFMON-OALUTQOASA-N 428.577 4.025 5 20 IIBD Cc1nc(C)c([C@@H](C)N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(Br)cc2C)s1 799769821 CUTLAIPYTYLBHF-SNVBAGLBSA-N 448.364 4.121 5 20 IIBD Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)OCc1ccc(Cl)cc1[N+](=O)[O-] 803761307 KMQBUAQXOGHQIC-UHFFFAOYSA-N 439.859 4.132 5 20 IIBD C[C@@H](Cc1cncc2ccccc12)C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 805681757 IYPQKIGOFFCJOR-ZDUSSCGKSA-N 427.844 4.157 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 809913417 JGOUHXNPIVTQSL-LBPRGKRZSA-N 426.901 4.405 5 20 IIBD C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810351797 ZCFOESYXLCXGDZ-NSHDSACASA-N 446.257 4.262 5 20 IIBD Cc1cc(Cl)c(C(=O)OCc2nnc(-c3ccc(Br)o3)o2)cc1[N+](=O)[O-] 815406619 ONTJWTPLVDCAKE-UHFFFAOYSA-N 442.609 4.319 5 20 IIBD CC(C)(C)OC(=O)NCCN1C(=O)c2ccccc2N[C@H]1c1cc(Cl)ccc1[N+](=O)[O-] 877854343 CANGLIAZMMLFLC-GOSISDBHSA-N 446.891 4.339 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)O[C@@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)c1 915440282 VCXFNTNINZMCJH-CVEARBPZSA-N 440.452 4.227 5 20 IIBD C[C@@H](OC(=O)CCOc1cccc(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 915441269 AKIWVBFAVWBNRQ-LLVKDONJSA-N 427.240 4.241 5 20 IIBD O=C(COC(=O)c1cc2c(F)cccc2[nH]1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 915470115 GMSGDJVSEILYDF-UHFFFAOYSA-N 425.294 4.030 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3ccc(=O)n(Cc4ccccc4)c3)cc2[N+](=O)[O-])CC1 916465469 QFIXGYWBKBYUCU-UHFFFAOYSA-N 446.507 4.293 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC[C@H]2c2ccc(Cl)cc2)c(S(=O)(=O)N2CCCC2)c1 917053546 CRTBKKQOIDALGE-SFHVURJKSA-N 435.933 4.374 5 20 IIBD Cc1ccc(C(=O)N(C)C)cc1OC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 917054256 HNSQIGSYXNDMRF-UHFFFAOYSA-N 433.464 4.436 5 20 IIBD O=C(OCc1nnc(-c2ccc(Br)o2)o1)c1cc2cc([N+](=O)[O-])ccc2o1 917264154 HJQCUKQQGOTCKB-UHFFFAOYSA-N 434.158 4.104 5 20 IIBD O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(Cn2c(=S)oc3ccc([N+](=O)[O-])cc32)C1 917476325 DLNVCIMFRZDDMP-GFCCVEGCSA-N 447.904 4.229 5 20 IIBD O=C(Cc1ccc2c(c1)OCO2)Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1 918552612 QXBZEJPXQXGILU-UHFFFAOYSA-N 445.383 4.245 5 20 IIBD Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)OCc3cc(F)ccc3[N+](=O)[O-])c12 918938573 XUYGDPFXRIKOIW-UHFFFAOYSA-N 426.429 4.410 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H](c2cccc3ccccc23)C(F)(F)F)cc1 1356535730 VWAOWTNQVIGSGB-IBGZPJMESA-N 438.427 4.415 5 20 IIBD Cc1ccccc1NCC(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1 1788109066 RHMNDRSFEUXCLM-UHFFFAOYSA-N 448.479 4.356 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3nc[nH]c3[N+](=O)[O-])cc2)CCC1)c1cccc(Cl)c1 1788612073 CZALYYKNQARYKP-UHFFFAOYSA-N 439.859 4.033 5 20 IIBD CC(C)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cccc([N+](=O)[O-])c2)n[nH]1 1815538475 KOUYXEJPLIYRTJ-FQEVSTJZSA-N 441.532 4.379 5 20 IIBD C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 5972782 UMCZYKVTWRXUBU-CALCHBBNSA-N 425.485 4.153 5 20 IIBD CC(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 9622775 FKZGCVMYLMXBBV-UHFFFAOYSA-N 431.495 4.153 5 20 IIBD Cc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(F)c(F)c3)c2)cc1[N+](=O)[O-] 15410144 MJJLSBZRGFEICR-UHFFFAOYSA-N 447.419 4.235 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)CSc2ccc3ccccc3c2)c([N+](=O)[O-])c1 15799627 FHVMULXEWBYQQU-CQSZACIVSA-N 440.477 4.419 5 20 IIBD C[C@@H](OC(=O)[C@@H]1COc2ccc(Cl)cc2C1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 16796786 BKTVQQPADWGYAY-PWSUYJOCSA-N 439.251 4.023 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3Cl)n2C)c([N+](=O)[O-])c1 16972935 MFHAZNNIEQWXET-LLVKDONJSA-N 447.904 4.172 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)cc1OC 18969282 PJYLMLCJNMPSQQ-UHFFFAOYSA-N 427.409 4.082 5 20 IIBD CCc1ccc(-c2csc(NC(=O)COC(=O)c3cc([N+](=O)[O-])ccc3OC)n2)cc1 19284659 POJNKPDSBVRNLA-UHFFFAOYSA-N 441.465 4.085 5 20 IIBD CCOc1cc(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)c([N+](=O)[O-])cc1OC 19472862 SSSLRLPTWJYYJB-UHFFFAOYSA-N 443.239 4.104 5 20 IIBD COC(=O)c1ccc(COC(=O)c2cc([N+](=O)[O-])ccc2Sc2nc(C)cs2)o1 28873919 RKHBHISKUBYMQB-UHFFFAOYSA-N 434.451 4.248 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCCN(CC2CCCCC2)CC1 108576422 HBOUJHVVLRZWDP-UHFFFAOYSA-N 428.577 4.313 5 20 IIBD CN(C(=O)COc1c(Br)cccc1Br)c1ccc([N+](=O)[O-])cc1 109263605 UWTMQCKORUJUNQ-UHFFFAOYSA-N 444.079 4.162 5 20 IIBD Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2ccc([N+](=O)[O-])c(F)c2)cs1 110895885 QOEZPXZRJNTDAY-UHFFFAOYSA-N 429.429 4.037 5 20 IIBD CN(Cc1cccc(Br)c1OC[C@@H]1CCCO1)c1ncc([N+](=O)[O-])s1 409673008 VZPQFYBLMMJJPS-LBPRGKRZSA-N 428.308 4.008 5 20 IIBD O=C(NC[C@H]1CCCN(Cc2cccs2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 426297043 WGEUOPQGGZGJAP-GOSISDBHSA-N 428.558 4.243 5 20 IIBD COC[C@H](C)n1ccc(NC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)n1 426328213 BJKUGVJXKLGCEB-HNNXBMFYSA-N 426.498 4.711 5 20 IIBD CN(C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 426966529 YSKMUBQDOQOBPD-LJQANCHMSA-N 431.855 4.015 5 20 IIBD CCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 427357905 FCZCXDHABZNMRL-UHFFFAOYSA-N 440.481 4.071 5 20 IIBD CC(=O)N(c1ccc(C)c(C)c1)c1nc(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)cs1 428639481 JRYPZHTXYMYRES-UHFFFAOYSA-N 438.465 4.309 5 20 IIBD COc1ccc(CN(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1OC(F)F 431763829 XNZBKGWHYOYBOS-UHFFFAOYSA-N 445.216 4.240 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C)c1cccc(O)c1 436432814 SOWOJLAKGKZFHY-AWEZNQCLSA-N 443.481 4.283 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN(CCc3ccccn3)Cc3ccc(F)cc3)o2)cc1 439962390 KJIWKSRNHFRVJE-UHFFFAOYSA-N 433.443 4.424 5 20 IIBD CN(C)c1cc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c2ccccc2n1 440619945 CWNRTKMVZSFTLP-UHFFFAOYSA-N 436.515 4.085 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c([N+](=O)[O-])c1 443638083 HUWUYQWFOCXRRM-KBPBESRZSA-N 442.447 4.090 5 20 IIBD Cn1cc(-c2cccc(CNC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)c2)cn1 444292347 UZHWLJXOBDFKQI-UHFFFAOYSA-N 426.451 4.151 5 20 IIBD O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1sc(Br)cc1[N+](=O)[O-] 445247936 IRSACXKTHMQYLG-UHFFFAOYSA-N 446.710 4.161 5 20 IIBD CC(C)(C)NS(=O)(=O)c1cc(-c2nc(-c3ccc([N+](=O)[O-])s3)no2)ccc1Cl 445476948 KJVJYGWFMHCURP-UHFFFAOYSA-N 442.906 4.104 5 20 IIBD COc1cc([C@@H](C)NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)ccc1OCC(C)C 445488982 IUMHOGBHXZGKLC-MRXNPFEDSA-N 427.501 4.467 5 20 IIBD C[C@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCN1Cc1ccccc1 445942156 ATGKMARWKHNOOK-MAUKXSAKSA-N 446.345 4.069 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1C[C@@H]1c1c(F)cccc1Cl 446039721 QITGLRRTPCGUJS-XHDPSFHLSA-N 427.657 4.365 5 20 IIBD O=C(NC1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1)c1ccsc1 462478512 ILVQGQAJQLDXQL-UHFFFAOYSA-N 438.509 4.029 5 20 IIBD CCc1cc(=NC(=O)[C@H](C)Oc2ccc(CCC(C)=O)cc2)c2cc([N+](=O)[O-])ccc2[nH]1 462603185 HTONPZRWINHIDY-INIZCTEOSA-N 435.480 4.055 5 20 IIBD O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 463758116 ABRXIWKUFYDSMM-UHFFFAOYSA-N 431.374 4.461 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C1CCN(c2nc3ccccc3s2)CC1 466297688 KYSCMIAAPSJCKO-UHFFFAOYSA-N 430.917 4.391 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1 470119876 CFYWWELEQGOZKX-UHFFFAOYSA-N 439.447 4.175 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(C)nc1-n1cc(Cl)cn1 470332959 MEKCZSILCRCPSK-MRXNPFEDSA-N 427.892 4.022 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1nnc(-c2ccc(Cl)cc2F)s1 471316592 JMFMLGZQYKZTPA-UHFFFAOYSA-N 447.839 4.104 5 20 IIBD CCOC(=O)[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cccc(C)c1C 472106420 QRNNZUAKSDWJDJ-QGZVFWFLSA-N 435.274 4.008 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccc(Oc2ccccc2)c(F)c1 472569546 YZNJWOQEHMWPPL-ZDUSSCGKSA-N 441.390 4.481 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCN(Cc2ccccn2)CC1 475018705 SKGOALUASGOKFR-UHFFFAOYSA-N 433.468 4.132 5 20 IIBD O=C(c1ccc(Cl)cc1)c1ccc(OCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 478133289 PMOZTJGTZKENEG-UHFFFAOYSA-N 436.851 4.447 5 20 IIBD CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)c1c([N+](=O)[O-])cnn1C 478580579 DVNLBIVBYSSVIS-UHFFFAOYSA-N 435.695 4.220 5 20 IIBD COc1cc(CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C2CC2)ccc1OC(F)F 479622263 WGBSFIAJTDUJPS-UHFFFAOYSA-N 438.452 4.488 5 20 IIBD CC[C@@H](c1ccccc1)c1nnc(NS(=O)(=O)c2c([N+](=O)[O-])ccc(C)c2C)s1 479985856 MHQUASLXUXCPTG-HNNXBMFYSA-N 432.527 4.406 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCCCCC2)nc1 480410849 YHLKHGSLEHIFJF-UHFFFAOYSA-N 444.557 4.039 5 20 IIBD COCCC[C@H](Cc1ccccc1)Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl 480557002 SKFINSJSYWGNFQ-QGZVFWFLSA-N 442.903 4.244 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 481371507 BSNUYPNLSCVPSY-UHFFFAOYSA-N 429.432 4.260 5 20 IIBD CN(Cc1ccccc1)[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CC1 482493361 YVFJWTLQKQPFOA-AREMUKBSSA-N 439.559 4.182 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)cc1SC 483433617 BVZIMXRENKWCCZ-UHFFFAOYSA-N 429.498 4.204 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@@H]4[C@H](CCCN4Cc4ccccc4)C3)o2)cc1 483476022 QWJIXDOWCZRGHH-IFMALSPDSA-N 433.512 4.131 5 20 IIBD CCc1ccccc1NC(=O)CN(C)C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 486352138 JJGUYPMTIPDYTK-UHFFFAOYSA-N 447.491 4.447 5 20 IIBD CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 487031166 GANMMWAVRPUDLX-UHFFFAOYSA-N 447.923 4.297 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]1Cn1cnc2ccccc21 488353506 YBWGOMSBWRZPSP-QGZVFWFLSA-N 427.892 4.015 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)s2)o1 488837744 ZEOHDYCUWWTLLC-QMMMGPOBSA-N 440.890 4.488 5 20 IIBD O=C(Nc1nc(-c2ccccc2OC(F)F)cs1)c1cc2c(c([N+](=O)[O-])c1)OCO2 489076895 YCJABMJMIBOFAA-UHFFFAOYSA-N 435.364 4.301 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1ccc(Oc2cccc(F)c2F)nc1 489190144 MBNHAFLDRCRTNJ-UHFFFAOYSA-N 440.366 4.258 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(c2ccc(F)cc2C)C1 489228984 YPXLFYFXLLKFKU-KRWDZBQOSA-N 447.532 4.180 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC(Cc2ccccc2CO)CC1 490386932 VMEFRQQKCBJFAV-UHFFFAOYSA-N 447.329 4.253 5 20 IIBD Cc1ccc(S(=O)(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)O[C@H](C)C2)c([N+](=O)[O-])c1 490443899 KXXXGNAYKZOHKS-CXAGYDPISA-N 444.431 4.073 5 20 IIBD C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1cc(Cl)ccc1Cl 494014492 DDFYASIQRIXFQN-QMTHXVAHSA-N 442.324 4.445 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 494540635 CXDAJRPZDACGFA-CQSZACIVSA-N 442.859 4.102 5 20 IIBD CCC(C)(C)[C@@H]1CCc2nc(NC(=O)C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)sc2C1 498112058 PWUIRJXRDJQOBQ-UKRRQHHQSA-N 444.557 4.408 5 20 IIBD Cc1cc(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)ccc1S(C)(=O)=O 500297818 FKZGLTDLOWAULU-GASCZTMLSA-N 445.541 4.041 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCOC[C@H]1c1nc2ccccc2s1 500596630 IGNZSQYAOKPEPH-HNNXBMFYSA-N 437.399 4.437 5 20 IIBD CC(C)N(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1nnc(-c2ccccc2Cl)o1 502756137 POXVJXQWHDNEFV-UHFFFAOYSA-N 429.864 4.147 5 20 IIBD CCSc1ccc([C@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 504729375 JSUWPLRPHDQJNX-KKSFZXQISA-N 441.553 4.497 5 20 IIBD O=C(c1ccccc1OC(F)F)N1CCC[C@@H](c2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 505043804 HUMTYJLPWQRLQT-CQSZACIVSA-N 444.394 4.266 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)CS3)cc1[N+](=O)[O-])c1ccccn1 506046464 XRZJIQYZEDVKEN-ZDUSSCGKSA-N 449.492 4.459 5 20 IIBD O=C(NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)c1cc(O)cc([N+](=O)[O-])c1 506192857 QERZDONMLIWFDZ-UHFFFAOYSA-N 428.448 4.142 5 20 IIBD O=C(CCSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCOc2ccccc21 507098244 OKUMSYLPKOHOJD-UHFFFAOYSA-N 425.466 4.299 5 20 IIBD COc1cc(C(=O)N[C@H](C)c2ccc(F)c(Br)c2)c([N+](=O)[O-])cc1OC 507719621 BPZHTUOUMKXZKU-SECBINFHSA-N 427.226 4.005 5 20 IIBD Cc1c(Br)cc(C(=O)N(C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] 510061214 OLHDDXMAPQRYDW-KRWDZBQOSA-N 446.345 4.260 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](C)CC[C@H]1c1ccccc1OC 510185063 LYFZKZXICJMKCC-JXFKEZNVSA-N 427.501 4.414 5 20 IIBD CSc1ccc(C(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cc1[N+](=O)[O-] 511847639 RGRMVSNFPULLTK-INIZCTEOSA-N 439.459 4.340 5 20 IIBD C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 512538568 IWLGRDBHHAVHEU-IYBDPMFKSA-N 427.526 4.444 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N[C@H]3CCC[C@@H](C(=O)N(C)C)C3)cc2[N+](=O)[O-])cc1 513360152 YVORIDPHJAVUPQ-MSOLQXFVSA-N 441.553 4.431 5 20 IIBD C[C@@H](Nc1ccc(NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)cc1)c1ccccc1 513576615 LVOXJJJJWNCYAJ-OAHLLOKOSA-N 439.493 4.424 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(NC(=O)CC(F)(F)F)cc2)c1 513583570 ZLRIMJVUGOTHOF-UHFFFAOYSA-N 425.363 4.202 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)c1 513795223 DDOYIWOGHYHYEN-QFIPXVFZSA-N 425.529 4.089 5 20 IIBD COC(=O)COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c(C)c1 515727797 NUYWVIXJKQCASC-UHFFFAOYSA-N 449.463 4.319 5 20 IIBD COc1ccc(-c2ccc(CNCc3cc(OC)c(OC)cc3OC)o2)c([N+](=O)[O-])c1 517549311 GRKZMSPEBGUAOD-UHFFFAOYSA-N 428.441 4.179 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC1(Cc2ccc(F)cc2Cl)CCOCC1 517613285 VLFXOIOHFAMQEA-UHFFFAOYSA-N 441.286 4.491 5 20 IIBD COc1ccc(N(C)C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc1OC 519121419 APJYBTIHLIKDBD-HOTGVXAUSA-N 427.501 4.371 5 20 IIBD C[C@H]1CC[C@@H](C)N1[C@H]1CCCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 520421086 BUVBAAOWLWNDMY-UXLLHSPISA-N 442.482 4.279 5 20 IIBD CCC(=O)Nc1cccc(-c2noc([C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)c1 520654034 DDWYJIVYNFGICI-LJQANCHMSA-N 449.467 4.279 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNCCCN3CCN(c4ccncc4)CC3)s2)cc1 520957571 JQNZNQOXWNVVCV-UHFFFAOYSA-N 437.569 4.020 5 20 IIBD CCOC(=O)c1sc(-c2ccc(F)cc2)cc1NC(=O)CCn1cc([N+](=O)[O-])nc1C 521928526 NANHSGRDGVBUQX-UHFFFAOYSA-N 446.460 4.173 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](Cc1ccc(C)cc1)c1ccccn1 522380209 ZOEFYBLGPBVRPP-UWJYYQICSA-N 434.496 4.207 5 20 IIBD O=C(NCc1ccc2c(c1)CCO2)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 523405827 FVFQMRXQNVONCJ-UHFFFAOYSA-N 449.429 4.081 5 20 IIBD CC(C)COc1ccc(C2(C(=O)N3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)CCC2)cc1 524574819 ZZFUDXOEFZCSIE-IBGZPJMESA-N 438.528 4.159 5 20 IIBD O=C(NCc1ccc(OC2CCCCC2)nc1)c1ccc(Br)cc1[N+](=O)[O-] 531423753 NVZPCCOFZYKDTH-UHFFFAOYSA-N 434.290 4.394 5 20 IIBD O=C(O)C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 532259812 DCUNICMEZWDHQD-ZDUSSCGKSA-N 432.738 4.093 5 20 IIBD O=C(Nc1ccc(F)cc1O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 532266600 NOPYLXDLZBUNNM-UHFFFAOYSA-N 427.354 4.313 5 20 IIBD COc1cccc(OC)c1Oc1ccc(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cn1 536508716 VAHNMZFJGHNHEY-UHFFFAOYSA-N 448.435 4.211 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCc2ccc(-c3csc(C)n3)cc2)c1 537297762 VVBKWGOVGNUVPS-UHFFFAOYSA-N 425.510 4.463 5 20 IIBD COc1ccc(-c2ccc(CNC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)cc2)cc1 537354952 PEFRSAAGCYSAIZ-UHFFFAOYSA-N 447.491 4.037 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H]2CCO[C@H](C(C)C)C2)cc1[N+](=O)[O-] 537922558 MUNWUCYNHGRALJ-JXFKEZNVSA-N 442.537 4.481 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 537924853 SYJKQNYWPLFUIZ-FQEVSTJZSA-N 446.463 4.046 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 538870715 VIUSHRLMSRMGIA-UHFFFAOYSA-N 449.507 4.385 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](CC(F)(F)F)c1ccc(F)cc1 540380989 ZPBBNDPTDHAUGN-MRXNPFEDSA-N 429.370 4.354 5 20 IIBD CCc1cccc2c(C3CCN(C(=O)CNC(=O)c4ccc([N+](=O)[O-])c(C)c4)CC3)c[nH]c12 541091562 YVWKOFBYMGZLSO-UHFFFAOYSA-N 448.523 4.083 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCC[C@@H]2CCO[C@H](C)C2)c([N+](=O)[O-])c1 541352407 XGBXYMMDQPJDKL-HZPDHXFCSA-N 426.469 4.230 5 20 IIBD CCOc1ccccc1NC(=O)[C@H](NCc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 542213044 VUDRFXJBFHURIJ-HSZRJFAPSA-N 435.480 4.472 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@](C)(c2ccc(F)cc2)C(F)(F)F)cc1OC 543797651 QIVVBTJUWPTPAL-GOSISDBHSA-N 430.354 4.349 5 20 IIBD C[C@@H](C(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1F 544446225 FHUQVXDANQYPDF-OAHLLOKOSA-N 442.468 4.450 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](c3nc(CCC4CCCCC4)no3)C2)cc1 547046065 NMIRMIWQMYTTQZ-KRWDZBQOSA-N 448.545 4.059 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CC[C@H](N4CCCCC4)C3)n2CCc2ccccc2)c1 549546298 ZLIHBZNKMDEXCB-QHCPKHFHSA-N 446.555 4.161 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])c1nnc(CCCc2ccccc2)n1C[C@@H]1CCOC1 549587115 LVSKGJKUECGSAQ-FQEVSTJZSA-N 435.528 4.035 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(-c2ccc(F)cc2Cl)n1 553106857 ZWSMCMRWKLXCLY-OAHLLOKOSA-N 446.870 4.320 5 20 IIBD O=[N+]([O-])c1cc2c(NC[C@@H]3CCN(c4cccc(Br)c4)C3)ncnc2s1 553333223 JRDRBHGVNVHYME-NSHDSACASA-N 434.319 4.300 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(c3nnc(C4CC4)n3Cc3cccs3)CC2)cc1 555438211 ICAHLFAYNVHKRM-UHFFFAOYSA-N 425.514 4.221 5 20 IIBD C[C@@H](C(=O)Nc1cc(Br)cnc1OCC(F)(F)F)c1cccc([N+](=O)[O-])c1 555737620 XWDFAIJUFIRQHY-SECBINFHSA-N 448.195 4.436 5 20 IIBD Cn1ccnc1[C@H](N[C@@H]1CCCN(c2ccccc2Cl)C1)c1cccc([N+](=O)[O-])c1 556868145 PIDGUFBDLGURKP-DYESRHJHSA-N 425.920 4.330 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)cc1 557643715 LESABAYYHDGNEA-AEFFLSMTSA-N 425.485 4.095 5 20 IIBD CC(C)N(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H](C(=O)O)c1ccc(Br)cc1 562407459 YVBMEVMDTLTWOH-INIZCTEOSA-N 436.262 4.426 5 20 IIBD CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2CC)C1 572084186 XKIAZQGENDNZOV-HNNXBMFYSA-N 444.454 4.202 5 20 IIBD COc1ccc(CC(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)cc1[N+](=O)[O-] 573187986 SKLIEJWVASRWOD-HDJSIYSDSA-N 437.265 4.110 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 577250984 PUGWBJWTGMDATF-OAHLLOKOSA-N 438.509 4.112 5 20 IIBD CC1(C)CN(CC2CN(C(=O)COc3cccc([N+](=O)[O-])c3)C2)c2cc(C3CC3)ccc21 579376745 ATQUZYUASWXQAL-UHFFFAOYSA-N 435.524 4.107 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc(NC(=O)NC2CC2)cc1 579498644 DSBLUMSNRRKKGV-NSHDSACASA-N 436.390 4.389 5 20 IIBD Cc1cccn(Cc2c(F)cccc2NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1=O 580742045 WFAJOBZBRIXCSF-HNNXBMFYSA-N 441.484 4.372 5 20 IIBD CN1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)c2ccc(Br)cc21 589026469 KDILSOWAHKQRFM-UHFFFAOYSA-N 427.258 4.002 5 20 IIBD COc1ccccc1NC(=O)c1ccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])cc1 589937218 BMOLGJYSNUIWAN-UHFFFAOYSA-N 435.436 4.263 5 20 IIBD CC[C@H](C)NS(=O)(=O)Cc1cccc(NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 600857168 KJDRJZFQZPZZTP-ZDUSSCGKSA-N 445.463 4.444 5 20 IIBD COc1cc([C@H](C)Nc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])ccc1OCCO 603871733 JZXBCSZMTVKDLU-INIZCTEOSA-N 436.464 4.379 5 20 IIBD Cc1ccc(Cc2sc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)nc2C)cc1 603974298 KPNGMNKPVDCQOE-UHFFFAOYSA-N 425.466 4.282 5 20 IIBD COc1ccc(CNC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)cc1[N+](=O)[O-] 604016704 NTWVRYLTHHGLFK-UHFFFAOYSA-N 431.901 4.163 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 608818017 SBOBEQDHBWRZSI-OAHLLOKOSA-N 442.859 4.083 5 20 IIBD Cc1noc(C)c1[C@@H](C)NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 609605013 WHAHRNJIFDGYQJ-OAHLLOKOSA-N 445.479 4.472 5 20 IIBD C[C@H](NC(=O)N1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1)c1cccc([N+](=O)[O-])c1 609640269 IQBOOWVPDZLHJV-JKSUJKDBSA-N 443.479 4.038 5 20 IIBD O=C(Nc1ccccc1Cc1ccccc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 610140917 ZOBMPNVANJAADZ-UHFFFAOYSA-N 444.491 4.176 5 20 IIBD COc1cccc([C@H](NC(=O)CCn2cc([N+](=O)[O-])nc2C)c2ccccc2Cl)c1 610180940 JBFICUKOACTENG-NRFANRHFSA-N 428.876 4.058 5 20 IIBD CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 610919371 DSFJJQAVBPAIAS-GOSISDBHSA-N 442.516 4.031 5 20 IIBD COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 611333075 KIUCYRLRKRRABS-MRXNPFEDSA-N 426.469 4.439 5 20 IIBD COc1cc(CNC2CCN(c3cccs3)CC2)c([N+](=O)[O-])cc1OCC(F)F 611520723 IEFFQJAJCUOCLW-UHFFFAOYSA-N 427.473 4.067 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccccc1-c1nc(C(C)(C)C)no1 726844141 NIEBSTPMUALQOX-UHFFFAOYSA-N 438.440 4.046 5 20 IIBD COc1ccc(NC(=O)[C@H](OC(=O)c2cc(C)cc([N+](=O)[O-])c2N)c2ccccc2)cc1 727901050 PTNTWIVTNWUJSQ-OAQYLSRUSA-N 435.436 4.031 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)O[C@@H]2CCc3ccc(Cl)cc32)cc1[N+](=O)[O-] 727964429 XWLDBOATKDSAOQ-MRXNPFEDSA-N 430.873 4.372 5 20 IIBD CC(C)(C)Oc1ccccc1NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 734416059 NIYDFFQBWHYERH-UHFFFAOYSA-N 429.292 4.335 5 20 IIBD C[C@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc2cc(Br)cnc2[nH]1 735218817 UEBLUOWREMEGNJ-ZETCQYMHSA-N 425.626 4.200 5 20 IIBD C[C@H](OC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)C(=O)c1ccc(Br)cc1 735353313 FJTMEHRXIHKSPN-JTQLQIEISA-N 445.225 4.039 5 20 IIBD COc1ccccc1-n1c(C)nnc1SCC(=O)Oc1cc([N+](=O)[O-])c(Cl)cc1C 735643960 TXJKOTDSFSAWNX-UHFFFAOYSA-N 448.888 4.152 5 20 IIBD CN1C(=O)CC[C@H](COC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@H]1c1cccc(Cl)c1 740602757 KRHXEJASKLTALB-SPLOXXLWSA-N 441.871 4.496 5 20 IIBD O=C(NC[C@@H](O)c1c(F)cccc1Cl)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 741299080 PSLJCEGWANQTFK-HXUWFJFHSA-N 443.862 4.463 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)cc1F 742282622 BGVRKTCWBGZYQK-UHFFFAOYSA-N 444.156 4.283 5 20 IIBD CCOc1cc(N2CCC(OC(=O)CCc3cc(F)ccc3F)CC2)ccc1[N+](=O)[O-] 744204016 MOAXWPDJTXKPMH-UHFFFAOYSA-N 434.439 4.417 5 20 IIBD Cc1nn(CCc2nc(-c3cccc(NC(=O)OC(C)(C)C)c3)no2)c(C)c1[N+](=O)[O-] 747866425 AXDABWJEXLVIIQ-UHFFFAOYSA-N 428.449 4.048 5 20 IIBD COc1cccc(-n2c(SC[C@@H](O)c3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)c1 749641169 SERHQKXJSKJZBW-OAQYLSRUSA-N 449.488 4.128 5 20 IIBD Cc1c(Cl)cc(NC(=O)c2c3c(cc([N+](=O)[O-])c2[N+](=O)[O-])OCCO3)cc1Cl 751246901 AUWLGXHFPFUQKQ-UHFFFAOYSA-N 428.184 4.142 5 20 IIBD C[C@@H](OC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)Cc1cccc(F)c1 751637080 WMYUUTPNIHFGRE-GFCCVEGCSA-N 440.880 4.070 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC[C@@H]1Cn1cnc2ccccc21 756477735 RGAHJMBZCZIEEO-CQSZACIVSA-N 444.289 4.404 5 20 IIBD CCCC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 758736909 CGBPBSZTPVBFSG-CQSZACIVSA-N 437.452 4.172 5 20 IIBD COCCN(C(=O)c1nc(Cl)ccc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 759757546 MHSLBDPKGSOPDU-UHFFFAOYSA-N 436.852 4.199 5 20 IIBD COc1ccc(C[C@@H](C)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1 759989485 FVEHCIOQFVQUDG-LLVKDONJSA-N 425.254 4.114 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cnc(Cl)c(Br)c1C 760048875 FLFNTVDSDYBKDB-UHFFFAOYSA-N 429.658 4.044 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1cnc([C@H]2CCCO2)s1 760350833 ALDRJGUGIRGPDA-OAHLLOKOSA-N 443.485 4.004 5 20 IIBD O=[N+]([O-])c1cccc(CCc2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)c1 762261244 KZROKWFMWSMCKK-UHFFFAOYSA-N 433.218 4.025 5 20 IIBD C[C@@H](OC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C(=O)OC(C)(C)C 762781338 LZLGLIGOUBUUEH-GFCCVEGCSA-N 446.422 4.103 5 20 IIBD COC(=O)Nc1cc(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc(C(F)(F)F)c1 763511606 OUDFDEAVTKFOJI-UHFFFAOYSA-N 431.754 4.375 5 20 IIBD COc1cc(COC(=O)Cc2sc(N)nc2-c2ccc(C)c(C)c2)c([N+](=O)[O-])cc1F 766170077 OTNQTMRIKGTKTE-UHFFFAOYSA-N 445.472 4.351 5 20 IIBD Cc1nc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)sc1Cc1cccc(Cl)c1 768850796 UUPJHGFTBYACCI-UHFFFAOYSA-N 429.932 4.466 5 20 IIBD O=C(OC[C@@H]1CCO[C@H]1c1ccccc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 769337472 DXNJCWWBZRZRIT-KSSFIOAISA-N 425.359 4.471 5 20 IIBD CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 771378443 ARKTXGIPUGSEMX-JDNHERCYSA-N 429.217 4.142 5 20 IIBD C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[C@H]1NC(=O)OC(C)(C)C 771768049 ZKTOFGYSWGDZRJ-BXUZGUMPSA-N 446.426 4.381 5 20 IIBD COc1cc(/C=C(\C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)c2ccccc2)ccc1O 772316687 AJOQKKKILCFZDQ-UNOMPAQXSA-N 434.448 4.175 5 20 IIBD Cn1c(CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)nc2cccc(Cl)c21 775692187 GNCHOWOCQZODKO-UHFFFAOYSA-N 438.669 4.219 5 20 IIBD CSc1cccc(C(=O)OCC(=O)N[C@H](c2ccccc2)c2cccs2)c1[N+](=O)[O-] 777075834 ZQKPDOCBUFWYRX-LJQANCHMSA-N 442.518 4.441 5 20 IIBD CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1Cl 778091219 DEMQNNGMNMKFPL-JLTOFOAXSA-N 430.888 4.291 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)C[C@@](C)(O)c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 778348599 YMAZGQCNXVPAFR-ILBGXUMGSA-N 448.475 4.424 5 20 IIBD CCOCCOc1ccc(Br)cc1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 779033037 IRPGOEAAWJOMCX-YHYXMXQVSA-N 435.274 4.425 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 779103801 QWLJYQKTNAISEH-HNNXBMFYSA-N 438.280 4.134 5 20 IIBD CC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 781258783 DJABLHLZSFKCSH-CQSZACIVSA-N 428.444 4.068 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2ccc3cc[nH]c3n2)c2ccccc2)c([N+](=O)[O-])c1 782371689 HSTVWPPEWPYHFK-HXUWFJFHSA-N 430.420 4.316 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2nc3c(s2)CN(C(C)C)CC3)CC1 784141602 CFRUIPIZGXAGKK-UHFFFAOYSA-N 443.573 4.306 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)NCC(C)(C)c2ccccc2C)cc1[N+](=O)[O-] 784700975 XKHUCQQAOWFVJZ-UHFFFAOYSA-N 448.317 4.007 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)[C@H]2COc3ccccc32)c2ccccc2)c([N+](=O)[O-])c1 785772361 AHMRBTUCTBKIKA-PGRDOPGGSA-N 432.432 4.302 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NC(=O)c1cc([N+](=O)[O-])ccc1N 787302258 HOSRWXXBXFPSJR-LJQANCHMSA-N 426.473 4.331 5 20 IIBD Cc1ccc(-n2ncc(NS(=O)(=O)c3cc([N+](=O)[O-])c(F)cc3C)c2C(C)C)cc1 790417743 NBUZFVIHTZHYRT-UHFFFAOYSA-N 432.477 4.461 5 20 IIBD O=C(CSCC(=O)OCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 794446235 UZVMITPEUBLCGA-UHFFFAOYSA-N 428.388 4.029 5 20 IIBD O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@@H]1c1ccc(Cl)cc1 795864443 DJLBKHDABKWRMV-CYBMUJFWSA-N 449.685 4.286 5 20 IIBD CSc1ccccc1CN(C)S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] 795961694 CCKUBRUCQKWTKS-UHFFFAOYSA-N 449.323 4.039 5 20 IIBD C[C@@H](OC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C(=O)N(C)Cc1c(F)cccc1Cl 796445714 QGPJBGJGCOSVLW-CYBMUJFWSA-N 436.867 4.255 5 20 IIBD C[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1Br)[C@H]1OCCc2sccc21 796488824 YOXXDKKFZYJDEP-MGPLVRAMSA-N 426.288 4.412 5 20 IIBD Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NCc3ccc([N+](=O)[O-])c(Cl)c3)cc21 800542595 NQZGMKJEJMPBGD-UHFFFAOYSA-N 429.908 4.041 5 20 IIBD COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1Cl 800930439 MBEXPGDJPVBMGJ-UHFFFAOYSA-N 435.285 4.118 5 20 IIBD Cn1[nH]cc2c(=NC(=O)c3cc([N+](=O)[O-])ccc3Sc3ccc(Cl)cc3)ccnc1-2 801701646 DIOXTQWHKVJHLF-UHFFFAOYSA-N 439.884 4.307 5 20 IIBD C[C@H](OC(=O)COc1cccc([N+](=O)[O-])c1)c1ccc(S[C@@H]2CCCCNC2=O)cc1 809046331 DAYNFGBZIFTFKC-MGPUTAFESA-N 444.509 4.039 5 20 IIBD O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCC(Oc3ccccc3Cl)CC2)cc1Cl 809828899 SNTCJNUMJKIUEX-UHFFFAOYSA-N 449.287 4.273 5 20 IIBD COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1Cl 811831489 BUBGMESLBHQLDZ-UHFFFAOYSA-N 435.285 4.118 5 20 IIBD CC(C)(CCc1noc([C@H]2CCCCN2C(=O)/C=C\c2ccc(Cl)cc2)n1)[N+](=O)[O-] 812812936 YXZODZSOVZXBBS-SDMNGIDPSA-N 432.908 4.478 5 20 IIBD Cc1cc2n(n1)[C@@H](C(F)(F)F)CCN2C(=O)c1ccc(Br)c([N+](=O)[O-])c1 813374181 WKBAVVUXNAHYHN-GFCCVEGCSA-N 433.184 4.016 5 20 IIBD O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCC[C@@H](c2nnc3n2CCCCC3)C1 813401463 AWKYIZXUSWEDOE-GFCCVEGCSA-N 438.315 4.239 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C(=O)Nc1ccc(Cl)cc1Cl 814482196 OIMOMWBWPOVAKX-VIFPVBQESA-N 444.246 4.291 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 815789047 UHJXOCJZAKKIQL-CHWSQXEVSA-N 445.438 4.379 5 20 IIBD C[C@@H](NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)c1ccc(C(F)(F)F)nc1Cl 817875100 LLNUQBKGCDMZSB-OTYXRUKQSA-N 442.781 4.032 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[C@H](Oc2ccc(Cl)cc2)C1 818931625 DFMFPDDVDKUEBP-ZDUSSCGKSA-N 443.656 4.443 5 20 IIBD Cc1sc2nc([C@H](C)OC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)nc(O)c2c1C 849194452 NKGFHGUMXSDMLC-NSHDSACASA-N 439.453 4.026 5 20 IIBD C[C@@H](OC(=O)COc1ccccc1C(F)(F)F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 914981386 SXZRDOGCMMLZNH-SNVBAGLBSA-N 446.765 4.216 5 20 IIBD C[C@H](OC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 917257874 JRJLASGIIVLRJU-WFGGJUAMSA-N 446.422 4.022 5 20 IIBD Cc1cccc2sc(C(=O)NS(=O)(=O)c3cc(F)cc([N+](=O)[O-])c3)c(Cl)c12 917448795 NNAGIHUTWVVWEB-UHFFFAOYSA-N 428.850 4.029 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CCC[C@H]1c1ccc(F)cc1 917651372 GILSNJFOKOFDCI-AWEZNQCLSA-N 429.267 4.022 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2ccc(OCC(F)(F)F)cc2s1 918602842 NJXTXWKWRXNCTR-UHFFFAOYSA-N 440.403 4.464 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc3cc([N+](=O)[O-])ccc3[nH]2)c(Br)c1 919516628 UBEYLCVRKMMBRZ-NSHDSACASA-N 446.257 4.331 5 20 IIBD O=C(Nc1ccc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1)c1ccc(Cl)cc1 919960199 UECMRHHXAGPTNI-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 920147750 JJMWYKALUHKLRM-AWEZNQCLSA-N 448.903 4.286 5 20 IIBD C[C@H](OC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)c1cccc([N+](=O)[O-])c1 920158478 ODHMRRWVDXZIGH-GXTWGEPZSA-N 433.258 4.015 5 20 IIBD C[C@@H](Nc1ccc(C(=O)OCC(=O)N(C)C2CCCCC2)cc1[N+](=O)[O-])c1ccccn1 920549927 ZDIQQSUTUROWGM-MRXNPFEDSA-N 440.500 4.111 5 20 IIBD O=C(Nc1ccc(Cl)cc1)N1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 1116029177 ZUTUZQMCTZHHMD-UHFFFAOYSA-N 444.900 4.453 5 20 IIBD CC(C)O[C@@H](C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])o3)cc2)CCC1 1786207531 VSBZJJIHLCFKLF-SOGBHIHOSA-N 441.484 4.149 5 20 IIBD Cc1cnoc1C(=O)Nc1ccc(C2(NC(=O)c3cccc(F)c3[N+](=O)[O-])CCC2)cc1 1789979329 YELMBIVUYFIPGB-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD COc1cscc1C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1 1790185892 JHUVZQSOKFRCMD-UHFFFAOYSA-N 440.481 4.055 5 20 IIBD C[C@@H]1C[C@]1(C)C(=O)Nc1ccc(C2(NC(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)CCC2)cc1 1790423899 CSLBZTKADHAFEI-FATZIPQQSA-N 447.495 4.265 5 20 IIBD Cc1ccccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)cc([N+](=O)[O-])c1C 1800711663 PLPVPBICKDPOBE-BCDXTJNWSA-N 441.915 4.431 5 20 IIBD O=C(c1ccccc1Cl)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823614347 XUHMMVPRXPCBKL-SFHVURJKSA-N 445.903 4.388 5 20 IIBD CC1(C)CCC(CC(=O)N2CCCC23CN(C(=O)Cc2cc(F)ccc2[N+](=O)[O-])C3)CC1 1845259241 VLJXPTUTMOOFDH-UHFFFAOYSA-N 445.535 4.086 5 20 IIBD CCn1c(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1 9072285 PNYPXBPFOQRVKT-UHFFFAOYSA-N 435.868 4.397 5 20 IIBD CCOC(=O)c1cc(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1 10857276 DTSCUECFKFMLIJ-UHFFFAOYSA-N 426.208 4.118 5 20 IIBD O=C1c2ccccc2N[C@H](c2ccc(Br)c([N+](=O)[O-])c2)N1CC(F)(F)F 15250849 GJBLFNFGLJHPNR-AWEZNQCLSA-N 430.180 4.486 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1nc(-c2cc3ccccc3o2)cs1 25735563 IRYBOICMNRXTOQ-UHFFFAOYSA-N 436.449 4.223 5 20 IIBD CCn1c(SCCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccccc1OC 26371299 KTIMKRAWBGYYJO-UHFFFAOYSA-N 427.486 4.003 5 20 IIBD COC(=O)[C@@H](C)NC(=O)c1ccc(N[C@H](C)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 29070398 NLGFJYGDTIZARB-VXGBXAGGSA-N 439.390 4.078 5 20 IIBD COc1ccc([C@@H](C)NC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1F 29676499 OBYWYEPNGDWTSY-LLVKDONJSA-N 444.385 4.234 5 20 IIBD C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 71849649 WXQJWIMMGUVWPM-HNNXBMFYSA-N 437.525 4.315 5 20 IIBD Cc1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(-c2ccc(C(F)(F)F)cn2)n1 72090604 ZQSACDZJBFRJCU-UHFFFAOYSA-N 425.754 4.408 5 20 IIBD C[C@@H](OC(=O)/C=C/c1nc2ccccc2s1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 106864747 CSYPZSPMOWFXJM-ANYFNZRUSA-N 431.857 4.442 5 20 IIBD O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCN(c2ccc(Cl)cn2)CC1 109253127 LWJDPTSMAWZKSV-UHFFFAOYSA-N 437.887 4.349 5 20 IIBD Cn1c([C@@H]2CCCCN2C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)nc2ccccc21 117493266 JQPBVYOYJAHSPJ-NRFANRHFSA-N 430.468 4.035 5 20 IIBD O=C1/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)NC(=S)N1Cc1ccccc1Cl 208922496 AJODMWBHQISOJR-XDHOZWIPSA-N 438.896 4.297 5 20 IIBD CS(=O)(=O)c1cccc([C@H](NCc2cccc([N+](=O)[O-])c2)c2ccc(F)c(F)c2)c1 237474957 ISVYACGEFXBJRU-NRFANRHFSA-N 432.448 4.156 5 20 IIBD C[C@@H](C(=O)Nc1ccc(Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)cc1)n1cncn1 301877692 NWHKMVZNPCFKOC-HNNXBMFYSA-N 429.440 4.192 5 20 IIBD CCC[C@H](NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 303199586 YYJURUXPHCVARN-ACJLOTCBSA-N 437.418 4.390 5 20 IIBD CCC(CC)(CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N[C@@H](C)c1ccccc1 303439245 FGRUBCDQKJKNDD-SFHVURJKSA-N 435.528 4.420 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F)c1ccccc1[N+](=O)[O-] 303543874 UMWBOANBIAERIP-AOIWGVFYSA-N 432.423 4.176 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)c1ccccc1[N+](=O)[O-] 303543883 UMWBOANBIAERIP-SCTDSRPQSA-N 432.423 4.176 5 20 IIBD COc1cc(C(=O)Nc2ccccc2NC(=O)C[C@H]2C=CCC2)c([N+](=O)[O-])cc1OC 409976070 ANTBIOQECRTJLM-AWEZNQCLSA-N 425.441 4.159 5 20 IIBD Cc1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1Oc1ccncc1 427581151 VDLAIJXDFWTJCL-INIZCTEOSA-N 434.452 4.215 5 20 IIBD C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1CCC(=O)Nc1ccccc1[N+](=O)[O-] 428796004 ZQSFLANSMGQSHA-IFXJQAMLSA-N 437.418 4.404 5 20 IIBD CSc1cccc(NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1C 430335881 BSDFIBHEBAJFEP-UHFFFAOYSA-N 438.303 4.273 5 20 IIBD COc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)c1[N+](=O)[O-] 435853682 DGLVSDUCCNRVLS-UHFFFAOYSA-N 426.816 4.156 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(Cl)cc(Br)c2F)c(C)c([N+](=O)[O-])c1 435967400 NXUCSRSKXDLURP-UHFFFAOYSA-N 445.628 4.497 5 20 IIBD CCc1cc(Br)ccc1NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 437051011 LACIBKUYASPUEC-UHFFFAOYSA-N 446.301 4.049 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(CO[C@H]2CCC[C@@H](C)C2)c1 438721374 KSVDQAGQGJFOKI-BEFAXECRSA-N 441.484 4.276 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccccc1OC)C[C@@H]1CCCO1 439881537 WFIKUEPRDJGMBA-SFHVURJKSA-N 429.473 4.215 5 20 IIBD COc1ccc(NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2C)cc1[N+](=O)[O-] 440590257 XJFMMNHVQVLQQN-UHFFFAOYSA-N 435.436 4.068 5 20 IIBD CCCOc1c(Cl)cc(C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1OCC 444636685 ONLDWCQGDOHNAW-UHFFFAOYSA-N 432.864 4.242 5 20 IIBD Cc1cc(C)c(NC(=O)Cc2noc(-c3cc(O)nc4ccc([N+](=O)[O-])cc34)n2)c(C)c1 445339415 FIYNEPSKRPBRPI-UHFFFAOYSA-N 433.424 4.005 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N1CCC[C@H](COc2ccccc2Cl)C1 446904820 CKBMSDIAPAEOTK-AWEZNQCLSA-N 443.891 4.125 5 20 IIBD CCCc1c(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cnn1-c1cccc(C)c1 446981858 UTNDPUPKRPIXRM-UHFFFAOYSA-N 430.468 4.479 5 20 IIBD O=C(c1cc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)cc([N+](=O)[O-])c1)N1CCC[C@@H]2CCC[C@@H]21 461013298 FXQQSFREDFOZRQ-FHQLIMNDSA-N 425.529 4.404 5 20 IIBD COc1ccccc1[C@@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 461582833 JYEQNMQEUVLQDY-UTKZUKDTSA-N 449.511 4.240 5 20 IIBD COc1ccc(N([C@H](C)C2CC2)S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 464421851 OIMHKEGMEQJXMI-CQSZACIVSA-N 427.482 4.145 5 20 IIBD Cc1cc(C(F)(F)F)ncc1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 464655037 CQXSAGUPCVWLOM-UHFFFAOYSA-N 433.390 4.431 5 20 IIBD CC[C@@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1nc(C(F)(F)F)cs1 465267966 UOTAKSVKNIBOIN-CYBMUJFWSA-N 439.419 4.352 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1cncc(-c2ccccc2)c1)c1ccccc1[N+](=O)[O-] 466424934 KEWFGCMPZPUREA-OAQYLSRUSA-N 433.464 4.470 5 20 IIBD CC[C@H]1CN(C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CCCO1 466759992 CUBNBINVFUNEQK-INIZCTEOSA-N 428.510 4.189 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 467100135 JZTSYSCLTIPFDW-UHFFFAOYSA-N 437.905 4.286 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 471457406 HMLAQEXCUZCXFC-BLLLJJGKSA-N 427.657 4.365 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC[C@H]3[C@H]3CCCCC3=O)cc2[N+](=O)[O-])C1 471913355 VFGVFYRGIUOGLT-BWPNAZKDSA-N 427.545 4.441 5 20 IIBD Cc1ccc(-c2noc([C@H](C)NC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1F 472538565 IKEFYYWAVGDJFG-RYUDHWBXSA-N 448.838 4.390 5 20 IIBD COc1cc(CNC(C)(C)c2nc3ccccc3n2C)c([N+](=O)[O-])cc1OCC(F)F 473159665 CXIHEBOQCBJPGO-UHFFFAOYSA-N 434.443 4.159 5 20 IIBD O=C(NCCc1cccc(OCC(F)(F)F)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 475551435 WTZCDISDPLNFDG-UHFFFAOYSA-N 437.418 4.453 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 475557509 CFDQKTKYQBYNLT-UHFFFAOYSA-N 442.785 4.248 5 20 IIBD O=C(N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)c1ccc([N+](=O)[O-])cc1Cl 476100446 DRZJBJVSJPNMBY-HNNXBMFYSA-N 442.686 4.480 5 20 IIBD C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 477040330 AXFIWZWFGBRKOV-VIFPVBQESA-N 428.253 4.487 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cc(Br)ccc2Br)c1 479723619 NASFXWMGVMKACK-UHFFFAOYSA-N 428.080 4.358 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)NCc2cccc([N+](=O)[O-])c2C)cc1 481461826 BPKNERLAZLEQGD-UHFFFAOYSA-N 445.522 4.004 5 20 IIBD CCOc1ccc(-c2nc(COc3ccc([N+](=O)[O-])c(C(=O)OC)c3)cs2)cc1OC 481923673 OCWMQTLHQQZYCJ-UHFFFAOYSA-N 444.465 4.491 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1nc(-c2cccc3ccccc23)cs1 483064005 YCLRCEMJOOCZNQ-UHFFFAOYSA-N 446.444 4.418 5 20 IIBD CCO[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)[C@@H]1Oc1ccccc1 483960847 UQBWTXPNQSLGRX-SBHAEUEKSA-N 430.526 4.450 5 20 IIBD O=C(NCC1CC1)[C@H]1CCCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 487218068 IGINGPNDJFPVNV-SFHVURJKSA-N 439.537 4.124 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccn(-c2ccccc2Cl)n1 489199994 ZEEHBNGHKPAVHR-UHFFFAOYSA-N 432.889 4.425 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1[N+](=O)[O-] 489272108 TVNVVIHNVRYCKT-GJZGRUSLSA-N 425.489 4.309 5 20 IIBD CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 489398769 GHLXHXKBNFLHCQ-KGLIPLIRSA-N 443.504 4.370 5 20 IIBD CC(C)(C)OC(=O)c1ccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c(F)c1 490932394 HQFSXRGALSARLJ-UHFFFAOYSA-N 426.404 4.127 5 20 IIBD Cc1c([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)cnn1C 491446516 WGLOYAVSICBLRX-CYBMUJFWSA-N 427.892 4.393 5 20 IIBD COc1ccc([C@H](NC(=O)c2c([N+](=O)[O-])c(C)nn2C)c2ccc(C(F)(F)F)cc2)cc1 492162099 UNWAZDLLAICXJD-QGZVFWFLSA-N 448.401 4.184 5 20 IIBD O=C(N[C@@H]1CCc2ccc(-c3ccccc3)cc21)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 494488476 AMXHUVROQJRNLF-OAQYLSRUSA-N 425.448 4.260 5 20 IIBD COCCCn1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)n1 495520913 JHOZFWWIAJZMPX-UHFFFAOYSA-N 443.891 4.346 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(CN3CCC[C@H](C)C3)cc2)c([N+](=O)[O-])cc1OC 500788784 VBOHCXKGFQKCJE-INIZCTEOSA-N 427.501 4.486 5 20 IIBD CC[C@H](CSc1ccc(C)c(C)c1)NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 502257448 SIMTWVYPGIACES-MRXNPFEDSA-N 447.582 4.090 5 20 IIBD O=C(CN[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc21 505828545 ZRZPBEYXZLIJDT-KRWDZBQOSA-N 447.335 4.396 5 20 IIBD COc1cc(C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)ccc1[N+](=O)[O-] 508803248 OGHXNUCIMIZFFU-UHFFFAOYSA-N 441.875 4.494 5 20 IIBD C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(-n2cccn2)c(F)c1 508835593 UCEBQCNJSLDZLT-INIZCTEOSA-N 437.475 4.013 5 20 IIBD COc1cc(CN2CCC(c3c[nH]c4ncccc34)CC2)c([N+](=O)[O-])cc1OC(F)F 509557017 DGHGTZMVISEVDX-UHFFFAOYSA-N 432.427 4.461 5 20 IIBD Cc1ccccc1[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1I 509738535 QNGRZUHVOMTLCV-KRWDZBQOSA-N 436.249 4.485 5 20 IIBD COc1ccc(CNc2cccc3c2oc(=O)n3C)cc1OCc1ccc([N+](=O)[O-])cc1 513523621 BLXCVUVVNZDKPE-UHFFFAOYSA-N 435.436 4.239 5 20 IIBD CCOc1cc(NC(=O)C(=O)N(C)[C@H](C)c2ccccc2Cl)c([N+](=O)[O-])cc1OCC 516019357 MHVBXDBNSRXQFF-CYBMUJFWSA-N 449.891 4.204 5 20 IIBD O=C(NC(Cc1ccccc1)Cc1ccccc1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 517715987 APGUFQUGZWPXHO-UHFFFAOYSA-N 427.460 4.432 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccc(NC(=O)c2ccco2)cc1 519086353 LADSDKDEUDHVDT-ZDUSSCGKSA-N 443.843 4.177 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCCCOc2cccc3cccnc23)cc1SC 520237077 PRBKLFPPEJTQRK-UHFFFAOYSA-N 427.482 4.072 5 20 IIBD C[C@H](Oc1ccccc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 523783630 NPVWBILSWGBHSD-SFHVURJKSA-N 447.495 4.484 5 20 IIBD O=C(CSc1cccs1)Nc1ccc(C(=O)NCc2cccc([N+](=O)[O-])c2)cc1 524214551 SLVSQVYJVXMGMO-UHFFFAOYSA-N 427.507 4.317 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCc2ncc(C)s2)cc1[N+](=O)[O-] 525165028 ZDSYGWWWDRODDO-UHFFFAOYSA-N 427.507 4.243 5 20 IIBD Cc1ccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1NC(=O)c1ccncc1 534610901 RQZOQGIQACSPFP-UHFFFAOYSA-N 429.436 4.213 5 20 IIBD O=C(Nc1ccc2c(c1)OCO2)C1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 535593687 YRIKSBWMJQGUMU-UHFFFAOYSA-N 446.463 4.241 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC2(c3cccc(Cl)c3)CCOCC2)c1 539519723 NLDAIYUTRFQNPV-UHFFFAOYSA-N 432.904 4.190 5 20 IIBD C[C@@H](c1ccccc1)N1CC[C@H](Nc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)C1 540284482 GEEUBDPERFVCIF-RDJZCZTQSA-N 439.903 4.042 5 20 IIBD COc1cc(N(C)C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc(OC)c1OC 541264560 NVMAOKCZTUBUQD-UHFFFAOYSA-N 426.878 4.029 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c1Br 541576548 MZANDZCLZMWLJJ-CQSZACIVSA-N 430.661 4.431 5 20 IIBD C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1nc(Cc2ccccc2)no1 544096717 NCERRRQWWCIJBH-GFCCVEGCSA-N 432.889 4.192 5 20 IIBD Nc1ccc(-c2noc(CSc3nnc(C4CC4)n3Cc3ccccc3)n2)cc1[N+](=O)[O-] 544932810 SBTRVSQRCZHUHF-UHFFFAOYSA-N 449.496 4.037 5 20 IIBD Cc1csc(Sc2ccc(-c3nc(-c4ccc(C(N)=O)cc4)no3)cc2[N+](=O)[O-])n1 547003583 BHCRSHBDRZTTGW-UHFFFAOYSA-N 439.478 4.327 5 20 IIBD CC[C@@H]1CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@H](C)[S@]1=O 553065361 JCPSHWVALIFZAA-PAMZUUQGSA-N 436.917 4.412 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(F)c(Cl)cc1N1CCOCC1 554799649 QLDRMUHDOIRUON-GFCCVEGCSA-N 439.896 4.343 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N(Cc1ccc(-n2cncn2)cc1)C1CC1 554976623 YPBMYTYGBCXAPX-UHFFFAOYSA-N 446.492 4.104 5 20 IIBD COc1ccc(OCCNC2(c3cccc(C(F)(F)F)c3)CCOCC2)c([N+](=O)[O-])c1 556066400 DKNCJZXJJLNKPD-UHFFFAOYSA-N 440.418 4.297 5 20 IIBD O=C(CN[C@@H](c1cncc(Br)c1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl 560175347 SJIVPLDSGOXZNZ-QGZVFWFLSA-N 439.697 4.085 5 20 IIBD CN1CC[C@H](NCCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1c1ccc(F)c(F)c1 564613790 AERLSOBJQXJKFP-SIKLNZKXSA-N 428.439 4.106 5 20 IIBD CS(=O)(=O)c1ccc(-c2nc([C@H](F)c3ccc(C(F)(F)F)cc3)no2)cc1[N+](=O)[O-] 565628083 YDPPOXXNDQSYAB-CQSZACIVSA-N 445.350 4.126 5 20 IIBD CC(C)(C)c1ccc(C(=O)Nc2cc(F)c(OC(F)F)cc2-n2cncn2)cc1[N+](=O)[O-] 567139536 WZBLYDOZZSZWFP-UHFFFAOYSA-N 449.389 4.466 5 20 IIBD O=C(Nc1cc(F)c(Cl)cc1N1CCOCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 568325616 MZUJVHYSRVMUCF-UHFFFAOYSA-N 448.882 4.076 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC(c2noc3cc(F)ccc23)CC1 574607984 ZHKMSDGROBQGNT-UHFFFAOYSA-N 439.852 4.097 5 20 IIBD Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)CC2 581212800 XOZNPCLJWGVRQU-ZDUSSCGKSA-N 444.900 4.367 5 20 IIBD C[C@H](c1cccc([N+](=O)[O-])c1)c1nc(Cc2cc(Br)c3c(c2)OCCO3)no1 581751586 HJCHSBOABGVURE-LLVKDONJSA-N 446.257 4.254 5 20 IIBD O=C(c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)N(CCO)CC1CC1 583454699 VQROJEWGXJLYIQ-UHFFFAOYSA-N 429.523 4.200 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 586826436 ADDFKOFWKJCSDY-MJXNMMHHSA-N 449.429 4.184 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C)cc1Br 586836290 IBEUXEVLIIBJGQ-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccc(OC(F)F)cc2)o1 594669817 PKLMNCVOISZSSO-UHFFFAOYSA-N 436.396 4.285 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCc2nc3ccccc3[nH]2)cc1[N+](=O)[O-] 598895117 WCPUGWJXBVHMMU-UHFFFAOYSA-N 446.488 4.354 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 603642814 MSOQJRKJRNYKFS-UHFFFAOYSA-N 437.283 4.200 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCc4ccc(O)cc4C3)cc2[N+](=O)[O-])n1 603882981 HIQUYQICVQVQOZ-UHFFFAOYSA-N 427.507 4.415 5 20 IIBD Cc1cc(C(=O)NC2CCCCC2)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C 603982030 SRPZEANBUYYTDU-UHFFFAOYSA-N 445.541 4.383 5 20 IIBD CCC[C@@H](NC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccn1 609150336 ZKYVECYXQNZBFQ-OAHLLOKOSA-N 425.411 4.261 5 20 IIBD Cc1cccc(Oc2ccccc2CNC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 609294706 ZIRLLWZLCMOMSN-UHFFFAOYSA-N 447.495 4.122 5 20 IIBD O=C1[C@@H](Sc2nc(O)c3c4c(sc3n2)CCCC4)CCN1c1cccc([N+](=O)[O-])c1 609449808 IPSNBJBWGIUMDU-HNNXBMFYSA-N 442.522 4.082 5 20 IIBD Cc1ccc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c(-c2nc3ccccc3[nH]2)c1 609501877 HNHIUKWSSQYGGQ-UHFFFAOYSA-N 443.463 4.205 5 20 IIBD C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1cccc(Cl)c1Cl 609796135 ODXXDVCYMMZGAE-ZWNOBZJWSA-N 442.324 4.445 5 20 IIBD O=C(NCc1cccc(-n2cncn2)c1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609809753 DVQGCUUXAMWMSG-UHFFFAOYSA-N 430.424 4.290 5 20 IIBD O=C(CCCCc1ccc(Br)cc1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 609840118 GDQDKXZSUUVMLT-KRWDZBQOSA-N 447.333 4.178 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(C(C)(C)C(N)=O)cc3)cc2[N+](=O)[O-])C1 610050534 OULPLAFAFGCTSV-IYBDPMFKSA-N 438.528 4.092 5 20 IIBD COc1cc(C(=O)NCCc2ccc(OCc3ccccc3)cc2)cc([N+](=O)[O-])c1OC 610172155 YKDJHOUGKQNTGP-UHFFFAOYSA-N 436.464 4.164 5 20 IIBD COc1cc(C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)cc([N+](=O)[O-])c1OC 610197504 RIKWBWCTKJGACZ-KRWDZBQOSA-N 441.267 4.133 5 20 IIBD Cc1ccc(-n2c(Sc3c([N+](=O)[O-])ncn3C)nc3sc4c(c3c2=O)CCC4)cc1 610337763 UCHBWAVVHSRUAN-UHFFFAOYSA-N 439.522 4.037 5 20 IIBD COC(=O)c1cc(NC(=O)NCCc2c[nH]c3cc(Cl)ccc23)c(C)c([N+](=O)[O-])c1 617017006 UQXRJQBBYPCJJY-UHFFFAOYSA-N 430.848 4.189 5 20 IIBD Cc1ccc(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c(N2CCCC2)n1 672945465 KDAPIOPMCXOMAA-UHFFFAOYSA-N 448.473 4.193 5 20 IIBD CN(C)CCNC(=O)c1cccc(CNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])c1 727433357 UGCZRTGXBBONBY-UHFFFAOYSA-N 444.841 4.171 5 20 IIBD CSCCc1ccc(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])cc1 727671586 CEYMHCJPEFFAIA-UHFFFAOYSA-N 431.333 4.064 5 20 IIBD Cc1ccc(CNC(=O)c2cccc(CNC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])c2)cc1 727708795 JJRHTZSXAWNPRN-UHFFFAOYSA-N 439.418 4.041 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)c1ccc2c(c1)CC(=O)N2C 728252144 QYCQYHNMDHDZLW-HNNXBMFYSA-N 431.448 4.397 5 20 IIBD CCSc1ccc([C@@H](C)NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cc1 728834991 HHLPNHIMOHIQQW-UKRRQHHQSA-N 431.489 4.076 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1nc(-c2ccccc2)cs1 730090106 XZJGMHKKXYZOHO-LBPRGKRZSA-N 432.479 4.040 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 730377573 YHRSRSBQYSTZCY-UHFFFAOYSA-N 449.250 4.191 5 20 IIBD O=C(COC(=O)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1)Nc1ccccc1[N+](=O)[O-] 730625562 UMMSUZIYPBJNFL-OAQYLSRUSA-N 442.374 4.175 5 20 IIBD Cc1c(C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 731299091 OQBHYIPWTZLRPF-QGZVFWFLSA-N 437.412 4.229 5 20 IIBD O=C(COc1cccc(NC(=O)c2ccco2)c1)OCc1cc([N+](=O)[O-])ccc1Cl 734779590 IIPPCIRIAHVTRS-UHFFFAOYSA-N 430.800 4.216 5 20 IIBD Cc1c(C(=O)N2CCN(C(=S)Nc3ccc([N+](=O)[O-])cc3)CC2)sc2ccccc12 741168564 MIBMPYKOLDSBFT-UHFFFAOYSA-N 440.550 4.273 5 20 IIBD CNC(=O)c1cc(C)ccc1NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 741198173 XLNYBVCRQAAAGV-UHFFFAOYSA-N 448.266 4.008 5 20 IIBD O=[N+]([O-])c1cn(CNC2(c3cccc(Br)c3)CCC2)nc1-c1ccncc1 742148367 ULNUDGSAXHZQQX-UHFFFAOYSA-N 428.290 4.242 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 742397749 SZVHIQKVWOUCTR-UHFFFAOYSA-N 447.373 4.368 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3cnn(C(C)(C)C)c3CC)CC2)ccc1[N+](=O)[O-] 744203252 GFKSMQQNTVYBJP-UHFFFAOYSA-N 444.532 4.333 5 20 IIBD CCOc1cc(C(=O)O[C@H]2CCCN(c3ccccc3Cl)C2=O)c([N+](=O)[O-])cc1OC 744518711 WLGWSICEPONPCE-KRWDZBQOSA-N 448.859 4.008 5 20 IIBD C[C@H]1CCC[C@@H](OCc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1 745098733 HEQVMXDKTKTAQY-KBXCAEBGSA-N 449.485 4.399 5 20 IIBD C[C@H]1[C@@H](C(F)(F)F)OC(=O)N1c1ncccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 746485794 UZHNXFOATWHTFD-SDBXPKJASA-N 444.753 4.172 5 20 IIBD COCc1cc([N+](=O)[O-])ccc1N(C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 747216502 WGWRSGQEHXUVGM-UHFFFAOYSA-N 441.509 4.178 5 20 IIBD CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C(=O)c1cc([N+](=O)[O-])ccc1F 748799371 BGPHVCCNAGZMDU-UHFFFAOYSA-N 429.448 4.352 5 20 IIBD Cc1cc(F)cc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)c1[N+](=O)[O-] 752557288 NQPCYENMFOXIKA-GFCCVEGCSA-N 429.429 4.350 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 753382299 JTPNRAQTNMBXQO-QHCPKHFHSA-N 446.548 4.306 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 754983870 ATZKZQLJJLECGC-ZETCQYMHSA-N 446.174 4.133 5 20 IIBD COc1c(F)ccc(F)c1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 756675088 BNJSHQASDUDUAO-MRVPVSSYSA-N 448.300 4.084 5 20 IIBD O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 757668486 YXKJZVQXTOIOHV-UHFFFAOYSA-N 427.413 4.267 5 20 IIBD Cc1nc(COc2cccc(C(=O)O[C@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)c2)cs1 759955564 XZQCQESPWJNSMM-MOPGFXCFSA-N 442.497 4.476 5 20 IIBD COc1ccccc1[C@@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccccn1 760682829 DCLOIEQGSDYIOS-LJQANCHMSA-N 442.269 4.280 5 20 IIBD Cc1nc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)Cl)ccc1[N+](=O)[O-] 762338855 QUBTYAPUDMDEPC-UHFFFAOYSA-N 443.197 4.073 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1NCCCCc1ccc([N+](=O)[O-])cc1 762769227 ZXNOZUYPDYONAZ-BHIFYINESA-N 447.576 4.312 5 20 IIBD O=C(N[C@@H]1CC[C@H]2SCCS[C@H]12)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 763178667 BEIJLIJESNYYQK-MISYRCLQSA-N 429.567 4.316 5 20 IIBD O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCOC[C@@H]1C[C@H](O)c1ccccc1 763722215 BLBHQGKRORKIJC-URXFXBBRSA-N 447.491 4.303 5 20 IIBD C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@H](O)c1c(F)cccc1Cl 765181905 AEAMQCMMJLWFFC-MLXNANBUSA-N 449.635 4.141 5 20 IIBD Cc1ccc(F)c(C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1F 766973792 FEAIAZKOKCVYJY-LLVKDONJSA-N 447.419 4.489 5 20 IIBD Cn1cc(C(=O)COC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])cn1 767741697 LZTFBUCVIRSOSJ-UHFFFAOYSA-N 431.857 4.173 5 20 IIBD Cc1cc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])nn1CCCOc1ccc(F)cc1 768204223 SMOWOIHXEPXYEJ-UHFFFAOYSA-N 434.374 4.238 5 20 IIBD COC(=O)[C@]1(F)CCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C1 768217742 PICSRMRWKOCGGR-IBGZPJMESA-N 438.864 4.127 5 20 IIBD O=[N+]([O-])c1cc(CN2CCC[C@@H](c3nnc4n3CCCCC4)C2)ccc1Br 768224815 AKVVXEACOQQPEF-OAHLLOKOSA-N 434.338 4.055 5 20 IIBD COc1ccc(CSCC(=O)Oc2c(Br)cccc2OC)cc1[N+](=O)[O-] 769718682 ZCBSHVPUQDKQCK-UHFFFAOYSA-N 442.287 4.213 5 20 IIBD COc1cc(F)cc(CNc2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])c1 769914582 UJYRLPKMQULEKZ-UHFFFAOYSA-N 430.186 4.034 5 20 IIBD Cn1c(COC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 770386941 CYLXYHNLWKDGQF-UHFFFAOYSA-N 440.765 4.420 5 20 IIBD Cc1cnc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)nc1 772307326 JAUSKHZHENSCPW-UHFFFAOYSA-N 431.496 4.405 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(CCN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 774229060 YUKDRVMVWFWOIV-RTBURBONSA-N 429.521 4.454 5 20 IIBD COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 776274491 IDHTZZIDBSHREI-RDGATRHJSA-N 434.492 4.293 5 20 IIBD Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c(SCCC(=O)O)c1 776445274 KDZLSUIHUWFBHB-UHFFFAOYSA-N 444.918 4.233 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC[C@@H](c1ccccc1Cl)N1CCCC1 781570090 XXSGSTCIHITSOJ-FQEVSTJZSA-N 446.891 4.042 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)C(C)(C)CC(=O)c1ccc(Cl)cc1 781748860 DTETWHYTGASNNV-UHFFFAOYSA-N 432.860 4.338 5 20 IIBD Cc1nn(C)c(C)c1[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1Br)C(F)(F)F 782125340 VMIJZGDGZURWSN-CYBMUJFWSA-N 436.184 4.168 5 20 IIBD CC(C)(C)[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)cc1F 783334475 HPCKHBQWJLYRDB-INIZCTEOSA-N 425.819 4.369 5 20 IIBD CC(C)(C)OC(=O)NCCOc1ccc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1 784130987 WRWPRIQAXQCVEQ-UHFFFAOYSA-N 437.399 4.029 5 20 IIBD O=C(CC(c1ccccc1)c1ccccc1)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 784587882 JRVMBQUADSUUAC-UHFFFAOYSA-N 430.460 4.249 5 20 IIBD CC[C@@H](OC1CCCC1)C(=O)O[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 785931255 DVFZKKAYFNOFOE-FZKQIMNGSA-N 447.513 4.326 5 20 IIBD O=C(CN1CCC[C@H]1c1ccc(Br)cn1)Nc1ccc(Cl)c([N+](=O)[O-])c1 787688108 NNIGQSUQYRUZPI-HNNXBMFYSA-N 439.697 4.181 5 20 IIBD COc1cc(COC(=O)c2cccnc2C(F)(F)F)c([N+](=O)[O-])cc1OCC(F)F 788135267 LBDSPQVOODFHFH-UHFFFAOYSA-N 436.289 4.018 5 20 IIBD CCn1c(SCCC(=O)Nc2ccc(N(C)C)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 790129851 ZUYNFKSWJNLUIQ-UHFFFAOYSA-N 440.529 4.060 5 20 IIBD C[C@H](OC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]1c1cccs1 790745951 PBBWSYUVNAQXQI-NHYWBVRUSA-N 440.880 4.287 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 790956020 DQLULLPHTAAHKZ-UHFFFAOYSA-N 431.202 4.374 5 20 IIBD Cc1cc(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)nn1[C@@H](C)C1CC1 791236451 XRYGXQYQJGNVQP-LBPRGKRZSA-N 433.306 4.032 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N(Cc2cccnc2)Cc2ccco2)c(Cl)cc1Cl 791419963 JLNSSBDXBANIBY-UHFFFAOYSA-N 442.280 4.281 5 20 IIBD O=C(C[C@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1cccs1 791422109 JILTXQSJOZVXGI-SNVBAGLBSA-N 449.337 4.389 5 20 IIBD C[C@H](OC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C(=O)N(C)Cc1nc2ccccc2s1 796441831 MYYBGFFCIJMWMI-AWEZNQCLSA-N 441.509 4.072 5 20 IIBD COc1ccc([C@H]2[C@@H](COC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])CCC(=O)N2C)cc1 796911857 LJNPLPOZNLURNF-VGSWGCGISA-N 440.496 4.034 5 20 IIBD Cc1cc([C@@H]2CCCN2C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)ccc1Br 797573273 PYHIAJKOJVKWTF-SFHVURJKSA-N 443.301 4.379 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)C(=O)Nc1c(F)ccc([N+](=O)[O-])c1C 800601509 RPOIIBPTTRWNRO-LBPRGKRZSA-N 442.472 4.290 5 20 IIBD COc1ccc(-c2ccc(CNC(=O)C(=O)Nc3c(F)ccc([N+](=O)[O-])c3C)s2)cc1 800615188 SRYDGWXHXQVMOZ-UHFFFAOYSA-N 443.456 4.034 5 20 IIBD CC(C)(C)OC(=O)NC[C@]1(C)CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 801451660 KJHJZFNCDHJECN-VWLOTQADSA-N 435.524 4.058 5 20 IIBD COc1ccc(COC(=O)c2cc([N+](=O)[O-])cc(C)c2F)c(Br)c1OC 803462657 VULHLTJBCHNCRS-UHFFFAOYSA-N 428.210 4.179 5 20 IIBD O=C(NC[C@H](O)c1cccc(Br)c1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813566270 ZZQDUUQYBBWFBE-ZDUSSCGKSA-N 434.073 4.128 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC[C@@H]21 816999204 VLVOQYQKBWVHGR-DOMZBBRYSA-N 443.422 4.085 5 20 IIBD C[C@@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 819469504 RKUDFPMLOIYPQS-QGZVFWFLSA-N 446.511 4.147 5 20 IIBD O=C(COC(=O)C1(c2ccc(Cl)cc2)CC1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 845085688 JGIFOPCSGCPGSW-UHFFFAOYSA-N 442.777 4.481 5 20 IIBD O=C(CCOc1ccc(Cl)c(Cl)c1)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 914811768 AJFSULKONNRCDY-UHFFFAOYSA-N 438.223 4.464 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Oc3cccc(NC(=O)C4CC4)c3)cc2)c(C)c1[N+](=O)[O-] 916422527 XDEXMWNYNHUNLF-UHFFFAOYSA-N 434.452 4.024 5 20 IIBD COc1c([N+](=O)[O-])cc(NCCO[C@@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1Br 917074981 NTVVFYHRQHUROM-GXFFZTMASA-N 432.271 4.281 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)CCc2ccccc2Br)cccc1[N+](=O)[O-] 919493646 YUEHWFMBWKQHAF-ZDUSSCGKSA-N 435.274 4.169 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)cc1Cl 919569387 XKHYVONLWFWLHW-VHSXEESVSA-N 429.231 4.463 5 20 IIBD C[C@H](Nc1ccc(C(=O)O[C@@H](C(=O)N(C)C)c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 920545343 QFZXPSDJUAYSIE-KSFYIVLOSA-N 448.479 4.149 5 20 IIBD O=C(c1cccc2ccccc12)N1CCC(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC1 1116164813 UFKFJLOPETWXTM-UHFFFAOYSA-N 429.476 4.143 5 20 IIBD O=C(c1cc2c(Cl)c(Cl)ccc2[nH]1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1318088496 YTRAVLCGFAWJGM-UHFFFAOYSA-N 433.295 4.341 5 20 IIBD CCOc1ccc(CN(C)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1OC 1321089508 BPRWMRDCEDXQLJ-UHFFFAOYSA-N 441.406 4.363 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1-c1nnc(-c2sc(N3CCOCC3)nc2C)o1 1325796509 ACVMPCLQFNAITB-UHFFFAOYSA-N 433.515 4.025 5 20 IIBD CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1c1nnc(COc2ccccc2[N+](=O)[O-])o1 1326073751 ZUXNAEKPWMUUKQ-HNAYVOBHSA-N 436.468 4.229 5 20 IIBD COc1cc(COC(=O)c2cnn(C3CCCCC3)c2)c([N+](=O)[O-])cc1OCC(F)F 1337450884 NVQZETYENZDWSL-UHFFFAOYSA-N 439.415 4.306 5 20 IIBD C[C@@H]1C[C@]1(C)C(=O)Nc1ccc(C2(NC(=O)c3cc([N+](=O)[O-])cc4c3OCC4)CCC2)cc1 1790427318 PLWDOFULYOKAQI-MYYSRTQBSA-N 449.507 4.324 5 20 IIBD Cc1cc(F)ccc1C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1 1792185169 OSBHEMWEUMLXQJ-UHFFFAOYSA-N 436.443 4.432 5 20 IIBD CCCCC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc([N+](=O)[O-])c(O)cc1C 1800803460 WUTPXAYQPMMESG-OWLYRPNTSA-N 431.533 4.077 5 20 IIBD CCC[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)C3)CC1 1801811133 DNRUYSGVRQNUEZ-LQRNAGDYSA-N 443.544 4.446 5 20 IIBD CC(C)=CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)n[nH]1 1821044509 IXLVVFFKUYNHDG-KRWDZBQOSA-N 441.488 4.076 5 20 IIBD CCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCCc2cc(C)c(F)cc2[N+](=O)[O-])CC1 1824370116 OFEQFKAGUUCNHI-OAQYLSRUSA-N 447.551 4.395 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nc2sc(C)c(C)c2c1=O 3373971 JDVDMIAPNCQZPN-GFCCVEGCSA-N 432.527 4.122 5 20 IIBD COc1ccc(C(=O)C2CCN(C(=O)c3ccc(Br)c([N+](=O)[O-])c3)CC2)cc1 9984127 PROHEDCHXZHYQZ-UHFFFAOYSA-N 447.285 4.101 5 20 IIBD C[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)N1c2ccccc2C[C@@H]1C 10722769 TZNIGXMVVANUSM-ROUUACIJSA-N 440.499 4.064 5 20 IIBD COc1cc(CCNC(=O)c2oc3ccccc3c2CSC)c([N+](=O)[O-])cc1OC 11080574 SRUWVAOMPRGNHV-UHFFFAOYSA-N 430.482 4.194 5 20 IIBD Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c(C)c1 12090628 LHWRVSNEAWDLGR-CYBMUJFWSA-N 435.274 4.467 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(N2CCCC2=O)c1 15176452 VQKBFNMQWKAPEN-UHFFFAOYSA-N 439.415 4.471 5 20 IIBD COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)CC2 16002302 ZOIJDCNIFXCIHS-DEOSSOPVSA-N 448.475 4.409 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1cccc(Br)c1)c1ccccc1[N+](=O)[O-] 16144582 BORMASKVDVCTSW-INIZCTEOSA-N 435.274 4.170 5 20 IIBD C[C@H](OC(=O)c1cccc(Cl)c1N)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 18404026 HRRMORNBDAMVSV-JTQLQIEISA-N 446.872 4.138 5 20 IIBD CCS(=O)(=O)c1ccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 22285860 YWKARLFNEXDQGG-UHFFFAOYSA-N 448.444 4.138 5 20 IIBD COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)Nc1ccccc1[N+](=O)[O-])CC2 25390716 CCFFQHBFHMJFFG-VWLOTQADSA-N 447.491 4.198 5 20 IIBD Cc1cc(NCC(=O)Nc2ccc(Br)cc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 60860455 YTPLKYVIIKXOHD-UHFFFAOYSA-N 442.273 4.173 5 20 IIBD O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)Nc1ccccc1Sc1ccccc1 69075854 ZGAIXUFVIZVHTC-UHFFFAOYSA-N 432.461 4.095 5 20 IIBD O=C(c1csc(-c2ccc(Cl)s2)n1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 108955392 LOKCKPGSSSKDLW-UHFFFAOYSA-N 434.930 4.396 5 20 IIBD CCOc1cc(C(=O)N[C@@H](Cc2ccc(C)cc2)c2ccccn2)c([N+](=O)[O-])cc1OC 303581713 DVVFWKIXAFRVAB-FQEVSTJZSA-N 435.480 4.419 5 20 IIBD CC(C)n1c([C@@H]2CCCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C2)nc2ccccc21 303584835 SEBZVSIHIMMOMO-CQSZACIVSA-N 425.464 4.267 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 410421411 MJVJSDFCRDJNBN-UHFFFAOYSA-N 425.875 4.181 5 20 IIBD CC(C)(NC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 430516958 BZZFJUIYWWUROB-UHFFFAOYSA-N 438.505 4.234 5 20 IIBD Cc1ccccc1CN1CCC(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 431588306 FGHKKECANZMHIU-UHFFFAOYSA-N 432.318 4.060 5 20 IIBD Cc1cc(Oc2ncccn2)ccc1NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 431591928 JIBDCLDETVOSKB-UHFFFAOYSA-N 431.408 4.051 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3cc(OC)ccc3Cl)CC2)ccc1[N+](=O)[O-] 431984394 XKANKWCFESNOBB-UHFFFAOYSA-N 434.880 4.010 5 20 IIBD COc1ccc(Cl)cc1-c1cc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])n[nH]1 434971691 CFKLSWZILNHBSA-UHFFFAOYSA-N 436.877 4.065 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(Br)c(Cl)c2F)c(C)c([N+](=O)[O-])c1 435967188 NCGZHXYUTKITDQ-UHFFFAOYSA-N 445.628 4.497 5 20 IIBD O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 436057842 HHRLYXJRXKNECY-UHFFFAOYSA-N 447.485 4.354 5 20 IIBD Cc1cc(N2CCOCC2)ccc1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436085059 SACOSUATKKWIAX-UHFFFAOYSA-N 449.457 4.357 5 20 IIBD O=C(c1cc(Cl)cc(Cl)c1)N1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 436312810 WDRHUVKBQBEVFH-UHFFFAOYSA-N 449.216 4.278 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCc2ccc(-c3ccccc3)cc21 439819317 IKTOGWUOESQSSY-NRFANRHFSA-N 445.475 4.403 5 20 IIBD CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)c1 442988291 ANVKYPQJEXRUNR-SFHVURJKSA-N 447.557 4.189 5 20 IIBD CCc1[nH]nc(C(=O)N(C)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c1[N+](=O)[O-] 444215865 BOUGEEQABPYACD-UHFFFAOYSA-N 435.362 4.363 5 20 IIBD O=C(CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1ccc(Oc2ccccc2)cc1 444253263 SZZBKHPOUQWYQU-LJQANCHMSA-N 447.495 4.297 5 20 IIBD COC(=O)C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccc(C(F)(F)F)cc1 444917260 DLVGZMKECHIVDI-HNNXBMFYSA-N 441.362 4.048 5 20 IIBD CC(C)Oc1ccc(Br)cc1NC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444927736 YBMHIAUXQIHBPV-UHFFFAOYSA-N 448.277 4.343 5 20 IIBD CCOc1ccc([C@H](C)NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)cc1[N+](=O)[O-] 447549313 DUUAUTSXGDSWJT-LBPRGKRZSA-N 446.447 4.267 5 20 IIBD O=[N+]([O-])c1ccc2nc(N3CCCN(Cc4ccc(OCC(F)(F)F)cc4)CC3)[nH]c2c1 460346303 JUHWCEMBMXEKHZ-UHFFFAOYSA-N 449.433 4.125 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 460482088 YIFASXGXEQQIMK-UHFFFAOYSA-N 445.401 4.044 5 20 IIBD O=C(Cc1csc(-c2cccc(Br)c2)n1)NCCc1ccccc1[N+](=O)[O-] 460510252 PUDDTLZWHIIUPE-UHFFFAOYSA-N 446.326 4.382 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C 462415293 GNIDWDRCAGNTDU-UZLBHIALSA-N 426.904 4.456 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCC[C@@](CO)(Cc2ccccc2)C1 462898822 YQVCFCZPJLMMFJ-HHHXNRCGSA-N 444.506 4.278 5 20 IIBD Cc1sc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)cc1[N+](=O)[O-] 466971223 OAWFJWFHAPKEJE-UHFFFAOYSA-N 435.458 4.157 5 20 IIBD COCCN(C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)[C@@H]1CCCSC1 468602883 QGVAKVCQQAGCDB-FUHWJXTLSA-N 444.557 4.147 5 20 IIBD COc1cc(C(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)cc([N+](=O)[O-])c1OC 470242227 PSLQNLKPHUEPLE-ZDUSSCGKSA-N 441.267 4.212 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(N[C@@H]2CCCO[C@H]2c2ccc(C)cc2)c([N+](=O)[O-])c1 470880558 RAXCJWOSJDGIDB-IRLDBZIGSA-N 447.557 4.266 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 473352646 SFOACXDHVRYRAL-UHFFFAOYSA-N 447.419 4.235 5 20 IIBD C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(Br)cn1 477777093 TZMYNUAGCPYGRN-CQSZACIVSA-N 436.309 4.190 5 20 IIBD COc1cc(C(=O)Nc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)cc([N+](=O)[O-])c1C 479819453 QDADARALIGHBMH-CQSZACIVSA-N 425.485 4.345 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2cccc(C(C)(C)C)c2O)ccc1[N+](=O)[O-] 480064088 UNSXNBFNMAIWMI-IBGZPJMESA-N 425.485 4.150 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CNc3ccc(Cc4nnc5n4CCC5)cc3)cs2)c1 480469235 POQBHXHHRACSQT-UHFFFAOYSA-N 432.509 4.459 5 20 IIBD CCN([C@@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 481439570 COFIHCVZQKHWKO-QFIPXVFZSA-N 425.510 4.407 5 20 IIBD Cc1c(CNC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)cccc1[N+](=O)[O-] 481484785 XBMWNGBFJHCQTR-UHFFFAOYSA-N 449.492 4.152 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 481565981 DSNORBUVLRPVRK-LBPRGKRZSA-N 426.441 4.426 5 20 IIBD Cc1c([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cnn1-c1ccc(F)cc1 483845536 ISQDQQQTQZYIQH-LLVKDONJSA-N 434.374 4.320 5 20 IIBD C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 484977320 RLRICSVCKVAPMA-UGSOOPFHSA-N 445.401 4.418 5 20 IIBD O=[N+]([O-])c1ccc(Sc2nnc([C@@H]3CCCNC3)n2C2CC2)nc1-c1ccc(F)cc1 485400799 SAQKWSPSQYPFAA-CQSZACIVSA-N 440.504 4.341 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1SCc1occc1C(=O)O 485648553 ZVMNDWDQQPXRBA-UHFFFAOYSA-N 441.465 4.020 5 20 IIBD COC(=O)c1cc(NC(=O)c2csc(-c3ccc(OC)cc3)n2)c(C)c([N+](=O)[O-])c1 485983237 WLKRFXGRSGFWOM-UHFFFAOYSA-N 427.438 4.074 5 20 IIBD CC(=O)c1sc(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)nc1-c1ccccc1 486805110 UODZZRSRIJGIRL-UHFFFAOYSA-N 448.460 4.487 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 487990937 ICKBDDSRRAOMRE-SNVBAGLBSA-N 447.845 4.227 5 20 IIBD CN(Cc1csc(Br)c1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 488073583 LNLOZAWIDQUTTE-UHFFFAOYSA-N 432.727 4.456 5 20 IIBD O=C(Nc1cccc(F)c1)[C@@H]1CSCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 488124298 QLATZLBXGVZMNE-HNNXBMFYSA-N 431.470 4.102 5 20 IIBD COC(=O)COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)c(C)c1 488298908 XSGGOORELBLWIG-UHFFFAOYSA-N 432.498 4.455 5 20 IIBD C[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 488345309 KAPVHDVQPZYRNF-APWZRJJASA-N 430.936 4.001 5 20 IIBD C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCN1Cc1ccccc1 489907527 OBMAWTCFCLRMBT-RDJZCZTQSA-N 433.455 4.321 5 20 IIBD O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1cnc(-c2ccc3c(c2)OCO3)s1 489959305 UEFCMYHZEOOLMJ-UHFFFAOYSA-N 435.421 4.089 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 489965744 NOCQJRXPJIVYPM-JKSUJKDBSA-N 437.496 4.279 5 20 IIBD CS(=O)(=O)c1cc(C(=O)N[C@@H]2CCc3ccc(-c4ccccc4)cc32)cc([N+](=O)[O-])c1 490411418 IEIIWQRTOFWDQX-JOCHJYFZSA-N 436.489 4.083 5 20 IIBD CCCC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1 491585579 FADUYNDYYOYDCY-UHFFFAOYSA-N 425.894 4.404 5 20 IIBD O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 494227513 OVBSAFZHJPPGAW-UHFFFAOYSA-N 439.447 4.269 5 20 IIBD CCC(CC)N(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 494835033 GEFYKBSCCGYCPP-UHFFFAOYSA-N 433.530 4.355 5 20 IIBD O=C(NCc1ccc(N2CCc3ccccc3C2)nc1)c1ccc([N+](=O)[O-])c2cccnc12 498177775 CARSOCJDFLGBSA-UHFFFAOYSA-N 439.475 4.031 5 20 IIBD COc1cc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccc[nH]2)c([N+](=O)[O-])cc1OC 499352480 RBSQNTNOVAVTDD-UHFFFAOYSA-N 429.816 4.077 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 499525274 YHMLHVQGRRVWFH-NRFANRHFSA-N 434.427 4.020 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCOC[C@H]1c1nc2ccccc2s1 500660982 CWUJTELWDVCTPL-HNNXBMFYSA-N 448.298 4.181 5 20 IIBD Cc1ccc(-c2nn(C[C@H](O)COc3cccc([N+](=O)[O-])c3)c(=O)c3ccccc23)cc1C 502835074 XGEKGZWYPPYIQM-FQEVSTJZSA-N 445.475 4.028 5 20 IIBD NC(=O)c1ccc(SCC(=O)N[C@@H](CC2CCCC2)c2ccccc2)c([N+](=O)[O-])c1 505296990 CUAXCQBYVRBNDE-SFHVURJKSA-N 427.526 4.224 5 20 IIBD COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 505564051 CLYDQSBSZDXJRO-UHFFFAOYSA-N 448.435 4.416 5 20 IIBD Cc1ccc(-c2csc(C[S@@](=O)CCC(=O)Nc3ccccc3[N+](=O)[O-])n2)cc1 505734847 XXSWGWIJEKCEFT-LJAQVGFWSA-N 429.523 4.304 5 20 IIBD Cn1cc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)c(-c2ccc3c(c2)OCCCO3)n1 507169225 USBXGQMHZRLFIO-UHFFFAOYSA-N 434.496 4.321 5 20 IIBD CCN(CC)c1ccc(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cn1 507339314 IOSPIWMIUHZKPX-QGZVFWFLSA-N 448.527 4.334 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2cccc([C@H](C)N3CCOCC3)c2)cc1[N+](=O)[O-] 509887153 QFFBFKNPGYWZQY-AWEZNQCLSA-N 448.317 4.311 5 20 IIBD C[C@H]1C[C@H](CCNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CN1Cc1ccccc1 510102967 TWSKNHWPAFXPHR-FPOVZHCZSA-N 436.556 4.226 5 20 IIBD CC(C)CNC(=O)c1ccc(NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1Cl 511109172 JQAMUPCUSIBUAF-UHFFFAOYSA-N 429.864 4.296 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 511331324 CPOJYAPFFNJPBG-UHFFFAOYSA-N 444.850 4.213 5 20 IIBD C[C@@H]1CN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2cccc([N+](=O)[O-])c2)CCC3)C[C@H]1O 512083990 NINJMMKEGWHQJZ-ASJZPLOQSA-N 443.503 4.473 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CSc2nnc(NC(C)=O)s2)cc1OC 514104165 IROVTELYMMGTOL-SNVBAGLBSA-N 426.520 4.131 5 20 IIBD C[C@@]1(C2CC2)NC(=O)N(c2cccc(CNc3ccc([N+](=O)[O-])c(OC(F)F)c3)c2)C1=O 517253049 GYTMXTMILYMWKD-NRFANRHFSA-N 446.410 4.033 5 20 IIBD O=C(Nc1ccccc1CN1CCOCC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 517469846 AOMATABNXAGPNT-UHFFFAOYSA-N 432.480 4.423 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N[C@@H](c1ccc(F)cc1)c1cccs1 518131117 GQNGFTAIDQJOKO-IBGZPJMESA-N 447.875 4.084 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCN(C(=O)c2ccccc2)CC1 522708768 ICPKFCPBLGOXDR-UHFFFAOYSA-N 446.463 4.377 5 20 IIBD CCOc1cc(NC(=O)N2CCO[C@H](c3ccccc3F)C2)c([N+](=O)[O-])cc1OCC 524306411 ZOYKXTCVHKUETR-FQEVSTJZSA-N 433.436 4.137 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCCN(c2ncnc3sccc23)C1 525285701 DAYCRSUCILAPLM-NSHDSACASA-N 449.439 4.056 5 20 IIBD O=C(c1ccc(Oc2ccccc2Cl)nc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 531072858 VOFNDASFPTYBJT-OAHLLOKOSA-N 439.859 4.157 5 20 IIBD O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1c[nH]c2cccc([N+](=O)[O-])c12 534231933 DLRVLHDBWRGUDN-UHFFFAOYSA-N 434.374 4.184 5 20 IIBD O=C(O)CCCc1ccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 534692647 QVIAOLWCTMXCHR-UHFFFAOYSA-N 433.269 4.110 5 20 IIBD Cc1nc([C@H](NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2)no1 536525750 PTWOVSHYDPDULX-APPDUMDISA-N 432.889 4.326 5 20 IIBD Cc1cc(F)c(NC(=O)Cc2cccc([N+](=O)[O-])c2C)c(I)c1 536570683 JTAYXWYHNMUVSJ-UHFFFAOYSA-N 428.201 4.137 5 20 IIBD Cc1c([C@@H](C)NCc2ccc(Br)cc2N2CCOCC2)cccc1[N+](=O)[O-] 536851294 IQESYSUXINIXDW-OAHLLOKOSA-N 434.334 4.353 5 20 IIBD COC(=O)c1ccccc1CCC(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 539355488 BTMGJFKAJWXBJH-UHFFFAOYSA-N 425.466 4.101 5 20 IIBD Cc1c(NC(=O)[C@H](C)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cccc1[N+](=O)[O-] 540393465 KLEBHSOAMIETCO-SJORKVTESA-N 447.495 4.228 5 20 IIBD COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 541385559 FTOOTNTUCFSLJY-DHIUTWEWSA-N 445.475 4.299 5 20 IIBD Cc1ccc(-c2nc(C)c([C@H](C)NCCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 541660664 RURVPHGWKFJQJA-HNNXBMFYSA-N 445.566 4.460 5 20 IIBD CCc1noc2ncc(S(=O)(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc3)cc12 545107485 LHNPSTCVFVBKOU-UHFFFAOYSA-N 438.465 4.089 5 20 IIBD Cc1cc(C)n(-c2ccc(Cc3noc(-c4cc(O)nc5ccc([N+](=O)[O-])cc45)n3)cc2)n1 546248955 ANNOMOQNAKYSRG-UHFFFAOYSA-N 442.435 4.292 5 20 IIBD COc1cc(OCc2nc(-c3cc(Cl)ccc3O[C@H]3CCOC3)no2)ccc1[N+](=O)[O-] 546493903 YKZAACWWBRMCBP-AWEZNQCLSA-N 447.831 4.054 5 20 IIBD Cn1cnc(-c2ccc(NC(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)cc2)n1 546589498 WWSBMJZAHODYBU-UHFFFAOYSA-N 428.452 4.255 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2cccc(C)c2)n1CC 546665674 WOAKLFDUSXTBGW-UHFFFAOYSA-N 441.513 4.311 5 20 IIBD CC(C)(C(=O)NCc1ccc(COC2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1F 547243772 ALPICMUINZGIMG-UHFFFAOYSA-N 430.476 4.024 5 20 IIBD COc1cc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)ccc1OC(F)F 549048772 FLXFRJNQJPPYET-UHFFFAOYSA-N 434.317 4.496 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C 550289935 VKCLGVMADCJJCG-VBKZILBWSA-N 446.345 4.306 5 20 IIBD C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 556922196 FOGLVPSHEAQCHA-XIKOKIGWSA-N 426.300 4.332 5 20 IIBD O=C(N[C@@H]1CCC[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1I 557745158 LZTSKHBMRSPJML-WMLDXEAASA-N 436.249 4.266 5 20 IIBD COc1cccc(-c2nc(Cc3c(F)ccc(Br)c3F)no2)c1[N+](=O)[O-] 558388169 IPZMEBNWDWXQSF-UHFFFAOYSA-N 426.173 4.285 5 20 IIBD CCOC[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2ccccc2)C1 558945972 PZBMNFKTMXNTTD-FQEVSTJZSA-N 435.528 4.349 5 20 IIBD O=C(Cc1c[nH]c2cccc(Br)c12)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 559066749 PBLSTCLNNHHSDM-UHFFFAOYSA-N 446.257 4.181 5 20 IIBD Cc1cc(Cc2noc([C@H]3CCO[C@@H]3c3ccnn3Cc3ccccc3)n2)ccc1[N+](=O)[O-] 567311075 PIKMVKCHAILSDV-CVDCTZTESA-N 445.479 4.367 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(I)cc2C)c1 570297345 WXMNFUVUWKKDCH-UHFFFAOYSA-N 426.210 4.159 5 20 IIBD C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1ccc(Br)cc1F 570493377 OFVAKMDCJNXXIY-LLVKDONJSA-N 448.248 4.301 5 20 IIBD CC(=O)N1C[C@@H]2CCC[C@H](NCc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)[C@H]2C1 572625643 QQTUKZNGANDCNI-YYWHXJBOSA-N 427.476 4.263 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H](C)C1CCCCC1 578458310 PCRBOOBAXDOFHE-NEPJUHHUSA-N 426.311 4.017 5 20 IIBD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NC[C@@H]2CCN(c3ccc(Br)cc3)C2)n1 583123370 BLHMSBXZLPECHL-KFKAGJAMSA-N 448.365 4.154 5 20 IIBD COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 589251722 YOVOCARYRHSENB-UHFFFAOYSA-N 442.431 4.272 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C(=O)c2cc(F)ccc2F)CC1 603906155 URULGRADNHMRPC-ZDUSSCGKSA-N 434.464 4.475 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1 609066717 ULOJHQSICIDBRK-UHFFFAOYSA-N 434.374 4.336 5 20 IIBD O=C(NCc1nc[nH]n1)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2 609526213 JDAYIAFSRHVTEW-VBKFSLOCSA-N 440.463 4.068 5 20 IIBD COc1cc(CCNC(=O)Cc2sc(C)nc2-c2cccs2)c([N+](=O)[O-])cc1OC 609603667 YQZREDNDLRYRGG-UHFFFAOYSA-N 447.538 4.007 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 610353608 CYGHCEAOHZTSDF-ITGUQSILSA-N 427.345 4.346 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CC(c3nc4ccccc4[nH]3)C2)cc1[N+](=O)[O-])c1ccccn1 610705217 VJJIKTODMYOTQP-HNNXBMFYSA-N 442.479 4.279 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 611206398 KINIPMZRQVTQAU-TXEJJXNPSA-N 446.369 4.146 5 20 IIBD Cn1ccnc1[C@@H](NC[C@H](c1ccccc1Cl)N1CCCC1)c1cccc([N+](=O)[O-])c1 611560216 AEJKMXBALCJYHG-YADHBBJMSA-N 439.947 4.498 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1OCc1ncn(-c2ccccc2)n1 612661306 XWIWMQSHYZYJDG-UHFFFAOYSA-N 426.230 4.065 5 20 IIBD C[C@@H]1CN(c2ccccc2F)CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 616105895 KJBHCUOBVUIMCA-CQSZACIVSA-N 426.473 4.208 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OCc2ccc(OC(C)C)cc2)ccc1[N+](=O)[O-] 726675697 VLURIMJJKQCLRC-OAQYLSRUSA-N 426.469 4.038 5 20 IIBD C[C@@H](OC(=O)CC[C@@H](O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 726870667 JHWBJDBUYPICLP-FOIQADDNSA-N 428.485 4.276 5 20 IIBD CCCc1ccc(-c2cc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)n(CCO)n2)cc1 727314224 ZFLXGDYIMIGKTL-UHFFFAOYSA-N 428.876 4.309 5 20 IIBD O=C(COC(=O)CCc1ccc(OC(F)(F)F)cc1)Nc1cc([N+](=O)[O-])ccc1Cl 727534404 GAQVWGARWFEGAE-UHFFFAOYSA-N 446.765 4.261 5 20 IIBD O=C(CNc1ccc(OCc2cccc(F)c2)c(F)c1)N1CCc2ccc([N+](=O)[O-])cc21 728568561 BGLOKORKSSOTNA-UHFFFAOYSA-N 439.418 4.453 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1 730690904 ZZZYLEFDPYVCHR-LJQANCHMSA-N 433.823 4.256 5 20 IIBD O=C(NC[C@@H](O)c1cccc(C(F)(F)F)c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 730836067 IBIQXNNDUNGIBA-MRXNPFEDSA-N 437.399 4.201 5 20 IIBD COc1ccccc1[C@@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 731117023 GRLNRRVFXABEMD-DEOSSOPVSA-N 446.507 4.225 5 20 IIBD O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1csc(COc2ccc(F)cc2)n1 731578188 BVKKMRSRLVFRCG-UHFFFAOYSA-N 439.428 4.207 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 731616056 YWXFOCGRFJOHLC-CYBMUJFWSA-N 425.466 4.095 5 20 IIBD COc1ccnc(C(=O)O[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)c1 734914236 NOIDTWXEOQYBBL-IBGZPJMESA-N 441.827 4.189 5 20 IIBD CC(C)c1cccc(O[C@H](C)C(=O)OCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c1 735344074 DOPYKTWYZQKHHP-OAHLLOKOSA-N 428.441 4.027 5 20 IIBD O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N1CCCc2ccc([N+](=O)[O-])cc21 736018714 OYFZUFUOVDOVIL-UHFFFAOYSA-N 446.488 4.013 5 20 IIBD C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 738806365 FNRXKXFZFQOCGV-SCLBCKFNSA-N 436.386 4.141 5 20 IIBD COc1cc(N2CCC(OC(=O)Cc3csc(C(C)(C)C)n3)CC2)ccc1[N+](=O)[O-] 739379575 HHDDAOSXBYVHSD-UHFFFAOYSA-N 433.530 4.112 5 20 IIBD COc1cc(C(=O)NC[C@](C)(O)c2ccco2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 743655373 YFXVGSNRHKCEOS-NRFANRHFSA-N 446.843 4.280 5 20 IIBD CCOc1cc(N2CCC(OC(=O)Cn3c(C)cc4ccccc43)CC2)ccc1[N+](=O)[O-] 744204940 VAQYMZRBIHKMFN-UHFFFAOYSA-N 437.496 4.469 5 20 IIBD C[C@H](CNC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccccc1 744554916 YITIQIJFXZODRV-QZTJIDSGSA-N 439.512 4.050 5 20 IIBD C[C@H](OC(=O)[C@@H](Oc1ccccc1)c1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 744789267 BZKUJTDDMDVGRU-BTYIYWSLSA-N 438.411 4.424 5 20 IIBD O=C(OCc1nc(CCc2ccccc2)no1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 744894024 BWLLOUKGXHLMBR-UHFFFAOYSA-N 436.449 4.244 5 20 IIBD Cc1ccc(N2CCCC2)c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 745054324 XXNSRYGPXJBYME-CQSZACIVSA-N 431.876 4.341 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)[C@H](C)c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 745309473 QABDGCQQNVCWFF-GFCCVEGCSA-N 440.374 4.298 5 20 IIBD C[C@H](OC(=O)[C@@H]1C[C@@]12CCCc1ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 745715850 HGGOKXRWCPUSDR-YOKWENHESA-N 428.872 4.413 5 20 IIBD Cc1c(C(=O)OCc2cc(Cl)ccc2[N+](=O)[O-])sc2nc3n(c(=O)c12)CCCCC3 746056142 AGXHNJLOZUDMTP-UHFFFAOYSA-N 447.900 4.411 5 20 IIBD COc1ccc([C@@H](C)CC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 750539542 JJSBRNZCVKOBKH-LBPRGKRZSA-N 440.374 4.298 5 20 IIBD Cc1ccc(CNC(=O)c2nnc(/C(Cl)=C/c3cc(O)ccc3[N+](=O)[O-])s2)cc1 751205505 LZOQPGJFRLUCGF-DHDCSXOGSA-N 430.873 4.127 5 20 IIBD COC(=O)[C@H](OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)c1cccc(Cl)c1 751692683 RISMAKQEMFHVNC-CQSZACIVSA-N 446.612 4.221 5 20 IIBD CC(C)[C@H](OC(=O)c1c(F)ccc([N+](=O)[O-])c1F)C(=O)N1CCSc2ccccc21 752561318 GSGJVVCPPYFQAP-SFHVURJKSA-N 436.436 4.193 5 20 IIBD O=[N+]([O-])c1cccc(-c2ncn(CN3CCC[C@H](COc4ccccc4Cl)C3)n2)c1 753964743 UQWOLORSOPQVNV-INIZCTEOSA-N 427.892 4.255 5 20 IIBD Cc1c(C(=O)N[C@H]2CCOc3c2ccc(Cl)c3Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] 754471470 KEOPXAMCAJDILQ-ZDUSSCGKSA-N 426.212 4.372 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F 755063686 NSAULRVMSBABID-VXGBXAGGSA-N 438.839 4.378 5 20 IIBD C[C@@H]1CC(OC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)C[C@@H](C)O1 756036680 IRLOFSUNNIDHTE-HUUCEWRRSA-N 426.469 4.005 5 20 IIBD CCn1c(SCC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1cccc(C)c1 756994524 XVLTXNSOXROHEB-UHFFFAOYSA-N 445.932 4.244 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1ccccc1Oc1ccccc1 757272456 RYCOGXHKWMOPCA-UHFFFAOYSA-N 425.828 4.295 5 20 IIBD O=C(COC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1cnc(N2CCCCC2)s1 760000952 YUUQTQHXSGKXFZ-UHFFFAOYSA-N 431.495 4.296 5 20 IIBD Cc1ccc(C(=O)N2CCC[C@H](C(=O)OCc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)cc1 760495871 BJMDYMHUFKKOGW-IBGZPJMESA-N 449.463 4.154 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCCN1Cc1ccc(F)cc1 760530288 KFXAJCCZQMZOOO-FQEVSTJZSA-N 425.416 4.097 5 20 IIBD O=C(N[C@@H](c1ccccc1)C1CCCCC1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 766407301 HMYDBPJKUQQUCI-QHCPKHFHSA-N 435.480 4.300 5 20 IIBD CC[C@@H]1CCCC[C@H]1OCC(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 766809952 KJLUGXBZRKGLAY-PBFPGSCMSA-N 446.422 4.469 5 20 IIBD Cc1c(C(=O)N2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)nnn1-c1cccc([N+](=O)[O-])c1 767194067 ITSQZCKRLNVZSM-OAHLLOKOSA-N 445.401 4.132 5 20 IIBD CC(=O)[C@H](Cc1ccc(Cl)cc1F)OC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 768635059 BMAQPJDMQLDDLT-IBGZPJMESA-N 445.834 4.145 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H]1CCCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 769121538 NRICIJUOCQZQAM-ZDUSSCGKSA-N 428.327 4.094 5 20 IIBD O=C(c1nc(NCc2ccco2)ncc1Cl)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 769599220 IHKJAXCDDHNNOB-UHFFFAOYSA-N 427.848 4.048 5 20 IIBD Cc1cccc(NC(=O)c2ccccc2NC(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 775196443 ZMGUJXGNMRHUMA-KRWDZBQOSA-N 432.480 4.445 5 20 IIBD C[C@@H](OC(=O)c1cccc(Br)c1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 780129627 PVHVUIAJUQGRST-SECBINFHSA-N 427.638 4.195 5 20 IIBD Cc1cc(COC(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)ccc1[N+](=O)[O-] 781172143 UGLPBDOSGUCFPV-SFHVURJKSA-N 447.285 4.014 5 20 IIBD O=C(O[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 781259102 JAVHLSKUTZKNAJ-NRFANRHFSA-N 432.863 4.297 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(C(=O)N2CCCCCC2)cc1 781625764 IPAMEBBHNSUZDL-UHFFFAOYSA-N 440.456 4.091 5 20 IIBD O=C(c1cc2ccccc2s1)N1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 788852762 BIYAEXYXZCNWEG-UHFFFAOYSA-N 429.885 4.061 5 20 IIBD CC[C@H]1c2ccsc2CCN1C(=O)COc1cc(F)c(Br)cc1[N+](=O)[O-] 790295449 HBLHNNGMUJZTAE-ZDUSSCGKSA-N 443.294 4.473 5 20 IIBD Cc1ccc(-c2ccncc2)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 790391627 ZWVFVGUOFYYWPK-UHFFFAOYSA-N 442.453 4.291 5 20 IIBD C[C@@H](OC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H]1c1cccs1 790745950 PBBWSYUVNAQXQI-IAQYHMDHSA-N 440.880 4.287 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)CC2)CC1 791033140 LRINYLANKGYQGL-UHFFFAOYSA-N 449.573 4.327 5 20 IIBD COc1cc(COC(=O)[C@H]2CCC(=O)c3ccccc32)c([N+](=O)[O-])cc1OCC(F)F 792659966 OVNGVTCKQIIKMQ-HNNXBMFYSA-N 435.379 4.051 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 794752387 SKKFEJKVQQXMPJ-UHFFFAOYSA-N 425.363 4.009 5 20 IIBD O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)N(CC1CC1)c1ccccc1 795329546 GLYPHWVIRJDMRX-UHFFFAOYSA-N 429.267 4.102 5 20 IIBD C[C@H](OC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(N2CCCCC2)cc1 796438764 BITGCQYNZCUADP-KRWDZBQOSA-N 439.512 4.433 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)CCCC(=O)Nc1cc([N+](=O)[O-])ccc1CC 813292364 QEVZXVRRKXSZDS-UHFFFAOYSA-N 428.445 4.375 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 819990327 WTHYIKHANXDFTM-QGZVFWFLSA-N 443.504 4.232 5 20 IIBD O=C(COC(=O)c1cccn1Cc1ccccc1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 900462257 HJIGZKDOALGKLW-UHFFFAOYSA-N 447.369 4.259 5 20 IIBD O=C1OC(c2ccccc2OC(F)F)=N/C1=C/c1ccc(Br)c([N+](=O)[O-])c1 912760201 NWGREMDFUXDYDJ-KPKJPENVSA-N 439.168 4.303 5 20 IIBD O=C(COC(=O)COc1cccc([N+](=O)[O-])c1)Nc1c(Cl)cc(Cl)cc1Cl 914909903 RVHAEZUHCMYXNK-UHFFFAOYSA-N 433.631 4.116 5 20 IIBD O=C(OCc1ccccc1OC(F)F)c1cc([N+](=O)[O-])ccc1I 915491348 LZJWTMMDGUFELS-UHFFFAOYSA-N 449.147 4.158 5 20 IIBD CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)NC(=O)N1 916193561 OUIZCKRCOPPSIP-LJQANCHMSA-N 429.404 4.106 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2cccc(OCCN(C)C)c2)CC1 916404835 DSUFQKYDSBJYMS-UHFFFAOYSA-N 426.517 4.024 5 20 IIBD CN(Cc1cccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1)C(=O)OC(C)(C)C 917110848 GMVRQSWMYMWXKO-UHFFFAOYSA-N 430.417 4.122 5 20 IIBD O=C(OCc1nc(-c2cc(Br)cs2)no1)c1cc(Cl)ccc1[N+](=O)[O-] 917957299 FWLCGBHRPMTJDD-UHFFFAOYSA-N 444.650 4.479 5 20 IIBD O=C(OCC(F)(F)F)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 917996439 UPNPJAYZVUQBAL-UHFFFAOYSA-N 429.420 4.140 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)COc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] 919830057 FBEXWQKUHKNTFT-JTQLQIEISA-N 427.335 4.028 5 20 IIBD Cc1ccc(C)c2c(C)c(C(=O)N(C)S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)oc12 920109511 HHARVMBRGQUHEI-UHFFFAOYSA-N 436.873 4.381 5 20 IIBD O=[N+]([O-])c1ccccc1OCc1nnc(-c2csc(-c3ccc4c(c3)OCCO4)n2)o1 1118418624 VFTASOCKGXXKIN-UHFFFAOYSA-N 438.421 4.119 5 20 IIBD O=C(c1ccc(C2SCCS2)cc1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1317994070 KSIVYMAHJPVEGV-UHFFFAOYSA-N 429.567 4.031 5 20 IIBD O=C(CCOc1cc(Cl)ccc1Cl)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 1319687253 AERGRAUYFNBJQE-UHFFFAOYSA-N 438.223 4.464 5 20 IIBD COC(=O)[C@H](NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1ccc(OC)c(O)c1 1321869714 XCNSHWWUSSWRJX-HXUWFJFHSA-N 446.843 4.226 5 20 IIBD CC(C)n1ncc2c1[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])CCC2 1325529513 IKZYJTFGUFDSRJ-ZDUSSCGKSA-N 433.317 4.035 5 20 IIBD COc1ccc(-c2cc(NC(=O)COc3ccc(C=O)cc3[N+](=O)[O-])ccc2OC)cc1 1338768411 AELNLPWYAUCOGK-UHFFFAOYSA-N 436.420 4.109 5 20 IIBD O=C(c1cccs1)C1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 1340075113 QRVOQCKBANBGJX-UHFFFAOYSA-N 425.413 4.385 5 20 IIBD Cc1c([C@@H](C)N[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)cnn1C 1342349950 WGFDDXZUZOJZKI-ZUOKHONESA-N 427.892 4.321 5 20 IIBD C[C@H]1C[C@@]1(C)C(=O)NC1(c2ccc(NC(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2)CCC1 1790827671 MLYGWLFCMZSOCA-LFVRLGFBSA-N 447.495 4.265 5 20 IIBD Cc1cc(Cl)ccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])o1)C2 1792733866 FEMMDSVYFKPIBH-ORIYUZMUSA-N 443.887 4.115 5 20 IIBD Cc1cc(CCCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C(C)(C)C)c([N+](=O)[O-])cc1F 1795544629 MUFNCYVXDHOXFS-BCDXTJNWSA-N 433.524 4.049 5 20 IIBD C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 9532087 PZUZEXDQRFXSMR-SNVBAGLBSA-N 435.868 4.302 5 20 IIBD O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 10800988 CPKPWYUIUYJHDT-UHFFFAOYSA-N 426.391 4.312 5 20 IIBD Cc1cc(F)ccc1NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 15975901 UDGWOKAAROTXAP-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD CSc1ccc(C(=O)OCC(=O)Nc2ccc(N3CCCC3)cc2C)cc1[N+](=O)[O-] 19013579 UMSBAEVBUNNBIV-UHFFFAOYSA-N 429.498 4.021 5 20 IIBD CC[C@@H](Nc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-])c1ccc(OC)cc1 20669562 TZCWMXZCIASPCB-LJQANCHMSA-N 433.530 4.341 5 20 IIBD C[C@H](OC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)N1CCC[C@H]1c1cccs1 22243796 WODVQQOPKRKYNO-GUYCJALGSA-N 429.498 4.140 5 20 IIBD CC(C)(C)c1ccc(NC(=O)COC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 22564575 DHTGUEVKSXHWAF-UHFFFAOYSA-N 435.274 4.450 5 20 IIBD COc1ccccc1[C@H](C)NC(=O)[C@@H](C)OC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 26342611 ZAPNPWHYELUMHV-LSDHHAIUSA-N 428.485 4.324 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nnc(-c2cccc(Cl)c2)o1 26408574 XIRRLZDTUTZYFD-UHFFFAOYSA-N 434.861 4.428 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(C(=O)N(CC)CC)c(Cl)c2)cc([N+](=O)[O-])c1 27392557 NLUXVLURSPRXAH-UHFFFAOYSA-N 447.875 4.159 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 28492415 XUJXXMREOOKKJJ-UHFFFAOYSA-N 445.884 4.230 5 20 IIBD Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N[C@@H]2CCCC[C@@H]2C)n1 28809997 RYNVAALYQLNXJO-BLLLJJGKSA-N 449.554 4.363 5 20 IIBD Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1C 29410090 LVYVVESSZUCRFX-UHFFFAOYSA-N 446.459 4.262 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 46643819 IKQDWZVNOZCOHF-UHFFFAOYSA-N 425.485 4.420 5 20 IIBD COC(=O)c1ccoc1CSc1ccccc1C(=O)NCc1ccccc1[N+](=O)[O-] 58388310 IADYKOTWFMRYCO-UHFFFAOYSA-N 426.450 4.197 5 20 IIBD O=C(CSc1nnc(-c2cccs2)o1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 255931495 CCPSJXSSPKRCGI-UHFFFAOYSA-N 430.389 4.456 5 20 IIBD O=C(c1ccccc1)c1ccc(N2CCCN(C(=O)c3cccc(F)c3)CC2)c([N+](=O)[O-])c1 301096060 ZIYZPQHCPHERGS-UHFFFAOYSA-N 447.466 4.317 5 20 IIBD NS(=O)(=O)c1cc(NCc2ccc(Sc3ccc(F)cc3)cc2)cc([N+](=O)[O-])c1 301952412 HCALLDIANXTCPS-UHFFFAOYSA-N 433.486 4.145 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(c3ccnc4cc(Br)cnc34)CC2)cc1 302241021 NSFZCGLOXGTTRY-UHFFFAOYSA-N 429.274 4.348 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2ccnc(N3CCCCCC3)c2)cc1SC 410320326 ZBXUAFZZJRQMRS-UHFFFAOYSA-N 430.530 4.031 5 20 IIBD COc1cc(CNCCc2nc3c(C)cccc3o2)c([N+](=O)[O-])cc1OCC(F)(F)F 410355491 SZIWSDNGVQGXGR-UHFFFAOYSA-N 439.390 4.326 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 426184814 AKEYSTDCVHYJDE-DLBZAZTESA-N 445.344 4.221 5 20 IIBD O=C(O)[C@H](Cc1ccccc1[N+](=O)[O-])NCc1cc(Br)cc(C(F)(F)F)c1 426807023 FOHYGBDAEQBISC-AWEZNQCLSA-N 447.207 4.162 5 20 IIBD Cc1ccccc1-c1ccc(CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C(C)C)s1 426952414 ACNMRERGJKIGQB-UHFFFAOYSA-N 427.530 4.448 5 20 IIBD Cn1cc(CN(Cc2ccc(Cl)cc2)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cn1 431222504 LZTGQIMVKTVFBH-UHFFFAOYSA-N 439.903 4.399 5 20 IIBD Cc1nc(N2CCOCC2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 432873514 BFZLMFLRRQRVQU-UHFFFAOYSA-N 434.452 4.179 5 20 IIBD COc1ccc(-c2nnc(Sc3ncc(Cl)cc3[N+](=O)[O-])n2C[C@H]2CCCO2)cc1 434953105 YZMDDRZKIUPFBP-OAHLLOKOSA-N 447.904 4.241 5 20 IIBD CS[C@@H]1CCCCN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C1 435290734 RZDRPVWNAPAHNL-GFCCVEGCSA-N 429.329 4.445 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 435661146 BWIXETSARNEDRR-HXUWFJFHSA-N 429.860 4.029 5 20 IIBD O=C(NCc1ccc(OC(F)F)cc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 435828380 VQQJYOHSWMXTLY-UHFFFAOYSA-N 430.357 4.491 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCN(C/C=C/c2ccccc2)CC1 435833543 FTIZMYWJPWNVJR-RMKNXTFCSA-N 441.506 4.292 5 20 IIBD COc1ccccc1-c1noc([C@H](C)NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 437129419 GFFKAHIGXGLFOJ-STQMWFEESA-N 428.470 4.011 5 20 IIBD O=C(NCc1ccc(NC(=O)c2cccnc2)cc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437139978 ZHUYIOUAFLHSIN-UHFFFAOYSA-N 444.369 4.191 5 20 IIBD C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)[C@H](OC1CCOCC1)c1ccccc1 437312182 WOIPLCBXGFBTEN-ZHRRBRCNSA-N 430.526 4.129 5 20 IIBD C[C@H](c1ccncc1)N1CCC(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 439740758 PWOLSXHLSPEDLE-OAHLLOKOSA-N 437.525 4.069 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@H](c4nc(C(F)(F)F)cs4)C3)n2)c1 441100111 XYZOXYZKJDTFDX-LBPRGKRZSA-N 439.419 4.500 5 20 IIBD CC(C)NC(=O)c1ccc(NCc2cccc(COCC(F)(F)F)c2)c([N+](=O)[O-])c1 441966118 MADHITJZENIECT-UHFFFAOYSA-N 425.407 4.424 5 20 IIBD COc1ccccc1-c1noc([C@H](C)NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)n1 444135835 ZLVIKRWWZDEXKL-AWEZNQCLSA-N 440.459 4.231 5 20 IIBD CC(C)CN1CCC[C@H](CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 444254268 SBMLTFAUVZNQAM-OAHLLOKOSA-N 427.495 4.057 5 20 IIBD C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 444410874 NQLDBKAKCYDRLD-JLTOFOAXSA-N 426.860 4.036 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@H]3[C@@H]3CCCO3)n2CCc2ccccc2)c1 460411928 KKWONJHQUZLQQL-VXKWHMMOSA-N 433.512 4.244 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NCCc1ccccc1[N+](=O)[O-] 460493468 RNAIETGWMNRDFA-NSHDSACASA-N 427.682 4.137 5 20 IIBD COc1cccc(-c2nnc(N(C)CCc3cccc([N+](=O)[O-])c3)n2CC(C)C)c1OC 460754824 LDUUABPZFBAJBD-UHFFFAOYSA-N 439.516 4.205 5 20 IIBD Cc1c(CSC(C)C)cccc1NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 460834629 BIAKQBSAPYVQNQ-UHFFFAOYSA-N 438.527 4.117 5 20 IIBD Cc1ccc(CCN(Cc2ccco2)C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)cc1 461915824 GJSVTYCVHZNRQD-UHFFFAOYSA-N 445.479 4.270 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(-c2cccc(Cl)c2)nn1CCO 462498044 DSAAVOKAVOMYHW-MRXNPFEDSA-N 442.903 4.311 5 20 IIBD COc1cc(CSc2nc3cc4ccccc4cc3c(=O)n2C)c([N+](=O)[O-])cc1F 463407273 TWRQVJKECUULES-UHFFFAOYSA-N 425.441 4.435 5 20 IIBD CC[C@@H](NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1nc(C(F)(F)F)cs1 465264185 HTWRUDKZJCKOIF-LLVKDONJSA-N 426.376 4.205 5 20 IIBD C[C@@H](CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Oc1cccc(Cl)c1 466195791 HVBAQHSEDYOEGC-HNNXBMFYSA-N 433.892 4.269 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCN(C)CC23CCCCC3)cc1[N+](=O)[O-])c1ccccn1 467465509 IGQDJVSGPVEGBS-SFHVURJKSA-N 437.544 4.253 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1c1cccc2ccccc12 469189403 UYKWPIINGCRBGH-FQEVSTJZSA-N 440.477 4.060 5 20 IIBD CC(C)C[C@@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 469453810 CQVJUAKVCFRQKC-QGZVFWFLSA-N 443.887 4.419 5 20 IIBD CC(C)c1nccn1Cc1cccc(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 470623456 WLBVHUBEXCJKOA-UHFFFAOYSA-N 435.484 4.258 5 20 IIBD CCOc1cc(C(=O)N(C)Cc2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])cc1OC 470713236 JFMBBLHADVSOOQ-UHFFFAOYSA-N 428.363 4.173 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cc(F)c(F)cc1I 471092163 GVALCVCZHUKAJG-UHFFFAOYSA-N 432.164 4.347 5 20 IIBD O=C(Nc1ccc(OCc2ccccn2)c(F)c1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 472193878 ACYDZRUZDWNINM-UHFFFAOYSA-N 434.383 4.214 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1 474351617 LSGYWNWNPURVHK-SFHVURJKSA-N 448.451 4.179 5 20 IIBD CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)[C@H]1c1ccccc1OC 475303325 HPKBGCHLAXFYKX-VGOFRKELSA-N 440.500 4.025 5 20 IIBD COc1ccc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)c(OCCOC(C)C)c1 475952345 BLIQLBBRHZMPKA-QFIPXVFZSA-N 446.525 4.295 5 20 IIBD O=C(c1ccc(N[C@@H]2CC=C(c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1)N1CCOCC1 477059096 LUBFAZIEXLEPEE-HXUWFJFHSA-N 425.460 4.254 5 20 IIBD CCc1c(NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)cnn1-c1cccc(Cl)c1 482686633 ILLUMBVJHJHMGA-UHFFFAOYSA-N 430.848 4.266 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1OC 484706603 SQAULXBUOKZHLG-UHFFFAOYSA-N 434.861 4.426 5 20 IIBD CC(C)(C)Oc1cc(N2CCC(C(=O)NCCc3cccs3)CC2)ccc1[N+](=O)[O-] 484775125 JMUKOJHRPZDCTH-UHFFFAOYSA-N 431.558 4.409 5 20 IIBD COc1cc(C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CCC3)cc([N+](=O)[O-])c1OC 485898608 QNFDLXWBLPUELF-UHFFFAOYSA-N 442.859 4.192 5 20 IIBD CC[C@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cc(F)cc(Br)c1 485926987 RPFFYODLZREVRY-INIZCTEOSA-N 431.283 4.067 5 20 IIBD C[C@@H](NC(=O)c1ccccc1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1 486530100 JBAYZCRIBLFVCT-QGZVFWFLSA-N 444.491 4.087 5 20 IIBD CCCCOc1cc(OCCC)ccc1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 487056562 CXUWDDTTYUIGCF-UHFFFAOYSA-N 430.505 4.236 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(c3nc(-c4ccccc4Br)no3)CC2)nc1 487134401 HHPIVLFOYLIZEZ-UHFFFAOYSA-N 430.262 4.186 5 20 IIBD O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1cc([N+](=O)[O-])ccc1OC(F)F 489344347 IMRVPELSQRJZHO-UHFFFAOYSA-N 435.364 4.301 5 20 IIBD O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H](c1ccc(Cl)cc1)c1ccccc1Cl 490342413 JUAKDMKSJOEYDG-GOSISDBHSA-N 434.283 4.187 5 20 IIBD Cc1cc(=O)c(C(=O)Nc2ccc(Oc3ccccc3)cc2)nn1-c1ccccc1[N+](=O)[O-] 492128801 SIXZXLDIUVXTPE-UHFFFAOYSA-N 442.431 4.494 5 20 IIBD Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)C2)c1 493082986 VTRBOILIODZWMB-FQEVSTJZSA-N 435.524 4.255 5 20 IIBD COc1cc(CN[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC(F)F 494497923 YEOKCECJDRQEKC-RDTXWAMCSA-N 428.819 4.478 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 494525368 GLMNSXZHLDZEGI-GFCCVEGCSA-N 425.268 4.498 5 20 IIBD C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 500648915 UOIRKZOBOLWNNI-OAHLLOKOSA-N 449.488 4.042 5 20 IIBD CC(=O)Nc1c[nH]nc1[C@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 501736924 SSJDPOKNAFQVHA-HNNXBMFYSA-N 425.514 4.384 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCNC(C)(C)COc1ncccc1C(F)(F)F 502245279 AXOSZWGMPQAAOV-UHFFFAOYSA-N 440.422 4.093 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(Br)cc2Cl)cc1OC 502532470 VGQYGGUIUJQIMC-UHFFFAOYSA-N 443.681 4.348 5 20 IIBD CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1cc(-c3cccc([N+](=O)[O-])c3)[nH]n1)O[C@@H](C)C2 502970946 QWWNSNJOTFKILQ-SOVGHPHASA-N 448.479 4.449 5 20 IIBD O=C(c1ccc(Br)cc1Br)N1CCc2c1cccc2[N+](=O)[O-] 511088305 FRRIXFJNYLCNPM-UHFFFAOYSA-N 426.064 4.323 5 20 IIBD C[C@@H](c1ccccc1Cl)N(C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 512054977 BFFPGFBENMLMMV-LBPRGKRZSA-N 433.917 4.191 5 20 IIBD COc1cc(CCNC(=O)c2cc3cc(Br)ccc3o2)c([N+](=O)[O-])cc1OC 512228095 KHZRUUVDCAZZIN-UHFFFAOYSA-N 449.257 4.093 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@@](O)(C(F)(F)F)CC2)cc1OC 512566551 XTMFNXYOWCZRNM-KUHUBIRLSA-N 434.455 4.308 5 20 IIBD Cc1ccc(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1S(=O)(=O)NC1CC1 512588430 WWQSMHIILRPENZ-UHFFFAOYSA-N 427.482 4.216 5 20 IIBD CN(Cc1ccccc1NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C1CCCCC1 513331972 LJANRKQPBRGOTE-UHFFFAOYSA-N 445.541 4.015 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@H](OCc3ccncc3)C2)c([N+](=O)[O-])c1 514662505 CAXVJEUFNRKUAM-XUZZJYLKSA-N 446.507 4.269 5 20 IIBD Cc1cc(CN(C)C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc(C)c1OCC(F)(F)F 515728886 IPWLTUBJTWVZBX-UHFFFAOYSA-N 440.374 4.154 5 20 IIBD COc1cc(C(=O)N[C@H](c2ccccc2)c2ccncc2)c([N+](=O)[O-])cc1OC(F)F 520507643 DBEAEWMPEDNYFI-LJQANCHMSA-N 429.379 4.119 5 20 IIBD O=C(NC1(c2ccc(Br)cc2)CCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 520682542 ZKWPBAPGDUAULZ-UHFFFAOYSA-N 441.285 4.352 5 20 IIBD COc1ccc(-c2ccc(CNC[C@H](c3ccccc3)N3CCOCC3)o2)c([N+](=O)[O-])c1 520934721 OGEDMAMYBIDUKC-HSZRJFAPSA-N 437.496 4.027 5 20 IIBD COc1ccc(-c2ccc(CNCc3ccc(OC)c(OC)c3OC)o2)c([N+](=O)[O-])c1 520955726 MYTHNZASZNBHTP-UHFFFAOYSA-N 428.441 4.179 5 20 IIBD COC(=O)[C@@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])C1CCCCC1 521240791 WSNRKWITGRCTNZ-NRFANRHFSA-N 426.469 4.026 5 20 IIBD COC[C@@H]1CCN(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)C1 525324658 UOPGRUZCCDODEE-CQSZACIVSA-N 437.855 4.358 5 20 IIBD CC(C)[C@H](NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1Cl 525394569 WCDBHJXEURNIMQ-FQEVSTJZSA-N 444.919 4.113 5 20 IIBD CN(Cc1cccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1)Cc1cscn1 535397483 XTGUJGWDVSBETK-UHFFFAOYSA-N 435.509 4.346 5 20 IIBD CCC[C@H](NCc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 536879484 XJTMGQFMHGCCJE-BSRJHKFKSA-N 425.529 4.475 5 20 IIBD CCCN1C(=O)CCc2cc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)ccc21 536938316 GYVBDYGLXUPXKE-UHFFFAOYSA-N 436.512 4.139 5 20 IIBD Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 537358923 RGCFXCJGTRYVJQ-SFHVURJKSA-N 438.528 4.371 5 20 IIBD CC(C)Oc1cccc([C@@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1 538126428 UUDWRYUOSWJNRL-CYBMUJFWSA-N 436.306 4.434 5 20 IIBD O=C(Nc1nccc2sccc12)c1cc(I)cc([N+](=O)[O-])c1 542462126 GJVISGFSFUDTIW-UHFFFAOYSA-N 425.207 4.061 5 20 IIBD CCc1ccc([C@@H](NCc2cccc(OCC(=O)N(C)C)c2)c2ccc([N+](=O)[O-])cc2)o1 543407502 ZVFUZJHETFBIBH-DEOSSOPVSA-N 437.496 4.096 5 20 IIBD COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F 543456500 KIQBNKHAPGTEIQ-CQSZACIVSA-N 431.464 4.100 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1nc(-c2ccccc2)cs1 543520309 YIGBUIZUVNFMEX-AWEZNQCLSA-N 426.498 4.406 5 20 IIBD C[C@H](CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)c1nccs1 543576381 QEQYGFLTOLXHSE-LLVKDONJSA-N 448.551 4.122 5 20 IIBD CS(=O)(=O)c1ccc(-c2csc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])n2)cc1 544049727 AWGVKLFQTXMTAS-UHFFFAOYSA-N 437.886 4.028 5 20 IIBD Cc1nn(Cc2ccc(-c3nc(Cc4ccc(F)cc4F)no3)cc2)c(C)c1[N+](=O)[O-] 544951370 ZJGQOXKTGAKQNF-UHFFFAOYSA-N 425.395 4.375 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(Cc3cc(Br)cnc3O)no2)cc(C(F)(F)F)c1 545759156 WGMPSWSLNDVLMV-UHFFFAOYSA-N 445.151 4.118 5 20 IIBD CN1CCN(c2ccccc2-c2noc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2)CC1 546428299 LCYMONSGGZQZMP-UHFFFAOYSA-N 433.390 4.082 5 20 IIBD Cc1nnc(-c2ccc(-c3nc(Cc4ccc([N+](=O)[O-])cc4Br)no3)cc2)o1 546466940 XQEOBECVAZSDAR-UHFFFAOYSA-N 442.229 4.357 5 20 IIBD O=[N+]([O-])c1ccc2sc(-c3nc(Cc4cc(Br)cnc4O)no3)cc2c1 546468167 XJVCPSUFKFSEPA-UHFFFAOYSA-N 433.243 4.313 5 20 IIBD COCc1nc(OC)c2c(C)c(-c3nc(Cc4cccc([N+](=O)[O-])c4C)no3)sc2n1 546495363 ZEOVTLWZJVXINQ-UHFFFAOYSA-N 441.469 4.012 5 20 IIBD CN1CCCN(c2ccc(-c3noc(COc4ccc([N+](=O)[O-])cc4)n3)cc2Cl)CC1 547188501 QZXUBKVUJOADNN-UHFFFAOYSA-N 443.891 4.019 5 20 IIBD CCOCCCn1c(-c2cccc3cccnc23)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 549758111 LPWUVSXOTSCGGX-UHFFFAOYSA-N 446.511 4.465 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)Cc1cc(Br)cn1C 550271530 SHNHNWOHXAMZPP-UHFFFAOYSA-N 445.111 4.039 5 20 IIBD CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 550794284 NWPKUKRXMVVENB-PIGZYNQJSA-N 425.254 4.311 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3C[C@@H](N4CCCC4)C[C@H]3C)cc2[N+](=O)[O-])n1 553168786 VABZZQIDNYXPTA-ZBFHGGJFSA-N 432.571 4.210 5 20 IIBD Cc1ccc(Cc2ccccn2)cc1NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 555272242 HFIYUGCALAKHRU-UHFFFAOYSA-N 444.491 4.019 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(C)cc1Oc1ccc(S(=O)(=O)c2ccccc2)cc1 557509550 BKNFFYVDKDPXQZ-UHFFFAOYSA-N 427.434 4.315 5 20 IIBD Cc1ccc(-c2nc(CNCc3cc(I)cc([N+](=O)[O-])c3)co2)cc1 558485537 DHEUVPXTSOADMI-UHFFFAOYSA-N 449.248 4.453 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[C@@H](C)c1cccc(C(F)(F)F)c1 566389781 KISJGBYKHCICRY-CYBMUJFWSA-N 437.418 4.425 5 20 IIBD O=C(NCCn1cc([N+](=O)[O-])cn1)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CC2 567443896 XZULZVUBRYLJHR-NTCAYCPXSA-N 445.504 4.318 5 20 IIBD CCOC(=O)[C@H](c1ccc(Cl)cc1)N(C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)C1CC1 573041261 RVSQZUGODXWYOR-NRFANRHFSA-N 446.887 4.095 5 20 IIBD CC(C)(C)Oc1cccc(CNCc2cc(I)cc([N+](=O)[O-])c2)n1 575167627 KSOGGQXUOIVZNU-UHFFFAOYSA-N 441.269 4.062 5 20 IIBD O=C1C[C@@H](c2noc(-c3ccc4[nH]c5ccccc5c(=O)c4c3)n2)CN1Cc1ccccc1 575904689 LBNFKLCAODPRMU-GOSISDBHSA-N 436.471 4.247 5 20 IIBD COc1cc([C@@H](NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C(F)(F)F)cc(OC)c1OC 581585259 UOLYPNQAQAVPHV-BBATYDOGSA-N 442.390 4.144 5 20 IIBD C[C@@H](Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F)c1ccc(NC(=O)C2CC2)cc1 589104971 IJKPXYYFYDSFSI-CQSZACIVSA-N 428.464 4.092 5 20 IIBD C[C@@H]1CCCN(S(=O)(=O)c2ccc(CNc3ccc4ncccc4c3[N+](=O)[O-])cc2)C1 603868190 DYMVHXPYVWQUHX-MRXNPFEDSA-N 440.525 4.176 5 20 IIBD COc1cc(CCNC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])cc1OC 604124738 NHFDVMLSJMNQPM-UHFFFAOYSA-N 442.299 4.303 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N1CCc2n[nH]cc2C1 604481739 ZLIKYEGRDOWWAG-WJDWOHSUSA-N 445.504 4.443 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)c1 608866494 SEJDSPBAUARXNQ-MRXNPFEDSA-N 442.541 4.299 5 20 IIBD NC(=O)CC[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 608905077 HQFPXXFWPNTNKB-CQSZACIVSA-N 431.876 4.158 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 609186420 NITKKAQKTBORBV-LLVKDONJSA-N 443.456 4.428 5 20 IIBD Cc1ccc(CCNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cn1 609531518 WKWZLYHHKXBPLE-UHFFFAOYSA-N 441.491 4.052 5 20 IIBD C[C@H]1CO[C@H](c2ccccc2Cl)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 609545802 RTKCUOSOYFTKKJ-ZBEGNZNMSA-N 431.297 4.052 5 20 IIBD C[C@@H](C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)S(=O)(=O)c1ccc(F)cc1 609756192 ZXXZFKOUDHDRIQ-AWEZNQCLSA-N 444.440 4.327 5 20 IIBD O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 609793899 YKZHSXFIKVECSO-UHFFFAOYSA-N 440.805 4.330 5 20 IIBD O=C([C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 609841654 XCAOLQVAHGCJHV-KBAYOESNSA-N 449.536 4.362 5 20 IIBD Cc1c(C(=O)N2CCc3c2cccc3[N+](=O)[O-])nnn1-c1ccc(-c2ccccc2)cc1 609973801 KTPOIAKDIJYGGJ-UHFFFAOYSA-N 425.448 4.354 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 610595757 JCRXLNRABVZVPG-KBPBESRZSA-N 427.345 4.300 5 20 IIBD Cn1ccnc1[C@H](NC[C@H](c1ccccc1Cl)N1CCCC1)c1cccc([N+](=O)[O-])c1 611560212 AEJKMXBALCJYHG-FGZHOGPDSA-N 439.947 4.498 5 20 IIBD Cn1ccnc1[C@@H](N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1ccc([N+](=O)[O-])cc1 611560963 VOXLFXVBDTZMGV-PXNSSMCTSA-N 445.445 4.305 5 20 IIBD Cc1ccc(CNC(=O)c2cccc(CNc3ncnc4ccc([N+](=O)[O-])cc34)c2)cc1 611701770 PYXZZBHFINUYGE-UHFFFAOYSA-N 427.464 4.389 5 20 IIBD CCCOc1cc(NC(=O)N2CCC([C@@H]3CCOC3)CC2)c([N+](=O)[O-])cc1OCCC 612294971 IDMPQARUBVCISM-QGZVFWFLSA-N 435.521 4.453 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccccc1CN(C)C1CCCCC1 619474766 CKHYHPLBBVDALI-UHFFFAOYSA-N 433.530 4.169 5 20 IIBD CC[C@H](CO)NCc1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1 725841578 ORYXSIHJFKOEGF-GFCCVEGCSA-N 434.499 4.124 5 20 IIBD O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 726193525 NOBQYHWKROLXBR-UHFFFAOYSA-N 436.409 4.269 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 727325046 KYZMOIFABZNOOG-UHFFFAOYSA-N 440.500 4.060 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2cc(Cl)ccc2F)cc1SC 728656419 IZSJVMIZSHEZOX-SECBINFHSA-N 442.852 4.302 5 20 IIBD CC(NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)(c1ccccc1)c1ccccc1 728850979 XWNRNZSDCUODDA-UHFFFAOYSA-N 431.492 4.125 5 20 IIBD CCCCN1C(=O)C[C@H](C(=O)OCc2c(F)cccc2[N+](=O)[O-])[C@H]1c1ccc(OC)cc1 728988668 URWBXPMPCOQUOX-HTAPYJJXSA-N 444.459 4.176 5 20 IIBD O=C(c1c(Cl)cccc1Cl)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 731209592 UQPDMOBUBZZLRV-UHFFFAOYSA-N 437.308 4.474 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCCCC1 732018200 HYEKOIHINYONNY-MRXNPFEDSA-N 425.913 4.452 5 20 IIBD O=C(CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)Nc1ccc(Br)cc1 733324800 CYWKEEZASZFEPB-UHFFFAOYSA-N 447.314 4.209 5 20 IIBD Cc1c(C(=O)O[C@H](C(=O)c2ccccc2)c2ccccc2)nnn1-c1cccc([N+](=O)[O-])c1 733515032 YROMCLVWFHAEAU-QHCPKHFHSA-N 442.431 4.265 5 20 IIBD CC(C)(C)c1ccc([C@H](O)CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])cc1 734833993 VNUSIFSGFKANHQ-QGZVFWFLSA-N 428.457 4.034 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)C1CCN(C(=O)CCc2ccccc2)CC1 735644556 ZSDNPSTXRVRAEX-UHFFFAOYSA-N 430.888 4.333 5 20 IIBD CC(=O)N1CCCCC[C@@H]1C1CCN(Cn2c(=S)oc3ccc([N+](=O)[O-])cc32)CC1 738224195 ZCUPBYCLWCXIAK-GOSISDBHSA-N 432.546 4.333 5 20 IIBD COc1cc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c(SC)cc1OC 741231145 ASTZDIURXZRZTN-UHFFFAOYSA-N 445.541 4.206 5 20 IIBD COc1ccc(C(=O)OCc2ncc(-c3ccccc3Br)o2)cc1[N+](=O)[O-] 744494018 RLQAWCZOZOAOAJ-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)O[C@H](C)C(=O)NCCC(C)C)n1 744500199 JTYANEUJXLMBIC-CYBMUJFWSA-N 437.543 4.219 5 20 IIBD Cc1nn(CCC(=O)O[C@@H](C)C(=O)c2ccc(Oc3ccccc3)cc2)c(C)c1[N+](=O)[O-] 744922376 ZSEWHNCZLANJEP-KRWDZBQOSA-N 437.452 4.405 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)c1 745391691 PPADHKZRGFAGTD-HSZRJFAPSA-N 436.439 4.447 5 20 IIBD C[C@@H](OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1nnc(-c2cccc(Cl)c2)o1 746102093 ZDHPFUBXKOSVOP-GFCCVEGCSA-N 439.815 4.402 5 20 IIBD C[C@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)Nc1ccc(F)cc1F 747960926 AEAKCPLQUGXFAQ-JTQLQIEISA-N 433.392 4.181 5 20 IIBD Cc1ccc([C@H](C)NC(=O)COC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1C 750964923 NUIWCYZLKPGZSC-ZDUSSCGKSA-N 435.274 4.008 5 20 IIBD CCOC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)ccc1Cl 751095852 NXWXWLCYZUSHMI-UHFFFAOYSA-N 427.638 4.440 5 20 IIBD CCCNC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1Cl 751102789 GVRVEMFJPCPCML-UHFFFAOYSA-N 440.681 4.403 5 20 IIBD COCCc1noc(-c2cc(Cl)ccc2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 753275497 ZQPKLKWIMJMCQX-UHFFFAOYSA-N 437.239 4.393 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC[C@@H](C4(C)OCCO4)C3)cc2[N+](=O)[O-])n1 753334518 NRBKWNNSCYKNMU-OAHLLOKOSA-N 449.554 4.126 5 20 IIBD COc1cccc([C@@H](OC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)(C)C)c1 754549621 BWLAWINQFDTMII-LJQANCHMSA-N 432.498 4.125 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC[C@H]1Cc1ccc(F)cc1 754994538 RYGYIYXKAMAZDO-AWEZNQCLSA-N 425.229 4.483 5 20 IIBD CCCCN(C)CC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 755010121 ZDCUNRGKPOCCDU-UHFFFAOYSA-N 430.318 4.081 5 20 IIBD C[C@H](OC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)N(C)Cc1nc2ccccc2s1 755068799 XMAUCMATRHADLU-OLZOCXBDSA-N 445.472 4.037 5 20 IIBD CC(C)(C)OC(=O)Nc1ccccc1CC(=O)O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 756570349 BTJKSEAQRFBYEM-ZWKOTPCHSA-N 444.488 4.408 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 758498240 JBVJUHNFFYMMRI-QWHCGFSZSA-N 426.901 4.405 5 20 IIBD CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 758738890 KEGQBKIEINWGDU-CYBMUJFWSA-N 449.419 4.138 5 20 IIBD Cc1n[nH]c(C)c1[C@@H](C)CC(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 759815698 ONSHGJLJRARZLA-CABZTGNLSA-N 442.394 4.018 5 20 IIBD O=C(c1cccc([C@H]2CCOC2)c1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 761419234 XLAIXVXDMMOWNG-KRWDZBQOSA-N 449.429 4.080 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H]1CC[C@H]2SCCS[C@@H]12 762682916 TXZCTRJDKUXSQX-YVLXSGLVSA-N 438.518 4.202 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1[N+](=O)[O-] 763894611 MGLIVNYCFNILRA-IBGZPJMESA-N 439.468 4.255 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OCCc2c(C)nn(C)c2C)cc1 773000743 KCCDYPVDAGIFOA-UHFFFAOYSA-N 425.441 4.146 5 20 IIBD C[C@@H](OC(=O)c1sc(Br)cc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1 773597684 JPWIUQKFJDULSI-SSDOTTSWSA-N 433.667 4.256 5 20 IIBD Cc1ccc(-n2cnnc2SCC(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)cc1Cl 773985425 KOSDLWJNDAAFPN-UHFFFAOYSA-N 443.916 4.127 5 20 IIBD O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc(C(F)(F)F)cc1Cl 775102804 CFGSYOHYPXDQTQ-UHFFFAOYSA-N 444.749 4.422 5 20 IIBD Cc1nc(-c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)cc2Cl)n[nH]1 775942015 NMXHBYLYWGYCTA-UHFFFAOYSA-N 426.864 4.194 5 20 IIBD Cc1cc(N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 778599738 YXPFSPOTTBNFAF-DOTOQJQBSA-N 427.505 4.100 5 20 IIBD O=C(Nc1ccccc1C(=O)NCC(F)(F)F)c1ccc2[nH]c3ccccc3c(=O)c2c1 780300388 JIDHJRSLRDIDKP-UHFFFAOYSA-N 439.393 4.226 5 20 IIBD O=C(O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1csc(Cc2cccc(F)c2)n1 780435661 DRXIBKDPZINKMJ-SJORKVTESA-N 430.461 4.318 5 20 IIBD O=C(COC(=O)c1c(F)ccc(Br)c1F)Nc1ccc([N+](=O)[O-])cc1Cl 785198870 PQJGEUCVCQQYBG-UHFFFAOYSA-N 449.591 4.084 5 20 IIBD Cc1cnc(COC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)c(C)c1[N+](=O)[O-] 789442772 KZXQMQPUGZHCKD-QGZVFWFLSA-N 433.892 4.148 5 20 IIBD CN(CCc1ccc(Br)cc1)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790663385 GKTYDYUVVPTJAF-UHFFFAOYSA-N 429.673 4.393 5 20 IIBD O=C(Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2)c1cc(Cl)ccc1[N+](=O)[O-] 791224676 NLONBXPUFUGRQP-UHFFFAOYSA-N 427.816 4.204 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Oc2ccccc2CNC(=O)OC(C)(C)C)c1[N+](=O)[O-] 795985757 RYXFFNXWTQTHEM-UHFFFAOYSA-N 436.486 4.004 5 20 IIBD C[C@@H](OC(=O)[C@H]1CCC(F)(F)C1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 796382730 WPSFLSGSFJIQMU-PWSUYJOCSA-N 425.413 4.024 5 20 IIBD O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O 798176662 NPJICJUOQPNULS-UHFFFAOYSA-N 448.773 4.206 5 20 IIBD CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H](c2ccncc2)C1 800663694 VVANGIPUXMFHED-SFHVURJKSA-N 446.891 4.077 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(I)c1)c1cccc(Cl)c1[N+](=O)[O-] 801700449 XZRHFJYJTJALGD-UHFFFAOYSA-N 447.572 4.013 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1 801897453 GAHARSJNWJXPSO-QLJPJBMISA-N 444.337 4.203 5 20 IIBD COC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)OC(=O)c1cc([N+](=O)[O-])cc(C)c1F 803457530 NKVPIASJGUVLNN-OAHLLOKOSA-N 429.322 4.002 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cnn(-c2ccc(C(F)(F)F)cc2)c1 803873142 UYPCXCXQZHIDPO-UHFFFAOYSA-N 436.302 4.065 5 20 IIBD C[C@H](NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)c1nc2ccccc2[nH]1 806324281 LQKRAMWRFAHONJ-NSHDSACASA-N 444.289 4.063 5 20 IIBD COc1ccc([C@@H](C)Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])c(C)c1OC 808099401 NCCQPFSMGHCYSG-LLVKDONJSA-N 430.429 4.090 5 20 IIBD CN(c1cccc(OC(F)(F)F)c1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F 809814956 ISRKOVZWMAHDKI-UHFFFAOYSA-N 428.747 4.111 5 20 IIBD C[C@H](C(=O)N1CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccc([N+](=O)[O-])cc1F 810948139 YUPFKLZQWJVENN-RDJZCZTQSA-N 449.523 4.333 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 813244522 GECKSNVFSZGSLJ-LBPRGKRZSA-N 441.793 4.254 5 20 IIBD CCc1ccc(N(C(C)=O)c2nc(COC(=O)c3ccc([N+](=O)[O-])cc3N)cs2)cc1 817988424 PFLSVEWYRPEKBN-UHFFFAOYSA-N 440.481 4.238 5 20 IIBD CC(C)[C@@H](OC(=O)CCNc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc2ncccc12 878493755 ALYCVAPNTSAUPW-JOCHJYFZSA-N 436.468 4.152 5 20 IIBD Cn1c(C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Cl)c1Cl 914614902 XSXVTDRVJIXDGK-UHFFFAOYSA-N 440.161 4.054 5 20 IIBD COc1cccc(OC)c1Oc1ccc(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cn1 917722397 KENNNOGWOPIVPC-UHFFFAOYSA-N 443.843 4.383 5 20 IIBD CC1=C(C(=O)N(C)C)[C@@H](c2ccc([N+](=O)[O-])o2)NC(=S)N1c1cccc(C(C)C)c1 918132072 VFCYVEVXQISJLT-LJQANCHMSA-N 428.514 4.109 5 20 IIBD O=C(OCc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 919089054 WPXXZGLOZZLBMR-QGZVFWFLSA-N 441.242 4.389 5 20 IIBD O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1cn(Cc2ccccc2)nc1-c1cccnc1 921148319 UONSLNVHRYTSHP-UHFFFAOYSA-N 432.411 4.398 5 20 IIBD Nc1c(C(=O)N(Cc2ccc(F)cc2F)C2CC2)cc(Br)cc1[N+](=O)[O-] 1116935138 QFDKMGQYHHEGEE-UHFFFAOYSA-N 426.217 4.023 5 20 IIBD COC(=O)c1ccc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c(C)c1 1318649883 VGFMSYXDTSWBNX-UHFFFAOYSA-N 449.250 4.435 5 20 IIBD COc1cc(CCNC(=O)N2C[C@H]3CCCC[C@]32c2ccccc2)c([N+](=O)[O-])cc1OC 1323426737 GPRCFUTUIHAMFL-DVECYGJZSA-N 439.512 4.265 5 20 IIBD COc1ccc(NC(=O)c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc1[N+](=O)[O-] 1338538220 YALMEZOQZXMUIO-UHFFFAOYSA-N 427.457 4.149 5 20 IIBD CC[C@@H](C)[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccccc1 1799478002 PHUMEFQEJPVQBG-LNBCOLIQSA-N 438.528 4.005 5 20 IIBD Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c(F)ccc([N+](=O)[O-])c2C)C3)c(C)c1 1799598381 TWXQAIMAQADAFP-BCDXTJNWSA-N 439.487 4.225 5 20 IIBD C[C@@H]1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1823679256 JLVBDQWHUULXDS-LEOXJPRUSA-N 441.572 4.193 5 20 IIBD CCc1ccc(-c2csc(NC(=O)CNC(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)s1 9941555 YAWQJMWBYDDYFL-UHFFFAOYSA-N 430.511 4.019 5 20 IIBD CC(C)CCn1c(S[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nc2ccccc2c1=O 11207969 NLAAHMVJDXHGLK-OAHLLOKOSA-N 440.525 4.470 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1OC 11215652 ZBROXYUAGRJSRS-UHFFFAOYSA-N 425.397 4.100 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 15411121 VNZKRKQNWUWCNF-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD C[C@H](OC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C(=O)NCc1cccs1 16748840 BXETYNUBNDIWCJ-HNNXBMFYSA-N 439.493 4.130 5 20 IIBD CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 16778388 RXXCTLTXKGCXBD-AWEZNQCLSA-N 429.527 4.086 5 20 IIBD CSCC[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)OCc1ccccc1C 29368176 RFVGEUHMWCVIKM-KRWDZBQOSA-N 436.917 4.152 5 20 IIBD O=C(NCc1cccc(COCc2ccco2)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 32249047 ORVCOXXIBLHBRI-UHFFFAOYSA-N 432.436 4.020 5 20 IIBD COc1ccc(OCC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)c([N+](=O)[O-])c1 32864095 DGFWEKDUHJBKDS-INIZCTEOSA-N 427.438 4.015 5 20 IIBD C[C@@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)Nc1cccc([N+](=O)[O-])c1 36796044 KTRJVFRSTHNFIU-MRVPVSSYSA-N 445.810 4.429 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(CN3CCC(C)CC3)cc2)cc([N+](=O)[O-])c1 60847375 DTQUCGGAPJQJFY-UHFFFAOYSA-N 425.485 4.256 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CC(=O)N(CCc1ccccc1)c1nc(-c2ccccc2)cs1 116043633 PCJPVFVPUOSOEW-UHFFFAOYSA-N 447.520 4.499 5 20 IIBD Cc1ccc([C@H](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)N2CCCC2)o1 116593232 OVQWBDDVBZLBHC-QHCPKHFHSA-N 429.520 4.009 5 20 IIBD CC(=O)c1ccc(Cl)c(Cl)c1OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 261420161 GXAOJXWEGYNVEV-UHFFFAOYSA-N 425.224 4.481 5 20 IIBD C[C@H]1C[C@@H](C)CN(Cc2ccccc2CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 301069642 DCJPTYGFQCFOLT-CALCHBBNSA-N 431.558 4.088 5 20 IIBD CC(C)NC(=O)c1ccc(N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c([N+](=O)[O-])c1 301736149 VCBWNKBUAHBEAW-MRXNPFEDSA-N 428.558 4.452 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc3cc(Br)cnc23)c(Cl)c1 392755784 BLEBMCRERWIXJM-UHFFFAOYSA-N 442.678 4.360 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCCC1 426222751 ODQPQDCAVUMUTA-JOCHJYFZSA-N 438.528 4.115 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(CCc1ccccc1)[C@@H]1CCOC1 426270546 IZWDCEVIYUBDOX-GOSISDBHSA-N 437.418 4.157 5 20 IIBD COC[C@@H](C)n1ccc(NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])n1 426389087 CRDQRMCUHDUSCA-CYBMUJFWSA-N 446.916 5.056 5 20 IIBD CC[C@@]1(O)CCN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C1 428741006 OGIQZFRMTBZWCQ-HXUWFJFHSA-N 429.523 4.343 5 20 IIBD CCN([C@H](c1cccnc1)c1ccc(F)cc1F)S(=O)(=O)c1cccc([N+](=O)[O-])c1C 431912825 KQDMQRDJMNBUIM-OAQYLSRUSA-N 447.463 4.377 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)NC1(Cc2ccc(F)cc2)CCOCC1 432914462 RZSSHEORDXOJNI-UHFFFAOYSA-N 439.390 4.249 5 20 IIBD O=C(NCCNc1ncc(Cl)cc1Cl)c1cccc2c(=O)c3cccc(F)c3[nH]c12 436069804 TYPQWIRNIPMQDI-UHFFFAOYSA-N 445.281 4.364 5 20 IIBD CN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1ccc(C(F)(F)F)cc1Cl 439122521 GOOOGYKJVKWUKT-UHFFFAOYSA-N 425.754 4.124 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(OCC(C)C)c(Cl)c1 439821840 NQNINLIVWRWJIF-UHFFFAOYSA-N 435.864 4.259 5 20 IIBD COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 443856942 OETWMEKINZHOEZ-UHFFFAOYSA-N 430.766 4.082 5 20 IIBD C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 444407948 GAWXAVUKBYEGRL-BTYIYWSLSA-N 429.904 4.451 5 20 IIBD Cc1ccc(-c2cc(C(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)c3c(C)noc3n2)cc1 444644831 NZSWIUSNSKVUBB-UHFFFAOYSA-N 442.435 4.221 5 20 IIBD Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C\c1nc(-c2c([N+](=O)[O-])ncn2C)no1 445574686 MNPNZJKFYQTORB-HJWRWDBZSA-N 439.863 4.064 5 20 IIBD Cc1nnc2ccc(-c3noc(-c4ccc(N[C@H](C)c5ccccn5)c([N+](=O)[O-])c4)n3)cn12 445647329 LSNPHUQWDQOVGA-CYBMUJFWSA-N 442.439 4.231 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccnn2-c2ccc(Cl)cc2)c(C(F)(F)F)c1 446968538 YTECWPZKFRZCPV-UHFFFAOYSA-N 446.794 4.254 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(-c3cccnc3Oc3ccccc3)no2)c1N1CCOCC1 447245877 GMLMBCGQPMDCRJ-UHFFFAOYSA-N 445.435 4.336 5 20 IIBD COC(C)(C)C[C@H](C)NC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 460259036 GIAOUOYRWSTXBG-AWEZNQCLSA-N 430.526 4.481 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N(C[C@H]3CCOC3)C3CC3)n2CCc2ccccc2)c1 460431767 RJIONPNPFWEQJS-LJQANCHMSA-N 433.512 4.101 5 20 IIBD COc1ccccc1O[C@H](C)CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 464301422 NCJWYXLDHGBOKM-QGZVFWFLSA-N 435.480 4.413 5 20 IIBD COc1cc(S(=O)(=O)N(C)[C@@H](c2ccc(Cl)cc2)C(F)(F)F)ccc1[N+](=O)[O-] 464428030 MKVTUZKWNAKVNH-HNNXBMFYSA-N 438.811 4.181 5 20 IIBD C[C@@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1Cc1ccccc1 464891569 JVUXVBIJTVCNFX-QGZVFWFLSA-N 436.537 4.455 5 20 IIBD C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1nc(-c2cccc(F)c2)no1 464933010 LQWPEBLJVWXZAR-NSHDSACASA-N 439.428 4.398 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1Cc2ccccc2C[C@H]1c1ccccc1 465154831 CAFUTISJPCCVAQ-NRFANRHFSA-N 430.460 4.235 5 20 IIBD COc1cc(C(=O)N(Cc2cccc(Br)c2)C2CCOCC2)ccc1[N+](=O)[O-] 468146778 POUXHGKHJGHOKW-UHFFFAOYSA-N 449.301 4.187 5 20 IIBD COC(=O)COc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cc1 469331216 QENBSHNSUYIABF-AWEZNQCLSA-N 432.498 4.138 5 20 IIBD COc1cc(CNC2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F 469783667 PMWPWUHVNPARIN-HZPDHXFCSA-N 449.498 4.451 5 20 IIBD COc1cc(OCC(=O)NCC(C)(C)c2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] 469972418 KPLQVDRXWMFSMN-UHFFFAOYSA-N 426.391 4.095 5 20 IIBD Cc1c(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cccc1C(F)(F)F 471850445 YYOXDHSEBWVLNH-ZDUSSCGKSA-N 427.404 4.227 5 20 IIBD Cc1cc(-c2noc([C@H](C)NC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)n2)ccc1F 474506699 BEQMALYHSYECEF-ZDUSSCGKSA-N 427.436 4.388 5 20 IIBD CCOC1CC(CCNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 474931179 GXMODBYLZJBQOU-UHFFFAOYSA-N 448.523 4.311 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 475581986 RPGQFBFHKHTGAL-MRXNPFEDSA-N 443.479 4.416 5 20 IIBD CCOc1cc(N2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc([C@H]4C[C@H]4C)o3)CC2)ccc1[N+](=O)[O-] 477367131 SZLJAEGWCOYBSR-XGXHKWSGSA-N 439.512 4.162 5 20 IIBD O=C(c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N(CC1CCC1)CC1CC1 478604866 AHGAQSKQPGWBNM-UHFFFAOYSA-N 443.525 4.048 5 20 IIBD COc1cc(NC(=O)CCn2cc(-c3cccc([N+](=O)[O-])c3)cn2)c(OC)cc1Cl 478820693 GCSURIWUVSSNAD-UHFFFAOYSA-N 430.848 4.158 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 480626968 YFWIJDVQPHYXOA-CQSZACIVSA-N 443.525 4.173 5 20 IIBD COC(=O)CCSc1cccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 480847286 PLYZJUPQIWFUFS-UHFFFAOYSA-N 429.498 4.447 5 20 IIBD CC[C@@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 481644041 LJNCSLSAWQXXLB-SUMWQHHRSA-N 425.938 4.267 5 20 IIBD O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 485406666 NHLDNPKWJUZUOW-UHFFFAOYSA-N 443.843 4.180 5 20 IIBD COc1cccc(O[C@H](C)CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 485737586 XKKQIQRAMBTXOH-QGZVFWFLSA-N 436.464 4.380 5 20 IIBD CSc1cccc(C(=O)N2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)c1[N+](=O)[O-] 486425106 PPAWREFRGCBEIC-HNNXBMFYSA-N 439.493 4.098 5 20 IIBD Cc1cc(Br)cc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1 486606570 SHPPMDWPFHLTNG-UHFFFAOYSA-N 448.302 4.198 5 20 IIBD Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 488909555 NFLLCMBZJWNDRS-QZTJIDSGSA-N 447.539 4.499 5 20 IIBD O=C(Nc1ccn(-c2ncccc2C(F)(F)F)n1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 489314000 NEWSONNMLBQQBU-UHFFFAOYSA-N 445.279 4.465 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)c1 495355833 VETVRLXRNAJTLK-UHFFFAOYSA-N 432.423 4.072 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)c1 499061488 AZKYKTZPUCEGQH-UHFFFAOYSA-N 448.932 4.350 5 20 IIBD CCOc1ccc(C(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 499361196 NADSXRPWUKJOMI-UHFFFAOYSA-N 439.434 4.216 5 20 IIBD Cc1c(C(=O)Nc2ccc(CCn3nnc(-c4ccccc4)n3)cc2)cccc1[N+](=O)[O-] 499459578 YGDLFGNGFRXUGX-UHFFFAOYSA-N 428.452 4.052 5 20 IIBD CCOc1ccccc1C(=O)N1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 502069424 STNUCXMYQFGSKM-UHFFFAOYSA-N 439.515 4.385 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C1CCN(C(=O)c2ccccc2)CC1 503021865 RUPVTNFAZIMXQX-UHFFFAOYSA-N 441.553 4.474 5 20 IIBD O=[N+]([O-])c1ccc(CCS(=O)(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)cc1 503832631 RVGOJFHTIXQXGA-UHFFFAOYSA-N 437.521 4.194 5 20 IIBD O=C(N[C@@H](c1ccccc1)c1ccc(F)cc1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 505939705 VXUCLZQWWOTVNX-QHCPKHFHSA-N 434.471 4.355 5 20 IIBD CS[C@@H](C)CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 507878327 GLPDRQBENJEHCS-YVEFUNNKSA-N 438.347 4.378 5 20 IIBD O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCCCC[C@@H]1Cc1ccccc1Cl 508429541 YATWZJUGSFNLDE-GOSISDBHSA-N 439.903 4.456 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)c([N+](=O)[O-])c1 509253790 IKLXOQHGUIJXOW-UHFFFAOYSA-N 425.875 4.181 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nn(-c2ccccc2)c2c1CCC2 509736761 TXBWHHXGZVIQHL-UHFFFAOYSA-N 433.512 4.389 5 20 IIBD CCN([C@H](c1ccc(Cl)cc1)c1ccccn1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 510232889 BSHQVUHEMNEVQA-HXUWFJFHSA-N 431.901 4.443 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc(Br)sc1Br 512972038 AMLXJVZHAHJZPW-UHFFFAOYSA-N 448.136 4.496 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(Cn2cc(Br)ccc2=O)cc1OC 513601870 ASPSTTFUHQYWSP-LBPRGKRZSA-N 425.279 4.001 5 20 IIBD COc1cc(C(=O)N2CCCc3c2cccc3[N+](=O)[O-])ccc1OCc1cscn1 513836755 NDARWBMWALZDPH-UHFFFAOYSA-N 425.466 4.232 5 20 IIBD O=C(NC[C@H]1CCCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1)c1ccco1 514194396 YHOUSSDPIUFXAY-QGZVFWFLSA-N 448.479 4.214 5 20 IIBD COc1cc(CCNC(=O)N[C@@H](c2ccccc2)C2CCCC2)c([N+](=O)[O-])cc1OC 520819320 WTEQYUKQBHPTSO-QFIPXVFZSA-N 427.501 4.385 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 521983590 ALMSJEBXNOYWCM-INIZCTEOSA-N 437.924 4.260 5 20 IIBD O=C(Nc1ccc(Br)cn1)c1cccc(NC(=O)c2ccc([N+](=O)[O-])s2)c1 522222446 COMFVTZRVLSACK-UHFFFAOYSA-N 447.270 4.318 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 522515010 YQWVENSHRLTOPB-GDLZYMKVSA-N 444.534 4.153 5 20 IIBD CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 522528802 PAINIYBYZPKRJM-PMERELPUSA-N 429.542 4.495 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 522847506 VVIWBOCPMLUJCO-LJQANCHMSA-N 441.463 4.184 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@@H](C)C[C@H]2CCCO2)c([N+](=O)[O-])c1 523297850 SUYLSHJPGGDOPB-FUHWJXTLSA-N 433.530 4.180 5 20 IIBD O=C(NCc1ccccc1OCC(F)(F)F)c1ccc([N+](=O)[O-])cc1Br 523490561 SHXCTEYDBOBOPI-UHFFFAOYSA-N 433.180 4.228 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)c1 525628299 DTUZAVOYIULBRR-UHFFFAOYSA-N 433.464 4.231 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(C)cccc2s1 534212369 IWOAUGDZIRXWNU-UHFFFAOYSA-N 431.495 4.420 5 20 IIBD CC[C@H](c1ccncc1)N(CC)C(=O)c1cc(I)cc([N+](=O)[O-])c1 534289790 MTIFNPYBUZGZMK-MRXNPFEDSA-N 439.253 4.208 5 20 IIBD COc1ccc(Oc2ccc(CCNC(=O)C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 534354243 PFGGJUUWGLTDBY-UHFFFAOYSA-N 449.463 4.002 5 20 IIBD COc1ccc(-c2nc(C)c(C(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc34)s2)cc1OC 535457523 KCPYAVMWUYVRMF-UHFFFAOYSA-N 439.453 4.173 5 20 IIBD O=C(Nc1cccc(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c1)c1cccc(F)c1 535679436 JFNXRUBOGMEQBI-UHFFFAOYSA-N 432.411 4.398 5 20 IIBD COc1cc(CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C2CC2)ccc1OC(F)F 535700292 UDWDAGYQJRGBOH-UHFFFAOYSA-N 431.395 4.491 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 539299116 MZOLFEQQJCITQP-UHFFFAOYSA-N 449.554 4.132 5 20 IIBD O=C(NCCS(=O)(=O)c1ccccc1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 542551544 RUFVFGWLSSGRAB-UHFFFAOYSA-N 448.566 4.081 5 20 IIBD Cc1ncc(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)c(O)n1 543317795 XWJSGRRWDSPVCP-UHFFFAOYSA-N 430.873 4.133 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 544338648 RYRLGCQGNLDARX-CQSZACIVSA-N 426.498 4.302 5 20 IIBD Cc1ccc(CN(Cc2ccco2)C(=O)c2cc([N+](=O)[O-])cn2C)c(Br)c1 548918105 YXRRBTNUKUOFRD-UHFFFAOYSA-N 432.274 4.440 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1ccc(CN2CCCC2)cc1)c1ccccc1[N+](=O)[O-] 549024839 UMRGQSRQMAYCGU-OAQYLSRUSA-N 439.512 4.003 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@@H](C)c2ccnc(O)c2)c([N+](=O)[O-])c1 549198220 DGOAIZCWYRGOKK-HNNXBMFYSA-N 442.497 4.084 5 20 IIBD CC(C)(C(=O)Nc1ccc(NC(=O)CCN2CCCCC2)cc1)c1ccccc1[N+](=O)[O-] 550386296 KESXWWJQTHOUHP-UHFFFAOYSA-N 438.528 4.326 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@](CO)(C(C)C)C2)c([N+](=O)[O-])c1 550433758 UVXIUPGYEJKANU-VWNXMTODSA-N 425.529 4.314 5 20 IIBD Cc1cc(CC(C)(C)NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)ccc1Br 553668130 IOBPBUCZBJOHCC-UHFFFAOYSA-N 437.338 4.007 5 20 IIBD O=C(Nc1cccc(OCC(F)F)n1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 554023067 FKRAFTSFMJJQDO-UHFFFAOYSA-N 429.379 4.465 5 20 IIBD C[C@H](N[C@@H](C)c1ccc(-n2cccn2)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 555626682 WYINXHPNTIRFCT-STQMWFEESA-N 431.855 4.251 5 20 IIBD Cc1nc([C@@H](NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c2ccccc2F)no1 555889401 SIADXPPWOCSHMJ-INIZCTEOSA-N 449.236 4.016 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1CCOC[C@@H]1[C@H]1CCCO1 557557502 YBBUTJBXXPJCOS-RTBURBONSA-N 448.928 4.419 5 20 IIBD O=C(NCc1ccc2sccc2c1)c1ccc([N+](=O)[O-])cc1I 562910788 AYXPXIHXIUIESC-UHFFFAOYSA-N 438.246 4.344 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(CC(=O)Nc2cccc3ncccc23)no1 564275803 GAWHJKUVJROVKN-INIZCTEOSA-N 431.452 4.444 5 20 IIBD COCCC[C@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccc(Cl)cc1 566329858 OEBFIKOQUIPCMX-QGZVFWFLSA-N 442.903 4.374 5 20 IIBD COc1ccccc1-c1nc(C2CCN(C(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)no1 568708439 BLFYTDJHXZMPHZ-HNNXBMFYSA-N 436.468 4.163 5 20 IIBD CCCN(C)C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cccs2)C1 569556840 JFPLPTVGHYIELY-KRWDZBQOSA-N 440.573 4.131 5 20 IIBD O=C([C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1)N1CCCC1 581397379 SRSIOROEYAFMKD-CQSZACIVSA-N 448.317 4.062 5 20 IIBD CC1CCN([C@H](CN[C@H](c2ccc([N+](=O)[O-])cc2)c2nccn2C)c2ccccc2)CC1 581899897 PJSLXXIGANAUIY-DNQXCXABSA-N 433.556 4.481 5 20 IIBD Cc1cc(Br)ccc1CNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 585758059 DLQNLJFUYAIIDG-UHFFFAOYSA-N 448.317 4.218 5 20 IIBD CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)cc1[N+](=O)[O-] 601964400 PVRMGHMHVNZVCB-GOSISDBHSA-N 440.500 4.445 5 20 IIBD O=C(Nc1nn2cnnc2s1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 603467431 GMORWGFPXYTSKP-UHFFFAOYSA-N 432.874 4.151 5 20 IIBD O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 603739580 DDUGOMHJTFVFTO-NRFANRHFSA-N 439.903 4.001 5 20 IIBD Cc1ccc(-c2csc(NC(=O)Cc3csc(NC(=O)C(C)C)n3)n2)cc1[N+](=O)[O-] 603752096 JBXDFECPFUTMLE-UHFFFAOYSA-N 445.526 4.259 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)N1CCCCC1 604097420 KWLSBWBYVQXQNG-LAUBAEHRSA-N 426.517 4.191 5 20 IIBD CCc1cc(N2CCC(CC(=O)NC3CCCC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 604403048 DLNBTRGXZKCBHR-UHFFFAOYSA-N 437.544 4.280 5 20 IIBD O=C(c1cc(NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)ccc1[N+](=O)[O-])N1CCCC1 604466949 KOFCCFOHDQJKNX-INIZCTEOSA-N 428.920 4.423 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](c3ccccc3Cl)OC[C@@H]2C)cc1OC 609508188 CARNVWLNJIDQMJ-RNODOKPDSA-N 434.876 4.258 5 20 IIBD C[C@@H](SCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1nc(-c2cccs2)no1 609770136 YKXKVSCUYRVTAH-LLVKDONJSA-N 432.483 4.499 5 20 IIBD Cc1cc(CNC(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)no1 609810572 IKGMCAQKXHJVOT-UHFFFAOYSA-N 434.811 4.475 5 20 IIBD C[C@H](c1ccccc1)N(CC1CCC1)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 610122737 ULYNCRZWGDSMEZ-OAHLLOKOSA-N 427.526 4.176 5 20 IIBD CCOC(=O)c1nnc(NC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)s1 610894311 NLWDNRBVXYPBFP-UHFFFAOYSA-N 444.494 4.335 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCc2sc(Br)cc2C1 610935070 INBFDRSZCUPPEH-UHFFFAOYSA-N 446.120 4.380 5 20 IIBD COc1cc(CN2c3cccc4cccc(c34)S2(=O)=O)c([N+](=O)[O-])cc1OC(F)F 619250450 JDVJJOSKMOYQOT-UHFFFAOYSA-N 436.392 4.067 5 20 IIBD O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)[C@@H](OC1CCCC1)c1ccccc1 727052124 LJUSBNBEONJKAZ-QHCPKHFHSA-N 439.512 4.450 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H](c2ccccc2)CC1 727462081 KUJJMXPEEUGAGF-OAHLLOKOSA-N 439.331 4.316 5 20 IIBD CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)OCc1cccc([N+](=O)[O-])c1C 730631413 OGLVOJRISPMXLF-OAHLLOKOSA-N 437.539 4.311 5 20 IIBD O=C(NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 730691385 WANXIQLZDGZUBH-VXGBXAGGSA-N 449.699 4.164 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@]2(O)CCCc3ccccc32)cc1[N+](=O)[O-])c1ccccn1 731369397 FBOPZOBMSVBAPM-SSOJOUAXSA-N 446.507 4.117 5 20 IIBD CCNC(=O)c1cc(Cl)ccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 731465111 LBFQOSKRPVWEHG-SNVBAGLBSA-N 426.256 4.057 5 20 IIBD CC(C)OC(=O)Cc1nc(COC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cs1 733474130 KPSNVSFEIBSUKO-UHFFFAOYSA-N 447.494 4.026 5 20 IIBD C[C@H](OC(=O)c1cccc(Oc2nccs2)c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 736925554 UAYDFWGPIOITJT-NSHDSACASA-N 431.401 4.167 5 20 IIBD CCOC(=O)N1[C@H](C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1c1ccc(C)o1 739589756 PSIYSBTWSLZDKV-UXHICEINSA-N 443.500 4.297 5 20 IIBD CCC[C@@H](NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1 740409561 DZBMLMZCXPDLEE-QGZVFWFLSA-N 435.274 4.172 5 20 IIBD COCC[C@H](Cc1cccc(Br)c1)C(=O)OCc1cc(F)ccc1[N+](=O)[O-] 741183257 WZUVFRPMCNZHHS-CQSZACIVSA-N 440.265 4.435 5 20 IIBD Cc1cc(C(=O)N2CCC(C)CC2)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1F 742028067 PAHAVMGQMBVHTG-UHFFFAOYSA-N 449.504 4.024 5 20 IIBD CCCN(Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)[C@H]1CCCN(Cc2ccccc2)C1 742148452 VDFBUSMJTYTBMF-QFIPXVFZSA-N 434.544 4.187 5 20 IIBD Cc1ccc(-c2cnc(COC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)o2)cc1 744927459 MDYOBNNPQZCZKF-HXUWFJFHSA-N 449.463 4.215 5 20 IIBD C[C@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 745074643 UMYHGBJDKCZPOF-LBPRGKRZSA-N 426.385 4.135 5 20 IIBD CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Br 745982091 IPPFRHXBVFHZAO-UHFFFAOYSA-N 435.274 4.494 5 20 IIBD COc1ccc(CCCC(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)cc1 747121449 ILWSRTFYLCHANQ-UHFFFAOYSA-N 438.484 4.413 5 20 IIBD C[C@@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N[C@H](C)c1ccc(F)cc1 747960908 ACBHDVLRLBGHNQ-CHWSQXEVSA-N 443.456 4.280 5 20 IIBD COc1ccc2oc([C@@H](C)Nc3ccc([N+](=O)[O-])cc3S(=O)(=O)N(C)OC)c(C)c2c1 748276638 TXKOIYWREBQPCV-CYBMUJFWSA-N 449.485 4.013 5 20 IIBD COc1ccc(-c2cnc(COC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)o2)cc1 748942486 CALIFFJGWCSJBB-UHFFFAOYSA-N 427.369 4.140 5 20 IIBD Cc1ccc(OCCC(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)c(Br)c1 751655007 FWYODFKNWSTOJU-UHFFFAOYSA-N 435.230 4.319 5 20 IIBD C[C@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C 752439598 TXDRUWPRMSFALN-JSGCOSHPSA-N 443.953 4.102 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(=O)n(CCOc2ccccc2Cl)c1 752754103 MIVSRTKIKPNMLW-UHFFFAOYSA-N 448.262 4.395 5 20 IIBD C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 755017695 DSMDYDYFBYBYBM-LMMOQWNQSA-N 433.804 4.130 5 20 IIBD CC(C)COC[C@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccco1 755029965 KTNYSGPOWITUAG-AWEZNQCLSA-N 426.267 4.486 5 20 IIBD Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)c2)n1 755371556 XZXKQLQICZOFSA-UHFFFAOYSA-N 429.274 4.471 5 20 IIBD CN(CCc1ccc(Br)cc1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 756967387 XALZVTFCMLTDKZ-UHFFFAOYSA-N 426.698 4.395 5 20 IIBD CC(C)(C(=O)Nc1cnc(Br)c(Br)c1)c1ccc([N+](=O)[O-])cc1 757825772 OLMJGQLUWMZURX-UHFFFAOYSA-N 443.095 4.431 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1ccnc(Br)c1 759059987 IBAWIGICCZVOOW-UHFFFAOYSA-N 426.226 4.236 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])OCc1cc(Br)cc2cccnc12 759878113 IIFIXGHPVBGMGD-UHFFFAOYSA-N 431.242 4.418 5 20 IIBD CC(C)(C)OC(=O)N(CC(=O)O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 761116018 YXZKKXOZTRXIHS-MSOLQXFVSA-N 444.488 4.260 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C(=O)NC(C)C)ccc1Cl 761890170 YOWPVGVWUZYFGZ-UHFFFAOYSA-N 446.312 4.149 5 20 IIBD C[C@H](NC(=O)COC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 763410890 ZHEKZXAOGDHOPZ-NEPJUHHUSA-N 425.268 4.426 5 20 IIBD Cc1cccc([C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c2ccccn2)c1 765726295 YIIDMKQDAONVDW-HXUWFJFHSA-N 431.901 4.328 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccc(Cl)cc1 766223919 IWJKFPIDJBTZQD-QWHCGFSZSA-N 427.844 4.219 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1 766510672 PPNFIJCQYJKKHH-UHFFFAOYSA-N 445.453 4.258 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCc1nc(-c2ccc(F)c(F)c2)no1 768014013 SRQNMSVEXZHAJS-SECBINFHSA-N 439.758 4.087 5 20 IIBD CC(=O)c1ccc(N2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)c(F)c1 768219384 XWFSVSKWZJPXDB-UHFFFAOYSA-N 440.500 4.382 5 20 IIBD CC[C@@H]1CCCC[C@H]1OCCOC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 770953625 YMDDLDHNKGLSQP-RHSMWYFYSA-N 434.518 4.017 5 20 IIBD C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@H](O)c1c(Cl)cccc1Cl 771718488 QAVBCICIVQNAKX-BUXKBTBVSA-N 438.311 4.354 5 20 IIBD C[C@H](OC(=O)C=C1CCSCC1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 772140245 SRIMEZYESMEOPM-LBPRGKRZSA-N 433.511 4.042 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3COC4(CCCC4)O3)o2)c(Br)c1 773418612 UHWWXEGWTSHIDB-HNNXBMFYSA-N 437.290 4.393 5 20 IIBD O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 774930184 GZMNVWUFBOSIPW-AWEZNQCLSA-N 447.835 4.038 5 20 IIBD Cc1ccc(CNC(=O)c2ccccc2NC(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 775181077 VDEMWLXKPJGEJW-GOSISDBHSA-N 446.507 4.123 5 20 IIBD O=C(O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])[C@H]1CCCN(C(=O)c2ccccc2)C1 776137025 MBEAYSRGOLNFRG-REWPJTCUSA-N 445.475 4.175 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1CCCN(C(=O)OCC)C1 776997749 CGBMTXBGYOPXEZ-HOTGVXAUSA-N 437.562 4.474 5 20 IIBD O=C(NCCSCc1ccnc(Cl)c1)c1ccc([N+](=O)[O-])cc1Br 777450353 WCHVXTUIMZCCLX-UHFFFAOYSA-N 430.711 4.069 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2-c2cccs2)cc1[N+](=O)[O-] 777600432 JRBJRADDGYYWMZ-UHFFFAOYSA-N 433.467 4.302 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2nc(N3CCCC3)sc2c1 777915334 UFDBZXDOPVOYGS-UHFFFAOYSA-N 436.490 4.053 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cccc([N+](=O)[O-])c1N 779356576 ONIHAOGDYOWREZ-KRWDZBQOSA-N 426.473 4.331 5 20 IIBD COc1cc(COC(=O)c2ccc(C(F)(F)F)cn2)c([N+](=O)[O-])cc1OCC(F)F 780059855 PEYALCWQZUHWIP-UHFFFAOYSA-N 436.289 4.018 5 20 IIBD C[C@@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(OCC(F)(F)F)cc1 781610913 VGUCZPZOPSOSOI-GFCCVEGCSA-N 441.362 4.254 5 20 IIBD CCOc1cc(N2CCC(OC(=O)C[C@@H]3CCO[C@@H](C(C)C)C3)CC2)ccc1[N+](=O)[O-] 781808519 PWJVYELFKZXWKY-DYESRHJHSA-N 434.533 4.347 5 20 IIBD O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCCN(c2ncccc2F)CC1 784207410 DYLQZEKDMMRBFP-UHFFFAOYSA-N 435.459 4.225 5 20 IIBD CNC(=O)c1cc(Oc2cc(NC(=O)c3cc([N+](=O)[O-])cc(C)c3F)ccc2C)ccn1 790813329 FHYKSQRPJZWCMR-UHFFFAOYSA-N 438.415 4.150 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Sc2ccccc2Cl)nn1 792018726 KMQQIZXVQJGUHA-UHFFFAOYSA-N 446.828 4.455 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc(CC(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 792089910 JBVVGAAFBHRFIG-UHFFFAOYSA-N 431.401 4.136 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)OC[C@@H]2CCC[C@H](O)C2)cc1[N+](=O)[O-] 795233696 GJFDWWQWVOMHDE-ZBFHGGJFSA-N 429.494 4.256 5 20 IIBD O=C(Nc1ccccc1)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cc1 795306825 QGIYUJMQLZVCIZ-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)Nc2ccc(F)cc2Br)c1 798247546 ROFUKSUMSPYKFX-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD CC(C)(C)OC(=O)N1CCCc2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc21 799529919 UETIVUGEJGZJGX-UHFFFAOYSA-N 433.486 4.083 5 20 IIBD COCCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1OC 803464436 ALJFZMNJXIHIEW-UHFFFAOYSA-N 439.262 4.034 5 20 IIBD O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1cc(F)c(C(F)(F)F)cc1F 805594649 XKWUVTBAFLJXLB-UHFFFAOYSA-N 446.284 4.047 5 20 IIBD C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 807989196 YQEKTOLFDLEXKS-ZAUVIXRXSA-N 443.313 4.288 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)Nc2ccc3c(c2)C(=O)OC3)cc1[N+](=O)[O-] 809353533 ZIQFLZBOHJQQDW-UHFFFAOYSA-N 448.456 4.470 5 20 IIBD Cc1c(Cc2noc(Cc3ccc(NC(=O)OC(C)(C)C)cn3)n2)cccc1[N+](=O)[O-] 809435774 OFTNIJGIXVJNLQ-UHFFFAOYSA-N 425.445 4.210 5 20 IIBD CS(=O)(=O)c1ccc(N(CCN)Cc2c3ccccc3cc3ccccc23)c([N+](=O)[O-])c1 809728265 QFFQAEQPMUJZGO-UHFFFAOYSA-N 449.532 4.270 5 20 IIBD O=C(Nc1ccc2c(ccn2CCN2CCOCC2)c1)Nc1cccc([N+](=O)[O-])c1Cl 809914343 ZFEMRPKQEJMSLH-UHFFFAOYSA-N 443.891 4.179 5 20 IIBD C[C@H]1CN(Cc2ccc(CNC(=O)Nc3cccc([N+](=O)[O-])c3Cl)cc2)C[C@H](C)O1 809916421 JPXKMVOXAUYSFX-GJZGRUSLSA-N 432.908 4.179 5 20 IIBD C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl 809921025 CBSHBADITLIYHI-CQSZACIVSA-N 445.907 4.387 5 20 IIBD Cn1cc(C(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)c(C2CC2)n1 810533933 ZVWINQQALWCGFT-UHFFFAOYSA-N 440.843 4.331 5 20 IIBD CC[C@@H]1[C@@H](C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1C(=O)OC(C)(C)C 810589204 DTUOTXOROJFKRK-ZWKOTPCHSA-N 445.472 4.329 5 20 IIBD O=C(COC(=O)c1ccc(C2=CCCC2)cc1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 811256748 XUKHMVOQDFVHOT-UHFFFAOYSA-N 438.436 4.119 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 902928093 VNDWOVKGYZBUBQ-GHXNOFRVSA-N 431.404 4.228 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(Nc3cccc(CO)c3)c([N+](=O)[O-])c2)c(C)c1 912727889 QRFJTBMNEMFCLU-UHFFFAOYSA-N 427.482 4.248 5 20 IIBD COc1ccc2cc([C@]3(C)NC(=O)N(Cc4ccc(Cl)c([N+](=O)[O-])c4)C3=O)ccc2c1 915660440 USQBBHQQCFVTRD-QFIPXVFZSA-N 439.855 4.377 5 20 IIBD COc1cc([C@@H](C)NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccncc1 916493394 QPXDAUMZLAFBGC-OCKNTNFFSA-N 433.464 4.468 5 20 IIBD Cc1ccc(C2=CCN(S(=O)(=O)c3cc(Br)ccc3[N+](=O)[O-])CC2)cc1 917864894 KZTOEZFMCZLFTD-UHFFFAOYSA-N 437.315 4.144 5 20 IIBD O=C(NCc1cccc(N2CCOC2=O)c1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 918092822 IVEKJJODOQHNKA-UHFFFAOYSA-N 432.436 4.225 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1ccc2ccccc2c1 919221502 KFVSLSSRXKGPAM-KBPBESRZSA-N 437.408 4.079 5 20 IIBD CCCCc1nc(-c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)no1 919928822 WNUXBMGOUVUGBJ-UHFFFAOYSA-N 437.861 4.409 5 20 IIBD COc1ccc(-c2nc(COC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])co2)cc1 920778787 VSBQXFKFAMKPGB-LBPRGKRZSA-N 432.816 4.423 5 20 IIBD CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc(-c3cc(C)c([N+](=O)[O-])cc3C)no2)cc1 1116612111 FEEPJTABLBXPGR-CQSZACIVSA-N 430.486 4.005 5 20 IIBD CCOC(=O)[C@@H](Cc1ccccc1Cl)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 1324101061 PXRCCZNOSNUYEB-OAHLLOKOSA-N 445.686 4.459 5 20 IIBD COc1cccc(N2CCC(NC(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)c1 1325710230 MCKCWOPKAGTPKL-UHFFFAOYSA-N 438.406 4.413 5 20 IIBD C[C@@]1(C(=O)NC2(c3ccc(NC(=O)Cc4cccc([N+](=O)[O-])c4)cc3)CCC2)CC1(F)F 1785795033 OEFVAPKOYVLBON-NRFANRHFSA-N 443.450 4.317 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCC4)cc2)CCC1)c1ccco1 1790046367 ALOFHJGAGNLWCA-UHFFFAOYSA-N 447.447 4.184 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1)c1ccc2c(c1)COC2 1790185797 FPDWFTXGBCTYCM-UHFFFAOYSA-N 446.463 4.015 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@@H]3CCC=CO3)CCC2)cc1)c1cccc(F)c1[N+](=O)[O-] 1790700980 HLUKAVWMTLGPBB-IBGZPJMESA-N 439.443 4.174 5 20 IIBD C[C@H]1C[C@@]1(C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3F)cc2)CCC1 1791183917 OSJYTVPCSFCBKP-NPMXOYFQSA-N 439.487 4.457 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)cc1F)c1cccc(F)c1[N+](=O)[O-] 1792723700 FNVDRZTTZCGSRI-BTTYYORXSA-N 449.841 4.092 5 20 IIBD CC(C)(C)CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830494893 IHNXFRXCAVUYOY-FQEVSTJZSA-N 433.524 4.403 5 20 IIBD CC(C)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830498106 SLUSCYZZDVJPDW-OAQYLSRUSA-N 433.524 4.403 5 20 IIBD O=C([C@H]1CC=CCC1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830621284 LTMWUJQAZZJXJK-RXVVDRJESA-N 443.519 4.324 5 20 IIBD C[C@@H]1C[C@@]1(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830621667 QBARGDNKRYQJOH-BIFSNJIPSA-N 431.508 4.013 5 20 IIBD CCN(C(=O)[C@@H](C)OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 11277684 YIXIBMAMMYCKMJ-GOSISDBHSA-N 428.488 4.140 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1ccc(S(=O)(=O)N2CCCCC2)cn1 18060518 GXOJMOHIBKFPBI-UHFFFAOYSA-N 447.460 4.334 5 20 IIBD CSc1ccc(C(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)cs2)cc1[N+](=O)[O-] 21903191 ANSMHYOHLTUHMG-UHFFFAOYSA-N 448.551 4.390 5 20 IIBD Cc1nc(CC(=O)O[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)cs1 22619204 AHVLJJPRZOVCNZ-IBGZPJMESA-N 445.884 4.479 5 20 IIBD COc1cc(CN(Cc2cccs2)C[C@H]2CCCO2)c([N+](=O)[O-])cc1OC(F)F 27366068 MWVHQDTZSWRXIG-CQSZACIVSA-N 428.457 4.448 5 20 IIBD C[C@H]1CCCN(c2ccc(C(=O)NCCc3nccn3Cc3ccccc3)cc2[N+](=O)[O-])C1 27471262 ZTRCGOOJEIBONA-IBGZPJMESA-N 447.539 4.048 5 20 IIBD O=C(NCc1ccnc(N2CCCC2)c1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 29552331 WAUPHCYDFSULPA-UHFFFAOYSA-N 431.496 4.132 5 20 IIBD CC1CCN([C@H](CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c2cccs2)CC1 31209191 IVHVWPHIXWAIEO-HXUWFJFHSA-N 439.541 4.045 5 20 IIBD O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 33097671 VGZQWIZFKBHYGM-MRXNPFEDSA-N 448.266 4.021 5 20 IIBD CCCCc1ccc(-n2nnnc2SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 36186772 MABKRRZOYCAFGG-UHFFFAOYSA-N 437.485 4.255 5 20 IIBD Cc1c(C(=O)N(CC(=O)Nc2ccccc2F)Cc2ccccc2F)cccc1[N+](=O)[O-] 58494070 OXUAFVNMJGTJCZ-UHFFFAOYSA-N 439.418 4.463 5 20 IIBD COc1cc(C(=O)NC[C@H](C)N2CCCC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 63733284 XJMPOMNLMZLLNB-AWEZNQCLSA-N 433.892 4.263 5 20 IIBD CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 71987950 IAPVDRDIYCSGDU-UHFFFAOYSA-N 442.324 4.141 5 20 IIBD CCOc1cc(C(=O)Oc2cc3oc(=O)cc(C)c3cc2CC)c([N+](=O)[O-])cc1OC 104955382 IIVBYRSEYOICKV-UHFFFAOYSA-N 427.409 4.199 5 20 IIBD O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 107703096 ULHPQCSBXBMWFE-IBGZPJMESA-N 437.418 4.103 5 20 IIBD O=C(c1cccc(OC[C@@H]2CCCO2)c1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 195557853 IHNDOMGRAAHPSW-SFHVURJKSA-N 438.402 4.357 5 20 IIBD C[C@@H]1C[C@H](c2ccc(F)cc2)CN1c1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl 301322758 IJGBQPNNGWYLFF-HIFRSBDPSA-N 428.851 4.316 5 20 IIBD O=c1c(Cl)c(N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)cnn1-c1ccc([N+](=O)[O-])cc1 302018956 MVKIBDYHBVVXGQ-APWZRJJASA-N 448.813 4.014 5 20 IIBD Cc1csc(-c2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)cc2)n1 303532844 WXBCENHTPGPARN-OAHLLOKOSA-N 442.522 4.332 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)c2cc(O)nc3c(Br)cccc23)cc1[N+](=O)[O-] 426961142 XTHLKPTXZPIGBD-LLVKDONJSA-N 430.258 4.411 5 20 IIBD Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)C2)c1 428719449 PLDSDUQZSLVWAW-IBGZPJMESA-N 436.512 4.338 5 20 IIBD O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 437750014 SOKCIVQVJUYVAB-JOCHJYFZSA-N 441.484 4.228 5 20 IIBD CCOc1cc(Br)c(CC(=O)Nc2ccc([N+](=O)[O-])c(C)n2)cc1OCC 440412954 TYRTUEIMJQEIBC-UHFFFAOYSA-N 438.278 4.039 5 20 IIBD O=C(NCCc1ccc2c(c1)OCCO2)c1ccccc1Sc1ccccc1[N+](=O)[O-] 440436514 VETQFOUCASFGLD-UHFFFAOYSA-N 436.489 4.490 5 20 IIBD O=C(CCc1nc(-c2ccccn2)no1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 440596789 OAYXZYRCWQAFAP-UHFFFAOYSA-N 429.436 4.206 5 20 IIBD CSc1nc(C)c(CCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c(O)n1 440607230 BEZAHNHIMIVZBM-UHFFFAOYSA-N 438.509 4.287 5 20 IIBD Cc1cc(=O)c(C(=O)N2C[C@@H](C(C)(C)C)c3ccccc32)nn1-c1ccccc1[N+](=O)[O-] 443858866 LLJHADZJEWUGLO-QGZVFWFLSA-N 432.480 4.239 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1 443948556 NGRKHKOIGWHEEX-INIZCTEOSA-N 448.545 4.125 5 20 IIBD C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 444409313 JJROHFXGCKLZFW-XOBRGWDASA-N 426.860 4.036 5 20 IIBD CN(Cc1ccccc1)Cc1cccc(C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 444635902 MJKCBEOTLXHGCN-UHFFFAOYSA-N 429.480 4.033 5 20 IIBD C[C@@H](NC(=O)Cc1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1)c1ccc(Cl)cc1Cl 445770544 ZRZFHEXBTZHZEQ-SECBINFHSA-N 437.239 4.077 5 20 IIBD O=C(NCc1cnn(-c2ccc(Br)cc2)c1)Nc1ccc([N+](=O)[O-])cc1F 447100310 KIXWCIUXVJLFLS-UHFFFAOYSA-N 434.225 4.004 5 20 IIBD Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 463880150 YENCLWKJVBFXLW-MRXNPFEDSA-N 449.511 4.584 5 20 IIBD COc1cccc(C(=O)N2CCOc3c(Cl)cc(Br)cc32)c1[N+](=O)[O-] 464664507 DKAVDWXPNRLFLD-UHFFFAOYSA-N 427.638 4.059 5 20 IIBD CC[C@H](C)Oc1cc(C)ccc1CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 464994370 NWWVHMSQKDGJFG-DOTOQJQBSA-N 445.541 4.063 5 20 IIBD Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 465040506 ZAMVHQCDAXWOGC-UHFFFAOYSA-N 447.447 4.108 5 20 IIBD C[C@@H](CN1CCCC1=O)NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 466217851 RGVKMWPHSOMBSO-ZDUSSCGKSA-N 433.917 4.140 5 20 IIBD COc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 466960944 DTJITVPCOAKRKF-UHFFFAOYSA-N 447.494 4.026 5 20 IIBD CCOC(=O)c1cc(NCc2cc(Br)c(OC)c(OC)c2)ccc1[N+](=O)[O-] 467791141 ZZXICCKRQVWIID-UHFFFAOYSA-N 439.262 4.163 5 20 IIBD O=C(C[C@H]1CCCN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccco1 468247040 MUGUTZAJBPTCLM-CQSZACIVSA-N 439.390 4.273 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C(C)(C)C)c3ccccc32)cc1OC 470275270 WDNHFVHMDRYDOT-QGZVFWFLSA-N 428.485 4.419 5 20 IIBD CCc1ccc(C(=O)Nc2cc(F)c(F)cc2I)cc1[N+](=O)[O-] 471426165 XKZYFJJWRGMQGS-UHFFFAOYSA-N 432.164 4.292 5 20 IIBD O=C(CCc1cnc2ccccc2c1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 471629626 UWWRCEBPCQTOFG-UHFFFAOYSA-N 432.402 4.323 5 20 IIBD COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 472642119 MGGVOWSZWIJKGO-QGZVFWFLSA-N 437.855 4.238 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N(Cc1ccc2c(c1)OCO2)C1CCCCC1 476872362 LBMLENPJDWKDGD-UHFFFAOYSA-N 448.479 4.484 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2nc3cc(Cl)ccc3s2)cc1OC 477339147 GMXIGWHTCABIKL-UHFFFAOYSA-N 437.861 4.144 5 20 IIBD CCCc1cc(C(=O)N2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)sc1C 478092442 UGAFWRUDXHRQMY-UHFFFAOYSA-N 427.530 4.146 5 20 IIBD COc1ccc(CCN(CC(C)C)C(=O)NCc2cccc([N+](=O)[O-])c2C)cc1OC 480058881 OFYZXIHQBPLBIW-UHFFFAOYSA-N 429.517 4.331 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl 481980827 YGHNUUSPTFFNEY-UHFFFAOYSA-N 439.921 4.146 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(N2CCCC2=O)c(F)c1 483007909 ACFHLOSMAGEPJA-UHFFFAOYSA-N 429.451 4.059 5 20 IIBD CNC(=O)c1cc(Oc2ccc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2F)ccn1 484896933 YUQDWJJNRWUIDO-UHFFFAOYSA-N 444.806 4.187 5 20 IIBD CC(C)c1c(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)cnn1-c1ccccc1 486088849 KANABHIWVUNMPH-UHFFFAOYSA-N 437.481 4.253 5 20 IIBD CSc1cccc(C(=O)N[C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)c1[N+](=O)[O-] 486418036 RVNABMQRWRLUMS-QVKFZJNVSA-N 430.526 4.372 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C(=O)N2CCSCC2)c1 488646845 YNDUIJCEGZKDTF-UHFFFAOYSA-N 431.539 4.148 5 20 IIBD O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 489272755 BCQQPHVOHWLDCW-OWJWWREXSA-N 434.442 4.467 5 20 IIBD O=C(Nc1cc(Br)cnc1O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 492181175 LXVGASZXQMQTBE-UHFFFAOYSA-N 443.257 4.322 5 20 IIBD C[C@H](Nc1cccc(NC(=O)C2CC2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 493573072 NLSGRFHYOQEBDX-NSHDSACASA-N 436.390 4.401 5 20 IIBD COc1ccc(CNC(=O)NCC2(N[C@H](C)c3ccccc3)CCCC2)cc1[N+](=O)[O-] 502815922 XIERHIGZZAZYLF-QGZVFWFLSA-N 426.517 4.066 5 20 IIBD Cc1c(CC(=O)Nc2cc(C)n(CCCOc3ccc(F)cc3)n2)cccc1[N+](=O)[O-] 504353098 HDKGKSPCZAUPKU-UHFFFAOYSA-N 426.448 4.198 5 20 IIBD CC[C@H](CC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1 504495087 CJUONVXCONXOKA-CQSZACIVSA-N 445.522 4.407 5 20 IIBD COc1ccc(CN2CCN(c3ccc(O)cc3)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 505324206 ACHAMTZWJOIZCB-UHFFFAOYSA-N 449.507 4.210 5 20 IIBD O=C(CN[C@H](CCO)c1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)cc1[N+](=O)[O-] 512209859 CZIUYFQSBBFAKZ-CQSZACIVSA-N 432.691 4.207 5 20 IIBD Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 512750870 YLAWCILPLRLZTJ-SNVBAGLBSA-N 431.802 4.412 5 20 IIBD C[C@@H]1COCCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)C1 513972417 BYUAMPVWEQPARS-LIRRHRJNSA-N 448.317 4.005 5 20 IIBD O=C(Nc1ccnn1Cc1cccc2ccccc12)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 514574835 ZWFQUYHHITWTQX-UHFFFAOYSA-N 438.447 4.431 5 20 IIBD O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCc1cccc(Oc2ccc3ccccc3c2)c1 518232379 SGMCLBFJAHMBQQ-UHFFFAOYSA-N 429.432 4.018 5 20 IIBD Cc1cccc(CN(CC(C)C)C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c1 518907103 LTQVAPNITLAEOI-GOSISDBHSA-N 429.542 4.254 5 20 IIBD CCOc1cc2c(cc1NC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])O[C@H](C)C2 519095188 GDCXGDADNDHROQ-SNVBAGLBSA-N 438.383 4.179 5 20 IIBD Cc1c(NC(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cccc1[N+](=O)[O-] 520041877 RVZWKCUZVHJDNV-UHFFFAOYSA-N 437.525 4.376 5 20 IIBD CCOc1cc(NC(=O)C2=Cc3cccc(OCC)c3OC2)c([N+](=O)[O-])cc1OCC 524290377 JLUPAEWEZLSTBD-UHFFFAOYSA-N 428.441 4.205 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1 524379466 GDZBMPDOIOVAJX-UHFFFAOYSA-N 443.456 4.024 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N(CC2CCC2)c2ccccc2)c(Br)c1 532610802 DGFUZKVFHOVFJI-UHFFFAOYSA-N 425.304 4.353 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 533276110 ZLZXYWGNMSIRGU-ZMZPIMSZSA-N 442.274 4.441 5 20 IIBD CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1=O 534766190 SKALLRZYCFHFFF-OAQYLSRUSA-N 440.843 4.261 5 20 IIBD O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 535458194 GFWFBCAWLCHVEE-UHFFFAOYSA-N 449.427 4.172 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[C@@H](OCc2ccccn2)C1 535510734 KUUFZKZGASBEEX-OAHLLOKOSA-N 429.274 4.096 5 20 IIBD CN1CCC(N(C)c2ccccc2CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC1 536678557 GPXWUDLFPYCOCJ-UHFFFAOYSA-N 438.572 4.169 5 20 IIBD COCCn1ccc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)cc21 537740066 VTQUBJATYCQNIT-UHFFFAOYSA-N 443.403 4.016 5 20 IIBD C[C@@H]1Sc2ccc(C(=O)N(C)c3nc(-c4ccccc4[N+](=O)[O-])cs3)cc2NC1=O 538253355 ZJQBFILLVNKPBL-NSHDSACASA-N 440.506 4.428 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2CCN(C(C)C)CC2)CC1 539661152 FHXSUQNLTLZJMH-UHFFFAOYSA-N 448.633 4.118 5 20 IIBD Cc1nc(-c2ccccc2)sc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 542206145 TVXMDCKSOBRXJW-AWEZNQCLSA-N 442.522 4.332 5 20 IIBD CCOc1cc(NC(=O)N2CCC(Oc3cc(C)ccn3)CC2)c([N+](=O)[O-])cc1OCC 542922626 GLPJYTJAOJFQQP-UHFFFAOYSA-N 444.488 4.171 5 20 IIBD COc1cccc(-c2noc([C@H](C)NCCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)n2)c1 543541307 BSOXCBCXZRBLJB-AWEZNQCLSA-N 435.440 4.202 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCO[C@@H](CCc2ccccc2)C1 544569984 NSAACVVAPYFPBL-KRWDZBQOSA-N 438.402 4.010 5 20 IIBD CCCN(CC(=O)O)C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 544617539 QEAFHALPRRTFTH-VBKFSLOCSA-N 439.493 4.458 5 20 IIBD O=C1C[C@@H](c2noc(Cn3c4ccccc4c(=O)c4ccccc43)n2)CN1c1ccccc1 544933227 OOXXMSZOROIBHP-QGZVFWFLSA-N 436.471 4.107 5 20 IIBD CCOc1ccc([C@@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc2)cc1 546094308 ULVMPPRSLZGQCI-QFIPXVFZSA-N 426.494 4.203 5 20 IIBD Cc1cc(C)n(-c2ccc(Cc3noc(-c4ccn(-c5ccc([N+](=O)[O-])cc5)n4)n3)cc2)n1 546247286 QMJLSUUWONRRGJ-UHFFFAOYSA-N 441.451 4.224 5 20 IIBD O=C(Nc1cccc(-c2noc(-c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)n2)c1)C1CCC1 546980611 IGLVYHZGCKCPAP-UHFFFAOYSA-N 430.424 4.236 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC2(CCN(Cc3ccccc3)C2)CC1 549129302 RQTDQTZLVDYLBD-UHFFFAOYSA-N 446.555 4.366 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N(CCO)CC1CC1 550503541 QCPKKCHSSAKIHF-AQTBWJFISA-N 437.521 4.366 5 20 IIBD CCc1ccc([C@H](N[C@H]2CCCN(C(=O)N3CCCC3)C2)c2ccc([N+](=O)[O-])cc2)o1 552090802 UWFIBDSAIITSMA-PGRDOPGGSA-N 426.517 4.109 5 20 IIBD O=C(Nc1cc(F)c(Br)c(Cl)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 552385866 NZJKWLKSYHBLLU-UHFFFAOYSA-N 431.601 4.173 5 20 IIBD COc1cc(CNc2ccc(C(=O)N(C)C)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 556617336 INNWVFLEEDOHJV-UHFFFAOYSA-N 435.480 4.496 5 20 IIBD C[C@@H]1CN(c2cccc(F)c2)CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 557915661 VPJLGEUPFPFVAF-CQSZACIVSA-N 426.473 4.208 5 20 IIBD O=C(Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 562189792 UQRQGQPGQLRPAN-UHFFFAOYSA-N 442.357 4.237 5 20 IIBD COc1ccc(NC(=O)N2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)cc1[N+](=O)[O-] 564164371 FCTJRVNMRSUAMV-QGZVFWFLSA-N 441.362 4.107 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CC[C@H](n4cc(Cl)cn4)C3)c([N+](=O)[O-])c2)cc1 564575890 PJJPEHMPPPBJRM-SFHVURJKSA-N 425.876 4.457 5 20 IIBD COc1cc(CN[C@@H]2c3ccccc3CC23CCOCC3)c([N+](=O)[O-])cc1OCC(F)F 566884398 IHAJIVOFRKESAP-JOCHJYFZSA-N 448.466 4.431 5 20 IIBD Cc1cnc(-c2cnn(C)c2NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)o1 578369102 VDFRDXAEMULNDQ-KBPBESRZSA-N 438.488 4.026 5 20 IIBD Cn1c(C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])cc2ccccc2c1=O 579697395 UAAGLHIQPWFHFJ-UHFFFAOYSA-N 429.432 4.278 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(F)c(N2CCCNC2=O)c1 584078295 AEPJNIJVPIOMKE-UHFFFAOYSA-N 438.868 4.038 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2c2nc(CCn3ccc4ccccc43)no2)ccc1[N+](=O)[O-] 589144286 KFFLTMXUYJSKOY-OAQYLSRUSA-N 445.479 4.461 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NCCOc1ccccc1F 603473462 HPODNMGQHMFVKS-UHFFFAOYSA-N 431.445 4.026 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)c1c(C)nc(-c2ccc(F)cc2)nc1SC 603750601 SAJNTUBQFMKIIW-UHFFFAOYSA-N 428.445 4.482 5 20 IIBD COc1ccc([C@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c2ccccc2)cc1 603926765 GSWGBFMHMLLLLJ-HSZRJFAPSA-N 428.448 4.309 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C 604465572 YUPNHJHYGFVBNZ-MRXNPFEDSA-N 431.514 4.027 5 20 IIBD O=C(CSc1ccccc1C(=O)NCc1cccc([N+](=O)[O-])c1)NCC1CCCCC1 604471368 VXZMLOIHVAYAIJ-UHFFFAOYSA-N 441.553 4.313 5 20 IIBD COC(=O)c1cc(C(=O)Nc2c(C)cnn2[C@H]2CCCc3ccccc32)cc([N+](=O)[O-])c1 604537422 ZWWAIGUYGJURLY-FQEVSTJZSA-N 434.452 4.064 5 20 IIBD COc1cccc2c1OCC[C@H]2NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 604571018 RBUVULSKZBMEOW-OAQYLSRUSA-N 433.464 4.469 5 20 IIBD CCOc1ccc([C@@H](NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 608876273 ITUADKCFMJJSRA-HXOBKFHXSA-N 447.491 4.018 5 20 IIBD O=C(Nc1cc(F)ccc1N1CCCCC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 608893865 XYWHIRMRJYRVOI-UHFFFAOYSA-N 427.480 4.078 5 20 IIBD COCCN(C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H](C)c1cccc(C(F)(F)F)c1 609010600 LWNOFMKVCDHYJH-CQSZACIVSA-N 440.418 4.401 5 20 IIBD CC[C@H](C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1C)C(=O)Nc1cccc(N2CCCC2)c1 609028688 CCILPLNSSLJKSQ-AOMKIAJQSA-N 438.528 4.287 5 20 IIBD O=C(N[C@@H]1CCc2c(O)cccc21)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 609091905 DZBMMYDJMUJYJO-QGZVFWFLSA-N 449.429 4.339 5 20 IIBD Cc1ccc(Oc2ccccc2CNC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 609307242 DMJZCKUAJCGRTM-KRWDZBQOSA-N 433.464 4.130 5 20 IIBD O=C(Nc1nnc(-c2cccc(Cl)c2)s1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609550888 IPXXKPNUYOZIQL-UHFFFAOYSA-N 427.829 4.273 5 20 IIBD O=C(NCC1(c2cccc(Br)c2)CC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 609646189 JGAUKKZMUNLMNG-UHFFFAOYSA-N 441.285 4.005 5 20 IIBD CC[C@@H]1CCCN(C(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 609763377 TXJJFGGNGOZVOF-MRXNPFEDSA-N 431.514 4.048 5 20 IIBD CC(C)(Cc1ccccc1)C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 609783040 PLOSQYPTPHCOQY-UHFFFAOYSA-N 445.522 4.092 5 20 IIBD CCc1nc([C@@H]2CCCCN2C(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)no1 609975203 KJPZADABLABWIU-FCEWJHQRSA-N 441.532 4.390 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(=O)n(Cc2ccccc2Cl)c1 610047186 OCBQCVLOGGLHGF-UHFFFAOYSA-N 439.899 4.211 5 20 IIBD COc1ccc(N(Cc2ccco2)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1F 610051819 NJBKUDGBMPXOOQ-UHFFFAOYSA-N 436.399 4.368 5 20 IIBD Cc1ccc(NCCCNC(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 610090290 YDJNMXPKDHJJIO-SIKLNZKXSA-N 426.517 4.172 5 20 IIBD CCCCS(=O)(=O)Nc1ccc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 610127961 NKSXUIIHBVMPKN-AWEZNQCLSA-N 437.543 4.256 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 610598015 OXKRYIHFRPIANJ-CHWSQXEVSA-N 439.356 4.010 5 20 IIBD CCc1c(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cnn1CC(C)C 611139233 BUBJTBOCHNEEIW-UHFFFAOYSA-N 427.427 4.469 5 20 IIBD CN(C)CCOc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611202278 NKZJDLUTZPQEET-UHFFFAOYSA-N 443.569 4.500 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(C(=O)NC2CC2)cc1 611537821 WRRGMRCGDOUHRD-UHFFFAOYSA-N 427.526 4.261 5 20 IIBD O=C1C[C@@H](C(F)(F)F)N(C(=O)CSc2ccc([N+](=O)[O-])cc2F)c2ccccc2N1 613525957 HKRDDCMOKFZFJS-HNNXBMFYSA-N 443.378 4.132 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@H](Cn2cnc3ccccc32)C1 619544531 MRWNLGHGKQCEGZ-AWEZNQCLSA-N 430.411 4.098 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 725818440 MAZIBWAGVYWKTB-LBPRGKRZSA-N 437.930 4.426 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])c(Br)c1 725937299 PUYSUKMJYBVHCI-SECBINFHSA-N 443.200 4.128 5 20 IIBD O=C(COC(=O)c1csc(Cc2ccc(F)cc2)n1)Nc1cc([N+](=O)[O-])ccc1Cl 727021537 XBKSORVZVMIEPX-UHFFFAOYSA-N 449.847 4.230 5 20 IIBD CCCC[C@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(OC)cc1 728753247 WFDNJWZDONPPDS-QFIPXVFZSA-N 426.517 4.367 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)OCc1csc(C2CCCCC2)n1 730627033 CMKIFRPRUSEZGF-UHFFFAOYSA-N 434.470 4.042 5 20 IIBD CC(C)COc1ccc(C(C)(C)C(=O)OCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 730874114 PGGUOEANHURBBV-UHFFFAOYSA-N 440.496 4.040 5 20 IIBD CN(C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 730920376 LRWYWZSDIPHXHX-QZTJIDSGSA-N 444.896 4.352 5 20 IIBD O=C(COC(=O)c1csc(-c2ccoc2)n1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 731090713 HZCOFOXVSBSCLA-UHFFFAOYSA-N 441.343 4.126 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)OCc2nc(C3CC3)no2)cc1[N+](=O)[O-] 733379482 DRDLQWQDUJRXDN-UHFFFAOYSA-N 439.449 4.165 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(N3CCC(C(=O)Nc4ccc(F)c(Cl)c4)CC3)cc2N1 733791783 CZCIIMKRZONBJA-UHFFFAOYSA-N 446.866 4.127 5 20 IIBD C[S@@](=O)Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)ccc1Cl 734403704 WAAWSJMQAUGQBK-XMMPIXPASA-N 431.695 4.142 5 20 IIBD COc1ccc(NC(=O)COC(=O)C[C@@H](C)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 738746014 WRGOIHSPYCOJHW-GFCCVEGCSA-N 440.374 4.298 5 20 IIBD O=C(N[C@H](C(=O)OCc1cc(F)ccc1[N+](=O)[O-])c1ccccc1)OCc1ccccc1 738746712 ZAGZZEKUKOOSKS-NRFANRHFSA-N 438.411 4.445 5 20 IIBD CC[C@H](C)NC(=O)[C@@H](C)OC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 741828351 GAWJBRXLCZGJJY-UONOGXRCSA-N 444.509 4.008 5 20 IIBD Cn1c(SCC(=O)c2cnn(-c3ccccc3)c2)nc2cc3ccccc3cc2c1=O 742450181 YVWRNLQIRUAOBA-UHFFFAOYSA-N 426.501 4.247 5 20 IIBD Cc1cc(O)nc(-c2cccc(OC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])c2)n1 744217386 UDZFNVGSUGUHCD-UHFFFAOYSA-N 449.341 4.226 5 20 IIBD COc1ccc(CSCC(=O)O[C@H](C)c2nc(-c3ccccc3)no2)cc1[N+](=O)[O-] 744695217 IDWUDTWIAVQRHX-CYBMUJFWSA-N 429.454 4.191 5 20 IIBD C[C@@H](OC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 744884672 USJFVWOOOKGQKG-CZUORRHYSA-N 446.460 4.039 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1 745138416 NNEMTISLAFKUAJ-UHFFFAOYSA-N 428.485 4.401 5 20 IIBD Cc1c(C(=O)Nc2ccccc2CC(=O)OC(C)(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 745982593 ZJKNPHMZTBXINU-UHFFFAOYSA-N 429.429 4.256 5 20 IIBD CN(C)CCOc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cc1 749421931 KNQJYMQRRFQQEW-UHFFFAOYSA-N 442.697 4.203 5 20 IIBD O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCN(Cc2csc(-c3ccccc3)n2)CC1 749882435 FWWQCPIAOBZRDI-UHFFFAOYSA-N 442.928 4.330 5 20 IIBD Cc1sc2ncn(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])c(=O)c2c1-c1ccccc1 750157108 VMSNXIADKVZIAM-UHFFFAOYSA-N 440.868 4.379 5 20 IIBD C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1 751666497 KJHQCIANOXTLER-NSHDSACASA-N 447.241 4.451 5 20 IIBD Cc1cc(-c2nc([C@H](CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)no2)cc([N+](=O)[O-])c1 752855707 XYEWGZAFTOSNBP-HNNXBMFYSA-N 448.476 4.251 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2C)cc1[N+](=O)[O-] 753957030 IICOIMWNWDHJHV-UHFFFAOYSA-N 437.474 4.060 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)N1CCC[C@@H]1c1cccs1 754985079 ROUQNZIMAWCRIY-IINYFYTJSA-N 426.853 4.358 5 20 IIBD CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 756988238 DIQWOJIOWIHWKK-GOSISDBHSA-N 433.892 4.000 5 20 IIBD Cc1ccc(-c2ncco2)cc1NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 759102731 LLBPJORABGTBKF-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD O=C(OCCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 761365360 ZLZBKTIWBNXALB-UHFFFAOYSA-N 449.394 4.075 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCc2c(Br)ccc(Cl)c2C1 766657646 RVTAJBFBCDGCIK-UHFFFAOYSA-N 443.656 4.114 5 20 IIBD Cc1cn(-c2ccccc2Cl)nc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 767064142 ANBGVPUFHPILTQ-UHFFFAOYSA-N 449.250 4.191 5 20 IIBD O=C(C[C@@H]1CCCCCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccco1 767871407 ZGPIEEMFESJDQX-AWEZNQCLSA-N 426.878 4.048 5 20 IIBD Cc1ccc(C(=O)NC2CCN(Cc3c(Br)cccc3[N+](=O)[O-])CC2)s1 769192038 GZGDJPXWKIWVFP-UHFFFAOYSA-N 438.347 4.122 5 20 IIBD Cc1cnn(Cc2ccccc2F)c1NC(=O)c1cc([N+](=O)[O-])ccc1Br 769495866 VXDVHHFSYNHWNJ-UHFFFAOYSA-N 433.237 4.302 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CN3CCOC[C@H]3C[C@@H](O)c3cccs3)cs2)c1 770304250 MDGKFYHXOVQCPG-QZTJIDSGSA-N 431.539 4.104 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CN3CCOC[C@@H]3C[C@@H](O)c3ccccc3)cs2)c1 770350244 GKHPMAIVXQBVJD-LEWJYISDSA-N 425.510 4.043 5 20 IIBD COc1cc(COC(=O)c2nn(-c3ccccc3)cc2C)c([N+](=O)[O-])cc1OC(F)F 770612702 NKNJPCSVOMPWEC-UHFFFAOYSA-N 433.367 4.056 5 20 IIBD Cc1c(C(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])nnn1-c1cccc(Cl)c1 776136692 LAQBBBFYMABOIS-NRFANRHFSA-N 449.854 4.479 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O 778781158 WMNXINHBRJDRAN-UKRRQHHQSA-N 447.285 4.323 5 20 IIBD COC(=O)c1ccc(COC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1F 781256026 JRZBHLFFMSFFTC-UHFFFAOYSA-N 441.361 4.242 5 20 IIBD CC(C)(C)OC(=O)N1Cc2ccc(CNC(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)cc2C1 781590845 RMRCIOOYASUHMN-UHFFFAOYSA-N 447.438 4.254 5 20 IIBD C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 782535405 GAKMJCRAFFBMMF-WCQYABFASA-N 445.829 4.128 5 20 IIBD C[C@H](OC(=O)CCOc1ccccc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 789352492 HMPHCZCPWACYKD-AWEZNQCLSA-N 441.465 4.058 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N(CCO)Cc3cccnc3Cl)c([N+](=O)[O-])c2)cc1 795283719 RVEWZJZSLWNWSD-UHFFFAOYSA-N 440.887 4.203 5 20 IIBD Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 797083285 BUKCPMICBUIKHS-IEBWSBKVSA-N 449.429 4.292 5 20 IIBD Cc1c(C(=O)N(Cc2ccc(Cl)cc2)Cc2cnn(C)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 797584649 VJJHGEYWGSVJQQ-UHFFFAOYSA-N 443.847 4.041 5 20 IIBD O=C(COC(=O)COc1cc(Cl)ccc1Cl)Nc1cc(Cl)ccc1[N+](=O)[O-] 798092287 SBKAYOKLBOIAHR-UHFFFAOYSA-N 433.631 4.116 5 20 IIBD Cc1ccc([C@H](NC(=O)COC(=O)c2cc([N+](=O)[O-])cc(C)c2F)c2cccs2)cc1 803463014 ZJAITDBZMIRVOV-NRFANRHFSA-N 442.468 4.475 5 20 IIBD C[C@@H](c1ncc(Br)cn1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 805756016 POMQGPQPNXPZKC-VIFPVBQESA-N 442.111 4.029 5 20 IIBD CCOC(=O)Nc1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cc1 809815791 RWGZMYPRQOHXOL-UHFFFAOYSA-N 435.241 4.238 5 20 IIBD CN(CCCOCc1ccccc1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 809843999 SQDODUSEIQBETR-UHFFFAOYSA-N 433.313 4.129 5 20 IIBD C[C@H](Sc1ccccc1C(=O)OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(N)=O 811086314 SJUBYFHBGBJPGQ-VIFPVBQESA-N 429.281 4.225 5 20 IIBD CCN1CCN(Cc2ccc(CNCc3cc(Cl)cc(Cl)c3[N+](=O)[O-])cc2)CC1 811474599 NCKGZISSXJDYJU-UHFFFAOYSA-N 437.371 4.329 5 20 IIBD O=C(O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)c1ccc(OCc2cccnc2)cc1 813172660 PSRWUQIKSHLSIR-QHCPKHFHSA-N 433.464 4.000 5 20 IIBD C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[C@H](c2cccc(C(F)(F)F)c2)O1 813627473 GJJYGCQVVTVPBT-CWTRNNRKSA-N 435.402 4.465 5 20 IIBD Cc1c(CC(=O)N2CCC[C@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cccc1[N+](=O)[O-] 814428730 NCNVLTMXVYWCOA-PMACEKPBSA-N 445.560 4.331 5 20 IIBD CN(C)S(=O)(=O)c1ccc(NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 863991688 XLCHYNXSNMMZNR-UHFFFAOYSA-N 445.472 4.389 5 20 IIBD O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1cc2ccccc2nc1N1CCCCC1 912754180 ZMATWHUVCWOKJX-QNGOZBTKSA-N 428.448 4.478 5 20 IIBD COc1ccc(CSCC(=O)O[C@H](C)C(=O)Nc2c(C)cccc2C)cc1[N+](=O)[O-] 914916107 KRBUZVSQGCIZRF-OAHLLOKOSA-N 432.498 4.024 5 20 IIBD CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 915511187 ACNKRIRCTXKVRM-CVEARBPZSA-N 436.468 4.478 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 916535815 KJSDPNBYWJCZQG-HUUCEWRRSA-N 444.484 4.239 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)OCc1c(Cl)nc(Cl)n1-c1ccccc1 917952335 JWXJIZMSSCDHGN-UHFFFAOYSA-N 446.250 4.180 5 20 IIBD Cc1c(C(=O)O[C@H](C(=O)NCc2ccccc2)c2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 919226599 ANWMNQZWVKQYAU-NRFANRHFSA-N 449.419 4.026 5 20 IIBD Cc1nn(CCc2nnc(-c3cc(-c4ccncc4)nc4ccccc34)o2)c(C)c1[N+](=O)[O-] 1117207570 DURVZEGPENZELB-UHFFFAOYSA-N 441.451 4.311 5 20 IIBD CC(C)c1ccc(C2(C(=O)N3CCN(C(=O)c4ccc([N+](=O)[O-])s4)CC3)CCC2)cc1 1318131410 ZEKJSHXFYMHSJD-UHFFFAOYSA-N 441.553 4.186 5 20 IIBD O=Cc1ccc(-c2ccc(C(=O)OCC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])cc2)o1 1318362136 JNWCKJSBMSOLOJ-UHFFFAOYSA-N 428.784 4.116 5 20 IIBD C[C@@H](C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc(F)cc1F 1319086737 QFCJBKOLAAUODI-GFCCVEGCSA-N 443.372 4.344 5 20 IIBD CCOC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1)C1CC1 1327475985 UUUZXEOUJQTCGK-IBGZPJMESA-N 448.859 4.121 5 20 IIBD Cc1cc(Cl)ccc1OCCCc1nnc(-c2cc([N+](=O)[O-])cc3c2OCCO3)o1 1328174799 MWKRYUMMXNMTPS-UHFFFAOYSA-N 431.832 4.389 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)Oc1ccc(OCc2nc(C(C)(C)C)no2)cc1 1516697425 XBRXZJLAKGYITD-UHFFFAOYSA-N 426.429 4.115 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@@H]3CC3(F)F)CCC2)cc1)c1cccc(F)c1[N+](=O)[O-] 1790700922 BDAUAUNPMQGHAK-HNNXBMFYSA-N 433.386 4.137 5 20 IIBD C[C@@]1(C(=O)Nc2ccc(C3(NC(=O)c4ccc(O)c([N+](=O)[O-])c4)CCC3)cc2)CC1(F)F 1792246616 GFIUPIISGPHZBY-FQEVSTJZSA-N 445.422 4.093 5 20 IIBD Cc1csc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])C3)c1 1793742788 NMNUAIPCRBTKCH-BJWYYQGGSA-N 447.944 4.113 5 20 IIBD CCCCC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc([N+](=O)[O-])c(O)cc1C 1800803459 WUTPXAYQPMMESG-NRSFXHEJSA-N 431.533 4.077 5 20 IIBD CC(C)(C)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1826338899 ZVHGHERVWBQPOK-LJQANCHMSA-N 433.524 4.403 5 20 IIBD CC[C@H](C)CC(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 1831288953 LWDGAYVMHQGASE-HTAPYJJXSA-N 447.551 4.332 5 20 IIBD CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 10949744 HADCGIZUZXSYCS-DDUZABMNSA-N 426.897 4.207 5 20 IIBD Cc1ccc(-c2nc(C)sc2CC(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 11214176 WMIMDQMUTYWNBJ-CQSZACIVSA-N 439.493 4.448 5 20 IIBD CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 15390231 SDRUTTAQDQGCEN-UHFFFAOYSA-N 445.884 4.326 5 20 IIBD CCOC(=O)c1cc(C(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])c1 16664980 FEDHHGZLDQKTIU-UHFFFAOYSA-N 426.208 4.118 5 20 IIBD CCn1c(SCC(=O)Nc2cc(OC)ccc2OC)nc2cc3ccccc3cc2c1=O 22177778 JVQOSHQHGXDSLK-UHFFFAOYSA-N 449.532 4.318 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1sccc1C 26730531 FHPMSOWTLZEOJR-UHFFFAOYSA-N 433.511 4.386 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCCC[C@@H]3C)cc2)cc1[N+](=O)[O-] 31383975 ABRNEUXEGXYYOC-MGPUTAFESA-N 445.541 4.355 5 20 IIBD CCOc1cc(NC(=O)C(=O)N[C@@H](CC)c2cccc(Cl)c2)c([N+](=O)[O-])cc1OCC 62087742 AISZUDRRJVPCRH-HNNXBMFYSA-N 449.891 4.252 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC1CCN(Cc2ccccc2)CC1 64740280 MUOSJDVKQQWHAH-MRXNPFEDSA-N 431.920 4.044 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 96979032 XSRADLJGKIIDNV-UHFFFAOYSA-N 432.864 4.419 5 20 IIBD O=C(NCc1cccc(COc2ccccc2)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 108392718 UBIDLYLWWAQDFD-UHFFFAOYSA-N 428.448 4.290 5 20 IIBD O=C(c1ccoc1)N1CCC(NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 110464000 UWOLPNNCHRDALT-UHFFFAOYSA-N 429.860 4.496 5 20 IIBD COc1cc(CNCc2ccc(NC(C)=O)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 218258899 HHDHIFXDOXNANU-UHFFFAOYSA-N 435.480 4.431 5 20 IIBD COc1cc(CNCc2cccc(NC(C)=O)c2)c([N+](=O)[O-])cc1OCc1ccccc1 237114835 INFACQJKFKUONY-UHFFFAOYSA-N 435.480 4.431 5 20 IIBD Cc1ccc(CNCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)cc1[N+](=O)[O-] 237883016 DDCOHFWMXGSALK-UHFFFAOYSA-N 435.503 4.054 5 20 IIBD Cc1csc([C@H](NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C2CC2)n1 304074126 UWNIJIVOKVFYJS-MRXNPFEDSA-N 428.436 4.448 5 20 IIBD O=C(NCCn1cc([N+](=O)[O-])cn1)Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1 426121141 XSGVTYIZOMSWKC-UHFFFAOYSA-N 449.389 4.211 5 20 IIBD C[C@H](C1CC1)n1cc(NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cn1 428195470 OAEKSZWWOGEBHO-OAHLLOKOSA-N 447.495 4.312 5 20 IIBD Cc1cc(OCC(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)ccc1[N+](=O)[O-] 430553160 KWOSMZQKZUJQNQ-UHFFFAOYSA-N 446.525 4.168 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)cc1OC 431153407 VILRVBAJYDRMIL-SWLSCSKDSA-N 435.274 4.051 5 20 IIBD Cc1ccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1N1C(=O)CCC1=O 436410470 CMWWPNZXOIXUPV-UHFFFAOYSA-N 443.434 4.035 5 20 IIBD O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437158573 CECBNACUHRLJRD-UHFFFAOYSA-N 431.374 4.461 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H](C)c1ccc(C(F)(F)F)cc1 439715618 PIFZMPYQXISXHS-GFCCVEGCSA-N 439.390 4.170 5 20 IIBD C[C@@H](c1ccncc1)N1CCC(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 439740757 PWOLSXHLSPEDLE-HNNXBMFYSA-N 437.525 4.069 5 20 IIBD O=C(NCC(=O)N1CCc2ccccc2C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 440720884 AMTOEBMDJYRRQB-UHFFFAOYSA-N 447.516 4.061 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccc(OCCOc2ccccc2)nc1 443948541 NEXILQCICKEZPI-UHFFFAOYSA-N 436.468 4.386 5 20 IIBD O=C(Nc1cccc(N2CCCNC2=O)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444099684 LFTZBJQYRXTNBV-UHFFFAOYSA-N 448.429 4.132 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCC(O)(Cc2ccc(F)cc2)CC1 444336054 JLWQXANKTVFHAH-UHFFFAOYSA-N 448.469 4.169 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 445221133 OCFMCEMWRSLZKF-HNNXBMFYSA-N 425.342 4.103 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cncc(-c4ccc5c(c4)CCO5)c3)n2)c1 445574400 LUGPUODJVOOXFY-UHFFFAOYSA-N 430.420 4.241 5 20 IIBD Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1Cc1nc(-c2c([N+](=O)[O-])ncn2C)no1 445582291 HIOOIBQOFRJNQA-UHFFFAOYSA-N 448.270 4.078 5 20 IIBD CCN(C(=O)Cc1noc([C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n1)c1ccccc1 445676006 MMZIXPZOZKPXTR-ZDUSSCGKSA-N 430.848 4.367 5 20 IIBD COc1nc(C)c(Br)cc1-c1noc([C@@H](C)c2ccc([N+](=O)[O-])cc2F)n1 446008788 CUKQGCIJOLUAIT-QMMMGPOBSA-N 437.225 4.410 5 20 IIBD O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1sc(Br)cc1[N+](=O)[O-] 446024555 SRPQTFDYVWSZQF-LBPRGKRZSA-N 437.275 4.399 5 20 IIBD COc1cc(CS(=O)(=O)Cc2ccc(C)cc2Cl)c([N+](=O)[O-])cc1OC(F)F 447164070 YHWAXKOKBYXRPR-UHFFFAOYSA-N 435.832 4.282 5 20 IIBD COc1ccc(-c2nc(C)c(C(=O)NCCc3ccccc3[N+](=O)[O-])s2)cc1OC 460490822 GZEYCTBQXHLOPH-UHFFFAOYSA-N 427.482 4.016 5 20 IIBD CCOc1cc(NC(=O)c2c(OC)ccc(SC)c2OC)c([N+](=O)[O-])cc1OCC 460753437 CQPWVWICCUDHPQ-UHFFFAOYSA-N 436.486 4.384 5 20 IIBD O=C(N[C@H]1CCCc2occc21)c1cc(C(=O)N[C@H]2CCCc3occc32)cc([N+](=O)[O-])c1 460868128 ASXZKFJZWPSMNE-PMACEKPBSA-N 449.463 4.396 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])c1nnc(-c2ccccc2F)n1C[C@H]1CCCCO1 461832145 JYMGRQHYGATYAG-GOSISDBHSA-N 439.491 4.240 5 20 IIBD C[C@H](CC(F)(F)F)NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 464270165 YYLOTSFQCDVKKM-SNVBAGLBSA-N 427.345 4.287 5 20 IIBD CN(CCc1cccs1)C(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 464353284 FOEZBEALFLNPTG-UHFFFAOYSA-N 437.521 4.268 5 20 IIBD CC(C)(C)c1nc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc34)cc2[nH]1 464410582 NFIFVJLMXSAMIU-UHFFFAOYSA-N 425.470 4.118 5 20 IIBD C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464641263 XPMNEHYVKJCWOL-CQSZACIVSA-N 449.301 4.195 5 20 IIBD Cc1sc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])nc1-c1ccc2c(c1)CCC(=O)N2 466609668 IXZOVRANVFUIGA-UHFFFAOYSA-N 426.429 4.303 5 20 IIBD O=C(C[C@H]1CCCCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccco1 469052883 RJCSSLQPSXDAOG-GOSISDBHSA-N 425.485 4.446 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccccc1Cl 469436188 KXFVPICBIQQCDH-HXUWFJFHSA-N 429.860 4.029 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@H]2CCCC[C@@H]2n2cccn2)cc1[N+](=O)[O-])c1ccccn1 470679590 QILPSHVDDRZYSM-LRQRDZAKSA-N 434.500 4.273 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H]1CCCC[C@H]1n1cccn1 470685168 XLFZFSKGDQMSQX-ZIAGYGMSSA-N 428.436 4.202 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@@H](OC)c1ccc(Br)cc1 471097455 DLDHVCGYQPLTQV-KZULUSFZSA-N 437.290 4.262 5 20 IIBD CN(C)CC1CCN(c2ccccc2NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 471223255 PMQPTVBLPFODBK-UHFFFAOYSA-N 430.936 4.207 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)CC3)cc1[N+](=O)[O-])c1ccccn1 472442293 LFBGEHAGAFAAQK-OAHLLOKOSA-N 445.479 4.043 5 20 IIBD COc1cc(CCNC(=O)N(Cc2ccccc2Cl)CC2CC2)c([N+](=O)[O-])cc1OC 476871403 DMQJAAPKNBIDKG-UHFFFAOYSA-N 447.919 4.430 5 20 IIBD CN1CC[C@H](CNC(=O)CSc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 476978947 HNOQJIKBXMGTDH-JLTOFOAXSA-N 437.924 4.289 5 20 IIBD COc1cc(CCNC(=O)c2ccc(Br)c(Cl)c2)c([N+](=O)[O-])cc1OC 477474632 IVSYZHYFUZBUNK-UHFFFAOYSA-N 443.681 4.000 5 20 IIBD COc1cc(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)c([N+](=O)[O-])cc1OC 478784905 VAHHINQNBKCMBG-UHFFFAOYSA-N 438.824 4.175 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(O)(Cc2ccc(F)cc2)CC1 479234626 MOQCOPPOEGHXEU-UHFFFAOYSA-N 438.908 4.076 5 20 IIBD Cc1cc(NC(=O)N(CCn2ccnc2)Cc2ccc(Br)o2)ccc1[N+](=O)[O-] 480762442 LYZMVPZGZQRPKU-UHFFFAOYSA-N 448.277 4.190 5 20 IIBD CCN(Cc1cc(Br)ccc1F)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 482436346 MFRAYZYNOMORCY-UHFFFAOYSA-N 447.264 4.344 5 20 IIBD COc1cc(C(=O)Nc2cc(F)c(F)cc2I)cc([N+](=O)[O-])c1C 485632458 CFIVRZHDZLWSLP-UHFFFAOYSA-N 448.163 4.047 5 20 IIBD CSc1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)c1[N+](=O)[O-] 486428144 XZIBMBZAVXVDHK-FQEVSTJZSA-N 449.532 4.321 5 20 IIBD CSc1cccc(C(=O)NC[C@@H](C)Oc2ccc(Br)cc2)c1[N+](=O)[O-] 486432548 KXAPUPULMHJAIJ-LLVKDONJSA-N 425.304 4.277 5 20 IIBD CN1CC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2Nc2cccc(C(F)(F)F)c2)CC1=O 486567102 OOTBMLXBTCLQIZ-LBPRGKRZSA-N 436.390 4.164 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)cc1C 488374072 OMTCJPYJCDMYOI-CQSZACIVSA-N 440.905 4.081 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(CCCc2ccccc2)o1 488869151 QEEUADDBRWIZNJ-CQSZACIVSA-N 442.497 4.281 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@H](c4nc5c(s4)CCCC5)C3)o2)cc1 490058996 VFHJOUCTTPQHRM-HNNXBMFYSA-N 425.514 4.360 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H]2CCC[C@H]2OCc2ccccc2)cc1[N+](=O)[O-] 491199701 JLZNVAXXXADUIJ-UYAOXDASSA-N 430.526 4.091 5 20 IIBD CCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)[C@@H](c1cccnc1)c1ccc(F)c(F)c1 496566128 BHECGYZQTIZVTJ-JOCHJYFZSA-N 443.454 4.110 5 20 IIBD O=C(N[C@H](C(=O)Nc1ccccc1)c1ccccc1)c1cc([N+](=O)[O-])ccc1OC(F)F 497800390 QXDNUFFLOGWUIT-IBGZPJMESA-N 441.390 4.306 5 20 IIBD O=C(NCC(=O)N1CCCC[C@@H]1CCCc1ccccc1)c1c(Cl)cccc1[N+](=O)[O-] 502411967 BAQDLIBFKLJEKX-GOSISDBHSA-N 443.931 4.382 5 20 IIBD COc1ccc(Cn2ncc(C)c2NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1OC 502694111 ZILLRHXOZBBDEI-UHFFFAOYSA-N 430.848 4.071 5 20 IIBD COc1cc(CSc2nc3cc(Cl)cnc3[nH]2)c([N+](=O)[O-])cc1OCC(F)F 502852913 NRCIRKJNURLNSG-UHFFFAOYSA-N 430.820 4.464 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCCCO[C@@H]2CCCc3ccccc32)cc1OC 505549178 ADPPDHXLEMBWMP-HXUWFJFHSA-N 428.485 4.216 5 20 IIBD C[C@H]1CN(C(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1O 512101295 SRNJTFGZUIRWHZ-NHYWBVRUSA-N 426.416 4.218 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cccc(N4CCCC4=O)c3)cc2[N+](=O)[O-])C1 513837555 CCMWGATYKAKAQI-IAGOWNOFSA-N 436.512 4.456 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc(-c4nncn4C)cc3)cc2[N+](=O)[O-])C1 514559374 ZJZDWVHZEVPLPU-HOTGVXAUSA-N 434.500 4.125 5 20 IIBD COc1cccc([C@H](C)NC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 515778396 LNHHZWHYZQINJK-LBPRGKRZSA-N 426.395 4.095 5 20 IIBD Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 515857145 WUPMZNAOILCMGJ-MRXNPFEDSA-N 439.493 4.195 5 20 IIBD Cc1ccc(S(=O)(=O)N(Cc2noc(C(C)C)n2)c2cccc([N+](=O)[O-])c2)c(C)c1 520933654 JIGFMKGXHBWXIY-UHFFFAOYSA-N 430.486 4.114 5 20 IIBD CC[C@@H]1c2ccsc2CCN1C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 523272712 BJHOKBZPLIPQJW-MJGOQNOKSA-N 427.526 4.105 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CN(CCCO)Cc3ccc(Cl)c(Cl)c3)n2)cc1 532551235 LKYNJWRXFRYTSU-UHFFFAOYSA-N 437.283 4.336 5 20 IIBD COc1ccc(Br)cc1CNC(=O)c1ccc([N+](=O)[O-])cc1Br 532683472 GWTKDMSCXMHVDN-UHFFFAOYSA-N 444.079 4.058 5 20 IIBD O=C(C[C@@H]1CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccccc1 537555233 YNQULRFYZUQTEQ-AWEZNQCLSA-N 443.308 4.328 5 20 IIBD O=[N+]([O-])c1ccccc1/C=C\CNC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 538396720 WJBRKVJKJHEMOR-VEBBDIFPSA-N 435.446 4.290 5 20 IIBD CC[C@H]1C[C@@H](C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)CC(=O)N1 541729797 FAVACLSOUNXUOE-KGLIPLIRSA-N 449.866 4.101 5 20 IIBD O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2Br)cc1 542002920 RGOCHCADKZMNES-UHFFFAOYSA-N 441.181 4.057 5 20 IIBD O=C(CCc1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1)N1CCSc2ccccc21 545781106 ITAPLXRQMVRZOZ-UHFFFAOYSA-N 449.492 4.121 5 20 IIBD COc1cc(-c2noc(Cc3ccc([N+](=O)[O-])cc3Cl)n2)ccc1OC[C@H]1CCCO1 546282453 IVFNSSFRPLNXTE-MRXNPFEDSA-N 445.859 4.455 5 20 IIBD Cc1sc(NC(=O)c2cccc(S(=O)(=O)C(C)C)c2)nc1-c1cccc([N+](=O)[O-])c1 546724989 BXYGSZMUFNQBOO-UHFFFAOYSA-N 445.522 4.461 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H](c1cncc(Br)c1)C1CC1 552762442 DDIHWLNVVPLUHS-IBGZPJMESA-N 433.306 4.212 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 553034162 YPCCETJNAJHPTB-ZIFCJYIRSA-N 431.286 4.002 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CNc2ccc(Cn3cccn3)cc2)c1 554970690 CDESIYZGLMAGCE-UHFFFAOYSA-N 434.237 4.056 5 20 IIBD COc1cc(Cl)c(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1C 565800209 OEEHNSDMOQWJHB-SFHVURJKSA-N 431.876 4.117 5 20 IIBD CC(=O)N(c1ccc(F)cc1)c1nc(CN2CCOc3ccc([N+](=O)[O-])cc3C2)cs1 567576385 BSUIAPGZNXEENX-UHFFFAOYSA-N 442.472 4.270 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1c1nc(-c2cccc([N+](=O)[O-])c2)no1 571002413 FXEBROQHEIWOAZ-INIZCTEOSA-N 428.832 4.284 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3ccccn3)cc2)c(Br)c1 573029910 PNMPJFOTKNCTIA-UHFFFAOYSA-N 434.271 4.220 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1cnn(-c2ccc(Cl)cc2)c1C 576618969 BEUCMRAGLYNRRB-GFCCVEGCSA-N 429.864 4.190 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N2CCc3ccc(C(F)(F)F)cc3C2)c([N+](=O)[O-])c1 600850095 GOOJYTOPRNNHIK-UHFFFAOYSA-N 430.386 4.141 5 20 IIBD COc1cc2c(cc1OC)CN(C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)CC2 603461112 PVTGTLNLRDWMTG-UHFFFAOYSA-N 447.491 4.423 5 20 IIBD Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1S(=O)(=O)Nc1ccc(F)cc1 603499962 ZOTZKTNPIJCRFC-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD Cc1ccc(Sc2ncccc2C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(C)c1 603572318 KTWSLKKIYLFMPR-UHFFFAOYSA-N 449.536 4.115 5 20 IIBD CCOc1cc(C(=O)N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OC 604519172 QAHKMFCEFJBDGP-HTAPYJJXSA-N 428.485 4.242 5 20 IIBD O=C(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCc2sccc2[C@H]1c1ccccc1 608869655 AAJRKQDNNSWRJI-JOCHJYFZSA-N 445.504 4.089 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NCCOc2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 609288325 XERPSJHLCHTJMS-UHFFFAOYSA-N 434.374 4.069 5 20 IIBD Cc1cc(=O)c(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)nn1-c1ccccc1 609756039 VCCDBAPWYWYRPA-UHFFFAOYSA-N 442.431 4.494 5 20 IIBD C[C@H](c1ccc(Cl)cc1)N(C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 609761977 UVEXYRPLWZBHPT-GFCCVEGCSA-N 436.295 4.384 5 20 IIBD O=C(Cc1ccc2c(c1)CCO2)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 609817092 MYGMZTIFIYSJNE-UHFFFAOYSA-N 430.420 4.157 5 20 IIBD Cc1cc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])ccc1OCCN1CCCC1 609887088 MRZQARYPPNSKQV-UHFFFAOYSA-N 447.919 4.439 5 20 IIBD COc1cc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 610208543 DAYLSASUKLACAX-XJKSGUPXSA-N 433.892 4.262 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N[C@H]1CCN(C2CCCCC2)C1=O 610820044 CZVYMXRZNGPTDO-NRFANRHFSA-N 438.484 4.442 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1-n1cccc1 619467064 LWVWUJJRWGDSHB-UHFFFAOYSA-N 441.387 4.214 5 20 IIBD O=C(COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])NCC1(c2ccccc2)CCCCC1 725936088 YMNMQNWTRMZMNP-UHFFFAOYSA-N 432.423 4.048 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 726154558 MVFLSKVNUKFQSY-UHFFFAOYSA-N 440.681 4.078 5 20 IIBD O=C(N[C@H]1C[C@@H]1c1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1Br 726517557 AAXUPXLAFWXZNP-DOMZBBRYSA-N 440.091 4.406 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)c1cc(F)c(F)c(F)c1)c1cccc([N+](=O)[O-])c1 728515672 IDPNYWYDQZBILN-OAHLLOKOSA-N 436.386 4.254 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2cc(N)nc(Cl)c2)c2ccccc2)c([N+](=O)[O-])c1 728629772 KMGYQLVLDOZIIS-LJQANCHMSA-N 440.843 4.071 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)cc1SC 728650964 NXRUVSOBDYUQDB-UHFFFAOYSA-N 444.387 4.140 5 20 IIBD O=C(NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1C[C@H]1c1ccc2ccccc2c1 731290476 MEXBJAFRSBGEHQ-JKSUJKDBSA-N 430.869 4.010 5 20 IIBD O=C(NCCc1nc(C(c2ccccc2)c2ccccc2)no1)c1ccc([N+](=O)[O-])cc1 731788603 OLJORKDUXWTIIA-UHFFFAOYSA-N 428.448 4.131 5 20 IIBD Cc1cc2occ(CC(=O)NS(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)c2cc1C(C)C 734737176 ITYLTZRMUMQDMN-UHFFFAOYSA-N 430.482 4.129 5 20 IIBD Cc1ccc(SCC(F)(F)F)c(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])c1 736567288 MIDZFZIRYMDCEK-UHFFFAOYSA-N 428.388 4.388 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(N2CCC(C(=O)c3ccc(OC)cc3)CC2)cc1Cl 741751770 LQNOCMJFPKMYLJ-UHFFFAOYSA-N 432.860 4.143 5 20 IIBD O=C(c1cc2cccc(F)c2o1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 741922490 SCZPCMJIEIAISQ-UHFFFAOYSA-N 437.349 4.461 5 20 IIBD C[C@@H](CN1CCN(C)CC1)NC(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34 742250669 FBVDAMLZQFJWAA-IBGZPJMESA-N 441.575 4.299 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 742872893 KNJOCXATXCYLOU-AWEZNQCLSA-N 431.470 4.054 5 20 IIBD C[C@H](OC(=O)c1nccc2ccccc12)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 743199929 UJCBWEARJRCSLQ-ZDUSSCGKSA-N 448.460 4.451 5 20 IIBD Cc1ccc(/C=C\c2nc(=S)n(CN3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)[nH]2)o1 743390409 JTMQBQFZBITTFJ-HJWRWDBZSA-N 441.513 4.422 5 20 IIBD CCN(Cc1cccc(NC(=O)CNc2ccccc2[N+](=O)[O-])c1)C(=O)OC(C)(C)C 743855837 MEAVMQSZULZANL-UHFFFAOYSA-N 428.489 4.402 5 20 IIBD O=C(O[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1 744824783 KFOHNXAQMLBZGG-GOSISDBHSA-N 445.378 4.030 5 20 IIBD O=C(CCC[S@](=O)c1ccc(Br)cc1)OCCc1ccc([N+](=O)[O-])cc1 745056009 YYKRLNJCHWVXAU-SANMLTNESA-N 440.315 4.031 5 20 IIBD COc1cc(C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)c([N+](=O)[O-])cc1OC 748652964 FGJRIOJPVBBOML-UHFFFAOYSA-N 439.493 4.489 5 20 IIBD Cc1c(C(=O)NCc2cccc(CN3CCCCCC3)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748728007 GGVUVYQBGBPJFC-UHFFFAOYSA-N 440.500 4.426 5 20 IIBD COC(=O)c1ccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c(OCC(F)(F)F)c1 750186741 JBBDSBYBPBGVJS-UHFFFAOYSA-N 432.738 4.228 5 20 IIBD Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1NC(=O)c1ccncc1 751272397 QLIOGQLTTVBTJA-UHFFFAOYSA-N 446.872 4.005 5 20 IIBD C[C@H](C(=O)O[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 751973739 MJLFNJJEDIMQKF-UONOGXRCSA-N 425.466 4.392 5 20 IIBD Cc1nn(-c2ccccc2)c(Cl)c1CSc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 752808923 JNWLGXXOPDAZRR-UHFFFAOYSA-N 437.930 4.438 5 20 IIBD Cn1ccnc1[C@@H](NC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 753587998 YCGDDSHYTMOHOE-CVDCTZTESA-N 443.548 4.045 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1SC 755873538 VUOJDPIOVKTUJY-WBVHZDCISA-N 430.526 4.393 5 20 IIBD CCc1ccccc1NC(=O)[C@@H](C)OC(=O)Cc1ccc([N+](=O)[O-])cc1Br 756524866 GTAUTVDORGNUMP-GFCCVEGCSA-N 435.274 4.033 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccccc1C(=O)NCc1ccccc1 758186010 MBKBYHUZDHLPSA-UHFFFAOYSA-N 428.448 4.187 5 20 IIBD Cc1oc(-c2ccccc2)nc1Cc1noc([C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 761497662 GVTPLGQPNFAXAN-IBGZPJMESA-N 431.408 4.398 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C 761583500 HOGNMNXSYVESIO-DNVCBOLYSA-N 443.500 4.089 5 20 IIBD O=C(Nc1cc(-c2ccccc2Br)no1)c1cc([N+](=O)[O-])c2nsnc2c1 762815103 LNQSHGZXZMLGPC-UHFFFAOYSA-N 446.242 4.269 5 20 IIBD C[C@H]1CCCCN1CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 763760568 UJEDLMGVLJKGMP-IBGZPJMESA-N 428.577 4.312 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCCc3cc(OC)ccc3C2)c1=S 764973801 ZUDHHJVRAMDMKF-UHFFFAOYSA-N 439.541 4.424 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 765029565 DZNVHMXQNLHBIQ-IVZQSRNASA-N 443.504 4.039 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC(O)(c2ccccc2Cl)CC1 765622503 UDTXUMSIVKGCEE-UHFFFAOYSA-N 439.693 4.135 5 20 IIBD COc1cccc([C@H](O)CN(Cc2ccccc2)Cc2nc3cc([N+](=O)[O-])ccc3o2)c1 766120246 KQINMUCIEQBEHS-JOCHJYFZSA-N 433.464 4.480 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCc2nc(-c3ccc(F)c(C)c3)no2)cc1SC 767337094 TWWMMWDPLJAFIW-UHFFFAOYSA-N 433.417 4.180 5 20 IIBD O=C(OCc1ccc(F)cc1Br)c1cc(Br)ncc1[N+](=O)[O-] 769838144 GTFRIXBMFVCVLH-UHFFFAOYSA-N 434.015 4.011 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 774653982 PRBMIGVYIQZPST-SNVBAGLBSA-N 440.369 4.137 5 20 IIBD O=C(NC[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1)Nc1cccc(F)c1 775597149 STEUWVFELXKTIR-CYBMUJFWSA-N 449.870 4.453 5 20 IIBD COc1c([N+](=O)[O-])cc(N[C@H]2CCO[C@H](CC(C)C)C2)c([N+](=O)[O-])c1Br 776819666 PQRMODUFAXLGII-WDEREUQCSA-N 432.271 4.280 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Oc1cccc(NC(=O)c2ccccc2)c1 777971666 KYEHPHUKQXCJCM-UHFFFAOYSA-N 430.413 4.062 5 20 IIBD O=C1CCCN1CC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)c2ccccc21 780778818 GMPVWGMGWVIXKN-OAHLLOKOSA-N 431.439 4.313 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Oc1cccc(NC(=O)c2ccccc2)c1 781618165 HQAZJFXTMIVHMF-UHFFFAOYSA-N 435.392 4.294 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 782413530 BNPWVSBMPJLAEF-HOTGVXAUSA-N 432.521 4.079 5 20 IIBD CC[C@H](OC1CCCC1)C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 785935981 RDJKSYSGDWROOY-BZNIZROVSA-N 432.395 4.222 5 20 IIBD Cc1c(Cl)cccc1NC(=O)[C@@H](C)OC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 786788440 RSACAPDPCXMOBY-CYBMUJFWSA-N 443.843 4.054 5 20 IIBD CC(C)c1ncc(Cl)c(C(=O)Nc2ccc([N+](=O)[O-])c(I)c2)n1 788109111 UFORHJRVHGNQCT-UHFFFAOYSA-N 446.632 4.019 5 20 IIBD COc1ccc(CN(C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(C)(C)C)c(OC)c1 788464348 KKYXEHPUQJLENR-UHFFFAOYSA-N 445.472 4.280 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Oc1ccc(Oc2ncc(Br)cn2)cc1 789725984 GADKVPDAEYYWKT-UHFFFAOYSA-N 444.241 4.478 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])OCc1nnc(-c2ccc(Cl)cc2)o1 790741872 GTCPSRVHTYCSJA-UHFFFAOYSA-N 426.187 4.377 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)OC[C@@H]3CCCS(=O)(=O)C3)cc2[N+](=O)[O-])cc1 791606620 WLDYHKPMXNIJGO-HNNXBMFYSA-N 435.523 4.036 5 20 IIBD COc1ccccc1-c1noc([C@@H](C)NCc2c(Br)cccc2[N+](=O)[O-])n1 792181683 RMJDQBJYWYIFQJ-LLVKDONJSA-N 433.262 4.267 5 20 IIBD Cc1ccc([C@@H](C)N(C)S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])cc1 795797700 JMJMKAVXOXFEHB-LLVKDONJSA-N 431.283 4.187 5 20 IIBD Cc1ccccc1-c1noc(C)c1C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 796696873 CSKPUMMNQBLIPL-QGZVFWFLSA-N 449.463 4.328 5 20 IIBD Cc1sc(Br)nc1C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 798244512 HYUDWIOMFQENAK-UHFFFAOYSA-N 438.225 4.327 5 20 IIBD C[C@H](OC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(S[C@@H]2CCCCNC2=O)cc1 809044724 BWUOTZYFCRKOSL-MGPUTAFESA-N 428.510 4.203 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OCc2ccnc(-n3cccn3)c2)cc1 810869074 AQFJYPRFFJPJEZ-UHFFFAOYSA-N 446.419 4.333 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811085344 JKXUJXADDSOASH-UHFFFAOYSA-N 444.183 4.394 5 20 IIBD O=C(NC1CCCC1)OC[C@@H]1CCCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 813266787 UMXMGFLZCULPHS-KRWDZBQOSA-N 431.514 4.473 5 20 IIBD COc1c(C(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cccc1[N+](=O)[O-] 814247536 LFGNFBREIVAZCJ-UHFFFAOYSA-N 446.503 4.392 5 20 IIBD C[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)nc1Cl 815051516 QJXPNUXYZDMGPP-ZETCQYMHSA-N 444.218 4.355 5 20 IIBD COC(=O)c1coc(-c2noc(-c3ccc(N[C@H](C)c4ccccn4)c([N+](=O)[O-])c3)n2)c1 904946812 KWZAOQCVMGCACV-GFCCVEGCSA-N 435.396 4.260 5 20 IIBD O=C1C[C@H](C(=O)N(C2CC2)[C@H]2CCCc3ccccc32)CN1c1ccc(F)c([N+](=O)[O-])c1 914513079 UXRCIGSUQVKKLS-KKSFZXQISA-N 437.471 4.155 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(Cl)c(Cl)c1 917330628 VJYSHUJDMYPOAJ-SNVBAGLBSA-N 436.251 4.417 5 20 IIBD COc1cccc(Oc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c1 917760053 ACVJNNKSQYJJLT-UHFFFAOYSA-N 445.409 4.105 5 20 IIBD C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)O[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 919443549 QQCNDQBOERRUHY-ZJUUUORDSA-N 445.230 4.378 5 20 IIBD COc1c([N+](=O)[O-])cc(N[C@H](C)Cc2ccccc2F)c([N+](=O)[O-])c1Br 919723802 YQHOOJRXRVCQBJ-SECBINFHSA-N 428.214 4.456 5 20 IIBD CN(C)c1ccc(CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cc1 1116414617 QSYGFFUBKKQZAD-UHFFFAOYSA-N 426.698 4.049 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1c(Cl)cc(Cl)cc1Cl 1116722748 PSQXDPKKGJLWDY-UHFFFAOYSA-N 440.644 4.109 5 20 IIBD COc1cc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc(Cl)c1OC 1121313073 PSENWNJKDXTODD-JTQLQIEISA-N 429.256 4.003 5 20 IIBD O=C(NC[C@H](c1c(F)cccc1Cl)N1CCCC1)N1Cc2ccc([N+](=O)[O-])cc2C1 1318957469 LHQGBJGEFKMREG-LJQANCHMSA-N 432.883 4.250 5 20 IIBD CS[C@@H]1CC[C@@H](N(C)C(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)C1 1322113966 VRUSREDQDNKRPX-IAGOWNOFSA-N 441.553 4.248 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3c(F)cccc3F)CCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 1790187312 SXTFTSAFRCSJRF-UHFFFAOYSA-N 440.406 4.263 5 20 IIBD CC(C)O[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc(F)c3[N+](=O)[O-])cc2)CCC1 1790700946 GDJSDWMZMQVURN-HNNXBMFYSA-N 443.475 4.295 5 20 IIBD CC[C@H](C)[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1 1792397463 MCZSKOKBAYIRGX-LJDWRWTJSA-N 439.512 4.270 5 20 IIBD C[C@]1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])C3)CC=CCC1 1803268893 UBTYTORBWVKMFQ-YWNPBTLJSA-N 445.947 4.175 5 20 IIBD CC1=CC[C@@H](C(=O)N2CCC3(CCCN(C(=O)Cc4cccc([N+](=O)[O-])c4)C3)CC2)CC1 1804751686 FCIMZBRCVWSIQQ-OAQYLSRUSA-N 439.556 4.115 5 20 IIBD Cc1cc(C(=O)N2CCCC3(CCN(C(=O)c4ccc([N+](=O)[O-])cc4F)CC3)C2)c(C)o1 1808259789 YCXBRMJKFVTPPP-UHFFFAOYSA-N 443.475 4.102 5 20 IIBD Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(F)c3[N+](=O)[O-])CC2)o1 1830617125 RYOZCTUSVAFXMZ-LJQANCHMSA-N 443.475 4.182 5 20 IIBD COCCn1c(SCc2ccc([N+](=O)[O-])cc2)nc2sc3c(c2c1=O)CCCC3 3601006 WJHAYGLPNWSUDN-UHFFFAOYSA-N 431.539 4.184 5 20 IIBD C[C@H](OC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)Nc1ncc(Cl)cc1Cl 9868449 KTTIVZOELDNKOB-VIFPVBQESA-N 439.255 4.055 5 20 IIBD CNc1ccc(C(=O)OCC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1[N+](=O)[O-] 9924166 FVRZBNARRNGKNS-UHFFFAOYSA-N 449.419 4.340 5 20 IIBD Cc1nc2cc(C(=O)OCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)ccc2n1-c1ccccc1 10992698 FELPOYHNACOLPI-UHFFFAOYSA-N 448.410 4.177 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 15700766 UZLKCMXSHFKEEF-SNVBAGLBSA-N 427.240 4.023 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)/C=C/c1ccc2ccccc2n1)c1ccccc1[N+](=O)[O-] 16144746 LURIJCZLCJTSKF-ARKBFRDHSA-N 433.464 4.355 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2oc3ccc(Cl)cc3c2C)c([N+](=O)[O-])c1 18523436 FFYIZLLWIMCJPQ-NSHDSACASA-N 432.816 4.495 5 20 IIBD O=C(CSc1nc2ccccc2c(=O)n1C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl 18964464 JDWJYRXMGMWQOC-UHFFFAOYSA-N 430.873 4.024 5 20 IIBD CC(=O)Nc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cc1 24226699 DNPSAYKYJAGHQW-UHFFFAOYSA-N 446.463 4.103 5 20 IIBD COCCn1c(SCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])nc2ccccc21 24893651 MHOZUHPJDYKQOO-UHFFFAOYSA-N 439.440 4.493 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(C(F)(F)F)c1 28001245 RHYOAMXZIBTESZ-INIZCTEOSA-N 441.431 4.104 5 20 IIBD COc1ccccc1Nc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)s1 28787227 JXTLPPRIYQKYOA-UHFFFAOYSA-N 431.499 4.238 5 20 IIBD CN(CCNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)C1CC1 58857585 NIFUVYAGVVIBBK-UHFFFAOYSA-N 428.539 4.180 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 65124014 GBJMZLPHDBTRRP-UHFFFAOYSA-N 437.456 4.016 5 20 IIBD Cc1cc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)n(-c2ccc([N+](=O)[O-])cc2)n1 105586213 ZFJBWAVDZNUFJK-UHFFFAOYSA-N 446.442 4.155 5 20 IIBD CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 217734424 KDRXYVLNENOHPT-CQSZACIVSA-N 442.472 4.308 5 20 IIBD COc1cc(CNCc2cn(-c3ccccc3)nc2-c2ccccc2)c([N+](=O)[O-])cc1O 237416265 SSHSRFNQAUAJMR-UHFFFAOYSA-N 430.464 4.452 5 20 IIBD Cc1occc1-c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)o1 255931413 AADOQTNPHWHVQR-UHFFFAOYSA-N 428.348 4.296 5 20 IIBD O=c1c(Cl)c(NCc2cccc(Br)c2)cnn1-c1ccc([N+](=O)[O-])cc1 301204100 YBXTUPMGTYZFEP-UHFFFAOYSA-N 435.665 4.169 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1c1ccc(Br)cc1[N+](=O)[O-] 301283138 LLINZDOXFFDVSJ-INIZCTEOSA-N 434.290 4.282 5 20 IIBD O=C(Nc1nc(-c2cccc(F)c2)cs1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303416929 BPAPRSDWHGACGZ-CQSZACIVSA-N 446.485 4.162 5 20 IIBD CC(C)(C)n1ncnc1CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 409871506 FGJPDYGKNSMKJB-LJQANCHMSA-N 442.907 4.064 5 20 IIBD COc1cc(F)c(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC 410014072 HTXKKGFRMRTUIW-UHFFFAOYSA-N 431.342 4.211 5 20 IIBD CN(C)CCOc1cccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 426090143 JJAGZGJKBAEZCS-UHFFFAOYSA-N 435.480 4.367 5 20 IIBD CN(c1ccccc1)c1ccc(CNC[C@H](Oc2ccc(F)cc2)C(=O)O)cc1[N+](=O)[O-] 426642740 KUMUDHFUBXCOHN-QFIPXVFZSA-N 439.443 4.124 5 20 IIBD Cc1cc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])ccc1OC1CCOCC1 430617043 JPPKJHMRXAALBF-UHFFFAOYSA-N 435.274 4.476 5 20 IIBD Cc1cc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)n(Cc2ccccn2)n1 430819178 GQICVPTUNQHWBH-IRXDYDNUSA-N 448.527 4.278 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)C(=O)N(Cc2ccccc2)c2ccccc21 430826010 UCAUUNKXJDIELY-QGZVFWFLSA-N 445.475 4.433 5 20 IIBD CCCc1c(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cnn1-c1ccc(C)cc1 433651145 UIIUWYGGFPNCTM-UHFFFAOYSA-N 441.875 4.272 5 20 IIBD Cn1cc(C(=O)NCc2csc(CCc3ccccc3)n2)c(-c2ccc([N+](=O)[O-])cc2)n1 434563799 DVUTWDOSAYPIMC-UHFFFAOYSA-N 447.520 4.167 5 20 IIBD Cc1cnc([C@H](C)NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)s1 435848272 WBTWBJUVVVPGNF-NSHDSACASA-N 448.551 4.388 5 20 IIBD Cn1cc(CN(Cc2ccc(Cl)cc2)C(=O)CCCNc2ccc([N+](=O)[O-])cc2)cn1 435994719 KSUPKPKVNWGZTF-UHFFFAOYSA-N 441.919 4.403 5 20 IIBD CCc1noc(-c2ccc(CCNC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)cc2)n1 436410942 NFJGMRLFIOIBCS-UHFFFAOYSA-N 438.487 4.266 5 20 IIBD COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 437887233 DVGOCNFDVHLEBL-HNNXBMFYSA-N 428.489 4.101 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(-c2nc[nH]n2)cc1F 439280374 VJANSYWUFLTEMP-UHFFFAOYSA-N 441.366 4.269 5 20 IIBD O=C(Nc1ccc(-c2nc(=O)o[nH]2)cc1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 440722555 QQLGXRNAIQOFNO-UHFFFAOYSA-N 434.433 4.342 5 20 IIBD COc1cccc(C(C)(C)CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 441543871 IMFMSIXMEKASNS-UHFFFAOYSA-N 426.391 4.252 5 20 IIBD CCc1[nH]nc(C(=O)Nc2ccccc2CN(C)C(=O)c2cc3ccccc3o2)c1[N+](=O)[O-] 444257650 FDGQFBMJIDLOFX-UHFFFAOYSA-N 447.451 4.151 5 20 IIBD Cc1nnc(-c2cccc(NC(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)c2)o1 460393061 HREATTTYSOFFPY-UHFFFAOYSA-N 432.440 4.067 5 20 IIBD CCC1(O)CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)CC1 461265490 OARYWTQZIIXYBQ-UHFFFAOYSA-N 434.876 4.426 5 20 IIBD O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 461338151 GBPHMWBRUWTMQJ-KVSKMBFKSA-N 443.525 4.094 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc([C@@H]2CCCO2)n1C[C@@H]1CCCCO1 461842674 XYBAFVZZYDRFTM-PMACEKPBSA-N 429.521 4.022 5 20 IIBD CC(C)(NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(Cl)c(Cl)c1 465173079 VGKIZVMOQYGPDP-UHFFFAOYSA-N 425.268 4.267 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3nc4cccc(Cl)c4n3C)cc2)c(C)c1[N+](=O)[O-] 466274430 QBRBFJILUKPBNF-UHFFFAOYSA-N 438.875 4.249 5 20 IIBD COc1ccc(-c2cncc(C(=O)Nc3cc(C)nn3-c3ccc([N+](=O)[O-])cc3)c2)cc1 466424822 YLONXYQSJRVIRW-UHFFFAOYSA-N 429.436 4.412 5 20 IIBD COC(=O)c1cccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1OC(C)C 466675495 AYSZIMXRKJKOSK-UHFFFAOYSA-N 437.246 4.183 5 20 IIBD Cc1nc(-c2ccccc2)oc1C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 468302200 GOTLAFUTQOXWEO-GOSISDBHSA-N 437.452 4.371 5 20 IIBD O=C(c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCc2nn[nH]c2C1 469408470 RYPXRGBZMLJFQR-UHFFFAOYSA-N 449.414 4.081 5 20 IIBD COc1ccc(C)nc1NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 471720200 HFRCRTOXXPSUSL-UHFFFAOYSA-N 438.406 4.181 5 20 IIBD Cc1cc(-c2noc([C@H](C)NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)n2)ccc1F 472372495 XSVCCPXNAYRLCG-AWEZNQCLSA-N 427.436 4.162 5 20 IIBD NC(=O)N[C@H](CC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1cccc(Oc2ccccc2)c1 473358113 XLUOTEGBWXUGNB-HXUWFJFHSA-N 438.415 4.264 5 20 IIBD C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 473846155 ZQSIENWSYODFSD-CYBMUJFWSA-N 435.402 4.096 5 20 IIBD CO[C@H](C)c1nc(CN2CCCN(C(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)CC2)cs1 475642910 VZMHOORFWUQSPC-MRXNPFEDSA-N 447.561 4.115 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(-c2ccc(Cl)cc2)c1 479278918 FABZPPZAEUECSH-UHFFFAOYSA-N 432.889 4.425 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nnc1-c1cccnc1 479972778 TXJJCVAZVDDGPF-NSHDSACASA-N 432.893 4.041 5 20 IIBD Cc1ccccc1COc1cccc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c1 482400278 YSRUNCZFYQNGAH-UHFFFAOYSA-N 433.464 4.241 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1oc2ccccc2c1C)C(C)C 483311495 OVFWSWDRQKJINU-IBGZPJMESA-N 425.441 4.110 5 20 IIBD O=C(c1c([N+](=O)[O-])cccc1C(F)(F)F)N1C[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 484952066 UXISBMHDNITUEX-IAGOWNOFSA-N 433.430 4.208 5 20 IIBD CCOC(=O)CCc1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 485501974 HKTHZRYAHTWASL-UHFFFAOYSA-N 427.276 4.167 5 20 IIBD Cc1csc([C@@H]2COCCN2C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])n1 485712771 NJZGFWVYXORHMM-FQEVSTJZSA-N 439.493 4.152 5 20 IIBD O=C(NCCc1ccccc1OC(F)(F)F)c1sc(Br)cc1[N+](=O)[O-] 486187879 DKJLPUPSBNXWLP-UHFFFAOYSA-N 439.209 4.290 5 20 IIBD COc1ccc(C(=O)N(C)C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C 488290268 CUULNELYVGFEDQ-UHFFFAOYSA-N 431.514 4.306 5 20 IIBD C[C@@H](Nc1ccc2c(c1)CCCC(=O)N2)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 488527634 JRRODHYNAXNCMP-LLVKDONJSA-N 436.390 4.328 5 20 IIBD O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1cc([N+](=O)[O-])ccc1OC(F)F 489431251 NGIJGDYTHICYJX-UHFFFAOYSA-N 429.383 4.043 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC[C@@H](c1ccccc1)N1CCCC1 491580723 FBSFKEPNVMXREZ-IBGZPJMESA-N 436.434 4.250 5 20 IIBD CC(C)c1ccc2c(c1)[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)CC2 494249201 YOBLBGPOGYPWQH-ZWKOTPCHSA-N 427.526 4.188 5 20 IIBD C/C(=C/c1ccccc1)CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 494432052 AMEHQCBOYRACPI-RAXLEYEMSA-N 425.304 4.081 5 20 IIBD O=C(C[C@H]1CCCCCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccccc1 495406261 BHEPVEWNCDYHNM-LJQANCHMSA-N 432.480 4.438 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCCc3csc(C(C)(C)C)n3)cc2)c(C)c1[N+](=O)[O-] 498393728 GWGHWUQOUBKEPV-UHFFFAOYSA-N 441.557 4.183 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)c1 499693995 AAYRVCIWVAJMCT-UHFFFAOYSA-N 426.454 4.408 5 20 IIBD Cc1ccccc1-n1c(SCc2ccc(Cl)cc2[N+](=O)[O-])nnc1N1CCOCC1 501131223 DSWPGORFEQTZKR-UHFFFAOYSA-N 445.932 4.266 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ccc(OCC2CC2)nc1 501737715 YLMDOBLWGFCMIL-UHFFFAOYSA-N 441.431 4.206 5 20 IIBD COc1cc(F)c(NC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC 504108895 AALSFXARWVQPMZ-UHFFFAOYSA-N 446.357 4.004 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCC(CCC(N)=O)CC3)cc2[N+](=O)[O-])cc1 504286868 WNGPGYBWGJYETF-UHFFFAOYSA-N 427.526 4.172 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NC3CCN(c4ccccc4)CC3)cc2[N+](=O)[O-])C1 507598246 GOJIYZDHDHCWCD-KDURUIRLSA-N 436.556 4.476 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1OCC(=O)N1CCCC1 507790577 BBVPHMQEGVQGSM-UHFFFAOYSA-N 438.267 4.155 5 20 IIBD COC(=O)c1occc1CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)c1ccccn1 508514626 XEENGLVBLDUAIA-ZDUSSCGKSA-N 443.843 4.426 5 20 IIBD CCn1c([C@H]2CCCN2S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])nc2ccccc21 509626814 UYCOFZNCMCAGJK-GOSISDBHSA-N 428.514 4.107 5 20 IIBD Cc1c(Br)cc(C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1[N+](=O)[O-] 509636573 DGKVSKWNECAVLU-ZDUSSCGKSA-N 444.289 4.080 5 20 IIBD CCc1cc(=O)c2cc(NC(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)ccc2[nH]1 512567203 XZBUXOMLDJEIIP-UHFFFAOYSA-N 430.258 4.322 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC[C@H](c4ccnn4C)C3)cc2[N+](=O)[O-])n1 512571944 DVZMFKZWJVWPDA-HNNXBMFYSA-N 443.554 4.264 5 20 IIBD Cc1ccc(-c2cncc(F)c2)cc1NC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C 513031591 NABYDFMXWQWYEV-UHFFFAOYSA-N 432.415 4.246 5 20 IIBD Cc1cc(Br)cc(C)c1N1CCC[C@@H](NCc2csc([N+](=O)[O-])c2)C1=O 513036652 NSNZWCGHRCNTSJ-OAHLLOKOSA-N 438.347 4.321 5 20 IIBD Cn1c(SCC(=O)NCCCOC2CCCCC2)nc2cc3ccccc3cc2c1=O 515424458 XAZRLYLIUOVRHU-UHFFFAOYSA-N 439.581 4.034 5 20 IIBD C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 516756351 VLNFSFICNSBCPP-JTQLQIEISA-N 431.297 4.138 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@H](c1ccccc1)N1CCc2sccc2C1 517500322 OGBRCAXYGOTBAW-OAQYLSRUSA-N 436.537 4.255 5 20 IIBD Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 519980577 QSBJZCVBAZFEJQ-JOCHJYFZSA-N 442.479 4.463 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 520017573 PCNJHKISFYJEDV-NOZRDPDXSA-N 430.479 4.330 5 20 IIBD Cc1ccc(S(=O)(=O)NCc2nc(-c3ccc(Cl)cc3)c(C)s2)cc1[N+](=O)[O-] 521200954 KPCHUJLZHZBYTD-UHFFFAOYSA-N 437.930 4.467 5 20 IIBD O=[N+]([O-])c1ccc(NCc2c(Cl)cccc2Cl)c(S(=O)(=O)N2CCCC2)c1 521763508 PEEDRJDNZLIRLK-UHFFFAOYSA-N 430.313 4.298 5 20 IIBD C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 521930699 ZGYHYYOCQSVJCD-XOBRGWDASA-N 440.887 4.251 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 522642266 USFSOBFZDBTMPZ-NRFANRHFSA-N 441.503 4.158 5 20 IIBD COc1cccc(NC2CCN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)c1 522977515 IKNQYFOWZLCVDH-UHFFFAOYSA-N 438.509 4.444 5 20 IIBD Cc1nn(C)c(N2CCN([C@H](c3ccccc3)c3ccccc3Cl)CC2)c1[N+](=O)[O-] 524265378 GIFPJJLOLPSSJN-OAQYLSRUSA-N 425.920 4.202 5 20 IIBD CCCc1[nH]nc(C(=O)NCc2ccccc2COc2ccccc2Cl)c1[N+](=O)[O-] 525612336 LWZDRLFULKYZOF-UHFFFAOYSA-N 428.876 4.433 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)cc1 525837578 AZILMZAFMVHZCT-PKOBYXMFSA-N 442.459 4.313 5 20 IIBD C[C@@H](NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1)c1cccc([N+](=O)[O-])c1 533617311 OUTXTFWYRPWUEQ-CYBMUJFWSA-N 446.891 4.075 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@@H]1CCCOc2cc(Cl)ccc21 537281659 SSJMUCGTHLGHQP-MRXNPFEDSA-N 427.844 4.205 5 20 IIBD Cc1ccccc1CNc1ccccc1NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 542084653 XIUKNMCGJZFFJI-UHFFFAOYSA-N 433.464 4.468 5 20 IIBD COC(=O)[C@@H](NCCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(Cl)cc1Cl 543191420 JDRMHXNIIGVBMI-SFHVURJKSA-N 440.283 4.043 5 20 IIBD COc1cccc([C@H]2C[C@@H](C)CN2C(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)c1 543368382 LKWSAEQTIQNWBD-DNVCBOLYSA-N 430.526 4.455 5 20 IIBD Cc1c([N+](=O)[O-])cnc(Nc2cccc(NC(=O)[C@@H](C)n3cccn3)c2)c1Br 544393728 BRFASIRHJNJPJG-GFCCVEGCSA-N 445.277 4.201 5 20 IIBD C[C@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)Oc1ccc(Br)cc1 544399861 QYSRXTZZORRJNA-VXGBXAGGSA-N 425.254 4.184 5 20 IIBD CC(C)c1nc(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)nn1-c1cccc(F)c1 544593981 QXQAKCPCAJVKLZ-UHFFFAOYSA-N 437.435 4.143 5 20 IIBD COc1cc(-c2nc(Cc3ccc(Br)s3)no2)cc([N+](=O)[O-])c1OC 544982080 JNAPUVAWCPYXHF-UHFFFAOYSA-N 426.248 4.077 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c2ccccc21 549817338 KVPYQUOXKLEUAB-HNNXBMFYSA-N 437.477 4.160 5 20 IIBD O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 554405914 JQYGDAOLLFPERW-UHFFFAOYSA-N 444.451 4.152 5 20 IIBD CCOC(=O)C(C)(C)c1csc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 554663675 MGDGVUPBEXQIHC-UHFFFAOYSA-N 431.392 4.163 5 20 IIBD CC[C@@H]1CN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C[C@@H](C)[S@]1=O 557581189 IVUDLGKGAKQABK-KUWNYOFRSA-N 432.567 4.426 5 20 IIBD Cc1oncc1C(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 559145062 WLCDNJIXOYSZTL-UHFFFAOYSA-N 434.330 4.415 5 20 IIBD Cc1noc(C)c1COc1cc2ccccc2cc1-c1nc(-c2c([N+](=O)[O-])ncn2C)no1 564275006 QZHKCZZFYFHUNV-UHFFFAOYSA-N 446.423 4.382 5 20 IIBD COC(=O)c1occc1CN(C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccccn1 565415614 JYIDPUZUCODHCJ-HOTGVXAUSA-N 437.452 4.263 5 20 IIBD CCN(CC)[C@@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ccsc1 566870675 FOIOUPAGLSDHSW-IBGZPJMESA-N 446.573 4.092 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2c2nc(-c3cccc4cnccc34)no2)ccc1[N+](=O)[O-] 577144505 HUXOEIHFMLMQJG-HXUWFJFHSA-N 429.436 4.479 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1cccs1)C1Cc2ccccc2C1 583174867 IANLILYBZYPMMV-UHFFFAOYSA-N 449.532 4.353 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1ccc(NC(=O)C(C)C)cc1)c1ccccc1[N+](=O)[O-] 603568548 UHZLQNCJZZRWFT-IBGZPJMESA-N 441.484 4.002 5 20 IIBD Cc1nc(C2(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])CCCCCC2)no1 603738261 QUQLDIVJSRWZCK-UHFFFAOYSA-N 442.394 4.207 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCc3cccc4c3OCO4)cc2[N+](=O)[O-])n1 604199086 HJAILLXJANBCQK-UHFFFAOYSA-N 429.479 4.170 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(OCc2cccc(F)c2)c1 604254388 PTPOTOXUIMLTQR-HNNXBMFYSA-N 437.427 4.070 5 20 IIBD Cc1ccccc1CN(Cc1ccccc1)C(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 608879505 UPOHXLGKGRPRCU-IBGZPJMESA-N 431.492 4.251 5 20 IIBD C[C@H](NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C(=O)N1CCCC[C@H]1C 609782219 VIRRBWYKYQPGKJ-CVEARBPZSA-N 426.473 4.298 5 20 IIBD COc1cccc(OC)c1Oc1ccc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cn1 609856031 LPSZGEHGNVQRTD-UHFFFAOYSA-N 443.843 4.383 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 610101176 YPOYJTLAXLMUES-SFHVURJKSA-N 430.936 4.397 5 20 IIBD CC(C)CNC(=O)N1CCC[C@@H](C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 610158262 SFDITIJVGXBOHD-QGZVFWFLSA-N 440.500 4.403 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CSc1ccc([N+](=O)[O-])cc1F 613527044 WERNSRDFQWQURQ-UHFFFAOYSA-N 428.489 4.004 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(CC[C@@H](O)c2ccccc2)cc1 727360237 IBWJAOJPWRVTPL-OAQYLSRUSA-N 426.494 4.370 5 20 IIBD CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 727567010 UKXWWBAXWVAZJU-UONOGXRCSA-N 428.441 4.064 5 20 IIBD Nn1c(SCc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccc(OC(F)F)cc1 735414974 JOAGITBZNLYBFB-UHFFFAOYSA-N 427.820 4.114 5 20 IIBD COc1ccc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)cc1[N+](=O)[O-] 740819474 SNUSYYMEMKHWBF-GOSISDBHSA-N 449.891 4.139 5 20 IIBD C[C@@H]1C[C@H](c2cccc(F)c2)N(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 742322592 USGNXDDORVBCCH-BDJLRTHQSA-N 443.294 4.268 5 20 IIBD CCOC(=O)/C=C\c1ccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 743250276 DBUVOVDHPYAVRI-YVMONPNESA-N 445.280 4.279 5 20 IIBD O=[N+]([O-])c1ccc2c(cnn2CN(C[C@H]2CCN(Cc3ccccc3)C2)CC(F)(F)F)c1 743406532 HXSAKLQTJNVIDH-SFHVURJKSA-N 447.461 4.288 5 20 IIBD C[C@H](OC(=O)C(C)(C)c1ccc(Br)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 744757246 KZWACDMGSHCRIK-LBPRGKRZSA-N 435.274 4.205 5 20 IIBD O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1cc(=O)c2cc(Br)ccc2[nH]1 746076162 MNCWSVBZVAIXGT-UHFFFAOYSA-N 437.633 4.209 5 20 IIBD C[C@H]1[C@H](c2ccccc2)OC[C@@H](C)N1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754967308 MFEYRMCMCCPCOE-FTLABTOESA-N 437.265 4.487 5 20 IIBD Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1cccc([N+](=O)[O-])c1Br 757916062 PWZNXXCUJLFAJJ-NVXWUHKLSA-N 430.302 4.114 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc(F)c(C(F)(F)F)c(F)c1 758843151 ODZZXRKPAAFUIX-UHFFFAOYSA-N 429.257 4.299 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N(Cc1ccccc1)C[C@@H](O)c1cccs1 759332067 CKVVMBWAEWDXPF-OAQYLSRUSA-N 435.505 4.443 5 20 IIBD C[C@H](C(=O)OCc1nnc(-c2ccc(Br)s2)o1)c1cccc([N+](=O)[O-])c1 763401387 FUBLDGAQMUREPQ-VIFPVBQESA-N 438.259 4.316 5 20 IIBD O=C(CCN1CCCCC1)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cc1 764219259 ZLTWTILGRSESAM-UHFFFAOYSA-N 430.892 4.315 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 767597497 OEQXWZDXSKFGFI-CQSZACIVSA-N 436.486 4.257 5 20 IIBD O=[N+]([O-])c1ccc2nc(Sc3ccc(CNC4(CO)CCC4)cc3[N+](=O)[O-])sc2c1 767927825 DPSISDYJZYEZHL-UHFFFAOYSA-N 446.510 4.269 5 20 IIBD COc1ccc2c(c1)CCC[C@H]2CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 768534878 PHPJBBUIJJYRJW-LBPRGKRZSA-N 437.265 4.355 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 769421703 CRNUGQFEYCXDNR-WMZOPIPTSA-N 443.548 4.121 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cn1 769482433 BIOWHAHWOLPJMW-UHFFFAOYSA-N 428.489 4.380 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@H](C)[C@H](O)c2cccc(F)c2)cc1[N+](=O)[O-])c1ccccn1 770384072 NFUZUXVIXRVQGK-KIMHZCHSSA-N 438.459 4.154 5 20 IIBD CC(=O)c1ccc(N2CCC(OC(=O)c3cc(Br)cc([N+](=O)[O-])c3)CC2)cc1 770472093 FLQBEVMLJYVTKK-UHFFFAOYSA-N 447.285 4.386 5 20 IIBD Cc1nc(Br)ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 773712835 CTPLUELHLKCAEW-UHFFFAOYSA-N 429.068 4.004 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 773879393 DZXQNYKUEKZFDU-JXMROGBWSA-N 447.413 4.048 5 20 IIBD CC(C)([C@H](OC(=O)CCCOc1cccnc1)c1ccc(Br)cc1)[N+](=O)[O-] 774367330 HYGZQTDKPAEKHI-GOSISDBHSA-N 437.290 4.343 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776138658 RFKYLIYMGCNSIH-JOCHJYFZSA-N 432.392 4.255 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2c(C(F)(F)F)ccnc2Cl)cccc1[N+](=O)[O-] 776469810 ONHATNUOXGABOH-SECBINFHSA-N 431.754 4.154 5 20 IIBD CSc1cccc(C(=O)OCC(=O)Nc2ccc(C)cc2Br)c1[N+](=O)[O-] 777073809 DEKNEUZZPNYZCP-UHFFFAOYSA-N 439.287 4.183 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C 777926479 DRVVHODDFFTGLW-OAHLLOKOSA-N 449.504 4.166 5 20 IIBD CCOc1ccccc1NC(=O)[C@@H](OC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccccc1 778140221 KTJCZBNBWKIGSP-NRFANRHFSA-N 435.436 4.113 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 778202717 WWWKMHYBSMUREY-INIZCTEOSA-N 435.820 4.357 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCCCc1cccc(C(F)(F)F)c1 781609475 CSLZSAGXSILFFQ-UHFFFAOYSA-N 425.363 4.203 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCc1coc(-c2cccc(Cl)c2)n1 781737880 RGVLARWLUBYAFT-UHFFFAOYSA-N 431.788 4.487 5 20 IIBD CC[C@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C 790904944 LRNQJXSSXFDHEW-BLLLJJGKSA-N 443.903 4.082 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)O[C@H]([C@@H]1CCCOC1)C(F)(F)F 791043970 GXNLLQHDYDTSBB-NOZJJQNGSA-N 426.185 4.180 5 20 IIBD Cc1c(C(=O)N(C)Cc2ccc(F)cc2Br)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 791531170 OENNCMVNRSRQGL-UHFFFAOYSA-N 440.225 4.294 5 20 IIBD CCC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1 794596668 WITNMMUGTUPETK-UHFFFAOYSA-N 447.694 4.404 5 20 IIBD Cc1cc(Cl)nc(CNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c1 800065741 WTHXPRUOINVMQZ-UHFFFAOYSA-N 440.674 4.374 5 20 IIBD COc1cc(C(=O)O[C@@H](C)CC2CCOCC2)c([N+](=O)[O-])cc1OCc1cscn1 803014377 BZXGKARWEYHIQP-ZDUSSCGKSA-N 436.486 4.001 5 20 IIBD Cc1cc(NCc2ccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)c2cccc([N+](=O)[O-])c2n1 804703307 YHXCKWHUGNSLOM-DEOSSOPVSA-N 445.479 4.288 5 20 IIBD Cc1cc(NC(=O)c2cc(Br)ncc2Cl)n(-c2ccc([N+](=O)[O-])cc2)n1 806755654 VKDLWTBMHSKYLZ-UHFFFAOYSA-N 436.653 4.152 5 20 IIBD O=C(NC1(c2noc([C@@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)n2)CCCC1)c1ccccc1 809507880 UEKCHORDYYVVJA-IBGZPJMESA-N 447.451 4.043 5 20 IIBD CC(C)c1scnc1C(=O)OCc1cc(I)cc([N+](=O)[O-])c1 811038353 HUXHIXPOZRGHND-UHFFFAOYSA-N 432.239 4.136 5 20 IIBD O=C(OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccc(N2CCC(O)CC2)cc1 811122215 IGKXOLOFICIZQZ-UHFFFAOYSA-N 425.268 4.220 5 20 IIBD NC(=O)[C@H](OC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1cccc(Br)c1 811373469 FQAXTYCVTILMMC-CYBMUJFWSA-N 448.056 4.048 5 20 IIBD CCOc1ccc([C@H](O)C2CCN(c3ncc(Br)cc3[N+](=O)[O-])CC2)cc1 812482280 IVYXAGRFDAEHER-SFHVURJKSA-N 436.306 4.101 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)c1 814428168 JPWCJKVSMKRPML-IRXDYDNUSA-N 447.532 4.103 5 20 IIBD CCCCN1C(=O)C[C@H](C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)[C@H]1c1ccc(OC)cc1 825487944 JKHTYHMZOLSFLX-YCRPNKLZSA-N 447.438 4.210 5 20 IIBD Cc1cc(C)n(Cc2cccc(-c3noc(-c4ccn(-c5ccccc5[N+](=O)[O-])n4)n3)c2)n1 904524773 DQWURSFFNHEDRR-UHFFFAOYSA-N 441.451 4.359 5 20 IIBD Cc1ccccc1NCCC(=O)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 918635985 WGWXPGHSNRJWKU-FQEVSTJZSA-N 439.512 4.333 5 20 IIBD Cc1nc(-c2ccc3c(c2)CCN3C(=O)Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)cs1 1319880829 VDFDCTTZVKKCBA-UHFFFAOYSA-N 445.504 4.480 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@@H](Cc3nccn3C)C2)cc1OC 1319989279 ROROOXBQCFFCQD-ROUUACIJSA-N 430.549 4.217 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC(Nc2ccccc2Cl)CC1 1321140954 ZZPSSSZNXLWSPF-UHFFFAOYSA-N 425.876 4.151 5 20 IIBD O=C(c1cccs1)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 1322399440 BTIVLKVOCNPYJL-UHFFFAOYSA-N 427.526 4.382 5 20 IIBD Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CCC2)cc1O 1785751239 UNDJYEQRMQAHKW-UHFFFAOYSA-N 435.436 4.263 5 20 IIBD O=C(CCc1ccc[nH]1)Nc1ccc(C2(NC(=O)Cc3cccc([N+](=O)[O-])c3)CCC2)cc1 1788188142 DKCNQRIFDZACNI-UHFFFAOYSA-N 446.507 4.232 5 20 IIBD CC(C)c1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])[nH]4)CCC3)cc2)on1 1790163488 HQTQVNAFTZMRLM-UHFFFAOYSA-N 437.456 4.096 5 20 IIBD O=C(Cc1ccncc1)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3F)CCC2)cc1 1790386867 RPSYVDSIBKWNQW-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2)[nH]n1)c1cccc(F)c1[N+](=O)[O-] 1821172803 RJLQXRUMQWFHFC-SFHVURJKSA-N 437.431 4.077 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cc(F)ccc2[N+](=O)[O-])CC1 1824349301 XOFFAWNJPSUHFJ-LAUBAEHRSA-N 447.551 4.332 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(OCC(=O)c2ccc(C(C)C)cc2)c([N+](=O)[O-])c1 9048059 HOGKIUMGQRAKPY-UHFFFAOYSA-N 434.514 4.010 5 20 IIBD Cc1ccc(C)c(NC(=O)[C@H](C)OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 10723286 IIHSCKWYLAHMBK-SFHVURJKSA-N 428.488 4.342 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1 15340116 JLUMTPGILDFXOT-MRXNPFEDSA-N 440.477 4.162 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)CCc2ccc(-c3ccccc3)o2)c([N+](=O)[O-])c1 17015990 XADZZGNTJJZYRY-HNNXBMFYSA-N 438.436 4.366 5 20 IIBD CCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 18094262 OWZKNXQTXQXXFC-UHFFFAOYSA-N 448.479 4.448 5 20 IIBD C[C@@H](Sc1nc(-c2ccc(Br)cc2)n[nH]1)C(=O)Nc1ccccc1[N+](=O)[O-] 21747812 KEUWDTYEXDWEPR-SNVBAGLBSA-N 448.302 4.262 5 20 IIBD Cc1cc(C(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)[nH]1 23446644 LUKJUFJYRLCKNY-UHFFFAOYSA-N 440.839 4.464 5 20 IIBD COc1ccc(Br)cc1CN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C 26225271 CFUGMFONUBCKNF-UHFFFAOYSA-N 436.306 4.135 5 20 IIBD CCOc1cc(C(=O)O[C@H](C)c2nnc(-c3cccc(C)c3)o2)c([N+](=O)[O-])cc1OC 28000918 JVMXLVMNOWLHIE-CYBMUJFWSA-N 427.413 4.279 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc2c(c1)NC(=O)CS2 28718257 GAIIJMHZIBEYJV-UHFFFAOYSA-N 443.428 4.389 5 20 IIBD C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 31384739 YGCTWNHHHIPXPA-QRWLVFNGSA-N 431.514 4.046 5 20 IIBD O=C([C@H](Sc1ccccc1)c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 32005419 FXFRSAJPOJTJFH-JOCHJYFZSA-N 434.521 4.172 5 20 IIBD CN(C)[C@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1Cl 65085107 GZHBZKLEBTUTOI-GOSISDBHSA-N 430.917 4.404 5 20 IIBD CC(C)CN(CC(C)C)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 98074361 JKMRKWQHWKNUSX-UHFFFAOYSA-N 433.530 4.150 5 20 IIBD CCCN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C1CCN(C(=O)c2ccccc2)CC1 110974563 CCVGJRPJUFLFDA-UHFFFAOYSA-N 434.496 4.233 5 20 IIBD Cc1cc(NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 301084853 GLCJGVWOJBYDFY-FQEVSTJZSA-N 433.468 4.090 5 20 IIBD COc1ccc(CN2CCC(CNc3ncc([N+](=O)[O-])cc3Br)CC2)cc1 301568624 WGCMHWQNILEACU-UHFFFAOYSA-N 435.322 4.085 5 20 IIBD CCOC(=O)c1csc([C@@H]2CCCN2c2ccc(Br)cc2[N+](=O)[O-])n1 302685398 AWLNSTAHXNECAY-ZDUSSCGKSA-N 426.292 4.332 5 20 IIBD COc1ccc([C@@H](C)NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1Br 302944836 BPAZWXGFWOZFIK-GFCCVEGCSA-N 445.273 4.043 5 20 IIBD COc1ccc(-c2ccc(CNC(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)s2)cc1 426061469 UWFRJRWPTORFDX-UHFFFAOYSA-N 441.513 4.075 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(C(C)(C)c3csc(-c4c(F)cccc4F)n3)n2)n1C 426620754 RDQQARJVCQZJNU-UHFFFAOYSA-N 446.439 4.414 5 20 IIBD COc1ccc(Br)c(CN(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 429291780 JHCHNRAERCOGFG-UHFFFAOYSA-N 436.306 4.135 5 20 IIBD C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CC[S@]1=O 430352007 CXUGXUBJCDCXIF-CFJPQMKISA-N 438.958 4.383 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1c(-c2ccncc2)nc2ccccn12 430660469 DCLRHTLNEIDUOR-ZDUSSCGKSA-N 437.843 4.364 5 20 IIBD O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1cc(Br)cc([N+](=O)[O-])c1 431465138 OWWYYCVZQZPKQT-UHFFFAOYSA-N 442.273 4.204 5 20 IIBD Cc1c(CN2C(=O)CN([C@H](C)c3cccc(Br)c3)C2=O)cccc1[N+](=O)[O-] 431733593 RQLIWDMBQJEQCU-CYBMUJFWSA-N 432.274 4.191 5 20 IIBD O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 436092648 XJLJSCPAKAQNAB-HXUWFJFHSA-N 445.450 4.190 5 20 IIBD O=C(Nc1nnc(-c2ccccn2)s1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436143104 UNAFXZSPHDZJDY-UHFFFAOYSA-N 435.415 4.125 5 20 IIBD O=C(NCc1ccc(NC(=O)c2ccncc2)cc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 436298911 CZBDIJNXJLPIDQ-UHFFFAOYSA-N 448.482 4.259 5 20 IIBD COc1c(C)ccc(NS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1C 438801473 MNSMGWJSKMRQHE-UHFFFAOYSA-N 429.292 4.092 5 20 IIBD COc1cc(C(=O)NCc2cc(Br)ccc2C)c([N+](=O)[O-])cc1OC(F)F 438920328 SLNNOTHTXZYPTN-UHFFFAOYSA-N 445.216 4.206 5 20 IIBD CC(C)N(Cc1ccc(-c2cccc(F)c2)s1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 439108166 CFRWDWSBDCCTFU-UHFFFAOYSA-N 429.473 4.061 5 20 IIBD O=C1[C@H](N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)CCN1c1cccc([N+](=O)[O-])c1 441074472 MUDBBHAFFKRDFS-SWLSCSKDSA-N 440.447 4.055 5 20 IIBD CC[C@H](c1ccc(F)cc1F)N1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 441443536 BGVSAJQDZWLHLP-HXUWFJFHSA-N 443.454 4.192 5 20 IIBD COc1ccc([C@@H](N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c2ccccc2OC)cc1 443456950 RPRXVSSNQCFSOO-LADGPHEKSA-N 447.491 4.097 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl 443969852 SNEVREZODKWOBS-GFCCVEGCSA-N 428.272 4.080 5 20 IIBD O=C(c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)N1Cc2ccccc2-c2ccccc2C1 444145231 WTFZSDXNKWIJDU-UHFFFAOYSA-N 441.443 4.071 5 20 IIBD Cc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1NC(=O)c1ccccc1F 446420076 GQSQJLQKAGPGTR-UHFFFAOYSA-N 433.439 4.493 5 20 IIBD Cn1nc(C2CCCCC2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 446961713 BYSMMYZSMWTIKG-UHFFFAOYSA-N 432.424 4.196 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)c(C(F)(F)F)c1 447022720 GKPKVGZHRQGORI-CYBMUJFWSA-N 432.395 4.006 5 20 IIBD COc1ccccc1-c1csc([C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3O)C2)n1 447155710 YGLJSXJXLNNUAE-AWEZNQCLSA-N 439.493 4.452 5 20 IIBD C[C@@]1(c2cc3ccccc3o2)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1=O 448104109 ASRNABVQTCLPHE-IBGZPJMESA-N 433.342 4.327 5 20 IIBD COc1ccc(CSCC(=O)N2C[C@H](c3ccccc3C)OC[C@H]2C)cc1[N+](=O)[O-] 460389083 RMBNLXOJDJPRQK-IIBYNOLFSA-N 430.526 4.134 5 20 IIBD CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCOC2)C1 461536484 MWXPHEQQAGVHLB-VDZJLULYSA-N 431.562 4.000 5 20 IIBD CCOC(=O)c1cccc(N(CC)S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 462184281 BJCANNXABSHFKU-UHFFFAOYSA-N 447.296 4.294 5 20 IIBD O=C(NC[C@@H]1CCN(c2ccccc2F)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 462371663 RNOYNPNKPFKWQY-AWEZNQCLSA-N 426.473 4.114 5 20 IIBD Cc1ccc(NC(=O)C(=O)NCC(Cc2ccccc2)Cc2ccccc2)cc1[N+](=O)[O-] 463604327 RUXZCTZAJMZYFA-UHFFFAOYSA-N 431.492 4.060 5 20 IIBD CC[C@@H](C)N(C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)c1ccc(C(N)=O)cc1 463606784 OWAQQOVTWYEIHX-LLVKDONJSA-N 434.290 4.210 5 20 IIBD Cc1ccc(CNC(=O)C2CCN(C(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)CC2)cc1F 463948744 HVEJKTVYDSEPKT-UHFFFAOYSA-N 442.491 4.219 5 20 IIBD COc1ccc(NC(=O)N(CCCOc2ccccc2)C2CCOCC2)cc1[N+](=O)[O-] 463958629 MHXMZRUIYFQPBR-UHFFFAOYSA-N 429.473 4.085 5 20 IIBD COc1cc(CN2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)c([N+](=O)[O-])cc1F 464686103 CHHPLVPTVAUVOG-INIZCTEOSA-N 430.480 4.085 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 464709495 JILROYONGSTKPL-KRWDZBQOSA-N 442.541 4.048 5 20 IIBD O=[N+]([O-])c1cc2c(cc1Cc1nc(-c3ccc(Oc4ccccc4)nc3)no1)OCCO2 467249242 CYMWRLBGDGPCID-UHFFFAOYSA-N 432.392 4.194 5 20 IIBD CC1(C)CN(C(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C[C@H]1O 468578945 RMKKLUJOWNYSBF-TUOAVLBBSA-N 437.521 4.365 5 20 IIBD CCC[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(F)cc1F 468629353 VEISXYWQNIEINM-CQSZACIVSA-N 443.353 4.071 5 20 IIBD CCOC(=O)[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cccc(C)c1C 472097659 XVBPYULIZJOSHN-RUZDIDTESA-N 442.515 4.192 5 20 IIBD CC[C@H]1NC(=O)N(c2cccc(NCc3csc(-c4cccc([N+](=O)[O-])c4)n3)c2)C1=O 475577506 YVVWOHCETJTDJK-GOSISDBHSA-N 437.481 4.165 5 20 IIBD O=C(N[C@@H](CCc1ccccc1)C(F)(F)F)C1CCN(c2ccccc2[N+](=O)[O-])CC1 478724515 PPWOLOBVXRSNJF-FQEVSTJZSA-N 435.446 4.491 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cnn(-c2ccc(C)cc2)c1C(C)C 481886175 GBOYUQYUJGBCTL-QGZVFWFLSA-N 439.520 4.083 5 20 IIBD CCN(Cc1cccc(Cl)c1)C(=O)[C@@H](CCSC)NC(=O)c1cccc([N+](=O)[O-])c1 482340327 ALXBKQJPPOPEQF-LJQANCHMSA-N 449.960 4.148 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1=O 483108388 YLVIJUGQODIXIA-HXUWFJFHSA-N 441.553 4.326 5 20 IIBD O=C(Nc1cccc(-c2ccc3c(c2)OCCO3)n1)c1cc([N+](=O)[O-])ccc1OC(F)F 485594227 AXAAIHJVVWNXDZ-UHFFFAOYSA-N 443.362 4.282 5 20 IIBD CSc1cccc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-] 485760629 SQOSXRISYMFPSR-UHFFFAOYSA-N 428.297 4.334 5 20 IIBD Cc1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1C(=O)N(C)C 486190347 NOPKWTSBUYEMBA-UHFFFAOYSA-N 433.464 4.436 5 20 IIBD COC(=O)c1cc(NC(=O)NC[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)c(C)c([N+](=O)[O-])c1 486860195 RVGQLSUXYIBJHU-LAUBAEHRSA-N 441.484 4.288 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)N1c2ccccc2CCc2ccccc21 487875841 RFBFZGXNRFYBSQ-UHFFFAOYSA-N 425.444 4.373 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)cc1C 488374071 OMTCJPYJCDMYOI-AWEZNQCLSA-N 440.905 4.081 5 20 IIBD O=C1NCc2c(N[C@H](C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c3ccccc3)cccc21 488375648 URTJVQJEDQMYBM-FQEVSTJZSA-N 436.855 4.284 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1sc2c(c1C(=O)c1cccs1)CCCC2 488830045 OHMFOOWYCFXIMI-UHFFFAOYSA-N 444.538 4.361 5 20 IIBD O=C(CN1CCC(n2ccc([N+](=O)[O-])n2)CC1)Nc1cc(Cl)c(Cl)cc1Cl 489047547 SPUBWFPGYVAUHD-UHFFFAOYSA-N 432.695 4.027 5 20 IIBD CC[C@H](NC(=O)NCc1ccccc1CN1C[C@H](C)O[C@H](C)C1)c1cccc([N+](=O)[O-])c1 489344537 ZCNCAOUUKFSSES-IXFSTUDKSA-N 440.544 4.155 5 20 IIBD Cc1ccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1S(=O)(=O)C1CCCC1 491194822 PXRWDUIAWCFEQI-UHFFFAOYSA-N 441.509 4.282 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)cc1[N+](=O)[O-] 491755925 ANXHAUWSNNYGPA-UHFFFAOYSA-N 439.921 4.146 5 20 IIBD C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 493177519 CNCBUCCQYWTYTP-HNNXBMFYSA-N 427.892 4.177 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F 494038224 KDXNYNQOQVJUKA-UHFFFAOYSA-N 434.443 4.152 5 20 IIBD CCCOc1cc(NC(=O)Nc2cc(C3CCOCC3)[nH]n2)c([N+](=O)[O-])cc1OCCC 494563243 STBYEORXMVDIBD-UHFFFAOYSA-N 447.492 4.434 5 20 IIBD COCCN(Cc1cc(Br)cs1)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 494615996 CSPUZAGQONIFKP-UHFFFAOYSA-N 428.308 4.408 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2CN2CCCCCC2)cc1OC 495165492 KQFFVXUPPBYWOU-UHFFFAOYSA-N 441.528 4.308 5 20 IIBD COc1cc(C(=O)Nc2ccc(CCN3CCCC3)cc2)c([N+](=O)[O-])cc1OC(F)F 500953385 JVNKTPKYHJQHOP-UHFFFAOYSA-N 435.427 4.095 5 20 IIBD CCNc1ccc(C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1[N+](=O)[O-] 504233396 XRUKNCPPXDKCAL-HNNXBMFYSA-N 433.468 4.165 5 20 IIBD O=C(Nc1ccc(Cl)c(OC(F)F)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 506987223 SVLRMEIMWBECIN-UHFFFAOYSA-N 426.807 4.204 5 20 IIBD C[C@H](COc1ccccc1C(F)(F)F)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 508157155 AAPQPLIGEMONRF-CYBMUJFWSA-N 448.401 4.211 5 20 IIBD O=C(NCC1(c2cccs2)CCCCC1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 508835617 UQGAUWSLXDIRJC-UHFFFAOYSA-N 441.553 4.166 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@@H](c1cccs1)C1CC1 509126678 VZTFNYLWJWUZKS-OAHLLOKOSA-N 442.278 4.450 5 20 IIBD CCS[C@H]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(I)c2C)C1 510070804 KKJVZEQCXZYSMX-YPMHNXCESA-N 448.326 4.254 5 20 IIBD Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])n[nH]1 513303709 MQOSZOMPOOAYPB-MRVPVSSYSA-N 436.291 4.003 5 20 IIBD CC(C)CNC(=O)c1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 515615270 RLMQOHIOYMRUKV-UHFFFAOYSA-N 439.390 4.174 5 20 IIBD COCCN(C(=O)c1cc(OC)ccc1[N+](=O)[O-])[C@H](C)c1cccc(C(F)(F)F)c1 517874994 VWFKWHDEGGYPCJ-CYBMUJFWSA-N 426.391 4.472 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(-c3nc(-c4ccc(CN5CCOCC5)cc4)no3)cs2)c1 518876804 DQZXFXYNYACFID-UHFFFAOYSA-N 449.492 4.268 5 20 IIBD O=C(CN1CC[C@](F)(c2ccccc2F)C1)Nc1ccc([N+](=O)[O-])cc1Br 519587519 AVPDOSUEPXNAJF-GOSISDBHSA-N 440.244 4.006 5 20 IIBD COc1cc(-c2noc(-c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)n2)cc(Cl)c1OC 520302234 PRMHWKVMKXZZEV-UHFFFAOYSA-N 427.804 4.168 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)CCOc1ccccc1[N+](=O)[O-] 520678808 POMRGAIMCHYKFT-QGZVFWFLSA-N 425.485 4.325 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccccc2NC(=O)Cc2cccs2)cc1C 520764240 RZGBSLILBOBFSZ-UHFFFAOYSA-N 445.522 4.255 5 20 IIBD C[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccc(OCc2cccnc2)cc1 521533522 DYSKUABYOZFRTR-KRWDZBQOSA-N 430.464 4.401 5 20 IIBD COc1ccc(CSCC(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cc1[N+](=O)[O-] 523406435 XQMRGEUGRLVEOG-QGZVFWFLSA-N 446.500 4.097 5 20 IIBD COC(=O)[C@H]1CC12CCN(C(=O)Nc1cccc(Oc3ccc([N+](=O)[O-])cc3)c1)CC2 524223627 ZMKFUMUPQTYPSX-LJQANCHMSA-N 425.441 4.194 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c1 524568576 PVOZXCRYPNNGPE-UHFFFAOYSA-N 425.182 4.177 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn23)C1 530777139 PLSQGOLNRIUSSA-GFCCVEGCSA-N 434.378 4.068 5 20 IIBD Cc1c(CC(=O)NC2(c3cccc(Br)c3)CCOCC2)cccc1[N+](=O)[O-] 532674722 JRGQEVYLXRDDEB-UHFFFAOYSA-N 433.302 4.030 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1cccc(CCN2CCCC2)c1 535814064 WGWWNEXORVGAAD-UHFFFAOYSA-N 432.318 4.177 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N1CC=C(C(F)(F)F)CC1 535993495 KVPJRRNBUABKFT-UHFFFAOYSA-N 427.404 4.094 5 20 IIBD COc1cc(NC2CCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)cc(OC)c1 536346911 ANGMNADJEIFIGM-UHFFFAOYSA-N 438.484 4.344 5 20 IIBD CC[C@@H](C)Cc1c(C)sc2nc(SCCn3cc([N+](=O)[O-])ccc3=O)nc(O)c12 536447278 GCNAMDXYHPISMP-LLVKDONJSA-N 434.543 4.156 5 20 IIBD COc1cc(CCC(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cc(OC)c1 537149652 DJPAFAGVTHNWKO-UHFFFAOYSA-N 427.482 4.331 5 20 IIBD CCc1ccc(NC(=O)c2nnc(CN[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)s2)cc1 537173658 CKSBXEFKQCGYOJ-CQSZACIVSA-N 425.514 4.420 5 20 IIBD C[C@H](Nc1cnn(CCN2CCOCC2)c1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 537446811 WLZJFCKVTOSGEP-INIZCTEOSA-N 427.530 4.025 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 538043074 YEDQIOASUIGBHU-MPBGBICISA-N 446.301 4.274 5 20 IIBD COc1cc(CNc2nnc([C@@H]3CCCO3)o2)c([N+](=O)[O-])cc1OCc1ccccc1 539693545 GLEHHMANUXNJMU-KRWDZBQOSA-N 426.429 4.029 5 20 IIBD CCc1cnccc1[C@@H](C)NC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 540198829 LIGQLKZXIJZBBG-MRXNPFEDSA-N 446.507 4.340 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@@H](c4n[nH]c(C5CCCCC5)n4)C3)n2)cc1 540864499 IVKYUOAAERUHRQ-QGZVFWFLSA-N 437.504 4.190 5 20 IIBD C[C@H](C(=O)N1[C@H]2CC[C@H]1CC(N(C)C(=O)c1ccccc1)C2)c1ccc([N+](=O)[O-])cc1F 542528144 QRHYGLLMBWLALB-SZMVWBNQSA-N 439.487 4.132 5 20 IIBD O=C(c1cccc(Cl)c1Cl)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 542771770 KNDJQZUJSVEUPK-UHFFFAOYSA-N 434.283 4.130 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 542995880 JLOOBTVBNJJQPB-LJQANCHMSA-N 446.385 4.013 5 20 IIBD Cn1ccnc1[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 544049321 DVWLIUMNUBPCFB-SFHVURJKSA-N 434.880 4.119 5 20 IIBD CC(=O)Nc1cc(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)cc(C(F)(F)F)c1 544545025 OYDVQZQTHUUUFB-UHFFFAOYSA-N 435.362 4.277 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 546071095 MABFPEVMFROGAQ-ZDUSSCGKSA-N 435.502 4.346 5 20 IIBD Cc1ccc([C@H](NCc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H](C)S(C)(=O)=O)cc1 549674263 MZKNXVRGQONHKI-SCLBCKFNSA-N 430.448 4.186 5 20 IIBD O=[N+]([O-])c1cccc(Br)c1OC[C@H](O)COc1cccc(C(F)(F)F)c1 550175481 WREYUPZNPGMPAL-LLVKDONJSA-N 436.180 4.195 5 20 IIBD C[C@@H](Cc1cnc2ccccc2n1)C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 550649161 FGUPVQOZHBRAAN-AWEZNQCLSA-N 432.402 4.308 5 20 IIBD O=C(N[C@H](c1c[nH]c2ccccc12)C(F)(F)F)c1cc(O)nc2ccc([N+](=O)[O-])cc12 553156176 TYWCMJXNDLYNPQ-GOSISDBHSA-N 430.342 4.363 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1ccc(Br)cn1 554688462 TUGWGJYVCXOENX-GOSISDBHSA-N 433.306 4.308 5 20 IIBD COc1cc(CN2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)c([N+](=O)[O-])cc1OC(F)F 556084316 VRILAPRWEVDDIP-VUNQQRPYSA-N 428.476 4.356 5 20 IIBD CN(Cc1ccco1)Cc1ccccc1CN[C@H](c1ccc([N+](=O)[O-])cc1)c1nccn1C 556867647 HLTUPSQCBCMTDS-XMMPIXPASA-N 445.523 4.433 5 20 IIBD CCOc1cc(CN2CC3(CCC3)[C@@H]2C2CC2)ccc1OCCn1c([N+](=O)[O-])cnc1C 558570988 ZZIGVOLVDZIEPV-QHCPKHFHSA-N 440.544 4.342 5 20 IIBD COCCc1ccnc(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c1 561172240 NHWSWYFTHCIOQS-UHFFFAOYSA-N 430.511 4.347 5 20 IIBD CC[C@H](c1cccc(OC)c1)N(C)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 564093988 GSQCNUFQBNXDPK-QGZVFWFLSA-N 443.319 4.138 5 20 IIBD CN1CC[C@@H](NCCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1c1ccc(Cl)cc1 568803332 OCQVDYXIWVNLKI-DENIHFKCSA-N 426.904 4.481 5 20 IIBD CCn1cnnc1NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 569111229 UHVXZJKHKSGGMT-PTNGSMBKSA-N 434.481 4.385 5 20 IIBD CCN(CC)CCCC1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 569262291 GTASKAPZVZVMRF-MRXNPFEDSA-N 425.957 4.376 5 20 IIBD C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 570183083 WSFJNHDHESCVCK-MLPAPPSSSA-N 428.432 4.210 5 20 IIBD CCOc1ccc(C(=O)CCc2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)cc1F 580243038 BMFOZOAMILNWRT-UHFFFAOYSA-N 438.415 4.403 5 20 IIBD C[C@@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ncccc1F 590538836 CNUKOGIKOTXRMZ-MRXNPFEDSA-N 445.454 4.402 5 20 IIBD C[C@H](c1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1)N1CCOCC1 592428258 XDCPKLRDLVZNEE-LJQANCHMSA-N 441.531 4.187 5 20 IIBD COCCN(C(=O)[C@H](C)Oc1cccc(C)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603461414 PORVCVGGOUVRKY-INIZCTEOSA-N 441.509 4.474 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 603712915 WHBNHYOVBVOKLM-UHFFFAOYSA-N 446.488 4.050 5 20 IIBD COc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 604040275 CZERFCWBPLBVLD-HNNXBMFYSA-N 431.297 4.436 5 20 IIBD CN(C)CCCOc1cccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 609508026 RQVRPNVGEOCJRM-UHFFFAOYSA-N 426.498 4.301 5 20 IIBD CN(C)C(=O)c1ccc(Cl)c(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c1 609723233 VTQMTHKRNVQOQB-UHFFFAOYSA-N 426.256 4.011 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CCN(Cc4ccccc4)C[C@H]3CO)s2)cc1 610137588 LIEQUOARBFSEAP-REWPJTCUSA-N 437.565 4.296 5 20 IIBD O=C(Nc1ccccc1-c1cccs1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 610140819 RZBPKZXIXJNEGC-UHFFFAOYSA-N 436.493 4.313 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCCc1ccc(C(F)(F)F)cc1 610664991 TWUDSBDTWQXQMG-UHFFFAOYSA-N 431.208 4.278 5 20 IIBD C[C@H](c1nc2ccccc2s1)N1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 610769477 HVXAINANOOEGRU-GFCCVEGCSA-N 448.346 4.245 5 20 IIBD Cc1nc2ccnn2c(C)c1CCC(=O)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] 615040819 SEGQTTPGBQPZJW-UHFFFAOYSA-N 445.479 4.405 5 20 IIBD Cc1cc(OCC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] 619526794 KENXMIIQMMPKAR-GHMZBOCLSA-N 428.329 4.308 5 20 IIBD O=C(COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])Nc1ccc(OCc2ccccc2)cc1 725936798 KNQYSGRZFUATLE-UHFFFAOYSA-N 442.374 4.248 5 20 IIBD CC[C@@H](OC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2)C(N)=O 726992325 JVHASCNUVLSSOW-RDOKFVIMSA-N 445.475 4.441 5 20 IIBD CCSc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cn1 727925233 YKTGGERCSTZFHH-SNVBAGLBSA-N 443.403 4.305 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@H](CC(F)(F)F)c1ccc(Br)cc1 731993449 ANXSQMKDEPULPN-GFCCVEGCSA-N 436.184 4.099 5 20 IIBD CCn1cc(C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cn1 734044336 YHZHVYPSOJHRDF-GOSISDBHSA-N 428.832 4.001 5 20 IIBD CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccccc1Cl 734342698 WKFFHDJQBKNMIN-RBZFPXEDSA-N 433.867 4.254 5 20 IIBD CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)Oc1cc([N+](=O)[O-])c(Cl)cc1C 735644217 LMNDPGSUJSSIFJ-MRXNPFEDSA-N 432.860 4.166 5 20 IIBD CN1C(=O)CC[C@H](COC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(C(F)(F)F)cc1 737372609 DMHWLTVDZVWVPN-DNVCBOLYSA-N 436.386 4.380 5 20 IIBD Cc1ccc([C@@H]2CCCCCN2C(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)o1 737750610 FRVLXVJWOAZSBQ-YJBOKZPZSA-N 429.448 4.132 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)O[C@@H]1CCN(c2ccc(Cl)cc2)C1=O 740212583 REUOPUZBFKNDMW-JOCHJYFZSA-N 446.890 4.157 5 20 IIBD O=C(NC[C@H](O)c1c(Cl)cccc1Cl)c1csc(-c2cccc([N+](=O)[O-])c2)n1 740941289 CQMXOYHCDITDFK-HNNXBMFYSA-N 438.292 4.489 5 20 IIBD Cn1c([C@@H]2CCCN2C(=O)c2ccc(Br)c([N+](=O)[O-])c2)nc2ccccc21 743653659 SZADBIWJOZSPGB-INIZCTEOSA-N 429.274 4.221 5 20 IIBD CCc1ccc([C@H](C)NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 744562473 KTAIOANSDNIIOS-IRXDYDNUSA-N 439.512 4.180 5 20 IIBD CC(C)CC(=O)Nc1ccccc1C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 744642284 BLKGMDQDDMBQRT-CYBMUJFWSA-N 447.875 4.417 5 20 IIBD Cc1c(C(=O)O[C@@H]2CCCN(c3ccccc3Cl)C2=O)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 744899209 RIJRFEBXRKPCGO-QGZVFWFLSA-N 447.831 4.126 5 20 IIBD COc1ccc(CC(=O)OCc2ncc(-c3ccc(Br)cc3)o2)cc1[N+](=O)[O-] 744945444 VEFVYKYFOGUUBG-UHFFFAOYSA-N 447.241 4.307 5 20 IIBD C[C@@H](CC(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1C(F)(F)F 745222654 LRWHTMXVYUCVAT-NSHDSACASA-N 428.338 4.428 5 20 IIBD O=C(COC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1)Nc1ccc([N+](=O)[O-])cc1Cl 745745162 YAYNOXFPYCURLG-HNNXBMFYSA-N 447.658 4.160 5 20 IIBD C[C@@H](OC(=O)c1cc(Oc2ccccc2)ccn1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 745761684 GUEAJDDIPGKEON-CYBMUJFWSA-N 425.372 4.105 5 20 IIBD Cc1c(C(=O)NCc2ccc(CN3CCC[C@@H](C)C3)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748708060 HTFDMHQMQCIWBK-OAHLLOKOSA-N 440.500 4.282 5 20 IIBD CC[C@@](C)(CCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)C1OCCO1 750890204 JUYNBYWIWPWDFH-KRWDZBQOSA-N 449.729 4.310 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])OCc1cccc(Br)c1OC(F)F 751619818 UKYANCUXOZKEQW-UHFFFAOYSA-N 432.173 4.081 5 20 IIBD Cc1cc(F)cc(C(=O)OCC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-] 752552883 DXAOQSDKEWBIAQ-UHFFFAOYSA-N 429.231 4.165 5 20 IIBD CN(C)CCn1ccc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3Br)cc21 753825019 LIVGTXBTOIPVKV-UHFFFAOYSA-N 431.290 4.126 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]1C[C@H](O)c1cccs1 754396866 GGMMDUWGJYADKC-ABAIWWIYSA-N 425.304 4.147 5 20 IIBD Cn1ccnc1[C@H](CCc1ccccc1)OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 754743306 XXIMEGAHVNKOAT-NRFANRHFSA-N 431.452 4.045 5 20 IIBD O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cc(F)cc([N+](=O)[O-])c1Br 754990040 PTPLBKXAUGKEML-RDJZCZTQSA-N 441.228 4.286 5 20 IIBD O=C(N[C@H](CN1CCCCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1Br 760839957 XJVXNEGHCIEIDL-QGZVFWFLSA-N 432.318 4.314 5 20 IIBD O=[N+]([O-])c1ccc(I)c(-c2nc(-c3cc(F)cc(F)c3)no2)c1 761594217 LJECREDDVVJNFC-UHFFFAOYSA-N 429.120 4.195 5 20 IIBD O=C(NC[C@H](O)c1cccc(OCc2ccccc2)c1)c1cc2cc([N+](=O)[O-])ccc2o1 761609065 UEAVABNHALJHJS-NRFANRHFSA-N 432.432 4.383 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)c1ccc2c(c1)CCN2C(C)=O 763810163 IGIVGWZXHBXCRU-CYBMUJFWSA-N 442.493 4.044 5 20 IIBD Cc1nn(CC(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])cc1-c1ccccc1 766871848 IUVJHDVZFAJVRH-DEOSSOPVSA-N 428.448 4.495 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)O[C@H]1CCOC[C@@H]1OCc1ccccc1 767013083 XLMRRSIUGRNEOR-DQEYMECFSA-N 443.499 4.072 5 20 IIBD COc1ccc(-c2nc(C)c([C@H](C)NS(=O)(=O)c3csc([N+](=O)[O-])c3)s2)cc1 768835898 STJAIABJGRISSS-NSHDSACASA-N 439.540 4.136 5 20 IIBD O=c1c2cc(-c3ccccc3)sc2ncn1Cc1nc(-c2ccc([N+](=O)[O-])s2)no1 771217983 WZVQXGUIULVOHY-UHFFFAOYSA-N 437.462 4.193 5 20 IIBD CC1(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CCN(Cc2ccccc2)CC1 772718471 JZLHLLXBHSHGDO-UHFFFAOYSA-N 445.903 4.032 5 20 IIBD C[C@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@H](C)CN1C(=O)OC(C)(C)C 772864293 QFMWYLJHHISNCI-MSOLQXFVSA-N 449.551 4.011 5 20 IIBD CC(C)(C)OC(=O)C1(NC(=O)c2ccc([N+](=O)[O-])cc2Br)CCCCC1 773126207 NLWOZYFHRMXBEW-UHFFFAOYSA-N 427.295 4.132 5 20 IIBD Cc1csc(-c2cccc(OC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)c2)n1 776316799 LXTQHLOMBJCRRR-UHFFFAOYSA-N 425.466 4.083 5 20 IIBD Cc1ccc2c(c1)SCCCN2S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 777694393 JZUNKXOUUKFJLE-UHFFFAOYSA-N 443.344 4.357 5 20 IIBD O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 778785290 FZMPKJCRRAPWGK-SFHVURJKSA-N 442.859 4.053 5 20 IIBD CC(C)(C)OC(=O)N1CCCCC[C@@H]1c1noc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 779590450 MGUCSBGFVLLNKD-OAHLLOKOSA-N 433.421 4.405 5 20 IIBD CC(C)(C)OC(=O)N1CCOC[C@H]1c1noc(-c2ccc3[nH]c4ccccc4c(=O)c3c2)n1 780353173 AAKZRZRYMSEFJF-IBGZPJMESA-N 448.479 4.040 5 20 IIBD CCc1ccc([C@@H](C)NC(=O)COC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 781259489 FEVGAFPABIYWKS-MRXNPFEDSA-N 428.488 4.278 5 20 IIBD Cc1nn(-c2ccccc2)c2nc(C(=O)O[C@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)ccc12 783410622 UBVAIEPRGNWCMM-UXHICEINSA-N 446.467 4.174 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC(c2ccccc2Br)CC1 784262649 OWZNAAWCWDPNGF-UHFFFAOYSA-N 434.246 4.285 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)OCC(=O)N(C)C(c1ccccc1)c1ccccc1 784955011 DEFGBKWXGXZDPG-UHFFFAOYSA-N 434.448 4.008 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1cc2ccccc2o1 785949247 OHKPQCULZDRHFL-QWHCGFSZSA-N 430.844 4.346 5 20 IIBD Cc1ccc(Br)nc1C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 786639094 REEYUWPGPLEHBB-UHFFFAOYSA-N 433.287 4.461 5 20 IIBD O=C(O[C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1)c1cccc(Oc2cnccn2)c1 787024173 FEFVBWRJPBCBNE-SFHVURJKSA-N 438.415 4.142 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC[C@@H](O)c1ccc2ccccc2c1 787340413 FOUQQSALLVGWHY-LJQANCHMSA-N 433.386 4.300 5 20 IIBD CC(C)N(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(CC(=O)N(C)C)cc1 799450495 ZJFFTAQYSBYNEJ-UHFFFAOYSA-N 447.919 4.089 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Br)N1CCC(N2CCc3ccccc32)CC1 800109710 UQRPCGURXLPBMS-UHFFFAOYSA-N 430.302 4.025 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CCc2sccc2[C@@H]1c1cccs1 800626651 KAGDVOVTYJKWOZ-GOSISDBHSA-N 445.497 4.278 5 20 IIBD CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1Br 801043159 BVKFMWJMMGFMLO-SFHVURJKSA-N 446.345 4.388 5 20 IIBD O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)OCc1c(F)cc([N+](=O)[O-])cc1F 803214882 MNNSEQYOSRLEHJ-UHFFFAOYSA-N 441.799 4.412 5 20 IIBD O=[N+]([O-])c1cc(OS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)ccc1Cl 808349826 NEIFJTFINHOKFP-LLVKDONJSA-N 448.280 4.085 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N(Cc2cccc(O)c2)CC2CC2)c(Cl)cc1Cl 809819484 VNFZASJJYBRGOM-UHFFFAOYSA-N 431.297 4.208 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1=S 811790300 LZEOIBOGOKIKSQ-MSOLQXFVSA-N 429.546 4.000 5 20 IIBD C[C@@H](C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cccc(Br)c1 812607891 BENZOYKFPKGGLO-LLVKDONJSA-N 432.230 4.254 5 20 IIBD CC(C)(CCc1noc([C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)n1)[N+](=O)[O-] 812812017 STCBJIIASMMJNV-AWEZNQCLSA-N 427.288 4.342 5 20 IIBD O=C(Nc1ccc(F)c(-n2nnnc2C2CC2)c1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813026099 KWLWOTIWLQLXOW-UHFFFAOYSA-N 437.218 4.146 5 20 IIBD COc1ccc([N+](=O)[O-])cc1OC(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1 815905746 ZCIGJHXPOOEDNG-UHFFFAOYSA-N 431.832 4.220 5 20 IIBD Cc1ccc(NC(=O)c2nnc(COC(=O)c3ccc([N+](=O)[O-])cc3Cl)s2)cc1 844264387 CADHWDOAMDOCMO-UHFFFAOYSA-N 432.845 4.017 5 20 IIBD CC(C)[C@@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1F 877067526 JRHIGAHDJBNTOU-HXUWFJFHSA-N 429.448 4.154 5 20 IIBD CCOC(=O)N(C)c1ccc(NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)cc1 919862650 MTJGAYIKALJXSH-UHFFFAOYSA-N 433.486 4.068 5 20 IIBD CC(C)COC(=O)Nc1cccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 920314636 PMGDHTKHIIDBRI-UHFFFAOYSA-N 427.866 4.254 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1 1252015509 UKDATMSCMOOGKB-UHFFFAOYSA-N 441.465 4.085 5 20 IIBD CC1=C(C(=O)N(C)C)[C@H](c2cc([N+](=O)[O-])ccc2Cl)NC(=S)N1c1ccccc1F 1317804797 FHDFUEAIQXNXLE-SFHVURJKSA-N 448.907 4.185 5 20 IIBD CC(C)n1ncc2c1[C@@H](Nc1cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c1Cl)CCC2 1320255801 ZDCGLIDHBJCTMV-INIZCTEOSA-N 428.880 4.061 5 20 IIBD COc1ccc(N(Cc2ccccc2)C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)cc1OC 1321415449 PDMPGVJPLZVAEZ-UHFFFAOYSA-N 438.484 4.049 5 20 IIBD O=C1Nc2ccccc2[C@@H]1C1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 1325218992 WORZXNGXSFJPHA-IBGZPJMESA-N 430.302 4.305 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)NC[C@H](CO)CC3CCOCC3)cc2[N+](=O)[O-])cc1 1339159656 OPSKTHUUMODABS-GOSISDBHSA-N 444.553 4.209 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1Cl 1799539350 MCWRDYDUKUDWKT-SQSUDPNUSA-N 439.899 4.213 5 20 IIBD Cc1c(Cl)cccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1F 1800348971 HGPIVODOZKONJW-QDMKHBRRSA-N 445.878 4.261 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C2CC2)cc1 1800727627 KDNXLEKBIBIDPX-NUNAXRQHSA-N 447.535 4.357 5 20 IIBD CCC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(O)c([N+](=O)[O-])c3)CC2)CCC1 1830487200 AMAGGJOYWVGFJF-LJQANCHMSA-N 443.544 4.114 5 20 IIBD C/C=C(/C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1832904474 UDJQTURURYDOIQ-YNGOOKITSA-N 425.529 4.194 5 20 IIBD CC[C@H](C(=O)N1CCCC12CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])C2)c1ccccc1 1842621460 ZTEVDAUCZIAXHH-ARKBFRDHSA-N 433.508 4.005 5 20 IIBD CC(C)(C)CCCCCC(=O)N1CCCC12CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)C2 1846087070 PVGBTFSLTVLMCD-UHFFFAOYSA-N 431.533 4.114 5 20 IIBD CN(C(=O)CSc1nnc(-c2cccc(Br)c2)o1)c1ccc([N+](=O)[O-])cc1 10347630 JIMHKWOFDOTBPH-UHFFFAOYSA-N 449.286 4.162 5 20 IIBD O=C(OCc1nnc(-c2ccccc2Cl)o1)c1ccc(Br)c([N+](=O)[O-])c1 12090096 SDCHIIRTQBRBHI-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\c1ccc(OC[C@@H]2CCCO2)cc1 14176360 SZYFAJRWLHMYBN-PMFHANACSA-N 428.828 4.151 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCc1nnc(-c2ccc(Br)s2)o1 18187429 VVHIQBOEQHPVAS-FPYGCLRLSA-N 436.243 4.225 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCc1nc(-c2ccccc2)no1 18968867 SRMIWXXGOJCOIE-UHFFFAOYSA-N 436.346 4.209 5 20 IIBD COc1ccc(NC(C)=O)cc1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 19203267 UGPUDIIGVQZMDP-UHFFFAOYSA-N 440.378 4.021 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 19426016 GLWJPEWXVNYTAO-UHFFFAOYSA-N 440.412 4.349 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@H](C)c3nc4ccccc4s3)CC2)c1 32211210 LXWFCFYWFLKJMD-CQSZACIVSA-N 442.566 4.445 5 20 IIBD CCOc1cc(C(=O)NCc2cccc(CN3CCCCCC3)c2)c([N+](=O)[O-])cc1OC 61503722 SCCFRNAVCNXGBX-UHFFFAOYSA-N 441.528 4.308 5 20 IIBD CC(C)c1c(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(Cl)cc1 105820118 CGHVJMCIIUJLMM-UHFFFAOYSA-N 427.892 4.399 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])N1CCc2[nH]c3c(Br)cccc3c2C1 108858746 SMROTWZFDKUWIX-UHFFFAOYSA-N 443.301 4.226 5 20 IIBD O=C(O)c1cc(C(=O)N[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)cc([N+](=O)[O-])c1 237989941 SBLPZVCPCYZEMD-MRXNPFEDSA-N 441.440 4.363 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1Oc1ccc2nnc(-c3ccccc3F)n2n1 301967197 WCGZDELFGQSFQY-UHFFFAOYSA-N 430.193 4.393 5 20 IIBD O=[N+]([O-])c1ccsc1N1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 301989100 LZCWHYDAZRDTKJ-UHFFFAOYSA-N 439.419 4.047 5 20 IIBD Cc1cc(NCc2ccccc2CN2CCC(O)CC2)c(Br)cc1[N+](=O)[O-] 302713380 XLTGQLMUDDJRDR-UHFFFAOYSA-N 434.334 4.235 5 20 IIBD CCOc1ccc(C(=O)NCc2cc(Br)ccc2OC(F)F)cc1[N+](=O)[O-] 303137226 SYAMCBQLEYDCGL-UHFFFAOYSA-N 445.216 4.287 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)cc([N+](=O)[O-])c1 303470492 IPUYMKSITGTKSE-UHFFFAOYSA-N 439.443 4.412 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c1 303577278 OBOOUFLQXSWNDM-OAHLLOKOSA-N 439.459 4.340 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2 409576703 OUHAHTIRJGQURB-HNNXBMFYSA-N 429.523 4.433 5 20 IIBD CCS[C@@H](C)c1noc(CN(C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 409701905 OICRHTICHNHQML-NSHDSACASA-N 433.515 4.188 5 20 IIBD CSc1cccc(C(=O)NCc2ccc(I)c(C)c2)c1[N+](=O)[O-] 410031079 SYNVGYLDEZNZBE-UHFFFAOYSA-N 442.278 4.160 5 20 IIBD COc1ccc(Br)c(CN(C)C(=O)CSc2ccccc2[N+](=O)[O-])c1 429038192 BCIAPUYBCZDDJE-UHFFFAOYSA-N 425.304 4.117 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 429202004 HPDZNZPVNJUTEP-KRWDZBQOSA-N 440.500 4.036 5 20 IIBD C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CCC(c2ccncc2)CC1 429571597 DUTDYQXLEOFUMC-OAHLLOKOSA-N 437.525 4.320 5 20 IIBD C[C@H]1CC(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)COc1ccccc1[N+](=O)[O-] 430440674 MTSZBVUGSMGQBE-SFHVURJKSA-N 445.475 4.332 5 20 IIBD CCn1nccc1C1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 434012825 RPIAKZLWTFNDBW-UHFFFAOYSA-N 434.496 4.410 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Cc1nc(-c2ccccc2)cs1 435689925 AJDSIMKDYOUQOI-UHFFFAOYSA-N 439.312 4.455 5 20 IIBD CN(C)[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1cccs1 435833446 DPLOSHFMCFINCF-QGZVFWFLSA-N 427.476 4.054 5 20 IIBD CCOc1cc(C(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)c([N+](=O)[O-])cc1OC 436181085 YECGJIRYSBCPHL-UHFFFAOYSA-N 436.468 4.454 5 20 IIBD CC(C)(C)c1nc2cc(NC(=O)C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)ccc2o1 437053095 XWRTUQOBAHXAAS-UHFFFAOYSA-N 436.468 4.163 5 20 IIBD CCC[C@@]1(C)CCCN(C(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 437370115 GKNPOYXJAWAHRE-QFIPXVFZSA-N 445.541 4.438 5 20 IIBD Cc1cc(N2CCC(NC(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)CC2)n[nH]1 439951230 CAHJGSSKXSJIOG-UHFFFAOYSA-N 437.525 4.176 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 444112723 CTYQFSAKSAOKSJ-UHFFFAOYSA-N 443.459 4.273 5 20 IIBD Cc1c(Cl)cccc1NC(=O)Cc1noc(CCCNc2ccc([N+](=O)[O-])cc2)n1 445336672 ZXINGDLPKRTBAC-UHFFFAOYSA-N 429.864 4.166 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 446490015 HCHCAAQHCJQABU-OAQYLSRUSA-N 439.493 4.218 5 20 IIBD Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1 466297943 JNWHDAVOSYTVKL-UHFFFAOYSA-N 445.932 4.163 5 20 IIBD CN(Cc1cc(Cl)cn1C)C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 466831961 APNOHYDYTVSTQS-UHFFFAOYSA-N 442.690 4.351 5 20 IIBD C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 467757145 XBXRNGNUNFORNR-LOFXOBHGSA-N 440.490 4.361 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC(Cc2ccc(F)c(F)c2)CC1 469374699 FNZPLUXPPCBHCU-UHFFFAOYSA-N 426.423 4.154 5 20 IIBD CCC1(CC)Oc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)cc2O1 470724247 RVQSODFZTHDXOM-AWEZNQCLSA-N 445.497 4.187 5 20 IIBD Cc1cccc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1NC(=O)c1ccccc1F 470888868 NNCIEPAFUVLPEE-UHFFFAOYSA-N 449.438 4.198 5 20 IIBD CCCN1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)c(OCC)c2)CC1 471163867 CAZOPBUXMYYOJZ-UHFFFAOYSA-N 426.517 4.086 5 20 IIBD O=C(NCCC(=O)N1CCC(c2cccc3ccccc23)CC1)c1ccc([N+](=O)[O-])cc1 476157563 PMJFMDLGBPYHFE-UHFFFAOYSA-N 431.492 4.274 5 20 IIBD O=C(c1ccc(Sc2ccccc2Cl)nn1)N1CCc2ccc([N+](=O)[O-])cc2C1 479485367 UMUKURLUPJUXAT-UHFFFAOYSA-N 426.885 4.388 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 482252479 BHBXHOSECPGLLG-ZDUSSCGKSA-N 427.810 4.205 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C(=O)NCc2ccccn2)c1 482817155 LPJINHVVLAIOCR-OAHLLOKOSA-N 436.493 4.039 5 20 IIBD O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)nc1-c1ccc(F)cc1 485397563 AVNNHMQRPZCVFO-FPOVZHCZSA-N 436.487 4.091 5 20 IIBD CSc1cccc(C(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)c1[N+](=O)[O-] 485752463 LCBCBUNQIGMAQQ-UHFFFAOYSA-N 441.431 4.424 5 20 IIBD C[S@](=O)c1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1F 485890680 TUZNYAQRAPBBPA-PMERELPUSA-N 428.441 4.303 5 20 IIBD O=C(c1c(Cl)cccc1[N+](=O)[O-])N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 486457643 GWDTZJPHNWREIZ-IVZQSRNASA-N 438.871 4.492 5 20 IIBD C[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCN(Cc2ccccc2)C1 487407177 RQIXZAQRZITCHD-LPHOPBHVSA-N 436.537 4.359 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])Nc1nc(-c2ccc(-n3cccn3)cc2)cs1 487533662 IJNXFNZELRUVBE-UHFFFAOYSA-N 435.465 4.312 5 20 IIBD CCOc1cc2c(cc1OCC)CN([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)CC2 489579138 SGGAJZMHYGSCKM-INIZCTEOSA-N 427.501 4.086 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H](c1ccccc1)c1nc2ccccc2n1C 491055015 SESPJVUNHOZASW-HSZRJFAPSA-N 443.507 4.455 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc([S@](C)=O)c(F)c3)cc2[N+](=O)[O-])C1 495334268 VKAHBULWYRUWJJ-PFBVRONTSA-N 433.505 4.206 5 20 IIBD COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCCc1ccc(Cl)cc1[N+](=O)[O-] 495435459 WPDQBCLBKHFPMF-GFCCVEGCSA-N 426.300 4.460 5 20 IIBD C[C@@H](c1ccc2ccccc2c1)N(C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C1CC1 498425369 WRJYMGHTVDQNTE-KRWDZBQOSA-N 446.507 4.299 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N(Cc1ccccc1)CC1CCOCC1 498469886 DGAQTHPJQFQQCE-UHFFFAOYSA-N 431.920 4.429 5 20 IIBD Cc1ccc(NCCCNC(=O)N[C@H](c2cccc(F)c2)c2ccccn2)c([N+](=O)[O-])c1 499011620 FDCJZRJWHKSZQS-JOCHJYFZSA-N 437.475 4.328 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1nc(-c2ccc3c(c2)Cc2ccccc2-3)cs1 499725044 JLKBMWKJEZDQSW-UHFFFAOYSA-N 444.472 4.090 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@]1(Cc2ccc(Cl)cc2)CCOC1 500337455 QQKCIVFMAXRKAS-SANMLTNESA-N 446.934 4.326 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H](c1cncc(Br)c1)C1CC1 505366293 LMAPNVMDFKTGLR-SFHVURJKSA-N 433.306 4.088 5 20 IIBD CC(C)CCSc1ccc(C(=O)NCc2ccnc(-n3cccn3)c2)cc1[N+](=O)[O-] 505574778 LHCSXFKWCLRSDK-UHFFFAOYSA-N 425.514 4.244 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C 505899962 BMGCEGBKLNQXRQ-KRWDZBQOSA-N 431.876 4.117 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 506341344 JZSSTCZPCVQDDN-UHFFFAOYSA-N 435.362 4.130 5 20 IIBD O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 506727150 ANRHAGUNCWJHPO-UHFFFAOYSA-N 449.463 4.434 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCN(c2cncc3ccccc23)CC1 507845581 QFXKEACZMTVQHP-UHFFFAOYSA-N 445.504 4.229 5 20 IIBD O=C(COc1c([N+](=O)[O-])cnc2ccc(Br)cc12)Nc1ccc(F)cc1F 508150720 NPQXDVJBIQRUIH-UHFFFAOYSA-N 438.184 4.201 5 20 IIBD O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 508913481 OTMLUXGTLAVXPP-SFHVURJKSA-N 437.887 4.264 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N(Cc2ccccc2C(F)(F)F)CC2CC2)cc1 509115162 YMNQMUUOJCTPDW-UHFFFAOYSA-N 428.432 4.356 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)c1cccc2cccnc12 510767878 HSYKQPUSISIZOR-UHFFFAOYSA-N 447.232 4.333 5 20 IIBD Cc1ccc(-c2csc3ncn(Cc4nnc(-c5ccc([N+](=O)[O-])cc5)o4)c(=O)c23)cc1 511326169 MTGCOBKJXQUVMS-UHFFFAOYSA-N 445.460 4.440 5 20 IIBD CC(C)(C)n1nc(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1C1CC1 512447944 XGGAOOSSBDQTPU-UHFFFAOYSA-N 439.438 4.284 5 20 IIBD CC(C)c1c(C(=O)NCCNc2ccccc2[N+](=O)[O-])cnn1-c1ccc(Cl)cc1 512597803 PETKTBGCSQFLIC-UHFFFAOYSA-N 427.892 4.399 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CCC[C@H](n3cccn3)C2)cc1 513111900 OXSCKRGKFQVCCH-QHCPKHFHSA-N 428.496 4.481 5 20 IIBD O=C(Nc1nc(Sc2ccccc2)ns1)N1CCOc2ccc([N+](=O)[O-])cc2C1 514819998 ICRGJPMSQTZHKJ-UHFFFAOYSA-N 429.483 4.024 5 20 IIBD COc1cc(CNCc2c(F)cccc2N2CCCC2)c([N+](=O)[O-])cc1OCC(F)F 519789993 JEHVBUTZVZNMJL-UHFFFAOYSA-N 439.434 4.276 5 20 IIBD COc1ccc([C@H](Cc2ccc(F)cc2)NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 520627613 VXHSGHASABCFME-QFIPXVFZSA-N 444.484 4.146 5 20 IIBD COc1ccc(C(NC(=O)CSc2ncccc2[N+](=O)[O-])c2ccc(OC)cc2)cc1 520938578 DEHHHKLMWUMNJQ-UHFFFAOYSA-N 439.493 4.005 5 20 IIBD Cc1c(C(=O)Nc2ccc(CN3CCCCCC3)cc2)nnn1-c1cccc([N+](=O)[O-])c1 521006518 VQYHSGLHJLSBNM-UHFFFAOYSA-N 434.500 4.112 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 521012802 XPNKEQWAJWDVLB-HSZRJFAPSA-N 435.480 4.260 5 20 IIBD Cc1ccc(-n2nc(C)c(NC(=O)Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)c2C)cc1 521232725 AIUICBVMEVKANU-UHFFFAOYSA-N 430.468 4.208 5 20 IIBD O=C(c1cc(Br)sc1Br)N1CCc2cc([N+](=O)[O-])ccc21 522570610 AJBVCBUGSYFYQW-UHFFFAOYSA-N 432.093 4.384 5 20 IIBD CN(C)C(=O)c1cccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c1 525568000 SBMMDTCANQKRKV-UHFFFAOYSA-N 433.464 4.061 5 20 IIBD CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 531204578 YLNFAEJXBAPONP-DLBZAZTESA-N 426.517 4.063 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)[S@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1C 534060654 JEUBZIZTFGNXLE-INCQDFKNSA-N 427.482 4.143 5 20 IIBD Cc1cnc(-c2ccccc2NC(=O)c2cc(I)cc([N+](=O)[O-])c2)[nH]1 535741244 JXGZHDSRBPTBEB-UHFFFAOYSA-N 448.220 4.150 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1CCC(C(=O)OC(C)(C)C)CC1 535805570 GGGWAACLPJQUED-OPFPJEHXSA-N 426.897 4.032 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc3c2CN(c2ccccn2)C3)cc1OC 536041469 FGEMQDKBQYLKSY-UHFFFAOYSA-N 434.452 4.170 5 20 IIBD COc1cc(CNc2ccc(CC(=O)N3CCc4ccccc43)cc2)c([N+](=O)[O-])cc1OC 536101735 AFTUUUXZAICXIX-UHFFFAOYSA-N 447.491 4.356 5 20 IIBD Cc1cc(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)n2)n(-c2ccc([N+](=O)[O-])cc2)n1 537575986 LSJRUBZMJJBZCW-UHFFFAOYSA-N 436.859 4.489 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CCC1CCN(c2ccncc2)CC1 537846419 SDQITYNTYQPUHR-MRXNPFEDSA-N 445.951 4.209 5 20 IIBD C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](C)[C@@H](OC1CCOCC1)c1ccccc1 537953176 JIYHKTPOGGUWJR-QZTZHPFYSA-N 441.528 4.227 5 20 IIBD CC(C)CN(C(=O)[C@@H](C)OC[C@H]1CCCO1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 538253526 IFFYFEGFOJNJFY-HZPDHXFCSA-N 433.530 4.291 5 20 IIBD O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 538559691 JKQACYJCLBAOON-UHFFFAOYSA-N 426.392 4.236 5 20 IIBD Cc1nn(C)c(NC(=O)NCc2cccc([N+](=O)[O-])c2)c1-c1ccc(Br)cc1 540083541 VAZCFYSPESIHRA-UHFFFAOYSA-N 444.289 4.388 5 20 IIBD CC(C)c1nccn1Cc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)c1 540640005 UREHVZOJJWTFCU-UHFFFAOYSA-N 449.511 4.052 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 541131400 GYVYVRGRQWBHQV-JSGCOSHPSA-N 428.436 4.154 5 20 IIBD CCc1ccc([C@@H](NCc2ccc(C(=O)N3CCOCC3)cc2)c2ccc([N+](=O)[O-])cc2)o1 541549642 VPWJBUMAJWUHIX-DEOSSOPVSA-N 449.507 4.102 5 20 IIBD COc1ccccc1-c1ccc([C@H](C)NC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 542964981 SANGVBFGQKXJTO-KRWDZBQOSA-N 447.491 4.186 5 20 IIBD Cc1nc([C@H](N[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2)no1 543994458 OBKDBPVCCKBMCI-CWTRNNRKSA-N 429.864 4.036 5 20 IIBD O=c1oc2cc([N+](=O)[O-])ccc2n1CCCc1nc(Cc2ccc(Cl)c(Cl)c2)no1 545527177 HSQWFPADCXRCHQ-UHFFFAOYSA-N 449.250 4.416 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2Cc2nc(COCC3CC3)no2)cc1 547158465 MAAQCPIRCORRLN-UHFFFAOYSA-N 431.452 4.348 5 20 IIBD Cc1sc2ncnc(SCCC(=O)N(C)CCc3cccc([N+](=O)[O-])c3)c2c1C 548925378 LHBJQBJZSCPHQV-UHFFFAOYSA-N 430.555 4.400 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3ccc(Cl)s3)cn2)cc1[N+](=O)[O-] 549371841 OUJXUDLTCZRKPR-UHFFFAOYSA-N 437.886 4.028 5 20 IIBD Cc1c(NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cnn1-c1ccccc1F 551728164 VXRZADQXNCUARV-UHFFFAOYSA-N 439.447 4.103 5 20 IIBD O=C(N[C@H](c1c[nH]c2ccccc12)C(F)(F)F)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 553492024 FFNYFDBWSMOHPF-GOSISDBHSA-N 429.358 4.295 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc(OCCCO)cc3)cc2[N+](=O)[O-])C1 553627809 SIQBZXKNLOOREN-IRXDYDNUSA-N 427.501 4.091 5 20 IIBD O=C(c1ccc(Br)cc1)N1CCC[C@@H]1c1nc(-c2cccc([N+](=O)[O-])c2)no1 554788202 FUOMKXUZVNXNCC-MRXNPFEDSA-N 443.257 4.385 5 20 IIBD O=C(c1cccs1)N1CCCC[C@H]1c1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 554816275 JQAKPUWRSYBMQQ-KRWDZBQOSA-N 437.481 4.479 5 20 IIBD COc1cc(-c2noc(-c3cc([N+](=O)[O-])ccc3C(F)(F)F)n2)cc(OC)c1OC 556267217 QIUHLYFLNRDUIZ-UHFFFAOYSA-N 425.319 4.356 5 20 IIBD O=C(CCCc1ccccc1)N1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 559055534 BDNBSZGQXMYAEQ-UHFFFAOYSA-N 432.318 4.029 5 20 IIBD COc1cc(Cl)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1Cl 560834118 QUMANTAHDSUUNB-UHFFFAOYSA-N 443.211 4.312 5 20 IIBD O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCc3nc(-c4ccccc4Cl)sc3C2)c1 577979252 AFGCFFCMAVVKEG-UHFFFAOYSA-N 449.941 4.260 5 20 IIBD COc1cc(CN[C@@H]2CC[C@@](O)(C(F)(F)F)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 589938970 IAJWXGDTDXPPLP-UZLBHIALSA-N 440.418 4.118 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@H]2CCSc3c(F)cccc32)ccc1[N+](=O)[O-] 608803096 GWXRSPIKXVZQPE-HKUYNNGSSA-N 443.500 4.000 5 20 IIBD COc1ccc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c(C(F)(F)F)c1 608807266 ABBCTTYDSFUOHG-JTQLQIEISA-N 432.782 4.359 5 20 IIBD C[C@@H](c1ccco1)N(C)C(=O)c1ccc(C(=O)N(C)[C@H](C)c2ccco2)c([N+](=O)[O-])c1 609043942 IFYOPKKIIFMIRF-LSDHHAIUSA-N 425.441 4.447 5 20 IIBD Cc1nc(-c2ccc(Br)cc2Cl)nn1CC(=O)c1cccc([N+](=O)[O-])c1 609495985 UXWIMEZHEFEGQR-UHFFFAOYSA-N 435.665 4.461 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(CSC2CCCCC2)c1 609748891 AVEKVIPLNYJJIV-UHFFFAOYSA-N 427.526 4.416 5 20 IIBD COc1ccc(C(=O)NCCCC(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)cc1 609859063 FLSGBXYJILQKGX-UHFFFAOYSA-N 425.485 4.089 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1Br)NCCCSc1ccccc1 609961673 GGBBRBSZJDYSEH-UHFFFAOYSA-N 425.304 4.035 5 20 IIBD O=C(N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc([N+](=O)[O-])cc1Br 610041207 QXYNASWSKLBOHW-GOSISDBHSA-N 433.258 4.010 5 20 IIBD CC(C)(C(N)=O)c1ccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 610050469 KWMVYVWAVSARJG-UHFFFAOYSA-N 441.431 4.107 5 20 IIBD CC(C)(C)c1ccc([C@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C(F)(F)F)cc1 610352358 AHHOHXSQMDLLCW-SFHVURJKSA-N 437.418 4.042 5 20 IIBD COc1cc(OCC(=O)N2CCC[C@@H]2c2ccccc2Br)ccc1[N+](=O)[O-] 610672385 PTXXMPOUMCIKML-MRXNPFEDSA-N 435.274 4.108 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N1CCc2c[nH]nc2C1 611011548 BJBQCOMQWYRABY-GZTJUZNOSA-N 445.504 4.443 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](Cn2cnc3ccccc32)C1 614235998 VBUGDTQOITUPRN-IAGOWNOFSA-N 432.484 4.468 5 20 IIBD O=C(CCC(=O)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1)N1CCc2sccc2C1 728166558 LXRPHAGFUCHNQJ-UHFFFAOYSA-N 447.944 4.418 5 20 IIBD Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)NCCNc1ccccc1[N+](=O)[O-] 728169797 AAKSYXVQHBUPHN-UHFFFAOYSA-N 442.859 4.244 5 20 IIBD C[C@@H](OC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O)c1cccc([N+](=O)[O-])c1 729860204 DVHFMGCOCADBGE-CQSZACIVSA-N 435.461 4.338 5 20 IIBD Cc1c(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)cnn1-c1cccc(Br)c1 729944888 BEEHIAZWYPERGE-UHFFFAOYSA-N 437.200 4.382 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)OCc2nnc(-c3cccc(Cl)c3)o2)cc1OC 730292514 KTWCCCYOGCRPIQ-UHFFFAOYSA-N 433.804 4.063 5 20 IIBD COc1ccccc1C[C@H](C)CC(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 730654796 LLGPADGEHWJDCB-UONOGXRCSA-N 434.876 4.396 5 20 IIBD Cc1c(C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)n2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 731018629 XWIULUFJBATHLG-UHFFFAOYSA-N 434.408 4.369 5 20 IIBD C[C@H](CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)Sc1ccc(Br)cc1 731654094 IOTGRDSXHNXHKX-LLVKDONJSA-N 443.294 4.172 5 20 IIBD O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1csc(-c2ccc3c(c2)OCCO3)n1 734896258 NWNOQYHSAQPEBL-UHFFFAOYSA-N 432.841 4.500 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H]1CCN(c2ccccc2OC(F)F)C1 735169844 ZCMUJMIUOMVZGM-LBPRGKRZSA-N 426.807 4.250 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 735644239 LWOQAPNVLVSIII-HNNXBMFYSA-N 441.292 4.331 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Br)Nc1cccc(C(F)(F)F)c1 740409575 FBFGMDLCSRXXPT-UHFFFAOYSA-N 447.163 4.172 5 20 IIBD O=C(CCn1cc([N+](=O)[O-])cn1)O[C@H](Cc1ccccc1)c1ccc(Br)cc1 741115376 JKGSNTQVCVCYPC-LJQANCHMSA-N 444.285 4.471 5 20 IIBD COCC[C@H](Cc1cccc(Br)c1)C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F 741174452 BRABLWMINHCVAD-GFCCVEGCSA-N 443.244 4.469 5 20 IIBD Cc1cc(C)c(OC(=O)[C@@H]2CCCN(C(=O)N3CCc4sccc4C3)C2)c([N+](=O)[O-])c1 741522820 MPMXGABTKNDNTF-QGZVFWFLSA-N 443.525 4.069 5 20 IIBD CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 741919051 JGRGQZDJLYRIQU-UHFFFAOYSA-N 447.875 4.418 5 20 IIBD O=C(c1ccc(Cl)cc1NCc1cc(F)ccc1[N+](=O)[O-])N1CCCC[C@H]1CCO 742258366 ATQFSLKCIQOEOG-KRWDZBQOSA-N 435.883 4.377 5 20 IIBD O=C(COC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(-c2ccccc2)cc1 743126764 FTIMVZZJLARTBT-UHFFFAOYSA-N 427.416 4.487 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)[C@H]1C[C@@]12CCc1ccccc12)c1cccc([N+](=O)[O-])c1 743315325 ZKJVBYQKVVSCGB-VAPDBKPJSA-N 448.519 4.427 5 20 IIBD CC(C)=CC(=O)NCc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2Br)cc1 744174997 QGJQQGYVCOVINK-UHFFFAOYSA-N 447.285 4.297 5 20 IIBD CCCc1ncc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)s1 745264163 DMYDQBNZSXFVNC-NSHDSACASA-N 446.510 4.311 5 20 IIBD C[C@@H](OC(=O)c1csc(C2CC2)n1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 747506869 LBFLKBHKPNEXKM-SNVBAGLBSA-N 444.494 4.236 5 20 IIBD CC(C)[C@@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)N1CCCC[C@@H]1C 747957776 UGPHPCOWUPHBOY-KBXCAEBGSA-N 431.514 4.301 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1/C=C1\N=C(c2ccc(OCC)c(OCC)c2)OC1=O 748597753 MMMUERJEXFSENH-ATVHPVEESA-N 426.425 4.135 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCC(OC[C@H]2CCCCO2)CC1 750033064 MDMMEKABPUYLFZ-CQSZACIVSA-N 433.383 4.076 5 20 IIBD CO[C@@H](C)c1nc(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cs1 750893125 MHIZRORHYYNZSJ-ZETCQYMHSA-N 434.699 4.105 5 20 IIBD COc1ccc(C(=O)CCC(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1F 751844429 PREWNDXBMDHBGN-UHFFFAOYSA-N 428.372 4.104 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc(C3SCCS3)c2)cc1[N+](=O)[O-] 752133871 FFICDGZUBLCUNB-CYBMUJFWSA-N 431.539 4.198 5 20 IIBD C[C@@H](C[C@@H](O)c1cccs1)NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 752281541 OKQBJFQOLBFVPS-XHDPSFHLSA-N 431.436 4.106 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@@H]1CCOc2c1ccc(Cl)c2Cl 754485277 DZHZUUYBPKYHQH-CQSZACIVSA-N 448.262 4.469 5 20 IIBD Cc1nc(COC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)oc1-c1ccc(Cl)cc1 757031094 DZLOLZOCXMWRSD-UHFFFAOYSA-N 430.800 4.340 5 20 IIBD Cn1ccnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccc(Cl)cc1 757885085 HOIKMWVYKRJGIA-MRXNPFEDSA-N 449.692 4.264 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] 758835065 UGDTTXCDGBTOGY-BQFCYCMXSA-N 434.537 4.299 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(N2CCSCC2)c(Cl)c1 758931807 UVROJTCCYCFPJV-UHFFFAOYSA-N 430.917 4.464 5 20 IIBD Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)o2)cc1C 758933582 RWYJFGGAGLQQOK-OAHLLOKOSA-N 433.424 4.365 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2F)ccc1Br 760363981 VHJNNGSDZSTWHA-UHFFFAOYSA-N 443.172 4.316 5 20 IIBD Cc1nn(CN2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c2cc([N+](=O)[O-])ccc12 761289954 IQAGNRWAAKASSJ-MRXNPFEDSA-N 436.447 4.279 5 20 IIBD Cc1ccc(-c2noc(CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)c(Br)c1 762066188 RDXMBGKCKVNZNM-UHFFFAOYSA-N 433.218 4.409 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)Nc1ncc(C(F)(F)F)cc1Cl 763714675 AAEXQQNNABCVBN-UHFFFAOYSA-N 438.145 4.111 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1ccc(NC(=O)C(C)C)cc1 763809551 CREFDEUUNNRXNL-UHFFFAOYSA-N 430.482 4.341 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCc2csc(-c3ccco3)n2)CC1 763993838 WIQRFFFHANZDSR-UHFFFAOYSA-N 426.498 4.478 5 20 IIBD O=C(CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)NCCn1cc([N+](=O)[O-])cn1 769599215 IBESBPCZHAQLID-UHFFFAOYSA-N 440.459 4.468 5 20 IIBD Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC(OCCCNC(=O)OC(C)(C)C)CC1 770103936 HITJCTOYHDHIAG-UHFFFAOYSA-N 427.929 4.457 5 20 IIBD COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2C(C)C)ccc1[N+](=O)[O-] 770627324 KKTOHBHPHIMRJY-HXUWFJFHSA-N 440.525 4.158 5 20 IIBD Cc1nc(Br)ccc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 773245510 ZRUKJGJQLNFNGR-UHFFFAOYSA-N 441.090 4.168 5 20 IIBD C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCN1C(=O)OC(C)(C)C 773799438 SKBVEYUUFJGXLL-FZMZJTMJSA-N 431.411 4.131 5 20 IIBD COc1ccc2nc(Cl)c(C(=O)O[C@@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cc2c1 775016368 XYKUBRZSFAAHNI-JTQLQIEISA-N 447.806 4.128 5 20 IIBD CN(C(=O)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)cc1)c1ccccc1 778248104 QWIXNDKOAJJVMO-UHFFFAOYSA-N 447.476 4.057 5 20 IIBD COc1cc([C@@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C(F)(F)F)cc(OC)c1OC 779067578 YHCOWNDXKFGAAE-WMHRWZGDSA-N 440.374 4.054 5 20 IIBD O=C(Nc1ccccc1)c1ccc(OC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1 779323373 LZWKTFASQFKBCK-UHFFFAOYSA-N 428.404 4.252 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Oc1ccc(NC(=O)c2cnn(C)c2)cc1 779925123 CGAZWNYZAOPBMT-UHFFFAOYSA-N 440.481 4.302 5 20 IIBD Cc1cc(NC(=O)N2CCC(CNC(=O)OCc3ccccc3)CC2)ccc1[N+](=O)[O-] 785915755 RTEDWSHNTOAOML-UHFFFAOYSA-N 426.473 4.074 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](OC(=O)[C@@H]1CC12CCOCC2)c1ccccc1 786451110 ANSRPZAUPKRAMY-QFBILLFUSA-N 444.871 4.288 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)c2ccccc2C(F)(F)F)c([N+](=O)[O-])cc1OC 788994054 RLLRXMNEKCJZNR-JTQLQIEISA-N 427.331 4.059 5 20 IIBD CC(C)([C@@H](OC(=O)[C@H]1CC(=O)c2ccccc21)c1ccc(Br)cc1)[N+](=O)[O-] 789420724 UNHNWIILAOAXCP-WMZOPIPTSA-N 432.270 4.459 5 20 IIBD Cc1ccc(OCc2nc(CC(=O)OCc3ncc(C)c([N+](=O)[O-])c3C)cs2)cc1 789441042 BACIXOUNXHQZPG-UHFFFAOYSA-N 427.482 4.236 5 20 IIBD C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1Br 790199694 CAPMDOWSZOHHSB-LBPRGKRZSA-N 448.273 4.147 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)c2cc3c(cc2Br)OCCO3)c1F 790290025 KHNSEHLXXBIPAI-SNVBAGLBSA-N 439.237 4.067 5 20 IIBD C[C@@]12CCN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C[C@H]1C2(Cl)Cl 790379083 KRAPFHFFCQYSEU-ZYHUDNBSSA-N 434.128 4.106 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccnc(OCC(F)(F)C(F)F)c1 790968817 PSBKYLYUPAULJC-UHFFFAOYSA-N 439.724 4.243 5 20 IIBD COc1c(C(=O)N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)cccc1[N+](=O)[O-] 793976052 CNHIJPLQGJNYKM-UHFFFAOYSA-N 432.476 4.394 5 20 IIBD O=C(COC(=O)c1cc(C2CC2)cnc1Cl)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 796176287 ZYXJUTFAIBLVJA-UHFFFAOYSA-N 443.765 4.335 5 20 IIBD COc1c(C(=O)OCc2csc(N(C(C)=O)c3ccccc3)n2)cccc1[N+](=O)[O-] 796310620 DORKOWFDATUERR-UHFFFAOYSA-N 427.438 4.102 5 20 IIBD C[C@@H](OC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)c1ncccc1F 796984819 KJRHYEUSDFDLSH-CQSZACIVSA-N 437.427 4.344 5 20 IIBD O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1cc(S(=O)(=O)C2CCCC2)ccc1F 797505834 STKGILKCQCLVRA-UHFFFAOYSA-N 441.864 4.461 5 20 IIBD O=C(COCc1cccnc1)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 805855564 NESVVDXMYDZKTQ-UHFFFAOYSA-N 441.827 4.018 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F 807950775 WREUQEQPDVMXEJ-AWEZNQCLSA-N 426.317 4.000 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(N(C)C(=O)c2ccncc2)cc1 810319407 ZUARTJFFXPCEOL-UHFFFAOYSA-N 433.468 4.151 5 20 IIBD C[C@H](OC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(=O)NC[C@H](C)c1ccccc1 811375376 YFJOTTFYBRKLTQ-RYUDHWBXSA-N 425.268 4.367 5 20 IIBD O=C(NCCc1c[nH]c2cccc(Br)c12)C(F)(F)c1ccc([N+](=O)[O-])cc1 811603000 QLQQIXJOMUHLSW-UHFFFAOYSA-N 438.228 4.289 5 20 IIBD CN1CCC(N(C[C@@H]2C[C@H]3C=C[C@H]2C3)C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 811928321 GDZKMSRGVITSGI-ZOBUZTSGSA-N 435.927 4.065 5 20 IIBD O=C(Nc1ccccc1C(=O)NC/C=C/c1cccnc1)c1ccc([N+](=O)[O-])cc1Cl 820395220 ABEHVVCIOJWAPG-GQCTYLIASA-N 436.855 4.339 5 20 IIBD Cc1cccc(C(=O)NC[C@@H](Cc2ccccc2)N(C)C(=O)OC(C)(C)C)c1[N+](=O)[O-] 820515384 KDGSJISKXSDZDO-GOSISDBHSA-N 427.501 4.111 5 20 IIBD CCOc1ccc(NCc2ccc(Cl)cc2[N+](=O)[O-])cc1S(=O)(=O)N(CC)CC 863998788 BWRBZOCCDWHBCG-UHFFFAOYSA-N 441.937 4.290 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1[C@@H]1Nc2ccccc2C(=O)N1CCNC(=O)OC(C)(C)C 877855097 GHSYQLBEGSUYRE-HXUWFJFHSA-N 440.500 4.303 5 20 IIBD Cc1cc([C@@H]2CCCN2c2ccc(S(=O)(=O)NC3CCC(C)CC3)cc2[N+](=O)[O-])no1 913047308 SSYMBBQBBSXBKH-KJXMEXGPSA-N 448.545 4.090 5 20 IIBD O=[N+]([O-])c1ccc(-c2ncn(CN3CCC[C@@H]3c3cccc(Br)c3)n2)cc1 917481841 BTFQUMPPBSQWDS-GOSISDBHSA-N 428.290 4.410 5 20 IIBD CC(C)Oc1ccccc1[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 917902489 AEKHTLBZCOOIAT-LBPRGKRZSA-N 443.319 4.184 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)ccc1F 918235678 SNEGOGJMXRJADR-KBPBESRZSA-N 429.448 4.255 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O 918535245 ZMGWCAVBGZECAW-QGZVFWFLSA-N 436.873 4.193 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)c1ccc(-c2cnco2)cc1)c1cccc([N+](=O)[O-])c1 918632554 IXOZHXMXPVUPAU-HXUWFJFHSA-N 449.463 4.492 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)[C@@H]1Cc2ccccc2S1)c1cccc([N+](=O)[O-])c1 918632584 JJURNMSUOMYZSJ-NQIIRXRSSA-N 440.521 4.240 5 20 IIBD O=C(OCC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])s1 918826094 LJUXIBPCLLEILN-CYBMUJFWSA-N 429.281 4.484 5 20 IIBD CC(C)N(C)C(=O)C1CCN(C(=O)COC(=O)c2c3ccccc3cc3ccccc23)CC1 918868277 VNUQRMGHAOZSHT-UHFFFAOYSA-N 446.547 4.255 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1ccc(OCC2CC2)cc1 919981955 FRAYVBXMDGENFX-UHFFFAOYSA-N 436.468 4.484 5 20 IIBD COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1 920818724 LSSQBDDQINHMMZ-QGZVFWFLSA-N 449.301 4.187 5 20 IIBD O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)Oc1cc(Cl)ccc1[N+](=O)[O-] 921139994 MBOZQTWABYKCRV-UHFFFAOYSA-N 438.823 4.383 5 20 IIBD CCOC(=O)c1ccn(-c2cccc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)c2)n1 1116592992 RXOGLLDWEVNABY-UHFFFAOYSA-N 440.431 4.013 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cn2)cc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 1339283301 KCBXOYDBNQXENV-MRXNPFEDSA-N 439.859 4.157 5 20 IIBD O=C(NCCc1ccc(C(F)(F)F)cn1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 1349278937 VJHFHTXVXUBGGP-UHFFFAOYSA-N 447.363 4.346 5 20 IIBD CCCNC(=O)[C@@H](C)NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 1353924402 HWUXQKRDPVUHKB-GFCCVEGCSA-N 444.538 4.000 5 20 IIBD Cc1c(Br)cc(C(=O)NCCc2ccc(C(F)(F)F)cn2)cc1[N+](=O)[O-] 1520620767 UYMVBSHWZYUFCQ-UHFFFAOYSA-N 432.196 4.052 5 20 IIBD Cc1ccc(C(=O)N2CCC3(CCCN(C(=O)Cc4cccc([N+](=O)[O-])c4)C3)CC2)c(C)c1 1804753721 ATSXCMPSCZXXGF-UHFFFAOYSA-N 449.551 4.299 5 20 IIBD CC1(C(=O)N2CCCC3(CCN(C(=O)CSc4ccccc4[N+](=O)[O-])CC3)C2)CCC1 1804798200 AUPPVXNGSULFKH-UHFFFAOYSA-N 445.585 4.108 5 20 IIBD CC(C)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)n[nH]1 1821168022 GRCWPJVOZDJIBJ-GOSISDBHSA-N 431.468 4.199 5 20 IIBD CC(C)(C)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(F)c2[N+](=O)[O-])n[nH]1 1821170727 XEKOJTSWEFQEGP-MRXNPFEDSA-N 431.468 4.199 5 20 IIBD CC(C)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(F)c2[N+](=O)[O-])n[nH]1 1821173953 AQLTUXDQSRHQMO-QGZVFWFLSA-N 431.468 4.199 5 20 IIBD C[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1)c1cccs1 1822702193 HTFUWEIHYBEDMI-TZMCWYRMSA-N 443.485 4.082 5 20 IIBD CC(C)=CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 1830707760 VLSDXFRLXODSKN-QFIPXVFZSA-N 443.544 4.280 5 20 IIBD C/C=C(\C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(C)c([N+](=O)[O-])c2)CC1 1831342147 JLVQJFWKQDELKF-VREQBZOKSA-N 427.545 4.032 5 20 IIBD CC(C)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cc([N+](=O)[O-])ccc2F)CC1 1831377738 FYBMTBMIVSAUBT-JOCHJYFZSA-N 447.551 4.332 5 20 IIBD C/C=C(\C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CSc2ccccc2[N+](=O)[O-])CC1 1831777078 BTAWPCNZQWQHHK-XOMRCUKUSA-N 445.585 4.273 5 20 IIBD CC(C)/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1832904791 WVWYISTVBHJEAH-WJQKJCNPSA-N 439.556 4.440 5 20 IIBD COCCN(C(=O)COc1ccc(Cl)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 14790566 NRIVFRUQLZFBAW-UHFFFAOYSA-N 447.900 4.430 5 20 IIBD C[C@@H](OC(=O)CSc1ccc(F)c(F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 17834754 DTUOEANHCMUOKG-SECBINFHSA-N 430.816 4.189 5 20 IIBD COC(=O)c1ccc(OCC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)c([N+](=O)[O-])c1 19353226 BYKUCZPDZIYPIX-UHFFFAOYSA-N 444.459 4.261 5 20 IIBD COc1ccccc1Nc1nnc(S[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])s1 21738269 IDRWNDMEEOBECA-NSHDSACASA-N 431.499 4.318 5 20 IIBD Cc1cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c2ccccc2n1 22885314 BHINKNZCXBFGRL-UHFFFAOYSA-N 444.413 4.433 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c(OC)c1 26342579 RRFIEXOVCASTPZ-CYBMUJFWSA-N 430.457 4.094 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nnc(-c2ccc(Cl)cc2)o1 26368412 XCNCVLGIWSWDNX-UHFFFAOYSA-N 434.861 4.428 5 20 IIBD COc1ccc(NC(=O)CCSc2nnc(-c3cc(C)cc(C)c3)o2)c([N+](=O)[O-])c1 26409115 QGRAVTSKRLXHIX-UHFFFAOYSA-N 428.470 4.391 5 20 IIBD CCCCN1C(=O)CC[C@H](C(=O)OCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1OC 28237492 JSWIRCUCAAPVDJ-REWPJTCUSA-N 440.496 4.427 5 20 IIBD Cc1c(C(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)nnn1-c1cccc([N+](=O)[O-])c1 29839306 OPIBHHOAPABEBH-QHCPKHFHSA-N 439.475 4.272 5 20 IIBD C[C@H]1CN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)C[C@@H](C)O1 32799571 FSJKADARYJFAMG-BIENJYKASA-N 448.317 4.146 5 20 IIBD O=C(c1ccc(OCc2ccccc2)cc1)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 61234722 PMHUTUKPFUVBJU-UHFFFAOYSA-N 431.492 4.132 5 20 IIBD CC(C)c1nc(CN2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)no1 64932068 JQHYVSPMXBMGFD-UHFFFAOYSA-N 427.530 4.148 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])NCc1cccc(NC(=O)C2CCCCC2)c1 66030835 PSGHJXWGSSVDPP-UHFFFAOYSA-N 425.485 4.199 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(OCc2ccc(Br)s2)c([N+](=O)[O-])c1 109266294 OQNZQILXJUSWLT-UHFFFAOYSA-N 449.348 4.028 5 20 IIBD CN(C)C(=O)Sc1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 111000683 BZBRJBAYCCTLIC-UHFFFAOYSA-N 428.514 4.224 5 20 IIBD CC(C)NC1CCN([C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)CC1 111051761 HLYGXIYPHJRAOH-NRFANRHFSA-N 430.936 4.390 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NC3CCN(CC4CC4)CC3)cc2[N+](=O)[O-])n1 195569291 KPYBZVUJXLTOTA-UHFFFAOYSA-N 432.571 4.115 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNCc1ccc(OCc2cn3cccc(C)c3n2)cc1 237203761 UYSJRLPSYAHMBF-UHFFFAOYSA-N 432.480 4.428 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NC[C@H](O)c3ccsc3)c([N+](=O)[O-])c2)c(C)c1 301332565 AVCUFHSWPSYSOZ-FQEVSTJZSA-N 447.538 4.219 5 20 IIBD Cc1nc(Sc2nnc(N3C[C@@H](C)C[C@H](C)C3)n2Cc2ccco2)ccc1[N+](=O)[O-] 301642739 MTHQMEOFDSLMDR-KBPBESRZSA-N 428.518 4.165 5 20 IIBD Cc1csc([C@@H](C)CNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])n1 302115683 CPAYQNXVGQQDCZ-ZDUSSCGKSA-N 432.527 4.376 5 20 IIBD Cc1nc(N2CCC[C@H]2c2nc(-c3ccccc3Br)no2)ccc1[N+](=O)[O-] 302702956 XVJRYDRPDGZIGV-HNNXBMFYSA-N 430.262 4.452 5 20 IIBD O=C(Nc1cccc(-c2ccc3c(c2)CCO3)n1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 303352738 FLPGEKOMJYAQCM-UHFFFAOYSA-N 444.491 4.447 5 20 IIBD O=C(N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1ccc(Cl)cc1[N+](=O)[O-] 303515289 PGBBKBDABAADQD-OAHLLOKOSA-N 426.275 4.435 5 20 IIBD O=C(Nc1ccc(Cl)c(N2CCNC2=O)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 410148255 QBPIFRNWZGZTMZ-UHFFFAOYSA-N 428.754 4.049 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 427475465 DVBNPDIDELXJMF-MRXNPFEDSA-N 437.525 4.136 5 20 IIBD CC(C)(NC(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 429175716 VCNRRTFGFWKVQW-OFNKIYASSA-N 429.492 4.042 5 20 IIBD CCCc1c(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cnn1-c1ccccc1C 429275593 CHHIBFUSSFDAIP-UHFFFAOYSA-N 430.468 4.479 5 20 IIBD Cc1noc(C[C@@H](NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c2ccccc2)n1 429522014 OCFDDCZLYMABAP-MRXNPFEDSA-N 445.273 4.071 5 20 IIBD O=C(NCc1ccc(F)c(F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435494515 AXFLIIKMSYTQFJ-UHFFFAOYSA-N 449.460 4.341 5 20 IIBD CCC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 439229687 BFLQZUQWLQOZGI-UHFFFAOYSA-N 439.493 4.339 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 439708983 UOTRUTQCOAWCKZ-FQEVSTJZSA-N 429.448 4.119 5 20 IIBD Cc1ccc(CN(CCn2cc([N+](=O)[O-])ccc2=O)Cc2ccco2)c(Br)c1 441238193 YGFKNYYVSREHHC-UHFFFAOYSA-N 446.301 4.123 5 20 IIBD O=C(CN(Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 441259519 LIIORJUVSGYSEP-UHFFFAOYSA-N 433.390 4.093 5 20 IIBD C[C@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1cccc(-n2ccnc2)c1 444116656 HQTJQQICNWUSAZ-HNNXBMFYSA-N 426.451 4.497 5 20 IIBD O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444295616 YPDUCYHPTCHBPF-UHFFFAOYSA-N 427.775 4.340 5 20 IIBD O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)c1sc(Br)cc1[N+](=O)[O-] 445185598 LFKHGPYJJLOEEK-UHFFFAOYSA-N 445.707 4.265 5 20 IIBD CCCCc1ccc(NC(=O)Cc2noc(-c3ccn(-c4cccc([N+](=O)[O-])c4)n3)n2)cc1 445315066 WRRZTYBGPXPKNR-UHFFFAOYSA-N 446.467 4.354 5 20 IIBD CC(=O)N1CCc2cc(C(=O)Nc3ccc(OCc4ccccc4)cc3[N+](=O)[O-])ccc21 446435289 WTNVYOXEGLZSSB-UHFFFAOYSA-N 431.448 4.335 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)c1 446617428 MABOSUNLNXXOLH-HNNXBMFYSA-N 439.493 4.098 5 20 IIBD O=C(NCCC(=O)N1CCC(Sc2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])cc1 448172938 GRTOJZVAWMFFNL-UHFFFAOYSA-N 447.944 4.151 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ccc(-c2ccc(Cl)s2)cn1 448511611 HTTIIVNUZRKTNA-UHFFFAOYSA-N 431.857 4.324 5 20 IIBD O=C(Nc1cccc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)c1)c1cccnc1 460360757 SEEDFNLTRYRLFF-QFIPXVFZSA-N 434.477 4.130 5 20 IIBD C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 462608336 VXJFNGCAZZOSEL-SFHVURJKSA-N 445.475 4.110 5 20 IIBD CCc1cc(=NC(=O)CCCc2nnc(-c3ccccc3)o2)c2cc([N+](=O)[O-])ccc2[nH]1 462608494 XTDJOTKBYQIFFW-UHFFFAOYSA-N 431.452 4.139 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCc1cccc(COCc2ccccc2)c1 464007377 QAPDNZGSLXWTCJ-UHFFFAOYSA-N 447.491 4.183 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465639156 VIJPEDOXNAVSIU-UHFFFAOYSA-N 449.511 4.150 5 20 IIBD CCOc1c(Br)cc(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1OC 466274122 PLDIIPJQUSOEHR-UHFFFAOYSA-N 443.681 4.348 5 20 IIBD CCOc1cc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)ccc1OC(F)F 466554939 XDQCBSRPYBGLQV-UHFFFAOYSA-N 429.807 4.248 5 20 IIBD CCc1ccc(C(=O)N2CCN(C(=O)c3sc4ccccc4c3C)CC2)cc1[N+](=O)[O-] 471420926 YFBXXKYSHJALKR-UHFFFAOYSA-N 437.521 4.279 5 20 IIBD Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 472827383 RPKFSKGYIHUHFK-MRXNPFEDSA-N 430.468 4.362 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1cc(F)cc(NCC(F)(F)F)c1 473251307 XBDMORCGSNWFHJ-UHFFFAOYSA-N 438.337 4.274 5 20 IIBD COc1cc(Br)c(S(=O)(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cc1Cl 473771177 BJMIQWXVSUYFOZ-UHFFFAOYSA-N 449.710 4.437 5 20 IIBD COC(=O)COc1ccc(CN2CCC[C@@H](COc3ccccc3Cl)C2)cc1[N+](=O)[O-] 475701251 KVGIZGIXPUIJBD-QGZVFWFLSA-N 448.903 4.091 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3cnc(-c4ccsc4)s3)CC2)ccc1[N+](=O)[O-] 477375221 RFLAPWFBXHJZAJ-UHFFFAOYSA-N 444.538 4.141 5 20 IIBD Cc1ccn2cc(CNc3ccc([N+](=O)[O-])c(NCc4cn5ccc(C)cc5n4)n3)nc2c1 477836730 YGKKBTBSRALSIU-UHFFFAOYSA-N 442.483 4.126 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)cc1SC 483042784 QUUQOMJXTBYSBB-UHFFFAOYSA-N 449.916 4.467 5 20 IIBD Cc1ccccc1COc1cccc(NC(=O)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 483471633 FXGJWMFORZHFES-QGZVFWFLSA-N 433.464 4.298 5 20 IIBD O=[N+]([O-])c1cccc(Br)c1OCc1cn2cc(Br)ccc2n1 484657972 TYGCVWFRSCKYGP-UHFFFAOYSA-N 427.052 4.347 5 20 IIBD CC(C)(C)Oc1cc(NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)ccc1[N+](=O)[O-] 484959690 NSVQBKLJUJIRLK-LJQANCHMSA-N 427.501 4.293 5 20 IIBD O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CCS[C@H]2COCC[C@H]21 489021261 VPEWZAAIESEIHC-QUCCMNQESA-N 447.944 4.207 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C 490037796 GKKVSHCEWKESQR-SJKOYZFVSA-N 444.431 4.073 5 20 IIBD CCc1ccc([C@@H](NCc2ccncc2OC[C@@H]2CCOC2)c2ccc([N+](=O)[O-])cc2)o1 490431722 KMLRNUWHTGFJJD-OSPHWJPCSA-N 437.496 4.440 5 20 IIBD Cc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)c([N+](=O)[O-])c1 490444037 KXXXGNAYKZOHKS-GUYCJALGSA-N 444.431 4.073 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC2(CC1)OCCc1ccsc12 492947291 AQLBFHUPNIPOMG-CYBMUJFWSA-N 435.933 4.201 5 20 IIBD CCC(CC)N(CC)C(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 494843113 XPOYDLYPSMJYHS-UHFFFAOYSA-N 449.529 4.055 5 20 IIBD COc1ccc(N(C)C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(OC)c1 505157365 VKBWARQXQFINRM-UHFFFAOYSA-N 430.404 4.386 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1noc(-c2cccc(F)c2)n1 505874998 QPRDRVMZCSHDTB-UHFFFAOYSA-N 430.461 4.462 5 20 IIBD Cc1cc(OCC(=O)Nc2ccccc2I)c(Cl)cc1[N+](=O)[O-] 506418784 ZRUJITJFCXSLPZ-UHFFFAOYSA-N 446.628 4.179 5 20 IIBD COC(=O)c1cc(C(=O)N[C@H](C)c2sc(-c3ccccc3)nc2C)cc([N+](=O)[O-])c1 507543185 ALKQNDXTUDWSMU-GFCCVEGCSA-N 425.466 4.304 5 20 IIBD COCC[C@@H](C)N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 507842413 BDRYBZAKCDSYHR-FZKQIMNGSA-N 436.306 4.052 5 20 IIBD CCOc1cc(NC(=O)c2nn(-c3ccc(F)cc3)cc2C)c([N+](=O)[O-])cc1OCC 509122755 KVBQIIAOCAHSIG-UHFFFAOYSA-N 428.420 4.278 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC1(c2ccccc2Br)CC1 511441263 UNHMBTSOOYKCSJ-UHFFFAOYSA-N 432.318 4.273 5 20 IIBD Cc1cccc([C@H](NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C(F)(F)F)c1 511833475 UXKBRCCFRSNMFB-SFHVURJKSA-N 437.374 4.011 5 20 IIBD COC(=O)c1ccccc1N(C)C(=O)COc1ccc([N+](=O)[O-])cc1Cc1ccccc1 514737012 MBJINVKUSPHHII-UHFFFAOYSA-N 434.448 4.014 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(Oc3ccccc3)nc2)cc1[N+](=O)[O-] 520320409 KUPBYTPPVVKZJF-UHFFFAOYSA-N 448.464 4.314 5 20 IIBD Cc1ccccc1C1(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 520410008 KCQZFPOASWARSE-INIZCTEOSA-N 432.904 4.189 5 20 IIBD O=C(c1cc2ccccc2c2cccnc12)N1CCN(CCCOCC(F)(F)F)CC1 521002782 MLZIKBSOLNAOFO-UHFFFAOYSA-N 431.458 4.115 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1c2c(nn1-c1ccccc1)CCC2 521276929 RQCUJQZOYOFYQZ-CYBMUJFWSA-N 426.860 4.329 5 20 IIBD Cn1c([C@H]2CCCCN2C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)nc2ccccc21 521495643 SQGFVUBUKUQNNH-OAQYLSRUSA-N 430.468 4.035 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3cccc(-n4ccnc4)c3)cc2[N+](=O)[O-])C1 522357132 WJIAZOJPVHSJHE-HDICACEKSA-N 433.512 4.193 5 20 IIBD COc1ccc(I)c(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1 522884940 BJVOHFUYOUFBTK-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD Cc1ccc(-c2csc(NC(=O)[C@H]3CCCN(C(=O)NCC(C)C)C3)n2)cc1[N+](=O)[O-] 525430763 YGDHULARCOQVEP-INIZCTEOSA-N 445.545 4.043 5 20 IIBD CC(C)[C@H](NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C(=O)N1CCOCC1 530735891 UYRZORCRSODCCD-NRFANRHFSA-N 447.919 4.014 5 20 IIBD O=C(C[C@@H]1CCCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(F)cc1 532991267 TWVQYIYVYIXWQG-FQEVSTJZSA-N 439.487 4.214 5 20 IIBD COCCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H](C)c1cccc(C(F)(F)F)c1 533254899 RFVDVYSLOGXTHL-OAHLLOKOSA-N 439.434 4.286 5 20 IIBD CN1CC[C@@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 534265271 RPVJNJSUNGSPEK-XOBRGWDASA-N 430.867 4.291 5 20 IIBD COC(=O)c1cc(NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)cc([N+](=O)[O-])c1 536395626 TXTKIEJEWCKLQY-OAHLLOKOSA-N 432.432 4.355 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2ccc(C)nc12 536468887 UMTYZLAUFBUISC-UHFFFAOYSA-N 425.466 4.359 5 20 IIBD COc1ccc(CN(C(=O)CCn2cc([N+](=O)[O-])nc2C)[C@@H]2CCCC[C@@H]2C)cc1OC 539004269 KXLRBBAHZSHZAF-QFBILLFUSA-N 444.532 4.115 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN(C(=O)c2cc4c(cc2[N+](=O)[O-])OCO4)C3)cs1 539036232 XVPYLWWLRKQUCP-UHFFFAOYSA-N 429.479 4.015 5 20 IIBD COc1cc(C(=O)Nc2nc3ccccn3n2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 539519095 SDZSXEXKNFBLSW-UHFFFAOYSA-N 439.815 4.344 5 20 IIBD CCCc1c(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cnn1-c1cc(F)c(OC)cc1F 541292783 OXROJBZRCWTZIB-UHFFFAOYSA-N 444.438 4.292 5 20 IIBD COC(=O)C[C@@H](NC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 542031942 JMUIOASDTNWGHJ-CQSZACIVSA-N 441.362 4.048 5 20 IIBD COc1cccc(Oc2ncccc2CNC(=O)CSc2ccccc2[N+](=O)[O-])c1 542193356 BAHHWALWUKFKTF-UHFFFAOYSA-N 425.466 4.199 5 20 IIBD C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1OCc1ccccc1 544120949 ZQDVGFHNXZMBNM-GOSISDBHSA-N 440.521 4.298 5 20 IIBD COCCOc1ccc(Cl)cc1-c1noc(-c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)n1 545041756 BWQZGADHYSEKPR-UHFFFAOYSA-N 441.831 4.176 5 20 IIBD COc1cc(OCC(=O)Nc2cccc(COc3ccc(F)cc3)c2)ccc1[N+](=O)[O-] 552604875 AZZFUWPFQKKKNJ-UHFFFAOYSA-N 426.400 4.339 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1 552762254 XYWHVPBRXBKJNJ-PXNSSMCTSA-N 442.516 4.194 5 20 IIBD NS(=O)(=O)c1cccc(N[C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] 553262281 OUSJPIJAGKRBKW-KGLIPLIRSA-N 429.420 4.009 5 20 IIBD CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)C)C1 555375001 FIQWFIJNJSSSKV-IEBWSBKVSA-N 442.564 4.031 5 20 IIBD COc1ccc(C(=O)Nc2ccc(C(=O)N(C)CCc3ccccc3[N+](=O)[O-])s2)cc1 557362740 PCKHMQJGTQTBLQ-UHFFFAOYSA-N 439.493 4.232 5 20 IIBD Cc1c(NC(=O)CCN2CCc3cc(Br)cc(F)c3C2)cccc1[N+](=O)[O-] 561205815 DIFKDTLXSADJCV-UHFFFAOYSA-N 436.281 4.192 5 20 IIBD CN1CC[C@@H](NCCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]1c1ccc(F)c(F)c1 564613789 AERLSOBJQXJKFP-KNQAVFIVSA-N 428.439 4.106 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2ccc3cnn(C)c3c2)cc1 564646002 BDNIBDKARFSQFB-UHFFFAOYSA-N 432.436 4.212 5 20 IIBD CCc1nc2cc(CN[C@H](c3ccc([N+](=O)[O-])cc3)c3nccn3C)ccc2n1C1CC1 565847781 LJXAUFLSVSASGG-HSZRJFAPSA-N 430.512 4.455 5 20 IIBD CC(C)(NC(=O)c1ccccc1)c1noc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1 569153848 SIHYDHXXNLIMPN-UHFFFAOYSA-N 435.465 4.433 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N1CC[C@@H](Oc2ccc(Cl)cc2)C1 583460159 OOYSSCVWCBYPJF-LLVKDONJSA-N 431.695 4.366 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(CNc2ccc(CC(=O)N3CCc4ccccc43)cc2)c1 589505571 UKXFFJLKVUIAIR-UHFFFAOYSA-N 445.475 4.125 5 20 IIBD C[C@@H]1CN(Cc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)cc2)C[C@@H](C)O1 603638178 GZEKZIJDLFJLGS-ZIAGYGMSSA-N 435.427 4.058 5 20 IIBD CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)c12 603669189 SFSQQOLMDXLKFB-UHFFFAOYSA-N 435.484 4.094 5 20 IIBD Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NC(=O)CCNc1ccccc1[N+](=O)[O-] 603976958 NJLWALYOZXDGCS-CALCHBBNSA-N 438.528 4.462 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCO[C@H](c4cccc(F)c4)C3)cc2[N+](=O)[O-])CC1 608965372 WVZDLCKIDOLROB-QFIPXVFZSA-N 427.476 4.184 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NC[C@H]3CCN(CC(F)(F)F)C3)c([N+](=O)[O-])c2)cc1 608972820 OVIXYIOPJUDZIQ-OAHLLOKOSA-N 436.434 4.452 5 20 IIBD O=C(Cn1cnc2c(oc3ccccc32)c1=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 609482786 CCXQWLOFRYCZSZ-UHFFFAOYSA-N 432.436 4.027 5 20 IIBD CCOc1ccccc1NC(=O)[C@H](C)SCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 609770755 OACMHUDFWBGTNW-AWEZNQCLSA-N 445.497 4.052 5 20 IIBD O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCCN(Cc2ccccc2)c2ccccc21 609978310 QOSHHETYSWAPIV-UHFFFAOYSA-N 431.448 4.381 5 20 IIBD CO[C@@H](CNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)c1ccccc1Cl 610789716 AFPGIPYHNPVFFD-FQEVSTJZSA-N 442.903 4.227 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(Sc2ccc(C(F)(F)F)cn2)c([N+](=O)[O-])c1 619617521 PPWUICXJLLGBJG-UHFFFAOYSA-N 435.449 4.190 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 730230329 HXARRYFYDKUFLN-OAHLLOKOSA-N 427.457 4.126 5 20 IIBD COc1ccc(-c2ccc(C(=O)Nc3n[nH]c(-c4cccc([N+](=O)[O-])c4)n3)c(F)c2)cc1 730284368 JTYGRNILCDSENP-UHFFFAOYSA-N 433.399 4.447 5 20 IIBD O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@H]1COC(=O)C1(c2ccccc2F)CCCC1 730703783 OYEJQEXMBUHFBX-QGZVFWFLSA-N 440.471 4.394 5 20 IIBD Cn1cc(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c(-c2ccccc2Cl)n1 731263791 YHUBBWUNNXNSAN-UHFFFAOYSA-N 449.250 4.098 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2cccc(OC3CCCC3)c2)c([N+](=O)[O-])c1 731264904 UORXLRXGKITNFH-UHFFFAOYSA-N 428.441 4.110 5 20 IIBD O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1COc1ccccc1 731507662 PMLHNLIDBFXDQD-JOCHJYFZSA-N 432.432 4.136 5 20 IIBD O=C(OCc1nc2ccccc2c2ccccc12)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 731526556 QTNFQSFTEDMPPA-UHFFFAOYSA-N 425.404 4.234 5 20 IIBD C[C@H](Nc1ccc(C(=O)O[C@@H]2CCN(c3ccccc3)C2=O)cc1[N+](=O)[O-])c1ccccn1 731717793 YQHKMQLZCSBYOB-KSFYIVLOSA-N 446.463 4.125 5 20 IIBD O=C(COC(=O)c1oc2ccccc2c1CSc1ncccn1)c1cccc([N+](=O)[O-])c1 731718092 PUPCFEGXELDZLC-UHFFFAOYSA-N 449.444 4.463 5 20 IIBD CC(C)COc1ccc(C2(C(=O)OCC(=O)Nc3ccccc3[N+](=O)[O-])CCC2)cc1 731740969 ZJDMDENIFGIGTN-UHFFFAOYSA-N 426.469 4.233 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)[C@H](C)CNC(=O)OC(C)(C)C)cc2[N+](=O)[O-])C1 732010108 OAPYAQHNQCAPFW-BRWVUGGUSA-N 448.564 4.062 5 20 IIBD O=C(Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1)c1ccnc(C2CC2)n1 732629863 XUHDAICLKIGDNS-UHFFFAOYSA-N 438.827 4.387 5 20 IIBD CSc1ccc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)o1 732861501 YDWWJWKILSOGJX-JTQLQIEISA-N 433.467 4.217 5 20 IIBD Cc1ccc(OC(F)F)c([C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 734733060 VLMQWADWPKBNPD-AWEZNQCLSA-N 436.411 4.259 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)ccc1OCCN1CCCC1 736247276 WTNVZHRXPWICTM-UHFFFAOYSA-N 438.528 4.230 5 20 IIBD C[C@@H](OC(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)c1cccc([N+](=O)[O-])c1 741534737 JVBTYBAHNPJVEV-CRAIPNDOSA-N 443.525 4.151 5 20 IIBD CCOc1ccc(C(=O)N2CCC([C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] 742512903 KRYCBTAALXWTET-SFHVURJKSA-N 447.532 4.245 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c(F)c1 744554067 KRELGTFQNNKOER-OAHLLOKOSA-N 429.448 4.217 5 20 IIBD CC(C)n1cc(Br)cc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 745461887 UUPZRHJKJYIJAY-UHFFFAOYSA-N 444.669 4.189 5 20 IIBD O=C(OCc1noc(-c2ccc(F)cc2)n1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 747958342 ZACOWDGCQRQSDQ-UHFFFAOYSA-N 426.385 4.264 5 20 IIBD C[C@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 747962385 OJLDRECUDDWNTH-VWPFQQQWSA-N 431.514 4.205 5 20 IIBD CC[C@@H](C(=O)N1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1)c1ccccc1 749275420 BFHFCJBPZGGJRJ-GOSISDBHSA-N 429.904 4.163 5 20 IIBD Cc1c(C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)cnn1CCC(C)C 749609108 UFCCIODNLSHMTF-UHFFFAOYSA-N 440.504 4.247 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)NCc2ccc(N(C)C(=O)c3ccncc3)cc2)cc1[N+](=O)[O-] 752013191 CRVZKNJKJMWYGN-QGZVFWFLSA-N 447.495 4.135 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cnn(C(C)(C)C)c1-c1ccccc1 753646934 RPHPXABYPUALJA-UHFFFAOYSA-N 436.468 4.317 5 20 IIBD C[C@H](Cc1cccc(Cl)c1)C(=O)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 756525647 AVKUIMWZPHKQOR-GFCCVEGCSA-N 425.268 4.053 5 20 IIBD COc1cc(CNC[C@@](C)(O)c2ccc(F)cc2)c([N+](=O)[O-])cc1OCc1ccccc1 758600408 PGYSWFUJOGXJCG-XMMPIXPASA-N 440.471 4.319 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1nc2ccc(SC(F)F)cc2s1 759477453 PKVBRXCYYHCJKP-UHFFFAOYSA-N 431.467 4.461 5 20 IIBD CCCc1c(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cnn1-c1cc(C)ccn1 760526136 VDQHFYTUPQBBDN-UHFFFAOYSA-N 449.920 4.199 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@H](c2nc(-c3ccc(OCc4ccccc4)nc3)no2)C1 761813833 ROQPEBFULKHSFP-FQEVSTJZSA-N 443.419 4.485 5 20 IIBD CCCc1ccc(N2C[C@@H](c3nc(CCNc4ccccc4[N+](=O)[O-])no3)CC2=O)cc1 761968150 ILOYSGJGWGPWGF-KRWDZBQOSA-N 435.484 4.105 5 20 IIBD O=C(OCc1ncc(-c2ccc(Cl)cc2)o1)c1cc([N+](=O)[O-])ccc1SCCO 763746323 GYLXRHDQQLNLDC-UHFFFAOYSA-N 434.857 4.345 5 20 IIBD Cc1sc2ncn(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)c(=O)c2c1-c1ccccc1 764151049 UQDQTNHVGJPCBU-UHFFFAOYSA-N 440.868 4.379 5 20 IIBD C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@@H](O)c1c(F)cccc1Cl 765181904 AEAMQCMMJLWFFC-KWKYVRJSSA-N 449.635 4.141 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(NCc2ccc(C(=O)N3CCCCC3)cc2)cc1Cl 765455582 DUCSWSRCHWOERX-UHFFFAOYSA-N 431.876 4.273 5 20 IIBD Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)on1 768093037 HMTHTLYQYYZEKS-ZDUSSCGKSA-N 427.438 4.226 5 20 IIBD CCOC(=O)/C=C\c1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 770821443 ZYOLFXKEVYKJPL-YVMONPNESA-N 425.260 4.247 5 20 IIBD O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1Br 775201439 IFSXSKXTTJSCCZ-UHFFFAOYSA-N 426.075 4.465 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]1C 775491876 KPZRMOXOOASKBJ-GJZGRUSLSA-N 437.562 4.471 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)c1 775527260 PPJCHOGSAAWDNZ-OAHLLOKOSA-N 445.722 4.019 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)c1csc(Cc2ccccc2F)n1 778786074 MNXHHKCRJHTLQM-QGZVFWFLSA-N 427.457 4.217 5 20 IIBD COc1ccc(-c2nc(C(=O)O[C@@H]3CCN(c4ccc([N+](=O)[O-])cc4F)C3)cs2)cc1 778800396 XRDGFVSDJLBXLH-MRXNPFEDSA-N 443.456 4.302 5 20 IIBD O=C(NCCSCc1ccnc(Cl)c1)Nc1ccc(Br)c([N+](=O)[O-])c1 779618191 TVKGIFDTHXLOKQ-UHFFFAOYSA-N 445.726 4.461 5 20 IIBD COc1ccc(C(=O)CC(C)(C)C(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 780235364 JMBPGAIZCCXSCD-UHFFFAOYSA-N 448.859 4.038 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)OCCC1OCCO1 781152579 MOCDJODHINCKLD-DTQAZKPQSA-N 440.477 4.441 5 20 IIBD CC[C@H](OC(=O)c1cccc([N+](=O)[O-])c1Br)C(=O)c1ccc(NC(C)=O)cc1 781676914 ZUKCQISNFZGYLL-INIZCTEOSA-N 449.257 4.134 5 20 IIBD Cn1nc(C(F)(F)F)c(COC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c1Cl 782335594 CHCQAMBQUQQQEV-UHFFFAOYSA-N 442.177 4.166 5 20 IIBD O=C(O[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1)c1cnc(-c2cccnc2)s1 787034282 VOPBBPPELIRFMZ-OAHLLOKOSA-N 428.445 4.078 5 20 IIBD O=C(NC[C@H](O)c1cc(F)cc(Cl)c1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 787815410 BCAJZYRLKQSWHC-NRFANRHFSA-N 444.846 4.430 5 20 IIBD CCNC(=O)Nc1cccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c1C 790130818 XMZLITJGEOEYFW-UHFFFAOYSA-N 439.241 4.199 5 20 IIBD CCOC(=O)/C(=C\c1cccc(NC(=O)c2ccc(OC)cc2)c1)c1ccc([N+](=O)[O-])cn1 791428794 UOONCWTXEFLQBS-STZFKDTASA-N 447.447 4.354 5 20 IIBD COc1ccc(CCC(C)=O)cc1OC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 793281270 LIJSKVZIHIWLNQ-UHFFFAOYSA-N 436.258 4.415 5 20 IIBD O=C(OCCc1nccs1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 796941220 ZIXSTRLFZXHLKN-UHFFFAOYSA-N 429.420 4.072 5 20 IIBD CN(Cc1cc2ccccc2o1)C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O 798296903 JKYQVFNROZNRPV-UHFFFAOYSA-N 426.816 4.158 5 20 IIBD O=[N+]([O-])c1ccc(F)c(NS(=O)(=O)c2ccc(OCC(F)F)c3ccccc23)c1 800928838 UNSVUXRHDXRBGO-UHFFFAOYSA-N 426.372 4.332 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(Cc2cccc(F)c2)CC1 802348670 HVWFRJFDPNNOES-UHFFFAOYSA-N 439.491 4.098 5 20 IIBD CC(=O)c1oc2cc(C)ccc2c1CC(=O)O[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 805664473 JTJAGACPKIVHPP-CYBMUJFWSA-N 442.399 4.104 5 20 IIBD CC1(C)CN(CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)[C@@H]1c1cccs1 808222758 HVYVBUKYGJVGMV-MRXNPFEDSA-N 436.331 4.415 5 20 IIBD COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Oc1ccc(Cl)c([N+](=O)[O-])c1 808349616 BNBRNHJQNRYSAO-JTQLQIEISA-N 436.269 4.083 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cc1Cl 809811270 HOZIETUNRVJKPD-UHFFFAOYSA-N 427.605 4.231 5 20 IIBD CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)Nc1cccc([N+](=O)[O-])c1Cl 809913911 WGGMDVFRXYECAR-UHFFFAOYSA-N 429.763 4.242 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 813245222 MDTPPDDRGKFUEY-UHFFFAOYSA-N 435.823 4.297 5 20 IIBD CC(C)(C)OC(=O)N1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c2ccccc21 813280060 VYCYVWJANCJFSI-UHFFFAOYSA-N 449.467 4.182 5 20 IIBD O=C(CCc1ccc2ccccc2n1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 813577707 ASVYERMFXQBNAE-UHFFFAOYSA-N 440.297 4.423 5 20 IIBD C[C@@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F 814981366 DVUNBNDYRVNBOC-MRVPVSSYSA-N 448.810 4.172 5 20 IIBD C[C@H](c1ccc(F)cc1)N1CC[C@@H](OC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1=O 815236180 RJOQMWUPJKFJKE-IQMFZBJNSA-N 444.462 4.339 5 20 IIBD O=C(Cc1c[nH]c2cccc(Cl)c12)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 815942374 HIMGLOFWLAUORD-OAHLLOKOSA-N 441.871 4.120 5 20 IIBD C[C@H](NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)c1ccc(C(F)(F)F)nc1Cl 817875101 LLNUQBKGCDMZSB-XPTSAGLGSA-N 442.781 4.032 5 20 IIBD Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 819910742 VLAFBAPRESOUIF-UHFFFAOYSA-N 434.283 4.468 5 20 IIBD C[C@@H](OC(=O)/C=C\c1nc2ccccc2s1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 849190265 ACFVHSIRKUMNEE-TYBABMIJSA-N 431.857 4.442 5 20 IIBD Cc1cccc(C(C)C)c1NC(=O)[C@H](C)OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 849194303 IVRROYHCTORSJK-INIZCTEOSA-N 436.468 4.396 5 20 IIBD COc1cc(COC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cc(Cl)c1OC(F)F 892128488 KRAPWGUEANOWQV-UHFFFAOYSA-N 430.791 4.281 5 20 IIBD Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 904579958 SYTWKBQEKZWBBY-SFHVURJKSA-N 430.486 4.019 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1cccc(C(=O)N2CCCCC2)c1 917962272 SCJXPBJVPUPVNJ-MRXNPFEDSA-N 428.510 4.445 5 20 IIBD CCOc1ccc([C@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C(C)C)cc1OCC 918194593 ULHLBSSJMDWAEQ-LJQANCHMSA-N 440.493 4.207 5 20 IIBD Cc1oc(-c2ccccc2)nc1CC(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 918941001 INQUFFOATUUNRH-CYBMUJFWSA-N 443.843 4.325 5 20 IIBD C[C@H]1CCc2c(sc3nc(CCC(=O)OCc4cc(F)ccc4[N+](=O)[O-])nc(O)c23)C1 918993395 AVTDHWUEVVEQAB-NSHDSACASA-N 445.472 4.245 5 20 IIBD O=C(c1cccc2ccccc12)N1CCC[C@H](C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 1116156861 JWHXQKLGLJLVPJ-IBGZPJMESA-N 429.476 4.143 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Br)C1 1116651695 RFTMHWZSTMJSGU-CHWSQXEVSA-N 428.327 4.092 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCCc2c1cccc2S(C)(=O)=O 1320619454 SZMMMQFTHFBLGY-UHFFFAOYSA-N 434.539 4.092 5 20 IIBD C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1N)c1ccccc1OC(F)F 1321439605 NMPQXPIJMJRZOB-QMMMGPOBSA-N 430.205 4.032 5 20 IIBD O=[N+]([O-])c1ccc(I)c(-c2nnc(-c3ccc4ccccc4n3)o2)c1 1328291324 CLMUQUJEGJDOHD-UHFFFAOYSA-N 444.188 4.465 5 20 IIBD C[C@@H](C(=O)N1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccc([N+](=O)[O-])cc1F 1338554101 AEYSLWNZHZGJMS-MRXNPFEDSA-N 449.523 4.477 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)NC1(c2ccc(NC(=O)C(C)(F)F)cc2)CCC1 1787933851 GWAZAYNSGOUBIM-UHFFFAOYSA-N 435.402 4.445 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)NC1(c2ccc(NC(=O)C(C)(C)F)cc2)CCC1 1787941094 SXKQVTPLELKDJC-UHFFFAOYSA-N 429.448 4.105 5 20 IIBD CC1=C(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4F)cc3)CCC2)CCO1 1790623957 RXRDLABWNGNFTD-UHFFFAOYSA-N 439.443 4.176 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C2CC2)cc1 1800730537 NMWYEEVPYHLQJW-ACDBMABISA-N 449.507 4.052 5 20 IIBD COc1cc(C(=O)N2CCC3(CCCN(C(=O)CC4CCCC4)C3)CC2)ccc1[N+](=O)[O-] 1808945142 BKGMGCOKJRAIBA-UHFFFAOYSA-N 443.544 4.029 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2C2CC2)CC1 1824073532 YECKFMJTAMELLO-VWPQPMDRSA-N 443.519 4.013 5 20 IIBD CC[C@H](C)CC(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cc([N+](=O)[O-])ccc2F)CC1 1824948551 OBABQTQKTKKIKC-HTAPYJJXSA-N 447.551 4.332 5 20 IIBD Cc1ccoc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1827742876 YRQGYCQIUFTNPZ-HXUWFJFHSA-N 443.475 4.182 5 20 IIBD CCNc1ccc(C(=O)OCC(=O)N2CC[C@H](C)Sc3ccccc32)cc1[N+](=O)[O-] 10530806 WGRSHNGBGZBOFA-AWEZNQCLSA-N 429.498 4.101 5 20 IIBD Cc1nn(Cc2ccc(C(=O)OCc3csc(-c4ccccn4)n3)cc2)c(C)c1[N+](=O)[O-] 10717482 CKSJKDKFUZWSJQ-UHFFFAOYSA-N 449.492 4.332 5 20 IIBD C[C@@H](OC(=O)c1cc2c(OC(F)F)cccc2[nH]1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 25657897 IIXYGJZJRVLGFB-SECBINFHSA-N 437.330 4.001 5 20 IIBD Cc1ccccc1-c1noc(COC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)n1 26161581 JGJBYKDZBUVJBA-UHFFFAOYSA-N 447.451 4.172 5 20 IIBD Cc1c(C(=O)OCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)oc2c1ccc1ccccc12 26464682 QBLLIPSJXKDGHV-UHFFFAOYSA-N 448.387 4.327 5 20 IIBD CC[C@@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccccc1OC(F)F 27354468 SEDGKCJKNDCGIB-OAHLLOKOSA-N 449.410 4.152 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1ccccc1[N+](=O)[O-])n2CC 28065989 ZIRSFFGIRZTSEG-UHFFFAOYSA-N 448.570 4.287 5 20 IIBD CNC(=O)c1cccc(N[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)c1 57555361 CPKUTVTXXAOXRF-HXUWFJFHSA-N 438.871 4.400 5 20 IIBD COc1ccc(CSCC(=O)N2CCC(Cc3cccc(F)c3)CC2)cc1[N+](=O)[O-] 58456311 DTPQHDBHLMPRED-UHFFFAOYSA-N 432.517 4.457 5 20 IIBD CCN(Cc1cccc(F)c1)C(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C 60679255 JABUPIKPBASTGS-IBGZPJMESA-N 435.883 4.190 5 20 IIBD C[C@@H](NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1nnc2ccccn12 237469958 BBVHZXLHMWQSFT-QGZVFWFLSA-N 439.479 4.341 5 20 IIBD O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)c1 237822655 ULJPWAYYUWMGIE-SFHVURJKSA-N 441.862 4.013 5 20 IIBD Cc1cccc(C(=O)Nc2cccc(-n3ncc(C(=O)O)c3C(F)(F)F)c2)c1[N+](=O)[O-] 237920996 IBLLDYHBRIAPQR-UHFFFAOYSA-N 434.330 4.058 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNc2ccnn2C[C@@H]2CCOC2)cc1 238012296 JTMJANRTTLAHBU-SFHVURJKSA-N 444.495 4.293 5 20 IIBD Cc1cc(NCC2CCN(Cc3nc(C)c(C)o3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 301298727 ZBOQPKSASZVUDQ-UHFFFAOYSA-N 436.516 4.289 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC(Sc3ccc(Cl)cc3)CC2)s1 302070789 GPAXJRDGWCOQKY-UHFFFAOYSA-N 432.976 4.474 5 20 IIBD Cc1ccccc1[C@@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303480915 SWMJJQFQVWCJJG-MSOLQXFVSA-N 429.542 4.473 5 20 IIBD O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCC(c2nncn2C2CC2)CC1 426393048 BWPRPCJPDPPJJQ-UHFFFAOYSA-N 447.495 4.120 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCOc2ccc(C(F)(F)F)cc21 432749583 IMOMLDJAAZPWGN-UHFFFAOYSA-N 431.164 4.415 5 20 IIBD O=C(N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2 434277589 QNARVKNIEWDPKJ-HMPNUMLOSA-N 438.450 4.152 5 20 IIBD O=C(Nc1cc(Cl)c(Cl)cc1F)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 439963971 VWFLPVHJYUQHLC-UHFFFAOYSA-N 447.275 4.092 5 20 IIBD CCn1ncc2c(C(=O)Nc3ccc4cc([N+](=O)[O-])ccc4n3)cc(-c3ccccc3)nc21 440620956 QNFCDMZHMWASQF-UHFFFAOYSA-N 438.447 4.827 5 20 IIBD C[C@@H](NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1nc(C(C)(C)C)no1 444116475 WEANVMZXQWEDTI-SNVBAGLBSA-N 426.423 4.131 5 20 IIBD COCC[C@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccc(C)o1 444291429 QEYNGVGOTLGTNK-IBGZPJMESA-N 426.419 4.369 5 20 IIBD COc1ccc(C[C@@H](C)CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1OC 444295012 ZMQNMQSYFDZEMN-MRXNPFEDSA-N 430.504 4.307 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC(CO)(Cc2ccccc2)CC1 444616006 AXKSUZFFLLSMMU-UHFFFAOYSA-N 426.516 4.139 5 20 IIBD Cc1ccc(-c2cc(-c3nc(-c4c([N+](=O)[O-])ncn4C)no3)c3cnn(C(C)C)c3n2)cc1 445573733 IBRHTYBNBQYQKO-UHFFFAOYSA-N 444.455 4.346 5 20 IIBD CCOC(=O)[C@H]1CCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])c2ccccc21 446250168 VKIFVGDZRYHVAP-AWEZNQCLSA-N 430.482 4.023 5 20 IIBD O=C(CNc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)NCCOc1cccc(F)c1 462225557 HMYZJUDPSQDIFT-UHFFFAOYSA-N 425.416 4.133 5 20 IIBD CC[C@H]1CCc2c(sc3nc(Cc4cc(OC)cc(OC)c4[N+](=O)[O-])nc(O)c23)C1 462502690 IHKAYDHCNZJLTO-NSHDSACASA-N 429.498 4.428 5 20 IIBD COC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1OC(C)C 466653075 DBFLMCLXKKRZHX-UHFFFAOYSA-N 426.347 4.440 5 20 IIBD C[C@@H](NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])c1nnc2n1CCC2 466804582 VTWMYOLCSAYYMZ-GFCCVEGCSA-N 443.916 4.428 5 20 IIBD COc1cc(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)ccc1OCc1ccccc1 468709906 BFFAAENUXRKGCT-UHFFFAOYSA-N 442.493 4.198 5 20 IIBD CN(Cc1nc(C(F)(F)F)cs1)c1ccc(I)cc1[N+](=O)[O-] 470875827 KWOVFWJCLCUQIJ-UHFFFAOYSA-N 443.188 4.311 5 20 IIBD COCCN(C(=O)C[C@H]1CCC[C@@H](OC)C1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 483082219 AKSOSUYGLRNWMR-MAUKXSAKSA-N 433.530 4.293 5 20 IIBD CCc1cccc(N(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)[C@H]2C[C@H]3CC[C@H]2C3)c1 485247280 SBLRDJHGBNFVGM-ZWOKBUDYSA-N 442.537 4.396 5 20 IIBD CSC[C@@H]1CCCN1C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 489352977 GXAXEYASSMSASY-NRFANRHFSA-N 436.537 4.344 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cc2c(F)cc(Br)cc2[nH]1 490365434 KFMOACAOJSMRHC-UHFFFAOYSA-N 445.208 4.015 5 20 IIBD O=C(Nc1nc2ccc(I)cc2s1)c1ccc([N+](=O)[O-])s1 490920530 TUUMAJXHSRREKB-UHFFFAOYSA-N 431.236 4.123 5 20 IIBD CCOC(=O)[C@H]1CCCc2sc(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)nc21 493380844 AJKJGGHXLVUPLO-HNNXBMFYSA-N 447.516 4.373 5 20 IIBD CCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 494007434 RGXRTKFDEHURPP-GFCCVEGCSA-N 439.390 4.137 5 20 IIBD CC(C)C(=O)N(C)Cc1ccc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 498153238 NOJRNMNOYVXMAJ-JOCHJYFZSA-N 427.526 4.097 5 20 IIBD COc1cc2c(cc1OC)CN(Cc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1)CC2 499225593 DSMVFEMNSLTTLS-UHFFFAOYSA-N 447.491 4.423 5 20 IIBD Cc1ccc(Br)cc1NC(=O)CCNC(=O)Nc1cccc([N+](=O)[O-])c1C 501094151 CAKGOKNPKKMWDF-UHFFFAOYSA-N 435.278 4.124 5 20 IIBD Cc1cnc(O)n1-c1ccc([C@H](C)NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 501858602 VIVJSZHYUYPHAU-GJZGRUSLSA-N 426.498 4.153 5 20 IIBD CC[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc2c(c1)OCCO2 502203818 NPUGXTVETJOZJW-INIZCTEOSA-N 425.466 4.371 5 20 IIBD COc1cccc(-n2nc(C)c([C@H]3COCCN3CCc3ccc([N+](=O)[O-])cc3)c2C)c1 502308736 MKMHIKRYZQOFTM-HSZRJFAPSA-N 436.512 4.022 5 20 IIBD CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 505442315 POMJHNNFPJVFJH-UHFFFAOYSA-N 431.452 4.140 5 20 IIBD CC(=O)N1CCc2cc(NC(=O)c3ccc(N[C@H](C)c4ccccn4)c([N+](=O)[O-])c3)ccc21 506005257 SIAZXRNLAKRAED-OAHLLOKOSA-N 445.479 4.324 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1ccc(Oc2ccccc2)cc1 506268133 DWGZPSNRQRFGTI-HNNXBMFYSA-N 440.477 4.282 5 20 IIBD CCOc1ccc(-c2nc(CSc3ccc([N+](=O)[O-])c(S(C)(=O)=O)c3)co2)cc1 507652637 UKAHXBOIQUPSNO-UHFFFAOYSA-N 434.495 4.344 5 20 IIBD CCOc1cc2c(cc1CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)O[C@@H](C)C2 509389176 QVMVZEIBNTVJLG-INIZCTEOSA-N 427.501 4.437 5 20 IIBD Cc1c(Br)cc(C(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)cc1[N+](=O)[O-] 509634860 MTESJYUXLNCBCQ-ZDUSSCGKSA-N 436.281 4.061 5 20 IIBD Cc1nn(C)c(Oc2cccnc2)c1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 510632013 AHTMCZCKBNUMCW-UHFFFAOYSA-N 446.261 4.147 5 20 IIBD CCOc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c([N+](=O)[O-])cc1OCC 510672505 WPIHSWDMXNZFNO-CYBMUJFWSA-N 447.875 4.037 5 20 IIBD O=[N+]([O-])c1ccccc1N1CCN(Cc2nnc(-c3ccc(Cl)cc3Cl)o2)CC1 513689426 BZKMDFQIFCKLLW-UHFFFAOYSA-N 434.283 4.274 5 20 IIBD C[C@H](c1cccnc1)N1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 514151953 PYEKFMVONXVYRU-GOSISDBHSA-N 431.496 4.252 5 20 IIBD O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 515577846 TYSNMORDLOYVBD-UHFFFAOYSA-N 425.832 4.286 5 20 IIBD O=C(NC[C@H](c1ccccc1)N1CCc2sccc2C1)c1cc(F)cc([N+](=O)[O-])c1 518284384 KDRRRVSPMUKPDP-HXUWFJFHSA-N 425.485 4.325 5 20 IIBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1csc(-c2c(F)cccc2F)n1 522392906 GTADZCLJTVDAMN-UHFFFAOYSA-N 433.392 4.410 5 20 IIBD Cc1nc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)nn1-c1ccccc1C(C)C 523551384 PPMKRPTTWNMPNV-UHFFFAOYSA-N 431.456 4.250 5 20 IIBD COc1cc(C)c([C@@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1OC 531266354 PZICNLGYBKTOKT-GFCCVEGCSA-N 437.290 4.103 5 20 IIBD CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 533417448 VVMOMRCHQLQKJO-UHFFFAOYSA-N 445.882 4.281 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)[S@@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1C 534060655 JEUBZIZTFGNXLE-JGVYIQDASA-N 427.482 4.143 5 20 IIBD COc1cc(C(=O)N2CCC(CCO)CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 534703660 CKAIQAYYWMMACW-UHFFFAOYSA-N 434.876 4.284 5 20 IIBD Cc1cccn2cc(COc3ccccc3C(=O)NCCc3cccc([N+](=O)[O-])c3)nc12 535446687 NNJVPGYBCDYWMG-UHFFFAOYSA-N 430.464 4.102 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 539228690 FLAAJIIENNOYPC-KRWDZBQOSA-N 432.480 4.445 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 539841995 YOPHIRKWINGPAQ-QGZVFWFLSA-N 438.528 4.267 5 20 IIBD CCOc1cc(N(C)C2CCN(Cc3ncc(C)c(OC)c3C)CC2)ccc1[N+](=O)[O-] 540035164 HYSXEUMDRWNXLG-UHFFFAOYSA-N 428.533 4.115 5 20 IIBD O=C(N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)c1cc([N+](=O)[O-])cc2c1OCCO2 540924334 MMEJOBHYTQXWEP-HNNXBMFYSA-N 448.300 4.001 5 20 IIBD COc1ccc(NC(=O)CN[C@H](C)[C@H](C)c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 541637244 QOHFPYUEXUISEE-QWHCGFSZSA-N 425.407 4.343 5 20 IIBD CC(C)c1cccc(C(C)C)c1NC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 542646886 SYWCQNDTEGXINR-UHFFFAOYSA-N 433.530 4.437 5 20 IIBD C[C@H](c1ccncc1)N1CCC(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 543323692 KUELFFQRGBANCH-CQSZACIVSA-N 434.949 4.077 5 20 IIBD O=C(CN1CCc2c(Br)ccc(F)c2C1)Nc1ccc([N+](=O)[O-])cc1Cl 544529663 PBWVRPMKDWIFEF-UHFFFAOYSA-N 442.672 4.147 5 20 IIBD NS(=O)(=O)c1cccc(N[C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] 545345361 UMJXGAPUKDKMRX-ZIAGYGMSSA-N 429.420 4.009 5 20 IIBD COc1cc(-c2noc(Cc3ccc([N+](=O)[O-])cc3Cl)n2)ccc1OC[C@@H]1CCCO1 546282451 IVFNSSFRPLNXTE-INIZCTEOSA-N 445.859 4.455 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccccc3C[S@](C)=O)cc2[N+](=O)[O-])C1 546523293 IUVOAMTZQHCBGH-FUJBLVTHSA-N 429.542 4.208 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccccc3C[S@@](C)=O)cc2[N+](=O)[O-])C1 546523296 IUVOAMTZQHCBGH-VJEWJGBVSA-N 429.542 4.208 5 20 IIBD CN(C)C(=O)Nc1ccc(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)c(Cl)c1 546557715 DDQPXSGWTBQOSV-UHFFFAOYSA-N 440.847 4.464 5 20 IIBD O=C1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)[C@@H](C2CC2)N1 551333106 VAOLKLQNAMMQJJ-OXJNMPFZSA-N 445.928 4.186 5 20 IIBD CCN(C)C(=O)c1cccc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1 558049579 QYJNPWBMFVRSIB-IAGOWNOFSA-N 438.528 4.421 5 20 IIBD COc1ccc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCCO2)cc1 559176691 WUDNROINNMHTHN-NRFANRHFSA-N 437.500 4.067 5 20 IIBD Cc1cccc(OCCCc2noc(-c3cccc([N+](=O)[O-])c3N3CCOCC3)n2)c1C 561892602 JIEIIQLIARZNGB-UHFFFAOYSA-N 438.484 4.110 5 20 IIBD COc1ccc(CN2CC[C@H](C3CCN(C)CC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 561975310 CLMIQIFHSQHVBZ-QFIPXVFZSA-N 439.556 4.346 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1ccco1)Cc1ccc(C)s1 572769797 UDNMAWKZKVVFEO-UHFFFAOYSA-N 427.482 4.288 5 20 IIBD CCOc1ccc([C@H](C)NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1OC 573597216 UEPPJWMNIFACSB-AWEZNQCLSA-N 426.473 4.086 5 20 IIBD CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 577753713 CASKBSUTCNMQPM-PIGZYNQJSA-N 425.254 4.311 5 20 IIBD COc1cc(C(=O)NC[C@H]2CCOC[C@H]2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 579505468 GZKKCLIIYZRWIB-UKRRQHHQSA-N 434.876 4.452 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3ccc(O[C@@H]4CCOC4)cc3)n2)c(Br)c1 589133838 ROVCYWOUCXDMNZ-MRXNPFEDSA-N 446.257 4.166 5 20 IIBD COc1ccc(CN(C)C)cc1NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 603589767 ACVRDROQQWQJPW-IRXDYDNUSA-N 440.544 4.400 5 20 IIBD O=C(COc1ccc(Br)cc1F)Nc1cc([N+](=O)[O-])ccc1OC(F)F 603639175 WAAOCQAAMCDEAR-UHFFFAOYSA-N 435.152 4.115 5 20 IIBD Cc1cccc(N2CCN(C(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])CC2)c1C 603688770 SBXBZPJYMQFBAN-UHFFFAOYSA-N 437.418 4.115 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 603901726 WBRBVVGXAMDQCN-UHFFFAOYSA-N 431.427 4.330 5 20 IIBD COc1cc(CN2CCO[C@@H](c3ccc(F)c(F)c3)C2)c([N+](=O)[O-])cc1OC(F)F 608975998 JVEOEVSXRJXGSR-GOSISDBHSA-N 430.354 4.057 5 20 IIBD Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 609064783 OSJLUWZCDOKUSY-UHFFFAOYSA-N 447.426 4.454 5 20 IIBD CC1(C)CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCN1Cc1ccccc1 609192566 QJPAFDQTODENDX-UHFFFAOYSA-N 436.537 4.455 5 20 IIBD COc1ccc(/C=C\c2nc3ccccc3c(=O)n2-c2ccc(C(=O)O)cc2)cc1[N+](=O)[O-] 609295706 LRNBOQOXTXQSSN-QPEQYQDCSA-N 443.415 4.171 5 20 IIBD O=C(Nc1ccnn1[C@H]1CCCc2ccccc21)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609550829 CFXHKZXCUXWXDY-FQEVSTJZSA-N 429.436 4.223 5 20 IIBD CCCOc1cc(NC(=O)N2CCC[C@@H]2[C@@H](O)C(F)(F)F)c([N+](=O)[O-])cc1OCCC 609842664 AXKXPMZTCRYJPK-CXAGYDPISA-N 449.426 4.092 5 20 IIBD COc1cccc(Nc2ccccc2C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 609911250 VBFAMKWLCAXBGI-UHFFFAOYSA-N 432.480 4.309 5 20 IIBD COC(=O)c1cc(N(C)Cc2ccccc2[N+](=O)[O-])c2cc(Br)ccc2n1 610129004 XHUPGFZZMMHARA-UHFFFAOYSA-N 430.258 4.329 5 20 IIBD COc1ccc(CN(Cc2ccccc2)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 610211148 YBGRGZVAFHDYAK-UHFFFAOYSA-N 426.494 4.214 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2[nH]c3ccc(C)cc3c2C1 611200100 ODJDDSVCKKSVMA-UHFFFAOYSA-N 425.510 4.322 5 20 IIBD C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1cc(I)cc([N+](=O)[O-])c1 611549208 OOEHZNOQVUILRK-SCZZXKLOSA-N 442.175 4.002 5 20 IIBD COc1cccc([C@@H](C)c2noc(-c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)n2)c1 612917564 NMLQFVUIQNXPCY-GFCCVEGCSA-N 438.469 4.085 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 619467715 YFDSTHLJFLVQCG-UHFFFAOYSA-N 435.845 4.245 5 20 IIBD COc1ccccc1/C(C)=C/C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 727300253 CHELXTAKNXGPOZ-XAVZPLJISA-N 426.469 4.206 5 20 IIBD Cc1csc(Nc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)c2)n1 729333771 IEMAFSWIYJHJOX-UHFFFAOYSA-N 439.497 4.192 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N2CCC[C@H]2COc2ccc(Cl)cc2)c([N+](=O)[O-])c1 732566441 LVKBLTHGMYCCCC-KRWDZBQOSA-N 440.887 4.261 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1nn(Cc2ccccc2)c(=O)c2ccccc12 734780340 SNZUADKVLMLRIH-UHFFFAOYSA-N 449.850 4.363 5 20 IIBD CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 735442827 JKEGAQLMWNBJPU-OAQYLSRUSA-N 433.420 4.257 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(CS(=O)(=O)Cc2coc(-c3ccc(F)c(F)c3)n2)c1 735563956 ZEOCEVCBTILKIU-UHFFFAOYSA-N 428.800 4.296 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 741555384 DKSMGDSPUPTLBR-AWEZNQCLSA-N 448.932 4.139 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(NCc2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)cc1Cl 741751792 NOWXVXIVBOGBAR-GASCZTMLSA-N 447.919 4.256 5 20 IIBD O=[N+]([O-])c1cn(CN(Cc2ccc3c(c2)OCO3)C2CCCCC2)nc1-c1ccncc1 742147474 DAWRQSDSOMKQCY-UHFFFAOYSA-N 435.484 4.374 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 743071265 MPFAFUPSOGUAAW-SWLSCSKDSA-N 426.901 4.453 5 20 IIBD Nc1c(C(=O)OCc2ncc(-c3cccc(Br)c3)o2)cc(F)cc1[N+](=O)[O-] 744823689 PEPXSYJLJCXBKJ-UHFFFAOYSA-N 436.193 4.091 5 20 IIBD O=C(OCc1cccc(Cl)n1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 745063694 CCQZTZQXRQYSFI-UHFFFAOYSA-N 427.631 4.493 5 20 IIBD CN(C)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)nc1 745129012 YYIQRGUPBBQGDP-UHFFFAOYSA-N 439.859 4.214 5 20 IIBD Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 745438398 QVKXJYKYSXFUQV-UHFFFAOYSA-N 449.250 4.191 5 20 IIBD C[C@H](OC(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 745456994 BQESDSAUCVZIQK-BBRMVZONSA-N 446.460 4.039 5 20 IIBD O=C(OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(Cl)c(C(F)(F)F)c1 747116197 NUAZJBDCAYMQJJ-UHFFFAOYSA-N 428.750 4.013 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)Cc1cc(Cl)ccc1Cl 748399933 IXUONFBSHKEFNF-SNVBAGLBSA-N 427.240 4.023 5 20 IIBD COc1cc(CN(C)C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)ccc1OC(F)F 748608081 QHZIFWROSOWCTE-UHFFFAOYSA-N 439.371 4.002 5 20 IIBD CCOC(=O)Nc1ccc2c(CN(Cc3ccccc3[N+](=O)[O-])C3CC3)cc(=O)oc2c1 749528755 LRGMKBRWSJJZBN-UHFFFAOYSA-N 437.452 4.434 5 20 IIBD CC(C)(C)C(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)cc1 749866827 BYYDAIYFPLABEJ-UHFFFAOYSA-N 441.303 4.387 5 20 IIBD O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1 749940509 JPIDHSRDQKJCOG-UHFFFAOYSA-N 430.892 4.315 5 20 IIBD CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 751310668 UBSFXQFLPDZLFV-BTYIYWSLSA-N 443.931 4.206 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccccc1)C[C@H](O)c1ccco1 752769888 UOIXXUQZHJOVAW-UZLBHIALSA-N 426.494 4.431 5 20 IIBD Cc1c([C@H](C)NC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)oc2ccccc12 752830017 CCTOBNOQLVLDHV-KBPBESRZSA-N 425.416 4.019 5 20 IIBD C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1Br 755307607 VZSDOOGCLXKRET-JZKQVHKSSA-N 433.302 4.277 5 20 IIBD CCOC(=O)Nc1ccc(Br)cc1NC(=O)c1ccc([N+](=O)[O-])cc1OC 756743465 KYQSZCWPIXTISR-UHFFFAOYSA-N 438.234 4.187 5 20 IIBD CN(CCC1CCN(c2ccncc2)CC1)Cc1c(Br)cccc1[N+](=O)[O-] 757911913 HSSGJLXMMUWUEA-UHFFFAOYSA-N 433.350 4.491 5 20 IIBD Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 759773503 HEQNGUJZBKNENG-SFHVURJKSA-N 433.940 4.209 5 20 IIBD CC(C)OCc1cccc(NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1 760342074 FUADKGVJDCYAPN-UHFFFAOYSA-N 429.292 4.083 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CCO1 761335575 AACPQICAIJVTPE-IERDGZPVSA-N 435.524 4.142 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H](C)C[C@@H](O)c2ccco2)cc1 761858898 AWDQDIUNICHWFJ-AUUYWEPGSA-N 426.425 4.231 5 20 IIBD CC(C)=CC(=O)NCc1ccc(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)cc1 762310729 WKDUDHCFTDHKCJ-UHFFFAOYSA-N 431.452 4.299 5 20 IIBD CN(C)c1ccc(NC(=O)c2cc(C(=O)Nc3ccc(N(C)C)cc3)cc([N+](=O)[O-])c2)cc1 763358140 OUEHRMKEMXNIJJ-UHFFFAOYSA-N 447.495 4.231 5 20 IIBD O=C(COC(=O)/C=C\c1ccc2[nH]ccc2c1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 766178273 NXDWAXTWPWGHQZ-KXFIGUGUSA-N 433.342 4.290 5 20 IIBD C[C@@H](CNC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Oc1ccccc1Br 766457803 RLLDDPSTAZMLGX-HNNXBMFYSA-N 434.334 4.383 5 20 IIBD COc1cccc(C(=O)O[C@@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)c1[N+](=O)[O-] 769603724 JEWRTPOFGLTSFA-QGZVFWFLSA-N 440.374 4.442 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCCNC(=O)c1ccccc1C(F)(F)F 769771260 PLQQBIAMEMZYLS-GFCCVEGCSA-N 442.415 4.067 5 20 IIBD O=C(Cc1csc(NC(=O)c2ccccc2F)n1)OCc1ccc(Cl)cc1[N+](=O)[O-] 775846832 CBGROHXACZQBGW-UHFFFAOYSA-N 449.847 4.382 5 20 IIBD O=[N+]([O-])c1ccc([C@@H](O)CSc2nnc(-c3cccs3)n2Cc2ccco2)cc1 776276112 GZQTTWDQODHFLA-INIZCTEOSA-N 428.495 4.382 5 20 IIBD CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 777233430 LIGVIUJHJHHWGW-JWTNVVGKSA-N 427.888 4.156 5 20 IIBD COc1cc(COC(=O)[C@H]2SCCc3ccccc32)c([N+](=O)[O-])cc1OCC(F)F 780067439 UWOASGQKDQYMSO-IBGZPJMESA-N 439.436 4.321 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1cc(Cl)ncc1Cl)c1ccccc1[N+](=O)[O-] 780271950 ZFLXKSHSDUYFAB-CQSZACIVSA-N 426.256 4.109 5 20 IIBD C[C@@H](NC(=O)NCc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2)c1cccc([N+](=O)[O-])c1 780311654 FDRDTDFIRUITCR-OAHLLOKOSA-N 440.500 4.406 5 20 IIBD COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccc([N+](=O)[O-])c(C)c1 781170753 YETSFMYSTUKQRN-LJQANCHMSA-N 430.457 4.221 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 784586955 ZVCOXUXELCZBPM-KRWDZBQOSA-N 443.504 4.232 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 784940795 MUNOJFAERWXNCS-INIZCTEOSA-N 440.308 4.157 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N[C@H]2c3ccccc3CC[C@@H]2C)cc1[N+](=O)[O-] 785064504 YCAKEULCRULAEU-BBATYDOGSA-N 446.301 4.044 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Oc3ccc4c(c3)OC(=O)C[C@@H]4C)cc2)c(C)c1[N+](=O)[O-] 785379401 AJFQOHFSKIOZMJ-ZDUSSCGKSA-N 435.436 4.088 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)cs1 788958934 ORYARGWHKWSZJO-MRXNPFEDSA-N 436.490 4.101 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCc2c(Br)cccc2C1 790546100 LESZFRRHXXYTHM-UHFFFAOYSA-N 427.657 4.277 5 20 IIBD CCc1[nH]nc(C(=O)Nc2cc(C)c(F)cc2C(=O)N[C@@H](C)c2ccccc2)c1[N+](=O)[O-] 793881496 LNKOSHJIZFTBAJ-ZDUSSCGKSA-N 439.447 4.071 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NC[C@H](c2cccs2)N2CCC(C)CC2)c1[N+](=O)[O-] 796448380 IZPLBVFRFSBUML-QGZVFWFLSA-N 434.518 4.250 5 20 IIBD CSc1ccccc1[C@H](C)OC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O 800009570 WARGWUCNVUXYHG-AWEZNQCLSA-N 425.466 4.089 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H](Cc1ccccc1)c1cccs1 800614377 SCBFMGBFGHQATF-INIZCTEOSA-N 427.457 4.143 5 20 IIBD COc1ccc(-c2cc(C(=O)OCC(=O)N(C)c3ccc([N+](=O)[O-])cc3)sc2C)cc1 800843735 MALFNEYVHUJLJB-UHFFFAOYSA-N 440.477 4.460 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(c2cccc(F)c2F)CC1 802484754 OHBUXQBLOWQDOZ-UHFFFAOYSA-N 443.454 4.162 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)[C@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] 808487569 CIKPMBYLTLILNP-YJYMSZOUSA-N 445.438 4.270 5 20 IIBD CCN(C)C(=O)CSc1ccc([C@@H](C)OC(=O)c2cccc([N+](=O)[O-])c2OC)cc1 809076126 NACHHZLNVFPITE-CQSZACIVSA-N 432.498 4.092 5 20 IIBD C[C@H](NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ncc(-c2ccccc2)o1 809819779 FBBWDACLSNITON-JTQLQIEISA-N 425.825 4.082 5 20 IIBD C[C@@H](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccc(OCC(=O)NC2CC2)cc1 809970789 MHXIKUUTJUDACO-GFCCVEGCSA-N 438.311 4.410 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)c1ccc(N2CCCCC2=O)cc1 811004716 BLNIDBFJAZSGPY-GJZGRUSLSA-N 445.903 4.410 5 20 IIBD O=C(COC(=O)c1cc(C(F)(F)F)cc(Cl)n1)Nc1cc(Cl)ccc1[N+](=O)[O-] 811231845 UKVAYGPLHWGSEY-UHFFFAOYSA-N 438.145 4.111 5 20 IIBD CC(C)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)nc1 811263939 VUCJVHALWJIVHX-NSHDSACASA-N 425.363 4.316 5 20 IIBD O=C(NC[C@@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1)C(F)(F)F 811514272 GOAHHPSMDKAWSI-LBPRGKRZSA-N 445.825 4.399 5 20 IIBD O=C(NC1CCCC1)OC[C@H]1CCCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 813266788 UMXMGFLZCULPHS-QGZVFWFLSA-N 431.514 4.473 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC[C@H]21 814155729 ZJTPOYBVTSBXAR-FUHWJXTLSA-N 431.533 4.364 5 20 IIBD Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)c3c(C)noc3n2)cc1 829438888 SMIGKGYKWBJMKN-UHFFFAOYSA-N 431.404 4.455 5 20 IIBD Cc1ccc(-c2noc(CCCOC(=O)CSc3ccc([N+](=O)[O-])cc3)n2)cc1F 913286444 UTDCBEYNXUGFGR-UHFFFAOYSA-N 431.445 4.360 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)CCc2ccc(-c3ccccc3F)o2)cc([N+](=O)[O-])c1C 916178393 MLTWLFUOMBQORK-UHFFFAOYSA-N 446.456 4.048 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NCc2ccccc2CN2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] 917077646 OGGKLWXWAAFLNN-HZPDHXFCSA-N 442.516 4.394 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])Nc1nc(Cc2ccc(Br)cc2)cs1 917712656 LTIVPPKJFYSFIS-UHFFFAOYSA-N 448.298 4.422 5 20 IIBD O=C(Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1)c1ccccc1 918576578 QKYYWBPMRGRMFA-UHFFFAOYSA-N 444.491 4.377 5 20 IIBD C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)[C@H](C)CO1 918587915 LCINDOQREUYVSA-MOPGFXCFSA-N 437.540 4.303 5 20 IIBD COc1ccc(C(=O)COC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Br 919215099 WYPVSEAATNDMKH-UHFFFAOYSA-N 434.198 4.152 5 20 IIBD Cc1c(C(=O)OCC(=O)N[C@@H](c2ccccc2)C2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 919227847 RCQCBVQPHVZGJL-NRFANRHFSA-N 441.440 4.016 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@@H]2COc3ccccc3C2)cc1[N+](=O)[O-])c1ccccn1 919694574 YNPVOOQUBOWFFL-DLBZAZTESA-N 432.480 4.144 5 20 IIBD Cc1nn(C)c(C(=O)OCc2nc3cc(Cl)ccc3n2Cc2ccccc2)c1[N+](=O)[O-] 920658167 FAOXUJZQQZFFTO-UHFFFAOYSA-N 439.859 4.045 5 20 IIBD COc1cccc(C(=O)NCCNCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c1 1116013544 FEVHBQGIUIETST-UHFFFAOYSA-N 429.860 4.036 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2OCCC[C@H]2C1 1319354356 GQRLQSIVHXSRJB-CVDCTZTESA-N 446.507 4.018 5 20 IIBD Nc1c(C(=O)NCC2(CCOCc3ccccc3)CC2)cc(Br)cc1[N+](=O)[O-] 1321258749 PTDXKEYBDLTOMD-UHFFFAOYSA-N 448.317 4.056 5 20 IIBD COc1ccc(Sc2nsc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)n2)cc1 1323221350 HRMOOTWXZUGFIP-UHFFFAOYSA-N 439.478 4.407 5 20 IIBD O=[N+]([O-])c1cccc(-n2ccc(-c3nnc(-c4ccc(F)cc4Br)o3)n2)c1 1326283318 JPODDMCONNGBGN-UHFFFAOYSA-N 430.193 4.399 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N[C@@H](CCO)c1ccc(Cl)cc1 1336405505 FPHLLHFOPVQHCG-ZDUSSCGKSA-N 438.811 4.077 5 20 IIBD COC(=O)c1cc(-c2nnc([C@@H](C)Oc3cccc(Br)c3)o2)cc([N+](=O)[O-])c1 1341410308 PWPQBKHPEUKWFP-SNVBAGLBSA-N 448.229 4.334 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(-c2nnc(-c3cc(-c4ccccc4)on3)o2)cc1OC 1346056046 XWSRCSYGKJYBSK-UHFFFAOYSA-N 438.396 4.001 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1)c1cc2sccn2c1 1788412024 ISQWESNVHOJVOD-UHFFFAOYSA-N 449.492 4.299 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3cccs3)CCC2)cc1)c1ccc(O)c([N+](=O)[O-])c1 1790619139 UZUAWFZRLPWEFO-UHFFFAOYSA-N 437.477 4.423 5 20 IIBD CC(C)C(=O)NC1(c2ccc(NC(=O)CSc3ccccc3[N+](=O)[O-])cc2)CCC1 1791521534 SEVRKVHTZFODKH-UHFFFAOYSA-N 427.526 4.477 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cccc2ccccc12 1800525231 XPQNPJUDDAJLCD-ACDBMABISA-N 447.466 4.453 5 20 IIBD Cc1ccoc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])n[nH]1 1823500760 JGMJNBIOAFEDBN-JBVUFVISSA-N 449.467 4.239 5 20 IIBD CC(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 1824162096 HSLFJKDHDNDIRK-IBGZPJMESA-N 435.952 4.066 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1824346210 DSMXRDRWTURWBI-KKSFZXQISA-N 433.524 4.403 5 20 IIBD Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)c1 1829997765 NHPQBODVOAJORH-IBGZPJMESA-N 425.485 4.043 5 20 IIBD Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)o1 1830492346 DNZYINMLRCNIPS-HXUWFJFHSA-N 443.475 4.182 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@]2(C)C[C@H]2C)CC1 1830734127 YUZSZNQBQGYOMV-VEQVNTQVSA-N 445.535 4.322 5 20 IIBD CC(C)(C)CC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 1831291516 ZTUAVCNVFFNIHM-NRFANRHFSA-N 447.551 4.332 5 20 IIBD CC(C)(C)CCCCCC(=O)N1CC2(CCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)C1 1841004389 DYQIQKUEFJXBEB-UHFFFAOYSA-N 429.561 4.337 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1oc2ccccc2c1CSC 9785995 KYMCGFZNOFQOPC-GFCCVEGCSA-N 444.465 4.397 5 20 IIBD O=C(COC(=O)c1cc(F)c(F)cc1Cl)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 11401693 NSCHKNOMBDLWTA-UHFFFAOYSA-N 438.692 4.341 5 20 IIBD COc1cc(CCNC(=S)Nc2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])cc1OC 15155435 OXWRQQUFPAROTJ-UHFFFAOYSA-N 430.313 4.448 5 20 IIBD O=C(OCC(=O)N1CCCCC1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 20970797 TZQCVTKHVIBOBN-UHFFFAOYSA-N 431.876 4.030 5 20 IIBD Cc1ccc(-c2csc(NC(=O)c3nn(-c4ccccc4[N+](=O)[O-])c(C)cc3=O)n2)cc1 21891080 FYDQTYMQJPHGDA-UHFFFAOYSA-N 447.476 4.133 5 20 IIBD CC(=O)c1ccc(N2CCN([C@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)c([N+](=O)[O-])c1 25494528 LSTUBPPKSXOXJH-MRXNPFEDSA-N 435.484 4.039 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2nnc(-c3ccccc3Cl)s2)cc1OC 60017736 NMQZMKFWZUBQLY-UHFFFAOYSA-N 434.861 4.426 5 20 IIBD Cc1cnc(NC(=O)c2ccccc2NS(=O)(=O)c2cc(C)c(C)c([N+](=O)[O-])c2)s1 63243410 PLMYULFVHCHXNM-UHFFFAOYSA-N 446.510 4.030 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC1(c2ccc(F)cc2)CCOCC1 410025304 IUOQQFMUNAHVQP-UHFFFAOYSA-N 430.479 4.116 5 20 IIBD C[C@H](c1ccccc1)N1CCC(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 430598849 ULHXWEIMSFJLNQ-CQSZACIVSA-N 432.318 4.313 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2c3ccccc3CC[C@@H]2C(C)C)cc1OC 431590003 NZWAZBSUGABTNW-GOSISDBHSA-N 428.485 4.246 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1F 432368710 NPMWHYFLPIWUBF-UHFFFAOYSA-N 431.601 4.189 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H](c3ccccc3)c3ccccc32)c2ncccc12 435732264 NWIZOIKCXAMZDU-LJQANCHMSA-N 431.473 4.484 5 20 IIBD O=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1ccc2[nH]c3ccccc3c(=O)c2c1 435947903 GMXTUPADNOQERQ-UHFFFAOYSA-N 434.879 4.078 5 20 IIBD O=C(Nc1cc(Br)cnc1O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436316740 JYFMNDYRFJLFCE-UHFFFAOYSA-N 446.207 4.075 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1O)N(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 436864647 OUOZDCNUDZKHDR-OAQYLSRUSA-N 446.507 4.002 5 20 IIBD COc1cc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc(OC)c1Br 437130008 XGYJNWRFZHJCNC-UHFFFAOYSA-N 435.274 4.179 5 20 IIBD CCOc1cc2c(cc1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)O[C@H](C)C2 437710777 WBQWCSJZQBIHRL-OAHLLOKOSA-N 425.485 4.191 5 20 IIBD COc1cc(C(=O)N2CCC(c3ccccc3Br)CC2)cc([N+](=O)[O-])c1OC 439025436 GKXSEIHKOVOVHY-UHFFFAOYSA-N 449.301 4.394 5 20 IIBD Cc1c(NC(=O)NCc2noc(-c3cccc(Br)c3)n2)cccc1[N+](=O)[O-] 439072603 YALBVDFLPXJQSU-UHFFFAOYSA-N 432.234 4.037 5 20 IIBD O=C(c1cccc(N2C(=O)CCC2=O)c1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 440616952 SRVMIGDWGWDBTG-UHFFFAOYSA-N 429.432 4.095 5 20 IIBD O=C(c1cc(C2CC2)no1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 440758979 SICBUAGLQXVMGK-UHFFFAOYSA-N 438.509 4.147 5 20 IIBD CC(C)[C@@H](C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1 443833414 GYARSIOCKXSDTA-GOSISDBHSA-N 445.522 4.262 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCO[C@]2(CCc3ccccc32)C1 444247069 SDFPVBKJCNDTRR-AREMUKBSSA-N 446.453 4.274 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 445227803 XFYNFVYQUARPBG-GOSISDBHSA-N 433.390 4.440 5 20 IIBD COc1ccc(NC(=O)Cc2noc(/C=C/c3ccc(F)cc3[N+](=O)[O-])n2)cc1Cl 445366734 GEJRYZQXUTYYJJ-XVNBXDOJSA-N 432.795 4.131 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(-c3ccc(Oc4cccc(Cl)c4Cl)nn3)n2)n1C 445612953 LUIHLOXKYZGMCQ-UHFFFAOYSA-N 448.226 4.243 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 445789446 GPKZTRNJKWYXKV-UHFFFAOYSA-N 430.526 4.414 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)cc1[N+](=O)[O-])c1ccccn1 446653800 OGBKOOKDMPHSFE-OAHLLOKOSA-N 436.516 4.456 5 20 IIBD Cc1ccc(CN2CC[C@H](Nc3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])C2=O)cc1 447669405 JLGBPJPDHXYMAN-ZDUSSCGKSA-N 444.360 4.165 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCCc1ccn(-c2ccccc2)n1 447686626 AFXHAIGNBHRSSF-UHFFFAOYSA-N 427.333 4.484 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC(Nc2cccc(Br)c2)CC1 447686946 BEIKMMLKFJEAPA-UHFFFAOYSA-N 448.317 4.229 5 20 IIBD Cc1ccsc1-c1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1C[C@@H]1CCCO1 461125005 NDXXCVNZZOSWJJ-KRWDZBQOSA-N 427.530 4.081 5 20 IIBD CCN(CCOc1ccc(Br)cc1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 461200130 VQRASBMDCLCOGH-UHFFFAOYSA-N 432.274 4.380 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H](c1ccccc1)c1ccccn1 462472766 IQBCQVHVOKVROX-QGZVFWFLSA-N 438.292 4.365 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 462498678 FBNKEDOXCTYQCZ-GCJKJVERSA-N 445.947 4.007 5 20 IIBD CCO[C@H]1C[C@H](NCc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C12CCCC2 462759093 WJMOCTCMJDIXKN-ROUUACIJSA-N 432.439 4.372 5 20 IIBD CNc1c(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cccc1[N+](=O)[O-] 462902029 KCIUBMKQQCEVHC-UHFFFAOYSA-N 444.797 4.019 5 20 IIBD Cc1ccccc1-n1c(S[C@@H](C)c2ccccc2[N+](=O)[O-])nnc1N1CCOCC1 463279731 QRLGLRLMVCUULT-INIZCTEOSA-N 425.514 4.174 5 20 IIBD CC1CCN(c2ccc(C(=O)N(C)Cc3nccn3Cc3ccccc3)cc2[N+](=O)[O-])CC1 464268747 SHEXWDDDTIJOCP-UHFFFAOYSA-N 447.539 4.348 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC=C(c2cccc3ccccc23)CC1 465169441 OAXHUEBHYXRQRS-UHFFFAOYSA-N 430.460 4.378 5 20 IIBD C[C@@H]1CCN(CCOc2ccc(NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)cc2)C1 465195319 NBQKXRXITZHKKI-IAGOWNOFSA-N 429.542 4.435 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 467837667 FCJQEVMFDZHTHG-KCPJHIHWSA-N 436.295 4.082 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1Oc1cc(F)cc(F)c1 469091472 UFJWLKUKZNGXGO-UHFFFAOYSA-N 441.390 4.424 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N2CC[C@H](OCC(C)C)C2)cc1[N+](=O)[O-] 469238722 JWTIWQGTFXOQLA-KRWDZBQOSA-N 442.537 4.435 5 20 IIBD COC(=O)c1cc(C(=O)N2CCCC[C@@H]2c2ncc(-c3ccccc3)[nH]2)cc([N+](=O)[O-])c1 470960274 OQCANACRSNKJOG-HXUWFJFHSA-N 434.452 4.139 5 20 IIBD Cc1cnc(OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)c([N+](=O)[O-])c1 477160748 YBKLAOJVRRWDBN-QGZVFWFLSA-N 440.843 4.301 5 20 IIBD CC(C)(C)OC(=O)CCc1cccc(N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 480136695 IFVVZMDZNXTSMM-FQEVSTJZSA-N 425.485 4.087 5 20 IIBD CC[C@@H](CN(CC)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 482268762 ZTIQSPYIHIGBDA-FUHWJXTLSA-N 429.542 4.303 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCC(O[C@H]2CCOC2)CC1 483655526 DQUMSTMDOKBLOW-NRFANRHFSA-N 427.457 4.189 5 20 IIBD COc1ccc(CN(C)C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1C 485889569 CZZLZBQUVHNNDR-UHFFFAOYSA-N 425.407 4.391 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)N(CC(=O)Nc1ccc(Cl)cc1)Cc1cccnc1 486143092 FJMHHOHALJRXAT-UHFFFAOYSA-N 438.871 4.233 5 20 IIBD C[C@H](NC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1cccc([N+](=O)[O-])c1 486212824 FLRGBYUZKVQUNF-GTNSWQLSSA-N 437.283 4.067 5 20 IIBD O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCN(c2ccccc2O)CC1 486453452 USGONROJPRMVBI-UHFFFAOYSA-N 435.505 4.414 5 20 IIBD CC(C)(C)C(=O)c1ccc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1 487941428 CTWWODKINBELJT-UHFFFAOYSA-N 425.441 4.150 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)cc1[N+](=O)[O-] 488079028 JZCYAUAXRGVBQK-IUODEOHRSA-N 436.295 4.440 5 20 IIBD Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1C(=O)N(C)C(C)C 488213698 SQCCWSXVNLRLCN-UHFFFAOYSA-N 434.290 4.398 5 20 IIBD CCOc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC)cc1 489430065 CQKCOCUMADYZNF-CQSZACIVSA-N 441.513 4.391 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)cc1[N+](=O)[O-] 489939952 SRVXVIOAMBXJLT-KUHUBIRLSA-N 427.892 4.440 5 20 IIBD CC(C)(NS(=O)(=O)c1cccc(Cl)c1Br)c1ccccc1[N+](=O)[O-] 490450370 BJPFMKMLWCEIIT-UHFFFAOYSA-N 433.711 4.224 5 20 IIBD CC(C)OCCN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 491116836 KSGUNNWPCLKLON-UHFFFAOYSA-N 443.569 4.365 5 20 IIBD COc1cc(CN[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F 493681298 AWMLRLKZQASHOI-VQIMIIECSA-N 449.498 4.390 5 20 IIBD O=C(Nc1cc(Cl)c(F)c(Cl)c1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 494871339 OHDZGIALVUIWNN-UHFFFAOYSA-N 447.275 4.092 5 20 IIBD CC(=O)NCc1ccc(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)cc1 498002222 MAJSVDCYDKANPZ-UHFFFAOYSA-N 442.522 4.399 5 20 IIBD O=C(Nc1cccc(-c2ccc3c(c2)OCCO3)n1)c1ccc([N+](=O)[O-])c2cccnc12 498277557 RRSHNZOUXDUBDH-UHFFFAOYSA-N 428.404 4.229 5 20 IIBD CCc1cccnc1C(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 499493941 ADZSFCOXVOBXAG-UHFFFAOYSA-N 436.537 4.239 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccnc(-c3ccccc3)c2)ccc1[N+](=O)[O-] 500415209 IYPUMSIGBSVVBH-QFIPXVFZSA-N 430.464 4.209 5 20 IIBD CCCOc1cc(NC(=O)C(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)c([N+](=O)[O-])cc1OCCC 503389965 ORYYDARGGZCSPJ-HRCADAONSA-N 435.521 4.052 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1cc(Br)cn1C 503428406 LUUYPGRCFQUGNY-UHFFFAOYSA-N 426.336 4.470 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N[C@H](CC1CCCC1)c1ccccc1 505269320 VBIQMWJVWXHWBX-GOSISDBHSA-N 429.904 4.416 5 20 IIBD CN(Cc1ccc(Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 505356309 UORLQKWKWIWSRQ-SFHVURJKSA-N 432.542 4.304 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(NC(=O)CN2CCCCCC2)c1 505794998 IMBLKTVJNHDOCC-UHFFFAOYSA-N 442.541 4.140 5 20 IIBD Cn1cc(CN2CCN(Cc3ccc(Cl)s3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 506116129 PZIQVQGEUQIFEN-UHFFFAOYSA-N 431.949 4.028 5 20 IIBD CC[C@@H](C)Oc1ccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 508179604 WTLPXWJGRXLNPK-CYBMUJFWSA-N 427.486 4.304 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CSc2ccccc21 509406874 YHTHFPILKRDCMN-AWEZNQCLSA-N 440.262 4.085 5 20 IIBD CCOc1ccc(Oc2cc(CNCc3cc(OC)c(O)cc3[N+](=O)[O-])ccn2)cc1 509564940 XWIIJKKBJHOFTF-UHFFFAOYSA-N 425.441 4.185 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)cc1[N+](=O)[O-] 509993921 JOVILXXNPLCIQX-KRWDZBQOSA-N 448.273 4.036 5 20 IIBD CN(c1ccccc1)c1ccc(CN2CCC[C@H](c3nnc4n3CCC4)C2)cc1[N+](=O)[O-] 513667424 RMRMRWPWZSRWLH-IBGZPJMESA-N 432.528 4.280 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@H](COc2ccccc2Cl)C1 513836206 CRAGNBWRPSROKA-ZDUSSCGKSA-N 445.324 4.381 5 20 IIBD CCOc1cc(C(=O)N2CCC(CCc3ccc(O)cc3)CC2)c([N+](=O)[O-])cc1OC 514488182 IPNXGCNHDGWOPY-UHFFFAOYSA-N 428.485 4.193 5 20 IIBD COc1ccc(CNC(=O)NCc2ccccc2COCc2ccccc2)cc1[N+](=O)[O-] 515828629 XQDXJLQKOMSCKJ-UHFFFAOYSA-N 435.480 4.320 5 20 IIBD CC1CCN(CCCCNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 516324841 REHQGIBFGZIZNZ-LJQANCHMSA-N 439.560 4.405 5 20 IIBD Cc1cccc(COc2cccc(NC(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)c2)c1 517647366 FSWJMXSVHCDAEX-UHFFFAOYSA-N 440.477 4.138 5 20 IIBD CCN1CC[C@H](N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2Cc2ccccc2)[C@@H](C)C1 518634175 YFYFLOULYSZCTM-AVRDEDQJSA-N 434.544 4.068 5 20 IIBD CC(C)(C(=O)NCCc1cnc(SC2CCCC2)nc1)c1ccc([N+](=O)[O-])cc1F 519021692 SRKBAPMWTQAUQP-UHFFFAOYSA-N 432.521 4.195 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N(Cc1cccc(Br)c1)C1CC1 519166707 DHYQEKOQXBLKQR-UHFFFAOYSA-N 441.285 4.348 5 20 IIBD O=C(Nc1cccc(OCc2cccc(F)c2)c1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 521336068 WEDLALIBPNYXBS-UHFFFAOYSA-N 433.399 4.146 5 20 IIBD Cc1c(NC(=O)[C@H](C)NCC2(c3ccccc3Cl)CCOCC2)cccc1[N+](=O)[O-] 521581601 BBHVRXLKXBBBCG-INIZCTEOSA-N 431.920 4.222 5 20 IIBD CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 522544326 OXRLZYIMIKRQHS-PZJWPPBQSA-N 443.931 4.299 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCCN(Cc2ccccc2)c2ccccc21 523144327 KPDCQZGWQKZULN-UHFFFAOYSA-N 445.475 4.423 5 20 IIBD O=C(c1ccc(Oc2cccc(Cl)c2)cc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 523360692 GFQANKAXXQFHRQ-UHFFFAOYSA-N 438.871 4.398 5 20 IIBD CCOc1cc(C(=O)Nc2cc(C(=O)OC(C)C)ccc2Cl)c([N+](=O)[O-])cc1OC 524038852 OALCWTCALZUYNI-UHFFFAOYSA-N 436.848 4.473 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccnn1Cc1ccc(Br)cc1 524553137 GGPOAHMQFCILKG-UHFFFAOYSA-N 449.692 4.437 5 20 IIBD COC(=O)C(C)(C)c1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 525595251 DXZSRGRTCMZWHK-UHFFFAOYSA-N 440.374 4.239 5 20 IIBD Cc1csc(CSc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])n1 531038821 QGPAXVDELZRWNM-UHFFFAOYSA-N 427.573 4.217 5 20 IIBD NC(=O)c1ccc(NCc2ccccc2)c(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c1 533700652 KAJAUWJCZGLYSH-UHFFFAOYSA-N 429.436 4.039 5 20 IIBD C[C@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1nc(-c2ccccc2)no1 534831811 OPUAMPYIZOCOST-CYBMUJFWSA-N 435.465 4.302 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cccc(CS(=O)(=O)c2ccccc2)c1 535396392 OLOIJLZGJUOLGG-UHFFFAOYSA-N 449.488 4.231 5 20 IIBD CCCOc1c(Br)cc(C(=O)NCCc2cccc([N+](=O)[O-])c2)cc1OC 535445957 JKEPRBCEJSXNJQ-UHFFFAOYSA-N 437.290 4.127 5 20 IIBD CN1CC[C@@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 535675666 NLWRFKNSCGASFP-VBKZILBWSA-N 437.924 4.289 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 538041756 ALLSDPFQDFFOLB-BLVKFPJESA-N 444.285 4.412 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCC(=O)N(C)C)cc1 540735055 MPPDJVPZMLAMRS-UHFFFAOYSA-N 431.514 4.206 5 20 IIBD Cc1c(NC(=O)CCN2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)cccc1[N+](=O)[O-] 540863822 FIXVMWBFJSLGGH-SFHVURJKSA-N 440.548 4.277 5 20 IIBD CCC[C@H](NC(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 542070495 XKKUVYKQMIMIIO-HNNXBMFYSA-N 439.390 4.218 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1OCc1cccnc1 542541880 ANFYPIBDINGVTI-AWEZNQCLSA-N 425.416 4.459 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F 543639077 BIJAHRZZUAVEIL-MGPLVRAMSA-N 426.242 4.394 5 20 IIBD COc1ccc(COc2ccc(-c3noc(COc4ccccc4[N+](=O)[O-])n3)cn2)cc1 545646285 CLCYUJVDVCULAX-UHFFFAOYSA-N 434.408 4.206 5 20 IIBD Cc1nc(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)nn1-c1ccccc1C(C)C 546377868 XMNQMGUYFQZHSQ-UHFFFAOYSA-N 433.472 4.312 5 20 IIBD Cc1cc(Cc2noc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)n2)ccc1[N+](=O)[O-] 547263833 QOXYAERALMDIPG-INIZCTEOSA-N 430.873 4.186 5 20 IIBD C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](c1cncc(Br)c1)C1CC1 551812845 OBKUWFFGRLUDLB-CWTRNNRKSA-N 433.306 4.210 5 20 IIBD Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c1 553714439 LLPLPOMUEODAGG-UHFFFAOYSA-N 439.541 4.244 5 20 IIBD C[C@@H]1CN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)CCCO1 556065803 XUMHDQAFLKALHQ-KUHUBIRLSA-N 448.317 4.148 5 20 IIBD Cc1c([N+](=O)[O-])cn(Cc2cc(F)c(C(F)(F)F)cc2F)c(=O)c1Br 557788511 CIPPQVREZLUEOI-UHFFFAOYSA-N 427.123 4.173 5 20 IIBD C[C@@H](NC(=O)NCCc1c[nH]c2cccc(Br)c12)c1cccc([N+](=O)[O-])c1 558601497 HVMDFUSMYBUMPY-GFCCVEGCSA-N 431.290 4.442 5 20 IIBD Cc1ccc([C@]2(C)CCN(c3nnc(-c4ccc([N+](=O)[O-])cc4)n3C[C@H]3CCOC3)C2)cc1 559172040 AZXFCWZJFIHPBY-KBMIEXCESA-N 447.539 4.366 5 20 IIBD C[S@](=O)Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1 561452480 VTMRIMHCHISGNM-HKBQPEDESA-N 437.521 4.015 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCc1ccc(O)c(Br)c1 565787223 CVBJSFOKQAPTTI-UHFFFAOYSA-N 444.079 4.064 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2c2nc(-c3cc(OC4CCC4)ccn3)no2)ccc1[N+](=O)[O-] 567962666 UYSRYDSKQBNHFI-HXUWFJFHSA-N 449.467 4.257 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N[C@@H](c1ccc(F)cc1)c1cccs1 570032729 JANKJVCFKHGJJQ-IBGZPJMESA-N 425.445 4.261 5 20 IIBD C[C@H](C(=O)NCc1ccc(Cl)cc1I)c1cccc([N+](=O)[O-])c1 575416380 ROUJHYLPTAEDNO-JTQLQIEISA-N 444.656 4.273 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](c1cccc(F)c1)C1CCCC1 579633263 CPIUOGOZFGJDHD-FQEVSTJZSA-N 447.894 4.094 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 581849419 QLXILKMXOOEKEE-LJQANCHMSA-N 449.385 4.048 5 20 IIBD O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)c1cc([N+](=O)[O-])cc2c1OCCO2 582215494 CHQFXECPFVYATK-UHFFFAOYSA-N 448.300 4.281 5 20 IIBD CC(C)[C@](C)(Cc1ccc(Cl)cc1)NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 583460131 NJLLLOFUIPGZRS-FQEVSTJZSA-N 438.933 4.039 5 20 IIBD CC(=O)c1cc(Br)cc(Cl)c1OC[C@@H](O)COc1cccc([N+](=O)[O-])c1 584066934 SUGMKHCYHLRHFY-ZDUSSCGKSA-N 444.665 4.032 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ncc(-c3ccc(Cl)cc3)s2)c([N+](=O)[O-])c1 589596731 HJVRVZOXDGZXFE-UHFFFAOYSA-N 425.875 4.181 5 20 IIBD COCCN(C(=O)[C@H](C)Oc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603461152 AHQQQXHVUJWWHB-HNNXBMFYSA-N 427.482 4.165 5 20 IIBD CCN(Cc1ccc(OC)cc1)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 604078181 REHJVEJHTAKBIK-UHFFFAOYSA-N 440.422 4.266 5 20 IIBD COCCN(C(=O)[C@H](C)c1c(C)noc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 604547312 FEHVXSOLDJYKCP-GFCCVEGCSA-N 430.486 4.106 5 20 IIBD CC[C@@H](C)N(C)CCNc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] 608909234 CQPWDXJYVLTFIW-QGZVFWFLSA-N 434.562 4.155 5 20 IIBD CC(C)c1ccc(OC2CCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)CC2)cc1 608938476 DOMFQGOQZCBLMR-UHFFFAOYSA-N 426.469 4.173 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCCS(=O)(=O)c3ccccc3)c([N+](=O)[O-])c2)cc1 608974629 RKNILZFRSONZNY-UHFFFAOYSA-N 439.493 4.041 5 20 IIBD Cn1cc(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 609021201 GFCBGDWMTKYXJH-UHFFFAOYSA-N 440.872 4.420 5 20 IIBD Cc1c(NC(=O)[C@@H](C)N2CCC(c3nc(-c4ccccc4)no3)CC2)cccc1[N+](=O)[O-] 609146108 ASBFWEFWLWVBBO-MRXNPFEDSA-N 435.484 4.160 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2NC(=O)C[C@H]2C=CCC2)c1C 609322957 OHOFVZTUEPZOIA-INIZCTEOSA-N 429.498 4.307 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OCC3CCOCC3)cc2)cc1OC 609908690 PVIBJMCUOMIMAW-UHFFFAOYSA-N 430.457 4.060 5 20 IIBD CCCN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@H](c1ccc(F)cc1)c1cccnc1 610232955 DYIBBGKCYKNTKB-JOCHJYFZSA-N 437.427 4.499 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 610668258 UGEDVHJHVPMJML-UWVGGRQHSA-N 449.145 4.099 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CC(c3nc4ccccc4[nH]3)C2)cc1[N+](=O)[O-])c1ccccn1 610705218 VJJIKTODMYOTQP-OAHLLOKOSA-N 442.479 4.279 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CC[C@H](Oc2cccc(F)c2)C1 672955283 YOXCMMAGBFYCCY-KRWDZBQOSA-N 438.405 4.392 5 20 IIBD CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 725746917 JBUAHBPHRBLMIS-MRXNPFEDSA-N 446.529 4.190 5 20 IIBD COc1ccccc1[C@@H](C)CC(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 728663880 OKJKBYGQVGHUIZ-LBPRGKRZSA-N 440.374 4.298 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 731528027 SISLBAJDKAYAOY-VHSXEESVSA-N 429.231 4.463 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 731829978 AGTKTHDSALAMNW-OAQYLSRUSA-N 440.887 4.020 5 20 IIBD CC(C)(C)c1csc(C2CCN(C(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)n1 733954136 LAFVJERTUQCTDE-UHFFFAOYSA-N 427.530 4.105 5 20 IIBD Cc1cc(Cl)c(N)c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 734900687 XHROERXULDKOEZ-SECBINFHSA-N 445.781 4.342 5 20 IIBD CC(C)CNC(=O)C1CCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 735368905 UYTSICFBVBIOFZ-UHFFFAOYSA-N 440.500 4.403 5 20 IIBD Cc1cccc(NC(=O)COC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c1 736012298 OGQVGTIERUZRNU-UHFFFAOYSA-N 449.250 4.191 5 20 IIBD CCCNC(=O)Nc1cccc(OS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 742292861 JGUBTIMQDRIZOL-UHFFFAOYSA-N 448.284 4.201 5 20 IIBD COC(=O)[C@H](OC(=O)CSc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl 744462104 XUPVHNZHEBMTPC-MRXNPFEDSA-N 430.265 4.451 5 20 IIBD C[C@@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCCCC2)cc1 745074112 PJYPLBMLUMMQKQ-QGZVFWFLSA-N 439.512 4.433 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1CSc1nc(CN2CCOCC2)nc2ccccc12 746388965 KKIAFCUVYVACIY-UHFFFAOYSA-N 430.917 4.316 5 20 IIBD CC[C@@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)c1ccc(NC(C)=O)cc1 748864276 LUVWHTJKMOYVHY-QGZVFWFLSA-N 449.257 4.134 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)cccc1[N+](=O)[O-] 748908250 OWYKQRDXYISBGG-RCBQFDQVSA-N 447.285 4.340 5 20 IIBD COc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cc1NC(C)=O 749410245 KSXKODHCEAWCIV-UHFFFAOYSA-N 442.653 4.230 5 20 IIBD COc1ccc(CCN(Cc2ccsc2)Cn2nc(C)c([N+](=O)[O-])c2C)cc1OC 749966636 NABSHPQQZNAZOI-UHFFFAOYSA-N 430.530 4.189 5 20 IIBD C[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)N(C)Cc1ccccc1 750879445 TVBLPZXKOZLUSO-LBPRGKRZSA-N 440.725 4.261 5 20 IIBD Cc1nc(-c2ccccc2)oc1C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 750946908 GLGBBVQAVKLXJU-UHFFFAOYSA-N 449.341 4.373 5 20 IIBD CCOC(=O)c1oc2ccccc2c1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] 750995279 CEYLHQTXMACGHU-UHFFFAOYSA-N 447.241 4.210 5 20 IIBD CC(C)[C@H](OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)C(=O)N1CCCC[C@H]1C 751690219 HLZGKDNYZWNJEF-BZNIZROVSA-N 445.285 4.079 5 20 IIBD O=C(OCc1ccc(OC2CCOCC2)nc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 752529077 DDMLPSUUGWOXPF-UHFFFAOYSA-N 441.465 4.028 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)c1c(F)ccc([N+](=O)[O-])c1F)c1cccc2ccccc12 752560235 VZUKQSYLZAYMKS-QWHCGFSZSA-N 428.391 4.449 5 20 IIBD Cc1c(Br)cc(C(=O)N[C@@H](C)c2ccc(N3CCOC3=O)cc2)cc1[N+](=O)[O-] 753045360 AJUKLGOINSCJPW-LBPRGKRZSA-N 448.273 4.113 5 20 IIBD Cc1c(C(=O)NCC[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 753292507 FCBGAZMQTQUXDA-HNAYVOBHSA-N 440.500 4.150 5 20 IIBD O=C(N[C@@H]1CCOc2c1ccc(Cl)c2Cl)c1cc(O)nc2ccc([N+](=O)[O-])cc12 754477173 XLACHHLBXAIPSL-OAHLLOKOSA-N 434.235 4.409 5 20 IIBD CCN(CC)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1ccccc1 754639511 JHYUVWZGEGGKPV-QGZVFWFLSA-N 438.297 4.309 5 20 IIBD COc1cc(C(=O)Nc2ccc(O)cc2SC)c([N+](=O)[O-])cc1OCc1cscn1 754747840 ZBUHSLOXHSZTFI-UHFFFAOYSA-N 447.494 4.319 5 20 IIBD CC(C)NC(=O)Nc1ccccc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754964820 FEQVHNPJJIGJMQ-UHFFFAOYSA-N 439.241 4.279 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@@H](C)c1cc(C)ccc1F 764712758 GQNPPPATTMBQPW-IFXJQAMLSA-N 434.489 4.198 5 20 IIBD Cc1ncc2c(n1)CCC[C@@H]2Nc1ccc([N+](=O)[O-])c(N[C@H]2CCCc3nc(C)ncc32)n1 764835345 QHBBFXXEDYGNJP-PMACEKPBSA-N 446.515 4.166 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 765620504 WNIHTCKYZMATCI-UHFFFAOYSA-N 442.821 4.320 5 20 IIBD O=C(COC(=O)c1ccc(C(F)(F)F)nc1Cl)Nc1ccc(Cl)c([N+](=O)[O-])c1 766138483 PZSSEVQLOQTRJI-UHFFFAOYSA-N 438.145 4.111 5 20 IIBD C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)COC(=O)c1ccc([N+](=O)[O-])c2cccnc12 766230147 OAMLLHYTFRTMGV-ZDUSSCGKSA-N 427.844 4.173 5 20 IIBD O=C(COC(=O)Cc1ccc(F)cc1Cl)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 768074491 WXVCRVHITDSXRF-UHFFFAOYSA-N 434.729 4.131 5 20 IIBD C[C@@H]1Oc2ccc(C(=O)C3CCN(Cc4ccc(Cl)c([N+](=O)[O-])c4)CC3)cc2NC1=O 768541800 LTVPEUPONYIYEJ-ZDUSSCGKSA-N 443.887 4.063 5 20 IIBD CC(=O)N(c1ccc(C)c(C)c1)c1nc(COC(=O)c2cc(O)cc([N+](=O)[O-])c2)cs1 769047989 LSGJEFFEHZNBGU-UHFFFAOYSA-N 441.465 4.415 5 20 IIBD Cc1ccc([C@](O)(Cc2noc([C@@H](C)c3ccc([N+](=O)[O-])cc3F)n2)C(F)(F)F)o1 770905713 WLISIGWDOFIDOD-DYZYQPBXSA-N 429.326 4.163 5 20 IIBD COc1ccccc1[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)OC(C)C 771530777 LGXSDZXLKNBVHZ-QFIPXVFZSA-N 427.501 4.100 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2nnc(S)n2CC)CC1 777392326 AFKRVMVGWSBREF-UHFFFAOYSA-N 449.602 4.407 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2SC(C)C)cc1[N+](=O)[O-] 777644179 JNDAHTYUQDBKSM-UHFFFAOYSA-N 425.488 4.074 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC(C)C)cc2Cl)cc1[N+](=O)[O-] 780417722 XDIOLJFUWJDGAG-UHFFFAOYSA-N 443.865 4.015 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1OC 782424662 BDXNIKMLUMCEQP-UHFFFAOYSA-N 429.307 4.181 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)N(C)C(c2ccccc2)c2ccccc2)c1 783185262 NHTKCJXNYNKASP-UHFFFAOYSA-N 434.448 4.008 5 20 IIBD COc1c([N+](=O)[O-])cc(NCc2ccccc2-n2ccnc2)c([N+](=O)[O-])c1Br 785837411 OULFWORXZOFPSQ-UHFFFAOYSA-N 448.233 4.072 5 20 IIBD Cc1cc(-n2cc(COC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)nn2)ccc1F 786763820 UUSJPMQREGACDG-UHFFFAOYSA-N 428.423 4.067 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCO[C@H](c2cccc(OC(F)F)c2)C1 790906323 XOKYFTMRTFQOHJ-KRWDZBQOSA-N 444.793 4.131 5 20 IIBD CC(=O)Nc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])c(N(C)C)cc3F)n2)cc1 791197319 PRXROWQKHZRXKY-UHFFFAOYSA-N 443.460 4.134 5 20 IIBD COCC[C@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1ccc(Cl)c(Cl)c1 791244356 JDSNJVNIAJLMAT-KRWDZBQOSA-N 437.283 4.145 5 20 IIBD CCN(C)C(=O)c1cccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)c1 805445356 RLVSRHVIIJZWEU-UHFFFAOYSA-N 440.681 4.355 5 20 IIBD O=C(COC(=O)c1ccnc(-c2ccc(Cl)cc2)n1)Nc1ccc(Cl)c([N+](=O)[O-])c1 805658534 HKODFQZVQKJZLL-UHFFFAOYSA-N 447.234 4.154 5 20 IIBD CN(C[C@H]1CCCO[C@H]1c1ccccc1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F 809812918 LYKADCDNXLKZRN-KUHUBIRLSA-N 442.896 4.176 5 20 IIBD CC(C)C[C@@H](NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1cccs1 810355067 QOHKNOCTWOGXEZ-CYBMUJFWSA-N 440.319 4.261 5 20 IIBD COCCn1c(-c2cccc3cccnc23)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 812168362 POJONVGPFDJAHD-UHFFFAOYSA-N 444.495 4.217 5 20 IIBD COCC[S@@](=O)Cc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 813006476 IWGVGROMQBGWFL-HHHXNRCGSA-N 431.297 4.049 5 20 IIBD CCOC(=O)[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccc(OC)c(F)c1 813185545 FYEGAZIYRDNXPZ-HNNXBMFYSA-N 445.230 4.084 5 20 IIBD COc1c(C(=O)N2CCC[C@@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cccc1[N+](=O)[O-] 814426973 BQAXCDNFNCEMTM-SJORKVTESA-N 447.532 4.103 5 20 IIBD Cc1c(NC(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2O)cccc1-c1ncco1 816797845 UYFWZEVUTSYHRL-UHFFFAOYSA-N 439.815 4.355 5 20 IIBD COc1cc(CNc2ccc([C@@H](O)C(F)(F)F)cc2)c([N+](=O)[O-])cc1OCC(F)F 864044340 XOUNTTSSYFRNLU-QGZVFWFLSA-N 436.333 4.455 5 20 IIBD CN(Cc1c(Cl)cccc1Cl)C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 914501463 JJGJBCPILPSRMK-NSHDSACASA-N 440.258 4.052 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)[C@H](C)Sc1cc(Cl)ccc1Cl 917444047 KYWFEGQDOZJSGE-JTQLQIEISA-N 449.337 4.196 5 20 IIBD O=C(COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H](Cc1ccccc1)c1ccccc1 917657187 XABNVKZLUMZEHY-IGVGMEOHSA-N 430.460 4.251 5 20 IIBD O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 918734926 BXYZVODUGQZCGH-NXEZZACHSA-N 425.329 4.054 5 20 IIBD C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)COC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 918991645 YOJHVFJQFBOPKZ-NSHDSACASA-N 434.420 4.464 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1F)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 919251593 HCENWFKJFOQNNQ-CYBMUJFWSA-N 444.415 4.350 5 20 IIBD C[C@H](OC(=O)COc1ccc(C(F)(F)F)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 919395095 CUEJOEAFUDOXTA-JTQLQIEISA-N 446.765 4.216 5 20 IIBD Cc1cc(C(=O)OCc2csc(CC(=O)Nc3ccccc3C)n2)cc([N+](=O)[O-])c1 920901092 OQNRQKBMFFUDNW-UHFFFAOYSA-N 425.466 4.206 5 20 IIBD O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 1318810427 WWMAYUDHJOUGPZ-OAHLLOKOSA-N 448.306 4.296 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)cc1 1322613542 IKBFXDUTWMVINJ-MGPUTAFESA-N 446.525 4.322 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ccc(Br)o1 1324316477 MQTPYINGACRIIO-UHFFFAOYSA-N 439.209 4.378 5 20 IIBD O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc2nnc(C(F)F)n2c1 1347459801 HOTJVDWVRMPEHX-UHFFFAOYSA-N 431.380 4.056 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccc(C2(NC(=O)C3(F)CC3)CCC2)cc1 1791523392 PRGJZKMZEVEEHE-UHFFFAOYSA-N 443.500 4.323 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1sccc1Cl)c1cccc(F)c1[N+](=O)[O-] 1798974640 ZXMYGJJJOXBIHL-ZSBIGDGJSA-N 437.880 4.014 5 20 IIBD CCC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)CCC1 1800711294 GTFQCYIJQLLBOG-BJWYYQGGSA-N 433.936 4.389 5 20 IIBD Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccccc2[N+](=O)[O-])c1F 1804338415 NZTUOSWYGNRMJJ-UNGCYLFBSA-N 437.471 4.008 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)[nH]n1)c1ccc2occc2c1 1818706166 GSWLQDTWXKAYJD-QGZVFWFLSA-N 448.439 4.012 5 20 IIBD C[C@H](OC(=O)c1ccccc1CSC1=NCCS1)C(=O)Nc1ccc([N+](=O)[O-])cc1 9556485 BFOLLTPONGMYKM-ZDUSSCGKSA-N 445.522 4.115 5 20 IIBD Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NCCNc3ccc([N+](=O)[O-])cc3)c12 14529150 MBBYLMQOGYVLLG-UHFFFAOYSA-N 435.415 4.087 5 20 IIBD COc1ccc(CN(C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)C2CC2)cc1 15034955 MJERYWZTEFGROC-UHFFFAOYSA-N 434.496 4.270 5 20 IIBD C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 15592470 NUUQTZISYBZMTR-GASCZTMLSA-N 429.448 4.155 5 20 IIBD CC(C)CCSc1ccc(C(=O)OCc2cc(=O)n3ccccc3n2)cc1[N+](=O)[O-] 15753096 VESMGYGFIZHORX-UHFFFAOYSA-N 427.482 4.098 5 20 IIBD C[C@H](OC(=O)[C@H]1COc2ccc(Cl)cc2C1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 16796663 GVFVZFPKLOUKKW-CMPLNLGQSA-N 439.251 4.023 5 20 IIBD CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 18747414 LKGZZVGHELVFJA-VBKZILBWSA-N 448.435 4.213 5 20 IIBD CCc1nc2ccc(C(=O)O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2nc1CC 22058409 MWVWYMXJDAUOPJ-AWEZNQCLSA-N 436.468 4.155 5 20 IIBD Cc1c(C(=O)Nc2ccc(SCc3cccnc3)cc2)nnn1-c1cccc([N+](=O)[O-])c1 24496370 GRBSAJSBUJZYKI-UHFFFAOYSA-N 446.492 4.424 5 20 IIBD COc1cccc([C@H](CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)N2CCCC2)c1 25182303 NZUUOIHIKDKWGU-KKSFZXQISA-N 429.542 4.037 5 20 IIBD COc1ccc(-n2c(SCC(=O)c3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)cc1 28380836 CFXDSNUSAOHDCR-UHFFFAOYSA-N 447.472 4.278 5 20 IIBD CCN(C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C1CCCCC1 30476358 PDJSTXXTXMWNRE-UHFFFAOYSA-N 431.514 4.190 5 20 IIBD Cc1cc(CN2CCSCC2)ccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 72058233 HMONQGKSXLWSEH-UHFFFAOYSA-N 440.569 4.305 5 20 IIBD Cc1occc1C(=O)Nc1cc(NC(=O)CCNc2ccccc2[N+](=O)[O-])ccc1F 107549478 KIXFNHKFQPCTDY-UHFFFAOYSA-N 426.404 4.328 5 20 IIBD COc1ccc(CC[C@H]2CCCCN2C(=O)CNc2ccccc2[N+](=O)[O-])cc1OC 110282263 AZTKPUDXGACUIP-GOSISDBHSA-N 427.501 4.038 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NCc2cccc(NC(=O)C3CCCC3)c2)c1[N+](=O)[O-] 301091812 NDYNBOIZKULXHV-UHFFFAOYSA-N 428.445 4.045 5 20 IIBD COCc1cc([N+](=O)[O-])ccc1N1CCC(C(=O)Nc2ccccc2Br)CC1 301456778 WZYAARYSVUZMAU-UHFFFAOYSA-N 448.317 4.359 5 20 IIBD Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] 301935418 PIBMJSYAWXMSOF-LBPRGKRZSA-N 446.982 4.216 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC(OCCc2ccccc2)CC1 302939207 AEJNVNSCQLRNPB-UHFFFAOYSA-N 440.543 4.405 5 20 IIBD C[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(OCc2ccccn2)c1 303064965 MVMHKCLDEKMPGQ-QGZVFWFLSA-N 443.463 4.246 5 20 IIBD CC(C)[C@H]1CCCN(C(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 303580839 OVORSZPIZSLOFW-KRWDZBQOSA-N 445.541 4.294 5 20 IIBD CCCN([C@H](C)CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 409900214 GJWXIGJLESBJAD-CQSZACIVSA-N 439.921 4.066 5 20 IIBD O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 428532250 BLTCGOALHJUUTE-QFIPXVFZSA-N 446.507 4.026 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)NC2(c3cccc(Cl)c3)CCCC2)cc1OC 429727364 WUQXNMXGOYMJAK-UHFFFAOYSA-N 448.903 4.481 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CN[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 429800827 SUYPLLCPOOZREB-QFIPXVFZSA-N 444.484 4.025 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cc1SC 430626719 MBMKAFJZDHWPQQ-RDJZCZTQSA-N 429.542 4.108 5 20 IIBD Cc1c(C(=O)N(C)c2nc3cc(Cl)ccc3s2)nnn1-c1cccc([N+](=O)[O-])c1 435979057 PXTUCMMOPFDDEY-UHFFFAOYSA-N 428.861 4.024 5 20 IIBD COc1cc(N[C@@H]2CCCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])C2)cc(OC)c1 436401889 YLEGINKTOVVBOM-GFCCVEGCSA-N 426.395 4.107 5 20 IIBD COC(=O)c1ccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c(OC(F)F)c1 437773217 LJYXGUFUIGCHDX-UHFFFAOYSA-N 435.383 4.179 5 20 IIBD C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H](OC1CCOCC1)c1ccccc1 437825844 VBRZEJBBBBUFFX-JTSKRJEESA-N 426.513 4.314 5 20 IIBD CC(C)c1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2N(C)C2CCN(C)CC2)cc1[N+](=O)[O-] 438943313 OCNUWDPHNCQBCU-YADHBBJMSA-N 430.593 4.127 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] 439252187 XOWJFZZEUURIPX-JTQLQIEISA-N 449.273 4.326 5 20 IIBD CO[C@H](C)c1nc(CN2CCCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)cs1 439601432 ASOAFWFGCZIXIA-OAHLLOKOSA-N 427.530 4.019 5 20 IIBD COc1cccc([C@H]2CN(C(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)CCO2)c1 444254851 VOIXLFQYQZNICB-OAQYLSRUSA-N 432.451 4.043 5 20 IIBD O=C(N[C@H]1CCCN(c2ccccc2F)C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444284803 FUHLFAWZRAATAZ-HNNXBMFYSA-N 433.458 4.358 5 20 IIBD CC(C)(C)Oc1ccc(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cn1 444310918 RBBYMNSDYUSQCG-UHFFFAOYSA-N 437.446 4.462 5 20 IIBD CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl 444536594 RCKPVQCFLNABMI-UHFFFAOYSA-N 447.919 4.443 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CCOc1ccccc1I 447318973 VPTRFGSSQLUBBU-UHFFFAOYSA-N 440.237 4.224 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC(Nc2cccc(Br)c2)CC1 447691359 QMOPQVOIHGBTES-UHFFFAOYSA-N 432.318 4.393 5 20 IIBD CN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cccs2)Cc2ccccc21 461499815 UNCNCERSXFXZQT-UHFFFAOYSA-N 446.536 4.420 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C 462415290 GNIDWDRCAGNTDU-JXFKEZNVSA-N 426.904 4.456 5 20 IIBD COc1ccc(-c2ccc(CNc3ccc(C(=O)N4CCOCC4)cc3[N+](=O)[O-])cc2)cc1 462913009 YBGYQFWXOBUQBT-UHFFFAOYSA-N 447.491 4.355 5 20 IIBD O=C(Nc1ccccc1S(=O)(=O)C1CCCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 464568253 SQFCOTUDEAAVDN-UHFFFAOYSA-N 429.498 4.138 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)cc1 465504963 IKZYLZKNCVEUOH-UHFFFAOYSA-N 441.239 4.123 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)cc1 466514338 LAXIWPYFERNKEF-KRWDZBQOSA-N 443.294 4.163 5 20 IIBD COc1cccc(C2(F)CCN(C(=O)CSCc3ccc(OC)c([N+](=O)[O-])c3)CC2)c1 466558836 IVCAXKLUQWTGAJ-UHFFFAOYSA-N 448.516 4.333 5 20 IIBD NC(=O)CC1CCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC1 466844840 ZHRGJQMNMCOSFC-UHFFFAOYSA-N 433.917 4.127 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)ccc1OCC1CCC1 467044699 HZVKMGSXWCGQOM-ZDUSSCGKSA-N 431.876 4.184 5 20 IIBD Cc1sc(S(=O)(=O)N2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)cc1[N+](=O)[O-] 467053750 MCPSNDUOLLDRTH-HNNXBMFYSA-N 448.570 4.464 5 20 IIBD O=C(c1ccc(S(=O)(=O)c2ccccc2)s1)N1CCCc2ccc([N+](=O)[O-])cc21 467535266 IQLKVYQRYVTDBL-UHFFFAOYSA-N 428.491 4.082 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1cc(F)c(OC(F)F)cc1F 468204354 HOJJPLGDKYRIJN-UHFFFAOYSA-N 437.143 4.418 5 20 IIBD CCC[C@@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(F)cc1F 468372958 ODXUEUQGWIECEW-QGZVFWFLSA-N 433.411 4.219 5 20 IIBD CCC(O)(CC)CCNC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 473056249 ZRDRRQUYMMEFFX-UHFFFAOYSA-N 430.526 4.219 5 20 IIBD Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 475919820 XXHFQCJTRTWLFQ-OAHLLOKOSA-N 432.546 4.153 5 20 IIBD CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 477239309 TVXKFCIATYGNBN-UHFFFAOYSA-N 443.523 4.016 5 20 IIBD COc1ccc([C@H](NCc2ccc([N+](=O)[O-])cc2F)c2cccc(S(C)(=O)=O)c2)cc1 478257838 SAMUUAZQGOGPFA-QFIPXVFZSA-N 444.484 4.025 5 20 IIBD CC(C)C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 479051149 CRSONEFGLHETMV-AQKFKSFVSA-N 426.517 4.486 5 20 IIBD COc1ccccc1-c1nc(C2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)no1 481407023 RDXZQKXYVOFNHI-UHFFFAOYSA-N 442.859 4.327 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1ccc(-c2cccc(Br)c2)cn1 481862448 DHJNRGSMYOYXCW-UHFFFAOYSA-N 448.298 4.361 5 20 IIBD COC(=O)c1cc(NC(=O)Nc2ccc(CN(C(C)=O)C(C)C)cc2)c(C)c([N+](=O)[O-])c1 486889095 YNFUKFMASKPKDL-UHFFFAOYSA-N 442.472 4.091 5 20 IIBD CCn1c(SCC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)nnc1-c1ccccc1C 487991075 VCBWOUUDSVGXBA-INIZCTEOSA-N 439.541 4.460 5 20 IIBD C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 488976622 XSWQRJPAMIAVPH-LLVKDONJSA-N 445.829 4.128 5 20 IIBD CCN(CC)C(=O)COc1cccc(NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 493235186 HLADVNFBKXRAMY-INIZCTEOSA-N 428.489 4.033 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1[N+](=O)[O-] 493985956 QQZCWFMBYFCMTN-JTQLQIEISA-N 429.782 4.391 5 20 IIBD COc1cccc(Cc2nnc(NC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)s2)c1 494100510 YAKODXPBORXICX-UHFFFAOYSA-N 439.497 4.242 5 20 IIBD O=C1[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCCN1c1ccccc1Cl 494542634 KTQYMPOYQNKRRJ-IBGZPJMESA-N 442.903 4.118 5 20 IIBD COC(=O)[C@H]1C[C@@H](OC)CCN1Cc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 497200427 SBMORSWYMPDEGG-FXAWDEMLSA-N 430.526 4.207 5 20 IIBD O=C(Nc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1)c1ccc(F)cc1 498279786 RRUTXGCXZHDOBG-UHFFFAOYSA-N 444.422 4.464 5 20 IIBD Cc1cccc([C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c2ccccn2)c1 498598314 LBKXRNZTABZXSZ-XMMPIXPASA-N 430.508 4.420 5 20 IIBD CCOCCOc1ccc(Br)cc1NC(=O)c1cc([N+](=O)[O-])ccc1OC 499002442 QTXMSPTXHCWCOT-UHFFFAOYSA-N 439.262 4.034 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCCc3ccc(F)cc3Cl)cc2)c(C)c1[N+](=O)[O-] 499479547 DJZUSYKHTBROKG-UHFFFAOYSA-N 430.867 4.221 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2N2CCSCC2)c(Cl)c1 500338056 BDOHMEPNGKUOIM-UHFFFAOYSA-N 448.353 4.256 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1[C@H]1NC(=O)CN1Cc1ccc(OCc2ccccc2)cc1 500383714 YUOSLDYTXXVCLF-VWLOTQADSA-N 447.491 4.203 5 20 IIBD COc1cc(C(=O)Nc2cc(C)c3c[nH]nc3c2)c([N+](=O)[O-])cc1OCc1cscn1 501729129 NBERZMBOOIDGHY-UHFFFAOYSA-N 439.453 4.076 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 502478928 WZYZRDCEUNDRKX-LBPRGKRZSA-N 441.340 4.126 5 20 IIBD CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1C 504810453 FOHHYZJLGXZQCZ-UHFFFAOYSA-N 439.299 4.380 5 20 IIBD C[C@H]1CCCCN1Cc1ccccc1CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 507347441 FXNZSJMYRUODCC-SFHVURJKSA-N 447.539 4.300 5 20 IIBD CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)C1 508802197 PZPWOILIKXDNRV-BBRMVZONSA-N 430.530 4.250 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2cc(Cl)ccc2Br)CC1 509799618 PNUZUBNSXCXUSV-UHFFFAOYSA-N 444.738 4.030 5 20 IIBD CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 510635210 PVEDTUXOOFKFQZ-UHFFFAOYSA-N 428.189 4.155 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1 515631112 VWAGFWIVGKRHCD-UHFFFAOYSA-N 443.456 4.024 5 20 IIBD CCCOc1cc(NC(=O)c2ccc(N3CCOCC3)cc2)c([N+](=O)[O-])cc1OCCC 520080680 KYQFWXSPMVKDHW-UHFFFAOYSA-N 443.500 4.261 5 20 IIBD O=C(NC1(c2noc(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)CCCC1)c1ccccc1 521113674 SBYYJJKQMOWAKX-UHFFFAOYSA-N 447.495 4.444 5 20 IIBD C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)CNc2ccccc2[N+](=O)[O-])cc1Cl 521597614 IEWQKOKQPFNHLE-AWEZNQCLSA-N 430.892 4.313 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)Nc2c(C)c(C)nn2-c2ccc(Br)cc2)c1 522879347 HOBGYDICGUYOHS-UHFFFAOYSA-N 445.273 4.421 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC=C(c2c[nH]c3ncccc23)CC1 524191540 AUWBIKIZQWTQKK-UHFFFAOYSA-N 426.860 4.209 5 20 IIBD COc1ccc(CNC(=O)NCc2cccc(Cn3cnc4ccccc43)c2)cc1[N+](=O)[O-] 525236808 UAIWWIUDMCGXQU-UHFFFAOYSA-N 445.479 4.001 5 20 IIBD CCO[C@@H]1C[C@@H](N(C)C(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C12CCCCC2 525528701 BAZKQOVRNJUQEQ-QZTJIDSGSA-N 442.459 4.405 5 20 IIBD O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CCCc2cc(F)c(F)cc21 535746731 QYVWXWVHHZKDLV-UHFFFAOYSA-N 444.175 4.071 5 20 IIBD COc1ccc(CSCC(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] 537143508 FWQAMEZRENKZQD-JXFKEZNVSA-N 436.917 4.136 5 20 IIBD Cc1ccc(Cc2cnc(NS(=O)(=O)CCc3ccccc3[N+](=O)[O-])s2)cc1F 539598682 VVVKJAGWYGKDQZ-UHFFFAOYSA-N 435.502 4.074 5 20 IIBD Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCCc2c(NC(=O)CC3CCCCC3)cccc21 546792169 ITKIYKDLCWLXCW-UHFFFAOYSA-N 437.500 4.074 5 20 IIBD Cc1cc(C2CCN(C(=O)c3ccc(N4C[C@@H](C)C[C@H](C)C4)c([N+](=O)[O-])c3)CC2)n[nH]1 546860283 NYGLGBYQVKKVAU-HOTGVXAUSA-N 425.533 4.128 5 20 IIBD Cc1cc(N2CCOCC2)ccc1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 555817058 DWNFLQSPOKKGEF-UHFFFAOYSA-N 434.290 4.063 5 20 IIBD COc1cccc(C2(F)CCN(C(=O)NCCc3c[nH]c4ccc([N+](=O)[O-])cc34)CC2)c1 562272365 DMVSVBHQTRMXLH-UHFFFAOYSA-N 440.475 4.298 5 20 IIBD Cc1cccnc1OC1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 573605633 VAOVGXMZPFSROK-UHFFFAOYSA-N 449.457 4.347 5 20 IIBD Cn1nccc1-c1ccccc1OCc1cc(I)cc([N+](=O)[O-])c1 583410147 XZPFJFOYONWGHE-UHFFFAOYSA-N 435.221 4.179 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1[C@@H]1CCCO1 586833849 BTARLTFIUFMQQN-PKTZIBPZSA-N 446.507 4.160 5 20 IIBD CN1CCCN(C(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)CC1 598916086 OUYHWFVFLPESTK-OBGWFSINSA-N 436.537 4.299 5 20 IIBD CN(C(=O)CSCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CCCCC1 601909108 PNPVFFWOVKHGIG-UHFFFAOYSA-N 448.570 4.181 5 20 IIBD CCN(CC(F)(F)F)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 603560293 KXGNQUMWACYVOA-UHFFFAOYSA-N 427.345 4.241 5 20 IIBD COc1cc([C@@H](C)Nc2nc3sccn3c2[N+](=O)[O-])ccc1OCc1ccncc1 603869126 SFMYKEBZQQQDMB-CYBMUJFWSA-N 425.470 4.460 5 20 IIBD O=C(N[C@@H]1CCN2CCC[C@H]2C1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 603919634 SXOCEDWWWKJBKM-MSOLQXFVSA-N 428.920 4.217 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 603976567 GPMXFRRTWWFVMQ-UHFFFAOYSA-N 435.477 4.362 5 20 IIBD CCCCc1oc2ccccc2c1CN(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 604163096 BQWUEQGFDFFFIX-UHFFFAOYSA-N 439.468 4.289 5 20 IIBD O=c1c(Cl)c(NCCc2ccc(C(F)(F)F)cc2)cnn1-c1ccc([N+](=O)[O-])cc1 608830767 ZQFGCFBRCFTRLI-UHFFFAOYSA-N 438.793 4.468 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@@H]3C(C)(C)C)cc2)cc1[N+](=O)[O-] 609178899 SGEIIJRWPZPNRU-HXUWFJFHSA-N 445.541 4.355 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2n[nH]c(-c3ccccc3F)n2)cc1[N+](=O)[O-])c1ccccn1 609477101 OGQGFPSGVHVVHZ-CYBMUJFWSA-N 447.430 4.339 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c([N+](=O)[O-])c1 609560454 YNVPXVGCOSHZIO-GOSISDBHSA-N 429.480 4.425 5 20 IIBD C[C@@]1(CNC(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)CCOC1 609816382 JUTCTBACLGZVDD-FQEVSTJZSA-N 437.855 4.405 5 20 IIBD O=C(NCc1ccc(F)c(F)c1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 609854492 HCJAQTSWQCBFGZ-UHFFFAOYSA-N 427.194 4.296 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)ccc1[N+](=O)[O-] 609909312 CBEHKMNRKSHEAQ-GTCCEBARSA-N 439.487 4.052 5 20 IIBD COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 610159771 KQRRGTNALKGILK-AWEZNQCLSA-N 446.887 4.123 5 20 IIBD CCOc1cccc2cc([C@@H](C)N[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)oc12 610250242 REWATHQLEGGOJK-ZIAGYGMSSA-N 427.457 4.426 5 20 IIBD CN(C)C(=O)c1cccc(CCNCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)c1 610271181 GLKJNYUTISECDC-UHFFFAOYSA-N 432.524 4.397 5 20 IIBD CC(C)(C)NS(=O)(=O)Cc1cccc(NCc2cc([N+](=O)[O-])ccc2OC(F)F)c1 610910528 QGFAMMUACQQNLV-UHFFFAOYSA-N 443.472 4.026 5 20 IIBD O=C(NCC[C@@H]1C(=O)Nc2ccccc21)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611203454 AAUINLIABKNECW-KRWDZBQOSA-N 425.510 4.485 5 20 IIBD CNC(=O)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cc1 611203769 WBGVQUCQWIWPGB-UHFFFAOYSA-N 443.525 4.397 5 20 IIBD COC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(C(F)(F)F)c1 611396595 AUCJWXIYBLDGGF-INIZCTEOSA-N 431.798 4.183 5 20 IIBD O=C(Nc1cc(Br)c(F)cc1Cl)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 618759036 ZUXBBEFFNWTCND-UHFFFAOYSA-N 446.664 4.215 5 20 IIBD CCOc1ccc([C@H]2CCCN2C(=O)c2cc(OC)c(OCCOC)cc2[N+](=O)[O-])cc1 619564996 ZECLCPUXRQEBIU-LJQANCHMSA-N 444.484 4.005 5 20 IIBD Cc1nn(CCC(=O)O[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)c(C)c1[N+](=O)[O-] 726647515 MSMGWISUXDZMAP-KRWDZBQOSA-N 436.468 4.355 5 20 IIBD COc1ccc(CC(=O)OCc2c(C)nn(Cc3ccccc3)c2Cl)cc1[N+](=O)[O-] 727884057 UDDGPDPMYRFLOX-UHFFFAOYSA-N 429.860 4.096 5 20 IIBD Cc1ccc(C(C)C)c(OCC(=O)OC[C@@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])c1 730704217 OKBZZUXWNAVHLF-SFHVURJKSA-N 440.496 4.253 5 20 IIBD O=C(NCCCc1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1Br 731176499 CJGKNLMOSWJPKB-UHFFFAOYSA-N 442.107 4.482 5 20 IIBD CCS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2cc([N+](=O)[O-])ccc2OC(C)C)c1 731522238 NZYOZNZHCAHBEC-UHFFFAOYSA-N 441.889 4.186 5 20 IIBD Cc1csc(Nc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2)n1 731880748 RLDSJHFEHXSIHM-UHFFFAOYSA-N 439.497 4.192 5 20 IIBD O=C(c1cc(F)ccc1[N+](=O)[O-])N(CCCn1ccnc1)Cc1c(F)cccc1Cl 732115792 KVCWRKVHZMHTTE-UHFFFAOYSA-N 434.830 4.456 5 20 IIBD C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cc([N+](=O)[O-])ccc1I 734357521 WDBHVOJIUNTLKW-TZMCWYRMSA-N 436.249 4.218 5 20 IIBD O=C(OCc1coc(-c2ccc(F)c(F)c2)n1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 735355667 RMHDSCIPCSOGIH-UHFFFAOYSA-N 427.319 4.139 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 736161365 YMHPNIMKRCAPPL-UHFFFAOYSA-N 443.884 4.025 5 20 IIBD O=C(/C(=C/c1ccc(F)cc1)c1cccs1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 736173941 LQCVRDWDYKIIED-MIQLPHMESA-N 438.484 4.444 5 20 IIBD CNc1ccc(C(=O)OC[C@@H]2CCC(=O)N(C)[C@@H]2c2cccc(Cl)c2)cc1[N+](=O)[O-] 740599602 FBLCMBWYENWVNS-MGPUTAFESA-N 431.876 4.056 5 20 IIBD COc1ccc(Cl)cc1C[C@@H]1CCCN(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 741245080 HXMDPHCECBKZLA-AWEZNQCLSA-N 431.876 4.077 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)OCc1nnc(-c2ccc(Br)s2)o1 747844697 VVHIQBOEQHPVAS-BAQGIRSFSA-N 436.243 4.225 5 20 IIBD C[C@H](OC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)c1ccccc1-c1ccccc1 748037842 KZPTYIWNQSIPOV-INIZCTEOSA-N 432.432 4.292 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C)c1 749503411 ZMIHWZPGWYMNEQ-INIZCTEOSA-N 425.551 4.328 5 20 IIBD COCc1c(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)oc2ccccc12 750664609 XMHBKMUIKKLAEO-UHFFFAOYSA-N 445.269 4.448 5 20 IIBD C[C@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])[C@@H](O)c1c(Cl)cccc1Cl 751961424 KHAWOEWSLLWZIB-BBATYDOGSA-N 449.294 4.400 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)c1 752977736 HFXOWHBRGMSUTC-UHFFFAOYSA-N 446.312 4.184 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@@H](C3(C)OCCO3)C2)cc1 753333706 MPZVXMPZSUXJHW-MRXNPFEDSA-N 442.468 4.011 5 20 IIBD Cc1oc2cc(OC[C@@H](O)COc3cccc([N+](=O)[O-])c3)ccc2c(=O)c1-c1ccccc1 755310415 MHBDKYLYODJTRH-IBGZPJMESA-N 447.443 4.495 5 20 IIBD C[C@H]1CC(OC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 756032716 PVFZVJLUKHVEKW-STQMWFEESA-N 430.423 4.329 5 20 IIBD CC(C)(C)OC(=O)Nc1ccccc1CC(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 756463423 XUYVBUGLZAKUBU-UHFFFAOYSA-N 444.440 4.094 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cncc(-c2ccc(C)cc2)c1 758091382 PHGSREJGMMRTPC-OAHLLOKOSA-N 435.436 4.158 5 20 IIBD CCCCCS(=O)(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 758991446 CVBAKCVSGPHFRM-UHFFFAOYSA-N 426.878 4.399 5 20 IIBD Cn1cc(CCNC(=O)c2cccc([N+](=O)[O-])c2Br)c2ccc(Cl)cc21 759317144 MWHVQLJILNSNSP-UHFFFAOYSA-N 436.693 4.475 5 20 IIBD C[C@H](OC(=O)[C@H](C)CC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 759852135 LPVUYGCTHHJLFS-NEPJUHHUSA-N 436.823 4.167 5 20 IIBD CC(C)(c1ccccc1)c1nnc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 760320929 NNCGCOZMXSMBBV-UHFFFAOYSA-N 438.918 4.226 5 20 IIBD C[C@@H](OC(=O)c1cc(Cl)c(N)c(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 761450034 JIYBVGMQYQZKLS-SSDOTTSWSA-N 432.647 4.321 5 20 IIBD Cc1oc(-c2ccccc2)nc1Cc1noc(-c2ccn(-c3cccc([N+](=O)[O-])c3)n2)n1 761503346 XYACHRDAPSFNRG-UHFFFAOYSA-N 428.408 4.385 5 20 IIBD C[C@@H]1[C@@H](C(F)(F)F)OC(=O)N1c1ncccc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 764308239 ZLHDIDTWAJRNDA-OQPBUACISA-N 444.753 4.172 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NOCc1ccc(C(F)(F)F)cc1 764999658 PZNHBQJIYFVOLE-UHFFFAOYSA-N 430.404 4.214 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 765496499 PPQORVGEQPMBBA-FUHWJXTLSA-N 433.549 4.315 5 20 IIBD CC(C)(C)[C@H](NC(=O)COC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1cccs1 766221195 NMJPERFIAMLPQX-LJQANCHMSA-N 427.482 4.265 5 20 IIBD CCCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1 770327026 UKRYPXRKDGENCG-UHFFFAOYSA-N 434.290 4.482 5 20 IIBD CN1C(=O)CC[C@@H](C(=O)Oc2cc(F)cc([N+](=O)[O-])c2)[C@@H]1c1ccc(C(F)(F)F)cc1 771485609 AUQWLWLQANMQRB-AEFFLSMTSA-N 440.349 4.268 5 20 IIBD Cc1cc(S(=O)(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)cc([N+](=O)[O-])c1F 771782887 XXPWFWWBAPMFQS-UHFFFAOYSA-N 441.484 4.458 5 20 IIBD COCc1c(C(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)cnn1-c1ccccc1 773467580 RSRSBJLVTSMQNF-UHFFFAOYSA-N 446.257 4.046 5 20 IIBD COCCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1cccc(Br)n1 776364544 WUBMIPVBMOUGIQ-UHFFFAOYSA-N 436.287 4.260 5 20 IIBD CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccc([N+](=O)[O-])cc2F)NC(=O)N1 777942904 AEKUSKNRCNFFAR-MRXNPFEDSA-N 438.337 4.019 5 20 IIBD Cc1nc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc1Cc1ccccc1 781624361 LTGQBYNCBBILFE-UHFFFAOYSA-N 426.454 4.430 5 20 IIBD Cc1nnc([C@H](C)OC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)s1 782426517 WJRVMXVVBRMSGP-JTQLQIEISA-N 444.435 4.294 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)CC2 782452259 HKRBAQMCYZJZDK-ZOBUZTSGSA-N 435.546 4.076 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)cc([N+](=O)[O-])c1 784521502 OFIJUCPILOJNIN-AWEZNQCLSA-N 436.386 4.420 5 20 IIBD Cc1ccccc1NC(=O)COC(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 787452215 HPANRULXHKVOSL-IYBDPMFKSA-N 425.485 4.181 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2noc(-c3ccccc3F)c2C)cc1[N+](=O)[O-] 788558309 BYVMOPTZGVAVGF-UHFFFAOYSA-N 425.825 4.460 5 20 IIBD CC(C)(C)OC(=O)NCCCOC1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 788847784 UVOMNGZCDXOZCG-UHFFFAOYSA-N 430.505 4.043 5 20 IIBD COc1ccc(CNc2nnc(SCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])s2)cc1 789903157 GRKYJLARGKBISP-UHFFFAOYSA-N 433.471 4.268 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])OCC(=O)N(Cc1ccco1)c1ccccc1 790741071 DEOGOMYOPLIXFI-UHFFFAOYSA-N 446.818 4.299 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])OCc1cn2cc(Br)ccc2n1 790743310 WDSNDPJILULGAD-UHFFFAOYSA-N 442.628 4.083 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)OCc2ncc(C(C)(C)C)s2)ccc1[N+](=O)[O-] 790881663 CWFGLIXALVRLAW-INIZCTEOSA-N 431.514 4.005 5 20 IIBD Cc1ccc(-c2cccnc2)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 794600645 FQVHWSYYZVRYDN-UHFFFAOYSA-N 442.453 4.291 5 20 IIBD CCOC(=O)c1cc(C(=O)O[C@H](c2nc3ccccc3o2)C(F)(F)F)cc([N+](=O)[O-])c1 798242152 XBOIGKVVUZYQTG-OAHLLOKOSA-N 438.314 4.373 5 20 IIBD COCCn1c(Cc2cccc3ccccc23)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 802425851 ZGWSWPHOHJTOQF-UHFFFAOYSA-N 431.496 4.213 5 20 IIBD Cc1ccc(-c2ncc[nH]2)cc1NC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] 803286141 NPHLTEDFLZBEGS-UHFFFAOYSA-N 444.289 4.131 5 20 IIBD C[C@@H](Cn1ccc2ccccc21)C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 803794153 NYWDLYATIXVJGU-UONOGXRCSA-N 429.860 4.409 5 20 IIBD Cc1c(C(=O)N(C)Cc2ccc(OCC(F)(F)F)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 804173772 CFVLGOPZGZGXMZ-UHFFFAOYSA-N 427.335 4.025 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(Cl)c(SC(=O)N(C)C)c1 808116789 ASFRNAUDDLABBI-UHFFFAOYSA-N 429.907 4.131 5 20 IIBD C[C@H](NC1(CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCOCC1)c1ccccc1 809921611 HUALHTUQCKTWGI-HNNXBMFYSA-N 432.908 4.270 5 20 IIBD O=C(NC[C@H]1CCCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C1)C(F)(F)F 811856361 JCUPOYXMKAWOGA-MRVPVSSYSA-N 433.736 4.162 5 20 IIBD CC1CCN(C(=O)C2CCN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC2)CC1 813416115 KJKSQJGKCMSOSG-UHFFFAOYSA-N 428.316 4.012 5 20 IIBD CC(=O)c1cccc(NC(=O)[C@@H](OC(=O)CSc2ccccc2[N+](=O)[O-])C(C)C)c1 877869186 APYJGNHZAVHIOT-FQEVSTJZSA-N 430.482 4.096 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Oc1ccc(-c2nnco2)cc1 904611993 AWCZSEGGOXJAAX-UHFFFAOYSA-N 425.344 4.361 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cc2cc(Br)ccc2o1 915241935 KRDUAFOVXJSEOC-UHFFFAOYSA-N 434.198 4.327 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@@H](C)C(c1ccccc1)c1ccccc1 915662579 BAGNIWPICCJEOV-KRWDZBQOSA-N 448.475 4.132 5 20 IIBD COc1cc(C(C)=O)ccc1OCCCC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 917069293 NVEIQFNWEGMECW-UHFFFAOYSA-N 434.876 4.277 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2SC[C@H]2CC2(Cl)Cl)ccc1O 917756231 IUUSIEFDGNZTRZ-SNVBAGLBSA-N 449.337 4.387 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)CCc1ccccc1F)c1cccc([N+](=O)[O-])c1 918637430 KRZVQGKJLDBAKQ-LJQANCHMSA-N 428.460 4.295 5 20 IIBD C[C@@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 919214517 TYPSAOGFWUMCIQ-SECBINFHSA-N 433.760 4.087 5 20 IIBD O=C(Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-])[C@H]1CCCN1C(=O)Cc1ccccc1 920329221 CKOPHNFFGKXPOY-OAQYLSRUSA-N 430.460 4.401 5 20 IIBD COc1cc(COC(=O)c2cc3ccccc3c(OC)n2)c([N+](=O)[O-])cc1OC(F)F 920738158 AHTNKQHFQLXKHI-UHFFFAOYSA-N 434.351 4.119 5 20 IIBD CC1CCN(c2ccc(C(=O)NCc3cccnc3N3CCCCC3)cc2[N+](=O)[O-])CC1 921032986 IYIZFKDVJQFBLH-UHFFFAOYSA-N 437.544 4.146 5 20 IIBD C[C@@H](OC(=O)c1csc(Cc2ccc(Cl)cc2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 1115846058 WZGVSBSFQXAHNS-GFCCVEGCSA-N 445.884 4.480 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c(C)n1CC1CC1 1115984617 VBLRAVINZWULKT-UHFFFAOYSA-N 439.390 4.237 5 20 IIBD Cc1ccc(C(=O)N[C@@H](CC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c2ccccc2)cc1 1116163172 AXCHVGGHVWTAKR-QHCPKHFHSA-N 429.476 4.307 5 20 IIBD COc1ccc(CCc2nnc([C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)o2)cc1 1117242559 CUDCEOSMHXGGDB-HXUWFJFHSA-N 436.468 4.057 5 20 IIBD Cc1c(I)cccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 1254396661 MXCYJSRDAHZIKN-UHFFFAOYSA-N 428.251 4.239 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])c1cccc(Cl)c1 1337648947 SJLJCCZUOKDLFP-CQSZACIVSA-N 438.889 4.013 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2CCCc3cnn(C(C)C)c32)CC1 1338004598 MMOZPWIIEURJGZ-HXUWFJFHSA-N 425.533 4.416 5 20 IIBD COc1ccc([C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])c2ccc(OC)cc2OC)cc1 1338823516 ZZAVIRNAFOAEJF-DEOSSOPVSA-N 436.464 4.069 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(CSc3ccc(Cl)cc3)o2)c1N1CCOCC1 1348892214 MKGACWBLDDFUQQ-UHFFFAOYSA-N 432.889 4.427 5 20 IIBD COC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])CCC2)cc1 1786443462 WPVHGPSWOBILFT-YJJOXIQCSA-N 437.496 4.025 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@@H]4C4CC4)CCC3)cc2)ncc1[N+](=O)[O-] 1788765437 PRLYOPUOITYQGS-MOPGFXCFSA-N 434.496 4.092 5 20 IIBD COc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@]4(C)C[C@H]4C)CCC3)cc2)ccc1[N+](=O)[O-] 1792165788 OITWZGSPQUJFBC-IQMFZBJNSA-N 437.496 4.397 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(C2(NC(=O)[C@@H]3CCCOC3)CCC2)cc1 1792319193 JURGGHCNOFIXBY-BNOPAZPUSA-N 449.507 4.169 5 20 IIBD Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3ccc([N+](=O)[O-])o3)n[nH]2)c1 1814968417 ZHUXIIWWTZTGRG-LHUXKHBRSA-N 449.467 4.239 5 20 IIBD CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3ccc(Cl)cc3[N+](=O)[O-])[nH]n2)CC1 1816657161 JKXAGSXBMNXORY-MRXNPFEDSA-N 445.907 4.006 5 20 IIBD C/C=C(\C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(F)ccc([N+](=O)[O-])c2C)[nH]n1 1821892546 IUBZUFMQFLLPNV-XAANGBPESA-N 429.452 4.038 5 20 IIBD CCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])[nH]n1 1821939191 GHGIGIGUERYTRV-MRXNPFEDSA-N 431.468 4.199 5 20 IIBD CCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cc([N+](=O)[O-])ccc2F)CC1 1831385613 WYNRKTNPPRDQJZ-NRFANRHFSA-N 447.551 4.332 5 20 IIBD CC[C@H](C)CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 1832694863 WESAYDRTYMOZPB-FXAWDEMLSA-N 445.560 4.273 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Sc2nc(C3CC3)nn2-c2ccccc2)c([N+](=O)[O-])c1 10203948 RWJORKFLYCKRTA-CYBMUJFWSA-N 439.497 4.181 5 20 IIBD C[C@H](OC(=O)CSc1ccccc1[N+](=O)[O-])C(=O)N(c1nccs1)C1CCCCC1 11837708 FKOZHPKBUMFPQA-AWEZNQCLSA-N 449.554 4.441 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1ccc(Br)cc1)c1ccccc1[N+](=O)[O-] 12860689 WHMZXJXJRLRJKD-INIZCTEOSA-N 435.274 4.170 5 20 IIBD CCCc1nnc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)s1 18840711 VQBCOALGTIOOJW-UHFFFAOYSA-N 443.451 4.273 5 20 IIBD Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCc2nnsc2Cl)n1 22650008 QUBKYTVSOQLNGJ-UHFFFAOYSA-N 428.904 4.373 5 20 IIBD O=C(CCc1ccc(F)cc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 23558597 HOTOOGGNFANAHN-UHFFFAOYSA-N 425.382 4.034 5 20 IIBD C[C@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)Nc1cccc(Cl)c1 24761791 PEYZKDHRHQHYIM-AWEZNQCLSA-N 431.876 4.035 5 20 IIBD O=C(COC(=O)CCSc1ccc(F)cc1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 24774010 DNWUBBQFXDSIRV-UHFFFAOYSA-N 446.378 4.417 5 20 IIBD CN(C)[C@@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1cccc(F)c1 27590902 MGIIXHOACNBXOG-QHCPKHFHSA-N 436.487 4.379 5 20 IIBD O=[N+]([O-])c1ccccc1OCCSc1nnc(CN2CCCCC2)n1-c1ccccc1 59407126 KNOUNEUIDJBPFG-UHFFFAOYSA-N 439.541 4.333 5 20 IIBD CCOc1cc(NC(=O)COc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])cc1OCC 61141615 RITSIZAYCFDCJJ-UHFFFAOYSA-N 428.363 4.429 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NCCOc2cccc(Cl)c2Cl)c([N+](=O)[O-])c1 64113568 DMQALOGULRWQIZ-UHFFFAOYSA-N 435.267 4.357 5 20 IIBD COCCCOc1ccccc1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 65124776 RHNRLAWWHJEZPF-UHFFFAOYSA-N 438.484 4.124 5 20 IIBD CN1CCC(CCNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 110409386 BCHWGTBYIHGBMS-UHFFFAOYSA-N 430.936 4.322 5 20 IIBD Cc1cc(Sc2nnc(CN3CCCCC3)n2-c2ccc(F)cc2)ncc1[N+](=O)[O-] 301424072 GKVSLZRTURWXBY-UHFFFAOYSA-N 428.493 4.155 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)cc1[N+](=O)[O-] 301946467 SAOMTOQUAXTFDJ-UHFFFAOYSA-N 438.553 4.460 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCC(N3CCc4ccccc43)CC2)cc1[N+](=O)[O-] 410268626 BXDPPJVJRQVAGL-UHFFFAOYSA-N 444.329 4.333 5 20 IIBD CN(C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[C@H]1CCCC[C@H]1S(C)(=O)=O 426863150 CXLDASWQUFCFNT-VQTJNVASSA-N 448.566 4.174 5 20 IIBD COC(=O)c1cccc(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])c1Br 427200244 YUDVKASWUJLOHJ-UHFFFAOYSA-N 425.260 4.118 5 20 IIBD O=C(c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)N1CCn2cncc2C1 427506961 VABBLQVONLSDGT-UHFFFAOYSA-N 437.506 4.208 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@H]2c3ccccc3CC[C@@H]2C)cc(Br)cc1[N+](=O)[O-] 430347780 YAGBBABILGEVAO-BBATYDOGSA-N 446.301 4.044 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2ccc3nc(C4CC4)oc3c2)cc1[N+](=O)[O-] 430466882 WJUVRVACKJMEBA-UHFFFAOYSA-N 436.453 4.145 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC(c2c[nH]c3ncccc23)CC1 431161926 GOXCKRKWDHTJBB-UHFFFAOYSA-N 429.274 4.253 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 432027370 XCJYUPYWJRAAHD-UHFFFAOYSA-N 444.557 4.002 5 20 IIBD COc1cc(OC)cc([C@@H](N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c2nccn2C)c1 433138449 XWGFILJUACXAIR-FGZHOGPDSA-N 436.512 4.447 5 20 IIBD O=C(Nc1ccc(Cl)c(CN2CCOCC2)c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 436033337 AQOJEKMHELDEPR-UHFFFAOYSA-N 447.922 4.419 5 20 IIBD C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCc2ccccc21 436099963 MPXOCNGVRXXXBL-AWEZNQCLSA-N 433.458 4.141 5 20 IIBD COc1cc(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])cc(Br)c1OC 436386295 HAPHEOLDTCEOHZ-UHFFFAOYSA-N 436.184 4.400 5 20 IIBD C[C@H]1CN(Cc2ccccc2NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@@H](C)O1 437296671 YIOOFXJDGFQHDI-OKILXGFUSA-N 437.418 4.475 5 20 IIBD CC(C)(CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)Cc1ccc(Cl)cc1 438027108 OPLJFVOCWVRUCB-UHFFFAOYSA-N 443.931 4.192 5 20 IIBD CCO[C@@H]1C[C@H](NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])[C@@]12CCCO2 441280835 DFBGASWMISOFMA-VWPQPMDRSA-N 428.510 4.202 5 20 IIBD CC(C)c1ncc(CN(C)C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cn1 441382169 JWTDDWNWWHPUBJ-INIZCTEOSA-N 434.500 4.349 5 20 IIBD CCN(Cc1cccc(-c2ccncc2)c1)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 442544969 VIZUFOBYFROCLT-UHFFFAOYSA-N 438.871 4.297 5 20 IIBD Cc1ccc(-c2n[nH]c(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)n2)cc1 444001388 BZFSXYDCWDCQIH-UHFFFAOYSA-N 431.402 4.305 5 20 IIBD Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444637132 IBRPQWYGHADWIC-UHFFFAOYSA-N 429.408 4.111 5 20 IIBD CC(C)Oc1ccc(CC[C@@H](C)NC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 445259028 BREUFNYQEMMZBT-OAHLLOKOSA-N 425.489 4.079 5 20 IIBD Cc1nc(COc2ccc(Cl)cc2)sc1-c1nc(-c2c([N+](=O)[O-])ncn2C)no1 445574335 ZVSYGXZZHPOXML-UHFFFAOYSA-N 432.849 4.043 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(-c3cnc(OCC(F)(F)F)cn3)no2)cc(C(F)(F)F)c1 445790174 MZDXGPYXTLCRLK-UHFFFAOYSA-N 435.240 4.062 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)NC1(c2cccc(C(F)(F)F)c2)CCC1 446905321 GSNQGBFOGMEODX-UHFFFAOYSA-N 433.390 4.369 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@@H](C)c3ccc(Br)cc3)CC2)c1 460575319 HGADIYJQXOLLLV-HNNXBMFYSA-N 432.318 4.185 5 20 IIBD C[C@H]1CCCc2ccccc2[C@H]1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 462580718 PJVDLQCTTGIOLE-XOBRGWDASA-N 437.525 4.318 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](COc1ccccc1)c1ccccc1 464053682 SNYBHGBVTITOQL-HXUWFJFHSA-N 433.464 4.087 5 20 IIBD C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464781366 YSKIGICJSLASGO-OXQOHEQNSA-N 429.542 4.252 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)COc1ccc([N+](=O)[O-])c2ccccc12 464802255 PNRLJIDKZIUXDK-UHFFFAOYSA-N 444.491 4.305 5 20 IIBD CCN(CCCO)C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 465977330 YYVDIZPLUWVPNQ-UHFFFAOYSA-N 425.844 4.094 5 20 IIBD C[C@H](O)C[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 468664495 ABEKIJOSSKPZRZ-XJKSGUPXSA-N 436.917 4.011 5 20 IIBD O=C(O)c1cc(S(=O)(=O)Nc2c(F)cccc2Oc2ccccc2)ccc1[N+](=O)[O-] 471113797 QFCYJDOCLULZEW-UHFFFAOYSA-N 432.385 4.025 5 20 IIBD COc1cc(C(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)cc([N+](=O)[O-])c1OC 472282321 ZJCFNKJQGKSQIW-LJQANCHMSA-N 427.844 4.180 5 20 IIBD COc1cc(-c2nnc(Sc3nc4ccccc4cc3[N+](=O)[O-])o2)cc(OC)c1OC 473528690 UKOMGWBDTVAKOA-UHFFFAOYSA-N 440.437 4.370 5 20 IIBD COc1ccc(OC)c(CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C(C)(C)C)c1 474156063 XURFDXBZPGWKLA-UHFFFAOYSA-N 426.473 4.463 5 20 IIBD Cc1nc(NC(=O)c2ccc(NC(=O)CSc3cccs3)cc2)ccc1[N+](=O)[O-] 475310849 QDXICYOKTYIONC-UHFFFAOYSA-N 428.495 4.343 5 20 IIBD O=C1COCC(=O)N1c1cccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1 475488759 WTTRSCLZDFSVSF-UHFFFAOYSA-N 441.827 4.010 5 20 IIBD COc1c(C(=O)Nc2c(C)c(C)nn2-c2ccc(Br)cc2)cccc1[N+](=O)[O-] 476095703 OCGMEZXAGVXEJZ-UHFFFAOYSA-N 445.273 4.421 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@H]2CC[C@H](c3cccc(F)c3)C2)ccc1[N+](=O)[O-] 478221768 CQPHESPVKZEGCR-RBDMOPTHSA-N 439.487 4.099 5 20 IIBD O=C(NCc1ccc(COCc2ccccc2)cc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 479642810 QVNZQUCHFRBSCI-UHFFFAOYSA-N 442.475 4.427 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1Cc2ccccc2C2(CC2)C1 482184382 QNUIGACLEAAGIG-HXUWFJFHSA-N 441.915 4.077 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(C(=O)NCc2ccco2)c1 483178061 LJCCZCVNSWUVRH-UHFFFAOYSA-N 439.493 4.160 5 20 IIBD Cc1c(Br)cccc1-c1noc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)n1 485858440 XLNRDMMQCZMEGY-LLVKDONJSA-N 431.246 4.207 5 20 IIBD Cc1nc(-c2ccc(Br)cc2)c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1C 486429499 CAVKMJRVIHMAKN-UHFFFAOYSA-N 431.246 4.024 5 20 IIBD COc1ccccc1Oc1ccc(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 486643397 CWPHNYHAVRZMJM-UHFFFAOYSA-N 437.456 4.461 5 20 IIBD COC(=O)c1cc(NC(=O)Nc2ccc(OCC3CCOCC3)cc2)c(C)c([N+](=O)[O-])c1 486900199 IMMMFQZWFNYNGY-UHFFFAOYSA-N 443.456 4.139 5 20 IIBD Cc1ccc(Sc2ncccc2C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1C 487051730 ZLLFQWBWGARYAW-UHFFFAOYSA-N 437.525 4.432 5 20 IIBD O=C(Nc1ncc(Cc2ccc(F)c(F)c2)s1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 487323381 RBEHYTGDBUJAMW-UHFFFAOYSA-N 441.419 4.358 5 20 IIBD Cc1cc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)ccc1C(=O)NC(C)C 488288976 UYUCLIVQKFHYEP-UHFFFAOYSA-N 438.406 4.382 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N[C@H]2CCCN(c3ccccc3Cl)C2=O)cc1[N+](=O)[O-] 489552982 PCJVGTUXAQVWNX-YOEHRIQHSA-N 430.892 4.112 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2cc3ccccc3o2)o1 489682868 RTFORMILYMZPSF-UHFFFAOYSA-N 426.410 4.130 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 490423466 UBJVPXLVPAWZFJ-DYVFJYSZSA-N 444.431 4.073 5 20 IIBD CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C(F)(F)F)c1 491088593 BEOGNUVWWFZDBY-UHFFFAOYSA-N 437.783 4.026 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 497781437 GKPBPSLLHXNFTH-UHFFFAOYSA-N 441.484 4.126 5 20 IIBD Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 498444822 ZWZHKKGIMRERLT-AWEZNQCLSA-N 431.876 4.199 5 20 IIBD Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1 499655868 GSABVOIMUSQIPV-UHFFFAOYSA-N 436.855 4.172 5 20 IIBD Cc1nn(-c2ccc(C(=O)NCc3ccccc3[N+](=O)[O-])cc2)c(C)c1Br 500763106 UYVRGHNYWKCBFV-UHFFFAOYSA-N 429.274 4.090 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NCc2ccc(Oc3ccccc3)nc2)c([N+](=O)[O-])c1 503541483 JODKQRSWVYSUMJ-UHFFFAOYSA-N 429.436 4.359 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2/C=C\c2ccccc2)c(Br)c1 503845010 JTCYCZZEYPJPDN-WHLNPGIBSA-N 437.315 4.224 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(NS(=O)(=O)CC)c(C)c1 505787454 OAVLLPWFJYNXQC-UHFFFAOYSA-N 437.543 4.419 5 20 IIBD COc1ccc(C)cc1CCNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 506054860 DKBAUUILDMONHG-QGZVFWFLSA-N 434.496 4.452 5 20 IIBD O=C(Nc1cccc(Br)c1)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 507303045 IMEHTYYQVXNRAX-UHFFFAOYSA-N 432.318 4.251 5 20 IIBD CCOc1cc(CNC2[C@@H](C)CCC[C@@H]2C)ccc1OCCn1c([N+](=O)[O-])cnc1C 507946822 ATOBHXOKRUXUIC-IRXDYDNUSA-N 430.549 4.492 5 20 IIBD O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1ccc([N+](=O)[O-])cc1Cl 510563219 ZCRCVFOVSYTAQL-LLVKDONJSA-N 429.782 4.156 5 20 IIBD Cc1cc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)n(-c2ccc(C(F)(F)F)cn2)n1 510750859 IMHANJZGLKMNSP-LBPRGKRZSA-N 434.378 4.385 5 20 IIBD CCCCNC(=O)c1ccc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 510850417 DNKANOPEJZNJPQ-UHFFFAOYSA-N 436.415 4.048 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cccc3c2oc(=O)n3C)cc1 511159723 LQYIMDZKMBNIIP-UHFFFAOYSA-N 435.392 4.093 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 511854434 IATMGAZLWQRQLC-DLBZAZTESA-N 437.418 4.487 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1[N+](=O)[O-] 514570798 PGSMIXBQIFDRIC-FMKPAKJESA-N 430.423 4.463 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@@H](CCC(=O)O)C2)cc1 516170423 QVLJMIKLYFYNCK-HNNXBMFYSA-N 428.441 4.113 5 20 IIBD CCCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccccc1Br 518142018 BERKGZYRQDSJEP-ZDUSSCGKSA-N 434.290 4.296 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1 518952275 SGHOGSQYSFCRFL-HNNXBMFYSA-N 448.614 4.174 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1 521105358 LSFQINAOORBBPL-UHFFFAOYSA-N 443.412 4.352 5 20 IIBD CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 521552835 ZNRMVTVXOPWJQI-OLZOCXBDSA-N 435.933 4.432 5 20 IIBD COc1ccc(CNC(=O)N[C@H](c2ccccc2)c2nc3ccccc3n2C)cc1[N+](=O)[O-] 522435524 UYNBCYROAWZBNR-JOCHJYFZSA-N 445.479 4.079 5 20 IIBD COc1cc(C(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)c([N+](=O)[O-])cc1OC 522641784 AEHDRNDKIBYWIR-HKBQPEDESA-N 446.525 4.446 5 20 IIBD COc1cc(F)cc2sc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])nc12 524647349 UUCIRJIKVBFRLR-QMMMGPOBSA-N 425.825 4.412 5 20 IIBD CCN(CC)CCn1ccc2cc(NC(=O)c3cc(OC)c(OC)c([N+](=O)[O-])c3)ccc21 525027176 QOAWAXMYKVYQEN-UHFFFAOYSA-N 440.500 4.161 5 20 IIBD O=C(Cc1csc(Cc2ccccc2)n1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 525104709 CIHPRCIEEWMRBK-NRFANRHFSA-N 425.535 4.459 5 20 IIBD O=C(Nc1ccc(F)cc1)[C@H]1CCc2ccccc2N1C(=O)Cc1cccc([N+](=O)[O-])c1 525145528 MSKDOTCRWYEFCH-JOCHJYFZSA-N 433.439 4.263 5 20 IIBD Cc1ccc(NCCCNC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)c([N+](=O)[O-])c1 525319966 FODXNJLAQAXHLA-UHFFFAOYSA-N 442.360 4.232 5 20 IIBD Cc1cc(NC(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)n(-c2ccc([N+](=O)[O-])cc2)n1 525528809 FKLPPCNABGGJPB-UHFFFAOYSA-N 435.484 4.004 5 20 IIBD CN(C)C1CCN(CCNCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 530903872 NUYSCKAJHDTLSH-UHFFFAOYSA-N 432.952 4.156 5 20 IIBD CC1(C)CO[C@@H](c2ccccc2)CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br 532519287 LUHLOLOFFYNDAR-GOSISDBHSA-N 448.317 4.148 5 20 IIBD O=C(NCc1cccc(NC(=O)c2cccnc2)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 532617522 BWOJWCAOWKHGHN-UHFFFAOYSA-N 444.369 4.191 5 20 IIBD O=C(NC[C@@H]1CCCO1)c1cccc(CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)c1 534145987 GIBMKSUEUJGGFS-FQEVSTJZSA-N 432.480 4.178 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 535723868 XVLIZYLGQBISFU-UHFFFAOYSA-N 449.554 4.036 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 537433628 GZJPWUUJPQPQNH-UHFFFAOYSA-N 449.554 4.279 5 20 IIBD C[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(OCc2cccnc2)cc1 540328231 NDVVZGLEBIATJP-MRXNPFEDSA-N 431.452 4.470 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 540450513 UDPAHOMMHZADEM-UHFFFAOYSA-N 443.934 4.373 5 20 IIBD Cc1c(NC(=O)[C@@H](C)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)cccc1[N+](=O)[O-] 540863613 HTRNJHDNCDXCST-AEFFLSMTSA-N 440.548 4.276 5 20 IIBD O=C(CN1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl 541087486 UGSBHTDXOCMIMP-KRWDZBQOSA-N 443.809 4.279 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCC(Sc3ccc(Cl)cc3)CC2)cc1 543141269 UYLMXNWJIHMZMQ-UHFFFAOYSA-N 440.974 4.279 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NCCC[C@H]1CCCCO1 545509211 PIUWDJJMISUJEN-HSZRJFAPSA-N 448.523 4.456 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 550216462 KDPCQTSNELTULJ-MRXNPFEDSA-N 435.274 4.476 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] 551767980 IQSCALNPAIXKER-FXAWDEMLSA-N 443.475 4.006 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cnn(-c3ccccc3Br)c2)c1 554960920 CJKOCNHZVVMCLQ-UHFFFAOYSA-N 431.246 4.194 5 20 IIBD Cn1ccnc1[C@H](N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1ccc([N+](=O)[O-])cc1 556885047 KYKZMDIQNNOISR-FOIQADDNSA-N 429.883 4.079 5 20 IIBD Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 556960827 VZMYKMZCAFPVFX-UHFFFAOYSA-N 432.223 4.994 5 20 IIBD COC(=O)c1cccc(C(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)c1 568694194 YKYRLRBKNBKKRD-UHFFFAOYSA-N 432.392 4.079 5 20 IIBD COc1cc2c(c(OC)c1OC)CCN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CC2 569123957 ABCHBQKLPBACQP-UHFFFAOYSA-N 440.418 4.240 5 20 IIBD CCNc1ccc(C(=O)Nc2ccc(F)c(-c3nnc4n3CCCCC4)c2)cc1[N+](=O)[O-] 600814384 KAPVRUPQBKSUHU-UHFFFAOYSA-N 438.463 4.403 5 20 IIBD O=C(CN1C(=O)[C@H](c2cccs2)N(Cc2ccccc2)C1=O)c1cccc([N+](=O)[O-])c1 603677904 KUALJQUHXUUOAT-FQEVSTJZSA-N 435.461 4.045 5 20 IIBD COc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)c(C)c1 608904516 BUXKLWXYRFRONS-UHFFFAOYSA-N 433.464 4.461 5 20 IIBD CCOc1ccc(NC(=O)CNc2cc(Br)ccc2OCC)c([N+](=O)[O-])c1 609075424 BKYKFOBRUKZDQW-UHFFFAOYSA-N 438.278 4.205 5 20 IIBD Cc1ccc(C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c2ccccn2)cc1 609676298 PPNDUQXSGYRZCT-OAQYLSRUSA-N 425.510 4.177 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 609696214 OMRGGUJHOMIUBT-HZPDHXFCSA-N 431.920 4.357 5 20 IIBD CC(C)Oc1c(Cl)cccc1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 609816537 CTWZGECXFFIQBD-UHFFFAOYSA-N 433.848 4.362 5 20 IIBD CCc1nc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])nn1-c1c(Cl)cccc1Cl 609973466 SXSUXDBMKHCQIF-UHFFFAOYSA-N 432.267 4.248 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CC[C@@H]2[C@H]1[C@@H]2C(F)(F)F 610494519 BEGHUMOROYSYQO-CKLFPEKLSA-N 435.189 4.110 5 20 IIBD CCOc1cc(NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c([N+](=O)[O-])cc1OCC 619212811 XFYJDELWHBCBQV-LLVKDONJSA-N 431.470 4.077 5 20 IIBD O=C(COC(=O)/C=C/c1cccc(OC2CCCC2)c1)Nc1ccc(F)c([N+](=O)[O-])c1 727885453 IYKIEZQXRAFISO-DHZHZOJOSA-N 428.416 4.250 5 20 IIBD O=[N+]([O-])c1ccc(-c2cnn(CN3CCO[C@H](c4ccccc4Br)C3)c2)cc1 728901024 UYFOPFQLDQTYLE-FQEVSTJZSA-N 443.301 4.252 5 20 IIBD CC1CCN(c2ccc(C(=O)OCc3nc(-c4ccsc4)no3)cc2[N+](=O)[O-])CC1 728947891 FNDDKKQYPFZNGA-UHFFFAOYSA-N 428.470 4.300 5 20 IIBD CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)OCc1c(F)cccc1[N+](=O)[O-] 728994744 VSZOIXKXRDLENX-QHCPKHFHSA-N 438.455 4.314 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N2CCC[C@H]2C(C)(C)C)cc1 729402800 ZTDWJQGLPVKJII-FQEVSTJZSA-N 446.525 4.322 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 731054510 FSVBSFXZRCHWSV-RNODOKPDSA-N 436.867 4.127 5 20 IIBD Cc1c(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)nnn1-c1ccc(OC(C)C)cc1 731324234 FEQKKDAMMUHGGF-UHFFFAOYSA-N 443.891 4.197 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCc1ccc(Oc2ccccc2)nc1 732014215 OXDCVJHAQPQLEE-UHFFFAOYSA-N 435.408 4.391 5 20 IIBD C[C@@H](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)C(=O)c1ccccc1 732760601 FFXDGFPWJJFSRI-HNNXBMFYSA-N 449.429 4.171 5 20 IIBD CCOC(=O)C1=C(C)N([C@@H](C)CC)C(=O)N[C@@H]1c1csc(-c2cccc([N+](=O)[O-])c2)n1 733121470 NKAIRSLMBQTEIT-KPZWWZAWSA-N 444.513 4.420 5 20 IIBD O=[N+]([O-])c1cccc(N(Cc2cccnc2Cl)S(=O)(=O)c2ccc(F)c(F)c2)c1 733192841 RBJKPINSLJUXSJ-UHFFFAOYSA-N 439.827 4.317 5 20 IIBD Cc1ccc(C[C@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c2ccccn2)cc1 734499334 BEMXKRXXZDNZPA-SFHVURJKSA-N 431.901 4.214 5 20 IIBD O=[N+]([O-])c1ccc(Oc2cccc(NS(=O)(=O)c3cc(F)ccc3[N+](=O)[O-])c2)cc1 735267823 IDTWXFROLFDFFS-UHFFFAOYSA-N 433.373 4.235 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1cccc(NC(=O)CCn2ccnc2)c1 735820325 BKFPXLVSXOEHAY-UHFFFAOYSA-N 427.848 4.034 5 20 IIBD Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1NC(=O)NC(C)(C)C 741050875 OAAMTGLEVLSMLV-AWEZNQCLSA-N 442.472 4.007 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 742994890 IBUFVTBPXBCUFI-QFIPXVFZSA-N 436.489 4.296 5 20 IIBD COc1ccc([C@H]2[C@@H](COC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CCN2C)cc1 744150704 FUBMGFPPCOPJAX-KUHUBIRLSA-N 438.402 4.472 5 20 IIBD CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 745768076 SGIQDAQASUYDDM-UHFFFAOYSA-N 448.838 4.255 5 20 IIBD CC1(C)CC(=O)c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2O1 746642714 CURYNKRMOZGJDM-UHFFFAOYSA-N 445.371 4.125 5 20 IIBD CC(C)Oc1ccc(CC[C@H](C)NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 746790699 RBSMYMOLJIFMAN-AWEZNQCLSA-N 433.892 4.111 5 20 IIBD COc1ccc2nc(Cl)ccc2c1S(=O)(=O)Oc1cc([N+](=O)[O-])ccc1Cl 747280543 RQBKAAHIGGJIFG-UHFFFAOYSA-N 429.237 4.226 5 20 IIBD CC(=O)Nc1cccc([C@@H](C)NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)c1 750843077 IWUYHSUXBXLDQC-SECBINFHSA-N 440.681 4.460 5 20 IIBD CC(C)(C)OC(=O)NC[C@H](C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 751666699 LFRKVDUTLZPVFT-INIZCTEOSA-N 441.440 4.088 5 20 IIBD Cc1ccc([C@H](C)NC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccccc2)cc1[N+](=O)[O-] 752491278 NCMNRPIYIFOEOB-QFBILLFUSA-N 427.501 4.389 5 20 IIBD O=C(COC(=O)c1cc(-c2ccccn2)ccc1Cl)Nc1cc([N+](=O)[O-])ccc1F 755001243 WBHXUQILQZDKOU-UHFFFAOYSA-N 429.791 4.245 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)NC1CCN(Cc2ccccc2)CC1 755022887 VTCZQFNBFHMLON-UHFFFAOYSA-N 433.306 4.143 5 20 IIBD C[C@@H](OC(=O)c1cncc(-c2ccc(Cl)cc2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 758106940 FNXSIAQMKASQBZ-CYBMUJFWSA-N 425.828 4.494 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccc(Cl)cc1Cl 758113874 JLGGKPYXDOXEHV-VHSXEESVSA-N 429.231 4.463 5 20 IIBD COc1ccc(-c2nc(CC(=O)OCCc3ccccc3[N+](=O)[O-])cs2)cc1OC 762703981 AGQLRKLRIBCUQW-UHFFFAOYSA-N 428.466 4.064 5 20 IIBD C[C@@H](Nc1ccc(C(=O)OCCc2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-])c1ccccn1 762707676 YZDLVZXZJFTLKO-OAHLLOKOSA-N 436.424 4.471 5 20 IIBD O=C(COC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)Nc1ccc(OC(F)F)c(Cl)c1 762904991 OQKMIYBTDXQJHS-UHFFFAOYSA-N 439.758 4.126 5 20 IIBD O=C1NC2(CCN(C(=O)c3ccc([N+](=O)[O-])c(Sc4ccc(Cl)cc4)c3)CC2)CO1 767116366 GRIPIZIOIYOFSI-UHFFFAOYSA-N 447.900 4.114 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCO[C@H](c2ccccc2Br)C1 768708017 XMIMUNFPVFBPIU-INIZCTEOSA-N 425.666 4.224 5 20 IIBD Cc1ccc(N(C)C(=O)c2ccc([N+](=O)[O-])cc2)cc1N(C)C(=O)c1ccc([N+](=O)[O-])cc1 769737146 QGGOBRJGYGYTQZ-UHFFFAOYSA-N 448.435 4.365 5 20 IIBD C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 771730264 DXYUEXNEZVAQSE-UONOGXRCSA-N 446.529 4.188 5 20 IIBD COc1cc(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1OCC(C)C 773758572 YFGAREJAONEQSU-UHFFFAOYSA-N 427.413 4.045 5 20 IIBD COCCc1nc(C)c([C@@H](C)OC(=O)c2cc(Br)cc([N+](=O)[O-])c2)s1 773914526 LJTIDHLVVGZNDG-SNVBAGLBSA-N 429.292 4.229 5 20 IIBD O=C(O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1cnc(Cc2ccccc2F)s1 774175245 FDVYOMMXDULMEK-JKSUJKDBSA-N 430.461 4.318 5 20 IIBD CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 775495262 FZXCUNUSRCUQFK-UHFFFAOYSA-N 430.467 4.382 5 20 IIBD O=C(COC(=O)CCc1ccc2[nH]ccc2c1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 775953556 HMWMBMNIPJKVDW-UHFFFAOYSA-N 435.358 4.209 5 20 IIBD Cc1c(C(=O)N2CCC(c3ccc(N(C)C)cc3)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 775970218 CVKLXYAWVALBCP-UHFFFAOYSA-N 426.473 4.206 5 20 IIBD C[C@@H](NC(=O)CC1CCCCC1)C(=O)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776131917 BHBVIOIGUWSJMG-ZHRRBRCNSA-N 425.485 4.098 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CC[C@H](COC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 778868792 MIVSZPVFFABVPI-KOMQPUFPSA-N 431.489 4.245 5 20 IIBD C[C@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccc(OCC(F)(F)F)cc1 782528955 BBVXVEHYKJASTE-LBPRGKRZSA-N 429.370 4.354 5 20 IIBD COc1ccc(-c2noc([C@@H](C)OC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)n2)cc1 784723024 FHEJGEVLDLCPGS-GFCCVEGCSA-N 429.404 4.375 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1 785104027 XZFOLQJYBXRWTR-UHFFFAOYSA-N 432.427 4.057 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(-n2cnc3ccccc32)nc1 785663999 PWNBZJCJKGLPBE-UHFFFAOYSA-N 441.369 4.278 5 20 IIBD C[C@@H](OC(=O)c1cc(O)ccc1Cl)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 785869922 XOYXQCHRMFASIB-SNVBAGLBSA-N 447.856 4.261 5 20 IIBD Cc1nc(-c2cccs2)c(CC(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)s1 786595699 GBRQHDYAWAPKEG-UHFFFAOYSA-N 442.478 4.424 5 20 IIBD Cn1c(COC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)nnc1-c1ccc(F)cc1 789719305 OWCWKQOQKFZMDO-UHFFFAOYSA-N 439.428 4.010 5 20 IIBD CC1CCN(C(=O)c2ccccc2NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 790859934 IMMLKYKXUMBNIU-UHFFFAOYSA-N 433.867 4.441 5 20 IIBD CN(C)c1cc(F)c(C(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)cc1[N+](=O)[O-] 791345902 VADYXGSBKYPNQT-UHFFFAOYSA-N 448.454 4.255 5 20 IIBD C[C@H](N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Cl)cc2)no1 792181338 NSKVCYQWCOZQPR-OLZOCXBDSA-N 429.864 4.366 5 20 IIBD COC(=O)c1cc(NC(=O)[C@@H](C)Sc2nc3ccccc3s2)c(C)c([N+](=O)[O-])c1 792626867 FZWYOTFHIMSHLP-LLVKDONJSA-N 431.495 4.419 5 20 IIBD CC(C)(C(=O)OCc1csc(-c2ccc3c(c2)OCO3)n1)c1ccccc1[N+](=O)[O-] 796439093 FSNGSMPDAXDTRX-UHFFFAOYSA-N 426.450 4.468 5 20 IIBD CCOC(=O)CN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(C)cc1 798726965 AJWLBRMMWNHKRZ-UHFFFAOYSA-N 425.466 4.237 5 20 IIBD Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC(c2ccsc2)CC1 799805444 GBPCSGCTTJYLQR-UHFFFAOYSA-N 445.360 4.296 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(Cc1ccc(F)cc1)C1CCCCC1 800626545 FNEPWUQABIRUPI-UHFFFAOYSA-N 431.439 4.481 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 800913939 PTEKTZAEGABWKE-OAHLLOKOSA-N 430.313 4.034 5 20 IIBD COc1cc(CN(C)C(=O)c2cc([N+](=O)[O-])c(F)cc2N)ccc1OCc1ccccc1 801799179 UMKODVDIQINJHL-UHFFFAOYSA-N 439.443 4.176 5 20 IIBD Cc1cc(Br)c(C(=O)OCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1Cl 805602071 YDPKNUZFKVATRY-UHFFFAOYSA-N 441.665 4.139 5 20 IIBD O=C(NC1CCCCC1)OC[C@H]1CCCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 805829411 KIZUMPGAYYYWPK-LJQANCHMSA-N 443.504 4.058 5 20 IIBD CCOc1ccc(C(=O)O[C@H](C)c2ccc(SCC(=O)N(C)C)cc2)cc1[N+](=O)[O-] 809073056 ARGQBNNQRGEGEJ-CQSZACIVSA-N 432.498 4.092 5 20 IIBD C[C@@H](OC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccc(SCC(=O)N(C)C)cc1 809074546 PWVAOHIDMXOFBB-OAHLLOKOSA-N 441.509 4.034 5 20 IIBD C[C@@]12CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)C[C@H]1C2(Cl)Cl 809844878 YZBRBNNFYOFMDX-VXGBXAGGSA-N 434.128 4.106 5 20 IIBD CCc1nc(C)c([C@H](C)N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCOC)s1 812118103 MTSLCHZWWWXHFF-AWEZNQCLSA-N 430.534 4.024 5 20 IIBD COc1ccc(-c2nc(C(=O)O[C@H]3CCN(Cc4cccc([N+](=O)[O-])c4)C3)cs2)cc1 813170586 IJKYSXADWAXPSV-IBGZPJMESA-N 439.493 4.158 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(N3CCCOC3=O)cc2)cc1SC 814352906 KKUQLCWORWNJKT-ZDUSSCGKSA-N 445.497 4.163 5 20 IIBD CC(C)(NC(=O)c1cc([N+](=O)[O-])ccc1I)c1ccccc1F 817039548 BYERWCDKJBTFGO-UHFFFAOYSA-N 428.201 4.004 5 20 IIBD CCCCN(C)S(=O)(=O)c1ccc(NCc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 863989987 FDUKGNDBUFGSKQ-UHFFFAOYSA-N 443.472 4.229 5 20 IIBD C[C@H]1CCC[C@H](C)N1NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 864847706 BJEJEVRYYJEROO-KBPBESRZSA-N 428.455 4.124 5 20 IIBD O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 916127287 KEMTXEYWJPOWHJ-KAMYIIQDSA-N 430.376 4.417 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)cc2F)C[C@@H](C)O1 918601333 XQRDUXWUEJOTDC-IYBDPMFKSA-N 430.480 4.178 5 20 IIBD O=C1OC(c2ccccc2OC(F)F)=N/C1=C/c1cc([N+](=O)[O-])ccc1OC(F)F 920831814 DCUCVSBWXNOGRH-XYOKQWHBSA-N 426.278 4.142 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)Nc3nnc4ccc(Cl)nn34)cc2[N+](=O)[O-])cc1 1115822433 OSGLEZQYKMWODM-UHFFFAOYSA-N 440.872 4.398 5 20 IIBD O=[N+]([O-])c1ccccc1OCc1nnc(CCCc2nc(-c3ccc(Cl)cc3)no2)o1 1117214609 IRZVRJREMOZYOI-UHFFFAOYSA-N 441.831 4.436 5 20 IIBD COc1ccc(Cc2nc3ccccc3n2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1OC 1320659926 ZAQKTOMSGSUCJT-OAQYLSRUSA-N 433.464 4.286 5 20 IIBD COc1cc(OC)cc(-c2nnc(CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])o2)c1 1322394440 NZHOEZOOBANUGV-UHFFFAOYSA-N 438.362 4.335 5 20 IIBD COc1ccccc1-c1nnc(COC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)o1 1343177810 LKQYEYJSSLTVER-UHFFFAOYSA-N 427.416 4.097 5 20 IIBD NC(=O)[C@H](NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Cl)cc1 1355127600 UIKSCAUKVFVSNV-LJQANCHMSA-N 441.896 4.356 5 20 IIBD O=C(CCC1CCCC1)Nc1ccc(C2(NC(=O)c3nc[nH]c3[N+](=O)[O-])CCC2)cc1 1787617958 VIYQWDOXBPWNHU-UHFFFAOYSA-N 425.489 4.036 5 20 IIBD CC(C)(C)CC(=O)Nc1ccc(C2(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)CCC2)cc1 1787658540 DNRGOVNWVCOEKK-UHFFFAOYSA-N 425.485 4.484 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])[nH]4)CCC3)cc2)ccc1F 1790665891 GQBXZWOFVBMRLU-UHFFFAOYSA-N 436.443 4.432 5 20 IIBD Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])s1 1793074373 OJDDRUJTIQFDDP-BJWYYQGGSA-N 447.944 4.113 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2cccc([N+](=O)[O-])c2)CCC1)c1cccs1 1800040315 ZHCJAALQLCRMFT-BCDXTJNWSA-N 439.537 4.030 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C(C)(C)C)n[nH]1 1816833088 YDUKWVUACZLMHN-MRXNPFEDSA-N 431.468 4.117 5 20 IIBD CC(C)=CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)n[nH]1 1821261394 UNCSXAQJPZCKQV-IBGZPJMESA-N 441.488 4.076 5 20 IIBD O=C(CCc1cccs1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823611061 UOGRMSMRSALDHM-SFHVURJKSA-N 445.541 4.115 5 20 IIBD O=C(c1cccs1)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830615119 ROFWTDJHKAATFM-LJQANCHMSA-N 445.516 4.343 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1F)N1CC2(CCCN2C(=O)c2cccc3ccccc23)C1 1843624020 VBTUXCWQPKIKEB-UHFFFAOYSA-N 433.439 4.018 5 20 IIBD Cc1c(C(=O)N2CCCC23CN(C(=O)c2ccccc2Cl)C3)cc(Cl)cc1[N+](=O)[O-] 1845499860 QKBUFXCDRRLMOA-UHFFFAOYSA-N 448.306 4.341 5 20 IIBD COc1cc(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(C)C 9920891 JJKSFBLXYMFXOJ-UHFFFAOYSA-N 436.848 4.087 5 20 IIBD COCCN(C(=O)Cc1ccc(C)c(OC)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 10445065 PSWWWDQBEGKVPS-UHFFFAOYSA-N 441.509 4.257 5 20 IIBD C[C@H](OC(=O)c1cc(Br)ccc1Cl)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 11481520 LEEGPGNESUCCCZ-QMMMGPOBSA-N 445.628 4.334 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1ccccc1Br)c1ccccc1[N+](=O)[O-] 14375846 AEEPHPYNSJTCEH-INIZCTEOSA-N 435.274 4.170 5 20 IIBD COc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1[N+](=O)[O-] 15801598 IZDUWCMFSNNOPZ-SECBINFHSA-N 446.765 4.460 5 20 IIBD O=[N+]([O-])c1c(Sc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)nc2sccn12 22135562 OTXGVHPHLLNCSM-AWEZNQCLSA-N 427.511 4.498 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2c(C)nn(C)c2C)nc2cc3ccccc3cc2c1=O 28135882 MBUQSQOLIGIBPR-HNNXBMFYSA-N 435.553 4.039 5 20 IIBD Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3F)c2)cc1 58098330 DOQXODUEIDUMDY-UHFFFAOYSA-N 443.456 4.120 5 20 IIBD CCCCN(Cc1ccccc1F)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 60669598 DCMZWIJDLNDKBO-UHFFFAOYSA-N 439.390 4.103 5 20 IIBD C[C@H](NC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 62488644 WJMAZBLZZPDLJA-HNNXBMFYSA-N 438.450 4.448 5 20 IIBD CCOc1cc2c(cc1OCC)CN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])CC2 64419599 ILSANTIDHFLHNP-CQSZACIVSA-N 448.903 4.398 5 20 IIBD Cc1c(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)nnn1-c1cccc([N+](=O)[O-])c1 108883162 DUVBXLWUFXRIFP-UHFFFAOYSA-N 440.891 4.380 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CCN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 169311297 PBHMSAOBJSVDCJ-QHCPKHFHSA-N 439.947 4.160 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1)N1CCCCC1 195702508 YCLMJUPMVRRLKM-LJQANCHMSA-N 429.542 4.282 5 20 IIBD C[C@H](NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C(=O)NCc1ccco1 237557082 ARAPPGSNLLILIS-AWEZNQCLSA-N 429.860 4.428 5 20 IIBD O=C(c1ccccc1)c1ccc(N2CCCN(C(=O)c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 301058586 CQCGAANUYCZUOC-UHFFFAOYSA-N 447.466 4.317 5 20 IIBD COc1c(C)cnc(CN2CCC(N(C)c3ccc([N+](=O)[O-])c4cnccc34)CC2)c1C 301172703 FJIHEBGXNCKTAS-UHFFFAOYSA-N 435.528 4.264 5 20 IIBD CCCC(=O)Nc1cccc(CNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)c1 301203327 XPOPOZINYSTQPB-UHFFFAOYSA-N 441.875 4.145 5 20 IIBD O=C(Nc1ccc(Br)cc1)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 301803512 UTLJOVWQXITCNV-UHFFFAOYSA-N 440.244 4.491 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)c1ccccc1[N+](=O)[O-] 303930644 VJGXDMMQYNABGP-NUJGCVRESA-N 432.423 4.176 5 20 IIBD COc1ccccc1-c1nc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])n[nH]1 429132208 YUZODSGZLVAGOV-UHFFFAOYSA-N 445.435 4.220 5 20 IIBD CCCc1c(NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)cnn1-c1ccccc1C 429267982 PJDPGVUEQZGXMO-UHFFFAOYSA-N 445.483 4.183 5 20 IIBD COC(=O)CN(C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(C)n1 429523268 VSHNUWUMXKQMIU-UHFFFAOYSA-N 437.477 4.269 5 20 IIBD COc1cc(C(=O)Nc2c(C)cnc3c(OC)cccc23)c([N+](=O)[O-])cc1OC(F)F 430113039 HACDSAPRJXEADY-UHFFFAOYSA-N 433.367 4.322 5 20 IIBD O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 431334856 SUILCGAODRGEMT-CYBMUJFWSA-N 435.249 4.232 5 20 IIBD O=C(NCc1cccc(NC(=O)C2CCC2)c1)c1cc(Br)cc([N+](=O)[O-])c1 431643770 DGBGNDNHPVAKGO-UHFFFAOYSA-N 432.274 4.026 5 20 IIBD CC(C)N(Cc1nc(O)c2ccccc2n1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 432242314 YPFFEJJEJMKZTL-UHFFFAOYSA-N 445.273 4.057 5 20 IIBD O=C(c1ccc(Cl)cc1)N1CCCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 436309442 RUQGIBVKIIRCEM-UHFFFAOYSA-N 428.798 4.015 5 20 IIBD COCCc1noc(-c2cc(Cl)ccc2NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)n1 439687582 XTXCBBRVDMCUKE-UHFFFAOYSA-N 448.888 4.461 5 20 IIBD C[C@H](SCC(=O)Nc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 443406373 DNAVAAFHZKANOB-NSHDSACASA-N 427.404 4.313 5 20 IIBD C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)Oc1cccc(F)c1 444095667 MPHPDHRGPLIPEF-GFCCVEGCSA-N 426.394 4.296 5 20 IIBD Cc1ccccc1-c1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)n(C)n1 446112322 OZPYLICSVDYKFO-UHFFFAOYSA-N 429.274 4.247 5 20 IIBD O=C(Nc1cc(-c2cccc(F)c2)on1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 448536352 AAXABUVDVKNGBG-UHFFFAOYSA-N 435.361 5.006 5 20 IIBD COc1ccc([C@@H](Cc2ccccc2)NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1 461082660 NYHOXCBPOJKHTA-OAQYLSRUSA-N 436.464 4.091 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N(C)CC[C@@H]3CCCCN3C)cc2[N+](=O)[O-])n1 461259229 SRDVNJJQRYHRJC-INIZCTEOSA-N 434.587 4.457 5 20 IIBD O=[N+]([O-])c1cccc(CN(c2nnc(CC3CCCC3)n2C[C@H]2CCOC2)C2CC2)c1 461713926 VSANIZUJPAHDBI-LJQANCHMSA-N 425.533 4.125 5 20 IIBD COCC[C@@H]1COCCN1C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 462770236 XEJKCRFMWOZFNN-OAHLLOKOSA-N 436.917 4.277 5 20 IIBD O=C(Nc1cccc(Oc2ccccn2)c1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 464890477 HQYOZFSTOWFQSE-INIZCTEOSA-N 438.465 4.087 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC[C@@H]1c1cccc(Br)c1 465072093 KLVBECOWYXYLPD-MRXNPFEDSA-N 447.285 4.035 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 466496305 JNLJENKBRQSOTR-UHFFFAOYSA-N 429.436 4.494 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)NCC2(Cc3ccccc3)CCC2)cc1[N+](=O)[O-] 466641731 VORMNKFXCHMUKS-UHFFFAOYSA-N 437.525 4.017 5 20 IIBD C[C@@H](C[S@@](C)=O)N(C)C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 468292343 SRLWLJOVNJJWHV-WUTCKBNWSA-N 449.579 4.195 5 20 IIBD Nc1c(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)cccc1[N+](=O)[O-] 468696754 OIBHDRLLNYTXAU-UHFFFAOYSA-N 431.452 4.020 5 20 IIBD CCOC(=O)CN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1cc(Cl)cc(Cl)c1 471856415 LIBQEXBEBCABCB-UHFFFAOYSA-N 427.240 4.120 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 477255756 XGLWLZVDFDNCIA-CQSZACIVSA-N 432.832 4.206 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1Oc1ccccc1 478099051 WXIOIOHDQWMMQT-UHFFFAOYSA-N 439.855 4.338 5 20 IIBD COc1ccc(CCN(CC(C)C)C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)cc1OC 479063170 CALGRTUVZWYVGF-UHFFFAOYSA-N 430.501 4.270 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1 479585860 PXGFDLNYGPEBLA-KRWDZBQOSA-N 429.477 4.248 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](c1ccccc1)c1nc2ccccc2n1C 481397506 DPVKMJBZPHPTTN-DEOSSOPVSA-N 443.507 4.498 5 20 IIBD O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O)c1ccc([N+](=O)[O-])cc1 481881526 RQBSVOPVGAGSCM-UHFFFAOYSA-N 447.856 4.007 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Cl)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 482343119 KBKWVNZHQXWAQU-IVZQSRNASA-N 438.871 4.492 5 20 IIBD CCOc1cn(-c2ccccc2)nc1C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 482967205 WYGZOQSNLMSBSF-UHFFFAOYSA-N 448.401 4.384 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)Cc2cccc(Br)c2)cc1SC 483353696 SGKRIVAWMRIJBN-NSHDSACASA-N 439.331 4.449 5 20 IIBD COCCN(Cc1sccc1Br)C(=O)Nc1ccc([N+](=O)[O-])cc1OC 484777776 SAZBJXGAPMOTFX-UHFFFAOYSA-N 444.307 4.108 5 20 IIBD Cn1cnc(-c2cccc(NC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])c2)n1 486162712 ZEDVNKRBIFYMAR-UHFFFAOYSA-N 429.436 4.222 5 20 IIBD CCc1nnc(-c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3SCCOC)cc2)o1 490012174 SBGGOKJFFDVHDA-UHFFFAOYSA-N 428.470 4.198 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CCC[C@@H]1OCc1ccccc1 491033474 IEMSFDYGBZNPGM-OALUTQOASA-N 433.302 4.154 5 20 IIBD COc1cc(CN2CCC[C@H]2c2nc3ccccc3n2C)c([N+](=O)[O-])cc1OCC(F)F 491116031 TUYSWRNBIZENES-KRWDZBQOSA-N 446.454 4.471 5 20 IIBD COc1c(F)cc(S(=O)(=O)N(C)[C@@H](C)c2sc(C(C)C)nc2C)cc1[N+](=O)[O-] 493417530 VPGAGNAYQRLHOE-NSHDSACASA-N 431.511 4.013 5 20 IIBD COC(=O)c1cccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1Br 495022713 DUQHJJIGJVRUQC-UHFFFAOYSA-N 448.273 4.340 5 20 IIBD Cc1cc(C)nc(-n2nc(C)c(CC(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)c2C)n1 499472426 QCBXRUVTBFQAJD-UHFFFAOYSA-N 448.405 4.004 5 20 IIBD O=C(Nc1ccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1)c1ccncc1 501748852 VRDAUSPQYWDLGU-UHFFFAOYSA-N 432.461 4.387 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 503528081 RYUVLWFXNOBQFK-GOSISDBHSA-N 449.389 4.320 5 20 IIBD CC[C@H]1c2ccsc2CCN1C(=O)c1ccc([N+](=O)[O-])cc1I 508943204 WONBAIDWKOQUBS-AWEZNQCLSA-N 442.278 4.411 5 20 IIBD CCSCC[C@@H](C)N(C)C(=O)c1cc([N+](=O)[O-])cc(I)c1C 510057826 SYGOBHNTXNRCNA-SNVBAGLBSA-N 436.315 4.112 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCC[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1SC 510196935 XTYKRKMKYZVPAU-SJLPKXTDSA-N 443.569 4.356 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CCC(n3ccnc3)CC2)cc1 512370101 KZDYKVSFUISXQU-UHFFFAOYSA-N 428.496 4.481 5 20 IIBD COCCO[C@@H]1CCCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 513773718 PKSQSXDTTUNSKE-GOSISDBHSA-N 447.919 4.128 5 20 IIBD CCOc1cc(C(=O)N2CCC(Oc3ccccc3Cl)CC2)c([N+](=O)[O-])cc1OC 513873739 CGVCYBTULGESSR-UHFFFAOYSA-N 434.876 4.339 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)Nc1ccccc1N1CCCC1)c1ccccc1[N+](=O)[O-] 515109912 MPUKTJJJWWCOOM-IBGZPJMESA-N 440.500 4.400 5 20 IIBD CCOC(=O)c1sc2nc(CN(C)C)nc(Oc3cc([N+](=O)[O-])ccc3C)c2c1C 515480434 DKNWVPGSMJYGNA-UHFFFAOYSA-N 430.486 4.247 5 20 IIBD Cc1cc(C)n(Cc2cccc(C(=O)Nc3cc(C)nn3-c3ccc([N+](=O)[O-])cc3)c2)n1 518372307 OCARVJOTTNVNSP-UHFFFAOYSA-N 430.468 4.203 5 20 IIBD CCCN(Cc1ccccc1Br)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F 521156065 SCJUSJOOAYEIDI-UHFFFAOYSA-N 431.283 4.097 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc(NC(=O)C4CC4)nc3)cc2[N+](=O)[O-])C1 521801307 ZLTKGBJNKLHXBU-GJZGRUSLSA-N 437.500 4.073 5 20 IIBD CCN(C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H](c1cccnc1)c1ccc(F)cc1F 522175776 AVBDARXNQDTJOH-QHCPKHFHSA-N 441.434 4.457 5 20 IIBD CCS(=O)(=O)c1ccc(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 522673082 PFPYMVKGFYCLKK-UHFFFAOYSA-N 426.450 4.433 5 20 IIBD C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 522953139 QTTYYSCZMLPKLI-CQSZACIVSA-N 431.876 4.026 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 524553617 PSSGNOUVUBIXCM-NSHDSACASA-N 443.456 4.428 5 20 IIBD COc1cc(CN(C)C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c(SC)cc1OC 524952189 UTLLDMQHDSNABH-CYBMUJFWSA-N 436.555 4.473 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCC(c2ccccc2Br)CC1 526133958 OYRGPQGKQOVWNM-UHFFFAOYSA-N 447.285 4.148 5 20 IIBD CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCSc2ccc(Br)cc21 532554822 ASXPERTWDRMFMU-OAHLLOKOSA-N 436.331 4.125 5 20 IIBD Cc1c(C(=O)Nc2ccc(SCc3ccccc3)cn2)nnn1-c1cccc([N+](=O)[O-])c1 532821616 XPBJLJHVEVJPEG-UHFFFAOYSA-N 446.492 4.424 5 20 IIBD COc1cc(CNC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])cc1OC 537360943 MPNIZULBBCSXHD-SPLOXXLWSA-N 437.899 4.187 5 20 IIBD CN(C(=O)Cc1csc(-c2cccnc2)n1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 538253348 YPRYHPAJBDHXSE-UHFFFAOYSA-N 437.506 4.442 5 20 IIBD O=C(c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N1CCc2ncc([N+](=O)[O-])cc2C1 538682052 AXAREYPXGNHRIT-UHFFFAOYSA-N 444.369 4.394 5 20 IIBD CC(=O)N[C@@H](CC(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1)c1cccs1 540449915 IQIJAAIZMZYNOX-AWEZNQCLSA-N 430.511 4.010 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)c1 540615078 BQJUVQGNIFPJNC-UHFFFAOYSA-N 432.904 4.190 5 20 IIBD O=C(Nc1nc(/C=C\c2ccccc2)cs1)c1cccc([N+](=O)[O-])c1N1CCOCC1 540641391 DCQMYJLYXAQFLR-KTKRTIGZSA-N 436.493 4.311 5 20 IIBD COc1ccc(NC(=O)CN[C@H](C)[C@@H](C)c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 541637242 QOHFPYUEXUISEE-CHWSQXEVSA-N 425.407 4.343 5 20 IIBD O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)Nc1ccc([N+](=O)[O-])cc1F 542713269 UGKDIZWRIUEASM-GFCCVEGCSA-N 437.269 4.144 5 20 IIBD Cc1cc(C(=O)NCC(=O)N[C@H](c2cccc3ccccc23)C(F)(F)F)ccc1[N+](=O)[O-] 543941765 IFAZJLJWVULCPT-HXUWFJFHSA-N 445.397 4.206 5 20 IIBD COCCC(C)(C)CNC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 545360728 WBCRVIQYZFDBGY-UHFFFAOYSA-N 430.526 4.340 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC=C(c2ccccc2)C1 552783048 ACYUMVIEKUVGKO-UHFFFAOYSA-N 426.494 4.180 5 20 IIBD CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCc1csc(-c2ccoc2)n1 553304401 SOUDLFWIEMDEFN-UHFFFAOYSA-N 440.437 4.253 5 20 IIBD COC(=O)[C@@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1ccc(Cl)c(F)c1 553366858 LNZKFXSEPXWBHF-SFHVURJKSA-N 443.818 4.093 5 20 IIBD O=C(Nc1cccc(CC(F)(F)F)c1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 560214571 CPWMIWLFAWHTMZ-UHFFFAOYSA-N 446.179 4.039 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N(CCO)C3CCSCC3)cc2[N+](=O)[O-])cc1 565684817 VNDPZTQIDZJRRL-UHFFFAOYSA-N 432.567 4.385 5 20 IIBD Cc1cc(=O)c(-c2nc(-c3cc(Cl)cc(Cl)c3)no2)nn1-c1ccccc1[N+](=O)[O-] 565807506 RJEWEZFYQOJPTF-UHFFFAOYSA-N 444.234 4.473 5 20 IIBD O=[N+]([O-])c1ccc(N2CC[C@@](CO)(Cc3ccc(F)cc3)C2)nc1-c1ccc(F)cc1 567540327 LZKXDOKVSMLUOS-HSZRJFAPSA-N 425.435 4.367 5 20 IIBD COc1ccc(-c2ccc(CN3CC[C@](CO)(Cc4ccc(F)cc4)C3)o2)c([N+](=O)[O-])c1 567720506 KJXOXHYISSAIJB-DEOSSOPVSA-N 440.471 4.430 5 20 IIBD O=C(c1ccccc1)c1ccc(N2CC[C@](CO)(Cc3ccc(F)cc3)C2)c([N+](=O)[O-])c1 567784612 OZXYXCLLLFXEMY-VWLOTQADSA-N 434.467 4.396 5 20 IIBD Cc1noc([C@@H](NC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)C2CCOCC2)n1 570234032 CCCQMFXULBKCAW-IBGZPJMESA-N 448.545 4.322 5 20 IIBD Cc1nc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)sc1Cc1c(F)cccc1F 573420356 CFTZPPHSMMBTOQ-UHFFFAOYSA-N 447.419 4.252 5 20 IIBD CCOC(=O)c1csc(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)n1 576551643 HFANEKHMHVOGAK-UHFFFAOYSA-N 449.554 4.440 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](c1cncc(Br)c1)C1CC1 577115077 NLLZCAMWWOQFSI-LJQANCHMSA-N 433.306 4.130 5 20 IIBD COc1ccc2oc([C@H](C)NC(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)c(C)c2c1 578058788 GUVONYFGVDOXQD-AWEZNQCLSA-N 425.441 4.323 5 20 IIBD CC(C)(C(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1)c1ccccc1[N+](=O)[O-] 578211448 UBKXRBULAOPFBF-UHFFFAOYSA-N 434.414 4.411 5 20 IIBD C[C@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1ccc(Oc2cccnc2)cc1 580356268 BKEYWSXRJZGGHI-INIZCTEOSA-N 427.482 4.005 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(-c3nc([C@H]4CN5CCC[C@@]5(C)CO4)no3)cc2[N+](=O)[O-])C1 584747525 LCIFHZQLQAUTOB-WSBRVHRESA-N 441.532 4.053 5 20 IIBD C/C(=C/c1cc(I)cc([N+](=O)[O-])c1)c1nc(O)c2ccsc2n1 589554459 XFJCIJSOABUFEO-YWEYNIOJSA-N 439.234 4.470 5 20 IIBD COc1ccccc1CC(=O)N1CCC(Nc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 590575869 WSWHLUVBMTZLQO-UHFFFAOYSA-N 437.418 4.268 5 20 IIBD CCCN(C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)[C@H](CC)c1ccccc1 603528427 MRSFANGFVFUUJJ-LJQANCHMSA-N 434.496 4.453 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1nn(-c2ccc(F)cc2)c2c1CCC2 603638389 MDUKCGJIYHFVDY-UHFFFAOYSA-N 432.358 4.262 5 20 IIBD C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 603966917 MGPXXJDUZBIXJY-KZULUSFZSA-N 436.295 4.384 5 20 IIBD Cc1ccn2cc(CNC(=O)c3ccc(Sc4nc(C)cs4)c([N+](=O)[O-])c3)nc2c1 604198466 KRCZRLNONFKIBA-UHFFFAOYSA-N 439.522 4.397 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCCN3Cc4ccccc4C3)cc2[N+](=O)[O-])n1 604481338 GSCGMGXKBFOMAO-UHFFFAOYSA-N 440.550 4.257 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C1CCCCC1 609004669 DXKDJPDPWBGSIG-FQEVSTJZSA-N 429.904 4.495 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1nnc(Cc2ccc(F)cc2)s1 609304058 CCAQGDXESHHQRE-JTQLQIEISA-N 436.852 4.236 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H](c1ccc2c(c1)OCCO2)C1CC1 609725304 XICIRXKKTOLITA-NRFANRHFSA-N 432.860 4.056 5 20 IIBD CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl 609792629 JGECGQIKGVHBKI-UHFFFAOYSA-N 430.867 4.411 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@H](c1cccc(F)c1)c1cnn(C)c1 609969620 DDPMRIDLOLWFRY-ZUOKHONESA-N 446.866 4.136 5 20 IIBD CC(C)(C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccc([N+](=O)[O-])cc1 610037371 BHBFGTZXRZBKJD-UHFFFAOYSA-N 431.492 4.010 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCC2(c3cccc(Cl)c3)CC2)ccc1[N+](=O)[O-] 610050570 BLOSMXZFOKNUAE-HXUWFJFHSA-N 441.915 4.009 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)Nc1nnc(Cc2ccc(F)cc2)s1 610095482 VKPOYUGGWLPLGG-UHFFFAOYSA-N 429.477 4.321 5 20 IIBD COc1ccc(C(=O)C2CCN(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)CC2)cc1 610105617 QKQSRSBOCBLDCM-UHFFFAOYSA-N 439.512 4.231 5 20 IIBD CCCOc1ccc(NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1Cl 610141805 NXKWJBZDIYWXEZ-UHFFFAOYSA-N 446.891 4.027 5 20 IIBD C[C@H](N[C@@H](Cn1cccn1)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 610162533 IRGSTIXNLFOWKZ-LIRRHRJNSA-N 447.417 4.168 5 20 IIBD C[C@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C[C@@H](C)S1 610301090 PPIPDQDEEHNYRI-BETUJISGSA-N 431.480 4.182 5 20 IIBD CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 610960521 JEHRNICWZFZGRX-LJQANCHMSA-N 441.450 4.257 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(SCc2ccccc2)cn1 611086997 CKEFMQDXTRHONA-OAHLLOKOSA-N 436.493 4.039 5 20 IIBD CCN(CC)CCO[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 611206586 MRPOBVQNONYZEG-SFHVURJKSA-N 435.590 4.202 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(OCc2ccc(F)cc2)CC1 611259955 XVGZJOKWQVYKCT-CQSZACIVSA-N 435.883 4.396 5 20 IIBD CCCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nc2sc3c(c2c1=O)CCC3 612265231 AMDBWOUCCHPZHS-UHFFFAOYSA-N 429.523 4.240 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2[nH]c3ccc(C(=O)O)cc3c2C1 617715396 QDOGSLDQMGYWQP-UHFFFAOYSA-N 439.493 4.473 5 20 IIBD O=C(OCc1noc(-c2ccc(Cl)cc2)n1)c1cc([N+](=O)[O-])ccc1Br 725983963 AQURCRNXTVKFMY-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD CNC(=O)c1cc(OC)ccc1NC(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 726514954 STPPASFVIBOZJF-UHFFFAOYSA-N 431.514 4.354 5 20 IIBD C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] 728352123 YIHGWCGXFKATHV-KRWDZBQOSA-N 434.448 4.135 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)ccc2C(=O)NC(C)C)cc1SC 728467705 OMACDEKBSRBBOE-UHFFFAOYSA-N 437.905 4.369 5 20 IIBD CCN(C(=O)COc1cc([N+](=O)[O-])c(C=O)cc1OC)[C@H](C)c1cc2ccccc2o1 731616357 KHJBYAFOZWAVKG-CQSZACIVSA-N 426.425 4.151 5 20 IIBD CCN(CC(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccccc1 731915983 RQFXTJCBYVGYIX-ZDUSSCGKSA-N 439.390 4.010 5 20 IIBD O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 733160643 RGFFZNJOUAFEGO-LJQANCHMSA-N 441.553 4.119 5 20 IIBD CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 733984510 NQTVUINFHNVPFN-RBZFPXEDSA-N 443.928 4.071 5 20 IIBD O=C(O[C@H](c1ccc(Br)cc1)C1CC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 734729080 FVUJSRVNPGPNKR-SFHVURJKSA-N 443.257 4.246 5 20 IIBD CCc1ccc(OC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)c([N+](=O)[O-])c1 734738112 ZYEUUDADTBIYPM-UHFFFAOYSA-N 440.905 4.060 5 20 IIBD CCCNC(=O)Nc1ccc(CC(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 735604627 QIRGCFHINBBZSO-UHFFFAOYSA-N 438.440 4.067 5 20 IIBD CC(C)(C)C[C@@H](O)CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 735821689 UIIINABILVLJSN-CQSZACIVSA-N 433.892 4.027 5 20 IIBD COc1ccc(-c2nn(CN3CCCc4ccc([N+](=O)[O-])cc43)c(=O)c3ccccc23)cc1 738044535 OXZWWRAPLWXSEJ-UHFFFAOYSA-N 442.475 4.391 5 20 IIBD COc1cc(COC(=O)[C@H]2SCCc3ccccc32)c([N+](=O)[O-])cc1OC(F)F 745472302 INIYSVKSXQRTKH-KRWDZBQOSA-N 425.409 4.279 5 20 IIBD Cc1cc(C)nc(Sc2ccc(NC(=O)COc3ccc([N+](=O)[O-])c(F)c3)cc2)n1 745759714 IFAWSMRDRUUKGO-UHFFFAOYSA-N 428.445 4.309 5 20 IIBD CCN(CC1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1)C(=O)OC(C)(C)C 745988025 OAZWKJIVXAQATD-QGZVFWFLSA-N 448.564 4.199 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c(Br)c1 746592044 SWOGDFLFYSFNGC-UHFFFAOYSA-N 439.259 4.473 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1F)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 746991762 ZSQGSQLLYRGYLJ-UHFFFAOYSA-N 429.425 4.065 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCc3cc(C(C)(C)C)ccc32)cc1OC 749804769 DDBPNFZLBOCXPT-UHFFFAOYSA-N 428.485 4.129 5 20 IIBD Cc1oc(-c2cccs2)nc1CC(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 750427734 OLSDVVUDMPGOQS-UHFFFAOYSA-N 442.497 4.017 5 20 IIBD C[C@H](OC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1nc(Cc2ccccc2)no1 750967243 YGVFQNYWNACHIZ-NSHDSACASA-N 432.230 4.249 5 20 IIBD Cc1noc(C2CC2)c1C(=O)O[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 751694054 WQFOEJSKFCBPBQ-NSHDSACASA-N 442.453 4.076 5 20 IIBD Cc1ccc2nc([C@@H]3CCCN3S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3Cl)[nH]c2c1 752249299 JBZRODFFLYRJBA-INIZCTEOSA-N 434.905 4.267 5 20 IIBD O=C(NCC1([C@H](O)c2ccccc2)CC1)c1cc(Br)cc([N+](=O)[O-])c1Cl 752345012 GKZZZFLJLQTGPA-MRXNPFEDSA-N 439.693 4.254 5 20 IIBD CCn1c(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)nc2cc(F)ccc21 752808754 UQWPFUPQNUXTFE-UHFFFAOYSA-N 425.189 4.257 5 20 IIBD O=C(NC[C@@H](O)c1ccccc1C(F)(F)F)Nc1ccc(Br)c([N+](=O)[O-])c1 755023968 BXJKVDIBCIBVDV-CQSZACIVSA-N 448.195 4.231 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1n[nH]c(-c2ccccc2)c1Br 756995741 FSBKSHNHSIDCRK-UHFFFAOYSA-N 435.665 4.331 5 20 IIBD C[C@H]1C[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2Br)CCN1Cc1ccccc1 758417454 BBKJMONNKJVZPF-RDJZCZTQSA-N 446.345 4.482 5 20 IIBD CC(C)C[C@@H](CCO)CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 761753304 ODVNTWOSKKQUOZ-OAHLLOKOSA-N 447.919 4.275 5 20 IIBD O=C(c1ccccc1)c1ccc(N2CCOC[C@H]2C[C@@H](O)c2ccccc2)c([N+](=O)[O-])c1 763377078 CPDDQWWAVLTEDD-ZJSXRUAMSA-N 432.476 4.155 5 20 IIBD C[C@H](OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(=O)Nc1ccc2ccccc2c1 763872381 XWTMBWJNBUXRHP-HNNXBMFYSA-N 430.420 4.118 5 20 IIBD COc1ccc([C@@H](CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)N2CCCCC2)cc1 764560733 JZTMHLROYXJCGW-RUZDIDTESA-N 438.572 4.389 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)OC[C@@H]1CC(=O)N(C)[C@H]1c1ccc(OC)cc1 764648069 JSAJSMLMWHIVRD-BTYIYWSLSA-N 444.509 4.092 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 768886428 DCDAFYMSVLMTPI-NSHDSACASA-N 427.504 4.043 5 20 IIBD CN(CCC1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1)C(=O)OC(C)(C)C 770232969 UMJGQPLVRYOMFF-UHFFFAOYSA-N 425.913 4.357 5 20 IIBD CN(C)c1cc(F)c(C(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)cc1[N+](=O)[O-] 774003664 NWCKDRHXFMGNBG-JOCHJYFZSA-N 433.443 4.196 5 20 IIBD CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1 777832446 OCRJHEJHXGAFTO-UHFFFAOYSA-N 437.456 4.058 5 20 IIBD CCCN([C@H](CC)c1ccccc1)S(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 777915065 MEQPLTPXNGVJCW-GOSISDBHSA-N 447.513 4.103 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(NC(=O)c2ccsc2)cc1 777992821 TWOFBSBOMOIOCE-UHFFFAOYSA-N 436.442 4.124 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 778782803 DRIVAPYUJNAHJJ-GHMZBOCLSA-N 441.303 4.150 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@@H](c3ccccc3)N(C)CC)CC2)ccc1[N+](=O)[O-] 780389879 STLPHTFEQDWRDR-HSZRJFAPSA-N 441.528 4.199 5 20 IIBD O=C(COC(=O)c1cccc([N+](=O)[O-])c1Br)Nc1cc(Cl)ccc1Cl 781679019 UUMJFTBEOBFQDP-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD Cc1ccnc(OC2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)CC2)c1 782473750 INUNHCXOIMVAGR-UHFFFAOYSA-N 438.528 4.218 5 20 IIBD Cc1c(C)n(C[C@@H]2CCCO2)c2ncnc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])c12 782575584 DYWFOSXFUPVSHS-ZDUSSCGKSA-N 429.864 4.041 5 20 IIBD CCC(=O)c1cc(C(=O)Oc2cc([N+](=O)[O-])ccc2I)ccc1F 782665450 QPAPLFGYEJLHGE-UHFFFAOYSA-N 443.168 4.150 5 20 IIBD COc1ccc(-c2noc([C@@H](C)OC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 783204862 UIRLNIRXZLYASB-NEPJUHHUSA-N 447.831 4.379 5 20 IIBD O=[N+]([O-])c1cccc([C@H](O)COc2ccc(Oc3ncc(Br)cn3)cc2)c1 788830440 XVDNBWOWIHMISW-QGZVFWFLSA-N 432.230 4.052 5 20 IIBD CCSc1nn(CN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c(=S)s1 789485673 ZGTZZJLULLEQCI-UHFFFAOYSA-N 447.405 4.473 5 20 IIBD Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 789855352 LNOHNBAYXAESJC-LJQANCHMSA-N 441.285 4.048 5 20 IIBD COc1ccccc1-c1nc(C2CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])CC2)no1 791049726 AXCRIVBBMNHTPB-UHFFFAOYSA-N 442.859 4.327 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCCC1 791590272 UVGISYZGGYOZBQ-INIZCTEOSA-N 435.521 4.197 5 20 IIBD O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)Nc2cccc3c2CN(c2ccccn2)C3)c1 795344503 AVPDWRKZYKEFDY-UHFFFAOYSA-N 448.863 4.103 5 20 IIBD CCOc1cc(COC(=O)C2(c3cccc(Br)c3)CC(=O)C2)ccc1[N+](=O)[O-] 798689509 YPTMQLCAQUHIKC-UHFFFAOYSA-N 448.269 4.100 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 799358974 PDSIFKPWWGTHOJ-CVEARBPZSA-N 445.520 4.333 5 20 IIBD CCO[C@H](C)c1ncc(C(=O)Nc2ccc([N+](=O)[O-])c(I)c2)s1 801699588 LUNCTZSPKAGLLL-MRVPVSSYSA-N 447.254 4.006 5 20 IIBD COc1c(C)cnc(CN2CCC(N(C)Cc3ccc([N+](=O)[O-])c(Cl)c3)CC2)c1C 809766553 ZLFIYSYOWGJLQX-UHFFFAOYSA-N 432.952 4.365 5 20 IIBD CN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F 809809507 PGMBLKXOAXKXLX-UHFFFAOYSA-N 426.775 4.227 5 20 IIBD CC(C)Oc1cccc([C@H](OC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C(F)F)c1 810804545 DHHMSPGTIHOYSQ-SFHVURJKSA-N 432.383 4.126 5 20 IIBD CCS(=O)(=O)c1ccc(F)c(C(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 811121466 AWYMFUWSZWYSHV-UHFFFAOYSA-N 436.244 4.191 5 20 IIBD CC(C)NC(=S)/C(=C(/O)c1cccc([N+](=O)[O-])c1)[n+]1cc(O)cc(-c2ccccc2)c1 811723952 SMYXYGJNFRSXGB-UHFFFAOYSA-O 436.513 4.464 5 20 IIBD C[C@@H]1CCCN(Cc2csc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)n2)C1 812190970 ODDFBWFAPDZBGC-OAHLLOKOSA-N 429.546 4.136 5 20 IIBD Cc1ccc(N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c(Br)c1 812327058 ZFUFJYOHJPBYFU-UHFFFAOYSA-N 433.711 4.453 5 20 IIBD CNC(=O)c1cc(Oc2ccc(N[C@H](C)c3ccc(N)c([N+](=O)[O-])c3)cc2F)ccn1 815628405 ZCHYCMHHYMTBRX-GFCCVEGCSA-N 425.420 4.036 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC12CCC2 816846636 FZDUQODTHHSQIY-OAHLLOKOSA-N 440.500 4.195 5 20 IIBD Cn1cnnc1Sc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 824266872 PNIQUSBKMLMVQC-UHFFFAOYSA-N 438.513 4.117 5 20 IIBD CCc1cc(C(=O)O[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)n[nH]1 914954812 HHNQGLPOLQGADC-GOSISDBHSA-N 428.832 4.071 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)NCc2ccccn2)c(Cl)c1 916086106 RZEVUGUWVQYFIJ-IZZDOVSWSA-N 436.855 4.225 5 20 IIBD Cc1ccc(CC(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)cn1 918213367 BGYWHSZLCTWXOT-UHFFFAOYSA-N 425.828 4.352 5 20 IIBD COc1cc(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)ccc1C 918638564 RPARGAZIFIEFTR-LJQANCHMSA-N 426.469 4.154 5 20 IIBD O=C(COc1ccc(Br)cc1Cl)OCCOc1ccccc1[N+](=O)[O-] 918993137 SWOFCVPRNPBSRU-UHFFFAOYSA-N 430.638 4.012 5 20 IIBD CSc1ccc(Cl)c(C(=O)OCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 920149163 SZHBFNBSCBOFIS-UHFFFAOYSA-N 429.281 4.210 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12 920910723 QTOBDZLTSFKTQO-UHFFFAOYSA-N 432.436 4.064 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)Cc1sc(N)nc1-c1ccc(C)c(C)c1 927388893 WINKINDJMUMBBY-UHFFFAOYSA-N 427.482 4.212 5 20 IIBD Nc1c(C(=O)N2CCCC[C@H]2c2nc3ccccc3o2)cc(Br)cc1[N+](=O)[O-] 1256685801 OGIOMBUYCLJJBX-AWEZNQCLSA-N 445.273 4.448 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cc(F)ccc1NC(=O)OC(C)(C)C 1318730834 RYTHMQBKRWQCGV-UHFFFAOYSA-N 425.438 4.190 5 20 IIBD CC(=O)Nc1cccc(Nc2nn(CN3Cc4ccc([N+](=O)[O-])cc4C3)c(=S)s2)c1 1319156099 GREGOPMLJNTRJY-UHFFFAOYSA-N 442.526 4.258 5 20 IIBD O=[N+]([O-])c1ccccc1OCc1nnc([C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)o1 1322151475 OTWZKZKXCXJFHZ-HXUWFJFHSA-N 448.401 4.263 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(O)cc([N+](=O)[O-])c4)CCC3)cc2)cn1C 1788796772 TYOUKLBAERFJFM-UHFFFAOYSA-N 448.479 4.009 5 20 IIBD Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3ccccc3[N+](=O)[O-])[nH]n2)o1 1815387055 JPUKUWQRVNBBQI-RDELFYGPSA-N 449.467 4.239 5 20 IIBD CCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1823681496 LPJOJHVGRIHHTR-OAQYLSRUSA-N 429.561 4.193 5 20 IIBD O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC([C@H]2CCCCN2C(=O)CCC2CCC2)CC1 1824353024 WFXJGAKYJGFRIZ-JOCHJYFZSA-N 443.544 4.114 5 20 IIBD O=C(C1CCCC1)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1824838041 AMIPJUFBZCKEOC-QHCPKHFHSA-N 441.572 4.337 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC2(CCCN2C(=O)c2ccc(F)cc2)C1 1844932501 YHQAOXZPSNZTEA-UHFFFAOYSA-N 439.468 4.079 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)Nc2nc3c(ccc4ccccc43)s2)cc1[N+](=O)[O-] 14505262 IHQCAYHGOQIKEX-UHFFFAOYSA-N 427.463 4.014 5 20 IIBD CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CC(C)(C)NC2(C)C 15962376 HJZBWCZEHKPROA-UHFFFAOYSA-N 431.514 4.245 5 20 IIBD CC(C)OCc1c(C(=O)OCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)oc2ccccc12 16114400 DLYIEXVHISWECC-UHFFFAOYSA-N 438.436 4.012 5 20 IIBD C[C@H](OC(=O)c1cc(Cl)c2c(c1)OCCCO2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 17757272 VCQVGPHWQKODFZ-NSHDSACASA-N 445.815 4.378 5 20 IIBD CCN(C(=O)COC(=O)c1ccc(SC)c([N+](=O)[O-])c1)c1nc2ccccc2s1 20071336 LZFDKGFBLDQWGU-UHFFFAOYSA-N 431.495 4.136 5 20 IIBD COc1ccc(NC(=O)CSc2nc(C(F)(F)F)nc3ccccc23)c([N+](=O)[O-])c1 22247992 FSPNKJBMMIPPRM-UHFFFAOYSA-N 438.387 4.296 5 20 IIBD C[C@H](NC(=O)COC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1cccs1 24770723 KFCSDMHKNDELCR-HNNXBMFYSA-N 439.493 4.303 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)Cc1csc(-c2ccccc2Cl)n1 26674481 MUNOBVXSOVNHMQ-UHFFFAOYSA-N 445.884 4.405 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCc1cccc2ccccc12 26913044 IZOFLGTZTNFPQZ-OAQYLSRUSA-N 438.505 4.343 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc2ccsc2c1=O 27820101 BRQGZIDIXORFKA-SECBINFHSA-N 438.918 4.159 5 20 IIBD CCc1ccccc1NC(=O)[C@H](C)OC(=O)Cn1c2ccccc2c(=O)c2ccccc21 28774999 AUZCQEXJLBHNRK-KRWDZBQOSA-N 428.488 4.288 5 20 IIBD COc1ccc(-c2nc(CN3CCN(c4ccc([N+](=O)[O-])cc4F)CC3)cs2)cc1 29584719 MCXQJCIDWCUVTG-UHFFFAOYSA-N 428.489 4.188 5 20 IIBD CCOc1cc(C(=O)NCc2ccccc2CN2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OC 58952415 XRFHINJRWWOOLQ-KRWDZBQOSA-N 441.528 4.164 5 20 IIBD O=C(Nc1cc(F)ccc1NC(=O)c1ccccn1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 59352717 MJCVGPPDPLQXRA-UHFFFAOYSA-N 449.442 4.234 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1cc(F)ccc1Br 64421219 VKEITSLWCUNKCM-VIFPVBQESA-N 431.645 4.234 5 20 IIBD C[C@H]1CCCN(Cc2ccccc2CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 72009926 JAWPASCPYRKRHA-IBGZPJMESA-N 436.556 4.357 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N(Cc2ccccc2)CC2CCC2)cc1[N+](=O)[O-] 72030257 HXVZHSGGDHVYCQ-UHFFFAOYSA-N 437.525 4.317 5 20 IIBD COC(=O)c1cc(C(=O)Nc2nc3c(s2)C[C@H](c2ccccc2)CC3)cc([N+](=O)[O-])c1 72042982 VSGNOGYISGXJIW-CQSZACIVSA-N 437.477 4.363 5 20 IIBD CCN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@@H](C)c1cccc(C(F)(F)F)c1 97174755 PEBYITNJQRUCAW-ZDUSSCGKSA-N 433.390 4.418 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccccc1CN1CCSCC1 109483357 YYNZIOJPRCQKGF-UHFFFAOYSA-N 443.572 4.342 5 20 IIBD COc1cc(CNCC2(c3cccc(C(F)(F)F)c3)CCOCC2)c([N+](=O)[O-])cc1O 237375517 RLQZNXWYLYSPOF-UHFFFAOYSA-N 440.418 4.166 5 20 IIBD CCCN1CCC(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 247983492 HWUJNRFMUWEWRE-UHFFFAOYSA-N 430.936 4.465 5 20 IIBD Cc1cnc(Sc2nnc(N3C[C@H](C)C[C@@H](C)C3)n2Cc2ccco2)c([N+](=O)[O-])c1 301465226 WWLDZYJOSYAPEQ-HUUCEWRRSA-N 428.518 4.165 5 20 IIBD Cc1cnc([C@H](C)Nc2ccc(S(=O)(=O)NC3CCC(C)CC3)cc2[N+](=O)[O-])s1 301584228 VMMWMRMRCRYFHJ-BLZCZZARSA-N 438.575 4.390 5 20 IIBD CS(=O)(=O)c1cccc(N2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)c1[N+](=O)[O-] 301906808 ZKKLWVNMLBWUSY-ZDUSSCGKSA-N 445.324 4.353 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(NC[C@H](c2c(F)cccc2Cl)N2CCCC2)s1 301944343 ZGLDSCZWDBSNHL-CQSZACIVSA-N 447.941 4.101 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1ncc(Cc2ccccc2)s1 426191738 MMVAJKJHOXTHKL-UHFFFAOYSA-N 438.509 4.018 5 20 IIBD C[C@@H]1CCCCN1C[C@@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 426264016 PDKAMGINOAROFF-CVEARBPZSA-N 442.482 4.410 5 20 IIBD O=C(O)C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cnn(-c2ccccc2)c1 426752519 ANNPPMCRLMZYGI-NRFANRHFSA-N 432.436 4.346 5 20 IIBD CCOC(=O)c1sc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])nc1C 429061168 FSIXHIRPBIOVNR-UHFFFAOYSA-N 441.465 4.368 5 20 IIBD O=C(Nc1ccnn1Cc1ccc(Cl)c(F)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 429727017 ROGCFHGLDPKNRD-UHFFFAOYSA-N 429.839 4.222 5 20 IIBD COc1ccc(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])c(C(F)(F)F)c1 429783674 IRLAECGPASVMBV-UHFFFAOYSA-N 433.180 4.315 5 20 IIBD O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1 430023203 CVMZGCVCIIKWAP-AWEZNQCLSA-N 429.267 4.022 5 20 IIBD O=c1c([N+](=O)[O-])cc(Br)cn1Cc1csc(Cc2ccc(Cl)cc2)n1 432350210 CFPSOZKVTKCOOR-UHFFFAOYSA-N 440.706 4.268 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)NCc2c(C)c(C)c(C)c(C)c2C)cc1OC 435291047 SPYMGBNQSCCPNR-UHFFFAOYSA-N 430.501 4.101 5 20 IIBD O=[N+]([O-])c1ccc2nc(N3CCCN(c4nc(C(F)F)nc5ccccc45)CC3)[nH]c2c1 439642639 DVMDRWVKCWXVSW-UHFFFAOYSA-N 439.426 4.069 5 20 IIBD COC(=O)c1cccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1OC(C)C 439683960 QWYOYTFDUQIMPG-UHFFFAOYSA-N 427.457 4.365 5 20 IIBD COc1cc(OC)c2cc(CCCNC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)[nH]c2c1 440931335 UKPFRBRRIIQXMG-CQSZACIVSA-N 443.525 4.323 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H](c1ccncc1)c1ccc(Cl)cc1 441857370 LMIMECIDMRYEMV-FQEVSTJZSA-N 438.871 4.138 5 20 IIBD COc1cc(OC)c2cc(CCCNC(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)[nH]c2c1 443950432 VIYGIOQPTYSBBG-UHFFFAOYSA-N 426.473 4.464 5 20 IIBD CS(=O)(=O)c1ccc(Oc2cccc(CNC(=O)Nc3ccccc3)c2)c([N+](=O)[O-])c1 443963266 TVJUJXUGTKRXRS-UHFFFAOYSA-N 441.465 4.112 5 20 IIBD CCc1[nH]nc(C(=O)N(Cc2ccc(OC)c(OC)c2)[C@@H]2CCCC[C@H]2C)c1[N+](=O)[O-] 444341862 LSSIIHUOBBSLQX-RHSMWYFYSA-N 430.505 4.119 5 20 IIBD Cn1cc(-c2nc(C(=O)Nc3ccc(OCc4ccccc4)cc3[N+](=O)[O-])cs2)cn1 446425712 UHLLXFCQMTYEHN-UHFFFAOYSA-N 435.465 4.283 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1C[C@H](c2ccc(Br)cc2)C1 461892256 ZIMQHHARIRGGML-MQMHXKEQSA-N 425.304 4.119 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc(Br)cc2c1OCC2 462208410 JCGBTLMHWSBQGN-NSHDSACASA-N 437.315 4.089 5 20 IIBD CCOc1cc(NC(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)c([N+](=O)[O-])cc1OCC 462252895 LUMBZOBUPAKMEZ-QFBILLFUSA-N 429.473 4.434 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(CNc3ccc([N+](=O)[O-])c(OC(F)F)c3)cc2)C[C@H](C)O1 462377254 AIITYFULUHNOOG-KBPBESRZSA-N 435.427 4.058 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 462624097 MHHBTOZFZXNWLO-ZDUSSCGKSA-N 426.441 4.143 5 20 IIBD CC[C@]1(C)CCCN(C(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 464582059 KRYHVRWOVOOVSL-OAQYLSRUSA-N 431.514 4.048 5 20 IIBD CCCOc1ccc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1OCC 464665171 SAKTYDYYGFTHGC-UHFFFAOYSA-N 428.485 4.466 5 20 IIBD CC(C)N(Cc1ccc(Br)cc1)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 465170407 WDPNGFGVJUXRMK-UHFFFAOYSA-N 449.301 4.108 5 20 IIBD COc1cc(CCNC(=O)N2C[C@H](C)C[C@H]2c2cccc(F)c2)c([N+](=O)[O-])cc1OC 465619202 OXUQHWVVHIHLPZ-KDOFPFPSSA-N 431.464 4.086 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])NCc1ccc(Cn2cnc3ccccc32)cc1 465810008 KWGUZQAIRLPCDA-UHFFFAOYSA-N 429.480 4.035 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NC[C@]2(C)CCO[C@@H]2C2CC2)c([N+](=O)[O-])c1 466636697 VDUNDLVQZASDLD-VWNXMTODSA-N 438.480 4.230 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1nc2c(C(F)(F)F)cccc2s1 467105610 PMIMENNCSXLJRC-UHFFFAOYSA-N 439.371 4.176 5 20 IIBD C[C@@H](NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 467863848 MKPAFVMJEUZBCY-CYBMUJFWSA-N 441.347 4.260 5 20 IIBD CN(C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)C1(C(N)=O)CCCC1 467967949 IMCPLAOECTUBSW-UHFFFAOYSA-N 433.917 4.270 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C 468165879 UIEFFIYXAXSACG-QAPCUYQASA-N 428.537 4.153 5 20 IIBD COc1cc(S(=O)(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)ccc1[N+](=O)[O-] 468901534 JMRBWDHIIFAVAC-UHFFFAOYSA-N 439.449 4.136 5 20 IIBD O=C1C[C@@H](C(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)c2ccccc21 475933065 LIIUYQXPIMNHEJ-GOSISDBHSA-N 428.404 4.349 5 20 IIBD CCCCn1ccnc1-c1cccc(NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)c1 478631838 JNPGQSJSZNNGTM-INIZCTEOSA-N 435.484 4.015 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 479264465 VLJSCFTWBQMJGU-INIZCTEOSA-N 443.656 4.364 5 20 IIBD C[C@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1cccc(OCc2ccccn2)c1 479859287 DBUUKXPSGDPQSK-KRWDZBQOSA-N 443.463 4.246 5 20 IIBD COc1cc(CCNC(=O)CCc2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])cc1OC 479885933 WBYIDMUGSHZXMM-UHFFFAOYSA-N 427.284 4.210 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)c1C 479998556 ZEQGSOMWJVZUPX-UHFFFAOYSA-N 428.514 4.381 5 20 IIBD CC(C)(C)OC(=O)c1ccc(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c(F)c1 480852153 YFDVXMDUIHFOOX-UHFFFAOYSA-N 444.463 4.043 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 485967505 NKTJEHYXHGMMCM-LJQANCHMSA-N 441.553 4.425 5 20 IIBD COC(=O)C1(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CCCCC1 486114483 HJTUMVCLQRINCX-UHFFFAOYSA-N 426.469 4.027 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 487416055 SOFIYPNKXZARJD-KRWDZBQOSA-N 442.541 4.402 5 20 IIBD O=C(Nc1ccn(-c2ccccc2Cl)n1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 489046971 BZKBKUXGRUEIOO-UHFFFAOYSA-N 425.876 4.289 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 489992129 XRZMZZGPNIPBPU-AWEZNQCLSA-N 447.333 4.472 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 490135083 GCYVCBDUOWXKGX-IRXDYDNUSA-N 435.590 4.058 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1nnc(/C=C\c2ccco2)s1 490233869 BDNGHWFZZZIACT-QXMHVHEDSA-N 428.473 4.408 5 20 IIBD COc1cc(OC)c(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1Br 490928690 SSQDEJFJRBOKBW-VIFPVBQESA-N 427.226 4.256 5 20 IIBD O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 493440408 AJZGLZYKHODPJH-QFIPXVFZSA-N 435.480 4.334 5 20 IIBD Cc1ccsc1C(=O)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])cc1 497557847 FNIYGCUZPXAOEC-UHFFFAOYSA-N 432.479 4.413 5 20 IIBD CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](CO)c1cccc(Br)c1 499245855 PQECHJQMEIOCHE-HNNXBMFYSA-N 428.670 4.208 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cnc(-c4cccc(O)c4)nc3)cc2[N+](=O)[O-])C1 503096994 TXJPITMRALYXDE-HZPDHXFCSA-N 447.495 4.492 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H]1c1nc2ccccc2n1C 503140434 LGMISEDWKOOABZ-SUMWQHHRSA-N 428.876 4.266 5 20 IIBD CCOc1cc(C(=O)Nc2cnc(N3CCCC[C@@H]3C)c(C)c2)c([N+](=O)[O-])cc1OC 503226887 AUDCKZZTGOERQX-HNNXBMFYSA-N 428.489 4.337 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 504805133 IUJZLUNOVJSHEV-ZDUSSCGKSA-N 426.300 4.475 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCOc2c(-c3ccccc3)cccc21 505091401 VZYYZECKBHJGTG-ZHRRBRCNSA-N 445.475 4.020 5 20 IIBD CC(=O)Nc1cccc(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 507071812 ONSZJKYJEMYNTO-OAHLLOKOSA-N 433.468 4.051 5 20 IIBD COCCN([C@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] 508001733 RSLSVVCKNVRAQE-CQSZACIVSA-N 446.447 4.320 5 20 IIBD Cn1cc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c(C(F)(F)F)n1 508302024 SIDWSCAHVOGZFH-UHFFFAOYSA-N 449.176 4.092 5 20 IIBD CCOc1cc(NC(=O)N2CCC(Oc3ccccc3)CC2)c([N+](=O)[O-])cc1OCC 510408591 CAAXWRRQLYLODH-UHFFFAOYSA-N 429.473 4.468 5 20 IIBD CCc1cc(=O)c2cc(NC(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)ccc2[nH]1 512544804 PBHZLBOYWSRBRQ-UHFFFAOYSA-N 445.479 4.113 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)Nc2cccc(COC3CCCCC3)c2)cc1[N+](=O)[O-] 513305745 XUALRPYQPUXSNA-UHFFFAOYSA-N 432.498 4.100 5 20 IIBD CCOc1cc(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)ccc1OCc1cccnc1 513349437 YTCHQPIYMDWYIN-UHFFFAOYSA-N 435.480 4.282 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(S(=O)(=O)NC(C)C)c2)no1 516213258 MBQGWVPKBGJGAW-INIZCTEOSA-N 444.513 4.068 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 516381953 XFIGBWDEVVQZLU-CZUORRHYSA-N 449.891 4.254 5 20 IIBD O=C(NC1CCCCC1)c1ccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1 520000084 WXQXZBONBLKAKG-UHFFFAOYSA-N 433.468 4.095 5 20 IIBD COc1ccc([C@@H]2CCCN2C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 520445235 LLSBLBNVUKNXFV-BBRMVZONSA-N 434.876 4.396 5 20 IIBD O=C([C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N(Cc1ccccc1)CC1CCC1 521954240 HNZYQTNUCWEFGD-SFHVURJKSA-N 427.526 4.090 5 20 IIBD Cc1ccc(NCCCNC(=O)N(Cc2ccccc2)CC2CCOCC2)c([N+](=O)[O-])c1 524806614 VHFFVJOMBQSIFP-UHFFFAOYSA-N 440.544 4.344 5 20 IIBD Cc1cccc(N2CCN(Cc3ccc(NC(=O)Cc4cccc([N+](=O)[O-])c4)cc3)CC2)c1 525658930 XPDQSOFGVCJFAX-UHFFFAOYSA-N 444.535 4.407 5 20 IIBD COC(=O)CCSc1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 533737578 UOWZXYAYYGBYRH-GFCCVEGCSA-N 438.889 4.309 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnn1Cc1cnn(-c2ccccc2)c1 534001689 PZQVVFREAJPZDM-MRXNPFEDSA-N 448.508 4.145 5 20 IIBD CC[C@H](NC(=O)c1cc(SC)ccc1[N+](=O)[O-])[C@H](c1ccc(C)cc1)n1cncn1 535206845 UNSVWMWADZTPRT-ICSRJNTNSA-N 425.514 4.015 5 20 IIBD COc1ccc(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1OC1CCCC1 538760645 BIOWDHCJJMNONZ-UHFFFAOYSA-N 426.516 4.002 5 20 IIBD O=C(Cc1cccc(OCc2cccnc2)c1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 540030479 SWNMOJJUUIJLPJ-UHFFFAOYSA-N 429.436 4.140 5 20 IIBD C[C@@H](C(=O)NC1CCN(c2nc3ccccc3s2)CC1)c1ccc([N+](=O)[O-])cc1F 542593828 RUTSBBRMMOJODT-CYBMUJFWSA-N 428.489 4.232 5 20 IIBD COc1cc(OC)c(-c2noc([C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1OC 546231816 OOIYHHPYSKRRQP-SNVBAGLBSA-N 435.820 4.464 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1nc(-c2ccc(Br)cn2)cs1 550105097 JFMUOASRNBOJBZ-UHFFFAOYSA-N 433.287 4.447 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1Cn1cnc2ccccc21 550714774 GJJFZNDYDLSRMM-AWEZNQCLSA-N 443.301 4.320 5 20 IIBD O=C(c1ccc(Br)cc1)N1CCC[C@H]1c1nc(-c2cccc([N+](=O)[O-])c2)no1 554788201 FUOMKXUZVNXNCC-INIZCTEOSA-N 443.257 4.385 5 20 IIBD O=[N+]([O-])c1ccc(-c2ncn(Cc3cc(Br)ccc3OC(F)F)n2)cc1 555537478 GIGLOMJNZNLKAE-UHFFFAOYSA-N 425.189 4.266 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 558576621 KMSSOSFDZRHGAA-JOCHJYFZSA-N 432.517 4.302 5 20 IIBD CC(C)c1noc(Cc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)n1 559156570 QMPBWRDEHDSXLM-UHFFFAOYSA-N 436.877 4.146 5 20 IIBD O=C(c1cnc2ccccc2c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 561070129 PVCCFAVHADTAMH-UHFFFAOYSA-N 430.386 4.124 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3cccc4c3OC(C)(C)C4)CC2)ccc1[N+](=O)[O-] 569998101 IMNAHZYWGQTWTM-UHFFFAOYSA-N 440.500 4.061 5 20 IIBD COC[C@H](NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)c1cccc(Cl)c1 574118047 ANHTYPGYQPXMHY-FQEVSTJZSA-N 442.903 4.227 5 20 IIBD C[C@H](NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccc(Br)cc1F 580807029 PMHYHFXPTVJETE-NSHDSACASA-N 438.253 4.162 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 588138986 FGADUZNCFRSYNZ-KRWDZBQOSA-N 436.434 4.076 5 20 IIBD Nc1ncncc1-c1noc(-c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)n1 589147377 BGYLVCYCPAXWES-UHFFFAOYSA-N 426.845 4.489 5 20 IIBD Cc1cnc2c(c1)N(C(=O)C1CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC1)CC2 590610822 HZMSFAFATFWUGY-UHFFFAOYSA-N 434.418 4.123 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)Cc3cccc(F)c3)cc2)cc1[N+](=O)[O-] 603501766 DHIPSAMHOJUCFC-UHFFFAOYSA-N 443.456 4.024 5 20 IIBD COC(=O)c1sc2[nH]c(/C=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)nc(=O)c2c1C 603784342 KRNRVCXIJKVYBW-CLFYSBASSA-N 437.433 4.418 5 20 IIBD COc1cccc(Oc2ccc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1 604016087 BCRUZRWCPVBMFO-UHFFFAOYSA-N 435.436 4.154 5 20 IIBD COc1ccc(CNC(=O)C2(c3cccc(Br)c3)CCCC2)cc1[N+](=O)[O-] 604017964 KTJBDHHDGPCLKY-UHFFFAOYSA-N 433.302 4.494 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2c(c1)N(C(=O)C(C)(C)C)CCO2 604020420 MRLFWKJFMGTYHJ-AWEZNQCLSA-N 443.525 4.486 5 20 IIBD COc1cc(OCC(=O)NCc2ccc(OCc3cccc(F)c3)cc2)ccc1[N+](=O)[O-] 604456565 JNITZXSVSGOTHG-UHFFFAOYSA-N 440.427 4.017 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(Cc1ccccc1)Cc1ccc(F)cc1 608879609 ZHDVHXPVWQYPAE-QGZVFWFLSA-N 435.455 4.081 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc2c(C(F)(F)F)cccc2s1 608929208 OAEWNKPIKOUAIL-UHFFFAOYSA-N 433.389 4.033 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(OC3CCCCC3)nc2)cc1SC 609127085 SLBHUNVQVDXPPV-UHFFFAOYSA-N 431.514 4.362 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 609696213 OMRGGUJHOMIUBT-HOTGVXAUSA-N 431.920 4.357 5 20 IIBD O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 610118540 VMODZXYFTIXZTN-UHFFFAOYSA-N 443.503 4.101 5 20 IIBD COc1cc(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)cc([N+](=O)[O-])c1OC 610171339 XHDCGINNIJTYFQ-UHFFFAOYSA-N 435.408 4.190 5 20 IIBD CCOC(=O)c1ccc(CNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)o1 610632594 BZZKMUHAPDDAQZ-UHFFFAOYSA-N 425.397 4.479 5 20 IIBD Cc1cc(C)c(OCC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c(C)c1 610925177 VPHWKRZOILLGJE-LJQANCHMSA-N 428.485 4.098 5 20 IIBD O=C(CCCCc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 611072761 XIGXYDKBLGLRTR-UHFFFAOYSA-N 437.327 4.358 5 20 IIBD COC(=O)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1[N+](=O)[O-] 613112833 HWLAORSWIDISQY-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD COc1cc(-n2cccc2)c(Cl)cc1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1C 725943826 BLXXVPQEXVSIBN-UHFFFAOYSA-N 443.843 4.151 5 20 IIBD C/C=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2I)c(OC)c1 726319840 DPAZEUGEQZQUGK-ONEGZZNKSA-N 439.205 4.460 5 20 IIBD CO[C@@H](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 726547766 RVOKAFGHTXMFAM-SFHVURJKSA-N 425.529 4.209 5 20 IIBD CN(C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1cc(Cl)cc(Cl)c1 733227844 OHRZVYNHFREWCF-SNVBAGLBSA-N 426.231 4.057 5 20 IIBD CN1C(=O)CC[C@H](C(=O)OCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 734388886 KOJLWNSSTMNLOX-HKUYNNGSSA-N 436.386 4.267 5 20 IIBD O=C(COC(=O)c1csc(Cc2ccccc2F)n1)Nc1cc([N+](=O)[O-])ccc1Cl 735559930 YXJCEIVNUGJIRF-UHFFFAOYSA-N 449.847 4.230 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@H](C)Oc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] 744203408 IQTZJQSHJSJWCP-HNNXBMFYSA-N 432.448 4.112 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 744420991 ALSWREFZMLOVLP-CYBMUJFWSA-N 448.863 4.027 5 20 IIBD O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc(C2CC2)nc2ccc(F)cc12 745593743 VGULJEVKJKEPMN-OAQYLSRUSA-N 435.411 4.122 5 20 IIBD Cc1cc(C(=O)COC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c(C)n1Cc1cccs1 746606660 YFAHOLCYYLLYHB-UHFFFAOYSA-N 446.456 4.067 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCc3cccc(Br)c32)ccc1Cl 748694467 SZZMYNSKFIGOCJ-UHFFFAOYSA-N 431.695 4.152 5 20 IIBD CC(C)C[C@H]1CCCN1C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 748764471 JDRHTDSBZGLHCQ-QGZVFWFLSA-N 432.498 4.013 5 20 IIBD O=C(CCc1cscn1)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 751053181 HNBSKRZQAKUIQH-UHFFFAOYSA-N 431.857 4.495 5 20 IIBD O=C(NCc1ccc(OCc2ccccn2)cc1)c1cc([N+](=O)[O-])ccc1Br 751094420 UYBKNXPVEMTYLQ-UHFFFAOYSA-N 442.269 4.261 5 20 IIBD C[C@H](OC(=O)c1cccnc1C1CC1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 751759459 WOGFMLUXMMOEAQ-LBPRGKRZSA-N 438.465 4.175 5 20 IIBD C[C@@H](OC(=O)c1ccc(-c2nc(C3CC3)no2)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 751761128 LZCQNNYDYGNNET-GFCCVEGCSA-N 447.407 4.490 5 20 IIBD Cc1nc2c(s1)[C@@H](N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)CCC2 754965607 BOLUCIIYGUZLCU-LBPRGKRZSA-N 428.283 4.411 5 20 IIBD COc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F 754982091 KRWKOQUFLZFSOX-QMMMGPOBSA-N 431.203 4.233 5 20 IIBD CCO[C@@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C12CCCCC2 755011790 ALBXFBQOUGLHLA-HUUCEWRRSA-N 429.286 4.354 5 20 IIBD CC(C)(C)Sc1ccc(NC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 756317987 OWPSKFRDRPGZHP-UHFFFAOYSA-N 437.543 4.081 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)O[C@@H]1CCCN(C(=O)c2ccccc2Cl)C1 759337596 OPSUILPWOAVAFD-MRXNPFEDSA-N 441.871 4.120 5 20 IIBD O=C(O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1csc(Cc2ccc(F)cc2)n1 759948805 NYXPKYMWBBJOSN-IRXDYDNUSA-N 430.461 4.318 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1cc(=O)c(OCc2ccccc2)co1 760228732 DMFCIONOUXFNDV-OAHLLOKOSA-N 441.461 4.351 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)N[C@H](C)c1ccccc1OC 763815524 UYIARPNBAUAJCM-ZIAGYGMSSA-N 432.498 4.138 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)Nc1ccc(N2CCCCC2)cc1 766230994 IIDCUXNEQPYXJS-MRXNPFEDSA-N 448.479 4.317 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)cc([N+](=O)[O-])c1F 768274878 VQFKXLMAPIRRFF-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 771467516 QOGGVZXGOJRYKD-GOSISDBHSA-N 439.903 4.452 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1cc(Cl)nc(Cl)c1)c1ccccc1[N+](=O)[O-] 771582796 MDDNHOQGIQMPCH-ZDUSSCGKSA-N 426.256 4.109 5 20 IIBD Cc1cc(S(=O)(=O)NCc2nc(C)c(-c3ccc(Cl)cc3)o2)cc([N+](=O)[O-])c1F 771780324 LWLNPCZGPYSTKD-UHFFFAOYSA-N 439.852 4.138 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)Nc2cc(Cl)ccc2F)CC1 772413054 QMVWWPYRKAGJNW-UHFFFAOYSA-N 449.866 4.419 5 20 IIBD COc1ccc(C[C@H](C)C(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)cc1OC 773467920 LRXCAKHZYIQUQF-LBPRGKRZSA-N 438.274 4.297 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N[C@H]1CCOc2c1ccc(Cl)c2Cl 775013579 WKMNNWSFPYETEC-LBPRGKRZSA-N 436.255 4.101 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC(C(=O)C(F)(F)F)CC2)c([N+](=O)[O-])c1 775849476 PYJDIRDKKPCEJP-IBGZPJMESA-N 449.429 4.426 5 20 IIBD Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 778008133 CCSSTMRDWNYIEE-UHFFFAOYSA-N 434.399 4.125 5 20 IIBD O=C(OCc1ccccc1[N+](=O)[O-])/C(=C/c1cccs1)n1nnnc1-c1ccccc1 779920988 BJFJRKNHHCSBBL-UYRXBGFRSA-N 433.449 4.051 5 20 IIBD C[C@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc(-c2ccccc2)cs1 781631414 JWNATEBCEAUPKL-ZDUSSCGKSA-N 426.454 4.437 5 20 IIBD CCc1cc2c(COC(=O)c3cccc([N+](=O)[O-])c3Br)cc(=O)oc2cc1O 781676605 SWRRLNWJRALGBR-UHFFFAOYSA-N 448.225 4.089 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCc1nnc(-c2cc3c(s2)CCCC3)o1 784406499 MLWNBZQZVLAIDA-UHFFFAOYSA-N 438.465 4.352 5 20 IIBD COc1cc(OC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc(OC)c1OC 784768238 DAIJGINRLZUZEG-UHFFFAOYSA-N 439.420 4.419 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1[N+](=O)[O-] 785325849 GWXCJRCTISRAOE-UHFFFAOYSA-N 447.517 4.315 5 20 IIBD Cc1c(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cnc(Cl)c1Br 787439324 IZYYZVDKHRZKOS-UHFFFAOYSA-N 441.669 4.009 5 20 IIBD Cc1ccc(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c(OC[C@H]2CCCO2)c1 790562522 YDQITORPYBYAGP-MRXNPFEDSA-N 436.867 4.112 5 20 IIBD C[C@H]1CC(CCNC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C[C@H](C)O1 790853699 XYTIRGSBOUEBDF-STQMWFEESA-N 440.338 4.019 5 20 IIBD O=C(CCc1ccc(Br)cc1F)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 791794536 DMSHQRMDDANOFK-UHFFFAOYSA-N 427.182 4.081 5 20 IIBD Cc1ccc(NC(=O)[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc2)c(C)c1 794737481 BRGOMNVCDHQVCG-OAQYLSRUSA-N 448.435 4.230 5 20 IIBD C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 794805469 WUNJLYIWSTVLGG-KZULUSFZSA-N 425.363 4.484 5 20 IIBD Cc1nc(COC(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)n[nH]1 795295632 NOUBJLGZZYMPLP-XNTDXEJSSA-N 435.465 4.305 5 20 IIBD CSCc1ccccc1NS(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] 795347573 XPGYNIFKKGCLPX-UHFFFAOYSA-N 435.296 4.160 5 20 IIBD Cc1cc2cc[nH]c2cc1NS(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] 795350468 NYUREACCXQMGHK-UHFFFAOYSA-N 428.239 4.087 5 20 IIBD COc1cc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)c([N+](=O)[O-])cc1OC(C)=O 796733207 MWAXBZDSPOFKLQ-YVLHZVERSA-N 438.436 4.171 5 20 IIBD O=C(CCN(Cc1ccccc1)C[C@@H](O)c1ccsc1)Nc1ccccc1[N+](=O)[O-] 800351247 PYJAZSZRMGOEDM-OAQYLSRUSA-N 425.510 4.221 5 20 IIBD COc1ccccc1[C@H](CC(C)C)OC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 809239596 FSRKJTMYLISWNB-FQEVSTJZSA-N 440.452 4.201 5 20 IIBD CNC(=O)OC[C@H]1CCCCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 809268505 BFXSUTNLYKMTEZ-MRXNPFEDSA-N 447.875 4.391 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)CC2)C1 811941274 AWJMEDYZYSVKPV-GOSISDBHSA-N 445.560 4.368 5 20 IIBD CCCCN1C(=O)CC[C@@H](c2nc(CCC(C)(C)[N+](=O)[O-])no2)[C@H]1c1ccccc1OC 812813536 KSLVXPRUKJYXBB-DYESRHJHSA-N 444.532 4.314 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(Cl)cc1Cl 814795920 PFGNWVRLXMPAJF-MRVPVSSYSA-N 437.688 4.356 5 20 IIBD Cc1ccc2nc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)ccc2c1 815396240 ZPYSJLPBWRGOQQ-UHFFFAOYSA-N 433.342 4.266 5 20 IIBD Cc1nc(COc2ccc(F)cc2)sc1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 818167991 OOTSSPLFLNGOCZ-UHFFFAOYSA-N 430.413 4.118 5 20 IIBD C[C@H](OC(=O)COc1cccc2ccccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 844161319 BSVLVTXPGWUICW-ZDUSSCGKSA-N 428.828 4.351 5 20 IIBD COc1cc(CN(C)C(=O)c2ccc(Br)c([N+](=O)[O-])c2)ccc1OC(F)F 857556447 UCRAFEGCIROFIP-UHFFFAOYSA-N 445.216 4.240 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)[C@H]1CSCCS1 903366170 KGFWSGJVYNSRTE-OAHLLOKOSA-N 438.552 4.287 5 20 IIBD O=C(N[C@@H](c1ccccc1)c1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 914490646 ALCKRWAVVUGTQL-QHCPKHFHSA-N 435.455 4.090 5 20 IIBD C[C@H]1CN(Cc2ccc(C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)cc2)C[C@H](C)O1 914781243 RDOLTTLMDFGBSY-HOTGVXAUSA-N 431.920 4.130 5 20 IIBD COc1ccc(CSCC(=O)O[C@H](C)C(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] 914916283 NYMFMHCUEQKIID-GFCCVEGCSA-N 438.889 4.060 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCCc1nc(-c2ccc(F)cc2)no1 915295334 UNZUSVQTDOLDEH-UHFFFAOYSA-N 432.839 4.419 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c2ccccc21 916064322 KIHSRHQUFUEUJS-HNNXBMFYSA-N 438.461 4.126 5 20 IIBD CCc1cc2c(COC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)cc(=O)oc2cc1O 916523139 INYLJOICWIUBOA-LBPRGKRZSA-N 429.450 4.193 5 20 IIBD COc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1NC(=O)c1ccccc1[N+](=O)[O-] 916828524 DSOFDSHNJJDTGF-UHFFFAOYSA-N 436.380 4.016 5 20 IIBD C[C@@H](c1cc2ccccc2o1)N(C)C(=O)COC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 918824313 FHBJZPHICNCXOV-AWEZNQCLSA-N 437.452 4.292 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)N(C)[C@H](C)c2cc3ccccc3o2)c1 918921661 SSBUNUCSXNPKST-CYBMUJFWSA-N 428.466 4.439 5 20 IIBD COC(=O)[C@@H](OC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1Cl 1116093367 RYQJOFJDCSHOBD-HWPZZCPQSA-N 428.224 4.126 5 20 IIBD O=[N+]([O-])c1ccccc1OCc1nnc(-c2cc(F)cc([N+](=O)[O-])c2Br)o1 1257769924 WBDVSLPTUJZREN-UHFFFAOYSA-N 439.153 4.034 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N[C@H](CCO)c1ccc(Cl)cc1 1336405490 FPHLLHFOPVQHCG-CYBMUJFWSA-N 438.811 4.077 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)NCCSc1ncc(C(F)(F)F)cc1Cl 1339005647 IGCUGHWZDOYYCK-UHFFFAOYSA-N 435.811 4.193 5 20 IIBD O=C(OCC(=O)c1ccc(Br)s1)c1cc(Br)cc([N+](=O)[O-])c1 1340698555 YLVXWRTUTYZYLA-UHFFFAOYSA-N 449.076 4.221 5 20 IIBD C[C@@](CO)(NCc1ccc([N+](=O)[O-])cc1Br)c1cccc(C(F)(F)F)c1 1347099083 SARZJDRMDXUAEH-INIZCTEOSA-N 433.224 4.373 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc(O)cc3F)CCC2)cc1)c1ccc([N+](=O)[O-])o1 1785751058 MDSNQBCOMOJBON-UHFFFAOYSA-N 439.399 4.094 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3sccc3F)cc2)CCC1)c1ccc([N+](=O)[O-])o1 1786519142 JIQRPXVLFIBAGO-UHFFFAOYSA-N 429.429 4.450 5 20 IIBD Cc1ccc([C@@H](C)C(=O)NC2(c3ccc(NC(=O)c4nc[nH]c4[N+](=O)[O-])cc3)CCC2)cc1 1788613538 RYHPKRLHGIZWTD-MRXNPFEDSA-N 447.495 4.178 5 20 IIBD COc1ccccc1C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1 1790229335 XXBUGHCWVJCTHZ-UHFFFAOYSA-N 435.436 4.258 5 20 IIBD Cc1ccc(/C=C/C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C3)s1 1802907290 GNRDAYQGNKGQPV-RGTDPURMSA-N 443.500 4.069 5 20 IIBD Cc1ccsc1C(=O)N1CCC2(CCCN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)C2)CC1 1805682151 IFNGLLHBMVTFTB-HWKANZROSA-N 443.525 4.116 5 20 IIBD CC(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[nH]n1 1816735205 XVXRHUAAVXTFME-INIZCTEOSA-N 441.513 4.495 5 20 IIBD CCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)[nH]n1 1821935532 XUMOCTKGMRJYBS-IBGZPJMESA-N 441.532 4.379 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCCC[C@H]1C1CCN(C(=O)C2(F)CCCCC2)CC1 1823613904 DSZXSTQDQNYKBP-KRWDZBQOSA-N 435.496 4.094 5 20 IIBD CC[C@H](C)[C@@H](C(=O)N1CC2(CCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)C1)c1ccccc1 1841002916 NUISJMLUNZYFOE-YADARESESA-N 449.551 4.171 5 20 IIBD C[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)Nc1ccc(F)c(F)c1 10723335 WYLSYIACSHFLFS-AWEZNQCLSA-N 436.414 4.003 5 20 IIBD CCOC(=O)c1cc(C(=O)OCc2csc(-c3ccc(OC)cc3)n2)cc([N+](=O)[O-])c1 10858489 XSGQAFPLBOXDFT-UHFFFAOYSA-N 442.449 4.261 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc2)c([N+](=O)[O-])c1 11466268 XIVIWYQTNMERRV-QFIPXVFZSA-N 449.419 4.277 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)c1ccc(SC)c([N+](=O)[O-])c1 16913386 PUZWTYUTYFEZPX-NSHDSACASA-N 438.889 4.471 5 20 IIBD C[C@@H](OC(=O)CSc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(Br)c1 18438105 UNUQVYHZUWMHDZ-LLVKDONJSA-N 439.287 4.020 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(COc2cccc(F)c2)c1 26008618 XEZCQPKADJWLBI-HNNXBMFYSA-N 437.427 4.070 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nnc(NCc2ccccc2)s1 26363422 HWHPPRKMERYKHP-UHFFFAOYSA-N 445.526 4.188 5 20 IIBD O=C(Nc1cccc(COCCc2ccccc2)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 65092897 CTXXKNMUBPICTO-UHFFFAOYSA-N 434.448 4.378 5 20 IIBD COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cc1 105627462 MTNSOLLOEDYENX-UHFFFAOYSA-N 428.466 4.008 5 20 IIBD C[C@H](CN1CCN(c2ccccc2)CC1)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 237673122 IDZHGESNSWNYCB-GOSISDBHSA-N 437.569 4.019 5 20 IIBD CCS(=O)(=O)c1ccc(N2CCC(Nc3ccc([N+](=O)[O-])c4cnccc34)CC2)cc1 301096526 MKTBFHSWUDCCBI-UHFFFAOYSA-N 440.525 4.018 5 20 IIBD O=C(c1cc(N2CCc3c(Br)cccc3C2)ccc1[N+](=O)[O-])N1CCCC1 301133368 VHVCGBILNZUQKE-UHFFFAOYSA-N 430.302 4.156 5 20 IIBD COc1ccc([C@@H](Nc2ccc([N+](=O)[O-])cc2F)c2cccc(S(C)(=O)=O)c2)cc1 301473713 RGOJJRORZCZNBX-OAQYLSRUSA-N 430.457 4.348 5 20 IIBD CS(=O)(=O)c1cccc(NCc2ccc(-c3nc4ccccc4s3)o2)c1[N+](=O)[O-] 301868523 DYBCIXWTJOABNQ-UHFFFAOYSA-N 429.479 4.480 5 20 IIBD CCOc1cc(N2CCCN(Cc3cn4cc(Cl)ccc4n3)CC2)ccc1[N+](=O)[O-] 301954672 KQACPFDIXUBXBR-UHFFFAOYSA-N 429.908 4.007 5 20 IIBD C[C@H]1C[C@@H](C)CN(Cc2ccccc2CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 302611387 FAALXBZTICFTCF-CALCHBBNSA-N 431.558 4.088 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1SC 303713695 UTXZWOOPIPZSLX-UHFFFAOYSA-N 432.342 4.282 5 20 IIBD O=C(O)[C@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1cccc(Cl)c1 426705453 WNJMPINNWYQGPS-HNNXBMFYSA-N 431.901 4.405 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCc2ccc(-c3ccccc3)cc21 427415860 RFMWJEPHWINDCG-FQEVSTJZSA-N 431.448 4.013 5 20 IIBD COC(=O)[C@H](NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)c1ccc(F)c(C)c1 428369152 HJSIYOYIJYAUCR-OAQYLSRUSA-N 428.416 4.315 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC(c2ccncc2)CC1 428540835 CZFUQSMTRIXSRS-UHFFFAOYSA-N 437.422 4.010 5 20 IIBD Cc1cc(OCC(=O)Nc2ccc(CC(=O)N(C)c3ccccc3)cc2)ccc1[N+](=O)[O-] 430398127 IARWJONYWMQCIH-UHFFFAOYSA-N 433.464 4.126 5 20 IIBD C[C@@H]1C(=O)N(Cc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)C(=O)N1C1CC1 431229628 FCGZZDNJNPETCK-LLVKDONJSA-N 433.823 4.495 5 20 IIBD CCN([C@@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F 431839490 CXNCDYLIURUDCV-NRFANRHFSA-N 429.473 4.238 5 20 IIBD C[C@H](CC(=O)c1ccco1)NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 434297621 QHLOYGSQIYSEFM-SNVBAGLBSA-N 437.239 4.072 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccccc2CN(C)c2ccccc2)cc1[N+](=O)[O-] 434807544 FXPDOVNOBZVGJT-SFHVURJKSA-N 446.507 4.356 5 20 IIBD Cc1ccccc1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435525717 FQBIQWMELCRACZ-UHFFFAOYSA-N 427.507 4.371 5 20 IIBD CO[C@]1(C)C[C@@H](N(C)C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1(C)C 436333989 DNHHIRHAEMMDKI-ZFUCPZCZSA-N 426.517 4.439 5 20 IIBD CC(C)[C@@H]1CN(C(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)CCS1 437203998 WNBXCZROLZMMJE-NRFANRHFSA-N 441.553 4.105 5 20 IIBD O=C(Nc1ccc(F)cc1)C1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 437251945 DAEJMHPKUPKCHA-UHFFFAOYSA-N 439.365 4.244 5 20 IIBD C[C@H](NC(=O)N[C@H](C)[C@H](OC1CCOCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 437404536 CASBHUAVRCHQSQ-JKSBSHDWSA-N 427.501 4.280 5 20 IIBD CC(C)[C@@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 439650547 FEGHOKDFFBQOLL-LJQANCHMSA-N 437.418 4.247 5 20 IIBD COc1cc(OC)c2cc(CCCNc3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])[nH]c2c1 441804480 UNCXHALSURRXTB-UHFFFAOYSA-N 438.484 4.030 5 20 IIBD Cc1ccc(CN(Cc2ccco2)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])c(Br)c1 443047231 LNSMJIVKPFOWDJ-UHFFFAOYSA-N 433.262 4.133 5 20 IIBD CC(C)NC(=O)c1ccc(N2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c([N+](=O)[O-])c1 443892685 ZAZKUWIFYYXVOM-OAHLLOKOSA-N 426.448 4.397 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444309530 BSZJZYOFAHEWKC-UHFFFAOYSA-N 425.803 4.312 5 20 IIBD COc1cccc(-c2nc(=NC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)s[nH]2)c1 444710789 VWGMGGMETKYUHL-UHFFFAOYSA-N 446.463 4.022 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N1CCC(c2nc3ccccc3[nH]2)CC1 444825244 BQMGHKAJHTYZNU-UHFFFAOYSA-N 435.303 4.315 5 20 IIBD Cc1ccc2nc([C@@H]3CCCN3C(=O)Cc3ccc([N+](=O)[O-])cc3Br)[nH]c2c1 446104063 HWUPROZRLWYBCT-SFHVURJKSA-N 443.301 4.448 5 20 IIBD CCc1c(NC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cnn1-c1ccccc1Cl 446255024 GKDVIWRMZNYPFF-UHFFFAOYSA-N 439.863 4.194 5 20 IIBD C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c2cc(Cl)ccc2O1 446997934 XAEBSDQZMYQROJ-SECBINFHSA-N 436.795 4.243 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCCC[C@H]2c2ccco2)c(Br)c1 447021935 BBPNUCHQPVLBSS-AWEZNQCLSA-N 429.292 4.256 5 20 IIBD O=C(CSc1ccc(Br)cc1[N+](=O)[O-])NCCc1c(F)cccc1F 447358064 XTLSFBLZVKRPET-UHFFFAOYSA-N 431.258 4.087 5 20 IIBD O=C(NC[C@H](O)Cc1ccccc1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 447385249 ODHQOXYFZYPRTH-GOSISDBHSA-N 426.856 4.374 5 20 IIBD Cc1ccccc1[C@H]1CN(C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)[C@H](C)CO1 460399735 JJUYZCNJEWPFIC-UZUQRXQVSA-N 448.523 4.367 5 20 IIBD Cc1c(CN[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)cc2F)cccc1[N+](=O)[O-] 462179213 VXSPYHAUGZLIDR-JOCHJYFZSA-N 446.475 4.464 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(Cc2nc3ccccc3s2)CC1 462411178 WUNAIORIZXGLND-GOSISDBHSA-N 438.553 4.118 5 20 IIBD C[C@@H](Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)c1ccc(NC(=O)NC2CC2)cc1 462488271 HWQJNORRCHQVBE-MRXNPFEDSA-N 447.495 5.026 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@H](n2cccn2)Cc2ccccc21 464422798 SGXIDLWEJJUCSQ-WMLDXEAASA-N 426.860 4.043 5 20 IIBD CCOc1ccccc1OCCCC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464633580 RUIWMSOBCXPDLJ-UHFFFAOYSA-N 428.485 4.223 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 466280712 MFYIEWQGGJECRF-CZAAIQMYSA-N 441.915 4.338 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC1CC(c2ccc(F)c(Cl)c2)C1 467861666 FFOVCBIUNGPAHD-UHFFFAOYSA-N 447.850 4.138 5 20 IIBD CS[C@@H](CO)[C@@H](C)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 467935527 OSIVOXJWZJKLQO-BZNIZROVSA-N 426.947 4.242 5 20 IIBD CCCCc1ccc([C@H](NC(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)C(C)C)cc1 468143458 HEBIEKGGGYHKLT-OAQYLSRUSA-N 447.557 4.020 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1ccccc1Oc1cccc(C)c1 468755894 AEALFFVVIMCSAG-IBGZPJMESA-N 437.500 4.244 5 20 IIBD Cc1ccc([C@@H]2OCCC[C@H]2Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)cc1 470882472 ZOKRFWVMBNAODQ-IRLDBZIGSA-N 445.541 4.020 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1c1nc(C(=O)OC)c(C)s1 471326327 HLVFORGCCCWCDM-NVXWUHKLSA-N 431.514 4.079 5 20 IIBD CCOc1ccc(-n2c(Sc3ccc([N+](=O)[O-])c(C)n3)nnc2-c2ccncc2)cc1 471623460 ASHWAIDFYPZKPW-UHFFFAOYSA-N 434.481 4.491 5 20 IIBD C[C@@H](CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 472617445 RPIRHXKYNCLUFG-NSHDSACASA-N 427.354 4.001 5 20 IIBD C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 474738549 MXSKEOHAUZSDPO-OLZOCXBDSA-N 435.933 4.090 5 20 IIBD CS(=O)(=O)c1cc(C(=O)N2CCC(c3cccc4ccccc34)CC2)cc([N+](=O)[O-])c1 476177122 VSOZRSKFJGCAMY-UHFFFAOYSA-N 438.505 4.171 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 477055997 GJNPPIBYQRDCMY-NRFANRHFSA-N 440.477 4.066 5 20 IIBD O=C(Cn1cc(Br)c(=O)c([N+](=O)[O-])c1)N(C1CCCCC1)C1CCCCC1 477403057 HFDWYVNOAUYPNX-UHFFFAOYSA-N 440.338 4.013 5 20 IIBD C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)N2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)o1 478091336 XQAKSHSQXHNZPO-BZZMCLGOSA-N 449.511 4.030 5 20 IIBD CC[C@@H](O)CCNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 478908497 ZWEVQLFELNBPLO-BBLCHGJFSA-N 425.510 4.412 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 481885964 JDRDXKZYQXUTEC-PKTZIBPZSA-N 448.567 4.322 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cccc(CSC2CCOCC2)c1 481950012 AOOKBQJWZOQWEM-UHFFFAOYSA-N 436.555 4.425 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 482000571 UBELRNMVWRQCOU-UHFFFAOYSA-N 440.525 4.229 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2ccnc(OC3CCCCC3)c2)cc1SC 483496138 OHPWDMZOKGDMEV-UHFFFAOYSA-N 431.514 4.362 5 20 IIBD COc1cc([C@@H]2Nc3ccccc3C(=O)N2CC(C)C)c([N+](=O)[O-])cc1OCC(F)F 484920039 VQUIMOPQKGXYBL-HXUWFJFHSA-N 435.427 4.470 5 20 IIBD CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccc(F)cc1Br 485002735 HOHRFTORZFGTPL-UHFFFAOYSA-N 430.661 4.220 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 485360470 ZZLPNJVPIZBRNN-HNNXBMFYSA-N 432.527 4.395 5 20 IIBD Cn1cc(CCNC(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)cn1 485507051 SDNIVDBILYMJTJ-LDADJPATSA-N 447.520 4.228 5 20 IIBD COc1cc(CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1 485867621 HKJDFGYMODIIHA-UHFFFAOYSA-N 442.493 4.003 5 20 IIBD COC(=O)c1cc(NC(=O)c2cccc(C(=O)N(C)CC(C)(C)C)c2)c(C)c([N+](=O)[O-])c1 485983648 RMKOBYYRMUFLFN-UHFFFAOYSA-N 441.484 4.060 5 20 IIBD Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 488252517 PUXILWJFJIURSQ-OKILXGFUSA-N 435.484 4.150 5 20 IIBD COC[C@H](C)n1ccc(N[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)n1 488339441 WYLLIAKZRLLZPF-XOBRGWDASA-N 443.891 4.444 5 20 IIBD Cc1cc(N2CCCCCC2)ccc1NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 489332601 OLCRKOADXVGDNM-UHFFFAOYSA-N 426.521 4.349 5 20 IIBD COc1cc([C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C(F)(F)F)cc(OC)c1OC 491649731 PRXLZOKDMFAFGF-MRXNPFEDSA-N 448.781 4.307 5 20 IIBD CCN(CC)Cc1ccc(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 494212269 LHLPRSVNJYCFFT-UHFFFAOYSA-N 438.450 4.455 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(C2CCC2)cc1 495135319 FQAHZJVDXWNQQD-NRFANRHFSA-N 441.553 4.030 5 20 IIBD CCN(C(=O)COc1ccc([N+](=O)[O-])c(OC)c1)[C@H](c1ccc(C)cc1)c1cccnc1 496576373 YWSHSJOQNNAXPO-XMMPIXPASA-N 435.480 4.324 5 20 IIBD Cc1cc(S(=O)(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)sc1Br 497950172 LENWIUTYXHCGKE-CQSZACIVSA-N 449.373 4.164 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2cccc(OCCN(C)C)c2)cc1[N+](=O)[O-])c1ccccn1 500103942 FHTOAESIXUUINA-QGZVFWFLSA-N 449.511 4.356 5 20 IIBD O=C(CCc1ccco1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 500745446 GVGJJDVHAFWRQK-UHFFFAOYSA-N 425.510 4.193 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O 503112161 PPRJPSLHTZITQQ-INIZCTEOSA-N 433.917 4.286 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)c2ccc(C)cc2)CC1 504068183 CMRBWPWHNOBCNO-UHFFFAOYSA-N 427.526 4.004 5 20 IIBD CCOc1ccc([C@H](C)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1[N+](=O)[O-] 504928484 BKYQMUAADCBJLH-KRWDZBQOSA-N 447.557 4.019 5 20 IIBD COC[C@@H](C)n1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2C)nnc1-c1ccccc1 508776985 BUWBURIMAKJNMM-CQSZACIVSA-N 441.513 4.100 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC1(c2ccc(Cl)cc2)CCCCC1 509091803 CFAGEGGXEDTSAI-UHFFFAOYSA-N 429.860 4.132 5 20 IIBD COc1cc(C(=O)N(C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)ccc1[N+](=O)[O-] 511772671 RXGVLVMLAKODNJ-UHFFFAOYSA-N 426.391 4.434 5 20 IIBD CCOC(=O)C1CCC(N(CC)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 511954749 UCDPGRUMBZZRJG-UHFFFAOYSA-N 431.514 4.302 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2nc(CN3CCCCC3)cs2)cc1[N+](=O)[O-] 512256137 HXKKJBDXDBGAAP-UHFFFAOYSA-N 439.335 4.360 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(Cn2cnc3cc(F)c(F)cc3c2=O)cc1OC 513592216 NHITWZANVWSPBW-LBPRGKRZSA-N 433.411 4.065 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCN([C@H](C)c4cccnc4)CC3)c([N+](=O)[O-])c2)cc1 513758320 ACUHBIBMZSMMJF-LJQANCHMSA-N 445.523 4.434 5 20 IIBD CC1CCN(Cc2ccc(CN[C@@H](c3ccc([N+](=O)[O-])cc3)c3nccn3C)cc2)CC1 513761798 OTWVGCKEGYDNQY-DEOSSOPVSA-N 433.556 4.439 5 20 IIBD CSCC[C@H](N[C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1nnc2ccccn12 513788233 NIXQPBCBYZYAOH-WDSOQIARSA-N 425.558 4.433 5 20 IIBD C[C@H](c1cccnc1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 514151755 OEWKMWAZUOMLEO-GOSISDBHSA-N 432.480 4.301 5 20 IIBD CC(C)(C)C[C@@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccc(F)cc1 515416725 XTMWFOOKWQWPSA-LJQANCHMSA-N 429.496 4.138 5 20 IIBD O=C(NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 515808996 UUSCZZREHHLMKI-IBGZPJMESA-N 430.867 4.436 5 20 IIBD CCC(CC)[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1 517117307 UOIXTLFLURXIAN-GOSISDBHSA-N 435.427 4.428 5 20 IIBD C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 518024519 CKIUQPFKUKVPKZ-CEXWTWQISA-N 439.560 4.261 5 20 IIBD COc1ccc(CNCc2ccc(NC(C)=O)cc2)cc1OCc1ccc([N+](=O)[O-])cc1 520192536 JKARXFCOWHWPDB-UHFFFAOYSA-N 435.480 4.431 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCn2cccc2[C@H]1c1ccccc1 520473114 CZCSQLGQEXRKFY-YCRPNKLZSA-N 425.872 4.449 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1CNC(=O)Nc1ccccc1 523243368 GJHWJVFOQRFDQO-LPHOPBHVSA-N 442.541 4.278 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 523376363 LYZCUUINEAAPEG-HNNXBMFYSA-N 442.472 4.282 5 20 IIBD CCCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H](C)C(=O)Nc1ccccc1 523506886 RGMZLZKKBIIZEE-ZDUSSCGKSA-N 434.290 4.237 5 20 IIBD COc1cc2nc(C)sc2cc1NC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 524206892 TUQXALTYONVDPX-UHFFFAOYSA-N 433.511 4.402 5 20 IIBD O=[N+]([O-])c1cccc(-c2ncn(Cc3ncc(-c4cccc(Br)c4)o3)n2)c1 525115920 GYLGBDVBHZIMJL-UHFFFAOYSA-N 426.230 4.319 5 20 IIBD O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCC(CCc2cccc(C(F)(F)F)c2)CC1 525186547 BYVADARAJNCRIV-UHFFFAOYSA-N 443.447 4.042 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 525599962 WNOVMIZPKOIOIK-DEOSSOPVSA-N 445.500 4.337 5 20 IIBD COc1cc(OCC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)ccc1[N+](=O)[O-] 531458812 JFJOCDJJJSCBJU-MRXNPFEDSA-N 435.274 4.108 5 20 IIBD COc1cc(CNc2ccc(N3CCCC3=O)cn2)c([N+](=O)[O-])cc1OCc1ccccc1 533253609 HCHXGIOWXNFBLB-UHFFFAOYSA-N 448.479 4.316 5 20 IIBD C[C@@H](NC(=O)C[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(Cl)cc1 534061051 LOZZEDBOQIHQHW-OSXTUODASA-N 447.900 4.029 5 20 IIBD Cc1ncc2c(n1)CCN(Cc1cn(-c3ccccc3)nc1-c1ccc([N+](=O)[O-])cc1)C2 535075226 OWRQPEWOOAAADM-UHFFFAOYSA-N 426.480 4.104 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2O)ccc1[N+](=O)[O-] 537728231 CXNJKSSFFUURIF-INIZCTEOSA-N 438.267 4.159 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(-c2ccc[nH]2)cc1 539322214 LDNGPOYCLBNXBP-FQEVSTJZSA-N 438.509 4.080 5 20 IIBD CCOc1cccc([C@H]2C[C@H]2NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 540504634 YNJUIXAINJQVNJ-FGZHOGPDSA-N 425.485 4.102 5 20 IIBD COC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc2ccccc2c1 541229852 UHIIARYWIXFJRE-GOSISDBHSA-N 443.253 4.155 5 20 IIBD Cc1cccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2O)c1I 542750660 IKEPQUSDFWEJOZ-UHFFFAOYSA-N 432.601 4.119 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccnn1Cc1ccc(Br)cc1 543126367 ZJHGHBIUEXSCTL-UHFFFAOYSA-N 447.314 4.333 5 20 IIBD CCc1ccc([C@@H](c2cccnc2)N(CC)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1 544713888 PZMKYZPAWYUQFL-QHCPKHFHSA-N 439.537 4.494 5 20 IIBD COc1cc(Cc2noc(-c3cc(NC(C)=O)cc(C(F)(F)F)c3)n2)ccc1[N+](=O)[O-] 546486535 WBSCSSQAUVCOGK-UHFFFAOYSA-N 436.346 4.221 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1C[C@H]2CCCCN2c2ccccc21 549940203 GXBMCLARSPFCEJ-CYBMUJFWSA-N 442.324 4.469 5 20 IIBD NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 557697025 KPLLFORZEXZQBF-LSDHHAIUSA-N 429.420 4.009 5 20 IIBD COC(=O)[C@]1(c2ccccc2)CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1 561078255 IEGOZWFYQDFSOQ-JOCHJYFZSA-N 428.510 4.052 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3nc(CC(F)(F)F)cs3)cc2)c(C)c1[N+](=O)[O-] 561706351 HOQCNJRRBGDSJQ-UHFFFAOYSA-N 439.419 4.270 5 20 IIBD Cc1nccn1CCCN(C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 564320301 AMXJFYJZOKGTPB-UHFFFAOYSA-N 430.512 4.475 5 20 IIBD Cc1c(NC(=O)NCc2cccc(-c3nc(CC(F)(F)F)no3)c2)cccc1[N+](=O)[O-] 569916554 OKMVZIGSLQFDIA-UHFFFAOYSA-N 435.362 4.380 5 20 IIBD COC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)[C@H]1CCCO1 574307437 PUWOMBFUTNMIBO-QZTJIDSGSA-N 436.917 4.323 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2ccc(F)c(OC)c2)CC1 580049747 JJHKZROLAFKKRC-UHFFFAOYSA-N 433.505 4.207 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1[C@@H]1CCCO1 586833848 BTARLTFIUFMQQN-GOTSBHOMSA-N 446.507 4.160 5 20 IIBD C[C@H](NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(-c2ccncc2)cc1 588774941 YLWKZVZKTSIIJK-KRWDZBQOSA-N 444.491 4.025 5 20 IIBD CC(C)(C)CCOc1cnccc1CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 588793782 GTVZOSMTOPZNAW-UHFFFAOYSA-N 440.544 4.338 5 20 IIBD CC(=O)N1C[C@H]2[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3SC3CCCC3)CCC[C@H]2C1 589101134 SMRQNSRDUCMLBT-BEVDRBHNSA-N 431.558 4.006 5 20 IIBD O=C(NC[C@@H](CO)Cc1ccco1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 603552023 ZRBJGHVUOAAZTF-HNNXBMFYSA-N 443.887 4.034 5 20 IIBD CCCOc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c([N+](=O)[O-])cc1OCCC 603570663 VMTGAVLRKQMUEZ-MRXNPFEDSA-N 441.484 4.164 5 20 IIBD O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 603867384 VUBAETJMEYNAMJ-LLVKDONJSA-N 439.697 4.261 5 20 IIBD O=C(Nc1cccc(-c2cn3cccnc3n2)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 603980721 QOCZWPVDLKIEIP-UHFFFAOYSA-N 442.479 4.160 5 20 IIBD O=C(Nc1nnc(-c2ccccc2Cl)s1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 604344025 ILIJQMIFGKDPQI-UHFFFAOYSA-N 426.845 4.205 5 20 IIBD COc1ccc(NC(=O)CCN(C)C[C@@H]2CCCO[C@H]2c2ccccc2)c([N+](=O)[O-])c1 604520803 RIBSAIXIUPZGFG-MBSDFSHPSA-N 427.501 4.032 5 20 IIBD Cc1nn(CCC(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)c(Cl)c2)c(C)c1[N+](=O)[O-] 608805019 RSCSMGXUSCOKDP-ZDUSSCGKSA-N 447.923 4.105 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H]2c2cccc(Br)c2)cc1OC 608809318 BOMCVUKGPLBJCG-HIFRSBDPSA-N 435.274 4.051 5 20 IIBD COC(=O)c1ccoc1COc1cccc2c1N(C(=O)c1ccc([N+](=O)[O-])s1)CCC2 608947538 QNCIHWJVRXQYAN-UHFFFAOYSA-N 442.449 4.208 5 20 IIBD CN(CCOc1cccc(CNc2ccc([N+](=O)[O-])c3cnccc23)c1)C1CCOCC1 609075107 FSFFQEMCHWMYBD-UHFFFAOYSA-N 436.512 4.245 5 20 IIBD CCCOc1cc(NC(=O)c2ccc(C(=O)N(C)C)cc2)c([N+](=O)[O-])cc1OCCC 609101837 IYKLNSLPGDMGOW-UHFFFAOYSA-N 429.473 4.127 5 20 IIBD CCc1sc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)nc1-c1ccc(OC)cc1 609202758 UOPPQEHXZRERBC-UHFFFAOYSA-N 441.465 4.313 5 20 IIBD O=C(CNc1ccc(C(F)(F)C(F)(F)F)cc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 609234406 RLHYBFANTICGPC-UHFFFAOYSA-N 433.289 4.028 5 20 IIBD O=C([C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1Cc2ccccc2-c2ccccc21 609500959 VERCNOVHFFQMBC-IBGZPJMESA-N 433.489 4.475 5 20 IIBD O=C(Nc1ccc(F)cc1)C1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 609724266 NAKXZVXWDJBLFZ-UHFFFAOYSA-N 449.866 4.034 5 20 IIBD C[C@H](C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)S(=O)(=O)c1ccc(F)cc1 609756193 ZXXZFKOUDHDRIQ-CQSZACIVSA-N 444.440 4.327 5 20 IIBD C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1cccc(Cl)c1Cl 609796134 ODXXDVCYMMZGAE-MFKMUULPSA-N 442.324 4.445 5 20 IIBD Cc1cc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)n(-c2ccc(C(F)(F)F)cn2)n1 609857387 IAFBOSUACZMJEL-UHFFFAOYSA-N 425.754 4.408 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCCc1nc(-c2ccc(Cl)cc2)no1 610100441 BWGYAOWJHMSFMJ-UHFFFAOYSA-N 443.891 4.163 5 20 IIBD COc1cc(CCNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)ccc1C 610155132 WXROLKPJVRXICW-KRWDZBQOSA-N 434.496 4.452 5 20 IIBD O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 610185720 QARKBDGKDHIMED-UHFFFAOYSA-N 428.297 4.454 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])N1CCc2[nH]c3c(Br)cccc3c2C1 610353603 BDUJFZCYPLFFPJ-UHFFFAOYSA-N 443.301 4.149 5 20 IIBD CC(=O)c1ccccc1NC(=O)COc1c([N+](=O)[O-])cnc2ccc(Br)cc12 612660845 DOMGYNUPQBMQGE-UHFFFAOYSA-N 444.241 4.126 5 20 IIBD Cc1ccc(NC(=O)[C@H](N[C@@H](CO)[C@@H](C)c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 613390775 YXFYBHDFDBWOIG-JKFKMHIGSA-N 433.508 4.337 5 20 IIBD CCCCCN(Cc1ccc(F)cc1)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O 726584080 SWQKUXRBNLDCDM-UHFFFAOYSA-N 428.464 4.152 5 20 IIBD Cc1ccc2nc(NC(=O)c3ccc(I)c([N+](=O)[O-])c3)sc2c1 727747240 CAPJSAOEABOASO-UHFFFAOYSA-N 439.234 4.370 5 20 IIBD CC(C)(C)c1cc[n+](/C(C(=S)NC2CCOCC2)=C(/O)c2cccc([N+](=O)[O-])c2)cc1 727814448 WAGLYUSQPQBSMX-UHFFFAOYSA-O 442.561 4.160 5 20 IIBD Cc1cc(SC(C)(C)C)ccc1NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 728263022 OVBFUCGIKBXQMW-UHFFFAOYSA-N 438.527 4.366 5 20 IIBD Cc1ccc2oc(C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2n1 729725931 YCOOBFANBCBJEW-JTQLQIEISA-N 437.330 4.247 5 20 IIBD C[C@H](c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1)N1CCOCC1 730085889 PBYBAUSAXVYXKL-GOSISDBHSA-N 438.528 4.231 5 20 IIBD COC(=O)C1CCC(NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 730107980 ZDKNGPKEMLJGNS-UHFFFAOYSA-N 434.496 4.269 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 730138754 IVUSHXBDDSIJEE-GOSISDBHSA-N 434.537 4.162 5 20 IIBD COc1ccc(/C=C(\Cl)c2nnc(C(=O)NCc3ccc(C)cc3)s2)cc1[N+](=O)[O-] 730149914 MCVJRLACUFHRLY-DHDCSXOGSA-N 444.900 4.430 5 20 IIBD CC1CCN(c2ccc(NC(=O)CCC(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)cc2)CC1 730278191 ITGORSWEVFLIKW-GOSISDBHSA-N 438.528 4.427 5 20 IIBD COc1ccc2oc([C@@H](C)NC(=O)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c(C)c2c1 730387816 NVQKXBRXAAQKDL-LLVKDONJSA-N 431.832 4.127 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])c2ccccc2)cc1 731733889 PYBRMIWERRPFRW-QHCPKHFHSA-N 448.431 4.018 5 20 IIBD CCOc1c(C)cc(COC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1C 732502561 YOXPNPFJXBEQOI-MRXNPFEDSA-N 432.498 4.020 5 20 IIBD O=C(Nc1ccc(Oc2ccc(Cl)nn2)cc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 733245710 VRGBQFVTDQXISW-UHFFFAOYSA-N 436.815 4.269 5 20 IIBD CC1=C(C(=O)Nc2cccc(Cl)c2)[C@@H](c2cc(Cl)ccc2[N+](=O)[O-])NC(=S)N1 739667553 QDSBMLQOKVADLN-MRXNPFEDSA-N 437.308 4.333 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@](C)(O)c2cccs2)cc1 740162908 CVALIYKPSNSOPK-NRFANRHFSA-N 428.466 4.095 5 20 IIBD CC(C)(C(=O)OCC(=O)N(Cc1cccc(F)c1)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 740391083 ZUBPNYPLMVMLGQ-UHFFFAOYSA-N 430.476 4.382 5 20 IIBD COC(=O)c1ccc(OC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1 744038582 WEKZKHOLZTYHRL-UHFFFAOYSA-N 448.147 4.382 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 744676734 CCKBXSMXYDFFOZ-KRWDZBQOSA-N 441.484 4.469 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)C1CCC(c2ccccc2)CC1 745501686 OPOUEPOQQKXHLD-FAEJEUNOSA-N 426.469 4.448 5 20 IIBD COc1ccc(-c2ncc(C(=O)O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)s2)cc1 745556082 DKDHLZLOBYOOPD-ZDUSSCGKSA-N 441.465 4.219 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)cc1[N+](=O)[O-] 746581731 TZXXJACUMIDEQO-UHFFFAOYSA-N 426.360 4.177 5 20 IIBD CCN(Cc1ccc(C(F)(F)F)cc1)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O 747077425 WJWVRVLZJSVBDC-UHFFFAOYSA-N 432.402 4.317 5 20 IIBD C[C@H](OC(=O)[C@H]1C[C@H]1c1cccc(Br)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 747519931 HYLGVLXTAWUAGW-CQDKDKBSSA-N 433.258 4.031 5 20 IIBD Cc1c(C(=O)OCc2ccc(OCC(F)(F)F)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748944174 LCBCUGKJRHCKFY-UHFFFAOYSA-N 428.319 4.418 5 20 IIBD CSc1nc(C)c(CCC(=O)Oc2ccc(Cc3ccccc3)cc2[N+](=O)[O-])c(O)n1 749063441 YAULRPDMRCNGBM-UHFFFAOYSA-N 439.493 4.250 5 20 IIBD O=C(OCCn1cnc([N+](=O)[O-])n1)c1oc2ccccc2c1CSCc1ccccc1 749078475 ITRWWDDURRRYGC-UHFFFAOYSA-N 438.465 4.223 5 20 IIBD O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 750096147 NUZOHEPLYWAFCA-OALUTQOASA-N 438.311 4.428 5 20 IIBD C[C@@H](OC(=O)Cc1csc(-c2ccc(F)c(F)c2)n1)C(=O)Nc1cccc([N+](=O)[O-])c1 750164331 GJVRWXAHCIUXBD-LLVKDONJSA-N 447.419 4.109 5 20 IIBD C[C@@H](C(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1cnn(C)c1 750559412 DUSYJSSMIOFQCP-YJYMSZOUSA-N 442.859 4.008 5 20 IIBD O=C(Nc1ccc(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1)c1cccs1 751280683 VXSPVOVTZXYLNY-UHFFFAOYSA-N 437.886 4.363 5 20 IIBD COc1ccc(Br)c2[nH]c(C(=O)OCc3nc4cc([N+](=O)[O-])ccc4o3)cc12 751644440 KDVXCKLNSIOXGA-UHFFFAOYSA-N 446.213 4.345 5 20 IIBD COc1cc(S(=O)(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2C)ccc1[N+](=O)[O-] 753957290 MCHFDBGFYVQNSV-UHFFFAOYSA-N 437.474 4.060 5 20 IIBD C[C@H](C(=O)NCc1ccc(CCNC(=O)OC(C)(C)C)cc1)c1ccc([N+](=O)[O-])cc1F 754208047 BDLCVHCAVMVPQL-HNNXBMFYSA-N 445.491 4.221 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cc(-c2ccccn2)ccc1Cl 754998680 LMDJCLVKFRJXGU-UHFFFAOYSA-N 425.828 4.414 5 20 IIBD C[C@H]1C(=O)Nc2cc(C(=O)N(CC3CC3)c3ccc(Cl)c([N+](=O)[O-])c3)ccc2N1C 755260408 TXCXAZMYMOVRRP-LBPRGKRZSA-N 428.876 4.082 5 20 IIBD O=Cc1ccc(OCC(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)c([N+](=O)[O-])c1 756981294 LBWAJQAPONCRBH-UHFFFAOYSA-N 449.193 4.011 5 20 IIBD CCS(=O)(=O)CCN(C)C(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34 760056087 NYRLUCMEAMIMDI-UHFFFAOYSA-N 435.545 4.440 5 20 IIBD C[C@]1(c2noc(C3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)n2)CCCO1 763334453 ZSVZDBOPPPXLLS-GOSISDBHSA-N 426.395 4.406 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 765407995 POQOYYDEPRNSDY-MOPGFXCFSA-N 433.549 4.269 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@H](C)C[C@H](O)c3ccc(F)cc3)cc2[N+](=O)[O-])CC1 766726434 YYMFHAXMRNNOML-ZHRRBRCNSA-N 429.492 4.212 5 20 IIBD Cc1sc(S(=O)(=O)Oc2ccc(N(C)C(=O)OC(C)(C)C)cc2)cc1[N+](=O)[O-] 767798397 OYTXUIFZTAJIMR-UHFFFAOYSA-N 428.488 4.104 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@H](Cc2ccc(Cl)cc2F)C(C)=O)cc1SC 768680176 SQLPZMJBTIYFMD-MRXNPFEDSA-N 441.864 4.475 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)O[C@H](C)C(=O)Nc1ncc(Cl)cc1Cl 769887224 IIYRYGOQTDWFMZ-LLVKDONJSA-N 426.256 4.406 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(Br)cc1[N+](=O)[O-] 770331405 ULYACQLPJYNPBG-UHFFFAOYSA-N 445.023 4.280 5 20 IIBD O=C(Oc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 771480510 LHALEQCTMLURMO-MRXNPFEDSA-N 427.215 4.251 5 20 IIBD O=C(NCCSCc1ccnc(Cl)c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 777449953 RIBJPULSMGSXIS-UHFFFAOYSA-N 449.838 4.248 5 20 IIBD C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 780926908 SGNAGCHIBJUMEW-XUSGNXJCSA-N 440.421 4.341 5 20 IIBD Cn1c([C@@H]2CCCCN2C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc2ccccc21 781625441 XTOPGQWIGYIJGA-IBGZPJMESA-N 437.456 4.076 5 20 IIBD CC(C)[C@@H](OC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl 781734937 IRMOPQCABPEICD-LJQANCHMSA-N 449.847 4.296 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 783956390 FTRKQLZDVLLBEH-UHFFFAOYSA-N 433.833 4.073 5 20 IIBD Cc1c(NC(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)cccc1[N+](=O)[O-] 784771525 DUJCIFXYPXFYFT-UHFFFAOYSA-N 428.242 4.396 5 20 IIBD CCn1c(SCc2ccc(Br)c([N+](=O)[O-])c2)nc2ccsc2c1=O 788100504 XDWICOXBODDXOG-UHFFFAOYSA-N 426.317 4.441 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)O[C@H](C)C(=O)c2ccccc2C(F)(F)F)cc1[N+](=O)[O-] 789031454 GCMVTZSIJRVUCR-SNVBAGLBSA-N 426.303 4.258 5 20 IIBD Cc1cnc(COC(=O)[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)c(C)c1[N+](=O)[O-] 789440383 MMRCKSRWAAIWDB-BSFBHTCNSA-N 443.544 4.007 5 20 IIBD COC(=O)COc1ccc(CN2CCCCC[C@H]2C[C@@H](O)c2cccs2)cc1[N+](=O)[O-] 789515210 YNOSBJSHPJSFNM-PKOBYXMFSA-N 448.541 4.076 5 20 IIBD COc1cc(C(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)cc([N+](=O)[O-])c1C 790762107 YVIVDKGVOLITRF-UHFFFAOYSA-N 429.473 4.231 5 20 IIBD C[C@H](Nc1ccc(C(=O)OCC(=O)c2ccncc2Cl)cc1[N+](=O)[O-])c1ccccn1 791765890 ITOLNJDXBNSWCA-ZDUSSCGKSA-N 440.843 4.251 5 20 IIBD Cc1c(CNC(=O)Nc2ccc(OCCNC(=O)OC(C)(C)C)cc2)cccc1[N+](=O)[O-] 792359215 HBHFBTNDOALOSW-UHFFFAOYSA-N 444.488 4.128 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)CCc1c(C)nc2c3cccnc3nn2c1C 797045160 SUNJRXDJKPQERL-UHFFFAOYSA-N 439.859 4.303 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 798048444 ZIALJVVUIBZWAE-IINYFYTJSA-N 428.659 4.166 5 20 IIBD COC(=O)Nc1cccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1C 798054972 HQVITYALGXVNAJ-UHFFFAOYSA-N 427.335 4.275 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(C(=O)Nc2cccc(C)c2)C1 798542519 XRDKNJNBCVBNIQ-INIZCTEOSA-N 426.473 4.185 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1c(F)cc(C(F)(F)F)cc1F 811417564 YZZJNQZYSHENRD-MRVPVSSYSA-N 448.300 4.084 5 20 IIBD COc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)c3ccccc32)c([N+](=O)[O-])cc1OC 813279387 HCLDNXVCVKFSNP-UHFFFAOYSA-N 443.456 4.014 5 20 IIBD C[C@@H]1CN(Cc2cccc(CNC(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])c2)CCO1 813422525 FWSUTVPXKGUXJK-CYBMUJFWSA-N 438.311 4.052 5 20 IIBD O=C(O[C@@H](c1nc2ccccc2o1)C(F)(F)F)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 816061994 DRJFDWKWSHIYJP-INIZCTEOSA-N 432.314 4.382 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 816867656 UXYHXVWZBSBBQL-CQSZACIVSA-N 444.315 4.421 5 20 IIBD Cc1c(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 912411870 WWJFOPJKPKJWCR-LJQANCHMSA-N 432.864 4.032 5 20 IIBD COc1c([N+](=O)[O-])cc(NCCCCN2CCCC[C@@H]2C)c([N+](=O)[O-])c1Br 917073268 LOIKSEMSCGGBBS-LBPRGKRZSA-N 445.314 4.341 5 20 IIBD O=C(Nc1cc(N2CCCC2=O)ccc1F)c1cc([N+](=O)[O-])ccc1N1CCCCC1 917796225 AIUUNIVCMWQJBP-UHFFFAOYSA-N 426.448 4.103 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)OCc1nnc(-c2ccc(Cl)cc2Cl)o1 920526189 MWYPQJFFZNHFCV-UHFFFAOYSA-N 448.222 4.045 5 20 IIBD CN1CCN(c2ncccc2CNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 921189205 IENPGJMRLOZRMM-UHFFFAOYSA-N 429.830 4.026 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC(Nc2ccccc2Cl)CC1 1115963236 PMUVZNUQFJHTQQ-UHFFFAOYSA-N 430.313 4.167 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CCC(n2cc(Cl)cn2)CC1 1116515187 GMPKPZBLJQQPLQ-UHFFFAOYSA-N 448.104 4.338 5 20 IIBD COc1cc(COC(=O)c2cccc(-n3ccc(C)n3)c2)c([N+](=O)[O-])cc1OC(F)F 1318138978 SXEPFSQTWJUVGR-UHFFFAOYSA-N 433.367 4.056 5 20 IIBD Cc1ccc(CN2CCCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)cc1 1321737235 YIUJICUFKXQZIJ-UHFFFAOYSA-N 434.443 4.244 5 20 IIBD COc1cc(CCNC(=O)N2C[C@@H]3CCCC[C@@]32c2ccccc2)c([N+](=O)[O-])cc1OC 1323426760 GPRCFUTUIHAMFL-YADARESESA-N 439.512 4.265 5 20 IIBD CC(C)CC(=O)Nc1ccc(C2(NC(=O)Cc3cc([N+](=O)[O-])ccc3F)CCC2)cc1 1787662749 MWTGMFLEKYKYJS-UHFFFAOYSA-N 427.476 4.457 5 20 IIBD CCO/C=C/C(=O)Nc1ccc(C2(NC(=O)CCc3cccc([N+](=O)[O-])c3)CCC2)cc1 1791738445 KQNUUDCKUAWUKS-DTQAZKPQSA-N 437.496 4.212 5 20 IIBD Cc1cc(CCCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2CCCC2)c([N+](=O)[O-])cc1F 1795403707 QRBYJSQXSOBNRS-ACDBMABISA-N 445.535 4.193 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2ccccc2)cc1)c1ccc([N+](=O)[O-])[nH]1 1803828296 DQEOOFRDBXJUNC-WKCHPHFGSA-N 444.491 4.156 5 20 IIBD Cc1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)C3CCCC3)[nH]n2)cc1[N+](=O)[O-] 1820919386 SXGSUTWEAZQVTP-LJQANCHMSA-N 439.516 4.051 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@]2(C)C[C@H]2C)CC1 1830223359 IIHNTXIYTXQNAR-VNOPPTIDSA-N 445.535 4.322 5 20 IIBD C[C@@H](C(=O)N1CCCC12CN(C(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2)c1ccccc1 1847051113 AMUXDMSFWILOHG-MRXNPFEDSA-N 449.532 4.430 5 20 IIBD C[C@H](OC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C(=O)N1CCCCCC1 7196488 LNNNESGNCUJSTC-KRWDZBQOSA-N 425.485 4.155 5 20 IIBD C[C@@H](OC(=O)c1cc2c(s1)CCC2)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 9069484 ASMBOFSPCPZQBR-LLVKDONJSA-N 443.506 4.453 5 20 IIBD O=C(COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1c(F)cc(F)cc1Br 9765154 WMCNVCISORQTNZ-UHFFFAOYSA-N 449.591 4.084 5 20 IIBD CN(C(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)c1ccc([N+](=O)[O-])cc1 11018141 YFRPFWXJWIBBOU-UHFFFAOYSA-N 448.508 4.425 5 20 IIBD CCOc1cc(C(=O)NCCc2ccc(-c3csc(C)n3)s2)c([N+](=O)[O-])cc1OC 12396922 NLRQXIUIDFFPBZ-UHFFFAOYSA-N 447.538 4.468 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 15410919 QSJNADYACUOGBI-IAGOWNOFSA-N 425.485 4.324 5 20 IIBD Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 25733412 DPPRKJWANCPLML-GJZGRUSLSA-N 445.541 4.041 5 20 IIBD COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)cc1 32411259 OSQZAYIBASMOMI-UHFFFAOYSA-N 428.466 4.008 5 20 IIBD Cc1nc(-c2ccc(CCNC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)cc2)cs1 46695961 LASNFDDJKZJWNV-UHFFFAOYSA-N 433.493 4.185 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])NCC1(c2ccc(Br)cc2)CCC1 60417372 ROGRMQIMYKVISN-UHFFFAOYSA-N 433.302 4.364 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1I)N1CCC[C@H]1Cc1ccccc1 97293801 LZLRGAOVCPZNPH-AWEZNQCLSA-N 436.249 4.047 5 20 IIBD O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CCC(C2OCCO2)CC1 110406284 HRMVZLJUAABZIH-UHFFFAOYSA-N 445.903 4.085 5 20 IIBD Cc1ccccc1CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1I 112528104 PWOWRGQMXZUSAB-UHFFFAOYSA-N 438.265 4.259 5 20 IIBD O=C(NCC1(c2cccs2)CCCCC1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303771847 HEOZCKRGWYSRPT-OAHLLOKOSA-N 447.582 4.341 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1)[C@H]1CC[C@@H](C(F)(F)F)CC1 426474789 VOBFFWQOSCTJCE-PHIMTYICSA-N 429.424 4.057 5 20 IIBD COc1ccc(CN(C)C(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1O 427237907 RTGQWOUDLIOTQF-IYBDPMFKSA-N 427.501 4.064 5 20 IIBD CCn1ncc2c(C(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)cc(-c3ccccc3)nc21 427969004 XXEUVVMWSKKJAT-UHFFFAOYSA-N 443.463 4.061 5 20 IIBD Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)n2)c1 428361669 KPNYVKFNOFBZGK-ZDUSSCGKSA-N 426.502 4.075 5 20 IIBD CC(C)(NC(=O)c1ccc([N+](=O)[O-])cc1I)c1ccc(F)c(F)c1 430581824 PIMNWTKMGHRZHR-UHFFFAOYSA-N 446.191 4.143 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3ccc(OC(C)C)cc3)CC2)ccc1[N+](=O)[O-] 431872043 YHFJEIOMWJEBKK-UHFFFAOYSA-N 428.489 4.135 5 20 IIBD C[C@H]1CN(Cc2ccccc2NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H](C)O1 432649396 PWOHFBQLWFCKNJ-KBPBESRZSA-N 448.317 4.219 5 20 IIBD CN(C)[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1cccc(F)c1 435831052 MGGZGODNJIURKV-HXUWFJFHSA-N 439.437 4.131 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(CO[C@H]2CCC[C@H](C)C2)c1 438721590 KSVDQAGQGJFOKI-KXBFYZLASA-N 441.484 4.276 5 20 IIBD CC(C)c1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2N(C)C2CCN(C)CC2)cc1[N+](=O)[O-] 438943310 OCNUWDPHNCQBCU-FCHUYYIVSA-N 430.593 4.127 5 20 IIBD CC[C@@](C)(O)CN(Cc1ccccc1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 439095901 LDTVAFIZMUOGNX-GOSISDBHSA-N 447.340 4.254 5 20 IIBD Cc1ccc(Cc2cnc(NC(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)s2)cc1C 441848059 TWADIYKRMCTVGE-UHFFFAOYSA-N 440.529 4.324 5 20 IIBD CCOc1ccc(NC(=O)CN2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c([N+](=O)[O-])c1 443637771 HANXAZDKRKEDQY-CQSZACIVSA-N 442.447 4.092 5 20 IIBD CN(C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[C@H]1CCN(c2ccccc2Cl)C1=O 444005189 PFJDJHRYZHIVPF-QFIPXVFZSA-N 445.906 4.212 5 20 IIBD O=C(NCCOc1ccccc1Cl)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444244744 RNMVMMOMZCEWDZ-UHFFFAOYSA-N 428.822 4.422 5 20 IIBD CN(CC1CCN(c2ccncc2)CC1)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444289581 HNUWQSGYNJRJCE-UHFFFAOYSA-N 444.510 4.204 5 20 IIBD COc1cc(OCC(=O)Nc2ccc(Br)cc2C(F)(F)F)ccc1[N+](=O)[O-] 444411917 OKQPLCLILCSXPH-UHFFFAOYSA-N 449.179 4.402 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1ccc(Br)s1 444761027 LJASDRAVRXQAEH-JTQLQIEISA-N 428.308 4.107 5 20 IIBD CC[C@H](C)c1ccc(NC(=O)Cc2noc(-c3cc(C(=O)OC)cc([N+](=O)[O-])c3)n2)cc1 445270551 QVLUVTBLIBVMTL-ZDUSSCGKSA-N 438.440 4.126 5 20 IIBD CC(=O)NCc1ccc(-c2nc(NC(=O)CCc3cccc([N+](=O)[O-])c3)sc2C)s1 446056739 ZVOHKGRDXXTBNS-UHFFFAOYSA-N 444.538 4.296 5 20 IIBD O=C([C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 446422722 NJBVGDNSCRBFQY-LJQANCHMSA-N 448.306 4.091 5 20 IIBD CCc1nc2c(s1)[C@H](N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)CCC2 447014720 VEBGVEIVVSFCMG-CYBMUJFWSA-N 449.476 4.331 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)CC[C@H]2CCCCN2C)cc1 461270966 JSDAPHDKSIBLJY-QGZVFWFLSA-N 427.501 4.342 5 20 IIBD CCCC[C@@H](C)N(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 461426399 YGFKUGDNOFSKKO-MRXNPFEDSA-N 433.530 4.355 5 20 IIBD CCCS(=O)(=O)Nc1cccc(NC(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)c1C 462491512 RWJUMPJDFYOBCP-KRWDZBQOSA-N 433.530 4.262 5 20 IIBD CNc1c(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)cccc1[N+](=O)[O-] 462996487 NMZFCBKZQCWBCK-UHFFFAOYSA-N 445.479 4.479 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@H]1CCN(CC2CCCC2)C1 464335256 MFIGFGCSIACDPY-HNNXBMFYSA-N 431.480 4.086 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2cccc(C)c2)n1CC 464721640 YJTYJLBDWWRQMX-UHFFFAOYSA-N 425.514 4.475 5 20 IIBD Cc1c(NC(=O)N[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cccc1[N+](=O)[O-] 466288941 OMIUUGOEUOJMKV-OAQYLSRUSA-N 439.493 4.218 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl 468219572 SPMKTUORKKXRJU-RMLUDKJBSA-N 432.283 4.151 5 20 IIBD Nc1c(C(=O)NCc2ccccc2-c2ccc(Cn3cccn3)cc2)cccc1[N+](=O)[O-] 468702738 OCXQZIGLODKXAM-UHFFFAOYSA-N 427.464 4.019 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(COCc2ccccc2)cc1 469712144 ZLPWTBDCVYCOOC-FQEVSTJZSA-N 437.500 4.183 5 20 IIBD CCOC(=O)[C@@](C)(CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 470153309 YCIDSLNXQQJVGG-QFIPXVFZSA-N 425.510 4.329 5 20 IIBD Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)c1Br 470314449 SBVLNEIBEAMIMT-UHFFFAOYSA-N 428.080 4.358 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)CC3)cc1[N+](=O)[O-])c1ccccn1 472442292 LFBGEHAGAFAAQK-HNNXBMFYSA-N 445.479 4.043 5 20 IIBD CCOc1cc(NC(=O)[C@H]2C[C@H]2c2cc(OC)ccc2OC)c([N+](=O)[O-])cc1OCC 472812211 RLNMRSOQAZMPGI-HOCLYGCPSA-N 430.457 4.152 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1 475578205 NCPOXLWVTMKPDH-HXUWFJFHSA-N 432.908 4.060 5 20 IIBD O=C(Nc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)nc1)c1ccccc1 477930222 WLEOCKFUZGRUSS-UHFFFAOYSA-N 431.452 4.095 5 20 IIBD COCCNc1ccccc1NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 480825437 YKXHNCYKPTXWLH-INIZCTEOSA-N 435.484 4.474 5 20 IIBD CCN(Cc1ccccc1Cl)C(=O)[C@H](CCSC)NC(=O)c1cccc([N+](=O)[O-])c1 482494433 RRCWERKFXUPSCP-IBGZPJMESA-N 449.960 4.148 5 20 IIBD COC(=O)c1cc(C(C)(C)C)sc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 483008509 CNKQIWULQICJQX-UHFFFAOYSA-N 428.470 4.178 5 20 IIBD O=[N+]([O-])c1cc(CNc2ccc3nnc(-c4ccccc4F)n3n2)cc(C(F)(F)F)c1 486014809 HPEVFZVIIWPDPV-UHFFFAOYSA-N 432.337 4.470 5 20 IIBD Cc1cc(CN(CC(C)C)C(=O)c2ccc(C)c([N+](=O)[O-])c2)nc(N2CCCCC2)n1 486041385 FGSARSHZNAXBSJ-UHFFFAOYSA-N 425.533 4.290 5 20 IIBD COCCOc1ccc(C(F)(F)F)cc1NC(=O)CNc1cc([N+](=O)[O-])c(C)cc1C 486582397 BIZXECVAIWRAFA-UHFFFAOYSA-N 441.406 4.306 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc2nc(C(F)(F)F)cn2c1 486691146 OIYGKBLHNOYVEA-UHFFFAOYSA-N 432.280 4.210 5 20 IIBD COc1ccccc1[C@@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccccc1 487449767 XJRCVOLJQGTAME-QHCPKHFHSA-N 428.448 4.309 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 488086966 FIIXJENHQVEZGD-KBXCAEBGSA-N 445.903 4.047 5 20 IIBD CC[C@@H](NC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)c1ncc(-c2ccccc2)[nH]1 489591867 DLFARLLNPKVJBY-QGZVFWFLSA-N 440.525 4.494 5 20 IIBD Cc1ccc([C@H](CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])N2CCCC2)cc1 489710536 DSMZYCAJEMIDRG-JXFKEZNVSA-N 431.920 4.277 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CN[C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 491027019 ADNLDMZMKJIUGT-HSZRJFAPSA-N 440.521 4.195 5 20 IIBD COc1cc(CN[C@@H]2CCN(c3ccccc3F)C2)c([N+](=O)[O-])cc1OCC(F)(F)F 492206901 FGMXHTXNSGHCFM-CQSZACIVSA-N 443.397 4.052 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1nc(C2CCOCC2)cs1 494364578 GUZZKTLKILHHQM-UHFFFAOYSA-N 430.408 4.286 5 20 IIBD Cc1cc(S(=O)(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)sc1Br 497950171 LENWIUTYXHCGKE-AWEZNQCLSA-N 449.373 4.164 5 20 IIBD O=C(NCc1cccc(Cn2cnc3ccccc32)c1)c1ccc([N+](=O)[O-])c2cccnc12 498180145 ZCQCGELVABPZJQ-UHFFFAOYSA-N 437.459 4.471 5 20 IIBD O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CCN(C2CCC2)CC1 499618131 NBNXBUAXZYYMOV-UHFFFAOYSA-N 428.920 4.171 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H](c3cccc(Br)c3)C2)c1 499833338 YWCAAIWVSPYNRK-KRWDZBQOSA-N 437.315 4.293 5 20 IIBD CC(C)(C(=O)N[C@H]1COc2cc(F)c(Br)cc21)c1ccc([N+](=O)[O-])cc1F 501686429 FYTZDDFPTOUILT-HNNXBMFYSA-N 441.228 4.163 5 20 IIBD COc1cc(CNc2ccccc2C(=O)N2CCCC2)c([N+](=O)[O-])cc1OCC(F)F 502615388 BBEJDRTVVMCMFW-UHFFFAOYSA-N 435.427 4.095 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(Nc3ccccc3)nc2)cc1[N+](=O)[O-] 503698604 CPAIXJLQAUMOKM-UHFFFAOYSA-N 447.480 4.265 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 504077536 SRKDNWIDLCLEON-MRXNPFEDSA-N 442.541 4.291 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCc3cc(Br)cc(F)c32)c(Cl)c1 504481959 BGRDDZCOVTVMGY-UHFFFAOYSA-N 449.685 4.291 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1ccc(SC2CCCC2)cc1 506679695 KYWKDKQAXCDDDK-UHFFFAOYSA-N 427.526 4.269 5 20 IIBD Cc1c(NC(=O)C(=O)N2CCC(c3ccc(Br)cc3)CC2)cccc1[N+](=O)[O-] 506888137 CHYVXVYNOXHMHD-UHFFFAOYSA-N 446.301 4.010 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCCCN2CCc3ccccc32)cc1[N+](=O)[O-])c1ccccn1 506926393 DFIBIWOEUKXKMU-SFHVURJKSA-N 445.523 4.346 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2ccccc2)C1 509830484 KCFWRYZDUBFBNA-CQSZACIVSA-N 436.249 4.138 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)cc1 510456445 DXMUHLQTPGPUMQ-ROUUACIJSA-N 428.432 4.369 5 20 IIBD Cc1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(Br)c1 511937041 DAOAUVCSZHVEPO-UHFFFAOYSA-N 427.320 4.265 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@H](C[C@@H]3CCOC3)c3ccccc3)cc2)c(C)c1[N+](=O)[O-] 512192418 CGTQPQOCHSKWRY-NZQKXSOJSA-N 448.523 4.354 5 20 IIBD O=C(N[C@@H]1CC(=O)N2CCCC[C@@H]12)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 512490966 PYBOVAWAOSTUOU-SJORKVTESA-N 445.928 4.283 5 20 IIBD Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCCc3c2cccc3[N+](=O)[O-])cc1 513836423 HSMYWODKVMKHMK-UHFFFAOYSA-N 440.459 4.195 5 20 IIBD CCC[C@@H](NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 513957432 YBBFGSBAHLIMSX-HXUWFJFHSA-N 439.516 4.432 5 20 IIBD O=C(c1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 516344321 LIVBYPHCDQFHBU-UHFFFAOYSA-N 443.308 4.185 5 20 IIBD O=C(N[C@@H]1CCN(C2CC2)C1)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 517404000 INRXAXAKYBJQFN-CQSZACIVSA-N 440.550 4.322 5 20 IIBD Cn1cc(C(=O)NCc2nc3cc(Cl)ccc3s2)c(-c2ccc([N+](=O)[O-])cc2)n1 518790606 XAGYEZVYGGEPIF-UHFFFAOYSA-N 427.873 4.188 5 20 IIBD O=C(NCC(=O)N(CCc1ccccc1)c1ccccc1)c1c(Cl)cccc1[N+](=O)[O-] 520881643 ZQZRTMUUCFQYEI-UHFFFAOYSA-N 437.883 4.254 5 20 IIBD O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 521337263 PGOUJCKKHHXRIP-MRXNPFEDSA-N 426.231 4.284 5 20 IIBD CCN(CC)CCNC(=O)c1ccc(Oc2ccc(Br)cc2[N+](=O)[O-])cc1 522402152 CUEYPSKYDZPCJN-UHFFFAOYSA-N 436.306 4.221 5 20 IIBD CCc1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)nn1-c1ccccc1Cl 522715238 VIGAFSUUYFAZAH-UHFFFAOYSA-N 437.790 4.245 5 20 IIBD CNS(=O)(=O)c1ccc(N[C@@H](c2cccc(C(F)(F)F)c2)C(C)C)c([N+](=O)[O-])c1 523295244 BXAHFJUISWKSFX-QGZVFWFLSA-N 431.436 4.331 5 20 IIBD Cn1cnnc1Sc1ccccc1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 525284644 QNKMEOUOQKSJAD-UHFFFAOYSA-N 438.494 4.250 5 20 IIBD COC(=O)[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)c(F)c1 534050221 FLFFPZSWLXWWEU-AWEZNQCLSA-N 434.729 4.050 5 20 IIBD O=C(N[C@H](CCCO)c1ccccc1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 535614486 WJBKPSWHDWHLKI-QGZVFWFLSA-N 449.294 4.331 5 20 IIBD COc1ccc(CCN(CC(C)C)C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1OC 536184535 CNQKDBUYZLOQKY-UHFFFAOYSA-N 439.512 4.363 5 20 IIBD Cc1nc([C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c2ccc(Cl)cc2)no1 536510824 YEUJIPPZBSGLRF-SFHVURJKSA-N 427.848 4.033 5 20 IIBD COc1ccc([C@H](OC)[C@H](C)NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 539029914 HCPZOGYGEWQFEL-APPDUMDISA-N 425.388 4.103 5 20 IIBD COc1cc(-c2noc(CCC(=O)Nc3ccc([N+](=O)[O-])c(C)c3)n2)cc(Cl)c1OC 539646684 AXXWEGBAWGUNDB-UHFFFAOYSA-N 446.847 4.195 5 20 IIBD Cn1cc(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)c(-c2ccc([N+](=O)[O-])cc2)n1 539756998 YNKXBSIUFUEHPS-UHFFFAOYSA-N 439.435 4.186 5 20 IIBD O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 539758013 MVGJXAQDIBTGIJ-UHFFFAOYSA-N 442.479 4.388 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCO[C@H](Cc3ccccc3)C2)cc1[N+](=O)[O-])c1ccccn1 540684077 KHIZMAMGSNXNOP-GHTZIAJQSA-N 446.507 4.247 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccc(F)cc1I 542232078 SGDOJHQAMFBWRO-UHFFFAOYSA-N 432.214 4.069 5 20 IIBD CCCNC(=O)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 542618625 LYFYJPBXIQNSRJ-KRWDZBQOSA-N 433.574 4.256 5 20 IIBD CCN(CC)CCCC1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 543952415 AAZNSSDWFRDLCU-UHFFFAOYSA-N 426.355 4.332 5 20 IIBD COC1(c2noc(Cc3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)n2)CCC1 545099579 FWOJKRSMNZPZMS-UHFFFAOYSA-N 431.452 4.447 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc(C2CCN(C(=O)c3ccc(F)cc3F)CC2)n1 546400610 XAQCLOHCDYBWJZ-UHFFFAOYSA-N 428.395 4.251 5 20 IIBD CC(C)c1noc(Cc2ccc(NC(=O)c3cc(O)nc4ccc([N+](=O)[O-])cc34)cc2)n1 547300309 PSGKZWLTBHXDMW-UHFFFAOYSA-N 433.424 4.198 5 20 IIBD O=C(CCNC[C@H](c1c(F)cccc1Cl)N1CCCC1)Nc1ccccc1[N+](=O)[O-] 548761188 PQZGOZNINRFZTJ-LJQANCHMSA-N 434.899 4.143 5 20 IIBD CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 550794282 NWPKUKRXMVVENB-DIFFPNOSSA-N 425.254 4.311 5 20 IIBD CCO[C@@H]1C[C@H](NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)[C@]12CCCO2 555007593 BVOYEHYBDJJJGF-TUNNFDKTSA-N 427.457 4.235 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 555030577 HPSGFMMVMAGWSK-GOSISDBHSA-N 445.426 4.053 5 20 IIBD COc1cccc(NC2CCN(C(=O)c3cc([N+](=O)[O-])cc(Br)c3C)CC2)c1 559581301 RTGBMGGEMHFDRB-UHFFFAOYSA-N 448.317 4.391 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1)N(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 561074003 FOMCBABNTZRXHJ-VWLOTQADSA-N 444.535 4.226 5 20 IIBD O=C(c1cc(NCc2cc(F)c(F)cc2Br)ccc1[N+](=O)[O-])N1CCCC1 561446349 WZOHQXXVQGZERZ-UHFFFAOYSA-N 440.244 4.484 5 20 IIBD O=C(NC1[C@H]2CC[C@H]1Cc1ccccc1C2)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 561691499 SXIRMHDLOMRSRT-HOTGVXAUSA-N 434.414 4.459 5 20 IIBD C[C@@H](C(=O)Nc1ccnn1Cc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 570885476 HNGHAAHJHCHDBV-CYBMUJFWSA-N 429.274 4.344 5 20 IIBD Cc1ccc2nc([C@H]3CCCN(c4ccc([N+](=O)[O-])c(N5CCOCC5)c4F)C3)[nH]c2c1 571726015 NPFTZDLZQPHFNT-INIZCTEOSA-N 439.491 4.139 5 20 IIBD CC(C)Oc1ccc([C@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])N(C)C)cc1 572316592 SFAZQNGUJBCHJW-IBGZPJMESA-N 439.434 4.434 5 20 IIBD COc1cccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)N2CCCC2)c1 576175266 WFNKPJWCHLPIEL-IBGZPJMESA-N 437.418 4.189 5 20 IIBD CC(=O)N(c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1)[C@@H]1C[C@@H]1C 576424735 RWUXXKOBFFNDQK-HXPMCKFVSA-N 446.301 4.300 5 20 IIBD CNc1ccc(C(=O)N2CCC(Nc3cccc(Br)c3)CC2)cc1[N+](=O)[O-] 580514595 WMONWXACKMNTGG-UHFFFAOYSA-N 433.306 4.116 5 20 IIBD CSc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)N(C)C)cc1 580673236 YJDFNMPVMLSFJX-KRWDZBQOSA-N 438.347 4.112 5 20 IIBD COc1cc(-c2nc(-c3cc(Cl)c4c(c3)OCCCO4)no2)cc([N+](=O)[O-])c1OC 581855781 NQOYTDHGUBVGBS-UHFFFAOYSA-N 433.804 4.144 5 20 IIBD CCOCc1ccc(-c2noc([C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)cc1 589096308 RZXIEUVQLAWFDN-FQEVSTJZSA-N 436.468 4.467 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CC[C@@](CO)(c2ccccc2)C1 589727825 CNTKGYCKMFPTKX-HSZRJFAPSA-N 426.538 4.406 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O 590538078 PDCKUVDFDVTQNF-BMGDILEWSA-N 425.323 4.212 5 20 IIBD CCOc1cc(NC(=O)NC[C@H](c2cccs2)N2CCCC2)c([N+](=O)[O-])cc1OCC 603651662 YFZUWMIZIUJVMX-QGZVFWFLSA-N 448.545 4.412 5 20 IIBD C[C@H](c1ccccc1)N1C[C@@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)CC1=O 603742004 KFTPTJZSCSOTOL-QAPCUYQASA-N 449.429 4.095 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])Nc1nc2c(s1)CCN(Cc1ccccc1)C2 603961453 ZAOUBSPCCPOGFI-UHFFFAOYSA-N 438.509 4.017 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(Oc2cccc(Br)c2)nc1 603999749 LQDRUIBEINTSFV-UHFFFAOYSA-N 428.242 4.475 5 20 IIBD Cc1ccc(NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c(OCc2ccccc2)c1 604011080 VKDBFVINUDHXER-UHFFFAOYSA-N 435.436 4.262 5 20 IIBD CN(CCCCCc1cc(-c2ccccc2)n[nH]1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 604126782 HIKCMIHQKXLEFC-UHFFFAOYSA-N 428.514 4.018 5 20 IIBD COC(=O)c1ccc(N2CCCC2)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 604446573 GIICXKQCLFURDG-ZDUSSCGKSA-N 447.875 4.041 5 20 IIBD Cc1ccc(-c2nc(CCNC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])co2)cc1 608818004 RNBGOAWFYQLXSU-CQSZACIVSA-N 429.860 4.338 5 20 IIBD O=C(Nc1ccccc1CN1CCc2ccccc21)c1cc([N+](=O)[O-])cc2c1OCCO2 608938460 NXOMKPSYABGCGO-UHFFFAOYSA-N 431.448 4.181 5 20 IIBD CN(Cc1nc2ccccc2n1C)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 609533041 VWMFKGCKLNZCOJ-UHFFFAOYSA-N 429.480 4.366 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1CCCN(Cc2ccccc2)C1 609730632 ACHMYGWKOFQFLU-SFHVURJKSA-N 431.920 4.046 5 20 IIBD COc1cc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)cc([N+](=O)[O-])c1OC 610167894 AVOSADHCLOLBQN-AWEZNQCLSA-N 443.481 4.048 5 20 IIBD COc1ccc2[nH]cc(C3CCN(S(=O)(=O)c4cc(Cl)ccc4[N+](=O)[O-])CC3)c2c1 725826122 LYGQIGKNDGOTDW-UHFFFAOYSA-N 449.916 4.306 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CC(=O)N(c2ccccc2Br)C1 727710300 OJOFWQPLYZYROA-JTQLQIEISA-N 438.665 4.002 5 20 IIBD C[C@@H](OC(=O)Cc1c[nH]c2cc(Cl)ccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 727911981 YLNDPLQDDNLQLB-SNVBAGLBSA-N 436.251 4.496 5 20 IIBD O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)OCc1c(F)cccc1[N+](=O)[O-] 728986393 OAMSXSAHQCLCPF-UHFFFAOYSA-N 436.395 4.007 5 20 IIBD C[C@H](OC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 729779932 HMDAMKKUROHPKC-NSHDSACASA-N 447.806 4.155 5 20 IIBD O=C(COC(=O)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 730494130 QMZLIGNVXHYQLZ-NRFANRHFSA-N 442.374 4.175 5 20 IIBD Cc1ccc(Cc2nnc(NC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)s2)cc1 730991176 DBHJLGUNTIEDPN-UHFFFAOYSA-N 427.442 4.123 5 20 IIBD Cc1c(Cl)c(COC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])nc2ccccc12 731101113 LFQPPEBRFZUFQR-UHFFFAOYSA-N 448.262 4.231 5 20 IIBD Cc1ccc(CCC2CCN(C(=O)COC(=O)c3ccc([N+](=O)[O-])c(F)c3)CC2)cc1 731517771 UJRZGBSKRZSOKQ-UHFFFAOYSA-N 428.460 4.071 5 20 IIBD CN(CCc1ccccc1F)C(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 731653766 XOXWHZBMFRXKTG-UHFFFAOYSA-N 449.482 4.346 5 20 IIBD COc1ccc2ccc(OC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)cc2c1 731962767 AFUJDQOPPJALPQ-QGZVFWFLSA-N 426.450 4.028 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 732480989 PWFLJODYBPIKCH-UHFFFAOYSA-N 444.850 4.213 5 20 IIBD Cc1oc(-c2ccccc2F)nc1C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 738670932 IEMZWAJLKWGGES-ZDUSSCGKSA-N 427.388 4.190 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1nc(COc2ccccc2)cs1 739381242 DUVNVXUTCJQLJA-UHFFFAOYSA-N 425.875 4.085 5 20 IIBD CN(C[C@H]1CCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)OC(C)(C)C 742885878 PEMDSWPDXITZRR-GOSISDBHSA-N 449.551 4.013 5 20 IIBD COc1ccccc1CC(C)(C)C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 745013552 AXKXVHLWUFODOD-CYBMUJFWSA-N 434.876 4.396 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cccc(OCC(F)(F)F)c2)c(C(F)(F)F)c1 746657296 LVCFKUDAKGSBFK-UHFFFAOYSA-N 445.293 4.322 5 20 IIBD O=C(CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccccc1)OCc1nccs1 746978109 XDESGRWYHFOGJX-UHFFFAOYSA-N 426.479 4.226 5 20 IIBD Cc1cc(Cl)cc(NC(=O)c2cc([N+](=O)[O-])ccc2I)c1O 747935645 ZDUOHIBJOGOLKO-UHFFFAOYSA-N 432.601 4.119 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@@H](O)c1c(Cl)cccc1Cl 755814877 FCGUMASGSNCQCN-CQSZACIVSA-N 448.100 4.056 5 20 IIBD Cc1nc(C(=O)O[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)nn1-c1ccccc1C(C)C 759935537 SAYSTFQFGNLYTF-OALUTQOASA-N 438.488 4.145 5 20 IIBD Nn1c(SCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)nnc1-c1ccccc1Cl 760289161 FDTPKNBUNNBDDO-UHFFFAOYSA-N 428.861 4.168 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cnc([C@H]3CCCO3)s2)cc1)c1cccc([N+](=O)[O-])c1 760331259 RLIVDSHRMNWPOT-QGZVFWFLSA-N 439.449 4.374 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(NC[C@@H](O)c3cccc(OCc4ccccc4)c3)cc2N1 760493435 QZGLQBCCTQJCCA-HSZRJFAPSA-N 433.464 4.204 5 20 IIBD CCOc1ccccc1-c1noc(-c2cc([N+](=O)[O-])ccc2I)n1 761564428 UUMOCHBTRUTBAP-UHFFFAOYSA-N 437.193 4.315 5 20 IIBD CC(C)(C(=O)OCc1cn2cc(Br)ccc2n1)c1ccc([N+](=O)[O-])cc1F 763001540 WQSFNHYSJFDQNF-UHFFFAOYSA-N 436.237 4.165 5 20 IIBD O=C(NS(=O)(=O)Cc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 764564715 WVNQLNXDYJZOFN-UHFFFAOYSA-N 438.502 4.028 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Oc2cccc(CNC(=O)OC(C)(C)C)c2)c1C 765191117 ONJFBWAUXGADAQ-UHFFFAOYSA-N 436.486 4.004 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](C)C(=O)Nc1cc(Cl)ccc1OC 765523139 CUBPVUYPBHBHGD-DZGCQCFKSA-N 434.876 4.396 5 20 IIBD C[C@@H](NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 765596165 RXAJEEICWFJMAC-MSOLQXFVSA-N 432.565 4.189 5 20 IIBD C[C@H](OC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1nc(Cc2ccccc2)no1 770158260 ZIHDJLBAVPTULP-NSHDSACASA-N 432.230 4.249 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OCC2CCC(C(F)(F)F)CC2)ccc1[N+](=O)[O-] 770362727 ZXNSRHNWOJIIAP-JFUPDXTOSA-N 442.434 4.420 5 20 IIBD C[C@H]1CN(c2cccc3cnccc23)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 773433743 POXCJYQTADLYOF-SFHVURJKSA-N 445.523 4.094 5 20 IIBD O=C(OCc1nc(-c2ccc(F)c(F)c2)no1)c1sc(Br)cc1[N+](=O)[O-] 773602257 JCTQCYAEVAAAGV-UHFFFAOYSA-N 446.185 4.104 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 777936417 OJLYSPNABAOCFZ-UHFFFAOYSA-N 435.477 4.362 5 20 IIBD C[C@H](OC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccccc1NC(=O)c1ccccc1 779202775 NZWSLNSSZWIAFM-AWEZNQCLSA-N 434.404 4.494 5 20 IIBD CC(C)[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1Br)C(=O)Nc1ccccc1F 781677868 LOYOMDCLBUOCPY-MRXNPFEDSA-N 439.237 4.317 5 20 IIBD O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)c1cccc([N+](=O)[O-])c1Br 782172913 VZTRSIARDYYRLG-ZDUSSCGKSA-N 434.073 4.128 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1nc(-c2ccccc2)cs1 783317989 MDQNNEFKIOEPQU-NSHDSACASA-N 430.873 4.188 5 20 IIBD C[C@H](OC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1nnc(-c2cccc(Cl)c2)o1 783708026 MGDBYDSQJVYHPJ-JTQLQIEISA-N 440.799 4.470 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(Oc2ccccc2F)nc1 785440107 DIUYRPJEQWYBHI-UHFFFAOYSA-N 426.360 4.401 5 20 IIBD Cc1cc(C(=O)O[C@@H]2CCCN(c3ccc(F)cc3[N+](=O)[O-])C2)c2cnn(C(C)C)c2n1 787026014 NBHHHDMXLZABKA-MRXNPFEDSA-N 441.463 4.194 5 20 IIBD Cc1ccc(NC(=O)N2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)cc1[N+](=O)[O-] 787808574 HVGJKVDNZYHYMB-UHFFFAOYSA-N 439.390 4.317 5 20 IIBD COc1cc(C(=O)Nc2cc(C)cnc2Cl)c([N+](=O)[O-])cc1OCc1cscn1 787979862 GUBHIUMXXGOHIB-UHFFFAOYSA-N 434.861 4.248 5 20 IIBD Cc1ccc(-c2csc(NS(=O)(=O)C3=Cc4ccccc4OC3)n2)cc1[N+](=O)[O-] 788840636 APZGULRGDWBQGU-UHFFFAOYSA-N 429.479 4.202 5 20 IIBD O=[N+]([O-])c1ccc(Br)c2c1CN(CCc1nc(-c3ccccc3)no1)CC2 792892844 RZWUXRWVMPOESY-UHFFFAOYSA-N 429.274 4.008 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 799125230 AFAOTHVSSGFLPJ-UHFFFAOYSA-N 436.229 4.009 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NCC(=O)NCc1cccc(COCc2ccco2)c1 799972807 QTDYLIYUHUCKMJ-UHFFFAOYSA-N 427.432 4.080 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)Nc1ccc(COCc2ccccc2)cc1 800630484 KTVCAMAVTBSUSJ-UHFFFAOYSA-N 437.427 4.336 5 20 IIBD O=C(Nc1cccc(Br)c1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1 801757088 HIONZUQPBMZTRX-UHFFFAOYSA-N 440.681 4.100 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@@H](C)OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 802082298 DPAOFNVUEIXDAT-CYBMUJFWSA-N 446.506 4.348 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)CC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 803409229 VFHRUMISDWRYIZ-JLYLLQBASA-N 431.533 4.164 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H]2COC(=O)NC2CCCCC2)cc1[N+](=O)[O-] 805172906 RZLGYGAVCAWAFG-QFBILLFUSA-N 432.521 4.197 5 20 IIBD O=c1c2cccc(Br)c2ncn1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 809956345 JRKVSWQKTWMZRW-UHFFFAOYSA-N 429.057 4.422 5 20 IIBD CC(C)[C@H](c1ccccc1)N(C)C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810363726 BFIXRKYXNHMWFX-QGZVFWFLSA-N 434.290 4.152 5 20 IIBD O=C(COc1cccc(N2CCCC2=O)c1)OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811042069 NCNLVAUAFYHNPS-UHFFFAOYSA-N 439.251 4.151 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc(C(F)(F)F)cc(Cl)n1 811233882 RLYUMCHRBNXIBJ-UHFFFAOYSA-N 428.710 4.069 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)[C@H](C)c2cccc(Br)c2)cccc1[N+](=O)[O-] 812609026 XKOIWXDQKACPRK-DGCLKSJQSA-N 435.274 4.340 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 813245307 PHUFKUUXCLSZGE-AWEZNQCLSA-N 426.281 4.055 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 813803927 PMXCZYYYQHEPBK-LJQANCHMSA-N 444.532 4.058 5 20 IIBD C[C@H](OC(=O)c1cnc2c(F)ccc(F)c2c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 815357144 PQPNWHRBWLNCFZ-VIFPVBQESA-N 435.770 4.259 5 20 IIBD CC(=O)Nc1cccc(NC(=O)[C@H](OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(C)C)c1 877054688 HFWCVWNUVSLZKT-GOSISDBHSA-N 433.848 4.027 5 20 IIBD CC(C)[C@@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)N1C[C@@H](C)C[C@@H](C)C1 878472598 LLCQTNOVSLDCNK-UYXZNNOOSA-N 448.563 4.227 5 20 IIBD CC(C)c1c(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1-c1ccccc1 913380638 ZOVDSLRKBKEKLA-UHFFFAOYSA-N 433.424 4.311 5 20 IIBD O=C(COC(=O)CCOc1ccccc1-c1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1 915000476 IFVIKJXNBSTUCG-UHFFFAOYSA-N 438.411 4.352 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)NC(=O)C2(c3ccccc3F)CCCC2)cc1[N+](=O)[O-] 916793474 XMNJDKMIBUIKNH-UHFFFAOYSA-N 440.880 4.013 5 20 IIBD CN(Cc1cccc2ccccc12)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 917913908 RRQPOTHFWWRNRP-UHFFFAOYSA-N 435.299 4.331 5 20 IIBD CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cn1 918632185 DJOYLBXRARJCQT-LJQANCHMSA-N 441.484 4.019 5 20 IIBD O=C(COC(=O)c1c[nH]cc1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 919151065 KNMHLIDFNZMJJG-UHFFFAOYSA-N 433.342 4.404 5 20 IIBD CC(=O)Nc1cccc(-n2cnn(CN(Cc3ccc([N+](=O)[O-])cc3)C(C)C)c2=S)c1 919950721 QSOCXSSERYWXCV-UHFFFAOYSA-N 440.529 4.138 5 20 IIBD CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])c1 920329200 BBIOGIFGGFJSCS-UHFFFAOYSA-N 433.420 4.398 5 20 IIBD C[C@H](CC(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)c1ccc(C(F)(F)F)cc1 1115923368 BYCVZCDEYGSXEE-MRXNPFEDSA-N 435.446 4.452 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Br)C1 1116651696 RFTMHWZSTMJSGU-OLZOCXBDSA-N 428.327 4.092 5 20 IIBD COc1c(C(=O)NCCSc2ncc(C(F)(F)F)cc2Cl)cccc1[N+](=O)[O-] 1120718969 NLZWVDIRWDINNG-UHFFFAOYSA-N 435.811 4.193 5 20 IIBD O=C(Nc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1)c1ccc([N+](=O)[O-])cc1Cl 1317896333 ZVZKTPPENGEIEC-UHFFFAOYSA-N 449.716 4.269 5 20 IIBD O=C(Cn1cc(C2CC2)nn1)Nc1cc([N+](=O)[O-])ccc1Nc1cccc(C(F)(F)F)c1 1319203522 HWVMCZKXYJMIOI-UHFFFAOYSA-N 446.389 4.465 5 20 IIBD O=C(c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)N1CCCC[C@H]1CO 1321592743 FUFHGVKRXCMILW-AWEZNQCLSA-N 429.523 4.343 5 20 IIBD C[C@@H](NC(=O)c1cccc(Cl)c1Cl)c1nnc(COc2ccccc2[N+](=O)[O-])o1 1326136319 DHLIXVJNVZBQIV-SNVBAGLBSA-N 437.239 4.355 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)Oc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 1343820601 OYZIUHSGNGKBCR-UHFFFAOYSA-N 437.429 4.496 5 20 IIBD Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4F)cc3)CCC2)cn1 1790621908 DYROWZKWCMQLHK-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD Cc1ccncc1C(=O)NC1(c2ccc(NC(=O)c3cccc(F)c3[N+](=O)[O-])cc2)CCC1 1790698696 LDMZZQSONJSMSO-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc3occc3c2)[nH]n1)c1ccc([N+](=O)[O-])[nH]1 1820365109 NOPBKNNXFSQYJE-QGZVFWFLSA-N 448.439 4.012 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(C)CC2)CC1 1826241891 ALNKIGWKWAWZNJ-IBGZPJMESA-N 431.508 4.076 5 20 IIBD CCCc1ccc(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C3)cc1 1844979422 PARSQWMNDFFXGI-BUHFOSPRSA-N 433.508 4.078 5 20 IIBD Cc1cccc(C)c1C(=O)N1CC2(CCCN2C(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)C1 1845143523 KDXWFLHQXSRFMK-UHFFFAOYSA-N 447.535 4.151 5 20 IIBD CCC(=O)c1cc(Cl)ccc1OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 10637878 BMYVTWDBOJMUOC-UHFFFAOYSA-N 434.832 4.020 5 20 IIBD C[C@H](NC(=O)COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Br)cc1 11025120 HTPYOCRLHMDZLK-JTQLQIEISA-N 441.665 4.045 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(-c2c[nH]c3ccccc23)o1 11346779 WBFMDFMTURKNNU-LLVKDONJSA-N 439.453 4.254 5 20 IIBD COc1cc(C(=O)NCCc2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OC(F)F 11544226 WJCDCMHOEXENBS-UHFFFAOYSA-N 435.210 4.484 5 20 IIBD C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 15539318 NLJBSRYYRVDCAM-INIZCTEOSA-N 439.493 4.229 5 20 IIBD O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])Nc1ccc(N2CCCCCC2)cc1 18223088 WNUSATHNJGRPRX-UHFFFAOYSA-N 431.876 4.424 5 20 IIBD CCc1ccc(-c2csc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)n2)s1 25737822 OFYSIXWKKKAORX-UHFFFAOYSA-N 430.511 4.101 5 20 IIBD COc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1NC(=O)c1cccc(F)c1 60689323 QUFIDCJJNOQHDB-UHFFFAOYSA-N 439.399 4.012 5 20 IIBD O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 62524412 UJZRGAQQWRHYDV-UHFFFAOYSA-N 428.836 4.118 5 20 IIBD CSc1ccc(Cl)cc1NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O 64848513 XQWIOVZFZDZZIY-UHFFFAOYSA-N 430.873 4.077 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3c4ccccc4C[C@@H]3O)o2)c(Br)c1 238003546 WDSZQTCACHJNNE-AZUAARDMSA-N 429.270 4.365 5 20 IIBD Cc1ccc(-c2noc([C@H](C)N3CCN(c4ccc([N+](=O)[O-])c5cccnc45)CC3)n2)cc1 301105960 NIPGDCKEEPSNFH-KRWDZBQOSA-N 444.495 4.385 5 20 IIBD Cc1nn(C)c(Sc2nnc(Nc3cccc(Br)c3)s2)c1[N+](=O)[O-] 301273331 KHPKOUWZBJRRNB-UHFFFAOYSA-N 427.309 4.146 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2cc(-c3cccs3)[nH]n2)cc1[N+](=O)[O-])c1ccccn1 410074009 IOBRCXYETOGICH-ZDUSSCGKSA-N 434.481 4.867 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1c[nH]cc1-c1ccc2c(c1)OCCO2 427601792 BYPJUXQCAMZWRK-UHFFFAOYSA-N 447.369 4.310 5 20 IIBD CCN(CC)CCCNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1Cl 428401604 PTRYVSIWTPCNCV-UHFFFAOYSA-N 438.937 4.024 5 20 IIBD CCCOc1cccc(CCNC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c1 434325437 PNCIWOVCVMLVGI-UHFFFAOYSA-N 436.512 4.218 5 20 IIBD O=[N+]([O-])c1ccc(Sc2cccs2)c(NS(=O)(=O)c2c[nH]c3ncccc23)c1 435135936 WPNXFBLJIPAJAI-UHFFFAOYSA-N 432.508 4.485 5 20 IIBD O=c1c2ccccc2[nH]c2ccc(-c3nc(-c4cccc(CN5CCOCC5)c4)no3)cc12 435994636 OQQRMVIMCPDEJP-UHFFFAOYSA-N 438.487 4.231 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(Br)s1 436005677 YJUGXUQANWOLGE-VHSXEESVSA-N 428.308 4.105 5 20 IIBD Cc1ccc([C@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C)S(C)(=O)=O)cc1 437345604 PEZHRPWWVGXMTE-KSFYIVLOSA-N 428.510 4.427 5 20 IIBD Cc1nc(-c2cccc(NC(=O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)c2)oc1C 438656286 OVHFAYAIQPFLDC-UHFFFAOYSA-N 436.468 4.242 5 20 IIBD CCn1cc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)c(C(F)(F)F)n1 439141418 SHKDUORGPHHBSS-UHFFFAOYSA-N 425.392 4.230 5 20 IIBD Cc1c(NC(=O)C(=O)N2CCCCC[C@H]2c2noc(-c3ccccc3)n2)cccc1[N+](=O)[O-] 442471300 INBNGIZOJJAFHZ-IBGZPJMESA-N 449.467 4.036 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1 444917476 CSQJWSYQHMCVPP-UHFFFAOYSA-N 438.415 4.317 5 20 IIBD CCCCC1CCC(c2nc(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCO4)no2)CC1 445491694 PTLBLMXAOLNBEB-UHFFFAOYSA-N 444.488 4.394 5 20 IIBD Cc1ccc(Sc2ccc(-c3nc(CS(=O)(=O)C4CC4)no3)cc2[N+](=O)[O-])cc1 445775745 RNWNPYYTFSWEMR-UHFFFAOYSA-N 431.495 4.182 5 20 IIBD O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 460645317 GVEJMGAYUKHKHZ-INIZCTEOSA-N 427.354 4.332 5 20 IIBD CCCCS(=O)(=O)Nc1ccc(NC(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)cc1 462994965 VVPIBHZQEUFYNL-KRWDZBQOSA-N 433.530 4.344 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)c2ncccc12 463512317 KVILRRPLFROZSB-UHFFFAOYSA-N 429.788 4.199 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc(C(=O)NCc2ccccc2F)cc1 466146338 RDJKTKGWUTWRTF-UHFFFAOYSA-N 436.443 4.028 5 20 IIBD O=C(CCc1nnc(-c2cc3ccccc3o2)o1)NCc1ccc([N+](=O)[O-])cc1Cl 466276037 ZSWMUUQZPIJVKP-UHFFFAOYSA-N 426.816 4.293 5 20 IIBD Cc1cc(C[C@@H](C)NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)n(-c2ccccc2)n1 467226080 AUPXSAATCXJNOR-CQSZACIVSA-N 427.892 4.173 5 20 IIBD CC(C)(C)[C@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(F)cc1F 468345096 AMAYRFNBCIVHMT-GOSISDBHSA-N 439.846 4.160 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 470139790 FROSLNXPXLMRDE-ZDUSSCGKSA-N 429.383 4.335 5 20 IIBD C[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@H]1c1ccc(C(F)(F)F)cc1 472615615 ZMXMAJYKCBAMJC-PIGZYNQJSA-N 439.365 4.301 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc(Br)cc2C(F)(F)F)cc([N+](=O)[O-])c1 475077199 RSMFPMLNMFKLMK-UHFFFAOYSA-N 447.163 4.415 5 20 IIBD C[C@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1nnc2n1CCC2 478687356 JTGYUQHQDVTBGL-LBPRGKRZSA-N 427.848 4.069 5 20 IIBD O=C(Nc1ccc(OC(F)F)c2cccnc12)c1cc(O)nc2ccc([N+](=O)[O-])cc12 479263670 PSORMWQJHFJJLS-UHFFFAOYSA-N 426.335 4.251 5 20 IIBD COC(=O)c1cccnc1S[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 479647883 NIJCHTBIGHBOEJ-LLVKDONJSA-N 444.494 4.019 5 20 IIBD CCOC(=O)c1csc([C@@H]2CCCN2C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 482950537 PHIQQNFZHUNFGZ-WBMJQRKESA-N 435.527 4.072 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2c[nH]c3ncccc23)CC1 483175819 FIGYLNZKHVRPBA-UHFFFAOYSA-N 440.525 4.229 5 20 IIBD C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 484977318 RLRICSVCKVAPMA-SCLBCKFNSA-N 445.401 4.418 5 20 IIBD COc1cc(F)c([C@H](C)NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1OC 485557414 VFNVHPSXALZZHA-ZETCQYMHSA-N 433.255 4.066 5 20 IIBD C[C@@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1nc(C2CCCCC2)no1 485904676 GMEPBOOFVAISLN-MRVPVSSYSA-N 429.296 4.341 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@@H](C)[C@@H](OC)c2ccccc2Cl)c(C)c([N+](=O)[O-])c1 486884284 UHYIUQZVEKWDRR-KPZWWZAWSA-N 435.864 4.241 5 20 IIBD O=C(c1cc(C2CC2)nc2ccc(Cl)cc12)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 486990017 WPTOEXFCRNLWLK-UHFFFAOYSA-N 425.876 4.348 5 20 IIBD CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 487991598 JJIDQFPEFGKVGX-UHFFFAOYSA-N 441.919 4.455 5 20 IIBD COc1ccc(CCC(=O)N2CCCN([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)cc1 489231998 LKQQRHVQLNBITE-LJQANCHMSA-N 425.529 4.140 5 20 IIBD C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCN1Cc1ccccc1 489907528 OBMAWTCFCLRMBT-WBVHZDCISA-N 433.455 4.321 5 20 IIBD CCOc1cc(C(=O)NCC[C@@H](c2ccccc2)C(F)(F)F)c([N+](=O)[O-])cc1OC 490988168 KRJBYAYCZWKYBS-HNNXBMFYSA-N 426.391 4.468 5 20 IIBD CCOc1ccc(C(=O)Nc2cccc(S(=O)(=O)C3CCCCC3)c2)cc1[N+](=O)[O-] 491356353 LWKMPSXOAUXQOI-UHFFFAOYSA-N 432.498 4.352 5 20 IIBD Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)CC3 491457265 OSSBLFXMKCPZRQ-GFCCVEGCSA-N 428.286 4.434 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N(C)C 493711816 UNQVJCUSWIFXGK-HSZRJFAPSA-N 449.507 4.215 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)cc1[N+](=O)[O-] 498969929 WLLJIDGGHNEMAO-JTQLQIEISA-N 429.782 4.391 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)cc1OC 500125129 YOXGJWXKFMFXLT-NRFANRHFSA-N 425.416 4.056 5 20 IIBD CC(C)Oc1cc(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)ccn1 502180201 MIGWSNITGPMRHV-MRXNPFEDSA-N 435.484 4.275 5 20 IIBD COc1cc(CCNC(=O)NC2(c3ccc(F)cc3)CCCC2)c([N+](=O)[O-])cc1OC 503445034 BGVKHISHVKTLTM-UHFFFAOYSA-N 431.464 4.062 5 20 IIBD Cc1sc(NC(=O)C(=O)c2cnn(-c3ccccc3)c2)nc1-c1cccc([N+](=O)[O-])c1 504697157 CXIZEEJEEADAGJ-UHFFFAOYSA-N 433.449 4.034 5 20 IIBD CCOc1ccc([C@H](C)NCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1[N+](=O)[O-] 504906580 ZYBIACKETKDLQR-KURKYZTESA-N 441.528 4.094 5 20 IIBD CC(C)n1ncc2cc(CN3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)cnc21 506775287 JZNFNCQNSUULQU-UHFFFAOYSA-N 448.449 4.261 5 20 IIBD C[C@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1ccc(-n2cccn2)c(F)c1 508817654 FOWURVAGZAEFKY-HNNXBMFYSA-N 431.427 4.473 5 20 IIBD COc1ccc(CN(CC2CCC2)C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c(OC)c1 511788053 PWKYUNBTZTWWCH-UHFFFAOYSA-N 437.496 4.465 5 20 IIBD CCn1c(-c2ccc(-c3ccccc3[N+](=O)[O-])o2)nc2cc(S(=O)(=O)N(C)C)ccc21 513857402 LFXFVIAQBNPPKO-UHFFFAOYSA-N 440.481 4.142 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 514540153 ULSWYXRVUTUNQF-UHFFFAOYSA-N 442.337 4.453 5 20 IIBD Cn1c([C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)nc2ccccc21 516332564 MIFXAZSIXNSXGU-QGZVFWFLSA-N 434.905 4.051 5 20 IIBD Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1F 517451308 QZFAVWDDSOTJBQ-GOSISDBHSA-N 432.249 4.354 5 20 IIBD CCOc1cc(C(=O)Nc2nnc(-c3ccccc3Cl)s2)c([N+](=O)[O-])cc1OC 517653800 VGFMMRRKXCYBLI-UHFFFAOYSA-N 434.861 4.426 5 20 IIBD CCOC(=O)C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(F)cc1 518929269 DAZVWXYPNXBCTQ-OAQYLSRUSA-N 446.478 4.105 5 20 IIBD CCOC(=O)CCNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 519976456 ZASZLNBBDPXOGA-UHFFFAOYSA-N 431.495 4.039 5 20 IIBD CCOc1cc(C(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)c([N+](=O)[O-])cc1OC 522521193 ZUXGWPIEYXVTOT-SSEXGKCCSA-N 434.514 4.302 5 20 IIBD O=C(NCC(=O)N(CCc1ccccc1F)C1CCCC1)c1c(Cl)cccc1[N+](=O)[O-] 522669188 IFUPIKXDNULCGW-UHFFFAOYSA-N 447.894 4.131 5 20 IIBD CC[C@H](C)C(=O)Nc1cccc(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c1 523955999 UCDXGRRDFCAXAB-AWEZNQCLSA-N 433.892 4.318 5 20 IIBD CCOCCCN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)[C@H](C)C1 524550882 LCSQRVVHLZTBRM-GCJKJVERSA-N 441.528 4.254 5 20 IIBD Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCN(C(=O)NCC(C)C)C3)n2)cc1[N+](=O)[O-] 525430764 YGDHULARCOQVEP-MRXNPFEDSA-N 445.545 4.043 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1 531980438 WXWSCIPQGXHWQY-INIZCTEOSA-N 441.509 4.345 5 20 IIBD Cc1cnc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c(Br)c1 533598396 UAJKFSJZSQBPDM-UHFFFAOYSA-N 434.168 4.254 5 20 IIBD C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cc(I)cc([N+](=O)[O-])c1 535023895 FFUFRXWTMHEUTD-VIFPVBQESA-N 446.191 4.311 5 20 IIBD COc1cc(S(=O)(=O)Nc2ccc(Br)cc2C(C)C)ccc1[N+](=O)[O-] 535509358 YRHGWRSVUUYWPV-UHFFFAOYSA-N 429.292 4.290 5 20 IIBD CCc1c(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])noc1-c1ccc(Cl)s1 535987770 AHCMSLJWAYEWLM-UHFFFAOYSA-N 443.890 4.337 5 20 IIBD CN(C(=O)c1ccc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 536076837 QJLFGZGJPGQMJV-UHFFFAOYSA-N 441.447 4.309 5 20 IIBD CCCCN1C(=O)CC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)[C@@H]1c1ccccc1OC 536196386 GGHJFILFXLADGB-VGSWGCGISA-N 441.484 4.028 5 20 IIBD COCCc1noc(CN(C)Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1 537616694 VTVJZCMMHMNPCC-UHFFFAOYSA-N 432.864 4.244 5 20 IIBD Cn1cc(CN2CCO[C@H](c3cccc(OC(F)F)c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 537620806 XQHBNSCMCOJZEO-FQEVSTJZSA-N 444.438 4.170 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](COc1ccccc1F)c1ccccc1 538165384 IDULCZBIMPFSCD-FQEVSTJZSA-N 439.443 4.091 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(OCCn2cncn2)c1 539339036 BDBMQMKUXHJJSP-UHFFFAOYSA-N 427.486 4.018 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1 540623330 SRBWQRZKJMVHHP-LJQANCHMSA-N 438.402 4.291 5 20 IIBD CN1CCN(CC2(C)CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)CC1 542689535 JBVMAOUYKXSDKI-UHFFFAOYSA-N 428.602 4.173 5 20 IIBD COc1cccc([C@H]2C[C@H](C)CN2C(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)c1 543368383 LKWSAEQTIQNWBD-HNAYVOBHSA-N 430.526 4.455 5 20 IIBD COc1ccc(Cn2ncc(C)c2NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1OC 544434732 WJGXZLBPWIMVLI-AWEZNQCLSA-N 442.447 4.047 5 20 IIBD Cn1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c2ccc(Cl)cc2)n1 547226911 UCPGSMSMMDOLCW-QGZVFWFLSA-N 436.802 4.103 5 20 IIBD O=C(Cc1noc(-c2ccc3[nH]c4ccccc4c(=O)c3c2)n1)Nc1cccc2ncccc12 554823735 NAJPDEKPNKHMJK-UHFFFAOYSA-N 447.454 4.461 5 20 IIBD Cc1c(Br)cc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)cc1[N+](=O)[O-] 561182964 KQMMLOLUEGTMQY-ZIFCJYIRSA-N 445.313 4.310 5 20 IIBD CCc1[nH]nc(C(=O)Nc2ccc(COc3ccc(Br)cc3)cc2)c1[N+](=O)[O-] 561645783 NZQHHOYQAHDJFG-UHFFFAOYSA-N 445.273 4.474 5 20 IIBD C[C@H](SCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)Nc1ccc2c(c1)OCO2 561743533 ORZBMZKUSVURGM-LBPRGKRZSA-N 427.438 4.239 5 20 IIBD CCc1nnc(CNc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])s1 575805807 CHGUONHWFLPMCP-UHFFFAOYSA-N 447.542 4.038 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H](C)C1CCCCC1 578458311 PCRBOOBAXDOFHE-NWDGAFQWSA-N 426.311 4.017 5 20 IIBD CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 579999710 AUSVEHRPCRFSOA-UHFFFAOYSA-N 444.875 4.424 5 20 IIBD COc1ccc(Cc2noc([C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)cc1F 582672881 LBSXNNFPEAQLMK-GOSISDBHSA-N 440.431 4.002 5 20 IIBD CCOC(=O)c1cc(-c2nc(C3(c4ccc(C)cc4)CCOCC3)no2)cc([N+](=O)[O-])c1 589155648 RXLGNLGQGKMASH-UHFFFAOYSA-N 437.452 4.226 5 20 IIBD COc1cc(C(=O)NC[C@]2(O)CCC[C@@H]2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 590525472 QYENYPLDGQOYIY-YEJXKQKISA-N 434.876 4.330 5 20 IIBD C[C@@H](Sc1nnc(COc2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1[N+](=O)[O-] 592947521 MISFKVQZAWVPJT-LLVKDONJSA-N 434.861 4.330 5 20 IIBD Cc1ccc(CCNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)o1 603624061 SFKZZUUFIXOMQK-UHFFFAOYSA-N 430.464 4.250 5 20 IIBD COc1ccc([C@@H](NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cc1 603702728 OUXKBRJLLCUJKR-FQEVSTJZSA-N 439.855 4.101 5 20 IIBD COc1cc([C@H](C)NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OC1CCCC1 603719194 OVCCPUSGZPXAJH-HNNXBMFYSA-N 441.484 4.049 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)Nc2ccc(CCCc3ccccc3)cc2)cc1[N+](=O)[O-] 608809005 MUQIVQYUDSDPKR-UHFFFAOYSA-N 438.505 4.426 5 20 IIBD Cc1ccc(C(=O)Nc2nc3ccc(NC(=O)c4cc([N+](=O)[O-])c[nH]4)cc3s2)s1 608817831 FNMQBSIJHQAEOD-UHFFFAOYSA-N 427.467 4.407 5 20 IIBD Cn1cc(CNCc2cccc(OCc3ccccn3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 608836186 NFFAQPKMSVMBOO-UHFFFAOYSA-N 429.480 4.259 5 20 IIBD CCOc1ccc(Br)cc1NC(=O)c1cc(OC)c(OCC)cc1[N+](=O)[O-] 609065802 VYFWXEGFBHNFCO-UHFFFAOYSA-N 439.262 4.416 5 20 IIBD COC(=O)c1ccc2c(c1)CN(C(=O)c1ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c1)C2 609301372 ZRNUCPQBAQLABH-OAHLLOKOSA-N 446.463 4.106 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccc(-c4cncnc4)cc3)cc2)c(C)c1[N+](=O)[O-] 609788923 OOBBOXHSTHNSAM-UHFFFAOYSA-N 428.452 4.166 5 20 IIBD CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 609865816 IOAKGOLZVJBKAO-RBZFPXEDSA-N 428.876 4.155 5 20 IIBD O=C(Nc1ccc(F)cc1)c1ccc(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 610760836 OKLUPECWEGAPPB-UHFFFAOYSA-N 437.427 4.047 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C(F)(F)F)CC[C@H]1C 611549494 UUQMJOWBRFSCNH-NEPJUHHUSA-N 434.436 4.053 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([C@@H]2CCCCCN2C(C)=O)CC1 613182228 RFCXTLWXWHAIOQ-OFNKIYASSA-N 429.561 4.193 5 20 IIBD Cc1cc(NC(=O)N2CCOC[C@@H]2c2c(C)nn(-c3ccccc3)c2C)ccc1[N+](=O)[O-] 613784388 GSEDDPLWYVCQSK-OAQYLSRUSA-N 435.484 4.311 5 20 IIBD COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cc1NC(N)=O 618885298 KZIZIZLAHHLVSF-UHFFFAOYSA-N 430.486 4.381 5 20 IIBD CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 725746094 CBXHFPULCWHTKD-MRXNPFEDSA-N 446.529 4.190 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)ccc1[N+](=O)[O-] 725947880 JOHAWJSPGHDWEZ-INIZCTEOSA-N 434.448 4.378 5 20 IIBD CSc1cccc(N(C)C(=O)c2cc([N+](=O)[O-])ccc2I)c1 726152104 QDYSXVILOISKKD-UHFFFAOYSA-N 428.251 4.198 5 20 IIBD C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)OCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 728350446 NXIUSYXOLPPHKH-GOSISDBHSA-N 448.475 4.159 5 20 IIBD Cc1cc(C(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)c(N)c([N+](=O)[O-])c1 729519527 XJCRMWCUUMWAIP-UHFFFAOYSA-N 426.376 4.289 5 20 IIBD CSc1ccc(N(C)C(=O)c2cc([N+](=O)[O-])ccc2I)cc1 732939874 JXLJRWXJSIPENU-UHFFFAOYSA-N 428.251 4.198 5 20 IIBD Cc1ccc(-n2c(SCc3cc([N+](=O)[O-])ccc3Cl)nnc2N2CCOCC2)cc1 735414827 UOOFXJUPAPKVQF-UHFFFAOYSA-N 445.932 4.266 5 20 IIBD CCO[C@@H](C)c1nc(COC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cs1 736765371 VCAWTTARICPLQJ-HNNXBMFYSA-N 444.513 4.367 5 20 IIBD COc1cc(C(=O)Oc2ccc(OCc3nc(C(C)(C)C)no3)cc2)ccc1[N+](=O)[O-] 741582873 AVFCZFGYHMIRJB-UHFFFAOYSA-N 427.413 4.082 5 20 IIBD COc1cccc(O[C@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c1 742018404 NALGVOZCSJIBQX-QGZVFWFLSA-N 427.501 4.037 5 20 IIBD C/C(=C\C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(F)cc1 743069748 CNEKRCMFORNFQU-DHZHZOJOSA-N 426.322 4.338 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 743343497 USBYIKIBLOPVGH-UHFFFAOYSA-N 427.438 4.207 5 20 IIBD C[C@H](OC(=O)C(C)(C)c1ccc(Br)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 744757481 OTDLZIDHYSOUAA-LBPRGKRZSA-N 435.274 4.205 5 20 IIBD O=C(COC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)Nc1ccc(F)c([N+](=O)[O-])c1 745348763 RWCWPOPOCUXSBO-KBPBESRZSA-N 427.215 4.326 5 20 IIBD C[C@H](OC(=O)C[C@@H](C)C(=O)c1cccc(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 746084936 AHZNDDRKFHRAPD-NEPJUHHUSA-N 436.823 4.167 5 20 IIBD Cc1c(C(=O)O[C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748946910 JXYKYWBNCDZRFK-ZFWWWQNUSA-N 447.469 4.090 5 20 IIBD Cc1cc(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c2ccccc2n1 750582814 IBKXJFFRBSCZQR-UHFFFAOYSA-N 426.270 4.412 5 20 IIBD COc1ccccc1OCCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 750864694 RWTUBEIZJNKCLJ-UHFFFAOYSA-N 443.681 4.218 5 20 IIBD COc1ccc(O[C@H](C)CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cc1 750891182 UNYIBLRJIONVNL-SNVBAGLBSA-N 443.681 4.217 5 20 IIBD O=C(N[C@H](c1ccc2c(c1)OCCO2)C1CC1)c1cc([N+](=O)[O-])ccc1Br 751095948 PFKRGEVADKEYEW-SFHVURJKSA-N 433.258 4.010 5 20 IIBD Cc1cc(CN2CCSCC2)ccc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 751125529 MNBMDPHSPINBKY-UHFFFAOYSA-N 444.513 4.229 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(NCc2ccc(COC3CCOCC3)cc2)cc1Cl 751928671 SNJJKHQIPXPYBD-UHFFFAOYSA-N 434.876 4.343 5 20 IIBD O=C(NCc1cccc(CN2CCCC2)c1)c1cc(F)cc([N+](=O)[O-])c1Br 754981537 OXWSWINHQMMUJD-UHFFFAOYSA-N 436.281 4.022 5 20 IIBD COCCCOc1cc(C)ccc1CNC(=O)c1cc([N+](=O)[O-])ccc1Br 755454289 PBPQCAMNWMXEQG-UHFFFAOYSA-N 437.290 4.011 5 20 IIBD CC(=O)N1CC[C@@H](COC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1 758543548 ARNFFLQSNXOVIG-CQSZACIVSA-N 434.901 4.425 5 20 IIBD Cn1cc(C(=O)NCC[C@H](O)c2ccc(Cl)c(Cl)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 760729665 MLMISOGYABRDPF-SFHVURJKSA-N 449.294 4.156 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 762621152 DOQFAGPAVLUYPF-GJZGRUSLSA-N 437.512 4.163 5 20 IIBD CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1c3c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO3)CCC2 762721375 RGIOFZLEQFXVHK-INIZCTEOSA-N 441.440 4.205 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)N[C@H](C)c1ccccc1OC 763815520 UYIARPNBAUAJCM-KGLIPLIRSA-N 432.498 4.138 5 20 IIBD CCc1ccc2c(c1)[C@H](OC(=O)c1ccc(Sc3nncn3C)c([N+](=O)[O-])c1)CCO2 765180125 VFPATUIYTBTXMZ-GOSISDBHSA-N 440.481 4.118 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])c2cccnc12)N[C@H](c1ccccc1)C1CCCC1 766231980 OWDRFHDJUMQVBW-JOCHJYFZSA-N 433.464 4.348 5 20 IIBD COc1ccc([C@@H](OC(=O)CCn2cc([N+](=O)[O-])nc2C)c2ccc(OC)cc2C)cc1 766729532 QOGSBAVTNSURID-HSZRJFAPSA-N 439.468 4.148 5 20 IIBD CC(C)(C)OC(=O)NCCN(Cc1ccccc1)Cc1nc2cc([N+](=O)[O-])ccc2o1 767034634 JHZSXEGIOOGPIU-UHFFFAOYSA-N 426.473 4.263 5 20 IIBD CC(C)n1c(S)nnc1CNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 767977115 UMRVHMWYGFODGA-UHFFFAOYSA-N 429.527 4.137 5 20 IIBD COC(=O)CC(C)(C)C(=O)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 769133605 HYIBAISHWTZDNE-GOSISDBHSA-N 448.859 4.061 5 20 IIBD C[C@@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@@H]1NC(=O)OC(C)(C)C 769422997 LEHFVVFBEHSVEG-KDOFPFPSSA-N 432.546 4.453 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(Cc3cc4ccccc4nc3N3CCOCC3)CC2)cc1 769482426 BCJZCXGWJHQKQB-UHFFFAOYSA-N 448.523 4.023 5 20 IIBD C[C@H](OC(=O)c1ccc(C(=O)OC(C)(C)C)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 771129197 ZIZOQUJQVNPHRO-LBPRGKRZSA-N 448.859 4.388 5 20 IIBD Cc1cccc(-c2nc(C)c(C(=O)OCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])[nH]2)c1 772108241 JQIQFWYBWZLHDF-UHFFFAOYSA-N 428.832 4.051 5 20 IIBD C[C@@H](OC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 772111437 IXYFVWQWDTWERE-CQSZACIVSA-N 443.456 4.055 5 20 IIBD O=[N+]([O-])c1ccc2nc(CNc3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])[nH]c2c1 774693840 VKWFLCYLAXGLNO-UHFFFAOYSA-N 432.265 4.041 5 20 IIBD CC(C)c1cc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc(O)n1 775043164 NYRKQZNEPVDZKM-SNVBAGLBSA-N 441.362 4.022 5 20 IIBD CCOC(=O)c1cc(C(=O)N(Cc2ccccn2)c2ccc(N(C)C)cc2)cc([N+](=O)[O-])c1 776384483 BFYMVKYZKUWYJI-UHFFFAOYSA-N 448.479 4.080 5 20 IIBD CCN(CC1CCN(C(=O)c2cccc(SC)c2[N+](=O)[O-])CC1)C(=O)OC(C)(C)C 777160595 DFRXPYORAXRJBE-UHFFFAOYSA-N 437.562 4.426 5 20 IIBD COC(=O)c1ccc(-c2nc(COC(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)cs2)cc1 778168875 FDJRPMRXDKYCAW-UHFFFAOYSA-N 448.403 4.340 5 20 IIBD O=[N+]([O-])c1ccc(I)c(OCc2coc(-c3cccs3)n2)c1 780345616 KTIVPUCWAYJJRH-UHFFFAOYSA-N 428.207 4.495 5 20 IIBD CCO[C@@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1(C)C 780857446 YKKQSVWKRLMALA-TUVUNVSASA-N 449.548 4.179 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCC(c2nc3ccccc3s2)CC1 781562675 BKERRGUREQPVQK-UHFFFAOYSA-N 440.481 4.452 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)Nc2ccc(OC(C)C)cc2)cc1[N+](=O)[O-] 783063430 RDAVAUHQZUYKOM-UHFFFAOYSA-N 436.262 4.030 5 20 IIBD O=C(CCC[S@@](=O)c1ccc(Br)cc1)OCc1ccc([N+](=O)[O-])c(F)c1 783699946 XMEFQEXTOUYVBE-AREMUKBSSA-N 444.278 4.128 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])c(F)c1)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 783907569 JCIIKUXUZVLPCP-SFHVURJKSA-N 443.258 4.157 5 20 IIBD CC(C)c1ccccc1NC(=O)[C@H](C)OC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 786785692 DFJNYIZGVOBKMY-HNNXBMFYSA-N 437.452 4.216 5 20 IIBD O=C(OCc1ccc(Cl)nc1C(F)(F)F)c1cc(O)nc2ccc([N+](=O)[O-])cc12 787706478 ADLXQCIQRVYFBV-UHFFFAOYSA-N 427.722 4.273 5 20 IIBD Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N(CCC(F)(F)F)CC1CC1 790030992 GWAUIULZBAJGBR-UHFFFAOYSA-N 445.257 4.019 5 20 IIBD COC1CCC(CCNC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC1 790816867 QWDURXYTGSRLNK-UHFFFAOYSA-N 440.338 4.020 5 20 IIBD CCCC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)cc1 791691376 GIMRVUPWCPUDAP-CQSZACIVSA-N 428.441 4.079 5 20 IIBD Cc1cc([C@H](OC(=O)CCn2cc([N+](=O)[O-])cn2)C(F)(F)F)ccc1Br 792136695 DNOSBIXZBQFNJF-AWEZNQCLSA-N 436.184 4.099 5 20 IIBD C[C@H](Oc1ccc(C=O)cc1)C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 794845623 CDNFZSSZGYEYCT-HNNXBMFYSA-N 434.404 4.033 5 20 IIBD O=C(Nc1ccccc1)c1cccc(C(=O)O[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 797137841 RQDNQSFQVSTRPU-WOJBJXKFSA-N 434.452 4.384 5 20 IIBD COc1ccc(OC(C)C)c(NC(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2O)c1 798290012 GACMLCBZSJWPMW-UHFFFAOYSA-N 446.847 4.188 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCCC3(CCN(C)CC3)C2)cc1 799031863 VOIVATZMXPQIHM-UHFFFAOYSA-N 439.512 4.344 5 20 IIBD CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 800212071 BOJYVSHNFQFVQK-RUDMXATFSA-N 436.295 4.080 5 20 IIBD CCCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)[C@H](C)CC(=O)Nc1ccccc1 800237772 JCDSIMQNQFPXAR-CQSZACIVSA-N 428.445 4.081 5 20 IIBD Cc1cccc(C(=O)NC[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)c1[N+](=O)[O-] 803459962 QCBXWTFSTOCPGM-LJQANCHMSA-N 425.485 4.168 5 20 IIBD O=C(c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O)N1CC[C@@H]1c1ccc(Cl)cc1 804373314 YCVYFPWXAPQQRX-CQSZACIVSA-N 433.251 4.380 5 20 IIBD O=C(N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1cc(Cl)ccc1[N+](=O)[O-] 809028752 FVOXPWQASJVELN-GOSISDBHSA-N 428.794 4.399 5 20 IIBD COc1cccc(CCC(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1OC 811219059 KQPRVRVZIURHKS-UHFFFAOYSA-N 428.466 4.412 5 20 IIBD COc1cccc(CN(CCN(C)C)C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 813224496 QADIKNNITUIBNP-UHFFFAOYSA-N 426.300 4.114 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 813304549 CQCUNLQMXVEMKJ-UHFFFAOYSA-N 431.451 4.462 5 20 IIBD Cc1nc(C(C)C)oc1C(=O)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 814327429 LPMOUYLTELZDCX-KRWDZBQOSA-N 429.473 4.256 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCN(C(=O)Cc3ccccc3[N+](=O)[O-])C2)C1 814431327 LOYJCKUZDUMXAD-OALUTQOASA-N 431.533 4.023 5 20 IIBD CC(C)[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@H]1CCOc2ccccc21 877121055 XFGTXOAOTNYSSP-HKUYNNGSSA-N 432.860 4.070 5 20 IIBD CC(C)(C)OC(=O)NCCN1C(=O)c2ccccc2N[C@H]1c1cc([N+](=O)[O-])ccc1Cl 877855752 ZXKSRYJSKAVMBQ-GOSISDBHSA-N 446.891 4.339 5 20 IIBD CCCCCN(C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(C)C 914682492 YJWDORIMTJZECT-UHFFFAOYSA-N 434.514 4.403 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2SC(F)(F)F)c([N+](=O)[O-])c1 914946568 LOXGQQJMARWLPE-SNVBAGLBSA-N 444.387 4.399 5 20 IIBD Cc1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2I)C2CC2)cc1 915280214 DUSOQKMEWNXUSJ-QGZVFWFLSA-N 436.249 4.389 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc3ccc(Br)cc3s2)ccc1Cl 916111005 OLGODKSGQVKXNG-UHFFFAOYSA-N 448.707 4.421 5 20 IIBD CC(C)C[C@@H](NC(=O)COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccc1 917659010 KZVOTQVTAYNWOO-HXUWFJFHSA-N 439.512 4.255 5 20 IIBD COc1ccccc1CCC(=O)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 918638893 WAAWTXCUWNFKAE-HXUWFJFHSA-N 440.496 4.164 5 20 IIBD CC(C)(C)OC(=O)NC[C@]1(C)CCN(Cc2ccc([N+](=O)[O-])cc2Br)C1 1321752812 SZBSNDOALJJXJJ-SFHVURJKSA-N 428.327 4.094 5 20 IIBD O=[N+]([O-])c1cc(-c2nnc(-c3ccccc3NS(=O)(=O)c3cccs3)o2)cs1 1322178858 JJJJKTIITFOULX-UHFFFAOYSA-N 434.480 4.236 5 20 IIBD Cn1cc([C@@H](NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc2)cn1 1337662454 SSVKVVIKCHRSFJ-FQEVSTJZSA-N 447.417 4.055 5 20 IIBD O=C([C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1338432282 ZJUQJWFGFKANJM-MSOLQXFVSA-N 434.323 4.350 5 20 IIBD CC(C)(c1nnc([C@H]2Cc3ccccc3CN2Cc2ccccc2)o1)n1cc([N+](=O)[O-])cn1 1341611871 HKGIUIHPWLUSDQ-OAQYLSRUSA-N 444.495 4.257 5 20 IIBD Cc1cnc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CCC2)s1 1785748133 KJKAANQWLZRAHW-UHFFFAOYSA-N 426.454 4.014 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@@H]3CCC(F)(F)C3)CCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 1790183807 SYWJZQQHDXRKIJ-CYBMUJFWSA-N 432.427 4.106 5 20 IIBD Cc1cc(CCCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@]2(C)C[C@@H]2C)c([N+](=O)[O-])cc1F 1799942773 MUAKOUUVIOXTSA-VIMSGSBQSA-N 445.535 4.049 5 20 IIBD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC([C@H]2CCCCN2C(=O)/C=C/C2CCCCC2)CC1 1830355614 FZJCAOZEJHWQCK-VZOQVYJPSA-N 442.560 4.293 5 20 IIBD CCC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)CCC1 1830704919 RRHRGSGKIFSIKD-NRFANRHFSA-N 443.544 4.114 5 20 IIBD Cc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C2)cc1 1845739292 FRHKXAOWHQXUAB-UHFFFAOYSA-N 435.505 4.249 5 20 IIBD CN(C)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2 8620661 SAFOGXVJBYNXNG-SAPNQHFASA-N 445.475 4.265 5 20 IIBD O=C(Nc1cccc(Cl)c1N1CCOCC1)c1ccc(Br)c([N+](=O)[O-])c1 9906569 MXTZTAILJODGHH-UHFFFAOYSA-N 440.681 4.100 5 20 IIBD CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 18092608 HKCPPGVXAWGMEM-UHFFFAOYSA-N 439.921 4.148 5 20 IIBD C[C@H](Sc1nc2ccccc2c(=O)n1C1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 18964612 QCCNXOVZFXSZFN-NSHDSACASA-N 444.900 4.412 5 20 IIBD CCOc1cc(C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OC 19472860 RANBBQRSDKJXCE-UHFFFAOYSA-N 443.239 4.104 5 20 IIBD C[C@H]1CCCC[C@@H]1NC(=O)COc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1 21283808 FNKKHFXDURJXHX-BTYIYWSLSA-N 436.464 4.442 5 20 IIBD C[C@H](OC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 21665322 PBKNPLRSMQCBJP-INIZCTEOSA-N 440.477 4.338 5 20 IIBD COC(=O)c1cc(C(=O)Nc2c(-c3ccccc3)nc3c(C)cccn23)cc([N+](=O)[O-])c1 21831945 ZCFAVAKUSNCFPD-UHFFFAOYSA-N 430.420 4.257 5 20 IIBD CC(=O)c1ccc(-c2ccc(C(=O)O[C@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)o2)cc1 22880015 HARDETJEYOYTLG-CYBMUJFWSA-N 440.383 4.381 5 20 IIBD COc1cc(C)c(CN(C)Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1OC 24803525 CLAXLNQREAPVKZ-UHFFFAOYSA-N 426.416 4.162 5 20 IIBD COc1ccc([C@@H]2CCCN2CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 25414056 JMNGCFBBPZGEMG-SFHVURJKSA-N 434.290 4.142 5 20 IIBD O=C(Nc1cccc(COc2cccc(F)c2)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 26010105 BWJDJTMJSUHUGR-UHFFFAOYSA-N 433.399 4.146 5 20 IIBD O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 27803276 JMPJLUFGCSWLKV-UHFFFAOYSA-N 433.136 4.357 5 20 IIBD CCn1c(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)nc2sc(C)c(C)c2c1=O 31839388 CYWJRPKQLOISNZ-UHFFFAOYSA-N 443.510 4.345 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@@H](c3ccccc3)c3ccccn3)cc2)c(C)c1[N+](=O)[O-] 45950179 SQGHSUMSCSWRNE-QHCPKHFHSA-N 441.491 4.371 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)cc([N+](=O)[O-])c1 63984981 ILRZTRKXJFLURN-UHFFFAOYSA-N 430.420 4.032 5 20 IIBD CCS(=O)(=O)Nc1ccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1C 65111836 XJFPJPFYCCINHD-UHFFFAOYSA-N 446.510 4.041 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H]1CCCN1C(=O)c1cccs1 69157872 BNRZWUHLWGAABC-HNNXBMFYSA-N 428.495 4.023 5 20 IIBD Cc1ccc(C(C)C)c(Oc2ccc(CNC[C@H]3CCS(=O)(=O)C3)cc2[N+](=O)[O-])c1 236741840 PJEXMOUONOVDSO-GOSISDBHSA-N 432.542 4.343 5 20 IIBD COc1ccc(Cl)cc1N1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 301175602 LGEAMWLFQBFSQL-KRWDZBQOSA-N 444.919 4.184 5 20 IIBD O=C(N[C@H]1CCc2ccc(-c3ccccc3)cc21)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 426188649 WAWUTSXAGDAKIG-QFIPXVFZSA-N 431.496 4.492 5 20 IIBD CCOc1ccc([C@@H](C)NC[C@@H](CO)Cc2cccc(Br)c2)cc1[N+](=O)[O-] 429451725 YAZHLRXYBJJCSG-ZBFHGGJFSA-N 437.334 4.258 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccccc1NC(=O)C[C@H]1C=CCC1 432494381 NFWMZZPFLNHLAP-INIZCTEOSA-N 446.463 4.455 5 20 IIBD CCCc1c(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)cnn1-c1ccc(C)cc1 432562320 JTAZPQFYCMNUKA-UHFFFAOYSA-N 440.525 4.378 5 20 IIBD C[S@@](=O)C1(CNC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CCC1 438133600 VSINARWJKJHORA-MUUNZHRXSA-N 438.958 4.430 5 20 IIBD Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(C(=O)N(C)C2CCOCC2)cc1 439147609 NWRVCJKVGBMTRL-UHFFFAOYSA-N 431.876 4.060 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](CC(F)(F)F)c1ccccc1C 440022009 YNWVAOSVBJMAHH-INIZCTEOSA-N 439.390 4.050 5 20 IIBD CC[C@@]1(C)Oc2ccc(NC(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)cc2O1 442980164 VSEIQDSPZLRIJQ-FQEVSTJZSA-N 441.469 4.024 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 444245126 KGLITDOBXHFSDB-LHSJRXKWSA-N 437.490 4.048 5 20 IIBD CCOC(=O)[C@@H](Cc1ccccc1Cl)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 444325547 GFKHRGGBJHCPCS-JOCHJYFZSA-N 448.906 4.239 5 20 IIBD CN(CCOc1ccccc1Cl)C(=O)Cc1ccc([N+](=O)[O-])cc1Br 445750188 JGLFVDLACHIFBP-UHFFFAOYSA-N 427.682 4.091 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CCn2c(cc3c(Cl)cccc32)C1 446515443 OLHMZUOBPZSLEM-UHFFFAOYSA-N 436.855 4.172 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OCC(F)(F)F)cc2)c(C(F)(F)F)c1 446987554 SOXYKEZLCVQLHD-UHFFFAOYSA-N 444.309 4.356 5 20 IIBD COC(=O)c1cc(OC)ccc1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 447392214 MCYHKSKMAHLXAI-UHFFFAOYSA-N 436.420 4.221 5 20 IIBD Cc1cn(-c2ncccc2F)nc1NC(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 448182685 YAXJPIGXUNZONX-UHFFFAOYSA-N 443.504 5.014 5 20 IIBD CCN(CC(=O)Nc1c(C)cccc1C)C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 460660732 HFJRUCVFDUOWKF-HNNXBMFYSA-N 433.892 4.120 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CCO)c1ccccc1Br 462759116 WPYOXBBOWDEPFB-BEFAXECRSA-N 435.318 4.166 5 20 IIBD COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC3 463411344 DACXIXFCQPIXKB-UHFFFAOYSA-N 447.369 4.080 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)cc1SC 464901577 HIBDMOLBELWVIO-INIZCTEOSA-N 429.542 4.062 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(Oc3nc(C)cs3)c(F)c2)c([N+](=O)[O-])c1 470266609 KTJMFMXQYHUBKV-UHFFFAOYSA-N 439.446 4.101 5 20 IIBD C[C@@H]1CN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C[C@H](c2ccsc2)O1 470710709 HELCHUYEUCFUHO-BDJLRTHQSA-N 430.404 4.200 5 20 IIBD CCC(=O)c1ccc(Cl)c(NC(=O)c2cc(OC)c(OCCOC)cc2[N+](=O)[O-])c1 471429199 TVRVFWRPUPNWKF-UHFFFAOYSA-N 436.848 4.127 5 20 IIBD NC(=O)c1ccc(CN2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 473182339 NLNXOAHWCANGPW-QGZVFWFLSA-N 425.432 4.003 5 20 IIBD COc1cc(CCNC(=O)c2ccc3nc(-c4ccccc4)oc3c2)c([N+](=O)[O-])cc1OC 474438938 YHTCUVPNCYGKFT-UHFFFAOYSA-N 447.447 4.393 5 20 IIBD CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cc1 475560409 NTKISGZSICAFRN-KRWDZBQOSA-N 442.516 4.389 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N[C@H]2CC[C@H](c3cccc(F)c3)C2)cc1[N+](=O)[O-] 478221087 BDKOYTWJTONVLN-YOEHRIQHSA-N 441.488 4.080 5 20 IIBD Cc1cc(OCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c(F)cc1[N+](=O)[O-] 479198483 XDZITPYIKLDQSX-UHFFFAOYSA-N 429.429 4.374 5 20 IIBD CCc1c(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cnn1-c1cccc(C(F)(F)F)c1 482700278 PSEUYUCOVHIXIP-UHFFFAOYSA-N 436.394 4.461 5 20 IIBD CCOC(=O)Cn1ccc2cc(NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)ccc21 482850350 SNLOAEOZNWKPKL-UHFFFAOYSA-N 436.468 4.309 5 20 IIBD COc1ccccc1-c1nc(C2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)no1 484323714 SFZGHSVHKFNZND-UHFFFAOYSA-N 435.440 4.174 5 20 IIBD Cc1cc(OCc2nc(C(C)(C)NC(=O)c3cccc(Cl)c3)no2)ccc1[N+](=O)[O-] 485352474 CLYLDMGUYQXLCM-UHFFFAOYSA-N 430.848 4.184 5 20 IIBD C[C@@H]1CCN(CCOc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)cc2)C1 485803062 WOTUCSTYXRGQMQ-CQSZACIVSA-N 435.427 4.169 5 20 IIBD CC(C)C(=O)N1CCCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 487583232 OCBUDGBLOPOKQU-UHFFFAOYSA-N 427.526 4.077 5 20 IIBD Cc1ccc(NCCCNC(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)c([N+](=O)[O-])c1 495202194 NMSMCNSAAMGQPE-LLVKDONJSA-N 431.440 4.241 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1nc(O)c2c3c(sc2n1)C[C@@H](C)CC3 495520207 BECNJVRNEPROIR-NSHDSACASA-N 426.498 4.310 5 20 IIBD CCN(C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)[C@H](c1ccc(C)cc1)c1cccnc1 496551474 KVQSABLIKZZMGS-WZONZLPQSA-N 446.507 4.055 5 20 IIBD CCOc1cc(NC(=O)NCc2cccnc2OC2CCCC2)c([N+](=O)[O-])cc1OCC 499766479 BVJFDIGIMNCRMD-UHFFFAOYSA-N 444.488 4.430 5 20 IIBD COc1ccc(CN(CC2CC2)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c(OC)c1 501694589 OLOXETZGNCLIOF-UHFFFAOYSA-N 436.411 4.266 5 20 IIBD COc1cccc(OC)c1OC1CCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 501959743 XJHIAGWNYGRGME-HNNXBMFYSA-N 446.525 4.163 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N1CCCSc2ccccc21 502705488 MGBAIWDNKWVBAH-UHFFFAOYSA-N 440.262 4.342 5 20 IIBD CC1CCN(c2nnc(SCc3c(F)cccc3[N+](=O)[O-])n2C[C@H]2CCCO2)CC1 504513991 QGNJTAMWAVCSPL-OAHLLOKOSA-N 435.525 4.033 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1cccc(C(=O)N2CCc3ccccc32)c1 506517452 GAMWDIOJDHLUSV-UHFFFAOYSA-N 445.479 4.031 5 20 IIBD C[C@H](Cc1ccc(Cl)cc1Cl)Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] 507027955 PUWLOQWOBGEKTJ-CYBMUJFWSA-N 438.311 4.417 5 20 IIBD CN(C(=O)CN[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 510453183 SLGJGCQSQICDIG-MRXNPFEDSA-N 433.333 4.052 5 20 IIBD O=C(Nc1ccccc1)C1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 510817163 PSMCLMNZGPXDDR-UHFFFAOYSA-N 434.399 4.079 5 20 IIBD COc1cc(CNc2cccc(N3CCNC3=O)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 513581952 DXVCQPCTPFZSQD-UHFFFAOYSA-N 448.479 4.324 5 20 IIBD Cn1ccnc1[C@@H](NCc1cc(Cl)c2c(c1)OCCCO2)c1cccc([N+](=O)[O-])c1 513666111 JVHHAXIVJUAYME-IBGZPJMESA-N 428.876 4.022 5 20 IIBD CCCCc1ccc(-c2cc(NC(=O)Cn3cnc([N+](=O)[O-])n3)n(-c3ccccc3)n2)cc1 515490166 UKLQNNSXPMRRQC-UHFFFAOYSA-N 445.483 4.020 5 20 IIBD COc1cc(CCNC(=O)Nc2ccc(-c3ccccc3)c(C)n2)c([N+](=O)[O-])cc1OC 516690449 PEKNHNRRRRILSZ-UHFFFAOYSA-N 436.468 4.347 5 20 IIBD CC(C)(C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1)n1cc([N+](=O)[O-])cn1 521493903 SREZSBQDEYCYNP-UHFFFAOYSA-N 435.362 4.371 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCC[C@H]1c1ccncc1 524049780 XVCBNBMSZPNDRH-KRWDZBQOSA-N 432.267 4.460 5 20 IIBD CN(C)C(=O)c1cccc(CCNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c1 525052562 QUJHMBUKVWFXGZ-UHFFFAOYSA-N 432.480 4.013 5 20 IIBD O=C(Nc1ccc(I)cn1)c1cc2cc([N+](=O)[O-])ccc2s1 525563942 WHZMYCKRKZVJPG-UHFFFAOYSA-N 425.207 4.061 5 20 IIBD CCOc1ccc(NC(=O)COc2ccc(Br)cc2[N+](=O)[O-])cc1OCC 525627598 AUPCDEWUTAQXKL-UHFFFAOYSA-N 439.262 4.172 5 20 IIBD COc1ccc(CNC[C@@H]2CCCn3cc(C)nc32)cc1OCc1ccc([N+](=O)[O-])cc1 525696361 KCDBIPOKPMFBED-FQEVSTJZSA-N 436.512 4.355 5 20 IIBD COc1ccc(C(=O)Nc2ncnc3c2c(C)c(C)n3Cc2ccccc2)cc1[N+](=O)[O-] 527334558 GMMGDGFWGHJURG-UHFFFAOYSA-N 431.452 4.266 5 20 IIBD O=C(Nc1cccc(CNCCn2cc([N+](=O)[O-])cn2)c1)c1ccc(Cl)cc1Cl 533187288 LTRXQHCXTIWQRZ-UHFFFAOYSA-N 434.283 4.140 5 20 IIBD Cc1occc1C(=O)Nc1cc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)ccc1F 534039326 MPLZSSNJWJZWHM-UHFFFAOYSA-N 426.404 4.252 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@@H](C)c3ccc([S@@](C)=O)cc3)cc2[N+](=O)[O-])C1 535205091 FYVSGHSJUHSUSH-MRZJBTPZSA-N 443.569 4.306 5 20 IIBD CS[C@@H](CO)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 536411589 AAIPHHCCRQRFRU-DIFFPNOSSA-N 426.947 4.242 5 20 IIBD CN1CCC(N2CCC(CCN(C)Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)CC1 537622526 BLYVTHMRLXHURG-UHFFFAOYSA-N 440.588 4.483 5 20 IIBD COc1cc(-c2noc(CN[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)n2)ccc1OC(F)F 538277351 QMDUFJNDHWIGCP-GFCCVEGCSA-N 434.399 4.414 5 20 IIBD COc1cc(CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)cc(Br)c1OC 538812114 YFIFDHDHKVWRAD-UHFFFAOYSA-N 437.290 4.230 5 20 IIBD CCCN1C(=O)CCc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3SCCOC)ccc21 539147517 APRZUFVGFGSQAP-UHFFFAOYSA-N 443.525 4.275 5 20 IIBD O=C(CN[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc21 540521847 WPTKHLZBSYFKHY-KRWDZBQOSA-N 447.335 4.396 5 20 IIBD C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(N2CCCC2=O)c1 543163358 IQVPQKXDHDYYMQ-ZDUSSCGKSA-N 433.917 4.345 5 20 IIBD CCc1ccccc1-n1cnnc1SCc1nc(Cc2ccc([N+](=O)[O-])c(C)c2)no1 546557113 CDYXHIQGWYOCML-UHFFFAOYSA-N 436.497 4.312 5 20 IIBD COc1cc(CCc2nc(Cc3ccccc3[N+](=O)[O-])no2)ccc1OCC(F)(F)F 546948965 YNFHWXPRGXKHLL-UHFFFAOYSA-N 437.374 4.304 5 20 IIBD O=c1oc2cc([N+](=O)[O-])ccc2n1CCCc1nc(COc2ccc3ccccc3c2)no1 547056932 PFQRGIOGMDQBRU-UHFFFAOYSA-N 446.419 4.251 5 20 IIBD O=C1NC2(CCCC2)C(=O)N1c1cccc(CN[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 555003333 XAWFSZFJXXRDBO-NRFANRHFSA-N 448.523 4.075 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCC(c3cccc(F)c3F)CC2)c(C)c([N+](=O)[O-])c1 558949840 OSAMKLSUGIBHKV-UHFFFAOYSA-N 433.411 4.380 5 20 IIBD CC(C)Cn1c(Cc2ccccc2Cl)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 559078485 VGGVIXTVOPSXFF-UHFFFAOYSA-N 443.939 4.125 5 20 IIBD O=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)c1c([N+](=O)[O-])cccc1C(F)(F)F 567148294 LEBLTNWASQVOSR-UHFFFAOYSA-N 444.291 5.070 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[C@H](n4cc(Cl)cn4)C3)cc2[N+](=O)[O-])C1 572535539 FEPSPZIXTSHXQQ-RKVPGOIHSA-N 431.924 4.014 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H](NC[C@@H]1CCCOC1)c1ccccc1 579622586 VUQGQQMTGMAGLX-IFXJQAMLSA-N 448.317 4.053 5 20 IIBD CC[C@@H](c1ccccc1OC)N(C)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 588145522 KERQFWNGPPWIMY-AWEZNQCLSA-N 443.319 4.138 5 20 IIBD O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 589056750 OTSQXXABRWAFAM-MRXNPFEDSA-N 430.766 4.361 5 20 IIBD CCOc1cccc2cc([C@@H](C)NC(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)oc12 603550120 YZOZALVZOYPUET-MRXNPFEDSA-N 438.484 4.333 5 20 IIBD COc1ccc(S(=O)(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)c([N+](=O)[O-])c1 608928122 VJEQRFSIHFJPDA-UHFFFAOYSA-N 434.282 4.321 5 20 IIBD COc1cccc(CC(=O)N2CCc3ccc(NC(=O)c4cc(C)cc([N+](=O)[O-])c4)cc32)c1 608944997 NRERXNSLWHXBTM-UHFFFAOYSA-N 445.475 4.296 5 20 IIBD CN(Cc1cccs1)C(=O)c1ccc(C(=O)N(C)Cc2cccs2)c([N+](=O)[O-])c1 609043624 CTTSGIPUVUYARA-UHFFFAOYSA-N 429.523 4.262 5 20 IIBD CCOc1ccc(CN(CCCn2ccnc2)C(=O)c2ccc([N+](=O)[O-])cc2F)cc1 609179460 VLWSPVGEMBNCHS-UHFFFAOYSA-N 426.448 4.062 5 20 IIBD COc1ccc2oc([C@H](C)NC(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)c(C)c2c1 609294650 VZKVHVACTVEYSC-INIZCTEOSA-N 438.484 4.251 5 20 IIBD CCOC(=O)c1sc(N(C)C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)nc1C 609482760 ZEUFMIBIIZVODQ-UHFFFAOYSA-N 446.529 4.049 5 20 IIBD CC(C)N1CCC(N(C)C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CC1 609854278 QYHIATUQMHRQKF-UHFFFAOYSA-N 440.331 4.032 5 20 IIBD Cc1c(Cl)cccc1OCC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 609854443 LGUKROXCKBXBCX-QGZVFWFLSA-N 434.876 4.135 5 20 IIBD O=C(C1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1)N(Cc1ccccc1)C1CC1 610162037 FARCHMOKOBZHNU-UHFFFAOYSA-N 437.540 4.267 5 20 IIBD CC(C)(C)OC(=O)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c1 610307115 XXFWMWIKBAUQFH-UHFFFAOYSA-N 435.274 4.494 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 725812346 CHWLDRCFSLRHJC-WMLDXEAASA-N 431.493 4.037 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1nc2c(s1)C[C@H](c1ccccc1)CC2 727249566 BKNBBYZQEYIXSM-CYBMUJFWSA-N 433.486 4.264 5 20 IIBD COc1cc(C(=O)Nc2ccc(NC(=O)CN3CCCCCCC3)cc2)ccc1[N+](=O)[O-] 727324870 RPQSBGWBNFUXDT-UHFFFAOYSA-N 440.500 4.060 5 20 IIBD COc1ccc(-c2ccc(C(=O)OCC(=O)Nc3ccccc3[N+](=O)[O-])c(F)c2)c(F)c1 730634395 URDXTEJXSREFRD-UHFFFAOYSA-N 442.374 4.344 5 20 IIBD O=C1OC(c2c(Cl)cccc2[N+](=O)[O-])=N/C1=C\c1cccc(NC(=O)C(F)(F)F)c1 730958576 WYMIBNSZBOOKNI-WQLSENKSSA-N 439.733 4.094 5 20 IIBD COc1cc(Cl)c(C(=O)COC(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc1OC 731501412 CWWJKEFZHOADOH-UHFFFAOYSA-N 425.846 4.027 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)CC[C@H]2CCCCO2)c2ccccc2)c([N+](=O)[O-])c1 732379281 DFJWDUGBHDXWCH-GCJKJVERSA-N 426.469 4.476 5 20 IIBD Cc1c(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)nnn1-c1cccc([N+](=O)[O-])c1 733513315 JAGXIXXGAFIWPE-UHFFFAOYSA-N 442.431 4.191 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(N[C@H](c2ccccc2)C2CCOCC2)c([N+](=O)[O-])c1 734484652 CZSMRGIQVBCCGJ-JOCHJYFZSA-N 447.557 4.205 5 20 IIBD Nn1c(SCc2ccc(Cl)cc2[N+](=O)[O-])nnc1-c1ccccc1Br 734751258 LKNXRSAFWPDVPR-UHFFFAOYSA-N 440.710 4.275 5 20 IIBD C[C@H](OC(=O)[C@@H]1CCCN(Cc2ccccc2)C1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 735939684 ROWAHQBKXYXTJC-QFBILLFUSA-N 436.468 4.161 5 20 IIBD C[C@@H](OC(=O)Cc1csc(-c2ccoc2)n1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 738852594 LKKJRVIEEVSZKN-LLVKDONJSA-N 426.410 4.208 5 20 IIBD Cc1ccc([C@H](NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2Br)C2CC2)cc1 740422835 MQYIDGPDSFNGJN-IBGZPJMESA-N 447.285 4.090 5 20 IIBD CC[C@@H](OC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1cccc(OC)c1 741133946 PGZVYHHBKMPHDK-QGZVFWFLSA-N 428.470 4.191 5 20 IIBD Cc1cc(=O)c(C(=O)O[C@H](C)c2ncc(-c3ccccc3)o2)nn1-c1ccccc1[N+](=O)[O-] 744509363 KNBSEDKEBCSQFQ-OAHLLOKOSA-N 446.419 4.022 5 20 IIBD C[C@@H](OC(=O)[C@H]1CCCCN1Cc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 745103908 IPJHVVKMLSXIML-FOIQADDNSA-N 445.903 4.173 5 20 IIBD C[C@H](OC(=O)c1ccccc1NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 748336348 USWPUDMEGMDUDS-LBPRGKRZSA-N 447.419 4.265 5 20 IIBD Cc1cccc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])c(Br)cc2F)c1C 751692197 MVRXTSUBWYBCAS-NSHDSACASA-N 439.237 4.297 5 20 IIBD O=C(CN(Cc1ccccc1)C[C@@H](O)c1ccco1)Nc1ccc(Cl)c([N+](=O)[O-])c1 752345296 IQRXUDRXCCIDAY-LJQANCHMSA-N 429.860 4.016 5 20 IIBD COc1cc(C(=O)N(Cc2ccccc2)C[C@]2(O)CCc3ccccc32)ccc1[N+](=O)[O-] 752463780 YXJSWEGUPABQPB-RUZDIDTESA-N 432.476 4.080 5 20 IIBD C[C@@H]1C[C@@H]1C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 753766752 WLHFARGFHFPIQE-HYSWKAIVSA-N 433.258 4.236 5 20 IIBD O=C(NCc1cccc(Br)c1)c1cc(F)cc([N+](=O)[O-])c1Br 754965719 BOYQUNMYYSLNNN-UHFFFAOYSA-N 432.043 4.189 5 20 IIBD O=C(Nc1ccc(N2CCSCC2)cc1)c1cc(F)cc([N+](=O)[O-])c1Br 754978083 RIDKRJXGYVFMNZ-UHFFFAOYSA-N 440.294 4.302 5 20 IIBD O=C(COC(=O)CCCc1csc2ccccc12)Nc1cc2c(cc1[N+](=O)[O-])OCO2 756652654 JRWDZOIDEPNGIH-UHFFFAOYSA-N 442.449 4.043 5 20 IIBD O=C(NCC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1cc([N+](=O)[O-])ccc1OC(F)F 760709639 ZZEORFFCCIZNIK-CQSZACIVSA-N 435.210 4.357 5 20 IIBD COc1ccsc1[C@@H]1NC(=O)N(CC2CC2)C(C)=C1C(=O)Nc1cccc([N+](=O)[O-])c1 764987920 IUWBMNUPWBMYEG-GOSISDBHSA-N 442.497 4.054 5 20 IIBD CC(=O)c1cccc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 767436018 WVXMQBIZIZPXOT-CYBMUJFWSA-N 439.449 4.105 5 20 IIBD O=C(N[C@@H](CO)C1CC1)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 771013087 OZWAEOAGUSJIIS-AWEZNQCLSA-N 426.416 4.266 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)cc1Cl 777908748 KOEZDWQBQDBIAY-NSHDSACASA-N 448.280 4.085 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C 777926995 JPLDUEIUGGPYBI-CYBMUJFWSA-N 449.504 4.024 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)c1cc([N+](=O)[O-])c2nsnc2c1 778255014 QJCFKMZSOOGYIW-UHFFFAOYSA-N 441.444 4.098 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 780544453 FQFSOGUYFBRXSJ-INIZCTEOSA-N 435.524 4.058 5 20 IIBD CC1(NC(=O)OC(C)(C)C)CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 780636472 CWYDEKDNDMMWMY-UHFFFAOYSA-N 448.398 4.405 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccccc1NC(=O)c1ccccc1 781625012 UHURIJCLYXYDKZ-UHFFFAOYSA-N 434.408 4.327 5 20 IIBD CCn1c(SCCS(=O)(=O)c2ccc(F)cc2)nc2cc3ccccc3cc2c1=O 790310529 FEXHOJJYFWFZPY-UHFFFAOYSA-N 442.537 4.275 5 20 IIBD Cc1ccc(Cl)c(S(=O)(=O)NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1Cl 793353540 QHYRYGGCNAOHPW-SNVBAGLBSA-N 449.337 4.196 5 20 IIBD O=c1oc(-c2ccccc2[N+](=O)[O-])nn1CN(Cc1ccccc1C(F)(F)F)C1CC1 794621039 PZGXVGHKWARIQR-UHFFFAOYSA-N 434.374 4.052 5 20 IIBD Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cc1NC(=O)C(C)(C)C 795315691 HLPOGVPNCMBJBE-UHFFFAOYSA-N 443.884 4.481 5 20 IIBD Cc1cc(F)cc(Br)c1OC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 797353687 HJCMAFQEUBUTDE-UHFFFAOYSA-N 427.182 4.251 5 20 IIBD C[C@H](OC(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1)C(=O)Nc1cccc([N+](=O)[O-])c1 797510806 SBXAYKNECXSVCG-NSHDSACASA-N 449.250 4.271 5 20 IIBD COc1cc(/C=C(/C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)c2ccccc2)ccc1O 802904837 JGDIAKZGVHCRHN-GZTJUZNOSA-N 430.420 4.365 5 20 IIBD COc1cc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c(C)c1C 808116210 LBCMOCKOIZTBOW-UHFFFAOYSA-N 429.292 4.092 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N(C)[C@@]2(c3ccccc3)CCCCC2=O)cc1[N+](=O)[O-] 810078240 JUKOZUMGFZRJHJ-HXUWFJFHSA-N 436.917 4.216 5 20 IIBD COc1cc(-c2nc(CCC(C)(C)[N+](=O)[O-])no2)cc(OC)c1OCc1ccccc1 812814605 LZPKWSUTUDWOAN-UHFFFAOYSA-N 427.457 4.321 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 813291740 BTCQCBKYNQWYLB-UHFFFAOYSA-N 430.511 4.038 5 20 IIBD Cc1ccc(C(=O)N2CCC[C@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1[N+](=O)[O-] 814432140 OYFVJJVRVYQNNE-OALUTQOASA-N 431.533 4.403 5 20 IIBD CC(C)S(=O)(=O)c1ccc(F)c(C(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)c1 815208938 GYLNBASBVZTEIJ-UHFFFAOYSA-N 449.378 4.292 5 20 IIBD CC1=C(C(=O)N2CCCCCC2)[C@@H](c2cc([N+](=O)[O-])c(F)cc2F)NC(=O)N1CC1CC1 916726830 ZMMJMJZDAXPFAO-HXUWFJFHSA-N 448.470 4.026 5 20 IIBD O=C(COC(=O)c1csc([N+](=O)[O-])c1)N[C@@H](c1ccccc1)c1cccc(Cl)c1 919371878 PFMSDGCXPZKNQX-IBGZPJMESA-N 430.869 4.372 5 20 IIBD COc1ccc(-c2nc(=S)n(CN(C)Cc3cc([N+](=O)[O-])ccc3Cl)[nH]2)c(OC)c1 921046214 QGIVEYNYFHBXPJ-UHFFFAOYSA-N 449.920 4.276 5 20 IIBD O=c1c2ccccc2c(-c2ccc(F)cc2)nn1CN1CCc2ccc([N+](=O)[O-])cc2C1 1116244335 LRVJAAZBAAWDHH-UHFFFAOYSA-N 430.439 4.127 5 20 IIBD Nc1c(C(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)cc(Br)cc1[N+](=O)[O-] 1256685802 OGIOMBUYCLJJBX-CQSZACIVSA-N 445.273 4.448 5 20 IIBD CNS(=O)(=O)c1cccc([C@@H](C)NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c1 1318372119 MSHZJHKRSJDIDL-CYBMUJFWSA-N 449.916 4.267 5 20 IIBD COc1ccc(C(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)c2ccc(OC)cc2)cc1 1325503409 IHCOGRZKNPRTNG-UHFFFAOYSA-N 428.391 4.410 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N2CC[C@](CO)(C(C)C)C2)cc1[N+](=O)[O-] 1326100003 PMTJGYUMJBSFTJ-QHCPKHFHSA-N 442.537 4.028 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(-c2nnc(CN3CCN(Cc4ccc(Cl)cc4)CC3)o2)c1 1326334342 PRWSDQZXVZGSLV-UHFFFAOYSA-N 448.310 4.269 5 20 IIBD Cc1cccc2c1CCN(c1nnc(-c3cccc([N+](=O)[O-])c3)n1C[C@@H]1CCCCO1)C2 1330071675 VXFUVQFSVZJPNM-NRFANRHFSA-N 433.512 4.294 5 20 IIBD Cc1ccc([C@H](C)C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(F)c2[N+](=O)[O-])C3)cc1 1801778297 OTPQQGLHOKEICX-KANFNMMFSA-N 439.487 4.098 5 20 IIBD CC/C=C(\C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1824278197 AAACFHMOJJLORJ-AVKUUUQRSA-N 429.517 4.177 5 20 IIBD O=C(/C=C/C1CCCCC1)N1CC2(CCCN2C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])C1 1841330897 XDLGYEFLFHPGPT-JXMROGBWSA-N 445.947 4.131 5 20 IIBD Cc1ccc(NC(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c(C)c1 3607777 SIXINIWBOBCVKQ-UHFFFAOYSA-N 426.450 4.232 5 20 IIBD CSc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)cc1[N+](=O)[O-] 9621284 HFTYNLNZVSBJHE-QMMMGPOBSA-N 430.269 4.203 5 20 IIBD O=C(NCCc1cccc(F)c1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 9920361 KJLHNHXBIFNOID-UHFFFAOYSA-N 439.409 4.328 5 20 IIBD Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 10862818 BGRDDFMBGXYMSK-UHFFFAOYSA-N 432.432 4.238 5 20 IIBD CCCOc1c(Cl)cc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC 12252719 ARKKYQOENXFXJY-LBPRGKRZSA-N 436.848 4.230 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(Br)cc2F)c([N+](=O)[O-])c1 15165675 OKBWRQUSGWKOMB-UHFFFAOYSA-N 447.282 4.319 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 15409915 OTRMFQBQCSQJCU-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2c(C)cc(C)cc2Cl)cc1OC 19159741 ISIREKBPDLRAAQ-UHFFFAOYSA-N 436.848 4.068 5 20 IIBD Cc1c(NC(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2C(C)C)cccc1[N+](=O)[O-] 23539689 ZMQYPRUXVGGDLN-CQSZACIVSA-N 426.498 4.313 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(OC)c1 25374906 RBFWUPSKBHKEDL-NSHDSACASA-N 430.438 4.011 5 20 IIBD O=C(COC(=O)Cc1csc(-c2ccccc2Cl)n1)Nc1ccccc1[N+](=O)[O-] 26674321 HMQVBBYZGCUDMH-UHFFFAOYSA-N 431.857 4.096 5 20 IIBD O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 31265755 PKWYOGQYQMISEE-UHFFFAOYSA-N 434.408 4.262 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1cccc(NC(=O)c2cccc(F)c2)c1 59800250 DLQUFHUJIJDPDD-UHFFFAOYSA-N 439.468 4.395 5 20 IIBD Cn1ccnc1[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(F)c1 64898121 PZSIIRNHBVPLJD-SFHVURJKSA-N 437.456 4.110 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Br)cc1Br 68960708 DKEAATQFVNHUSE-UHFFFAOYSA-N 443.095 4.438 5 20 IIBD C[C@@H](NC(=O)c1cccn1C1CCN(C(=O)OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 111207442 NNUICQPTIPCKEJ-MRXNPFEDSA-N 442.516 4.459 5 20 IIBD COc1cc(C(=O)Nc2ccc(Oc3ncccn3)cc2C)c([N+](=O)[O-])cc1OC(F)F 115950008 MXSKHDMMWMWAMF-UHFFFAOYSA-N 446.366 4.348 5 20 IIBD Cn1cc(CNCc2ccc(NC(=O)c3ccco3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 237776965 MSYBSNDHFUTFEA-UHFFFAOYSA-N 431.452 4.130 5 20 IIBD CCc1cc(N2CCC(NC(=O)Nc3ccccc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 301080330 IFVBJLAEHIVMBL-UHFFFAOYSA-N 446.511 4.405 5 20 IIBD CC1CCN([C@@H](CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c2cccs2)CC1 301908133 AGRCZGBAOOKAPZ-AWEZNQCLSA-N 429.589 4.006 5 20 IIBD O=[N+]([O-])c1cc2c(O)ncnc2cc1N1CCc2c(Br)ccc(Cl)c2C1 302196273 OQGZZEGWKJZDID-UHFFFAOYSA-N 435.665 4.222 5 20 IIBD CS(=O)(=O)c1cccc(NCc2nc3c(s2)C[C@H](c2ccccc2)CC3)c1[N+](=O)[O-] 302215957 OWXRMWFGNBTTOS-OAHLLOKOSA-N 443.550 4.339 5 20 IIBD COc1cc(NC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c(F)cc1[N+](=O)[O-] 302442611 RNTMXPSMAJWNEZ-UHFFFAOYSA-N 441.381 4.478 5 20 IIBD Cc1cc(N2CCC[C@@H](c3nnc4n3CCCCC4)C2)c(Br)cc1[N+](=O)[O-] 302684322 QCCZUNCKDMTNST-CQSZACIVSA-N 434.338 4.368 5 20 IIBD CC(=O)NCCN(Cc1ccc(Br)s1)c1ccc([N+](=O)[O-])c2cnccc12 409522645 QKMSTBBZXCZCAW-UHFFFAOYSA-N 449.330 4.110 5 20 IIBD COc1cccc([C@H](CC(=O)O)NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1OC 426811704 NPZZLNSIYRNTHX-KRWDZBQOSA-N 443.481 4.041 5 20 IIBD CS(=O)(=O)c1ccc(N[C@@H](COc2ccccc2F)c2ccccc2)c([N+](=O)[O-])c1 426891121 NTDDSPYTYWPKAT-IBGZPJMESA-N 430.457 4.370 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3ccccc3CC(=O)O)cc2[N+](=O)[O-])n1 427978973 MXODHYRTCBCLQQ-UHFFFAOYSA-N 429.479 4.390 5 20 IIBD CC(C)(NCC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)c1ccccc1[N+](=O)[O-] 429266035 VRQVXOJMWCSMNY-UHFFFAOYSA-N 428.489 4.245 5 20 IIBD CC(C)(C(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1ccc([N+](=O)[O-])cc1F 430465105 OWSBYNGSQIDJBK-NFBKMPQASA-N 432.467 4.041 5 20 IIBD Cc1c(NC(=O)[C@H](NC(=O)c2ccccc2)C(C)C)cc(Br)cc1[N+](=O)[O-] 431232574 QAMNLYBJOMMEBS-QGZVFWFLSA-N 434.290 4.059 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N(CCc1ccccn1)Cc1cccnc1 431318986 NELVTSCDKBGCKX-UHFFFAOYSA-N 442.928 4.402 5 20 IIBD Cc1nn(Cc2ccc(Cl)cc2)c(C)c1Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O 432354636 ZDEWQIVHYWGCAS-UHFFFAOYSA-N 449.898 4.382 5 20 IIBD COc1cc(CN(C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])ccc1OCc1ccccc1 433694310 NABCSPSMMIAFRS-UHFFFAOYSA-N 438.484 4.301 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NCc1cccnn1 436222789 MCGBRPZUXIJHDL-FOWTUZBSSA-N 431.477 4.242 5 20 IIBD COCCN(C(=O)c1cc(F)c(F)cc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 437362729 FMADTNXGRILIHI-UHFFFAOYSA-N 437.399 4.429 5 20 IIBD C[C@H]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)[C@@H]1c1ccc(C(F)(F)F)cc1 438184690 XZAIMMGOBSONFM-DJJJIMSYSA-N 445.401 4.418 5 20 IIBD CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 440545451 VAVKYNKSLVAPAO-AZUAARDMSA-N 427.570 4.446 5 20 IIBD COC[C@H](NC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)C1CC1 441513643 IZGNCVIEYKLDGR-KRWDZBQOSA-N 437.855 4.404 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 441541673 FCPXHIDMNWPGLH-AWEZNQCLSA-N 441.296 4.304 5 20 IIBD CCCNC(=O)[C@@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 442007417 DBPYSPQMXZCCQG-MRXNPFEDSA-N 427.526 4.124 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c(Cl)c1 443729880 GDQNVNZMTKISLK-NSHDSACASA-N 439.852 4.097 5 20 IIBD C[C@H](CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(C(F)(F)F)cc1 443842657 MRFZGJGAAJDQOQ-SNVBAGLBSA-N 429.782 4.125 5 20 IIBD C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 444209582 CJXDEKMXKXWZED-ZBEGNZNMSA-N 431.297 4.052 5 20 IIBD COc1ccc(NC(=O)Cc2noc(-c3cc4cc([N+](=O)[O-])ccc4o3)n2)cc1Cl 445384992 NJBXIFYBYSSCFF-UHFFFAOYSA-N 428.788 4.234 5 20 IIBD O=C(Cc1noc(-c2cc(Oc3ccccc3)ccc2O)n1)NCc1ccc([N+](=O)[O-])cc1 445720815 FUNIAYOCDMKJQB-UHFFFAOYSA-N 446.419 4.002 5 20 IIBD CSCCc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 446991763 ZQAWLLURKGAMNJ-UHFFFAOYSA-N 431.333 4.064 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCSC[C@H]2c2ccccc2)c(C(F)(F)F)c1 447040533 SNIOHXPAGYAASM-HNNXBMFYSA-N 432.445 4.092 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCN(c2ncccc2Cl)CC1 447681674 QLBQOQOOCDLBGA-UHFFFAOYSA-N 437.756 4.019 5 20 IIBD O=C(c1cc(C(=O)N2CCC[C@H]2C2CCC2)cc([N+](=O)[O-])c1)N1CCC[C@H]1C1CCC1 461654454 CMFLADBGORBYCC-VXKWHMMOSA-N 425.529 4.404 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN(c2ccccc2F)C1 462359845 SLKHFDGVCIKCSF-CYBMUJFWSA-N 436.281 4.061 5 20 IIBD CCc1oc2ccccc2c1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 463678549 KZLXZVPLFJONQQ-UHFFFAOYSA-N 425.466 4.272 5 20 IIBD COc1ccc2c(c1)CCC[C@H]2CNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 463937645 OAKVATAIUAHNKX-NRFANRHFSA-N 448.523 4.315 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1C[C@H](n2cccn2)Cc2ccccc21 464432915 YFNLQEIVOFXWJX-GOSISDBHSA-N 431.477 4.359 5 20 IIBD C[C@H](Oc1ccccc1Br)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464657397 BKECUBOAYCQDHP-AWEZNQCLSA-N 449.301 4.195 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)c1sc(N2CCOCC2)nc1-c1ccccc1 464721450 XJMYCJGAOWHWOC-UHFFFAOYSA-N 438.509 4.370 5 20 IIBD COc1ccccc1-c1noc([C@H](C)NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)n1 465982488 QDPRYLZYZJSFIV-HNNXBMFYSA-N 439.472 4.037 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C 466505950 TUKPFQOXESHCSL-XBESXDPPSA-N 443.544 4.289 5 20 IIBD COc1cc(OCC(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)ccc1[N+](=O)[O-] 466899045 GAPDZZAYZRGOAN-UHFFFAOYSA-N 433.420 4.353 5 20 IIBD COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)Cn2cc([N+](=O)[O-])c(C3CC3)n2)cc1 468102499 FOOKEGZXMIPDNO-OAQYLSRUSA-N 445.479 4.055 5 20 IIBD COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 470778435 GLFJBLOPAXLNTF-QGZVFWFLSA-N 438.383 4.213 5 20 IIBD CCC(=O)c1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 471104589 OGZRSMIXAITNBI-UHFFFAOYSA-N 435.402 4.169 5 20 IIBD NC(=O)C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1 472181661 JCCQHPBPBJHEAP-CYBMUJFWSA-N 433.917 4.127 5 20 IIBD CCOc1cc(NC(=O)N[C@H](C)c2noc(-c3ccccc3)n2)c([N+](=O)[O-])cc1OCC 473767277 ZFMAVKOAQSRLPM-CYBMUJFWSA-N 441.444 4.325 5 20 IIBD O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 475483876 BNKVOXXIMGDVOM-UHFFFAOYSA-N 438.831 4.260 5 20 IIBD CC(=O)Nc1sc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)nc1-c1ccccc1 479367981 UAFDNFZEUYUJFW-UHFFFAOYSA-N 435.465 4.270 5 20 IIBD COc1cc(C(=O)N[C@H]2CCN3CCCC[C@H]23)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 481308629 LPDIMRFLFQJXSC-DLBZAZTESA-N 445.903 4.406 5 20 IIBD Cn1nc([N+](=O)[O-])cc1C(=O)Nc1nc2cc(Cl)ccc2n1CCCc1ccccc1 481887787 NAEJWYZIHBDKHD-UHFFFAOYSA-N 438.875 4.217 5 20 IIBD CCc1c(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cnn1C(CC)CC 482691884 LHMSLENFFGFMIR-OAQYLSRUSA-N 441.532 4.267 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)NCc2csc3ccccc23)cc1[N+](=O)[O-] 483588239 VACGCLBSAVLDEH-UHFFFAOYSA-N 425.495 4.019 5 20 IIBD COc1cc(OC)c2cc(CCCNC(=O)c3cccc(SC)c3[N+](=O)[O-])[nH]c2c1 486417957 ROFBGONQCMECIH-UHFFFAOYSA-N 429.498 4.178 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(F)cc2Br)cc1[N+](=O)[O-] 488097405 UICQRRRRZJZQLF-NEPJUHHUSA-N 425.254 4.450 5 20 IIBD COc1ccc(CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c2ccncc2)cc1 489979914 IOWYTPNZAOKUPN-UHFFFAOYSA-N 429.436 4.031 5 20 IIBD COc1cc(CN(C)[C@H](C)c2ccc([S@](C)=O)cc2)c([N+](=O)[O-])cc1OCC(F)F 490428296 CUDLATRDLBGMPQ-OSXTUODASA-N 442.484 4.178 5 20 IIBD O=C(N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F)N1CCN(c2ccccc2[N+](=O)[O-])CC1 490800811 VCHHZGYXPMPWRT-IBGZPJMESA-N 447.417 4.211 5 20 IIBD CC[C@@H]1Oc2cc([C@@H](C)NC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)ccc2NC1=O 494465654 CCBMTYOOEZCRFO-VLIAUNLRSA-N 438.484 4.140 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCOC[C@H]1c1nc2ccccc2s1 500647748 AZTZLOWGYYGVEP-INIZCTEOSA-N 447.900 4.227 5 20 IIBD COc1cc(C(=O)N[C@H]2CCOc3c(Cl)cccc32)c([N+](=O)[O-])cc1OC(F)F 501605887 KMBPVTAKYMMPHD-LBPRGKRZSA-N 428.775 4.112 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 501715732 QOQNJWDAHKFRRX-UHFFFAOYSA-N 439.468 4.395 5 20 IIBD O=C(Nc1cccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)c1)[C@@H]1Cc2ccccc2O1 504978891 AHKGSSHUUKNCIK-FQEVSTJZSA-N 428.404 4.254 5 20 IIBD COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 506099497 MNFWIXSLGDORGR-AWEZNQCLSA-N 449.467 4.382 5 20 IIBD CCCCN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@H]1CCS(=O)(=O)C1 506765724 DKTVITKYMHAWGY-HNNXBMFYSA-N 426.922 4.297 5 20 IIBD COc1cccc(C(=O)NCC2(c3ccc(Br)cc3Cl)CC2)c1[N+](=O)[O-] 507130538 VSPMBLRQQIGVNL-UHFFFAOYSA-N 439.693 4.481 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(Sc3ncccn3)cc2C)cc1C 509535608 FYISHYHEZIZMIM-UHFFFAOYSA-N 430.511 4.262 5 20 IIBD Cc1c(Br)cc(C(=O)N[C@H](C)c2nc(-c3cccc(F)c3)no2)cc1[N+](=O)[O-] 510059049 XDMXXJABJXYVMN-SNVBAGLBSA-N 449.236 4.346 5 20 IIBD Cc1c(NC(=O)N(CCN(C)C)Cc2ccc(Br)cc2)cccc1[N+](=O)[O-] 510324426 DKRVNVODIOXTLW-UHFFFAOYSA-N 435.322 4.261 5 20 IIBD CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br 511785276 NEGXIWGHDUHYPA-LJQANCHMSA-N 446.345 4.388 5 20 IIBD COc1ccc(CCNc2nnc(Sc3ccc([N+](=O)[O-])cc3F)s2)cc1OC 513091566 ZRVWINUBRSNMBS-UHFFFAOYSA-N 436.490 4.408 5 20 IIBD CC(=O)c1cc(Br)ccc1OCC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 513448115 RGPGXHVSWGHTAJ-UHFFFAOYSA-N 449.301 4.078 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(CCCOc2cccc3ccccc23)CC1 515779759 BNXBDIYDZNIESS-UHFFFAOYSA-N 425.510 4.036 5 20 IIBD O=C(N1CCCc2c1cccc2[N+](=O)[O-])C1(S(=O)(=O)c2ccccc2)CCCCC1 516919245 FHWBDTIADQVBHG-UHFFFAOYSA-N 428.510 4.051 5 20 IIBD COc1cc(CS(=O)(=O)Cc2c(F)cccc2Cl)c([N+](=O)[O-])cc1OC(F)F 517189300 OAJKBPZDMJDJIN-UHFFFAOYSA-N 439.795 4.112 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 518142967 XDMRMCXCCGKCQP-UHFFFAOYSA-N 446.488 4.469 5 20 IIBD O=C(NCC1CCC(c2ccccc2)CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 518155459 RUTZWGGBNZCJEQ-UHFFFAOYSA-N 447.438 4.225 5 20 IIBD Cc1cc(NC(=O)CCc2cccc(Br)c2)n(-c2ccc([N+](=O)[O-])cc2)n1 518228175 PCJVLVMNGZZAAV-UHFFFAOYSA-N 429.274 4.423 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1ccc(-c2nc3ccccc3s2)o1 519891679 NCFGUBPHRLFQCY-UHFFFAOYSA-N 433.442 4.082 5 20 IIBD CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCc1ncc(-c2cccs2)o1 520225007 OFKJFQBGFRKBSA-UHFFFAOYSA-N 440.437 4.253 5 20 IIBD CC[C@@H](C)NC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c(C)c1 520592563 ZHAUCDZUZUGYNU-KGLIPLIRSA-N 433.892 4.491 5 20 IIBD COc1ccc(-c2ccc(CNc3ccc(N4CCCS4(=O)=O)cc3)o2)c([N+](=O)[O-])c1 522283012 OTNLJIORQNQUSG-UHFFFAOYSA-N 443.481 4.015 5 20 IIBD COc1cc(C(=O)N2C[C@@H](c3ccccc3Cl)OCC2(C)C)cc([N+](=O)[O-])c1OC 525567143 XPYSTSPDNLOHRG-SFHVURJKSA-N 434.876 4.258 5 20 IIBD C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 525608318 ROYWEBBMAHOOQG-YWZLYKJASA-N 430.936 4.273 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNc3cccc(-n4cnnn4)c3)o2)c(Br)c1 533269221 GIDXNQHCJGNJMD-UHFFFAOYSA-N 441.245 4.205 5 20 IIBD Cn1cc(C(=O)Nc2cc(-c3ccc(Cl)s3)[nH]n2)c(-c2ccc([N+](=O)[O-])cc2)n1 534553017 VRGFDRYMTVIPSN-UHFFFAOYSA-N 428.861 4.353 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(OCC(F)(F)F)nc1 537094488 HYXZRGKTUPJLIT-UHFFFAOYSA-N 429.420 4.361 5 20 IIBD CCOc1ccc(CCC2CCN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)cc1 537640673 FUSNCOPGVXIMDU-UHFFFAOYSA-N 438.571 4.308 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)NCc2cc(Cl)sc2Cl)cc1[N+](=O)[O-] 537798657 JHDPKIWANLGVPP-UHFFFAOYSA-N 444.325 4.173 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCC2([C@H](C)CCO)CCC2)cc1[N+](=O)[O-])c1ccccn1 538360902 TVPYUIKGFOTLJC-SJORKVTESA-N 426.517 4.082 5 20 IIBD CC[C@H](NCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1OCC(=O)N1CCCC1 539252373 KKDQDKHTXKQXHD-IBGZPJMESA-N 431.920 4.490 5 20 IIBD COc1cc(CNc2nnc([C@H]3CCCO3)o2)c([N+](=O)[O-])cc1OCc1ccccc1 539693546 GLEHHMANUXNJMU-QGZVFWFLSA-N 426.429 4.029 5 20 IIBD Cc1ccc(-c2noc([C@@H]3CC(=O)N(Cc4cccc(C(F)(F)F)c4)C3)n2)cc1[N+](=O)[O-] 544951775 RZKXDJBZKNJDJZ-OAHLLOKOSA-N 446.385 4.488 5 20 IIBD CN(C)c1nc2cc(-c3noc(-c4ccc([N+](=O)[O-])cc4Br)n3)ccc2o1 545118102 BHUAIQOZYSXCIM-UHFFFAOYSA-N 430.218 4.282 5 20 IIBD Cn1c(SCc2coc(-c3ccc(Cl)cc3)n2)nc2cc([N+](=O)[O-])ccc2c1=O 545133525 WWPPQAWTTNJIDU-UHFFFAOYSA-N 428.857 4.442 5 20 IIBD COc1cc(-c2nc(Cc3ccc(Br)cc3C)no2)cc([N+](=O)[O-])c1OC 545760889 FBXXQBZCENDUGT-UHFFFAOYSA-N 434.246 4.324 5 20 IIBD Cc1ccc(-c2noc(-c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)n2)c(OC2CCCC2)c1 546464565 VVJNNLQHPFRLAD-UHFFFAOYSA-N 443.481 4.345 5 20 IIBD O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1ccc([N+](=O)[O-])o1 548643912 YMDHIVFOIBDQRQ-UHFFFAOYSA-N 428.241 4.322 5 20 IIBD CCn1c(Cn2ccc3ccccc32)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 549346362 CXMOWJDVHXHBNK-UHFFFAOYSA-N 446.511 4.257 5 20 IIBD Cc1noc([C@@H]2CCCCN2C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)n1 553729975 ZDXGBWIECRLMAU-DOXZYTNZSA-N 427.505 4.136 5 20 IIBD O=C(NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 555109627 WCJYIQTVCMZDDF-UHFFFAOYSA-N 445.357 4.161 5 20 IIBD CC1CCN(c2ccc(C(=O)N(C)Cc3nc(-c4cccs4)no3)cc2[N+](=O)[O-])CC1 557059793 VFJVCXFIKADURK-UHFFFAOYSA-N 441.513 4.215 5 20 IIBD C[C@@H](NC(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1)c1cccc([N+](=O)[O-])c1 559107313 JAVHTTIOYWSMHC-CYBMUJFWSA-N 428.876 4.483 5 20 IIBD CC(=O)c1cc(N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)ccc1[N+](=O)[O-] 561153464 GMLAAGCSCJZDLA-UHFFFAOYSA-N 446.301 4.415 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC(c2noc3cc(F)ccc23)CC1 564004713 LEMIVNXMPQPCOV-UHFFFAOYSA-N 433.461 4.060 5 20 IIBD CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 566986807 MECQBIKNASVKQL-FQEVSTJZSA-N 425.464 4.226 5 20 IIBD O=C(c1ccccc1C(F)(F)F)N1CCN(c2ccnc3c([N+](=O)[O-])cccc23)CC1 570505950 LKGWTKYXOKQXRZ-UHFFFAOYSA-N 430.386 4.124 5 20 IIBD CC(C)c1cc(C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c(O)c(C(C)C)c1 574547411 JFHRFJKZNCIYAT-UHFFFAOYSA-N 439.512 4.145 5 20 IIBD O=C1NCCCN1c1cc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)ccc1F 575900974 WABHBHUVIDXTST-UHFFFAOYSA-N 427.461 4.389 5 20 IIBD CSc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)N(C)C)cc1 576353254 BNCKNQCSMXTDFO-NRFANRHFSA-N 428.558 4.268 5 20 IIBD O=C(NC1CCN(Cc2coc(-c3ccccc3)n2)CC1)c1cc(Cl)cc([N+](=O)[O-])c1 577983960 YEOXKWJLADLRIE-UHFFFAOYSA-N 440.887 4.298 5 20 IIBD COc1cc(CN2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)c([N+](=O)[O-])cc1OC 579291441 PXZHZGWSBZILEI-IBGZPJMESA-N 442.390 4.084 5 20 IIBD Cc1cc(C(C)(C)NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])ccc1Br 584321039 ZUMDAZGAQBTKSF-UHFFFAOYSA-N 427.320 4.020 5 20 IIBD CN(C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccc([N+](=O)[O-])nc1 584860717 KKULQDYEVNCCOW-UHFFFAOYSA-N 431.427 4.187 5 20 IIBD CC1(C)CN(CC2CN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc34)C2)c2cc(C3CC3)ccc21 595283267 YQYMHIAOJFGKHR-UHFFFAOYSA-N 445.523 4.218 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)cc1 603556295 HYGYHMDQDDFSTF-XWFFHEKESA-N 434.517 4.312 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CCc3cccs3)cc2)cc1[N+](=O)[O-] 603820486 CQCOQISFPMJQKZ-UHFFFAOYSA-N 445.522 4.337 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC[C@@H](OCC(F)(F)F)C3)cc2[N+](=O)[O-])C1 603981797 NGRQGXGGFINGFE-BFYDXBDKSA-N 443.466 4.261 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)cc1OC 603993377 UGQYMINIIDNXBB-OAHLLOKOSA-N 441.484 4.269 5 20 IIBD C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(NC(=O)Nc2ccccc2)cc1 604033714 VOIFLVFKOVRWMF-HNNXBMFYSA-N 440.481 4.278 5 20 IIBD C[C@H](Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 604045961 MYQQKLDZMJPNQN-HNNXBMFYSA-N 436.443 4.354 5 20 IIBD O=C(Nc1ccc(N2CCOCC2)cn1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 604076795 XQFBVUOFYNZKDF-UHFFFAOYSA-N 436.493 4.230 5 20 IIBD O=C(Nc1nnc(-c2ccccc2Cl)s1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 604344017 DKRDXKHDNADUFG-UHFFFAOYSA-N 426.845 4.205 5 20 IIBD O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 609151548 ZPUIAXWMZSRDHW-UHFFFAOYSA-N 444.476 4.338 5 20 IIBD CC(C)Oc1ccc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c(C(F)(F)F)c1 609189121 VWCRTNHSFRMROP-UHFFFAOYSA-N 439.390 4.159 5 20 IIBD C[C@H](c1cccc(Cl)c1)N(C)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 609418370 CIWNSSPJHFFFPR-SNVBAGLBSA-N 433.711 4.392 5 20 IIBD O=C(Nc1ccc(Cl)c2ncccc12)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 609498434 HOZHQBQAZAXZCQ-CQSZACIVSA-N 430.873 4.101 5 20 IIBD O=C(N[C@H](Cc1ccccc1)c1cccs1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 609751490 INNUXXZPVYBNNJ-LJQANCHMSA-N 436.537 4.472 5 20 IIBD Cc1nn(C)c(C)c1C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 609791952 USNVIORVUHUCMG-UHFFFAOYSA-N 432.839 4.460 5 20 IIBD COc1cc(CCc2cc(NC(=O)c3ccc(SC)c([N+](=O)[O-])c3)n[nH]2)cc(OC)c1 609827212 CTRQRQUDMKMUAY-UHFFFAOYSA-N 442.497 4.095 5 20 IIBD COc1cc(F)c([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1OC 610045447 KADHLSYZDHYCIX-VIFPVBQESA-N 427.226 4.005 5 20 IIBD CN(CC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccccc1[N+](=O)[O-] 610290413 SWACBDXCKZFAAF-QWRGUYRKSA-N 427.345 4.057 5 20 IIBD CCCOc1ccc(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c(OC(F)F)c1 611153907 QONSLSJMPSTJNK-UHFFFAOYSA-N 433.411 4.325 5 20 IIBD O=C(Nc1cccc(-c2nc(=O)o[nH]2)c1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611202901 QJAQBLSNLNCZNJ-UHFFFAOYSA-N 426.454 4.225 5 20 IIBD COc1cc(CN2CCCN(C(C)=O)c3ccccc32)c([N+](=O)[O-])cc1OCC(F)F 611549793 DVPLZBQFWCNUKT-UHFFFAOYSA-N 435.427 4.011 5 20 IIBD O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCCNc2ncc(C(F)(F)F)cc2Cl)n1 618571617 ZTUMAOGMVDZLMC-KBPBESRZSA-N 432.834 4.044 5 20 IIBD C[C@H](Sc1nnc(NCCc2cccs2)s1)C(=O)Nc1ccccc1[N+](=O)[O-] 619563903 AMMPZOCWBRHXRC-NSHDSACASA-N 435.556 4.282 5 20 IIBD COc1ccc(CNC(=O)c2ccc(Cl)cc2NC(=O)c2ccoc2C)cc1[N+](=O)[O-] 728188988 XSYUHEHWQROAMP-UHFFFAOYSA-N 443.843 4.341 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 728299873 IWUZUPBKQWFHTB-INIZCTEOSA-N 448.888 4.214 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1CSc1nnc(SCc2ccccc2)n1N 729152265 ASLMWSIYFRARIJ-UHFFFAOYSA-N 431.543 4.272 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)c1oc(COc2ccc(C=O)cc2)cc1C 730056480 YVSFAENJXPQFSM-UHFFFAOYSA-N 425.393 4.253 5 20 IIBD O=C(COC(=O)c1c(Cl)cccc1[N+](=O)[O-])N[C@@H](c1ccccc1)c1cccs1 730643003 KLNIZMKORQCSIQ-IBGZPJMESA-N 430.869 4.372 5 20 IIBD Cc1ccc(COc2cccc(NC(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)c2)cc1 732014491 GWZVQKZXNGRBBM-UHFFFAOYSA-N 440.477 4.138 5 20 IIBD O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 734129800 KPMBTBXOYSKUJZ-UHFFFAOYSA-N 426.778 4.401 5 20 IIBD Cc1c(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 737680699 WTQPDPNPNAHESE-HNAYVOBHSA-N 440.500 4.245 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c(Br)c1 738403341 KFIYZXVTQRZRLS-UHFFFAOYSA-N 426.166 4.144 5 20 IIBD Cc1ccc(NCCCNC(=O)C(=O)Nc2ccc(SC(C)(C)C)cc2)c([N+](=O)[O-])c1 740510294 OPKQYSJCGAPZLV-UHFFFAOYSA-N 444.557 4.351 5 20 IIBD CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1I)c1cc(F)ccc1F 740799123 KGZRIAFPMIIBIP-HNNXBMFYSA-N 446.191 4.359 5 20 IIBD COc1cc([C@@H]2NC(=O)c3c(Cl)cccc3N2)c([N+](=O)[O-])cc1OCC(F)(F)F 742444390 HPEQNDUGFBQOFH-HNNXBMFYSA-N 431.754 4.052 5 20 IIBD CCN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)[C@H](Cc1ccc(F)cc1)C(C)C 744378689 LXCSDIDCEJUOBE-HSZRJFAPSA-N 443.519 4.300 5 20 IIBD O=C(Nc1ccc(-n2nccn2)cc1C(F)(F)F)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 746825186 BUPKPUBYSWENHI-UHFFFAOYSA-N 445.279 4.465 5 20 IIBD Cc1nn(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ncc([N+](=O)[O-])cc12 748451315 ZYPUQMRVDGQYOE-UHFFFAOYSA-N 442.523 4.013 5 20 IIBD CCOC(=O)N1[C@H](C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC[C@@H]1c1ccc(C)o1 752417295 WDEKWKSXRPNQBV-JQHSSLGASA-N 429.473 4.344 5 20 IIBD CSc1cccc(NC(=O)COC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1 753429585 ANIJGOLXACDBCW-UHFFFAOYSA-N 439.287 4.183 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N(Cc1ccncc1)Cc1cccnc1 754969891 ZYMHLEVZNGGSRB-UHFFFAOYSA-N 445.248 4.129 5 20 IIBD O=C(Nc1ccc(Cl)c(Br)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 755605764 QWQPONULKJEDGP-UHFFFAOYSA-N 440.681 4.100 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N(Cc1ccccc1)C[C@H](O)c1ccsc1 757090581 MAEMCCLJUNPHJM-QFIPXVFZSA-N 435.505 4.373 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCO[C@@H](CCc2ccccc2)C1 757772368 ZAHMSSRVEAPUAZ-INIZCTEOSA-N 434.290 4.223 5 20 IIBD Cc1c(C(=O)N2CCOc3ccc(C(F)(F)F)cc32)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 760918485 HVQUGHGNJBQZEH-UHFFFAOYSA-N 425.319 4.178 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(SC(=O)N(C)C)c1 761893536 BBCUHVZKWVMCAL-UHFFFAOYSA-N 429.907 4.131 5 20 IIBD O=C(NC[C@@H](O)COc1cccc(F)c1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 762295971 GYEVHGAALQSDJM-QGZVFWFLSA-N 442.468 4.055 5 20 IIBD CN(C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1nc2cc(Cl)ccc2s1 766963897 UFVWBHDRWRSDDH-SNVBAGLBSA-N 448.863 4.013 5 20 IIBD O=[N+]([O-])c1nn(CN2CCC[C@@H]2c2cc(F)cc(Br)c2)cc1Br 767504234 SXRQVXUBIMOYMP-CYBMUJFWSA-N 448.090 4.250 5 20 IIBD CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)[C@@H](CCO)c1ccccc1 767800160 DWSKKVXZBHDWNY-AWEZNQCLSA-N 427.682 4.206 5 20 IIBD CC(=O)[C@@H](Cc1cccc(Cl)c1F)OC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 768640414 RRPCZYTXPOZWHB-GOSISDBHSA-N 445.834 4.145 5 20 IIBD Cc1cccc(NC(=O)N2CCN(Cc3c(Br)cccc3[N+](=O)[O-])CC2)c1 769228924 CSMMWLUEGOJUCS-UHFFFAOYSA-N 433.306 4.015 5 20 IIBD CN(C[C@@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1)C(=O)OC(C)(C)C 769335631 VLQSOCSGQPXNFG-HNNXBMFYSA-N 432.546 4.407 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)c3sc(Br)cc3[N+](=O)[O-])cc2)C[C@H](C)O1 770327841 NSQKDKYWFKBWMT-QWRGUYRKSA-N 440.319 4.285 5 20 IIBD CCCN(C(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)C(C)C 771517424 JYKJRJJGKZOZOK-UHFFFAOYSA-N 428.445 4.324 5 20 IIBD Cc1ccc([C@H](C)NC(=O)COC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1C 773602291 JUYWTEMBGWDLPH-NSHDSACASA-N 441.303 4.070 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 777954751 PFHJZBMLPFPZPU-ZDUSSCGKSA-N 435.502 4.220 5 20 IIBD O=C(COC(=O)c1cc(Cl)ncc1Cl)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 781360664 XCOOUHQGLLDIRO-UHFFFAOYSA-N 438.145 4.111 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)OCc3nnc(C4CC4)n3C3CC3)cc2[N+](=O)[O-])C1 783091907 ZKNNCTYEXSPFHQ-GASCZTMLSA-N 439.516 4.238 5 20 IIBD CCOc1cccc2cc([C@@H](C)NC(=O)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)oc12 783297051 BDCINBFUAUQCQB-LLVKDONJSA-N 431.832 4.209 5 20 IIBD CN(C)c1ccc(COC(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)cc1[N+](=O)[O-] 784503872 FUNYHLJVNRCUCJ-UHFFFAOYSA-N 430.848 4.040 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cc(-c2ccccn2)nc2ccccc12 785444378 HUSMWJRMCBVHFZ-UHFFFAOYSA-N 442.431 4.309 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)OCC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c1F 787940401 SMWODUZUDBXEQQ-UHFFFAOYSA-N 429.231 4.165 5 20 IIBD Cc1cnc(COC(=O)COc2ccc(Br)cc2Cl)c(C)c1[N+](=O)[O-] 789439811 INJWMXUZPXFNHR-UHFFFAOYSA-N 429.654 4.145 5 20 IIBD COCCCNC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)sc2c1CCCC2 790152184 WNHVQCNSFGRCAS-UHFFFAOYSA-N 449.504 4.001 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)cc1NC(=O)CN1CCCCC1 790371938 WZGKRGGQGMOZSE-UHFFFAOYSA-N 428.464 4.027 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Oc2ccccc2-c2nccs2)c(C)c1[N+](=O)[O-] 790871393 RRRYKZQVPZCWQC-UHFFFAOYSA-N 435.439 4.011 5 20 IIBD CC(C)c1ncc(Cl)c(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)n1 791233943 FPTXDODLBMJJBZ-UHFFFAOYSA-N 439.697 4.123 5 20 IIBD C[C@]1(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCc2ccccc2C1 791236454 XSAXMCHOAZZTID-NRFANRHFSA-N 429.314 4.437 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)c1cnccn1 791640281 UJKRBHSMTZBOFT-UHFFFAOYSA-N 429.841 4.229 5 20 IIBD CCOc1c(Cl)cccc1CC(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 791792909 BVTBOPFFHUNXCP-UHFFFAOYSA-N 433.892 4.044 5 20 IIBD CN(C)c1cc(F)c(C(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1[N+](=O)[O-] 793926647 PGRWBDNZOIMVQO-UHFFFAOYSA-N 437.353 4.257 5 20 IIBD CC(=O)Nc1ccc(NC(=O)COc2cc(F)c([N+](=O)[O-])cc2Cl)c(C(F)(F)F)c1 795260291 FUVSHDGIKSSMGG-UHFFFAOYSA-N 449.744 4.382 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F 800605045 WVGMKGIGKFRMSA-INIZCTEOSA-N 439.365 4.363 5 20 IIBD CC(=O)c1ccc(OC(=O)c2cc([N+](=O)[O-])cc(I)c2C)c(F)c1 800882675 PRAAORZXDUWEMG-UHFFFAOYSA-N 443.168 4.069 5 20 IIBD Cc1c(Br)cc(C(=O)N(C)c2ccc3c(C)cc(=O)oc3c2)cc1[N+](=O)[O-] 805354080 IQJNSTACLCYYAO-UHFFFAOYSA-N 431.242 4.357 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@@H]2COc3ccccc3[C@H]2O)cc1 808453866 KPXNFYIGBMLERN-RCZVLFRGSA-N 442.475 4.032 5 20 IIBD O=C(NCC1=CCCOC1)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 809262690 PAWFQCDDEBHROJ-UHFFFAOYSA-N 435.524 4.130 5 20 IIBD O=C(Nc1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cc1)C1CC1 809809203 RUPLKHLDSULORY-UHFFFAOYSA-N 431.253 4.018 5 20 IIBD CC(C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 810389178 APXOVLLCOBVUPU-STQMWFEESA-N 426.311 4.017 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC2)C1 810946913 YWERKMZWMAIIBI-MRXNPFEDSA-N 443.500 4.450 5 20 IIBD CC(C)Cn1ncc2cc(C(=O)OCc3csc(-c4cccc([N+](=O)[O-])c4)n3)cnc21 811217883 FGGVNMDJAOURJP-UHFFFAOYSA-N 437.481 4.476 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 813443266 BXUBFMSJXZOMRO-NSHDSACASA-N 432.304 4.279 5 20 IIBD C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1nccn1-c1ccccc1 813647266 RZUOAVDHIUFVEL-LLVKDONJSA-N 433.237 4.173 5 20 IIBD CC(C)(C)OC(=O)N1CC=C(CCNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC1 813741790 UQRORTBFUUMJTF-UHFFFAOYSA-N 432.521 4.086 5 20 IIBD C[C@@H](C(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccc([N+](=O)[O-])cc1F 814341479 RQRCMMZYOUFHGA-OAHLLOKOSA-N 435.496 4.087 5 20 IIBD CN(C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1)C(=O)OC(C)(C)C 815104468 KZWIVENYXXXAFG-ZDUSSCGKSA-N 445.438 4.333 5 20 IIBD C[C@@H](OC(=O)c1ccc(O)c(Cl)c1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 848950153 OZEJAIPFOROMHT-SNVBAGLBSA-N 447.856 4.261 5 20 IIBD CC(C)NS(=O)(=O)Cc1ccc(CNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)cc1 863999999 LBWJDTRJBKKLAV-UHFFFAOYSA-N 431.436 4.054 5 20 IIBD O=c1c2ccccc2nc(SC[C@@H](O)c2ccccc2F)n1-c1ccc([N+](=O)[O-])cc1 914580867 XTTOAMBDHLWVIH-HXUWFJFHSA-N 437.452 4.259 5 20 IIBD Cc1nccn1-c1ccc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cn1 917190383 VAIYKCDEAIFRHX-UHFFFAOYSA-N 428.452 4.348 5 20 IIBD CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2cc(F)ccc2F)NC(=O)N1CC1CC1 918076249 MJASMNFUJNSHGT-HXUWFJFHSA-N 442.422 4.262 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 918415208 OBZYCGWKVJDOHY-UHFFFAOYSA-N 441.793 4.397 5 20 IIBD C[C@H](OC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1 919196568 VRTUDYPSUYYDFO-JTQLQIEISA-N 446.765 4.373 5 20 IIBD Cc1cc(C(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCCC3)cc([N+](=O)[O-])c1 920842414 HHLLCEJXWXRZQH-INIZCTEOSA-N 443.525 4.005 5 20 IIBD C[C@H](OC(=O)c1cccc(COc2cccc(C=O)c2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 1251698889 OTSHRXBZRMHFMO-INIZCTEOSA-N 448.431 4.170 5 20 IIBD COc1ccc(NC(=O)N(CCc2ccc(OC)c(OC)c2)CC(C)C)c([N+](=O)[O-])c1 1263627869 ZGXMFBYFQIMCSC-UHFFFAOYSA-N 431.489 4.353 5 20 IIBD C[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 1319560977 XREGZNSWOGYYME-HRAATJIYSA-N 439.512 4.382 5 20 IIBD COc1cc(COC(=O)c2cnn(C3CCCCC3)c2)c([N+](=O)[O-])cc1OC(F)F 1321747215 RKQYWGYNTSDUFI-UHFFFAOYSA-N 425.388 4.264 5 20 IIBD CCc1ccc(-c2nnc([C@H](CCSC)NC(=O)c3cccc([N+](=O)[O-])c3)o2)cc1 1341326828 GKUXPXOVJPZFOQ-SFHVURJKSA-N 426.498 4.431 5 20 IIBD O=[N+]([O-])c1ccccc1OCc1nnc(CCc2ncc(-c3ccc(F)cc3F)o2)o1 1345738629 BLGWJSNBIUPXMJ-UHFFFAOYSA-N 428.351 4.275 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3nccc4[nH]ccc34)cc2)CCC1)c1ccc([N+](=O)[O-])o1 1788462841 FNKWPJGVYCIHBT-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)NC1(c2ccc(NC(=O)[C@H]3CC3(F)F)cc2)CCC1 1789137285 ZCMRVCDVTFQLFO-OAHLLOKOSA-N 447.413 4.445 5 20 IIBD C[C@H]1C[C@@]1(C)C(=O)NC1(c2ccc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCC4)cc2)CCC1 1790044993 AKQHPQHFGHLJKM-IZHWHUGBSA-N 449.507 4.324 5 20 IIBD CC(C)CC(=O)NC1(c2ccc(NC(=O)c3cc(N(C)C)ccc3[N+](=O)[O-])cc2)CCC1 1790054778 ZQENESRPFALWIJ-UHFFFAOYSA-N 438.528 4.455 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@@H]3CCCCO3)CCC2)cc1)c1cc(F)cc([N+](=O)[O-])c1 1790695080 AZNPGLIMQYYIEL-FQEVSTJZSA-N 441.459 4.051 5 20 IIBD CCCCC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)Cn3cc([N+](=O)[O-])cn3)CCC2)cc1 1791312180 ARSJZZKDRDIEMX-KRWDZBQOSA-N 441.532 4.142 5 20 IIBD CCCC(=O)N1CCC2(CCCN(C(=O)CCCc3cc(C)c(F)cc3[N+](=O)[O-])C2)CC1 1805821397 MHMZYKSIGLBNOI-UHFFFAOYSA-N 447.551 4.396 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)[nH]n1)C1CCCCC1 1816703020 OSCGRBAXVGUKEB-CKDFRHGISA-N 441.488 4.197 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCCC[C@@H]1C1CCN(C(=O)C2(F)CCCCC2)CC1 1823613907 DSZXSTQDQNYKBP-QGZVFWFLSA-N 435.496 4.094 5 20 IIBD CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1826402055 ZEUVKHMZAFYOSL-OAQYLSRUSA-N 429.561 4.193 5 20 IIBD C[C@@H](OC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(OCc2ccccc2)cc1 11468044 AQNMWRVWLCKPPR-QGZVFWFLSA-N 434.448 4.287 5 20 IIBD CC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2ccccc2[N+](=O)[O-])cc1 14354248 CNXMFYTXKOKBNP-UHFFFAOYSA-N 442.468 4.328 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)cc([N+](=O)[O-])c1 14662675 QOLVFNZPRAZVNW-UHFFFAOYSA-N 447.163 4.415 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c(Cl)c1 24184493 WJJYXZJMFMZDMB-OAHLLOKOSA-N 445.903 4.343 5 20 IIBD COc1ccccc1[C@@H](C)NC(=O)[C@H](C)OC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 26342614 ZAPNPWHYELUMHV-CABCVRRESA-N 428.485 4.324 5 20 IIBD O=C(COC(c1ccccc1)c1ccccc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 32896357 WIDMLYCQCGNXTE-UHFFFAOYSA-N 431.492 4.050 5 20 IIBD Cc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 43741309 HGXXGQCNVGRFSE-INIZCTEOSA-N 439.493 4.195 5 20 IIBD O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 58185458 FHVCZSAHMKFKIL-UHFFFAOYSA-N 443.467 4.018 5 20 IIBD CCOCCOc1c(Cl)cccc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 62917895 ZUERBIWJONTHBQ-UHFFFAOYSA-N 430.848 4.102 5 20 IIBD O=C(c1cc(NCCc2cc(Br)ccc2F)ccc1[N+](=O)[O-])N1CCCC1 65280550 SEKCQEQVCQUDNH-UHFFFAOYSA-N 436.281 4.387 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)cc([N+](=O)[O-])c1 71963148 CPLJQHRLVOAKAV-UHFFFAOYSA-N 430.420 4.257 5 20 IIBD Cc1ccc(NC(=O)C2(CNc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CCCC2)cc1C 301519798 HJJUUCYLBVKENL-UHFFFAOYSA-N 445.541 4.226 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N(Cc2csc(Br)c2)C2CC2)s1 302097395 STFGAUOJBNUMJG-UHFFFAOYSA-N 437.362 4.053 5 20 IIBD O=[N+]([O-])c1c(Oc2ccc(Oc3ncc(Br)cn3)cc2)nc2sccn12 302765513 LKIWKQGCTCQBTA-UHFFFAOYSA-N 434.231 4.441 5 20 IIBD O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 409582065 NYBZZDHHMDOVNP-HNAYVOBHSA-N 438.402 4.434 5 20 IIBD COC(=O)[C@H](NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1cccs1 426404649 IRMSJFSWYVCQBH-GOSISDBHSA-N 428.491 4.452 5 20 IIBD COc1ccccc1-c1ccc(CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C(C)C)cc1 426961954 AIVKDPYKUXLPLK-UHFFFAOYSA-N 437.500 4.087 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)N(C[C@H]1CCCO1)c1ccc(Br)cc1 427599454 AXEXVDQDCPUWMP-MRXNPFEDSA-N 435.274 4.192 5 20 IIBD CCCCOc1ccccc1NC(=O)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 427859566 WOJDTZSPCNDKGZ-UHFFFAOYSA-N 439.390 4.047 5 20 IIBD COc1cc(CN[C@H](C)[C@H]2OCCc3sccc32)c([N+](=O)[O-])cc1OCC(F)F 429121528 GXBWTCOTNLMBSN-NSPYISDASA-N 428.457 4.101 5 20 IIBD Cc1ccc(C(C)(C)CNC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc1 430311219 HRBXDQUBCRQQOA-UHFFFAOYSA-N 448.317 4.007 5 20 IIBD Cc1ccc(SC2(CNC(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)CCCC2)cc1 430579822 KZQQSTPAANKHCQ-UHFFFAOYSA-N 448.566 4.142 5 20 IIBD COCCCOc1cccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 431096519 JZOPAJCWMDROSH-UHFFFAOYSA-N 429.473 4.085 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCCCN3CCCO[C@H](C)C3)c([N+](=O)[O-])c2)cc1 432874151 AUBKYUWQJPDLNL-GOSISDBHSA-N 426.517 4.068 5 20 IIBD COc1cc([C@@H](C)NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc(OC)c1OC 437920116 XXLAWWINSQQUOH-CQSZACIVSA-N 429.473 4.056 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 439874722 BUDMPQQYDPFFBY-UHFFFAOYSA-N 431.836 4.061 5 20 IIBD CC1(C)CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 440916892 LMQQLLHJCYUCKZ-VUMVONDWSA-N 427.545 4.007 5 20 IIBD Cn1cc(C(=O)Nc2cc3c(cc2Br)CCC3)c(-c2ccc([N+](=O)[O-])cc2)n1 443870826 UDUOZNDCNPCSHG-UHFFFAOYSA-N 441.285 4.499 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1 443948558 NGRKHKOIGWHEEX-MRXNPFEDSA-N 448.545 4.125 5 20 IIBD CC(C)(O)COc1ccc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc1 444100491 NAPQHDJVGKCQID-UHFFFAOYSA-N 438.430 4.362 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1cccc(NC(=O)c2ccccc2)c1 444847580 JPZZFTDHJWISBI-UHFFFAOYSA-N 430.424 4.045 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccc(OCC(F)(F)F)cc1 445693374 VVSLGGULZIDFHA-UHFFFAOYSA-N 433.180 4.480 5 20 IIBD O=C(Cn1cnc(-c2ccccc2)n1)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] 446431698 QBRQSHZKYJXJGX-UHFFFAOYSA-N 429.436 4.071 5 20 IIBD CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1 447065701 BIQAKPRSUOSTFZ-QGZVFWFLSA-N 442.516 4.389 5 20 IIBD COc1ccc2c(c1OC)CCN(c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])C2 447687705 JWUXZUVLJOEONX-UHFFFAOYSA-N 433.333 4.224 5 20 IIBD CC(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 460627239 GSFOXPFJRPQWKS-FXAWDEMLSA-N 443.454 4.100 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2ccccc2CC(F)(F)F)c1 460821054 FARGXZUHXZNKCY-UHFFFAOYSA-N 439.209 4.263 5 20 IIBD COc1ccccc1-c1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1C[C@H]1CCOC1 461704237 GMLBRVUEXUNCDU-GOSISDBHSA-N 449.511 4.067 5 20 IIBD CN(CCCOc1ccc(F)cc1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 462417989 FWDZZLAWOWJADH-UHFFFAOYSA-N 437.276 4.130 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](CC(=O)N(C)C)c2cc(Cl)ccc21 462602663 NIMWLNVUVYSRBI-IRXDYDNUSA-N 443.931 4.426 5 20 IIBD Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)n(-c2ccc(Cl)cc2)n1 463514246 BXNZPPDQYHFXAP-UHFFFAOYSA-N 443.872 4.091 5 20 IIBD O=C(Nc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccccc1 463522115 HODAIMYOIDEVBC-UHFFFAOYSA-N 448.460 4.196 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 463522588 ZVHINNSHGQIATF-SAABIXHNSA-N 432.318 4.487 5 20 IIBD CC(C)(C)Oc1cc(N2CCCN(c3nnc(C(F)(F)F)s3)CC2)ccc1[N+](=O)[O-] 466473454 KELGJFASILOWHS-UHFFFAOYSA-N 445.467 4.359 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)CCn1nc(C)c([N+](=O)[O-])c1C 469324462 MOPWSZMLBVWONB-INIZCTEOSA-N 427.530 4.450 5 20 IIBD CCCOc1ccccc1[C@@H](CC(C)C)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 470245494 CLMZKXBMONJGMG-LJQANCHMSA-N 437.500 4.482 5 20 IIBD Cn1cc(CCNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c2ccc(F)cc21 472828666 ACTYVIQAFOIVDG-UHFFFAOYSA-N 440.475 4.021 5 20 IIBD Cc1nc(NC(=O)CCc2ncc(-c3ccccc3Br)o2)ccc1[N+](=O)[O-] 475320580 KNNWYLQQNXZRTJ-UHFFFAOYSA-N 431.246 4.287 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCOc1ncc(Cl)cc1Cl 475363305 TZLOXMZYESAMPJ-UHFFFAOYSA-N 427.288 4.296 5 20 IIBD CCc1nc2c(s1)[C@H](N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br)CCC2 478289098 XOGGXCYWRXLIKI-OAHLLOKOSA-N 438.347 4.455 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F 478910505 KZCPDIWXBBKLGK-CQSZACIVSA-N 448.195 4.231 5 20 IIBD Cn1ccc(CN[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)c1 479422354 LNOMNWONPIWVER-LJQANCHMSA-N 443.301 4.165 5 20 IIBD O=C(N[C@@H]1CCN2CCC[C@@H]2C1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 480508970 ACDAGZHELOJAQU-IAGOWNOFSA-N 428.920 4.217 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1)N1CCOCC1 481597557 NNADYRDKQDRVRN-OAQYLSRUSA-N 443.569 4.146 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1ccc(C(F)(F)F)cc1 482158579 LLRMVHXSLVCEFH-OAHLLOKOSA-N 435.358 4.129 5 20 IIBD Cc1cc(F)ccc1N1CCC[C@H](NC(=O)c2sc(Br)cc2[N+](=O)[O-])C1 485492748 PFZBDMABLAGHGO-LBPRGKRZSA-N 442.310 4.265 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)cc1[N+](=O)[O-] 486627103 JCVQXVRZIYPPSU-VIFPVBQESA-N 435.449 4.189 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1OCc1nc(-c2cc(F)c(F)c(F)c2)no1 486912938 QTIJQIGYRZFIBI-UHFFFAOYSA-N 430.136 4.404 5 20 IIBD Cc1ccc(-n2cnc3c2CCN([C@@H](C)c2nnc(-c4ccc([N+](=O)[O-])cc4)o2)C3)cc1 487973354 SFINAYXQVRCBGT-INIZCTEOSA-N 430.468 4.258 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cn(CC(C)C)nc1C(F)F 489122612 PIMPCFKFGAEAPA-UHFFFAOYSA-N 428.461 4.376 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 489195018 JURXYAGPOYXQNG-CYBMUJFWSA-N 437.468 4.317 5 20 IIBD COc1cc(CN2C[C@H](C)O[C@H](c3ccsc3)C2)c([N+](=O)[O-])cc1OCC(F)F 490600227 ZYOCHOJCZXQDNF-SGTLLEGYSA-N 428.457 4.271 5 20 IIBD CCc1cccc2c(C3CCN(C(=O)[C@@H](C)NC(=O)c4cccc([N+](=O)[O-])c4)CC3)c[nH]c12 490818478 JQCAQXHTUQDWLL-MRXNPFEDSA-N 448.523 4.163 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)cc1[N+](=O)[O-] 491651607 CVVAWDCICNXWJY-MRXNPFEDSA-N 431.514 4.027 5 20 IIBD Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])C2)cc1 497858853 RDUBCINFDDJUGG-OAHLLOKOSA-N 430.892 4.231 5 20 IIBD CCCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC 508230504 KBLIZVGKXXDVGH-UHFFFAOYSA-N 447.296 4.294 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N1CCC[C@@H]1Cc1ccccc1 509506713 VSFKIPMBEHGQBR-CQSZACIVSA-N 436.249 4.047 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 509550832 ZEQGRWNBHMPMSO-IAGOWNOFSA-N 427.505 4.046 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)c([N+](=O)[O-])c1 509604722 UCECHUOMIFPXHW-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD COc1ccc(C[C@@H](NCc2cc(OC)c(O)cc2[N+](=O)[O-])c2ccc(OC)cc2)cc1 509617798 KNGXSUQQTBIXDX-OAQYLSRUSA-N 438.480 4.400 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1[N+](=O)[O-] 509823973 XTIIKFCEXMIHTJ-UHFFFAOYSA-N 436.653 4.152 5 20 IIBD COc1cc(CN2CCC[C@@H](CN3CCC(C)CC3)C2)c([N+](=O)[O-])cc1OC(F)F 512180268 NNYIUOYYETVQFF-INIZCTEOSA-N 427.492 4.149 5 20 IIBD CN(CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 512270544 PGHXUHDJCBPBML-UHFFFAOYSA-N 444.509 4.159 5 20 IIBD Cc1ccc(CNC(=O)C2CCN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)cc1 512710303 QEWNBRKKZHWQGI-UHFFFAOYSA-N 433.455 4.033 5 20 IIBD COc1cc(CNC2CCN(CC3CC3)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 513110959 WGSLDPBFPAAQDW-UHFFFAOYSA-N 425.529 4.146 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CN[C@@]3(Cc4ccc(C(F)(F)F)cc4)CCOC3)n2)c1 513184049 PMVJZWAYKBBFLL-HXUWFJFHSA-N 448.401 4.155 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1ncccc1C(C)C 513809090 DQTLPGRNWHPYNT-UHFFFAOYSA-N 425.226 4.279 5 20 IIBD COc1cccc(CNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])c1OC 515501631 MABMZSYTHBKBQS-UHFFFAOYSA-N 443.481 4.025 5 20 IIBD C[C@H](NCc1cc(I)cc([N+](=O)[O-])c1)c1nccn1-c1ccccc1 517441943 KPPRUSHVSADIEU-ZDUSSCGKSA-N 448.264 4.236 5 20 IIBD O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 519927669 MOGGFITWVLGMHG-FQEVSTJZSA-N 446.454 4.105 5 20 IIBD O=[N+]([O-])c1ccc2nc(NCc3ccc(-n4ccc(C(F)(F)F)n4)cc3)nc(O)c2c1 520209209 NSVUNTSSRRIGII-UHFFFAOYSA-N 430.346 4.060 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1csc(-c2ccc3c(c2)OCCO3)n1 521326985 LNXPLJROPMDVJH-UHFFFAOYSA-N 449.391 4.343 5 20 IIBD O=C(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)Nc1c(Cl)cccc1C(F)(F)F 524402406 QUTLOATWRGGVHB-UHFFFAOYSA-N 425.754 4.164 5 20 IIBD COc1ccc([C@H](NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)c2ccc(C)cc2)cc1 525020748 IPDNDZFEQSHPBS-JOCHJYFZSA-N 436.464 4.448 5 20 IIBD CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 530801488 NVRIQCUSKSXSLA-INIZCTEOSA-N 428.489 4.081 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)c1ccc(NC(=O)N(CC)CC)cc1 532148285 XJEHFWKEOHYCHH-HNNXBMFYSA-N 448.545 4.070 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](c3nc4ccccc4s3)C2)c([N+](=O)[O-])c1 532625637 DPTMBVVVJOAAGK-HUUCEWRRSA-N 440.525 4.420 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(Oc2ccccc2Cl)CC1 533148120 SHAHSYBTBBJZHC-UHFFFAOYSA-N 433.892 4.129 5 20 IIBD COc1ccc(CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@H](C)C2CC2)cc1 533248185 QHMXEYFTIBJSPM-MRXNPFEDSA-N 425.485 4.202 5 20 IIBD CC[C@](C)(NC(=O)c1cc(I)cc([N+](=O)[O-])c1)c1nc(C)cs1 534286329 VGDPNNJQNNEWHX-HNNXBMFYSA-N 445.282 4.020 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCCSCC(F)(F)F)cc1[N+](=O)[O-])c1ccccn1 538803364 YEJADSSSWYQJDB-LBPRGKRZSA-N 428.436 4.188 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nccn1Cc1ccc(Br)cc1 539488305 CVCNBQOIRRFMON-UHFFFAOYSA-N 445.273 4.253 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)c2cc(C)oc2C)CC1 539631023 IUIHYEOHHQTIBF-UHFFFAOYSA-N 445.541 4.295 5 20 IIBD COc1cc(CN2CC[C@H]3[C@H](CCCN3C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 539899725 JTUFMOZRLOYGBX-IRLDBZIGSA-N 425.529 4.099 5 20 IIBD COc1ccc(-c2csc(NC(=O)[C@@H](C)N[C@@H](C)c3cccc([N+](=O)[O-])c3)n2)cc1 540379918 KJNKEFDCIRCACE-UONOGXRCSA-N 426.498 4.405 5 20 IIBD COc1cc([C@@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC1CCCC1 541324727 XBTKSGIJKOHMSC-MRXNPFEDSA-N 448.541 4.049 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1cc(Cl)ccc1N1CCOCC1 542189623 PNRQYDJUHJMIKY-UHFFFAOYSA-N 442.324 4.469 5 20 IIBD COc1ccc(Cc2noc(-c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)n2)c(Cl)c1OC 544406147 IJIWSMNAQQAVLL-UHFFFAOYSA-N 441.831 4.092 5 20 IIBD COc1ccc(Cc2noc(-c3ccc(F)cc3[N+](=O)[O-])n2)c(Br)c1OC 544526537 VCWZGFLCNPZKIM-UHFFFAOYSA-N 438.209 4.154 5 20 IIBD CS(=O)(=O)N1CCc2c(NCc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)cccc21 544620823 MIFZNGGHKWYBHR-UHFFFAOYSA-N 429.523 4.258 5 20 IIBD COC(=O)[C@@H](C)Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 544732733 AJWZCPHQNCOIQH-KRWDZBQOSA-N 428.488 4.145 5 20 IIBD Cc1ccc(-c2noc(CCNC(=O)c3ccc([N+](=O)[O-])cc3)n2)c(OC2CCCC2)c1 545036978 HCHGETGAZSJGDX-UHFFFAOYSA-N 436.468 4.247 5 20 IIBD O=[N+]([O-])c1cccc2ncnc(N3CCC(Oc4cccc(Br)c4)CC3)c12 546055879 SZBJDNKGMLECGT-UHFFFAOYSA-N 429.274 4.348 5 20 IIBD CC(C)(C(=O)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1)c1ccc([N+](=O)[O-])cc1F 546552162 QZVPXNXCZYORKX-SFHVURJKSA-N 438.402 4.213 5 20 IIBD CCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCN(Cc2ccccc2)C1 546890716 YKTOGOWZCJRBLL-QGZVFWFLSA-N 432.318 4.094 5 20 IIBD COc1ccccc1-n1c(C)nnc1SCc1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 546982290 NEEVCMYINXSHOQ-UHFFFAOYSA-N 438.469 4.143 5 20 IIBD CC[C@@H](C)Oc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 549491907 HSGFBZOCPGMZJZ-IIBYNOLFSA-N 425.485 4.324 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1nnc(-c2ccsc2)s1 551518951 QJBSTEYWTZNPPM-UHFFFAOYSA-N 425.289 4.498 5 20 IIBD O=C(c1ccc(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1)N1CCC(CO)CC1 559230227 KKZWFXXWXPLOKP-UHFFFAOYSA-N 435.480 4.311 5 20 IIBD CSc1cccc([C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])c2ccc(F)c(F)c2)c1 565572322 ZOMWPIUOZUDESJ-KRWDZBQOSA-N 430.436 4.290 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(Br)cc2F)cc1OC 569167046 MPRBJZNDAZDAOM-SNVBAGLBSA-N 441.253 4.395 5 20 IIBD Cn1ccnc1[C@H](NC[C@@H]1CCCCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 575167584 JEPHMKNMYNVCJX-XUZZJYLKSA-N 433.556 4.310 5 20 IIBD COc1ccc(CN2C[C@@H](N3CCCC3)C[C@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 589188811 QYCXGVBOOFRAHW-GCJKJVERSA-N 425.529 4.241 5 20 IIBD C[C@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c2ccsc2S1(=O)=O 589335426 LZIVCGOIQRANCV-UFBFGSQYSA-N 449.432 4.104 5 20 IIBD CC(C)CCSc1ccc(C(=O)N(C)Cc2nnc3n2CCCCC3)cc1[N+](=O)[O-] 603500941 AFEJHOSWOGWJRR-UHFFFAOYSA-N 431.562 4.323 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)Cc1ccc(-n2cccc2)cc1)c1ccccc1[N+](=O)[O-] 603573984 DGVUVXIIGRFFGF-OAQYLSRUSA-N 435.480 4.127 5 20 IIBD COc1cc(C(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)c([N+](=O)[O-])cc1OC 603982176 GSXBKWJHWLADRS-HNNXBMFYSA-N 437.452 4.077 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(CN2C[C@H](C)O[C@H](C)C2)cs1 604455242 PPRYYSNOQFOVEN-IYBDPMFKSA-N 447.561 4.103 5 20 IIBD C[C@H]1Cc2ccccc2N1C1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 604483458 WUINZEUFMCPFHR-HNNXBMFYSA-N 428.920 4.102 5 20 IIBD CN(C)c1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cn1 608836365 PUTJHQVDOWFUKJ-UHFFFAOYSA-N 428.496 4.198 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 609148316 CNJAHXNCBRZGKA-QGZVFWFLSA-N 432.471 4.320 5 20 IIBD CN(Cc1cccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c1)Cc1cscn1 609507701 IECXAOHDCJCQSG-UHFFFAOYSA-N 448.508 4.121 5 20 IIBD COC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC(F)F)c1 609509938 MTESYMOSGQBQKQ-VIFPVBQESA-N 444.774 4.042 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@H](N2CCCC2)CC1 609977393 CMBLKIFGMFHGMB-HNNXBMFYSA-N 431.480 4.183 5 20 IIBD Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])o1 609978516 OAOQVEHOJSELCB-SGTLLEGYSA-N 442.859 4.033 5 20 IIBD COc1ccc([C@@H]2CCCN2C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c(OC)c1 610104502 NOBOOUVDAXDSBK-NRFANRHFSA-N 427.501 4.481 5 20 IIBD O=C(c1ccc(Oc2ccc(F)cc2)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 610118462 JQGVZUDBDSTCII-UHFFFAOYSA-N 449.438 4.124 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 610195473 GNOYUVUPJNJYJN-UHFFFAOYSA-N 436.449 4.129 5 20 IIBD O=C(N[C@H]1CCN(c2ncccc2F)C1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611206751 DAEVXXKTLJBFOM-AWEZNQCLSA-N 430.505 4.172 5 20 IIBD O=C(C[C@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)c1ccco1 611215924 JUCSCDGGNKEGHT-INIZCTEOSA-N 444.509 4.337 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC(OCc2ccccc2F)CC1 611258115 TUDGJVHAYWSTDU-UHFFFAOYSA-N 429.492 4.447 5 20 IIBD COc1cc(CN(C)[C@@H]2CCCc3c2cnn3C)ccc1OCc1ccc([N+](=O)[O-])cc1 611276030 AFPMIVHPIKVJMH-OAQYLSRUSA-N 436.512 4.425 5 20 IIBD O=C(N[C@@H]1CCOC2(CCOCC2)C1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 612482124 SZFCCQUAHVSOAK-QGZVFWFLSA-N 434.558 4.335 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(Cc2csc(-c3ccccc3)n2)no1 612867342 FWJBPWLQADTDJF-CYBMUJFWSA-N 435.465 4.183 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1C 619467438 HIVTUBQBLBRLJN-UHFFFAOYSA-N 428.466 4.292 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCc2sccc2[C@H]1c1cccs1 619474299 VKMLQMFEEQIIOV-KRWDZBQOSA-N 436.536 4.063 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC([C@@H]4CCOC4)CC3)n2Cc2cccs2)c1 619854947 RNDYOQYYSFKGTP-GOSISDBHSA-N 439.541 4.216 5 20 IIBD Cc1cc(NC(=O)[C@@H](C)OC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])ccc1Br 725935247 ILWGJPZSRVLCQK-SECBINFHSA-N 443.200 4.128 5 20 IIBD Cc1nn(CCC(=O)O[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c(C)c1[N+](=O)[O-] 726648119 FBHCOWRALCEVKA-XMMPIXPASA-N 446.463 4.447 5 20 IIBD O=C(Cc1ccccc1)Nc1cc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])ccc1F 727708519 UPRKGUAYQLJDHM-UHFFFAOYSA-N 429.354 4.446 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)C[C@H](c1ccccc1)C(F)(F)F 728658280 UDOPPBJNERXCAO-SWLSCSKDSA-N 440.374 4.210 5 20 IIBD CCC(CC)(NCN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(Cl)cc1 728900639 NNCXAACPCDKZST-UHFFFAOYSA-N 430.892 4.279 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)cc1[N+](=O)[O-] 731578684 SRKXVMHNHOIIJZ-UHFFFAOYSA-N 447.407 4.290 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 731831054 HDJKWSKXYYJKQY-OAQYLSRUSA-N 440.887 4.020 5 20 IIBD CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1Br 739568453 WCTYRTIYVMGHJQ-GFCCVEGCSA-N 444.326 4.027 5 20 IIBD CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)c1cc(F)ccc1F 740896904 HNAKPVYKVNQNCK-AWEZNQCLSA-N 435.246 4.065 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc(OS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 742317715 WCNVKVVTQJSBRF-UHFFFAOYSA-N 428.850 4.363 5 20 IIBD CC(=O)Nc1ccc(OC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c(F)c1 742836425 WUYZSTSQUAJPFB-ZIAGYGMSSA-N 429.448 4.394 5 20 IIBD O=C(COC(=O)[C@H]1CCSc2ccccc21)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 745428801 QTBHWLBUNCTBEU-ZDUSSCGKSA-N 440.399 4.375 5 20 IIBD O=C(COC(=O)[C@@H]1C[C@]12CCCc1ccccc12)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 745715795 HDESARGYUIYGQZ-UWJYYQICSA-N 448.397 4.390 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OCc2nc(-c3ccccn3)no2)cc1 746066080 SDMKUSZLWJNDJE-UHFFFAOYSA-N 448.391 4.198 5 20 IIBD COc1ccccc1N(Cc1nccs1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 746558108 QGWKZJPEXHWCAT-UHFFFAOYSA-N 439.902 4.109 5 20 IIBD C[C@H](OC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 747520068 IMVVEQMHQIKITL-JECHBYEQSA-N 433.258 4.031 5 20 IIBD Cc1c(C(=O)NCc2ccccc2CN2CCC(C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748712841 DKGPYNCOIFIJGG-UHFFFAOYSA-N 440.500 4.282 5 20 IIBD CCCCCn1nc(C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1I 748758960 IAHJIYJTGQEECS-UHFFFAOYSA-N 442.257 4.147 5 20 IIBD Cc1c(C(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748952520 XLQNZTWVQKVODZ-UHFFFAOYSA-N 427.196 4.466 5 20 IIBD CC(C)(C)C[C@@H](O)C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 751770507 DAZLZMCZTSCHIE-QZTJIDSGSA-N 434.876 4.268 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)cc1[N+](=O)[O-] 753080633 RSXFCFKZAOLCEZ-QZTJIDSGSA-N 440.905 4.040 5 20 IIBD O=C(CCN(Cc1ccccc1)C[C@H](O)c1cccs1)Nc1cc([N+](=O)[O-])ccc1F 753920174 WGJAQRXLVQDDPK-FQEVSTJZSA-N 443.500 4.360 5 20 IIBD CSc1ccc(C(=O)OCc2nc(COc3cc(C)cc(C)c3)no2)cc1[N+](=O)[O-] 754244108 ZIXZIJWFHYXTLP-UHFFFAOYSA-N 429.454 4.253 5 20 IIBD CC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1NC(=O)OC(C)(C)C 756918520 PVDCGCREOPUOHS-DOMZBBRYSA-N 426.901 4.405 5 20 IIBD Cc1cc(F)c(C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1F 758097468 XKDKNPXQLLEUFA-LLVKDONJSA-N 447.419 4.489 5 20 IIBD Cc1nn(CCOC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c2ncc(Br)cc12 759862142 YPNZHUSGLQUCRR-UHFFFAOYSA-N 445.229 4.014 5 20 IIBD Cc1nn(C)c(C)c1[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Br)C(F)(F)F 760763589 VFCTYBANDSNZHV-ZDUSSCGKSA-N 436.184 4.168 5 20 IIBD C[C@H](OC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C(=O)Nc1cccc(Br)c1 762898365 MTJSLSVSQVZOIH-JTQLQIEISA-N 432.230 4.023 5 20 IIBD CN1C(=O)C[C@H](COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[C@@H]1c1cccc(Cl)c1 763016445 ZGIIXZSSEMHULQ-VLIAUNLRSA-N 448.878 4.428 5 20 IIBD C[C@@H](NC(=O)COC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(OC(F)(F)F)cc1 763419677 JXJKQWUYPSPDCB-CHWSQXEVSA-N 440.374 4.018 5 20 IIBD COC(=O)c1ccc(OC(=O)COc2ccc(C3SCCCS3)cc2)cc1[N+](=O)[O-] 763711271 YTZZGSLKUYPUJV-UHFFFAOYSA-N 449.506 4.235 5 20 IIBD C[C@@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1nc2cc(Br)cnc2[nH]1 764633567 QHIJBHAVKLZFSS-SNVBAGLBSA-N 433.262 4.211 5 20 IIBD O=C1c2cc(Cl)ccc2N[C@H](c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N1c1ccncc1 765984141 ZHBUVPOIIBQKPR-SFHVURJKSA-N 425.788 4.323 5 20 IIBD O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc2nc(C(F)(F)F)cn2c1 769948132 QDMUVNNLOAZPPS-UHFFFAOYSA-N 432.314 4.273 5 20 IIBD CC(=O)CCc1ccc(OCCC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1 770326680 QLVKGIVTNHJOCR-UHFFFAOYSA-N 435.274 4.287 5 20 IIBD CCOc1cc(C(=O)N[C@@H](C)[C@@H](O)c2c(Cl)cccc2Cl)c([N+](=O)[O-])cc1OC 771711960 LTPCFJNQAHVRPQ-XTZNXHDOSA-N 443.283 4.161 5 20 IIBD C[C@H](N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)c1c(Cl)cccc1Cl 773038749 GXNAWXVRPOZDKZ-UYSIFFEZSA-N 426.300 4.330 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(NCc3ccc(COC4CCOCC4)cc3)CC2)cc1 773094404 QQBYONLKQCVTJM-UHFFFAOYSA-N 425.529 4.049 5 20 IIBD O=C(OCc1ccc(OCC(F)(F)F)nc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 775044633 PJRDCQLRIRZBJQ-UHFFFAOYSA-N 439.371 4.411 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)C1(Cc2cccc(F)c2)CCC1 775069715 XXVAJLLDJJRCIF-CQSZACIVSA-N 430.432 4.026 5 20 IIBD CCc1cc(=O)c2cc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)ccc2[nH]1 777786830 FSKZSDVXOBVHQL-UHFFFAOYSA-N 434.496 4.487 5 20 IIBD Cc1cc(NC(=O)c2ccco2)sc1C(=O)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 778783446 NUVIROQWCQDTEW-INIZCTEOSA-N 441.465 4.246 5 20 IIBD C[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 780545700 STJCZFILEPIQAI-SJLPKXTDSA-N 449.551 4.447 5 20 IIBD COc1cc(C2SCCS2)ccc1OC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781573931 CWWRGMVKRFRULO-GOSISDBHSA-N 446.506 4.181 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(Oc2ccc(F)cc2)nc1 781617251 PTJGTDQKRWPQQI-UHFFFAOYSA-N 426.360 4.401 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F 782483161 MGSAXLVQUWZDQC-UHFFFAOYSA-N 443.454 4.156 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 783304985 BAISLKYBSBKPPT-LBPRGKRZSA-N 444.900 4.203 5 20 IIBD COc1cc(OC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(OC)c1OC 784678974 AFSLJABLFNKUND-UHFFFAOYSA-N 447.387 4.337 5 20 IIBD COc1cc(C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)cnc1Br 788428549 PYOYXQDZDPHFOD-UHFFFAOYSA-N 449.286 4.445 5 20 IIBD O=[N+]([O-])c1c(Oc2ccc(Oc3ncc(Br)cn3)cc2)nc2ccccn12 788872437 LTSBXCNFYCDPRL-UHFFFAOYSA-N 428.202 4.380 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(-c3nccs3)cc2)c(C)c1[N+](=O)[O-] 790387890 VVUDZNFFIKAKPP-UHFFFAOYSA-N 434.455 4.044 5 20 IIBD CCOc1cc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])cc1OCC 790627454 PVXVYXIRNSRNQN-GFCCVEGCSA-N 435.458 4.420 5 20 IIBD Cc1c(CNC(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)cccc1[N+](=O)[O-] 791019286 XAFVXWFSAFHBIG-UHFFFAOYSA-N 445.475 4.058 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 793040564 SXNHYECIFQHKNS-UHFFFAOYSA-N 442.472 4.176 5 20 IIBD COc1ccc2c(c1)CN(Cn1c(=O)oc3cccc([N+](=O)[O-])c31)[C@@H](c1ccccc1)C2 794631538 CJUALFBFSUPQLJ-OAQYLSRUSA-N 431.448 4.268 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)c1csc(CCNC(=O)OC(C)(C)C)n1 795903308 ZURAIBZCTWQQIA-ZDUSSCGKSA-N 435.502 4.345 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Br)N(CCc1ccccn1)Cc1cccnc1 797594071 DTPMBMRCZHJWSU-UHFFFAOYSA-N 441.285 4.032 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(OCC(F)(F)F)c(F)c1 799927076 OPZCUAVLDZWWPR-UHFFFAOYSA-N 428.747 4.129 5 20 IIBD O=C(OCc1ccccc1)[C@@H](CNc1nc(O)c2cc([N+](=O)[O-])ccc2n1)c1ccccc1 804646690 MLBWVDUCCLATPC-FQEVSTJZSA-N 444.447 4.183 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1)c1nncn1C 805364438 LWDOWAHKXFKJLN-QGZVFWFLSA-N 449.511 4.100 5 20 IIBD O=C(OCCn1ccc2cc(Cl)ccc21)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 806060042 WUBWYEBZVFMGHA-MRXNPFEDSA-N 447.900 4.112 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cccc1[N+](=O)[O-] 811373034 NWXSQNYCUBIJQK-SECBINFHSA-N 442.211 4.302 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 813245308 PHUFKUUXCLSZGE-CQSZACIVSA-N 426.281 4.055 5 20 IIBD CCCc1nc(C)c(CNc2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])o1 813635090 KGHCWNDTSCHEDT-UHFFFAOYSA-N 429.227 4.135 5 20 IIBD C[C@@H](Nc1cccc(NS(=O)(=O)Cc2ccccc2)c1)c1ccc(N)c([N+](=O)[O-])c1 815628487 BGTKGCHFMWNLDG-OAHLLOKOSA-N 426.498 4.292 5 20 IIBD COc1cc(COC(=O)c2cnn(-c3ccc(C)cc3)c2C)c([N+](=O)[O-])cc1OC(F)F 900653206 JSLIAIWWTHYCBN-UHFFFAOYSA-N 447.394 4.364 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COc1ccc(N(C)S(=O)(=O)c2ccc(F)cc2)cc1 912444963 CWRLIFBZJWNGKN-UHFFFAOYSA-N 446.456 4.147 5 20 IIBD CCOc1ccc(N2C(=O)/C(=C/NNc3ccccc3[N+](=O)[O-])c3ccccc3C2=O)cc1 912742335 OTJDJFCOVBRUKH-HMMYKYKNSA-N 444.447 4.138 5 20 IIBD COc1ccc(CSCC(=O)OCc2c(F)c(F)c(F)c(F)c2F)cc1[N+](=O)[O-] 914802385 XXHIOCDDFMKMJY-UHFFFAOYSA-N 437.342 4.276 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)n1-c1nccs1 915387877 HTMTZWRMXPWLBH-ZDUSSCGKSA-N 439.453 4.427 5 20 IIBD CC(C)Cn1cc(C(=O)N(C)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc21 916993165 FENATRDXSSPHJL-UHFFFAOYSA-N 449.916 4.320 5 20 IIBD Cc1c(OC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)cccc1[N+](=O)[O-] 917049902 CKLNVAYPIVZMHS-UHFFFAOYSA-N 447.285 4.124 5 20 IIBD CCOc1ccc2cc(C(=O)OCc3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])[nH]c2c1 917314535 ZQZRARGQWVLLQK-UHFFFAOYSA-N 436.367 4.442 5 20 IIBD Cc1oc(-c2ccccc2)nc1CC(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 918941895 SKGYHAQCBBCTTD-CQSZACIVSA-N 434.408 4.455 5 20 IIBD O=C(COC(=O)c1ccc(Oc2ccccc2)nc1)Nc1cc([N+](=O)[O-])ccc1Cl 919385357 MLIGHFHCFSGRJG-UHFFFAOYSA-N 427.800 4.231 5 20 IIBD COc1ccccc1-c1csc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2N)n1 1321295066 YEHDLTTXHSZVLA-UHFFFAOYSA-N 449.286 4.324 5 20 IIBD O=[N+]([O-])c1ccc(N2CCOCC2)c(-c2nnc(-c3cc4c(s3)CCCCC4)o2)c1 1322837900 VAFYHGHYPOSDNE-UHFFFAOYSA-N 426.498 4.479 5 20 IIBD O=C(NC1CC1)c1ccc(CN(Cc2ccc([N+](=O)[O-])cc2Br)C2CC2)cc1 1324149951 GFUZJSDSEPKHPC-UHFFFAOYSA-N 444.329 4.414 5 20 IIBD CCCCC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc([N+](=O)[O-])o2)n[nH]1 1814312475 OQZRQANTBLUKIT-ZBFHGGJFSA-N 431.493 4.433 5 20 IIBD CC1(C)CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)n[nH]2)C1 1821168566 NASSFEGIJUXIPK-SFHVURJKSA-N 443.479 4.199 5 20 IIBD O=C(C1CCCC1)N1CCC([C@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1824838038 AMIPJUFBZCKEOC-HSZRJFAPSA-N 441.572 4.337 5 20 IIBD C[C@@H]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1828486235 NJFDHOHCJINCOD-NPFVIJTESA-N 445.535 4.403 5 20 IIBD C[C@@H]1C[C@]1(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1832905293 VHLAHDWHYVETND-VGQNAGHKSA-N 439.556 4.274 5 20 IIBD CC(C)[C@H](C(=O)N1CCCC12CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])C2)c1ccccc1 1841407802 WBXLFBJSYPGOCV-XXFRDUSWSA-N 447.535 4.251 5 20 IIBD CC(C)(C)CCCCCC(=O)N1CCCC12CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C2 1846087101 SHKDDEYFJWUCER-UHFFFAOYSA-N 431.533 4.114 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2sccc2-c2ccc(C)cc2)c([N+](=O)[O-])c1 17897800 HBYHIXINIZKVQM-UHFFFAOYSA-N 426.450 4.436 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1C 18657470 HPAFMBDMKSWUDI-ZDUSSCGKSA-N 441.465 4.219 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@H](C)Sc1ccc(Cl)cc1 21610584 RAIYMIJQZVGUTM-RYUDHWBXSA-N 438.889 4.308 5 20 IIBD CCN(Cc1ccc(OCc2cccs2)c(OC)c1)c1ccc(C(N)=O)cc1[N+](=O)[O-] 22814320 VCRYLTYZLCCORX-UHFFFAOYSA-N 441.509 4.369 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 23156637 KJHRKWUWARMEIK-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD COc1ccc(OC)c(CNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 25823711 GBNRRJKIKJGASB-UHFFFAOYSA-N 430.404 4.039 5 20 IIBD C[C@@H](OC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(=O)N[C@H]1CCOc2ccccc21 26342635 IPSCQCZFCYMNCH-KDOFPFPSSA-N 426.469 4.078 5 20 IIBD CCn1c(S[C@H](C)C(=O)NCc2cccc(OC)c2)nc2cc3ccccc3cc2c1=O 26581079 DNGPIMWILXOBNF-MRXNPFEDSA-N 447.560 4.375 5 20 IIBD COc1ccc([C@@H](NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)C2CC2)cc1 26951125 FCFAVRAEYNTVJC-QFIPXVFZSA-N 434.496 4.346 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)Nc1cc(Cl)ccc1Cl 28612444 KDNHPJCJUIZUHH-UHFFFAOYSA-N 438.267 4.297 5 20 IIBD Cc1ccc(-c2csc(NC(=O)c3nnn(-c4cccc([N+](=O)[O-])c4)c3C)n2)c(C)c1 31881708 PWCKRPYXHMGGAE-UHFFFAOYSA-N 434.481 4.477 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 65124016 HTGDTADKZMHDDA-UHFFFAOYSA-N 437.456 4.016 5 20 IIBD CN1CCC2(CC1)C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1O2 195654108 KFOOLLBAKGAOHF-SFHVURJKSA-N 430.892 4.358 5 20 IIBD Cc1ccc(CN[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] 237803532 CLKHUEHBNPVLDD-JOCHJYFZSA-N 446.475 4.464 5 20 IIBD O=C(Nc1ccc(F)cc1)NC1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 301149342 CJXIERVHCHOVPF-UHFFFAOYSA-N 437.269 4.287 5 20 IIBD O=C(NC1CC1)c1ccc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c([N+](=O)[O-])c1 301160391 RSFFGCDNADDQRA-LJQANCHMSA-N 436.295 4.372 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC1CCN(Cc2ccc(Cl)cc2)CC1 301380857 YYXSUSYOYVMTSY-UHFFFAOYSA-N 430.892 4.281 5 20 IIBD COc1ccccc1CC(=O)N1CCC(Nc2cc(Br)ccc2[N+](=O)[O-])CC1 301976660 DSRRPCRDWSXHLA-UHFFFAOYSA-N 448.317 4.012 5 20 IIBD O=C(c1csc(-c2cccc(Cl)c2)n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 302660151 WEJSIRZLISGPIG-UHFFFAOYSA-N 428.901 4.334 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 303356204 GFKIEJSLTGSGOO-SANMLTNESA-N 444.506 4.266 5 20 IIBD O=C(c1cc(Br)sc1Br)N1CCc2ccc([N+](=O)[O-])cc21 303672672 PNSHAFQDWJOMDU-UHFFFAOYSA-N 432.093 4.384 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C(=O)O)[C@H](c2ccc(Cl)cc2)C1 427754477 GLGCNBYCMMOYMT-UYHISHBKSA-N 434.901 4.056 5 20 IIBD CCOC(=O)[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(OC)c(F)c1 428374831 RCNQZEQPQMUUBB-NRFANRHFSA-N 428.416 4.397 5 20 IIBD Cc1ccccc1[C@@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)C1CC1 430327842 XVDORNKJVBZQOZ-SFHVURJKSA-N 446.301 4.180 5 20 IIBD C[S@@](=O)Cc1cc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)ccc1Cl 431467179 YPFNNOSLGBBKLA-XMMPIXPASA-N 431.695 4.142 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 435391867 YEUKCFFBXSKCPU-GFCCVEGCSA-N 428.436 4.278 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)[C@H]1CCCN(C(=O)C2CC2)C1 435443277 NCLLCOHJAQDTBW-AWEZNQCLSA-N 431.539 4.395 5 20 IIBD CC[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)c1ccncc1 435831816 VVDSNKRZVUAUCI-HNNXBMFYSA-N 442.522 4.409 5 20 IIBD CS(=O)(=O)CCc1ccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1 437494718 ITWVRBZTPDAFEM-UHFFFAOYSA-N 439.493 4.178 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1CC[C@H]([C@H]2CCOC2)C1 441657581 JPCQIFWLCHYYGS-FIKGOQFSSA-N 429.904 4.286 5 20 IIBD C[C@H]1C[C@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CN1Cc1ccccc1 444222257 FMWZJZWSXSHBTM-KXBFYZLASA-N 447.485 4.352 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1nc(-c2ccc(-c3nnco3)cc2)no1 445389216 BRWJNRVLXYXJBP-UHFFFAOYSA-N 446.345 4.368 5 20 IIBD CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)CCc1cccc([N+](=O)[O-])c1 445666183 MWGSVFJKUXGYHA-UHFFFAOYSA-N 428.876 4.268 5 20 IIBD Cc1[nH]c2ccccc2c1C1CCN(C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 446900024 MFVDUJAIMYAUPE-UHFFFAOYSA-N 432.484 4.350 5 20 IIBD COCCN(C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])[C@@H]1CCCSC1 448531718 JPJRGPXYFZIFQS-GOSISDBHSA-N 430.526 4.158 5 20 IIBD O=C(Nc1nnc(Cc2cccc(Cl)c2)s1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 464349559 ABXKSNZFLCGGMY-UHFFFAOYSA-N 441.856 4.197 5 20 IIBD C[C@H](C(=O)Nc1nc2ccccc2s1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464772865 HGUVBHGMSHUNPU-CQSZACIVSA-N 426.498 4.075 5 20 IIBD CCOC(=O)c1cc(N(C)CC(=O)Nc2c(Cl)cccc2Cl)ccc1[N+](=O)[O-] 467737070 GTPMMERXPPMETN-UHFFFAOYSA-N 426.256 4.153 5 20 IIBD COc1cc(S(=O)(=O)N(C)[C@H](C)c2sc(-c3ccccc3)nc2C)ccc1[N+](=O)[O-] 468820144 DEQUGQPNZGVGLC-CQSZACIVSA-N 447.538 4.417 5 20 IIBD O=C(NC1(c2cccc(Cl)c2)CCCC1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 469608510 FNFJHXPJZCXCSA-UHFFFAOYSA-N 441.871 4.101 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 470602002 NHBGGLUIDVIRFD-AUUYWEPGSA-N 449.429 4.486 5 20 IIBD CCOC(=O)C1(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)CC1 472285587 XKWMUSAAPGOERQ-UHFFFAOYSA-N 448.859 4.122 5 20 IIBD CCc1ccc(-c2noc([C@H](C)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1 472366595 FGJNICLENVJTED-HNNXBMFYSA-N 435.484 4.298 5 20 IIBD O=C(NCc1ccc(Sc2ccccc2)cc1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 472628770 JOSKWGUTMVBPPY-UHFFFAOYSA-N 425.441 4.140 5 20 IIBD CCC[C@](C)(NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C(=O)OC 478130125 CUUAFUUUSBQUTF-NRFANRHFSA-N 433.892 4.322 5 20 IIBD O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N(Cc1cc(Br)ccc1F)C1CC1 479862628 LFMFFIUJPHQRCQ-UHFFFAOYSA-N 433.237 4.178 5 20 IIBD CCn1c(Sc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])nnc1-c1cccs1 480441469 CAVMALBBWDQDFF-UHFFFAOYSA-N 440.510 4.050 5 20 IIBD COc1cc(I)c(Cl)cc1CNCc1ccc([N+](=O)[O-])cc1 481737901 KEXKXVRJPAZMRS-UHFFFAOYSA-N 432.645 4.151 5 20 IIBD O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 486087402 JXVAXUIKGLTLPZ-WMZHIEFXSA-N 435.524 4.263 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(Cc2ccccc2Cl)CC1 486251859 OXHXJLIIDXJUFC-OAHLLOKOSA-N 427.892 4.177 5 20 IIBD COc1ccc([C@@H]2CCCN2c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)c(OC)c1 486418893 WAQMGSBOWJXVDJ-FQEVSTJZSA-N 425.485 4.190 5 20 IIBD COC(=O)c1cc(NC(=O)Nc2ccc(NC[C@H]3CCCO3)c(F)c2)c(C)c([N+](=O)[O-])c1 486900437 ZWBIGLSHCRUQFY-OAHLLOKOSA-N 446.435 4.064 5 20 IIBD CNC(=O)c1cc(Oc2cccc(Nc3ncc([N+](=O)[O-])cc3Br)c2)ccn1 488710440 DUVPBJVADJDFQK-UHFFFAOYSA-N 444.245 4.043 5 20 IIBD Cc1c(NC(=O)[C@@H](C)Sc2nnc(-c3cccc(Cl)c3)n2C)cccc1[N+](=O)[O-] 488903075 WXFBKDURQYVOKE-GFCCVEGCSA-N 431.905 4.471 5 20 IIBD Cc1cnn(-c2c(C(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)c(C)nn2C)c1 488990398 ZACZFIDBDJRKJJ-UHFFFAOYSA-N 432.440 4.175 5 20 IIBD COc1ccc([C@H](CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)N2CCCC2)cc1 489109772 PYAZUGIZMWXRKI-QHCPKHFHSA-N 438.528 4.115 5 20 IIBD O=C(NCCc1cccc(C(F)(F)F)n1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 489318736 ZIJBNYNWSLAJKA-UHFFFAOYSA-N 447.363 4.346 5 20 IIBD CCCN(Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 490545117 NGDLYECEYPDOIE-XMCHAPAWSA-N 428.476 4.273 5 20 IIBD COc1ccccc1COC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 490634750 DZCUHTVBBXWTTI-UHFFFAOYSA-N 436.411 4.026 5 20 IIBD CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 498139329 UGGPTYNICRSNCV-UHFFFAOYSA-N 429.480 4.248 5 20 IIBD COc1cccc(C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)c1 500715960 KZNMEOCKLNUGSY-UHFFFAOYSA-N 437.521 4.290 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3nc([C@@H]4CN(Cc5ccccc5)CCO4)no3)cs2)cc1 500806932 QLDYOXNACZVIJF-IBGZPJMESA-N 449.492 4.342 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCC(CCCN2CCCC2)CC1 500874665 IRQXGDYEMNGVCT-UHFFFAOYSA-N 443.466 4.264 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2nnc(C(F)(F)F)s2)cc1[N+](=O)[O-])c1ccccn1 506911476 QYLNMOPINSUIEV-VIFPVBQESA-N 438.391 4.286 5 20 IIBD Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 506921348 ILIXUXHRTZULKD-IRXDYDNUSA-N 435.402 4.313 5 20 IIBD Cc1cccc(C)c1OCCCNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 508340896 TUYQULFKWYMELA-UHFFFAOYSA-N 436.512 4.272 5 20 IIBD CC(C)(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 510273175 ZNLOZLVHHRGNCL-UHFFFAOYSA-N 435.427 4.210 5 20 IIBD O=C(CN[C@@H](c1cccc2ccccc12)C(F)(F)F)Nc1cc2c(cc1[N+](=O)[O-])OCO2 510423600 GCRZIMZZUNQPGV-FQEVSTJZSA-N 447.369 4.308 5 20 IIBD COc1cc(CN2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c([N+](=O)[O-])cc1OC(F)F 511781343 MSDSVUVBIARYEI-KZNAEPCWSA-N 434.439 4.209 5 20 IIBD C[C@@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)N1CCCCC1 513529142 SZDXIDLZJBKPFF-CQSZACIVSA-N 431.876 4.171 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@H](c1ccccc1)c1cc2ccccc2o1 515339442 NYQISKBERMPOIN-XMMPIXPASA-N 443.459 4.367 5 20 IIBD COc1ccc2c(c1)C1(CC1)CN(C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C2 516519388 ZQLTVMJKUHAEKO-UHFFFAOYSA-N 436.386 4.232 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCCc2ccc(F)cc2F)cc1[N+](=O)[O-])c1ccccn1 516593243 FAUPKMBGEUYJEB-CQSZACIVSA-N 426.423 4.414 5 20 IIBD CNc1ccc(C(=O)N[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1[N+](=O)[O-] 518267413 VSWZHPWJGOZQSS-HXUWFJFHSA-N 433.443 4.297 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)c1 520222169 AQAAZHRZMIKQBU-UHFFFAOYSA-N 426.816 4.156 5 20 IIBD CCOCCCN1CC[C@H](Nc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])[C@H](C)C1 520449307 CSSIWTXHBKKVIO-NQIIRXRSSA-N 425.529 4.375 5 20 IIBD COc1cccc(CN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C2CCC(O)CC2)c1 523014717 FMMWTQGEWNABJC-YLZJTPGZSA-N 427.501 4.180 5 20 IIBD CCCNC(=O)c1ccc(NC(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])cc1Cl 523560101 JQIDJZDPGDYYQR-UHFFFAOYSA-N 447.923 4.320 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] 523773368 SGNLUQNVSHRUNI-UHFFFAOYSA-N 441.296 4.256 5 20 IIBD CCc1oc2ccccc2c1CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 523952911 SPUMLEJRPKLBAT-OAQYLSRUSA-N 449.507 4.475 5 20 IIBD CC(C)N(C[C@@H](O)COc1cccc2ccccc12)C(=O)NCc1cccc([N+](=O)[O-])c1 524590869 UAQVMPHNNHGIGJ-OAQYLSRUSA-N 437.496 4.108 5 20 IIBD Cc1csc(-c2cccc(NC(=O)C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)c2)n1 524807601 MIJLHSLHMLHTMQ-UHFFFAOYSA-N 438.509 4.104 5 20 IIBD COc1cc(C(=O)NCc2ccc(OC(C)C)cc2C(F)(F)F)cc([N+](=O)[O-])c1OC 525034390 BLDSZMYAFUOOBE-UHFFFAOYSA-N 442.390 4.348 5 20 IIBD C[C@H](N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccncc2)cc1 532228652 DWVNHORWVCQTDN-SJORKVTESA-N 447.495 4.310 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 533276109 ZLZXYWGNMSIRGU-VOJFVSQTSA-N 442.274 4.441 5 20 IIBD COc1cccc(CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C2CCC(O)CC2)c1 533301142 IBSFWZBWPMQPQK-UHFFFAOYSA-N 441.528 4.046 5 20 IIBD Cn1cnnc1Sc1ccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1Cl 535409521 CLJISOBJFBAMIV-UHFFFAOYSA-N 442.888 4.190 5 20 IIBD CSc1ccc(C)c(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)c1 537314228 KBJKGKIEIJZZEY-UHFFFAOYSA-N 428.251 4.482 5 20 IIBD COc1cc([C@@H](C)NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)ccc1OC1CCCC1 538151665 ULGYNOSQVWNEMW-MRXNPFEDSA-N 439.512 4.165 5 20 IIBD NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 538510273 XLPGDRRRUFYYTB-GJZGRUSLSA-N 429.420 4.009 5 20 IIBD COC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 539004600 GXUASZZPLHYSMY-LPXYKDPNSA-N 440.500 4.015 5 20 IIBD C[C@H](NC[C@@H](O)COc1ccc(Cl)cc1Br)c1cccc([N+](=O)[O-])c1 539281264 SGAOSFYFEGSNQH-XHDPSFHLSA-N 429.698 4.101 5 20 IIBD CCCCn1cc(CNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])c(C)n1 540204895 LBLLHUFYPIRKSX-UHFFFAOYSA-N 443.529 4.313 5 20 IIBD CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 541128412 ZFBDYFXYZHDZEF-UHFFFAOYSA-N 446.403 4.057 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCc2c(Br)ccc(F)c2C1 541638654 HOKCTPSFCMYVEP-UHFFFAOYSA-N 432.249 4.105 5 20 IIBD COc1ccc(CCc2nc3ccccc3n2C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 543119502 LCMKZBPJBPDJOT-IBGZPJMESA-N 447.491 4.178 5 20 IIBD Cc1cc(-c2nc(C3CC3)no2)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C 543166384 RCVBKNTXPOFQIU-UHFFFAOYSA-N 428.470 4.248 5 20 IIBD COc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] 543886118 WARAFDKWXASDST-UHFFFAOYSA-N 440.422 4.218 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](c1ccccc1)c1nc2ccccc2n1C 544336758 NNSUZYKUULLTRT-QFIPXVFZSA-N 445.479 4.079 5 20 IIBD O=[N+]([O-])c1ccccc1/C=C/c1nc(CS(=O)(=O)c2cc(Cl)ccc2Cl)no1 545529618 XXGVQRRVWMECFI-VMPITWQZSA-N 440.264 4.429 5 20 IIBD O=[N+]([O-])c1cccc(CCc2nc(-c3cc(C(F)(F)F)ccc3-n3cncn3)no2)c1 545765390 RCOHAQBTSQXCNN-UHFFFAOYSA-N 430.346 4.030 5 20 IIBD CCOc1ccc(-c2nc(NS(=O)(=O)Cc3ccccc3[N+](=O)[O-])sc2C)cc1 546145392 SFZGIDDWPMXLCG-UHFFFAOYSA-N 433.511 4.367 5 20 IIBD Cc1c(-c2nc(CSc3ccc(Cl)cc3)no2)nnn1-c1cccc([N+](=O)[O-])c1 546235512 BMQBPTAPFAWOAV-UHFFFAOYSA-N 428.861 4.480 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc(N3CCOCC3)cc2)no1 546412660 GVQZQCKOIFORBT-ZDUSSCGKSA-N 430.848 4.275 5 20 IIBD Cc1cc(NC(=O)c2cccc(F)c2)sc1-c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 546487305 LZPUZMDPBQQISJ-UHFFFAOYSA-N 439.428 4.392 5 20 IIBD CC[C@@H](C)c1nnc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1Cc1cccs1 549569252 KEOFPASGSOGXPP-MRXNPFEDSA-N 426.546 4.136 5 20 IIBD COc1ccc(CN(Cc2ccccc2)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)cc1 554018664 JECQDSUHHVWBHE-UHFFFAOYSA-N 435.480 4.394 5 20 IIBD CC(C)Cc1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1C[C@H]1CCCCO1 555482667 SWEWJJNNQMVQAV-OAQYLSRUSA-N 443.548 4.002 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1cccs1)Cc1cccs1 558531358 FASZPYFDWDKETR-UHFFFAOYSA-N 429.523 4.448 5 20 IIBD Cc1sc2nc(SCc3coc(-c4ccc([N+](=O)[O-])cc4)n3)n(C)c(=O)c2c1C 559929880 REOMGMSWKMGSHT-UHFFFAOYSA-N 428.495 4.467 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc(COc2cccc(I)c2)n1 567145899 IBNICAHEHKNCGU-UHFFFAOYSA-N 437.193 4.137 5 20 IIBD NS(=O)(=O)c1c(N[C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] 571309410 HIRCVBDWEARCQL-KGLIPLIRSA-N 429.420 4.009 5 20 IIBD Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)cnn1-c1ccc(Cl)cc1 579995470 MRURLXFLNYBEAT-UHFFFAOYSA-N 443.872 4.091 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(=O)N[C@@H]1CCCC1(F)F 588741547 KFCADAQBHQVLLN-CYBMUJFWSA-N 427.454 4.050 5 20 IIBD CN1CCC(N(C[C@@H]2C[C@H]3C=C[C@H]2C3)C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 589623324 XBAJXESGKBBRRT-ZOBUZTSGSA-N 437.462 4.362 5 20 IIBD C[C@@H](NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc(F)c(Br)c1 590193340 NPDMPGJWQRKIJX-LLVKDONJSA-N 438.253 4.145 5 20 IIBD COc1ccc([C@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2)cc1 603491768 FWZSWGRGRFXPGU-HXUWFJFHSA-N 432.885 4.325 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 603674515 JDQQFBVFWAMCAF-UHFFFAOYSA-N 431.427 4.330 5 20 IIBD C[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1cccc([N+](=O)[O-])c1 604107929 HVCACSUTVSBTMH-CQSZACIVSA-N 443.456 4.026 5 20 IIBD Cc1ccc(CN(CCc2ccccc2)C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)s1 604163361 VZCPGGFNDYNDQF-UHFFFAOYSA-N 437.521 4.483 5 20 IIBD COc1ccc(NC(=O)CCN(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 604520801 RIBSAIXIUPZGFG-FDDCHVKYSA-N 427.501 4.032 5 20 IIBD CCc1sc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)nc1-c1ccc(OC)cc1 609202835 XVXUFESPRVDIAM-UHFFFAOYSA-N 441.465 4.313 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 609309426 CVWCZXBPYLCRSF-KRWDZBQOSA-N 429.231 4.020 5 20 IIBD Cc1c(C(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)nnn1-c1cccc([N+](=O)[O-])c1 609381449 KNPYGODEIRCPBN-OAQYLSRUSA-N 430.468 4.333 5 20 IIBD CC(C)c1ccc(CCCNC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 609726739 YZBVMYWMIZZUGD-UHFFFAOYSA-N 439.541 4.361 5 20 IIBD O=C(N[C@H](COc1ccccc1)c1ccccc1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609762496 WZJHZQVGGYBVQP-JOCHJYFZSA-N 429.432 4.399 5 20 IIBD O=[N+]([O-])c1cccc(-n2nc(-c3ccco3)cc2NS(=O)(=O)c2c(F)cccc2F)c1 609831210 JEJDHVFGOFZSNT-UHFFFAOYSA-N 446.391 4.120 5 20 IIBD CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 609859927 WAERBOLDGNBJEW-UHFFFAOYSA-N 429.826 4.471 5 20 IIBD Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C1 609976587 YKGXOJMKNFPNCE-DOTOQJQBSA-N 437.525 4.201 5 20 IIBD CC(C)N(Cc1nc(O)c2ccccc2n1)C(=O)c1ccc([N+](=O)[O-])cc1Br 610036807 OGKKUUVCDMLMBH-UHFFFAOYSA-N 445.273 4.057 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)C(=O)NCc1ccccc1 611201826 NLJKYNNYDRFDQW-OAHLLOKOSA-N 427.526 4.064 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCc2ccc(S(C)(=O)=O)cc21 611469013 AZJYHFSRHYNCEG-UHFFFAOYSA-N 448.566 4.484 5 20 IIBD Cc1nn(CCC(=O)OCc2cn(-c3ccccc3)nc2-c2ccccc2)c(C)c1[N+](=O)[O-] 726499865 NJNORDGHMWWMDC-UHFFFAOYSA-N 445.479 4.394 5 20 IIBD CC(C)(CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 727231253 FEMGGBUKKKSXDZ-UHFFFAOYSA-N 443.809 4.300 5 20 IIBD O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCC1(c2ccccc2Cl)CCOCC1 729987991 YCSVBJNNWJXACJ-UHFFFAOYSA-N 429.904 4.301 5 20 IIBD CC(C)Oc1ccc(Cl)cc1C(=O)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 735344576 IUAQYLLWFOBUIH-UHFFFAOYSA-N 434.832 4.190 5 20 IIBD Cc1c(Cl)cccc1OCC(=O)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C 735992593 AWUWSDBIAKVBPB-UHFFFAOYSA-N 444.875 4.423 5 20 IIBD Cc1cc2c(cc1C)O[C@@H](C(=O)Oc1ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc1)C2 742497111 OWIYTQXFTDTWLH-JOCHJYFZSA-N 432.432 4.373 5 20 IIBD O=C(OCc1nc(CC(F)(F)F)no1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 744562373 ZEWWFPKATCOCDI-UHFFFAOYSA-N 436.346 4.052 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1NC(=O)CC(C)C 745297165 YRWFGEJBNMDIBJ-UHFFFAOYSA-N 447.875 4.337 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 746262623 IZYSCAOGYKIAFK-KSSFIOAISA-N 437.265 4.225 5 20 IIBD CC(C)(C)OC(=O)NC(C)(C)C(C)(C)C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 748145942 MZBYWLZOVBLTNC-UHFFFAOYSA-N 448.476 4.018 5 20 IIBD CCCOc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1OC 748620075 JJTCLKHLUOUBCF-CQSZACIVSA-N 431.445 4.408 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(-c3cscn3)cc2)cc1Br 749298708 WRECCDQFHQBLGH-UHFFFAOYSA-N 441.284 4.249 5 20 IIBD C[C@H](C(=O)Nc1ccccc1Cl)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 750617965 ZHPHKLQAHLLSOD-LLVKDONJSA-N 438.709 4.396 5 20 IIBD Cn1cccc1C(=O)N1CCCC[C@@H]1CCOC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 750645729 OQBFTXJDXYHVAE-GOSISDBHSA-N 441.528 4.473 5 20 IIBD C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1ccc2nc(O)[nH]c2c1 750841530 GQULPPYDYUZIRO-SSDOTTSWSA-N 439.653 4.084 5 20 IIBD C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 751946622 LEWPHPTVQMUDDI-WDEREUQCSA-N 448.398 4.261 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2Br)cn1 753819796 XZBVDJMSVJVHDL-UHFFFAOYSA-N 437.250 4.352 5 20 IIBD C[C@H](C(=O)N(C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1F 754157952 BLLQSCUKVGTXGS-AWEZNQCLSA-N 435.496 4.228 5 20 IIBD CC(C)NC(=O)Nc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1 754979754 ZWUIHCOJBSYCCZ-UHFFFAOYSA-N 439.241 4.279 5 20 IIBD CCOc1cc(COC(=O)c2cnc3ncc(Br)cc3c2)ccc1[N+](=O)[O-] 755567719 JSJWDMINPDHWOO-UHFFFAOYSA-N 432.230 4.056 5 20 IIBD CC[C@@H](NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccc(C)cc1)n1cncn1 756266437 AKACPECLIIMOMW-IEBWSBKVSA-N 428.880 4.338 5 20 IIBD C[C@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F)[C@@H](C)NC(=O)OC(C)(C)C 756652598 OMFSKNILXCJUEQ-QWHCGFSZSA-N 433.427 4.035 5 20 IIBD C/C(=C\c1ccccc1)CN(C)C(=O)c1ccc(I)c([N+](=O)[O-])c1 756772727 FACXGXFIQUKFAD-JLHYYAGUSA-N 436.249 4.375 5 20 IIBD CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1cccc([N+](=O)[O-])c1Br 758341596 KVYIEUUTZXTSNE-SFHVURJKSA-N 444.326 4.027 5 20 IIBD O=C(O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 759932764 NNZFGYAYDMBYJB-CVEARBPZSA-N 443.441 4.164 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 761488831 BJSCAZXRGUZRBY-QGZVFWFLSA-N 446.459 4.420 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 762472839 AVGRQJIERHSTMH-JOCHJYFZSA-N 437.512 4.165 5 20 IIBD CN1C(=O)C[C@@H](COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[C@H]1c1cccc(Cl)c1 763016443 ZGIIXZSSEMHULQ-VBKZILBWSA-N 448.878 4.428 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(NCc2cccc(NC(=O)c3ccccn3)c2)cc1Cl 765470629 LTXPTXDIIJEJIF-UHFFFAOYSA-N 440.843 4.294 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])c2cccnc12)Nc1ccccc1SC(F)F 766225329 LSRUHMXVMJMFEW-UHFFFAOYSA-N 433.392 4.253 5 20 IIBD COc1ccc(NC(=O)N(CCNC(=O)OC(C)(C)C)Cc2ccccc2)cc1[N+](=O)[O-] 767884881 VLLYQKKLYJGFSY-UHFFFAOYSA-N 444.488 4.162 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Oc1ccc(C2CCC2)cc1 768034590 UPXPSUNAWFEHMS-HXUWFJFHSA-N 428.510 4.319 5 20 IIBD CN(c1ccccc1)c1ccc(CN2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)cc1[N+](=O)[O-] 770392201 RTZPXONJCNLXLU-ZJSXRUAMSA-N 435.528 4.184 5 20 IIBD C[C@H](Nc1ccc(C(=O)OCc2ncn(-c3ccccc3)n2)cc1[N+](=O)[O-])c1ccccn1 770962785 UQGCDGQDYNIAIN-INIZCTEOSA-N 444.451 4.101 5 20 IIBD C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 772202803 UJQADLQUYHPSLQ-ZFWWWQNUSA-N 446.529 4.236 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCc2cccc(NC(=O)OC(C)(C)C)c21 775767913 URLZVWUOMOXWID-UHFFFAOYSA-N 426.473 4.251 5 20 IIBD CO[C@@H]1[C@@H](C)[C@@H](NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1(C)C 775979468 WPTQZLFJIAGBNK-GESALYCCSA-N 445.903 4.290 5 20 IIBD CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@@H](O)c1ccc([N+](=O)[O-])cc1 776278227 SFOFPDZUEZNQRY-QGZVFWFLSA-N 434.905 4.264 5 20 IIBD O=C(COC(=O)c1coc(-c2ccccc2Cl)n1)Nc1cc([N+](=O)[O-])ccc1Cl 776445332 VJDRFPFYEHULCW-UHFFFAOYSA-N 436.207 4.352 5 20 IIBD COc1cc(CN2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])cc1OC 779596856 OCJJQRIJVIDNGF-UHFFFAOYSA-N 437.537 4.081 5 20 IIBD CCc1ccc(NC(=O)COC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1 781259421 JLEUCTGYNGFGQB-UHFFFAOYSA-N 436.414 4.317 5 20 IIBD Cc1c(C)n(C[C@@H]2CCCO2)c2ncnc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)c12 782574091 CZKFWABVMPUNSC-AWEZNQCLSA-N 429.864 4.041 5 20 IIBD CCCN(Cc1ccc(C)cc1)C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br 784647383 QUTKBCOQQZLZAV-UHFFFAOYSA-N 448.317 4.351 5 20 IIBD O=C(Nc1cccc(NC(=O)C2CCCCC2)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 785151114 AITOBMTVVBLZSA-UHFFFAOYSA-N 444.875 4.344 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)NC(=O)C[C@@H](C)c2c[nH]c3ccccc23)cc1[N+](=O)[O-] 786271957 GDRILABCFGSTFC-LLVKDONJSA-N 435.889 4.037 5 20 IIBD C[C@@H]1CN(c2ccc(NC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])cc2F)C[C@@H](C)O1 790540300 WXTOAOYBLRHIME-VXGBXAGGSA-N 439.846 4.321 5 20 IIBD CC(C)C[C@H]1C[C@@H](NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCO1 790812939 ITTSGSBGFMGZIF-KBPBESRZSA-N 440.338 4.019 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)N2CCOC[C@@H]2c2c(C)nn(-c3ccccc3)c2C)c1F 790925302 FEQNTTHASBJWMR-HXUWFJFHSA-N 438.459 4.059 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCCN(c2nc3ccccc3s2)C1 791727945 CXKBNWBGNTVBKR-CYBMUJFWSA-N 442.453 4.073 5 20 IIBD Cc1oc(C(C)C)nc1C(=O)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 795361804 YUUXADFSXXUSOC-KRWDZBQOSA-N 429.473 4.256 5 20 IIBD COc1ccc(COC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(C)cc2)cc1[N+](=O)[O-] 797513740 PWDCVANBMKIRSD-LJQANCHMSA-N 430.457 4.221 5 20 IIBD Cc1sc(NC(=O)c2cc([N+](=O)[O-])ccc2F)nc1-c1ccc2c(c1)CCC(=O)N2 798660592 SAMKXGMCGUIQGM-UHFFFAOYSA-N 426.429 4.303 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCOc2c(Br)cccc21 799442053 VOAVLUGXQQJMOP-UHFFFAOYSA-N 429.629 4.118 5 20 IIBD O=C(COC(=O)c1ncccc1Oc1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 799562688 CAAPUXBLTCIGEC-UHFFFAOYSA-N 427.800 4.231 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)CC(C)(C)CC(=O)c2ccccc2)cccc1[N+](=O)[O-] 799568428 MPUSEAQQCXQPDC-INIZCTEOSA-N 426.469 4.463 5 20 IIBD CC(C)Cn1ccc2c(-c3nc(CC(=O)NCc4ccc([N+](=O)[O-])cc4)no3)cccc21 809483629 FRVLXMSWVWEQGX-UHFFFAOYSA-N 433.468 4.114 5 20 IIBD O=C(NC1(c2noc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)n2)CCC1)c1ccccc1 809506150 MHNRNOXGXBWGHV-UHFFFAOYSA-N 433.468 4.054 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C(C)(C)C1 809920433 ZCSQDKACRKEOSM-AWEZNQCLSA-N 426.901 4.405 5 20 IIBD CC(C)(C)OC(=O)N1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])c2ccccc21 813278153 BGYWEUNXMQMOJH-UHFFFAOYSA-N 426.473 4.185 5 20 IIBD C[C@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C 813462182 RQDRAJXVQIAGJD-IINYFYTJSA-N 432.304 4.277 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Oc2cccc(Cl)c2[N+](=O)[O-])c(Cl)cc1Cl 815057375 PIGQMNIHABGJMO-UHFFFAOYSA-N 427.605 4.231 5 20 IIBD CC(=O)Nc1cccc(NC(=O)[C@@H](OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C(C)C)c1 877029608 IMVWROMPFAELBB-SFHVURJKSA-N 433.848 4.027 5 20 IIBD COc1cc([C@H](C)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)ccc1OCC(C)C 914868708 PLZHDRYVQXJYAQ-AWEZNQCLSA-N 431.445 4.346 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)Nc2cccc(F)c2)cc1 915250186 QUSFOBRIYWAYGH-UHFFFAOYSA-N 440.383 4.330 5 20 IIBD COc1c([N+](=O)[O-])cc(NC[C@@H](C)N(C)c2ccccc2)c([N+](=O)[O-])c1Br 917067683 UAKPZJJTDDKGMV-LLVKDONJSA-N 439.266 4.211 5 20 IIBD C[C@@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1 917329543 JAGVCABCVYDQEM-SNVBAGLBSA-N 437.330 4.159 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cc2c(OC(F)(F)F)cccc2[nH]1 1115881633 APIWPPBKESIGPR-UHFFFAOYSA-N 448.313 4.382 5 20 IIBD C[C@H](OC(=O)c1nc(-c2ccccc2)oc1C1CC1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 1115898469 UYUGWNDLGGNFEU-LBPRGKRZSA-N 439.399 4.450 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCO[C@H](c3ccc(Cl)s3)C2)c(C)c([N+](=O)[O-])c1 1116756428 LRBRAEMIWXGWNV-AWEZNQCLSA-N 439.877 4.010 5 20 IIBD CC(C)(C)OC(=O)N1CCc2c(cccc2NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 1252228934 MXLCRBXIXIPLMC-UHFFFAOYSA-N 438.484 4.436 5 20 IIBD O=[N+]([O-])c1ccccc1OCc1nnc(COc2ccccc2OCC(F)(F)F)o1 1257769900 VIRGBKBKRXIZMT-UHFFFAOYSA-N 425.319 4.077 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)CC1 1320657833 LBRZRJOZEZWNQW-UHFFFAOYSA-N 446.548 4.037 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2-c2nnc(C3CCN(c4ncccn4)CC3)o2)CC1 1322515632 MUASWRQGCHAEOV-UHFFFAOYSA-N 449.515 4.055 5 20 IIBD O=C(NC1(c2ccc(NC(=O)C34CC(F)(C3)C4)cc2)CCC1)c1cccc(F)c1[N+](=O)[O-] 1786424514 DBKNWMFBZJXOLT-UHFFFAOYSA-N 441.434 4.374 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)NC1(c2ccc(NC(=O)[C@@H]3CC3(F)F)cc2)CCC1 1789130124 UJVWUXXLGFBGEX-IBGZPJMESA-N 443.450 4.317 5 20 IIBD CC(C)O[C@H](C)C(=O)Nc1ccc(C2(NC(=O)Cc3cccc([N+](=O)[O-])c3)CCC2)cc1 1789592659 SLBORERASHQILO-QGZVFWFLSA-N 439.512 4.085 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)Nc1ccc(C2(NC(=O)C(C)(C)C)CCC2)cc1 1790805940 QTHPTPPPZSIYPC-UHFFFAOYSA-N 425.485 4.403 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCCC2(CCN(C(=O)c3ccc(Cl)cc3F)CC2)C1 1804642080 OIRIHRXQLZIVNU-UHFFFAOYSA-N 449.866 4.139 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CC=CCC2)[nH]n1)c1ccc([N+](=O)[O-])cc1F 1821051575 BNKJWWMUHPPJCI-IFXJQAMLSA-N 441.463 4.119 5 20 IIBD CC(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)CC1 1830293386 ZWFGNQMLKPMFCQ-QFIPXVFZSA-N 441.572 4.292 5 20 IIBD Cc1ccc(C(=O)N2CCCC23CN(C(=O)c2c(F)ccc([N+](=O)[O-])c2C)C3)cc1Cl 1841150860 YRYGFPOSHCNLIE-UHFFFAOYSA-N 445.878 4.135 5 20 IIBD CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc([N+](=O)[O-])cc1Cl 15648354 BVJOLFUVRNTBEU-UHFFFAOYSA-N 429.782 4.156 5 20 IIBD C[C@H](Sc1nnc(NCc2ccc(F)cc2)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1 16335568 SPJSFMRBMPGGPT-NSHDSACASA-N 433.490 4.317 5 20 IIBD C[C@@H](OC(=O)[C@@H]1COc2ccc(Cl)cc2C1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 16797204 ZBSQAZNKLTUXKF-RISCZKNCSA-N 429.816 4.154 5 20 IIBD NC(=O)c1ccc(COC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1 16816788 HVCQEMIXKMOYTJ-UHFFFAOYSA-N 426.812 4.496 5 20 IIBD CC(=O)c1ccc(NC(=S)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)cc1 18142997 UMLAHXSKVWXICK-UHFFFAOYSA-N 439.497 4.455 5 20 IIBD O=C(COC(=O)c1cc2c(OC(F)F)cccc2[nH]1)Nc1ccc([N+](=O)[O-])cc1Cl 25656564 XXKHFBXFVNSHMK-UHFFFAOYSA-N 439.758 4.126 5 20 IIBD C[C@@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 71970328 NITXIHHXYRYDGA-ZDUSSCGKSA-N 439.331 4.347 5 20 IIBD COc1cc([N+](=O)[O-])ccc1OCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 72068051 QYHHVBQDNWSLPQ-HNNXBMFYSA-N 427.438 4.015 5 20 IIBD CCOc1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c([N+](=O)[O-])cc1OC 104957210 RBLRFVFTUFUFMR-UHFFFAOYSA-N 444.425 4.286 5 20 IIBD Cc1cc(NC(=O)c2cnn(Cc3ccccc3Cl)c2)n(-c2ccc([N+](=O)[O-])cc2)n1 105511501 LOXUHROYBVXFPT-UHFFFAOYSA-N 436.859 4.239 5 20 IIBD C[C@@H](OC(=O)c1[nH]c2ccccc2c1Br)C(=O)Nc1ccccc1[N+](=O)[O-] 107537043 VLRYNQCNLQYIHM-SNVBAGLBSA-N 432.230 4.023 5 20 IIBD Cc1cc([C@H](C)NC(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)o1 109307410 DMFKCQYNXQNXBX-AWEZNQCLSA-N 443.481 4.096 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)Sc3ccccc32)cc1OC 115360773 MDPHIZZXQMJAMY-CQSZACIVSA-N 432.498 4.160 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)CCSc1ccc(Br)cc1 195628116 RFSNFUGKVRHJIT-UHFFFAOYSA-N 425.304 4.165 5 20 IIBD CNS(=O)(=O)c1cccc([C@@H](C)NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c1 237398154 ICUPLCILNXNJBP-CQSZACIVSA-N 431.539 4.082 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CNCc3cc4c(cc3OC(F)F)OCO4)cs2)c1 237859109 PSUJVWKVWMKVDX-UHFFFAOYSA-N 435.408 4.338 5 20 IIBD CN1CCC(N(Cc2ccccc2Br)C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 426802663 ZLOODIHRCSDVKN-UHFFFAOYSA-N 446.345 4.023 5 20 IIBD CC[C@@H](Nc1ccc(C(C)=O)cc1[N+](=O)[O-])c1ccccc1OCC(=O)N1CCCC1 426907666 SOURVIYTCQIGDM-LJQANCHMSA-N 425.485 4.362 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCC[C@H](Oc2ncccc2F)C1 427437731 YNQBVAPSOJAXQD-AWEZNQCLSA-N 435.430 4.038 5 20 IIBD CN(C)[C@H]1CCCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 429553836 QKZJJNAEFJCAIP-LAUBAEHRSA-N 430.936 4.344 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)cc1 430033383 GLIWMHHLFIFKKX-QGZVFWFLSA-N 443.294 4.163 5 20 IIBD CN(Cc1c(F)cccc1Cl)C(=O)COc1c(Br)cccc1[N+](=O)[O-] 431233013 DFYNCBRQRLKBIF-UHFFFAOYSA-N 431.645 4.187 5 20 IIBD Cc1ccc(CCC2CCN(C(=O)c3ccc(N4C(=O)CCC4=O)c([N+](=O)[O-])c3)CC2)cc1 431513257 KFZDQEARPXBFKK-UHFFFAOYSA-N 449.507 4.042 5 20 IIBD CCc1ccc([C@H](c2cccnc2)N(CC)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 431911097 XHAHNHHMKJSYQR-JOCHJYFZSA-N 425.510 4.352 5 20 IIBD CN(CCSCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)Cc1ccccc1 433018561 DZRKLRYKEVCMTQ-UHFFFAOYSA-N 427.448 4.417 5 20 IIBD O=C(c1ccc(O)cc1)N1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 436697513 UGAMGJFQVMHVOO-UHFFFAOYSA-N 441.871 4.172 5 20 IIBD O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccc(-c2noc(C(F)F)n2)cc1 438919328 MTGWFUSFJXACDU-UHFFFAOYSA-N 426.339 4.225 5 20 IIBD CCOc1ccc(-c2nc(CN3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)cs2)cc1 440487903 BGLYIDQUWIAONG-MRXNPFEDSA-N 425.514 4.198 5 20 IIBD O=C(NCC(=O)N1Cc2ccccc2C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 440891462 USHYKQLIUOCLDN-UHFFFAOYSA-N 433.489 4.018 5 20 IIBD O=C(CN(Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1c(F)cc(F)cc1Br 441252487 JLCNKJAHGLTIRY-UHFFFAOYSA-N 440.244 4.239 5 20 IIBD Cc1ccc(Br)cc1NC(=O)CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C 443952609 XBPJMECAJQCCAV-UHFFFAOYSA-N 435.278 4.043 5 20 IIBD Cc1cccc2nc(CNC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)n(C)c12 444236584 CKSKZRQXRJTDMD-UHFFFAOYSA-N 432.430 4.085 5 20 IIBD CCOC(=O)[C@H]1CN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)Cc2ccccc21 444253819 QGOMXSRGXAUDQY-FQEVSTJZSA-N 444.462 4.123 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H]1CCOc2ccc(Br)cc21 445878500 SVRNDFOBCMWLRB-GOSISDBHSA-N 448.317 4.450 5 20 IIBD COc1ccc(NC(=O)CN[C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 445986318 UAAQXHBIAQONAZ-RDJZCZTQSA-N 437.418 4.487 5 20 IIBD COc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])cc(OC)c1OC 446424087 JINIFLBXPRZMRG-UHFFFAOYSA-N 438.436 4.452 5 20 IIBD C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccccc1OC(F)F 446969684 OOUCYVVMPDMWJY-VIFPVBQESA-N 440.346 4.255 5 20 IIBD CN1CCC2(CCN(Cc3ccc(Oc4ccccc4Cl)c([N+](=O)[O-])c3)CC2)C1=O 447072302 ISSVRSNHKWUOBN-UHFFFAOYSA-N 429.904 4.485 5 20 IIBD CC[C@H](NC(=O)[C@H](CC)Cc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccc(C)cc1)n1cncn1 462641427 SCUGCVXJMYSJRR-WTIAFYNJSA-N 435.528 4.248 5 20 IIBD CS(=O)(=O)C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccccc1 463054966 PQPIYCLOGNOGRE-LJQANCHMSA-N 434.901 4.384 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3C[C@@H]4CCC(=O)c5cccc3c54)cc2)c(C)c1[N+](=O)[O-] 464454024 WIDZUIXPZWYNLE-SFHVURJKSA-N 430.464 4.177 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)c(C)s1 466618234 SISKOSPMTCRMKV-UHFFFAOYSA-N 438.465 4.172 5 20 IIBD Cc1cc(C(F)(F)F)ccc1CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 468183121 MUQUPSHVDIHHHW-LJQANCHMSA-N 449.429 4.151 5 20 IIBD O=C(N[C@@H](CO)CC(F)(F)F)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 468330619 HLITULKGCYZBEA-GFCCVEGCSA-N 434.823 4.443 5 20 IIBD COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1c(C)ccc([N+](=O)[O-])c1C 468898412 JVTSPWSQUFHSNX-LBPRGKRZSA-N 428.894 4.080 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1cccc(NC(=O)c2ccc3nc[nH]c3c2)c1 469109904 UDNLBVHQKOXKHR-UHFFFAOYSA-N 449.854 4.307 5 20 IIBD COCCOc1ccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)c(Cl)c1 471735850 JCOVWHGNSANXOC-UHFFFAOYSA-N 446.809 4.478 5 20 IIBD CC(C)c1ccc(C(=O)N2CCN(Cc3csc(C(C)(C)C)n3)CC2)cc1[N+](=O)[O-] 473654120 LNUJQXQLSLFJBZ-UHFFFAOYSA-N 430.574 4.430 5 20 IIBD COc1ccc(OC)c(CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C(C)(C)C)c1 474158911 NKRKSYJOZNYTDY-UHFFFAOYSA-N 426.473 4.463 5 20 IIBD COc1cc(OCC(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)ccc1[N+](=O)[O-] 474873689 TXMMETGTZQPLKZ-UHFFFAOYSA-N 438.402 4.407 5 20 IIBD O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1ccc(Cl)cc1[N+](=O)[O-] 475089921 VXSSNZQYQQLQJM-ZDUSSCGKSA-N 428.659 4.090 5 20 IIBD O=[N+]([O-])c1cc(CN[C@@H](CO)c2ccc(Br)cc2C(F)(F)F)cs1 475624365 JQCAUZYGFVYBOR-LBPRGKRZSA-N 425.226 4.261 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccc3c(=O)cc[nH]c3c2)cc1[N+](=O)[O-])c1ccccn1 477216666 OMGNSRCQSYCXTL-CQSZACIVSA-N 429.436 4.257 5 20 IIBD CCOC[C@@H]1CCN(C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 477605347 BCPLWKWDIJJKOG-OAHLLOKOSA-N 428.510 4.046 5 20 IIBD CCOc1cc(Br)ccc1N[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 477624103 YDTFQTKJARZZDL-NSHDSACASA-N 438.278 4.204 5 20 IIBD CCOC(=O)c1csc([C@@H]2CCCN2c2ncc([N+](=O)[O-])c(C)c2Br)n1 478045676 HFTLSJDUXMYCKI-NSHDSACASA-N 441.307 4.035 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cnn(-c2ccc(C)cc2)c1C(C)C 481886161 GBOYUQYUJGBCTL-KRWDZBQOSA-N 439.520 4.083 5 20 IIBD COC(=O)c1cc(OCC(=O)N[C@H](c2ccc(C)cc2)c2cccs2)ccc1[N+](=O)[O-] 481994392 ZTSCEOOLXOTFOZ-OAQYLSRUSA-N 440.477 4.036 5 20 IIBD COc1ccc(CNc2cc(NC(=O)CN3CCCC[C@@H]3C)ccc2F)cc1[N+](=O)[O-] 482556970 XDDSNIFJXMELQW-HNNXBMFYSA-N 430.480 4.168 5 20 IIBD C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C[C@]2(CCCOC2)O1 482956514 FFCTZQXIADYFQJ-ZHRRBRCNSA-N 428.510 4.156 5 20 IIBD CN1CCC[C@@H]2CN([C@H](C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c3ccccc3)CC[C@@H]21 483486574 PIXHHNDKCHFUQX-WTNAPCKOSA-N 442.947 4.344 5 20 IIBD Cc1csc(Sc2ccc(NC(=O)C(=O)NCc3cccc([N+](=O)[O-])c3C)cc2)n1 483814066 GDNDKFQNCDHOCQ-UHFFFAOYSA-N 442.522 4.074 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1 484117401 VULSFRYXKDSBQM-DOTOQJQBSA-N 447.438 4.052 5 20 IIBD COC(=O)[C@@H](C)N(C(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1C 484819618 JXPVGZGXQCOXTL-CQSZACIVSA-N 449.301 4.193 5 20 IIBD CN(C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1cnc2ccccc2n1 484865213 DACDACWHTYGFLY-UHFFFAOYSA-N 443.250 4.307 5 20 IIBD COC(=O)c1c(F)ccc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1F 485161475 OXZJAKYYNZWMFC-CHWSQXEVSA-N 447.438 4.394 5 20 IIBD O=C(NCCC(c1ccccc1)c1ccccc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 485605240 WQJQFNLXXPPKQY-UHFFFAOYSA-N 433.512 4.360 5 20 IIBD CCN(C(=O)c1sc(Br)cc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 486118530 SQFDYBPIPOQDAD-CQSZACIVSA-N 438.347 4.155 5 20 IIBD CC(C)C(=O)NC1CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 486833109 JPIXREQBYBXPTG-UHFFFAOYSA-N 427.526 4.123 5 20 IIBD Cc1cccc([C@@H](NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C(C)(C)C)c1 488828058 BNEFKMUTWPQCNK-OAQYLSRUSA-N 425.485 4.495 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2c(F)cccc2F)nnc1-c1ccc([N+](=O)[O-])cc1 489429566 DQQPSYUPMVZHHT-NSHDSACASA-N 433.440 4.271 5 20 IIBD COc1ccc(CNC(=O)c2ccccc2SCc2cn3ccccc3n2)cc1[N+](=O)[O-] 491279462 RTGJIXYPAFHYQJ-UHFFFAOYSA-N 448.504 4.473 5 20 IIBD CS(=O)(=O)c1cccc([C@@H](NCCc2cccc([N+](=O)[O-])c2)c2ccc(F)c(F)c2)c1 495009944 RSPGGUIGSTUXJA-JOCHJYFZSA-N 446.475 4.198 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F 499450761 FAYVCKXNFHIRBQ-UHFFFAOYSA-N 433.342 4.206 5 20 IIBD COc1ccc(CSCC(=O)NCCCc2c[nH]c3ccc(F)cc23)cc1[N+](=O)[O-] 502010358 RPEQQDZMHFVVIF-UHFFFAOYSA-N 431.489 4.206 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 502119985 IBMLLHNZQAJODC-HNNXBMFYSA-N 426.448 4.473 5 20 IIBD CCOc1cc(NC(=O)Nc2cc(OC)c(OC)c(OC)c2)c([N+](=O)[O-])cc1OCC 502328744 XMCGHPRAVXNJAN-UHFFFAOYSA-N 435.433 4.062 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccc(C)c1)N1CCOCC1 504088769 KVNDIEORTPCUIW-NRFANRHFSA-N 443.569 4.209 5 20 IIBD O=C(CCN1CCCCC1)Nc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 505754928 OVKWFZRWBCOMOU-UHFFFAOYSA-N 442.541 4.140 5 20 IIBD NC(=O)Cc1ccc(N[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cc1 506281430 FUKRNENNEXVIOV-NRFANRHFSA-N 438.871 4.068 5 20 IIBD O=C(NCc1ccco1)[C@H]1CCCN1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 506439602 PYWNPAMFJCXCIN-HXUWFJFHSA-N 439.443 4.400 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc(Br)cc1Br 506979970 SWTXZSBXZWBGOC-UHFFFAOYSA-N 444.079 4.058 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F 508464740 FCMHFOFOHYLPMS-IXDGSTSKSA-N 449.429 4.184 5 20 IIBD O=C(c1ccccc1)c1ccc(N2CCC[C@@H](CNC(=O)c3ccco3)C2)c([N+](=O)[O-])c1 509459878 RMXQCHKEXXHRHZ-KRWDZBQOSA-N 433.464 4.065 5 20 IIBD COc1cccc(CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]2CCCO2)c1 512068007 OKYYFOJJCZCSCX-QHCPKHFHSA-N 436.512 4.185 5 20 IIBD COc1cc(C(=O)Nc2cccc3cccnc23)c([N+](=O)[O-])cc1OCc1cscn1 512576704 DSZJKTFVSCQYEA-UHFFFAOYSA-N 436.449 4.439 5 20 IIBD O=C(Nc1ccc(Cl)c(F)c1N1CCOCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 512881828 RIQWWUJAOKHRSQ-UHFFFAOYSA-N 447.772 4.495 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3C[C@H](C)O[C@@H](c4ccccc4)C3)cc2)c(C)c1[N+](=O)[O-] 517931948 AULGZCGYFJWMOA-KSFYIVLOSA-N 434.496 4.059 5 20 IIBD COc1cc(NC(=O)COc2ccc(-c3ccccc3)cc2[N+](=O)[O-])cc(OC)c1OC 518660232 HJZZEQMCXAZWAH-UHFFFAOYSA-N 438.436 4.305 5 20 IIBD O=C1[C@H](Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)CCN1c1cccc([N+](=O)[O-])c1 518791538 ZWWOWCPXUCPXRF-ZWKOTPCHSA-N 431.876 4.023 5 20 IIBD COc1ccc([C@H]2C[C@H](NC(=O)c3cc([N+](=O)[O-])cc(Br)c3C)C2)cc1F 519531129 UFSDOEMTZLBTMH-JOCQHMNTSA-N 437.265 4.489 5 20 IIBD O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc(Oc2cc(Cl)ccc2Cl)c(F)c1 520098034 BCFIHYSZVIWXAN-UHFFFAOYSA-N 426.191 4.063 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)Nc1ccc(OCc2ccccn2)c(Cl)c1 520265771 REAGOTZTTULYGY-UHFFFAOYSA-N 442.859 4.423 5 20 IIBD CN1C(=O)C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H]1c1cccc(Cl)c1 522335235 HEXOIWKUZCFASF-DYVFJYSZSA-N 439.802 4.008 5 20 IIBD CC(C)C(=O)NC[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 522368949 KDNRUAZGJULJLJ-KRWDZBQOSA-N 441.553 4.370 5 20 IIBD COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 523479308 CDAPIDISJFBOND-KRWDZBQOSA-N 433.892 4.407 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@@H](c1cccc(Cl)c1)c1ccccn1 531861904 SIZMISIYIDNGJZ-FQEVSTJZSA-N 426.860 4.111 5 20 IIBD Cc1ccc2nc([C@H]3CCCN(CC(=O)Nc4ccc([N+](=O)[O-])cc4Cl)C3)[nH]c2c1 534215842 UTSDKYZWUVKBNT-AWEZNQCLSA-N 427.892 4.251 5 20 IIBD CN(C)S(=O)(=O)c1ccc(Oc2cc(Br)ccc2Cl)c([N+](=O)[O-])c1 535119379 BBAXLMIPUBOZPW-UHFFFAOYSA-N 435.683 4.053 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCSc2ccccc21 536466636 FQMQLXWTTYREIR-MRXNPFEDSA-N 432.523 4.217 5 20 IIBD CSc1cc(CNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])ccn1 536670585 YWCMCMPENPAGLL-UHFFFAOYSA-N 430.511 4.125 5 20 IIBD O=C(Cc1cccc(OCc2cccnc2)c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 539942877 WYPKCMVQRHAWDO-HSZRJFAPSA-N 435.505 4.386 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCCc1c[nH]c2ccc(Br)cc12 541518392 RJLHRPBSXMEHIW-UHFFFAOYSA-N 431.290 4.223 5 20 IIBD Cc1cc(C(=O)NCC(=O)N2CCc3cc(Cl)c(Cl)cc3[C@@H]2C)ccc1[N+](=O)[O-] 542086693 TZYOJMDHDDDJFP-LBPRGKRZSA-N 436.295 4.086 5 20 IIBD COc1cc(CN[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OCC(F)F 542689465 FRCLXZBCJSMGOQ-SJLPKXTDSA-N 440.418 4.396 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 543904089 CVRFVRUWDVJFRY-AWEZNQCLSA-N 425.938 4.130 5 20 IIBD CN1CCN(CC2(C)CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)CC2)CC1 544595816 CQAAXAROUYHVAE-UHFFFAOYSA-N 428.602 4.173 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(-c3nc(Cc4nc(-c5ccccc5)n[nH]4)no3)cs2)c1 546496152 KNQFQOVYLAVMFP-UHFFFAOYSA-N 431.437 4.144 5 20 IIBD CC(C)(C)c1nc(CN2CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)CC2)cs1 547274939 UQQUZIPNZFXZEW-UHFFFAOYSA-N 448.564 4.110 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)cc1[N+](=O)[O-] 549311887 PRXUHXSHBPGSLG-LBPRGKRZSA-N 444.900 4.496 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 553270007 WTOJUSLJKXMVQT-XUVXKRRUSA-N 435.480 4.078 5 20 IIBD C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 555871242 WWJTVHYCEQDYHR-LBPRGKRZSA-N 443.372 4.411 5 20 IIBD Cn1ccnc1[C@@H](N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1ccc([N+](=O)[O-])cc1 556885056 KYKZMDIQNNOISR-QRWLVFNGSA-N 429.883 4.079 5 20 IIBD CN(CC(=O)NC(c1ccccc1)c1ccccc1)C(=O)CSc1ccccc1[N+](=O)[O-] 557866164 DLKNWIRZBBOWRR-UHFFFAOYSA-N 449.532 4.051 5 20 IIBD COc1cc(CCNC(=O)Nc2cccc(N3CCCCCC3)c2)c([N+](=O)[O-])cc1OC 564506435 VFSGHTMFPTVUAS-UHFFFAOYSA-N 442.516 4.357 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N(C)CCc3ccncc3)c([N+](=O)[O-])c2)c(C)c1 568309509 GYPFQHAPZYSNGA-UHFFFAOYSA-N 440.525 4.086 5 20 IIBD CCOc1ccc(-c2noc([C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)cc1F 570007755 DOGWJHIYXXDAIJ-SFHVURJKSA-N 440.431 4.468 5 20 IIBD Cn1ccnc1[C@H](Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1cccc([N+](=O)[O-])c1 570384340 IUIKYCHLAXQPFB-HSZRJFAPSA-N 431.496 4.219 5 20 IIBD O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCCN2c3ccccc3C[C@H]2C1 589541706 DCQDHNVTHGZNLA-QFIPXVFZSA-N 442.519 4.484 5 20 IIBD CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 603966494 APLXSRDIKSTLOK-GDMQMHGZSA-N 427.545 4.129 5 20 IIBD O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 604071344 CJOTXKJENRYJNH-UHFFFAOYSA-N 446.429 4.443 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)c(C)c(Cl)c2)cc1OC 604458353 VKZITDMAOYKRON-UHFFFAOYSA-N 429.256 4.496 5 20 IIBD O=C(N[C@H](Cc1cccc(F)c1)c1cccc(F)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 604509275 QQNXCPGJRUOMOQ-GOSISDBHSA-N 426.375 4.316 5 20 IIBD CC(C)N(C)S(=O)(=O)c1ccc(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 608836759 KZQORVLGOOPRRL-UHFFFAOYSA-N 443.525 4.174 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCc3nncn3-c3ccccc3)c([N+](=O)[O-])c2)cc1 608973054 SHWNILUSBMMLDF-UHFFFAOYSA-N 428.452 4.348 5 20 IIBD CN(C)CCc1ccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 609062878 KYAFCVJTEJULHS-UHFFFAOYSA-N 427.448 4.449 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1[nH]c2ccc(Br)cc2c1Cl 609461220 LVGJWICQTQBCEH-UHFFFAOYSA-N 438.665 4.301 5 20 IIBD O=C(CCn1cnc2sccc2c1=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609761785 JSGPDAYORHZBRR-UHFFFAOYSA-N 436.449 4.187 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)N[C@H]2CSc3ccccc32)cc1[N+](=O)[O-] 609795706 XJEAEPZTXLRCIW-IBGZPJMESA-N 447.516 4.469 5 20 IIBD C[C@@H](O)C[C@@H](C)CNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 610146240 QKQVQMUHSOKYLX-CHWSQXEVSA-N 439.871 4.386 5 20 IIBD COc1cc(C(=O)N[C@H]2C[C@@]2(C)c2ccccc2)c([N+](=O)[O-])cc1OCc1cscn1 610191458 ZJSBRRHDPPUTEH-UNMCSNQZSA-N 439.493 4.099 5 20 IIBD C[C@H](N[C@@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 610816006 ZNOZRKMNEXIWRZ-JKSUJKDBSA-N 436.537 4.352 5 20 IIBD C[C@@H]1CCN(C)c2ccccc2N1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 610890512 QGGCPMCJCQOGDP-LLVKDONJSA-N 430.313 4.325 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 611339218 TZWRUYIGWAUATM-ROUUACIJSA-N 445.541 4.039 5 20 IIBD COc1cccc(OC)c1Oc1ccc(CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 617701696 VKYWFRLYJVTKRU-HNNXBMFYSA-N 437.452 4.219 5 20 IIBD COc1ccc(-n2cnnc2SCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1 619256951 ZBKSITPKDDBFNG-UHFFFAOYSA-N 438.412 4.086 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1ncc(-c2ccccc2)[nH]1 619776726 VCXSSVFPKMKKAN-UHFFFAOYSA-N 448.220 4.150 5 20 IIBD Cc1cc2oc(=O)cc(COC(=O)c3cc([N+](=O)[O-])ccc3Br)c2cc1C 725983964 ARFOMOYIMWRRET-UHFFFAOYSA-N 432.226 4.438 5 20 IIBD Cc1ccc(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2I)cc1 728484330 LBAIFVVSEDLXAZ-UHFFFAOYSA-N 438.265 4.215 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)O[C@H](C)C(=O)Nc2cccc(F)c2)CC1 729469482 ARMRFLVETIHUHP-OAHLLOKOSA-N 429.448 4.154 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NCC2CCN(Cc3ccccc3Cl)CC2)c1[N+](=O)[O-] 730109167 OASGORVYPPPQPD-UHFFFAOYSA-N 448.907 4.281 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)C1CCN(Cn2c(=S)oc3ccc([N+](=O)[O-])cc32)CC1 730259490 SPDBTYMUHCVAGW-CYBMUJFWSA-N 436.534 4.455 5 20 IIBD O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1ccc(Br)c([N+](=O)[O-])c1 731337627 XKWNNQPTFPIMOC-UHFFFAOYSA-N 442.273 4.204 5 20 IIBD COC(=O)Cc1cccc(OC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 731554959 IANFCBFHTBVJDJ-OAHLLOKOSA-N 435.436 4.098 5 20 IIBD O=C(Oc1ccc(NC(=O)C2CCCCC2)cc1)c1cc([N+](=O)[O-])cc2c1OCCO2 732001496 RPRZKELZWHKMFW-UHFFFAOYSA-N 426.425 4.104 5 20 IIBD O=C(N[C@H]1CCCN(c2cccc(F)c2)C1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 734788086 AMWRDDPHWJQDDG-SFHVURJKSA-N 426.492 4.123 5 20 IIBD CC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2cc(Cl)ccc2[N+](=O)[O-])NC(=S)N1 739667552 QDSBMLQOKVADLN-INIZCTEOSA-N 437.308 4.333 5 20 IIBD O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)c1ccc([N+](=O)[O-])cc1Br 739733174 GSFWJKQTGJWEDE-AWEZNQCLSA-N 434.073 4.128 5 20 IIBD CC(C)OCCCN(C)C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 740838225 FETRDORCXVGUAS-UHFFFAOYSA-N 433.892 4.388 5 20 IIBD C[C@H](CNC(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)N1CCN(C)CC1 742254012 RWSZTZBARTYLPU-LJQANCHMSA-N 441.575 4.299 5 20 IIBD COc1ccc(CSCC(=O)N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)cc1[N+](=O)[O-] 746249023 IYHSIRUYJRLIFE-ICSRJNTNSA-N 448.516 4.090 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(-c2nc(C3CC3)no2)c1 747620821 HNPVQXGVRPCZBI-UHFFFAOYSA-N 434.861 4.285 5 20 IIBD Cc1c(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748621308 QDIYQYPZSZRLNA-TXEJJXNPSA-N 446.435 4.125 5 20 IIBD CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)[C@H]1c1ccccc1OC 750542606 QCZPEXPGTOKMLM-VGOFRKELSA-N 443.475 4.461 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CCC[C@H](N2CCCC2)CC1 750887472 UKUOPJKDXFPIQE-ZDUSSCGKSA-N 430.730 4.101 5 20 IIBD CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 751195196 XFCQZOMIILYWIG-UHFFFAOYSA-N 447.495 4.471 5 20 IIBD CNc1ccc(C(=O)N2CCCC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 751415335 ZLNKMRPGCWERRK-ZWKOTPCHSA-N 432.521 4.031 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(Cc1cc(F)ccc1F)C1CCCC1 751435950 VJSQACYCXIZNSI-UHFFFAOYSA-N 448.422 4.044 5 20 IIBD Cn1c(COC(=O)c2cc([N+](=O)[O-])c(Br)cc2F)nc2cc(Cl)ccc21 751693388 ZJKWNRUFXPSQDO-UHFFFAOYSA-N 442.628 4.394 5 20 IIBD CCc1cc(O)nc(-c2cccc(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3Cl)c2)n1 753065282 FAGOIQNQVWDPBU-UHFFFAOYSA-N 448.888 4.082 5 20 IIBD O=[N+]([O-])c1ccccc1-c1nnc(CSc2nnc(C3CC3)n2Cc2ccccc2)o1 753853228 MWLJJQHYXAAHHR-UHFFFAOYSA-N 434.481 4.454 5 20 IIBD C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 754060037 MECCCDZLQFWWGQ-LJQBUTKESA-N 441.440 4.106 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)NC1(c2ccc(F)cc2)CCOCC1 755027022 DUOCMAZXMKFSPF-UHFFFAOYSA-N 438.253 4.324 5 20 IIBD COc1cc(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)c([N+](=O)[O-])cc1OC(F)F 758407132 CGTAZVPQGIBITB-UHFFFAOYSA-N 428.735 4.164 5 20 IIBD C[C@@H](OC(=O)c1ccc(Cl)cc1Br)C(=O)Nc1ccccc1[N+](=O)[O-] 761284456 ONIDXRZNUVNSIX-SECBINFHSA-N 427.638 4.195 5 20 IIBD COC[C@@H](C)n1c(C)cc(C(=O)COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c1C 762988312 IPBSCXDTQNGCSA-CQSZACIVSA-N 434.464 4.063 5 20 IIBD C[C@@H]1CCCCN1CCC1CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 763384236 BTBHJYYKQXJESQ-OAHLLOKOSA-N 445.532 4.072 5 20 IIBD CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)c1 763449740 HENRGCBYKABQIJ-UHFFFAOYSA-N 437.399 4.029 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1c(C)cccc1Cl 763810234 LLTJZIKKSOPLQH-UHFFFAOYSA-N 438.889 4.091 5 20 IIBD O=C(Nc1ccccc1)c1cccc(OC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1 764216524 IVHCEZQXXKCDDV-UHFFFAOYSA-N 428.404 4.252 5 20 IIBD CC(C)[C@@H](CCN(C)C(=O)c1ccc([N+](=O)[O-])c2cccnc12)NC(=O)OC(C)(C)C 765810798 MFJAAHFCGDLADC-QGZVFWFLSA-N 430.505 4.154 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(Br)cc2Cl)c2ncccc12 766459138 IVOQVDOEPMCEOM-UHFFFAOYSA-N 443.662 4.327 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@H](C)C[C@H](O)c2ccc(F)cc2)CC1 766716213 BYJOFQWLMISAHA-ZHRRBRCNSA-N 429.492 4.212 5 20 IIBD O=C(NC[C@@H](O)c1ccc(-c2ccccc2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 768561562 PWRQGFHMCWRMKR-XMMPIXPASA-N 431.492 4.325 5 20 IIBD CCc1ccc([C@@H](c2cccnc2)N(CC)S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 768851990 HFKLGPGCNRGODL-FQEVSTJZSA-N 431.539 4.414 5 20 IIBD CC(C)[C@H](C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)S(=O)(=O)C1CCCCC1 770330016 GBLJVOXJDBCVFX-MRXNPFEDSA-N 447.351 4.068 5 20 IIBD COCC[S@](=O)Cc1cccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 770578191 AWTBFDFBGKXSLD-LJAQVGFWSA-N 431.539 4.226 5 20 IIBD Cc1cc(S(=O)(=O)Oc2cccc(NC(=O)OC(C)(C)C)c2)cc([N+](=O)[O-])c1F 771771159 LUVBLWRDJQFYJQ-UHFFFAOYSA-N 426.422 4.157 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)C(C)(C)c2cccc(Cl)c2F)c([N+](=O)[O-])c1 772485034 KTFVYWROCSMYIS-NSHDSACASA-N 438.839 4.244 5 20 IIBD O=C(O[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccc([N+](=O)[O-])c(F)c1 776383642 ONTGAKAZSGJNEH-KRWDZBQOSA-N 440.349 4.101 5 20 IIBD Cc1c(C(=O)Nc2ccc(CNC(=O)OC(C)(C)C)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 777837688 GIVZRWLKWUVTDS-UHFFFAOYSA-N 430.417 4.088 5 20 IIBD Cc1nc(-c2cccc(NC(=O)COC(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)c2)cs1 778165418 HZPOUWBNRNEHIP-UHFFFAOYSA-N 447.419 4.300 5 20 IIBD Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1cc([N+](=O)[O-])c2nsnc2c1 778246273 KQFCPPOWKAFOFR-UHFFFAOYSA-N 439.497 4.032 5 20 IIBD O=C(Nc1ccccc1)c1ccc(OS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 778660948 RCVMXFGCRQESIU-UHFFFAOYSA-N 432.841 4.268 5 20 IIBD O=C(c1cc(Cl)ncc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 780578631 XNNOHQHCZISSHO-UHFFFAOYSA-N 449.216 4.278 5 20 IIBD O=C(NC[C@H](O)c1ccc(OC(F)(F)F)cc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 780911568 NGNHTAURPDIVSW-FQEVSTJZSA-N 442.393 4.043 5 20 IIBD O=C(OCc1nc(COc2ccc(F)cc2)no1)c1ccc2[nH]c3ccccc3c(=O)c2c1 781258666 AOWDRDRMXBMQGJ-UHFFFAOYSA-N 445.406 4.139 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(-n2cccn2)cc1C(F)(F)F 781610789 ZVQSILWVEINQLL-UHFFFAOYSA-N 449.345 4.279 5 20 IIBD C[C@H](OC(=O)c1ccc(OC2CCCC2)nc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 781759571 IEOJXZSZBLICCI-LBPRGKRZSA-N 433.848 4.149 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N[C@H](c1c(F)cccc1F)C(F)(F)F 781849845 MVBCYOFCBHARNY-MRXNPFEDSA-N 433.289 4.134 5 20 IIBD COC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)OC(=O)c1ccc([N+](=O)[O-])c2cccnc12 783183881 TZWHURWYTKUOHT-QGZVFWFLSA-N 448.353 4.103 5 20 IIBD COc1ccc2oc([C@H](C)NC(=O)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c(C)c2c1 783319731 XSZYIYZXUOVVAR-NSHDSACASA-N 431.832 4.127 5 20 IIBD CCc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc([N+](=O)[O-])cc1Cl 783939773 QABRGZMTAHYKKB-SFHVURJKSA-N 430.917 4.242 5 20 IIBD CCCC[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br 784705450 YMNRKHAVTPWDNO-GXTWGEPZSA-N 426.311 4.079 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccccc1C(F)(F)F 786743547 USSUAYCWKJUHDX-SECBINFHSA-N 436.795 4.068 5 20 IIBD O=C(Nc1sccc1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccco1 787606343 QGCUHCXKLCBDAN-UHFFFAOYSA-N 439.371 4.450 5 20 IIBD CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 790823096 YVPPMTNKHKEHBA-UHFFFAOYSA-N 433.895 4.046 5 20 IIBD COC(=O)c1csc(-c2cccc(CNC(=O)c3cc(Cl)ccc3[N+](=O)[O-])c2)n1 791175417 BNWJIDRMUBFZBH-UHFFFAOYSA-N 431.857 4.088 5 20 IIBD CC(C)(C)c1ccc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1[N+](=O)[O-] 791234499 KQICEFXZFPLUJM-UHFFFAOYSA-N 442.428 4.127 5 20 IIBD Cc1nn(Cc2ccc(C(=O)OCC(=O)C(C)(C)c3ccccc3)cc2)c(C)c1[N+](=O)[O-] 795405385 UQXDHCZVYJKTPK-UHFFFAOYSA-N 435.480 4.160 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Oc3cccc(Oc4cnccn4)c3)cc2)c(C)c1[N+](=O)[O-] 797011693 GLCITGMSPKPZBU-UHFFFAOYSA-N 445.435 4.258 5 20 IIBD Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 797046727 WVKULLRVLWPAKT-UHFFFAOYSA-N 439.859 4.132 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(NC(=O)OC)cc(C(F)(F)F)c1 798541866 XDPDXEHORUJMCG-UHFFFAOYSA-N 427.335 4.443 5 20 IIBD C[C@@]12CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)C[C@@H]1C2(Cl)Cl 803547758 APKBPHIMNWTDJJ-GXFFZTMASA-N 426.069 4.152 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 805147911 YFOVCTSBSNBZNC-UHFFFAOYSA-N 435.452 4.231 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@H]2COc3ccccc3[C@@H]2O)cc1 808453865 KPXNFYIGBMLERN-DHLKQENFSA-N 442.475 4.032 5 20 IIBD O=[N+]([O-])c1ccc(N2CCOCC2)c(-c2nc(Cc3csc(-c4ccccc4)n3)no2)c1 809252163 NXKFXAWZDCSZJQ-UHFFFAOYSA-N 449.492 4.196 5 20 IIBD C[C@H](CC(C)(C)c1ccccc1)NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810370304 FJLDPRHZLPESIK-CYBMUJFWSA-N 448.317 4.168 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)C[C@@H]1c1ccccc1F 812133666 RYPUWIPSTUTGDP-MGPUTAFESA-N 425.464 4.226 5 20 IIBD O=C(N[C@@H]1c2ccccc2CC12CCOCC2)c1cc([N+](=O)[O-])ccc1Br 813284982 JVJFMRRIRXJPID-GOSISDBHSA-N 431.286 4.181 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 813710348 FVVKJXCGCKXXJJ-QFIPXVFZSA-N 434.537 4.166 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C(=O)Nc1cccc2ncccc12 815510219 OHAQQXRMRWYNNQ-LLVKDONJSA-N 433.342 4.346 5 20 IIBD C[C@@H](OC(=O)c1csc(Br)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 913370310 PPCZMULZGZOLTL-SSDOTTSWSA-N 433.667 4.256 5 20 IIBD CC(C)[C@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1C(F)(F)F 915368754 MZBRHDVPPYVVDC-INIZCTEOSA-N 425.363 4.016 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@@H](COc1ccccc1F)c1ccccc1 916419329 WVDBQAMZENUQGO-FQEVSTJZSA-N 434.427 4.020 5 20 IIBD O=C(CCOc1ccc(Cl)cc1Cl)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 917319231 FJKCKIPMOSNRMI-UHFFFAOYSA-N 438.223 4.464 5 20 IIBD Cc1ccc(N2C(=O)C[C@@H](C(=O)NCc3cccc([N+](=O)[O-])c3)[C@H]2c2cccs2)cc1 921288761 SYLSZYZFMHIVCR-KNQAVFIVSA-N 435.505 4.375 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)/C=C\c1cc(Cl)cc(Cl)c1 1317736745 NIPHKRNVYOTFMB-DJWKRKHSSA-N 425.224 4.105 5 20 IIBD Cc1ccc(Sc2ccc(CN[C@H](C)C(=O)NCC(F)(F)F)cc2[N+](=O)[O-])cc1 1322601764 UAVMCPIEBVBOBL-CYBMUJFWSA-N 427.448 4.211 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(Cn1nc(-c3ccccn3)n(Cc3ccco3)c1=S)CC2 1323974328 MGFSHGAZLSFZJF-UHFFFAOYSA-N 448.508 4.041 5 20 IIBD Cc1nocc1C(=O)NC1(c2ccc(NC(=O)CCc3cccc([N+](=O)[O-])c3)cc2)CCC1 1786602588 VLNHFCWHDWVJKN-UHFFFAOYSA-N 448.479 4.272 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)NC1(c2ccc(NC(=O)c3ccccn3)cc2)CCC1 1787296487 HNKNIBCGRRQGKY-UHFFFAOYSA-N 446.463 4.065 5 20 IIBD Cc1ccc([C@H](C)C(=O)NC2(c3ccc(NC(=O)c4nc[nH]c4[N+](=O)[O-])cc3)CCC2)cc1 1788613537 RYHPKRLHGIZWTD-INIZCTEOSA-N 447.495 4.178 5 20 IIBD C[C@@H](Cc1ccccn1)C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1 1791763543 YDJFYJFUMJNONJ-INIZCTEOSA-N 448.479 4.209 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(C2CC2)cc1 1800352953 DSOPTFMIHKGFHU-REPLKXPHSA-N 437.471 4.177 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/C(C)C)n[nH]1 1823089334 ZUOADGDWNSNDER-HKMNZKMDSA-N 443.479 4.284 5 20 IIBD CC(C)/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830497720 LKTOCVUJWHYUDH-VHTFYLNKSA-N 431.508 4.179 5 20 IIBD O=C(c1ccccc1)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830618313 VWVIBNXNDPXROV-JOCHJYFZSA-N 439.487 4.281 5 20 IIBD C[C@@H]1CCN(C(=O)COC(=O)CSc2ccc([N+](=O)[O-])cc2)c2ccccc2S1 9352163 SECCEKFWLUGCEX-CQSZACIVSA-N 432.523 4.148 5 20 IIBD C[C@@H](OC(=O)c1ccc2ccccc2n1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 10663650 TUZAHUNVIVSSEN-CYBMUJFWSA-N 448.460 4.451 5 20 IIBD COC(=O)c1ccc(OCC(=O)Nc2ccccc2Oc2ccc(C)cc2)c([N+](=O)[O-])c1 11062073 WRJLTYJGPFOYMQ-UHFFFAOYSA-N 436.420 4.500 5 20 IIBD CN(Cc1ccc(Cl)cc1Cl)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 17967660 ZRIISCMEUOXMJX-UHFFFAOYSA-N 438.267 4.248 5 20 IIBD O=C(OCCCOC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc([N+](=O)[O-])cc1Cl 18032241 ZLOLNBBCJNCKLN-UHFFFAOYSA-N 443.195 4.214 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nc(C2CC2)n(-c2ccccc2)n1 23590290 FLNDTSVWEUTQAU-CYBMUJFWSA-N 439.497 4.181 5 20 IIBD O=C(Cc1coc2ccc3ccccc3c12)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 23977648 JEZOGBFVFCJJNO-UHFFFAOYSA-N 430.416 4.169 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)NCCc2ccc3ccccc3c2)cc1[N+](=O)[O-] 27677525 KHUJSFVGNXFHQV-UHFFFAOYSA-N 433.493 4.000 5 20 IIBD Cc1sc2ncnc(N3CCC(C(=O)N4CCc5ccc([N+](=O)[O-])cc54)CC3)c2c1C 29888853 SXUDKLGCSZGPRK-UHFFFAOYSA-N 437.525 4.022 5 20 IIBD COC(=O)c1cc(C(=O)NCc2cccc(COCc3ccccc3)c2)cc([N+](=O)[O-])c1 46778463 MTZQISMXLKYRSN-UHFFFAOYSA-N 434.448 4.028 5 20 IIBD CCOc1ccc([C@H](NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c2ccccc2)cc1 78721136 ANRZMNZUGOKKRO-HSZRJFAPSA-N 443.463 4.094 5 20 IIBD C[C@@H](Sc1nnc(NCCc2cccs2)s1)C(=O)Nc1cccc([N+](=O)[O-])c1 105342202 SGHYRVWZHOUBAT-LLVKDONJSA-N 435.556 4.282 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CN(C)c1nc2ccc([N+](=O)[O-])cc2s1 111104394 HTOYYCNHOZVVLW-UHFFFAOYSA-N 435.303 4.350 5 20 IIBD Cc1ccc(CN[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] 237797199 CLKHUEHBNPVLDD-QFIPXVFZSA-N 446.475 4.464 5 20 IIBD CN(Cc1nc2ccccc2s1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl 301156024 GAPNYLYHVIVHSM-UHFFFAOYSA-N 427.873 4.040 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(Cc2ccc(Br)cn2)CC1 301279007 ZNPGEARTLICLLZ-UHFFFAOYSA-N 445.239 4.093 5 20 IIBD O=[N+]([O-])c1cc(Br)cnc1N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 301722551 RQCYEBKMQKAQFR-WMZOPIPTSA-N 431.334 4.243 5 20 IIBD Cc1nc(-c2cccc(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)c2)cs1 303427868 DZTOBVWBOZVLDE-MRXNPFEDSA-N 442.522 4.332 5 20 IIBD O=C(NCC1(c2ccc(F)cc2)CCCC1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303457673 KYSGXBARSMVENZ-QGZVFWFLSA-N 445.516 4.028 5 20 IIBD O=C(CN[C@@H](c1ccccc1)C(F)(F)F)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 427602146 DSRRGOFSHQHLCV-INIZCTEOSA-N 435.324 4.123 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 429351507 SNMUNDVUYBQNKF-FQEVSTJZSA-N 443.569 4.118 5 20 IIBD CN(C)[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccc(F)cc1 436056813 DNKUHWROGYLAID-NRFANRHFSA-N 439.437 4.131 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)F)cc1Nc1cccc(C[S@](=O)C2CCOCC2)c1 436380396 ARQIJVYSVJEAMG-LJAQVGFWSA-N 429.420 4.180 5 20 IIBD COc1ccc(CNc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])nc1 436429944 FNEGHYVIPGWKDG-UHFFFAOYSA-N 442.497 4.028 5 20 IIBD COc1ccc(C2(NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)CCOCC2)cc1F 436460090 TXXJKRARXWUYHO-CQSZACIVSA-N 434.489 4.045 5 20 IIBD CC(C)N(Cc1nc(O)c2ccccc2n1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437283017 FJLGFUWFGOUYCX-UHFFFAOYSA-N 434.374 4.313 5 20 IIBD COc1ccc(C(=O)N2CCCC2)cc1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437792739 AXPIZUCMPBCICO-UHFFFAOYSA-N 438.484 4.036 5 20 IIBD CN(C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 437943388 SYPCBBUENBAJNW-HBGVWJBISA-N 441.553 4.070 5 20 IIBD COc1cc(CN[C@@H]2CCOc3c(F)cccc32)c([N+](=O)[O-])cc1OCC(F)(F)F 438479045 OLAKMPJFSIUJHW-CQSZACIVSA-N 430.354 4.297 5 20 IIBD CC(C)c1ccc(C(=O)N(C)C[C@H](O)COc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] 439508161 CCDOMDILXICMBX-INIZCTEOSA-N 440.418 4.249 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCO[C@]3(C[C@H]4CC[C@H]3C4)C2)cc1[N+](=O)[O-])c1ccccn1 440907502 KUVBAJJUIUFQBZ-NXVXYNHZSA-N 436.512 4.194 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Nc1ccc(F)cc1OCCC(F)(F)F 443528294 ISEOSUSEEWGBCT-UHFFFAOYSA-N 426.319 4.005 5 20 IIBD CC[C@@]1(C)CN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 443579202 UBSHFLQZZNWVAQ-NRFANRHFSA-N 431.876 4.142 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCN(c2ccccc2Br)C1 443950050 UPLMKXURRJDDDQ-CQSZACIVSA-N 433.306 4.375 5 20 IIBD Cc1ccnc(OC2CCN(C(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)CC2)c1 444302115 PVYBIFNWLHIPIL-UHFFFAOYSA-N 449.457 4.347 5 20 IIBD C[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc(OCc2ccccc2)c1 444719898 AZDIQGNGBYGQHH-INIZCTEOSA-N 449.463 4.192 5 20 IIBD COc1cccc([C@H]2[C@@H](c3nc(-c4ccc(C)c([N+](=O)[O-])c4)no3)CC(=O)N2C2CC2)c1 445214489 YRAMLIWYRAERTJ-RXVVDRJESA-N 434.452 4.181 5 20 IIBD O=C(Nc1ccccc1C(=O)N1CCCCC1)c1sc(Br)cc1[N+](=O)[O-] 445267039 WKMNESHBNXBZFW-UHFFFAOYSA-N 438.303 4.297 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2Cc2nc([C@H]3CCCOC3)no2)cc1 445521351 PVUFFNKYQNHVPM-KRWDZBQOSA-N 431.452 4.315 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(CSc3nccn3-c3ccc(C(C)C)cc3)n2)n1C 445598517 BNBDPNAOOXOLQP-UHFFFAOYSA-N 439.501 4.288 5 20 IIBD COc1cc(Cc2noc(-c3cc(Br)cs3)n2)c([N+](=O)[O-])c(OC)c1 445817712 GMMLPTSZCFJELE-UHFFFAOYSA-N 426.248 4.077 5 20 IIBD COc1cc(Cc2noc(-c3cc(-c4ccccc4Cl)[nH]n3)n2)c([N+](=O)[O-])c(OC)c1 445821889 ZDKXCAQHRNEEAN-UHFFFAOYSA-N 441.831 4.296 5 20 IIBD COc1ccc(CSCc2nc(-c3nnc(-c4ccccc4)o3)no2)cc1[N+](=O)[O-] 445994494 HRCNWJQRJBZYKJ-UHFFFAOYSA-N 425.426 4.137 5 20 IIBD CCN(C(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)ccc1Cl)C(C)C 447255781 IHESWZQYMBGBAR-UHFFFAOYSA-N 439.921 4.228 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1CNCc1noc(-c2cccc(Br)c2)n1 448266464 HWXFSMUVVYOWOO-UHFFFAOYSA-N 433.262 4.096 5 20 IIBD Cn1ccnc1[C@H](Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)c1ccccc1F 462438686 ULKDPQQMRNGMOE-OAQYLSRUSA-N 433.443 4.643 5 20 IIBD CCO[C@@H]1C[C@@H](NCc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C12CCCC2 462759092 WJMOCTCMJDIXKN-QZTJIDSGSA-N 432.439 4.372 5 20 IIBD CO[C@H](CNc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])c1ccccc1 462774664 CIHIFGCTZOGCFR-OAQYLSRUSA-N 427.482 4.195 5 20 IIBD COc1ccccc1Nc1ncccc1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464631107 AHSLBBAOGRHSDK-UHFFFAOYSA-N 448.479 4.426 5 20 IIBD C[C@]1(CNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CCO[C@@H]1C1CC1 466830082 CCSKBOIBDBAGHR-IEBWSBKVSA-N 439.299 4.022 5 20 IIBD COc1ccc(N(C)C(=O)c2ccc([N+](=O)[O-])cc2I)cc1Cl 466878025 PFHSPCUOMPQCEE-UHFFFAOYSA-N 446.628 4.138 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CCC[C@]2(C)Cc2ccccc2)cc1[N+](=O)[O-] 468780548 BBBHFWKNRBIDCY-JOCHJYFZSA-N 437.525 4.112 5 20 IIBD CCCOc1ccccc1[C@@H](CC(C)C)NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 470772858 MBRDPSYRZVKTDO-GOSISDBHSA-N 441.484 4.195 5 20 IIBD COCCC[C@@H](Cc1ccccc1)NC(=O)c1sc(Br)cc1[N+](=O)[O-] 471331510 NWDUOUIOGBSOHS-ZDUSSCGKSA-N 427.320 4.187 5 20 IIBD CSc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1Cl 474761907 FJVRXCOJBVGZKU-GFCCVEGCSA-N 425.919 4.275 5 20 IIBD COc1cc(N[C@H]2CCCN(C(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)C2)cc(OC)c1 475643457 XFMHKWCBCXHFBY-INIZCTEOSA-N 428.489 4.337 5 20 IIBD COC(=O)COc1ccc(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])c2ccccc12 476625656 KDTFJTVPERYDIN-UHFFFAOYSA-N 437.452 4.006 5 20 IIBD CCN(C[C@@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1)CC(F)(F)F 477255072 LECBIOFJYPSLJQ-ZDUSSCGKSA-N 442.463 4.065 5 20 IIBD COc1ccc(N(CCC(C)C)C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1 477887546 LPCUIOWOESQXCL-UHFFFAOYSA-N 441.484 4.371 5 20 IIBD CCc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cnn1-c1cccc(C(F)(F)F)c1 480227328 QFOUZRMIDMNOOY-UHFFFAOYSA-N 440.403 4.163 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CN1CCO[C@H](c2ccc(F)c(Br)c2)C1 481613416 IXVZINWXYITXIU-SFHVURJKSA-N 425.254 4.079 5 20 IIBD CCCNC(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 481851298 AVFBQVMHGNJKEP-UHFFFAOYSA-N 427.526 4.124 5 20 IIBD CCc1ccc(C(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)cc1[N+](=O)[O-] 482352382 NLRVZUAAISCTNC-NTKDMRAZSA-N 432.480 4.401 5 20 IIBD CC[C@@H](NCCC(=O)N(C)Cc1ccccc1Br)c1cccc([N+](=O)[O-])c1 482889961 MWUUZEIWURHSLG-LJQANCHMSA-N 434.334 4.447 5 20 IIBD COc1ccccc1[C@H](C)NC(=O)CSc1ccc(Br)cc1[N+](=O)[O-] 485272576 MXEJKLLAMHQMSL-NSHDSACASA-N 425.304 4.335 5 20 IIBD Cc1ccc(C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2I)cc1 485675773 HDSBVJDZQXMKEN-UHFFFAOYSA-N 438.265 4.215 5 20 IIBD Cc1ccccc1[C@@H]1CN(C(=O)c2sc(Br)cc2[N+](=O)[O-])[C@@H](C)CO1 485878269 ACWZDJNQIKUPFL-FZMZJTMJSA-N 425.304 4.329 5 20 IIBD Cc1nc(-c2ccc(Br)cc2)c(NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])n1C 486437267 OCMDPLGUTFYRNZ-UHFFFAOYSA-N 447.293 4.165 5 20 IIBD O=C(CCCc1nnc(-c2ccccc2)o1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 486719915 CBDUZCXMVJGPET-UHFFFAOYSA-N 434.374 4.303 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3c(-c4ccccc4)n[nH]c3C)cc2)c(C)c1[N+](=O)[O-] 487041317 DTAKSWJKSBOOMF-UHFFFAOYSA-N 430.468 4.407 5 20 IIBD O=C(c1cccnc1SCC1CCCCC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 487049243 VRMOAHSCEYCREQ-UHFFFAOYSA-N 429.546 4.336 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3C[C@@H](C(N)=O)Cc4ccccc43)cc2[N+](=O)[O-])cc1 487091597 RVBBGQTUDFMXIK-SFHVURJKSA-N 447.516 4.359 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCCc2cc(OC(F)(F)F)ccc21 487147785 IJDLBBPQPOBZQB-UHFFFAOYSA-N 432.358 4.272 5 20 IIBD Cc1ccc(Cn2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)c2=O)cc1 488934369 DPRRBECYCRGDBO-UHFFFAOYSA-N 431.370 4.384 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 489064317 RYOUZQSOCDOZPO-QGZVFWFLSA-N 436.917 4.280 5 20 IIBD O=C(Nc1cccc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1)c1ccccn1 489653179 XRXZWXRYYFQFDT-UHFFFAOYSA-N 445.479 4.116 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 489731915 GCMJADRZZMKBBN-LLVKDONJSA-N 435.358 4.496 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCOC[C@H]1c1nc2ccccc2s1 500695062 IFBXVLNHTHRXQQ-LRDDRELGSA-N 447.900 4.225 5 20 IIBD Cc1c(CNC(=O)N[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cccc1[N+](=O)[O-] 503134668 KIIOAHGTBZCHFQ-HXUWFJFHSA-N 437.418 4.123 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 504789324 FWZMCOYXRHXMSP-UHFFFAOYSA-N 442.475 4.445 5 20 IIBD O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1 505814141 VZTYZTKUOYBIPW-WBMJQRKESA-N 438.324 4.247 5 20 IIBD COc1ccc(NC(=O)CNc2cccc(COc3ccc(F)cc3)c2)c([N+](=O)[O-])c1 506312181 YJVYPSGROXKKTL-UHFFFAOYSA-N 425.416 4.372 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(OCCc2ccccc2)c1 506811326 JANZHURGNHXHBE-UHFFFAOYSA-N 449.463 4.192 5 20 IIBD COCCN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)[C@H](C)c1cccc(C(F)(F)F)c1 511963554 HJCXLMQRQBDMKK-CYBMUJFWSA-N 426.391 4.472 5 20 IIBD Cc1ccc(NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c(OCc2ccccc2)c1 513296872 LTIIVNLRKQQNML-UHFFFAOYSA-N 440.477 4.138 5 20 IIBD O=C(Nc1cc(Br)cnc1OCC(F)(F)F)c1cc(F)cc([N+](=O)[O-])c1 513401642 HIMVKFDJIPASGM-UHFFFAOYSA-N 438.131 4.085 5 20 IIBD COc1ccc(CC(=O)NCc2ccc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 516064960 HWJDBLJRAHZAIL-UHFFFAOYSA-N 433.464 4.023 5 20 IIBD C[C@@H](NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(-c2cccnc2)cc1 516598340 WPKVAIRSZKSZBM-QGZVFWFLSA-N 444.491 4.025 5 20 IIBD O=C(CSc1nccn1-c1ccc(C(F)(F)F)cc1)N1CCc2cc([N+](=O)[O-])ccc21 517658713 PZSZAEZKEIJSCI-UHFFFAOYSA-N 448.426 4.481 5 20 IIBD COc1ccc(C2(CN[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)CCCCC2)cc1 518003379 WEINVYFTTXGROI-QGZVFWFLSA-N 441.528 4.431 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccn(Cc2ccccc2)n1 520696295 LYKVZQVQIJFFHH-UHFFFAOYSA-N 433.390 4.299 5 20 IIBD C[S@@](=O)c1cccc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c1 522877023 QNEQBEKKTMDRSN-MUUNZHRXSA-N 439.280 4.077 5 20 IIBD CCn1nc(C)c(CNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c1C 524057784 GGBQQJLOWGRMPF-UHFFFAOYSA-N 431.543 4.274 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1-c1nc(C2CC2)no1 530601473 DGXAFFIRUJKEBD-UHFFFAOYSA-N 443.847 4.376 5 20 IIBD O=C(Nc1cc(Cl)cc(Br)c1O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 531372471 UKULTLBXCHHFFY-UHFFFAOYSA-N 437.637 4.154 5 20 IIBD CC[C@H](NC(=O)c1ccc(SC)c([N+](=O)[O-])c1)[C@H](c1ccc(C)cc1)n1cncn1 533756954 QCCFCPGVAMMVCH-PXNSSMCTSA-N 425.514 4.015 5 20 IIBD CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1=O 534766189 SKALLRZYCFHFFF-NRFANRHFSA-N 440.843 4.261 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CNc3ccc(Cl)c(-n4nnnc4C4CC4)c3)co2)cc1 534793947 CXRHUTMVOPGOBH-UHFFFAOYSA-N 437.847 4.368 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N(Cc1cccc(F)c1)C1CC1 535662365 VLOVMPGMXDRENJ-UHFFFAOYSA-N 432.473 4.194 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@H]2CN(C)Cc3ccccc32)cc1[N+](=O)[O-])c1ccccn1 536033956 BTQOPPYIYDZUMN-AOMKIAJQSA-N 431.496 4.079 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2ccc(Cl)cc2[N+](=O)[O-])cc1 538141720 NGNHFYGLNGITFL-CQSZACIVSA-N 425.938 4.130 5 20 IIBD COCC1(C)CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)CC1 540288677 FFZVIWVQSOWQGW-UHFFFAOYSA-N 449.554 4.021 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnn(Cc3nnnn3-c3ccc(Cl)cc3C(F)(F)F)c2)c1 540858397 CJFDRBQINBMMGW-UHFFFAOYSA-N 449.780 4.155 5 20 IIBD CCc1[nH]nc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c1-c1ccc2c(c1)OCO2 541789486 VHHJKSWQCIRXPH-NSHDSACASA-N 426.404 4.157 5 20 IIBD O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 541798598 MQVANHVEURYYNO-UHFFFAOYSA-N 429.889 4.385 5 20 IIBD COc1ccc(NC(=O)c2sccc2S(=O)(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-] 542069701 ITLVFODFUHKRKP-UHFFFAOYSA-N 447.494 4.026 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCc1nc(-c2ccc(F)cc2)no1 543376136 ZDRHDQYLSLWDFV-UHFFFAOYSA-N 441.463 4.337 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F 543639078 BIJAHRZZUAVEIL-QFYYESIMSA-N 426.242 4.394 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(Cn2nc(C(=O)OC)c(Cl)c2C)cc1OC 544726338 HWSGHWQVNYZQOD-LLVKDONJSA-N 425.869 4.022 5 20 IIBD CCCN(Cc1ccccc1Br)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] 545366066 HSKTUNJKCKKYMW-UHFFFAOYSA-N 427.320 4.099 5 20 IIBD CCCc1c(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cnn1-c1cc(C)ccn1 546903120 YZPOUDXIRKNENX-UHFFFAOYSA-N 445.483 4.089 5 20 IIBD CN(C(=O)c1ccncc1)c1ccc(-c2noc(/C=C\c3ccc([N+](=O)[O-])cc3)n2)cc1 547133272 MPEVHXYAJBTTSB-WCIBSUBMSA-N 427.420 4.487 5 20 IIBD Cc1cc(N2CCC(OCCN3C[C@H](C)O[C@@H](C)C3)CC2)c([N+](=O)[O-])cc1C(F)(F)F 549139473 XSSDKQCCQWVNRH-HOTGVXAUSA-N 445.482 4.017 5 20 IIBD O=C(NCc1noc(-c2cccs2)n1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 553594967 ARIXWRKKOASEKC-UHFFFAOYSA-N 435.465 4.248 5 20 IIBD CN(Cc1ccc(C(C)(C)C)cc1)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 556510067 VLZALQLNFXMLRY-UHFFFAOYSA-N 448.317 4.252 5 20 IIBD CCn1ncc2c(C(=O)N(C)CCc3ccccc3[N+](=O)[O-])cc(-c3ccccc3)nc21 557363927 UUDFWDMAXKUWQZ-UHFFFAOYSA-N 429.480 4.341 5 20 IIBD O=C(Nc1ccnc(N2CCc3ccccc3C2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 557482988 DIOBKWICKITVLN-UHFFFAOYSA-N 443.507 4.405 5 20 IIBD Cn1cnc(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2cccc([N+](=O)[O-])c2)CCC3)n1 558353995 SRUZSKWBVRJNIA-FOWTUZBSSA-N 440.463 4.401 5 20 IIBD CC1(C)CN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)[C@@H]2CCC[C@@H]21 561642407 WVLMTXGBLDFXHY-VQTJNVASSA-N 443.525 4.046 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCOC[C@@H]3[C@@H]3CCCO3)cc2[N+](=O)[O-])cc1 574540997 IWIMLTPOSAUUQO-UXHICEINSA-N 428.510 4.074 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1c2ccccc2CC12CCOCC2 575323855 HYRUKAQOBDLBFL-JLTOFOAXSA-N 430.888 4.226 5 20 IIBD O=C(Nc1cc(F)cc(Br)c1F)N1CCOc2ccc([N+](=O)[O-])cc2C1 578404021 AQTUABOMHIPAQQ-UHFFFAOYSA-N 428.189 4.062 5 20 IIBD COC(=O)c1csc(-c2cccc(CNc3ncnc4sc([N+](=O)[O-])cc34)c2)n1 583221613 ZERBMERWZDWNJG-UHFFFAOYSA-N 427.467 4.122 5 20 IIBD Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 588939943 WGVHSXKVOFZJPE-GOSISDBHSA-N 449.429 4.204 5 20 IIBD COC(=O)COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2cccc(C)c2)cc1[N+](=O)[O-] 602756684 DRTLRCLFHOXLHQ-HSZRJFAPSA-N 447.447 4.226 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](NCCc1ccco1)c1ccccc1 603743540 LJIMEQSVBPJAGI-IBGZPJMESA-N 444.285 4.462 5 20 IIBD O=C(CC1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1)NC1CCCC1 604517729 UJEGTBFERACOOX-UHFFFAOYSA-N 442.541 4.019 5 20 IIBD COc1ccccc1N1CCN(c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])CC1 608971607 LSIOUFMYKOZYLP-UHFFFAOYSA-N 446.507 4.491 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2c(C)c(C(C)(C)C)nn2-c2ccccc2)c([N+](=O)[O-])c1 609323567 ULEUCCMDDMPRNN-UHFFFAOYSA-N 428.514 4.496 5 20 IIBD Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)CCn2cc([N+](=O)[O-])nc2C)c1C 609795363 PBNVFMVHIHMJJD-UHFFFAOYSA-N 437.287 4.238 5 20 IIBD COc1cc(C(=O)NCc2ccc(Oc3cc(C)ccc3C)nc2)cc([N+](=O)[O-])c1OC 610171651 PYDFIQKKDSOBPG-UHFFFAOYSA-N 437.452 4.346 5 20 IIBD CCOc1cc(NC(=O)N[C@@H]2CCOc3cc(OC)ccc32)c([N+](=O)[O-])cc1OCC 610318072 SRUYNEPRJZAWOI-OAHLLOKOSA-N 431.445 4.046 5 20 IIBD Cc1nn(C(C)C)c(C)c1S(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 610338412 DMJOHQDNYUIHJC-UHFFFAOYSA-N 428.514 4.385 5 20 IIBD COc1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)cc1[N+](=O)[O-] 611775302 AQQVZUZZLHASDN-UHFFFAOYSA-N 429.436 4.163 5 20 IIBD Cc1nc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)sc1C 727472284 AYUZTDZSKXJITD-UHFFFAOYSA-N 429.424 4.041 5 20 IIBD O=C(CCc1ccc(OC(F)(F)F)cc1)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 727539700 SPJUPYDMXILDOI-UHFFFAOYSA-N 437.330 4.219 5 20 IIBD COc1ccc([C@H](C)OC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1Cl 728773950 WQGPCZVNJKJWED-LBPRGKRZSA-N 434.832 4.249 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F 728969909 RAJMUHFGXLICLR-INIZCTEOSA-N 436.308 4.102 5 20 IIBD O=C(c1ccc(I)c([N+](=O)[O-])c1)N(Cc1cccc(F)c1)C1CC1 730476082 QMCQXXPYFNYAKV-UHFFFAOYSA-N 440.212 4.143 5 20 IIBD COc1ccc2oc(C)c(C(=O)OC[C@@H]3CCCN3C(=O)c3ccccc3[N+](=O)[O-])c2c1 730702627 ANXJJKOYBYXFND-HNNXBMFYSA-N 438.436 4.120 5 20 IIBD Cc1ccc(NC(=O)Cc2nc(COC(=O)c3ccc([N+](=O)[O-])c(F)c3)cs2)cc1 731515913 BKVJPHBCHOVCLD-UHFFFAOYSA-N 429.429 4.037 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl 731606104 IDQCZFJJZDAHMT-NSHDSACASA-N 441.267 4.321 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1Nc1cc(F)c(N2CCCC2)c(F)c1 731980358 MHLQBGNPZDWSEF-UHFFFAOYSA-N 433.383 4.213 5 20 IIBD COc1cc(C(=O)N[C@H](CN(C)C)C(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 733167650 XYCDKNQKQAAZGY-MRXNPFEDSA-N 435.908 4.365 5 20 IIBD CCN(CC)C(=O)[C@H](Cc1ccccc1)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 733322719 SAONMIDPLBFYDB-NRFANRHFSA-N 438.553 4.288 5 20 IIBD O=C(OCc1ccc(OCc2cccnc2)cc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 733443445 KCHSKSCVJYLJHD-UHFFFAOYSA-N 430.420 4.112 5 20 IIBD CN(C)C[C@H]1CCN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C1 733981767 ZKPAQARMUUVGGN-CQSZACIVSA-N 442.566 4.379 5 20 IIBD COC[C@@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 735638234 GJHIIUYQFNWLON-CQSZACIVSA-N 447.207 4.494 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)COc1cccc(NC(=O)c2ccco2)c1 735644822 TULVFHROHBSXEA-UHFFFAOYSA-N 430.800 4.386 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)Oc1ccc(OCc2nc(C(C)(C)C)no2)cc1 741582991 CLFUIJJINPEBQQ-UHFFFAOYSA-N 427.413 4.082 5 20 IIBD CC(C)OCC(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 744283416 ITDATLQVNRJJPA-UHFFFAOYSA-N 427.240 4.484 5 20 IIBD CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 744365134 HMRGLFUOGYCIAC-GOSISDBHSA-N 433.427 4.283 5 20 IIBD O=C(CCc1ccccn1)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 745524684 YTPKMGPOZIEHIB-OAQYLSRUSA-N 439.855 4.499 5 20 IIBD C[C@@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 745973414 CFHIMDUEMRNCAD-GFCCVEGCSA-N 440.403 4.247 5 20 IIBD O=C(OCC(=O)N1CCC[C@@H]2CCCC[C@@H]21)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 747956353 GUSBUUFXVTVFFJ-KSSFIOAISA-N 429.498 4.056 5 20 IIBD Cc1c(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748609221 CAWOCKGHXPUDTG-LJQANCHMSA-N 446.891 4.340 5 20 IIBD O=C(OCCCc1nc(-c2ccccc2)no1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 748668120 ZBKJRUJCUGIWTH-UHFFFAOYSA-N 436.468 4.425 5 20 IIBD Cc1cc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)ccc1N1CCSCC1 749834206 AHYXCMSGGOOKEG-UHFFFAOYSA-N 441.962 4.219 5 20 IIBD C[C@H](c1ccc(F)cc1)N(C)C(=O)COC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 751642935 HBYLLPDJODMMTJ-GFCCVEGCSA-N 440.880 4.242 5 20 IIBD O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1cc(F)cc([N+](=O)[O-])c1Br 754634357 CIAAFWCCDTVWDA-AWEZNQCLSA-N 439.237 4.307 5 20 IIBD C[C@H](C(=O)O[C@H](C)C(=O)Nc1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1F 755064884 BEUMHUNYXUMXMT-WDEREUQCSA-N 428.338 4.427 5 20 IIBD COc1ccc(-c2cncc(C(=O)OCc3nc(-c4ccc([N+](=O)[O-])cc4)no3)c2)cc1 758101664 CLQAOTBTWQACMF-UHFFFAOYSA-N 432.392 4.072 5 20 IIBD CC1(C)C[C@@H](NC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C(=O)O1 762043116 STPHPWDUBYUAFL-CYBMUJFWSA-N 443.506 4.180 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2ccc(CS(=O)(=O)c3ccccc3)o2)n1 762068301 FMGCESGQHOOFRF-UHFFFAOYSA-N 425.422 4.187 5 20 IIBD O=C(NC1CCC2(CC1)OCCO2)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 763913647 DSTQLKYDMVZXGH-UHFFFAOYSA-N 445.903 4.276 5 20 IIBD CC(C)(C)c1nc(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cs1 765904526 BQKPFYPFSRAHCN-UHFFFAOYSA-N 430.299 4.223 5 20 IIBD COc1ccc(CN(c2ccncc2)S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)cc1 768546137 PDAPCRSLCKVDOB-UHFFFAOYSA-N 447.900 4.356 5 20 IIBD CCCN(C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)C1CCN(C(=O)OC(C)(C)C)CC1 769029336 VBTLSTCDYLGFNL-INIZCTEOSA-N 434.537 4.477 5 20 IIBD COc1ccc(NC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1OC1CCCC1 770168631 SGJJYEIVLBZQHC-UHFFFAOYSA-N 425.445 4.123 5 20 IIBD COc1ccc(-n2nc(C(=O)O[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cc2C)cc1 771172592 ORJKDLJFJJSUFT-CQSZACIVSA-N 449.423 4.066 5 20 IIBD O=[N+]([O-])c1cccc(-c2ncn(CN3CCC[C@@H](c4nc(C(F)(F)F)cs4)C3)n2)c1 771867017 QCZPYAOPIURCBW-CYBMUJFWSA-N 438.435 4.166 5 20 IIBD O=C(CCC(=O)c1ccc(F)cc1F)OCc1ccc(Br)c([N+](=O)[O-])c1 773407533 KQHCEYRXVKICQH-UHFFFAOYSA-N 428.185 4.342 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)Nc2c(C)cccc2F)cc1 776351359 UFCGYWJQFWMSGX-UHFFFAOYSA-N 444.440 4.371 5 20 IIBD O=C(O[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cc(F)ccc1[N+](=O)[O-] 776379967 TZZITABLKCWUDE-QGZVFWFLSA-N 440.349 4.101 5 20 IIBD COc1cc(COC(=O)[C@H]2SCCc3sccc32)c([N+](=O)[O-])cc1OCC(F)F 780065156 BPZGMVWJTFRUSD-KRWDZBQOSA-N 445.465 4.383 5 20 IIBD COc1ccc(NC(=O)C2=C(C)N(CC3CC3)C(=O)N[C@H]2c2ccc([N+](=O)[O-])s2)cc1 782248777 YOJDVTSGASKEQT-IBGZPJMESA-N 442.497 4.054 5 20 IIBD O=[N+]([O-])c1ccccc1OCCN(Cc1ccco1)S(=O)(=O)/C=C/c1ccccc1 782304635 HWSUGSGEMWKDGQ-FOWTUZBSSA-N 428.466 4.070 5 20 IIBD CCc1ccc(-c2noc([C@H](C)NCCC(=O)Nc3cc([N+](=O)[O-])ccc3F)n2)cc1 782544771 QLZZELAYGFSSEU-ZDUSSCGKSA-N 427.436 4.026 5 20 IIBD C[C@@H](OC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)c1ccccc1C(F)(F)F 789082074 IBZYQYLXGNYFRK-LLVKDONJSA-N 440.330 4.269 5 20 IIBD C[C@]12CCN(C(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C[C@@H]1C2(Cl)Cl 790848141 RYMBXLPAGAZEID-JSGCOSHPSA-N 426.222 4.339 5 20 IIBD CN(Cc1cccc(NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)c1)C(=O)OC(C)(C)C 791212260 SWUYHMGMJZNKRU-UHFFFAOYSA-N 446.479 4.419 5 20 IIBD Cc1cccc([C@@H]2CCN(CN3Cc4cc(Br)c([N+](=O)[O-])cc4C3=O)C2)c1 795452980 XLUPUDZNRSSSOO-OAHLLOKOSA-N 430.302 4.069 5 20 IIBD CCCc1[nH]nc(C(=O)O[C@@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1[N+](=O)[O-] 796267265 MPZYDJAUWIRDMT-ZETCQYMHSA-N 449.678 4.415 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1 797645843 MITVEVCOSHYICU-GOSISDBHSA-N 426.473 4.074 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(-c2nc(-c3nc(Br)ccc3F)no2)c1 798188162 BDCHYDAEKLDPOC-UHFFFAOYSA-N 444.014 4.371 5 20 IIBD COC(=O)[C@H](OC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccccc1C(F)(F)F 800468379 AIHALXQJYAAZFU-QLJPJBMISA-N 429.322 4.314 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cc(F)c(C(F)(F)F)cc1F 805592843 OADOHBATEWUDPJ-QMMMGPOBSA-N 448.300 4.084 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](c2ccc(F)cc2)C[C@@H]1C 812116308 CPXUQTYOSRDWQD-MAUKXSAKSA-N 425.464 4.021 5 20 IIBD Cc1cccc([C@@H](CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])N2CCOCC2)c1 812908761 PVAFHZMDRSGVOX-GOSISDBHSA-N 438.311 4.013 5 20 IIBD C[C@@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C 813462183 RQDRAJXVQIAGJD-QMTHXVAHSA-N 432.304 4.277 5 20 IIBD C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)cc1 897462738 UDZUUCWMAUZQMR-OKILXGFUSA-N 447.438 4.294 5 20 IIBD CCc1c(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cnn1-c1ccc(C)cc1 914639529 WYCWFEORBHSPOG-UHFFFAOYSA-N 442.859 4.100 5 20 IIBD C[C@@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1=O 915665912 KGJYBZZDGNHKTD-KRWDZBQOSA-N 427.766 4.234 5 20 IIBD CN(C(=O)c1cc2c(s1)CCCCC2)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 916990219 ISCWMURHUIEHDR-UHFFFAOYSA-N 428.919 4.040 5 20 IIBD Cc1c(OC(=O)/C(=C/c2cccs2)n2nnnc2-c2ccccc2)cccc1[N+](=O)[O-] 917049506 BFMULYYPWCGJJO-AQTBWJFISA-N 433.449 4.222 5 20 IIBD C[C@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cc2c(cc1Br)OCCO2 917787607 JPPQGNRGCDTCFD-VIFPVBQESA-N 441.665 4.273 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)CCCOc1cccc(F)c1 918554578 OTLGJXCWTUIWPQ-UHFFFAOYSA-N 442.447 4.380 5 20 IIBD Cc1c(C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cnn1-c1ccc(Cl)cc1 919052403 VTANQIIIFHKIMN-UHFFFAOYSA-N 439.815 4.149 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)ccc1Cl 919959280 CDPOQYPVGUQFKT-GFCCVEGCSA-N 447.296 4.260 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCc3ccc([C@@H](C)O)cc3)cc2[N+](=O)[O-])n1 920270963 CUHTZVDQUMYLMJ-CYBMUJFWSA-N 429.523 4.494 5 20 IIBD COc1ccc(N(Cc2ccccc2)C(=O)COc2ccc([N+](=O)[O-])c(F)c2)cc1OC 1318160877 QLVLCIJRVKPWHF-UHFFFAOYSA-N 440.427 4.363 5 20 IIBD C[C@@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccc(Cl)c(F)c1 1319658639 XXOAGBSDOHJVHA-SNVBAGLBSA-N 435.868 4.158 5 20 IIBD Cc1cccc(N2N=C(C(=O)N(C)c3nc(-c4ccccc4[N+](=O)[O-])cs3)CCC2=O)c1 1320051564 FOHOPTJYBQKSNC-UHFFFAOYSA-N 449.492 4.173 5 20 IIBD O=[N+]([O-])c1ccc(N2CCOCC2)c(-c2nnc(CSc3ccc(Cl)cc3)o2)c1 1323945914 JHPSRXOJUPJRML-UHFFFAOYSA-N 432.889 4.427 5 20 IIBD CNC(=O)c1ccc(NCc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)c(C)c1 1325680835 XIOMSBSYEBAOKD-UHFFFAOYSA-N 435.480 4.463 5 20 IIBD Cc1nc(-c2ccccc2)sc1-c1nnc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)o1 1333055849 MPVRYKHFEFNRBA-UHFFFAOYSA-N 442.478 4.147 5 20 IIBD Cn1cc([C@H](NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c2ccccc2)cn1 1337694968 OPEDJQMRQSVUKL-QGZVFWFLSA-N 430.262 4.002 5 20 IIBD COc1cc(C(=O)NC2(c3ccc(NC(=O)c4c[nH]c(C)c4)cc3)CCC2)ccc1[N+](=O)[O-] 1788816963 NKNHVMDQQTYBQJ-UHFFFAOYSA-N 448.479 4.301 5 20 IIBD CC(C)OCC(=O)NC1(c2ccc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])cc2)CCC1 1792315523 WVXWEGGKRAWPAD-MDWZMJQESA-N 437.496 4.167 5 20 IIBD Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H]2CC=CCC2)cc(Cl)cc1[N+](=O)[O-] 1800016238 DCGPVLGLRLJGSK-OWLYRPNTSA-N 431.920 4.165 5 20 IIBD Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c(F)ccc([N+](=O)[O-])c2C)C3)ccc1F 1800451297 QGQGZHLONSGJLN-BJWYYQGGSA-N 443.450 4.055 5 20 IIBD CCCCC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(N(C)C)ccc1[N+](=O)[O-])C2 1801713599 CDPVDBATNKULGD-XEYPJELSSA-N 444.576 4.129 5 20 IIBD CCCCC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1c1cccnc1 1802269579 NDUWTAOIZYHXEV-CDXJDZJCSA-N 442.516 4.119 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CC=CCC2)CC1 1824100518 PPAMOLLBDIAEPU-YQKXDXBVSA-N 441.528 4.177 5 20 IIBD C[C@@H]1CCC[C@@H]1C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1824276264 FUPHVONXPBSSIC-WGYPMGCCSA-N 443.544 4.257 5 20 IIBD C[C@@H]1CCC[C@@H]1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830495478 BANKXGMXIRVILE-GTCCEBARSA-N 445.535 4.403 5 20 IIBD Cc1c(C(=O)N2CCCC23CN(C(=O)[C@@H](C)c2cccs2)C3)cc(Cl)cc1[N+](=O)[O-] 1845500187 YTESQJKSFAMZPA-AWEZNQCLSA-N 447.944 4.239 5 20 IIBD Cc1c(C(=O)N2CCCC23CN(C(=O)[C@]2(C)CC=CCC2)C3)cc(Cl)cc1[N+](=O)[O-] 1845500232 GDCPTTXBBMDGCK-OAQYLSRUSA-N 431.920 4.120 5 20 IIBD COc1ccc(NC(=O)COC(=O)CSc2ccc3ccccc3c2)c([N+](=O)[O-])c1 20751992 AJAZLYFPMODLAZ-UHFFFAOYSA-N 426.450 4.031 5 20 IIBD C[C@@H](Sc1nnc(-c2ccncc2)n1-c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 21682401 URGOPHWMCCQGAX-OAHLLOKOSA-N 446.492 4.357 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)NCCc2cccc(F)c2)cc1[N+](=O)[O-] 26214183 CYQFJBIULQJVPH-UHFFFAOYSA-N 435.455 4.003 5 20 IIBD COc1c(C)cnc(CN(C)C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1C 58958572 SVSCJESTIHIEKE-UHFFFAOYSA-N 434.496 4.500 5 20 IIBD O=C(NCCNc1ncccn1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 60629920 XIOFCLABPHERFU-UHFFFAOYSA-N 429.889 4.031 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 65087304 KALSDPUFNGELSW-SFHVURJKSA-N 437.477 4.467 5 20 IIBD CC(C)[C@@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])Nc1ccccc1 107939545 GPYKNRWNKCWWDU-QGZVFWFLSA-N 425.407 4.402 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNCc1cn(Cc2ccccc2)nc1-c1cccnc1 237202353 XVGOTSKQUZUYKI-UHFFFAOYSA-N 429.480 4.200 5 20 IIBD CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 426204124 DVXXZJCVIBYALA-DIFFPNOSSA-N 429.370 4.328 5 20 IIBD CC(C)(c1nc(CC(=O)Nc2ccccc2Br)no1)c1ccccc1[N+](=O)[O-] 426450936 OVKAUGFIIWFAIB-UHFFFAOYSA-N 445.273 4.247 5 20 IIBD COc1cc(C(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)cc([N+](=O)[O-])c1OC 427597606 WIWMYJZEAAXRKT-UHFFFAOYSA-N 433.464 4.479 5 20 IIBD CCOc1cc(NC(=O)C(=O)Nc2ccc(C3CCC3)cc2)c([N+](=O)[O-])cc1OCC 427660381 RQPDTEISPQTNGV-UHFFFAOYSA-N 427.457 4.237 5 20 IIBD CC(C)(NCc1nc(Cc2cccc(Br)c2)no1)c1ccccc1[N+](=O)[O-] 429264194 BMBMFQQZCFKJLE-UHFFFAOYSA-N 431.290 4.356 5 20 IIBD O=C(Nc1ccc(NC[C@H]2CCCO2)c(F)c1)c1ccc(Br)cc1[N+](=O)[O-] 431337813 LDYZGBNCCMTOOA-CYBMUJFWSA-N 438.253 4.340 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)n1 432155418 KRUSPEDPVZAMRZ-MRXNPFEDSA-N 439.390 4.152 5 20 IIBD O=C(Cc1cc(F)ccc1Br)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 434149479 ZSQSLYKWPHVAIN-UHFFFAOYSA-N 437.265 4.109 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@H](C)CC(=O)c3ccco3)cc2[N+](=O)[O-])n1 434258308 XKPBWQUDFDPKEL-LLVKDONJSA-N 431.495 4.495 5 20 IIBD COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1cccc(OC)c1[N+](=O)[O-])CC2 435666516 ZALPLVHIUPASPN-QHCPKHFHSA-N 448.475 4.409 5 20 IIBD C[C@H]1CCC[C@](CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)(N(C)C)C1 436148918 IJISZKKFBAKZNN-BSEYFRJRSA-N 427.495 4.200 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCO[C@@H](c2ccccc2F)C1 436335036 GMCYQNRUBZRVGI-HXUWFJFHSA-N 438.405 4.312 5 20 IIBD Cc1nn([C@@H](C)C(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)cc1[N+](=O)[O-] 436473043 CTDPWNWJYINMFM-SUMWQHHRSA-N 427.848 4.285 5 20 IIBD CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 436509885 LXXNKQOTEXVXEF-LJQANCHMSA-N 437.500 4.148 5 20 IIBD CCC(CC)c1cc(CNS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)on1 439235613 KHHMTPSWHBXHNQ-UHFFFAOYSA-N 446.323 4.036 5 20 IIBD Cc1ccc(CN(Cc2ccco2)C(=O)c2c([N+](=O)[O-])c(C)nn2C)c(Br)c1 441583515 DKFDHKQCUHWVOX-UHFFFAOYSA-N 447.289 4.143 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCO[C@@H](c2ccsc2)C1 444231004 BBXTWXGANSWOBA-GOSISDBHSA-N 426.444 4.235 5 20 IIBD C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 444410706 NHBNVMZOXJMMEA-OPAMFIHVSA-N 443.931 4.453 5 20 IIBD CC1CCN(c2ccc(C(=O)NC[C@@]3(O)CCC[C@H](C(F)(F)F)C3)cc2[N+](=O)[O-])CC1 444468567 QVVNPHRYQXYNMI-OXJNMPFZSA-N 443.466 4.045 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C 444733966 XWVMQOBIOPDSPO-XOBRGWDASA-N 433.892 4.047 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1cccc(NC(=O)Nc2ccccc2)c1 444839542 RRUFMRFIYVYHDG-UHFFFAOYSA-N 445.439 4.437 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1cccc(CSc2ccccn2)c1 445240865 GKBDDXLSIALXDH-UHFFFAOYSA-N 434.481 4.480 5 20 IIBD CC1CCN(c2ccc(-c3nc(CC(=O)N[C@@H](C)c4ccccc4)no3)cc2[N+](=O)[O-])CC1 445296085 KZQZNYFXPZSJNB-KRWDZBQOSA-N 449.511 4.301 5 20 IIBD COCCOc1c(Cl)cccc1NC(=O)c1sc(Br)cc1[N+](=O)[O-] 446027146 WARDRISSPPPVHV-UHFFFAOYSA-N 435.683 4.350 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCC(c2noc(C3CC3)n2)CC1 447685531 MEAZIXLTTIQQQY-UHFFFAOYSA-N 433.337 4.288 5 20 IIBD CC(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 460627244 GSFOXPFJRPQWKS-XLIONFOSSA-N 443.454 4.100 5 20 IIBD Cc1cc(C(C)(C)NC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)ccc1Br 460669173 KCHGFLYOBBWDJD-UHFFFAOYSA-N 446.305 4.277 5 20 IIBD CC[C@H](c1ccccc1)c1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1C[C@@H]1CCOC1 461546256 BGCXPHKLZVGWFR-FDDCHVKYSA-N 447.539 4.327 5 20 IIBD CC(C)N(Cc1ccco1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCO1 461679439 IPZONPDTNYAESD-LJQANCHMSA-N 425.489 4.430 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N(Cc1ccco1)Cc1ccco1 462483417 LCNLUVVEAIPFOL-UHFFFAOYSA-N 431.253 4.479 5 20 IIBD CCN(Cc1ccc(C(=O)N(C)C)cc1)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 462491244 CUEZKLPBYJUTNY-UHFFFAOYSA-N 434.496 4.297 5 20 IIBD CCOC(=O)c1ccnc(Oc2ccc(OCc3nc(C(C)(C)C)no3)cc2)c1[N+](=O)[O-] 462867726 VLDDRQUTWXDYMZ-UHFFFAOYSA-N 442.428 4.218 5 20 IIBD C[C@@H](Sc1nnc(N2CCOCC2)n1-c1cccc(F)c1)c1ccccc1[N+](=O)[O-] 463252000 WVSAHUQBUIUAKE-CQSZACIVSA-N 429.477 4.005 5 20 IIBD COc1cc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)ccc1OCC(C)C 464666815 WELZSGZOYCOPHS-UHFFFAOYSA-N 428.485 4.322 5 20 IIBD O=C(NCCc1ccccc1OC(F)(F)F)C1CCN(c2ccccc2[N+](=O)[O-])CC1 465075220 IGEKZTLZNOPDBS-UHFFFAOYSA-N 437.418 4.069 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCCc2ccccc2OC(F)(F)F)cc1SC 465080350 NJWOOUBZHRRSOP-UHFFFAOYSA-N 430.404 4.196 5 20 IIBD CC(C)OC(=O)C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 468140849 VVYADMGJTJVTGP-LJQANCHMSA-N 439.512 4.401 5 20 IIBD CC[C@@H](C)[C@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 469466841 OOJOQFRAWGLDMO-ASSNKEHSSA-N 443.887 4.419 5 20 IIBD COCCN(Cc1sccc1Br)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 470144432 NOCMOFDLGSTFDJ-UHFFFAOYSA-N 432.271 4.238 5 20 IIBD CCN1CC[C@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@@H]1c1cc(F)c(F)c(F)c1 470144793 PCMQKAJRFSLTSQ-WMZOPIPTSA-N 426.370 4.108 5 20 IIBD C[C@@H](CCS(=O)(=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)OCc1ccccc1 473409521 QJRBWEJIKGRMIH-INIZCTEOSA-N 430.482 4.160 5 20 IIBD O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCC(c2ccccc2C(F)(F)F)CC1 475424089 SXNBAGLLKCUTEG-UHFFFAOYSA-N 445.401 4.214 5 20 IIBD COc1c(C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)cccc1[N+](=O)[O-] 476359793 SJCPELHIVQPXID-UHFFFAOYSA-N 445.229 4.201 5 20 IIBD CO[C@@]1(C)CCCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1 477868714 VVWRATFWASPDRR-FQEVSTJZSA-N 443.466 4.248 5 20 IIBD COc1ccccc1-c1nc(C2CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)CC2)no1 481410083 XDXUSOJWHZLICW-UHFFFAOYSA-N 447.451 4.155 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2cc(F)ccc2OCC2CC2)cc1[N+](=O)[O-] 482485077 VAHRLMFNTLWBPB-UHFFFAOYSA-N 443.460 4.055 5 20 IIBD Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)cc1[N+](=O)[O-] 488243963 NPUGOYLNSYXLCA-MRXNPFEDSA-N 440.905 4.305 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)c1 488393559 SGJOBHJVHKGSRK-CQSZACIVSA-N 440.905 4.081 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccc(Cl)s3)o2)c([N+](=O)[O-])c1 488858267 RJSKTFUFDFKXCE-QMMMGPOBSA-N 440.890 4.488 5 20 IIBD Cc1nc(CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)oc1-c1ccc(Cl)cc1 489490850 OJVGQPQPJMHRMQ-OAQYLSRUSA-N 440.843 4.179 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc([C@H]2CN(Cc3ccccc3)CCO2)no1 500793766 NUZCDVZQHRKVOB-DNVCBOLYSA-N 426.498 4.405 5 20 IIBD COc1cc(Cn2nc(C(F)(F)F)c3cnccc32)c([N+](=O)[O-])cc1OCC(F)F 503320209 UNIQQMBZDHLJJN-UHFFFAOYSA-N 432.305 4.059 5 20 IIBD COc1ccc(-c2nc(C)c([C@H](C)NS(=O)(=O)c3c(C)cccc3[N+](=O)[O-])s2)cc1 506252762 FMOGDYMFFOXKBG-AWEZNQCLSA-N 447.538 4.383 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccc(N4CCCCC4)cn3)cc2)c(C)c1[N+](=O)[O-] 509245153 FYQVSMFSVUNEAI-UHFFFAOYSA-N 434.500 4.094 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)c([N+](=O)[O-])c1 509581240 AEVSQGOALVALOA-UHFFFAOYSA-N 432.502 4.112 5 20 IIBD O=C(Nc1cc(F)c(Br)cc1F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 510127990 JKEVVACDHLIGQH-UHFFFAOYSA-N 426.217 4.488 5 20 IIBD C[C@@H](CC1CCCCC1)C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 510203873 POYGROLDMFDCGO-ZDUSSCGKSA-N 437.543 4.429 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cccc(COCc3ccccc3)c2)c(Cl)c1 511050886 XZKPDCNAXISQBJ-UHFFFAOYSA-N 446.912 4.444 5 20 IIBD Cc1ccc(S(=O)(=O)N(Cc2ccc(Br)cc2)C(C)C)cc1[N+](=O)[O-] 511859755 PIGMAMLQBGFYCU-UHFFFAOYSA-N 427.320 4.265 5 20 IIBD Cc1nc(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)sc1-c1nc2ccccc2n1C(F)F 512305841 HVRULDGYVPTRSI-UHFFFAOYSA-N 447.427 4.066 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Sc2nnc(C[C@H](C)c3ccccc3)o2)c([N+](=O)[O-])c1 513324671 HNSBENBLOOKTJZ-KBPBESRZSA-N 442.497 4.452 5 20 IIBD COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)N2[C@H](C)CCC[C@H]2C)cc1OC 514320103 XALBXGLZMGTVSF-HUUCEWRRSA-N 441.484 4.267 5 20 IIBD CC1CCN(c2ccc(C(=O)NC[C@@H](C)N3CCc4sccc4C3)cc2[N+](=O)[O-])CC1 520001137 WGHXEDRBLSCVRC-QGZVFWFLSA-N 442.585 4.069 5 20 IIBD COc1ccc(Br)c(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 520389838 QMUMRGLRCCWJQC-SNVBAGLBSA-N 443.681 4.103 5 20 IIBD C[C@H]1C[C@H](N(C)c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CCN1Cc1ccccc1 523088652 UWLKRPHLHLUTPT-GHTZIAJQSA-N 447.539 4.049 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 523540091 CPKLAMGGUBMDHH-CYBMUJFWSA-N 449.305 4.055 5 20 IIBD Cc1cc(S(=O)(=O)N2CCC[C@@H]2c2cccc(Br)c2)ccc1[N+](=O)[O-] 523758027 KQWXUWVBKKZCFG-QGZVFWFLSA-N 425.304 4.192 5 20 IIBD COc1ccc(CNC(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)cc1[N+](=O)[O-] 525577324 CFTSXLCVKFHVJC-UHFFFAOYSA-N 434.880 4.107 5 20 IIBD C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 535461059 VQSHLUQIWLNWBK-HZPDHXFCSA-N 434.496 4.375 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(OCc3ccccn3)c(F)c2)c1 537326294 UKVZTUNVMFBPDO-UHFFFAOYSA-N 425.416 4.424 5 20 IIBD C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](C(=O)Nc1ccccc1)c1ccccc1 537971240 FJKYEZOARKZVPR-GAJHUEQPSA-N 432.480 4.282 5 20 IIBD C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 539800783 LCICVUZMSYTJAN-SNVBAGLBSA-N 444.702 4.032 5 20 IIBD C[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccc(NC(=O)c2ccccc2)c1 540332556 GAUVAALFFPSKLX-KRWDZBQOSA-N 444.491 4.087 5 20 IIBD CC(C)n1c(SC[C@H](O)COc2ccccc2[N+](=O)[O-])nc2cc(Cl)ccc2c1=O 541260661 XITQCSUZNXQCEZ-CQSZACIVSA-N 449.916 4.071 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)ccc1-n1nnnc1C(C)C 541340699 QTIOWSHFIXDVOD-UHFFFAOYSA-N 434.378 4.273 5 20 IIBD Cc1cc(-c2noc([C@H](C)N[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)n2)ccc1F 543551805 PNVRIJSESHLYBF-RYUDHWBXSA-N 447.854 4.424 5 20 IIBD CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 544487116 RCZFGWBTKTUHMJ-KNQAVFIVSA-N 427.476 4.326 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1 544572105 HUVFORUTLVYVNJ-OALUTQOASA-N 442.459 4.313 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 545958326 KHDREGNLKHGVBZ-UHFFFAOYSA-N 437.452 4.175 5 20 IIBD CC(=O)NCC[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 554661735 AGPFEXKFDXIRKC-QGZVFWFLSA-N 433.574 4.256 5 20 IIBD C[C@H]1CN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)CCCO1 556065802 XUMHDQAFLKALHQ-IFXJQAMLSA-N 448.317 4.148 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 557024376 YVRCHTOPUKNPDU-LJQANCHMSA-N 429.542 4.162 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2Cl)o1 558179957 CSEIBYUOTAGIGY-SNVBAGLBSA-N 434.861 4.426 5 20 IIBD O=[N+]([O-])c1ccc(N[C@@H]2CCc3sc(Cl)cc32)c(S(=O)(=O)N2CCCC2)c1 558598621 DFPZUOYODOISKL-CYBMUJFWSA-N 427.935 4.194 5 20 IIBD Cc1ccc(C(=O)N(CCc2ccc(Cl)cc2)C[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] 570736920 VYLPGKQUWOZGIQ-KRWDZBQOSA-N 430.810 4.165 5 20 IIBD Cc1cn(-c2c(F)cccc2F)nc1-c1nc(CCNc2ccccc2[N+](=O)[O-])no1 576549600 HYCOGCZWLNYWRM-UHFFFAOYSA-N 426.383 4.072 5 20 IIBD CCc1nnc(CNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)s1 576557168 ZFCBPJKWDXBGIN-UHFFFAOYSA-N 431.905 4.204 5 20 IIBD O=C(Nc1ccc2nc(C(F)F)sc2c1)c1cc([N+](=O)[O-])ccc1SCCO 588054741 XHDDQGUMHYPLMK-UHFFFAOYSA-N 425.438 4.479 5 20 IIBD CCOc1ccc(CCC2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)cc1 589818918 ZDQVRKAFGOPKSM-UHFFFAOYSA-N 432.542 4.246 5 20 IIBD Cc1ccc(NC(=O)CSc2nnc(NC(=O)c3ccc([N+](=O)[O-])s3)s2)c(C)c1 603441917 LAZRCICESFRDTJ-UHFFFAOYSA-N 449.539 4.108 5 20 IIBD O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N(Cc1cc(Br)ccc1F)C1CC1 603520166 HLCOYEBPHFCUNH-UHFFFAOYSA-N 437.221 4.030 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 603569071 SFUZBKQQUCOIQX-SFHVURJKSA-N 436.295 4.165 5 20 IIBD O=C(Nc1ccc(N2CCc3sccc3C2)nc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 603737559 PQZPIZLYZFJJNJ-UHFFFAOYSA-N 446.492 4.052 5 20 IIBD O=C(N[C@H]1CCN2CCC[C@H]2C1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 603919636 SXOCEDWWWKJBKM-ROUUACIJSA-N 428.920 4.217 5 20 IIBD Cn1c(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc2ccccc21 603948718 YJZCYLUROVEBLS-UHFFFAOYSA-N 432.402 4.068 5 20 IIBD Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 603970400 WBDVQCOYRXHBBK-UHFFFAOYSA-N 447.495 4.404 5 20 IIBD CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1Cl 603983321 VTGWNKLLRHDKEF-UHFFFAOYSA-N 439.921 4.276 5 20 IIBD CCOc1ccc(C2(CNC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)CCOCC2)cc1 604368366 FPMUEKVDZULPBG-KRWDZBQOSA-N 427.501 4.102 5 20 IIBD Cc1cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n(-c2ccccc2C(F)(F)F)n1 608927113 HVSVJAZPQVGCHQ-UHFFFAOYSA-N 440.403 4.217 5 20 IIBD COc1ccc(CN(C)Cc2cccc(NS(=O)(=O)c3ccccc3)c2)cc1[N+](=O)[O-] 609040758 VWHDFKSZEOPKHM-UHFFFAOYSA-N 441.509 4.036 5 20 IIBD C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609551170 JLTGMCQTZPIFOM-BUXKBTBVSA-N 427.844 4.104 5 20 IIBD COc1ccccc1CN(CCO)C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611216474 QJNLXGAGXXVLQJ-UHFFFAOYSA-N 430.526 4.273 5 20 IIBD O=C(O)[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(Br)c1 617345433 LBGPUJKBDPZZGB-INIZCTEOSA-N 448.298 4.396 5 20 IIBD CSc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1 725985551 MMSWKQRNKINLFH-SNVBAGLBSA-N 439.287 4.263 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1cccc(OCc2cscn2)c1 727113134 PDIGPBSKXIHQOJ-UHFFFAOYSA-N 425.875 4.085 5 20 IIBD COc1ccc(NC(=O)COC(=O)/C=C\c2cccc(OC3CCCC3)c2)c([N+](=O)[O-])c1 727885045 BRIUCFRNGVVRCX-XFXZXTDPSA-N 440.452 4.120 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)O[C@H]2CCc3ccc(Cl)cc32)cc1[N+](=O)[O-] 727964425 XWLDBOATKDSAOQ-INIZCTEOSA-N 430.873 4.372 5 20 IIBD CCOc1ccc(-c2nnc(SCc3cc([N+](=O)[O-])ccc3OC(C)C)n2N)cc1 729152344 FDTYQYDCOXPQEV-UHFFFAOYSA-N 429.502 4.045 5 20 IIBD Cc1oc(-c2ccsc2)nc1CC(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 729195329 JBTSKPXNEYWDOM-UHFFFAOYSA-N 442.497 4.017 5 20 IIBD Cc1nc(CCC(=O)O[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)oc1-c1ccccc1 730336191 SSRRFWKJJCTDJS-AWEZNQCLSA-N 441.415 4.200 5 20 IIBD CC(C)COc1ccc(C(C)(C)C(=O)OCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 730875849 ZIQIVQGYCAVCMT-UHFFFAOYSA-N 440.496 4.040 5 20 IIBD O=C(NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1C[C@H]1c1cccc2ccccc12 730922873 MXBSRZCXTRDSJN-HOTGVXAUSA-N 430.869 4.010 5 20 IIBD O=C(NC[C@H](O)c1ccc2ccccc2c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 731828780 CYSJRJSLLMIXRQ-IBGZPJMESA-N 434.370 4.153 5 20 IIBD O=C(Nc1cccc(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)c1)c1cccnc1 735444413 VFPVOSHJRREMKL-UHFFFAOYSA-N 444.403 4.254 5 20 IIBD C[C@H]1Sc2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3Br)cc2NC1=O 739579535 ICGYVPIDUPRGGH-SECBINFHSA-N 437.271 4.147 5 20 IIBD O=C(N[C@H]1CCCN(c2ccccc2Cl)C1)c1cc([N+](=O)[O-])ccc1N1CCCC1 741708053 UFFFNSMGYQLSFG-INIZCTEOSA-N 428.920 4.247 5 20 IIBD CC(C)(C)OC(=O)N1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C(C)(C)C1 742203115 RPPWUXKQMAPNHG-UHFFFAOYSA-N 449.551 4.013 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@@H]3Cc4ccccc4S3)CC2)ccc1[N+](=O)[O-] 744203391 IIWXYUWRRJYWJN-NRFANRHFSA-N 428.510 4.223 5 20 IIBD Cc1cc(C(=O)Oc2ccc(Cl)cc2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n(C)n1 744285144 YDIODXNTRLPZES-UHFFFAOYSA-N 449.250 4.415 5 20 IIBD C[C@@H](OC(=O)[C@@H](C)c1ccc(Br)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1 745640231 SETGCBDMVXWYQG-VHSXEESVSA-N 427.276 4.093 5 20 IIBD CCOC(=O)c1cc(C(=O)O[C@@H](C)c2nc(-c3ccccc3C)no2)cc([N+](=O)[O-])c1 746059498 KSDBQAWAHXPFSQ-ZDUSSCGKSA-N 425.397 4.048 5 20 IIBD C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN(Cc2ccc3ccccc3c2)C2CC2)C1=O 746708530 XJYPFFDUHMHIHN-VWLOTQADSA-N 444.491 4.137 5 20 IIBD COc1ccc(-c2csc(CNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)c2)cc1 746884398 UNKHUPDOXUYHGA-UHFFFAOYSA-N 427.438 4.479 5 20 IIBD C[C@H](OC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 747520069 IMVVEQMHQIKITL-MZPVMMEZSA-N 433.258 4.031 5 20 IIBD Cc1nc(C)c(C(=O)O[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)o1 748207259 LXXKUBUMLXSHNP-GOSISDBHSA-N 429.816 4.390 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc(F)c(F)cc1Br 750196734 QDURLTDASDIDDF-UHFFFAOYSA-N 440.156 4.043 5 20 IIBD C[C@@H](OC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1nc2cc(Cl)ccc2n1C 750219599 DLSWIFTVPBMHAS-GFCCVEGCSA-N 425.832 4.239 5 20 IIBD Cc1ccc(F)cc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F 751690347 IHEDMMYNLPWACF-SECBINFHSA-N 443.200 4.128 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2cccc(-c3cn4cccnc4n3)c2)cc1[N+](=O)[O-] 752196567 XDRMAWVUSKZTGE-UHFFFAOYSA-N 443.872 4.067 5 20 IIBD CCN(C(=O)COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)[C@H](C)c1ccc(F)cc1 754988299 MAMBEWCPMYRODR-LLVKDONJSA-N 426.803 4.293 5 20 IIBD C[C@@H](OC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1cccc(Br)c1 755059799 HBCLYBCPZFJSJO-GHMZBOCLSA-N 439.237 4.170 5 20 IIBD CC(=O)Nc1cccc(NC(=O)[C@@H](OC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C(C)C)c1 755069653 XDXQNTJVSVNUIC-RBZFPXEDSA-N 445.447 4.002 5 20 IIBD CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1 755515007 IYYGDZCGRYBDIM-AWEZNQCLSA-N 433.892 4.034 5 20 IIBD CCOc1cc(COC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)ccc1[N+](=O)[O-] 755534736 DTFDTBBGWUIWHZ-INIZCTEOSA-N 445.447 4.120 5 20 IIBD O=C(COC(=O)c1cc(Br)cc(C(F)(F)F)c1)Nc1ccccc1[N+](=O)[O-] 756283492 BIQVGWQTYNGFMO-UHFFFAOYSA-N 447.163 4.172 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 762472840 AVGRQJIERHSTMH-QFIPXVFZSA-N 437.512 4.165 5 20 IIBD O=C(Nc1nnc([C@H]2CCCc3ccccc32)s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 762515212 TZTOZXKNXDYAGA-INIZCTEOSA-N 425.426 4.075 5 20 IIBD CC(C)(C(=O)OCc1cccc(C(=O)N2CCCCC2)c1)c1ccc([N+](=O)[O-])cc1F 762978142 DLGHZILMWJMPBA-UHFFFAOYSA-N 428.460 4.381 5 20 IIBD O=Cc1ccc(OCC(=O)N2CC=C(c3ccccc3C(F)(F)F)CC2)c([N+](=O)[O-])c1 763844047 XHNUJEUCELVNCL-UHFFFAOYSA-N 434.370 4.121 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCCCC[C@@H]1C[C@H](O)c1ccccc1 764395562 TVIWVZWKIXTLRA-OFNKIYASSA-N 434.496 4.289 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)OCCCc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 766668318 QZRCYGSRTYMICQ-UHFFFAOYSA-N 432.281 4.095 5 20 IIBD COc1ccccc1N1C(=O)/C(=C\c2ccc([N+](=O)[O-])c(OC)c2)c2ccccc2C1=O 770569916 XTXNZBQGZOPYHX-AQTBWJFISA-N 430.416 4.340 5 20 IIBD COc1c([N+](=O)[O-])ccc(/C=C2/C(=O)N(c3ccccc3C)C(=O)c3ccccc32)c1O 772176800 QFBLDEHALHVBIZ-QGOAFFKASA-N 430.416 4.345 5 20 IIBD CC1(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN(Cc2ccccc2)CC1 772718498 KHTDJZVPJTUMKR-UHFFFAOYSA-N 445.903 4.032 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCc1ccc(Br)c([N+](=O)[O-])c1 773459080 OZBCAKYLPGMNQN-UHFFFAOYSA-N 434.202 4.033 5 20 IIBD C[C@@H]1C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C 773820058 RNCCBZLLAXPSNS-DGCLKSJQSA-N 431.411 4.131 5 20 IIBD C[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(NC(=O)Cc2ccccc2F)c1 774988384 ACILQPJNBSUEBW-MWTRTKDXSA-N 437.471 4.299 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCc2ncc(NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)cc2C1 777007609 OAHQVCQAKKNVSL-KOJMWDNASA-N 438.484 4.024 5 20 IIBD COc1cc(CNC[C@@H](O)c2ccc3ccccc3c2)c([N+](=O)[O-])cc1OCC(F)F 779070754 BALXRZQCECZRQU-LJQANCHMSA-N 432.423 4.224 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N(c1cccc([N+](=O)[O-])c1)C1CCCC1 781652495 YEWMGICGNXWTCE-UHFFFAOYSA-N 428.401 4.320 5 20 IIBD O=C(OCc1cc(=O)oc2cc3c(cc12)CCC3)c1cccc([N+](=O)[O-])c1Br 781676614 TXYKEVXTDIUQML-UHFFFAOYSA-N 444.237 4.309 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC[C@@H](c1cccc(Cl)c1)N1CCCC1 781941985 WLXXJKWRUSXFOG-FQEVSTJZSA-N 446.891 4.042 5 20 IIBD C[C@@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(S(C)(=O)=O)cc1 783317972 YFWQDDOESRFUMQ-GFCCVEGCSA-N 432.479 4.040 5 20 IIBD Cc1cc2oc(=O)cc(Cn3cc([N+](=O)[O-])c(C)c(Br)c3=O)c2cc1C(C)C 783924840 PDQUFWPQYFZGHG-UHFFFAOYSA-N 447.285 4.414 5 20 IIBD O=C(NS(=O)(=O)Cc1cccc(F)c1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 785240450 NDYMAGAAEQVESG-UHFFFAOYSA-N 438.502 4.028 5 20 IIBD Cc1ccccc1-n1ncc(C(=O)OCC(=O)Nc2c(C)cccc2[N+](=O)[O-])c1C(C)C 791742183 UMPHJTVZUAKEEM-UHFFFAOYSA-N 436.468 4.316 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)N(C)CCc3ccccc3[N+](=O)[O-])cc2F)C[C@@H](C)O1 796586520 BSUZCOJWXPOWHD-IYBDPMFKSA-N 430.480 4.054 5 20 IIBD COc1ccc(-c2cc(C(=O)N(C)c3ccc([N+](=O)[O-])nc3)c3ccccc3n2)cc1OC 798242079 QUMHZNJANMMUAW-UHFFFAOYSA-N 444.447 4.499 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccccc2SC[C@@H](O)c2ccccc2)c1 799528186 UPHUKROAJCUOHY-LJQANCHMSA-N 430.507 4.221 5 20 IIBD CCC(=O)c1cc(C(=O)Nc2ccc([N+](=O)[O-])c(I)c2)ccc1F 801699307 DNCKKGLRHLYMME-UHFFFAOYSA-N 442.184 4.184 5 20 IIBD COC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)OC(=O)c1cc([N+](=O)[O-])cc(C)c1F 803457529 NKVPIASJGUVLNN-HNNXBMFYSA-N 429.322 4.002 5 20 IIBD CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 805298241 PMAWXQQUUYVHQA-AWEZNQCLSA-N 443.903 4.226 5 20 IIBD CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1cccc2c1CCCN2C(=O)OC(C)(C)C 808101450 ZJHXQYNUIRJGHV-UHFFFAOYSA-N 440.500 4.254 5 20 IIBD Cc1ccc([C@H](C)NC(=O)[C@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] 808487567 CIKPMBYLTLILNP-DJJJIMSYSA-N 445.438 4.270 5 20 IIBD O=[N+]([O-])c1ccc(N2CCCCC2)c(-c2nc(-c3ccc(N4CCOCC4)cc3)no2)c1 809333664 WBMLHWKOYNAXBC-UHFFFAOYSA-N 435.484 4.139 5 20 IIBD Cc1cc(NC(=O)c2cc(Cl)ncc2Br)n(-c2ccc([N+](=O)[O-])cc2)n1 810324217 GGSHPZOHVFRUBZ-UHFFFAOYSA-N 436.653 4.152 5 20 IIBD COC(=O)c1ccc(Cl)c(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 811293030 YXROENSSEQEQMN-SNVBAGLBSA-N 431.788 4.003 5 20 IIBD COc1ccc([C@H](O)C2CCN(c3ncc([N+](=O)[O-])c(C)c3Br)CC2)cc1 812481419 ZDXMAUZSSBJEAU-SFHVURJKSA-N 436.306 4.019 5 20 IIBD CO[C@](C)(C(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CC1 812664455 JCZPKLKEULHHPN-RXVVDRJESA-N 432.860 4.286 5 20 IIBD COCc1ccccc1/C=C(\C)COC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 816188513 COLDSOPYWAGQSM-NKAIQICCSA-N 444.509 4.054 5 20 IIBD CS(=O)(=O)C[C@@H]1CCN(C(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)C1 816996965 WNYCNRPXUHNZPE-QGZVFWFLSA-N 447.556 4.440 5 20 IIBD C[C@@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 819468671 MDGIKMYTBYFEHK-QGZVFWFLSA-N 446.511 4.147 5 20 IIBD CC(=O)c1cc(Br)ccc1OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 849372937 VVTWAHPYIFIRHE-UHFFFAOYSA-N 427.638 4.231 5 20 IIBD CCN(Cc1cc(Br)ccc1F)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 914479498 BGYMDHLMQIINLL-UHFFFAOYSA-N 426.198 4.067 5 20 IIBD O=C(COC(=O)/C=C\c1ccccc1OC(F)(F)F)Nc1ccc([N+](=O)[O-])cc1Cl 914937741 JTUNREMBSJQIEI-YVMONPNESA-N 444.749 4.342 5 20 IIBD CC(C)N(Cc1ccc(Br)cc1)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 915115172 FMZKDCBYTIVXAA-UHFFFAOYSA-N 431.290 4.144 5 20 IIBD CCC[C@@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccccc1 917225238 QTQQDASOMOCUNJ-HXUWFJFHSA-N 425.485 4.009 5 20 IIBD C[C@@H]1CCN(C(=O)COC(=O)c2cc3cc([N+](=O)[O-])ccc3[nH]2)c2ccccc2S1 917329550 JBIVYVHRWAJKHG-CYBMUJFWSA-N 425.466 4.150 5 20 IIBD O=C(CCCOc1ccc(I)cc1)Nc1cc([N+](=O)[O-])ccc1F 919985121 AQUCZBLKUYJLBC-UHFFFAOYSA-N 444.200 4.136 5 20 IIBD CN(C)C(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1Cl 920014414 YNQPGPFAZRUWEU-UHFFFAOYSA-N 430.892 4.193 5 20 IIBD Cn1c(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] 920819886 PEHIJYSRBKLEPU-UHFFFAOYSA-N 432.358 4.457 5 20 IIBD O=[N+]([O-])c1ccc(Br)c(CN2CCc3c(ncn3-c3ccc(F)cc3)C2)c1 929070642 YHCKTEIHDRJFLT-UHFFFAOYSA-N 431.265 4.240 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1ccc(SC(F)(F)F)cc1 1116014181 ICXSWIVULCEBGP-UHFFFAOYSA-N 430.360 4.045 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCO[C@H](c2ccc(Cl)s2)C1 1116168453 XMODGTBCCRTFQU-HZMBPMFUSA-N 431.297 4.331 5 20 IIBD Nc1c(C(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)cc(Br)cc1[N+](=O)[O-] 1340049639 DYTZMACDJGUKAB-AWEZNQCLSA-N 426.217 4.195 5 20 IIBD Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])[nH]4)CCC3)cc2)cc1 1787773138 HIFDRAFMALJMPK-UHFFFAOYSA-N 432.480 4.222 5 20 IIBD CC(C)O[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2)CCC1 1790697362 DWIVQZYDNQGUTN-OAHLLOKOSA-N 443.475 4.295 5 20 IIBD C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3nc[nH]c3[N+](=O)[O-])CCC2)cc1)c1ccccc1 1791337300 FDHRHNYQTCXQFJ-INIZCTEOSA-N 447.495 4.259 5 20 IIBD CCO/C=C/C(=O)Nc1ccc(C2(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)CCC2)cc1 1791741170 MJBCDAKELDMSRI-DHZHZOJOSA-N 427.432 4.032 5 20 IIBD CC(C)/C=C/C(=O)Nc1ccc(C2(NC(=O)c3cc([N+](=O)[O-])cc4c3OCC4)CCC2)cc1 1792060976 CKYWJYZXSULVBW-RUDMXATFSA-N 449.507 4.490 5 20 IIBD Cc1cc(Cl)ccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C2 1792738092 AXWHDMVHRHRYNU-BCDXTJNWSA-N 445.878 4.261 5 20 IIBD Cc1cc(CCCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2(C)CCC2)C3)c([N+](=O)[O-])cc1F 1793402726 LECUHROODFPIPW-REPLKXPHSA-N 445.535 4.193 5 20 IIBD CCCC(=O)N1CC[C@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)[C@@H]1c1cccnc1 1811794177 IXDRUCXUXQJCQA-IERDGZPVSA-N 444.919 4.071 5 20 IIBD Cc1csc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)c1 1824674583 XAVVGLDPJNCOAA-INIZCTEOSA-N 431.514 4.105 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@@H]2CCCCN2C(=O)C2(F)CCCCC2)CC1 1828407782 AAVOPKOEJODRTC-KRWDZBQOSA-N 435.496 4.094 5 20 IIBD O=C([C@H]1CCC(F)(F)C1)N1CC2(CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 1845738105 AMCVPZIGDCJPDC-ZDUSSCGKSA-N 449.479 4.062 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OC(F)F 8854281 QUIHDQXYNRCOPU-SECBINFHSA-N 444.774 4.042 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 10365488 KBLQIRGZIODDTQ-UHFFFAOYSA-N 439.428 4.304 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc1[N+](=O)[O-] 14346418 FVGGIMUXNFZCNZ-UHFFFAOYSA-N 443.462 4.120 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1cnc(Cl)c(Cl)c1)c1ccccc1[N+](=O)[O-] 16144607 ZHJJBUXSHJCNHC-CQSZACIVSA-N 426.256 4.109 5 20 IIBD CC(C)(C)c1ccc(C(=O)OCC(=O)Nc2ccc(N3CCCC3)cc2)cc1[N+](=O)[O-] 18456592 KNOBJJXJCGYDJS-UHFFFAOYSA-N 425.485 4.288 5 20 IIBD CN(Cc1cccs1)C(=O)COC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 22826465 QUSRBOZFRWXTPB-UHFFFAOYSA-N 439.493 4.084 5 20 IIBD CCc1ccc(-c2csc(NC(=O)c3nnn(-c4cccc([N+](=O)[O-])c4)c3C)n2)cc1 24495226 JGZYDXRQGDMJAH-UHFFFAOYSA-N 434.481 4.422 5 20 IIBD O=Cc1cc([N+](=O)[O-])ccc1OCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 24636720 LIQXSVWPFBSLJG-INIZCTEOSA-N 441.490 4.287 5 20 IIBD Cc1sc2ncn(CCC(=O)Nc3ccccc3[N+](=O)[O-])c(=O)c2c1-c1ccccc1 26034071 KVLNSGXZSGQBLI-UHFFFAOYSA-N 434.477 4.370 5 20 IIBD COc1ccc(CCNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)cc1 28883043 CPZDCPJRRUYUPW-UHFFFAOYSA-N 429.523 4.492 5 20 IIBD O=C(Nc1ccccc1CN1C(=O)CCC1=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 63324074 VLEQZONJDQUAGK-UHFFFAOYSA-N 444.447 4.240 5 20 IIBD Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1N1CCCC1 110323174 SDKBGAYBLUXPTN-QFIPXVFZSA-N 436.512 4.055 5 20 IIBD O=c1c(Cl)c(NCCNc2cccc3ccccc23)cnn1-c1ccc([N+](=O)[O-])cc1 301170663 JXRJRLCEAJLDNE-UHFFFAOYSA-N 435.871 4.471 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CCN(Cc2cccc3ccccc23)CC1 301335525 CTAVAZMRWRYHDQ-UHFFFAOYSA-N 432.480 4.027 5 20 IIBD CCOc1ccc(C2(CNc3c(Br)cncc3[N+](=O)[O-])CCOCC2)cc1 301902379 WIQVLPVRUOFSLS-UHFFFAOYSA-N 436.306 4.311 5 20 IIBD COc1cc(Nc2ncc([N+](=O)[O-])cc2Br)cc(OC)c1Br 302001335 JFLFTUIRXINYDV-UHFFFAOYSA-N 433.056 4.276 5 20 IIBD CCOc1cccc(N2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)c1[N+](=O)[O-] 302229089 RCMMBZDTTUZKEZ-ZDUSSCGKSA-N 449.305 4.006 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 302817380 WPNNDBAACJKWMT-UHFFFAOYSA-N 427.482 4.041 5 20 IIBD CC(=O)NCc1ccc(-c2csc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])n2)s1 303337265 DTKQLKQCCPXYSX-UHFFFAOYSA-N 436.902 4.322 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)c1cnn(-c2ncccc2Cl)c1C(F)(F)F 409899124 CFXMSUINEMKYRO-UHFFFAOYSA-N 429.717 4.239 5 20 IIBD CCN(C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)[C@@H](C)Cc1ccsc1 426297999 HCNDPFWQCKIATK-ZDUSSCGKSA-N 431.543 4.029 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3cnn(-c4ccccc4)c3C)cc2)c(C)c1[N+](=O)[O-] 435380219 QCIOUXJBMMVRLI-UHFFFAOYSA-N 430.468 4.203 5 20 IIBD CC(=O)c1ccc(OCC(=O)NCc2ccc(COc3ccccc3)cc2)c([N+](=O)[O-])c1 440879991 XDXNXPMQRBVBOR-UHFFFAOYSA-N 434.448 4.072 5 20 IIBD C[C@@H](Nc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)O)c1)c1ccccc1 443527174 GYIOFNQMCNRCKH-CQSZACIVSA-N 441.465 4.267 5 20 IIBD CCN(CC)[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)CC(C)C 444013739 YCXCGNINELHHDK-INIZCTEOSA-N 429.511 4.446 5 20 IIBD Cc1noc(COc2ccc(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)cc2)n1 444022738 LZVQPBDYSCOERG-UHFFFAOYSA-N 426.432 4.204 5 20 IIBD C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)Oc1cccc(F)c1 444092881 GVWWSAYFNURUSD-LBPRGKRZSA-N 426.394 4.296 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@@H](CCO)c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 444571066 BVNMBBOSNZDAKU-FXAWDEMLSA-N 434.496 4.059 5 20 IIBD CCCOc1cc(NC(=O)C(=O)Nc2cc(C)cc(F)c2)c([N+](=O)[O-])cc1OCCC 446874669 WWLJHMSQUTXORZ-UHFFFAOYSA-N 433.436 4.197 5 20 IIBD C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 460597452 MNCMKMJZSWAEBS-CYBMUJFWSA-N 436.281 4.015 5 20 IIBD O=C(Nc1ncc(-c2ccc(Cl)cc2)s1)c1cccc([N+](=O)[O-])c1N1CCOCC1 461097786 KWQFRSJGVOESMS-UHFFFAOYSA-N 444.900 4.461 5 20 IIBD C[C@@H]1[C@@H](c2ccccc2)CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 461589163 VUQGXURPHFYGHU-HMFYCAOWSA-N 433.512 4.272 5 20 IIBD COc1ccc([C@@H]2CCN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C2)cc1 462268591 PYQMJUAVXVRTLU-GFCCVEGCSA-N 431.297 4.088 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N1CCC(C(F)(F)F)CC1 462928510 RWDTXRKODRGYBD-UHFFFAOYSA-N 429.420 4.174 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC=C(c2c(C)[nH]c3ccccc23)CC1 464047871 YAMZXLAGHVWUHV-UHFFFAOYSA-N 432.480 4.256 5 20 IIBD O=C(Nc1nc2ccc(Br)cc2[nH]1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 464567916 GQHSAZJXYJEMCA-UHFFFAOYSA-N 430.262 4.086 5 20 IIBD C[C@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])c1cccc(NC(=O)c2ccccc2)c1 465561045 DSFAXNINIMLBAE-KRWDZBQOSA-N 432.480 4.450 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CNc3ccc(I)cn3)cs2)c1 466967696 QBEXJRGPOGYRJZ-UHFFFAOYSA-N 438.250 4.330 5 20 IIBD Cc1ccccc1-n1nc(C)c(CN(C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1C 467192195 SOGQGAATCJNNKN-LJQANCHMSA-N 435.528 4.473 5 20 IIBD Cc1c(C(=O)N2CCN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)CC2)sc2ccccc12 470119634 ITKCMIPGHYMTOZ-UHFFFAOYSA-N 442.472 4.247 5 20 IIBD COc1ccc(CSCC(=O)N[C@H](c2ccc(C)cc2)c2ccccn2)cc1[N+](=O)[O-] 471389997 LFJDAAWSFCUMMM-HSZRJFAPSA-N 437.521 4.446 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)Nc1ccc(N2CCCCC2)c2ncccc12 473036264 MSUQNGLBXWMPRE-UHFFFAOYSA-N 447.495 4.327 5 20 IIBD CCC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1)C(=O)Nc1cccc(N2CCCC2)c1 473771283 YFPBLYGMJVJAFG-FQEVSTJZSA-N 439.516 4.432 5 20 IIBD O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1cc2cc([N+](=O)[O-])ccc2o1 475076781 CPLMALAAKVVWML-AWEZNQCLSA-N 434.235 4.183 5 20 IIBD COC(=O)[C@@H]1CCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C[C@@H]1C 475389502 IZRVKOUSKIZCCW-JNAXZKDPSA-N 445.903 4.059 5 20 IIBD COC(=O)[C@](C)(NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1ccc(Cl)c(Cl)c1 479247392 CJGODOVUSAWAHR-LJQANCHMSA-N 436.251 4.201 5 20 IIBD O=C(NCc1ccc(F)cc1C(F)(F)F)C1CCN(c2ccccc2[N+](=O)[O-])CC1 479570638 XXGORKKNQXUXFM-UHFFFAOYSA-N 425.382 4.286 5 20 IIBD CCO[C@H]1C[C@@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C12CCCCC2 479833070 XLPHKXVLWFTSAA-SJORKVTESA-N 430.423 4.394 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@H]3CCCc4c[nH]nc43)c([N+](=O)[O-])c2)c(C)c1 481808591 FYRZAGSWMSCUJG-IBGZPJMESA-N 441.513 4.225 5 20 IIBD CC(C)n1cc2c(n1)C[C@H](NC(=O)c1ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c1)CC2 481891369 JSNKTUFGEZMNSX-VQIMIIECSA-N 448.527 4.228 5 20 IIBD CC(C)n1ncc2ccc(NS(=O)(=O)c3ccc(Br)cc3[N+](=O)[O-])cc21 485079497 PBBWQQOTQLQYCI-UHFFFAOYSA-N 439.291 4.089 5 20 IIBD C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1sc(Br)cc1[N+](=O)[O-] 485913461 MRXNCZQBSIUGTC-CYBMUJFWSA-N 438.347 4.155 5 20 IIBD COc1cc([C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C(F)(F)F)cc(OC)c1OC 486834358 DSZUKEMIWJBJLU-MRXNPFEDSA-N 429.351 4.046 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])NC1(c2cccc(C(F)(F)F)c2)CCOCC1 486909235 UWEXTZOJDPTUOZ-UHFFFAOYSA-N 438.402 4.205 5 20 IIBD CC[C@@H]1Oc2cc([C@@H](C)NC(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)ccc2NC1=O 489442137 UPFHKEVZRXSMBO-KSMMKXTCSA-N 426.473 4.134 5 20 IIBD C[C@@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1OCc1ccccc1 490174160 KZZHDKRDAQAEKV-GOSISDBHSA-N 447.491 4.171 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1nc2c(Br)cccc2s1 494082292 COXRAXKIBBUPLI-UHFFFAOYSA-N 447.274 4.165 5 20 IIBD CCOc1cc(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)ccc1OC 495215878 TXEZTINQPPOVDO-UHFFFAOYSA-N 427.379 4.020 5 20 IIBD CC(C)N(Cc1cc(Br)ccc1F)C(=O)COc1ccccc1[N+](=O)[O-] 499258310 ZNGHVDUABLAYRC-UHFFFAOYSA-N 425.254 4.312 5 20 IIBD CCN(Cc1ccc(OC)cc1OC)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 499361559 XZYJBRZHVSQMTK-UHFFFAOYSA-N 427.482 4.398 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(Cc2cnc([C@H]3CCCO3)s2)CC1 506790555 RFZNUEMTLRWZOY-QGZVFWFLSA-N 442.463 4.244 5 20 IIBD CCOC(=O)c1cnn(-c2cccc(NC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)c2)c1C 509950445 ZHUPZOGQXZEZFH-AWEZNQCLSA-N 437.456 4.148 5 20 IIBD Cc1noc(C2(C)CCN(c3c([N+](=O)[O-])cnc4ccc(Br)cc34)CC2)n1 511326500 OTCJPABFRMNDAG-UHFFFAOYSA-N 432.278 4.155 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CC[C@](F)(c2cccc(Cl)c2)C1 512403815 FMBXEXLQORHIEJ-OAQYLSRUSA-N 447.850 4.034 5 20 IIBD COc1ccc(CCNC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1OC 512503057 FRLUVAJGRKLHLH-CALCHBBNSA-N 441.528 4.067 5 20 IIBD C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 513627086 KKBHDMDGWJLXJB-JTQLQIEISA-N 443.308 4.065 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(COc2ccc(Cl)cc2)o1 514295894 WSJYBXNKTXUYSN-UHFFFAOYSA-N 434.861 4.249 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3nc(N4CCCC4)sc3c2)c1C 514326129 ZRDZGJCEWSRZTK-UHFFFAOYSA-N 432.527 4.222 5 20 IIBD COc1ccc(CNC(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)cc1[N+](=O)[O-] 515795169 VSZKBZWZRVVFTG-UHFFFAOYSA-N 440.500 4.106 5 20 IIBD CCOc1cc(NC(=O)C(=O)N(C)[C@@H](C)c2ccc(C)cc2C)c([N+](=O)[O-])cc1OCC 516080179 JGRMRYUYIRXCJS-INIZCTEOSA-N 443.500 4.167 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)c1C 517489275 JETYIMJWGRFJMY-UHFFFAOYSA-N 426.498 4.212 5 20 IIBD CCCOc1cc(NC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)c([N+](=O)[O-])cc1OCCC 522090942 ATHUKFDNRSUVGF-OAHLLOKOSA-N 431.493 4.307 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)ccc1[N+](=O)[O-] 522569341 LLRJLIKFWVCPOK-NRFANRHFSA-N 446.463 4.334 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 524339672 GPNBJHXOLNJCAS-UHFFFAOYSA-N 447.535 4.357 5 20 IIBD COc1ccc([C@@H](NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c2ccc(F)cc2)cc1 531148650 ARXFGKIMMQGCGU-DEOSSOPVSA-N 435.455 4.011 5 20 IIBD COc1cc(-c2noc(-c3ccc([N+](=O)[O-])cc3Br)n2)cc(OC)c1OC 532607693 BBFIDKWGVTVXSN-UHFFFAOYSA-N 436.218 4.100 5 20 IIBD COc1ccc([C@@H](NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)c2ccccc2OC)cc1 533565627 PBZQPCRRLMFRSN-XMMPIXPASA-N 436.464 4.069 5 20 IIBD O=c1ccc([N+](=O)[O-])cn1CCSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1 534199663 UWKBXANKBXWTAC-UHFFFAOYSA-N 443.872 4.043 5 20 IIBD C[C@H](c1ccccc1)n1c(SCCn2cc([N+](=O)[O-])ccc2=O)nnc1-c1ccccc1 534934526 OAEBFAOLDAQRTQ-QGZVFWFLSA-N 447.520 4.417 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)cc1SC 537590749 OQDJXGHGPFJRGO-NSHDSACASA-N 439.896 4.127 5 20 IIBD COCCOc1c(Cl)cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1Cl 538016451 IFTPUQJRZJSFLA-UHFFFAOYSA-N 435.285 4.036 5 20 IIBD Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1[N+](=O)[O-] 538018878 YASKJFPPXVKWJY-DLBZAZTESA-N 443.525 4.387 5 20 IIBD C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 542190692 QBOJLJBZSUWZLK-KHXSAUHESA-N 426.947 4.297 5 20 IIBD COc1ccccc1C1(CNC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)CCC1 545428277 GZPVGPBDUOVAQX-UHFFFAOYSA-N 448.523 4.317 5 20 IIBD CSCc1noc(CCc2nc(-c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3)no2)n1 546484772 DQFIVFYDZROMGJ-UHFFFAOYSA-N 439.453 4.468 5 20 IIBD CCCN(CCc1cccs1)C(=O)c1cc(I)cc([N+](=O)[O-])c1 547332877 XRBVHXPMYCUUAI-UHFFFAOYSA-N 444.294 4.356 5 20 IIBD O=C(Nc1ccc(CCC(=O)N2CCCC2)cc1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 549997929 LNIOLACGXIXZDM-UHFFFAOYSA-N 435.402 4.421 5 20 IIBD COc1ccc(CSCC(=O)Nc2c(C)cnc3c(OC)cccc23)cc1[N+](=O)[O-] 551307072 AMVCFTSFNDRZES-UHFFFAOYSA-N 427.482 4.341 5 20 IIBD CCc1ccc([C@H](Nc2cc(OC)cc(S(C)(=O)=O)c2)c2ccc([N+](=O)[O-])cc2)o1 552340129 KZWJFLRMXFDJTB-OAQYLSRUSA-N 430.482 4.364 5 20 IIBD COc1cc(CCNC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)ccc1Cl 566935881 LCVLFPCVUFKLIF-UHFFFAOYSA-N 442.903 4.091 5 20 IIBD CC(C)OCCCc1noc(-c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)n1 568339377 NHHDRKBGSKTPAX-UHFFFAOYSA-N 426.260 4.495 5 20 IIBD COc1ccccc1SCc1nnc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1C 569626568 PXEZADSSVLCSII-UHFFFAOYSA-N 425.514 4.193 5 20 IIBD CNC(=O)c1cc(Oc2cccc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)c2)ccn1 571531813 JZIGPOJSMRGTET-UHFFFAOYSA-N 426.816 4.047 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCc2ccc3cnn(C)c3c2)c([N+](=O)[O-])c1 574614781 OOPZESARERQFDW-UHFFFAOYSA-N 444.447 4.111 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCc4ccc(O)cc4C3)n2Cc2ccccc2)c1 580019385 SIUQNTDRHWQVJY-UHFFFAOYSA-N 427.464 4.170 5 20 IIBD CC1(C)C(=O)N[C@H]1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 583342254 XHBFTHAOSFGLDI-FQEVSTJZSA-N 439.537 4.123 5 20 IIBD CC(C)c1ccc(CN(C)C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 603470765 FJWGHXNQRNUYFV-UHFFFAOYSA-N 425.514 4.270 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 603565839 VTZDEZKLCGXAMR-INIZCTEOSA-N 438.267 4.154 5 20 IIBD CC1CCN(c2nnc(SCCc3ccc([N+](=O)[O-])cc3)n2Cc2ccco2)CC1 603724194 KACZXGYTOHATNB-UHFFFAOYSA-N 427.530 4.399 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 603974548 PYTSWLZVSRDRAX-UHFFFAOYSA-N 433.389 4.212 5 20 IIBD COc1cc([C@H](C)NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1OC1CCCC1 604036555 RWKIFGDHXJKOMF-HNNXBMFYSA-N 434.514 4.273 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccc3ncnc(O)c3c2)cc1[N+](=O)[O-])c1ccccn1 604500950 SFSGBPODXKROBO-ZDUSSCGKSA-N 430.424 4.064 5 20 IIBD CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1 604569979 BGNGLVSINRGWKY-UHFFFAOYSA-N 441.875 4.167 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CCC[C@@H]2C[C@H]2C[C@H]3CC[C@H]2C3)cc1[N+](=O)[O-] 608880313 CMCAMMNFDONLJB-CWLKWCNXSA-N 441.557 4.305 5 20 IIBD O=C(N[C@H](COc1ccccc1F)c1ccccc1)c1cc([N+](=O)[O-])cc2c1OCCO2 608938626 GJIXDRRAOLPKBK-LJQANCHMSA-N 438.411 4.055 5 20 IIBD CCCc1ccc(-c2cc(NC(=O)c3ccc(SC)c([N+](=O)[O-])c3)n(CCO)n2)cc1 608944475 NKJAYSUPNUYZTD-UHFFFAOYSA-N 440.525 4.377 5 20 IIBD O=C(CNc1ccccc1[N+](=O)[O-])N(CCCn1ccnc1)Cc1c(F)cccc1Cl 609526137 XVDUFEGYDIXKIG-UHFFFAOYSA-N 445.882 4.115 5 20 IIBD CSCCCCC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 610059168 DWGINLXGVWHQMP-UHFFFAOYSA-N 437.543 4.176 5 20 IIBD CC(C)(C)OC(=O)c1ccccc1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 615296142 OUFNLEXKQQBDLG-UHFFFAOYSA-N 426.469 4.276 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(OCc2cccc(F)c2)c1 619467128 PLCMBYJQHIEWJJ-UHFFFAOYSA-N 432.429 4.122 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCN[C@H](c2ccccc2Cl)C1 619777984 KOFWCYXVKIRFTL-KRWDZBQOSA-N 428.901 4.158 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl 727248868 GJJPLPNSRDFKLC-UHFFFAOYSA-N 445.259 4.086 5 20 IIBD COc1cccc(C2(C(=O)OCC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])CCCC2)c1 731260098 IYJGXIFLEGSYQE-UHFFFAOYSA-N 432.860 4.251 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2cn(C)nc2-c2ccccc2Cl)cccc1[N+](=O)[O-] 731260115 IQFWPLDZDHPHQL-ZDUSSCGKSA-N 442.859 4.141 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)NC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)cc1[N+](=O)[O-] 731288881 WGRYSWZKMWNRSQ-ZWKOTPCHSA-N 444.896 4.318 5 20 IIBD CC[C@H](C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)C(=O)Nc1cccc(N2CCCC2)c1 732028073 MOPCLDJHLUCXFS-BTYIYWSLSA-N 442.491 4.117 5 20 IIBD Cc1c(NC(=O)[C@@H](C)ONC(=N)c2ccccc2OCc2ccccc2)cccc1[N+](=O)[O-] 733305604 FBXPHFWYWGDAGZ-QGZVFWFLSA-N 448.479 4.356 5 20 IIBD O=C(NS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@]1(Cc2ccc(Cl)cc2)C[C@H]2CC[C@H]1C2 735766902 XPQNRGLCIBVMOW-QYWGDWMGSA-N 448.928 4.102 5 20 IIBD C[C@@H](OC(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)c1ccccc1[N+](=O)[O-] 744066811 WUOAIXDYSBAPJE-NVXWUHKLSA-N 443.525 4.151 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)c1 745385486 CRQIHLBKCIVQRG-QGZVFWFLSA-N 439.449 4.092 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 747140158 OHSDQUSCUFVTOS-OAQYLSRUSA-N 436.418 4.323 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 748010937 XUAWQSJYPMOVIE-UHFFFAOYSA-N 429.410 4.382 5 20 IIBD Cc1nn(CCC(=O)O[C@@H](c2ccccc2)c2nc(-c3ccccc3)no2)c(C)c1[N+](=O)[O-] 749053734 KLMKTCJLMYLTMU-NRFANRHFSA-N 447.451 4.181 5 20 IIBD CC(C)[C@H](CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)NC(=O)OC(C)(C)C 749503153 WIFBBCYVCOFJTR-IBGZPJMESA-N 448.564 4.206 5 20 IIBD O=[N+]([O-])c1ccc(Br)c2c1CN(c1ccc([N+](=O)[O-])c3cnccc13)CC2 750607843 GLWDYUYYTDOFCN-UHFFFAOYSA-N 429.230 4.376 5 20 IIBD Cc1noc([C@@H](OC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c2ccccc2)n1 750869503 MCLFBPHMXGIGIU-NRFANRHFSA-N 436.468 4.469 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 750924442 QYSQKTYVJLIJMP-NHYWBVRUSA-N 442.741 4.100 5 20 IIBD CCc1ccc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1N 751674227 OUQPDIUOIVJCKW-LBPRGKRZSA-N 440.481 4.047 5 20 IIBD COc1cc(N)c([N+](=O)[O-])cc1C(=O)O[C@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 753455159 AGSFCAGPRGERFD-QFIPXVFZSA-N 449.463 4.339 5 20 IIBD CCOc1cc(COC(=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)ccc1[N+](=O)[O-] 755510623 MPSXNTXMFLETMA-QFIPXVFZSA-N 434.448 4.208 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC2(CC1)OCCc1ccsc12 759053426 DNCSYUKUJDTKLT-UHFFFAOYSA-N 437.315 4.123 5 20 IIBD Cc1nn(C)c(C)c1[C@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(F)(F)F 760762890 IROVODJVZXOWCS-SFHVURJKSA-N 440.422 4.008 5 20 IIBD CCc1nc(C)c([C@@H](C)N(C)S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)s1 760857999 NTSWTJUGDHHOGC-SNVBAGLBSA-N 448.364 4.066 5 20 IIBD O=[N+]([O-])c1ccc(NCc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c([N+](=O)[O-])c1 761924433 JHKXKDFFJWHHMX-UHFFFAOYSA-N 446.416 4.055 5 20 IIBD COC(=O)c1ccc(-c2nc(COC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)cs2)cc1 763421311 TZIPFIXJGWXTSR-ZDUSSCGKSA-N 426.450 4.352 5 20 IIBD O=C(Nc1ccccc1C(=O)Nc1ccnn1CC1CC1)c1ccc([N+](=O)[O-])cc1Cl 763798039 OZXVNRBVDUFMBZ-UHFFFAOYSA-N 439.859 4.359 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc([C@H]2COCCN2C(=O)OC(C)(C)C)no1 764914168 AYLZQGOTDKWRTK-NVXWUHKLSA-N 432.477 4.023 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](C)C(=O)Nc1cc(Cl)ccc1OC 765523142 CUBPVUYPBHBHGD-ZFWWWQNUSA-N 434.876 4.396 5 20 IIBD COC(=O)C[C@@]1(NC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)CCOC1 768548354 TXURCZJRUBQQIX-MHZLTWQESA-N 443.499 4.385 5 20 IIBD Cc1ccc(Cc2nc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])cs2)cc1 768653378 RMZVSBRINBBYDI-AWEZNQCLSA-N 425.466 4.135 5 20 IIBD O=C(OC[C@H]1CCCN(C(=O)c2ccccc2)C1)c1cc(Br)cc([N+](=O)[O-])c1 770600910 JFLMHRBHHQKQPA-AWEZNQCLSA-N 447.285 4.067 5 20 IIBD COc1cccc([C@@H]2[C@H](C(=O)Nc3cc([N+](=O)[O-])c(Cl)cc3C)CC(=O)N2C2CC2)c1 776325856 OPDFCQRWTYPHLY-IIBYNOLFSA-N 443.887 4.256 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)OCc2nc3ccc(Br)cc3n2C)c1 777047168 IDLWCDKOQFRASS-UHFFFAOYSA-N 448.273 4.065 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC(c2c(C)[nH]c3ccccc23)CC1 777971622 KDTKSOVSSZGBEQ-UHFFFAOYSA-N 431.489 4.400 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1c1nc2ccccc2n1C(C)C 778012536 GMYOAESHILIPKG-SFHVURJKSA-N 446.504 4.499 5 20 IIBD C[C@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 779072692 LCACMEHHDHOOFZ-GOEBONIOSA-N 447.333 4.389 5 20 IIBD O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCC[C@H]2c2ccccc2C(F)(F)F)cc1 779891377 DWRXMFYUHBZKDE-SFHVURJKSA-N 428.432 4.323 5 20 IIBD CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1 781268982 UIWNVUCEIQLXEK-HNNXBMFYSA-N 428.444 4.068 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@@H]3CCC(=O)[C@@H](C)C3(C)C)CC2)ccc1[N+](=O)[O-] 781489263 KFFASMPRCAZVHG-QAPCUYQASA-N 432.517 4.147 5 20 IIBD CC(C)(C)OC(=O)N1Cc2ccc(CNC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)cc2C1 781582741 ZAAIJRQNQMTKIY-UHFFFAOYSA-N 445.903 4.358 5 20 IIBD C[C@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 781601792 UJOUKYGXGOXGAW-NSHDSACASA-N 427.335 4.212 5 20 IIBD C[C@H](OC(=O)C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1)c1ccccc1[N+](=O)[O-] 782859404 CAGYAXCYWQMJGB-KKSFZXQISA-N 434.448 4.466 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NOC[C@H]1CCOC1 788573389 DUYRELRSHFUYNF-FDIDWWNZSA-N 439.493 4.220 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)C(C)(C)c1ccc(OC(F)(F)F)cc1 789243953 YCIXEAXYMSNOAI-UHFFFAOYSA-N 440.374 4.261 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)c1F 790265733 VUFWEQNGODZPSZ-UHFFFAOYSA-N 427.354 4.150 5 20 IIBD COC(=O)c1ccc(C(F)(F)F)nc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 790283467 IKQLSHPPTCGXOA-UHFFFAOYSA-N 449.794 4.179 5 20 IIBD Cc1ccc(OCc2nc(CC(=O)OCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cs2)cc1 791639436 RLOYYOZWUCDWHJ-UHFFFAOYSA-N 443.437 4.133 5 20 IIBD COC(=O)[C@@H](Cc1ccc(C)cc1)S[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 794457649 SYIQZZRHCQVKGZ-SCLBCKFNSA-N 436.917 4.401 5 20 IIBD CCOc1ccc([C@@H](O)C2CCN(C(=O)CCOc3cc(C)ccc3[N+](=O)[O-])CC2)cc1 794535691 SYNYXQQZMFGQBJ-XMMPIXPASA-N 442.512 4.043 5 20 IIBD O=[N+]([O-])c1cccc([C@@H](O)CN(Cc2ccncc2)[C@@H]2CCCN(Cc3ccccc3)C2)c1 794801411 AKECRVGBLLDSBQ-FTJBHMTQSA-N 446.551 4.190 5 20 IIBD Cc1ccccc1-c1noc(C)c1C(=O)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 796216500 TZGNIVPRVWQTIV-UHFFFAOYSA-N 437.408 4.022 5 20 IIBD CC(C)c1[nH]nc(C(=O)OCc2cc(Cl)ccc2OCc2cccnc2)c1[N+](=O)[O-] 796257521 PJKPSWOKHNWJPC-UHFFFAOYSA-N 430.848 4.426 5 20 IIBD C[C@@H](OC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC(c1ccccc1)c1ccccc1 798128946 JWJNUURDDCEEHT-HGLWPWQMSA-N 430.460 4.446 5 20 IIBD C[C@H](COC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 800108696 DSFHVLWOEGTRDE-LLVKDONJSA-N 442.415 4.152 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(CCc1ccccc1)Cc1ccccc1 800597787 SJDNKCRCXYKIKR-UHFFFAOYSA-N 435.455 4.252 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cc(F)c(C(F)(F)F)cc1F 805594153 NDXYLTFYSNHMEJ-UHFFFAOYSA-N 429.257 4.299 5 20 IIBD CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)NCc3cccc([N+](=O)[O-])c3)cccc21 806615886 VJJJEDGCZSKBIU-UHFFFAOYSA-N 440.500 4.282 5 20 IIBD C[C@]1(c2ccc(F)cc2F)NC(=O)N(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1=O 809957233 WQJVAUPUZLYPAH-QGZVFWFLSA-N 430.194 4.147 5 20 IIBD O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 913137562 KAMZUZPVIRZSNE-FQEVSTJZSA-N 425.485 4.395 5 20 IIBD CCCN(CCC)C(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc1 916492204 RZDSQECQVORCOD-UHFFFAOYSA-N 428.445 4.326 5 20 IIBD O=C(COC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)N[C@H](Cc1ccccc1)c1ccccc1 917332810 ZGLZAJSDZYJQMB-HXUWFJFHSA-N 443.459 4.333 5 20 IIBD Cc1ccc([C@H](NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2F)c2cccs2)cc1 919250751 VCPYHERQJAAZIB-FQEVSTJZSA-N 428.441 4.166 5 20 IIBD O=C(COC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 919367920 FOZHXMSLLDISHX-ZJUUUORDSA-N 442.312 4.464 5 20 IIBD COCCOc1c(Cl)cccc1N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 921198178 YRMOBOPBDHRRPM-NSHDSACASA-N 428.272 4.366 5 20 IIBD O=[N+]([O-])c1ccc(OCCSc2nnc(-c3ccncc3)n2Cc2ccccc2)cc1 921266172 KIOOSSORPQULJZ-UHFFFAOYSA-N 433.493 4.468 5 20 IIBD O=C(c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)N1CCc2nc[nH]c2C1 929081266 VLVVNDWOXGTFBP-UHFFFAOYSA-N 437.506 4.277 5 20 IIBD O=C(c1nc(-c2ccccc2)oc1C1CC1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1251406236 CEFUWSIBPDYCEJ-UHFFFAOYSA-N 432.480 4.085 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1254328934 RXCYKWJPWMMJEB-OAHLLOKOSA-N 427.892 4.256 5 20 IIBD COc1ccc([C@@H](NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c2ccc(OC)cc2OC)cc1 1318368560 DSLZFCOXRNUCEP-HSZRJFAPSA-N 436.464 4.448 5 20 IIBD C[C@H](Nc1ccc(C(=O)N(Cc2ccccc2)[C@H](C)CO)cc1[N+](=O)[O-])c1ccccn1 1321852547 DNIQDFXEPAHSGF-MSOLQXFVSA-N 434.496 4.186 5 20 IIBD O=C(N[C@@H](c1ccccc1)c1nnc(COc2ccccc2[N+](=O)[O-])o1)c1ccccc1 1328233326 SPNMWLVPTFPCJI-NRFANRHFSA-N 430.420 4.076 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 1334110781 NXIXDMCHLJEMCK-LBPRGKRZSA-N 429.274 4.253 5 20 IIBD O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1338692213 ZWYGHVJICWHQTG-RBUKOAKNSA-N 434.323 4.350 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)N1CCCN2CCC[C@H]2C1 1341375147 BBHKVOVCAAGHQA-SFHVURJKSA-N 428.920 4.171 5 20 IIBD CN1CCC(N2CC[C@@H](N(C)Cc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2)CC1 1347220265 AFERJSKREORCNY-GOSISDBHSA-N 432.952 4.109 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccsc1)c1cc2cc([N+](=O)[O-])ccc2s1 1794988304 LRBRZJJCKINBEY-MUJYYYPQSA-N 441.534 4.437 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1)c1ccc(Cl)cc1 1820559883 KNUBDNCROJUXQS-OAHLLOKOSA-N 443.847 4.184 5 20 IIBD C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1)c1cccs1 1822702191 HTFUWEIHYBEDMI-JSGCOSHPSA-N 443.485 4.082 5 20 IIBD CC(C)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])n[nH]1 1823501382 RMXXLJCNPJHBAL-GNISGLHKSA-N 425.489 4.070 5 20 IIBD CCCCC[C@@H](C)C(=O)N1CC2(CCCN2C(=O)CSc2ccccc2[N+](=O)[O-])C1 1846303637 AMACNTBRYHOKGU-QGZVFWFLSA-N 433.574 4.107 5 20 IIBD O=C(COC(=O)COc1ccccc1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl 10593401 QTNWNOPBTOJGPF-UHFFFAOYSA-N 440.839 4.476 5 20 IIBD C[C@@H](OC(=O)c1cc2ccccc2[nH]1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 11226227 GFQXKWIQEPBGRE-GFCCVEGCSA-N 436.449 4.384 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)OCCOc2cccc(Br)c2)cc1OC 19357856 JEMJULZXBWVSDX-UHFFFAOYSA-N 440.246 4.000 5 20 IIBD O=C(COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc2c(c1)OC1(CCCC1)O2 21467165 HXJYFPVRIRMKER-UHFFFAOYSA-N 432.816 4.085 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(NC2CCCCC2)s1 28389616 AOLPIPQCRFJYRH-NSHDSACASA-N 437.547 4.319 5 20 IIBD C[C@H](OC(=O)Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 28669598 ZIZNDRZTIDKIOZ-JTQLQIEISA-N 430.766 4.380 5 20 IIBD CN(C)C(=O)c1ccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 30946818 GOKLKRVHOQYKRT-UHFFFAOYSA-N 427.404 4.046 5 20 IIBD COc1ccccc1NC(=O)C1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 301666815 MBPXUBYLQMURIV-UHFFFAOYSA-N 434.290 4.221 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(c2c[nH]c3cc(F)ccc23)CC1 303464344 MFGRSOFSMIMWRA-UHFFFAOYSA-N 426.448 4.042 5 20 IIBD Cc1cc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc(C)c1Br 426178620 ADHKLGRLIRRCTQ-UHFFFAOYSA-N 446.301 4.104 5 20 IIBD COc1ccc(Br)c(CN(C)C(=O)CSc2ccc([N+](=O)[O-])cc2)c1 428223891 PVJLJVFDWOXZQD-UHFFFAOYSA-N 425.304 4.117 5 20 IIBD Cc1c(NC(=O)C(=O)N2CCC[C@@H]2c2ccsc2)cc(Br)cc1[N+](=O)[O-] 430328734 FWTXSMMTWFFIGI-CQSZACIVSA-N 438.303 4.029 5 20 IIBD CCOC(=O)c1n[nH]c(-c2cccc(CNc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)c2)n1 432936568 GXJDVZSNGGYXND-UHFFFAOYSA-N 435.362 4.188 5 20 IIBD C[C@@H](c1cccnc1)N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435487398 RBFSJNYDBGUIGW-ZDUSSCGKSA-N 442.522 4.361 5 20 IIBD CC(C)(C)C[C@@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccc(F)cc1 435549400 AIOKSWNBQASFSR-QGZVFWFLSA-N 441.459 4.295 5 20 IIBD CCn1c(S[C@H](Cc2ccc(F)cc2F)C(C)=O)nnc1-c1ccc([N+](=O)[O-])cc1 436204027 LLTNWNVFLOUNKK-GOSISDBHSA-N 432.452 4.444 5 20 IIBD Cc1ccc([C@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)S(C)(=O)=O)cc1 437345607 PEZHRPWWVGXMTE-OPAMFIHVSA-N 428.510 4.427 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)cc1 440847918 UPIWNZMVIIFWNS-UHFFFAOYSA-N 449.419 4.003 5 20 IIBD CC(C)C(=O)NC[C@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 442036916 WPOHEPVWZHFJNJ-QGZVFWFLSA-N 441.553 4.370 5 20 IIBD COc1cc(CN(C)[C@@H]2CCOc3ccc(Br)cc32)c([N+](=O)[O-])cc1F 445889397 ZLUYKJYJMAUPIF-OAHLLOKOSA-N 425.254 4.461 5 20 IIBD CCC(CC)(CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 460959616 QIQWXVWNZMOTMM-UHFFFAOYSA-N 442.559 4.247 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@@H]4CCC[C@H]43)cc2)cc1[N+](=O)[O-] 461489642 QOHUWMMUWZYCGP-OXJNMPFZSA-N 443.525 4.109 5 20 IIBD O=C(Nc1ccccc1)N1CCC[C@@H](C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)C1 461705862 SNRBREIMIRDMFZ-UTKZUKDTSA-N 440.525 4.113 5 20 IIBD O=C1Nc2cc(Cl)ccc2S[C@@H]1CC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 461711898 ZABQFTIZCDHCBM-VQIMIIECSA-N 449.941 4.325 5 20 IIBD O=C(Nc1ccc(Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)cc1)[C@H]1CCCO1 462504600 UKTLWTDHGIDZSD-HXUWFJFHSA-N 434.452 4.430 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(OC[C@H]3CCCCO3)CC2)nc1OCc1ccccc1 462505058 BLOKRXPZXWKOPE-HXUWFJFHSA-N 427.501 4.123 5 20 IIBD CC[C@H]1Oc2cc([C@@H](C)NC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])ccc2NC1=O 465356051 FDYSPKGSYSGPCG-SJKOYZFVSA-N 447.875 4.004 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1ccccc1-c1ccc(Cl)cc1 469390332 GAJNOPSQAWDVRS-LJQANCHMSA-N 441.919 4.464 5 20 IIBD COc1cc(C(=O)N(Cc2ccc3c(c2)OCO3)C2(C)CCCC2)cc([N+](=O)[O-])c1OC 472806018 RTIOTNFBBHHAFO-UHFFFAOYSA-N 442.468 4.316 5 20 IIBD Cc1cc(NC(=O)N2[C@H]3CC[C@H]2CC(O)(Cc2ccc(F)cc2F)C3)ccc1[N+](=O)[O-] 473773742 OZYPSKAPMMLLTJ-ROUUACIJSA-N 431.439 4.314 5 20 IIBD O=[N+]([O-])c1cc(F)cc(NS(=O)(=O)c2ccc(Br)cc2C(F)(F)F)c1 475789060 KHHQJFMQVKKGQE-UHFFFAOYSA-N 443.172 4.316 5 20 IIBD C[C@@H]1CN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C[C@@]2(CCOC2)O1 478414103 UAKCWBOKYUAARG-SPLOXXLWSA-N 448.928 4.419 5 20 IIBD Cc1c(CNC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)cccc1[N+](=O)[O-] 481469352 ZLPSITKNVCGGOJ-UHFFFAOYSA-N 439.781 4.086 5 20 IIBD CSc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)N2CCc3sccc3C2)cc1 484773522 BCORJTHLHNHXLT-SFHVURJKSA-N 442.566 4.236 5 20 IIBD O=C(c1cc(I)ccc1F)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 486021777 ZRCCLOLDPYTUMC-UHFFFAOYSA-N 440.212 4.143 5 20 IIBD Cc1cc(CN(CC(C)C)C(=O)Cc2cccc([N+](=O)[O-])c2C)nc(N2CCCCC2)n1 486045317 MLKAAWAPWLKONB-UHFFFAOYSA-N 439.560 4.219 5 20 IIBD COc1ccc(NC(=O)c2cccc(NC(=O)c3cccc(SC)c3[N+](=O)[O-])c2)cn1 486239890 NTEHJBYJEQCVKZ-UHFFFAOYSA-N 438.465 4.225 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCc1nc(-c2cccc(F)c2)no1 486510991 UQPNHNVKGGMYMP-UHFFFAOYSA-N 433.268 4.445 5 20 IIBD CC(C)(C)[C@@H]1C[C@@H](Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])CCO1 487076076 QFWVBOZSBYMLFF-JXFKEZNVSA-N 433.530 4.401 5 20 IIBD CCc1ccccc1NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC 491852405 OLQFNDOLVOOWGI-UHFFFAOYSA-N 429.292 4.038 5 20 IIBD COC(=O)c1cccc(NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1Br 492654095 NNMKQIZDNRUQBR-UHFFFAOYSA-N 432.230 4.411 5 20 IIBD COc1c(S(=O)(=O)Nc2c(C)cccc2Cl)cc(Br)c(C)c1[N+](=O)[O-] 493279859 JXOYQSOOAPQNJD-UHFFFAOYSA-N 449.710 4.437 5 20 IIBD COCCN(Cc1cc(Br)cs1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 494544174 DAFYLUDMYOKRCU-LBPRGKRZSA-N 442.335 4.338 5 20 IIBD CN(C)CCOC1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 498324052 NFMDJDDBWPTEMY-UHFFFAOYSA-N 447.919 4.223 5 20 IIBD C[C@@H](c1ccccc1C(F)(F)F)[C@@H](C)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 500442773 SVLCSAUYVFYQPQ-CHWSQXEVSA-N 433.390 4.116 5 20 IIBD CCOc1cc(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)ccc1OC(F)F 502249259 NOQUFADXAPFYAL-GFCCVEGCSA-N 426.441 4.392 5 20 IIBD CC(=O)Nc1ccc(CCNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 504789864 KMIYTPBZVVRGEX-UHFFFAOYSA-N 441.431 4.023 5 20 IIBD CCOc1ccc([C@H](C)NCc2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)cc1[N+](=O)[O-] 504906579 ZYBIACKETKDLQR-KSZLIROESA-N 441.528 4.094 5 20 IIBD CCCC[C@@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 505517888 XESLIFAEKMXQFS-OAQYLSRUSA-N 438.528 4.431 5 20 IIBD CC(C)(CNC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccc(Br)cc1Cl 507162715 UKLZYRKBLVBEGW-UHFFFAOYSA-N 426.698 4.301 5 20 IIBD CCOc1cccc(NC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])c1 509923485 HFBYCDQNXAQJDH-UHFFFAOYSA-N 429.454 4.290 5 20 IIBD COc1cc(CN2CCC[C@H](c3ccnn3C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 510687083 XXRNSPIOERXXOC-FQEVSTJZSA-N 436.512 4.296 5 20 IIBD O=C(c1cccc2cccc(Br)c12)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 512718077 ILKFOLSAVGCBSO-AWEZNQCLSA-N 441.285 4.232 5 20 IIBD COc1ccc(NC(=O)CSc2ccccc2[N+](=O)[O-])cc1OCc1ccncc1 512836806 CFBWIYOCNHZPSY-UHFFFAOYSA-N 425.466 4.308 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(c2ccccc2F)S(C)(=O)=O)cc1OC 513602510 GVYILIDBUYJVDF-AWEZNQCLSA-N 440.493 4.134 5 20 IIBD COc1cc(CN(CCc2ccccn2)Cc2ccc(F)cc2)c([N+](=O)[O-])cc1OC 514087638 HXJRBFVHQBGUBD-UHFFFAOYSA-N 425.460 4.391 5 20 IIBD Cn1ccnc1[C@H](NCc1ccnc(OCc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 514090905 XBHDQCPHVMOKBO-HSZRJFAPSA-N 429.480 4.182 5 20 IIBD COc1cccc(CCNC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c1OC 515674620 UZDWXMWVXZJNNX-IRXDYDNUSA-N 441.528 4.067 5 20 IIBD O=C(NCCC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 515860454 FSJCZRLXYSUKMB-GOSISDBHSA-N 436.295 4.385 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H](NC[C@H]1CCCCO1)c1ccccc1 520519974 AJIJXZDNDYRHEB-VQIMIIECSA-N 448.317 4.196 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)N2CCC[C@@H](C)CC2)cc([N+](=O)[O-])c1C 521723823 OVZGWQAOJQZKAK-OAHLLOKOSA-N 445.541 4.275 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)cc([N+](=O)[O-])c1 522866191 JYZKISMZPAFHSV-UHFFFAOYSA-N 436.848 4.331 5 20 IIBD Cc1ccc(Cl)cc1N1CC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 523295655 YLKUVZYITJFFNZ-ZDUSSCGKSA-N 444.340 4.015 5 20 IIBD O=C(Nc1cccc(-c2cnco2)c1)c1ccc([N+](=O)[O-])cc1I 523705804 PGJSOXWQBDPJBT-UHFFFAOYSA-N 435.177 4.107 5 20 IIBD Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1 531083388 CWZCHFXZJUZKEL-QGZVFWFLSA-N 433.464 4.298 5 20 IIBD O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1 532348095 FZFJNILJSMXAOQ-KRWDZBQOSA-N 432.889 4.164 5 20 IIBD Cc1cc(C)cc(C2=CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)CC2)c1 539903913 SSSLQFBIFMIBQQ-IBGZPJMESA-N 439.537 4.194 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC(=O)N(c2ccccc2Cl)C1 540391126 QUPIJSBQNAUAEJ-CYBMUJFWSA-N 433.917 4.284 5 20 IIBD O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1[N+](=O)[O-] 540444393 GCOWVPKRDITNNL-GOEBONIOSA-N 425.666 4.271 5 20 IIBD CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)CSc1ccccc1[N+](=O)[O-] 542198072 MXTNNHUNUIBAEA-UHFFFAOYSA-N 446.916 4.428 5 20 IIBD O=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)N1CCc2ccc([N+](=O)[O-])cc2C1 543038993 AOLMIAUXIOJNIU-UHFFFAOYSA-N 431.374 4.390 5 20 IIBD O=C(NC1CCN(C[C@H]2CCOC2)CC1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 544564700 JZPRJIQBOHMVSK-GOSISDBHSA-N 447.601 4.108 5 20 IIBD CN(CC1(O)CCC1)C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 544778407 BNDNYAOJMLLYTQ-UHFFFAOYSA-N 429.523 4.343 5 20 IIBD NC(=O)N[C@H](Cc1nc(-c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)no1)c1ccccc1 545079713 XREXHFRTFKQBIE-HXUWFJFHSA-N 445.435 4.389 5 20 IIBD CCC[C@@H](NC(=O)c1ccccc1)c1noc(-c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)n1 547194384 ANRJUQWYWUEQLP-LJQANCHMSA-N 432.440 4.102 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)Sc3nc4cc([N+](=O)[O-])ccc4c(=O)n3C)n2)cc1F 547233801 UCYCRMREEIPZSO-LLVKDONJSA-N 441.444 4.193 5 20 IIBD O=C(CCNC[C@@H](c1c(F)cccc1Cl)N1CCCC1)Nc1ccccc1[N+](=O)[O-] 548761186 PQZGOZNINRFZTJ-IBGZPJMESA-N 434.899 4.143 5 20 IIBD COc1ccc(CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H](C)C2CC2)c(OC)c1 548944623 DFPULBXPCFERDE-OAHLLOKOSA-N 438.484 4.463 5 20 IIBD CC(=O)Nc1cccc(-n2cnnc2SCc2cc([N+](=O)[O-])ccc2C(F)(F)F)c1 549347063 JHXNNUXMCNAICU-UHFFFAOYSA-N 437.403 4.445 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N(CCO)CC1CC1 550503542 QCPKKCHSSAKIHF-QGOAFFKASA-N 437.521 4.366 5 20 IIBD COCC[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(Cl)c(Cl)c1 551416506 OBBYQYWJIXJEML-SFHVURJKSA-N 438.311 4.158 5 20 IIBD C[C@@]1(C2CC2)NC(=O)N(c2cccc(CNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O 553226647 XBCXZKUHRUUMIY-FQEVSTJZSA-N 448.401 4.451 5 20 IIBD COCC(C)(C)CCCNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 553720338 KMCDQBFKJBPSFN-UHFFFAOYSA-N 429.304 4.270 5 20 IIBD CCOc1cccc([C@H](C)NCc2cc(I)cc([N+](=O)[O-])c2)c1 554940317 CDPFOXIKIZPDGV-LBPRGKRZSA-N 426.254 4.449 5 20 IIBD COc1cc(Cc2noc(-c3ccc(C(F)(F)F)nc3OC(C)C)n2)ccc1[N+](=O)[O-] 569965968 WHIBPPNQWFOEFD-UHFFFAOYSA-N 438.362 4.445 5 20 IIBD COc1cc(SC)ccc1NC(=O)c1cc(I)cc([N+](=O)[O-])c1 572507061 IWWSENWTQOFLIH-UHFFFAOYSA-N 444.250 4.182 5 20 IIBD O=C(NCc1cccc(COCc2ccccc2)c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 573295716 HKSZWPXGVBNLMJ-UHFFFAOYSA-N 447.491 4.416 5 20 IIBD O=C1NC2(CCCC2)C(=O)N1c1cccc(CNc2ccc3ncccc3c2[N+](=O)[O-])c1 583904987 YAHWUOIVKYNSNJ-UHFFFAOYSA-N 431.452 4.124 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 588138987 FGADUZNCFRSYNZ-QGZVFWFLSA-N 436.434 4.076 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H]3CCN4CCC[C@H]4C3)c([N+](=O)[O-])c2)c(C)c1 603864968 SXORLLIJIFJUFF-MSOLQXFVSA-N 444.557 4.051 5 20 IIBD Cc1ccc(S(=O)(=O)CCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)cc1 603997055 PNABENXWEPOYMP-UHFFFAOYSA-N 445.522 4.138 5 20 IIBD O=C(NCCCc1nc2c(s1)CCCC2)Nc1cc([N+](=O)[O-])ccc1OC(F)F 608916083 JBOOSNKJSSWMBD-UHFFFAOYSA-N 426.445 4.286 5 20 IIBD CC(C)(C)c1cc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)n(-c2ccc(F)cc2)n1 608937398 UKKJTNMVDJYNPT-UHFFFAOYSA-N 440.431 4.241 5 20 IIBD O=C(Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1)c1cc([N+](=O)[O-])cc2c1OCCO2 608940116 VFUQKUCBBMPCRK-UHFFFAOYSA-N 434.383 4.301 5 20 IIBD O=C(N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1cc2c(cc1[N+](=O)[O-])OCO2 609186882 XLDNFUKJFMIVRC-AWEZNQCLSA-N 441.440 4.394 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)c1sc(-c2ccc(F)cc2)nc1C 609255547 VJSXOYODOGTUJP-GFCCVEGCSA-N 442.472 4.290 5 20 IIBD CS[C@@H]1CCC[C@@H](NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C1 609861143 PHUJACIMJVSYAN-ZYHUDNBSSA-N 429.329 4.491 5 20 IIBD CCCOc1cc(NC(=O)c2ccnc(-n3cccn3)c2)c([N+](=O)[O-])cc1OCCC 610037666 KUQNCEPXVRVUKV-UHFFFAOYSA-N 425.445 4.005 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCO[C@H]([C@@H]4CCCO4)C3)cc2[N+](=O)[O-])cc1 610687258 AUZNXSVYJCVTRR-PMACEKPBSA-N 428.510 4.074 5 20 IIBD Cc1nn(C)cc1[C@@H]1CCCN1C(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 610729337 BMOBFGXKBDJMKY-YRNRMSPPSA-N 425.533 4.096 5 20 IIBD COc1cc(CNc2cccc(-n3nnnc3C)c2)c([N+](=O)[O-])cc1OCc1ccccc1 610910219 LREYDEIYMUQHQV-UHFFFAOYSA-N 446.467 4.079 5 20 IIBD O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1cccc(F)c1I 611001269 NJSCGBLLBZFGFC-UHFFFAOYSA-N 437.168 4.139 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1 611226443 BCHKDFYXRRPYSL-UHFFFAOYSA-N 426.319 4.064 5 20 IIBD COCCNC(=O)C1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 611253673 BOTYKRBECXUYGP-UHFFFAOYSA-N 447.919 4.015 5 20 IIBD Cn1ccnc1[C@H](N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1cccc([N+](=O)[O-])c1 611560917 FNBMLCABGWDDOQ-YLJYHZDGSA-N 445.445 4.305 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCN(c2ccc3ccccc3n2)CC1 642325851 XLOYFFCXXFYVEY-UHFFFAOYSA-N 448.526 4.052 5 20 IIBD O=C(Oc1cccc(C(=O)N2CCc3ccccc3C2)c1)c1cc(F)c(F)cc1[N+](=O)[O-] 727712823 PLVVLKJCCIXKPJ-UHFFFAOYSA-N 438.386 4.291 5 20 IIBD O=C(NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F)Nc1ccc(Cl)c([N+](=O)[O-])c1 729545230 CDWZDSLRBBUQPO-OAHLLOKOSA-N 438.189 4.473 5 20 IIBD CC(C)COc1ccc(CC(=O)OC[C@@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])cc1 730702659 AYQSCIOSCGUBRB-IBGZPJMESA-N 440.496 4.020 5 20 IIBD O=C(CCSc1ccc(F)cc1)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730705420 WSOPTLSWLCQMFA-INIZCTEOSA-N 432.473 4.064 5 20 IIBD O=C(C1CCC1)N(CCCNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 731352371 UZOUWPPFZHLXIB-UHFFFAOYSA-N 430.383 4.115 5 20 IIBD COc1cc(-c2nc(COC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)cs2)ccc1O 733456040 LVQBIRDSMDGDHR-UHFFFAOYSA-N 425.422 4.271 5 20 IIBD O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cc(Cl)ccc1[N+](=O)[O-] 733939724 ZEVJETCCBQHQGA-LBPRGKRZSA-N 429.782 4.156 5 20 IIBD COc1cc(F)c([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc1OC 733939866 OWEINACUHHTJFW-OAHLLOKOSA-N 445.491 4.478 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 736072172 ARIXQECQUJVHBO-GOSISDBHSA-N 437.924 4.500 5 20 IIBD C[C@@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@H]1NC(=O)OC(C)(C)C 740829291 KPPPNMBNOACPBH-CZUORRHYSA-N 446.529 4.094 5 20 IIBD COc1ccc(-c2ccc(CNc3ccc(OC)c(N4CCOC4=O)c3)o2)c([N+](=O)[O-])c1 742715060 QYBXMMDMVMJIOT-UHFFFAOYSA-N 439.424 4.441 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@@H]3C[C@H]3c3cccc(F)c3F)CC2)ccc1[N+](=O)[O-] 744175951 WNCCTSVCKKPBIR-DLBZAZTESA-N 432.423 4.197 5 20 IIBD Nn1c(COc2c(Cl)cccc2Cl)nnc1SCc1ccc([N+](=O)[O-])cc1F 747804053 GMUSXSVWUQGNSP-UHFFFAOYSA-N 444.275 4.217 5 20 IIBD O=C(NC1(c2noc([C@H]3CCOC3)n2)CCCCCC1)c1cc(Cl)ccc1[N+](=O)[O-] 749165228 HULSLLAHFPIJSE-ZDUSSCGKSA-N 434.880 4.115 5 20 IIBD CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)OC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 749319070 RKERWDMRBJLBIA-LBPRGKRZSA-N 435.392 4.209 5 20 IIBD COc1cccc(C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)n1 752570878 CYZJFBRRJVRDDY-IBGZPJMESA-N 441.827 4.189 5 20 IIBD Cc1cc(F)cc(C(=O)N2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)c1[N+](=O)[O-] 753451277 UOTBDSBHBIJDSH-UHFFFAOYSA-N 434.855 4.076 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 754221309 VRJMOZDRDPRFDG-UHFFFAOYSA-N 429.429 4.080 5 20 IIBD CN(Cc1cc(Br)ccc1Cl)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 754852005 IVVCOTHKJLYUCB-UHFFFAOYSA-N 436.697 4.359 5 20 IIBD Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1cccc([N+](=O)[O-])c1Br 757916066 PWZNXXCUJLFAJJ-WBVHZDCISA-N 430.302 4.114 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F 757937730 JKINTSNWZAKLMT-CQSZACIVSA-N 447.866 4.099 5 20 IIBD O=C(Nc1cc2c(cc1NCCc1ccc([N+](=O)[O-])cc1)OCCO2)c1cccs1 758114160 WYOZIOBYQDJYOH-UHFFFAOYSA-N 425.466 4.334 5 20 IIBD COC(=O)c1ccc(OC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)cc1[N+](=O)[O-] 763707532 BKJFBEQWXLFOHR-UHFFFAOYSA-N 432.841 4.306 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)c1ccc(OCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 766746530 TYSWKFQFOZJOQW-HNNXBMFYSA-N 441.484 4.149 5 20 IIBD O=[N+]([O-])c1ccc(CN(c2ccccc2)S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cc1 766823702 CEXPADRQICZDDR-UHFFFAOYSA-N 441.465 4.082 5 20 IIBD CC[C@@H](OC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1F 766856321 RQXSQBZMJSHIBX-QGZVFWFLSA-N 434.807 4.349 5 20 IIBD COc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 766885557 PVCNHACEWRAFPY-DEOSSOPVSA-N 449.507 4.091 5 20 IIBD Cc1noc(C2CC2)c1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 767889023 BCPYIQZHMMJOCX-UHFFFAOYSA-N 439.394 4.142 5 20 IIBD Cc1cc2c(N3CCC[C@@H]3C(=O)OCc3cc([N+](=O)[O-])ccc3Cl)ncnc2s1 770180651 QMIYCQSBJJIOKS-MRXNPFEDSA-N 432.889 4.274 5 20 IIBD Cc1cc(C(=O)NCC(=O)OCc2nc(-c3ccccc3Cl)cs2)ccc1[N+](=O)[O-] 774930650 SWSSKWBCNDEIKP-UHFFFAOYSA-N 445.884 4.153 5 20 IIBD CC(C)CCSc1ccc(C(=O)N(CCS(C)(=O)=O)C(C)(C)C)cc1[N+](=O)[O-] 776370246 UXEAHBDLFQDFSR-UHFFFAOYSA-N 430.592 4.018 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCc2ncc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2C1 776969960 LUTNSFLRJGYBDW-OAHLLOKOSA-N 427.461 4.016 5 20 IIBD C[C@@H](CC(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(=O)c1ccc(Cl)cc1 777220215 HTVNTPBGMPGLBE-LBPRGKRZSA-N 429.816 4.251 5 20 IIBD COc1ccc(N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(Br)cc2C)cc1Cl 777636810 BBSLMNIPUNKKNE-UHFFFAOYSA-N 449.710 4.153 5 20 IIBD C[C@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCCN(C2CCC2)C1 781449749 VFKOGCMMDHAZLJ-STQMWFEESA-N 425.327 4.132 5 20 IIBD O=C(OCc1cncc(OCc2ccccc2)c1)c1cc(Br)ncc1[N+](=O)[O-] 784488345 KAGAJGOWNPTSDC-UHFFFAOYSA-N 444.241 4.083 5 20 IIBD Cc1cnccc1C(=O)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 786047392 ZZSFGFZIVQLDSB-IBGZPJMESA-N 425.828 4.488 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)COc1cc([N+](=O)[O-])ccc1Br 786746654 YBUVXYCBDBKIBZ-UHFFFAOYSA-N 429.654 4.345 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)C[C@@H](C)c2c[nH]c3ccccc23)c([N+](=O)[O-])c1 787220382 ZLXJODVABFKCCS-ZIAGYGMSSA-N 425.441 4.149 5 20 IIBD O=[N+]([O-])c1ccc2nc(CSc3nnc(-c4ccncc4)n3Cc3ccccc3)[nH]c2c1 788803310 JGVSSGADFFSHJE-UHFFFAOYSA-N 443.492 4.465 5 20 IIBD COc1cccc([C@@H](C)CC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c1 791173700 FFQZZSWUOYQRRS-ZDUSSCGKSA-N 433.302 4.444 5 20 IIBD CCCCN(c1ccccc1C(=O)O)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F 795351505 VWAMDWUAZFXFBY-UHFFFAOYSA-N 430.841 4.081 5 20 IIBD COc1cc(CNc2cnc(Br)cn2)ccc1OCc1ccc([N+](=O)[O-])cc1 795799074 VGYLNDBPXXYHMO-UHFFFAOYSA-N 445.273 4.347 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2c(-c3ccccc3C)noc2C)c([N+](=O)[O-])c1 796216232 OFCPWYOWFOUYOV-CQSZACIVSA-N 439.424 4.059 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N(Cc2ccc(Cl)cc2)Cc2cnn(C)c2)cc1[N+](=O)[O-] 797584460 QZNHEANWVQZTPH-UHFFFAOYSA-N 443.847 4.041 5 20 IIBD CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N 801867393 AAZHEDOQWIWGRB-UHFFFAOYSA-N 426.448 4.456 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](c2cc3ccccc3[nH]2)C1 802346162 BHHDNQDQQPDAPO-IBGZPJMESA-N 446.511 4.365 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(Cn2c(Br)cccc2=O)cc1OC 809977634 NFYGZKWCEFLZLC-GFCCVEGCSA-N 425.279 4.001 5 20 IIBD CN([C@@]1(c2ccccc2)CCCCC1=O)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F 810077774 QTQOSLOMCGMFTE-LJQANCHMSA-N 440.880 4.046 5 20 IIBD Cc1cc(C)nc(-n2nc(C(=O)OCc3cc(Cl)cc(Cl)c3[N+](=O)[O-])cc2C)n1 811085851 DAIYZVXQFFLTLC-UHFFFAOYSA-N 436.255 4.160 5 20 IIBD CCCNC(=O)c1cccc(C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 811217934 HJZDKUPDXSUNKZ-UHFFFAOYSA-N 425.466 4.215 5 20 IIBD CC[C@@H](C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)n1nnc(-c2ccc(Cl)cc2)n1 811932826 MHNITJWDALYREF-KRWDZBQOSA-N 449.298 4.165 5 20 IIBD O=C(COc1cccc(NC(=O)C2CC2)c1)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F 815187934 XJWPJNOQNFWSEP-UHFFFAOYSA-N 438.358 4.084 5 20 IIBD CS(=O)(=O)C[C@H]1CCN(C(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)C1 816996964 WNYCNRPXUHNZPE-KRWDZBQOSA-N 447.556 4.440 5 20 IIBD CC1=C(C(=O)N(C)C)[C@H](c2ccccc2[N+](=O)[O-])NC(=S)N1c1ccccc1Cl 887570771 CZLRAVPAMDKPQE-SFHVURJKSA-N 430.917 4.046 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1c1noc(-c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)n1 904706674 VXXDFEBHFXMZIZ-INIZCTEOSA-N 426.433 4.107 5 20 IIBD Cc1ccc(C(=O)N(C)c2ccc(OC(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)cc2)cc1 915283221 USQPJVIVTKOFQI-UHFFFAOYSA-N 444.447 4.135 5 20 IIBD C[C@H](OC(=O)c1csc(Cc2ccccc2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 915453515 CORVOJJAYJBORM-LBPRGKRZSA-N 445.884 4.480 5 20 IIBD CC(C)c1noc2nc(C3CC3)cc(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3F)c12 915576759 GBTUORXPSPBENH-UHFFFAOYSA-N 442.403 4.066 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 915787343 VUBPPPFAEZWMJV-IBGZPJMESA-N 427.819 4.232 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)COc1ccc(F)cc1Cl 917205802 NHHQTZBVKWTKEL-UHFFFAOYSA-N 448.838 4.253 5 20 IIBD O=C(Nc1ccc(OC(F)F)c2ncccc12)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 918546327 REMCJAJCKKLWPH-UHFFFAOYSA-N 443.410 4.099 5 20 IIBD C[C@H](COc1ccccc1F)NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1317967654 XKCTXBPMJSLXGI-LLVKDONJSA-N 432.395 4.429 5 20 IIBD O=C(NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)N1Cc2ccc([N+](=O)[O-])cc2C1 1318957468 LHQGBJGEFKMREG-IBGZPJMESA-N 432.883 4.250 5 20 IIBD Cc1ccc(-c2nnc(S)n2CCc2nc(-c3cc(C)c([N+](=O)[O-])cc3C)no2)cc1 1321122338 HOELMAJFWOFOKP-UHFFFAOYSA-N 436.497 4.360 5 20 IIBD C[C@]1(c2cc3ccccc3o2)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2Br)C1=O 1324141113 VZMPUYFBERTPNV-LJQANCHMSA-N 444.241 4.071 5 20 IIBD CC(=O)NC1(c2ccc(NC(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)cc2)CCC1 1790816632 QSAMYJLIPLONNQ-UHFFFAOYSA-N 446.301 4.433 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(Cl)c1 1799616766 BIHKDQWFXYIGDB-ACDBMABISA-N 441.915 4.133 5 20 IIBD Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(F)cc([N+](=O)[O-])c2)c(Cl)c1 1800525979 ZMYCEBZYESOGFJ-BJWYYQGGSA-N 445.878 4.261 5 20 IIBD Cc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C3CC3)cc2)cc1[N+](=O)[O-] 1800730636 QMINVXAVXYKJNI-NUNAXRQHSA-N 447.535 4.275 5 20 IIBD C/C=C(\C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 1824158020 HUPLQTGCHAQUPD-QPHYPNAHSA-N 447.963 4.377 5 20 IIBD CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 1826400657 CLVIRCJDRMDGPE-LJQANCHMSA-N 449.979 4.457 5 20 IIBD C/C=C(/C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1832904472 UDJQTURURYDOIQ-RYHUTXLLSA-N 425.529 4.194 5 20 IIBD Cc1cc(C)cc(CCC(=O)N2CCCC23CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C3)c1 1846499988 QMRVJISUJDRYGJ-PKNBQFBNSA-N 447.535 4.061 5 20 IIBD Cc1c(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CCCC(F)(F)F)cc(Cl)cc1[N+](=O)[O-] 1848016375 YQCUQSKGQSFNFT-GJZGRUSLSA-N 447.841 4.105 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)NCc1ccco1 9032292 HAQWZUUIJMHRPE-UHFFFAOYSA-N 446.868 4.466 5 20 IIBD CNc1ccc(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1[N+](=O)[O-] 9924514 ULOYTFJOSGBPTA-UHFFFAOYSA-N 431.754 4.104 5 20 IIBD COc1ccc(-c2nc(COC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cs2)cc1OC 10756915 VLLYLVKQYHYTNE-BJMVGYQFSA-N 426.450 4.492 5 20 IIBD CC(C)CCSc1ccc(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)cc1[N+](=O)[O-] 11362315 CZIHNNUAQRHGKN-UHFFFAOYSA-N 437.543 4.357 5 20 IIBD Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1C 15532969 CVJOTTRIKUQFIY-UHFFFAOYSA-N 440.477 4.256 5 20 IIBD CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1[N+](=O)[O-] 18004332 JPNXDDILVPWVSM-UHFFFAOYSA-N 440.283 4.158 5 20 IIBD C[C@H](OC(=O)COCc1nc2ccccc2s1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 18021091 LFPWUYUTLNTSKJ-LBPRGKRZSA-N 440.437 4.076 5 20 IIBD CCNc1nnc(S[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)s1 18662940 FUYAVOSQYHAPSJ-VIFPVBQESA-N 436.544 4.121 5 20 IIBD C[C@@H](OC(=O)/C=C/c1ccc2ccccc2n1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 20983485 WFJRLUQTFXXHPZ-RUNBWSAHSA-N 425.828 4.380 5 20 IIBD CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)n2)cc1 31226373 AFDOHAMFXNHDIY-UHFFFAOYSA-N 448.464 4.115 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1 32800025 MNBVXFXQLIRXGY-CYBMUJFWSA-N 449.419 4.367 5 20 IIBD O=C(Nc1ccc(Cn2cnc3ccccc32)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 63991764 WGKXGZRSQOKZRU-UHFFFAOYSA-N 438.447 4.431 5 20 IIBD CNC(=O)c1cc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)ccc1Cl 64837528 VDIQHSRDOKHHNI-UHFFFAOYSA-N 438.871 4.472 5 20 IIBD O=C(NC[C@@H](c1cccs1)N1CCCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 65087072 UMZUETUNHQSGGR-KRWDZBQOSA-N 428.539 4.347 5 20 IIBD CCN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@H](C)c1cccc(C(F)(F)F)c1 97174756 PEBYITNJQRUCAW-CYBMUJFWSA-N 433.390 4.418 5 20 IIBD COc1cc(C(=O)N[C@H](C)Cn2ccnc2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 117719563 IZGDUMTUTRLHEI-CYBMUJFWSA-N 430.848 4.064 5 20 IIBD CCOCCCN1CC[C@@H](NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)[C@H](C)C1 303579682 DHBJFEHTBNGLSM-WIYYLYMNSA-N 440.544 4.205 5 20 IIBD C[C@H]1C[C@H](N(C)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 303766663 PUIXJFSKDVMKCU-SIKLNZKXSA-N 436.556 4.320 5 20 IIBD CCc1[nH]nc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c1C 409479151 VWKHCSNYBWBLDT-UHFFFAOYSA-N 430.468 4.223 5 20 IIBD CC(C)(c1nc(Cc2ccn(-c3c(F)cccc3F)n2)no1)c1ccccc1[N+](=O)[O-] 426424087 FGPFUTYRPJUALP-UHFFFAOYSA-N 425.395 4.358 5 20 IIBD CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc([N+](=O)[O-])cc1OC 427114857 PGSATBAFXFDWGA-UHFFFAOYSA-N 426.256 4.011 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@H]2CCC[C@H]2c2ccccc2)cc(Br)cc1[N+](=O)[O-] 430324914 VZLDYJOCJKNFOE-HOTGVXAUSA-N 446.301 4.057 5 20 IIBD C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc2N(Cc2ccccc2)C1=O 430836834 GGXPQYBIHZECND-GOSISDBHSA-N 429.476 4.353 5 20 IIBD Cc1nn(CCC(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)c(C)c1[N+](=O)[O-] 431154504 ZFLMCMSMUJBMPR-INIZCTEOSA-N 439.285 4.064 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC(CO)(c2ccccc2)CC1 431506525 OASPYUZWGIPBPV-UHFFFAOYSA-N 442.313 4.436 5 20 IIBD Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c(OC[C@H]2CCCO2)c1 432478994 QTUUELSIPRBKSK-MRXNPFEDSA-N 437.452 4.027 5 20 IIBD O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1cc(Br)cc([N+](=O)[O-])c1 432645481 OXPSSUWZHGKTLZ-UHFFFAOYSA-N 438.241 4.319 5 20 IIBD C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 433077324 RDUPHVNWSSFEPR-NSHDSACASA-N 432.267 4.242 5 20 IIBD CC(C)(NC(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1)c1ccccc1[N+](=O)[O-] 433164242 DTIRRUBWTRROCI-UHFFFAOYSA-N 437.456 4.491 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(Cn2cccc(Br)c2=O)cc1OC 434649291 WINOKSDIRASCSY-GFCCVEGCSA-N 425.279 4.001 5 20 IIBD COc1cc(NC(C)=O)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 435453670 VALFCSAQJYOKLB-UHFFFAOYSA-N 434.452 4.426 5 20 IIBD COc1ccc(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)cc1 435515511 HHUGDTLKOHSFBG-UHFFFAOYSA-N 443.506 4.071 5 20 IIBD O=C(CCC1CCCCC1)N1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 436067982 VHDIZZFKWWBTHX-UHFFFAOYSA-N 445.563 4.326 5 20 IIBD COc1ccccc1-c1noc([C@H](C)NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 437129696 RTNQJKQJJIPIBW-JTQLQIEISA-N 436.346 4.163 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N(CCC(F)(F)F)CC2CC2)cc1[N+](=O)[O-] 437320232 CHIWWUOKOKGNAB-UHFFFAOYSA-N 445.257 4.019 5 20 IIBD Cc1ccc([C@@H](OC[C@H](O)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)c2ccccc2)cc1 438820420 PPYMJPJKUWNQDK-RPWUZVMVSA-N 444.491 4.329 5 20 IIBD COCCOc1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 439240110 VSMNPFLLJAOAFX-UHFFFAOYSA-N 442.493 4.016 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cnccc2-c2cccc(F)c2)cc1OC 439679668 XSYCZGKCOWLSIW-UHFFFAOYSA-N 441.415 4.082 5 20 IIBD Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444638664 WVGZAOHBBQHKER-UHFFFAOYSA-N 445.357 4.383 5 20 IIBD Cn1cnc([N+](=O)[O-])c1-c1noc(-c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)n1 445570019 CJXVAGMDTHAYIL-UHFFFAOYSA-N 437.803 4.144 5 20 IIBD C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 445796476 XEROFMRYRLBQMX-HNNXBMFYSA-N 434.489 4.120 5 20 IIBD CC(=O)c1c(C)cccc1NC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C 446306713 BUUCHTROYARZOL-LJQANCHMSA-N 431.876 4.152 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@@H]1CCCN(c2ccccc2)C1 447735536 FKBGLJODZWRCLE-FQEVSTJZSA-N 425.532 4.188 5 20 IIBD COc1cccc([C@@H]2CCCN2c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCOC2)c1 461639534 GYNYERTXKDHNDZ-JTSKRJEESA-N 449.511 4.240 5 20 IIBD CC[C@@H]1Oc2cc([C@H](C)NC(=O)[C@H](CC)Cc3ccc([N+](=O)[O-])cc3)ccc2NC1=O 462599920 BYEQFWZSOYALAM-NBQZKYEYSA-N 425.485 4.150 5 20 IIBD CNc1c(C(=O)N[C@H](C)c2ccc(OCc3ccncc3)c(OC)c2)cccc1[N+](=O)[O-] 462934701 ICMYIZLOEODKQU-OAHLLOKOSA-N 436.468 4.110 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](Oc3ccccc3Cl)C2)c2ncccc12 464192337 DMPMXSFHBLEPGH-CQSZACIVSA-N 447.900 4.029 5 20 IIBD COc1cc(C(=O)N2CCOc3c(Cl)cc(Br)cc32)ccc1[N+](=O)[O-] 464664634 RKMAWLONPMRZSX-UHFFFAOYSA-N 427.638 4.059 5 20 IIBD O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 466238850 BCVJBSUZPMCAPM-VFNWGFHPSA-N 448.928 4.467 5 20 IIBD CCOc1ccc(NC(=O)CSc2nc(O)c(C)c(-c3ccccc3)n2)c([N+](=O)[O-])c1 467206736 LNXBJZPJVZGAHG-UHFFFAOYSA-N 440.481 4.195 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 467981677 HOVCYYMLDQDHSZ-OAHLLOKOSA-N 433.333 4.342 5 20 IIBD O=C([C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1CC2(CCCC2)c2cccc(F)c21 470092887 WKDHTJYROLIQBR-INIZCTEOSA-N 443.500 4.259 5 20 IIBD C[C@@H](N(Cc1ccccc1)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C 470291379 GGFWRFHZDNXVGF-QGZVFWFLSA-N 447.557 4.015 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2cccc3cnccc23)C[C@@H]1C 470411042 HFUVPVGHPKKJQT-AZUAARDMSA-N 432.524 4.449 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1c(-c2ccco2)nc2ccccn12 476434982 XSFXKGGKMUOMRP-UHFFFAOYSA-N 429.392 4.068 5 20 IIBD C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)c2ccccc2N(Cc2ccccc2)C1=O 477751227 QQKFWWILDIISNW-KRWDZBQOSA-N 447.466 4.493 5 20 IIBD COc1ccc(Cl)cc1C1(CNC(=O)NCc2cccc([N+](=O)[O-])c2C)CCOCC1 478796636 QBULNIDRIPAZHR-UHFFFAOYSA-N 447.919 4.113 5 20 IIBD C[C@H](NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 478869685 CJLVNPSURZGBLM-CQOVVYFZSA-N 436.295 4.298 5 20 IIBD Cc1c(CNC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)cccc1[N+](=O)[O-] 481471691 IGQXXAKINNNNQD-UHFFFAOYSA-N 430.530 4.345 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@H]4[C@@H](CCCN4Cc4ccccc4)C3)o2)cc1 483476028 QWJIXDOWCZRGHH-UNMCSNQZSA-N 433.512 4.131 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCOc3cc(Cl)c(Cl)cc32)cc1OC 484651547 MIDLDIQKONDSMK-UHFFFAOYSA-N 427.240 4.348 5 20 IIBD COC(=O)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Br)cc([N+](=O)[O-])c1 484791943 CQRKHZDOZRTQJI-UHFFFAOYSA-N 447.163 4.415 5 20 IIBD Cc1cc(CN(CC(C)C)C(=O)c2cc([N+](=O)[O-])ccc2C)nc(N2CCCCC2)n1 486103583 ICKSIRLXTIISNL-UHFFFAOYSA-N 425.533 4.290 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1 486191327 GRZUNPPOPDRZER-UHFFFAOYSA-N 431.489 4.337 5 20 IIBD COC(=O)c1cc(NC(=O)N(C)Cc2cccc(OC(F)(F)F)c2)c(C)c([N+](=O)[O-])c1 486872876 ZJCSYSJSKVTMOY-UHFFFAOYSA-N 441.362 4.252 5 20 IIBD COC(=O)c1cc(NC(=O)N2CC[C@H](Oc3ccccc3Cl)C2)c(C)c([N+](=O)[O-])c1 486873540 SYZCBCSUTMBYPH-AWEZNQCLSA-N 433.848 4.028 5 20 IIBD CCOc1cc(C(=O)N[C@H](C)c2nc(-c3ccncc3)cs2)c([N+](=O)[O-])cc1OC 488236240 JDIHSEXMZSONIE-GFCCVEGCSA-N 428.470 4.012 5 20 IIBD C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 488886555 XIEAMHVZFQKXCE-KRWDZBQOSA-N 447.601 4.202 5 20 IIBD COc1ccccc1[C@H](C)CC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 490038196 YHOBBIABHYXMMS-CYBMUJFWSA-N 425.407 4.344 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC(Cc2ccccc2CO)CC1 490359608 CZQSNVMKFKRRLF-UHFFFAOYSA-N 437.521 4.306 5 20 IIBD CC(C)c1ccc([C@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)cc1 490788783 CLALUADYRKBUQD-OAQYLSRUSA-N 430.526 4.489 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 492877849 MYQGNBWHFRNVCQ-HUUCEWRRSA-N 437.949 4.105 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N[C@H](C)CCCC(F)(F)F)cc1[N+](=O)[O-] 494325189 CZJKGJXMRIGQLC-MRVPVSSYSA-N 433.246 4.065 5 20 IIBD Cc1ccc(NC(=O)CCc2nc(O)c3c4c(sc3n2)C[C@@H](C)CC4)cc1[N+](=O)[O-] 495500782 CMTDVDSJCANCMK-NSHDSACASA-N 426.498 4.310 5 20 IIBD COc1ccc([C@H]2C[C@H](NC(=O)Cc3ccc([N+](=O)[O-])cc3Br)C2)cc1F 501325748 TXOFBEPGUBZYLB-HDJSIYSDSA-N 437.265 4.110 5 20 IIBD C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 501352267 HGHIVFDSBFHYCY-LLVKDONJSA-N 442.269 4.198 5 20 IIBD COC(=O)c1cc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc(Br)c1F 507500466 IZCNMAWCXDVZKK-UHFFFAOYSA-N 439.237 4.199 5 20 IIBD COc1ccc(CN(c2ccncc2)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 508354758 NRAHZLIYBQAHQO-UHFFFAOYSA-N 433.873 4.047 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)Cc2ccc(C(=O)O)cc2)cc1 509206582 AFGYERNXFWSUOP-UHFFFAOYSA-N 436.420 4.366 5 20 IIBD CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)cc1F 509559347 VCMFMHJFRYUXBU-UHFFFAOYSA-N 444.200 4.298 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CCN(c2cccc(Br)c2)C1 509616620 HEOXDWPLXOQPKO-OAHLLOKOSA-N 434.334 4.372 5 20 IIBD CCOC(=O)c1sc2[nH]c([C@@H](C)SCc3ccc([N+](=O)[O-])cc3)nc(=O)c2c1C 513816450 OCKRVCVKQACLRT-LLVKDONJSA-N 433.511 4.372 5 20 IIBD C[C@H](c1cccnc1)N1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 514151047 GYEWKXYTULJTNX-LJQANCHMSA-N 445.523 4.121 5 20 IIBD O=C(NC1CC1)c1ccc(CN(Cc2ccco2)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 514531169 FLYVDZUMIUKCMU-UHFFFAOYSA-N 434.452 4.314 5 20 IIBD COc1ccc(C(NC(=O)COc2cc([N+](=O)[O-])ccc2C)c2ccc(OC)cc2)cc1 514561418 UYDKHWANTSDSSF-UHFFFAOYSA-N 436.464 4.205 5 20 IIBD Cc1ccc(NC(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)cc1[N+](=O)[O-] 516156097 GBGFGBJWVFUACG-CQSZACIVSA-N 433.306 4.314 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 516734709 BBNNRZMZXBOWCD-CYBMUJFWSA-N 431.876 4.386 5 20 IIBD C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 518367907 VHNMKZIICYUJML-BTYIYWSLSA-N 429.904 4.451 5 20 IIBD C[C@@H](c1ccccn1)N(C)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 520088022 ROBKEVAACYPULQ-AWEZNQCLSA-N 436.434 4.445 5 20 IIBD CC(C)Sc1ccc(Cl)cc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 520603247 BMCNKDMEMCFHLG-UHFFFAOYSA-N 435.937 4.498 5 20 IIBD CCc1sc(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)nc1-c1ccc(OC)cc1 521494828 BFIQKUKCFCHAHY-UHFFFAOYSA-N 429.502 4.131 5 20 IIBD O=C(Nc1cccc(CSC2CCOCC2)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 522478331 GTBUWKBRPNGVMU-UHFFFAOYSA-N 438.509 4.445 5 20 IIBD Cc1cc(C)cc(N(CC(=O)Nc2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 524593083 GXGUIQDDXLWXEO-UHFFFAOYSA-N 439.493 4.046 5 20 IIBD Cc1cccc(C)c1OC[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 531784247 KYCUHNQCJULSIQ-NRFANRHFSA-N 433.464 4.087 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)N2CCc3ccsc3C2)cc1[N+](=O)[O-] 536462672 JQRCKFHXJPBBGD-UHFFFAOYSA-N 435.505 4.152 5 20 IIBD CN(CC(=O)Nc1ccc(Br)cn1)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 536684581 NNRGUHSYBZEQIG-UHFFFAOYSA-N 445.273 4.083 5 20 IIBD O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 538050181 HXCXBTHZAWRTCA-YLJYHZDGSA-N 433.867 4.248 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 538244953 XLTQBTWWYXYUNK-NLFFAJNJSA-N 432.907 4.455 5 20 IIBD C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCCCc1nc(-c2ccncc2)cs1 540181774 IEYLVMHOXPWLEK-HNNXBMFYSA-N 425.514 4.053 5 20 IIBD Cc1ccnc(OC2CCN(C(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)CC2)c1 541069926 NQPIPANZAXJXQY-UHFFFAOYSA-N 434.290 4.053 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnn(S(=O)(=O)c3ccc(Cl)cc3Br)c2)c1 541536747 LMVKDJOPAKBEQW-UHFFFAOYSA-N 442.678 4.111 5 20 IIBD CC[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2cc(OC)ccc2c1 544573941 CMGCEUBNIOCZOS-QFIPXVFZSA-N 428.510 4.271 5 20 IIBD Cc1c(Cc2nc(-c3cc(C(F)(F)F)ccc3-n3cncn3)no2)cccc1[N+](=O)[O-] 545017831 ROWUSHRQMGEVCY-UHFFFAOYSA-N 430.346 4.144 5 20 IIBD COc1cc(Br)ccc1-c1noc(Cn2ccc3cc([N+](=O)[O-])ccc32)n1 546491556 KFZCAAIPICIGEG-UHFFFAOYSA-N 429.230 4.419 5 20 IIBD O=C1CCCN1Cc1cccc(-c2noc(-c3cc(Br)cc([N+](=O)[O-])c3)n2)c1 547140648 ZLGIWJBHZZEDIP-UHFFFAOYSA-N 443.257 4.197 5 20 IIBD CCc1nc2cc(CNC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)ccc2n1C1CC1 549283315 GOXOFLQEGNSIEH-UHFFFAOYSA-N 427.892 4.495 5 20 IIBD C[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCCO2)CC12CCC2 549643684 MIOCFVWHYQLALF-FXAWDEMLSA-N 425.533 4.439 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC4(CCOCC4)[C@H]3C3CC3)cc2[N+](=O)[O-])C1 561592433 DCJOBCMJKRQPNU-DRSNIGMVSA-N 427.545 4.108 5 20 IIBD COc1ccc(Cc2nc(CC(=O)Nc3cccc(Cl)c3Cl)no2)cc1[N+](=O)[O-] 562473735 HWZXTKOEWAPFKB-UHFFFAOYSA-N 437.239 4.065 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(Cc1cn(Cc3ccccc3)nc1-c1cccnc1)CCO2 565394282 FMDONVROZDIHNS-UHFFFAOYSA-N 441.491 4.296 5 20 IIBD O=C(Nc1cccc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1)c1ccc(F)cc1 570514431 HYBLQUGRHCACDH-SFTDATJTSA-N 437.475 4.456 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](CC(C)C)c1cc(Cl)ccc1OC 570731481 VXNGFDLZPUMANG-MRXNPFEDSA-N 449.891 4.108 5 20 IIBD CC(C)n1cc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)cn1 572941281 GQNOCNFSIKHKDF-UHFFFAOYSA-N 431.499 4.162 5 20 IIBD CCS(=O)(=O)c1ccc([C@H](C)Nc2ncc([N+](=O)[O-])c(C)c2Br)cc1 577783392 PLPJPAHDRNAJLK-NSHDSACASA-N 428.308 4.027 5 20 IIBD CO[C@H](C)CCNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 577915500 DEEXGNOCRNDNFY-GFCCVEGCSA-N 425.844 4.404 5 20 IIBD CCOC(=O)c1cc(S(=O)(=O)Nc2cc(C(F)F)ccc2Cl)cc([N+](=O)[O-])c1C 578550413 YFSMHVANEFVTCT-UHFFFAOYSA-N 448.831 4.472 5 20 IIBD COc1cc(Cc2noc(-c3cc(C)n(-c4ccc(C)cc4)n3)n2)c([N+](=O)[O-])c(OC)c1 580540425 RFIIQSHHALNRAN-UHFFFAOYSA-N 435.440 4.055 5 20 IIBD CC[C@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C(C)(C)c1ccccc1 585760738 LTCYHQXQZKRZNI-KRWDZBQOSA-N 448.317 4.168 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 589063281 OGLABJMIJNQSQU-LSDHHAIUSA-N 428.470 4.411 5 20 IIBD O=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 603639174 VWGXBSIBCYPSKR-UHFFFAOYSA-N 448.407 4.086 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@H]3CCN4CCC[C@@H]4C3)c([N+](=O)[O-])c2)c(C)c1 603864971 SXORLLIJIFJUFF-ZWKOTPCHSA-N 444.557 4.051 5 20 IIBD O=C(NCc1cccc(C(=O)NC2CC2)c1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 603909814 SFZXIQHCKOIULS-UHFFFAOYSA-N 430.464 4.161 5 20 IIBD COc1cccc(Oc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3OC)cc2)c1 603985342 CUMUDFRRFGWLEB-UHFFFAOYSA-N 430.438 4.205 5 20 IIBD COc1ccc(CNC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)cc1[N+](=O)[O-] 604017122 HIZRSFZYFANMMZ-UHFFFAOYSA-N 426.450 4.033 5 20 IIBD Cc1ccccc1NC(=O)[C@@H]1CCc2ccccc2N1C(=O)COc1ccccc1[N+](=O)[O-] 608873112 VNTOSJLPBAONAA-QFIPXVFZSA-N 445.475 4.269 5 20 IIBD Cc1c(C(=O)Nc2cccc3c2CN(CCC(C)C)C3)nnn1-c1cccc([N+](=O)[O-])c1 609063364 BXBWGCPAXWIZBA-UHFFFAOYSA-N 434.500 4.098 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(-c3ccc4c(c3)CCO4)n2)c1C 609473464 PIZIRZYYMFDXHH-UHFFFAOYSA-N 425.466 4.009 5 20 IIBD CC(C)[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 609722292 QKWHYSIYLUKLJS-NRFANRHFSA-N 434.876 4.302 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)c([N+](=O)[O-])c1 609730519 QCSLLPYDQAZQBX-MUUNZHRXSA-N 436.555 4.285 5 20 IIBD CCOC(=O)c1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)sc2c1CCSC2 609783813 LWOVAYBKBGYZOB-UHFFFAOYSA-N 440.930 4.457 5 20 IIBD COc1ccc(CNC(=O)N2CCC[C@H]2c2ccccc2Br)cc1[N+](=O)[O-] 610665441 RZWOVNWLCKMMDC-INIZCTEOSA-N 434.290 4.413 5 20 IIBD O=C(NCC(=O)N1CCCc2ccccc21)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611202001 RKXDGJARZCIYNK-UHFFFAOYSA-N 439.537 4.339 5 20 IIBD CCCC(=O)NC1CCN(Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)CC1 611261168 DBKJVGWVHDRDGS-UHFFFAOYSA-N 441.528 4.063 5 20 IIBD Cc1ccc(CN(C)C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)nc1 616171889 ITNPJMSDJJHGIH-UHFFFAOYSA-N 436.434 4.192 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C1CCCCC1)C1CC1 619744192 ZAUTUZNGNILKCA-UHFFFAOYSA-N 428.270 4.445 5 20 IIBD CCSc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cn1 727792222 ZMMGUKYQQHHGOS-UHFFFAOYSA-N 440.447 4.083 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)cc1SC 728656698 LPLOTFAUINGKTO-UHFFFAOYSA-N 441.461 4.277 5 20 IIBD CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C(=O)c1cc(F)ccc1[N+](=O)[O-] 731022744 MUVLYTSLMYQSQV-UHFFFAOYSA-N 429.448 4.352 5 20 IIBD CN(C(=O)COC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H](c1ccccc1)c1ccc(F)cc1 731528313 ZODYUNOSACBNGV-JOCHJYFZSA-N 440.402 4.278 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1ccc2nc(C(C)C)sc2c1 731619459 PAXACPLRXAUVNE-UHFFFAOYSA-N 429.454 4.167 5 20 IIBD C[C@H](OC(=O)c1ccccc1COc1cccc(C=O)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 731748116 DPGUOXCIGJARTJ-INIZCTEOSA-N 448.431 4.170 5 20 IIBD C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C[C@@H](C)N1C(=O)OC(C)(C)C 733117500 NILIEIPIRNOTBW-CALCHBBNSA-N 446.548 4.055 5 20 IIBD COc1ccc(Cl)cc1N(C)C(=O)c1ccc(I)c([N+](=O)[O-])c1 733939553 WESKVNMLUSUDIA-UHFFFAOYSA-N 446.628 4.138 5 20 IIBD Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)OCc3cc([N+](=O)[O-])ccc3Cl)C2)c1 734779940 MJDUQQFLVVXJPP-MRXNPFEDSA-N 430.888 4.461 5 20 IIBD C[C@H]1Oc2ccc(C(=O)C3CCN(Cc4cc([N+](=O)[O-])ccc4Cl)CC3)cc2NC1=O 735492168 NWQSXNZOAGDPDN-CYBMUJFWSA-N 443.887 4.063 5 20 IIBD O=C(COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)NCCc1cccc(Cl)c1Cl 736877273 VRGHQYUSHWDZOV-UHFFFAOYSA-N 431.659 4.071 5 20 IIBD CCOC(=O)N1[C@H](C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[C@H]1c1ccc(C)o1 739589755 PSIYSBTWSLZDKV-PMACEKPBSA-N 443.500 4.297 5 20 IIBD O=C(Cc1c[nH]c2ccc(Cl)cc12)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 740553385 KVRBTLPLJSICGR-INIZCTEOSA-N 441.871 4.120 5 20 IIBD CN1C(=O)CC[C@H](COC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@H]1c1cccc(Cl)c1 740603675 KHJPEIOINIFGLG-QVKFZJNVSA-N 441.871 4.496 5 20 IIBD COC(=O)C(C)(C)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 741641970 SEWBKFZSWRNOFH-UHFFFAOYSA-N 425.485 4.288 5 20 IIBD CCCn1cc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cn1 742720972 PCBVJGWDPITARS-UHFFFAOYSA-N 430.468 4.235 5 20 IIBD C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 744421683 PQSVSKQVWWBLBN-SFHVURJKSA-N 438.528 4.065 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2)C1 745351706 VLIAVNBVQGAPAJ-XMMPIXPASA-N 440.496 4.368 5 20 IIBD COC(=O)[C@](C)(NCc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(Br)c1 746674982 YXPJAZQLPHGZTI-QGZVFWFLSA-N 427.682 4.189 5 20 IIBD C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN(Cc2ccc3ccccc3c2)C2CC2)C1=O 746708529 XJYPFFDUHMHIHN-RUZDIDTESA-N 444.491 4.137 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccc3c(c2)COC3)c2ccccc2)c([N+](=O)[O-])c1 747532361 ULXZJJDNWJGIBI-QFIPXVFZSA-N 432.432 4.470 5 20 IIBD CC(C)c1ccc(-c2nc(CS(=O)(=O)C[C@H](O)c3cccc([N+](=O)[O-])c3)cs2)cc1 749703917 JKGLNECZBMZVET-FQEVSTJZSA-N 446.550 4.490 5 20 IIBD Cc1ccc(-c2nc(CC(=O)OCC3CCN(c4ccc([N+](=O)[O-])cn4)CC3)cs2)o1 750435852 MELFVUPDZMEGES-UHFFFAOYSA-N 442.497 4.017 5 20 IIBD O=C(NCc1nc2c(s1)CCCC2)c1cc(Br)cc([N+](=O)[O-])c1Cl 750865332 SVXWFXUANJVXTB-UHFFFAOYSA-N 430.711 4.276 5 20 IIBD COCCN(Cc1ccc(C)o1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 750905358 OHGAXKVYHUKCRV-UHFFFAOYSA-N 431.670 4.201 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@H](C)c2nc(Cc3ccccc3)no2)CC1 752428316 NTYSDVXWQLRYTB-QGZVFWFLSA-N 449.511 4.296 5 20 IIBD O=C(Nc1ncc(C(F)(F)F)cc1Br)c1cc(F)c([N+](=O)[O-])cc1F 752922306 ARIAVPCANNFMOG-UHFFFAOYSA-N 426.095 4.302 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)c1ccc(-n2cccc2)nc1)c1cccc([N+](=O)[O-])c1 753295925 ZXSXTPCUIPAZLY-FQEVSTJZSA-N 448.479 4.022 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCc1cc2ccccc2s1 754762623 BEIWIUDHURDVAT-GOSISDBHSA-N 444.534 4.404 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N(CCN1CCCC1)c1ccccc1 755013888 QGKWJGXHWOMXMH-UHFFFAOYSA-N 436.281 4.239 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 755024302 LRDHPQNFTAGNKJ-INIZCTEOSA-N 442.216 4.241 5 20 IIBD C=CC(=O)Nc1cc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])ccc1F 758282963 YNXFYMMGXIHWSH-UHFFFAOYSA-N 427.310 4.052 5 20 IIBD O=c1cnc2ccccc2n1Cc1nc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)no1 761860467 YWGCSQVDRPMOQL-UHFFFAOYSA-N 441.403 4.195 5 20 IIBD O=C(O[C@@H]1CCO[C@@H]([C@@H]2CCOC2)C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 763109236 HDQLCSJISTYETE-HGHGUNKESA-N 429.494 4.487 5 20 IIBD O=[N+]([O-])c1nn(CN2CC=C(c3ccccc3C(F)(F)F)CC2)cc1Br 763232907 IPTAAVHKEVOPMI-UHFFFAOYSA-N 431.212 4.319 5 20 IIBD Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3cc([N+](=O)[O-])ccc3SCCO)o2)cc1C 763745866 WXXUVGNCOCXHMI-CQSZACIVSA-N 443.481 4.264 5 20 IIBD Cn1ncc([N+](=O)[O-])c1C(=O)O[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 766974827 YHUNMNJQIALGJI-QGZVFWFLSA-N 449.250 4.172 5 20 IIBD CC[C@@H](OC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)c1ccc(F)cc1F 768187735 SLPOYROUWTWSFJ-LJQANCHMSA-N 429.379 4.035 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Br)c1csc(-c2ncccc2F)n1 768796315 JJJLOYSAOZCNDN-UHFFFAOYSA-N 438.234 4.372 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)c1 771390719 MYRXADXPRLEWNN-SNVBAGLBSA-N 434.792 4.279 5 20 IIBD COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1 772884336 PZADRPQDCXKIGB-QGHHPUGFSA-N 441.253 4.011 5 20 IIBD CC(C)(C)OC(=O)N1CCc2ncc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)cc2C1 774023491 QHRKLQRFRNOEOO-UHFFFAOYSA-N 432.864 4.189 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 775551572 PFXPDXINDGCRIM-CYBMUJFWSA-N 436.390 4.261 5 20 IIBD Cc1nc(-c2ncccn2)sc1C(=O)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776136494 VRAMMEYMAFHYQV-QGZVFWFLSA-N 433.449 4.158 5 20 IIBD O=[N+]([O-])c1ccc([C@H](O)CSc2nnc(N3CCCC3)n2-c2ccccc2Cl)cc1 776273923 FJHZUNVSGXJKRI-GOSISDBHSA-N 445.932 4.255 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC[C@@H](Cn2cnc3ccccc32)C1 776550254 JVTWLEHTPPALTJ-GOSISDBHSA-N 433.512 4.097 5 20 IIBD O=C(O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)C1(c2ccccc2Cl)CCOCC1 778776921 NFTLOCLKIKBVTB-SFHVURJKSA-N 430.888 4.119 5 20 IIBD O=C(O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)c1nccnc1-c1nc2ccccc2s1 778777657 QOLJZWOJIBQPOE-INIZCTEOSA-N 447.476 4.097 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 780035683 PEMPQCDZXULAHG-LSDHHAIUSA-N 437.562 4.472 5 20 IIBD Cc1nn2cc(CCCOC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)cnc2c1C 781465660 VGYVCKDISPNCNJ-UHFFFAOYSA-N 426.476 4.130 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cc(Cl)ccc1OC[C@H]1CCCO1 781605643 DXENCGSHEKETRY-MRXNPFEDSA-N 449.847 4.286 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 783830822 JTVHTYDYHGGUSA-QWHCGFSZSA-N 431.411 4.179 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)C[C@H]21 784028057 BESBZMISNURZAQ-IOMROCGXSA-N 441.532 4.041 5 20 IIBD COC(=O)COc1ccc(/C=C(\c2ccncc2)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 788732619 OHWYBHUNIRFKTN-UNOMPAQXSA-N 435.392 4.039 5 20 IIBD COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(OC(F)F)c1 789236276 SUIPYVUBTJDSEX-VIFPVBQESA-N 444.774 4.042 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@H]2[C@@H](NC(=O)OC(C)(C)C)CCC[C@H]2C1 789446860 VJKAKZBIIAVPDG-BBWFWOEESA-N 432.521 4.369 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccc2c(c1)CCC(=O)N2CC1CC1 790569662 YYCPMQFYEQZEJR-UHFFFAOYSA-N 431.851 4.258 5 20 IIBD COc1cc(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)ccc1Cl 791174284 LBEMSBZXSQDIAV-UHFFFAOYSA-N 425.666 4.218 5 20 IIBD CN(C)c1cc(F)c(C(=O)NCc2cccc(Cn3cnc4ccccc43)c2)cc1[N+](=O)[O-] 791360106 QFBQRMCBTWGTRE-UHFFFAOYSA-N 447.470 4.128 5 20 IIBD Cc1nn(-c2ccccn2)c(Cl)c1/C=C1\N=C(c2c(Cl)cccc2[N+](=O)[O-])OC1=O 794686400 AUQLEKTUXMDIDZ-LCYFTJDESA-N 444.234 4.135 5 20 IIBD CCOC(=O)/C(=C\c1ccc(OC(F)F)c(Br)c1)c1ccc([N+](=O)[O-])cn1 794948162 DQFSQJDNUHKAJN-GHXNOFRVSA-N 443.200 4.457 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1 795055117 KXTDELFVZPRHNW-UHFFFAOYSA-N 447.852 4.256 5 20 IIBD C[C@H](OC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(Br)c1 796441534 ABTBKBHLZCRLRJ-LBPRGKRZSA-N 435.274 4.205 5 20 IIBD Cc1cc(OCC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccsc2)ccc1[N+](=O)[O-] 797739023 KGPSQKAQICNKOT-OAQYLSRUSA-N 426.494 4.106 5 20 IIBD Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 800734203 GTBLOHSROISXCS-UHFFFAOYSA-N 433.299 4.024 5 20 IIBD O=[N+]([O-])c1ccc(N2CCOCC2)c(-c2nc(Cc3cccc(C(F)(F)F)c3)no2)c1 809240013 ZXKKQKXAPDYLJB-UHFFFAOYSA-N 434.374 4.091 5 20 IIBD C[C@@H](c1nc2ccccc2s1)N(C)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F 809806878 VOPQYCRQHLCDFB-VIFPVBQESA-N 429.882 4.379 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@H](COCc3ccccc3)C2)c(Cl)cc1Cl 809821357 RFJKKAKDCHSYIH-AWEZNQCLSA-N 445.324 4.129 5 20 IIBD O=C(NC1CC1)c1ccc(CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C2CC2)cc1 809918870 QSUHIJBRDUARSI-UHFFFAOYSA-N 428.876 4.337 5 20 IIBD CCOc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811375537 DQGZZJPGSWZYLU-SNVBAGLBSA-N 427.240 4.484 5 20 IIBD C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 816996490 OJWSWZJQTVHXQG-PIGZYNQJSA-N 439.346 4.124 5 20 IIBD COc1cc(OC)c(NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)cc1Cl 821127227 FNKJITFUSXNREM-UHFFFAOYSA-N 441.676 4.373 5 20 IIBD CCN(C(=O)[C@@H](C)OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CCCCC1 841976130 YQURWGPCEKGVBQ-GOSISDBHSA-N 434.536 4.268 5 20 IIBD COc1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1ccc(Cl)cc1[N+](=O)[O-] 863996780 DBDIBMLWGFWSQQ-UHFFFAOYSA-N 439.921 4.044 5 20 IIBD Cc1nc2ccccc2n1CC(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 915810585 BZCZMNKHJTUNEW-UHFFFAOYSA-N 430.420 4.111 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCC([C@H](O)c2ccccc2)CC1 915853430 YLMFSDRMENFYKR-LJQANCHMSA-N 438.402 4.122 5 20 IIBD Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)o1 917332149 UZMICVLFVULRIE-UHFFFAOYSA-N 445.391 4.447 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)c1ccc(-n2ccnc2)cc1)c1cccc([N+](=O)[O-])c1 918633553 PNCSKLTZQHUZIC-NRFANRHFSA-N 448.479 4.022 5 20 IIBD Cn1cc([C@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 920406713 YYOJKMDGJFURRY-SFHVURJKSA-N 431.374 4.124 5 20 IIBD Cn1cc(CCCOC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cn1 920497558 WAAWQEIIRKBEQU-UHFFFAOYSA-N 427.844 4.002 5 20 IIBD C[C@@H](OC(=O)c1c(O)cccc1Cl)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 920730809 CIBWJPUCHGRMAD-SNVBAGLBSA-N 447.856 4.261 5 20 IIBD COc1ccc(NC(=O)COC(=O)/C=C\c2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])c1 1115819091 HLHAEXROQPKGDA-DJWKRKHSSA-N 425.224 4.105 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCc2cc(-c3csc(C)n3)ccc21 1251316081 JKHIVEXCNCVEGJ-UHFFFAOYSA-N 429.523 4.341 5 20 IIBD O=C(Nc1ccc(N2CCCC2)cn1)c1cc(Br)cc([N+](=O)[O-])c1Cl 1319724817 VJDOAFRFEQSTDC-UHFFFAOYSA-N 425.670 4.258 5 20 IIBD COc1ccc(Br)c(-c2nnc([C@@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)o2)c1 1341640766 SXFQCIXICYCKAG-INIZCTEOSA-N 445.229 4.282 5 20 IIBD CCc1cc(C(=O)NC2(c3ccc(NC(=O)Cc4cccc([N+](=O)[O-])c4)cc3)CCC2)no1 1785793730 ZVBDVWGKYMUWMB-UHFFFAOYSA-N 448.479 4.136 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)NC1(c2ccc(NC(=O)c3cccn3C)cc2)CCC1 1787267064 KHBATHPDFNANLR-UHFFFAOYSA-N 448.479 4.009 5 20 IIBD C[C@@H]1C[C@@]1(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 1799950574 FDJPLRSRLJGQDO-IRMNNIRPSA-N 427.526 4.107 5 20 IIBD Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(F)c3[N+](=O)[O-])CC2)o1 1824684651 IACPNLDOTOIGBE-LJQANCHMSA-N 443.475 4.182 5 20 IIBD Cc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C(F)F)CC2)cc(Cl)cc1[N+](=O)[O-] 1830735445 KSJABYKZVIYAMB-MRXNPFEDSA-N 443.878 4.055 5 20 IIBD CCC[C@H]1CC[C@H](C(=O)N2CCCC23CN(C(=O)/C=C/c2ccc([N+](=O)[O-])o2)C3)CC1 1846076090 ZMYPHARDEOKZEB-BUNFEBTESA-N 429.517 4.011 5 20 IIBD Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4840654 AASZJKNVGBHTCW-UHFFFAOYSA-N 425.485 4.422 5 20 IIBD COC(=O)c1ccc(C(=O)O[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)cc1 9479216 JNQJUXCFKMKOEE-NRFANRHFSA-N 448.431 4.227 5 20 IIBD C[C@H](OC(=O)c1ccc2ccccc2n1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 10663646 TUZAHUNVIVSSEN-ZDUSSCGKSA-N 448.460 4.451 5 20 IIBD Cc1c(NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)cccc1[N+](=O)[O-] 14798633 NDMTVYIRVNYIPE-UHFFFAOYSA-N 446.301 4.157 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1 16062655 JNIHQSFHDUERPU-SNVBAGLBSA-N 434.861 4.426 5 20 IIBD CSc1ccc(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1[N+](=O)[O-] 17717717 KCZWGMLNBSIPJY-JTQLQIEISA-N 430.398 4.193 5 20 IIBD CCOc1cc(C(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2C)c([N+](=O)[O-])cc1OC 18613511 QDHDCNIJIJFCTP-LBPRGKRZSA-N 436.848 4.148 5 20 IIBD COc1cccc(NC(=O)[C@H](OC(=O)c2cc([N+](=O)[O-])ccc2OC)c2ccccc2)c1 19284586 AQCDXPHLVCGPPC-OAQYLSRUSA-N 436.420 4.149 5 20 IIBD C[C@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1Br 21740502 NRUUCJRDKRFHBC-NSHDSACASA-N 439.287 4.020 5 20 IIBD C[C@@H](OC(=O)COc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1Oc1ccccc1 22095632 WBKOBVOTSITNBO-MRXNPFEDSA-N 436.420 4.336 5 20 IIBD CN(C)[C@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1cccc(F)c1 27590908 MGIIXHOACNBXOG-HSZRJFAPSA-N 436.487 4.379 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1[N+](=O)[O-] 27657575 NOPVSILWPJRWGR-UHFFFAOYSA-N 429.904 4.144 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 28856215 YLLHGXRUTBKMAF-SSDOTTSWSA-N 432.647 4.321 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CC1 31176670 RWPWVCSLDJIRDC-QFIPXVFZSA-N 427.476 4.184 5 20 IIBD C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)COc1cccc([N+](=O)[O-])c1 45830284 XCLWVSLGKQTEIK-KRWDZBQOSA-N 433.464 4.446 5 20 IIBD CN(Cc1cc(Br)cs1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 65060360 DWFNVYDZVHIUGL-UHFFFAOYSA-N 435.303 4.092 5 20 IIBD O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1Br 107280854 JQQOZEHCMCPRTF-UHFFFAOYSA-N 425.182 4.177 5 20 IIBD Cc1cccc(OCc2nnc(SCc3nc(-c4ccc([N+](=O)[O-])cc4)no3)o2)c1 107674685 RXNUZRMDRZQRAB-UHFFFAOYSA-N 425.426 4.208 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)Nc2c(F)cc(F)cc2Br)cc1[N+](=O)[O-] 216820785 MWBDDDONWSSYFV-UHFFFAOYSA-N 441.637 4.398 5 20 IIBD Cc1nc(CN2CCN(C(=O)c3ccc(SCCC(C)C)c([N+](=O)[O-])c3)CC2)oc1C 303272064 CNBOJDWSVQNFNA-UHFFFAOYSA-N 446.573 4.296 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)cc([N+](=O)[O-])c1 410400365 BKAMMLAVNLZCSR-UHFFFAOYSA-N 430.310 4.104 5 20 IIBD O=C(Nc1ccc2nc(-c3ccccc3)[nH]c2c1)c1cccc([N+](=O)[O-])c1N1CCOCC1 427804215 ZLSHNNFLBJLDBE-UHFFFAOYSA-N 443.463 4.227 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@@H]1C[C@H]1c1cccc2ccccc12 431149716 CYYTVVOQPSTQEP-VQTJNVASSA-N 431.448 4.108 5 20 IIBD COc1ccc([C@@H](NC(=O)COc2c(Br)cccc2[N+](=O)[O-])C2CC2)cc1 431221550 UNGNYVIPYXSUIQ-SFHVURJKSA-N 435.274 4.012 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 431777039 WCEAXMFBRBPTTQ-MRXNPFEDSA-N 433.258 4.106 5 20 IIBD C[C@@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)NC2CC2)cc1 431783328 HFZMJODJJUKCPK-CQSZACIVSA-N 425.489 4.174 5 20 IIBD COc1cccc(C(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)c1[N+](=O)[O-] 435559784 RHZZDJVCHBRJGK-UHFFFAOYSA-N 427.360 4.407 5 20 IIBD COc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)cc1OCc1cn2ccccc2n1 439000082 BXEYGWCBEHVGJB-UHFFFAOYSA-N 446.463 4.320 5 20 IIBD CN(C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] 441060734 VOLIHQWOJWPDMH-IMFGXOCKSA-N 441.553 4.070 5 20 IIBD CCN(C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccc(Cl)cc1F 441422523 KRYFMTYGDXXIBG-UHFFFAOYSA-N 435.868 4.334 5 20 IIBD Cc1ccc(NC(=O)Cc2noc(-c3cc(Br)cc([N+](=O)[O-])c3)n2)c(C)c1 445363576 FRIDMRSQOQVVLH-UHFFFAOYSA-N 431.246 4.205 5 20 IIBD O=C(Cc1noc([C@@H]2CC[C@H]3CCCC[C@@H]3C2)n1)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 445489760 GGUNFUQPIMEMRF-RBSFLKMASA-N 442.472 4.004 5 20 IIBD COc1cc(CN2CCC[C@H](c3nccn3C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 446854314 WUMJZQKAFPROGN-FQEVSTJZSA-N 436.512 4.296 5 20 IIBD O=C(Nc1cccc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1)c1cccc(F)c1 447530638 OVKPAEXGKICFSJ-LEWJYISDSA-N 437.475 4.456 5 20 IIBD O=C(c1cc(C(=O)N2CCc3cccc(F)c32)cc([N+](=O)[O-])c1)N1CCc2cccc(F)c21 461031143 YQJWZYBAQRTJNL-UHFFFAOYSA-N 449.413 4.279 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)c(OCC(F)(F)F)c1 463520651 RPSGLRUUFRLEBL-UHFFFAOYSA-N 441.387 4.193 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCCCC[C@H]1c1noc(-c2cnn(C)c2)n1 463958528 PEOZLIGZQSGYMB-KRWDZBQOSA-N 439.476 4.144 5 20 IIBD CC(C)N1CC[C@@H](NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1=O 466430812 KYOUPFHXRUYMDW-MRXNPFEDSA-N 433.917 4.139 5 20 IIBD Cc1ccc(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])c(OC[C@@H]2CCCO2)c1 466630933 NEVXCVGYOHHCJB-INIZCTEOSA-N 449.301 4.154 5 20 IIBD COc1cccc([C@H]2[C@H](NC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)CCN2C2CC2)c1 467216384 KFIPHXXMJBKSJO-RTWAWAEBSA-N 444.919 4.034 5 20 IIBD Cc1sc(S(=O)(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1[N+](=O)[O-] 467413191 WCWKRPZWUWBUFJ-CYBMUJFWSA-N 445.522 4.257 5 20 IIBD O=C(NCCN1CCSCC1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 467723782 GDAAGPUVEOCWCF-UHFFFAOYSA-N 437.974 4.178 5 20 IIBD C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C[C@]2(CCO[C@@H]2C)O1 468526342 CFKAJRONGFEUOQ-MCFFVMPBSA-N 434.558 4.286 5 20 IIBD COc1ccc(C(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)cc1[N+](=O)[O-] 468592072 ZIIDTONHDWUGKP-INIZCTEOSA-N 434.290 4.083 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 469059284 VRIJOEWWYVIGSP-QFBILLFUSA-N 427.526 4.459 5 20 IIBD COc1cc(C(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)c([N+](=O)[O-])cc1OC 472272667 AMUJTDMSEKFCNI-HXUWFJFHSA-N 427.844 4.180 5 20 IIBD O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 472285251 DEBVNVHIDDTBEH-OAQYLSRUSA-N 433.855 4.348 5 20 IIBD CC1(C)C[C@H](N(Cc2ccccc2)C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C(C)(C)O1 472733687 DTBHDFYYZQPMDD-IBGZPJMESA-N 443.475 4.047 5 20 IIBD O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 474778417 XGJSASCNLHZHOY-CYBMUJFWSA-N 449.286 4.446 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCN(CCc2cccs2)CC1 475209357 LXSYNADJJWTQBE-UHFFFAOYSA-N 428.436 4.067 5 20 IIBD O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1ccc([N+](=O)[O-])cc1Cl 475783856 ZVPSGUMEHRBTSZ-CQSZACIVSA-N 428.659 4.090 5 20 IIBD COc1cc(C(=O)Nc2ccc(F)c(NC(=O)c3ccoc3C)c2)cc([N+](=O)[O-])c1C 478708018 ZVMSWUDNSWFPLC-UHFFFAOYSA-N 427.388 4.457 5 20 IIBD CCC(CC)[C@@H]1C[C@@H](NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)CCO1 478772913 AUGKLYZPLSBBNR-SFTDATJTSA-N 428.533 4.170 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](NC(=O)CCCc2ccccc2)C1 479623155 UNHMOVMKAXJGMB-FQEVSTJZSA-N 438.528 4.347 5 20 IIBD CC[C@H](CN(CC)C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)c1ccccc1 482258462 CJJRWGWMHTUGKA-GOSISDBHSA-N 434.496 4.105 5 20 IIBD O=c1c(Cl)c(N2CCC[C@H]2Cc2ccc(F)cc2)cnn1-c1ccc([N+](=O)[O-])cc1 484821615 OKXLYOONSYWRMF-SFHVURJKSA-N 428.851 4.145 5 20 IIBD CSc1cccc(C(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)c1[N+](=O)[O-] 486247692 ZKZHYENFLZRVNQ-UHFFFAOYSA-N 442.541 4.384 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C(=O)Nc1cccc(N2CCCC2)c1 486282175 RYBHTFUJKLCDMP-HNNXBMFYSA-N 442.541 4.064 5 20 IIBD CCc1ccccc1O[C@@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 487068086 QOKRJOXIVVNHKJ-HSZRJFAPSA-N 434.496 4.338 5 20 IIBD Cc1ccc([C@H](C)NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1[N+](=O)[O-] 488030881 BZEANZMWUGHXHU-INIZCTEOSA-N 439.493 4.195 5 20 IIBD O=C(Nc1cccc(CSC2CCOCC2)c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 488467683 RDWBMCRJWJBPSW-UHFFFAOYSA-N 445.545 4.073 5 20 IIBD O=[N+]([O-])c1ccn(C2CCN(Cc3nc(O)c4c(-c5ccccc5)csc4n3)CC2)n1 489039301 LCAUWVUGGXVCQX-UHFFFAOYSA-N 436.497 4.006 5 20 IIBD COc1ccc(-n2c(SCCn3cc([N+](=O)[O-])cn3)nnc2-c2ccc(C)cc2)cc1 489430848 GZSMGCDKGMWVID-UHFFFAOYSA-N 436.497 4.148 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC4(CC3)OCCc3ccsc34)o2)c1 492578715 IIGMTUSARXZOSC-UHFFFAOYSA-N 425.510 4.418 5 20 IIBD O=C(CN[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)Nc1ccc(Cl)cc1[N+](=O)[O-] 494497588 XHNHHUHNTJEYGS-MAUKXSAKSA-N 428.247 4.099 5 20 IIBD O=C(NC[C@H]1CCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1)Nc1cccc(F)c1 497858845 CNERUNNJYXGXLL-CYBMUJFWSA-N 434.855 4.061 5 20 IIBD O=C(CCSc1ccc2c(c1)OCCO2)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 498149735 PZKUXPVUMFFEIW-HXUWFJFHSA-N 432.523 4.122 5 20 IIBD Cc1ccc(-c2csc(NC(=O)C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)n2)s1 499060509 YNSXRANTHRYACD-UHFFFAOYSA-N 444.538 4.166 5 20 IIBD Cc1cc(-c2csc(NC(=O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2)c(C)o1 500242324 VXYMUXMSRSVHFL-UHFFFAOYSA-N 442.497 4.304 5 20 IIBD Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 500743728 NJXVLUZWAXGSRF-UHFFFAOYSA-N 433.287 4.494 5 20 IIBD O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)Nc1ccc([N+](=O)[O-])cc1Cl 501130170 WZCCYNFQGBGOJP-GOSISDBHSA-N 439.299 4.097 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 501979586 OVWVCHJEYYOFDG-LJQANCHMSA-N 427.476 4.023 5 20 IIBD Cc1cc(C)c(-c2csc(NC(=O)Cn3cc(Cl)cc([N+](=O)[O-])c3=O)n2)cc1C 502118570 KGAKZWXESAFESR-UHFFFAOYSA-N 432.889 4.097 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1 503694462 CAGGWISMADPAQX-UHFFFAOYSA-N 427.819 4.309 5 20 IIBD Cc1ccccc1NC(=O)Cc1noc(-c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)n1 504361213 BFBCZGHLIMOSNX-UHFFFAOYSA-N 435.484 4.371 5 20 IIBD CCN(CCCN1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1 508194537 LJXWOLJXXUJSJY-UHFFFAOYSA-N 427.501 4.344 5 20 IIBD O=C(NCc1ccncc1OCc1ccccc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 509269659 VBMDLIXOHCEWGH-UHFFFAOYSA-N 432.480 4.443 5 20 IIBD Cn1cc(CNC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)cn1 509751741 PFOYTEKICAKMRH-UHFFFAOYSA-N 425.495 4.019 5 20 IIBD CCN(C[C@H](C)O)[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 510123237 HZJIBIGSTWOQRJ-MGPUTAFESA-N 440.525 4.101 5 20 IIBD CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]2CCCC[C@@H]12 513073999 FQVCAOKZMBWGDJ-ULAMTYHHSA-N 445.560 4.145 5 20 IIBD O=[N+]([O-])c1cc2c(c(CN3CCO[C@H](c4cc(F)c(Cl)cc4Cl)C3)c1)OCOC2 513447543 NTYRSWLFJQGFHZ-SFHVURJKSA-N 443.258 4.481 5 20 IIBD CC(C)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c(C(F)(F)F)c1 517923138 HQJACARHGDWSQN-UHFFFAOYSA-N 426.347 4.424 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CNc3cc(Cl)ccc3OC[C@@H]3CCCO3)n2)cc1 518701476 ZCDNUAIYPDJLHX-INIZCTEOSA-N 430.848 4.468 5 20 IIBD O=C(NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cc2cc([N+](=O)[O-])ccc2o1 518917077 WJVHCWUHYXYMQM-UHFFFAOYSA-N 430.342 4.476 5 20 IIBD C[C@@H]1CN(Cc2ccccc2NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)O1 522641500 LPIBMVLHOBTTKE-HZPDHXFCSA-N 447.919 4.265 5 20 IIBD COc1ccc(CNC(=O)N(Cc2ccc(Br)cc2)C(C)C)cc1[N+](=O)[O-] 523204812 ZCIDJJHJRRFIBY-UHFFFAOYSA-N 436.306 4.486 5 20 IIBD C[C@H](c1cccc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c1)N1CCOCC1 523950867 JMGUCUTVHLUBHS-OAHLLOKOSA-N 433.892 4.049 5 20 IIBD O=C(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)N1CCc2sccc2[C@H]1c1ccccc1 524115235 DCXDVSQZPSWRGG-JOCHJYFZSA-N 445.504 4.089 5 20 IIBD Cn1cc(C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 525216510 OITHWENYQKEAMN-UHFFFAOYSA-N 436.859 4.146 5 20 IIBD CC(C)n1ncc2cc(NS(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])cnc21 525237096 CXUQCSWOWQSNGJ-UHFFFAOYSA-N 430.273 4.028 5 20 IIBD CCCn1c(C)nnc1S[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 534766230 VQNNGZSJRYAFLV-NSHDSACASA-N 432.531 4.148 5 20 IIBD CN1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 535672566 VCHIOIWZDRLMJX-XIKOKIGWSA-N 426.275 4.464 5 20 IIBD Cc1c(NC(=O)CCN[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)cccc1[N+](=O)[O-] 537165255 UZVRPNWLRMFLDX-OAHLLOKOSA-N 425.464 4.216 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1nc(O)c2sccc2n1 538499641 DGOWBXMMGNEAFN-UHFFFAOYSA-N 432.527 4.470 5 20 IIBD COc1cc(C(=O)N(C)C[C@H](O)C(F)(F)F)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 540882108 IYLQKQBUDGYPMU-INIZCTEOSA-N 448.781 4.044 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H](c1cccs1)N1CCCC1 542335837 CVHBORFRIPWOME-HNNXBMFYSA-N 425.963 4.355 5 20 IIBD CCc1ccc([C@H](Nc2ccc(N3CC[C@@H](N(C)C)C3)cn2)c2ccc([N+](=O)[O-])cc2)o1 542499448 BXKFLGJDKOARBG-HYBUGGRVSA-N 435.528 4.487 5 20 IIBD COc1ccc(NC(=O)N[C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] 542960555 BLXKMEBGCOSIAX-QVKFZJNVSA-N 429.473 4.050 5 20 IIBD C[C@@H](NC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)[C@H]1CCOC1 543081281 RWAVVXVGSQLNTN-OCCSQVGLSA-N 437.855 4.404 5 20 IIBD COCCOCCOc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 546046115 RQQIVVZGCRZULB-UHFFFAOYSA-N 429.256 4.196 5 20 IIBD COc1cc(-c2nc(-c3cc(Cl)ccc3O[C@@H]3CCOC3)no2)cc([N+](=O)[O-])c1OC 546495544 WQMWRUQLADRQEW-CYBMUJFWSA-N 447.831 4.150 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)c1 549012242 KESMXSHEPCOILG-UHFFFAOYSA-N 440.500 4.060 5 20 IIBD CC(C)(NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)c1ccccc1[N+](=O)[O-] 553716235 XECRGXKXAKJRIH-UHFFFAOYSA-N 443.459 4.056 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N(C(C)=O)[C@H]2C[C@@H]2C)cc1 554659715 HJQPUOAGTHCHAU-XOBRGWDASA-N 443.525 4.347 5 20 IIBD COc1cc(Cc2noc(-c3ccc([N+](=O)[O-])cc3OC)n2)ccc1OCC(F)(F)F 589103309 ICBAEVYNKFROLY-UHFFFAOYSA-N 439.346 4.194 5 20 IIBD COCCN(C(=O)[C@@H]1Cc2ccccc2S1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 590614155 XISTYRDFWMFEIJ-IBGZPJMESA-N 441.534 4.415 5 20 IIBD COc1cc([C@H](C)NC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)ccc1OC1CCCC1 603719166 NIXWJJVMXHINRY-HNNXBMFYSA-N 441.484 4.049 5 20 IIBD O=C(NCCNc1ccccc1[N+](=O)[O-])c1cccnc1SCc1ccc(F)cc1 603732403 DJVNKJWNZQUHAN-UHFFFAOYSA-N 426.473 4.263 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cccc(COc2ccc3c(c2)OCO3)c1 603962889 IIAROSHAHUHLEU-UHFFFAOYSA-N 436.420 4.310 5 20 IIBD CNC(=O)c1ccc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Cl 604013415 HEELYQLFSIOLMR-UHFFFAOYSA-N 444.797 4.067 5 20 IIBD COc1ccc2[nH]cc(C3=CCN(C(=O)NCc4ccc(OC)c([N+](=O)[O-])c4)CC3)c2c1 604079196 YGWREGNAOJDAJY-UHFFFAOYSA-N 436.468 4.092 5 20 IIBD CCOc1cc(C(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)c([N+](=O)[O-])cc1OC 604103356 MUNUPPYNRJHKSW-UHFFFAOYSA-N 429.860 4.335 5 20 IIBD CN([C@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 609030206 MKVSKXGXKLWSBU-HNNXBMFYSA-N 425.304 4.055 5 20 IIBD CCOc1cc(NC(=O)N[C@H](c2nc(C3CC3)no2)C(C)C)c([N+](=O)[O-])cc1OCC 609046464 DEOAVKZRDSWWQE-KRWDZBQOSA-N 433.465 4.171 5 20 IIBD O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 609228421 TYXPGMOAEINVAG-UHFFFAOYSA-N 427.289 4.082 5 20 IIBD Cn1cnc([N+](=O)[O-])c1N1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 609443503 RDLHXCNXCNRZCL-LJQANCHMSA-N 426.521 4.021 5 20 IIBD O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N(Cc1ccco1)C12CC3CC(CC(C3)C1)C2 609443888 GMIVKSNJHCSIFV-UHFFFAOYSA-N 447.495 4.380 5 20 IIBD CC[C@@H]1CN(c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])C[C@H](C)O1 609513268 ZRIXZFFOTNYEHG-DLBZAZTESA-N 433.530 4.016 5 20 IIBD Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)SCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 609770250 HXTNALIDRJPHEE-JKSUJKDBSA-N 443.525 4.200 5 20 IIBD CN1CCCN(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)CC1 609818160 XZOBNIIWCDNHHM-UHFFFAOYSA-N 436.871 4.027 5 20 IIBD O=C(c1cnc(-c2ccccc2Cl)s1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 609838115 NYIYINVCJJHMDY-GFCCVEGCSA-N 429.889 4.093 5 20 IIBD O=C(NC1CCN(CC(F)F)CC1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 612534611 PPVIGIIVOCGMKC-UHFFFAOYSA-N 427.517 4.336 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H](Cn2cnc3ccccc32)C1 619544455 KSPYHEMGFNOWPT-CQSZACIVSA-N 443.301 4.259 5 20 IIBD O=[N+]([O-])c1nn(CNC2(c3ccc(Br)cc3)CCCC2)cc1Br 727167165 UGCVHJCNBGGXES-UHFFFAOYSA-N 444.127 4.333 5 20 IIBD COc1cc(C2SCCS2)ccc1OC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 727298451 SFQABDAPUUYVLK-UHFFFAOYSA-N 435.479 4.072 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1CCC[C@@H](C2OCCO2)C1 728054735 AZWMETJPJPIMQK-UZLBHIALSA-N 445.903 4.013 5 20 IIBD CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)OCc1c(F)cccc1[N+](=O)[O-] 728994743 VSZOIXKXRDLENX-HSZRJFAPSA-N 438.455 4.314 5 20 IIBD O=C1OC(c2c(F)cccc2Cl)=N/C1=C/c1ccc(Br)c([N+](=O)[O-])c1 730466426 MFEJMKSJQZDSDE-WUXMJOGZSA-N 425.597 4.494 5 20 IIBD O=C(NC[C@@H](O)c1cccc(C(F)(F)F)c1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 730898130 VYEYQDKIYRVXCH-CYBMUJFWSA-N 435.305 4.070 5 20 IIBD C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 732256522 GCUJBBDNIPGCSD-OAHLLOKOSA-N 436.434 4.076 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccc(-n3cccn3)cc2)cs1 732746332 IRQHOYKIHZGQRK-UHFFFAOYSA-N 434.481 4.222 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@H](O)c2cccc(OC(C)C)c2)CC1 735122911 XETOSUFNQIUQMO-QHCPKHFHSA-N 441.528 4.082 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 741957877 PAEZJEZYBAYKOT-SFHVURJKSA-N 437.861 4.200 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 742645282 OIMJJWYWTPXAFP-GFCCVEGCSA-N 445.438 4.379 5 20 IIBD O=C(COC(=O)Cc1cccc([N+](=O)[O-])c1)Nc1cc(C2CCCC2)nn1-c1ccccc1 745328822 GCZSQHMRJBQPIR-UHFFFAOYSA-N 448.479 4.163 5 20 IIBD Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1NC(=O)OC(C)(C)C 745453636 FMTXWYWJMPGYRU-CQSZACIVSA-N 443.456 4.434 5 20 IIBD COc1ccc(C(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1OC 747125048 RWOBNXZACCLIEE-JTQLQIEISA-N 427.331 4.059 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(N2CCc3sccc3C2)cc1 748691877 AAGAVRZCUNGLEH-UHFFFAOYSA-N 429.523 4.328 5 20 IIBD COc1cc(Cl)c(Cl)cc1C(=O)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 750441098 PUKRLLKOGGIJHH-UHFFFAOYSA-N 441.223 4.065 5 20 IIBD CC(C)(C)OC(=O)N1CCC(N(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C2CC2)CC1 751105081 AQSRHGWTYKTXDO-UHFFFAOYSA-N 444.532 4.173 5 20 IIBD Cc1ccc(Cn2nc(C)c(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)c2Cl)cc1 753287190 AJERXFUJSHSHOU-UHFFFAOYSA-N 427.844 4.150 5 20 IIBD Cc1cc(C)cc(OCc2noc(COC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)c1 754249042 IOKYMDKKYLCFPS-HNNXBMFYSA-N 443.481 4.398 5 20 IIBD COc1ccc(COCCCNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1 755024361 NKCVEEFIDNXDIU-UHFFFAOYSA-N 438.278 4.094 5 20 IIBD Cc1cc(C(=O)COC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c(C)n1Cc1ccco1 755066463 PWAHHJYOOOJOOG-AWEZNQCLSA-N 428.416 4.323 5 20 IIBD Cc1ccc(OC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1[N+](=O)[O-] 755251129 QZFSTCPZKRLHMX-UHFFFAOYSA-N 447.285 4.124 5 20 IIBD CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC[C@@H]1NC(=O)OC(C)(C)C 757037058 YZOSXVKEJXPOLB-JZXOWHBKSA-N 434.537 4.299 5 20 IIBD C[C@H](C[C@H](O)c1ccccc1)NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 759112124 XBPMNYZLTSFOJG-ACJLOTCBSA-N 425.407 4.044 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)O[C@H]1CCCN(C(=O)c2ccccc2Cl)C1 759337595 OPSUILPWOAVAFD-INIZCTEOSA-N 441.871 4.120 5 20 IIBD COc1ccccc1[C@@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])c1ccccn1 760270522 PGTJQJTXGZCXQH-LJQANCHMSA-N 449.435 4.196 5 20 IIBD CCN(Cc1noc(-c2cc(Br)c(C)c([N+](=O)[O-])c2)n1)C(=O)OC(C)(C)C 761945036 FJKMVQWLLFVYQL-UHFFFAOYSA-N 441.282 4.473 5 20 IIBD O=C(NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1(c2cccc(Cl)c2)CCCCC1 762281189 HRMPJJCZVKETIK-UHFFFAOYSA-N 436.917 4.096 5 20 IIBD COc1ccc(COCCCc2noc([C@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)n2)cc1 762352845 ONQLBMMSYIGLKF-HXUWFJFHSA-N 438.440 4.002 5 20 IIBD C[C@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 762978029 AQXKXGKWLSNBTJ-NSHDSACASA-N 444.375 4.274 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1nc(-c2ccc(Cl)cc2)no1 763811690 UBPRPNNTONDLFY-UHFFFAOYSA-N 449.872 4.394 5 20 IIBD O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccn(-c2ccc(F)cc2F)n1 766505620 LZZOKEWWYVJDGK-UHFFFAOYSA-N 426.335 4.071 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)CSc2nccc3ccccc23)cccc1[N+](=O)[O-] 767415250 VKOCDIVLGLOAMZ-AWEZNQCLSA-N 425.466 4.114 5 20 IIBD COc1ccc(CN(C)Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])cc1F 768201060 RRVQLTVSXAGAGD-UHFFFAOYSA-N 432.370 4.324 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Br)N1Cc2cccc(Br)c2C1 770144907 MQCOADLQSIFYMH-UHFFFAOYSA-N 426.064 4.276 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCCNc1ccc(C(F)(F)F)cn1 770620389 RSEHFSJBTBRPMD-UHFFFAOYSA-N 441.409 4.224 5 20 IIBD CCc1nc2ccccc2n1[C@@H]1CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 773188598 ONVSUIMQYCJMSM-GOSISDBHSA-N 444.495 4.170 5 20 IIBD O=C(Nc1ccc(F)cc1)C1CCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 774639755 YFQZWTKDWPEWAN-UHFFFAOYSA-N 431.855 4.045 5 20 IIBD CN(C(=O)C(C)(C)CNC(=O)OC(C)(C)C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 775495556 KNZRRCHWNOLFRR-UHFFFAOYSA-N 434.518 4.232 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCCCC1 779197699 FTNJLPBRBFZSQL-GOSISDBHSA-N 445.520 4.208 5 20 IIBD O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1cc(OCc2ccccc2)ccn1 779202720 OBDWODCQVDJTTK-UHFFFAOYSA-N 448.479 4.037 5 20 IIBD C[C@@H](OC(=O)COc1ccc2oc3c(c2c1)CCCC3)C(=O)Nc1ccccc1[N+](=O)[O-] 779231811 YTJURPZCEUMXAY-CQSZACIVSA-N 438.436 4.169 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2C(=O)CCC2=O)c(C)c1 779936316 NDLDPKKBYAIIAZ-UHFFFAOYSA-N 427.482 4.311 5 20 IIBD COc1ccc(C)cc1-c1csc(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 781585587 OVGFHTHPMTYSLV-LJQANCHMSA-N 438.465 4.167 5 20 IIBD Cc1ccc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(-c2nc(C3CC3)no2)c1 781695872 DFVWUBUCVMWOKK-UHFFFAOYSA-N 437.412 4.310 5 20 IIBD C[C@H](OC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1c(F)cccc1-n1cccn1 781735056 KGMGCXWHTXYCSI-ZDUSSCGKSA-N 428.376 4.065 5 20 IIBD O=C(Nc1ccccc1)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1ccc([N+](=O)[O-])s1 782246629 XBTATCUDVXXEMN-LJQANCHMSA-N 436.518 4.225 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 782460865 WQABCKIHMGXHDK-CABCVRRESA-N 443.422 4.228 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)OCc2nnc(-c3cc4c(s3)CCCC4)o2)c1 782805932 DYUGBNDLRJBRPS-UHFFFAOYSA-N 443.481 4.406 5 20 IIBD CCCCOc1ccc([C@H](C)NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OC 783307139 APTRFVKTRWOXOF-ZDUSSCGKSA-N 449.891 4.252 5 20 IIBD C[C@H](OC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccc(Br)c1 783573201 GEJYRZDURWBFCM-JTQLQIEISA-N 441.665 4.045 5 20 IIBD O=C(NCCc1nc2cc(Cl)ccc2s1)c1cc([N+](=O)[O-])ccc1N1CCCC1 785605783 RCDZECGIFMQBCI-UHFFFAOYSA-N 430.917 4.431 5 20 IIBD CC(C)C[C@H]1C[C@H](NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCO1 790812941 ITTSGSBGFMGZIF-KGLIPLIRSA-N 440.338 4.019 5 20 IIBD CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c1 792476437 WAEGFAQIJGRREH-LBPRGKRZSA-N 449.257 4.052 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)Nc1cccc(OCc2cccc(F)c2)c1 800626922 AAEZHWWEMCENLZ-UHFFFAOYSA-N 441.390 4.338 5 20 IIBD CS(=O)(=O)c1cc(COC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(C(F)(F)F)c1 800978703 NJSJOBFITSLLHP-UHFFFAOYSA-N 443.355 4.120 5 20 IIBD O=C(OCc1ncnn1CCF)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 801308953 AZNDNRHSQYHZMZ-UHFFFAOYSA-N 436.852 4.317 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)CCN(c1ncnc3sc([N+](=O)[O-])cc13)CC2 804648447 ZALBOKOWOMZIAT-UHFFFAOYSA-N 433.534 4.217 5 20 IIBD CC(C)(C)OC(=O)NCC[C@H]1CCCCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 805298250 PMAWXQQUUYVHQA-CQSZACIVSA-N 443.903 4.226 5 20 IIBD C[C@H](OC(=O)c1nc2ccccc2cc1Br)C(=O)Nc1cccc([N+](=O)[O-])c1 808703390 LSTBWMUPHHDJKU-NSHDSACASA-N 444.241 4.090 5 20 IIBD O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)Nc1cccc([N+](=O)[O-])c1Cl 809915492 PBLLTCGLUWYZGP-VIFPVBQESA-N 434.663 4.116 5 20 IIBD O=C(Nc1ccc(CC(F)(F)F)cc1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810397719 YUVKQAZLFPCKMM-UHFFFAOYSA-N 446.179 4.039 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 812146939 JLMSHGFBNGONRV-IIBYNOLFSA-N 437.500 4.096 5 20 IIBD C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813078723 QCCKIFMAVKXUQO-JQWIXIFHSA-N 432.304 4.419 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1nc(Br)ccc1Br 813245850 LYZBASPFSCIVOR-UHFFFAOYSA-N 435.459 4.421 5 20 IIBD Cc1nc(COc2ccc(F)cc2)sc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 818164639 MXIPRKBCPGILFW-UHFFFAOYSA-N 430.413 4.118 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc(CN3CCCCC3)cc2)cccc1[N+](=O)[O-] 857827591 CRBCGRMAUPXSID-KRWDZBQOSA-N 425.485 4.073 5 20 IIBD CC(C)[C@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1F 876754986 WIQRIGWUAVPQBS-INIZCTEOSA-N 439.237 4.317 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(=O)n(Cc2ccccc2)c1 916465266 PGCCYGNGNHMUQH-UHFFFAOYSA-N 435.483 4.003 5 20 IIBD CCCOc1c(Cl)cc(/C=C2/N=C(c3ccc(OC)c([N+](=O)[O-])c3)OC2=O)cc1OC 916547763 JGDURYFGYUVLDR-OQLLNIDSSA-N 446.843 4.399 5 20 IIBD CNC(=O)c1ccc(Cl)cc1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 917399516 ZLKKTUMTSCEVMY-UHFFFAOYSA-N 447.822 4.357 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 919228374 PNXTYOIKRKFPNQ-SECBINFHSA-N 442.211 4.302 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1)c1ccc(F)cc1 919954972 ZHDGOBSQSPPZNF-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cc2)cc1[N+](=O)[O-] 920286719 XTVBDJNGXGNJFT-LLVKDONJSA-N 427.335 4.244 5 20 IIBD CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 921115592 HQKNJRYPJVFTNW-ZDUSSCGKSA-N 444.435 4.107 5 20 IIBD CCCCCn1nc(-c2nnc(-c3cc([N+](=O)[O-])ccc3N(C)C)o2)c2ccccc2c1=O 1117186264 ZHXYOIVFJCFKFX-UHFFFAOYSA-N 448.483 4.278 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CCCC[C@@H]2C1 1256639057 OAEAUPQUPPAOPC-CHWSQXEVSA-N 428.270 4.160 5 20 IIBD O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1cccc(OCc2cccc(C(=O)O)c2)c1 1318372876 OHAZAONSLGBUQR-MTJSOVHGSA-N 444.399 4.217 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)C1CCN(Cc2ccc([N+](=O)[O-])cc2Br)CC1 1320712874 QUXCDPSNHQYTLL-CYBMUJFWSA-N 442.354 4.483 5 20 IIBD O=C(Nc1ccc(-c2ccc(Br)s2)nn1)N1Cc2ccc([N+](=O)[O-])cc2C1 1321584253 UDDGDPVXXARLDF-UHFFFAOYSA-N 446.286 4.424 5 20 IIBD COc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)c1Br 1342790991 MNXNHRXSUSNFEE-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@H]3C[C@H]3C3CC3)cc2)CCC1)c1ccc(O)c([N+](=O)[O-])c1 1786056785 NBKKILFMVWIWLR-OALUTQOASA-N 435.480 4.094 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccns3)cc2)CCC1)c1cc(F)cc([N+](=O)[O-])c1 1787204698 AYOCTAPXNSSIMO-UHFFFAOYSA-N 440.456 4.252 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1)c1cc2cccnc2[nH]1 1789313638 YMPPQCNQCQQYNM-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD COC(C)(C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(C)c([N+](=O)[O-])c3)cc2)CCC1 1790525032 ZHGHCDOFJTWQLU-UHFFFAOYSA-N 439.512 4.005 5 20 IIBD CC(=O)NC1(c2ccc(NC(=O)c3cccc(Br)c3[N+](=O)[O-])cc2)CCC1 1790751914 PEECUBMSDORKFY-UHFFFAOYSA-N 432.274 4.125 5 20 IIBD O=C(NC1(c2ccc(NC(=O)C34CC(C3)C4)cc2)CCC1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 1792035632 GOOLXXJYMPNHLZ-UHFFFAOYSA-N 445.479 4.019 5 20 IIBD C[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])o1)C2)c1ccccc1 1801747818 SUOLIWQSSSLYGG-FNXPFCEOSA-N 437.496 4.033 5 20 IIBD CCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)n[nH]1 1814969342 GJYSGCVAHZIJDN-XAVKZTDYSA-N 429.477 4.053 5 20 IIBD CC(C)(C)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)[nH]n1 1816756347 HNFRQJHDKIUHGT-LJQANCHMSA-N 441.532 4.379 5 20 IIBD Cc1occc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])n[nH]1 1823501364 RBFWIFXKJKSSPE-XTXLJPNXSA-N 449.467 4.239 5 20 IIBD O=C(c1cccc(F)c1[N+](=O)[O-])N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2C2CC2)CC1 1824072804 PWGPPSVCWZLMSV-ZJOUEHCJSA-N 443.519 4.013 5 20 IIBD Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC2)o1 1824684585 DHZAAQFGYOEEOZ-HXUWFJFHSA-N 443.475 4.182 5 20 IIBD O=C(c1ccc(-c2ccccc2)c(F)c1)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 1840966464 PBPNSTQNMREKJV-UHFFFAOYSA-N 449.438 4.125 5 20 IIBD O=C(c1ccc(F)s1)N1CC2(CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 1845738400 FHJJNTIKEJJOJZ-UHFFFAOYSA-N 445.497 4.141 5 20 IIBD Cc1ccc(C(=O)N2CCCC23CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C3)c(Cl)c1 1846808991 GCLRDQOOEAHNNJ-UHFFFAOYSA-N 441.915 4.006 5 20 IIBD Cc1cc(CCCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H]2CCC[C@H]2C)c([N+](=O)[O-])cc1F 1847713885 DHFOOUKVDHBFQU-NXXWWENFSA-N 445.535 4.003 5 20 IIBD C[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)Nc1ccccc1Cl 10723281 ZEHVWKKDJBRJQO-HNNXBMFYSA-N 434.879 4.379 5 20 IIBD Cc1ccc(Cl)c(OCC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c1 14377378 ZOSCWOAOMZZDOY-KRWDZBQOSA-N 434.876 4.135 5 20 IIBD Cc1c(NC(=O)CCC(=O)c2ccc(I)cc2)cccc1[N+](=O)[O-] 15790974 NYAURORYSATGOD-UHFFFAOYSA-N 438.221 4.109 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(C3SCCS3)cc2)c([N+](=O)[O-])c1 16833159 YYVWWWRCFLTFRX-LBPRGKRZSA-N 448.522 4.266 5 20 IIBD Nc1nc(COC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)nc2ccccc12 18326350 SBIOKTFVKNJJDL-UHFFFAOYSA-N 429.436 4.089 5 20 IIBD C[C@@H](OC(=O)c1cc(F)ccc1Br)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 18966173 IHVLTHUXRCEKPM-MRVPVSSYSA-N 445.628 4.334 5 20 IIBD O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])N[C@@H](c1ccccc1)c1cccs1 26909497 QRXICGQWGPFQSI-IBGZPJMESA-N 430.869 4.372 5 20 IIBD CC(C)(C)OC(=O)NCCNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 109308604 ZQVVCEDMFRFGQV-UHFFFAOYSA-N 435.864 4.295 5 20 IIBD O=[N+]([O-])c1cc2c(O)ncnc2cc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 301807899 YJHDAGPTCGYWFT-SECBINFHSA-N 425.392 4.103 5 20 IIBD O=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 303071491 PCIRDTSMCFZPFP-UHFFFAOYSA-N 427.392 4.435 5 20 IIBD COc1c(Br)cc(CNCCc2ccc([N+](=O)[O-])cc2)cc1Br 320205053 IKPROMNJCRJLLS-UHFFFAOYSA-N 444.123 4.461 5 20 IIBD CCCn1c2ccccc2c2nnc(SCCC(=O)Nc3ccccc3[N+](=O)[O-])nc21 409872609 VZLRORRGTRGGQD-UHFFFAOYSA-N 436.497 4.419 5 20 IIBD COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2OC)cc1NC(=O)c1cccc(F)c1 427288053 NLEPIKKQTVGQEI-UHFFFAOYSA-N 439.399 4.256 5 20 IIBD C/C(=C/c1ccccc1)CN(C)C(=O)c1ccc([N+](=O)[O-])cc1I 427561990 FVPVRVZZZCQLJN-RAXLEYEMSA-N 436.249 4.375 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@@H](C)C(C)(C)c2ccccc2)cc(Br)cc1[N+](=O)[O-] 430350609 IFDYYYKCZBEGPY-ZDUSSCGKSA-N 448.317 4.087 5 20 IIBD COC(=O)c1cccc(NC2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)c1 431398843 GWMHNXRHOXWJPX-UHFFFAOYSA-N 432.864 4.143 5 20 IIBD CC(C)n1c([C@H]2CCCN2S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])nc2ccccc21 433687165 CLJYRLZULWARFY-GOSISDBHSA-N 432.477 4.190 5 20 IIBD CN(C)c1ccccc1N(C)C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 435374215 HUEMKMCMGVBKBE-UHFFFAOYSA-N 434.283 4.430 5 20 IIBD CN1C(=O)c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Sc3cccs3)cc2C1=O 435447961 RXGGFOVRWKUXBG-UHFFFAOYSA-N 439.474 4.286 5 20 IIBD C[C@H](NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1ccc2c(c1)CCC(=O)N2 436072192 GABBVFKKHNUOQO-LBPRGKRZSA-N 447.441 4.335 5 20 IIBD O=C(Nc1nc(CC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cs1)c1cccs1 437470591 HZLDRIDJHAIRKY-UHFFFAOYSA-N 442.522 4.099 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCC[C@H]1c1ncc(-c2ccccc2)[nH]1 439204558 YOFHMYUUKZMVEC-IBGZPJMESA-N 426.498 4.209 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 439715619 PIFZMPYQXISXHS-LBPRGKRZSA-N 439.390 4.170 5 20 IIBD CC(C)CO[C@H](C)c1noc(CN(C)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)n1 444112213 BILJRJQIBCXKIC-OAHLLOKOSA-N 434.496 4.070 5 20 IIBD Cc1[nH]c2ccccc2c1C1=CCN(C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 446894828 RJFIBFIQBDNGPA-UHFFFAOYSA-N 430.468 4.260 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(-c3cccc(F)c3F)[nH]n2)c(C(F)(F)F)c1 446969748 PPYVXGQAIWLEFT-UHFFFAOYSA-N 448.329 4.083 5 20 IIBD Cc1ccc([C@@H]2OCCC[C@@H]2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 447027850 FULJHLFZXLEJIT-WMZOPIPTSA-N 444.431 4.121 5 20 IIBD CC(C)Oc1ccc(N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCOC2)cc1 461532008 IXGWAELTKRDAJX-QGZVFWFLSA-N 437.500 4.445 5 20 IIBD O=C(Nc1ccccc1)N1CCC[C@H](C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)C1 461705861 SNRBREIMIRDMFZ-LAUBAEHRSA-N 440.525 4.113 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 462753881 JPZOWDZNDKVWLH-WMZHIEFXSA-N 425.529 4.125 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1 462920777 BICQGDJOONTUNP-GOSISDBHSA-N 444.601 4.262 5 20 IIBD COc1cc(CN2CC[C@@](CO)(c3ccccc3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 463046367 ZTYQTLADWVAOFT-AREMUKBSSA-N 448.519 4.318 5 20 IIBD CN(CC(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1)c1ccccc1[N+](=O)[O-] 463101129 CNSVGTNTBOZZLR-UHFFFAOYSA-N 428.832 4.168 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN(CCCOc3ccccc3)C3CCOCC3)o2)cc1 464565726 ALPFTVWJXLABOH-UHFFFAOYSA-N 438.484 4.095 5 20 IIBD CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 464994373 NWWVHMSQKDGJFG-WBVHZDCISA-N 445.541 4.063 5 20 IIBD CCc1ccc(-c2csc(NC(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)n2)cc1 465137049 OECRLYOZULICGB-UHFFFAOYSA-N 425.466 4.233 5 20 IIBD O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)NCc1ccc([N+](=O)[O-])cc1Cl 466294681 AYOQGWUWRYTILN-OAQYLSRUSA-N 437.883 4.426 5 20 IIBD CCOc1c(Cl)cc(NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1Cl 466501370 BMNDKLGRNCNHHR-UHFFFAOYSA-N 446.674 4.322 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccccc1COc1ccccc1 467840302 GZUROJPEIXKWGZ-UHFFFAOYSA-N 439.855 4.082 5 20 IIBD COc1cc(OC)cc(N(C)C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 468158212 FZVNNDUTPHXQAN-OAHLLOKOSA-N 436.468 4.457 5 20 IIBD Cn1cc(C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 471558639 GLEYICJUDANMMO-UHFFFAOYSA-N 447.426 4.361 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCSC[C@H]1c1nccs1 472086914 ZOENULGDEIJDSP-AWEZNQCLSA-N 446.476 4.189 5 20 IIBD COC(=O)C[C@@](C)(NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)c1ccncc1 475093138 GCCZVRWTDJXUCK-XMMPIXPASA-N 434.496 4.326 5 20 IIBD CCC[C@H](O)CNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 475166633 XFXFISCCDAQWOT-QIPRVMPFSA-N 425.510 4.412 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@H](C)c2cc3cccc(F)c3o2)ccc1[N+](=O)[O-] 475795800 YJFVWTXETKMFPH-AUUYWEPGSA-N 439.443 4.271 5 20 IIBD O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 475853218 PXMXKQNOTMLWQQ-KRWDZBQOSA-N 448.248 4.191 5 20 IIBD Cc1c(C(=O)Nc2ccc(CNc3ccccc3)cc2)nnn1-c1cccc([N+](=O)[O-])c1 480043862 XJSWMUCRWVXANP-UHFFFAOYSA-N 428.452 4.348 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(C(=O)NC2CCCC2)cc1 481703575 UZJFFQMWRAVAHO-UHFFFAOYSA-N 430.892 4.285 5 20 IIBD O=C(N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 481950309 CRYXBKVGSNUJLG-HSZRJFAPSA-N 438.447 4.176 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)cc1SC 482870620 RCILXVIYIUIYNV-UHFFFAOYSA-N 445.497 4.103 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H](c1ccccc1)c1ccccn1 484715799 QJVIBRPRESSYEJ-HXUWFJFHSA-N 426.270 4.201 5 20 IIBD C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 487114714 OBKPDKSTPSOFLI-QGZVFWFLSA-N 441.553 4.071 5 20 IIBD CN(C(=O)Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)[C@H](c1ccccc1)c1ccc(F)cc1 487920069 QSHRGRQGBGMESK-XMMPIXPASA-N 445.450 4.297 5 20 IIBD CCc1c(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cnn1-c1cccc(Cl)c1 489085093 ZAMZCXRQYRBHHQ-UHFFFAOYSA-N 443.895 4.062 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Sc2nnc(CCCc3ccccc3)o2)c([N+](=O)[O-])c1 489680727 NAJYFPAKELOWHL-AWEZNQCLSA-N 442.497 4.281 5 20 IIBD Cc1c(NC(=O)[C@@H](C)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)cccc1[N+](=O)[O-] 490828720 YAPKCVNCVQHBSJ-HUUCEWRRSA-N 433.892 4.411 5 20 IIBD COc1ccc(CC(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)nc1 498388245 NNAKSYTVVAFJFX-UHFFFAOYSA-N 445.834 4.442 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccn(Cc3ccncc3)n2)cc1[N+](=O)[O-])c1ccccn1 499486911 KORAWPIWVMZFGY-INIZCTEOSA-N 443.467 4.055 5 20 IIBD COCCN(CC(C)C)C(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 501648576 XZDLLRBNTWMFAK-UHFFFAOYSA-N 430.526 4.292 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCC(CCCN(C)C)CC2)cc1[N+](=O)[O-])c1ccccn1 501651275 SCPDVWOMTLBMLY-GOSISDBHSA-N 439.560 4.357 5 20 IIBD CC1CCN(C2CCC(NC(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)CC2)CC1 502820907 BJLZWAHGHWOIIE-UHFFFAOYSA-N 444.576 4.191 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCC[C@H]1c1cccc(Cl)c1 502970021 GSNISNBZAPPASZ-KRWDZBQOSA-N 429.860 4.300 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NCC[C@H]1CCCCO1 504103758 MBAVWQNQVWOVSA-JOCHJYFZSA-N 434.496 4.065 5 20 IIBD CCOc1ccc(Oc2ccc(NC(=O)C(=O)NCc3ccc([N+](=O)[O-])cc3)cc2)cc1 506350613 VCZUUGIAQVVJLB-UHFFFAOYSA-N 435.436 4.041 5 20 IIBD O=C(c1ccc(N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1)N1CCOCC1 507030278 QAHJLLTYYKJUKI-MAUKXSAKSA-N 435.402 4.054 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)cnc1N1CCCC[C@H]1C 509353837 MUKNOYJAELCCKN-OAHLLOKOSA-N 430.530 4.014 5 20 IIBD C[C@H]1CN([C@@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c2ccccc2)CCO1 510571522 OWTVMEBZDVQDME-MGPUTAFESA-N 438.509 4.119 5 20 IIBD CCN(CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1)c1ccc(C(F)(F)F)cc1 512150610 WBMXCPLNFNFXRE-GOSISDBHSA-N 439.434 4.435 5 20 IIBD CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 515157371 UGZZRBXDGGYSRB-UHFFFAOYSA-N 442.390 4.215 5 20 IIBD CC(C)C(=O)Nc1cccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 515283364 HSGQQHUMHMHCKL-UHFFFAOYSA-N 425.363 4.383 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)NCc3noc(C(F)(F)F)n3)cc2[N+](=O)[O-])cc1 515916167 QJVMYFCAXROYRK-UHFFFAOYSA-N 438.387 4.386 5 20 IIBD COc1ccc(CCCN(C)C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 515986096 TYOMNMWARBVCCZ-UHFFFAOYSA-N 436.512 4.170 5 20 IIBD Cc1nn(-c2ccccc2)c2nc(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)ccc12 516056183 LXIXJGSQRWLTJM-UHFFFAOYSA-N 439.378 4.491 5 20 IIBD COc1cc(C(=O)NC[C@@H](C2CC2)N(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 518061531 DWQXFHDIYYIAAC-KRWDZBQOSA-N 433.892 4.119 5 20 IIBD O=C(Nc1ccc(F)cc1OC1CCOCC1)c1cc(Br)cc([N+](=O)[O-])c1 518148403 QRBZAXQDRMIJEF-UHFFFAOYSA-N 439.237 4.307 5 20 IIBD O=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)NCc1cccc([N+](=O)[O-])c1 522239159 GEHQJVDBQJATDS-UHFFFAOYSA-N 429.432 4.452 5 20 IIBD O=c1c2c(-c3ccccc3)csc2ncn1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 522684909 AWUQDQZIKUQNQW-UHFFFAOYSA-N 448.460 4.031 5 20 IIBD Cc1ncsc1CN(C)C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 522873372 YLSMSKRLPNRNDQ-UHFFFAOYSA-N 426.285 4.124 5 20 IIBD CS(=O)(=O)c1cc(C(=O)N[C@@H](CC2CCCCC2)c2ccccc2)cc([N+](=O)[O-])c1 523175801 PUAVBFXQTXNQOV-NRFANRHFSA-N 430.526 4.440 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccc(OCc2ccccn2)cc1 523955809 LVMYXSNICFRVQJ-UHFFFAOYSA-N 441.871 4.308 5 20 IIBD O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 525536892 RHGSZHVYSCTURF-QGZVFWFLSA-N 428.920 4.247 5 20 IIBD Cc1cc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n(C2CCN(C)CC2)n1 530951965 JFICMDJBWQMGBT-UHFFFAOYSA-N 448.527 4.231 5 20 IIBD O=C(CN1CCC(c2ccccc2F)CC1)Nc1ccc([N+](=O)[O-])cc1Br 533439665 VBMCMCNGGWYYLS-UHFFFAOYSA-N 436.281 4.315 5 20 IIBD O=C([C@@H]1COc2ccc(Br)cc21)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 534737263 QRNBIDNVHAYSJK-QAPCUYQASA-N 435.299 4.108 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1cccc2c1CN(c1ccccn1)C2 535290976 WNHDXZMUYAHRKX-UHFFFAOYSA-N 441.447 4.076 5 20 IIBD COc1ccc(Br)cc1[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 535506705 FXKRPTPWIAMYAS-SANMLTNESA-N 437.271 4.329 5 20 IIBD CCc1ccc(NC(=O)[C@H](C)[S@@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 535512148 XKIGDRJWFQDKCL-KJEZJMDVSA-N 427.482 4.088 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 536160389 IFGXOAXYJULINX-UHFFFAOYSA-N 443.385 4.140 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N[C@H]3CCO[C@]4(CCOC4)C3)cc2[N+](=O)[O-])cc1 536580454 GFEARFVAWWMGJY-HTAPYJJXSA-N 428.510 4.122 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3C[C@@H](O)CN3Cc3ccccc3)o2)c(Cl)c1 537321249 PJMVIRNTJYFBIB-RBUKOAKNSA-N 441.915 4.233 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@@H](c4n[nH]c(C5CCCCC5)n4)C3)o2)cc1 537562335 UENGZIJJGZSEPT-QGZVFWFLSA-N 437.504 4.190 5 20 IIBD Cc1cc(Br)cc(C)c1S(=O)(=O)n1cc(-c2cccc([N+](=O)[O-])c2)cn1 538668534 RDQHJHYLHOZKHX-UHFFFAOYSA-N 436.287 4.075 5 20 IIBD CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 539067007 YYVAOKPVMMVACC-UHFFFAOYSA-N 432.480 4.456 5 20 IIBD COC(=O)c1sc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)nc1C1CCCC1 543505180 QDDFHKKINSPIPS-UHFFFAOYSA-N 441.412 4.349 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(-c4n[nH]c(C5CC5)c4Br)n3)c2c1 545145721 LWPBEMWSXUUCLO-UHFFFAOYSA-N 429.234 4.080 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(Br)ccc2-n2cccn2)c1 549009494 KMWYUOGJTRBRPL-UHFFFAOYSA-N 431.246 4.194 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)NC(C)C)cc1 550253232 FLOQNVCRQFGREC-UHFFFAOYSA-N 435.278 4.448 5 20 IIBD COc1ccc([C@@H](CN[C@@H](c2cccc([N+](=O)[O-])c2)c2nccn2C)N2CCCCC2)cc1 552225195 DANWAHMEIWRJAT-RPWUZVMVSA-N 449.555 4.243 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)cc1[N+](=O)[O-] 552929371 GVAGDNBQGWQWFT-QRVBRYPASA-N 449.536 4.283 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 553880201 BKEMYMPBJLZQIW-UHFFFAOYSA-N 444.963 4.344 5 20 IIBD C[C@@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CCN(CC(F)(F)F)CC1 555511057 IBVYNWKILCXSQA-CQSZACIVSA-N 426.439 4.045 5 20 IIBD C[C@@H](c1nccn1-c1ccccc1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 557651357 WKKXIXIRABNMQV-LBPRGKRZSA-N 436.287 4.078 5 20 IIBD O=C(CN1CCC(c2noc3cc(F)ccc23)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] 558465453 CPGNBSSVOYAGFD-UHFFFAOYSA-N 432.839 4.347 5 20 IIBD COc1ccccc1SCc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1C 564362972 NBYGYHGBGTZMOU-UHFFFAOYSA-N 427.530 4.439 5 20 IIBD O=C(NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)c1cc2cc([N+](=O)[O-])ccc2o1 564511487 XRUBADPMZJHUNF-UHFFFAOYSA-N 446.341 4.426 5 20 IIBD COc1cc(Cc2noc([C@@H]3C[C@H]3c3cc(F)c(F)c(F)c3)n2)c([N+](=O)[O-])c(OC)c1 582991417 OKHKVTUNWZRKRW-QWHCGFSZSA-N 435.358 4.274 5 20 IIBD Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 588939951 ZNCMRTITZFTNGA-IBGZPJMESA-N 449.429 4.204 5 20 IIBD O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 601705548 OXKJQPFBZSOFDU-IMWZJCIKSA-N 434.492 4.486 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)Nc1nc2c(s1)CCCC2)c1ccccc1[N+](=O)[O-] 603646860 PKMPLRWVPHRONF-OAHLLOKOSA-N 432.502 4.135 5 20 IIBD O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 603736476 KLNRBCKTCGYJOR-UHFFFAOYSA-N 445.431 4.288 5 20 IIBD O=C(c1ccc(-c2nc3ccccc3s2)o1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 603904060 ZIHIEJVZMLLHRM-UHFFFAOYSA-N 434.477 4.427 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1 603974999 YUYAOTUQVIUYOV-UHFFFAOYSA-N 435.845 4.203 5 20 IIBD CCOc1cc(C(=O)N(Cc2ccccn2)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC 603996836 IXSNMGFKDXLUAZ-UHFFFAOYSA-N 425.416 4.383 5 20 IIBD COc1ccc([C@H]2CCCN2C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 604446888 HMZBDJUDPXUANY-CXAGYDPISA-N 434.876 4.396 5 20 IIBD O=C(c1ccc(NCCOc2ccccc2-c2ccccc2)c([N+](=O)[O-])c1)N1CCOCC1 604460673 JSHQQPPOJIXUPO-UHFFFAOYSA-N 447.491 4.225 5 20 IIBD COc1cc(C(=O)N2CCc3ccc(C)cc32)c([N+](=O)[O-])cc1OCc1cscn1 604503769 QMBJREVTAZHSIW-UHFFFAOYSA-N 425.466 4.150 5 20 IIBD CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 604519282 ZEKCTTVMXPCCSX-XUZZJYLKSA-N 437.540 4.438 5 20 IIBD C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)C(C)(C)c1ccccc1 609063350 AWPZDVXWLWFCFP-LBPRGKRZSA-N 438.265 4.296 5 20 IIBD COc1cc(C(=O)NCc2ccccc2Oc2cccc(F)c2)c([N+](=O)[O-])cc1OC 609375717 RPEVSDZAPGHNKC-UHFFFAOYSA-N 426.400 4.473 5 20 IIBD O=C(NCCc1nc(C2CCCCC2)cs1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 609489724 FYHDJOOJIOSQOP-UHFFFAOYSA-N 425.514 4.257 5 20 IIBD Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 609757669 PRRPPUHCOQFSEI-HXUWFJFHSA-N 440.519 4.044 5 20 IIBD CCC(CC)C(=O)N1CCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 609772980 LLGMZFSRYQTAEB-UHFFFAOYSA-N 440.500 4.499 5 20 IIBD Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)CCn3cc([N+](=O)[O-])nc3C)s2)cc1 610050910 QAHZRARAUQINKP-OAHLLOKOSA-N 427.530 4.450 5 20 IIBD CN(Cc1ccc(Br)cc1)C(=O)c1ccc([N+](=O)[O-])cc1Br 610059390 XUEYCAGMPLTMFT-UHFFFAOYSA-N 428.080 4.392 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1c(C(=O)O)sc2ccccc12 617718490 DNCGZGMLYDTUIA-UHFFFAOYSA-N 449.282 4.129 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3oc4c(F)cccc4c3C)CC2)ccc1[N+](=O)[O-] 619450488 QFZCUUFMTDPCRZ-UHFFFAOYSA-N 427.432 4.150 5 20 IIBD Cc1ccccc1-c1nc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cs1 727561389 JTPAHJHICKKMIK-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD CCN(Cc1cccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1)C(=O)C(F)(F)F 727806670 XIDZQEWDEHMXIX-UHFFFAOYSA-N 434.374 4.239 5 20 IIBD COc1ccc(-c2nsc(NC(=O)c3ccc(Br)c([N+](=O)[O-])c3)n2)cc1 728483596 BNRVTKZVLCWFKP-UHFFFAOYSA-N 435.259 4.137 5 20 IIBD Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)OCc3c(F)cccc3[N+](=O)[O-])c12 728987490 AIMRUMQSSNEOSY-UHFFFAOYSA-N 426.429 4.410 5 20 IIBD CCSc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 729656822 BWVQKZZIMHHCED-NSHDSACASA-N 437.880 4.491 5 20 IIBD Cc1ncc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)s1 732866713 QGPMLRTUGJUVEW-MLRMMBSGSA-N 444.494 4.067 5 20 IIBD O=C(O[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1ccc(Cl)cc1[N+](=O)[O-] 733429691 NDDFMGCDBMTWNJ-HNNXBMFYSA-N 428.750 4.229 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])O[C@H](C(=O)N1CCCCC1)c1ccccc1 735150236 NELBFLCJLXFUQC-NRFANRHFSA-N 446.887 4.314 5 20 IIBD CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 736009682 YEGWMHVBLVVHQT-UHFFFAOYSA-N 436.795 4.208 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 736211866 NDHYQLIKCORMFX-QFIPXVFZSA-N 443.931 4.434 5 20 IIBD Cc1ccccc1[C@H]1C[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 738395136 VNEWKMONSKHJHN-KBPBESRZSA-N 439.331 4.232 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cccc(-c2nc(C)cs2)c1 740407783 OQOOGZZOHCWFRI-CYBMUJFWSA-N 441.465 4.219 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 741175925 KOTJUZSNAHLVNL-UHFFFAOYSA-N 430.869 4.474 5 20 IIBD C[C@H](OC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(=O)Nc1cccc(C(F)(F)F)c1 744623491 QWGSKJMNRPEPBM-LBPRGKRZSA-N 435.358 4.139 5 20 IIBD CC(=O)N(c1ccc(F)cc1)c1nc(COC(=O)Cc2cccc([N+](=O)[O-])c2)cs1 745331594 ALYFCLGKAOZYNZ-UHFFFAOYSA-N 429.429 4.161 5 20 IIBD C[C@H](OC(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 745457000 BQESDSAUCVZIQK-XJKSGUPXSA-N 446.460 4.039 5 20 IIBD O=C(O[C@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 745567529 BINGQVRQERCMOO-HNNXBMFYSA-N 428.750 4.229 5 20 IIBD C[C@@H](OC(=O)CN(C)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1Cc1ccccc1 745616713 YZDBEYRCFMUPQY-GOSISDBHSA-N 447.491 4.192 5 20 IIBD O=C(N[C@@H](Cc1ccccc1)C(=O)OCc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 746058399 JBJRSYBBVNYEAY-FQEVSTJZSA-N 438.867 4.333 5 20 IIBD Cc1ccc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1Br 747046129 WLEGPYYGIIAEGW-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc(-c2noc(-c3ccc(-n4cncn4)c([N+](=O)[O-])c3)n2)c1 747867537 JNWAOKVAAZNFRY-UHFFFAOYSA-N 449.427 4.240 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(Cl)ccc2OC(F)F)c([N+](=O)[O-])c1 748917313 KXCXSDHBHACMNA-VIFPVBQESA-N 444.774 4.042 5 20 IIBD O=C(OCc1ccnc(-c2ccc(Br)cc2)n1)c1cc(F)cc([N+](=O)[O-])c1 750038603 XSAFQSPDXQQMFS-UHFFFAOYSA-N 432.205 4.310 5 20 IIBD COCCN(C(=O)c1cc([N+](=O)[O-])ccc1Br)c1nc2ccccc2s1 751072442 LCGQDIWEKPVNNT-UHFFFAOYSA-N 436.287 4.260 5 20 IIBD Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc([N+](=O)[O-])c(Br)cc1F 751693213 VRPBKZWUBFJQBQ-UHFFFAOYSA-N 445.628 4.254 5 20 IIBD COc1c([N+](=O)[O-])cc(NC[C@@H]2CCCO[C@@H]2C(C)C)c([N+](=O)[O-])c1Br 751967862 IHOWUWXQCZQWGB-ZUZCIYMTSA-N 432.271 4.137 5 20 IIBD COc1cc(F)c([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2Br)cc1OC 753826294 MLGDPSDTOYMSNK-VIFPVBQESA-N 427.226 4.005 5 20 IIBD C[C@H](C(=O)OC[C@H]1CC(=O)N(C)[C@@H]1c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1F 755693590 AOZRKKVDPNJHIP-KBARZSOFSA-N 434.851 4.254 5 20 IIBD C[C@@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1nc(Cc2ccccc2)no1 756528809 PAHZKCQQDAIJIO-GFCCVEGCSA-N 446.257 4.178 5 20 IIBD C[C@@H](OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)N(C)Cc1c(F)cccc1Cl 758735786 KMTZXPQTKBNJCP-GFCCVEGCSA-N 447.850 4.001 5 20 IIBD Cc1nn(CC(C)C)c(C)c1CCC(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760471044 MKNCTYUHEWAINU-UHFFFAOYSA-N 426.473 4.395 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H](c1ccccc1)N1CCCCC1=O 760514106 DYHSSNJTFLCAQW-OAQYLSRUSA-N 435.436 4.047 5 20 IIBD COc1ccc(OC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c(Br)c1 763648656 FTPCXPURZADORX-UHFFFAOYSA-N 448.172 4.195 5 20 IIBD C[C@@H](C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(Br)cc1 767000601 FTLZDOSIDYWYSZ-LLVKDONJSA-N 432.230 4.254 5 20 IIBD Cc1oc2ccccc2c1CC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 767721665 GHGWGQQWOUJNCM-UHFFFAOYSA-N 436.342 4.393 5 20 IIBD COc1ccc(-c2ccc(CN3CCC(NC(=O)OC(C)(C)C)CC3)o2)c([N+](=O)[O-])c1 768344521 HITXEQQCORASJT-UHFFFAOYSA-N 431.489 4.353 5 20 IIBD C[C@H](Sc1nnc(CCCc2ccccc2)o1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 768399845 XAFZOCMZUQTOBQ-ZDUSSCGKSA-N 430.461 4.412 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCC(O)(Cc2ccc(F)cc2)CC1 772214745 SKAYXAASSQWACE-UHFFFAOYSA-N 443.353 4.235 5 20 IIBD CC[C@H](NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H](c1ccc(C)cc1)n1cncn1 773101346 BNWLFCHJZYAVKQ-ZEQRLZLVSA-N 434.544 4.121 5 20 IIBD C[C@H](N[C@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 775100295 CKJKPNGCDXZZBC-OLZOCXBDSA-N 430.892 4.275 5 20 IIBD CSc1cccc(C(=O)O[C@H](C)C(=O)N(C)Cc2nc3ccccc3s2)c1[N+](=O)[O-] 777073189 BDEBAMPPUHOLIW-GFCCVEGCSA-N 445.522 4.130 5 20 IIBD COc1ccc(CN(C)C(=O)[C@@H](OC(=O)c2cccc(SC)c2[N+](=O)[O-])C(C)C)cc1 777074626 WVSCRNRPJBFQFP-FQEVSTJZSA-N 446.525 4.165 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)c1csc(-c2ccccc2F)n1 778804221 VIASGOSDOZYZBE-CYBMUJFWSA-N 431.420 4.432 5 20 IIBD COc1cc(COC(=O)c2c(C)nn(C(C)(C)C)c2C)c([N+](=O)[O-])cc1OCC(F)F 780059006 JJJFAZHNPHOLEH-UHFFFAOYSA-N 441.431 4.173 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)NOCc2ccc(F)cc2Br)cc1[N+](=O)[O-] 780522329 DIXBNCAICZWZHR-LLVKDONJSA-N 426.242 4.297 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 780634992 UKRYQVMNLMTUGI-UHFFFAOYSA-N 429.410 4.171 5 20 IIBD C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781607328 ROWKDSIIWCDWJN-LBPRGKRZSA-N 441.362 4.038 5 20 IIBD Cc1cccc(Cl)c1NC(=O)COC(=O)c1cccc([N+](=O)[O-])c1Br 781675291 RMNRFRRITNQLCO-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCc1ccccc1NC(=O)c1ccco1 781813950 WTSRDTNKOXGCKB-UHFFFAOYSA-N 439.380 4.024 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)cc1[N+](=O)[O-] 784349478 DTKICELJESAEFM-WNHJNPCNSA-N 446.548 4.299 5 20 IIBD COc1ccc(C(=O)OC2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)c(OC(C)C)c1 789380575 VEXJVUMRAXVCOK-UHFFFAOYSA-N 444.484 4.225 5 20 IIBD O=C(C[C@H]1CCc2ccccc2C1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791175023 RZBMGZFJVXSCKF-AWEZNQCLSA-N 429.314 4.437 5 20 IIBD CN(C)c1cc(F)c(C(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)cc1[N+](=O)[O-] 791210023 RKMPBJYQRIFUFO-UHFFFAOYSA-N 436.415 4.378 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)OC[C@H](OC(C)C)c2ccccc2)ccc1[N+](=O)[O-] 795371599 PRYBXTKDKPCMNO-VXKWHMMOSA-N 440.496 4.217 5 20 IIBD CN(Cc1cc2ccccc2o1)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O 795430726 BHOPSXUUEMGXMP-UHFFFAOYSA-N 430.258 4.149 5 20 IIBD CC(C)C(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc1 796439171 GYSYMGHWAJZTIN-OAHLLOKOSA-N 426.469 4.282 5 20 IIBD O=C(c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O)N(Cc1ccccc1F)C1CC1 798153081 NGTQVMCHYUAHPD-UHFFFAOYSA-N 430.823 4.083 5 20 IIBD CS(=O)(=O)[C@@H]1CCN(C(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)C1 800632253 HKNGUJIPUFELPD-LJQANCHMSA-N 433.529 4.192 5 20 IIBD C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)OCc1c(F)cc([N+](=O)[O-])cc1F 803284946 VXXNUUZQEYFSRR-MRVPVSSYSA-N 433.194 4.042 5 20 IIBD Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)OCc3c(F)cc([N+](=O)[O-])cc3F)C2)c1 803295615 XQSRGXVCEIMRNL-CQSZACIVSA-N 433.411 4.169 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N(Cc1ccccc1)C[C@H](O)c1ccccc1 804410698 KDLQAJCTYQZKGL-DEOSSOPVSA-N 442.475 4.157 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC(O)(c2ccccc2C(F)(F)F)CC1 804653219 OBUHNUBAVQQRRQ-UHFFFAOYSA-N 438.402 4.197 5 20 IIBD CC[C@H](C)N[C@@H](CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccco1 806367904 SMSOUPVBJJYRGL-FZMZJTMJSA-N 425.283 4.201 5 20 IIBD COc1ccccc1[C@@H](CC(C)C)OC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 809239598 FSRKJTMYLISWNB-HXUWFJFHSA-N 440.452 4.201 5 20 IIBD COC[C@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F 809838932 FEGGJLJPIFCIGX-OAHLLOKOSA-N 437.276 4.049 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@]2(CCc3ccccc3O2)C1 809882798 AHXBUKKDAHQJNW-LJQANCHMSA-N 432.274 4.359 5 20 IIBD CCOc1ccc([C@H](O)C2CCN(CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])CC2)cc1 812865407 ZXKWOXKBFHFNGI-QFIPXVFZSA-N 447.919 4.031 5 20 IIBD CSc1ccccc1NC(=O)CN(C)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 812870502 KNBYOMHPMXHWSK-UHFFFAOYSA-N 428.297 4.334 5 20 IIBD O=C(N=c1cc[nH]cc1)c1cccc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 812959369 BTLSDUYCXJENIW-UHFFFAOYSA-N 431.235 4.223 5 20 IIBD Cc1cccc(C(=O)N2CCC[C@@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)c1[N+](=O)[O-] 814426922 BIYBAHPKJAWTMC-QZTJIDSGSA-N 431.533 4.403 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 814429600 WUANPFVNBFXFOD-IAGOWNOFSA-N 447.532 4.103 5 20 IIBD C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(C(F)(F)F)nc1Cl 815050355 XLEONNZTOCNOLB-SSDOTTSWSA-N 444.218 4.355 5 20 IIBD CCc1ccccc1N(C(C)=O)c1nc(COC(=O)c2ccc([N+](=O)[O-])cc2N)cs1 817988275 MZEUABMEGDRTEO-UHFFFAOYSA-N 440.481 4.238 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc1[N+](=O)[O-] 912415178 HMLSZFRZEGFVLQ-IBGZPJMESA-N 432.864 4.032 5 20 IIBD CCN(C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cccc(F)c1 914522832 ZFVGAYNJQDUAJS-UHFFFAOYSA-N 444.440 4.168 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C(=O)Nc1ccccc1C(F)(F)F)C(C)C 915373685 FYHGRHGLTHZHQA-QGZVFWFLSA-N 440.374 4.442 5 20 IIBD CC1CCN(C(=S)SCC(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)CC1 915865448 VSPMDHGXLVQJJY-UHFFFAOYSA-N 449.520 4.236 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1F)/C(=C\c1cccs1)n1nnnc1-c1ccccc1 916667047 HJAQDJJYGOTNJB-LDADJPATSA-N 436.428 4.086 5 20 IIBD O=C(COC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 919369439 KADHNUVAPRZNMZ-VHSXEESVSA-N 442.312 4.464 5 20 IIBD C[C@H](OC(=O)c1scnc1Cl)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 919416270 VWSPYSMRLQNGCM-QMMMGPOBSA-N 438.874 4.012 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)OCc1cn(-c2ccccc2)nc1-c1ccccc1 920906686 CKFXASQWNPTTTG-UHFFFAOYSA-N 431.452 4.086 5 20 IIBD CC(C)(C)c1ccc2c(c1)CCN(C(=O)CCCn1c(=O)oc3cc([N+](=O)[O-])ccc31)C2 1318024200 XDYBKHYWHLWBGP-UHFFFAOYSA-N 437.496 4.165 5 20 IIBD CN(Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@@H]1CCN(CC(F)(F)F)C1=O 1319949265 ZEPPABNAJMBUCH-CQSZACIVSA-N 431.798 4.103 5 20 IIBD COc1cccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1Br 1320627396 CERABTFGGYPXPK-UHFFFAOYSA-N 430.052 4.381 5 20 IIBD C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1N)c1ncc(-c2ccccc2)o1 1322737409 VSRHMKVGAXJDSQ-JTQLQIEISA-N 431.246 4.086 5 20 IIBD COc1ccc(Cl)cc1N1C[C@@H](c2nc(-c3cc(C)c([N+](=O)[O-])cc3C)no2)CC1=O 1323915015 OKBXIXNFOOQBMC-ZDUSSCGKSA-N 442.859 4.444 5 20 IIBD COc1ccc(-c2nnc(-c3cc([N+](=O)[O-])c4nsnc4c3)o2)cc1Br 1324203379 BEFCHWSOBWPUKV-UHFFFAOYSA-N 434.231 4.088 5 20 IIBD COc1cc(OCC(=O)Nc2ccc(F)c(NC(=O)OC(C)(C)C)c2)ccc1[N+](=O)[O-] 1337873096 MQVJWURVSXXKCL-UHFFFAOYSA-N 435.408 4.107 5 20 IIBD CC(C)(C)OC(=O)[C@@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 1339049622 RCVNYGXSHWAFAQ-INIZCTEOSA-N 435.274 4.170 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3n[nH]cc3[N+](=O)[O-])CCC2)cc1)c1ccccc1C1CC1 1792086038 AARRREAAXGLPLD-UHFFFAOYSA-N 445.479 4.257 5 20 IIBD CC(C)(Cc1ccccc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cccc([N+](=O)[O-])c1 1792474109 HYAUQCWORADWFM-KOUNCHBCSA-N 449.551 4.044 5 20 IIBD Cc1cc(Cl)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc([N+](=O)[O-])o2)c1 1793277355 HSNDCPYKSCFKCX-KCNDMKMYSA-N 443.887 4.115 5 20 IIBD O=C(c1ccc(F)s1)N1CCCC2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)C1 1807288972 SCUARWZKAWVFPM-UHFFFAOYSA-N 449.479 4.093 5 20 IIBD CC[C@H](C)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])c(OC)c2)[nH]n1 1815047638 RHXXRWIGRBROOO-YOEHRIQHSA-N 443.504 4.069 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)C(F)F)[nH]n1)c1cc2cc([N+](=O)[O-])ccc2s1 1821609878 OEPKKALWNLHKJE-CYBMUJFWSA-N 449.439 4.104 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(C)C)n[nH]1 1821933342 VFTPMYHPCQOFGI-QGZVFWFLSA-N 443.504 4.074 5 20 IIBD CC(C)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cc(F)ccc2[N+](=O)[O-])CC1 1832889295 UPVHYGDYKJCXFW-OAQYLSRUSA-N 447.551 4.332 5 20 IIBD CN(C(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1CCCCC1 14003568 BMFJLLPOOZWZQE-UHFFFAOYSA-N 426.429 4.160 5 20 IIBD Cc1csc(Sc2ccc(C(=O)O[C@H](C)C(=O)N3CCCCCC3)cc2[N+](=O)[O-])n1 16903661 HHAUMAVTAQRURP-CQSZACIVSA-N 449.554 4.459 5 20 IIBD CNc1ccc(C(=O)O[C@@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)cc1[N+](=O)[O-] 17231815 RURKWNCGLPPUOU-OAQYLSRUSA-N 435.436 4.182 5 20 IIBD Cc1cc(=O)c(C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)nn1-c1ccccc1[N+](=O)[O-] 19311500 LTVJTUDUFCBGNI-UHFFFAOYSA-N 446.507 4.377 5 20 IIBD C[C@H](OC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 19426183 XETUEEDQBDAWSB-LBPRGKRZSA-N 447.419 4.265 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cc(-c2nnc3n2CCCCC3)ccc1Cl 22498418 OXMZFNFPUKZOJK-UHFFFAOYSA-N 441.875 4.251 5 20 IIBD C[C@@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)N1CCC[C@H]1c1cccs1 22559832 DQWGLXHOMDOIEZ-QAPCUYQASA-N 443.525 4.166 5 20 IIBD Cc1nc(CSc2ccccc2C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])cs1 23214418 SOROTJFOLUIAAH-UHFFFAOYSA-N 443.506 4.448 5 20 IIBD CCCCN1C(=O)CC[C@H](C(=O)OCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1OC 28237498 JSWIRCUCAAPVDJ-NZQKXSOJSA-N 440.496 4.427 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NC[C@@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-])c1ccccn1 108751726 BSUWRYQICIBQMU-HXOBKFHXSA-N 433.512 4.196 5 20 IIBD O=C(Nc1ccccc1Br)C1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 301090711 SGONXGZNUIOQBW-UHFFFAOYSA-N 449.261 4.121 5 20 IIBD O=C(NC[C@H]1CCN(C2CC2)C1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 303371854 KGPQXZKZEJGPPE-OAHLLOKOSA-N 428.920 4.074 5 20 IIBD CC(C)(C)OC(=O)[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 427405290 DSWJNRZNQUFKMJ-SFHVURJKSA-N 449.301 4.099 5 20 IIBD CCN(CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 430828083 RFKCEEIYBNLTEW-YOEHRIQHSA-N 431.455 4.166 5 20 IIBD O=C(NC1CCN(c2ccccc2)CC1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436158532 YOQOFZGFPRHAQV-UHFFFAOYSA-N 433.458 4.358 5 20 IIBD CC(=O)Nc1cc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)ccc1F 439233697 ZUOOMORGXJGQEF-UHFFFAOYSA-N 443.456 4.088 5 20 IIBD Cc1c(CNC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)sc2ccc(Cl)cc12 441132122 CHCGSXKOOGHEEO-UHFFFAOYSA-N 438.914 4.105 5 20 IIBD O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1CCOC[C@@]12CCOC2 441506780 RKXLVRRRDVERRY-FQEVSTJZSA-N 434.901 4.031 5 20 IIBD COCCN(C(=O)Cc1cccc(F)c1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 445664425 KVBMSAKJCQUAME-UHFFFAOYSA-N 433.436 4.219 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2 446489234 WHXCYFNRYGENPC-ROUUACIJSA-N 431.439 4.314 5 20 IIBD C[C@@H](c1cccc(Cl)c1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 447019884 YZCIPFWEXYCBRZ-JTQLQIEISA-N 433.711 4.392 5 20 IIBD O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)N1CCOc2ccc([N+](=O)[O-])cc2C1 460366680 SIENHUNCYMSBHZ-OAQYLSRUSA-N 438.871 4.337 5 20 IIBD C[C@@H](c1ccccc1F)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 461646239 KQDDZIBZSCWKQE-JKSUJKDBSA-N 425.464 4.226 5 20 IIBD Cn1c(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc2cc(C(F)(F)F)ccc21 463381798 PHCKPWIGDHMKQE-UHFFFAOYSA-N 432.402 4.068 5 20 IIBD CC[C@](NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])(C(N)=O)C(C)C 466249308 LEKFMUBOLMXHHQ-HXUWFJFHSA-N 435.933 4.419 5 20 IIBD O=C(NCc1cccc2cc[nH]c12)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 466878576 UETXJCOXNXSPDK-UHFFFAOYSA-N 447.417 4.127 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N(Cc1ccccn1)c1ccc(Cl)cc1 466990134 BEJKQGSDPHABCB-UHFFFAOYSA-N 439.855 4.190 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1ccc(F)cc1C(F)(F)F 467413027 VQUWVSABHOSENB-UHFFFAOYSA-N 443.172 4.316 5 20 IIBD O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)Nc1cc(F)cc([N+](=O)[O-])c1 470150929 JIRYZMXHGWZHQC-GFCCVEGCSA-N 437.269 4.144 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] 471528361 SWPIZEYACGQANH-RHSMWYFYSA-N 441.488 4.080 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]23)cc1[N+](=O)[O-] 472898247 OESXGNVDGCWKIC-QWFCFKBJSA-N 440.521 4.235 5 20 IIBD COc1c(C(=O)Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)cccc1[N+](=O)[O-] 475457086 LAFLLJKGVMOIRA-UHFFFAOYSA-N 445.475 4.378 5 20 IIBD COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])c(C)cc1C 479488290 KLYHDYFECAQCAY-UHFFFAOYSA-N 428.894 4.081 5 20 IIBD Cn1cc(CN[C@@H]2CCN(c3ccccc3C(F)(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 479873020 LBYVURRPYNPTNE-QGZVFWFLSA-N 445.445 4.383 5 20 IIBD COc1cc(CNCc2c(Cl)cccc2OC)c([N+](=O)[O-])cc1OCC(F)(F)F 480306875 CUNCDEKLGCUQPX-UHFFFAOYSA-N 434.798 4.496 5 20 IIBD CC(C)n1nccc1C(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 480523729 GXWFTZFFIRWIOA-UHFFFAOYSA-N 439.541 4.059 5 20 IIBD C[C@H](NC(=O)N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1cccc([N+](=O)[O-])c1 481064654 XUGBOYYYZJDOEZ-XOBRGWDASA-N 437.418 4.376 5 20 IIBD C[C@@H]1CN(C(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C[C@H]1CO 481933772 IKDFHSCFSMDCSV-MHLFYXQLSA-N 437.521 4.222 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1 481960615 CUAOVYBBCSBBJX-UHFFFAOYSA-N 446.529 4.420 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)Sc1nnc(N2CCOCC2)n1-c1ccccc1 484673692 ZUBLCNALRSKDBN-INIZCTEOSA-N 425.514 4.174 5 20 IIBD COc1ccc(Oc2cc(CNC(=O)c3cccc(SC)c3[N+](=O)[O-])ccn2)cc1 485757831 NPXOMJWVBMCTHH-UHFFFAOYSA-N 425.466 4.443 5 20 IIBD O=C(NC[C@H](Cc1ccc2ccccc2c1)C(=O)O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 486402275 FZNFJQHFKXZOHJ-NRFANRHFSA-N 447.491 4.022 5 20 IIBD Cc1ccc([C@H](C)NC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)cc1[N+](=O)[O-] 488046324 TXJITPVRGUNVLT-KRWDZBQOSA-N 438.505 4.368 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCN(C(=O)c3ccsc3)CC2)cc1[N+](=O)[O-] 490095706 QBEPNVMATZMXRP-UHFFFAOYSA-N 447.582 4.393 5 20 IIBD COC(=O)[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)Cc1ccc2ccccc2c1 498908191 IILPSUMHYUNOLD-LJQANCHMSA-N 433.464 4.077 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3[C@@H](C)COC[C@@H]3c3ccccc3)cc2)c(C)c1[N+](=O)[O-] 499347371 CDXISKHQVCREKR-KSFYIVLOSA-N 434.496 4.059 5 20 IIBD C[C@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@@H](OC1CCOCC1)c1ccccc1 499420259 ICXRONFCLQLRGX-QMHKHESXSA-N 435.480 4.198 5 20 IIBD CO[C@@H]1Cc2ccccc2N(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 500269829 PXIRHJGXONPXGG-VQIMIIECSA-N 432.480 4.381 5 20 IIBD CC(C)(C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1csc(-c2cccs2)n1 505091448 WXJNMMXTBRXQEC-UHFFFAOYSA-N 427.511 4.250 5 20 IIBD Cc1ccc(-c2csc(C[S@](=O)Cc3cc([N+](=O)[O-])cc4c3OCOC4)n2)cc1 505714661 SUBRBMMVGFXXNL-GDLZYMKVSA-N 430.507 4.342 5 20 IIBD COc1ccc(-c2nc(C[S@@](=O)CCC(=O)Nc3ccccc3[N+](=O)[O-])cs2)cc1 507696381 DBZVUZRTOPSYGO-PMERELPUSA-N 445.522 4.004 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(Oc2cccc(F)c2)c(Br)c1 508314323 FFANXEICGDGBHG-UHFFFAOYSA-N 435.209 4.124 5 20 IIBD O=C(CCS(=O)(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(Oc2ccccc2)cc1 509147416 TYOGMDKDHFHFOQ-UHFFFAOYSA-N 426.450 4.190 5 20 IIBD O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1 509292233 ZJNGDSIZDXKTIK-LAQRGFTBSA-N 437.462 4.335 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)cc1OC 509623686 RNUZERGNIAXRQD-UHFFFAOYSA-N 441.484 4.317 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 510300845 WOBSRCSYLPEXAB-UHFFFAOYSA-N 448.361 4.093 5 20 IIBD CC(C)Cc1ccc([C@H](NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C2CC2)cc1 513573634 XWWTYJBCTCRSHL-NRFANRHFSA-N 430.526 4.078 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1 514502467 IVUUXLFCZPSEAK-LBPRGKRZSA-N 433.511 4.075 5 20 IIBD COc1cc(CCNC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)c([N+](=O)[O-])cc1OC 514579199 WDIFJYXCKGXFQN-ZDUSSCGKSA-N 444.513 4.167 5 20 IIBD C[C@H](c1ccc(F)cc1)N1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2Br)C1=O 516880381 RDKUGUUTVNNEPL-BZNIZROVSA-N 437.269 4.056 5 20 IIBD CCOc1cc(C(=O)N[C@H](C)c2ccc(Br)cc2F)c([N+](=O)[O-])cc1OC 517257991 NSJSTZAHPBFQIN-SNVBAGLBSA-N 441.253 4.395 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 518351063 LOULOICOQGQWJL-UHFFFAOYSA-N 436.434 4.031 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC(c2cccc(F)c2)C1 522913223 OKBRTJDWLSGYMJ-UHFFFAOYSA-N 425.382 4.475 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NCC1(c2cccs2)CCCCC1 523548936 XUXWYBHNMGWEKZ-UHFFFAOYSA-N 435.933 4.058 5 20 IIBD Cc1noc(C)c1COc1ccc(CC(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cc1 523550345 HFSSMMGKUWXKQM-UHFFFAOYSA-N 447.451 4.350 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cccc(C[S@](C)=O)c3)cc2[N+](=O)[O-])C1 524546850 TVOBYMUPXMOSAM-FUJBLVTHSA-N 429.542 4.208 5 20 IIBD CCc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)s1 525050465 VFOAFJXEDBYAHQ-LBPRGKRZSA-N 446.558 4.035 5 20 IIBD O=C(c1cccc(I)c1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 525104733 CWUYJHUNRMEYIQ-INIZCTEOSA-N 440.262 4.087 5 20 IIBD COCC[C@H](Cc1cccc(Br)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1F 525477710 FPQDIYSWUQHANV-CYBMUJFWSA-N 425.254 4.330 5 20 IIBD C[C@H](Nc1ccc(C(=O)N(C)[C@@H](CCO)c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 532022162 VPPWZWUNOCMTMM-JTSKRJEESA-N 434.496 4.359 5 20 IIBD O=c1ccc([N+](=O)[O-])cn1CCSc1nc(O)c2c(-c3ccc(F)cc3)csc2n1 534934537 MZYGTEMPQUWWBJ-UHFFFAOYSA-N 444.469 4.065 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1c(Cl)cccc1Cl 536513674 DSIDAFKDWOTDBB-UHFFFAOYSA-N 443.308 4.487 5 20 IIBD NC(=O)CCCCNC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 536805188 GFYKUINOMZLOQK-UHFFFAOYSA-N 441.431 4.150 5 20 IIBD CSc1cccc(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)c1C 539347628 XZWVUNKQABCLJH-UHFFFAOYSA-N 428.251 4.482 5 20 IIBD C[C@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccc([S@](C)=O)cc1 539642360 RTYQRYFKLOUJMX-ZYSBOAIWSA-N 437.521 4.435 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 542713241 SZYCGOUZGKDVCW-CQSZACIVSA-N 426.370 4.149 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCCN(c3nccs3)CC2)cc1OC 542914101 AFOOAUNGVIPXCC-INIZCTEOSA-N 434.562 4.197 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCCC2)cc1[N+](=O)[O-] 542993973 DAVDBRSLRFNZKE-LJQANCHMSA-N 431.876 4.243 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCc2c(ncn2-c2ccccc2)C1 543296125 DQNBYHQSZYMABX-UHFFFAOYSA-N 428.901 4.111 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC(N2CCc3ccccc32)CC1 551675413 AJISBQKNXRZOPT-UHFFFAOYSA-N 444.329 4.333 5 20 IIBD CCOC1(C)CCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1 552233106 NHXLPKQWMNAUFM-UHFFFAOYSA-N 443.466 4.248 5 20 IIBD C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)CCOc1ccccc1[N+](=O)[O-] 552837840 ZQXVWXTWMAFZCU-KUHUBIRLSA-N 438.402 4.371 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCc3nc(-c4ccncc4)no3)c([N+](=O)[O-])c2)cc1 556029399 ZVHOZCZHUATUMU-UHFFFAOYSA-N 430.424 4.213 5 20 IIBD CC[C@@H](c1ccccc1)c1nnc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1CC(C)C 559088121 NVSAIAYTOYINJT-FQEVSTJZSA-N 437.548 4.422 5 20 IIBD CSCc1cc(F)ccc1CNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 560186906 BRJDUSVPJXGNKH-UHFFFAOYSA-N 433.505 4.149 5 20 IIBD C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1cc(F)c(F)cc1Br 560582074 YNUICMGUCAPZJY-JTQLQIEISA-N 428.233 4.142 5 20 IIBD O=C(Nc1cc(F)c(N2CCOCC2)cc1F)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 561462303 BKZUVPQMBMNGBZ-UHFFFAOYSA-N 440.406 4.024 5 20 IIBD O=C(N[C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 562864956 DVYBKFRYTNAQRH-SJORKVTESA-N 445.401 4.260 5 20 IIBD CCn1cnnc1NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 569111230 UHVXZJKHKSGGMT-RVDMUPIBSA-N 434.481 4.385 5 20 IIBD COc1ccc(CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C)C2CC2)c(OC)c1 569556058 WCKRZIDVEPWLCU-HNNXBMFYSA-N 438.484 4.463 5 20 IIBD Cc1ccc(-c2nc(O)n[nH]2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 573482370 CPYDTFUAKHEQLM-UHFFFAOYSA-N 431.408 4.439 5 20 IIBD CC(C)[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCCO2)CCS1 574535875 YDJHANOQZNANES-MOPGFXCFSA-N 431.562 4.000 5 20 IIBD COc1ccc([C@H](C)NC(=O)Cc2noc(-c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)n2)cc1 577582068 ASWUHXDHUFLXAH-AWEZNQCLSA-N 438.484 4.371 5 20 IIBD CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3SC3CCCC3)[C@H]2C1 589101136 SMRQNSRDUCMLBT-RYGJVYDSSA-N 431.558 4.006 5 20 IIBD Cc1cc(Br)cc(C)c1CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] 604502708 KYGFZTDRODJFAJ-UHFFFAOYSA-N 448.317 4.059 5 20 IIBD C[C@H](c1ccncc1)N(C)C(=O)c1ccc(C(=O)N(C)[C@H](C)c2ccncc2)c([N+](=O)[O-])c1 609044949 WRMMIMRWVZKESZ-IAGOWNOFSA-N 447.495 4.051 5 20 IIBD O=C(COc1ccc(Br)cc1F)NCCCCc1ccc([N+](=O)[O-])cc1 610047259 WLNJZCQDKIUWNB-UHFFFAOYSA-N 425.254 4.014 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)ccc1[N+](=O)[O-] 610068815 WQLHCIZTBOOSAA-OXJNMPFZSA-N 448.479 4.040 5 20 IIBD Cc1ccc(NCCCNC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c([N+](=O)[O-])c1 610102133 GLKLKKWUQXWZHB-UHFFFAOYSA-N 434.500 4.080 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC(c4nc5ccccc5[nH]4)C3)cc2[N+](=O)[O-])C1 610766026 VNYJYMHADGQSEI-IYBDPMFKSA-N 433.512 4.193 5 20 IIBD COC(=O)c1ccc(OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1[N+](=O)[O-] 613110747 XFTJPOURAWGRKB-UHFFFAOYSA-N 433.631 4.359 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@H](N4CCCC4)C3)n2CCc2ccccc2)c1 619821653 QNICKFSTTJOFRM-QHCPKHFHSA-N 446.555 4.161 5 20 IIBD C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2Cc3ccccc3-c3ccccc3C2)C1=O 726183583 HCLURCVIKSGCEI-RUZDIDTESA-N 442.475 4.002 5 20 IIBD Cc1sc2nc(CCC(=O)OCc3cc([N+](=O)[O-])ccc3OC(C)C)nc(O)c2c1C 729118565 GFRBZZWXOLALLN-UHFFFAOYSA-N 445.497 4.385 5 20 IIBD Cc1c(C(=O)NCC2(N[C@H](C)c3ccccc3)CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 731833913 KZROJYRIXCHQID-MRXNPFEDSA-N 426.473 4.205 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 732156103 PTQRPDHFGLTTHU-MRXNPFEDSA-N 425.913 4.452 5 20 IIBD COc1cc(F)c([C@H](C)NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1OC 733939966 SMPZARLMZVMVNM-VIFPVBQESA-N 427.226 4.005 5 20 IIBD CC[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 734003100 CDGWRYMWKOFDJM-INIZCTEOSA-N 425.304 4.055 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)NCC2(c3cccc(Br)c3)CC2)cc1[N+](=O)[O-] 734343916 RCGQKHOOFGAJGP-UHFFFAOYSA-N 434.246 4.036 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)c1cccc(-n2cccn2)c1)c1cccc([N+](=O)[O-])c1 735037993 PBBKNHJKBLAKOZ-FQEVSTJZSA-N 448.479 4.022 5 20 IIBD COC(=O)N(C)Cc1ccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 735255708 SPGHMHHAGFSYQY-UHFFFAOYSA-N 426.454 4.169 5 20 IIBD O=C(OCc1ccc(OCc2ccccn2)cc1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 735351674 CMFDGNBQDMAXMD-UHFFFAOYSA-N 431.404 4.180 5 20 IIBD Cc1ccc(N2CCC[C@@H](NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])C2)cc1 742017225 BXLKZBRIURVMNZ-OAHLLOKOSA-N 437.418 4.243 5 20 IIBD CCO[C@H]1C[C@H](Nc2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])C12CCCC2 742425749 FRVNGNXERAOYSO-STQMWFEESA-N 444.282 4.424 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(=O)Nc1ccc(F)c(F)c1 744554246 NSULQBPEMRPJGH-CYBMUJFWSA-N 433.411 4.047 5 20 IIBD Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c(Cl)c1 744615492 UQVGKLBJBIXHJJ-CQSZACIVSA-N 429.860 4.390 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc(Br)cn2C(C)C)cccc1[N+](=O)[O-] 745460121 PURDEBMYGZOCMY-GFCCVEGCSA-N 438.278 4.232 5 20 IIBD O=C(COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Br)cc1 745568108 KBRDWQPSYHJPPA-UHFFFAOYSA-N 432.148 4.416 5 20 IIBD O=C(CCc1nc2cc(Br)ccc2s1)OCC(=O)c1cccc([N+](=O)[O-])c1 745649259 LXYKLPDELIWTRQ-UHFFFAOYSA-N 449.282 4.326 5 20 IIBD CCc1ccc(C(=O)OCc2nc(-c3ccc(OC(F)F)c(OC)c3)no2)cc1[N+](=O)[O-] 747013676 RKIYEVSJYFCHCW-UHFFFAOYSA-N 449.366 4.174 5 20 IIBD COC(=O)c1ccc([C@H](OC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C(F)(F)F)cc1 747211699 CMOACMVYRGGCLS-KRWDZBQOSA-N 449.341 4.028 5 20 IIBD COc1ccccc1C1(CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)CCCC1 748629787 JCYOMEXFYDDRJI-UHFFFAOYSA-N 427.457 4.370 5 20 IIBD O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1cnn(-c2ccccc2)c1C1CC1 749359488 UBMGRBOIAJEORM-UHFFFAOYSA-N 447.495 4.126 5 20 IIBD CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)OC(=O)c1cccc(Cl)c1[N+](=O)[O-] 750536104 VGJWJAGAISXZGT-LLVKDONJSA-N 430.800 4.381 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 750924441 QYSQKTYVJLIJMP-IAQYHMDHSA-N 442.741 4.100 5 20 IIBD O=C1C[C@H](C(=O)N(Cc2ccsc2)c2ccccc2)CN1c1ccc(F)c([N+](=O)[O-])c1 751179415 DFFZNALTNMGDNU-INIZCTEOSA-N 439.468 4.382 5 20 IIBD COc1ccc(CNC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1Br 751257086 ZAWLQSIUYMCJMK-UHFFFAOYSA-N 444.079 4.058 5 20 IIBD Cc1cc(N2C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 751947633 RGFUKXMKUVDSKV-HZPDHXFCSA-N 427.505 4.100 5 20 IIBD CC1([C@H]2CCCN(C(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)C2)OCCO1 752634499 PPHLNGDRCXTBKN-INIZCTEOSA-N 427.457 4.394 5 20 IIBD CC(C)(NC(=O)Nc1ccc(-n2nccn2)cc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 752644902 QWMUHYUNDNLNFP-UHFFFAOYSA-N 434.378 4.251 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N(Cc1ccccc1)C[C@@H](O)c1ccco1 752768135 MYZSHLYBKSQYSQ-GOSISDBHSA-N 445.269 4.326 5 20 IIBD COc1cc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)ccc1OC(F)F 754977619 QEHMYXHGXQJWQA-UHFFFAOYSA-N 449.179 4.036 5 20 IIBD O=C(Cc1nc(COC(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cs1)Nc1ccccc1 754983952 BPIMHDVZQRYVFW-UHFFFAOYSA-N 449.847 4.382 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)OCC(=O)N1c2ccccc2CCc2ccccc21 755676087 WCRVOCHKMHIBFN-UHFFFAOYSA-N 432.432 4.224 5 20 IIBD Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)Cc1ccc([N+](=O)[O-])cc1Br 756526314 IGUQPLLZCTXONG-CYBMUJFWSA-N 435.274 4.087 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H](c1ccccc1)N1CCCCC1=O 760514103 DYHSSNJTFLCAQW-NRFANRHFSA-N 435.436 4.047 5 20 IIBD O=C(NC[C@@H](O)c1cccc(OCc2ccccc2)c1)c1cc2cc([N+](=O)[O-])ccc2o1 761609066 UEAVABNHALJHJS-OAQYLSRUSA-N 432.432 4.383 5 20 IIBD COc1ccc2c(c1)[C@@H](C(=O)OCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])CC2 763453139 FPDRQGFKALZBLD-HNNXBMFYSA-N 437.395 4.029 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Oc1cccc(Oc2ncccn2)c1 764216446 GQOUGQGUUIZSQK-UHFFFAOYSA-N 427.438 4.135 5 20 IIBD O=C(Nc1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccc([N+](=O)[O-])c(Cl)c1 764234741 HXXHIEKIVRFYSV-UHFFFAOYSA-N 430.869 4.474 5 20 IIBD C[C@@H]1CCN(C(=O)COC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c2ccccc2S1 766229958 LYTZLFHUMNFUHB-CQSZACIVSA-N 437.477 4.217 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(CC[C@H](O)c2ccccc2)cc1 766320557 HFNKSYKRTFUZSY-FQEVSTJZSA-N 442.493 4.076 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 767194656 LIXDKINOPLAPKI-INIZCTEOSA-N 430.386 4.429 5 20 IIBD CC(=O)[C@@H](Cc1ccc(Cl)cc1F)OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 768650709 WZCJVYNFNZCXBR-QGZVFWFLSA-N 438.795 4.269 5 20 IIBD CN(C)C(=O)CN(Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)CC(F)(F)F 768761614 FSWITRLSNNZZPK-UHFFFAOYSA-N 445.825 4.493 5 20 IIBD COc1ccc(OCC(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1C 769077697 MBZNFKPXNDCCGZ-UHFFFAOYSA-N 436.420 4.149 5 20 IIBD CN(C)c1ccc(N2CCC(NC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)CC2)cc1 769128196 QEMANTAVUGSOKW-UHFFFAOYSA-N 437.544 4.004 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 769216572 KLQQRIPGSAKAHQ-NEPJUHHUSA-N 444.435 4.106 5 20 IIBD Cc1cnn(Cc2ccccc2F)c1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 769493689 DWWYVKQHONQKLH-UHFFFAOYSA-N 433.237 4.302 5 20 IIBD O=C(COC(=O)c1cc(C(F)(F)F)ccc1Br)c1ccc([N+](=O)[O-])cc1 770173089 YGIDHLGVEXNSAI-UHFFFAOYSA-N 432.148 4.416 5 20 IIBD C[C@H]1Sc2ccc(C(=O)OCc3ccc(Br)c([N+](=O)[O-])c3)cc2NC1=O 773346981 QOWFZIBWJMAQAR-SECBINFHSA-N 437.271 4.147 5 20 IIBD O=C(OCc1ccc(OCC(F)(F)F)nc1)c1sc(Br)cc1[N+](=O)[O-] 774215847 ZRQLCZPTQMMSTO-UHFFFAOYSA-N 441.181 4.112 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCc2ncc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2C1 777007528 NRPBXLOYDRBJEP-ZDUSSCGKSA-N 446.891 4.278 5 20 IIBD CCCN(C(=O)c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C)C(C)C 777939350 FGRQACPUEQYQSX-UHFFFAOYSA-N 437.493 4.104 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 778031943 GIULJDWXEIBFKH-UHFFFAOYSA-N 447.753 4.070 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 778714345 DTULCBOMMJFKHO-ZFWWWQNUSA-N 446.529 4.094 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)c1ccccc1OCc1cscn1 778810167 LHSUWIBUOHVPAW-MRXNPFEDSA-N 443.456 4.205 5 20 IIBD COC(=O)N(C)c1ccc(NCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])cc1 779032898 GOVWWUAZHNQMAZ-UHFFFAOYSA-N 425.388 4.062 5 20 IIBD COc1cc(CNCc2cc([N+](=O)[O-])ccc2Cl)c([N+](=O)[O-])cc1OCC(F)F 779092337 YJLBPHOHOLEIJI-UHFFFAOYSA-N 431.779 4.099 5 20 IIBD CC[C@@H]1C[C@H](OC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 779289384 DUFMYJDOBGCJND-FGZHOGPDSA-N 435.480 4.491 5 20 IIBD COc1cc(-c2noc(COC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)n2)ccc1C 781259199 KTCSBMYSNZTMFM-UHFFFAOYSA-N 441.443 4.405 5 20 IIBD CC(C)(CC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F 781748828 DCMJNTYTVWNWAR-UHFFFAOYSA-N 436.823 4.168 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)c1nc(-c2cccc(F)c2)no1 782171609 ATAJOBVAOMPDAV-VIFPVBQESA-N 435.209 4.037 5 20 IIBD Cc1c(C(=O)O[C@@H](C)c2ccccc2[N+](=O)[O-])nnn1Cc1ccc(C(F)(F)F)cc1 786356431 SVPIDYXXHUYFPX-ZDUSSCGKSA-N 434.374 4.480 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)OC(C)(C)C)C1 789446863 VJKAKZBIIAVPDG-GVDBMIGSSA-N 432.521 4.369 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCO[C@@H](C)C2)cc1 790532860 FKSXQTLWPGNEJR-LBPRGKRZSA-N 434.290 4.143 5 20 IIBD COc1ccc(OC(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1[N+](=O)[O-] 792113620 MTZMYROZAPCVLX-AUUYWEPGSA-N 430.457 4.411 5 20 IIBD Cc1cccc(NC2CCN(C(=O)C(=O)Nc3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC2)c1 793006016 SCOSYIFMURSNRG-UHFFFAOYSA-N 438.528 4.242 5 20 IIBD Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)cccc1-c1ncco1 793448064 RBTRJOAEKVTRSX-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@@H]21 795098842 HNDHGZQAOUKUQS-APWZRJJASA-N 428.489 4.081 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1OC1CCOCC1 795375829 XGMGNDRLZUUGMA-UHFFFAOYSA-N 444.868 4.054 5 20 IIBD COc1c(C(=O)O[C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)cccc1[N+](=O)[O-] 796311057 ZYFOHQZFEOKVTM-INIZCTEOSA-N 434.448 4.378 5 20 IIBD Cn1nc(C(F)F)c2cc(C(=O)O[C@@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)sc21 796765657 MFDRLYQSEHTXOS-WDEREUQCSA-N 425.417 4.018 5 20 IIBD Cc1ncc(-c2ccc(NC(=O)c3nn(-c4cc(Cl)ccc4[N+](=O)[O-])cc3O)cc2)o1 798158409 IRCQBRSEXDBBNC-UHFFFAOYSA-N 439.815 4.355 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 799358979 PDSIFKPWWGTHOJ-HOTGVXAUSA-N 445.520 4.333 5 20 IIBD Cc1cc(N2C(=O)c3ccccc3C2=O)ccc1C(=O)Nc1c(F)ccc([N+](=O)[O-])c1C 800150817 AVDBEDJFXMYFAX-UHFFFAOYSA-N 433.395 4.404 5 20 IIBD CCOC(=O)c1cc(C(=O)OCc2nc3cc(Br)ccc3o2)cc([N+](=O)[O-])c1 803253688 IUJBUOORFOHHNX-UHFFFAOYSA-N 449.213 4.032 5 20 IIBD CN(c1ccc(Oc2c([N+](=O)[O-])cccc2[N+](=O)[O-])cc1)S(=O)(=O)c1ccc(F)cc1 804323422 SADLJOATVBQBEK-UHFFFAOYSA-N 447.400 4.260 5 20 IIBD CN(CC(=O)Nc1ncccc1-c1ccccc1)c1cc(Br)ccc1[N+](=O)[O-] 808675829 UMRNHYWMTFHZNS-UHFFFAOYSA-N 441.285 4.494 5 20 IIBD CN(C)CCOc1ccccc1-c1noc(-c2cc([N+](=O)[O-])ccc2N2CCCCC2)n1 809404624 QRAUWPQELRQOPE-UHFFFAOYSA-N 437.500 4.243 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H](NC(=O)OCc3ccccc3)C(C)C)n2)c1 809476374 NBYAFVFDIRZSCL-FQEVSTJZSA-N 440.456 4.201 5 20 IIBD CCc1nc(C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)nn1-c1ccccc1 811214511 BPHKYFUKOMMVDG-UHFFFAOYSA-N 435.465 4.218 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811216014 CQXSOTJBAITHQR-OLZOCXBDSA-N 435.502 4.311 5 20 IIBD COc1cc(CC(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc(OC)c1OC 811218818 LQSSHTAORJDZIX-UHFFFAOYSA-N 444.465 4.030 5 20 IIBD CCc1nc2ccc(Cl)cn2c1C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 812648360 DOUDXHVVWPNMDL-UHFFFAOYSA-N 426.816 4.470 5 20 IIBD O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCC[C@H](c2nnc3n2CCCCC3)C1 813401464 AWKYIZXUSWEDOE-LBPRGKRZSA-N 438.315 4.239 5 20 IIBD O=C(NC[C@H]1CCCCC(F)(F)C1)c1cc([N+](=O)[O-])ccc1I 816789316 LSTXYXRGFLHSJB-JTQLQIEISA-N 438.212 4.145 5 20 IIBD CC(F)(F)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2I)cc1 817463897 ZTAKKGMOVBQYLH-UHFFFAOYSA-N 446.191 4.241 5 20 IIBD CN(C)c1cc(F)c(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)cc1[N+](=O)[O-] 817821656 XNTFBQDYJJZRJU-UHFFFAOYSA-N 448.252 4.000 5 20 IIBD CCN(CC)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 898131927 VSPXRJUHCMXZHU-UHFFFAOYSA-N 426.517 4.168 5 20 IIBD CN(Cc1nc(-c2ccc(F)c(F)c2)no1)c1cc(Br)ccc1[N+](=O)[O-] 904366345 DKNLQBPFECGAEX-UHFFFAOYSA-N 425.189 4.322 5 20 IIBD CCCn1c(SCC(=O)NC(=O)c2cccc([N+](=O)[O-])c2)nc2cc(Cl)ccc21 913593359 GMWKLXBMDHKKBW-UHFFFAOYSA-N 432.889 4.057 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N(C)[C@H](C)c2ccco2)cc1 914495868 JFVGWSDNGGLTCV-OAHLLOKOSA-N 444.465 4.097 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)CCc2ccc(O)cc2)c2ccccc2)c([N+](=O)[O-])c1 919527102 WMGOUZNGXPLTQP-HSZRJFAPSA-N 434.448 4.465 5 20 IIBD O=C(COC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)Nc1ccccc1[N+](=O)[O-] 921282583 IVCKAPDBJVNEPB-UHFFFAOYSA-N 431.857 4.096 5 20 IIBD O=C(c1cccc(OCc2cccs2)c1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1251283915 SMHOSNZLWVERPW-UHFFFAOYSA-N 437.521 4.193 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(-c3cccc(NS(=O)(=O)c4cccs4)c3)o2)c1 1257652495 PWFRGWAUKNUXIQ-UHFFFAOYSA-N 428.451 4.174 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCCOc2ccc3c(c2)CCC3)cc1[N+](=O)[O-])c1ccccn1 1321931719 ICLBZVSGOLHDHW-QGZVFWFLSA-N 446.507 4.460 5 20 IIBD Cc1nc(-c2ccccc2)sc1-c1nnc(CCNC(=O)c2ccc([N+](=O)[O-])cc2)o1 1322522481 SXIIKAXXDRDHIL-UHFFFAOYSA-N 435.465 4.049 5 20 IIBD O=C1Nc2ccccc2[C@@H]1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 1324952789 GQTNDYSLOHTSAN-SFHVURJKSA-N 433.386 4.202 5 20 IIBD O=C(CCCc1cccnc1)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1 1791950629 DGPJEUSDPWALAZ-UHFFFAOYSA-N 447.495 4.089 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccsc2)[nH]n1)c1cccc(F)c1[N+](=O)[O-] 1821168644 BCWWGWBVQJWENN-MRXNPFEDSA-N 443.460 4.138 5 20 IIBD C/C=C/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(F)ccc([N+](=O)[O-])c2C)[nH]n1 1821915595 SCMDHLQYRQZYPH-ANMJBBSSSA-N 441.463 4.204 5 20 IIBD Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)C(C)(C)C)CC2)cc1[N+](=O)[O-] 1826404864 OXGTVPPGAKXUOJ-FQEVSTJZSA-N 429.561 4.112 5 20 IIBD CC(C)(C)CC(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cc(F)ccc2[N+](=O)[O-])CC1 1832887340 LFEWRUNPKFRREC-HXUWFJFHSA-N 447.551 4.332 5 20 IIBD CC[C@@H](C)[C@@H](C(=O)N1CCCC12CN(C(=O)Cc1cccc([N+](=O)[O-])c1)C2)c1ccccc1 1842670899 DHJCFMUINMZVLJ-NTKDMRAZSA-N 449.551 4.171 5 20 IIBD Cc1ccc(C(=O)N2CCCC23CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)C3)cc1C 1844923981 WBSHKSACTMQLTJ-UHFFFAOYSA-N 441.915 4.304 5 20 IIBD O=C(COc1ccc(C2SCCCS2)cc1)NCCNc1ccc([N+](=O)[O-])cc1 9890710 JIPYUNXHJWEURB-UHFFFAOYSA-N 433.555 4.071 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)c([N+](=O)[O-])c1 10646858 JXBGFYBRCDPQQR-FQEVSTJZSA-N 435.392 4.348 5 20 IIBD CCC[C@@H](NC(=O)COC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 11278418 DVRLJKLKDPMUAR-JOCHJYFZSA-N 442.515 4.356 5 20 IIBD CC(=O)Nc1ccc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1Cl 14124742 ZXBXNLSRUFPNKD-UHFFFAOYSA-N 441.875 4.321 5 20 IIBD COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1[N+](=O)[O-] 15801597 IZDUWCMFSNNOPZ-VIFPVBQESA-N 446.765 4.460 5 20 IIBD Cc1nc(COc2cccc(C(=O)OCC(=O)Nc3c(C)cccc3[N+](=O)[O-])c2)cs1 17737222 UEMJXZSAZNSMAW-UHFFFAOYSA-N 441.465 4.043 5 20 IIBD Cc1nc(-c2ccccc2)sc1C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 17828312 SFOWUPOLUJFQKR-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD COc1ccc(CCNc2nnc(Sc3ccc(F)cc3[N+](=O)[O-])s2)cc1OC 22803091 WNSMFFOBRKNCOV-UHFFFAOYSA-N 436.490 4.408 5 20 IIBD CCOc1cc(C(=O)N(C)Cc2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])cc1OC 30313637 QLEKFNWJVHUNDU-UHFFFAOYSA-N 428.363 4.173 5 20 IIBD COc1ccc(S(=O)(=O)N2CCC(c3cccc4ccccc34)CC2)cc1[N+](=O)[O-] 58501828 KLQGJMBIKAJAJI-UHFFFAOYSA-N 426.494 4.325 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCCC(=O)Nc1ccc(Cl)cc1 64421245 HOEWJDLRNMRURC-GFCCVEGCSA-N 440.283 4.204 5 20 IIBD Cc1csc(N(C(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)c2ccccc2)n1 71838684 GXRVMGYRMQLNBL-CQSZACIVSA-N 440.456 4.217 5 20 IIBD C[C@@H]1CN(c2ccc(CNc3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])cn2)CCO1 71954968 YAGUWOLVJKGINY-QGZVFWFLSA-N 432.480 4.058 5 20 IIBD O=C(NCc1cccc(COCc2ccccc2)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 109274514 ADBGJWSXDOKHLC-UHFFFAOYSA-N 442.475 4.427 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NC[C@@H](O)c1ccccc1Cl 301342210 IKKNAYRTSDSKPO-HXUWFJFHSA-N 447.900 4.195 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 303359652 HIYSPUFXTBNNMF-HTAPYJJXSA-N 449.532 4.442 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(-c3ccoc3)nn2-c2ccccc2)c(Cl)c1 409619573 UASPLYZBSQWVRK-UHFFFAOYSA-N 444.856 4.495 5 20 IIBD O=[N+]([O-])c1cc(F)cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Br)c1 410403956 YDMOBBMNQKCTCO-UHFFFAOYSA-N 443.172 4.316 5 20 IIBD O=C(N[C@H]1CCn2ccnc2C1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 428350819 WHIKONAGFUXDCN-HNNXBMFYSA-N 428.901 4.341 5 20 IIBD CC(C)Cn1ccc2cc(NC(=O)c3ccc(N4C(=O)CCC4=O)c([N+](=O)[O-])c3)ccc21 431765786 NXYIWPHSNMSZNF-UHFFFAOYSA-N 434.452 4.111 5 20 IIBD CC(=O)N(c1nc(Cn2cc(Cl)cc([N+](=O)[O-])c2=O)cs1)c1ccc(C)cc1C 432220194 WRLVCXYHRIYBHQ-UHFFFAOYSA-N 432.889 4.216 5 20 IIBD CCCN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 436115337 OFBAPEPYPYIDHJ-SFHVURJKSA-N 428.488 4.374 5 20 IIBD O=c1c2cnn(-c3ccccc3[N+](=O)[O-])c2ncn1Cc1nc(C2CCCCC2)cs1 436201250 AHCWDWMTVOFRLQ-UHFFFAOYSA-N 436.497 4.043 5 20 IIBD O=C(Nc1ccc2nc(C3CC3)sc2c1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437032548 LKFTWSMIHXDITQ-UHFFFAOYSA-N 436.493 4.212 5 20 IIBD COc1ccc(CN(Cc2ccccc2)C(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1 437426787 AILQYGJLEZRWBG-UHFFFAOYSA-N 447.491 4.388 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H]2CC[C@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] 438681431 PBVBIIMGDGOOIA-KJXAQDMKSA-N 435.524 4.035 5 20 IIBD Cc1ccc2nc(NS(=O)(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)sc2c1 438783477 DCDIWZTTWBELDU-UHFFFAOYSA-N 442.316 4.385 5 20 IIBD O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc(Cl)cc1-c1nc(C2CCCC2)no1 439694585 OOHQZYSDFHIABW-UHFFFAOYSA-N 430.852 4.181 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)[C@H]1CCn2ccnc2C1 439962678 QAWYUSMZIXFCKT-AWEZNQCLSA-N 444.850 4.255 5 20 IIBD CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H]2CCCC[C@H]21 439989024 PPHPCWYCSPSMHK-JLVQQBGISA-N 444.576 4.026 5 20 IIBD CC(C)n1cnnc1[C@@H]1CCCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 444015001 ZIESQCFIKXUANN-OAHLLOKOSA-N 433.487 4.013 5 20 IIBD CCO[C@H]1C[C@H](N(C)C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C12CCC2 444240451 RFNPWWRPSODUAP-PMACEKPBSA-N 426.463 4.379 5 20 IIBD CN(Cc1nc[nH]n1)C(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 444440014 JRSFIEOWCNMODC-UHFFFAOYSA-N 437.403 4.155 5 20 IIBD O=C(NCc1cccc(COc2ccccc2)c1)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 445263006 JOAZNRXCFOINFD-UHFFFAOYSA-N 431.452 4.050 5 20 IIBD Cc1cc(C)n(-c2ccccc2NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)n1 445526706 BOTKPFMLQAROHL-UHFFFAOYSA-N 429.274 4.341 5 20 IIBD COc1cc(OC)c(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1F 446202066 PFJPCJLPUPFIIA-OKILXGFUSA-N 431.464 4.486 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2Cc2ccc(F)cc2)c(C(F)(F)F)c1 447016506 KFSRWIVIYOQXLN-AWEZNQCLSA-N 432.395 4.149 5 20 IIBD O=C1CCCN1Cc1cccc(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])c1 447676712 RIZOGCMVRSHIRZ-UHFFFAOYSA-N 444.360 4.378 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 461425436 JAPZPXHOSOLGLY-RBUKOAKNSA-N 425.554 4.301 5 20 IIBD CS(=O)(=O)c1ccc(Sc2ccccc2C(=O)NCc2ccccc2[N+](=O)[O-])cc1 463132883 QXNCTVXUGCEPRJ-UHFFFAOYSA-N 442.518 4.080 5 20 IIBD CN1CCC(N(C[C@@H]2C[C@H]3C=C[C@H]2C3)C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 464694508 WWBNBBVGIKIPRY-JYJNAYRXSA-N 448.361 4.106 5 20 IIBD COc1ccc(C2CCN(C(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)CC2)cc1 465392124 MXRMLLPMYXJNMB-UHFFFAOYSA-N 448.523 4.485 5 20 IIBD Cc1nnc(Sc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)s3)c(C)c2)s1 466963657 GFMGYDBMQRWIRI-UHFFFAOYSA-N 442.569 4.385 5 20 IIBD CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 469493844 LDCBHEBHKMRVMJ-RBUKOAKNSA-N 435.480 4.047 5 20 IIBD NC(=O)c1ccc(CSCc2cc(Br)cc3cccnc23)c([N+](=O)[O-])c1 470512744 MDFODEWBRLTQGQ-UHFFFAOYSA-N 432.299 4.438 5 20 IIBD CN(C)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1cccc(C(F)(F)F)c1 470599849 KVHPGJNLTLNXKM-KRWDZBQOSA-N 429.826 4.229 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCSC[C@H]3c3nccs3)cc2[N+](=O)[O-])CC1 472087485 SEYOYOCHRAXEBH-SFHVURJKSA-N 432.571 4.218 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)NC[C@H]1CC[C@@H](O)C1 473813230 RSJHWWRBKJEEBS-SWLSCSKDSA-N 437.855 4.140 5 20 IIBD CSc1cccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)c1[N+](=O)[O-] 475780277 KNSKUCTXPZFWOD-CYBMUJFWSA-N 440.308 4.159 5 20 IIBD Cc1nc2ccc(Br)cn2c1C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 476117646 ADAXGRSTBJRDKI-GOSISDBHSA-N 447.314 4.201 5 20 IIBD CCCNC(=O)c1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)c1 480493552 HSJGZVWSTKYOSI-UHFFFAOYSA-N 429.542 4.413 5 20 IIBD Cc1nc(-c2ccc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)s2)cs1 480678531 HTXMGIULFYNXLM-UHFFFAOYSA-N 447.466 4.490 5 20 IIBD O=C(Nc1ccc(F)cn1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 481294218 RLJFCQJJBZMQIH-UHFFFAOYSA-N 441.488 4.207 5 20 IIBD CSc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)cc1[N+](=O)[O-] 481872682 USSHXUKUKWKHFI-VQTJNVASSA-N 425.554 4.443 5 20 IIBD Cc1cc(Br)c(O)c(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 482654039 BWUVXNCWWHRMCL-UHFFFAOYSA-N 430.052 4.386 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3C[C@@H](C)O[C@@]4(CCCOC4)C3)cc2[N+](=O)[O-])cc1 482967487 YJHFGXRMQOHBHD-HXOBKFHXSA-N 442.537 4.465 5 20 IIBD C[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(NC(=O)NC2CC2)cc1 488241602 LNNQDUSECYJORR-CYBMUJFWSA-N 445.907 4.135 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 490423468 UBJVPXLVPAWZFJ-SUMWQHHRSA-N 444.431 4.073 5 20 IIBD Cc1ccc(S(=O)(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)O[C@H](C)C2)cc1[N+](=O)[O-] 490434191 GFOMWDCKWNBPDV-FZKQIMNGSA-N 444.431 4.073 5 20 IIBD CS(=O)(=O)c1cccc([C@H](NCCc2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)c1 491018161 HDYUQKWYADJQLY-JOCHJYFZSA-N 428.485 4.059 5 20 IIBD CC(C)CCSc1ccc(C(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1[N+](=O)[O-] 491881994 SFFWQNYEWXSTRC-CTNGQTDRSA-N 449.617 4.231 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(OCc2ccccc2F)cc1 493572858 MEILLELCSGNSPB-UHFFFAOYSA-N 437.427 4.072 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)cc1[N+](=O)[O-] 494069678 QZPKCUOCKPWXOJ-QGZVFWFLSA-N 449.511 4.087 5 20 IIBD CC(C)n1c(Sc2ccc([N+](=O)[O-])cc2Br)nnc1[C@H]1CCCNC1 497129892 NQPKEQZKNGTFQZ-NSHDSACASA-N 426.340 4.148 5 20 IIBD COc1ccc(-n2ccnc2SCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 497576900 VJESNLJSDIOAMC-UHFFFAOYSA-N 438.509 4.072 5 20 IIBD O=C(c1cc(F)ccc1F)C1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 497914306 XIFZMMZXNVLONT-UHFFFAOYSA-N 425.391 4.156 5 20 IIBD CC(C)(C)C(=O)NCc1ccc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 498149456 KYNDXMBWIARXTK-FQEVSTJZSA-N 427.526 4.145 5 20 IIBD Cc1ccc(C[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 499240107 TZBHNZNVKIOSGR-GMAHTHKFSA-N 435.524 4.050 5 20 IIBD CCc1ccc(C(=O)N2CCOC[C@@H]2c2c(C)nn(Cc3ccccc3)c2C)cc1[N+](=O)[O-] 501198769 UKLJLRCNJWVDET-HSZRJFAPSA-N 448.523 4.233 5 20 IIBD COc1ccccc1-c1nc(C[S@](=O)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cs1 501305151 DUSZNLBMONUTEN-SSEXGKCCSA-N 446.506 4.042 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)NCCCc3nnc4ccccn34)cc2[N+](=O)[O-])cc1 503678691 GSPINZZIAONLFT-UHFFFAOYSA-N 447.520 4.460 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 506710672 IJXYICMODWTEJO-UHFFFAOYSA-N 445.541 4.417 5 20 IIBD C[C@H]1CCCCN1Cc1ccc(CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 507050568 BVPHRNYLWHWICR-SFHVURJKSA-N 447.539 4.300 5 20 IIBD CSc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)cc1 509118392 UMUPUJMJSYBLPJ-UHFFFAOYSA-N 428.251 4.482 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCOCC2)cc1C(F)(F)F 509265593 WHAPCDCQRCCUFZ-UHFFFAOYSA-N 441.431 4.181 5 20 IIBD CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 509432273 LYQQKTSNWHERSF-QRWLVFNGSA-N 431.514 4.094 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)ccc2C)c([N+](=O)[O-])c1 509559754 UNAYLNJAOYUPDI-HZPDHXFCSA-N 445.541 4.131 5 20 IIBD C[C@H]1CN(C2CCN(Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)CC2)CCO1 510558348 JIBKBTABZHETHW-KRWDZBQOSA-N 429.492 4.211 5 20 IIBD C[C@H](NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCCN(C2CCC2)C1 511269624 ZQOYJWMDOCZGCH-KBPBESRZSA-N 445.507 4.475 5 20 IIBD COc1cc(C(=O)N(C)c2c(F)cccc2F)c([N+](=O)[O-])cc1OCc1cscn1 511417514 XBQJFONPUBMRCT-UHFFFAOYSA-N 435.408 4.194 5 20 IIBD CCOc1ccc(C(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] 512533419 DMEGBKPNFUXMNY-HZPDHXFCSA-N 425.485 4.364 5 20 IIBD Cc1nc(-c2ccc(NC(=O)c3ccc(N4C[C@H](C)C[C@@H](C)C4)c([N+](=O)[O-])c3)cc2)n[nH]1 512596180 AYVBSYJZOUSCJP-HUUCEWRRSA-N 434.500 4.423 5 20 IIBD CNS(=O)(=O)c1cc(NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)ccc1C 512600126 PKDOAKKDUXPCPV-UHFFFAOYSA-N 445.472 4.355 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC[C@H]1CCN(c2ccccc2)C1 512949814 ZWGOCAGXGPMOHB-OAHLLOKOSA-N 436.434 4.058 5 20 IIBD CCOc1ccc(NC(=O)CN[C@H](c2c[nH]c3ccccc23)C(F)(F)F)c([N+](=O)[O-])c1 513143422 CZBRLZDPEWISIF-LJQANCHMSA-N 436.390 4.307 5 20 IIBD CCOC(=O)c1c(NC(=O)CCOc2ccccc2[N+](=O)[O-])sc2c1CCSC2 515638838 VVVBMRLBQRBHFW-UHFFFAOYSA-N 436.511 4.030 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc1OC 515697692 OYUCFMLVEWFPGL-UHFFFAOYSA-N 441.484 4.271 5 20 IIBD CCc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)cn2)c1 516047350 AEOGAOJHADJPOW-OAHLLOKOSA-N 434.452 4.160 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)n1 517192193 RDYAOJLVVWYBCR-UHFFFAOYSA-N 446.463 4.042 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)c1 517875042 XICJUDMNDGYTLT-UHFFFAOYSA-N 442.475 4.445 5 20 IIBD CCCc1c(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cnn1-c1cccc(C)c1 518304545 VXESHIVGPCKXDU-UHFFFAOYSA-N 441.875 4.272 5 20 IIBD O=C(NCCC(=O)N1CC=C(c2cccc3ccccc23)CC1)c1ccc([N+](=O)[O-])cc1 520094739 JBFSAJPXWWUYBL-UHFFFAOYSA-N 429.476 4.184 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2scnc2-c2ccccc2)cc1[N+](=O)[O-] 522197473 LHPFUBXOLOAMTF-UHFFFAOYSA-N 438.494 4.250 5 20 IIBD CCCN(CC(=O)Nc1ccccc1C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 522584349 HIHVJONUDAOQRW-UHFFFAOYSA-N 433.892 4.203 5 20 IIBD O=C(COc1ccc(F)cc1F)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 522816177 UTGMUTQTUPADSP-UHFFFAOYSA-N 440.362 4.336 5 20 IIBD CCOc1cc(NC(=O)N2CCO[C@@H](c3ccccc3F)C2)c([N+](=O)[O-])cc1OCC 524306412 ZOYKXTCVHKUETR-HXUWFJFHSA-N 433.436 4.137 5 20 IIBD Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 524611559 ZPDNTSHSEWUIJR-UHFFFAOYSA-N 446.385 4.134 5 20 IIBD CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCc1ccc(C(=O)N2CCCCC2)cc1 524846822 JIEYWBQLXPGSHD-UHFFFAOYSA-N 429.448 4.149 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2ccccc2)cc1C 527287023 UMWRUTZAKHBGAO-UHFFFAOYSA-N 426.450 4.158 5 20 IIBD O=C(CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1cc(Cl)c(Cl)cc1Cl 533515158 VOVOWINKBWQDFH-SNVBAGLBSA-N 444.706 4.075 5 20 IIBD CC(C)(C)OC(=O)C1CCC(NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 535792998 UGRDUDRBOADFRJ-UHFFFAOYSA-N 429.420 4.218 5 20 IIBD C[C@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1cccc(C(=O)c2ccccc2)c1 536394485 IWYFIOISYLIJNC-UWJYYQICSA-N 444.491 4.037 5 20 IIBD CS(=O)(=O)c1ccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1C(F)F 537230787 UDTLGKBRQIGGKI-UHFFFAOYSA-N 439.440 4.132 5 20 IIBD Cc1nn(C)c2c1N(C(=O)c1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)CCO2 537314034 IFJUBWRSVCFXLQ-UHFFFAOYSA-N 428.832 4.122 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN(C(=O)c2cc4c(cc2[N+](=O)[O-])OCCO4)C3)cs1 537915035 VTIDHRMEYGMOIF-UHFFFAOYSA-N 443.506 4.058 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c1 543676136 QNJJBIOMGDCUQN-CQSZACIVSA-N 433.461 4.060 5 20 IIBD Cc1cc(-c2noc(CCc3nc(Cc4c[nH]c5ccc([N+](=O)[O-])cc45)no3)n2)ccc1F 546561993 VBIOIXGNUYTCSO-UHFFFAOYSA-N 448.414 4.333 5 20 IIBD COCCOc1cccc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)c1 547152133 FXPDGFNZXCLKGT-UHFFFAOYSA-N 434.246 4.023 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](NC(=O)c3ccc4ccccc4c3)C2)c1 549293947 FXSVOUIRSUXUNL-HXUWFJFHSA-N 447.491 4.181 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)c1ccc(C(F)(F)F)cc1 550699030 GBQCCOCBGAGWFU-HNNXBMFYSA-N 447.207 4.148 5 20 IIBD CCCN(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1ccc(Cl)cc1 553241753 QXEZYGQNTICLQU-SFHVURJKSA-N 425.938 4.147 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)CCCC(=O)c1ccc(Br)cc1 554823297 GNZJVPIDGRVDBR-UHFFFAOYSA-N 433.302 4.411 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)c1 554870544 DAIHXQJRGOTDSX-UHFFFAOYSA-N 425.485 4.442 5 20 IIBD CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)n1 556433091 WAPXKQHWLBNFGQ-NSHDSACASA-N 430.383 4.002 5 20 IIBD O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 557078093 AMMMAKVLNFKZRD-HNNXBMFYSA-N 445.401 4.214 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CC[C@H](C(F)(F)F)[C@@H](CO)C1 557548152 VQPRDCMNVOXKGL-DYVFJYSZSA-N 440.443 4.379 5 20 IIBD CCOc1cc(C(=O)N2CCC[C@@H](Cc3ccc(OC)cc3)C2)c([N+](=O)[O-])cc1OC 558594869 FDHIRYCRONQBET-KRWDZBQOSA-N 428.485 4.106 5 20 IIBD CCOc1ccc(O[C@H](C)c2nnc(N(Cc3ccccc3[N+](=O)[O-])C3CC3)n2C)cc1 565980483 XTAIVAUOGVUEPG-MRXNPFEDSA-N 437.500 4.431 5 20 IIBD CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)[C@H]2C1 576831152 OSPZCWIETGMBSH-NDXORKPFSA-N 439.537 4.123 5 20 IIBD CCCc1c(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2CC)cnn1-c1cccc(C)c1 579892593 WGSUQZYVILZUPG-UHFFFAOYSA-N 435.484 4.181 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCCc1c[nH]c2ccc(Br)cc12 582893380 VYOFNLDYSBTNFY-UHFFFAOYSA-N 445.317 4.265 5 20 IIBD COc1ccc(Cn2nccc2NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1 585698297 KOCFDKVEMXYHAF-UHFFFAOYSA-N 445.273 4.171 5 20 IIBD C[C@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(F)c2ccccc12 588798870 SLKSZMKDSZSHDS-AWEZNQCLSA-N 437.427 4.453 5 20 IIBD Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1c1ccccc1Br 589236987 HZOWLLDNCMALJM-KRWDZBQOSA-N 428.290 4.494 5 20 IIBD CCCOc1ccc([C@@H](C)NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1OC 603772726 IILDJURYDWXGTG-QGZVFWFLSA-N 441.528 4.486 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(N[C@H](C)c2cccc(OC(F)F)c2)c([N+](=O)[O-])c1 603858767 XSZYQVYGEUEKFL-CYBMUJFWSA-N 443.472 4.400 5 20 IIBD Cc1c(NC(=O)[C@H](C)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] 604276326 KBIPBPSNAYKGQH-QJPTWQEYSA-N 427.345 4.293 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 608927962 URRBEVAFNXRWBJ-UHFFFAOYSA-N 439.465 4.284 5 20 IIBD Cc1ccc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cc1I 609077045 UYHOYYODWIPAAZ-UHFFFAOYSA-N 448.220 4.150 5 20 IIBD CCOc1cc(C(=O)Nc2nnc(Cc3ccc(C)cc3)s2)c([N+](=O)[O-])cc1OC 609379481 LLTVXQLOKTVFOZ-UHFFFAOYSA-N 428.470 4.005 5 20 IIBD CCOC(=O)c1cnn(-c2cccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)c2)c1C 609784148 RUTQKILVXYLKLI-UHFFFAOYSA-N 442.859 4.100 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1CN(C)C(=O)c1cccs1 609981744 YTNOYEPGWFQXPE-UHFFFAOYSA-N 425.466 4.189 5 20 IIBD COc1cc(C(=O)NCc2ccccc2CN2C[C@H](C)C[C@@H](C)C2)cc([N+](=O)[O-])c1OC 610196380 VMRNNCSINMJBNH-IAGOWNOFSA-N 441.528 4.020 5 20 IIBD O=C(Nc1cc(Br)c(F)cc1Cl)c1cc([N+](=O)[O-])cc2c1OCCO2 610578551 ALDQKDHURYGDND-UHFFFAOYSA-N 431.601 4.173 5 20 IIBD COC(=O)c1ccc(OCC(=O)N[C@@H](c2ccc(C)cc2)c2cccs2)cc1[N+](=O)[O-] 613110079 GEPZFAMDSTVGAU-NRFANRHFSA-N 440.477 4.036 5 20 IIBD COc1cc(C(=O)N2Cc3cccc(Br)c3C2)c([N+](=O)[O-])cc1OC(F)F 613689695 VDCSVXKZRCNBTK-UHFFFAOYSA-N 443.200 4.123 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OCc2ccccc2C(F)(F)F)ccc1[N+](=O)[O-] 726675892 XBHXBDVIGFIJGP-GOSISDBHSA-N 436.386 4.270 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(CC[C@H](O)c3ccccc3)cc2)cc1[N+](=O)[O-] 727360318 KZBBQAMOWHAUBE-NRFANRHFSA-N 442.493 4.070 5 20 IIBD C[C@H](OC(=O)CCc1ccccc1OC(F)(F)F)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 727553347 FOWMTOHEFXNFFL-NSHDSACASA-N 444.337 4.136 5 20 IIBD COc1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cc1F 727588972 BYZIEQXICUKCMD-UHFFFAOYSA-N 442.369 4.115 5 20 IIBD CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 727990853 AVQSZNVGWHKDNZ-JCSUNJAGSA-N 446.554 4.223 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1OS(=O)(=O)c1cc(Br)c(F)cc1F 728586306 KVVGDHACWBMLLC-UHFFFAOYSA-N 428.594 4.057 5 20 IIBD CCn1c(COC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)nc2c(F)cccc21 728616535 NUSJSGYOWZKOJN-UHFFFAOYSA-N 426.448 4.063 5 20 IIBD Cc1ccc(-c2csc(NC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)n2)cc1[N+](=O)[O-] 730166780 SLMQBZLQQCZVRG-CQSZACIVSA-N 440.456 4.157 5 20 IIBD O=C(COC(=O)CCc1cc(Br)cs1)Nc1ccc(Cl)c([N+](=O)[O-])c1 730647944 PHSSQGKXVIQOKZ-UHFFFAOYSA-N 447.694 4.187 5 20 IIBD Cc1c(C(=O)OC[C@@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])oc2c(F)cccc12 730705928 SXIRQUGDZLBHKR-AWEZNQCLSA-N 426.400 4.250 5 20 IIBD O=C(NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1cc(F)ccc1[N+](=O)[O-] 731347528 ABCKDMHMKWLZMS-UHFFFAOYSA-N 426.275 4.435 5 20 IIBD Cc1ccc(COc2cccc(NC(=O)C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)c2)cc1 732477439 CMNVSKFXCDNJIC-KRWDZBQOSA-N 433.464 4.298 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)CCc2cscn2)c2ccccc2)c([N+](=O)[O-])c1 733528709 RJHXKBZWWHAVAF-FQEVSTJZSA-N 425.466 4.216 5 20 IIBD O=C([C@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1)N1CCc2c1cccc2[N+](=O)[O-] 737581836 KBGUEXXAMMQNRO-ZDKIGPTLSA-N 439.899 4.232 5 20 IIBD Cn1cc(-c2cccc(C(=O)Oc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)c2)cn1 741515954 DIPKMKLJWHSMLO-UHFFFAOYSA-N 442.431 4.467 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCCc2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-])c1ccccn1 742007498 KOOYVAUJCXBSDW-OAHLLOKOSA-N 435.440 4.044 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)cc1[N+](=O)[O-] 743267147 KMVMIMSSKPMSMN-AWEZNQCLSA-N 435.502 4.290 5 20 IIBD COc1ccc(CNc2ccc3c(c2)N(C)C(=O)CO3)cc1OCc1ccc([N+](=O)[O-])cc1 743500940 AZTWTSJQCIWWMS-UHFFFAOYSA-N 449.463 4.150 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)C2(c3cccc(Cl)c3)CCOCC2)cccc1[N+](=O)[O-] 744850208 MOGWLTHLGMGTOW-OAHLLOKOSA-N 446.887 4.175 5 20 IIBD Cc1ccccc1C1(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCOCC1 744858592 NVPYUSYLTSDVLP-HNNXBMFYSA-N 446.887 4.175 5 20 IIBD O=C(CSc1nc(-c2ccc(F)cc2)cs1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 746124299 HUFCSIFYPAIWHD-UHFFFAOYSA-N 433.442 4.317 5 20 IIBD CN(Cc1nc(C(F)(F)F)cs1)c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] 746390587 LSBAVVWJCNPGIV-UHFFFAOYSA-N 449.354 4.000 5 20 IIBD CN(Cc1ccc(Cl)s1)C(=O)COC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 747123206 FIJLBIWTAIIBMR-UHFFFAOYSA-N 436.795 4.144 5 20 IIBD C[C@@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)Nc1ccc(F)cc1F 747958433 MJYKNEPEZBMUMS-SNVBAGLBSA-N 433.392 4.181 5 20 IIBD O=C(CNc1ccccc1[N+](=O)[O-])O[C@@H](c1ccccc1)c1nc(-c2ccccc2)no1 749052230 FPRFYJRMFINQND-NRFANRHFSA-N 430.420 4.390 5 20 IIBD O=c1c2sccc2nc(SC[C@H](O)c2cccc([N+](=O)[O-])c2)n1Cc1ccccc1 749639226 OBXBZVOJFDIFAK-SFHVURJKSA-N 439.518 4.240 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](N(C)c2ccc(C)cc2)C1 753045855 MIOYLRXYQJCULC-HXUWFJFHSA-N 443.569 4.383 5 20 IIBD COc1cc(N)c([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1c(C(C)C)cccc1C(C)C 753454982 WJSZTYMCYBIGLG-UHFFFAOYSA-N 429.473 4.228 5 20 IIBD C[C@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 754320061 SDRKBDAVLRWGCR-DOTOQJQBSA-N 430.505 4.375 5 20 IIBD CN(C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C1CCN(Cc2ccccc2)CC1 755025410 MUMOXVGMCRAQRN-UHFFFAOYSA-N 447.333 4.486 5 20 IIBD C[C@@H](OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 761133911 QYBTULQLAOPQDF-SECBINFHSA-N 440.243 4.188 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)O[C@H]1CCCN(c2ccccc2F)C1=O 763643109 JFCRWZSZDPQPMW-QHCPKHFHSA-N 444.462 4.033 5 20 IIBD O=C(O[C@@H]1CCO[C@H](C2CCOCC2)C1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 765638137 HCTNVIJRVFUYJN-OFNKIYASSA-N 440.496 4.338 5 20 IIBD COc1cc(-c2nc(COC(=O)c3ccc([N+](=O)[O-])c4cccnc34)cs2)ccc1O 766219136 HMGNNGFGSXDBOS-UHFFFAOYSA-N 437.433 4.338 5 20 IIBD C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 769216582 KLQQRIPGSAKAHQ-VXGBXAGGSA-N 444.435 4.106 5 20 IIBD COc1cc(CNC(=O)c2cc(F)c([N+](=O)[O-])cc2F)ccc1OCc1ccccc1 769476243 ZKXJHGDQJYYCCM-UHFFFAOYSA-N 428.391 4.391 5 20 IIBD CC[C@]1(C)NC(=O)N(NC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)C1=O 769815845 OUQLUIPABAQQQV-SANMLTNESA-N 441.487 4.299 5 20 IIBD COCCOc1ccc(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(Cl)c1 770419684 WBPRPUDCUPLMSE-LBPRGKRZSA-N 447.831 4.241 5 20 IIBD COC(=O)COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1Cl 771491996 IARAZFGKOUKXGC-UHFFFAOYSA-N 447.875 4.043 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1cc(Cl)nc(Cl)c1)c1ccccc1[N+](=O)[O-] 771582794 MDDNHOQGIQMPCH-CYBMUJFWSA-N 426.256 4.109 5 20 IIBD COC(=O)[C@@H]1CCC[C@@H](C(=O)O[C@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])C1 774367220 FQWYPZHRVXBZCY-IIAWOOMASA-N 442.306 4.068 5 20 IIBD O=[N+]([O-])c1cccc([C@H](O)CS(=O)(=O)Cc2nc(-c3ccccc3Cl)cs2)c1 774729849 MUBUJWAITSSTOW-QGZVFWFLSA-N 438.914 4.020 5 20 IIBD CC[C@@H](Cc1ccccc1Br)N(C)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 775405005 IIMWAAQPXFWAHK-INIZCTEOSA-N 449.301 4.028 5 20 IIBD COc1cc(CNc2ccc(-n3ccnc3)nc2)c([N+](=O)[O-])cc1OCc1ccccc1 777514046 SRUWWZOLEJTACI-UHFFFAOYSA-N 431.452 4.375 5 20 IIBD CCc1cc(C(=O)O[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)cc(O)n1 778176315 ZPROCXAWXWALSJ-NRFANRHFSA-N 435.436 4.103 5 20 IIBD CCc1ccc([C@H](C)NC(=O)[C@@H](C)OC(=O)c2cccc([N+](=O)[O-])c2Br)cc1 781676721 WXQRWZCCEPWXCF-QWHCGFSZSA-N 449.301 4.342 5 20 IIBD CCCN(C(=O)c1ccccc1NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C 781741679 FBUDTIZASJJRMM-UHFFFAOYSA-N 442.472 4.335 5 20 IIBD O=C(Nc1cccc(OCCc2ccccc2)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 783211931 XEIBCLICPOYAIP-UHFFFAOYSA-N 439.855 4.447 5 20 IIBD C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 784082083 FHWYCPZJUTXCSJ-QWHCGFSZSA-N 443.953 4.102 5 20 IIBD Cc1cc(C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)c(C)nn1 786017341 VWBSIWUGQPSQEB-IBGZPJMESA-N 440.843 4.192 5 20 IIBD C[C@H](OC(=O)c1ccc(Cl)c(N)c1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 786634518 IYTWXSAYLQUNBA-ZETCQYMHSA-N 432.647 4.321 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccnc(Oc2ccc(F)cc2F)c1 789046623 ZGWKRISKKUHNET-UHFFFAOYSA-N 443.362 4.164 5 20 IIBD CCOC[C@H](NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C 789866359 MCKWPXRLMNRZER-IBGZPJMESA-N 433.892 4.291 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Oc2ccc(Oc3ccccn3)cc2)c(C)c1[N+](=O)[O-] 790824206 RUQFDTLBENMMQP-UHFFFAOYSA-N 445.409 4.075 5 20 IIBD CCOC(=O)Nc1ccc(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cc1 791174467 LOAHTTSYWCLNLZ-UHFFFAOYSA-N 448.273 4.124 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(-n2ccc(C(F)(F)F)n2)c1 792020848 PLEAHTFQWFDXQQ-UHFFFAOYSA-N 436.302 4.065 5 20 IIBD O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)c1 795782496 KMRSCOPIKXPJCS-NSHDSACASA-N 439.852 4.097 5 20 IIBD COC(=O)/C=C/c1ccc(OC)c(OC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1 797308793 FLYIQHMIMITAOC-XBXARRHUSA-N 437.857 4.141 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCCC3(CCN(C)CC3)C2)c([N+](=O)[O-])c1 799178608 XLCACWTUSGPTQX-QHCPKHFHSA-N 436.556 4.391 5 20 IIBD CCN(Cc1cccc(-c2ccncc2)c1)C(=O)C(=O)Nc1c(F)ccc([N+](=O)[O-])c1C 800610203 JEWYGBBCAAIRCN-UHFFFAOYSA-N 436.443 4.092 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(Cc3nc(C(C)C)no3)cc2)cc1[N+](=O)[O-] 801709914 AQRMUMQHJYTILA-UHFFFAOYSA-N 425.401 4.161 5 20 IIBD Cc1nn(CNNc2cc([N+](=O)[O-])ccc2Br)c(=S)n1Cc1ccccc1 802742808 XYUDDWJKTVYDJG-UHFFFAOYSA-N 449.334 4.016 5 20 IIBD CN(CC(=O)OC[C@H]1CCO[C@H]1c1ccccc1)c1cc(Br)ccc1[N+](=O)[O-] 802766324 BLOOSQFIDPYLKK-QRWLVFNGSA-N 449.301 4.115 5 20 IIBD Cn1nc(-c2ccccc2)nc1Cc1noc(-c2cc([N+](=O)[O-])ccc2N2CCCCC2)n1 809448375 KITLRPFLONPPDW-UHFFFAOYSA-N 445.483 4.021 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)c1ccc(C(F)(F)F)nc1Cl 811208013 NKVGCIYPGSQUKH-UHFFFAOYSA-N 432.738 4.100 5 20 IIBD Cc1cc(NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)nn1C1CCCCC1 811719500 YWUUBMXCMPZSIG-UHFFFAOYSA-N 443.323 4.168 5 20 IIBD CCOc1ccc([C@H](O)C2CCN(c3ncc([N+](=O)[O-])cc3Br)CC2)cc1 812483261 YENRDMTWPYLSCC-SFHVURJKSA-N 436.306 4.101 5 20 IIBD COc1ccc([C@H](O)C2CCN(C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 812891510 IZAJTMDBLVCZGJ-AOMKIAJQSA-N 427.501 4.128 5 20 IIBD O=C(O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)c1cc(F)c(C(F)(F)F)cc1F 813173187 YVWFEIWXFVOONS-ZDUSSCGKSA-N 430.329 4.323 5 20 IIBD CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3Cl)cc2)c1C 813244732 OOOPHESFRZGVGT-UHFFFAOYSA-N 428.832 4.171 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C(=O)Nc1ccccc1C(F)(F)F 814484915 PEWBLIKUNSFMAU-SNVBAGLBSA-N 443.353 4.003 5 20 IIBD COc1ccc(C(=O)N2CCCC2)cc1NCc1c(Br)cccc1[N+](=O)[O-] 864026894 KJEWEEITRFRBQH-UHFFFAOYSA-N 434.290 4.214 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N(C)C2CCCCC2)cc1 915250440 TYKOZRYYOBWASM-UHFFFAOYSA-N 442.468 4.344 5 20 IIBD O=Cc1cc([N+](=O)[O-])ccc1OCC(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 917180974 IYTUAQGLZUGZPN-NRFANRHFSA-N 443.459 4.216 5 20 IIBD O=C(Nc1cccc(-c2cn3c(n2)CCCC3)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 917497666 WLXCHKDPZKYEIH-UHFFFAOYSA-N 428.452 4.233 5 20 IIBD CC(C)Oc1cccc([C@@H](C)NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c1 917651558 AWNBVFIBYCTIKR-GFCCVEGCSA-N 443.319 4.184 5 20 IIBD CCN(C(=O)[C@@H](C)OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc2ccccc12 918023722 MRNXKIUOYMWPPH-CQSZACIVSA-N 436.420 4.075 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2cnn(C(C)(C)C)c2)c2ccccc2)c([N+](=O)[O-])c1 919502853 YSGSXOWXLXHJBW-HXUWFJFHSA-N 436.468 4.392 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)ccc1F 919699231 MEHVKIADIFIKOD-CYBMUJFWSA-N 438.415 4.341 5 20 IIBD COc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 919728421 ZMQBMDIFDDTWFR-UHFFFAOYSA-N 430.457 4.134 5 20 IIBD COC(=O)c1cc(COC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)oc1C 920119649 ZXZQWHUQGHVGLM-CYBMUJFWSA-N 439.424 4.208 5 20 IIBD O=C(COc1cc(Cl)ccc1[N+](=O)[O-])N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 920993183 VFGSUQFDXQMQJJ-MRXNPFEDSA-N 432.860 4.152 5 20 IIBD O=Cc1ccc(-c2ccc(C(=O)OCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc2)o1 1115998590 JLGPEKIIVHXALV-UHFFFAOYSA-N 428.784 4.116 5 20 IIBD CCS(=O)(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c1 1318682370 BBAPIHMAZZQHFF-UHFFFAOYSA-N 426.450 4.433 5 20 IIBD COc1ccccc1NC(=O)c1ccc(NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc1 1319145018 IZGZYYUNZIBGDK-UHFFFAOYSA-N 432.436 4.403 5 20 IIBD CC(C)n1ncc2c1[C@H](NCc1cc(I)cc([N+](=O)[O-])c1)CCC2 1323936980 YRQUWSFKBFGQKW-MRXNPFEDSA-N 440.285 4.144 5 20 IIBD O=C(c1csc(-c2ccccc2Cl)n1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1325861535 QNFGGWXNXDIHHF-UHFFFAOYSA-N 442.928 4.330 5 20 IIBD O=C(Nc1cc(C(F)(F)F)cc(Br)n1)N1CCc2ccc([N+](=O)[O-])cc2C1 1326736932 AUSDAUORCVYKGK-UHFFFAOYSA-N 445.195 4.361 5 20 IIBD CC(C)(C)OC(=O)NCCCc1nnc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)o1 1327903786 CPQZVPGWSDTKLV-UHFFFAOYSA-N 431.474 4.226 5 20 IIBD O=C1Nc2ccccc2[C@H]1C1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 1330123071 MNSDJDNQKBZPOS-QGZVFWFLSA-N 434.279 4.490 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1-c1nnc(CN2CCN(Cc3ccccc3Cl)CC2)o1 1341690779 JJPQKTRRUZJJBL-UHFFFAOYSA-N 448.310 4.269 5 20 IIBD O=C(CC(F)(F)F)NC1(c2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc2)CCC1 1790755152 VECXWWMPNWNOGE-UHFFFAOYSA-N 437.374 4.001 5 20 IIBD CC(=O)C(=O)NC1(c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2)CCC1 1791010829 GFBZYDDRZMTQEV-UHFFFAOYSA-N 437.477 4.146 5 20 IIBD C[C@@H]1CCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 1797923036 SAGBQGYAWCSGJD-WIMVFMHDSA-N 441.553 4.498 5 20 IIBD CC(C)[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1 1800343362 LSLIHYWYQCAFTH-FWIIZBITSA-N 443.544 4.015 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CC(C)(C)C)CC2 1823694557 REOSORIWSGYLGJ-LBPRGKRZSA-N 448.520 4.161 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC2(CCCN2C(=O)c2ccsc2)C1 1842381170 IYNDFPWIABZXIX-UHFFFAOYSA-N 427.507 4.002 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccc(C2SCCS2)cc1 9791225 QJKHDMKFXDRMEI-GFCCVEGCSA-N 448.522 4.266 5 20 IIBD COc1ccc([C@H](N[C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c2ccccc2)cc1 10352050 NNKPOWMIMQVJGP-WAIKUNEKSA-N 435.480 4.318 5 20 IIBD CCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OCC 11341654 BVPYDVNLHHFXAP-LBPRGKRZSA-N 436.848 4.230 5 20 IIBD CCOC(=O)c1cc(C(=O)NCCc2ccc(-c3csc(C)n3)cc2)cc([N+](=O)[O-])c1 12620909 FDJYPMBOVVLKOG-UHFFFAOYSA-N 439.493 4.176 5 20 IIBD CC(C)(C)NC(=O)CNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 15175733 QVLSGEUCGNEUQT-UHFFFAOYSA-N 444.538 4.000 5 20 IIBD Cc1cc(=O)oc2cc(Oc3ccc(S(=O)(=O)C(F)(F)F)cc3[N+](=O)[O-])ccc12 18055034 PVXZMEHPQDJGJH-UHFFFAOYSA-N 429.328 4.095 5 20 IIBD COc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)cc1F 18706602 IENWQZQJSNPJIN-UHFFFAOYSA-N 432.389 4.335 5 20 IIBD C[C@@H](OC(=O)c1ccc(Cl)cc1O)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 20991527 YMPGSSINZQMQGI-MRVPVSSYSA-N 432.738 4.157 5 20 IIBD O=[N+]([O-])c1cc2c(c(CSc3nc(-c4ccc(Br)cc4)n[nH]3)c1)OCOC2 21232261 ZORFONZSADHAGL-UHFFFAOYSA-N 449.286 4.301 5 20 IIBD Cc1nc2c(cnn2C(C)C)cc1C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 26257173 HYGKTGMMMMAGQV-GFCCVEGCSA-N 445.863 4.066 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ccc(C(F)(F)F)nc2)cc1)c1cccc([N+](=O)[O-])c1 26259743 ABPBEBBBFPYNFK-UHFFFAOYSA-N 431.326 4.480 5 20 IIBD CCNc1nc(SCCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nc2ccccc12 31766769 QIGFBQXCPPIRLT-UHFFFAOYSA-N 427.486 4.099 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CCCc3cc(Cl)ccc32)cc1[N+](=O)[O-] 31925673 HTLLHOAXNGASAS-UHFFFAOYSA-N 429.889 4.121 5 20 IIBD COc1ccc2c(c1)CN(C(=O)c1ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c1)CC2 108957562 OSEOVWDUIADBGP-MRXNPFEDSA-N 432.480 4.370 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2csc(-c3ccc(Cl)cc3)n2)CC1 110459811 FDHFJBLLLMXIIX-UHFFFAOYSA-N 442.928 4.330 5 20 IIBD COc1cc(CNCC2(c3ccc(Cl)cc3Cl)CCOCC2)c([N+](=O)[O-])cc1O 237373729 PQVMPORFZNNADE-UHFFFAOYSA-N 441.311 4.454 5 20 IIBD O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 303408600 QOKOJAYYQCIBRN-JOCHJYFZSA-N 444.491 4.149 5 20 IIBD CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 426222269 JJMMVVDREAOWSG-PIGZYNQJSA-N 429.370 4.328 5 20 IIBD Cc1ccc(-c2nc(CN[C@@H](Cc3c[nH]c4ccc([N+](=O)[O-])cc34)C(=O)O)cs2)cc1 426744198 WCYFXUIRNRODRK-FQEVSTJZSA-N 436.493 4.294 5 20 IIBD Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)n2)c1 428387777 UVDZHYHBVHMBGU-OAHLLOKOSA-N 444.451 4.367 5 20 IIBD CCOc1ccc([C@@H](C)NC[C@H](CO)Cc2ccc(Br)cc2)cc1[N+](=O)[O-] 429415779 GQMRLVHLFBSLRP-GDBMZVCRSA-N 437.334 4.258 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N[C@@H](CO)CC(F)F 430524634 LWJCTOSFLAGYMY-AAWPKVBNSA-N 447.463 4.268 5 20 IIBD NC(=O)c1ccc(SCC(=O)N[C@H](c2cccc(Cl)c2)C2CCCC2)c([N+](=O)[O-])c1 434324721 OEJIRFMLNXIQRJ-FQEVSTJZSA-N 447.944 4.487 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2nc3c(s2)C[C@@H](C(C)(C)C)CC3)cc1[N+](=O)[O-] 434809073 MXBIHVXMSGFBIL-HIFRSBDPSA-N 444.557 4.327 5 20 IIBD O=C(N[C@H](c1ccccc1F)C1CCCC1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 435816781 KVEFTRFJIZNXFB-QFIPXVFZSA-N 439.443 4.049 5 20 IIBD COc1cc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)ccc1N1CCCC1=O 435950360 QMGBIXDMQIADIG-UHFFFAOYSA-N 427.460 4.069 5 20 IIBD O=C1CCCc2cc(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)ccc2N1 436315807 HDNMIJITYISMOV-UHFFFAOYSA-N 433.414 4.487 5 20 IIBD C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1nc(-c2cccc(F)c2)no1 437156475 RXCWXMXKLBZHRU-SECBINFHSA-N 435.209 4.037 5 20 IIBD Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 438921460 QSMYZJKPWZXQHI-UHFFFAOYSA-N 436.493 4.419 5 20 IIBD Cc1c(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)cccc1S(=O)(=O)NC(C)(C)C 438965917 LRVSPWGGAYVCPJ-UHFFFAOYSA-N 433.530 4.356 5 20 IIBD COc1ccc(Br)c(/C=C2/CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)c1 439145306 WYECESHTFMFECL-FLIBITNWSA-N 428.242 4.020 5 20 IIBD COc1ccccc1N1C[C@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1=O 440600022 QYSHNTDCVFNCBT-LJQANCHMSA-N 445.475 4.190 5 20 IIBD CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])CC2 442717025 RQTSRJPKVXOLFT-RTWAWAEBSA-N 442.537 4.138 5 20 IIBD C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 444212364 KPRDMLHUQRMQPD-ZBEGNZNMSA-N 431.297 4.052 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCc1nc(-c2ccc(Oc3cccc(N(C)C)c3)cc2)no1 445238959 QOZISIIVVLBZBX-UHFFFAOYSA-N 434.456 4.251 5 20 IIBD Cc1nn(-c2ccccc2Cl)c2sc(-c3nc(-c4c([N+](=O)[O-])ncn4C)no3)cc12 445578290 BMGRVULMMPZLSA-UHFFFAOYSA-N 441.860 4.408 5 20 IIBD COc1sc(/C=C2\CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)cc1Br 447028418 NZFJSWLKMKVTLE-RMKNXTFCSA-N 434.271 4.082 5 20 IIBD Cc1ccccc1-c1nnc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1C[C@@H]1CCOC1 461552603 SLSWOYWXGSWJDK-SFHVURJKSA-N 433.512 4.367 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(N2CCc3ccccc3C2)nc1 462430648 IKXCWGPWJYIIBA-NRFANRHFSA-N 444.535 4.438 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2[nH]c3ccc(C(=O)OC)cc3c2C1 462913465 ZXBDLJFYAVTAPI-INIZCTEOSA-N 435.480 4.016 5 20 IIBD COc1cc(CSc2nnc(NCCc3cccs3)s2)c([N+](=O)[O-])cc1F 463437875 ULHQLKVYFGIBBO-UHFFFAOYSA-N 426.520 4.602 5 20 IIBD COc1ccccc1C[C@H](C)N(C)C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 464167480 DECCTAAIUXAAPG-INIZCTEOSA-N 436.512 4.168 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCc2sccc2[C@H]1c1cccs1 465054934 ADONGDLIVNWNRN-NRFANRHFSA-N 442.518 4.206 5 20 IIBD CSc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)cc1[N+](=O)[O-] 468097003 GRLXDPQVJQCJKS-LJQANCHMSA-N 435.505 4.297 5 20 IIBD CC[C@@H](Cc1ccccc1)N(CC)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 469458977 MQRPFOQOXFJHTL-SFHVURJKSA-N 425.485 4.153 5 20 IIBD CN(C)[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(C(F)(F)F)c1 469487597 IXGXRCULDREIBA-LJQANCHMSA-N 434.418 4.057 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cc([C@@H]3CCCOC3)[nH]n2)cc1 473412686 OIIYREIIIYOTHG-CQSZACIVSA-N 438.440 4.265 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@H](CO)c1ccc(Br)cc1 475189485 JFSITCTZWQTDLL-CYBMUJFWSA-N 448.195 4.231 5 20 IIBD Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 479747185 NUGVSAHCRKSLLS-UHFFFAOYSA-N 447.495 4.404 5 20 IIBD Cc1cc(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)ccc1[N+](=O)[O-] 481841256 FHSHZUUIZQGHRA-UHFFFAOYSA-N 428.854 4.015 5 20 IIBD CCN(C(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-])[C@H](C)C(F)(F)F 484646099 OCRYDSAVGGWKRY-SNVBAGLBSA-N 433.408 4.052 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CN1C(=O)[C@H](c2cccs2)N(Cc2ccccc2)C1=O 485375060 RCEVWDWPVGKVBU-FQEVSTJZSA-N 437.477 4.371 5 20 IIBD CC[C@@H](NC(=O)Nc1ccc(N2CCOCC2)c2ccncc12)c1cccc([N+](=O)[O-])c1 493050723 JXRYVCRVGNEPII-HXUWFJFHSA-N 435.484 4.252 5 20 IIBD CO[C@H]1CCN([C@@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c2ccccc2)C1 494894801 QOMNPLQEKKCCFH-AZUAARDMSA-N 438.509 4.119 5 20 IIBD Cc1noc(CSc2ccc(C(=O)N3CCS[C@@H]3c3ccc([N+](=O)[O-])cc3)cc2)n1 498141214 WISPZZPRZYHRKE-HXUWFJFHSA-N 442.522 4.466 5 20 IIBD COc1cc(C(=O)Nc2cccc(OCc3cccnc3)c2)c([N+](=O)[O-])cc1OC(F)F 502147917 RRKVKFMSBQFBAX-UHFFFAOYSA-N 445.378 4.431 5 20 IIBD CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 502478492 MXDHVMRPHSUJNR-XDHUDOTRSA-N 433.508 4.309 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)OC)(c2ccccc2)CC1 502619179 MGWGXTOUDRYPKK-UHFFFAOYSA-N 442.537 4.444 5 20 IIBD CCOc1cc(C(=O)Nc2cc(OC)ccc2Br)c([N+](=O)[O-])cc1OC 503488121 OJNFYOBGBJBESQ-UHFFFAOYSA-N 425.235 4.026 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCc2c(Br)cccc2C1 503877899 WROWOISJUALKHU-NSHDSACASA-N 439.693 4.363 5 20 IIBD CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(=O)c1ccc([N+](=O)[O-])n1C 504767903 BCKIFUXTIOFAPG-UHFFFAOYSA-N 446.813 4.095 5 20 IIBD C[C@H]1Oc2ccc(NC(=O)c3ccc(N[C@H](C)c4ccccn4)c([N+](=O)[O-])c3)cc2NC1=O 506039773 CDONNGNFVZSCOI-ZIAGYGMSSA-N 447.451 4.135 5 20 IIBD O=C(NCCCNc1ccc2cc([N+](=O)[O-])ccc2n1)c1cccc(Br)c1 507023626 XAIWBEQSEFJLLP-UHFFFAOYSA-N 429.274 4.138 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@@H]3CCOc4c(Cl)cccc43)cc2)c(C)c1[N+](=O)[O-] 507902364 MYOCFKKOZDFSNR-LJQANCHMSA-N 440.887 4.363 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)Nc2ccc3nn[nH]c3c2)cc1[N+](=O)[O-] 508001895 SGTSYXJIUQSKOS-UHFFFAOYSA-N 433.449 4.071 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CCOc2c(-c3ccccc3)cccc21 509744254 FGVDTBCRYFPGDC-SFHVURJKSA-N 428.441 4.203 5 20 IIBD Nc1c(C(=O)NCC2(c3ccc(Cl)cc3Cl)CCOCC2)cc(F)cc1[N+](=O)[O-] 510080426 VKBXIXJZTFTLNZ-UHFFFAOYSA-N 442.274 4.101 5 20 IIBD CC(C)[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1nncn1C 512501143 FDDOITJSKISYJB-QGZVFWFLSA-N 434.294 4.233 5 20 IIBD Cc1cccn2cc(COc3ccc(C(=O)N(C)CCc4cccc([N+](=O)[O-])c4)cc3)nc12 513025474 GALBUKFEKWXNLG-UHFFFAOYSA-N 444.491 4.445 5 20 IIBD O=C(NC[C@H](c1ccccc1)N1CCOCC1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 514558245 YVHPLMQAHXGOQW-HSZRJFAPSA-N 447.491 4.190 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 514641203 LOOWIAPQNMYXLG-HUUCEWRRSA-N 445.541 4.131 5 20 IIBD Cc1cc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1NC(=O)c1ccco1 516786137 SGILTILKDAYESB-UHFFFAOYSA-N 435.845 4.203 5 20 IIBD C[C@@H](NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc(Oc2cccnc2)cc1 517257909 JWOBPSXFVAVCES-MRXNPFEDSA-N 434.452 4.431 5 20 IIBD COc1ccc(CNC(=O)CCc2c(C)nn(Cc3ccc(C)cc3)c2C)cc1[N+](=O)[O-] 518537971 PPXDGDFZXJLGLY-UHFFFAOYSA-N 436.512 4.022 5 20 IIBD Cc1ccc(-n2nc(C)cc2NC(=O)Cc2noc([C@@H](C)c3cccc([N+](=O)[O-])c3)n2)cc1 519735944 GQCVOJDFDDDXBW-INIZCTEOSA-N 446.467 4.113 5 20 IIBD CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 520317337 UOFMEAQVLXXQRS-ZDUSSCGKSA-N 428.876 4.439 5 20 IIBD CC(=O)Nc1cccc(OCCNCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)c1 520960112 ILPQXCNAYNYCHH-UHFFFAOYSA-N 434.496 4.490 5 20 IIBD O=C(CNc1ccccc1[N+](=O)[O-])NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 521329380 CHMLZNQESPDPBT-UHFFFAOYSA-N 437.327 4.094 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 523567636 DKEQSLQJCXJJDZ-UHFFFAOYSA-N 446.301 4.157 5 20 IIBD CCN(c1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-])[C@H](C)c1cccnc1 523752942 ZTUKBIDGVLIBEV-QGZVFWFLSA-N 432.546 4.142 5 20 IIBD O=C(N[C@@H](Cc1ccccc1)c1ccccc1F)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 525363354 LBCMGNOTMXFFAP-FQEVSTJZSA-N 431.427 4.028 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC1CCN(c2nc3ccccc3s2)CC1 531686748 HJIHTAPRGPMZNP-UHFFFAOYSA-N 425.514 4.015 5 20 IIBD COc1cc(CNc2cnn(-c3ccccn3)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 534336305 UPPKGINRUQYQGD-UHFFFAOYSA-N 431.452 4.375 5 20 IIBD O=C(NCc1cccnc1-n1cccn1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 538846604 PRSOWUINQLCAQS-UHFFFAOYSA-N 431.477 4.257 5 20 IIBD Cc1nc(C2CCCCC2)sc1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 539354527 TVHNWHPXOVDHJG-UHFFFAOYSA-N 442.541 4.006 5 20 IIBD Cc1ccc([C@@H](C)NCc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)cc1[N+](=O)[O-] 539378447 FIIMOASAFLQWLS-LLVKDONJSA-N 440.813 4.402 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CCS(C)(=O)=O)cc1 539688828 RJAORYDITQMEDD-UHFFFAOYSA-N 436.555 4.326 5 20 IIBD CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c2ccccc12 539777624 SZEHHCMDJFNFLT-UHFFFAOYSA-N 441.509 4.306 5 20 IIBD COc1cc(CN2CC[C@@H]3[C@H](CCCN3C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 539899723 JTUFMOZRLOYGBX-IFMALSPDSA-N 425.529 4.099 5 20 IIBD Cc1cc(NC(=O)c2ccc(=O)n(CCOc3ccccc3Cl)c2)ccc1[N+](=O)[O-] 540748764 WEZSTERKMUCMNH-UHFFFAOYSA-N 427.844 4.050 5 20 IIBD Cc1nn(CCC(=O)Nc2cc(C)n(-c3ccc(Cl)cc3Cl)n2)c(C)c1[N+](=O)[O-] 540750908 RWSSFFLARVVQPS-UHFFFAOYSA-N 437.287 4.238 5 20 IIBD O=C(CCn1c(=O)oc2cc(Cl)ccc21)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 541997243 ZLZADLLVEYXTAU-UHFFFAOYSA-N 429.738 4.204 5 20 IIBD CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1 542032260 KNJQDRUJYJKHQY-SFHVURJKSA-N 434.443 4.182 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCC(CCCn2ccnc2)CC1 542168392 SJQLKQOHAKAOHZ-UHFFFAOYSA-N 440.422 4.065 5 20 IIBD CCOc1cc(NC(=O)N2CCC(CCCn3ccnc3)CC2)c([N+](=O)[O-])cc1OCC 543060902 BGAKAZZSZPFNBT-UHFFFAOYSA-N 445.520 4.313 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(C(F)(F)F)nn1 543848620 JDOCDGDHBVSVSL-UHFFFAOYSA-N 426.298 4.153 5 20 IIBD COc1ccc(OCCOc2c(F)cc(Br)cc2C(C)=O)c([N+](=O)[O-])c1 544080287 HCBNWTMTGMJZLR-UHFFFAOYSA-N 428.210 4.165 5 20 IIBD O=C(c1ccccc1OC(F)F)N1CCC[C@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 545552806 NDQYCXKTEQJLDY-AWEZNQCLSA-N 444.394 4.266 5 20 IIBD CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F 546558639 LAXGWFPNTPGREJ-IBGZPJMESA-N 427.520 4.382 5 20 IIBD O=[N+]([O-])c1ccccc1Cc1noc(-c2ccc(S(=O)(=O)c3ccccc3)s2)n1 546948540 DQHUFRKMMIPCHV-UHFFFAOYSA-N 427.463 4.130 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](COCc2ccccc2)C1 550273229 MJIIDCCLRWARGZ-INIZCTEOSA-N 433.302 4.345 5 20 IIBD COc1ccccc1[C@H](CN[C@@H](c1cccc([N+](=O)[O-])c1)c1nccn1C)N1CCCCC1 556862890 HMHBIKOUAMJYQR-UPVQGACJSA-N 449.555 4.243 5 20 IIBD COc1cccc(CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]2CCCO2)c1 557034212 KACAASSRFUIJSV-QFIPXVFZSA-N 437.496 4.482 5 20 IIBD COc1cc(OCC(=O)N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)ccc1[N+](=O)[O-] 560721432 NEYXFFHAMWGPCP-OAHLLOKOSA-N 438.402 4.407 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(N(C(C)=O)[C@@H]3C[C@@H]3C)cc2)cc1SC 561374935 PSQZJPZXAWRDRY-YVEFUNNKSA-N 429.498 4.339 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)s1 561820580 PKVVIZNAWPWTHC-ZDUSSCGKSA-N 438.303 4.029 5 20 IIBD CCOCc1ccccc1CNCc1cc(I)cc([N+](=O)[O-])c1 562068113 CSQQBZGVNWAJBD-UHFFFAOYSA-N 426.254 4.026 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c1 563817553 JSSHYPCMRSHQFK-UHFFFAOYSA-N 431.920 4.106 5 20 IIBD Cc1cc(OCc2nc(-c3cc(C(F)(F)F)ccc3-n3cncn3)no2)ccc1[N+](=O)[O-] 565269864 DZONOJDOXAGGEG-UHFFFAOYSA-N 446.345 4.132 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(c1nnc(CCc3ccco3)n1Cc1ccccc1)CC2 570868364 XPXLVGKWDBATOO-UHFFFAOYSA-N 429.480 4.176 5 20 IIBD COC[C@H](NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)c1ccc(F)c(F)c1 572861459 RDLRYDRJYBALIT-INIZCTEOSA-N 429.217 4.061 5 20 IIBD Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cccc1-n1cnnc1O 589655106 LGGVUPWMPWWUHV-UHFFFAOYSA-N 439.497 4.477 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1)N1CCC(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 590645588 JJGYGCRXOKLYGB-UHFFFAOYSA-N 447.413 4.055 5 20 IIBD CCN(CC)C(=O)COc1ccc(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1Cl 603657475 JGQDPQHSGBNNRT-UHFFFAOYSA-N 448.907 4.159 5 20 IIBD CC(=O)N(Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C1CC1 609863824 PSFGUHKOTIKUDS-CYBMUJFWSA-N 431.876 4.165 5 20 IIBD Cc1ccc(NCCCNC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)c([N+](=O)[O-])c1 610069899 KMACMBISQZHTEF-UHFFFAOYSA-N 427.427 4.106 5 20 IIBD CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)c1cc(F)ccc1F 610121325 VWXHQTOOKNGNLH-HNNXBMFYSA-N 446.191 4.359 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@@H]1c1cccc(F)c1 610346416 KLFQSUFHVVTTNF-MRXNPFEDSA-N 426.370 4.321 5 20 IIBD O=C(Nc1ccc(N2CCc3sccc3C2)nc1)c1cc([N+](=O)[O-])ccc1OC(F)F 611509742 YDUZUEHGTVXBLD-UHFFFAOYSA-N 446.435 4.468 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@@H](Cn2cnc3ccccc32)C1 613967572 MHONRUNBZRQYGA-GOSISDBHSA-N 433.512 4.097 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(C(=O)Nc2cccc(F)c2)CC1 725801817 GCBCSMXPONJMJO-CYBMUJFWSA-N 448.882 4.065 5 20 IIBD Nc1ccc(C(=O)NCc2ccccc2-c2ccc(Cn3cccn3)cc2)cc1[N+](=O)[O-] 727172374 BGWWPJZOQNYDPA-UHFFFAOYSA-N 427.464 4.019 5 20 IIBD COC(=O)c1cn(CC(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc12 728167350 UQVQCWYWRALSIV-UHFFFAOYSA-N 441.871 4.433 5 20 IIBD COc1cc2cc(C(=O)OCc3cc([N+](=O)[O-])ccc3OC(C)C)[nH]c2c(OC)c1OC 729117946 QRPPZFRDVYWWHN-UHFFFAOYSA-N 444.440 4.246 5 20 IIBD CC(C)OCc1cccc(NC(=O)c2ccc(I)c([N+](=O)[O-])c2)c1 730487441 XNLSFGOWQGQHAL-UHFFFAOYSA-N 440.237 4.377 5 20 IIBD O=C(Cc1ccc(Cl)cc1Cl)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730710204 YFQXSABUWDYJOV-HNNXBMFYSA-N 437.279 4.292 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1ccc(NC2CCCCC2)cc1 731621735 IHFNCAIRSSCITA-UHFFFAOYSA-N 427.457 4.178 5 20 IIBD CO[C@H](CNc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-])C(F)(F)F 733303458 QTDNDUOUTPTDJE-QGZVFWFLSA-N 447.435 4.002 5 20 IIBD O=C(COC(=O)C1(Sc2ccccc2)CCCC1)N1CCc2cc([N+](=O)[O-])ccc21 733556347 LFVGVTBISCGSDI-UHFFFAOYSA-N 426.494 4.132 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 735802576 CJXYZTIKTSARNO-UHFFFAOYSA-N 446.916 4.236 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCCc3nnc(S)n3C(C)C)c([N+](=O)[O-])c2)cc1 735833001 VDWNFAZDLNTEGX-UHFFFAOYSA-N 440.529 4.271 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 735931197 WVBMACLHUUYGRL-HNNXBMFYSA-N 449.423 4.017 5 20 IIBD COc1cc(N2CCC(OC(=O)CCCOc3cccc(C)c3)CC2)ccc1[N+](=O)[O-] 739386391 UWLAHRPCRDQUDX-UHFFFAOYSA-N 428.485 4.283 5 20 IIBD Cc1ccc([C@H](O)CNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)o1 741307322 QQNJWSZUIIRRHO-LJQANCHMSA-N 429.860 4.225 5 20 IIBD Cc1ccccc1NC(=O)CCN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 743270719 JGRAEKAPESZFMC-UHFFFAOYSA-N 436.434 4.073 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)c1 745391128 LDYLGUFMJZONAK-QFIPXVFZSA-N 436.489 4.296 5 20 IIBD O=C(CCc1ccccn1)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 745524065 JAPRICJTCUPWBF-OAQYLSRUSA-N 439.855 4.499 5 20 IIBD Cc1ccccc1-n1nc(C)c(CN(C)CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])c1C 745983574 YHIVSVCCPHGMOS-UHFFFAOYSA-N 441.919 4.430 5 20 IIBD COc1cc(Oc2ccccc2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 747288145 IBWSWESRDBNUEH-UHFFFAOYSA-N 449.463 4.485 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(F)cc1 747960919 ACBHDVLRLBGHNQ-QWHCGFSZSA-N 443.456 4.280 5 20 IIBD C[C@H](OC(=O)c1ccccc1NC(=O)OC(C)(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 748336272 SNPXVVYWCKPOJO-ZDUSSCGKSA-N 429.429 4.126 5 20 IIBD O=C(NCc1cccc(Cn2cccn2)c1)c1cc(Br)cc([N+](=O)[O-])c1Cl 749568922 ZGCCJUXWDXRMRR-UHFFFAOYSA-N 449.692 4.186 5 20 IIBD CC[C@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccccc1OCC(=O)N1CCCC1 750180099 RYXYQPOIKQVGJL-SFHVURJKSA-N 445.903 4.131 5 20 IIBD CC(C)N(C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1 751182441 RIDPMRCKFHNXIJ-INIZCTEOSA-N 447.919 4.294 5 20 IIBD CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc1 753065688 KCISDJHPKNDQJY-UHFFFAOYSA-N 439.921 4.276 5 20 IIBD C[C@@H](c1ccccc1)N1CCC(NC(=O)c2cccc([N+](=O)[O-])c2Br)CC1 753830172 XWRWCNGPNMWNKK-AWEZNQCLSA-N 432.318 4.313 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)N[C@H](C)c1ccc(Cl)cc1 754987959 NKXKUGPEUUCYTJ-ZJUUUORDSA-N 429.231 4.463 5 20 IIBD Cc1ccccc1[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)[C@H](C)CO1 755013204 IKCKDASCDVOQQP-SJKOYZFVSA-N 437.265 4.407 5 20 IIBD C[C@H](C(=O)OCC(=O)Nc1ccc(SC(F)F)cc1)c1ccc([N+](=O)[O-])cc1F 755051843 ANSFOLAAXAVTQG-JTQLQIEISA-N 428.388 4.334 5 20 IIBD C[C@@H](C(=O)OCC(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1ccc([N+](=O)[O-])cc1F 755051975 BIEBPLOQRBFHDS-LLVKDONJSA-N 447.419 4.282 5 20 IIBD C[C@H](OC(=O)CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCCCC2)cc1 756535207 MYZSGQCENOUJJI-KRWDZBQOSA-N 425.485 4.088 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)Nc1ccc(F)cc1I 757240026 GMDJXTOJAYCLRN-UHFFFAOYSA-N 449.607 4.314 5 20 IIBD COc1cccc(-c2nnc(NCc3ccc(Br)c([N+](=O)[O-])c3)o2)c1OC 758466402 AULIZACOMCTPLD-UHFFFAOYSA-N 435.234 4.037 5 20 IIBD CC(C)(C)OC(=O)NC1(c2noc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)n2)CCCC1 759192751 NFOMJONPVUSWKN-UHFFFAOYSA-N 427.461 4.344 5 20 IIBD CC[C@H](C)n1ncc2c(C(=O)O[C@@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)cc(C)nc21 759936715 GPBCBSLLMUNUQL-JCGIZDLHSA-N 426.477 4.156 5 20 IIBD COCCC1(CNc2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])CCCC1 760472496 QQEKFAIVWMPWGB-UHFFFAOYSA-N 432.271 4.283 5 20 IIBD COCCOc1ccc(Cl)cc1-c1noc([C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 762258856 PEMIPKJOBLUKJV-GOSISDBHSA-N 444.831 4.189 5 20 IIBD COc1ccc(-c2nnc(NC(=O)c3ccc(Br)c([N+](=O)[O-])c3)s2)cc1 762645280 NFRXWWDYGVSROR-UHFFFAOYSA-N 435.259 4.137 5 20 IIBD CN1CC[C@@H](CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 762724963 DWXHYEOQOVXOGW-UGSOOPFHSA-N 426.275 4.464 5 20 IIBD CN(C)S(=O)(=O)c1ccc(Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 763342745 DPPRKCXPHKZJGA-UHFFFAOYSA-N 443.437 4.213 5 20 IIBD Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)o1 763399929 ACTBKAMPEUORJK-CYBMUJFWSA-N 434.408 4.455 5 20 IIBD CC[C@@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1)C(OC)OC 763785952 RZYHNMJOQBINQS-CQSZACIVSA-N 438.864 4.176 5 20 IIBD O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc([N+](=O)[O-])c(Cl)c1 764197260 HXZCLSJSBHZKFM-UHFFFAOYSA-N 429.782 4.356 5 20 IIBD CC(=O)O[C@H]1CCCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 765073718 GEAVDMMXCVBBKJ-KRWDZBQOSA-N 431.876 4.028 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OC[C@H]1CCCN(C(=O)c2ccc(C)o2)C1 765605761 YNSNVKKYFJYANR-OALUTQOASA-N 428.485 4.161 5 20 IIBD COc1cc(COC(=O)c2csc(COc3ccc(F)cc3)n2)c([N+](=O)[O-])cc1F 766172648 QKCZVQHRALJOSL-UHFFFAOYSA-N 436.392 4.274 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F 767383305 ZLJSUTZBXJNPBN-MRXNPFEDSA-N 430.745 4.157 5 20 IIBD CN(C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)[C@H]1CCCCNC1=O 767945800 CAMGKZHLALCQGL-KRWDZBQOSA-N 433.917 4.140 5 20 IIBD Cc1cc2c(N3CCC[C@@H]3C(=O)Nc3cc([N+](=O)[O-])c(Cl)cc3C)ncnc2s1 770558903 PLEJNSKJEDOOCY-OAHLLOKOSA-N 431.905 4.477 5 20 IIBD COc1ccc([C@@H](OC)[C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 772459828 JOMLUCBPZQDCBX-AOMKIAJQSA-N 427.501 4.100 5 20 IIBD CC(C)NC(=O)Nc1ccc(C(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])cc1 776137957 PBJGSLXDBKCXFX-NRFANRHFSA-N 434.452 4.466 5 20 IIBD CSc1cccc(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1[N+](=O)[O-] 777077569 VRKWLAFYFYKZNS-SECBINFHSA-N 439.833 4.062 5 20 IIBD O=C(Nc1ccc(OCc2cn3ccccc3n2)cc1)c1cc([N+](=O)[O-])c2nsnc2c1 778266280 YBKKQTVLOGLBIX-UHFFFAOYSA-N 446.448 4.079 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](CNC(=O)OC(C)(C)C)C[C@H]1C 779993377 GIBAESQDVWGGJE-CABCVRRESA-N 437.562 4.472 5 20 IIBD COc1ccc(OC(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 780313557 PWXLRQQIVLUUCM-OAQYLSRUSA-N 436.420 4.177 5 20 IIBD C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCOC1 781029665 RPLFBFOKHCNMMM-ZIAGYGMSSA-N 431.876 4.045 5 20 IIBD O=C(CCN1CCC2(CC1)CCN(Cc1ccccc1)C2)Nc1cc([N+](=O)[O-])ccc1F 782524940 QJAYEWKJWMLWSV-UHFFFAOYSA-N 440.519 4.051 5 20 IIBD COCCOC(=O)Nc1cccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1 783927867 FJSIDIVNFJTDGJ-UHFFFAOYSA-N 439.877 4.174 5 20 IIBD O=C1OCCCN1c1ccccc1-c1noc(-c2ccc([N+](=O)[O-])cc2Br)n1 784235790 UYBSXNXBHMDZNF-UHFFFAOYSA-N 445.229 4.421 5 20 IIBD CC[C@@H](C)[C@@H](C)N(C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br)C1CC1 784560595 MZRRSCSWHONFKV-ZYHUDNBSSA-N 426.311 4.030 5 20 IIBD C[C@H](OC(=O)c1cc(O)ccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 785866058 AYRUTJYIDRZMHZ-QMMMGPOBSA-N 432.738 4.157 5 20 IIBD C[C@@H](CC(=O)N(C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1c[nH]c2ccccc12 786318210 WOJCPFNADLCVCK-LBPRGKRZSA-N 435.889 4.070 5 20 IIBD COc1ccc2cc(CN(C)C(=O)COC(=O)c3cc([N+](=O)[O-])cc(C)c3F)ccc2c1 787941180 XPXIKDGJBCNDRX-UHFFFAOYSA-N 440.427 4.020 5 20 IIBD Cc1cnc(COC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)c(C)c1[N+](=O)[O-] 789444987 BGGDVFWLQSZKHT-UHFFFAOYSA-N 438.337 4.307 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2C(=O)OCc2ccccc2)cc1SC 791961913 REEXNUVGBGIZNS-QGZVFWFLSA-N 444.509 4.063 5 20 IIBD CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)cn1 792296072 SFUNWXRFNIHEOE-HXUWFJFHSA-N 443.891 4.232 5 20 IIBD Cc1cc(F)cc(C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)c1[N+](=O)[O-] 794807899 PTOBYIVMBDCKMH-UHFFFAOYSA-N 445.447 4.424 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 794907829 CBUGRJXSKPUAND-UHFFFAOYSA-N 445.324 4.114 5 20 IIBD CCOC(=O)/C(=C/c1ccc2ccc(Br)cc2n1)c1ccc([N+](=O)[O-])cn1 794948135 CUUIYCMBESREFS-MHWRWJLKSA-N 428.242 4.404 5 20 IIBD CC(C)(C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1Br 798730467 SPBJFZXALPYPGK-UHFFFAOYSA-N 436.258 4.245 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1ccccc1-c1ccc(Cn2cccn2)cc1 801871078 MMEQDONVVBCVGQ-UHFFFAOYSA-N 445.454 4.158 5 20 IIBD C[C@@H](OC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)c1ccc(C(C)(C)C)cc1 801922983 VQXFWPFDCWXALI-CYBMUJFWSA-N 446.887 4.090 5 20 IIBD O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc(-c3ccc(Oc4ncccn4)cc3)no2)c1 809276161 BJKOWPRDCGXVFP-UHFFFAOYSA-N 430.424 4.494 5 20 IIBD Cc1nn(CCC(=O)Oc2cc(Br)cc(C(F)(F)F)c2)c(C)c1[N+](=O)[O-] 809324076 HGWYZQXSWALRJD-UHFFFAOYSA-N 436.184 4.185 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3Cl)C[C@@H]21 809919483 LDAMPKQTLMUEDW-MELADBBJSA-N 438.912 4.405 5 20 IIBD C[C@@H](NC(=O)CC1CCCCC1)C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811218276 SWUOCGYOUSVXJQ-CQSZACIVSA-N 431.514 4.237 5 20 IIBD CC(=O)c1cc(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cs1 815063310 ZKILMEQUTGWBJW-QGZVFWFLSA-N 430.482 4.101 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 815512546 ZRGDBIADRMLZGZ-NSHDSACASA-N 426.347 4.115 5 20 IIBD CCN1C(=O)N[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C(=O)Nc2ccc(F)cc2)=C1C 916165610 SRDSXNSNQLVDPJ-GOSISDBHSA-N 432.839 4.386 5 20 IIBD Cc1noc(CCCC(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)n1 916951906 LULLVVIRXYVCDF-UHFFFAOYSA-N 444.831 4.120 5 20 IIBD C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(Oc2ccc(F)cc2F)CC1 917133709 SZOLZRVUGXQAME-LBPRGKRZSA-N 439.846 4.397 5 20 IIBD COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1OCc1cccnc1 918091553 XOWGCUMEZCMZLR-UHFFFAOYSA-N 448.479 4.430 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N(CCc1ccccc1)Cc1ccccc1 918288850 GNXINWXKJXRNOQ-UHFFFAOYSA-N 437.883 4.458 5 20 IIBD Cc1ccc(OC(=O)CCC(=O)c2ccc(I)cc2)c([N+](=O)[O-])c1 918706584 XEPKNLFNDFVEHZ-UHFFFAOYSA-N 439.205 4.076 5 20 IIBD Cc1ccsc1CNC(=O)COC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 918967780 UNBGBSADRPDFTJ-UHFFFAOYSA-N 439.493 4.050 5 20 IIBD Cc1c(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 919225355 BHVWCFKRXRUNKX-JTQLQIEISA-N 441.318 4.014 5 20 IIBD Cn1cc(C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 920552517 WNTUZFDJNJYUKA-UHFFFAOYSA-N 449.250 4.098 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(C(=O)c2ccccc2)C1 1116468546 KGAVQPRZAWSOHA-KRWDZBQOSA-N 427.526 4.130 5 20 IIBD COc1ccccc1-c1nnc(COC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])o1 1320339114 JSDNHZJVIKLENW-UHFFFAOYSA-N 435.845 4.142 5 20 IIBD Nc1c(-c2nnc(-c3nc(-c4ccccc4)n(-c4ccccc4)n3)o2)cccc1[N+](=O)[O-] 1322151624 SDUMCQVWKSEPFE-UHFFFAOYSA-N 425.408 4.142 5 20 IIBD O=C1C[C@@H](c2nnc(-c3cccc([N+](=O)[O-])c3)o2)CN1Cc1cccc(C(F)(F)F)c1 1322282987 GEIHWNODTJKWMI-CQSZACIVSA-N 432.358 4.180 5 20 IIBD Cc1nn(C)c2nc(-c3ccccc3)cc(-c3nnc(COc4ccccc4[N+](=O)[O-])o3)c12 1323961578 BXMGWBNKBNPOFP-UHFFFAOYSA-N 442.435 4.481 5 20 IIBD COc1cccc(-c2noc([C@@H](C)NCc3ccc([N+](=O)[O-])cc3Br)n2)c1 1324150514 JUCHXSBCQDVFBV-LLVKDONJSA-N 433.262 4.267 5 20 IIBD CC(C)(c1nnc(CCCOc2ccc(Cl)cc2Cl)o1)n1cc([N+](=O)[O-])cn1 1345691789 CAGYPZOOKZYUMT-UHFFFAOYSA-N 426.260 4.276 5 20 IIBD Cc1ocnc1C(=O)NC1(c2ccc(NC(=O)CCc3cccc([N+](=O)[O-])c3)cc2)CCC1 1786602340 JBJWRXFMMCYVIO-UHFFFAOYSA-N 448.479 4.272 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@@H]3CC3(F)F)cc2)CCC1)c1ccc([N+](=O)[O-])cc1F 1789136794 NDTHAOWSCAVSIM-INIZCTEOSA-N 433.386 4.137 5 20 IIBD C[C@@H]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1828478135 CSXQHFFZCDQWCM-LEOXJPRUSA-N 441.572 4.193 5 20 IIBD O=C(C1CCC1)N1CCC([C@@H]2CCCCN2C(=O)CSc2ccccc2[N+](=O)[O-])CC1 1831775504 AAVSUTRKSCEPCA-IBGZPJMESA-N 445.585 4.107 5 20 IIBD Cc1cccc(Cl)c1C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 1847058596 NYFRPQVTQISUOV-ZHACJKMWSA-N 439.899 4.087 5 20 IIBD Cc1ccc(C)c(NC(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 3607309 WBOAZDVGLPTGKI-UHFFFAOYSA-N 426.450 4.232 5 20 IIBD Cc1onc(-c2ccccc2)c1C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 15033802 JTUBEVHFUONNRW-UHFFFAOYSA-N 434.374 4.419 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 18519538 DMPLZALMTVERIL-VIFPVBQESA-N 446.765 4.460 5 20 IIBD CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 22067190 JZGZZGCOLRCXPN-UHFFFAOYSA-N 430.873 4.260 5 20 IIBD C[C@@H](OC(=O)COc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1Cc1ccccc1 22095624 WEAVCXBIRIIVCY-QGZVFWFLSA-N 434.448 4.135 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc(COc3ccc(F)cc3)o2)cccc1[N+](=O)[O-] 23303643 ZZLYQFZOFBGIFW-AWEZNQCLSA-N 442.399 4.398 5 20 IIBD CC(=O)NCc1ccc(-c2nc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)sc2C)s1 30158111 LMYWHWCAFACGCI-UHFFFAOYSA-N 430.511 4.285 5 20 IIBD COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2I)cc1Cl 31677191 RDYDRDAYZFVXFF-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD COC(=O)c1cc(C(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc([N+](=O)[O-])c1 46758741 FPGUVOTWMQROJL-OAHLLOKOSA-N 447.447 4.125 5 20 IIBD Cc1nn(-c2ccc(C(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)cc2)c(C)c1Cl 57568430 QHJSZZBWOHZCGY-UHFFFAOYSA-N 439.903 4.013 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)c1 58446219 CLOBGDQEFWLTCY-UHFFFAOYSA-N 448.932 4.268 5 20 IIBD O=c1[nH]cnc2cc(NCC3(c4cccc(Br)c4)CCC3)c([N+](=O)[O-])cc12 60452480 USPMAYJOHOZYGN-UHFFFAOYSA-N 429.274 4.128 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](c1ccc2c(c1)CCCC2)c1cccs1 61996409 BSRJDIMMDQNJFV-OAQYLSRUSA-N 435.505 4.379 5 20 IIBD COC(=O)CCOc1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 64465452 CSGDDHYTKMSKTG-UHFFFAOYSA-N 441.484 4.025 5 20 IIBD Cc1cc(NC(=O)CCNC(=O)c2ccc3ccccc3c2)n(-c2ccc([N+](=O)[O-])cc2)n1 105859981 IDEGGTXCJTWRRM-UHFFFAOYSA-N 443.463 4.001 5 20 IIBD COc1cccc(CO[C@H](C)C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)c1 107799343 NBRWJAKSYMIMNT-CQSZACIVSA-N 426.391 4.100 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c([N+](=O)[O-])cc1OC 107963518 HIKNDHRMIIJKPD-OKILXGFUSA-N 447.463 4.007 5 20 IIBD COc1cc(C(=O)NCC2CCN(C)CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 116590786 QVFUGERZUUKGOJ-UHFFFAOYSA-N 433.892 4.121 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1 301125486 VVTIASGWPKRWEI-UHFFFAOYSA-N 445.504 4.229 5 20 IIBD O=c1c(Cl)c(NC[C@@H](O)c2ccc3ccccc3c2)cnn1-c1ccc([N+](=O)[O-])cc1 301185043 SYNPRZWRAYCKEA-HXUWFJFHSA-N 436.855 4.093 5 20 IIBD C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1c1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl 301322759 IJGBQPNNGWYLFF-UKRRQHHQSA-N 428.851 4.316 5 20 IIBD CC[C@](C)(O)CN(Cc1ccccc1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 426280912 VZXNENPSRGUELS-FQEVSTJZSA-N 439.434 4.486 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N(Cc1cccs1)C[C@@H]1CCCO1 426983175 NCYXTWMQHLPUEK-HNNXBMFYSA-N 425.304 4.240 5 20 IIBD C[C@@H]1CN(Cc2ccccc2NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H](C)O1 430024593 GJSYQJMFKNHVQU-ZIAGYGMSSA-N 448.317 4.219 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 430404347 RANBKXIYTAENGI-KRWDZBQOSA-N 425.485 4.244 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N[C@@H]2C[C@H]2c2cccc3ccccc23)cc1[N+](=O)[O-] 431147176 CBISTXRQMFRNHS-RBUKOAKNSA-N 445.504 4.314 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H](Cc1cccc2ccccc12)C(=O)O 431534698 YBXTXBHWXJFSQS-QGZVFWFLSA-N 426.856 4.004 5 20 IIBD CCN([C@H](c1cccnc1)c1ccc(F)c(C)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F 431926523 RRIXHMNQMMTFBP-NRFANRHFSA-N 447.463 4.377 5 20 IIBD CCc1c(NC(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)nnn1Cc1ccc(F)cc1 433991612 FGRNCQMCVGILPU-KRWDZBQOSA-N 425.464 4.144 5 20 IIBD Cc1ncsc1CN(C)C[C@@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 434509740 JPUFHOBLFGXEOG-KRWDZBQOSA-N 441.557 4.011 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1nc(-c2ccncc2)no1 436360474 LRZPSNXEKRELTJ-OAQYLSRUSA-N 439.475 4.253 5 20 IIBD CC(C)(C)CCc1noc(-c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2O)n1 436686033 FLDDNRSHUYCUQH-UHFFFAOYSA-N 446.485 4.130 5 20 IIBD O=C(Nc1ccc(Cl)c(C(=O)NCc2ccccc2F)c1)c1ccc([N+](=O)[O-])cc1O 436971593 KFOJHUPIMBXKMJ-UHFFFAOYSA-N 443.818 4.275 5 20 IIBD CCOCCCNC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 437162862 DELDVPYGZAPNLO-UHFFFAOYSA-N 439.390 4.022 5 20 IIBD COc1cc(-c2noc(CSCc3cc([N+](=O)[O-])cc4c3OCOC4)n2)ccc1C 441401966 CNCWGXRELJJEBB-UHFFFAOYSA-N 429.454 4.262 5 20 IIBD COCc1nc2cc(NC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)ccc2o1 444178753 BMGILZPLVGJRGP-UHFFFAOYSA-N 435.386 4.499 5 20 IIBD C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444234035 GCPRTRGDFLCKNC-GFCCVEGCSA-N 438.405 4.490 5 20 IIBD CC(=O)N1CC[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c2ccccc21 444257660 QHNPANDGOQMJTM-OAQYLSRUSA-N 447.441 4.187 5 20 IIBD COc1ccc([C@@H](C)NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1Br 445502610 IGVWIOCHSZYJDG-GFCCVEGCSA-N 434.290 4.195 5 20 IIBD Cc1cccc([C@@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c1 447018989 VRAZMHROVYSUFN-INIZCTEOSA-N 425.304 4.192 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-c3noc(C(F)(F)F)n3)c2)c(Cl)c1 447278916 PSYQSCYXVRMHOL-UHFFFAOYSA-N 448.766 4.118 5 20 IIBD CC(C)[C@H]1C[C@@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c2ccccc21 448407390 OGGFUBPSDKVFKG-HZPDHXFCSA-N 433.411 4.136 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)cc2[N+](=O)[O-])C1 461320337 SFZBLEVFQAWFSN-YVCBRDFCSA-N 427.545 4.251 5 20 IIBD CNC(=O)Cn1ccc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)cc21 461854509 PYRJSQBCHXVOND-UHFFFAOYSA-N 444.447 4.340 5 20 IIBD NC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccc(F)cc1 464344255 TZJVOHSQDBBSAX-IBGZPJMESA-N 443.818 4.136 5 20 IIBD C[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)Oc1ccc(Br)cc1 464628182 NKLGMKCQTBDKBS-GFCCVEGCSA-N 425.304 4.033 5 20 IIBD O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCC[C@H](Cc2csc3ccccc23)C1 466726790 FAQFAFNTJJZKNN-MRXNPFEDSA-N 447.520 4.485 5 20 IIBD Cc1sc(S(=O)(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1[N+](=O)[O-] 467413192 WCWKRPZWUWBUFJ-ZDUSSCGKSA-N 445.522 4.257 5 20 IIBD COCCN(C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[C@H]1CCCSC1 468595232 DFWHQHHMFUXCGW-IBGZPJMESA-N 429.542 4.191 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CC[C@@]3(C2)OCc2ccccc23)cc1[N+](=O)[O-])c1ccccn1 471597826 RGPDLEABWZSMQD-GKVSMKOHSA-N 444.491 4.435 5 20 IIBD CCOc1cc(NC(=O)[C@@H]2C[C@@H]2c2cc(OC)ccc2OC)c([N+](=O)[O-])cc1OCC 472812207 RLNMRSOQAZMPGI-GDBMZVCRSA-N 430.457 4.152 5 20 IIBD COc1ccc(-c2csc(CNC(=O)c3cc(OC)c(OC)cc3[N+](=O)[O-])c2)cc1 473465467 YZTCFCPHEPJDRD-UHFFFAOYSA-N 428.466 4.279 5 20 IIBD COc1ccc(C[C@H](C)CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1OC 476231227 LRRIWOJIEAXALF-INIZCTEOSA-N 427.501 4.165 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)cn2)C[C@H](C)O1 477170245 ULCHUWUXSYGQIN-GJZGRUSLSA-N 446.482 4.081 5 20 IIBD CCOc1cc(N2CCN(C(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)CC2)ccc1[N+](=O)[O-] 477380433 XYSOWRBWXOXCFQ-CABCVRRESA-N 429.439 4.011 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(OC(F)F)c3cccnc23)cc([N+](=O)[O-])c1 479266210 MBGISDLWOIEMFD-UHFFFAOYSA-N 431.351 4.173 5 20 IIBD O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1ccc(Br)cc1[N+](=O)[O-] 479774878 GLPZKJXLQHBNFQ-INIZCTEOSA-N 431.246 4.337 5 20 IIBD COc1cc(/C=C/c2nc(O)c3cc(Br)sc3n2)c([N+](=O)[O-])cc1OC 480038394 MIYWAWGOKXPVTF-ONEGZZNKSA-N 438.259 4.255 5 20 IIBD CCCN(C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)C1CCN(C(=O)c2ccccc2)CC1 480043219 RTNSECHKFMFNBU-UHFFFAOYSA-N 439.512 4.069 5 20 IIBD COc1cccc(C(NC(=O)CCOc2ccccc2[N+](=O)[O-])c2cccc(OC)c2)c1 481220763 LNQNIUYVCJCVHI-UHFFFAOYSA-N 436.464 4.287 5 20 IIBD CSc1ccc(C(=O)NCCCOC2CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-] 482426545 MPCPQMYFNYCACM-UHFFFAOYSA-N 443.569 4.118 5 20 IIBD CCn1c([C@@H](C)NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])nc2ccccc21 484862638 HVABLNVXUYCUBT-GFCCVEGCSA-N 436.390 4.397 5 20 IIBD CSc1cccc(C(=O)NCc2ccc(OCCOc3ccccc3)nc2)c1[N+](=O)[O-] 485743373 QYUUEPPSLHBOKM-UHFFFAOYSA-N 439.493 4.100 5 20 IIBD COC(=O)c1cc(NS(=O)(=O)c2c(Cl)ccc(C)c2Cl)c(C)c([N+](=O)[O-])c1 485995624 GZHDAKLPVCSMOQ-UHFFFAOYSA-N 433.269 4.106 5 20 IIBD COc1ccc(/C=C\c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)cc1O 486058791 BKUKQYOYVWNANP-CLTKARDFSA-N 432.230 4.216 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)C(=O)N1CCCC[C@@H]1C 486132742 INZROOLIBXVMMJ-HOTGVXAUSA-N 427.526 4.265 5 20 IIBD CCOc1ccc(NC(=O)c2cc(OCC)c(OC)cc2[N+](=O)[O-])cc1Br 490493527 RLWRLVNTKREEBL-UHFFFAOYSA-N 439.262 4.416 5 20 IIBD COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] 490796502 MIHWNLYJLZAGQP-HNNXBMFYSA-N 444.818 4.318 5 20 IIBD O=C(N[C@@H](Cc1ccccc1)c1cccs1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 495234893 XODMVFLEIQWVCU-SFHVURJKSA-N 425.514 4.183 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 498474690 QHJXUCHXTODSGJ-SFHVURJKSA-N 435.402 4.016 5 20 IIBD CCOc1cc(C(=O)NCc2cccc(OC)c2OC2CCCC2)c([N+](=O)[O-])cc1OC 499230742 GRYKRMJWWTVPFK-UHFFFAOYSA-N 444.484 4.262 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc(Oc2ccccc2C(F)(F)F)cc1 499450808 FKMQJOLLAVPHSO-UHFFFAOYSA-N 433.342 4.206 5 20 IIBD CC(C)N(Cc1ccc(-c2cccc(F)c2)s1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O 499459188 STIXAJBAFNEMTN-UHFFFAOYSA-N 429.473 4.061 5 20 IIBD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)ccc21 500142434 OPQRHZBKGKUHRJ-UHFFFAOYSA-N 433.468 4.152 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CC2(CCCC2)c2c(F)cccc21 501819257 DLKZEDMIZIDLAF-UHFFFAOYSA-N 439.443 4.281 5 20 IIBD Cc1c(NC(=O)CCNC(C)(C)COc2ccc(C(F)(F)F)cn2)cccc1[N+](=O)[O-] 502234758 UKVCASRFKRJXPN-UHFFFAOYSA-N 440.422 4.093 5 20 IIBD COc1cc(C(=O)N(C)Cc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC(F)F 502746965 LTJRAJCWHLAKEV-UHFFFAOYSA-N 434.317 4.496 5 20 IIBD CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 504912439 WHELZUYDQALPTQ-DOTOQJQBSA-N 437.587 4.067 5 20 IIBD CCOCCC1(CNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CC1 505525116 ZRGYAFRCMVZUIU-UHFFFAOYSA-N 427.288 4.024 5 20 IIBD Cc1sc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)nc1-c1ccc(Cl)cc1 507881142 ZLHRGXUNUZKNQR-UHFFFAOYSA-N 427.873 4.486 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c1 511255997 CEBCXRWWZYZKBM-FPOVZHCZSA-N 425.529 4.089 5 20 IIBD Cc1cc(Br)cnc1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 511266539 MHIXBVATTGJKLU-UHFFFAOYSA-N 429.068 4.384 5 20 IIBD C[C@@H]1C[C@@H](CCNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 513494815 JXZUXGDJXVEZOB-TZIWHRDSSA-N 433.556 4.386 5 20 IIBD CCC[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1C)C(=O)Nc1cccc(N2CCCC2)c1 513956879 LQBIYROAQCOHTH-HXUWFJFHSA-N 439.516 4.432 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(Cc1cccc(F)c1)C1CCCC1 515148216 JDNOSRGBWCZBDI-UHFFFAOYSA-N 447.894 4.017 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 516025987 LJBXEADXHCLCDR-MRXNPFEDSA-N 438.267 4.212 5 20 IIBD Cc1ccc(C)c(OCc2nnc(S[C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)o2)c1 517554718 CSOKRRRURBSZCP-GOSISDBHSA-N 440.481 4.071 5 20 IIBD C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)CNc2ccccc2[N+](=O)[O-])cc1Cl 521597616 IEWQKOKQPFNHLE-CQSZACIVSA-N 430.892 4.313 5 20 IIBD C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 521977499 KIVYZXCUFOWEII-ZDUSSCGKSA-N 432.402 4.375 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(Nc2cccc(-c3nccc(C)n3)c2)c([N+](=O)[O-])c1 522403649 DBNDKPIWQZQYMX-UHFFFAOYSA-N 441.513 4.134 5 20 IIBD CCCN(Cc1ccc(F)cc1)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 522474963 AYZVHCMFKVAPPQ-OAQYLSRUSA-N 427.476 4.086 5 20 IIBD O=C(c1ccc(I)cc1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 524652278 KGRDOPRXRDJQQA-INIZCTEOSA-N 440.262 4.087 5 20 IIBD COc1ccc(CNC(=O)N(C)CC2(c3ccc(Br)cc3)CC2)cc1[N+](=O)[O-] 524976083 XWFUVPOSBNXEGK-UHFFFAOYSA-N 448.317 4.239 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)c1ccc(Br)cc1[N+](=O)[O-] 531188310 WERAIKYJRCUZBE-UONOGXRCSA-N 440.091 4.406 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)N(c1ccccc1)c1ncccc1Br 533674516 VWNFUPUPFQOLAC-UHFFFAOYSA-N 428.242 4.496 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2cncc(C)c2)c([N+](=O)[O-])c1 534796769 SGDZNJQETQVUFZ-UHFFFAOYSA-N 426.498 4.126 5 20 IIBD O=C(NC1CCC(F)(F)CC1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 535648946 YGFRSAZQNRQMBI-UHFFFAOYSA-N 436.381 4.023 5 20 IIBD COc1ccc(CCC(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cc1OC 538251506 MGASLVATAHGNMB-UHFFFAOYSA-N 427.482 4.331 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC=C(c2ccc3c(c2)OCCO3)CC1 539963094 BBWWTCVMYFGSHM-CQSZACIVSA-N 444.871 4.103 5 20 IIBD CCOc1ccc(NC(=O)CN[C@H](C)c2nc(-c3ccccc3)cs2)c([N+](=O)[O-])c1 541660499 MWEQQYODMPOZKN-CQSZACIVSA-N 426.498 4.406 5 20 IIBD Cc1oc(C(N)=O)cc1-c1csc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)n1 543646835 PJOLAQARJBMGGJ-UHFFFAOYSA-N 446.510 4.471 5 20 IIBD COCc1nc(OC)c2c(C)c(-c3nc(-c4ccc(C)c([N+](=O)[O-])c4)no3)sc2n1 545572414 PTGWCCJBENGDIS-UHFFFAOYSA-N 427.442 4.088 5 20 IIBD Cc1nc2ccccc2n1Cc1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 545740843 XBBYKCOVCCSIFU-UHFFFAOYSA-N 428.246 4.038 5 20 IIBD COc1cc(Cc2noc([C@H]3CC(=O)N(c4cccc5ccccc45)C3)n2)ccc1[N+](=O)[O-] 545774253 CVXMLEBESMHKLX-KRWDZBQOSA-N 444.447 4.251 5 20 IIBD COc1ccc2c(c1)C=C(c1nc(Cc3ccc([N+](=O)[O-])cc3Br)no1)CO2 546447303 APPWDPYSQILDEI-UHFFFAOYSA-N 444.241 4.273 5 20 IIBD CC1CCN(c2ccc(-c3nc(-c4ccc(C(=O)N(C)C)cc4)no3)cc2[N+](=O)[O-])CC1 547028580 ACIWAOHJXDCLQX-UHFFFAOYSA-N 435.484 4.250 5 20 IIBD COc1cc(OCc2nc(Cc3ccc(OCc4ccncc4)cc3)no2)ccc1[N+](=O)[O-] 547032824 OSMZZDFLBGJHQD-UHFFFAOYSA-N 448.435 4.130 5 20 IIBD CN(C(=O)c1ccncc1)c1ccc(-c2noc(/C=C/c3ccc([N+](=O)[O-])cc3)n2)cc1 547133271 MPEVHXYAJBTTSB-NYYWCZLTSA-N 427.420 4.487 5 20 IIBD Cn1ccc([C@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])c2ccc(Cl)cc2)n1 547285870 JOVXCXQSYISRTG-HXUWFJFHSA-N 425.876 4.075 5 20 IIBD Cn1ccnc1[C@@H](NCCc1cc(Br)ccc1F)c1cccc([N+](=O)[O-])c1 552252426 NAEVDALHGKMALA-SFHVURJKSA-N 433.281 4.152 5 20 IIBD CCOc1ccc(CN(CCCn2ccnc2)c2ncnc3sc([N+](=O)[O-])cc23)cc1 553481173 JPULYTWKXJQSJP-UHFFFAOYSA-N 438.513 4.292 5 20 IIBD COC(=O)C(C)(C)N(Cc1ccccc1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 555514216 LSAFSHARAFIJGE-UHFFFAOYSA-N 442.515 4.135 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)NCCc2csc3ccccc23)cc1[N+](=O)[O-] 556505886 QEHVMIQJNLBDTD-UHFFFAOYSA-N 425.510 4.404 5 20 IIBD Cc1ccc(OCCCCNC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 556520826 OUBHZWYOGZSFGX-UHFFFAOYSA-N 427.501 4.115 5 20 IIBD Cc1c(C(=O)N(C)[C@H](C)Cc2ccccc2C(F)(F)F)nnn1-c1cccc([N+](=O)[O-])c1 558018399 CKYPDMRIFUYLTB-CYBMUJFWSA-N 447.417 4.206 5 20 IIBD CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](c2ccc(F)cc2)C1 559044470 ZGMMHHOSYALIPR-IBGZPJMESA-N 439.491 4.413 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(Br)cc1C(F)(F)F 568657098 GWOHAANNBFEJPF-UHFFFAOYSA-N 449.179 4.402 5 20 IIBD O=C(CN[C@@H](c1cncc(Br)c1)C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] 570417675 RKEZNGVLAZSJHB-QGZVFWFLSA-N 439.697 4.085 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)C1(c2ccc(Br)cc2)CCOCC1 572623715 VOHLOHJZRMHDMU-UHFFFAOYSA-N 447.329 4.107 5 20 IIBD CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)c1ccc(CC)c([N+](=O)[O-])c1 576044642 AZZOKSPRAXKBLF-FQEVSTJZSA-N 436.512 4.010 5 20 IIBD O=[N+]([O-])c1cnc(N2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)c(Br)c1 577139235 MZGNKJHLHDOVMF-AWEZNQCLSA-N 448.195 4.229 5 20 IIBD C[C@@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 578780956 RUNSTBZXHGGCBO-NSHDSACASA-N 439.287 4.485 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@H](CCC(C)C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 578790866 IJCHAUJWPZWGOW-QGZVFWFLSA-N 433.892 4.489 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCCC[C@@H]2c2nnc(C3CCC3)o2)c(C)c([N+](=O)[O-])c1 583895924 FHRQRPVWNDOGCG-MRXNPFEDSA-N 443.460 4.099 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 589063225 JCYOWROXRKXMAR-KBRIMQKVSA-N 432.502 4.064 5 20 IIBD COC(=O)c1nc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])sc1C(C)C 589122618 DQPAGFQSAWZUKP-VIFPVBQESA-N 427.866 4.021 5 20 IIBD Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 603757717 AUYFTESOCQRDDU-UHFFFAOYSA-N 437.374 4.445 5 20 IIBD COc1ccc(NC(=O)CNc2ccccc2C(=O)N(C)C2CCCCC2)c([N+](=O)[O-])c1 604010636 JKXTVFSJNNIZEQ-UHFFFAOYSA-N 440.500 4.059 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604028683 FTZUTWASBNWSDX-URLYPYJESA-N 434.358 4.091 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N(CCc2ccccc2)CC(C)C)ccc1[N+](=O)[O-] 608803921 DZZRQOPXANQGHD-QHCPKHFHSA-N 437.540 4.235 5 20 IIBD COc1ccc(CCN(Cc2ccccc2)S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 608913304 SNRCWXWJPOEZKM-UHFFFAOYSA-N 444.484 4.176 5 20 IIBD COC(=O)c1occc1CN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@H](C)c1ccccn1 608960381 GJDMXVFTORFMGV-CQSZACIVSA-N 448.435 4.254 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)CCCC(=O)OC(C)(C)C)cc2[N+](=O)[O-])C1 608970676 FVGHFWULNLNEQM-CALCHBBNSA-N 433.549 4.271 5 20 IIBD CC(C)c1ccc(C(C)(C)NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1 609189219 LTSFEKNVDJOFPR-UHFFFAOYSA-N 425.485 4.458 5 20 IIBD COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(C(=O)O)cc2)cc1[N+](=O)[O-] 609295705 LRNBOQOXTXQSSN-NTUHNPAUSA-N 443.415 4.171 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccccc1CS(=O)(=O)c1ccccc1 609786312 CICVLUCPPDSJOP-UHFFFAOYSA-N 444.896 4.403 5 20 IIBD CCc1ccc(-c2csc(NC(=O)[C@H](CC)Nc3c([N+](=O)[O-])c(C)nn3C)n2)cc1 609841910 VEDZFFIVCSCTOD-HNNXBMFYSA-N 428.518 4.152 5 20 IIBD CSc1nc(-c2ccco2)nc(C)c1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 610047033 ZACZGJPHKDYUOA-UHFFFAOYSA-N 426.498 4.428 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(-n2cc(Br)cn2)cc1 610047090 GQMDBORAJSKVDX-UHFFFAOYSA-N 443.301 4.296 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2cn3cccnc3n2)cc1 611204752 DJZHRUVWMROUNH-UHFFFAOYSA-N 449.492 4.295 5 20 IIBD C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)c1nc(-c2ccc(Br)cc2)no1 612532187 ICENKYYELWGVOI-SNVBAGLBSA-N 444.245 4.399 5 20 IIBD COc1cc(OC)c(C2CCN(Cc3cc(OC)c(F)cc3[N+](=O)[O-])CC2)c(OC)c1 613285986 GSBOGSWYILFVHS-UHFFFAOYSA-N 434.464 4.148 5 20 IIBD COC(=O)c1ccc(NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])nn1 619606526 ONGDCWRJPAFZFR-UHFFFAOYSA-N 444.856 4.228 5 20 IIBD CCC[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1I 727796449 IERVQJYAXFESMQ-CQSZACIVSA-N 438.265 4.341 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cnc(-c2ccc3c(c2)OCO3)s1 728514607 GRMGWUQHZUGPMA-UHFFFAOYSA-N 431.857 4.373 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)[C@@H]2C[C@H]2c2cccc3ccccc23)c([N+](=O)[O-])c1 730873869 OGPVBCDZLLVUFD-VQTJNVASSA-N 434.448 4.432 5 20 IIBD O=[N+]([O-])c1ccc(NCCCc2nc(-c3ccc(-n4cnc5ccccc54)nc3)no2)cc1 731804286 VTSSRJZYFHUGLX-UHFFFAOYSA-N 441.451 4.423 5 20 IIBD CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc([N+](=O)[O-])ccc1Cl 734975035 KRDHQGWDYNLTNM-HXUWFJFHSA-N 443.887 4.156 5 20 IIBD C[C@H](OC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)C(=O)Nc1ccccc1C(F)(F)F 735353377 HQMOEBUHBRYTHH-JTQLQIEISA-N 449.341 4.051 5 20 IIBD C[C@@H](OC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1nc(C2CC2)no1 736862150 CLNGPIONSDZKEY-MRVPVSSYSA-N 438.227 4.266 5 20 IIBD COCCc1ccc(OC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cc1 737316052 COPUNEDIRBIJJH-UHFFFAOYSA-N 436.251 4.495 5 20 IIBD CN1C(=O)C[C@H](COC(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc(Cl)c1 737378868 DJXJLDDLANICGR-VLIAUNLRSA-N 434.901 4.103 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)[C@@](C)(O)c1cccc(C(F)(F)F)c1 741351711 SOKILUPSOVNXDM-IBGZPJMESA-N 427.375 4.352 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 742887790 QSQJAHTXNPXXLB-GFCCVEGCSA-N 429.429 4.162 5 20 IIBD Cc1ccc(N2CCC[C@H](SCCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)C2=O)cc1 742971969 VUJVMQBVXGMLGZ-FQEVSTJZSA-N 441.509 4.130 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@H]3C[C@]34CCCc3ccccc34)CC2)ccc1[N+](=O)[O-] 744175966 WXPKNYOWZWDIOP-BWKNWUBXSA-N 436.508 4.410 5 20 IIBD C[C@H]1CCc2c(sc3nc(CCC(=O)OCc4ccc([N+](=O)[O-])cc4F)nc(O)c23)C1 746938865 SMVQAUCXIAVOID-NSHDSACASA-N 445.472 4.245 5 20 IIBD Cc1c(CC(=O)O[C@H](C)C(=O)N(c2nccs2)C2CCCCC2)cccc1[N+](=O)[O-] 748476660 MCTROSWTDSWBQE-OAHLLOKOSA-N 431.514 4.200 5 20 IIBD C[C@H](C[C@H](O)c1cccs1)NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 752279044 RHMQEXRCRNGIBQ-SXGZJXTBSA-N 440.525 4.466 5 20 IIBD CCOC(=O)N1[C@H](C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC[C@H]1c1ccc(C)o1 752417304 WDEKWKSXRPNQBV-SZMVWBNQSA-N 429.473 4.344 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1c(F)ccc([N+](=O)[O-])c1F)c1ccc(Cl)cc1Cl 752567634 JREZNTKRUSMBAS-MRVPVSSYSA-N 433.194 4.214 5 20 IIBD COc1cc(C(=O)OCCC2OCCCO2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 754649552 NMJVCIANPCVYPX-UHFFFAOYSA-N 437.832 4.359 5 20 IIBD O=C(CN(Cc1ccccc1)C[C@@H](O)c1cccs1)Nc1ccc(Cl)cc1[N+](=O)[O-] 756057144 OMZONDKLAJENAX-LJQANCHMSA-N 445.928 4.484 5 20 IIBD O=C(Cc1csc(-c2cccc(F)c2)n1)O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 759935198 BHOLCMGTLNJHLH-IRXDYDNUSA-N 430.461 4.324 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(-c3nc(CCNC(=O)OC(C)(C)C)no3)cc2[N+](=O)[O-])C1 761583955 XIMSRHYOOHQSOI-HUUCEWRRSA-N 445.520 4.194 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CNC2(c3noc(C)n3)CCCCC2)c1=S 764974760 HEKLTTACQJWJLS-UHFFFAOYSA-N 443.533 4.107 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCC(O)(c3ccccc3Cl)CC2)cc1SC 765046135 JCFDPGDAYOHVMP-UHFFFAOYSA-N 436.917 4.103 5 20 IIBD C[C@H](c1ccccn1)N(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1ccc(N(C)C)cc1 766609041 YBAKJIFPBYDTKD-QGZVFWFLSA-N 444.495 4.200 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@H](C)C[C@@H](O)c3ccc(F)cc3)cc2[N+](=O)[O-])CC1 766726433 YYMFHAXMRNNOML-OPAMFIHVSA-N 429.492 4.212 5 20 IIBD CCCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCN(C(=O)OC(C)(C)C)CC1 768551528 JAFWEQXXLYMHEJ-UHFFFAOYSA-N 445.520 4.256 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Br)N1CCC(OCc2ccccc2F)CC1 769288198 OXGQQKHPQXNRIK-UHFFFAOYSA-N 437.265 4.318 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(Cc3cnc([C@@H]4CCCO4)s3)CC2)c(C(F)(F)F)c1 769315253 IZIJIJCIVKQMTD-KRWDZBQOSA-N 442.463 4.244 5 20 IIBD O=C(OCc1csc(-c2ccsc2)n1)c1cc(Br)ncc1[N+](=O)[O-] 769837542 BFWGULFLNVNYAO-UHFFFAOYSA-N 426.273 4.294 5 20 IIBD O=[N+]([O-])c1cccc(Br)c1OS(=O)(=O)c1c(Cl)cccc1Cl 769927906 WSNYEIAVHYZRHI-UHFFFAOYSA-N 427.059 4.432 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cc(Br)cc([N+](=O)[O-])c1 770505510 NAQFUVISSLZLPK-UHFFFAOYSA-N 432.133 4.119 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)c2nc(-c3cccc(F)c3)no2)cc1SC 772093010 UMAUKTHJUUFCNA-JTQLQIEISA-N 433.417 4.432 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@H](c1cc(F)cc(Br)c1)C1CC1 775959034 LTJNJZREEQHKFY-IBGZPJMESA-N 447.264 4.114 5 20 IIBD CC(C)NC(=O)Nc1ccc(C(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])cc1 776137958 PBJGSLXDBKCXFX-OAQYLSRUSA-N 434.452 4.466 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)c1F 776751813 GSQXBBTVYSMDRW-UHFFFAOYSA-N 428.401 4.046 5 20 IIBD COc1ccc(CN(C)C(=O)[C@H](OC(=O)c2cccc(SC)c2[N+](=O)[O-])C(C)C)cc1 777074629 WVSCRNRPJBFQFP-HXUWFJFHSA-N 446.525 4.165 5 20 IIBD C[C@H](OC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1cc2ccccc2o1 778171972 RBMNBYDAQCLRIE-STQMWFEESA-N 432.379 4.242 5 20 IIBD O=C(OCc1nc(-c2cccc(Cl)c2)no1)c1cc([N+](=O)[O-])ccc1OC(F)F 778892641 XJWYTNUPYSJKGX-UHFFFAOYSA-N 425.731 4.257 5 20 IIBD C[C@H](OC(=O)C(C)(C)N(C)C1CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 779122281 GVJMFSMPAHXAKC-LBPRGKRZSA-N 445.438 4.137 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(OCC2CCC(c3ccccc3)CC2)c([N+](=O)[O-])c1 780339947 UVOXLJNTFPYBHL-UHFFFAOYSA-N 434.470 4.259 5 20 IIBD C[C@](O)(CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1cccc(Cl)c1 781029112 LUVSRDDFCRTTRA-QHCPKHFHSA-N 442.849 4.250 5 20 IIBD CC(C)[C@@H](NC(=O)COC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccc(F)cc1 781266951 CZHIIUIOGQVPHP-XMMPIXPASA-N 446.478 4.491 5 20 IIBD COc1ccc(C(=O)c2ccccc2C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 781294636 AYIZIOPKSFPEGV-OAHLLOKOSA-N 448.431 4.018 5 20 IIBD COc1ccccc1[C@@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 781633015 NUSPKBHOOQKOAL-QHCPKHFHSA-N 435.436 4.350 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](O)c1cccc(OCc2ccccc2)c1 782072467 ZOZZKFONDJSWSZ-OAQYLSRUSA-N 437.452 4.038 5 20 IIBD CC1=C(C(=O)N(C)C)[C@H](c2ccc([N+](=O)[O-])s2)NC(=S)N1c1ccccc1Cl 782247998 KFBDYAFENMCPJG-INIZCTEOSA-N 436.946 4.108 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 783297994 GLIPPGOLWZPXGI-ZDUSSCGKSA-N 426.281 4.193 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 784378039 HVEUTMDBIBJUSN-HXUWFJFHSA-N 440.928 4.085 5 20 IIBD O=[N+]([O-])c1cc2c(O)ncnc2cc1N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 784642950 KUSBDOZTMHGVKO-UHFFFAOYSA-N 442.475 4.399 5 20 IIBD COC(=O)[C@@H]1CCC[C@@H](OC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 785947622 XYHYWFHJJSMXFH-ZMSDIMECSA-N 427.457 4.052 5 20 IIBD COc1cc(COC(=O)[C@H]2COc3cc(C)c(C)cc32)c([N+](=O)[O-])cc1OCC(F)F 786962280 PQRCPEOTPBNGHL-HNNXBMFYSA-N 437.395 4.084 5 20 IIBD CNc1c(C(=O)N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)cccc1[N+](=O)[O-] 787664273 JJQSMEBOALZIQO-UHFFFAOYSA-N 431.492 4.427 5 20 IIBD Cc1cn(-c2c(F)cccc2F)nc1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 787916174 ZCEUZOFVJCAATP-UHFFFAOYSA-N 437.200 4.382 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCc1cccc(NC(=O)C2CCCC2)c1 790540057 CXOHCGCHHNJPMJ-UHFFFAOYSA-N 433.867 4.375 5 20 IIBD CC(C)c1nn(C)c(Cl)c1C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791251347 VQMVBQRXXSLROC-UHFFFAOYSA-N 441.713 4.066 5 20 IIBD Cc1cccc(CCNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 792496873 XBLJQMTUPKQPFF-UHFFFAOYSA-N 438.871 4.176 5 20 IIBD CC(C)n1cnc(C(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)c1 798849224 XCMAMISHSPTFTK-UHFFFAOYSA-N 428.832 4.497 5 20 IIBD CCOc1ccc(S(=O)(=O)Nc2c(F)ccc([N+](=O)[O-])c2C)cc1Br 800052022 CVKXVLDZLXYKTI-UHFFFAOYSA-N 433.255 4.004 5 20 IIBD COc1ccc(-c2ccc(C)c(NC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2)cn1 801869311 AJAHNNUESQIQFF-UHFFFAOYSA-N 447.495 4.328 5 20 IIBD O=C(OCc1c(F)cc([N+](=O)[O-])cc1F)c1ccc(-c2noc(C(F)(F)F)n2)cc1 803342729 JZNANIKTLVTNJV-UHFFFAOYSA-N 429.257 4.299 5 20 IIBD C[C@@H](Cc1cncc2ccccc12)C(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 805681983 NIJYVMHVTGGDCI-ZDUSSCGKSA-N 427.844 4.157 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(Cl)c(SC(=O)N(C)C)c1 808116961 MQJJIHSQFXOEMF-UHFFFAOYSA-N 443.934 4.440 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Oc2ccc(-c3nncs3)cc2)c(Cl)cc1Cl 809841276 CYEVPPKHQLUUNU-UHFFFAOYSA-N 432.266 4.188 5 20 IIBD O=C(OCc1cc(I)cc([N+](=O)[O-])c1)[C@@H]1CCCC(F)(F)C1 811036693 IUJBQXQXYGDPRF-SNVBAGLBSA-N 425.169 4.068 5 20 IIBD CC(C)c1scnc1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 811264991 IJXFOAGJHPKWFW-VIFPVBQESA-N 431.392 4.378 5 20 IIBD CN([C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] 815032585 JZYHHBDHERYGLM-CXAGYDPISA-N 446.859 4.067 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Oc1cccc(Cl)c1[N+](=O)[O-] 815057396 QNUKVGHUYKOYQB-UHFFFAOYSA-N 427.605 4.231 5 20 IIBD O=C(COC(=O)C1(c2ccc(F)cc2)CCC1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 869863153 MCPZNZGIOQRROQ-UHFFFAOYSA-N 440.349 4.356 5 20 IIBD CC(=O)c1cccc(NC(=O)[C@H](OC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C(C)C)c1 877872482 GEDQSYSPPXLJSE-FOIQADDNSA-N 444.509 4.485 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1c1nc(-c2cccnc2Oc2ccccc2)no1 904456366 CVQLTJPBQXQLBL-INIZCTEOSA-N 447.407 4.402 5 20 IIBD C[C@@H](NC(=O)/C(=C\c1cccs1)n1nnnc1-c1ccccc1)c1cccc([N+](=O)[O-])c1 917701287 NOAKORNJTNGVDS-NPQOUYBPSA-N 446.492 4.185 5 20 IIBD Cc1cccc(Oc2ncccc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C 917760282 KAMHORZFBOKCKE-UHFFFAOYSA-N 444.425 4.108 5 20 IIBD Cc1cc(-c2noc([C@H](C)OC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)ccc1F 919227640 VKCWCCNZYGHGJC-NSHDSACASA-N 430.348 4.227 5 20 IIBD O=C1CCCc2cc(S(=O)(=O)Oc3ccc(-c4ccccc4)cc3[N+](=O)[O-])ccc2N1 920316552 BYLNUPNKPCFYLP-UHFFFAOYSA-N 438.461 4.304 5 20 IIBD CCOC(=O)c1c(NC(=O)COc2cc(Cl)ccc2[N+](=O)[O-])sc(C(C)=O)c1C 920992683 CZDSSEXUJOHZCP-UHFFFAOYSA-N 440.861 4.015 5 20 IIBD COc1cc(/C=C2/N=C(c3cccc(F)c3)OC2=O)c([N+](=O)[O-])cc1OCC(F)(F)F 921274327 JKFBZQQEJQZHKJ-AWNIVKPZSA-N 440.305 4.028 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](c1ccccc1)c1noc(CNc2ccccc2[N+](=O)[O-])n1 1321814317 JSAPUHIUDZINLP-SFHVURJKSA-N 425.445 4.204 5 20 IIBD C[C@H](Oc1cccc(Br)c1)c1nnc(-c2cc([N+](=O)[O-])cc3c2OCCO3)o1 1326151565 QZFWYERJRGIWIY-JTQLQIEISA-N 448.229 4.319 5 20 IIBD C[C@H]1C[C@@]1(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 1801207182 NBVDKNIFIMZYDP-KZDMQCJOSA-N 427.526 4.107 5 20 IIBD C[C@@H]1CCC[C@@H]1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])[nH]n1 1818959339 RWTSJUQUNKVQBD-QWQRMKEZSA-N 443.479 4.199 5 20 IIBD O=C([C@H]1CC=CCC1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830621283 LTMWUJQAZZJXJK-GHTZIAJQSA-N 443.519 4.324 5 20 IIBD O=C(COC(=O)c1occc1COc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl 12189336 MMMKLKWRJRDROG-UHFFFAOYSA-N 430.800 4.216 5 20 IIBD O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 15195850 JTMMZZCADUJUDG-UHFFFAOYSA-N 427.810 4.225 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1[N+](=O)[O-] 15743962 NMVPLIAHRNPOQH-UHFFFAOYSA-N 447.419 4.235 5 20 IIBD COC(=O)c1cc(C(=O)N(Cc2cccs2)Cc2ccccc2OC)cc([N+](=O)[O-])c1 16015061 SDKRHYWTVOOLPZ-UHFFFAOYSA-N 440.477 4.294 5 20 IIBD O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 16180722 OKOMPNWNWAZHDR-UHFFFAOYSA-N 433.399 4.037 5 20 IIBD COc1ccc2cc(CN(C)C(=O)COC(=O)c3ccc([N+](=O)[O-])cc3Cl)ccc2c1 18219522 PMIKCKHXOHURAL-UHFFFAOYSA-N 442.855 4.225 5 20 IIBD O=C(CN1CCCN(Cc2ccc(Cl)cc2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] 23008799 DBJDWKMNXQSMCF-UHFFFAOYSA-N 437.327 4.048 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)cc1[N+](=O)[O-] 25034652 MRTVIWRSRFCOTN-NRFANRHFSA-N 431.408 4.207 5 20 IIBD CCCOc1ccc(C(F)(F)F)cc1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 26781893 TYBCMWZXULQLSS-UHFFFAOYSA-N 441.362 4.182 5 20 IIBD Cc1csc(Sc2ccc(C(=O)OCC(=O)N[C@@H]3CCCC[C@H]3C)cc2[N+](=O)[O-])n1 28808038 XTFIGVYUJAKHRO-IUODEOHRSA-N 449.554 4.363 5 20 IIBD Cc1nc(-c2ccc(CNC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)s2)cs1 31220500 FPVMOVFEBAJVRB-UHFFFAOYSA-N 425.495 4.204 5 20 IIBD O=C(Nc1ccccc1NS(=O)(=O)c1ccccc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 64509987 YMCQYVDMQCLJOA-UHFFFAOYSA-N 436.449 4.129 5 20 IIBD Cc1cc(N2CCSCC2)ccc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 109594382 INFCGPIKRWPCJK-UHFFFAOYSA-N 441.962 4.219 5 20 IIBD CNS(=O)(=O)c1cccc([C@H](C)NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c1 237401114 ICUPLCILNXNJBP-AWEZNQCLSA-N 431.539 4.082 5 20 IIBD CCc1nc([C@@H](C)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])cs1 301243071 KKDMKCCBCWIUBB-CQSZACIVSA-N 438.575 4.352 5 20 IIBD O=C(c1cccc(Cl)c1Cl)N1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 301340966 FPOMBOBTMPHZOE-UHFFFAOYSA-N 446.237 4.465 5 20 IIBD COCCOC1CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 303632139 FXJSCKOJPNGLBN-UHFFFAOYSA-N 447.919 4.128 5 20 IIBD C[C@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1cccc(Cl)c1Cl 303671776 JYGJBJLFJSCJMW-NSHDSACASA-N 438.267 4.467 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)NCCc1c[nH]c2cccc(Br)c12 426833209 LFFUEVNRXVAZDE-UHFFFAOYSA-N 432.274 4.210 5 20 IIBD O=C(O)C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(Cl)cc1 431771203 VGICBKVLKIITDH-IBGZPJMESA-N 434.879 4.140 5 20 IIBD COc1ccccc1-c1noc(C2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)n1 433160407 HHZJBJRZEUDMEL-UHFFFAOYSA-N 435.440 4.174 5 20 IIBD O=C(Nc1ccccc1)C1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 435818223 OEUBYBBHUZNFHX-UHFFFAOYSA-N 425.488 4.172 5 20 IIBD Cc1nc(-c2ccc(NC(=O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)cc2)cs1 438652146 WTABKNBBSUWYHB-UHFFFAOYSA-N 438.509 4.402 5 20 IIBD Cc1cnn(-c2ccc(NS(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])cc2F)c1 438765610 OQTHPLLMNPXJFN-UHFFFAOYSA-N 445.259 4.336 5 20 IIBD CC(C)(C)Cc1nc(-c2ccc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)cc2)no1 439187753 OPMQUTBHIZXOMS-UHFFFAOYSA-N 447.455 4.271 5 20 IIBD CN1C(=O)c2ccc(NC(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])cc2C1=O 440454813 IJCMGEAJTYZQQL-UHFFFAOYSA-N 433.445 4.224 5 20 IIBD O=C(CN(Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1ccnn1Cc1ccccc1Cl 441270392 UBZVVIIKAPGZDV-UHFFFAOYSA-N 439.903 4.096 5 20 IIBD CCOc1cc2c(cc1CNC(=O)c1sc(Br)cc1[N+](=O)[O-])O[C@@H](C)C2 444822793 BQXSLAMMANDDAT-VIFPVBQESA-N 441.303 4.071 5 20 IIBD COc1cc(CCNC(=O)Nc2ccc(OC(C)C)cc2Cl)c([N+](=O)[O-])cc1OC 445052067 XOHNBTDGILKVFM-UHFFFAOYSA-N 437.880 4.417 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(-c3nn(-c4ccc(F)cc4)cc3Br)n2)s1 445472529 OTVRGKLEJFFBBW-UHFFFAOYSA-N 436.222 4.461 5 20 IIBD O=C(Nc1ccnn1Cc1ccccc1F)c1sc(Br)cc1[N+](=O)[O-] 446046303 SKVMXGFBVPRHAX-UHFFFAOYSA-N 425.239 4.055 5 20 IIBD CN(C(=O)Cc1ccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1)c1ccccc1 446823214 JXLMTAOHTIBWAU-UHFFFAOYSA-N 444.491 4.391 5 20 IIBD O=C(Nc1ccc(OC(F)F)cc1OC(F)F)N1CCc2ccc([N+](=O)[O-])cc2C1 446843017 ZPHWUBDYDNXCNQ-UHFFFAOYSA-N 429.326 4.388 5 20 IIBD C[C@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 446956681 ICSLMAIIYBANRT-LLVKDONJSA-N 439.287 4.485 5 20 IIBD CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 464987216 QYQHFCWIBIBLTH-SFHVURJKSA-N 436.537 4.312 5 20 IIBD Cc1c(F)cccc1NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 465277324 JXPZKCUDBRNZBM-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)c1ccc(F)cc1[N+](=O)[O-] 466244862 IVMMGJQTQWEYOV-UHFFFAOYSA-N 433.237 4.188 5 20 IIBD CSc1ccc([C@@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 466659952 LDUKSQGHRZPATC-FOIQADDNSA-N 427.526 4.107 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCCc2nc3ccc(F)cc3[nH]2)cc1[N+](=O)[O-])c1ccccn1 467475418 IYYLXFANHCHNJB-AWEZNQCLSA-N 448.458 4.151 5 20 IIBD C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1cc2cc(Br)ccc2[nH]1 468032365 AVTKOWXVZHHVKL-LBPRGKRZSA-N 431.290 4.346 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])c(C2CC2)n1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 468110929 PVMZTRDGEYGHHU-QGZVFWFLSA-N 439.859 4.293 5 20 IIBD CCOc1cc(NC(=O)Nc2ccccc2O[C@@H]2CCOC2)c([N+](=O)[O-])cc1OCC 470791236 FJBQQXBDFLNQHY-CQSZACIVSA-N 431.445 4.204 5 20 IIBD CC(C)(NC(=O)c1cc(F)c(F)cc1I)c1ccc([N+](=O)[O-])cc1 471906911 LVZCBCNXRKUWOE-UHFFFAOYSA-N 446.191 4.143 5 20 IIBD COc1c(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)cccc1[N+](=O)[O-] 475757077 KMQBAAOFUUPXIC-UHFFFAOYSA-N 446.463 4.446 5 20 IIBD COC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 475883517 VPKINTJBTVWJEX-RXVVDRJESA-N 448.523 4.493 5 20 IIBD O=C(c1cnc(Cc2ccccc2F)s1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 476681222 AJFOIXOCZDMZDQ-UHFFFAOYSA-N 441.484 4.465 5 20 IIBD COc1cc(C(=O)NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc([N+](=O)[O-])c1C 477829719 WBOGRNQOCCUHKY-UHFFFAOYSA-N 437.427 4.233 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2oc(C)c(C)c2c1 477936088 KMRBKAYYJLYYJN-LJQANCHMSA-N 441.509 4.448 5 20 IIBD Cc1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(Br)c1 478238466 QYYGEMGGXMALQR-UHFFFAOYSA-N 425.304 4.019 5 20 IIBD O=C(N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1cc2cc([N+](=O)[O-])ccc2o1 478462692 AAJDZHNAXHMLTR-AWEZNQCLSA-N 428.750 4.477 5 20 IIBD O=C1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 478482558 HPYFZYBWATUIMC-WBMJQRKESA-N 437.283 4.061 5 20 IIBD O=C(NCCc1cccc(OCC(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1Br 478524100 UYYPQHVRIJMNHB-UHFFFAOYSA-N 447.207 4.271 5 20 IIBD Cc1cc(C(=O)NC2CCCCC2)ccc1NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] 480194769 UFHYCPHLMMTNGL-UHFFFAOYSA-N 445.541 4.383 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](c1ccccc1)c1nc2ccccc2n1C 481397508 DPVKMJBZPHPTTN-XMMPIXPASA-N 443.507 4.498 5 20 IIBD CCn1c(SCC(=O)NCc2cccc([N+](=O)[O-])c2C)nnc1-c1ccc(Cl)cc1 481469048 UWDOHFPRMJTGAK-UHFFFAOYSA-N 445.932 4.244 5 20 IIBD CCc1c(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cnn1C(CC)CC 482689464 FPLIHXKSDIZTIQ-INIZCTEOSA-N 433.534 4.020 5 20 IIBD CCc1c(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cnn1-c1ccccc1Cl 486407032 SRKUPHAZPGUUSL-UHFFFAOYSA-N 430.848 4.266 5 20 IIBD O=C([C@@H](Oc1ccc(F)c(F)c1)c1ccccc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 487081510 YQWADVKEDPTEGH-NRFANRHFSA-N 442.422 4.053 5 20 IIBD COc1cccc(Cc2nnc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)o2)c1 488855396 OLJQMSLJLLLQAR-NSHDSACASA-N 448.888 4.350 5 20 IIBD Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] 489544002 BOKQGGNBVOVJNX-QMMMGPOBSA-N 436.291 4.003 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1nc(C(F)(F)F)cs1 489870522 KUIFZNKMDHMRSN-UHFFFAOYSA-N 435.449 4.081 5 20 IIBD COc1c(S(=O)(=O)Nc2ccc(SC)cc2)cc(Br)c(C)c1[N+](=O)[O-] 491591692 NMVIUTVDJKWTJL-UHFFFAOYSA-N 447.332 4.197 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOC[C@H]1c1nc2ccccc2s1 500710570 FKAWJVPEGXOYME-DYVFJYSZSA-N 429.523 4.285 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(CC)CC(=O)Nc1ccccc1OC 502514921 GHLRBFJQTPCFMW-UHFFFAOYSA-N 431.514 4.206 5 20 IIBD O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 505438294 AMEXRDBPBXOVDI-MRXNPFEDSA-N 426.301 4.092 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCN([C@H](C)c2ccccc2F)C1=O 505479549 JIVOLTWLHCUWAC-RADWXHQJSA-N 441.503 4.171 5 20 IIBD C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1ccc(NC(=O)c2ccncc2)cc1 505762115 GXMWDHUATVYZMN-CQSZACIVSA-N 431.452 4.300 5 20 IIBD C[C@H](Cc1ccc(Br)cc1)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 507340516 MSPABCOXRLLCQW-CYBMUJFWSA-N 443.301 4.119 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H](C[C@@H]1CCOC1)c1ccccc1 510003834 FJUBFIDRSVHICO-IFXJQAMLSA-N 433.302 4.184 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)cc1C 511697420 JYPPHHXBWYIEFP-HNNXBMFYSA-N 440.905 4.224 5 20 IIBD COc1ccc(-c2ccc(C)c(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)c2)cn1 512968900 USQQPTIWHCYXBQ-UHFFFAOYSA-N 429.436 4.412 5 20 IIBD C[C@@H](N[C@H](C)c1ccc2n[nH]cc2c1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 513423883 AZMPEXAXTYXYGX-CHWSQXEVSA-N 436.497 4.272 5 20 IIBD CCC(CC)[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccs1 517322171 SAEKAFKMALMTMA-MRXNPFEDSA-N 441.456 4.490 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 518823460 LHZUIDAGAYKDFM-OLZOCXBDSA-N 431.876 4.241 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)[C@H](C)OC[C@@H]1CCCO1 519017822 PBNUSCWNOKYWIH-BBRMVZONSA-N 448.497 4.023 5 20 IIBD COc1cc(OCC(=O)Nc2ncc(Cc3ccc(C)c(C)c3)s2)ccc1[N+](=O)[O-] 519980377 ASJORFBXDFTKPN-UHFFFAOYSA-N 427.482 4.285 5 20 IIBD O=C(Nc1nc(-c2ccc(Cl)cc2)n[nH]1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 520440733 AGNIUMRRTAAMHO-UHFFFAOYSA-N 426.845 4.409 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NCc2ccc(CN3CCCCC3)cc2)c([N+](=O)[O-])c1 520868717 SCOQVCQTWUXAPT-UHFFFAOYSA-N 433.512 4.157 5 20 IIBD COc1ccccc1Oc1ccc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 521376289 ACKIMKUZYBJNDE-UHFFFAOYSA-N 432.429 4.013 5 20 IIBD CC(C)(C)C(=O)NC1CCC(c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)CC1 522034060 OZKFEIIWTLFNQS-UHFFFAOYSA-N 425.489 4.238 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccccc2CN(C)C(=O)c2cccs2)c([N+](=O)[O-])c1 523124050 PTPAAIDZWZGHMG-UHFFFAOYSA-N 445.522 4.038 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@@H](c2ccccc2Cl)C1 524198585 XKJJOYKTODUZMF-GOSISDBHSA-N 425.268 4.271 5 20 IIBD COc1cc(CCNC(=O)Nc2ccc(COC3CCCC3)cc2)c([N+](=O)[O-])cc1OC 524798751 SHKHTQGHLZTWNO-UHFFFAOYSA-N 443.500 4.435 5 20 IIBD O=C(NCCCc1nnc2n1CCCCC2)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 525166709 KLNNHSZDZTUMHJ-UHFFFAOYSA-N 435.484 4.068 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](Cc1ccccc1)c1ccccc1F 525386988 TXBGFJXKVYLSRU-IBGZPJMESA-N 430.457 4.005 5 20 IIBD COC(=O)[C@@H](NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)C1CCCCC1 531516669 RQAKVDVAFXHUCY-VFNWGFHPSA-N 440.500 4.015 5 20 IIBD CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)CCNc2ccccc2[N+](=O)[O-])cc1 532414564 DLVXKOWRASYOQT-MRXNPFEDSA-N 427.505 4.148 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)N(Cc1cccc(-c2cccnc2)c1)C1CC1 533181792 HUAGCMKMTQDASA-UHFFFAOYSA-N 432.480 4.410 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 534950203 VQIBNSRSAVUAJL-MRXNPFEDSA-N 446.500 4.094 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1cc(-c2ccccc2)nn1C(C)(C)C)c1cccc([N+](=O)[O-])c1 536456533 UVJVKMHHDANNNV-OAHLLOKOSA-N 435.484 4.029 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1)N1CC[C@H](CSc2ccccc2)C1 539414316 OXJCYZZXNLVLFC-AWEZNQCLSA-N 441.538 4.119 5 20 IIBD CCN(CC)C(=O)CCC1CCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 542036834 MTCMOAHTZZIAJX-UHFFFAOYSA-N 425.533 4.225 5 20 IIBD COc1ccccc1[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)N1CCCCC1 545154334 KZYUZRXJAYVPFV-NRFANRHFSA-N 443.519 4.364 5 20 IIBD Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F 547244702 XAHRAUQGLWBIBM-UHFFFAOYSA-N 444.463 4.450 5 20 IIBD CC(=O)NC1CCC(NC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 549178185 YOFFOYUDSIYNAR-UHFFFAOYSA-N 427.526 4.232 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 552733981 XHWPHRKCNDCOJL-MRXNPFEDSA-N 449.287 4.111 5 20 IIBD COc1ccc(CC(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)cc1[N+](=O)[O-] 552827131 MJSNHZIECFJKGY-DJJJIMSYSA-N 438.402 4.153 5 20 IIBD O=C(CCCc1ccccc1)N[C@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 553016844 IAGHSASGHQEMKY-IBGZPJMESA-N 435.480 4.085 5 20 IIBD COc1cc(C(=O)N[C@@H](CO)CC2CCC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 553106762 UERBZHBIUHJESZ-MRXNPFEDSA-N 434.876 4.330 5 20 IIBD CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 555736821 NYXNDNMEFOUUPR-INIZCTEOSA-N 425.485 4.362 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 557610536 DFFVLRXXTZRHHG-NRFANRHFSA-N 444.329 4.096 5 20 IIBD CCC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 559875876 DIBPNMDFXNZLTQ-HZPDHXFCSA-N 448.545 4.086 5 20 IIBD COc1cc(CNc2ccc(C(=O)N(C)C)cc2)c([N+](=O)[O-])cc1OCc1ccccc1 562849097 LSFVJHVWXSBWDA-UHFFFAOYSA-N 435.480 4.496 5 20 IIBD O=C(Nc1cccc(NS(=O)(=O)Cc2ccccc2)c1)c1ccc(Cl)cc1[N+](=O)[O-] 569638152 ONPOCHXYNXGYRS-UHFFFAOYSA-N 445.884 4.442 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccc(Oc2cc(C)ccc2C)nc1 571931772 NFFKXCIIJOUQLZ-UHFFFAOYSA-N 448.479 4.216 5 20 IIBD CCOc1cc(CN2CCC[C@H]2CF)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 574791906 PSHJYPOKCPGAPQ-IBGZPJMESA-N 446.475 4.373 5 20 IIBD Cc1cc(C(=O)NC2CCN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)CC2)c(C)o1 579147480 ZUIJGZHCEDNZHD-UHFFFAOYSA-N 425.407 4.218 5 20 IIBD COc1cc(C(=O)Nc2ccc(N(C(C)=O)[C@@H]3C[C@@H]3C)cc2)c([N+](=O)[O-])cc1OC(F)F 579162475 RBDUAHFXRKCKLS-MEDUHNTESA-N 449.410 4.218 5 20 IIBD COc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1c1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 580496145 BJSMWZJPDFMYBU-KKSFZXQISA-N 447.451 4.393 5 20 IIBD CCC[C@@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CCCCC1 585757423 WUBWXOCGZIZLMB-MRXNPFEDSA-N 426.311 4.161 5 20 IIBD COCCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@H](C)c1cccc(C(F)(F)F)c1 603530179 NQVKPBUTLCVGIV-CYBMUJFWSA-N 426.391 4.472 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(OC(C)C)c(OC)c1 603632322 YBZHHKLUMDVNHZ-GJZGRUSLSA-N 431.489 4.077 5 20 IIBD Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N(C)Cc3ccccc3[N+](=O)[O-])cc2)cc1 603755740 WJRRANGIBZCAEI-UHFFFAOYSA-N 438.505 4.149 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCN(Cc2ccncc2)CC1 603926441 FDLXUUNHCLFRSO-UHFFFAOYSA-N 434.521 4.099 5 20 IIBD Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)cc1 608866577 ZJQPXORQTJZMPA-HNNXBMFYSA-N 430.892 4.231 5 20 IIBD CCC[C@@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(=O)N1CCc2sccc2C1 608899796 DPAJGEPHIOEJDW-GOSISDBHSA-N 443.569 4.437 5 20 IIBD C[C@H]1CO[C@@H](c2ccccc2Cl)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 609545801 RTKCUOSOYFTKKJ-MEDUHNTESA-N 431.297 4.052 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCCc3cc(Cl)cc(C)c32)cc1OC 609788663 MZJLEVCXAZLBAF-UHFFFAOYSA-N 434.876 4.183 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1c(C)noc1C)Cc1c(C)noc1C 609925845 AJNAUMOVHWYVMS-UHFFFAOYSA-N 429.433 4.047 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)NC(c2cccs2)c2cccs2)cc1OC 609978919 URQACXTYSMVQFN-UHFFFAOYSA-N 448.522 4.271 5 20 IIBD COc1cc(CN(C)c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)c(SC)cc1OC 610160827 PJXZOKXJRJIVJN-UHFFFAOYSA-N 445.541 4.206 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC1(c2ccc(Br)cc2)CC1 610161958 WBWNSHIAFTYCNJ-UHFFFAOYSA-N 439.331 4.018 5 20 IIBD COc1cc(C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)cc([N+](=O)[O-])c1OC 610176090 VDXKAJGMHXJJNY-WJOKGBTCSA-N 440.477 4.172 5 20 IIBD O=[N+]([O-])c1nn(Cc2ncc(-c3ccc(Br)cc3)o2)cc1Br 610218156 ZMEVLXDIWQIXGQ-UHFFFAOYSA-N 428.040 4.020 5 20 IIBD CC(=O)N1CCCCC[C@H]1C1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 611170762 QNOPQQGFSKXUSL-QFIPXVFZSA-N 426.517 4.253 5 20 IIBD Cc1ccc(NC(=O)[C@H](N[C@H](CO)[C@@H](C)c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 613390776 YXFYBHDFDBWOIG-KUWBRRTOSA-N 433.508 4.337 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CCOc3c(Br)cccc3C2)cc1[N+](=O)[O-] 619364738 WLRFJHGJKHFVFI-CYBMUJFWSA-N 434.290 4.331 5 20 IIBD Cc1ccc(Sc2ccc(CNCc3ccc(-n4cncn4)nc3)cc2[N+](=O)[O-])cc1 725845860 KKKGTMLJZWSLRN-UHFFFAOYSA-N 432.509 4.320 5 20 IIBD C[C@H](OC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C(=O)N[C@@H](C)c1ccc2ccccc2c1 725936733 HYCYWQYMHJEZKY-STQMWFEESA-N 428.391 4.449 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(-c3ccc(OCc4cccnc4)cc3)no2)ccc1-n1ccnc1 731802656 MUJAVSHXMRIOQG-UHFFFAOYSA-N 440.419 4.472 5 20 IIBD Cc1ccccc1C[C@@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 734153540 IJICHILTMZQBCP-INIZCTEOSA-N 439.331 4.062 5 20 IIBD CSc1ccccc1NC(=O)[C@@H](C)OC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 735147173 BMBMEYPILXPROD-GFCCVEGCSA-N 438.889 4.309 5 20 IIBD Cc1ccc([C@H]2CCCCCN2C(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)o1 737750607 FRVLXVJWOAZSBQ-CRAIPNDOSA-N 429.448 4.132 5 20 IIBD C[C@]1(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)CCCN(C(=O)c2ccccc2)C1 741938041 XADDVVAUDZQQKA-DEOSSOPVSA-N 449.463 4.236 5 20 IIBD Cc1ccc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1NC(=O)OC(C)(C)C 742543433 HZDIZAMOIGFMLF-UHFFFAOYSA-N 440.500 4.213 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC([C@@H](O)c2ccc(F)cc2)CC1 742691400 YDNUQJVLXSOZLT-SFHVURJKSA-N 426.366 4.339 5 20 IIBD CS[C@@H]1CC[C@@H](NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 742739202 GGGYWBXYBDOKHU-WIYYLYMNSA-N 436.537 4.390 5 20 IIBD CCc1ccc([C@H](NC(=O)COC(=O)c2cc(F)ccc2[N+](=O)[O-])c2cccs2)cc1 743196961 AJIXKWVORGUKBK-NRFANRHFSA-N 442.468 4.420 5 20 IIBD CCN(CC1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1)C(=O)OC(C)(C)C 746022029 PVBVXTUTIDDUFX-UHFFFAOYSA-N 436.509 4.104 5 20 IIBD Cc1c(CC(=O)Nc2ccc(NC(=O)CN3CCCCCCC3)cc2)cccc1[N+](=O)[O-] 747847079 WYHDNGLIRGDQKL-UHFFFAOYSA-N 438.528 4.289 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)c1ccc2ncccc2c1)c1cccc([N+](=O)[O-])c1 748712977 QNRMYKMFUQWBQC-FQEVSTJZSA-N 433.464 4.385 5 20 IIBD CCCc1c(C(=O)OCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cnn1C1CCCC1 751850583 ZGQZQIJHSHCPRT-UHFFFAOYSA-N 442.472 4.014 5 20 IIBD COc1ccc(CNC(=O)N[C@H]2CCOc3c2ccc(Cl)c3Cl)cc1[N+](=O)[O-] 753065528 IVIAWYBUWASKNK-ZDUSSCGKSA-N 426.256 4.233 5 20 IIBD CCc1cccc(C)c1NC(=O)COC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 753432871 NKCAFLJUWCNTPJ-UHFFFAOYSA-N 435.274 4.332 5 20 IIBD C[C@H](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)N(C)Cc1ccccc1 755022706 WLKSHXHWSPUTHJ-CYBMUJFWSA-N 438.297 4.137 5 20 IIBD O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)oc1ccccc12 755907989 FNJQSMIHALTHCS-UHFFFAOYSA-N 439.449 4.090 5 20 IIBD CC[C@H]1CN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@H]1NC(=O)OC(C)(C)C 756956366 VDICBHGTYGZYRW-QFBILLFUSA-N 441.532 4.490 5 20 IIBD CN(C(=O)c1cccc([N+](=O)[O-])c1Br)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 759140484 FHJGVPWASDOJFE-PBHICJAKSA-N 437.265 4.489 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@@H]2CC[C@H]3SCCS[C@@H]23)cc1[N+](=O)[O-])c1ccccn1 762682261 OTBWZXCBBQFYPX-KORVSZGISA-N 444.582 4.272 5 20 IIBD Cc1cc(=O)oc2cc(OCCOC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)ccc12 762991753 WCUPCDULIYHZFR-UHFFFAOYSA-N 429.400 4.049 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCCN2C(=O)OC(C)(C)C)cc1[N+](=O)[O-])c1ccccn1 763246849 MWZCCBKRGDFCJG-OAHLLOKOSA-N 441.488 4.161 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O 765875105 IAMHQZGJABMCMX-WJDWOHSUSA-N 445.884 4.023 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(C[C@](O)(c3nc4ccccc4s3)C(F)(F)F)n2)cc1 766239269 GMBDCZCUDYYBND-KRWDZBQOSA-N 436.371 4.247 5 20 IIBD CCOc1ccc(-c2nc(COC(=O)c3cc(OC)c(OC)cc3[N+](=O)[O-])co2)cc1 773096167 OOKJEALZWFKJKK-UHFFFAOYSA-N 428.397 4.023 5 20 IIBD CSc1cccc(C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)CC(C)C)c1[N+](=O)[O-] 776844845 MZCXKBDEGHWNAW-HXUWFJFHSA-N 425.551 4.376 5 20 IIBD CSc1cccc(C(=O)N[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)OCc2ccccc2)c1[N+](=O)[O-] 776874867 OZZZTQZQARAJPV-FEHORTKBSA-N 440.521 4.205 5 20 IIBD CSc1cccc(C(=O)OCc2nc(COc3cc(C)cc(C)c3)no2)c1[N+](=O)[O-] 777074417 YGHVKQPUAPTZKW-UHFFFAOYSA-N 429.454 4.253 5 20 IIBD O=C(c1cc([N+](=O)[O-])c2nsnc2c1)N1CCCCC[C@H]1C[C@H](O)c1ccccc1 778367817 IORFCWNGAVZLGP-LPHOPBHVSA-N 426.498 4.108 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)c1nccnc1-c1nc2ccccc2s1 780636675 OVRHXALONJVQEA-UHFFFAOYSA-N 436.449 4.206 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCC1(c2cccc(Br)c2)CC1 781642793 VKWDSZQCSRESDM-UHFFFAOYSA-N 448.273 4.046 5 20 IIBD O=C(Nc1ccc(OC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cc1)c1ccsc1 781964452 IRLTZJRYLDRHEY-LJQANCHMSA-N 437.433 4.007 5 20 IIBD O=C(NCc1cccc(NC(=O)C2CCC2)c1)c1cccc([N+](=O)[O-])c1Br 782167170 NJXWTCNTOZDPTN-UHFFFAOYSA-N 432.274 4.026 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] 784621298 AMTDVWOBYOUTBD-MGPQQGTHSA-N 438.322 4.079 5 20 IIBD CCN(Cc1ccccc1)C(=O)[C@H](C)OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 784837053 GSIUPJYYDPGVIR-KRWDZBQOSA-N 428.488 4.275 5 20 IIBD NC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 785105684 LZDARFSTEMJTDE-AWEZNQCLSA-N 438.383 4.082 5 20 IIBD CC(C)C(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 785938718 APIZPRQGYPJEPK-ZDUSSCGKSA-N 432.860 4.200 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1 787407239 SWPLOXYAFKHXIU-UHFFFAOYSA-N 428.445 4.237 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC(COc3ccc(Cl)nc3)CC2)c1 788786423 GEKDKPLXOXYXJP-UHFFFAOYSA-N 433.892 4.038 5 20 IIBD C[C@H](OC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(OC(F)F)cc1 790741829 QLOCHQCHFONMJY-VIFPVBQESA-N 446.765 4.102 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCc1csc(CCc2ccccc2)n1 790877036 OYSCKPWWCDWSFJ-UHFFFAOYSA-N 433.892 4.488 5 20 IIBD O=C([C@H]1SCCc2sccc21)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791246222 VROAGLFOOXWYKA-INIZCTEOSA-N 439.356 4.334 5 20 IIBD CCc1nc(C)c([C@H](C)N(C)C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)s1 792992357 JPMFLQFBTUBWHV-ZDUSSCGKSA-N 432.546 4.378 5 20 IIBD Cc1cccc([C@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c2ccccn2)c1 795905498 WDEXALYPCRPSFA-IBGZPJMESA-N 435.864 4.159 5 20 IIBD C[C@@H](OC(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1)C(=O)Nc1ccccc1[N+](=O)[O-] 797510213 DHSSXNONFFVPDX-LLVKDONJSA-N 449.250 4.271 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@H]1C[C@H]1c1ccccc1Br 797576028 QZENLCWWKVVLDE-XHDPSFHLSA-N 427.657 4.365 5 20 IIBD COc1cc(CN2CCCC3(CCN(C)CC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 798956539 CIUSODGXZKSINL-UHFFFAOYSA-N 439.556 4.490 5 20 IIBD Cc1nc(-c2ccc([C@@H](C)NC(=O)C(=O)Nc3c(F)ccc([N+](=O)[O-])c3C)cc2)cs1 800597763 TZRZNNMJKREFDH-GFCCVEGCSA-N 442.472 4.290 5 20 IIBD CC1CCN(c2ccc(C(=O)N(C)CCc3cccc([N+](=O)[O-])c3)cc2[N+](=O)[O-])CC1 801091165 OUBPTLFRBZPQSD-UHFFFAOYSA-N 426.473 4.054 5 20 IIBD C[C@H](CC(=O)N(C)CCc1ccccc1[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 803410698 RXXXYRPPWQNKEC-QGZVFWFLSA-N 433.549 4.269 5 20 IIBD C[C@H](OC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(=O)N[C@@H](C)c1ccc(F)cc1 811374493 IGAFZZCEICRBCJ-UWVGGRQHSA-N 429.231 4.463 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1ccc(C(=O)OCc2ccccc2)cc1 811935151 CWGRINQXFLPIBK-UHFFFAOYSA-N 433.464 4.293 5 20 IIBD Cc1ccc([C@@H](CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])N2CCOCC2)cc1 812922704 MXYCRQDUVOWWIB-GOSISDBHSA-N 438.311 4.013 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 812960275 JKNNISIYUXQJPW-LLVKDONJSA-N 432.304 4.279 5 20 IIBD O=C(CCc1cncs1)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 814385024 CHIPXYXXJKYWJV-UHFFFAOYSA-N 431.857 4.495 5 20 IIBD CCOC(=O)c1c(NC(=O)COc2cccc(Cl)c2[N+](=O)[O-])sc(C(C)=O)c1C 814773373 IWJNXBHKRMYVAB-UHFFFAOYSA-N 440.861 4.015 5 20 IIBD CN(C)C(=O)OC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 818723573 IMMGFACQJBAKRX-UHFFFAOYSA-N 435.546 4.180 5 20 IIBD Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1cc([N+](=O)[O-])c(F)cc1F 897589874 BBLZALFUZXRMOE-UHFFFAOYSA-N 425.395 4.257 5 20 IIBD COC(=O)c1cccc(OCc2noc(-c3cc(Br)c(C)c([N+](=O)[O-])c3)n2)c1 904614075 GEWVJRHTFYZDGJ-UHFFFAOYSA-N 448.229 4.081 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc(OCc2cscn2)c(OC)c1 913384190 ZBIJYSCKWFUVCC-UHFFFAOYSA-N 430.438 4.005 5 20 IIBD Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)OCCn1c([N+](=O)[O-])cnc1C 917944387 XXOASGYRKYTMFU-UHFFFAOYSA-N 448.888 4.232 5 20 IIBD Cc1sc2nc(CS[C@H](C)C(=O)OCCc3ccc([N+](=O)[O-])cc3)nc(O)c2c1C 918799442 RKYOPGMVGUNSSV-CYBMUJFWSA-N 447.538 4.330 5 20 IIBD CSc1ccc(C(=O)OCC(=O)N(Cc2cccc(F)c2)C(C)(C)C)cc1[N+](=O)[O-] 918816284 PAFCUJRDQPIEQC-UHFFFAOYSA-N 434.489 4.440 5 20 IIBD C[C@@H](OC(=O)Cn1ccc2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 919629105 GWSVLZBKANIVHA-GFCCVEGCSA-N 435.358 4.139 5 20 IIBD Cn1cc(C(=O)OCC2CCN(Cc3ccccc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 920133879 AWWSZSZLBNAKKT-UHFFFAOYSA-N 434.496 4.064 5 20 IIBD Cc1nc(-c2ccccc2)sc1C(=O)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 920147803 LMXCOADSYOZAMB-UHFFFAOYSA-N 445.884 4.267 5 20 IIBD C[C@H](C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 1318796076 YBTVKERPOACHHD-MGPUTAFESA-N 425.485 4.339 5 20 IIBD O=C(Nc1cnn(Cc2cccnc2)c1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 1322235667 ICSWQTXKWHSDPT-UHFFFAOYSA-N 428.452 4.099 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1csc(-c2ccco2)n1 1333383243 JVZGTVFIDTVYAG-UHFFFAOYSA-N 439.453 4.412 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(NCc3ccc([N+](=O)[O-])cc3Br)cc2)C[C@H](C)O1 1342916083 RRIGBXZNEQPLNM-KBPBESRZSA-N 448.317 4.219 5 20 IIBD Cc1ncc(Br)c(C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)n1 1345204723 NDQWKLCPFBNQFG-UHFFFAOYSA-N 434.275 4.140 5 20 IIBD COc1cc(-c2nnc([C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])o2)cc(OC)c1OC 1349920866 BNMWWIHOOQVONQ-SNVBAGLBSA-N 435.820 4.464 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@H]3CNc4ccccc43)cc2)CCC1)c1ccc([N+](=O)[O-])o1 1788043508 HCIDZEFCRXCNND-SFHVURJKSA-N 446.463 4.145 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)C4CC(C)(C)C4)CCC3)cc2)ncc1[N+](=O)[O-] 1788767495 SUQGZKOHIXVWCO-UHFFFAOYSA-N 436.512 4.482 5 20 IIBD CCCCC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(C)c([N+](=O)[O-])c1 1800140024 OODFRUCKNMODKK-WJMWBRGCSA-N 429.561 4.300 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cccc(F)c1Cl 1800524043 TYIJMDGYOOJSFG-QDMKHBRRSA-N 449.841 4.092 5 20 IIBD Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2c(F)ccc([N+](=O)[O-])c2C)cc1F 1800699396 IULDIXBJLNBGGC-BJWYYQGGSA-N 443.450 4.055 5 20 IIBD O=C(Cc1cc(F)ccc1[N+](=O)[O-])N1CCC2(CCCN(C(=O)CCC3CCC3)C2)CC1 1805799040 NANOMPKVVVSHCL-UHFFFAOYSA-N 445.535 4.088 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CC=CCC2)[nH]n1)c1cc(F)cc([N+](=O)[O-])c1 1821163570 SPUKVRNJEUBPES-AUUYWEPGSA-N 441.463 4.119 5 20 IIBD Cc1ccoc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830619158 KCUWJFKMTKWCGC-IBGZPJMESA-N 443.475 4.182 5 20 IIBD C/C=C(\C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(F)ccc([N+](=O)[O-])c2C)CC1 1830729316 MIEWHIHDTFKVNR-FYGBFIRESA-N 431.508 4.242 5 20 IIBD CC(=O)CCc1ccc2oc(C(=O)O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)c(C)c2c1 8807196 PVZIPCKIXLCQHB-HNNXBMFYSA-N 438.436 4.355 5 20 IIBD CCN(CC)[C@@H](CNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)c1ccccc1 11652306 MLAKXSQBHSAXHW-QHCPKHFHSA-N 449.555 4.269 5 20 IIBD O=C(NCCc1ccc2c(c1)OCCO2)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 14866818 BUZOSUVQUXIXOL-UHFFFAOYSA-N 436.489 4.490 5 20 IIBD COc1cc(CCNC(=O)c2c(-c3ccccc3Cl)noc2C)c([N+](=O)[O-])cc1OC 16143277 HXZCOOSEQYGEQR-UHFFFAOYSA-N 445.859 4.201 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)c1ccc(SC)c([N+](=O)[O-])c1 16913382 PUZWTYUTYFEZPX-LLVKDONJSA-N 438.889 4.471 5 20 IIBD COc1cc(C(=O)Nc2ccccc2C(N)=O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 17481972 PXFHMYNEUNMTTL-UHFFFAOYSA-N 441.827 4.400 5 20 IIBD COc1ccc(-c2nn(CN(C)Cc3cc([N+](=O)[O-])ccc3Cl)c(=S)n2C)cc1 27533196 GJVBVNCNXPLCAU-UHFFFAOYSA-N 433.921 4.278 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2n[nH]c(-c3ccccc3Br)n2)c1 28904044 UNNQFCKZPHXIFY-UHFFFAOYSA-N 434.275 4.117 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H](C(=O)Nc1ccccc1)c1ccccc1 58314001 JOQDZWNUSYGQFJ-HSZRJFAPSA-N 432.480 4.283 5 20 IIBD O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@H](c2ccc(Br)cc2)C1 62513980 VOZZQSVPPOAJNU-INIZCTEOSA-N 425.666 4.224 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCC1CCN(Cc2ccccc2)CC1 63080559 XUCRMOHDCWCZMY-UHFFFAOYSA-N 439.559 4.183 5 20 IIBD Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)c12 64783177 VNCVQBHFWXUBKK-UHFFFAOYSA-N 440.463 4.112 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 69251458 DUWIRCSJSXBXJI-OAQYLSRUSA-N 442.585 4.460 5 20 IIBD CN(C)c1c(Cl)cccc1NC(=O)c1cc([N+](=O)[O-])ccc1I 107799973 FTJNXGIQQJBRGM-UHFFFAOYSA-N 445.644 4.171 5 20 IIBD Cc1c(NC(=O)CCN2CCC(C(=O)c3cc(F)ccc3F)CC2)cccc1[N+](=O)[O-] 108141321 BBYZYSGKTOUCMI-UHFFFAOYSA-N 431.439 4.105 5 20 IIBD Cc1ccc([C@@H](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)N2CCCC2)cc1 109503985 URXKWRAMMGSZTI-AREMUKBSSA-N 439.559 4.416 5 20 IIBD O=[N+]([O-])c1cccc(N2CCN(Cc3coc(-c4ccc(Br)cc4)n3)CC2)c1 195686795 AMJHSTSFBKDSAX-UHFFFAOYSA-N 443.301 4.335 5 20 IIBD CS(=O)(=O)Cc1ccc(CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 237355525 LPOJFXFBPZUZLX-UHFFFAOYSA-N 444.484 4.361 5 20 IIBD O=[N+]([O-])c1ccc(NCc2ccc(Br)cc2N2CCOCC2)c2ncccc12 301782081 SYJQFAZRIIDQHI-UHFFFAOYSA-N 443.301 4.354 5 20 IIBD C[C@@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1cccc(NC(=O)c2ccccc2)c1 301927108 HZYQAPVNWIMXIR-CYBMUJFWSA-N 445.522 4.485 5 20 IIBD CCCCN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)CC1 303000302 OCCPPWWHEVOYPA-UHFFFAOYSA-N 427.501 4.390 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N(C)CCN(C)c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 303247644 BBRPCBCTCKEUNK-GOSISDBHSA-N 433.512 4.371 5 20 IIBD C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Cl)cc1Cl 303464732 MJHSRWOABZGTPS-HZMBPMFUSA-N 442.324 4.445 5 20 IIBD C[C@H]1CN(CCC2CCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC2)C[C@@H](C)O1 426800762 OWNQIUKPMDNSQH-KDURUIRLSA-N 442.560 4.004 5 20 IIBD CC(C)(NC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1)c1ccc([N+](=O)[O-])cc1 430547131 FHMKNQSNFPHFQX-QFIPXVFZSA-N 445.475 4.202 5 20 IIBD C[C@@H](c1cccc(Br)c1)N1CC(=O)N([C@@H](C)c2cccc([N+](=O)[O-])c2)C1=O 430880749 ZIRGCETWHFKLST-STQMWFEESA-N 432.274 4.444 5 20 IIBD CC(C)n1cnnc1-c1ccccc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 432753035 SCURMQOGWJACKZ-UHFFFAOYSA-N 430.262 4.449 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(=O)N(CC1CC1)CC1CC1 435487913 WTDBAIFPFQXSPQ-UHFFFAOYSA-N 431.539 4.395 5 20 IIBD CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1 436079834 SOFZHLJGLRWOBO-OAHLLOKOSA-N 445.494 4.279 5 20 IIBD COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1O)CC2 436864519 ZMANPZBIRHCNSP-QHCPKHFHSA-N 434.448 4.106 5 20 IIBD O=C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 437068779 MLPSFBIPVOQQNY-UHFFFAOYSA-N 441.793 4.397 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3C)cc2)cc1 438902023 LPRPSYFBPLTMHG-UHFFFAOYSA-N 439.493 4.194 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCCc1nnc(SC)n1C1CCCC1 439884235 SSNOHBUMOFTWRE-UHFFFAOYSA-N 448.549 4.176 5 20 IIBD COc1ccc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1-n1nnnc1C1CC1 440809355 OYSGVLHJPDJFFJ-UHFFFAOYSA-N 436.472 4.006 5 20 IIBD O=C(Nc1ccc(COC2CCCC2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 440977435 LYNSGQDXJRICTL-UHFFFAOYSA-N 449.410 4.233 5 20 IIBD COc1ccccc1-c1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 442177131 SWZYQRQCJDEUHC-MRXNPFEDSA-N 433.464 4.395 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCS(=O)(=O)c1ccc(C(C)(C)C)cc1 443949889 UASUMDZFLRUXCL-UHFFFAOYSA-N 433.530 4.105 5 20 IIBD O=C(NCc1nc(-c2cccc(Cl)c2)no1)c1ccc2[nH]c3ccccc3c(=O)c2c1 444020182 KCWOBAFGVRSXOO-UHFFFAOYSA-N 430.851 4.315 5 20 IIBD CN(C)c1cc(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c2ccccc2n1 444109230 BMODJDLALUIJKY-UHFFFAOYSA-N 440.478 4.365 5 20 IIBD C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444322372 IUZJKMNCAKCFEU-OYHNWAKOSA-N 447.485 4.210 5 20 IIBD COc1cc([C@H](C)NC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)ccc1OCC(C)C 444982816 XAVPVCYVLGLXRI-AWEZNQCLSA-N 441.488 4.075 5 20 IIBD CCCOc1c(Cl)cc(/C=C/c2nc(-c3c([N+](=O)[O-])nc(C)n3C)no2)cc1OC 445610807 SJTSADPKEVUBHY-VOTSOKGWSA-N 433.852 4.308 5 20 IIBD O=C(Cc1noc(/C=C/c2cccc(C(F)(F)F)c2)n1)NCc1ccc([N+](=O)[O-])cc1 445721819 HKOORUKAUNLQEY-RMKNXTFCSA-N 432.358 4.026 5 20 IIBD COC1(c2noc(-c3ccc(Sc4nc(C)cs4)c([N+](=O)[O-])c3)n2)CCOCC1 445788896 CTKFSZPHOPEFDT-UHFFFAOYSA-N 434.499 4.213 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(I)cc1Cl 445820321 GVIUWOIPSGGMDB-UHFFFAOYSA-N 430.629 4.424 5 20 IIBD Cn1nccc1N1CCC[C@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 447080997 BFINJUWOXBYGGK-SFHVURJKSA-N 425.464 4.018 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 448171064 SQKHXIPILFNYSI-UHFFFAOYSA-N 430.910 4.333 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCc4ccc(O)cc4C3)n2CCc2ccccc2)c1 460407747 ARLWBBUWFBHSFT-UHFFFAOYSA-N 441.491 4.364 5 20 IIBD CCCO[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCCO2)CC1 461671204 RWQIXEUMWCMGKA-RTWAWAEBSA-N 443.548 4.208 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CC4(CCC4)c4ccccc43)n2C[C@@H]2CCOC2)c1 461697077 SRJZNHOWIHJIJQ-KRWDZBQOSA-N 431.496 4.463 5 20 IIBD Cc1c(Br)cc(C(=O)NC[C@@H]2CCN(c3ccccc3F)C2)cc1[N+](=O)[O-] 462386146 BTHSTKOXRKWPRB-ZDUSSCGKSA-N 436.281 4.061 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Br)c2ncccc12 463800123 ROLAQQNECPRWKK-UHFFFAOYSA-N 442.678 4.360 5 20 IIBD COc1ccccc1O[C@@H](C)CNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 464290255 JCUBUTLPPKUDIG-LBPRGKRZSA-N 444.431 4.298 5 20 IIBD Cc1ccccc1-n1nc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c2c1CCC2 464641200 XFLOMENPBAXCPT-UHFFFAOYSA-N 446.507 4.261 5 20 IIBD CC[C@H](C)Oc1cc(C)ccc1CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 464994372 NWWVHMSQKDGJFG-RDJZCZTQSA-N 445.541 4.063 5 20 IIBD CN(CCCCNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 465767082 YSCZVWSWZPSXED-UHFFFAOYSA-N 426.517 4.064 5 20 IIBD CCC[C@@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 467272286 AMHBBERUHWWMDP-MRXNPFEDSA-N 431.514 4.048 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)c1ccc(-c2csc(C)n2)cc1 468622000 NOUOMBHGRUFGOA-SJKOYZFVSA-N 442.545 4.137 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC(=Cc2ccc(F)c(F)c2)CC1 469446769 SMZHKUSBYHBUOF-AWEZNQCLSA-N 431.439 4.388 5 20 IIBD CC(C)(C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1)n1cc([N+](=O)[O-])cn1 472956753 FNYROFBEKZBCKZ-UHFFFAOYSA-N 441.315 4.041 5 20 IIBD O=C(Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1cc(O)cc([N+](=O)[O-])c1 475315216 JGZKKMLCWRLLSJ-UHFFFAOYSA-N 447.856 4.007 5 20 IIBD CNC(=O)CC[C@@H]1CCCCN1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 476130533 CIXPXJGPDHZZEA-KRWDZBQOSA-N 426.473 4.300 5 20 IIBD Cc1ccc(I)cc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 476305001 NXYKWYAWODBZMS-UHFFFAOYSA-N 435.221 4.170 5 20 IIBD CCc1nc([C@H](C)NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)n[nH]1 477291152 FTUZVXUFPQQUCZ-NSHDSACASA-N 445.863 4.221 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCC[C@@](C)(OC)CC2)c([N+](=O)[O-])c1 480859924 ZPDYGDNHUBYUMK-JOCHJYFZSA-N 447.557 4.205 5 20 IIBD COC(=O)c1cc(OCC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)ccc1[N+](=O)[O-] 481966009 ZGISPDYWQLBKQN-FQEVSTJZSA-N 440.496 4.421 5 20 IIBD CCc1ccc([C@@H]2CN(C(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])CCO2)cc1 482030081 CERAGNHJLKXLSD-IBGZPJMESA-N 438.402 4.312 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 482352352 NCCKSJVLNBFSQT-HOYKHHGWSA-N 447.495 4.027 5 20 IIBD Cc1cccc(OC[C@@H](O)CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)c1 484132720 PXQDICXKAFKNQY-SFHVURJKSA-N 438.505 4.224 5 20 IIBD COC(=O)c1ccc(-c2csc(NC(=O)c3cc(OC)c(C)c([N+](=O)[O-])c3)n2)cc1 485617443 DAZRZZVVSWASDH-UHFFFAOYSA-N 427.438 4.074 5 20 IIBD COC(=O)c1cc(NC(=O)CCc2ccc(OC(F)(F)F)cc2)c(C)c([N+](=O)[O-])c1 485939879 JNEMLSWKUDAYIO-UHFFFAOYSA-N 426.347 4.160 5 20 IIBD CSc1cccc(C(=O)Nc2ccc(NC(=O)CCN3CCCCC3)cc2)c1[N+](=O)[O-] 486246433 VYXNQXYFWGRRDB-UHFFFAOYSA-N 442.541 4.384 5 20 IIBD CSc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1[N+](=O)[O-] 486939811 RKAYSCTXVCPKRX-UHFFFAOYSA-N 443.506 4.370 5 20 IIBD O=C(N[C@H]1CCN(c2ccccc2F)C1=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 487576806 RXHHACJKRXWMAC-IBGZPJMESA-N 435.411 4.062 5 20 IIBD O=C(NCc1cccc(NC(=O)C2CCCC2)c1)c1cc([N+](=O)[O-])ccc1OC(F)F 487672990 GPSDBBJKMRKPNG-UHFFFAOYSA-N 433.411 4.255 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)c(Cl)c1 488412584 OVJAGUDCAWTLCU-UHFFFAOYSA-N 445.309 4.145 5 20 IIBD COCCSc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1 488889724 IKNKHIRYIBBIRJ-GFCCVEGCSA-N 426.441 4.426 5 20 IIBD CCC1(CO)CCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 491288159 CHLPTXMRVQOPGX-HXUWFJFHSA-N 431.920 4.413 5 20 IIBD CCCn1c(=O)c2ccccc2n2c(SCc3ccc([N+](=O)[O-])c(OCC)c3)nnc12 492313481 OZKMVUJNKZYUQW-UHFFFAOYSA-N 439.497 4.053 5 20 IIBD O=C(Nc1ccc(Oc2ccc(Cl)cc2)cn1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 494515928 RLIQOJXSHUKZCE-UHFFFAOYSA-N 436.815 4.269 5 20 IIBD CC(=O)CCc1ccc(OCCC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 498134682 IDCXQEMPUWXVIN-JOCHJYFZSA-N 428.510 4.160 5 20 IIBD O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCO[C@H](c2cccc(Br)c2)C1 500257146 MCWRDWPDSOBUSV-SFHVURJKSA-N 430.258 4.052 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N[C@H]1CCCOc2ccccc21 504192987 CLAOPFZHHMNKPK-SFHVURJKSA-N 431.514 4.095 5 20 IIBD O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 505316941 LYOLWFADBPSQKJ-UHFFFAOYSA-N 441.753 4.022 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCN([C@@H](C)c2ccccc2F)C1=O 505479546 JIVOLTWLHCUWAC-AQOAWAETSA-N 441.503 4.171 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(N3CCOCC3)[nH]c2c1 505783170 QNLZOVURBIDTPB-UHFFFAOYSA-N 441.513 4.062 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F 508405590 XECKNKLAFJPUEU-HKUYNNGSSA-N 449.429 4.186 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)CCCC2 509015161 MOOMFIOJMPAZBF-UHFFFAOYSA-N 443.266 4.095 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCNc1ncc(Cl)cc1Cl 509797556 CXNQKDYHSKXPEH-UHFFFAOYSA-N 426.304 4.329 5 20 IIBD CCOc1cc(CNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OC 510718703 OXBHCYYIDPTXCF-UHFFFAOYSA-N 444.431 4.429 5 20 IIBD Cc1ccc(NC(=O)C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)cc1[N+](=O)[O-] 512988835 ZAYRPBGFYUVYRL-UHFFFAOYSA-N 425.391 4.026 5 20 IIBD Cc1c(CNC2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] 513174225 QDEOGTHIPNFKAI-UHFFFAOYSA-N 431.920 4.153 5 20 IIBD CC(C)N(CC(=O)N[C@@H](C)c1ccc(Br)cc1)Cc1ccc([N+](=O)[O-])cc1 513391654 FDNOGXQAKRXQSX-HNNXBMFYSA-N 434.334 4.445 5 20 IIBD CSc1nc(C)c(CCC(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)c(C)n1 514447258 CGPLPPHIZUFPLT-UHFFFAOYSA-N 442.463 4.247 5 20 IIBD CCNC(=O)c1ccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)c1 515692284 YDAZCMNSBKALFL-UHFFFAOYSA-N 441.431 4.403 5 20 IIBD COc1cc(C(=O)NCc2ccc([C@@H]3C[C@@H]3C)o2)c([N+](=O)[O-])cc1OCc1cscn1 516231301 SMKWQLVHSJXHLA-SWLSCSKDSA-N 443.481 4.285 5 20 IIBD CC(C)c1nc(CCNCc2cc(I)cc([N+](=O)[O-])c2)cs1 516353265 PQOLDCDKAVUWIU-UHFFFAOYSA-N 431.299 4.112 5 20 IIBD O=C(c1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1)N1CCOCC1 518276609 GMWGTVNDDORCSO-UHFFFAOYSA-N 437.521 4.086 5 20 IIBD COc1ccc(C(=O)NC[C@@H](C)Sc2ccc(Br)cc2)cc1[N+](=O)[O-] 518303242 YMHKXFPVDGRVID-LLVKDONJSA-N 425.304 4.277 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCC[C@@H](c4nncn4C(C)C)C3)cc2[N+](=O)[O-])CC1 520354144 BQIDAHKXNIHFSK-LJQANCHMSA-N 440.548 4.023 5 20 IIBD COc1ccccc1[C@@H](NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1ccccc1 520395328 IAQDAIATISXHOA-QHCPKHFHSA-N 429.432 4.377 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cc(C(F)(F)F)ccc1-n1cccn1 521555581 MQFGGBSASFXPGS-UHFFFAOYSA-N 429.358 4.393 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(Cl)ccc1Sc1nccn1C 521737671 CUJXUCZWZFGYJC-UHFFFAOYSA-N 438.918 4.242 5 20 IIBD CC[C@@H]1CN(C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C[C@@H](C)O1 521991390 JNNCKYBRQDDKSJ-GDBMZVCRSA-N 428.510 4.187 5 20 IIBD COc1cc(C(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)cc([N+](=O)[O-])c1OC 524641647 UXUWUJDMPNLQPZ-UHFFFAOYSA-N 439.443 4.031 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 525354753 WKWPDJWWYKJBTN-HXUWFJFHSA-N 435.883 4.493 5 20 IIBD O=C(Nc1cc(-n2cnnn2)ccc1F)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 537144936 LFZNKURHEZVOEK-UHFFFAOYSA-N 436.428 4.113 5 20 IIBD CCOc1ccccc1-c1cccc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 537924827 RNNRMNZKEDMQKS-IBGZPJMESA-N 432.480 4.382 5 20 IIBD Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c(N2CCOCC2)c1 540458132 MQNYBWRESCUKND-UHFFFAOYSA-N 429.542 4.170 5 20 IIBD CC[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1nc(C(F)(F)F)cs1 541632746 MNWFBGGPBSEJIH-NSHDSACASA-N 432.424 4.148 5 20 IIBD Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 546928143 NYKJRXNMCDYQKR-IBGZPJMESA-N 444.495 4.280 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC3(CCCN3C)CC2)cc1 546977725 SDJSJUMHZHFYQM-UHFFFAOYSA-N 425.485 4.096 5 20 IIBD COc1cc(Cc2noc(Cc3cn4cc(Cl)cc(Cl)c4n3)n2)ccc1[N+](=O)[O-] 547194268 GCQOPNIEGUIZJL-UHFFFAOYSA-N 434.239 4.123 5 20 IIBD O=C(CCCc1ccccc1)N[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 553608245 XPVGZSPTDXQVTN-QGZVFWFLSA-N 433.455 4.304 5 20 IIBD CC(C)(NC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)c1ccccc1[N+](=O)[O-] 554063397 FTPVPUZUFGGXHW-UHFFFAOYSA-N 438.505 4.234 5 20 IIBD O=C(Nc1cccc(OCc2ccccn2)c1)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 555554759 FJWOCUUZRDZSEX-UHFFFAOYSA-N 448.464 4.090 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 557174573 UPRNJAQOTMIGTK-HXUWFJFHSA-N 438.402 4.277 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2ccc3c(c2)nc(C2CC2)n3C)cc1SC 559276241 QAIISLFSIWSXLL-UHFFFAOYSA-N 426.498 4.019 5 20 IIBD C[C@@H](NC(=O)c1ccc(N2N=C(Cc3ccccc3)CC2=O)cc1)c1cccc([N+](=O)[O-])c1 562399585 XLMFHGANZFQKAG-QGZVFWFLSA-N 442.475 4.421 5 20 IIBD O=C(C1CCC(OC[C@H]2CCCO2)CC1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 565373538 IZAHBVBGYVLJGH-VMWRSERWSA-N 444.450 4.240 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 571217396 ZAMMXDVMFBGPHP-UHFFFAOYSA-N 429.358 4.462 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2nc(C3CCOCC3)cs2)cc1[N+](=O)[O-] 573101617 DKJHOQHLOGYING-UHFFFAOYSA-N 426.292 4.269 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccn(-c2ccccc2)n1 603648734 OFOCZRFOALFRDE-UHFFFAOYSA-N 434.378 4.033 5 20 IIBD CCOC(=O)c1cc(C(=O)N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1 604519275 YYCYOECEMMJIPG-DYESRHJHSA-N 426.469 4.011 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1N1CCc2ccccc21 608876445 MQZNHEBYYLDZAG-INIZCTEOSA-N 430.464 4.046 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 608877549 KIIAVZJYHJCGAV-GFCCVEGCSA-N 444.900 4.053 5 20 IIBD O=C(c1ccc(NCC2(c3ccc(Cl)cc3)CCC2)c([N+](=O)[O-])c1)N1CCOCC1 608885971 ZBXSGNVCGJCTFL-UHFFFAOYSA-N 429.904 4.254 5 20 IIBD O=C(CCCCc1ccc(I)cc1)NCc1ccc([N+](=O)[O-])cc1 609020581 ZBHZPINCULMKGH-UHFFFAOYSA-N 438.265 4.229 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Oc3ccc(F)cc3)nc2)no1 609475500 PIUDCMSIYBFMAF-CYBMUJFWSA-N 449.398 4.462 5 20 IIBD CCOc1ccc(Br)cc1NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609762454 SUWYQRHHZVDPEE-UHFFFAOYSA-N 432.230 4.262 5 20 IIBD CCc1ccc(CCNC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])cc1 609862611 CEPNFDDDXAAQJA-UHFFFAOYSA-N 441.509 4.174 5 20 IIBD CC[C@@H](c1ccncc1)N(C)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 610010552 MBWVJCDETWQWNI-INIZCTEOSA-N 425.411 4.213 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C)c1ccc(Oc2ccccc2)cc1 610114336 HGCPXMTVZORDAQ-MGPUTAFESA-N 437.500 4.497 5 20 IIBD Cc1ccc(NC(=O)N2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)cc1[N+](=O)[O-] 610163476 ZLCGAYSWVAIQEM-UHFFFAOYSA-N 436.512 4.338 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCc3c(F)cc(Br)cc3C2)c1 610730150 GBIDOHOAEKLSKZ-UHFFFAOYSA-N 437.265 4.159 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(C[S@](=O)Cc3ccn(-c4cccc(F)c4)n3)co2)cc1 611165636 XHNAMQQJABBAJT-SSEXGKCCSA-N 426.429 4.024 5 20 IIBD Cc1ccc(NC(=O)c2cccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3F)c2)cc1 727461334 ZIHDXHAIPUJGAQ-UHFFFAOYSA-N 430.413 4.062 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(Cc3noc(-c4ccsc4)n3)CC2)c(C(F)(F)F)c1 727584944 BUYJMNWPNXQPKA-UHFFFAOYSA-N 439.419 4.047 5 20 IIBD CN(C)C1CCN(c2ccc(NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)cc2F)CC1 728279181 CSOWJKJSYWNKKN-UHFFFAOYSA-N 443.523 4.095 5 20 IIBD CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)cc1 729182251 OSIALNBIYYXNSQ-UHFFFAOYSA-N 439.921 4.311 5 20 IIBD C[C@@H](OC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)c1cccc([N+](=O)[O-])c1 729846716 CQQSAWVZTZNGNG-GFCCVEGCSA-N 441.490 4.399 5 20 IIBD COc1ccccc1[C@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 731117031 GRLNRRVFXABEMD-XMMPIXPASA-N 446.507 4.225 5 20 IIBD CC(C)[C@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 731918390 KLHJTZSTIWJUTJ-SFHVURJKSA-N 442.440 4.172 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1cc(Br)cnc1OCC(F)(F)F 734114824 AQRXJGQIXNUAPY-UTCJRWHESA-N 446.179 4.345 5 20 IIBD CCCN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)[C@@H]1C[C@H](OCC)C12CCCC2 740803691 RHDBFJXZUGTBPO-YADHBBJMSA-N 445.560 4.021 5 20 IIBD C[C@@H](NC(=O)N1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 743323371 PCLXCTJKOLUCHN-UZLBHIALSA-N 446.548 4.477 5 20 IIBD COc1ccc(OCCN2CCC([C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1 743842085 BPCRCASAWUWRQE-IBGZPJMESA-N 449.548 4.094 5 20 IIBD Cc1ccccc1C1(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCOCC1 744859574 VBHCRGPCXYQIDP-INIZCTEOSA-N 437.452 4.306 5 20 IIBD CC(C)CCc1nc(COC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cs1 745025881 AHRVSMRHMOFENY-AWEZNQCLSA-N 437.543 4.049 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 747123213 FMVJOQZLUHYSAC-UHFFFAOYSA-N 446.765 4.380 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@@H](C)O1 747389454 PRGIENOSYUBHQU-QLFBSQMISA-N 433.892 4.268 5 20 IIBD Cc1ccc(CNC(=O)c2nnc(/C(Cl)=C\c3cc(O)ccc3[N+](=O)[O-])s2)cc1 751205506 LZOQPGJFRLUCGF-OQLLNIDSSA-N 430.873 4.127 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@@H](C[C@@H]1CCOC1)c1ccccc1 753821461 IQDFGMRBPUZOPB-GUYCJALGSA-N 426.441 4.171 5 20 IIBD O=C(C[C@@H]1CCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1cccs1 755018234 UDRFELHWIRENFC-NSHDSACASA-N 441.278 4.436 5 20 IIBD C[C@H](OC(=O)c1cncc(-c2ccccc2)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 758106040 BQDRWDRPTPUIEX-ZDUSSCGKSA-N 425.828 4.494 5 20 IIBD O=C(NCc1ccnc(N2CCCCCC2)c1)c1cccc([N+](=O)[O-])c1Br 758303322 ULOMDNXPNLEXGY-UHFFFAOYSA-N 433.306 4.063 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1ccc(Br)cc1-n1cncn1 759879531 RMBZZPLVMOGFEI-UHFFFAOYSA-N 436.653 4.152 5 20 IIBD COc1ccc(C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1Br 760480581 CYHRBBSDCYJBEF-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD O=C(CCSc1ccc2c(c1)OCCO2)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760522563 OZCKMACUPBUUQD-UHFFFAOYSA-N 442.449 4.247 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1noc(Cc2ccccc2)n1 760604846 QNFGUOSYVLEVKJ-MRXNPFEDSA-N 435.484 4.050 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H](O)c1ccc(Cl)cc1Cl 762416172 PFCBKTLTTMWMAW-HNNXBMFYSA-N 433.675 4.174 5 20 IIBD O=C(Nc1nnc([C@H]2CCCc3ccccc32)s1)c1cc([N+](=O)[O-])c2nsnc2c1 762514920 RESXUJJZUONGCU-ZDUSSCGKSA-N 438.494 4.172 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@@H](C)Sc1nc2ccccc2s1 762906580 HYDILLGUJGQHNM-GFCCVEGCSA-N 431.495 4.175 5 20 IIBD O=C(Nc1ccc(Oc2ccc(Cl)nn2)cc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 763580493 OAMASJMQSSCYGB-UHFFFAOYSA-N 436.815 4.269 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC[C@@H](Cc2ccc(C(C)C)cc2)C1 764449662 FTQVLPJHXMFICE-SFHVURJKSA-N 440.496 4.009 5 20 IIBD COc1cc(C(=O)Oc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)c([N+](=O)[O-])cc1OC 767065570 XXZFMXHJIVNOOU-CYBMUJFWSA-N 446.456 4.417 5 20 IIBD O=C(COC(=O)c1ccc(Cl)nc1C(F)(F)F)Nc1ccc(Cl)c([N+](=O)[O-])c1 769197822 NALRPPOVNDTLLJ-UHFFFAOYSA-N 438.145 4.111 5 20 IIBD O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)c1sc(N2CCCC2)nc1Cl 773462529 QVUAGIUGLGLPOV-UHFFFAOYSA-N 446.710 4.424 5 20 IIBD C[C@H](N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 775100298 CKJKPNGCDXZZBC-STQMWFEESA-N 430.892 4.275 5 20 IIBD CSc1ccccc1CC(=O)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C 776744326 RRCKICBMUNUBGF-UHFFFAOYSA-N 426.498 4.346 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 777938706 DFGHSEMXHUQDBP-UHFFFAOYSA-N 428.401 4.046 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)OCCC1OCCO1 781152581 MOCDJODHINCKLD-SSZFMOIBSA-N 440.477 4.441 5 20 IIBD CN(C)Cc1ccc(CN(C)C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1 781923200 PERGEAVUNQBNKX-UHFFFAOYSA-N 435.474 4.293 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N2CCC[C@@H]2c2cccs2)cc1[N+](=O)[O-] 784647377 QQZMADQYSMBCGF-CYBMUJFWSA-N 438.303 4.029 5 20 IIBD Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Br 785400593 YGOQDXLJGMIZEQ-UHFFFAOYSA-N 437.200 4.288 5 20 IIBD CCN(CC1CCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1)C(=O)OC(C)(C)C 790700154 FKWLNUXWBSCWNG-UHFFFAOYSA-N 435.521 4.021 5 20 IIBD O=C(/C=C\c1ccc2[nH]ccc2c1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791171225 CCBITZFELOAGEN-KXFIGUGUSA-N 426.270 4.437 5 20 IIBD CN(C)c1cc(F)c(C(=O)Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)cc1[N+](=O)[O-] 791355955 FTYOHHPOIGKVRZ-CQSZACIVSA-N 426.448 4.347 5 20 IIBD O=[N+]([O-])c1cc(Cl)c(OS(=O)(=O)c2ccc(F)cc2Br)cc1F 796207469 FGCJMUSESQXOOW-UHFFFAOYSA-N 428.594 4.057 5 20 IIBD Cn1cc(Oc2ccccc2C(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)cn1 801466082 IKTCYHRLPWORFO-UHFFFAOYSA-N 432.230 4.240 5 20 IIBD O=C(Cn1cc(Cl)cn1)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 808552094 VSKDEBMXCKTKLB-GOSISDBHSA-N 449.250 4.021 5 20 IIBD O=C(OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]1CCCN(C(=O)c2ccccc2)C1 811084256 XOQDWGHQMZCOHH-CQSZACIVSA-N 437.279 4.497 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2c(F)cc(C(F)(F)F)cc2F)c([N+](=O)[O-])c1 811417805 GHZLMIWTEGDUIG-QMMMGPOBSA-N 448.300 4.084 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 811533177 JFRNOLKYHQZQIN-INIZCTEOSA-N 430.766 4.361 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C(=O)Nc1ccc(C(F)(F)F)cc1 814485085 VQRBUDLVUMKGNE-SNVBAGLBSA-N 443.353 4.003 5 20 IIBD CC(C)[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)N[C@H]1CCCC[C@H]1C 878473299 XJUSYNPVKWFAMR-JDITYXQVSA-N 448.563 4.417 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21 912934266 CCIUKHVKWBDCHZ-UHFFFAOYSA-N 431.448 4.380 5 20 IIBD C[C@H](c1ccc(Cl)cc1)N(C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)C1CC1 914480856 VPGPFTNNHVBAKH-HIFRSBDPSA-N 445.878 4.492 5 20 IIBD CC(C)C(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 914931119 JKAHTWCVQBUSPM-LBPRGKRZSA-N 433.848 4.027 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)NCc2cccc(COCc3ccco3)c2)cc1[N+](=O)[O-] 915088239 JPGNFTBKYICTEM-UHFFFAOYSA-N 425.397 4.051 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)CC(c2ccccc2)c2ccccc2)cc([N+](=O)[O-])c1C 916179013 DBCZWROZNRQWCY-UHFFFAOYSA-N 438.505 4.239 5 20 IIBD COc1cccc(CCC(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)c1 918634109 QIEZKBLMZRXAGX-FQEVSTJZSA-N 440.496 4.164 5 20 IIBD CCc1ccc([C@@H](NC(=O)COC(=O)Cc2ccccc2[N+](=O)[O-])c2cccs2)cc1 918842631 KPSHBDZCDDZDPS-HSZRJFAPSA-N 438.505 4.210 5 20 IIBD Cn1cc(C(=O)Oc2cccc(NC(=O)c3ccccc3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 920115328 BWBTUIZFFWKBPI-UHFFFAOYSA-N 442.431 4.467 5 20 IIBD Cc1cc(F)cc(-c2nnc(CN3CCN(Cc4ccc(Cl)cc4)CC3)o2)c1[N+](=O)[O-] 1258003995 OBBQMXYKYNBQJA-UHFFFAOYSA-N 445.882 4.064 5 20 IIBD O=[N+]([O-])c1ccc(Sc2ncc(-c3ccccc3)o2)c(S(=O)(=O)N2CCCC2)c1 1318028388 URUHBHRORAFYTE-UHFFFAOYSA-N 431.495 4.186 5 20 IIBD CN(C(=O)OC(C)(C)C)C1(C)CCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 1320699015 ZCEXXKJMZYSPDZ-UHFFFAOYSA-N 429.521 4.137 5 20 IIBD Cn1cc(/C=C2/C(=O)Nc3ccc(Br)cc32)c(-c2ccc([N+](=O)[O-])cc2)n1 1322089320 OBMYHKDCYAHSPZ-LZYBPNLTSA-N 425.242 4.251 5 20 IIBD COc1cc(-c2nnc(-c3cnn(C)c3)o2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 1329080502 GORWBLPGMFNOOJ-UHFFFAOYSA-N 427.804 4.500 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@H]3CCCCO3)cc2)CCC1)c1cccc(F)c1[N+](=O)[O-] 1785890025 LWGHGHKNHDTTPP-LJQANCHMSA-N 441.459 4.051 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@@H]3CCc4ccoc4C3)cc2)CCC1)c1ccc([N+](=O)[O-])[nH]1 1786217737 HQWIGMCXQKSLNN-MRXNPFEDSA-N 448.479 4.069 5 20 IIBD CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C2)c1ccccc1 1795458220 NYBCFNAMDHYPMJ-IIZPIQPGSA-N 439.487 4.180 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(F)c1[N+](=O)[O-])c1cccc2ccccc12 1800529329 XLXHIPARFUOYDA-BCDXTJNWSA-N 447.466 4.453 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)[nH]n1)[C@@H]1CC=CCC1 1814792659 OIBPCMVSJMFIST-AUUYWEPGSA-N 441.463 4.119 5 20 IIBD C[C@@H]1C[C@]1(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])[nH]n1 1820772208 FNAYSLLVGSMKBV-YBKYSDTISA-N 437.500 4.070 5 20 IIBD CC(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)n[nH]1 1820840398 DERHNJVBVHIDBY-IBGZPJMESA-N 439.516 4.088 5 20 IIBD O=C(C[C@@H]1C[C@@H]2CC[C@H]1C2)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823618076 PHNOHOVDCFHYHI-GTAWCEEGSA-N 443.544 4.247 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1ncnc2sc3c(c12)CCC3 3471099 LUGTVCLPNBIYLL-SNVBAGLBSA-N 430.511 4.216 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 15409866 YABKOPZXYVKBFA-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3Cl)n2C)c([N+](=O)[O-])c1 16972941 MFHAZNNIEQWXET-NSHDSACASA-N 447.904 4.172 5 20 IIBD O=C(CSc1nc2ccccc2c(=O)n1C1CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] 18964561 HVFCBDFHZCXBQT-UHFFFAOYSA-N 430.873 4.024 5 20 IIBD O=C(COC(=O)CSc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCCCCC2)cc1 19184250 BSDBYXSKHJXRRF-UHFFFAOYSA-N 443.525 4.249 5 20 IIBD CCOc1cc(C(=O)OCc2cc(Br)ccc2OC)c([N+](=O)[O-])cc1OC 19474031 VGSSMZRCIKDYPA-UHFFFAOYSA-N 440.246 4.130 5 20 IIBD O=C(COC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 20866249 NNLYQQKARFYTGV-UHFFFAOYSA-N 448.431 4.018 5 20 IIBD COc1cc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)c([N+](=O)[O-])cc1OC 22893546 IYUOLIABHIOJGH-ZDUSSCGKSA-N 443.481 4.048 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cc1[N+](=O)[O-] 24684019 KKFBDHATNKBGPS-CYBMUJFWSA-N 435.889 4.266 5 20 IIBD Cc1ccc(-c2csc3ncn(CCC(=O)Nc4ccccc4[N+](=O)[O-])c(=O)c23)cc1 26005170 YTQSRPYPCOCIIA-UHFFFAOYSA-N 434.477 4.370 5 20 IIBD O=C(NC1CCN(C2CC2)CC1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 29090563 ZLNMKFBREKWDBN-UHFFFAOYSA-N 428.920 4.217 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCN(Cc4cccs4)CC3)cc2[N+](=O)[O-])C1 60677075 POLWKBHEDHGNKQ-HDICACEKSA-N 442.585 4.097 5 20 IIBD O=C(c1cc(N[C@@H]2CCCN(c3ccccc3Cl)C2=O)ccc1[N+](=O)[O-])N1CCCC1 301343536 JNBSKQYQDLXFOS-GOSISDBHSA-N 442.903 4.092 5 20 IIBD NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F 302137374 DKXXZZDVUWJKRV-DZGCQCFKSA-N 429.420 4.009 5 20 IIBD Cc1c([C@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)oc2ccccc12 303428740 FGQDMGUXFIRPKO-DZGCQCFKSA-N 427.482 4.193 5 20 IIBD O=C(N[C@@H](CN1CCCC1=O)c1ccccc1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 410117927 GULZFMVHDYPJFU-QFIPXVFZSA-N 444.491 4.432 5 20 IIBD Cc1ccccc1C1(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCOCC1 429824422 LBRWFHSINOPMOW-UHFFFAOYSA-N 433.302 4.144 5 20 IIBD CC[C@H](C)[C@@H](C)N(C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)C1CC1 430358090 NROYPVYTPLHPAF-CMPLNLGQSA-N 426.311 4.030 5 20 IIBD COc1cccc(Cc2nnc(NC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)s2)c1 431175201 LMYGFMSFXKEDTN-UHFFFAOYSA-N 427.486 4.103 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1cnccc1-c1ccccc1 432345981 JPIBWNCWLHJPII-UHFFFAOYSA-N 434.271 4.220 5 20 IIBD COc1cc(C(=O)Nc2nnc([C@@H]3CCCc4ccccc43)s2)c([N+](=O)[O-])cc1OC 432597557 MAEYYBOYGCGSJM-CQSZACIVSA-N 440.481 4.184 5 20 IIBD C[C@@H](COc1cccc(F)c1)NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436143661 XOUHQIYCJKRIKA-LBPRGKRZSA-N 426.394 4.296 5 20 IIBD COc1cc(C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cc([N+](=O)[O-])c1OC 436459738 VTTYBLWBWPDWLE-HNNXBMFYSA-N 436.745 4.438 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1ccccc1N(C)C1CCCC1 438654956 JTSLDSJRQMKEDS-UHFFFAOYSA-N 438.528 4.349 5 20 IIBD Cc1cccc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1Br 438667878 ZBILQJNKLBJPBT-UHFFFAOYSA-N 434.290 4.041 5 20 IIBD Cc1cc(N2CCC(NC(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)CC2)n[nH]1 439945864 OPRMWASKJTUNET-UHFFFAOYSA-N 437.525 4.176 5 20 IIBD O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ncc(-c4cccc(Br)c4)o3)C2)nc1 440495963 QNRDOTGHYHLLEV-HNNXBMFYSA-N 444.289 4.094 5 20 IIBD O=C(CN1CCC[C@H](c2nc3ccc(F)cc3o2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] 443637966 HKTYSPIGYGDUIH-LBPRGKRZSA-N 432.839 4.347 5 20 IIBD CC(C)CN1CCCC[C@H]1CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444252350 NEODSXKLCZJXQU-INIZCTEOSA-N 427.495 4.200 5 20 IIBD Cc1cc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)nn1-c1cccc(F)c1 444290916 PICBQJKMIUWAAK-UHFFFAOYSA-N 448.404 4.845 5 20 IIBD COc1cccc(NC2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)CC2)c1 446309919 DZVMZWPISUHVGP-UHFFFAOYSA-N 448.317 4.012 5 20 IIBD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2Nc2ccc(Cc3nnc4n3CCCCC4)cc2)n1 447590502 CXIROKOSLFRPCF-VQTJNVASSA-N 435.532 4.296 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)c1ccccc1[N+](=O)[O-] 447636820 OEAFVGSBPFWDSN-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD COc1ccccc1[C@H](CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-])OC(C)C 447808884 YYSPDFLQCZESSE-QHCPKHFHSA-N 429.517 4.014 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnn1-c1ccc(Br)cn1 448539226 UFQKYFUGMTXHFP-NSHDSACASA-N 448.302 4.057 5 20 IIBD COC(C)(C)C[C@@H](C)NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 460291149 UBGZWHHQZBUNBQ-QGZVFWFLSA-N 436.512 4.310 5 20 IIBD CCCOc1c(Br)cc(C(=O)NCCc2ccccc2[N+](=O)[O-])cc1OC 460481476 TWQMJZLILBDQNZ-UHFFFAOYSA-N 437.290 4.127 5 20 IIBD Cc1cccc(F)c1NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 461911096 QMUWXPZWSMIBGO-UHFFFAOYSA-N 426.370 4.415 5 20 IIBD CCc1nc(C)c([C@H](C)N(C)S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])s1 462337145 FECPUJMAIOJTDS-JTQLQIEISA-N 448.364 4.066 5 20 IIBD O=C(Nc1ccc(N2CCOCC2)c2ccncc12)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 463362317 RAQAIMMDALVSBD-UHFFFAOYSA-N 446.385 4.251 5 20 IIBD CCOc1cc(C(=O)N(CCc2ccc(C)cc2)C[C@@H]2CCCO2)c([N+](=O)[O-])cc1OC 464645514 UVRJMQOXKFMKMK-IBGZPJMESA-N 442.512 4.174 5 20 IIBD C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)Oc1cccc(Br)c1 464683570 XDUPYQPPLUPXTG-NSHDSACASA-N 427.682 4.137 5 20 IIBD Cn1cc(-c2nc3ccccn3c2NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cn1 465457816 ISXOIMMQYSUABO-UHFFFAOYSA-N 445.464 4.019 5 20 IIBD O=C(NCCc1c[nH]c2cc(F)ccc12)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465818760 VCZDVKPGHIGPBU-UHFFFAOYSA-N 426.448 4.011 5 20 IIBD Cc1ccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1NS(=O)(=O)c1ccccc1 466986082 SFVUYCUDQKHPRS-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC1(c2cccc(Cl)c2)CCCC1 468126373 ZGBXGTVIIAOUAA-KRWDZBQOSA-N 433.940 4.109 5 20 IIBD CC[C@@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1OC)C1CCOCC1 470868649 PCSOKMLVMJCHCD-QGZVFWFLSA-N 449.529 4.021 5 20 IIBD O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 472276950 LKGYTRGUVGWBAC-NRFANRHFSA-N 433.855 4.348 5 20 IIBD COc1cc(CCNC(=O)Nc2cccc(C(F)(F)F)c2C)c([N+](=O)[O-])cc1OC 473824804 AISMOBMRNLBOKS-UHFFFAOYSA-N 427.379 4.303 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N(CCCO)Cc3ccccn3)cc2[N+](=O)[O-])cc1 478517334 QMLMIVNZSFQXEB-UHFFFAOYSA-N 437.521 4.474 5 20 IIBD O=C(Nc1ccc(Oc2ccc(CO)cc2)cc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 479836607 JATJENAMZWZJQE-UHFFFAOYSA-N 430.420 4.317 5 20 IIBD CCN(C)C[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)C1 479965172 VXMJIELUHBWUBV-HNNXBMFYSA-N 447.919 4.463 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)c1[N+](=O)[O-] 480205551 WNOMKPIFMPHCMB-UHFFFAOYSA-N 442.375 4.081 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)c1C 481863616 MUNPGTCVZDJXGS-UHFFFAOYSA-N 442.881 4.323 5 20 IIBD CC1(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCN(Cc2ccccc2)CC1 483338084 PJLFFUYWHPJKDX-UHFFFAOYSA-N 437.540 4.267 5 20 IIBD O=[N+]([O-])c1ccc2nc(CSc3nnc(-c4cccs4)n3C[C@@H]3CCCO3)[nH]c2c1 484496474 HWWLWRKTVVJLPO-ZDUSSCGKSA-N 442.526 4.262 5 20 IIBD Cc1occc1C(=O)NC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)CC1 485874428 WHSLGQLERXFXGM-UHFFFAOYSA-N 445.541 4.279 5 20 IIBD COC(=O)c1cc(NCC(=O)Nc2cccc(-c3csc(C)n3)c2)c(C)c([N+](=O)[O-])c1 486228430 QKVIGOBBTJMFPJ-UHFFFAOYSA-N 440.481 4.172 5 20 IIBD COC(=O)c1c(Br)ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1C 486277449 VGNNRKRBGVUFPW-UHFFFAOYSA-N 444.241 4.253 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)NCc2ccnc(Oc3ccccc3F)c2)c1[N+](=O)[O-] 486858490 MSSKZBGJGKGRFD-UHFFFAOYSA-N 431.445 4.017 5 20 IIBD CN(Cc1cc(Br)cs1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 488006232 LCWROVYVBIJOJN-UHFFFAOYSA-N 432.727 4.456 5 20 IIBD O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1 489052580 JVJPCFHSBHKELM-QGZVFWFLSA-N 438.415 4.220 5 20 IIBD CC1(c2ccccc2)CCC(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 489236029 RMJPIFOPZQPXDV-OTQYULQBSA-N 441.553 4.278 5 20 IIBD COc1ccc(NC(=O)CCN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c([N+](=O)[O-])c1 490015066 GWFSVKSYIMBMGE-OAHLLOKOSA-N 444.557 4.147 5 20 IIBD C[C@@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cc(Cl)ccc1Cl 490517474 QZNDHWDDVBLGPM-SECBINFHSA-N 430.675 4.162 5 20 IIBD C[C@H](O)C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)c1ccccc1 490586820 QELVQZQSIKRLSP-RXVVDRJESA-N 433.508 4.491 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCCN(C(=O)c3cccc(Cl)c3)CC2)cc1[N+](=O)[O-] 492959662 KWAPAUVKCIZPES-INIZCTEOSA-N 444.919 4.175 5 20 IIBD COCC(=O)N1CCc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)ccc21 494078447 KWQIKOMBNDEKNL-UHFFFAOYSA-N 447.447 4.175 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cc4c(cc3F)CCC(=O)N4)cc2[N+](=O)[O-])C1 497422349 NATJXCLBBOCTIR-KBPBESRZSA-N 440.475 4.353 5 20 IIBD COc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)c(Cl)c1Cl 497954200 XKTPLFZHYHNLST-MRXNPFEDSA-N 449.337 4.347 5 20 IIBD Cc1ccc(-c2csc(NC(=O)C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)n2)s1 500250398 INWDLVUXQUHUMG-UHFFFAOYSA-N 442.522 4.218 5 20 IIBD Cn1cc(CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])Cc2ccc(Cl)cc2)cn1 501899975 PLVRBFGWAMKQCJ-UHFFFAOYSA-N 427.892 4.013 5 20 IIBD C[C@H](CCc1ccccc1[N+](=O)[O-])Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C 503940623 BDOOCVZXNQCNHT-QGZVFWFLSA-N 437.544 4.209 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCN[C@H](c4ccncc4)C3)cc2[N+](=O)[O-])cc1 505535313 BYINHNCPYIVNRT-FQEVSTJZSA-N 434.521 4.236 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CCN(c2ccc(Br)cc2)C1 507934058 UHQIIWWKDJKABW-OAHLLOKOSA-N 434.334 4.372 5 20 IIBD COc1cc(C(=O)Nc2cc(Cl)ccc2Sc2nccn2C)c([N+](=O)[O-])cc1OC 509191596 HXTLAQJPHGRIQF-UHFFFAOYSA-N 448.888 4.402 5 20 IIBD O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1c[nH]c2cc([N+](=O)[O-])ccc12 509294222 NBDJNQMUEZVGRP-UHFFFAOYSA-N 434.374 4.184 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C1CC1)[C@H](C)c1ccco1 509551643 HICWLFQNARWFTM-LLVKDONJSA-N 440.237 4.467 5 20 IIBD O=C(N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 509974461 WMTQPMKXGXQRGF-DOTOQJQBSA-N 445.401 4.260 5 20 IIBD O=C(c1csc(-c2ncccc2F)n1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 511060357 RGFUPQGPAMRCKT-UHFFFAOYSA-N 440.378 4.457 5 20 IIBD NC(=O)C[C@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccccc1 512411612 OWQVPHHREBFRNC-SFHVURJKSA-N 439.855 4.387 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2cc[nH]n2)c1 513214261 MENLLLUUXTZKDH-UHFFFAOYSA-N 448.220 4.150 5 20 IIBD CC[C@H](c1ccccc1)c1nnc(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)s1 520743765 ILFJGMTUOMWCCP-QGZVFWFLSA-N 426.502 4.222 5 20 IIBD CNC(=O)c1cccc(CNC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)c1 521335694 JJEOYWNJJAHPPD-UHFFFAOYSA-N 435.505 4.344 5 20 IIBD COc1cc(OCC(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)ccc1[N+](=O)[O-] 521354315 PUGDVULKZGHKIZ-UHFFFAOYSA-N 426.400 4.230 5 20 IIBD CCCCN1CCC(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CC1 522882115 GQSHXFMNYDDHQW-UHFFFAOYSA-N 440.331 4.082 5 20 IIBD CCc1cc(=Nc2ccc(CN(C(C)=O)C3CC3)cc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 522903411 MJKMVZCBGRHCSP-UHFFFAOYSA-N 431.496 4.291 5 20 IIBD Cc1c(NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] 523714966 ZQEZKPZTGRVLFM-KXBFYZLASA-N 435.402 4.470 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCn2c(nnc2C(F)(F)F)C1 524825424 JWIRJXVCKRSNMX-UHFFFAOYSA-N 448.361 4.045 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])C(F)(F)F 533245235 BLZLQFGOFJMNOE-FQEVSTJZSA-N 448.401 4.196 5 20 IIBD CC(C)CC(=O)Nc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 533327186 YERTYINJTKFCOG-UHFFFAOYSA-N 445.419 4.399 5 20 IIBD COc1ccc(C[C@@H](C)CN(C)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 534895917 JSMNMSCGLYVNLI-GOSISDBHSA-N 425.529 4.157 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CC[C@@H](OCc4ccccn4)C3)c([N+](=O)[O-])c2)cc1 536307048 SBNJLCVOBAQLMC-OAQYLSRUSA-N 432.480 4.346 5 20 IIBD CC(C)[C@H]1C[C@H](NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CCO1 537931653 CAIUAYBODDYKFV-BDJLRTHQSA-N 427.288 4.021 5 20 IIBD C[C@H]1CCCCN1Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)cc1 538445783 QZNNDCXKJIPJHV-SFHVURJKSA-N 438.528 4.058 5 20 IIBD C[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccccc2)c1 539230213 UGQZEWYOIGDVPU-QGZVFWFLSA-N 432.480 4.161 5 20 IIBD CC[C@@H]1Oc2cc([C@H](C)N[C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)ccc2NC1=O 539361092 IAZOXUOHFJBRGO-LXIYXOSZSA-N 437.456 4.166 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1 539521378 VHWKSLHMELJHPS-UHFFFAOYSA-N 430.888 4.447 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 543513342 KWNAGUWTHBQOGL-FZKQIMNGSA-N 431.489 4.256 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H]2CC(=O)N(c3cccc(Br)c3)C2)n1 544758078 VRMQGDJQKSECTD-GFCCVEGCSA-N 443.257 4.236 5 20 IIBD Cc1ccnc2[nH]c(Cc3noc(-c4ccc(N5C[C@@H](C)C[C@@H](C)C5)c([N+](=O)[O-])c4)n3)nc12 545057111 BDPWSFXJEBJBAD-OKILXGFUSA-N 447.499 4.298 5 20 IIBD COc1cc(OC)c(-c2noc(CSCc3ccc(OC)c([N+](=O)[O-])c3)n2)cc1OC 546233784 IJZIGBSRRLCETC-UHFFFAOYSA-N 447.469 4.113 5 20 IIBD O=C1CCCN1c1ccc(-c2noc(-c3ccc([N+](=O)[O-])cc3Br)n2)cc1 546241578 ADHGEXDFLDSTEA-UHFFFAOYSA-N 429.230 4.201 5 20 IIBD COc1ccc(CC(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)cc1[N+](=O)[O-] 548726350 HQFCNTCYKJWJPH-KRWDZBQOSA-N 448.317 4.012 5 20 IIBD Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N(C)CCc1ccccc1[N+](=O)[O-] 552612414 UBAGVUIHJGTGLT-UHFFFAOYSA-N 426.904 4.294 5 20 IIBD CC(=O)Nc1cccc2c1CCCN2C(=O)c1cc([N+](=O)[O-])cc(Br)c1C 555786684 HFEFGEYXQYUPKE-UHFFFAOYSA-N 432.274 4.217 5 20 IIBD CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(=O)OC(C)(C)C)CC1 559079806 YZBFGTPTIGDEID-UHFFFAOYSA-N 429.521 4.067 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CNc2ccc3ccn(C)c(=O)c3c2)cc1OC 559946554 CAPWSACFFPUBLH-HNNXBMFYSA-N 425.485 4.492 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1NC(=O)N(C)C 560103369 QPQNGEQUWKIIDY-UHFFFAOYSA-N 435.278 4.320 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nc2cc(Br)ccc2o1 560564645 BCJSLCKODXVQSD-SNVBAGLBSA-N 436.287 4.296 5 20 IIBD O=C(O)CN(CCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1F 565636152 OXLVNVUGDBCUOE-UHFFFAOYSA-N 430.219 4.202 5 20 IIBD CN(C(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccc([N+](=O)[O-])nc1 565973747 RYNHUWFPGYTXAV-UHFFFAOYSA-N 436.255 4.332 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCn2c(C3CCCC3)nnc2[C@@H]1C 567483534 HENWRTLSOZGRNL-LBPRGKRZSA-N 448.321 4.132 5 20 IIBD CCN1CCN(c2ccc(-c3noc([C@H](C)c4cccc([N+](=O)[O-])c4)n3)cc2F)CC1 567789468 QIRHPNFDAASCJJ-OAHLLOKOSA-N 425.464 4.078 5 20 IIBD CCOc1cccc2cc([C@H](C)NC(=O)C(=O)Nc3cc([N+](=O)[O-])ccc3CC)oc12 569294973 RYQXDCKXPVRWSA-ZDUSSCGKSA-N 425.441 4.118 5 20 IIBD COc1ccc(Oc2ccc(NC(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)cn2)cc1 572566704 ZFPAUDMMNIZOJO-UHFFFAOYSA-N 436.424 4.217 5 20 IIBD Cc1cc(C(=O)N(CCn2ccnc2)Cc2ccccc2Br)ccc1[N+](=O)[O-] 574057781 DBJHAYXGHJCFSU-UHFFFAOYSA-N 443.301 4.205 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 576991832 YJOFLUCCGCVXFG-UHFFFAOYSA-N 437.353 4.303 5 20 IIBD Cc1ccc(Nc2nnc(SCC(=O)N3CCc4ccc([N+](=O)[O-])cc43)s2)cc1 597180152 NNHOOZPNZPZMHJ-UHFFFAOYSA-N 427.511 4.180 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cc1[N+](=O)[O-] 603566852 PZTJVKQCJXKEMD-UHFFFAOYSA-N 431.514 4.460 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cc(C(=O)N2CCCCC2)ccc1Cl 608869229 XAWRIZUPMOOONL-UHFFFAOYSA-N 430.892 4.315 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](c1ccccc1)c1cc2ccccc2o1 608875152 KHUOTXPXYQFZBK-MWTRTKDXSA-N 443.459 4.365 5 20 IIBD COc1ccc(C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)c2ccccc2)cc1OC 608949099 SXLAJFLIZDLLPG-LJQANCHMSA-N 436.464 4.334 5 20 IIBD CCc1cc(N(C)C2CCN(C(=O)c3ccccc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 608974706 APYCYWHHFUJJEE-UHFFFAOYSA-N 445.523 4.355 5 20 IIBD O=C(N[C@H]1CCN(c2ccc(F)cc2F)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 609305030 VRVAWELHLYBTGL-AWEZNQCLSA-N 430.436 4.005 5 20 IIBD CCc1ccc(-c2csc(NC(=O)CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])n2)cc1 609391377 FEHNVYDZXVJHDD-UHFFFAOYSA-N 444.900 4.303 5 20 IIBD Cc1ccc(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cc1NC(=O)c1ccncc1 609548966 PNDISXUEFBBCNW-UHFFFAOYSA-N 443.419 4.057 5 20 IIBD Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 609997863 XTYMFFOCVADKKS-BTYIYWSLSA-N 429.904 4.286 5 20 IIBD CCCC[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 610226559 NDXQTMDCVOCPKT-QFIPXVFZSA-N 438.528 4.051 5 20 IIBD O=C(Nc1ccc(NC2CCCCC2)cc1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 618200768 XKPLJQPEOIQLER-UHFFFAOYSA-N 436.468 4.245 5 20 IIBD COc1cccc2c1OCC[C@@H]2NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 618645665 QZDKRWGMLSDABQ-FQEVSTJZSA-N 434.448 4.436 5 20 IIBD Cc1ccc(-c2csc(NC(=O)c3ccc4c(c3)NC(=O)CS4)n2)cc1[N+](=O)[O-] 619729378 WUTRTNGOWSZNJX-UHFFFAOYSA-N 426.479 4.323 5 20 IIBD COc1ccccc1/C(C)=C\C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 727300250 CHELXTAKNXGPOZ-AGWAZZAUSA-N 426.469 4.206 5 20 IIBD COc1ccc(CC(=O)OCc2coc(-c3ccc(Br)cc3)n2)cc1[N+](=O)[O-] 727880874 CLBYHROBNDTBSH-UHFFFAOYSA-N 447.241 4.307 5 20 IIBD O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccc(Sc2nncs2)c(Cl)c1 728187229 BCXFLYHMZJUWOR-UHFFFAOYSA-N 446.894 4.191 5 20 IIBD CCCN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 729422504 HWFVKKXFZFJFSV-QGZVFWFLSA-N 432.521 4.031 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@H](O)c1cccc(C(F)(F)F)c1 730834527 ONUFXYXCXHZKKA-NRFANRHFSA-N 440.421 4.023 5 20 IIBD O=C(O[C@H](c1cncc(F)c1)C1CCCCC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 731774049 GZLCMFYAPUHRGN-QFIPXVFZSA-N 443.475 4.444 5 20 IIBD O=C(OCc1cccc(C(F)(F)F)c1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 732496887 AOLPYEIEPYUPPZ-CYBMUJFWSA-N 428.388 4.023 5 20 IIBD COc1ccc([C@@H]2[C@@H](COC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC(=O)N2C)cc1 735788371 JDMUTVPQFNTETH-VGOFRKELSA-N 440.496 4.277 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N[C@@H](CCO)c2cccs2)c([N+](=O)[O-])c1 740871032 NLMJQVVZBLSOSB-SFHVURJKSA-N 440.477 4.210 5 20 IIBD CN(CCc1ccccn1)C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 742389868 WXTVKYJGYHSXAA-UHFFFAOYSA-N 438.871 4.210 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)O[C@H](C(=O)Nc1ccccc1)c1ccccc1 744614425 AFGSZFIABVMPDG-QHCPKHFHSA-N 429.432 4.473 5 20 IIBD COC(=O)c1cccc(-c2nc(COC(=O)c3cc4cc([N+](=O)[O-])ccc4[nH]3)cs2)c1 744824614 GPYFNFHKOFMLIQ-UHFFFAOYSA-N 437.433 4.343 5 20 IIBD Cc1cc(C)c(C(=O)[C@H](C)OC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1C 745025823 ABBSNHOHEDLSML-DOTOQJQBSA-N 444.509 4.001 5 20 IIBD Cc1nc(C(C)(C)C)sc1C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 747259238 VJZVOVHPSJCMPZ-JTQLQIEISA-N 425.894 4.495 5 20 IIBD Cc1c(CC(=O)Nc2cnc(Br)c(Br)c2)cccc1[N+](=O)[O-] 747923863 OBUWRCMFJHVNAS-UHFFFAOYSA-N 429.068 4.004 5 20 IIBD Cc1cscc1NC(=O)c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 748089514 KNOSLCUKXGQOLS-UHFFFAOYSA-N 432.479 4.293 5 20 IIBD C[C@@H](CC(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc(N)cc1 752084726 SOLWAUDYEGGSEY-NWDGAFQWSA-N 439.390 4.260 5 20 IIBD COc1cc(C2SCCS2)ccc1OS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C 759100046 FGNWNQHMATYTNN-UHFFFAOYSA-N 445.515 4.297 5 20 IIBD CCCC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 763432899 KUJJXXODYCBDFW-UHFFFAOYSA-N 432.285 4.441 5 20 IIBD CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 763720852 OEBJMROMPXSVFP-LLVKDONJSA-N 430.800 4.381 5 20 IIBD O=C(Nc1ccc(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1)c1cccnc1 765521428 YYBVPUWITLXVAE-UHFFFAOYSA-N 431.496 4.001 5 20 IIBD C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 766719973 MALNODWPOLEBEM-KZULUSFZSA-N 443.397 4.183 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N[C@@H](CCO)c2cccs2)cc1[N+](=O)[O-])c1ccccn1 768873263 RNZLKOXKHNXIBL-KDOFPFPSSA-N 426.498 4.078 5 20 IIBD O=C(Nc1ccc(F)cc1NC1CC1)c1cc([N+](=O)[O-])ccc1I 769262620 HVZFBUWXJWAHCE-UHFFFAOYSA-N 441.200 4.165 5 20 IIBD C[C@@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C 769425852 ZDPKJTIFJKTNEZ-DOMZBBRYSA-N 428.327 4.092 5 20 IIBD C[C@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc(-c2ccc(Br)cc2)no1 775110537 FHZQKNYEBJQXSW-JTQLQIEISA-N 448.233 4.166 5 20 IIBD CC(=O)N[C@H](CC(=O)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1ccc(C)cc1 776138128 FACCHVOYOBUJFP-ZJSXRUAMSA-N 433.464 4.198 5 20 IIBD CSc1cccc(C(=O)N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)c1[N+](=O)[O-] 777176289 MGLCHFKNAIUZPS-UHFFFAOYSA-N 437.562 4.426 5 20 IIBD O=C(CCc1ncc(-c2ccccc2F)o1)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 778807778 ANMAMGRTONETQC-OAHLLOKOSA-N 443.406 4.283 5 20 IIBD O=C(Nc1cccc(OCCc2ccccc2)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 783209153 KEUNDFCLHGXEPA-UHFFFAOYSA-N 439.855 4.447 5 20 IIBD O=[N+]([O-])c1cnc(N2CCC(COc3ccc(Cl)nc3)CC2)c(Br)c1 788559885 KSTKTOVNBUQSKR-UHFFFAOYSA-N 427.686 4.096 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)c1ccccc1Br 789081165 DHQCVPHMPNPZBZ-SECBINFHSA-N 444.184 4.387 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1=O 789711440 UXMAGOKQORHVLL-QFIPXVFZSA-N 445.475 4.260 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccc(Cl)c(C(=O)NC2CC2)c1 790844884 BTMGVOBCPDVSGU-UHFFFAOYSA-N 426.231 4.114 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)Nc2c(C)cnn2[C@H]2CCN(Cc3ccccc3)C2)c1F 790867824 UBNGJFFJOUDGSP-SFHVURJKSA-N 437.475 4.247 5 20 IIBD COc1cc(C(=O)OCC(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc([N+](=O)[O-])c1C 791688271 NDCQDSGPDGJMLX-CQSZACIVSA-N 426.425 4.034 5 20 IIBD COc1ccc(CN(CCc2ccccn2)Cn2nc(C)c3cc([N+](=O)[O-])ccc32)cc1 794685031 WSYIXKVYWRINKB-UHFFFAOYSA-N 431.496 4.359 5 20 IIBD C[C@@H](OC(=O)c1cc(Br)ncc1[N+](=O)[O-])c1ccc(Br)cc1 795485002 XUEKEZQFSDOVPI-MRVPVSSYSA-N 430.052 4.433 5 20 IIBD O=C(COC(=O)COc1cc(Cl)ccc1Cl)Nc1ccc(Cl)cc1[N+](=O)[O-] 798091757 FCDGMHBFHSKFHS-UHFFFAOYSA-N 433.631 4.116 5 20 IIBD COc1ccc(-c2nc(CN3CCN(Cc4ccc([N+](=O)[O-])c(F)c4)CC3)cs2)cc1 801519383 BYMROBKGZTYTCH-UHFFFAOYSA-N 442.516 4.184 5 20 IIBD COc1ccc(CSCC(=O)O[C@@H](C)c2nccn2-c2ccccc2)cc1[N+](=O)[O-] 803067795 DPKLUCJDCYXHRF-HNNXBMFYSA-N 427.482 4.327 5 20 IIBD CC(C)(C(=O)OCc1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 805705345 CMVUAZYUIZFEJY-UHFFFAOYSA-N 432.281 4.197 5 20 IIBD CCc1ccc(C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1S(C)(=O)=O 811219236 QTQGPKHDDJDGAH-UHFFFAOYSA-N 446.506 4.041 5 20 IIBD O=C(COC(=O)c1cc(C(F)(F)F)cc(Cl)n1)Nc1ccc([N+](=O)[O-])cc1Cl 811231971 VRWWTKSYPJHFCL-UHFFFAOYSA-N 438.145 4.111 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([C@@H](O)c2ccc(OC)cc2)CC1 812630490 AZQQEWSKABCROU-JPYJTQIMSA-N 426.513 4.144 5 20 IIBD COc1cc(OC)cc(OCCCN(C)C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 813045677 AMPGSEVOGWKMOL-UHFFFAOYSA-N 443.283 4.460 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccccc2C(=O)c2cccs2)cccc1[N+](=O)[O-] 857081024 ZRJJBVJJINUPMU-CQSZACIVSA-N 438.461 4.380 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 916443369 OXMRDQFJIHQYNB-BNNQUZSASA-N 426.425 4.219 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)COCc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 916535794 DJMKVNRPEZLATQ-QHCPKHFHSA-N 434.448 4.343 5 20 IIBD Cc1cccc([C@H]2CCCN2S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c1 917930671 FFFGBQMLQDFIDT-OAHLLOKOSA-N 425.304 4.192 5 20 IIBD Cn1cc(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 918636855 HCRSHBVEKKIASK-GOSISDBHSA-N 435.480 4.328 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)/C=C/c1ccc(I)o1 919867260 JNINHIYGIPCKFH-CSKARUKUSA-N 440.237 4.243 5 20 IIBD Cc1c(C(=O)N(C)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc2ccc(F)cc12 920110117 LIPNLTSUTGERFT-UHFFFAOYSA-N 442.877 4.371 5 20 IIBD COc1ccc2cc(C(=O)OC[C@H]3CCCN3C(=O)c3ccccc3[N+](=O)[O-])ccc2c1 1263289638 LRPJNBOHYNYKST-LJQANCHMSA-N 434.448 4.218 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(-c3nc(-c4ccc(F)cc4)n4c3CCCCC4)n2)n1C 1320972643 XJQGKTLQXFZXCW-UHFFFAOYSA-N 437.435 4.083 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1CC[C@@H]2OCCC[C@H]2C1 1324060438 MAEQJBHLMJIDPH-NDXORKPFSA-N 429.904 4.429 5 20 IIBD COc1ccc([C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)c2ccc(OC)cc2OC)cc1 1329534174 XKPZNSSZAAWGSC-DEOSSOPVSA-N 436.464 4.069 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3cccc4c[nH]nc34)CCC2)cc1)c1ccc([N+](=O)[O-])o1 1785748946 PEJDGFMLZWEGSW-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD CC(C)c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2cccc([N+](=O)[O-])c2)cc1 1792476933 RSLXGQJWEDVJDK-KOUNCHBCSA-N 435.524 4.213 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)CCC2CCC2)[nH]n1)c1cc(F)cc([N+](=O)[O-])c1 1821163387 NQJRSFCNHBIEAY-LJQANCHMSA-N 443.479 4.343 5 20 IIBD CC/C=C(\C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])[nH]n1 1823096944 JNRYROSFIZPTAK-BNXPMYBGSA-N 429.452 4.119 5 20 IIBD Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)c1 1830553258 JPKNYTZSONCSTN-IBGZPJMESA-N 443.475 4.182 5 20 IIBD CCc1cccc(C)c1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 6619926 DSVQKAPFJFNCGG-UHFFFAOYSA-N 425.485 4.251 5 20 IIBD COc1cc(CN(C)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)ccc1OC(F)F 15462822 VMGWXDHGODYASX-UHFFFAOYSA-N 449.454 4.080 5 20 IIBD NC(=O)c1ccc(COC(=O)c2ccccc2OCc2ccccc2Cl)c([N+](=O)[O-])c1 16760466 SVIXOXSKMKZZQU-UHFFFAOYSA-N 440.839 4.283 5 20 IIBD Cc1cc(C)n(-c2ccc(C(=O)O[C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)n1 17653232 QIGAUODUIVCQPE-HNNXBMFYSA-N 433.424 4.365 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2sc(-c3ccccc3)nc2C)c([N+](=O)[O-])c1 18462565 PWUROBDPYDQIJB-ZDUSSCGKSA-N 441.465 4.219 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)OCc1csc(-c2cccc(OC)c2OC)n1 19285081 AINNGHGLAITOET-UHFFFAOYSA-N 430.438 4.101 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccc(Br)s1 25475045 WHOBVDVFRQLFBH-UHFFFAOYSA-N 427.323 4.295 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2cc(Cl)cn2C)c2ccccc2)c([N+](=O)[O-])c1 26036403 QXJLMSNJSLJRTC-LJQANCHMSA-N 427.844 4.432 5 20 IIBD COCCn1c(SCCCOc2ccc([N+](=O)[O-])cc2)nc2cc(Cl)ccc2c1=O 59738275 FMLZVGKARROPRX-UHFFFAOYSA-N 449.916 4.166 5 20 IIBD COC(=O)c1cc(C(=O)Nc2nc(C)c(Cc3ccccc3F)s2)cc([N+](=O)[O-])c1 59772871 JLJHUSGDNWNIMY-UHFFFAOYSA-N 429.429 4.129 5 20 IIBD COC(=O)c1cc(C(C)C)ccc1NC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 61316017 ROLZKRXWFCEORO-UHFFFAOYSA-N 432.498 4.385 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3F)cc2)c([N+](=O)[O-])c1 64478352 RJHVFVQTXWZBIF-UHFFFAOYSA-N 432.429 4.122 5 20 IIBD C[C@H]1c2cccn2CCN1C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 105880916 DOYRBFKHIJKEPY-SFHVURJKSA-N 441.491 4.395 5 20 IIBD CC(=O)c1sc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)nc1-c1ccccc1 109265716 TYULOABMWCYBDD-UHFFFAOYSA-N 433.449 4.359 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccc(OCC(F)(F)F)cc1 139800580 WSAWEVSMCROGDP-UHFFFAOYSA-N 440.421 4.412 5 20 IIBD Cc1cc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)n(-c2ccccn2)n1 216739115 GQHPJHNCPGHNSK-HZPDHXFCSA-N 434.500 4.219 5 20 IIBD O=C(c1ccc(F)cc1)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 301344160 GGPFZZYPALARDJ-QGZVFWFLSA-N 425.460 4.069 5 20 IIBD COc1ccc([C@@H](C)NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1Br 302756138 AGMYPEMOPQXFQG-CYBMUJFWSA-N 436.306 4.435 5 20 IIBD COc1ccc(-c2ccc(C(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)c(F)c2)cc1 303268800 FJZPLGIWMILMOP-UHFFFAOYSA-N 435.455 4.372 5 20 IIBD O=C1[C@H](Nc2ccc(F)cc2OCCC(F)(F)F)CCN1c1cccc([N+](=O)[O-])c1 409859567 QBKBWDOKTYNBDM-MRXNPFEDSA-N 427.354 4.283 5 20 IIBD O=C(NC1(c2ccc(F)cc2)CCOCC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 410003192 SHPRHUUSTQUALG-UHFFFAOYSA-N 427.457 4.293 5 20 IIBD CSc1ccccc1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1I 410253143 BXRSXEXCKISBAY-SNVBAGLBSA-N 442.278 4.412 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cn1 428597935 IUXSMCRJSQLTFG-INIZCTEOSA-N 444.879 4.307 5 20 IIBD Cc1c(C(=O)Nc2cc(Cl)ccc2Br)nnn1-c1cccc([N+](=O)[O-])c1 430316126 OLIBDYPTNXRPMN-UHFFFAOYSA-N 436.653 4.152 5 20 IIBD Cc1cc2c(N3CCC[C@@H]3C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)ncnc2s1 432306068 GAYMGQPGNADRIG-LJQANCHMSA-N 439.541 4.016 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(c2nc3cc(Cl)cc(Cl)c3o2)CC1 433053650 RMVWLLUQVKKNCY-UHFFFAOYSA-N 427.269 4.067 5 20 IIBD O=C(NCCCOc1ccc(F)cc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436239354 MVSXKTVKIMZDLX-UHFFFAOYSA-N 426.394 4.298 5 20 IIBD CCCN(C(=O)CCNC(=O)Nc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 441436313 FEEOPWUBBFYFBD-UHFFFAOYSA-N 449.305 4.312 5 20 IIBD CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 442184230 AXIILYBLPRBNKR-MRXNPFEDSA-N 448.545 4.173 5 20 IIBD C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444237478 MMYRMZOVEOLLAL-LBPRGKRZSA-N 438.405 4.490 5 20 IIBD C[C@H](NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc(Br)s1 444760857 UTTGOMQTDXFFBR-JTQLQIEISA-N 426.292 4.068 5 20 IIBD O=C(Cc1noc(Cc2ccc([N+](=O)[O-])cc2Cl)n1)Nc1ccc(F)c(Cl)c1 445374636 LDYSFQXWHWRZPW-UHFFFAOYSA-N 425.203 4.196 5 20 IIBD CCN(c1ccccc1)c1ccc(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 460557785 YAVIOSATNAUDAA-UHFFFAOYSA-N 433.464 4.454 5 20 IIBD CC[C@H](c1ccccc1)c1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 461705380 SFBIJDRLJFQSOP-NFBKMPQASA-N 449.555 4.444 5 20 IIBD C[C@@H](c1cccc(O)c1)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCO1 461811277 RWLSJBANXFYXDF-HRAATJIYSA-N 437.500 4.325 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1cccnc1OC1CCCC1 462440397 KJMSYCJDJBTNJL-UHFFFAOYSA-N 446.312 4.097 5 20 IIBD Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 464054114 UISQLCMGLXKRCN-AEFFLSMTSA-N 429.904 4.081 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CC=C(c3ccccc3Cl)CC2)c2ncccc12 464182898 GWFNCTZMPURALE-UHFFFAOYSA-N 429.885 4.274 5 20 IIBD C[C@@H](NC(=O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccc2ccccc2c1 464770703 CTFXENVCIMUVIL-GOSISDBHSA-N 433.508 4.469 5 20 IIBD CCOc1ccc([C@H](NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c2ccccc2)cc1 465031126 FOYKKQHQTNMDSH-RUZDIDTESA-N 448.475 4.213 5 20 IIBD CN(C)[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 469496409 UIOUERCFBWEAGG-QGZVFWFLSA-N 427.448 4.125 5 20 IIBD CCOc1cc(CNc2nocc2C)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 470661467 XOYXFWQYASEARY-UHFFFAOYSA-N 441.440 4.348 5 20 IIBD Cc1ccc(SC[C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 472253036 YWJXQDISPXQSDT-UTKZUKDTSA-N 441.553 4.113 5 20 IIBD C/C=C\C[C@@H](CO)NC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 474054761 JMWFBCVXQYRSNU-SFAKSCPVSA-N 437.855 4.306 5 20 IIBD COc1ccc(OC)c(CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C(C)(C)C)c1 474174607 XEFRQOKYXWZSJC-UHFFFAOYSA-N 443.500 4.211 5 20 IIBD CC(C)N(Cc1ccco1)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 477752801 KLRMPHVZSPSMNV-UHFFFAOYSA-N 443.481 4.039 5 20 IIBD COc1cc(C(=O)Nc2ccc(Cc3nnc4n3CCCCC4)cc2)cc([N+](=O)[O-])c1C 480423379 XJBHGTNZQINRDW-UHFFFAOYSA-N 435.484 4.073 5 20 IIBD CCn1c(SCc2nc(-c3ccc(OC)cc3)no2)nnc1-c1ccc([N+](=O)[O-])cc1 481350002 ZTBLKIRIXSIXNL-UHFFFAOYSA-N 438.469 4.224 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc2ccc(Br)cn2n1 482080161 IHCYUJORWIRMTJ-UHFFFAOYSA-N 432.278 4.448 5 20 IIBD COc1c(C(=O)N(C[C@@H]2CCCO2)c2ccc(Br)cc2)cccc1[N+](=O)[O-] 483333457 BSCHPJNBLFVJPT-HNNXBMFYSA-N 435.274 4.192 5 20 IIBD CCOc1cc(NC(=O)c2ccc(-c3cncnc3)cc2F)c([N+](=O)[O-])cc1OCC 484094875 FOPUCRDZQDPCNJ-UHFFFAOYSA-N 426.404 4.241 5 20 IIBD CCOC(=O)C1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC1 484319568 PRVFEVBTYHHCLR-UHFFFAOYSA-N 425.485 4.059 5 20 IIBD Cc1cc(Br)ccc1CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 487146945 OOLMPIRURVEZGZ-UHFFFAOYSA-N 433.302 4.278 5 20 IIBD CCO[C@H](C)c1noc(CN(C)C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n1 488057510 WUQLVWKFUXWKAD-CQSZACIVSA-N 442.497 4.499 5 20 IIBD COc1ccccc1Cc1nnc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)o1 488799753 KTQJRRQLNQJPKQ-LLVKDONJSA-N 448.888 4.350 5 20 IIBD CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 489094036 KTQOTHIPEZKHLD-KRWDZBQOSA-N 449.511 4.277 5 20 IIBD O=C(Nc1ccc(NC(=O)C2CC2)nc1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 495161620 JQLUSRLVZDLGQH-UHFFFAOYSA-N 431.452 4.203 5 20 IIBD O=C1C[C@@H](NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c2ccccc21 499055838 MPNFEZCHJVHXIR-QGZVFWFLSA-N 447.413 4.274 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)COc1ccc(Br)cc1F 501977691 JMHUUDKQSUWIIX-UHFFFAOYSA-N 425.254 4.312 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O 503628399 MYQAJVLTAYCQHC-QGZVFWFLSA-N 431.489 4.161 5 20 IIBD COc1ccc(CSCC(=O)N[C@@](C)(c2ccccc2)C(F)(F)F)cc1[N+](=O)[O-] 504537544 ACGIHZIDFIGRPY-SFHVURJKSA-N 428.432 4.431 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(CCCc2ccccc2)C1=O 507288763 BMQIEZSTQFMCIQ-FQEVSTJZSA-N 441.553 4.060 5 20 IIBD Cc1c(Br)cc(C(=O)NCc2nnc(-c3ccccc3)s2)cc1[N+](=O)[O-] 510038243 FIFHCJYKRJUREU-UHFFFAOYSA-N 433.287 4.114 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 512959934 GQNFABJGOUWJMR-UHFFFAOYSA-N 435.402 4.055 5 20 IIBD Cc1c(COc2ccccc2)cccc1NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 513831136 KXDRZFFFWLGLRR-UHFFFAOYSA-N 440.477 4.138 5 20 IIBD Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)cc2)cc1 514452013 MJRNAOKQNZYYCU-UHFFFAOYSA-N 436.489 4.080 5 20 IIBD O=C(NC[C@@H]1CCCO1)Nc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 516715711 DHALBQHDPVRSRH-HNNXBMFYSA-N 433.852 4.193 5 20 IIBD CCN(C[C@H]1CCCO1)c1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] 519966074 ZMAABCCEOWXDKI-QGZVFWFLSA-N 433.530 4.018 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 520108501 SBBHCBABNMLQMP-UHFFFAOYSA-N 428.836 4.036 5 20 IIBD COc1cc(-c2nc(-c3cc(Br)c(C)nc3OC)no2)cc([N+](=O)[O-])c1C 520458278 PICGQZISFPYENJ-UHFFFAOYSA-N 435.234 4.103 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2nc3ccc(Cl)cc3s2)ccc1[N+](=O)[O-] 523228521 IXBRVSWUQIIYFV-INIZCTEOSA-N 444.900 4.410 5 20 IIBD COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 524114059 ODRIDRGWALRJEB-MRXNPFEDSA-N 447.875 4.068 5 20 IIBD CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1cc(I)cc([N+](=O)[O-])c1 526062248 DZBMEQKTLPKJQF-NSHDSACASA-N 442.175 4.002 5 20 IIBD COC(=O)[C@@H](CC(F)F)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 535667359 VTRZZBFZXSQSRA-CQSZACIVSA-N 444.843 4.326 5 20 IIBD CCOc1cc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)ccc1OCc1cccnc1 536253896 WCDOJKXCKBCNGR-UHFFFAOYSA-N 433.424 4.096 5 20 IIBD O=[N+]([O-])c1ccccc1C[C@H](NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)C1CC1 537965166 XXJBLDOWAOTBBJ-HNNXBMFYSA-N 439.825 4.421 5 20 IIBD Cc1cc(F)c(NC(=O)CCNc2ccccc2[N+](=O)[O-])c(I)c1 538932493 JYBYVUIHZGAJLB-UHFFFAOYSA-N 443.216 4.088 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 539141058 FRMJTQKGVGJMEJ-ORAYPTAESA-N 448.317 4.201 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cccc(-c3ncn(C)n3)c2)cc1 541244395 NERZFSHVFPKABJ-UHFFFAOYSA-N 445.435 4.444 5 20 IIBD C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1F 541583907 KHHIONAKCITKBD-LBPRGKRZSA-N 441.381 4.332 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H](c1cccs1)N1CCCC1 542335838 CVHBORFRIPWOME-OAHLLOKOSA-N 425.963 4.355 5 20 IIBD CCO[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)[C@]12CCCO2 546757665 FKFBOANQTPHGJE-TUNNFDKTSA-N 428.510 4.202 5 20 IIBD CC[C@H](C)c1nnc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1Cc1cccs1 549569251 KEOFPASGSOGXPP-INIZCTEOSA-N 426.546 4.136 5 20 IIBD CN(Cc1ccc(Cl)s1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 550089443 MWMYPCBTYRYONY-ZDUSSCGKSA-N 433.921 4.241 5 20 IIBD Cc1cc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)ccc1-c1ccncc1 552898610 YJZBLLQURQXPGO-UHFFFAOYSA-N 432.436 4.292 5 20 IIBD COC(=O)c1cc(F)c(Br)cc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F 554765101 MDCLRQBVZVKSOM-MRVPVSSYSA-N 443.200 4.164 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)NCc2ccc(-c3cccnc3)cc2)cc1[N+](=O)[O-] 556563815 HLNDAVRHWGJZFF-UHFFFAOYSA-N 432.480 4.209 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1n[nH]c(-c2ccccc2Cl)n1 559577287 IOXCQAYVUPDVJF-UHFFFAOYSA-N 436.653 4.357 5 20 IIBD CCc1ccc(-c2ccc(C(=O)N3CCN(C(=O)c4ccccc4[N+](=O)[O-])CC3)o2)cc1 563994249 JWCMVGPKPJHFIN-UHFFFAOYSA-N 433.464 4.015 5 20 IIBD CCCc1c(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cnn1-c1cccc(F)c1 564420857 GRHPKTKXUHAXNE-UHFFFAOYSA-N 439.447 4.299 5 20 IIBD O=C(NCc1ccc(Oc2cccc(F)c2)nc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 578476066 VLBPJPLOXXTILS-UHFFFAOYSA-N 438.415 4.025 5 20 IIBD Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N(C)c1ccc([N+](=O)[O-])nc1 578796690 OQGIGVRTGROBJY-UHFFFAOYSA-N 434.283 4.305 5 20 IIBD C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](C)c1noc(-c2ccc(Cl)cc2)n1 583532955 YIUBATOWEUCBPO-CHWSQXEVSA-N 429.864 4.366 5 20 IIBD O=[N+]([O-])c1ccc2nc(CNC3(c4cccc(Br)c4)CCOCC3)[nH]c2c1 583973623 JHOKFGRFTNTUSX-UHFFFAOYSA-N 431.290 4.029 5 20 IIBD O=[N+]([O-])c1ccc(CCNC2(Cc3ccc(F)cc3Br)CCOCC2)cc1 584245248 VORBSARTWGMFSV-UHFFFAOYSA-N 437.309 4.420 5 20 IIBD COc1cc(C(F)(F)F)ncc1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 585748760 GJIIOQCWRLKZTA-UHFFFAOYSA-N 434.168 4.340 5 20 IIBD NC(=O)Nc1ccc(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1 591607550 KMWFRQWXCBUOQE-UHFFFAOYSA-N 440.843 4.461 5 20 IIBD CC(C)(C)c1ccc(Oc2ccc([C@@H]3NC(=O)[C@@H]4CSCCN43)cc2[N+](=O)[O-])cc1 602757611 NSKDYLHTXHQTSJ-AZUAARDMSA-N 427.526 4.230 5 20 IIBD Cc1ncc2c(n1)CCN(C(=O)c1ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c1)C2 603670810 PLDPYZPWGOWZSB-UHFFFAOYSA-N 437.887 4.157 5 20 IIBD C[C@@H](NC(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1cccc([N+](=O)[O-])c1 603907565 URZCPCRWFQUKAU-GFCCVEGCSA-N 429.527 4.219 5 20 IIBD O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 604416336 SXWDWAIAFMLQPV-UHFFFAOYSA-N 448.420 4.404 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)cc1[N+](=O)[O-] 609018432 ZJYMBWHIXJADDE-FQEVSTJZSA-N 443.569 4.180 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N(Cc1ccco1)c1ccccc1 609027206 YGMUJWGTALZGHJ-UHFFFAOYSA-N 437.271 4.346 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N(Cc1ccccc1OC(F)(F)F)C1CCCC1 609175631 PYGSBFBTHDNJMC-UHFFFAOYSA-N 440.422 4.360 5 20 IIBD COCc1cccc2sc(NC(=O)c3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])nc12 609186777 PFCZZRRMDCFVDB-UHFFFAOYSA-N 439.396 4.213 5 20 IIBD Cc1ccc(Cn2nccc2NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 609346791 SWISAKYUJVNHCV-UHFFFAOYSA-N 444.495 4.262 5 20 IIBD CC(C)(C)c1cc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n(-c2ncccn2)n1 609407775 VKZFLIJKGWMUDF-UHFFFAOYSA-N 449.496 4.244 5 20 IIBD O=C(CN1CCCCCC1=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 609791678 LYXXWRSTGKMUES-UHFFFAOYSA-N 449.866 4.198 5 20 IIBD C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 611220402 DABBEYTZKIVBQJ-OAHLLOKOSA-N 447.520 4.272 5 20 IIBD O=[N+]([O-])c1ccc2ncnc(Sc3nnc(-c4cccs4)n3C[C@H]3CCCO3)c2c1 611700018 MBBRZQPCFDBSSR-CYBMUJFWSA-N 440.510 4.188 5 20 IIBD O=[N+]([O-])c1ccc2nc(CN3CCc4[nH]c5c(Br)cccc5c4C3)[nH]c2c1 618286827 MNGXWSANENOWPV-UHFFFAOYSA-N 426.274 4.273 5 20 IIBD O=C(OCCn1cncn1)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 727178334 KKOXRSHLGNARHK-UHFFFAOYSA-N 438.387 4.213 5 20 IIBD Cc1ccc(F)c(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 727214045 RORXUJQMZUJSTM-LBPRGKRZSA-N 429.429 4.350 5 20 IIBD CC[C@H](OC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1cccc(Br)c1 727960332 DLUGQXWJFOLIFU-INIZCTEOSA-N 442.287 4.069 5 20 IIBD Cc1nc(-c2ccccc2)[nH]c1C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 728727038 GSZKKIHZGZNZNE-GFCCVEGCSA-N 428.832 4.131 5 20 IIBD COc1ccccc1[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)c1nccn1C 729045239 OUJJVQJPHOXJFH-OAQYLSRUSA-N 437.500 4.047 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccnc1-n1cnc2ccccc21 729279293 SAPUILRBQMIUOA-OAHLLOKOSA-N 433.493 4.126 5 20 IIBD C[C@H]([C@H](OC(=O)CCC1CC1)c1ccccc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 734314087 MCMOPZJENDELIQ-ZHRRBRCNSA-N 446.525 4.079 5 20 IIBD O=C(COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)Nc1cc(C2CC2)nn1-c1ccccc1 736863829 NHEXDWGRKHTKRO-UHFFFAOYSA-N 440.843 4.107 5 20 IIBD CCc1ccc([C@@H]2CCCCCN2C(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)o1 739611219 BVFJOLXSQDCXEN-KXBFYZLASA-N 443.475 4.386 5 20 IIBD CC(C)c1ccc(C(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cc1 744645114 OUQJBJHDXAZPMP-WMLDXEAASA-N 442.443 4.025 5 20 IIBD O=C(O[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 744826050 OXCOPGREZXVZIT-KRWDZBQOSA-N 445.378 4.030 5 20 IIBD O=C(NC1(c2noc([C@H]3CCOC3)n2)CCCCCC1)c1cc([N+](=O)[O-])ccc1Cl 749166028 LOXYHEJAVCLVAH-ZDUSSCGKSA-N 434.880 4.115 5 20 IIBD C[C@@H](OC(=O)c1cccc2cnccc12)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 750367385 CVWLVTJCZKBWRL-CYBMUJFWSA-N 448.460 4.451 5 20 IIBD CN(Cc1ccccc1-c1ccccc1)C(=O)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 751266308 KUMCNFFURKTIPS-UHFFFAOYSA-N 449.419 4.213 5 20 IIBD O=C(COc1cc(F)c(Cl)cc1[N+](=O)[O-])N1N=C(c2ccco2)C[C@H]1c1ccco1 752910984 OCSKDSUSPCYYPC-AWEZNQCLSA-N 433.779 4.330 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2ccc(=O)n(Cc3ccccc3)c2)cc1[N+](=O)[O-] 753037689 APATUSFRBRASII-UHFFFAOYSA-N 442.269 4.128 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1[N+](=O)[O-] 753110526 JOLCQCZDBUZPRC-UHFFFAOYSA-N 434.290 4.446 5 20 IIBD Cc1ccc(NC(=O)COC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c(Cl)c1 753129497 BALNPTAQNXMKRS-UHFFFAOYSA-N 441.665 4.423 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCCO)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 753213731 IONOMSRYKSFQNV-AWEZNQCLSA-N 440.443 4.328 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)Nc1ccccc1OC(F)F 754987174 LESXWCSFJFHNMY-QMMMGPOBSA-N 432.738 4.173 5 20 IIBD Cc1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c(C)n1CC(F)(F)F 754991746 ZEKXZHVHBOLLBP-UHFFFAOYSA-N 436.745 4.408 5 20 IIBD Cc1cc(CN[C@@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)O)cc(C)c1OC(F)F 756382042 YEJXJDGPPFKFKI-SFHVURJKSA-N 433.411 4.080 5 20 IIBD Cc1ccc(NC(=O)Cc2nc(COC(=O)CCc3cccc([N+](=O)[O-])c3)cs2)cc1 756532585 AUOKKLMRVHZRDG-UHFFFAOYSA-N 439.493 4.217 5 20 IIBD O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NCc1cc([N+](=O)[O-])ccc1Cl 756994211 RVUJUZWVJDCQMW-NRFANRHFSA-N 437.883 4.426 5 20 IIBD CC[C@@H]1CN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC[C@H]1NC(=O)OC(C)(C)C 757044501 YYEZPHCNHTYLBG-CXAGYDPISA-N 440.928 4.083 5 20 IIBD C[C@H](OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)Nc1cc(Cl)ccc1Cl 758737525 FYRAVCMGFMCDRY-JTQLQIEISA-N 436.251 4.496 5 20 IIBD CN(C)c1ccc(C2CCN(C(=O)c3cccc([N+](=O)[O-])c3Br)CC2)cc1 759204502 YQKCPQCGNVDBNV-UHFFFAOYSA-N 432.318 4.443 5 20 IIBD COc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)NCCc2cccc([N+](=O)[O-])c2)c1 759677208 BJCFNPWVGBXSSW-DEOSSOPVSA-N 449.507 4.091 5 20 IIBD CC(C)(C)OC(=O)N1CCc2cc(NC(=O)NCCc3cccc([N+](=O)[O-])c3)ccc21 759934633 NRMXWPXNCYCYCR-UHFFFAOYSA-N 426.473 4.257 5 20 IIBD CC(C)(C)OC(=O)N1CCC(c2noc(-c3cc(O)nc4ccc([N+](=O)[O-])cc34)n2)CC1 761756555 FEXROKCLMIZLTQ-UHFFFAOYSA-N 441.444 4.013 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)OC[C@H]1COC(=O)O1 763909887 SJEJDFYRNBDZSO-IDJPSDCMSA-N 440.433 4.214 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)c1ccc([N+](=O)[O-])c(Cl)c1 764198535 MIEQXJWBWCWBNB-UHFFFAOYSA-N 434.832 4.472 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(CN(C)C(=O)C(F)(F)F)c1 764982357 PBYZEPVLTJWSJQ-MRXNPFEDSA-N 437.418 4.323 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 765839181 LFRHLLLTRWPBQX-QFBILLFUSA-N 435.546 4.349 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 766362040 XVGYFAVVWKJQBR-UHFFFAOYSA-N 444.469 4.291 5 20 IIBD O=C(OCc1nc(-c2ccc(F)c(F)c2)no1)c1ccc([N+](=O)[O-])cc1Br 768026215 DJHKSFGHYVSECO-UHFFFAOYSA-N 440.156 4.043 5 20 IIBD CCCCCCNC(=O)Cc1noc(-c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)n1 771163753 XTAHGNKGQPDDNW-UHFFFAOYSA-N 429.521 4.120 5 20 IIBD CCOC(=O)C1CCN(C(=O)c2ccc(NCc3ccc([N+](=O)[O-])c(Cl)c3)cc2)CC1 775193661 SHZCCFAQQLJQPI-UHFFFAOYSA-N 445.903 4.276 5 20 IIBD O=C(Oc1cc(Cl)cnc1Br)c1ccc([N+](=O)[O-])cc1Br 775511282 ZKQATFHXGCCDBC-UHFFFAOYSA-N 436.443 4.387 5 20 IIBD O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1ccccc1NCc1cccnc1 776080238 GWKJGEHKHLLJIN-UHFFFAOYSA-N 447.495 4.070 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)Nc2ncc(C3CCCCC3)s2)cc1[N+](=O)[O-] 777685047 XTJNSANZZWDFFO-UHFFFAOYSA-N 440.503 4.078 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2-c2ccccc2)cc1[N+](=O)[O-] 777844060 YESBTKIRGIXKDI-UHFFFAOYSA-N 428.422 4.208 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)c1ccc(NC(=O)c2cnoc2C)cc1O 778807011 IKOAMFPYMBGHIF-LBPRGKRZSA-N 425.397 4.076 5 20 IIBD Cc1c(C(=O)N[C@H](c2ccccc2OC(F)F)C(F)(F)F)cc([N+](=O)[O-])cc1[N+](=O)[O-] 779460178 ZJWOUKIFQALCOP-CQSZACIVSA-N 449.288 4.446 5 20 IIBD COc1cc(COC(=O)Cc2cn(C)c3ccccc23)c([N+](=O)[O-])cc1OCC(F)F 780064921 OWNATZLXYPDUFN-UHFFFAOYSA-N 434.395 4.025 5 20 IIBD Cc1c(C(=O)OC[C@@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])cnn1C1CCCCC1 781455648 IHWQSKUEWPHXQH-SFHVURJKSA-N 440.500 4.067 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cccc(COCc2ccco2)c1 781604119 DYANZPZDQZUWEW-UHFFFAOYSA-N 425.397 4.384 5 20 IIBD Cc1nn(Cc2ccc(C(=O)OCc3cncn3Cc3ccccc3)cc2)c(C)c1[N+](=O)[O-] 782539905 GDZBKNFEXBKBTC-UHFFFAOYSA-N 445.479 4.058 5 20 IIBD CCN1CCN(c2ccc(NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 783757247 PJDFRLNJUFNRGM-UHFFFAOYSA-N 434.949 4.121 5 20 IIBD O=C(OCCOCC(F)(F)C(F)F)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 787796252 LIHYBGSFGLQZDI-UHFFFAOYSA-N 433.304 4.033 5 20 IIBD Cc1cnc(COC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)c1[N+](=O)[O-] 789670533 GGLYJSDZGSCTQK-UHFFFAOYSA-N 445.375 4.369 5 20 IIBD COc1ccc(CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc3nc(O)[nH]c3c2)cc1 792874636 WSYWGOATCLMPAP-UHFFFAOYSA-N 449.423 4.300 5 20 IIBD CCn1c(SCc2c(Cl)ncnc2N(C)C)nc2cc3ccccc3cc2c1=O 795199943 HFABZTVUTWIKJV-UHFFFAOYSA-N 425.945 4.371 5 20 IIBD CCCc1[nH]nc(C(=O)O[C@H](C(=O)Nc2cc(Cl)ccc2Cl)C(C)C)c1[N+](=O)[O-] 796260832 WKJPPORZIJKDRT-INIZCTEOSA-N 443.287 4.397 5 20 IIBD COc1c(C(=O)OC[C@@H]2CCC(=O)N(C)[C@H]2c2cccc(Cl)c2)cccc1[N+](=O)[O-] 796724005 GTIPWKZTUCADON-LIRRHRJNSA-N 432.860 4.023 5 20 IIBD Cc1nc(SC(F)F)sc1CC(=O)O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 796768198 ZSFKUUHHEZWCFN-MNOVXSKESA-N 432.474 4.141 5 20 IIBD COc1ccc(C2=NO[C@@H](CNC(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)C2)cc1F 801360354 CLLIPHKOTLACKU-OAHLLOKOSA-N 447.488 4.166 5 20 IIBD CC1(C)CN(S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])[C@H]1c1cccs1 805149653 LCYSJFGDVYNNIQ-AWEZNQCLSA-N 449.323 4.330 5 20 IIBD O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)Nc1ccc(-c2ccccc2)cc1 808968215 NEQRVOVNDPTOPL-UHFFFAOYSA-N 428.448 4.041 5 20 IIBD C[C@@H](C(=O)N1CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1cccc([N+](=O)[O-])c1 810950116 XEGARZFXWOENBM-VQIMIIECSA-N 431.533 4.194 5 20 IIBD O=C(Nc1cccc(C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1)NC1CC1 811219011 PPTYRQLPNXQJMQ-UHFFFAOYSA-N 438.465 4.359 5 20 IIBD COc1ccccc1[C@H](C)NC(=O)[C@H](C)OC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811375248 WVKOIOWJRBHGOD-QWRGUYRKSA-N 441.267 4.333 5 20 IIBD CCOC(=O)[C@H](Cc1ccccc1)N(C)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 812983657 ZZWGXWMTHKWKCD-INIZCTEOSA-N 425.268 4.148 5 20 IIBD Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813242588 RBGMWVKNDNVGNV-INIZCTEOSA-N 438.267 4.072 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N(CC1CCOCC1)c1ccc(Br)cn1 813378805 ZZFOYZMKXXJWHP-UHFFFAOYSA-N 448.317 4.145 5 20 IIBD CC(C)(O)CN1CCc2c(cccc2NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 813516781 BYGUGXQLFVXPDG-UHFFFAOYSA-N 438.311 4.283 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ncc1Br)c1ccc(Oc2cccnc2)cc1 813819084 AEYNHYVLYHWTOX-LBPRGKRZSA-N 443.257 4.431 5 20 IIBD CCc1cccc(CC)c1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F 814484209 VMKJFTSQXCMCLM-CYBMUJFWSA-N 431.464 4.109 5 20 IIBD CCc1nc(C(C)C)ccc1COC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 815172253 PRQKPGNMJIXNJS-UHFFFAOYSA-N 441.513 4.312 5 20 IIBD O=[N+]([O-])c1ccc(Br)c2c1CN(Cc1conc1Cc1ccccc1)CC2 816603552 KUBLIOCILRJBSP-UHFFFAOYSA-N 428.286 4.494 5 20 IIBD COc1ccc(CN(C)C(=O)[C@@H](OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(C)C)cc1 877053896 ZLMBVRJHXQONOC-IBGZPJMESA-N 434.876 4.097 5 20 IIBD Cc1cc([C@@H]2CCCN2c2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])no1 913047201 RYRQQZRQJKNWSL-SFHVURJKSA-N 428.470 4.034 5 20 IIBD COc1cc(COC(=O)c2csc(Br)c2)c([N+](=O)[O-])cc1OC(F)F 913370277 NSPZFDCGHOECEB-UHFFFAOYSA-N 438.202 4.386 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cc(Cl)ccc1Br 914799277 RXIDAZHBYQEEBA-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD C[C@H](Oc1cccc(Cl)c1Cl)C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 915499528 SXJNNAPVOCBRHK-JTQLQIEISA-N 438.223 4.462 5 20 IIBD COc1cccc(OC)c1Oc1ccc(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cn1 917089971 RCTXVOPQADANGJ-UHFFFAOYSA-N 426.385 4.320 5 20 IIBD Cc1ccc(CNC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cc1F 917257144 JXNVUBGCVSSUCO-UHFFFAOYSA-N 438.411 4.308 5 20 IIBD C[C@@H](Oc1ccc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cn1)c1ccccc1 917263515 CUAXNRGJDINYAJ-OAHLLOKOSA-N 436.420 4.353 5 20 IIBD O=C(NCCOC(=O)c1cccc2c3c([nH]c12)CCCC3)c1ccc([N+](=O)[O-])cc1Cl 920147565 FOGGTEXNBBSONL-UHFFFAOYSA-N 441.871 4.195 5 20 IIBD C[C@@H](Cc1ccc(F)cc1)C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 921114707 MMXAHSUELNKWQR-NSHDSACASA-N 428.338 4.113 5 20 IIBD Cc1c(C(=O)Oc2cc(Cl)ccc2[N+](=O)[O-])sc2nc3n(c(=O)c12)CCCCC3 921140415 POHLAGSIOABJQB-UHFFFAOYSA-N 433.873 4.274 5 20 IIBD C[C@@H](OC(=O)CSc1ccccc1[N+](=O)[O-])C(=O)N(C)Cc1c(F)cccc1Cl 923403370 QXYBCKJZACFJBA-GFCCVEGCSA-N 440.880 4.070 5 20 IIBD COc1ccc(CCc2nnc(-c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)o2)cc1 1261427235 QYUBTNHHHZIGAR-UHFFFAOYSA-N 433.468 4.300 5 20 IIBD O=[N+]([O-])c1cc(-c2nnc(CCN3CCN(c4ccccc4)CC3)o2)cc(C(F)(F)F)c1 1261568898 MGPPEQNVUOOSBN-UHFFFAOYSA-N 447.417 4.028 5 20 IIBD COC(=O)c1nc([C@@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2Br)sc1C 1321460282 HMUHNSQYGOLZHO-AWEZNQCLSA-N 440.319 4.246 5 20 IIBD COc1cc(CN[C@](C)(C(=O)O)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 1331923978 FNDHVXQMKQMSMG-DEOSSOPVSA-N 436.464 4.272 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(Cl)c1 1518405615 UVWVIXCSKXMZDD-CQSZACIVSA-N 430.766 4.301 5 20 IIBD Cc1cncc(C(=O)NC2(c3ccc(NC(=O)Cc4cccc([N+](=O)[O-])c4)cc3)CCC2)c1 1785792873 ZZTATINKZUIKLL-UHFFFAOYSA-N 444.491 4.289 5 20 IIBD O=C(/C=C/C1CC1)Nc1ccc(C2(NC(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)CCC2)cc1 1786160928 MRRUTLYOZBXYFC-NYYWCZLTSA-N 445.479 4.185 5 20 IIBD Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])o4)CCC3)cc2)n1 1786733825 VGZWIHFNYVVGPC-UHFFFAOYSA-N 448.479 4.272 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(F)c4[N+](=O)[O-])CCC3)cc2)no1 1787467990 GDGNASFTUOBCFK-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(O)c([N+](=O)[O-])c4)cc3)CCC2)o1 1790617240 OLUBEQPIITZXHR-UHFFFAOYSA-N 435.436 4.263 5 20 IIBD CO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3C)CCC2)cc1 1791633219 WDMIRMDWLPDOKC-AWEZNQCLSA-N 445.903 4.339 5 20 IIBD Cc1csc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CSc2ccccc2[N+](=O)[O-])C3)c1 1793746595 DNSUOFHYJNXOKV-MUJYYYPQSA-N 445.566 4.009 5 20 IIBD CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(F)c1[N+](=O)[O-])C2)c1ccccc1 1795458557 YCNFHKRVFIHMPG-FCGDIQPGSA-N 439.487 4.180 5 20 IIBD CC1(C)CCC(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C3)CC1 1800227828 OUZFZMWVUFJZFX-WKCHPHFGSA-N 441.572 4.382 5 20 IIBD CC(C)Cc1ccc(C(=O)N2CCCC23CN(C(=O)c2cccc(F)c2[N+](=O)[O-])C3)cc1 1845465242 NOPLVDNRDCQWOR-UHFFFAOYSA-N 439.487 4.063 5 20 IIBD Cc1c(C(=O)N2CCCC23CN(C(=O)[C@H](C)c2cccs2)C3)cc(Cl)cc1[N+](=O)[O-] 1845500188 YTESQJKSFAMZPA-CQSZACIVSA-N 447.944 4.239 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Sc2nc3cc4ccccc4cc3c(=O)n2C)cc1OC 18591137 FNNWSQSXCWXUMN-AWEZNQCLSA-N 449.532 4.223 5 20 IIBD C[C@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)Nc1cccc([N+](=O)[O-])c1 22253163 PBKWYMBHFPGLFI-ZDUSSCGKSA-N 434.477 4.114 5 20 IIBD C[C@@H](OC(=O)COc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1Cc1ccccc1 22478144 YFOLRDIGJMJISP-QGZVFWFLSA-N 434.448 4.135 5 20 IIBD COC(=O)c1ccoc1COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 23446646 IANSZBRRKKZGSA-UHFFFAOYSA-N 443.795 4.216 5 20 IIBD O=C(CCSc1nnc(-c2ccccc2F)n1C1CC1)Nc1ccc([N+](=O)[O-])cc1 26252091 JBXHIAJRYQEJFA-UHFFFAOYSA-N 427.461 4.448 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)Cc1coc2ccc3ccccc3c12 28918331 FLFSPFIXGKONHZ-UHFFFAOYSA-N 434.404 4.227 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc1[N+](=O)[O-] 31888304 SXYRSKHVFFYFJY-JOCHJYFZSA-N 446.525 4.121 5 20 IIBD COc1ccc2[nH]cc(C3=CCN(S(=O)(=O)c4cc([N+](=O)[O-])cc(C)c4C)CC3)c2c1 32444603 BEMVWPZIKSKFBO-UHFFFAOYSA-N 441.509 4.180 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cn(Cc2ccccc2)nc1-c1ccccc1 65124117 VVVAGSBTFNMMPU-UHFFFAOYSA-N 426.476 4.479 5 20 IIBD O=C(NCc1ccc(CN2CCCCCC2)cc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 109407360 HPYBROJGVNVQRN-UHFFFAOYSA-N 433.512 4.087 5 20 IIBD COc1cc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)c([N+](=O)[O-])cc1OC(F)F 115379395 WTHMVMPAIAVSJY-UHFFFAOYSA-N 449.410 4.083 5 20 IIBD CCOc1ccc(C(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)cc1[N+](=O)[O-] 116494053 VVPPFPRGHRLEIY-INIZCTEOSA-N 440.431 4.202 5 20 IIBD O=C(Nc1cc(Cl)ccc1O)C1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1 301098336 PJFGHGLBSFVZCD-UHFFFAOYSA-N 426.860 4.357 5 20 IIBD O=c1c(Cl)c(NC[C@H](O)c2ccc3ccccc3c2)cnn1-c1ccc([N+](=O)[O-])cc1 301184579 SYNPRZWRAYCKEA-FQEVSTJZSA-N 436.855 4.093 5 20 IIBD CC(C)[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1ccc2c(c1)OCCO2 301716382 HCFDTMPFKIGVIW-QFIPXVFZSA-N 425.485 4.411 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](CC1CC1)c1cc(F)cc(Br)c1 426338814 IDGZURIVEQXPIJ-INIZCTEOSA-N 439.285 4.049 5 20 IIBD CCn1c([C@@H]2CCCN2C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)nc2ccccc21 428019401 DQGOIJLNPPSFPH-FQEVSTJZSA-N 445.479 4.255 5 20 IIBD COc1cc(C(=O)NC[C@H](C)Oc2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC(F)F 428265801 AEAPDHRGBNRPBP-JTQLQIEISA-N 430.791 4.056 5 20 IIBD CCC[C@@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)c1ccccc1 430358736 PEWQNMOZGLEBJW-OAHLLOKOSA-N 434.290 4.262 5 20 IIBD CC(=O)N(Cc1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1)C1CC1 430612422 RFTRSUZZGBIEDW-UHFFFAOYSA-N 432.274 4.121 5 20 IIBD C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc2N(Cc2ccccc2)C1=O 430812817 FZCBYPSYAVGMNG-SFHVURJKSA-N 429.476 4.353 5 20 IIBD Cc1c(NC(=O)c2ccc(CNC(=O)NC(C)C)cc2)cc(Br)cc1[N+](=O)[O-] 431226819 XURTXBYZRHXJJQ-UHFFFAOYSA-N 449.305 4.126 5 20 IIBD O=[N+]([O-])c1ccc(N2CCO[C@@H](c3ccccc3)C2)nc1N1CCO[C@@H](c2ccccc2)C1 433608393 KBEABHPKDKMDND-DHIUTWEWSA-N 446.507 4.146 5 20 IIBD O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 435828722 WUDBWMCURDEQHN-IBGZPJMESA-N 437.446 4.119 5 20 IIBD COc1ccccc1N1CC[C@@H](CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 436286787 BWUQEOAVRXPHGV-INIZCTEOSA-N 445.494 4.085 5 20 IIBD CC(C)(NC(=O)C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1)c1ccccc1[N+](=O)[O-] 436777173 BQAWTYBKKCSUIQ-NRFANRHFSA-N 447.491 4.213 5 20 IIBD CCN(CC)C(=O)COc1cccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 437389511 ISNSLBSXOWJMLL-UHFFFAOYSA-N 440.500 4.039 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 441079940 OHCWWXMDFVTSRN-RYUDHWBXSA-N 428.436 4.277 5 20 IIBD Cc1cc(N2CCNC2=O)ccc1NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 441477344 UUMYDCQYCSVDPQ-UHFFFAOYSA-N 431.452 4.429 5 20 IIBD C[C@@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1ccccc1-n1cccn1 444226034 OECLFGLNEVRBJU-OAHLLOKOSA-N 426.451 4.497 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NC1CCN(Cc2ccncc2)CC1 447669515 GKNFFMMAAOJRJH-UHFFFAOYSA-N 431.365 4.115 5 20 IIBD CN(C)[C@H]1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)nc2)C1 448181783 WFERNMPWKCYXRB-IBGZPJMESA-N 447.495 4.175 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 461425437 JAPZPXHOSOLGLY-RTBURBONSA-N 425.554 4.301 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(c1nnc(-c3ccccc3F)n1C[C@@H]1CCCCO1)CC2 461823569 AKFSULVCZUCDAN-IBGZPJMESA-N 437.475 4.124 5 20 IIBD CC1(C)[C@H](Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])[C@@H]2CCCO[C@H]21 462916262 ZRPJNSNEEUNJPA-PWIZWCRZSA-N 431.514 4.011 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1 462999495 YBYNENNXFAUMBR-FPOVZHCZSA-N 439.556 4.180 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 463433325 JJROKPDFHYQHEW-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD Cc1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c2cnn(Cc3cccs3)c2n1 466283428 PSQUCPJZOMMHRV-UHFFFAOYSA-N 441.900 4.341 5 20 IIBD O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1cccc(Br)c1)C1CCOCC1 468156215 XACVCXAQZUVBQK-UHFFFAOYSA-N 433.302 4.108 5 20 IIBD O=C(Nc1nnc(-c2cc3ccccc3o2)s1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 470367524 PNBBXHZUNPERER-UHFFFAOYSA-N 432.421 4.298 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCO[C@]4(CCO[C@H]4C)C3)cc2[N+](=O)[O-])cc1 470674240 KETFIGDUHFZEMU-KSFYIVLOSA-N 428.510 4.074 5 20 IIBD O=[N+]([O-])c1cnn(CCSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)c1 470844869 MPAMFPKGABPJJW-UHFFFAOYSA-N 426.889 4.485 5 20 IIBD CC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1)c1ccccc1OCC(=O)N1CCCC1 473783952 DYXSNDQPRJQAMJ-IBGZPJMESA-N 440.500 4.177 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CCc3c(cccc3C(C)C)C2)ccc1[N+](=O)[O-] 476090740 MDFIWDVPVXKDJV-HSZRJFAPSA-N 435.524 4.216 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccc(F)c(NC(N)=O)c2)cc1[N+](=O)[O-])c1ccccn1 478386199 FUUPIQBHCOGCDJ-LBPRGKRZSA-N 438.419 4.045 5 20 IIBD COc1ccc(CSCC(=O)Nc2cnn(-c3ccc(Cl)cc3)c2)cc1[N+](=O)[O-] 479288233 UNPKGFMGMBSKQK-UHFFFAOYSA-N 432.889 4.314 5 20 IIBD CC(C)n1cc2c(n1)C[C@@H](NC(=O)c1ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c1)CC2 481891359 JSNKTUFGEZMNSX-APWZRJJASA-N 448.527 4.228 5 20 IIBD C[C@@H](O)[C@@](C)(CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccccc1 482120596 JFDXUXQUFUZDCG-IVZQSRNASA-N 425.510 4.078 5 20 IIBD CCN(CCc1ccccc1)C(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] 483159807 RQGSIHHUMMEBDP-UHFFFAOYSA-N 441.509 4.344 5 20 IIBD CSc1cccc(C(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)cs2)c1[N+](=O)[O-] 485752793 TZIAWEJPADOMME-UHFFFAOYSA-N 448.551 4.390 5 20 IIBD CC(C)[C@@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])C(=O)OC(C)(C)C 486333186 ICZCOYLTUGPPFB-HXUWFJFHSA-N 428.485 4.270 5 20 IIBD O=C(N=c1cc[nH]cc1Br)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 486421334 ASRVYRLIBKBKBS-UHFFFAOYSA-N 428.242 4.006 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2nncn2C2CC2)C1 487076087 QHKCLULYWSRAQU-OAHLLOKOSA-N 429.546 4.289 5 20 IIBD Cc1nc(N2CCC(c3nc(-c4ccccc4Br)no3)CC2)ccc1[N+](=O)[O-] 487138570 NNGXXOFGZZDHRN-UHFFFAOYSA-N 444.289 4.495 5 20 IIBD O=C(Nc1ccc(CCC(=O)N2CCCC2)cc1)c1cc([N+](=O)[O-])ccc1OC(F)F 487780702 ICBRFPINBCAGGY-UHFFFAOYSA-N 433.411 4.004 5 20 IIBD Cc1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1C(=O)N(C)C(C)C 488232427 OXHIYSATZIFNCA-UHFFFAOYSA-N 434.290 4.398 5 20 IIBD O=C(Nc1ccc(F)cc1OC1CCOCC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 488708690 PIVLHTMHFPUFMS-UHFFFAOYSA-N 429.448 4.488 5 20 IIBD O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)c1coc(-c2ccc(Br)cc2F)n1 489184425 LGVMANHHYOEQHX-UHFFFAOYSA-N 446.192 4.280 5 20 IIBD CCn1c(S[C@H](C)C(=O)c2ccc(OC)c(OC)c2)nnc1-c1ccc([N+](=O)[O-])cc1 489400571 HXBIQJUXFIDVES-CYBMUJFWSA-N 442.497 4.254 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)c(C)c([N+](=O)[O-])c1 489765261 XDEVDTCVBILCFH-UHFFFAOYSA-N 442.859 4.398 5 20 IIBD CCCOc1c(Cl)cc(C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)cc1OCC 490364015 IKMUYODTRFZJII-UHFFFAOYSA-N 445.863 4.473 5 20 IIBD COc1cc(-c2noc(CN(Cc3ccc([N+](=O)[O-])cc3)C3CC3)n2)ccc1OC(F)F 490791152 BRWBQGUYIGVGCQ-UHFFFAOYSA-N 446.410 4.419 5 20 IIBD C[S@](=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1F 495313662 ZEZQKPDMXUKELT-PMERELPUSA-N 427.457 4.336 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCOC[C@H]1c1nc2ccccc2s1 500707007 BQKMZDFMICAGLT-HNNXBMFYSA-N 448.298 4.181 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1CSc1nnc(N2CCOCC2)n1Cc1ccccc1 501131761 FUERGPDTGLHRQK-UHFFFAOYSA-N 445.932 4.017 5 20 IIBD CC(C)(COc1ccc(C(F)(F)F)cn1)NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 502273502 WJMMXKOHHDZEFI-UHFFFAOYSA-N 437.378 4.006 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCOC[C@@H]1c1nc2ccccc2s1 507506276 SXANXZNUUIXHGK-QGZVFWFLSA-N 446.916 4.184 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccnc1OCC(F)(F)F 509261119 AUSVJXJQCXIRSV-UHFFFAOYSA-N 426.395 4.051 5 20 IIBD Cc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])cc(I)c2C)s1 509508392 PLCBEKNBQMSSDH-UHFFFAOYSA-N 430.267 4.150 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N[C@@H](Cc1ccccc1)c1ccccc1 518131104 GLJABQNBRZLMJQ-IBGZPJMESA-N 437.883 4.078 5 20 IIBD CC1CCN(C[C@H](O)CNCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 518285077 GIDBEIRZASFYLF-LJQANCHMSA-N 433.936 4.223 5 20 IIBD Cc1cc(S(=O)(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)ccc1[N+](=O)[O-] 523979642 PZEMJPILWSIVBX-NDEPHWFRSA-N 436.555 4.285 5 20 IIBD CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 532927077 HZDBRDLWEWNBEH-WMZOPIPTSA-N 435.267 4.042 5 20 IIBD Cc1c(NC(=O)[C@H](C)N2CCC(C(=O)c3cc(F)ccc3F)CC2)cccc1[N+](=O)[O-] 533242359 ULRWBEOIXAZFEP-AWEZNQCLSA-N 431.439 4.103 5 20 IIBD O=C(CCn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O)Nc1ccc(Oc2ccccc2)cc1 533675844 ZZXUMRPATACSKG-UHFFFAOYSA-N 446.419 4.233 5 20 IIBD NC(=O)c1cccc(Oc2ccc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)cc2)c1 533941297 HSRCQYFGNMBNSL-UHFFFAOYSA-N 430.420 4.149 5 20 IIBD CN1CC[C@@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)[C@@H]1c1ccc(Cl)c(F)c1 534230621 YQISTYBKMWSJAL-AOMKIAJQSA-N 444.894 4.151 5 20 IIBD COc1ccccc1[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccccn1 534840894 ONMOIWSEIMWJIM-LJQANCHMSA-N 442.269 4.280 5 20 IIBD O=C(NCCCOc1ncc(C(F)(F)F)cc1Cl)c1c[nH]c2cccc([N+](=O)[O-])c12 536515687 XTDIYWRTKZLNMK-UHFFFAOYSA-N 442.781 4.342 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(Cc2c(C)noc2C)CC1 537482519 RNZVSKJCEXJBBH-UHFFFAOYSA-N 432.546 4.050 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2CCO[C@@H](C(C)C)C2)cc1[N+](=O)[O-] 537922560 MUNWUCYNHGRALJ-OXQOHEQNSA-N 442.537 4.481 5 20 IIBD COc1cc(CN2CC[C@@H](CN3CCCCC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 538751123 QKBLNQAORLRFEY-QFIPXVFZSA-N 439.556 4.490 5 20 IIBD Cc1cc(F)c(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c(I)c1 538905293 PYGZNFIXIYYTTP-UHFFFAOYSA-N 443.216 4.311 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 539552665 RKFHKRHOKMSONP-VBKZILBWSA-N 449.866 4.333 5 20 IIBD C[C@@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccc([S@@](C)=O)cc1 539642359 RTYQRYFKLOUJMX-RKXCMPKHSA-N 437.521 4.435 5 20 IIBD COCCN(C(=O)[C@@H](OC)c1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 544402593 HNVUAXWAQOLXDV-IBGZPJMESA-N 427.482 4.085 5 20 IIBD Cc1ccc(C)c(SCc2noc(-c3nn(-c4ccccc4[N+](=O)[O-])c(C)cc3=O)n2)c1 544898249 QEDIPDYMTXAFGC-UHFFFAOYSA-N 449.492 4.408 5 20 IIBD COc1ccc(CN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@H](C)C2CC2)c(OC)c1 548974737 RIARYLUWEPWGKL-CQSZACIVSA-N 429.473 4.453 5 20 IIBD CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1cccc(C(N)=O)c1[N+](=O)[O-] 553249446 JTPWRGSUIFHOAQ-UHFFFAOYSA-N 427.464 4.183 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CC[C@H](N4CCCCC4)C3)n2Cc2cccs2)c1 555437407 UNSHGZURIHHWRF-IBGZPJMESA-N 438.557 4.028 5 20 IIBD Cc1cccc([C@@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c2ccccn2)c1 556527138 UMFVEJGYJZTLMM-JOCHJYFZSA-N 446.507 4.440 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 557118924 XWNSOPWHRIYTIY-YKSBVNFPSA-N 445.475 4.419 5 20 IIBD CC(C)c1cc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n(-c2ccccc2)n1 558532664 RFRGBSIDOCWYIC-UHFFFAOYSA-N 447.495 4.034 5 20 IIBD CC(=O)NCCN(Cc1ccc(C)s1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 558766727 DYYQSDKOPBFUAO-UHFFFAOYSA-N 444.435 4.154 5 20 IIBD O=C(NCc1nn(-c2ccccc2)c2c1CCC2)c1cc([N+](=O)[O-])ccc1C(F)(F)F 570810460 QJHNKCYRCDKZQR-UHFFFAOYSA-N 430.386 4.218 5 20 IIBD Cc1cc(O)nc2cc(C(=O)NCCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc12 571932820 MLDSBPSLSJRYJG-UHFFFAOYSA-N 434.374 4.018 5 20 IIBD CCCc1c(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2CC)cnn1-c1cccc(F)c1 573012330 ASVVMZNDMBMTLS-UHFFFAOYSA-N 439.447 4.012 5 20 IIBD C[C@@H]1CN(CCCNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 591659712 RPCAHBPLMMMEDR-WOJBJXKFSA-N 449.555 4.036 5 20 IIBD O=C(CCCc1nc(O)c2ccccc2n1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 601909432 WVBRFVSNGUGDIQ-UHFFFAOYSA-N 435.465 4.329 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(Cl)c(C(=O)O)c1 603570683 YLSDRJAOMRCMNN-UHFFFAOYSA-N 431.754 4.406 5 20 IIBD CC(C)Oc1cccc(CC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 604460883 OFXRJCCEWGIDMZ-UHFFFAOYSA-N 425.407 4.172 5 20 IIBD C[C@H](c1ccccc1Br)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 604494399 JIPQPJRSHOJKLL-SNVBAGLBSA-N 433.711 4.392 5 20 IIBD COc1ccc(C2(NC(=O)CSCc3ccc(OC)c([N+](=O)[O-])c3)CCCC2)cc1 609008387 AMQVWBSXBPEXJG-UHFFFAOYSA-N 430.526 4.431 5 20 IIBD CCOC(=O)c1cc(S(=O)(=O)Nc2ccc3oc(C(C)C)nc3c2)cc([N+](=O)[O-])c1C 609700554 UXQMFGKZERBEMX-UHFFFAOYSA-N 447.469 4.145 5 20 IIBD COc1ccc2c(c1)OCC[C@H]2NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 618669189 MERNMSIASZWBQS-OAQYLSRUSA-N 434.448 4.436 5 20 IIBD CC(C)CO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cccs2)C1 619854761 SYBCSNQWCUURPU-GOSISDBHSA-N 427.530 4.214 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccccc2NC(=O)c2cccs2)cc1[N+](=O)[O-] 726516627 PPPQRYNMYPKLDM-UHFFFAOYSA-N 426.410 4.378 5 20 IIBD O=[N+]([O-])c1cccc(-c2ncn(CN(CCc3ccccn3)Cc3ccc(F)cc3)n2)c1 726964632 VVFLCHLGCQMKMT-UHFFFAOYSA-N 432.459 4.090 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)CCc2ccc(OC(F)(F)F)cc2)cccc1[N+](=O)[O-] 727536048 ZYKNDNYVRFJEDN-CYBMUJFWSA-N 440.374 4.305 5 20 IIBD O=C(OCc1c(F)cccc1[N+](=O)[O-])[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 728991030 BGMYQIMXWBJDCB-QGZVFWFLSA-N 441.242 4.389 5 20 IIBD C[C@@H](OC(=O)CCc1nc2cc(Cl)ccc2s1)C(=O)Nc1cccc([N+](=O)[O-])c1 730609912 XQUUPTIGBVMUDJ-LLVKDONJSA-N 433.873 4.361 5 20 IIBD O=C(COC(=O)c1c(Cl)cccc1[N+](=O)[O-])NCCc1cccc(Cl)c1Cl 730647286 YMWREELXAFNHEJ-UHFFFAOYSA-N 431.659 4.071 5 20 IIBD CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)OCCOc1ccc([N+](=O)[O-])cc1)O[C@@H](C)C2 730657129 VLWSVVGNZRVXCD-DCPHZVHLSA-N 427.453 4.043 5 20 IIBD O=C(COC(=O)c1cc(F)cc([N+](=O)[O-])c1)Nc1ccc(N2CCc3ccccc32)cc1 731529150 UZGGYFYQWFTVQC-UHFFFAOYSA-N 435.411 4.224 5 20 IIBD Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)COc3ccc(C=O)cc3[N+](=O)[O-])s2)cc1 731637727 ABWCVUGIBOIZGP-CQSZACIVSA-N 439.493 4.404 5 20 IIBD C[C@@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C[C@@H](C)N1C(=O)OC(C)(C)C 733117282 NABZEAYTRKFWKM-QZTJIDSGSA-N 449.551 4.011 5 20 IIBD C[C@@H](c1ccccc1)N1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 734784195 ZRMDSOKHSIYCRW-AWEZNQCLSA-N 432.318 4.313 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Br)c1cc(Cl)nc(N2CCCC2)c1 739579723 GSGGQETUSGYUIZ-UHFFFAOYSA-N 440.681 4.363 5 20 IIBD CC[C@@H](c1ccncc1)N(CC)C(=O)c1ccc(I)c([N+](=O)[O-])c1 739661405 QLZFTOIXHHUSPH-HNNXBMFYSA-N 439.253 4.208 5 20 IIBD COc1ccc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cn2)cc1 741653400 FQYYVCURDSNXHO-UHFFFAOYSA-N 435.845 4.245 5 20 IIBD C[C@H](OC(=O)c1cc(Br)cs1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 743042535 MWYCMZDHIKJTOY-ZETCQYMHSA-N 433.667 4.256 5 20 IIBD Cc1c(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cccc1N1CCOC1=O 743786724 PDFZDTFUKRKVCR-UHFFFAOYSA-N 439.346 4.053 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@H]3C[C@H]3c3cccc(F)c3F)CC2)ccc1[N+](=O)[O-] 744175953 WNCCTSVCKKPBIR-IRXDYDNUSA-N 432.423 4.197 5 20 IIBD CCOC(=O)c1nc(-c2ccccc2)oc1COC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 744622533 XOFCQYVFSXZBKA-UHFFFAOYSA-N 430.800 4.437 5 20 IIBD CO[C@]1(C)C[C@H](NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1(C)C 744722523 AGZCFJSBZZMWPJ-PGRDOPGGSA-N 445.903 4.434 5 20 IIBD Cc1nc(C(=O)OCc2ccc([N+](=O)[O-])cc2F)nn1-c1c(Cl)cccc1Cl 746980211 NWTFFSALKJXLDD-UHFFFAOYSA-N 425.203 4.287 5 20 IIBD CN(C(=O)COC(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1)c1ccc([N+](=O)[O-])cc1 747189847 DQPUGWGYQAFGEG-UHFFFAOYSA-N 449.394 4.362 5 20 IIBD O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCO[C@@H](c2cccc(Br)c2)C1 748783073 MPIADOUBLWSSDE-MRXNPFEDSA-N 425.666 4.224 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cccc(Cl)c1[N+](=O)[O-] 749877152 YCTZAOAMQNCCMH-UHFFFAOYSA-N 440.681 4.030 5 20 IIBD O=C(Nc1ccc2scnc2c1)c1cc([N+](=O)[O-])ccc1I 751198741 VMATWWSYHQTYLM-UHFFFAOYSA-N 425.207 4.061 5 20 IIBD CC(C)(C)O[C@@H](C(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1ccccc1 754532662 BRYWKKIGSTVMPF-OAQYLSRUSA-N 427.501 4.306 5 20 IIBD CN(Cc1ccc(Br)o1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 755025254 XAQHJOIZTIUIDB-UHFFFAOYSA-N 433.056 4.377 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N(Cc1ccccc1)C[C@H](O)c1cccs1 755765825 ZEWQUEHTSPNRLY-NRFANRHFSA-N 448.504 4.218 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] 758620223 PVNCATJKCHRVKB-YJBOKZPZSA-N 442.896 4.237 5 20 IIBD Cc1cc(C[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2Br)n(-c2ccccc2)n1 758829985 PSFRNDYTXQSZJW-ZDUSSCGKSA-N 443.301 4.212 5 20 IIBD CN1CC[C@H](CNC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 762736297 SXOCWBLBJPBQGQ-ADLMAVQZSA-N 427.810 4.088 5 20 IIBD O=C(O[C@@H]1CCO[C@H]([C@@H]2CCOC2)C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 763109234 HDQLCSJISTYETE-BLIXFSHQSA-N 429.494 4.487 5 20 IIBD COc1cc(CN(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)C2CC2)ccc1OC(F)F 763383888 PYCRUTDDIBFMMN-UHFFFAOYSA-N 428.338 4.288 5 20 IIBD COc1ccc2cc(CN(C)C(=O)COC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)ccc2c1 763715764 IBPHQIUXPVDDHX-UHFFFAOYSA-N 442.855 4.225 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1nnc(-c2ccc(Cl)cc2)o1 763810507 OFISXUJUIIBLMT-UHFFFAOYSA-N 449.872 4.394 5 20 IIBD C[C@@H]1CN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC[C@@H]1NC(=O)OC(C)(C)C 765036897 WQOKOEQYJKANJT-AEFFLSMTSA-N 442.516 4.308 5 20 IIBD C[C@H](OC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 766770612 KNZYMYORDNVNFV-CUOATXAZSA-N 433.342 4.470 5 20 IIBD COc1ccc(-c2ncc(C(=O)N3CCc4cc(C)c([N+](=O)[O-])cc43)s2)cc1OC 766860658 LZFABIMVLGMLDB-UHFFFAOYSA-N 425.466 4.247 5 20 IIBD Cc1c(C(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])nnn1Cc1ccc(F)cc1 766871840 ISWAYLLDOKEDPS-QFIPXVFZSA-N 447.426 4.024 5 20 IIBD COC(=O)[C@](C)(NCc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(Br)c1 768542371 VVCOFOVIOVBFRV-QGZVFWFLSA-N 427.682 4.189 5 20 IIBD CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Oc1cc(F)cc([N+](=O)[O-])c1 771487753 FTDKUBBDTHGLST-LBPRGKRZSA-N 427.475 4.004 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(N2CCC(N(C)C)CC2)cc1 774843284 NBABIUSZVZLXRN-OAHLLOKOSA-N 446.935 4.185 5 20 IIBD CC(C)c1ccc(-c2nc(CS(=O)(=O)C[C@H](O)c3ccc([N+](=O)[O-])cc3)cs2)cc1 776260576 KMTYXBCRCNUDLZ-FQEVSTJZSA-N 446.550 4.490 5 20 IIBD COC(=O)N1CCC([C@H](C)NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 776963562 DZSNNKFGYBJYQI-HNNXBMFYSA-N 443.525 4.343 5 20 IIBD COc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])c4nsnc4c3)n2)cc1F 777791379 HVMNMORSLJWVIW-UHFFFAOYSA-N 431.430 4.123 5 20 IIBD Cc1cc2c(N3CCC[C@H]3C(=O)OCc3ccc([N+](=O)[O-])cc3Cl)ncnc2s1 778093511 BBPCASDSSWUFHJ-INIZCTEOSA-N 432.889 4.274 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 780681645 PCIKBTCNTOLWSD-KRWDZBQOSA-N 432.521 4.058 5 20 IIBD COc1cc(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)ccc1S(=O)(=O)N(C)C 780780586 VBHBIWGCQPUNSV-UHFFFAOYSA-N 447.538 4.194 5 20 IIBD CC(C)(C)OC(=O)N1Cc2ccc(CNC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2C1 781081739 KUGKQXIHBULMBC-UHFFFAOYSA-N 431.876 4.429 5 20 IIBD CC1=C(C(=O)N(C)C)[C@H](c2ccc([N+](=O)[O-])cc2Cl)NC(=S)N1c1ccccc1 783928180 MZXYSUNIGYDIMV-SFHVURJKSA-N 430.917 4.046 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(F)cc(F)c2Br)ccc1Cl 785493729 WSPJDOLEBGEAFM-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccn(-c2ccccc2)n1 785896246 GDOOTLJJWCSDEC-UHFFFAOYSA-N 429.274 4.124 5 20 IIBD O=C(CCCOCc1ccccc1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791174199 IVHRWDDAYILSRD-UHFFFAOYSA-N 433.302 4.239 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)OC[C@H]3CCCS(=O)(=O)C3)cc2[N+](=O)[O-])cc1 791606621 WLDYHKPMXNIJGO-OAHLLOKOSA-N 435.523 4.036 5 20 IIBD COc1ccc2c(CN3CCc4c(Br)ccc([N+](=O)[O-])c4C3)cc(=O)oc2c1 792897941 OLLKKTOVUSPXBP-UHFFFAOYSA-N 445.269 4.031 5 20 IIBD Cc1ncc(-c2ccc(NC(=O)CN(C)c3cc(Br)ccc3[N+](=O)[O-])cc2)o1 795020786 IMBCHJIRXMYPCM-UHFFFAOYSA-N 445.273 4.396 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1csc(-c2ccccc2)n1 795387844 UOZOLNHQNUIBOY-UHFFFAOYSA-N 440.300 4.282 5 20 IIBD O=C(COC(=O)c1ccc2nc(-c3ccccc3)oc2c1)Nc1cc([N+](=O)[O-])ccc1F 796041817 BEZSCDVPFRMFKM-UHFFFAOYSA-N 435.367 4.338 5 20 IIBD CC(C)(C(=O)OCC(=O)N(Cc1ccccc1)CC(F)(F)F)c1ccccc1[N+](=O)[O-] 796443889 RXUBYKMGFAVFFX-UHFFFAOYSA-N 438.402 4.007 5 20 IIBD O=[N+]([O-])c1cc(F)c(S(=O)(=O)Nc2ccccc2NCC(F)(F)F)cc1Cl 798247380 PVEPYCZSDKOLSH-UHFFFAOYSA-N 427.763 4.162 5 20 IIBD CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 802664143 ZHCMJYGHOYXKDT-UHFFFAOYSA-N 444.536 4.003 5 20 IIBD O=C([C@H]1CCCc2c(O)cccc21)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 803545661 KNYFGFBGOMHDIK-HNNXBMFYSA-N 431.286 4.068 5 20 IIBD CN(C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 806949712 HPNWWSMIOJJBFN-DLBZAZTESA-N 444.702 4.355 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)C1 809433010 BMHLYPKASOFRAJ-AOMKIAJQSA-N 439.472 4.164 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c(Cl)cc1Cl 809830959 KSIOAOWDXCVUPO-LRDDRELGSA-N 449.287 4.239 5 20 IIBD O=C(c1ccccc1F)N1CCCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 809932799 FBYBCUSSBREZOP-UHFFFAOYSA-N 426.275 4.389 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 810206527 RBBLYAQPNLXLHW-MRXNPFEDSA-N 448.520 4.104 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N[C@H](CC1CCC1)c1ccccc1 810380929 GQHHTPJCOANSLS-QGZVFWFLSA-N 446.301 4.344 5 20 IIBD O=C(OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1cn(Cc2cccc(F)c2)nn1 811083777 DDZKWWHQRZBEOL-UHFFFAOYSA-N 425.203 4.038 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](c2ccc(F)cc2)C[C@H]1C 812116306 CPXUQTYOSRDWQD-CRAIPNDOSA-N 425.464 4.021 5 20 IIBD O=C(O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)c1csc(-c2c(F)cccc2F)n1 813173575 GCRAVTSSRMOBQE-HNNXBMFYSA-N 445.447 4.428 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CCC(OC[C@@H]2CCCO2)CC1 815347256 XZWJYJWGDHBWRA-IMRCBTMISA-N 431.407 4.411 5 20 IIBD CCCN(C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)[C@@H](C)c1ccccc1OC 914507503 DZYFZWMCUWKIJK-HOTGVXAUSA-N 443.475 4.095 5 20 IIBD O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 914595508 JSKUHEDHXOADQZ-UHFFFAOYSA-N 443.809 4.105 5 20 IIBD O=C(COC(=O)CCOc1ccccc1-c1ccccc1)Nc1cc([N+](=O)[O-])ccc1F 914998959 CMLDRXVJSGPAGT-UHFFFAOYSA-N 438.411 4.352 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)c2ccccc2OC)cc1 915442993 VUDSFIMMJYPSTI-UHFFFAOYSA-N 437.404 4.444 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@H](C)c2ccc3c(c2)CCC(=O)N3)CC1 916401545 HBFDQLWVDBSWHZ-MRXNPFEDSA-N 436.512 4.207 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)Oc2cccc(C(C)(C)C)c2)c([N+](=O)[O-])c1 919405943 CDBKUQQPIAEUPW-CABCVRRESA-N 444.484 4.239 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1 919712220 CMRHVJNYSDMJQY-KVDXNUTJSA-N 441.915 4.301 5 20 IIBD COCCn1cc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc21 920669660 ZQZFXXGKWDCMGW-CYBMUJFWSA-N 445.859 4.033 5 20 IIBD C[C@H](C(=O)NCc1ccccc1CNC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1F 1116581637 OKLRVMHNUJEZDY-AWEZNQCLSA-N 431.464 4.179 5 20 IIBD CC(C)(C)OC(=O)NCc1ccccc1CNC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1254469890 IUIFGFZTOAQJDY-UHFFFAOYSA-N 440.544 4.378 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nc(-c2ccc(CNC(C)=O)cc2)cs1 1256278013 AYUQDAMKOMPORC-UHFFFAOYSA-N 440.481 4.005 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc(C)c1)c1nnc(COc2ccccc2[N+](=O)[O-])o1 1322152126 VNSUUNUPNZTWTE-MRXNPFEDSA-N 442.497 4.089 5 20 IIBD CC(=O)NCc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])cc(C)c3F)n2)cc1 1322250869 KVXSADMXTQEFDO-UHFFFAOYSA-N 428.445 4.054 5 20 IIBD Cc1ccc(-c2nnc(N(Cc3ccccc3[N+](=O)[O-])C3CC3)n2C[C@@H]2CCOC2)cc1 1346328136 QLTKHQXBVKWVCD-SFHVURJKSA-N 433.512 4.367 5 20 IIBD Cc1cc[nH]c1C(=O)NC1(c2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)cc2)CCC1 1785792404 YSWOEBNEBBHANF-UHFFFAOYSA-N 432.480 4.222 5 20 IIBD CO[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1)c1ccccc1 1787711847 JKGUGZUBRYTCLO-OAQYLSRUSA-N 449.463 4.323 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)C4=CCCS4)CCC3)cc2)ncc1[N+](=O)[O-] 1788765193 VYTDBHPPTOWQPM-UHFFFAOYSA-N 438.509 4.067 5 20 IIBD C[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)CCC2)cc1)n1cccc1 1791790673 ZVPZLIYVDJBVCU-INIZCTEOSA-N 448.479 4.111 5 20 IIBD O=C(/C=C/c1ccccc1)N1CCC2(CCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)CC1 1804751477 SKUBMYTXSTXPLY-ZHACJKMWSA-N 447.535 4.082 5 20 IIBD O=C(c1cccc(F)c1[N+](=O)[O-])N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CC=CCC2)CC1 1830280718 RRQKTSPPODCHDO-RXVVDRJESA-N 443.519 4.324 5 20 IIBD O=C(c1cccc(F)c1[N+](=O)[O-])N1CC2(CCCN2C(=O)/C=C/c2cc3ccccc3o2)C1 1843835785 WFCDRKAYVXRDON-MDZDMXLPSA-N 449.438 4.011 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)c([N+](=O)[O-])c1 11025714 GTBJINNUXHVDKH-HXUWFJFHSA-N 435.392 4.348 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1[N+](=O)[O-] 12861064 QXAOQNNRBRFXDN-QGZVFWFLSA-N 449.301 4.099 5 20 IIBD CCOc1ccc(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1S(=O)(=O)N(C)C 18060930 OEJFLPHBKVWDFZ-UHFFFAOYSA-N 433.408 4.006 5 20 IIBD O=C(COC(=O)CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCCCCC2)cc1 18357786 RKVMWODUBIBDBK-UHFFFAOYSA-N 443.525 4.249 5 20 IIBD COc1ccccc1NC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 21187192 CUNKHNVBVSKYIW-SFHVURJKSA-N 446.916 4.031 5 20 IIBD O=C(COC(=O)c1cnc2ccccc2c1C(F)(F)F)Nc1ccc(F)c([N+](=O)[O-])c1 25985124 XESCWTRIXONQPM-UHFFFAOYSA-N 437.305 4.096 5 20 IIBD CCn1c(SCCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)nnc1-c1cccs1 26221215 PAJOKYBLTAKRAO-UHFFFAOYSA-N 433.515 4.064 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NC[C@@H]2Cc3ccccc3O2)cc1[N+](=O)[O-] 33117677 WCKUSPBGXPHVEI-KRWDZBQOSA-N 448.500 4.281 5 20 IIBD CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)Cc2ccc([N+](=O)[O-])cc2)nc1C 57683351 AHUXGWJFKQVNRX-UHFFFAOYSA-N 439.493 4.312 5 20 IIBD CN(C)CCOc1ccc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1 58491506 JQTFJDAIVAKZEG-UHFFFAOYSA-N 434.496 4.400 5 20 IIBD O=C(Nc1ccc(Cl)cc1)N1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 109018847 XASJQZFZGFYYRQ-UHFFFAOYSA-N 437.283 4.282 5 20 IIBD Cc1sc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)nc1-c1cccc([N+](=O)[O-])c1 195704174 XIQKHCOPYMALPN-OAHLLOKOSA-N 426.429 4.230 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(CNc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)cc2)C[C@@H](C)O1 301458996 YCKPKBQGRMSIMQ-OKILXGFUSA-N 437.418 4.475 5 20 IIBD CC[C@@]1(CO)CCCN(c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])C1 302451500 SFGQTULQNIYZOJ-JOCHJYFZSA-N 447.557 4.001 5 20 IIBD C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] 302546738 PDFIRLFXVHSAFJ-PIGZYNQJSA-N 446.859 4.211 5 20 IIBD O=[N+]([O-])c1ccc2nc(NS(=O)(=O)c3ccc(Br)cc3Cl)sc2c1 324552823 MTVMFBOOIALVFT-UHFFFAOYSA-N 448.707 4.421 5 20 IIBD O=C(Nc1cc(Cl)c(F)c(Cl)c1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 426183852 OOWVAFYICFYBSQ-UHFFFAOYSA-N 426.231 4.170 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCO[C@H](c2ccccc2F)C1 426272049 TYEKDJBHGPXWAN-KRWDZBQOSA-N 427.354 4.036 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccnn1Cc1ccccc1Br 429506188 VGCPWOUBTHTLDO-UHFFFAOYSA-N 444.289 4.266 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)c1 430032871 IEYYHCZOTKBCQG-INIZCTEOSA-N 429.267 4.022 5 20 IIBD Cc1cnc([C@@H](C)CNc2ccc([N+](=O)[O-])c(NC[C@@H](C)c3ncc(C)s3)n2)s1 433763085 UKDBUUFMQHLSBS-NWDGAFQWSA-N 432.575 4.951 5 20 IIBD O=C(Nc1nc([C@@H]2C[C@H]3CC[C@H]2C3)cs1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 435015839 IZSDHBFLYQQXTN-DHSIGJKJSA-N 440.525 4.085 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCCC1 435833263 DLJLMYIDDQPAOA-XMMPIXPASA-N 441.531 4.257 5 20 IIBD O=C(N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 437513539 IQESUDSTNGEXJO-KOMQPUFPSA-N 430.386 4.475 5 20 IIBD COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 437818014 DENPQHAUAXODEE-UHFFFAOYSA-N 425.441 4.217 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(CCc1ccccn1)Cc1ccncc1 438091673 GCQDYRCIKRKECN-INIZCTEOSA-N 440.887 4.077 5 20 IIBD Cc1ccc([C@@H](OC[C@@H](O)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)c2ccccc2)cc1 438820421 PPYMJPJKUWNQDK-ZEQRLZLVSA-N 444.491 4.329 5 20 IIBD Cc1cc(-c2cc(C(=O)N(C)c3ccc([N+](=O)[O-])nc3)c3cnn(C(C)C)c3n2)c(C)o1 439298763 WCRRDVZKUGINSD-UHFFFAOYSA-N 434.456 4.469 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN(Cc1ccccc1[N+](=O)[O-])C1CC1 441238296 YLHQXAOJOIDWIJ-UHFFFAOYSA-N 433.512 4.391 5 20 IIBD Cc1cc(NC(=O)c2cc(F)c(F)cc2Br)n(-c2ccc([N+](=O)[O-])cc2)n1 441315550 BJSSKOBKBTULJX-UHFFFAOYSA-N 437.200 4.382 5 20 IIBD CN(C)C(=O)COc1ccc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1Cl 444996042 ZXHITTCZPSETPA-UHFFFAOYSA-N 449.894 4.054 5 20 IIBD Cc1cccc(Oc2cc(CNC(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)ccn2)c1C 445113063 NIOFNYQILFEZJZ-UHFFFAOYSA-N 446.467 4.275 5 20 IIBD O=C(N=c1nc(Cc2ccc(F)cc2F)[nH]s1)c1cccc2c(=O)c3ccccc3[nH]c12 445162538 SYPOMAKBXJJGCF-UHFFFAOYSA-N 448.454 4.076 5 20 IIBD COCCCOc1ccc(-c2noc(-c3ccc([N+](=O)[O-])cc3Br)n2)cc1 445746925 CJNCMXXRCASNJO-UHFFFAOYSA-N 434.246 4.490 5 20 IIBD NS(=O)(=O)c1ccc(NCc2ccccc2COc2ccccc2Cl)c([N+](=O)[O-])c1 462871991 RYHCSYVNBXEOBO-UHFFFAOYSA-N 447.900 4.087 5 20 IIBD Cc1c(Cl)cccc1NC(=O)CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 463606608 OEGMDGVONFJCPQ-UHFFFAOYSA-N 429.782 4.334 5 20 IIBD O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 463763086 WZVNZDFKURQXED-UHFFFAOYSA-N 440.765 4.290 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 463988440 JMZPPFICKWBFLB-UHFFFAOYSA-N 432.411 4.423 5 20 IIBD C[C@@H](CCc1ccccc1[N+](=O)[O-])NCc1cccc(NC(=O)NCc2ccncc2)c1 468557403 WRKVXXFACGPRKS-SFHVURJKSA-N 433.512 4.422 5 20 IIBD Cc1ccc(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)c(O[C@@H](C)CC(C)C)c1 468579210 UKVUOWDKYZIIHG-INIZCTEOSA-N 427.501 4.280 5 20 IIBD C[C@H](O)C[C@@H](CNC(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)c1ccccc1 468801332 BOTQXQNKTZQQII-WEMPKCCASA-N 439.556 4.362 5 20 IIBD C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)no1 472669228 ITADJZLBJBDZEG-VIFPVBQESA-N 435.209 4.037 5 20 IIBD Cc1nc(CNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)oc1-c1ccc(Cl)cc1 473680523 VXWQQWJWDHIDLE-UHFFFAOYSA-N 429.864 4.123 5 20 IIBD Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 477129430 ZEVJGXMYPQJNHN-UHFFFAOYSA-N 440.477 4.070 5 20 IIBD CCOc1cc(Br)ccc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 478711203 SUONXJHMCMXDBJ-UHFFFAOYSA-N 431.246 4.194 5 20 IIBD COc1ccc(CNC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1Cl 482519969 SKOAXEAQFXSNAG-UHFFFAOYSA-N 428.876 4.048 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N(Cc2ccc(OC)cc2)[C@H](C)C2CC2)cc1OC 484236452 UYRAFZGBZAVGRY-OAHLLOKOSA-N 428.485 4.452 5 20 IIBD CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 485652383 CFQMNXFAUVRNDB-GDLZYMKVSA-N 426.441 4.496 5 20 IIBD Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 486188176 DRPNUDKCVUIOHB-WFASDCNBSA-N 425.304 4.377 5 20 IIBD CN(C)C(=O)c1cc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])ccc1F 486203025 FFXQHISSTUYMQW-UHFFFAOYSA-N 437.427 4.267 5 20 IIBD Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)c2)c1 488011730 VIHDWEZJRGAXSB-INIZCTEOSA-N 439.493 4.195 5 20 IIBD Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c(C)c1 488094150 BOZPOKNLYWKORK-HNAYVOBHSA-N 445.566 4.232 5 20 IIBD CCN(CC1CCN(c2ccccn2)CC1)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 489291745 NWJZXDDAPWMRGZ-KRWDZBQOSA-N 436.516 4.339 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])N[C@@H]1CSc2ccc(Br)cc21 489654124 KCCQNBMSFFILHD-GFCCVEGCSA-N 425.329 4.413 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 490902419 VBVDJKBAFXRKOA-UHFFFAOYSA-N 428.436 4.399 5 20 IIBD O=C(c1ccc(S(=O)(=O)C2CCCC2)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 492815189 DDIYZTKDBFFBBX-UHFFFAOYSA-N 428.510 4.116 5 20 IIBD COc1cc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc(OC)c1Br 492958673 IPMHJJQXUSFFCA-UHFFFAOYSA-N 435.274 4.179 5 20 IIBD CN(C[C@H]1CCOC1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 494959832 NOKPKCHSMNFCEO-AUUYWEPGSA-N 448.317 4.005 5 20 IIBD COc1cc(CNc2ccccc2C(=O)NC(C)(C)C)c([N+](=O)[O-])cc1OCC(F)F 502634954 FSIDLIWWMVKOEM-UHFFFAOYSA-N 437.443 4.388 5 20 IIBD C[C@@H](c1ccccc1Br)N(C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 503588061 CJIPGGXCFVDEBC-ZDUSSCGKSA-N 429.274 4.376 5 20 IIBD CCC(CC)NC(=O)[C@@H]1CN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])c2ccccc2O1 505097722 GFVFRSVLPQGJOS-FQEVSTJZSA-N 443.525 4.029 5 20 IIBD COc1ccc([C@H](NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C(F)(F)F)cc1 505405263 XFNDBXMACCQVRX-QFYYESIMSA-N 432.782 4.444 5 20 IIBD Cn1cc(C(=O)N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 505563643 APMTUDYOJVCUOJ-MAUKXSAKSA-N 430.386 4.300 5 20 IIBD COc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc34)s2)cc1 505813389 SCMWKZHVIPUWEE-NSHDSACASA-N 437.481 4.403 5 20 IIBD COc1ccc(Br)cc1CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 509678922 GFHGFSVTLMUCDM-UHFFFAOYSA-N 436.306 4.486 5 20 IIBD O=C(Nc1cccc(Cl)c1)N1CCCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 509864871 OMVCFXVZEFVFDH-UHFFFAOYSA-N 441.875 4.110 5 20 IIBD Cc1ccc2c(c1)[C@@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)CCC2 511694330 ZXFHRXOLWYEMCJ-INIZCTEOSA-N 446.301 4.106 5 20 IIBD Cc1cc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c2ccc(Br)cc2n1 512393637 TZYPQTNNAGQBOD-UHFFFAOYSA-N 429.274 4.056 5 20 IIBD C[C@@H]1CCCN(Cc2ccc(CN[C@@H](c3cccc([N+](=O)[O-])c3)c3nccn3C)cc2)C1 514090415 VDEONHZGFWKTNV-DVECYGJZSA-N 433.556 4.439 5 20 IIBD C[C@H]1CN(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C[C@@H](C)O1 514343859 LIFSLUGGKAUAMK-CALCHBBNSA-N 443.569 4.364 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2cc(NS(C)(=O)=O)cc(C(F)(F)F)c2)n1 514970883 MQAUDIOSLBQUSG-UHFFFAOYSA-N 442.375 4.011 5 20 IIBD CS(=O)(=O)c1cc(C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)cc([N+](=O)[O-])c1 517866537 TXWHFGODPMDMGI-UHFFFAOYSA-N 443.308 4.110 5 20 IIBD C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccc(OCc2ccccn2)c1 517912351 BVUKRCLGYPPIAM-CQSZACIVSA-N 447.900 4.262 5 20 IIBD O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H](O)COc2ccc(C(F)(F)F)cc2)o1 520216045 RMBQUUCPBXOWJO-OAHLLOKOSA-N 436.386 4.403 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCC[C@H](N4[C@H](C)CC[C@H]4C)C3)cc2[N+](=O)[O-])CC1 521261658 XMJGDWZJWHBPSQ-SBHAEUEKSA-N 428.577 4.309 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2nc3cc(Cl)ccc3s2)ccc1[N+](=O)[O-] 522485341 DMJXBQJDVWBHMQ-INIZCTEOSA-N 444.900 4.410 5 20 IIBD COc1ccccc1[C@@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 522536233 CLUAPUSQXSKZES-GOSISDBHSA-N 447.285 4.449 5 20 IIBD Cc1cnn(-c2ccc(NC(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)cc2F)c1 522899087 NLXIPWIIRVJSGM-UHFFFAOYSA-N 448.458 4.342 5 20 IIBD O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCCN1C(=O)Cc1ccccc1[N+](=O)[O-] 523444555 SLMDOLVYQWZZAY-SFHVURJKSA-N 436.295 4.464 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1 524420703 RPNQIVNMWDATEE-IBGZPJMESA-N 427.526 4.355 5 20 IIBD COc1cc(C(=O)NCC2(c3ccc(Br)cc3)CCC2)cc([N+](=O)[O-])c1OC 525068830 NGHRYSNOKCPIBJ-UHFFFAOYSA-N 449.301 4.226 5 20 IIBD COc1ccc(NC(=O)CCSc2cc(Br)ccc2OC)c([N+](=O)[O-])c1 525520723 FOZZILRGYQKUDE-UHFFFAOYSA-N 441.303 4.495 5 20 IIBD CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 536505036 KYDWIEGVYOWZSX-UHFFFAOYSA-N 439.859 4.431 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)[C@@H]1CCC(=O)[C@H](C)C1 537092547 ADTGWZXVWAYKJO-TZMCWYRMSA-N 430.482 4.444 5 20 IIBD CC(C)(C)Cc1nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)ccc2o1 537422811 RWRGFSBWRWYILM-UHFFFAOYSA-N 438.484 4.414 5 20 IIBD CCOc1ccc(Nc2ccc([N+](=O)[O-])c3cccnc23)cc1S(=O)(=O)N1CCCC1 537790027 VSAGXPSJUADCPM-UHFFFAOYSA-N 442.497 4.070 5 20 IIBD CCN1CC[C@@H](N(C)Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C[C@H]1C 538717191 JOHVJWPKNLJMDZ-WIYYLYMNSA-N 427.545 4.487 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNc3cccnc3N3CCC(O)CC3)o2)c(Cl)c1 539522494 NQDSCEQNFKBUJH-UHFFFAOYSA-N 428.876 4.476 5 20 IIBD Cc1cc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1-n1nnnc1C(C)C 541344189 BBWJEKYZURXTED-UHFFFAOYSA-N 434.378 4.273 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1Br 542506675 JRVKUJZCPDDJOR-SNVBAGLBSA-N 434.216 4.118 5 20 IIBD CC(C)(C)C(=O)Nc1nc(CC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cs1 542928382 VOOAVYDGLZVYOT-UHFFFAOYSA-N 430.408 4.236 5 20 IIBD CCc1ccc([C@H](NCc2cccc(NS(C)(=O)=O)c2)c2ccc([N+](=O)[O-])cc2)o1 543403618 KGOJKXKWSORBCO-OAQYLSRUSA-N 429.498 4.001 5 20 IIBD Cn1cc(C(C)(C)NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)cn1 547411246 KDDLMROPBXAUAK-UHFFFAOYSA-N 427.892 4.259 5 20 IIBD Cc1nnc(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)n1C1CC1 552817096 CERRHVQGRMWLRQ-UHFFFAOYSA-N 426.864 4.347 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C)c(I)c2)c1 554884874 YRNMTVYSDWOMNL-UHFFFAOYSA-N 426.210 4.159 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3[C@H]4C=C(c5ccnn5C)C[C@H]3CC4)cc2[N+](=O)[O-])C1 554930065 JFBZYDOCOJYIHH-DEPWHIHDSA-N 449.555 4.271 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCc3sc(Cl)cc32)c(C(F)(F)F)c1 561396450 MDJOICWPNUKBRP-SNVBAGLBSA-N 426.825 4.294 5 20 IIBD CCOc1cc(C(=O)N[C@@H]2CC[C@@H](c3ccccc3)C[C@@H]2OC)c([N+](=O)[O-])cc1OC 564189803 HJHWWSQPAKIDOB-POAQFYNOSA-N 428.485 4.083 5 20 IIBD Cc1ccc(NC(=O)Cc2sc(N3CCOCC3)nc2-c2ccccc2)cc1[N+](=O)[O-] 571780657 XTNBNVMTWUCLBL-UHFFFAOYSA-N 438.509 4.045 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H]1c1nc(-c2ccccc2Br)no1 578094434 WOJYPCREAZEYLU-AWEZNQCLSA-N 447.293 4.274 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2cnccc2-c2ccccc2)cc1[N+](=O)[O-] 578749392 FQKIUBZTEBOPCH-UHFFFAOYSA-N 432.465 4.189 5 20 IIBD COCCOc1c(Cl)cc(S(=O)(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1Cl 583804513 NOJQAOBWDSRZIF-UHFFFAOYSA-N 449.312 4.344 5 20 IIBD O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 590184426 PPZOQSZBRVTKLQ-LLVKDONJSA-N 429.345 4.148 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCN(Cc4cccnc4)CC3)cc2[N+](=O)[O-])cc1 590648053 GTFROEJPMDMXLS-UHFFFAOYSA-N 448.548 4.407 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nnc(-c2ccc(Cl)cc2)n1C 592992703 JIBUYJJHCHTZMC-UHFFFAOYSA-N 431.905 4.473 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 603631156 IKTSIWMPONUVJO-URLYPYJESA-N 434.358 4.091 5 20 IIBD C[C@H]1CCCCN1Cc1ccccc1CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 603766261 OZOSPOBQUWZXCL-SFHVURJKSA-N 433.512 4.085 5 20 IIBD COc1ccc(S(=O)(=O)N[C@@H](c2ccc(Cl)cc2)c2cccs2)c([N+](=O)[O-])c1 604037235 KVNGHIRLIPZPFY-SFHVURJKSA-N 438.914 4.386 5 20 IIBD CCCOc1ccc(Oc2ncccc2CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 604037854 NIVZNQIVXVHYEB-UHFFFAOYSA-N 443.481 4.049 5 20 IIBD CC(C)[C@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2cccnc2)no1 608799261 RJLLCDWFKRAYOH-GUYCJALGSA-N 427.486 4.034 5 20 IIBD O=C1[C@@H](Sc2ncnc3sc4c(c23)CCCC4)CCN1c1cccc([N+](=O)[O-])c1 609450097 WQJBVXYKBUWXED-INIZCTEOSA-N 426.523 4.376 5 20 IIBD CN(c1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1)S(C)(=O)=O 609544965 FJSSSTALJDMOSH-UHFFFAOYSA-N 449.916 4.194 5 20 IIBD CCc1nn(C)c2n[nH]c(NC(=O)c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)c12 609669242 PAPODOJTEFDQRQ-UHFFFAOYSA-N 436.497 4.479 5 20 IIBD COC(=O)c1cc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)cc([N+](=O)[O-])c1 609838390 JYVIPJMAMRETRT-UHFFFAOYSA-N 448.357 4.147 5 20 IIBD CC(C)(C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1)c1ccc([N+](=O)[O-])cc1 610061574 CRRCVCKPJNFGHN-OAHLLOKOSA-N 446.345 4.278 5 20 IIBD C[C@@H]1CCCN(Cc2csc(NC(=O)c3ccc([N+](=O)[O-])cc3Br)n2)C1 610061723 WWRYUUQLJOXFBH-LLVKDONJSA-N 439.335 4.298 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H](c2nc3ccccc3o2)C1 610665705 IVQRLHPIXFRBQF-CQSZACIVSA-N 444.285 4.447 5 20 IIBD CC(C)[C@@H]1c2ccccc2CCN1C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 610792076 KGTDMYLLTMMIOA-HXUWFJFHSA-N 437.525 4.270 5 20 IIBD COc1ccc(CNc2cnc3c(c2)c(C)nn3C)cc1OCc1ccc([N+](=O)[O-])cc1 611543627 FFHBSUYQJFJNSQ-UHFFFAOYSA-N 433.468 4.385 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)CCCc2cc(-c3ccc(F)cc3)no2)c1 612625456 NWDHSQQEEMWUQR-UHFFFAOYSA-N 447.488 4.259 5 20 IIBD CSc1cccc(C(=O)N2CCN([C@@H](C)c3nc4ccccc4s3)CC2)c1[N+](=O)[O-] 614394268 SJVGVGPIZVSYAU-AWEZNQCLSA-N 442.566 4.445 5 20 IIBD COc1ccccc1-c1ccc([C@@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)cc1 619486909 IVBXWNQWNDMKKD-OAHLLOKOSA-N 442.493 4.319 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F 619494254 LKAXCZOBUUSZGS-NEPJUHHUSA-N 432.420 4.093 5 20 IIBD COc1ccc2c(c1)CC[C@H](NC(=O)c1cc(F)cc3c(=O)c4cc(F)ccc4[nH]c13)C2 672950834 BGLORQRNRWWCTQ-KRWDZBQOSA-N 434.442 4.255 5 20 IIBD Cc1c(NC(=O)[C@H](C)N2CCO[C@H](c3ccccc3Br)C2)cccc1[N+](=O)[O-] 725809364 PANXBHHUAPEEQX-LIRRHRJNSA-N 448.317 4.066 5 20 IIBD O=C(OCc1cccc([N+](=O)[O-])c1)c1cnn(-c2ncccc2Cl)c1C(F)(F)F 730487587 WOQFWIVYHAVKBS-UHFFFAOYSA-N 426.738 4.205 5 20 IIBD CC(C)COc1ccc(C(=O)OC[C@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])cc1 730706217 BLVZVRKHENBBQW-GOSISDBHSA-N 426.469 4.091 5 20 IIBD CCNC(=O)c1cc(Cl)ccc1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 731463773 BKAXGJQVEGIYRI-UHFFFAOYSA-N 430.873 4.374 5 20 IIBD O=C(CCc1nc2cc(Cl)ccc2s1)O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 731520849 NSGBNNHWLJIBRB-INIZCTEOSA-N 445.884 4.139 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCc1oc2ccccc2c1C 734291727 OTBZUJFCQMFLSL-SFHVURJKSA-N 442.493 4.244 5 20 IIBD CC(C)c1ccc(-c2noc(COC(=O)c3cc(O)nc4ccc([N+](=O)[O-])cc34)n2)cc1 735353111 WTIXACHLNXMHJM-UHFFFAOYSA-N 434.408 4.379 5 20 IIBD CCC[C@@H](NC(=O)[C@@H](C)OC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1ccccc1 735353518 JBYJDYHEIMJTRF-AUUYWEPGSA-N 437.452 4.052 5 20 IIBD COc1cc(CCc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)n[nH]2)cc(OC)c1 735688908 FUKDOWZJEMBLEU-UHFFFAOYSA-N 430.848 4.026 5 20 IIBD CN1CCC(N(C)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Br)cc2)CC1 739528264 XKMGKBWRQQRUHN-UHFFFAOYSA-N 447.333 4.140 5 20 IIBD O=C(Nc1ccccc1C(=O)Nc1cnn(CC2CC2)c1)c1ccc([N+](=O)[O-])cc1Cl 742957842 BBTOHHPZGLKZAA-UHFFFAOYSA-N 439.859 4.359 5 20 IIBD COc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC 745568098 JWYAXYVFHUOWHC-SNVBAGLBSA-N 427.331 4.059 5 20 IIBD Cc1ccc([C@H](C)C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)o1 745663678 IUCHXMZGQBVQMV-QWHCGFSZSA-N 429.454 4.294 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)NC12CC3CC(CC(C3)C1)C2 747125452 LJYIIJXIXMDACM-ABROSTTOSA-N 440.418 4.244 5 20 IIBD C[C@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)N1CCCc2ccccc21 747958872 ZGNXPLYSGAXJNC-AWEZNQCLSA-N 437.477 4.243 5 20 IIBD Cc1ccc(C)c(NC(=O)[C@@H](C)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c1 750614770 FVCLSCOJEMVLBU-CQSZACIVSA-N 432.318 4.359 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])c(Br)cc2F)cc1C 751691720 MGHBYTHJYVSFMQ-LLVKDONJSA-N 439.237 4.297 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 754219160 GQXBXROQRBRONP-UHFFFAOYSA-N 438.444 4.083 5 20 IIBD CC1CCN(C[C@H]2CCCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)C2)CC1 755035944 PXHLLKVWCZKGJH-OAHLLOKOSA-N 439.354 4.333 5 20 IIBD CC(=O)c1ccc(Br)cc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 757392425 PCUGVPNDZFKMJH-UHFFFAOYSA-N 427.638 4.231 5 20 IIBD Cc1ccc2cccc(OS(=O)(=O)c3cc(Br)c(F)cc3[N+](=O)[O-])c2n1 757723372 BKRDACASZINDJF-UHFFFAOYSA-N 441.234 4.121 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@H](c2nc(Cc3ccc(F)c(Br)c3)no2)C1 761789060 BIEQTERGAORIEP-INIZCTEOSA-N 447.220 4.336 5 20 IIBD O=C1CN(Cc2ccc(C(F)(F)F)cc2)C(=O)N1Cc1cc([N+](=O)[O-])ccc1Cl 762123468 ZGQHUJWBQVUDIV-UHFFFAOYSA-N 427.766 4.231 5 20 IIBD C[C@@H](OC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 762905579 ZTZVKBISXJGEDF-CYBMUJFWSA-N 437.452 4.489 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)OC[C@@H]1COC(=O)O1 763909899 SJEJDFYRNBDZSO-SCZPIIQISA-N 440.433 4.214 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 764080965 YKVSCNBTTBJHMP-IBGZPJMESA-N 429.517 4.123 5 20 IIBD Cc1ccc([N+](=O)[O-])c(Sc2nnc(CSc3nc4ccccc4s3)n2C)n1 765460470 YGOXFQMJRBZESG-UHFFFAOYSA-N 430.540 4.480 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])c(C2CC2)n1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 767062925 XJJLRAWUMSTWDI-UHFFFAOYSA-N 439.859 4.213 5 20 IIBD O=C(Cc1c[nH]c2cc(Br)ccc12)OCc1nc2cc([N+](=O)[O-])ccc2o1 767587683 BAURWEZGRKGSJE-UHFFFAOYSA-N 430.214 4.266 5 20 IIBD O=C(Nc1ccccc1)NC1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 769107630 WQMHDRPYJXPQIX-UHFFFAOYSA-N 433.306 4.143 5 20 IIBD O=C(c1cc(F)c([N+](=O)[O-])cc1F)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 769470615 MCMUOTHDBIGFLV-UHFFFAOYSA-N 443.372 4.240 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H]1C[C@H](O)c1cccs1 771004487 IDDNEEIITKBSCK-ZFWWWQNUSA-N 425.304 4.147 5 20 IIBD CC[C@H](C)c1ccc(NC(=O)Cc2noc(COc3ccc([N+](=O)[O-])c(F)c3)n2)cc1 771061718 QTAIXBUTEDIJEZ-ZDUSSCGKSA-N 428.420 4.391 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CNC(=O)c1sc3ccccc3c1Cl)CC2 771449320 YXMCELINSUWEDP-UHFFFAOYSA-N 429.885 4.090 5 20 IIBD O=C(OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(C(F)(F)F)cc1Cl 775108045 WYBVEGSEAHQINC-UHFFFAOYSA-N 428.750 4.013 5 20 IIBD COCc1nc(OC)c2c(C)c(C(=O)O[C@@H](C)c3cc([N+](=O)[O-])ccc3C)sc2n1 778754792 WQZVZDBQOQVMMX-LBPRGKRZSA-N 431.470 4.289 5 20 IIBD Cn1ccnc1[C@H](NCCc1ccc(Br)cc1F)c1ccc([N+](=O)[O-])cc1 780765049 VIVZZSZGAWNXAV-GOSISDBHSA-N 433.281 4.152 5 20 IIBD CC(C)c1nccn1Cc1cccc(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c1 781649670 CTMUXURJMLPZDZ-OAQYLSRUSA-N 433.468 4.095 5 20 IIBD COc1cc(OC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc(OC)c1OC 784681929 VBRFALHIFYBWBR-UHFFFAOYSA-N 430.457 4.076 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)Nc2ccc(OCC3CC3)cc2)cc1[N+](=O)[O-] 784812537 BQHFUMXFHFNDRJ-UHFFFAOYSA-N 448.273 4.032 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2cn(C)nc2-c2ccc(Cl)s2)cccc1[N+](=O)[O-] 789293874 CFUGFEXOSXALDQ-LLVKDONJSA-N 448.888 4.203 5 20 IIBD Cc1cnc(COC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)c(C)c1[N+](=O)[O-] 789443373 AASQJDMCJSPLQH-UHFFFAOYSA-N 428.876 4.348 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1=O 789712571 LHAAOVRTCSPIIK-FQEVSTJZSA-N 441.553 4.360 5 20 IIBD Cc1nc(COc2ccccc2C(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cs1 791640265 UFWIWSLMFZLGAL-UHFFFAOYSA-N 429.410 4.204 5 20 IIBD COc1cc(Cl)c(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 792640442 CNEAKBXDEVGWIJ-VIFPVBQESA-N 442.230 4.041 5 20 IIBD C[C@H](OC(=O)c1cc2c(C(F)F)nn(C)c2s1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 795718865 XABAMKTZGPDIEC-QMMMGPOBSA-N 449.395 4.449 5 20 IIBD Cc1nn(CN2CCC[C@H]2c2ccc(Br)c(F)c2)c2ncc([N+](=O)[O-])cc12 797414368 YGODDXSMRRTHQE-KRWDZBQOSA-N 434.269 4.344 5 20 IIBD O=[N+]([O-])c1cc(CN(CCc2ccccn2)Cc2cccnc2)ccc1Br 797604759 CBPIJRVZDVSRJV-UHFFFAOYSA-N 427.302 4.392 5 20 IIBD COc1ccccc1Oc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 798152483 QJPTZYIMQDZKDV-UHFFFAOYSA-N 445.409 4.105 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(c1ccc(CC(=O)N(C)C)cc1)C(C)C 799450724 JGTLMQMQMGJAMQ-FQEVSTJZSA-N 425.529 4.236 5 20 IIBD CCCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)[C@H](C)CC(=O)Nc1ccccc1 800240483 HVBJFPVFDGNIMH-CQSZACIVSA-N 428.445 4.081 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1c1ccccc1 800657784 BOTFICBZFBPQDE-PKOBYXMFSA-N 445.903 4.381 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)O[C@H]2CCc3cc(Cl)ccc32)cc1[N+](=O)[O-] 803224654 XNJCQFICPCFLFK-INIZCTEOSA-N 430.873 4.372 5 20 IIBD Cc1ccc(-c2csc(NC(=O)COC(=O)c3cc([N+](=O)[O-])cc(C)c3F)n2)cc1 803458935 QBUNDIYGGZJKHR-UHFFFAOYSA-N 429.429 4.270 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cc(C)cc2c1NCC[C@@H]2C 809554549 OGZQZYPOYTXUHZ-UONOGXRCSA-N 427.457 4.015 5 20 IIBD C[C@H](C(=O)N1CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1cccc([N+](=O)[O-])c1 810950115 XEGARZFXWOENBM-QFBILLFUSA-N 431.533 4.194 5 20 IIBD CCc1ccc(C(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1S(C)(=O)=O 811086071 MVGDZIKVYJFUEM-UHFFFAOYSA-N 432.281 4.225 5 20 IIBD O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 812839211 KSMKMHCNWPMMNR-GFCCVEGCSA-N 438.267 4.063 5 20 IIBD Cc1cccc(C(=O)N2CCC[C@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)c1[N+](=O)[O-] 814426923 BIYBAHPKJAWTMC-ROUUACIJSA-N 431.533 4.403 5 20 IIBD CN1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)cc2Cl)CC1 815173575 CYACESFPGXIJBJ-UHFFFAOYSA-N 442.825 4.271 5 20 IIBD COc1cc(COC(=O)[C@H]2CCCCN2C2CCCC2)c([N+](=O)[O-])cc1OC(F)F 815448121 GEUPAJOJSTZFNT-OAHLLOKOSA-N 428.432 4.045 5 20 IIBD COc1ccc(CN(C)C(=O)[C@@H](OC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C(C)C)cc1 877196804 KMCNQABQJOGURM-IBGZPJMESA-N 434.876 4.097 5 20 IIBD CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 914501750 LWYFPKBEKCUHHS-OAHLLOKOSA-N 433.867 4.177 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)CCOc1ccc(Cl)c(Cl)c1 914959775 DOXIPDDZRADCNR-UHFFFAOYSA-N 427.240 4.161 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3cn4c(n3)CCCC4)c2)cc1OC 917497921 JAZUNQTUJNYANC-UHFFFAOYSA-N 436.468 4.454 5 20 IIBD O=C(Nc1cccc(COc2ccccc2)c1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 917855277 TZQOEKKUPBAUTM-KRWDZBQOSA-N 449.438 4.305 5 20 IIBD CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccc(-c3ccccc3)o2)NC(=S)N1 917879570 OOMZGIZBMCKMMB-FQEVSTJZSA-N 434.477 4.286 5 20 IIBD CCc1nc2ccc(C(=O)OCc3nc(-c4ccc([N+](=O)[O-])cc4)no3)cc2nc1CC 918813062 HRAVYLVJPBWYCP-UHFFFAOYSA-N 433.424 4.070 5 20 IIBD Cc1cc(Br)ccc1NC(=O)COC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 919213056 HCPHPWOYMJTLBG-UHFFFAOYSA-N 433.214 4.207 5 20 IIBD Cn1c([C@@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c2ccccc2)nc2ccccc21 1318834114 PHOKWUNYRRFSPL-QFIPXVFZSA-N 427.464 4.296 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[C@H](C)CC2 1323133332 UTCDEVXPMGIFLB-LLVKDONJSA-N 435.527 4.084 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)NC1(c2ccc(NC(=O)[C@H]3C[C@H]3C3CC3)cc2)CCC1 1786049531 SEWLYKHLYFNCOI-ILUDYIOVSA-N 435.480 4.381 5 20 IIBD O=C(CC1CC1)Nc1ccc(C2(NC(=O)Cc3cc(F)ccc3[N+](=O)[O-])CCC2)cc1 1787827884 RQLOIVGCPVZZSF-UHFFFAOYSA-N 425.460 4.211 5 20 IIBD CC(C)O[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc(F)c3[N+](=O)[O-])cc2)CCC1 1790700947 GDJSDWMZMQVURN-OAHLLOKOSA-N 443.475 4.295 5 20 IIBD CC[C@H](C)CC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc([N+](=O)[O-])ccc2F)CC1 1824948552 OBABQTQKTKKIKC-JTSKRJEESA-N 447.551 4.332 5 20 IIBD CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(F)c3[N+](=O)[O-])CC2)CCC1 1830616255 GFQCJTUOJYASBL-IBGZPJMESA-N 431.508 4.157 5 20 IIBD CC1(C)CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(F)c3[N+](=O)[O-])CC2)C1 1830623023 RPQMRSVXAHHFDO-FQEVSTJZSA-N 445.535 4.403 5 20 IIBD C/C=C(/C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CSc2ccccc2[N+](=O)[O-])CC1 1831777077 BTAWPCNZQWQHHK-VONMMYEESA-N 445.585 4.273 5 20 IIBD Cc1ccc(C(=O)N2CC3(CCCN3C(=O)c3c(F)ccc([N+](=O)[O-])c3C)C2)cc1Cl 1845492205 AQAORFLILBMVAP-UHFFFAOYSA-N 445.878 4.135 5 20 IIBD Cc1c(C(=O)N2CC3(CCCN3C(=O)[C@@H](C)c3cccs3)C2)cc(Cl)cc1[N+](=O)[O-] 1846565698 ROLYAEFWRFIZKW-AWEZNQCLSA-N 447.944 4.239 5 20 IIBD Cc1cc(Cl)cc(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccccc3[N+](=O)[O-])C2)c1 1847061037 CHVPUMBOMBZLEE-BQYQJAHWSA-N 439.899 4.087 5 20 IIBD O=C(COC(=O)c1ccc(OC(F)F)cc1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 9349996 BMVMPXXFROBTGR-UHFFFAOYSA-N 434.273 4.011 5 20 IIBD CCCCOc1ccc(C2=N/C(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])C(=O)O2)cc1 15263709 SGSBFBKBCJWPQT-BOPFTXTBSA-N 426.425 4.135 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 15410241 YSGNVGJNZFSBOI-UHFFFAOYSA-N 439.493 4.371 5 20 IIBD Cc1cccc(-c2nc(CC(=O)OCC(=O)Nc3c(C)cccc3[N+](=O)[O-])cs2)c1 17229678 LSPMKYWGBAOEOT-UHFFFAOYSA-N 425.466 4.060 5 20 IIBD C[C@H](Sc1cc(C(=O)NC2CC2)c2ccccc2n1)C(=O)Nc1cccc([N+](=O)[O-])c1 17274752 GXXGCOWWLVKLKJ-ZDUSSCGKSA-N 436.493 4.155 5 20 IIBD C[C@@H](OC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 19426213 XDLBWRGNIUIHSZ-CYBMUJFWSA-N 429.429 4.126 5 20 IIBD CC(=O)N1CCc2cc(NC(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)ccc21 22642967 SHAZEFYOSBTSKU-UHFFFAOYSA-N 430.464 4.368 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(I)cc1Cl 29649612 DYCHKNVRDHDAIL-UHFFFAOYSA-N 445.644 4.212 5 20 IIBD Cc1c(C(=O)Nc2cc(NC(=O)CN3CCCC[C@@H]3C)ccc2F)cccc1[N+](=O)[O-] 59748932 AMKFQFADLDMBTJ-AWEZNQCLSA-N 428.464 4.108 5 20 IIBD CCCCN1C(=O)CC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(OC)cc1 60520222 JVDKTIPBGHBQQG-IRLDBZIGSA-N 425.485 4.322 5 20 IIBD O=C(Nc1ccccc1)c1ccc(Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)cc1 60825907 YMZWVVJIHIEDSD-UHFFFAOYSA-N 426.432 4.119 5 20 IIBD COC(=O)c1ccc(OC(C)C)c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 63621954 ZCUKKKMQAPSJJN-UHFFFAOYSA-N 427.457 4.021 5 20 IIBD COc1ccccc1OCC(=O)Nc1cccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 96470138 CLVYEGAGOZKJML-SDNWHVSQSA-N 447.447 4.273 5 20 IIBD CCOc1cc(C(=O)NCc2cccc(CN3CCC(C)CC3)c2)c([N+](=O)[O-])cc1OC 116530128 ACHPTDQVFHPWLF-UHFFFAOYSA-N 441.528 4.164 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 303004279 IKWJJWYMVJJAOF-KRWDZBQOSA-N 449.477 4.047 5 20 IIBD O=C(CCCOc1cccc(Cl)c1Cl)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 303782734 OQEGPQGPEZDFBE-CYBMUJFWSA-N 439.299 4.169 5 20 IIBD Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 409996618 FRBCKZLYQDKUOH-UHFFFAOYSA-N 449.511 4.145 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N(Cc1cccs1)C[C@@H]1CCCO1 426993475 WFUGULPQVKZAPK-JTQLQIEISA-N 431.333 4.302 5 20 IIBD CCCC(=O)Nc1ccc(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1 435998877 XCTXIQPNRKOMIV-UHFFFAOYSA-N 431.467 4.489 5 20 IIBD O=C(NCC1CCN(Cc2ccccc2)CC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 436303405 BLLNTUQQUKTBBH-UHFFFAOYSA-N 425.532 4.323 5 20 IIBD CC(=O)Nc1ccc(Cl)cc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 438770905 LUXNAZPCUHCVAI-UHFFFAOYSA-N 438.676 4.314 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccc(F)cc1OC(F)F 438773230 ORXLSSAMMUIHCT-UHFFFAOYSA-N 431.175 4.443 5 20 IIBD COCCc1noc(-c2cc(Cl)ccc2NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)n1 439662609 QNLVVDYVLJWRTO-UHFFFAOYSA-N 437.239 4.393 5 20 IIBD CC[C@]1(CO)CCCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 440033111 WUJPQVCPCMAPPA-OAQYLSRUSA-N 434.876 4.426 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC(c2cccc(Br)c2)CC1 440085301 BDSDENVRJWEWBK-UHFFFAOYSA-N 446.301 4.010 5 20 IIBD O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc(Oc2cccc(F)c2)c(Br)c1 441404646 IRYOGEHNIVEGQD-UHFFFAOYSA-N 435.209 4.124 5 20 IIBD Cc1cc(N2CCNC2=O)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C 441474364 NXTHQYBCHJALQZ-UHFFFAOYSA-N 428.514 4.433 5 20 IIBD CC(C)C[C@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C(=O)OC(C)C 444021507 IPTAAYBWLIRCQJ-IBGZPJMESA-N 430.451 4.056 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2ccc(Cl)s2)cn1 448514160 VDRZLLVGCZJMAC-UHFFFAOYSA-N 430.873 4.130 5 20 IIBD O=C(CCOc1ccc(Cl)cc1Br)NCCc1ccccc1[N+](=O)[O-] 460507774 GXCLRXBPHZEZLJ-UHFFFAOYSA-N 427.682 4.139 5 20 IIBD C[C@@H](CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)Oc1cccc(F)c1 460508293 OSWOYIAJAZFLRV-HOTGVXAUSA-N 438.459 4.499 5 20 IIBD Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)cccc1-n1cnnc1O 461097752 KQKPDYIPEOGGKN-UHFFFAOYSA-N 427.486 4.190 5 20 IIBD Cc1c(C(F)(F)F)nn(C)c1NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 461227140 PPGCFOWJGWBOQM-RYUDHWBXSA-N 439.438 4.390 5 20 IIBD O=c1c(Cl)c(N[C@@H]2CCOc3c(F)ccc(F)c32)cnn1-c1ccc([N+](=O)[O-])cc1 461995685 NRDRVQXUGIUZGG-CQSZACIVSA-N 434.786 4.008 5 20 IIBD Cc1cc(C)cc(-c2nnc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc34)s2)c1 464416128 GFCBTGTXSVVYMS-UHFFFAOYSA-N 441.494 4.079 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NCC1(c2ccc(F)cc2)CCCCC1 465174365 YKAKOTWWENUCOM-UHFFFAOYSA-N 428.460 4.066 5 20 IIBD COCc1ccc([C@@H]2CCCN2S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])o1 466575433 JNQKWJNHICVHNT-ZDUSSCGKSA-N 435.285 4.167 5 20 IIBD CNC(=O)[C@@H]1CCCCN1C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 466791583 PSIOGRDNSSEEGA-INIZCTEOSA-N 433.917 4.140 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(Br)cc1C(F)(F)F 467427503 GRZSILWYPHGZAF-UHFFFAOYSA-N 439.209 4.485 5 20 IIBD C[C@H](NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])[C@H](C)N1CCOCC1 467514673 XPTQMCWLYUGMSJ-GJZGRUSLSA-N 449.960 4.238 5 20 IIBD COc1cc(OCC(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)ccc1[N+](=O)[O-] 467834370 ROAXJTILFISKSU-JOCQHMNTSA-N 425.268 4.351 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC(Cc2ccc(F)c(F)c2)CC1 469101902 WRKVZMYUWHTGJJ-UHFFFAOYSA-N 426.423 4.154 5 20 IIBD CCN(CC)C(=O)c1ccc(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1Cl 470606846 PZWLLDMAVZPMCM-UHFFFAOYSA-N 446.891 4.025 5 20 IIBD Cc1ccc([C@H](NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c2ccccn2)cc1 473601654 VPCHEUZMFWPCLA-QHCPKHFHSA-N 428.448 4.131 5 20 IIBD COc1cc(N[C@H]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)cc(OC)c1 475456178 CIKWEMZHHROFOW-ZDUSSCGKSA-N 434.880 4.374 5 20 IIBD COC(=O)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C[C@H]1C 476763065 KOLAXHHGSVYWGC-PBHICJAKSA-N 445.903 4.132 5 20 IIBD COc1cc(C(=O)N[C@@H](c2ccccc2)c2nc3ccccc3n2C)cc([N+](=O)[O-])c1C 478120883 QIEJOXXBTGLHAW-QFIPXVFZSA-N 430.464 4.318 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1 478589307 RVZIQJZZKVPADN-UHFFFAOYSA-N 437.477 4.047 5 20 IIBD C[C@H](CC[S@@](C)=O)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 479899237 IKFRTTXIVCDPAS-KHXSAUHESA-N 426.947 4.286 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c1[N+](=O)[O-] 480207199 CVWOLHYTXKZICJ-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD Cc1cc(C(F)(F)F)nc(Oc2ccc(I)cc2[N+](=O)[O-])n1 480303627 CYCJNIZGRCLFDZ-UHFFFAOYSA-N 425.104 4.109 5 20 IIBD CCOC(=O)[C@@H](c1ccc(Cl)cc1)N(C(=O)c1cccc([N+](=O)[O-])c1OC)C1CC1 484072091 UZZKGXOXRIFNKC-GOSISDBHSA-N 432.860 4.166 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)N(CC(F)F)CCS2 485542132 JFTKQIWAWPJCIV-UHFFFAOYSA-N 436.484 4.478 5 20 IIBD O=C(Nc1cccc(OCc2cccc(F)c2)c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 488397200 NEKYAEJQYIXPBY-UHFFFAOYSA-N 439.447 4.378 5 20 IIBD CC(C)c1ccc(-c2nnc(SCC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)o2)cc1 488865553 VPPGFMZGYVTEPY-UHFFFAOYSA-N 442.453 4.228 5 20 IIBD COc1ccccc1[C@H](CNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)N1CCCC1 489870942 FRUOVNDKMWWOLM-UTKZUKDTSA-N 426.517 4.109 5 20 IIBD COc1cc(CNCC[C@]2(O)C[C@H]3CC[C@H]2C3)ccc1OCc1ccc([N+](=O)[O-])cc1 491590178 XVDJDTBVZSGZIQ-WXVUKLJWSA-N 426.513 4.213 5 20 IIBD O=c1c(Cl)c(N[C@H]2CCC[C@@H]2OCc2ccccc2)cnn1-c1ccc([N+](=O)[O-])cc1 493742160 ZACKEAQPNVWYRY-ICSRJNTNSA-N 440.887 4.344 5 20 IIBD COc1cccc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c1O 494157234 QVKPEBTYTOIRSW-UHFFFAOYSA-N 444.447 4.343 5 20 IIBD COc1ccccc1[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccn1 497598778 SFHVYFFUNGDPOS-LJQANCHMSA-N 429.379 4.119 5 20 IIBD COc1cc(CCNC(=O)N2CCC[C@H](c3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1OC 498135337 GVGOAQNVVRDTHD-INIZCTEOSA-N 445.491 4.273 5 20 IIBD O=C(NCc1ccc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1)C1CCCC1 498148982 AHFKMMMVKAYRTI-QHCPKHFHSA-N 439.537 4.289 5 20 IIBD O=C(N[C@@]1(Cc2ccc(Cl)cc2)CCOC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 500326495 VETXJCWLDRXFKV-GOSISDBHSA-N 428.794 4.399 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)c1 501408800 BJBRFZXYUNLVSZ-UHFFFAOYSA-N 429.885 4.432 5 20 IIBD O=C(N[C@H](COc1ccccc1)c1ccccc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 502326750 OSRXYJPETKPGHH-HSZRJFAPSA-N 428.448 4.331 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1C 503427683 JXGFICFCWVJKBH-UHFFFAOYSA-N 449.554 4.098 5 20 IIBD COc1ccc(N(Cc2cccs2)S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)cc1 503434638 ZVPRRQNAGUFGHJ-UHFFFAOYSA-N 432.523 4.244 5 20 IIBD Cc1cc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)nn1CCCOc1ccc(F)cc1 504357858 BEKDEOIQLCYUIZ-UHFFFAOYSA-N 437.431 4.442 5 20 IIBD O=C(CCc1cc(F)ccc1F)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 506008945 GLWXHUWVBCMMNO-UHFFFAOYSA-N 443.372 4.173 5 20 IIBD COc1ccc([C@H]2CCCN2C(=O)COc2cc(C)c([N+](=O)[O-])cc2Cl)c(OC)c1 506444102 JHNAOCLJDVBMTG-QGZVFWFLSA-N 434.876 4.316 5 20 IIBD CCOc1cc(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Cl)c1O 508080867 ATIYSGBVUOPZSK-UHFFFAOYSA-N 447.797 4.213 5 20 IIBD Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2ccc(F)cc2)c(Br)c1 508270125 MRPZKXVCLYWEHZ-UHFFFAOYSA-N 435.209 4.275 5 20 IIBD CC[C@H](C(=O)OC)N(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 509982154 KCYFENJZNIJUHZ-OAQYLSRUSA-N 428.488 4.140 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1ccccc1[N+](=O)[O-] 512218310 UUGAIYGKHLODDJ-KRWDZBQOSA-N 442.516 4.237 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 512256840 CHHRMIRBTSPEMW-FQEVSTJZSA-N 443.912 4.335 5 20 IIBD C[C@@H](N[C@H](C)c1c(F)cncc1F)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 513246870 FFWYAJDVHBMADM-GHMZBOCLSA-N 433.440 4.069 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)Nc2ccccc2Nc2ccc(F)cc2F)cc1[N+](=O)[O-] 513654999 OUEMAZBZSJDYSW-UHFFFAOYSA-N 447.419 4.272 5 20 IIBD CN1CCC(N(Cc2ccccc2Br)C(=O)c2ccc([N+](=O)[O-])s2)CC1 515360447 MJIIMTJIKZHWSN-UHFFFAOYSA-N 438.347 4.155 5 20 IIBD COCCOc1ncccc1CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 520366887 OUXABWUACJTPSQ-UHFFFAOYSA-N 439.493 4.096 5 20 IIBD CS(=O)(=O)c1cc(C(=O)N(Cc2ccccc2F)c2ccccc2F)cc([N+](=O)[O-])c1 520637695 BQMZNRBZEDOASN-UHFFFAOYSA-N 446.431 4.124 5 20 IIBD CC(C)c1ncc(Cl)c(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 521036963 STMIDXWKTAFBJC-UHFFFAOYSA-N 431.802 4.022 5 20 IIBD Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1I 522739039 ASAQUCOAVRCECF-UHFFFAOYSA-N 430.629 4.342 5 20 IIBD CC(C)(NC(=O)c1cccc(Cl)c1)c1noc(CCCNc2ccc([N+](=O)[O-])cc2)n1 523106664 CVQJBORFMHFUDP-UHFFFAOYSA-N 443.891 4.341 5 20 IIBD CC(C)(C(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)c1ccc([N+](=O)[O-])cc1 523502994 YZQRZWYKXKNJSQ-UHFFFAOYSA-N 442.468 4.483 5 20 IIBD COc1ccc([C@@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc2Cl)cc1 523524416 PKZSKIXKTPPTCE-OAQYLSRUSA-N 446.912 4.466 5 20 IIBD COCCN([C@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 523759163 GFJDQXCZEMGUDL-CQSZACIVSA-N 446.447 4.320 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 523899435 VXNMYPAIYUKXDN-INIZCTEOSA-N 425.489 4.042 5 20 IIBD CCn1cc(S(=O)(=O)N[C@@H](c2ccc(C(C)C)cc2)c2cccs2)c([N+](=O)[O-])n1 533633629 QNQQYYCWOZGUPR-SFHVURJKSA-N 434.543 4.064 5 20 IIBD O=C(Nc1ccccc1NS(=O)(=O)c1ccccc1)c1c[nH]c2cccc([N+](=O)[O-])c12 534224707 SQZVTVDYURBCEZ-UHFFFAOYSA-N 436.449 4.129 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1cccc(-c2cccnc2)c1)C1CC1 536028973 WLKPPAJZFDAAFC-UHFFFAOYSA-N 432.480 4.269 5 20 IIBD CCc1ccc(C2=CCN(C(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)CC2)cc1 537887834 GNXXGHQFVCKWKT-UHFFFAOYSA-N 435.480 4.161 5 20 IIBD Cc1cc(C(=O)NCC(=O)N2CCCC[C@@H]2c2ccccc2C(F)(F)F)ccc1[N+](=O)[O-] 541128822 GBRDTOQCRBQFOU-LJQANCHMSA-N 449.429 4.406 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2cccc(-c3ncn(C)n3)c2)cc1[N+](=O)[O-])c1ccccn1 542176562 CNOZYURFVCPBHR-OAHLLOKOSA-N 443.467 4.211 5 20 IIBD C[C@H](C(=O)Nc1ccnn1Cc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1F 542511473 ROMGVUGQYRJBEE-LBPRGKRZSA-N 447.264 4.483 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])Nc1cc(-c2nnc3n2CCCCC3)ccc1F 543123811 VEXOZIUOQFIHTL-UHFFFAOYSA-N 441.488 4.450 5 20 IIBD COc1ccc(NC(=O)CN[C@@H](Cc2ccccc2)c2sccc2C)c([N+](=O)[O-])c1 543453424 MYXNYPDBZPDFDS-IBGZPJMESA-N 425.510 4.485 5 20 IIBD CCc1nc(-c2nc(Cc3ccc([N+](=O)[O-])c(OC)c3)no2)nn1-c1ccccc1Cl 546471405 YYLXNNGFEHDNPG-UHFFFAOYSA-N 440.847 4.041 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc(CN(C)C(=O)c2ccc(Br)s2)n1 547108276 YCNZGSMBPSDUHN-UHFFFAOYSA-N 437.275 4.049 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F 547241870 ZVGQOJURHQGPEX-UHFFFAOYSA-N 446.794 4.254 5 20 IIBD O=C(CCCc1ccccc1)N[C@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 553608244 XPVGZSPTDXQVTN-KRWDZBQOSA-N 433.455 4.304 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 555030578 HPSGFMMVMAGWSK-SFHVURJKSA-N 445.426 4.053 5 20 IIBD C/C(=C/c1ccccc1)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 555474648 IFGZIACFSGYNIO-LVSKKATPSA-N 433.512 4.430 5 20 IIBD CC[C@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)c1cccc(Cl)c1 556520971 QHNUNHMGEZGVBD-HNNXBMFYSA-N 440.681 4.217 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCc2cn3cc(C)ccc3n2)c([N+](=O)[O-])c1 559689189 BAZAQCQTTJLSAI-UHFFFAOYSA-N 444.447 4.181 5 20 IIBD CN(C)c1cccnc1CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 567798487 LRJCORGDRFHDHB-UHFFFAOYSA-N 431.290 4.368 5 20 IIBD Cc1cnccc1OC1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 574392484 JXMPNBPAJWHVKE-UHFFFAOYSA-N 449.457 4.347 5 20 IIBD COc1cc(OC)cc(C2(F)CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)CC2)c1 580905293 NGCPCKAMIMDLFV-UHFFFAOYSA-N 427.432 4.194 5 20 IIBD O=C(Nc1cccc(-c2nc(Cc3ccccc3[N+](=O)[O-])no2)c1)[C@H]1Cc2ccccc2O1 582996770 WXAWSVAAQCRLNF-OAQYLSRUSA-N 442.431 4.178 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCC=C(c3ccccn3)C2)cc1[N+](=O)[O-])c1ccccn1 583040782 GNZDEXSNVMSIKI-KRWDZBQOSA-N 429.480 4.487 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 584502077 IYEHPLHIVJTHCN-UHFFFAOYSA-N 443.456 4.349 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2csc(-c3ccccc3)n2)c(Br)c1 586750205 KWFCHOJLEYCXFV-UHFFFAOYSA-N 440.300 4.282 5 20 IIBD Cc1c(NC(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)cccc1[N+](=O)[O-] 603646520 RXBKHBJZUOZNCB-UHFFFAOYSA-N 437.283 4.200 5 20 IIBD CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 609442281 TXZADUADCGIECS-OAQYLSRUSA-N 428.460 4.323 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1nc2c(s1)CCN(Cc1ccccc1)C2 609784236 XQIJKEYVFUNWHG-UHFFFAOYSA-N 442.928 4.444 5 20 IIBD CCN(CC)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 610038171 GWTDBQWRZGTMFI-UHFFFAOYSA-N 436.306 4.330 5 20 IIBD NC(=O)C1CCN(c2cccc(Nc3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])c2)CC1 610077494 SNFKUGCXXSLGQD-UHFFFAOYSA-N 444.491 4.271 5 20 IIBD O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 610226727 XCYVTYOZJWTQPU-GOSISDBHSA-N 436.295 4.464 5 20 IIBD CCC[C@@H](C)N(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1nc(C)c(C(=O)OCC)s1 610230492 CLVWSIJFEUCNBX-LLVKDONJSA-N 449.485 4.101 5 20 IIBD CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 611495834 BFEUQZNSWRSCQF-SFHVURJKSA-N 438.311 4.015 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(Cl)c1Oc1cccnc1 619467170 REXLTARBRPNCGP-UHFFFAOYSA-N 435.845 4.245 5 20 IIBD COc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1C 619619690 BTIGZRIEJIDQJT-LLVKDONJSA-N 447.904 4.172 5 20 IIBD Cc1ccc(CN(C(=O)c2cc([N+](=O)[O-])cc(I)c2C)C2CC2)o1 619744689 RZPIGOSCFJLMPX-UHFFFAOYSA-N 440.237 4.214 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OCc2cccc(OC(C)C)c2)ccc1[N+](=O)[O-] 726675888 WYOZXFHPFWFMGR-OAQYLSRUSA-N 426.469 4.038 5 20 IIBD C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 727205835 OFWJJFAJFMUQQQ-SNVBAGLBSA-N 446.765 4.216 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1csc(-c2ccccc2Cl)n1 727563526 NCKJWYRMSZIZTJ-UHFFFAOYSA-N 447.856 4.176 5 20 IIBD COc1cccc(NC(=O)[C@@H](OC(=O)c2cc(C)cc([N+](=O)[O-])c2N)c2ccccc2)c1 727900397 KQKHPZWXWYURNX-NRFANRHFSA-N 435.436 4.031 5 20 IIBD CCc1cc2c(COC(=O)c3cc([N+](=O)[O-])ccc3Br)cc(=O)oc2cc1O 728345213 ZQCSMNAWWJKXPU-UHFFFAOYSA-N 448.225 4.089 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@H](C(=O)N[C@@H]2CCCC[C@H]2C)C(C)C)cc1SC 728649255 IBXZUYUNLRYYJH-MUKKUYKPSA-N 438.546 4.202 5 20 IIBD CC(=O)N[C@@H](CC(=O)OCc1cc([N+](=O)[O-])ccc1OC(C)C)c1ccc(Cl)cc1 729113676 LVMKNTRQIIYPAV-IBGZPJMESA-N 434.876 4.346 5 20 IIBD CCc1ccccc1O[C@@H](C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 730622997 KDSXVGPOAPDOSQ-JOCHJYFZSA-N 434.448 4.120 5 20 IIBD Cc1c(C(=O)COC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)sc2ccccc12 733514775 VKJZUWIKLNVXPU-UHFFFAOYSA-N 436.449 4.047 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(c3cnc4cc(F)c(F)cc4n3)CC2)c(C(F)(F)F)c1 736287971 WRYGMEVUAAHPPD-UHFFFAOYSA-N 439.344 4.162 5 20 IIBD CC1(C)[C@@H](OC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)[C@@H]2CCO[C@H]21 739367729 VSEQJMSNUAFJQS-GTTSAUCSSA-N 426.256 4.058 5 20 IIBD COc1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2Br)ccc1OC(F)F 739579891 OITUCRSJDRYKDC-UHFFFAOYSA-N 432.173 4.324 5 20 IIBD COc1cc(C(=O)OC[C@H]2CCC(=O)N(C)[C@H]2c2cccc(Cl)c2)ccc1[N+](=O)[O-] 740605142 QBFPAGXUWMBZLN-QRWLVFNGSA-N 432.860 4.023 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 741956367 FUCBWUQPVKEOSB-INIZCTEOSA-N 438.259 4.153 5 20 IIBD O=C(CCn1cc([N+](=O)[O-])cn1)O[C@@H](c1ccccc1)c1cc(Br)ccc1F 744183806 XNVZEJIXFSEDDC-IBGZPJMESA-N 448.248 4.416 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cc(F)c(F)cc1I 744381200 PDMCLSNAAJGLPB-ZZXKWVIFSA-N 430.148 4.130 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2CN(C)C(=O)OC(C)(C)C)c1C 745382898 KVIVOKHIVVTCEZ-UHFFFAOYSA-N 449.529 4.379 5 20 IIBD COC(=O)N1CCN(C(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)CC1 746144851 ICYOQVQEBMUOQU-UHFFFAOYSA-N 428.488 4.458 5 20 IIBD Cc1c(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cccc1C(=O)N1CCCC1 748648728 MOCVIUZKOJNVTO-UHFFFAOYSA-N 432.274 4.154 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CC[C@H]2[C@H](CCCN2C2CC2)C1 750924440 QYSQKTYVJLIJMP-ABAIWWIYSA-N 442.741 4.100 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1ccc(F)cn1 751834030 MAYBMYKSVMTEBG-SFHVURJKSA-N 429.791 4.319 5 20 IIBD C/C(=C\C(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1ccccc1OC(F)F 753405537 MCAKHQDEDPFOSK-NTCAYCPXSA-N 447.438 4.454 5 20 IIBD COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCc2c1cccc2[N+](=O)[O-] 754409466 LDJRMDASLLKVLM-FQEVSTJZSA-N 441.484 4.149 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)NC1CCN(C2CCCCC2)CC1 755030421 QZRRRHAHAYWLRR-UHFFFAOYSA-N 425.327 4.276 5 20 IIBD C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 755032020 VPNLZTGGUKUAFM-RPHGYIDUSA-N 440.319 4.320 5 20 IIBD C[C@H](C(=O)OCC(=O)Nc1ccc(N2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1F 755053548 IZXJJNLNKYKLSU-HNNXBMFYSA-N 429.448 4.010 5 20 IIBD C[C@@H](OC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccc(OC(F)(F)F)cc1 755060726 FQOCHGMMEPFVHN-GHMZBOCLSA-N 444.337 4.306 5 20 IIBD CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 758346744 NGCOAYGZDAXZHE-ZDUSSCGKSA-N 444.326 4.171 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2C[C@H](C)O[C@H](c3ccsc3)C2)CC1 759976936 JTWLFOPXHXKHGE-KKSFZXQISA-N 429.542 4.495 5 20 IIBD C[C@@H](NC(=O)NC[C@@H](O)c1cccc(OCc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 760745519 YAFAPKFGDJUWRQ-UZUQRXQVSA-N 435.480 4.268 5 20 IIBD Cc1ccc(-c2noc(Cc3noc(-c4ccc([N+](=O)[O-])cc4Br)n3)n2)cc1 761398080 PDXVWJCFBUPTIB-UHFFFAOYSA-N 442.229 4.357 5 20 IIBD O=C(OCc1ccccc1Oc1cccnc1)c1cc([N+](=O)[O-])ccc1SCCO 763742953 DYDGNSUOZNAWTB-UHFFFAOYSA-N 426.450 4.224 5 20 IIBD COCc1ccc(NC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])cc1 767204639 FEQDRPYBOXVKHY-UHFFFAOYSA-N 429.454 4.038 5 20 IIBD C[C@H](OC(=O)c1ccnn1C1CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 767455682 OLMSDMJOOGTFOU-NSHDSACASA-N 440.378 4.109 5 20 IIBD O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1CCCC[C@@H]1c1ccc(F)cc1F 769845507 HDJYAGSLHWJHIJ-OAQYLSRUSA-N 426.423 4.281 5 20 IIBD CC[C@@H](c1ccccc1)N(CC(=O)OC)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 770034933 VIXPBUIVCLTTMW-INIZCTEOSA-N 435.274 4.124 5 20 IIBD CC[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@@H](O)c1c(F)cccc1F 771706439 XIPDLCABNMFLHJ-UQBPGWFLSA-N 436.458 4.061 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCOC[C@H]1C[C@H](O)c1cccs1 771767075 VYOBOUBZIOQKEM-DOMZBBRYSA-N 445.419 4.032 5 20 IIBD O=C(COC(=O)c1cnc(Cc2ccccc2F)s1)Nc1cc(Cl)ccc1[N+](=O)[O-] 772830519 OFOAQASRHDKEBG-UHFFFAOYSA-N 449.847 4.230 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])OCCc1cc(Cl)cc(Cl)c1 773432767 UHIDBPVWIIKKJD-UHFFFAOYSA-N 431.659 4.071 5 20 IIBD C[C@](O)(C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 773438356 FBROGPMQXHNFBL-MRXNPFEDSA-N 448.191 4.327 5 20 IIBD CC(=O)Nc1cccc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c1 775090831 LCMKLLAYFJYHBA-CYBMUJFWSA-N 445.497 4.238 5 20 IIBD O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c1Br 775202445 RLVAWKBSIOQNKV-UHFFFAOYSA-N 425.182 4.177 5 20 IIBD Cc1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2Br)ccc1OC(C)C 775209440 VIIHXEGQQLZKBL-UHFFFAOYSA-N 429.292 4.254 5 20 IIBD CSc1cccc(C(=O)Nc2cnc(Br)c(Br)c2)c1[N+](=O)[O-] 776866172 NHPZCTOHPCBJAI-UHFFFAOYSA-N 447.108 4.489 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cccc1[N+](=O)[O-] 781258744 FTRNFEOQTLREDC-AWEZNQCLSA-N 445.431 4.082 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCc1csc(-c2ccccc2F)n1 781739544 MOPCYCJHGZTFHB-UHFFFAOYSA-N 431.401 4.442 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)[C@@H](C)Oc2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] 782375097 FMYNGAXLVUJVBX-CHWSQXEVSA-N 440.374 4.260 5 20 IIBD O=C(N[C@@H]1CCc2ccc(F)cc21)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 790711119 JCALBJLHKBCGDO-QGZVFWFLSA-N 434.265 4.252 5 20 IIBD O=C(O[C@@H]1CCOC1=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2 791624727 OWSUEOBJXOCVKK-QTIWRUEGSA-N 444.443 4.492 5 20 IIBD O=C(c1cnc2c(F)cccc2c1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 794278606 KPNPFCSVLZOPTO-UHFFFAOYSA-N 448.376 4.263 5 20 IIBD Cc1ccc(F)cc1-c1nnc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)s1 795646703 ZCFMKZNQBHPTDF-UHFFFAOYSA-N 442.881 4.323 5 20 IIBD CC[C@@H]1CN([C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C[C@@H](C)[S@]1=O 796368359 UXHMXTFCPAYYCQ-JPVPZAKVSA-N 449.960 4.159 5 20 IIBD Cn1nc(C(F)F)c2cc(C(=O)O[C@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)sc21 796765655 MFDRLYQSEHTXOS-QWRGUYRKSA-N 425.417 4.018 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C(C)(C)C1 801585059 CIRRTESAJOXPDV-SFHVURJKSA-N 430.505 4.375 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N(Cc1ccccc1)C[C@H](O)c1ccccc1 804408816 NANJTMWQZMDTMC-QHCPKHFHSA-N 449.463 4.198 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 804428813 YCOVXZMOOGURKW-IKGGRYGDSA-N 449.276 4.141 5 20 IIBD O=C(CCC(=O)N1CCOc2ccccc21)OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811085796 BQOMSSBOVAZGOR-UHFFFAOYSA-N 439.251 4.151 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1[N+](=O)[O-] 815191756 ANDRCPAJXGOZID-UHFFFAOYSA-N 429.263 4.095 5 20 IIBD CC(C)(C(=O)NC[C@H](O)c1cccc(OCc2ccccc2)c1)c1ccccc1[N+](=O)[O-] 815814026 VATLUJDNVQHDHL-QHCPKHFHSA-N 434.492 4.301 5 20 IIBD COc1ccc(-c2nc(COC(=O)c3ccc(Br)c([N+](=O)[O-])c3)co2)cc1 874470187 MZLGHSFMRYPJJC-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD CCOc1ccc(C(=O)Nc2sc(C)c(-c3ccccc3)c2C(N)=O)cc1[N+](=O)[O-] 913193688 RVLRXEYYUAEFKV-UHFFFAOYSA-N 425.466 4.382 5 20 IIBD C[C@@H](OC(=O)c1csc(Br)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 913370469 ZUFQEQHQVRKPLK-SSDOTTSWSA-N 433.667 4.256 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)Nc2n[nH]c3ccccc23)cc1[N+](=O)[O-] 914531348 GHKJQYNSFLXWPB-UHFFFAOYSA-N 429.436 4.020 5 20 IIBD COc1ccc(CSCC(=O)O[C@H](C)C(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] 914915535 CJQLMFINAFPWJL-OAHLLOKOSA-N 432.498 4.024 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(=Cc3cccc(F)c3)CC2)c(S(=O)(=O)N2CCCC2)c1 917083728 DUTKCPUAANLXOP-UHFFFAOYSA-N 445.516 4.202 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc2ccc(OC(F)(F)F)cc2[nH]1 917333278 NGKJTBVLXNOEQI-UHFFFAOYSA-N 448.313 4.382 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1 918438254 IHCIDDOTYOJMPW-UHFFFAOYSA-N 442.491 4.100 5 20 IIBD Cc1c(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cnn1C(C)(C)C 919194117 REKOKOGDBBXVCM-NSHDSACASA-N 442.394 4.058 5 20 IIBD O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)c(Cl)c1)c1ccc([N+](=O)[O-])[nH]1 919867735 QHNOLICFUQEGNJ-UHFFFAOYSA-N 439.903 4.151 5 20 IIBD CCCn1nc(-c2nnc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)o2)c2ccccc2c1=O 1118415080 ONSYTLGNFDIUEH-UHFFFAOYSA-N 445.357 4.451 5 20 IIBD Nc1c(C(=O)N[C@H]2CC3(CCC3)Oc3ccccc32)cc(Br)cc1[N+](=O)[O-] 1335227711 ICUZPCSMUVOMHD-AWEZNQCLSA-N 432.274 4.116 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)NC1(c2ccc(NC(=O)C3=CCCC3)cc2)CCC1 1787622981 GOGFIEKWNCNUNP-UHFFFAOYSA-N 435.480 4.467 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@H]3CCC=CO3)CCC2)cc1)c1ccc([N+](=O)[O-])cc1F 1790622283 QLUDEMUSEQHPCS-HXUWFJFHSA-N 439.443 4.174 5 20 IIBD CC(C)CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)CCC2)cc1 1791257010 MAKWPJZQCYTNJH-UHFFFAOYSA-N 425.485 4.484 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@H]1c1ccccc1 1802211436 RNDXJKARVACEHT-NWYKNIFASA-N 445.519 4.050 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1824342897 OSKJISZAQPTYSS-AVRDEDQJSA-N 429.561 4.193 5 20 IIBD C[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)CC1 1832367853 RTKOPXZNZSTHEM-BHIYHBOVSA-N 431.533 4.247 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/C(C)C)CC1 1832512708 QAFSYNBLCREBLK-DUIUGDAFSA-N 443.544 4.054 5 20 IIBD Cc1cc(CCCC(=O)N2CC3(CCCN3C(=O)C3CC(C)(C)C3)C2)c([N+](=O)[O-])cc1F 1846417431 PEYXJIRLENRILK-UHFFFAOYSA-N 445.535 4.005 5 20 IIBD O=C(c1ccc(C2CC2)cc1)N1CC2(CCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 1847058378 JKALIAGRONKEBH-OUKQBFOZSA-N 431.492 4.003 5 20 IIBD Cc1cc(C)c(NC(=O)COC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c(Cl)c1 9848997 PTLPXZGYEHJPES-UHFFFAOYSA-N 441.665 4.423 5 20 IIBD C[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)NCc1ccccc1Cl 10723331 LTQYJNODSJKVIZ-INIZCTEOSA-N 448.906 4.056 5 20 IIBD Cc1ccc(CSCCNC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 15031986 OMHIYGASHUQCMI-UHFFFAOYSA-N 438.553 4.428 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C)cc1 15410915 HLHKPJPKOZETLT-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD COCc1c(C(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])sc2cccc(F)c12 16143858 IEEPCYABEXKVJY-UHFFFAOYSA-N 448.472 4.085 5 20 IIBD CCc1cc(=O)oc2cc(Oc3ccc(S(=O)(=O)C(F)(F)F)cc3[N+](=O)[O-])ccc12 18056829 PSMTURCUHDJJNR-UHFFFAOYSA-N 443.355 4.349 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)OCc2csc(-c3ccc(OC)cc3)n2)cc1OC 19159484 RSMVTMQCYLMYFN-UHFFFAOYSA-N 444.465 4.491 5 20 IIBD CCC[C@H](C)NC(=O)[C@@H](C)OC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 22670011 WWTVDOKMHXXZNL-UONOGXRCSA-N 446.887 4.329 5 20 IIBD C[C@H](c1ccc(F)c(F)c1)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br 23666408 ALNRKTCCOLSBEF-SNVBAGLBSA-N 428.233 4.267 5 20 IIBD C[C@@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 24970034 KWJKPHHRVKLYRL-CYBMUJFWSA-N 434.477 4.114 5 20 IIBD Cc1ccc(C(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)CC2)c(C)c1 26882803 CTBYEEKWBPMDKM-UHFFFAOYSA-N 430.526 4.112 5 20 IIBD CCOc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)c([N+](=O)[O-])c1 28831419 MPURUKKBDXEMFV-UHFFFAOYSA-N 433.877 4.163 5 20 IIBD O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccc(Br)cn1 29310148 WAPMIYDBQZOIIM-UHFFFAOYSA-N 425.289 4.093 5 20 IIBD Cc1ccc(NC(=O)[C@H](Sc2nnnn2CC(C)C)c2ccccc2)c([N+](=O)[O-])c1 29593706 LOXFVGWGSKBGNT-GOSISDBHSA-N 426.502 4.018 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)Cc2nccn2C(F)F)cc1 30606540 NIOWHQHKRJJPJW-UHFFFAOYSA-N 432.383 4.260 5 20 IIBD COc1cc(C(=O)N[C@@H](C)c2cc(C)oc2C)c([N+](=O)[O-])cc1OCc1cscn1 109285089 KOJKXMCEXJSZTH-LBPRGKRZSA-N 431.470 4.340 5 20 IIBD O=C(Nc1ccc(Cl)cc1-n1cccc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 111003900 KPPLKRHQYALFML-UHFFFAOYSA-N 426.860 4.128 5 20 IIBD C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 111141315 CEPMOFHNSBIMPW-GOSISDBHSA-N 446.507 4.101 5 20 IIBD CC(C)(C)NS(=O)(=O)c1ccccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 115802184 ICMKDYMJVIZEFW-UHFFFAOYSA-N 433.511 4.139 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cn(-c2ccccc2Cl)nn1 116145040 ZASJHVYIWZVEPO-UHFFFAOYSA-N 426.845 4.205 5 20 IIBD CCC(CC)C(=O)N1CCC(Nc2ccc(I)cc2[N+](=O)[O-])CC1 301060967 DPJOVRPVAUOQIX-UHFFFAOYSA-N 445.301 4.039 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCc1ccc(Br)s1 301229086 GUAGDKQRNAMNTD-UHFFFAOYSA-N 427.248 4.027 5 20 IIBD O=C(Nc1n[nH]c(Cc2cccc(F)c2)n1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 429332717 TWAWHVRDFFIOHW-UHFFFAOYSA-N 447.426 4.274 5 20 IIBD CN(C)[C@@H]1CCCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 429553837 QKZJJNAEFJCAIP-UTKZUKDTSA-N 430.936 4.344 5 20 IIBD COc1ccc(CSCC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] 430652946 YKHSXNQSECMQHM-PXNSSMCTSA-N 443.569 4.006 5 20 IIBD COc1cc(C(=O)N[C@H]2CCC[C@H]2OCc2ccccc2)c([N+](=O)[O-])cc1OC(F)F 430864410 SXUANZYSRRLOOU-DOTOQJQBSA-N 436.411 4.073 5 20 IIBD COc1ccccc1-c1noc(C2CCN(c3cc(OC)c([N+](=O)[O-])cc3F)CC2)n1 432856387 ZWFRQFWJQNOXPN-UHFFFAOYSA-N 428.420 4.185 5 20 IIBD C[C@]1(CCc2ccccc2)CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C1 434234893 FUQZDADWAWHINH-MBSDFSHPSA-N 441.553 4.132 5 20 IIBD COc1cccc(COCCNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1 435322548 DTPDVLCOZQPOQJ-UHFFFAOYSA-N 438.278 4.013 5 20 IIBD O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1 435599942 WXLKYOJMATXTRO-JCNLHEQBSA-N 428.432 4.022 5 20 IIBD O=C(NCc1cc(Cl)c2c(c1)OCCO2)c1cccc2c(=O)c3cccc(F)c3[nH]c12 436096406 FOJZNANKISRQJQ-UHFFFAOYSA-N 438.842 4.175 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c2cc(Br)ccc2O1 436351809 DTZTXLJKALAPLF-ZDUSSCGKSA-N 446.301 4.385 5 20 IIBD C[C@H](Oc1ccc(F)cc1Br)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437125521 PTGSTPKEXDLJNR-LBPRGKRZSA-N 437.265 4.455 5 20 IIBD CN(C(=O)CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])C1CCCCC1 441042891 GFMJJYUUEVLSQD-UHFFFAOYSA-N 427.526 4.267 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](c2c[nH]c3ccccc23)C(F)(F)F)cc1C 443452750 IPMUSEOUPCJRAY-QGZVFWFLSA-N 427.404 4.275 5 20 IIBD COC(=O)C1(c2ccccc2)CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 444835304 NEVUFUWOWFNYNC-UHFFFAOYSA-N 440.499 4.028 5 20 IIBD CC(C)NC(=O)Nc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1 445667244 ZLALKYMHOAXRRQ-UHFFFAOYSA-N 435.278 4.068 5 20 IIBD O=C(c1cc(C(=O)N2CC3(CCC3)[C@H]2C2CC2)cc([N+](=O)[O-])c1)N1CC2(CCC2)[C@H]1C1CC1 460973016 KIUIVNIFDWCFIK-FGZHOGPDSA-N 449.551 4.404 5 20 IIBD Cc1ccc(-c2nnc(N(C)CCc3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCCO2)o1 461810903 HHSAFZZRBSLGFN-IBGZPJMESA-N 425.489 4.003 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)N1CCC(F)(F)[C@H](CO)C1 462669243 RCBKLELMBBPCIU-LBPRGKRZSA-N 442.871 4.489 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(=Cc3cccc(F)c3)CC2)c2ncccc12 463662100 CVXVTZZJJAOLFE-UHFFFAOYSA-N 427.457 4.150 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1OC 464725162 VLVVHTGHXAFOCE-GOSISDBHSA-N 431.876 4.063 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CN[C@H](c3cccc(C(F)(F)F)c3)c3nc[nH]n3)co2)cc1 468490515 YRSOCMZZVMWMAS-QGZVFWFLSA-N 444.373 4.266 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NCCCCCO 468492289 NPPWNWPMPXHABE-VKAVYKQESA-N 425.510 4.414 5 20 IIBD COC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccc(Cl)cc1 470498550 SBBXBRIMQBDHHL-INIZCTEOSA-N 427.682 4.057 5 20 IIBD C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 472504494 SYKORMFSMPZWTL-HROJSSOGSA-N 436.556 4.081 5 20 IIBD Cc1ccc(C(=O)N[C@H](C)c2nc(-c3ccc(Br)cc3)no2)cc1[N+](=O)[O-] 472685886 KGGIKBRPJKATEV-LLVKDONJSA-N 431.246 4.207 5 20 IIBD CC(C)Oc1ccc(CC[C@H](C)NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 473384685 FGNRTUAMQHKBBH-AWEZNQCLSA-N 433.892 4.111 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H](CO)Cc1ccccc1C(F)(F)F 475638608 KMSLIFXMAVWKFE-CQSZACIVSA-N 425.407 4.203 5 20 IIBD CC(=O)C[C@H]1COCCN1C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 478252744 MWGWTAPRQQGKJQ-HNNXBMFYSA-N 434.901 4.220 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc2c(c1)CCC(=O)N2CC1CC1 482591047 YMMKXBMTKRZWFN-UHFFFAOYSA-N 442.903 4.302 5 20 IIBD Cc1c(NC(=O)NC[C@@H](CO)c2ccccc2Cl)cc(Br)cc1[N+](=O)[O-] 483360040 YJAAUUWLEVTZNI-NSHDSACASA-N 442.697 4.217 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N(c1cccc(F)c1)C1CCOCC1 485522567 XNYQUUPSZFFLGE-UHFFFAOYSA-N 429.267 4.384 5 20 IIBD COC(=O)c1cc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc(Cl)c1F 486101723 OZACNBPDXGDGNO-UHFFFAOYSA-N 437.630 4.250 5 20 IIBD COC(=O)c1c(Br)ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c1C 486285376 QYXVLACBXBMTGE-VIFPVBQESA-N 439.237 4.334 5 20 IIBD Cc1cc(Br)cc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 486600851 JAQPJQTVJZFQLZ-GOSISDBHSA-N 446.301 4.217 5 20 IIBD Cc1ccccc1-n1c(SCc2c(Cl)cccc2[N+](=O)[O-])nnc1N1CCOCC1 487696056 OBHLYQVHLDDUIX-UHFFFAOYSA-N 445.932 4.266 5 20 IIBD Cc1ccc([C@H](C)NC(=O)c2nccnc2C(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] 488056513 KPZYFGHGLUFFJO-ZDUSSCGKSA-N 439.859 4.090 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1nnc(/C=C\c2ccco2)s1 490314330 GJCXBZVNFCCSFJ-WAYWQWQTSA-N 435.259 4.153 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC(n2ccc(C(F)(F)F)n2)CC1 490980367 JAVDWFCVALZBGL-UHFFFAOYSA-N 447.211 4.050 5 20 IIBD O=C(NC1CC1)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1 494048166 LVPVNVIBKFEEHE-UHFFFAOYSA-N 430.464 4.351 5 20 IIBD COc1cccc(-c2noc([C@H](C)NC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)n2)c1 494457109 RBEAGDBOMNPQRO-AWEZNQCLSA-N 437.456 4.089 5 20 IIBD COC(=O)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(Cl)c(F)c1 497356631 AYODXQHKXWRCNR-AWEZNQCLSA-N 446.765 4.023 5 20 IIBD CC[C@@H](C(=O)N1CCC(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1)c1ccccc1 498283437 RMDBDSDCJKPMGE-LJQANCHMSA-N 446.507 4.058 5 20 IIBD Cc1cc(C(=O)Nc2ccc(CCn3nnc(-c4ccccc4)n3)cc2)cc([N+](=O)[O-])c1 499447262 IJCAMSLFVDPISP-UHFFFAOYSA-N 428.452 4.052 5 20 IIBD Cc1c(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cccc1C(=O)N1CCSCC1 499493171 VLXYTWKXISGNKB-OAHLLOKOSA-N 445.566 4.212 5 20 IIBD CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 500966371 CMMZZIVUGZDQJZ-UHFFFAOYSA-N 445.317 4.043 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 501597004 SNIGXWPEENFWEE-DZGCQCFKSA-N 438.509 4.022 5 20 IIBD Cc1ccc(CNC(=O)c2cccc(CNC(=O)N(C)Cc3ccccc3[N+](=O)[O-])c2)cc1 503092391 XSQJOGOOLNYSRQ-UHFFFAOYSA-N 446.507 4.175 5 20 IIBD CCOc1ccc([C@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 503445810 GIZYEGLVYLVAPL-HSZRJFAPSA-N 440.521 4.245 5 20 IIBD Cc1c(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)cccc1[N+](=O)[O-] 504872127 ZCRVYVVTFJYDIL-FQEVSTJZSA-N 431.920 4.139 5 20 IIBD C[C@@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccc(Oc2ccccc2)cc1 506288989 HZEBOZULGCJFQX-MRXNPFEDSA-N 429.436 4.459 5 20 IIBD COc1cc(CNCCn2cnc3ccccc32)c([N+](=O)[O-])cc1OCc1ccccc1 507928998 GHHYXVHXJHNARY-UHFFFAOYSA-N 432.480 4.322 5 20 IIBD O=C(Nc1ccc(-n2cncn2)c(F)c1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 509482422 ZIYMPVFVKAVSFP-UHFFFAOYSA-N 432.415 4.179 5 20 IIBD COc1cc(C)ccc1Oc1ccc(NS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1F 511724292 VFIDTKAIAGWPLZ-UHFFFAOYSA-N 448.428 4.350 5 20 IIBD COc1ccc([C@@H](C)NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1Br 512473928 GZWCGRKWRFZIKQ-LLVKDONJSA-N 425.304 4.335 5 20 IIBD CC1(C)CCC[C@H]1N(Cc1ccccc1)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 513832823 QFXGSLVDXZDHOX-HXUWFJFHSA-N 430.526 4.219 5 20 IIBD Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)CCn1cc([N+](=O)[O-])nc1C 517361843 QEWAOYJRLAXGHI-NSHDSACASA-N 433.921 4.453 5 20 IIBD CO[C@@H](C)C(=O)Nc1cccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 520450455 JSVDXXACFNFXGO-INIZCTEOSA-N 440.500 4.057 5 20 IIBD CC(C)c1ccc(NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C(C)C)c1 521128930 QBKQTFIIQKVXGC-UHFFFAOYSA-N 433.530 4.149 5 20 IIBD O=C1c2ccccc2N[C@H](c2csc(-c3cccc([N+](=O)[O-])c3)n2)N1C[C@H]1CCCO1 522195527 ZQYVDIMBBWODLT-UZLBHIALSA-N 436.493 4.464 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCC(=O)N(C)C)c(Cl)c1 522462318 VLLSMJIONQCOBO-UHFFFAOYSA-N 448.907 4.158 5 20 IIBD CCC(CC)(CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H](C)c1ccccc1 523119305 WZDIIBIUXULPRJ-HNNXBMFYSA-N 446.935 4.213 5 20 IIBD C[C@H](c1ccccn1)N(C)C(=O)c1ccc(C(=O)N(C)[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 524352478 FAQZYNVKKHLRBF-IAGOWNOFSA-N 447.495 4.051 5 20 IIBD COc1cc(OCC(=O)Nc2c(C)cnn2[C@@H]2CCCc3ccccc32)ccc1[N+](=O)[O-] 524375732 XWWVUKCBLPXPOH-LJQANCHMSA-N 436.468 4.052 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(CN3CCOCC3)c2)no1 524638922 GEUFTXNNPHJLKL-HNNXBMFYSA-N 426.498 4.330 5 20 IIBD CC[C@H]1CCC[C@@H](NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 524849252 BIPBYRQWLYUBGH-MAUKXSAKSA-N 431.514 4.094 5 20 IIBD CC(C)(C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 525068664 GSWSKWGWBPQFHV-UHFFFAOYSA-N 439.493 4.312 5 20 IIBD COc1ccccc1N(C(C)=O)c1nc(CN2CCc3ccc([N+](=O)[O-])cc3C2)cs1 533759656 JAVZCSGQMYRLOS-UHFFFAOYSA-N 438.509 4.303 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(OCC(=O)N(CC)CC)c(Cl)c1 537023105 LOLMRYMRAVCIDD-UHFFFAOYSA-N 449.891 4.146 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] 537438023 KGEIXZDTWBHSTE-NVXWUHKLSA-N 435.402 4.313 5 20 IIBD Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 538700925 GXMPFTAJKYUNFN-LJQANCHMSA-N 431.920 4.060 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1)N1CCC(Cc2cccc(F)c2)CC1 539415298 BYYAJSRSMIOTDZ-UHFFFAOYSA-N 441.488 4.098 5 20 IIBD COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 540857540 AHSLNEUDXXFZIH-UHFFFAOYSA-N 449.250 4.190 5 20 IIBD O=c1c2ccccc2nc(SCc2ccc([N+](=O)[O-])cc2Cl)n1C[C@@H]1CCCO1 542011978 JRALEBFBHCUSIL-HNNXBMFYSA-N 431.901 4.429 5 20 IIBD COCCOc1c(Cl)cc(NC(=O)NCc2cc([N+](=O)[O-])ccc2OC)cc1Cl 543308696 MXXNAKJBIPIQCH-UHFFFAOYSA-N 444.271 4.257 5 20 IIBD COc1cccc2c1CCN(C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 543869679 GOURFFZYPHGUGL-UHFFFAOYSA-N 426.416 4.299 5 20 IIBD NC(=O)c1ccc(SCc2nc(-c3ccc(Oc4cccnc4)cc3)no2)c([N+](=O)[O-])c1 544462925 CMFMWZAQSUPYJI-UHFFFAOYSA-N 449.448 4.223 5 20 IIBD O=[N+]([O-])c1ccc(-n2cc(-c3nc(Cc4ccc(Br)cc4)no3)cn2)cc1 544934443 OKJPXDSTNBHCDE-UHFFFAOYSA-N 426.230 4.184 5 20 IIBD COc1ccc(Cc2noc(-c3ccc(N[C@H](C)c4ccccn4)c([N+](=O)[O-])c3)n2)cn1 544963404 AYGIIZSYDUBNOM-CQSZACIVSA-N 432.440 4.207 5 20 IIBD COc1cc(OCc2nc(Cc3ccc(Br)c(F)c3)no2)ccc1[N+](=O)[O-] 545142855 BUBQQWNECGBWMN-UHFFFAOYSA-N 438.209 4.058 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCOC2(CCOCC2)CC1 545301047 YYKWLIOUMIABLY-UHFFFAOYSA-N 428.510 4.158 5 20 IIBD CC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 547428702 CKVSZSSVHLSKKA-ZHRRBRCNSA-N 432.480 4.093 5 20 IIBD COc1ccc(CN2CCC[C@@](CO)(C(C)C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 552407877 IFAQFQZVEHSOGS-XMMPIXPASA-N 428.529 4.413 5 20 IIBD O=C([C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N(Cc1ccc(Cl)cc1)C1CC1 554210673 MWUYPYQDAYZATF-MRXNPFEDSA-N 433.917 4.106 5 20 IIBD O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 554736296 DJCLMBLVMOTNQD-UHFFFAOYSA-N 427.323 4.089 5 20 IIBD CC[C@@H]1CN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C[C@@H](C)[S@@]1=O 557578299 OQFNJAJQGBBFIE-HCELYDKLSA-N 449.960 4.232 5 20 IIBD CC(C)CCOc1ccccc1CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 558083869 DFXMHOLJIRYZMV-KRWDZBQOSA-N 445.541 4.002 5 20 IIBD COC(=O)c1cc(F)c(Br)cc1NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 558226450 GKCOLTHVWXKIMG-VIFPVBQESA-N 425.210 4.025 5 20 IIBD CSc1ccc([C@@H](CN[C@H](c2cccc([N+](=O)[O-])c2)c2nccn2C)N(C)C)cc1 559919833 SLJIEYWDESPSOM-NHCUHLMSSA-N 425.558 4.032 5 20 IIBD C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1)c1cccc([N+](=O)[O-])c1 564715317 DCNWIMXJSGXUAR-MRXNPFEDSA-N 445.541 4.290 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 570208813 GXGHUPBKSGLRNI-CYBMUJFWSA-N 425.411 4.321 5 20 IIBD C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N(C)Cc1cc(C(C)(C)C)n[nH]1 570637013 IILZDJXIAUMZPJ-CYBMUJFWSA-N 442.545 4.198 5 20 IIBD COCc1nc(CN[C@@H](c2cccc([N+](=O)[O-])c2)c2nccn2C)c(-c2ccccc2)s1 576417795 RPXYWTSLQWUQEA-NRFANRHFSA-N 449.536 4.477 5 20 IIBD CC1(C)C(=O)N[C@@H]1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 583342255 XHBFTHAOSFGLDI-HXUWFJFHSA-N 439.537 4.123 5 20 IIBD COc1ccc(Sc2nsc(NC(=O)N(C)Cc3ccccc3[N+](=O)[O-])n2)cc1 584498070 XMVCEHLUCNOXBD-UHFFFAOYSA-N 431.499 4.270 5 20 IIBD C[C@@H](C(=O)N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1 584697734 LKVDWIHMZCZPRK-QRQCRPRQSA-N 430.464 4.380 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N(C)Cc3ccc(Br)o3)cc2)c(C)c1[N+](=O)[O-] 603613066 MHFVVTTTXOAZSK-UHFFFAOYSA-N 447.289 4.084 5 20 IIBD CCOc1cc(C(=O)N2CCC(N3c4ccccc4C[C@H]3C)CC2)c([N+](=O)[O-])cc1OC 603920090 MLPJFPLYWURGGC-MRXNPFEDSA-N 439.512 4.058 5 20 IIBD C[C@H](CC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccc(F)cc1 604114350 ZOJCNYOCXUKNNB-GFCCVEGCSA-N 449.485 4.156 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2c2nc3ccccc3n2C)cc1OC 604387781 YZALALZCBIADOA-GOSISDBHSA-N 438.484 4.256 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604473569 NBUWVUBKQOOZLP-GHMZBOCLSA-N 448.385 4.345 5 20 IIBD O=C(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 609151065 SJXRRXRBWXIJJI-LJQANCHMSA-N 431.408 4.022 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1ccc(-c2nc3ccccc3[nH]2)cc1 609421373 MQWRUMGHZHERFP-UHFFFAOYSA-N 425.448 4.409 5 20 IIBD C[C@@H](Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C(=O)N1CC(=O)Nc2ccccc21 609769191 NXRSMZGKOQXCQH-OAHLLOKOSA-N 432.436 4.173 5 20 IIBD O=C(c1nc(-c2cccs2)n(-c2ccccc2)n1)N1CCCc2ccc([N+](=O)[O-])cc21 609859456 BONNEVRSTFOTPH-UHFFFAOYSA-N 431.477 4.497 5 20 IIBD CCO[C@@H]1C[C@@H](Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])C12CCC2 610211026 MCTNGBGYMNFODX-WOJBJXKFSA-N 431.514 4.155 5 20 IIBD C[C@@H]1CN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H](C)S1 610300645 DJZNIUSHIPFFQQ-IAGOWNOFSA-N 436.537 4.342 5 20 IIBD COc1cc(CN(C)C[C@@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC(F)F 610372487 DWTJBOVNHBPGBN-KRWDZBQOSA-N 435.471 4.159 5 20 IIBD COC(=O)c1c(C)cccc1S(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 611024225 GLXVNNJOOPJMJT-UHFFFAOYSA-N 440.477 4.085 5 20 IIBD O=[N+]([O-])c1cc(Cl)c(-n2ccc(-c3nc(COCC(F)(F)F)no3)n2)c(Cl)c1 612874482 WQFLVCONZAHKJA-UHFFFAOYSA-N 438.149 4.216 5 20 IIBD CC(C)(C)OC(=O)N1CCc2cc(NC(=O)CCNc3ccccc3[N+](=O)[O-])ccc21 726509423 ODQCXCXDEPFZER-UHFFFAOYSA-N 426.473 4.333 5 20 IIBD CC[C@@H](OC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2)C(N)=O 726992324 JVHASCNUVLSSOW-QTIWRUEGSA-N 445.475 4.441 5 20 IIBD CCc1ccc([C@H](C)NC(=O)[C@@H](C)OC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])cc1 728656477 KZMDPLGZSZSZKB-UONOGXRCSA-N 446.525 4.310 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2CCc3c(C)cccc3C2)c([N+](=O)[O-])c1 729183198 HYYJLVWRZWBSCK-UHFFFAOYSA-N 430.460 4.484 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N1CCC[C@@H](n2ccnc2)C1 729266509 IIXGCCOQSCTGNO-NQIIRXRSSA-N 439.903 4.462 5 20 IIBD O=[N+]([O-])c1ccc([C@@H](O)CNCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 730100865 WLDRCFFWXVSULZ-QHCPKHFHSA-N 432.455 4.410 5 20 IIBD C[C@@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1nc2ccc(Cl)cc2[nH]1 732517106 GMIVLZAGLFIFMC-YGRLFVJLSA-N 448.888 4.095 5 20 IIBD C[C@@H](OC(=O)CNc1ccccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 733499134 VQVQXBWKWCZLEC-SNVBAGLBSA-N 445.781 4.249 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])OCc1nc(-c2cccc(Cl)c2)no1 735009786 MIOMJVROVGJMLF-UHFFFAOYSA-N 438.223 4.464 5 20 IIBD C[C@@H](OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1nc2cc(Br)cnc2[nH]1 737334063 WGUUHZHBGKXDGQ-SSDOTTSWSA-N 425.626 4.200 5 20 IIBD COc1cc(N2CCC(OC(=O)c3sc(C(C)(C)C)nc3C)CC2)ccc1[N+](=O)[O-] 739378945 AOBXQLOBCMDVAK-UHFFFAOYSA-N 433.530 4.492 5 20 IIBD COC(=O)c1sc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)nc1C(C)(C)C 746581466 RHJJJZHOYVJMIM-UHFFFAOYSA-N 442.291 4.150 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 746668345 HOQWTPCTGLZQKW-UHFFFAOYSA-N 440.739 4.251 5 20 IIBD O=C(Nc1ccc(CN2C(=O)CSC2=O)cc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 746856287 JDHGNBXTUIQMCN-UHFFFAOYSA-N 439.371 4.061 5 20 IIBD CC(=O)c1ccccc1NC(=O)[C@H](C)OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 747961776 IICGWXYTIBTPMZ-ZDUSSCGKSA-N 439.449 4.105 5 20 IIBD O=C(OCc1nc(-c2ccc(F)cc2)no1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 747962789 UAHBGNCSBVZZKN-UHFFFAOYSA-N 426.385 4.264 5 20 IIBD CC(C)(C)OC(=O)NCCCOC1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 748836858 WDHIVZVNNFGUSC-UHFFFAOYSA-N 427.929 4.144 5 20 IIBD O=C(OCc1ccnc(-c2ccc(Br)cc2)n1)c1ccc(F)cc1[N+](=O)[O-] 750039377 ZABCKLJCPFNOQU-UHFFFAOYSA-N 432.205 4.310 5 20 IIBD C[C@@H](NC(=O)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2)c1cc(Cl)ccc1Cl 751227246 GHKLPKFJVKXMOD-MRVPVSSYSA-N 442.211 4.072 5 20 IIBD C[C@H](C[C@@H](O)c1cccs1)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 751942057 LQSYNUAZXWDTTO-AUUYWEPGSA-N 447.538 4.381 5 20 IIBD O=C(Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)c1)c1ccc([N+](=O)[O-])cc1F 752865890 SRZJOIFGEAETEF-UHFFFAOYSA-N 442.334 4.286 5 20 IIBD Cc1cc(F)cc(C(=O)Nc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)c1[N+](=O)[O-] 753090954 PQCPUBOQIUDJLO-UHFFFAOYSA-N 436.465 4.044 5 20 IIBD C[C@H](OC(=O)Cc1ccc(F)c(F)c1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 756628808 JQELXMOBLTXYHM-NSHDSACASA-N 447.419 4.109 5 20 IIBD C[C@@H](C(=O)N1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 761647521 OVOLEWCIWAXRGI-OXQOHEQNSA-N 431.533 4.336 5 20 IIBD O=[N+]([O-])c1ccc(OCc2nc(Cc3cn4cc(Cl)cc(Cl)c4n3)no2)cc1F 761921562 BXRAVOAEZGHQQU-UHFFFAOYSA-N 438.202 4.241 5 20 IIBD COc1ccccc1[C@@H]1CCCCN1c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] 764169485 ARXBJSARKGNAOC-HNNXBMFYSA-N 426.441 4.331 5 20 IIBD O=C(OCc1cc(F)cc(Br)c1)c1cc(Br)ncc1[N+](=O)[O-] 769824307 CKVXTEALFMBWEI-UHFFFAOYSA-N 434.015 4.011 5 20 IIBD O=C(OCc1nc(-c2ccc(F)c(F)c2)no1)c1cc(Br)cc([N+](=O)[O-])c1 770159725 SDTYITHPJPAVES-UHFFFAOYSA-N 440.156 4.043 5 20 IIBD Cc1ccc([C@](O)(Cc2noc([C@H](C)c3ccc([N+](=O)[O-])cc3F)n2)C(F)(F)F)o1 770905707 WLISIGWDOFIDOD-BMLIUANNSA-N 429.326 4.163 5 20 IIBD C[C@H](CC(=O)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])NC(=O)C1CCCCC1 776131961 GHLQQCVXRLASCI-OPAMFIHVSA-N 425.485 4.098 5 20 IIBD Cc1cccc(-n2nnc(C(=O)O[C@H](c3cccnc3)c3ccccc3[N+](=O)[O-])c2C)c1 776139143 NTGKNCLUDCNLCV-JOCHJYFZSA-N 429.436 4.134 5 20 IIBD CC[C@H](C)n1nc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1C 778162343 OVGGCGHKGJZYEY-JQWIXIFHSA-N 442.394 4.274 5 20 IIBD C[C@H]1CCCC[C@H]1N(C)C(=O)COC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781258263 ZMNPRHUWDVQRIK-RNODOKPDSA-N 442.462 4.153 5 20 IIBD O=C(OCc1nc(-c2cccs2)no1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781258274 ZNWDWNAICILDBS-UHFFFAOYSA-N 439.399 4.428 5 20 IIBD Cc1cc(F)ccc1N1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)C1 782172628 NTWBDPYBNVLNEJ-AWEZNQCLSA-N 436.281 4.204 5 20 IIBD O=C(c1cc(-c2cccnc2)nc2ccccc12)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 787508939 TZNLMFZNBUCINK-UHFFFAOYSA-N 426.432 4.108 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc(-c2ccccc2)n(-c2ccccc2)n1 791603973 OIGUCLWPTRFJIX-UHFFFAOYSA-N 445.391 4.108 5 20 IIBD O=C(COC(=O)c1ccc2cc(O)ccc2c1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 792721278 DBLVEZBKMLBBTO-UHFFFAOYSA-N 434.326 4.268 5 20 IIBD CCc1[nH]nc(C(=O)O[C@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)c1[N+](=O)[O-] 795610645 ATXWQVQYJFNSSF-SSDOTTSWSA-N 426.216 4.155 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(Cl)cc2C(=O)NCC2CC2)c1 798327946 CGWIQNKVKGBTJN-UHFFFAOYSA-N 431.876 4.104 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 803762642 QYPQZWQURYVVSC-CQSZACIVSA-N 425.890 4.415 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(C)[C@H](C)Cc1ccccc1C(F)(F)F 807454044 JQCFBAKVDGGBTA-LLVKDONJSA-N 441.381 4.089 5 20 IIBD O=C(CCCc1ccccc1)N[C@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 809914837 GYLNSUSTZBRTEC-KRWDZBQOSA-N 444.919 4.384 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)/C=C/c1ccc(I)o1 811931322 YUQBOUYAYQHTEL-QPJJXVBHSA-N 446.628 4.118 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc(N2CCCNC2=O)cc1 812760021 QKYIEAXBVGNXFL-AWEZNQCLSA-N 428.514 4.118 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c1 814235075 RSFVDTVBDPEYQD-UHFFFAOYSA-N 446.503 4.392 5 20 IIBD Nc1ccc(NC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)cc1[N+](=O)[O-] 819910082 MXQXUPLCCDTMAY-UHFFFAOYSA-N 442.541 4.218 5 20 IIBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Oc1ccccc1-c1nc2ccccc2s1 832363359 NWRWVQZGGKSNJC-UHFFFAOYSA-N 433.445 4.207 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3Cl)no2)cc1 904570172 YCULJEXGUATJHI-QGZVFWFLSA-N 448.888 4.214 5 20 IIBD COc1cccc2cc(C(=O)OCC(=O)Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])oc12 915420468 HNQPKXDQWQYVGZ-UHFFFAOYSA-N 438.314 4.164 5 20 IIBD CN1CCCC[C@H]1CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 915671209 OAAIJUSGXKYJRV-INIZCTEOSA-N 437.949 4.318 5 20 IIBD CC1=C(C(=O)N(C)C)[C@H](c2ccc(C)c([N+](=O)[O-])c2)NC(=S)N1c1ccc(C)c(C)c1 916171564 ZHHFTPJGYPQOGW-NRFANRHFSA-N 438.553 4.318 5 20 IIBD Cc1c(COC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)cccc1[N+](=O)[O-] 917293695 WMEJGGZRSYSHGW-UHFFFAOYSA-N 425.462 4.234 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(Cl)c(Cl)c2)cc1Br 917843249 GSGVTWBTWMJQDZ-UHFFFAOYSA-N 427.059 4.432 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)c1cc(Cl)c(Cl)[nH]1)c1cccc([N+](=O)[O-])c1 918636619 YBALIGWNWVOHMQ-CYBMUJFWSA-N 440.283 4.472 5 20 IIBD O=C(CN1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 918741428 VZMXQXXLXCTOCQ-DTORHVGOSA-N 433.736 4.249 5 20 IIBD C[C@@H](OC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 919373195 RIXPJJJCCQAJEB-LLVKDONJSA-N 434.880 4.261 5 20 IIBD COC(=O)c1ccc([C@H](C)OC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)o1 920544268 LCFNNZAHGAHJPI-KBPBESRZSA-N 439.424 4.461 5 20 IIBD O=C(Oc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 921133469 IHPNZQKRCHBBHN-LBPRGKRZSA-N 442.777 4.221 5 20 IIBD COCCN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@H](C)c1cccc(C(F)(F)F)c1 921265935 BXSCHWNCNQDGOK-CYBMUJFWSA-N 444.381 4.368 5 20 IIBD O=[N+]([O-])c1ccccc1OCc1nnc(-c2ccc(-n3ccc(C(F)(F)F)n3)cc2)o1 1117214629 JRROBOVGFHPFPN-UHFFFAOYSA-N 431.330 4.428 5 20 IIBD C[C@H](OC1CCCCC1)C(=O)O[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 1321327904 AFTFRTNJVJHCNW-KGLIPLIRSA-N 447.513 4.326 5 20 IIBD O=C(CC1CCCC1)NC1CCC(c2nnc(COc3ccccc3[N+](=O)[O-])o2)CC1 1326138569 ZFHPYTQGSQNETE-UHFFFAOYSA-N 428.489 4.280 5 20 IIBD CC(=O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)CCC2)cc1 1786279518 OVDHORSUEYDHHX-UHFFFAOYSA-N 441.459 4.097 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccc([N+](=O)[O-])o4)CCC3)cc2)ccn1 1789749250 OEVJVWPEMIQTDZ-VQHVLOKHSA-N 446.463 4.352 5 20 IIBD Cc1ncoc1C(=O)NC1(c2ccc(NC(=O)c3cccc(F)c3[N+](=O)[O-])cc2)CCC1 1790698418 PMTCXBGUTVLXJD-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD Cc1c(F)cccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(F)ccc([N+](=O)[O-])c1C 1800697334 PEMLLQQCCJEFTK-MUJYYYPQSA-N 443.450 4.055 5 20 IIBD CCCCC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])c(OC)c1 1803823413 HAKCENADSOUQPF-KANFNMMFSA-N 431.533 4.072 5 20 IIBD Cc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1C 1804340390 GYTPSUSRMZABKL-LKZBZSNWSA-N 447.535 4.106 5 20 IIBD CC(C)=CCCC(=O)N1CCC2(CCCN(C(=O)Cc3cc([N+](=O)[O-])ccc3F)C2)CC1 1806656898 AKFHSEKRESGQFR-UHFFFAOYSA-N 445.535 4.254 5 20 IIBD O=C(c1cccc(F)c1[N+](=O)[O-])N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2C2CC2)CC1 1824072802 PWGPPSVCWZLMSV-SBHAEUEKSA-N 443.519 4.013 5 20 IIBD CC1(C)CCC(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)Cc2cc([N+](=O)[O-])ccc2F)CC1 1848056932 CRBQQWALZPBBQP-SFTDATJTSA-N 445.535 4.085 5 20 IIBD C[C@@H]1CCc2ccccc2N1C(=O)COC(=O)Cn1c2ccccc2c(=O)c2ccccc21 10723503 NAABRWLMDTWMAO-GOSISDBHSA-N 440.499 4.066 5 20 IIBD COc1ccc(-c2nc(COC(=O)c3ccc(OC)c([N+](=O)[O-])c3)cs2)cc1OC 11341793 NAWQALQUPXTVCK-UHFFFAOYSA-N 430.438 4.101 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCN(c2ccccn2)CC1 14063212 VGDRPNOZKZYILO-UHFFFAOYSA-N 438.871 4.398 5 20 IIBD CNc1ccc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1[N+](=O)[O-] 15474114 XLKHDIIFPAIPHL-UHFFFAOYSA-N 444.797 4.019 5 20 IIBD Cc1nc(-c2ccc(NC(=O)c3nn(-c4ccccc4[N+](=O)[O-])c(C)cc3=O)cc2)cs1 16506015 GSTQMZWTXRAABQ-UHFFFAOYSA-N 447.476 4.133 5 20 IIBD C[C@H](OC(=O)c1ccc(F)cc1Br)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 17836782 ADTCOXXCPUIWGU-QMMMGPOBSA-N 445.628 4.334 5 20 IIBD CCOc1cc(C(=O)O[C@H](C)C(=O)Nc2cccc3ccccc23)c([N+](=O)[O-])cc1OC 19473477 APLUMDCZVJGQPB-CQSZACIVSA-N 438.436 4.339 5 20 IIBD CCOc1cc2c(cc1OCC)CN(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)CC2 24113234 XIGNMNLFGASGBH-OAHLLOKOSA-N 430.526 4.458 5 20 IIBD COc1ccc([C@H]2CCCN2S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1OC 26232940 YHYKQAIPUUUFAM-MRXNPFEDSA-N 440.905 4.100 5 20 IIBD O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 29177047 NXDAGBJLALHOCH-UHFFFAOYSA-N 444.447 4.240 5 20 IIBD Cc1nc(-c2ccc([C@@H](C)NC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)cc2)cs1 30891368 POOWINMYZPAZOA-GFCCVEGCSA-N 425.466 4.289 5 20 IIBD CCN(Cc1cc(Br)ccc1F)Cc1cc([N+](=O)[O-])cc2c1OCOC2 63751832 BXDKXHYMGYFWRV-UHFFFAOYSA-N 425.254 4.385 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N(Cc1ccncc1)Cc1cccnc1 97024706 XIJIKLJOTFYRQT-UHFFFAOYSA-N 434.499 4.174 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCN(C3CCCC3)CC2)cc1 106131585 KFALCLNRNGSFEP-UHFFFAOYSA-N 425.485 4.096 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1[N+](=O)[O-])c1ccccn1 195602794 XKCNWEVYFUJGRO-OAHLLOKOSA-N 433.468 4.117 5 20 IIBD O=C(NC1CC1)c1ccc(NCc2ccc(N3CCc4ccccc4C3)nc2)c([N+](=O)[O-])c1 301123600 YPDHFOSWOLLLOC-UHFFFAOYSA-N 443.507 4.057 5 20 IIBD CN(c1ccc(Oc2ncc([N+](=O)[O-])cc2Cl)cc1)S(=O)(=O)c1cccs1 301299250 ZRWWEUCXUJWBGE-UHFFFAOYSA-N 425.875 4.322 5 20 IIBD O=[N+]([O-])c1cnc(N2CCO[C@H](c3ccccc3Br)C2)c(Br)c1 301518167 FZZMMFJSQZEGOD-AWEZNQCLSA-N 443.095 4.093 5 20 IIBD O=C(c1cccs1)C1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC1 301556058 SHOOLMIFOZAWMU-UHFFFAOYSA-N 448.444 4.049 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 410170817 NOPWPVIXSHQYSI-UHFFFAOYSA-N 442.365 4.360 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 426184821 AKEYSTDCVHYJDE-SJORKVTESA-N 445.344 4.221 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1Cc2ccccc2OC(C)(C)C1 426473511 RGKKCIKDCTYGIQ-UHFFFAOYSA-N 444.509 4.063 5 20 IIBD CN(C(=O)CCOc1ccccc1[N+](=O)[O-])[C@H](c1ccc(Cl)cc1)c1cnccn1 427444207 ZCYDRVHAPJWZIY-OAQYLSRUSA-N 426.860 4.055 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 430395101 DUUMHQVMARIGNY-HNNXBMFYSA-N 425.485 4.101 5 20 IIBD Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 434139865 AQQYBLBBNYFCBG-ZDUSSCGKSA-N 431.399 4.954 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])c(C2CC2)n1)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1 436211839 SHXGIPHRRZNWEH-KRWDZBQOSA-N 445.435 4.386 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1 437689403 AVVDRDRLIXXPGU-QFIPXVFZSA-N 432.480 4.299 5 20 IIBD COc1cc(C(=O)N2CCCC3(CCCC3)C2)c([N+](=O)[O-])cc1OCc1cscn1 438692339 LAHAVPCXZNVKGM-UHFFFAOYSA-N 431.514 4.435 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC(c2ccccc2Br)CC1 439279103 VGIYCEDQUZHGGL-UHFFFAOYSA-N 432.318 4.484 5 20 IIBD CC[C@H](C)[C@@](C)(O)CNC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 439500018 AOEVFJVZCHLVRW-FPTDNZKUSA-N 430.526 4.075 5 20 IIBD CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1 444236532 KPWKWRWWEFQVNV-OAHLLOKOSA-N 449.532 4.010 5 20 IIBD CCc1[nH]nc(C(=O)N(Cc2ccc(OC)c(OC)c2)[C@@H]2CCCC[C@@H]2C)c1[N+](=O)[O-] 444341863 LSSIIHUOBBSLQX-WMLDXEAASA-N 430.505 4.119 5 20 IIBD Cc1ccc(NC(=O)Cc2noc(-c3ccc([N+](=O)[O-])cc3Br)n2)c(C)c1 445360956 KQEWBANXMZYBTF-UHFFFAOYSA-N 431.246 4.205 5 20 IIBD CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 446546599 JQZDMEXDUHWQCY-NUJGCVRESA-N 440.548 4.057 5 20 IIBD CC(C)n1ncc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)cc21 447007211 OXFYLMGXIHKTAT-UHFFFAOYSA-N 428.392 4.345 5 20 IIBD CCOC(=O)[C@@H]1CN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])Cc2ccccc21 447673510 YHYVDSSZTOZMMR-CYBMUJFWSA-N 445.344 4.311 5 20 IIBD CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2I)c2ccccc2O1 460622991 UTHVYGPPWILRTL-GFCCVEGCSA-N 438.221 4.017 5 20 IIBD COc1cccc([C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2Cl)c1 462312991 HSHRPFHLQXCVDK-FQEVSTJZSA-N 432.885 4.325 5 20 IIBD COc1cc(C)c(Br)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])c(C)cc1C 463429275 IFXVYBHRUQHYSR-UHFFFAOYSA-N 429.292 4.092 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCN(C)c3ccc(F)cc32)cc1[N+](=O)[O-])c1ccccn1 464296791 OMXRMBMWUNQYNH-OAHLLOKOSA-N 435.459 4.399 5 20 IIBD Cc1cc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c2cccnc2c1C 464451498 AEAFURPQZADBMY-UHFFFAOYSA-N 434.481 4.292 5 20 IIBD CC(C)n1ncc2c(C(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)cc(C3CC3)nc21 464640273 YQRKZVSTHHDSOK-UHFFFAOYSA-N 449.511 4.481 5 20 IIBD CC(C)COc1cccc(CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 465760601 VCLYHBLEMZVAJK-UHFFFAOYSA-N 427.501 4.383 5 20 IIBD CCc1cc(=N[C@H](C)c2ccc3c(c2)O[C@H](CC)C(=O)N3)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 467012211 BZXBUVLATCBNKR-JLTOFOAXSA-N 447.495 4.319 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC(c2c(C)[nH]c3ccccc23)CC1 468100802 CSCACQOAPUPOPQ-SFHVURJKSA-N 438.532 4.023 5 20 IIBD CC[C@@H](C)Sc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)OC)c(C)c1 468353125 PDSRCLAPFZKFOU-CYBMUJFWSA-N 438.527 4.381 5 20 IIBD CCS(=O)(=O)c1ccc(N2CCC(NC/C(C)=C/c3cccc([N+](=O)[O-])c3)CC2)cc1 468645111 KIUZLKQKWQLACZ-OBGWFSINSA-N 443.569 4.050 5 20 IIBD COc1cc(S(=O)(=O)Nc2ccccc2COCc2ccccc2)ccc1[N+](=O)[O-] 468786116 BTGBHXXFYNWUKF-UHFFFAOYSA-N 428.466 4.121 5 20 IIBD Cn1c([C@H]2CCCN2C(=O)c2ccc(Br)cc2[N+](=O)[O-])nc2ccccc21 468913298 JBAZCCJLNXGHNW-MRXNPFEDSA-N 429.274 4.221 5 20 IIBD C[C@H](CC[S@](C)=O)NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 469330765 JXPLAPLYLLFKRX-MUDIAHQHSA-N 426.947 4.286 5 20 IIBD CCS(=O)(=O)c1ccc(CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)s1 471285045 CNFLILIDPRSJPG-UHFFFAOYSA-N 445.522 4.124 5 20 IIBD O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCCc2cc(-c3ccccc3)ccc21 472559965 HYRKBDLTMROMJP-UHFFFAOYSA-N 425.448 4.436 5 20 IIBD Cc1cc(NC(=O)NC2CCN(Cc3coc(-c4ccccc4)n3)CC2)ccc1[N+](=O)[O-] 473782181 GUWGXZXIUVHMRQ-UHFFFAOYSA-N 435.484 4.344 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 474554226 FJIHBMWUGLMVLK-UHFFFAOYSA-N 432.318 4.060 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 475550534 OEOUCAATDSNBLE-KRWDZBQOSA-N 436.468 4.384 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(-c2cncnc2)cc1F 478058377 DHMMTMYFKSUMKR-UHFFFAOYSA-N 449.364 4.052 5 20 IIBD C[C@@H](Cc1cccc(Cl)c1)C(=O)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 478076671 BTUQUJRPKVZXKB-HNNXBMFYSA-N 441.919 4.042 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cnn(-c3cccc(Cl)c3)c2CC)cc([N+](=O)[O-])c1 482734270 NMJKXJGAGHGAIC-UHFFFAOYSA-N 442.859 4.425 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Nc2ccc(F)cc2)CC1 483974765 MLLYEQJMUMJTBP-UHFFFAOYSA-N 433.505 4.189 5 20 IIBD Cc1nc2cc(Cl)c(NC(=O)C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)cc2s1 484028266 WQRAPOUYTYTQHG-JTQLQIEISA-N 432.889 4.291 5 20 IIBD CSc1cccc(C(=O)NCc2ccc(N3CCc4ccccc4C3)nc2)c1[N+](=O)[O-] 485737576 XGZXNCWYFHNIJN-UHFFFAOYSA-N 434.521 4.204 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 486839932 BMSPTCLTPMGNEP-NTKDMRAZSA-N 449.511 4.381 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)c2nccnc2C(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] 488056505 KPZYFGHGLUFFJO-CYBMUJFWSA-N 439.859 4.090 5 20 IIBD Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)c1 488129928 ZXCZILNVZGTXRK-KRWDZBQOSA-N 425.466 4.112 5 20 IIBD O=C(Nc1ccc(Oc2cccc(F)c2F)nc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 488210700 NMZVQANGSPCMKR-UHFFFAOYSA-N 437.362 4.498 5 20 IIBD CN(C(=O)c1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1)C1CCOCC1 488444267 WTTBMLRKBILLPJ-UHFFFAOYSA-N 439.493 4.313 5 20 IIBD O=C(CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1)Nc1ccc(Oc2ccccc2)cc1 488726929 DGELSOYWKONGOZ-UHFFFAOYSA-N 435.484 4.249 5 20 IIBD COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C 489050622 XHOAJJZLXUUZEM-GOSISDBHSA-N 435.864 4.195 5 20 IIBD Cc1cc(OCC(=O)Nc2cccc(S(=O)(=O)C3CCCCC3)c2)ccc1[N+](=O)[O-] 491443179 HAVRDRFSZQLKGN-UHFFFAOYSA-N 432.498 4.027 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc3oc(CC(C)(C)C)nc3c2)cc1[N+](=O)[O-] 493896205 DTUFIFOYHFKQEC-AWEZNQCLSA-N 438.484 4.449 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@H](C)c2ccccc2OCc2ccccc2)cccc1[N+](=O)[O-] 502705307 LBGUJFDIGYTLHL-QGZVFWFLSA-N 433.464 4.298 5 20 IIBD COc1ccccc1SC[C@@H](C)CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 505076676 URTRTXQIOBLWKK-HNNXBMFYSA-N 440.525 4.162 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 506197810 AZWNMGZGGMIXNP-IRXDYDNUSA-N 435.590 4.058 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@H](OCC1CC1)c1ccc(Cl)cc1 506287400 XASPRYSFSKHPBT-IBGZPJMESA-N 445.903 4.088 5 20 IIBD O=C(NC1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1)C1CC1 506676945 RVVFECKILTXIDO-UHFFFAOYSA-N 448.317 4.108 5 20 IIBD O=[N+]([O-])c1ccc(-n2cc(-c3nc(Cc4cc(F)cc(Br)c4)no3)cn2)cc1 508686608 OCGQBSXTXPYXKN-UHFFFAOYSA-N 444.220 4.323 5 20 IIBD O=C(CCc1nnc(-c2cc(F)ccc2Br)o1)Nc1ccc([N+](=O)[O-])cc1 508781689 ZVNCILWCBMJBKP-UHFFFAOYSA-N 435.209 4.118 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccc(OC(F)F)cc1F 509389879 GJHYKRDCGQRCJU-UHFFFAOYSA-N 431.175 4.443 5 20 IIBD CCCN1CCC(N(C)Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)CC1 510449816 OOXAAIZAQVIUKD-UHFFFAOYSA-N 427.545 4.489 5 20 IIBD O=C(NCCc1cccs1)C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 512350135 HXQAZHHQQYRKJA-UHFFFAOYSA-N 439.537 4.487 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCN(Cc4cccs4)CC3)cc2[N+](=O)[O-])C1 512640148 POLWKBHEDHGNKQ-ROUUACIJSA-N 442.585 4.097 5 20 IIBD Cn1ccnc1[C@@H](NCc1ccc(NC(=O)c2ccco2)cc1)c1cccc([N+](=O)[O-])c1 513708805 XSVXTHWYGALJAT-NRFANRHFSA-N 431.452 4.053 5 20 IIBD O=C(Nc1cc(Cl)ccc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccco1 516135097 WKEMOGZPUHTONB-UHFFFAOYSA-N 429.772 4.075 5 20 IIBD O=[N+]([O-])c1ccc(-n2ccc(-c3nc(-c4cccc(OCc5cccnc5)c4)no3)n2)cc1 517625467 SUGUWZZFRVVGKY-UHFFFAOYSA-N 440.419 4.472 5 20 IIBD COCCc1noc(-c2cc(Cl)ccc2NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)n1 518008164 SQRIJIXQMFFOQB-LLVKDONJSA-N 448.838 4.368 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)cn2)cc1C 518791935 LPLKFFQLWXJLIY-UHFFFAOYSA-N 430.424 4.232 5 20 IIBD CCC1CCN(C(=O)c2ccccc2NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)CC1 518939111 BXEYNUZTWGNQJS-UHFFFAOYSA-N 445.541 4.275 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(C(=O)N(C)C)c(Cl)c1 520409891 AYJKFLXLQQQNDP-SNVBAGLBSA-N 426.256 4.009 5 20 IIBD CCCO[C@H]1CCCN(C(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])CC1 521725979 HTJVEEUYALRBNH-INIZCTEOSA-N 449.529 4.060 5 20 IIBD O=C(Nc1ccc(Cl)cn1)c1cccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)c1 521857463 KXTGKJHDECMIAC-UHFFFAOYSA-N 436.815 4.024 5 20 IIBD CN1CCN(c2ccc(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)c(C(F)(F)F)c2)CC1 521881862 AKKKEEHHDVVCIP-UHFFFAOYSA-N 447.417 4.099 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2ccccc2CN(C)C)cc1 524187098 WVENWHOLTQINQN-UHFFFAOYSA-N 435.480 4.387 5 20 IIBD CC[C@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1I)c1nc(C)cs1 525067961 UFSFVTVHXRUHOT-HNNXBMFYSA-N 445.282 4.020 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)S(=O)(=O)c1ccccc1C(F)(F)F 530323605 IIXRODSPVQALBR-SNVBAGLBSA-N 427.360 4.199 5 20 IIBD CN(C)[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(Cl)cc1 530949474 MBTUHVSJMLRRKL-INIZCTEOSA-N 426.698 4.043 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](c2nc3ccccc3s2)C1 533012463 UQFDEQYJXJXVPH-HNNXBMFYSA-N 440.525 4.421 5 20 IIBD CC[C@@H](C)N(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1nc(O)c2ccccc2n1 533061278 KKUGEVSCPBULAQ-CYBMUJFWSA-N 443.891 4.136 5 20 IIBD CN(Cc1csc2ccccc12)C(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 537213107 PXWSGFUTMURAGL-UHFFFAOYSA-N 425.495 4.351 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnn(S(=O)(=O)c3ccc(OCc4ccccc4)cc3)c2)c1 537567426 QADFVUOBXWRFRB-UHFFFAOYSA-N 435.461 4.274 5 20 IIBD COc1cc(N2CCOC(C)(C)C2)ccc1NCc1cc([N+](=O)[O-])ccc1OC(F)F 537723538 NRLSNMFGTVCWCC-UHFFFAOYSA-N 437.443 4.432 5 20 IIBD CN([C@H](c1ccncc1)c1ccc(Cl)cc1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 541867132 UQJLXBKTCYYUHW-NRFANRHFSA-N 445.928 4.237 5 20 IIBD CC[C@H](C)n1c(SC[C@@H](O)COc2ccccc2[N+](=O)[O-])nnc1-c1ccccc1 543120070 HWKYMWAGZKOHKB-RDJZCZTQSA-N 428.514 4.356 5 20 IIBD CCCn1c(SC[C@@H](O)COc2ccccc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 543120458 LZRCPJFWGBCPQG-INIZCTEOSA-N 448.932 4.449 5 20 IIBD Cc1c([N+](=O)[O-])cnc(NCc2ccc(C(=O)N3CCCCC3)cc2)c1Br 543435858 FIXPSEGZPLUFRO-UHFFFAOYSA-N 433.306 4.299 5 20 IIBD COc1c(-c2noc(CCOc3ccc(Cl)cc3[N+](=O)[O-])n2)cnc2ccccc12 547136859 VSCMWXVXGSTLEY-UHFFFAOYSA-N 426.816 4.477 5 20 IIBD CC(C)[C@@H](c1ccccc1)N(C)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 551495354 KEKJBJYWPGPKOG-KRWDZBQOSA-N 434.290 4.152 5 20 IIBD O=c1c(Cl)c(NCc2c(F)cccc2N2CCCC2)cnn1-c1ccc([N+](=O)[O-])cc1 553578142 QXXDWGAAZOWNFX-UHFFFAOYSA-N 443.866 4.146 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 554986749 DYPKFWFFSQLERD-HXUWFJFHSA-N 436.386 4.195 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cc(-c4nc[nH]n4)ccc3F)cc2[N+](=O)[O-])C1 564275467 QEDMLOXYVMWNER-ZIAGYGMSSA-N 438.463 4.254 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)c1 566608150 ANQZHCYQMYEIHA-UHFFFAOYSA-N 449.394 4.186 5 20 IIBD Cn1cc(CN2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 568696830 YCGBPOZFXNVNCA-HNNXBMFYSA-N 448.449 4.127 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C 570110067 RLKVBKUNLSZOPF-IBGZPJMESA-N 438.450 4.100 5 20 IIBD C[C@H](NC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc(OCc2cccnc2)cc1 581982509 RCAKIWPCXQBVHM-HNNXBMFYSA-N 446.467 4.006 5 20 IIBD CN(C(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)c1ccc([N+](=O)[O-])nc1 583107976 ONSAZOLOMUFAOF-UHFFFAOYSA-N 442.501 4.102 5 20 IIBD O=C(c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2)N1CCOCC1 590780906 IXRCORPGYGZPHQ-SDXDJHTJSA-N 429.476 4.492 5 20 IIBD COc1ccc(CSCC(=O)N2CCC(OCc3ccccc3)CC2)cc1[N+](=O)[O-] 603566335 SHFPEBUIKQBLCQ-UHFFFAOYSA-N 430.526 4.044 5 20 IIBD Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)cc12 603763585 QZBJDEGZYUJKHZ-UHFFFAOYSA-N 447.520 4.266 5 20 IIBD Cc1cc(N2CCN(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)ccc1[N+](=O)[O-] 603845065 BNKAVBVXRWZHQQ-UHFFFAOYSA-N 447.417 4.294 5 20 IIBD Cc1cc(CN(C)S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc(C)c1OCC(F)(F)F 604043187 YYDZCRYLKNVDLI-UHFFFAOYSA-N 446.447 4.282 5 20 IIBD CNc1ccc(C(=O)N(C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)cc1[N+](=O)[O-] 604193009 MMYMYGHBJPRONA-UHFFFAOYSA-N 425.407 4.467 5 20 IIBD Cc1cc(C)n(-c2ccc(CCNC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1 604442584 KWYNUPROOKPQFK-MRXNPFEDSA-N 442.903 4.177 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 604447150 PZMWPYRNHKQHCE-FKIZINRSSA-N 432.860 4.054 5 20 IIBD C[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(OCC(F)(F)F)cc1 604470228 WMTPBXTXMWSOMK-ZDUSSCGKSA-N 434.374 4.213 5 20 IIBD COc1ccc(-c2nc(NC(=O)c3cc4ccccc4c4cccnc34)n[nH]2)cc1OC 605522460 VTECXUQTJGRDSR-UHFFFAOYSA-N 425.448 4.443 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(CN(C)Cc2ccccc2)CC1 608964542 RYDILVOVHFEHCX-KRWDZBQOSA-N 445.947 4.386 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)Nc2cccc(Sc3ccccc3)c2)cc1[N+](=O)[O-] 609375219 NLQKMCSPDDWADW-UHFFFAOYSA-N 428.491 4.402 5 20 IIBD COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1NC(=O)C1CCCCC1 609697551 HKEHSGWGLXHHNL-UHFFFAOYSA-N 427.457 4.383 5 20 IIBD Cc1ccc(CNC(=O)NCC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 609762586 IYXOLNZPHFCRMU-UHFFFAOYSA-N 434.452 4.133 5 20 IIBD CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl 609792767 ADWHMZYVJQCRFC-UHFFFAOYSA-N 426.904 4.282 5 20 IIBD CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(F)cc1F 609977122 JGHHMZSHOXNKNQ-ICSRJNTNSA-N 431.439 4.054 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@H](N3CCCC3)CC2)cc1 609977839 WJPJBGOOXUAWGZ-SFHVURJKSA-N 439.512 4.486 5 20 IIBD Cc1nn(CCC(=O)NCC2(c3ccc(Br)cc3)CCCC2)c(C)c1[N+](=O)[O-] 609980475 QIALNSHQRFMREO-UHFFFAOYSA-N 449.349 4.189 5 20 IIBD CCOc1cc(NC(=O)N[C@H](Cn2cccn2)c2ccccc2)c([N+](=O)[O-])cc1OCC 610163293 RFQWREGNHVOFMB-GOSISDBHSA-N 439.472 4.152 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC[C@@H]1c1ccccc1Br 610679538 AZTROIBNKZGVNH-CQSZACIVSA-N 429.267 4.022 5 20 IIBD CO[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccccc1Cl 610789596 BETIWGLLGVOZNE-MRXNPFEDSA-N 427.682 4.057 5 20 IIBD CCOC(=O)CC[C@H]1CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 611047777 GNCNPAUUMJJPHO-LJQANCHMSA-N 439.512 4.402 5 20 IIBD CC(C)C(=O)NC[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 611202766 MPNATAJIHNPYRH-MRXNPFEDSA-N 433.574 4.254 5 20 IIBD CC(=O)NCCc1noc(-c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)n1 612953614 YVALIYGGRVXAQC-UHFFFAOYSA-N 441.494 4.084 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCOC[C@@H]1c1c(C)nn(-c2ccccc2)c1C 615038853 BJEXRYCFTWOZOV-OAQYLSRUSA-N 435.484 4.311 5 20 IIBD CC(C)(C)OC(=O)c1ccccc1C1CCN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1 615296570 WUKTTYYMYPHDBA-UHFFFAOYSA-N 426.469 4.276 5 20 IIBD CS(=O)(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)s1 615889504 OHBUGOVUIGCITL-UHFFFAOYSA-N 440.568 4.025 5 20 IIBD CCOC(=O)CC[C@@H]1CCCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 618854775 AAZRHQDOTUREOM-SFHVURJKSA-N 440.496 4.369 5 20 IIBD C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 727202423 JZIYMICWLMPQSY-LLVKDONJSA-N 437.330 4.174 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1 727217386 CKCCSCPPZOKILO-LLVKDONJSA-N 427.240 4.159 5 20 IIBD CCNC(=O)c1ccc(Cl)cc1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 735000278 HJVHJLCNBKJGQH-UHFFFAOYSA-N 426.256 4.059 5 20 IIBD CO[C@H](c1ccc(Cl)cc1)[C@H](C)Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] 736298699 JJHSTLFHRWJPFU-QFYYESIMSA-N 434.848 4.433 5 20 IIBD CC(C)(C)c1noc(CCCC(=O)OCc2ccc([N+](=O)[O-])cc2Br)n1 739580188 SWFDWAZCXFYKSL-UHFFFAOYSA-N 426.267 4.104 5 20 IIBD C[C@H](OC(=O)[C@@H]1CCCCN1Cc1ccccc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 745105600 VRRMRQNHHVFXDF-JXFKEZNVSA-N 436.468 4.304 5 20 IIBD C[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])c2ccccc2N1C(=O)c1ccccc1[N+](=O)[O-] 746438515 FBADDTZIPMVVGB-HNNXBMFYSA-N 446.419 4.199 5 20 IIBD Cc1c(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748621307 QDIYQYPZSZRLNA-RYUDHWBXSA-N 446.435 4.125 5 20 IIBD Cc1cc(NC(=O)CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1Br 748989351 JGUJAZLZNUETNH-UHFFFAOYSA-N 441.669 4.079 5 20 IIBD C[C@H](OC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](C)c1nc2ccccc2s1 749215808 ABZWMQHGQTUSOH-RYUDHWBXSA-N 445.522 4.131 5 20 IIBD Cc1ccc(C(=O)N2CCSCC2)cc1OC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 749539683 VVBCGFWLPVMGBI-OAHLLOKOSA-N 446.550 4.178 5 20 IIBD C[C@H](Oc1ccccc1Cl)C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 750660744 BVTMHRLOGAPCOG-NSHDSACASA-N 439.693 4.363 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CCC[C@H](OCC(F)(F)F)C1 750841370 CLTZYNPTIZSPLM-VIFPVBQESA-N 445.619 4.194 5 20 IIBD CC(C)c1nc(C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)nn1-c1ccccc1Cl 751655809 HPRDTFCCJWCVAU-UHFFFAOYSA-N 441.831 4.451 5 20 IIBD Cc1c(Cl)cccc1NC(=O)COC(=O)c1cc([N+](=O)[O-])c(Br)cc1F 751690701 DCADGKPMHOWHFL-UHFFFAOYSA-N 445.628 4.254 5 20 IIBD COc1c([N+](=O)[O-])cc(NC[C@H]2CCCO[C@H]2C(C)C)c([N+](=O)[O-])c1Br 751967858 IHOWUWXQCZQWGB-BMIGLBTASA-N 432.271 4.137 5 20 IIBD CC[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@H](O)c1c(F)cccc1F 752615336 JILWMKLWOMGBNG-UGSOOPFHSA-N 430.860 4.247 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2cccn(Cc3ccccc3)c2=O)CC1 755650351 XOHGTSBFTHHHOY-UHFFFAOYSA-N 446.507 4.293 5 20 IIBD C[C@@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1nnc(-c2cccs2)o1 756524175 BOQNJGZRIHYYJZ-SECBINFHSA-N 438.259 4.316 5 20 IIBD Cn1ccc([C@@H](NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c2ccc(Cl)cc2)n1 762488743 YGKHEFWUMZJOEZ-KRWDZBQOSA-N 449.692 4.264 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 765522507 PLVDVDIUNKCORS-HIFRSBDPSA-N 440.412 4.426 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(F)c(N3CCCCC3)c(F)c2)c2ncccc12 766501583 LECWUWRNIPUBLY-UHFFFAOYSA-N 448.451 4.212 5 20 IIBD O=C(OCc1ccccc1)N1CCC(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 768943939 HBKOIWBTGOXEOK-UHFFFAOYSA-N 437.496 4.135 5 20 IIBD Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2ccc(Br)c([N+](=O)[O-])c2)o1 768984507 YDYHSRNBOLBIMY-SFHVURJKSA-N 429.274 4.348 5 20 IIBD COc1cccc(C(=O)O[C@H](C)C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1[N+](=O)[O-] 769601572 SNFFKWMNZUYGLJ-CYBMUJFWSA-N 428.441 4.016 5 20 IIBD O=C(c1cc(N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)ccc1[N+](=O)[O-])N1CCCC1 772905856 KPFGHGCDQRRZGR-AVRDEDQJSA-N 427.476 4.062 5 20 IIBD C[C@@H](OC(=O)c1ccc(-c2csc(N)n2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 775884532 LQQKPTYWZGYLFA-SNVBAGLBSA-N 446.872 4.138 5 20 IIBD O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 777878032 BKVYUYLEWMHENG-UHFFFAOYSA-N 445.344 4.181 5 20 IIBD C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)OCc1ccc([N+](=O)[O-])cc1Cl 778335146 UEPLTKFYCMQRRG-VIFPVBQESA-N 431.659 4.417 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 778813629 IXNZCEREKKAMDF-GFCCVEGCSA-N 443.309 4.097 5 20 IIBD CC(C)N(CCCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)OC(C)(C)C 780597455 BXQRAWZADGKERN-UHFFFAOYSA-N 437.540 4.447 5 20 IIBD CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781639473 VCTZCCCYIQTASV-LJQANCHMSA-N 433.436 4.185 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])Oc1ccc(S(=O)(=O)c2ccccc2)cc1 783912725 YVCYXWNFWKSYQC-UHFFFAOYSA-N 429.475 4.125 5 20 IIBD O=C(OCc1ccc(OCc2cccnc2)cc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 785676404 SVEHVUHCJCZPNW-UHFFFAOYSA-N 430.420 4.112 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)CSCC(F)(F)F)c2ccccc2)c([N+](=O)[O-])c1 786466635 TWJXSAMZVBZLRE-QGZVFWFLSA-N 442.415 4.422 5 20 IIBD Cc1nc2ccc(Cl)cn2c1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 786646265 LKROXWDGICTVLM-UHFFFAOYSA-N 428.754 4.398 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)OCC(=O)c1ccc(Cl)cc1Cl 786784038 ZWSDUBNTOJLSRH-UHFFFAOYSA-N 435.219 4.255 5 20 IIBD O=C(O[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1)c1ccc(OC2CCOCC2)cc1 787033302 SSHHJOOCQFNAKR-HXUWFJFHSA-N 444.459 4.118 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(I)c1)N1CC[C@@H](c2ccccc2)C1 787809877 SISBBOMZMXQNAF-CYBMUJFWSA-N 437.237 4.221 5 20 IIBD O=C(Cc1csc(-c2ccoc2)n1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791172367 NVPMNYKWLCABNO-UHFFFAOYSA-N 448.298 4.201 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)O[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F 795710465 GRSWRWVTRPPDSX-NSHDSACASA-N 426.347 4.196 5 20 IIBD CCCc1[nH]nc(C(=O)OCc2csc(N(C(C)=O)c3ccc(C)cc3)n2)c1[N+](=O)[O-] 796262310 YZIBQDCQSCMQNJ-UHFFFAOYSA-N 443.485 4.077 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCC1(Sc2ccccc2)CCCC1 800605658 RTLYYMGBFFNGGO-UHFFFAOYSA-N 431.489 4.202 5 20 IIBD O=C(Nc1ccc(F)cc1OC1CCOCC1)c1cc([N+](=O)[O-])ccc1Br 808898755 IMPWMCUBFOCDNA-UHFFFAOYSA-N 439.237 4.307 5 20 IIBD C[C@@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(S[C@H]2CCCCNC2=O)cc1 809049590 YQPUUMMLVKXEPF-QRWLVFNGSA-N 428.510 4.203 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)c(Cl)cc1Cl 809827885 CXIYMXKUNRIPLQ-BLLLJJGKSA-N 445.324 4.348 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](C2CCN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])CC2)C1 814129817 JRKGXTPVSDCNEV-SFHVURJKSA-N 445.560 4.368 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccc3c(c2)OCCN3C)cc1[N+](=O)[O-])c1ccccn1 816503967 TVOJUJRIPZWIAX-HNNXBMFYSA-N 433.468 4.244 5 20 IIBD CC(C)[C@H](OC(=O)CCNc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc2ncccc12 878493756 ALYCVAPNTSAUPW-QFIPXVFZSA-N 436.468 4.152 5 20 IIBD O=C(OCc1noc(-c2ccc(Cl)cc2)n1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 914617286 QTLDCKTZSZTRMA-UHFFFAOYSA-N 442.859 4.258 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(-n3nc(C)cc3C)cc2)cc1[N+](=O)[O-] 914755850 LFBHHPDRJHQCLW-UHFFFAOYSA-N 426.498 4.278 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 915250371 RUDVHMSMBVNNIU-IYBDPMFKSA-N 442.468 4.057 5 20 IIBD CC(=O)NCc1ccc(-c2csc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)n2)s1 915827858 JHAMWKYKJWSVPB-UHFFFAOYSA-N 442.478 4.414 5 20 IIBD CCOc1ccc(C(=O)O[C@@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)cc1[N+](=O)[O-] 916655834 MDWMLJYDTYRHDY-INIZCTEOSA-N 440.452 4.481 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cccc(Cl)c2Cl)cc1Br 917845417 VKXZKWPYGKPTIN-UHFFFAOYSA-N 427.059 4.432 5 20 IIBD O=C(Nc1ccc(Cl)cc1)c1ccccc1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 918398532 WXYBKQITLWAQSM-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 1261246718 YGLQUZQKXXRBLM-SEJPIABJSA-N 432.524 4.321 5 20 IIBD COc1ccc2[nH]c(C)c(C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c2c1 1319450839 YNDWLRYRMCEROL-LLVKDONJSA-N 431.832 4.231 5 20 IIBD Cc1ccc(N2CCC(C(=O)OCc3ccc([N+](=O)[O-])cc3Br)CC2)nc1 1320492126 PHVJTGWMPJCAGW-UHFFFAOYSA-N 434.290 4.021 5 20 IIBD O=[N+]([O-])c1ccc(/C=C\c2nnc(CN3CCN(Cc4ccc(Cl)cc4)CC3)o2)cc1 1322638150 NARZXPDIVWPEKA-YHYXMXQVSA-N 439.903 4.119 5 20 IIBD Nc1c(C(=O)Nc2nc(-c3ccc(O)cc3)cs2)cc(Br)cc1[N+](=O)[O-] 1322745417 OWAZCHIIRKZKHZ-UHFFFAOYSA-N 435.259 4.021 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(NCc2ccc(-n3cnc4ccccc43)nc2)cc1Cl 1333419765 BPLPOSILQVRIKB-UHFFFAOYSA-N 437.843 4.381 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 1340750725 LYRSAPXLTWJXTR-UHFFFAOYSA-N 444.245 4.234 5 20 IIBD Cc1ccc(NC(=O)N(C)C)c(C(=O)OCc2ccc([N+](=O)[O-])cc2Br)c1 1342877493 SZKFPMKLVBVFJD-UHFFFAOYSA-N 436.262 4.116 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cc([N+](=O)[O-])c(O)cc4C)cc3)CCC2)c[nH]1 1790805858 NDYWMQJVRLJXJE-UHFFFAOYSA-N 448.479 4.307 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC3(F)F)CCC2)cc1 1790809604 VCNVHGLVAIUXIE-MRXNPFEDSA-N 445.422 4.012 5 20 IIBD CC(=O)C[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)CCC2)cc1 1791540810 LGWFXGQFBZLPAU-AWEZNQCLSA-N 441.459 4.097 5 20 IIBD Cc1cc(C)c(C(=O)Nc2ccc(C3(NC(=O)c4n[nH]cc4[N+](=O)[O-])CCC3)cc2)c(C)c1 1792096623 HXQNKZUKVMTQRW-UHFFFAOYSA-N 447.495 4.305 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C12CCC(CC1)CC2 1803245959 JOAKQFMJBWAKNU-QQHNYFIASA-N 443.519 4.265 5 20 IIBD C[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1)c1cccs1 1829835980 ODZXYEGJTGIAHF-MAUKXSAKSA-N 444.557 4.021 5 20 IIBD COc1ccc(Nc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)s2)cc1 10786310 SKIRDPNSHPFMBL-UHFFFAOYSA-N 431.499 4.238 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1sc2cc(F)ccc2c1Cl 11444035 HXDVASMTFORONN-UHFFFAOYSA-N 438.820 4.406 5 20 IIBD O=C1/C(=C/C=C/c2ccccc2[N+](=O)[O-])NC(=S)N1c1ccc(OC(F)(F)F)cc1 15259855 YTUQNQPJGNUHOD-VLVOFSMPSA-N 435.383 4.312 5 20 IIBD COc1cc(CCN[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)c([N+](=O)[O-])cc1OC 15507621 DNRDSYJJJBGTPH-XMMPIXPASA-N 449.507 4.433 5 20 IIBD Cc1ccc(NC(=O)c2ccc(OS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)c(F)c1 15568168 FBXFRNBLTJMBIO-UHFFFAOYSA-N 444.440 4.371 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 15655146 YYESQIBZRRJAGW-UHFFFAOYSA-N 445.504 4.394 5 20 IIBD Cc1c(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(Cl)cc3)n2C)cccc1[N+](=O)[O-] 21760684 XBFBUXOMLNRVRB-GFCCVEGCSA-N 431.905 4.471 5 20 IIBD CN(C)c1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)c2c[nH]c3ccccc23)cc1 22144167 CBGIRIKAZMJGKB-HXUWFJFHSA-N 431.496 4.043 5 20 IIBD COc1ccc(Cl)cc1CC(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 24220319 NFXJAVJRPCTTOY-SNVBAGLBSA-N 427.240 4.023 5 20 IIBD CCOC(=O)c1cnn(-c2cccc(NC(=O)c3ccccc3[N+](=O)[O-])c2)c1C(F)(F)F 27359521 NLELBLOUHFCRQA-UHFFFAOYSA-N 448.357 4.228 5 20 IIBD C[C@@H](OC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C(=O)NCc1ccccc1 28699437 JPTOHPXENBZLMR-QGZVFWFLSA-N 433.464 4.069 5 20 IIBD CCn1c(SCc2nc3ccccc3c(=O)n2C)nc2cc3ccccc3cc2c1=O 31747272 VMUMUKVERCCHCN-UHFFFAOYSA-N 428.517 4.109 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cccc(OCc2cn3ccccc3n2)c1 78449856 MEIDWYQTTWGHMQ-UHFFFAOYSA-N 431.452 4.262 5 20 IIBD O=C(Nc1ccccc1OC[C@@H]1CCCCO1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 108917666 IGUFBVWVMORIPF-IBGZPJMESA-N 439.512 4.398 5 20 IIBD C[C@H](CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)CN1CCCCC1 109116843 JGOBPMKNMFVZSG-QZTJIDSGSA-N 425.533 4.015 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1c(Cl)ccc(F)c1Cl 195588871 QYHGLGHMNRNPPV-ZJUUUORDSA-N 428.247 4.036 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Br)sc1Br 227266061 DUUQWDNBEFSXJJ-UHFFFAOYSA-N 436.081 4.442 5 20 IIBD C[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)Sc1ccc(Br)cc1 303407904 QLCQXTKXDULDRN-LBPRGKRZSA-N 425.304 4.033 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(Br)cc1Br 318249951 IGFLRHBBTPCKDH-UHFFFAOYSA-N 428.080 4.392 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(c2cc(Cl)ccc2OC)CCOCC1 410237733 WVNMCYGNXQCLFS-UHFFFAOYSA-N 449.891 4.135 5 20 IIBD O=C1CCCC[C@@H]1[C@@H]1CCCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br 426892855 BMHCDJFJEQRJMN-AEFFLSMTSA-N 437.334 4.430 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(C)nn1-c1cccc(Br)c1 427277920 UMIRVEAQTQAVHG-UHFFFAOYSA-N 431.246 4.112 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCc1ccnc(Oc2ccccc2F)c1 428047685 JVSIEPDCXBBIIG-UHFFFAOYSA-N 448.410 4.165 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)cc1[N+](=O)[O-] 428904780 HAAMKWXMBAQVHE-OAHLLOKOSA-N 433.530 4.499 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1 429933574 NLAXXKBQOUQREO-UHFFFAOYSA-N 425.363 4.021 5 20 IIBD COc1ccc(C(C)(C)CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1OC 430943659 JAZXFEMGZPYCJL-UHFFFAOYSA-N 437.290 4.082 5 20 IIBD CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCCN(Cc2ccccc2)C1 431468653 ATBNXWMKIBFGQA-SFHVURJKSA-N 432.318 4.094 5 20 IIBD COc1cc(CN(C)C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc(OC)c1 436094853 XEDHTMZINMEYOH-UHFFFAOYSA-N 438.430 4.249 5 20 IIBD CC(C)S(=O)(=O)Cc1cccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 437800616 NJOCBUGGMSMCDR-UHFFFAOYSA-N 431.514 4.115 5 20 IIBD Cc1c(CC(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)cccc1[N+](=O)[O-] 439042510 NPSZXARDOWMDIN-UHFFFAOYSA-N 447.491 4.160 5 20 IIBD Cc1cnn(-c2ccccc2)c1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 439862888 VYKBOTAFMFDTPD-UHFFFAOYSA-N 430.468 4.203 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cc(Br)cc(OC(C)C)c1 442041940 IKKJFIXNARZIHC-UHFFFAOYSA-N 436.262 4.030 5 20 IIBD C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444318592 QCQWGPOASQFBQR-NPMXOYFQSA-N 447.485 4.210 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1cccc(CSC2CCOCC2)c1 444892854 CIZLGGHMDJRYQR-UHFFFAOYSA-N 441.513 4.205 5 20 IIBD Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] 446431514 OVYYALVPANYBOL-UHFFFAOYSA-N 440.477 4.138 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)CC2CC2)c(Br)c1 447039541 PDFNPEDATKBULY-UHFFFAOYSA-N 443.294 4.097 5 20 IIBD CN(Cc1cc(Br)cn1C)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] 447672754 VEBDAPRCJJPKJU-UHFFFAOYSA-N 443.170 4.381 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCC[C@H](c2nnc3ccccn23)C1 447688664 YOXDBWFNCAIISC-NSHDSACASA-N 442.348 4.071 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCc2c(Br)cccc2C1 460203824 FCUZLTJBZIPECY-UHFFFAOYSA-N 428.290 4.198 5 20 IIBD CC(=O)N(C)c1ccc(S(=O)(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 460831631 OJKVWLIZWQHJOF-UHFFFAOYSA-N 441.465 4.171 5 20 IIBD O=[N+]([O-])c1ccc(Nc2ccccc2)c(NCc2ccc(S(=O)(=O)N3CCCC3)o2)c1 462204570 WAPBMMLPFJDUFA-UHFFFAOYSA-N 442.497 4.328 5 20 IIBD O=[N+]([O-])c1ccc(NCCc2nc(-c3ccncc3)cs2)nc1OCc1ccccc1 462507431 YVZBRUKEAMGFIX-UHFFFAOYSA-N 433.493 4.742 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccn(C)n1 462605783 IPMAUCKTARFTAB-KKSFZXQISA-N 426.904 4.456 5 20 IIBD CN(CC(=O)N1CCC[C@@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1)c1ccccc1[N+](=O)[O-] 463737905 UAYRRNNQXIFOGM-HXUWFJFHSA-N 439.903 4.438 5 20 IIBD CCCN(C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)C1 464563662 NPORQTUMWCGDMS-KRWDZBQOSA-N 427.501 4.200 5 20 IIBD CC(C)Oc1ccc(Cl)cc1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 464660238 BNNMONAYRGGFLD-UHFFFAOYSA-N 433.848 4.362 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@]2(C)CCO[C@H]2C2CC2)cc1 466844629 WTHWAATVJAZPBD-GMAHTHKFSA-N 426.469 4.331 5 20 IIBD O=C(Nc1ccc(F)cc1-c1nc(C2CC2)no1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 471652887 HRPUELFAUCZNCZ-UHFFFAOYSA-N 434.387 4.099 5 20 IIBD O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 473504312 HHVDEQPNDUWXTM-VWLOTQADSA-N 434.540 4.297 5 20 IIBD Cc1ccc(C)c([C@H]2CCCN2C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1 475555818 YOGALASMFSKWFU-GOSISDBHSA-N 437.525 4.469 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1)c1cccc([N+](=O)[O-])c1 478543853 AKUOGDKVZYBYAC-CYBMUJFWSA-N 448.410 4.358 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CS(=O)(=O)Cc1nc(-c2c(F)cccc2F)cs1 478713389 CTRCTOWPCVTAJF-UHFFFAOYSA-N 440.449 4.120 5 20 IIBD O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 479216154 MFLMJYNMEYBQAH-NSHDSACASA-N 431.773 4.415 5 20 IIBD COc1cc(CCNC(=O)N(C)Cc2c(Cl)cccc2Cl)c([N+](=O)[O-])cc1OC 480626552 YNYCHLZGOUGLJP-UHFFFAOYSA-N 442.299 4.303 5 20 IIBD CCc1ccc([C@H](C)NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC)cc1 481340143 OUUSMJGXLMFDBL-HNNXBMFYSA-N 439.541 4.405 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)c1C 481611447 RTYOYVHUAHJRJH-UHFFFAOYSA-N 445.541 4.417 5 20 IIBD Cc1ccc(NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)c(OCc2ccccc2)c1 483822083 RNABVUXTPVHXCW-UHFFFAOYSA-N 433.464 4.046 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1 484490494 PTHGPFXQJHSZJS-UHFFFAOYSA-N 428.558 4.097 5 20 IIBD C[C@H](NC(N)=O)c1noc(-c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)n1 485237638 IJQFRSNIQCILDM-VIFPVBQESA-N 442.482 4.135 5 20 IIBD O=C(c1ccccc1F)N1CCCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 485397166 RYPBLEKWSMPKLS-UHFFFAOYSA-N 438.434 4.288 5 20 IIBD CCOC(=O)C(C)(C)N(C)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 485628684 HIDORUQLAPEXGW-UHFFFAOYSA-N 433.892 4.274 5 20 IIBD O=[N+]([O-])c1cc(CNS(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc(C(F)(F)F)c1 487381028 QQLBMFCKTNJYDY-UHFFFAOYSA-N 442.337 4.197 5 20 IIBD O=C(NC[C@H]1CCCN(Cc2cccs2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 487918338 RKPIFEGIXAOYRJ-GOSISDBHSA-N 428.558 4.243 5 20 IIBD CCOC(=O)[C@@]1(CCSc2nc3cc4ccccc4cc3c(=O)n2CC)CCCC1=O 488768476 QGXMVEDGAHHQPZ-XMMPIXPASA-N 438.549 4.354 5 20 IIBD Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] 490432051 OLECTFVZQCUPJS-MRVPVSSYSA-N 436.291 4.003 5 20 IIBD COc1ccc([C@@H](C)NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc1Br 497780742 UYJNCWRQOGDEHI-GFCCVEGCSA-N 443.319 4.022 5 20 IIBD Cn1ccnc1SCc1ccc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)o1 498151929 GALKPDFLPRIQEH-SFHVURJKSA-N 430.511 4.101 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@H]3[C@@H]3C[C@H](C)CC[C@@H]3O)cc2[N+](=O)[O-])C1 500347879 VEPHDXUVYMEZHV-BKVSYOIESA-N 443.588 4.479 5 20 IIBD CCCc1csc(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)n1 503844768 XMTOLLPTMYHJSR-UHFFFAOYSA-N 446.510 4.057 5 20 IIBD CCOc1cc(C(=O)NCCCO[C@H]2CCCc3ccccc32)c([N+](=O)[O-])cc1OC 505555468 NHOQYUOYYCIAKV-FQEVSTJZSA-N 428.485 4.216 5 20 IIBD O=C(NCc1nc(CO)cs1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 505905719 HOGWCHVOCWWXSA-UHFFFAOYSA-N 435.914 4.278 5 20 IIBD COc1cc(C(=O)Nc2nnc3n2CCCC3)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 507701041 CDGOGWXAVBFDKZ-UHFFFAOYSA-N 443.847 4.229 5 20 IIBD Cc1ccc2nc([C@H]3CCCN(C(=O)c4cc(O)nc5ccc([N+](=O)[O-])cc45)C3)[nH]c2c1 508221200 QKDCUENQAAWBLB-AWEZNQCLSA-N 431.452 4.053 5 20 IIBD O=C(Nc1cc(Cl)ccc1O)C1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 509007231 OLDSYLONEBUCQN-UHFFFAOYSA-N 425.819 4.083 5 20 IIBD O=C(Nc1ccc2c(c1)COC2)c1ccc(C(=O)Nc2ccc3c(c2)COC3)c([N+](=O)[O-])c1 509945057 RNWXPFNEKUGGCF-UHFFFAOYSA-N 445.431 4.160 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1cccc(C)c1 513325714 TWSWKGCZTPPEIR-AWEZNQCLSA-N 441.513 4.310 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 514930930 UQMHURIWQVYRIB-UHFFFAOYSA-N 429.786 4.016 5 20 IIBD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 515770628 OAGDQRVNSXWYMC-UHFFFAOYSA-N 430.917 4.263 5 20 IIBD COc1ccc(CSCC(=O)NCc2csc(-c3ccccc3)n2)cc1[N+](=O)[O-] 520015549 OPHPIFWSKTXNIW-UHFFFAOYSA-N 429.523 4.277 5 20 IIBD O=C1[C@H](Sc2nnc(NCCc3cccs3)s2)CCN1c1cccc([N+](=O)[O-])c1 521837629 PYPJEDSMFUKDGX-OAHLLOKOSA-N 447.567 4.060 5 20 IIBD CC[C@@H]1CCCN(C(=O)c2ccccc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 522677153 GFPZPHNRNQEIES-QGZVFWFLSA-N 445.541 4.356 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1ccc(OCCc2ccccc2)nc1 522982883 JPHFXZPJENJBIM-MRXNPFEDSA-N 436.468 4.059 5 20 IIBD Cc1ccc(NCCCNC(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)c([N+](=O)[O-])c1 524827167 NPVOYNNLQABRHQ-UHFFFAOYSA-N 439.516 4.071 5 20 IIBD COc1cc([C@H](C)NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)ccc1OC1CCCC1 525044041 YSHMXOLQEOBGGQ-AWEZNQCLSA-N 444.484 4.433 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N[C@H]3CCC[C@H](S(C)(=O)=O)C3)cc2[N+](=O)[O-])cc1 525384063 NRMOJSFBDFMVDB-WMZOPIPTSA-N 448.566 4.140 5 20 IIBD O=C(Nc1ccc(CC(F)(F)F)cc1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 525539263 TVLKXJRMHZHRQL-ZDUSSCGKSA-N 427.404 4.004 5 20 IIBD CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 531650184 RXRCSBFIDLGMEH-OAHLLOKOSA-N 430.530 4.438 5 20 IIBD COc1ccc(CC(=O)Nc2cc(Br)ccc2N2CCCC2)cc1[N+](=O)[O-] 532438784 WWEWALVBPLDVQA-UHFFFAOYSA-N 434.290 4.147 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]1c1cccc(Br)c1 532473947 CEDPOTZTFTZBEE-QGZVFWFLSA-N 434.290 4.142 5 20 IIBD CNC(=O)c1cccc(NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c1 532747667 ZIJVWMAEUHVLMZ-UHFFFAOYSA-N 427.464 4.419 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@@H]1Cn1cnc2ccccc21 533750170 PHVWSIGLTHRZKP-QGZVFWFLSA-N 433.493 4.373 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Br)cc1 536468053 PFMAFVVBKLABFK-UHFFFAOYSA-N 439.287 4.265 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2cc([N+](=O)[O-])ccc2OC(C)C)cc1 537039914 UNEYBKYPBLWJFM-QGZVFWFLSA-N 449.573 4.263 5 20 IIBD CC(C)(NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1cccc(Cl)c1 538214453 GCJSRIIJMSSKPU-UHFFFAOYSA-N 426.698 4.474 5 20 IIBD CC[C@H](CSc1ccccc1[N+](=O)[O-])Nc1ccc(NC(=O)[C@H](C)n2cncn2)cc1 538550841 GZZXDCKLSDUHRB-JKSUJKDBSA-N 440.529 4.369 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](Cc1ccccc1)c1sccc1C 541595166 LRXJDBOIVUVAEL-LJQANCHMSA-N 425.510 4.485 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 542349349 FXVLTJUSUREYEU-UHFFFAOYSA-N 444.831 4.424 5 20 IIBD COc1cc(CN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C2CC2)ccc1OC(F)F 542958455 DLLOWNLMQGEYHI-UHFFFAOYSA-N 437.399 4.410 5 20 IIBD CCCN(CC(=O)O)C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 544617538 QEAFHALPRRTFTH-FOWTUZBSSA-N 439.493 4.458 5 20 IIBD O=C(c1cccc(-c2ccoc2)c1)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 545332440 LVLJKHCVVMTNMX-UHFFFAOYSA-N 431.452 4.084 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)n1 546399297 DODBYILCNMLCQS-QGZVFWFLSA-N 436.468 4.128 5 20 IIBD Cn1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)c2ccc(Cl)cc2)n1 547233933 VJYXXVHWLSPFBW-KRWDZBQOSA-N 449.692 4.264 5 20 IIBD Cc1cc(CNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)nc(C)n1 551681163 FROPHYKDTWOIHZ-UHFFFAOYSA-N 425.876 4.197 5 20 IIBD COCCCOc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1OC 553224621 JJVLSUPCKMYRND-UHFFFAOYSA-N 446.503 4.217 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N(C)Cc3nncn3C(C)C)cc2[N+](=O)[O-])cc1 553973721 FYTLYYXDPSHYBP-UHFFFAOYSA-N 425.514 4.499 5 20 IIBD COc1cccc(Oc2ncccc2CN[C@H](c2cccc([N+](=O)[O-])c2)c2nccn2C)c1 556872336 OJODDJDPNNOZEO-JOCHJYFZSA-N 445.479 4.403 5 20 IIBD CN(Cc1cc2ccccc2o1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 559171934 KIMRZFYXERGKOW-INIZCTEOSA-N 433.468 4.272 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)NCC(C)C)cc1 560041476 MMZRDBJVIWXYKE-UHFFFAOYSA-N 434.290 4.304 5 20 IIBD CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)ccc1Cl 566774457 MDVIESXOTUOQSN-CYBMUJFWSA-N 439.921 4.021 5 20 IIBD CCOc1ccc(NC(=O)CNc2cccc(Cl)c2OCC(F)F)c([N+](=O)[O-])c1 568560858 FNGQRMGFFNJQLQ-UHFFFAOYSA-N 429.807 4.341 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 576864993 WKLDBJTUXYFQQD-HNNXBMFYSA-N 435.402 4.218 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C2(S(=O)(=O)c3ccc(F)cc3)CCCCC2)cc1[N+](=O)[O-] 582025916 JPZZLPDBQWMSRD-INIZCTEOSA-N 448.516 4.396 5 20 IIBD COC(=O)[C@H](C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1 584401352 RSMYLIAOUWKXHW-LLVKDONJSA-N 435.274 4.270 5 20 IIBD O=C(N[C@H]1CC[C@@](O)(C(F)(F)F)C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 590433813 SXVUYKPAIICJNS-UGSOOPFHSA-N 426.416 4.322 5 20 IIBD CCCCNS(=O)(=O)c1cccc(NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 600860676 MSXVFOWTJBBFMS-UHFFFAOYSA-N 431.436 4.304 5 20 IIBD COc1ccc(CNC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] 604105396 QXXBYZFFGVUXTO-GHMZBOCLSA-N 443.344 4.312 5 20 IIBD CCOc1ccc(C(=O)N2CCc3[nH]c4c(Br)cccc4c3C2)cc1[N+](=O)[O-] 604349029 JIVNQZDGQNVYIE-UHFFFAOYSA-N 444.285 4.436 5 20 IIBD COc1cc([C@H](C)NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)ccc1OC1CCCC1 604456345 JZSZZOQLIOWYRS-HNNXBMFYSA-N 444.484 4.190 5 20 IIBD CCN(Cc1cc(Br)ccc1F)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 604469854 MEZZMYRTSLKUHJ-UHFFFAOYSA-N 447.264 4.344 5 20 IIBD Cc1ccc(COc2ccc(C[C@@H](C)NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)cc2)cc1 608899570 AWCYXRNBRGRMIY-GOSISDBHSA-N 436.512 4.161 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 609725305 XICIRXKKTOLITA-OAQYLSRUSA-N 432.860 4.056 5 20 IIBD O=C(NCC1(N2CCCC2)CCOCC1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609773755 DWLWAFPZCZFBPS-UHFFFAOYSA-N 440.500 4.154 5 20 IIBD Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C2)cc1 609793158 SCEVZIKOWYZTIC-INIZCTEOSA-N 444.919 4.159 5 20 IIBD O=C(N[C@@H]1CCN(C2CCCCC2)C1=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 610827324 DETFHRQCKKEJKX-HXUWFJFHSA-N 439.537 4.409 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)N[C@@H](CO)CC1CC1 611110313 MYZODOBMHWLLGV-CQSZACIVSA-N 437.855 4.140 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NC[C@@H](c3ccnn3C)C(C)C)cc2[N+](=O)[O-])n1 616014410 DDJIHYKZRJHVKQ-OAHLLOKOSA-N 445.570 4.414 5 20 IIBD Cn1cc([N+](=O)[O-])cc1C(=O)Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1 619219615 WDBJCNJUTRVRQQ-UHFFFAOYSA-N 433.346 4.195 5 20 IIBD O=C(CCc1cc(F)ccc1F)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727330585 VGSBACIKLXLQPM-UHFFFAOYSA-N 443.372 4.173 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 727710174 HZCLIRNOJSRQAH-FQEVSTJZSA-N 437.839 4.443 5 20 IIBD Cc1c(C(=O)OC[C@@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])oc2ccc(F)cc12 730702606 CQHNIPQGHCAEMS-HNNXBMFYSA-N 426.400 4.250 5 20 IIBD O=C(CCC(=O)c1ccc(Cl)cc1)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730706340 YVBZFRHHBPGDKR-KRWDZBQOSA-N 444.871 4.059 5 20 IIBD C[C@H](Oc1cccc(Cl)c1Cl)C(=O)O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 731511653 NUUXKVGUXBWILP-MEDUHNTESA-N 439.251 4.018 5 20 IIBD CC(C)(C)OC(=O)N1CCc2nc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])sc2C1 731966596 OVNJXSDKVIJCSU-UHFFFAOYSA-N 438.893 4.250 5 20 IIBD CC[C@H](C)N1C(=O)N[C@H](c2csc(-c3cccc([N+](=O)[O-])c3)n2)C(C(=O)OC)=C1C 733122317 XRIPGAAQBDPEHU-APPDUMDISA-N 430.486 4.030 5 20 IIBD CC[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 734003101 CDGWRYMWKOFDJM-MRXNPFEDSA-N 425.304 4.055 5 20 IIBD COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 734811923 PEZLPLMZFIMEEJ-KUHUBIRLSA-N 429.473 4.047 5 20 IIBD O=C(c1cc2cc(F)ccc2o1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 735435777 FXOCMKDGNGAKEJ-UHFFFAOYSA-N 437.349 4.461 5 20 IIBD CC(C)(C)OC(=O)NC1(C(=O)OCc2cc([N+](=O)[O-])ccc2Cl)Cc2ccccc2C1 736021504 MQHOYFIRBSQGCD-UHFFFAOYSA-N 446.887 4.354 5 20 IIBD O=C(OCc1cnc2ccccc2n1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 737331915 XHMQXFMYIQVCOG-UHFFFAOYSA-N 444.234 4.388 5 20 IIBD C[C@@H](Nc1ccc(C(=O)OC[C@@H]2Cc3cc(F)ccc3O2)cc1[N+](=O)[O-])c1ccccn1 740587655 DLVREHYJDJHIMI-KDOFPFPSSA-N 437.427 4.463 5 20 IIBD C[C@H]1C[C@@H](c2cccc(F)c2)N(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 742321533 MNLNGFGTDUHEAW-GTNSWQLSSA-N 443.294 4.268 5 20 IIBD COc1cc(CCNC(=O)/C=C(/C)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC 742498410 IEVSALIZWDPUHT-LCYFTJDESA-N 438.402 4.393 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 746264993 QCGUJTVORMPWIJ-SOVGHPHASA-N 436.867 4.269 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1 748071308 KQURFFJEKYPWNJ-HUUCEWRRSA-N 447.532 4.053 5 20 IIBD Cc1ccc(S(=O)(=O)c2ccc(COC(=O)Cc3cccc([N+](=O)[O-])c3C)cc2)cc1 748467398 JSQDPXKHDUGEAW-UHFFFAOYSA-N 439.489 4.330 5 20 IIBD Cc1cc(C)c(NC(=O)COC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c(C)c1 753431610 KJYDJFGJRKWIIV-UHFFFAOYSA-N 435.274 4.386 5 20 IIBD COC(=O)c1cc(C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2C)cc([N+](=O)[O-])c1 754220196 IZKRQSCLVJNVHT-UHFFFAOYSA-N 429.429 4.289 5 20 IIBD Cc1coc(-c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3I)c2)n1 758877553 IMPFXMCPEQQUJD-UHFFFAOYSA-N 449.204 4.415 5 20 IIBD Cc1ccc(C(=O)O[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1NC(=O)c1ccco1 759931031 LYLDEOQCRAEAOE-ZWKOTPCHSA-N 438.440 4.286 5 20 IIBD COc1ccc(-c2nc(C(=O)O[C@@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)cs2)cc1 759954278 WMHLQTNGUYTYAJ-IAGOWNOFSA-N 428.470 4.264 5 20 IIBD C[C@@H](C(=O)Nc1cnc2c(c1)C[C@@H](NC(=O)OC(C)(C)C)CC2)c1cccc([N+](=O)[O-])c1 762234836 FDZNEHGSFPQUCL-PBHICJAKSA-N 440.500 4.114 5 20 IIBD O=C(NCC1(c2ccc(F)cc2F)CC1)c1cc(F)cc([N+](=O)[O-])c1Br 762400531 DLNBGDKYLXNDFC-UHFFFAOYSA-N 429.192 4.236 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H](O)c1cccc(OCc2ccccc2)c1 762529216 WAXBNURDFASBOX-JOCHJYFZSA-N 440.883 4.220 5 20 IIBD COc1ccc([C@@H](NC(=O)COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C(C)C)cc1 762989500 MKIHREXXQQDTMN-NRFANRHFSA-N 446.475 4.077 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 764080967 YKVSCNBTTBJHMP-LJQANCHMSA-N 429.517 4.123 5 20 IIBD O=C(OCc1nc2cc(C(F)(F)F)ccc2o1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 767343434 AYPFBDTXAXNYQI-UHFFFAOYSA-N 433.298 4.366 5 20 IIBD Cc1ccc(Cc2nc(C(=O)OCC(=O)Nc3c(C)cccc3[N+](=O)[O-])cs2)cc1 768659819 XXRJLLVBKILVFO-UHFFFAOYSA-N 425.466 4.054 5 20 IIBD C[C@H](OC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 769673928 SZXGKVRRYMZVJH-JTQLQIEISA-N 437.235 4.473 5 20 IIBD CCCN(C(=O)c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1F)C(C)C 771156991 MIDXOGQAYBNGOZ-UHFFFAOYSA-N 437.493 4.104 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C2 773744933 ZUQYIWLXNGPBFH-UHFFFAOYSA-N 431.533 4.122 5 20 IIBD CC[C@@H]1CN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC[C@@H]1NC(=O)OC(C)(C)C 774638400 GPOFWRKAISFKMY-DYVFJYSZSA-N 437.928 4.181 5 20 IIBD COc1ccc(OC)c(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c1 775086041 JUHYFBQCAMZEGH-ZDUSSCGKSA-N 448.497 4.297 5 20 IIBD CC1CCC(N2C[C@@H](C(=O)O[C@@H](c3cccnc3)c3ccccc3[N+](=O)[O-])CC2=O)CC1 776137473 JFONGFLVLICNEH-IQKIGCNNSA-N 437.496 4.050 5 20 IIBD Cc1ncc(C(=O)O[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)c(C)n1 777196564 OHDOXFSDDQSLSM-IBGZPJMESA-N 440.843 4.192 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCc2ncc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)cc2C1 777237477 SFCLJAXCUCBFBY-CQSZACIVSA-N 446.891 4.278 5 20 IIBD O=C(N[C@H](c1ccc(F)cc1)c1cccs1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781582956 YSGWSQKMPZVBCJ-UYAOXDASSA-N 425.441 4.194 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)[C@H](C)Oc2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] 782375100 FMYNGAXLVUJVBX-STQMWFEESA-N 440.374 4.260 5 20 IIBD C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N2CCOC2=O)cc1 783938459 LVWBNPKTCFGTBK-LBPRGKRZSA-N 435.889 4.174 5 20 IIBD CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 784445179 WIYSYZVOEMXXBD-UHFFFAOYSA-N 441.456 4.399 5 20 IIBD C[C@H](NC(=O)COC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 790741905 GZDQFDPVHXCHGW-JTQLQIEISA-N 429.231 4.004 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)c1=S 799157063 NYZXCAFIBRPXGI-XWPNQZOQSA-N 445.589 4.228 5 20 IIBD CCCc1noc2nc(CC)cc(C(=O)OCc3nc(-c4cccc([N+](=O)[O-])c4)no3)c12 800324545 BTGYVQGJAFOITM-UHFFFAOYSA-N 437.412 4.053 5 20 IIBD CCOC(=O)c1cc(N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)ncc1Cl 804702722 FHBHGIHBWKKSEJ-UHFFFAOYSA-N 440.681 4.145 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O 809917738 POSMILTYDNJESB-GFCCVEGCSA-N 442.781 4.194 5 20 IIBD CCOc1ccc(C(=O)N2CCC([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1[N+](=O)[O-] 810945419 IGUDCUCCJROQSB-GOSISDBHSA-N 447.532 4.103 5 20 IIBD CCn1cc(C(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c(=O)c2ccc(C)nc21 811032866 ZCDBQMPYZXBZKW-UHFFFAOYSA-N 436.251 4.297 5 20 IIBD C[C@@H](C(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)c1ccc(Br)s1 813171580 MGOQLMQTBRNUKD-DOMZBBRYSA-N 439.331 4.340 5 20 IIBD O=C(Nc1cccc(F)c1)OC1CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 813529003 QOUPJNZCKVLGQA-UHFFFAOYSA-N 428.203 4.114 5 20 IIBD CCc1nc2c(s1)[C@@H](N(C)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])CCC2 815024366 AAIFOQGFORYJIU-LBPRGKRZSA-N 433.914 4.104 5 20 IIBD COc1cc(/C=C\C(=O)N(C)c2ccc([N+](=O)[O-])cc2)ccc1OCc1c(C)noc1C 823813085 VOQQODYRIQWZSP-SDQBBNPISA-N 437.452 4.463 5 20 IIBD O=[N+]([O-])c1ccc(-n2ccc(-c3nc(-c4ccc(Br)cc4)no3)n2)c(F)c1 904708764 LPJQHUTVLVQQHX-UHFFFAOYSA-N 430.193 4.399 5 20 IIBD CC(C)[C@@H](C)N(C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C1CC1 914779002 WPRAQJZBDZFCJD-OAHLLOKOSA-N 432.498 4.012 5 20 IIBD O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCc1ccc(N2CCc3ccccc3C2)nc1 917083253 CHRYWKBWKIJGIL-UHFFFAOYSA-N 443.507 4.057 5 20 IIBD COc1ccc([C@H](NC(=O)COC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C(C)C)cc1 917262961 HIBKGEKVAUJVNX-OAQYLSRUSA-N 426.425 4.020 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1cc2c(cc1Br)OCCO2 917787766 LIQOXUQXHYRCOZ-VIFPVBQESA-N 441.665 4.273 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)Oc2ccc(OCc3ccncc3)cc2)cc1[N+](=O)[O-] 917919727 QPRNCRCBCYYEBK-UHFFFAOYSA-N 434.857 4.298 5 20 IIBD Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)O[C@@H](C)c2ccccc2[N+](=O)[O-])c1 920267312 FEBLEFRVXKSVTE-HNNXBMFYSA-N 426.498 4.497 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC(=O)N[C@@H](C)c1ccccc1Cl 920776990 FZZUTVJGHBYCIR-RYUDHWBXSA-N 441.267 4.090 5 20 IIBD C[C@@H](C(=O)NCc1ccccc1CNC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1F 1116581638 OKLRVMHNUJEZDY-CQSZACIVSA-N 431.464 4.179 5 20 IIBD COc1ccc(-c2cc(NC(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)ccc2OC)cc1 1255937591 JFSRDQDXPKMCLG-UHFFFAOYSA-N 447.451 4.477 5 20 IIBD CC(C)(C)OC(=O)Nc1cc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)ccc1F 1321458453 QLILBOTWHXCENS-UHFFFAOYSA-N 433.392 4.104 5 20 IIBD Cc1ccccc1C(F)(F)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1323148493 BVKISIQXIFYJEN-UHFFFAOYSA-N 432.301 4.196 5 20 IIBD Cc1ccc2c(c1)S[C@@H](C(=O)N1CCc3c(Br)ccc([N+](=O)[O-])c3C1)C2 1323359949 AUHCDQOUPXTDEM-GOSISDBHSA-N 433.327 4.267 5 20 IIBD CC(=O)NCc1ccc(-c2csc(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)n2)cc1 1327152879 JOLTWHWYRWCYQP-UHFFFAOYSA-N 435.465 4.088 5 20 IIBD C[C@@H](Cc1ccco1)C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1 1790188595 XEDCCIUFGVNEGU-HNNXBMFYSA-N 436.468 4.142 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@@H]3CCC=CO3)CCC2)cc1)c1cc(F)cc([N+](=O)[O-])c1 1790697752 PDBMRDPTHZRFRQ-FQEVSTJZSA-N 439.443 4.174 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3ccoc3c2)[nH]n1)c1ccc([N+](=O)[O-])[nH]1 1820367402 OZYJWTGASWMIKW-KRWDZBQOSA-N 448.439 4.012 5 20 IIBD COc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(C)CCC3)CC2)ccc1[N+](=O)[O-] 1823711693 LYJGKSKMHCMGCG-LJQANCHMSA-N 443.544 4.027 5 20 IIBD Cc1c(Cl)cccc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCc1cccc([N+](=O)[O-])c1 1847367108 QKBIVZZEIGKGGQ-SFTDATJTSA-N 441.915 4.005 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)NCCSc2ccc(Cl)cc2)cc1[N+](=O)[O-] 15028540 BEJPLCMTLAMFLV-UHFFFAOYSA-N 449.945 4.050 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)c1 16235055 FYQUPOTZVWKOJD-UHFFFAOYSA-N 434.827 4.226 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc([C@H](C)Nc2ccc([N+](=O)[O-])c3cccnc23)cc1 24058322 XIVYCYFIKCVPND-HNNXBMFYSA-N 428.514 4.347 5 20 IIBD CC(C)c1ccc(-c2nc(C(=O)N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)cs2)cc1 33111547 KKXZDRXLOXJGLV-UHFFFAOYSA-N 437.525 4.199 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1 64856773 RTOFXLZHSCRSGU-CYBMUJFWSA-N 440.843 4.302 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1ccc(Cl)cc1NC(=O)c1ccco1 109394295 DBLJMOGHRJBONC-UHFFFAOYSA-N 433.779 4.250 5 20 IIBD Cc1nn(C)c(C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2F)c1[N+](=O)[O-] 195642081 UATXTIWIZRAHNM-MRXNPFEDSA-N 447.264 4.058 5 20 IIBD O=C(NCc1ccc(F)cc1)C1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 301661346 JPCIHRYXGNDXQB-UHFFFAOYSA-N 436.281 4.029 5 20 IIBD Cc1ccc2[nH]c([C@H]3CCCN(c4ccc(C(=O)c5nccn5C)cc4[N+](=O)[O-])C3)nc2c1 302057802 RIIUEINEGLARGD-KRWDZBQOSA-N 444.495 4.128 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(N2CCc3ccccc32)CC1 410280030 UMKJOPFXECNZLG-UHFFFAOYSA-N 431.945 4.394 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(C(F)(F)F)nc2OC(C)C)c(C)c([N+](=O)[O-])c1 427326285 DONPWWNYBMFYNN-UHFFFAOYSA-N 441.362 4.143 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c(Cl)c1 427793203 NQERGZNCBYWNDS-GFCCVEGCSA-N 441.962 4.152 5 20 IIBD C[C@H]1[C@H](CO)CCN1C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 427825731 ZAOMAZMTHTVRQC-JSGCOSHPSA-N 429.523 4.199 5 20 IIBD CCc1ccc([C@H](Nc2ccc3c(c2)CCN3C(=O)COC)c2ccc([N+](=O)[O-])cc2)o1 427879610 CPBOUEYGUWAJJV-XMMPIXPASA-N 435.480 4.487 5 20 IIBD CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 427897694 QVGUPCBHLYFQKQ-UHFFFAOYSA-N 435.358 4.079 5 20 IIBD CCCC[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C 430325359 WVKSIGFEHSZFNM-OCCSQVGLSA-N 426.311 4.079 5 20 IIBD C[S@](=O)Cc1cc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])ccc1Cl 430601692 FCEQHEOWBASTPY-DEOSSOPVSA-N 431.695 4.142 5 20 IIBD Cc1nc2ccc(C(=O)N[C@H](CC(=O)OC(C)C)c3ccccc3[N+](=O)[O-])cc2s1 431190477 BBOXCTAHGJUNRJ-QGZVFWFLSA-N 427.482 4.326 5 20 IIBD O=C1c2ccccc2C(=O)N1c1cccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 437589752 LSHFWNANWAKYJS-UHFFFAOYSA-N 441.443 4.200 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 443950993 WHSZXCDCWQUNTE-OAHLLOKOSA-N 441.406 4.134 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)Nc2c(-c3ccncc3)nc3ccccn23)cc1[N+](=O)[O-] 446714655 LRQBGQPSJGBILS-UHFFFAOYSA-N 443.872 4.067 5 20 IIBD Cc1coc(-c2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Br)c2)n1 446987437 SDYGMFKLBJCVSD-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD Cc1nc(N2CCN(c3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])CC2)sc1C 447685004 GXVNXZURBUAIDJ-UHFFFAOYSA-N 437.394 4.044 5 20 IIBD O=C(Cc1noc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n1)Nc1cccc(C(F)(F)F)c1 460152863 CXSGADCUNMAZEH-UHFFFAOYSA-N 445.357 4.250 5 20 IIBD COc1cc(C(=O)N(C)CCc2cccs2)c([N+](=O)[O-])cc1OCc1cscn1 464349468 GSVRWARMXHONDI-UHFFFAOYSA-N 433.511 4.015 5 20 IIBD C[C@@H](CO[C@@H]1CCOC1)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 466438445 LRGJCRXFFWWXLH-DZGCQCFKSA-N 436.917 4.323 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CC[C@@H](C)[C@@H](n4ccnc4)C3)cc2[N+](=O)[O-])n1 469381812 QTPZBUIXIZLZJM-DYVFJYSZSA-N 443.554 4.431 5 20 IIBD Cc1c(CSC(C)C)cccc1NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 469449550 DCRNPIDTLNJBEW-UHFFFAOYSA-N 441.509 4.451 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(C)CCOc2ccc(C(F)(F)F)cc2)cc1SC 469534891 FVNZFSBRCYVXGR-UHFFFAOYSA-N 444.431 4.495 5 20 IIBD CC[C@H]1CN(C(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)CC[C@H]1c1ccccc1 470018593 PYUDGSRHLZFQLZ-AZUAARDMSA-N 446.507 4.105 5 20 IIBD CS(=O)(=O)Cc1cc(F)ccc1NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 470921491 STOXFPSNXRUCLL-UHFFFAOYSA-N 443.456 4.274 5 20 IIBD COc1ccccc1[C@H](CC(C)C)NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 471451731 OMOBWGMNGNMOAB-SFHVURJKSA-N 441.484 4.195 5 20 IIBD CN(Cc1ccnn1C)C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 471574277 PITZKNNREAHSDC-UHFFFAOYSA-N 439.522 4.361 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc2c(cc1NC(=O)c1cccs1)OCCO2 473464463 OPTPZTROMBHYPC-UHFFFAOYSA-N 439.449 4.241 5 20 IIBD C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 473528096 GWOQUJKGDTWJAG-MUWSIPGASA-N 429.523 4.289 5 20 IIBD COC(=O)COc1ccc([C@@H](C)NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 475200755 BKQFBNHOCMHARM-LLVKDONJSA-N 441.362 4.048 5 20 IIBD CC(C)(C)Oc1cc(NCc2ccc(N3CCCS3(=O)=O)c(F)c2)ccc1[N+](=O)[O-] 475743259 XXDANQYXVYLVDM-UHFFFAOYSA-N 437.493 4.063 5 20 IIBD C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 477040327 AXFIWZWFGBRKOV-SECBINFHSA-N 428.253 4.487 5 20 IIBD C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 477813904 CPZNHACYNVOCCV-INIZCTEOSA-N 432.908 4.003 5 20 IIBD CCOc1cc(OCc2nc(-c3ccc(Br)s3)no2)ccc1[N+](=O)[O-] 478730521 LWMHTOATFHGKLJ-UHFFFAOYSA-N 426.248 4.447 5 20 IIBD O=[N+]([O-])c1ccn(CCSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)n1 481268950 PFATXYVKDPYWNZ-UHFFFAOYSA-N 430.877 4.137 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(Cl)c2N2CCOCC2)cc1SC 482068806 QDDICBQMYQRRKZ-UHFFFAOYSA-N 437.905 4.068 5 20 IIBD COc1ccccc1-c1csc(C2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)n1 483044961 HDPLBRSITGTWCP-UHFFFAOYSA-N 439.493 4.452 5 20 IIBD CC[C@H]1CN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O 486176833 MTUXLLFRZPJCLZ-PMACEKPBSA-N 439.512 4.035 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2ccnc2)c(Cl)c1 486674653 IYJOTTMQSWRQPY-UHFFFAOYSA-N 432.889 4.425 5 20 IIBD COC(=O)c1cc(NC(=O)N(Cc2ccccc2)CC2(O)CCCC2)c(C)c([N+](=O)[O-])c1 486860271 USMUVZJYKUOGFS-UHFFFAOYSA-N 441.484 4.029 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cnn(-c3ccccc3)c2C(C)C)cc1[N+](=O)[O-] 487762891 OQXBWSNVVGYDSY-INIZCTEOSA-N 435.484 4.028 5 20 IIBD O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@H](OCc2ccccn2)C1 488120447 CRDACWAZOLOARY-NRFANRHFSA-N 432.480 4.033 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)c1C 488385039 IJWWTXOZQFQZPI-AWEZNQCLSA-N 440.905 4.081 5 20 IIBD Cn1ccnc1[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(Cl)cc1 489811028 SQZGBEMIYYKVJQ-HXUWFJFHSA-N 439.903 4.445 5 20 IIBD Cc1c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cccc1C(=O)N1CCSCC1 499494853 HROGLWJFHRTSQK-UHFFFAOYSA-N 425.466 4.091 5 20 IIBD Cc1ccccc1C(C)(C)CNC(=O)c1ccc([N+](=O)[O-])cc1I 505436073 CUPGNQRBGDBERQ-UHFFFAOYSA-N 438.265 4.215 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](CN(CC)CC(F)(F)F)C1 506737217 LRWKYKKFLKIJHP-AWEZNQCLSA-N 433.496 4.443 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 509998378 QNMQVFZTHQPDDX-LJQANCHMSA-N 427.819 4.232 5 20 IIBD CCCCCN(C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(C)C 512562243 RYQBJXIERYMDSD-UHFFFAOYSA-N 433.530 4.436 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccccc1 513867043 ZXBHPOIHMVCZQG-LLUDDFSJSA-N 441.915 4.475 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)c1ccc(-c2csc(C)n2)cc1 514502466 IVUUXLFCZPSEAK-GFCCVEGCSA-N 433.511 4.075 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCC[C@H]1Cc1c(F)cccc1Cl 520567842 BPDLVQUMYVRKTB-NSHDSACASA-N 440.258 4.213 5 20 IIBD COc1cc([C@H]2Nc3cccc(C)c3C(=O)N2CCc2ccccc2)c([N+](=O)[O-])cc1O 521107306 YNVPTVBLDCOKEK-QHCPKHFHSA-N 433.464 4.427 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 521179957 HDYWWRUITGOCAD-GOSISDBHSA-N 448.262 4.369 5 20 IIBD NC(=O)c1cccc(Oc2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)c1 521347034 VJTIDQBFICKKMW-UHFFFAOYSA-N 446.463 4.339 5 20 IIBD COc1cc(OCC(=O)N2CCc3sccc3[C@H]2c2cccs2)ccc1[N+](=O)[O-] 521354332 SITRRGVTFAVGCJ-FQEVSTJZSA-N 430.507 4.280 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](Cc1ccccc1)c1sccc1C 523047585 MGGQNDIHATWCRN-GOSISDBHSA-N 439.493 4.012 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NCc2ccc(OC3CCCCC3)nc2)c([N+](=O)[O-])c1 523353759 FCDQWHGJKYZQBD-UHFFFAOYSA-N 435.484 4.278 5 20 IIBD Cc1ccc([C@H]2COCCN2C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)o1 523973656 JMWRLDAWOKJOJX-IIBYNOLFSA-N 436.468 4.278 5 20 IIBD CCN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@H](c1cccnc1)c1ccc(F)c(C)c1 524167618 PSKCAUCWFYXGQK-QFIPXVFZSA-N 437.427 4.418 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 525626403 AUVKTPIVZPXXIY-XMMPIXPASA-N 425.448 4.332 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(F)cc2Br)c(C(F)(F)F)c1 533327072 FNXFAFUPXODXTK-UHFFFAOYSA-N 443.172 4.316 5 20 IIBD COCCOc1c(Cl)cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1Cl 536906466 ZAWVYVKPEPSTEH-UHFFFAOYSA-N 435.285 4.036 5 20 IIBD Cc1nn(CCC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c(C)c1[N+](=O)[O-] 537246689 LMBRQUBLRUYVFW-HNNXBMFYSA-N 438.328 4.237 5 20 IIBD COc1ccc(CC(=O)N2CCc3sc(-c4csc(C)n4)cc3C2)cc1[N+](=O)[O-] 537930397 PNBPLRRTIMHAJI-UHFFFAOYSA-N 429.523 4.224 5 20 IIBD CC1CCN(C(=O)C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)CC2)CC1 538235868 RFTANKQAMAIDAT-UHFFFAOYSA-N 433.574 4.206 5 20 IIBD COC(=O)COc1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c2ccccc12 543457211 CWJIQHCPMLFPOV-ZDUSSCGKSA-N 426.400 4.181 5 20 IIBD O=C(Nc1cnn(-c2ccccc2)c1C(F)(F)F)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 544359399 ADPSTLUBWARETA-UHFFFAOYSA-N 442.357 4.237 5 20 IIBD Cc1ccc(C(=O)c2c(NC(=O)Cc3ccccc3[N+](=O)[O-])sc3c2CCN(C)C3)cc1 544766425 SBXDTFMTNONPST-UHFFFAOYSA-N 449.532 4.365 5 20 IIBD CCc1cc(=NC(=O)c2ccc(OC)cc2Br)c2cc([N+](=O)[O-])ccc2[nH]1 545197554 CUNLDTQHDCRXJB-UHFFFAOYSA-N 430.258 4.151 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)NCC1(c2cccc(C(F)(F)F)c2)CCC1 546770074 OSCATAPILFSCRS-UHFFFAOYSA-N 428.432 4.155 5 20 IIBD CC(C)Cc1ccc(C(=O)C2CCN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])CC2)cc1 546797828 IHENYPMUKDQHIP-UHFFFAOYSA-N 444.553 4.218 5 20 IIBD CCC[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1cccc(C(F)(F)F)c1 549489841 PTTSHPWCPKNJOL-HNNXBMFYSA-N 439.390 4.218 5 20 IIBD O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 549611247 ABSMPHDASKDIOY-QGZVFWFLSA-N 445.273 4.450 5 20 IIBD COc1cc(CN2CCC3(CCN(Cc4ccccc4)CC3)C2)c([N+](=O)[O-])cc1OC 552060064 GWEGTZIMNUTUDG-UHFFFAOYSA-N 425.529 4.100 5 20 IIBD CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 554787738 ZAGDTZICAHPKIJ-HXNAPQRPSA-N 439.516 4.257 5 20 IIBD Cc1cnc(C2CCN(Cc3cc(I)cc([N+](=O)[O-])c3)CC2)s1 554935329 AXJJAAROGRTHED-UHFFFAOYSA-N 443.310 4.344 5 20 IIBD O=C1CC[C@H](NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])[C@@H](C2CC2)N1 556467028 GEPDIZLWBSIAHM-QFBILLFUSA-N 445.928 4.186 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 557564418 RXEYTHOJFOJQBJ-SFHLNBCPSA-N 435.505 4.363 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@@H]2c3cc(Br)ccc3CC2(C)C)cccc1[N+](=O)[O-] 563463989 JZFBVRBFTLMDMF-QGZVFWFLSA-N 446.301 4.044 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)CC1(CC(=O)Nc2nccs2)CCCCC1 568426910 YLNKBQRZDDKQIF-UHFFFAOYSA-N 444.557 4.422 5 20 IIBD CCOc1ccc(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c(C(F)(F)F)c1 568451668 LEFMLHHTSYGWAV-UHFFFAOYSA-N 425.363 4.439 5 20 IIBD CC(=O)c1cc(Br)cc(Cl)c1OC[C@H](O)COc1ccccc1[N+](=O)[O-] 581333229 VTCVGCQXAFXIIW-GFCCVEGCSA-N 444.665 4.032 5 20 IIBD C[C@H](Nc1nc(O)c2cc([N+](=O)[O-])ccc2n1)c1cccc(NC(=O)c2ccccc2)c1 582837285 QFPDXBWLCMFAEC-AWEZNQCLSA-N 429.436 4.669 5 20 IIBD O=C(NCCO[C@@H]1CCCCO1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 590385460 NRKHSRXUSQRWQO-HXUWFJFHSA-N 433.892 4.133 5 20 IIBD CC(C)(NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccccc1[N+](=O)[O-] 590455127 KNLSGIOPOCHQEV-UHFFFAOYSA-N 439.493 4.061 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Sc3nccn3C)cc2)cc1OC 590655543 WYXOJCJRTRPOAM-UHFFFAOYSA-N 428.470 4.139 5 20 IIBD COc1cc(CCNC(=O)Nc2ccc(-c3nccs3)cc2)c([N+](=O)[O-])cc1OC 603649343 JLQOTOZGUVVPBY-UHFFFAOYSA-N 428.470 4.100 5 20 IIBD CS(=O)(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c1 603862107 GGHPFTUFURHVII-UHFFFAOYSA-N 427.438 4.011 5 20 IIBD Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NC(=O)COc1cccc([N+](=O)[O-])c1 603977144 UBZIQEAJESWOPI-IYBDPMFKSA-N 425.485 4.039 5 20 IIBD CCOc1ccccc1NC(=O)[C@@H](NCc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 604048011 XOKBDSNJQJVZBJ-QHCPKHFHSA-N 435.480 4.472 5 20 IIBD CCCOc1cc(NC(=O)[C@H]2COc3cc(OC)ccc3C2)c([N+](=O)[O-])cc1OCCC 604511401 IHCMOTWVYHWWJU-MRXNPFEDSA-N 444.484 4.371 5 20 IIBD Cc1cc(Cl)ccc1Cc1cnc(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)s1 608804579 BCJPJYUCMXMFGV-UHFFFAOYSA-N 433.921 4.446 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(-n3ccnn3)cc2)cc1 608873620 ANLOMMOHAPQVPL-UHFFFAOYSA-N 431.408 4.229 5 20 IIBD CC[C@@H](C)[C@@H](C)N(C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C1CC1 609189972 HZIFKBHDVYDGAM-HZPDHXFCSA-N 445.541 4.435 5 20 IIBD C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 609392721 RXVDQDSYSOPNAF-NSHDSACASA-N 443.809 4.216 5 20 IIBD COc1cc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1NC(=O)c1cccnc1 609499891 RFQLRPRIBXYMGD-UHFFFAOYSA-N 426.816 4.156 5 20 IIBD O=C(NC1CC1)c1ccc(CN(c2ccc(Br)cc2[N+](=O)[O-])C2CC2)cc1 609586211 RIEUVVGTYLAPFF-UHFFFAOYSA-N 430.302 4.419 5 20 IIBD O=C(CCCCc1ccc(Br)cc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 609840119 GDQDKXZSUUVMLT-QGZVFWFLSA-N 447.333 4.178 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@H]1[C@@H](O)C(F)(F)F 609845696 JTGUKDIHZHVUIO-DLBZAZTESA-N 425.363 4.307 5 20 IIBD CCC[C@H](CCc1ccccc1)NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 610180848 SFNOWCIKJVTINN-GOSISDBHSA-N 439.541 4.406 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@@H](C)c3ccco3)cc2)cc1[N+](=O)[O-] 610195004 GGGGGLJPXIZYOE-AWEZNQCLSA-N 429.454 4.039 5 20 IIBD COC(=O)c1ccc(OCc2ncc(-c3ccc(Br)cc3)o2)cc1[N+](=O)[O-] 613109432 IBXMZTOVTAVRHF-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD CCOc1ccc2c(c1)[C@@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])CCO2 613943819 HRYKDWZJJRDAER-INIZCTEOSA-N 440.374 4.188 5 20 IIBD CCOc1cnc(C(=O)N(CC(C)C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cn1 614511750 ROBOJNBBNTUOGK-UHFFFAOYSA-N 427.486 4.210 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)c1ccc(-c2csc(C)n2)cc1 619475187 USTAYQWLVHGKTC-GFCCVEGCSA-N 433.511 4.075 5 20 IIBD C[S@@](=O)c1ccc(CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])cc1 619655605 PCPSBFXJGPEDKU-GDLZYMKVSA-N 426.519 4.413 5 20 IIBD O=C(COc1cc(C(F)(F)F)ccc1Cl)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 619845331 KLRGCMDLGYQWBA-UHFFFAOYSA-N 446.765 4.446 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1csc(-c2c(F)cccc2F)n1 726217736 GGJXFZOGZNDWHZ-UHFFFAOYSA-N 433.392 4.100 5 20 IIBD Cc1cccc(CC(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 726830292 KMYSOWHFWMJWKZ-AWEZNQCLSA-N 425.466 4.140 5 20 IIBD O=C(Nc1cccnc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727472654 YTMOWVMXYBGVNL-UHFFFAOYSA-N 429.786 4.016 5 20 IIBD O=C(Nc1cc(Cl)ccc1C(=O)N1CCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 727988511 RGLVOTYGYIQOEZ-UHFFFAOYSA-N 432.820 4.035 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)c([N+](=O)[O-])c1 731273118 YHFYENCZBZSRBW-VQTJNVASSA-N 434.448 4.432 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Br)N(Cc1ccccc1)CC1CCOCC1 732007840 MGTAOHXPESNMSX-UHFFFAOYSA-N 433.302 4.426 5 20 IIBD O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cc(Cl)ccc1[N+](=O)[O-] 733990720 IYHXGGHTDFPIMP-OAHLLOKOSA-N 427.810 4.271 5 20 IIBD COc1ccc(COC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC(F)F)c1 734325975 QPZJCVNJBHLNOK-SNVBAGLBSA-N 431.775 4.369 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)Nc1cccc2ncccc12 740409267 DPEJNDDDQQNHQV-NSHDSACASA-N 444.241 4.090 5 20 IIBD CCc1c(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nnn1-c1ccc(OC(C)C)cc1 741175412 FGOHHPHJRFFVNZ-UHFFFAOYSA-N 429.864 4.431 5 20 IIBD Cc1nnc([C@H](C)OC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)o1 744570620 PSZYICFBJYESJY-JTQLQIEISA-N 430.804 4.110 5 20 IIBD CC(C)(C)OC(=O)C1(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CCCCC1 746276822 CPSXIVNAWKPGGO-UHFFFAOYSA-N 445.285 4.271 5 20 IIBD Cc1c(CC(=O)O[C@@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)cccc1[N+](=O)[O-] 748477373 WWJLDKVTDRECSM-AWEZNQCLSA-N 425.466 4.140 5 20 IIBD Cc1c(C(=O)O[C@H](C(=O)N2CCCCC2)c2ccccc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748945887 BKQMSPBRIIHUDT-FQEVSTJZSA-N 441.440 4.030 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@@H]1C[C@@H](O)c1cccs1 751191615 UFMBUUROHSRKNU-VGOFRKELSA-N 432.545 4.331 5 20 IIBD CSc1ncc(C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)n1-c1ccc(F)cc1 751624774 XYGIMJDQDIKOCU-UHFFFAOYSA-N 428.401 4.140 5 20 IIBD NC(=O)N[C@H](CC(=O)OCc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 752217243 MSMJCIBHEMPAEI-OAQYLSRUSA-N 435.436 4.230 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)NCc2cccc(NC(=O)CC(C)C)c2)cc1[N+](=O)[O-] 752235282 KCNYUSYWSCUXHG-UHFFFAOYSA-N 439.921 4.020 5 20 IIBD CCc1ccc(-c2csc(NC(=O)COC(=O)c3c(F)ccc([N+](=O)[O-])c3F)n2)cc1 752567777 VTVWFDUKEDNRGH-UHFFFAOYSA-N 447.419 4.354 5 20 IIBD CCOc1cc(C(=O)N(Cc2ccc[nH]2)c2ccc(N(C)C)cc2)c([N+](=O)[O-])cc1OC 754393312 IJYURLIIWMCCKH-UHFFFAOYSA-N 438.484 4.243 5 20 IIBD CC[C@H]1CCCN(C(C)(C)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 754636944 SYJRIABLTRHRMO-LBPRGKRZSA-N 430.318 4.127 5 20 IIBD C[C@H](OC(=O)c1cc(-c2ccccn2)ccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1 754996144 BCWTVZFJQHMNGM-ZDUSSCGKSA-N 425.828 4.494 5 20 IIBD Cc1nc(CC(C)C)c(C(=O)OC[C@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])s1 756277707 RJYMVZSTTCANEL-OAHLLOKOSA-N 431.514 4.020 5 20 IIBD C[C@H](OC(=O)c1cnc(Cc2ccccc2)s1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 756534450 KVNHVXRQGODVLN-LBPRGKRZSA-N 445.884 4.480 5 20 IIBD COc1ccc(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc1Br 756931338 HTYFTMTVYBCOFV-UHFFFAOYSA-N 428.670 4.019 5 20 IIBD Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 759040620 DGTGOTIWWKDGCH-HNNXBMFYSA-N 444.919 4.190 5 20 IIBD C[C@H](C[C@@H](O)c1ccccc1)NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 759112126 XBPMNYZLTSFOJG-FZKQIMNGSA-N 425.407 4.044 5 20 IIBD CN(C(=O)c1ccc(I)c([N+](=O)[O-])c1)c1cccc2ncccc12 760639746 GAJRMKYSWHHCFT-UHFFFAOYSA-N 433.205 4.024 5 20 IIBD C[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1nc(-c2ccc(Br)cc2)no1 760831502 ZIYFFWUTFIHYQT-SECBINFHSA-N 435.209 4.037 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(=O)Nc1ccc(N2CCCCC2)cc1 763721253 RSQPYZDAIOPFOU-CQSZACIVSA-N 431.876 4.423 5 20 IIBD Cc1cccc(NC(=O)[C@H](OC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C(C)C)c1C 763869938 MUTXNOPJBWCWAW-OAQYLSRUSA-N 436.468 4.217 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1 767146770 VTKHUDAOIMBMON-UHFFFAOYSA-N 444.316 4.246 5 20 IIBD O=C(C[C@@H]1CCCCCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cccs1 767860026 WAUQLPXBRDKKRN-ZDUSSCGKSA-N 426.491 4.002 5 20 IIBD Cc1csc(Sc2ccc(-c3nc(-c4ccc(C)n(C)c4=O)no3)cc2[N+](=O)[O-])n1 771250385 KHFBBGHFCPFAOT-UHFFFAOYSA-N 441.494 4.235 5 20 IIBD COc1ccc(-c2ccncc2)cc1/C=C1\N=C(c2ccc(OC)c([N+](=O)[O-])c2)OC1=O 773900631 MMYAAVDJNPLCCL-PDGQHHTCSA-N 431.404 4.019 5 20 IIBD COCCc1nc(C)c([C@@H](C)OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)s1 773923377 SOIHUCUJLZLFNI-MRXNPFEDSA-N 436.533 4.413 5 20 IIBD CSc1cccc(C(=O)O[C@H](C)C(=O)Nc2ccc(OC(F)F)cc2)c1[N+](=O)[O-] 777074256 SPEJSQZNDLSUAE-SNVBAGLBSA-N 426.397 4.102 5 20 IIBD C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F 777120869 CCJFTNDSLKRZAR-KPZWWZAWSA-N 445.825 4.005 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N(Cc1ccccc1)[C@@H](CO)C1CC1 779072084 JPKPSDVKMGZPHI-SFHVURJKSA-N 434.290 4.162 5 20 IIBD C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 780926380 SGNAGCHIBJUMEW-GTJPDFRWSA-N 440.421 4.341 5 20 IIBD CC(=O)c1cc(Br)cc(F)c1OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 783923930 DAJVEVUVYLYKML-UHFFFAOYSA-N 445.628 4.370 5 20 IIBD CC(C)c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1[N+](=O)[O-] 784255773 DINNOQWGIGLDOC-LLVKDONJSA-N 435.820 4.464 5 20 IIBD Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 787453626 NWUIZHQXWKZJHU-IYBDPMFKSA-N 439.512 4.489 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCc2c(F)cc(Br)cc2C1 790562473 YCCORCRZWGUHKA-UHFFFAOYSA-N 445.647 4.416 5 20 IIBD CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 791143307 SNNSVZPSBYNDKL-FUHWJXTLSA-N 447.677 4.353 5 20 IIBD Cc1c(Br)cccc1CC(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 791511830 KKTMNEQAUZWYNM-UHFFFAOYSA-N 432.230 4.002 5 20 IIBD C[C@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1ccc(N2CCCNC2=O)cc1 794928795 IJWJTRBJUAHMDN-INIZCTEOSA-N 445.479 4.068 5 20 IIBD Cc1cc(C)cc(OCc2noc(COC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])n2)c1 796442066 CGSQSGZDYVZLIC-UHFFFAOYSA-N 425.441 4.195 5 20 IIBD COc1ccc([C@@H]2[C@@H](COC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])CCC(=O)N2C)cc1 796911855 LJNPLPOZNLURNF-VGOFRKELSA-N 440.496 4.034 5 20 IIBD C[C@H](C(=O)O[C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1)[C@H]1OCCc2sccc21 797146261 GNBRRWKJYLFPSO-ZQGRQUNCSA-N 434.489 4.258 5 20 IIBD CC(C)(C(=O)OCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1ccccc1[N+](=O)[O-] 797246314 BMPREBYFZXOBSP-UHFFFAOYSA-N 445.415 4.038 5 20 IIBD CCc1ccnc(CNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 798064679 AWABIHRZWWDQQF-UHFFFAOYSA-N 438.871 4.388 5 20 IIBD CC(C)(C)OC(=O)NCC[C@H]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 799787426 LOFMCRAERCMNLS-OAHLLOKOSA-N 437.512 4.165 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)OCC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)c1F 803460414 AGXFHPVJVVEVDX-UHFFFAOYSA-N 429.231 4.165 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])Nc1cc(C(F)(F)F)cc(Br)n1 806799904 CIWDPUAPWMJRCY-UHFFFAOYSA-N 433.184 4.135 5 20 IIBD Cc1ccc([C@H](C)NCc2cc(I)cc([N+](=O)[O-])c2)cc1[N+](=O)[O-] 809972441 IHZOYFMSIPAHEG-NSHDSACASA-N 441.225 4.267 5 20 IIBD C[C@@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1ccc(N2CCCOC2=O)cc1 814264042 VEERGVXUYMCOQL-OAHLLOKOSA-N 449.467 4.079 5 20 IIBD CCOc1ccc([C@H]2CCCN2C(=O)CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 917074726 LPNXVLUNSWDANR-OAQYLSRUSA-N 431.920 4.442 5 20 IIBD C[C@@H](c1cccc(Cl)c1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 917922912 FOHJKBQEYDFPRR-JTQLQIEISA-N 433.711 4.392 5 20 IIBD Cc1ccc(N(C)C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1C 918659800 YKVMMXGPHJYPFK-UHFFFAOYSA-N 439.493 4.289 5 20 IIBD C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)COC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 918874627 GLEYWWUPNVYWBL-QWHCGFSZSA-N 438.452 4.116 5 20 IIBD C[C@@H](OC(=O)c1scnc1Cl)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 919416269 VWSPYSMRLQNGCM-MRVPVSSYSA-N 438.874 4.012 5 20 IIBD COc1cc(C(=O)Oc2ccc3ccncc3c2)c([N+](=O)[O-])cc1OCc1cscn1 919978351 QBIHCDCHVKKSIZ-UHFFFAOYSA-N 437.433 4.406 5 20 IIBD O=C(NCc1nc(Cc2ccccc2)no1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 921035903 AJNJUSCBKSEHSI-UHFFFAOYSA-N 429.436 4.242 5 20 IIBD Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2=O)cc1 929086473 KCQQKYGRHKZNRJ-LICLKQGHSA-N 445.884 4.023 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@H](Cc3nccn3C)C2)cc1OC 1319989281 ROROOXBQCFFCQD-ZWKOTPCHSA-N 430.549 4.217 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(Cn1nc3c(Cl)cc(C(F)(F)F)cn3c1=S)C2 1322140955 MNYUKLYIMKSREI-UHFFFAOYSA-N 429.811 4.419 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(-c3ccc([N+](=O)[O-])c4cccnc34)o2)C1 1322440642 VTXZPHHJBVERHN-CYBMUJFWSA-N 425.445 4.308 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)N(CC(F)(F)F)c2ccc(Cl)cc2)c1 1323355998 VYUCEBHYFQNYGW-UHFFFAOYSA-N 430.766 4.309 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)OCC(=O)N(CC(F)(F)F)c1ccc(Cl)cc1 1324574401 IVAUBGYWRYLNKW-UHFFFAOYSA-N 446.765 4.009 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCCN(C(=O)CCOc3ccccc3[N+](=O)[O-])C2)CC1 1325982882 FWNHUOOLQPBEAJ-UHFFFAOYSA-N 447.532 4.003 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCC(c3nc(-c4ccccn4)no3)CC2)c(Br)c1 1342930230 BLSAHUMSFPUXAV-UHFFFAOYSA-N 444.289 4.182 5 20 IIBD COc1ccc(NC(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)c([N+](=O)[O-])c1 1349872625 DFLUCNFYSQQBIB-LJQANCHMSA-N 427.482 4.433 5 20 IIBD Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cccn4C)CCC3)cc2)cc1[N+](=O)[O-] 1790526292 NMLYZROVWVLQMT-UHFFFAOYSA-N 446.507 4.232 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])[nH]4)CCC3)cc2)c(F)c1 1790606299 DQAVLBTZTOAPOD-UHFFFAOYSA-N 436.443 4.432 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(C(C)C)CCC1 1803410609 FDYMAPVXKCXSIO-BJWYYQGGSA-N 431.508 4.120 5 20 IIBD Cc1ccoc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1827740796 AMVOKRYVJXHCFE-HXUWFJFHSA-N 443.475 4.182 5 20 IIBD O=C(/C=C/c1ccccc1)N1CC2(CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 1845738586 BGWNOQRHBWOVFV-JXMROGBWSA-N 447.516 4.340 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C=C/c2ccc([N+](=O)[O-])o2)s1 1847652102 PCMJKVFQIISAEU-FXEMMDDYSA-N 443.525 4.076 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(OCC(=O)c2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 8776608 BJFKAPVHFXUOOJ-UHFFFAOYSA-N 448.541 4.185 5 20 IIBD Cc1ccc([C@H](C)NC(=O)COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1C 10723012 LQPHYMUMLXRTQJ-IBGZPJMESA-N 442.515 4.192 5 20 IIBD C[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)Nc1c(F)cccc1F 10723333 QOUCHSDOFCQJKU-AWEZNQCLSA-N 436.414 4.003 5 20 IIBD Cc1cc(C(=O)NCC(=O)OCc2csc(-c3ccc(Cl)cc3)n2)ccc1[N+](=O)[O-] 12512724 MVWFXALRZAFZBL-UHFFFAOYSA-N 445.884 4.153 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 15410432 WVTFXKJPLCEEJF-UHFFFAOYSA-N 445.541 4.066 5 20 IIBD COc1ccc(CNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC 15700602 XPIDWDVCVPNANB-UHFFFAOYSA-N 430.404 4.039 5 20 IIBD CCNc1ccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1[N+](=O)[O-] 16237415 HGKNLQGCPOAKHC-UHFFFAOYSA-N 437.525 4.294 5 20 IIBD C[C@H](OC(=O)CSc1ncnc2sccc12)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 17714667 BQKBEAKCFDHXIU-JTQLQIEISA-N 443.466 4.046 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cnc2ccccc2c1C(F)(F)F 25986107 XAPUWVBCBPXYMG-UHFFFAOYSA-N 434.326 4.385 5 20 IIBD NC(=O)c1ccc(SCC(=O)OCc2sc3ccccc3c2Cl)c([N+](=O)[O-])c1 26887595 PONIIHUXYSEPNE-UHFFFAOYSA-N 436.898 4.397 5 20 IIBD COc1cc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc(OC)c1OC 27389400 NHSDQYXSQAHHEP-HUUCEWRRSA-N 443.500 4.355 5 20 IIBD COc1ccc(NC(=O)COC(=O)Cc2coc3ccc4ccccc4c23)c([N+](=O)[O-])c1 28918323 UFMHFVMPQKMECD-UHFFFAOYSA-N 434.404 4.227 5 20 IIBD C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C2CC2)o1 31740144 NSIVOZXZEYGORL-RDTXWAMCSA-N 439.468 4.191 5 20 IIBD COc1cc(C(=O)NCCCN2CCCC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 61239053 MEDVDLASVGEEEI-UHFFFAOYSA-N 433.892 4.265 5 20 IIBD CC(C)N(C)S(=O)(=O)c1ccc(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 63248687 XJIGBDMIPIAILL-UHFFFAOYSA-N 431.436 4.255 5 20 IIBD CC(C)N(C)CC1CCN(C(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 64738516 PKRHJUFAQDYVNC-KDURUIRLSA-N 430.593 4.270 5 20 IIBD C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 65059156 MSPABCOXRLLCQW-ZDUSSCGKSA-N 443.301 4.119 5 20 IIBD C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1nnc2n1CCC2 237420771 DZDCUOYQKZNEFU-LLVKDONJSA-N 432.278 4.006 5 20 IIBD COc1ccc(-n2c(Sc3ncc([N+](=O)[O-])cn3)nnc2-c2ccccc2Cl)cc1 302162639 PYAPFDWCFKHARF-UHFFFAOYSA-N 440.872 4.446 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc(N2CCc3sccc3C2)cc1 302648853 MQCPURSQRKUDJF-UHFFFAOYSA-N 429.523 4.366 5 20 IIBD Cc1nn(CCC(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)c(C)c1[N+](=O)[O-] 410041939 MWYNMSGOBCQDQU-HSZRJFAPSA-N 434.496 4.029 5 20 IIBD O=C(NC[C@@H](Cc1ccccc1)c1ccccc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 426041387 DXXIIQBBQKATOG-OAQYLSRUSA-N 433.512 4.164 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1cc(F)c(Cl)cc1N1CCOCC1 426660705 ARDAWKYNMQNQLC-UHFFFAOYSA-N 436.871 4.055 5 20 IIBD COC(=O)[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(OC)c(Cl)c1 428371680 GPVFPNGRJXCZFJ-SFHVURJKSA-N 447.900 4.384 5 20 IIBD COc1ccc(Br)cc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 429858251 FFTIXGJHLIOQSV-UHFFFAOYSA-N 430.052 4.381 5 20 IIBD C[C@H](c1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1)N1CCOCC1 432687340 ZTNHVQWTYPPEEK-CYBMUJFWSA-N 434.290 4.003 5 20 IIBD Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 435769704 LULJFQPZTFZXIK-UHFFFAOYSA-N 433.917 4.225 5 20 IIBD CC(C)C(=O)Nc1ccc(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc1 435938035 QFCSZNRHUGMKIM-UHFFFAOYSA-N 449.457 4.484 5 20 IIBD CCN(Cc1cccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1)C(C)=O 436090724 RYTJQZCNKYNIPS-UHFFFAOYSA-N 431.467 4.441 5 20 IIBD C[C@H](NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1O)c1cccc([N+](=O)[O-])c1 436687129 QLTFRXFHWXNJDL-LBPRGKRZSA-N 441.390 4.322 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2nc3cc(F)ccc3n2C)cc1[N+](=O)[O-])c1ccccn1 437153368 JGLVNWPDWYRBHP-ZDUSSCGKSA-N 434.431 4.441 5 20 IIBD CC(C)c1ccc(C(=O)N2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1[N+](=O)[O-] 439137884 UHVMHOPGPKGMKJ-QFIPXVFZSA-N 437.496 4.139 5 20 IIBD CCCCOC1CCN(c2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])CC1 439358479 ZAUCWQHHOUUGFI-UHFFFAOYSA-N 433.530 4.181 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H](C)c1cccc(C(F)(F)F)c1 439699117 OMAJICKQPFYKRD-LBPRGKRZSA-N 439.390 4.170 5 20 IIBD C[C@H](NC(=O)CN(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(Br)cc1 441227308 GAGRLQVFCNJLGL-AWEZNQCLSA-N 432.318 4.199 5 20 IIBD O=C(CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)N(Cc1ccccc1)Cc1ccco1 441814093 ORHJWFDYAFMAJY-UHFFFAOYSA-N 449.507 4.260 5 20 IIBD CC[C@@H](c1ccc(F)cc1F)N1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 444214540 RQDPCUSCJYMHDF-FQEVSTJZSA-N 443.454 4.192 5 20 IIBD C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 444228990 WULSERTVKSWUIZ-BDJLRTHQSA-N 431.297 4.052 5 20 IIBD COCC[C@@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccc(C)o1 444291440 QEYNGVGOTLGTNK-LJQANCHMSA-N 426.419 4.369 5 20 IIBD CCOC1CC(O)(CNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 444611651 GJWMTYWFALMXRS-UHFFFAOYSA-N 436.917 4.059 5 20 IIBD CC[C@@H](C)NC(=O)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c(C)c1 445919589 LBTUDZHKCIZZDP-CYBMUJFWSA-N 448.317 4.375 5 20 IIBD CN(c1ccccc1)C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 445944212 NGGDAWIQBDSCQS-UHFFFAOYSA-N 432.318 4.027 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)NCc1cn(-c2ccccc2)nc1-c1ccncc1 446145372 LTABGGABTFSITR-UHFFFAOYSA-N 427.464 4.092 5 20 IIBD Cc1nc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])sc1Cc1ccc(F)c(F)c1F 446944131 OPAVQDWDXXZZSF-UHFFFAOYSA-N 443.428 4.169 5 20 IIBD CN(Cc1cccc2ccccc12)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 447030477 VGKJWIAHSFDVHG-UHFFFAOYSA-N 435.299 4.331 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)c(C(F)(F)F)c1 447039231 HSUXNSNBSCWIJI-RDTXWAMCSA-N 444.431 4.060 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CCOc4ccc(Cl)cc43)cc2)c(C)c1[N+](=O)[O-] 460618837 CLIXJGQZGVJYKI-UHFFFAOYSA-N 426.860 4.149 5 20 IIBD O=C(CCCCOc1ccc(Br)cc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 461387517 NMIUARJCILTIDP-UHFFFAOYSA-N 449.301 4.328 5 20 IIBD CO[C@@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1ccc(Cl)cc1 462894902 JHGDIDUOZKHFNK-KRWDZBQOSA-N 435.267 4.247 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc(Br)cc2c1OCC2 463260014 UBTYMNDTSFBQML-UHFFFAOYSA-N 448.317 4.412 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@@](CO)(c3ccccc3)C2)c([N+](=O)[O-])c1 463427547 CIBRDUPBDOSMCV-AOYPEHQESA-N 445.519 4.219 5 20 IIBD C[C@@H](CC(F)(F)F)NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 464270164 YYLOTSFQCDVKKM-JTQLQIEISA-N 427.345 4.287 5 20 IIBD C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464665130 RRINTSXJBYJOGY-CQSZACIVSA-N 438.402 4.451 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 466498881 HPIGTGVLLHRHTC-UHFFFAOYSA-N 437.374 4.391 5 20 IIBD Cc1sc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)cc1[N+](=O)[O-] 466977383 PPYPAZMBIMBBTL-UHFFFAOYSA-N 431.495 4.326 5 20 IIBD COc1cc(S(=O)(=O)N[C@H](C)c2sc(-c3ccccc3)nc2C)ccc1[N+](=O)[O-] 469197602 XVQYJHFAJZRNPA-CYBMUJFWSA-N 433.511 4.075 5 20 IIBD O=C(N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1cc2cc([N+](=O)[O-])ccc2s1 470234045 NKSBDMZPPDINFR-QGZVFWFLSA-N 445.447 4.009 5 20 IIBD CNC(=O)c1cc2cc(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)ccc2[nH]1 473583887 SSMPAIFMPHRBMB-UHFFFAOYSA-N 446.413 4.053 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3cnn([C@H](C)CC)c3C3CC3)CC2)ccc1[N+](=O)[O-] 477371288 HFSCKTJZIUYXKD-MRXNPFEDSA-N 441.532 4.001 5 20 IIBD CC[C@@H](C)n1ncc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1C1CC1 477567995 JQELZNCJLZIEGP-GFCCVEGCSA-N 441.517 4.172 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](CO)c1c(Cl)cccc1Cl 478488826 HHVFFRYWEPDEJH-TVQRCGJNSA-N 433.675 4.172 5 20 IIBD Cc1coc(-c2cc(NC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)ccc2C)n1 478516676 OZMLWUDRWSIDOV-UHFFFAOYSA-N 436.424 4.193 5 20 IIBD Cc1c(CNC(=O)[C@@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)cccc1[N+](=O)[O-] 481463438 HEBSEUPURFLEEY-DEOSSOPVSA-N 433.508 4.056 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C[C@H]1CO 481900749 DMUZRKRYRSILNU-OCCSQVGLSA-N 429.523 4.056 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(Cc2nc(O)c3ccccc3n2)C(C)C)cc1SC 481996085 BMOJADIYCZKJFK-UHFFFAOYSA-N 442.497 4.025 5 20 IIBD O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 482586689 ZKGVSIJIBXRQSI-NSHDSACASA-N 447.278 4.164 5 20 IIBD Cc1cc(Br)c(O)c(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 482673103 MLYRMQKLVFGNDL-UHFFFAOYSA-N 434.290 4.226 5 20 IIBD COC(=O)c1c(F)ccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1F 485161474 OXZJAKYYNZWMFC-BETUJISGSA-N 447.438 4.394 5 20 IIBD CCOc1cccc(-c2cccc(NS(=O)(=O)CCc3ccccc3[N+](=O)[O-])n2)c1 486007673 PPEHOIVCTMNJCV-UHFFFAOYSA-N 427.482 4.040 5 20 IIBD Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 486884915 ZWGATLWBKAJLKK-MRXNPFEDSA-N 449.511 4.143 5 20 IIBD C[C@H]1C[C@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCN1Cc1ccccc1 487831719 CURKVNOIUWGRIL-OXJNMPFZSA-N 430.936 4.143 5 20 IIBD CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 488002507 YJLGWFWSEZTEGW-KBXCAEBGSA-N 449.960 4.286 5 20 IIBD C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 488472480 YQBKBQFZMMXEDO-HYBUGGRVSA-N 439.559 4.182 5 20 IIBD CNS(=O)(=O)c1ccc(N[C@H](Cc2cccc(F)c2)c2cccc(F)c2)c([N+](=O)[O-])c1 489306209 RJLVHGIFSORSGU-HXUWFJFHSA-N 447.463 4.177 5 20 IIBD Cc1ccc(-n2cnc3c2CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C3)cc1 489406627 CSEFKJCLFVWYBM-UHFFFAOYSA-N 430.386 4.306 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(CC)Cc1ccc(Cl)c(Cl)c1 492183837 WAZGVNFZNBFPBO-HNNXBMFYSA-N 428.320 4.183 5 20 IIBD C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1cc(Cl)ccc1Cl 494014670 DDFYASIQRIXFQN-YGRLFVJLSA-N 442.324 4.445 5 20 IIBD CS(=O)(=O)c1cccc([C@@H](NCCc2cccc([N+](=O)[O-])c2)c2cc(F)ccc2F)c1 494986851 GNOYLJWZVWDBRN-JOCHJYFZSA-N 446.475 4.198 5 20 IIBD CC(=O)N[C@H](CC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)c1ccc(Br)cc1 498269670 ZNIOBROQKRBTDK-QGZVFWFLSA-N 434.290 4.180 5 20 IIBD CS(=O)(=O)c1cc(C(=O)Nc2ccc(OCC3CCCCC3)cc2)cc([N+](=O)[O-])c1 498415810 ZQSTVOMGILBVIY-UHFFFAOYSA-N 432.498 4.210 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl 503296415 AFCRTRIIGLMZBJ-ZDUSSCGKSA-N 428.659 4.297 5 20 IIBD Cc1ccc(-n2nc(C(C)C)cc2NC(=O)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 505020535 JZECIQNAQMIFRB-QGZVFWFLSA-N 449.511 4.337 5 20 IIBD Cc1cc(F)ccc1-n1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)nn1 505118989 GICWQBZXALGRKT-UHFFFAOYSA-N 438.444 4.307 5 20 IIBD Cc1ncsc1CCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(F)c(F)c1 505655753 AUWMAVNEBWXJCY-UHFFFAOYSA-N 439.465 4.076 5 20 IIBD COc1cc(C(=O)N[C@H](C)CCc2ccc(Br)cc2)c([N+](=O)[O-])cc1OC 507802860 FEADPQRZAVTQRF-GFCCVEGCSA-N 437.290 4.126 5 20 IIBD O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCCc2ccc([N+](=O)[O-])cc21 509985692 YUOUWWJELSGTJZ-UHFFFAOYSA-N 425.448 4.436 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CCC(C)(c3ccccc3)CC2)ccc1[N+](=O)[O-] 511178995 XPGNSCAPLKWXSA-JOCHJYFZSA-N 435.524 4.088 5 20 IIBD Cc1nc(C)n(-c2ccccc2NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)n1 511352477 GVKUPIWGYYSANN-UHFFFAOYSA-N 430.262 4.116 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@@](O)(C(F)(F)F)CC2)cc1OC 512566552 XTMFNXYOWCZRNM-LIRRHRJNSA-N 434.455 4.308 5 20 IIBD CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)s1 513081198 FNRKQOHBKTXNDC-CHWSQXEVSA-N 429.502 4.022 5 20 IIBD CCc1cccc(Cc2cnc(NC(=O)c3cc(OC)c(OC)cc3[N+](=O)[O-])s2)c1 514577915 ZZMBLVGZLHPVTG-UHFFFAOYSA-N 427.482 4.474 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)Cc3ccc4c(c3)OCCO4)cc2[N+](=O)[O-])C1 515321415 VUYHTTUMAANBOF-IAGOWNOFSA-N 439.512 4.121 5 20 IIBD CC(C)NC(=O)c1ccc(N2CCC(c3noc4cc(F)ccc34)CC2)c([N+](=O)[O-])c1 515931691 ROGXOFKRYOLBLH-UHFFFAOYSA-N 426.448 4.397 5 20 IIBD CCOC(=O)c1sc(N(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C2CC2)nc1C 518868148 REIMFBDVCKWPFS-GFCCVEGCSA-N 435.527 4.213 5 20 IIBD COc1cc([C@@H](C)N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(C)C 520970459 JOBBPMYNOFGZDF-OXQOHEQNSA-N 427.501 4.094 5 20 IIBD Cn1ccnc1Sc1ccc(F)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 521918305 ISNZPOOYOYAHHF-UHFFFAOYSA-N 442.881 4.073 5 20 IIBD C[C@@H](c1ccccc1)N1CCC(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 522580826 YLJHGQFVGXWNST-INIZCTEOSA-N 431.920 4.359 5 20 IIBD COC(=O)C[C@@H](C)Sc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] 523752302 SPIVMJNYOYRIJH-CQSZACIVSA-N 438.527 4.056 5 20 IIBD COc1ccc(OC2CCN(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)CC2)cc1 525355632 ZXAMBUQOZRMCBB-UHFFFAOYSA-N 427.501 4.179 5 20 IIBD C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 533057776 OGXWSLGDLVFKOM-PKOBYXMFSA-N 431.496 4.170 5 20 IIBD COc1cc(C(=O)N2CCC[C@H]([C@H](C)O)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 533474013 PIFHJZILLSQWJZ-ZFWWWQNUSA-N 434.876 4.282 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H](CO)c1ccc(C(F)(F)F)cc1 534778628 ZRUYOXLOUGLCDV-CYBMUJFWSA-N 435.305 4.070 5 20 IIBD CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C1 536721526 GGMROMVJCUAMMZ-INIZCTEOSA-N 443.466 4.173 5 20 IIBD C[C@H](C(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])cc1F 541592011 BNKMBHVZZSDWDK-TVSHIAKJSA-N 437.874 4.439 5 20 IIBD CC(=O)N(CCc1noc(-c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1)C(C)C 545071579 PPHNASTYPFGVQJ-HNNXBMFYSA-N 438.488 4.012 5 20 IIBD COc1ccc(COCCCc2noc(-c3cc(O)nc4ccc([N+](=O)[O-])cc34)n2)cc1 545833865 BKCBJRKIBWCCSW-UHFFFAOYSA-N 436.424 4.057 5 20 IIBD CCn1ncc2c(-c3nc(-c4ccc(N)c([N+](=O)[O-])c4)no3)cc(-c3ccccc3)nc21 546260547 PLICPIJCVIIBBX-UHFFFAOYSA-N 427.424 4.326 5 20 IIBD CC(C)(C(=O)NC[C@@H](NCc1ccccc1)c1ccco1)c1ccc([N+](=O)[O-])cc1F 552871005 YERCOGGXZHVHFY-HXUWFJFHSA-N 425.460 4.252 5 20 IIBD COc1ccccc1-c1csc([C@H]2CCCN(c3cccc(C(N)=O)c3[N+](=O)[O-])C2)n1 553230965 LCTAPYPMKLZZEG-AWEZNQCLSA-N 438.509 4.210 5 20 IIBD COc1ccc(CN[C@H](CO)c2ccc(F)cc2)cc1OCc1ccc([N+](=O)[O-])cc1 553801437 VZABHSQJOSHVLX-OAQYLSRUSA-N 426.444 4.145 5 20 IIBD COc1cc(CCNC(=O)N2CCC[C@H](Cc3ccc(C)cc3)C2)c([N+](=O)[O-])cc1OC 563862830 LLBZLQODRKUNHQ-LJQANCHMSA-N 441.528 4.127 5 20 IIBD C[C@H]1c2c(F)cccc2CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 564633658 RWBIOAVMJDFCBZ-JKSUJKDBSA-N 437.475 4.153 5 20 IIBD COc1ccc(-c2nc(C)c(C(=O)N(C)CCc3ccccc3[N+](=O)[O-])s2)cc1OC 569391958 NPTKQOGKHKEXPT-UHFFFAOYSA-N 441.509 4.359 5 20 IIBD O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1cccc(-n2cc(C(F)(F)F)cn2)c1 575832930 OMSSDUBCJLGRTP-UHFFFAOYSA-N 426.301 4.259 5 20 IIBD CSc1ccccc1NC(=O)[C@@H](C)SCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 584492160 STFJNUUPLXNJDJ-CYBMUJFWSA-N 447.538 4.375 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CNCc2ccccc2Br)c1 584867797 JZRXZXNBWDMHRL-UHFFFAOYSA-N 447.070 4.252 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1ccc(NC(=O)C2CC2)cc1 589250986 MWCGSPFOFGGLFV-UHFFFAOYSA-N 429.432 4.427 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CSc2nccc(C(F)(F)F)n2)c1 589255527 CWUORSFUCJAPEU-UHFFFAOYSA-N 441.172 4.301 5 20 IIBD CCOc1ccc([C@H](NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)c2ccccc2)cc1 603613179 VCTZVJBHAQQLCV-JOCHJYFZSA-N 434.448 4.300 5 20 IIBD COc1cc(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)ccc1NC(C)=O 603775047 JNOASXCDJKQEEF-GASCZTMLSA-N 440.500 4.296 5 20 IIBD O=[N+]([O-])c1ccc(OCCCSc2nnc(-c3cccnc3)n2Cc2ccco2)cc1 603947272 FHYBHWJNQFCGLX-UHFFFAOYSA-N 437.481 4.451 5 20 IIBD Cc1ccc(C(=O)Nc2cccc(CNC(=O)CCNc3ccccc3[N+](=O)[O-])c2)cc1 604002290 WCRSBCCFPICKAG-UHFFFAOYSA-N 432.480 4.274 5 20 IIBD Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 608819433 ZYJQVLFWXGJIOP-HNNXBMFYSA-N 428.920 4.387 5 20 IIBD Cc1[nH]nc(C(=O)Nc2nc3ccccc3n2Cc2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] 609077725 SSJFCILSMFENMO-UHFFFAOYSA-N 444.373 4.295 5 20 IIBD COC(=O)CC[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 609263452 WYJCNCOWDLVZFJ-KRWDZBQOSA-N 425.466 4.143 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1NC(=O)C[C@H]1C=CCC1 609323077 SDRJGRFIVQIPMG-HNNXBMFYSA-N 429.498 4.253 5 20 IIBD CCCOc1cc(NC(=O)N2CCC[C@@H]2[C@H](O)C(F)(F)F)c([N+](=O)[O-])cc1OCCC 609842665 AXKXPMZTCRYJPK-DYVFJYSZSA-N 449.426 4.092 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1Br)Nc1ccc2c(c1)OC1(CCCC1)O2 609962727 SKCYLAVFAIRVSZ-UHFFFAOYSA-N 449.257 4.416 5 20 IIBD Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)CCn1cc([N+](=O)[O-])nc1C 610154701 MKCSKUXYLCHXLD-UHFFFAOYSA-N 436.447 4.130 5 20 IIBD CCOc1cc(NC(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)c([N+](=O)[O-])cc1OCC 610318051 MCZWDYYAVZRYNV-GOSISDBHSA-N 442.516 4.130 5 20 IIBD C[C@@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1)S(=O)(=O)c1ccc(F)cc1 610389438 AFWZNUYQJYWBBZ-INIZCTEOSA-N 442.468 4.130 5 20 IIBD O=C(c1ccc(Oc2ccccc2Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 610465938 SWGZCCQHNDVJJJ-UHFFFAOYSA-N 438.871 4.398 5 20 IIBD Cc1cc(-n2cccn2)ccc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 616041067 HLKPWUJNEATCQF-UHFFFAOYSA-N 427.269 4.197 5 20 IIBD COc1cnccc1CNc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] 619570151 NUMBCGRUBBKAJC-UHFFFAOYSA-N 442.497 4.028 5 20 IIBD COc1cc(C(=O)OCC(=O)Nc2ccccc2Oc2ccc(C)cc2)ccc1[N+](=O)[O-] 725944679 AHTCDGSRLGRNQF-UHFFFAOYSA-N 436.420 4.500 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Oc2ccc(NC(=O)c3ccsc3)cc2)c1C 728936763 YUUFREVPFDUYQZ-UHFFFAOYSA-N 432.479 4.293 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)C[C@@H](c1ccccc1)N1CCOC1=O 729118703 CNQDWEPSQLZVAJ-IBGZPJMESA-N 428.441 4.009 5 20 IIBD CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 729170836 SCHZXOIMHPQJCU-UHFFFAOYSA-N 439.921 4.311 5 20 IIBD C[C@@H](OC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 729779921 SCNDZDJUMMXLQL-MRXNPFEDSA-N 447.447 4.055 5 20 IIBD O=C(Nc1nnc(Cc2ccc(F)cc2)s1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 730194309 LENOXIMSXFBJOI-UHFFFAOYSA-N 441.488 4.419 5 20 IIBD O=C(O[C@@H](Cc1ccc(Cl)cc1)C(F)(F)F)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 733946516 AHXLLIOPFLOMDY-INIZCTEOSA-N 440.765 4.159 5 20 IIBD CN1C(=O)CC[C@@H](C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)[C@H]1c1ccc(C(F)(F)F)cc1 734389113 NTBDFQPXFWZJRZ-RDTXWAMCSA-N 439.365 4.301 5 20 IIBD CC(C)[C@H](OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCOc2ccccc21 736865421 AMNOUAWZLVRVTM-MJGOQNOKSA-N 432.860 4.070 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@H](C)Oc3ccc4c(c3)CCC4)CC2)ccc1[N+](=O)[O-] 739380278 LQQLOXCGFLWTAQ-INIZCTEOSA-N 440.496 4.072 5 20 IIBD COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NCCCCc1ccc([N+](=O)[O-])cc1 739973090 PTMZQYWOHVEWBR-UHFFFAOYSA-N 449.916 4.106 5 20 IIBD C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 741438994 DRCVFJBJKOEPTO-LLVKDONJSA-N 426.853 4.191 5 20 IIBD CN(C(=O)c1ccccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1F 742222035 LRTBBUWYNBYXPQ-UHFFFAOYSA-N 438.371 4.171 5 20 IIBD CCC[C@@]1(C)CCCN(C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 742969022 LUUQFAKCNIHUEU-QFIPXVFZSA-N 446.525 4.405 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)NCc1ccc(Cl)cc1 747124588 OBTYLXSCOYOFJR-SNVBAGLBSA-N 430.766 4.129 5 20 IIBD COC(=O)c1cccc(-c2nc(COC(=O)Cc3cccc([N+](=O)[O-])c3C)cs2)c1 748466935 IHVYOAHJPBGVHB-UHFFFAOYSA-N 426.450 4.099 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2cc(F)c(O)c(F)c2)c2ccccc2)c([N+](=O)[O-])c1 748481366 GYWWJRQWARDXSA-HXUWFJFHSA-N 442.374 4.424 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)Oc1ccc(-c2nc3ccccc3s2)cc1Cl 748608232 RHWGXMUBTBYFLD-UHFFFAOYSA-N 441.852 4.292 5 20 IIBD CCOc1ccccc1Oc1ccccc1C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-] 748913918 RMHVWOHYVGILBI-UHFFFAOYSA-N 436.420 4.242 5 20 IIBD CC(C)Oc1ccccc1CC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 748952659 QZOOHYOJRBVUDH-UHFFFAOYSA-N 440.374 4.125 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OCc2ccc(-n3ccnc3)nc2)cc1 750333071 YFASPAGWXDFUEA-UHFFFAOYSA-N 446.419 4.333 5 20 IIBD O=C(OCc1cc(F)ccc1[N+](=O)[O-])[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 751110871 PLXGLTUFAHRWIM-LJQANCHMSA-N 426.366 4.232 5 20 IIBD Cc1ccc2c(COC(=O)c3cc([N+](=O)[O-])c(Br)cc3F)cc(=O)oc2c1 751693374 ZDMGYWNPKRRWOB-UHFFFAOYSA-N 436.189 4.268 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@H](C)C[C@@H](O)c3cccs3)cc2[N+](=O)[O-])C1 752272888 FQBFNSORDLNMHS-UIVXKWKOSA-N 431.558 4.381 5 20 IIBD C[C@@H](OC(=O)/C=C\c1cccc(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 754225319 UIUYPRRXWJBKAG-UIJKISKDSA-N 426.322 4.336 5 20 IIBD Cc1ccc(-c2nc(CNC(=O)c3cc(F)cc([N+](=O)[O-])c3Br)co2)cc1 755020363 FNJBICBRCZVDLR-UHFFFAOYSA-N 434.221 4.390 5 20 IIBD CNc1ccc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2cccc(OC)c2)cc1[N+](=O)[O-] 755206470 LYTLXBAJZCBTRO-HSZRJFAPSA-N 435.480 4.021 5 20 IIBD C[C@H](OC(=O)CCC(=O)c1cc(Cl)sc1Cl)C(=O)Nc1ccccc1[N+](=O)[O-] 756607957 GOKXRDNRBVYRJC-VIFPVBQESA-N 445.280 4.496 5 20 IIBD COC(=O)CCSc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)c1 756692640 VDFMVGBKKIUNBR-UHFFFAOYSA-N 439.287 4.265 5 20 IIBD O=C(Nc1nc(-c2ccc(F)cc2)ns1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 758081286 QFUHFGZSUXLVQH-UHFFFAOYSA-N 443.460 4.328 5 20 IIBD O=C(COC(=O)c1cncc(-c2ccccc2)c1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 758111873 ZVNMKPDAWZCGLL-UHFFFAOYSA-N 445.353 4.471 5 20 IIBD CC(C)OCc1ccc(NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 760345020 QNPNRIFURVJJCA-UHFFFAOYSA-N 429.292 4.083 5 20 IIBD Cc1ccc(C)n1-c1nc(CC(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cs1 760496845 FXXGEEZFSKAYEW-UHFFFAOYSA-N 438.465 4.400 5 20 IIBD COc1ccccc1[C@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C 761583506 HOGNMNXSYVESIO-KXBFYZLASA-N 443.500 4.089 5 20 IIBD O=C(NCc1nc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)no1)OCC(F)(F)F 761858200 MDACODYMADHBDI-UHFFFAOYSA-N 438.318 4.226 5 20 IIBD CN1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@H]1c1ccc(Cl)c(F)c1 762724763 CKFPXBNBXWZTIF-KPZWWZAWSA-N 426.275 4.464 5 20 IIBD CNC(=O)c1cc(Oc2cccc(OC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2)ccn1 766700514 ZWVAHPJZQYKSNX-UHFFFAOYSA-N 427.800 4.014 5 20 IIBD CC(C)(C)c1ccc(N2CCC(NS(=O)(=O)CCc3ccccc3[N+](=O)[O-])CC2)cc1 766782905 MYDYYYCTCLVEDM-UHFFFAOYSA-N 445.585 4.023 5 20 IIBD C[C@@]1(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CCCN(C(=O)c2ccccc2)C1 770330449 LIFLFIGGVUIRKJ-HXUWFJFHSA-N 446.301 4.238 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC(CO)(Cc2ccccc2)CC1 770624874 LYSOOVFPZHGCRX-UHFFFAOYSA-N 448.317 4.206 5 20 IIBD O=C(CC1(CSc2ccccc2)CC1)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 770841031 HRYBNCQFMJMGGF-UHFFFAOYSA-N 440.930 4.016 5 20 IIBD CCn1c(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)nc2ccc(Br)cc21 770903123 QKYZEFZSWSHJMS-UHFFFAOYSA-N 448.233 4.196 5 20 IIBD Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 771468398 KARYFIKILGEZDG-RYGYDFEPSA-N 431.496 4.199 5 20 IIBD O=C(Nc1ccccc1-c1n[nH]c(-c2ccccc2)n1)c1cc([N+](=O)[O-])c2nsnc2c1 771503653 ONTLELUUWYLSBA-UHFFFAOYSA-N 443.448 4.304 5 20 IIBD O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 774930186 GZMNVWUFBOSIPW-CQSZACIVSA-N 447.835 4.038 5 20 IIBD COc1ccc(-n2c(SC[C@@H](O)c3ccc([N+](=O)[O-])cc3)nnc2-c2ccccn2)cc1 776278495 UAIBJPDWLRPTKC-HXUWFJFHSA-N 449.492 4.072 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC[C@H](Cn2cnc3ccccc32)C1 776550255 JVTWLEHTPPALTJ-SFHVURJKSA-N 433.512 4.097 5 20 IIBD CC(C)(C)OC(=O)NCc1ccc(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 777650399 ISPJODPFEDLISC-UHFFFAOYSA-N 441.893 4.074 5 20 IIBD O=C(COC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)NCCC1=CCCCC1 781256552 MUKMKMRFRLLTCX-UHFFFAOYSA-N 440.446 4.123 5 20 IIBD Cc1ccc(NC(=O)COC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1C 781256593 OGTANJFWDNMUDA-UHFFFAOYSA-N 436.414 4.372 5 20 IIBD CCO[C@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)OCc2cccc([N+](=O)[O-])c2C)C1(C)C 781429486 REXLGQDXOJZAKV-HTAPYJJXSA-N 436.505 4.045 5 20 IIBD O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N(Cc1ccco1)c1ccc(F)cc1F 781626662 UAZYXIURAFUVBQ-FQEVSTJZSA-N 427.363 4.192 5 20 IIBD O=C(COC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccccc1-c1ccccc1 781737798 PCFULRSTZYSXTQ-UHFFFAOYSA-N 449.419 4.285 5 20 IIBD CC(C)n1c([C@@H]2CCCN2C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)nc2ccccc21 781997177 XJOURNMVCQHTRD-FCHUYYIVSA-N 447.495 4.382 5 20 IIBD CCOc1cc(C(=O)O[C@@H](c2ccncc2)c2cccc(OC)c2)c([N+](=O)[O-])cc1OC 782451082 ZNIPPZZLENIHCR-QFIPXVFZSA-N 438.436 4.352 5 20 IIBD O=C(Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])c1cc2c(cc1[N+](=O)[O-])OCO2 782849021 HTRIVGKNZILXRO-UHFFFAOYSA-N 437.364 4.063 5 20 IIBD Cc1oc2cc(OC[C@@H](O)COc3ccccc3[N+](=O)[O-])ccc2c(=O)c1-c1ccccc1 783914734 DHZVZKWJPMWZED-GOSISDBHSA-N 447.443 4.495 5 20 IIBD CSc1ccc(C)c(NC(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2Br)c1 785090114 NHCKQNUYTVONFT-UHFFFAOYSA-N 438.303 4.273 5 20 IIBD O=C(Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1)c1cncc(Cl)n1 790113312 SJDCFLJRKOJIGY-UHFFFAOYSA-N 433.207 4.163 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)cc1SC 791030807 XKXUCIUQZKEDGC-ZDUSSCGKSA-N 445.497 4.115 5 20 IIBD CN(Cc1ccccc1)C(=O)c1ccccc1C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 791519446 IHASFUPXNXQFLU-UHFFFAOYSA-N 449.419 4.132 5 20 IIBD CC(C)(C)c1cc(NC(=O)COC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)n(-c2ccccc2)n1 798129045 MGZVEXVRSIMTER-KAMYIIQDSA-N 448.479 4.273 5 20 IIBD O=C(NCc1ccncc1OCc1ccccc1)c1cc([N+](=O)[O-])ccc1Br 803396598 DSTSBMRQOBUDJY-UHFFFAOYSA-N 442.269 4.261 5 20 IIBD O=C(COC(=O)c1ccc(C(F)(F)F)s1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 803866009 YDUDTBJSTBQJLQ-UHFFFAOYSA-N 442.293 4.489 5 20 IIBD O=C(Nc1ccccc1)c1cccc(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 803910255 XOWAVHWXJUQUMY-UHFFFAOYSA-N 444.403 4.254 5 20 IIBD Cc1cccn(Cc2c(F)cccc2NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1=O 809784033 CNXZGMFXBYXQAD-UHFFFAOYSA-N 436.487 4.333 5 20 IIBD Cc1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)c(Br)n1 809831935 JQUPIQHVUZLOBJ-UHFFFAOYSA-N 442.074 4.135 5 20 IIBD CC(C)c1ccc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nc1 811262012 BSFBYDLIBPNNGR-CYBMUJFWSA-N 440.481 4.421 5 20 IIBD CCc1ccc([C@@H](C)NC(=O)[C@H](C)OC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 853790418 DSOIMVFNMKJZJJ-OLZOCXBDSA-N 449.301 4.342 5 20 IIBD O=C(NCc1nc(-c2ccc(OCc3ccccc3)cc2)no1)c1cccc([N+](=O)[O-])c1 904423140 BGRTXHUSTAPPSM-UHFFFAOYSA-N 430.420 4.154 5 20 IIBD CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 913125199 JUEJRMSGMUBERV-LBPRGKRZSA-N 440.258 4.052 5 20 IIBD COc1ccc2cc(CN(C)C(=O)COC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)ccc2c1 917332047 XVKGJSIEVUGGJP-UHFFFAOYSA-N 447.447 4.053 5 20 IIBD CNC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 917399016 ORGBVOAGERHCLK-UHFFFAOYSA-N 430.892 4.096 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)cc1[N+](=O)[O-] 917756869 RYHGDHXBYPPXHG-HNNXBMFYSA-N 436.424 4.276 5 20 IIBD COC(=O)c1ccc(OCC(=O)c2cc(C)n(Cc3ccc(F)cc3)c2C)c([N+](=O)[O-])c1 918045566 FORZHCXXMJBDJH-UHFFFAOYSA-N 440.427 4.249 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)c1cc2ccsc2[nH]1)c1cccc([N+](=O)[O-])c1 918634421 RXYGEDCNIVIDPM-MRXNPFEDSA-N 427.482 4.379 5 20 IIBD CC(C)[C@H](OC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1F 920776944 CAEHAOGATSYLSS-SGTLLEGYSA-N 438.839 4.361 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2 921284030 JVKCAGTVGOBLNX-HNNXBMFYSA-N 433.493 4.312 5 20 IIBD COc1ccc(NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1-n1cnnn1 1116316114 IKDZZWDKOAZYSZ-UHFFFAOYSA-N 426.820 4.105 5 20 IIBD CCCCN(Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@@H]1CCS(=O)(=O)C1 1116439242 OWNQRMWZMCSZLR-OAHLLOKOSA-N 426.922 4.297 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1N1CCN(C)CC1 1116492688 FTHRPDUWDHMIAG-UHFFFAOYSA-N 442.585 4.169 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CCOc1cc(Cl)ccc1Cl 1321917224 IEMOPJCGOPPHCV-UHFFFAOYSA-N 427.240 4.161 5 20 IIBD O=C(NCCc1ccc(N2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1Br 1322014103 VOSSBQVUSVWXTI-UHFFFAOYSA-N 432.318 4.320 5 20 IIBD COC(=O)c1ccoc1CSc1ccccc1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 1322112773 YGQPVXGUXQJCPI-UHFFFAOYSA-N 438.461 4.423 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(NC2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)s1 1324071691 IDEYUYFDAVPZKH-ALOPSCKCSA-N 435.571 4.057 5 20 IIBD CC(C)[C@@]1(CO)CCN([C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C1 1329943876 BPZBYMQWRPVOGQ-UNMCSNQZSA-N 431.920 4.268 5 20 IIBD COc1ccnc(CSCc2cc(I)cc([N+](=O)[O-])c2)c1OC 1347395895 PMPHSCPSXBMJSS-UHFFFAOYSA-N 446.266 4.045 5 20 IIBD C[C@@H]1CCCN(C(=O)CCNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 1520999876 KLCGZCDSPBVPKX-MRXNPFEDSA-N 427.526 4.124 5 20 IIBD Cc1ccnc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccc([N+](=O)[O-])o4)CCC3)cc2)c1 1788709003 SDSDATJGPYUOGU-VQHVLOKHSA-N 446.463 4.352 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccncc3Cl)cc2)CCC1)c1ccc([N+](=O)[O-])[nH]1 1789729950 NXCBCCZOPAMNPC-UHFFFAOYSA-N 439.859 4.033 5 20 IIBD CC[C@H]1CC[C@H](C(=O)Nc2ccc(C3(NC(=O)c4nc[nH]c4[N+](=O)[O-])CCC3)cc2)CC1 1791465179 UDGIJWRFTPDSKR-WKILWMFISA-N 439.516 4.282 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1F)c1cc2ccccc2o1 1800350247 YGVFWGZMDKRSSL-MUJYYYPQSA-N 437.427 4.046 5 20 IIBD CCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 1801207218 PJGWZDZMQYDOPB-MUJYYYPQSA-N 429.542 4.498 5 20 IIBD CC(C)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1831377734 FVDJFHHQNIYECH-JRMCHAMMSA-N 431.533 4.257 5 20 IIBD Cc1cc(CCCC(=O)N2CC3(CCCN3C(=O)[C@@H]3CCC[C@@H]3C)C2)c([N+](=O)[O-])cc1F 1843961456 FYCZXEPHOYYQIX-QFBILLFUSA-N 445.535 4.005 5 20 IIBD Cc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cc(Cl)cc([N+](=O)[O-])c3C)C2)c(C)c1 1845499724 AEWFYWOWFWJCDN-UHFFFAOYSA-N 441.915 4.304 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 1847651713 BKUUXPYGEYBUCE-FIJKLRHYSA-N 441.528 4.009 5 20 IIBD COc1ccc2c(C)cc3nnc(S[C@H](C)C(=O)Nc4ccccc4[N+](=O)[O-])n3c2c1 9221487 GCZKTWZBMHVEMP-CYBMUJFWSA-N 437.481 4.227 5 20 IIBD O=C(COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccc(F)cc2)cs1 10758068 JZYFOPMOBIZKHK-XCVCLJGOSA-N 427.413 4.053 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br 14643778 KKZOWHHNCXFTRU-SECBINFHSA-N 429.654 4.425 5 20 IIBD COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc([N+](=O)[O-])s3)ccc2C)cc1 15509650 IDJYCQRNJKHSMV-UHFFFAOYSA-N 447.494 4.026 5 20 IIBD NC(=O)c1ccc(CSc2nc3ccccc3c3nc4ccccc4n23)c([N+](=O)[O-])c1 16811790 AJMHVDHKBXWPDP-UHFFFAOYSA-N 429.461 4.335 5 20 IIBD O=C(COC(=O)c1ccc(-n2cccc2)cc1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 17182785 AVNDAQNEKYUVKY-UHFFFAOYSA-N 433.342 4.200 5 20 IIBD Cc1ccc(Nc2nnc(Sc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])s2)cc1C 18900839 SPPSNJALXPCBTC-UHFFFAOYSA-N 436.540 4.361 5 20 IIBD CCOc1c(Br)cc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1OC 19159683 FNKDUTXQLFFXAZ-UHFFFAOYSA-N 425.235 4.026 5 20 IIBD COc1ccc(Cl)cc1CC(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 24219486 AUHCAVHNQWUSFC-UHFFFAOYSA-N 446.765 4.000 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cccc(-c4nncn4C)c3)cc2[N+](=O)[O-])C1 31124998 FHVHAFYBPHPMOU-HZPDHXFCSA-N 434.500 4.125 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccccc3OC)cs2)cc1OC 32580655 DUEYQAWVDLKNLP-UHFFFAOYSA-N 429.454 4.387 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2ccc(Br)cc2)C1 62513473 VYBVWSZOFPUGOT-LJQANCHMSA-N 448.317 4.150 5 20 IIBD Cc1cc(C)n(-c2ccc(CCNC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1 64420589 KWYNUPROOKPQFK-INIZCTEOSA-N 442.903 4.177 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NC3(c4noc(C)n4)CCCC3)cc2[N+](=O)[O-])n1 105667868 OSNFOFFUIGSHNO-UHFFFAOYSA-N 445.526 4.402 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 109488509 NXAQUAXYBKIHDA-UHFFFAOYSA-N 433.921 4.159 5 20 IIBD CC(C)[C@H](CNCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCN(C)CC1 236690072 ZCZCXAKLNYOWMB-QFIPXVFZSA-N 446.979 4.402 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1CNCc1cccc(NC(=O)NCc2ccncc2)c1 236857195 KEIJXIRLPIVAHO-UHFFFAOYSA-N 435.484 4.000 5 20 IIBD CS(=O)(=O)c1cccc(Oc2ncccc2CNc2ccc(Cl)cc2[N+](=O)[O-])c1 301457989 ZEHCSGLNSDJNRS-UHFFFAOYSA-N 433.873 4.451 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(Nc2cccc(C[S@@](=O)c3ccccc3)c2)s1 302142697 FWQDILJRTXTCMV-HHHXNRCGSA-N 436.536 4.111 5 20 IIBD CCOc1cc(C(=O)NCC2(c3cccc(Br)c3)CC2)c([N+](=O)[O-])cc1OC 303633473 PDYPXTJLYLMCJG-UHFFFAOYSA-N 449.301 4.226 5 20 IIBD O=C(Nc1ccc(F)cc1OCC(F)(F)F)c1cc(O)nc2ccc([N+](=O)[O-])cc12 303678833 LUOOCSOMPJUHIH-UHFFFAOYSA-N 425.294 4.181 5 20 IIBD Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 304009192 KZNBSNBIGYEAHE-UHFFFAOYSA-N 439.493 4.194 5 20 IIBD C[C@@H](COc1ccc(C(C)(C)C)cc1)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 410089582 MZABKSQDGKZMTM-INIZCTEOSA-N 436.512 4.490 5 20 IIBD C[C@@H](NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[C@H](C)c1ccccc1C(F)(F)F 426251947 LSUHFBIBFMDSOP-UONOGXRCSA-N 439.438 4.349 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 428934436 WJTUZHVWCFDYOJ-KUHUBIRLSA-N 437.418 4.323 5 20 IIBD C[C@H]1C[C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCN1Cc1ccccc1 430664139 IDHAEGPDFBCEPX-QFBILLFUSA-N 431.920 4.186 5 20 IIBD C[C@@H]1CN(Cc2ccccc2NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 431087324 VZQIXKAJODQOBS-IAGOWNOFSA-N 426.517 4.261 5 20 IIBD O=C1CN(Cc2ccc(C(F)(F)F)cc2)C(=O)N1CCCCc1ccc([N+](=O)[O-])cc1 431231754 NMXHQQWZQHBXBO-UHFFFAOYSA-N 435.402 4.401 5 20 IIBD O=C(CCc1ccccc1)N1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 434306540 ICGXZIQCZUUONI-UHFFFAOYSA-N 437.521 4.117 5 20 IIBD COc1cccc(C(=O)Nc2c(-c3ccc(Br)cc3)nc(C)n2C)c1[N+](=O)[O-] 435807236 GIUPHFFQPCGYSV-UHFFFAOYSA-N 445.273 4.327 5 20 IIBD COc1ccc(CN[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)nc1 435887819 DXTYDINCSMDDJI-HXUWFJFHSA-N 426.860 4.121 5 20 IIBD CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1cc([N+](=O)[O-])ccc1O 436965086 JZIICLUYGKWZEH-UHFFFAOYSA-N 426.448 4.315 5 20 IIBD Cc1csc(-c2cccc(NC(=O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)c2)n1 437055414 HCQZOJSGYKMNKZ-UHFFFAOYSA-N 436.493 4.156 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1 438424623 HIMDZXPJOSAHRK-KDOFPFPSSA-N 447.417 4.206 5 20 IIBD CC(C)c1ccc(C(=O)N2CCN(c3ccnc(-c4ccccc4)n3)CC2)cc1[N+](=O)[O-] 439536204 LPHLSNFQAJTTDF-UHFFFAOYSA-N 431.496 4.138 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl 439876254 QBCLBGRQHWYCPJ-UHFFFAOYSA-N 441.271 4.403 5 20 IIBD Cc1ccoc1C(=O)NCCCNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] 440643019 ZCZNJQHNOJKIOQ-UHFFFAOYSA-N 439.493 4.197 5 20 IIBD O=C(NC[C@@H](CO)Cc1ccc(F)cc1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 442686307 LBJKHKDCWYBAON-KRWDZBQOSA-N 440.496 4.466 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(Br)s2)c([N+](=O)[O-])c1 443317668 YJQPYSAIDKASLC-NXEZZACHSA-N 428.308 4.105 5 20 IIBD C[C@@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1cccc(N2CCCC2=O)c1 445197027 YBWOPTHERSIFGO-SNVBAGLBSA-N 438.303 4.037 5 20 IIBD COc1ccc([C@H]2CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1OC 445671408 CZKNTNXZINPYRI-QGZVFWFLSA-N 449.301 4.281 5 20 IIBD COc1cc(Cc2noc(CCCOc3ccc4c(c3)CCC4)n2)c([N+](=O)[O-])c(OC)c1 445818924 ODBYYPLYMNLBHE-UHFFFAOYSA-N 439.468 4.086 5 20 IIBD Cc1ccc(-c2csc(NC(=O)Cc3cccc(N4CCCC4=O)c3)n2)cc1[N+](=O)[O-] 447195818 XLDRQIYDUAHPCX-UHFFFAOYSA-N 436.493 4.335 5 20 IIBD O=C(Nc1ccnc(Oc2ccc(F)cc2F)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 448446081 JJRINPWZSZMVSY-UHFFFAOYSA-N 437.362 4.498 5 20 IIBD CC[C@@H](c1ccccc1)c1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 461705382 SFBIJDRLJFQSOP-OFNKIYASSA-N 449.555 4.444 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1C 462492174 URBJCJOKXHBJMY-YLJYHZDGSA-N 427.526 4.012 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCc1nc(-c2ccc(F)cc2)no1 462622262 JQFCDXIBIPNPFE-INIZCTEOSA-N 426.448 4.102 5 20 IIBD O=C(N[C@@H]1CCOc2c(F)ccc(F)c21)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 463001126 JKNAEOQBLVXIKT-GOSISDBHSA-N 442.368 4.491 5 20 IIBD CC[C@@H]1Oc2cc([C@@H](C)NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)ccc2NC1=O 465360254 VXXSBRMPZNQPBZ-VBHSOAQHSA-N 429.498 4.062 5 20 IIBD CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)NCCc1ccccc1[N+](=O)[O-] 466141246 NEUQNNXZLMSJIL-UHFFFAOYSA-N 443.891 4.061 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])Nc1cc(Br)ccc1Br 466157987 PLGJRIQHWVROSZ-UHFFFAOYSA-N 443.095 4.484 5 20 IIBD O=C(c1cc(COc2ccccc2F)on1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 466423256 YESVAYDLSFJVFW-HXUWFJFHSA-N 429.429 4.189 5 20 IIBD COc1cc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)ccc1OCC(F)(F)F 466581761 PXRZYYRUYFPXRF-UHFFFAOYSA-N 447.797 4.197 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NC[C@@]2(C)CCO[C@@H]2C2CC2)c([N+](=O)[O-])c1 466636692 VDUNDLVQZASDLD-ISKFKSNPSA-N 438.480 4.230 5 20 IIBD Cc1sc(S(=O)(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)cc1[N+](=O)[O-] 466974010 IMTQIRZDFQOKOI-UHFFFAOYSA-N 439.902 4.393 5 20 IIBD Cc1ccc(NC(=O)C(=O)N(C)[C@H](C)c2sc(-c3ccccc3)nc2C)cc1[N+](=O)[O-] 469652534 PRVNFAMHSOWSQN-OAHLLOKOSA-N 438.509 4.493 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(C)c(C(=O)N3CCCCC3)c2)c([N+](=O)[O-])cc1OC 470482483 GRVCHQFJROJQOH-UHFFFAOYSA-N 441.484 4.189 5 20 IIBD O=C(NCc1ccnc(Oc2ccccc2F)c1)c1cc([N+](=O)[O-])ccc1OC(F)F 470526116 MELGJXGNOZMMRB-UHFFFAOYSA-N 433.342 4.453 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 470697228 NXTNEEYZZOPWIO-UHFFFAOYSA-N 439.365 4.244 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1 476441610 ZSSZARHVIKZWCY-UHFFFAOYSA-N 438.824 4.116 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(c3ccc(Cl)cc3)CC2)c2ncccc12 476578818 ULRUZMPAAHUNMI-UHFFFAOYSA-N 431.901 4.365 5 20 IIBD COC(=O)c1ccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1OC 478069908 XULATOKIASKBEA-UHFFFAOYSA-N 438.386 4.007 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2nc3cc(F)c(Br)cc3s2)c([N+](=O)[O-])c1 479127352 LJNRVSKLXWMQHH-UHFFFAOYSA-N 446.279 4.215 5 20 IIBD CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1cc([N+](=O)[O-])cnc1O 479532064 WPKSSXHDUOSJNB-UHFFFAOYSA-N 443.481 4.007 5 20 IIBD COc1cc(CCNC(=O)N(CCc2ccccc2)C2CCCC2)c([N+](=O)[O-])cc1OC 480570974 GGBOSMRVYMBIJY-UHFFFAOYSA-N 441.528 4.351 5 20 IIBD CCS[C@H](C)c1noc(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 484996317 KCYYQXFNXFNOEP-GFCCVEGCSA-N 445.467 4.133 5 20 IIBD CCOc1ccc(Nc2ccc3ncccc3c2[N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 485873238 UAWKLGQSUUYZIH-UHFFFAOYSA-N 442.497 4.070 5 20 IIBD CC(C)C(=O)NC[C@H]1CCCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 487345510 YZMCVWLCLGOLAL-QGZVFWFLSA-N 441.553 4.370 5 20 IIBD O=C(Nc1ccc(COCc2ccccc2)cc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 488465281 KXGOCJBUOXFQFY-UHFFFAOYSA-N 435.484 4.377 5 20 IIBD Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 489269113 WWVPDWNRDDNJGL-UHFFFAOYSA-N 428.861 4.148 5 20 IIBD O=C(NCc1ccnc(Oc2ccccc2F)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 489657021 PRVQGRPOZMKBQV-UHFFFAOYSA-N 433.399 4.037 5 20 IIBD CC(C)c1ccc([C@@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)cc1 490788781 CLALUADYRKBUQD-NRFANRHFSA-N 430.526 4.489 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCCN(Cc4ccccc4)CC3)cc2[N+](=O)[O-])CC1 491878987 HVKSNWJUNOBGJN-UHFFFAOYSA-N 436.556 4.179 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2cc3c(cc2F)NC(=O)CC3)cc1[N+](=O)[O-])c1ccccn1 492908889 AYLJIEBVKVEAIP-CYBMUJFWSA-N 449.442 4.439 5 20 IIBD Cc1ccc(NC(=O)CS[C@H](C)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 493047087 FFTNVQZWJRGGNV-MRXNPFEDSA-N 427.526 4.155 5 20 IIBD O=C(CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1cccc2ccccc12 494882517 ZMUWIJOLDLXYGV-UHFFFAOYSA-N 446.385 4.205 5 20 IIBD C[C@H]1C[C@@H](C)CN(Cc2ccc(CNc3cccc(S(C)(=O)=O)c3[N+](=O)[O-])cc2)C1 497549497 ZZXKPMFLYDYIFL-CALCHBBNSA-N 431.558 4.088 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2cc(Br)ccc2F)cc1OC 499150591 LVVXMQKOTKZUHA-UHFFFAOYSA-N 441.253 4.176 5 20 IIBD COc1ccc(C(=O)N[C@H](C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc2)cc1 500080762 GLDBBJZCPUHBQL-SBUREZEXSA-N 447.491 4.260 5 20 IIBD CC(C)NC(=O)c1ccc(N2CCO[C@@H](c3cccc(Br)c3)C2)c([N+](=O)[O-])c1 500555554 OJAMUANVFFTZPG-LJQANCHMSA-N 448.317 4.073 5 20 IIBD Cc1ccc2c(C3=CCN(S(=O)(=O)CCc4ccccc4[N+](=O)[O-])CC3)c[nH]c2c1 500663087 AWXIQPYQQZCCKB-UHFFFAOYSA-N 425.510 4.046 5 20 IIBD COCC1(CCNC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCC1 501768028 KZZXPKPUOYWLKR-UHFFFAOYSA-N 443.466 4.153 5 20 IIBD CCOc1ccc([C@@H](C)NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1OC 501819138 QVVQOQLTWIRSOX-LLVKDONJSA-N 440.399 4.103 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC2CCN(CC(C)C)CC2)cc1 502622539 HKOJKCDZQQMDTA-UHFFFAOYSA-N 427.501 4.246 5 20 IIBD C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cc(C(=O)OC(C)(C)C)n(-c2ccccc2)n1 504375833 CKGZOQUPXKJXHR-OAHLLOKOSA-N 448.479 4.327 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1ccccc1Oc1ccccc1 506141995 CYVCJCAKBHGFAF-IAGOWNOFSA-N 433.464 4.383 5 20 IIBD CC[C@H](C)NC(=O)c1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 507865960 WIBJVAYWHMHZRO-KRWDZBQOSA-N 427.504 4.322 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cccc(COCCOc3ccccc3)c2)c([N+](=O)[O-])c1 509537367 DLBGISXTAQLMHD-UHFFFAOYSA-N 442.493 4.300 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)c1C 509596141 NEZUYXCCNUEQKM-UHFFFAOYSA-N 439.921 4.146 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@H](c3ccnn3C)C2)c([N+](=O)[O-])c1 511142954 BWFBWZHBHPTEFW-WMZHIEFXSA-N 433.512 4.196 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Br)cc2Br)c1 512849831 BGMYZYUNSABKRI-UHFFFAOYSA-N 430.052 4.381 5 20 IIBD Cc1nc([C@@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c2ccccc2F)no1 513225458 ATIFYCIBNZPGFU-KRWDZBQOSA-N 439.428 4.068 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)N2CCCCC[C@H]2/C=C\c2ccccc2)cc1[N+](=O)[O-] 513838576 UEPIFRQYDNNOQF-QXFGJRORSA-N 428.510 4.097 5 20 IIBD O=C(CC1(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCCCC1)Nc1nccs1 518535500 YJFWBLKMHMTVRG-UHFFFAOYSA-N 428.514 4.310 5 20 IIBD Cn1cc(C(=O)NCCOc2ccccc2-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 519985196 AOCXDWXKBIZROD-UHFFFAOYSA-N 442.475 4.471 5 20 IIBD O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 521474679 VEGDNDFJKPVFJE-NRFANRHFSA-N 439.903 4.001 5 20 IIBD CCOC(=O)c1ccnc(N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)c1[N+](=O)[O-] 523113817 UMDQPXWVZPCZBV-HNNXBMFYSA-N 444.246 4.190 5 20 IIBD Cc1ccc(NCCCNC(=O)c2ccc(SCc3nc(C)no3)cc2)c([N+](=O)[O-])c1 523515577 PTXPENHZTCFAFN-UHFFFAOYSA-N 441.513 4.119 5 20 IIBD COC(=O)C[C@H]1CSCCN1C(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 523576612 UKWDCTRSSFIOBS-INIZCTEOSA-N 446.550 4.175 5 20 IIBD Cc1ccc(Oc2ccccc2CNC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)cc1 524670139 DORBMYRVWIPMKM-UHFFFAOYSA-N 440.477 4.029 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1C(F)(F)F 525279158 JKNIYKIDLGUOPJ-VIFPVBQESA-N 447.316 4.031 5 20 IIBD COC[C@H]1CCN(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)C1 525324657 UOPGRUZCCDODEE-AWEZNQCLSA-N 437.855 4.358 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 533386778 RZHCCNKHWPEOTK-INIZCTEOSA-N 439.491 4.026 5 20 IIBD CCCn1c(C)nnc1S[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 534766226 VQNNGZSJRYAFLV-LLVKDONJSA-N 432.531 4.148 5 20 IIBD CCOC(=O)c1sc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)nc1C(C)C 535316886 BJILMBFULDCPAV-UHFFFAOYSA-N 446.529 4.207 5 20 IIBD CCOc1ccc(Oc2cc(CNC(=O)NCCc3cccc([N+](=O)[O-])c3)ccn2)cc1 535377035 QSFMOHXDOHPBEG-UHFFFAOYSA-N 436.468 4.223 5 20 IIBD Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 535408969 YZVTYUPIXDQCCY-HNNXBMFYSA-N 426.904 4.223 5 20 IIBD COc1ccccc1[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccccn1 535556924 WQECHKWAYCKNLJ-JOCHJYFZSA-N 441.871 4.327 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1CCC(C(=O)OC(C)(C)C)CC1 535805569 GGGWAACLPJQUED-DNOWBOINSA-N 426.897 4.032 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)CCOc1ccccc1[N+](=O)[O-] 538041498 MDBPKZOGXAWBMK-DJJJIMSYSA-N 437.290 4.019 5 20 IIBD CCC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)c1 538765306 KSJOBWSRUPUHTG-MRXNPFEDSA-N 447.557 4.380 5 20 IIBD CCOC(=O)c1c(-c2ccco2)csc1NC(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 539282509 XQVROEHWALGXAK-ZDUSSCGKSA-N 443.481 4.382 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 539512429 RUILIUHLUWKFEQ-SNVBAGLBSA-N 430.454 4.055 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN2CC[C@H](CN3CCOCC3)C2)cc1 539835680 MPLWZFLCAZVRIA-GOSISDBHSA-N 431.920 4.195 5 20 IIBD Cc1cc(C(=O)NCC(=O)Nc2cccnc2Oc2cccc(C)c2C)ccc1[N+](=O)[O-] 541091528 VUALMSOWPKPLAO-UHFFFAOYSA-N 434.452 4.076 5 20 IIBD CCn1c(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])nc2cc(F)ccc21 542229513 DRZQODIHALXOHX-UHFFFAOYSA-N 426.326 4.297 5 20 IIBD COC(=O)[C@H](NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)cc1Cl 542533289 LLKHZRDJOWBLNF-JDNHERCYSA-N 429.231 4.175 5 20 IIBD Cc1ccc(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c(O[C@@H]2CCOC2)c1 543160464 GUFUOPBISVYYOI-MRXNPFEDSA-N 436.917 4.133 5 20 IIBD COc1ccc(Br)cc1CN(C)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F 544416755 HIJFUTWTMGSZKE-NSHDSACASA-N 425.254 4.267 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)NCc1ccccc1COc1ccccc1Cl 544715092 YCBNQUZZQHZSAH-UHFFFAOYSA-N 446.912 4.447 5 20 IIBD COc1cc(CCc2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)cc(OC)c1 547155731 IZCRTMVYSNQQPP-UHFFFAOYSA-N 448.273 4.134 5 20 IIBD Cc1c(Cc2noc(CCc3nnc(-c4ccc(Cl)cc4)o3)n2)cccc1[N+](=O)[O-] 547172152 DXVDLDGOZZEFCD-UHFFFAOYSA-N 425.832 4.366 5 20 IIBD Cc1c(-c2nc(Cc3cccc(F)c3I)no2)cccc1[N+](=O)[O-] 547268067 UPTMAGLOQFHLMZ-UHFFFAOYSA-N 439.184 4.288 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1OCCC(F)(F)F 548889870 YMKPMVWBLKZCHN-UHFFFAOYSA-N 431.342 4.266 5 20 IIBD CN(Cc1ccc(Cl)s1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 550089442 MWMYPCBTYRYONY-CYBMUJFWSA-N 433.921 4.241 5 20 IIBD COc1cc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)ncc1Br 550703304 YFMGGIRSPQIWMN-UHFFFAOYSA-N 445.067 4.084 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 553040340 ABWCRTJWGSBRQR-QRVBRYPASA-N 431.286 4.002 5 20 IIBD CCCC(=O)Nc1cccc(NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 556553452 OYGDELKBYCECCZ-UHFFFAOYSA-N 426.473 4.208 5 20 IIBD C[C@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1ccc(-n2cccn2)c(F)c1 558971152 DDXRUWTXPPOYOE-AWEZNQCLSA-N 434.431 4.057 5 20 IIBD CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 559044471 ZGMMHHOSYALIPR-LJQANCHMSA-N 439.491 4.413 5 20 IIBD CCC[C@@H](NCc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)c1cccc([N+](=O)[O-])c1 560265965 MTWNZVGUIVVYLA-QPPBQGQZSA-N 436.512 4.451 5 20 IIBD O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 561181471 CEEWTHOFPWFJMZ-FSSWDIPSSA-N 429.476 4.302 5 20 IIBD CCOc1ccc(CNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)cc1Cl 561345089 KGOXZFIYDMTFJP-UHFFFAOYSA-N 435.267 4.458 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)c1 564190659 RXOUXTDGABAIKP-FQEVSTJZSA-N 438.402 4.144 5 20 IIBD CC(=O)N[C@H]1CC[C@H](C(F)(F)F)N(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 571601803 CCYCYWANSAFLDX-KBXCAEBGSA-N 427.448 4.355 5 20 IIBD Cc1cccc(CN(C)C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n1 572084942 PEEZVLAUIVMVAE-UHFFFAOYSA-N 441.491 4.352 5 20 IIBD Nc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccccc3F)n2)cc1[N+](=O)[O-] 572162179 IHUJWJPHPZHFDJ-UHFFFAOYSA-N 449.398 4.051 5 20 IIBD O=C1C[C@H](c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)CN1c1ccccc1Cl 576676412 GHNVLOYTPCCNIA-ZDUSSCGKSA-N 437.843 4.224 5 20 IIBD O=C(NC[C@]1(CO)C[C@@H]1c1ccccc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 578750818 XETKWNOQHAUJIZ-BWKNWUBXSA-N 431.492 4.103 5 20 IIBD CCc1nc2cc(CN[C@H](c3cccc([N+](=O)[O-])c3)c3nccn3C)ccc2n1C1CC1 580469143 MRARAUGUOUNLIL-HSZRJFAPSA-N 430.512 4.455 5 20 IIBD COC(=O)c1cc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)cc(Br)c1F 580507792 GAEZDLFBBCCNOK-SECBINFHSA-N 425.210 4.025 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NC34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)cc2[N+](=O)[O-])n1 580595239 XIVQVNHWJIKJKI-RKOMNEFPSA-N 445.566 4.324 5 20 IIBD O=C(Cc1noc(/C=C\c2ccc(-c3ccccc3[N+](=O)[O-])s2)n1)Nc1ccccn1 583770800 WXMPPSHCOBSRGT-LUAWRHEFSA-N 433.449 4.453 5 20 IIBD O=C(Nc1ccccc1)c1cccc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)c1 583955977 MQICIRUPYVEQRI-UHFFFAOYSA-N 433.420 4.261 5 20 IIBD CN1CCC(N(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)c2ccccc2)CC1 601963367 VIWHCRYEMDOQMK-UHFFFAOYSA-N 425.532 4.282 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])NCc1cccc(NC(=O)c2cccc(F)c2)c1 604005975 WVGRIZLOHNXTBM-UHFFFAOYSA-N 437.427 4.072 5 20 IIBD O=[N+]([O-])c1ccc(CNS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 604043486 RMYZIHIGCXPCFQ-UHFFFAOYSA-N 428.310 4.111 5 20 IIBD CCOc1ccc([C@H](NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 608876268 ITUADKCFMJJSRA-GAJHUEQPSA-N 447.491 4.018 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCO[C@H](c4ccccc4F)C3)cc2[N+](=O)[O-])CC1 608963494 RYHKGLNNHOVMTE-QFIPXVFZSA-N 427.476 4.184 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2CCN(C3CCCC3)C2)cc1 609310089 UCIQMVZASIDYSR-MRXNPFEDSA-N 425.485 4.142 5 20 IIBD Cc1cc(C)n(-c2ccc(CCNC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1 609727180 CPNQVUZVXYVWHM-UHFFFAOYSA-N 442.903 4.179 5 20 IIBD C[C@@H]1Oc2ccccc2N(CC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1=O 609755418 KVGJSRNTSCMFSU-HNNXBMFYSA-N 433.420 4.140 5 20 IIBD O=C(Nc1nncn1Cc1ccccc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 609796595 CPSXOWJUDOTHSN-UHFFFAOYSA-N 428.452 4.099 5 20 IIBD CCc1nc([C@H]2CCCCN2C(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)no1 609975205 KJPZADABLABWIU-JTDSTZFVSA-N 441.532 4.390 5 20 IIBD O=C(N[C@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccccc1 610066540 QKOQUSBNDOEJOE-QHCPKHFHSA-N 431.492 4.205 5 20 IIBD Cc1cc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)ccc1OC(C)C 610186336 NXOFMTNADIPKDT-UHFFFAOYSA-N 427.486 4.222 5 20 IIBD COc1ccc(CN[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 610271490 OXTQQWBKHKILBE-WWPVKYPJSA-N 426.513 4.476 5 20 IIBD COc1ccccc1Oc1ccc(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 611281237 XOWAEPHCSWPAAS-UHFFFAOYSA-N 434.495 4.473 5 20 IIBD CCOC(=O)C[C@@H](c1ccccc1)C1CCN(c2ncnc3cccc([N+](=O)[O-])c23)CC1 612438658 ZAORIQRNSBQKFH-IBGZPJMESA-N 434.496 4.491 5 20 IIBD COC(=O)c1ccc(OCc2ccnc(-c3ccc(Br)cc3)n2)cc1[N+](=O)[O-] 613110904 YYLPIOKISWSLCK-UHFFFAOYSA-N 444.241 4.180 5 20 IIBD CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C[C@@H]1N1CCCC1 614279136 JZWDDEACASDBFG-ICSRJNTNSA-N 435.615 4.281 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCCN(CC2CCCCC2)CC1 617251713 JDQSSGXOFKHYRS-UHFFFAOYSA-N 431.580 4.269 5 20 IIBD CCOC(=O)c1nc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c[nH]1 617870475 TWHMJDPZKYRZQJ-UHFFFAOYSA-N 430.804 4.193 5 20 IIBD CSc1ccc(C(=O)N2CCO[C@@H](c3ccccc3Br)C2)cc1[N+](=O)[O-] 725729565 WVNYJOYLZVHAGM-MRXNPFEDSA-N 437.315 4.293 5 20 IIBD COC(=O)c1sc2cccc(F)c2c1COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] 725938401 YVFWGIZCKDKACG-UHFFFAOYSA-N 425.340 4.370 5 20 IIBD Cc1nc([N+](=O)[O-])c(Br)n1Cc1nnc(-c2ccc(Cl)cc2Cl)o1 726430875 CMKLONRUEHRMHD-UHFFFAOYSA-N 433.049 4.267 5 20 IIBD COc1ccc2cc(COC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)ccc2c1 726501169 HUXVXDKDHGUIDG-QHCPKHFHSA-N 448.475 4.413 5 20 IIBD O=C(CCc1ccccc1OC(F)(F)F)OCc1cc([N+](=O)[O-])cc2c1OCOC2 727554899 SIVDAEDOANDZIU-UHFFFAOYSA-N 427.331 4.036 5 20 IIBD O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 731335029 JPBOSVVDYBMRON-UHFFFAOYSA-N 446.511 4.432 5 20 IIBD Cc1cc(S(=O)(=O)Nc2cccc(CN(C)C(=O)OC(C)(C)C)c2)ccc1[N+](=O)[O-] 734740544 SFCKUHHSWVVNAH-UHFFFAOYSA-N 435.502 4.071 5 20 IIBD O=C(CCCc1nc(-c2cccs2)no1)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 735442163 GJFOBQNOBXDMNG-UHFFFAOYSA-N 440.437 4.427 5 20 IIBD O=C(Nc1cc(-c2ccccc2Br)no1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 736680447 FRFINNWSPZQOHT-UHFFFAOYSA-N 433.174 4.173 5 20 IIBD COc1cc(N2CCC(OC(=O)COc3cc(C)ccc3Cl)CC2)ccc1[N+](=O)[O-] 739379108 DBUFBWGTERKTCX-UHFFFAOYSA-N 434.876 4.156 5 20 IIBD COc1cc(N2CCC(OC(=O)CCCOc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] 739383888 FDOVNYSEMQARFS-UHFFFAOYSA-N 432.448 4.114 5 20 IIBD CCN(Cc1cccc(-c2ccncc2)c1)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 743936254 DZTNRSNXEZGMHE-UHFFFAOYSA-N 438.871 4.297 5 20 IIBD Cn1ccnc1COc1ccc(COC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 744055790 LXYZAYLMBUVPKT-UHFFFAOYSA-N 435.358 4.283 5 20 IIBD C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)OCc1cc(Cl)ccc1[N+](=O)[O-] 746067591 BOJLDQYBIGIKDU-SECBINFHSA-N 431.659 4.417 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 746263951 QKXIIIXRMUDTMK-WMZOPIPTSA-N 437.265 4.225 5 20 IIBD O=C(Nc1ccc(N2CCc3sccc3C2)cc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 748649540 FHIMKWDWUQIMRT-UHFFFAOYSA-N 446.492 4.052 5 20 IIBD Cc1ccc(NC(=O)CN(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cc1 749568115 DDWANDKRNRRZIX-UHFFFAOYSA-N 440.681 4.030 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)OCc2cn3cc(Cl)cc(Cl)c3n2)cc1[N+](=O)[O-] 750135220 QISJIJGHEHGQGV-UHFFFAOYSA-N 425.184 4.123 5 20 IIBD O=C(NCC1([C@@H](O)c2ccccc2)CC1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 752358486 VCTWWFVDEPKXMG-QHCPKHFHSA-N 431.492 4.451 5 20 IIBD Cc1ccc([C@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] 752416491 JHKLSVRXJPOXSA-QFBILLFUSA-N 427.501 4.216 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cc1[N+](=O)[O-] 753069840 XGWYYRIOFGMIHV-UHFFFAOYSA-N 425.894 4.342 5 20 IIBD Cc1nn(Cc2ccc(Cl)cc2)c(C)c1COC(=O)COc1ccccc1[N+](=O)[O-] 754908486 TZBGDLOJXILDGO-UHFFFAOYSA-N 429.860 4.232 5 20 IIBD O=C(OCc1nc(O)c2ccc(C(F)(F)F)cc2n1)c1cc([N+](=O)[O-])cc(Cl)c1F 754981175 AYLIQYAHZILZSS-UHFFFAOYSA-N 445.712 4.412 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)NCCc2ccccc2[N+](=O)[O-])cc1 755174671 OVARFUYXPVUHNN-UHFFFAOYSA-N 428.489 4.026 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1ncc(F)cc1F 758591183 DFGRKQVGWLRABE-GOSISDBHSA-N 447.781 4.458 5 20 IIBD C[C@@H](C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cccc([N+](=O)[O-])c1 761429238 VAYKARPEIQXBDU-CQSZACIVSA-N 435.392 4.464 5 20 IIBD CC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cc([N+](=O)[O-])c(Br)cc2C)c1 761963961 AXCMUOMWXMPYET-UHFFFAOYSA-N 447.694 4.323 5 20 IIBD Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)c(Cl)c1 762968750 NMWFBEPVBQMKQB-SNVBAGLBSA-N 434.861 4.054 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CCC[C@H](c2nc3c(s2)CCCC3)C1 768538887 MDVAXOAAGXGECE-AWEZNQCLSA-N 428.514 4.271 5 20 IIBD Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 769461921 CLJIFZWUUVIAEV-KRWDZBQOSA-N 444.898 4.022 5 20 IIBD C[C@@H](Nc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1)c1ccccc1[N+](=O)[O-] 774409010 JGSJFPPDOLQDEA-MRXNPFEDSA-N 431.448 4.443 5 20 IIBD CC[C@@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)C[C@H](O)c1ccc([N+](=O)[O-])cc1 776579705 OEUSLUYTBKMFJH-KUHUBIRLSA-N 439.434 4.386 5 20 IIBD O=C(CCc1ncc(-c2ccccc2)o1)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 778803707 QVTVNTBPSYBLKE-KRWDZBQOSA-N 425.416 4.144 5 20 IIBD Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 778890538 JWPZBCBYPCSFGP-AWEZNQCLSA-N 434.880 4.115 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCc1noc(-c2ccc(F)cc2F)n1 781168230 AVCFRSIHAUWIEL-SECBINFHSA-N 439.758 4.087 5 20 IIBD C[C@@H](OC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1ccc2ccccc2c1 781735840 CYJIZGDKJUGROQ-CQSZACIVSA-N 437.408 4.159 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 783304983 BAISLKYBSBKPPT-GFCCVEGCSA-N 444.900 4.203 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)c1ccc(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)cc1 786788797 PRUXAQGKFBBRIF-CYBMUJFWSA-N 435.502 4.328 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(I)c1)c1cc([N+](=O)[O-])ccc1Cl 788108041 LCEOMAXSNDIBPY-UHFFFAOYSA-N 447.572 4.013 5 20 IIBD COc1ccc(C)cc1-c1csc(NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)n1 791198118 YOLHYDOIYZGZSW-UHFFFAOYSA-N 430.461 4.493 5 20 IIBD Cc1cc(-n2ccnc2)ccc1COC(=O)c1cc([N+](=O)[O-])c(Br)cc1F 791406576 IEGDHJMFOHRLGJ-UHFFFAOYSA-N 434.221 4.348 5 20 IIBD Cc1ccc(F)cc1NC(=O)[C@@H](C)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 792896407 HAMOTTBDTHUMOJ-GFCCVEGCSA-N 436.281 4.190 5 20 IIBD O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1CN(Cc1ccccc1)CC(F)F 795433186 NABSGGUEPHBTHL-UHFFFAOYSA-N 440.244 4.038 5 20 IIBD O=C(OCc1cccc(COC(=O)c2ccccc2[N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-] 797125261 AFVICJNXDYPXBI-UHFFFAOYSA-N 436.376 4.217 5 20 IIBD O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccc(Oc2ccccc2)cn1 799606165 SPMZWMPPNUCTBO-UHFFFAOYSA-N 434.452 4.251 5 20 IIBD O=C(OCc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1CS(=O)(=O)c1ccccc1 803344965 ZNPHLWWBJUESBY-UHFFFAOYSA-N 447.415 4.204 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@](c2nc(Cc3ccccc3[N+](=O)[O-])no2)(C(F)(F)F)C1 809239416 DBSUBVJOKRVYEM-GOSISDBHSA-N 442.394 4.010 5 20 IIBD COc1ccc(CCC(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1OC 811220883 SVTZVIDLWNMEGR-UHFFFAOYSA-N 428.466 4.412 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cc(Cl)ncc1Br 811466789 YLDXAAYEQRMMSS-UHFFFAOYSA-N 438.587 4.355 5 20 IIBD C[C@@H]1CN(c2ccc(NC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])cc2F)C[C@@H](C)O1 813835394 QFAJRAUEBFNKKW-HUUCEWRRSA-N 430.480 4.404 5 20 IIBD C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(N2CCCOC2=O)cc1 814356570 YMLUDLNCUVXRMF-INIZCTEOSA-N 438.484 4.033 5 20 IIBD CN(C)c1cc(F)c(C(=O)Nc2cc(-c3ccoc3)nn2-c2ccccc2)cc1[N+](=O)[O-] 821672852 ARLVMFIGRFVSQG-UHFFFAOYSA-N 435.415 4.498 5 20 IIBD C[C@@H](OC(=O)COc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 914909522 RBTXCYGWCPPOTL-SNVBAGLBSA-N 446.765 4.216 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N(C)[C@@H](C)c2ccccc2)CC1 917229320 OINOPCCHHKPRHW-SFHVURJKSA-N 439.512 4.208 5 20 IIBD C[C@@H](NC(=O)/C(=C/c1cccs1)n1nnnc1-c1ccccc1)c1cccc([N+](=O)[O-])c1 917701286 NOAKORNJTNGVDS-KWPCUBQOSA-N 446.492 4.185 5 20 IIBD Cc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)cc1 917875346 UBVCKNLGTAQNBT-MRXNPFEDSA-N 425.304 4.192 5 20 IIBD CC(C)Oc1ccccc1[C@@H](C)NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 917903481 YWKLRLVXFCIAMP-GFCCVEGCSA-N 443.319 4.184 5 20 IIBD CCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)cc1Cl 918159191 AYBGBPGPNRUJAR-UHFFFAOYSA-N 435.683 4.210 5 20 IIBD Cc1nn(Cc2ccc(C(=O)OCc3ccc(OC(F)F)cc3)cc2)c(C)c1[N+](=O)[O-] 918504561 BCXQFNWGBIBRCH-UHFFFAOYSA-N 431.395 4.415 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 918921775 TUJYYCZYHIFYHC-QFIPXVFZSA-N 436.489 4.296 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 920246268 GVVCYUFFPDFGEF-OAHLLOKOSA-N 449.573 4.466 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC(Nc2ccccc2Cl)CC1 1116349024 WXEIRBXNMDQGFF-AWEZNQCLSA-N 432.908 4.160 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccco4)CCC3)cc2)ncc1[N+](=O)[O-] 1788765084 RWHJEGNNJNCCER-MDZDMXLPSA-N 446.463 4.352 5 20 IIBD Cc1ccc(C(=O)C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])o4)CCC3)cc2)cc1 1791505106 ITWBBQJTIIZYGZ-UHFFFAOYSA-N 447.447 4.127 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3cc[nH]c23)[nH]n1)c1ccc([N+](=O)[O-])o1 1814310037 YWVHQPOMBVMGFT-INIZCTEOSA-N 448.439 4.012 5 20 IIBD CC/C=C(\C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])[nH]n1 1823098774 IKODDRIPEBQLAP-AIZPIVBISA-N 437.500 4.380 5 20 IIBD COc1ccc([C@@H](N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c2ccccc2)cc1 10351647 JVUJHFMTLSAHBJ-MWTRTKDXSA-N 435.480 4.318 5 20 IIBD CC(C)n1c(SCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)nc2cc(Cl)ccc2c1=O 12196904 ILQUMQPCMHGCLU-UHFFFAOYSA-N 446.916 4.294 5 20 IIBD CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)Oc3ccc(C)cc3[N+](=O)[O-])cc2)cc1 16728974 HDXCJZJQSXMYEM-UHFFFAOYSA-N 426.450 4.296 5 20 IIBD COc1ccc(C)cc1CC(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 17987284 QPJQHEYBFBHYEI-LBPRGKRZSA-N 440.374 4.044 5 20 IIBD O=C(c1ccccc1OCCOc1ccccc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 18077798 APDJQAMSXPFODB-UHFFFAOYSA-N 447.491 4.015 5 20 IIBD COc1ccc(-c2nc(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cs2)cc1 19176027 BGIJUDNSXUDGFT-UHFFFAOYSA-N 447.856 4.176 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)OCO2 19179705 TXQPWUKSLOHYEP-UHFFFAOYSA-N 442.431 4.357 5 20 IIBD C[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)NC[C@H](C)c1ccccc1 23204586 FWUROIDXUFAPCJ-OALUTQOASA-N 442.515 4.006 5 20 IIBD COc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1OCc1cccnc1 27170192 AQBUIBKRARELTF-UHFFFAOYSA-N 427.844 4.161 5 20 IIBD Cc1nc2ccccc2nc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1Br 29281020 BMOBMSLOHJHZGC-UHFFFAOYSA-N 433.287 4.340 5 20 IIBD Cc1ccc(-c2csc(NC(=O)c3nnn(-c4cccc([N+](=O)[O-])c4)c3C)n2)cc1C 31875490 CXSVZWHFSQKZNW-UHFFFAOYSA-N 434.481 4.477 5 20 IIBD O=C(Oc1ccc(NC(=O)c2cccs2)cc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 32050901 OWXMMKAKTBAJHN-UHFFFAOYSA-N 434.433 4.314 5 20 IIBD CC(C)CN1CCO[C@@H](CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 32268135 LGUYEBFOTACASR-IBGZPJMESA-N 447.919 4.127 5 20 IIBD O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)Nc1ccc(Cl)cc1[N+](=O)[O-] 36783744 VICWDBUJZWWRHR-UHFFFAOYSA-N 429.889 4.437 5 20 IIBD COc1cc(C)c([C@@H](C)NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1OC 46815784 JGAMETDFWOVQCA-QGZVFWFLSA-N 430.504 4.358 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 61191008 PONFHCFJKAFALG-UHFFFAOYSA-N 427.848 4.034 5 20 IIBD Cc1ccc2nc(COc3ccccc3C(=O)NCCc3ccc([N+](=O)[O-])cc3)cn2c1 65123895 QSVBBUJRYBVODA-UHFFFAOYSA-N 430.464 4.102 5 20 IIBD CC[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1nc(-c2ccccc2)c[nH]1 109018582 DUYNUQNKCQTRQV-LJQANCHMSA-N 433.512 4.469 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)CC(C)(C)c2ccccc2)ccc1[N+](=O)[O-] 110318756 GSJNDHWVSFBELX-AVRDEDQJSA-N 437.540 4.380 5 20 IIBD COc1cc(CNC2CCN(CC3CCCC3)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F 237355249 YJYRDNVGAQGASQ-UHFFFAOYSA-N 445.482 4.289 5 20 IIBD O=[N+]([O-])c1ccc(NCc2ccc(C(F)(F)F)cc2)c(S(=O)(=O)N2CCCC2)c1 301080166 SUBYKFWJXDCXOF-UHFFFAOYSA-N 429.420 4.010 5 20 IIBD CC(C)NC(=O)c1ccc(N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 302924851 AUQNYHVGXQRDIB-UHFFFAOYSA-N 439.299 4.115 5 20 IIBD Cn1c(CCNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)nc2c(F)cccc21 303540571 YKYTXPSVBGQORE-UHFFFAOYSA-N 433.443 4.337 5 20 IIBD O=C(N[C@@H]1CCCC12CCOCC2)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 409792799 SNQWJCOPKZFIPE-MRXNPFEDSA-N 439.299 4.166 5 20 IIBD Cc1cc(=O)c(C(=O)N2CCC[C@@H]2CCC2CCCCC2)nn1-c1ccccc1[N+](=O)[O-] 427103381 VWQZSPODEULJRB-LJQANCHMSA-N 438.528 4.414 5 20 IIBD Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cccc1-c1ncco1 427298655 FHSCPWUNPNSOQN-UHFFFAOYSA-N 427.360 4.378 5 20 IIBD CCCN(Cc1ccccc1)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C 430297303 AIAGYRBDSCXHFC-UHFFFAOYSA-N 434.290 4.043 5 20 IIBD CSc1ccccc1NC(=O)CN(C)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 435933722 FDMVVOUGHFXQBA-UHFFFAOYSA-N 431.517 4.114 5 20 IIBD O=C(NC1CCN(C(=O)c2ccccc2O)CC1)c1cc2ccccc2c2cccnc12 436943127 IQZWVAMHTHNFBU-UHFFFAOYSA-N 425.488 4.128 5 20 IIBD O=C(c1csc(-c2ccc3c(c2)OCCO3)n1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437100843 TZFNFFFMXXYBKY-UHFFFAOYSA-N 437.477 4.294 5 20 IIBD CN(CC1(N(C)C)CCC1)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 438631435 RNHBNAJUKUBCHD-UHFFFAOYSA-N 430.936 4.417 5 20 IIBD CC(C)c1ccc(C(=O)Nc2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)cc1[N+](=O)[O-] 438969855 FLTQVUFYBNYIMP-IYBDPMFKSA-N 425.485 4.220 5 20 IIBD Cc1cc(I)cnc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 440681211 SIQQZRPFFAANPJ-SNVBAGLBSA-N 443.266 4.022 5 20 IIBD CC(C)N(C)C(=O)C1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 441817689 DHGSTBWYSHWJHW-UHFFFAOYSA-N 441.553 4.465 5 20 IIBD CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 442519547 YUNFXEHJCAHVIB-DNVCBOLYSA-N 447.438 4.211 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F 443452292 HJKGXJXZJDOFBU-KRWDZBQOSA-N 427.404 4.220 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NC[C@@H](C)c2c(C)noc2C)c([N+](=O)[O-])c1 443881206 HGYGVTFJHHTXNZ-CYBMUJFWSA-N 437.452 4.433 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C 443943837 FOSXWCHVGBLJTJ-GOSISDBHSA-N 426.473 4.164 5 20 IIBD Cc1ccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1C(=O)N(C)C 444231872 KIPGHYYGIITSHB-UHFFFAOYSA-N 435.430 4.222 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3ccc(Oc4ccc(C(N)=O)cc4)cc3)n2)c1 445578525 GIJYZNGSQNXPEP-UHFFFAOYSA-N 446.419 4.135 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)c1csc([N+](=O)[O-])c1 447637461 QGCGWRSGVUVPQZ-UHFFFAOYSA-N 435.458 4.157 5 20 IIBD Cc1ccc(C(C)(C)CN(C)C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 460540755 XKQKKZKFAXGBFC-JOCHJYFZSA-N 437.540 4.252 5 20 IIBD CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 460644212 WEYYNKHOEIKVEV-UHFFFAOYSA-N 438.509 4.436 5 20 IIBD CN(C(=O)c1cc(C(=O)N(C)C(C2CC2)C2CC2)cc([N+](=O)[O-])c1)C(C1CC1)C1CC1 460651418 BLMQYBYPROVXPT-UHFFFAOYSA-N 425.529 4.116 5 20 IIBD Cc1oc(-c2ccsc2)nc1CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464665779 UBQZGFLUBGWUIM-UHFFFAOYSA-N 427.482 4.232 5 20 IIBD O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 466257762 SEEZQKBYKHKLRL-IIBYNOLFSA-N 448.928 4.467 5 20 IIBD Cc1sc(NC(=O)CCc2cccc([N+](=O)[O-])c2)nc1-c1ccc2c(c1)CCC(=O)N2 466623005 LCCNZLGKPWSVEB-UHFFFAOYSA-N 436.493 4.483 5 20 IIBD CC[C@@H](NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1nc(C(F)(F)F)cs1 466688807 JLLAORVBWNBVPF-CQSZACIVSA-N 443.451 4.053 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCO[C@@H](c2cccc(Cl)c2)C1 468979449 LZCFGYHCXBNDCS-HSZRJFAPSA-N 432.907 4.408 5 20 IIBD CC(C)[C@H](CNC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)Cc1ccccc1 469528548 FWKJVJQPZYGFLI-SFHVURJKSA-N 439.541 4.119 5 20 IIBD Cc1c(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cccc1OCC(F)(F)F 470354874 SLWVEJZXOJIULH-UHFFFAOYSA-N 425.363 4.139 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@@H](OC1CCOCC1)c1ccccc1 471060495 XMXDBPISGCOUGT-KSFYIVLOSA-N 428.485 4.049 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nc2cc(Br)ccc2n1CC 471106821 CYYHNLDPVISSJW-UHFFFAOYSA-N 433.262 4.378 5 20 IIBD CCOC(=O)[C@H](NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@H]1CCCOC1 475138378 MITQTDKFEPHDMW-HRAATJIYSA-N 448.903 4.488 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)NC(CCc1ccccc1)CCc1ccccc1 475476882 JNWRDTBRRFLKRG-UHFFFAOYSA-N 431.492 4.284 5 20 IIBD Cc1cc(-c2csc(NC(=O)CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])n2)ccc1F 476691813 RWGAXFTVBJUZRG-UHFFFAOYSA-N 448.863 4.188 5 20 IIBD CC(=O)Nc1sc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 479356339 IKEFHLFJPLIQSX-UHFFFAOYSA-N 428.495 4.408 5 20 IIBD COc1cc(OC)c(OC)cc1CNC(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C 479485100 JMBKCLQVPYGRPT-UHFFFAOYSA-N 434.514 4.299 5 20 IIBD Cc1ccc(-n2ncc(NS(=O)(=O)CCc3ccccc3[N+](=O)[O-])c2C(C)C)cc1 480256158 YRYUIYPWRHNYIP-UHFFFAOYSA-N 428.514 4.197 5 20 IIBD CS(=O)(=O)c1cccc(N[C@@H](c2cc(F)cc(Br)c2)C2CC2)c1[N+](=O)[O-] 480506698 QSESFTRVGQBJRM-MRXNPFEDSA-N 443.294 4.463 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCN(Cc2cscn2)CC1 480787316 BLBGCDGMYWJGEX-UHFFFAOYSA-N 440.550 4.161 5 20 IIBD CN1CCC[C@@H]2CN(C(=O)c3ccc(NCc4ccccc4Cl)c([N+](=O)[O-])c3)CC[C@@H]21 483567635 YNLWRDSGQUDOTM-NQIIRXRSSA-N 442.947 4.417 5 20 IIBD O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)c1cnc(O)c([N+](=O)[O-])c1 484263964 AXIHDZURSKZZBY-UHFFFAOYSA-N 425.253 4.302 5 20 IIBD COc1cc(CN2CCC(c3noc(-c4ccccc4OC)n3)CC2)c([N+](=O)[O-])cc1F 484325348 LXQLGWQYJKIZRO-UHFFFAOYSA-N 442.447 4.181 5 20 IIBD Cc1occc1-c1cc(NS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)no1 486555838 FCXQNESTSPOUIU-UHFFFAOYSA-N 442.247 4.023 5 20 IIBD O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 486670701 LAPIRXSYJSIUDM-UHFFFAOYSA-N 427.461 4.092 5 20 IIBD CC(C)(CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc2c(c1)OCCO2 487919825 UKPMXWNKFUWBPK-UHFFFAOYSA-N 425.485 4.018 5 20 IIBD COc1cc(CNc2ccc(N3CCOCC3)cc2C)c([N+](=O)[O-])cc1OCC(F)F 490404191 ULVFEKUTAVFSPX-UHFFFAOYSA-N 437.443 4.004 5 20 IIBD COc1cc(CNc2ccc(N3CCCC3=O)c(F)c2)c([N+](=O)[O-])cc1OCC(F)F 491034918 IDAGDKUHEFCPHP-UHFFFAOYSA-N 439.390 4.125 5 20 IIBD COc1cc(CNCc2ccc(F)cc2Br)c([N+](=O)[O-])cc1OCC(F)F 491995312 DYWKTICARPJITG-UHFFFAOYSA-N 449.223 4.439 5 20 IIBD CCCCCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1nc(C)c(C(=O)OCC)s1 498235600 VOWFFQKUVFWOBD-UHFFFAOYSA-N 449.485 4.102 5 20 IIBD COc1cc(C(=O)N2CCN(C)CC[C@H]2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 498738764 MQVBTSKHGZTAQA-CQSZACIVSA-N 433.892 4.215 5 20 IIBD CCC[C@]1(C(F)(F)F)CCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br 499070252 PUIDGJAFMHXMRY-OAHLLOKOSA-N 438.244 4.493 5 20 IIBD NC(=O)NCc1ccc(NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 499223642 SUDQDYALCAUCSY-UHFFFAOYSA-N 442.479 4.228 5 20 IIBD C[C@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)c1ccccc1C(F)(F)F 500117821 GFOLVLLAACXDCO-KBPBESRZSA-N 437.418 4.042 5 20 IIBD CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)c1c(Cl)cccc1[N+](=O)[O-] 500592801 XVNJXFAFWQFNIH-UHFFFAOYSA-N 444.702 4.334 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1(c2cccc(Br)c2)CCOCC1 501961343 WBVAFNYSSBQZSN-UHFFFAOYSA-N 433.302 4.144 5 20 IIBD Cc1ccc(C(C)C)c(Oc2ccc(CN(C)[C@H]3CCS(=O)(=O)C3)cc2[N+](=O)[O-])c1 505329441 CXLFFPWYDCGWPF-SFHVURJKSA-N 432.542 4.438 5 20 IIBD O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 505793821 XKICHFKSKWVZBJ-QGZVFWFLSA-N 438.267 4.241 5 20 IIBD C[C@H](COc1ccccc1C(F)(F)F)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 507984855 MSPKDLCJEIEDKF-CQSZACIVSA-N 437.418 4.411 5 20 IIBD CCc1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)cs1 509478577 KDMSQFZUFUPLKJ-VIFPVBQESA-N 445.282 4.018 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1cccc(OCCF)c1 510338287 SAEFKHNVTNMASK-UHFFFAOYSA-N 444.200 4.108 5 20 IIBD Cc1c(Br)cc(C(=O)N[C@H](C)c2noc(-c3ccccc3)n2)cc1[N+](=O)[O-] 510464261 JVYKOQBSERVOHT-LLVKDONJSA-N 431.246 4.207 5 20 IIBD COc1ccc(CN2CCC(CCN(C)C)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 511487405 KPBNHLQYNLQPIM-UHFFFAOYSA-N 427.545 4.346 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 512040118 KEPGKGUEVPTMAL-OAQYLSRUSA-N 445.479 4.079 5 20 IIBD C[C@@H](c1cccnc1)N1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 514151046 GYEWKXYTULJTNX-IBGZPJMESA-N 445.523 4.121 5 20 IIBD C[C@H](C(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1)c1cccc([N+](=O)[O-])c1 516378433 KYDJTTIPVJBDHX-NWDGAFQWSA-N 445.273 4.388 5 20 IIBD O=C(NCc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 518226654 KCSFYMNQIAOYNK-UHFFFAOYSA-N 438.447 4.254 5 20 IIBD COCCOc1c(Cl)cccc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 520680144 WHNHFPPUSDXFLO-UHFFFAOYSA-N 448.781 4.467 5 20 IIBD Cc1ccc(Sc2ncccc2C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1C 522856814 VOWRXUPQFZKYKK-QGZVFWFLSA-N 449.536 4.479 5 20 IIBD COc1ccc(CC[C@H]2CCCCN2C(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1OC 523563434 FNJUYEXHSMBUAT-GOSISDBHSA-N 428.485 4.248 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NC[C@H]1CCc2ccccc2N1 525193540 WXARNWYROVKUST-GOSISDBHSA-N 438.509 4.234 5 20 IIBD O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H](O)COc2ccccc2Br)o1 531702288 KUTXHKDRTUQCPH-AWEZNQCLSA-N 447.285 4.147 5 20 IIBD CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 532429540 AEPMBXOPRQCJRR-IBGZPJMESA-N 425.485 4.153 5 20 IIBD COCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](C)c1ccccc1 532934013 VUMUEZWBAHCRQJ-AWEZNQCLSA-N 436.306 4.005 5 20 IIBD COc1ccc(CN[C@@H]2CCO[C@@]3(CCSC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 533187265 JLSCPEZWVVQFCS-XXBNENTESA-N 444.553 4.327 5 20 IIBD O=C(CN1CC=C(c2ccc(F)cc2)CC1)Nc1ccc([N+](=O)[O-])cc1Br 533215595 RFTVHGMWSFMWPK-UHFFFAOYSA-N 434.265 4.224 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1cccc(NC(=O)c2ccccc2)c1 533983608 DGQNWZFAQPPPPF-UHFFFAOYSA-N 428.448 4.187 5 20 IIBD Cc1ccc(C(=O)N2CCSCC2)cc1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534058155 SOUAXLSUOCLTCH-UHFFFAOYSA-N 438.509 4.359 5 20 IIBD O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CCC[C@@H]1Cc1ccccc1 536554990 CZSGUVKQZFPBFR-MRXNPFEDSA-N 436.249 4.047 5 20 IIBD O=C(C[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccccc1 537556111 PWDICQIHTWLLEZ-AWEZNQCLSA-N 442.415 4.040 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cccc(C[S@@](=O)C2CCOCC2)c1 539845211 DLUSBUTVPIFFKI-SSEXGKCCSA-N 430.526 4.200 5 20 IIBD CCN(CCC1CCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1)CC(C)C 540233900 VKRBSQOFWJUMNJ-UHFFFAOYSA-N 441.576 4.216 5 20 IIBD O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 540847522 VEQYVNFSICAXQU-GFCCVEGCSA-N 438.267 4.098 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@H](c2ccc(C(F)(F)F)cc2)C(C)C)cc1[N+](=O)[O-] 541142377 MTJGSJYKQGUOHR-KRWDZBQOSA-N 439.390 4.074 5 20 IIBD COc1cc(CN[C@H](C)c2nc(-c3cccc(F)c3)no2)c([N+](=O)[O-])cc1OC(F)F 541682894 BMAGGOXWNGJZQF-SNVBAGLBSA-N 438.362 4.245 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 542423555 GTLYPGYENRGZNY-WHZPGXNESA-N 449.532 4.365 5 20 IIBD COc1ccc(NC(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cc1[N+](=O)[O-] 542962899 KOFDNQSXMWZZPG-JTQLQIEISA-N 430.408 4.490 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)c1 544668181 LMOSHSHRLVWWCT-KRWDZBQOSA-N 441.509 4.225 5 20 IIBD CCc1ccc(OCc2nnc(Sc3ncc([N+](=O)[O-])cn3)n2Cc2ccccc2)cc1 544816054 SOEKMEVAZZLRQJ-UHFFFAOYSA-N 448.508 4.317 5 20 IIBD COc1ccccc1O[C@@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 553257774 PBDRELUGJRGIPV-GOSISDBHSA-N 428.488 4.374 5 20 IIBD C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 555871239 WWJTVHYCEQDYHR-GFCCVEGCSA-N 443.372 4.411 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c1 558806316 CCTVUIFVKCZYII-UHFFFAOYSA-N 449.866 4.277 5 20 IIBD CN(C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(Cl)cc1 558974173 XZRAURWXLXLAKU-MRXNPFEDSA-N 426.698 4.043 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)Nc1ccc2c(c1)OC(C)(C)O2)c1ccccc1[N+](=O)[O-] 561329298 UQCGGNPNCYCHGZ-MRXNPFEDSA-N 443.456 4.307 5 20 IIBD COc1ccc(CC(=O)Nc2cc(C(F)(F)F)ccc2-c2nc(C)no2)cc1[N+](=O)[O-] 562945356 RWPALALRYPJOEF-UHFFFAOYSA-N 436.346 4.162 5 20 IIBD O=C(Cc1noc(-c2ccc([N+](=O)[O-])cc2Br)n1)Nc1ccccc1Cl 565746180 SRKDVKKMEAHXCN-UHFFFAOYSA-N 437.637 4.242 5 20 IIBD O=[N+]([O-])c1cccc(Oc2ccc(-c3noc(-c4cncc(-n5ccnn5)c4)n3)cc2)c1 565918264 OJDRFYIMDANLAX-UHFFFAOYSA-N 427.380 4.080 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1nccn1-c1ccccc1 566935457 SJGJQRYWXGQDCJ-HNNXBMFYSA-N 426.498 4.010 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC(c2noc3cc(F)ccc23)CC1 568573459 HOPSBIFYUAXSQX-UHFFFAOYSA-N 435.415 4.081 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCCc2ccccc21 573411557 VCNINMFZOQKORH-LJQANCHMSA-N 428.510 4.400 5 20 IIBD O=C(Cc1noc(-c2cc([N+](=O)[O-])ccc2C(F)(F)F)n1)NCc1cccc(Cl)c1 577658369 GXESWCZHFKOACH-UHFFFAOYSA-N 440.765 4.176 5 20 IIBD Cc1ccc(-c2csc(NC(=O)C[C@H](C)NC(=O)C3CCCCC3)n2)cc1[N+](=O)[O-] 608934777 CIHQMYJWUINISZ-AWEZNQCLSA-N 430.530 4.440 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N(C)Cc3nnc4n3CCCCC4)c([N+](=O)[O-])c2)cc1 608972348 AXESCYTWNPFLOR-UHFFFAOYSA-N 434.500 4.110 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2cccc(OCc3ccccn3)c2)cc1SC 609126481 BJZYSXXLOOQBIW-UHFFFAOYSA-N 439.493 4.229 5 20 IIBD O=C(Cc1noc(-c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n1)NC1CCCCC1 609473690 HLOWUDGBFDYAMX-UHFFFAOYSA-N 435.484 4.248 5 20 IIBD CC[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 609626061 PYQLWBOGPGUFMF-HNNXBMFYSA-N 425.304 4.055 5 20 IIBD COc1ccc(CN2CC[C@H](NCc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C2=O)cc1 609677591 NBDGAXAYENGEMB-NRFANRHFSA-N 437.521 4.223 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCC1CCN(Cc2ccccc2)CC1 609730901 GTFHNPBWCNCCOL-UHFFFAOYSA-N 431.920 4.046 5 20 IIBD O=C(Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1)c1cc2c(s1)CCOC2 609816601 AQKRSVOSHPSWLO-UHFFFAOYSA-N 436.449 4.427 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1Br)N1CCC(Cc2ccccc2)CC1 609962161 YSMQTTPSLUCWDR-UHFFFAOYSA-N 433.302 4.217 5 20 IIBD COc1ccc2c(c1)C(=O)N(C)[C@H](c1ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c1)N2 726605837 XGLAKLHQHUTMOY-HSZRJFAPSA-N 449.463 4.387 5 20 IIBD COC(=O)c1coc(COC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 726632584 FWQWZKYBIOABDO-UHFFFAOYSA-N 443.795 4.216 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ncc(Cc3cccc(F)c3)s2)ccc1Cl 727250367 JGYVISVFEBSMFP-UHFFFAOYSA-N 427.866 4.235 5 20 IIBD O=C(c1cc2ccccc2cc1O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727329331 ULOLCDYKNLFZTJ-UHFFFAOYSA-N 445.397 4.435 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1csc(-c2ccccc2Cl)n1 727563938 VKLODIQPOMXFSV-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD Cc1nn2cc(CCCOC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)cnc2c1C 729200078 LVRTXEVPJPFLFE-UHFFFAOYSA-N 437.481 4.167 5 20 IIBD O=C(CCCCCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)Nc1ccc(F)c([N+](=O)[O-])c1 729827675 SKFXHQQZIXDVMQ-UHFFFAOYSA-N 436.371 4.309 5 20 IIBD C[C@H](OC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 731101410 VYCGPKRTLLBIRL-JTQLQIEISA-N 446.765 4.181 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 732291152 RTMWAIRHOZHXND-NRFANRHFSA-N 441.871 4.088 5 20 IIBD CC(C)c1cc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)on1 733834045 YCSFMBBNBHUYDH-LLVKDONJSA-N 430.442 4.014 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCc2cccc([N+](=O)[O-])c2)cc1 734043984 NYADDKUHSMLNRN-UHFFFAOYSA-N 426.450 4.061 5 20 IIBD COc1ccc([C@H](OC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)[C@@H](C)n2cccn2)cc1 734084385 QNTBESBIAJMWTO-OPAMFIHVSA-N 447.451 4.145 5 20 IIBD CN(CCNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C(=O)OC(C)(C)C 735368845 UCMXOWHBEIDUBQ-UHFFFAOYSA-N 430.461 4.376 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)cc2)nc1 740502015 AOZDTELZRAPYQN-UHFFFAOYSA-N 448.479 4.168 5 20 IIBD COc1ccc(C(=O)OCc2ncc(-c3ccc(Br)cc3)o2)cc1[N+](=O)[O-] 744493598 NQEOVOFMSGBLGI-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD O=C(O[C@@H](Cn1cncn1)c1ccc(Cl)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 744963830 OORHJDWPALAAFP-FQEVSTJZSA-N 441.875 4.038 5 20 IIBD CO[C@@](C)(C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccccc1 744977940 ZILYSGLIBFNZKL-CWTRNNRKSA-N 440.374 4.046 5 20 IIBD CC(C)C(=O)Nc1cccc(F)c1C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 745033904 KOKKFINZGXYAFF-GFCCVEGCSA-N 442.403 4.296 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 746263949 QKXIIIXRMUDTMK-FUHWJXTLSA-N 437.265 4.225 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Oc2cc(C(=O)N3CCSCC3)ccc2C)c1 749537309 MJQZIRLHYMQEDL-UHFFFAOYSA-N 432.523 4.033 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C 750112516 RQWIIYFPYKAERW-UXLLHSPISA-N 435.546 4.076 5 20 IIBD CC(C)c1cccc(O[C@@H](C)C(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)c1 750427725 OINKHNJOOPXFNF-KRWDZBQOSA-N 427.501 4.340 5 20 IIBD Cc1cc(C)cc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])c(Br)cc2F)c1 751691491 IQRCDKUXANCDBX-NSHDSACASA-N 439.237 4.297 5 20 IIBD Cc1ccc(-c2csc(NC(=O)COC(=O)c3c(F)ccc([N+](=O)[O-])c3F)n2)cc1 752559824 SAEXEDUULNQBJW-UHFFFAOYSA-N 433.392 4.100 5 20 IIBD O=C(OCc1ccn(-c2ccc(F)cc2F)n1)c1cccc([N+](=O)[O-])c1Br 753405833 NWRBMPWOKUQVGT-UHFFFAOYSA-N 438.184 4.178 5 20 IIBD Cc1noc(C)c1[C@H](C)CC(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 754294019 XZQUZXATGAAJPU-BXKDBHETSA-N 443.378 4.282 5 20 IIBD CCOc1cc(COC(=O)C2CCC(NC(=O)CC3CCCC3)CC2)ccc1[N+](=O)[O-] 755552348 BFYCSEZJASWQKH-UHFFFAOYSA-N 432.517 4.292 5 20 IIBD O=C(N[C@@H]1CCCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1)c1cc2ccccc2o1 755749089 BPJFALJJWDMNQJ-OAHLLOKOSA-N 442.859 4.421 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])N(Cc1ccccc1)C[C@H](O)c1cccs1 755757208 PCNBLIQEKXTBFJ-IBGZPJMESA-N 426.494 4.188 5 20 IIBD CC(C)(C)OC(=O)NCC1(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)CCCC1 757324963 SAPNPHGMBMNWRX-UHFFFAOYSA-N 445.472 4.378 5 20 IIBD COc1ccc(N(C)C(=O)c2cc([N+](=O)[O-])ccc2I)cc1Cl 757772346 JDPUWAKAFQXOOK-UHFFFAOYSA-N 446.628 4.138 5 20 IIBD Cc1c([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2Br)cnn1-c1ccc(F)cc1 757981827 IYXJTNJQPTZWAE-NSHDSACASA-N 447.264 4.482 5 20 IIBD O=C(Nc1ccccc1C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc([N+](=O)[O-])cc1Cl 761412107 GZHLGQRITSAFKC-CVAIRZPRSA-N 443.887 4.188 5 20 IIBD Cc1cnc(O)n1-c1ccc(-c2noc(-c3ccc([N+](=O)[O-])cc3Br)n2)cc1 761833141 IHFGEFSHSRDKJX-UHFFFAOYSA-N 442.229 4.274 5 20 IIBD Cn1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Br)c2ccc(Cl)cc2)n1 762488751 YGZGCISNIBBKII-KRWDZBQOSA-N 449.692 4.264 5 20 IIBD O=C(OCCOc1cccc([N+](=O)[O-])c1)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O 762931041 FMEDPLFFXRPDBS-UHFFFAOYSA-N 446.818 4.273 5 20 IIBD COc1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1ccc(Cl)c([N+](=O)[O-])c1 764592673 VWELLQGPSIICFC-UHFFFAOYSA-N 439.921 4.044 5 20 IIBD O=C1c2ccccc2N[C@H](c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N1c1ccc2c(c1)OCO2 765981968 MOCJGISJKYUUPO-FQEVSTJZSA-N 434.364 4.003 5 20 IIBD CS(=O)(=O)c1cc(C(=O)OCc2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)cs1 766489913 RIBQGTRRTSVFDN-UHFFFAOYSA-N 433.463 4.209 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 767251996 WJDIOTPUEPBFOG-LBPRGKRZSA-N 434.823 4.445 5 20 IIBD C[C@H](OC(=O)CSc1nccc2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 767419849 HZSFXTGDAMVYTM-LBPRGKRZSA-N 445.884 4.459 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)O[C@@H](C)C(=O)c2c[nH]c3ncccc23)CC1 767471956 LXZOWXXTKFLFNY-HNNXBMFYSA-N 436.468 4.136 5 20 IIBD CCc1c(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cnn1Cc1ccccc1 770330441 KWHLHSLLQZYPCJ-UHFFFAOYSA-N 429.274 4.417 5 20 IIBD CC[C@H](C)c1ccc(-c2nc(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCO4)no2)cc1 771056662 NVGIDXOVHVLZRJ-ZDUSSCGKSA-N 438.440 4.111 5 20 IIBD COc1cn(-c2ccccc2)nc1C(=O)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776135243 PMIZZDAIKWEOTD-QFIPXVFZSA-N 430.420 4.131 5 20 IIBD O=C(O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1ccn(-c2cccc([N+](=O)[O-])c2)n1 776136585 VZVOHAFSEJGITQ-NRFANRHFSA-N 445.391 4.030 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(COC(=O)c2c(C)nn(C)c2Cl)cc1OC 781660380 WCXRFFHGOCDJKB-LLVKDONJSA-N 425.869 4.081 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccc(Cl)cc1 781678694 UKZKNAMPXCCEEV-SNVBAGLBSA-N 441.665 4.045 5 20 IIBD O=C(Nc1ccn(Cc2ccccn2)n1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 783063387 HFTHEFGAOBTYJV-UHFFFAOYSA-N 429.436 4.066 5 20 IIBD CN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 785232227 HDPILUKXOQWYTN-UHFFFAOYSA-N 443.953 4.198 5 20 IIBD COc1ccc([C@H](NC(=O)COc2cc([N+](=O)[O-])ccc2Br)C2CC2)cc1 786743769 IBMRUILLRPFMEQ-LJQANCHMSA-N 435.274 4.012 5 20 IIBD CC(C)(C)OC(=O)N1CCc2cc(Nc3ccc([N+](=O)[O-])cc3S(C)(=O)=O)ccc21 786774807 OQPNMSSEELTHLN-UHFFFAOYSA-N 433.486 4.040 5 20 IIBD O=[N+]([O-])c1ccc(CNc2cccc(Oc3ncc(Br)cn3)c2)c([N+](=O)[O-])c1 789671452 HALHSLJBTZLGHX-UHFFFAOYSA-N 446.217 4.460 5 20 IIBD C[C@@H](NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 792837663 BDVVAEAURRZTAT-IEBWSBKVSA-N 440.500 4.004 5 20 IIBD CN(CC(=O)Nc1ccccc1N1CCCC1)c1cc(Br)ccc1[N+](=O)[O-] 795015138 NCWSSGLUVUZRAF-UHFFFAOYSA-N 433.306 4.032 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)c1=S 799157062 NYZXCAFIBRPXGI-QLIIJSOBSA-N 445.589 4.228 5 20 IIBD Cc1cncc(N(Cc2ccc(F)cc2)C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c1 799402408 QZGWSGCKMXZDFM-QFIPXVFZSA-N 434.427 4.164 5 20 IIBD O=C(O[C@@H]1CCO[C@H]([C@H]2CCOC2)C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 799625161 NSKPPJPFRBQRKC-FCEWJHQRSA-N 429.494 4.487 5 20 IIBD O=[N+]([O-])c1cc2c(Sc3nnc(-c4ccncc4)n3Cc3ccccc3)ncnc2s1 804338541 UMZKJOPZEHNKPG-UHFFFAOYSA-N 447.505 4.453 5 20 IIBD COc1cc(C(=O)OCC(=O)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])cc1OC(F)F 809143414 RMGJOPYBARYBQM-UHFFFAOYSA-N 449.284 4.263 5 20 IIBD O=C(NCC1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1)OCc1ccccc1 809918831 PTJVCZGNVZHXDG-UHFFFAOYSA-N 446.891 4.419 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(Cn2c(Br)cccc2=O)cc1OC 809977635 NFYGZKWCEFLZLC-LBPRGKRZSA-N 425.279 4.001 5 20 IIBD CC[C@@H]1[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCN1C(=O)OC(C)(C)C 812910583 KBAGHEDDHIKAJW-TZMCWYRMSA-N 429.420 4.170 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)C1 814432781 TWYCIHLGFHCZSI-OALUTQOASA-N 431.533 4.023 5 20 IIBD C[C@H](Nc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1)c1ccc(N)c([N+](=O)[O-])c1 815616793 YHGRCFNVAJYMTG-AWEZNQCLSA-N 430.509 4.119 5 20 IIBD O=C(OCC[C@@H](c1ccccc1)C(F)(F)F)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 816475210 YMELQUACQMFDJB-LSDHHAIUSA-N 440.374 4.072 5 20 IIBD COc1ccc(CN(C)C(=O)[C@@H](C)Sc2nc3ccc([N+](=O)[O-])cc3s2)cc1OC 827007040 YLRLOVBFRYOPNU-GFCCVEGCSA-N 447.538 4.361 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1-c1nc(-c2ccc3c(c2)CCO3)no1 904685618 JJQNVLYSDZTPOX-UHFFFAOYSA-N 449.204 4.160 5 20 IIBD CCOc1cc([N+](=O)[O-])c(-c2nc([C@H]3CCCN3C(=O)OC(C)(C)C)no2)cc1OC 904707603 VJHLPXAUFUNMCB-CYBMUJFWSA-N 434.449 4.124 5 20 IIBD Cc1noc(C)c1CN(C)C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 915195194 MLHRTNMJMBZTJY-UHFFFAOYSA-N 442.859 4.378 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1cccc(CS(=O)(=O)c2ccccc2)c1 916042884 ILLMQRABPLHTLY-UHFFFAOYSA-N 432.404 4.099 5 20 IIBD O=[N+]([O-])c1nn(CN2CCC[C@H]2c2ccc(Br)cc2)cc1Br 917616809 RYUBZAJVWBWCLI-ZDUSSCGKSA-N 430.100 4.111 5 20 IIBD C[C@@H](OC(=O)c1cnn(-c2ccc(Cl)cc2)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 919377696 NOZNXYSBVPRKFW-GFCCVEGCSA-N 439.815 4.402 5 20 IIBD C[C@@H](OC(=O)c1cccn1Cc1cccs1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 919622685 ZRDCIEWICFXJDP-GFCCVEGCSA-N 433.873 4.344 5 20 IIBD Cn1c(COc2ccccc2Cl)nn(CN2CCc3ccc([N+](=O)[O-])cc32)c1=S 919948009 RGFDRQVBCIDWSO-UHFFFAOYSA-N 431.905 4.112 5 20 IIBD Cc1nccn1-c1ncccc1NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 919986606 WYIGICTULFVDBK-HNNXBMFYSA-N 443.467 4.304 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1116236737 IIHBNJVBUXTDFQ-LLVKDONJSA-N 447.264 4.393 5 20 IIBD O=C1[C@H](NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CCCN1CC(F)(F)F 1319341931 SJHKIXRFHWBECM-CQSZACIVSA-N 431.798 4.151 5 20 IIBD Nc1c(C(=O)NCc2nc3cc(Cl)ccc3s2)cc(Br)cc1[N+](=O)[O-] 1327145823 RCWIFAZHUZTFFC-UHFFFAOYSA-N 441.694 4.133 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1 1327168636 RYFJOYXZBLCNAZ-QFIPXVFZSA-N 433.512 4.101 5 20 IIBD O=C(N[C@@H]1COc2c(F)cc(F)cc2C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 1336190850 QMZYFQHXWPTXSR-KRWDZBQOSA-N 440.402 4.186 5 20 IIBD CCCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc([N+](=O)[O-])o2)cc1 1793276806 FLCLJDYXGCTABM-OASDFDIOSA-N 437.496 4.106 5 20 IIBD O=C(/C=C/c1ccsc1)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823610900 QZAWTGFGEHKNLN-MJICGBHWSA-N 443.525 4.196 5 20 IIBD O=C(c1cccc(F)c1[N+](=O)[O-])N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CC=CCC2)CC1 1824105809 RRQKTSPPODCHDO-NQIIRXRSSA-N 443.519 4.324 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)C)CC1 1826405583 DYIOOXOSSPTYOH-IBGZPJMESA-N 433.524 4.322 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC2CC2)CC1 1830729049 HISVCXFAXKBQNU-FQEVSTJZSA-N 431.508 4.076 5 20 IIBD CC[C@@H](C)[C@@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 1847208753 SUWXNNSLRQGEDX-CSILHSIFSA-N 449.551 4.169 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc1[N+](=O)[O-] 10578062 GHYNNRVRKHTFPA-UHFFFAOYSA-N 427.442 4.274 5 20 IIBD CC(C)OCc1c(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)oc2ccccc12 10915188 VVVVORCWDGXHTI-UHFFFAOYSA-N 427.409 4.490 5 20 IIBD COc1cc(CCNC(=O)c2cc3c(s2)-c2ccccc2OC3)c([N+](=O)[O-])cc1OC 11080563 VWEYUUBQJWYLEW-UHFFFAOYSA-N 440.477 4.205 5 20 IIBD O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 15767402 YBCAUCJDRWFWDO-UHFFFAOYSA-N 427.810 4.225 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)CCCc1ccc(Br)s1 16257144 LZVOUOSKLWWUSP-UHFFFAOYSA-N 441.303 4.232 5 20 IIBD O=C(Nc1cccc(-n2cnnn2)c1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 24016221 HEHJJRKRYQJISJ-UHFFFAOYSA-N 436.815 4.269 5 20 IIBD C[C@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 24970038 KWJKPHHRVKLYRL-ZDUSSCGKSA-N 434.477 4.114 5 20 IIBD CSc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1[N+](=O)[O-] 25964967 LJWGDRRPTHCDGN-UHFFFAOYSA-N 425.432 4.298 5 20 IIBD COC(=O)c1ccc(OCc2csc(-c3ccc(OC)c(OC)c3)n2)c([N+](=O)[O-])c1 26270727 GVZRLCXVYUBIPO-UHFFFAOYSA-N 430.438 4.101 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCCOc3ccccc3F)cc2[N+](=O)[O-])n1 31247584 NTFHRXKGMSQFDE-UHFFFAOYSA-N 433.486 4.459 5 20 IIBD CC(C)CN1CCO[C@H](CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 32268136 LGUYEBFOTACASR-LJQANCHMSA-N 447.919 4.127 5 20 IIBD O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl 36676825 XKXJSNAUCDJRNL-UHFFFAOYSA-N 440.872 4.108 5 20 IIBD Cc1nn(CCC(=O)N[C@H](Cc2cccc(F)c2)c2cccc(F)c2)c(C)c1[N+](=O)[O-] 60365217 LLZCCBAFXWQEQW-HXUWFJFHSA-N 428.439 4.177 5 20 IIBD O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1)c1ccc([N+](=O)[O-])o1 60475776 IODCXPAVEFKVSS-INIZCTEOSA-N 431.901 4.432 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(C(=O)c2ccc(Cl)cc2)CC1 60482665 MQDWGNZNASHDQH-UHFFFAOYSA-N 429.904 4.480 5 20 IIBD Cc1cc(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 60860153 VQFLEINGGPRNAE-UHFFFAOYSA-N 449.486 4.032 5 20 IIBD Cc1ccc(-c2nnc(NC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)s2)c(C)c1 65085913 AXTKPEPVOIFRDQ-UHFFFAOYSA-N 434.481 4.383 5 20 IIBD C[C@@H]1CN(c2ccc(CNCc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)cn2)CCO1 237596020 QABHDBRAWAUPNT-OAHLLOKOSA-N 442.903 4.418 5 20 IIBD C[C@H](NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1nnc2ccccn12 237609710 BBVHZXLHMWQSFT-KRWDZBQOSA-N 439.479 4.341 5 20 IIBD O=C(c1cc(NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)ccc1[N+](=O)[O-])N1CCCC1 301131380 VCIPMAQUYLBKQJ-OAHLLOKOSA-N 430.455 4.047 5 20 IIBD Cc1ccc(-n2c(Sc3nc4sccn4c3[N+](=O)[O-])nnc2-c2ccccn2)cc1 301660903 COJCSYFCZCTLME-UHFFFAOYSA-N 435.494 4.406 5 20 IIBD O=C(Nc1ccccc1)C1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 302168712 KVQDNUZNZIADAN-UHFFFAOYSA-N 432.480 4.424 5 20 IIBD Cc1nsc(C)c1-c1noc(-c2cc([N+](=O)[O-])cc(I)c2C)n1 426614918 IIDGOLWDEZWADV-UHFFFAOYSA-N 442.238 4.298 5 20 IIBD CC(C)[C@H](NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C(=O)O 427319699 HFMIUXLHFKRICQ-HFZJLKNISA-N 439.493 4.361 5 20 IIBD CCN(CC(=O)O)C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 431455288 BDCVPFLHBZGELK-PTNGSMBKSA-N 425.466 4.068 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc3c(c2)ncn3-c2ccccc2)cc1[N+](=O)[O-] 431742541 LNKQHAIAJBSXTP-INIZCTEOSA-N 443.463 4.058 5 20 IIBD CC(C)c1[nH]nc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1[N+](=O)[O-] 434187879 ULHXJADYZJVROO-CYBMUJFWSA-N 444.879 4.165 5 20 IIBD CCN(C(=O)Cc1ccc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1)c1ccccc1 434224475 BOJWLUAQWLIQCT-UHFFFAOYSA-N 435.484 4.289 5 20 IIBD COC(=O)COc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1Cl 437089511 BQFJAYPONAGUJK-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)Nc2ccc(OC(C)C)cc2F)cc1[N+](=O)[O-] 438776152 HXLJJFIFPMOOKB-UHFFFAOYSA-N 447.282 4.393 5 20 IIBD Cc1nc(NC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)ccc1[N+](=O)[O-] 440404860 GNXHADRPQOOBHQ-UHFFFAOYSA-N 445.229 4.158 5 20 IIBD COc1cc(CNc2ccc3nc(O)n(C)c3c2)c([N+](=O)[O-])cc1OCc1ccccc1 442967023 NBSWGKYBDFQXCO-UHFFFAOYSA-N 434.452 4.387 5 20 IIBD COc1ccccc1C[C@@H](C)N(C)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 443926938 YMXUEDYYVXUFOC-CYBMUJFWSA-N 426.391 4.248 5 20 IIBD C[C@@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)[C@H]1CCCN(C2CCC2)C1 444306608 WXZPCVWWAGJRQJ-CABCVRRESA-N 439.506 4.342 5 20 IIBD CC(=O)N1CCN(c2ccc(-c3nc(-c4cc5cc(C)ccc5o4)no3)cc2[N+](=O)[O-])CC1 445748526 IVJMQSMLUQPYIU-UHFFFAOYSA-N 447.451 4.035 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CCc2[nH]c3ccc(Cl)cc3c2C1 447809932 DXMGAXSYRNTQEX-UHFFFAOYSA-N 426.904 4.124 5 20 IIBD CC(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 460862630 PJZUJQJKVFWDSH-UHFFFAOYSA-N 430.512 4.408 5 20 IIBD C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCCO2)[C@H]2CCCC[C@H]12 461882972 XLDUBDIDAJVTEM-RCOXNQKVSA-N 425.533 4.437 5 20 IIBD C[C@@H](c1ccsc1)N1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 463096670 HVQYJKOXRCUWPP-SFHVURJKSA-N 431.561 4.122 5 20 IIBD COc1ccccc1[C@H](NC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)c1ccccc1 464025847 QTSWOITUHFRACM-JOCHJYFZSA-N 433.464 4.065 5 20 IIBD COc1cc(C(=O)Nc2ccc(F)c(Br)c2)c([N+](=O)[O-])cc1OC(F)F 464969475 BKVYVURKEGTYNA-UHFFFAOYSA-N 435.152 4.359 5 20 IIBD C[C@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 465223993 WRAKHINJHBJWCH-AWEZNQCLSA-N 447.417 4.479 5 20 IIBD O=C(NCCCNC(=O)C1CCC1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 466534200 NQGMZWWQRHKQJZ-UHFFFAOYSA-N 447.944 4.436 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc(CC(=O)N2CCc3ccccc32)cc1 467981217 FFTMAOBHRJSKTA-UHFFFAOYSA-N 444.491 4.091 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(S(=O)(=O)C(C)(C)C)cc2)cc1SC 468067931 GWBOOAUOFNIMQA-UHFFFAOYSA-N 438.527 4.150 5 20 IIBD COc1cc(C(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)ccc1[N+](=O)[O-] 468585360 KZTKUHGGZATTJH-MRXNPFEDSA-N 434.290 4.083 5 20 IIBD Cc1ccc(OCc2nc(CC(=O)Nc3ccc4cc([N+](=O)[O-])ccc4n3)cs2)cc1 469202552 ZVFAHCGLDACIEV-UHFFFAOYSA-N 434.477 4.668 5 20 IIBD CN(C)[C@@H](CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 469566491 FBRKSCUYRPDHGY-FQEVSTJZSA-N 447.461 4.407 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ncc(-c2cccs2)[nH]1 472557833 FXMCYBKDEXULQD-UHFFFAOYSA-N 439.419 4.184 5 20 IIBD COc1ccc(CNC(=O)C(=O)Nc2ccc(Oc3cc(C)cc(C)c3)cc2)cc1[N+](=O)[O-] 473233129 HOUUCBPTUQJYPT-UHFFFAOYSA-N 449.463 4.267 5 20 IIBD COc1ccc2c(c1OC)CCN(C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C2 475240078 XYXWBSIZIBLXHN-UHFFFAOYSA-N 425.363 4.221 5 20 IIBD Cc1ccc(C(=O)N[C@H](CO)c2ccc(Br)cc2C(F)(F)F)cc1[N+](=O)[O-] 478492059 NCHFDGYTTJVKFQ-CQSZACIVSA-N 447.207 4.148 5 20 IIBD CCCN(CCC)C(=O)c1ccc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc1 480240664 LPPQYNWKYPTGRT-UHFFFAOYSA-N 433.530 4.275 5 20 IIBD CCn1c(SC[C@@H](O)COc2cc(C)cc(C)c2)nnc1-c1ccc([N+](=O)[O-])cc1 480383740 MJZMWNDIKHFJBW-SFHVURJKSA-N 428.514 4.022 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)N1CCOc2cc(Br)c(Cl)cc21 482163090 JYHQDVGWDNZFHM-UHFFFAOYSA-N 427.638 4.059 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)c(OC)cc1OC 484654039 MAHMVSVGLYLTJU-UHFFFAOYSA-N 426.878 4.256 5 20 IIBD COc1ccc(NC(=O)c2ccccc2NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 484832903 GHCSOBJWNVKYLP-UHFFFAOYSA-N 434.452 4.215 5 20 IIBD Cc1ccc([C@H](CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C(=O)O)cc1 486395251 OJPXUJOOYAAKPA-FQEVSTJZSA-N 433.464 4.114 5 20 IIBD COc1cc(C(=O)N(C)CCN2CCCC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 487506507 GICNKZMYQDDQLJ-UHFFFAOYSA-N 433.892 4.217 5 20 IIBD COc1ccc(CNC(=O)c2cc(C)nc3cc(Br)ccc23)cc1[N+](=O)[O-] 491269152 ZXMAXONAYWEFGU-UHFFFAOYSA-N 430.258 4.153 5 20 IIBD O=C(NCCNc1cccc(Br)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 491471514 YQIUPJYXYIAAFX-UHFFFAOYSA-N 432.196 4.218 5 20 IIBD C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)Cn1ccnc1 495497949 VXGDVEJJTGIOLF-HNNXBMFYSA-N 427.892 4.123 5 20 IIBD CCn1nc(C)c(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)c1C 496933941 JLUHRURJNHPDCQ-UHFFFAOYSA-N 445.526 4.218 5 20 IIBD COC(=O)[C@H]1C[C@@H](OC)CCN1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 497245397 DZVLHRLEGWVMIC-MAUKXSAKSA-N 434.876 4.193 5 20 IIBD CC(C)Cc1ccc(C(=O)C2CCN(c3cccc(S(C)(=O)=O)c3[N+](=O)[O-])CC2)cc1 497537673 UYCVDMBYWGQPRW-UHFFFAOYSA-N 444.553 4.296 5 20 IIBD COc1ccc(C(=O)NCC(=O)N2CCCC[C@H]2c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] 497894201 ZNUZOMFESRQALH-FQEVSTJZSA-N 439.512 4.210 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1[N+](=O)[O-] 498278774 KNASWUOXVXMDNR-QGZVFWFLSA-N 425.533 4.230 5 20 IIBD C[C@@H]1C[C@@H](C)CN(CCCCNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 498398878 QDFAAWOGTOOCJA-HUUCEWRRSA-N 431.455 4.024 5 20 IIBD NC(=O)c1ccc(SCC(=O)NC2(c3ccc(F)cc3F)CCCCC2)c([N+](=O)[O-])c1 498794672 ZDQDAEAZJLHVCO-UHFFFAOYSA-N 449.479 4.040 5 20 IIBD Cc1ccccc1CNc1ccccc1NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 499137148 UFLUVSUQJFRFEU-QGZVFWFLSA-N 432.480 4.272 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 499457209 OUROLWRUJAXUSU-UHFFFAOYSA-N 431.374 4.002 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)Nc2ccc(S(=O)(=O)NCCC(C)C)cc2)cc1[N+](=O)[O-] 500049077 KOHRBSGUSRIWIY-MRXNPFEDSA-N 448.545 4.110 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)cc1 502329059 DCNDLSRLLIXCJP-OAQYLSRUSA-N 435.505 4.328 5 20 IIBD O=C(N[C@H]1CCOc2c(-c3ccccc3)cccc21)c1cc2c(cc1[N+](=O)[O-])OCCO2 505139087 LBEYSYHCYNZWMQ-IBGZPJMESA-N 432.432 4.287 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@@H](COCC(C)C)c3ccco3)cc2)c(C)c1[N+](=O)[O-] 505281074 YGCHYUCXEYJONL-FQEVSTJZSA-N 440.500 4.193 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@H](c2cccs2)N(C)C)cc1[N+](=O)[O-])c1ccccn1 505997017 RKNFAGFPONLCQE-MGPUTAFESA-N 439.541 4.257 5 20 IIBD CC(C)Cc1ccc([C@H](NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C2CC2)cc1 506262421 DQUSKNYIZPGWRF-QFIPXVFZSA-N 441.553 4.252 5 20 IIBD O=[N+]([O-])c1cccc(OC[C@H](O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c1 508552540 NFHAXBZJLGNDCM-FQEVSTJZSA-N 448.504 4.375 5 20 IIBD COc1cc(CCNC(=O)c2cccc(OCc3cccs3)c2)c([N+](=O)[O-])cc1OC 509069770 PVABYBDPCXBAKM-UHFFFAOYSA-N 442.493 4.225 5 20 IIBD Cc1sc(NC(=O)[C@H](C)NC(=O)CC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 509536839 DIOQRBXWVPSXJH-ZDUSSCGKSA-N 430.530 4.440 5 20 IIBD CC[C@@H](C(=O)OC)N(C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)c1ccccc1 509981101 FNSHRNPZIDBBSJ-FQEVSTJZSA-N 439.512 4.430 5 20 IIBD O=C(c1c(F)cccc1F)N1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 512236665 JPUXAKYCVZMAED-UHFFFAOYSA-N 427.407 4.091 5 20 IIBD C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)CSc2ccccc2[N+](=O)[O-])C1 513029191 JCBMOUFBGAEFIN-HOTGVXAUSA-N 427.526 4.444 5 20 IIBD CC(C)CCSc1ccc(C(=O)NCc2nncn2-c2ccccc2)cc1[N+](=O)[O-] 513528893 QQNGPGITHKNUEV-UHFFFAOYSA-N 425.514 4.244 5 20 IIBD COc1ccc(C2=NN(C(=O)COc3ccc([N+](=O)[O-])cc3F)[C@H](c3ccco3)C2)cc1 515588030 OAKUSFYGBQXONX-IBGZPJMESA-N 439.399 4.092 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Sc2nccn2C)c([N+](=O)[O-])c1 518672798 FGGYHZGETFUQDP-UHFFFAOYSA-N 438.918 4.242 5 20 IIBD Cc1cc(COc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Br)no1 519146641 IHMGHXBESQUESZ-UHFFFAOYSA-N 432.230 4.485 5 20 IIBD COc1ccc(CC[C@H]2CCCCN2C(=O)CCOc2ccccc2[N+](=O)[O-])cc1OC 523172949 APBUNYCWCWVYBN-LJQANCHMSA-N 442.512 4.395 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 523732292 ZEVFRNRNDNSRCS-JGFSIVIASA-N 431.297 4.186 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N[C@@H]3CCC[C@H](S(C)(=O)=O)C3)cc2[N+](=O)[O-])cc1 525384060 NRMOJSFBDFMVDB-AEFFLSMTSA-N 448.566 4.140 5 20 IIBD CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] 532902801 JWOPDHPCDCPLLI-UHFFFAOYSA-N 442.303 4.239 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(C[S@@](=O)Cc3ncc(-c4ccccc4F)o3)co2)cc1 534063172 QLWDKAFUUULHKX-SSEXGKCCSA-N 427.413 4.493 5 20 IIBD Cc1ccc([C@@H](C)NCC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] 537178576 OZPHGHKLLAJLMR-KGLIPLIRSA-N 425.407 4.330 5 20 IIBD Cc1cc(COc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cc2Br)no1 538870518 KSSKAQQFNLDNFL-UHFFFAOYSA-N 448.229 4.191 5 20 IIBD Cc1ccccc1Cn1c(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)nc2ccccc21 540007032 OPNPINCQXOUDDF-UHFFFAOYSA-N 432.484 4.143 5 20 IIBD Cn1ccnc1[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(F)c1 541263844 LICAQWTZIFIFKJ-GOSISDBHSA-N 434.880 4.119 5 20 IIBD Cc1nc([C@@H]2CCCN(Cc3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)C2)n[nH]1 543621189 HJFHSLXZMWEOQB-LJQANCHMSA-N 443.511 4.254 5 20 IIBD Cc1cc(OCc2ccccc2)ccc1NC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 543882024 AESLKJASZHROKI-UHFFFAOYSA-N 433.464 4.159 5 20 IIBD O=C(Nc1cccc(-c2noc(-c3cc(O)nc4ccc([N+](=O)[O-])cc34)n2)c1)C1CCC1 544948220 BVCYFTLOHQRSNH-UHFFFAOYSA-N 431.408 4.304 5 20 IIBD CC(C)(C(=O)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1)c1ccc([N+](=O)[O-])cc1F 546540598 ZASQALWFQQVYFZ-ZDUSSCGKSA-N 428.386 4.091 5 20 IIBD CS(=O)(=O)c1cccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)c1[N+](=O)[O-] 555268204 IKSINNYFWPGPLP-UHFFFAOYSA-N 444.431 4.281 5 20 IIBD CCc1cc(=O)c2cc(NC(=O)c3cc([N+](=O)[O-])cc(Br)c3C)ccc2[nH]1 555929501 CLMFLLXHOCQNIN-UHFFFAOYSA-N 430.258 4.322 5 20 IIBD Cc1ccc(NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1C(F)(F)F 556549088 SPWOGYWAAPWIAV-UHFFFAOYSA-N 446.179 4.262 5 20 IIBD CCOC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c(F)cc1C 560141645 HWPHXZUGDURHIB-UHFFFAOYSA-N 425.210 4.234 5 20 IIBD CC(=O)c1cc(N2CCN(Cc3cc(Br)ccc3F)CC2)ccc1[N+](=O)[O-] 566395836 MOWAFZHMCJUQDD-UHFFFAOYSA-N 436.281 4.021 5 20 IIBD COc1cc(Cc2noc(-c3cnc4c(F)ccc(F)c4c3)n2)c([N+](=O)[O-])c(OC)c1 566929108 GBHRFNVHECQKHB-UHFFFAOYSA-N 428.351 4.079 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(Oc2cncc(-c3ccccc3)c2)c([N+](=O)[O-])c1 567410567 WQOUXOMLWQHQNU-UHFFFAOYSA-N 427.482 4.480 5 20 IIBD CN(CCC(F)(F)F)[C@@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])c1ccc(Cl)cc1 571901029 DAUYORWHBMJSJZ-INIZCTEOSA-N 444.841 4.385 5 20 IIBD O=C1CCC(=O)N1c1cc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)ccc1F 573140412 NIMRUWQXZIASNB-UHFFFAOYSA-N 426.429 4.123 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@@](CO)(C(C)C)C2)cc1 582806212 GOACPRZMMIGLHP-HSZRJFAPSA-N 428.485 4.266 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCc1cc(Br)ccc1F 583106042 AJYQNMAEKJCKNZ-UHFFFAOYSA-N 431.645 4.235 5 20 IIBD CCOc1ccc(Br)cc1NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 583722327 RCKISDYJXKCBOH-UHFFFAOYSA-N 436.262 4.183 5 20 IIBD CC1(C)C[C@@H](NCc2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)c2cc([N+](=O)[O-])ccc21 585765422 BUNFHHKMENBYDF-BWKNWUBXSA-N 448.523 4.332 5 20 IIBD C[C@H]1CN(CCCNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 591659710 RPCAHBPLMMMEDR-BGYRXZFFSA-N 449.555 4.036 5 20 IIBD COc1ccc(C[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)c2ccc(OC)cc2)cc1 603565704 PIYXGIMQHOFDKH-HSZRJFAPSA-N 436.464 4.091 5 20 IIBD O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 603780525 QWYBPMSTJUSSPO-UHFFFAOYSA-N 429.420 4.405 5 20 IIBD O=C(c1cc(Cl)cc(Cl)c1)N1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 603845614 AAGSJAZFYFGKMJ-UHFFFAOYSA-N 431.279 4.412 5 20 IIBD Cc1c(C(=O)N(Cc2cccnc2)c2ccc(Cl)cc2)nnn1-c1cccc([N+](=O)[O-])c1 603964086 QXSNAOHMSMSRIS-UHFFFAOYSA-N 448.870 4.379 5 20 IIBD O=C(NCc1ccccc1OCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 604144747 AIKYVBWCHOQBQJ-UHFFFAOYSA-N 439.855 4.082 5 20 IIBD O=C(Nc1nc2c(s1)CCN(Cc1ccccc1)C2)c1cc2cccc([N+](=O)[O-])c2[nH]1 604258373 FJMZOQODFMWJIY-UHFFFAOYSA-N 433.493 4.343 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NCc1cccc([N+](=O)[O-])c1 604470534 JYSMETXYBPNYJC-UHFFFAOYSA-N 430.439 4.446 5 20 IIBD O=C(N[C@H]1CCOc2c(-c3ccccc3)cccc21)c1cc([N+](=O)[O-])cc2c1OCCO2 608942439 UFXHJJOMRMLSFM-FQEVSTJZSA-N 432.432 4.287 5 20 IIBD COc1ccc(CC(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1[N+](=O)[O-] 609016272 NGYDTQHFRIPPTR-UHFFFAOYSA-N 429.860 4.347 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CCC[C@@H](Cc2ccccc2)C1 609277420 SFESLWPTJSCNGO-HNNXBMFYSA-N 439.331 4.001 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3ccc4c(c3)C(=O)NCC4)cc2[N+](=O)[O-])n1 609758550 SDQFMGKIIICQAE-UHFFFAOYSA-N 440.506 4.049 5 20 IIBD C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c2ccccc2S1 609986724 XMWXXMGMECNCBH-LLVKDONJSA-N 443.344 4.437 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1OCC1CCOCC1 610156622 WKAZSBNSHYDPSH-UHFFFAOYSA-N 440.905 4.163 5 20 IIBD CC(C)(C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccc2ccccc2c1 610233392 OXWZFFQWOHICJY-UHFFFAOYSA-N 431.492 4.010 5 20 IIBD COc1ccc(CNC(=O)Nc2cc(Br)c(F)cc2Cl)cc1[N+](=O)[O-] 610585627 XPXFMGGUZHOWLV-UHFFFAOYSA-N 432.633 4.480 5 20 IIBD O=C(Nc1ccc(-c2nc3ccccc3s2)cn1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 610586406 HTRRWARTCFKTIO-UHFFFAOYSA-N 443.448 4.100 5 20 IIBD Cc1nn(C)cc1[C@@H]1CCCN1C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 610729399 MGRAVFVBKONIOI-IERDGZPVSA-N 434.500 4.182 5 20 IIBD CCN(Cc1ccoc1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 610937364 SZTDOFLEZCOWGD-UHFFFAOYSA-N 431.495 4.388 5 20 IIBD CC(=O)N[C@H]1Cc2ccccc2N(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 611207477 PXHYJAIXTZGLLX-KRWDZBQOSA-N 439.537 4.337 5 20 IIBD CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 672790953 NXKJMPYIANKIDZ-LJQANCHMSA-N 447.485 4.306 5 20 IIBD Cc1nn(CCC(=O)OCCOc2c(Cl)cc(Cl)cc2Cl)c(C)c1[N+](=O)[O-] 726735328 DSLUVQJPUIQZNI-UHFFFAOYSA-N 436.679 4.381 5 20 IIBD COc1ccccc1C(=O)Nc1ccc(OC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 727661837 GXDKMNZDJCMNTE-UHFFFAOYSA-N 436.420 4.012 5 20 IIBD O=C(Nc1nc2c(s1)CCN(Cc1ccccc1)C2)c1cc(F)c(F)cc1[N+](=O)[O-] 727708790 IRWCXQYMRAUXFO-UHFFFAOYSA-N 430.436 4.140 5 20 IIBD CC(=O)N(c1nc(COC(=O)c2cc(F)cc([N+](=O)[O-])c2)cs1)c1ccccc1F 731529394 ZJGGVWKHPKMYES-UHFFFAOYSA-N 433.392 4.371 5 20 IIBD COc1ccc(-c2nc(Cc3noc(-c4ccc(-n5ccnc5)c([N+](=O)[O-])c4)n3)co2)cc1 731792420 NMABGPRIRZOBLD-UHFFFAOYSA-N 444.407 4.085 5 20 IIBD Cc1cc(OCCOC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)ccc1C(C)C 733558485 UWCPTCUOHYCYJE-SFHVURJKSA-N 446.525 4.315 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 735367808 BKEIWFGJGUWBJQ-UHFFFAOYSA-N 438.396 4.496 5 20 IIBD CC1(C)[C@@H](OC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)[C@H]2CCO[C@H]21 739367730 VSEQJMSNUAFJQS-JQAFLVLXSA-N 426.256 4.058 5 20 IIBD Cc1ccc([C@H](O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 743259286 VDFQWFHRPKMVLF-OAQYLSRUSA-N 446.912 4.486 5 20 IIBD Cc1ccc(N2CCCC2)c(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 745054323 XXNSRYGPXJBYME-AWEZNQCLSA-N 431.876 4.341 5 20 IIBD CC(C)(C)OC(=O)NC1(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCC1 746850460 MGDHENIVNPTWIZ-UHFFFAOYSA-N 432.502 4.494 5 20 IIBD O=C(COC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccc(F)cc1)c1cccs1 747843054 MFRMAPAVQDCEKY-ABDOIKBISA-N 440.452 4.258 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N2CCC[C@@H]2CC(C)C)cc1 748764549 LXDPQFPNFSKRFB-GOSISDBHSA-N 446.525 4.322 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1cccs1 749410977 SJHGIUFIIMGTOS-SNVBAGLBSA-N 447.694 4.106 5 20 IIBD CCc1ccc(NC(=O)c2nnc(COC(=O)c3cccc(Cl)c3[N+](=O)[O-])s2)cc1 750540990 KOORJLVHKDDCOW-UHFFFAOYSA-N 446.872 4.271 5 20 IIBD Cc1ccc(NCCCNC(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)c([N+](=O)[O-])c1 751097074 MNEOIPHBVXKCCF-LPHOPBHVSA-N 432.546 4.064 5 20 IIBD O=C(N[C@@H](c1ccccc1)c1ccccn1)c1cc(F)cc([N+](=O)[O-])c1Br 754628991 HKHVWHGRMAWGFH-SFHVURJKSA-N 430.233 4.411 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@H](COCc2ccccc2)C1 755029306 QWMYKRDNOINRNF-HNNXBMFYSA-N 434.290 4.428 5 20 IIBD CC(C)(C)OC(=O)N(CC1CC1)C1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 755447936 KODYEMSOGIKQND-UHFFFAOYSA-N 431.533 4.166 5 20 IIBD CCOc1cc(COC(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)ccc1[N+](=O)[O-] 755510621 MPSXNTXMFLETMA-JOCHJYFZSA-N 434.448 4.208 5 20 IIBD Cc1cc(Cl)ccc1NC(=O)COC(=O)Cc1ccc([N+](=O)[O-])cc1Br 756529808 UMUKOLRQLSUNQY-UHFFFAOYSA-N 441.665 4.044 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NCC1(c2cccc(Cl)c2)CCOCC1 756929160 PTHWKGNBVJROKH-UHFFFAOYSA-N 438.311 4.449 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2cc([N+](=O)[O-])ccc2Cl)nc1 756975257 PTSLCRNYIIPEOL-UHFFFAOYSA-N 446.916 4.471 5 20 IIBD COc1cc(C(=O)O[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)ccc1O 757096183 VUDNQTNVYOKUFX-NRFANRHFSA-N 436.420 4.154 5 20 IIBD COc1cc(N2CCC(OC(=O)c3cncc(-c4ccccc4)c3)CC2)ccc1[N+](=O)[O-] 757897482 SGUZNNOTIGYBSA-UHFFFAOYSA-N 433.464 4.491 5 20 IIBD Cc1ccccc1-c1nc(COC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)no1 761045235 RIFKKQGNVLJWFN-UHFFFAOYSA-N 447.451 4.172 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])OCc1nc(O)c2ccc(C(F)(F)F)cc2n1 761766405 ATJSIFXQEUHZKY-UHFFFAOYSA-N 439.371 4.098 5 20 IIBD CC(C)c1cccc(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)n1 761987722 SQFHMAHDPPPCIQ-SFHVURJKSA-N 425.485 4.355 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 762992032 YASKUCLIKNAJPW-WIYYLYMNSA-N 427.501 4.297 5 20 IIBD O=C1OC[C@@H](COC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)O1 763875327 IVQHPPZHDFHMLY-LLVKDONJSA-N 432.435 4.048 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 765408003 POQOYYDEPRNSDY-RBUKOAKNSA-N 433.549 4.269 5 20 IIBD O=C(Nc1ccccc1)c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 766459448 MQOPXXJCAWZJBN-UHFFFAOYSA-N 449.444 4.163 5 20 IIBD Cc1cn(-c2ccccc2Cl)nc1C(=O)O[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 767066397 WAIACJRRHYJXOE-LBPRGKRZSA-N 446.822 4.065 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(COCCOc3ccccc3)c2)cs1 768866660 AFOJRYWGZKEKHR-UHFFFAOYSA-N 434.495 4.053 5 20 IIBD CCCCn1ncc(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)c1C 772436732 OMVZNXLPILCMLX-LJQANCHMSA-N 442.516 4.142 5 20 IIBD CCN(C(=O)[C@H](C)OC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccccc1 773606087 ZGOSLZOUFAXPHJ-JTQLQIEISA-N 427.276 4.017 5 20 IIBD CCn1c(SCC(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)nnc1-c1cccc(C)c1 773995478 FYPPXWUIILTWJA-UHFFFAOYSA-N 437.525 4.171 5 20 IIBD COc1c([N+](=O)[O-])cc(N[C@@H]2CCO[C@@H](CC(C)C)C2)c([N+](=O)[O-])c1Br 776819411 PQRMODUFAXLGII-MNOVXSKESA-N 432.271 4.280 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nn1-c1ccc(Cl)cc1 778147137 VXRAKSSYAJWYKV-UHFFFAOYSA-N 449.250 4.191 5 20 IIBD COc1ccc(F)cc1-c1csc(NC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)n1 778353199 JNACXEVVNGSZRF-UHFFFAOYSA-N 431.430 4.123 5 20 IIBD O=C(Nc1cc(F)c(N2CCCCC2)c(F)c1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 779130619 ZBCNNIZUHNRYOF-UHFFFAOYSA-N 428.395 4.369 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 780542543 ZWZAQBHNZYGFFY-RHSMWYFYSA-N 437.562 4.472 5 20 IIBD CCn1c(SCC(=O)OCc2ccc([N+](=O)[O-])c(C)c2)nnc1-c1cccc(C)c1 781172188 VJIUXERBVSTPIP-UHFFFAOYSA-N 426.498 4.326 5 20 IIBD CCc1ccc([C@@H](C)NC(=O)[C@@H](C)OC(=O)c2cccc([N+](=O)[O-])c2Br)cc1 781676717 WXQRWZCCEPWXCF-CHWSQXEVSA-N 449.301 4.342 5 20 IIBD Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 781688995 KLMWTVINCMKDHD-GCJKJVERSA-N 427.457 4.028 5 20 IIBD O=C(CCCc1ccsc1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 783047900 UGZZCNMCFQQOJP-UHFFFAOYSA-N 427.448 4.347 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)cc2)nc1 783890476 WFXOSAMTLYENPZ-UHFFFAOYSA-N 448.479 4.466 5 20 IIBD CC(C)c1ccc(-c2nnc(SCCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)o2)cc1 783899265 UXFYNMBWUJFIRN-UHFFFAOYSA-N 433.511 4.334 5 20 IIBD COc1ccc([C@@H]2[C@@H](COC(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)CC(=O)N2C)cc1 784516347 KIBLHGOFWRKUNG-VGOFRKELSA-N 426.469 4.103 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 784531056 NTOGBEVSRKCPKM-MRXNPFEDSA-N 430.386 4.429 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N2CCC[C@H]2c2cccs2)cc1[N+](=O)[O-] 784647379 QQZMADQYSMBCGF-ZDUSSCGKSA-N 438.303 4.029 5 20 IIBD CCC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br 784738800 SMXLADPZZQJQKD-OAHLLOKOSA-N 448.317 4.132 5 20 IIBD CC(=O)N[C@@H](C)CCc1ccc(C(=O)COc2cc([N+](=O)[O-])ccc2Br)cc1 786743765 IAWJHJWFUSQGSS-ZDUSSCGKSA-N 449.301 4.076 5 20 IIBD CC(=O)c1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)ccc1C 789139627 XTQLTBHNXXFZCE-LBPRGKRZSA-N 438.358 4.309 5 20 IIBD C[C@@H]1C[C@@H](N(C)C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CCN1Cc1ccccc1 790758938 DVANEKCZMCROSW-QAPCUYQASA-N 433.911 4.441 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCO[C@H](c2ccc(F)cc2Cl)C1 790940832 PUDVPCKJRHWNLF-KRWDZBQOSA-N 431.222 4.322 5 20 IIBD COc1cc(-c2nc(COC(=O)c3cc(OC)c(C)c([N+](=O)[O-])c3)cs2)ccc1O 791687462 FHKOHWRXFZHWIW-UHFFFAOYSA-N 430.438 4.107 5 20 IIBD COc1ccc(OC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 792124696 WWSHJJWBQWNIRT-CYBMUJFWSA-N 438.396 4.299 5 20 IIBD CN1C(=O)C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H]1c1ccc(Cl)c(Cl)c1 792524037 DQUCGOPMPUPUCT-PIGZYNQJSA-N 426.231 4.199 5 20 IIBD C[C@@H]1C(=O)CC[C@H]1CC(=O)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 796229123 BQHMASTZOXZRME-XLDJFRKUSA-N 444.871 4.477 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCC(C)(C)c1c(Cl)cccc1Cl 800604797 VHKMFHVRMNDIRY-UHFFFAOYSA-N 442.274 4.382 5 20 IIBD C[C@@H](OC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 801895034 DTYNAUXQHVBVLQ-PSLIRLAXSA-N 432.301 4.334 5 20 IIBD COc1ccc(OCCOC(=O)c2nc3ccccc3cc2Br)c([N+](=O)[O-])c1 808705162 UGFMAEFBPUVXTR-UHFFFAOYSA-N 447.241 4.150 5 20 IIBD CC[C@@H]1[C@H](C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCN1C(=O)OC(C)(C)C 811302591 QEWNMPLHHMPHGA-QZTJIDSGSA-N 445.472 4.329 5 20 IIBD C[C@H]1CN(c2c([N+](=O)[O-])ccc(N3CCC(F)(F)[C@H](C)C3)c2[N+](=O)[O-])CCC1(F)F 811848883 YLEODDOEVWJVDI-NEPJUHHUSA-N 434.390 4.466 5 20 IIBD O=C(Cc1csc(-c2cccs2)n1)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 813173371 ABADADQUGVXZPE-KRWDZBQOSA-N 429.523 4.140 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCC2(CC1)OCCCO2 818393099 VUHZWROOUFAKDK-UHFFFAOYSA-N 432.860 4.410 5 20 IIBD CCc1nc2ccccc2n1[C@@H]1CCCN(C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])C1 819474795 BGTXDOQFGKFMMO-GOSISDBHSA-N 436.512 4.448 5 20 IIBD Cn1c(-c2nc(-c3cc(Br)cc(Br)c3)no2)ccc1[N+](=O)[O-] 904912476 JIPPXWCJRPAHTG-UHFFFAOYSA-N 428.040 4.175 5 20 IIBD C[C@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1=O 915665320 BAIMOJMFXGEUSQ-QGZVFWFLSA-N 427.766 4.234 5 20 IIBD Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 915835092 BUKCPMICBUIKHS-MJGOQNOKSA-N 449.429 4.292 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)Oc2cc([N+](=O)[O-])ccc2C)CC1 916402044 LKKBLRZOHJCEBC-UHFFFAOYSA-N 432.860 4.023 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 918411285 RERHQLPKIWBPAL-IBGZPJMESA-N 435.867 4.361 5 20 IIBD CC(=O)c1ccc(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)s1 918637909 OCJMJWQIWCLXPF-INIZCTEOSA-N 430.482 4.101 5 20 IIBD C[C@H](OCC1CC1)C(=O)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 920781281 MHUXPOPUEMDSLW-ORAYPTAESA-N 432.860 4.286 5 20 IIBD CC(C)c1nc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(F)c([N+](=O)[O-])c4)C3)cc2s1 921157223 OBXAGNADNLNXBB-GFCCVEGCSA-N 442.472 4.459 5 20 IIBD O=C(OCc1nc2ccccc2c2ccccc12)c1cc([N+](=O)[O-])ccc1N1CCOCC1 921249833 NMVXBNATHUGGKF-UHFFFAOYSA-N 443.459 4.490 5 20 IIBD O=C(Cc1ccc(O)cc1)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 925444948 ASIOYGHKQAFRJJ-OAQYLSRUSA-N 440.839 4.420 5 20 IIBD CC(C)(C)OC(=O)C1(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCCCC1 1262806633 JOMQVSRUVPFNCL-UHFFFAOYSA-N 427.295 4.132 5 20 IIBD CC[C@@]1(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCN(C(=O)OC(C)(C)C)C1 1319454628 WUUCGVWZVQEGLS-HSZRJFAPSA-N 447.532 4.002 5 20 IIBD COc1cc(CN2CCC([C@H]3C(=O)Nc4ccccc43)CC2)c([N+](=O)[O-])cc1OC(F)F 1321426395 HHROQEKNLQKNEO-HXUWFJFHSA-N 447.438 4.153 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1)c1cc2cccnc2[nH]1 1785750862 YSAXNVALQRXYDV-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])c(C(=O)NC2(c3ccc(NC(=O)CC4CC4)cc3)CCC2)c1 1787825248 ZKCPMEGICPTBEB-UHFFFAOYSA-N 436.512 4.209 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C2(NC(=O)C(C)(F)F)CCC2)cc1 1790794124 DKKUKKCGRWIKIA-UHFFFAOYSA-N 446.454 4.064 5 20 IIBD O=C(NC1(c2ccc(NC(=O)C(F)(F)c3ccco3)cc2)CCC1)c1ccc([N+](=O)[O-])[nH]1 1791079461 KCHOBXPJUFTLTJ-UHFFFAOYSA-N 444.394 4.056 5 20 IIBD O=C(/C=C/C1CCCCC1)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)[nH]n1 1820906238 BJTOMAXOEOAKDZ-PEKVBPLLSA-N 440.504 4.088 5 20 IIBD Cc1ccoc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1827742875 YRQGYCQIUFTNPZ-FQEVSTJZSA-N 443.475 4.182 5 20 IIBD C[C@H](C(=O)N1CCCC12CN(C(=O)c1cccc(F)c1[N+](=O)[O-])C2)c1ccc(Cl)cc1 1841198698 CTSKPAZVIYBNKQ-AWEZNQCLSA-N 445.878 4.008 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])OCC(=O)N1c2ccccc2Sc2ccccc21 3509880 QMMPELFSYOTWRA-UHFFFAOYSA-N 436.445 4.346 5 20 IIBD Cc1cccc(Nc2nnc(SCC(=O)N3CCc4cc([N+](=O)[O-])ccc43)s2)c1C 16756441 UCQAJHMKJNQQHK-UHFFFAOYSA-N 441.538 4.488 5 20 IIBD Cc1c(NC(=O)[C@@H](C)Sc2ncnc3c2cnn3-c2ccccc2)cccc1[N+](=O)[O-] 21910619 RNBAHHIZFFYDDU-CQSZACIVSA-N 434.481 4.151 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCC[C@H](C)C3)cc2)cc1[N+](=O)[O-] 29997984 DNDUJLXGKSBJFY-HNAYVOBHSA-N 445.541 4.355 5 20 IIBD O=C(NC1CC1)c1cc(SCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)nc2ccccc12 107674574 JTJBGFVVTNEYKR-UHFFFAOYSA-N 447.476 4.378 5 20 IIBD Cn1c([C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c2ccccc2)nc2ccccc21 109774123 LQAWSORSQRMMEZ-QFIPXVFZSA-N 425.448 4.482 5 20 IIBD CC(C)N1CC[C@H](CNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 109825173 FTOJZMAXXXHZFM-MRXNPFEDSA-N 430.936 4.320 5 20 IIBD O=C(c1cccc(Oc2ccccc2)c1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 117055890 BIKOQLZTNVRTMN-UHFFFAOYSA-N 437.477 4.047 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3F)c2)cc([N+](=O)[O-])c1 195695463 MOSIDERWGCEDLT-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)N2CCOCC2)cc1 215856994 FXBCTAXNPZMZDQ-LJQANCHMSA-N 425.407 4.108 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NC[C@H](O)c1ccc(Cl)cc1Cl 301230898 FJWJXIKZWRUWFG-AWEZNQCLSA-N 441.239 4.043 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CC=C(c3ccccc3C(F)(F)F)CC2)s1 301927037 HVKREZVUKUVSBY-UHFFFAOYSA-N 432.445 4.372 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2ccc(-c3nc4ccccc4[nH]3)cc2)s1 302206539 XEUIFHRVQRZOKU-UHFFFAOYSA-N 428.495 4.215 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2)c1[N+](=O)[O-] 302374567 CSQOGPZVMCREOE-CYBMUJFWSA-N 440.378 4.013 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3c(C(N)=O)oc4ccccc34)cc2[N+](=O)[O-])C1 302757679 USGGBGZUVHFZFK-ZIAGYGMSSA-N 436.468 4.175 5 20 IIBD O=C(Nc1ccc(NCCc2ccccc2)cc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 303821904 KEGNXPJPIWDKAY-UHFFFAOYSA-N 428.452 4.082 5 20 IIBD CCc1ccc([C@@H](NC2CCN(S(=O)(=O)C(C)(C)C)CC2)c2ccc([N+](=O)[O-])cc2)o1 426044215 RPIODHTYIPDEIB-NRFANRHFSA-N 449.573 4.022 5 20 IIBD Cc1nc(C)n(Cc2cccc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)c2)n1 427187065 PRARYNNCVFRGNK-UHFFFAOYSA-N 437.503 4.050 5 20 IIBD CC(C)(NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)c1ccc([N+](=O)[O-])cc1 430534848 BFGAPQKCGPNKME-UHFFFAOYSA-N 443.459 4.056 5 20 IIBD C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 430663497 JXIZIQREBXFMKG-HXPMCKFVSA-N 441.488 4.067 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-c2nc(C)no2)c([N+](=O)[O-])c1 432469707 POIUGZHCQNNSQI-UHFFFAOYSA-N 442.375 4.081 5 20 IIBD CCOc1cc(CN2CCC(c3nc(-c4ccccc4OC)no3)CC2)ccc1[N+](=O)[O-] 433142984 GDIHRBZNTRDOFO-UHFFFAOYSA-N 438.484 4.432 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc([C@@H]2C[C@H]3CC[C@H]2C3)cs1 434917774 VIYKZOUFOVTDCM-XYJFISCASA-N 442.541 4.033 5 20 IIBD O=C(NCc1cccc(Cn2cccn2)c1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436147714 GZMPOONDWKXVEL-UHFFFAOYSA-N 444.441 4.134 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCO[C@@H]3C[C@H](N(C)C)CC[C@H]32)cc1[N+](=O)[O-] 437942937 WIAQYVZMNSYGOW-QWFCFKBJSA-N 435.590 4.057 5 20 IIBD O=C(NCc1ccc(C(=O)Nc2cccnc2)cc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 438041522 MGGUFUXEZGLFMV-UHFFFAOYSA-N 444.369 4.191 5 20 IIBD CC(C)Oc1c(F)cc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1F 438673828 VNLYWTJHWMEAHT-UHFFFAOYSA-N 435.427 4.036 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCCC[C@@H]2c2ncc(-c3ccccc3)[nH]2)cc1 439205308 MUWVNLZOJITMAQ-HXUWFJFHSA-N 426.498 4.042 5 20 IIBD CCCNC(=O)[C@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 442007415 DBPYSPQMXZCCQG-INIZCTEOSA-N 427.526 4.124 5 20 IIBD CN1CCN(c2ccc(NC(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])nc2)CC1 442284724 OENGKYSKZBNLMX-UHFFFAOYSA-N 449.536 4.145 5 20 IIBD CC(C)(CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1c(F)cccc1Cl 442324363 NDABFEQCMYQNAT-UHFFFAOYSA-N 428.247 4.073 5 20 IIBD CN(C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)[C@H]1CCCN(c2ccccc2)C1=O 444020801 LTYDSIBSBJJVTP-NRFANRHFSA-N 443.478 4.088 5 20 IIBD O=C(NCC1(c2ccc(C(F)(F)F)cc2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 445169553 YVYIWEASPDVUKC-UHFFFAOYSA-N 441.793 4.054 5 20 IIBD Cc1ccc(NC(=O)c2c(C)cccc2[N+](=O)[O-])cc1NS(=O)(=O)c1ccccc1 445216731 VHSCWMXKRXERQZ-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(CN(Cc3ccco3)c3cccc(Cl)c3)n2)n1C 445614659 AIWVJWPKMJWDIQ-UHFFFAOYSA-N 428.836 4.140 5 20 IIBD CCOc1cc2c(cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)O[C@@H](C)C2 445716246 NXNNDOCKFNPDPR-NSHDSACASA-N 435.274 4.261 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@H]2C)cc1OC 446253057 NQGBMDYUIJMZED-ZUOKHONESA-N 434.876 4.258 5 20 IIBD Cc1cc(F)cc(-n2cc(C(=O)N(C)c3nc(-c4ccccc4[N+](=O)[O-])cs3)nn2)c1 448341104 GHPCAAANXGHAPR-UHFFFAOYSA-N 438.444 4.023 5 20 IIBD C[C@H](C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1cccc(C(=O)c2ccccc2)c1 461398553 GRFMZSCBFKZGMV-KRWDZBQOSA-N 430.460 4.351 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(NC(=O)c2cccnc2)cc1 462503187 QUZHAYRZIDNGTO-IBGZPJMESA-N 432.480 4.127 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1c(C)nn(CC(F)(F)F)c1C 462601947 CDSXMWLUFCSHIE-MLGOLLRUSA-N 426.439 4.417 5 20 IIBD COc1cc(C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)ccc1OCc1cscn1 463134843 ORRHGTVJGQLOFO-UHFFFAOYSA-N 436.449 4.439 5 20 IIBD COc1ccc(-c2ccc(CNC(=O)C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)cc2)cc1 464044011 WZSIJNRLGCATNH-UHFFFAOYSA-N 433.464 4.142 5 20 IIBD CSc1cccc([C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)c2ccc(F)c(F)c2)c1 464117525 XEMFAXUHUVITKZ-HXUWFJFHSA-N 432.452 4.087 5 20 IIBD COc1ccccc1O[C@H](C)CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 464298897 WUPVJXRPQYGFIN-QGZVFWFLSA-N 427.501 4.037 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1[N+](=O)[O-] 464726748 JHYQLBBGAZSMKY-UHFFFAOYSA-N 435.509 4.104 5 20 IIBD Cc1cccc(Cc2sc(NC(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)nc2C)c1 465033662 LQPPNFMSMHMGEZ-UHFFFAOYSA-N 439.493 4.211 5 20 IIBD CCOc1ccc([C@@H](C)NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1OC 465655716 KMQNKDBYCHLVLT-MRXNPFEDSA-N 443.500 4.316 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(OCC3CC3)c(F)c2)cc1OC 469462619 LGWZUNQANGVHEQ-ZDUSSCGKSA-N 432.448 4.421 5 20 IIBD Cc1ccc([C@H]2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)C2)c(C)c1 471337865 SKQBSPKPOWGVDU-NZQKXSOJSA-N 435.524 4.141 5 20 IIBD COc1cccc([C@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)c2cc(F)ccc2OC)c1 471439781 BXWSPZZSPLECDU-QFIPXVFZSA-N 440.427 4.279 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 472610199 LBKHFBYUEHUFBK-SNVBAGLBSA-N 446.435 4.121 5 20 IIBD CO[C@@H](C)c1nc(CN2CCCN(C(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)cs1 473868862 LPMRHCHLZLNVPI-INIZCTEOSA-N 446.573 4.230 5 20 IIBD COc1cc(C(=O)NC[C@H](C)Cn2ccnc2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 473888205 QRFDTQNQYYJRFL-AWEZNQCLSA-N 444.875 4.312 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)c1 475067301 JFLPKULVOXHUFS-CQSZACIVSA-N 440.308 4.159 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(OCC(=O)c2csc3ccccc23)c([N+](=O)[O-])c1 475938551 KYPUDHICEUVXDN-UHFFFAOYSA-N 448.522 4.102 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ncccc2OCc2cccc(Cl)c2)c([N+](=O)[O-])c1 476914923 NNGFLWLBLJZBDD-UHFFFAOYSA-N 449.872 4.032 5 20 IIBD COc1cc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)ncc1Br 477006822 MSCLAXHSRHKFSU-UHFFFAOYSA-N 449.305 4.250 5 20 IIBD Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)NCc1ccc([N+](=O)[O-])cc1 477158733 BMMQRVXIBNAUAT-UHFFFAOYSA-N 443.301 4.149 5 20 IIBD Cc1c(C(=O)N2CCC(c3cccc(Cl)c3)CC2)nnn1-c1cccc([N+](=O)[O-])c1 478281593 MJLDQWHEFNZDQI-UHFFFAOYSA-N 425.876 4.157 5 20 IIBD CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C(N)=O)c1cccc(Br)c1 479483058 VVGZGZCDDFFGCZ-YOEHRIQHSA-N 438.347 4.044 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@H]2CCO[C@H](C(C)(C)C)C2)cc1[N+](=O)[O-])c1ccccn1 481015777 PJOWLCFRAYGEBF-WJPUGNRLSA-N 426.517 4.486 5 20 IIBD CC(C)(C)OC(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC1 485892542 DSCQCXPDBIUJEH-UHFFFAOYSA-N 439.512 4.401 5 20 IIBD CC(=O)Nc1ccc(CCNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1 485943724 VJIPMJBGYNHPMV-UHFFFAOYSA-N 433.464 4.105 5 20 IIBD CN(C(=O)c1sc(Br)cc1[N+](=O)[O-])[C@@H]1CCCN(Cc2ccccc2)C1 486170264 BFIZWKSZUZUZQL-CQSZACIVSA-N 438.347 4.155 5 20 IIBD O=c1oc2cc(F)c(Br)cc2n1Cc1ccc([N+](=O)[O-])cc1C(F)(F)F 486201353 CLGHPIZIZPHEQQ-UHFFFAOYSA-N 435.127 4.471 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccn(CCc2ccncc2)n1 486234123 HFJHCFUNOUIXEY-UHFFFAOYSA-N 425.514 4.429 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)Cc3ccc([S@@](C)=O)cc3)cc2[N+](=O)[O-])C1 488101516 VEDXRTZLXZJZSZ-WORKWWTESA-N 443.569 4.087 5 20 IIBD COc1ccccc1SC[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 488925398 VNAJYPBWWBUGHZ-GFCCVEGCSA-N 426.441 4.363 5 20 IIBD O=C(NCC1(c2ccccc2Cl)CCOCC1)c1cc([N+](=O)[O-])ccc1OC(F)F 489072827 TYJUHGIJBQTCES-UHFFFAOYSA-N 440.830 4.328 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CC)[C@@H](c1ccc(C)cc1)n1cncn1 489131456 SPUBGVFTYMNYCV-PZJWPPBQSA-N 439.541 4.405 5 20 IIBD Cc1nc2[nH]c(SCc3nc(-c4cccc([N+](=O)[O-])c4)no3)nc2cc1Br 489822861 UOTYUEJGLZOPBY-UHFFFAOYSA-N 447.274 4.279 5 20 IIBD COc1ccc([C@@H](CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)N2CCCC2)cc1 489991292 FZBUXXIHRMLSKT-VGOFRKELSA-N 426.517 4.109 5 20 IIBD CCOC(=O)c1cc(C(=O)N(Cc2cccnc2)Cc2ccccc2C)cc([N+](=O)[O-])c1 490241572 IISOUAHWTTYMMG-UHFFFAOYSA-N 433.464 4.318 5 20 IIBD O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 502404393 GMFDVRVNAHZGHV-SFHVURJKSA-N 443.475 4.147 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(-c3cccc(NS(=O)(=O)c4cccs4)c3)n2)c1 505018394 JWEIKJLHVZHNAE-UHFFFAOYSA-N 428.451 4.174 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(=O)N1CCCC[C@@H]1C(F)F 506471828 PXNODODOIUXOSA-CYBMUJFWSA-N 441.481 4.392 5 20 IIBD CCCC[C@@H](NC(=O)c1cccc(C)c1[N+](=O)[O-])C(=O)Nc1cccc(N2CCCC2)c1 509094972 DEHFNUQRZFZCRS-OAQYLSRUSA-N 438.528 4.431 5 20 IIBD COc1cccc(CN(C)c2ccc(C(N)=O)cc2[N+](=O)[O-])c1OCc1ccccc1F 509466638 VAGQSMRVCVRENM-UHFFFAOYSA-N 439.443 4.057 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(COCC(F)(F)F)cc1 510891251 CKTQFUPWTSLWFO-UHFFFAOYSA-N 425.407 4.058 5 20 IIBD COc1ccc(Cl)cc1-c1cc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)n[nH]1 512844318 HDIKAYVQJHBIDJ-UHFFFAOYSA-N 438.831 4.085 5 20 IIBD O=C(NCC(=O)N1CCCc2ccccc21)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 512864092 JJIPZLQWQXJSPV-UHFFFAOYSA-N 447.516 4.455 5 20 IIBD CCOc1c(Br)cc(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1OC 512940323 NHQSFUZZXCGHPE-UHFFFAOYSA-N 437.290 4.079 5 20 IIBD CC(C)c1cnc(-c2ccc(NC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)cc2)o1 513488258 RQXUEPMACPZKGD-UHFFFAOYSA-N 429.454 4.029 5 20 IIBD Cc1cc(C)cc(N(CC(=O)Nc2ccccc2)C(=O)COc2ccccc2[N+](=O)[O-])c1 517920766 ZOTSFTYIJKMPRD-UHFFFAOYSA-N 433.464 4.262 5 20 IIBD COc1cc(C(=O)NC(C)(C)c2ccccc2)c([N+](=O)[O-])cc1OCc1cscn1 519083150 SRUKPLVOOPRKBC-UHFFFAOYSA-N 427.482 4.304 5 20 IIBD O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 520023368 BEDNYZBSJJTEEP-UHFFFAOYSA-N 442.472 4.375 5 20 IIBD O=C(C1CCCCC1)N1CCN(c2c([N+](=O)[O-])cnc3ccc(Br)cc23)CC1 520025264 KDUJBKJHOJNAAK-UHFFFAOYSA-N 447.333 4.134 5 20 IIBD COC(=O)[C@H](C)NC(=O)c1ccc(N[C@@H]2CCC(C)(C)c3ccccc32)c([N+](=O)[O-])c1 520152842 JAQBKLMDPCUKBC-KBXCAEBGSA-N 425.485 4.111 5 20 IIBD Cc1ccc(-c2csc(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)n2)s1 520324569 DBLQHSFHNIIUEL-GFCCVEGCSA-N 448.551 4.393 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Br)c(OC)c(OC)c1 520622354 HKYNCIKVKBFAGZ-UHFFFAOYSA-N 425.235 4.026 5 20 IIBD Cc1ccc(C(=O)C2CCN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)CC2)c(C)c1 521472661 WXGWGBXFQGUWQX-UHFFFAOYSA-N 432.480 4.132 5 20 IIBD CC(C)(C)c1ccc(-c2n[nH]c(NC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)n2)cc1 521694644 KYEZOHLFSKQECS-UHFFFAOYSA-N 431.456 4.115 5 20 IIBD O=C(Nc1ccccc1CS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-] 521731207 XSDMTJPXLUQMMP-UHFFFAOYSA-N 430.869 4.474 5 20 IIBD C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2I)[C@H]2CCCC[C@H]21 522242528 XTVGWDQNWKXUBN-FFSVYQOJSA-N 428.270 4.240 5 20 IIBD Cc1c(NC(=O)N[C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)cccc1[N+](=O)[O-] 522421990 PGUSKXPTRLOBIB-OAHLLOKOSA-N 425.489 4.042 5 20 IIBD CC[C@H](C)NC(=O)CCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 522859889 FSDGCWBVSPOKTB-ZDUSSCGKSA-N 435.933 4.434 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCCc3ccc(Cl)c(C)c32)cc1OC 522881917 YHMBRXTZGYABHD-UHFFFAOYSA-N 434.876 4.183 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NC[C@@H]1CCc2ccccc2N1 525193541 WXARNWYROVKUST-SFHVURJKSA-N 438.509 4.234 5 20 IIBD CC1(C)Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3I)c2O1 530554792 QZTNWFMPDPIXAR-UHFFFAOYSA-N 438.221 4.165 5 20 IIBD CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H](c1ccc(C)cc1)n1cncn1 533754806 LFXLYAURYZWBPC-RBUKOAKNSA-N 447.417 4.312 5 20 IIBD CN1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(Cl)c(F)c1 535672562 VCHIOIWZDRLMJX-KZULUSFZSA-N 426.275 4.464 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 537642856 DBOYLKHDFDGQFK-QGZVFWFLSA-N 433.302 4.496 5 20 IIBD CCOc1ccc(C(=O)N(C)C)cc1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 538857048 KUJMZFVXIVMFPL-UHFFFAOYSA-N 426.498 4.431 5 20 IIBD O=c1c2ccccc2nc(SCc2ccc([N+](=O)[O-])cc2Cl)n1C[C@H]1CCCO1 542011979 JRALEBFBHCUSIL-OAHLLOKOSA-N 431.901 4.429 5 20 IIBD C[C@@H](C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1F 542553958 QAORTWXVJGVVFA-CQSZACIVSA-N 441.425 4.447 5 20 IIBD COc1c(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cccc1C(N)=O 543851655 NYAKEJWKPRMQTM-UHFFFAOYSA-N 446.257 4.337 5 20 IIBD CC(C)c1noc(Cc2ccc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)cc2)n1 547300353 BTEFONOALAVGGR-UHFFFAOYSA-N 432.440 4.130 5 20 IIBD Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 549198187 ZOOIYVAZEWPQIE-SJORKVTESA-N 446.457 4.154 5 20 IIBD CCc1ccc([C@H](NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C(C)C)cc1 551405619 WBRIVWCLCQEQMV-GOSISDBHSA-N 448.317 4.372 5 20 IIBD CC(C)(C(=O)N1CCC[C@@H](NC(=O)CCCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 553014510 CBMUSFUGLZJTMW-OAQYLSRUSA-N 437.540 4.003 5 20 IIBD COc1ccc([C@H](CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])N2CCCCC2)cc1 554473626 QBCJNTPZDBKQLL-QHCPKHFHSA-N 440.544 4.015 5 20 IIBD COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1 555930439 NGMZYQIWVHHTKS-KZULUSFZSA-N 437.290 4.180 5 20 IIBD COc1cc(C(=O)N2CC[C@@]3(CCN(C)C3)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 558037184 YKFMEPRPMJCAKC-JOCHJYFZSA-N 445.903 4.217 5 20 IIBD CC[C@@H]1Cc2c(Br)cccc2CN1c1nc(O)c2cc([N+](=O)[O-])ccc2n1 561321690 VRQLYWAHZUZDBR-GFCCVEGCSA-N 429.274 4.347 5 20 IIBD O=[N+]([O-])c1cc2c(O)ncnc2cc1N1CC[C@@H](Cc2ccc(Br)cc2)C1 562403742 NMMNMHGNPCYLIO-ZDUSSCGKSA-N 429.274 4.075 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1-c1nc([C@H](C)c2ccncc2)no1 567024095 CKZUQAGCPIJIDE-SECBINFHSA-N 436.209 4.105 5 20 IIBD COc1cc(-c2nc(Cc3cccc([N+](=O)[O-])c3C)no2)cc(Br)c1OC 575365545 DPSVXYYYHXEPNC-UHFFFAOYSA-N 434.246 4.324 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CN3CCC(n4cc(Br)cn4)CC3)co2)cc1 579213762 XHPDSFZIOMLCQH-UHFFFAOYSA-N 432.278 4.046 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NC[C@@H]2COc3ccccc32)cc1[N+](=O)[O-] 583230182 WEUNAEDBVNPLGN-MRXNPFEDSA-N 448.500 4.454 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N(Cc1ccccc1Cl)CC1CC1 586986268 QKLCNLRPANAVSU-UHFFFAOYSA-N 429.904 4.137 5 20 IIBD COC(=O)c1cc(C)nc(N2CCc3nc(-c4ccccc4Cl)sc3C2)c1[N+](=O)[O-] 588853523 GTNYHOALOMXYJV-UHFFFAOYSA-N 444.900 4.424 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCN(C/C=C\c2ccccc2)CC1 603688308 DZAWBHOOSQVGRB-DAXSKMNVSA-N 449.429 4.007 5 20 IIBD CCOc1ccc([C@H]2CCCN2C(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 603801984 KBIXIKJPUDLSES-LJQANCHMSA-N 443.500 4.100 5 20 IIBD Cc1c(Cl)c(CN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)nc2ccccc12 603848008 BPVASWBQBACOAD-UHFFFAOYSA-N 430.917 4.124 5 20 IIBD CCCOc1cc(NC(=O)[C@@H]2CCCCN2C(=O)C(C)C)c([N+](=O)[O-])cc1OCCC 603951836 LDWPRIHVPJQWRI-KRWDZBQOSA-N 435.521 4.148 5 20 IIBD O=C(c1ccc(Cl)cc1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)N1CCCC1 604009919 FFIGMYWYIUIYPD-UHFFFAOYSA-N 427.848 4.146 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1c1cccc(Br)c1 604043389 PVWPXXLUVISOPN-INIZCTEOSA-N 425.304 4.192 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2cnn(Cc3ccccn3)c2)cc1[N+](=O)[O-])c1ccccn1 604548966 OICVNGVGWIMBJX-MRXNPFEDSA-N 443.467 4.055 5 20 IIBD O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cc([N+](=O)[O-])cc2c1OCCO2 608936755 AOYBSIUIGZBWRH-IUCAKERBSA-N 442.312 4.005 5 20 IIBD CCCCNC(=O)[C@H]1CCCN(c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])C1 608973564 MLIXPHRKJUGIOM-IBGZPJMESA-N 438.528 4.288 5 20 IIBD COC(=O)c1sc2ccccc2c1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 609119040 ABDRTIYMJNVBNR-UHFFFAOYSA-N 427.482 4.105 5 20 IIBD COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)cc1 609129817 HCTRBJMJEJJKRJ-UHFFFAOYSA-N 446.463 4.331 5 20 IIBD COc1ccc(CSCC(=O)Nc2nnc(Cc3ccc(F)cc3)s2)cc1[N+](=O)[O-] 609305179 ZJIZPNNZSBNGRW-UHFFFAOYSA-N 448.501 4.057 5 20 IIBD COc1ccc([C@H](C)NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cc1Br 609547711 VTJGQYPFHIJKAJ-JTQLQIEISA-N 446.257 4.111 5 20 IIBD CC[C@H](Cc1ccccc1)C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 609567680 LDQPFXPYBVJYIQ-OAHLLOKOSA-N 445.522 4.092 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCC2(c3cccc(Br)c3)CC2)cc1OC 609646445 QBLAKYQHRGSRDU-UHFFFAOYSA-N 449.301 4.226 5 20 IIBD C[C@H](NC(=O)[C@@H](C)SCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1 609770596 CMTRCISWWZMEGL-UONOGXRCSA-N 447.488 4.031 5 20 IIBD COc1cc(C(=O)N2CCC[C@@H]2c2cccnc2)c([N+](=O)[O-])cc1OCc1cscn1 609814162 IIPOSGSIAPMAFS-QGZVFWFLSA-N 440.481 4.011 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)Nc1nnc(Cc2cccc(F)c2)s1 610095109 ISBKSTGIQXHOSP-UHFFFAOYSA-N 429.477 4.321 5 20 IIBD COc1ccc(OCCSc2nnc(COc3cc(C)ccc3C)o2)c([N+](=O)[O-])c1 610219455 XDXWSASQDUQRHV-UHFFFAOYSA-N 431.470 4.353 5 20 IIBD COc1ccc2c(c1)OCC[C@H]2NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 610234378 XSUYCTDBLJGPPW-CQSZACIVSA-N 442.415 4.354 5 20 IIBD COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 611334044 MLLJWSZWPXSQAN-LJQANCHMSA-N 439.512 4.258 5 20 IIBD O=C(O)c1ccccc1C1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 615172083 IMEUOESCPNDHMW-UHFFFAOYSA-N 432.860 4.122 5 20 IIBD Cc1cc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)nn1CCCOc1ccc(F)cc1 617757483 KWXTWRYZCKFGPB-INIZCTEOSA-N 426.448 4.450 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)c1sc(-c2ccccc2)nc1C 619478368 FLXAQHDTZXTPAD-CYBMUJFWSA-N 433.511 4.075 5 20 IIBD C[C@@H](OC(=O)CC[C@H](O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 726870698 KNIUQQAYOJNYNU-QRWLVFNGSA-N 428.485 4.276 5 20 IIBD Cc1nc2ccc(NC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4C(F)(F)F)CC3)cc2o1 727588096 JOHGHGYQBMQSAP-UHFFFAOYSA-N 449.389 4.417 5 20 IIBD Cc1cccc2[nH]cc(CC(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)c12 729005924 KXHWCGIINOCJJL-UHFFFAOYSA-N 435.358 4.128 5 20 IIBD O=C(Nc1sccc1C(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCC2 729332969 FYGOWRPCMKBQBP-UHFFFAOYSA-N 435.505 4.370 5 20 IIBD CC(=O)N[C@H](CC(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 729812822 KZWBDTAFAHUDCQ-KZULUSFZSA-N 435.274 4.229 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 730224558 ZLZSHTFAWIASAF-INIZCTEOSA-N 444.202 4.163 5 20 IIBD CC(=O)c1csc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 730359242 VAPBRORUVZLZAN-VIFPVBQESA-N 430.360 4.062 5 20 IIBD CC[C@@H](NC(=O)c1ccc(I)c([N+](=O)[O-])c1)c1ccccc1OC 730472953 DCPSZXWONYVVCX-CQSZACIVSA-N 440.237 4.089 5 20 IIBD CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)OCc1ccc(OC)c([N+](=O)[O-])c1)O[C@H](C)C2 730651710 OMKFGNSUNSWHQY-RPVQJOFSSA-N 427.453 4.172 5 20 IIBD CNc1ccc(C(=O)N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)cc1[N+](=O)[O-] 731022457 IUTSEKNCTASRCG-UHFFFAOYSA-N 440.500 4.254 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1 731620786 MNPWTDGKFWFUQT-UHFFFAOYSA-N 441.267 4.153 5 20 IIBD CCN1CCCC[C@H]1CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 732137396 GKUFNCOGQJYRSS-INIZCTEOSA-N 444.919 4.105 5 20 IIBD CC(C)(C)OC(=O)NCc1nc(C(=O)OCc2cc([N+](=O)[O-])ccc2Cl)cs1 734780982 NJGNMBCECREYRL-UHFFFAOYSA-N 427.866 4.086 5 20 IIBD O=C(OCc1nnc(-c2cccc(Cl)c2)o1)c1ccc([N+](=O)[O-])cc1Br 740424098 YUJVEHPTNKFJJO-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD C[C@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 741924528 FBLUOOXVTBEWBX-RNODOKPDSA-N 425.913 4.452 5 20 IIBD CCC(CC)NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(C)cs1 744500217 KNFCRFUXZRPWTD-GFCCVEGCSA-N 437.543 4.361 5 20 IIBD C[C@H](C(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Br)s1 745641541 UVZPEQUQCDKTHQ-QMMMGPOBSA-N 447.694 4.358 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1 746140195 SNMUCLMBNJNECR-SFHVURJKSA-N 446.527 4.374 5 20 IIBD C[C@@H](Nc1ccc(C(=O)n2ccc(=NCC(F)(F)F)cc2)cc1[N+](=O)[O-])c1ccccn1 747623557 LVLAWZUGAVHOFD-CQSZACIVSA-N 445.401 4.116 5 20 IIBD C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(N2CCOC2=O)cc1 747652103 LCFPYWKDWUGDFV-CYBMUJFWSA-N 438.465 4.166 5 20 IIBD CC(C)[C@@H](NC(=O)COC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 747962675 SKIUTTCBRUGCNH-HXUWFJFHSA-N 439.493 4.389 5 20 IIBD O=C1/C(=C/c2ccccc2)N=C(SCCn2ccc([N+](=O)[O-])n2)N1c1ccc(F)cc1 748616020 LHLGWGCVGNZHPQ-JXAWBTAJSA-N 437.456 4.108 5 20 IIBD Cc1c(C(=O)Nc2cc(Cl)cc(Br)c2O)cc([N+](=O)[O-])cc1[N+](=O)[O-] 748860083 OCJZOXOGJLHDCU-UHFFFAOYSA-N 430.598 4.185 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OC[C@H]2CCCN(C(=O)c3ccccc3)C2)cc1SC 749074553 QZMUQYJIYMNKCO-HNNXBMFYSA-N 444.509 4.035 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Oc1ccc(-c2cscn2)cc1 749298837 XRQRPULAGDRFSP-UHFFFAOYSA-N 441.284 4.249 5 20 IIBD C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 749421951 KRVKPPUPDPRUFG-VXGBXAGGSA-N 432.746 4.109 5 20 IIBD CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CCC(NC(=O)OC(C)(C)C)CC1 749440496 VDZDONWPVVLLBZ-UHFFFAOYSA-N 446.548 4.103 5 20 IIBD C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N(C)Cc1ccccc1[N+](=O)[O-] 749830924 XCBONGCIUNAIHG-ZDUSSCGKSA-N 441.469 4.086 5 20 IIBD Cc1nn(CNC2(c3ccc(Br)cc3)CCCC2)c2ncc([N+](=O)[O-])cc12 749944008 BVXIPSIRNVXGIH-UHFFFAOYSA-N 430.306 4.427 5 20 IIBD Cc1cc2c(cc1Br)N(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C[C@H](C)O2 751326140 LEYKOJMHVYGZPX-JTQLQIEISA-N 436.218 4.002 5 20 IIBD CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1C 751633758 HELUCBXUBNAUTP-GFCCVEGCSA-N 438.889 4.302 5 20 IIBD O=C(CC[C@@H]1CCOC1)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 751714864 RVRMELCMGOBVOY-VLIAUNLRSA-N 432.860 4.288 5 20 IIBD O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1CCc2cc(-c3ccccc3)oc2C1 751943893 QBGYOCHXKBXOQS-UHFFFAOYSA-N 428.448 4.094 5 20 IIBD O=[N+]([O-])c1ccc2nc(N3CCCN(Cc4cn5cc(Cl)ccc5n4)CC3)sc2c1 753115476 OAASFPZLNAGMDO-UHFFFAOYSA-N 442.932 4.218 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCCc1csc(-c2ccccc2)n1 754026696 WDXTXWGTZYUNJQ-UHFFFAOYSA-N 439.465 4.369 5 20 IIBD Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)CCc2cccc([N+](=O)[O-])c2)o1 756529077 QZPAITRMBJJVOC-UHFFFAOYSA-N 434.408 4.284 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1)N1CC[C@]2(CCOC2)C1 757012648 IMRQLUGVRODRQQ-SANMLTNESA-N 449.551 4.307 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N(CCc1cccc(F)c1)C1CCCC1 757425065 JFSMGRFHLFQUME-UHFFFAOYSA-N 441.503 4.198 5 20 IIBD COc1cc(Br)cc(S(=O)(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)c1 760515471 LGMSZELEBBZBAK-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD C[C@@H](c1nc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)no1)n1nnnc1C(C)(C)C 761857377 IBEDHROWVUOWNY-ZDUSSCGKSA-N 435.444 4.330 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCc1nc(-c2ccc(F)c(F)c2)no1 768014016 SRQNMSVEXZHAJS-VIFPVBQESA-N 439.758 4.087 5 20 IIBD COc1cc(COC(=O)c2cn(C)nc2-c2cccs2)c([N+](=O)[O-])cc1OC(F)F 768678363 JUYCOAJINXYXQB-UHFFFAOYSA-N 439.396 4.024 5 20 IIBD Cc1c(C(=O)N2CCC(OCc3ccc(F)cc3)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 768903875 WXFWDCANLMTGOR-UHFFFAOYSA-N 431.420 4.080 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(Br)c(Cl)c1F 769526714 PVZPYFRDJVXPDF-UHFFFAOYSA-N 445.628 4.254 5 20 IIBD O=C(OCc1coc(-c2ccc(F)c(F)c2)n1)c1cc(Br)ncc1[N+](=O)[O-] 769830605 BUBYIUYQZAWIAK-UHFFFAOYSA-N 440.156 4.043 5 20 IIBD CCc1c(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cnn1-c1ccc(OC)cc1 770009189 WDALJGWYKAGHKJ-UHFFFAOYSA-N 445.273 4.366 5 20 IIBD Cc1cc(S(=O)(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)cc([N+](=O)[O-])c1F 771772963 CECQLOPWSBPAQU-LJQANCHMSA-N 435.864 4.159 5 20 IIBD C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](C)[C@@H](O)c1c(Cl)cccc1Cl 773047531 VRLYIDMDBKXXCH-HNYWDRBLSA-N 426.300 4.330 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CCCSc2ccccc21 774718991 VZJVEZGZAKVTPG-UHFFFAOYSA-N 429.317 4.048 5 20 IIBD COc1ccc(NC(=O)CCN[C@@H](C)c2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])c1 775549723 ZTPGNSTXTHCSFS-LBPRGKRZSA-N 427.379 4.181 5 20 IIBD CN(C)c1ccc(N(Cc2ccc[nH]2)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1 775787961 HQYKOVDAWFEPLX-UHFFFAOYSA-N 430.468 4.022 5 20 IIBD O=C(COC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)Nc1c(Cl)cc(Cl)cc1Cl 778900027 RXDDSMSEZPEXTP-UHFFFAOYSA-N 447.614 4.079 5 20 IIBD COc1cc([C@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C(F)(F)F)cc(OC)c1OC 779453066 VGDDKIZENUZKEI-INIZCTEOSA-N 448.781 4.307 5 20 IIBD Cc1cc(COC(=O)[C@@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)ccc1[N+](=O)[O-] 781171789 FUMMQYDYTNPDEX-MRXNPFEDSA-N 448.422 4.100 5 20 IIBD O=C(CCCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-])OCc1ccccc1 781925774 ABXCADZEXIIVHP-UHFFFAOYSA-N 435.274 4.001 5 20 IIBD CCN(CC)CCOc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1Br 782121213 HVJUOGZRWGDZRM-UHFFFAOYSA-N 436.306 4.330 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)OCc2nnc(-c3cc4c(s3)CCCC4)o2)cc1[N+](=O)[O-] 782985756 JCRZEDGQOIAJQZ-UHFFFAOYSA-N 444.425 4.159 5 20 IIBD Cc1ccc([C@H](C)N[C@@H]2CCOC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 783638626 VQQSUXWDLJWQDH-IJXRJRJASA-N 433.549 4.358 5 20 IIBD O=C(OC1CCN(CC(F)(F)F)CC1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 786446020 WPQOFXNVLATSPL-UHFFFAOYSA-N 438.402 4.357 5 20 IIBD CCc1nc(C(=O)Oc2ccc(OC)c([N+](=O)[O-])c2)nn1-c1c(Cl)cccc1Cl 792123779 PLQDUGDOPPFJRR-UHFFFAOYSA-N 437.239 4.273 5 20 IIBD COc1ccc(-n2c(C)nn(CN(C)Cc3cc([N+](=O)[O-])ccc3Cl)c2=S)cc1 794616218 INUKPVKTIGBOQA-UHFFFAOYSA-N 433.921 4.371 5 20 IIBD CCOC(=O)C1=C(c2ccc([N+](=O)[O-])cc2)NC(=S)N[C@@H]1c1ccc(C(F)F)cc1 794781714 XJJKKKBYEBSLBH-MRXNPFEDSA-N 433.436 4.026 5 20 IIBD CCC(=O)c1ccc(Cl)c(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2Br)c1 795111223 MYIIKQZLMZOZDY-UHFFFAOYSA-N 448.678 4.371 5 20 IIBD CSc1ccc(C)c(NS(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])c1 795343563 LOKJQLHXSYEJPE-UHFFFAOYSA-N 435.296 4.328 5 20 IIBD O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)c1 795349204 VYSSTHWLTHEPDT-UHFFFAOYSA-N 447.835 4.126 5 20 IIBD Cc1nc(-c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cs1 797346084 VHBLVWIMFXGKKM-CYBMUJFWSA-N 440.456 4.157 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 798013199 HUBYVHJDQQKKJX-KBXCAEBGSA-N 436.295 4.024 5 20 IIBD CCOCC1(C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 799558676 MPFYBQRWXSBPSZ-GOSISDBHSA-N 432.860 4.288 5 20 IIBD CC[C@H](OC(=O)c1cc(I)cc([N+](=O)[O-])c1)c1ccc(F)cn1 803045504 HNAUVUOUFXPHAE-AWEZNQCLSA-N 430.173 4.042 5 20 IIBD CC(=O)c1cc(NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)ccc1F 806570806 LLNOULJZBDRYNT-UHFFFAOYSA-N 436.237 4.289 5 20 IIBD COc1ccc([C@H](C)Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])c(C)c1OC 808099402 NCCQPFSMGHCYSG-NSHDSACASA-N 430.429 4.090 5 20 IIBD Cc1ccc([C@@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@H](C)S(C)(=O)=O)cc1 809998655 GEYLGIIPKKENNM-SJCJKPOMSA-N 431.341 4.474 5 20 IIBD Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]2C2CCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] 810483142 RANUNQLGPRRQMK-ZYSHUDEJSA-N 431.533 4.364 5 20 IIBD O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813149002 ZEYZTSGAZYFYQH-CQSZACIVSA-N 446.649 4.229 5 20 IIBD CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](COC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 813157269 TZICELCPRKSUFN-GFCCVEGCSA-N 439.415 4.125 5 20 IIBD COc1ccc(CN(C)C(=O)[C@H](OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(C)C)cc1 877053898 ZLMBVRJHXQONOC-LJQANCHMSA-N 434.876 4.097 5 20 IIBD COc1cc(C(=O)OCC(=O)c2ccc(Oc3ccccc3)cc2)c([N+](=O)[O-])cc1OC 914882880 XZFHMFFLROVFOJ-UHFFFAOYSA-N 437.404 4.444 5 20 IIBD Cc1nc(Cc2ccc(F)cc2)sc1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 915237342 SSBNTNGUCWQYRO-UHFFFAOYSA-N 444.440 4.313 5 20 IIBD C[C@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(=O)N(C)Cc1nc2ccccc2s1 919210262 HJBDKIZHNHSZBG-LBPRGKRZSA-N 439.449 4.155 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 920147066 NPZKHLRSUQENCZ-FPYGCLRLSA-N 426.303 4.157 5 20 IIBD CC(C)(C)c1ccc(C(=O)OCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1[N+](=O)[O-] 920147490 JEHPPHRWKDNEMK-UHFFFAOYSA-N 449.847 4.041 5 20 IIBD COc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc(Cl)c1OC 1121223020 RFHNPNCOAUIJQK-UHFFFAOYSA-N 447.919 4.432 5 20 IIBD COc1cc(N2CCC(OC(=O)c3cnn(C4CCCC4)c3C)CC2)ccc1[N+](=O)[O-] 1122499943 PZIRSWKUHDWFMF-UHFFFAOYSA-N 428.489 4.049 5 20 IIBD Cc1ncncc1C(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 1252309380 MTMNDQFQRGGYPS-UHFFFAOYSA-N 447.234 4.472 5 20 IIBD COc1ccc(C[C@@H](C)N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cc1 1347275306 AUDCUXJKYGQRPA-LLVKDONJSA-N 433.313 4.162 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@@H]1CCSc2ccccc21 1357609134 JVHCMBBNUFHRIL-ZWKOTPCHSA-N 446.550 4.227 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)c3ccc(F)cn3)CCC2)cc1 1785792854 YVKNIXDLLSPXDV-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])NC1(c2ccc(NC(=O)c3ccc[nH]3)cc2)CCC1 1789685984 PUUNGOBZYCCMIY-MDWZMJQESA-N 430.464 4.384 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])[nH]4)CCC3)cc2)cc1F 1790263127 MJGUAZRLAHVLLX-UHFFFAOYSA-N 436.443 4.432 5 20 IIBD C/C=C(/C)C(=O)Nc1ccc(C2(NC(=O)Cc3cc([N+](=O)[O-])ccc3F)CCC2)cc1 1791222685 OOURBKZBAVMAQN-CQPUUCJISA-N 425.460 4.377 5 20 IIBD Cc1ocnc1C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])cc2)CCC1 1792317471 TXPUEFQSDLEIKW-KPKJPENVSA-N 446.463 4.352 5 20 IIBD Cc1c(C(=O)N2CCC3(CCCN(C(=O)/C=C/C4CC4)C3)CC2)cc(Cl)cc1[N+](=O)[O-] 1805573531 ZNXOPCUPDSKNQH-AATRIKPKSA-N 445.947 4.368 5 20 IIBD CC/C=C(\C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])[C@H]1c1cccnc1 1814191523 CMVWPHUQVHPHIP-MOLOIUOTSA-N 448.523 4.065 5 20 IIBD CC(C)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])n[nH]1 1823501385 RMXXLJCNPJHBAL-VYENPZKTSA-N 425.489 4.070 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)Cc1coc2cc(C)c(C)cc12 9436250 ZLHKIWRJHXIWNW-CQSZACIVSA-N 426.425 4.079 5 20 IIBD COc1cc(C(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCC(C)C 9536773 SALDRWSQCNWIAK-UHFFFAOYSA-N 436.848 4.087 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)C2(c3ccc(F)cc3)CCCC2)c([N+](=O)[O-])c1 10799718 QOELKAXOKHMXAR-UHFFFAOYSA-N 430.432 4.126 5 20 IIBD O=C(COC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)Nc1ccc([N+](=O)[O-])cc1Cl 11493474 DSYYQQSNADCDFT-UHFFFAOYSA-N 435.223 4.087 5 20 IIBD CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl 14791292 MUZXHDUAVAKQSD-UHFFFAOYSA-N 446.312 4.184 5 20 IIBD O=C(COC(=O)CCC(=O)c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1Cl 20751362 NECAKAOSWKLSDT-UHFFFAOYSA-N 425.224 4.046 5 20 IIBD CCn1c(SCc2cc(=O)n3cccc(C)c3n2)nc2cc3ccccc3cc2c1=O 24891888 HNJAJPXETXZFFA-UHFFFAOYSA-N 428.517 4.178 5 20 IIBD C[C@H](c1nnc(Sc2nc3sccn3c2[N+](=O)[O-])n1-c1ccc(Cl)cc1)N(C)C 29001745 CXEWWADVVHTKJH-SNVBAGLBSA-N 449.949 4.312 5 20 IIBD Cn1c(Sc2nc3ccccn3c2[N+](=O)[O-])nc2scc(-c3ccccc3)c2c1=O 29164211 CTTSTJDNYMHELA-UHFFFAOYSA-N 435.490 4.369 5 20 IIBD C[C@@H]1CCC[C@@H](N(C)C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 29998031 FJJFMSIGIXQUST-CRAIPNDOSA-N 431.514 4.046 5 20 IIBD CCOC(=O)c1cnn(-c2cccc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)c2)c1C 31390483 ZJUBRXOESJVDGN-UHFFFAOYSA-N 449.467 4.092 5 20 IIBD CCOc1cc(C(=O)NCc2ccc(CN3CCC[C@H](C)C3)cc2)c([N+](=O)[O-])cc1OC 58948684 VTTZHZJEHLQOAW-KRWDZBQOSA-N 441.528 4.164 5 20 IIBD COc1cc([C@@H](C)NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc(OC)c1OC 64917169 JKECHXHYWFAZPJ-GFCCVEGCSA-N 443.481 4.235 5 20 IIBD CN(C)CCN(Cc1cccc(F)c1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 65127889 PKMGLSPJJWTNOH-UHFFFAOYSA-N 428.489 4.061 5 20 IIBD O=C(CCc1ccccc1)N1CCCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 301682979 SNXDXIBJWKAELJ-UHFFFAOYSA-N 432.318 4.029 5 20 IIBD O=C1CCCN1C[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 301754055 WMWNAYQPCSKGAW-AWEZNQCLSA-N 428.798 4.438 5 20 IIBD C[C@@H]1C[C@@H](c2cccnc2)N(c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])C1 302154971 VTPSRXHRBLZTII-UTKZUKDTSA-N 444.557 4.142 5 20 IIBD O=c1c(Cl)c(N2CC[C@H](c3c(F)cccc3F)C2)cnn1-c1ccc([N+](=O)[O-])cc1 302233985 ZMQINGASQVFLJE-LBPRGKRZSA-N 432.814 4.066 5 20 IIBD CC(C)CCSc1ccc(C(=O)NC2CCN(C(=O)CC(C)C)CC2)cc1[N+](=O)[O-] 303030775 OAMVBEVILPXDQJ-UHFFFAOYSA-N 435.590 4.500 5 20 IIBD Cn1ccc2c(NC(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)cccc2c1=O 410376218 SQSOAMLJAOGPQC-UHFFFAOYSA-N 428.448 4.311 5 20 IIBD O=C(O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1csc(COc2ccc(Cl)cc2)n1 426783429 LEHBJYOQNTVAJX-SFHVURJKSA-N 447.900 4.069 5 20 IIBD Cc1cc(Br)c2c(c1)CN(C(=O)c1cc(O)nc3ccc([N+](=O)[O-])cc13)CC2 428256206 JIIJBXNWPJUEAH-UHFFFAOYSA-N 442.269 4.118 5 20 IIBD Cc1ccc(NC(=O)N2CCN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])CC2)cc1Cl 431834763 DBPSZKBHVONANN-UHFFFAOYSA-N 444.919 4.211 5 20 IIBD CCN([C@@H](c1cccnc1)c1ccc(F)cc1F)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 431919477 ABIUNWSZKSTFDJ-NRFANRHFSA-N 447.463 4.209 5 20 IIBD COc1ccc(CNC(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)cc1[N+](=O)[O-] 432076317 CROBIKTUIOOSHX-INIZCTEOSA-N 448.317 4.140 5 20 IIBD CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)c1cccc3c(=O)c4cccc(F)c4[nH]c13)C2 436305155 ZKVNZFCMWYZYIC-CQSZACIVSA-N 432.499 4.059 5 20 IIBD O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 437750015 SOKCIVQVJUYVAB-QFIPXVFZSA-N 441.484 4.228 5 20 IIBD CCOC(=O)[C@H](Cc1ccccc1Cl)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] 438932063 BCBSJEZLHNAFTA-HNNXBMFYSA-N 425.268 4.114 5 20 IIBD O=C(CN(Cc1ccccc1[N+](=O)[O-])C1CC1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 441224952 CYZDRKJVXCJWIW-HXUWFJFHSA-N 434.452 4.123 5 20 IIBD O=C(NCCN1CCC1)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 443949847 TXGYJIFEMVBHEF-UHFFFAOYSA-N 425.432 4.200 5 20 IIBD COC(=O)C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccc(OC(F)(F)F)cc1 446496530 TTXZXCCZZDGWCY-MRXNPFEDSA-N 441.362 4.228 5 20 IIBD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2cnn(-c3ccc(Br)cc3)c2)n1 447549168 DAIPKYNBKLZTLG-ZWKOTPCHSA-N 445.321 4.013 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CSC[C@H]1C(=O)Nc1ccccc1C 462492172 URBJCJOKXHBJMY-PXNSSMCTSA-N 427.526 4.012 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 462770708 XYNBIOSZWLFULG-JXFKEZNVSA-N 434.439 4.365 5 20 IIBD CN(C(=O)[C@H]1CCN(c2ccccc2F)C1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 464277126 CDBGFUVSSRGDSS-AWEZNQCLSA-N 426.473 4.347 5 20 IIBD COc1cccc(-c2noc([C@H](C)NC(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)n2)c1 466462045 UBCFPSUCRKKXDQ-JTQLQIEISA-N 449.370 4.138 5 20 IIBD CC[C@H](Cc1ccccc1Br)NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 470756651 RJHGWCBOZVIYRX-CYBMUJFWSA-N 444.285 4.362 5 20 IIBD O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2cc(Br)c(Cl)cc2Cl)c1 471909716 IVQWHKFKSKRXNZ-UHFFFAOYSA-N 442.074 4.171 5 20 IIBD NC(=O)c1ccc(CN2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)c([N+](=O)[O-])c1 473002659 QPMFXAQFNAWRPP-UHFFFAOYSA-N 438.311 4.182 5 20 IIBD O=[N+]([O-])c1ccccc1CN(Cc1ccc(Br)cc1N1CCOCC1)C1CC1 475584691 ZPUQNRLAHRVOTQ-UHFFFAOYSA-N 446.345 4.359 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)c(Cl)c1 476372792 COHPRWRXBHJWSA-UHFFFAOYSA-N 438.824 4.116 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CNc3cc(Cl)ccc3N3CCC(CO)CC3)n2)cc1 477530562 XQEGKICJRMWNBA-UHFFFAOYSA-N 443.891 4.119 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1 477827118 GMXUAVISFXIESK-XIKOKIGWSA-N 438.267 4.068 5 20 IIBD COc1ccc(Cl)cc1C1(CNC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CCOCC1 478108436 ASPYAZKUWIYCFU-UHFFFAOYSA-N 448.903 4.052 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OC(F)F)c3cccnc23)c(Cl)c1 479574461 PAZYQCDZTNIGCW-UHFFFAOYSA-N 429.788 4.199 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@](C)(CO)Cc2ccccc2)cc1[N+](=O)[O-])c1ccccn1 481127600 QXHWOBNDHPZKLK-AVRWGWEMSA-N 448.523 4.134 5 20 IIBD CCn1c(S[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)nnc1-c1ccc([N+](=O)[O-])cc1 481363367 JWRWQRCFVQOPCU-CABCVRRESA-N 437.525 4.332 5 20 IIBD COc1cc(OCC(=O)NCCc2c[nH]c3cc(Cl)cc(Cl)c23)ccc1[N+](=O)[O-] 481669965 NPEBBAWZINKMPN-UHFFFAOYSA-N 438.267 4.129 5 20 IIBD Cc1ccc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1OCC1CCOCC1 482061392 AULKIKBOXJZAFQ-UHFFFAOYSA-N 436.468 4.147 5 20 IIBD O=[N+]([O-])c1ccccc1/C=C\CNc1ccccc1N1CCN(CCc2ccncc2)CC1 482543025 HZNJJELMDOKUOY-ALCCZGGFSA-N 443.551 4.480 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2c2nc3ccccc3n2C)cc1SC 483641099 IIXJNXBCVREJGT-INIZCTEOSA-N 426.498 4.189 5 20 IIBD COC(=O)[C@@H](C)N(C(=O)c1cc(C)ccc1[N+](=O)[O-])c1ccc(Br)cc1C 484821257 NURWZOSRAPNDHB-CYBMUJFWSA-N 435.274 4.182 5 20 IIBD O=C(Nc1ccnn1Cc1c(Cl)cccc1Cl)c1cc2c(c([N+](=O)[O-])c1)OCO2 488941481 YDVYPIWXPQSNGL-UHFFFAOYSA-N 435.223 4.127 5 20 IIBD C[C@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])C[C@H](c2cccc(C(F)(F)F)c2)O1 489414194 TVKVFFCNKIJYKD-IFXJQAMLSA-N 437.418 4.328 5 20 IIBD C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 489861809 QINOYMLTGNGPMV-ZIAGYGMSSA-N 433.306 4.164 5 20 IIBD O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CCC(Cc2ccccc2CO)CC1 490389067 DPCSMDFQLBGCQF-UHFFFAOYSA-N 431.492 4.244 5 20 IIBD CS(=O)(=O)c1cccc([C@H](NCCc2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2F)c1 491019288 KKACWHOAONLETG-QFIPXVFZSA-N 446.475 4.198 5 20 IIBD CCOCCOc1ccc(Br)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1F 491553123 VPOPQTUIRYQGOZ-UHFFFAOYSA-N 441.253 4.093 5 20 IIBD O=C(NCc1cccc(CN2CCCC2)c1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 494656403 ORZXLWFSHYXJOZ-UHFFFAOYSA-N 436.434 4.209 5 20 IIBD COc1cc(CN[C@@H]2CCN([C@@H](C)c3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)F 494699068 YUPMDEMETDCYJB-MAUKXSAKSA-N 435.471 4.172 5 20 IIBD O=C(Nc1cccc(-c2ccccc2)c1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 495495765 WYWOLGNYTOWOQG-UHFFFAOYSA-N 430.464 4.252 5 20 IIBD COc1cc(CNc2c([N+](=O)[O-])ncn2C)cc(Br)c1OCc1ccccc1 497531835 CWHJUUQZJZJVIK-UHFFFAOYSA-N 447.289 4.291 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCCc2cccc(Br)c21 500322143 IYLIZWHQAMKQMW-UHFFFAOYSA-N 431.695 4.152 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N[C@@H]2CCCC[C@H]2OC(F)F)cc1[N+](=O)[O-])c1ccccn1 501607717 ZDXQMPFPRIMXTP-OMWUSAIZSA-N 434.443 4.443 5 20 IIBD COc1cccc(-n2nc(C)c([C@@H]3COCCN3Cc3ccc([N+](=O)[O-])cc3F)c2C)c1 501690687 RKHUGFMDMHFLTA-QFIPXVFZSA-N 440.475 4.119 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]1c1nc2ccccc2n1C 503140432 LGMISEDWKOOABZ-DYVFJYSZSA-N 428.876 4.266 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)cc1 503248846 WSMGWCAERIENJL-HXUWFJFHSA-N 431.901 4.047 5 20 IIBD O=C1CCCN1C[C@@H](NCc1c(F)cc([N+](=O)[O-])cc1F)c1cccc(C(F)(F)F)c1 508992619 VHWULCSGDUEMQJ-GOSISDBHSA-N 443.372 4.345 5 20 IIBD CCOc1cc(C(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)c([N+](=O)[O-])cc1OC 509438735 CJLGVQBSPRGEQX-LJQANCHMSA-N 447.919 4.222 5 20 IIBD Cc1c(Br)cc(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1[N+](=O)[O-] 512275734 UUFPDHWHAUKQIW-UHFFFAOYSA-N 441.285 4.472 5 20 IIBD Cc1ccc(Oc2ccccc2)c(NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c1 513839098 DHGQWEBSGKWIHC-UHFFFAOYSA-N 426.450 4.351 5 20 IIBD CC(C)(c1noc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)n1)c1cccc(Cl)c1F 515018742 QERBCYNLLVASTB-UHFFFAOYSA-N 439.852 4.167 5 20 IIBD Cc1onc(-c2cccc(Br)c2)c1-c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 517202503 ZUVHJMFUOADVGS-UHFFFAOYSA-N 442.229 4.357 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2cccc(-c3cnc4nc(O)n(C)c4c3)c2)n1 520306518 RQWNTPWAEAFIGV-UHFFFAOYSA-N 428.408 4.275 5 20 IIBD COCCOc1ccc(Cl)cc1-c1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 521509209 SFKHSVDKJGDZOM-UHFFFAOYSA-N 428.832 4.396 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)NCCCc1ccc(Br)cc1F 522507645 ALOIKKJOCCPESE-UHFFFAOYSA-N 427.295 4.338 5 20 IIBD CC(C)CCSc1ccc(C(=O)NCc2cccc(-n3cncn3)c2)cc1[N+](=O)[O-] 522732138 YPJRJPGZDJAMRV-UHFFFAOYSA-N 425.514 4.244 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1Oc1cccc(-n2ccnc2)c1 523113349 MGEHPVOBPDKFIV-UHFFFAOYSA-N 442.497 4.138 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CN3CCCC[C@@H]3c3nc(-c4ccccc4)no3)n2)cc1 532963570 BWADDVBLPYEYLP-GOSISDBHSA-N 432.440 4.422 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H]1Cn1cnc2ccccc21 533749658 XFWFEIXHLXEOJB-KRWDZBQOSA-N 433.493 4.373 5 20 IIBD CNc1ccc(C(=O)Nc2ccnn2Cc2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] 534051863 AFXCWOZVMHYQLW-UHFFFAOYSA-N 435.362 4.032 5 20 IIBD Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 534696912 QIOHAQMWTUZQQI-UHFFFAOYSA-N 437.456 4.057 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1cc(F)c(F)cc1Br 538940274 IBHBOGDQAJJFBE-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD O=[N+]([O-])c1ccc2nc(NS(=O)(=O)c3ccc(Br)cc3Cl)ccc2c1 539555535 KZKNKVDDNOFEEF-UHFFFAOYSA-N 442.678 4.360 5 20 IIBD CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)c1 539911668 GCRUOXLXDWMBEX-UHFFFAOYSA-N 447.557 4.420 5 20 IIBD O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 539978661 SKMBPMQDUAQPKE-FQEVSTJZSA-N 444.491 4.022 5 20 IIBD COc1cc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc(OC)c1Br 543451919 YUVQKNTWTYOAQG-VIFPVBQESA-N 427.226 4.256 5 20 IIBD O=C(Nc1nc(-c2ccc(Cl)cc2)n[nH]1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 544327589 TWXOTPPRWSUVOG-UHFFFAOYSA-N 441.753 4.227 5 20 IIBD O=C1CCCC[C@H]1[C@H]1COCCN1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 544806462 CUOQKYPPCRTHGH-LEWJYISDSA-N 440.521 4.346 5 20 IIBD Cc1sc2nc(Cc3noc(Cc4ccc([N+](=O)[O-])cc4Cl)n3)nc(O)c2c1C 544914881 XGWCIKCDMOZMGW-UHFFFAOYSA-N 431.861 4.140 5 20 IIBD CC(C)[C@@H](CNC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 557148711 RURYMJAXNXSHMU-QGZVFWFLSA-N 443.887 4.071 5 20 IIBD C[C@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 561808351 WKIUNTGJVBWJMR-ZDUSSCGKSA-N 428.851 4.286 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1 562113561 MVAWAAVESYOERY-FQEVSTJZSA-N 432.908 4.006 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCn2c(cc3c(Cl)cccc32)C1 562594124 JSIFZTFZBRVIQT-UHFFFAOYSA-N 426.860 4.017 5 20 IIBD COc1ccc2c(c1)[C@@H](c1nc(Cc3ccc([N+](=O)[O-])cc3Br)no1)CC2 569886787 CUARRKBCGBIBAJ-HNNXBMFYSA-N 430.258 4.418 5 20 IIBD CC(C)Oc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)N(C)C)cc1 578789813 OZTFWGQRZOKBBH-GOSISDBHSA-N 437.443 4.016 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Br)c(C)cc1OC 580636597 XXQIAUADHVIWBV-UHFFFAOYSA-N 429.292 4.038 5 20 IIBD O=C([C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1)N1CCCC1 581397378 SRSIOROEYAFMKD-AWEZNQCLSA-N 448.317 4.062 5 20 IIBD COc1cc(-c2nc(Cc3ccc(OCc4ccncc4)cc3)no2)cc([N+](=O)[O-])c1OC 582332567 RZAAKPJJZLBHRK-UHFFFAOYSA-N 448.435 4.227 5 20 IIBD COc1ccc(NC(=O)COc2ncnc3scc(-c4ccccc4)c23)c([N+](=O)[O-])c1 588889624 FCWSDFCRUKKWTJ-UHFFFAOYSA-N 436.449 4.293 5 20 IIBD CCC(CC)(NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1)C(=O)O 588942533 YFBYEXCIEQITOM-UHFFFAOYSA-N 436.848 4.422 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1nc2c(C)cccc2s1 603459965 KQBRWZAMIMISGO-HNNXBMFYSA-N 444.538 4.003 5 20 IIBD O=C(N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1(c2cccc(C(F)(F)F)c2)CCCC1 603571216 CSUCMIYNWVSSRE-UHFFFAOYSA-N 448.445 4.169 5 20 IIBD O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cc(-c2cccs2)nn1-c1ccccc1 608928582 MXRHIYWEFKAWRU-UHFFFAOYSA-N 426.479 4.310 5 20 IIBD CCOc1ccc(Br)cc1NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 609065454 CDMXCEOICYIENW-UHFFFAOYSA-N 445.273 4.409 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@H]3C[C@H]3c3c(F)cccc3F)cc2)c(C)c1[N+](=O)[O-] 609697033 RZMYVOWBDGJUCR-APWZRJJASA-N 426.423 4.021 5 20 IIBD CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c1 609697282 XBQGDANTHRCYLE-PMERELPUSA-N 426.498 4.080 5 20 IIBD CCc1ccc(C(=O)N2CCOC[C@@H]2c2c(C)nn(-c3ccccc3)c2C)cc1[N+](=O)[O-] 611529741 FALWQWOOXCESIC-JOCHJYFZSA-N 434.496 4.173 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](Cn2cnc3ccccc32)C1 614236000 VBUGDTQOITUPRN-SJORKVTESA-N 432.484 4.468 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)Nc1ccc(Cl)cc1 725985037 NXVQRBMMDQSPAK-VIFPVBQESA-N 427.638 4.195 5 20 IIBD Cc1c(C(=O)Nc2ccc3c(c2)CCN3C(=O)OC(C)(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] 726511771 VRPAFUKFBIBPHQ-UHFFFAOYSA-N 442.428 4.361 5 20 IIBD O=[N+]([O-])c1cccc(-c2ncn(CN3CCO[C@@H](c4ccc(Cl)c(Cl)c4)C3)n2)c1 727430289 ZJHNHGTYYMKJBQ-GOSISDBHSA-N 434.283 4.191 5 20 IIBD O=C(COC(=O)CCc1ccccc1OC(F)(F)F)Nc1ccc([N+](=O)[O-])cc1Cl 727553932 FSVCOMCWHUWTKE-UHFFFAOYSA-N 446.765 4.261 5 20 IIBD COc1ccc(CC(=O)Nc2ccc3c(c2)CCN3C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 727665607 DWJQZEJDZQRUOZ-UHFFFAOYSA-N 427.457 4.082 5 20 IIBD COC(=O)c1sc2ccccc2c1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 728285048 KGQIXTPPQOADAA-UHFFFAOYSA-N 439.493 4.126 5 20 IIBD COc1ccc([C@@H]2NC(=S)N(C)C(C)=C2C(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] 730202157 LIVPNOPZAOUCQZ-SFHVURJKSA-N 446.916 4.031 5 20 IIBD CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F 730457254 XKRDLNPTEZFJLS-NSHDSACASA-N 444.481 4.176 5 20 IIBD O=C(COC(=O)c1ccccc1OCc1cccs1)Nc1cc([N+](=O)[O-])ccc1F 730618168 NUYIBDPIPXNOPK-UHFFFAOYSA-N 430.413 4.170 5 20 IIBD COc1cc(Br)c(COC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1OC 730646922 PASOEAZNHBPCDD-UHFFFAOYSA-N 430.638 4.385 5 20 IIBD COc1ccccc1C[C@H](C)CC(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 730653852 IXZUROQNWXOGDR-KBPBESRZSA-N 434.876 4.396 5 20 IIBD CC(C)(C)OC(=O)N1CCc2c(cccc2NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)C1 734136596 QNTPCBBEEWQOMN-UHFFFAOYSA-N 437.456 4.017 5 20 IIBD C[C@@H](OC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1nc2cc(Br)cnc2[nH]1 735214079 MCLVFPCGBAHWSF-MRVPVSSYSA-N 430.218 4.028 5 20 IIBD C[C@@H](Nc1ccc(C(=O)OC[C@H]2Cc3cc(F)ccc3O2)cc1[N+](=O)[O-])c1ccccn1 740587660 DLVREHYJDJHIMI-RDTXWAMCSA-N 437.427 4.463 5 20 IIBD CNc1ccc(C(=O)OCc2ncc(-c3cccc(Br)c3)o2)cc1[N+](=O)[O-] 741829103 SVTRQWVAWOTGKL-UHFFFAOYSA-N 432.230 4.411 5 20 IIBD CCc1nc(C)c([C@H](C)N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)s1 742303134 ZZBMHQCPRKJKGY-JTQLQIEISA-N 448.364 4.066 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)C2CCC(c3ccccc3)CC2)c([N+](=O)[O-])c1 745500993 HTPLDWRZJLDDQV-FAEJEUNOSA-N 426.469 4.448 5 20 IIBD Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1N1CCOC1=O 746356030 CIVNCKFXBIJJQH-UHFFFAOYSA-N 427.460 4.058 5 20 IIBD CC(C)(CO)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccccc1 747551371 IQXOWEWWIHNDJK-OAQYLSRUSA-N 425.529 4.117 5 20 IIBD O=C(OCC(=O)N1CCSc2ccccc21)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 747958462 OILPPJRFVPKREI-UHFFFAOYSA-N 441.490 4.014 5 20 IIBD O=C(Oc1ccc(Cc2ccccc2)cc1[N+](=O)[O-])[C@H]1CCCN(C(=O)c2ccncc2)C1 749062561 PYBQJCJGMCLXEK-NRFANRHFSA-N 445.475 4.038 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(Br)cc1C(F)(F)F 754805156 POGNOOGIUCQGKA-UHFFFAOYSA-N 443.179 4.365 5 20 IIBD C[C@H](N[C@H](C)c1nc(-c2cccc(F)c2)no1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 755040204 QHYGLTLFEKAAPR-WDEREUQCSA-N 433.827 4.115 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCCCC[C@H]1C[C@@H](O)c1ccccc1 755985388 ZALIWECNBJAFGZ-SIKLNZKXSA-N 439.512 4.261 5 20 IIBD O=C(CN(Cc1ccccc1)C[C@@H](O)c1cccs1)Nc1ccc([N+](=O)[O-])cc1Cl 756061017 ZDZUFKMXBLHECP-LJQANCHMSA-N 445.928 4.484 5 20 IIBD O=C(OCCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1csc([C@@H]2CCCO2)n1 756529413 PANKYHBHDMLGEC-AWEZNQCLSA-N 432.376 4.157 5 20 IIBD O=C(/C=C\c1ccc(Cl)nc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 758098784 GIEKPSIFWAINJC-KXFIGUGUSA-N 440.809 4.024 5 20 IIBD CCCOc1cccnc1C(=O)OC1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1 759522553 RMMBVTNQCDXSEE-UHFFFAOYSA-N 429.473 4.003 5 20 IIBD CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(Cc1nc(Cc3ccccc3[N+](=O)[O-])no1)C2 761342535 AFJPQRSVGPDKGY-IRXDYDNUSA-N 428.489 4.289 5 20 IIBD CC(C)NC(=O)Nc1ccccc1C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 763158727 PPTGOTMKJMCFJV-ZDUSSCGKSA-N 439.428 4.093 5 20 IIBD O=C(NC[C@@H](O)c1ccc(Cl)c(F)c1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 763218995 ZISIQTVOSUGYFO-OAQYLSRUSA-N 443.862 4.463 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(OCc2ccc(-c3cccs3)cc2)c([N+](=O)[O-])c1 766066728 ISEVHDFMNMOICF-UHFFFAOYSA-N 434.451 4.214 5 20 IIBD Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 767326527 FSFZDFPFMWDCFZ-SFHVURJKSA-N 437.418 4.163 5 20 IIBD Cc1csc(SCc2ccccc2C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)n1 769601859 MUSFVJMLSPZIQH-UHFFFAOYSA-N 439.522 4.458 5 20 IIBD C[C@H](OC(=O)c1cc(Br)ncc1[N+](=O)[O-])C(=O)C12CC3CC(CC(C3)C1)C2 769837521 ACLBYLFHFBHQOC-INROXSABSA-N 437.290 4.083 5 20 IIBD O=C(NC1CCC(O)(c2cccnc2)CC1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 770049710 LQZNWOYGHICNHP-UHFFFAOYSA-N 446.507 4.162 5 20 IIBD O=C(CCc1nc(-c2cccs2)no1)OCc1ccc(Br)c([N+](=O)[O-])c1 773360740 MENBPHBTWGHVLR-UHFFFAOYSA-N 438.259 4.145 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2scnc2-c2ccccc2)cc1Br 773379656 OKRGXOMZPFXOCC-UHFFFAOYSA-N 440.300 4.282 5 20 IIBD Cc1c(C(=O)Nc2cc(F)c(Br)c(F)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 775496303 SCXXIBIPBLURAD-UHFFFAOYSA-N 430.161 4.413 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCNc1ccc(C(F)(F)F)cn1 775526306 ZRIYDNIWCFOKGQ-UHFFFAOYSA-N 428.436 4.351 5 20 IIBD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc(Cl)n1 778568414 XSYIYTFTTVFAOQ-LLVKDONJSA-N 446.872 4.259 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1cc(Cl)ccc1OC1CCCC1 779336168 XKQKDIYDPSSTSI-UHFFFAOYSA-N 448.859 4.408 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cc(-c2ccc(OC(F)F)cc2)no1 782119361 PLGLLEWPDLCNDF-UHFFFAOYSA-N 448.338 4.331 5 20 IIBD O=C(OCc1nnc(-c2ccccc2Br)o1)c1cc(Cl)cc([N+](=O)[O-])c1 783725978 NROGLPZFSOEUMP-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCC[C@H](C4(C)OCCO4)C3)c([N+](=O)[O-])c2)cc1 784254557 JUOHNHVSROUDFY-SFHVURJKSA-N 425.485 4.135 5 20 IIBD CCCC[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br 784705453 YMNRKHAVTPWDNO-JSGCOSHPSA-N 426.311 4.079 5 20 IIBD NC(=O)c1ccc(-c2nc(COc3cc([N+](=O)[O-])ccc3Br)cs2)cc1 786746581 JRLHASKEBZFOQS-UHFFFAOYSA-N 434.271 4.159 5 20 IIBD COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1Cl 786834367 QZEFGXHSJAANSZ-JTQLQIEISA-N 436.269 4.083 5 20 IIBD COC(=O)c1cccc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c1Br 791011485 SKBJLONCYNZRCQ-UHFFFAOYSA-N 445.628 4.118 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc2sc(N3CCCC3)nc2s1 792278744 IOGNBFJEHUREIX-UHFFFAOYSA-N 434.455 4.131 5 20 IIBD O=C(OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1occc1CSc1ccccc1 792738542 OPVIULFERONCSS-UHFFFAOYSA-N 438.461 4.226 5 20 IIBD COC(=O)c1sc2ccccc2c1S(=O)(=O)Oc1cc(F)c([N+](=O)[O-])cc1Cl 796208089 NIYNQOCBWRCDBQ-UHFFFAOYSA-N 445.833 4.156 5 20 IIBD CS(=O)(=O)c1cc(CNc2nc3ccc([N+](=O)[O-])cc3s2)cc(C(F)(F)F)c1 804697984 YCQKXZJPCIGIDD-UHFFFAOYSA-N 431.417 4.239 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1 806494308 OQQUBGHAPZBHCC-QFIPXVFZSA-N 435.480 4.049 5 20 IIBD CC(C)CN(C(=O)COCc1ccccn1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 808697850 XHZDXAGGWXMECE-UHFFFAOYSA-N 426.498 4.319 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H]2CN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@H]21 814176671 SFXBWUBZSKGLEW-XJKSGUPXSA-N 427.448 4.028 5 20 IIBD Cc1cc(Cl)c(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1[N+](=O)[O-] 815405724 HEESWVQGUSXRQV-VIFPVBQESA-N 442.211 4.302 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3ccc(OC(C)(C)C)cn3)CC2)ccc1[N+](=O)[O-] 815960938 YVHIZOWYSRGELQ-UHFFFAOYSA-N 443.500 4.392 5 20 IIBD C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](OC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1=O 816405769 XAOURHDADQNZAB-RNODOKPDSA-N 425.416 4.124 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2cccc(Br)c2[N+](=O)[O-])C1 820676770 RMBIMSSJQOIAAT-STQMWFEESA-N 428.327 4.487 5 20 IIBD Cc1nccc(-c2cccc(NS(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)c2)n1 821144681 IRGXZWYIYKTZEE-UHFFFAOYSA-N 439.280 4.468 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)cc1[N+](=O)[O-] 887556412 MSYCOMYBHWVSLV-UHFFFAOYSA-N 449.445 4.347 5 20 IIBD COc1ccc(CN(Cc2ccccc2)C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])cc1 915117573 YNZRKGSCUVQFQD-UHFFFAOYSA-N 434.448 4.024 5 20 IIBD Cc1cccn2c(NC(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)c(-c3ccccc3)nc12 915281368 FGSOTTDAUOVOAE-UHFFFAOYSA-N 426.436 4.206 5 20 IIBD O=C(NCc1cccc(OCc2ccccn2)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 915672527 NXFZTNAZCYIZEY-UHFFFAOYSA-N 446.507 4.489 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c(F)c1 917258133 NQIDQLMPHXHLRZ-LLVKDONJSA-N 444.337 4.167 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 917943869 IABPMYZYIMJGGB-NSCUHMNNSA-N 437.296 4.394 5 20 IIBD C[C@@H](OC(=O)CCOc1ccc(F)cc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 919381096 FPNOQGXVYIKXMR-SNVBAGLBSA-N 445.230 4.380 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@@H](C)Oc1cc(C(C)C)ccc1C 919409080 YQKIOTGAWPMCQN-HZPDHXFCSA-N 444.484 4.373 5 20 IIBD O=C(Nc1ccc(CCC(=O)N2CCCC2)cc1)c1cc([N+](=O)[O-])ccc1N1CCCC1 919889344 XRXSRPSSDGQGNP-UHFFFAOYSA-N 436.512 4.002 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1csc(-c2ccccc2F)n1 920728950 FQXXTVMACOGUMB-LLVKDONJSA-N 445.428 4.050 5 20 IIBD C[C@H](OC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1cccs1 924160073 BNNKHVVCKOFVQB-VBQJREDUSA-N 434.539 4.432 5 20 IIBD CCCc1nc(-c2nnc(COc3ccccc3[N+](=O)[O-])o2)nn1-c1ccccc1Cl 1118131107 BJPHFGBXTAGNSZ-UHFFFAOYSA-N 440.847 4.410 5 20 IIBD O=c1nc(-c2cc([N+](=O)[O-])ccn2)[nH]c2cc(-c3cccc(Br)c3)sc12 1320579032 SMQNORPIVHPDOK-UHFFFAOYSA-N 429.255 4.384 5 20 IIBD Cc1c(C(=O)COc2cc(F)c(Br)cc2[N+](=O)[O-])cnn1-c1ccccc1 1321818622 KCKGQFVTJZAQID-UHFFFAOYSA-N 434.221 4.252 5 20 IIBD O=[N+]([O-])c1ccc(-n2cc(-c3nnc(-c4cc(F)ccc4Br)o3)cn2)cc1 1322359099 XYDHAUPGXKAUIH-UHFFFAOYSA-N 430.193 4.399 5 20 IIBD O=c1c2ccccc2c(-c2nnc(-c3csc([N+](=O)[O-])c3)o2)nn1Cc1ccccc1 1326096440 RUGZFMLQQITUJZ-UHFFFAOYSA-N 431.433 4.132 5 20 IIBD Cc1ccc(O)c(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CCC2)c1 1785750103 PXYKXUWWELHJIY-UHFFFAOYSA-N 435.436 4.263 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(F)cc([N+](=O)[O-])c4)CCC3)cc2)no1 1787468063 NIMOWZATRNTNJU-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccccc3)CCC2)cc1)c1ccc(O)c([N+](=O)[O-])c1 1790618552 AWHGIKZTIZXREP-UHFFFAOYSA-N 431.448 4.362 5 20 IIBD C[C@@H]1CCC[C@H]1C(=O)N1CCC2(CCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)CC1 1806490456 NMOIRYYFTOUIKW-DENIHFKCSA-N 441.572 4.195 5 20 IIBD O=C(Cc1ccccc1)N1CCC2(CCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)CC1 1806491765 PZZCEEHQRFFWLZ-UHFFFAOYSA-N 449.551 4.001 5 20 IIBD CCC1(C(=O)N2CCC3(CCCN(C(=O)Cc4cc([N+](=O)[O-])ccc4F)C3)CC2)CCC1 1806655966 RLFAQLUFJUXVAJ-UHFFFAOYSA-N 445.535 4.088 5 20 IIBD O=C(CCC1CCCC1)Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1 1816689545 DQCOADLJEULYOT-MRXNPFEDSA-N 429.477 4.187 5 20 IIBD C/C=C(/C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(F)ccc([N+](=O)[O-])c2C)n[nH]1 1821285297 AQKOFMSCHINXAB-IXNMTGGESA-N 429.452 4.038 5 20 IIBD CC(C)/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1824278200 ABLNSLUNXDAFHL-GKJKKBKTSA-N 429.517 4.033 5 20 IIBD Cc1ccsc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 1825780882 FYWXQUQBORMCBD-INIZCTEOSA-N 431.514 4.105 5 20 IIBD CCC1(C(=O)N2CCCC23CN(C(=O)c2cc4cc([N+](=O)[O-])ccc4s2)C3)CCC1 1843959935 LXOHNAFXHZCEHB-UHFFFAOYSA-N 427.526 4.207 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O 10904164 GTVZKYHJMITPCO-MRXNPFEDSA-N 440.308 4.363 5 20 IIBD COc1ccc(Br)c(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 17669754 FGXNLGIRWWUWLV-SNVBAGLBSA-N 448.229 4.334 5 20 IIBD COc1cc(C(=O)OCc2nc3ccccc3n2C(F)F)c([N+](=O)[O-])cc1OC(F)F 25634407 RGERDUQKYOQFFO-UHFFFAOYSA-N 443.309 4.307 5 20 IIBD COc1ncccc1CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 30305688 JJSWTDVMWQBXEB-UHFFFAOYSA-N 426.860 4.194 5 20 IIBD O=C(CCSc1nnc(-c2ccncc2)n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-] 31687458 PIJRBGAWUSOBOG-UHFFFAOYSA-N 446.492 4.358 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Oc1ccc2ccccc2c1Br 32402784 KXIZASBMDUCZSE-UHFFFAOYSA-N 438.255 4.287 5 20 IIBD CC1CCN([C@H](CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c2cccs2)CC1 32483025 XZFAYITXQXUQEN-HXUWFJFHSA-N 439.541 4.045 5 20 IIBD CCOc1cc(NC(=O)N(C)Cc2ncc(C)c(OC)c2C)c([N+](=O)[O-])cc1OCC 58612843 HCSZSDWPURKSEC-UHFFFAOYSA-N 432.477 4.077 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 60483676 FHIWRWYEBICZNS-AWEZNQCLSA-N 445.903 4.179 5 20 IIBD COc1cc([C@@H]2Nc3cccc(C)c3C(=O)N2CCc2ccccc2)cc([N+](=O)[O-])c1O 63312743 WUHYDRHBPDYBBU-HSZRJFAPSA-N 433.464 4.427 5 20 IIBD CNC(=O)c1ccc(Sc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)c([N+](=O)[O-])c1 64904569 KVGCIDURMQPEEY-UHFFFAOYSA-N 446.488 4.113 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1 72010002 YAOUNXVXEZIXMW-ZDUSSCGKSA-N 447.426 4.034 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(-c2ccco2)nn1-c1ccccc1 105458175 GGRJCAASUFIQQS-UHFFFAOYSA-N 446.419 4.144 5 20 IIBD COc1ccc2[nH]cc(C3CCN(C(=O)c4ccn(-c5cccc([N+](=O)[O-])c5)n4)CC3)c2c1 108866956 KFKKFTKVTKTSHU-UHFFFAOYSA-N 445.479 4.290 5 20 IIBD COc1ccc([C@@H](C)NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1Br 216015061 QJZSGHQGNCJCPZ-SNVBAGLBSA-N 442.697 4.309 5 20 IIBD Cc1ccc(Sc2ncccc2C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)c1 303747826 GSFAHIVOYGWGDZ-KRWDZBQOSA-N 449.536 4.479 5 20 IIBD Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)sc1Cc1ccc(F)cc1 409524455 YEDNGHNGZKBQOU-UHFFFAOYSA-N 425.438 4.030 5 20 IIBD O=C1[C@@H](SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCN1c1cccc(Cl)c1 426198066 YRTFJBYCLIOKKN-SFHVURJKSA-N 447.900 4.085 5 20 IIBD O=C(O)[C@@H](Cc1ccc(O)cc1)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 426645602 HOOWBFHIFNHVCR-LJQANCHMSA-N 426.400 4.017 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@@H](CO)[C@H](c2ccc(Cl)cc2)C1 427809738 WDIBUNFXYPVQBZ-BBRMVZONSA-N 441.336 4.228 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCOc3ccc(F)cc3C2)cc1[N+](=O)[O-])c1ccccn1 428457860 ASNBFDZABIZMLI-OAHLLOKOSA-N 436.443 4.337 5 20 IIBD Cc1cc(OCC(=O)Nc2ccccc2CN(C)C(=O)c2cccs2)ccc1[N+](=O)[O-] 430682663 XTCYYJMNDPNMNN-UHFFFAOYSA-N 439.493 4.254 5 20 IIBD CCCS(=O)(=O)Nc1cccc(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c1C 433139008 VCUSEQMHIHRJQJ-UHFFFAOYSA-N 434.518 4.112 5 20 IIBD Cc1c(COC(C)(C)C)cccc1NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 437054687 YRWULVXUDCLNHS-UHFFFAOYSA-N 439.512 4.348 5 20 IIBD C[C@H]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCN1Cc1ccccc1 437481367 XTYXAPJDJUYJES-KRWDZBQOSA-N 431.920 4.140 5 20 IIBD O=[N+]([O-])c1ccc2nc(NCc3cn(-c4ccccc4)nc3-c3ccccc3)nc(O)c2c1 439097912 OZHLMRQJQQJXMU-UHFFFAOYSA-N 438.447 4.708 5 20 IIBD CN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1Cl 439117934 MCGQAUBVMVGNEB-UHFFFAOYSA-N 425.754 4.124 5 20 IIBD CC(C)[C@@H](NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 439655544 OUDKDTQPZUNBLH-SCLBCKFNSA-N 437.418 4.245 5 20 IIBD COC(=O)c1cc(Br)cc(NC(=O)c2cccc(C)c2[N+](=O)[O-])c1Cl 440157866 RXQSRAVVERRUQV-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD CCSCc1cccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c1 441144943 VJQQOLVUJZZCAT-UHFFFAOYSA-N 425.413 4.027 5 20 IIBD O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCN(c2ccc(O)cc2)CC1 442417325 IUTFTTNOQYBASM-UHFFFAOYSA-N 435.505 4.414 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3O 443003251 QTTLDEZAMMXZDS-QHUDUFQSSA-N 430.913 4.241 5 20 IIBD O=C1C[C@@H](c2nc(-c3ccc([N+](=O)[O-])s3)no2)CN1Cc1cccc(C(F)(F)F)c1 445467192 LVIIXXUOPCALPH-LLVKDONJSA-N 438.387 4.241 5 20 IIBD O=C(Nc1nccn1Cc1ccc(Br)cc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 446672102 SWQOZORGSJFMHM-UHFFFAOYSA-N 440.257 4.336 5 20 IIBD COC(=O)CCNC(=O)c1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 446883347 GGTVVTMCNJHAIL-UHFFFAOYSA-N 439.493 4.228 5 20 IIBD Cc1c(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 460584566 JFAFBIMVPHKCSQ-ZQBYOIRZSA-N 425.876 4.264 5 20 IIBD CCCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)[C@H](c1cccnc1)c1ccc(F)c(C)c1 461536628 RXOSTNUVFLVRGX-QHCPKHFHSA-N 439.491 4.361 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCc4ccc(F)cc4C3)n2C[C@@H]2CCCCO2)c1 461657013 FOMBHPCGHRVECE-NRFANRHFSA-N 437.475 4.124 5 20 IIBD CN([C@H]1CCCN(c2ccccc2)C1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 462137028 KJCZIFWHHZITQV-HNNXBMFYSA-N 444.340 4.191 5 20 IIBD CCN(Cc1ccc(OC)c(OC)c1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 462454081 GLICWAPILLNODF-UHFFFAOYSA-N 449.312 4.130 5 20 IIBD O=[N+]([O-])c1c(NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)ccc2ncccc12 463072392 UUAKQHKVSJRSRP-UHFFFAOYSA-N 446.554 4.034 5 20 IIBD C[C@@H](NCc1c(F)cc([N+](=O)[O-])cc1F)c1ccc(Br)cc1OCCCO 463368862 PVTFXUAXJVCPKQ-LLVKDONJSA-N 445.260 4.248 5 20 IIBD CC[C@H](C)NC(=O)CCNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 464435088 BOFCHQYJEJYWIQ-ZDUSSCGKSA-N 435.933 4.434 5 20 IIBD O=C1[C@H](N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCCN1c1ccccc1Cl 464782742 ZTKCNJKBUMGOFC-OAQYLSRUSA-N 429.904 4.287 5 20 IIBD NC(=O)c1cc(NC(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)c[nH]1 465045616 CWEQBXGMTPLMDN-NTEUORMPSA-N 447.476 4.201 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 467864383 AYZSHVPJVSDEHB-UHFFFAOYSA-N 436.173 4.175 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H](c1cc(F)cc(Br)c1)C1CC1 469151683 YPSIUFNQXVXBAT-KRWDZBQOSA-N 443.294 4.463 5 20 IIBD C[C@@H](C(=O)N1CCN(C(=O)c2cc3ccccc3s2)CC1)c1ccc([N+](=O)[O-])cc1F 469329862 JZWRNZGGKKQCLP-CQSZACIVSA-N 441.484 4.037 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CCOc2c(-c3ccccc3)cccc21 469348669 XCWCJQBHYWEDIV-VQTJNVASSA-N 449.511 4.134 5 20 IIBD O=C(NCCCCc1nc(-c2cccnc2)cs1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 473908802 XURKCRGAYBXTSE-UHFFFAOYSA-N 449.492 4.120 5 20 IIBD C[C@@H](C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1ccc([N+](=O)[O-])cc1F 475103034 WXTBGBHUMAVDPI-HWPZZCPQSA-N 440.258 4.066 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1ccc(I)cc1Cl 477315524 DAISMAATTOOMIT-UHFFFAOYSA-N 434.592 4.173 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3ccc(-c4cccs4)o3)CC2)ccc1[N+](=O)[O-] 477378818 VMPGZGSJOFOGFD-UHFFFAOYSA-N 427.482 4.277 5 20 IIBD CC(C)(CCO)NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 478666680 XIRNOPBSUUJDOE-SSZFMOIBSA-N 425.510 4.412 5 20 IIBD CCN([C@@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 481449422 XDARHQWHJGTWEW-QFIPXVFZSA-N 425.510 4.407 5 20 IIBD CCS(=O)(=O)c1ccc(N2CCC(N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 481743075 PQLAEXANNMDFIE-QGZVFWFLSA-N 431.558 4.016 5 20 IIBD CC(C)[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)Cc1ccc(Cl)cc1Cl 483226233 RZCADHVLDKJKIA-AWEZNQCLSA-N 438.311 4.471 5 20 IIBD Cc1nc2cc(Cl)c(NC(=O)c3ccc(N4C(=O)CCC4=O)c([N+](=O)[O-])c3)cc2s1 484704002 PSOJRZMVUXCRDY-UHFFFAOYSA-N 444.856 4.072 5 20 IIBD O=C(Nc1cc(F)c(F)cc1N1CCCCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 484890237 VZHXXVBCUQGBHB-UHFFFAOYSA-N 427.411 4.301 5 20 IIBD O=[N+]([O-])c1ccc(N2C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C2)cc1C(F)(F)F 485430159 AAJMHADPSCZUOI-CWTRNNRKSA-N 446.389 4.012 5 20 IIBD C[C@H](NC(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1)c1cccc(NC(=O)c2ccccc2)c1 485652561 DWFIJGYRIFUESM-AWEZNQCLSA-N 433.420 4.036 5 20 IIBD Cn1nc(CCNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c2ccccc21 485762010 GGJZAIJCYPNXJZ-UHFFFAOYSA-N 430.464 4.033 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCc2cc(Br)cc(F)c21 485861626 JFGREOAYKGWHDK-UHFFFAOYSA-N 444.054 4.462 5 20 IIBD COC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)c(C)c([N+](=O)[O-])c1 485973906 DBJMZXBTQGXBTM-LSDHHAIUSA-N 433.258 4.195 5 20 IIBD CC(C)CC(=O)Nc1cccc(CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 486335396 ZBCPLVCZABCCCY-UHFFFAOYSA-N 432.908 4.275 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@H](c2ccccc2)c2nccs2)c(C)c([N+](=O)[O-])c1 486872711 JPHSSXJWYKTKAS-QGZVFWFLSA-N 426.454 4.057 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CCC[C@H]1c1ccc(F)cc1 488938786 GXIODSXWMRHIMC-AWEZNQCLSA-N 429.267 4.022 5 20 IIBD Cn1ccnc1-c1csc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 489011503 KKMZAMZQBKGXEA-UHFFFAOYSA-N 443.432 4.201 5 20 IIBD Cc1ccc(OCc2nnc(S[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)o2)cc1 489128917 MEZQFRXSDAVVLH-CQSZACIVSA-N 428.470 4.293 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2cc(F)ccc2F)nnc1-c1ccc([N+](=O)[O-])cc1 489383656 BAHKSXWUXVJLLN-NSHDSACASA-N 433.440 4.271 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)cn(C)c1=O 491832840 BTYCUDRRSUZKDB-UHFFFAOYSA-N 426.860 4.120 5 20 IIBD CCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)[C@H](c1cccnc1)c1ccc(F)c(F)c1 496566130 BHECGYZQTIZVTJ-QFIPXVFZSA-N 443.454 4.110 5 20 IIBD Cc1ccc(NC(=O)N2CCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1Cl 497649052 XXKXYNBCFMXYKT-UHFFFAOYSA-N 437.283 4.200 5 20 IIBD CCc1ccccc1N(C(C)=O)c1nc(Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)cs1 498031145 YGGQGZOAWMZXJU-UHFFFAOYSA-N 449.492 4.057 5 20 IIBD CCCCN(C)CC1CCN(C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)CC1 498523084 IUNOAFBCOPEAQB-UHFFFAOYSA-N 441.576 4.041 5 20 IIBD CCc1nc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)nn1-c1c(Cl)cccc1Cl 499748205 GUSYVFGBXDOZOV-UHFFFAOYSA-N 434.283 4.017 5 20 IIBD CN(CCCN1CCCC1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 499911830 GVYLJRCXWWIBAW-NRFANRHFSA-N 430.936 4.346 5 20 IIBD Cc1c(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)nnn1-c1cccc([N+](=O)[O-])c1 501786464 GQOAKPSKSZASQV-UHFFFAOYSA-N 448.464 4.050 5 20 IIBD Cc1nc(-c2ccc([C@H](C)NC(=O)NCCNc3ccccc3[N+](=O)[O-])cc2)cs1 504174412 ZOHYBXVLDAIYQQ-AWEZNQCLSA-N 425.514 4.499 5 20 IIBD Cc1c(C(=O)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)cccc1[N+](=O)[O-] 505297840 LNQBJXWTEOUVBL-UHFFFAOYSA-N 446.301 4.157 5 20 IIBD CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)cc1 509030143 ATIYXKJKPKAZCM-UHFFFAOYSA-N 426.210 4.159 5 20 IIBD C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cc([N+](=O)[O-])ccc1SCCO 509430692 GLSATMQEZXFQJQ-LBPRGKRZSA-N 428.432 4.059 5 20 IIBD COc1cc(C(=O)N(C)Cc2ccc(F)c(F)c2)c([N+](=O)[O-])cc1OCc1cscn1 509888108 UMVDHMUFRVGGJB-UHFFFAOYSA-N 449.435 4.189 5 20 IIBD Cc1nc2cc(O)nn2c(C)c1CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 511874059 ICUHKJDERASGOZ-UHFFFAOYSA-N 449.492 4.041 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(Cn2cnc3ccccc32)cc1 512093822 YRXVFMJQHNAZFF-UHFFFAOYSA-N 443.507 4.377 5 20 IIBD Cc1c(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cccc1S(=O)(=O)NC1CC1 512613378 KMLZCZAUCBSPEJ-UHFFFAOYSA-N 427.482 4.216 5 20 IIBD O=[N+]([O-])c1cc2c(c(CN3CCO[C@@H](c4cc(F)c(Cl)cc4Cl)C3)c1)OCOC2 513447539 NTYRSWLFJQGFHZ-GOSISDBHSA-N 443.258 4.481 5 20 IIBD C[C@@H](Cc1cccc(F)c1)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 519019142 XYEFSJPCEYYTBZ-AWEZNQCLSA-N 439.409 4.280 5 20 IIBD COCCc1ccc(Oc2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 520798566 YSFSTMVIGBRJOB-UHFFFAOYSA-N 428.466 4.377 5 20 IIBD CC(C)(C)c1cc(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)n(C(C)(C)C)n1 523628624 YFQDKWCFSDKDII-UHFFFAOYSA-N 428.537 4.198 5 20 IIBD COc1cc(C(=O)N[C@H](C)c2nc(C(C)(C)C)cs2)c([N+](=O)[O-])cc1OC(F)F 524605498 LWVXSPHLZTWCKO-SECBINFHSA-N 429.445 4.450 5 20 IIBD Cc1c(C(=O)Nc2nc3ccccc3n2C2CCCC2)nnn1-c1cccc([N+](=O)[O-])c1 524844889 QOOBOJUPGWLDLV-UHFFFAOYSA-N 431.456 4.201 5 20 IIBD CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(Cl)cc1 530590571 KHMJZYYKGIVTMC-INIZCTEOSA-N 426.698 4.043 5 20 IIBD O=C(Nc1cc(F)ccc1O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 533963993 HMORQFIFPDMRRY-UHFFFAOYSA-N 427.354 4.313 5 20 IIBD CN1CC[C@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]1c1ccc(Cl)c(F)c1 534959382 GKFRERGYRKELBW-JLCFBVMHSA-N 444.894 4.220 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CSCCCS(=O)(=O)c3ccc(F)cc3)co2)cc1 535506784 HUUGYICROUHYOZ-UHFFFAOYSA-N 436.486 4.486 5 20 IIBD CCN(CCC1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1)CC(C)C 536999511 RNECEGDKQQNLRU-UHFFFAOYSA-N 444.620 4.418 5 20 IIBD O=C(Nc1ccc(-c2ccc[nH]2)cc1)c1ccc([N+](=O)[O-])cc1I 537118546 RHKVJBNVNMKEIK-UHFFFAOYSA-N 433.205 4.447 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(Cc3nnc4n3CCCCC4)cc2)c1 539521885 FYYRBOMVQVYALA-UHFFFAOYSA-N 449.511 4.220 5 20 IIBD CC(C)OCc1cccc(CNC(=O)COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 541293095 XLEWKSVESLUIPT-UHFFFAOYSA-N 426.391 4.234 5 20 IIBD Cc1nc(Cn2cc([N+](=O)[O-])c(C)c(Br)c2=O)oc1-c1ccc(Cl)cc1 542220210 WYDVOCGSELFVMO-UHFFFAOYSA-N 438.665 4.493 5 20 IIBD C[C@@H](C(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1)c1ccc([N+](=O)[O-])cc1F 542537210 MNIVMETXNOFHBU-MRXNPFEDSA-N 445.454 4.402 5 20 IIBD COc1ccc(-c2nc(C)c([C@H](C)NCC(=O)N(C)c3ccc([N+](=O)[O-])cc3)s2)cc1 542570506 YSMQYDKIWVTBFS-AWEZNQCLSA-N 440.525 4.349 5 20 IIBD CC(=O)NC1CCC(N(C)C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 543213032 HDRKPBHTFFWNLS-UHFFFAOYSA-N 427.526 4.265 5 20 IIBD COc1ccc(NC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)cc1[N+](=O)[O-] 543854601 MRCWBHZGZJQWKJ-UHFFFAOYSA-N 441.513 4.080 5 20 IIBD COc1ccc(NC(=O)C(=O)NC(c2cccc(C)c2)c2cccc(C)c2)cc1[N+](=O)[O-] 543930949 KQTAKIXIRIVTDU-UHFFFAOYSA-N 433.464 4.065 5 20 IIBD CN(CC(=O)Nc1ccc(Oc2nncc3ccccc23)cc1)c1ccccc1[N+](=O)[O-] 544030782 RXOWLDDBOQUBJH-UHFFFAOYSA-N 429.436 4.405 5 20 IIBD C[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1ccc([N+](=O)[O-])cc1F 544444790 JIUPZZKQQNRENG-AOMKIAJQSA-N 435.455 4.204 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)c1nc(CCNc2ccccc2[N+](=O)[O-])no1 547088283 MBJUIANHXVYPEW-LLVKDONJSA-N 438.410 4.160 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)cc1[N+](=O)[O-] 553608747 NRHXOEXWFORKNE-TUVUNVSASA-N 439.516 4.063 5 20 IIBD CC[C@@H](NC(=O)c1ccccc1)c1noc(CCOc2ccc(Cl)cc2[N+](=O)[O-])n1 554840326 UWMZEFDVNGJOHA-OAHLLOKOSA-N 430.848 4.134 5 20 IIBD CC(C)(C)C(=O)NC1CCC(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)CC1 556063924 NKINVNIEIVOARP-UHFFFAOYSA-N 443.466 4.207 5 20 IIBD O=C(Nc1nnc(Cc2ccc(F)cc2)s1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 559624336 CERHVQXBVSXKLO-UHFFFAOYSA-N 426.351 4.447 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CNCc2ccccc2OCC2CC2)c1 566648034 AKUOZHRCMMTGQF-UHFFFAOYSA-N 438.265 4.278 5 20 IIBD COc1cc(OC)cc(Oc2cccc(CNC(=O)c3cccc(OC)c3[N+](=O)[O-])c2)c1 567934660 GLZCHMPCFPMPEK-UHFFFAOYSA-N 438.436 4.343 5 20 IIBD O=C(NC1(c2noc(C(F)(F)F)n2)CCCC1)c1cc2cc([N+](=O)[O-])ccc2s1 571239875 KCZQVANOQKGLJN-UHFFFAOYSA-N 426.376 4.411 5 20 IIBD CSc1cccc(C(=O)N2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)c1[N+](=O)[O-] 572846012 LLOXPBRQEVECBQ-GOSISDBHSA-N 441.553 4.060 5 20 IIBD COc1cc(-c2nc(-c3cc(C(F)(F)F)ccc3-n3cncn3)no2)cc([N+](=O)[O-])c1C 579772990 LJLQHMARFUWJOI-UHFFFAOYSA-N 446.345 4.228 5 20 IIBD O=C(c1cccs1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 581897120 OIVIADBHBHJVCG-UHFFFAOYSA-N 437.477 4.047 5 20 IIBD Cn1ccnc1[C@@H](N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1ccc([N+](=O)[O-])cc1 582411604 KGSPLXFYCMRAQA-YWZLYKJASA-N 429.883 4.079 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 583902040 GSMMIMYVOKUZQP-QGZVFWFLSA-N 436.468 4.330 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCCN2c3ccccc3C[C@H]2C1 584045889 LDQZRTCROXRGIM-ZDUSSCGKSA-N 428.361 4.285 5 20 IIBD Cc1ccc(C2(CNC(=O)c3ccc(N4C(=O)CCC4=O)c([N+](=O)[O-])c3)CCCC2)c(C)c1 584371671 NRIGZZLUVMBUGF-UHFFFAOYSA-N 449.507 4.107 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCn4c(nnc4C(F)F)C3)cc2[N+](=O)[O-])cc1 590538823 BBRZKJSOVKHDOK-UHFFFAOYSA-N 445.451 4.240 5 20 IIBD Cc1c(C(=O)N(Cc2ccc(F)cc2F)C2CCCC2)nnn1-c1cccc([N+](=O)[O-])c1 603569630 SQDZUKJLINZBQA-UHFFFAOYSA-N 441.438 4.347 5 20 IIBD COc1cc(CCNC(=O)N[C@@H](C)c2ccccc2OC(C)C)c([N+](=O)[O-])cc1OC 603692175 XXWDBCZZYLYIPZ-HNNXBMFYSA-N 431.489 4.002 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 604031779 LZYLZBBJUYFOGZ-INIZCTEOSA-N 439.493 4.195 5 20 IIBD Cn1cnnc1[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 604104376 RAROCDFWGBVVON-OAHLLOKOSA-N 441.875 4.189 5 20 IIBD CCCC(=O)Nc1nc2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2s1 604113725 BWYNNVORPVNBRP-UHFFFAOYSA-N 434.499 4.052 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(Sc2nncs2)cc1 604117498 SVBAYAZDVVXELA-UHFFFAOYSA-N 428.904 4.052 5 20 IIBD COc1ccc(CNCc2cn(Cc3ccccc3)nc2-c2cccnc2)cc1[N+](=O)[O-] 604473830 VDKIEVNTDHGSTQ-UHFFFAOYSA-N 429.480 4.200 5 20 IIBD COc1ccc(CC(=O)N(C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)cc1[N+](=O)[O-] 609010874 IMQWVHBUOOHFFP-UHFFFAOYSA-N 440.418 4.362 5 20 IIBD COc1ccc(CC(=O)N(Cc2ccc3c(c2)OCO3)C2CCC(C)CC2)cc1[N+](=O)[O-] 609102711 RUTZGQDJNYLPNR-UHFFFAOYSA-N 440.496 4.482 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 609564059 ASWNKRCHVIOTBU-SFHVURJKSA-N 429.826 4.123 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 609705694 BKDQJQFLNPYBHJ-LJAQVGFWSA-N 444.534 4.153 5 20 IIBD COC(=O)[C@@H](NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C(C)(C)C 609877228 GWNQLECPYKWGBL-GOSISDBHSA-N 433.892 4.178 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(OC3CCOCC3)c(C)c2)cc1[N+](=O)[O-] 609980343 GPLHJFZUTVQXSP-UHFFFAOYSA-N 446.525 4.342 5 20 IIBD COc1cc(C(=O)N[C@H](C(=O)O)C(C)(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 610845493 OAVMLPFOGUOCAE-QGZVFWFLSA-N 436.848 4.278 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)c(C)c([N+](=O)[O-])c1 617015781 YXCHUHLELNAGIW-CQSZACIVSA-N 438.440 4.243 5 20 IIBD C[C@H](OC(=O)[C@@H](OC1CCCC1)c1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 727015366 CQHVMCAULQPAEO-XOBRGWDASA-N 430.432 4.305 5 20 IIBD O=C(Nc1ccc(N2CCc3sccc3C2)cc1)c1cc([N+](=O)[O-])cc2c1OCCO2 727310233 XYVGNKXPEBNUKX-UHFFFAOYSA-N 437.477 4.243 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)cc1SC 728471735 XQTXTSXYTVOMRA-ZIAGYGMSSA-N 431.514 4.191 5 20 IIBD C[C@H](OC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)c1ccccc1[N+](=O)[O-] 730922876 MXHIZQOBIZUGPN-INIZCTEOSA-N 425.462 4.487 5 20 IIBD CCCN1C(=S)N[C@@H](c2csc(CC)n2)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)=C1C 731421997 FKGBVCGYKAZWNB-SFHVURJKSA-N 445.570 4.168 5 20 IIBD CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2csc(C(C)(C)C)n2)NC(=S)N1C 731426180 XHWKJENSHXEPOQ-INIZCTEOSA-N 445.570 4.123 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCc3nc4cc(F)ccc4n3C)cc2[N+](=O)[O-])C1 732108575 UOJMCGZFEUUONG-GJZGRUSLSA-N 439.491 4.033 5 20 IIBD C[C@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C)N1C(=O)OC(C)(C)C 733116923 JKZDAHGTXFQCAJ-OKILXGFUSA-N 446.529 4.188 5 20 IIBD C[C@H](OC(=O)c1ccc2nc(C(F)F)[nH]c2c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 733539351 XVEDGCJNRYFYGJ-VIFPVBQESA-N 429.339 4.377 5 20 IIBD O=C(OCc1nc(-c2ccc(Br)s2)no1)c1ccc(Cl)cc1[N+](=O)[O-] 734029460 UQEHYQIVXIPQCT-UHFFFAOYSA-N 444.650 4.479 5 20 IIBD Cc1cc(S(=O)(=O)Oc2ccc(NC(=O)c3sccc3C)cc2)ccc1[N+](=O)[O-] 734495647 QJAYTVWRVNRVSB-UHFFFAOYSA-N 432.479 4.293 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1ccc2c(=O)n3c(nc2c1)CCCCC3 734781441 YYHNZFCBGPBIFZ-UHFFFAOYSA-N 427.844 4.042 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccccc2NC(=O)CC(C)C)cccc1[N+](=O)[O-] 744643345 FUJYWGOHDHXDBG-OAHLLOKOSA-N 427.457 4.072 5 20 IIBD CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1c2ccccc2cc2ccccc12 746510180 UTSBUSZLHIYGSG-UHFFFAOYSA-N 430.529 4.446 5 20 IIBD CCOc1ccc([C@H]2CCCN2c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)cc1 746990497 YFEXTKIWMOEGKV-HXUWFJFHSA-N 445.541 4.120 5 20 IIBD Cc1cccc(-c2nnc([C@@H](C)OC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)o2)c1 748946941 KLVFMURMWRYSGK-CYBMUJFWSA-N 426.385 4.396 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2cc(F)c(F)cc2Br)cccc1[N+](=O)[O-] 750197227 WJVRPPSBUYKYIB-VIFPVBQESA-N 443.200 4.128 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(Cl)cc1 750969311 ZFVJIKIELXSFDW-SNVBAGLBSA-N 441.665 4.045 5 20 IIBD CCOCCOc1c(Cl)cccc1NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] 751270325 AAMHEVXZSWRBNS-UHFFFAOYSA-N 435.285 4.118 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 751361820 SXAFKWDFMJMAOP-QGZVFWFLSA-N 445.324 4.036 5 20 IIBD CC[C@H](C)C(=O)Nc1cccc(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1 752234780 LWDCANDYDCNKEP-LBPRGKRZSA-N 439.921 4.020 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1[N+](=O)[O-] 752253734 IEGGYTKQAHLNRG-UHFFFAOYSA-N 440.749 4.062 5 20 IIBD CC(C)(C)OC(=O)NCCOc1ccc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cc1 752826738 QRCRVRGGGOYVHF-UHFFFAOYSA-N 440.456 4.232 5 20 IIBD Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)OCc1ccc([N+](=O)[O-])cc1 753994733 MZBOBYLHYUNFRY-UHFFFAOYSA-N 447.369 4.342 5 20 IIBD CC[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1ccc2c(c1)OCCO2 754635653 JKENRNKSDOYAQB-ZDUSSCGKSA-N 439.237 4.149 5 20 IIBD CC(=O)c1cccc(NC(=O)[C@H](OC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C(C)C)c1 755059780 GQSZAOZNLWCJQN-ZUOKHONESA-N 430.432 4.247 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1SC 755873536 VUOJDPIOVKTUJY-NVXWUHKLSA-N 430.526 4.393 5 20 IIBD Cc1ccccc1NC(=O)Cc1nc(COC(=O)CCc2cccc([N+](=O)[O-])c2)cs1 756523683 AYEKFCPYUKQMOM-UHFFFAOYSA-N 439.493 4.217 5 20 IIBD CC(=O)N1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c2ccccc21 757642524 NEVRQWNLGDZZCG-OAQYLSRUSA-N 436.512 4.059 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](N[C@@H]1Cc2cccc(O)c2C1)c1ccccc1 759705506 RCCAIHBLBVSGLG-VGOFRKELSA-N 437.883 4.391 5 20 IIBD Cc1nn(C)c(C)c1[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)C(F)(F)F 760768054 WHZNCQXYUZTGBA-CYBMUJFWSA-N 436.184 4.168 5 20 IIBD O=C(OCCn1cc([N+](=O)[O-])ccc1=O)c1cc2sc(Nc3ccccc3)nc2s1 761367556 QGWYWBPSTIKSGG-UHFFFAOYSA-N 442.478 4.028 5 20 IIBD C[C@@H](OC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 766841786 HATWSRBQOHWVGI-LLVKDONJSA-N 436.342 4.185 5 20 IIBD CC(=O)[C@H](Cc1cccc(Cl)c1F)OC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 768640416 RRPCZYTXPOZWHB-SFHVURJKSA-N 445.834 4.145 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 768709396 ANWXJYHKHQGLEP-KRWDZBQOSA-N 437.924 4.500 5 20 IIBD C[C@@H](NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)[C@H](O)c1c(Cl)cccc1Cl 771716325 LOWMLVBRWCPLOW-LZVRBXCZSA-N 436.251 4.007 5 20 IIBD C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 772328863 UUFRDQNPCZMJTQ-IRXDYDNUSA-N 446.548 4.103 5 20 IIBD COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1 772884316 PZADRPQDCXKIGB-BMLIUANNSA-N 441.253 4.011 5 20 IIBD O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N1CCCCC1=O 773431755 QVAKIVWOOBIMCM-IBGZPJMESA-N 447.285 4.154 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC(Oc3ncccc3F)CC2)CC1 773772687 MODWDEZDPFERRW-UHFFFAOYSA-N 442.491 4.049 5 20 IIBD COCCCn1c(SC[C@H](O)c2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1Cl 776271943 PEKBTFOUAXRREP-SFHVURJKSA-N 448.932 4.369 5 20 IIBD CSc1nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)cc2s1 776291108 KEACYHMSCLOZBD-UHFFFAOYSA-N 430.511 4.015 5 20 IIBD Cc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)nn1-c1cccc(F)c1 776716483 SCEWLXAHRKPIJL-UHFFFAOYSA-N 437.200 4.382 5 20 IIBD O=C(COC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)Nc1ccc(SC(F)F)cc1 778168543 CSGCRSJFDLSFJP-UHFFFAOYSA-N 432.351 4.183 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCc1ccc(Cl)c(C)c1 781478428 NLEIYJJMUYGODZ-GOSISDBHSA-N 436.917 4.152 5 20 IIBD COc1cccc(CNC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1OC1CCCC1 781640466 GMYPFEACEKPMKB-UHFFFAOYSA-N 443.456 4.082 5 20 IIBD CO[C@@]1(C(F)(F)F)CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 781794788 MYIJOLXSEFYSEF-ZDUSSCGKSA-N 445.619 4.194 5 20 IIBD COc1cc(CN2CCC(C)(NC(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])cc1OC(F)F 781972936 GDCXTHJEOLBXFQ-UHFFFAOYSA-N 445.463 4.084 5 20 IIBD CCCN(Cc1c(F)cccc1Cl)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 783314463 CBDHYBJOLQPSGU-UHFFFAOYSA-N 428.247 4.418 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 784531546 QXNQPPNOGAQRNN-HNNXBMFYSA-N 430.386 4.429 5 20 IIBD Cc1cc(C)c(NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1Br 784781112 CYPBAZCVNODGLL-UHFFFAOYSA-N 426.654 4.205 5 20 IIBD CCN(Cc1ccccc1)C(=O)[C@H](C)OC(=O)c1sc(Br)cc1[N+](=O)[O-] 785031958 MEVWASZPYVJGHM-NSHDSACASA-N 441.303 4.013 5 20 IIBD Cc1c(C(=O)O[C@H](C)C(=O)c2ccccc2C(F)(F)F)cc([N+](=O)[O-])cc1[N+](=O)[O-] 789032204 LHFGJLQGKGWAFR-SNVBAGLBSA-N 426.303 4.258 5 20 IIBD O=[N+]([O-])c1ccc(I)c(-c2nc(-c3cccc4ncccc34)no2)c1 789854456 AOGWMOCUJIQMQB-UHFFFAOYSA-N 444.188 4.465 5 20 IIBD CCN(CC)[C@H](CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1cccc(OC)c1 790495357 PLLAUPNVJYYTMP-HXUWFJFHSA-N 437.899 4.138 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccc(-n2cnc3ccccc32)nc1 790745531 IKOPBSPMTBDEAY-UHFFFAOYSA-N 425.807 4.302 5 20 IIBD O=C(COc1cc(Cl)c(Cl)cc1[N+](=O)[O-])N1CCO[C@@H](c2ccc(F)cc2)C1 794499459 YOSJSDMMNFYGPJ-QGZVFWFLSA-N 429.231 4.020 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])Cn1nc(-c2ccco2)n(Cc2ccco2)c1=S 795645786 YJCFBWRPHSUUQL-UHFFFAOYSA-N 439.497 4.356 5 20 IIBD O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)N1CCC(c2ccsc2)CC1 795935959 GHJUGJXCSQOGHW-UHFFFAOYSA-N 449.323 4.126 5 20 IIBD CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)OC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] 796444884 RXKBXOFBSFPWAQ-CQSZACIVSA-N 438.436 4.392 5 20 IIBD C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O 798170957 LXNYSHHESOOGNR-GFCCVEGCSA-N 449.294 4.496 5 20 IIBD CCOC(=O)N1CCC(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 799320352 XIHKAPWXVIKFNE-UHFFFAOYSA-N 429.498 4.097 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 799783420 CBTVFKZVROCHQX-OALUTQOASA-N 433.549 4.317 5 20 IIBD CC(C)(C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1csc(-c2cccs2)n1 800292076 JDBPZBSHVFOMDQ-UHFFFAOYSA-N 449.485 4.378 5 20 IIBD CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N 801825097 NRIMAOVQFVJQTB-UHFFFAOYSA-N 425.464 4.191 5 20 IIBD CCOC(=O)C(C)(C)CC(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 805855197 GPAKRUKRSJTNSN-UHFFFAOYSA-N 448.859 4.385 5 20 IIBD CN(CC(F)(F)Br)C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 807865033 XTDHDYAOFRCEFA-UHFFFAOYSA-N 437.184 4.152 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c(Cl)cc1Cl 809830961 KSIOAOWDXCVUPO-WBMJQRKESA-N 449.287 4.239 5 20 IIBD O=C(c1cnnc(-c2ccccc2)c1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 810719964 BELDZIBBGIMQED-UHFFFAOYSA-N 439.269 4.013 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)C1 814432783 TWYCIHLGFHCZSI-RTBURBONSA-N 431.533 4.023 5 20 IIBD CC[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C(=O)c1ccc(NC(C)=O)cc1 815511449 KCYOVDWXTZYOAE-QGZVFWFLSA-N 438.358 4.390 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 817209368 RKFKYBLCJVCPJK-UHFFFAOYSA-N 431.533 4.383 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2cccnc2OCC(F)F)c(-c2cccs2)c1 820782078 UVOSOCAOHDJZQH-UHFFFAOYSA-N 442.421 4.130 5 20 IIBD O=C(NC[C@@H]1CC1(Cl)Cl)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 913814625 DCSQTQDWTARUJO-LBPRGKRZSA-N 440.249 4.140 5 20 IIBD O=[N+]([O-])c1c(NCC2(c3cccc(Br)c3)CCOCC2)nc2ccccn12 917090829 SCJIOOGIVKFSSX-UHFFFAOYSA-N 431.290 4.165 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@@H](C)c1cc(F)ccc1F 917963407 WLMCYGDVNDLHBG-SGTLLEGYSA-N 438.452 4.029 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2c(C(N)=O)oc3ccccc23)cc1[N+](=O)[O-])c1ccccn1 919709861 RJHGATSEEQJTSD-ZDUSSCGKSA-N 445.435 4.260 5 20 IIBD C[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc(N2CCOC2=O)c1 920978329 VTRLEPLJZSRWQZ-NSHDSACASA-N 436.371 4.036 5 20 IIBD COc1cccc([C@H]2[C@@H](c3nc(-c4cc(C)c([N+](=O)[O-])cc4C)no3)CC(=O)N2C2CC2)c1 1339199838 XJNZMXFTHMBJNT-UGKGYDQZSA-N 448.479 4.490 5 20 IIBD COC(=O)c1cnc(NCCSc2ncc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])c1 1339450311 GFEQTYIOYBMCCH-UHFFFAOYSA-N 436.799 4.048 5 20 IIBD C[C@@H](Oc1ccccc1)C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1 1785751222 TZEPRLXUVKOSRP-MRXNPFEDSA-N 449.463 4.403 5 20 IIBD O=C(CC(F)(F)F)Nc1ccc(C2(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)CCC2)cc1 1787876428 HPIJGCITBYOJDK-UHFFFAOYSA-N 437.374 4.001 5 20 IIBD C[C@@H]1C[C@]1(C)C(=O)Nc1ccc(C2(NC(=O)Cc3cc(F)ccc3[N+](=O)[O-])CCC2)cc1 1790427936 WKHRYHBUQBLRQX-CMJOXMDJSA-N 439.487 4.457 5 20 IIBD Cc1ccn(C)c1C(=O)NC1(c2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc2)CCC1 1790756525 KKESECTWNCOHSH-UHFFFAOYSA-N 448.479 4.009 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])NC1(c2ccc(NC(=O)C3CC3)cc2)CCC1 1792070158 MAEPDIPSJJNSKH-UHFFFAOYSA-N 425.510 4.231 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/C1CCCCC1 1800125060 PCUJOOTVLVMSLT-IQNRJQOSSA-N 437.540 4.383 5 20 IIBD Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(F)cc([N+](=O)[O-])c2)c1Cl 1800525471 DZOOGXNJPSBGCH-BJWYYQGGSA-N 445.878 4.261 5 20 IIBD CC1(C)CCC(CC(=O)N2CC3(CCCN3C(=O)c3ccc([N+](=O)[O-])cc3F)C2)CC1 1845315349 SWLNYLQANMHFKA-UHFFFAOYSA-N 431.508 4.157 5 20 IIBD COc1ccc(Br)cc1/C=C1/N=C(c2ccc(Cl)c([N+](=O)[O-])c2)OC1=O 3087567 AAMXLPJEYHGKHC-NTUHNPAUSA-N 437.633 4.364 5 20 IIBD COc1ccc(-c2nc(COC(=O)c3cc(OC)c(OC)cc3[N+](=O)[O-])cs2)cc1 9488196 PCUMWRFPGKZKBV-UHFFFAOYSA-N 430.438 4.101 5 20 IIBD CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 15615338 SXKRSSVLAAIPAQ-KRWDZBQOSA-N 428.510 4.470 5 20 IIBD COc1ccc(-c2nc(C)c(C(=O)O[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])s2)cc1 19619321 YRRKUAHKXZENMU-CYBMUJFWSA-N 441.465 4.219 5 20 IIBD CC(=O)NCc1ccc(-c2csc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)n2)s1 21902609 PLWIGTKPSYYMAJ-UHFFFAOYSA-N 448.551 4.147 5 20 IIBD CC(C)CCSc1ccc(C(=O)Nc2ccccc2NS(C)(=O)=O)cc1[N+](=O)[O-] 24886423 FSFHROYWQZWFRK-UHFFFAOYSA-N 437.543 4.357 5 20 IIBD CCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2c(C(C)=O)oc3ccccc23)cc1[N+](=O)[O-] 25386722 LQTJRTQWYRFOEA-ZDUSSCGKSA-N 440.408 4.126 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2c(-c3ccccc3Cl)noc2C)c([N+](=O)[O-])c1 28302162 URKZHIMTHOQRBR-UHFFFAOYSA-N 445.815 4.016 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1 29252061 FGKSJGBZDCYDBO-QGZVFWFLSA-N 449.532 4.213 5 20 IIBD CCN(CC)[C@@H](CNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])c1ccccc1Cl 32317729 HSNQOZUEMSWPLG-SFHVURJKSA-N 435.908 4.078 5 20 IIBD COc1cc(CCNC(=O)c2cccnc2Sc2ccccc2)c([N+](=O)[O-])cc1OC 45862349 IXKFWVOZXSPDHG-UHFFFAOYSA-N 439.493 4.131 5 20 IIBD CCCOc1ccc(Oc2ncccc2CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1 58431939 DRHYXHAFNCTFHB-UHFFFAOYSA-N 440.431 4.222 5 20 IIBD COc1cc(C(=O)Nc2cc(Cl)ccc2NC(C)=O)c([N+](=O)[O-])cc1OC(F)F 58719372 LTNARNOKYVNOMC-UHFFFAOYSA-N 429.763 4.069 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 62000661 AJXHBNLYKDRZBN-UHFFFAOYSA-N 436.449 4.028 5 20 IIBD CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 62402214 BYHYOXIYHBSENF-UHFFFAOYSA-N 442.850 4.445 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cccc(COCCc3ccccc3)c2)c([N+](=O)[O-])c1 64938581 WVGBNKYLLNZXOU-UHFFFAOYSA-N 442.493 4.164 5 20 IIBD C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 68927412 LBMKQONIBJOKCM-GASCZTMLSA-N 429.448 4.155 5 20 IIBD COc1cccc(Cn2nccc2NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1OC 96967490 WCJIUWJIEXKLIT-UHFFFAOYSA-N 438.484 4.407 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(Cc1cccs1)Cc1cccs1 110483888 VNEMIESKBLONEY-CQSZACIVSA-N 429.523 4.065 5 20 IIBD O=c1c(Cl)c(NC2CCN(CC3CCCCC3)CC2)cnn1-c1ccc([N+](=O)[O-])cc1 301198849 VJQZFWLGTFSGEG-UHFFFAOYSA-N 445.951 4.251 5 20 IIBD Cc1noc(C)c1[C@H](C)Nc1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-] 301287151 OURRCAQNEZHILH-UYJPIKCFSA-N 436.534 4.230 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(c2nc(-c3ccccn3)no2)CC1 303165732 QAPCTJXOYPUZJA-AWEZNQCLSA-N 447.455 4.030 5 20 IIBD CC(C)(C)c1nc2cc(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)ccc2o1 303529338 RKVXNOJXQRXZNK-CQSZACIVSA-N 442.497 4.338 5 20 IIBD Cc1ccc(-c2csc(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)n2)cc1 303546623 ZLFCHSVJGBVTPO-OAHLLOKOSA-N 442.522 4.332 5 20 IIBD COc1cc(C(=O)Nc2ccccc2NC(=O)Cc2cccs2)c([N+](=O)[O-])cc1OC 409985217 WEGSLZKXOPHMKU-UHFFFAOYSA-N 441.465 4.107 5 20 IIBD Cc1csc(-c2cccc(S(=O)(=O)Nc3cc(-c4cccc([N+](=O)[O-])c4)[nH]n3)c2)n1 410326463 FDADWOHURMXNJZ-UHFFFAOYSA-N 441.494 4.218 5 20 IIBD Cn1c(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nc2cccc(Cl)c21 426185344 YTROSWKPGBWIKW-UHFFFAOYSA-N 441.797 4.153 5 20 IIBD O=C(O)C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)c(F)c1 431802386 WXHBPROHZCJOPG-ZDUSSCGKSA-N 447.271 4.465 5 20 IIBD Cc1ccc(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C 432961521 OJKQWWBQNXASCP-UHFFFAOYSA-N 448.545 4.037 5 20 IIBD CSc1ccccc1NC(=O)CN(C)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 435939074 NFHDTPVSGPFABG-UHFFFAOYSA-N 449.507 4.253 5 20 IIBD COc1ccc(-c2ccn(-c3ccc(SCC(=O)c4ccc([N+](=O)[O-])cc4)nn3)n2)cc1 436253471 PMDBQECAGMPPSO-UHFFFAOYSA-N 447.476 4.221 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ncc(-c3ccccc3)[nH]2)cc1[N+](=O)[O-] 439198314 CGOUCHSKHCJICF-LJQANCHMSA-N 426.498 4.209 5 20 IIBD CCOc1ccc(NC(=O)CN2CCCc3c([nH]c4c(F)cccc34)C2)c([N+](=O)[O-])c1 439482871 ZDFIZQNTLTYGEE-UHFFFAOYSA-N 426.448 4.001 5 20 IIBD O=C(CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1ccccc1-c1ccccc1 440483197 CNGCCZGWVQELFZ-IBGZPJMESA-N 431.496 4.172 5 20 IIBD O=C(CCc1nc2cc(Br)ccc2s1)N1CCc2cc([N+](=O)[O-])ccc21 443832328 JOEJDMWLDKDLQH-UHFFFAOYSA-N 432.299 4.489 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCc1nc(-c2ccc(NC(=O)Nc3ccccc3)cc2)no1 445185145 JDGSMJZTGSPUEP-UHFFFAOYSA-N 433.428 4.036 5 20 IIBD Cc1ccc([C@H]2OCCC[C@H]2NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1 445933778 ZVEPQXSAIHGKQD-UYAOXDASSA-N 433.302 4.245 5 20 IIBD Cc1c(C)n(C[C@@H]2CCCO2)c2ncnc(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)c12 445961192 SISOFEKUFOLDNA-CJNGLKHVSA-N 441.463 4.017 5 20 IIBD O=C(Nc1cccc(Oc2ccccc2)c1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 446420117 ZSKNOCASOFZIER-UHFFFAOYSA-N 449.419 4.126 5 20 IIBD Cn1nc([N+](=O)[O-])cc1C(=O)Nc1sc2c(c1C(=O)c1ccc(Cl)c(F)c1)CCC2 446435296 WXZWUPQVGFTCDB-UHFFFAOYSA-N 448.863 4.154 5 20 IIBD O=C(CN1CCCCCC1)Nc1ccc(N[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 447587440 RCYFBJXBUFOXTC-SFTDATJTSA-N 440.548 4.202 5 20 IIBD O=C(NC1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC1)c1ccccc1 447675187 LGOBZNCSAPXERY-UHFFFAOYSA-N 444.360 4.043 5 20 IIBD COc1cc(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])cc(OC)c1OC 447687089 HTMDYUIMXGOOFF-UHFFFAOYSA-N 437.321 4.282 5 20 IIBD CCOc1cc(C(=O)N2CCN([C@H](C)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])cc1OC 460521786 CCQFKIYUEJOWBD-OAHLLOKOSA-N 447.919 4.175 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@@H]3c3cccc(F)c3)n2C[C@H]2CCOC2)c1 461366042 MDPOZDXBLYBPGB-IIBYNOLFSA-N 437.475 4.370 5 20 IIBD CCOC(=O)c1cc(C(=O)NCCc2nc(-c3ccccc3)c(C)s2)cc([N+](=O)[O-])c1 461471163 ADLMKSGNKGSDHL-UHFFFAOYSA-N 439.493 4.176 5 20 IIBD Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 461738779 ULISVMNHLMUDBB-OSXTUODASA-N 447.900 4.488 5 20 IIBD C[C@H]1C[C@H](c2ccccc2F)N(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 462593659 PZOVZWZIXRLSFD-APPDUMDISA-N 443.294 4.268 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 462935364 ISAKOXDZMMNOTM-JOCHJYFZSA-N 439.556 4.201 5 20 IIBD CCc1c(C)sc2nc(Sc3ncc(C)cc3[N+](=O)[O-])n(C[C@H]3CCCO3)c(=O)c12 463051335 BFNBYOWDUGQNHD-CYBMUJFWSA-N 446.554 4.271 5 20 IIBD CC(C)(NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 465316710 MREWIONTEFLDRO-UHFFFAOYSA-N 428.436 4.335 5 20 IIBD O=C(Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)c1ccc(F)cc1[N+](=O)[O-] 466288382 RENPFRLQDARTLT-UHFFFAOYSA-N 428.441 4.101 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCN(c3cccs3)CC2)cc1 466917488 QQYCMCXCTXZCOM-UHFFFAOYSA-N 439.493 4.420 5 20 IIBD Cc1sc(S(=O)(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)cc1[N+](=O)[O-] 466969548 QCMXZTSHLLMKGW-UHFFFAOYSA-N 449.485 4.086 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCc3nnc(C(C)(C)C)s3)cc2[N+](=O)[O-])C1 467319983 RBFFIEJKBLCHKE-KBPBESRZSA-N 431.562 4.156 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N(C)CCC(=O)OC(C)(C)C)cc2[N+](=O)[O-])n1 468197636 WMMOOIPGKJLRLX-UHFFFAOYSA-N 437.543 4.315 5 20 IIBD COc1cc(CNCc2nc3cc(C)ccc3n2C)c([N+](=O)[O-])cc1OCC(F)(F)F 470541267 AUNUGIBSSJNWHA-UHFFFAOYSA-N 438.406 4.029 5 20 IIBD O=C(NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 471004999 JPFHGLUGJFNJAY-UHFFFAOYSA-N 441.793 4.054 5 20 IIBD CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1cc(C)ccc1[N+](=O)[O-] 471258140 JTSUKJVFQCEJQY-INIZCTEOSA-N 425.268 4.114 5 20 IIBD O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 472274754 KFEGLTDFSVAYMW-NRFANRHFSA-N 433.855 4.348 5 20 IIBD CN(Cc1nc(C(F)(F)F)cs1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 472693883 RSNPHCPLGHTSLE-UHFFFAOYSA-N 426.323 4.335 5 20 IIBD O=C(N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)c1c(Cl)cccc1[N+](=O)[O-] 476097878 UBBILHCKFPNDAD-ZDUSSCGKSA-N 442.686 4.480 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H](c2cc(F)cc(Br)c2)C2CC2)cc1 478768753 OWLWRCVVZYOIIR-QGZVFWFLSA-N 443.294 4.067 5 20 IIBD COc1cc(COc2ccc(F)cc2-c2ccnn2C)c([N+](=O)[O-])cc1OCC(F)F 478812686 KKJXCHAJLBCGOS-UHFFFAOYSA-N 437.374 4.366 5 20 IIBD O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@H](c2ccc(F)c(Br)c2)C1 479235489 DOWBQEKJUIJKMP-INIZCTEOSA-N 443.656 4.364 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@H](C)C(=O)Nc3ccccc3)cc2[N+](=O)[O-])n1 480048560 CKJUDBPZWJOUMJ-CYBMUJFWSA-N 442.522 4.268 5 20 IIBD O=C(NCc1ccccc1Cn1ccnc1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 481170463 VCCBVSKFGXFNGX-UHFFFAOYSA-N 441.491 4.382 5 20 IIBD O=[N+]([O-])c1ccc(NCc2nnc3ccc(C(F)(F)F)cn23)nc1-c1ccc(F)cc1 485397632 XKTBAOZIJPAHST-UHFFFAOYSA-N 432.337 4.470 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCC1(Cc2ccccc2)CCCC1 487297408 KLJOCOHUQVBTRI-UHFFFAOYSA-N 437.496 4.202 5 20 IIBD Cn1ccnc1[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(Cl)cc1 498237465 OMABSLXJEOLXGE-INIZCTEOSA-N 436.802 4.103 5 20 IIBD O=C(NCc1ccccc1)c1cccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1 498387391 XPOHLQJKFPMYKO-UHFFFAOYSA-N 426.432 4.325 5 20 IIBD CC(C)(C)c1nc(CCNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cs1 498405751 IBPCSXGXBBOVOL-UHFFFAOYSA-N 431.436 4.262 5 20 IIBD Nc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(CNC(=O)Nc2ccccc2Cl)c1 500145147 MWATWVFIEWYXKL-UHFFFAOYSA-N 439.859 4.404 5 20 IIBD Cc1cnc(O)n1-c1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 501983538 MMYIVWZXZSMSPH-ZIAGYGMSSA-N 443.891 4.126 5 20 IIBD COc1cc(CNc2cc(NC(C)=O)ccc2Cl)c([N+](=O)[O-])cc1OCC(F)F 502651029 HHLWBWJRKKAPEQ-UHFFFAOYSA-N 429.807 4.471 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1cc(C2CCC2)nn1-c1ccccc1 503482522 MMTZUTODMADCGX-UHFFFAOYSA-N 434.452 4.000 5 20 IIBD COc1cccc(Cc2nnc(NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)s2)c1 504135758 LFBSAYXFNTWHJD-UHFFFAOYSA-N 441.513 4.488 5 20 IIBD CCCOc1cc(NC(=O)NC[C@H]2CCCn3cc(C)nc32)c([N+](=O)[O-])cc1OCCC 506082775 GXZJFAOAXFZLKK-MRXNPFEDSA-N 445.520 4.376 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc2c(Br)cccc2s1 508100455 GKRMOJJGEXXNIU-UHFFFAOYSA-N 428.289 4.076 5 20 IIBD CCOC(=O)c1sc2cccc(F)c2c1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 508512420 OYTXKKNSUHKAAO-UHFFFAOYSA-N 426.429 4.432 5 20 IIBD CC(C)(C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1)c1ccccc1[N+](=O)[O-] 508586812 IQUNVDFEYVHCEM-OAHLLOKOSA-N 432.318 4.030 5 20 IIBD COc1cc(CN2CCC[C@@H](c3nc(C)no3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 509370982 HRHOIXAANWYAOG-LJQANCHMSA-N 438.484 4.253 5 20 IIBD CCn1c([C@@H]2CCCN2S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)nc2ccccc21 509666155 OJYXYEIMSVBBFT-IBGZPJMESA-N 428.514 4.107 5 20 IIBD Cc1cc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2I)c(C)s1 511287520 SDTBVLFBYXSASV-VIFPVBQESA-N 430.267 4.369 5 20 IIBD CCC(CC)(CNC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1 513432515 AUKYWUBURCXOMN-UHFFFAOYSA-N 431.876 4.030 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccccc2COCc2ccccc2)cc1[N+](=O)[O-] 515634957 XUKLKIOPOKVBEK-UHFFFAOYSA-N 428.466 4.121 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN3CCCC[C@H]3c3nc(-c4ccccc4)no3)o2)cc1 519516257 FASGZDNTBLYBBY-SFHVURJKSA-N 432.440 4.422 5 20 IIBD COc1cc(Cc2noc(-c3cc4c(C(C)C)nn(C)c4s3)n2)c([N+](=O)[O-])c(OC)c1 519805337 RWRRHFZGCUNSQL-UHFFFAOYSA-N 443.485 4.324 5 20 IIBD CCc1c(C(=O)N2CCc3c2cccc3[N+](=O)[O-])cnn1-c1ccc(Br)cc1 523166384 ZXBVMPKSKRBFPG-UHFFFAOYSA-N 441.285 4.308 5 20 IIBD COc1cc(C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)c([N+](=O)[O-])cc1OCc1cscn1 525079191 BVAXBQGRWSQVIV-NVXWUHKLSA-N 431.514 4.338 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC=C(c2ccc3c(c2)OCCO3)CC1 538942934 JAVBJUMAIXWCMA-CQSZACIVSA-N 443.887 4.136 5 20 IIBD Cc1cc(C)cc(C2=CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)CC2)c1 539903917 SSSLQFBIFMIBQQ-LJQANCHMSA-N 439.537 4.194 5 20 IIBD CCO[C@H](C)c1nc(CN2CCN(c3cc(C)nc4ccc([N+](=O)[O-])cc34)CC2)cs1 541189866 NHCNVIMKJVQSJU-MRXNPFEDSA-N 441.557 4.328 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 542180453 VXVKAHGKLFLFRF-HNNXBMFYSA-N 438.328 4.271 5 20 IIBD C[C@H]1CSc2ccc(Cl)cc2N(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 542330615 MAZUJKXDRLDPNV-GFCCVEGCSA-N 429.889 4.218 5 20 IIBD C[C@H](C[S@](C)=O)NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 543368199 ZBWVSYZFVYZIDI-DLSIRMBBSA-N 443.550 4.018 5 20 IIBD Cc1ccc(-c2csc(NC(=O)c3cccc(S(=O)(=O)C(C)C)c3)n2)cc1[N+](=O)[O-] 546025069 OQULYCQKWVBEQH-UHFFFAOYSA-N 445.522 4.461 5 20 IIBD Cc1cccc(C)c1OCc1nnc(Sc2ncc([N+](=O)[O-])cn2)n1-c1ccccc1 546152200 BNJJMXYDOCDSER-UHFFFAOYSA-N 434.481 4.313 5 20 IIBD O=C1[C@@H](c2nc(Cc3ccccc3[N+](=O)[O-])no2)CCN1c1ccc(Cl)c(Cl)c1 546242234 LIUNANWYPULILF-CYBMUJFWSA-N 433.251 4.396 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(C[C@H]3OCCc4ccccc43)n2)c(Br)c1 546442968 WZAQXYCPUDEBCQ-QGZVFWFLSA-N 430.258 4.188 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)Nc2c(Cl)cc(Br)cc2Cl)c1 550640741 CCYUIKOCDIAIGA-UHFFFAOYSA-N 426.075 4.465 5 20 IIBD Cc1ccc(CN2CC[C@H](CN(C)C(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)C2)s1 552001941 IHTNJKKMBOSAPB-DLBZAZTESA-N 433.599 4.426 5 20 IIBD COc1ccc(CN2CC[C@@]3(CCCN(C)C3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 552357498 CAIISEGILLYXBJ-XMMPIXPASA-N 425.529 4.100 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 552681662 IXPAVSQQUKOSST-DEOSSOPVSA-N 448.548 4.457 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1 554426305 NUJALWDMASMNLR-UHFFFAOYSA-N 446.507 4.274 5 20 IIBD O=C(N[C@H]1CCN(c2ccccc2F)C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 561597241 SUQZFXUSLJCTCH-SFHVURJKSA-N 435.455 4.322 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CCN2CCOCC2)CC1 561916400 RRMHXQAGTMXBDZ-UHFFFAOYSA-N 435.590 4.062 5 20 IIBD Cc1nn(-c2ccc(Br)cc2)cc1-c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 564516980 KHMNWFHIYXCDTB-UHFFFAOYSA-N 441.245 4.151 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(-c3ccccn3)cc2)cc1[N+](=O)[O-] 569296192 OTJWXRKUSMZKRS-UHFFFAOYSA-N 432.465 4.189 5 20 IIBD Cc1ccc(NC(=O)C(=O)NC2(c3ccc(C(F)(F)F)cc3)CCCC2)cc1[N+](=O)[O-] 572770893 NENMCBKMYNFUMB-UHFFFAOYSA-N 435.402 4.446 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@H]2C[C@H](c3ccccc3Cl)C2)ccc1[N+](=O)[O-] 578059386 MRJJTKLRHVWJMT-CBGDNZLLSA-N 441.915 4.224 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 583286838 IAYYQNUDYOKFBE-KZNAEPCWSA-N 431.286 4.002 5 20 IIBD C[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1 584697732 LKVDWIHMZCZPRK-NYHFZMIOSA-N 430.464 4.380 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)c1nc(-c2ccccc2)no1 586855200 OUBPFJMJTPQOSH-KRWDZBQOSA-N 442.497 4.000 5 20 IIBD COc1cc(CNc2ccc(F)c(-c3nc[nH]n3)c2)c([N+](=O)[O-])cc1OCC(F)(F)F 600847604 WDLDUJYFLSNWIJ-UHFFFAOYSA-N 441.341 4.081 5 20 IIBD CC(C)(C)c1ccc(Oc2ccc(CNC[C@H]3CCS(=O)(=O)C3)cc2[N+](=O)[O-])cc1 603495865 NBQSTPDLBLPNIH-QGZVFWFLSA-N 432.542 4.209 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1 604079966 IDDMTKMAWXKJNH-UHFFFAOYSA-N 438.415 4.317 5 20 IIBD O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 604195975 YFUUIXSLOMKKIZ-UHFFFAOYSA-N 438.871 4.169 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H]1c1cccc2c1OCCO2 608969480 AQLKHRPADISVFU-XJKSGUPXSA-N 432.860 4.150 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCCc2ccc(O)c(OC)c2)cc1 609635544 TYXDMADINVUDQG-UHFFFAOYSA-N 438.436 4.082 5 20 IIBD CC(C)n1cc2cc(NC(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)ccc2n1 609832068 DKGNMFZOAZTURO-UHFFFAOYSA-N 437.485 4.057 5 20 IIBD O=C(Nc1ccc(N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c(C(F)(F)F)c1)C1CC1 610577113 HECSTQQEIVUHET-GOSISDBHSA-N 448.401 4.180 5 20 IIBD Cc1c(NC(=O)[C@H](C)N[C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)cccc1[N+](=O)[O-] 612051709 JSMLLJYUPOYKNR-BWKHYTDRSA-N 436.556 4.121 5 20 IIBD CCN(Cc1cccc(Br)c1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] 725828848 VJVCLGLRIUKFSU-UHFFFAOYSA-N 433.711 4.222 5 20 IIBD O=C(OCc1nnc(-c2c(Cl)cccc2Cl)o1)c1cc2c(cc1[N+](=O)[O-])OCO2 726635336 DWGVQKVIEZOUDN-UHFFFAOYSA-N 438.179 4.037 5 20 IIBD CCCN(C(=O)c1cc([N+](=O)[O-])ccc1Br)[C@H](C)C(=O)Nc1ccccc1 726755444 NGJXQEJIUCIBAN-CYBMUJFWSA-N 434.290 4.237 5 20 IIBD O=C(c1csc(-c2ccccc2Cl)n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 727299027 UNLNREDYNQXVQH-UHFFFAOYSA-N 428.901 4.334 5 20 IIBD O=C(c1cc(Cl)nc(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727330138 ZWWFVUARPCTPDM-UHFFFAOYSA-N 449.216 4.278 5 20 IIBD O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CCC[C@@H](C2OCCO2)C1 728077986 VLRVOHSPBPHIHD-QGZVFWFLSA-N 445.903 4.085 5 20 IIBD O=[N+]([O-])c1cc(-c2ccccc2)ccc1OS(=O)(=O)c1c(Cl)nc2sccn12 728584793 BTANCDYOTULXDX-UHFFFAOYSA-N 435.870 4.392 5 20 IIBD CC(C)COc1ccc(CC(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 730368212 VBCLSIREYNCYBG-AWEZNQCLSA-N 434.876 4.396 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1OC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F 730478176 NQJJRXFTCBAAOZ-UHFFFAOYSA-N 426.738 4.375 5 20 IIBD O=C(Cc1cccc(C(F)(F)F)c1)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730709292 UOQADKJXLHBMCX-INIZCTEOSA-N 436.386 4.004 5 20 IIBD O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1c(Cl)cccc1[N+](=O)[O-] 731964387 IOULZIFRECADAD-UHFFFAOYSA-N 444.900 4.461 5 20 IIBD Cn1cc(CNCC(=O)Nc2cc(Cl)ccc2Cl)c(-c2ccc([N+](=O)[O-])cc2)n1 732228551 QCRLUEBSSWCNMG-UHFFFAOYSA-N 434.283 4.030 5 20 IIBD COc1ccc(CSCC(=O)OCc2cc(Br)cs2)cc1[N+](=O)[O-] 733220808 ZLTRPDNPFJIHGJ-UHFFFAOYSA-N 432.317 4.404 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1c(Cl)cccc1[N+](=O)[O-] 733491682 PCQGKVLJERNFIA-CQSZACIVSA-N 428.750 4.229 5 20 IIBD COc1cc(C(=O)NCCOc2cccnc2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 733941304 UGWHXAKZXICVLC-UHFFFAOYSA-N 443.843 4.253 5 20 IIBD CCc1ccc(-c2noc(COC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 735148759 PAHXLVWVZOZNPS-UHFFFAOYSA-N 431.832 4.373 5 20 IIBD O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 735699161 LCOXAFFFQLTTPP-MRXNPFEDSA-N 438.292 4.489 5 20 IIBD COCCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C 736157645 BWEKNYHFBJOSBX-UHFFFAOYSA-N 430.848 4.020 5 20 IIBD C[C@@H](OC(=O)c1csc(Nc2ccccn2)n1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 736901446 BTAIXYOLWMQYSD-LLVKDONJSA-N 438.425 4.158 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)Cc2cccc(C(F)(F)F)c2)c(Br)c1 738403001 DIKGVWRTEXSUQH-UHFFFAOYSA-N 440.193 4.285 5 20 IIBD CC1=C(C(=O)N(C)C)[C@H](c2cc(Cl)ccc2[N+](=O)[O-])NC(=S)N1c1ccccc1 739667822 VHUKYHUWVPSIAT-SFHVURJKSA-N 430.917 4.046 5 20 IIBD COc1ccc(Cl)cc1C[C@H]1CCCN(Cn2cc(Br)c([N+](=O)[O-])n2)C1 741244299 DDDQYEDZVLSFIL-GFCCVEGCSA-N 443.729 4.128 5 20 IIBD Cc1nc([N+](=O)[O-])c(Br)n1Cc1ncc(-c2ccc(Br)cc2)o1 741852488 FYDXNDWDXNXGDG-UHFFFAOYSA-N 442.067 4.328 5 20 IIBD CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2scnc2C)NC(=S)N1CC(C)C 743740084 OWRJDJSNJOUXEU-KRWDZBQOSA-N 445.570 4.160 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3cc4ccccc4nc3O)CC2)ccc1[N+](=O)[O-] 744202610 IARBSFCIBGCIHY-UHFFFAOYSA-N 437.452 4.073 5 20 IIBD COc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(OC)c1 745567866 GUJOAOPPZCQQEU-SNVBAGLBSA-N 427.331 4.059 5 20 IIBD O=C(OCC(=O)N1CCC[C@@H]2CCCC[C@@H]21)c1csc(-c2cccc([N+](=O)[O-])c2)n1 747962613 QSKFTWPXQNJQCP-KSSFIOAISA-N 429.498 4.056 5 20 IIBD CCOc1ccc([C@H]2CCCN2C(=O)COC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1 750533803 UXZPFCMPJYIGJT-GOSISDBHSA-N 432.860 4.167 5 20 IIBD Cc1ccccc1-c1noc(COC(=O)c2cc([N+](=O)[O-])c(Br)cc2F)n1 751691505 IWTGLAKNIHRNRS-UHFFFAOYSA-N 436.193 4.212 5 20 IIBD O=C(N[C@H](C1CCCC1)C(F)(F)F)c1cc([N+](=O)[O-])ccc1I 752473796 MZRIEBAIWOIALT-GFCCVEGCSA-N 442.175 4.050 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N[C@H](C)c2cc(F)ccc2N2CCC(O)CC2)cc1[N+](=O)[O-] 752949014 CLIUCQAMXZDXQB-JKSUJKDBSA-N 444.507 4.125 5 20 IIBD Cc1cc(F)cc(C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)c1[N+](=O)[O-] 753093251 VWZJBKHXQMCCRQ-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD O=C(NCc1cccc(OCC(F)F)c1)c1cc(F)cc([N+](=O)[O-])c1Br 754637791 XYRFZPYFPXYNSG-UHFFFAOYSA-N 433.180 4.070 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Oc2ccc3c(C(F)(F)F)cc(=O)oc3c2)cc1[N+](=O)[O-] 755056165 DDIVTACSAAVPRF-UHFFFAOYSA-N 443.355 4.105 5 20 IIBD CCOc1cc(COC(=O)c2nc(C(C)C)n(-c3ccccc3F)n2)ccc1[N+](=O)[O-] 755545098 NDCPXBOPMYJQOT-UHFFFAOYSA-N 428.420 4.194 5 20 IIBD C[C@H](OC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C(=O)Nc1ccc(Br)cc1 756765904 MQLYFRLSGQVJDQ-JTQLQIEISA-N 432.230 4.023 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC(C(=O)c2ccc(OC)cc2)CC1 757700790 CRIZMJRXOVAQTK-UHFFFAOYSA-N 432.860 4.143 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1c(Cl)cc(Cl)cc1Cl 758077373 BDTXKJNOGICRAL-UHFFFAOYSA-N 436.610 4.072 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Oc2ccc3c(C(F)(F)F)cc(=O)oc3c2)c1 758421656 QZLNKJIBVPPVRE-UHFFFAOYSA-N 443.355 4.105 5 20 IIBD CCCc1c(C(=O)OCC(=O)Nc2c(C)cccc2[N+](=O)[O-])cnn1-c1ccc(C)cc1 758880949 BABMVAGZCURHAD-UHFFFAOYSA-N 436.468 4.145 5 20 IIBD O=C(N[C@@H](CN1CCCCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1Br 760839954 XJVXNEGHCIEIDL-KRWDZBQOSA-N 432.318 4.314 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc(Cl)cc1Br 761285829 ZWSVCWDQCHOJEM-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 762598514 PBCUXEHQIQHSEE-AWEZNQCLSA-N 437.512 4.163 5 20 IIBD COc1cccc([C@H](O)CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)Cc2ccccc2)c1 766977955 SPLCUIHJQNFFEY-XMMPIXPASA-N 449.507 4.086 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 768559388 MDVAUDVDKVCUDC-GFCCVEGCSA-N 426.775 4.359 5 20 IIBD O=C(NC1(c2cccc(Br)c2)CCOCC1)c1cc(F)c([N+](=O)[O-])cc1F 770080190 YLBPSARXHMPRDO-UHFFFAOYSA-N 441.228 4.071 5 20 IIBD Cc1nn(C)c(Cl)c1Cc1noc(-c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)n1 771763798 CIAYZTJZBOGNKR-UHFFFAOYSA-N 430.896 4.167 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc2c1N(C(=O)CCNc1ccccc1[N+](=O)[O-])CC2 775297357 MZCSJENKNDVPIL-UHFFFAOYSA-N 426.473 4.333 5 20 IIBD CCCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2I)cn1 775310971 UVCKQZYYAFUQGC-UHFFFAOYSA-N 441.225 4.026 5 20 IIBD COc1ccc(C)cc1-n1ccc(C(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])n1 776136811 XZGMKIGVLULXIO-QHCPKHFHSA-N 444.447 4.439 5 20 IIBD O=C(O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1ccc(NC2CC2)c([N+](=O)[O-])c1 776217076 FCVYSXRGCBJOTQ-NRFANRHFSA-N 434.408 4.419 5 20 IIBD CN(C)c1ccc(N(Cc2ccccn2)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1 776385918 KCLMOEPXSPYOMY-UHFFFAOYSA-N 442.479 4.089 5 20 IIBD O=C(CN(Cc1ccccc1F)C[C@H](O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1F 776587826 OVNCPLZMPAFIAJ-QFIPXVFZSA-N 441.434 4.047 5 20 IIBD O=C(Nc1ccc(OC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cc1)c1cccs1 781562104 PXTBINGVSFZFQQ-GOSISDBHSA-N 437.433 4.007 5 20 IIBD CC(C)[C@H](CNC(=O)COC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccccc1 781674240 FCDJNKAXAVSTFK-INIZCTEOSA-N 449.301 4.070 5 20 IIBD Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2cccc([N+](=O)[O-])c2Br)c(C)c1 781675136 AUIZUWDPQAOILL-CYBMUJFWSA-N 435.274 4.467 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N[C@H](CCO)c1ccccc1Br 781850622 RMRVLFYSRBBLFD-CQSZACIVSA-N 428.670 4.256 5 20 IIBD O=C(COC(=O)c1cc(F)c(Cl)cc1F)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 785605511 GFCAKTVYMUSESE-UHFFFAOYSA-N 438.692 4.341 5 20 IIBD O=C(Cc1coc(-c2cccs2)n1)O[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 787026937 QNUDYOPYGQNQLV-OAHLLOKOSA-N 431.445 4.205 5 20 IIBD Cc1c(C(=O)OCc2ccc([N+](=O)[O-])cc2F)nnn1Cc1ccc(C(F)(F)F)cc1 787151305 ZNHXCYOXYCERKX-UHFFFAOYSA-N 438.337 4.058 5 20 IIBD CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)OCc1ncc(C)c([N+](=O)[O-])c1C)O[C@@H](C)C2 789437577 NIQZPPGAEMCYQL-OWQGQXMQSA-N 426.469 4.176 5 20 IIBD Cc1ccc(COc2cccc(NC(=O)C(=O)NCc3cccc([N+](=O)[O-])c3C)c2)cc1 792313945 RVMCVDBSEPVMDS-UHFFFAOYSA-N 433.464 4.046 5 20 IIBD CCc1cccc(C)c1NC(=O)CN1CCc2c(Br)ccc([N+](=O)[O-])c2C1 792901174 YFRMAJZMHWTLHS-UHFFFAOYSA-N 432.318 4.225 5 20 IIBD Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1ccc(Br)c([N+](=O)[O-])c1 797081252 XSBCQNRQRXEJMI-CRAIPNDOSA-N 430.302 4.114 5 20 IIBD CCC[C@H](C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccccn1 799536218 OLOLURBFSFSSLO-ZDUSSCGKSA-N 425.363 4.074 5 20 IIBD COc1cc(C(=O)OCc2coc(C(C)C)n2)c([N+](=O)[O-])cc1OCc1cscn1 802968015 IFCTXFVNDFDTGB-UHFFFAOYSA-N 433.442 4.107 5 20 IIBD CCCCCCn1nc(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])c2ccccc2c1=O 803408580 JVVIHDTVPGUUGU-UHFFFAOYSA-N 436.512 4.200 5 20 IIBD CC(C)(C)CC(=O)COC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 805364447 MAORXUFNZRJSAJ-UHFFFAOYSA-N 430.423 4.379 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 806367609 PFQFRVMENIJTIM-RYRKJORJSA-N 446.301 4.394 5 20 IIBD COc1cc(Br)ccc1OS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl 808319000 HNQZNUAYHZHSJO-UHFFFAOYSA-N 436.667 4.095 5 20 IIBD COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Oc1ccc(Cl)c([N+](=O)[O-])c1 808349617 BNBRNHJQNRYSAO-SNVBAGLBSA-N 436.269 4.083 5 20 IIBD COc1cc(C(=O)O[C@@H](C)c2ccc(S[C@H]3CCCCNC3=O)cc2)ccc1[N+](=O)[O-] 809046091 KBILLZAUEJRHIN-XOBRGWDASA-N 444.509 4.282 5 20 IIBD CCSCc1cccc(NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c1 810398104 GUGIRMCBMMVHNT-UHFFFAOYSA-N 438.303 4.188 5 20 IIBD COCc1nnc(-c2cccc(C(=O)OCc3cc(Cl)cc(Cl)c3[N+](=O)[O-])c2)o1 811084036 UQGMXLZQOOCBMR-UHFFFAOYSA-N 438.223 4.455 5 20 IIBD CC(C)(C)c1nnc2ccc(C(=O)OCc3csc(-c4cccc([N+](=O)[O-])c4)n3)cn12 811219986 CUCVQKNMRFXBCG-UHFFFAOYSA-N 437.481 4.416 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC2)C1 812349985 IEYUMXAUVBUQQB-MRXNPFEDSA-N 437.924 4.357 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1cc(O)nc2ccc([N+](=O)[O-])cc12 815209516 APKINKIIZWZWHE-UHFFFAOYSA-N 437.286 4.133 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@@H](O)c2ccc(Cl)cc2)cc1[N+](=O)[O-])c1ccccn1 817061904 DLECGEYEOMSSOL-LHSJRXKWSA-N 440.887 4.280 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)OC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 822347321 UVGYHLZAZJXKJS-CQSZACIVSA-N 442.859 4.235 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 822598638 OKDRNNPPMNIBIT-LSDHHAIUSA-N 445.903 4.271 5 20 IIBD CC(C)(C)OC(=O)N1CCc2nc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)sc2C1 861218159 WQEHHIGWHOQJIW-UHFFFAOYSA-N 438.893 4.250 5 20 IIBD CN(C)c1ccc(C(=O)Oc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)cn1 914714209 XIYFMCHLLRMCMX-UHFFFAOYSA-N 431.404 4.048 5 20 IIBD C[C@@H](OC(=O)c1cc(-c2ccccc2Cl)[nH]n1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 914997438 FCMBJHAMTQOLAB-SNVBAGLBSA-N 449.250 4.476 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])ccc1I)c1nc2ccccc2s1 915280713 VCGDQHMJFVRWNH-UHFFFAOYSA-N 439.234 4.086 5 20 IIBD O=C(Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1)c1ccc(CO)cc1 916606404 MSELJNXXFYGEKZ-UHFFFAOYSA-N 426.812 4.212 5 20 IIBD CCC[C@H](NC(=O)[C@@H](C)OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccc1 917219161 ASEMRLNYXCDLIN-XLIONFOSSA-N 439.512 4.398 5 20 IIBD CSc1cccc(NC(=O)COC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 917258395 ROUBYYJICSNBQQ-UHFFFAOYSA-N 444.387 4.053 5 20 IIBD C/C=C/c1ccc(OS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c(OC)c1 917849053 MLXLLBIPTSKSBB-ONEGZZNKSA-N 428.260 4.167 5 20 IIBD CCN([C@H](C)c1cccc(OC)c1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 917893407 IFJNTUCHACLSOU-GFCCVEGCSA-N 443.319 4.138 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)Nc1c(F)cccc1F 919191452 FMYAMRFKRUEXSK-UHFFFAOYSA-N 428.347 4.461 5 20 IIBD C[C@H](OC(=O)c1c(O)cccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 920733534 IPHAKPJERSOTGB-QMMMGPOBSA-N 432.738 4.157 5 20 IIBD COc1cc(CCNC(=O)/C=C/c2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])cc1OC 1321878612 QQQQKNUMOZKQHZ-ONEGZZNKSA-N 425.268 4.291 5 20 IIBD COc1ccc([C@@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c2ccccc2OC)cc1 1324365685 OMUOZTIRGXNLGA-HSZRJFAPSA-N 433.464 4.427 5 20 IIBD CCOC(=O)c1ccc2c(c1)N(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)CCS2 1326179705 DYCDVGGLEWPECN-UHFFFAOYSA-N 438.408 4.125 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(COc2cccc(C)c2)o1 1341292393 UGVAPJPCUDZPTJ-SFHVURJKSA-N 442.497 4.089 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@H]4C4CC4)CCC3)cc2)ncc1[N+](=O)[O-] 1788765443 PRLYOPUOITYQGS-RBUKOAKNSA-N 434.496 4.092 5 20 IIBD C/C=C(/C)C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c4c3OCO4)cc2)CCC1 1790096447 NXXFYGWDKRHCLH-BNNQUZSASA-N 437.452 4.037 5 20 IIBD CC(=O)C[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc(F)c3[N+](=O)[O-])cc2)CCC1 1790698764 MOQXFGOPRCTFKI-AWEZNQCLSA-N 441.459 4.097 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)Nc1ccc(C2(NC(=O)c3cnco3)CCC2)cc1 1790770529 HPUXBUIRWXOQDR-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]3C3CC3)CCC2)cc1 1790806911 FKSCLMJECFAIBC-VQTJNVASSA-N 449.507 4.403 5 20 IIBD C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3n[nH]cc3[N+](=O)[O-])CCC2)cc1)c1ccccc1 1791338289 XBUWZHLPDJAGFE-INIZCTEOSA-N 447.495 4.259 5 20 IIBD COc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccccc2C2CC2)C3)ccc1[N+](=O)[O-] 1803824009 YYYMWSYOILNPTC-REPLKXPHSA-N 449.507 4.046 5 20 IIBD CC(C)CC(=O)N1CCC2(CCCN(C(=O)Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 1805480754 XQYGOFVUNPUWKA-UHFFFAOYSA-N 435.952 4.068 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cc([C@H]2CCCCN2C(=O)CC2CCC2)[nH]n1 1823502697 GKOSLORCIISTCH-YVNCXZRQSA-N 437.500 4.214 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@H]2CCCCN2C(=O)CSC2CCCC2)CC1 1824474858 NSMWNQVDBQEMFM-GOSISDBHSA-N 449.573 4.097 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@@H]2CCCCN2C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CC1 1831474687 DCRUFEKMWDEPRI-MDNKFWRPSA-N 443.544 4.247 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccncc1 9494558 SCKUCGDNGDXUDP-LLVKDONJSA-N 432.893 4.041 5 20 IIBD CN(C(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccc([N+](=O)[O-])cc1 11437013 DUFCWOGPGGCAOK-UHFFFAOYSA-N 431.404 4.223 5 20 IIBD CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 14582812 MRRFGIVGGRTDGJ-UHFFFAOYSA-N 446.403 4.058 5 20 IIBD O=C(OCc1nnc(-c2ccc(Br)s2)o1)c1ccc(Cl)c([N+](=O)[O-])c1 18170437 WUFYEHOBTDFHSV-UHFFFAOYSA-N 444.650 4.479 5 20 IIBD Cc1cc(=O)c(C(=O)Nc2ccccc2Oc2ccccc2)nn1-c1ccccc1[N+](=O)[O-] 21890476 QDABHATYLOCXTQ-UHFFFAOYSA-N 442.431 4.494 5 20 IIBD COc1ccc2cc(CN(C)C(=O)[C@@H](C)OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)ccc2c1 22551486 PWFMWBZMNJMFAU-SDSFWRRZSA-N 448.475 4.360 5 20 IIBD CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 23742648 WICPFXAGGVWKJH-UHFFFAOYSA-N 427.464 4.302 5 20 IIBD C[C@@H](Oc1cccc(Cl)c1)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 24979902 MARJGUJKRVBCRM-SNVBAGLBSA-N 446.765 4.216 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)NCC2(c3ccccc3)CCCCC2)cc1OC 25251571 CVMWHBFIHHVHDG-UHFFFAOYSA-N 442.512 4.261 5 20 IIBD C[C@@H](Nc1cccc(N2CCCC2=O)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 28912051 WTHFOEOCSHHTNV-GFCCVEGCSA-N 436.390 4.180 5 20 IIBD Cc1nc(C(F)(F)F)ccc1C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 29061428 ODIZFAKNEGEZQH-UHFFFAOYSA-N 436.312 4.178 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCO[C@@H](c4ccc(F)cc4)C3)cc2[N+](=O)[O-])CC1 29112596 VMMUFWGGVBMSQS-JOCHJYFZSA-N 427.476 4.184 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(Cc1cccc(Br)c1)C1CC1 30336671 JDNRIPYQASTGLN-UHFFFAOYSA-N 425.304 4.019 5 20 IIBD COC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)s1 33161860 VUTNYLYPJPDPDX-UHFFFAOYSA-N 428.422 4.496 5 20 IIBD O=C(Nc1cccc2c1CCCN2C(=O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 59921852 HJXZGVWBJCJUIT-UHFFFAOYSA-N 449.438 4.344 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(N3CCSCC3)cc2C)cc1[N+](=O)[O-] 65034189 RRASDHSKQCTXBB-UHFFFAOYSA-N 447.582 4.337 5 20 IIBD COCCOc1ccccc1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 72038002 XQTHCAYEFJFNMK-GFCCVEGCSA-N 427.379 4.078 5 20 IIBD Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 107880589 ILASMSSHJXJHBY-UHFFFAOYSA-N 440.500 4.052 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cc2)C[C@@H](C)O1 109556197 IPHXVQSULATPFL-KDURUIRLSA-N 441.531 4.407 5 20 IIBD CNC(=O)c1cc([N+](=O)[O-])ccc1NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 195616678 ZXCYGHGUGUXEMA-UHFFFAOYSA-N 437.418 4.134 5 20 IIBD C[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1cccc(NC(=O)c2ccccc2)c1 301104351 MOPSQVQTUVSUQW-HNNXBMFYSA-N 439.493 4.424 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCc3ncccc3F)c([N+](=O)[O-])c2)c(C)c1 301778790 HWEPZKJMJOMAQR-UHFFFAOYSA-N 430.461 4.159 5 20 IIBD O=C(Nc1nnc(-c2cc(Br)ccc2F)s1)c1ccc([N+](=O)[O-])cc1F 410010351 IORIHDQKVGLGFP-UHFFFAOYSA-N 441.213 4.406 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C 428774008 UGNSKTXQEBRLRE-LIRRHRJNSA-N 437.418 4.323 5 20 IIBD CCCOc1cc(NC(=O)N2CC[C@@H](Oc3ccncc3)C2)c([N+](=O)[O-])cc1OCCC 432920351 UFGBYTYALZSNDX-QGZVFWFLSA-N 444.488 4.253 5 20 IIBD O=C(Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 435369966 HDQPVSRKXOVYCJ-LJQANCHMSA-N 431.452 4.237 5 20 IIBD O=C(NC[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1 437044160 WULAIKCUCASGDC-QGZVFWFLSA-N 435.402 4.038 5 20 IIBD O=C(c1cnc2c(cnn2Cc2ccccc2)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437486245 OPGPXKHIDWAZDY-UHFFFAOYSA-N 427.464 4.193 5 20 IIBD Cc1c(CNC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])sc2ccc(Cl)cc12 441144893 VEQXROFXHSBPGQ-UHFFFAOYSA-N 449.941 4.279 5 20 IIBD Cc1c(NC(=O)C(=O)N(Cc2ccccc2Br)CC(C)C)cccc1[N+](=O)[O-] 442183326 SXMOPCXQSZEBHU-UHFFFAOYSA-N 448.317 4.289 5 20 IIBD COc1ccccc1CN(CCO)C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] 442639013 QNVGWVLIFQTTNK-UHFFFAOYSA-N 438.505 4.389 5 20 IIBD O=C(CN1CCC[C@H](c2nc3ccc(F)cc3o2)C1)Nc1ccc([N+](=O)[O-])cc1Cl 443641284 LONPHPBNTHRRQQ-LBPRGKRZSA-N 432.839 4.347 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 443962769 LJCDKGRSPQDHHO-HNNXBMFYSA-N 444.919 4.172 5 20 IIBD CO[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1cccc(Cl)c1 446257346 FKQCBOYMXXKUOC-MRXNPFEDSA-N 427.682 4.057 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N1Cc2ccccc2[C@H](c2ccccc2)C1 446899289 QGRVIYCWUSEYCO-FQEVSTJZSA-N 427.464 4.328 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H](C(C)C)c2ccccc21 446913934 WKMMPVAFWADUAR-PMACEKPBSA-N 441.553 4.233 5 20 IIBD Cc1ccsc1Cn1nccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 446970186 WXLMCBLPDZCNJM-UHFFFAOYSA-N 446.432 4.029 5 20 IIBD CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 460177843 MYEYHIZKOGCULW-UHFFFAOYSA-N 437.500 4.232 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC(CCCO)CC3)n2CCc2ccccc2)c1 460459680 OIIWZMQDHVZPAB-UHFFFAOYSA-N 435.528 4.085 5 20 IIBD CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 460872940 JSDOANWNINDYEN-FQEVSTJZSA-N 446.345 4.195 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2cc([C@@H]3C[C@H]4CC[C@H]3C4)[nH]n2)cc1[N+](=O)[O-])c1ccccn1 461472935 YEPAFDZFECJOOP-NBOOPKSLSA-N 446.511 5.042 5 20 IIBD O=C(Nc1ccccc1)N1CCC[C@H](C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)C1 461705863 SNRBREIMIRDMFZ-UWJYYQICSA-N 440.525 4.113 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N(Cc1ccoc1)C1CCCCC1 462308282 JMYRPUCLJNURIO-UHFFFAOYSA-N 443.319 4.474 5 20 IIBD O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 463274687 RXKDRUDALVKBFN-UHFFFAOYSA-N 425.382 4.147 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c2ncccc12 463670227 PXBCDEYAAZAWPN-MRXNPFEDSA-N 440.506 4.279 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1(c2noc([C@@H]3CCOC3)n2)CCCCCC1 463949780 KAMIQVUZRYZCPJ-MRXNPFEDSA-N 443.504 4.470 5 20 IIBD C[C@@H](CC[S@](C)=O)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 469328882 JFSCYVULULDOPO-JWNZJDHWSA-N 426.947 4.286 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@H](c2ccc(Br)cc2)[C@@H]1C 471055788 GWCHQCUKMOBWPW-DJJJIMSYSA-N 449.301 4.358 5 20 IIBD CCc1ccc(C(=O)NCc2ccc(Oc3c(OC)cccc3OC)nc2)cc1[N+](=O)[O-] 471356323 GGGNQTFETIFXOL-UHFFFAOYSA-N 437.452 4.292 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)OC(C)C 471575593 VKIQALPWEBYHPG-HSZRJFAPSA-N 441.528 4.102 5 20 IIBD Cc1cc(NC(=O)NC2(c3noc([C@@H]4CCOC4)n3)CCCCCC2)ccc1[N+](=O)[O-] 473770827 NDHQAYVAXNLTDQ-OAHLLOKOSA-N 429.477 4.161 5 20 IIBD COc1c(C(=O)NCc2ccccc2-c2ccc(Cn3cccn3)cc2)cccc1[N+](=O)[O-] 475524360 UVVHMLDURNVYOU-UHFFFAOYSA-N 442.475 4.445 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] 478549509 TYDHLUCHWOJRHR-KOMQPUFPSA-N 443.916 4.204 5 20 IIBD CC[C@H](CNC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])Oc1ccccc1Cl 482595946 GYLCPDHJDLJIGI-LLVKDONJSA-N 444.818 4.446 5 20 IIBD COc1cc(C(=O)Nc2c(C)c(C)nn2-c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC 485842152 BFVSMDRKNOKKAC-UHFFFAOYSA-N 430.848 4.320 5 20 IIBD CSc1cccc(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)c1[N+](=O)[O-] 488101689 IIKHAYBEONNJSE-ZDUSSCGKSA-N 436.331 4.088 5 20 IIBD Cc1ccc([C@H](C)NC(=O)NCc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] 489343427 STDSXNKPHGQFFY-QRVBRYPASA-N 440.544 4.073 5 20 IIBD COc1ccc([C@@H](CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)N2CCCC2)cc1 489991289 FZBUXXIHRMLSKT-HTAPYJJXSA-N 426.517 4.109 5 20 IIBD O=C(CSc1nnc(-c2ccc(F)cc2)o1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 490404383 YVVJYGFABQJUFD-UHFFFAOYSA-N 428.445 4.067 5 20 IIBD Cc1ccccc1-c1nc(CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)no1 493415669 ZDNHBWGQEILKIO-UHFFFAOYSA-N 435.484 4.120 5 20 IIBD CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1c(N)cccc1[N+](=O)[O-] 499720139 HGJVKZDRDKTDNH-UHFFFAOYSA-N 427.464 4.302 5 20 IIBD COc1cc(CCNC(=O)NC2CCC(c3ccccc3)CC2)c([N+](=O)[O-])cc1OC 500226485 QAJTVXDTEWJUKM-UHFFFAOYSA-N 427.501 4.180 5 20 IIBD COc1ccc(CSCC(=O)Nc2nc3c(F)c(F)ccc3s2)cc1[N+](=O)[O-] 500622921 FRTPXILHNWWULR-UHFFFAOYSA-N 425.438 4.363 5 20 IIBD O=C(N[C@H](c1ccc(Cl)cc1)c1cccs1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 500788624 TXQAKTSKUNUXSZ-LJQANCHMSA-N 439.884 4.410 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 502138116 CLDLTLNAUWVUHN-LBPRGKRZSA-N 436.399 4.149 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN[C@@]3(Cc4ccc(Cl)cc4)CCOC3)o2)c1 502553366 RUTOTGNMOZOBSL-JOCHJYFZSA-N 427.888 4.437 5 20 IIBD CCC1(C)CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)CC1 504860219 XXWILIGFCSWMOE-UHFFFAOYSA-N 445.541 4.356 5 20 IIBD CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 505436231 GOPVQSDJOCURHX-UHFFFAOYSA-N 449.294 4.161 5 20 IIBD COc1ccc([C@@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c2ccccc2OC)cc1 506701061 NEECZYMRPBPFPA-XMMPIXPASA-N 447.491 4.469 5 20 IIBD CCOc1ccc(C2(CNC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)CCOCC2)cc1 508781236 XQALAQYVQZHZFP-UHFFFAOYSA-N 439.512 4.046 5 20 IIBD C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1I 508793925 IGRVVEDRIGTFLA-JTQLQIEISA-N 428.201 4.172 5 20 IIBD C[C@H](SCc1ccc([N+](=O)[O-])cc1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 513817080 AHBBWSYSADLVQN-NSHDSACASA-N 439.415 4.221 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c(C)cc1Br 516499331 HZDROTNEIJLWIF-UHFFFAOYSA-N 444.241 4.253 5 20 IIBD C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 518361449 AWBARTBODKSNSO-JLTOFOAXSA-N 426.860 4.036 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)Cc1csc(Br)c1 520408823 SKIZRXQTXCMVOI-VIFPVBQESA-N 433.711 4.498 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1OC1CCOCC1 522004272 NDSDUERZMIDWIG-GFCCVEGCSA-N 438.839 4.351 5 20 IIBD COc1ccc(Cl)cc1N1CC[C@H](Nc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])C1 522614048 MFVFKKNUQWGQFB-INIZCTEOSA-N 432.908 4.086 5 20 IIBD Cc1cccc(COc2cccc(C(=O)N3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)c2)c1 522859496 GEHXODCOPLHHBK-HXUWFJFHSA-N 432.480 4.204 5 20 IIBD O=C(c1cn(-c2ccc(C(F)(F)F)cn2)nn1)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 522873134 JSSYLNPJRUMIRZ-UHFFFAOYSA-N 446.389 4.179 5 20 IIBD Cc1nn(CCC(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)c(C)c1[N+](=O)[O-] 523273387 GINIPKGBRLUKPR-SFHVURJKSA-N 435.322 4.218 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCCCOCC3CCOCC3)c([N+](=O)[O-])c2)cc1 525359423 UYTCLJXNOCBPAB-UHFFFAOYSA-N 427.501 4.401 5 20 IIBD COc1ccc(S(=O)(=O)N(C)[C@@H](c2ccncc2)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 531380133 KFCGABUYIUQUJM-HXUWFJFHSA-N 447.900 4.062 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC[C@@H]1c1ccc(Br)cc1 531445033 XCQMAHRIWSQWBQ-CQSZACIVSA-N 429.267 4.022 5 20 IIBD O=C(NCC(C1CC1)C1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 532536437 YXTCMZSAJQVCMU-UHFFFAOYSA-N 431.539 4.298 5 20 IIBD NC(=O)c1ccccc1Oc1ccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 535406939 RKIZJISQGUWJHG-UHFFFAOYSA-N 430.420 4.149 5 20 IIBD Cc1nnc(SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)n1[C@@H]1CCC[C@H](C)C1 536088993 KRIRKFKZEQDBNG-DZGCQCFKSA-N 431.518 4.336 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C)c2ccc(Cl)cc21 536468645 QLWRPENRYLIXAJ-UHFFFAOYSA-N 449.916 4.000 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 538235977 AYNLOTABLZLZFM-SJLPKXTDSA-N 439.693 4.200 5 20 IIBD NC(=O)c1cccc(Oc2ccc(NCc3cc([N+](=O)[O-])ccc3OC(F)F)cn2)c1 538592905 WWTJNBJTYHTNSA-UHFFFAOYSA-N 430.367 4.095 5 20 IIBD COc1ccccc1COC1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 539903800 LXFBZZDNHLNDEX-UHFFFAOYSA-N 438.402 4.444 5 20 IIBD C[C@@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 540344953 HOKBABWTHGYXRB-OAHLLOKOSA-N 430.464 4.496 5 20 IIBD Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 540873403 GEJWMAOKSXEBJI-UHFFFAOYSA-N 444.463 4.267 5 20 IIBD COc1ccc(Cc2noc(-c3ccn(-c4cccc([N+](=O)[O-])c4)n3)n2)cc1OC(F)F 544390666 CTDCMFLMMHLVAZ-UHFFFAOYSA-N 443.366 4.031 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)[C@H](C)c1ccccc1C(F)(F)F 544461762 JZHQEAOOCUBPRB-STQMWFEESA-N 425.407 4.343 5 20 IIBD CN(Cc1nc(Cc2c[nH]c3ccc(Br)cc23)no1)c1ccccc1[N+](=O)[O-] 544768272 MKHMLNGRRMVNGC-UHFFFAOYSA-N 442.273 4.449 5 20 IIBD Cn1cc(C(C)(C)N[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cn1 545293569 YLCIDXOBWAZYOC-IBGZPJMESA-N 427.892 4.186 5 20 IIBD CCOC(=O)c1cc(-c2nc(Cc3nc4ccccc4n3C(F)F)no2)cc([N+](=O)[O-])c1 545621933 NPXWKMQKOFYTKG-UHFFFAOYSA-N 443.366 4.157 5 20 IIBD C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 548947528 GFILINJCDXYDKR-QZTJIDSGSA-N 438.528 4.419 5 20 IIBD Cn1ccnc1[C@H](N[C@H]1CCN(c2ccccc2C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 552066224 ABIODMBPPQWSFE-OXJNMPFZSA-N 445.445 4.305 5 20 IIBD Cc1c(NC(=O)[C@@H](C)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)cccc1[N+](=O)[O-] 553026123 BZSBVYSEMHLJOL-MRXNPFEDSA-N 439.491 4.324 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 553039280 KWGBWALMBFLVHU-SBHAEUEKSA-N 435.505 4.363 5 20 IIBD CC(=O)Nc1ccc(OC[C@H](O)COc2ccc([N+](=O)[O-])cc2-c2cccs2)cc1 555566875 WSMYKDOYUXIEBG-KRWDZBQOSA-N 428.466 4.100 5 20 IIBD C[C@H]1Cc2ccc(Br)cc2CN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C 564340378 DRAIKMYJDMRRER-LBPRGKRZSA-N 428.290 4.104 5 20 IIBD C[C@@]1(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])OCCc2sccc21 568572556 OEITXNAFXMZBSO-QHCPKHFHSA-N 438.505 4.453 5 20 IIBD Cc1ccc(C2(CNC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)CCCC2)c(C)c1 571197422 VWVUECSGGHTTAY-IBGZPJMESA-N 439.512 4.037 5 20 IIBD C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1ccc2nccnc2c1Br 578919757 OJZQJXRLRSBNDN-LLVKDONJSA-N 430.262 4.130 5 20 IIBD CCOCCOCc1cccc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c1 579961237 DHJYTMNCZVZCBQ-UHFFFAOYSA-N 437.290 4.471 5 20 IIBD O=C(Nc1ccc(NCc2cc(I)cc([N+](=O)[O-])c2)cc1)C1CC1 582210492 SIPCEYRFVWXPQR-UHFFFAOYSA-N 437.237 4.160 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(C[C@H](C)c2ccccc2)o1 594638940 NBRGSRNHXDQLPV-UONOGXRCSA-N 442.497 4.452 5 20 IIBD Cc1ccc(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)cc1[N+](=O)[O-] 603476606 OXNZVNXKIOJGPZ-UHFFFAOYSA-N 433.464 4.231 5 20 IIBD NC(=O)c1ccc(SCC(=O)N(Cc2ccc(F)cc2F)C2CCCC2)c([N+](=O)[O-])c1 603530950 QBUVTXIIRFOQEN-UHFFFAOYSA-N 449.479 4.035 5 20 IIBD Cc1cc(C)n(-c2ccc(CC(=O)Nc3cc(C)nn3-c3ccc([N+](=O)[O-])cc3)cc2)n1 603734726 KCQYPDURSLJXDU-UHFFFAOYSA-N 430.468 4.073 5 20 IIBD Cc1ccc(CNC(=O)c2cccc(CNC(=O)CSc3ccc([N+](=O)[O-])cc3)c2)cc1 603761989 VYZKDLQTBNUEBC-UHFFFAOYSA-N 449.532 4.242 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(CC(=O)N(C)c2ccccc2)cc1 604010398 CZIMXNPWTZDVOY-UHFFFAOYSA-N 432.480 4.159 5 20 IIBD CCC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCc2sccc2C1 608912479 SZYUAQHHDNGOOF-INIZCTEOSA-N 436.921 4.185 5 20 IIBD Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 608945916 IXNWAZGNKNEFDK-OAHLLOKOSA-N 445.566 4.212 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc([C@H](C)N2CCOCC2)c1 609182636 BWVPNIFIHYWXFR-GJZGRUSLSA-N 433.892 4.047 5 20 IIBD C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCc2[nH]c3ccc(Br)cc3c2C1 609197372 QXWQNMINXWTIIM-LBPRGKRZSA-N 443.301 4.224 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)Nc1cc(F)c(F)cc1F)c1ccccc1[N+](=O)[O-] 609209417 SNKORMBIGRFRHQ-OAHLLOKOSA-N 425.363 4.217 5 20 IIBD COc1cc(CCNC(=O)N2CCCC[C@H]2c2ccccc2OC)c([N+](=O)[O-])cc1OC 609281946 CXFLVXSWYLVABF-SFHVURJKSA-N 443.500 4.100 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OC)c(NC(=O)C3CCCCC3)c2)c1 609697681 KKPVTRPSBJEQMA-UHFFFAOYSA-N 427.457 4.383 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCC(=O)Nc1cc(Cl)ccc1Cl 609723414 QKFJFYYDWJHBSS-UHFFFAOYSA-N 446.674 4.079 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSc1nc(C2CC2)nn1-c1ccccc1 609750237 FXVIGIBZZIVWDU-UHFFFAOYSA-N 437.481 4.143 5 20 IIBD Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)SCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 609770249 HXTNALIDRJPHEE-HZPDHXFCSA-N 443.525 4.200 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 609783056 RQZCWMBKLGSOKZ-UHFFFAOYSA-N 442.928 4.444 5 20 IIBD C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 609855393 NEGPJTKGQSMKDM-CEQIKUNHSA-N 443.525 4.189 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CCCCC[C@@H]2c2ccco2)c1 609917771 QTJYOXINTFSYSS-OAHLLOKOSA-N 429.292 4.256 5 20 IIBD COc1cc(C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)cc([N+](=O)[O-])c1OC 610176104 VZSGESYWBCXIEJ-UHFFFAOYSA-N 436.346 4.069 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@H](C)c3ccco3)cc2)cc1[N+](=O)[O-] 610195005 GGGGGLJPXIZYOE-CQSZACIVSA-N 429.454 4.039 5 20 IIBD O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 611209380 YTFZUHHLCKQODT-MRXNPFEDSA-N 430.455 4.074 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC(OCc2ccccc2F)CC1 611261984 DKNPKEAATDTZPV-UHFFFAOYSA-N 437.265 4.318 5 20 IIBD C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 612444744 FFHJSMBGAFIODG-CABCVRRESA-N 442.516 4.353 5 20 IIBD COC(=O)c1cc(NC(=O)c2cccc(SC)c2[N+](=O)[O-])c(Br)cc1F 614414932 NBNYHUANVNNOHG-UHFFFAOYSA-N 443.250 4.257 5 20 IIBD Cc1ccc(-c2nc(CCNC(=O)Cn3c4ccccc4c(=O)c4ccccc43)co2)cc1 624570010 XRUTVNDVZFDZHB-UHFFFAOYSA-N 437.499 4.477 5 20 IIBD COc1cc(C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)ccc1[N+](=O)[O-] 725949109 XDFKICCHAOEYOK-UHFFFAOYSA-N 433.631 4.359 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)ccc1[N+](=O)[O-] 726528401 UDUOMNGARGUICN-OAQYLSRUSA-N 447.495 4.153 5 20 IIBD CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 729558315 IGHHTCPYUXCASP-ZDUSSCGKSA-N 444.435 4.059 5 20 IIBD COc1c(Cl)cccc1NC(=O)c1ccc(I)c([N+](=O)[O-])c1 730485410 ZSJWYJDNDWDILZ-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD Cc1ccc(Cl)c(O[C@H](C)C(=O)OC[C@@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])c1 730710180 XLBKXHWQBRLAOP-CVEARBPZSA-N 446.887 4.172 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)c([N+](=O)[O-])c1 731276525 MTKVIRJDULMZEM-KPOBHBOGSA-N 434.448 4.431 5 20 IIBD O=C1[C@H](Nc2ccc(OCc3ccccn3)c(Cl)c2)CCN1c1cccc([N+](=O)[O-])c1 731496287 IJDMOYHAJODJRC-HXUWFJFHSA-N 438.871 4.440 5 20 IIBD O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1SCc1ccco1 731510383 NKUIMDVPPQDFTL-LJQANCHMSA-N 438.461 4.442 5 20 IIBD C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C[C@@H](C)N1C(=O)OC(C)(C)C 733117503 NILIEIPIRNOTBW-IAGOWNOFSA-N 446.548 4.055 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)Cc1ccc(Cl)cc1Br 733601436 GPKRWIUUSPWVMU-UHFFFAOYSA-N 441.665 4.044 5 20 IIBD CC[C@H](Cc1cccc(Br)c1)C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] 735358198 RXTYDDZOAQWTLN-CQSZACIVSA-N 435.274 4.108 5 20 IIBD CCn1c(SCC(=O)OCc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1cccs1 735904749 RFZUJLPEDHYJNG-UHFFFAOYSA-N 438.918 4.424 5 20 IIBD COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 736011384 GAENBBIUDYCMFN-KRWDZBQOSA-N 435.864 4.461 5 20 IIBD CC(C)[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)NC1CCCCCC1 740409140 AJFSBTIRVYVJEL-QGZVFWFLSA-N 441.322 4.378 5 20 IIBD CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1cc([N+](=O)[O-])ccc1Br 741977902 MDTXECZVDKEVNY-UHFFFAOYSA-N 434.290 4.075 5 20 IIBD O=[N+]([O-])c1cn(CNC2(c3ccc(Br)cc3)CCC2)nc1-c1ccncc1 742146577 GUGDVPKHKUWCQK-UHFFFAOYSA-N 428.290 4.242 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Oc1ccccc1Br 742270450 VGBSJMXVJFENSF-UHFFFAOYSA-N 427.059 4.432 5 20 IIBD C[C@@H](OC(=O)CCCOc1ccc(F)cc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 742975102 UFGIGPRFHBRXBS-LLVKDONJSA-N 442.802 4.256 5 20 IIBD CCOc1cc(N2CCC(OC(=O)CCc3ccc(OC)cc3)CC2)ccc1[N+](=O)[O-] 744203316 GZTDICWPCWEIGH-UHFFFAOYSA-N 428.485 4.147 5 20 IIBD COc1cc(C(=O)O[C@@H](C)c2nnc(-c3cccs3)o2)c([N+](=O)[O-])cc1OC(F)F 744534712 RYUNFLFVHLKVAO-QMMMGPOBSA-N 441.368 4.234 5 20 IIBD CC(C)CC(=O)Nc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1F 745288949 IECSRKJUKFHTCQ-GFCCVEGCSA-N 449.410 4.042 5 20 IIBD Cc1ccc(NCCCNC(=O)c2ccccc2CSC2=NCCS2)c([N+](=O)[O-])c1 747402470 NUDLNFIVTWKWOV-UHFFFAOYSA-N 444.582 4.471 5 20 IIBD CC(C)[C@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N1CCC[C@@H](C)C1 747961720 JJZYIYBCOFWNOB-KDOFPFPSSA-N 431.514 4.158 5 20 IIBD COc1ccc(NC(C)=O)cc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 749568093 BRRUPFFABBSPJN-UHFFFAOYSA-N 442.653 4.230 5 20 IIBD Cc1ccc(-c2csc3ncn(Cc4nnc(-c5ccccc5[N+](=O)[O-])o4)c(=O)c23)cc1 753851696 ZNKLPXVFQQKMJI-UHFFFAOYSA-N 445.460 4.440 5 20 IIBD COc1cc(Br)c(C=O)cc1Oc1ncc([N+](=O)[O-])c(C)c1Br 754000093 URFMFMAIBYIPHW-UHFFFAOYSA-N 446.051 4.437 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 754822928 HMXGQQCNGXFWLG-UHFFFAOYSA-N 439.921 4.194 5 20 IIBD C[C@H](OC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)N[C@@H](C)c1cc2ccccc2o1 755068296 UPABNDYSJICSBI-IHRRRGAJSA-N 428.416 4.393 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2noc(C(F)(F)F)n2)cc1 756993369 RZJAJBCVGQZNND-UHFFFAOYSA-N 426.738 4.247 5 20 IIBD O=C(OCCn1cc([N+](=O)[O-])ccc1=O)C1(Cc2nc3ccccc3s2)CCCCC1 761371625 LFLBTAXQBLNONW-UHFFFAOYSA-N 441.509 4.103 5 20 IIBD O=C(OC(c1ccccc1F)c1ccccc1F)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 761378313 XOUGOYMWIANBRW-UHFFFAOYSA-N 436.374 4.400 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cnn(-c2ccccc2)c1C(F)(F)F 762469714 ZQZGWAKEAXYRLX-UHFFFAOYSA-N 449.345 4.279 5 20 IIBD O=C(O[C@H](C(=O)NCc1ccccc1)c1ccccc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 762717564 NJGKOZQZNIEMQL-QFIPXVFZSA-N 429.432 4.291 5 20 IIBD O=C(COC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)Nc1ccccc1Cc1ccccc1 762900421 TVDSPQIIXMWACO-UHFFFAOYSA-N 429.432 4.462 5 20 IIBD C[C@@H](C(=O)OCC(=O)Nc1ccc(OC(F)F)c(Cl)c1)c1cccc([N+](=O)[O-])c1 763426353 RLMKVVWBNHONPH-SNVBAGLBSA-N 428.775 4.135 5 20 IIBD O=C(Nc1ccc(N2CCOC2=O)cc1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 763968491 CZOJAXGZWQKILD-UHFFFAOYSA-N 432.436 4.416 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(O)(c2ccccc2Cl)CC1 765616482 DOVABYGXNVFZAM-ZDUSSCGKSA-N 439.295 4.179 5 20 IIBD O=C(COC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 767474581 VCGMQJQCJPBNFK-TYGXQLQZSA-N 444.381 4.404 5 20 IIBD C[C@@H](OC(=O)[C@@H](F)c1ccccc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 769159234 BOMDZKIOJDOHJG-PXAZEXFGSA-N 429.429 4.299 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)OCc1nnc(-c2ccc(Br)o2)o1 769883125 UTADOVQDPXHNME-UHFFFAOYSA-N 436.218 4.283 5 20 IIBD C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)CCC1CCN(c2ccncc2)CC1 771460307 BITNKTFLDBGSCI-INIZCTEOSA-N 445.951 4.209 5 20 IIBD C[C@@H]1C[C@@H](C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCO1 776413454 RMTTWOKMENZIGR-WTANOLMUSA-N 432.860 4.286 5 20 IIBD COC(=O)c1cccc(-c2nc(COC(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)cs2)c1 778165354 HHBOZZVWVSHOIU-UHFFFAOYSA-N 448.403 4.340 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1cc(F)c(N2CCCCC2)c(F)c1 779130541 XSFXITVUQFNZLT-UHFFFAOYSA-N 442.422 4.429 5 20 IIBD CC[C@H]1C[C@H](OC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCO1 779288769 KFKWJDDAMFIUHP-JKSUJKDBSA-N 430.423 4.331 5 20 IIBD O=C(COC(=O)c1csc(Cc2cccc(F)c2)n1)Nc1cc([N+](=O)[O-])ccc1Cl 780182671 CBTGIZKFLHZLTJ-UHFFFAOYSA-N 449.847 4.230 5 20 IIBD COC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)OC(=O)c1c(Cl)cccc1[N+](=O)[O-] 783151164 ZHMGCHANDRJXLV-CQSZACIVSA-N 431.750 4.208 5 20 IIBD COc1cc(C)c([C@H](C)NC(=O)COC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)cc1OC 784259948 XACWIMCGKAUNPM-HNNXBMFYSA-N 444.484 4.078 5 20 IIBD Cn1c(C(=O)Nc2cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)ccc1[N+](=O)[O-] 785432814 CCEOWAXHKWXHMB-UHFFFAOYSA-N 442.394 4.229 5 20 IIBD Cc1cnc(COC(=O)c2c(C)c3cc(Br)ccc3oc2=O)c(C)c1[N+](=O)[O-] 789442886 MFZLYYXDRHBFMW-UHFFFAOYSA-N 447.241 4.141 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)ccc1N1CCOCC1 790935954 PHEFMCMYBYSACU-UHFFFAOYSA-N 434.290 4.063 5 20 IIBD COc1ccc([C@@H]2CCCN2S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cc1 791418035 RRZUPTCEBQTQDS-HNNXBMFYSA-N 431.297 4.436 5 20 IIBD Cc1cccc(NC(=O)[C@@H](C)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c1C 792892335 NPKNFQGTHDNYCA-CQSZACIVSA-N 432.318 4.359 5 20 IIBD O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1CN(Cc1ccc(F)cc1)C1CC1 795407266 WFHKYZFRJHAIAY-UHFFFAOYSA-N 434.265 4.074 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 802075678 GWTUOSDWTDYCNC-UHFFFAOYSA-N 427.892 4.015 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](O)c1cccc(Br)c1 802317933 IGXDWUSAZFXEFY-MRXNPFEDSA-N 439.331 4.321 5 20 IIBD C[C@@H](OC(=O)c1cc(O)ccc1C(F)(F)F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 803527217 IVHOCPVJBCRQIJ-MRVPVSSYSA-N 432.738 4.157 5 20 IIBD Cc1ccc([C@H](O)[C@@H](C)NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 804473410 OGRBDEAJKYGJSL-SEPYTNNBSA-N 434.496 4.323 5 20 IIBD CCOc1cc(N2CCC(OC(=O)CCc3ncc(C(C)(C)C)o3)CC2)ccc1[N+](=O)[O-] 805886833 KNWXIUANGOEQNQ-UHFFFAOYSA-N 445.516 4.424 5 20 IIBD COc1ccccc1[C@@H](NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ccco1 809827247 HYAQYRVXRTXUTL-GOSISDBHSA-N 440.836 4.057 5 20 IIBD COc1ccc([C@@H](O)C2CCN(Cc3ccc(Br)c([N+](=O)[O-])c3)CC2)cc1 812774360 LOKQCLTYESLVAO-HXUWFJFHSA-N 435.318 4.312 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC12CCC2 816850887 HHFKVXKOORRGBI-OAHLLOKOSA-N 439.459 4.125 5 20 IIBD Cc1n[nH]c(C)c1CCC(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 914847104 PYDHCBSWHRGQHE-UHFFFAOYSA-N 442.859 4.379 5 20 IIBD CCN(CC)c1nc2sc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2s1 917406005 WJKPNFSQWZFMBS-UHFFFAOYSA-N 445.570 4.075 5 20 IIBD CC[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 917857418 YXYOQWMTHUSFSR-ZDUSSCGKSA-N 427.320 4.347 5 20 IIBD O=C(CCc1cccc(Br)c1)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 919034373 JOMJRDYKEKCXDM-UHFFFAOYSA-N 432.230 4.083 5 20 IIBD CNc1nc(C)ccc1C(=O)O[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 919140658 MUSBFTBTNULQDT-HXUWFJFHSA-N 434.452 4.185 5 20 IIBD COc1cc(C(=O)Oc2cccc([N+](=O)[O-])c2C)c([N+](=O)[O-])cc1OCc1cscn1 920003759 NKULEJQLVAEWOJ-UHFFFAOYSA-N 445.409 4.075 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1CNC(=O)OC(C)(C)C 1251452190 ZUDKJGGPTOPQKG-OAHLLOKOSA-N 445.541 4.417 5 20 IIBD C[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 1319560990 XREGZNSWOGYYME-KKSFZXQISA-N 439.512 4.382 5 20 IIBD O=C(Nc1cc2ccccc2nc1Br)N1CCc2ccc([N+](=O)[O-])cc2C1 1320759499 FSRMKGZIUZJFSR-UHFFFAOYSA-N 427.258 4.496 5 20 IIBD CC(=O)Nc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Nc2ccccc2)cc1F 1321023145 VFXLSRRWBUVFIT-UHFFFAOYSA-N 444.444 4.237 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(-c2cccc3ncccc23)o1 1322904206 PEKJPZAFBGNNKQ-IBGZPJMESA-N 449.492 4.417 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H]1c1nnc(-c2cccc(OC(F)F)c2)o1 1341639423 ABXCPXOWAFYGPC-GFCCVEGCSA-N 436.396 4.285 5 20 IIBD C[C@H]1Cc2cnccc2N1C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 1347749860 IHEBXFPHZUQCJA-ZDUSSCGKSA-N 434.418 4.203 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(-c2ccco2)n1C[C@H]1CCCCO1 1525907950 QRHFCLXMQAHAAI-LJQANCHMSA-N 425.489 4.430 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@H]3CCCCO3)cc2)CCC1)c1ccc([N+](=O)[O-])cc1F 1785889979 JRNRVMMFINLIGG-HXUWFJFHSA-N 441.459 4.051 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C)c([N+](=O)[O-])cn4)CCC3)cc2)cn1 1787299613 RTJIAZRIINUOQX-UHFFFAOYSA-N 445.479 4.063 5 20 IIBD CO[C@H](C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1)c1ccccc1 1787850549 JKGUGZUBRYTCLO-NRFANRHFSA-N 449.463 4.323 5 20 IIBD CC(C)n1nccc1C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1 1789795128 IXZUKPJWBGVXIJ-UHFFFAOYSA-N 437.456 4.027 5 20 IIBD COc1cc(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)C)CCC3)cc2)c([N+](=O)[O-])cc1O 1790082901 KEDZFXQUHCVSJI-UHFFFAOYSA-N 441.484 4.103 5 20 IIBD C[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1)c1ccc(O)cc1 1790505816 FOJPPCFGUZPJQO-OAHLLOKOSA-N 448.479 4.180 5 20 IIBD CC[C@@H](C)[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C2)c1ccccc1 1795566418 AMXQXRCEAKMLEF-LNBCOLIQSA-N 439.512 4.270 5 20 IIBD CCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2cccc([N+](=O)[O-])c2)CCC1 1800041962 ZARHITDNJUDQMK-REPLKXPHSA-N 427.545 4.091 5 20 IIBD CCCCC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc([N+](=O)[O-])cc1F 1801527125 GDZMUJYBGORYDG-OQIJWPOYSA-N 433.524 4.131 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCCC2(CCN(C(=O)c3cc4ccoc4s3)CC2)C1 1804649771 IYKJCKAECBGNJU-UHFFFAOYSA-N 443.481 4.154 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)[nH]n1)c1ccsc1 1816358790 ZLHWJYFOKAXVLE-QGZVFWFLSA-N 443.460 4.138 5 20 IIBD O=C(CC1CCCC1)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1824274307 DXDXYTCLLZRRJJ-DJGBTNNQSA-N 443.544 4.401 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(C)CC2)CC1 1826241892 ALNKIGWKWAWZNJ-LJQANCHMSA-N 431.508 4.076 5 20 IIBD Cc1cc(Cl)ccc1C(=O)N1CC2(CCCN2C(=O)c2c(F)ccc([N+](=O)[O-])c2C)C1 1845492271 IUYOAQIJHPVNTD-UHFFFAOYSA-N 445.878 4.135 5 20 IIBD Cc1c(F)cccc1C(=O)N1CC2(CCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)C1 1845498555 URBRPTLRHJJESU-UHFFFAOYSA-N 445.878 4.135 5 20 IIBD COc1ccc2cc(C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c(C)nc2c1 10725751 PFQLRWMPDWVTCD-LBPRGKRZSA-N 443.843 4.297 5 20 IIBD CCOc1cc(NC(=O)COc2ccc(Br)cc2)c([N+](=O)[O-])cc1OCC 10962286 UVBQLJIDKVTMDX-UHFFFAOYSA-N 439.262 4.172 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)CCSc2ccccc2Cl)c([N+](=O)[O-])c1 15809635 RVHZDXQYAXMDSZ-GFCCVEGCSA-N 438.889 4.309 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)cc1[N+](=O)[O-] 16004732 PZSWBMHENFKOKO-UHFFFAOYSA-N 446.901 4.390 5 20 IIBD Cc1noc(C)c1C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 21637086 NVKYIBZIUXNEML-GOSISDBHSA-N 429.816 4.390 5 20 IIBD C[C@@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1Br 21740499 NRUUCJRDKRFHBC-LLVKDONJSA-N 439.287 4.020 5 20 IIBD C[C@@H](OC(=O)CSCc1ccc(F)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 22670281 GSRFUONKESMMMS-LLVKDONJSA-N 426.853 4.191 5 20 IIBD COCCN(Cc1ccco1)C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 25094297 ODLVKOLGYHOSNO-UHFFFAOYSA-N 433.511 4.393 5 20 IIBD COc1ccc(NC(=O)CNc2ccccc2C(=O)N[C@H](C)c2ccccc2)c([N+](=O)[O-])c1 25715761 JYMOKTMUEWOLOX-MRXNPFEDSA-N 448.479 4.145 5 20 IIBD CN(CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1)Cc1ccccc1[N+](=O)[O-] 26349112 NDSQCIXWRHGGSF-UHFFFAOYSA-N 446.223 4.447 5 20 IIBD CN(Cc1cc(Br)cs1)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 37991856 NDAZZNFDKFQDOG-UHFFFAOYSA-N 434.109 4.454 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] 60447119 IFPMGFKPZNAVTG-UHFFFAOYSA-N 433.848 4.056 5 20 IIBD CN(C)CCN(Cc1ccccc1F)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 65118793 IEBDCRKMBNVAQK-UHFFFAOYSA-N 428.489 4.061 5 20 IIBD CC[C@@H](C(=O)N1CCC(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1)c1ccccc1 72056848 HVCNFSXQOSMCAV-GOSISDBHSA-N 429.904 4.163 5 20 IIBD CCN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 72100677 OTHOFFDCSYMOPW-LJQANCHMSA-N 439.512 4.133 5 20 IIBD COc1ccc(N(C)C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1OC 109136166 NNYWJAKYSAMYSU-OAHLLOKOSA-N 436.468 4.457 5 20 IIBD COc1cc(C(=O)Nc2cccc(-c3nc4ccccc4n3C)c2)c([N+](=O)[O-])cc1OC 115799046 FIVDWADXMWZSTE-UHFFFAOYSA-N 432.436 4.418 5 20 IIBD NC(=O)c1cccc(CCNCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c1 237755183 MDLXTKBGRIJBDN-UHFFFAOYSA-N 425.872 4.472 5 20 IIBD O=[N+]([O-])c1cc(Br)cnc1N1CCO[C@@H](c2ccccc2Br)C1 301630961 BNMDXFPUJKSPIY-CQSZACIVSA-N 443.095 4.093 5 20 IIBD Cc1cc(=O)c(C(=O)N(C)c2cc(Cl)cc(Cl)c2)nn1-c1ccccc1[N+](=O)[O-] 303653324 XMBBYLPCWOTBOT-UHFFFAOYSA-N 433.251 4.033 5 20 IIBD C[C@H](NC(=O)N(CCn1ccnc1)Cc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 430420308 AQVBZPLUJHKGSP-INIZCTEOSA-N 427.892 4.418 5 20 IIBD CCN([C@H](c1cccnc1)c1ccc(F)c(C)c1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 431914156 ZSPBSVUJFGMLCH-QFIPXVFZSA-N 443.500 4.379 5 20 IIBD CCN(CC)C(=O)COc1ccc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc1Cl 431944346 BXFMTJZODMZWHH-UHFFFAOYSA-N 447.919 4.412 5 20 IIBD Cc1cc(C)c(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c(Br)c1 431990682 GVDXNBUSKXAYCL-UHFFFAOYSA-N 433.306 4.328 5 20 IIBD O=C(NCCC1CC(O)C1)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 432430802 AOZAYWKFLACVRU-UHFFFAOYSA-N 429.523 4.247 5 20 IIBD O=C(NCc1nccn1CCc1ccccc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 434365725 YTZNTEACDIMICC-UHFFFAOYSA-N 433.493 4.088 5 20 IIBD Cc1nn(CCC(=O)N2CCc3ccccc3[C@@H](c3ccccc3)[C@H]2C)c(C)c1[N+](=O)[O-] 435363698 VAQJCCMDNKXRHA-HOYKHHGWSA-N 432.524 4.404 5 20 IIBD CC(C)Sc1ccc([C@@H](C)NC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)cc1 435863441 AHDSPKWOMIAGSV-CQSZACIVSA-N 441.509 4.240 5 20 IIBD CN(C)CCN(CCCc1ccccc1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 436319054 QJYPJGWTOHXPJU-UHFFFAOYSA-N 427.548 4.318 5 20 IIBD C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] 436402329 VTPHYWMLVRBJOC-ZDUSSCGKSA-N 437.422 4.438 5 20 IIBD CC(C)n1cnnc1-c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Br 439651168 VMEINIUSEJZHGS-UHFFFAOYSA-N 430.262 4.449 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 439865494 JUEYIBQINSDCIL-UHFFFAOYSA-N 447.451 4.235 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1c(C)nn(CC(F)(F)F)c1C 439908008 ZBYJPLDNKGRWBT-SNVBAGLBSA-N 429.399 4.252 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N2CC[C@H]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] 441566567 DTGYNPIXSAFIMC-IRXDYDNUSA-N 440.521 4.046 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccc(Br)cc1F 445633906 XGYFTQOLEAGEHW-UHFFFAOYSA-N 432.043 4.440 5 20 IIBD C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1nc(C2CCCCC2)no1 446030446 FTNHOORWNWMDAO-LLVKDONJSA-N 437.294 4.208 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3oc(C4CC4)nc3c2)c(Br)c1 446992353 CEWVXAAMQWEVNH-UHFFFAOYSA-N 438.259 4.177 5 20 IIBD CCS(=O)(=O)c1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1 447312652 HKHAFXADDPOFTI-UHFFFAOYSA-N 440.477 4.220 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(CC2CCCC2)n1C[C@@H]1CCOC1 461390973 RYGLFEWUOPRJSP-FQEVSTJZSA-N 427.549 4.371 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)NC(c2cccs2)c2cccs2)c2ncccc12 464412042 QKUNMIWKWVBYIR-UHFFFAOYSA-N 431.520 4.334 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N(C)Cc2cc(Cl)cn2C)cc1[N+](=O)[O-])c1ccccn1 466855901 OAAZCECQEADDOJ-CQSZACIVSA-N 427.892 4.427 5 20 IIBD CCN([C@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 469181736 GCSOQQQWICPUPE-JOCHJYFZSA-N 441.509 4.107 5 20 IIBD CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 470736196 JBMGZPYTWFYSFC-UHFFFAOYSA-N 448.401 4.165 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@H](OC1CCOCC1)c1ccccc1 471060497 XMXDBPISGCOUGT-ZHRRBRCNSA-N 428.485 4.049 5 20 IIBD COc1cc(C(=O)N(C)c2ccc3cc[nH]c3c2)c([N+](=O)[O-])cc1OCc1cscn1 473533217 YFEOOPGIEJXKNE-UHFFFAOYSA-N 438.465 4.397 5 20 IIBD Cc1cc(NC(=O)NC2(c3noc([C@H]4CCOC4)n3)CCCCCC2)ccc1[N+](=O)[O-] 473770826 NDHQAYVAXNLTDQ-HNNXBMFYSA-N 429.477 4.161 5 20 IIBD COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)cc1 474099691 VOOBQLXKWIIXQM-QGZVFWFLSA-N 447.491 4.220 5 20 IIBD COc1cc(CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)ccc1OCC(F)(F)F 475550355 QTGIYNOPDSAVOZ-UHFFFAOYSA-N 427.379 4.483 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(C(C)(C)C)c1O 480069953 NSTNYCSBGQOWOA-SFHVURJKSA-N 445.541 4.088 5 20 IIBD COCCCC[C@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)c1ccccc1 480588941 LBKQBHILDQJLKR-FQEVSTJZSA-N 447.557 4.349 5 20 IIBD C[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)Oc1ccccc1Br 484821702 ORDRPXLXPBACPT-AWEZNQCLSA-N 448.317 4.473 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)S(=O)(=O)Cc1nn(-c2ccccc2)c2c1CCC2 485319685 OMLHBOLUNQYCGE-MRXNPFEDSA-N 425.510 4.254 5 20 IIBD CN(C(=O)[C@H]1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1)c1ccccc1 485420535 MPANDBNINFHZOB-LBPRGKRZSA-N 444.360 4.133 5 20 IIBD Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1 485636471 IBNDEGJMJHJFOG-UHFFFAOYSA-N 434.408 4.498 5 20 IIBD CCOc1cc(NC(=O)Cc2ccc(F)cc2Br)c([N+](=O)[O-])cc1OCC 485773235 VZEZNUDVNOFJLG-UHFFFAOYSA-N 441.253 4.475 5 20 IIBD C[C@@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@H](c2cccc(C(F)(F)F)c2)O1 488031368 DGUTWTJLSKSTDJ-AUUYWEPGSA-N 437.418 4.328 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]1Cn1cnc2ccccc21 488353505 YBWGOMSBWRZPSP-KRWDZBQOSA-N 427.892 4.015 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 489507167 BKGDUVWYQQJEPV-AWEZNQCLSA-N 448.907 4.263 5 20 IIBD COc1ccc(CSCC(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)cc1[N+](=O)[O-] 489620043 IHNNISJWZMWOOH-OAQYLSRUSA-N 443.569 4.098 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N[C@@H]2CCC[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] 489657848 BIUJPFOUSAEJIA-SJLPKXTDSA-N 437.525 4.331 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2 489982153 NHNOUUNBHLFDRF-SJKOYZFVSA-N 429.498 4.307 5 20 IIBD CCCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@H](C)C(=O)Nc1ccccc1C 489999179 PJRLWRNGHSEAOA-GOSISDBHSA-N 438.528 4.383 5 20 IIBD CCn1c(CCNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nc2ccccc21 495161970 ZPHYNNGJXQBJTE-UHFFFAOYSA-N 435.406 4.025 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)cc1 496640845 ATQVRKBFQAFERL-CYBMUJFWSA-N 425.445 4.128 5 20 IIBD Cc1cccc(N2CCN(Cc3ccc(NC(=O)c4c(N)cccc4[N+](=O)[O-])cc3)CC2)c1 499588586 PUQZDXNRHXKMOM-UHFFFAOYSA-N 445.523 4.060 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 501730075 YRLIATQBLDVGIW-UHFFFAOYSA-N 426.860 4.422 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)NCC1(c2c(F)cccc2F)CCCC1 501980916 ISTQCGCFWWKEGV-CQSZACIVSA-N 433.455 4.310 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cc(C3CCC3)nn2-c2ccccc2)cc1[N+](=O)[O-] 505020477 JNANFDJYMHLRPM-MRXNPFEDSA-N 447.495 4.172 5 20 IIBD Cn1cc(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 505422258 VIBUYNSWUXBMRI-UHFFFAOYSA-N 426.432 4.479 5 20 IIBD CCCC[C@H](NC(=O)c1cc(C)cc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 505551436 SISDFVLQCBSKJU-QFIPXVFZSA-N 438.528 4.431 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1cc(F)ccc1Oc1ccccc1 506756437 MMGCQUNLZDKNMN-UHFFFAOYSA-N 437.427 4.166 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC3CCN(c4ccccc4)CC3)cc2[N+](=O)[O-])C1 507598248 GOJIYZDHDHCWCD-RTBURBONSA-N 436.556 4.476 5 20 IIBD Cc1ccccc1[C@H]([C@@H](C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)N(C)C 510527925 ZDOIBCRABGYYBL-BCHFMIIMSA-N 427.548 4.271 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](NC(=O)c1ccc(Cl)s1)C(C)C 510765560 RMJNKTOLSIYTIX-MRXNPFEDSA-N 425.894 4.102 5 20 IIBD COc1cc(CN(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)c([N+](=O)[O-])cc1OC 511508110 RIFJVVHIXPOJOW-UHFFFAOYSA-N 428.464 4.206 5 20 IIBD O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 513596401 AJFPPXYRWUKPPN-UHFFFAOYSA-N 449.429 4.326 5 20 IIBD COC(=O)Cc1ccc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1 514046083 LUJSCVNJOIWUFU-HZPDHXFCSA-N 425.485 4.045 5 20 IIBD COc1ccc(CSCC(=O)Nc2cccc(-n3nc(C)cc3C)c2)cc1[N+](=O)[O-] 514558534 VUAWKOLCYQOCSD-UHFFFAOYSA-N 426.498 4.278 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 515520674 CQPFLCYFLMEXEF-FQEVSTJZSA-N 432.885 4.325 5 20 IIBD CCC[C@]1(CO)CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 515599067 BFKBZZBVYKVMNG-QFIPXVFZSA-N 431.920 4.485 5 20 IIBD Cc1c(NC(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)cccc1[N+](=O)[O-] 516160664 CCNILHSCXWZBRW-AWEZNQCLSA-N 433.306 4.314 5 20 IIBD O=C(Nc1ccc(F)cc1OCC(F)(F)F)N1CCOc2ccc([N+](=O)[O-])cc2C1 516217066 BBPHVMXALABYNG-UHFFFAOYSA-N 429.326 4.102 5 20 IIBD CC(C)N(C)C(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 518634950 UTOZGPYBICVVAJ-UHFFFAOYSA-N 425.485 4.106 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)NCc1ccc(-c2nc3ccccc3s2)o1 518827794 OKQDKBKKQSFNOS-UHFFFAOYSA-N 438.465 4.343 5 20 IIBD CN(Cc1cccc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c1)Cc1cscn1 520318227 DOSKESZBSZKWPV-UHFFFAOYSA-N 435.509 4.277 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 522239948 CDKHXKITCCZBQK-QGZVFWFLSA-N 428.247 4.324 5 20 IIBD Cc1ccc(NC(=O)c2ccc(Oc3cccc(C(=O)NC[C@H](C)O)c3)c([N+](=O)[O-])c2)cc1 522871247 GBTCGDMGWFQIJF-INIZCTEOSA-N 449.463 4.058 5 20 IIBD COc1ccc(CC[C@@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])ccc2OC)cc1OC 523566281 YUCDMTLLTSYHLH-KRWDZBQOSA-N 428.485 4.248 5 20 IIBD Cc1ccc(NCCCNC(=O)N[C@H](c2ccccc2)c2nccs2)c([N+](=O)[O-])c1 524724032 QUTWBFXSQHHDKN-LJQANCHMSA-N 425.514 4.251 5 20 IIBD Cc1ccc(NC(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1OCC1CCCCC1 524998995 YOVHMYFTXYILJR-UHFFFAOYSA-N 439.512 4.160 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C(=O)Nc1ccccc1)c1ccccc1 533487462 AKPVRHXKFQBYBD-HSZRJFAPSA-N 432.480 4.201 5 20 IIBD CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 534611622 YYLMZXOFLBGBLX-UHFFFAOYSA-N 448.445 4.228 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1 538192541 ZOCBDKFPCJAURQ-HXUWFJFHSA-N 441.553 4.059 5 20 IIBD COCCOc1c(Cl)cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1Cl 540214735 KIKBKDOPOHTAKO-UHFFFAOYSA-N 435.285 4.036 5 20 IIBD Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 541387064 RCXMWXKHSPWVDP-UHFFFAOYSA-N 444.451 4.483 5 20 IIBD Cc1ccc2nc([C@@H]3CCCN(S(=O)(=O)c4c(Cl)cccc4[N+](=O)[O-])C3)[nH]c2c1 541914065 ILRVBXVZPYXUHM-CYBMUJFWSA-N 434.905 4.001 5 20 IIBD COc1ccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1N1CCCC1=O 542222041 AIDWGINREGKBDT-UHFFFAOYSA-N 435.889 4.114 5 20 IIBD COc1cc(CCNC(=O)N2CCC(c3ccccc3C)CC2)c([N+](=O)[O-])cc1OC 543639355 GSSCQIHVCFOXHL-UHFFFAOYSA-N 427.501 4.052 5 20 IIBD COc1cc(Br)ccc1CCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 543854481 RXOCMVIJYBVVML-UHFFFAOYSA-N 433.302 4.490 5 20 IIBD C[C@@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1nccs1 544587353 BVTBUSXJGBHVGB-LBPRGKRZSA-N 442.463 4.206 5 20 IIBD Cc1nc2c3ccccc3nn2c(C)c1CCc1nc(Cc2ccccc2[N+](=O)[O-])no1 545528651 ONYQRPIZKXLAAV-UHFFFAOYSA-N 428.452 4.167 5 20 IIBD O=[N+]([O-])c1ccc2nc(O)cc(-c3nc(Cc4ccc(Br)cc4)no3)c2c1 545551453 HHOYBPDOHFIZMS-UHFFFAOYSA-N 427.214 4.252 5 20 IIBD O=C(NCc1nccn1-c1ccccc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 549453535 DFLKAKVVLVNVRZ-UHFFFAOYSA-N 428.448 4.290 5 20 IIBD O=C(NCc1cccc(Oc2ccccc2)c1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 551442368 MEPLLUNYTIBMSK-UHFFFAOYSA-N 445.475 4.195 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2nc[nH]n2)ccc1-c1ccncc1 552898423 PGDOZDOQJXYSQA-UHFFFAOYSA-N 432.465 4.487 5 20 IIBD CCOc1cc(N2CCN(C(=O)[C@@H](C)Cc3cncc4ccccc34)CC2)ccc1[N+](=O)[O-] 554004633 QIIPECONTHJWHA-SFHVURJKSA-N 448.523 4.069 5 20 IIBD O=C1CC[C@@H](NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])[C@@H](C2CC2)N1 556467030 GEPDIZLWBSIAHM-VQIMIIECSA-N 445.928 4.186 5 20 IIBD O=C(c1cc(NCCc2cnc(SC3CCCC3)nc2)ccc1[N+](=O)[O-])N1CCCC1 558993842 YZVYAYVGCVEKLO-UHFFFAOYSA-N 441.557 4.310 5 20 IIBD C[C@H](C(=O)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1)c1ccc([N+](=O)[O-])cc1F 561846234 LXBXMCUBGCJBQU-KPZWWZAWSA-N 442.365 4.336 5 20 IIBD Cc1ccc(Cl)cc1N1CC[C@H](CN[C@@H](c2cccc([N+](=O)[O-])c2)c2nccn2C)C1 563691268 CVPUDZXCZCFZLJ-VGSWGCGISA-N 439.947 4.496 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N(C)CCCOC(C)C)c([N+](=O)[O-])c2)c(C)c1 571726205 PTGADNNHUASAQN-UHFFFAOYSA-N 435.546 4.264 5 20 IIBD Cc1cc(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc(N2CCCC2)n1 575102172 UALDQTACHHIQGH-UHFFFAOYSA-N 445.523 4.441 5 20 IIBD O=[N+]([O-])c1ccccc1CN(CC(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1F 578550337 WTTUEIULDMRIJQ-UHFFFAOYSA-N 426.775 4.141 5 20 IIBD Cc1ccc(C[C@@H]2CCCN(C(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)C2)cc1 578804552 RTEVOCBWJLWPAN-IBGZPJMESA-N 437.496 4.073 5 20 IIBD C[C@@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1ccc(Oc2cccnc2)cc1 580356269 BKEYWSXRJZGGHI-MRXNPFEDSA-N 427.482 4.005 5 20 IIBD CCc1nc2cc(CNc3ccc(C(=O)c4nccn4C)cc3[N+](=O)[O-])ccc2n1C1CC1 583156360 UCXQVNDLCBWQLH-UHFFFAOYSA-N 444.495 4.418 5 20 IIBD C[C@H](Oc1ccccc1NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)C(F)(F)F 583723034 ZCFRJZPQXTWVND-LBPRGKRZSA-N 425.363 4.351 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(N(C(C)=O)[C@H]3C[C@H]3C)cc2)cc1[N+](=O)[O-] 584134147 ZFOHEKXKUPYQKE-KUHUBIRLSA-N 443.525 4.237 5 20 IIBD O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 589996164 VOAABJJJEXYBNV-LJQANCHMSA-N 441.553 4.448 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(OCC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)c1 603913697 CECVVXGDTMBVBR-LJQANCHMSA-N 440.496 4.421 5 20 IIBD COc1ccc(CNc2cnn(-c3ccc(C)c(Cl)c3)c(=O)c2Cl)cc1[N+](=O)[O-] 603933315 CQUBCQSZFQOVNT-UHFFFAOYSA-N 435.267 4.377 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1)c1ccc([N+](=O)[O-])o1 603937323 QCMGMAAWLLKWFZ-UHFFFAOYSA-N 439.808 4.033 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 604038228 XRCDVWJUZOFOKF-UHFFFAOYSA-N 435.889 4.266 5 20 IIBD CCN1CCN(Cc2ccc(CNCc3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)CC1 608836204 OHYCIXSEXIKDCH-UHFFFAOYSA-N 434.540 4.282 5 20 IIBD COc1ccc(CC(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1[N+](=O)[O-] 609011233 JWCCPZHBUDRSNL-INIZCTEOSA-N 433.464 4.276 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc(F)cc1C(F)(F)F 609065207 HHBCGWFPPCUWFX-UHFFFAOYSA-N 427.310 4.080 5 20 IIBD CCCN(Cc1ccccc1F)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 609134421 NPXRWEXIVPNAFY-UHFFFAOYSA-N 431.283 4.097 5 20 IIBD CSc1ccccc1NC(=O)CN(C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 609193441 MRISYBMXKZAYFF-UHFFFAOYSA-N 426.498 4.085 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NC2CCN([C@H](C)c3ccccc3)CC2)cc1SC 609696223 PYDJNTASQQKKAV-OAHLLOKOSA-N 429.542 4.281 5 20 IIBD COC(=O)[C@@H](c1ccccc1)N(C)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 609861544 DKMBYOLPLLXCGB-KSFYIVLOSA-N 448.479 4.149 5 20 IIBD Cc1ccc(-n2nc(-c3ccco3)cc2NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cc1 609977843 WNYDULCXJFSNBF-UHFFFAOYSA-N 446.419 4.372 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1[N+](=O)[O-] 725948738 UWYUMQBPEUMFRN-VIFPVBQESA-N 446.765 4.460 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)OCc2nc(-c3ccccc3)oc2C)ccc1[N+](=O)[O-] 726675192 GCAOEIODDADLJZ-NRFANRHFSA-N 449.463 4.215 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 729572723 JTTJFSIMGOMTIF-UHFFFAOYSA-N 441.488 4.296 5 20 IIBD CC(C)c1cccc(O[C@@H](C)C(=O)OC[C@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])c1 730704041 LMBUOMVFRLVVSK-PKOBYXMFSA-N 440.496 4.334 5 20 IIBD COc1ccc2cc(/C=C\C(=O)O[C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)ccc2c1 731508754 RLGRLCBXRDCAFT-RWKBYAJOSA-N 432.432 4.119 5 20 IIBD O=C(OCc1nc(-c2ccc(Br)s2)no1)c1ccc(Cl)c([N+](=O)[O-])c1 734024864 SNBCJRDWHMHVNV-UHFFFAOYSA-N 444.650 4.479 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cc([N+](=O)[O-])cc2c1OCCO2 735250345 FSEGNOJKWKWCIU-UHFFFAOYSA-N 437.364 4.319 5 20 IIBD COc1ccc([C@H]2CCCCCN2C(=O)COC(=O)c2cc(C)ccc2[N+](=O)[O-])cc1 745387698 LSXHTPNRYFTRAP-HXUWFJFHSA-N 426.469 4.213 5 20 IIBD O=C(OCc1ccccc1[N+](=O)[O-])[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 745504920 APOFFIAFKPZOHR-GOSISDBHSA-N 425.268 4.018 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1I)c1ncc(C(C)(C)C)o1 747700788 WGNJOBCLXSHLLK-VIFPVBQESA-N 444.225 4.403 5 20 IIBD CCc1nc(C(=O)OCCCOc2ccc([N+](=O)[O-])cc2)nn1-c1ccccc1Cl 748401207 QXMOADZTDIIUOL-UHFFFAOYSA-N 430.848 4.017 5 20 IIBD CC(C)C(=O)Nc1nc(CC(=O)Oc2ccc(Cc3ccccc3)cc2[N+](=O)[O-])cs1 749067356 QPUOEFXHSZAAET-UHFFFAOYSA-N 439.493 4.385 5 20 IIBD COc1cc(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)ccc1OC(C)C 750583894 XIFIFVSRFGAUPF-UHFFFAOYSA-N 449.301 4.352 5 20 IIBD COC(=O)c1occc1CN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H](C)c1ccccn1 751132169 XYGNPSBVVHTXRU-ZDUSSCGKSA-N 443.843 4.426 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2nc(COc3ccccc3)cs2)cc1[N+](=O)[O-] 752192604 ZOQXFEUPFMOOLA-UHFFFAOYSA-N 439.902 4.393 5 20 IIBD Cc1cc(F)cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)c1[N+](=O)[O-] 752553872 LDMGIOXKLWIHOV-HNNXBMFYSA-N 429.448 4.217 5 20 IIBD Cc1csc(C(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1Br 753651877 SOZQOTSDJIFBJJ-UHFFFAOYSA-N 433.667 4.176 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H](C(=O)N1CCCc2c1cccc2[N+](=O)[O-])c1ccccc1 754406723 ZWLMTEDHRGNSEE-GOSISDBHSA-N 425.485 4.183 5 20 IIBD Cc1cc(Br)ccc1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 755000642 IXMUPUNYYNZILM-UHFFFAOYSA-N 446.070 4.497 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1ccccc1)C[C@@H](O)c1cccs1 756053833 CPRVFHHNNNVVSU-HXUWFJFHSA-N 425.510 4.139 5 20 IIBD CCOc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Br)c1OC(F)F 756990445 JVICNVDMRSIPIJ-UHFFFAOYSA-N 445.216 4.287 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 758088401 YIYIMFSYEPDBOS-SSDOTTSWSA-N 449.744 4.172 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cn2c(=S)oc3ccc([N+](=O)[O-])cc32)C1 758402267 HRBKEITYQIWSOD-KGLIPLIRSA-N 436.534 4.455 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cc(Br)c(F)cc1F 759028329 OTFOSVGADWIFPT-UHFFFAOYSA-N 440.156 4.043 5 20 IIBD COc1cccc2c1CC[C@@H]2Nc1cc([N+](=O)[O-])c(OC)c(Br)c1[N+](=O)[O-] 759715179 VUOWUFCMAXNUBH-NSHDSACASA-N 438.234 4.382 5 20 IIBD O=C(COc1ccc(C2SCCCS2)cc1)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 759795248 DXEVSTCTYRAUDU-UHFFFAOYSA-N 430.511 4.357 5 20 IIBD C[C@H](OC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OC(C)(C)C 762779481 ABGFRUYHBPTNAJ-LBPRGKRZSA-N 448.859 4.388 5 20 IIBD C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@@H](O)c1c(F)cccc1Cl 765181906 AEAMQCMMJLWFFC-NZFNHWASSA-N 449.635 4.141 5 20 IIBD Cc1cc(-c2noc(COC(=O)c3ccc(Br)cc3[N+](=O)[O-])n2)ccc1F 767365974 DIXQYHIKCXDUAQ-UHFFFAOYSA-N 436.193 4.212 5 20 IIBD O=C(COC(=O)Cc1ccc(F)cc1Cl)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 768071129 BRBASNNDWVWEKL-UHFFFAOYSA-N 434.729 4.131 5 20 IIBD CCCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCN(C(=O)OC(C)(C)C)CC1 768542985 PSLGKAPVVCPMFW-UHFFFAOYSA-N 435.521 4.073 5 20 IIBD O=Cc1ccc(OCC(=O)N2CCC[C@@H](Cc3csc4ccccc34)C2)c([N+](=O)[O-])c1 768646393 XYGHBYBWABYADX-INIZCTEOSA-N 438.505 4.482 5 20 IIBD CC[C@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC[C@H]1NC(=O)OC(C)(C)C 769486561 UTNDVASCCOTJTQ-GOEBONIOSA-N 442.354 4.483 5 20 IIBD COc1ccc(CN2CCC(N(C)CC(F)F)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 769517477 WRTMVYZOZLTIKG-UHFFFAOYSA-N 449.498 4.344 5 20 IIBD Cc1ccc(N(C)C(=O)c2ccccc2[N+](=O)[O-])cc1N(C)C(=O)c1ccccc1[N+](=O)[O-] 769731898 VNNHJLZRTVDMTL-UHFFFAOYSA-N 448.435 4.365 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 770021194 URVPXCDGKVMURF-QGZVFWFLSA-N 432.864 4.200 5 20 IIBD Cc1sc2nc(CS[C@@H](C)C(=O)OCc3ccc([N+](=O)[O-])cc3)nc(O)c2c1C 770222193 MKASKCJMONMCEY-LBPRGKRZSA-N 433.511 4.287 5 20 IIBD C[C@H](NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)[C@H](O)c1c(Cl)cccc1Cl 771716327 LOWMLVBRWCPLOW-YYSFKGJASA-N 436.251 4.007 5 20 IIBD COCCOc1c(Cl)cc(NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Cl 773206530 XKAYRMKZOGOGLI-UHFFFAOYSA-N 428.272 4.286 5 20 IIBD CC(C)[C@@H](OC(=O)c1sc(Br)cc1[N+](=O)[O-])C(=O)N(C)c1ccccc1 773605719 ZSLMNNKJURKWSN-CQSZACIVSA-N 441.303 4.263 5 20 IIBD COc1ccc(OCC(=O)O[C@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])cc1 774366433 JTBFXEVCJFPKDB-GOSISDBHSA-N 438.274 4.176 5 20 IIBD CC(C)(C)OC(=O)NCCC(=O)O[C@@H](c1ccc(Br)cc1)C(C)(C)[N+](=O)[O-] 774368232 XBHCFJNZCIUFHV-HNNXBMFYSA-N 445.310 4.004 5 20 IIBD COc1cc(CNC[C@H]2COC3(CCCCCC3)O2)c([N+](=O)[O-])cc1OCC(F)(F)F 776958722 GMHQQYYPFTUFIP-HNNXBMFYSA-N 448.438 4.100 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)c1csc(Cc2ccc(F)cc2)n1 778808982 GJVGKKMXYWIIPS-MRXNPFEDSA-N 445.447 4.356 5 20 IIBD O=C(Cc1csc(-c2ccccc2)n1)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 778811312 QZPVQOXCINJBBR-KRWDZBQOSA-N 427.457 4.222 5 20 IIBD COc1cc([C@@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C(F)(F)F)cc(OC)c1OC 779453271 ZYLJVGTVJATEQY-MRXNPFEDSA-N 448.781 4.307 5 20 IIBD O=C(CN1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] 782525283 YGUNCSACZWCDHE-QGZVFWFLSA-N 443.809 4.279 5 20 IIBD C[C@@H](OC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 784657908 JJMPSJDCGXITTF-LLVKDONJSA-N 429.903 4.048 5 20 IIBD CCCC[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br 784705455 YMNRKHAVTPWDNO-OCCSQVGLSA-N 426.311 4.079 5 20 IIBD C[C@H]1CSc2ccc(Cl)cc2N(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 784751065 ZSMCKPPKELAERN-CQSZACIVSA-N 447.944 4.473 5 20 IIBD COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Oc1cc(Cl)ccc1[N+](=O)[O-] 786844157 VMCGOWZUTKTCAU-JTQLQIEISA-N 436.269 4.083 5 20 IIBD Cc1c(C(=O)N(C)CCOc2ccc(C(F)(F)F)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 787549762 WRZSSTZBOFYBEG-UHFFFAOYSA-N 441.362 4.290 5 20 IIBD Cc1c(C(=O)O[C@@H](C)C(=O)c2ccccc2Br)cc([N+](=O)[O-])cc1[N+](=O)[O-] 789033014 NLNIXRSAOXCTPS-JTQLQIEISA-N 437.202 4.002 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)c1F 790272431 FZDHHGIZRKXONO-UHFFFAOYSA-N 425.391 4.364 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Oc2ccc(-c3ncc4n3CCCC4)cc2)c1[N+](=O)[O-] 790422889 JLLJZLFXSJPWOL-UHFFFAOYSA-N 427.482 4.179 5 20 IIBD CCOc1c(Cl)cccc1CC(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 791502061 DRMDXCPGLYTDBL-UHFFFAOYSA-N 427.240 4.025 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(N2CCCCC2)c2ncccc12 791950279 UINQHIHINZYVCF-UHFFFAOYSA-N 430.468 4.122 5 20 IIBD O=[N+]([O-])c1cc(CN2CCC([C@@H](O)c3ncc[nH]3)CC2)ccc1Oc1ccc(F)cc1 793182292 NXRCMDLADWJRBY-OAQYLSRUSA-N 426.448 4.195 5 20 IIBD Cc1cc(C(=O)COC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c(C)n1CC(F)(F)F 796446573 ZYZPJJIXDALYEM-UHFFFAOYSA-N 426.391 4.279 5 20 IIBD Cc1cc(OCC(=O)N2CCCN(C(=O)OC(C)(C)C)c3ccccc32)ccc1[N+](=O)[O-] 797456270 AHAUAPZJBTYZEV-UHFFFAOYSA-N 441.484 4.460 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1sc(N2CCOCC2)nc1-c1ccccc1 799298276 WWLBTANFGJARGJ-UHFFFAOYSA-N 444.900 4.461 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)OC(Cc2ccccc2)Cc2ccccc2)cc1[N+](=O)[O-] 802064422 PZBBIDFIIASQKB-UHFFFAOYSA-N 439.489 4.009 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)c1 804314194 JDADMDNWSOPIBK-FQEVSTJZSA-N 425.485 4.168 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cc(C)cc2c1NCC[C@H]2C 809554550 OGZQZYPOYTXUHZ-ZIAGYGMSSA-N 427.457 4.015 5 20 IIBD CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1cccc([N+](=O)[O-])c1Cl 809921040 CEMYHEMOQRCBEM-UHFFFAOYSA-N 433.896 4.043 5 20 IIBD CCc1ccc(CN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C2CC2)cc1 810351076 KNEJRBLVSVHZFQ-UHFFFAOYSA-N 446.301 4.049 5 20 IIBD C[C@H](OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(c1nccs1)C1CCCCC1 812532046 FQCWCUCVWSIJJR-RZXPCSSPSA-N 429.498 4.362 5 20 IIBD CCOc1ccc([C@@H](O)C2CCN(CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1 812863101 CLIVVVHJNVETRU-XMMPIXPASA-N 441.528 4.076 5 20 IIBD O=C(NC[C@@H]1CCN(c2ccccc2F)C1)Nc1ccc(Br)c([N+](=O)[O-])c1 812957426 UCLKMMCGCSPIPA-LBPRGKRZSA-N 437.269 4.144 5 20 IIBD O=C(O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)c1coc(-c2ccccc2Cl)n1 813173733 HULDCWWHPZGTRZ-INIZCTEOSA-N 427.844 4.335 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 813292179 LRLNUVUOIDDLMP-UHFFFAOYSA-N 434.477 4.234 5 20 IIBD C[C@H](CO)n1c(C(F)(F)F)nc2cc(NCc3c(F)cc([N+](=O)[O-])cc3F)ccc21 864039460 FMOUGOYGDLTPBM-SECBINFHSA-N 430.333 4.407 5 20 IIBD COc1ncccc1C(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 907268369 NNILGPPAGKLDRO-UHFFFAOYSA-N 427.800 4.123 5 20 IIBD C[C@H]1CN(Cc2ccc(C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)cc2)C[C@@H](C)O1 914781245 RDOLTTLMDFGBSY-IYBDPMFKSA-N 431.920 4.130 5 20 IIBD O=C(COC(=O)c1csc(Cc2ccccc2)n1)Nc1ccc([N+](=O)[O-])cc1Cl 915455105 VNAJNBFBYFYDFI-UHFFFAOYSA-N 431.857 4.091 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1[nH]c2ccccc2c1Br 915512052 VRQFYPXGDGRAAY-UHFFFAOYSA-N 443.213 4.246 5 20 IIBD COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 916190781 MUIVSQJWIJHXPA-SFHVURJKSA-N 429.523 4.020 5 20 IIBD CCCCOc1ccc([C@@H](C)NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1OC 916446220 DVXLTJDRBGBUSP-OAHLLOKOSA-N 426.473 4.009 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c(Cc2ccccc2)c1 918194832 YMWVQVYPRWZPAQ-UHFFFAOYSA-N 432.385 4.001 5 20 IIBD Cc1ccccc1CN(C(=O)c1cc([N+](=O)[O-])ccc1I)C1CC1 918539823 UBORAAJNCPZOFM-UHFFFAOYSA-N 436.249 4.313 5 20 IIBD O=C(COC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 919367915 FOZHXMSLLDISHX-UWVGGRQHSA-N 442.312 4.464 5 20 IIBD O=C(N[C@H]1CCc2c(Cl)cccc21)c1cc([N+](=O)[O-])ccc1I 919836901 JIAVVDJHKOGUKL-HNNXBMFYSA-N 442.640 4.270 5 20 IIBD O=C(OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)-c1ccccc1C2 920148152 NMQDKMWGBVBMQY-UHFFFAOYSA-N 436.851 4.406 5 20 IIBD COc1cc(OCC(=O)OCc2cc(=O)oc3cc(C)c(C(C)C)cc23)ccc1[N+](=O)[O-] 921111032 NSBTUEIVQJJMTN-UHFFFAOYSA-N 441.436 4.264 5 20 IIBD CCCCCn1nc(-c2nnc(COc3ccccc3[N+](=O)[O-])o2)c2ccccc2c1=O 1117205880 JWQVOXYALBXLNJ-UHFFFAOYSA-N 435.440 4.124 5 20 IIBD O=c1ccc([N+](=O)[O-])cn1Cc1nnc(-c2cc(-c3ccccc3)nc3ccccc23)o1 1117206598 WSRYTKKWPLEJPK-UHFFFAOYSA-N 425.404 4.070 5 20 IIBD O=C(c1csc(Cc2ccc(Cl)cc2)n1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 1251968742 HAHQOFCGSNNARV-HNNXBMFYSA-N 443.916 4.017 5 20 IIBD O=C(Nc1ccc(CNc2ccc(I)cc2[N+](=O)[O-])cc1)C1CC1 1317880848 MQIUBYOAGOYDBT-UHFFFAOYSA-N 437.237 4.160 5 20 IIBD O=C(c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1)N1CCc2c1cccc2[N+](=O)[O-] 1318752977 FWQMHPDQBBBERH-UHFFFAOYSA-N 425.448 4.409 5 20 IIBD CCOc1ccc(CN(C)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1OC 1319480688 CZNQUXCKTITIEB-UHFFFAOYSA-N 438.278 4.429 5 20 IIBD O=C(Nc1nnc2ccc(Cl)nn12)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 1322052099 OLTRALNHOVIUEG-UHFFFAOYSA-N 445.222 4.384 5 20 IIBD CC(C)(C)OC(=O)C1(NC(=O)c2sc(Br)cc2[N+](=O)[O-])CCCCC1 1518426133 XMYDDSASZALNNS-UHFFFAOYSA-N 433.324 4.193 5 20 IIBD COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)C4(C)CC4)CCC3)cc2)c([N+](=O)[O-])c1 1790570744 IWFVDXIBPNBMOP-UHFFFAOYSA-N 437.496 4.080 5 20 IIBD Cc1cccnc1C(=O)NC1(c2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2)CCC1 1790695676 LBUHGUIJXMMDAV-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2)CCC1 1790825592 WMFWUXJXKZNPRW-UHFFFAOYSA-N 435.484 4.265 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)NC1(c2ccc(NC(=O)c3cc(F)c[nH]3)cc2)CCC1 1791470874 AXXPTBLGVRQQJP-SOFGYWHQSA-N 438.415 4.116 5 20 IIBD Cc1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)C3CCCC3)n[nH]2)cc1[N+](=O)[O-] 1816679816 IYVUTYVUCKBDAB-IBGZPJMESA-N 439.516 4.051 5 20 IIBD CC(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)n[nH]1 1820840400 DERHNJVBVHIDBY-LJQANCHMSA-N 439.516 4.088 5 20 IIBD C[C@@H]1C[C@]1(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830224814 VVLCDGCTRWPNRU-OFSQETHSSA-N 431.508 4.013 5 20 IIBD Cc1cc(Cl)ccc1C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 1847057034 BCIWXKUOICOMQM-JXMROGBWSA-N 439.899 4.087 5 20 IIBD CCNC(=O)COC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 3481047 RDGFCOZAHHOJKY-UHFFFAOYSA-N 428.388 4.058 5 20 IIBD CNc1ccc(C(=O)O[C@@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)cc1[N+](=O)[O-] 9924144 VDKQHBYYZUKBPW-JOCHJYFZSA-N 449.463 4.490 5 20 IIBD CC(=O)NCc1ccc(-c2csc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)n2)o1 12052493 NZSOZTACVALODH-UHFFFAOYSA-N 442.478 4.414 5 20 IIBD CCOc1cc2c(cc1NC(=O)C1CCN(c3ccccc3[N+](=O)[O-])CC1)O[C@H](C)C2 18238527 FQFPUDFMYOWICM-OAHLLOKOSA-N 425.485 4.172 5 20 IIBD CSc1ccc(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1[N+](=O)[O-] 23648885 ODLLQCOIDMNIJA-UHFFFAOYSA-N 439.459 4.294 5 20 IIBD COc1ccc(CN(C(=O)COC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C2CC2)cc1 27762446 RDZVHVOVSWRUKV-UHFFFAOYSA-N 440.496 4.249 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)cc1OC 58770951 YEJQLVOWDWUMHF-MRXNPFEDSA-N 436.411 4.411 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCCC(=O)Nc1ccc(Cl)cc1 59581800 RZARHNMSXHNLGV-UHFFFAOYSA-N 447.922 4.343 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 59742080 MJCLIDVUSJIEQJ-INIZCTEOSA-N 426.231 4.284 5 20 IIBD CCCCN1C(=O)C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H]1c1ccc(OC)cc1 60520236 WTYFYQDQAHJHCC-DENIHFKCSA-N 425.485 4.240 5 20 IIBD Cc1ccc(C(=O)N[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 107587646 RNIHROXERMERCP-KRWDZBQOSA-N 435.402 4.016 5 20 IIBD O=C(Nc1ccc(Br)cn1)C1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 108024721 JZGYHFNQFURNGV-UHFFFAOYSA-N 439.697 4.261 5 20 IIBD NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F 302137377 DKXXZZDVUWJKRV-ZFWWWQNUSA-N 429.420 4.009 5 20 IIBD C[C@H](COc1ccccc1C(F)(F)F)NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 303476714 OXZTUBCODHIJCG-LLVKDONJSA-N 435.358 4.065 5 20 IIBD COc1ccc(C[C@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])c2ccc(OC)cc2)cc1 435617722 ODCXPFLWCNRDID-NRFANRHFSA-N 436.464 4.334 5 20 IIBD CN(C)CCOc1cccc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1 436243592 AYGJCFFXIFDJMR-UHFFFAOYSA-N 437.446 4.152 5 20 IIBD Cc1cc(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c2cccnc2c1C 437322530 FAKJZHLBCINJBM-UHFFFAOYSA-N 436.287 4.323 5 20 IIBD COc1cc(CNc2cc(NC(=O)N(C)C)ccc2C)c([N+](=O)[O-])cc1OCC(F)F 437347769 OAAJPCWQJPSIAO-UHFFFAOYSA-N 438.431 4.261 5 20 IIBD CC(C)(C)Cc1nc(-c2cccc(C(=O)Nc3n[nH]c(-c4cccc([N+](=O)[O-])c4)n3)c2)no1 439189010 NPLVITSNUVJKKL-UHFFFAOYSA-N 447.455 4.271 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 439915631 PDKXEVRRSUSWOL-UHFFFAOYSA-N 428.272 4.327 5 20 IIBD COCc1nc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c(-c2ccccc2)s1 441298526 WBBKFXFKHNBNRN-UHFFFAOYSA-N 431.901 4.491 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1 444739039 ZUFVGQILPZWGRO-HNNXBMFYSA-N 431.514 4.027 5 20 IIBD CCN(CC)[C@@H](CNC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccccc1Cl 444884676 ASJAAVYBMDRDGL-IBGZPJMESA-N 444.923 4.007 5 20 IIBD O=C(Nc1nnc(CC2CCCCC2)s1)c1sc(Br)cc1[N+](=O)[O-] 445199045 XBOARWOZDFPSFO-UHFFFAOYSA-N 431.337 4.645 5 20 IIBD CC(C)C[C@H](CNC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N[C@@H](C)c1ccccc1 445220458 UROWDBJZJPOXNA-FUHWJXTLSA-N 438.532 4.036 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(Cc3c[nH]c4cccc(Br)c34)n2)c1 445571679 OOJVGHQIHOAKSF-UHFFFAOYSA-N 443.257 4.412 5 20 IIBD CCN(C(=O)Cc1noc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1)c1ccccc1 445674290 IQPBGTWONKKIIT-UHFFFAOYSA-N 435.465 4.364 5 20 IIBD CC(C)(C)NC(=O)c1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1 445822206 PIELMZJSYULFHU-UHFFFAOYSA-N 434.290 4.067 5 20 IIBD COc1cc(C(=O)Nc2ncc(C(C)C)s2)c([N+](=O)[O-])cc1OCc1cscn1 460563352 VASIOXGWZLFNNX-UHFFFAOYSA-N 434.499 4.471 5 20 IIBD O=C(Nc1ccccc1)N1CCC(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 461701221 MOFINAZOBLDOFP-NRFANRHFSA-N 440.525 4.113 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC1(c2cccc(Br)c2)CCCCC1 461761572 YIUDMGRYCKVART-UHFFFAOYSA-N 449.349 4.271 5 20 IIBD CN(CCOc1ccc(Cl)cc1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 462479421 XKGIWJUPKCMRBQ-UHFFFAOYSA-N 439.704 4.255 5 20 IIBD C[C@H](Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)c1noc(Cc2ccccc2)n1 462482117 DVAYAPJEZZNPKH-INIZCTEOSA-N 431.452 4.716 5 20 IIBD COc1cc([C@H](C)NC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)ccc1OCC(C)C 464011763 JYZKZXJGGPDCOY-INIZCTEOSA-N 443.500 4.071 5 20 IIBD O=C(N[C@H]1CCO[C@@]2(CCOC2)C1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 466257765 SEEZQKBYKHKLRL-KKSFZXQISA-N 448.928 4.467 5 20 IIBD Cc1ccc(Cl)c(N(Cc2cccnc2)C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c1 466612455 UMMBJYHSIZNBPG-UHFFFAOYSA-N 448.870 4.379 5 20 IIBD Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl 467852327 OAIXALCUPGLEDL-HNNXBMFYSA-N 444.919 4.190 5 20 IIBD COc1cc(C(=O)N2CCc3c(F)cc(F)cc3[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F 468624798 FNMPQWPFYSWKJK-VIFPVBQESA-N 428.338 4.243 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1ccccc1Oc1ccccc1C 469277514 WPLCGJXCWVFKIA-SFHVURJKSA-N 437.500 4.244 5 20 IIBD Cc1ccc(-c2noc([C@H](C)NC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1F 472538564 IKEFYYWAVGDJFG-NWDGAFQWSA-N 448.838 4.390 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 473360027 VQIUXTQVKCGPTP-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD CC(C)c1cccc(C(C)C)c1NC(=O)Cn1cc([N+](=O)[O-])cc(Br)c1=O 474352888 IVDIDGGNCSKCAG-UHFFFAOYSA-N 436.306 4.405 5 20 IIBD CC(C)(C)N(CC(=O)Nc1ccc(F)cc1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 475350120 QCFLGAKVTTUGPU-UHFFFAOYSA-N 427.436 4.023 5 20 IIBD CC1CCN([C@H](CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c2cccs2)CC1 478956532 GIXXVCMGDOHIMS-HXUWFJFHSA-N 439.541 4.045 5 20 IIBD COc1ccc(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1I 479082560 SXKWCEPBSJRPQK-UHFFFAOYSA-N 426.210 4.077 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1NCCCc1ccccc1 480814763 DXRRTELXLGJUFX-SFHVURJKSA-N 446.507 4.397 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCC(O[C@@H]2CCOC2)CC1 481117357 WOHNDIIHXKQINV-LJQANCHMSA-N 446.887 4.451 5 20 IIBD CCc1c(NC(=O)COc2ccccc2[N+](=O)[O-])cnn1-c1ccc(C(F)(F)F)cc1 481861368 IXMNQRNYWUGMOM-UHFFFAOYSA-N 434.374 4.379 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(I)c(C)cc1C 483114675 DRRYIYQJDDTEGC-UHFFFAOYSA-N 426.210 4.077 5 20 IIBD Cc1ccc(-c2cccnc2)cc1NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 484954651 FPSOZQLDDOPEOI-UHFFFAOYSA-N 442.378 4.144 5 20 IIBD O=C(Nc1ccnn1[C@H]1CCCc2ccccc21)c1ccn(-c2ccccc2[N+](=O)[O-])n1 485845976 OKQVEQICTOWERX-IBGZPJMESA-N 428.452 4.155 5 20 IIBD C[C@H](c1ccccc1)N1CCC(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 487069605 FRTSIPQFKFHRRH-MRXNPFEDSA-N 430.936 4.316 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(C(=O)C(C)(C)C)cc2)ccc1[N+](=O)[O-] 487910045 KUELPJOFAKYKOF-FQEVSTJZSA-N 437.496 4.375 5 20 IIBD CCOc1cc(C(=O)N[C@@H](C)c2nc(-c3ccncc3)cs2)c([N+](=O)[O-])cc1OC 488236241 JDIHSEXMZSONIE-LBPRGKRZSA-N 428.470 4.012 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3cccc(-n4ccnn4)c3)cc2[N+](=O)[O-])n1 489210656 XAMFJKKCGJLOFA-UHFFFAOYSA-N 438.494 4.344 5 20 IIBD COc1ccc(CN(C)C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1C 489461363 UGYXUCREYHLBJD-UHFFFAOYSA-N 440.422 4.184 5 20 IIBD O=C1c2ccccc2C(=O)N1c1ccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 490547043 RVIUPNMZSGGMSE-UHFFFAOYSA-N 441.443 4.200 5 20 IIBD COc1ccc(CN(c2ccncc2)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1 493887795 HSAAWPUBBCNYBK-UHFFFAOYSA-N 427.482 4.011 5 20 IIBD CN(C)[C@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccc(F)cc1 495076558 AELLFYVSCQHKHB-HSZRJFAPSA-N 437.471 4.346 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCc2cccc(OC)c2OC2CCCC2)cc1OC 499244474 NLMMOBCZYQWNIS-UHFFFAOYSA-N 444.484 4.262 5 20 IIBD Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 501184464 CWMRAOUDSVGKPS-MRXNPFEDSA-N 437.258 4.488 5 20 IIBD Cc1cnc(O)n1-c1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 501983535 MMYIVWZXZSMSPH-KBPBESRZSA-N 443.891 4.126 5 20 IIBD CC[C@H](C)n1c(Sc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])nnc1-c1ccccc1 504176223 PPEYSNNYQYLZMR-ZDUSSCGKSA-N 432.527 4.379 5 20 IIBD O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NC1(c2ccc(Cl)cc2)CCCCC1 505167082 GHQDLUNUOLXDFW-UHFFFAOYSA-N 444.919 4.023 5 20 IIBD C[C@H](NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Oc2ccccc2)cc1 506329949 SOXTZGBDYIMFKH-DLBZAZTESA-N 433.464 4.383 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccc(-c2ccc3c(c2)CCCO3)cc1 507022042 GXZZJHLYHLWHBQ-UHFFFAOYSA-N 445.475 4.150 5 20 IIBD Cc1nc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)ccc1Br 507662048 YEOZCZKXCWQMOY-UHFFFAOYSA-N 444.289 4.175 5 20 IIBD Cc1ccc([C@@H](NC(=O)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)c2cccs2)cc1 508511332 NKLBDMFTWFXRGK-OAQYLSRUSA-N 433.493 4.129 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(c2ccc(F)cc2)CCOCC1 509765822 YMZPZIBBHYXZJR-UHFFFAOYSA-N 429.492 4.402 5 20 IIBD CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)s1 513090948 XJPYFEWNEZTVPB-CHWSQXEVSA-N 429.502 4.022 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CCN(c4ccccn4)C3)o2)c(Br)c1 513517264 GYSARTBJCPBASR-AWEZNQCLSA-N 443.301 4.381 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CNc2ccc3c(c2)C(=O)N(C)CC3)cc1OC 513635267 LHISOOHFSLJEKU-HNNXBMFYSA-N 427.501 4.269 5 20 IIBD CC(C)CCSc1ccc(C(=O)Nc2cncc(-c3nncn3C)c2)cc1[N+](=O)[O-] 514052023 PMWWIRSVDGCSBV-UHFFFAOYSA-N 426.502 4.176 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCC[C@H]2C(=O)Nc3ccccc32)cc1 515081651 RDVVDSUWVGZXPG-LJQANCHMSA-N 447.447 4.252 5 20 IIBD O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1n[nH]c2ccc([N+](=O)[O-])cc12 515580636 FOHCMOAQPPHMRN-UHFFFAOYSA-N 426.326 4.140 5 20 IIBD C[C@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccccc2)c1 518313286 GDNHGZKGYJBNDL-KRWDZBQOSA-N 448.479 4.286 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)[C@@H](C)OC[C@H]1CCCO1 519017824 PBNUSCWNOKYWIH-CZUORRHYSA-N 448.497 4.023 5 20 IIBD O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H](O)COc2cccc(C(F)(F)F)c2)o1 520216387 ASUKBIOSXWZZBI-HNNXBMFYSA-N 436.386 4.403 5 20 IIBD CCC(=O)Nc1cccc(-c2noc([C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)c1 520654033 DDWYJIVYNFGICI-IBGZPJMESA-N 449.467 4.279 5 20 IIBD Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)N4CCc5c4cccc5[N+](=O)[O-])cc3C2=O)c1 523093309 USZJFMRDBKAETR-UHFFFAOYSA-N 441.443 4.215 5 20 IIBD O=C(Nc1nnc(-c2cccc(Cl)c2)s1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 524142199 NGULWDAKLNPVPB-UHFFFAOYSA-N 426.845 4.205 5 20 IIBD CCOCCCN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)[C@@H](C)C1 524550881 LCSQRVVHLZTBRM-AVRDEDQJSA-N 441.528 4.254 5 20 IIBD C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 524654146 ROAYGOADTUKZEI-SGTLLEGYSA-N 437.315 4.399 5 20 IIBD COc1cc(C(=O)Nc2ccccc2NC(=O)c2cccs2)cc([N+](=O)[O-])c1OC 525031872 SLVAXGHHOUGTLI-UHFFFAOYSA-N 427.438 4.178 5 20 IIBD COc1ccc(S(=O)(=O)N(C)[C@H](c2ccncc2)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 531380132 KFCGABUYIUQUJM-FQEVSTJZSA-N 447.900 4.062 5 20 IIBD COc1cccc(NC(=O)COc2ccc(C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)cc2)c1 531497476 MXFIVLGFHVLREO-UHFFFAOYSA-N 449.463 4.490 5 20 IIBD Cc1ccc2c(c1)[C@H](NC(=O)C1CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC1)CO2 531914057 BFPXZAGJQNGXCD-QGZVFWFLSA-N 449.429 4.388 5 20 IIBD Cc1ccc(Cn2cccc(NC(=O)NCCCCc3ccc([N+](=O)[O-])cc3)c2=O)cc1 533620900 ODKLIZLASLAGPU-UHFFFAOYSA-N 434.496 4.258 5 20 IIBD O=C(CCN1CCCCC1)Nc1cccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 536189367 YOTFNBCTSIYFLJ-UHFFFAOYSA-N 449.511 4.072 5 20 IIBD Cn1cc(CN[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 539600075 SUBDKCHRHIZHMR-MRXNPFEDSA-N 429.883 4.156 5 20 IIBD COc1cc(C(=O)N2CCC[C@H](C)[C@H]2CO)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 539773524 JVWOAWODAOYTDH-SUMWQHHRSA-N 434.876 4.282 5 20 IIBD CN(CCC1CCN(c2ccncc2)CC1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 539979217 YYHALZBREWAQCW-UHFFFAOYSA-N 436.434 4.387 5 20 IIBD C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 544093878 NLVUALXKDFAUPK-CRAIPNDOSA-N 433.961 4.367 5 20 IIBD COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 546079513 AZGONFDSGWBPTO-ZDUSSCGKSA-N 425.466 4.322 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1nc(-c2ccc3nccnc3c2)no1 546440251 YFNKBULNTNQUAL-UHFFFAOYSA-N 430.346 4.261 5 20 IIBD O=C(Nc1nc(CN2CCCCCC2)cs1)c1ccc(Br)cc1[N+](=O)[O-] 549214092 IRZJSHZHYYORKN-UHFFFAOYSA-N 439.335 4.442 5 20 IIBD COc1ccc([C@@H](CN[C@@H](c2ccc([N+](=O)[O-])cc2)c2nccn2C)N2CCCCC2)cc1 552034182 IUGNESWLFUGNRM-RPWUZVMVSA-N 449.555 4.243 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 553170240 TZVJADZNUYBMGU-OAQYLSRUSA-N 433.430 4.352 5 20 IIBD Cc1cc(C)n(-c2ccc(NC(=O)c3cc([N+](=O)[O-])cc(Br)c3C)cn2)n1 555815312 MULVHSHDVZZEKY-UHFFFAOYSA-N 430.262 4.116 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccncc1OCc1ccccc1 557073455 RDJHHZTZANUDIT-UHFFFAOYSA-N 441.871 4.308 5 20 IIBD CCC[C@@]1(CO)CCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 558183272 XQDQSBORMCULSJ-IFMALSPDSA-N 431.920 4.413 5 20 IIBD O=C1CSc2ccc(N[C@@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)cc2N1CC(F)F 560267845 VJCDABLXVRDOGT-ZIAGYGMSSA-N 437.472 4.091 5 20 IIBD CC(C)OCc1nc([C@H](C)Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])no1 567092538 MYARYJJCJWOSMY-QMMMGPOBSA-N 425.314 4.125 5 20 IIBD COc1cc(C(=O)N(Cc2cccs2)C2Cc3ccccc3C2)cc([N+](=O)[O-])c1OC 569483372 HQMWHYFQRMMQQJ-UHFFFAOYSA-N 438.505 4.483 5 20 IIBD Cc1nccn1-c1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 569753281 RBQLGKWFQRHCLG-HNNXBMFYSA-N 449.511 4.202 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCCc3c(Cl)sc(Cl)c32)cc1 570728912 AHALCKUHEVVEOF-CYBMUJFWSA-N 435.354 4.404 5 20 IIBD CN(CCC(F)(F)F)[C@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])c1ccc(Cl)cc1 571901032 DAUYORWHBMJSJZ-MRXNPFEDSA-N 444.841 4.385 5 20 IIBD O=[N+]([O-])c1cccc(-c2ccc(CNc3cccc(S(=O)(=O)N4CCCC4)c3)o2)c1 580491945 XODPONAXVNLDRW-UHFFFAOYSA-N 427.482 4.251 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 582519246 JEAZSFIYYJBDEL-UHFFFAOYSA-N 444.366 4.048 5 20 IIBD COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 583849262 RTUGVCRONGUWQV-PIGZYNQJSA-N 425.268 4.378 5 20 IIBD COc1ccc(NC(=O)N[C@@](C)(C(=O)O)c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 583850168 DXNHYRRNDKMIKO-QGZVFWFLSA-N 428.228 4.032 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CCCC2=O)c1 585696931 XZHGWOXMBPTLQK-UHFFFAOYSA-N 432.274 4.040 5 20 IIBD O=C(CN1CCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1)Nc1ccccc1Cl 589104150 RLJXODQTTASXGM-UHFFFAOYSA-N 442.825 4.028 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12 594639155 AHUYADBHJXTWGW-UHFFFAOYSA-N 445.810 4.349 5 20 IIBD COc1cc(CSc2ccc(C(=O)N3CCCC3)cn2)c([N+](=O)[O-])cc1OC(F)F 602319111 IJQASOZAFCHTAG-UHFFFAOYSA-N 439.440 4.128 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H](NC(N)=O)c1cccc(Oc2ccccc2)c1 603478966 GTHJLPSNUFZVJY-OAQYLSRUSA-N 434.452 4.434 5 20 IIBD O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 603739582 DDUGOMHJTFVFTO-OAQYLSRUSA-N 439.903 4.001 5 20 IIBD Cc1ccc(C(=O)Nc2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])[nH]4)cc3s2)s1 608817795 DKIXTYLQOZTUPI-UHFFFAOYSA-N 427.467 4.407 5 20 IIBD O=[N+]([O-])c1ccccc1N1CCN(Cc2nnc(-c3c(Cl)cccc3Cl)o2)CC1 608832421 JOPIVJZJOQDWQN-UHFFFAOYSA-N 434.283 4.274 5 20 IIBD O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c1 608936171 KCYKAUVRGQQTCT-UHFFFAOYSA-N 434.408 4.262 5 20 IIBD CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 609410931 QPIURQQFAGGPDY-OAHLLOKOSA-N 434.283 4.233 5 20 IIBD CC1CCN(c2ccc(C(=O)N(Cc3ccccc3)Cc3cc[nH]n3)cc2[N+](=O)[O-])CC1 609441920 AJUYLATZCJBORU-UHFFFAOYSA-N 433.512 4.397 5 20 IIBD CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl 609783504 JFVFTSNZUJMGJC-UHFFFAOYSA-N 443.809 4.085 5 20 IIBD CCc1nc(C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)nn1-c1ccccc1 609783514 MKTQLMYHPXKSMS-UHFFFAOYSA-N 434.481 4.422 5 20 IIBD COc1cc(CCc2cc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)n[nH]2)cc(OC)c1 609827541 SBSVPELGZVEZNS-UHFFFAOYSA-N 436.424 4.119 5 20 IIBD CC(C)[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1Br)c1ccc(F)cc1 609961686 GOPBINOGXZDFRA-GOSISDBHSA-N 425.254 4.389 5 20 IIBD COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 609995889 OIIUAQUJAQMHQC-IFXJQAMLSA-N 447.919 4.279 5 20 IIBD CC(C)(C)OCc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 610624565 GGFSNNSLFWJHAK-MRXNPFEDSA-N 431.514 4.215 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1cnn(Cc2ccc(Cl)cc2)c1 610908336 JEHZLKDUECBAKR-UHFFFAOYSA-N 437.843 4.059 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N2CCC(Oc3ccccc3Cl)CC2)c([N+](=O)[O-])c1 611089962 DDFJTWKSIUMPOW-AWEZNQCLSA-N 433.892 4.127 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3nc4ccccc4n3C3CC3)cc2)c(C)c1[N+](=O)[O-] 611111585 QRVODFPSDWKWRB-UHFFFAOYSA-N 430.468 4.393 5 20 IIBD CCN(CC)c1ccc(-c2nnc(Sc3ncnc4ccc([N+](=O)[O-])cc34)n2C)cc1 611702518 PFOGPCRPFIXSRY-UHFFFAOYSA-N 435.513 4.331 5 20 IIBD Cc1c(NC(=O)CCN(C2CC2)C2CCN(C(=O)OC(C)(C)C)CC2)cccc1[N+](=O)[O-] 725800311 IUXJQAVXNKHGDL-UHFFFAOYSA-N 446.548 4.096 5 20 IIBD CCn1cc(N=c2scc(-c3ccc(C)c([N+](=O)[O-])c3)n2Cc2ccnc(C)n2)cn1 726104102 WDQUGYNPIOYLAC-UHFFFAOYSA-N 435.513 4.029 5 20 IIBD CCOC(=O)c1oc2ccccc2c1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 727857620 ZMRPHLRKFBIENO-GFCCVEGCSA-N 446.843 4.255 5 20 IIBD CC(C)Sc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 728834938 GCRPPLIKQHRDOT-MRXNPFEDSA-N 429.542 4.423 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 729666457 RXZPGLOILMYSDQ-UHFFFAOYSA-N 427.866 4.396 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)c([N+](=O)[O-])c1 731276524 MTKVIRJDULMZEM-GKCIPKSASA-N 434.448 4.431 5 20 IIBD COC(=O)N(C)Cc1ccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 735253145 KFUXLHLOOIQBHX-UHFFFAOYSA-N 426.454 4.169 5 20 IIBD O=C(Nc1ccc(OCC2CCOCC2)cc1)c1ccc(Br)c([N+](=O)[O-])c1 736517511 QRXDCZVZVNODIS-UHFFFAOYSA-N 435.274 4.415 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCC(CN(C)C)CC3)cc2)c1 737685548 SRVUEYLGLGTWQL-UHFFFAOYSA-N 428.558 4.347 5 20 IIBD COc1cc(N2CCC(OC(=O)Cc3csc(-c4ccoc4)n3)CC2)ccc1[N+](=O)[O-] 739385423 QGXWZJSJPOBXCK-UHFFFAOYSA-N 443.481 4.075 5 20 IIBD Cc1c(COC(=O)c2ccc(S(=O)(=O)Cc3ccccc3)cc2)cccc1[N+](=O)[O-] 741362669 PXUVUPMEPHNEEA-UHFFFAOYSA-N 425.462 4.234 5 20 IIBD O=C1CCCN1C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 742411769 VJRLTUDCCRWSFN-INIZCTEOSA-N 438.362 4.297 5 20 IIBD O=C(Nc1ccccc1C(=O)NCc1nccn1C(F)F)c1ccc([N+](=O)[O-])cc1Cl 743967301 BOPUVEHYPPSFGK-UHFFFAOYSA-N 449.801 4.022 5 20 IIBD C[C@@H](OC(=O)CCOc1cccc([N+](=O)[O-])c1)c1nc(Cc2ccc(Cl)cc2)no1 744730762 HCQXZDRXMNXQKK-CYBMUJFWSA-N 431.832 4.295 5 20 IIBD C[C@H](OC(=O)c1c(N)cccc1Cl)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 745007634 SYOCOUQXZYFEMP-JTQLQIEISA-N 446.872 4.138 5 20 IIBD CCOc1ccccc1NC(=O)[C@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 745334650 VUZMLPSPXMYOET-HSZRJFAPSA-N 434.448 4.459 5 20 IIBD COc1ccc(NC(=O)COC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])c1 745350708 MZKGQZMZPPDQNI-CABCVRRESA-N 439.251 4.196 5 20 IIBD C[C@@H](CC(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cccc(F)c1 746085571 LRWPANKBMDHISY-RYUDHWBXSA-N 436.823 4.167 5 20 IIBD CC(C)(C)OC(=O)NC1(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCCCC1 746778614 NTWRHFQAQGTQRH-UHFFFAOYSA-N 429.420 4.362 5 20 IIBD Cc1ccc(C)n1C1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC1 748552288 GNOZEAQFGWCBRI-UHFFFAOYSA-N 431.436 4.148 5 20 IIBD Cc1nn(Cc2ccc(C(=O)OCc3ccn(-c4cccc(F)c4)n3)cc2)c(C)c1[N+](=O)[O-] 748865310 WQRZXKKYEFLNHI-UHFFFAOYSA-N 449.442 4.138 5 20 IIBD COc1ccccc1O[C@H](C)CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 749436137 LFJSAMXCMGBWTN-SNVBAGLBSA-N 443.681 4.217 5 20 IIBD Cc1c(Br)cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2F)cc1[N+](=O)[O-] 753433336 QWHVCRYXFAFJRV-UHFFFAOYSA-N 445.628 4.254 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)CNc1cccc(Cl)c1 753914740 AOPYXTAETYKQOP-UHFFFAOYSA-N 429.864 4.147 5 20 IIBD Cn1ccnc1[C@@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1cccc(F)c1 755024667 HESSLZMQMQEKNB-INIZCTEOSA-N 448.252 4.141 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)OCCC[C@@H]2CCCO2)cc1[N+](=O)[O-] 756063565 BHUNOCAFZUDBIQ-KRWDZBQOSA-N 426.469 4.008 5 20 IIBD Cc1sc(NC(=O)CN(C)C(=O)OCc2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 756667894 VXUJBNMMEVBTSO-UHFFFAOYSA-N 440.481 4.234 5 20 IIBD O=C(NCc1ccco1)Nc1ccc(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc1 757225648 RLJXJLYSHRKGAK-UHFFFAOYSA-N 443.847 4.485 5 20 IIBD O=C(Nc1ccccc1)c1ccc(C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 758674452 KZNDEEKEWSXRJD-UHFFFAOYSA-N 444.403 4.254 5 20 IIBD Cc1ccc(-n2nc(C)c(NC(=O)COC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)c2C)cc1 763714910 GEVQRLXPYPWXPS-UHFFFAOYSA-N 442.859 4.155 5 20 IIBD CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc([N+](=O)[O-])cc(C)c1F 764075497 LIFDSCNBZCBHGI-UHFFFAOYSA-N 428.247 4.450 5 20 IIBD CCN1C/C(=C\c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2nc3ccccc3c(C(=O)O)c2C1 766033204 IJGQGIAEHIMWOX-NTEUORMPSA-N 434.408 4.126 5 20 IIBD O=C(N[C@@H](c1cccc(F)c1)c1ccccn1)c1cc([N+](=O)[O-])ccc1Br 766563719 HXSCZLZODBURCC-SFHVURJKSA-N 430.233 4.411 5 20 IIBD CN(C)c1ccc(N(Cc2ccc3ccccc3n2)C(=O)CCn2cc([N+](=O)[O-])cn2)cc1 766591615 HTSZMEVBUBEUIX-UHFFFAOYSA-N 444.495 4.029 5 20 IIBD CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)c1cc(F)c([N+](=O)[O-])cc1F 769475961 ROMMNUVAHBWHNE-UHFFFAOYSA-N 436.802 4.228 5 20 IIBD Cn1c(COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)nnc1-c1ccc(Cl)cc1 770325758 KXZWWGRUTSKWEO-UHFFFAOYSA-N 441.875 4.001 5 20 IIBD Cc1cc2c(N3CCC[C@@H]3C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)ncnc2s1 770478507 ZKFIBLSBFQDWLB-QGZVFWFLSA-N 445.932 4.189 5 20 IIBD O=C(COC(=O)c1ccc(Br)c([N+](=O)[O-])c1)Nc1ccc(Cl)c(Cl)c1 771795834 LQNIQLKEMLCMNL-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD Cc1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 772270297 WFNKAWTXBRIUOP-RUCTVCJSSA-N 431.496 4.199 5 20 IIBD Cc1nc2ccccc2n1CC(=O)O[C@@H](c1ccc(Br)cc1)C(C)(C)[N+](=O)[O-] 774366709 DBZDKYNSKLTOFV-IBGZPJMESA-N 446.301 4.447 5 20 IIBD COc1ccc(Cn2cc(C(=O)O[C@H](c3cccnc3)c3ccccc3[N+](=O)[O-])cn2)cc1 776132026 HFYQKDDEZVTLOS-HSZRJFAPSA-N 444.447 4.190 5 20 IIBD COCCN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(Br)n1 776359742 PNZWATVLFYMBNJ-UHFFFAOYSA-N 448.195 4.064 5 20 IIBD CCOC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] 776418595 UZTOBZDBUZCNIZ-IBGZPJMESA-N 426.856 4.306 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2coc(-c3ccccc3Cl)n2)cccc1[N+](=O)[O-] 776438112 NOCRZBGDSNLCDN-GFCCVEGCSA-N 429.816 4.396 5 20 IIBD O=[N+]([O-])c1ccn(C2CCN(C(=S)Nc3ccc(OC(F)F)c(Cl)c3)CC2)n1 782384369 COQXVCOVTRDCFN-UHFFFAOYSA-N 431.852 4.080 5 20 IIBD CCOCN(C(=O)COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1c(C)cccc1CC 782573039 IGTJUYMKHHNECI-UHFFFAOYSA-N 439.468 4.131 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)C[C@H]21 784028027 AVLDZYXQCWPLDD-IOMROCGXSA-N 441.532 4.041 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccccc2-c2nccs2)c(Br)c1 784438356 GYEFNSLSVQAMRW-UHFFFAOYSA-N 441.284 4.249 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N[C@H]2c3ccccc3CC[C@H]2C)cc1[N+](=O)[O-] 785064503 YCAKEULCRULAEU-ADLMAVQZSA-N 446.301 4.044 5 20 IIBD C[C@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccccc1Br 785950351 XSEQZXBCKRNQOC-JTQLQIEISA-N 441.665 4.124 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1 786887988 BMRYDQWFQUIICJ-JOCHJYFZSA-N 447.491 4.263 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1cccc(Cl)c1N1CCOCC1 790701576 KXJBVWOQCSZQSB-UHFFFAOYSA-N 428.247 4.059 5 20 IIBD CC(C)(C)OC(=O)Nc1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1F 791868682 DHOQINMXWOXCLK-UHFFFAOYSA-N 435.364 4.346 5 20 IIBD CCc1[nH]nc(C(=O)Nc2cc(C)c(F)cc2C(=O)N[C@H](C)c2ccccc2)c1[N+](=O)[O-] 793881495 LNKOSHJIZFTBAJ-CYBMUJFWSA-N 439.447 4.071 5 20 IIBD Cc1cc(NC(=O)c2cccnc2)ccc1OC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 799468768 ORHNVWQZYABLRA-UHFFFAOYSA-N 427.363 4.248 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 801089052 ANBIFRHHCFDORX-UHFFFAOYSA-N 435.436 4.397 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 801981504 WEVQVNVMNNTAGD-OAHLLOKOSA-N 426.217 4.195 5 20 IIBD C[C@@H](OC(=O)[C@@H](O)c1cccc(C(F)(F)F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 803809353 XSQDOYDXENCCCZ-BMIGLBTASA-N 437.330 4.001 5 20 IIBD CC[C@H](NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)c1nc(C)cs1 806741643 LTKKPUMEDHSFFL-AWEZNQCLSA-N 439.335 4.341 5 20 IIBD Cc1cc(O)nc2cc(C(=O)Nc3ccc([N+](=O)[O-])c(I)c3)ccc12 808778588 AOWLAQNFZSJJBJ-UHFFFAOYSA-N 449.204 4.014 5 20 IIBD CC(=O)N(c1ccc(C)cc1)c1nc(CN(CCN)c2ccc([N+](=O)[O-])cc2)cs1 809735168 SWBXXYPXYDEHJT-UHFFFAOYSA-N 425.514 4.010 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N(Cc2ccccc2)C[C@H]2CCCO2)c(Cl)cc1Cl 809810807 NVOGDWQFOFKKRH-CQSZACIVSA-N 445.324 4.272 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811219640 SDETWUGUVWWCTI-UHFFFAOYSA-N 438.421 4.325 5 20 IIBD CC[C@H]1[C@@H](C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCN1C(=O)OC(C)(C)C 811302592 QEWNMPLHHMPHGA-ROUUACIJSA-N 445.472 4.329 5 20 IIBD COCCn1c(Cn2ccc3ccccc32)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 812100113 AQZVTCZSYCKUHX-UHFFFAOYSA-N 448.527 4.251 5 20 IIBD O=C(OCc1nnc(-c2ccccc2Br)o1)c1cc2cccc([N+](=O)[O-])c2[nH]1 917331997 VDGRXQUJGMBDFA-UHFFFAOYSA-N 443.213 4.246 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccc(N2CCOC2=O)cc1 920952364 LZUXWHUNHNKWAR-INIZCTEOSA-N 438.484 4.033 5 20 IIBD C[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(N2CCOC2=O)cc1 920976356 DRDFPSUHGIVTST-LLVKDONJSA-N 436.371 4.036 5 20 IIBD COc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)c2ccc(OC)cc2OC)cc1 1251768183 RZADFTWFFJGOMG-JOCHJYFZSA-N 440.427 4.279 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(-c2nnc(-c3ccc(Cl)cc3OC)o2)cc1OC 1258076108 KRDVNLIQCBGAMM-UHFFFAOYSA-N 435.820 4.008 5 20 IIBD CCN(CC)C(=O)C1=C(C)N(c2ccccc2C)C(=S)N[C@H]1c1ccc([N+](=O)[O-])cc1 1318231578 SYOKADLUFDHRIT-NRFANRHFSA-N 438.553 4.481 5 20 IIBD O=C1Nc2ccccc2[C@H]1C1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 1318772069 KMMHGMDUDXNDEZ-JOCHJYFZSA-N 436.512 4.075 5 20 IIBD O=C1[C@@H](NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CCCN1Cc1ccccn1 1323785857 OFSWNYLBFCVERO-IBGZPJMESA-N 440.887 4.184 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC(n3cc(Cl)cn3)CC2)CC1 1342036203 NFUOCTXLDFNBER-UHFFFAOYSA-N 431.924 4.158 5 20 IIBD COc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2N)c(C(F)(F)F)c1 1347732595 CWMUPHAPERLCRI-UHFFFAOYSA-N 434.168 4.219 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)NC1(c2ccc(NC(=O)C(C)(F)F)cc2)CCC1 1787933785 BLMYAWONQJQHGJ-UHFFFAOYSA-N 433.411 4.012 5 20 IIBD Cc1c[nH]cc1C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc([N+](=O)[O-])o3)CCC2)cc1 1788727753 OSHQOQZBUIYKFH-VQHVLOKHSA-N 434.452 4.285 5 20 IIBD CCCC(=O)NC1(c2ccc(NC(=O)Cc3ccc(OC)cc3[N+](=O)[O-])cc2)CCC1 1790571328 QCOVBTJZZFKMOL-UHFFFAOYSA-N 425.485 4.080 5 20 IIBD Cc1cscc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CSc1ccccc1[N+](=O)[O-] 1802182558 ZUQXHHVXHAFZSK-MUJYYYPQSA-N 445.566 4.009 5 20 IIBD C[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1)c1ccccc1 1832889579 PGXWEEDDEWKRGI-PXNSSMCTSA-N 439.512 4.225 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC2(CCCN2C(=O)c2sccc2F)C1 1841727421 HKQQCIKCAABCKF-UHFFFAOYSA-N 445.497 4.141 5 20 IIBD C[C@H](OC(=O)CCC(=O)c1cccs1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 10531547 PECODMPDXUQSEY-JTQLQIEISA-N 444.387 4.208 5 20 IIBD CC(C)OCc1c(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12 11242402 YGCLCWPHRKHOCD-AWEZNQCLSA-N 426.425 4.450 5 20 IIBD CN(C(=O)COC(=O)c1ccccc1SCc1ccco1)c1ccc([N+](=O)[O-])cc1 11642684 OLRNOPMQOOAWCN-UHFFFAOYSA-N 426.450 4.300 5 20 IIBD Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 13997885 OZADHVNUPVMIQO-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CSc1ccc([N+](=O)[O-])cc1 15001070 RIFYYHMDPSNQDZ-UHFFFAOYSA-N 441.431 4.193 5 20 IIBD Cc1ccc(C)c(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 15269676 KTOGGNWQRUSSPQ-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD CC(C)N(CCNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(C)C 16600123 RZQJXQPEWUANAA-UHFFFAOYSA-N 449.555 4.225 5 20 IIBD C[C@H](OC(=O)Cc1ccc(Br)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 17531122 ZHJLHRLXUBPFBS-NSHDSACASA-N 432.230 4.254 5 20 IIBD CCOc1cc(C(=O)OCc2cc(=O)oc3cc(C)c(C)cc23)c([N+](=O)[O-])cc1OC 19473669 AGHMIBLNRQXWTE-UHFFFAOYSA-N 427.409 4.082 5 20 IIBD Cc1cccc(NC(=O)[C@@H](C)OC(=O)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C 21752745 BIGJFJWVOLOJBX-CYBMUJFWSA-N 439.390 4.213 5 20 IIBD CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2cc3ccccc3cc2c1=O 22177823 YYMRRJAJAKIIAN-UHFFFAOYSA-N 433.489 4.029 5 20 IIBD COCc1nc2ccccc2c(C)c1C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 22871993 AIIGBEJXSKAWNL-UHFFFAOYSA-N 443.843 4.047 5 20 IIBD COc1ccccc1[C@H](C)NC(=O)[C@@H](C)OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 25374960 ONDOCYSDPMSIMP-QWHCGFSZSA-N 428.466 4.241 5 20 IIBD Cc1ccccc1NC(=O)[C@@H](C)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 25389894 YGTWLOPEWGULPM-OAHLLOKOSA-N 436.434 4.071 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)Nc1ccc(F)cc1F 28606609 WUZUVTUAPYKBGB-UHFFFAOYSA-N 441.390 4.281 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)Cc3ccc4c(c3)OCO4)cc2[N+](=O)[O-])C1 60683445 CYDPFVMIBPMVBX-IYBDPMFKSA-N 425.485 4.078 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])ccc1Cl 61353149 FNSGZEYVUFGHBV-UHFFFAOYSA-N 432.738 4.228 5 20 IIBD CS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])c1 62266540 DFDGIESGPGVOOO-KRWDZBQOSA-N 443.308 4.282 5 20 IIBD COCCCOc1ccccc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 65124838 CZMHCWHAJULTTJ-UHFFFAOYSA-N 427.501 4.499 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1[N+](=O)[O-] 105973357 DHXVMXTUIWEGAD-UHFFFAOYSA-N 443.525 4.101 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccc(-n3cncn3)c(F)c2)cc1[N+](=O)[O-])c1ccccn1 108884747 QBAMXVLAFMVMLL-AWEZNQCLSA-N 447.430 4.135 5 20 IIBD Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 110763509 BCEQKDBOSBXZJX-IBGZPJMESA-N 435.440 4.494 5 20 IIBD O=C(NC1CCCCC1)NC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 115737952 SIFFRKFTNCFRPQ-UHFFFAOYSA-N 430.530 4.046 5 20 IIBD O=C(c1cccc2ccccc12)N1CCC[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 247449807 ZLQHLRRKDAUGIA-LJQANCHMSA-N 429.476 4.190 5 20 IIBD O=[N+]([O-])c1c(F)cccc1NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 301123407 ZPVHTIDTUBGAJB-UHFFFAOYSA-N 425.439 4.207 5 20 IIBD O=[N+]([O-])c1c(N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)nc2sccn12 301151585 DJQUHKBFGFFMFH-GFCCVEGCSA-N 430.877 4.391 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCC(c2nc3cccc(C)c3o2)CC1 302524788 ZMMYINSCZBKZNG-UHFFFAOYSA-N 440.412 4.123 5 20 IIBD Cc1cc(C(=O)NC2CCN(c3cc(C)c([N+](=O)[O-])cc3Br)CC2)c(C)o1 302709705 WUFDJIXUWKTUIS-UHFFFAOYSA-N 436.306 4.274 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 302983128 ICDHHZVUOICZON-UHFFFAOYSA-N 431.492 4.151 5 20 IIBD Cc1ccc(Br)cc1C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 303936920 RUKRFQZTPCWEGY-QGZVFWFLSA-N 449.301 4.479 5 20 IIBD CN(C)CCCC1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 426913259 DBGQGBVZMCYTJP-UHFFFAOYSA-N 425.529 4.368 5 20 IIBD CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc([N+](=O)[O-])cc1OC 427113145 HGSIYPBVVSIJTM-UHFFFAOYSA-N 430.848 4.359 5 20 IIBD Cc1nc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)ccc1I 427910367 XFXAPIAIZMHVNU-JTQLQIEISA-N 443.266 4.022 5 20 IIBD C[C@H](NC(=O)Nc1ccnn1Cc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 429585054 HVAATJVIESHNQR-ZDUSSCGKSA-N 444.289 4.485 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CCSC4(CCCCC4)C3)cc2)c(C)c1[N+](=O)[O-] 431422539 OONDTJQGOOSMLM-UHFFFAOYSA-N 428.558 4.348 5 20 IIBD CC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 432049494 NFEOIDAAEZMYRM-UHFFFAOYSA-N 433.667 4.014 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1ccc(SC)c([N+](=O)[O-])c1)c1ccc(Cl)c(F)c1 433539323 MKLRJFLNHZJRGS-CQSZACIVSA-N 426.853 4.143 5 20 IIBD Cc1ccc(C(=O)Nc2ccccc2)cc1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 433701898 IOAWJAOVQHLXPO-OAQYLSRUSA-N 430.464 4.373 5 20 IIBD COCC1(C)CN(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)C1 434137626 MGZURCAQTPIVCC-UHFFFAOYSA-N 437.855 4.358 5 20 IIBD CCOc1cc(C(=O)Nc2cc(F)c(F)cc2Br)c([N+](=O)[O-])cc1OC 435251034 WDBOJNNWSMUWIX-UHFFFAOYSA-N 431.189 4.295 5 20 IIBD Cc1c(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cnn1-c1ccccc1F 435370963 KPGVWSOIKPTOJF-UHFFFAOYSA-N 426.451 4.427 5 20 IIBD O=C(Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 435370975 KRYAVYPHNDRVGO-FQEVSTJZSA-N 446.511 4.065 5 20 IIBD CC(C)c1nc2ccc(NC(=O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc2s1 437044592 IJHYFTCYWRXVHK-UHFFFAOYSA-N 438.509 4.458 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3C[C@@H](C)OC[C@@H]3c3ccccc3)cc2)c(C)c1[N+](=O)[O-] 437382190 CVYCHLHKDSCEIW-OPAMFIHVSA-N 434.496 4.059 5 20 IIBD O=[N+]([O-])c1ccc(NC[C@@H]2CCC[C@H](C(F)(F)F)C2)c(S(=O)(=O)N2CCCC2)c1 439552179 PRKMCDANQSCNIV-KGLIPLIRSA-N 435.468 4.160 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 439897536 HOMZOSHSMYHTNZ-UHFFFAOYSA-N 430.436 4.015 5 20 IIBD CCOc1ccc(C2(CNC(=O)Nc3cc([N+](=O)[O-])ccc3OCC)CCOCC2)cc1 439906829 ZQISRQTVVPEGER-UHFFFAOYSA-N 443.500 4.262 5 20 IIBD COc1cc(C(=O)Nc2ccc(Oc3nccc(C)n3)cc2)c([N+](=O)[O-])cc1OC(F)F 440827234 XEPSKAOGIGGCBM-UHFFFAOYSA-N 446.366 4.348 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)c1ccc(-c2ccccc2OC)cc1 442161111 ZEUDYJOBYDXYSQ-OAHLLOKOSA-N 449.463 4.095 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)N[C@H](c2c[nH]c3ccccc23)C(F)(F)F)c1[N+](=O)[O-] 443455589 OBADKVDJENMCHS-QGZVFWFLSA-N 427.404 4.275 5 20 IIBD COc1cc(Cc2noc(-c3cccc(OCC(F)(F)F)c3)n2)c([N+](=O)[O-])c(OC)c1 445823141 ATUMOEUQNQYIRL-UHFFFAOYSA-N 439.346 4.194 5 20 IIBD CCOC(=O)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)c2ccccc21 446250883 YIUIDUOCIHZENA-AWEZNQCLSA-N 433.258 4.055 5 20 IIBD COC(=O)[C@@](C)(CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(F)cc1 447084805 GJYFUZHEEBDZGL-NRFANRHFSA-N 429.473 4.078 5 20 IIBD Cn1c(S[C@H]2CCN(c3c(F)cccc3F)C2=O)nc2cc3ccccc3cc2c1=O 447346195 BZPGATAGXWAHPW-IBGZPJMESA-N 437.471 4.263 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(N3CCc4ccc(Cl)cc4C3)n2C[C@H]2CCOC2)cc1 461642892 XQOYWYLZCFAOLS-OAHLLOKOSA-N 439.903 4.106 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1ccc(-c2ccncc2)cc1 462343179 QZZYEOPBOBRBTF-UHFFFAOYSA-N 438.292 4.442 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCc1nc(C)c(-c2ccc(Cl)cc2)o1 464049524 QBLSVTXLLSXUEO-UHFFFAOYSA-N 442.859 4.083 5 20 IIBD COc1ccc(NC(=O)c2cccc(NCc3cc(OC)c(F)cc3[N+](=O)[O-])c2)cn1 464096184 MSZVFRUKIXNYSV-UHFFFAOYSA-N 426.404 4.011 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCNC(=O)[C@H]2c2cccs2)cc1[N+](=O)[O-] 464340822 UMEHLLDXXYAHCW-GOSISDBHSA-N 433.555 4.108 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 466159510 URBSURZKMBWJAN-SFHVURJKSA-N 442.274 4.366 5 20 IIBD CSc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 466659953 LDUKSQGHRZPATC-QRWLVFNGSA-N 427.526 4.107 5 20 IIBD CC[C@@H](Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 467005366 JXHUJJYPUZRRIN-GFCCVEGCSA-N 444.435 4.106 5 20 IIBD Cc1ccc(-c2csc(NC(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C(F)(F)F)n2)cc1[N+](=O)[O-] 467848852 FBYCWOYUXMYIHC-TUVASFSCSA-N 427.404 4.321 5 20 IIBD Cc1ccc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(-n2cc(Cl)cn2)n1 468933543 ITNWCAZGTOUOOL-UHFFFAOYSA-N 442.907 4.258 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@H]1CCCC[C@H]1n1cccn1 470685167 XLFZFSKGDQMSQX-UONOGXRCSA-N 428.436 4.202 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(N[C@H]2CCCO[C@H]2c2ccc(C)cc2)c([N+](=O)[O-])c1 470880560 RAXCJWOSJDGIDB-UNMCSNQZSA-N 447.557 4.266 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2cc([C@H]3CCCOC3)[nH]n2)cc1[N+](=O)[O-])c1ccccn1 473406354 BSTMPQMJEZFIFO-HOCLYGCPSA-N 436.472 4.032 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NCc1c(F)cccc1OC(F)F 474757731 OGFLHDKRKCNEAI-UHFFFAOYSA-N 437.296 4.354 5 20 IIBD O=C(Nc1cccc(-n2cnnc2O)c1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 474911541 PHAWGQYBTVHZEE-UHFFFAOYSA-N 433.449 4.285 5 20 IIBD CC(C)N(C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 479084339 ITFCEYDLAFVYBT-UHFFFAOYSA-N 441.431 4.246 5 20 IIBD O=C(Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1ccc(Br)cc1[N+](=O)[O-] 479371328 MVFXCPGCXLYBLS-UHFFFAOYSA-N 444.285 4.299 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 480195424 HKPDCWKCQJZNOP-BXKDBHETSA-N 448.829 4.269 5 20 IIBD CCS(=O)(=O)c1ccc(CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)s1 480504946 KLQYRCPCGPHHMD-UHFFFAOYSA-N 433.511 4.036 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC3CCN(C4CCCC4)CC3)cc2[N+](=O)[O-])C1 482639952 SRERPYGIAHKVAA-QZTJIDSGSA-N 428.577 4.214 5 20 IIBD CN1C(=O)C[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]1c1ccc(F)c(F)c1 482691631 LVCPIKWLOPCRLS-UYAOXDASSA-N 444.463 4.058 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 483599148 ZMSJEAPMQBNOHH-KNQAVFIVSA-N 427.932 4.304 5 20 IIBD O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 484530082 DZFWEIWEHAZNGX-OAQYLSRUSA-N 439.903 4.001 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@@]2(CCCOC2)O1 484874010 WDTXBOGPCXVKSP-IVZQSRNASA-N 446.887 4.451 5 20 IIBD CSc1cccc(C(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)c1[N+](=O)[O-] 486232033 TXJRPQMDWFNWJM-UHFFFAOYSA-N 426.454 4.408 5 20 IIBD CC(C)(C)CNC(=O)c1ccc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 486719459 XCYQOLJIPHSVBZ-UHFFFAOYSA-N 437.418 4.320 5 20 IIBD O=C(CNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)Nc1ccc(F)cc1 487321335 RBNGIVKITXYPTA-UHFFFAOYSA-N 425.441 4.254 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1CSc1nnc(N2CCOCC2)n1Cc1ccccc1 487743402 VFUBRORHFZQZGM-UHFFFAOYSA-N 445.932 4.017 5 20 IIBD CCN(Cc1cccc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1)C(C)=O 487885957 LRCSGLXJNGXIMF-UHFFFAOYSA-N 438.406 4.304 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 488445141 IXUXSGLWRGSGCJ-CQSZACIVSA-N 440.905 4.081 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)nnc1-c1ccc([N+](=O)[O-])cc1 489447216 PHQIYKYPIIMOPW-NSHDSACASA-N 433.440 4.271 5 20 IIBD COc1cccc(Cn2ccc3ccc(NC(=O)CCn4cc([N+](=O)[O-])nc4C)cc32)c1 490360463 CYSLLOGOICUIFA-UHFFFAOYSA-N 433.468 4.140 5 20 IIBD COc1cc(N[C@H]2CCCN(C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2)cc(OC)c1 494447100 QDBFBDMGTMHCQQ-WMZOPIPTSA-N 442.516 4.268 5 20 IIBD COC(=O)[C@@H]1C[C@@H](OC)CCN1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 497245399 DZVLHRLEGWVMIC-YJBOKZPZSA-N 434.876 4.193 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2ccc(C(C)=O)c(C)n2)cc1 497499999 LSHUYQVZGXBJAV-UHFFFAOYSA-N 435.436 4.232 5 20 IIBD C[C@@H](CCc1ccc(Br)cc1)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 500708034 BSFJFEMJZAACQA-AWEZNQCLSA-N 430.302 4.450 5 20 IIBD CC[C@H](Cc1ccccc1Br)N(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 505986272 GOBCXSPGSXQJMZ-CYBMUJFWSA-N 431.290 4.327 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)cc1OC 508235497 JKPWARLXCYEPQY-HNNXBMFYSA-N 438.484 4.207 5 20 IIBD Cc1cc(OCC(=O)Nc2c(-c3ccc(Br)cc3)ncn2C)ccc1[N+](=O)[O-] 508341619 NKUJQLGVUYCPSX-UHFFFAOYSA-N 445.273 4.084 5 20 IIBD CCN(Cc1cccc(Br)c1)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 512278740 KQSLLKGVTOHVPM-UHFFFAOYSA-N 429.274 4.205 5 20 IIBD CCOc1ccc([C@@H](C)NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1OC 515191319 CHXAVBAZCCLLQS-MRXNPFEDSA-N 427.501 4.096 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2c2nc(Cc3ccc(F)c(F)c3)no2)ccc1[N+](=O)[O-] 517261738 CSESYTUQTWRUHL-GOSISDBHSA-N 428.395 4.133 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@@H](C)COCC(F)(F)F)cc2[N+](=O)[O-])n1 520857570 GZSIBIURHSHWKW-VIFPVBQESA-N 435.449 4.208 5 20 IIBD O=C1[C@@H](Sc2nnc(-c3ccc(OC(F)F)cc3)o2)CCN1c1cccc([N+](=O)[O-])c1 521837447 JSYBBRZHOAEZEO-HNNXBMFYSA-N 448.407 4.144 5 20 IIBD CC(C)(C)c1csc(C2CCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)CC2)n1 522260973 GCIHSTDHVGSBCE-UHFFFAOYSA-N 431.514 4.140 5 20 IIBD CCc1nc(CCNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])cs1 523296051 UXEBLPLOOKUFJJ-UHFFFAOYSA-N 432.527 4.069 5 20 IIBD COc1ccc(I)c(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 523506131 CNKDTDAGCPEQEU-UHFFFAOYSA-N 440.237 4.124 5 20 IIBD CCc1ccc([C@@H]2CCCCCN2C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])o1 523526829 WIBZOUQVHTZIKJ-INIZCTEOSA-N 433.892 4.277 5 20 IIBD O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)Nc1cccc(CCCc2ccccc2)c1 524265797 BCXJIINJITWSAP-UHFFFAOYSA-N 446.507 4.208 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C 534215549 YOIBXYMJDBSEEF-RDJZCZTQSA-N 428.510 4.268 5 20 IIBD CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCN(c2ccccc2Cl)C1=O 535566782 LQUBLSPZYFZYRX-LJQANCHMSA-N 426.860 4.141 5 20 IIBD Cc1nc2ccccc2n1C[C@@H]1CCCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 535962230 CLKPQAVTIMPYCL-INIZCTEOSA-N 427.892 4.009 5 20 IIBD O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])cc1Br 536942169 ZUGXQVMGBGMVFT-HZPDHXFCSA-N 443.656 4.410 5 20 IIBD Cc1ccc([C@H](C)NCC(=O)Nc2ccnn2Cc2ccccc2Cl)cc1[N+](=O)[O-] 538277555 VBTQNWFLEPMTTF-HNNXBMFYSA-N 427.892 4.091 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)c2ccc(C)s2)CC1 538582481 ICKKYWLFSAKJSY-UHFFFAOYSA-N 447.582 4.455 5 20 IIBD COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)ccc1N1CCCC1=O 539297748 MDHVHWXXHROXGG-UHFFFAOYSA-N 429.498 4.483 5 20 IIBD C[C@@H](C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F 541597838 MQWHMXJFEYXXDG-VQIMIIECSA-N 437.475 4.120 5 20 IIBD CCN(C(=O)N=c1cc[nH]cc1[N+](=O)[O-])[C@@H]1CCSc2ccc(Br)cc21 542839394 GSBPDIRMKAKWRD-CQSZACIVSA-N 437.319 4.265 5 20 IIBD CCc1ccc([C@H](Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)c2ccc([N+](=O)[O-])cc2)o1 543428132 LACPBZUOYDYPQJ-ISKFKSNPSA-N 448.523 4.401 5 20 IIBD Cc1nc(-c2ccccc2Br)sc1[C@H](C)NCCn1ccc([N+](=O)[O-])n1 544461644 PAVZIUXVNHOCQY-NSHDSACASA-N 436.335 4.337 5 20 IIBD C[C@H](C(=O)NCCCOC1CCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F 544505517 VQVXCCNBGFTJAQ-SFHVURJKSA-N 443.519 4.025 5 20 IIBD CS(=O)(=O)c1ccc(NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)cn1 545349367 LJGYYRHBGCLDLQ-UHFFFAOYSA-N 433.873 4.451 5 20 IIBD C[C@H](Nc1ccc(-c2nc(CC(=O)OC(C)(C)C)no2)cc1[N+](=O)[O-])c1ccccn1 547305736 PBMQALVRUDFYEH-ZDUSSCGKSA-N 425.445 4.097 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(Cc1ccccn1)c1cccnc1 551485592 IEUJMDNMMCFLHH-UHFFFAOYSA-N 427.258 4.303 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)cc1[N+](=O)[O-] 551745741 PUJXMNLUKWLUPK-UZLBHIALSA-N 439.512 4.115 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1OCCc2sccc21 554205691 RCVPKOFHAKBMTA-MGPLVRAMSA-N 425.304 4.160 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cc1 557441903 LCOOYIYFCNHYFK-HYFFOGBASA-N 439.512 4.198 5 20 IIBD COc1ccc(-c2ccc(CNCc3cc(F)ccc3N3CCOCC3)o2)c([N+](=O)[O-])c1 557810256 FPMUJCYZFQADSX-UHFFFAOYSA-N 441.459 4.129 5 20 IIBD C[C@]1(c2ccccc2)CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCOC2)C1 559241751 UPVVVKFLCQEBFN-DFBJGRDBSA-N 447.539 4.448 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CCc1ccc(C)cc1)Cc1ccco1 579899117 GSQFGMSYRZZTPW-UHFFFAOYSA-N 435.480 4.269 5 20 IIBD COc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C(C)C)cc1 585756807 YBZOZVKUXBEWNO-FQEVSTJZSA-N 427.501 4.353 5 20 IIBD CCOC(=O)c1c(NC(=O)CNc2cc([N+](=O)[O-])c(C)cc2C)sc(C(C)=O)c1C 603472767 PNDSJHFWCGTZKN-UHFFFAOYSA-N 433.486 4.011 5 20 IIBD CCCCCn1c(=O)c2ccccc2n2c(SCCc3ccc([N+](=O)[O-])cc3)nnc12 603722159 PCNWUHVYEUBCHG-UHFFFAOYSA-N 437.525 4.477 5 20 IIBD CC1CCN(c2ccc(C(=O)NCc3cccc(Cn4cccn4)c3)cc2[N+](=O)[O-])CC1 604192597 ZCZSAKLJEQHXDT-UHFFFAOYSA-N 433.512 4.006 5 20 IIBD CC1CCN(c2nnc(SCCOc3ccc([N+](=O)[O-])cc3)n2Cc2ccco2)CC1 604468926 XULOXIFTJLVAHK-UHFFFAOYSA-N 443.529 4.235 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1cnc(C2CC2)nc1 609127448 OIKTXKUMPSTYPQ-UHFFFAOYSA-N 440.463 4.296 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)cc1 609198391 MHAQQHJRIMTWPD-GOSISDBHSA-N 447.513 4.354 5 20 IIBD Cc1cccc(COc2ccc(NS(=O)(=O)c3ccc(O)c([N+](=O)[O-])c3)c(C)c2)c1 609231663 IBYSNNYWEKXGPU-UHFFFAOYSA-N 428.466 4.297 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CC[C@H](N4CCCCC4)C3)cc2[N+](=O)[O-])n1 609348064 LGJFDRRQKKASJY-INIZCTEOSA-N 432.571 4.211 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CCSC[C@@H]3c3ccccc3)cc2)c(C)c1[N+](=O)[O-] 609652197 ALQODZHOONLDGK-OAQYLSRUSA-N 436.537 4.387 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(Cc1cc(F)ccc1F)c1ccccc1 609740556 MEEJRYVSRRSVLA-UHFFFAOYSA-N 434.420 4.277 5 20 IIBD NC(=O)c1ccc(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)cc1 609796615 FEAPLVOYHKGUQS-UHFFFAOYSA-N 443.818 4.209 5 20 IIBD COc1cc(OC)c(NC(=O)COc2ccc([N+](=O)[O-])cc2Br)cc1Cl 609962747 WZIXZJXWKXKXAO-UHFFFAOYSA-N 445.653 4.045 5 20 IIBD COc1ccc(OCCN2CCc3[nH]c4ccc(Br)cc4c3C2)c([N+](=O)[O-])c1 610390517 BSOTYGXVIBUBEJ-UHFFFAOYSA-N 446.301 4.284 5 20 IIBD Cn1ccnc1[C@@H](NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1cccc([N+](=O)[O-])c1 611560440 GTSGOBKIBCNWOE-KKSFZXQISA-N 425.920 4.187 5 20 IIBD O=C(COC(=O)c1csc(-c2ccccc2Cl)n1)Nc1ccc(F)c([N+](=O)[O-])c1 727563619 PQSTVOTYFXWRAM-UHFFFAOYSA-N 435.820 4.306 5 20 IIBD O=C(OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 727926239 HXDFIYZCBBQQSO-HUUCEWRRSA-N 435.263 4.138 5 20 IIBD COc1cc(CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C2CC2)ccc1OC(F)F 728212290 GMUDNIJAXUDEKG-UHFFFAOYSA-N 435.427 4.076 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cccc(C(=O)OCc2ccccc2)c1 729985229 BKFWKFUVPUHSAV-UHFFFAOYSA-N 435.436 4.011 5 20 IIBD COc1ccnc(COC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 730294798 HTGNDIZHOBLQRY-UHFFFAOYSA-N 426.812 4.240 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 730684726 WJNIRMFPJMFYHP-LLVKDONJSA-N 430.873 4.188 5 20 IIBD Cc1csc(-c2cccc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c2)n1 740406634 DCVGVMPMHNLTSD-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Br)Nc1ccccc1C(F)(F)F 740411391 ZPXLIDAVJIFBBD-UHFFFAOYSA-N 447.163 4.172 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(CC1CCC1)[C@H](C)c1ccccc1 740850709 VKQKEXUNEAASNV-MRXNPFEDSA-N 426.469 4.185 5 20 IIBD C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 742615935 ZBMGWMKTTCOGFR-STQMWFEESA-N 445.438 4.379 5 20 IIBD O=C(NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 744005036 LYXRKMUKQVPMSS-UHFFFAOYSA-N 443.186 4.039 5 20 IIBD CCOc1cc(N2CCC(OC(=O)Cc3cc(Cl)ccc3OC)CC2)ccc1[N+](=O)[O-] 744200114 CADUPSHGYMSELQ-UHFFFAOYSA-N 448.903 4.410 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@@H](C)Oc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] 744203409 IQTZJQSHJSJWCP-OAHLLOKOSA-N 432.448 4.112 5 20 IIBD CCC(CC)(CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)NC(=O)OC(C)(C)C 745972501 SYCCGNUVGZSFGL-UHFFFAOYSA-N 434.537 4.326 5 20 IIBD C[C@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 747961017 CQBNMJRASZSNSB-ZVZLPEGASA-N 443.525 4.205 5 20 IIBD COc1cc(CCc2cc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])n[nH]2)cc(OC)c1 750000207 CHZNSIWQIINJID-UHFFFAOYSA-N 430.848 4.026 5 20 IIBD COc1cc(Br)ccc1CCCNC(=O)c1cc(F)c([N+](=O)[O-])cc1F 753194655 SQLRYYHKVDHXND-UHFFFAOYSA-N 429.217 4.007 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccc(Br)cc1[N+](=O)[O-] 755910933 OWYLPHQGNYWMKG-UHFFFAOYSA-N 426.248 4.305 5 20 IIBD COc1cc(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)ccc1OCC(F)(F)F 756922694 VBMKEAYJDKJHTI-UHFFFAOYSA-N 447.797 4.197 5 20 IIBD C[C@H]1Cc2cc(-c3ccc(CNC(=O)COc4ccc(C=O)cc4[N+](=O)[O-])cc3)ccc2O1 757232697 QVZIVMJUSKUSQA-INIZCTEOSA-N 446.459 4.093 5 20 IIBD Cc1c(COC(C)(C)C)cccc1NC(=O)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 757271026 FUBLFZGLZWWYEY-UHFFFAOYSA-N 433.892 4.127 5 20 IIBD O=C(c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CCCC12CCCCC2 760082271 RZRBMXFRLFXAIE-UHFFFAOYSA-N 444.509 4.301 5 20 IIBD COc1cccc(CC2CCN(C(=O)c3cccc([N+](=O)[O-])c3Br)CC2)c1 760866203 IFGZZHZEOJHQDI-UHFFFAOYSA-N 433.302 4.461 5 20 IIBD CCn1c2ccccc2c2cc(NC(=O)[C@H](C)OC(=O)c3ccc([N+](=O)[O-])n3C)ccc21 761056903 WZPCMCMEJLUZNQ-AWEZNQCLSA-N 434.452 4.245 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CC(=O)Nc3cc(Br)ccc32)cc1[N+](=O)[O-] 761797162 VKGMJZACTWYVIZ-UHFFFAOYSA-N 432.274 4.254 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@@H](CCO)c3cccs3)cc2[N+](=O)[O-])n1 761934945 QCGLVZMADLCSOK-ZDUSSCGKSA-N 435.552 4.426 5 20 IIBD CN1CC[C@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 762736322 TYNXYGMDNWQVCZ-KZULUSFZSA-N 426.275 4.464 5 20 IIBD O=C(O[C@@H]1CCO[C@H]([C@@H]2CCOC2)C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 763107303 ZXBAXHCCOUFTJK-MDYRTPRTSA-N 429.494 4.487 5 20 IIBD O=C(Nc1nc(-c2ccc(-n3cccn3)cc2)cs1)c1cc(F)c([N+](=O)[O-])cc1F 763467901 IRKPNKMJXKOUSX-UHFFFAOYSA-N 427.392 4.435 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@@H](C)c1cc(C)ccc1F 764712765 GQNPPPATTMBQPW-LIRRHRJNSA-N 434.489 4.198 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC(=O)Nc1ccc(N2CCCC2)cc1C 765525072 NCZJCWUVPBPPAP-LJQANCHMSA-N 439.512 4.254 5 20 IIBD COc1cccc(C(=O)Oc2cccc(C(=O)N3CCc4ccccc4C3)c2)c1[N+](=O)[O-] 766578238 STOXTKPLEXCWAN-UHFFFAOYSA-N 432.432 4.021 5 20 IIBD CC(C)(C)OC(=O)N1CCC(CS[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 767219769 RJCJRJJVGHVSHA-SFHVURJKSA-N 435.546 4.080 5 20 IIBD CC[C@@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C 769484624 KZXVTTJZNBQNID-CZUORRHYSA-N 442.354 4.483 5 20 IIBD C[C@@H](OC(=O)c1cc(Br)ncc1[N+](=O)[O-])C(=O)c1ccc(C(C)(C)C)cc1 769833627 PYBRYBQBPJLSKL-LLVKDONJSA-N 435.274 4.478 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1CNCc1ccc(Br)cc1N1CCOCC1 769926930 CYKVTUVCPUHHGR-UHFFFAOYSA-N 440.725 4.137 5 20 IIBD COc1cc(CN2CCC[C@@H]2C[C@H](O)c2ccco2)c([N+](=O)[O-])cc1OCC(F)(F)F 770320672 DWICDKFGHZEHFA-ZBFHGGJFSA-N 444.406 4.226 5 20 IIBD Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 771467519 QOGGVZXGOJRYKD-SFHVURJKSA-N 439.903 4.452 5 20 IIBD O=C(NC[C@@H]1COC2(CCCC2)O1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 773340623 FFGIGNDWVSDHJE-QGZVFWFLSA-N 432.860 4.456 5 20 IIBD CCc1cccc(C)c1NC(=O)COC(=O)c1sc(Br)cc1[N+](=O)[O-] 773596019 BHRHAGNMYFGTKJ-UHFFFAOYSA-N 427.276 4.085 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 775551574 PFXPDXINDGCRIM-ZDUSSCGKSA-N 436.390 4.261 5 20 IIBD Cc1cc(C)n(-c2ccc(C(=O)O[C@H](c3cccnc3)c3ccccc3[N+](=O)[O-])cn2)n1 776216614 BHFZJRXPRMHNEK-JOCHJYFZSA-N 429.436 4.134 5 20 IIBD C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F 777123132 NVQUXFUNZSNOEU-XIKOKIGWSA-N 445.825 4.005 5 20 IIBD O=C(Nc1ccc(OCc2noc(C3CC3)n2)cc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 777992215 MPFLPKHBJLECBV-UHFFFAOYSA-N 430.367 4.165 5 20 IIBD CCOc1ccc(-c2noc(CCC(=O)OCc3ccc([N+](=O)[O-])cc3Cl)n2)cc1 778088709 WFYJDLLBJOWFLE-UHFFFAOYSA-N 431.832 4.373 5 20 IIBD CC(C)[C@@H](OC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(=O)Nc1ccccc1C(F)(F)F 780068114 JQVLQGLGHXBBQB-MRXNPFEDSA-N 426.347 4.139 5 20 IIBD Cc1nc(CN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c2ccc(F)cc2)cs1 781620028 OVEWJKCAURPPAC-FQEVSTJZSA-N 440.456 4.225 5 20 IIBD CC(C)[C@@H]1C[C@@H](CC(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)CCO1 781952388 UMIHLPXTBBFXOC-DWLFOUALSA-N 446.544 4.364 5 20 IIBD COc1cccc([C@H](OC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c2ccncc2)c1 782454511 AUCHSDPJYMWEEU-JOCHJYFZSA-N 430.420 4.131 5 20 IIBD COc1ccc(NC(=O)C2(NCc3ccc([N+](=O)[O-])c(Cl)c3)CCCC2)cc1OC 783677419 MHDZEYBQDKERQJ-UHFFFAOYSA-N 433.892 4.307 5 20 IIBD COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 786713815 LMLKGDKKPVJUHV-SNVBAGLBSA-N 435.285 4.116 5 20 IIBD Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl 786898162 TZWNHGRYCRQUDG-KRWDZBQOSA-N 437.283 4.117 5 20 IIBD CCN(C(=O)COC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@H](C)c1ccc(F)cc1 790743306 VZBOSHFGHMWODS-GFCCVEGCSA-N 440.830 4.222 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc(Cl)c1F 791763267 GVUGLTFLWXHMNX-UHFFFAOYSA-N 435.839 4.417 5 20 IIBD Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)OCc1ccc([N+](=O)[O-])cc1Cl 797229961 BWOOYNIJWXCHSJ-UHFFFAOYSA-N 439.859 4.132 5 20 IIBD CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 799786333 PWFJJOPYVKSCDE-ZDUSSCGKSA-N 445.438 4.381 5 20 IIBD CC[C@@](O)(C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(Cl)c1 800320035 QAGJVZODWOCHRS-YUNKPMOVSA-N 431.832 4.200 5 20 IIBD O=C(Nc1nccn1Cc1ccc(Br)cc1)c1cc(F)c([N+](=O)[O-])cc1F 809237743 MFAMWVYAJPJHFC-UHFFFAOYSA-N 437.200 4.133 5 20 IIBD C[C@H](OC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)s1)C(=O)Nc1ccccc1[N+](=O)[O-] 811289533 RFQHWVDJBIKBLU-LBPRGKRZSA-N 449.485 4.212 5 20 IIBD Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 812989001 AYVRRKLGCCKTIN-HNNXBMFYSA-N 440.308 4.364 5 20 IIBD O=C(NCCCCn1cc(Br)cn1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813236111 FJCGLQCHGUKLQC-UHFFFAOYSA-N 436.093 4.071 5 20 IIBD Cc1noc2nc(C(C)C)cc(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c12 813363452 KOBRRMLXKCIZFO-UHFFFAOYSA-N 432.820 4.012 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C(=O)Nc1ccc(OC(F)F)cc1 815511154 XVICVDPVMCKWJE-VIFPVBQESA-N 448.300 4.399 5 20 IIBD O=C(NCc1ccc(-c2ccccc2)cc1F)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 815718294 WJFWNLYCNNOTHW-UHFFFAOYSA-N 427.819 4.309 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cc(Br)nn2C)cc1 820237073 HOLUOCPYAOIBQR-UHFFFAOYSA-N 447.245 4.144 5 20 IIBD O=C(OCc1ccc(Cl)cc1Cl)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 904219211 BUEFQNQQJHXRBT-NSHDSACASA-N 427.215 4.137 5 20 IIBD CCCN(CC(C)C)C(=O)c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 914505174 QSIZZLFPKCOERX-UHFFFAOYSA-N 434.514 4.179 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 914861121 RODDBINZWYUCPL-JOCHJYFZSA-N 447.491 4.091 5 20 IIBD O=C(OCc1csc(C2CCCCC2)n1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 915385254 OXNJUCNLJNEFHX-AWEZNQCLSA-N 447.488 4.334 5 20 IIBD Cc1[nH]c2ccc(Br)cc2c1CC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 915434058 PKOSUIQISIJJGL-UHFFFAOYSA-N 431.242 4.116 5 20 IIBD O=C(CN1CCCCCC1)Nc1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1 916020372 QZPGEBHLMICXRL-UHFFFAOYSA-N 427.530 4.218 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)c1cnn(-c2ccccc2)c1)c1cccc([N+](=O)[O-])c1 918638939 XJINLVSYIOIAIC-HXUWFJFHSA-N 448.479 4.022 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@H](C)Oc1cc(C(C)C)ccc1C 919409076 YQKIOTGAWPMCQN-HOTGVXAUSA-N 444.484 4.373 5 20 IIBD COc1c([N+](=O)[O-])cc(N[C@@H](C)Cc2ccccc2F)c([N+](=O)[O-])c1Br 919723806 YQHOOJRXRVCQBJ-VIFPVBQESA-N 428.214 4.456 5 20 IIBD CO[C@@H]1CCC[C@H](OC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)C1 920123674 FLPHWFVCAKHXNR-SJORKVTESA-N 426.469 4.006 5 20 IIBD CS(=O)(=O)c1ccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1Cl 1115975216 DRDZKSKPCQWIOD-UHFFFAOYSA-N 437.886 4.028 5 20 IIBD Cc1nn(-c2ccccc2)c2nc(-c3nnc(COc4ccccc4[N+](=O)[O-])o3)ccc12 1118131928 LGGBLHNMBIMPRE-UHFFFAOYSA-N 428.408 4.266 5 20 IIBD Cc1cc(Br)c(F)cc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1N 1256686508 XRJFVSZUJXZCQJ-UHFFFAOYSA-N 447.058 4.402 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 1322542005 CROMZELXNOYJPI-UHFFFAOYSA-N 442.472 4.020 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2c1nnc(COc2ccccc2[N+](=O)[O-])o1 1322777778 JXDFIUALIIQMPT-CQSZACIVSA-N 430.461 4.061 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@@H]3CCCCO3)cc2)CCC1)c1cc(F)cc([N+](=O)[O-])c1 1785890275 OPLIWEFIKCUWSP-FQEVSTJZSA-N 441.459 4.051 5 20 IIBD CC(C)OCC(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])CCC2)cc1 1785922802 SKKXUHKLRKESEZ-MDWZMJQESA-N 437.496 4.167 5 20 IIBD O=C(Cc1cc([N+](=O)[O-])ccc1F)Nc1ccc(C2(NC(=O)C34CC(C3)C4)CCC2)cc1 1786671366 IPIODYOMPNWNKI-UHFFFAOYSA-N 437.471 4.211 5 20 IIBD Cc1cccc(CC(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])[nH]4)cc3)CCC2)c1 1790184522 QEMFTNDLAZNLFN-UHFFFAOYSA-N 432.480 4.222 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)Nc1ccc(C2(NC(=O)c3cnoc3)CCC2)cc1 1790771426 ZQXCSPSDMKFPHO-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD O=C(NC1(c2ccc(NC(=O)C3(F)CCC3)cc2)CCC1)c1cc(F)cc([N+](=O)[O-])c1 1792056732 CNLKCNXIRDMAJM-UHFFFAOYSA-N 429.423 4.374 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)cc1 1799680233 PBULWCFBQZDTFV-NBWRFPAISA-N 439.899 4.213 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)c1cccs1 1802850793 AXTDKZZKSCRPFW-JONQDZQNSA-N 445.516 4.159 5 20 IIBD CC/C=C(\C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])[C@H]1c1cccnc1 1813708784 WZJMJWCLFKWOTD-IFMRTVAZSA-N 448.523 4.065 5 20 IIBD O=C(CC1CCCC1)Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)[nH]n1 1816689560 MVTLRYQNOSTBRM-LJQANCHMSA-N 443.479 4.343 5 20 IIBD O=C([C@H]1CC=CCC1)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830618061 JTGQRZZGBUQIEQ-PGRDOPGGSA-N 443.519 4.324 5 20 IIBD Cc1cc(Cl)cc(C(=O)N2CC3(CCCN3C(=O)CCc3cccc([N+](=O)[O-])c3)C2)c1 1841808973 RNOXYYNAUPFWQN-UHFFFAOYSA-N 441.915 4.006 5 20 IIBD CCOC(=O)c1cc(C(=O)N[C@@H](C)c2nc3ccccc3n2C(F)F)cc([N+](=O)[O-])c1 9759486 VIKCWTXVNULWBB-NSHDSACASA-N 432.383 4.007 5 20 IIBD CCOC(=O)c1cc(C(=O)OCC(=O)Nc2ccccc2-c2ccccc2)cc([N+](=O)[O-])c1 10854992 YPXTWHRWMNMWBA-UHFFFAOYSA-N 448.431 4.234 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC(c1ccccc1)c1ccccc1 16636789 ZNFBORRDVFBTCV-UHFFFAOYSA-N 431.448 4.189 5 20 IIBD Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1S(=O)(=O)Nc1ccccc1F 23988655 FJHLZEQEIZSFJP-UHFFFAOYSA-N 435.458 4.157 5 20 IIBD Cc1ccc(C)c(OC[C@@H](O)COc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 27214668 RYQATMCKJIGFEX-NRFANRHFSA-N 436.464 4.283 5 20 IIBD CCN(CC)c1ccc(-c2nnc(Sc3nc4sccn4c3[N+](=O)[O-])n2C)cc1 28977773 XZLXAVLBYZQMCN-UHFFFAOYSA-N 429.531 4.097 5 20 IIBD Cc1ccc2nc([C@H]3CCCN3C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)[nH]c2c1 61232663 NNOMLCRYEBVWGV-JOCHJYFZSA-N 433.512 4.360 5 20 IIBD O=C(CCn1cc([N+](=O)[O-])cn1)Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCC2 63591554 IILXIFAAFYACQE-UHFFFAOYSA-N 444.900 4.255 5 20 IIBD C[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(N2CCCC2=O)c1 64943377 AKRPMNFDUXMHMH-AWEZNQCLSA-N 436.493 4.336 5 20 IIBD CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 65127025 RPQCZTXTXJNOEW-GFCCVEGCSA-N 439.390 4.317 5 20 IIBD O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 71892187 KRKGTGXUPNTDES-QFIPXVFZSA-N 442.947 4.415 5 20 IIBD CN(CC1CCCCC1)C(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 109111746 BXWQZSFZLZRZBK-UHFFFAOYSA-N 431.514 4.048 5 20 IIBD COc1ccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1Br 237449552 MPESVSGQCFJIDF-UHFFFAOYSA-N 431.290 4.056 5 20 IIBD CCn1c(Sc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])nnc1-c1cccc(Cl)c1 301092690 NYOGODZFRRTTLK-UHFFFAOYSA-N 438.918 4.081 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N[C@@H]1CCOC2(CCCC2)C1 301705611 SCBGTXAZROXQOH-QGZVFWFLSA-N 431.514 4.299 5 20 IIBD CC[C@H](C(=O)OC)N(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 303670576 JRCYXUYINKAMSV-GOSISDBHSA-N 425.466 4.317 5 20 IIBD COc1cc(CCNC(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])cc1OC 410158567 QSYVZOBZKYBZAD-LBPRGKRZSA-N 441.406 4.234 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc3ccc(Cl)cc3n2)ccc1[N+](=O)[O-] 410403541 RWWILEMRVLNHCK-IBGZPJMESA-N 438.871 4.348 5 20 IIBD CC(C)(C)Nc1ccccc1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 410404767 WIJZTILKHWRRDH-UHFFFAOYSA-N 428.308 4.369 5 20 IIBD CCCSC[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)O 426775319 SDTRITJVICSRPN-OAHLLOKOSA-N 443.319 4.303 5 20 IIBD O=C(Nc1nc(-c2ccncc2)n[nH]1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 433104979 NTZZYTJJGLPUIY-UHFFFAOYSA-N 449.858 4.293 5 20 IIBD O=C(NCC1(CCO)CCCCC1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 433978591 JFMJJEQOSLWPMK-UHFFFAOYSA-N 441.315 4.150 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 436001610 CCDCEWOETCKBSN-HDJSIYSDSA-N 437.265 4.328 5 20 IIBD O=C(NCC1(c2ccccc2)CCOCC1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436115389 ORURMGRRSUIFSR-UHFFFAOYSA-N 448.469 4.438 5 20 IIBD COc1ccccc1C1(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 436280834 FQGZXGLGPAWKOS-UHFFFAOYSA-N 434.442 4.430 5 20 IIBD COc1cc(C(=O)NCc2ccnc(Oc3cccc(C)c3C)c2)c([N+](=O)[O-])cc1OC 437126418 ILBRDCHUGJCASM-UHFFFAOYSA-N 437.452 4.346 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)cc1C 437173281 SHHDKCNAQCLVFG-UHFFFAOYSA-N 438.918 4.108 5 20 IIBD COC(=O)c1cc2cc(CSCCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)ccc2o1 437268098 PRCJEJOGSYEABX-UHFFFAOYSA-N 442.449 4.359 5 20 IIBD O=[N+]([O-])c1cccc(-c2ncn(C[C@@H](O)COc3ccc(Oc4ccccc4)cc3)n2)c1 438817770 GHCDHMQJVCZJLU-LJQANCHMSA-N 432.436 4.086 5 20 IIBD Cc1c(CC(=O)Nc2ccccc2NS(=O)(=O)c2ccc(F)cc2)cccc1[N+](=O)[O-] 439041620 KFRKUZZHLIJJAO-UHFFFAOYSA-N 443.456 4.024 5 20 IIBD COc1ccc(NC(=O)CCN2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c([N+](=O)[O-])c1 443663898 ZFDLSVCXJFSZDL-AWEZNQCLSA-N 442.447 4.092 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CC[C@H]2[C@H](CCCN2C2CC2)C1 444241550 FGMVUUIFHUUBNA-PEBXRYMYSA-N 437.490 4.048 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CC[C@@H](n2cnc3c2CCCC3)C1 444341094 VCNVKXJYPSFIBH-OAHLLOKOSA-N 448.473 4.122 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(NCc3cnn(-c4ccc(Br)cc4)c3)cc2N1 444875334 PQLYVJFKHBATDI-UHFFFAOYSA-N 442.273 4.040 5 20 IIBD O=[N+]([O-])c1ccc(C(F)(F)c2nc(-c3csc(I)c3)no2)cc1 445304024 YKMVXFZXCHRXHX-UHFFFAOYSA-N 449.176 4.451 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(Cc2ccc(Br)s2)CC1 446499964 TXALMEUCFGUYPU-UHFFFAOYSA-N 439.335 4.077 5 20 IIBD CSc1cccc(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)c1[N+](=O)[O-] 447074000 AYRIOVZPIBDMEW-UHFFFAOYSA-N 447.314 4.195 5 20 IIBD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCCc2c[nH]c3ccc(Br)cc23)n1 447598528 VKYOXMLBFQZJDO-QZTJIDSGSA-N 432.322 4.351 5 20 IIBD COCCOc1cc(Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])ccc1OC 447685435 LFRFCIMJPKCHJE-UHFFFAOYSA-N 437.321 4.421 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(c1nnc(CC3CCCCC3)n1C[C@H]1CCCO1)CC2 461123701 KYTTUELRMNOODM-OAQYLSRUSA-N 425.533 4.051 5 20 IIBD C[C@@H](NS(=O)(=O)c1ccc(OCC(F)F)c2ccccc12)c1cccc([N+](=O)[O-])c1 462541812 IBNIBTGJCGZDPS-CYBMUJFWSA-N 436.436 4.431 5 20 IIBD O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 463014103 UGUUCSQXYBCEPH-XMSQKQJNSA-N 425.485 4.068 5 20 IIBD CS(=O)(=O)c1ccc(Sc2ccccc2C(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 463170074 FCLKXICREMISSR-UHFFFAOYSA-N 442.518 4.080 5 20 IIBD CCOc1cc(C(=O)N(CCc2ccc(C)cc2)C[C@H]2CCCO2)c([N+](=O)[O-])cc1OC 464645515 UVRJMQOXKFMKMK-LJQANCHMSA-N 442.512 4.174 5 20 IIBD COCCN(C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)[C@H]1CCCSC1 468602887 QGVAKVCQQAGCDB-WMZOPIPTSA-N 444.557 4.147 5 20 IIBD COC[C@@H](C)Oc1ccc(Cl)cc1N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 468821377 DHLYNJQYSMUSQN-OLZOCXBDSA-N 437.880 4.110 5 20 IIBD COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 470384779 YQDILXQYGKTDRD-CYBMUJFWSA-N 430.848 4.100 5 20 IIBD COC(=O)c1nc([C@@H]2CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)sc1C 471329117 OBUVVFJWPMCYGT-ZDUSSCGKSA-N 431.495 4.338 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@H](C)c3noc(-c4ccccc4)n3)cc2[N+](=O)[O-])CC1 472687119 QPEPTCLDTXSTPO-MRXNPFEDSA-N 435.484 4.372 5 20 IIBD Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 472693411 OCUYACHHQJKSHD-UHFFFAOYSA-N 441.390 4.338 5 20 IIBD CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)Cc1ccccc1[N+](=O)[O-] 475696216 RDKINYWYAHYMLW-GOSISDBHSA-N 435.318 4.054 5 20 IIBD CC(C)c1ccc2c(c1)[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)CCC2 476553787 NWGYHMWEEODDMZ-KRWDZBQOSA-N 447.438 4.452 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](CO)c1ccc(Cl)cc1C(F)(F)F 483257530 QTZJNUNOQNZWBE-QGZVFWFLSA-N 445.825 4.227 5 20 IIBD CN(Cc1nccn1CC(F)(F)F)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 484838098 UEIVRFFDNNZJBI-UHFFFAOYSA-N 447.417 4.238 5 20 IIBD O=[N+]([O-])c1ccc(NCc2ccccc2CN2CCC(O)CC2)nc1-c1ccc(F)cc1 485397480 WSGRAYFISIVUKS-UHFFFAOYSA-N 436.487 4.365 5 20 IIBD Cc1c(NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nn2c(C(F)(F)F)nnc2c1C 486002170 KZMGKOYLGOGMOE-UHFFFAOYSA-N 434.300 4.299 5 20 IIBD O=C(NC[C@H]1CCN(CCc2ccccc2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 487042545 ONENXXIPUSIGFC-GOSISDBHSA-N 436.537 4.013 5 20 IIBD C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 489517249 UFAWWIANVUHIQE-YOEHRIQHSA-N 434.443 4.228 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H]2CCC[C@@H](c3ccccc3)C2)ccc1[N+](=O)[O-] 489638634 LEKOTSPNYHWBPH-KJXAQDMKSA-N 435.524 4.350 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@H](C)c3cnn(C)c3C)c([N+](=O)[O-])c2)c(C)c1 493008238 JSTRXNNXWFZYAK-OAHLLOKOSA-N 443.529 4.227 5 20 IIBD O=C(NCCOc1ncc(Cl)cc1Cl)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 495049077 RYSFRNIQWVSAFK-UHFFFAOYSA-N 425.272 4.050 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 497784458 JXRRRNWFDMOKTQ-AZUAARDMSA-N 429.542 4.128 5 20 IIBD CS(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1C(F)F 497954645 ZTZAUCXBZBBDHS-UHFFFAOYSA-N 438.330 4.207 5 20 IIBD CCCCN(C)CC1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC1 498734443 NTMWJLVOWMNFTK-UHFFFAOYSA-N 431.455 4.120 5 20 IIBD CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 499304192 AOTHMUUCDLSVKW-UHFFFAOYSA-N 440.102 4.489 5 20 IIBD O=C(N[C@@H]1COc2cc(F)c(Br)cc21)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 500294963 TTWPXFLBHWNGEG-GFCCVEGCSA-N 449.154 4.379 5 20 IIBD CC(C)N(C)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 500824669 OKFLOODDWHGUSP-UHFFFAOYSA-N 428.308 4.003 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3cccc(C(=O)NC(C)(C)C)c3)cc2)c(C)c1[N+](=O)[O-] 502166724 BYASGKBKZWWXOX-UHFFFAOYSA-N 449.511 4.237 5 20 IIBD O=C(NCC1(c2ccc(Cl)cc2Cl)CCOCC1)c1n[nH]c2ccc([N+](=O)[O-])cc12 502727230 ZSEKZKNVVZUMTI-UHFFFAOYSA-N 449.294 4.256 5 20 IIBD CCC[C@@H](NC(=O)Nc1cc(OCC)c(OCC)cc1[N+](=O)[O-])c1nnc2ccccn12 506119749 AEGHZFFCUHSESO-CQSZACIVSA-N 442.476 4.098 5 20 IIBD O=C(CCSc1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1)Nc1ccccc1 507757681 VUTRWVWLNSALJD-UHFFFAOYSA-N 446.488 4.415 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 508149786 KWSDZMDLAUMZJD-OAHLLOKOSA-N 445.483 4.371 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](c1cccc(F)c1)c1nccn1C 509386837 KQDZNRXOCGTNFT-HXUWFJFHSA-N 425.464 4.177 5 20 IIBD CC1CCC(NS(=O)(=O)c2ccc(N[C@@H](C)c3ccncc3F)c([N+](=O)[O-])c2)CC1 509457417 XXLQQCKTMKHSSU-SLTAFYQDSA-N 436.509 4.159 5 20 IIBD CCOc1cc(NC(=O)NCc2ccnc(N3CCCCC3)c2)c([N+](=O)[O-])cc1OCC 509726299 AUAIEJSCRPQCHD-UHFFFAOYSA-N 443.504 4.099 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1[N+](=O)[O-] 509802359 IVIMMOLHRJXXSX-AWEZNQCLSA-N 446.301 4.157 5 20 IIBD CCOc1ccc(S(=O)(=O)N(C)C)cc1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 511780179 XYWLBTOHFNKGLQ-UHFFFAOYSA-N 445.497 4.116 5 20 IIBD O=C(NC[C@@H](c1ccccc1)N1CCOCC1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 514558246 YVHPLMQAHXGOQW-QHCPKHFHSA-N 447.491 4.190 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1)c1cccc([N+](=O)[O-])c1 517840150 QUDHSNSDRHHJJG-ZDUSSCGKSA-N 440.843 4.251 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCC2(c3ccccc3Cl)CCOCC2)cc1OC 517978351 PIEJFPHFELLWAI-UHFFFAOYSA-N 448.903 4.134 5 20 IIBD COc1cc(CN[C@@H]2c3ccccc3CC23CCOCC3)c([N+](=O)[O-])cc1OC(F)F 518842742 CIYRCZGVZIBPLA-HXUWFJFHSA-N 434.439 4.389 5 20 IIBD COc1ccc([C@@H](C)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])cc1 519887228 APHYIGBXCGSDEW-MRXNPFEDSA-N 433.530 4.341 5 20 IIBD CC(C)c1c(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(Cl)cc1 520255871 KPURBHGCQUJHDZ-UHFFFAOYSA-N 428.876 4.366 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CC(=O)N(Cc1cccs1)c1ccc(Br)cc1 520969095 GZQOJYJUYMJHED-UHFFFAOYSA-N 435.303 4.157 5 20 IIBD O=C(Nc1ccc(Oc2ccccc2)nc1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 521088109 GDBBXQSLCDJMSP-MRXNPFEDSA-N 438.465 4.087 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCCC1 521560450 BOURSQVEZFBTSU-IBGZPJMESA-N 431.876 4.243 5 20 IIBD COC(=O)[C@@H](C)CNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 522437804 TZAQLYLAKQSHIZ-HNDQUVLASA-N 439.493 4.061 5 20 IIBD CC[C@H](c1ccc(F)cc1)S(=O)(=O)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] 524251463 DAILZVFXZWLKOK-QGZVFWFLSA-N 433.404 4.410 5 20 IIBD O=[N+]([O-])c1cc2c(cc1S(=O)(=O)Nc1ccc3oc4ccccc4c3c1)OCCO2 524513414 HNCADNIBWDOQCV-UHFFFAOYSA-N 426.406 4.066 5 20 IIBD O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 525354424 JDYWWAGHCSQFGJ-LJQANCHMSA-N 427.476 4.361 5 20 IIBD C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1cc2ccccc2s1 526952200 UTAANCIFJCJOLG-OCCSQVGLSA-N 429.523 4.353 5 20 IIBD C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cc(I)cc([N+](=O)[O-])c1 536553059 YSKXVOSEXXZAND-SWLSCSKDSA-N 436.249 4.218 5 20 IIBD COc1cc(CN2CC[C@H](C)[C@H](n3ccnc3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 539929464 ZSBXKZWEDXJNHC-PGRDOPGGSA-N 436.512 4.462 5 20 IIBD COc1cc(CCNC(=O)Nc2nc(Cc3ccccc3)cs2)c([N+](=O)[O-])cc1OC 542392415 UHCPNZGSRIBDDO-UHFFFAOYSA-N 442.497 4.024 5 20 IIBD C[C@H](C(=O)Nc1ccccc1-n1cc(Br)cn1)c1ccc([N+](=O)[O-])cc1F 543467502 IFGLNXLYHBCWDK-NSHDSACASA-N 433.237 4.424 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)NCc1ccc(Br)cc1Cl 544133596 UBGVWNFWZVIXIY-UHFFFAOYSA-N 428.670 4.019 5 20 IIBD Cn1ccc([C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)c2ccc(Cl)cc2)n1 545163577 RPTYXMKOAVIRPA-NRFANRHFSA-N 439.903 4.419 5 20 IIBD COc1ccc(CSCc2nc(-c3ccccc3Cn3cccn3)no2)cc1[N+](=O)[O-] 546285768 RMRVRZNTNZAXPE-UHFFFAOYSA-N 437.481 4.332 5 20 IIBD CCOc1ccc(O[C@@H](C)c2nnc(N(C)Cc3ccccc3[N+](=O)[O-])n2CC)cc1 549046199 CXKQCRULKHKVKZ-INIZCTEOSA-N 425.489 4.381 5 20 IIBD CC(C)n1cc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cn1 555955019 HTOIBGZVRYFYHL-UHFFFAOYSA-N 425.411 4.246 5 20 IIBD CCN(C(=O)c1cc([N+](=O)[O-])cc(Br)c1C)c1ccc(Br)cn1 560020376 RAWJEOIAYKTHFD-UHFFFAOYSA-N 443.095 4.490 5 20 IIBD COC(=O)c1scc(-c2ccc(C)cc2)c1NC(=O)COc1ccccc1[N+](=O)[O-] 566938997 NVYXBYRKDZCNJR-UHFFFAOYSA-N 426.450 4.436 5 20 IIBD COc1cc(CN2CC[C@@H](n3cc(Cl)cn3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 571933803 JSPOZIRVKCJYST-LJQANCHMSA-N 442.903 4.479 5 20 IIBD Cc1csc(-c2nc(Cc3ccccc3[N+](=O)[O-])no2)c1I 574000071 POYRFGDKIYYXDF-UHFFFAOYSA-N 427.223 4.210 5 20 IIBD C[C@H](OCCCNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ccccc1 574344926 PDJREKKGVIRAKH-INIZCTEOSA-N 427.501 4.115 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)c1 574416262 MBDSDWMEYFNPJQ-KSFYIVLOSA-N 428.485 4.049 5 20 IIBD C[C@H](c1ccc(Br)cc1)N1CCN(c2ncnc3sc([N+](=O)[O-])cc23)CC1 579037595 MKDWTCWZYSLMFX-GFCCVEGCSA-N 448.346 4.245 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(-c2ccc(Cn3cncn3)cc2)no1 580361982 WYTJCLVXDYEHMT-UHFFFAOYSA-N 441.245 4.023 5 20 IIBD COc1cc(CNCCc2ccc3c[nH]nc3c2)ccc1OCc1ccc([N+](=O)[O-])cc1 585743409 GIHUNFGHNGRWNE-UHFFFAOYSA-N 432.480 4.391 5 20 IIBD CC(C)OCc1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)no1 589669706 AHNBFDKGKZESRZ-CYBMUJFWSA-N 434.518 4.429 5 20 IIBD Cc1cc(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)n(-c2ccc([N+](=O)[O-])cc2)n1 592946871 JVDAQHPMTINXNR-UHFFFAOYSA-N 439.859 4.121 5 20 IIBD O=C(Nc1n[nH]c(-c2ccccc2Br)n1)c1cc2cc([N+](=O)[O-])ccc2o1 603733248 ZDGHXKBHGKFJGP-UHFFFAOYSA-N 428.202 4.141 5 20 IIBD O=C(Nc1cccc(COCCOc2ccccc2)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 603816776 XTYUQSVWICAQJV-UHFFFAOYSA-N 436.420 4.171 5 20 IIBD Cc1cc(Br)ccc1C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 603953574 QJFAEZVJOZCNPF-QGZVFWFLSA-N 449.301 4.479 5 20 IIBD CN(Cc1ccccc1)CC1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 608964813 ZBYHXBGTIBEPKK-UHFFFAOYSA-N 436.556 4.179 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OCCN3CCCC3)c(C)c2)cc1SC 609887093 NIPMWSWQWWIUCE-UHFFFAOYSA-N 445.541 4.361 5 20 IIBD CCOc1ccccc1[C@H](CC)NC(=O)COc1ccc(Br)cc1[N+](=O)[O-] 610219590 UZNYYTQZPSTJSV-HNNXBMFYSA-N 437.290 4.402 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc1SC 610597856 IEQCZPNUJFTIJK-IUCAKERBSA-N 432.342 4.138 5 20 IIBD CN(C[C@@H](O)C1CC1)C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 610707586 HVKDMBRVQDOYBP-QGZVFWFLSA-N 437.855 4.092 5 20 IIBD COc1cc(C(=O)Nc2ccc3c(cnn3C(F)F)c2)c([N+](=O)[O-])cc1OC(F)F 610961624 UKEXCXUCNJOCCT-UHFFFAOYSA-N 428.298 4.202 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC[C@H](C(C)(C)C(=O)O)C3)cc2[N+](=O)[O-])C1 611478428 BBDYUUWSOBAYHC-NUJGCVRESA-N 431.533 4.040 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCOc2c(Br)cccc2C1 619306682 RWWKXNZKSKECRO-UHFFFAOYSA-N 426.654 4.437 5 20 IIBD COCCCn1c(Sc2ccc(F)cc2[N+](=O)[O-])nnc1-c1ccc(OC)c(OC)c1 619696854 AUWZGCGTXNVFNQ-UHFFFAOYSA-N 448.476 4.197 5 20 IIBD O=C(c1ccc2ncccc2c1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727329973 JYJWZGMYEGFTHD-UHFFFAOYSA-N 430.386 4.124 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CCC[C@H](c2ccccc2)CC1 727462080 KUJJMXPEEUGAGF-HNNXBMFYSA-N 439.331 4.316 5 20 IIBD CCN(Cc1cccc(NC(=O)CSc2ccccc2[N+](=O)[O-])c1)C(=O)C(F)(F)F 727806010 FWVURNIJIBOBRD-UHFFFAOYSA-N 441.431 4.236 5 20 IIBD Cc1ccc(C(=O)NC[C@@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1[N+](=O)[O-] 728972965 MOPWPVZSIPTPDC-MRXNPFEDSA-N 436.308 4.102 5 20 IIBD Cc1nn(CCC(=O)Oc2c(Cl)cc(Br)cc2Cl)c(C)c1[N+](=O)[O-] 731177278 HCRFCLOXWYKNLO-UHFFFAOYSA-N 437.077 4.473 5 20 IIBD COc1cc2c(cc1NC(=O)COC(=O)c1cc(F)cc([N+](=O)[O-])c1)oc1ccccc12 731528427 IGDZEEDJHVAUAE-UHFFFAOYSA-N 438.367 4.437 5 20 IIBD CCC(CC)(CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)N[C@@H](C)c1ccccc1 732294207 UKVJHVNRJJBKCC-INIZCTEOSA-N 428.489 4.451 5 20 IIBD O=C(C[C@@H]1CCc2ccccc21)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 734392874 SSEIDVMPBJTMKC-INIZCTEOSA-N 433.430 4.382 5 20 IIBD C[S@@](=O)CCNC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 735052117 INKKPXKIXCSBOG-CGNAPUSOSA-N 449.532 4.128 5 20 IIBD CC(C)[C@H](OC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)c1ccccc1 735149722 ZZTZIKJMQRVLND-FQEVSTJZSA-N 434.876 4.248 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1)Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1 735902128 ZWTUYVJPDILHHW-UHFFFAOYSA-N 438.867 4.369 5 20 IIBD O=C(OCc1nnc(-c2ccc(Br)o2)o1)c1cc(Cl)cc([N+](=O)[O-])c1 736867803 YQBNJROHOPTJGZ-UHFFFAOYSA-N 428.582 4.011 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 743266923 HOXCYCRVOUFWJD-CQSZACIVSA-N 435.502 4.290 5 20 IIBD O=C(Cn1ccc([N+](=O)[O-])n1)O[C@H](c1ccccc1)c1cc(Br)ccc1F 744183619 OQIHNZIYBNJTDO-GOSISDBHSA-N 434.221 4.026 5 20 IIBD O=C(Nc1ccccc1C(=O)NCCNc1ccccc1)c1ccc([N+](=O)[O-])cc1Cl 748545682 QEZGKNDYXSRNPP-UHFFFAOYSA-N 438.871 4.342 5 20 IIBD Cn1cc(-c2csc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3Cl)n2)cn1 750885817 DNTJSDWJYVCYNR-UHFFFAOYSA-N 442.682 4.120 5 20 IIBD O=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1cc([N+](=O)[O-])ccc1Br 751076115 QDGZJZRBHMPMMX-UHFFFAOYSA-N 427.258 4.284 5 20 IIBD COc1c([N+](=O)[O-])cc(NC[C@H]2CCCO[C@@H]2C(C)C)c([N+](=O)[O-])c1Br 751967861 IHOWUWXQCZQWGB-MEBBXXQBSA-N 432.271 4.137 5 20 IIBD Cc1ccc([C@H](C)NC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)cc1[N+](=O)[O-] 752416793 NXHMQPFEABMHIU-YIRPMMGJSA-N 444.451 4.025 5 20 IIBD Cn1ccnc1Sc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2Br)cc1 753795283 WCDKEQDAMYTSPP-UHFFFAOYSA-N 433.287 4.494 5 20 IIBD C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)Oc1ccc(Cl)cc1 754636852 SGMOBFWZBGFPAV-VIFPVBQESA-N 431.645 4.347 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cccc(-c2ccccn2)c1C 755016071 QCBDIHCMNKFQNZ-HNNXBMFYSA-N 435.436 4.158 5 20 IIBD CCO[C@@H](C)c1nc(COC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cs1 756526552 JXOOBNIVZKNZTL-JTQLQIEISA-N 429.292 4.197 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 756992443 BJTWFYAILASRDZ-UHFFFAOYSA-N 433.726 4.028 5 20 IIBD Cc1c(Br)cc(-c2nc(-c3cccc(N4CCOC4=O)c3)no2)cc1[N+](=O)[O-] 762198428 UIBVQEWRBDJJBN-UHFFFAOYSA-N 445.229 4.339 5 20 IIBD Cc1ccc(-c2n[nH]c(SCC(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)n2)cc1 764636534 VOXRRSZJKHIYPX-UHFFFAOYSA-N 431.905 4.092 5 20 IIBD CC(=O)O[C@@H]1CCCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 765073721 GEAVDMMXCVBBKJ-QGZVFWFLSA-N 431.876 4.028 5 20 IIBD CN(C(=O)c1ccc(-c2ccco2)s1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 766259444 RHYIGFBLZOLPFI-UHFFFAOYSA-N 426.859 4.031 5 20 IIBD COC(=O)c1cc(C(=O)OCc2nc(-c3c(F)cccc3F)cs2)cc([N+](=O)[O-])c1 768014739 DWQFASYYKIYOGN-UHFFFAOYSA-N 434.376 4.140 5 20 IIBD O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)c1ccc([N+](=O)[O-])c(Cl)c1 768709811 IAHKFFBXIZPVRV-GFCCVEGCSA-N 438.709 4.267 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(Cc1cccnc1)c1ccc(F)cc1 769891253 JYFMMNZWXZTCQG-UHFFFAOYSA-N 435.864 4.486 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2cccc(OCC(F)(F)F)c2)cccc1[N+](=O)[O-] 770122996 APGBTRNLYWYFMV-GFCCVEGCSA-N 426.347 4.028 5 20 IIBD C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1c(Br)cccc1[N+](=O)[O-] 770378821 IJKVTVVRNHPQIC-STQMWFEESA-N 428.327 4.235 5 20 IIBD C[C@@H](Cc1ccncc1)Nc1ccc([N+](=O)[O-])c(N[C@@H](C)Cc2ccncc2)c1[N+](=O)[O-] 771163055 KCFCADLATWDULN-HOTGVXAUSA-N 436.472 4.379 5 20 IIBD CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)c1cc(F)ccc1[N+](=O)[O-] 774776200 AWOKYMPJSDRHKW-INIZCTEOSA-N 439.281 4.264 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2nnc(-c3ccc4ccccc4c3)o2)ccc1Cl 775093921 CFVHNQIIPLOKEU-UHFFFAOYSA-N 430.829 4.252 5 20 IIBD Cc1cccc(Cl)c1S(=O)(=O)NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C 775278432 HYSCZUIIRCZFLM-UHFFFAOYSA-N 428.919 4.176 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCc2ncc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)cc2C1 777007880 NAQXBWUVTTXWLD-OAHLLOKOSA-N 446.891 4.278 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)C[C@@H](C)C(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 777215467 JIZNJCDVMCNXKA-TZMCWYRMSA-N 432.860 4.336 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCO[C@@H](c3ccc(F)cc3F)C2)CC1 779288468 WBHMRMGXFWVNFJ-JOCHJYFZSA-N 445.466 4.323 5 20 IIBD O=C(COC(=O)c1c[nH]nc1-c1cc2ccccc2o1)Nc1ccc([N+](=O)[O-])cc1Cl 781299623 CNCGQHFEPOQFSE-UHFFFAOYSA-N 440.799 4.180 5 20 IIBD Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)OCc2ccc([N+](=O)[O-])c(F)c2)c1 781825289 WSUPEUYCPSJYPD-UHFFFAOYSA-N 430.461 4.075 5 20 IIBD Cc1ccc2nc([C@H]3CCCN(CCC(=O)Nc4cc([N+](=O)[O-])ccc4F)C3)[nH]c2c1 782524574 NDKLBXRXZXSFBX-HNNXBMFYSA-N 425.464 4.127 5 20 IIBD CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 787607356 WSVDGTXDSPREPH-GOSISDBHSA-N 433.427 4.313 5 20 IIBD C[C@@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1nnnn1C1CCCCC1 787677212 FOKJJMBQBHWEDG-GFCCVEGCSA-N 428.474 4.128 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C)c2cc3c(cc2Br)OCCO3)c1F 790290023 KHNSEHLXXBIPAI-JTQLQIEISA-N 439.237 4.067 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1cc(F)ccc1OC[C@@H]1CCCO1 790904517 DOSWCNVCABZJAZ-ZDUSSCGKSA-N 426.803 4.265 5 20 IIBD Cc1ccc(-n2cnc3c2CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C3)cc1 790965976 NCTXDUILWDMOPT-UHFFFAOYSA-N 428.851 4.009 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N(Cc2ccccc2)C[C@H]2CCCO2)cc1[N+](=O)[O-] 792969378 OMGACWOIXODNDI-LJQANCHMSA-N 439.512 4.039 5 20 IIBD COc1c(C(=O)Nc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)cccc1[N+](=O)[O-] 793511095 AYVBVTYMRBNMFT-UHFFFAOYSA-N 427.457 4.149 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Oc2ccccc2CNC(=O)OC(C)(C)C)cc1C 795985293 QMVMSCUVUXNJAQ-UHFFFAOYSA-N 436.486 4.004 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3COc4cc(F)c(Br)cc43)CC2)cc1 800540106 WYPJCMWNONJDKT-GOSISDBHSA-N 436.281 4.189 5 20 IIBD Cc1c(C(=O)Nc2ccc(Cc3nc(C(C)C)no3)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 801710797 VADBAINPSAQWFF-UHFFFAOYSA-N 425.401 4.161 5 20 IIBD COC(=O)[C@@H](C)OC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 807616023 MDKHKKJCGKEGCY-LKKYZFDUSA-N 426.450 4.240 5 20 IIBD CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)c3cc(F)c([N+](=O)[O-])cc3F)cccc21 807858282 HHOMOXRETICTET-UHFFFAOYSA-N 447.438 4.491 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1 810317202 JKUCYYYLYCSFEW-GOSISDBHSA-N 440.500 4.328 5 20 IIBD Cc1ccc(NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1C(F)(F)F 810392222 XZFFEHLCKJWTMK-UHFFFAOYSA-N 446.179 4.262 5 20 IIBD COc1cc(C(=O)OC[C@H]2CCN(c3ccccc3F)C2)c([N+](=O)[O-])cc1OC(F)F 810914452 FKHOOVJWQIKSEF-LBPRGKRZSA-N 440.374 4.027 5 20 IIBD CC(=O)N1CCN(Cc2ccc(NCc3cc(Cl)cc(Cl)c3[N+](=O)[O-])cc2)CC1 811486609 OOUIXEKVEPFPDC-UHFFFAOYSA-N 437.327 4.178 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](CCN2CCCC2=O)c2ccccc21 812025435 AJKSRLVHYWYPHH-SFHVURJKSA-N 446.511 4.121 5 20 IIBD C[C@@]1(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)OCCc2sccc21 812263562 NSCOASIZIMWMNR-INIZCTEOSA-N 445.722 4.290 5 20 IIBD O=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 812844823 PUFKQCHIEGGADN-UHFFFAOYSA-N 431.659 4.299 5 20 IIBD O=C(c1cc(Cl)ncc1Br)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 813023939 FNGQRRDROMMNDS-HNNXBMFYSA-N 428.695 4.294 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 814339590 MDBWTUCMALXCPF-INIZCTEOSA-N 449.573 4.325 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)Nc1ccc(F)cc1Cl 823290758 KFSWQLGHQBBQKM-UHFFFAOYSA-N 435.839 4.173 5 20 IIBD O=C(CCc1cccc(Br)c1)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 849209002 QRBJELPVFFIXJY-UHFFFAOYSA-N 432.230 4.083 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Br)ccc1Br 914731675 KZCSYSVGWFQFAN-UHFFFAOYSA-N 443.095 4.438 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)O[C@@H](C)C(=O)N2CCC(C)CC2)cc1 915442010 IGQODNUMKZUUCD-INIZCTEOSA-N 442.468 4.200 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)NC(=O)[C@@H](C)Sc2ccccc2Cl)cc1[N+](=O)[O-] 916796693 KZEYFXNBRJANKT-SNVBAGLBSA-N 449.337 4.196 5 20 IIBD CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 917331501 POWCILTVFNQZAA-UHFFFAOYSA-N 436.251 4.198 5 20 IIBD CC(C)N(C)c1ccc(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])cc1F 917746110 APYGFNNRISBXML-UHFFFAOYSA-N 446.298 4.142 5 20 IIBD Cc1nccn1-c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cn1 918662840 AEHINEKBNPWHSW-UHFFFAOYSA-N 429.436 4.206 5 20 IIBD Cc1cn(CC(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c2ccccc12 1115920807 LEFFJLNOLVGUOW-ZDUSSCGKSA-N 449.385 4.447 5 20 IIBD C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1sc(Br)cc1[N+](=O)[O-] 1337530183 PNWQWKTUHRHYGW-HFAKWTLXSA-N 425.304 4.410 5 20 IIBD O=C(CCc1ccsc1)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1 1790185261 LFVHYHWUCZKJKT-UHFFFAOYSA-N 438.509 4.365 5 20 IIBD CC(C)/C=C/C(=O)Nc1ccc(C2(NC(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)CCC2)cc1 1792061036 CQTMUIBYFXFCKN-NYYWCZLTSA-N 447.495 4.431 5 20 IIBD Cc1cc(C)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)C3)c(C)c1 1803560036 PFWQFJWDIKSKDD-RVCPKINZSA-N 437.496 4.078 5 20 IIBD CCC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)CCC1 1823679174 HJOHPDLEJJZEMT-QFIPXVFZSA-N 441.572 4.337 5 20 IIBD CC/C=C(\C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1823681829 ZQJXFLGCTXTSOJ-YVOIMTDZSA-N 427.545 4.113 5 20 IIBD CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)CCC1 1823709328 GEWNHJWRQHCGHC-FQEVSTJZSA-N 431.508 4.157 5 20 IIBD CC(C)(C)CCCCCC(=O)N1CCCC12CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)C2 1846087384 UWTOOXGWXAMMJG-UHFFFAOYSA-N 447.551 4.476 5 20 IIBD COc1cccc(-c2nc(COC(=O)c3cc(OC)c(OC)cc3[N+](=O)[O-])cs2)c1 9488081 LAEFNJNUGNPQMJ-UHFFFAOYSA-N 430.438 4.101 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccc(Br)cc2)cs1 9729736 PNMQIZGHXPHJSS-UHFFFAOYSA-N 434.271 4.498 5 20 IIBD C[C@@H](c1ccc(F)cc1)N(C)C(=O)COC(=O)Cn1c2ccccc2c(=O)c2ccccc21 10723518 CNSUZIVIXGDLKJ-KRWDZBQOSA-N 446.478 4.057 5 20 IIBD C[C@H](OC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)Nc1ncccn1 11745528 KNPKJOWJTFESHE-LBPRGKRZSA-N 442.815 4.015 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1 12393305 HSUQBULEWBSWHW-UHFFFAOYSA-N 439.459 4.294 5 20 IIBD COc1ccc(NC(C)=O)cc1NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 14793068 ZUNWDMCLBWVNHQ-UHFFFAOYSA-N 434.452 4.426 5 20 IIBD Cc1c(C(=O)NCc2ccccc2CN2CCN(c3ccccc3)CC2)cccc1[N+](=O)[O-] 31956613 JBLOJUFCKJUMMA-UHFFFAOYSA-N 444.535 4.155 5 20 IIBD O=[N+]([O-])c1ccccc1OCCSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 59406818 GNGNETZMNNCXAN-QGZVFWFLSA-N 444.488 4.343 5 20 IIBD Cn1cc(C(=O)NCc2ccc(CN3CCCCCC3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 63680231 LHXXYTJARXSAOR-UHFFFAOYSA-N 447.539 4.301 5 20 IIBD CCCCn1c(Sc2ccc(C(=O)NC)cc2[N+](=O)[O-])nnc1-c1ccc(OC)cc1 64905381 UUQLCVSDYXXDRL-UHFFFAOYSA-N 441.513 4.173 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCSCC3)cc2C)cc1OC 65035325 IKGCAPHJSCBOCB-UHFFFAOYSA-N 431.514 4.116 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-])c1ccccn1 108756927 NJQHEFLDFXAJCZ-GOSISDBHSA-N 431.496 4.125 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 195661822 TUCPBKNHONYLMY-UHFFFAOYSA-N 435.278 4.077 5 20 IIBD Cn1cc(CNCCc2ccc(F)c(Br)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 237920954 BBZNABHHAVIRFJ-UHFFFAOYSA-N 433.281 4.229 5 20 IIBD Cc1c(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 247984275 IQFCVFMFPGSXPQ-UHFFFAOYSA-N 436.428 4.049 5 20 IIBD COC(=O)c1cccc(NC2CCN(c3cc(C)nc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)c1 301782066 SXRCGDOJTSCFKL-UHFFFAOYSA-N 447.495 4.228 5 20 IIBD CC1CCN(C2CCC(NC(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC2)CC1 425922563 DWRVSUWIQBTAJO-UHFFFAOYSA-N 442.482 4.456 5 20 IIBD COc1ccccc1CSc1ccccc1NC(=O)CCn1cc([N+](=O)[O-])nc1C 432100096 TWFJOHQTYFKSIE-UHFFFAOYSA-N 426.498 4.429 5 20 IIBD Cc1ccc(Cc2nnc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)s2)cc1 432668153 IUFZIQJNZBOPAA-UHFFFAOYSA-N 433.287 4.360 5 20 IIBD CCc1noc(C)c1NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 434608143 OMGMPRUVDQSJMS-UHFFFAOYSA-N 432.483 4.244 5 20 IIBD O=C(NCc1ccccn1)c1cccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1 436066976 RYSUARCJNQNGQT-UHFFFAOYSA-N 448.482 4.259 5 20 IIBD O=C(Nc1ccccc1CN1CCSCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 436225096 DGYMZXIXEXRAHZ-UHFFFAOYSA-N 429.545 4.482 5 20 IIBD C[C@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c2cc(Br)ccc2O1 436329834 LNHVPFWMIPEEON-NSHDSACASA-N 430.258 4.195 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1cc(Br)c(O)c(Br)c1 436997394 IPPRODFBCKZGHC-UHFFFAOYSA-N 434.015 4.217 5 20 IIBD Cc1ccc([C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C)S(C)(=O)=O)cc1 437347287 MKNMOAVEHMMKEM-OPAMFIHVSA-N 428.510 4.427 5 20 IIBD C[C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCN1Cc1ccccc1 437815763 ACUAWAAUWRRKIV-OAHLLOKOSA-N 434.443 4.325 5 20 IIBD NC(=O)CCOc1ccc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])cc1 440761967 OZOXSKYNRGFKPB-UHFFFAOYSA-N 437.477 4.253 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 443638125 IBNTZSPDHTVVRJ-ZIAGYGMSSA-N 442.447 4.090 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H](C)c3c(C)nn(CC(F)(F)F)c3C)n2)c1 445573053 UIWYNFZEWHUQAC-JTQLQIEISA-N 439.394 4.105 5 20 IIBD O=C(Nc1cc(Br)ccc1-n1cccn1)N1CCc2ccc([N+](=O)[O-])cc2C1 447054979 CMQIBSAXUHKQFS-UHFFFAOYSA-N 442.273 4.133 5 20 IIBD COc1cccc(C2(NCc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CCOCC2)c1F 447366131 JJFOLELNCFQROY-UHFFFAOYSA-N 427.432 4.193 5 20 IIBD O=C(Nc1ccc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1)c1ccc(F)cc1 447546037 ZRUTZDIYQZJMKG-RTWAWAEBSA-N 437.475 4.456 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NC[C@@H](C)Oc3ccccc3Cl)cc2)c(C)c1[N+](=O)[O-] 460450457 NRUAQBGWFHVQQB-CQSZACIVSA-N 442.903 4.307 5 20 IIBD COc1ccc([C@H]2CCN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C2)cc1 462268593 PYQMJUAVXVRTLU-LBPRGKRZSA-N 431.297 4.088 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N(Cc2ccoc2)C2CCCCC2)c1 462322630 AOUQVFUVRFATSD-UHFFFAOYSA-N 443.319 4.474 5 20 IIBD COc1ccc(CCNc2nnc(S[C@@H](C)c3ccccc3[N+](=O)[O-])s2)cc1OC 463046209 WLAIBVZKYMJRPH-ZDUSSCGKSA-N 446.554 4.971 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@@H](C)Oc2ccccc2F)cc1[N+](=O)[O-])c1ccccn1 463925592 KGZBJSNYHIMQFS-CVEARBPZSA-N 438.459 4.499 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(N2CCC(c3ccc(OC)cc3)CC2)c([N+](=O)[O-])c1 467027585 ZQSMPDFQLUBVCH-UHFFFAOYSA-N 447.557 4.018 5 20 IIBD C[C@H](CNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])CN1CCOCC1 467789109 QPLJGGPEHPJRFR-OAHLLOKOSA-N 449.960 4.098 5 20 IIBD C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br 468340754 QVOKFIRAHJVSNH-SNVBAGLBSA-N 425.229 4.324 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1nc2c(s1)C[C@H](c1ccccc1)CC2 468741921 FAIGXNYSGFYFJL-OAHLLOKOSA-N 443.550 4.339 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2c(C)cnn2Cc2ccccc2F)cc1SC 470202252 WKSNAPZBRUGLKR-UHFFFAOYSA-N 430.461 4.270 5 20 IIBD CC(C)(C)c1nc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(C(=O)O)c3)cc2s1 471121636 SHHBIYSDRVNTKO-UHFFFAOYSA-N 435.483 4.001 5 20 IIBD Cn1c(Sc2ccc([N+](=O)[O-])cc2Br)nnc1[C@H]1COc2ccccc2O1 478214914 YRKLLEUAMOJYIT-CQSZACIVSA-N 449.286 4.150 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1[N+](=O)[O-] 479257700 ZQVROIVSZIOMBN-AWEZNQCLSA-N 443.525 4.063 5 20 IIBD NC(=O)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)cc1 481778533 SISDKVGHJRGWPL-UHFFFAOYSA-N 438.871 4.140 5 20 IIBD CC[C@H](NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 483744599 PSTQASWHYPTGIQ-NRFANRHFSA-N 441.509 4.427 5 20 IIBD O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1 484009803 RNBVXAGQFOVPTR-UHFFFAOYSA-N 425.876 4.414 5 20 IIBD O=C(NCc1cccnc1Oc1cccc(F)c1)c1cc([N+](=O)[O-])ccc1OC(F)F 485161571 MXRUAGRUHPFYJS-UHFFFAOYSA-N 433.342 4.453 5 20 IIBD Cn1cc(/C=C\c2nc(C(=O)O)c(Br)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 486003996 LHFKKVPNLPGJLK-DAXSKMNVSA-N 435.259 4.083 5 20 IIBD O=C(CN(Cc1cccnc1)C(=O)c1ccc([N+](=O)[O-])cc1F)Nc1ccc(Cl)cc1 486149093 PSVVUFWLIVKPML-UHFFFAOYSA-N 442.834 4.063 5 20 IIBD CSc1cccc(C(=O)Nc2cc(I)ccc2C)c1[N+](=O)[O-] 486568944 UYVDJHLXRRDALQ-UHFFFAOYSA-N 428.251 4.482 5 20 IIBD O=C(CCSc1ccc2c(c1)OCCO2)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 486746955 SHDHPZLHQFOKDS-UHFFFAOYSA-N 442.415 4.183 5 20 IIBD COc1c(F)cc(S(=O)(=O)Nc2ccccc2COc2ccccc2)cc1[N+](=O)[O-] 488294092 LCYSTKZSZRJVGF-UHFFFAOYSA-N 432.429 4.122 5 20 IIBD CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 488676136 UYKQWUWNTWVEAW-KRWDZBQOSA-N 442.535 4.031 5 20 IIBD CC[C@H](NC(=O)NCc1ccccc1CN1C[C@@H](C)O[C@H](C)C1)c1cccc([N+](=O)[O-])c1 489344538 ZCNCAOUUKFSSES-PNCHPQGNSA-N 440.544 4.155 5 20 IIBD CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] 491058180 OCDANSYEVOIPOZ-SFHVURJKSA-N 443.569 4.310 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@H]1CCOC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 494541032 FWATVNAQOAAPFQ-ZDUSSCGKSA-N 431.876 4.490 5 20 IIBD CCOC(=O)c1ncc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)s1 499518835 JBLCHSZPMNSYNJ-LBPRGKRZSA-N 441.469 4.048 5 20 IIBD CCOc1cc(C(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)c([N+](=O)[O-])cc1OC 500119534 GCIJKOOEUOMCFD-NRFANRHFSA-N 425.416 4.056 5 20 IIBD CC(C)(C)c1ccc(C(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)cc1[N+](=O)[O-] 501743626 RGLPBIXGAFYXSC-UHFFFAOYSA-N 432.480 4.470 5 20 IIBD CC(=O)Nc1c[nH]nc1[C@H]1CCCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 501765727 LTCIDKBXLXMIEA-IBGZPJMESA-N 448.527 4.424 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])Nc1ccc(CC(=O)N2CCc3ccccc32)cc1 502583667 CZKQBIQAQVWWOZ-UHFFFAOYSA-N 430.464 4.048 5 20 IIBD O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1cc([N+](=O)[O-])ccc1SCCO 504283558 DZXIGNXRHXDXEG-UHFFFAOYSA-N 434.367 4.012 5 20 IIBD CCOc1cc(NC(=O)c2ccc(CN3CCSCC3)cc2)c([N+](=O)[O-])cc1OCC 508808180 FZVUSMDOHKELDH-UHFFFAOYSA-N 445.541 4.193 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C2CCN(c3ccc4cccc(O)c4n3)CC2)cc1[N+](=O)[O-] 509014333 GCSDZRRTJDZDAA-MRXNPFEDSA-N 434.496 4.251 5 20 IIBD CCOc1ccc(-c2nc(CC(=O)N(C)CCc3cccc([N+](=O)[O-])c3)cs2)cc1 513009759 VEBOIFJFZNRZOE-UHFFFAOYSA-N 425.510 4.361 5 20 IIBD COc1ccccc1SC[C@H](C)CN[C@H](c1ccc([N+](=O)[O-])cc1)c1nccn1C 513653842 GAIHKPCRQIGBCF-IIBYNOLFSA-N 426.542 4.444 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCc3sccc3C2)c([N+](=O)[O-])c1 514489623 BFVIYBKQGZLZOD-UHFFFAOYSA-N 443.550 4.434 5 20 IIBD CC(=O)Nc1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1Cl 514562400 SVPLYCDIHPVIGJ-UHFFFAOYSA-N 431.754 4.400 5 20 IIBD Cc1c(Br)cc(C(=O)N[C@@H](C)[C@H]2OCCc3sccc32)cc1[N+](=O)[O-] 515320512 QSTMLKOUAOFQGU-MGPLVRAMSA-N 425.304 4.160 5 20 IIBD CCc1c(-c2nc(Cc3ccc([N+](=O)[O-])c(OC)c3)no2)nnn1-c1cccc(Cl)c1 516213815 IZNKNABXWANWRO-UHFFFAOYSA-N 440.847 4.041 5 20 IIBD C[C@H](CNCc1ccc(Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1)N1CCN(C)CC1 517545627 WGABZDLNGQKTSY-LJQANCHMSA-N 440.588 4.410 5 20 IIBD O=C(Nc1nnc(Cc2ccc(F)cc2)s1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 518549914 CIUXISYCYAITCQ-UHFFFAOYSA-N 427.461 4.029 5 20 IIBD Cc1nnc(COCC(=O)N(CC(C)C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)s1 520281361 UENNJUORLGPBLN-UHFFFAOYSA-N 447.542 4.084 5 20 IIBD COc1cc(CN(C)C(=O)CNc2ccccc2[N+](=O)[O-])ccc1OCc1ccccc1 521532931 FROBKQCKHSALSR-UHFFFAOYSA-N 435.480 4.253 5 20 IIBD CCN(CC)[C@@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1ccccc1 522628376 YEUHWPVDPXZKQO-FQEVSTJZSA-N 441.919 4.289 5 20 IIBD CC[C@H](c1ccc(F)cc1F)N1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 525274763 DGNKYXWNYAFENB-OAQYLSRUSA-N 433.455 4.008 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1ccc(C)c(OCC2CCOCC2)c1 525462003 USLZNEDZCVESAU-INIZCTEOSA-N 443.500 4.156 5 20 IIBD CN(C)[C@]1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CCSC1 530644236 MBJLGNCDTDYDAS-SFHVURJKSA-N 440.363 4.144 5 20 IIBD CN(C)[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(Cl)cc1 531305563 GJHHTCOAAXGVTR-QHCPKHFHSA-N 433.939 4.227 5 20 IIBD CCCOc1c(Br)cc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)cc1OC 535458007 DGUGWQOFAQQMOS-UHFFFAOYSA-N 449.261 4.283 5 20 IIBD O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)c1cc(Br)sc1Br 536355768 VBMUDAIKAACNTK-UHFFFAOYSA-N 446.080 4.310 5 20 IIBD C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 537945105 APJSQYLLJFZVOV-WEBUEUPWSA-N 448.926 4.387 5 20 IIBD COc1cccc([C@H](C)N[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 538128677 FGLKMVJFBPHLTC-UONOGXRCSA-N 426.498 4.405 5 20 IIBD CC(C)C[C@@H]1C[C@@H](NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CCO1 540766010 URQXIXYQNDSATN-GXTWGEPZSA-N 441.315 4.411 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccccc1NCc1ccccc1C 541156148 UPHOXFNSDVZJGO-SFHVURJKSA-N 436.516 4.386 5 20 IIBD C[C@H](C(=O)N1CCc2c(Br)ccc(F)c2C1)c1ccc([N+](=O)[O-])cc1F 542694288 LYCFJDWWFIHMKH-JTQLQIEISA-N 425.229 4.324 5 20 IIBD O=C(NCc1ccc(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)cc1)C1CCCC1 544593179 KQUBHSAKHXFHJB-UHFFFAOYSA-N 435.484 4.106 5 20 IIBD C[C@@H](Sc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C)C(=O)Nc1ccc(C(C)(C)C)cc1 545109656 IXBUJPXWTIEBOU-CYBMUJFWSA-N 440.525 4.259 5 20 IIBD COCCOc1ccc(Cl)cc1-c1noc(-c2ccn(-c3ccccc3[N+](=O)[O-])n2)n1 546462193 ZIIKIIGEVPHSLU-UHFFFAOYSA-N 441.831 4.176 5 20 IIBD CC(=O)N1CCc2c(NC(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)cccc21 546718531 OPZSHGCTPCXCCV-UHFFFAOYSA-N 430.464 4.368 5 20 IIBD Cn1c(SCc2cccc(C(=O)Nc3ccccc3)c2)nc2cc([N+](=O)[O-])ccc2c1=O 547229994 PQBBWZARSTXHRE-UHFFFAOYSA-N 446.488 4.386 5 20 IIBD Cn1nccc1[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cccs2)C1 549579339 USXCALZVBBEQMD-KRWDZBQOSA-N 449.540 4.081 5 20 IIBD O=C(Nc1ccc(OC2CCCC2)cc1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 551756115 SPKCFYKFKQTTSQ-UHFFFAOYSA-N 448.273 4.256 5 20 IIBD Cn1cc(CN2CCC3(CCN(Cc4ccccc4)CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 552272839 DOGJARYMFNFDOC-UHFFFAOYSA-N 445.567 4.483 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 554081400 JRMXQVDCXVDVTJ-UHFFFAOYSA-N 425.416 4.006 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1 554970871 JFDYPCLCWCFHBQ-UHFFFAOYSA-N 449.511 4.056 5 20 IIBD Cc1ccc(NC(=O)N2CCN(C(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1Cl 559357839 FAEZCEDNCYJNCT-OAHLLOKOSA-N 430.892 4.036 5 20 IIBD COc1cc(CNc2ccc(F)c(NC(N)=O)c2)c([N+](=O)[O-])cc1OCc1ccccc1 560557162 SDFBEZGTNGMSPV-UHFFFAOYSA-N 440.431 4.424 5 20 IIBD O=C([C@@H]1CN(Cc2ccccc2)CCC1(F)F)N(Cc1ccccc1[N+](=O)[O-])C1CC1 560598606 HGVVLHFCNMJTIR-FQEVSTJZSA-N 429.467 4.243 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC2(CCN(Cc3ccccc3)CC2)C1 560678297 GPOZJLCEIRBKAR-UHFFFAOYSA-N 448.567 4.323 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2c2nc(Cc3c(F)cccc3F)no2)ccc1[N+](=O)[O-] 572642475 GQIZABAMXUQGEH-SFHVURJKSA-N 428.395 4.133 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCCN(Cc3ccccc3)C2)cc1SC 577686567 NWWXWXDYZKXKJA-GOSISDBHSA-N 443.569 4.357 5 20 IIBD Cc1c(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)nnn1-c1cccc([N+](=O)[O-])c1 591709299 CPRSFZJQCLXRQZ-HNNXBMFYSA-N 448.508 4.113 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NC[C@H](Nc3ccccc3)C(C)C)cc2)c(C)c1[N+](=O)[O-] 592046835 XYEPKVVGPYTOCD-QFIPXVFZSA-N 435.528 4.323 5 20 IIBD COC(=O)CN(C)C(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2 600835059 JMOZKWJCYJRDIC-LGMDPLHJSA-N 445.475 4.265 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(NCc3ccc(N4CCc5ccccc5C4)nc3)cc2N1 603867003 WRFDSWJFISGCAZ-UHFFFAOYSA-N 429.480 4.049 5 20 IIBD CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1cn(-c2ccccc2)nc1-c1ccccc1 603929486 MKBNRPBOVUFPDO-UHFFFAOYSA-N 427.464 4.419 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604276898 XWYLFYKMZHJCSQ-VXGBXAGGSA-N 427.345 4.295 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] 608802586 YILHACABITVPHD-KUHUBIRLSA-N 449.429 4.404 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1C[C@H]1c1cccc(Br)c1 608809416 HOGKZGWMRIFFID-LKTVYLICSA-N 439.693 4.450 5 20 IIBD COC(=O)c1coc(CN2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)c1 608832319 BBFJTMSZASVURC-UHFFFAOYSA-N 441.509 4.021 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccc(-c3ncon3)cc2)cc1[N+](=O)[O-])c1ccccn1 608874867 KONLXMKKQUZTLL-CQSZACIVSA-N 430.424 4.465 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCCN(CC(F)(F)F)CC3)c([N+](=O)[O-])c2)cc1 608972771 GIMKIMJZNUIWNG-UHFFFAOYSA-N 436.434 4.230 5 20 IIBD O=C(N[C@H]1CCc2c(Br)cccc21)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 609022351 FVEAYPZEMOCWSC-KRWDZBQOSA-N 430.302 4.375 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCc3cc4c(nc3O)CCC4)cc2[N+](=O)[O-])n1 609584901 PAIGYWBYCWWQSA-UHFFFAOYSA-N 442.522 4.030 5 20 IIBD O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 609853989 ZXWWZKWLYZQGHO-UHFFFAOYSA-N 427.810 4.225 5 20 IIBD Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 610094886 PDZHSBOGPQDARK-UHFFFAOYSA-N 426.517 4.433 5 20 IIBD CCO[C@@H]1C[C@@H](N(C)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C12CCCCC2 610191927 LHBVSZYIDMMQMJ-FGZHOGPDSA-N 429.561 4.398 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 610605762 BWIYTFQSWYJICV-RKDXNWHRSA-N 435.118 4.170 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1CNc1cccc(NC(=O)CCN2CCCCC2)c1 610910800 GNNYMHXNRLRMOL-UHFFFAOYSA-N 426.517 4.420 5 20 IIBD NC(=O)c1ccc(CNc2cc3c(cc2Sc2ccccc2)OCCO3)c([N+](=O)[O-])c1 725795521 HLTZLUUSHATGDO-UHFFFAOYSA-N 437.477 4.228 5 20 IIBD CCOc1ccc(NC(=O)c2ccc(NC(=O)Cc3ccc(OC)c([N+](=O)[O-])c3)cc2)cc1 727659620 QQCGUTIQIXYTQC-UHFFFAOYSA-N 449.463 4.436 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc([N+](=O)[O-])cc1I 727712489 WDRNYCZDLFBUOV-UHFFFAOYSA-N 447.572 4.013 5 20 IIBD CC1(c2ccccc2)CC(NC(=O)c2cc([N+](=O)[O-])ccc2I)C1 729964081 REDGPCRUXPOTML-UHFFFAOYSA-N 436.249 4.050 5 20 IIBD COc1ccc(CCC(=O)OC[C@@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])cc1Cl 730705878 RUHOEAWVGQDJMS-INIZCTEOSA-N 446.887 4.037 5 20 IIBD CCOc1ccc([C@H]2CCCN2c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])cc1 731918891 ZGHSSGWYOHGKFY-MRXNPFEDSA-N 426.441 4.331 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1F 732524480 FSWIOEDONMSMJB-UHFFFAOYSA-N 425.438 4.190 5 20 IIBD C[C@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C[C@H](C)N1C(=O)OC(C)(C)C 733117285 NABZEAYTRKFWKM-ROUUACIJSA-N 449.551 4.011 5 20 IIBD CC(C)C[C@H](CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)N(C)C 733884101 NORKHDMEHIQPSE-MRXNPFEDSA-N 446.935 4.207 5 20 IIBD CC(C)(C)C(=O)c1ccsc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 735801680 NKCFUBPAISDZFX-NSHDSACASA-N 433.461 4.016 5 20 IIBD O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)c1cc(Cl)ccc1[N+](=O)[O-] 736221585 WIODDSPZLNVZIW-UHFFFAOYSA-N 438.311 4.175 5 20 IIBD O=C(OCc1nnc(-c2ccc(Br)s2)o1)c1cc(Cl)cc([N+](=O)[O-])c1 736868008 ZVOJARKMLHNHAO-UHFFFAOYSA-N 444.650 4.479 5 20 IIBD CN(C)C1CCN(c2ccc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)cc2F)CC1 739552079 NLJUOWKXWLLIBK-UHFFFAOYSA-N 428.508 4.181 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1cnn(-c2ccccn2)c1C(F)(F)F 741934219 GFQXZCHLEBZECS-UHFFFAOYSA-N 425.754 4.408 5 20 IIBD COc1cc(C(=O)OCc2cccc(N(C)C)c2)c([N+](=O)[O-])cc1OCc1cscn1 741949099 BJCNIIDFOHIOHE-UHFFFAOYSA-N 443.481 4.062 5 20 IIBD Cn1c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc2cc(C(F)(F)F)ccc21 742474635 ZDXDRJYDKXVKDA-UHFFFAOYSA-N 432.402 4.068 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 742507625 OPVRYIMOKHXXSA-LJQANCHMSA-N 446.548 4.035 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2ccccc2NC(=O)CC(C)C)cccc1[N+](=O)[O-] 744643344 FUJYWGOHDHXDBG-HNNXBMFYSA-N 427.457 4.072 5 20 IIBD COC(=O)[C@H](OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 744770282 RPPHXAMPGYULMH-OAHLLOKOSA-N 443.195 4.189 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)c(C(F)(F)F)c1 748307241 JORBAUUGDZWKNP-QGZVFWFLSA-N 449.477 4.047 5 20 IIBD C/C(=C\C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccc(C(F)(F)F)cc1 748390663 LIJVVLBPMWPUSI-DHZHZOJOSA-N 426.322 4.338 5 20 IIBD CC(C)c1nc(C(=O)OCCOc2ccccc2[N+](=O)[O-])nn1-c1ccccc1Cl 748414818 JHIFCCHNEWGACA-UHFFFAOYSA-N 430.848 4.188 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c(F)c1 753430705 FYRPVNQOOACCDT-NSHDSACASA-N 439.237 4.297 5 20 IIBD O=C(Nc1ccccc1OCCn1ccnc1)c1cc(F)cc([N+](=O)[O-])c1Br 754966313 CMSWVPGTYSGXNN-UHFFFAOYSA-N 449.236 4.024 5 20 IIBD C[C@@H](c1cc2ccccc2o1)N(C)C(=O)COC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F 755069094 QCJFEXVWTUNDHJ-KGLIPLIRSA-N 428.416 4.346 5 20 IIBD CCN(CC)C(=O)CCC(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 755077120 WCFCJJRRJUHELR-UHFFFAOYSA-N 447.875 4.055 5 20 IIBD C[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccccc1NS(=O)(=O)c1cccs1 755211136 OCZHIKUHENGBFF-LBPRGKRZSA-N 449.485 4.087 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@](C)(OC)c3ccccc3F)CC2)ccc1[N+](=O)[O-] 759519837 GJPOHLLYUWFWAM-HSZRJFAPSA-N 446.475 4.206 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)/C=C/c1ccc(Cl)nc1 759762663 YFFRPCZMWGTDDS-VQHVLOKHSA-N 427.848 4.144 5 20 IIBD Cc1cc(NC(=O)c2ccco2)sc1C(=O)O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 759940903 OORRXLIARICWLC-KBPBESRZSA-N 444.469 4.347 5 20 IIBD COc1ccc(C(=O)CCC(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1F 760532354 RYKLHGLZVJGSIW-UHFFFAOYSA-N 428.372 4.104 5 20 IIBD Cc1c(Cc2noc(C3CCN(C(=O)/C=C/c4ccccc4)CC3)n2)cccc1[N+](=O)[O-] 762319745 LVRMGZSFOMYPOE-ZHACJKMWSA-N 432.480 4.296 5 20 IIBD CCCc1c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cnn1-c1ccc(C)cc1 762650510 DSJFWVJATIIPJU-UHFFFAOYSA-N 449.511 4.130 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC(=O)Nc1ccccc1Br 765520509 DMIBKYXITSSBAT-CQSZACIVSA-N 435.274 4.108 5 20 IIBD CC(C)(C)OC(=O)N1CCC(CC(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 765945956 KYSUWGNLJXYKBN-UHFFFAOYSA-N 445.472 4.330 5 20 IIBD COc1cc(COC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)c([N+](=O)[O-])cc1F 766162446 XTBZEFLBKNBVRM-UHFFFAOYSA-N 444.415 4.212 5 20 IIBD CC1CCN(c2ccc(C(=O)O[C@H](C)C(=O)c3c[nH]c4ncccc34)cc2[N+](=O)[O-])CC1 767484549 VNRWDHVPJQRKDA-OAHLLOKOSA-N 436.468 4.136 5 20 IIBD CSc1ccc(NC(=O)Cn2cc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)cn2)cc1 768712209 LTJWHWDGIAAFCB-UHFFFAOYSA-N 445.888 4.058 5 20 IIBD O=C(NCCn1cc([N+](=O)[O-])cn1)c1cc(-c2nc3ccccc3s2)nc2ccccc12 769383998 WSSZECFVHNUPAE-UHFFFAOYSA-N 444.476 4.046 5 20 IIBD COc1cc(/C=C(\Cl)c2nnc(C(=O)NCc3ccc(F)cc3)s2)ccc1[N+](=O)[O-] 770570804 KFHLCANBJZLWEA-ZSOIEALJSA-N 448.863 4.261 5 20 IIBD CC1(C(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCN(Cc2ccccc2)CC1 772704118 CUHQWQCQDXTMNR-UHFFFAOYSA-N 445.903 4.032 5 20 IIBD C[C@@H](C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cn(C)c2ccccc12 772842553 NCHGPNODKLTLJC-GFCCVEGCSA-N 449.385 4.391 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)cc1[N+](=O)[O-] 773152575 JHNWIEMDFIYJJI-UHFFFAOYSA-N 435.318 4.268 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 775694180 UEOMKBPYIYGZRA-APWZRJJASA-N 430.505 4.423 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] 777632570 NRQQJVLNPSKOQA-UHFFFAOYSA-N 441.465 4.265 5 20 IIBD C[C@H](Nc1ccc(C(=O)O[C@H]([C@@H]2CCOC2)C(F)(F)F)cc1[N+](=O)[O-])c1ccccn1 778036252 DTYCTXYBRLNNNZ-WPKBUWHJSA-N 439.390 4.287 5 20 IIBD CCOc1ccc2ccccc2c1OS(=O)(=O)c1ccc(NC(=O)OC)c([N+](=O)[O-])c1 778072300 KHKHEJIWHUWQOV-UHFFFAOYSA-N 446.437 4.093 5 20 IIBD O=C(O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1cc([N+](=O)[O-])ccc1OC(F)F 779365432 CRVGGAFLEDASDC-GOSISDBHSA-N 445.334 4.446 5 20 IIBD Cc1csc(Sc2ccc(C(=O)OCc3ncnn3CC(C)C)cc2[N+](=O)[O-])n1 779468814 SMBINZSCCJMLJP-UHFFFAOYSA-N 433.515 4.115 5 20 IIBD CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 780655492 WIAQRXGVYNISRQ-UHFFFAOYSA-N 437.540 4.495 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 780765267 FQQFGVDUFVCOLA-UHFFFAOYSA-N 442.472 4.176 5 20 IIBD Cn1cnc(-c2cccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3Cl)c2)n1 783612542 GXZFSHAWATUZNR-UHFFFAOYSA-N 436.653 4.059 5 20 IIBD C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(N2CCOC2=O)c1 783941730 ZCVNUYCSHQLKPP-GFCCVEGCSA-N 435.889 4.174 5 20 IIBD COc1ccc(-c2noc([C@@H](C)OC(=O)c3cc(Br)cc([N+](=O)[O-])c3)n2)cc1 784261781 MQFWKMUSBWGNFL-SNVBAGLBSA-N 448.229 4.334 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)[C@H]2CCC(=O)c3cccn32)c2ccccc2)c([N+](=O)[O-])c1 789236874 ISNZNWYYSFCYKT-KNQAVFIVSA-N 447.447 4.146 5 20 IIBD COc1cccc([C@@H](C)CCCC(=O)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 789412319 LGLNTWWJZBEVJP-ZDUSSCGKSA-N 440.905 4.036 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 790442145 ABSVQCWUEMHEOQ-UHFFFAOYSA-N 446.217 4.012 5 20 IIBD C[C@H](OC(=O)CCCC1CCOCC1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 798736897 QBPZFAAWNZGQOK-AWEZNQCLSA-N 447.513 4.185 5 20 IIBD Cc1ccc([C@@H](O)[C@H](C)NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cc1 804470706 CDJHYKXVELFQGB-QFYYESIMSA-N 427.682 4.171 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)c1ccc(Oc2cccnc2)cc1 808326407 XNZYIPOUOVOKAS-AWEZNQCLSA-N 431.445 4.269 5 20 IIBD COCc1nc(Cc2noc(-c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)n2)cs1 809536592 PNXFVBVAIPNDGL-UHFFFAOYSA-N 429.502 4.075 5 20 IIBD Cc1ccc(C(C)(C)CN(C)C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1 810368654 CXXRINKBGSGTDN-UHFFFAOYSA-N 448.317 4.040 5 20 IIBD CCN(CC)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 812831998 PFRAIYPEPKBVMC-KRWDZBQOSA-N 438.311 4.111 5 20 IIBD CN(c1ccccc1)c1ccc(CNc2ccc([C@H]3CC(=O)NC(=O)N3)cc2)cc1[N+](=O)[O-] 864045193 QMSBIHRFSIHUQP-HXUWFJFHSA-N 445.479 4.245 5 20 IIBD O=C1C[C@@H](C(=O)N(Cc2cccc(F)c2)C2CCCC2)CN1c1ccc(F)c([N+](=O)[O-])c1 914517972 MYZLAXRPSNJTNW-MRXNPFEDSA-N 443.450 4.197 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@H](c1ccc(F)cc1)c1cccs1 915738022 YIHABVXLBDSVHW-QGZVFWFLSA-N 433.848 4.293 5 20 IIBD CC1CCC(NS(=O)(=O)c2ccc(NCc3ccc(Cl)nc3)c([N+](=O)[O-])c2)CC1 917089974 RFYMLXGWAVPRCT-UHFFFAOYSA-N 438.937 4.112 5 20 IIBD Cc1cc2occ(CC(=O)NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C)c2cc1C(C)C 917443787 KUWJLBGBFBROTK-UHFFFAOYSA-N 430.482 4.129 5 20 IIBD CC[C@@H]1c2ccsc2CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 917863381 PDQJCQYRWNKLQE-CYBMUJFWSA-N 431.333 4.117 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)c1cc2c(F)cccc2[nH]1)c1cccc([N+](=O)[O-])c1 918633476 NWKNRGJJRLHWQS-INIZCTEOSA-N 439.443 4.457 5 20 IIBD O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1 919962110 XEWNNFBVCQZZFZ-UHFFFAOYSA-N 430.392 4.217 5 20 IIBD C[C@H](OC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1)c1cccc([N+](=O)[O-])c1 920159907 UEOHLMPDHNSZQQ-CPOQMQJTSA-N 431.408 4.144 5 20 IIBD CCc1ccc([C@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c2cccc(F)c2)cc1 1317922465 HNRKTUIJEJMVDO-QHCPKHFHSA-N 445.454 4.396 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(F)ccc1NC(=O)OC(C)(C)C 1318521255 SICXZCYFWQWZNH-UHFFFAOYSA-N 425.438 4.190 5 20 IIBD Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cs1 1318703335 YHJXJBCYUCLSRM-UHFFFAOYSA-N 431.477 4.415 5 20 IIBD O=C([C@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1)N1Cc2ccc([N+](=O)[O-])cc2C1 1318866103 OXMNZLAGBAKQNG-FQEVSTJZSA-N 439.471 4.061 5 20 IIBD C[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 1319560987 XREGZNSWOGYYME-IIBYNOLFSA-N 439.512 4.382 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1ccnc(Cc2ccccc2)n1 1320891716 BGGVSFOVBSHZIS-UHFFFAOYSA-N 431.374 4.316 5 20 IIBD Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 1321582613 HHVPOYDCAJEGCG-HXUWFJFHSA-N 425.485 4.054 5 20 IIBD CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1cc(F)cc(F)c1 1321810378 MQFBNLATWVMPGB-UHFFFAOYSA-N 431.443 4.195 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)NC1(c2ccc(NC(=O)c3ccc[nH]3)cc2)CCC1 1789681694 IKNJEZSWNSNOAR-UHFFFAOYSA-N 432.480 4.303 5 20 IIBD Cc1cccc(F)c1C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1 1790188483 WFVPKPZUBWWLCW-UHFFFAOYSA-N 436.443 4.432 5 20 IIBD CC(F)(F)C(=O)NC1(c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3F)cc2)CCC1 1791184447 UUWSEHSPDWLEGB-UHFFFAOYSA-N 435.402 4.066 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2ccoc2c1)c1ccc([N+](=O)[O-])cc1F 1800986785 AXCLOFBKDWSEIE-BJWYYQGGSA-N 437.427 4.046 5 20 IIBD C[C@H]1CC[C@H](C(=O)N2CCC3(CCCN(C(=O)/C=C/c4ccc([N+](=O)[O-])o4)C3)CC2)CC1 1805685259 FTLQXUJTNMNDJO-GHKCGAFKSA-N 443.544 4.259 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2C2CC2)CC1 1824073531 YECKFMJTAMELLO-URVUXULASA-N 443.519 4.013 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2cccs2)CC1 1827073606 TYJSCAOYAIMJLI-IWHGQQBYSA-N 443.525 4.196 5 20 IIBD Cc1c(Cl)cccc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=C/c1ccccc1[N+](=O)[O-] 1847367498 UYSIUOWQGVGGTM-FUCIWNSQSA-N 439.899 4.085 5 20 IIBD C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2csc(-c3ccc(Cl)cc3)n2)C1=O 10536752 PFQJRKBVBBDXFH-HXUWFJFHSA-N 442.884 4.339 5 20 IIBD C[C@@H](OC(=O)c1ccc(Cl)cc1N)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 10731490 QSGCCBZVZWMTHL-MRVPVSSYSA-N 431.754 4.033 5 20 IIBD C[C@@H](OC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 11493606 LMHVXQMNZFTJDF-SNVBAGLBSA-N 449.250 4.476 5 20 IIBD C[C@@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cc(F)c(Cl)cc1Cl 14575766 MZUIYMVQJBELMR-MRVPVSSYSA-N 446.287 4.109 5 20 IIBD CCOC(=O)C1=C(C)N(Cc2cccs2)C(=O)N[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 16494865 GQVIPDWVCRPNBQ-QGZVFWFLSA-N 435.889 4.413 5 20 IIBD O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 17231876 BZZCTEXACGQGHE-UHFFFAOYSA-N 439.472 4.009 5 20 IIBD Cc1nc(-c2cccs2)c(CC(=O)O[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)s1 22104216 CHSBPECUKZJTEL-JTQLQIEISA-N 449.485 4.340 5 20 IIBD Cc1ccc(C2=NN(C(=O)COC(=O)c3c(C)cccc3[N+](=O)[O-])[C@@H](c3ccco3)C2)cc1 26117809 FTFQYVWRSBIUHF-HXUWFJFHSA-N 447.447 4.339 5 20 IIBD COc1ccc([C@H](CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)N2CCCCC2)cc1 27667918 LLZPROMOYISJCD-JTSKRJEESA-N 443.569 4.427 5 20 IIBD CCOc1ccc([C@@H](NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c2ccccc2)cc1 30420717 GAKDPWODLQGYCN-QFIPXVFZSA-N 442.493 4.070 5 20 IIBD CC(C)CCSc1ccc(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1[N+](=O)[O-] 31035950 GDZNFPYKSHSTRV-UHFFFAOYSA-N 445.541 4.361 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)cc([N+](=O)[O-])c1 31967449 KGCLQXILYQYVAF-UHFFFAOYSA-N 448.357 4.228 5 20 IIBD O=C(NCc1cccc(N2CCCC2=O)c1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 32310956 OCZANUNYFBGRDQ-UHFFFAOYSA-N 444.491 4.264 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(OCc2coc(-c3ccc(Br)cc3)n2)c1 63846762 DVDQVYYIAYVFGH-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD COc1cc(OCC(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)ccc1[N+](=O)[O-] 65043463 UYMILDPIHRQWQD-UHFFFAOYSA-N 427.284 4.383 5 20 IIBD COc1cccc(CCC(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)c1OC 106187468 BBYZVCUBFQFRBZ-UHFFFAOYSA-N 426.391 4.136 5 20 IIBD CCn1c2ccccc2c2cc(NC(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)ccc21 109024297 IMBGJAOPQQAKTB-UHFFFAOYSA-N 437.477 4.378 5 20 IIBD CCN(CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1)c1ccco1 109302733 SKQPUCXSJBMSPV-NRFANRHFSA-N 428.533 4.237 5 20 IIBD CC(C)c1nc(CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)no1 111203495 KHUNNGYJSZZIKO-UHFFFAOYSA-N 436.877 4.150 5 20 IIBD COc1cc(CCNC(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)c([N+](=O)[O-])cc1OC 217474479 KNQAQWNZHHOXOW-CABCVRRESA-N 438.402 4.093 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 218954790 CHODXYCLPWUDHY-UHFFFAOYSA-N 425.438 4.030 5 20 IIBD CC1CCC(NS(=O)(=O)c2ccc(N3CCC[C@@H]3c3ccncc3)c([N+](=O)[O-])c2)CC1 301917149 JIWAXANPLIGOQA-OUNSHVDWSA-N 444.557 4.188 5 20 IIBD CN(Cc1ccccc1)CC1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 303126475 BEQDOBJCYCTUBO-UHFFFAOYSA-N 430.936 4.031 5 20 IIBD COc1cc(F)c([C@@H](C)NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1OC 303615268 ZRUFKAMGLAYJNW-OAHLLOKOSA-N 434.467 4.188 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1 427118595 ZGBMZGMMFLOPKZ-UHFFFAOYSA-N 441.875 4.494 5 20 IIBD CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)C1 427346408 VLGGPTVKIIJHEL-XYIGVYLGSA-N 446.525 4.205 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)CCC2)c1ccccc1[N+](=O)[O-] 428763786 KLUWOFSRRJVBTB-LJQANCHMSA-N 439.468 4.318 5 20 IIBD C[C@H](CNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)CC(=O)O 431816283 VDPRBLAADYFVMP-HNDQUVLASA-N 439.493 4.362 5 20 IIBD COc1cc(OC)cc([C@H](N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c2nccn2C)c1 433138450 XWGFILJUACXAIR-VXKWHMMOSA-N 436.512 4.447 5 20 IIBD COCCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@@H](C)c1cccc(C(F)(F)F)c1 434188758 YTNJKMWSYUHQRL-LBPRGKRZSA-N 428.411 4.310 5 20 IIBD Cc1ccc(-c2[nH]nc(NC(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)c2C)o1 434436242 DJCSJTSJMFJVLX-UHFFFAOYSA-N 431.452 5.059 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(Cn2cccc(Br)c2=O)cc1OC 434649292 WINOKSDIRASCSY-LBPRGKRZSA-N 425.279 4.001 5 20 IIBD O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 435513934 FVYCWWYRVYYWHB-QFIPXVFZSA-N 439.443 4.049 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)c1ccc(OCc2ccccc2)cc1 436175778 GXRDEEXZSZXPPH-UHFFFAOYSA-N 428.466 4.008 5 20 IIBD CCn1c(CCNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)nc2ccccc21 436252672 MKCSQIIOADQREY-UHFFFAOYSA-N 446.457 4.302 5 20 IIBD O=C(Nc1cc(Cl)ccc1O)C1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 436320746 WNCYTKSFJCXLRT-UHFFFAOYSA-N 444.797 4.223 5 20 IIBD CC(C)[C@H]1CN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CCS1 437196579 HXHBYDGBTUOYHC-OAHLLOKOSA-N 429.329 4.301 5 20 IIBD Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 437348771 QVRQKFSMBZGWOU-INIZCTEOSA-N 439.415 4.076 5 20 IIBD Cc1nc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)ccc1[N+](=O)[O-] 440408824 MAUGFNAZSNIWQE-UHFFFAOYSA-N 443.813 4.221 5 20 IIBD CC(=O)N[C@H](C)C1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 442745183 IVXSZNIVTHQJOI-OAHLLOKOSA-N 427.526 4.123 5 20 IIBD Cc1cnc(N2CCC[C@H]2c2nc(-c3ccccc3Br)no2)c([N+](=O)[O-])c1 443504609 WUNYMPVQOGHUQA-AWEZNQCLSA-N 430.262 4.452 5 20 IIBD COc1cc(C(=O)N2c3ccccc3OC[C@H]2C)c([N+](=O)[O-])cc1OCc1cscn1 443943116 CVLHSEAIPBZFOR-CYBMUJFWSA-N 441.465 4.067 5 20 IIBD CO[C@H](C)c1nc(CN2CCCN(C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CC2)cs1 443946896 MRYDWYUFSIQFHO-MRXNPFEDSA-N 447.561 4.115 5 20 IIBD CCOc1c(Cl)cc(CNC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1OC 445186674 SHNTXOKIKPHGSB-UHFFFAOYSA-N 449.710 4.410 5 20 IIBD CCn1cc(S(=O)(=O)N(c2ccccc2)[C@@H](C)c2ccc(Cl)cc2)c([N+](=O)[O-])n1 446961004 SWWXXOFPQILVGF-AWEZNQCLSA-N 434.905 4.421 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](c2ccccc2Cl)OC[C@@H]1C 460229928 FIGUDYIHOQGNBR-LIRRHRJNSA-N 427.892 4.493 5 20 IIBD C[C@H](Cc1ccccc1Cl)C(=O)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 460338516 KDNZRJUDKSQXAD-OAHLLOKOSA-N 441.919 4.042 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N(Cc2cccc(F)c2)C(C)(C)C)cc1[N+](=O)[O-] 460460793 OIIOCRZTICHKGT-UHFFFAOYSA-N 443.504 4.455 5 20 IIBD Cc1[nH]nc(C(=O)N[C@@](C)(Cc2cccc(Br)c2)c2ccccc2)c1[N+](=O)[O-] 461029697 RZXGFQCHVRXTEW-FQEVSTJZSA-N 443.301 4.277 5 20 IIBD Cc1cccc(N2CCN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])CC2)c1C 462446380 QBKKGZLQRAXPMB-UHFFFAOYSA-N 444.340 4.029 5 20 IIBD CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)c1 462629539 URXFBFBEXZHCGS-QFBILLFUSA-N 447.557 4.020 5 20 IIBD COc1ccc(-c2ccc(CN[C@@H]3CC(=O)N([C@H]4C[C@H]4c4ccccc4)C3)o2)c([N+](=O)[O-])c1 462757674 RGQUHUCAGHNDPJ-WTNAPCKOSA-N 447.491 4.110 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(F)cc2F)c2ncccc12 464204499 KUMXDUBPZUPVDJ-KRWDZBQOSA-N 433.436 4.337 5 20 IIBD CN(Cc1cc(Br)ccc1F)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl 467212950 AXRSSEUEONKTOY-UHFFFAOYSA-N 430.661 4.491 5 20 IIBD CS[C@@H](CO)[C@H](C)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 467935529 OSIVOXJWZJKLQO-ZBEGNZNMSA-N 426.947 4.242 5 20 IIBD C[C@@H]1OCC[C@]12CN(C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)CCO2 470666343 FYSFGPCZKGKMSJ-QKKBWIMNSA-N 448.928 4.419 5 20 IIBD CC1CCN(c2ccc(C(=O)NC[C@H]3CCN(Cc4ccccc4)C3)cc2[N+](=O)[O-])CC1 471284916 ARXMPGKFPUYLON-OAQYLSRUSA-N 436.556 4.083 5 20 IIBD CCOC(=O)C[C@@H](C)NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 473076441 XCQNIIUOSMHKCW-GFCCVEGCSA-N 436.848 4.121 5 20 IIBD CS(=O)(=O)c1cccc(NCc2nc(-c3cc4ccccc4o3)cs2)c1[N+](=O)[O-] 475733325 KNNORGYLNBMYQB-UHFFFAOYSA-N 429.479 4.480 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3cnn(C(CC)CC)c3CC)CC2)ccc1[N+](=O)[O-] 477371268 GVCGNNDXLUGDDW-UHFFFAOYSA-N 443.548 4.076 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 477653807 ZRLDXOAWQGDWCG-UHFFFAOYSA-N 448.300 4.167 5 20 IIBD CC(=O)Nc1sc(NC(=O)CCNc2ccccc2[N+](=O)[O-])nc1-c1ccccc1 479353088 XYTPWXNTWAAXEJ-UHFFFAOYSA-N 425.470 4.117 5 20 IIBD CC(C)COC[C@H](O)CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 480016379 NMGSNOPSKFHCPQ-MRXNPFEDSA-N 438.933 4.163 5 20 IIBD CCOc1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC 481338391 IYFWEMDRWBJGPH-AWEZNQCLSA-N 441.513 4.391 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1n[nH]c(-c2ccccc2)c1Br 482937934 AZVBQOPXNLHJMZ-UHFFFAOYSA-N 449.692 4.373 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2cc(C(N)=O)oc2C)cs1 486805941 SFPUOBPSQCYZLM-UHFFFAOYSA-N 432.483 4.083 5 20 IIBD COc1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)c2ccccc2)cc1Br 487476125 RBHYZYIZBQKGBM-SFHVURJKSA-N 430.258 4.213 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 487885847 HWUKWHUGJJOYHX-UHFFFAOYSA-N 445.397 4.120 5 20 IIBD CCOc1cc(Br)ccc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 489169258 HHTHMYTVPPULCP-UHFFFAOYSA-N 431.246 4.194 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)NCCC(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] 489276791 KBAKUXFLHBQSFG-CYBMUJFWSA-N 449.305 4.055 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N[C@@H]2CCN(c3ccccc3OC(F)F)C2)cc1[N+](=O)[O-] 489555713 RZFPILRNSABWPV-GDBMZVCRSA-N 434.443 4.144 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccccc2-c2nc(C(C)(C)C)no2)c(C)c([N+](=O)[O-])c1 489738387 CHGDXDKQTGTVKG-UHFFFAOYSA-N 438.440 4.290 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 490543598 KKOKCEFSBPEYID-HXUWFJFHSA-N 429.904 4.194 5 20 IIBD CCCN(Cc1c(F)cccc1Cl)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 499529769 MJGXHMJWZPDZCN-UHFFFAOYSA-N 439.896 4.017 5 20 IIBD Cc1ccc(C(=O)C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)cc1 500737957 MLWFUTAGMLTFBZ-UHFFFAOYSA-N 449.532 4.159 5 20 IIBD Cc1c(C(=O)N(C)[C@H](C)c2ccccc2Br)nnn1-c1cccc([N+](=O)[O-])c1 503654015 INTDYGYROVULNH-GFCCVEGCSA-N 444.289 4.080 5 20 IIBD Cc1ccc(NC(=O)Cc2noc(-c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)n2)cc1 504361328 CRKNFEMIFVOHGH-UHFFFAOYSA-N 435.484 4.371 5 20 IIBD O=[N+]([O-])c1cc(CN(C2CC2)[C@@H]2CCS(=O)(=O)C2)ccc1Oc1ccccc1Cl 507299038 LKBJFARAXQUSNK-MRXNPFEDSA-N 436.917 4.192 5 20 IIBD Cc1ccccc1CN(C)C(=O)COc1c([N+](=O)[O-])cnc2ccc(Br)cc12 508164988 RHGZKCVBBWGSSE-UHFFFAOYSA-N 444.285 4.251 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(S(=O)(=O)NCC2CC2)cc1 509135751 GBUMQGIGIDACMW-UHFFFAOYSA-N 449.554 4.038 5 20 IIBD CC1(c2nc3ccccc3s2)CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 509155313 UARGJKFHFJSODM-UHFFFAOYSA-N 431.539 4.088 5 20 IIBD Cc1c(Br)cc(C(=O)NC2CCN(CCc3ccccc3)CC2)cc1[N+](=O)[O-] 509648350 IILYLDLKEFBXFW-UHFFFAOYSA-N 446.345 4.103 5 20 IIBD O=C(NCC1(c2ccc(Br)cc2)CCOCC1)Nc1ccc([N+](=O)[O-])cc1 510113221 ODLCFGCGCRIZHL-UHFFFAOYSA-N 434.290 4.227 5 20 IIBD C[C@@H]1CN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2cccc([N+](=O)[O-])c2)CCC3)C[C@H]1O 512083993 NINJMMKEGWHQJZ-OULPAXMSSA-N 443.503 4.473 5 20 IIBD CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]2CCCC[C@H]12 513073995 FQVCAOKZMBWGDJ-LOUMZVKCSA-N 445.560 4.145 5 20 IIBD C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 515479194 ALMWEOLTKSMCRW-SFHVURJKSA-N 431.492 4.407 5 20 IIBD Cc1[nH]nc(C(=O)N2CCCc3c(NC(=O)Nc4ccccc4F)cccc32)c1[N+](=O)[O-] 517699251 MVKOTLSVLLYMKT-UHFFFAOYSA-N 438.419 4.002 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CCC[C@@H]2c2ccc(F)cc2)c1 518704338 HJSDLWPVAPSMPR-MRXNPFEDSA-N 429.267 4.022 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1NC(=O)c1ccncc1 520744729 LSTBZDBVDMTZEK-UHFFFAOYSA-N 431.452 4.377 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N[C@H]2C[C@@H]2c2cccc(Br)c2)c([N+](=O)[O-])c1 520755393 MYXULXNJJIYJAQ-WBVHZDCISA-N 441.285 4.290 5 20 IIBD COc1cccc(C2(CNC(=O)CSCc3ccc(OC)c([N+](=O)[O-])c3)CCCC2)c1 521729592 KGPQSLMFEUZWBW-UHFFFAOYSA-N 444.553 4.473 5 20 IIBD CC(C)N(Cc1ccc(Br)cc1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 521902617 FVGPJJUWPGPYSO-UHFFFAOYSA-N 436.306 4.356 5 20 IIBD COc1ccccc1OCC(=O)Nc1cccc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])c1 524727712 JVWQGLSHTLVVBG-UHFFFAOYSA-N 435.436 4.182 5 20 IIBD COc1cccc(NC2CCN(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)CC2)c1 525355280 XWJJNGIMULEFSX-UHFFFAOYSA-N 426.517 4.212 5 20 IIBD CC(=O)N[C@@H](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(F)cc1F 525519449 TVEZLLRIVPKQFF-KRWDZBQOSA-N 446.435 4.203 5 20 IIBD CS(=O)(=O)c1cccc([C@@H](NCc2ccc([N+](=O)[O-])cc2)c2cc(F)ccc2F)c1 525689786 HGYXMJWMVAUIPM-OAQYLSRUSA-N 432.448 4.156 5 20 IIBD O=C(c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CCCC12CCCCC2 534043017 VIXYAURTTMTTKR-UHFFFAOYSA-N 443.525 4.335 5 20 IIBD O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1cccc([N+](=O)[O-])c1N1CCOCC1 537345914 PZYZVPDOGBBRNJ-UHFFFAOYSA-N 438.415 4.010 5 20 IIBD CCN(CCC1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1)CC1CC1 537831973 QEYFJZCOYGIBBM-MRXNPFEDSA-N 437.968 4.376 5 20 IIBD COc1ccccc1OCc1ccc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])o1 538695912 KPTAEFWPIYLMBW-UHFFFAOYSA-N 430.844 4.401 5 20 IIBD Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)Nc1cc([N+](=O)[O-])ccc1O 538870568 NLPPFIYGMJJSJG-UHFFFAOYSA-N 445.273 4.177 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCC(=O)Nc1ccc(Br)cc1 539843513 AYOLPJMUPFLGSV-UHFFFAOYSA-N 434.290 4.041 5 20 IIBD COc1cc(CN2CC[C@@H]3[C@@H](CCCN3C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 539899872 XYUZOULNYPOBOC-PZJWPPBQSA-N 425.529 4.099 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](Cc1ccccc1)c1sccc1C 541595165 LRXJDBOIVUVAEL-IBGZPJMESA-N 425.510 4.485 5 20 IIBD COc1cc(CN[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OCC(F)F 542689466 FRCLXZBCJSMGOQ-WMZOPIPTSA-N 440.418 4.396 5 20 IIBD CCOc1ccc(NC(=O)CN[C@@H](C)c2oc3ccc(OC)cc3c2C)c([N+](=O)[O-])c1 544483279 WGWKZCRSPKAPKB-AWEZNQCLSA-N 427.457 4.346 5 20 IIBD O=C(C1CCC(c2ccccc2)CC1)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 544685595 LAVPAWZWEQWTRV-UHFFFAOYSA-N 447.539 4.484 5 20 IIBD C[C@H](CNC(=O)c1ccccc1)c1noc([C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n1 545037393 FSCFDAVSNQRDLL-CHWSQXEVSA-N 430.848 4.305 5 20 IIBD COc1ccc(COc2ccc(-c3noc(Cc4ccc(OC)c([N+](=O)[O-])c4)n3)cn2)cc1 545653651 BKJXNWIMKIKBLL-UHFFFAOYSA-N 448.435 4.227 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1OCCc1nc(Cc2ccc(C(F)(F)F)cn2)no1 546300860 UCMBAPQDBRCRIP-UHFFFAOYSA-N 428.754 4.257 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccccc2N2CCOCC2)no1 546322352 FIVQUTWFSUZOIW-ZDUSSCGKSA-N 430.848 4.275 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(NC(=O)c2ccc3nc[nH]c3c2)c1 549144836 JVVXHYOPXCMSAZ-UHFFFAOYSA-N 443.463 4.038 5 20 IIBD O=C1N[C@@]2(CCc3cc(Cl)ccc32)C(=O)N1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F 549374829 YUSHCPJJWQXCOP-GOSISDBHSA-N 439.777 4.161 5 20 IIBD COCC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1)c1ccc(Cl)c(Cl)c1 551333012 SFHPUIBCEQEQMI-MRXNPFEDSA-N 443.283 4.183 5 20 IIBD CCOC1(C)CCN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CC1 552980954 VXFPQZKBXLHHCV-UHFFFAOYSA-N 427.288 4.119 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 553693859 FWVDXFVOYJADPV-UTKZUKDTSA-N 448.926 4.264 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC(OCC2CCCC2)CC1 559549145 OVRXUJLNKQJDIH-UHFFFAOYSA-N 425.323 4.477 5 20 IIBD CC(C)Oc1ccccc1[C@@H](C)NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 561293758 KEWSGDNOMPFGCM-OAHLLOKOSA-N 427.501 4.495 5 20 IIBD Nc1ccc(-c2noc(C3CCC(NC(=O)CC4CCCCC4)CC3)n2)cc1[N+](=O)[O-] 563653496 AHVSEEKPJFCTKZ-UHFFFAOYSA-N 427.505 4.340 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 573144527 KZQRNLLGYHDFDD-GOSISDBHSA-N 435.402 4.382 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](Cc1ccccc1)c1ccc(OC)cc1 573257976 RRIUCWXOSLKUKU-QFIPXVFZSA-N 447.491 4.205 5 20 IIBD Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 580737841 NMFHQHHWGBTNJP-IBGZPJMESA-N 449.429 4.204 5 20 IIBD CC(C)(C)c1cnc(CCc2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)o1 581573674 HUSJZDSYGIWVCR-UHFFFAOYSA-N 435.278 4.402 5 20 IIBD CC[C@@H](C)c1ccc(N(Cc2nc(C)no2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 583401863 FOESMQPYTOEUNH-CQSZACIVSA-N 430.486 4.195 5 20 IIBD O=[N+]([O-])c1cc(F)ccc1NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 603866619 DTPGOAJKILLTEB-UHFFFAOYSA-N 425.439 4.207 5 20 IIBD CCCNC(=O)c1cccc(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 603909836 UEBHQUIXNXTUAB-UHFFFAOYSA-N 446.507 4.277 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)ccc1C 603976964 NJVGKEPZVCCVNC-GASCZTMLSA-N 425.485 4.282 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@@H](CC(F)(F)F)c1ccccc1 604009677 ZNRBJLSOESROOP-HNNXBMFYSA-N 437.374 4.093 5 20 IIBD Cc1nnc(SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])n1CCc1cccs1 609009222 MXDJSYDEOAXOAV-UHFFFAOYSA-N 437.934 4.183 5 20 IIBD O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609547350 JSFDSQUPZMPDEP-UHFFFAOYSA-N 434.433 4.159 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(-c2cn3ccc(C)cc3n2)cc1 609720359 OKQZMAFFBZLHFP-UHFFFAOYSA-N 438.465 4.027 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)cc2[N+](=O)[O-])n1 610398758 MXURWWSRLJSDJV-QMTHXVAHSA-N 447.460 4.303 5 20 IIBD COc1ccc(CSCC(=O)N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] 610598258 ZLXQRVGQLYRWSL-QWRGUYRKSA-N 446.369 4.036 5 20 IIBD CC(C)(C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1)c1ccc([N+](=O)[O-])cc1 610881220 KSXOSFGSCKQORB-UHFFFAOYSA-N 445.903 4.109 5 20 IIBD O=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1ccc([N+](=O)[O-])c2cccnc12 611223229 LGSVRRDPHYKLFP-AWEZNQCLSA-N 430.386 4.171 5 20 IIBD CC1CCN(Cc2ccc(-c3noc([C@@H](C)NC(=O)c4cccc([N+](=O)[O-])c4)n3)cc2)CC1 612896913 CQHITVAGOBGWBK-QGZVFWFLSA-N 449.511 4.368 5 20 IIBD CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 729558314 IGHHTCPYUXCASP-CYBMUJFWSA-N 444.435 4.059 5 20 IIBD COc1ccc(CCNC(=O)c2ccccc2N(C)C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 731880928 ZQMHCHSFCBQAHS-UHFFFAOYSA-N 447.491 4.161 5 20 IIBD CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] 732009626 KNWGKYNYGNCYMT-HNAYVOBHSA-N 440.468 4.195 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@H]1C[C@H]1c1cccc(Br)c1 732030836 SYQNTEMAFUAGDO-JSGCOSHPSA-N 447.257 4.322 5 20 IIBD O=C(N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)C1(c2cccc(F)c2)CC1 734323510 HQPJQZCTLPHWKE-UHFFFAOYSA-N 437.393 4.133 5 20 IIBD C[C@@H](Sc1ncccc1C(=O)OCc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCCC1 734781248 VLYKARBYTIMWRE-CYBMUJFWSA-N 449.916 4.103 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(CS(=O)(=O)Cc2nc(-c3cccc(Cl)c3)no2)c1 735563531 VPAHMWGSRABQHL-UHFFFAOYSA-N 428.253 4.067 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)Nc1ccc(-n2nccn2)cc1C(F)(F)F 740439328 FYTOHZWPTFHQSX-UHFFFAOYSA-N 448.405 4.339 5 20 IIBD Nc1cc(F)c(Oc2ccc(F)cc2)cc1C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] 740985195 GQMRLOPRXLKGHN-UHFFFAOYSA-N 443.362 4.043 5 20 IIBD Cc1c(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2Cl)cnn1-c1ccc(Cl)cc1 742267572 HKRAYPREHJPVBI-UHFFFAOYSA-N 428.253 4.163 5 20 IIBD CCN(CC)c1ccc(N(Cc2cccs2)S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 742292152 DEFIFZKYFRSEKY-UHFFFAOYSA-N 446.554 4.293 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2C[C@H](n3cccn3)Cc3ccccc32)CC1 744374087 LVWRQDKAHRIVAE-OAQYLSRUSA-N 445.523 4.472 5 20 IIBD Cc1c(C(=O)Nc2ccc(OCCN3CC[C@H](C)C3)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 744743803 WFTZVQBQFGOKKM-AWEZNQCLSA-N 442.472 4.093 5 20 IIBD COc1ccc(COC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-] 745109920 DMILNIUTMPRPNB-UHFFFAOYSA-N 433.770 4.216 5 20 IIBD O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 745747154 PMYCBHQDVZYNFB-OAHLLOKOSA-N 438.223 4.119 5 20 IIBD CC1=C(C(=O)N(C)C)[C@@H](c2cc(Cl)ccc2[N+](=O)[O-])NC(=S)N1c1cccc(F)c1 747959378 IITYANHRNXCCNQ-GOSISDBHSA-N 448.907 4.185 5 20 IIBD C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)c2ccccc2N(Cc2ccccc2)C1=O 750110256 ZVXMAHIWPFHUHK-KOSHJBKYSA-N 431.492 4.318 5 20 IIBD COc1cc(/C=C/c2ncc(/C=C/C(=O)O)s2)c([N+](=O)[O-])cc1OCC(F)(F)F 751041707 ZSVHXWBSLWMXRD-ZUVMSYQZSA-N 430.360 4.269 5 20 IIBD COC(=O)c1ccc(OC(C)C)c(NC(=O)c2cc([N+](=O)[O-])ccc2Br)c1 751113544 KUOOTRHTWRALMH-UHFFFAOYSA-N 437.246 4.183 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] 751416677 IYWWEQUKFXMZQA-ROUUACIJSA-N 447.532 4.144 5 20 IIBD O=C(/C=C/c1ccc2ccccc2n1)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 752179052 WTSDCCKCYUIPDY-JKIKYLSZSA-N 431.448 4.004 5 20 IIBD Cc1c(Br)cc(C(=O)OCc2nc([C@@H](C)OCC(C)C)no2)cc1[N+](=O)[O-] 753429652 CCISUBHQJXAPDP-LLVKDONJSA-N 442.266 4.139 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ccc3cccnn23)cc1)c1cc([N+](=O)[O-])ccc1Cl 753483642 KBERPMBQZCRUCJ-UHFFFAOYSA-N 436.811 4.367 5 20 IIBD C[C@H]1CCCCN1C[C@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 755006821 GPTYLZJDSMDECR-UONOGXRCSA-N 442.329 4.223 5 20 IIBD CC(C)(C)OC(=O)N1CCC(n2cc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cn2)CC1 756228497 MRCIUUAAZMYVCX-UHFFFAOYSA-N 449.895 4.269 5 20 IIBD CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 759105797 BQLJNWVJNWGRSC-JOCHJYFZSA-N 432.521 4.064 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 759292618 UOWZHKAGFWJOHU-OAHLLOKOSA-N 439.493 4.438 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl 760157539 AEXIHFXWCFUUMQ-KRWDZBQOSA-N 449.939 4.464 5 20 IIBD NC(=O)c1c(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)sc2c1-c1ccccc1CCC2 763467487 RWEFTTDFHYPNBF-UHFFFAOYSA-N 443.431 4.441 5 20 IIBD CCOC(=O)CN(C(=O)c1cc(F)c([N+](=O)[O-])cc1F)c1cc(Cl)cc(Cl)c1 763512794 TTWITNJRVYKZLS-UHFFFAOYSA-N 433.194 4.390 5 20 IIBD C[C@H]1[C@H](C(F)(F)F)OC(=O)N1c1ncccc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 764311673 RAVYIYJVGXDOQJ-ISVAXAHUSA-N 444.753 4.172 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(Cc2cccc3cccnc23)CC1 765370730 UOHLFOGOHWWPFI-FQEVSTJZSA-N 432.524 4.056 5 20 IIBD Cc1ccc(NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC2)cc1Cl 765472397 OTTGGKNTOSSUHQ-UHFFFAOYSA-N 437.283 4.200 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(N2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1Cl 765490067 OXKQMSKAVWGIAO-UHFFFAOYSA-N 435.839 4.029 5 20 IIBD C[C@H](OC(=O)CSc1cccc(Br)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 767025178 VTMRDVTWNCBCMY-NSHDSACASA-N 439.287 4.020 5 20 IIBD Cc1c(O)nc(S[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nc1-c1ccccc1 767439550 PRGXYYJWVOFCJF-LBPRGKRZSA-N 428.445 4.324 5 20 IIBD CCOc1c(Cl)cc(NC(=O)C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc1Cl 768196434 DEUKYOBUTPLRPZ-UHFFFAOYSA-N 446.674 4.209 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1sc(N2CCCC2)nc1Cl 770330424 KNBWWRPUQKSEOA-UHFFFAOYSA-N 431.699 4.320 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 770991617 GORRCUDLPOGPLP-SFHVURJKSA-N 437.265 4.082 5 20 IIBD CCC(CC)n1ccc(COC(=O)c2cc([N+](=O)[O-])ccc2I)n1 771338520 ILAJOYBURHNGTP-UHFFFAOYSA-N 443.241 4.114 5 20 IIBD O=C(NC[C@@H]1CC1(Cl)Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 772473211 OAZCSVASDGOJAW-VIFPVBQESA-N 446.337 4.056 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H](c1ccc(Br)cc1)C(C)(C)[N+](=O)[O-] 774368411 KXNAXNNFRPDCEO-RISCZKNCSA-N 445.310 4.002 5 20 IIBD COCc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(COC)cc3)c([N+](=O)[O-])c2)cc1 774515344 VBDJOKSSWJVMLC-UHFFFAOYSA-N 449.463 4.392 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)c1ccc([N+](=O)[O-])cc1N1CCOC1=O 774517663 ICLJPAQWKUFULL-UHFFFAOYSA-N 439.447 4.150 5 20 IIBD O=C(c1cc(F)ccc1F)C1CCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 774633817 CWDNQZQBLPOOHM-UHFFFAOYSA-N 434.830 4.429 5 20 IIBD COc1cc(F)c([C@@H](C)N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OC 775416111 FFDCEXFORLUKSD-GHMZBOCLSA-N 425.844 4.082 5 20 IIBD O=C(CSc1nc2ccccc2c2nc3ccccc3n12)Nc1ccc2nc(O)[nH]c2c1 775515178 BBMHZYWSGLUDJT-UHFFFAOYSA-N 440.488 4.348 5 20 IIBD O=C(COC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)N[C@@H](c1ccccc1)C1CC1 781260220 OLTARQXZZXFCNV-DEOSSOPVSA-N 426.472 4.106 5 20 IIBD CN(c1ccccc1)c1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1[N+](=O)[O-] 787288852 OAXSGPPMCJIYRZ-UHFFFAOYSA-N 436.472 4.305 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N(Cc1cccs1)C[C@@H]1CCCO1 792804606 UKPGSHCZNXIZTM-LBPRGKRZSA-N 443.294 4.379 5 20 IIBD Cc1nn(CN2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)c2ncc([N+](=O)[O-])cc12 793587690 IRCNFAWJGZUEDA-SGTLLEGYSA-N 435.406 4.086 5 20 IIBD Cc1ccc([C@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c2ccccn2)cc1 795244725 UKZOLTHNLOXGSD-FQEVSTJZSA-N 431.901 4.328 5 20 IIBD Cc1nc(-c2ccc(Br)cc2)nn1CN(C)CCc1ccccc1[N+](=O)[O-] 795644748 OZTDDUVFRXFGDP-UHFFFAOYSA-N 430.306 4.056 5 20 IIBD Cc1nc(C)c([C@H](C)N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(Br)cc2C)s1 799769820 CUTLAIPYTYLBHF-JTQLQIEISA-N 448.364 4.121 5 20 IIBD COc1ccc(CN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)C2CC2)c(OC)c1 800858004 HILQOLBFTNPFPP-MRXNPFEDSA-N 437.500 4.129 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C[C@H](O)c1ccc(OCc2ccccc2)cc1 801567958 OJWZZZRODXQVOL-DEOSSOPVSA-N 434.492 4.298 5 20 IIBD C[C@H](CCCC(F)(F)F)NC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] 803201897 JLVZFDMLRCGCLW-SNVBAGLBSA-N 426.233 4.031 5 20 IIBD O=C(Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1)c1cc(F)ccc1[N+](=O)[O-] 804384478 XZXCBOSNZIMMNB-UHFFFAOYSA-N 428.323 4.403 5 20 IIBD C[C@@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Oc2cccnc2)cc1 807618775 PEVKNLCFAATVDA-GOSISDBHSA-N 447.495 4.375 5 20 IIBD COc1cc([N+](=O)[O-])ccc1-c1nc(CC(=O)Nc2ccc(SC(F)F)cc2)no1 809455920 HPMSPJUCCNQYHG-UHFFFAOYSA-N 436.396 4.149 5 20 IIBD O=[N+]([O-])c1ccc(-n2cc(-c3nc(-c4c(Cl)nc5cc(Cl)ccn45)no3)cn2)cc1 809532179 SIWTYJYYRYHEKI-UHFFFAOYSA-N 442.222 4.452 5 20 IIBD Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 810365703 MQMFBELWXCYTJK-KBPBESRZSA-N 446.301 4.009 5 20 IIBD Cc1c(C(=O)NC[C@H]2CCCCN(Cc3ccccc3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 812368839 BOKRDDGFPZMABE-LJQANCHMSA-N 440.500 4.152 5 20 IIBD COCCSc1ccc([C@@H](C)NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])cc1 815009659 JFXXODSTVSBWQR-LLVKDONJSA-N 448.925 4.165 5 20 IIBD CC(C)N(CCCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C(=O)OC(C)(C)C 815400266 DYKBXWCCXHPTQD-UHFFFAOYSA-N 433.427 4.379 5 20 IIBD COc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl 815407556 ZBEPZWJPZJMSHQ-SNVBAGLBSA-N 427.240 4.403 5 20 IIBD C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 815512165 KMCQJWQTSNVGFP-SNVBAGLBSA-N 446.328 4.268 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C(=O)N[C@H](C)c1ccc(F)cc1 815512515 YPHQMWWCJSOJDT-MNOVXSKESA-N 428.338 4.175 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CC[C@@H]21 816998033 DUKMFKTVOWBNPK-JTSKRJEESA-N 447.535 4.153 5 20 IIBD C[C@H](OC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 823081166 FRNBFCSFNTWWCH-HNNXBMFYSA-N 426.450 4.314 5 20 IIBD Cc1cccc(O[C@H](C)C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 848977140 IJTMJBVZNGBICM-CHWSQXEVSA-N 440.374 4.260 5 20 IIBD Cc1ccc(CNc2ccc(OCCN3C(=O)c4ccccc4C3=O)cc2)cc1[N+](=O)[O-] 864032351 NVVVTFPJNXTGLO-UHFFFAOYSA-N 431.448 4.190 5 20 IIBD O=C(NCCCn1ccnc1)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 912518041 NSWQIHOJMJIHCA-UHFFFAOYSA-N 447.539 4.071 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 914837416 IOMTXIBAXAJUAD-HNNXBMFYSA-N 437.279 4.497 5 20 IIBD C[C@H](OC(=O)c1nc(-c2ccccc2)n2c1CCCCC2)C(=O)Nc1ccccc1[N+](=O)[O-] 914915853 DCVWXNHYRGDPTA-INIZCTEOSA-N 448.479 4.369 5 20 IIBD C[C@@H](OC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C(=O)Nc1ccccc1-c1ccccc1 915525405 YJNHPGSKTVBBQX-MRXNPFEDSA-N 444.447 4.182 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@@H](C)Cc3ccccc3Cl)cc2)c(C)c1[N+](=O)[O-] 915608732 WCJGUGSBYMDZET-AWEZNQCLSA-N 426.904 4.471 5 20 IIBD CCOC(=O)[C@H](C)NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 920744783 IRMMPTSCHLCYQQ-QXPQOBGOSA-N 439.493 4.203 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCc3cc(C(C)(C)C)ccc3C2)cc1OC 1318009625 WDODZKYRDVIVEW-UHFFFAOYSA-N 442.512 4.125 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCC(Nc2ccccc2Cl)CC1 1318382968 LXIZIFDWGJZBMA-UHFFFAOYSA-N 445.875 4.325 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C)c(Cl)c2Cl)cc1OC 1319557070 OBBWZFPJHJJVMB-UHFFFAOYSA-N 429.256 4.496 5 20 IIBD COc1cccc(N2CCC(NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 1320145190 JMISAVKWNAHBPT-UHFFFAOYSA-N 435.933 4.134 5 20 IIBD Nc1c(C(=O)Nc2cccc(OCc3cscn3)c2)cc(Br)cc1[N+](=O)[O-] 1344690548 FXQISRAOCAJBEW-UHFFFAOYSA-N 449.286 4.227 5 20 IIBD CCCCCn1nc(-c2nnc(CCOc3ccccc3[N+](=O)[O-])o2)c2ccccc2c1=O 1349936245 XGZNMZFZMKVJMY-UHFFFAOYSA-N 449.467 4.166 5 20 IIBD Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4F)cc3)CCC2)nc1 1790622144 MHNWJVPUAIPPQR-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD C[C@H](Cc1ccco1)C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1 1791906790 AVDWPZBJBFSUMK-OAHLLOKOSA-N 437.452 4.407 5 20 IIBD CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc(C)c([N+](=O)[O-])c1)C2)c1ccccc1 1795457581 IYCYJOUKBMGNHH-BJESRGMDSA-N 449.551 4.278 5 20 IIBD CC(C)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)n[nH]1 1814969278 DOPZGBZGBCOAEY-LKUPDRCFSA-N 429.477 4.053 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CC=CCC2)[nH]n1)c1ccc([N+](=O)[O-])cc1F 1821051578 BNKJWWMUHPPJCI-LIRRHRJNSA-N 441.463 4.119 5 20 IIBD CCCCC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 1831467763 ZKPCFFFESMEABG-PXNSSMCTSA-N 432.565 4.373 5 20 IIBD CC1(C)CCC(CC(=O)N2CC3(CCCN3C(=O)Cc3cc([N+](=O)[O-])ccc3F)C2)CC1 1841877596 WORZDUSKABRJOK-UHFFFAOYSA-N 445.535 4.086 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C(=O)Nc1cccc(Cl)c1Cl 10016973 ALSNWDPTXMVTCP-JTQLQIEISA-N 426.256 4.152 5 20 IIBD CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCNc1ccccc1[N+](=O)[O-] 10886188 QCEDUEDAXAIWDO-UHFFFAOYSA-N 439.299 4.191 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cc(Cl)ccc1N1CCOCC1 11249777 NICHZKDJDMSHOI-UHFFFAOYSA-N 447.922 4.283 5 20 IIBD O=C(c1ccccc1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 25611614 WCHRXPYCHWQIBB-UHFFFAOYSA-N 447.516 4.344 5 20 IIBD O=C(COC(=O)/C=C\c1ccccc1[N+](=O)[O-])Nc1nc(-c2ccc(F)cc2)cs1 33693522 UOBWCWNXBSLMPC-YFHOEESVSA-N 427.413 4.053 5 20 IIBD CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)COc1ccccc1[N+](=O)[O-] 60450175 JRYKZCHBCDQBLP-UHFFFAOYSA-N 430.848 4.116 5 20 IIBD COc1cc(C(=O)Nc2nc(-c3cc(F)ccc3OC)cs2)c([N+](=O)[O-])cc1OC 60685369 ZTZKXJYLGMVJHG-UHFFFAOYSA-N 433.417 4.136 5 20 IIBD CCCCc1nc(-c2ccc(OCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])cc2)no1 63539078 BPCAJHYRCBZTBC-UHFFFAOYSA-N 426.429 4.014 5 20 IIBD Cc1cc(C)c(NC(=O)CN(C)C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c(C)c1 64723959 MKBNDNORQBPMCI-OAHLLOKOSA-N 433.892 4.038 5 20 IIBD O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 65124459 AFEDDLDTYHIMNJ-AWEZNQCLSA-N 426.473 4.114 5 20 IIBD O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 65124460 JMVBFPNMFSGQBI-AWEZNQCLSA-N 426.473 4.114 5 20 IIBD Cc1nc(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cs1 108245563 UUOMAARPTZKXEE-UHFFFAOYSA-N 433.493 4.071 5 20 IIBD C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 109274629 WBGJWMYYVODBLP-IRXDYDNUSA-N 447.495 4.151 5 20 IIBD COc1cc(CCNC(=O)N[C@H](C)CC(C)(C)c2ccccc2)c([N+](=O)[O-])cc1OC 195707918 OWBCIFMIZBIEMB-MRXNPFEDSA-N 429.517 4.210 5 20 IIBD COc1cc(CNCc2cn3cccc(C)c3n2)ccc1OCc1ccc([N+](=O)[O-])cc1 237293952 YGPUEBCUPQUTBF-UHFFFAOYSA-N 432.480 4.428 5 20 IIBD COc1ccc(C(=O)NCCNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 237448666 FKOUSDFQVGRUAU-UHFFFAOYSA-N 429.860 4.036 5 20 IIBD O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1 301070814 GYIGJBPLYUKAOX-UHFFFAOYSA-N 431.279 4.412 5 20 IIBD CN(C)C1CCN(c2ccc(Nc3ncc(Br)cc3[N+](=O)[O-])cc2F)CC1 301673861 GPUJXDWOFBBOJX-UHFFFAOYSA-N 438.301 4.165 5 20 IIBD CC(C)[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1ccc2c(c1)OCCO2 301716381 HCFDTMPFKIGVIW-JOCHJYFZSA-N 425.485 4.411 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])c1 301954399 JEMHXKISPSWUOC-XLIONFOSSA-N 444.850 4.294 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 303733095 ZXMNMSBACOILPM-LJQANCHMSA-N 445.435 4.266 5 20 IIBD CC1CCN(C[C@@H]2CCCN(C(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C2)CC1 426262081 CQKNPXYOWRTZPU-INIZCTEOSA-N 442.482 4.267 5 20 IIBD COC(=O)c1nc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)sc1C1CC1 429497527 XTKAPRSAKCMANY-UHFFFAOYSA-N 440.275 4.039 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)N1CCC[C@H]1CCO 430064223 ZBMGPFCLRVFFSE-AWEZNQCLSA-N 437.855 4.236 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@@H]2c3ccccc3CC[C@H]2C)cc(Br)cc1[N+](=O)[O-] 430347784 YAGBBABILGEVAO-ZMZPIMSZSA-N 446.301 4.044 5 20 IIBD O=C1c2ccccc2C(=O)N1c1ccc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 431115756 CGHGGSYFOZKNSD-UHFFFAOYSA-N 441.443 4.200 5 20 IIBD Cn1ccnc1[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 432208733 SUQOTYUDQSDGAS-MRXNPFEDSA-N 449.692 4.264 5 20 IIBD COC(=O)c1cccc(NC2CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC2)c1 434651984 YPVHOGNSCIXUJS-UHFFFAOYSA-N 439.512 4.396 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N(CCO)Cc1cccnc1 434916845 WQUVCSGDCKDQNZ-UHFFFAOYSA-N 427.844 4.070 5 20 IIBD CCOc1cc(C(=O)N[C@](C)(CC)COc2ncccc2Cl)c([N+](=O)[O-])cc1OC 435452321 HPRDRCBABJAUSW-HXUWFJFHSA-N 437.880 4.028 5 20 IIBD Cc1ccc([C@@H](CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)N2CCCC2)o1 436333498 JWSMQDOCPUYIMB-HXUWFJFHSA-N 433.483 4.289 5 20 IIBD CCS(=O)(=O)C1CCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 436447613 CCSXKHFTDLXQIL-UHFFFAOYSA-N 448.566 4.094 5 20 IIBD CCCCS(=O)(=O)Nc1ccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 437774414 NSNJLXSTGSWRBO-UHFFFAOYSA-N 446.529 4.333 5 20 IIBD Cc1c(CC(=O)Nc2ccc(I)cc2Cl)cccc1[N+](=O)[O-] 439045247 RTHOHXXRGPQOAS-UHFFFAOYSA-N 430.629 4.342 5 20 IIBD O=C(Nc1c(-c2cccnc2)nc2ccccn12)C1CCN(c2ccccc2[N+](=O)[O-])CC1 440415121 QBJUBPNBKOQGQC-UHFFFAOYSA-N 442.479 4.160 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(-c2cc3cc(C)ccc3o2)o1 443159988 NNUWTGLLIDZZDB-UHFFFAOYSA-N 428.426 4.063 5 20 IIBD CN(CC(=O)Nc1ccc(Br)cc1Br)c1ccccc1[N+](=O)[O-] 443814074 GQFUMMBVRHBXCY-UHFFFAOYSA-N 443.095 4.195 5 20 IIBD Cc1ccccc1[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@H](C)CO1 444185027 QJFAVUULNDKBHU-KUHUBIRLSA-N 448.317 4.066 5 20 IIBD O=C(NCC1CCN(CC(F)(F)F)CC1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 444401855 CRNBQRBFRFYSTN-UHFFFAOYSA-N 437.418 4.391 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N1CCN(c2ccc(Cl)cc2)CC1 445177909 JAOKQUZVFZNKNA-UHFFFAOYSA-N 430.711 4.035 5 20 IIBD O=c1c2cnn(-c3cccc(Cl)c3)c2ncn1Cc1ccc([N+](=O)[O-])cc1C(F)(F)F 448102445 KQELUVYTAKVDKG-UHFFFAOYSA-N 449.776 4.211 5 20 IIBD CC(C)N(C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1cnc2ccccc2c1 448459539 OMDMRRCPUAVYJM-UHFFFAOYSA-N 448.508 4.478 5 20 IIBD CCN(Cc1ccc(OC)cc1OC)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 462518845 SJLQCSTXAOPBEC-UHFFFAOYSA-N 449.312 4.130 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 462935183 HIHZIURHFWKDBG-GOSISDBHSA-N 431.483 4.223 5 20 IIBD Cc1nc(-c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc34)cc2)cs1 463526970 IGIZUUABKIICGR-UHFFFAOYSA-N 426.479 4.376 5 20 IIBD COC(=O)CCCOc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 463837111 OWMNSCJLGOMKTF-UHFFFAOYSA-N 426.347 4.198 5 20 IIBD Cc1ccc(CCN(CC(F)(F)F)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1 463932503 UEXOMSAPLCQVJB-UHFFFAOYSA-N 432.402 4.336 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 464181341 MOWQMOHYVOTUAW-ZDUSSCGKSA-N 440.843 4.193 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N(CCCOc1ccccc1)C1CCOCC1 464185481 WBZJSVOXLWTWKC-UHFFFAOYSA-N 430.526 4.164 5 20 IIBD C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464785594 QMSNQFTZPLZNDJ-AWEZNQCLSA-N 437.418 4.484 5 20 IIBD COCc1c(Br)cccc1NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl 467167840 FJKXCUBFPMZXHE-UHFFFAOYSA-N 428.670 4.479 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NCCc1ncc[nH]1 468928599 IUICSIBTOXAXOT-DTQAZKPQSA-N 433.493 4.217 5 20 IIBD C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2I)c2c(O)cccc21 469179517 ZGEQWVHDGIENGW-JTQLQIEISA-N 438.221 4.059 5 20 IIBD COc1cc(C(=O)N[C@@H]2CCCO[C@H]2c2ccc(C)cc2)c([N+](=O)[O-])cc1OC(F)F 470772901 MCJUGDXTCZXTAX-BEFAXECRSA-N 436.411 4.163 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 471037444 KFSDKQVHDPGGGA-LLVKDONJSA-N 429.420 4.489 5 20 IIBD Cc1sc(CNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)nc1-c1ccc(Cl)cc1 472567617 CWELBJCQMGVVIH-UHFFFAOYSA-N 448.863 4.074 5 20 IIBD C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)c2)C1 472723049 FFNLZYZZOZIMNJ-VLIAUNLRSA-N 429.448 4.406 5 20 IIBD COc1cc([C@@H](C)Nc2cc(C)c([N+](=O)[O-])cc2Br)ccc1OCCO 473514920 ZFZONSWOFQHUBG-GFCCVEGCSA-N 425.279 4.219 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H]1c2ccccc2CC[C@H]1n1ccnc1 473993847 WUCXUEBMXZBSHS-IEBWSBKVSA-N 443.410 4.443 5 20 IIBD COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1cc(O)cc([N+](=O)[O-])c1)CCO2 476684762 ILRMNWIZAFFLGR-JOCHJYFZSA-N 434.448 4.475 5 20 IIBD CC(C)(C)OC(=O)[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 478192495 DSWJNRZNQUFKMJ-GOSISDBHSA-N 449.301 4.099 5 20 IIBD CC1CCN(c2ccc(C(=O)N(C)Cc3ncc(-c4ccccc4)[nH]3)cc2[N+](=O)[O-])CC1 478499897 LYDCMIXMTBWTBH-UHFFFAOYSA-N 433.512 4.493 5 20 IIBD CCc1c(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cnn1C(CC)CC 482684499 RXZZWQBHYREDOI-UHFFFAOYSA-N 429.477 4.042 5 20 IIBD CCOc1cc(C(=O)Nc2cc(C)cc(Br)c2O)c([N+](=O)[O-])cc1OC 482687029 AVCOGSXWXFWRTI-UHFFFAOYSA-N 425.235 4.031 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 483095863 VOMAYSAGTOHBAF-UHFFFAOYSA-N 445.541 4.283 5 20 IIBD O=C(Nc1cc(F)c(F)cc1N1CCCCC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 484883991 MBKBFANZAWZBGM-UHFFFAOYSA-N 427.411 4.301 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1 485103994 WBJGNFLKHZMAQI-UHFFFAOYSA-N 438.383 4.392 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCO[C@H](COCC4CC4)C3)cc2[N+](=O)[O-])cc1 485572824 FNXSRQMESRGPEJ-IBGZPJMESA-N 442.537 4.322 5 20 IIBD Cc1cccc(N(CC(=O)N2CCCCC2)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 485966467 KMNWBXXRCWRBCD-UHFFFAOYSA-N 436.512 4.137 5 20 IIBD O=C(NCc1cc(F)cc2c1OCOC2)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 486540187 XZPOTRFUSGRLFC-UHFFFAOYSA-N 438.411 4.109 5 20 IIBD COCCN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@@H]1CCO[C@@H]1C 488847357 AYEYMUUOOJHOLL-RDTXWAMCSA-N 434.876 4.307 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ncc(C)cc1Br 489125774 HGECDDXNNHNNKR-UHFFFAOYSA-N 426.292 4.052 5 20 IIBD CCn1c(SCCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1-c1ccc(F)cc1 489675681 PZQLAUFWJAWMMT-UHFFFAOYSA-N 429.477 4.442 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 489933884 MNYOEZYSTWWQSC-HNNXBMFYSA-N 426.498 4.010 5 20 IIBD CCOCCO[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C1 495937714 SCQYVUDWHOSFBC-SFHVURJKSA-N 447.919 4.128 5 20 IIBD CCC(C)(C)[C@@H]1CCc2nc(NC(=O)C(=O)N(C)Cc3ccccc3[N+](=O)[O-])sc2C1 498118191 SLEWJYVQPZHRIF-OAHLLOKOSA-N 444.557 4.190 5 20 IIBD CC(C)S(=O)(=O)Cc1ccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 499475659 XHYGJNSDGBWMAG-UHFFFAOYSA-N 445.522 4.294 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cc(Cl)ccc2N2CCSCC2)cc1C 500341157 MQYPEGNWEUDMLH-UHFFFAOYSA-N 441.962 4.219 5 20 IIBD CCc1cc(O)nc(-c2cccc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)c2)n1 500345765 KNMYVHOQINRMHB-UHFFFAOYSA-N 447.495 4.175 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)Nc1ccc(-c2ncco2)cc1)c1ccccc1[N+](=O)[O-] 501373396 VMDMUOFKYIPKEN-GOSISDBHSA-N 438.440 4.454 5 20 IIBD CCc1ccccc1-n1cnnc1SCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 502009521 WPGMONASFNVRNB-UHFFFAOYSA-N 439.541 4.267 5 20 IIBD O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 503060396 OLIPKORJGBXGQK-UHFFFAOYSA-N 430.917 4.263 5 20 IIBD COc1cc(CCNC(=O)NCC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])cc1OC 505619502 DDGMTDVFIFEUSY-UHFFFAOYSA-N 449.507 4.286 5 20 IIBD CCn1c([C@H]2CCCN2C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)nc2ccccc21 506186690 FYDITTKYCHPBSS-HXUWFJFHSA-N 430.468 4.127 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)cc1 507901330 HYODXMZGMSAPIL-FUHWJXTLSA-N 428.432 4.369 5 20 IIBD O=C(N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 509974462 WMTQPMKXGXQRGF-NVXWUHKLSA-N 445.401 4.260 5 20 IIBD CCOC(=O)C1CCC(N(CC)C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC1 511896294 APXAOUWUEAXAHH-UHFFFAOYSA-N 446.422 4.120 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(NC(=O)CC(F)(F)F)cc2)cc1OC 513037481 OBINSOOBWPKVOR-UHFFFAOYSA-N 441.362 4.145 5 20 IIBD C[C@H]1CCCN(Cc2ccc(CN[C@H](c3ccc([N+](=O)[O-])cc3)c3nccn3C)cc2)C1 514089135 OSVGBUYKACLVAD-YADARESESA-N 433.556 4.439 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(-n2cccn2)c1 515148485 ABYBHIDXOMDQBQ-UHFFFAOYSA-N 434.378 4.033 5 20 IIBD CCCC(=O)Nc1nc2ccc(NC(=O)c3cc(OC)c(OC)cc3[N+](=O)[O-])cc2s1 515856027 WTWGERJKWKLHSP-UHFFFAOYSA-N 444.469 4.213 5 20 IIBD C[C@H](NC(=O)C[C@H](NC(N)=O)c1cccc(Oc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 516523067 RHVOAICSBOKPIH-AOMKIAJQSA-N 448.479 4.364 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-])c1ccccn1 518758707 GETSRDPYCKFETO-KURKYZTESA-N 425.533 4.013 5 20 IIBD C[C@H](SCCCNc1ncccn1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 521345464 HKBRSOLFEKZJAT-ZDUSSCGKSA-N 444.542 4.071 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 522239974 OFRIVYDIZHILPR-UHFFFAOYSA-N 436.434 4.031 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCc1ccccc1-c1ccc(Cl)cc1 524210294 UKXHFVLFUMGTLB-UHFFFAOYSA-N 437.839 4.140 5 20 IIBD CS(=O)(=O)c1cccc([C@H](NCc2ccc([N+](=O)[O-])cc2)c2cc(F)ccc2F)c1 525689785 HGYXMJWMVAUIPM-NRFANRHFSA-N 432.448 4.156 5 20 IIBD CN(C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)c1cccc([N+](=O)[O-])c1 533146694 MQBYPBKDTLBMFH-UHFFFAOYSA-N 444.241 4.479 5 20 IIBD COc1ccc(NC(=O)CN2CCC(c3c[nH]c4cc(F)ccc34)CC2)c([N+](=O)[O-])c1 533286474 AFIOWGMDWFCXEB-UHFFFAOYSA-N 426.448 4.042 5 20 IIBD CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 534958441 WKOIZUQGEZOECM-UHFFFAOYSA-N 445.317 4.043 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc3c(c2)nc(C2CC2)n3C)cc1[N+](=O)[O-] 535522393 QZWMAWYSSQVUKD-UHFFFAOYSA-N 426.498 4.239 5 20 IIBD CCC[C@H](NC(=O)C[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 536305719 PTXPCDQAOZJVEU-GEFUHLBYSA-N 441.509 4.156 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 536539763 QITHBFSBMQMNMG-UHFFFAOYSA-N 446.916 4.484 5 20 IIBD Cc1cc(C)cc(CCC(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)c1 539595827 HVUIDGAKGANBGP-UHFFFAOYSA-N 445.522 4.072 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 540112317 DQZWHIBNIKBTMO-UHFFFAOYSA-N 429.305 4.447 5 20 IIBD CCc1cc(=O)c2cc(NS(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])ccc2[nH]1 540697065 WEIXSHKFXOSCBQ-UHFFFAOYSA-N 442.280 4.106 5 20 IIBD CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(Cl)cccc1[N+](=O)[O-] 540782365 QZYFSCKWHQFURX-SJPCQFCGSA-N 427.888 4.156 5 20 IIBD CN(C)C(=O)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CCCC1 542550329 KMUBLORNAUYOOW-UHFFFAOYSA-N 433.574 4.256 5 20 IIBD COc1ccc(NC(=O)N2[C@H]3CC[C@H]2CC(O)(Cc2ccc(F)cc2F)C3)cc1[N+](=O)[O-] 542965426 WSWOQTYNHKCYJZ-IRXDYDNUSA-N 447.438 4.014 5 20 IIBD CN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C1CCN(C(=O)c2ccccc2)CC1 543147624 YDXGBUFZDOUXNR-UHFFFAOYSA-N 447.944 4.104 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 543513598 STLMOXQMPDTCPM-CYBMUJFWSA-N 440.500 4.406 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(Cn2nc(C(=O)OC)c(Cl)c2C)cc1OC 544726339 HWSGHWQVNYZQOD-NSHDSACASA-N 425.869 4.022 5 20 IIBD COc1cc(C(=O)N2CCc3c2cccc3C(F)(F)F)c([N+](=O)[O-])cc1OC(F)F 545360774 YTNBCANROLVHDL-UHFFFAOYSA-N 432.301 4.427 5 20 IIBD CCOc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)cc1OC 545739188 RQBRWHJJEGPMHV-UHFFFAOYSA-N 434.246 4.405 5 20 IIBD CN(C(=O)CSCc1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1)C1CCCCC1 546490832 OYMOEAKXWRNQCF-UHFFFAOYSA-N 443.529 4.074 5 20 IIBD O=[N+]([O-])c1cnn(Cc2nc(-c3ccc(Oc4ccccc4C(F)(F)F)nc3)no2)c1 547155705 AZFYSUHAFDZPBE-UHFFFAOYSA-N 432.318 4.096 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)c1 549200119 MPXBYIWPULKNAX-UHFFFAOYSA-N 433.464 4.218 5 20 IIBD Cc1ccc(Cc2ccccn2)cc1NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 549296212 GLTHCYFLMZYMJJ-UHFFFAOYSA-N 446.507 4.265 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCC[C@H](c4nnc5n4CCC5)C3)c([N+](=O)[O-])c2)cc1 550575528 KGCXSBMQAFERLG-SFHVURJKSA-N 446.511 4.077 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CC[C@@H](COC(F)F)C3)cc2[N+](=O)[O-])n1 553534384 MDXYOWZBMNKZNI-LLVKDONJSA-N 429.470 4.212 5 20 IIBD COc1cc(CN[C@H]2CCOC3(CCOCC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 553541626 VIJCUPNAOGTWEJ-FQEVSTJZSA-N 442.512 4.000 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)n1 553564060 QNSLKWLIHNXOHW-KRWDZBQOSA-N 439.390 4.375 5 20 IIBD CC(C)Cc1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1C[C@@H]1CCCCO1 555482666 SWEWJJNNQMVQAV-NRFANRHFSA-N 443.548 4.002 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 561426586 OJOHMOSCCJLWAU-LJQANCHMSA-N 440.443 4.224 5 20 IIBD CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)C1 561753412 RAMZKZYRPPTXHX-IPMKNSEASA-N 433.574 4.110 5 20 IIBD CN1CCN(CCCN(C)Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 571007075 WYVCPVDGHCHYKM-UHFFFAOYSA-N 432.952 4.110 5 20 IIBD CCOc1cc(CN[C@H]2CC[C@H](F)C2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 573478487 NZQFURJNWKIJSO-OALUTQOASA-N 446.475 4.419 5 20 IIBD COc1cc(CN(C)C2C[C@@H]3CC[C@H](C2)N3C)ccc1OCc1ccc([N+](=O)[O-])cc1 576623918 YMVRNAUXPXFLHZ-CBQGHPETSA-N 425.529 4.239 5 20 IIBD O=C(NCCc1nc2ccccc2n1C(F)F)c1cc([N+](=O)[O-])ccc1C(F)(F)F 577302142 HAEOREKQROEJML-UHFFFAOYSA-N 428.317 4.331 5 20 IIBD COc1cccc(Oc2ccc(CN[C@@H](c3ccc([N+](=O)[O-])cc3)c3nccn3C)cn2)c1 579863710 KKYPITNPIVDTIY-QHCPKHFHSA-N 445.479 4.403 5 20 IIBD CC1(C)C[C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c2ccc(F)cc2O1 582681442 SOAIUCXICDKNBK-KRWDZBQOSA-N 443.475 4.389 5 20 IIBD CC[C@@]1(CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)OCCc2ccccc21 583597523 PQNXPGILDSFQHY-DEOSSOPVSA-N 439.512 4.026 5 20 IIBD CC(C)(CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(F)(F)F 584339120 LLIDIGMXGSSSPZ-UHFFFAOYSA-N 447.460 4.451 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3ccc(C(F)(F)F)s3)CC2)ccc1[N+](=O)[O-] 586814507 ASCUFJICENJVAE-UHFFFAOYSA-N 429.420 4.036 5 20 IIBD CC[C@H](c1ccccc1OC)N(C)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 588145523 KERQFWNGPPWIMY-CQSZACIVSA-N 443.319 4.138 5 20 IIBD CC(=O)N(c1ccc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1)C1CC1 590525315 OCBLFAUJODROKX-UHFFFAOYSA-N 432.274 4.433 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(C)C 608835296 PGANSPYPQWBHPV-KRWDZBQOSA-N 432.420 4.298 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3nc(-c4ccc(F)cc4)no3)cc2)c1 609473790 MKZLLHGUTBHTLS-UHFFFAOYSA-N 440.412 4.252 5 20 IIBD Cc1ccc2nc(COc3ccc(C(=O)N4CCc5c4cccc5[N+](=O)[O-])cc3)cn2c1 609992642 BQDHFBWLPWTJPU-UHFFFAOYSA-N 428.448 4.333 5 20 IIBD CN(Cc1ccccc1)CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 610063107 BKRSTNVTBLZCTM-UHFFFAOYSA-N 446.345 4.342 5 20 IIBD CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 610271021 CJZMAELMPYBISH-FQEVSTJZSA-N 434.521 4.252 5 20 IIBD CS(=O)(=O)C1CCC(NCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 610271117 QLOXZTHVCLGKBD-UHFFFAOYSA-N 438.933 4.486 5 20 IIBD CN(C)C(=O)c1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)c1 611200112 BFMSEIQKHUKVRV-UHFFFAOYSA-N 427.526 4.261 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1CC[C@@H](n2cncn2)C1 614439265 LFHONPHBWMIBDA-OAHLLOKOSA-N 429.889 4.078 5 20 IIBD O=C(Nc1cccc(Br)c1)C1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 725802372 MUZHDVJPSZUUAG-UHFFFAOYSA-N 436.281 4.347 5 20 IIBD CCCC[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccc(OC)cc1 728496048 LQDXDTVRKRYZMO-OXJNMPFZSA-N 443.475 4.143 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCC(=O)N[C@@H](C)c2ccccc2Cl)cc1SC 728649978 AMJXSYACBKEDIS-NSHDSACASA-N 438.889 4.013 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc(OCC(F)(F)C(F)F)nc1 729307581 SNLGCSLNNMJZPU-UHFFFAOYSA-N 435.761 4.195 5 20 IIBD CC[C@@H](C)[C@H](C)N(C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C1CC1 729442819 VTPUPZWZYHHHMY-CVEARBPZSA-N 446.525 4.402 5 20 IIBD CCCNC(=O)Nc1cccc(OC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 729904895 RTLFHOPIZQWXLX-UHFFFAOYSA-N 426.473 4.336 5 20 IIBD O=C(COC(=O)c1c(Cl)cccc1[N+](=O)[O-])NCC1(c2ccc(F)cc2)CCCC1 730644195 YGOCWLRCMVVNCF-UHFFFAOYSA-N 434.851 4.172 5 20 IIBD O=C(CSCc1cccc(Cl)c1)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 735333084 QBFGPDQMTNIBHL-UHFFFAOYSA-N 436.873 4.023 5 20 IIBD C[C@H](Cc1ccccc1F)C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 738772949 JYOVXWPBFLCKAJ-LLVKDONJSA-N 428.338 4.113 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cccc(-c2nc(C)cs2)c1 740407784 OQOOGZZOHCWFRI-ZDUSSCGKSA-N 441.465 4.219 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)N1c2ccccc2CC[C@H]1C 740422978 VEHIOUIQJOILRE-CHWSQXEVSA-N 447.285 4.271 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@@H]3C[C@]34CCCc3ccccc34)CC2)ccc1[N+](=O)[O-] 744175967 WXPKNYOWZWDIOP-OFVILXPXSA-N 436.508 4.410 5 20 IIBD COc1ccc(CNC(=O)C(=O)Nc2ccc(SC(C)(C)C)cc2C)cc1[N+](=O)[O-] 746787784 IXWLKQGILJXHRD-UHFFFAOYSA-N 431.514 4.057 5 20 IIBD CN(Cc1cccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1)C(=O)C(F)(F)F 746821848 UHJAZWVJZDPTQM-UHFFFAOYSA-N 449.307 4.387 5 20 IIBD O=C(N[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1F)c1ccccc1)OCc1ccccc1 746982964 FIZDVISMJKWDJE-OAQYLSRUSA-N 438.411 4.445 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1cccc2ccccc12 747861093 RGZQQHDUVJSTCH-QGZVFWFLSA-N 447.491 4.382 5 20 IIBD CC1CCN(C[C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)C2)CC1 748223552 IDNRGWCKDZUBTC-OAQYLSRUSA-N 442.604 4.415 5 20 IIBD Cc1nc(-c2cccc(NC(=O)COC(=O)Cc3cccc([N+](=O)[O-])c3C)c2)cs1 748469134 ALFKAHOHPGALMZ-UHFFFAOYSA-N 425.466 4.060 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F 748547515 RQTWJMAUERIFNU-GTNSWQLSSA-N 448.850 4.295 5 20 IIBD C[C@H](OC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1[N+](=O)[O-] 749055744 MRJCOFITVMYGFJ-KRWDZBQOSA-N 446.525 4.006 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(N3CCSCC3)c(C)c2)c([N+](=O)[O-])cc1OC 749821346 IPDNJOZAFSZNEC-UHFFFAOYSA-N 431.514 4.116 5 20 IIBD CCCC[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])C(=O)Nc1cccc(N2CCCC2)c1 751144866 ASGXFJKELXGFGJ-HXUWFJFHSA-N 442.491 4.261 5 20 IIBD O=[N+]([O-])c1cc2c(c(CN(Cc3ccccc3)C[C@@]3(O)CCc4ccccc43)c1)OCOC2 752128857 GXRVNPNQYWVTJX-SANMLTNESA-N 446.503 4.298 5 20 IIBD COc1cccc(NC(=O)[C@@H](OC(=O)c2c(F)ccc([N+](=O)[O-])c2F)c2ccccc2)c1 752564459 FOXAWZCLGHRDRZ-FQEVSTJZSA-N 442.374 4.418 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 754096231 CKCWQYSIXXCLMW-GUYCJALGSA-N 430.404 4.062 5 20 IIBD O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1cc(F)cc([N+](=O)[O-])c1Br 754988698 PSRSLXLLQIIOFY-ACJLOTCBSA-N 437.265 4.394 5 20 IIBD O=C(NCc1ccccc1OCC(F)(F)F)c1cccc([N+](=O)[O-])c1Br 758113555 JLJFIUILXVIOPL-UHFFFAOYSA-N 433.180 4.228 5 20 IIBD O=C(NC[C@@H](O)c1cc2ccccc2s1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 758332624 VLXURZBDZKOQHF-OAHLLOKOSA-N 440.399 4.214 5 20 IIBD O=C(NCC[C@H](O)c1ccc(Cl)c(Cl)c1)NCc1cc([N+](=O)[O-])ccc1Cl 758959272 HBZUIKDGHNEEPI-INIZCTEOSA-N 432.691 4.478 5 20 IIBD O=C(Cc1csc(Cc2ccccc2)n1)O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 759948306 MXTXIZHJVNSSOU-ZWKOTPCHSA-N 426.498 4.108 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CCNCc1ccc([N+](=O)[O-])c(Cl)c1 761535049 VZUBWADUGHFCES-UHFFFAOYSA-N 426.698 4.438 5 20 IIBD C[C@H](Cc1ccc(Br)cc1)C(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 766236804 KDALLKVLUIQPFQ-CHWSQXEVSA-N 435.274 4.106 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2C(F)(F)F)c([N+](=O)[O-])c1 770497973 LMZLGFMZVAIMKH-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD COc1ccc(CSCc2nc(-c3c(Cl)nc4sccn34)no2)cc1[N+](=O)[O-] 771310668 IAIXWQAHHDTWML-UHFFFAOYSA-N 437.890 4.449 5 20 IIBD Cc1cc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3n2C(C)C)cc([N+](=O)[O-])c1F 771768889 JSULGHVFYXUPKQ-GOSISDBHSA-N 446.504 4.499 5 20 IIBD CC(C)c1cccc(NC(=O)COC(=O)c2sc(Br)cc2[N+](=O)[O-])c1 773601699 CSXBLHPGLKVPQZ-UHFFFAOYSA-N 427.276 4.338 5 20 IIBD CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c1 775087405 QCNMPCACJFDBBR-CQSZACIVSA-N 430.482 4.482 5 20 IIBD CCC(=O)c1cc(Br)ccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1F 775703312 MZFLEWGQPNYJQH-UHFFFAOYSA-N 425.210 4.107 5 20 IIBD Cc1cccc(N2C[C@@H](C(=O)O[C@H](c3cccnc3)c3ccccc3[N+](=O)[O-])CC2=O)c1C 776134952 DRKZPENTUDZTTG-YADARESESA-N 445.475 4.292 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CCO[C@H](Cc2ccccc2)C1 776542740 HDOHINHONDRPHJ-CQSZACIVSA-N 439.693 4.094 5 20 IIBD CSc1cccc(C(=O)OCC(=O)NCc2ccccc2OC2CCCC2)c1[N+](=O)[O-] 777073671 ACTHTVKICIOBJZ-UHFFFAOYSA-N 444.509 4.111 5 20 IIBD NC(=O)c1ccc(SCC(=O)OC/C=C/c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 777356000 GUVVERVGOFSAHR-DUXPYHPUSA-N 440.399 4.061 5 20 IIBD Cc1cccc([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3I)C2)c1 784513408 MLDQLBIZLQGARZ-CQSZACIVSA-N 436.249 4.138 5 20 IIBD Cc1ccc(F)c(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1Br 785105417 HPERLTJQOHGDNC-UHFFFAOYSA-N 445.628 4.254 5 20 IIBD CC(=O)[C@@H](Cc1cccc(Cl)c1F)OC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 786783074 QSFAPCLVRRUOBV-GOSISDBHSA-N 446.818 4.058 5 20 IIBD COc1ccc(CSCC(=O)Nc2cc(Br)cnc2Cl)cc1[N+](=O)[O-] 787955738 OIXZRKLGOMOVSL-UHFFFAOYSA-N 446.710 4.286 5 20 IIBD CC(=O)c1ccc(NC(=S)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cc1 789349549 OZYMZBOKTDAUTA-UHFFFAOYSA-N 434.315 4.315 5 20 IIBD CCC1=C(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)CCCO1 790114071 SERTZYHSYRNVDI-UHFFFAOYSA-N 445.497 4.117 5 20 IIBD CC(C)c1[nH]nc(C(=O)OCc2cccc(Br)c2OC(F)F)c1[N+](=O)[O-] 796254705 XUGPZMKMSBURKD-UHFFFAOYSA-N 434.193 4.162 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 796390123 FUYRKVSYIVHUGP-JKSUJKDBSA-N 438.358 4.087 5 20 IIBD C[C@H](OC(=O)[C@H](C)[C@@H]1OCCc2sccc21)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 796485036 AWAZTBMASXOFTH-RLFDGXBXSA-N 438.889 4.130 5 20 IIBD COCc1nc(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c(-c2ccccc2)s1 799595498 KYWKZAVAQNZFOZ-ZDUSSCGKSA-N 441.465 4.049 5 20 IIBD O=[N+]([O-])c1cn(CN2CCC(c3ccc(Br)cc3)CC2)nc1-c1ccncc1 799942668 BHMOUWBJESTVOD-UHFFFAOYSA-N 442.317 4.453 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@H]1COc2cc(F)c(Br)cc21 800330434 WNXQOYXJUPELGM-ZDUSSCGKSA-N 447.619 4.081 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC(c2ccc(OC)c(F)c2)=NO1 801362687 KDUMHGKLDHNSLS-OAHLLOKOSA-N 447.488 4.168 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCN(C(=O)c2cccc3ccccc23)CC1 809919648 NAMRNJFCMAWWLN-UHFFFAOYSA-N 438.871 4.391 5 20 IIBD COCCn1c(Cc2c[nH]c3ccccc23)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 812067854 SQXJCHDBNRTKEA-UHFFFAOYSA-N 446.511 4.074 5 20 IIBD C[C@@](O)(C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CCC1 812680559 ZIHHHDXHKFYIHA-NQIIRXRSSA-N 432.860 4.022 5 20 IIBD CN([C@H](c1ccccc1)c1ncc[nH]1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 814397534 INNNXYZRDVUDGM-MRXNPFEDSA-N 441.296 4.035 5 20 IIBD O=C(OCC[C@@H](c1ccccc1)C(F)(F)F)c1cccc([N+](=O)[O-])c1N1CCOCC1 816475597 HMQCECALSXKFHJ-KRWDZBQOSA-N 438.402 4.324 5 20 IIBD CC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)c(C(F)(F)F)c1 821671645 GAICQFMXUIPYLH-UHFFFAOYSA-N 428.342 4.029 5 20 IIBD CC(C)[C@@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)N1C[C@H](C)C[C@@H](C)C1 876752957 DUFICKSVKNCJIO-PBFPGSCMSA-N 441.322 4.043 5 20 IIBD COc1ccc(CN(C)C(=O)[C@@H](OC(=O)c2cc(SC)ccc2[N+](=O)[O-])C(C)C)cc1 878281870 MPWBFSVWIYJKCC-FQEVSTJZSA-N 446.525 4.165 5 20 IIBD CS(=O)(=O)c1ccc(Oc2ccc3c4c(c(=O)oc3c2)CCCCC4)c([N+](=O)[O-])c1 912729088 XMROJBFQDVGOQH-UHFFFAOYSA-N 429.450 4.166 5 20 IIBD COCc1ccccc1C(=O)O[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 914943588 VIRJOIOGAMNFAX-CYBMUJFWSA-N 441.465 4.049 5 20 IIBD CC[C@H](NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1OC(F)F 915770819 AETAPGLLPWFWDY-ZDUSSCGKSA-N 427.791 4.056 5 20 IIBD CC1CCN(c2ccc(C(=O)OCC(=O)N(C)[C@H](C)c3ccccc3)cc2[N+](=O)[O-])CC1 917222210 UFAZNZZNCWSRBS-GOSISDBHSA-N 439.512 4.208 5 20 IIBD Cc1c(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cccc1NC(=O)c1ccccc1 917795341 XXWPSSAQYCZGHU-UHFFFAOYSA-N 429.436 4.144 5 20 IIBD O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)c1cc(Cl)ccc1[N+](=O)[O-] 918676261 NALREHPHWYSXEQ-GFCCVEGCSA-N 438.709 4.267 5 20 IIBD O=C(CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccccc1)O[C@H]1CCCCC1=O 920021704 WPUAJCYYYSIWOU-IBGZPJMESA-N 425.466 4.081 5 20 IIBD CC(C)c1ccc(N2C(=O)/C(=C/c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)NC2=S)cc1 920399226 RBSTUOKNDQYJFO-NDENLUEZSA-N 447.520 4.381 5 20 IIBD COc1ccc(Cl)cc1CCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 1251798817 RFHHDTREXBTNFP-UHFFFAOYSA-N 432.782 4.170 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(F)cc2OC(F)F)c([N+](=O)[O-])c1 1320626754 VMROCQYVIWLPSH-QWRGUYRKSA-N 427.379 4.022 5 20 IIBD CC(C)(C)OC(=O)N1CCC(c2nnc(-c3cc([N+](=O)[O-])ccc3OC(F)F)o2)CC1 1329270461 MCHZKSMWJZUYKO-UHFFFAOYSA-N 440.403 4.361 5 20 IIBD Cc1c(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 1338096479 HVCRNPZMNUKXQO-LJQANCHMSA-N 449.467 4.172 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)NC1(c2ccc(NC(=O)c3ccccc3O)cc2)CCC1 1787194474 SOPJKZQVHIFLAR-UHFFFAOYSA-N 445.475 4.291 5 20 IIBD O=C(Cc1cc([N+](=O)[O-])ccc1F)NC1(c2ccc(NC(=O)[C@@H]3CC3(F)F)cc2)CCC1 1789129976 LUWMBMNSFOYWCX-KRWDZBQOSA-N 447.413 4.066 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3cccc4ccoc34)cc2)CCC1)c1nc[nH]c1[N+](=O)[O-] 1790952383 BYNYSPLHNQMVTQ-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccc(C2(NC(=O)C3CC3)CCC2)cc1 1791522897 DOSKPKNOKZJMJN-UHFFFAOYSA-N 425.510 4.231 5 20 IIBD C[C@H](C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1)c1ccccn1 1791938269 ONBVDPCVVSRGEE-HNNXBMFYSA-N 434.452 4.134 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CC=CCC1)c1cc2cc([N+](=O)[O-])ccc2s1 1793003567 NGHMLJQWSKEMHI-NRSFXHEJSA-N 439.537 4.418 5 20 IIBD Cc1c(Cl)cccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(F)c1[N+](=O)[O-] 1800526486 DHWKZIRDMDXPTP-QDMKHBRRSA-N 445.878 4.261 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC([C@H]2CCCCN2C(=O)C2CCCC2)CC1 1826255552 DTOHWHCXYPOVQW-OAQYLSRUSA-N 431.508 4.157 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nc2sc(C)c(C)c2c1=O 3373969 JDVDMIAPNCQZPN-LBPRGKRZSA-N 432.527 4.122 5 20 IIBD CSc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3nccs3)c2C)cc1[N+](=O)[O-] 9622108 JPUKSVCXTDPSRK-UHFFFAOYSA-N 431.495 4.220 5 20 IIBD CCOc1ccc(C(=O)OCc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1[N+](=O)[O-] 9942370 TYBQETPXYIJCDC-UHFFFAOYSA-N 437.330 4.419 5 20 IIBD CCOc1ccc(NC(=O)CSc2nc(C3CC3)nn2-c2ccccc2)c([N+](=O)[O-])c1 10080744 RPDOEALYBBJUMD-UHFFFAOYSA-N 439.497 4.182 5 20 IIBD Cc1c(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)cccc1[N+](=O)[O-] 15790933 IZCRFBLQCQEPCQ-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2ccc(Br)cc2F)c1 16195865 JOSIUGPXCPIOGS-UHFFFAOYSA-N 443.250 4.014 5 20 IIBD O=C(COC(=O)c1csc(-c2ccc(F)cc2)n1)Nc1ccc([N+](=O)[O-])cc1Cl 19616521 ALPFYXVVMYVUSM-UHFFFAOYSA-N 435.820 4.306 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1c(-c2ccccc2Cl)noc1C 28302178 AWZXGXHYLZEEPI-UHFFFAOYSA-N 445.815 4.016 5 20 IIBD COc1cc([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc1OC(C)C 30361059 UNMDAUDLCAUKIJ-GFCCVEGCSA-N 428.894 4.084 5 20 IIBD O=[N+]([O-])c1ccc2nc(CSc3nnc(-c4ccncc4)n3-c3ccccc3)[nH]c2c1 59262218 FGCHKMRIOZNTOK-UHFFFAOYSA-N 429.465 4.406 5 20 IIBD CS(=O)(=O)Cc1ccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1 64091492 SMUWULPRYOCJLO-UHFFFAOYSA-N 425.466 4.135 5 20 IIBD O=C(NC1CCN(c2nc3ccccc3s2)CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 64457855 FJQQAAAEMXWVHY-UHFFFAOYSA-N 437.525 4.178 5 20 IIBD Cc1cc(-c2csc(NC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)n2)c(C)o1 108447347 RWFLIVHLYPFUDB-UHFFFAOYSA-N 442.453 4.255 5 20 IIBD COC(=O)c1cc(C(=O)Nc2nc(-c3ccccc3OC(F)F)cs2)cc([N+](=O)[O-])c1 110595468 DAZXGJWPBKENSJ-UHFFFAOYSA-N 449.391 4.359 5 20 IIBD Cn1c([C@H]2CCCCN2C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)nc2ccccc21 117493269 JQPBVYOYJAHSPJ-OAQYLSRUSA-N 430.468 4.035 5 20 IIBD Cc1nn(C)c(Nc2ccc(CNC(=O)c3ccc(Br)cc3)cc2)c1[N+](=O)[O-] 301271417 JQFTWHPFYMOUQH-UHFFFAOYSA-N 444.289 4.073 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NC[C@H](O)c1ccccc1Cl 301342209 IKKNAYRTSDSKPO-FQEVSTJZSA-N 447.900 4.195 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3ccc(Cl)cc3n2)cc1OC 410412233 BFLSWINKBINWGB-UHFFFAOYSA-N 431.832 4.083 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@H]1Cn1cnc2ccccc21 426263119 JHSOKLCFNBVEFI-INIZCTEOSA-N 447.417 4.338 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2noc(C(F)(F)F)n2)c1 428240485 IVGJYDHVDNOVOB-UHFFFAOYSA-N 435.362 4.494 5 20 IIBD Cc1c(NCc2ccc(S(=O)(=O)C(C)C)cc2)cc(Br)cc1[N+](=O)[O-] 429778512 CNOGGDMBSBYKIA-UHFFFAOYSA-N 427.320 4.460 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN(CCc3ccccn3)Cc3cccnc3)o2)c1 430345497 RMYOPOCIGDIAGM-UHFFFAOYSA-N 429.480 4.327 5 20 IIBD O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 430471459 OHXJFAQHNZOHPT-UYAOXDASSA-N 440.393 4.256 5 20 IIBD O=C(COc1c(Br)cccc1[N+](=O)[O-])Nc1ccc(Br)cc1 431216785 FEZSPJXYGOVMLH-UHFFFAOYSA-N 430.052 4.137 5 20 IIBD O=C(Nc1nc(CN2CCCCCC2)cs1)c1cc(Br)cc([N+](=O)[O-])c1 432918199 RWHPTBKJOWGHHA-UHFFFAOYSA-N 439.335 4.442 5 20 IIBD C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 433077322 RDUPHVNWSSFEPR-LLVKDONJSA-N 432.267 4.242 5 20 IIBD C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1nc(-c2ccncc2)cs1 433198197 WSCULRDLTLVPFX-JTQLQIEISA-N 433.287 4.367 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CC=C(c2ccc(Cl)cc2)CC1 434245053 KTVHBKORSSMEJD-UHFFFAOYSA-N 441.871 4.252 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCN(Cc2cccc(Cl)c2)CC1 435833694 GRGUUQWRJREBBZ-UHFFFAOYSA-N 431.923 4.293 5 20 IIBD O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 435835923 OLAMDLXWZCJRKJ-QFIPXVFZSA-N 429.495 4.387 5 20 IIBD COc1cccc(C(=O)N(Cc2cccc(Br)c2)C2CCOCC2)c1[N+](=O)[O-] 436008928 GIOKLHXGGYFLAQ-UHFFFAOYSA-N 449.301 4.187 5 20 IIBD C[C@@H](NC(=O)Nc1cc(F)c(F)cc1I)c1cccc([N+](=O)[O-])c1 438580345 GJCQHXRVMHSARA-MRVPVSSYSA-N 447.179 4.360 5 20 IIBD Cc1ccc(C(C)C)c(Oc2ccc(CN3CCC[C@@H](S(N)(=O)=O)C3)cc2[N+](=O)[O-])c1 443789210 KZDSMUAXRCEKBZ-GOSISDBHSA-N 447.557 4.072 5 20 IIBD COc1ccc(C[C@@H](C)NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1OC 444004854 NIWLISPFZHBMRD-CQSZACIVSA-N 434.467 4.199 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(OC3COC3)cc2)cc1 444530875 FNTLNXUWHDNWOJ-UHFFFAOYSA-N 436.420 4.426 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCc1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1 445218727 ZDXXWWBRPSBVNG-UHFFFAOYSA-N 435.284 4.430 5 20 IIBD CC[C@H](NC(=O)Cc1noc(-c2ccc([N+](=O)[O-])cc2Br)n1)c1ccccc1 445710717 YWMVLFZMSCNTGC-INIZCTEOSA-N 445.273 4.217 5 20 IIBD COC(=O)Cc1sc(NC(=O)CCc2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 445914486 UDZRBUVUBYYKJD-UHFFFAOYSA-N 425.466 4.005 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)c(Br)c1 447030711 VLZMFSCAPDSOHO-ZJUUUORDSA-N 445.257 4.004 5 20 IIBD O=C(Nc1cccc(CNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])c1)C1CCCC1 447817885 SWEIRDQVQKJDAM-UHFFFAOYSA-N 438.528 4.168 5 20 IIBD COC(=O)c1cc(Oc2ccc(Cl)cc2)ccc1NC(=O)c1n[nH]c(C)c1[N+](=O)[O-] 461343373 WEMMDJHMTOVMIS-UHFFFAOYSA-N 430.804 4.111 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N(Cc3cccs3)C3CC3)n2C[C@@H]2CCOC2)c1 461584331 YPTSGUFIHGWCIT-HNNXBMFYSA-N 425.514 4.120 5 20 IIBD CC(C)(C)Oc1ccc(CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])c(C(F)(F)F)c1 463023116 XDOWALNHRLSHRL-UHFFFAOYSA-N 447.435 4.050 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCc1ccc(OCc2ccccc2)cc1 463998621 BPXNNWJJHBPWMP-UHFFFAOYSA-N 447.491 4.088 5 20 IIBD C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1nc(-c2ccccc2)cs1 464413904 FQLCJJPMGQZDGI-ZDUSSCGKSA-N 440.506 4.306 5 20 IIBD Cc1cc(C)n(Cc2cccc(C(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)c2)n1 464626645 KEPRFKWMAMDSEG-UHFFFAOYSA-N 434.496 4.140 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ccc(Oc2ccc(Cl)cc2)nc1 465172578 HRYOFWFOMZIZGX-UHFFFAOYSA-N 441.827 4.388 5 20 IIBD Cc1sc(S(=O)(=O)N2CCCCC[C@H]2CC(=O)c2cccs2)cc1[N+](=O)[O-] 467062585 GFNSIDRBGJNSLG-ZDUSSCGKSA-N 428.557 4.233 5 20 IIBD CN(C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H](c1ccc(Cl)cc1)C(F)(F)F 469115426 SHYQWCOCCWOPPD-GOSISDBHSA-N 444.793 4.324 5 20 IIBD COc1cc(S(=O)(=O)Nc2ncc(Cc3ccccc3Cl)s2)ccc1[N+](=O)[O-] 469151937 VOKPTJULRNIRAK-UHFFFAOYSA-N 439.902 4.105 5 20 IIBD CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 469469443 VUKXDVPUOOMFPI-SFHVURJKSA-N 439.541 4.358 5 20 IIBD O=C(Nc1ccc(Cl)cc1Br)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 470410159 VWFPJPAFKHXAIB-UHFFFAOYSA-N 426.654 4.306 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCCc1cccc(-c2ccccc2)c1 472201143 WMRPEFJQQFTWGJ-UHFFFAOYSA-N 445.475 4.309 5 20 IIBD Cc1cc(NCCCS(=O)(=O)Cc2ccccc2)c(Br)cc1[N+](=O)[O-] 473518381 DVEIYSIEMPMBKU-UHFFFAOYSA-N 427.320 4.083 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 477985838 DKLDGSXWELZREP-UHFFFAOYSA-N 435.271 4.189 5 20 IIBD COc1cc(C(=O)Nc2c(C)cnn2[C@H]2CCN(Cc3ccccc3)C2)cc([N+](=O)[O-])c1C 478328747 IFQUIYWBXZOFRB-FQEVSTJZSA-N 449.511 4.116 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F 478478858 FSKHHLQTSJLIJG-KRWDZBQOSA-N 441.793 4.141 5 20 IIBD Cc1ccc(S(=O)(=O)N(CCc2c(C)noc2C)c2cccc([N+](=O)[O-])c2)c(C)c1 478946883 BPZBXNSVXQDHDJ-UHFFFAOYSA-N 429.498 4.254 5 20 IIBD Cn1cc([C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c2ccc(F)cc2)cn1 479637546 PKLYLVTVCCNQOW-IBGZPJMESA-N 434.880 4.119 5 20 IIBD Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nnc1-c1cccc(Cl)c1 479899402 VQGWZRTZMYWQNS-UHFFFAOYSA-N 438.296 4.428 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCOc3cc(Cl)c(Cl)cc32)c2ncccc12 481870157 SPYPIUILHGAJFA-UHFFFAOYSA-N 440.264 4.038 5 20 IIBD CCc1nc(CN2CCC(CN[C@H](Cc3ccccc3[N+](=O)[O-])C3CC3)CC2)cs1 482905028 WHKOUPUPEDXCDU-OAQYLSRUSA-N 428.602 4.437 5 20 IIBD CCOC(=O)[C@H](NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)c1cccc(O)c1 483358995 RUJUJBWABNIJKI-HSZRJFAPSA-N 435.480 4.462 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](c2ccccc2Cl)C1 484708787 PJWYYOCYGLCJTC-GOSISDBHSA-N 436.917 4.200 5 20 IIBD CCS[C@@H](C)c1noc(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 484996320 KCYYQXFNXFNOEP-LBPRGKRZSA-N 445.467 4.133 5 20 IIBD COc1cc(CCNC(=O)N2CCC(c3ccc(F)cc3C)CC2)c([N+](=O)[O-])cc1OC 488204745 XXKCZCFRJNNFLS-UHFFFAOYSA-N 445.491 4.191 5 20 IIBD COc1c(F)cc(S(=O)(=O)Nc2ccc(-c3ncc(C(C)C)o3)cc2)cc1[N+](=O)[O-] 488304338 XUYPMPBDCKLLKZ-UHFFFAOYSA-N 435.433 4.322 5 20 IIBD Cc1nc2[nH]c(SCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)nc2cc1Br 489796538 XHKQDRXFLAUJEQ-UHFFFAOYSA-N 447.274 4.279 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc(-n2cccn2)cc1 489900054 NCUBIWRNKCLPNY-OAHLLOKOSA-N 426.498 4.010 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)cc1OC 493999357 ILXCPJSITZASQX-UHFFFAOYSA-N 443.500 4.119 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)NC[C@@H](CO)Cc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] 494450299 ZUQCRZOLOJXXGJ-CABCVRRESA-N 439.434 4.133 5 20 IIBD O=[N+]([O-])c1ccc([C@H]2SCCN2S(=O)(=O)Cc2ccccc2C(F)(F)F)cc1 497969853 CBFONNNKEXUJFT-MRXNPFEDSA-N 432.445 4.191 5 20 IIBD CC(C)N(Cc1ccc(NC(=O)c2c(N)cccc2[N+](=O)[O-])cc1)C[C@@H]1CCCCO1 500040374 ZHJVAOVTOVOXFP-IBGZPJMESA-N 426.517 4.209 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N(Cc1ccc(O)cc1)Cc1ccco1 502516252 MHCJYYOYFPURTC-UHFFFAOYSA-N 431.242 4.499 5 20 IIBD CC(C)(NC(=O)C1CCN(c2ccc3cccc(O)c3n2)CC1)c1ccc([N+](=O)[O-])cc1 509003042 VXXCIFAFRQHQFX-UHFFFAOYSA-N 434.496 4.117 5 20 IIBD CCn1c([C@@H]2CCCN2S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])nc2ccccc21 509626819 UYCOFZNCMCAGJK-SFHVURJKSA-N 428.514 4.107 5 20 IIBD CC[C@@H](C)NS(=O)(=O)c1cccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 512611924 CCMNEUCFEYBQIU-CQSZACIVSA-N 446.554 4.407 5 20 IIBD CC(C)Sc1ccc(Cl)cc1NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 513404540 LEHJMVREZMGQTR-UHFFFAOYSA-N 428.919 4.405 5 20 IIBD CCCNc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 513770883 FSIQJIDPDQMXBE-UHFFFAOYSA-N 445.419 4.091 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@H]1CCCCN1C(=O)c1cccs1 514525990 MWEDZJQIAVGGMI-MRXNPFEDSA-N 442.522 4.413 5 20 IIBD Cc1ccc(CN(C(=O)COc2ccc([N+](=O)[O-])cc2)c2ccc3c(c2)OCCO3)s1 514811323 FBXQMXKAZADUQE-UHFFFAOYSA-N 440.477 4.348 5 20 IIBD O=C(NCc1ccc(OCCOc2ccccc2)nc1)c1ccc(Cl)cc1[N+](=O)[O-] 516006682 BUFBKWIKBCGDQE-UHFFFAOYSA-N 427.844 4.031 5 20 IIBD CCCOc1cc(NC(=O)N2CCC[C@H](c3nc(C)no3)C2)c([N+](=O)[O-])cc1OCCC 519058269 VQXOFOFMVCQDFY-HNNXBMFYSA-N 447.492 4.275 5 20 IIBD COc1ccc(Sc2ccc(NC(=O)C(=O)NCc3cccc([N+](=O)[O-])c3)cc2)cc1 522244014 SCYXEKUIGTZXOJ-UHFFFAOYSA-N 437.477 4.010 5 20 IIBD CCCN(C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCCN(Cc2ccccc2)C1 522427585 MYPQUDOOIYAVGZ-NRFANRHFSA-N 440.544 4.190 5 20 IIBD O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 523726070 GWJUQAOOJCRUKP-JGCGQSQUSA-N 446.488 4.341 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c([N+](=O)[O-])c1 523878434 RSDITQYVECENCN-UHFFFAOYSA-N 438.465 4.027 5 20 IIBD Cc1cc(NC(=O)[C@@H](C)Oc2cccc(Br)c2)n(-c2ccc([N+](=O)[O-])cc2)n1 525136183 XSTRADFGYIEJJE-CYBMUJFWSA-N 445.273 4.257 5 20 IIBD COc1ccc(-c2ccc(CN[C@H]3CCN(C(=O)CCc4ccccc4)C3)o2)c([N+](=O)[O-])c1 531791992 SIXKULCEGHTEDZ-IBGZPJMESA-N 449.507 4.187 5 20 IIBD O=C(O)C[C@H]1CCCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 532869085 XGKLNCAPHXTCGF-CQSZACIVSA-N 431.876 4.187 5 20 IIBD COc1ccc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cc1Oc1ccc(C)nn1 535039391 YWRPYXSELYEEOW-UHFFFAOYSA-N 435.440 4.084 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NC[C@H]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] 536148360 CBQFDLDPQOOYAL-GJZGRUSLSA-N 428.510 4.093 5 20 IIBD CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 536318236 AWOFUFVPUUEDLT-HOTGVXAUSA-N 448.545 4.004 5 20 IIBD O=C(CN(Cc1cccnc1)C(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1 536674531 GHYNCVPXWUMMOO-UHFFFAOYSA-N 439.859 4.316 5 20 IIBD C[C@@H](CCO)C1(CNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CCC1 537260355 SXMSQJZQJLPHSK-LBPRGKRZSA-N 441.315 4.006 5 20 IIBD O=C(Cc1csc2ccc(Cl)cc12)NCCNc1ncnc2ccc([N+](=O)[O-])cc12 537719516 AYPCAOODSBIBDZ-UHFFFAOYSA-N 441.900 4.177 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NC[C@H]3CCO[C@H](C)C3)c([N+](=O)[O-])c2)c(C)c1 537823839 STUAUXSJODXAII-SJORKVTESA-N 433.530 4.239 5 20 IIBD CC[C@H](C)n1nc(NC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cc1C 538354916 BBVQUWYPMIEFJO-WMLDXEAASA-N 431.493 4.275 5 20 IIBD CCOc1cc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)n2)c([N+](=O)[O-])cc1OCC 539599280 JHTAQHAUBWPQBQ-UHFFFAOYSA-N 428.420 4.278 5 20 IIBD Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] 539642715 AVXARRFLBUZARJ-SJORKVTESA-N 435.402 4.313 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 541261044 FZFALFHGLNUKGD-QHCPKHFHSA-N 425.554 4.202 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 543512954 KWNAGUWTHBQOGL-ACJLOTCBSA-N 431.489 4.256 5 20 IIBD COc1ccc(NC(=O)C(=O)NCc2ccc(Sc3ccccc3)cc2)cc1[N+](=O)[O-] 543923597 VHSXSMRNRZKSSA-UHFFFAOYSA-N 437.477 4.010 5 20 IIBD O=[N+]([O-])c1ccccc1OC[C@H](O)CSc1nnc(-c2ccco2)n1C1CCCCC1 544048397 RWGBECJJUYQPJX-INIZCTEOSA-N 444.513 4.484 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)CSc1ccccc1[N+](=O)[O-] 544060860 ATGROISEVJQBEH-XIKOKIGWSA-N 439.331 4.342 5 20 IIBD NC(=O)c1ccc(SCc2nc(Cc3ccc(Cl)cc3Cl)no2)c([N+](=O)[O-])c1 544931712 QWLXLAVPZUGAPY-UHFFFAOYSA-N 439.280 4.267 5 20 IIBD CS[C@H]1C(=O)Nc2ccc(-c3noc(-c4ccc(N5CCCC5)c([N+](=O)[O-])c4)n3)cc21 545083905 GSAMMQZSHLFJRS-GOSISDBHSA-N 437.481 4.268 5 20 IIBD CC(C)(C)NC(=O)Nc1ccc(Cl)c(-c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)c1 546966156 AAHDDQADELNCFS-UHFFFAOYSA-N 430.852 4.467 5 20 IIBD Cc1cc(NC(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)ccc1-c1ccncc1 550691876 OAWMJHVTFVFJEN-UHFFFAOYSA-N 430.464 4.095 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CSc3nc(O)c4cnn(-c5ccccc5)c4n3)co2)cc1 551331493 WXUBVXBMRQQTKO-UHFFFAOYSA-N 446.448 4.377 5 20 IIBD Cc1cnc(COCC(=O)N(CC(C)C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)o1 554738116 LBIFPYGXLIURHZ-UHFFFAOYSA-N 430.486 4.221 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 557363469 NJCAODLNRZRVGX-UHFFFAOYSA-N 433.443 4.025 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)n1 561120616 HEIITZDYMXUGHF-UHFFFAOYSA-N 425.485 4.074 5 20 IIBD CS(=O)(=O)c1cccc([C@@H](Nc2ncnc3sc([N+](=O)[O-])cc23)c2ccccc2)c1 561205458 CUJKCHJHAMMOQH-SFHVURJKSA-N 440.506 4.205 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 561299504 MCAWLFDJLLLLQS-UHFFFAOYSA-N 443.456 4.349 5 20 IIBD Cc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)cc1[N+](=O)[O-] 562337524 LYUHXAWYTDGUKC-QGZVFWFLSA-N 441.509 4.225 5 20 IIBD CCS(=O)(=O)c1ccc(N2CCC(N[C@H]3CCCc4ccc([N+](=O)[O-])cc43)CC2)cc1 562495038 CZVNQPMUGAVDMT-QHCPKHFHSA-N 443.569 4.024 5 20 IIBD Cc1oc(-c2ccccc2)c(C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1C 569164211 AMWWCLLMVDQRHN-UHFFFAOYSA-N 433.464 4.070 5 20 IIBD COc1cccc([C@@H]2[C@@H](c3nc(-c4ccc([N+](=O)[O-])cc4C)no3)CC(=O)N2C2CC2)c1 577456335 OKDDKMZDFPVEFS-PZJWPPBQSA-N 434.452 4.181 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1ccc(C(F)(F)F)s1)c1ccccc1[N+](=O)[O-] 585857245 RQCPVCPWIQPZFJ-GFCCVEGCSA-N 430.404 4.488 5 20 IIBD CS(=O)(=O)c1ccc(Nc2cccc(COCCOc3ccccc3)c2)c([N+](=O)[O-])c1 603868114 AKFDOOLOBPKKBQ-UHFFFAOYSA-N 442.493 4.338 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NC[C@H](C)CN2CCCC2)cc1[N+](=O)[O-] 603970843 KJKRWAWHGIMDMG-INIZCTEOSA-N 441.553 4.009 5 20 IIBD O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc([N+](=O)[O-])cc2c1OCCO2 608936756 AOYBSIUIGZBWRH-MYJAWHEDSA-N 442.312 4.005 5 20 IIBD COc1ccc(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)c([N+](=O)[O-])c1 609563156 XHSIUGCKFVHCBI-UHFFFAOYSA-N 433.464 4.248 5 20 IIBD CCOC(=O)c1ccnc(NCC2CCN(Cc3ccccc3Cl)CC2)c1[N+](=O)[O-] 609963573 DNTGKUBDIOWICQ-UHFFFAOYSA-N 432.908 4.144 5 20 IIBD Cc1ccc(NCCCNC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)c([N+](=O)[O-])c1 610056351 OLXKATHXZDJMMJ-UHFFFAOYSA-N 436.299 4.019 5 20 IIBD CC(C)CCOc1cccc(NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 610141201 JDVDGFUFLRNBPD-UHFFFAOYSA-N 440.500 4.010 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccn(-c3ncccc3F)n2)cc1 611163672 JXFPVWFICQVBDA-UHFFFAOYSA-N 449.398 4.368 5 20 IIBD O=C(N[C@@H]1CCN(C2CCCCC2)C1=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611207297 BEZSZDIQSURKTP-LJQANCHMSA-N 431.558 4.293 5 20 IIBD CC(C)Oc1ccc(NC(=O)c2ccc(I)c([N+](=O)[O-])c2)cc1 727754529 FXXBBCHHJPUZJU-UHFFFAOYSA-N 426.210 4.239 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(OCc2cccc(F)c2)c(F)c1 728492929 SIBVOYQQULYHBU-UHFFFAOYSA-N 438.390 4.440 5 20 IIBD Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)cc1 728521396 DFOPMYXSXNWIBW-OAHLLOKOSA-N 430.892 4.231 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2ccc(SC)cc2)cc1SC 728658286 UEDMSNWZSUZFQF-NSHDSACASA-N 436.511 4.231 5 20 IIBD COc1ccc(C(=O)N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)cc1[N+](=O)[O-] 731024163 RKZGWIFUZWFZMI-UHFFFAOYSA-N 441.484 4.221 5 20 IIBD CC(C)(C)OC(=O)NC1(c2noc(-c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)n2)CCCC1 731800003 OWUOHROCXANDDJ-UHFFFAOYSA-N 440.460 4.125 5 20 IIBD O=C(Nc1ccc(N2CCCC2=O)c(F)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 732646882 KJLVKQJIDSMAMO-UHFFFAOYSA-N 426.448 4.103 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])cc1F)Nc1cccc(CSc2ccccn2)c1 733458967 DZSOOBAIMFBYFX-UHFFFAOYSA-N 441.440 4.217 5 20 IIBD O=C(OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Oc2ccccc2)nc1 733683838 NLKTUJNQJMQZFQ-UHFFFAOYSA-N 441.827 4.022 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCSC[C@@H]1c1ccc(Cl)cc1 734804264 MGKGKDFQCVILCX-HXUWFJFHSA-N 447.944 4.015 5 20 IIBD CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c1 735439759 UTBGVEISKIFZCY-UHFFFAOYSA-N 449.891 4.333 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 735992623 BYYZNZWLWIGRIQ-UHFFFAOYSA-N 445.819 4.257 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@@H]3CCC[C@@H](C(F)(F)F)C3)CC2)ccc1[N+](=O)[O-] 739386509 WUADGQXSKQXUQG-ZIAGYGMSSA-N 430.423 4.484 5 20 IIBD C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 741773317 SJCLIVNKBKVRNT-OAHLLOKOSA-N 427.892 4.105 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)Oc2ccccc2OC(F)F)cc1[N+](=O)[O-] 743345287 UKRIXKIKMPAXAC-UHFFFAOYSA-N 438.202 4.035 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Oc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1 744280346 DPGOVSBNVYPYTN-UHFFFAOYSA-N 442.859 4.025 5 20 IIBD O=C(O[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccc([N+](=O)[O-])cc1Cl 744481738 XSZSGZUCVXTZQJ-MRXNPFEDSA-N 440.786 4.202 5 20 IIBD C[C@@H](OC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 745497525 VQQZXIZSVTVVJU-LLVKDONJSA-N 449.410 4.042 5 20 IIBD CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)c1c3ccccc3cc3ccccc13)CC2 746527411 WLSBEVHJQFHWED-UHFFFAOYSA-N 430.529 4.446 5 20 IIBD Cc1c(CC(=O)Nc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)cccc1[N+](=O)[O-] 747885987 KULCKQNCKCFQQV-UHFFFAOYSA-N 425.485 4.378 5 20 IIBD Cc1c(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cccc1C(=O)Nc1ccccc1 748198994 XMPAXIHWNKQIEE-UHFFFAOYSA-N 429.436 4.144 5 20 IIBD COc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2Br)cc1OC(F)F 751079313 JVSLHCVUMNOTOD-UHFFFAOYSA-N 445.216 4.240 5 20 IIBD COc1cc(C(=O)Oc2cccc(Oc3ncccn3)c2)c([N+](=O)[O-])cc1OC(F)F 751196972 VNEOZZIFLPTDBX-UHFFFAOYSA-N 433.323 4.006 5 20 IIBD Cc1cccc(-c2cccc(CNC(=O)c3c4c(cc([N+](=O)[O-])c3[N+](=O)[O-])OCCO4)c2)c1 751263678 JZSFOTVOZJFOQM-UHFFFAOYSA-N 449.419 4.180 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCc2c(cnn2-c2ccccc2)C1 755026029 QTKLKIBXRPOVLJ-UHFFFAOYSA-N 442.273 4.133 5 20 IIBD CC(C)(CO)[C@H](CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 755028015 IJUYIEJFYANXCZ-OAHLLOKOSA-N 436.306 4.281 5 20 IIBD C[C@H]1CCN(C(=O)COC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c2ccccc2S1 755063152 IOGNJYXWCLNORB-KBPBESRZSA-N 432.473 4.298 5 20 IIBD C[C@H](OC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 755064538 KWSOIPYIYJCIIK-MNOVXSKESA-N 430.348 4.100 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN(Cc3ccccc3)C[C@H](O)c3cccs3)o2)cc1 756058034 SOKNUIRDIOAAJK-IBGZPJMESA-N 436.493 4.442 5 20 IIBD O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cc(F)cc([N+](=O)[O-])c1Br 756428610 AKEZUPXKWUKNOB-CJNGLKHVSA-N 441.228 4.286 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])O[C@H]([C@@H]1CCCO1)C(F)(F)F 757556174 MJJSDMKWMVXHGJ-GXTWGEPZSA-N 430.301 4.069 5 20 IIBD CC(C)(C)c1cc(NC(=O)COC(=O)c2ccc(F)cc2[N+](=O)[O-])n(-c2ccccc2)n1 758115681 ZAFISSQEXXWLOV-UHFFFAOYSA-N 440.431 4.013 5 20 IIBD O=C(Cc1csc(-c2cccc(F)c2)n1)O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 759935196 BHOLCMGTLNJHLH-DLBZAZTESA-N 430.461 4.324 5 20 IIBD O=C(OCCn1cc([N+](=O)[O-])ccc1=O)c1csc(-c2ccc(Cl)cc2Cl)n1 761389517 MZXGNFVMCHIZFD-UHFFFAOYSA-N 440.264 4.044 5 20 IIBD CC1CCN(c2ccc(C(=O)OCC3CCN(C(=O)C(C)(C)C)CC3)cc2[N+](=O)[O-])CC1 762826932 ZEBKAOFZZDBGFW-UHFFFAOYSA-N 445.560 4.273 5 20 IIBD COc1cc(COC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)c([N+](=O)[O-])cc1F 766167109 VWJLNAAWVCPUTG-UHFFFAOYSA-N 428.372 4.253 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)N[C@H](C)c1cc2ccccc2o1 766230903 OPUPTAOWNDOENI-KGLIPLIRSA-N 433.420 4.312 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)c1coc(C2CCC2)n1)c1cccc([N+](=O)[O-])c1 767664961 RHCNMKLATUTKIO-KRWDZBQOSA-N 427.457 4.092 5 20 IIBD COc1cccc(C(=O)O[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 769604726 WTWVYXAHFWKBBC-INIZCTEOSA-N 434.448 4.055 5 20 IIBD CCc1nc2c(s1)[C@H](N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C)CCC2 769906487 RICRAPPJBRDJAK-CYBMUJFWSA-N 429.951 4.274 5 20 IIBD O=C(O[C@H]1Cc2ccccc2C1=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 770023452 XIQUTRQFNKVHAS-INIZCTEOSA-N 432.219 4.052 5 20 IIBD Cn1ccnc1[C@H](O)[C@@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 770333034 VQUDACBAWSILIE-JLTOFOAXSA-N 430.892 4.187 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1sc(Br)cc1[N+](=O)[O-] 770514211 KNWFDHVZDAANAH-UHFFFAOYSA-N 428.264 4.080 5 20 IIBD CC(C)n1ccc(CNc2ccc([N+](=O)[O-])c(NCc3ccn(C(C)C)n3)c2[N+](=O)[O-])n1 771142827 BPANDOKQCVWWSD-UHFFFAOYSA-N 442.480 4.282 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(-c3ccc(NC(=O)OC(C)(C)C)cc3Cl)n2)n1C 771461033 DEXFXAJTXAUDIR-UHFFFAOYSA-N 434.840 4.354 5 20 IIBD CCN(C(=O)[C@@H](C)OC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 772381394 KLMWLGZOTCLMKH-CYBMUJFWSA-N 439.390 4.010 5 20 IIBD O=C(OCc1nc(-c2ccc(Cl)cc2)no1)c1sc(Br)cc1[N+](=O)[O-] 773600370 SBLFSDGPQGOFAX-UHFFFAOYSA-N 444.650 4.479 5 20 IIBD CN(C)c1cc(F)c(C(=O)N2CCN(C(=O)OC(C)(C)C)c3ccccc32)cc1[N+](=O)[O-] 773843298 VECUOISGFSACOA-UHFFFAOYSA-N 444.463 4.202 5 20 IIBD O=C(O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1ccc(OC[C@H]2CCCO2)cc1 776136542 KHDYMVJLHHBDGZ-OFNKIYASSA-N 434.448 4.494 5 20 IIBD C[C@@H]1Sc2ccc(C(=O)O[C@H](c3cccnc3)c3ccccc3[N+](=O)[O-])cc2NC1=O 776137256 YYLNIOGFUHSKAU-RNODOKPDSA-N 435.461 4.369 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCc2ncc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2C1 777007521 NRPBXLOYDRBJEP-CYBMUJFWSA-N 446.891 4.278 5 20 IIBD CSc1cccc(C(=O)N(C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C)c1[N+](=O)[O-] 777159163 MZQXJTUUGRTEAV-HNNXBMFYSA-N 425.551 4.328 5 20 IIBD Cc1nc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(-c2ccccc2)s1 778856579 WTNJKONIANCQNM-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD COc1cc([C@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C(F)(F)F)cc(OC)c1OC 779059624 CILYSMRVLBNWJL-INIZCTEOSA-N 448.781 4.307 5 20 IIBD Cc1nc(C(C)C)sc1[C@H](C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 779313711 OYGHXFLBUOJIBP-STQMWFEESA-N 437.543 4.454 5 20 IIBD C[C@](NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])(c1ccc(F)cc1)C(F)(F)F 781869907 RAGPXHLUDOBOIY-KRWDZBQOSA-N 429.326 4.169 5 20 IIBD CC(C)(C)OC(=O)N1CCC(n2cccc2C(=O)OCc2ccc([N+](=O)[O-])c(F)c2)CC1 783585418 HVUJIVQBGSEROU-UHFFFAOYSA-N 447.463 4.464 5 20 IIBD Cc1ccc2cccnc2c1S(=O)(=O)NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C 785045106 HYHULTMBRPYHAM-UHFFFAOYSA-N 445.522 4.071 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 785975681 ZSTWEJDDMOTSOB-UHFFFAOYSA-N 445.519 4.492 5 20 IIBD O=C(OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]1c1ccc(Cl)s1 786403802 AZXWHSHAHYKBJG-BPLDGKMQSA-N 434.901 4.261 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c1F 790152252 YGCIEEQBQRMZPI-UHFFFAOYSA-N 426.429 4.303 5 20 IIBD COc1ccc(NC(=O)c2ccccc2NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)cc1 790252796 ANWADHOYIXOHPI-UHFFFAOYSA-N 435.436 4.425 5 20 IIBD C[C@]12CCN(C(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]1C2(Cl)Cl 791187910 YVLZRBBDUFOPQL-ZFWWWQNUSA-N 440.249 4.458 5 20 IIBD Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c1C 792476340 UMXJUBBNNHWAFN-CYBMUJFWSA-N 435.274 4.467 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Oc2ccc(CNC(=O)OC(C)(C)C)cc2)cc1C 796034442 XQIBJDTXBSAJIT-UHFFFAOYSA-N 436.486 4.004 5 20 IIBD CCCc1[nH]nc(C(=O)OCc2ncc(-c3cccc(Br)c3)o2)c1[N+](=O)[O-] 796266965 WHMICAFKJHVZAF-UHFFFAOYSA-N 435.234 4.045 5 20 IIBD COc1ccc(OCCOC(=O)c2cc3sc(N4CCCC4)nc3s2)c([N+](=O)[O-])c1 796321457 ROWBRSLFIXHELB-UHFFFAOYSA-N 449.510 4.111 5 20 IIBD O=C(OCc1nc2ccc(Br)cc2o1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 803091409 LFDFXPXGDNYVPQ-UHFFFAOYSA-N 443.213 4.041 5 20 IIBD O=C(OCc1nc2cc(Br)ccc2o1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 803282052 QSIZTCBYWUCSNQ-UHFFFAOYSA-N 443.213 4.041 5 20 IIBD O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCCCN1C(=O)c1ccco1 811215782 XKWPRKKBKYAVHS-KRWDZBQOSA-N 441.465 4.049 5 20 IIBD CCOc1ccc([C@@H](O)C2CCN(CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])CC2)cc1 812865405 ZXKWOXKBFHFNGI-JOCHJYFZSA-N 447.919 4.031 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)OCCC1CCOCC1 814437886 MKMCTHSQRKLKHC-UHFFFAOYSA-N 435.480 4.350 5 20 IIBD CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F 825487971 MHFGBUBHAJKZFT-GYBYREBLSA-N 435.471 4.169 5 20 IIBD COc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(C)cn2)cc1[N+](=O)[O-] 915792548 KWTMKHVAESKBGT-UHFFFAOYSA-N 434.477 4.298 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(=O)n(Cc3ccccc3)c2)CC1 916465729 ZWTDNFRSCCAMDZ-UHFFFAOYSA-N 446.507 4.293 5 20 IIBD COc1cc(NC(=O)CCOc2ccccc2[N+](=O)[O-])ccc1NC(=O)OC(C)(C)C 917691923 XXGMUEUOXDHPMI-UHFFFAOYSA-N 431.445 4.358 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1)c1cccc([N+](=O)[O-])c1 918447240 BZLRXNOYLJUMIA-OAHLLOKOSA-N 442.491 4.319 5 20 IIBD Cc1cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccco1 918729032 WDMCTEBVEVBLKG-UHFFFAOYSA-N 435.845 4.203 5 20 IIBD Nc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 919030300 CALIOHGMEBWLJX-QGZVFWFLSA-N 438.267 4.004 5 20 IIBD COc1ccc(COC(=O)[C@@H](C)Oc2ccc(F)cc2Br)cc1[N+](=O)[O-] 919139042 GFMFBKNRDVMRRZ-SNVBAGLBSA-N 428.210 4.016 5 20 IIBD C[C@H](OC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)c1cccc([N+](=O)[O-])c1 920158481 ODHMRRWVDXZIGH-JSGCOSHPSA-N 433.258 4.015 5 20 IIBD CCCCCCOCc1cccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 920875211 XYSALTKUFQDGAY-UHFFFAOYSA-N 441.532 4.441 5 20 IIBD Cc1ccc(O)c(Cl)[n+]1/C(C(=S)NCC1CCC1)=C(/O)c1ccc([N+](=O)[O-])cc1 1320462354 ZWNNMCXAPFTYFH-UHFFFAOYSA-O 434.925 4.151 5 20 IIBD CCOC(=O)N1[C@H](c2ccc(C)o2)CC[C@H]1c1nnc(COc2ccccc2[N+](=O)[O-])o1 1326072708 MOIRRDXAACFBRO-HOCLYGCPSA-N 442.428 4.493 5 20 IIBD O=[N+]([O-])c1cccc(-n2ccc(-c3nnc(-c4cc(F)ccc4Br)o3)n2)c1 1326309035 ILOXDWOCZJLXBT-UHFFFAOYSA-N 430.193 4.399 5 20 IIBD Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4nc[nH]c4[N+](=O)[O-])CCC3)cc2)c1 1786616219 MLODMTCGFXBAAE-UHFFFAOYSA-N 447.495 4.007 5 20 IIBD O=C(/C=C/C1CC1)NC1(c2ccc(NC(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2)CCC1 1790829430 RIEJRAPEHJMYPI-NYYWCZLTSA-N 445.479 4.185 5 20 IIBD C[C@H](Oc1ccccc1)C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1 1791349566 IJMWBHIGVJTCEQ-INIZCTEOSA-N 449.463 4.403 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCCC2(CCN(C(=O)c3sccc3Cl)CC2)C1 1804650039 MJPMZBIOSLUZTN-UHFFFAOYSA-N 437.905 4.061 5 20 IIBD O=C(CC1CCCC1)N1CCCC2(CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC2)C1 1808937993 BDAPOAGVGXYPTM-UHFFFAOYSA-N 431.508 4.159 5 20 IIBD C[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc([N+](=O)[O-])o3)n[nH]2)CC1 1814313612 RWCJTJAKYFAKOO-IIAWOOMASA-N 429.477 4.043 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC([C@@H]2CCCCN2C(=O)c2cccs2)CC1 1825779201 RJVNKQDEYPGEQC-IBGZPJMESA-N 445.516 4.343 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CC=CCC2)CC1 1830277294 PPAMOLLBDIAEPU-BRFNVVFKSA-N 441.528 4.177 5 20 IIBD CC(C)Cn1c(S[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nnc1-c1ccco1 9566940 UZHOFWMIHOHYHF-LBPRGKRZSA-N 433.465 4.361 5 20 IIBD O=C(COC(=O)c1ccccc1C(F)(F)F)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 10648041 RMDFCAJKHBERDS-UHFFFAOYSA-N 436.264 4.428 5 20 IIBD O=C(COC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)Nc1cc(Cl)ccc1[N+](=O)[O-] 11493503 DCARKRNHYKRVNA-UHFFFAOYSA-N 435.223 4.087 5 20 IIBD O=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 11868242 LFSGMGOMDQJKPC-UHFFFAOYSA-N 447.163 4.206 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(C(=S)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1 18141499 RPPCWHLQXRVJSO-UHFFFAOYSA-N 426.420 4.012 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 19425951 AZATVDBYDGRUMP-UHFFFAOYSA-N 429.429 4.046 5 20 IIBD C[C@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1c(F)c(F)c(F)c(F)c1F 22548009 FGMFYHUELFXPGW-YFKPBYRVSA-N 438.692 4.128 5 20 IIBD Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 26482732 XLJZNMPQXWWHDG-DEOSSOPVSA-N 445.523 4.109 5 20 IIBD O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 58771490 BQRRFALOTXNASS-IBGZPJMESA-N 428.395 4.189 5 20 IIBD CC(C)Cn1c(SC[C@H](O)COc2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1F 61716323 ZWVNFERDJRTKMK-MRXNPFEDSA-N 446.504 4.180 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3ccccc3OCCn3ccnc3)cc2[N+](=O)[O-])CC1 63657009 QYRHGHOSYMVDBO-UHFFFAOYSA-N 449.511 4.359 5 20 IIBD O=C(NCc1ccc(CN2CCCCCC2)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 63679292 TVGNNVYYUPTWQC-UHFFFAOYSA-N 433.512 4.087 5 20 IIBD O=C1C[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)c2ccc(F)cc2N1 97076243 CWJPBBWIUQHWJY-QGZVFWFLSA-N 433.395 4.029 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)c([N+](=O)[O-])cc1OC 106101356 DEGBOHVTYJFFSQ-UHFFFAOYSA-N 427.379 4.339 5 20 IIBD O=C(CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 216806740 LXWGFGYOZDFITN-HNNXBMFYSA-N 430.511 4.069 5 20 IIBD Cc1cc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)ccc1I 410033457 NZOBBARTVXPDGS-UHFFFAOYSA-N 438.265 4.102 5 20 IIBD CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc([N+](=O)[O-])c[nH]1)N(C)C 410093123 ASVAYZOOKSMXMX-SFHVURJKSA-N 427.332 4.458 5 20 IIBD CN(C)c1cc(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c2ccccc2n1 426050570 PPWAYZLMFNBAQV-UHFFFAOYSA-N 447.417 4.227 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1nc(-c2cc(C)ccn2)n[nH]1 428383060 LATSWITZECRQTJ-AWEZNQCLSA-N 440.529 4.467 5 20 IIBD Cc1cc(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])n([C@H]2CCN(Cc3ccccc3)C2)n1 435514506 CDMBRSWXIMIYJP-NRFANRHFSA-N 448.527 4.211 5 20 IIBD COc1cccc(C(=O)Nc2cc(I)ccc2Cl)c1[N+](=O)[O-] 435807456 ITKIOZCJQDSGQF-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2ccc(Br)c(Cl)c2Cl)c1 436024558 YSLILMKOMICXEP-UHFFFAOYSA-N 442.074 4.171 5 20 IIBD CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1ccc(O)c([N+](=O)[O-])c1 436952508 JGFXMYWZZMERQX-UHFFFAOYSA-N 426.448 4.315 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@H](OC1CCOCC1)c1ccccc1 437403943 IIBCINWUCZISOD-BTYIYWSLSA-N 429.473 4.050 5 20 IIBD CC(C)S(=O)(=O)Cc1ccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 437754117 AIYWIETZWDKEID-UHFFFAOYSA-N 431.514 4.115 5 20 IIBD CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 440039174 RLQUHLIZTURIQH-HHHXNRCGSA-N 428.532 4.345 5 20 IIBD CC(C)CCSc1ccc(C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)cc1[N+](=O)[O-] 440838827 WGQSSUFOLLLOAD-UHFFFAOYSA-N 429.498 4.341 5 20 IIBD C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444237131 MMYRMZOVEOLLAL-GFCCVEGCSA-N 438.405 4.490 5 20 IIBD COc1cccc(C[C@@]2(C(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)C[C@H]3CC[C@H]2C3)c1 444628393 DBORHIFJTFLWIW-WOGXIUBCSA-N 434.496 4.145 5 20 IIBD Cn1cnc([N+](=O)[O-])c1-c1noc(-c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)n1 445584580 RJMDWUXCWSFTEP-UHFFFAOYSA-N 437.803 4.144 5 20 IIBD C[C@H](NC(=O)N1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1)c1cccc([N+](=O)[O-])c1 445696913 LIDGQXWQSZOETQ-YJBOKZPZSA-N 436.468 4.006 5 20 IIBD O=C(Nc1cccc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1)c1cccc(F)c1 447530645 OVKPAEXGKICFSJ-SFTDATJTSA-N 437.475 4.456 5 20 IIBD CCOc1cccc(CNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])c1OC(F)F 447816030 ISQSRBFQEGSTDL-UHFFFAOYSA-N 437.443 4.039 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)c1 460166483 OVQLUMKPHMBOOB-FQEVSTJZSA-N 431.920 4.139 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2ccccc2CC(F)(F)F)cc1[N+](=O)[O-] 460459748 KYRLDIAUDMOMJZ-UHFFFAOYSA-N 437.403 4.232 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O 460491934 ITUDBJSYSGXSMJ-UHFFFAOYSA-N 449.850 4.021 5 20 IIBD COc1cc(CCC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)ccc1OCC(F)(F)F 466276770 XRBMPQZGUJSXTO-UHFFFAOYSA-N 446.809 4.447 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc1SC 468959103 LKSRWKWCEVFBEN-UHFFFAOYSA-N 432.473 4.200 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1 469565287 MKZPPKTZXAEIQR-MRXNPFEDSA-N 426.477 4.244 5 20 IIBD COC(=O)c1cc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc(Br)c1F 470098308 VCAOEOQSSDPVPS-MRVPVSSYSA-N 443.200 4.164 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(Br)c(OC)c2)c([N+](=O)[O-])cc1OC 471488058 KRMVOZGTIYMEOK-UHFFFAOYSA-N 425.235 4.026 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H](OCc3ccccc3)C2(C)C)cc1OC 471704892 HIQLJSQHBPYOJO-LEWJYISDSA-N 428.485 4.116 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NC3CCN(CCOC(C)C)CC3)c([N+](=O)[O-])c2)cc1 476198953 JUVPGSZGKGONMG-UHFFFAOYSA-N 440.544 4.457 5 20 IIBD COCCN(C(=O)[C@@H](C)OCc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 476327038 WNKASXDVWYBXHC-MRXNPFEDSA-N 441.509 4.303 5 20 IIBD O=C(COc1ccc(Cc2ccccc2)cc1[N+](=O)[O-])NC[C@@H]1CCN(c2ccccc2)C1 481967228 QHDXRBSKPHYDIT-QFIPXVFZSA-N 445.519 4.207 5 20 IIBD COc1ccc(OC(F)F)c(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c1 482150142 CTTRUVHCDLBJMQ-UHFFFAOYSA-N 446.410 4.319 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(Br)cc1 484220497 MZUKRUXCTDNUCH-UHFFFAOYSA-N 425.304 4.026 5 20 IIBD O=C1CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CN1Cc1ccccc1 484389007 WWXLYFTTXGJBHW-UHFFFAOYSA-N 432.436 4.221 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](COCc2ccccc2)C1 485510779 UYDDXPLVIRYNLQ-GOSISDBHSA-N 430.526 4.012 5 20 IIBD CC(C)c1ccc(CN(C)[C@H](C)c2ccc(N3CCCS3(=O)=O)cc2)cc1[N+](=O)[O-] 485703994 IZKNOIHJEQAYKW-QGZVFWFLSA-N 431.558 4.451 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2nncn2C2CC2)C1 487076086 QHKCLULYWSRAQU-HNNXBMFYSA-N 429.546 4.289 5 20 IIBD COc1cc(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1OCc1cscn1 488052686 SKUVQUPWMAEFOE-AWEZNQCLSA-N 427.482 4.438 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1ccc(F)cc1 489669315 UWMYUZAPXYQHTE-GFCCVEGCSA-N 445.476 4.140 5 20 IIBD CCOc1cc(CN2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)ccc1[N+](=O)[O-] 492661027 ZSLJGKZXWWHGSL-UHFFFAOYSA-N 432.908 4.387 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)Nc2cc(C3C(C)(C)C3(C)C)[nH]n2)cc1[N+](=O)[O-] 493740088 HBGYKBAIRUXRNG-UHFFFAOYSA-N 427.505 4.342 5 20 IIBD Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 495181379 CQQPRIJUFMVJGP-LJQANCHMSA-N 439.541 4.492 5 20 IIBD O=[N+]([O-])c1ccc(NCc2nc3cc(Br)cnc3[nH]2)c(Br)c1 497251350 YKYRUDDQPLCCFA-UHFFFAOYSA-N 427.056 4.003 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCC[C@@H]3C(=O)NCc3ccco3)c([N+](=O)[O-])c2)cc1 498818519 FADMARPVGDDWTB-OAQYLSRUSA-N 448.479 4.034 5 20 IIBD COc1ccc(CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])c(Cl)c1OC 500614419 XXGKDLXUXJHFAU-UHFFFAOYSA-N 443.681 4.000 5 20 IIBD CN(Cc1ccccc1CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])C1CCCCC1 500685248 HZWHGCRPEHKZRH-UHFFFAOYSA-N 445.585 4.021 5 20 IIBD CC(=O)NCCN(C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccc(Br)s1 504545362 IXVXHRUNSKBIAE-XQRVVYSFSA-N 438.347 4.070 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)C[C@@H]3OCCc4ccccc43)cc2[N+](=O)[O-])C1 506324616 DLZRELAWVFXVJB-GGUMNFRJSA-N 437.540 4.463 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3C[C@H](C)Oc4ncccc43)cc2[N+](=O)[O-])n1 508258202 DJEJIOXXKNUBGM-LBPRGKRZSA-N 428.495 4.334 5 20 IIBD COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1NC(=O)c1cccc(F)c1 510867442 IBXWLPDAVMUEKX-UHFFFAOYSA-N 439.399 4.256 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCCc3cc(OC(F)(F)F)ccc32)cc1OC 512377074 FQZGBFGABZXTIQ-UHFFFAOYSA-N 440.374 4.494 5 20 IIBD Cc1nn(C)c(C(=O)N(C)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c1[N+](=O)[O-] 513420013 HEQMLMFYIVCGBP-UHFFFAOYSA-N 435.362 4.119 5 20 IIBD O=C(CCSc1nnc2c(Cl)cc(C(F)(F)F)cn12)Nc1ccc([N+](=O)[O-])cc1 514943085 NTXBMXNVZCFSGZ-UHFFFAOYSA-N 445.810 4.431 5 20 IIBD O=C(Nc1ccnn1Cc1ccc(Cl)c(F)c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 514977375 XOOKLTCRBWRAQJ-UHFFFAOYSA-N 445.838 4.059 5 20 IIBD O=C(Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 515558241 XXLXPLOBYRTBML-OAHLLOKOSA-N 436.251 4.173 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1 515824095 GRJDWKONAGEVKJ-UHFFFAOYSA-N 436.443 4.328 5 20 IIBD COc1ccc(C(=O)NCc2cccc(NC(=O)Nc3cccc(C)c3)c2)cc1[N+](=O)[O-] 517098987 JSXNBRVWQIQDBF-UHFFFAOYSA-N 434.452 4.486 5 20 IIBD C[C@H]1CCCN(CCCCNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 518029310 ONOSPELPVAVXNQ-OALUTQOASA-N 439.560 4.405 5 20 IIBD COc1ccc(CN(Cc2ccccc2)C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)cc1 518280610 BFSGVRUNKGXDCA-UHFFFAOYSA-N 443.463 4.027 5 20 IIBD CCOCCOc1ccc(Cl)cc1NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 519557393 IFKUQNDUXXDCEQ-UHFFFAOYSA-N 431.832 4.170 5 20 IIBD CCCc1[nH]nc(C(=O)N2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)c1[N+](=O)[O-] 520290289 CIGFNBQROZYGGK-UHFFFAOYSA-N 426.517 4.204 5 20 IIBD Cc1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1C(=O)N1CCCC1 520388987 RBQHZYSVGZRPAG-CQSZACIVSA-N 431.876 4.199 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N[C@@H](c1ccccc1)[C@H]1CCCO1 523242947 FHKFHQPTXLQRGL-YADHBBJMSA-N 445.541 4.102 5 20 IIBD Cc1ccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1I 534649002 OQKBZZOSQSDBSZ-UHFFFAOYSA-N 435.221 4.170 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 535986279 FHAKHAKDSONKBL-RHSMWYFYSA-N 432.249 4.357 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1cc(F)c(Br)c(F)c1 537039260 JCQSDQDJXIYAJG-MRVPVSSYSA-N 430.205 4.083 5 20 IIBD CC(C)C[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1nc(-c2nc[nH]n2)no1 540323477 HLUANHMFPQIJDY-OAHLLOKOSA-N 439.501 4.368 5 20 IIBD CCOc1cccc2cc([C@H](C)NCCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])oc12 541659002 SGIBUVTUVAUHDV-AWEZNQCLSA-N 427.457 4.428 5 20 IIBD C[C@@H](C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl)c1ccc([N+](=O)[O-])cc1F 542611276 CHURPRAQXLAWCW-SECBINFHSA-N 434.777 4.133 5 20 IIBD CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCCOC)CCN1Cc1ccccc1 544766737 BBPLARIDLRJQIB-IBGZPJMESA-N 443.569 4.070 5 20 IIBD Cc1ccnc2[nH]c(Cc3noc(-c4ccc(N5C[C@@H](C)C[C@H](C)C5)c([N+](=O)[O-])c4)n3)nc12 545057110 BDPWSFXJEBJBAD-KBPBESRZSA-N 447.499 4.298 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NC1(c2ccc(Cl)c(Cl)c2)CC1 545287979 WMDIXNOKUDLABI-UHFFFAOYSA-N 442.686 4.090 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2cccc(OCCN(C)C)c2)no1 545692786 VDRJAQXAAUTTOS-CYBMUJFWSA-N 432.864 4.379 5 20 IIBD COc1ccc(CSCc2nc(-c3ccncc3N3CCCC3)no2)cc1[N+](=O)[O-] 545816429 JIMQPTPGQJEZLW-UHFFFAOYSA-N 427.486 4.082 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H](C)NC(=O)c2ccc(Br)s2)n1 546395995 WPBOVLBMCIYOLD-VIFPVBQESA-N 437.275 4.268 5 20 IIBD Cc1cc(Cc2noc([C@H](C)SCC(=O)Nc3ccc(F)cc3)n2)ccc1[N+](=O)[O-] 546488611 IVZDLIOKBIBNBS-ZDUSSCGKSA-N 430.461 4.449 5 20 IIBD C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[C@H](OC1CCOCC1)c1ccccc1 546526231 FFYCJKQOMPETQD-ZHRRBRCNSA-N 444.503 4.453 5 20 IIBD Cn1ccnc1Sc1ccc(Cl)cc1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 546793758 HKAUGZSHFWHKFA-UHFFFAOYSA-N 438.918 4.075 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCOC1 549599658 XBJFXXOQTXHIHX-OAHLLOKOSA-N 427.892 4.180 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 550589982 YWASRWHYXYVDNF-MRXNPFEDSA-N 435.274 4.476 5 20 IIBD CCNC(=O)N1CCc2ccc(NC(=O)c3cc([N+](=O)[O-])cc(Br)c3C)cc21 550661185 QJHFPENYSZCFRU-UHFFFAOYSA-N 447.289 4.010 5 20 IIBD Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c(OC[C@@H]2CCCO2)c1 551576919 BDTBCVCSEBKCJF-INIZCTEOSA-N 438.402 4.410 5 20 IIBD CC(C)(C(=O)NC[C@H](NCc1ccccc1)c1ccco1)c1ccc([N+](=O)[O-])cc1F 552871004 YERCOGGXZHVHFY-FQEVSTJZSA-N 425.460 4.252 5 20 IIBD O=C1CCCc2cc(OCc3cc(I)cc([N+](=O)[O-])c3)ccc2N1 554944085 GVDFRHABPIHZDT-UHFFFAOYSA-N 438.221 4.053 5 20 IIBD C[C@H]1CN(c2cccc(F)c2)CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 557914758 QZGVCCFWGKFWOF-SFHVURJKSA-N 429.495 4.031 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 558178991 BWJAIYVFEDFQNX-QGZVFWFLSA-N 425.363 4.407 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN(c2nnc(-c4cccc([N+](=O)[O-])c4)n2C)C3)cs1 564362650 KGIMTGCNZSJYLL-UHFFFAOYSA-N 438.538 4.446 5 20 IIBD C[C@@H]1c2c(F)cccc2CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 564633650 RWBIOAVMJDFCBZ-HZPDHXFCSA-N 437.475 4.153 5 20 IIBD Cn1cc([N+](=O)[O-])cc1-c1nc(-c2ccc(C(F)(F)F)nc2OCC(F)(F)F)no1 572927101 SBUSOYUIEGQMJM-UHFFFAOYSA-N 437.256 4.005 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 573163362 FWBYKFOAIRKPEQ-MRXNPFEDSA-N 429.326 4.238 5 20 IIBD COc1ccc(C[C@@](C)(O)CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1OC 576197815 VDPJJHFMSSUHKE-LOSJGSFVSA-N 436.508 4.285 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)cc1[N+](=O)[O-] 578918089 FCQKSLTXPKDFME-UWJYYQICSA-N 439.512 4.115 5 20 IIBD Cc1cc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nn1C1CCCCC1 582456157 DPWWVQYTNDCXPM-UHFFFAOYSA-N 427.505 4.680 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccc(NC(=O)CC(F)(F)F)cc1 583216048 MKHKQZIPCSHYOV-UHFFFAOYSA-N 448.357 4.051 5 20 IIBD COC(=O)c1ccoc1CN1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 603684424 MJFCHMJUWCTXDM-UHFFFAOYSA-N 441.509 4.021 5 20 IIBD CCOc1cc(NC(=O)NCc2cccc(NC(=O)CC)c2)c([N+](=O)[O-])cc1OCC 603809430 WCQVUYKUEQKMSX-UHFFFAOYSA-N 430.461 4.062 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 604032818 RDRGFKPHINPSGE-UHFFFAOYSA-N 444.553 4.385 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CCCCCc1cc(-c2ccccc2)n[nH]1 604126844 LJWRLJBNWGAINS-UHFFFAOYSA-N 442.541 4.327 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 604135479 OQDPEHLAPZBTFU-MRXNPFEDSA-N 439.802 4.056 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCN(C/C=C\c2ccccc2)CC1 604522461 FRWZUOYKRWCQST-YVMONPNESA-N 434.521 4.190 5 20 IIBD Cc1c(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)cccc1-c1nnc2n1CCCCC2 609035681 XSEQDIVHGAICJM-UHFFFAOYSA-N 431.456 4.017 5 20 IIBD CC(C)Oc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 609134191 YXCDATLIEJEUEP-GFCCVEGCSA-N 443.319 4.184 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCc2[nH]c3ccc(Cl)cc3c2C1 609197385 RXCCQZRVIBENJK-UHFFFAOYSA-N 428.876 4.125 5 20 IIBD CCCCOc1ccc(OC)cc1NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 609500583 XDCQZIRGAATQQW-MRXNPFEDSA-N 447.513 4.087 5 20 IIBD C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 609508218 FLHNDRCEXCQHSX-JLTOFOAXSA-N 426.860 4.036 5 20 IIBD CC(C)(C)[S@@](=O)Cc1cccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 609700789 QYPRXMKKLXHJGW-SANMLTNESA-N 430.935 4.096 5 20 IIBD CCN1CCN(c2ccc(NC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])c(C)c2)CC1 609723434 SVDKZPVAVYEGIL-UHFFFAOYSA-N 446.935 4.106 5 20 IIBD CS[C@H]1CCC[C@@H](NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)C1 609764296 KELGJGOSXDJKHM-SJORKVTESA-N 441.553 4.296 5 20 IIBD COc1cc(CNc2ccc(Cn3cncn3)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 610910678 VYGLXIVNQXCTPA-UHFFFAOYSA-N 445.479 4.434 5 20 IIBD CO[C@@]1(C(F)(F)F)CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 614897875 DYPAKZSSGWBKIX-FQEVSTJZSA-N 437.418 4.390 5 20 IIBD O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1occc1COc1ccccc1 729193227 NVUBVUFRKLUVBM-UHFFFAOYSA-N 437.452 4.235 5 20 IIBD O=C(COC(=O)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 730626179 ZRGXFDAPKQXWQJ-OAQYLSRUSA-N 427.359 4.419 5 20 IIBD CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)N[C@@H]1c1cc([N+](=O)[O-])c(F)cc1F 731420794 MCOJVTJZXICAHP-LJQANCHMSA-N 431.395 4.289 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCc1nc2cc(Cl)ccc2s1 731988366 QQXFSDNIFMBOPG-UHFFFAOYSA-N 433.845 4.466 5 20 IIBD O=C(Nc1ccc(N2CCCCCC2)cc1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 732073894 MOTYUWLSWYKSRR-GOSISDBHSA-N 442.541 4.280 5 20 IIBD COC(=O)C1=C(C)N(CCC(C)C)C(=O)N[C@@H]1c1csc(-c2cccc([N+](=O)[O-])c2)n1 733121096 KNAGLCMIWHHGII-GOSISDBHSA-N 444.513 4.278 5 20 IIBD O=C(Cc1csc(-c2ccc3c(c2)OCO3)n1)OCc1ccc(Cl)cc1[N+](=O)[O-] 734898305 JGUAGVQAAAPYIO-UHFFFAOYSA-N 432.841 4.386 5 20 IIBD Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)OC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 735147579 GNIULVFMWWHJBS-LSDHHAIUSA-N 434.876 4.135 5 20 IIBD CCOCCNC(=S)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 735423193 NPWYMUIZSQUOIS-UHFFFAOYSA-N 427.885 4.180 5 20 IIBD O=C(COC(=O)c1coc(-c2ccccc2)n1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 738842257 UFVFMZRYCPKEHP-UHFFFAOYSA-N 435.314 4.064 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)C(C)(C)c2ccc3ccccc3c2)cc([N+](=O)[O-])c1C 744008164 YEDVHFJYNHBNKN-UHFFFAOYSA-N 426.494 4.148 5 20 IIBD CC(C)[C@@H](OC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(=O)Nc1ccccc1Cl 744615898 BUKXTXBPJHLKFE-HXUWFJFHSA-N 429.860 4.409 5 20 IIBD O=C(OC1CCN(C(=O)c2ccccc2F)CC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 747233582 KYWRZDUEEBRWGA-UHFFFAOYSA-N 440.349 4.214 5 20 IIBD COc1c(C)cnc(CN2CCC(N(C)C(=O)c3cccc(Cl)c3[N+](=O)[O-])CC2)c1C 749981353 MMLCBGCGZOKCOI-UHFFFAOYSA-N 446.935 4.005 5 20 IIBD Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(F)c1 750428057 CFPKJTSZQSECNJ-LBPRGKRZSA-N 429.429 4.350 5 20 IIBD Cc1nn(C)cc1[C@H]1CCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 750905547 SDHGHLNEAGLTJB-CYBMUJFWSA-N 427.686 4.030 5 20 IIBD COc1ccc(CN2C(=O)/C(=C\c3cc(O)ccc3[N+](=O)[O-])c3ccccc3C2=O)cc1 751205774 UOVSUHAKFHXECX-BKUYFWCQSA-N 430.416 4.032 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)C(=O)Nc1ccccc1Cl 751692052 ZIWQBWVVWJWMDU-MRVPVSSYSA-N 445.628 4.334 5 20 IIBD C[C@H](OC(=O)[C@H](C)c1ccccc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 751985848 MJLFNJJEDIMQKF-KGLIPLIRSA-N 425.466 4.392 5 20 IIBD COc1cccc(CC2CCN(C(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)CC2)c1 752839766 GHHZRNHEIICDCH-UHFFFAOYSA-N 427.457 4.223 5 20 IIBD CC(C)(C)OC(=O)N1CCC(n2cc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)cn2)CC1 754437475 SNEYPBILAQPCAT-UHFFFAOYSA-N 449.895 4.269 5 20 IIBD Cc1cc(-c2noc([C@H](C)N[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2)ccc1F 755165716 HMGBNBWMLJCYFV-NEPJUHHUSA-N 447.854 4.424 5 20 IIBD COc1ccc(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)cc1SC(F)(F)F 755247551 LFXDLHGZQYLHBD-UHFFFAOYSA-N 427.360 4.080 5 20 IIBD O=C(N[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1)c1cc2ccccc2o1 755582013 GSIQKEQDXSRFHE-OAHLLOKOSA-N 427.844 4.029 5 20 IIBD Cn1cc(CNCc2cc([N+](=O)[O-])ccc2Cl)c(-c2ccc3c(c2)OCCCO3)n1 756900669 WQHRZODCQPMGRT-UHFFFAOYSA-N 428.876 4.100 5 20 IIBD COc1ccc(Br)cc1CN(C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 756966907 JHMYARDMUKBQKZ-UHFFFAOYSA-N 442.697 4.361 5 20 IIBD Cc1cc(F)cc(C(=O)N2CCCN(C(=O)Nc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] 758461113 NZGLTNZLBZWBKG-UHFFFAOYSA-N 434.855 4.076 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl 759775136 RAYWLWPXKRGZFZ-GOSISDBHSA-N 433.940 4.493 5 20 IIBD COc1ccc(CNC(=O)N2CCC[C@@H]2c2c(C)nn(CC(C)C)c2Cl)cc1[N+](=O)[O-] 760157863 FEMODVIBIVPERB-MRXNPFEDSA-N 449.939 4.464 5 20 IIBD CCOc1cc(Cc2noc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)ccc1OC(F)F 761792744 KUUYVVLMCDYZRX-UHFFFAOYSA-N 436.327 4.144 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N(Cc1ccccc1)C[C@H](O)c1cccs1 764566061 LVBVAQBMKNVPCY-NRFANRHFSA-N 448.504 4.218 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)Cc1cc2ccccc2nc1N1CCOCC1 768215125 PAWLXEDYNKELKV-UHFFFAOYSA-N 426.904 4.265 5 20 IIBD Cc1cc(C)cc(N(CC(=O)Nc2ccccc2)S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 768837240 USZLYYKSUTZIIO-UHFFFAOYSA-N 445.522 4.107 5 20 IIBD Cn1cc([C@H](O)C[C@@H]2CCCN2Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cn1 770392858 WMJHWKKYKKYFSQ-MGPUTAFESA-N 430.892 4.330 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 770623334 BJALNKVOGMAZJF-UHFFFAOYSA-N 440.460 4.448 5 20 IIBD C[C@@H](Cc1noc(-c2cc(Br)cc([N+](=O)[O-])c2)n1)N(C)C(=O)OC(C)(C)C 771125294 MTROYPYZUAVEBE-JTQLQIEISA-N 441.282 4.205 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)OCc2ccc(Oc3ccccc3)c(F)c2)cc1[N+](=O)[O-] 771300279 FZGSVEUIBZFGAY-UHFFFAOYSA-N 445.424 4.287 5 20 IIBD COc1ccc(CSCc2nc(-c3c(Cl)nc4ccccn34)no2)cc1[N+](=O)[O-] 771341708 UGSNGMZQBSFCAV-UHFFFAOYSA-N 431.861 4.388 5 20 IIBD Cc1cc(S(=O)(=O)N(Cc2csc(Br)c2)C2CC2)cc([N+](=O)[O-])c1F 771777426 UFZOUKAREVBVHG-UHFFFAOYSA-N 449.323 4.220 5 20 IIBD Cc1cccc(O[C@H]2CCCC[C@H]2NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 772545763 UCMMARLCYQLVPZ-MJGOQNOKSA-N 431.876 4.002 5 20 IIBD C[C@H](C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1cn(C)c2ccccc12 774077212 LJOZXKRHXRDLCW-DLBZAZTESA-N 435.480 4.038 5 20 IIBD Cc1cc(C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)nn1-c1cccc(Cl)c1 777155096 RBCHWGAAEJTZBM-UHFFFAOYSA-N 439.815 4.149 5 20 IIBD COc1ccc(CCc2nnc(NCc3ccc(Br)c([N+](=O)[O-])c3)o2)cc1 777516752 NLDYKHKLTWJZAS-UHFFFAOYSA-N 433.262 4.146 5 20 IIBD O=C(COc1cccc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c1)Nc1ccccc1 777947817 XHRVJSPNBXXCKI-UHFFFAOYSA-N 441.390 4.343 5 20 IIBD COc1cc(COC(=O)c2c(C(C)C)nn(C)c2Cl)c([N+](=O)[O-])cc1OCC(F)F 780066726 FMXIFSFNAMXANA-UHFFFAOYSA-N 447.822 4.115 5 20 IIBD C[C@H](c1ccc(F)cc1)N(C)C(=O)COC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 781266879 BSBBAXSXBWJTIC-OAHLLOKOSA-N 432.451 4.197 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)c1ccc(Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 782957316 ZUITYAGRILXQJK-NSHDSACASA-N 441.531 4.389 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCCN(c4ncccc4F)CC3)c([N+](=O)[O-])c2)cc1 784021492 ANMPRUCGUDYDAK-UHFFFAOYSA-N 449.486 4.406 5 20 IIBD O=C(COC(=O)c1cc(F)c(Cl)cc1F)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 785610212 ORRMEIXDAWOMKT-UHFFFAOYSA-N 438.692 4.341 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)c2ccccc2C(F)(F)F)cc1OC 789002998 KFULBSWQUQDDOT-NSHDSACASA-N 441.358 4.449 5 20 IIBD CCc1ccc(OCC(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 789855275 GUSNTAXOKIOPSV-GFCCVEGCSA-N 440.374 4.125 5 20 IIBD CN(C[C@@H]1CCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C 790578179 YAYWLTGNJNFPPJ-ZDUSSCGKSA-N 443.903 4.035 5 20 IIBD CN(C)c1cc(F)c(C(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)cc1[N+](=O)[O-] 791208560 KDZUACKPXFBQCW-FQEVSTJZSA-N 434.899 4.020 5 20 IIBD C[C@H](NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])c1nnnn1C1CC1 791231593 WDWVZPGBJVWBIA-NSHDSACASA-N 444.904 4.212 5 20 IIBD CC(C)n1c([C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)C2)nc2ccccc21 791360731 PCGOJABUJAMQIQ-CQSZACIVSA-N 425.464 4.267 5 20 IIBD Cc1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1NC(=O)c1cccs1 792071270 WYGRIQSIEFJPBI-UHFFFAOYSA-N 441.421 4.482 5 20 IIBD COC(=O)c1cc(NC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)c(C)c([N+](=O)[O-])c1 792632324 WSAYAZZNPXIMBZ-UHFFFAOYSA-N 429.429 4.289 5 20 IIBD Cn1nc(C(F)F)c2cc(C(=O)O[C@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)sc21 796765652 MFDRLYQSEHTXOS-MNOVXSKESA-N 425.417 4.018 5 20 IIBD CC(C)(C)OC(=O)N1CCC(c2cnc(NC(=O)c3ccc(N)c([N+](=O)[O-])c3)s2)CC1 804817230 ZWVNOXLSXIIAOI-UHFFFAOYSA-N 447.517 4.000 5 20 IIBD COCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 812077667 GTSOSKBAJPIVLH-UHFFFAOYSA-N 446.511 4.035 5 20 IIBD O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)Oc1ccccc1OCC(F)(F)F 815010016 FONDZEOICPAEQL-UHFFFAOYSA-N 429.731 4.096 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC12CCC2 816848354 YYGDTTWKXXWMNP-INIZCTEOSA-N 431.533 4.311 5 20 IIBD O=C(Nc1nnc(C2CCOCC2)s1)c1cc(Br)cc([N+](=O)[O-])c1Cl 818963046 ZVXQFTHAMNNXOH-UHFFFAOYSA-N 447.698 4.009 5 20 IIBD CCn1ncc2c(C(=O)OCc3cc([N+](=O)[O-])ccc3OC)cc(-c3ccccc3)nc21 827304395 ZQRCNTKCEHFLSA-UHFFFAOYSA-N 432.436 4.392 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCc1noc(-c2ccsc2)n1 899221165 UHICGUUNGXKPDI-UHFFFAOYSA-N 442.375 4.271 5 20 IIBD C[C@@H](OC(=O)[C@@H](C)Oc1ccccc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 914641608 BKDNRVPUGKETRH-GHMZBOCLSA-N 427.240 4.239 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NC[C@@H](c1cccs1)N1CCOCC1 914863480 XQFHFXRTIKAZMA-AWEZNQCLSA-N 446.407 4.069 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)O[C@@H](C(=O)N2CCCC2)C(C)C)cc1 915443059 XNMVVFKJIFZBMZ-OAQYLSRUSA-N 442.468 4.200 5 20 IIBD O=[N+]([O-])c1ccc(NC(=S)NC[C@H]2CCN(c3ccc(Br)cc3)C2)cc1 917597520 LOBYZXMZQSKPLJ-CYBMUJFWSA-N 435.347 4.170 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)c1ccc(-n2ccnc2)cc1)c1cccc([N+](=O)[O-])c1 918633554 PNCSKLTZQHUZIC-OAQYLSRUSA-N 448.479 4.022 5 20 IIBD CSc1ccc(C(=O)OCC(=O)NCc2ccccc2OC2CCCC2)cc1[N+](=O)[O-] 918815355 HTPPGPLUHKKSQC-UHFFFAOYSA-N 444.509 4.111 5 20 IIBD C[C@H](OC(=O)c1cnn(-c2ccc(Cl)cc2)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 919378037 WFYADUNHDQIQNO-NSHDSACASA-N 449.250 4.271 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2cncc(Br)c2)c(-c2cccs2)c1 920767279 UOCZWRVUPZNDRK-UHFFFAOYSA-N 441.284 4.249 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O[C@H](C)C(=O)Nc1cc(Cl)ccc1F 920778019 GNCGKQDXQWUQKC-ZJUUUORDSA-N 445.230 4.378 5 20 IIBD Cc1cccc(CN2CCCC[C@H]2C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 1323350501 KWPJDKOLYILOML-AVRDEDQJSA-N 439.512 4.137 5 20 IIBD COc1cccc(-c2nc([C@H](NC(=O)OC(C)(C)C)c3ccccc3)no2)c1[N+](=O)[O-] 1324653840 KWSCLQKIRNOQEI-MRXNPFEDSA-N 426.429 4.268 5 20 IIBD CN(C[C@@H]1CCCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C1)C(=O)OC(C)(C)C 1325490410 YUAFHHCZGOUVOD-ZDUSSCGKSA-N 435.912 4.275 5 20 IIBD COCCn1c(Cc2ccccc2Cl)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 1357715086 VHYBLVQFIJXIPO-UHFFFAOYSA-N 441.919 4.246 5 20 IIBD CC(=O)Nc1ccc(C2(NC(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)CCC2)cc1 1787815898 OOEKELZHIKKUDR-UHFFFAOYSA-N 446.301 4.433 5 20 IIBD C[C@@H]1C[C@]1(C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3F)cc2)CCC1 1791183915 OSJYTVPCSFCBKP-CMJOXMDJSA-N 439.487 4.457 5 20 IIBD CC1(C)CCC(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 1800663174 XZXQGTXQLHIYTB-REPLKXPHSA-N 443.544 4.159 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2ccccc2)cc1)c1ccc([N+](=O)[O-])o1 1803824538 CYBKHVSEYNSRJH-WKCHPHFGSA-N 445.475 4.420 5 20 IIBD CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCc2cc(C)c(F)cc2[N+](=O)[O-])CC1 1824370115 OFEQFKAGUUCNHI-NRFANRHFSA-N 447.551 4.395 5 20 IIBD CC(C)[C@H]1CC[C@H](C(=O)N2CC3(CCCN3C(=O)c3cccc(F)c3[N+](=O)[O-])C2)CC1 1845406602 TZBFCZWPQPCFSA-QAQDUYKDSA-N 431.508 4.013 5 20 IIBD CCc1nc2ccccc2c(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1C 3474542 CULDPEKFIKMGBL-CQSZACIVSA-N 437.452 4.206 5 20 IIBD CSc1ccc(C(=O)OCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1[N+](=O)[O-] 9621683 JPDCKVZAEKDNOV-UHFFFAOYSA-N 446.815 4.367 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1 9636860 JXVZYDGXONARSL-UHFFFAOYSA-N 427.461 4.367 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)COc2ccc(F)cc2)c2ccccc2)c([N+](=O)[O-])c1 10148868 ZSBFURDEZAFQCN-JOCHJYFZSA-N 438.411 4.344 5 20 IIBD C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1 12670738 GGCYXECASXGNGD-IAGOWNOFSA-N 426.469 4.120 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)Cc2csc(-c3ccccc3)n2)cccc1[N+](=O)[O-] 25369043 WYHJCXGHLNKYQJ-CQSZACIVSA-N 425.466 4.140 5 20 IIBD CCc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 30031364 PLAOVPDVFAAKIC-UHFFFAOYSA-N 425.466 4.210 5 20 IIBD CC(=O)Nc1cc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)ccc1F 45872333 PQPQLSAMJZEQHE-ZIAGYGMSSA-N 428.464 4.427 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(NS(=O)(=O)c2ccccc2)c1 60414433 CVVAQNDXPDVFQJ-UHFFFAOYSA-N 443.506 4.126 5 20 IIBD O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)Nc1cccc(Oc2ccccc2)c1 60826409 LIHBXNOGJNBYTG-UHFFFAOYSA-N 442.431 4.250 5 20 IIBD C[C@H](Nc1cccc(I)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 69056197 BVCIJEDUAXHYJB-VIFPVBQESA-N 445.644 4.292 5 20 IIBD CN(C)C(=O)COc1cccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1 236963406 JOERMPZLMCVUSL-UHFFFAOYSA-N 443.887 4.265 5 20 IIBD COc1cc(CNC[C@@H]2CCN(c3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F 237445516 ICSHDGCJXXGKAJ-HNNXBMFYSA-N 439.434 4.161 5 20 IIBD CN(Cc1cccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1)Cc1cscn1 303570169 YLSONPGFMXLPPD-UHFFFAOYSA-N 448.508 4.121 5 20 IIBD Cc1cc(C)n(-c2ccccc2CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 426071612 UAZBFJKWGYHKPA-UHFFFAOYSA-N 447.417 4.416 5 20 IIBD Nc1nc(C2CCCC2)ncc1-c1noc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1 426193288 UJTSLATYDXKPGZ-UHFFFAOYSA-N 435.469 4.465 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CNC[C@H]3CN(Cc4ccccc4)CCCO3)cs2)c1 428550839 WDYFOWJXKRNTBY-QFIPXVFZSA-N 438.553 4.099 5 20 IIBD Cc1c(C(=O)N2CCCC[C@H]2c2ccc(F)cc2F)nnn1-c1cccc([N+](=O)[O-])c1 432843713 SDWUFBNFAJHEDW-IBGZPJMESA-N 427.411 4.130 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)s1 433163069 ALTGDNQXMCADEC-GOSISDBHSA-N 437.587 4.199 5 20 IIBD COc1c(F)cc(S(=O)(=O)N(C)c2ccc(OCc3ccccc3)cc2)cc1[N+](=O)[O-] 436190993 XRNVLZMDXVKTQS-UHFFFAOYSA-N 446.456 4.147 5 20 IIBD COc1ccc(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1Br 436337629 JRMLLWBZGIWOCP-UHFFFAOYSA-N 437.293 4.382 5 20 IIBD O=C1[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCCN1c1ccccc1Cl 437992022 YRFSKKPLFSQWSU-GOSISDBHSA-N 442.903 4.118 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 439898308 IUVAMFCPEXXVCJ-GOSISDBHSA-N 437.399 4.200 5 20 IIBD CC(=O)c1ccc(OCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1 440876224 AMODNGPQVXGTEI-UHFFFAOYSA-N 428.828 4.406 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(Br)s1 442726701 YJUGXUQANWOLGE-NXEZZACHSA-N 428.308 4.105 5 20 IIBD COc1ccc(CS(=O)(=O)Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)cc1[N+](=O)[O-] 443427516 IIFJSTGPVORVRV-UHFFFAOYSA-N 447.900 4.137 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 444735251 OLSZEWCIQHCQOW-HUUCEWRRSA-N 445.541 4.131 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 444896415 DJBBBWFPHQCKRU-CQSZACIVSA-N 441.419 4.204 5 20 IIBD Cc1cc(-c2cc(-c3nc(-c4c([N+](=O)[O-])ncn4C)no3)c3cnn(C(C)C)c3n2)c(C)o1 445573835 XXJLOAAGEVALDY-UHFFFAOYSA-N 448.443 4.248 5 20 IIBD COC1(CO)CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CC1 446975981 FGWGGMWGSHJYIQ-UHFFFAOYSA-N 436.917 4.013 5 20 IIBD Cc1ccc(-n2nc(C(=O)N3CCS[C@@H]3c3ccc([N+](=O)[O-])cc3)c3c2CCC3)cc1 460366621 RTHZRUCGYOFOGQ-HSZRJFAPSA-N 434.521 4.465 5 20 IIBD O=[N+]([O-])c1cccc(CN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCOC2)C2CC2)c1 461637559 ZGOWRMZTFMYTFB-KRWDZBQOSA-N 437.475 4.198 5 20 IIBD COc1cc(Cl)ccc1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 462288833 WTLNROBGCUUSFS-UHFFFAOYSA-N 425.677 4.042 5 20 IIBD O=[N+]([O-])c1ccc(N2CCc3c(cnn3-c3ccccc3)C2)nc1OCc1ccccc1 462515570 XGGQNSAYIGUXCY-UHFFFAOYSA-N 427.464 4.317 5 20 IIBD CSc1cccc([C@H](NC(=O)Cn2cc([N+](=O)[O-])nc2C)c2ccc(F)c(F)c2)c1 464115819 HZGZIKGBBIGOCQ-FQEVSTJZSA-N 432.452 4.006 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(CCc2ccc(C)cc2)C[C@@H]2CCCO2)cc1SC 464653294 ORENDRFJTGOJJF-SFHVURJKSA-N 444.553 4.498 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CC[C@@H](CC(C)C)C3)cc2)cc1[N+](=O)[O-] 465301101 DHSBRYSYHKCYEA-KRWDZBQOSA-N 445.541 4.212 5 20 IIBD Cc1cc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)ccc1Cl 468802732 CBTOCCWSYDDHCC-UHFFFAOYSA-N 437.886 4.098 5 20 IIBD O=C1CCC(=O)N1c1ccc(C(=O)N2CCC[C@H]2CCC2CCCCC2)cc1[N+](=O)[O-] 469610367 AINWFIOXCNXNFC-SFHVURJKSA-N 427.501 4.213 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1 470879013 FGMCZRDFXYJDPI-UHFFFAOYSA-N 440.500 4.060 5 20 IIBD C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1NC(=O)c1ccc([N+](=O)[O-])cc1Br 472501419 NUQKWQLGLVEYQG-HUUCEWRRSA-N 446.345 4.244 5 20 IIBD COc1ccc(CSCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)cc1Cl 478611585 VWGJEHDGSZANNL-UHFFFAOYSA-N 438.889 4.290 5 20 IIBD O=C(Nc1ccc(N2CCOCC2)c2ccncc12)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 480461489 JIBLGFQTSSXIAS-UHFFFAOYSA-N 447.495 4.176 5 20 IIBD O=C(CN[C@@H](c1cc(F)cc(Br)c1)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 481731579 VQBLIRNFDQEBDI-HXUWFJFHSA-N 448.292 4.126 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCC[C@@H](Cc4nccn4C)C3)c([N+](=O)[O-])c2)cc1 481979847 VLMVCFJBJDNGOU-SFHVURJKSA-N 433.512 4.348 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)c(F)c(C(=O)OC)c1 482662721 OWADIEDWCYRIAM-UHFFFAOYSA-N 442.852 4.165 5 20 IIBD CCOc1cc(N2CCN([C@@H](C)C(=O)Nc3ccccc3C(C)C)CC2)ccc1[N+](=O)[O-] 482897646 VQQSCDMXYODJJR-SFHVURJKSA-N 440.544 4.266 5 20 IIBD Cc1c(NC(=O)CCN2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)cccc1[N+](=O)[O-] 485365144 VLLLZCACJFMTAJ-QPPBQGQZSA-N 436.556 4.218 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C2CCC2)cc1 487656556 VNMOLTPIUCYJKR-HXUWFJFHSA-N 427.526 4.353 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(OC[C@H](OC(C)C)c2ccccc2)c([N+](=O)[O-])c1 488262495 LIXKHXRPVFNKGV-NRFANRHFSA-N 436.530 4.170 5 20 IIBD COCCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@H](C)c1cccc(C(F)(F)F)c1 488496002 PWZQGUCOSZEBPQ-GFCCVEGCSA-N 440.374 4.192 5 20 IIBD CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)ccc1Cl 489168364 CBCVSVSKXDZZSJ-UHFFFAOYSA-N 426.860 4.491 5 20 IIBD CCc1nnc(O)c(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)c1CC 490560243 DJFIINSZTBQWIV-UHFFFAOYSA-N 438.509 4.296 5 20 IIBD O=C(NCCc1nnc(-c2ccccc2)o1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 491204409 ZCJWSSRKAWEHBD-UHFFFAOYSA-N 444.447 4.196 5 20 IIBD Cc1c(C(=O)N2CCCC[C@@H]2c2ccc(C(C)C)cc2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 497488166 KVFWOAHHOINNNV-HXUWFJFHSA-N 445.541 4.041 5 20 IIBD O=C(c1cc(N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)ccc1[N+](=O)[O-])N1CCCC1 497558835 ZGGWJZTUZRVIME-FQEVSTJZSA-N 447.438 4.010 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H](C)c3cn(C)nc3C)c([N+](=O)[O-])c2)c(C)c1 498932262 XGZMEIYWYNIXGF-HNNXBMFYSA-N 443.529 4.227 5 20 IIBD O=C(CCCc1ccccc1)N1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 499490922 LGHKSGFPNHRPAR-UHFFFAOYSA-N 437.521 4.117 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1C 501837716 CEYOMNRFFCZZEQ-UHFFFAOYSA-N 431.495 4.326 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N[C@@H]1CCCOc2ccccc21 504192986 CLAOPFZHHMNKPK-GOSISDBHSA-N 431.514 4.095 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@@H](c2cccs2)N(C)C)cc1[N+](=O)[O-])c1ccccn1 505997021 RKNFAGFPONLCQE-YWZLYKJASA-N 439.541 4.257 5 20 IIBD COc1ccc([C@H]2C[C@H](NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)C2)cc1F 506306626 OVIVJCYRSXEHFK-IYARVYRRSA-N 430.479 4.365 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@H](c1c(F)cccc1F)C(F)(F)F 508078214 HTZUDDRWDHRUSD-GOSISDBHSA-N 441.312 4.220 5 20 IIBD O=C(c1cccc(COc2cccc(F)c2)c1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 510074022 TVNWTAVKZZOHBD-UHFFFAOYSA-N 435.455 4.275 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C 510552443 QKDVNWAUBBLCTL-IIBYNOLFSA-N 431.558 4.063 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3ccc(C(=O)N(C)C)c(Cl)c3)cc2[N+](=O)[O-])CC1 511488515 OJJQDQZOIVSJEQ-UHFFFAOYSA-N 444.919 4.439 5 20 IIBD COC[C@H](NCc1cc(I)cc([N+](=O)[O-])c1)c1cccc(Cl)c1 514892964 JQZBIPQPOIBYGS-INIZCTEOSA-N 446.672 4.330 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(-c2ccc(OC(F)F)cn2)no1 516779074 CICJMGUZAFCQBQ-UHFFFAOYSA-N 427.161 4.379 5 20 IIBD Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 516947737 ZFDQNQDKMQZCSB-UHFFFAOYSA-N 443.301 4.214 5 20 IIBD Cc1sc(NC(=O)[C@@H]2CSCN2C(=O)CC(C)(C)C)nc1-c1cccc([N+](=O)[O-])c1 517346332 SDPBLWNGNWHIFD-HNNXBMFYSA-N 448.570 4.303 5 20 IIBD CC(C)N(Cc1cccc(F)c1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 517490580 YUXKATSTNCBKGY-UHFFFAOYSA-N 431.283 4.096 5 20 IIBD CN1CCN(C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c2ccccc2)CC1 517551313 DIVLDNHTXRSIGI-QHCPKHFHSA-N 436.581 4.402 5 20 IIBD CC[C@H]1CCCN(C(C)(C)CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 518437789 RDNWRZNYOHNWFN-AWEZNQCLSA-N 431.455 4.166 5 20 IIBD CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 520097755 SXCBTRANDRTKNK-UHFFFAOYSA-N 448.401 4.056 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1csc(Br)c1 521649286 GRJBAYYSZVTKCD-UHFFFAOYSA-N 427.323 4.295 5 20 IIBD Cc1nn(-c2ccc(Br)cc2)c(NC(=O)COc2ccccc2[N+](=O)[O-])c1C 522879767 ZBQOCYWXBWIETQ-UHFFFAOYSA-N 445.273 4.177 5 20 IIBD O=C(NCCCNc1ccccc1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 522880238 RDESPUNZYKEBDA-UHFFFAOYSA-N 434.283 4.319 5 20 IIBD COc1cc(C)ccc1Oc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cn1 523730791 KAWOVSNBXXCPSQ-UHFFFAOYSA-N 429.454 4.208 5 20 IIBD CC(=O)N(Cc1ccc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1)C(C)C 523890142 MHVXBXQPYYCDLU-UHFFFAOYSA-N 435.484 4.005 5 20 IIBD Cc1cc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c(C)n1C1CCCCC1 524416962 BGSCBXCFTUQFRL-UHFFFAOYSA-N 444.557 4.178 5 20 IIBD CC(C)OCc1ccccc1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 525186442 VHHWIYNRDHVJNC-UHFFFAOYSA-N 433.313 4.305 5 20 IIBD Cc1cc(Br)cc([N+](=O)[O-])c1OCC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 532418623 YJMDPXLCRIXNIZ-UHFFFAOYSA-N 433.258 4.157 5 20 IIBD COc1cc(N[C@@H]2CCCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)cc(OC)c1 534106888 WXAGJVRZKZQFOZ-QGZVFWFLSA-N 438.484 4.344 5 20 IIBD CC[C@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccc(C)cc1)n1cncn1 534456318 ZDHKJPAIOHEDHG-TYCQWZJGSA-N 439.541 4.160 5 20 IIBD CCCCN1C(=O)CC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)[C@H]1c1ccccc1OC 536196385 GGHJFILFXLADGB-VGOFRKELSA-N 441.484 4.028 5 20 IIBD COc1ccc(-c2nc(C)c(C(=O)NCCc3cccc([N+](=O)[O-])c3)s2)cc1OC 536245614 TZFYVTNLTOARJL-UHFFFAOYSA-N 427.482 4.016 5 20 IIBD C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](C(=O)Nc1ccccc1)c1ccccc1 539075100 UVUMGCFQLJLMEO-HXOBKFHXSA-N 432.480 4.282 5 20 IIBD C[C@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccc([S@@](C)=O)cc1 539642357 RTYQRYFKLOUJMX-AZYRPFHASA-N 437.521 4.435 5 20 IIBD Cc1nn(C)c(NC(=O)NCc2ccccc2[N+](=O)[O-])c1-c1ccc(Br)cc1 540082033 HOAZZNNDNSGHBB-UHFFFAOYSA-N 444.289 4.388 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)c1 541801609 GKRGLPBDBSXMFV-AWEZNQCLSA-N 445.541 4.193 5 20 IIBD CCOc1ccc(NC(=O)CN[C@H](C)c2cc3cccc(OCC)c3o2)c([N+](=O)[O-])c1 542588337 KFIZKICFKOZPOO-CQSZACIVSA-N 427.457 4.428 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)cc1[N+](=O)[O-] 543008621 ALWBAIDLBQGKIF-QFIPXVFZSA-N 445.431 4.194 5 20 IIBD CCCc1c(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cnn1-c1cc(C)ccn1 545490668 PTKMVDRQIILBBL-UHFFFAOYSA-N 431.399 4.290 5 20 IIBD CN(C)C(=O)C[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c2ccc(Cl)cc21 545832420 OYCDIPHIPRPXSP-CYBMUJFWSA-N 447.894 4.274 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccc(Cl)cc2)c2ccn(C)n2)cc1SC 547234950 YVJOBYZOEWKVIB-LJQANCHMSA-N 446.916 4.232 5 20 IIBD O=[N+]([O-])c1cccc(OCc2nc(Cc3c[nH]c4cc(Br)ccc34)no2)c1 547247319 NYSZNQYOKRADPW-UHFFFAOYSA-N 429.230 4.391 5 20 IIBD CCOc1ccc(CNC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1Cl 551339176 NCFRGDIBIAEAFJ-UHFFFAOYSA-N 442.903 4.439 5 20 IIBD COc1ccncc1CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 554080032 BHFYXFJULQTGJE-UHFFFAOYSA-N 426.860 4.194 5 20 IIBD CC(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 555362428 TWRKWZISCXPCNH-UHFFFAOYSA-N 447.902 4.340 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccc(Cn3ccnc3)cn2)cc1[N+](=O)[O-])c1ccccn1 561382245 RWLGOPTZZNKYRQ-INIZCTEOSA-N 443.467 4.055 5 20 IIBD Cc1ccc(CN2C(=O)CC[C@@H]2c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)cc1 561909220 GEAWHTFCCSMQMA-HXUWFJFHSA-N 431.452 4.222 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)N1CCC[C@@H]1c1ncon1 564360873 GRCCZGIPLZOGPP-QZTJIDSGSA-N 427.848 4.148 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1cc(-c2ccc(OC)cc2)cs1 570209588 OCYVDCWUEXIICU-UHFFFAOYSA-N 439.493 4.149 5 20 IIBD CCOc1ccc([C@@H](C)NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc1OCC 570494441 UUVDUSTZECLQAH-OAHLLOKOSA-N 429.473 4.057 5 20 IIBD NS(=O)(=O)c1c(N[C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] 571309405 HIRCVBDWEARCQL-KBPBESRZSA-N 429.420 4.009 5 20 IIBD Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 577043457 MJEIDCORQNRWCP-PGRDOPGGSA-N 433.512 4.289 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1Sc1nnc(-c2ccccc2Cl)n1CCCOC 584193403 MZQWFCWTXJTURS-UHFFFAOYSA-N 436.925 4.219 5 20 IIBD CC[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ncc(-c2ccccc2)[nH]1 584734527 ABTQTDFTJSBUDE-GOSISDBHSA-N 449.511 4.488 5 20 IIBD O=C(c1cc(C(=O)N2CCC[C@H](C3CC3)C2)cc([N+](=O)[O-])c1)N1CCC[C@H](C2CC2)C1 589527106 XQPJZVFLTBRHDF-OALUTQOASA-N 425.529 4.119 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H](CO)Cc3ccccc32)cc1 590408248 SNOKLMQZLIGEQT-INIZCTEOSA-N 434.448 4.207 5 20 IIBD COc1ccc(NC(=O)CSc2nnc(C[C@@H](C)c3ccccc3)o2)c([N+](=O)[O-])c1 594638950 NFSFXHAFLMPMAJ-CYBMUJFWSA-N 428.470 4.063 5 20 IIBD Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] 603982121 AXJIPAQRIQZVNB-GJZGRUSLSA-N 445.541 4.131 5 20 IIBD CCCC(=O)Nc1nc2ccc(NC(=O)CCOc3ccccc3[N+](=O)[O-])cc2s1 604113524 ZAHQEKWJRYTEBP-UHFFFAOYSA-N 428.470 4.351 5 20 IIBD O=C(Cc1cc2ccccc2o1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 604286077 GQHFSRBMEVJXKM-UHFFFAOYSA-N 433.386 4.251 5 20 IIBD COc1cc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)ccc1OCCC(C)C 608938999 RDDBGEYLBPVWAR-OAHLLOKOSA-N 444.484 4.291 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cc(Br)ccc2Cl)cc([N+](=O)[O-])c1 608945269 BTNPMCIZIPNYJD-UHFFFAOYSA-N 427.638 4.440 5 20 IIBD Cc1ccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1NC(=O)C(C)(C)C 609511953 QZXFVSPJFJLGMH-UHFFFAOYSA-N 425.894 4.342 5 20 IIBD O=C(Nc1cccc(N2CCCNC2=O)c1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 610299663 AJJKOTOWKGUCDB-UHFFFAOYSA-N 445.479 4.379 5 20 IIBD CC(C)N1CCN(C2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)CC2)CC1 611276097 KRLIIMYKOZWKOZ-UHFFFAOYSA-N 428.602 4.314 5 20 IIBD Cc1ccnc(NC(=O)CN(C)C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])c1 619669472 UBEQCAPIVRZDSL-UHFFFAOYSA-N 436.493 4.160 5 20 IIBD Cc1ccc(-c2ccncc2)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 726153286 UYCVKXMCKIZMSG-KRWDZBQOSA-N 434.427 4.096 5 20 IIBD COc1cc(COC(=O)c2ccc(Cl)cc2NC(C)=O)c([N+](=O)[O-])cc1OC(F)F 727527955 PUEOHBNXKQBQOO-UHFFFAOYSA-N 444.774 4.174 5 20 IIBD COc1ccccc1/C(C)=C\C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 727587303 KAEOOQKGFYOJJS-XFXZXTDPSA-N 438.358 4.207 5 20 IIBD Cc1nc(C(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)nn1-c1ccc(F)cc1 728166379 GAVYKKBOPYCTHX-UHFFFAOYSA-N 429.839 4.333 5 20 IIBD Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 728170457 NEKHMJFQQLWVKD-UHFFFAOYSA-N 442.859 4.244 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)cccc1[N+](=O)[O-] 729780585 JPGJMYMAGGEYFS-CYBMUJFWSA-N 443.843 4.325 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1 730631317 NTQWMIATPVOELX-UHFFFAOYSA-N 447.419 4.185 5 20 IIBD COc1ccc(CSCC(=O)NCc2ccc(Br)cc2F)cc1[N+](=O)[O-] 732026320 PSYBHXBSUGBRCN-UHFFFAOYSA-N 443.294 4.055 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 732028531 YJJYUAFUEQZRCN-UHFFFAOYSA-N 440.500 4.206 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(CN(C)C(=O)OC(C)(C)C)c1 732525845 RVXGSWDSEAKVJE-UHFFFAOYSA-N 435.502 4.071 5 20 IIBD O=C(Nc1nc(-c2ccc(-n3cccn3)cc2)cs1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 732746127 FUZVVCJJEWJNOR-UHFFFAOYSA-N 436.409 4.065 5 20 IIBD O=C(Nc1ccccc1C(=O)NCc1cccc(O)c1)c1ccc([N+](=O)[O-])cc1Cl 733885432 DEHDFEXKYDLMGR-UHFFFAOYSA-N 425.828 4.136 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])cc2)CCO1 736492145 MAKKARKNNDYUAU-ZDUSSCGKSA-N 439.390 4.013 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NC[C@H](O)c2ccsc2)c([N+](=O)[O-])c1 739889788 IDGYVXHITISIRS-FQEVSTJZSA-N 447.538 4.017 5 20 IIBD CC(C)CNC(=O)N1CCC[C@@H](C(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)C1 741184153 VTIFHYXCDPRRRA-MRXNPFEDSA-N 436.940 4.069 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1[N+](=O)[O-] 742026102 XNTORQKNOCGDFU-UHFFFAOYSA-N 432.458 4.219 5 20 IIBD CC(=O)N(C)c1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2-c2cccs2)cc1 742271714 QOAGKMYKMBYSRR-UHFFFAOYSA-N 432.479 4.074 5 20 IIBD O=C1CCCN1C[C@H](Nc1nc2ccccn2c1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 742411272 MIFGQRVWUMJNEI-HNNXBMFYSA-N 433.390 4.037 5 20 IIBD COc1cc(C(=O)OCc2nc(C)c(C)s2)c([N+](=O)[O-])cc1OCc1cscn1 744255334 LJHCFJMKEADGCX-UHFFFAOYSA-N 435.483 4.069 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)OCc1ncc(-c2cccc(Br)c2)o1 744517664 CUSPBCJZCLSTEI-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 745438818 WVDMAQCQSFFCNG-UHFFFAOYSA-N 449.250 4.191 5 20 IIBD COc1ccc(CCC(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1Cl 749359538 WBEGBIQYRGPNIF-UHFFFAOYSA-N 433.892 4.044 5 20 IIBD C[C@@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1cc2c(cc1Br)OCCO2 749915439 HAXXQNWWRGOBLT-SECBINFHSA-N 441.665 4.273 5 20 IIBD CC1CCN(C2CCC(NC(=O)c3cc(F)cc([N+](=O)[O-])c3Br)CC2)CC1 752452747 WVODCRZIIIODKL-UHFFFAOYSA-N 442.329 4.269 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CC[C@H](Oc2cccc(F)c2)C1 753214397 LUCFHDJSFVGDRI-ZDUSSCGKSA-N 443.656 4.443 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCc2ccn(-c3ccc(F)cc3F)n2)cc1SC 753400707 QZICCJCAKDVKFK-UHFFFAOYSA-N 435.408 4.146 5 20 IIBD CC(=O)CCCCCCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 754391873 DJXFJPCAFKHXJN-UHFFFAOYSA-N 429.439 4.192 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c(Br)c1 756772577 MQDJVSWTXSPYGS-NSHDSACASA-N 446.257 4.331 5 20 IIBD CC[C@@H]1CN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC[C@@H]1NC(=O)OC(C)(C)C 757340677 YDSBECQIUXJJNU-DAYGRLMNSA-N 437.562 4.227 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(N2CCC[C@@H]2C(C)C)c(F)c1 760436265 RRBHOXXCFIUFCE-QZTJIDSGSA-N 446.527 4.230 5 20 IIBD CC(C)C[C@H](OC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccccn1 761376637 QQAWXSSXABCZEE-KRWDZBQOSA-N 427.486 4.214 5 20 IIBD CN1CC[C@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 762736324 TYNXYGMDNWQVCZ-XIKOKIGWSA-N 426.275 4.464 5 20 IIBD CC(C)N(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 765172180 TXZGTTOIUHFRGG-UHFFFAOYSA-N 431.283 4.096 5 20 IIBD O=C(Nc1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc([N+](=O)[O-])c(Cl)c1 765471737 AJPPUECQOCDMBG-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD CCCc1[nH]nc(-c2nc(-c3ccc(CNC(=O)OC(C)(C)C)cc3)no2)c1[N+](=O)[O-] 766891024 IZPDSHWRVXCNAL-UHFFFAOYSA-N 428.449 4.012 5 20 IIBD CN(CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1)C(=O)OC(C)(C)C 769760857 VDHMTTBMWGXDRC-UHFFFAOYSA-N 425.913 4.357 5 20 IIBD C[C@@H](OC(=O)c1ccc(C(=O)OC(C)(C)C)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 771124253 FLSPILJVDQHJJJ-GFCCVEGCSA-N 448.859 4.388 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H](C)[C@@H](O)c2ccc(F)cc2)cc1 771685029 JQZVNECKQQMCDX-JLCFBVMHSA-N 440.427 4.387 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H](C)[C@H](O)c2cccc(F)c2)cc1 771739774 SSFKRLIHLYSXNF-PEBXRYMYSA-N 440.427 4.387 5 20 IIBD Cc1nnc(N(CCC(C)C)C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c2ccccc12 772417532 SUEPCWTYIINQMT-UHFFFAOYSA-N 432.484 4.275 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCN(Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)C2)CC1 773261962 VSAQNRXMOUENCU-UHFFFAOYSA-N 441.532 4.139 5 20 IIBD Cc1nn(CC(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)cc1-c1ccccc1 773480223 FYFYPRPZBPPMLX-UHFFFAOYSA-N 430.258 4.273 5 20 IIBD CN(Cc1ccn(-c2ccccc2)n1)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] 774653918 NFWHLJFQEVHVOU-UHFFFAOYSA-N 427.333 4.466 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCc2cccc(NC(=O)OC(C)(C)C)c21 775773872 RNLWXJYDQZRRKS-UHFFFAOYSA-N 426.473 4.251 5 20 IIBD O=[N+]([O-])c1ccccc1Cc1noc(C[C@@H](O)c2ccc(OCc3ccccc3)cc2)n1 777709983 QDCGYQMKVUGAHI-JOCHJYFZSA-N 431.448 4.424 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)OCc1ccc([N+](=O)[O-])cc1Cl 778335562 XHZHBBUOLCVKDE-GOSISDBHSA-N 436.917 4.152 5 20 IIBD C[C@@H](OC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 780072713 SXBVZXJPHCQXSJ-SSDOTTSWSA-N 433.631 4.445 5 20 IIBD COc1ccc(C(=O)c2ccccc2C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 781294710 CYBYOMGLFURYSP-HNNXBMFYSA-N 448.431 4.018 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc(Br)cnc1Cl 787947533 SPHKPTNSSRCWHW-SSDOTTSWSA-N 435.061 4.465 5 20 IIBD Cc1ccc2cc(C(=O)N3CCc4c(Br)ccc([N+](=O)[O-])c4C3)ccc2n1 791243877 GMJSKPTVCPTNSG-UHFFFAOYSA-N 426.270 4.412 5 20 IIBD O=Cc1ccc(OCC(=O)NC2(c3cc(C(F)(F)F)ccc3Cl)CC2)c([N+](=O)[O-])c1 791437651 NYVQRGXINWXOCF-UHFFFAOYSA-N 442.777 4.264 5 20 IIBD O=C(Nc1ccccc1C(=O)OC[C@H]1CCC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1Cl 795286354 JBAREDDUFHOOAB-ZFWWWQNUSA-N 432.860 4.208 5 20 IIBD CCCc1nc(C)c(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)o1 796551796 HEGBHCPTUXVHGL-LBPRGKRZSA-N 444.469 4.151 5 20 IIBD COc1ccc(-c2nc(COC(=O)COc3ccc([N+](=O)[O-])c(C)c3)cs2)c(OC)c1 797493163 LDXBOVPBJKTMKO-UHFFFAOYSA-N 444.465 4.166 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)CC1 799053256 OVMFCSJJPNFFBS-ZNUVSDCZSA-N 429.561 4.233 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCC[C@@H](C)c1cccc(C(F)(F)F)c1 800613703 HRLQRGYIZGDWNY-LLVKDONJSA-N 441.381 4.310 5 20 IIBD CCC(CC)n1nccc1C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 801698858 LWQXTGAZEYWDKD-UHFFFAOYSA-N 428.230 4.009 5 20 IIBD C/C(=C\c1ccccc1C(F)(F)F)COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 802253368 WDSVABPBUPZJRU-FMIVXFBMSA-N 443.399 4.277 5 20 IIBD COc1ccc2cc(NC(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)ccc2c1 803456486 XCABCFHTLCVOBO-UHFFFAOYSA-N 435.465 4.289 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 804176073 ACHBRJCATGCNLC-UHFFFAOYSA-N 442.653 4.234 5 20 IIBD C[C@@H](Cc1cncc2ccccc12)C(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 805871826 NBJYYBRGBUCXRB-KRWDZBQOSA-N 434.496 4.176 5 20 IIBD O=C(Nc1ccc2nc(C(F)F)sc2c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 806692097 OWTSKCFMBZIINA-UHFFFAOYSA-N 433.440 4.496 5 20 IIBD C[C@@H](Cc1nc2ccccc2s1)NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl 809395380 KYRMMOPBIPOSFZ-VIFPVBQESA-N 446.337 4.421 5 20 IIBD O=C(C[C@H]1CCCN1S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)c1ccccc1 809396846 GMHQKGNXNOLOCF-CYBMUJFWSA-N 443.308 4.328 5 20 IIBD CC(=O)Nc1cccc2c1CCCN2S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 809810917 ROSDOWWBVWRDOE-UHFFFAOYSA-N 444.296 4.002 5 20 IIBD O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCN(CC(F)(F)F)CC1 811220272 ZPSVIFXOTRCQMD-UHFFFAOYSA-N 429.420 4.036 5 20 IIBD COc1cccc(-c2nc(COC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)cs2)c1 849195177 OYBYXCOBYQFKLP-UHFFFAOYSA-N 436.449 4.270 5 20 IIBD Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c(Cl)c1 855086253 STBXEIFNFXMQAT-AWEZNQCLSA-N 442.859 4.235 5 20 IIBD C[C@@H](CO)n1c(C(F)(F)F)nc2cc(NCc3c(F)cc([N+](=O)[O-])cc3F)ccc21 864039461 FMOUGOYGDLTPBM-VIFPVBQESA-N 430.333 4.407 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCCc3cc(C(C)C)ccc32)cc1OC 915166043 WQMRWRYUUUKOJH-UHFFFAOYSA-N 428.485 4.345 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(Cn3nc(-c4ccc5ccccc5c4)oc3=S)CC2)cn1 917428322 GIYKFLZLHIEBOP-UHFFFAOYSA-N 448.508 4.109 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)c3cccnc23)cc1Br 918154505 ACDYUPSGQNTCER-UHFFFAOYSA-N 442.678 4.360 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@H](C)c1ccc(F)c(F)c1 918764513 HXBQLXBTHOTSLB-XIKOKIGWSA-N 438.452 4.029 5 20 IIBD CCOc1ccc(C(=O)OCC(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-] 918994317 LWZVEUTTYSEFDK-CQSZACIVSA-N 426.425 4.116 5 20 IIBD COc1cccc([C@H](C)C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)c1 919850158 RFMKDDMNHYMNQJ-FXAWDEMLSA-N 440.496 4.335 5 20 IIBD O=C(Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1)c1ncoc1[C@H]1CCCO1 1116070401 LQELQBSNSXQUFL-GOSISDBHSA-N 448.387 4.427 5 20 IIBD CCOC(=O)C[C@H]1CCCN1C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 1116676942 YJJUZRIDMPQKAZ-CQSZACIVSA-N 435.527 4.069 5 20 IIBD COc1ccc2c(c1)c(C(=O)N1CCN(c3ccccc3[N+](=O)[O-])CC1)c(C)n2C1CC1 1318438841 FYIGYIPPHALYQF-UHFFFAOYSA-N 434.496 4.164 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1ccc(F)cc1OC(F)F 1320059396 OIDUUOBKLLXSCY-NSHDSACASA-N 427.379 4.023 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C1 1323838295 NZHLSCINHDPZLW-STQMWFEESA-N 435.912 4.321 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1324606457 CCNREOLMECJXOO-GFCCVEGCSA-N 429.274 4.253 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(c2nc3ccccc3o2)CC1 1340067459 CEEKTSXHOSVJDJ-UHFFFAOYSA-N 448.483 4.025 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)O[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1[N+](=O)[O-] 1515054089 JWWXDSMYHQJLHB-WCQYABFASA-N 430.408 4.152 5 20 IIBD O=C(Cc1ccc(F)cc1)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1 1785748555 QZFYTARSDAUHCP-UHFFFAOYSA-N 437.427 4.317 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)NC1(c2ccc(NC(=O)c3ccon3)cc2)CCC1 1787542516 WJTWKLXJCNWYRM-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD O=C(Cc1ccccn1)Nc1ccc(C2(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)CCC2)cc1 1788282981 NRSBGRXXXAJDHM-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)CCC2)cc1)c1ccc(O)cc1 1790308489 JUQXIDMHPZKRQC-UHFFFAOYSA-N 447.447 4.068 5 20 IIBD Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)C3)cc1Cl 1792729559 INCADDUTLMYYCG-REIKKDASSA-N 443.887 4.115 5 20 IIBD CC(C)c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C3)cc1 1799711780 FZWJLNZHKZZVSS-REPLKXPHSA-N 439.487 4.423 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CCC2CCC2)[nH]n1)c1cc(F)cc([N+](=O)[O-])c1 1821163386 NQJRSFCNHBIEAY-IBGZPJMESA-N 443.479 4.343 5 20 IIBD Cc1occc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1825909512 NGXHTXNZRBPJBY-OAQYLSRUSA-N 443.475 4.182 5 20 IIBD Cc1ccccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 1829943409 SSIWFOTUNKQWGA-LJQANCHMSA-N 425.485 4.043 5 20 IIBD O=C([C@@H]1C[C@H]1C1CC1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830617214 UKAAIPBWZFEWSI-QKNQBKEWSA-N 443.519 4.013 5 20 IIBD CC(C)c1ccc(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C3)cc1 1844951251 AWXLRKMBKMMEIQ-OUKQBFOZSA-N 433.508 4.249 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nc(C2CC2)nn1-c1ccccc1 10080991 YFNGKSUDEWXNGQ-CYBMUJFWSA-N 439.497 4.181 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 10274034 VIFUCWTVOVQQNL-UHFFFAOYSA-N 430.386 4.124 5 20 IIBD CCNc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1[N+](=O)[O-] 14583326 PCUBQAPSUVOOAR-UHFFFAOYSA-N 426.454 4.174 5 20 IIBD CC[C@H](C)Cc1c(C)sc2nc(SCc3ccc(C(N)=O)cc3[N+](=O)[O-])[nH]c(=O)c12 16132497 BHAWRSVGMOEAFW-JTQLQIEISA-N 446.554 4.181 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(NCc2ccc(F)cc2)s1 16334844 TZLRNGKVNHAUDH-UHFFFAOYSA-N 433.490 4.237 5 20 IIBD Cc1c(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 21534034 ZANGMAMIHPENQK-UHFFFAOYSA-N 427.442 4.274 5 20 IIBD C[C@H](Sc1nc(-c2ccccc2Br)n[nH]1)C(=O)Nc1ccccc1[N+](=O)[O-] 21746074 YWUUJZUKHLMWKP-JTQLQIEISA-N 448.302 4.262 5 20 IIBD C[C@H](OC(=O)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 22445048 IURSHFFUGQRAGJ-AWEZNQCLSA-N 426.425 4.210 5 20 IIBD C[C@H](OC(=O)[C@H](C)Oc1cccc(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 24979958 YQFQKJHLSJKEAU-QWRGUYRKSA-N 427.240 4.239 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cc(NC(=O)c2ccccc2)ccc1C 59801752 FDVDBIBGMBZWEQ-UHFFFAOYSA-N 434.452 4.215 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2cccc(NC(=O)C3CCCC3)c2)c1 60406627 YYBWYDGCFPYDEX-UHFFFAOYSA-N 425.485 4.117 5 20 IIBD Cc1sc2nc(CS[C@@H](C)C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)[nH]c(=O)c2c1C 108285718 HETWTKNIDSNMAK-YPMHNXCESA-N 446.554 4.009 5 20 IIBD CC(C)n1c([C@H]2CCCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])C2)nc2ccccc21 301335665 NTJHCUZHKQQBLN-INIZCTEOSA-N 442.541 4.313 5 20 IIBD O=C(c1ccccc1C(F)(F)F)N1CCC(Nc2c([N+](=O)[O-])ccc3c2CCN3)CC1 302881807 JKNFSIHDPUYYOM-UHFFFAOYSA-N 434.418 4.298 5 20 IIBD Cc1csc([C@@H](NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C2CC2)n1 304074124 UWNIJIVOKVFYJS-INIZCTEOSA-N 428.436 4.448 5 20 IIBD CCNC(=O)Nc1ccc(C)c(NCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])c1 426544326 MWIDQPFCGXAVPO-UHFFFAOYSA-N 438.431 4.309 5 20 IIBD CO[C@H](C)c1nc(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cs1 426638191 PGOWDIPEGRWORT-CQSZACIVSA-N 427.482 4.268 5 20 IIBD COc1ccc(CSCC(=O)N2CCCCC[C@H]2[C@H]2CCCCC2=O)cc1[N+](=O)[O-] 426892224 VNAREWCSTWZUKT-MSOLQXFVSA-N 434.558 4.367 5 20 IIBD COc1cccc(Cc2nnc(NC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])s2)c1 433124501 CXIDTJGLZPNDHM-UHFFFAOYSA-N 427.486 4.103 5 20 IIBD CCCOc1ccccc1Oc1ncccc1CNC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] 433832922 LNRDOGBYAUMTDU-UHFFFAOYSA-N 439.472 4.347 5 20 IIBD O=C(c1ccccc1O)N1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 436695414 FBOVPBOTTPMVOJ-UHFFFAOYSA-N 441.871 4.172 5 20 IIBD O=C(Nc1ccccc1Cc1ccccc1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 437076019 UFFUHWUWJGUUON-UHFFFAOYSA-N 429.476 4.315 5 20 IIBD COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)CC3 437153560 GXOZGEWCONWKKX-UHFFFAOYSA-N 447.369 4.080 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCCC1 437678396 NVGSDMHOESYDOD-JOCHJYFZSA-N 438.528 4.115 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1cccc(C(=O)c2ccccc2)c1 438655545 LDTIAZGTTCLXGA-UHFFFAOYSA-N 445.475 4.202 5 20 IIBD COC(=O)c1occc1CN(C(=O)Cc1cccc([N+](=O)[O-])c1C)[C@H](C)c1ccccn1 438907518 PDPQUBFLNSRFKE-MRXNPFEDSA-N 437.452 4.010 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC([C@H]3CCCO3)CC2)cc1 439882535 QCGDRTDMJCGSBX-OAQYLSRUSA-N 426.469 4.427 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(COC2CCOCC2)cc1 439897606 HWLALJSNFAROMZ-UHFFFAOYSA-N 429.473 4.011 5 20 IIBD Cc1ccc(Sc2nsc(NC(=O)c3cc(O)nc4ccc([N+](=O)[O-])cc34)n2)cc1 440316135 OCLISABEXIRGRH-UHFFFAOYSA-N 439.478 4.412 5 20 IIBD O=C(Cc1noc(Cn2ccc3cc([N+](=O)[O-])ccc32)n1)Nc1c(Cl)cccc1Cl 445365008 PKFXGCMNHUUOAF-UHFFFAOYSA-N 446.250 4.469 5 20 IIBD COc1ccc(C(C)(C)c2noc(-c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)n2)cc1OC 445691266 PTSXALIAWDFDBX-UHFFFAOYSA-N 435.440 4.174 5 20 IIBD CN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOc2ccc(Br)cc21 446508858 ZSGYZZNKRJTEKQ-QGZVFWFLSA-N 434.290 4.065 5 20 IIBD CN(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCOc2ccc(Br)cc21 446645011 APLJJXLHDKFAOS-QGZVFWFLSA-N 434.290 4.065 5 20 IIBD C[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1ccc(Br)cc1OCCCO 461994209 JJXSKNZLJCSVJU-SNVBAGLBSA-N 430.686 4.340 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 462492525 GFFRVNDFHKBMBD-JENIJYKNSA-N 439.512 4.052 5 20 IIBD COc1ccc2c(c1)N(C(=O)c1ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc1)CCCC2 465255882 HULHMGYTRMRYLY-UHFFFAOYSA-N 434.496 4.448 5 20 IIBD O=C(Nc1ccc2nc(Cc3ccccc3)oc2c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 466904833 AXAKODAHJCFGBO-UHFFFAOYSA-N 431.404 4.350 5 20 IIBD COc1cccc([C@@H]2[C@H](NC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)CCN2C2CC2)c1 467216383 KFIPHXXMJBKSJO-NHCUHLMSSA-N 444.919 4.034 5 20 IIBD CN1C(=O)CC[C@H](C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@H]1c1ccc(C(F)(F)F)cc1 470698554 ZCVMZICTPACSIU-FUHWJXTLSA-N 439.365 4.301 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CCC(c2nc3ccccc3s2)CC1 472028731 GIAAHFNAMWMMBO-UHFFFAOYSA-N 438.553 4.421 5 20 IIBD C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1NC(=O)c1ccc([N+](=O)[O-])cc1Br 472501415 NUQKWQLGLVEYQG-GJZGRUSLSA-N 446.345 4.244 5 20 IIBD Cc1csc(NC2CCN(C(=O)c3ccc(N4CCC[C@@H](C)C4)c([N+](=O)[O-])c3)CC2)n1 474816388 GIFQRHRNVZZIDF-OAHLLOKOSA-N 443.573 4.313 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCC(O)(Cc2cccc(F)c2)CC1 475201741 AEHIRMJOEAGMFK-UHFFFAOYSA-N 441.381 4.354 5 20 IIBD O=C(NCc1nnc(C2CC2)o1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 476859205 PAUSJEDJGJHKSQ-UHFFFAOYSA-N 427.848 4.051 5 20 IIBD CCN(CC)C(=O)c1ccc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1Cl 479811379 MNOCJABGJSQYQF-UHFFFAOYSA-N 441.875 4.168 5 20 IIBD CN(CCCc1cc(-c2ccccc2)n[nH]1)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] 480409745 ZHHJYXUWIILTGE-UHFFFAOYSA-N 444.495 4.018 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc(Cl)c1F 482653537 HBBGKCAYBVYXRN-UHFFFAOYSA-N 431.601 4.189 5 20 IIBD O=C(Nc1ccc(Oc2cccc(F)c2F)nc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 487099190 UDTNNBCAGUBSHW-UHFFFAOYSA-N 437.362 4.498 5 20 IIBD O=C(Nc1cccc(N2CCCNC2=O)c1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 487352511 LUHQWFSMNYLLSN-UHFFFAOYSA-N 445.479 4.379 5 20 IIBD CCn1c(S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nc2ccsc2c1=O 490379530 XREGBLWMQJQABY-SNVBAGLBSA-N 429.483 4.289 5 20 IIBD CCC[C@@]1(C(F)(F)F)CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 491544799 JJECEUSSVDJQSS-ZDUSSCGKSA-N 445.257 4.243 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N(C)Cc2cc3c(cc2OC(F)F)OCO3)cc1[N+](=O)[O-] 493310769 NZMYJBXYUVNQKM-GFCCVEGCSA-N 437.399 4.136 5 20 IIBD O=C(Nc1cccc(Cl)c1OCC(F)F)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 497517515 BVLQULPJSOFGCS-UHFFFAOYSA-N 427.791 4.187 5 20 IIBD O=C(N[C@H](c1cccc(F)c1)c1ccccn1)c1cc(Br)cc([N+](=O)[O-])c1 498903824 NSZBWRZJZADJGG-GOSISDBHSA-N 430.233 4.411 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC(CCCN(C)C)CC3)cc2[N+](=O)[O-])C1 501644471 LWFCZBJRSIBLOQ-KDURUIRLSA-N 430.593 4.271 5 20 IIBD CCOC[C@@H]1CCCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 504140094 IGIJAGKIOTWEFA-OAHLLOKOSA-N 443.466 4.105 5 20 IIBD C[C@@](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)(c1ccccc1)C(F)(F)F 504584551 IEOFEGVEADOXHS-MRXNPFEDSA-N 431.208 4.494 5 20 IIBD C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 512565408 NZNXYDQXFIAVTN-INIZCTEOSA-N 447.495 4.262 5 20 IIBD CCCn1c(CSCc2ccc([N+](=O)[O-])cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 513812928 UMWGVHJERWMXKO-UHFFFAOYSA-N 448.570 4.038 5 20 IIBD Cc1ccc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)c2cccs2)cc1[N+](=O)[O-] 514550300 MXWVTCXFZHJDBG-GOSISDBHSA-N 429.885 4.462 5 20 IIBD C[C@H]1CCCN(c2nnc(SCCOc3ccccc3[N+](=O)[O-])n2Cc2ccco2)C1 515567654 VCURJKYSXZGGSE-INIZCTEOSA-N 443.529 4.235 5 20 IIBD O=C(NCCc1nc(-c2ccc(OCc3ccccc3)cc2)no1)c1ccc([N+](=O)[O-])cc1 517630122 GTUDGFNGDFUJLO-UHFFFAOYSA-N 444.447 4.196 5 20 IIBD COc1cc(OCC(=O)Nc2ncc(Cc3ccc(C)c(F)c3)s2)ccc1[N+](=O)[O-] 519976191 QKSVDQPTTALGAK-UHFFFAOYSA-N 431.445 4.116 5 20 IIBD COc1cc(OCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2C)ccc1[N+](=O)[O-] 520568012 OWBMSRNUQFMMGK-UHFFFAOYSA-N 435.436 4.182 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cccc(CNc3ccc([N+](=O)[O-])c(C)c3)c2)cc1 522402403 QTOZKQYMFAGRQU-UHFFFAOYSA-N 427.482 4.325 5 20 IIBD O=C(Nc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccs1 522597435 JKMDSRPPMSXCAH-UHFFFAOYSA-N 437.886 4.363 5 20 IIBD CCc1cccc(Cc2cnc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3OC)s2)c1 524298353 CLPFOWVUJJTXLU-UHFFFAOYSA-N 433.511 4.014 5 20 IIBD CC[C@H](C)[C@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccc(Cl)cc1 524741438 CXSMDKJLNUXUFW-YWZLYKJASA-N 431.924 4.262 5 20 IIBD COc1cc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc([N+](=O)[O-])c1OC 525541123 BACCCBCRJAYHCF-UHFFFAOYSA-N 427.438 4.178 5 20 IIBD CSc1ccccc1NC(=O)CN(C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 525748342 BAJNXDAXLOUFSD-UHFFFAOYSA-N 427.404 4.046 5 20 IIBD O=C(CN1CCC[C@@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1)Nc1ccccc1[N+](=O)[O-] 533379070 SPENBNPKYUIINH-LJQANCHMSA-N 425.876 4.414 5 20 IIBD CC(=O)N1CCc2sc(C(=O)COc3ccc(-c4ccccc4)cc3[N+](=O)[O-])cc2C1 533635466 BFWYHIZRDSNTLH-UHFFFAOYSA-N 436.489 4.490 5 20 IIBD COc1cc(C(=O)Nc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)sc1Br 535471836 UMKXHJWYFVAMRI-UHFFFAOYSA-N 437.275 4.174 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1ccc(Br)c2ccccc12 536978531 QYFDRURWYWKJHN-UHFFFAOYSA-N 442.269 4.108 5 20 IIBD CCc1nc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)nn1-c1ccccc1 537153143 LNWVAQDMDRLENC-UHFFFAOYSA-N 434.481 4.138 5 20 IIBD COc1ccc(CCC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1Br 540892473 XFHYEBIZPUFQGX-UHFFFAOYSA-N 441.709 4.311 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2ccccc2-c2nnnn2C(C)C)cc1[N+](=O)[O-] 541412806 GMCUABGYSBJNMU-UHFFFAOYSA-N 445.277 4.152 5 20 IIBD CCCN(Cc1ccccc1Br)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] 542087854 VUHFBRSDCACTEJ-UHFFFAOYSA-N 433.349 4.239 5 20 IIBD CN1CCN(C)[C@H](c2noc(-c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)n2)C1 545080874 BPRUZUWOXLCSEC-KRWDZBQOSA-N 429.864 4.009 5 20 IIBD CCO[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)[C@]12CCCO2 546054216 RSADRULCMQVERN-TUNNFDKTSA-N 434.558 4.334 5 20 IIBD COc1ccc(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)c2ncccc12 547433633 OCXAMGMDSQNQQZ-UHFFFAOYSA-N 449.204 4.009 5 20 IIBD O=C(NCCC1CCN(CC(F)(F)F)CC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 551414233 YREOHSWOCVDJKX-UHFFFAOYSA-N 427.345 4.008 5 20 IIBD COc1ccc(CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C2CC2)c(OC)c1 578739008 YKUXDMHUFAPIKS-INIZCTEOSA-N 427.501 4.165 5 20 IIBD CC1CCN(c2ccc(C(=O)NC[C@@H](c3ccco3)N3CCCCC3)cc2[N+](=O)[O-])CC1 599075174 ZNICHEOQJUXLOK-QFIPXVFZSA-N 440.544 4.381 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N(Cc3cccnc3)Cc3ccco3)cc2)c(C)c1[N+](=O)[O-] 600861912 XORIDSKLUAEZRJ-UHFFFAOYSA-N 445.479 4.287 5 20 IIBD C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 603919833 AOPSEWQHSUYWJH-GOSISDBHSA-N 434.540 4.251 5 20 IIBD CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1 604477448 BHEDXGXHSZKWCV-INIZCTEOSA-N 437.500 4.301 5 20 IIBD CCN([C@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 604493756 IMXMXNNFAASOLH-GFCCVEGCSA-N 432.420 4.394 5 20 IIBD O=C(Nc1ccc(Oc2ccc(Cl)cc2)nc1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 609443114 LKUAOLJFSGGOLM-UHFFFAOYSA-N 436.815 4.269 5 20 IIBD CC[C@H](C)[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 609447961 GNZMQXZYGAQNOL-YCRPNKLZSA-N 442.491 4.117 5 20 IIBD CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c1 609697288 XBQGDANTHRCYLE-SSEXGKCCSA-N 426.498 4.080 5 20 IIBD Cc1c(C(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)nnn1-c1cccc([N+](=O)[O-])c1 609700311 UOKHCBBRCDCLNR-GOSISDBHSA-N 443.916 4.068 5 20 IIBD Cc1ccc([C@H]2COCCN2C(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)o1 609728922 FGOUAVBXYFDRFV-VWKPWSFCSA-N 427.501 4.192 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1Br)N(Cc1ccccc1)CC(F)(F)F 609962545 LYCGZRNDMDGWCL-UHFFFAOYSA-N 447.207 4.327 5 20 IIBD O=C(Nc1cccc(Oc2ccccc2)c1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 610141333 ASVNVRBVONBUEF-UHFFFAOYSA-N 446.463 4.377 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(Cc3nc(O)c4ccc(C(F)(F)F)cc4n3)CC2)cc1 610394374 POZZGVCLTSBTOL-UHFFFAOYSA-N 448.401 4.306 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)N1CCO[C@H]([C@@H]2CCCO2)C1 610687620 POXAGZITNFNRLX-OALUTQOASA-N 448.928 4.419 5 20 IIBD CCOC(=O)c1sc(CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)nc1C 613184240 TXCOZXOZIIEJQQ-UHFFFAOYSA-N 428.470 4.123 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2ccc(-c3ccsc3)nc2C)c([N+](=O)[O-])c1 726232507 UJFBJUHQEGCVGY-UHFFFAOYSA-N 441.465 4.221 5 20 IIBD COc1ccc(NC(=S)/C(=C(/O)c2ccc([N+](=O)[O-])cc2)[n+]2ccccc2)cc1F 726576650 ZTNTZKVGTYHMAT-UHFFFAOYSA-O 426.449 4.353 5 20 IIBD Cn1ncc(C(=O)Oc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)c1C(F)F 727299039 UTDNKDHZNWMBFS-UHFFFAOYSA-N 441.346 4.259 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 728947943 HDGMUDARYDDBEK-INIZCTEOSA-N 441.484 4.024 5 20 IIBD CC(C)(C)c1ccccc1OCC(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730705377 VSNWRCZZTVJXOK-QGZVFWFLSA-N 440.496 4.119 5 20 IIBD Cc1c(NC(=O)[C@@H](C)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] 731482451 OKFTZFSGZINYET-VFNWGFHPSA-N 431.920 4.329 5 20 IIBD Cc1c(C(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 732742357 JUKMNMCGSLQTBU-UHFFFAOYSA-N 449.485 4.085 5 20 IIBD O=C(COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc(CSc2ccccn2)c1 733392122 ZWNMKMBTQJRLNO-FMIVXFBMSA-N 449.488 4.477 5 20 IIBD O=C(COc1ccc(Br)cc1)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 735443350 OIUYHOCUTQTKJW-UHFFFAOYSA-N 433.214 4.135 5 20 IIBD C[C@@H](COc1ccccc1)NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 736004724 QGKARCVEINSFFC-LBPRGKRZSA-N 435.267 4.285 5 20 IIBD CN(Cc1ccccc1NC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(=O)c1cc2ccccc2o1 736568340 XFGWEMOVZAHXBX-UHFFFAOYSA-N 444.447 4.448 5 20 IIBD O=C(Nc1ccc(N2CCSCC2)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 741573498 ALFJYRQXQBAMGU-UHFFFAOYSA-N 426.542 4.003 5 20 IIBD COc1ccc(Cl)cc1C[C@H]1CCCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 742153107 NEKXRRWWNHVKRO-MRXNPFEDSA-N 441.919 4.428 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1OC(=O)C1CCOCC1 744285063 VCNYTQFWFLKAJJ-UHFFFAOYSA-N 439.251 4.486 5 20 IIBD COc1ccc(C2(C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CCC2)cc1 744916510 ZJDMACGVXWALOV-ZDUSSCGKSA-N 432.860 4.249 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1C[C@H]1c1ccc(Br)cc1 748904625 UJPDQDPSHBQZLA-HOTGVXAUSA-N 444.241 4.254 5 20 IIBD Cc1ccc(-c2nc(C(=O)OCC3CCN(c4ncccc4[N+](=O)[O-])CC3)cs2)o1 749359205 RTBFQGVEJDHOKB-UHFFFAOYSA-N 428.470 4.088 5 20 IIBD C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-] 750574770 AHUADLBAFCYUCK-LLVKDONJSA-N 445.884 4.119 5 20 IIBD CCN(CC)CCOc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Br 750599784 RDFAFTGYFQQHRP-UHFFFAOYSA-N 436.306 4.330 5 20 IIBD O=C(CCCc1nc2ccccc2[nH]1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 750660893 DYKPPGJJRYXTDC-UHFFFAOYSA-N 443.301 4.141 5 20 IIBD CCOc1cc2c(cc1CNC(=O)c1cc([N+](=O)[O-])ccc1Br)O[C@H](C)C2 751060854 IFXREYAUEVWCKC-LLVKDONJSA-N 435.274 4.009 5 20 IIBD CC(C)(C)OC(=O)N1CCC(N(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C2CC2)CC1 751105287 GAQCFLNQLHOHQC-UHFFFAOYSA-N 429.473 4.345 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Br)N1CCc2cc(Br)ccc21 751110906 QLKQOQIDTCIMEP-UHFFFAOYSA-N 426.064 4.323 5 20 IIBD O=C(Nc1cccc(C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)c1)c1ccc(F)cc1 751647272 LWWFSSZPRMJRGC-UHFFFAOYSA-N 435.367 4.484 5 20 IIBD CC[C@@H](C)C(=O)Nc1cccc(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1 752234776 LWDCANDYDCNKEP-GFCCVEGCSA-N 439.921 4.020 5 20 IIBD O=C(OCc1nc(-c2cccc(C(F)(F)F)c2)no1)c1c(F)ccc([N+](=O)[O-])c1F 752563638 AKTSLABCVNGEFI-UHFFFAOYSA-N 429.257 4.299 5 20 IIBD CC(C)c1c(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cnn1-c1ccccc1 753156933 WXJTYZLNWURISG-UHFFFAOYSA-N 434.500 4.258 5 20 IIBD C[C@@H](C(=O)N1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1F 754373189 FOCNMCHSJWYZHZ-FOIQADDNSA-N 449.523 4.476 5 20 IIBD Cc1ccc(OCCCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1 754636902 SAIWAEPHKBFCCX-UHFFFAOYSA-N 425.254 4.394 5 20 IIBD O=C(Nc1ccc(N2CCCC2)c(F)c1)c1cc(F)cc([N+](=O)[O-])c1Br 754989819 PCRUTWBCZONQJE-UHFFFAOYSA-N 426.217 4.488 5 20 IIBD COc1ccc(C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1-c1ccccn1 755017504 ZUCVPHROHJNCAW-UHFFFAOYSA-N 432.392 4.072 5 20 IIBD COc1ccc(C2(C(=O)OCc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CCC2)cc1OC 755144090 SSIMDWKMNKQBLG-UHFFFAOYSA-N 438.436 4.432 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1ccccc1SCC(F)(F)F 757270559 CMRFXJXMRZZUPK-UHFFFAOYSA-N 447.822 4.158 5 20 IIBD CCCc1c(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 759452547 OEFOXXUFCRANRS-UHFFFAOYSA-N 441.419 4.352 5 20 IIBD Cc1cc(C)n(Cc2cccc(C(=N)NOCc3coc(-c4ccc([N+](=O)[O-])cc4)n3)c2)n1 760349583 CFEGRVXZARXWOL-UHFFFAOYSA-N 446.467 4.158 5 20 IIBD C[C@H]1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)c2ccccc2S1 760366279 WRQCAZXQBDMWFT-JTQLQIEISA-N 429.317 4.047 5 20 IIBD Cc1c(Br)cc(C(=O)NC2CCC(O)(c3ccccc3)CC2)cc1[N+](=O)[O-] 760698703 UJHQLVBKQNGBEM-UHFFFAOYSA-N 433.302 4.226 5 20 IIBD O=C(CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccs1 762293200 DRSXWLZQVJEQEV-UHFFFAOYSA-N 443.868 4.175 5 20 IIBD COc1cc(COC(=O)c2cc(Cl)cc(Cl)n2)c([N+](=O)[O-])cc1OCC(F)F 762932932 XOCBYTXBHSJVSJ-UHFFFAOYSA-N 437.182 4.306 5 20 IIBD Cc1nn(C)c(C)c1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 763797932 RUAOGRYEOLWNDU-AWEZNQCLSA-N 446.529 4.164 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)N(Cn1nc(-c3ccccn3)n(Cc3ccco3)c1=S)CCC2 765000208 HDLNGZBLNFBNTD-UHFFFAOYSA-N 448.508 4.436 5 20 IIBD C[C@H]1Oc2ccc(C(=O)C3CCN(Cc4ccc(Cl)c([N+](=O)[O-])c4)CC3)cc2NC1=O 768541796 LTVPEUPONYIYEJ-CYBMUJFWSA-N 443.887 4.063 5 20 IIBD CCCN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 769593303 WEEOLJGBFKLCBQ-UHFFFAOYSA-N 425.913 4.500 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 769779322 CBRLWGKYNNBSNG-MRXNPFEDSA-N 439.415 4.269 5 20 IIBD CSc1cccc(NC(=O)[C@@H](C)OC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 770157393 NZIRVYNJZPGXBJ-SNVBAGLBSA-N 439.287 4.263 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1nnc(-c2ccc(Cl)cc2)n1C 770322418 FOORHLYMKRVLLE-LBPRGKRZSA-N 432.889 4.268 5 20 IIBD CCC[C@H](NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)C(=O)Nc1cccc(N2CCCC2)c1 770414941 JFVUFZFUJFIUGQ-IBGZPJMESA-N 446.454 4.010 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CCCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 774520818 YYFCOSWHBHOFPV-LLVKDONJSA-N 448.398 4.263 5 20 IIBD COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 774876286 OHOFEACEMCKKFX-MRXNPFEDSA-N 428.228 4.156 5 20 IIBD C[C@H](OC(=O)c1ccc(-c2cncnc2)cc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 775095088 MKEIOZLCQVPRMB-NSHDSACASA-N 444.806 4.028 5 20 IIBD COc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 778887908 OZZMOLSALCCOAC-VIFPVBQESA-N 444.774 4.042 5 20 IIBD Cc1cc(C(=O)COc2cc([N+](=O)[O-])ccc2I)c(F)cc1F 780353570 IXAXFXRKWRRMRX-UHFFFAOYSA-N 433.148 4.048 5 20 IIBD O=C(O[C@H]1CCCN(c2ccccc2F)C1=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 781258759 CZPQSSFLFZAAIO-QFIPXVFZSA-N 430.435 4.173 5 20 IIBD CN(CC1CCCCC1)C(=O)COC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781258992 ZAMIJJGMMHGWEK-UHFFFAOYSA-N 442.462 4.155 5 20 IIBD Cc1ccccc1CN(C)C(=O)[C@H](C)OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 781259699 PIOCKWMIQGSQFV-KRWDZBQOSA-N 428.488 4.194 5 20 IIBD C[C@@H](OC(=O)c1cc(I)cc([N+](=O)[O-])c1)c1ccc(Cl)cn1 781703171 ATOONPOQTVRGEC-MRVPVSSYSA-N 432.601 4.166 5 20 IIBD CCOc1cc(N2CCC(OC(=O)C[C@H]3CCO[C@@H](C(C)C)C3)CC2)ccc1[N+](=O)[O-] 781808521 PWJVYELFKZXWKY-LAUBAEHRSA-N 434.533 4.347 5 20 IIBD COC(=O)Nc1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1F 783079555 CNONCUWPNYTLSS-UHFFFAOYSA-N 430.436 4.401 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(NCCCc2nc(-c3ccc(F)cc3)no2)cc1Cl 784173976 JMDLCZCDLXHTMC-UHFFFAOYSA-N 434.811 4.269 5 20 IIBD CN(C(=O)COC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccc([N+](=O)[O-])cc1 785418678 XJYTVUNNVKLAIL-UHFFFAOYSA-N 442.431 4.025 5 20 IIBD CCc1nc2ccccc2n1[C@H]1CCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 788155277 YAAFUTGSECDILF-IBGZPJMESA-N 444.495 4.170 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1SCCO)C(=O)c1ccccc1C(F)(F)F 789076582 GPNJFEUXGZUZCQ-LLVKDONJSA-N 443.399 4.126 5 20 IIBD CCc1ccc(C(=O)N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1[N+](=O)[O-] 791039937 XHUQDSJDHCOKKA-UHFFFAOYSA-N 431.533 4.411 5 20 IIBD CCc1[nH]nc(C(=O)OCC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)c1[N+](=O)[O-] 795616750 VIVSLOIZFLMDJK-UHFFFAOYSA-N 444.831 4.122 5 20 IIBD O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)Oc1cc(F)ccc1Cl 795973044 RHXYAZAFBILWAT-UHFFFAOYSA-N 428.594 4.057 5 20 IIBD CC(C)(C(=O)OCC(=O)N[C@H](c1ccccc1)c1cccs1)c1ccccc1[N+](=O)[O-] 796444322 GHSJWWLUJIGGLF-OAQYLSRUSA-N 438.505 4.383 5 20 IIBD Cc1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc(Br)cc1[N+](=O)[O-] 797580837 LYNCBJQAQHSQED-UHFFFAOYSA-N 439.178 4.043 5 20 IIBD O=C(Cc1cc(Cl)c2c(c1)OCCO2)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811218210 QYIBLKJEKFSARV-UHFFFAOYSA-N 446.868 4.429 5 20 IIBD O=C(O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)c1ccccc1C(=O)c1cccs1 813171948 XOXMJTSBJJMXBO-SFHVURJKSA-N 436.489 4.319 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1 817768487 MIZNIOKIKHHSGK-HNNXBMFYSA-N 432.318 4.128 5 20 IIBD O=C(COC(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)Nc1cccc([N+](=O)[O-])c1 818117750 GRBPFIDAEZKNGN-IAGOWNOFSA-N 437.477 4.436 5 20 IIBD C[C@@H](OC(=O)/C=C\c1ccc(O)cc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 847134658 ZEOYCCQWWHSCBE-PGJNLMOESA-N 439.449 4.008 5 20 IIBD Cc1csc(Sc2ccc(C(=O)O[C@@H](C)C(=O)N3CCCCC3)cc2[N+](=O)[O-])n1 849120163 XXCYOZZXQFGFMU-ZDUSSCGKSA-N 435.527 4.069 5 20 IIBD CN(C)C(=O)COc1ccc(NCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)cc1 916842160 RXYCBBJUVYTQED-UHFFFAOYSA-N 434.496 4.442 5 20 IIBD Cc1cc(C(=O)OCc2cc(F)ccc2[N+](=O)[O-])c2cnn(Cc3cccs3)c2n1 918785350 YRUYCLAOZBWMQO-UHFFFAOYSA-N 426.429 4.254 5 20 IIBD CC(C)(C)c1ccc([C@H]2CCCN2C(=O)COC(=O)COc2cccc([N+](=O)[O-])c2)cc1 919084504 YBNFOPBUEICMOX-OAQYLSRUSA-N 440.496 4.178 5 20 IIBD C[C@@H](OC(=O)c1ccc(O[C@H](C)c2ccccc2)nc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 919214894 NGBFOSNTCHIXEH-HZPDHXFCSA-N 435.436 4.314 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 919593592 FUFZLLCERVRODR-UHFFFAOYSA-N 434.477 4.289 5 20 IIBD CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(OC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C2 920145022 ZBMXMPQQEZEKNQ-ROUUACIJSA-N 433.505 4.261 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)N(Cc1cc(Br)ccc1F)C1CC1 921267489 QZBWDAOKICOPIQ-UHFFFAOYSA-N 441.228 4.206 5 20 IIBD Cc1nn(Cc2ccccc2)c(Cl)c1-c1nnc(COc2ccccc2[N+](=O)[O-])o1 1117191250 GKJZRBAFZTYRRV-UHFFFAOYSA-N 425.832 4.430 5 20 IIBD CCOc1ccc(CN(C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1OC 1317917108 OCTVMQMIQJWXES-UHFFFAOYSA-N 425.388 4.267 5 20 IIBD CC(C)(C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)c1cccc(C(F)(F)F)c1 1318238824 ARZFQXYMYZXBHJ-UHFFFAOYSA-N 435.446 4.236 5 20 IIBD CCOC(=O)c1ccn(-c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)c2)n1 1326239034 CSJZMWHUKYSYCR-UHFFFAOYSA-N 448.357 4.228 5 20 IIBD CC(C)(NC(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1ccccc1[N+](=O)[O-] 1343743098 NVGMVTNXRHQPIX-HXUWFJFHSA-N 433.512 4.452 5 20 IIBD CCCC(=O)Nc1ccc(C2(NC(=O)Cn3ccc4ccc([N+](=O)[O-])cc43)CCC2)cc1 1787696601 SXLRKDSIZVCJCN-UHFFFAOYSA-N 434.496 4.484 5 20 IIBD C[C@]1(C(=O)NC2(c3ccc(NC(=O)c4ccc(O)c([N+](=O)[O-])c4)cc3)CCC2)CC1(F)F 1790620858 PGEPFXAKBNZCTC-HXUWFJFHSA-N 445.422 4.093 5 20 IIBD Cc1ccc(F)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C3)c1 1800435839 RINUUTSFBIWYJP-AGDBNRHRSA-N 437.471 4.008 5 20 IIBD O=C(Cc1cc([N+](=O)[O-])ccc1F)N1CCC2(CCCN(C(=O)CCC3CCC3)C2)CC1 1805793964 MKJBMYASGLLKNX-UHFFFAOYSA-N 445.535 4.088 5 20 IIBD O=C(/C=C/c1cc2ccccc2o1)N1CC2(CCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])C1 1845405701 QHXDAIZTVIUUNL-MDZDMXLPSA-N 449.438 4.011 5 20 IIBD Cc1ccc(NC(=O)CSc2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3)s2)c(C)c1 8791068 ZBOCMVUUJRDEJO-UHFFFAOYSA-N 443.510 4.046 5 20 IIBD CCOC(=O)c1cc(C(=O)NCCc2ccc(-c3csc(C)n3)s2)cc([N+](=O)[O-])c1 12396525 IIQNYOQOOIBPFE-UHFFFAOYSA-N 445.522 4.237 5 20 IIBD C[C@@H](OC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 18026460 VSONZLILONEDOV-CYBMUJFWSA-N 429.429 4.126 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C3CCC(C)CC3)cc2)cc1[N+](=O)[O-] 18147691 QMMQVJYILKNIRJ-UHFFFAOYSA-N 445.541 4.355 5 20 IIBD C[C@@H](OC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)N1CCC[C@H]1c1cccs1 22243795 WODVQQOPKRKYNO-DYVFJYSZSA-N 429.498 4.140 5 20 IIBD COc1cc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c([N+](=O)[O-])cc1OC 23548749 SMFKKGZGKYWLNS-ZDUSSCGKSA-N 427.482 4.242 5 20 IIBD C[C@@H]1Oc2ccc(NC(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)cc2NC1=O 30560549 KJSGWSJKUFBVLE-AWEZNQCLSA-N 432.436 4.179 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NC2(c3ccc(Br)cc3)CC2)cc1OC 64362252 QCUPXSPFNKFDKE-UHFFFAOYSA-N 435.274 4.184 5 20 IIBD CCOc1cc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])ccc1OC(F)F 64421037 CRQYURRHLQTVEI-LLVKDONJSA-N 444.818 4.332 5 20 IIBD O=C(c1csc([N+](=O)[O-])c1)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 117242162 XGTNDUDLFWQNFB-UHFFFAOYSA-N 431.514 4.482 5 20 IIBD COc1cc(C(=O)N2CCc3c(C)cccc32)c([N+](=O)[O-])cc1OCc1cscn1 195734914 XUUDHWWPNMSINI-UHFFFAOYSA-N 425.466 4.150 5 20 IIBD C[C@H](Nc1ncc([N+](=O)[O-])cc1Br)[C@@H](OC1CCOCC1)c1ccccc1 301783702 OPGUTGSSSHWYSH-SCLBCKFNSA-N 436.306 4.490 5 20 IIBD O=C(c1cc(N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)ccc1[N+](=O)[O-])N1CCCC1 302024342 HBYIDLUVPMJOHH-HNNXBMFYSA-N 432.883 4.314 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCc2ccnc(N3CCCC3)c2)cc1[N+](=O)[O-])c1ccccn1 302970370 HYJPIHDEERAXMN-QGZVFWFLSA-N 446.511 4.088 5 20 IIBD CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 303418186 XIHARVPATMLPRO-AEFFLSMTSA-N 429.904 4.163 5 20 IIBD COc1ccc(CSCC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1[N+](=O)[O-] 303688760 OVKKTDDZMKUMTK-UHFFFAOYSA-N 446.369 4.180 5 20 IIBD COc1ccc(Br)cc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 317144171 FOWVZGGPJRFZIS-UHFFFAOYSA-N 430.052 4.381 5 20 IIBD CCc1noc(-c2ccc(C)c(NC(=O)CSCc3ccc(OC)c([N+](=O)[O-])c3)c2)n1 430462735 ZAQYVYZUOKXRNT-UHFFFAOYSA-N 442.497 4.396 5 20 IIBD COc1cc(C(=O)N[C@H](c2ccco2)c2ccccc2OC)c([N+](=O)[O-])cc1OC(F)F 431116083 DESGFUTWNHZTOC-IBGZPJMESA-N 448.378 4.326 5 20 IIBD C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccc(NC(=O)C2CC2)cc1 431628067 MPTJQDWCQVGDIK-NSHDSACASA-N 432.274 4.197 5 20 IIBD CCN(CCOc1ccc(OC)cc1[N+](=O)[O-])CC(=O)Nc1c(Cl)cccc1Cl 432937464 KRJUWTVJVRHGIW-UHFFFAOYSA-N 442.299 4.250 5 20 IIBD Cc1ccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1C(=O)N(C)C 434184961 WHPAHHLNICGBJP-UHFFFAOYSA-N 441.431 4.355 5 20 IIBD Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 439111889 NRILZAANZLQVKV-HZPDHXFCSA-N 431.920 4.096 5 20 IIBD CNC(=O)c1ccc(CN(C)C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])cc1 440450055 SKAONOFOUZXGJH-UHFFFAOYSA-N 435.505 4.378 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCN(c4nccnc4C)CC3)cc2[N+](=O)[O-])cc1 441146543 YSAMCVUFUJQEDW-UHFFFAOYSA-N 449.536 4.115 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1cccc(COCC(F)(F)F)c1 441720158 RXKGFNOIMCRSHP-LBPRGKRZSA-N 446.809 4.411 5 20 IIBD CCOC(=O)c1ccccc1S(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 443016304 VSCNITQHYFXYQM-UHFFFAOYSA-N 440.477 4.167 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 443950989 WHSZXCDCWQUNTE-HNNXBMFYSA-N 441.406 4.134 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 443952365 ZBWRVPQDPGKCCB-UHFFFAOYSA-N 430.892 4.245 5 20 IIBD COc1ccc([C@H](OC)[C@H](C)NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1 444297145 IIDLYZODFSFLOV-LFPIHBKWSA-N 434.467 4.335 5 20 IIBD COc1nc(C)c(Br)cc1-c1noc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 445996642 RACNKHKRHWRKRK-UHFFFAOYSA-N 444.245 4.191 5 20 IIBD CCCOc1cc(NC(=O)Cn2ccc3ccccc3c2=O)c([N+](=O)[O-])cc1OCCC 448136588 HPHJNHNRCOLBEA-UHFFFAOYSA-N 439.468 4.126 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(n2c(C)nc3ccccc32)CC1 460213775 WABTVQFQZCVNEE-UHFFFAOYSA-N 431.500 4.373 5 20 IIBD O=C(NC[C@H]1CCCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1)c1ccccc1 462499471 FBROOFZUJIOROT-HXUWFJFHSA-N 446.507 4.215 5 20 IIBD COc1ccc(CNC[C@]2(C)CCO[C@H]2C2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 466452603 QCUQTLUVTPLGPJ-ZEQRLZLVSA-N 426.513 4.477 5 20 IIBD Cc1cc(-c2noc([C@@H](C)NC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)n2)ccc1F 467215114 FJMVRHRWBXRQQZ-LLVKDONJSA-N 433.827 4.306 5 20 IIBD O=C([C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1CC2(CCCC2)c2cccc(F)c21 470092894 WKDHTJYROLIQBR-MRXNPFEDSA-N 443.500 4.259 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1[N+](=O)[O-] 472898241 OESXGNVDGCWKIC-GGPKGHCWSA-N 440.521 4.235 5 20 IIBD COc1c(CNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)oc2ccccc12 473723664 IBAFYNDNIAZZBR-UHFFFAOYSA-N 426.816 4.161 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H]1c1nc(-c2ccccc2Br)no1 474776433 PLPCHEXCHCMQIR-LBPRGKRZSA-N 449.286 4.446 5 20 IIBD Cc1cc(=O)c(C(=O)N(CC(C)C)c2ccc(Cl)cc2)nn1-c1ccccc1[N+](=O)[O-] 475067558 UEQIQDJAPYSGJS-UHFFFAOYSA-N 440.887 4.405 5 20 IIBD Cc1ccc(Br)cc1NC(=O)CCNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C 475637075 DZAWTQHDZCIGFS-UHFFFAOYSA-N 449.305 4.433 5 20 IIBD CCOc1cc(CN[C@H]2CC(C)(C)OC2(C)C)ccc1OCCn1c([N+](=O)[O-])cnc1C 478260723 WEMTUMFVPGZQSY-FQEVSTJZSA-N 446.548 4.013 5 20 IIBD O=C(N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1ccc(NC2CC2)c([N+](=O)[O-])c1 478475448 WIFMQZYOZWUYIE-MRXNPFEDSA-N 443.809 4.305 5 20 IIBD COc1cc(C(=O)Nc2ccccc2CS(=O)(=O)c2ccccc2)cc([N+](=O)[O-])c1C 480115299 WIAHTVLXGJHLBD-UHFFFAOYSA-N 440.477 4.138 5 20 IIBD CCn1c(SC[C@H](O)COc2cc(C)ccc2C)nnc1-c1ccc([N+](=O)[O-])cc1 480393808 MUEOAVDDKINPQW-GOSISDBHSA-N 428.514 4.022 5 20 IIBD COC(=O)c1csc(-c2cccc(CNCc3cc([N+](=O)[O-])ccc3OC(F)F)c2)n1 480473052 RDZQGLRCZMJVTG-UHFFFAOYSA-N 449.435 4.396 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NC[C@](C)(CO)Cc2ccccc2)cc1[N+](=O)[O-])c1ccccn1 481127603 QXHWOBNDHPZKLK-IQGLISFBSA-N 448.523 4.134 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCc3c(ncn3-c3ccccc3)C2)cc1[N+](=O)[O-] 482725493 VDLAWAJIQSWQTP-UHFFFAOYSA-N 441.285 4.050 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 486662672 HQRZPIDUXNQQMB-NRFANRHFSA-N 443.569 4.209 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)cc1[N+](=O)[O-] 488046325 TXJITPVRGUNVLT-QGZVFWFLSA-N 438.505 4.368 5 20 IIBD COc1ccccc1Cc1nnc(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)o1 488776407 ARRODTKUFXFHIH-ZDUSSCGKSA-N 428.470 4.005 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCc1cccc(Cn2cnc3ccccc32)c1 490220837 GLOYFXZHWDJZEV-UHFFFAOYSA-N 443.507 4.377 5 20 IIBD COc1c(S(=O)(=O)Nc2ccsc2Cl)cc(Br)c(C)c1[N+](=O)[O-] 491669393 MGBFZODLWJOSCJ-UHFFFAOYSA-N 441.712 4.190 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cc(Cl)ccc2Br)cc([N+](=O)[O-])c1 494678519 BSIYDJWOKSCUKC-UHFFFAOYSA-N 427.638 4.440 5 20 IIBD O=C(NCCCc1nc2c(s1)CCCC2)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 494891033 GPQMMIQNCXUQQQ-UHFFFAOYSA-N 442.463 4.381 5 20 IIBD COc1cc(CNc2cc3c(cc2F)NC(=O)CC3)c([N+](=O)[O-])cc1OCC(F)(F)F 495159667 PWLJJCZRFSFSAA-UHFFFAOYSA-N 443.353 4.180 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1cc([N+](=O)[O-])ccc1OC(F)F 498246353 VVUPAOPTPOIAQS-UHFFFAOYSA-N 440.424 4.165 5 20 IIBD C[C@]1(CN[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)CCOC1 500250647 AMKXIEWVZRWULA-AZUAARDMSA-N 448.317 4.053 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)c1ccc2c(c1)CC(=O)N2 501035154 ISQNRQXPNVFTJE-OAHLLOKOSA-N 430.464 4.193 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl 503296410 AFCRTRIIGLMZBJ-CYBMUJFWSA-N 428.659 4.297 5 20 IIBD CC(C)(C)Oc1ccncc1NC(=O)c1ccc([N+](=O)[O-])cc1I 504679021 ZNENVWSXDDBUOC-UHFFFAOYSA-N 441.225 4.024 5 20 IIBD Cn1c([C@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)c2ccccc2)nc2ccccc21 508080176 TZKIBJVNAJSXGG-JOCHJYFZSA-N 430.464 4.227 5 20 IIBD O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCN(c2ncccc2Cl)CC1 512078546 VYMVDPBFYARVHF-UHFFFAOYSA-N 437.887 4.349 5 20 IIBD C[C@@H](NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccc(Cl)c2ccccc12 513662117 YHHCEZJDGVWNNZ-GFCCVEGCSA-N 432.885 4.296 5 20 IIBD O=C(CSc1ncc(-c2ccc(Cl)cc2)o1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 514907125 ZZRCGBPKVRREEM-UHFFFAOYSA-N 433.829 4.363 5 20 IIBD C[C@@H](Nc1cccc(COc2ccc3c(c2)OCO3)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 515717791 VQZOIQBENOKPDL-OAHLLOKOSA-N 435.436 4.342 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N(C)Cc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-])c1ccccn1 517535158 YQYZRALQDGIHRE-MRXNPFEDSA-N 448.479 4.206 5 20 IIBD C[C@H](NC(=O)c1ccccc1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 518646696 CJPSJNYWOABNED-AWEZNQCLSA-N 443.456 4.026 5 20 IIBD CCC(=O)Nc1cccc(CNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 518993265 NUGNOOHUCDJJLY-UHFFFAOYSA-N 441.431 4.371 5 20 IIBD Cc1ccc(-c2ccncc2)cc1NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O 522381740 BKLYWTCGNZSSEJ-UHFFFAOYSA-N 441.447 4.072 5 20 IIBD CC[C@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(Br)c1 522972411 BQZIZDZRFBUROU-AWEZNQCLSA-N 441.347 4.046 5 20 IIBD O=C(NCCc1cccs1)C1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 531093252 GWIDDJPFNATZKI-UHFFFAOYSA-N 427.448 4.250 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCCC[C@@H]1c1nc(-c2ccccc2)no1 532559960 VVHGJDXASHBNAA-GOSISDBHSA-N 449.467 4.170 5 20 IIBD COc1ccc(NC(=O)CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)c([N+](=O)[O-])c1 533486887 CKNBOPAHQUNJCL-UHFFFAOYSA-N 444.875 4.216 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@H](C)c3ccc([S@@](C)=O)cc3)cc2[N+](=O)[O-])CC1 533750914 AGHDBOFCONMXOZ-XHDOVSQSSA-N 429.542 4.060 5 20 IIBD Cc1cccc(C)c1NC(=O)[C@H](C)[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534062700 XRONLKFPSSYEKD-INCQDFKNSA-N 427.482 4.143 5 20 IIBD CNc1ccc(C(=O)N(Cc2cc(C)nc(N3CCCCC3)n2)CC(C)C)cc1[N+](=O)[O-] 535732889 NLTJBIHKEDSZFZ-UHFFFAOYSA-N 440.548 4.024 5 20 IIBD C[C@@H](SCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)Nc1ccc2c(c1)OCCO2 536302749 QBUUXEWNGCDALS-CYBMUJFWSA-N 441.465 4.281 5 20 IIBD CCN(C(=O)c1cc(I)cc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 536569895 NUEQAQGOTKVASW-UHFFFAOYSA-N 432.164 4.144 5 20 IIBD O=C(N[C@H](C(=O)O)c1ccc(Cl)c(F)c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 537365135 DQGLKUGJEOAJER-HNNXBMFYSA-N 435.820 4.067 5 20 IIBD CC(C)[C@@H]1C[C@@H](NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCO1 540123651 VBKFOBJGZDHQSJ-LPHOPBHVSA-N 443.466 4.150 5 20 IIBD COc1cccc([C@H]2C[C@H](C)CN2c2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)c1 542208574 ZUGFTZYEIYUYDM-IFXJQAMLSA-N 440.887 4.390 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCNC2(c3cccc(C(F)(F)F)c3)CCC2)cc1 543186383 ZKIVFJAEUCYRIY-UHFFFAOYSA-N 428.432 4.056 5 20 IIBD COc1cc(OC)c2cc(CCCNC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)[nH]c2c1 544443776 JELUOJHCGXQXRB-ZDUSSCGKSA-N 429.448 4.085 5 20 IIBD C[C@@H](C(=O)N1CCO[C@H](c2cccc(Br)c2)C1)c1ccc([N+](=O)[O-])cc1F 544523140 QOZGMNSWYQERBZ-XIKOKIGWSA-N 437.265 4.200 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(/C=C/c3ccc(OC(F)F)cc3OC(F)F)n2)nc1 545782191 WNUDOVMNEZZIGA-QHHAFSJGSA-N 440.309 4.337 5 20 IIBD O=C(Nc1cccc(-c2noc(-c3ccn(-c4ccccc4[N+](=O)[O-])n3)n2)c1)c1ccco1 546313370 AUKCEBILSHYRTN-UHFFFAOYSA-N 442.391 4.343 5 20 IIBD COc1ccc(C(=O)CCc2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)cc1 546464214 GVBJCBDOZNFHGF-UHFFFAOYSA-N 446.257 4.155 5 20 IIBD Cn1ccnc1[C@@H](NCc1cccc(COCC(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 552063234 UBDXHGAXVCCOCZ-IBGZPJMESA-N 434.418 4.286 5 20 IIBD Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2I)cccc1-c1ncco1 552722262 KAIYSMYIKCXKEF-UHFFFAOYSA-N 449.204 4.415 5 20 IIBD O=C(c1cc(O)cc([N+](=O)[O-])c1)N(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 553197700 ZGPCJWFHEARDCT-JOCHJYFZSA-N 446.507 4.002 5 20 IIBD C[C@H](c1nccn1-c1ccccc1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 557651354 WKKXIXIRABNMQV-GFCCVEGCSA-N 436.287 4.078 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCCCOCCc1ccccc1 559497596 OPFQXOXHRZYYCY-UHFFFAOYSA-N 435.318 4.435 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCCN(Cc2ccccc2)CC1 559503853 DKZQZBFFDWXURC-UHFFFAOYSA-N 432.318 4.014 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCCN(CCCc2ccccc2)CC1 563476917 XBLHFFSRFJAXTH-UHFFFAOYSA-N 445.947 4.184 5 20 IIBD C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCOc2ccc([N+](=O)[O-])cc2C1 583923971 APKGTKKQCCOXNL-LLVKDONJSA-N 443.809 4.489 5 20 IIBD Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 584428374 SZBMWCKAFJQZEL-KRWDZBQOSA-N 430.936 4.267 5 20 IIBD CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 588816070 JBNZJQUUMPHILT-IBGZPJMESA-N 442.903 4.101 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 589056729 MPQOQBZBPYEEPA-LJQANCHMSA-N 449.385 4.117 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCC(Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)cc1 590835631 RPGHVTOXTOJRDP-UHFFFAOYSA-N 443.447 4.187 5 20 IIBD Cc1ccccc1OCCCC(=O)Nc1ccc(CNc2c([N+](=O)[O-])c(C)nn2C)cc1 603861776 WRDNRFCEAVYKQA-UHFFFAOYSA-N 437.500 4.355 5 20 IIBD CCN(C(=O)Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 603989630 OKBGRQBWHOPIPH-UHFFFAOYSA-N 433.464 4.208 5 20 IIBD CCc1c(-c2ccncc2)n[nH]c1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 609109926 ULVOOZRJIZIDDB-UHFFFAOYSA-N 434.500 4.431 5 20 IIBD Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1C 609453763 YNSJERSWNHMGAF-QGZVFWFLSA-N 425.466 4.112 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(=O)n(Cc2ccc(Oc3ccc(Cl)cc3C)cc2)c1 609692896 WJLLECPXCPEVAF-UHFFFAOYSA-N 428.828 4.346 5 20 IIBD CC[C@H](C(=O)OC)N(C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccccc1 609786701 DGKTZZXCRJMIAD-MRXNPFEDSA-N 440.374 4.134 5 20 IIBD COc1cc(C(=O)NCC2(c3cccc(Cl)c3)CC2)c([N+](=O)[O-])cc1OC(F)F 610050807 KFNNWCOKKHCQIB-UHFFFAOYSA-N 426.803 4.320 5 20 IIBD Cc1ccc(NCCCNC(=O)c2ccc(C)c(NC(=O)NC(C)(C)C)c2)c([N+](=O)[O-])c1 610125225 RLIKFJAQIUKYGS-UHFFFAOYSA-N 441.532 4.364 5 20 IIBD COc1cc(CN2CCCN(Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F 610133958 ZISZYZXDTBFCAZ-MRXNPFEDSA-N 435.471 4.301 5 20 IIBD O=C(NCCO)c1cccc(NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)c1 610910726 XSAWUZMQAAKLQT-UHFFFAOYSA-N 441.871 4.375 5 20 IIBD COc1ccc(NC(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)cc1[N+](=O)[O-] 611826506 XNTCHQHXJZPWFL-UHFFFAOYSA-N 445.273 4.437 5 20 IIBD COc1ccc(CC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)cc1[N+](=O)[O-] 727663900 VODALKULTMWQPM-UHFFFAOYSA-N 428.426 4.125 5 20 IIBD O=C(Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1)c1ccc2nccn2c1 728456089 FOXOBEIXEGVRAQ-UHFFFAOYSA-N 436.811 4.367 5 20 IIBD O=C(OCc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 728991462 GUHVSOOGAJMGDN-KRWDZBQOSA-N 441.242 4.389 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CCc1nc2cc(Cl)ccc2s1 730607378 FSZJLRREVWOTMF-UHFFFAOYSA-N 433.873 4.281 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C)c2ccc(F)c(Br)c2)cc1[N+](=O)[O-] 730981431 GUYMJOBACAAEPH-SECBINFHSA-N 426.198 4.204 5 20 IIBD Cc1nn(Cc2ccc(C(=O)O[C@H](C)COc3cccc(F)c3)cc2)c(C)c1[N+](=O)[O-] 731778339 IUHGXCLZUMLATJ-CQSZACIVSA-N 427.432 4.220 5 20 IIBD CCCc1[nH]nc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)c1[N+](=O)[O-] 731810845 UPJCMGGGMQAXBD-UHFFFAOYSA-N 429.477 4.210 5 20 IIBD CCC(CC)(CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)N[C@H](C)c1ccccc1 732294208 UKVJHVNRJJBKCC-MRXNPFEDSA-N 428.489 4.451 5 20 IIBD COc1ccc(Cl)cc1-c1cc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)n[nH]1 735331709 OSZRZVCSEAUCGS-UHFFFAOYSA-N 445.819 4.424 5 20 IIBD Cc1nn(Cc2ccc(C(=O)OC[C@H]3CCN(c4ccccc4)C3)cc2)c(C)c1[N+](=O)[O-] 744172958 JJYIHCGFAGSUOW-FQEVSTJZSA-N 434.496 4.140 5 20 IIBD CCOC(=O)c1nc(-c2ccccc2)oc1COC(=O)c1ccc([N+](=O)[O-])cc1Cl 744481056 KCMHQNRJFJCKCD-UHFFFAOYSA-N 430.800 4.437 5 20 IIBD COC(=O)[C@@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl 744619350 UHJBXGHLGOXMDV-INIZCTEOSA-N 430.265 4.451 5 20 IIBD O=C(NCCCOC1CCN(Cc2ccccc2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 748934789 VUPGJGFIUXXHFW-UHFFFAOYSA-N 446.935 4.441 5 20 IIBD O=C(COC(=O)c1ccc(Br)cc1[N+](=O)[O-])Nc1ccccc1C(F)(F)F 750964947 OPHGGIJLKAEJNW-UHFFFAOYSA-N 447.163 4.172 5 20 IIBD C[C@H](NC(=O)COC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(Cl)cc1 750969310 ZFVJIKIELXSFDW-JTQLQIEISA-N 441.665 4.045 5 20 IIBD CN(Cc1ccc(Cl)s1)C(=O)COC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 751633747 GXWUFEJGSSHHKR-UHFFFAOYSA-N 449.337 4.257 5 20 IIBD O=C(CSc1nccn1-c1cccc(Cl)c1)OCc1nc2cc([N+](=O)[O-])ccc2o1 751637634 ZHGMJJBKEHJOCH-UHFFFAOYSA-N 444.856 4.411 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@@H](C)OC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 751644654 PZYSINWFSNLCFO-GFCCVEGCSA-N 438.889 4.228 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)CCSc1ccccn1)c1cccc([N+](=O)[O-])c1 755202149 ZUZYQNWYIVEMAX-GOSISDBHSA-N 443.525 4.100 5 20 IIBD CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 756018122 LEZZDOCMKGCATC-QFIPXVFZSA-N 429.492 4.166 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccccc1)C[C@H](O)c1cccs1 756058701 WSXXSGVJQBRTQA-FQEVSTJZSA-N 425.510 4.139 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])N(Cc1ccccc1)C[C@@H](O)c1ccsc1 757088616 CTTNXXZHAAYLPJ-HXUWFJFHSA-N 426.494 4.188 5 20 IIBD Cc1cc(F)cc(C(=O)NCCCOc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-] 757291081 QBPHSHMMEKIZFV-UHFFFAOYSA-N 435.761 4.308 5 20 IIBD COc1ccc(-c2cncc(C(=O)OCC3CCN(c4ccc([N+](=O)[O-])cn4)CC3)c2)cc1 757880032 LWQZDRWPCQSMSK-UHFFFAOYSA-N 448.479 4.134 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C(=O)Nc2ccccn2)c1 761894522 PNWAMEJNJYXIFF-UHFFFAOYSA-N 446.872 4.005 5 20 IIBD CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2csc(Cl)c2Cl)NC(=S)N1 761930213 VSZSSRDKGOPRIH-ZDUSSCGKSA-N 443.337 4.395 5 20 IIBD Cc1c(C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 762701321 ZVNNTHNKIRBEPL-UHFFFAOYSA-N 448.435 4.302 5 20 IIBD Cc1cc(Br)ccc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 763718295 BEFNNWASCHNYBL-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD C[C@H]1[C@@H](C(F)(F)F)OC(=O)N1c1ncccc1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] 764301082 PGQIXZBOQOUYBD-SDBXPKJASA-N 444.753 4.172 5 20 IIBD CN(C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1nc2cccc(Cl)c2s1 767308768 PBTXMIKYWZDMIP-SNVBAGLBSA-N 448.863 4.013 5 20 IIBD O=C(OCc1csc(-c2ccccc2F)n1)c1cc(Br)ncc1[N+](=O)[O-] 769826008 PHGLYZSJISSYTB-UHFFFAOYSA-N 438.234 4.372 5 20 IIBD CN1C(=O)CC[C@@H](C(=O)Oc2cc(F)cc([N+](=O)[O-])c2)[C@H]1c1ccc(C(F)(F)F)cc1 771485613 AUQWLWLQANMQRB-SJLPKXTDSA-N 440.349 4.268 5 20 IIBD C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)[C@@H](c1ccccc1)N(C)C 771510758 SUWKUAMLVGOWER-GTNSWQLSSA-N 440.725 4.432 5 20 IIBD Cc1cc(C[C@H](C)NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)n(-c2ccccc2)n1 773088074 KQWHGFFVGSZTKV-ZDUSSCGKSA-N 443.301 4.212 5 20 IIBD C[C@@H]1C[C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1C(=O)OC(C)(C)C 773774746 DYFQWTIKUXSSOS-UKRRQHHQSA-N 446.529 4.236 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 775537981 YIAFZROLFNDAPC-WMLDXEAASA-N 437.562 4.471 5 20 IIBD COc1ccc(-c2nnc(SC[C@@H](O)c3ccc([N+](=O)[O-])cc3)n2CC(C)C)cc1 776270624 DVBOBGUTGVOUSY-LJQANCHMSA-N 428.514 4.344 5 20 IIBD C[C@H](Sc1nc2ccccc2s1)C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 776474171 NVGYMVLUQGJWKZ-JTQLQIEISA-N 426.483 4.109 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1 777971812 MQFUCRYFAFSOMK-HNNXBMFYSA-N 445.472 4.056 5 20 IIBD CC1(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN(C(=O)OC(C)(C)C)CC1 778078111 YBUDKTUJYFICDM-UHFFFAOYSA-N 431.411 4.133 5 20 IIBD Cc1ccc(C(=O)N2CCC[C@@H](COC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)C2)o1 781465343 GWPHMAPBEQPFGA-QGZVFWFLSA-N 444.487 4.292 5 20 IIBD CC[C@@H](c1ccccc1)c1nnc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 781647897 DBFOFBBKYKZYEU-INIZCTEOSA-N 441.469 4.468 5 20 IIBD C[C@@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(OC(F)(F)F)c1 781700813 XXQLYRUWWYXUKQ-LLVKDONJSA-N 427.335 4.212 5 20 IIBD O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781798171 MLYZAARJURYCOH-RDJZCZTQSA-N 425.338 4.037 5 20 IIBD C[C@@H](CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1c(Cl)cccc1Cl 783319988 RRLNGHBFPSBDMW-VIFPVBQESA-N 430.675 4.413 5 20 IIBD CC(C)N(Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N)cc1)C[C@@H]1CCCCO1 787217835 FFGLIJSDAWQXMC-FQEVSTJZSA-N 426.517 4.209 5 20 IIBD Cc1cnc(COC(=O)C[C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1[N+](=O)[O-] 789439674 DSMYNVGWVUZCJR-CQSZACIVSA-N 435.521 4.323 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 790881713 DTALGCRKDCISQX-QWHCGFSZSA-N 443.903 4.082 5 20 IIBD Cc1c(CNC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cccc1[N+](=O)[O-] 791015909 KHPFCNJGEVOQFO-QFIPXVFZSA-N 447.491 4.057 5 20 IIBD COc1ccc(-c2nc(C)c(C(=O)OCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])s2)cc1 791628883 YZOVSIZJWVLOBN-UHFFFAOYSA-N 429.410 4.301 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N(CCO)Cc1ccc(Br)s1 792294092 CTPHSFZZJPEMRZ-UHFFFAOYSA-N 434.699 4.099 5 20 IIBD Cc1[nH]c2ccccc2c1C1CCN(Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)CC1 794623394 MSEWMIYKGUTTGW-UHFFFAOYSA-N 433.468 4.038 5 20 IIBD C[C@@H](NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)c1ccc(Oc2cccnc2)cc1 807899515 SYAXLYUKEQAIQT-QRQCRPRQSA-N 432.436 4.153 5 20 IIBD CNc1ccc(Cl)c(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 808609771 HILIOLKNBCURGH-VIFPVBQESA-N 445.781 4.493 5 20 IIBD CCC1(CC)CCC(NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 810403660 ZTOWPGIVXZXPAX-UHFFFAOYSA-N 426.311 4.161 5 20 IIBD CCc1ccc(C(=O)N2CCC([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1[N+](=O)[O-] 810949982 VESKCMVRMVXYDN-IBGZPJMESA-N 431.533 4.266 5 20 IIBD O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F 811214896 HWZZPPFAQOUHTD-KBXIAJHMSA-N 428.388 4.117 5 20 IIBD CC(C)c1scnc1C(=O)O[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 811265399 MMIDCTRHFCJFIH-NSHDSACASA-N 446.510 4.482 5 20 IIBD C[C@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCCCC2=O)cc1 812385703 DXIOGFPCUSDEPG-INIZCTEOSA-N 447.495 4.003 5 20 IIBD CCOc1cc(Br)c(F)cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 813305606 CQPZQCXRHCCAKR-UHFFFAOYSA-N 428.170 4.056 5 20 IIBD CCc1noc(C)c1CNc1ccc([N+](=O)[O-])c(NCc2c(CC)noc2C)c1[N+](=O)[O-] 814900752 GUDUHHRMOLUZGO-UHFFFAOYSA-N 444.448 4.445 5 20 IIBD CCOc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 815511422 JJTQXRMHKCSSTD-NSHDSACASA-N 426.347 4.196 5 20 IIBD COc1cc([C@@H]2NC(=O)c3cc(F)c(F)cc3N2)ccc1OCc1ccc([N+](=O)[O-])cc1 877858436 HEQHXMKZDZDKAE-NRFANRHFSA-N 441.390 4.315 5 20 IIBD COc1ccc(CSCC(=O)OCc2nc3ccccc3n2C(F)F)cc1[N+](=O)[O-] 914722111 PRJVYQCWYDVUOS-UHFFFAOYSA-N 437.424 4.325 5 20 IIBD CCN(Cc1cccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c1)C(=O)OC(C)(C)C 918564705 IEZMRRILOGFDNV-UHFFFAOYSA-N 432.452 4.325 5 20 IIBD CN(C(=O)COC(=O)c1csc([N+](=O)[O-])c1)[C@@H](c1ccccc1)c1ccc(F)cc1 919371908 SSAUNGRFRYNAFV-FQEVSTJZSA-N 428.441 4.200 5 20 IIBD CSc1nc(C)c(CCC(=O)Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])c(O)n1 920330779 NMMCMDSCEFAGLW-UHFFFAOYSA-N 425.466 4.326 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccc3nc(O)oc3c2)c2ccccc2)c([N+](=O)[O-])c1 920613788 JYAMSFGSQNWFCA-FQEVSTJZSA-N 447.403 4.287 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1 920704797 JPSAGQJLMPIHIO-WDEREUQCSA-N 441.267 4.333 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 1115931632 CZYQGYJNTVLHCP-UHFFFAOYSA-N 444.491 4.411 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nnc(-c3ccccc3Cl)o2)cc1 1118129141 NHSDMFHGHOPEAY-QGZVFWFLSA-N 448.888 4.214 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 1318434124 TVLZIMBYURKQGT-UHFFFAOYSA-N 445.479 4.479 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3cncc(OCC(F)F)c3)n2)c(Br)c1 1320208915 DNNIFJXQAYXTIX-UHFFFAOYSA-N 441.188 4.037 5 20 IIBD C[C@@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 1793944586 YEMYDXHZDYIAQE-IITNATTFSA-N 449.551 4.359 5 20 IIBD Cc1ccccc1CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C2 1801764127 HDJKIIQQRWKNPW-NUNAXRQHSA-N 449.551 4.107 5 20 IIBD CC1(C(=O)N2CCCC3(CCN(C(=O)Cc4cc(F)ccc4[N+](=O)[O-])CC3)C2)CCCC1 1804991749 RIQQTSVMMREHMN-UHFFFAOYSA-N 445.535 4.088 5 20 IIBD C[C@H]1C[C@]1(C)C(=O)N1CCC2(CCCN(C(=O)Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 1805485165 SQTSBNSWWNRVAU-AOMKIAJQSA-N 447.963 4.068 5 20 IIBD CC(C)(C)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cccc([N+](=O)[O-])c2)n[nH]1 1815537120 CUAHHBJXCZYEOV-IBGZPJMESA-N 441.532 4.379 5 20 IIBD C[C@@H]1C[C@@]1(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1824841775 NWYPBTUEGLTDRD-YBGOQADZSA-N 441.572 4.193 5 20 IIBD Cc1c(Cl)cccc1C(=O)N1CCCC12CN(C(=O)CCc1cccc([N+](=O)[O-])c1)C2 1841157021 XHAVALSPBLVYCX-UHFFFAOYSA-N 441.915 4.006 5 20 IIBD COc1ccccc1Nc1nnc(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)s1 3494262 YNJOERKFLDDXIA-NSHDSACASA-N 431.499 4.318 5 20 IIBD COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 16490043 ZUCYBTBHEQSYPH-KRWDZBQOSA-N 446.257 4.075 5 20 IIBD Cc1ccc(C2=NN(C(=O)COC(=O)c3ccccc3[N+](=O)[O-])[C@@H](c3ccco3)C2)cc1 22109479 BHIZWZRUQISCDB-HXUWFJFHSA-N 433.420 4.031 5 20 IIBD Cc1ccc(C(=O)c2ccccc2C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 29606198 WGDVWUPROZMKII-UHFFFAOYSA-N 429.476 4.097 5 20 IIBD O=C(c1ccccc1)c1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 30775538 LWXYEBBDAUPGKU-UHFFFAOYSA-N 449.894 4.442 5 20 IIBD COC(=O)c1cc(C(=O)NCc2ccccc2COCc2ccccc2)cc([N+](=O)[O-])c1 46758972 AGVNMFPRRCZPLQ-UHFFFAOYSA-N 434.448 4.028 5 20 IIBD COc1cc(C(=O)N2CC[C@H](N3CCCC3)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 110514064 WLAYMMXQDZQXNL-KRWDZBQOSA-N 445.903 4.359 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CC[C@H](Nc3ccccc3)C2)cc1[N+](=O)[O-])c1ccccn1 110885469 XTKXBAYCZUEKKH-XLIONFOSSA-N 431.496 4.490 5 20 IIBD CCN(C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])c1ccc(Br)cn1 112532562 NWHUINFLWKVMRR-UHFFFAOYSA-N 426.292 4.150 5 20 IIBD CC(C)[C@@H](CNCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCN(C)CC1 236704116 ZCZCXAKLNYOWMB-JOCHJYFZSA-N 446.979 4.402 5 20 IIBD CNC(=O)c1ccc(Sc2nnc(-c3ccccn3)n2-c2ccc(C)cc2)c([N+](=O)[O-])c1 301735076 ZOROJVXGGGPKPL-UHFFFAOYSA-N 446.492 4.057 5 20 IIBD COc1cc(N2CCO[C@H](c3ccc(F)c(Br)c3)C2)c(F)cc1[N+](=O)[O-] 302426874 OWYJOITYSQCYLL-KRWDZBQOSA-N 429.217 4.222 5 20 IIBD Cc1ccc(CN2CCSCC2)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 303093221 IQFRDUQWNULFIS-UHFFFAOYSA-N 440.569 4.305 5 20 IIBD O=C(NCc1ccccc1CN1CCCCCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 303464348 GKUXQHCCAYEENG-UHFFFAOYSA-N 433.512 4.087 5 20 IIBD O=C(O)[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1ccc(OC(F)F)c(Cl)c1 426735639 GFLYVNVZQMQCHJ-MRXNPFEDSA-N 439.802 4.116 5 20 IIBD O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCC[C@@](O)(C(F)(F)F)C1 426872963 CCIZWMCFOQLESI-SFHVURJKSA-N 426.416 4.275 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC=C(c2c[nH]c3ncccc23)CC1 432770872 IVJPFMJVCVDVTL-UHFFFAOYSA-N 427.258 4.163 5 20 IIBD O=[N+]([O-])c1ccc(N2CCO[C@H](c3ccccc3)C2)nc1N1CCO[C@H](c2ccccc2)C1 433608394 KBEABHPKDKMDND-GOTSBHOMSA-N 446.507 4.146 5 20 IIBD CCCc1c(NC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cnn1-c1ccc(C)cc1 433667298 ORECEVUCOYZDRO-UHFFFAOYSA-N 435.484 4.235 5 20 IIBD COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1 433985038 UAJQETGHTWVCQE-SFHVURJKSA-N 426.448 4.303 5 20 IIBD CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 435949029 JZVFNZSQJREKQP-UHFFFAOYSA-N 444.441 4.417 5 20 IIBD COc1ccc(CCNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc1F 436328444 WBHFWWNVWRSJPQ-UHFFFAOYSA-N 426.394 4.080 5 20 IIBD CN(C[C@@H]1OCCc2ccccc21)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436361094 BVHOFHIWPIYPBP-QFIPXVFZSA-N 434.442 4.346 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H](C)[C@H]1c1ccc(C(F)(F)F)cc1 437732607 MURDSXCIGOETFH-TYILLQQXSA-N 449.429 4.342 5 20 IIBD CN(CCCNC(=O)C1CCC1)C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] 440883305 SBZJHGQMMPHQNM-UHFFFAOYSA-N 427.526 4.124 5 20 IIBD Cc1cncc(N(Cc2ccc(F)cc2)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1 441403660 LHFCMAWVIIAPAS-UHFFFAOYSA-N 431.427 4.470 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3O 443003256 QTTLDEZAMMXZDS-QSYYXBDASA-N 430.913 4.241 5 20 IIBD C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 444107440 VPWWRRSUEYLAAD-MBSDFSHPSA-N 425.532 4.322 5 20 IIBD Cc1nc2ccccc2n1Cc1cc(NC(=O)c2cnc(O)c([N+](=O)[O-])c2)ccc1Cl 445195049 ZHENFBISYNICRT-UHFFFAOYSA-N 437.843 4.308 5 20 IIBD CCN(Cc1ccccc1)C(=O)Cc1noc([C@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 445778920 ANKHVKIQYLKWSP-HNNXBMFYSA-N 426.498 4.422 5 20 IIBD COc1ccc([C@@H](C)NC(=O)Cc2noc([C@@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)cc1 445806395 VJTLCXPCBXLFNZ-ZIAGYGMSSA-N 442.497 4.260 5 20 IIBD CC(C)CNC(=O)c1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 446444230 KJIGBDSPQBFMPE-UHFFFAOYSA-N 426.292 4.057 5 20 IIBD C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1nc(C2CCCCC2)no1 447037566 LEHRLOMELMHFLR-JTQLQIEISA-N 448.423 4.084 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(Cl)c(Br)c2)cc1[N+](=O)[O-] 447228616 CDEXWKWWGMSJNI-SNVBAGLBSA-N 440.681 4.135 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 448075286 UXNFUJVHGZWVTC-FZKQIMNGSA-N 431.334 4.359 5 20 IIBD CCn1c(S[C@H]2CCCN(CC(F)(F)F)C2=O)nc2cc3ccccc3cc2c1=O 448108098 NTJCJIBNAIQTTB-KRWDZBQOSA-N 435.471 4.215 5 20 IIBD Cc1sc(NC(=O)c2ccc(O[C@@H]3CCOC3)cc2)nc1-c1cccc([N+](=O)[O-])c1 448199815 WNJSDXUMQBULOO-GOSISDBHSA-N 425.466 4.447 5 20 IIBD CC(C)n1ncc2c(C(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)cc(-c3ccco3)nc21 461402712 XIQSBWCBIGPRAT-UHFFFAOYSA-N 447.451 4.215 5 20 IIBD CCOc1cc(C(=O)N[C@@H](C)c2ccc(-n3nc(C)cc3C)cc2)c([N+](=O)[O-])cc1OC 461593326 CFPPAQZDDGFUBW-INIZCTEOSA-N 438.484 4.296 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1SCCc2ccccc21 463654712 XFOOSLLHAALQSL-QGZVFWFLSA-N 425.432 4.172 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 463945305 BEMCHUSMENJHMG-QGZVFWFLSA-N 439.516 4.351 5 20 IIBD CSc1cccc([C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)c2cc(F)ccc2F)c1 464136572 UBRKNWLMJLTMTO-FQEVSTJZSA-N 432.452 4.087 5 20 IIBD CSc1ccc(C(=O)N(CCCOc2ccccc2)C2CCOCC2)cc1[N+](=O)[O-] 464174575 MCYOJRZOUPOHAS-UHFFFAOYSA-N 430.526 4.407 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NCC1(c2cccc(Cl)c2)CCCC1 465170086 QHZRVSFRUSWONE-UHFFFAOYSA-N 430.888 4.190 5 20 IIBD CCC(CC)[C@H](CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)N1CCCC1 465576321 MNWULGBLCDPBAS-QFIPXVFZSA-N 432.565 4.048 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CCCC(=O)c1ccc2c(c1)OCCO2 466214160 APQAROJOEVAXLR-UHFFFAOYSA-N 426.469 4.156 5 20 IIBD COc1cccc(C(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c2cccc(OC)c2)c1 467080871 IMBBPNAPRXGBFM-UHFFFAOYSA-N 448.522 4.050 5 20 IIBD O=C(C[C@@H]1CCCCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccco1 469053055 RJCSSLQPSXDAOG-SFHVURJKSA-N 425.485 4.446 5 20 IIBD COc1ccc2c(c1)CN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)[C@@H](C1CCCCC1)C2 470166714 XCADHILNPZEUJP-JOCHJYFZSA-N 440.544 4.341 5 20 IIBD Cc1c(C(=O)Nc2nnc(-c3cc4ccccc4o3)s2)nnn1-c1cccc([N+](=O)[O-])c1 470374381 PCNBCNATWBIZOR-UHFFFAOYSA-N 447.436 4.001 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 470840471 KKUDWKMOLQPONX-UHFFFAOYSA-N 437.427 4.315 5 20 IIBD Cc1ccccc1[C@H](OC[C@H](O)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)c1ccccc1 470880554 RAJPURJAWGJXMQ-PXDATVDWSA-N 444.491 4.329 5 20 IIBD Cc1cc(-c2noc([C@H](C)NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)ccc1F 472381733 MPPCYDKTHMWCGJ-QWHCGFSZSA-N 430.461 4.450 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 472628474 RRDDUTHMBWWMLP-CYBMUJFWSA-N 442.472 4.324 5 20 IIBD CCOC(=O)[C@@H](NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C1CCOCC1 475135488 FHABOFLNXNEZGJ-NRFANRHFSA-N 448.903 4.488 5 20 IIBD COc1cc(C(=O)N2C[C@H](C)Oc3c(Cl)cccc32)c([N+](=O)[O-])cc1OC(F)F 476105652 BXYIPAQGVZKLRX-VIFPVBQESA-N 428.775 4.286 5 20 IIBD Cc1ccc(NCCCNC(=O)[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)c([N+](=O)[O-])c1 476987279 GFJUYBWBELWENZ-ZDUSSCGKSA-N 441.454 4.001 5 20 IIBD COc1ccc(C(=O)N2CCOc3cc(Br)c(Cl)cc32)cc1[N+](=O)[O-] 481215837 QSVHMOQGFANKPS-UHFFFAOYSA-N 427.638 4.059 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2CCCc3c[nH]nc32)cc1[N+](=O)[O-] 484783333 YUFVEEJZEGVGJG-QGZVFWFLSA-N 436.493 4.078 5 20 IIBD C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1sc(Br)cc1[N+](=O)[O-] 486355497 HADMWJHLYGECLC-QMMMGPOBSA-N 426.317 4.390 5 20 IIBD COC(=O)c1c(Br)ccc(NC(=O)NCc2cccc([N+](=O)[O-])c2C)c1C 486766323 VAFQXUJYGJCLHG-UHFFFAOYSA-N 436.262 4.082 5 20 IIBD C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 486992062 AVIPHGXANTYSJE-NSHDSACASA-N 429.329 4.442 5 20 IIBD Cc1cnccc1OC1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1 487241960 OUMZYFUAONOHSU-UHFFFAOYSA-N 438.528 4.218 5 20 IIBD CCOC(=O)[C@@H](c1ccc(Cl)cc1)N(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)C1CC1 487264284 LXWHXWMFAJKNSW-LJQANCHMSA-N 432.860 4.166 5 20 IIBD COc1cc(C(=O)Nc2cnn([C@H](C)C3CC3)c2)c([N+](=O)[O-])cc1OCc1cscn1 491100739 HPARSCPWXAMUDS-GFCCVEGCSA-N 443.485 4.059 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(S(=O)(=O)C2CCCCC2)c1 491431636 FVTHPPICLNXHQU-UHFFFAOYSA-N 432.498 4.352 5 20 IIBD C[C@@H](NCc1cc(I)cc([N+](=O)[O-])c1)[C@@H]1OCCc2sccc21 492195436 VWTLMIFEBFREAB-HWPZZCPQSA-N 444.294 4.053 5 20 IIBD CCCCN(C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CCCCC1 493902953 HHPFABRWWUTBMX-UHFFFAOYSA-N 426.311 4.257 5 20 IIBD COCCN(Cc1ccc(Br)s1)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 494137366 QGYIDCSMUVHXEB-UHFFFAOYSA-N 428.308 4.408 5 20 IIBD CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@H](c1cccnc1)c1ccc(F)cc1F 496533766 IOVPKMCIWCEHGB-JOCHJYFZSA-N 427.407 4.285 5 20 IIBD CN(c1ccc(Br)cc1Cl)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] 499176975 QVDGDZFBRAOKQU-UHFFFAOYSA-N 433.711 4.019 5 20 IIBD COc1cccc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1OC1CCCC1 500151408 ACSCATFWKFHWFQ-UHFFFAOYSA-N 440.905 4.057 5 20 IIBD CC[C@H](NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1OC(F)F 502644276 LNSOLBXXTVJUJV-INIZCTEOSA-N 434.443 4.179 5 20 IIBD CS(=O)(=O)c1ccc(N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)c([N+](=O)[O-])c1 502778049 DEJYTVBSAKFWEW-LJQANCHMSA-N 431.901 4.443 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(N3CCOCC3)oc2c1 503661962 DIXHJXMACCTJMI-UHFFFAOYSA-N 442.497 4.327 5 20 IIBD Cc1nc2ccccc2n1CCNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 506056559 VNIOOEJMPLLXEU-INIZCTEOSA-N 444.495 4.251 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 506735739 GIEKVDHMQFCQOR-UHFFFAOYSA-N 445.903 4.209 5 20 IIBD CC(C)N(Cc1nc(O)c2ccccc2n1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 507459800 KPZRMBJSJXKPRU-UHFFFAOYSA-N 432.484 4.055 5 20 IIBD Cc1cc(-c2cccc(F)c2)nnc1N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 509873161 NHYDKKPCBQEPHM-UHFFFAOYSA-N 447.474 4.092 5 20 IIBD O=C(N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 509974465 WMTQPMKXGXQRGF-WBVHZDCISA-N 445.401 4.260 5 20 IIBD COc1cc(C(=O)N[C@H]2CCc3cc(C)ccc32)c([N+](=O)[O-])cc1OCc1cscn1 510133080 MWIGCOATUBPLMA-SFHVURJKSA-N 439.493 4.365 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F 511398002 YNWJFWCANJJZCL-DOTOQJQBSA-N 435.402 4.313 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 511398004 YNWJFWCANJJZCL-NVXWUHKLSA-N 435.402 4.313 5 20 IIBD COC(=O)c1c(F)cc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1F 512540390 MVDVQSWBLKCQCW-UHFFFAOYSA-N 447.316 4.119 5 20 IIBD CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 513069445 OFKQYKIZZYJKBM-ZJSXRUAMSA-N 447.539 4.230 5 20 IIBD Cn1cc(Cl)cc1C(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 515562274 IBJGZKXHLIZSMY-UHFFFAOYSA-N 444.944 4.273 5 20 IIBD O=C(NCc1cccc(NC(=O)c2ccncc2)c1)Nc1ccc([N+](=O)[O-])cc1Cl 517806111 KOBGBDWCVOXEOA-UHFFFAOYSA-N 425.832 4.217 5 20 IIBD C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 518616740 NBWVBOIXCCDWEL-SNVBAGLBSA-N 431.297 4.138 5 20 IIBD COC(=O)[C@@H](C)NC(=O)c1ccc(N[C@@H]2CCC(C)(C)c3ccccc32)c([N+](=O)[O-])c1 520152844 JAQBKLMDPCUKBC-RDTXWAMCSA-N 425.485 4.111 5 20 IIBD CCCN(Cc1ccccc1Br)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 520156100 PAWGLZZWMKJXSO-UHFFFAOYSA-N 427.320 4.099 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CC3(CCC3)c3c(F)cccc32)c1 521761919 YZILJRHSBBIRHR-UHFFFAOYSA-N 441.278 4.127 5 20 IIBD COCc1nc(CN[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cs1 522045705 CXQHFEFPSQRMOY-LJQANCHMSA-N 446.916 4.321 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccc(CC(=O)Nc2ccccc2F)cc1 523396808 GCMFHFPQMIDWMB-UHFFFAOYSA-N 436.443 4.274 5 20 IIBD COc1cc(C(=O)NCCc2ccc(-c3csc(C)n3)s2)cc([N+](=O)[O-])c1OC 525073882 NYIXMZKUXWBNQX-UHFFFAOYSA-N 433.511 4.078 5 20 IIBD C[C@H](Oc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1)c1ccccc1 530467369 RWKFRKHMSYFYDX-SFHVURJKSA-N 432.480 4.092 5 20 IIBD CC(=O)Nc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc(C(F)(F)F)c1 532368298 RBUMWNIIAVCSDG-UHFFFAOYSA-N 433.289 4.426 5 20 IIBD CC(=O)c1ccc(Oc2ccc(C(=O)N3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc2)cc1 534765402 AQKCPLMHJSFKLW-LJQANCHMSA-N 446.463 4.311 5 20 IIBD CC[C@H](C[C@H](C)CO)NC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 535422848 IDOLIUFVBGQDJI-GOEBONIOSA-N 430.526 4.075 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(C(=O)c2ccccc2F)CC1 537138570 XWLCKDRHTFYVLL-UHFFFAOYSA-N 445.516 4.223 5 20 IIBD Cc1cccc(-n2nnc(C(=O)N(C)c3nc(-c4ccccc4[N+](=O)[O-])cs3)c2C)c1 538251965 YFMPMFAZQGJQNP-UHFFFAOYSA-N 434.481 4.192 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 539356221 RNWKRBWSVWSRJB-UHFFFAOYSA-N 442.476 4.340 5 20 IIBD COc1ccc(CCNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])cc1OC(F)F 539930946 HODZKTPIPTYPOC-UHFFFAOYSA-N 443.406 4.239 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2 543644906 UHGOFVWWOFABRM-HOTGVXAUSA-N 435.402 4.145 5 20 IIBD O=C(NCc1ccc(-n2cncn2)cc1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 544506029 YYVCCLALKVFPGG-UHFFFAOYSA-N 437.525 4.388 5 20 IIBD COc1ccc(Br)cc1-c1noc(CCCNc2ccc([N+](=O)[O-])cc2)n1 545638884 LGZDSTUEKFMRTC-UHFFFAOYSA-N 433.262 4.461 5 20 IIBD O=[N+]([O-])c1ccccc1Cc1noc(-c2cccc(NS(=O)(=O)c3cccs3)c2)n1 546947437 GTMYRINVDJQMLI-UHFFFAOYSA-N 442.478 4.098 5 20 IIBD COc1cccc(-n2ccnc2SCc2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)c1 547193728 JHGDDHKXLQWOCK-UHFFFAOYSA-N 437.481 4.364 5 20 IIBD CNC(=O)c1cnc(/C=C\c2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)s1 549684367 UBTUKGJHRLDVCS-POHAHGRESA-N 425.466 4.169 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)NCc2cc(F)c(Cl)cc2F)cc1[N+](=O)[O-] 551478371 QDVWZYRPAQPXEQ-UHFFFAOYSA-N 425.819 4.079 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@H]1CCS(=O)(=O)c2ccccc21 551536776 VKVAMZOZTPYHOR-FQEVSTJZSA-N 438.461 4.287 5 20 IIBD Cn1ccnc1[C@@H](N[C@H]1CCN(c2ccccc2C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 552066223 ABIODMBPPQWSFE-JXFKEZNVSA-N 445.445 4.305 5 20 IIBD CS(=O)(=O)c1cccc(Br)c1NCCc1ccc(Cl)cc1[N+](=O)[O-] 553518540 HHAHKAHEDJGHEP-UHFFFAOYSA-N 433.711 4.069 5 20 IIBD CC(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1Cl 556547500 AACCTCXPRJZDOP-UHFFFAOYSA-N 432.864 4.081 5 20 IIBD O=C(N[C@H]1CCSc2ccc(Cl)cc21)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 557210188 PDAAALDSRIOXJQ-KRWDZBQOSA-N 445.928 4.093 5 20 IIBD O=C1CSc2ccc(Nc3cc(C(F)(F)F)ncc3[N+](=O)[O-])cc2N1CC(F)F 557671011 JPYOPFKYJSJSSU-UHFFFAOYSA-N 434.346 4.456 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3cncc(C(F)(F)F)c3)n2)c(Br)c1 564610278 QTASIYWCGRSSTO-UHFFFAOYSA-N 429.152 4.412 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccc(-c2cccc(OC)c2)cc1 569278683 BLTWAPYNIZRLEY-UHFFFAOYSA-N 433.464 4.088 5 20 IIBD Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 581955786 CGXCXEYGCRDZAG-UXHICEINSA-N 443.507 4.401 5 20 IIBD CN(c1nc2ccc(Cl)cc2s1)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 584753240 NNLZMAZMTKTIHZ-UHFFFAOYSA-N 434.886 4.231 5 20 IIBD Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2c2nc(-c3ccc([N+](=O)[O-])s3)no2)c(C)c1 589147286 NDTNLLKMMCEARK-AWEZNQCLSA-N 448.526 4.157 5 20 IIBD C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 589323671 PEXVVKYNUWOXNJ-MRXNPFEDSA-N 438.484 4.036 5 20 IIBD O=C(N[C@H]1CC[C@@](O)(C(F)(F)F)C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 590426564 ISNXPUAHLYVWOP-SGTLLEGYSA-N 426.416 4.322 5 20 IIBD O=C(c1cc(Cl)ccc1I)N1CCc2ccc([N+](=O)[O-])cc21 603636696 UROBMQCHCLXBMZ-UHFFFAOYSA-N 428.613 4.056 5 20 IIBD COc1cc(C(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)c([N+](=O)[O-])cc1OC 603641683 OMDLDQRSAJIVOR-HNNXBMFYSA-N 437.452 4.077 5 20 IIBD COCCOc1ccc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c(C)c1 603976544 GFNUJHVIXVHTFP-UHFFFAOYSA-N 438.484 4.042 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccc(Br)c(F)c1 604497834 KKDWPXDNHJRXKE-SECBINFHSA-N 431.645 4.234 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 608965127 QZLNHRLSCBXUFP-GOSISDBHSA-N 425.268 4.271 5 20 IIBD CNC(=O)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cc1 609190959 PLXIYIBKAJYLHB-UHFFFAOYSA-N 435.436 4.154 5 20 IIBD Cc1ccc(-c2nnc(-c3ccc(C(=O)NCCOc4ccc([N+](=O)[O-])cc4)cc3)o2)cc1 609461218 KPGGKIFHUUKQOH-UHFFFAOYSA-N 444.447 4.429 5 20 IIBD CS(=O)(=O)Nc1ccccc1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609762687 OLEPRFOXYVDCCY-UHFFFAOYSA-N 427.438 4.011 5 20 IIBD CCc1nc([C@@H]2CCCCN2C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])no1 609975230 KWAYKCVPRHBICU-LBPRGKRZSA-N 444.435 4.405 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCO[C@@H](c2ccccc2Cl)C1 610063628 DCKRBROMNPTTAL-MRXNPFEDSA-N 425.666 4.224 5 20 IIBD O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 610316365 OKYFBVQMLWCHNI-UHFFFAOYSA-N 443.428 4.216 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)CCc1ccc2ccccc2n1)c1ccccc1[N+](=O)[O-] 610925463 PFMNUZJVAFNMAQ-OAQYLSRUSA-N 435.480 4.275 5 20 IIBD CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)CC2 611208213 PWJUQNMFHHUPRC-UXHICEINSA-N 434.558 4.022 5 20 IIBD COc1cc(CN2CC[C@H](Oc3cccc(F)c3)C2)c([N+](=O)[O-])cc1OCC(F)F 612174715 MWFWRMSJBAKAPN-INIZCTEOSA-N 426.391 4.040 5 20 IIBD Cn1ncc(-c2nc3ccccc3[nH]2)c1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 648011771 XRQASRZJNMWCDH-UHFFFAOYSA-N 448.486 4.070 5 20 IIBD CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(I)c([N+](=O)[O-])c1 727749372 FVVPACIAQWDFDY-CYBMUJFWSA-N 442.278 4.411 5 20 IIBD Cn1cc(C(=O)OCc2coc(-c3ccc(F)c(F)c3)n2)c(-c2ccc([N+](=O)[O-])cc2)n1 728624516 HKSRWRYXTDFQFE-UHFFFAOYSA-N 440.362 4.286 5 20 IIBD Cc1ccc2oc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4C(F)(F)F)CC3)cc2n1 729181658 DSCNYDOGEQNNLI-UHFFFAOYSA-N 434.374 4.026 5 20 IIBD CCOC(=O)C1=C(c2ccc([N+](=O)[O-])cc2)NC(=S)N[C@H]1c1ccc2ccccc2c1 731448688 SJWLSKUWTROEHK-NRFANRHFSA-N 433.489 4.241 5 20 IIBD CCCCCOc1ccc(OC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 731957498 NTHMAALKSPQYQJ-KRWDZBQOSA-N 432.498 4.436 5 20 IIBD CC(C)n1c(S)nnc1[C@@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 732169228 QOMGASIWSCQUOW-GFCCVEGCSA-N 431.543 4.290 5 20 IIBD Cc1c(C(=O)NC[C@@H](CC(C)C)N[C@H](C)c2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 732293119 CLTGODQWSJUPBC-SJLPKXTDSA-N 428.489 4.307 5 20 IIBD COc1ccc(C2=N/C(=C/c3csc(-c4cccc([N+](=O)[O-])c4)n3)C(=O)O2)cc1OC 733088175 XEIGAVCELAJEJJ-MHWRWJLKSA-N 437.433 4.080 5 20 IIBD O=C(O[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1cc2cc([N+](=O)[O-])ccc2o1 733449693 KRQZCJCYPRHFSQ-INIZCTEOSA-N 434.326 4.322 5 20 IIBD COc1cc(OCC(=O)OCc2ccc(Cl)cc2Br)ccc1[N+](=O)[O-] 733824413 HPWOEFVGIKGWKV-UHFFFAOYSA-N 430.638 4.142 5 20 IIBD O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 733993539 URXVTXFBQJYOFK-KRWDZBQOSA-N 448.445 4.192 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCc2ccccc2[N+](=O)[O-])cc1 734041755 DBDIVNXHEQCNMH-UHFFFAOYSA-N 426.450 4.061 5 20 IIBD COc1ccc(C2=N/C(=C/c3ccc(-c4c(F)cccc4F)o3)C(=O)O2)cc1[N+](=O)[O-] 734386437 SLAJDFFTAVFKOY-XNTDXEJSSA-N 426.331 4.486 5 20 IIBD Cc1ccc(C[C@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccn2)cc1 734682526 BWOVVUOZGBMNOZ-DEOSSOPVSA-N 445.523 4.114 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1occc1CN1C(=O)Cc2ccccc21 734975078 MJZVLPBHWZHPIN-UHFFFAOYSA-N 426.812 4.288 5 20 IIBD CCc1nc(COC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cs1 736015410 ZTESWBLYZLAESP-UHFFFAOYSA-N 427.269 4.463 5 20 IIBD Cc1ccc(Nc2cccc(C(=O)O[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c2)nn1 736875540 FWKWWEVKNBDFBT-CQSZACIVSA-N 446.423 4.405 5 20 IIBD COc1cc(N2CCC(OC(=O)Cc3cccc(C(F)(F)F)c3)CC2)ccc1[N+](=O)[O-] 739383675 AYBZMDQAEUGQEH-UHFFFAOYSA-N 438.402 4.377 5 20 IIBD Cc1cc(SC(C)(C)C)ccc1NC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C 740743464 OSAXLOZIVVVOBJ-UHFFFAOYSA-N 437.543 4.002 5 20 IIBD COCc1cc([N+](=O)[O-])ccc1N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 741751263 HIWHJINHBHNNEC-UHFFFAOYSA-N 431.798 4.488 5 20 IIBD COc1cc(C(=O)O[C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)c([N+](=O)[O-])cc1OC 741820745 UBMZLNKEEVIBSY-NSHDSACASA-N 447.831 4.157 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 742565984 QZBAWTWHXOAQBG-FOIQADDNSA-N 443.500 4.122 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 742626362 WGZSUBXFYRMQBN-FQEVSTJZSA-N 447.532 4.073 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1cc(Br)cc(C(F)(F)F)c1 742770642 XJKZPBGIEFZAOX-UHFFFAOYSA-N 443.179 4.365 5 20 IIBD COc1cc(CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)ccc1OC(C)C 743536781 ORQMTVCYSHAJGT-UHFFFAOYSA-N 443.500 4.144 5 20 IIBD CC/C(=C\C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccc(C)cc1 745124759 FSHGQYUHIALMRS-LFIBNONCSA-N 440.452 4.040 5 20 IIBD CC(C)C(=O)Nc1ccc(Cl)c(C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 745187053 UXSABVDNECTWFY-UHFFFAOYSA-N 444.831 4.250 5 20 IIBD C[C@H](OC(=O)c1cc2cc(C(F)(F)F)ccc2n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 745631294 YFLQAQARRSNHKM-NSHDSACASA-N 435.358 4.289 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc(OCc3cccnc3)cc2)cccc1[N+](=O)[O-] 746954551 PYLIVQVSEWDLMS-MRXNPFEDSA-N 435.436 4.061 5 20 IIBD Cc1c(CC(=O)OCc2nnc(-c3ccc(Br)s3)o2)cccc1[N+](=O)[O-] 748473265 ATBAZSUTIJYYKE-UHFFFAOYSA-N 438.259 4.063 5 20 IIBD COC(=O)c1ccc(-c2nc(COC(=O)Cc3cccc([N+](=O)[O-])c3C)cs2)cc1 748475879 HWQBLWYYLRKEPK-UHFFFAOYSA-N 426.450 4.099 5 20 IIBD CC(C)CCN1CCC(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)CC1 749435123 HBOYVLMELMBHHZ-UHFFFAOYSA-N 446.773 4.499 5 20 IIBD O=C(NC[C@H](c1ccco1)N1CCCC1)c1cc(Br)cc([N+](=O)[O-])c1Cl 750827882 DEBCJDDFFLYGRC-CQSZACIVSA-N 442.697 4.171 5 20 IIBD COc1cccc([C@@H](C)CC(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 753541463 XWFRRURNKBSRFJ-LBPRGKRZSA-N 440.374 4.298 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N(Cc2ccccc2)C[C@@H](O)c2ccco2)c1Br 754058711 DIIPCRCUEZQFJX-MRXNPFEDSA-N 432.274 4.394 5 20 IIBD CN1C(=O)C[C@@H](COC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]1c1cccc(Cl)c1 759367199 XSMLRDNGOYHGMJ-NYHFZMIOSA-N 441.871 4.035 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2NC(=O)c2cccs2)c1F 760356593 NJHPKDJPUVAHMN-UHFFFAOYSA-N 435.458 4.157 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F 762996957 GBMJITRRFLYJSF-UHFFFAOYSA-N 438.839 4.164 5 20 IIBD CN1CC[C@@H](CNC(=O)c2cc(F)c([N+](=O)[O-])cc2F)[C@H]1c1ccc(Cl)c(F)c1 763221817 MGSQESBNHILNGH-BBATYDOGSA-N 427.810 4.088 5 20 IIBD CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 763720853 OEBJMROMPXSVFP-NSHDSACASA-N 430.800 4.381 5 20 IIBD COc1ccc(Cn2ncc(C)c2NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cc1OC 764208896 HSGXKPNUXQTBAO-UHFFFAOYSA-N 430.848 4.071 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1)c1cccc([N+](=O)[O-])c1 764256521 YNRWEQBOIFEIJN-GFCCVEGCSA-N 442.269 4.326 5 20 IIBD O=C(Nc1cccc(COC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1)c1ccccc1 764615449 XNMUOXRTIDUEIW-UHFFFAOYSA-N 442.431 4.390 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OC1CCN(c2nncc3ccccc23)CC1 765610173 GVUYUHZPBIKMDY-GOSISDBHSA-N 434.496 4.319 5 20 IIBD O=C(O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1ccn(-c2ccc(F)cc2F)n1 766606722 QAPNYYUDEFILGP-OAQYLSRUSA-N 436.374 4.400 5 20 IIBD COC(=O)[C@@]1(F)CCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 768217270 LLWTZQAKDQYKRC-LJQANCHMSA-N 438.864 4.127 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 768322001 KVVWLZKREFLIGV-GFCCVEGCSA-N 441.793 4.222 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Br)OC(C)C 770081458 PJUSZDJNKIROEX-GOSISDBHSA-N 437.290 4.262 5 20 IIBD Cc1cc2c(N3CCC[C@H]3C(=O)OCc3cc(Cl)ccc3[N+](=O)[O-])ncnc2s1 770180631 QJHALRUUXZFUMV-INIZCTEOSA-N 432.889 4.274 5 20 IIBD C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1Cc1ccc(Br)c([N+](=O)[O-])c1 770386254 MECPGQFGXQPHEO-TZMCWYRMSA-N 428.327 4.092 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)CC2 774218616 MCJMDGCSQNQFII-QGZVFWFLSA-N 448.306 4.404 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCc2ccc(OCC(F)(F)F)nc2)cc1SC 775038081 JWEOVAWSJAUWDJ-UHFFFAOYSA-N 432.376 4.018 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cc1OC 775091403 PPNRQSYVSLQXOE-ZDUSSCGKSA-N 448.497 4.297 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)CC1 775110642 JGTVPWIVMPKZQD-UHFFFAOYSA-N 434.493 4.116 5 20 IIBD C[C@@H](OC(=O)c1ccc(-c2csc(N)n2)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 775878726 KTVRWHLBFOAQNX-LLVKDONJSA-N 437.437 4.269 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)C[C@H](C)C(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 777215457 JIZNJCDVMCNXKA-GXTWGEPZSA-N 432.860 4.336 5 20 IIBD COCCN(C(=O)c1cc(C)nc(Cl)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 777412294 BVUWNULNRUHAEA-UHFFFAOYSA-N 432.889 4.368 5 20 IIBD CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccc([N+](=O)[O-])cc2F)NC(=S)N1C 777943587 YHYPJSGQSOXDEF-IBGZPJMESA-N 428.489 4.124 5 20 IIBD C[C@](O)(CCNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1ccccc1 778008150 MFULFFWGBJEVNX-FQEVSTJZSA-N 449.294 4.115 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(-c3ccccc3)nc2)c(Br)c1 778042407 UPBHWXOUKFXCMP-UHFFFAOYSA-N 435.255 4.187 5 20 IIBD CNS(=O)(=O)c1ccc(Cl)c(C(=O)O[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1Cl 778814170 DKFZXGFEMVOQRD-JTQLQIEISA-N 447.296 4.036 5 20 IIBD C[C@H](OC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)ccc2n1C 781714259 ZQLUUFOOEHEQFK-NSHDSACASA-N 432.820 4.280 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781755872 FPTSSFXJKIYTDI-IBGZPJMESA-N 440.456 4.382 5 20 IIBD COC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1F 782907083 QVJRVYBXLOIBNF-VIFPVBQESA-N 444.341 4.370 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N[C@H](c1ccccc1)c1cccc(F)c1 783330055 JXKYDVJQHNJPAE-LJQANCHMSA-N 427.819 4.232 5 20 IIBD CN(C(=O)CSc1ccccc1[N+](=O)[O-])c1nc(-c2ccccc2[N+](=O)[O-])cs1 784108113 YTGYBOWBXYJVBP-UHFFFAOYSA-N 430.467 4.382 5 20 IIBD CCC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br 784705414 YGTPEZXZDUERMU-OCCSQVGLSA-N 426.311 4.079 5 20 IIBD C[C@H]1C[C@@H](C)CN(C(=O)[C@@H](C)OC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 784838458 QYJBZOVCJUENLD-HZSPNIEDSA-N 442.462 4.009 5 20 IIBD CN(C)c1cc(F)c(C(=O)N[C@@H](c2ccccc2)c2nc3ccccc3n2C)cc1[N+](=O)[O-] 791333811 RDXKKUZZZPMPSE-QFIPXVFZSA-N 447.470 4.206 5 20 IIBD COC(=O)c1csc(-c2cccc(CNC(=O)Nc3ccc([N+](=O)[O-])c(Cl)c3)c2)n1 792294132 DKBGNCIYTRLYOL-UHFFFAOYSA-N 446.872 4.480 5 20 IIBD O=C(NC[C@H]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1)OCc1ccccc1 794029032 BGTYBPDDLOQMRS-MRXNPFEDSA-N 431.876 4.027 5 20 IIBD O=C(N[C@H]1CCCc2ccc(F)cc21)c1cc([N+](=O)[O-])ccc1I 794060749 WEFCNXUYJZFSJB-INIZCTEOSA-N 440.212 4.146 5 20 IIBD O=[N+]([O-])c1ccc2oc(=S)n(CN3CCCC[C@@H]3c3nnc(C4CCOCC4)o3)c2c1 795667559 PCCGICBRFWGEPP-OAHLLOKOSA-N 445.501 4.334 5 20 IIBD COC(=O)/C=C\c1ccc(OC)c(OC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 797316598 UCIXSIFAYWKPCU-YWEYNIOJSA-N 425.315 4.028 5 20 IIBD CCN(C(=O)C(=O)Nc1c(F)ccc([N+](=O)[O-])c1C)[C@@H](Cc1ccc(F)cc1)C(C)C 800631653 GZNAWZUCAKSEOD-IBGZPJMESA-N 433.455 4.236 5 20 IIBD C[C@@H](c1ccc(F)cc1)N(C)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 801740978 RUMGKCIHWRRCQH-INIZCTEOSA-N 443.475 4.101 5 20 IIBD CC(=O)Nc1cccc(Nc2nnc(Sc3c([N+](=O)[O-])cccc3[N+](=O)[O-])s2)c1 804343243 YREJONVEHNIUDX-UHFFFAOYSA-N 432.443 4.208 5 20 IIBD O=[N+]([O-])c1ccc(Br)c(OS(=O)(=O)c2c(Cl)ccc(F)c2F)c1 805074620 LPJDWLFEYOIIFV-UHFFFAOYSA-N 428.594 4.057 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCO[C@@H](c3ccccc3)C2)c(Cl)cc1Cl 809815847 UMSCHVRCXHGDQL-MRXNPFEDSA-N 431.297 4.054 5 20 IIBD COC(=O)C[C@](C)(NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1cccc(OC)c1 813202467 FCGSBZRQZOAJCW-IBGZPJMESA-N 441.267 4.119 5 20 IIBD CC(C)(C)OC(=O)N1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c2ccccc21 813280596 YDYXLWBABQIGBY-UHFFFAOYSA-N 449.467 4.182 5 20 IIBD CC(C)(C)OC(=O)N1CCC(C(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 815181973 LGFVQIYXAOFMMP-UHFFFAOYSA-N 432.395 4.304 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 816821702 JPUWBJWHRMCFRH-UHFFFAOYSA-N 427.810 4.225 5 20 IIBD Cc1ccc(-n2ncc(C(=O)O[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2C)cc1 900654070 WYWILQVBQCRNKQ-AWEZNQCLSA-N 442.859 4.235 5 20 IIBD COc1cc(-c2noc(-c3ccn(-c4ccc([N+](=O)[O-])cc4F)n3)n2)cc(Cl)c1OC 904408091 UGZMJCLHKRQIDS-UHFFFAOYSA-N 445.794 4.307 5 20 IIBD COc1cc(CCNc2nn3cc(-c4ccccc4)nc3s2)c([N+](=O)[O-])cc1OC 912506758 BMQCIGWYJBCVQS-UHFFFAOYSA-N 425.470 4.038 5 20 IIBD Cc1ccccc1-n1ncc(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1C 914941794 ZJPSVAQIAZJFIG-OAHLLOKOSA-N 433.424 4.365 5 20 IIBD CC(C)CNC(=O)c1ccccc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 915832110 UODMDOKALTYFJQ-UHFFFAOYSA-N 439.390 4.174 5 20 IIBD CCCCN1C(=O)C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H]1c1ccc(OC)cc1 916756872 GEUKKCVCNPORLG-LAUBAEHRSA-N 429.448 4.071 5 20 IIBD O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 917497866 FKSGOIJLZVWGQF-UHFFFAOYSA-N 426.864 4.072 5 20 IIBD CCc1ccc(C(=O)Nc2sccc2C(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc1 918208420 GIJKTYXDSHTXHH-UHFFFAOYSA-N 438.509 4.313 5 20 IIBD C[C@@H](OC(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 919443378 OHGAKKILDRQDPE-GHMZBOCLSA-N 427.240 4.239 5 20 IIBD O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCC1(c2ccc(Cl)cc2)CCOCC1 919964685 BZHRUMAEZVGPSK-UHFFFAOYSA-N 429.904 4.301 5 20 IIBD O=C(Oc1ccc2ccc(C(F)(F)F)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 920795513 NUTCAZXPEMIVGT-UHFFFAOYSA-N 447.369 4.218 5 20 IIBD COC(=O)[C@@](C)(NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 1318642071 ZUIFVUQMIOLFJM-DEOSSOPVSA-N 433.464 4.025 5 20 IIBD Cc1c(Br)cc(C(=O)OCc2ccc(C(=O)N3CCCC3)cc2)cc1[N+](=O)[O-] 1319671386 HOQLQNHDZDPORM-UHFFFAOYSA-N 447.285 4.259 5 20 IIBD Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1320949533 OUCZZDHJNNLTIK-UHFFFAOYSA-N 440.887 4.170 5 20 IIBD CSc1cccc(C(=O)NCc2ccccc2CNC(=O)OC(C)(C)C)c1[N+](=O)[O-] 1325834767 MAYGPILCVWQTQG-UHFFFAOYSA-N 431.514 4.271 5 20 IIBD CC(=O)CCC(=O)NC1(c2ccc(NC(=O)CCc3cccc([N+](=O)[O-])c3)cc2)CCC1 1786602663 ZQRQIGBLWKMSJE-UHFFFAOYSA-N 437.496 4.031 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1)c1ccc(Cl)cn1 1789733535 HPMVZWYLKVMLMO-UHFFFAOYSA-N 439.859 4.033 5 20 IIBD O=C(NC1(c2ccc(NC(=O)C(F)(F)c3ccco3)cc2)CCC1)c1ccc([N+](=O)[O-])o1 1791076676 CICLDBATWHGUPL-UHFFFAOYSA-N 445.378 4.321 5 20 IIBD C[C@@]1(C(=O)Nc2ccc(C3(NC(=O)c4cc(O)cc([N+](=O)[O-])c4)CCC3)cc2)CC1(F)F 1792248874 ZLISRKFOCFXLCG-FQEVSTJZSA-N 445.422 4.093 5 20 IIBD Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C3)ccc1F 1800452931 FINGGBVWLQKAMF-LDEDEHCMSA-N 437.471 4.008 5 20 IIBD Cc1ccc(C)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C3)c1 1803539051 QPKMOYAPNUPLDC-WKCHPHFGSA-N 435.524 4.096 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCC2(CCCN(C(=O)C3CCCC3)C2)CC1 1808928353 RDVORTOEHOKCDP-UHFFFAOYSA-N 431.508 4.077 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)C(F)F)[nH]n1)c1cc2cc([N+](=O)[O-])ccc2s1 1821609879 OEPKKALWNLHKJE-ZDUSSCGKSA-N 449.439 4.104 5 20 IIBD Cc1ccoc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830618175 ZNUGUCQYMJKKQG-FQEVSTJZSA-N 443.475 4.182 5 20 IIBD COc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCC(C)C)CC2)ccc1[N+](=O)[O-] 1831384700 IXGDUTUGNLTZCB-HXUWFJFHSA-N 445.560 4.273 5 20 IIBD Cc1nn(CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)c(C)c1[N+](=O)[O-] 8986629 PSRRZEUFUMUIIE-QGZVFWFLSA-N 427.848 4.032 5 20 IIBD C[C@@H](OC(=O)c1ccccc1CSC1=NCCS1)C(=O)Nc1ccccc1[N+](=O)[O-] 9556492 LSIVJGJZVDGGKS-CYBMUJFWSA-N 445.522 4.115 5 20 IIBD O=C(COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(Br)cc1Cl 9684243 JQCIOOPXKKITEZ-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c2cnn(C(C)C)c2n1 10208625 ZEHQDPHVTKTEBN-ZDUSSCGKSA-N 436.428 4.197 5 20 IIBD O=C(COC(=O)c1cccc(C(F)(F)F)c1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 10745140 OKFMIGVXVHMZEO-UHFFFAOYSA-N 436.264 4.428 5 20 IIBD C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(Br)cc1 15621219 QQRGQLZGDKGIRR-CQSZACIVSA-N 432.318 4.451 5 20 IIBD COc1cc(CCNC(=O)c2sc(C)nc2-c2ccccc2)c([N+](=O)[O-])cc1OC 16143951 MCVMYGIZBQQSAD-UHFFFAOYSA-N 427.482 4.016 5 20 IIBD C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 17273358 RIMZGGNDHHURKL-GFCCVEGCSA-N 429.527 4.293 5 20 IIBD CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(SC)c([N+](=O)[O-])c1 17915284 SULNFAOKSFJOQJ-UHFFFAOYSA-N 441.431 4.225 5 20 IIBD Cc1ccc([C@H](NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c2ccccc2)cc1 18086792 LQVSVLWNPWIRHL-XMMPIXPASA-N 445.475 4.497 5 20 IIBD COc1ccc(C[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])c2ccc(OC)cc2)cc1 18109873 KHDDDVSPTLJLMH-OAQYLSRUSA-N 436.464 4.091 5 20 IIBD NC(=O)c1ccc(CN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C2CC2)cc1 31175577 FCUCICLEDPKVPN-UHFFFAOYSA-N 430.464 4.242 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NC[C@H]3CCCN(C(C)C)C3)cc2[N+](=O)[O-])n1 63710641 NTEDTSLEKXZZAH-OAHLLOKOSA-N 434.587 4.361 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCCN(CC(F)(F)F)CC2)cc1[N+](=O)[O-] 63736618 XAPWELRQHDSXGX-UHFFFAOYSA-N 433.496 4.443 5 20 IIBD CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 63765336 GZMMGJHJAMDFHQ-UHFFFAOYSA-N 431.283 4.016 5 20 IIBD O=C(NCC1CCN(Cc2cccs2)CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 65129382 PEYPNGMWBAMXJI-UHFFFAOYSA-N 442.566 4.422 5 20 IIBD O=C([C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)N1CCc2ccc([N+](=O)[O-])cc21 71881082 UOIFVDOVZCFDDT-QGZVFWFLSA-N 434.279 4.096 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2ccc(Cl)c([N+](=O)[O-])c2)cc1 104907944 BLJFKANRHLVYPM-CQSZACIVSA-N 425.938 4.130 5 20 IIBD CN(Cc1ccncc1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 248072418 BCTZYVPDVBOAKE-UHFFFAOYSA-N 427.464 4.044 5 20 IIBD O=C(c1ccc(Cl)cc1)N1CCCN(c2ccc([N+](=O)[O-])cc2Br)CC1 301363254 MQJKXVDNWPKFBP-UHFFFAOYSA-N 438.709 4.363 5 20 IIBD Cc1cccc([C@H]2CCCN2c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])n1 301715993 MWBJYOFSJGUAMK-HXUWFJFHSA-N 444.557 4.204 5 20 IIBD CC(C)[C@H](Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])c1nc(-c2nnc[nH]2)no1 301769065 CQVZERUDZBIERZ-NSHDSACASA-N 431.762 4.244 5 20 IIBD C[C@H]1C[C@H](C)CN(Cc2ccccc2CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 301865486 FWIUBIJRSHYHCX-IRXDYDNUSA-N 431.558 4.088 5 20 IIBD CC1CCC(NS(=O)(=O)c2ccc(N3CCC[C@H]3c3ccncc3)c([N+](=O)[O-])c2)CC1 301917148 JIWAXANPLIGOQA-NLPFYKDJSA-N 444.557 4.188 5 20 IIBD O=C(Nc1ccc2c(c1)OCO2)C1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 302040665 RJUSDZCXTJBNHM-UHFFFAOYSA-N 438.267 4.485 5 20 IIBD CC(=O)c1ccc(Oc2ccc(I)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 302381635 DOVKJBSHABCKIC-UHFFFAOYSA-N 428.138 4.103 5 20 IIBD CC[C@@H]1c2ccsc2CCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 303223183 VMRTZLYBVZZZPF-GFCCVEGCSA-N 431.333 4.117 5 20 IIBD O=C(NCC(c1ccccc1)c1ccccc1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303537457 TUIJDGHJWFQJJE-HXUWFJFHSA-N 449.532 4.209 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 303635122 GMQXQDIAVWGWLD-UONOGXRCSA-N 437.468 4.072 5 20 IIBD Cc1ccc(-c2noc(CCC(=O)NCCCCc3ccc([N+](=O)[O-])cc3)n2)cc1F 303813995 OCZJMEZZWBHSFO-UHFFFAOYSA-N 426.448 4.164 5 20 IIBD Cc1cc(C)n(-c2ccc(CNC(=O)Cc3cccc([N+](=O)[O-])c3)c(C(F)(F)F)c2)n1 304078721 VMOUJTXOUJQNKZ-UHFFFAOYSA-N 432.402 4.275 5 20 IIBD CCN(Cc1ccc(OC)cc1OC)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 426279393 YKJPNDRXZNBRJQ-UHFFFAOYSA-N 441.406 4.363 5 20 IIBD O=C(O)[C@@H](Cc1ccccc1)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 426691671 KFUVDKQVDJMWAI-GOSISDBHSA-N 445.269 4.403 5 20 IIBD Cn1cc(CN(Cc2ccc(Cl)cc2)C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cn1 431225339 NMSIRAVOXNPSGO-UHFFFAOYSA-N 437.887 4.165 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(CCc2ccccn2)Cc2cccnc2)cc1SC 431308733 MFMLGGCMFLSFJW-UHFFFAOYSA-N 438.509 4.000 5 20 IIBD Cc1cc(NC(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)n(-c2ccc([N+](=O)[O-])cc2)n1 432208129 MNCSTAJIURTXDX-UHFFFAOYSA-N 441.447 4.338 5 20 IIBD O=C(Nc1ccc(OC2CCCC2)nc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 438115344 HKRLESCZCUODTL-UHFFFAOYSA-N 426.473 4.387 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)c(F)c1 438935738 JKRZKASDLBIODC-CQSZACIVSA-N 429.231 4.383 5 20 IIBD C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccc(OC(F)F)cc1 445688301 CVRWXZMUYTZKIQ-JTQLQIEISA-N 429.217 4.379 5 20 IIBD CSc1ccc(C(=O)N2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)cc1[N+](=O)[O-] 446630568 ZPXUSFHCAGVIMU-INIZCTEOSA-N 439.493 4.098 5 20 IIBD Cc1c(C(=O)N[C@@H](c2ccccc2)c2cccc(F)c2)nnn1-c1cccc([N+](=O)[O-])c1 446634357 LMAXQAZFULGQKK-QFIPXVFZSA-N 431.427 4.142 5 20 IIBD COCCN([C@H](C)c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 447020342 HMHUMBXVYWIGFN-CYBMUJFWSA-N 432.420 4.012 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC(Nc2cccc(Br)c2)CC1 447695849 YYNVYJKZFHTNCO-UHFFFAOYSA-N 447.333 4.262 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 448286051 STWTWWOHHSCKTH-AWEZNQCLSA-N 447.944 4.150 5 20 IIBD CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 460458969 ITGRAHHSQZPIDX-NRFANRHFSA-N 437.883 4.252 5 20 IIBD C[C@@H]1C[C@H](c2cccc(F)c2)N(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 462729405 PMGOPJOKGFTFJO-PIGZYNQJSA-N 443.294 4.268 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 462768360 VFQKOEOKAAXMON-SFYKDHMMSA-N 439.556 4.089 5 20 IIBD C[C@@H](CN1CCCC1=O)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 466215645 LDQTXEXNNZXVCN-ZDUSSCGKSA-N 433.917 4.140 5 20 IIBD Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 467704360 JDCNBIGRAMGIAS-UHFFFAOYSA-N 427.354 4.177 5 20 IIBD CCOC(=O)c1cc(NCC2(N[C@H](C)c3ccccc3)CCOCC2)ccc1[N+](=O)[O-] 467767171 DNKNUZRPWBXOOH-QGZVFWFLSA-N 427.501 4.083 5 20 IIBD Cc1cccc(COc2ccc(CNc3ccc([N+](=O)[O-])cc3S(C)(=O)=O)cc2)c1 468694681 AVBWCHIBRFJAOZ-UHFFFAOYSA-N 426.494 4.498 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(OCc2ccccc2)cc1C 469554849 UEDVXZGRQRKSGY-IBGZPJMESA-N 437.500 4.353 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[C@H](C)c1cccc(C(F)(F)F)c1 470013529 PFCMEPMCHHRSIY-KBPBESRZSA-N 437.418 4.042 5 20 IIBD CCC[C@@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 470126868 VHANSRBFWVLKFQ-HXUWFJFHSA-N 443.479 4.263 5 20 IIBD C[C@H](CCN1CCN(C)CC1)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 472138702 QNERASMWAHFWAH-QGZVFWFLSA-N 432.952 4.156 5 20 IIBD COc1ccccc1CN(Cc1cccs1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] 472577083 JKQNHZMDPDZLHC-UHFFFAOYSA-N 432.523 4.197 5 20 IIBD COC(=O)COc1ccc(CN[C@H](c2cccc(Cl)c2)c2ccccn2)cc1[N+](=O)[O-] 474368823 IARZPYDFCYSOEV-JOCHJYFZSA-N 441.871 4.074 5 20 IIBD CCCN([C@@H](C)c1cc2ccccc2o1)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 476960802 XLMDVQDKDNDINT-AWEZNQCLSA-N 446.481 4.274 5 20 IIBD Cc1c(CNC(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)cccc1[N+](=O)[O-] 480063819 UWSDNZWYRFGJAQ-UHFFFAOYSA-N 432.480 4.197 5 20 IIBD COC(=O)c1csc(-c2cccc(CNC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c2)n1 481641407 GLDVCTUBYCSCRL-UHFFFAOYSA-N 437.433 4.181 5 20 IIBD Cc1cccc(OC(F)F)c1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 481972588 WZKASLOWVGARTN-UHFFFAOYSA-N 437.218 4.068 5 20 IIBD COCCN(C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)[C@H]1CC[C@H](C)C1 482673335 OIHNIEUYRVUAOX-SCTDSRPQSA-N 426.517 4.440 5 20 IIBD Cn1cnnc1-c1cccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 483229899 ZMTRNADRAFYQIC-UHFFFAOYSA-N 437.403 4.140 5 20 IIBD CSCCc1ccc(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 485124364 UULINJQRNLFWJA-UHFFFAOYSA-N 431.333 4.064 5 20 IIBD O=C(c1ccc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1)N1CCCCC1 485227539 AGJZKUGSCYKTCB-UHFFFAOYSA-N 436.512 4.095 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@H](c1ccc2c(c1)OCCO2)C1CC1 486341939 FSYPFPYKIAUDAW-FQEVSTJZSA-N 431.876 4.012 5 20 IIBD CC[C@H](NC(=O)c1cccc(SC)c1[N+](=O)[O-])[C@H](c1ccc(C)cc1)n1cncn1 486409853 QFCKIUVTXVLJNR-HKUYNNGSSA-N 425.514 4.015 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(C(=O)C(C)(C)C)cc2)ccc1[N+](=O)[O-] 487910049 KUELPJOFAKYKOF-HXUWFJFHSA-N 437.496 4.375 5 20 IIBD C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 488865263 XIEAMHVZFQKXCE-QGZVFWFLSA-N 447.601 4.202 5 20 IIBD C[C@H](NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cc2ccccc2o1 488917554 KKCOUNWGHMLYGG-JTQLQIEISA-N 425.260 4.143 5 20 IIBD O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 489153933 GVCQSZWGFOIQSI-UHFFFAOYSA-N 426.845 4.205 5 20 IIBD O=C(N[C@H]1CS(=O)(=O)c2ccccc21)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 489194294 HEXAIBRONVPNEG-SFHVURJKSA-N 440.502 4.004 5 20 IIBD CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 489450620 PTFSTZGQVWGWTP-HNNXBMFYSA-N 441.513 4.213 5 20 IIBD COc1cc([C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2C)C(F)(F)F)cc(OC)c1OC 491328119 DTGGPICLCKGTJU-KRWDZBQOSA-N 443.378 4.354 5 20 IIBD Cc1ccc([C@H](C)NC(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc1[N+](=O)[O-] 493033280 MMJRDZPEEUDUSP-AWEZNQCLSA-N 441.513 4.232 5 20 IIBD CC(C)Cc1ccc([C@@H](NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C2CC2)cc1 494913622 ZIBSVAVUSOBQCQ-JOCHJYFZSA-N 425.533 4.488 5 20 IIBD CN(C[C@@H]1CCOC1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 494959838 NOKPKCHSMNFCEO-LIRRHRJNSA-N 448.317 4.005 5 20 IIBD COC(=O)c1cccc(NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1Br 495046333 GICOMVPCPUFMTN-NSHDSACASA-N 436.262 4.335 5 20 IIBD Cc1c(NC(=O)N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn34)C2)cccc1[N+](=O)[O-] 495129076 OYUNTEKSRVCEDX-ZDUSSCGKSA-N 448.405 4.376 5 20 IIBD COc1ccc(-c2ccc(CNC(=O)c3cc([N+](=O)[O-])ccc3SCCO)s2)cc1 497749610 ZCVXQVJVGATZBX-UHFFFAOYSA-N 444.534 4.346 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)cc1[N+](=O)[O-] 498231494 LLROPFSYGPWOFP-IFXJQAMLSA-N 435.427 4.349 5 20 IIBD O=C(c1ccccc1[N+](=O)[O-])N(CCO)Cc1cccc(OCc2ccccc2Cl)c1 500458329 UPTAZXISADOHRS-UHFFFAOYSA-N 440.883 4.462 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C)SCC(=O)Nc1ccc(F)cc1 502013689 KBKHDQSHJSZJDP-HNNXBMFYSA-N 433.505 4.231 5 20 IIBD O=c1c([N+](=O)[O-])cc(Br)cn1CCCCOc1ccccc1C(F)(F)F 502126290 JKNVSIWUPAKQCT-UHFFFAOYSA-N 435.196 4.397 5 20 IIBD Cc1c(C(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)cccc1[N+](=O)[O-] 505002709 LGQUDSWYELVGSI-UHFFFAOYSA-N 446.301 4.157 5 20 IIBD Cc1cc(Cl)c(NC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cc1Cl 507969294 ROQIRGXROYTHNR-UHFFFAOYSA-N 433.251 4.317 5 20 IIBD COc1ccc2[nH]cc(C3CCN(S(=O)(=O)c4ccc(Cl)cc4[N+](=O)[O-])CC3)c2c1 511906720 KFKPFHTUVRNECH-UHFFFAOYSA-N 449.916 4.306 5 20 IIBD CCOC(=O)CN(CC)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 515728202 NYMVZRYALXXHAZ-UHFFFAOYSA-N 436.848 4.074 5 20 IIBD COc1cc(CCNC(=O)c2ccccc2N(C)c2ccccc2)c([N+](=O)[O-])cc1OC 515749964 HEALKNDSCAFMIL-UHFFFAOYSA-N 435.480 4.352 5 20 IIBD CSc1ccc(C(=O)N2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)cc1[N+](=O)[O-] 516639894 ZQRIJJKJORQHNE-MRXNPFEDSA-N 442.415 4.429 5 20 IIBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1nc2ccccc2cc1Br 516677940 YQPFXYXXKWPDOF-UHFFFAOYSA-N 444.241 4.319 5 20 IIBD O=C(c1ccn(-c2ccc(Cl)c(Cl)c2)n1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 517345357 HTJRMWZSZFFJIC-UHFFFAOYSA-N 446.294 4.050 5 20 IIBD C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 519148834 ZACCKHPNVCEWJP-QLJPJBMISA-N 443.344 4.119 5 20 IIBD O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c1 520227106 FJIPLQJESPJGGZ-UHFFFAOYSA-N 443.423 4.072 5 20 IIBD COc1ccccc1[C@H](NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1ccccc1 520395322 IAQDAIATISXHOA-HSZRJFAPSA-N 429.432 4.377 5 20 IIBD COc1cc(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)cn2)ccc1[N+](=O)[O-] 520860607 ITDBWCSDAMMBBT-UHFFFAOYSA-N 436.449 4.293 5 20 IIBD C[C@@H]1CCCN(Cc2ccccc2CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 520867705 JTVXIQGGDNTRTN-GOSISDBHSA-N 447.539 4.403 5 20 IIBD CCN(C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H](C)c1cc2ccccc2o1 521723052 LYXRPHHCSDESGT-ZDUSSCGKSA-N 429.860 4.334 5 20 IIBD CC(C)(C(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1)n1cc([N+](=O)[O-])cn1 522534044 PWCPRKQGORDQSW-UHFFFAOYSA-N 442.863 4.463 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCSC[C@@H]1c1ccc(Cl)cc1 522541927 CXCPZJFPVNEJJX-LJQANCHMSA-N 428.901 4.364 5 20 IIBD Cc1nc(NC(=O)c2ccc(C(=O)Nc3nc(C)c(C)s3)c([N+](=O)[O-])c2)sc1C 524352905 APPYUXFHZXBZRQ-UHFFFAOYSA-N 431.499 4.246 5 20 IIBD CC(C)n1c([C@H]2CCCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C2)nc2ccccc21 530673745 XTKAFLLANJYRRA-INIZCTEOSA-N 428.514 4.094 5 20 IIBD CC(=O)N1CC[C@@H](NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c2ccccc21 534573607 RVCGAFDVWPDQAD-OAQYLSRUSA-N 444.491 4.435 5 20 IIBD C[C@@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1cccc(C(=O)c2ccccc2)c1 536394482 IWYFIOISYLIJNC-UTKZUKDTSA-N 444.491 4.037 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@@H]3CCO[C@H]3c3ccc(F)c(F)c3)cc2[N+](=O)[O-])CC1 537237682 NCQBMAAMMNBLDQ-KNQAVFIVSA-N 445.466 4.369 5 20 IIBD O=C(CCCc1nc(-c2ccc(F)cc2)no1)NCCc1ccc(Cl)cc1[N+](=O)[O-] 538694891 KZKCKNZDHDWSTA-UHFFFAOYSA-N 432.839 4.119 5 20 IIBD CC(=O)c1cccc(OCc2cc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)no2)c1 538847216 ZHPFJHJVWMGNNJ-UHFFFAOYSA-N 437.452 4.415 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1 540783923 MULJJUMOVZRKSD-UHFFFAOYSA-N 446.529 4.274 5 20 IIBD CC(C)N1CCc2nc(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])sc2C1 541274048 UPFZRKVZBVCZHS-UHFFFAOYSA-N 444.435 4.011 5 20 IIBD C[C@H](C(=O)Nc1cnn(-c2ccccc2Br)c1)c1ccc([N+](=O)[O-])cc1F 541601334 YZGDCDXQEUJDES-NSHDSACASA-N 433.237 4.424 5 20 IIBD O=[N+]([O-])c1cc(Cl)c2c(cnn2Cc2nc(Cc3cccc(Br)c3)no2)c1 541780800 SLXRKBUWIPIWDX-UHFFFAOYSA-N 448.664 4.383 5 20 IIBD COc1ccc(NC(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 543885078 QPHUWJVHIFWOLU-UHFFFAOYSA-N 427.244 4.013 5 20 IIBD COCCOc1ccc(-c2noc(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1F 545007569 DKHBXCVHBRNMNE-UHFFFAOYSA-N 428.420 4.076 5 20 IIBD CCOc1ccc(-c2nc(Cc3ccn(-c4c(F)cccc4F)n3)no2)cc1[N+](=O)[O-] 545118305 FVQCDNDTDZEMCB-UHFFFAOYSA-N 427.367 4.098 5 20 IIBD O=C(NC[C@@H](NCc1ccccc1)c1ccco1)c1cc(Br)cc([N+](=O)[O-])c1 561083387 KDGBTYBBELRCDJ-GOSISDBHSA-N 444.285 4.211 5 20 IIBD O=[N+]([O-])c1cc2c(NCc3cnn(-c4ccc(Br)cc4)c3)ncnc2s1 561326894 SEYOHZLBULHKIP-UHFFFAOYSA-N 431.275 4.160 5 20 IIBD C[C@@H](C(=O)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 562397740 YULJBHMYYOKZOX-KUHUBIRLSA-N 449.429 4.197 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cccc(Cl)c1-n1cncn1 567095039 OBVJZJBHXDVIBD-UHFFFAOYSA-N 436.653 4.152 5 20 IIBD COc1ccc(CC(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)cc1F 567514836 PEPLRHSXZBTHET-UHFFFAOYSA-N 436.399 4.369 5 20 IIBD O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1cc(O)nc2ccc([N+](=O)[O-])cc12 569764021 OQZCWGZABQZVMA-UHFFFAOYSA-N 425.294 4.181 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC(Cc2nc3ccccc3[nH]2)CC1 574421320 HTAGYMNHXUGUAN-UHFFFAOYSA-N 447.539 4.169 5 20 IIBD CC[C@H](C)NC(=O)c1ccc(NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c(C)c1 579769322 NDYZAUGDNUIYGI-HNNXBMFYSA-N 437.500 4.277 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N(CC(=O)O)Cc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] 580689281 MAINZZUFYGGVBP-ZDUSSCGKSA-N 439.390 4.279 5 20 IIBD O=C(NC1(c2cc(C(F)(F)F)ccc2Cl)CC1)c1cc2c(cc1[N+](=O)[O-])OCO2 581524051 OCSJQMGPZKNXAY-UHFFFAOYSA-N 428.750 4.415 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCc4ccccc4CC3)n2C[C@@H]2CCCCO2)c1 581917842 AQXLSLZPPHHFNK-QFIPXVFZSA-N 433.512 4.028 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1ccc(C(F)(F)F)s1)c1ccccc1[N+](=O)[O-] 585857246 RQCPVCPWIQPZFJ-LBPRGKRZSA-N 430.404 4.488 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@](F)(c2cc(F)cc(F)c2)C1 586840757 ZHESBDIMEDAMLY-QGZVFWFLSA-N 429.192 4.346 5 20 IIBD CCOc1cc(NC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OCC 603650819 DEFFQBXDBCHKHK-HXUWFJFHSA-N 433.436 4.137 5 20 IIBD CCc1cc(=N[C@H](c2ccccc2F)c2nccn2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 603937216 OOKYGTGONGBWMI-OAQYLSRUSA-N 432.459 4.110 5 20 IIBD O=C(NC1CCCC1)c1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 603976379 NEFOMPVTJUCINL-UHFFFAOYSA-N 436.512 4.122 5 20 IIBD COc1ccc(CNC(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] 604084917 PUKZKAMODRYIEY-HZPDHXFCSA-N 440.500 4.043 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]1c1cccc2c1OCCO2 608969473 AQLKHRPADISVFU-BBRMVZONSA-N 432.860 4.150 5 20 IIBD CSCCc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 609014590 WFEGFKSHLJLQHB-HXUWFJFHSA-N 427.526 4.052 5 20 IIBD C[C@@H](Nc1ccc(Cc2nnc3ccccn23)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 609543878 ZVHAZOROZPZZND-OAHLLOKOSA-N 441.451 4.451 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)c1 609647161 YGPBMAFKOFKABT-ZDUSSCGKSA-N 425.432 4.344 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCC(=O)N(C)c3ccccc32)cc1[N+](=O)[O-])c1ccccn1 609975907 QOHSDMMSIMCEIT-INIZCTEOSA-N 445.479 4.176 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccccc2CN(C)C(=O)c2cccs2)ccc1[N+](=O)[O-] 609985342 VFRVXOPSHBFPKF-UHFFFAOYSA-N 445.522 4.038 5 20 IIBD Cc1oncc1C(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 610061446 OXEHEICQMSSNDM-UHFFFAOYSA-N 445.229 4.158 5 20 IIBD C[C@@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1cc2c(cc1Br)OCCO2 617703001 USAHYEZZAWJPDK-VXGBXAGGSA-N 435.274 4.109 5 20 IIBD O=[N+]([O-])c1ccc(-c2ncn(CN(CCc3ccccn3)Cc3ccc(F)cc3)n2)cc1 726964635 VXKMEGWOTLWEBV-UHFFFAOYSA-N 432.459 4.090 5 20 IIBD O=C(CCNC(=O)Nc1ccc(Br)cc1)Nc1ccc([N+](=O)[O-])c(Cl)c1 727710584 ZMIPRSSUKRBWEI-UHFFFAOYSA-N 441.669 4.161 5 20 IIBD CC(C)(Oc1ccc(Cl)cc1)C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730708899 SEBIOVHCYATNLS-INIZCTEOSA-N 446.887 4.254 5 20 IIBD Cc1ncccc1C(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 731092648 CALLDYAGSTWYJF-IBGZPJMESA-N 425.828 4.488 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2c(Cl)cc(Br)cc2Cl)cc1 731215705 AHKMOJWBGMUIFP-UHFFFAOYSA-N 427.059 4.432 5 20 IIBD Cc1cc2oc(=O)cc(COC(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)c2cc1C(C)C 731525134 IEQGFKPYYFVEPB-UHFFFAOYSA-N 448.435 4.071 5 20 IIBD CC1=C(C(=O)OC(C)C)[C@H](c2ccc(C)c([N+](=O)[O-])c2)NC(=O)N1Cc1cccs1 732038758 PDVMEKBDDAOICR-IBGZPJMESA-N 429.498 4.457 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OC1CCN(C(=O)c2ccccc2F)CC1 732606235 VOYOCZPQRFZRKP-AWEZNQCLSA-N 432.473 4.063 5 20 IIBD COc1cccc(-c2nc(CS(=O)(=O)Cc3cc([N+](=O)[O-])ccc3Cl)cs2)c1 735562883 OAVZOZQMPMSEOD-UHFFFAOYSA-N 438.914 4.495 5 20 IIBD CC[C@H](OC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccc(F)cc1F 739268372 HXOXVGRSVLWFTA-INIZCTEOSA-N 434.424 4.461 5 20 IIBD CC(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)OCc1ccccc1 739569090 JOWHJCZMRGEFQL-SFHVURJKSA-N 449.301 4.245 5 20 IIBD O=[N+]([O-])c1ccc(CN(C(=S)NCCc2ccc3c(c2)OCCO3)c2ccccc2)cc1 743062172 SYZRVFJGIGAFEE-UHFFFAOYSA-N 449.532 4.490 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1nc(Cc2ccccc2)no1 744553577 DGSLISIEEXPTDZ-MRXNPFEDSA-N 436.468 4.477 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)OCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 745332381 IKIDFOSQZMMRQE-UHFFFAOYSA-N 428.460 4.181 5 20 IIBD O=C(COC(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1)c1ccc([N+](=O)[O-])cc1 745502591 CLEXAZQWPYGHEB-UHFFFAOYSA-N 447.378 4.491 5 20 IIBD COCCN(CC(=O)N(C)C)C(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34 746259368 MEHVHNZBCYPRHN-UHFFFAOYSA-N 444.531 4.110 5 20 IIBD O=C(CCC[S@](=O)c1ccc(Br)cc1)OCc1ccc([N+](=O)[O-])cc1F 746985115 GTLLQQDRRKWSIM-SANMLTNESA-N 444.278 4.128 5 20 IIBD O=C(Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)c1)c1ccncc1 751080211 WTXGBMMQKBCUHJ-UHFFFAOYSA-N 441.241 4.257 5 20 IIBD CCCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H]1CCCN(Cc2ccccc2)C1 751169694 SYRFXJCDCXHQEW-IBGZPJMESA-N 426.473 4.020 5 20 IIBD CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1Cl 751268758 FNSOYSSABUZYHE-UHFFFAOYSA-N 446.312 4.184 5 20 IIBD COc1cc(C(=O)OCc2cc(C)nc(-c3ccc(Cl)cc3)n2)c([N+](=O)[O-])cc1OC 751605470 WDLMFFCNKPWBLF-UHFFFAOYSA-N 443.843 4.388 5 20 IIBD O=C(CN(Cc1ccccc1)C[C@H](O)c1ccsc1)Nc1ccc([N+](=O)[O-])cc1Cl 756904062 UDLLDVXIPJAQJY-FQEVSTJZSA-N 445.928 4.484 5 20 IIBD CC[C@@H]1CN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@@H]1NC(=O)OC(C)(C)C 757107080 INWBKHADFIFPNO-DAYGRLMNSA-N 445.520 4.331 5 20 IIBD COc1ccccc1CN(C[C@H]1CCCO1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 757255692 INYCYIOEEDTAEQ-GOSISDBHSA-N 433.892 4.148 5 20 IIBD Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1N(C)C(=O)c1cccc([N+](=O)[O-])c1 757706224 CDKMMFGDTAKQIP-UHFFFAOYSA-N 434.408 4.340 5 20 IIBD CCn1c(SCC(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)nc2ccccc21 760465073 NOWLLADFTRIWLU-UHFFFAOYSA-N 438.465 4.455 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3cnc([C@@H]4CCCO4)s3)CC2)ccc1[N+](=O)[O-] 760995612 YWZMEVVKQIVCLF-KRWDZBQOSA-N 447.513 4.127 5 20 IIBD CC(C)[C@@H](NC(=O)OC(C)(C)C)c1noc([C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 762023554 GWWCCXDICHWVOU-HZPDHXFCSA-N 431.449 4.065 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@H](C)Sc3ccccn3)CC2)ccc1[N+](=O)[O-] 762089103 LVOLJPMVCAYKMN-HNNXBMFYSA-N 431.514 4.081 5 20 IIBD COc1ccc([C@H]2CCCN2S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)cc1OC 762280000 DEBGONWJJBMCMZ-OAHLLOKOSA-N 440.905 4.100 5 20 IIBD O=C(COC/C=C\c1ccccc1)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 763196725 WBOGSFMLKNMDOF-YVMONPNESA-N 432.432 4.483 5 20 IIBD CN1CC[C@H](CNC(=O)c2cc(F)c([N+](=O)[O-])cc2F)[C@@H]1c1ccc(Cl)c(F)c1 763221821 MGSQESBNHILNGH-ZMZPIMSZSA-N 427.810 4.088 5 20 IIBD O=C(NCc1ccccc1N1CCOCC1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 763984868 YAQTUGGWPXIFNJ-UHFFFAOYSA-N 441.553 4.396 5 20 IIBD C[C@H](NC(=O)N1CCC(O)(c2ccccc2C(F)(F)F)CC1)c1cccc([N+](=O)[O-])c1 765468736 XJQAOFCNGNNHDV-AWEZNQCLSA-N 437.418 4.368 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(N2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1[N+](=O)[O-] 767208702 GCTALNYNBDUBAS-CYBMUJFWSA-N 425.363 4.316 5 20 IIBD O=[N+]([O-])c1cc(CSc2nnc(N3CCCCC3)n2C[C@H]2CCCO2)ccc1Cl 768290497 HYLOTVFSGGVLRM-OAHLLOKOSA-N 437.953 4.301 5 20 IIBD O=C(OCCCOc1ccc2ccccc2c1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 769673333 PREMDNLQUITOFA-UHFFFAOYSA-N 448.431 4.027 5 20 IIBD COc1cccc([C@@H](O)CN(Cc2ccccc2)Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 769733224 KYWUXUOTCLDXCS-QHCPKHFHSA-N 432.480 4.216 5 20 IIBD Cc1cscc1-c1noc(-c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)n1 771523655 CQQRMRVQDXXUHB-UHFFFAOYSA-N 443.462 4.449 5 20 IIBD COCCc1nc(C)c([C@@H](C)OC(=O)c2ccc(Br)cc2[N+](=O)[O-])s1 773914051 KZFNEEKCMSJNIL-SNVBAGLBSA-N 429.292 4.229 5 20 IIBD O=C(c1cc2cccc(Cl)c2o1)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 773985094 ULOUMHDDWYPUKW-UHFFFAOYSA-N 439.859 4.223 5 20 IIBD CSc1cccc(C(=O)Nc2ccc(N3CCC(CN(C)C)CC3)cc2)c1[N+](=O)[O-] 776846325 KWAYOVWGPSTGOS-UHFFFAOYSA-N 428.558 4.347 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCSc2nnc(-c3cccc4ccccc34)o2)cc1 783907951 XOJNFUBEKLPMGQ-UHFFFAOYSA-N 441.490 4.364 5 20 IIBD CC(C)c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] 784257585 FLURRJRGJUKEAL-CQSZACIVSA-N 428.441 4.064 5 20 IIBD Cc1ccc(N2CCN(C(=O)c3ccc(N[C@H](C)c4ccccn4)c([N+](=O)[O-])c3)CC2)cc1 784331426 DGPDWICCAKCWPH-LJQANCHMSA-N 445.523 4.434 5 20 IIBD Cc1ccc([C@H](C)NC(=O)NC[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] 784350198 ITIYAXBGWXBCFK-KSFYIVLOSA-N 434.537 4.301 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](OC(=O)[C@@H]1CC12CCOCC2)c1ccccc1 786452403 JFTAIRFICGPKAT-LPHOPBHVSA-N 444.871 4.288 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)C(C)(C)c2ccc(Cl)cc2F)c([N+](=O)[O-])c1 789217436 POAAZNKYTPGDBA-NSHDSACASA-N 438.839 4.244 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 789446871 VJKAKZBIIAVPDG-YESZJQIVSA-N 432.521 4.369 5 20 IIBD CCOc1c(Cl)cccc1CC(=O)OC1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 791813767 USTXPCYNHAVYDZ-UHFFFAOYSA-N 448.903 4.410 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N(CCC(F)(F)F)Cc1ccccc1 792401969 NANSPUDIQSQLLY-UHFFFAOYSA-N 429.782 4.168 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)O[C@@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 792688569 ZHYBJTFHWJYZQF-NSHDSACASA-N 447.419 4.489 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1 800150123 CBPURGUXKMZMLF-UHFFFAOYSA-N 445.834 4.189 5 20 IIBD CCCC(=O)Nc1ccc(CNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cc1 809809423 XNKZMFADSCWDMP-UHFFFAOYSA-N 446.312 4.119 5 20 IIBD CCc1nc(CN2CCC(CNC(=O)Nc3cccc([N+](=O)[O-])c3Cl)CC2)cs1 809919701 OOIJEKXJQVAMSA-UHFFFAOYSA-N 437.953 4.301 5 20 IIBD Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 810365707 MQMFBELWXCYTJK-UONOGXRCSA-N 446.301 4.009 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCc2c(Cl)cc(Cl)cc2C1 812133150 BNIOJOADNOGGDO-UHFFFAOYSA-N 448.310 4.369 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)c2ccc(C(F)(F)F)nc2Cl)cc1C 815050019 NWNDJRZGTCRQFB-JTQLQIEISA-N 437.827 4.318 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 914722208 YXDYNPWJCDWAOY-OAHLLOKOSA-N 444.221 4.423 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2cccc(CN(C)C(=O)OC(C)(C)C)c2)cc1[N+](=O)[O-] 917111179 LPPFBWQIGSSKML-UHFFFAOYSA-N 444.444 4.431 5 20 IIBD O=C(OCc1noc(-c2ccsc2)n1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 917258543 VCHJCCDMQPXOSF-UHFFFAOYSA-N 429.332 4.004 5 20 IIBD COc1cc(C)ccc1Oc1ccc(NS(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])cn1 917737353 APOOCLYCLSYIAN-UHFFFAOYSA-N 433.417 4.039 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)CCOc1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1 919491367 QHHFUZCAVMYCEM-DLBZAZTESA-N 436.464 4.326 5 20 IIBD O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)c1cc(Cl)ccc1[N+](=O)[O-] 919996704 ZKSQWUJXSVBFEU-LBPRGKRZSA-N 438.709 4.267 5 20 IIBD Cc1cc(OCC(=O)OCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1C(C)C 920148818 YOCBLTYOYUZXOZ-UHFFFAOYSA-N 434.876 4.032 5 20 IIBD C[C@H](OC1CCCCC1)C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1320892418 QEJFNBLLQGTEDW-NEPJUHHUSA-N 432.395 4.222 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CCC(Nc2ccccc2Cl)CC1 1324222103 QABLJLBGACMDPX-UHFFFAOYSA-N 430.936 4.161 5 20 IIBD Cc1ccc(-c2nnc([C@H](C)OC(=O)c3cc(Br)cc([N+](=O)[O-])c3N)o2)cc1 1325183949 HXJQXZWAKKVXQW-JTQLQIEISA-N 447.245 4.216 5 20 IIBD COc1ccc(-c2nnc(-c3ccn(-c4ccccc4[N+](=O)[O-])n3)o2)cc1Br 1326314166 APKGEZZWDVXGNZ-UHFFFAOYSA-N 442.229 4.269 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCc2nc(C)c(C)o2)cc1[N+](=O)[O-] 1347699878 MCMZVVLIAHIYDO-UHFFFAOYSA-N 425.466 4.083 5 20 IIBD Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CCC2)nc1C 1785748564 UTYOQLRMNYIGBU-UHFFFAOYSA-N 434.452 4.261 5 20 IIBD Cc1occc1C(=O)NC1(c2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)cc2)CCC1 1785791676 GGSQGZOSQVBPTB-UHFFFAOYSA-N 433.464 4.487 5 20 IIBD Cc1nc(C)c(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])[nH]4)CCC3)cc2)s1 1787337163 QGUCFSOOILNBSD-UHFFFAOYSA-N 439.497 4.058 5 20 IIBD CCO/C=C/C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(C)c([N+](=O)[O-])c3)CCC2)cc1 1791740273 QEHMUKXTGOTXQV-SDNWHVSQSA-N 437.496 4.130 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)n[nH]1 1823281895 MKJDVTNKGXZLAL-WMLDXEAASA-N 443.504 4.069 5 20 IIBD CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3cccc([N+](=O)[O-])c3)CC2)CCC1 1824837937 UASMABGEWDQGEG-JOCHJYFZSA-N 441.572 4.337 5 20 IIBD CC[C@H]1CC[C@H](C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccccc3[N+](=O)[O-])C2)CC1 1847058232 DDNICFQFLBJELW-OVHHSSLOSA-N 425.529 4.028 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)COc1ccc2oc3ccccc3c2c1 9785320 KXJUWCBKGKFHJE-UHFFFAOYSA-N 434.404 4.363 5 20 IIBD COc1cc(CN(C)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1OC(F)F 17958065 DOHCPIDQAIAHDG-UHFFFAOYSA-N 435.427 4.077 5 20 IIBD CC(=O)NCCCc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)cc1 18706350 YTWFHRJSFXCPHI-UHFFFAOYSA-N 438.509 4.348 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)c2nnc(-c3cccc(C)c3)o2)cc1OC 19357878 PSDQWKJMRNFNFF-ZDUSSCGKSA-N 427.413 4.279 5 20 IIBD CNS(=O)(=O)c1ccc(N[C@H](c2ccccc2)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 20669790 KVGJJVWBTTUZLU-HXUWFJFHSA-N 431.901 4.358 5 20 IIBD COc1cc(C(=O)NCCc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])cc1OC(F)F 27604715 VWLJCPROQJCLPE-UHFFFAOYSA-N 434.317 4.196 5 20 IIBD O=C(COc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1)NCc1cccs1 28626469 UZTYVDFJSJZGMU-UHFFFAOYSA-N 436.445 4.125 5 20 IIBD CCOC(=O)C1CCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 32799787 HDNAKFJHMJAGBL-HXUWFJFHSA-N 445.903 4.203 5 20 IIBD COc1ccccc1NC(=O)C1CCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 60858954 KFGPRAPFYDKKFS-UHFFFAOYSA-N 447.495 4.224 5 20 IIBD Cc1cc(C)n(-c2ccc(CNC(=O)COc3ccc([N+](=O)[O-])cc3)c(C(F)(F)F)c2)n1 63332057 XUFGVJXBKWIVQC-UHFFFAOYSA-N 448.401 4.111 5 20 IIBD O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 64869610 XKZAJRHHLRAIHG-UHFFFAOYSA-N 444.900 4.461 5 20 IIBD CC(=O)N[C@@H](CC(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1)c1cccs1 105472377 AJNBLYKLYVPQGS-AWEZNQCLSA-N 430.511 4.294 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cccc(Cl)c1-n1cncn1 105987502 KGOIBXAVUZLCAP-UHFFFAOYSA-N 429.867 4.028 5 20 IIBD O=C1Nc2ccccc2C[C@H]1CCC(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 106187258 ASVBNDSUSQZSQV-OAHLLOKOSA-N 435.402 4.077 5 20 IIBD COc1ccc([C@H](NCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c2ccc(F)cc2)cc1 109096445 SBVUWLWFYNMLAC-HSZRJFAPSA-N 439.443 4.069 5 20 IIBD O=C(CSc1nnc(N2CCCC2)n1-c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 216813719 SUKXSWNMPZINFS-UHFFFAOYSA-N 443.916 4.404 5 20 IIBD COc1ccccc1CC(=O)N1CCC(Nc2cc(C)nc3ccc([N+](=O)[O-])cc23)CC1 302143975 GCYUSIRMGVTSGZ-UHFFFAOYSA-N 434.496 4.106 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NCCCc3nc4ccccc4[nH]3)cc2[N+](=O)[O-])C1 302898280 MMRCRFUAEZCEPF-CALCHBBNSA-N 435.528 4.316 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCO[C@H](c4ccccc4F)C3)cc2[N+](=O)[O-])C1 303160253 HLPXSCNTZLEONT-MFEFFIJZSA-N 441.503 4.430 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(OCc3ccccc3)c(OC)c2)c1 409937363 JGGFJJBQCJBYTJ-UHFFFAOYSA-N 436.464 4.463 5 20 IIBD Cc1nn(CCC(=O)N[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)c(C)c1[N+](=O)[O-] 410041940 MWYNMSGOBCQDQU-QHCPKHFHSA-N 434.496 4.029 5 20 IIBD O=C(CCCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccc(Cl)cc1 426028922 NMXIEIGMIUDCKS-UHFFFAOYSA-N 430.892 4.341 5 20 IIBD COCCN(Cc1cc(Br)cs1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 427746079 YZFKQOPNCSYBBS-UHFFFAOYSA-N 439.287 4.454 5 20 IIBD Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 429793457 FYBRSCJORXSEKP-UHFFFAOYSA-N 432.274 4.154 5 20 IIBD Cc1cccc(C(=O)N2CCCC2)c1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 429964857 GQOYNPMSLNTEGX-UHFFFAOYSA-N 432.274 4.154 5 20 IIBD O=C(CN1CCSC2(CCCCC2)C1)Nc1ccc([N+](=O)[O-])cc1Br 430768900 QGBRSGYAJHMOTH-UHFFFAOYSA-N 428.352 4.048 5 20 IIBD CCN(CC)CCN(Cc1cccs1)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 432053456 GIHTWNXBWRMHNW-UHFFFAOYSA-N 430.574 4.241 5 20 IIBD CCC[C@@H]1CCc2nc(NC(=O)C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)sc2C1 435018089 VDBYBUZYMGLLQT-CQSZACIVSA-N 442.541 4.086 5 20 IIBD Cc1c(CC(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)nnn1-c1ccccc1 440599138 OGTQMKNKAIMBCW-UHFFFAOYSA-N 427.464 4.260 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3ccc4nc(O)n(C)c4c3)cc2[N+](=O)[O-])n1 443180003 JDROLRLBSNLTOQ-UHFFFAOYSA-N 441.494 4.356 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 444631458 LZBXJOIQFHMAPE-HUUCEWRRSA-N 433.493 4.447 5 20 IIBD O=C(Nc1nnc(-c2cccc(Cl)c2)s1)c1sc(Br)cc1[N+](=O)[O-] 445184842 PTLDMFHWOQIITB-UHFFFAOYSA-N 445.707 4.843 5 20 IIBD CCOc1ccc(NC(=O)Cc2noc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2)cc1 445337389 QYPASIJRTZFVIS-UHFFFAOYSA-N 436.346 4.244 5 20 IIBD CCOC(=O)c1csc(N(C(=O)Cc2cccc([N+](=O)[O-])c2)c2ccc(OC)cc2)n1 460105301 KYHCNPLRXXNWKG-UHFFFAOYSA-N 441.465 4.144 5 20 IIBD CCn1c(CSc2ccccc2OC)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 460229302 DNFZGCPOAYTVMH-UHFFFAOYSA-N 427.530 4.186 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1C[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 461428615 MHSZANUMEMAKRO-FGZHOGPDSA-N 437.543 4.275 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 461430846 QEXZSEVAWCBVHX-DLBZAZTESA-N 433.430 4.208 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(NC(=O)[C@H](C)n2cccn2)c1 462423246 TUVLMOSMFQLSDJ-WMZOPIPTSA-N 435.484 4.198 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl 462774797 PAKXQMNPAQYQDN-GOEBONIOSA-N 441.311 4.026 5 20 IIBD COc1cc(CN[C@@H](C)c2cc3c(cc2Br)OCCO3)c([N+](=O)[O-])cc1F 464491610 AGAKNTCVDTYGQM-JTQLQIEISA-N 441.253 4.127 5 20 IIBD CC[C@@H]1Oc2cc([C@@H](C)Nc3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)ccc2NC1=O 467010138 BSTZYDSNVFSLSI-VLIAUNLRSA-N 438.484 4.113 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1nc(-c2ccc(C)s2)c(C)s1 467255229 WSOSQLYXABDKDC-GFCCVEGCSA-N 434.547 4.268 5 20 IIBD COc1cc(S(=O)(=O)Nc2ccc(COCc3ccccc3)cc2)ccc1[N+](=O)[O-] 468977982 NTVQWACVIUSKCL-UHFFFAOYSA-N 428.466 4.121 5 20 IIBD CSc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1Cl 474761908 FJVRXCOJBVGZKU-LBPRGKRZSA-N 425.919 4.275 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3cnn([C@@H](C)CC)c3C3CC3)CC2)ccc1[N+](=O)[O-] 477371287 HFSCKTJZIUYXKD-INIZCTEOSA-N 441.532 4.001 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C(=O)N1Cc2ccccc2C1 477478011 JFBVSAZFERURKH-HNNXBMFYSA-N 427.526 4.004 5 20 IIBD Cc1cc(OCC(=O)c2ccccc2N2C(=O)c3ccccc3C2=O)c(F)cc1[N+](=O)[O-] 478712473 AEAHSNMXAGAENC-UHFFFAOYSA-N 434.379 4.105 5 20 IIBD CCn1c(SC[C@@H](O)COc2c(C)ccc(C)c2C)nnc1-c1ccc([N+](=O)[O-])cc1 480369998 DPTUWGUGQWXJKL-IBGZPJMESA-N 442.541 4.330 5 20 IIBD COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)c(OC)c1OC 482413446 IUGMDLKWENZEJH-UHFFFAOYSA-N 434.514 4.299 5 20 IIBD CCOc1ccc(-c2nc(COc3cc(C(=O)OC)ccc3[N+](=O)[O-])cs2)cc1OC 482830015 WUDITOXNSLWLHN-UHFFFAOYSA-N 444.465 4.491 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H]2CC[C@H](c3ccccc3F)C2)ccc1[N+](=O)[O-] 482903867 TVKWFCAKWRIQSV-AQOAWAETSA-N 439.487 4.099 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 484550812 YNBNFYRYVCTEOT-JOCHJYFZSA-N 447.470 4.362 5 20 IIBD CCN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@H](C)Cc1ccccc1C(F)(F)F 484675050 VDCGZGGDBSTBMJ-CQSZACIVSA-N 447.417 4.288 5 20 IIBD CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 485124650 XKAUBFUUYICDHR-IBGZPJMESA-N 427.526 4.051 5 20 IIBD Cc1ccccc1[C@@H]1CN(C(=O)c2sc(Br)cc2[N+](=O)[O-])[C@H](C)CO1 485878271 ACWZDJNQIKUPFL-RISCZKNCSA-N 425.304 4.329 5 20 IIBD COC(=O)c1cc(NC(=O)Cc2csc(-c3cccc(F)c3)n2)c(C)c([N+](=O)[O-])c1 485973262 CLIUMVPNIJGJPM-UHFFFAOYSA-N 429.429 4.134 5 20 IIBD COC(=O)CN(C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1cccc(F)c1 486160667 CJESDWLKHGXKIN-UHFFFAOYSA-N 438.411 4.133 5 20 IIBD CSc1cccc(C(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)c1[N+](=O)[O-] 486228888 QLFBYRRPSLMTAJ-UHFFFAOYSA-N 438.427 4.469 5 20 IIBD CCOc1ccccc1Oc1ccccc1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 487081979 BGPBXKWWYJTAAK-UHFFFAOYSA-N 436.468 4.460 5 20 IIBD COc1c(C)cnc(CN2CCC(N(C)C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)c1C 487471999 JYRURJPOPZZWCK-UHFFFAOYSA-N 446.935 4.005 5 20 IIBD COCCOc1ccc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(C)c1 488327285 GUORZFDBVFYLLT-UHFFFAOYSA-N 427.379 4.269 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Br)ccc1OC 488365434 XNAMEGJLRTZDQZ-UHFFFAOYSA-N 441.303 4.357 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCN(c2ccc(Br)cc2)C1 489490934 USXGNCPASPZIBR-LBPRGKRZSA-N 439.697 4.411 5 20 IIBD Cc1c(CS(C)(=O)=O)cccc1NC(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C 489875250 YXBQLQXLBSWQIH-UHFFFAOYSA-N 436.555 4.448 5 20 IIBD Cc1cc(Sc2ncccn2)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C 491763358 SZJSCCYXSMVFKK-UHFFFAOYSA-N 430.511 4.262 5 20 IIBD COC(=O)c1cccc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3SCC(C)C)[nH]c12 494096436 KXKKZQRGYFZVNV-UHFFFAOYSA-N 428.470 4.258 5 20 IIBD C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1cc(Cl)ccc1Cl 494776627 DDFYASIQRIXFQN-IINYFYTJSA-N 442.324 4.445 5 20 IIBD C[C@@H]1[C@H](CO)CCN1C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 495215722 RRQZJIDQPUMNOZ-OCCSQVGLSA-N 437.855 4.092 5 20 IIBD CCCc1[nH]nc(C(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)c1[N+](=O)[O-] 497850556 BKJFHIGIJQXPAA-HNNXBMFYSA-N 440.422 4.282 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC(N2CCc3ccccc32)CC1 502223484 WYIPYHQNWMOBMK-UHFFFAOYSA-N 432.427 4.255 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 502815919 XICCVPGNSXFBLF-GOSISDBHSA-N 429.498 4.467 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCCCC[C@@H]1c1noc(-c2cnn(C)c2)n1 503976461 HDELBTJWZXWZEE-QGZVFWFLSA-N 439.476 4.144 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(CCCc2ccccc2)C1=O 507288764 BMQIEZSTQFMCIQ-HXUWFJFHSA-N 441.553 4.060 5 20 IIBD COC(=O)c1occc1CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)c1ccccn1 508514624 XEENGLVBLDUAIA-CYBMUJFWSA-N 443.843 4.426 5 20 IIBD COc1cc(CN2CCC[C@H](c3nc(C)no3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 509370978 HRHOIXAANWYAOG-IBGZPJMESA-N 438.484 4.253 5 20 IIBD O=[N+]([O-])c1cc(CN[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)c2c(c1)COCO2 510402598 RBEGDQGNVXJLAI-MRXNPFEDSA-N 434.317 4.456 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1ccc(OC(F)F)cc1OC(F)F 512958141 BQYHPSNQQGIEPV-UHFFFAOYSA-N 444.746 4.252 5 20 IIBD Cc1ccc(Cn2nc(C)c(CCC(=O)N(C)CCc3cccc([N+](=O)[O-])c3)c2C)cc1 513039130 XCWIINMHWXOAIR-UHFFFAOYSA-N 434.540 4.399 5 20 IIBD O=C(Cn1cc(Br)c([N+](=O)[O-])n1)N[C@@H](c1ccccc1)c1cccc(Cl)c1 515604796 OGPRGZCLVJBULO-KRWDZBQOSA-N 449.692 4.113 5 20 IIBD COc1cc2c(cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)oc1ccccc12 515621489 LMOUVHBUSRSLMI-UHFFFAOYSA-N 428.422 4.312 5 20 IIBD COc1cc(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc1OC1CCCC1 515760006 IMWWHGBMTWNTQV-UHFFFAOYSA-N 440.905 4.057 5 20 IIBD CCOC(=O)c1sc2ccsc2c1CNC(=O)c1cc(OCC)ccc1[N+](=O)[O-] 516258962 LULSGTVSYVPDTB-UHFFFAOYSA-N 434.495 4.376 5 20 IIBD C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)C1=O 516880382 RDKUGUUTVNNEPL-MEDUHNTESA-N 437.269 4.056 5 20 IIBD CC(=O)NCCCNC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 518033114 FHFDERLTQFGPDA-UHFFFAOYSA-N 441.431 4.021 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NCc1ccc(Oc2ccccc2)cc1 518659108 PFPUPZFFELOYDL-UHFFFAOYSA-N 439.855 4.087 5 20 IIBD CC(C)CN(Cc1ccccc1F)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 518906633 LZYWVLXSHNFTLT-QGZVFWFLSA-N 433.505 4.085 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1nnc(SCc2ccccc2)s1 520097643 GZUUKTYKAHPGPZ-UHFFFAOYSA-N 425.495 4.332 5 20 IIBD Cc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc2)cc1[N+](=O)[O-] 521557289 QTVOKQGJMBPSFI-UHFFFAOYSA-N 426.450 4.027 5 20 IIBD CCCN(Cc1ccc(F)cc1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 521774815 PEOIASXNRPSGPT-UHFFFAOYSA-N 431.283 4.097 5 20 IIBD CC(C)NC(=O)c1ccc(N[C@@H]2CCN(c3ccccc3OC(F)F)C2)c([N+](=O)[O-])c1 522646248 GZLYPPPFOCDPLF-OAHLLOKOSA-N 434.443 4.025 5 20 IIBD COc1ccc(CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c2ccncc2)cc1 524834781 CAAQNZDHRGTYEJ-UHFFFAOYSA-N 446.507 4.448 5 20 IIBD CS(=O)(=O)[C@@H]1CCC[C@@H](NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 524884692 QHOSDLDAENLMJV-HZPDHXFCSA-N 438.933 4.486 5 20 IIBD C[C@H]1[C@@H](c2ccccc2)C[C@@H](C)N1C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 525131472 MDIUHYORAVGJCO-VKJFTORMSA-N 437.525 4.281 5 20 IIBD CCc1ccc([C@H](COC)NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)o1 525550713 IAHZISHYVBTIDI-QRWLVFNGSA-N 438.484 4.436 5 20 IIBD CN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@@H](c1ccc(Cl)cc1)C(F)(F)F 532087231 QYLRRSOPOPFSFW-INIZCTEOSA-N 439.781 4.205 5 20 IIBD C[C@@]1(CN[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)CCCO1 532292667 TWQLUNBHAGHSNW-ICSRJNTNSA-N 448.317 4.196 5 20 IIBD CC(C)N(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1nc(O)c2ccccc2n1 533492000 YKXRMNMTRRDOPU-UHFFFAOYSA-N 433.468 4.352 5 20 IIBD O=C(Nc1cccc2ccc(O)cc12)c1ccc([N+](=O)[O-])cc1I 541158589 HYUCLXMIHCHURO-UHFFFAOYSA-N 434.189 4.311 5 20 IIBD O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(SC2CCCC2)cc1 542694019 DQFFNALBDKDCGL-UHFFFAOYSA-N 449.554 4.225 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 542712514 UIDRXVXHMYQKNC-UHFFFAOYSA-N 441.246 4.031 5 20 IIBD COC(=O)C[C@H](NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccc(C(F)(F)F)cc1 543459886 GKKLDFYAWDKKCU-DIFFPNOSSA-N 442.365 4.277 5 20 IIBD Cc1cc(C)n(-c2ccc(Cc3noc(Cc4c[nH]c5ccc([N+](=O)[O-])cc45)n3)cc2)n1 545538181 ILOJTDVYZRSZOJ-UHFFFAOYSA-N 428.452 4.443 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(-c3cccnc3N3CCOCC3)no2)ccc1Nc1ccccc1 545644908 ACIUFJQZQYDGAM-UHFFFAOYSA-N 444.451 4.287 5 20 IIBD CC(C)(C)Oc1ccc(-c2noc(CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)n2)cc1 546280735 XRTFTNPORBRCMF-UHFFFAOYSA-N 438.440 4.363 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CC[C@H](C4CCOCC4)C3)n2Cc2cccs2)c1 549954991 JWENMJWHMLCQIP-SFHVURJKSA-N 439.541 4.216 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(C4CCC(OC[C@H]5CCCO5)CC4)n3)c2c1 551395305 FGFKRYHTLLXDMN-IUPXNIOVSA-N 426.473 4.272 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(-c2nc(C(C)(C)NC(=O)c3cccc(Cl)c3)no2)c1 555426921 IJNLUKWUODUBHL-UHFFFAOYSA-N 430.848 4.362 5 20 IIBD O=C(c1ccn(-c2ccc(Br)cc2)n1)N1CCCc2ccc([N+](=O)[O-])cc21 556266799 PGTREQGUPQFQJB-UHFFFAOYSA-N 427.258 4.136 5 20 IIBD COc1ccccc1[C@@H](CN[C@H](c1cccc([N+](=O)[O-])c1)c1nccn1C)N1CCCCC1 556862886 HMHBIKOUAMJYQR-ISKFKSNPSA-N 449.555 4.243 5 20 IIBD C[C@H](NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1noc(-c2ccc(Cl)cc2)n1 558911272 AIVVVLVWPVTFDO-ZDUSSCGKSA-N 429.864 4.243 5 20 IIBD Cc1ccc([C@]2(C)CCN(c3nnc(-c4ccc([N+](=O)[O-])cc4)n3C[C@@H]3CCOC3)C2)cc1 559172041 AZXFCWZJFIHPBY-UQBPGWFLSA-N 447.539 4.366 5 20 IIBD CCOc1cccc2[nH]cc(Cc3nc(Cc4cc(OC)cc(OC)c4[N+](=O)[O-])no3)c12 561927088 PHERRDPSXUDPCY-UHFFFAOYSA-N 438.440 4.057 5 20 IIBD COc1ccc(-c2ncc(-c3nc(-c4ccc(N)c([N+](=O)[O-])c4)no3)s2)cc1OC 565328892 KXWZXFCEFFBHIC-UHFFFAOYSA-N 425.426 4.035 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNc3cccc(S(=O)(=O)N4CCCC4)c3)o2)cc1 571440094 ONTWKEUPZNEHLK-UHFFFAOYSA-N 427.482 4.251 5 20 IIBD COc1cc(CN2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)c([N+](=O)[O-])cc1F 577836072 HLIDWWVMYYNZGN-GOSISDBHSA-N 430.354 4.215 5 20 IIBD O=C(CCc1ncc(-c2ccccc2F)o1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 590646866 ODHWKPWBPSPJNI-UHFFFAOYSA-N 427.388 4.122 5 20 IIBD COc1ccc(CNC(=O)C2(c3ccc(Br)cc3)CCCC2)cc1[N+](=O)[O-] 604017951 KFXBEAMWKNFTTL-UHFFFAOYSA-N 433.302 4.494 5 20 IIBD CC(C)(C(=O)Nc1nc(-c2ccc(Br)cc2)cs1)n1cc([N+](=O)[O-])cn1 608802231 CFFUSMHJHGWCMZ-UHFFFAOYSA-N 436.291 4.051 5 20 IIBD C[C@@H](CC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1F 608845937 ZYTXZDGVZHFTJC-LBPRGKRZSA-N 449.485 4.156 5 20 IIBD COc1ccc([C@@H]2CCCCCN2C(=O)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 608869840 RYRTXSYUTILUHQ-NRFANRHFSA-N 435.484 4.006 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCO[C@@H](c2ccccc2F)C1 608963125 NBOOOMVIEBLSFL-GOSISDBHSA-N 441.381 4.155 5 20 IIBD O=C(Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1)c1cnn(-c2ccccc2)c1 609817717 YPUKDBOGQWBPFY-UHFFFAOYSA-N 440.419 4.479 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccc(OC(F)(F)F)cc1 609856247 UFMMVPJZGHPHGD-OAHLLOKOSA-N 446.765 4.181 5 20 IIBD Cn1ccnc1Sc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Br 610042321 FZBNTXWYVCRPBN-UHFFFAOYSA-N 433.287 4.494 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H](C)C[C@@H]3CCOC3)c([N+](=O)[O-])c2)c(C)c1 610734908 UFODQLAKGDTGPJ-IRXDYDNUSA-N 433.530 4.239 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@H](C)C[C@@H]3CCOC3)c([N+](=O)[O-])c2)c(C)c1 610734909 UFODQLAKGDTGPJ-SJORKVTESA-N 433.530 4.239 5 20 IIBD O=[N+]([O-])c1c[nH]cc(Br)c1=NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 611227037 XBGGSQUEXCCBMP-BQBZGAKWSA-N 436.150 4.496 5 20 IIBD C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1ccc(C(F)(F)F)cc1 615967191 SCEIDRZIAPNMKI-SMDDNHRTSA-N 441.431 4.157 5 20 IIBD O=C(c1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 725827023 JVDGAFBJESYGTJ-UHFFFAOYSA-N 443.308 4.185 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N2c3ccccc3CC[C@@H]2C(=O)Nc2ccc(F)cc2)c1 726919531 OXVSSSGSVARCOB-JOCHJYFZSA-N 449.438 4.343 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(CC[C@H](O)c2ccccc2)c1 727361846 GMKOWFPBNVPMOQ-NRFANRHFSA-N 426.494 4.370 5 20 IIBD COc1ccc(NC(=O)[C@@H](OC(=O)c2cc(C)cc([N+](=O)[O-])c2N)c2ccccc2)cc1 727901049 PTNTWIVTNWUJSQ-NRFANRHFSA-N 435.436 4.031 5 20 IIBD O=C(Nc1ccccc1C(=O)Nc1cnc(C2CC2)nc1)c1ccc([N+](=O)[O-])cc1Cl 728525645 FOWBBZQVOHLDOE-UHFFFAOYSA-N 437.843 4.420 5 20 IIBD CCn1c(SCC(=O)OCc2c(F)cccc2[N+](=O)[O-])nnc1-c1cccc(C)c1 728988497 KZHVFTMJPIWMCJ-UHFFFAOYSA-N 430.461 4.156 5 20 IIBD C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCCC[C@@H]2c2cc3ccccc3[nH]2)C1=O 731027842 QUPITNLKMLTICR-QPPBQGQZSA-N 447.495 4.028 5 20 IIBD CNc1ccc(C(=O)Oc2ccc(C(=O)N3CCc4sccc4C3)cc2)cc1[N+](=O)[O-] 731414413 RHVKVAGQGFLKOB-UHFFFAOYSA-N 437.477 4.116 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1I)N1CCCC2(CCCCC2)C1 732176037 SBERHOAZLDFQGV-UHFFFAOYSA-N 428.270 4.386 5 20 IIBD Cc1cc(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)c(N)c([N+](=O)[O-])c1 732295493 DJJORPIODJFDNX-UHFFFAOYSA-N 434.275 4.019 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@@H](C)OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 733072149 LRGUAEMHHVWDTO-OAHLLOKOSA-N 439.493 4.451 5 20 IIBD COc1cc(CN2C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F 733200263 KUSXBEDQOQIMKU-STQMWFEESA-N 445.463 4.035 5 20 IIBD CC(C)(C)OC(=O)N1CCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 735368836 SUYSRSLFBMAKTC-UHFFFAOYSA-N 442.472 4.472 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)cc1[N+](=O)[O-] 742029841 UFEMCMTXJLENHP-UHFFFAOYSA-N 425.438 4.190 5 20 IIBD COc1ccc(OS(=O)(=O)c2ccc(OCC(F)F)c3ccccc23)c([N+](=O)[O-])c1 742268850 GZNTYSIWYMKKOV-UHFFFAOYSA-N 439.392 4.168 5 20 IIBD COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])c1 742627632 JULXZHRWKSOUAZ-UHFFFAOYSA-N 430.461 4.025 5 20 IIBD Cc1ccc(C[C@H](OC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C2CC2)cc1 744263354 SFLSNRVBNKQJEF-IBGZPJMESA-N 438.509 4.361 5 20 IIBD CCC(CC)(CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)NC(=O)OC(C)(C)C 744682809 YDGSSISEEZAFFZ-UHFFFAOYSA-N 434.537 4.008 5 20 IIBD CN(CC(=O)OCC(=O)Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1[N+](=O)[O-] 745614277 HKFFERGZTWRBEN-UHFFFAOYSA-N 446.674 4.173 5 20 IIBD Cc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 746409574 XDMSTTBMIPJCKE-NSHDSACASA-N 425.338 4.053 5 20 IIBD CC(C)[C@@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N1CCC[C@H](C)C1 747961717 JJZYIYBCOFWNOB-KBXCAEBGSA-N 431.514 4.158 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])NC(=O)OC(C)(C)C 749915223 FCMDYUKYKQVLPR-MRXNPFEDSA-N 449.891 4.253 5 20 IIBD O=C(Nc1ccccc1)Nc1cccc2c1CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 750067003 NAACNOSVROGRQI-HSZRJFAPSA-N 432.480 4.331 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@@H](C)C[C@H](O)c3cccs3)cc2[N+](=O)[O-])C1 752272887 FQBFNSORDLNMHS-QOIOWGMHSA-N 431.558 4.381 5 20 IIBD CCCCN(C)C[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 753019510 LMJGGTKYFVYJER-OAHLLOKOSA-N 446.935 4.351 5 20 IIBD COC(=O)c1cc(NC(=O)N(CC(C)C)C[C@@H](O)c2ccc(F)cc2)c(C)c([N+](=O)[O-])c1 753129970 ISOYAJIDSOYEGT-HXUWFJFHSA-N 447.463 4.052 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)CC3)c1Br 754078068 LHMLTFJTDINYBV-STQMWFEESA-N 441.326 4.039 5 20 IIBD CN(CCCc1nc2ccccc2[nH]1)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754966286 GBTBUZLQIPUOAY-UHFFFAOYSA-N 435.253 4.078 5 20 IIBD O=C(NC[C@H](O)c1c(F)cccc1Cl)Nc1ccc(Br)c([N+](=O)[O-])c1 755024950 SSLMUBSFGUQBKC-ZDUSSCGKSA-N 432.633 4.005 5 20 IIBD COc1ccc(-c2nc(COC(=O)CCc3cccc([N+](=O)[O-])c3)cs2)c(OC)c1 756528095 NQCUXEXHRBUXHS-UHFFFAOYSA-N 428.466 4.412 5 20 IIBD COc1ccccc1OCc1ccc(C(=O)O[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)o1 759928029 FOGIGDWFZMXJPM-IRXDYDNUSA-N 441.440 4.313 5 20 IIBD O=C(CCCc1nc(-c2ccc(F)cc2)no1)O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 759946066 IKHYTDDHNMYZCF-SJORKVTESA-N 443.435 4.030 5 20 IIBD O=C(Nc1nnc([C@@H]2CCCc3ccccc32)s1)c1cc([N+](=O)[O-])c2nsnc2c1 762514916 RESXUJJZUONGCU-CYBMUJFWSA-N 438.494 4.172 5 20 IIBD O=Cc1ccc(OCC(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c([N+](=O)[O-])c1 762540724 QSWUECFTGRCGET-UHFFFAOYSA-N 436.386 4.211 5 20 IIBD COc1cc(CCNC(=O)[C@H](C)Sc2nc3ccccc3s2)c([N+](=O)[O-])cc1OC 762736190 GHCOSPNUEAEVAO-LBPRGKRZSA-N 447.538 4.061 5 20 IIBD COc1cc(C(C)=O)c(OC)cc1OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 764310626 GSYADTLKAPDKNZ-UHFFFAOYSA-N 428.422 4.157 5 20 IIBD O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 765886043 QLCQLKYPTLONAY-RUZDIDTESA-N 444.535 4.403 5 20 IIBD CS(=O)(=O)CC1(COC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 767506690 JUGPURPHKZTUGH-UHFFFAOYSA-N 439.873 4.022 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N2CCCCC[C@@H]2CC(=O)c2ccco2)cc1[N+](=O)[O-] 767867621 DEAIVVZHDASTAE-CQSZACIVSA-N 440.905 4.356 5 20 IIBD C[C@@H](Sc1nnc(COc2ccccc2)n1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 768413651 IUCXAXZZMXEMHH-GFCCVEGCSA-N 447.904 4.075 5 20 IIBD Cc1ccc(Cc2nc(C(=O)OCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])cs2)cc1 768659040 RWCZZKSUMBTXQL-UHFFFAOYSA-N 445.884 4.399 5 20 IIBD O=C(Nc1ccccc1C(=O)N[C@@H]1CCOC2(CCC2)C1)c1ccc([N+](=O)[O-])cc1Cl 769342970 ROPNYWABSHYRLY-CQSZACIVSA-N 443.887 4.332 5 20 IIBD COCC[S@@](=O)Cc1cccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 770578188 AWTBFDFBGKXSLD-GDLZYMKVSA-N 431.539 4.226 5 20 IIBD C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cccc(N2CCOC2=O)c1 771765389 MPLNXDOFKRCJAS-LLVKDONJSA-N 438.362 4.453 5 20 IIBD Cc1ccc(COC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)nc1 772249696 RENVHFFYYSMIET-UHFFFAOYSA-N 428.448 4.437 5 20 IIBD O=C(CN[C@H](c1ccccc1)C(F)(F)F)OCc1ccc(Br)c([N+](=O)[O-])c1 773458609 LCIGWRGTENDCNY-MRXNPFEDSA-N 447.207 4.294 5 20 IIBD C[C@H](NC(=O)c1ccccc1NC(=O)CN[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 775191309 GHVHEPUDADEGRP-MSOLQXFVSA-N 446.507 4.375 5 20 IIBD O=C(OCc1ncc(-c2ccc(Cl)cc2)o1)c1cccc([N+](=O)[O-])c1N1CCOCC1 776450711 NKLBSUGUQZVEBP-UHFFFAOYSA-N 443.843 4.097 5 20 IIBD O=C(Nc1ccccc1)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1ccc([N+](=O)[O-])cc1F 777943374 HIZXBXSABIVVCH-OAQYLSRUSA-N 448.479 4.303 5 20 IIBD COc1ccc(-c2nc(C(=O)O[C@@H]3CCN(c4ccc([N+](=O)[O-])cc4)C3)cs2)cc1 778784453 ALFDJHGZBYMADC-GOSISDBHSA-N 425.466 4.163 5 20 IIBD CC(C)S[C@@H]1CCCC[C@@H]1OC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 781493522 OXMTVZORIFOIKP-DOTOQJQBSA-N 436.559 4.484 5 20 IIBD C[C@@H]1CCCCN1Cc1ccc(CNC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 781600592 BDIURTXEXYRDMK-QGZVFWFLSA-N 440.500 4.126 5 20 IIBD CC(C)(C)OC(=O)N(CC1CC1)C1CCN(c2ncnc3ccc([N+](=O)[O-])cc23)CC1 782148588 FBBFAYQWQCXNAC-UHFFFAOYSA-N 427.505 4.154 5 20 IIBD O=[N+]([O-])c1ccc2oc(=S)n(CN3CCC[C@H](n4ccc(C(F)(F)F)n4)C3)c2c1 782293650 CRWWOSTVXSJYSS-LBPRGKRZSA-N 427.408 4.382 5 20 IIBD CC1CCN(c2ccc(C(=O)O[C@@H](C)C(=O)N(C)Cc3ccccc3)cc2[N+](=O)[O-])CC1 783277305 GFNFUDIWJHGJAT-SFHVURJKSA-N 439.512 4.035 5 20 IIBD C[C@H](OC(=O)c1cc(O)ccc1Cl)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 785869814 XOYXQCHRMFASIB-JTQLQIEISA-N 447.856 4.261 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(I)c1)c1cnc(Cl)c(Cl)c1 788109497 XGIJMOLDVCQEBK-UHFFFAOYSA-N 438.008 4.154 5 20 IIBD Cc1nn(CN(Cc2cccc(Br)c2)CC2CC2)c2ncc([N+](=O)[O-])cc12 788779876 MTMYCNNPEJWQIZ-UHFFFAOYSA-N 430.306 4.280 5 20 IIBD COC(=O)c1ccc(OC(=O)c2ccnc(Oc3ccc(F)cc3F)c2)cc1[N+](=O)[O-] 789478218 HOBYUTHPUAFFNL-UHFFFAOYSA-N 430.319 4.066 5 20 IIBD CC1(C)Cc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3I)c2O1 789703199 GMUOPSAUVQHDOK-UHFFFAOYSA-N 438.221 4.165 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1nnc(-c2ccc(F)cc2)n1C 789715248 GRSQFLPUQFGUQO-UHFFFAOYSA-N 430.461 4.389 5 20 IIBD Cc1[nH]c2ccc(Br)cc2c1CC(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 791713042 NFHKZBCIHCKLMD-UHFFFAOYSA-N 448.229 4.341 5 20 IIBD O=C(OCc1cccc(Br)n1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 795533767 XEKXOKCPIFPWGD-UHFFFAOYSA-N 445.219 4.474 5 20 IIBD Cc1cc(OS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3C)c(Cl)cc1[N+](=O)[O-] 796205559 OSNXXUZHOCKYAF-UHFFFAOYSA-N 432.841 4.068 5 20 IIBD CN(C(=O)c1ccc(I)c([N+](=O)[O-])c1)c1cccc2cccnc12 798510337 PPQAWVJESYBJEL-UHFFFAOYSA-N 433.205 4.024 5 20 IIBD COC(=O)CC1(COC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 799460828 PCJBJFMEQQYRRT-UHFFFAOYSA-N 446.843 4.001 5 20 IIBD C[C@H](OC(=O)c1ccc(Oc2ccccc2)cn1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 799551507 JJIXTVHSARKBHE-ZDUSSCGKSA-N 425.372 4.105 5 20 IIBD CC(C)(C)OC(=O)NCC[C@@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 799583289 ZFWUXDRMCJNZQV-AWEZNQCLSA-N 437.928 4.182 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(Cc1ccc(F)cc1F)C1CCCC1 800628177 VOLLLPRMPVOXDF-UHFFFAOYSA-N 435.402 4.230 5 20 IIBD O=[N+]([O-])c1ccc(F)c(NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)c1 800928702 RXVTYJMNQBACMW-CQSZACIVSA-N 444.868 4.136 5 20 IIBD O=C(OCc1ncnn1CC(F)F)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 801200511 PFZRPULXHUZZRJ-UHFFFAOYSA-N 438.774 4.254 5 20 IIBD Cc1c(C(=O)Nc2ccc(Cc3nc(C(C)C)no3)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 801710484 DWAQNNJSOYRTNM-UHFFFAOYSA-N 439.428 4.469 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 808468686 XGDLMABOQQWYOO-WKILWMFISA-N 442.516 4.204 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H](C)c1ccc(S[C@H]2CCCCNC2=O)cc1 809045972 JSUMDKLNHNSSQV-XOBRGWDASA-N 444.509 4.282 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H]2c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)C1 809433012 BMHLYPKASOFRAJ-OPAMFIHVSA-N 439.472 4.164 5 20 IIBD O=C(N[C@H]1c2ccccc2CC12CCOCC2)c1ccc(Br)c([N+](=O)[O-])c1 810921404 SEKJZNPYYYEQKR-SFHVURJKSA-N 431.286 4.181 5 20 IIBD O=C(OCc1cc(I)cc([N+](=O)[O-])c1)c1ccc2ccccc2n1 811033176 WHMLEVFUYBGQIS-UHFFFAOYSA-N 434.189 4.105 5 20 IIBD O=C(NC[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2OC(F)F)C1)Nc1cccc(F)c1 811802593 DXXXIKOVBORGEG-CYBMUJFWSA-N 438.406 4.373 5 20 IIBD O=C(Nc1cccc(OCC(=O)N2CCCC2)c1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 812905433 BFAQEFZZMLVLAT-UHFFFAOYSA-N 438.267 4.155 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)C1 814429976 ZOTMWFPUNJEVAO-VQTJNVASSA-N 445.560 4.413 5 20 IIBD O=C(COc1cccc(Cl)c1[N+](=O)[O-])N1CCC[C@H]1c1ccc2c(c1)OCCCO2 814773548 BSRJGBZTLUWOMI-INIZCTEOSA-N 432.860 4.152 5 20 IIBD O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CCCC[C@@H]1c1nc2ccccc2o1 815024697 KIOCCLAGFUMYKT-CQSZACIVSA-N 439.852 4.444 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1F)C1CCN(c2noc3ccc(Cl)cc23)CC1 815371909 PHVBJEFAHCEDFL-UHFFFAOYSA-N 433.823 4.488 5 20 IIBD C[C@@H](OC(=O)CSc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Br)cc1 819017185 YZIZRYXPNYLBIH-LLVKDONJSA-N 439.287 4.020 5 20 IIBD Cc1c(Cl)cccc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 823286506 AYXGYFZKISPGMA-UHFFFAOYSA-N 431.876 4.342 5 20 IIBD CC(=O)c1cccc(NC(=O)COC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 846721435 GFTBUWCNZDZEBF-UHFFFAOYSA-N 447.447 4.205 5 20 IIBD Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 849194304 IVRROYHCTORSJK-MRXNPFEDSA-N 436.468 4.396 5 20 IIBD CCc1ccc([C@@H](C)NC(=O)[C@@H](C)OC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 853790416 DSOIMVFNMKJZJJ-CHWSQXEVSA-N 449.301 4.342 5 20 IIBD O=C(CSC(F)F)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 899259864 SSCIQUMQTASRGP-HNNXBMFYSA-N 430.816 4.427 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1ccc(Cl)c(I)c1 915280641 QATRNBCEBRRHSB-UHFFFAOYSA-N 438.555 4.383 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@H](C)Oc1cccc(Cl)c1Cl 915494718 FYGKTUPQPDMVKD-NSHDSACASA-N 427.240 4.159 5 20 IIBD CC(C)c1cccc(C(C)C)c1NC(=S)NNS(=O)(=O)c1cccc([N+](=O)[O-])c1 915994494 URTHBPHTTPHHRZ-UHFFFAOYSA-N 436.559 4.022 5 20 IIBD COc1ccc(CN/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)c3ccccc32)cc1[N+](=O)[O-] 917606084 HVIFSRDZUCBDJO-QNGOZBTKSA-N 443.459 4.230 5 20 IIBD CCOc1cc(NC(=O)c2cc(-c3ccccc3OC)on2)c([N+](=O)[O-])cc1OCC 918149670 UMLDFCFMVXFAQD-UHFFFAOYSA-N 427.413 4.308 5 20 IIBD CCCCN1C(=O)C[C@@H](C(=O)OCc2cc(F)ccc2[N+](=O)[O-])[C@@H]1c1ccc(OC)cc1 918997578 DDTZJHXPVMDUNZ-KNQAVFIVSA-N 444.459 4.176 5 20 IIBD C[C@@H](OC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 919374681 FXZONHADOITLBM-LLVKDONJSA-N 434.880 4.261 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)/C=C\c1ccc(I)o1 919867644 JNINHIYGIPCKFH-NTMALXAHSA-N 440.237 4.243 5 20 IIBD Cn1c(S)nc2cc(C(=O)Oc3ccc(-c4ccccc4)cc3[N+](=O)[O-])ccc2c1=O 920330122 TVHOCENQGMSCJJ-UHFFFAOYSA-N 433.445 4.017 5 20 IIBD CCCN(Cc1nc(O)c2sccc2n1)Cc1ccc([N+](=O)[O-])cc1Br 1116673248 DFACPZHLFZLVDF-UHFFFAOYSA-N 437.319 4.480 5 20 IIBD COc1ccc(-c2nnc(N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)n2C[C@@H]2CCOC2)cc1 1324676902 LPSXKHSTGZEXDG-SFHVURJKSA-N 449.511 4.067 5 20 IIBD Cn1cc(N2CC[C@H](NCc3ccc(Oc4ccccc4Cl)c([N+](=O)[O-])c3)C2)cn1 1328687652 SVYREDSDTRQSDP-INIZCTEOSA-N 427.892 4.143 5 20 IIBD O=[N+]([O-])c1ccccc1-c1nnc(-c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)o1 1345790985 BWGQEBUQTAKZDX-UHFFFAOYSA-N 425.408 4.014 5 20 IIBD CO/C=C(\C)C(=O)Nc1ccc(C2(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)CCC2)cc1 1789432678 QJUXWBWNFIMJKH-BUHFOSPRSA-N 427.432 4.032 5 20 IIBD COc1cc(C(=O)Nc2ccc(C3(NC(=O)C(C)C)CCC3)cc2)cc([N+](=O)[O-])c1OC 1790813013 LNJBEYXFGXUDCI-UHFFFAOYSA-N 441.484 4.016 5 20 IIBD CC[C@H]1CC[C@H](C(=O)Nc2ccc(C3(NC(=O)c4n[nH]cc4[N+](=O)[O-])CCC3)cc2)CC1 1791465188 VNTDMKXNYYHXIL-WKILWMFISA-N 439.516 4.282 5 20 IIBD CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)n[nH]1 1820841403 UBFCMFRQRJUBDG-LJQANCHMSA-N 439.516 4.232 5 20 IIBD O=C(COC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)Nc1cccc([N+](=O)[O-])c1 12683998 RYGYKCSMMWSTNE-UHFFFAOYSA-N 439.038 4.399 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Sc2nnc(NCc3ccccc3)s2)c([N+](=O)[O-])c1 15849308 BZHOKTNSIYJSNQ-GFCCVEGCSA-N 445.526 4.186 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 16196943 HSFBRKQFWHAHOG-SNVBAGLBSA-N 444.387 4.399 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)c1cc(SC)ccc1[N+](=O)[O-] 16197201 KDSWFFYSZMKKMM-LLVKDONJSA-N 438.889 4.471 5 20 IIBD COc1ccc(CNc2nnc(SCC(=O)Nc3c(C)cccc3[N+](=O)[O-])s2)cc1 16324145 IJVXJIFYBRDMQZ-UHFFFAOYSA-N 445.526 4.106 5 20 IIBD CSc1ccc(NC(=O)[C@H](C)OC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 24184665 YGJYVPPEUDOFNX-HNNXBMFYSA-N 443.525 4.104 5 20 IIBD C[C@@H](OC(=O)c1ccc(COc2ccc(F)cc2)o1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 24284138 ZRBRZKRIVLPWEN-GFCCVEGCSA-N 446.362 4.229 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 26119331 QHYWNWBYYWWQLC-INIZCTEOSA-N 439.449 4.092 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 26225600 HHMXELIBRPUQRG-UHFFFAOYSA-N 439.299 4.109 5 20 IIBD COc1ccc(C(=O)O[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)c(O)c1 28611102 ZIATURVMJUPARN-OAQYLSRUSA-N 436.420 4.154 5 20 IIBD O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 29902796 AUVLOALGHKZZBN-UHFFFAOYSA-N 441.753 4.022 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(Cl)c(I)c1 46747728 DFBSWYFDMPUYIQ-UHFFFAOYSA-N 430.629 4.125 5 20 IIBD COc1ccc(OC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)c([N+](=O)[O-])c1 105228103 LNUBSFXCDQGERX-UHFFFAOYSA-N 434.857 4.440 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cccc(NC(=O)OCC(C)C)c2)cc([N+](=O)[O-])c1 108991345 PLNFUYRENPQQRN-UHFFFAOYSA-N 429.429 4.228 5 20 IIBD C[C@@H](OC(=O)/C=C\c1ccccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 206966239 PMMBBHJIBLKCLA-DHHDDZJSSA-N 426.322 4.336 5 20 IIBD COc1ccc([C@@H](Nc2c(F)cc([N+](=O)[O-])cc2F)c2cccc(S(C)(=O)=O)c2)cc1 301764837 CPZYRBVPTQRTNI-HXUWFJFHSA-N 448.447 4.487 5 20 IIBD O=C(Nc1nc(-c2cccs2)cs1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303411208 AFKFVWLXKIABMJ-LLVKDONJSA-N 434.524 4.085 5 20 IIBD COc1cc(C(=O)Nc2ccc(I)cc2Cl)ccc1[N+](=O)[O-] 317924051 KQGMONZCCGKQFP-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCCc2c1[nH]c1ccc(Br)cc21 425982280 QQVSTXMZMRAXOB-HNNXBMFYSA-N 429.274 4.228 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)[C@H](c1ccc(Cl)cc1)c1cnccn1 426863384 YCMQVQRJQXFZLS-OAQYLSRUSA-N 425.876 4.007 5 20 IIBD COc1ccccc1[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccco1 426958740 CJHLAQRMIMZNHT-HSZRJFAPSA-N 435.480 4.319 5 20 IIBD CCN(CC)CCOc1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 429917802 BOLBQMKUOIIINV-UHFFFAOYSA-N 436.306 4.330 5 20 IIBD CN(CCOc1cccc(CNc2ccnc3c([N+](=O)[O-])cccc23)c1)C1CCOCC1 432350091 XIOSDFYGTAQCMS-UHFFFAOYSA-N 436.512 4.245 5 20 IIBD CC(C)CCO[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br 436263620 TUTMYXOFIUKLTG-QZTJIDSGSA-N 442.354 4.259 5 20 IIBD O=C1NCCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)[C@H]1c1cccs1 438488237 CLAURXKSGZZWMH-IBGZPJMESA-N 438.465 4.154 5 20 IIBD CCn1ncc2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3C(=O)c3ccccc3)c(C)nc21 440443151 ITJHEMZIRCAFOO-UHFFFAOYSA-N 429.436 4.151 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1)c1cccc([N+](=O)[O-])c1 441706429 XEBPKXBSULTCDV-GFCCVEGCSA-N 426.498 4.318 5 20 IIBD O=C(Nc1ccc(O[C@H]2CCOC2)cc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444085826 MUWWXCWDHKGVQW-KRWDZBQOSA-N 436.414 4.380 5 20 IIBD C[C@H]1C[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCN1Cc1ccccc1 444163925 DFSSMTCFJFJUPL-RXVVDRJESA-N 425.532 4.464 5 20 IIBD CC(C)(C)c1nsc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])cnc3N)cc2Cl)n1 444529675 SOTOEXBEYQXFBJ-UHFFFAOYSA-N 448.892 4.419 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 445156037 GYZDQXMSWZPZDA-DOTOQJQBSA-N 426.256 4.032 5 20 IIBD CCc1ccc(NC(=O)Cc2noc(-c3cc(Br)c(C)c([N+](=O)[O-])c3)n2)cc1 445314654 IDSYTNNTWNYGEL-UHFFFAOYSA-N 445.273 4.459 5 20 IIBD C[C@]1(c2ccc(Cl)s2)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1=O 448097879 RISWXAVCOXAAIL-OAHLLOKOSA-N 433.795 4.296 5 20 IIBD C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1ccc(Br)cc1OCCCO 461994207 JJXSKNZLJCSVJU-JTQLQIEISA-N 430.686 4.340 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H]2CCO[C@H](C3CC3)C2)cc1[N+](=O)[O-] 462156315 BTXPLYWTAWOSPA-JXFKEZNVSA-N 440.521 4.235 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@H]1CCO[C@@H](c2ccccc2)C1 462917577 VTBDDEIFFARZEB-QFBILLFUSA-N 437.418 4.452 5 20 IIBD C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1=O 463767749 GIRFQGVSJOKOSW-FQEVSTJZSA-N 444.806 4.010 5 20 IIBD COc1cc(CNc2ccc(CC(=O)N3CCc4ccccc43)cc2)c([N+](=O)[O-])cc1F 464087369 KATISSDJSXJJDG-UHFFFAOYSA-N 435.455 4.486 5 20 IIBD CC(C)(CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(Cl)c(Cl)c1 465164377 KDHVZFMNPVOAMB-UHFFFAOYSA-N 439.295 4.309 5 20 IIBD COc1cc(CCNC(=O)N2CCCC[C@@H]2c2ccc(C)cc2)c([N+](=O)[O-])cc1OC 465597182 KZXXNKVNYOJFAM-LJQANCHMSA-N 427.501 4.400 5 20 IIBD COc1ccc(-c2cncc(C(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)c2)cc1 466234057 IGOXJAKZMNDODW-UHFFFAOYSA-N 433.464 4.349 5 20 IIBD Cc1sc(S(=O)(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1[N+](=O)[O-] 467404343 YOAKBKFPLJMSKW-MRXNPFEDSA-N 426.566 4.424 5 20 IIBD C[C@@H](Nc1ccccc1O[C@H]1CCOC1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 469881020 MXJWTBXHCQQQPI-OCCSQVGLSA-N 439.390 4.220 5 20 IIBD Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 470265676 GQLKZWUMBLJEJV-AMGIVPHBSA-N 426.516 4.500 5 20 IIBD O=C(COc1c(Cl)cccc1[N+](=O)[O-])NCc1cccc(COCc2ccco2)c1 471300605 JZXCDBOSHQKWPD-UHFFFAOYSA-N 430.844 4.253 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(C)cc2-c2nc(C3CC3)no2)c([N+](=O)[O-])cc1OC 471636866 OUPRXZKKBQDSKA-UHFFFAOYSA-N 438.440 4.490 5 20 IIBD COCCC1(CNC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CCC1 472190298 OJDRJAMVYMMWTL-UHFFFAOYSA-N 442.537 4.484 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1I 474114755 HGLFXUFOXWVQBU-UHFFFAOYSA-N 431.617 4.175 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)C[C@@H](O)COc1ccccc1C(F)(F)F 475650907 NXQZCCQVMMSLDE-CQSZACIVSA-N 441.406 4.134 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3ccc4ccc(Cl)cc4n3)CC2)ccc1[N+](=O)[O-] 477351948 PGAVCAKGJHHPNL-UHFFFAOYSA-N 440.887 4.158 5 20 IIBD O=[N+]([O-])c1cc(I)ccc1Oc1ncnc2cc(F)c(F)cc12 480328873 PADOESNPSZNWNP-UHFFFAOYSA-N 429.120 4.213 5 20 IIBD CC(=O)c1cccc(C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)c1 480524758 IKUZBDWJCLGZRX-UHFFFAOYSA-N 449.532 4.484 5 20 IIBD CCc1c(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)cnn1-c1cccc(Cl)c1 482727147 BNKUBEFGBCVGBR-UHFFFAOYSA-N 428.832 4.035 5 20 IIBD Cc1c(CNC(=O)Nc2cccc(CS(=O)(=O)c3ccccc3)c2)cccc1[N+](=O)[O-] 484110772 OAHWEVQYKBIBLP-UHFFFAOYSA-N 439.493 4.199 5 20 IIBD CSc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)N2CCc3sccc3C2)cc1 484679372 IFPJISBJCIMTSG-IBGZPJMESA-N 442.566 4.236 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)c2nnn(Cc3ccc(C(F)(F)F)cc3)c2C)cc1[N+](=O)[O-] 485739736 BMWIFUBBIZECEM-CYBMUJFWSA-N 447.417 4.361 5 20 IIBD Cn1cc(CCNC(=O)c2sc(Br)cc2[N+](=O)[O-])c2ccc(F)cc21 485768841 UWPBWUMUJIWLBG-UHFFFAOYSA-N 426.267 4.022 5 20 IIBD COc1ccc(CSCC(=O)NC[C@@H](c2ccccc2)C(F)(F)F)cc1[N+](=O)[O-] 485789170 GKNHSYMUWXYHQS-HNNXBMFYSA-N 428.432 4.299 5 20 IIBD COc1ccc(-c2csc3ncnc(N4CCC(n5ccc([N+](=O)[O-])n5)CC4)c23)cc1 486019681 WTCHVANXXVCKKE-UHFFFAOYSA-N 436.497 4.313 5 20 IIBD C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CCO[C@@H](c2ccccc2)C1 486138903 RDBNURZMNBMKIK-MGPUTAFESA-N 438.509 4.119 5 20 IIBD CSc1cccc(C(=O)N2C[C@@H](CC(=O)N(C)C)c3cc(Cl)ccc32)c1[N+](=O)[O-] 486231643 PNMZNSQBIFMYOJ-GFCCVEGCSA-N 433.917 4.192 5 20 IIBD CCN(C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[C@@H](C)CS(=O)(=O)CC 487787378 UQYKJBWXUBUSDH-HNNXBMFYSA-N 436.555 4.031 5 20 IIBD CCOC(=O)[C@@H]1CCCc2sc(NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)nc21 493533602 CGRCCPKCHMEILG-SMDDNHRTSA-N 435.527 4.154 5 20 IIBD COC(=O)c1cc(C(=O)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)cc([N+](=O)[O-])c1 493573090 NOMXELRNSFNMEU-AWEZNQCLSA-N 448.300 4.016 5 20 IIBD COC(=O)c1ccc(N2CCCC2)c(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 494267682 IOXRFHCZZVCNGW-UHFFFAOYSA-N 438.484 4.178 5 20 IIBD COc1ccc(CNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(OC)c1 496914884 KWXLTFDUHDPISD-UHFFFAOYSA-N 430.404 4.039 5 20 IIBD CC(C)Cn1ncc2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3C(=O)c3ccccc3)cnc21 498319382 LWROXOQNIZMLCE-UHFFFAOYSA-N 443.463 4.479 5 20 IIBD C[C@@H](c1nnc(SCC(=O)c2ccc([N+](=O)[O-])cc2)n1-c1ccc(Cl)cc1)N(C)C 501709159 LJCMDIWRUIQAIS-ZDUSSCGKSA-N 445.932 4.427 5 20 IIBD C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2I)C[C@H]1c1ccccc1 501765868 MTKMDCBERTWNEF-YJBOKZPZSA-N 436.249 4.123 5 20 IIBD Cc1c(C(=O)Nc2nc3ccccc3n2-c2ccccc2)nnn1-c1cccc([N+](=O)[O-])c1 502068680 BMMVVZSUHAHYTO-UHFFFAOYSA-N 439.435 4.075 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1 502213289 JDFPAHKOULRCLT-UHFFFAOYSA-N 429.476 4.131 5 20 IIBD Cc1ccc(CCN(Cc2ccco2)S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)cc1 503447785 NVNDKWDPANIFPC-UHFFFAOYSA-N 428.510 4.113 5 20 IIBD COc1ccc([C@H](NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C(F)(F)F)cc1 505405260 XFNDBXMACCQVRX-HWPZZCPQSA-N 432.782 4.444 5 20 IIBD C[C@H](Oc1ccccc1NC(=O)C(=O)N(C)CCc1ccccc1[N+](=O)[O-])c1ccccc1 506745055 UTWZDGIRHJJJGF-SFHVURJKSA-N 447.491 4.374 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCN(CCCc2ccccc2)CC1 507116257 DHNUHMKCRHQICK-LJQANCHMSA-N 427.570 4.243 5 20 IIBD Cc1ccc(-c2csc(CS(=O)(=O)Cc3cc([N+](=O)[O-])cc4c3OCOC4)n2)cc1 507801474 LKMYDRDPMZHDBM-UHFFFAOYSA-N 446.506 4.008 5 20 IIBD CCCCn1nccc1NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 509890400 OWYKCGIPZVNHQB-UHFFFAOYSA-N 445.526 4.381 5 20 IIBD COc1cccc(NC2CCN(C(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)CC2)c1 511600661 VCCWOVZIQVUADQ-UHFFFAOYSA-N 448.317 4.391 5 20 IIBD Cc1oc(C(N)=O)cc1-c1csc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n1 513669735 OQNTXRBMLLJMSQ-UHFFFAOYSA-N 428.451 4.186 5 20 IIBD COc1cc(Oc2ccccc2)ccc1NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 513807007 UAAVEHNFRKAGGV-UHFFFAOYSA-N 442.449 4.052 5 20 IIBD COc1ccccc1-c1nc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)n[nH]1 515195469 SXWPHDMTPXCPRW-UHFFFAOYSA-N 430.424 4.384 5 20 IIBD Cc1ccc(-c2nnc(NCc3cc(I)cc([N+](=O)[O-])c3)o2)s1 516124790 ZIDUWHWFMSQLBX-UHFFFAOYSA-N 442.238 4.231 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1(c2ccc(Br)cc2)CCCC1 517060189 GLHHXDAOKCHCEI-UHFFFAOYSA-N 446.301 4.190 5 20 IIBD COC(=O)c1cc(-c2nc(-c3cccc(OCc4cccnc4)c3)no2)cc([N+](=O)[O-])c1 518341252 IMEKXWHBXSSDMH-UHFFFAOYSA-N 432.392 4.072 5 20 IIBD C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 518867244 RUMCRHYUMDMMTC-RBSFLKMASA-N 429.439 4.013 5 20 IIBD CCc1ccc2c(c1)[C@H](CCNC(=O)c1csc(-c3ccc([N+](=O)[O-])cc3)n1)C(=O)N2 520358439 FUESNDAZBRDVMU-INIZCTEOSA-N 436.493 4.137 5 20 IIBD O=C(NCCCC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 525105324 FBLHLCUNVWOVMS-FQEVSTJZSA-N 433.917 4.032 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)c3cccnc23)c(Br)c1 532610362 PMRFDAPHRSXAKC-UHFFFAOYSA-N 442.678 4.360 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@H](c2nc3ccccc3s2)C1 533013153 ZRNYFXJQGXBVNS-HNNXBMFYSA-N 438.509 4.382 5 20 IIBD Cc1sc2nc(CS[C@H](C)C(=O)N(C)c3cccc([N+](=O)[O-])c3)nc(O)c2c1C 533146668 LBYUVNJTWJKFFU-GFCCVEGCSA-N 432.527 4.207 5 20 IIBD CSc1ccc(Cl)c(C(=O)NCCCNc2ncnc3ccc([N+](=O)[O-])cc23)c1 536093789 BJBQIBJULDQVNB-UHFFFAOYSA-N 431.905 4.145 5 20 IIBD COc1ccc(C[C@@H](C)CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 536493836 ZKWNOFGOIVHWGY-KGLIPLIRSA-N 436.892 4.028 5 20 IIBD CC(C)(C)c1ccc(C(=O)Nc2cc3c(cc2Br)NC(=O)CO3)cc1[N+](=O)[O-] 537457370 LXPYNJHUECCKRI-UHFFFAOYSA-N 448.273 4.238 5 20 IIBD CCCCS(=O)(=O)Nc1ccc(NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 537729368 KUGZPQDMZURFCV-UHFFFAOYSA-N 443.529 4.149 5 20 IIBD O=[N+]([O-])c1ccccc1/C=C\CNC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 538396719 WJBRKVJKJHEMOR-OMUFJYGLSA-N 435.446 4.290 5 20 IIBD Cc1ccc(C(=O)C2CCN(S(=O)(=O)c3cc(C)cc([N+](=O)[O-])c3C)CC2)c(C)c1 541820095 QXNOJESFXBDYTF-UHFFFAOYSA-N 430.526 4.112 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H](CO)Cc1c(F)cccc1Cl 542406569 XNDPTSMCQFQTPW-NSHDSACASA-N 447.315 4.100 5 20 IIBD COc1cc(Br)ccc1CCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 543170038 DQESXPODKZRFOC-UHFFFAOYSA-N 427.682 4.382 5 20 IIBD CCc1ccc([C@H](c2cccnc2)N(CC)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1 544713887 PZMKYZPAWYUQFL-HSZRJFAPSA-N 439.537 4.494 5 20 IIBD O=[N+]([O-])c1ccc(C(F)(F)c2nc(-c3ccc(I)cc3)no2)cc1 546342803 IKHSCRFVXBERFA-UHFFFAOYSA-N 443.147 4.390 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])c(C)cc1Br 552411959 CIIDOMFHGDLJEX-UHFFFAOYSA-N 439.287 4.427 5 20 IIBD COC(=O)CCc1ccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 552466563 GETKFDSCBYQOAA-UHFFFAOYSA-N 442.415 4.450 5 20 IIBD C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 553779211 RYWMAFZYYZXAOK-ZDUSSCGKSA-N 438.402 4.017 5 20 IIBD Cc1[nH]c2ccccc2c1C1CCN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CC1 555415302 NQGQCRMSANZWFK-UHFFFAOYSA-N 442.541 4.019 5 20 IIBD Cc1cc(=O)c(C(=O)N2CCC[C@@](C)(c3ccccc3)CC2)nn1-c1ccccc1[N+](=O)[O-] 561074278 QSKUHPJKUCISLU-RUZDIDTESA-N 446.507 4.033 5 20 IIBD C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)c2ccccc12 561629958 ZDLIJRHQVYSNCG-UGSOOPFHSA-N 441.484 4.431 5 20 IIBD CCc1[nH]nc(C(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)c1[N+](=O)[O-] 566996987 QIASMJJYNBCGEB-UHFFFAOYSA-N 449.254 4.087 5 20 IIBD CCOCc1nc([C@@H](C)NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)no1 569866389 HLRPXHHQLJVSJD-MRXNPFEDSA-N 448.483 4.218 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(-c3ccccc3CN3CCCCC3)no2)c1N1CCOCC1 572882413 ROAGYLCUNXNVAX-UHFFFAOYSA-N 449.511 4.134 5 20 IIBD O=C(Nc1cc(C(F)F)ccc1Cl)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 573261326 TWPLSKUGZXXWIB-GFCCVEGCSA-N 429.832 4.491 5 20 IIBD O=C1CCCc2c(cccc2OCc2cc(I)cc([N+](=O)[O-])c2)N1 574441550 VQSMQJZZNAODDJ-UHFFFAOYSA-N 438.221 4.053 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 580488626 YWBJCXGXJHHERD-UHFFFAOYSA-N 431.452 4.399 5 20 IIBD CCOC(=O)c1c(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])sc(C)c1C 585698459 GVLLUSLKCGFCCY-UHFFFAOYSA-N 444.412 4.312 5 20 IIBD CN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cc(I)cc([N+](=O)[O-])c1 602756106 FWDWVNWAKBRYFQ-AWEZNQCLSA-N 443.628 4.049 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 603568946 CXBOLEJHWWCMQU-GOSISDBHSA-N 436.295 4.165 5 20 IIBD C[C@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1cccc([N+](=O)[O-])c1 603966275 KDIKXTKSTONQTJ-KRWDZBQOSA-N 431.492 4.478 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 604080133 UQMGPZWVRCMRON-UHFFFAOYSA-N 438.415 4.317 5 20 IIBD O=C(Nc1ccc(-c2ccccc2)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 604468212 UKDNJTKRXQHUGW-UHFFFAOYSA-N 436.493 4.313 5 20 IIBD COc1cc([C@H](C)NC(=O)NCc2cccc([N+](=O)[O-])c2)ccc1OCc1ccncc1 604474172 WYKGCRONHAHQJR-INIZCTEOSA-N 436.468 4.138 5 20 IIBD CCCCC(=O)N1CSC[C@H]1C(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 609055700 QFDJVTWJOUYXIM-INIZCTEOSA-N 434.543 4.057 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCCCN1Cc1cccc(Cl)c1 609471410 FYHJLDHGMYZLOZ-HXUWFJFHSA-N 430.936 4.444 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1 609730516 PZEDLOZPCRPZGY-NDEPHWFRSA-N 440.518 4.116 5 20 IIBD C[C@H](SCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1nc(-c2cccs2)no1 609770137 YKXKVSCUYRVTAH-NSHDSACASA-N 432.483 4.499 5 20 IIBD Cc1cc(C(=O)Nc2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)cc([N+](=O)[O-])c1 609789051 FGZCBZRPIKGTDY-UHFFFAOYSA-N 431.514 4.109 5 20 IIBD O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CC[C@H](CN2CCCC2)C1 610069781 VMQOURNHIUEIAK-QGZVFWFLSA-N 442.947 4.418 5 20 IIBD COc1cc(C(C)=O)ccc1OCCCC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 610210320 IUTINBICSCTZTF-QFIPXVFZSA-N 444.509 4.239 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CCN(Cc2cccc(O)c2)CC1 611202830 OOPZSPDVTCSYMD-UHFFFAOYSA-N 441.553 4.293 5 20 IIBD O=C(c1cnc2ncc(Br)cc2c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 614841444 BVLAECZYMMOTHN-GOSISDBHSA-N 445.298 4.188 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)N1CCc2[nH]c3c(Br)cccc3c2C1 617282367 UFYCZKIICRMPAU-UHFFFAOYSA-N 430.258 4.046 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H](C)Sc2ccc(Cl)cc21 619507408 OFWJEPQQAAVOBS-NSHDSACASA-N 428.919 4.336 5 20 IIBD NC(=O)CCc1nnc(SCc2nc3ccccc3c3ccccc23)n1Cc1ccco1 623423169 XMWFIJINXQPNQR-UHFFFAOYSA-N 443.532 4.331 5 20 IIBD C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1c(Cl)cccc1Cl 726155660 NVLZNCWXFSBSPK-ZDUSSCGKSA-N 438.311 4.272 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl 727245117 UUTYDCPYCMOURG-UHFFFAOYSA-N 445.259 4.086 5 20 IIBD COc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1Br 728251617 UDCZWUNHRDNZKY-SNVBAGLBSA-N 438.234 4.074 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Oc2ccc(NC(=O)c3ccsc3)cc2)cc1C 728935915 YTIPVQGVTYAAMY-UHFFFAOYSA-N 432.479 4.293 5 20 IIBD Cc1cc(COc2ccc(/C=C3/N=C(c4cccc([N+](=O)[O-])c4)OC3=O)cc2)oc1C(=O)O 729944536 ICJZGDXNVVWYMV-VXLYETTFSA-N 448.387 4.118 5 20 IIBD O=C(OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1cc2c(F)cccc2s1 730703907 PZQFEIXCTXAECF-CYBMUJFWSA-N 428.441 4.410 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1csc(CNC(=O)OC(C)(C)C)n1 732731992 UTCMSMVJSZTNPE-UHFFFAOYSA-N 440.909 4.002 5 20 IIBD O=C(OCc1nc(C2CC2)no1)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 733388785 ZZABKMACUBIQDX-UHFFFAOYSA-N 427.800 4.097 5 20 IIBD O=C(OCc1c(Cl)ccc2cccnc12)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 733558802 NDCRNVFCFIOAPW-HNNXBMFYSA-N 445.884 4.206 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)COc2cccc(C=O)c2)c2ccccc2)c([N+](=O)[O-])c1 733593450 AVYDVROFCHGQHP-HSZRJFAPSA-N 448.431 4.018 5 20 IIBD O=C(O[C@H]1CCCN(c2cccc(F)c2)C1=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 734580524 BNQXHJQSKJHQCT-SFHVURJKSA-N 441.440 4.210 5 20 IIBD O=C(Oc1ccc2ccc(=O)oc2c1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 735991361 SEFJMRRVMSNGJJ-UHFFFAOYSA-N 446.202 4.413 5 20 IIBD O=C(Nc1cccnc1)c1ccc(OC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 742587123 JSWLLYAVNQVRMV-UHFFFAOYSA-N 431.326 4.480 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)c1ccc(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 743267587 VTXPNUTURQGJLM-LBPRGKRZSA-N 439.465 4.120 5 20 IIBD O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C/c1cc(Cl)ccc1OC[C@H]1CCCO1 743279947 CMPBXAUWCQQGSB-AUUUKSDWSA-N 428.828 4.151 5 20 IIBD CC(C)=CCOc1cccc(C(=O)N(C)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 744035469 NJYHHNNAGYNRPI-UHFFFAOYSA-N 438.889 4.054 5 20 IIBD CC(C)(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)NC(=O)OCc1ccccc1 744317946 FTMKAGVHHAOJRE-UHFFFAOYSA-N 441.484 4.057 5 20 IIBD CCC(CC)NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(C)cs1 744500218 KNFCRFUXZRPWTD-LBPRGKRZSA-N 437.543 4.361 5 20 IIBD O=C(OCc1ncc(-c2cccc(Br)c2)o1)c1cc2c(cc1[N+](=O)[O-])OCO2 744513611 UHCRDWRNDAEHET-UHFFFAOYSA-N 447.197 4.098 5 20 IIBD COc1ccc(OCCOC(=O)C2(c3cccc(Br)c3)CC2)c([N+](=O)[O-])c1 744659319 UWUKTGOSLXLFJE-UHFFFAOYSA-N 436.258 4.020 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)C2(c3cccs3)CCCCC2)c([N+](=O)[O-])c1 745067306 NBJNGTGITYOYCW-CQSZACIVSA-N 432.498 4.437 5 20 IIBD Cc1ccccc1[C@H](C)NC(=O)[C@H](C)OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 747960692 ADGQVTKMFMOOAH-GJZGRUSLSA-N 439.493 4.449 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cc(-c2cccc(Cl)c2)no1 748924080 HOSHBRKJFLIBFM-NSHDSACASA-N 445.815 4.096 5 20 IIBD CCC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1 753065913 MKYQSCIDEPDNHQ-UHFFFAOYSA-N 432.285 4.359 5 20 IIBD COc1cc(OCC(=O)OCc2nc(-c3c(F)cccc3F)cs2)ccc1[N+](=O)[O-] 753473092 JBBZHGJXMNSKQV-UHFFFAOYSA-N 436.392 4.127 5 20 IIBD O=C(COC(=O)c1cccc(Cl)c1[N+](=O)[O-])Nc1nc(-c2ccc(F)cc2)cs1 754832726 OFIIZVNIQSXRCF-UHFFFAOYSA-N 435.820 4.306 5 20 IIBD COCCc1nc2cc(NC(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)ccc2o1 755025948 PIEVUFHFTBDRAW-UHFFFAOYSA-N 435.234 4.331 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 755029320 RDPSQSRRMBJDSU-HNNXBMFYSA-N 448.273 4.498 5 20 IIBD CCCNC(=O)c1ccc(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc1Cl 757210009 UWZIEQNTWAQXTA-UHFFFAOYSA-N 425.272 4.363 5 20 IIBD Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl 757221352 IVXISOOXSSRJOP-UHFFFAOYSA-N 448.932 4.067 5 20 IIBD C[C@@H](c1ccc(F)cc1)N(C)S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] 757744570 LDKRSCBMOUEADH-VIFPVBQESA-N 435.246 4.017 5 20 IIBD COc1cccc(OC)c1Oc1ccc(CNC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])cn1 758421893 IPYWVFZGOUFTPI-UHFFFAOYSA-N 441.415 4.177 5 20 IIBD C[C@H](OC(=O)CCc1cccc(OC(C)(C)C)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 759010742 LJRFGLPVENGTBP-ZDUSSCGKSA-N 449.891 4.324 5 20 IIBD COc1ccc2c(c1)CN(Cn1nc(C)c3cc([N+](=O)[O-])cnc31)[C@@H](c1ccccc1)C2 759150308 XKQUZNHBJZLBNZ-HSZRJFAPSA-N 429.480 4.414 5 20 IIBD CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2c1ccc([N+](=O)[O-])cc1OC(F)F 760581577 XTAGGHGSQQHAIE-BYICEURKSA-N 431.439 4.468 5 20 IIBD Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2Br)ccc1OCCN1CCCC1 760831747 NPWKQIKMJYXNOT-UHFFFAOYSA-N 448.317 4.393 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC=C(c2cccc(Br)c2)CC1 762489205 IBQZJPLMZKNPGO-UHFFFAOYSA-N 430.302 4.353 5 20 IIBD COc1ccc(C2(c3noc(-c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)n3)CCCC2)cc1OC 771606968 CTIPSXCYWPPPAQ-UHFFFAOYSA-N 440.412 4.430 5 20 IIBD COc1ccc2[nH]cc(C3=CCN(S(=O)(=O)c4cc(C)c(F)c([N+](=O)[O-])c4)CC3)c2c1 771731086 ITPFGTHFCYHWJT-UHFFFAOYSA-N 445.472 4.010 5 20 IIBD C[C@H](OC(=O)c1cnc(Oc2ccccc2)cn1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 773674405 SLVKKSWCHZGQMY-LBPRGKRZSA-N 442.815 4.015 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](Sc1nc2cncnc2[nH]1)c1ccccc1 775235050 RFGBCBQPHCFCOM-MRXNPFEDSA-N 440.872 4.387 5 20 IIBD C[C@H]1C[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCN1C(=O)OC(C)(C)C 775239475 ZHWONIRAOMUKCQ-RDJZCZTQSA-N 432.521 4.057 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 775694183 UEOMKBPYIYGZRA-VQIMIIECSA-N 430.505 4.423 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1CC(=O)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776138562 MRIVLQYEERJNTH-FQEVSTJZSA-N 448.401 4.241 5 20 IIBD Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)C2)cc1 778256653 YCPJZNHQLRFNRL-MRXNPFEDSA-N 446.454 4.055 5 20 IIBD COC(=O)[C@](C)(COC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 783140471 GIQJFWJAOANMHU-OAQYLSRUSA-N 426.450 4.006 5 20 IIBD O=[N+]([O-])c1cc(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)ccc1Br 783596412 XDEDIVVALXQTSZ-LBPRGKRZSA-N 433.228 4.410 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1nnc(-c2cccc(Cl)c2)o1 784448539 ROYDQDBYZYVEKU-LLVKDONJSA-N 449.872 4.301 5 20 IIBD CCN(C(=O)[C@H](C)OC(=O)c1sc(Br)cc1[N+](=O)[O-])C1CCCCC1 785033701 ZZNTWDCHYCNDRO-JTQLQIEISA-N 433.324 4.145 5 20 IIBD CCOc1c(Cl)cc(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])cc1OC 790544860 WMEABFVEWLIWQS-UHFFFAOYSA-N 431.247 4.307 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c(Cl)c1 790744573 GYABTBSVYWEYBJ-SNVBAGLBSA-N 429.231 4.462 5 20 IIBD CC1(c2ccc(Cl)cc2)CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 791834678 NLYMZTQEASGPLY-UHFFFAOYSA-N 443.931 4.279 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)C[C@@H]2CCCC[C@H]2O)c2ccccc2)c([N+](=O)[O-])c1 796136287 RNOFKMJJBNKFTK-WEYGHZABSA-N 426.469 4.067 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2cc(C(F)(F)F)ccc2Br)cc1 798422508 GRVGYRJCCFSENV-UHFFFAOYSA-N 426.166 4.144 5 20 IIBD COC(=O)c1sccc1COC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 801238703 NSFJZXHBWHLEHH-CYBMUJFWSA-N 441.465 4.368 5 20 IIBD O=[N+]([O-])c1ccc2oc(CN3CCC(O)(c4cccc(OC(F)(F)F)c4)CC3)nc2c1 801543603 FWNQJPRVLWMFQQ-UHFFFAOYSA-N 437.374 4.118 5 20 IIBD CCOCN(C(=O)COC(=O)c1cc([N+](=O)[O-])cc(C)c1F)c1c(C)cccc1CC 803462728 QHJKSUWDSLJFSY-UHFFFAOYSA-N 432.448 4.097 5 20 IIBD CNc1ccc(Cl)c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 808609770 HILIOLKNBCURGH-SECBINFHSA-N 445.781 4.493 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Oc1c(Cl)cc(Cl)c2cccnc12 809852699 IKGRQBQRHXFMEH-UHFFFAOYSA-N 429.237 4.226 5 20 IIBD Cc1cc(Br)cn2cc(CNC(=O)Nc3cccc([N+](=O)[O-])c3Cl)nc12 809922475 PVSZVIKSYZDETR-UHFFFAOYSA-N 438.669 4.289 5 20 IIBD COc1ccc([C@H](O)C2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC2)cc1 812630972 IJIXQOJFTDSLHZ-NRFANRHFSA-N 426.494 4.404 5 20 IIBD CCNc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)c3ccccc32)cc1[N+](=O)[O-] 813280376 NYRVPPVGKQBANS-UHFFFAOYSA-N 426.473 4.429 5 20 IIBD N=c1cc[nH]c(-c2noc(-c3cccc(Sc4ccc(Cl)cc4)c3[N+](=O)[O-])n2)n1 813351564 AGJHKLIISVVVQI-UHFFFAOYSA-N 426.845 4.319 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC[C@H]21 816999206 VLVOQYQKBWVHGR-SWLSCSKDSA-N 443.422 4.085 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(OCc2cn3ccccc3n2)c1 820002410 PRESZHBTFQCBQR-UHFFFAOYSA-N 432.436 4.473 5 20 IIBD O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 912660196 XJEBNCAOZXCYNJ-UHFFFAOYSA-N 442.686 4.153 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N(Cc2cccc(Br)c2)C2CC2)cc1[N+](=O)[O-] 914437040 AOCCGRKBFMHBMU-UHFFFAOYSA-N 434.246 4.379 5 20 IIBD Cc1nn(-c2ccccc2)c(Cl)c1C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 914888611 HYJHYLCAZNFCHG-UHFFFAOYSA-N 439.815 4.149 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)n1Cc1ccccn1 914903152 GWTSUTULEQQGQK-INIZCTEOSA-N 447.451 4.424 5 20 IIBD CCN(Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1)C(=O)C(F)(F)F 915043127 KLBCYMFKESPHIJ-UHFFFAOYSA-N 429.782 4.411 5 20 IIBD C[C@H](CCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)CC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 915827665 DXDXLALIMDXAQF-LLVKDONJSA-N 436.371 4.165 5 20 IIBD COc1cc(OC)c(C2CCN(C(=S)Nc3ccc([N+](=O)[O-])cc3)CC2)c(OC)c1 916006898 LVMIIVUQEHQNCB-UHFFFAOYSA-N 431.514 4.197 5 20 IIBD C[C@H](c1cc2ccccc2o1)N(C)C(=O)COC(=O)CSc1ccc([N+](=O)[O-])cc1 919038745 UXGQEUTUPLBNDT-CQSZACIVSA-N 428.466 4.196 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1-c1nnc(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)o1 1322069786 SWGLBYQJSOCSQZ-UHFFFAOYSA-N 439.431 4.378 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCc1ccccc1CNC(=O)OC(C)(C)C 1323122763 ZPXFSLWGSHOOCA-UHFFFAOYSA-N 442.516 4.004 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCCc2ccc(N(C)C)cc2)cc1[N+](=O)[O-])c1ccccn1 1325364415 CWCOGLDUDQMLMB-KRWDZBQOSA-N 433.512 4.201 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cn2)cc1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 1339283299 KCBXOYDBNQXENV-INIZCTEOSA-N 439.859 4.157 5 20 IIBD O=C(Cc1cc([N+](=O)[O-])ccc1F)Nc1ccc(C2(NC(=O)[C@@H]3CC3(F)F)CCC2)cc1 1786671176 PKKGDXGJPAHAQZ-KRWDZBQOSA-N 447.413 4.066 5 20 IIBD CC(F)(F)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])CCC2)cc1 1787936621 TZOYXXGAMIYQQU-KPKJPENVSA-N 429.423 4.397 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@H]3CCCCC3(F)F)CCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 1790184475 VNIVSRSHUKOSKR-MRXNPFEDSA-N 446.454 4.496 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCCC2(CCN(C(=O)c3cc(Cl)ccc3F)CC2)C1 1804641727 GMGBZUPKPKPAAH-UHFFFAOYSA-N 449.866 4.139 5 20 IIBD C[C@@H]1C[C@]1(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1824841768 NWYPBTUEGLTDRD-MOADCYBESA-N 441.572 4.193 5 20 IIBD O=C(C1CCCC1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830614166 MNHSULBWMVFPSV-NRFANRHFSA-N 431.508 4.157 5 20 IIBD Cc1ccc(CC(=O)N2CCCC23CN(C(=O)c2ccc(C(C)C)cc2)C3)cc1[N+](=O)[O-] 1845205818 XZGSCQVXPRIZPJ-UHFFFAOYSA-N 435.524 4.086 5 20 IIBD CC(C)Oc1ccc(C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 9534324 GFCDEHLVCFUZPZ-UHFFFAOYSA-N 426.347 4.196 5 20 IIBD Cc1cc(OCC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)ccc1Cl 11197988 OELBJNCGANXVAC-UHFFFAOYSA-N 446.765 4.136 5 20 IIBD C[C@H](OC(=O)[C@@H]1COc2ccc(Cl)cc2C1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 16797205 ZBSQAZNKLTUXKF-FZMZJTMJSA-N 429.816 4.154 5 20 IIBD COc1ccc([C@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)c2c[nH]c3ccccc23)cc1 18074507 DCQAPLGWGGDQMJ-IBGZPJMESA-N 430.464 4.229 5 20 IIBD Cc1cc(N2CCCC2)ccc1NC(=O)COC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 19125881 QDPSQENCBGYLCT-INIZCTEOSA-N 443.525 4.166 5 20 IIBD CCOc1cc(C(=O)OCc2csc(-c3ccccc3OC)n2)c([N+](=O)[O-])cc1OC 19473527 CZXWOXQKIRJOJN-UHFFFAOYSA-N 444.465 4.491 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2-c2nnc3n2CCCCC3)ccc1Cl 23370939 MCEQRQYVESUMBE-UHFFFAOYSA-N 447.904 4.034 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 23529893 UGAHXJGOGBEGQD-NSHDSACASA-N 442.324 4.479 5 20 IIBD O=C(OCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)c1cccc([N+](=O)[O-])c1 24503991 LFIGMMHWILQDDV-MRXNPFEDSA-N 441.490 4.253 5 20 IIBD Cc1nc(-c2ccc([C@H](C)NC(=O)NCCNc3ccc([N+](=O)[O-])cc3)cc2)cs1 27365833 PSWUCSIKKLNLBE-AWEZNQCLSA-N 425.514 4.499 5 20 IIBD O=C(NCc1cccc(COCc2ccccc2)c1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc12 78777454 GRBQSBOVGQZVRZ-UHFFFAOYSA-N 443.459 4.083 5 20 IIBD Cn1ccnc1C(=O)c1ccc(Sc2nnc(-c3ccccc3Cl)o2)c([N+](=O)[O-])c1 78987806 BPTRTFCGRYNFBM-UHFFFAOYSA-N 441.856 4.414 5 20 IIBD CCCCN1CCC(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 109359580 CVSPTRSUFMGYHI-KRWDZBQOSA-N 425.533 4.157 5 20 IIBD COc1ccc(CSCC(=O)Nc2cccc(C(=O)N3CCCC3)c2C)cc1[N+](=O)[O-] 109724253 QCLZQWNJIBTFOC-UHFFFAOYSA-N 443.525 4.020 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NC[C@@H](C)N2CCc3ccccc32)cc1[N+](=O)[O-])c1ccccn1 195607311 PEBPFLBEGSQPLL-QZTJIDSGSA-N 445.523 4.344 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cc(-c2cccs2)on1 196492617 FWELKDKCRCIVTN-UHFFFAOYSA-N 426.376 4.172 5 20 IIBD COc1ccccc1[C@H](Nc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1)c1nccn1C 301068263 BEWYEWKYZCTWFO-NRFANRHFSA-N 430.468 4.304 5 20 IIBD Cc1cc2nnc(Sc3ccc(C(=O)c4nccn4C)cc3[N+](=O)[O-])n2c2ccccc12 301279505 SUEGETDZLFWQAW-UHFFFAOYSA-N 444.476 4.215 5 20 IIBD O=[N+]([O-])c1ccc(NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)c2ccncc12 301469960 SHKIYNIHWLBKDV-UHFFFAOYSA-N 446.554 4.034 5 20 IIBD COc1ccc([C@H](Nc2c(F)cc([N+](=O)[O-])cc2F)c2cccc(S(C)(=O)=O)c2)cc1 301764836 CPZYRBVPTQRTNI-FQEVSTJZSA-N 448.447 4.487 5 20 IIBD CC(C)(C)c1ccc(N2CCC(Nc3sc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)cc1 301927633 IGSMQRHUKOIRPR-UHFFFAOYSA-N 437.587 4.438 5 20 IIBD CN(Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)C1CCCCC1 302956658 DDJBGBQAKKTKQT-UHFFFAOYSA-N 445.541 4.015 5 20 IIBD Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C 303318944 SXLGZOGBYFUQJS-UHFFFAOYSA-N 447.455 4.218 5 20 IIBD COc1ccc(CN[C@H]2CCCC[C@]2(C)C(=O)O)cc1OCc1ccc([N+](=O)[O-])cc1 426749110 COXWLOOEJVTSLS-GMAHTHKFSA-N 428.485 4.306 5 20 IIBD O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1cc(Br)cc([N+](=O)[O-])c1 431456479 IZDGSZFXKUDUJZ-UHFFFAOYSA-N 432.274 4.236 5 20 IIBD COC(=O)c1ccc(N2CCCC2)c(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c1 432686614 LXPYSFRHZIWMSX-UHFFFAOYSA-N 426.473 4.038 5 20 IIBD CN(Cc1ccccc1NC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccccc1 433661638 QBXDTLCIQWWDRH-UHFFFAOYSA-N 430.468 4.429 5 20 IIBD O=C(NCc1cn2cc(Br)ccc2n1)c1ccc2[nH]c3ccccc3c(=O)c2c1 436160625 ZYGWKHRDAIBTRS-UHFFFAOYSA-N 447.292 4.022 5 20 IIBD O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437217414 JPLOLKHTNFQCAZ-UHFFFAOYSA-N 425.382 4.147 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1C[C@H]1c1c(F)cccc1Cl 437327534 QITGLRRTPCGUJS-IAQYHMDHSA-N 427.657 4.365 5 20 IIBD CC[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(C)(C)c1ccccc1 441027562 CMGPMFVWLHVODW-QGZVFWFLSA-N 435.427 4.007 5 20 IIBD CN(Cc1ncc(-c2ccccc2)[nH]1)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444230757 APXHVDWTTLDFKE-UHFFFAOYSA-N 426.451 4.483 5 20 IIBD Cn1cc(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c(-c2ccccc2)n1 444301414 MEBVQUMTKOTKOU-UHFFFAOYSA-N 444.441 4.290 5 20 IIBD O=C(NCc1ncc(-c2ccccc2)cn1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444314373 ISKHKYCDLAHBRH-UHFFFAOYSA-N 442.425 4.347 5 20 IIBD Cc1nc(COc2ccc(/C=C/c3nc(-c4c([N+](=O)[O-])nc(C)n4C)no3)cc2)cs1 445599918 HOFLJBZCPQMJBV-RMKNXTFCSA-N 438.469 4.201 5 20 IIBD C[C@@H](c1nc(Cc2ccc(F)cc2)no1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 446787466 UJQCADJJMGMZNS-HNNXBMFYSA-N 426.448 4.312 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc([C@@H](C)N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 447505831 GGYHDMIVFMTVLQ-ZHRRBRCNSA-N 431.558 4.354 5 20 IIBD O=[N+]([O-])c1ccc([C@H]2SCCN2S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)cc1 447864811 TVYRRAOOYDXYAX-OAHLLOKOSA-N 436.408 4.189 5 20 IIBD COc1c(F)cc(S(=O)(=O)N2CCC(F)(c3cccc(Cl)c3)CC2)cc1[N+](=O)[O-] 462782492 DIRLGWDROUMXTG-UHFFFAOYSA-N 446.859 4.045 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NC[C@@H](C)C(=O)OC(C)C)c([N+](=O)[O-])c2)c(C)c1 462957146 KSOAWUGHFXHTHL-MRXNPFEDSA-N 449.529 4.012 5 20 IIBD COc1cc(CSc2nnc(-c3cccnc3)n2Cc2ccco2)c([N+](=O)[O-])cc1F 463414641 RZDSGVJYNYGWSZ-UHFFFAOYSA-N 441.444 4.330 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NCc1ccccc1Sc1ccccc1 465125276 DXIDEIDYTRILHF-UHFFFAOYSA-N 436.489 4.376 5 20 IIBD CC[C@@H]1Oc2cc([C@H](C)NC(=O)NCCCCc3ccc([N+](=O)[O-])cc3)ccc2NC1=O 466759204 UNTIKLYQYDPZRR-YWZLYKJASA-N 440.500 4.087 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1 467972715 DUKOCWHZTUGQIE-UHFFFAOYSA-N 439.855 4.338 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C 468165880 UIEFFIYXAXSACG-YJBOKZPZSA-N 428.537 4.153 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1OCCOCC(F)(F)C(F)(F)F 468477791 ZCCPNYDNQKPNHP-UHFFFAOYSA-N 445.138 4.499 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](c1cc(F)cc(Br)c1)C1CC1 469151828 YPSIUFNQXVXBAT-QGZVFWFLSA-N 443.294 4.463 5 20 IIBD NC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)o1 474759675 UMDOWMVOUREDFF-UHFFFAOYSA-N 431.857 4.021 5 20 IIBD CSc1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)cc1[N+](=O)[O-] 475072022 XPMNLIGKGDZXDK-CYBMUJFWSA-N 440.308 4.159 5 20 IIBD C[C@H](c1ccncc1)N1CCC(NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 475191934 RFSPHZXZURUBEY-CYBMUJFWSA-N 437.422 4.356 5 20 IIBD COc1cccc(N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)c1[N+](=O)[O-] 475353439 WHHWOMABYFWXFW-UHFFFAOYSA-N 428.489 4.188 5 20 IIBD CCOc1cc(Br)ccc1N[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 477624101 YDTFQTKJARZZDL-LLVKDONJSA-N 438.278 4.204 5 20 IIBD COC(=O)c1cc(C(=O)N2CC=C(c3ccccc3C(F)(F)F)CC2)cc([N+](=O)[O-])c1 478411486 CUNKRZFHPZDYSD-UHFFFAOYSA-N 434.370 4.330 5 20 IIBD O=C(N[C@@H](C(=O)Nc1ccccc1)c1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 482103710 LKZDAWZQVQUNRE-HSZRJFAPSA-N 444.491 4.305 5 20 IIBD CCOC(=O)c1csc([C@@H]2CCCN2C(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)n1 482946511 LFTDKPMJKXACHS-QAPCUYQASA-N 431.514 4.160 5 20 IIBD COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] 482963800 NOOQOEZEZUBUFE-INIZCTEOSA-N 446.525 4.155 5 20 IIBD C[C@@H](NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1)c1ccc([N+](=O)[O-])cc1 483758999 UVVRVGKYFXNJAJ-OAHLLOKOSA-N 427.482 4.036 5 20 IIBD C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 484367064 IUOJLWZYISJWPN-ZDUSSCGKSA-N 437.481 4.454 5 20 IIBD COC(=O)[C@@H](C)N(C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(Br)cc1C 484817101 RHXVRAYGUVHKFV-LLVKDONJSA-N 439.237 4.013 5 20 IIBD C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(CCCc2nc(-c3cccs3)no2)CC1 485201693 GMQKCAIBAHOSDL-INIZCTEOSA-N 427.530 4.018 5 20 IIBD C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 487001428 QVTUTDYMCOZNFM-CYBMUJFWSA-N 445.932 4.337 5 20 IIBD COc1c(F)cc(S(=O)(=O)Nc2cccc(CSC(C)C)c2C)cc1[N+](=O)[O-] 488234587 RNXLPDAVRCZCDE-UHFFFAOYSA-N 428.507 4.493 5 20 IIBD Cc1nnc(S[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1C(C)C 488260912 DOTYMOHYOBMZCH-NSHDSACASA-N 432.531 4.318 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccccc1OC(F)F 488406720 NGRWNRUCLOPLNZ-LBPRGKRZSA-N 426.441 4.426 5 20 IIBD CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1SCC 489902578 VKCLRRCTIJFBEK-UHFFFAOYSA-N 444.557 4.110 5 20 IIBD COc1cc(OC)c(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1Br 490928689 SSQDEJFJRBOKBW-SECBINFHSA-N 427.226 4.256 5 20 IIBD COc1cc(CNCc2cc(N(C)C)nc3ccccc23)c([N+](=O)[O-])cc1OCC(F)F 493683800 FZIMXBQOOGBRKC-UHFFFAOYSA-N 446.454 4.151 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1c2ccccc2CC[C@H]1n1ccnc1 494550125 UAXKGXJZNBXFBM-DHIUTWEWSA-N 433.512 4.342 5 20 IIBD O=C(NC[C@H](c1cccs1)N1CCCC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 496534189 LVKFCUOTVATDRM-QGZVFWFLSA-N 428.539 4.347 5 20 IIBD CCc1oc2ccccc2c1CN(C)C(=O)c1cc(OC)c(OCCOC)cc1[N+](=O)[O-] 496642791 MILXUNOPHFCIHC-UHFFFAOYSA-N 442.468 4.209 5 20 IIBD COc1ccc(CSCC(=O)N(Cc2cccc(F)c2)C[C@@H]2CCCO2)cc1[N+](=O)[O-] 497047402 LHCZCLVZFDFHPR-IBGZPJMESA-N 448.516 4.184 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ncc(Cc3ccccc3F)s2)cc1OC 500244564 GNDDWPVGNKEQLH-UHFFFAOYSA-N 431.445 4.441 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CCC(OCCC(C)C)CC3)cc2)c(C)c1[N+](=O)[O-] 500545241 MLKOUUYTCKYQFY-UHFFFAOYSA-N 428.533 4.124 5 20 IIBD COc1ccc(-c2nc(C[S@](=O)Cc3cc([N+](=O)[O-])cc4c3OCOC4)cs2)cc1 501287822 ULYQPMVLJFUNKY-SSEXGKCCSA-N 446.506 4.042 5 20 IIBD CC[C@@H](C)n1c(SC[C@@H](O)COc2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1 504792233 BCGVJPLSTIOWFX-QAPCUYQASA-N 428.514 4.356 5 20 IIBD COc1ccc(CN2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn34)C2)cc1[N+](=O)[O-] 506141137 PWEUAMAEVUZLPO-AWEZNQCLSA-N 435.406 4.045 5 20 IIBD Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)nc1 507996949 GFJNPFHICKSMAV-QGZVFWFLSA-N 437.525 4.272 5 20 IIBD COc1cc(C(=O)Nc2ccc3nc(C)oc3c2)c([N+](=O)[O-])cc1OCc1cscn1 509910886 KPTCKGOYXNZKBE-UHFFFAOYSA-N 440.437 4.341 5 20 IIBD C[C@@H](NC(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 509976664 IBODMSWRLQLEQJ-CYBMUJFWSA-N 438.406 4.333 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnn(S(=O)(=O)c3cc(Cl)ccc3C(F)(F)F)c2)c1 510067154 ZLPABGQYSQOWLY-UHFFFAOYSA-N 431.779 4.368 5 20 IIBD CCOc1ccc(C(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] 512533420 DMEGBKPNFUXMNY-IYBDPMFKSA-N 425.485 4.364 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C1(c2ccc(Br)cc2)CCOCC1 512993169 QBFZBLAYWPDYJG-UHFFFAOYSA-N 447.329 4.107 5 20 IIBD COc1ccc(CS(=O)(=O)Cc2ccc(OCc3ccc(F)cc3)cc2)cc1[N+](=O)[O-] 517283980 UDMVXYLHWXHJBU-UHFFFAOYSA-N 445.468 4.437 5 20 IIBD C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 520503319 HWCUQCZRXTZWRO-LLVKDONJSA-N 449.236 4.088 5 20 IIBD CC[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 522542997 CGUQIUSGCYEDCV-HZPDHXFCSA-N 435.933 4.052 5 20 IIBD CN(C)CCn1ccc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1 523717996 QOKSWHZBKVJSHM-UHFFFAOYSA-N 429.864 4.051 5 20 IIBD CNc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1[N+](=O)[O-] 523975165 FKLMTYLBBIKHPM-OAHLLOKOSA-N 441.875 4.360 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(CN3CCOCC3)c2)no1 524638923 GEUFTXNNPHJLKL-OAHLLOKOSA-N 426.498 4.330 5 20 IIBD CC(C)(C)C[C@@H](NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 525097260 QBGRLUPNSKJPOG-LJQANCHMSA-N 446.935 4.341 5 20 IIBD CCCN(C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1)[C@H]1CCCN(Cc2ccccc2)C1 525551595 XNKZQSBVUMYIMX-FQEVSTJZSA-N 441.528 4.129 5 20 IIBD C[C@H](NCc1ccc(N2CCN(C)CC2)nc1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 531989495 ADBAYFZCVSALJR-KRWDZBQOSA-N 437.569 4.321 5 20 IIBD CC[C@H]1CN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)c2ccccc2O1 534301504 XDYGLVVHYXXTEW-AWEZNQCLSA-N 438.221 4.017 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)c1oc2ccccc2c1CSc1ncccn1 534731287 GRBNAMTVFGLIGF-UHFFFAOYSA-N 434.477 4.396 5 20 IIBD O=C(Nc1cnn(-c2cnc3ccccc3n2)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 534747207 XSSQCZJOBMRACD-UHFFFAOYSA-N 443.448 4.100 5 20 IIBD Cc1nc2ccccc2n1C[C@@H]1CCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 535963307 LKUWDMIWHDQGOX-INIZCTEOSA-N 427.892 4.009 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc3[nH]c(-c4cccs4)nc3c2)cc1[N+](=O)[O-] 536183834 KWPWDYZRAWODMF-UHFFFAOYSA-N 430.467 4.009 5 20 IIBD Cc1[nH]c2ccc(Br)cc2c1CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 536253780 QKFDXMKYCZQMSB-UHFFFAOYSA-N 428.246 4.205 5 20 IIBD O=C(Nc1c(F)cc(Cl)cc1F)c1ccc([N+](=O)[O-])cc1I 537148810 WMZSDCFEUZSMBU-UHFFFAOYSA-N 438.555 4.383 5 20 IIBD COc1ccc(NC(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] 541102394 DLBVPTSZPCJNTA-DJJJIMSYSA-N 436.871 4.210 5 20 IIBD CC(C)n1nnnc1-c1ccccc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 541412033 HUSUCXPGTHTTLM-UHFFFAOYSA-N 432.893 4.213 5 20 IIBD Cc1cc(C(=O)NCC(=O)N2CC[C@@H](C)[C@@H]2c2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] 542088296 NLFCZNNQBBWYOA-ZUOKHONESA-N 449.429 4.262 5 20 IIBD COc1ccc2[nH]cc(C3CCN(C(=O)NCc4cc([N+](=O)[O-])ccc4OC)CC3)c2c1 542245296 CUCCDKXLFDKJDU-UHFFFAOYSA-N 438.484 4.183 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 543581399 KVORWHMRQSVZTN-HNNXBMFYSA-N 447.532 4.442 5 20 IIBD CC(=O)NC1(c2noc(-c3ccc(N4C[C@H](C)C[C@@H](C)C4)c([N+](=O)[O-])c3)n2)CCCCC1 545598712 LSZUVSMEEPTFMR-HZPDHXFCSA-N 441.532 4.423 5 20 IIBD CCN(Cc1ccccc1Br)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 545899154 MHYMKJYLEDBOJD-UHFFFAOYSA-N 433.711 4.222 5 20 IIBD CSc1ccc([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 546199872 LQQNMEMTYNOSPS-JTQLQIEISA-N 431.333 4.119 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccn(C)n2)cc1SC 547234948 YVJOBYZOEWKVIB-IBGZPJMESA-N 446.916 4.232 5 20 IIBD COc1ccc(Oc2cc(CN[C@H](c3ccc([N+](=O)[O-])cc3)c3nccn3C)ccn2)cc1 560522075 ZBAJPPNBTGGEQT-HSZRJFAPSA-N 445.479 4.403 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccc(Br)cc1Br 561005655 GZTHURIEMUJHOH-UHFFFAOYSA-N 442.107 4.435 5 20 IIBD C[C@H](CN[C@H](c1ccc([N+](=O)[O-])cc1)c1nccn1C)Oc1cccc(Br)c1 569463546 RBOCJEPUNIPPPA-AUUYWEPGSA-N 445.317 4.237 5 20 IIBD CSc1ccc(-c2nsc(NC(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)n2)cc1 570320006 DSLWDTVDFPJDSZ-UHFFFAOYSA-N 441.498 4.033 5 20 IIBD COc1cnc(N(C)C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])nc1 577141627 JKOIYTLBVXHVGB-UHFFFAOYSA-N 430.873 4.475 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 588790613 ZAKFWVBIRJRGTL-UHFFFAOYSA-N 433.443 4.421 5 20 IIBD C[C@H](Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F)c1ccc(NC(=O)C2CC2)cc1 589104969 IJKPXYYFYDSFSI-AWEZNQCLSA-N 428.464 4.092 5 20 IIBD CN1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2cccc([N+](=O)[O-])c2)CCC3)CC1 590779300 ZTJMAQNNIRVBHA-KNTRCKAVSA-N 442.519 4.408 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cnn(-c2ccccn2)c1C(F)(F)F 603638467 PQEWMBAGJSCTDC-UHFFFAOYSA-N 443.288 4.048 5 20 IIBD CC(=O)Nc1cc(NC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1C 603695496 IETDVTFYRLJXDY-UHFFFAOYSA-N 439.394 4.114 5 20 IIBD Cc1sc(NC(=O)[C@@H](NC(=O)c2cccs2)C(C)C)nc1-c1cccc([N+](=O)[O-])c1 603997017 MTYDMTRUMBUVLA-INIZCTEOSA-N 444.538 4.481 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)N1CCc2[nH]c3c(Br)cccc3c2C1 604363566 JRCWAHVCOWGBDD-UHFFFAOYSA-N 429.274 4.107 5 20 IIBD COc1ccc2c(c1)OC[C@H](C(=O)Nc1nc(-c3ccc(C)c([N+](=O)[O-])c3)cs1)C2 604511471 WMJJLRLJEBOLBP-OAHLLOKOSA-N 425.466 4.225 5 20 IIBD C[C@@H](C[C@@H]1CCCO1)NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 608819955 MKSRWCQNOPAFGL-JTSKRJEESA-N 434.496 4.064 5 20 IIBD C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 608896452 YYNPYEKGPWAAAX-NSHDSACASA-N 426.347 4.181 5 20 IIBD COc1ccc(C[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1OC 608983656 FZOMCSKGJFGMQW-OAQYLSRUSA-N 435.480 4.395 5 20 IIBD CCC[C@@H](Cc1ccccc1)NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 609034090 VQHBXAPVNPLEGJ-KRWDZBQOSA-N 425.514 4.016 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Sc2nncs2)c(Cl)c1 609108049 JKQIQGSQNBLGJD-UHFFFAOYSA-N 442.931 4.360 5 20 IIBD Cc1cc(S(=O)(=O)N(C)CCCCCc2cc(-c3ccccc3)n[nH]2)ccc1[N+](=O)[O-] 609674129 ZMTYBMGPWXZQIK-UHFFFAOYSA-N 442.541 4.327 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N(C)C2CCC(OC)CC2)c([N+](=O)[O-])c1 609675008 NJRPXYIZQMQLBT-UHFFFAOYSA-N 447.557 4.204 5 20 IIBD CCOc1cc(NC(=O)N[C@@H]2CCCN(c3cccc(F)c3)C2)c([N+](=O)[O-])cc1OCC 609711334 HMNONARBFAANTA-MRXNPFEDSA-N 446.479 4.322 5 20 IIBD COc1cc(F)c([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1OC 610045446 KADHLSYZDHYCIX-SECBINFHSA-N 427.226 4.005 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCCO[C@H](c2ccccc2)C1 610262969 PLBHUIGMUAGILP-INIZCTEOSA-N 431.297 4.054 5 20 IIBD O=C(Nc1nnc(Cc2ccc(F)cc2)s1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 610292646 VHPIXKJRMVQRSU-UHFFFAOYSA-N 426.351 4.447 5 20 IIBD O=C(NCCc1ccc(-c2ccccc2)cc1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 610831681 FAVCZRHNOVXKOM-HXUWFJFHSA-N 449.532 4.287 5 20 IIBD COc1ccccc1-n1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O 612410009 OTROVZWUQXJXCA-UHFFFAOYSA-N 447.472 4.278 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674471864 JPFDCBJABWIQHQ-GASCZTMLSA-N 442.359 4.354 5 20 IIBD Cc1ccc(N(C)C(=O)c2ccccc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 725742096 GZTKBTLHMVGKOV-UHFFFAOYSA-N 439.493 4.289 5 20 IIBD COc1cccc(NC(=O)[C@H](OC(=O)c2ccc([N+](=O)[O-])c(OC)c2)c2ccccc2)c1 725948522 OVOPBWABEASQSM-OAQYLSRUSA-N 436.420 4.149 5 20 IIBD O=C(COC(=O)C1(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] 727559606 QNILALPPICZKRR-UHFFFAOYSA-N 442.777 4.481 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)C1CCN(C(=O)c2ccc(Cl)s2)CC1 727712237 TVKQQXKLKVVUNX-UHFFFAOYSA-N 428.297 4.454 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCc1ccc(Br)cc1F 730974618 USXCOAPDPAPGSU-SNVBAGLBSA-N 445.672 4.276 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)c([N+](=O)[O-])c1 731276526 MTKVIRJDULMZEM-PNHOKKKMSA-N 434.448 4.431 5 20 IIBD CCc1c(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)nnn1-c1cccc(Cl)c1 731455036 ZWJYZGYCECADRA-UHFFFAOYSA-N 434.283 4.317 5 20 IIBD Cc1cccc(CNC(=O)COc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)c1 732193197 FZEQNBYCLAYFKN-UHFFFAOYSA-N 444.443 4.372 5 20 IIBD COc1cc(CNCc2cccc3c2OCCO3)c([N+](=O)[O-])cc1OCc1ccccc1 733331712 QNXKQCRETJXEEL-UHFFFAOYSA-N 436.464 4.243 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(C(F)(F)F)cc2)c(Br)c1 738403375 KTHMSOZKWZLDJR-UHFFFAOYSA-N 426.166 4.144 5 20 IIBD Cc1cc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1OCC(F)(F)F 738950536 GSSDKVYKXVYOSR-UHFFFAOYSA-N 438.406 4.198 5 20 IIBD O=C1OCCN1c1ccc(F)c(C(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)c1 741549471 UCSLETFQNVYSJF-UHFFFAOYSA-N 433.823 4.401 5 20 IIBD O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ncoc1-c1ccc2c(c1)OCCO2 741936143 LTSCKLPHFOQNOJ-UHFFFAOYSA-N 449.375 4.033 5 20 IIBD CCO[C@H]1C[C@@H](OC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C12CCCCC2 744226891 NLRRZFJQYWRAQH-ZWKOTPCHSA-N 446.529 4.159 5 20 IIBD C[C@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 744403397 ZZVAOHGBMYUAHC-OYHNWAKOSA-N 445.520 4.208 5 20 IIBD C[C@@H](OC(=O)c1ccccc1NC(=O)C(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 745016010 IONLEIIZHYOBQT-GFCCVEGCSA-N 447.875 4.417 5 20 IIBD C[C@@H](CC(=O)c1cccc(F)c1)C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 745399443 SSSRXXPHFKJMBW-RYUDHWBXSA-N 436.823 4.167 5 20 IIBD CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C 745565426 MZYHXLGXHPKWNM-LLVKDONJSA-N 426.347 4.189 5 20 IIBD Cc1noc(C(F)F)c1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 746080995 GXLUDPWLWQGHOB-SSDOTTSWSA-N 437.277 4.032 5 20 IIBD C[C@H]1CN(CCNC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)CCO1 746194123 ZITZOHSRQYENDZ-SFHVURJKSA-N 428.532 4.384 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1C[C@H]1c1cccc(Br)c1 747521325 NXHYCEXWPLKJQC-JKSUJKDBSA-N 444.241 4.254 5 20 IIBD COc1ccc(-c2noc(COC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)n2)cc1 747960705 AESSJGHXXOUDTD-UHFFFAOYSA-N 438.421 4.134 5 20 IIBD C[C@H](OC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ncc(-c2ccc(Cl)cc2)o1 751646689 JTSVELRLNIYHIZ-NSHDSACASA-N 443.799 4.116 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1 753540331 GFNJCRLNPKMHAX-UHFFFAOYSA-N 437.239 4.451 5 20 IIBD COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCc2c1cccc2[N+](=O)[O-] 754409467 LDJRMDASLLKVLM-HXUWFJFHSA-N 441.484 4.149 5 20 IIBD O=C(N[C@H]1CCOc2c1ccc(Cl)c2Cl)c1cc(O)nc2ccc([N+](=O)[O-])cc12 754477160 XLACHHLBXAIPSL-HNNXBMFYSA-N 434.235 4.409 5 20 IIBD C[C@@H]1CCCCN1C[C@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 755006825 GPTYLZJDSMDECR-ZIAGYGMSSA-N 442.329 4.223 5 20 IIBD COc1cc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)ccc1OC(C)C 755155775 KXCAOTBJEDBJEO-UHFFFAOYSA-N 437.290 4.012 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@@H](O)c1ccc(Cl)cc1Cl 755802423 WPFTUZZBZJFYPF-OAHLLOKOSA-N 448.100 4.056 5 20 IIBD COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 756996942 MRHLZZILYZBJMK-SFHVURJKSA-N 449.891 4.139 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)c1nc(Cl)ccc1F)c1cccc([N+](=O)[O-])c1 758515714 LXJAWNUNMVQUTK-CQSZACIVSA-N 435.839 4.024 5 20 IIBD COc1cc(C(=O)OC[C@@H]2CCN(C(C)=O)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 758566392 LXQCFICOCARLCR-CQSZACIVSA-N 448.859 4.074 5 20 IIBD CC(C)C(=O)Nc1ccc(Cl)c(C(=O)O[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 759949669 OKRPTIWSLMKQBJ-SJORKVTESA-N 434.880 4.380 5 20 IIBD O=C(Cc1ccccc1)NCc1nc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)no1 761858862 SAEWNUJXVRZOMU-UHFFFAOYSA-N 430.420 4.296 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCS[C@H](c2ccccc2)C1 762553260 XNUZXCWRAGKXDI-IBGZPJMESA-N 446.550 4.180 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@H]3CCc4ccc(OC)cc43)CC2)ccc1[N+](=O)[O-] 763987232 OBZNNCXPMSHRGA-FQEVSTJZSA-N 440.496 4.244 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(Br)c(Cl)c1 764102104 MLUVTKKWBVABKJ-UHFFFAOYSA-N 428.622 4.234 5 20 IIBD CCCN(C(=O)c1cc([N+](=O)[O-])cc(C)c1F)C1CCN(C(=O)c2ccccc2)CC1 764471609 DHKZKJCVNUCACF-UHFFFAOYSA-N 427.476 4.199 5 20 IIBD COC(=O)C[C@H](NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])C1CC1 768248701 JZUZXZLWGDRORF-INIZCTEOSA-N 434.901 4.471 5 20 IIBD CCCN(C(=O)CSc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)OC(C)(C)C)CC1 769362340 WHPCUXHRPKACRL-UHFFFAOYSA-N 437.562 4.325 5 20 IIBD CCOc1ccc(Oc2cc(CNC(=O)c3cc(F)c([N+](=O)[O-])cc3F)ccn2)cc1 769487363 OIUHDGVSXNJFJJ-UHFFFAOYSA-N 429.379 4.389 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1cccc(NC(=O)c2ccco2)c1 770323167 FXQWIRFSQNUHPP-UHFFFAOYSA-N 430.214 4.455 5 20 IIBD CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(F)c([N+](=O)[O-])cc1F 770418245 HMIASKHMNUKFPS-UHFFFAOYSA-N 431.361 4.096 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)OCc2ccccc2)c1 770669206 BLKOONXSLYUUBE-AFMUBRCDSA-N 440.521 4.205 5 20 IIBD CC(C)([C@@H](OC(=O)c1ccc(Cn2cccn2)o1)c1ccc(Br)cc1)[N+](=O)[O-] 774367168 PURHOGIOOQHPFA-KRWDZBQOSA-N 448.273 4.240 5 20 IIBD Cc1ccc(C(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])c(Br)n1 776217901 MRHXPZMYDBCLHA-QGZVFWFLSA-N 428.242 4.402 5 20 IIBD O=C(N[C@H]1CCCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1)c1cc2ccccc2o1 777963341 JVKBXGFGNFLPHQ-FQEVSTJZSA-N 445.479 4.056 5 20 IIBD O=C(O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)c1cccc(OCc2cccnc2)c1 778816266 UZKGYGAVVXXQRW-FQEVSTJZSA-N 437.427 4.144 5 20 IIBD COc1cc(COC(=O)c2cnc(Cl)c(Cl)c2)c([N+](=O)[O-])cc1OCC(F)F 780063022 ZBQNVWQZIYAVOM-UHFFFAOYSA-N 437.182 4.306 5 20 IIBD O=C(NCc1cccnc1N1CCCCC1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 780484371 NJUYJYJWDPCVFF-UHFFFAOYSA-N 448.473 4.275 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N[C@@H]1CCc2c(Br)cccc21 781629077 SZMXCYMAPKRNNQ-MRXNPFEDSA-N 434.246 4.002 5 20 IIBD O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781798172 MLYZAARJURYCOH-WBVHZDCISA-N 425.338 4.037 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)c1nc2ccccc2o1 781805211 DFHJDMFRSOIDLQ-LBPRGKRZSA-N 430.438 4.309 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)c1noc(-c2ccccc2)n1 784644229 ORGPXRCADIVDTK-CYBMUJFWSA-N 429.454 4.301 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 785381534 OBAGHWAHPZXLBP-ZDUSSCGKSA-N 445.438 4.267 5 20 IIBD Cc1cc(NC(=O)COc2cc([N+](=O)[O-])ccc2Br)n(-c2ccc(F)cc2)n1 786747363 VSVRMFCQQCSTPB-UHFFFAOYSA-N 449.236 4.008 5 20 IIBD CCOC(=O)Nc1ccc2c(COC(=O)c3cc([N+](=O)[O-])cc(C)c3F)cc(=O)oc2c1 787938485 ICHWTZMKACCYTA-UHFFFAOYSA-N 444.371 4.074 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCc3nc(C4CCCCC4)[nH]c3C2)cc1OC 791272204 JMRKLINFLVVABL-HNNXBMFYSA-N 442.516 4.060 5 20 IIBD COc1cc(C)c([C@H](C)NC(=O)COc2cc(Cl)c(Cl)cc2[N+](=O)[O-])cc1OC 794497798 WDXMHGAKIKWXEI-NSHDSACASA-N 443.283 4.483 5 20 IIBD CCc1[nH]nc(C(=O)O[C@H](C(=O)Nc2cc(Cl)ccc2Cl)C(C)C)c1[N+](=O)[O-] 795611303 FZYLZZNVQNRLIB-HNNXBMFYSA-N 429.260 4.007 5 20 IIBD C[C@H](OC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1ccc(SCC(=O)N(C)C)cc1 797257181 SVOKSBOXHAQKMK-HNNXBMFYSA-N 430.526 4.357 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] 799374999 UXMYEYSNTRXROW-IAGOWNOFSA-N 434.537 4.301 5 20 IIBD COc1ccc(-c2nc3ccccc3[nH]2)cc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 799926601 CWOLRVUKTQUSKM-UHFFFAOYSA-N 430.467 4.009 5 20 IIBD O=C(N[C@H]1CCc2ccccc2OC1)c1cc(Br)cc([N+](=O)[O-])c1Cl 801445173 QFOMDIBGGBDPRG-LBPRGKRZSA-N 425.666 4.134 5 20 IIBD Cc1cc(Br)c(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1N 803852337 SPECIKPKXBFANC-JTQLQIEISA-N 447.245 4.216 5 20 IIBD CC(=O)c1ccc([N+](=O)[O-])cc1NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1 807983055 WHNNADCQYCKTFI-UHFFFAOYSA-N 441.465 4.000 5 20 IIBD COc1cc(Cc2noc(-c3ccc(C(C)C)c([N+](=O)[O-])c3)n2)c([N+](=O)[O-])c(OC)c1 809488988 SDGQQJAZXKQPAY-UHFFFAOYSA-N 428.401 4.284 5 20 IIBD Cc1nc2c(s1)[C@H](N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)CCC2 809816763 OICPFSZLUXVBHR-GFCCVEGCSA-N 436.342 4.365 5 20 IIBD C[C@H](OC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(=O)N1CCc2sccc2C1 811375435 YZORLMHLWRIXNA-VIFPVBQESA-N 429.281 4.093 5 20 IIBD Cc1cc(CNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc(N2CCCC2)n1 811853667 ISFJYEICXNOLIH-UHFFFAOYSA-N 425.367 4.438 5 20 IIBD CN1CCC(N(C[C@H]2C[C@H]3C=C[C@H]2C3)C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 811928320 GDZKMSRGVITSGI-YQQAZPJKSA-N 435.927 4.065 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCCC[C@H]2COC(=O)NC2CCCC2)cc1[N+](=O)[O-] 812107869 GDILHGUTWVIZOR-LPHOPBHVSA-N 432.521 4.197 5 20 IIBD O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C/c1cnn(Cc2ccccc2Cl)c1 812447261 KOMAVWUFOFEEIW-REZTVBANSA-N 443.246 4.491 5 20 IIBD Cn1cc(C(=O)Nc2ccc(OC(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])cc2)cn1 812984844 WJYALCQXEINMKR-UHFFFAOYSA-N 435.223 4.107 5 20 IIBD CCc1nc(C(C)C)ccc1COC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 815181769 IESPLMYDXXUXMV-UHFFFAOYSA-N 427.457 4.107 5 20 IIBD O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCC(OC[C@@H]2CCCO2)CC1 815954073 QKMOCDNQPDJGQN-KVZIAJEVSA-N 430.457 4.047 5 20 IIBD COc1ccc([C@H](O)C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)CC2)cc1 816780786 OWSONCDTDPOXBO-IBGZPJMESA-N 438.402 4.208 5 20 IIBD CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 820158729 VJLQVOCNEREFST-AWEZNQCLSA-N 442.472 4.308 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc(F)cc1I 915295136 IWSRNJFKDOWEDI-UHFFFAOYSA-N 448.619 4.264 5 20 IIBD CCCCn1c(-c2ccc(Cl)c([N+](=O)[O-])c2)nc2cc(S(=O)(=O)N(C)C)ccc21 916369183 XALYYUSYPLZXBD-UHFFFAOYSA-N 436.921 4.315 5 20 IIBD Cc1c(C(=O)NC2(c3ccc(Br)cc3)CCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 917800322 BSFIFWWAJDGLOJ-UHFFFAOYSA-N 434.246 4.383 5 20 IIBD CCc1ccc(NC(=O)c2nnc(COC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)s2)cc1 918849781 JUSTWJNIESDKIK-UHFFFAOYSA-N 446.872 4.271 5 20 IIBD CCOc1ccc([C@H]2CCCN2C(=O)COC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 919210719 IKFXSPDSKUJCOZ-LJQANCHMSA-N 438.436 4.260 5 20 IIBD Cc1ccc(Cl)c(O[C@H](C)C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 919450056 VLNHFZVIQSDPQL-LLVKDONJSA-N 427.240 4.159 5 20 IIBD Cc1c(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 920009441 SPUKSVPODRBORU-AWEZNQCLSA-N 435.820 4.275 5 20 IIBD Cc1nn(C)cc1CCC(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 1318572137 SPZIEHJFGPBICW-UHFFFAOYSA-N 442.859 4.081 5 20 IIBD C[C@H](CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1319258883 SOOBOGWWNIHKDQ-SJLPKXTDSA-N 431.533 4.153 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@H](c2nnc(-c3ccc(F)cc3Br)o2)C1 1322557477 QXAASFIEXUZZSA-HNNXBMFYSA-N 433.193 4.412 5 20 IIBD COc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1Br 1324047101 KUGNXJWVRKHNQK-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD CC(C)CCSc1ccc(C(=O)N[C@@H](C(N)=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 1338389439 OOUAHGGDCRFUME-GOSISDBHSA-N 435.933 4.343 5 20 IIBD CC(C)Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C3)cc1 1800645698 XGYUPJQDJYKLCQ-NUNAXRQHSA-N 449.551 4.288 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCCC2(CCN(C(=O)C3CCCCC3)CC2)C1 1806490676 SDFFBSOTHBYWGI-UHFFFAOYSA-N 441.572 4.339 5 20 IIBD CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3ccccc3[N+](=O)[O-])[nH]n2)CCC1 1814406061 JYEQAHXPKOYEAX-GNISGLHKSA-N 437.500 4.214 5 20 IIBD C[C@@H]1CCC[C@H]1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)n[nH]1 1814968164 QVDXAEFSUZLILL-LPWYIGRQSA-N 441.488 4.053 5 20 IIBD C/C=C(/C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1824843179 PSWPAXUIRNZSBH-WGXIIKRPSA-N 427.545 4.113 5 20 IIBD C/C=C(/C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1831347075 QSCGTFOLOZSQAO-DODBJNLLSA-N 427.545 4.113 5 20 IIBD Cc1c(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](F)c2ccccc2)cc(Cl)cc1[N+](=O)[O-] 1848009755 OZZFHRNYTXATBP-CMKODMSKSA-N 445.878 4.083 5 20 IIBD C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc2ccccc2n1C(F)F 9757341 XHHXNZVYIANGBI-ZDUSSCGKSA-N 429.427 4.431 5 20 IIBD Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 15790991 YFNLMEAATGJTKP-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD C[C@H](OC(=O)/C=C/c1ccc2ccccc2n1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 20983490 WFJRLUQTFXXHPZ-YKWSONSWSA-N 425.828 4.380 5 20 IIBD CCOc1ccc(S(=O)(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 21872005 OPWSWZODSLWWSJ-UHFFFAOYSA-N 442.449 4.014 5 20 IIBD O=[N+]([O-])c1c(Sc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)nc2sccn12 22135563 OTXGVHPHLLNCSM-CQSZACIVSA-N 427.511 4.498 5 20 IIBD CCCC(=O)Nc1ccc(OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(C(C)=O)c1 23986312 QATAMXDBEZEBQA-UHFFFAOYSA-N 433.848 4.207 5 20 IIBD CN(Cc1ccccc1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CCCCC1 26781713 GPRKUUWTOVSAOV-UHFFFAOYSA-N 440.500 4.139 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)cc1OC 60058741 WGNNSFNSTNJXAC-UHFFFAOYSA-N 441.415 4.259 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccn1 64781159 SLAWFCZSEXWHPH-UHFFFAOYSA-N 428.452 4.470 5 20 IIBD Cc1nc2ccccc2c2c(NC(=O)Cn3ncc4ccccc4c3=O)c3ccccc3n12 105834356 SJKGRIUPAKUHIB-UHFFFAOYSA-N 433.471 4.298 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 302000617 RNTLHBOOVNCKDX-PXNSSMCTSA-N 426.860 4.155 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC[C@@H](c3nnc4n3CCCCC4)C2)nc1OCc1ccccc1 302180567 QLDJGYHPFFQRCG-LJQANCHMSA-N 448.527 4.271 5 20 IIBD COCCN(Cc1cc(Br)cs1)C(=O)c1ccc([N+](=O)[O-])cc1Cl 427742388 QAEPREJPMZWJCL-UHFFFAOYSA-N 433.711 4.361 5 20 IIBD C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 427867151 AVUJAMLJVDLVDT-CABCVRRESA-N 433.892 4.493 5 20 IIBD O=C(Cc1csc(Cc2cccc(Cl)c2)n1)N1CCOc2ccc([N+](=O)[O-])cc2C1 427963050 HJPXIUJNWVMAGH-UHFFFAOYSA-N 443.912 4.259 5 20 IIBD Cc1c(NC(=O)C(=O)NCc2csc3ccccc23)cc(Br)cc1[N+](=O)[O-] 430313074 RXSBTPIPMYLOIF-UHFFFAOYSA-N 448.298 4.135 5 20 IIBD Cc1cc(OCC(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@@H](C)C2)ccc1[N+](=O)[O-] 430418400 ZHEPIYUQPSZMQI-IYBDPMFKSA-N 425.485 4.039 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nnc([C@H]2CCCc3ccccc32)s1 432536568 CRHLOICZTQVFQM-INIZCTEOSA-N 430.511 4.024 5 20 IIBD COC(=O)C[C@H](NC(=O)c1ccc(SC)c([N+](=O)[O-])c1)c1ccc(Cl)c(F)c1 433539322 MKLRJFLNHZJRGS-AWEZNQCLSA-N 426.853 4.143 5 20 IIBD CCc1nc(CCNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)sc1C 435326178 BYHNBZRAWHEWEJ-UHFFFAOYSA-N 427.324 4.357 5 20 IIBD O=C(N[C@@H]1CCOC2(CCSCC2)C1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444248783 NFEUKSYDROBGBT-CQSZACIVSA-N 444.503 4.134 5 20 IIBD C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 444406006 VDTCAPXEUFRRSG-CWTRNNRKSA-N 427.844 4.104 5 20 IIBD CC1CCN(c2ccc(C(=O)NC[C@]3(O)CCC[C@H](C(F)(F)F)C3)cc2[N+](=O)[O-])CC1 444468566 QVVNPHRYQXYNMI-JXFKEZNVSA-N 443.466 4.045 5 20 IIBD CC[C@H]1Cc2c(Br)cccc2CN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] 444878665 VERBOGQMDYFWGB-NSHDSACASA-N 445.360 4.164 5 20 IIBD O=C(Cc1noc(-c2ccc([N+](=O)[O-])cc2Cl)n1)Nc1ccccc1C(F)(F)F 445415289 DBZFKGZEMAUDQH-UHFFFAOYSA-N 426.738 4.498 5 20 IIBD CCN(Cc1ccccc1)C(=O)CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] 447674349 BUVCFRHCTHAGNF-UHFFFAOYSA-N 432.349 4.105 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 462403340 QYPJRRYXQWZHTQ-AUSIDOKSSA-N 425.529 4.125 5 20 IIBD CC[C@@H](C)N(C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)c1ccc(C(N)=O)cc1 463616793 UAGJCKIHCVDWMQ-IAGOWNOFSA-N 438.528 4.375 5 20 IIBD O=C(NCCNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])c1ccco1 464518505 GKRFFAULWWVBGQ-UHFFFAOYSA-N 445.884 4.152 5 20 IIBD CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 464720032 RTPLRELXXQBMEC-KRWDZBQOSA-N 443.504 4.011 5 20 IIBD Cc1ccc(-n2nc(C(C)C)cc2NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 465134672 LOSOWHZBDAMIKH-UHFFFAOYSA-N 436.468 4.165 5 20 IIBD COc1ccc(CSCC(=O)NCc2coc(-c3ccc(C)cc3)n2)cc1[N+](=O)[O-] 465182390 FYUANUDJMFNYKA-UHFFFAOYSA-N 427.482 4.116 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@H]1c1cc2c(cc1OCC)C[C@@H](C)O2 466497838 VYXCPPDULPMLNJ-RPVQJOFSSA-N 426.469 4.458 5 20 IIBD CN(C(=O)CN1CCC[C@H]1c1cc(F)cc(Br)c1)c1ccc([N+](=O)[O-])cc1 467185103 YQOWOZAZZWQXFE-SFHVURJKSA-N 436.281 4.296 5 20 IIBD COc1cccc([C@H]2[C@@H](NC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)CCN2C2CC2)c1 467216385 KFIPHXXMJBKSJO-SFTDATJTSA-N 444.919 4.034 5 20 IIBD CCN(C/C(C)=C/c1cccc([N+](=O)[O-])c1)Cc1nc(O)c2cc(OC)c(OC)cc2n1 470170158 PKXFSMKVEFNQBB-OQLLNIDSSA-N 438.484 4.186 5 20 IIBD COC(=O)COc1ccc(/C=C/c2nc(C(=O)O)c(-c3ccccc3)s2)cc1[N+](=O)[O-] 473500771 XEVJZDDDTUKSFV-CSKARUKUSA-N 440.433 4.139 5 20 IIBD CC(C)c1ccc(C(=O)Nc2ccccc2OCC(=O)Nc2cccnc2)cc1[N+](=O)[O-] 474178039 OEWDTSIMKIUUMO-UHFFFAOYSA-N 434.452 4.383 5 20 IIBD COc1c(C(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cccc1[N+](=O)[O-] 475529190 RDBGSWWHNMTZBU-CQSZACIVSA-N 442.859 4.327 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3cc(-c4ccccc4)ns3)CC2)ccc1[N+](=O)[O-] 477351363 ODXPPWAIDDSMLG-UHFFFAOYSA-N 438.509 4.079 5 20 IIBD Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3cc(O)nc4ccc([N+](=O)[O-])cc34)cc2)n1 478542893 ZQUNNPNFAPQZRS-HNNXBMFYSA-N 431.452 4.142 5 20 IIBD C[C@H](NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 478870349 CJLVNPSURZGBLM-LLJZQGTPSA-N 436.295 4.298 5 20 IIBD CCOC(=O)c1csc([C@H]2CCCN2C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)n1 479323187 QGDRNAYAOMYSHO-GOSISDBHSA-N 446.529 4.097 5 20 IIBD Cc1oc(-c2cccs2)nc1CN1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 481171591 FIZKGYPYMISZIK-UHFFFAOYSA-N 438.513 4.208 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@@H]4[C@@H](CCCN4Cc4ccccc4)C3)o2)cc1 483476026 QWJIXDOWCZRGHH-RBBKRZOGSA-N 433.512 4.131 5 20 IIBD O=C(Nc1ccc(Cl)cc1NC(=O)c1ccco1)c1cc2c(c([N+](=O)[O-])c1)OCO2 483820466 UBVWREOZSDXBTA-UHFFFAOYSA-N 429.772 4.075 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(-n3cnc(C)c3C)cc2)cc1[N+](=O)[O-] 485061175 ANHWIBKMVGPAAD-UHFFFAOYSA-N 426.498 4.278 5 20 IIBD O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 485821413 XKDHIGBCZKNSRE-AWEZNQCLSA-N 430.258 4.112 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCO[C@@H]1c1ccccc1 485964950 GMHDPLYJLKXATH-DYESRHJHSA-N 430.526 4.231 5 20 IIBD COC(=O)c1cc(NC(=O)N(Cc2ccnc(OC(C)C)c2)C2CC2)c(C)c([N+](=O)[O-])c1 486893328 AKNHYQITMPKYRO-UHFFFAOYSA-N 442.472 4.069 5 20 IIBD O=C(NCc1ccc(-n2cncn2)cc1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 487200544 NBZWTSMGNNMYSB-UHFFFAOYSA-N 431.477 4.257 5 20 IIBD CC[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1OCC(=O)N1CCCC1 488239483 QFQLCNGODZPENZ-GOSISDBHSA-N 445.903 4.131 5 20 IIBD C[C@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 488345313 KAPVHDVQPZYRNF-QFBILLFUSA-N 430.936 4.001 5 20 IIBD O=C(Nc1ccc(OCCN2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1Br 489333870 QGRGCSKIWADLOK-UHFFFAOYSA-N 448.317 4.474 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Br)c(F)c1 489981209 MXWBDUIECVLCAO-UHFFFAOYSA-N 429.267 4.487 5 20 IIBD C[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1OCCc2sccc21 490373277 NNGFSGQFFCYACS-MGPLVRAMSA-N 429.420 4.177 5 20 IIBD O=C(Nc1ccc(Cl)cc1C(=O)N1CCCC1)c1cc([N+](=O)[O-])ccc1OC(F)F 497809775 WIJSRZPDHDQENW-UHFFFAOYSA-N 439.802 4.338 5 20 IIBD CCCN(CC)C(=O)c1ccc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 498140190 KZNIWRTZSFQBPK-QFIPXVFZSA-N 427.526 4.355 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N(Cc1cccc(F)c1)C[C@H]1CCCO1 498495087 KBKKREAWDDKYEU-LJQANCHMSA-N 435.883 4.321 5 20 IIBD Cc1cc(C(=O)N2CCOC[C@@H]2c2c(C)nn(-c3ccccc3F)c2C)cc([N+](=O)[O-])c1 501199631 NXEZHQROVNJYSP-OAQYLSRUSA-N 438.459 4.059 5 20 IIBD Cc1cnc(O)n1-c1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 501795987 MDPJEUAKKZJMOX-ZIAGYGMSSA-N 444.875 4.093 5 20 IIBD COc1cc(CNc2cc(C[S@](C)=O)ccc2Cl)c([N+](=O)[O-])cc1OCC(F)F 502615014 KRLBSJJVKDJJGQ-LJAQVGFWSA-N 448.875 4.391 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)Nc1ncc(Cc2cccc(Br)c2)s1 505363984 JQSUVNHSGWZKHV-UHFFFAOYSA-N 448.298 4.422 5 20 IIBD COC1(CNC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CCC(c2ccccc2)CC1 509669697 GERCXYMMWKCXSJ-UHFFFAOYSA-N 439.512 4.009 5 20 IIBD COC(=O)CCC(C)(C)NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 511078974 XJOYZWQEHNZMNT-UHFFFAOYSA-N 433.892 4.322 5 20 IIBD CCOc1cc(NC(=O)Nc2cnn(Cc3ccccc3)c2)c([N+](=O)[O-])cc1OCC 511290066 XOHKISVESKGVLE-UHFFFAOYSA-N 425.445 4.281 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)cccc1[N+](=O)[O-] 511393949 LMNRTAYEWARFKV-WMLDXEAASA-N 435.402 4.313 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)cc1 511564957 RJURJFFQKCEKDC-GOSISDBHSA-N 444.431 4.008 5 20 IIBD Cc1cc(C(=O)Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)c(C)n1CCc1ccc(F)cc1 511812633 ZAPRBMNBILLSNJ-UHFFFAOYSA-N 437.427 4.186 5 20 IIBD C[C@@H]1CN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc([N+](=O)[O-])cc2)CCC3)C[C@@H]1O 512086053 AKJRCVPTTLQPSU-SQTNMICDSA-N 443.503 4.473 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC(Oc2ccccc2Cl)CC1 513841906 XWEURVCGXHOTSQ-UHFFFAOYSA-N 431.297 4.134 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](CNC(=O)c2ccco2)C1 514192517 JBPIWCKURYNVDI-MRXNPFEDSA-N 445.541 4.362 5 20 IIBD CCN(Cc1cccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1)C(C)=O 515282660 JBPZUNFWZDNZST-UHFFFAOYSA-N 439.390 4.157 5 20 IIBD O=C(Nc1cccc(OCCn2cncn2)c1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 516129746 LFCICJWGOSWLQN-UHFFFAOYSA-N 444.451 4.261 5 20 IIBD O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 517657053 JFEGVORMEFWVEJ-UHFFFAOYSA-N 430.892 4.315 5 20 IIBD C[C@H](NC1(Cc2ccc(F)cc2Cl)CCOCC1)C(=O)Nc1ccccc1[N+](=O)[O-] 519189460 AWFMVYKOYLZRNK-AWEZNQCLSA-N 435.883 4.096 5 20 IIBD Cc1cc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)n([C@H]2CCN(Cc3ccccc3)C2)n1 519576453 OPOIJVUYOMGAQS-GCJKJVERSA-N 433.512 4.289 5 20 IIBD COc1ccc(OC)c(-c2csc(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)n2)c1 520097785 WRSHYUAJEVKMNB-UHFFFAOYSA-N 438.465 4.329 5 20 IIBD CCOC(=O)c1cc(S(=O)(=O)N(C)[C@H](C)c2ccccc2Cl)cc([N+](=O)[O-])c1C 522567710 RCYAGJSPVSAJQC-CYBMUJFWSA-N 440.905 4.115 5 20 IIBD CC(C)C[C@@H](C)Oc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)ccn1 523487606 NUHLSONSWUJEEF-CYBMUJFWSA-N 436.306 4.496 5 20 IIBD CCOCCCn1c(NC(=O)c2ccc([N+](=O)[O-])cc2Br)nc2ccccc21 523506170 FXWQOAHTHQXTQH-UHFFFAOYSA-N 447.289 4.386 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2cccc(C[S@@](C)=O)c2)cc1[N+](=O)[O-])c1ccccn1 523726485 ZLOSVDBXXRDKGO-LHEBDHONSA-N 438.509 4.294 5 20 IIBD CN(C)Cc1ccc(-c2ccccc2CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cc1 524068465 XHFXPISUYMBGCO-UHFFFAOYSA-N 447.491 4.025 5 20 IIBD C[C@@H](Nc1ccc(NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 524140600 HGUPXMHBEYRUGD-QGZVFWFLSA-N 447.495 4.206 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1 524422317 JLEJNJCILTXYIB-GOSISDBHSA-N 443.525 4.055 5 20 IIBD COc1cc(C(=O)Nc2ccc(Sc3nc(C)cc(C)n3)cc2)cc([N+](=O)[O-])c1OC 525019332 ODWXPDJHZNLEHC-UHFFFAOYSA-N 440.481 4.422 5 20 IIBD Cc1ccc(NCCCNC(=O)N2CCC[C@H](CN3CCCC[C@@H]3C)C2)c([N+](=O)[O-])c1 525321428 DVSJXUZSCIDANV-VQTJNVASSA-N 431.581 4.001 5 20 IIBD COc1cc(CNC2CCN(C3CCCC3)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F 530664627 OQHZLNUNGYGSQQ-UHFFFAOYSA-N 431.455 4.041 5 20 IIBD COc1cc(OCC(=O)N2CCC[C@H]2c2ccc(Br)cc2)ccc1[N+](=O)[O-] 531458811 JFJOCDJJJSCBJU-INIZCTEOSA-N 435.274 4.108 5 20 IIBD O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 536104242 XNJSCXJOBWKTST-UHFFFAOYSA-N 439.453 4.158 5 20 IIBD CN(CCc1cccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1)C1CC1 538232272 XRHCPPCUWDKJGB-UHFFFAOYSA-N 437.418 4.425 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCCS1 541270257 UDPIWCDDQHSTGE-NRFANRHFSA-N 436.537 4.392 5 20 IIBD O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 541824236 PKRJLZXDDJMPLX-UHFFFAOYSA-N 428.710 4.275 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)c(Br)c1 542103966 VXTOQMGJWUZLBS-UHFFFAOYSA-N 426.075 4.465 5 20 IIBD CCc1cnccc1[C@H](C)N[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 543053244 ZZTKBTXYBNEBDL-UONOGXRCSA-N 425.514 4.354 5 20 IIBD CCN(CC)CCOc1ccccc1-c1noc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 545596506 SNNUTHLXUNROFJ-UHFFFAOYSA-N 435.484 4.438 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(Cc3cc(Br)c4c(c3)OCCCO4)no2)s1 545657470 CSGATWUGXNIHHK-UHFFFAOYSA-N 438.259 4.221 5 20 IIBD COC(=O)[C@H](C)Cc1ccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 546844370 DVAYYJSPWIIBHZ-MRXNPFEDSA-N 441.484 4.022 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)c1nc(CCNc2ccccc2[N+](=O)[O-])no1 547088286 MBJUIANHXVYPEW-NSHDSACASA-N 438.410 4.160 5 20 IIBD CCc1nc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)nn1-c1c(Cl)cccc1Cl 547198435 QXIXFLHAYTXVJV-UHFFFAOYSA-N 446.254 4.081 5 20 IIBD COCC1(C)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cccs2)CC1 549954594 CHWRFDSSXQZYCC-UHFFFAOYSA-N 427.530 4.216 5 20 IIBD COc1c(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc(Cl)cc1C(=O)N(C)C 552807962 CULLAMUQAROGIF-LLVKDONJSA-N 437.905 4.078 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1nc2cc(Br)ccc2o1 554694870 QPGWCIAGHKZWPP-UHFFFAOYSA-N 433.262 4.007 5 20 IIBD O=C(NC[C@@H]1CCCCC(F)(F)C1)c1ccc([N+](=O)[O-])cc1I 557322250 JXVFAGYKWXUDDL-SNVBAGLBSA-N 438.212 4.145 5 20 IIBD CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])[C@H]2C1 558319465 KLLUBYXPAHIAGA-YTQUADARSA-N 439.537 4.123 5 20 IIBD O=C(Nc1cccc(Br)c1Cl)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 558841843 GYGKUEXBKQYVNF-UHFFFAOYSA-N 428.674 4.076 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)c1 558870699 UNLMWZGUUPJMBJ-AWEZNQCLSA-N 448.317 4.012 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])Cc1c(Br)cncc1Br 566946199 XQNSOCBQFWUOAC-UHFFFAOYSA-N 429.112 4.189 5 20 IIBD Cc1nc(CCC(=O)N(C)c2ccc([N+](=O)[O-])nc2)oc1-c1ccc(Br)cc1 574482826 VMHKQFHRIDGYOU-UHFFFAOYSA-N 445.273 4.311 5 20 IIBD C/C(=C\c1ccccc1OC(F)F)CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 574612585 VSIFRHULKQXZAU-JQIJEIRASA-N 431.439 4.058 5 20 IIBD CC1(C)CCC(c2noc([C@@H]3CCCN3S(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)CC1 575026535 ZQUYIWPMXUTBNS-KRWDZBQOSA-N 434.518 4.187 5 20 IIBD COc1cc(CN(C)C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(OC)c1 603529497 GEKIZVQUJVTHBM-UHFFFAOYSA-N 444.431 4.382 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@H]3COc4ccccc4C3)cc2[N+](=O)[O-])n1 603891570 WEVRUQGOLBTXSF-OAHLLOKOSA-N 427.507 4.244 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])N(Cc1ccccn1)c1ccc(Br)cc1 603993920 HKXBBJUNRVGWDK-UHFFFAOYSA-N 442.269 4.365 5 20 IIBD COc1cc(CCNC(=O)N[C@@H](CC(F)(F)F)c2ccccc2)c([N+](=O)[O-])cc1OC 604103754 OXOQIKAQILVXOT-HNNXBMFYSA-N 441.406 4.147 5 20 IIBD COCCOc1ccccc1CNC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 604199700 TWCAVDNUQRNVSV-QZTJIDSGSA-N 441.528 4.032 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H](C)c1ccccc1Br 604492759 KTYHQURROALFGR-ZDUSSCGKSA-N 436.306 4.388 5 20 IIBD COc1ccc(CC(=O)NCc2ccccc2-c2ccc(CN(C)C)cc2)cc1[N+](=O)[O-] 609017031 PRAOKKMREWNUTD-UHFFFAOYSA-N 433.508 4.191 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1 609057011 LHDLBXNALWUFAG-HXUWFJFHSA-N 441.553 4.066 5 20 IIBD CCOc1ccc(OC)cc1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 609182373 KTBLRGMSCRPNOD-UHFFFAOYSA-N 427.379 4.462 5 20 IIBD O=C(CSc1nccn1-c1ccc(C(F)(F)F)cc1)NCc1cccc([N+](=O)[O-])c1 609516216 KCLUKIMSWUSBFH-UHFFFAOYSA-N 436.415 4.208 5 20 IIBD C[C@H](Oc1ccc(F)cc1Br)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 610046887 LZRDXMHHFYYSOI-ZDUSSCGKSA-N 439.281 4.403 5 20 IIBD CSc1nc(-c2ccco2)nc(C)c1C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] 610052835 SVZBWVLQZBGGFM-UHFFFAOYSA-N 441.513 4.216 5 20 IIBD C[C@@H](N[C@H](Cn1cccn1)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 610162530 IRGSTIXNLFOWKZ-AUUYWEPGSA-N 447.417 4.168 5 20 IIBD COc1ccc([C@H](C)CCNC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 610185889 WNYBPBIQKZUEHX-MRXNPFEDSA-N 436.512 4.389 5 20 IIBD O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCc2sccc2[C@H]1c1cccs1 610923694 WRGXQSGTKUIOJH-IBGZPJMESA-N 437.506 4.086 5 20 IIBD Cc1noc(C)c1[C@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 610937267 BWEILYKVQRNUAU-JTQLQIEISA-N 446.510 4.228 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 611147829 RYLMJSXNMCMEEX-ITGUQSILSA-N 427.345 4.346 5 20 IIBD COC(=O)c1cc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)c(Br)cc1F 611285657 JOECWGJRUNXQFB-UHFFFAOYSA-N 439.237 4.461 5 20 IIBD COC(=O)c1cc(NC(=O)N(Cc2cccc(OC)c2)CC(C)C)c(C)c([N+](=O)[O-])c1 617015537 FRLDXJQEUIZUPF-UHFFFAOYSA-N 429.473 4.389 5 20 IIBD C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 684858746 BATAHFLKKDLSFK-LGHCQICFSA-N 432.564 4.333 5 20 IIBD Cc1ccc(S(=O)(=O)c2ccc(COC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])cc2)cc1 725934373 DHECMKHJEJGBGY-UHFFFAOYSA-N 447.415 4.371 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])c2cc(Br)ccc2n1 725975439 KWNLLDXVJFWYAK-UHFFFAOYSA-N 444.241 4.009 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)CC1 727397532 WGJIDUODJLCHOU-QFIPXVFZSA-N 445.466 4.323 5 20 IIBD COCc1cccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)c1 727587853 BZIIGHYMGMIGPV-UHFFFAOYSA-N 438.406 4.114 5 20 IIBD COc1cccc(N2CC[C@H](Nc3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])C2)c1 728201444 OKHVNVZMLSTIQS-LBPRGKRZSA-N 426.351 4.221 5 20 IIBD O=C(OCc1nc(O)c2ccc(C(F)(F)F)cc2n1)c1c(Cl)cccc1[N+](=O)[O-] 730645815 SLECCCVNJYNDJU-UHFFFAOYSA-N 427.722 4.273 5 20 IIBD O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCC[C@@H]1c1ccccc1C(F)(F)F 731475275 FQGBQQDBHVMIGQ-GOSISDBHSA-N 431.374 4.172 5 20 IIBD Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 731651309 CPJLPYRFZLQAQF-UHFFFAOYSA-N 443.843 4.211 5 20 IIBD CC[C@H](OC1CCCC1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 733101727 GWAPMQPVXMFOGA-SFHVURJKSA-N 429.439 4.000 5 20 IIBD CC[C@@H](C)N1C(=O)N[C@H](c2csc(-c3cccc([N+](=O)[O-])c3)n2)C(C(=O)OC)=C1C 733122320 XRIPGAAQBDPEHU-PIGZYNQJSA-N 430.486 4.030 5 20 IIBD Cc1ccc(C(C)C)c(O[C@H](C)C(=O)OCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c1 735344725 NAMZIFKAVPQEHH-MRXNPFEDSA-N 442.468 4.335 5 20 IIBD C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 738774965 GYUWTZJDUJQNCA-ACJLOTCBSA-N 436.386 4.141 5 20 IIBD COc1cc(C(=O)OCc2cnc(-c3cccs3)o2)c([N+](=O)[O-])cc1OC(F)F 739255609 SFVPYUBANSZYOZ-UHFFFAOYSA-N 426.353 4.278 5 20 IIBD O=C1/C(=C\c2cc(Cl)ccc2[N+](=O)[O-])NC(=S)N1c1ccc(OC(F)(F)F)cc1 739426946 XWWMOBYVXRQAEJ-MDWZMJQESA-N 443.790 4.409 5 20 IIBD C[C@H](OC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 741179263 MELCXRAZLBGYLX-INIZCTEOSA-N 425.462 4.487 5 20 IIBD Cc1noc(-c2ccccc2C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)n1 741885908 SYIPSYFBLQBARL-UHFFFAOYSA-N 444.403 4.425 5 20 IIBD Cc1ccc(S(=O)(=O)N2c3ccccc3N(C(=O)OC(C)(C)C)C[C@@H]2C)cc1[N+](=O)[O-] 743345997 NLVPKJSKACYVCA-HNNXBMFYSA-N 447.513 4.242 5 20 IIBD O=C(c1csc(-c2ccc(O)cc2)n1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 743759748 ALHHEKHEHMTFIS-UHFFFAOYSA-N 425.466 4.108 5 20 IIBD COc1cc(C2(C(=O)O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CCC2)ccc1C 744907289 RLLARKVFYOEVMS-INIZCTEOSA-N 426.469 4.212 5 20 IIBD COC(=O)c1cc2cc(COC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])ccc2o1 745049995 JXWWACTWQKHTRY-UHFFFAOYSA-N 433.800 4.293 5 20 IIBD O=C(COC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)Nc1cc([N+](=O)[O-])ccc1F 745346757 LFAGJPMBSIRYMP-KBPBESRZSA-N 427.215 4.326 5 20 IIBD COCCOC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 746820699 ISPLQNSOEZZJHG-UHFFFAOYSA-N 427.335 4.061 5 20 IIBD CCc1ccc([C@@H](COC)NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)o1 749437235 REQPMPKGRKILRU-GFCCVEGCSA-N 431.670 4.284 5 20 IIBD CCc1noc(-c2ccc(C)c(NC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)c2)n1 750927168 QTYRYGMMWCRGTK-UHFFFAOYSA-N 425.401 4.293 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 751472626 VGXCVAXKYZBJQT-QZTJIDSGSA-N 430.505 4.490 5 20 IIBD O=C(COC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2)Nc1ccccc1[N+](=O)[O-] 751711836 XLZUJMROCGKJSY-NFAYLAGKSA-N 426.391 4.225 5 20 IIBD C[C@@H](OC(=O)c1ccc(N(C)C)cc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 751892083 AURIQEMUTIFVEV-SNVBAGLBSA-N 443.353 4.003 5 20 IIBD CCOC(=O)c1nc(-c2ccccc2)oc1COC(=O)c1c(F)ccc([N+](=O)[O-])c1F 752560527 XPCINHFVNAVZFT-UHFFFAOYSA-N 432.335 4.062 5 20 IIBD C[C@H](C(=O)Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 753394265 DZXFYAUFLGWOKD-HNNXBMFYSA-N 425.462 4.374 5 20 IIBD CCC[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CCN1CCc1ccc([N+](=O)[O-])cc1 753904765 LXFRFSFUIZLCCE-QHCPKHFHSA-N 426.517 4.075 5 20 IIBD Cc1cc(Br)ccc1NC(=O)COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F 754983859 ATIVJDCKDYZXIW-UHFFFAOYSA-N 445.628 4.254 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F 755063680 NSAULRVMSBABID-NEPJUHHUSA-N 438.839 4.378 5 20 IIBD COC(=O)[C@@H]1CCCC[C@@H]1OC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 755807712 WEOLUMZDLKOKPC-KKVAFCGZSA-N 427.457 4.052 5 20 IIBD COC[C@](C)(NC(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)C(=O)OC 757010210 PORHIZIWRGQEEW-SANMLTNESA-N 431.488 4.241 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])N(Cc1ccccc1)C[C@@H](O)c1ccsc1 757219437 BKMOAOMZMQSQEW-OAQYLSRUSA-N 425.510 4.144 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 761488857 BOPKDOHWUJPCHM-KRWDZBQOSA-N 446.459 4.420 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H]1CC[C@@H]2SCCS[C@@H]21 762682905 TXZCTRJDKUXSQX-RIEGTJTDSA-N 438.518 4.202 5 20 IIBD CCn1c(SCC(=O)OCCc2ccccc2[N+](=O)[O-])nnc1-c1cccc(C)c1 762705184 KECSZPXOZCSKMT-UHFFFAOYSA-N 426.498 4.060 5 20 IIBD C[C@H](Sc1nc2ccccc2s1)C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 762911578 YTLBOOQVVDCEOR-NSHDSACASA-N 442.478 4.479 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)N(C)[C@@H](C)c1ccccc1OC 763810161 IFOKRCFPRXPUJF-AWEZNQCLSA-N 432.498 4.092 5 20 IIBD Cn1c(S)nnc1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 764167007 FUWMQGJTVPPCHU-ZDUSSCGKSA-N 447.586 4.067 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])OCc1nc(-c2ccc(F)c(F)c2)no1 768024299 OBJFMSQIEVRPLO-UHFFFAOYSA-N 439.758 4.089 5 20 IIBD Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c1 768363103 XDPKCVGAFXJGIV-HSZRJFAPSA-N 449.463 4.496 5 20 IIBD COc1ccc(F)cc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 768911944 UJOYMHQFMFRBQT-UHFFFAOYSA-N 442.369 4.115 5 20 IIBD COc1cccc(C(=O)OCc2coc(-c3ccc(Br)cc3)n2)c1[N+](=O)[O-] 769575000 FGJCHTNOHFGDKO-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD CC(C)(C)OC(=O)NCC1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 771764855 LLNAOZSOLFWBLW-UHFFFAOYSA-N 446.426 4.382 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 772460231 KIUZQSIJYWKUHA-HNNXBMFYSA-N 430.892 4.151 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCc1ccc(C)cc1Cl 773375072 GNXPPFCZYYCCCR-GOSISDBHSA-N 436.917 4.152 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCc1ccc(C)cc1Cl 773375073 GNXPPFCZYYCCCR-SFHVURJKSA-N 436.917 4.152 5 20 IIBD O=C(OCc1ccc(OCC(F)(F)F)nc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 775021637 GVSANWUSQJSMRN-UHFFFAOYSA-N 439.371 4.411 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21 775089603 IJNXIQWELVLCSF-KSSFIOAISA-N 444.509 4.281 5 20 IIBD Cc1cc(Cl)ccc1O[C@@H](C)C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 778662101 WXXZIRUJJZUKCV-NSHDSACASA-N 427.240 4.159 5 20 IIBD C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1ccc(I)c([N+](=O)[O-])c1 780277326 LNOUFLZEBWYSSV-WCBMZHEXSA-N 442.175 4.002 5 20 IIBD O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)c1ccc2[nH]c3ccccc3c(=O)c2c1 780910914 JHWPBEIAFPAGLW-FQEVSTJZSA-N 427.287 4.452 5 20 IIBD CN(C(=O)COC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[C@@H]1CCCc2ccccc21 781260449 PBUGISVXJCPUCN-XMMPIXPASA-N 440.499 4.374 5 20 IIBD COc1ccc(Oc2ccc(NC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cn2)cc1 781681867 MQHOIZJJOJGMDV-UHFFFAOYSA-N 438.396 4.270 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)C[C@@H]21 784218565 FABYPNSPKBFGJQ-AEGPPILISA-N 427.448 4.326 5 20 IIBD Cc1c(C(=O)O[C@@H](C)C(=O)c2ccccc2C(F)(F)F)cc([N+](=O)[O-])cc1[N+](=O)[O-] 789032203 LHFGJLQGKGWAFR-JTQLQIEISA-N 426.303 4.258 5 20 IIBD C[C@@H](OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(=O)c1ccccc1C(F)(F)F 789078911 NBMHAGQJCZIGAO-GFCCVEGCSA-N 433.342 4.228 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)[C@@H]1CC(c2cccnc2)=NO1 790799398 GQHVDWVRJBYXSW-INIZCTEOSA-N 426.479 4.334 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)c2ccncc2Cl)cc1 791719856 PWCLVFWGJZPIDP-UHFFFAOYSA-N 442.811 4.484 5 20 IIBD C[C@H](Nc1ccc(C(=O)Oc2cccc(-c3ncnn3C)c2)cc1[N+](=O)[O-])c1ccccn1 792148800 SBBGCLIZFGUSTI-HNNXBMFYSA-N 444.451 4.178 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1[N+](=O)[O-] 793072161 KUKKSOFBJDKVGF-INIZCTEOSA-N 441.450 4.412 5 20 IIBD C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 793598339 NWYKKHICKJXUEG-AUUYWEPGSA-N 447.417 4.292 5 20 IIBD CN(Cc1nc(COc2cccc(F)c2)no1)c1cc(Br)ccc1[N+](=O)[O-] 795679168 UHADCUCMOMMASL-UHFFFAOYSA-N 437.225 4.095 5 20 IIBD O=C(N(CCn1ccnc1)Cc1cccc(Cl)c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 797700535 SGYBRZAAPYLAMP-UHFFFAOYSA-N 434.830 4.266 5 20 IIBD CN(Cc1cccc(Br)c1OC[C@H]1CCCO1)c1ccc(N)cc1[N+](=O)[O-] 804644548 HEBPCELYUNGQTO-OAHLLOKOSA-N 436.306 4.134 5 20 IIBD CCN(C)C(=O)CSc1ccc([C@@H](C)OC(=O)c2cc(OC)ccc2[N+](=O)[O-])cc1 809074750 KSPLXDLRIGHHEN-CQSZACIVSA-N 432.498 4.092 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCO1 809953269 KOOKDLNTVIEOEI-IAQYHMDHSA-N 434.320 4.016 5 20 IIBD O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccn(Cc2ccccc2)c1=O 811216129 HEDJNSTWWVEBNQ-UHFFFAOYSA-N 447.472 4.285 5 20 IIBD O=C(NC[C@@H]1CCCCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1Br 812368890 COPRMPIGMLCLTO-KRWDZBQOSA-N 446.345 4.389 5 20 IIBD COc1ccc([C@@H](O)C2CCN([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 812856345 OZDONTHQOBOOEW-LHSJRXKWSA-N 447.919 4.029 5 20 IIBD COc1ccc([C@@H](O)C2CCN(C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 812891511 IZAJTMDBLVCZGJ-KSFYIVLOSA-N 427.501 4.128 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 815216759 OWEVLBAVYGAMMT-QWHCGFSZSA-N 445.438 4.379 5 20 IIBD Cc1ccc([C@@H](OC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c2cncn2C)cn1 816315822 GTVDBBWUYOWFQI-LJQANCHMSA-N 435.465 4.102 5 20 IIBD CC(C)(C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)c1ccccc1[N+](=O)[O-] 816603339 GBKNGRVSBUSBAR-UHFFFAOYSA-N 448.273 4.128 5 20 IIBD CC(C)(NC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1)c1ccccc1[N+](=O)[O-] 817038798 IIJUUBJZSFIGHU-UHFFFAOYSA-N 425.363 4.371 5 20 IIBD C[C@@H](NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)c1ccc(C(F)(F)F)nc1Cl 817875102 LLNUQBKGCDMZSB-YMTOWFKASA-N 442.781 4.032 5 20 IIBD O=C(Nc1ccc(-c2nnc3n2CCCCCC3)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc12 914753037 NFWVSBIMYPFYDC-UHFFFAOYSA-N 431.456 4.098 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 914837417 IOMTXIBAXAJUAD-OAHLLOKOSA-N 437.279 4.497 5 20 IIBD O=C(N[C@H](c1cccs1)C1CC1)c1cc([N+](=O)[O-])ccc1I 915280394 KBVXNDBXDYRQQT-AWEZNQCLSA-N 428.251 4.142 5 20 IIBD CC(=O)Nc1ccc(NC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1C 915342203 STKIMNSGWUIQCX-UHFFFAOYSA-N 439.394 4.114 5 20 IIBD O=C(NCCNc1nc2ccccc2s1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 917098757 QWKLOCQUEQLMJA-UHFFFAOYSA-N 425.514 4.037 5 20 IIBD CCOc1ccccc1[C@@H](CC)NC(=O)COC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 919212488 SLKLGTLZQZEAPB-QGZVFWFLSA-N 426.425 4.164 5 20 IIBD C[C@@]12CC3CC(C(=O)NS(=O)(=O)c4c(Cl)cccc4[N+](=O)[O-])(C1)C[C@](C)(C3)C2 920331226 JLEMSWAWSLQPSA-CMXJYWLISA-N 426.922 4.050 5 20 IIBD C[C@@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)N1Cc2ccc([N+](=O)[O-])cc2C1 1116330532 GPVDMBWNUFXTNP-AWEZNQCLSA-N 436.493 4.251 5 20 IIBD COc1cc(F)cc(F)c1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1Nc1ccccc1 1251964709 YRMULXXUKOYDCV-UHFFFAOYSA-N 435.408 4.426 5 20 IIBD Cc1nn(C)cc1CCC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 1318570126 YCOHGJXVKGYCCK-UHFFFAOYSA-N 446.866 4.471 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cc(F)ccc2NC(=O)OC(C)(C)C)cc1C 1318730921 SWUNALZWBJXUBI-UHFFFAOYSA-N 439.465 4.499 5 20 IIBD O=C(COc1ccc(C2SCCCS2)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 1319052899 LHVOEQDJXVDJLW-UHFFFAOYSA-N 430.551 4.427 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@H](C)c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] 1319648100 JWUYWQWHDNZISU-YJYMSZOUSA-N 433.867 4.178 5 20 IIBD Cc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c2c1[C@H](C)CC2=O 1321804150 QIWSLHQMDCNVCW-SNVBAGLBSA-N 440.271 4.123 5 20 IIBD CCOc1ccc(O[C@H](C)c2nnc(-c3nnn(-c4cccc([N+](=O)[O-])c4)c3C)o2)cc1 1326054941 JNROBICHBWKWNP-CQSZACIVSA-N 436.428 4.073 5 20 IIBD CS(=O)(=O)c1ccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1Cl 1342228855 LUTMYIFOWJGOCH-UHFFFAOYSA-N 435.310 4.036 5 20 IIBD C[C@H]1CCC[C@@H]1C(=O)Nc1ccc(C2(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)CCC2)cc1 1789205000 AVSCBELZWBQYQE-KXBFYZLASA-N 437.496 4.484 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)ccc1F)c1ccc([N+](=O)[O-])cc1F 1792775192 ARHBAJHAYFQHHK-BTTYYORXSA-N 449.841 4.092 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(F)cccc1Cl)c1cccc(F)c1[N+](=O)[O-] 1799542723 IVGRGQQMGGYMMU-CLLJXQQHSA-N 449.841 4.092 5 20 IIBD C[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C2)c1cccs1 1802846616 RGKSSLJIRRTHLB-OQIJWPOYSA-N 441.553 4.031 5 20 IIBD Cc1ccsc1C(=O)N1CCC2(CCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)CC1 1804751667 DOQPISAGYSWVBP-UHFFFAOYSA-N 441.553 4.052 5 20 IIBD CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nc2sc(C)c(C)c2c1=O 9357445 PTTITSPDNYCLBW-UHFFFAOYSA-N 432.527 4.042 5 20 IIBD Cc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)n2C)cc1 10263775 LTAYSGSPVXVDMS-LBPRGKRZSA-N 431.905 4.471 5 20 IIBD C[C@H](OC(=O)[C@H](C)Oc1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 10285677 YMTWWFFMYZRVHD-QWRGUYRKSA-N 427.240 4.239 5 20 IIBD CCc1cccc(C)c1NC(=O)COC(=O)Cn1c2ccccc2c(=O)c2ccccc21 10722708 VLKHBVUUMOJNCG-UHFFFAOYSA-N 428.488 4.207 5 20 IIBD O=C(OCc1cc(=O)n2ccccc2n1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 15350602 SNNYZOYUOANYRN-UHFFFAOYSA-N 433.445 4.111 5 20 IIBD C[C@@H]1CCCN(C(=O)COC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 20970940 YCHACLSOBOKTBR-CQSZACIVSA-N 432.860 4.456 5 20 IIBD Cc1ccc(-n2nc(C)c(NC(=O)COC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2C)cc1 23583491 CXJBMWSXEVDQSB-UHFFFAOYSA-N 442.859 4.155 5 20 IIBD COc1ccc(NC(=O)CCSc2nnc(-c3ccco3)n2CC(C)C)c([N+](=O)[O-])c1 26343271 QUWPQXGJVRIKON-UHFFFAOYSA-N 445.501 4.232 5 20 IIBD CCOc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])cc1OC 28000136 QENMISYREHEPLC-CQSZACIVSA-N 444.484 4.484 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCc2cccc([N+](=O)[O-])c2)c1 28289123 XTKYIVQJMQUVGG-UHFFFAOYSA-N 440.477 4.167 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 43741307 HGXXGQCNVGRFSE-MRXNPFEDSA-N 439.493 4.195 5 20 IIBD CCOc1ccc(OCC)c(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c1 45644683 VBJGKRZVRMGGFO-UHFFFAOYSA-N 426.372 4.255 5 20 IIBD CC(=O)CCc1ccc(OCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 57984985 XRHVFZUZIIAZEW-UHFFFAOYSA-N 425.466 4.257 5 20 IIBD O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 58142915 KSYHHFBRXLNWBH-UHFFFAOYSA-N 436.449 4.129 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(OCC(=O)N[C@@H](c2ccc(C)cc2)c2cccs2)c1 60805719 RUQOYCHCJDIUTM-NRFANRHFSA-N 440.477 4.036 5 20 IIBD Cc1sc2nc(SC[C@H](O)COc3cccc([N+](=O)[O-])c3)n(C(C)C)c(=O)c2c1C 61727845 HQIDVBHLSZTCIA-OAHLLOKOSA-N 449.554 4.096 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)CCc1ccco1 69573350 FVMNUWZSAMTWSA-OAHLLOKOSA-N 445.497 4.430 5 20 IIBD CCc1ccc([C@@H]2CCCCCN2C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])o1 97593368 JEKSQZQDPPHNFY-INIZCTEOSA-N 431.514 4.085 5 20 IIBD COc1cc(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])cc1OC(F)F 108087218 UDLMUPSYZBYKAF-GOSISDBHSA-N 428.819 4.432 5 20 IIBD CCCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCN(C(=O)c2ccccc2)CC1 110205691 HIHHMNRWZXNZNR-UHFFFAOYSA-N 429.904 4.405 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] 110366075 DJNAOFLODZBTJA-LJQANCHMSA-N 449.429 4.185 5 20 IIBD O=C(Cc1cccc(F)c1)NCCNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 237880591 YSBIMMVDVHCPPH-UHFFFAOYSA-N 441.434 4.114 5 20 IIBD O=[N+]([O-])c1cnc(N2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)c(Br)c1 301720403 PUJSUQIZZWHCHZ-LPHOPBHVSA-N 431.334 4.243 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1Cl 302151705 HTKDFOPNJIQXDJ-JTQLQIEISA-N 432.786 4.092 5 20 IIBD CCSc1cccc(-c2noc(CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)n2)c1 426590882 KPBNHTJQNPXCRM-UHFFFAOYSA-N 426.454 4.298 5 20 IIBD O=C(c1ccc(C(=O)N2CCC[C@@H]3CCC[C@H]32)cc1[N+](=O)[O-])N1CCC[C@@H]2CCC[C@@H]21 426780815 VQFGFKNQTZTLHE-PZBISTMVSA-N 425.529 4.404 5 20 IIBD O=C(N[C@@H]1CCn2ccnc2C1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 428350820 WHIKONAGFUXDCN-OAHLLOKOSA-N 428.901 4.341 5 20 IIBD CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])cc21 429808872 NICKPECVYHIHQC-UHFFFAOYSA-N 425.485 4.283 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccco2)c2ccccc2OC)cc1SC 431105280 AQBJTEAXCVYSQD-HXUWFJFHSA-N 428.466 4.446 5 20 IIBD C[C@@H]1CN(Cc2ccccc2NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H](C)O1 432649398 PWOHFBQLWFCKNJ-ZIAGYGMSSA-N 448.317 4.219 5 20 IIBD O=C(Nc1cccc(C(=O)Nc2ccccn2)c1)c1cc(Br)cc([N+](=O)[O-])c1 432686415 UAQOUDQDCHDKNF-UHFFFAOYSA-N 441.241 4.257 5 20 IIBD O=C1Nc2cc(Cl)ccc2S[C@H]1CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437473993 NIFSHTBNRBJOTF-SFHVURJKSA-N 431.901 4.242 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 439708986 UOTRUTQCOAWCKZ-HXUWFJFHSA-N 429.448 4.119 5 20 IIBD Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 443877439 BTGNSLLCWRVPQM-INIZCTEOSA-N 439.415 4.076 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCC[C@@H](N2CCCC2)CC1 444098133 WZWXLRWCNGIVGL-MRXNPFEDSA-N 425.479 4.050 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NC[C@H]2Cc3ccccc3N(C)C2)cc1[N+](=O)[O-])c1ccccn1 444336640 ADANXMCPIAGJAR-QZTJIDSGSA-N 445.523 4.201 5 20 IIBD Cc1nc(NC(=O)c2cnc(O)c([N+](=O)[O-])c2)sc1-c1nc2ccccc2n1C(F)F 444831296 BQPVJRCQIZNIDP-UHFFFAOYSA-N 446.395 4.124 5 20 IIBD C[C@H](c1ccc(F)c(F)c1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 446945219 CYPDYESNZNXSJA-SECBINFHSA-N 435.246 4.017 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCc4ccc(F)cc4C3)n2C[C@H]2CCCCO2)c1 461657016 FOMBHPCGHRVECE-OAQYLSRUSA-N 437.475 4.124 5 20 IIBD COCc1nc(CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2C)cs1 462552005 CSYACDKWLDOFCY-UHFFFAOYSA-N 447.538 4.210 5 20 IIBD CS(=O)(=O)c1cccc([C@H](Nc2nc3sccn3c2[N+](=O)[O-])c2ccc(F)cc2)c1 463077207 NAKQXTZNEMNPOU-MRXNPFEDSA-N 446.485 4.048 5 20 IIBD CCN(C)C[C@H]1CCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 464793770 ORBARLDIAZNVKQ-IIBYNOLFSA-N 430.936 4.202 5 20 IIBD CC(C)CCOc1ccc([C@H](C)NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 465163810 HNOSNSSWAQOYEP-INIZCTEOSA-N 428.485 4.211 5 20 IIBD C[C@H](NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 467869217 WCGRNAJFFGDFHL-HNNXBMFYSA-N 427.482 4.036 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 468249290 FAYHFFUHJUOITI-UHFFFAOYSA-N 447.417 4.133 5 20 IIBD COC(=O)c1cc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc(Br)c1F 470098309 VCAOEOQSSDPVPS-QMMMGPOBSA-N 443.200 4.164 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2cccc3cnccc23)C[C@H]1C 470411045 HFUVPVGHPKKJQT-UYAOXDASSA-N 432.524 4.449 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cccc(CCC(=O)OC(C)(C)C)c1 471358271 SKFDSWGWAYSVRX-UHFFFAOYSA-N 429.473 4.199 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 472629304 VAJUVRHSRRRCOR-UHFFFAOYSA-N 437.880 4.109 5 20 IIBD CCC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1)C(=O)Nc1cccc(N2CCCC2)c1 473771285 YFPBLYGMJVJAFG-HXUWFJFHSA-N 439.516 4.432 5 20 IIBD COC(=O)COc1ccc(CN2CCC[C@H](COc3ccccc3Cl)C2)cc1[N+](=O)[O-] 475701250 KVGIZGIXPUIJBD-KRWDZBQOSA-N 448.903 4.091 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F 478454921 GYNRVBFWCWTWDV-KRWDZBQOSA-N 445.825 4.309 5 20 IIBD COc1ccc(Cl)cc1-c1cc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])n[nH]1 479121447 POXZXJGFPFUCAO-UHFFFAOYSA-N 436.877 4.065 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1 481973768 LGLDTUMUOISBHZ-HNNXBMFYSA-N 429.546 4.045 5 20 IIBD Cn1ccnc1C[C@@H]1CCCN(c2c([N+](=O)[O-])cnc3ccc(Br)cc23)C1 481985351 XCGNACZYDXVHIN-ZDUSSCGKSA-N 430.306 4.098 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N2CCO[C@H](C(C)C)C2)cc1[N+](=O)[O-] 482506755 SZEKLSBBQRDSRA-IBGZPJMESA-N 428.510 4.045 5 20 IIBD COC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 486460104 NNKRMNDZXNIVOJ-WMZHIEFXSA-N 426.469 4.026 5 20 IIBD COc1ccc([C@@H]2CCCN2C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 488075316 OACBFYWIKMTEJH-SFHVURJKSA-N 433.892 4.355 5 20 IIBD O=C(COc1ccccc1Br)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 488341263 BXJBBABYZJJYTO-UHFFFAOYSA-N 447.207 4.327 5 20 IIBD CCc1cccc(Oc2ccc(NC(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)cn2)c1 488350604 PNHUSPOGFFMGNV-UHFFFAOYSA-N 436.472 4.410 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CC)[C@H]1CN(Cc2ccccc2)CCO1 489183083 ZUCXXNLXTAGBRG-LEWJYISDSA-N 443.569 4.116 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1 489510175 NYHJFGUJFDZDFL-INIZCTEOSA-N 449.504 4.316 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] 489894355 YRQDNMCYTNJLCC-LLVKDONJSA-N 427.427 4.266 5 20 IIBD C[C@H]1C[C@@H]1c1cc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n[nH]1 490244462 KSOWACWHHIGSTE-YWZLYKJASA-N 442.479 4.475 5 20 IIBD Cc1cc(C)c(S(=O)(=O)N(C)c2ccc(Br)cc2Cl)cc1[N+](=O)[O-] 491550808 ZAFKFYDYLQFIJM-UHFFFAOYSA-N 433.711 4.453 5 20 IIBD Cc1cc(Br)c(S(=O)(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)s1 497986060 XQLCOMMUBZLUTL-CYBMUJFWSA-N 449.373 4.164 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)C(C)(C)c1csc(-c2ccccc2F)n1 499196041 SEVVDLNOYWBFQV-UHFFFAOYSA-N 429.473 4.460 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C(=O)N3CCSCC3)c2C)c1 499471677 OLPDLNDUGZOCKS-UHFFFAOYSA-N 431.539 4.066 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc([C@@H]2CN(Cc3ccccc3)CCO2)no1 500833457 HTQPGOFGEFJYTE-LIRRHRJNSA-N 444.875 4.345 5 20 IIBD CCC[C@@H](NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)c1nnc2ccccn12 504758178 YOQCRIYDUASRHM-FUHWJXTLSA-N 436.516 4.145 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1CNC1CCN(Cc2coc(-c3ccccc3)n2)CC1 508097898 BBDWQZLKUNRXAC-UHFFFAOYSA-N 436.512 4.403 5 20 IIBD COc1cc(C(=O)N2CCCc3cccc(F)c32)c([N+](=O)[O-])cc1OCc1cscn1 508800168 JHFBSJYUVLYFSK-UHFFFAOYSA-N 443.456 4.371 5 20 IIBD O=C1CCCN1C[C@H](NCc1c(F)cc([N+](=O)[O-])cc1F)c1cccc(C(F)(F)F)c1 508992622 VHWULCSGDUEMQJ-SFHVURJKSA-N 443.372 4.345 5 20 IIBD C[C@@H]1CN(Cc2csc(NC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)n2)C[C@@H](C)O1 509227573 NWPSNIQGIXOVHC-ZIAGYGMSSA-N 432.546 4.210 5 20 IIBD Cc1cccc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2I)c1 509757623 COYNNSSVYKYVTL-QGZVFWFLSA-N 436.249 4.485 5 20 IIBD Cc1c(Br)cc(C(=O)N[C@H](C)c2noc(Cc3ccccc3)n2)cc1[N+](=O)[O-] 510442839 LFXFXFMALKGAKE-GFCCVEGCSA-N 445.273 4.131 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCC[C@H](c4nncn4C)C3)cc2[N+](=O)[O-])cc1 511264458 FPOQTTYZGYWKJX-KRWDZBQOSA-N 437.525 4.203 5 20 IIBD O=C1[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)CCN1c1cccc(OC(F)(F)F)c1 511705035 DALARFVMYCWGRK-KRWDZBQOSA-N 432.358 4.259 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(I)c(Cl)c1 512962084 WPFVBHIILUKCOD-UHFFFAOYSA-N 444.656 4.168 5 20 IIBD COc1cc(CNCc2cn(-c3ccccc3)nc2C)c([N+](=O)[O-])cc1OCC(F)F 513393528 CFNCFKRLQWVNEV-UHFFFAOYSA-N 432.427 4.031 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@@H]3CCN(c4ccccc4)C3)cc2[N+](=O)[O-])C1 515554387 ADJWIDDNKBQHIU-ZCNNSNEGSA-N 436.556 4.333 5 20 IIBD CCCN(C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)[C@H](C)c1cc2ccccc2o1 516334488 SMRZFLDRTCSPAG-CQSZACIVSA-N 430.482 4.358 5 20 IIBD O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 517440667 ZGKIUAKRMPHQMV-KRWDZBQOSA-N 437.258 4.337 5 20 IIBD CCc1nc([C@@H](C)NC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cs1 517705885 QXVDFCLFVKZCCS-SNVBAGLBSA-N 431.440 4.105 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@H](c1ccc(Cl)cc1)C1CCCC1 517857481 IGBXAWUOJCEGPR-NRFANRHFSA-N 429.904 4.416 5 20 IIBD COc1ccc(CNC(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc1[N+](=O)[O-] 518387819 KTSZTGDXHZKNQJ-UHFFFAOYSA-N 438.465 4.473 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)c1 518698146 ZEJCDILFMNQKBR-UHFFFAOYSA-N 426.075 4.465 5 20 IIBD C[C@H]1CCC[C@H](OCc2cccc(NC(=O)C(=O)N(C)Cc3ccccc3[N+](=O)[O-])c2)C1 521118926 FCHPMGHVWWPMPD-UWJYYQICSA-N 439.512 4.287 5 20 IIBD CCOc1ccc(NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)c(C(F)(F)F)c1 521244156 OHNYSGDPMSYEDX-UHFFFAOYSA-N 435.362 4.154 5 20 IIBD C[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccc(OCc2cccnc2)cc1 521533523 DYSKUABYOZFRTR-QGZVFWFLSA-N 430.464 4.401 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] 521918599 FWMJKMHPAMSARX-UHFFFAOYSA-N 439.390 4.046 5 20 IIBD CCN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@H](c1ccc(Br)cc1)c1cccnc1 522176340 MLDZBZBOKJNAGS-LJQANCHMSA-N 443.301 4.343 5 20 IIBD COc1cc(CCNC(=O)Nc2cccc(N3CCC(C)CC3)c2)c([N+](=O)[O-])cc1OC 525347105 MGFLOEYVFRAXBK-UHFFFAOYSA-N 442.516 4.213 5 20 IIBD CCCCN(C)S(=O)(=O)c1ccc(NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 534057291 DJNWPISBAMKUBM-UHFFFAOYSA-N 444.513 4.283 5 20 IIBD CN1CCC(N(C)[C@@H]2CCCC[C@H]2N(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 535849375 YRSCAIGHTBJHQT-WOJBJXKFSA-N 444.601 4.219 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)c1 538417822 VIJMGMRXDSAQJD-LJQANCHMSA-N 449.301 4.035 5 20 IIBD CC[C@H](C)n1nc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1C 538690640 XLGNPPNJTJQSKZ-ZDUSSCGKSA-N 439.438 4.052 5 20 IIBD CCOc1ccc(Oc2cc(CNc3sc(S(C)(=O)=O)cc3[N+](=O)[O-])ccn2)cc1 538743122 CTUGEJHQBKLYQL-UHFFFAOYSA-N 449.510 4.258 5 20 IIBD C[C@H](N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 539492683 HDDCRQCBTPBYRQ-FKIZINRSSA-N 431.876 4.087 5 20 IIBD C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 542190694 QBOJLJBZSUWZLK-MUDIAHQHSA-N 426.947 4.297 5 20 IIBD CCCc1c(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cnn1-c1cccc(F)c1 543345692 XHSNWFLVWBWJQL-UHFFFAOYSA-N 435.415 4.378 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 543346788 BBGZWPPRPZESGM-YEWWUXTCSA-N 449.866 4.092 5 20 IIBD CSc1nnc(CCCN=c2cc(C)[nH]c3ccc([N+](=O)[O-])cc23)n1C1CCCC1 543960042 PBCKXDCTNVYQOQ-UHFFFAOYSA-N 426.546 4.347 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F 544413491 CYUVWWVERJORCP-FMTVUPSXSA-N 439.281 4.492 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1noc([C@@H]2CCCN(Cc3cccc(F)c3)C2)n1 546380409 RQADXOJEUFTGKZ-QGZVFWFLSA-N 425.464 4.151 5 20 IIBD Cc1cc(NC(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)ccc1[N+](=O)[O-] 547450077 GGIAYPMZJOIZFK-UHFFFAOYSA-N 437.283 4.200 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 550676911 NGEQVLWRXSLPLA-RHSMWYFYSA-N 446.345 4.449 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O 554214944 VPKZKLLQHNHEOG-IBGZPJMESA-N 448.882 4.113 5 20 IIBD NC(=O)c1cccc(N[C@H]2CCCc3c2[nH]c2ccc(Br)cc32)c1[N+](=O)[O-] 554689978 NNJXWYUOOANEOC-HNNXBMFYSA-N 429.274 4.427 5 20 IIBD COc1cc(C(=O)NC2(c3ccc(Br)cc3)CCC2)c([N+](=O)[O-])cc1OC 556160785 NQTAWPIJXSBWBI-UHFFFAOYSA-N 435.274 4.184 5 20 IIBD C[C@@H]1CC(CCNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C[C@@H](C)O1 558813415 GUTDEYNTSWBBKW-VXGBXAGGSA-N 441.315 4.411 5 20 IIBD C[C@@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1nccn1-c1ccccc1 565911891 GWLYMWQRYOXGLH-CYBMUJFWSA-N 434.374 4.213 5 20 IIBD Cc1cc(C)n(-c2ccc(CNc3cccc(C(N)=O)c3[N+](=O)[O-])c(C(F)(F)F)c2)n1 571187672 DQRNLJRAXIWBFF-UHFFFAOYSA-N 433.390 4.127 5 20 IIBD CCCN(Cc1ccc(C)cc1)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C 579189847 FUFVZSOXDMAKFP-UHFFFAOYSA-N 448.317 4.351 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@](CO)(C(C)C)C2)cc1 582806213 GOACPRZMMIGLHP-QHCPKHFHSA-N 428.485 4.266 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CC[C@H](C(F)(F)F)[C@@H](CO)C1 587565218 JGZBDBQJZBNIBU-WBMJQRKESA-N 432.464 4.262 5 20 IIBD CC(C)(C)[C@H](NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(F)cc1F 589025283 HYTOXPJNFNUYPC-HXUWFJFHSA-N 445.466 4.268 5 20 IIBD CCC[C@]1(CO)CCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 589529713 AHVJCMIGCZQYBD-VWLOTQADSA-N 448.523 4.001 5 20 IIBD CCOc1cc(CN[C@H]2CCC[C@H]2F)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 590196067 AZZXZMJLQGUPFM-UXHICEINSA-N 446.475 4.419 5 20 IIBD O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 603738281 CUKNRODKTJRBOI-UHFFFAOYSA-N 437.374 4.024 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)cc([N+](=O)[O-])c1 603940051 OKKZQMGVWSJBTM-UHFFFAOYSA-N 434.452 4.224 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(N[C@@H](C)c3nc(C4CC4)no3)cc2)cc1[N+](=O)[O-] 604044022 OKWVGPIHHNRRBG-ZDUSSCGKSA-N 443.485 4.138 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1c(-c2ccccc2)ncn1C1CC1 604537405 UVRPSEXYAMICFQ-UHFFFAOYSA-N 447.451 4.120 5 20 IIBD COc1cc(CCNC(=O)NCC2(c3ccc(Cl)cc3)CCC2)c([N+](=O)[O-])cc1OC 608892924 NAYPNCXMBLYPDC-UHFFFAOYSA-N 447.919 4.229 5 20 IIBD CCN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@@H](C)c1cccc(C(F)(F)F)c1 609442653 QUNIFOUMANBGIX-ZDUSSCGKSA-N 433.390 4.418 5 20 IIBD CCc1ccc2c(c1)[C@@H](CCNC(=O)c1csc(-c3cccc([N+](=O)[O-])c3)n1)C(=O)N2 609525843 NACAVXRROZHNFY-MRXNPFEDSA-N 436.493 4.137 5 20 IIBD COc1cc(C(=O)N2CCC[C@H]2c2cccnc2)c([N+](=O)[O-])cc1OCc1cscn1 609814161 IIPOSGSIAPMAFS-KRWDZBQOSA-N 440.481 4.011 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(-c3ccc(C)cc3)nc3onc(C)c23)cc([N+](=O)[O-])c1 609884441 AEPWJVCGGINDQL-UHFFFAOYSA-N 446.419 4.454 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 610598016 OXKRYIHFRPIANJ-STQMWFEESA-N 439.356 4.010 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(SCc2ccccc2)cn1 611087098 VUVQAXOTVSVKKJ-UHFFFAOYSA-N 436.493 4.041 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1F)Nc1cc(C(F)(F)F)ccc1-n1cncn1 613527020 SFVAOAUFYAIDBQ-UHFFFAOYSA-N 441.366 4.064 5 20 IIBD COc1ccc([C@@H](NC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c2ccccc2)cc1 618339760 KAQHDCFRHYUSJW-QFIPXVFZSA-N 431.452 4.069 5 20 IIBD O=C(NCCC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 728034367 NSBYXNFCGQJZJF-GOSISDBHSA-N 435.402 4.097 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc1 729470221 GTJVQTRZHDKVLQ-INIZCTEOSA-N 441.484 4.024 5 20 IIBD COc1ccc(/C=C(\Cl)c2nnc(C(=O)NCc3ccccc3)s2)cc1[N+](=O)[O-] 730151460 KUUVTFUIPHIOQW-ZROIWOOFSA-N 430.873 4.122 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1 730633149 XXJNAGWPXMWGME-UHFFFAOYSA-N 447.419 4.185 5 20 IIBD Cc1ccc(S(=O)(=O)c2ccc(COC(=O)c3ccc([N+](=O)[O-])c(F)c3)cc2)cc1 731519052 PBTCMHDYUKNNID-UHFFFAOYSA-N 429.425 4.232 5 20 IIBD O=C(OCC(=O)c1cccc([N+](=O)[O-])c1)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 731699535 XPWQQDNENIEMBM-JOCHJYFZSA-N 429.432 4.328 5 20 IIBD CC(C)(C)OC(=O)NCc1cccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1 732124087 UNWJHPBJSHGFQY-UHFFFAOYSA-N 437.456 4.058 5 20 IIBD O=C(Nc1cccc(OS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1)c1cccs1 734156741 USFYPLGXNZTLEM-UHFFFAOYSA-N 438.870 4.330 5 20 IIBD O=[N+]([O-])c1ccc2nc(Sc3ccc(CN[C@@H](CO)C4CC4)cc3[N+](=O)[O-])sc2c1 734163722 HBMNSNNMRAKXQJ-HNNXBMFYSA-N 446.510 4.124 5 20 IIBD O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1SCC(=O)N1CCCC1 734882809 TZRNWXPQFXEKOQ-UHFFFAOYSA-N 434.901 4.320 5 20 IIBD O=C(OCc1nn(-c2ccc(F)cc2)c2c1CCC2)c1cc(O)nc2ccc([N+](=O)[O-])cc12 735354819 PCMQZEGPJGWAHF-UHFFFAOYSA-N 448.410 4.019 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-c2ccccc2)cc1F 740502281 FGZOVJXXMSBTAN-UHFFFAOYSA-N 435.455 4.479 5 20 IIBD O=C(Cc1c[nH]c2ccc(Cl)cc12)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 740553388 KVRBTLPLJSICGR-MRXNPFEDSA-N 441.871 4.120 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(Cl)c1 740816638 KUISXFDVYOKZSB-GOSISDBHSA-N 433.892 4.473 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(CC1CCC1)[C@@H](C)c1ccccc1 740850708 VKQKEXUNEAASNV-INIZCTEOSA-N 426.469 4.185 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 741957320 LGQDUJVNQJFVSJ-ZMZPIMSZSA-N 437.861 4.198 5 20 IIBD C[C@@H](OC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 744884671 USJFVWOOOKGQKG-CJNGLKHVSA-N 446.460 4.039 5 20 IIBD O=C(Nc1cnn(C(F)F)c1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 745354916 GLQOSZPBSARYIT-UHFFFAOYSA-N 433.337 4.060 5 20 IIBD C[C@H](C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(Br)s1 745640136 LFDRCTZUSDOOQE-QMMMGPOBSA-N 447.694 4.358 5 20 IIBD C[C@H](OC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl 748375548 JZAZOFBZUQBDAQ-NSHDSACASA-N 426.256 4.005 5 20 IIBD Cn1c(SC[C@H](O)c2cccc([N+](=O)[O-])c2)nc2sc(-c3ccccc3)cc2c1=O 749637843 AVDXPNPNPIJGNE-KRWDZBQOSA-N 439.518 4.396 5 20 IIBD O=C(Nc1cccc(COC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1)c1ccccc1 750426080 JFIZMVMVLGRVEO-UHFFFAOYSA-N 442.431 4.390 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(Br)cc1[N+](=O)[O-] 750818727 BFUIMIQWTVGRTN-UHFFFAOYSA-N 432.133 4.119 5 20 IIBD O=C(COC(=O)c1c(F)ccc([N+](=O)[O-])c1F)N[C@@H](c1ccccc1)C1CCCCC1 752557568 BAIOARRQUMAQRW-NRFANRHFSA-N 432.423 4.468 5 20 IIBD Cc1ccc(Cn2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3Br)c2=O)cc1 754416246 LUSMDDXDKKFUCG-UHFFFAOYSA-N 442.269 4.128 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC([C@H](O)c2ccccc2)CC1 755024905 PWEKQCCPDXCIQE-GOSISDBHSA-N 434.290 4.335 5 20 IIBD O=C(OCCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1csc([C@H]2CCCO2)n1 756529414 PANKYHBHDMLGEC-CQSZACIVSA-N 432.376 4.157 5 20 IIBD Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] 759068808 XJAHAGXSZOQIAI-QGZVFWFLSA-N 440.953 4.076 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCC[C@H]1c1ccc(C(C)C)cc1 760023363 TUCMNTDTOQIYAX-IBGZPJMESA-N 426.469 4.282 5 20 IIBD Cc1cc(Sc2ncccn2)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1F 760357547 VKOUXKKEGARCOR-UHFFFAOYSA-N 434.474 4.093 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(CC(F)(F)F)c2)ccc1Br 760361338 COFQTSYGGKNQHR-UHFFFAOYSA-N 439.209 4.263 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1nn(-c2ccc(F)cc2)c2c1CCC2 760481758 GWERDCFVTQZJCA-UHFFFAOYSA-N 448.410 4.420 5 20 IIBD C[C@H](OC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C(=O)Nc1ccc(N2CCCCC2)cc1 762906592 LXAJYTNCZJWTHB-HNNXBMFYSA-N 436.468 4.250 5 20 IIBD COc1ccc(OC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c(Br)c1 763663738 YSACVRAWAJVGFM-UHFFFAOYSA-N 435.274 4.188 5 20 IIBD CC[C@@H](C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc(F)cc1 764655753 LZLZDRNUHOPJMJ-CQSZACIVSA-N 428.338 4.428 5 20 IIBD CCc1ccc(C(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)cc1S(C)(=O)=O 766417731 UZEUDTDMRAZQGI-UHFFFAOYSA-N 436.917 4.271 5 20 IIBD O=C(NCc1ccc(-n2ccnc2)nc1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 767847518 AHKUBUXDYPRWTO-UHFFFAOYSA-N 431.477 4.257 5 20 IIBD COCc1ccc([C@@H]2CCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)o1 768669440 JYZRRKNKARIXNT-ZDUSSCGKSA-N 427.226 4.213 5 20 IIBD O=[N+]([O-])c1cccc(CN(C2CC2)S(=O)(=O)c2cc3ccc(Cl)nc3cc2F)c1 769448301 SODCUISWPWISCB-UHFFFAOYSA-N 435.864 4.289 5 20 IIBD Cc1cnn(Cc2ccccc2F)c1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 769494152 GOSRALLFPICZNX-UHFFFAOYSA-N 427.392 4.064 5 20 IIBD Cc1c(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)nnn1-c1ccccc1Cl 770331392 UEYYGDVYHSGMIO-UHFFFAOYSA-N 436.653 4.152 5 20 IIBD CN(C)C(=O)Sc1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 770420283 WZKBNMISYJPNFR-UHFFFAOYSA-N 430.305 4.445 5 20 IIBD CCN(CCC1CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1)CC(C)C 773250588 BAFRICCTVIHRNL-UHFFFAOYSA-N 447.548 4.176 5 20 IIBD COC[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1ccc(F)c(F)c1 774026577 XLBXYYLFSFQSDH-CYBMUJFWSA-N 449.635 4.406 5 20 IIBD O=C(NCc1cc(Cl)ccn1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 776234992 KCESEZQNGHHUMR-UHFFFAOYSA-N 426.647 4.066 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2F)cc1[N+](=O)[O-] 777604267 WCKYKXNKGUWBHA-UHFFFAOYSA-N 445.428 4.380 5 20 IIBD COc1ccc(Oc2cc(CNC(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)ccn2)cc1 777946799 ITMSDVBKIMCZQI-UHFFFAOYSA-N 429.379 4.199 5 20 IIBD COc1cc(COC(=O)c2ncccc2C(F)(F)F)c([N+](=O)[O-])cc1OCC(F)F 780088334 PTCFWPJGBOXDPI-UHFFFAOYSA-N 436.289 4.018 5 20 IIBD CCOc1cc(N2CCOC(C)(C)C2)ccc1N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 780160291 VAEVMLUCTWUVOP-MRXNPFEDSA-N 442.516 4.048 5 20 IIBD COc1cc(/C=C/C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc(Br)c1O 781097340 HQXDTRPBCJYCRQ-RUDMXATFSA-N 435.274 4.136 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(Cn2cnc3ccccc32)cc1 781636317 VXEYCQNNLNKYJY-UHFFFAOYSA-N 445.435 4.472 5 20 IIBD CCS(=O)(=O)c1ccc(Br)c(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)c1 781644244 KRRFVRXWFPAYFI-UHFFFAOYSA-N 447.694 4.057 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H](O)c2cc(F)cc(Cl)c2)CC1 787819999 STBMHNLFKBLCOM-HXUWFJFHSA-N 435.883 4.087 5 20 IIBD Cc1cn(-c2c(F)cccc2F)nc1C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 787829371 MQLDADAUEALRNJ-UHFFFAOYSA-N 440.362 4.379 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(COC(=O)[C@H]2CCC(=O)c3cccn32)cc1OC 789225885 BNKNOGRCIRTENO-WMLDXEAASA-N 430.457 4.091 5 20 IIBD Cc1cnc(COC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)c(C)c1[N+](=O)[O-] 789447913 UUVBCIOGFBVHQT-ZDUSSCGKSA-N 438.267 4.010 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1cccc(C(=O)Nc2ccccn2)c1 790895462 UKRMNYAPDQVREH-UHFFFAOYSA-N 428.807 4.216 5 20 IIBD COc1cc(-c2noc(COc3cc(F)c([N+](=O)[O-])cc3Cl)n2)cc(OC)c1OC 795248227 ZVPKFNOZSMFQQL-UHFFFAOYSA-N 439.783 4.042 5 20 IIBD O=C(c1cc(S(=O)(=O)C2CCCC2)ccc1F)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 797470554 IJSZTQKMILETFU-UHFFFAOYSA-N 446.500 4.255 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2SC(F)F)cc1OC 798112496 FEPCNKBGYIFDSN-UHFFFAOYSA-N 428.413 4.196 5 20 IIBD CN(C[C@H]1CCCN1C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])C(=O)OC(C)(C)C 798295718 WGGCKBIYVPBKAE-QGZVFWFLSA-N 440.500 4.128 5 20 IIBD C[C@H](NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)no1 801027440 PUAPXMIWKIAMJR-ZDUSSCGKSA-N 429.864 4.243 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@H]1CCSc2ccc(Br)cc21 801877034 WHAXTZZIRHGZJK-AWEZNQCLSA-N 440.294 4.388 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3COc4ccccc4[C@@H]3O)o2)c(Br)c1 808452604 MJIFUVBHZXWTCQ-XLIONFOSSA-N 445.269 4.202 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc([C@H]3C[C@@H](C)CCN3C(=O)OC(C)(C)C)n2)c1 809476261 KIIKNRUMNOEAFC-SUMWQHHRSA-N 432.477 4.285 5 20 IIBD CN(Cc1csc2ccccc12)C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810349452 RWFJDEANQNLHJX-UHFFFAOYSA-N 448.298 4.169 5 20 IIBD Cc1nc(-c2cnn(C)c2)sc1C(=O)OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811083630 OBKFZMLDYMKFJN-UHFFFAOYSA-N 427.269 4.424 5 20 IIBD COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811375245 WVKOIOWJRBHGOD-GHMZBOCLSA-N 441.267 4.333 5 20 IIBD C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 813878142 KUIMVYYIAITUKQ-AEFFLSMTSA-N 446.548 4.224 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C(=O)Nc1cc(Cl)ccc1Cl 814484174 DLJRERZZXGDLNK-SECBINFHSA-N 444.246 4.291 5 20 IIBD CSc1ccc(C(=O)O[C@@H](C(=O)N[C@@H]2CCOc3ccccc32)C(C)C)cc1[N+](=O)[O-] 876684380 DEOCJKAFEAGASN-OXQOHEQNSA-N 444.509 4.138 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1(NC(=O)NCc2ccccc2)CCCC1 876999503 DGQCDDOVZSDYNP-UHFFFAOYSA-N 444.919 4.019 5 20 IIBD Cc1ccc(-n2ncc(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)c2C(C)C)cc1 914978206 LMHOZMLMVPVATC-UHFFFAOYSA-N 437.452 4.436 5 20 IIBD Cc1c(OC(=O)/C(=C\c2cccs2)n2nnnc2-c2ccccc2)cccc1[N+](=O)[O-] 917049507 BFMULYYPWCGJJO-QGOAFFKASA-N 433.449 4.222 5 20 IIBD Cc1ccc(C)c(NC(=O)[C@H](OC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c2ccccc2)c1 919506175 OWCHIIAOLCBJLV-OAQYLSRUSA-N 437.427 4.470 5 20 IIBD COc1ccc(OC(=O)[C@H]2CCCCN2C(=O)/C=C\c2ccc(Cl)cc2)c([N+](=O)[O-])c1 919678553 BCKMJLXZOJWENW-RYKGSNAESA-N 444.871 4.257 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])c(F)c1)c1nn(-c2ccccc2F)cc1Br 1256060055 UPZKDSIJNGWHPK-UHFFFAOYSA-N 438.184 4.178 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC(=O)c1ccc(Br)s1 1320061802 NCULUBZTBPKHJJ-QMMMGPOBSA-N 448.678 4.266 5 20 IIBD CSCC(=O)Nc1ccc(OC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 1343991009 NWZXZVRAXFAWDV-UHFFFAOYSA-N 443.525 4.352 5 20 IIBD COc1ccc(NC(=O)N2CCC([C@H]3CCCN3C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1 1346532631 KVZBQLPKGYNXED-GOSISDBHSA-N 448.520 4.247 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@@H]3C[C@]3(F)Cl)CCC2)cc1)c1cccc(F)c1[N+](=O)[O-] 1790699262 YHTZTGIIJULPNM-YCRPNKLZSA-N 449.841 4.406 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3nc[nH]c3[N+](=O)[O-])CCC2)cc1)c1ccc2ccoc2c1 1790892081 NVDOSMIZTPNOII-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD O=C(Cc1ccc(Cl)cc1[N+](=O)[O-])NC1(c2ccc(NC(=O)[C@H]3C[C@@H]3F)cc2)CCC1 1791161296 FBTXRFZMEGOOIF-ROUUACIJSA-N 445.878 4.283 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@@H]1C1CC1)c1cc2cc([N+](=O)[O-])ccc2s1 1792963521 DWXPRZNMCCVTOE-LMCLKVLCSA-N 439.537 4.107 5 20 IIBD Cc1ccc(/C=C/C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc([N+](=O)[O-])cc2F)s1 1800352312 FXCRJSGAZAHSFS-SSCFBFAFSA-N 443.500 4.069 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]1c1ccccc1 1804345136 WSJFAQNSVWYNAW-VNPOFPLBSA-N 445.519 4.050 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCC2(CCCN(C(=O)[C@@H]3CC=CCC3)C2)CC1 1805401589 HOEKHEKAMXVYJW-GOSISDBHSA-N 443.519 4.243 5 20 IIBD CC(C)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)n[nH]1 1814969279 DOPZGBZGBCOAEY-UGAXZCSASA-N 429.477 4.053 5 20 IIBD O=C(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1cccc(Cl)c1Cl 10734107 BNUATFDEITXCQT-UHFFFAOYSA-N 438.267 4.297 5 20 IIBD C[C@H]1CCCCN1C(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 11029198 LWCAEBIHGKXRSJ-AWEZNQCLSA-N 444.871 4.037 5 20 IIBD CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1 15390294 NVLYCXXSOJUREC-UHFFFAOYSA-N 441.465 4.047 5 20 IIBD O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NCCNc1ccccc1[N+](=O)[O-] 16235665 GCVHZUNLFDHYBL-UHFFFAOYSA-N 446.916 4.055 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC(c2nc3ccccc3s2)CC1 18941759 ROEVZMBANXOBRQ-CQSZACIVSA-N 440.525 4.420 5 20 IIBD CN(C(=O)COC(=O)Cc1ccccc1[N+](=O)[O-])[C@@H](c1ccccc1)c1ccc(F)cc1 22940785 RXMBQDCPEAMCSP-DEOSSOPVSA-N 436.439 4.068 5 20 IIBD CCOc1ccccc1Nc1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2F)s1 28389534 QDEOMYHBMWHDLV-UHFFFAOYSA-N 449.489 4.459 5 20 IIBD C[C@@H](C(=O)Nc1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1)n1cccn1 31612248 BWWFOOFBCOLWAO-ZDUSSCGKSA-N 435.465 4.458 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC[C@@H](c2nc3ccccc3s2)C1 32484060 BJTSTSHYQMNAPY-MRXNPFEDSA-N 433.493 4.410 5 20 IIBD O=C(c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)N1CCc2cc([N+](=O)[O-])ccc21 58550476 RAIKKXMTEYZNSS-UHFFFAOYSA-N 435.440 4.246 5 20 IIBD CCO[C@H]1CCCN(c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])C1 60082106 MYPPKGUWJGKVDV-KRWDZBQOSA-N 433.530 4.018 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(OCc2ccccc2F)cc1 64478338 IJUGSQLMKBRJQJ-UHFFFAOYSA-N 432.429 4.122 5 20 IIBD CCc1cc(NCc2ccc(CN3CCCC3=O)cc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 64915022 YQDBNPUYRAFLTC-UHFFFAOYSA-N 431.496 4.349 5 20 IIBD C[C@@H]1C[C@@H](C)CN(Cc2ccccc2CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 301865485 FWIUBIJRSHYHCX-IAGOWNOFSA-N 431.558 4.088 5 20 IIBD COc1cc(C(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OC(F)F 409565056 HJUDAUDARGHZLZ-AUUYWEPGSA-N 436.411 4.103 5 20 IIBD CC(C)(C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1)c1ccccc1[N+](=O)[O-] 429813667 JTRLMLLCYJHASK-HNNXBMFYSA-N 446.345 4.278 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnccc2-c2ccccc2)c(Br)c1 432361577 YXNDKAWLLOCQNW-UHFFFAOYSA-N 434.271 4.220 5 20 IIBD CC(C)CS(=O)(=O)CCC(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435441530 CKGCKKGNVRSULV-UHFFFAOYSA-N 428.557 4.207 5 20 IIBD O=C(NCC1(c2ccccc2)CCOCC1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 436115461 OWVJYTJKBACUEM-UHFFFAOYSA-N 430.479 4.299 5 20 IIBD C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2cccc(F)c2)no1 437134402 DQXXHGUQQSCGJX-WDEREUQCSA-N 434.811 4.082 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 439770018 WNBHDBVYNQOCMZ-JOCHJYFZSA-N 433.464 4.146 5 20 IIBD COC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C[C@@H](C)O1 439953473 WYRVTSJCHWXKMI-CJNGLKHVSA-N 436.917 4.275 5 20 IIBD CN(C(=O)c1ccc(Cl)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1)c1ccccc1 442352204 PWAUODAHZYQZLJ-UHFFFAOYSA-N 445.884 4.326 5 20 IIBD O=C(c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2)N1CC[C@H](O)C1 443214878 WINSFIFJDQOFGH-FCUDFIOSSA-N 429.476 4.227 5 20 IIBD O=C(Nc1ccc(OC2COC2)cc1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 444315960 JAGMFUQCKFYVKW-UHFFFAOYSA-N 449.250 4.117 5 20 IIBD O=[N+]([O-])c1ccccc1-c1ccc(CNCc2ccc(N3CCCS3(=O)=O)cc2)s1 461406913 MOFKIWMMNRWUSN-UHFFFAOYSA-N 443.550 4.153 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2cc([C@@H]3C[C@H]4CC[C@H]3C4)[nH]n2)cc1[N+](=O)[O-])c1ccccn1 461472934 YEPAFDZFECJOOP-MUQADHOPSA-N 446.511 5.042 5 20 IIBD Cc1cc(=NC(=O)c2c(C)nn(C)c2Sc2ccccc2)c2cc([N+](=O)[O-])ccc2[nH]1 464170460 RYVFIFWOTKXARS-UHFFFAOYSA-N 433.493 4.319 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCO[C@H]2c2ccc(C)cc2)cc1OC 464889560 DEYLXFBYSWDYEY-VGSWGCGISA-N 428.485 4.208 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ccc(F)cc1-c1ccc(F)cc1 465117270 BNOXDLWXZCFSMA-UHFFFAOYSA-N 426.375 4.492 5 20 IIBD CC[C@H]1Oc2cc([C@H](C)NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)ccc2NC1=O 465355133 DRXYXPCHDLWOFS-MEDUHNTESA-N 425.466 4.410 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccccc3O[C@H]3CCOC3)cc2[N+](=O)[O-])C1 470767353 UTEYZPXIBYICLM-SCTDSRPQSA-N 439.512 4.497 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 470944333 JMUNGVVRIUORQV-OAHLLOKOSA-N 434.452 4.132 5 20 IIBD CCOc1cc(N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(F)(F)F)CC2)ccc1[N+](=O)[O-] 477348991 HFZPOXBOJVEVHY-HZPDHXFCSA-N 429.439 4.011 5 20 IIBD C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C[C@@]2(CCOC2)O1 478400660 QWJQMDMHOXLSIC-LHSJRXKWSA-N 448.928 4.419 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H]3CCCc4c[nH]nc43)c([N+](=O)[O-])c2)c(C)c1 481808592 FYRZAGSWMSCUJG-LJQANCHMSA-N 441.513 4.225 5 20 IIBD O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 481897322 UDDPUCBCYSZVIU-REWPJTCUSA-N 434.540 4.296 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2cc(Br)ccc2F)cc1SC 482433702 GNKXAGHRJYPCKF-UHFFFAOYSA-N 443.294 4.499 5 20 IIBD CCSc1cccc(Br)c1NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C 484877948 HDGKCSUSYBDYRM-UHFFFAOYSA-N 427.324 4.311 5 20 IIBD O=C(N[C@@H]1CCC[C@@H]1OCc1ccccc1)c1sc(Br)cc1[N+](=O)[O-] 486356134 IGTIOCBWXHXPRL-OCCSQVGLSA-N 425.304 4.287 5 20 IIBD O=C(N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 489056815 WKPXKXUBVUVJNP-HNNXBMFYSA-N 449.792 4.234 5 20 IIBD O=C(Nc1cccc2c1CN(c1ccccn1)C2)c1cc([N+](=O)[O-])ccc1OC(F)F 489200897 UXQORRGTMZAVPU-UHFFFAOYSA-N 426.379 4.364 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C 490037793 GKKVSHCEWKESQR-PXAZEXFGSA-N 444.431 4.073 5 20 IIBD COc1c(F)cc(S(=O)(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)cc1[N+](=O)[O-] 490419577 XPFMBTIMESRGJV-SFHVURJKSA-N 433.461 4.140 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccnc1OCC(F)F 490822771 DMHMIPHBQNVKHY-UHFFFAOYSA-N 425.457 4.312 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)Nc2cccc(CS(=O)(=O)NC(C)(C)C)c2)cc1[N+](=O)[O-] 493078710 KYKALFMTMIILIN-OAHLLOKOSA-N 448.545 4.004 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(Br)cc(OC)c2)cc1OC 498343347 JAKDAWYZTOAWDH-UHFFFAOYSA-N 425.235 4.026 5 20 IIBD O=C(Nc1ccc(F)cc1)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 498391712 WRLMPBQBAYOREM-UHFFFAOYSA-N 444.422 4.464 5 20 IIBD CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 498426443 URTAZUBCHPMZHK-NRFANRHFSA-N 438.528 4.055 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@@H]1CCCCN1C(=O)c1cccs1 499513966 XPMVSMSJARTIPD-AWEZNQCLSA-N 427.404 4.309 5 20 IIBD COc1ccc2c(C)cc3nnc(SCC(=O)Nc4c(C)cccc4[N+](=O)[O-])n3c2c1 500912913 ZFHVXCKADSSQBX-UHFFFAOYSA-N 437.481 4.147 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 501922856 ZXXYXUUSMBIBJG-UHFFFAOYSA-N 439.468 4.395 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 502254420 JOBAXQKZWCIFPZ-UHFFFAOYSA-N 443.385 4.070 5 20 IIBD Cc1cnc(O)n1-c1ccc([C@H](C)Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)cc1 502302767 KYIQVYDBKODFAQ-INIZCTEOSA-N 435.484 4.204 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc(Nc2ccccc2)nc1 502970549 RGVXSJDKFOULML-UHFFFAOYSA-N 433.424 4.060 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@@H](C)[C@H]2CCCOC2)c([N+](=O)[O-])c1 503297781 ZXIGUGYCNIUNIG-IRXDYDNUSA-N 433.530 4.037 5 20 IIBD CCCN(C(=O)c1ccc(SC)c([N+](=O)[O-])c1)C1CCN(C(=O)c2ccccc2)CC1 505313419 GCVAOBQCQWXDQC-UHFFFAOYSA-N 441.553 4.474 5 20 IIBD CC(C)(CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1cccc(Br)c1 507034763 HYMQFKBGPWATMB-UHFFFAOYSA-N 443.301 4.251 5 20 IIBD NS(=O)(=O)c1cccc(NCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c1 508650394 TZAHCCJHKXJLQE-UHFFFAOYSA-N 433.873 4.300 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N(Cc1cccs1)C1CC1 509019360 XGOQUCGSJWURIC-UHFFFAOYSA-N 428.251 4.066 5 20 IIBD Cc1ccc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1C(=O)NC(C)C 510022813 GYMDBWILRNGVMK-UHFFFAOYSA-N 434.290 4.365 5 20 IIBD Cc1c(Br)cc(C(=O)N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)cc1[N+](=O)[O-] 510498094 XYVHPUWLSCWQGI-GWQKEKGPSA-N 439.331 4.236 5 20 IIBD CCCn1c(SCCn2cc([N+](=O)[O-])ccc2=O)nc2ccc(C(F)(F)F)cc21 513256651 KQCKUKZMYRXVKK-UHFFFAOYSA-N 426.420 4.327 5 20 IIBD COc1ccc(CNC(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)cc1[N+](=O)[O-] 515794923 LAFGFKZYMWQUEC-UHFFFAOYSA-N 434.452 4.202 5 20 IIBD COc1ccc(CNC(=O)NCCSCc2cccc3ccccc23)cc1[N+](=O)[O-] 517577963 CGZRXJZTNBGTJW-UHFFFAOYSA-N 425.510 4.489 5 20 IIBD COc1ccc(-c2ccc(CNc3cccc(-n4cnc(N(C)C)n4)c3)o2)c([N+](=O)[O-])c1 517786111 KDHLBAMKMDICDQ-UHFFFAOYSA-N 434.456 4.122 5 20 IIBD C[C@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(Cc2ccc(Cl)cc2[N+](=O)[O-])C1=O 522502003 VIQGTENTTHFNII-QGZVFWFLSA-N 427.766 4.234 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1cccc(NC(=O)c2cccc(F)c2)c1 522740659 ALDOGWKEXMDLNJ-UHFFFAOYSA-N 441.846 4.499 5 20 IIBD COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 524114051 ODRIDRGWALRJEB-INIZCTEOSA-N 447.875 4.068 5 20 IIBD CCCC(O)(CCC)CNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 524813573 CJGFGLSFHKBOGF-UHFFFAOYSA-N 445.482 4.278 5 20 IIBD CCOc1cc(NC(=O)c2ccc(C(=O)NCC(C)(C)C)cc2)c([N+](=O)[O-])cc1OCC 525013901 PDOYJBIKRAZLHW-UHFFFAOYSA-N 443.500 4.420 5 20 IIBD CCOc1cc(CN[C@@H]2CCSC2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 527239276 KBZNERHLXGZGCV-GOSISDBHSA-N 446.525 4.034 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCCC[C@@H]1c1nc2ccccc2n1C 530893820 CRVIJVNJKCNKQD-LJQANCHMSA-N 428.514 4.014 5 20 IIBD CCc1ccc([C@H](c2cccnc2)N(CC)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 530951465 JOJRAXRNMFYJSD-JOCHJYFZSA-N 425.510 4.352 5 20 IIBD O=[N+]([O-])c1cccc(-c2ccc(CNC[C@H](O)COc3ccccc3Br)o2)c1 532209918 NVOMMCAJDOKWTH-INIZCTEOSA-N 447.285 4.147 5 20 IIBD O=C(C[C@H]1CCCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(F)cc1 532991268 TWVQYIYVYIXWQG-HXUWFJFHSA-N 439.487 4.214 5 20 IIBD COc1cc(CN(C)C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)ccc1OC(F)F 533465724 NLAUDUHJPQAPPK-UHFFFAOYSA-N 434.317 4.496 5 20 IIBD CN(C(=O)[C@H](Cc1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1ccccc1 533788168 XUQQZAUEJPLABZ-QFIPXVFZSA-N 444.491 4.166 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)c(Br)c1 534208163 IEEMJGLROIXCHV-UHFFFAOYSA-N 426.075 4.465 5 20 IIBD CCN(C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1)CC(F)(F)F 537171058 MYVRMUHIKFLKRB-CQSZACIVSA-N 433.496 4.442 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnn(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)c2)c1 537567507 RFZUNVHNAUSKFQ-UHFFFAOYSA-N 431.779 4.368 5 20 IIBD O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 537760580 OUVCBEFLMUAVKI-IBGZPJMESA-N 430.464 4.153 5 20 IIBD C[C@@H](CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Oc1ccc(Br)cc1 539518302 DHFOLYBCSJOKJE-AWEZNQCLSA-N 445.317 4.315 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccn(-c2ccc(Cl)cc2Cl)n1 540041839 ZYCAIGXWXIHHPX-UHFFFAOYSA-N 436.255 4.147 5 20 IIBD CCOC(=O)C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1C)c1cccc(Br)c1 542264181 TVBZVCGKVIDDAO-KRWDZBQOSA-N 449.301 4.019 5 20 IIBD Cc1cc(CN2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)CC2)on1 544467276 XCVURXXSNYDQNY-UHFFFAOYSA-N 444.557 4.132 5 20 IIBD Cc1cc(-c2csc(NS(=O)(=O)Cc3ccccc3[N+](=O)[O-])n2)c(F)cc1F 546086170 WCKHAWSGLDWZIJ-UHFFFAOYSA-N 425.438 4.247 5 20 IIBD O=[N+]([O-])c1ccc(C(F)(F)c2nc(Cc3ccc(Oc4ncccn4)cc3)no2)cc1 546387731 GIWHJGFSEQGHIV-UHFFFAOYSA-N 425.351 4.291 5 20 IIBD CCc1c(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)nnn1Cc1ccc(F)cc1 549024066 BIVDVOMLNBQDDO-UHFFFAOYSA-N 438.463 4.133 5 20 IIBD CCCCOc1cccc(NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c1 551498877 KRAGPPKBQWILQB-UHFFFAOYSA-N 436.262 4.113 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(OCCCO)cc3)cc2[N+](=O)[O-])C1 553627807 SIQBZXKNLOOREN-CALCHBBNSA-N 427.501 4.091 5 20 IIBD CCOc1cc(N2CCN(C(=O)[C@H](C)Cc3cncc4ccccc34)CC2)ccc1[N+](=O)[O-] 554004632 QIIPECONTHJWHA-GOSISDBHSA-N 448.523 4.069 5 20 IIBD COc1ccccc1-c1noc(C2CCN(C(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 555323274 HENHHEUMYJGREV-OAHLLOKOSA-N 436.468 4.163 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl 557079186 IJTYBPTXCQQIQY-UHFFFAOYSA-N 432.908 4.483 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1Cc2cnn(-c3ccccc3)c2C1 561737879 SZRLFUXHZHXPGX-UHFFFAOYSA-N 445.401 4.144 5 20 IIBD Cc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)nc(C)n1 567496704 NOQTVBMZOBXKMX-UHFFFAOYSA-N 425.876 4.197 5 20 IIBD C[C@H](CN[C@@H](c1ccc([N+](=O)[O-])cc1)c1nccn1C)Oc1ccccc1Br 572980782 OEEXFUDFRNOJSE-KUHUBIRLSA-N 445.317 4.237 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cn2cc(Br)cc(C)c2n1 580135932 ZIQZVYJACZEOTQ-UHFFFAOYSA-N 432.278 4.198 5 20 IIBD COC(=O)c1cc(C(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)cc([N+](=O)[O-])c1 585714466 GEXBNRHZLYBCDV-UHFFFAOYSA-N 434.452 4.477 5 20 IIBD CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] 589495101 ZCKMFNXYADQCIB-UHFFFAOYSA-N 440.283 4.149 5 20 IIBD CCCOc1cc(NC(=O)N[C@H]2CC[C@@](O)(C(F)(F)F)C2)c([N+](=O)[O-])cc1OCCC 590104386 QSFLWUZVCPYRCX-SGTLLEGYSA-N 449.426 4.140 5 20 IIBD COc1cc(NC(=O)c2ccccc2[N+](=O)[O-])c(C(=O)N2[C@@H](C)CCC[C@H]2C)cc1OC 603596951 TVJMTUMFOAQHQY-GASCZTMLSA-N 441.484 4.267 5 20 IIBD O=C(NCCSCc1ccccc1F)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 603682400 OBRMLSHJUYFZRR-UHFFFAOYSA-N 432.395 4.338 5 20 IIBD CCNc1ccc(C(=O)Nc2ccc(CC(=O)N(C)c3ccccc3)cc2)cc1[N+](=O)[O-] 603995289 YCXHDKNTWUINRJ-UHFFFAOYSA-N 432.480 4.484 5 20 IIBD O=C(CNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1 608836733 AFKQKVPQZCAQNN-UHFFFAOYSA-N 445.454 4.315 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 608928161 XBIWZEKPOYUHHT-UHFFFAOYSA-N 441.296 4.256 5 20 IIBD Cc1ccc(N[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cc1C(N)=O 608980442 BKXMWWOYPILFMM-HXUWFJFHSA-N 438.871 4.447 5 20 IIBD O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CC=C(c2cccc3ccccc23)CC1 609442547 AHPPJWONAQKPFO-UHFFFAOYSA-N 425.448 4.258 5 20 IIBD O=C(c1ccc(I)cc1Cl)N1CCCc2ccc([N+](=O)[O-])cc21 609859332 AFIOKFXUVUCHGP-UHFFFAOYSA-N 442.640 4.446 5 20 IIBD Cc1ccc(SCC(F)(F)F)c(NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)c1 609912021 DCLQVXOOSMIGEP-LBPRGKRZSA-N 441.431 4.315 5 20 IIBD O=C(c1ccc(Cl)cc1)c1ccc(OCC(=O)N2CCc3c2cccc3[N+](=O)[O-])cc1 609972287 AQQODUJOROFYAA-UHFFFAOYSA-N 436.851 4.447 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2[C@@H](C)[C@H](c3ccccc3)C[C@H]2C)cc1OC 610186638 HIIUWSMZACJJRH-SOLBZPMBSA-N 428.485 4.035 5 20 IIBD O=C(CSc1ccc2c3c(cccc13)CC2)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 610340030 OPIXDDSBEBJVIB-KRWDZBQOSA-N 434.521 4.047 5 20 IIBD O=C(NC1(C(F)(F)F)CC1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 610705740 RMAMCARQUJJTSU-UHFFFAOYSA-N 425.329 4.041 5 20 IIBD C[C@H](Nc1ccc(C(=O)N(C)[C@H]2CCCc3c2cnn3C)cc1[N+](=O)[O-])c1ccccn1 610977184 XETWCBKVAYXWMN-YWZLYKJASA-N 434.500 4.046 5 20 IIBD O=C(NCCOc1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611200753 IIIWBIUPEQEVQC-UHFFFAOYSA-N 430.482 4.167 5 20 IIBD CCOc1ccccc1NC(=O)COc1c([N+](=O)[O-])cnc2ccc(Br)cc12 612660636 GBAFRBWVVZAQTA-UHFFFAOYSA-N 446.257 4.322 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCN(CC(F)(F)F)CC1 619730046 WQWYVMLUJDPKMF-UHFFFAOYSA-N 443.809 4.361 5 20 IIBD CC(C)[C@H](OC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C(=O)N1CCSc2ccccc21 725935292 NCAMZYZWWTYPTK-SFHVURJKSA-N 436.436 4.193 5 20 IIBD CC(C)[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)N(C)C1CCCCC1 725986376 VCSZZWWKOHVNMX-QGZVFWFLSA-N 441.322 4.330 5 20 IIBD O=C(COC(=O)[C@@H](OC1CCCC1)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl 727017284 LHSPJHIQVUTBBD-FQEVSTJZSA-N 432.860 4.430 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cn1 727408509 YRMOFKXWXDSZJO-UHFFFAOYSA-N 427.461 4.189 5 20 IIBD CCC(=O)c1ccc(OCCCCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 727662283 RDRRWQNUCGSBIJ-UHFFFAOYSA-N 439.512 4.085 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)O[C@H](C)C(=O)Nc2ccc(F)cc2F)CC1 729470864 JKFBGDMPKIYLQR-CQSZACIVSA-N 447.438 4.293 5 20 IIBD O=C(COC(=O)CCc1nc2cc(Cl)ccc2s1)Nc1cc([N+](=O)[O-])ccc1F 730608299 HXPGSEDWOGLWNK-UHFFFAOYSA-N 437.836 4.112 5 20 IIBD COCc1c(C(=O)O[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)sc2cccc(F)c12 731507231 BJWCDCZMOVCDKI-MRXNPFEDSA-N 444.440 4.057 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])c(F)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 731518372 KFFXJYLTAJTOCH-OAHLLOKOSA-N 438.411 4.497 5 20 IIBD CC(C)(C)OC(=O)NCc1cccc(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)c1 732292336 LSDPSQZZNWSDQE-UHFFFAOYSA-N 438.440 4.126 5 20 IIBD Cc1oc(-c2cccs2)nc1COC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 733558855 OCQXYIPDXDEKPX-ZDUSSCGKSA-N 447.494 4.029 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)CN(C)c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 733590489 DEDDWNGDOCNIFK-QHCPKHFHSA-N 433.464 4.263 5 20 IIBD C[C@H](Sc1ccc(Cl)cc1)C(=O)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 735337852 CZDDUDPTHXXYPJ-LBPRGKRZSA-N 436.873 4.270 5 20 IIBD COc1cccc(Nc2ccccc2C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 736542767 ADUXHNKNRHDDKU-UHFFFAOYSA-N 432.480 4.309 5 20 IIBD CC(C)(C(=O)OCC(=O)N[C@H](c1ccccc1)c1cccs1)c1ccc([N+](=O)[O-])cc1 740392635 YHSAPRISZSATCL-OAQYLSRUSA-N 438.505 4.383 5 20 IIBD Cc1c(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 741928536 KWBKJJUEHNLAOY-UHFFFAOYSA-N 446.891 4.203 5 20 IIBD C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 742615932 ZBMGWMKTTCOGFR-CHWSQXEVSA-N 445.438 4.379 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3cc(C)ccc3[N+](=O)[O-])CC2)ccc1[N+](=O)[O-] 744201655 QDMOARYAPWKLGY-UHFFFAOYSA-N 429.429 4.036 5 20 IIBD C[C@H](OC(=O)CCOc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1ccc2ccccc2c1 744731557 OXFDXULFZWNSIJ-SJORKVTESA-N 436.464 4.326 5 20 IIBD COc1cccc(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1OC(F)F 746123788 SXJULPXJGNCCBB-SNVBAGLBSA-N 435.339 4.173 5 20 IIBD CCCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 746180986 GPWZLPASYZTLKD-UHFFFAOYSA-N 431.283 4.097 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCN(Cc2cccc3cccnc23)CC1 746795269 ININDSZTWSFNLS-UHFFFAOYSA-N 444.413 4.120 5 20 IIBD Cc1c(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748606649 JEMBFIYZQNUWSW-SFHVURJKSA-N 446.529 4.384 5 20 IIBD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(F)cc1F 748929647 HBZJAIXBSYZBPO-LLVKDONJSA-N 447.419 4.489 5 20 IIBD C[C@H](OC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1cc(Cl)ccc1OC(F)F 749089925 SCLLDGNFLKBXLH-JTQLQIEISA-N 438.774 4.348 5 20 IIBD Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)OC(=O)c1ccc(Br)cc1[N+](=O)[O-] 750961934 AMSSVCNTIWYQLQ-OLZOCXBDSA-N 435.274 4.088 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1cc(Br)c(F)cc1Cl 751352162 SOZKXPCIFPPGOL-UHFFFAOYSA-N 427.617 4.138 5 20 IIBD COc1ccc2c(COC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])cc(=O)oc2c1 751642928 HAEANZLPNCZAKG-UHFFFAOYSA-N 435.841 4.199 5 20 IIBD C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 751946620 LEWPHPTVQMUDDI-QWRGUYRKSA-N 448.398 4.261 5 20 IIBD COc1ccc(NC(=O)COC(=O)Cc2cc3c(ccc4ccccc43)o2)c([N+](=O)[O-])c1 753444913 VYNPUCGONYWYBL-UHFFFAOYSA-N 434.404 4.227 5 20 IIBD COc1cc(OC)c2cc(CCCNc3ccc([N+](=O)[O-])cc3N3CCOC3=O)[nH]c2c1 754026183 XJJOKUJGMGTFDR-UHFFFAOYSA-N 440.456 4.095 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@H](OC(C)(C)C)c1ccccc1 754313128 PPZHBHKXQYSVTN-IFXJQAMLSA-N 430.457 4.030 5 20 IIBD CCn1c([C@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)nc2ccccc21 754969026 UUKMGKUVQMNQRD-JTQLQIEISA-N 435.253 4.357 5 20 IIBD C[C@H](OC(=O)Cc1ccc(F)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 756631219 UTTMQOPBZGHUPQ-VIFPVBQESA-N 432.301 4.005 5 20 IIBD Cc1coc(-c2cccc(NC(=O)c3ccc(I)c([N+](=O)[O-])c3)c2)n1 759099242 LEWKFQXMVBORPU-UHFFFAOYSA-N 449.204 4.415 5 20 IIBD C[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1nc(-c2ccc(Br)cc2)no1 760831503 ZIYFFWUTFIHYQT-VIFPVBQESA-N 435.209 4.037 5 20 IIBD O=C(Nc1ccc(OCCN2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1Br 760859734 SFBBENRBKPOPEQ-UHFFFAOYSA-N 448.317 4.474 5 20 IIBD CN1CC[C@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 762724851 DAECMXZSUXNWGC-SJKOYZFVSA-N 426.275 4.464 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 765487757 GPAOLJUZKCIADO-LJQANCHMSA-N 433.549 4.269 5 20 IIBD Cc1cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c(C)n1Cc1ccco1 766226765 PQFCCLKULDVBFE-UHFFFAOYSA-N 433.420 4.242 5 20 IIBD O=C(Cc1cc(F)ccc1Br)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 771360762 IUDKIKKDYQXEDG-UHFFFAOYSA-N 435.205 4.437 5 20 IIBD CCC[C@H](NC(=O)COC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccccc1 773603111 MAJRLSIWASJFTE-LBPRGKRZSA-N 441.303 4.233 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CCN1C(=O)OC(C)(C)C 773771996 HVHPZFAABXFTTA-SJORKVTESA-N 446.548 4.103 5 20 IIBD COCc1nc(C(=O)O[C@@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])cs1 774373607 ODXMNSRJXGOGMM-AWEZNQCLSA-N 429.292 4.005 5 20 IIBD COC(=O)Nc1ccc(CCNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])cc1 774667048 MFFHHRAQSWTYDK-UHFFFAOYSA-N 434.321 4.477 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])c1 775546143 AYLRZKDXBWSIQE-NWDGAFQWSA-N 427.379 4.180 5 20 IIBD O=C(CN1CCO[C@@H](c2ccc(F)cc2Cl)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] 775731924 ZQCFWJLGOGHLTN-QGZVFWFLSA-N 428.247 4.053 5 20 IIBD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nn1C1CCCCC1 776435366 ZCEXGBPDGHWUNB-CYBMUJFWSA-N 434.880 4.442 5 20 IIBD CSc1cccc(C(=O)Oc2ccc(-c3noc([C@@H]4CCCO4)n3)cc2)c1[N+](=O)[O-] 776828378 ITTLCEVKJGOZIV-HNNXBMFYSA-N 427.438 4.437 5 20 IIBD COc1cc(COC(=O)c2cccc(SC)c2[N+](=O)[O-])c([N+](=O)[O-])cc1OC(F)F 777075612 XCZGIGVARGDUJT-UHFFFAOYSA-N 444.368 4.192 5 20 IIBD O=C(c1cc([N+](=O)[O-])c2nsnc2c1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 778253307 GMSCHYMOQKEDTM-HNNXBMFYSA-N 439.280 4.120 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cc(F)cc([N+](=O)[O-])c1Br 778459679 ABDXEIDSZJZMSY-UHFFFAOYSA-N 446.616 4.031 5 20 IIBD Cc1nc(-c2cccs2)c(CC(=O)O[C@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)s1 778789231 XEMIYWKOAHDLKQ-INIZCTEOSA-N 429.523 4.453 5 20 IIBD CC(=O)N(c1nc(COC(=O)c2cc(O)cc([N+](=O)[O-])c2)cs1)c1ccc(C)cc1C 780074161 HFWKYIBCDSIJKL-UHFFFAOYSA-N 441.465 4.415 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCc1ccc(Cl)c(C)c1 781478429 NLEIYJJMUYGODZ-SFHVURJKSA-N 436.917 4.152 5 20 IIBD CC(C)c1noc(-c2ccc(NC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)n1 781640107 AZYFALVSLRQBQS-UHFFFAOYSA-N 425.401 4.248 5 20 IIBD O=C(NCC1CCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1)OCc1ccccc1 782955453 JDVYWARKBBMKPF-UHFFFAOYSA-N 449.511 4.054 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])c(F)c1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 785414708 XYJHIHISBUIAMQ-UHFFFAOYSA-N 448.403 4.031 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Oc1ccc(Oc2ccc(Br)cn2)cc1 786672329 MMKXKUPCLKOFQA-UHFFFAOYSA-N 447.245 4.045 5 20 IIBD CC(C)Oc1nn(CN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c(=S)s1 789485700 ZYNPQEXXORHZSW-UHFFFAOYSA-N 445.364 4.148 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)c1nnnn1C1CC1 791928917 KMXCAAXFJKTQSD-NSHDSACASA-N 444.904 4.212 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N2CCC(OC3CCCCC3)CC2)cc1[N+](=O)[O-] 792973168 HRZBGEGALBEFRK-UHFFFAOYSA-N 431.533 4.171 5 20 IIBD C[C@H](OC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C(=O)Nc1c(F)c(F)c(F)c(F)c1F 796440624 FEKAXOWCUXRZHT-QMMMGPOBSA-N 446.328 4.138 5 20 IIBD Cc1c(NC(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)cccc1[N+](=O)[O-] 797607898 SSKMKTNVLLOGKM-GOSISDBHSA-N 426.473 4.074 5 20 IIBD O=C(Nc1ccc(F)cc1OCCC(F)(F)F)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 800356249 QKYUOSPIEXXVSC-QGZVFWFLSA-N 441.337 4.197 5 20 IIBD COC(=O)[C@@H](OC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccccc1C(F)(F)F 800468378 AIHALXQJYAAZFU-QFYYESIMSA-N 429.322 4.314 5 20 IIBD CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N 801909083 DXJNCRZNZZEXND-UHFFFAOYSA-N 433.827 4.072 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)OCc2nc3cc(Br)ccc3o2)cc1[N+](=O)[O-] 803284965 JNENILKQJGXYSD-UHFFFAOYSA-N 436.174 4.072 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NCc1cc(F)c(F)cc1Br 805195862 DXOYTIUVQPGHLN-UHFFFAOYSA-N 434.624 4.288 5 20 IIBD Cc1c(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cnc(Cl)c1Br 806419449 PNLREGGMEHJULQ-UHFFFAOYSA-N 427.686 4.421 5 20 IIBD O=C(Nc1ccccc1[C@H](O)c1ccccn1)c1cc(F)cc([N+](=O)[O-])c1Br 807979512 HUZLKLUESSIJMT-SFHVURJKSA-N 446.232 4.225 5 20 IIBD O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 808914195 DJDPNRMRYRBYEY-JFIYKMOQSA-N 431.286 4.002 5 20 IIBD CC(C)(C)Sc1ccc(NC(=O)C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 808968711 VVXYUYLTBWTKTO-UHFFFAOYSA-N 440.525 4.264 5 20 IIBD Nc1cc(CCCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])nn1-c1ccccc1 812966237 NXBMKMBKYSKDIP-UHFFFAOYSA-N 434.283 4.032 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 813291670 YJGOGHSHAMVKKE-ZHZULCJRSA-N 430.424 4.041 5 20 IIBD Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 815036384 KKOLZQFXQFLVJD-UHFFFAOYSA-N 449.307 4.466 5 20 IIBD CCc1cc2c(C)cc(=O)oc2cc1OC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 914717245 FTBXAYYXSFWBAB-UHFFFAOYSA-N 443.477 4.419 5 20 IIBD C[C@@H](OC(=O)Cc1ccc(-n2cccc2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 914976947 XAOZUEWFHWFZAL-CQSZACIVSA-N 427.844 4.152 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1cccc(COCCOc2ccccc2)c1 916496900 XFKNUNOSLWMEMD-UHFFFAOYSA-N 446.463 4.179 5 20 IIBD Cc1cc(C)n(-c2ccc(CCNC(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)cc2)n1 917157302 WEWOSGXOXCVKHO-UHFFFAOYSA-N 447.539 4.360 5 20 IIBD O=C(OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2ccccc2F)o1 920148738 VTFDFKAEIAFCIO-UHFFFAOYSA-N 432.791 4.234 5 20 IIBD CCN(C[C@@H]1CCCO1)C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 920252896 YJTVSGLFTCBIBQ-HNNXBMFYSA-N 431.876 4.142 5 20 IIBD O=C(Oc1cc(Cl)ccc1[N+](=O)[O-])c1nn(Cc2ccccc2)c(=O)c2ccccc12 921136707 OYMXGMQNBYXFMG-UHFFFAOYSA-N 435.823 4.226 5 20 IIBD O=C(/C=C/C1CC1)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])c4c3OCO4)CCC2)cc1 1786158597 LBBVLGWJXGHNKG-NYYWCZLTSA-N 449.463 4.037 5 20 IIBD CC/C=C(\C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2cccc([N+](=O)[O-])c2)CCC1 1800041635 KGDFIDHPQFEWNV-YEUZJSNVSA-N 425.529 4.011 5 20 IIBD O=C(CC1CCCC1)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])[nH]n1 1816690230 RTJILDIDHVZCAM-SFHVURJKSA-N 443.479 4.343 5 20 IIBD C[C@@H]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2F)n[nH]1 1821054556 ODZZHKRCDDBMCY-FRIZHTMISA-N 443.479 4.199 5 20 IIBD C[C@@H]1CCC[C@H]1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(F)c2[N+](=O)[O-])n[nH]1 1821170637 YGWCDRLXPWTYIP-HBUWYVDXSA-N 443.479 4.199 5 20 IIBD CC(C)(C)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])n[nH]1 1823500719 IBLVNSXKENTTTP-TZZQJPOUSA-N 439.516 4.460 5 20 IIBD O=C(c1ccccc1)N1CCC([C@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1824841495 JULFPRYYNOZRKC-XMMPIXPASA-N 449.551 4.461 5 20 IIBD Cc1cccc(CC(=O)N2CCCC23CN(C(=O)c2cc4cc([N+](=O)[O-])ccc4s2)C3)c1 1842713024 LSZFPQFXBWEUQH-UHFFFAOYSA-N 449.532 4.178 5 20 IIBD COc1cc(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c(OC)cc1Cl 10964379 WMUKHAZNKVZEPE-UHFFFAOYSA-N 432.763 4.128 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 12258038 FZHLPNDHFWRHPS-UHFFFAOYSA-N 443.843 4.326 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)OC(C)(C)C)cc1[N+](=O)[O-] 18262594 BCOYWDSJWDJFOX-UHFFFAOYSA-N 431.466 4.046 5 20 IIBD C[C@@H](OC(=O)[C@@H](C)Oc1cccc(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 24979942 YQFQKJHLSJKEAU-GHMZBOCLSA-N 427.240 4.239 5 20 IIBD COc1ccc(OCCSCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 57685505 XNYOERILGHLAPF-UHFFFAOYSA-N 441.303 4.117 5 20 IIBD COC(=O)c1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)cc([N+](=O)[O-])c1 59783700 ZSYBBUOGJUFJMM-UHFFFAOYSA-N 437.383 4.025 5 20 IIBD Cc1c(NC(=O)[C@@H](C)N2CCO[C@@H](c3ccc(Br)cc3)C2)cccc1[N+](=O)[O-] 63580743 XWHQPQILKGEHSS-AUUYWEPGSA-N 448.317 4.066 5 20 IIBD Cn1cc(C(=O)Nc2ccc(CCN3CCCCC3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 65104693 NXFZAMKWIJJXFW-UHFFFAOYSA-N 433.512 4.276 5 20 IIBD Cc1occc1C(=O)Nc1cc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)ccc1F 65444684 KAFKEROTYPORQS-UHFFFAOYSA-N 426.404 4.252 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCC[C@H]1Cc1ccccc1Cl 72021685 UIVDGLALFZIRNO-INIZCTEOSA-N 443.887 4.170 5 20 IIBD C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1cccc([N+](=O)[O-])c1 108453467 PJUUFNHSQDQLLV-CQSZACIVSA-N 443.456 4.026 5 20 IIBD Cc1c(C(=O)Nc2ncccc2OCC2CCCCC2)nnn1-c1cccc([N+](=O)[O-])c1 109899569 OPWWVVZHSRTCQQ-UHFFFAOYSA-N 436.472 4.090 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F 110854154 OHONYBOTDPRTKP-OAHLLOKOSA-N 430.404 4.148 5 20 IIBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1Oc1ccccc1Cl 216597431 NFAVJRZNZJECGO-UHFFFAOYSA-N 425.828 4.409 5 20 IIBD Cc1occc1C(=O)Nc1cc(N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)ccc1F 261407251 QEDXIPTXOFLGML-LJQANCHMSA-N 438.415 4.105 5 20 IIBD COc1ccc(Cl)cc1NC(=O)CN(C)c1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 301129864 XBEVRBBICWTBKB-UHFFFAOYSA-N 441.875 4.097 5 20 IIBD C[C@H]1C[C@H](Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CCN1Cc1ccccc1 301557835 SXJNPADGSZHBSX-FXAWDEMLSA-N 433.512 4.024 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCc3ccccc3[C@H]2Cc2ccccc2)s1 302081416 LMWZDFMQGFOZCF-GOSISDBHSA-N 428.535 4.406 5 20 IIBD CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303432148 GAQFVWRKLYWMOQ-GFCCVEGCSA-N 427.935 4.025 5 20 IIBD Cc1cc(OCC(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)ccc1[N+](=O)[O-] 430781804 FOVIAHXHUWVYDI-HXUWFJFHSA-N 425.872 4.431 5 20 IIBD Cn1cc(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)c(-c2ccc([N+](=O)[O-])cc2)n1 431171549 SRNHCZYUEFCEOZ-MAUKXSAKSA-N 441.285 4.044 5 20 IIBD CCN(C(=O)COc1c(Br)cccc1[N+](=O)[O-])[C@@H](C)c1ccc(F)cc1 431226339 RZNMBMJFSIZZGF-LBPRGKRZSA-N 425.254 4.485 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ncc(-c3ccc(F)cc3)s2)cc1OC 432226573 NLLWWEPEJOYZRJ-UHFFFAOYSA-N 447.444 4.144 5 20 IIBD COc1cc(CSc2nnc3n(C)c4ccccc4n23)c([N+](=O)[O-])cc1OC(F)F 432346364 LJNUNAXTNYJIKH-UHFFFAOYSA-N 435.412 4.032 5 20 IIBD C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CC[S@@](=O)C1 432581777 YSIQFRSKRLYAIW-DBDZUICISA-N 438.958 4.240 5 20 IIBD COc1cccc(C(=O)Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)c1[N+](=O)[O-] 435696308 PJQRBWHSMWKSEN-UHFFFAOYSA-N 445.475 4.378 5 20 IIBD O=C(CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)Nc1cc(Cl)ccc1Cl 435829847 ZHZCVRAZXCTEHR-UHFFFAOYSA-N 440.286 4.357 5 20 IIBD C[C@@H](Nc1cnn(-c2ccccc2F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 435920740 BDAWLEAMSZAPGP-LLVKDONJSA-N 437.353 4.378 5 20 IIBD COC(=O)C1(c2ccccc2)CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 435946478 XZAPUGSKSDTUES-UHFFFAOYSA-N 440.499 4.028 5 20 IIBD CCc1nccn1[C@@H]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 436423839 AYOZDHPLIXMHPL-OAHLLOKOSA-N 436.462 4.196 5 20 IIBD O=C(c1ccc2ccccc2c1O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 436900180 MHHRCKOKRBQKKN-UHFFFAOYSA-N 445.397 4.435 5 20 IIBD COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1cccc([N+](=O)[O-])c1O)CC2 436937391 XTXHSVDWQMWDBW-QFIPXVFZSA-N 434.448 4.106 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](CCO)c1ccccc1Br 439910559 HQHFGBCNWFAJJX-OAHLLOKOSA-N 438.278 4.001 5 20 IIBD Cc1ccc2oc(CN(Cc3ccco3)C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2c1 440968286 VOPXZEDENVRSBU-UHFFFAOYSA-N 433.420 4.410 5 20 IIBD C[C@@H](NC(=O)CCc1ccccc1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 441046307 MZTOCTYSXWNSNS-LJQANCHMSA-N 431.492 4.266 5 20 IIBD CC[C@H](Cc1ccccc1)N(CC)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 441469039 WXCYZNUFOVQXRG-OAHLLOKOSA-N 435.427 4.005 5 20 IIBD CCC(C)(C)NC(=O)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1 445820935 VUWZGNRRUWGOKA-UHFFFAOYSA-N 448.317 4.457 5 20 IIBD C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c2cc(Cl)ccc2O1 446997935 XAEBSDQZMYQROJ-VIFPVBQESA-N 436.795 4.243 5 20 IIBD COCCN([C@@H](C)c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 447020343 HMHUMBXVYWIGFN-ZDUSSCGKSA-N 432.420 4.012 5 20 IIBD C[C@@H]1C[C@H]1[C@@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1 460598888 OAFNHFHZAYXDSC-PJUBBZNESA-N 443.887 4.450 5 20 IIBD CC(C)OCc1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)no1 461367082 ASWSRGUGXFKDDU-AWEZNQCLSA-N 426.429 4.186 5 20 IIBD CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 461451432 SGRPSHBYSNXWBE-IBGZPJMESA-N 428.439 4.263 5 20 IIBD CCC[C@@H]1SCCN1C(=O)c1cc(C(=O)N2CCS[C@@H]2CCC)cc([N+](=O)[O-])c1 461653951 GIDWVOTWLBRVIY-HDICACEKSA-N 437.587 4.225 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc([C@@H]2OCC[C@@H]2C)n1C[C@H]1CCCCO1 461829188 NGQJDAYIYDLEGC-IOMROCGXSA-N 443.548 4.268 5 20 IIBD CC[C@@H](c1ccc(F)cc1F)N1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 462914198 QKRMEEKHWOGOKV-FQEVSTJZSA-N 444.482 4.039 5 20 IIBD COc1ccc([C@@H](Nc2ccc([N+](=O)[O-])c(OC)c2)c2cccc(S(C)(=O)=O)c2)cc1 462945163 MAZAYKDFSCTLSU-JOCHJYFZSA-N 442.493 4.217 5 20 IIBD CCOc1ccc(-n2c(Sc3ncc(C)cc3[N+](=O)[O-])nnc2-c2cccnc2)cc1 463051518 JBIRANWKOWGCJV-UHFFFAOYSA-N 434.481 4.491 5 20 IIBD COc1cc(CSCc2nnnn2-c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])cc1F 464085103 ARDOEJJYWUSKBW-UHFFFAOYSA-N 443.382 4.170 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])NCc1cccc(NC(=O)Nc2ccccc2)c1 465937306 WURHGDXQSMZUGS-UHFFFAOYSA-N 433.468 4.281 5 20 IIBD COc1ccc(Oc2cc(CNC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)ccn2)cc1 467807556 BPLXPHNZFSDDOH-UHFFFAOYSA-N 442.859 4.444 5 20 IIBD O=C(NCc1ncnn1-c1ccccc1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 467921670 TZEOBDDLLZGFHH-UHFFFAOYSA-N 437.525 4.388 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccc(OCC2CC2)c(F)c1 468790125 CCPZCGCWTXTHTL-OAHLLOKOSA-N 443.475 4.168 5 20 IIBD CCc1ccc(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)cc1[N+](=O)[O-] 470875733 JONZXYGVZAOFMT-UHFFFAOYSA-N 447.491 4.485 5 20 IIBD Cc1ccc(NC(=O)C(=O)N(C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 471195257 RJDNHSJQSKOFBG-LBPRGKRZSA-N 440.283 4.074 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N1CCCc2c(F)ccc(F)c21 472536277 CKUYTNMOBZZTKH-UHFFFAOYSA-N 444.175 4.071 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@H](CC(N)=O)C3CCCCC3)cc2[N+](=O)[O-])n1 474895736 IFOCSSZEWSISAB-OAHLLOKOSA-N 448.570 4.065 5 20 IIBD CN1CC[C@@H](CNC(=O)CSc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 476978948 HNOQJIKBXMGTDH-VBKZILBWSA-N 437.924 4.289 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c1C 480993023 PYAHDVHJJLZXSN-QGZVFWFLSA-N 434.905 4.267 5 20 IIBD CN(C)[C@@]1(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCSC1 481208882 YVTLOZZLIQNSDC-HXUWFJFHSA-N 435.933 4.208 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H](c2ccc(F)c(Br)c2)C1 481613414 IXVZINWXYITXIU-GOSISDBHSA-N 425.254 4.079 5 20 IIBD COC(=O)c1cc(OCc2csc(N(C(C)=O)c3ccccc3F)n2)ccc1[N+](=O)[O-] 481895947 DKDKFKRSJWLWBQ-UHFFFAOYSA-N 445.428 4.241 5 20 IIBD C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)C1(c2ccccc2)CCCC1 484379786 DDWFXGPSCLUETE-AEFFLSMTSA-N 441.553 4.278 5 20 IIBD C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 487439916 BHRVDFFPDRMKLL-XOBRGWDASA-N 426.860 4.036 5 20 IIBD Cc1ccccc1CN(C1CC1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 488700991 PCWAIICXDWOHEP-UHFFFAOYSA-N 425.304 4.019 5 20 IIBD C[C@H](c1cc(F)ccc1F)N(C)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 489002153 QDWCILHSELUKDB-SECBINFHSA-N 435.246 4.017 5 20 IIBD Cn1cc(C(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)c(-c2ccc([N+](=O)[O-])cc2)n1 489273777 DPGJLKCEKDZXCH-UHFFFAOYSA-N 442.888 4.363 5 20 IIBD COc1ccc(N(Cc2ccco2)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1F 489926354 BVRVLDYOXHCXHR-UHFFFAOYSA-N 436.399 4.368 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@H]1COCCN1Cc1c(Cl)cccc1[N+](=O)[O-] 494782695 NAAXVIDZLBXUAC-MRXNPFEDSA-N 432.830 4.197 5 20 IIBD C[C@@H]1CN(Cc2ccccc2NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H](C)O1 497796496 YTSGLLZCXHBGDZ-ZIAGYGMSSA-N 435.427 4.058 5 20 IIBD CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 498067820 QQTNFZSTBWRNOJ-UHFFFAOYSA-N 445.884 4.326 5 20 IIBD Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])c(C)s1 501205440 KKMIDSUXMRHOIT-SFHVURJKSA-N 444.488 4.120 5 20 IIBD CCC[C@@H]1C[C@H](C(=O)N(CCOC)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CCO1 502568010 GQDZJTCKRPQPSO-SJLPKXTDSA-N 433.530 4.293 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2ncnc3ccsc23)CC1 503424440 WEAIVAJUTVNMAP-UHFFFAOYSA-N 443.554 4.064 5 20 IIBD O=C(CCN1CCCCC1)Nc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 505778332 LSCYJVYAQOCVQM-UHFFFAOYSA-N 430.892 4.315 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N(C)Cc2ccc3c(c2)OCO3)cc1[N+](=O)[O-])c1ccccn1 505996095 MJDZZDSIFLFZLF-OAHLLOKOSA-N 434.452 4.164 5 20 IIBD CCC[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C(=O)Nc1cccc(N2CCCC2)c1 506027051 ZHFGTWQUJSMIRS-NRFANRHFSA-N 449.511 4.214 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCc2cn(CCOC)nc21 509693435 YOIOWHPQDPRTKG-SFHVURJKSA-N 432.546 4.137 5 20 IIBD C[C@@H]1C[C@@H](CCNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 510114323 USSADHNEMYAETM-UYAOXDASSA-N 447.539 4.026 5 20 IIBD CCn1c(SCC(=O)N(CC(F)(F)F)C(C)C)nc2cc3ccccc3cc2c1=O 510385246 VDDOZJSIQBNCCT-UHFFFAOYSA-N 437.487 4.461 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 510497449 VQONTBCPCJCNAC-UHFFFAOYSA-N 438.311 4.449 5 20 IIBD Cc1ccc(OCc2cccc(C(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCCO4)c2)cn1 510923886 XQVWDYJJTABYBC-UHFFFAOYSA-N 435.436 4.291 5 20 IIBD CC1(c2nc3ccccc3s2)CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 511120214 BYKPUJVKOBELNH-UHFFFAOYSA-N 436.537 4.147 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2N2CCCC2)cc([N+](=O)[O-])c1 512713717 GEOBBYTXFZMMBS-UHFFFAOYSA-N 437.374 4.253 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2ccc(Cl)s2)nc1 512875527 FBKBNLZBNNCPOI-UHFFFAOYSA-N 430.873 4.130 5 20 IIBD CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]2CCCC[C@@H]21 513074001 FQVCAOKZMBWGDJ-UWEUENHESA-N 445.560 4.145 5 20 IIBD Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 515681496 AEEALLWVLZBZJU-HNNXBMFYSA-N 428.448 4.093 5 20 IIBD O=C(NCC1(c2cccc(Br)c2)CCOCC1)Nc1ccc([N+](=O)[O-])cc1 515782882 ZGYJNLXHXXPYDN-UHFFFAOYSA-N 434.290 4.227 5 20 IIBD Cc1csc(-c2cccc(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)c2)n1 518894409 BWWNRCOOCQOSDQ-OAHLLOKOSA-N 442.522 4.332 5 20 IIBD O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 519679702 IJNWJGFBFKEMLS-HNNXBMFYSA-N 430.766 4.361 5 20 IIBD O=C1c2ccccc2N[C@H](c2csc(-c3cccc([N+](=O)[O-])c3)n2)N1C[C@@H]1CCCO1 522195524 ZQYVDIMBBWODLT-JXFKEZNVSA-N 436.493 4.464 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c(C)c1 522673565 FFLWJNJRJFEQRO-HNNXBMFYSA-N 429.498 4.270 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc([N+](=O)[O-])c1 522868618 FHNFWQIBCNHYTM-UHFFFAOYSA-N 449.423 4.219 5 20 IIBD Cc1nc(-c2ccccc2)c(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)s1 522875821 QZZBJVYRWPQTNC-UHFFFAOYSA-N 438.465 4.354 5 20 IIBD COc1cc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)ccc1OC1CCCC1 524296391 WQDVPUOXHMCDIU-CQSZACIVSA-N 442.468 4.187 5 20 IIBD C[C@@H](c1cc(F)ccc1F)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br 532473900 ZRLUBBYCCZGTQP-JTQLQIEISA-N 428.233 4.267 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)N(Cc1csc(Br)c1)C1CC1 533113177 NWAIIOUJRQHGEW-UHFFFAOYSA-N 440.319 4.172 5 20 IIBD COc1ccc(NC(=O)CCSc2nnc(C)n2[C@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 534607553 IIOCMZONWCIFJD-HIFRSBDPSA-N 433.534 4.375 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nnc(C)n1[C@H]1CCC[C@H](C)C1 535337792 WOWWSRQHCSDMED-ZFWWWQNUSA-N 433.534 4.375 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N(CCc1ccccn1)Cc1ccc(F)cc1 536114644 RBOIEDCEABKDFM-UHFFFAOYSA-N 432.455 4.424 5 20 IIBD COc1ccc([C@@H](OC)[C@H](C)NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 536775424 CWEIOHYROHGMTJ-DJJJIMSYSA-N 427.482 4.233 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN(C(=O)c2n[nH]c4ccc([N+](=O)[O-])cc24)C3)cs1 537931409 PNAWPMHGGUALBE-UHFFFAOYSA-N 425.495 4.163 5 20 IIBD COc1ccc(C[C@@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])c2ccccc2)cc1OC 539260800 IGNVWUWMLJRILA-HXUWFJFHSA-N 435.480 4.124 5 20 IIBD CC[C@@](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1)(C(N)=O)C(C)C 541008568 JFDYWLPSOPCWGS-NRFANRHFSA-N 449.891 4.069 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NC[C@H](C)c2nccs2)c([N+](=O)[O-])c1 541621190 FNNZPMDFVCGANI-HNNXBMFYSA-N 446.554 4.482 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)N[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)n2)cc1F 541690712 RBIJWKJIODBONK-VXGBXAGGSA-N 447.854 4.424 5 20 IIBD C[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1F 542569946 SXOWLQWPUDEIID-AWEZNQCLSA-N 443.456 4.277 5 20 IIBD C[C@H](C(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1)c1ccc([N+](=O)[O-])cc1F 543533357 JTSZZYNYSLMVJU-ZFWWWQNUSA-N 442.422 4.433 5 20 IIBD CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C[C@@H]1N1CCCC1 545877715 TZGUUVAHWPTZQJ-FPOVZHCZSA-N 427.526 4.039 5 20 IIBD CCn1c(SCc2nc(Cc3cccc([N+](=O)[O-])c3C)no2)nnc1-c1ccco1 546484653 BGQIDVBNDFSTPJ-UHFFFAOYSA-N 426.458 4.041 5 20 IIBD CN(C)CCOc1ccc(-c2noc(Cn3c4ccccc4c(=O)c4ccccc43)n2)cc1 546980197 MBKRPVIRZPSFDB-UHFFFAOYSA-N 440.503 4.193 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)cc(N3CCN(C(C)C)CC3)c2)c1 549448816 MRESDDRHFKXDFL-UHFFFAOYSA-N 426.517 4.085 5 20 IIBD CC(C)(C)[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cccs2)CCO1 549577958 BRUZWTNSASDJOG-SFHVURJKSA-N 427.530 4.214 5 20 IIBD CC(=O)Nc1cc(NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)ccc1Cl 551767181 JFNSZMULDAUFQD-UHFFFAOYSA-N 432.864 4.081 5 20 IIBD CC(C)(C)OC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCCO2)CC1 555481604 LLLDODJRIMZNMH-HXUWFJFHSA-N 443.548 4.206 5 20 IIBD Cn1ccnc1[C@@H](NCc1cccc(NC(=O)c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 556874625 RNYGLJAGKJRRPV-QHCPKHFHSA-N 441.491 4.460 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ncc(-c2ccccc2F)s1 558814235 LJJSYKLAJDQZJX-UHFFFAOYSA-N 442.428 4.184 5 20 IIBD CCN(CCC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC)CC1)CC1CC1 558880754 HPDKOIJWFZYAGE-UHFFFAOYSA-N 426.565 4.212 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCc2sccc2[C@H]1c1cccs1 565688650 BDYGEBOLPLVHMD-IBGZPJMESA-N 441.534 4.393 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c1 566368631 XWYYNOGOLHMKTM-INIZCTEOSA-N 437.418 4.017 5 20 IIBD Cc1c(Cc2noc([C@H]3CCO[C@@H]3c3ccnn3Cc3ccccc3)n2)cccc1[N+](=O)[O-] 568679801 SGZAPQOGXACWEW-CVDCTZTESA-N 445.479 4.367 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc([C@H](c3ccc(Cl)cc3Cl)N3CCOCC3)n2)s1 570550633 PXYSJJICTQLDFV-HNNXBMFYSA-N 441.296 4.435 5 20 IIBD COc1cc(-c2nc(-c3cc(Cl)ccc3O[C@@H]3CCOC3)no2)cc([N+](=O)[O-])c1C 571086192 JYDCLIVYCLLANN-CQSZACIVSA-N 431.832 4.450 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 573787617 DWZAMOKADUJREA-QFIPXVFZSA-N 433.430 4.187 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CC2(CCC2)[C@H]1C(C)C 576616151 ZHNYMMHQNNRWOF-OAHLLOKOSA-N 428.270 4.159 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 588275387 KDZNEZXSXPKZDP-OAHLLOKOSA-N 428.510 4.432 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCCCO[C@H](C)c3ccccc3)cc2)c(C)c1[N+](=O)[O-] 590451285 PCNKOENTJGCFLH-LJQANCHMSA-N 436.512 4.354 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604318954 WMRZPQRGBBJMIU-ITGUQSILSA-N 427.345 4.346 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1nc2ccc(OCC(F)(F)F)cc2s1 608928058 AGZDGMFDWANARR-UHFFFAOYSA-N 447.416 4.255 5 20 IIBD COc1ccc(CC[C@H]2CCCCN2C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)cc1OC 609012031 NFJBPPNEQVHHMF-LJQANCHMSA-N 442.512 4.177 5 20 IIBD COc1cc(C(=O)Nc2cc(F)c(F)cc2F)c([N+](=O)[O-])cc1OCc1cscn1 609182584 BFWRRAFTNBPUPH-UHFFFAOYSA-N 439.371 4.309 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N[C@@H](Cc1ccccc1)c1cccs1 609743463 PPERLXKWDHGPRC-INIZCTEOSA-N 443.912 4.140 5 20 IIBD CCOc1ccc(-c2nc(CC(=O)Nc3cc(C(=O)OC)cc([N+](=O)[O-])c3)cs2)cc1 609837195 GQXAVWJXIHNYKT-UHFFFAOYSA-N 441.465 4.085 5 20 IIBD COc1ccc(-c2nsc(NC(=O)c3ccc([N+](=O)[O-])cc3Br)n2)cc1 610048414 ZMKIGBRPMHBFFS-UHFFFAOYSA-N 435.259 4.137 5 20 IIBD Cc1ccc(NC(=O)COc2ccc(CCNC(=O)c3cc(C)ccc3[N+](=O)[O-])cc2)cc1 610226235 NJVMVHCMKNXMOE-UHFFFAOYSA-N 447.491 4.202 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CCCN(C[C@@H]2CCCO2)CC1 612532731 PDABVRXSGZZSSI-FQEVSTJZSA-N 447.601 4.204 5 20 IIBD COc1cc2cc(-c3nc(Cc4c[nH]c5ccc([N+](=O)[O-])cc45)no3)[nH]c2c(OC)c1OC 612960168 HRMIUJLGARZBSE-UHFFFAOYSA-N 449.423 4.224 5 20 IIBD COc1ccc2[nH]cc(CCNC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)c2c1 681995785 JBNNGBXPADIKMW-UHFFFAOYSA-N 447.441 4.422 5 20 IIBD Cc1ccc2c(CC(=O)OCC(=O)Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c[nH]c2c1 726222504 CFTMAILPSJCKMM-UHFFFAOYSA-N 435.358 4.128 5 20 IIBD CN(C(=O)COC(=O)c1csc(-c2ccccc2Cl)n1)c1ccc([N+](=O)[O-])cc1 727562462 CICAJZBJRQUKLM-UHFFFAOYSA-N 431.857 4.192 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCc2cccc(C(=O)N3CCCCC3)c2)cc1SC 728649192 FUKJQAUOJXHKSF-UHFFFAOYSA-N 444.509 4.308 5 20 IIBD Cc1cc(O[C@H](C)C(=O)OC[C@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])ccc1Cl 730703118 HOLYPTWLCVTGQD-HZPDHXFCSA-N 446.887 4.172 5 20 IIBD O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 731830981 GRPMFHQSTDWUPS-OAQYLSRUSA-N 429.904 4.408 5 20 IIBD CCn1c(SCC(=O)Oc2c(C)cc(C)cc2[N+](=O)[O-])nnc1-c1cccc(C)c1 732968908 AZNYRJGJPGVYRT-UHFFFAOYSA-N 426.498 4.496 5 20 IIBD COC(=O)[C@@H](OC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(Cl)c1 733825681 XZXWOYHRHNLBOT-HWPZZCPQSA-N 428.224 4.126 5 20 IIBD COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 734811925 PEZLPLMZFIMEEJ-LIRRHRJNSA-N 429.473 4.047 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])OCc1nnc(-c2cccc(Cl)c2)o1 735150775 VGZIDVUURJJCLK-UHFFFAOYSA-N 438.223 4.464 5 20 IIBD COc1cc(C(=O)Nc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)c([N+](=O)[O-])cc1OC 742889939 OIAFRNYGTJBGEH-ZDUSSCGKSA-N 445.472 4.450 5 20 IIBD Cn1c(-c2ccc(F)cc2)nn(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1=S 743390044 GVCXZMSRKILBHN-UHFFFAOYSA-N 443.504 4.166 5 20 IIBD Cc1cc([C@@](C)(O)CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c(C)o1 743508290 NMVSVYWVPAAWOP-CMJOXMDJSA-N 438.484 4.010 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@](C)(OC)c3ccccc3)CC2)ccc1[N+](=O)[O-] 744202794 FORVPJFNTUFFFM-HSZRJFAPSA-N 428.485 4.067 5 20 IIBD O=C(CSc1nnc(-c2cccs2)n1C1CC1)OCc1ccc([N+](=O)[O-])cc1F 746980773 VTKUOEKAGBWPOG-UHFFFAOYSA-N 434.474 4.224 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccccc1NC(=O)OC(C)(C)C 748334273 RESMSIPFWXQBRM-UHFFFAOYSA-N 429.429 4.046 5 20 IIBD O=C(Nc1ccc(CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)cc1)c1ccc(F)cc1 749248915 PYDWTXKIGYEONN-UHFFFAOYSA-N 448.454 4.491 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 749931776 WJQAQQSEAKXWST-KRWDZBQOSA-N 437.924 4.500 5 20 IIBD O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1 750094609 DMGUNAHXGPYELZ-QFBILLFUSA-N 428.876 4.211 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C 750575822 BEVAAPHCMFFXGU-RLFYNMQTSA-N 437.562 4.370 5 20 IIBD O=C(c1ccccc1)c1ccc(N2CCOC[C@@H]2C[C@@H](O)c2cccs2)c([N+](=O)[O-])c1 754023868 JINGAHBNVSVAFF-GHTZIAJQSA-N 438.505 4.216 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1Br 754062464 USPCPYHCGBXKBH-STQMWFEESA-N 443.342 4.190 5 20 IIBD C[C@@H]1COCCN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C1 754236176 UHXDTVAPJHAWKG-ZDUSSCGKSA-N 429.523 4.464 5 20 IIBD C[C@@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1noc(-c2ccccc2)n1 755021259 CBGCZKBGPHSZND-SNVBAGLBSA-N 432.234 4.290 5 20 IIBD COc1c(S(=O)(=O)Oc2ccccc2Cl)cc(Br)c(C)c1[N+](=O)[O-] 755055931 BJWBXORDLVSDSE-UHFFFAOYSA-N 436.667 4.095 5 20 IIBD Cc1noc(C)c1COc1ccc(CC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc1 756994106 OXGLXNVOOCNASR-UHFFFAOYSA-N 429.860 4.291 5 20 IIBD COc1ccc(C(=O)Nc2ccc(C(=O)Nc3cc([N+](=O)[O-])c(F)cc3F)s2)cc1 757559694 CREGIKOFGQNELW-UHFFFAOYSA-N 433.392 4.448 5 20 IIBD COc1ccc(Br)c(CNC(=O)c2cccc([N+](=O)[O-])c2Br)c1 758088726 RROSSPFDVPDLOK-UHFFFAOYSA-N 444.079 4.058 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccccc1[C@@H](O)C(F)(F)F 758165362 MSKOZGDCQYETHD-CYBMUJFWSA-N 445.202 4.298 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@H](C)CC(=O)c1ccc(Cl)cc1 759851172 JRDOPOFVMGEBSM-CHWSQXEVSA-N 448.859 4.036 5 20 IIBD O=C(NC[C@H](O)c1cccc(OCc2ccccc2)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 761601504 VAEZOHOZZCLCOZ-DEOSSOPVSA-N 447.491 4.212 5 20 IIBD O=C(Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)c1cc(F)c([N+](=O)[O-])cc1F 763468861 VUKJNJOWCNHWOV-UHFFFAOYSA-N 438.452 4.373 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NS(=O)(=O)c1cc(Cl)ccc1Cl 764560419 VJMWDAKMZKXBOI-UHFFFAOYSA-N 435.310 4.132 5 20 IIBD COc1cc(C(=O)NCc2c(C)cccc2C)c([N+](=O)[O-])cc1OCc1cscn1 766585649 SVIZAIBIPILXJZ-UHFFFAOYSA-N 427.482 4.186 5 20 IIBD CC(C)OC(=O)C[C@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 768490924 NLOPWDVCVBTPOL-LLVKDONJSA-N 447.713 4.205 5 20 IIBD O=C(COC(=O)c1cc(Cl)cc(Br)c1F)Nc1cc([N+](=O)[O-])ccc1F 769515615 OGYDJXPMHVENEP-UHFFFAOYSA-N 449.591 4.084 5 20 IIBD COc1cc(OCC(=O)Oc2cc(NC(=O)OC(C)(C)C)ccc2C)ccc1[N+](=O)[O-] 770217394 NLXGHEMCZCCOFM-UHFFFAOYSA-N 432.429 4.243 5 20 IIBD CCc1c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cnn1-c1ccccc1C 770563594 ZYCKNHLEZMIFRQ-UHFFFAOYSA-N 442.859 4.100 5 20 IIBD CCOc1cc(N2CCCN(c3ccc([N+](=O)[O-])c(OCC)c3)CC2)ccc1[N+](=O)[O-] 771025837 MRXKSFPNMAUSCH-UHFFFAOYSA-N 430.461 4.017 5 20 IIBD O=C1c2ccccc2C(=O)N1CCOc1ccc(NCc2ccc([N+](=O)[O-])cc2F)cc1 775315123 HGXWUUKBBNAQOJ-UHFFFAOYSA-N 435.411 4.021 5 20 IIBD O=[N+]([O-])c1ccc([C@@H](O)CS(=O)(=O)Cc2ccc(Oc3ccccc3)c(F)c2)cc1 776262514 HQQIBJSUIHXRNU-FQEVSTJZSA-N 431.441 4.175 5 20 IIBD O=[N+]([O-])c1cc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)ccc1F 777594795 WJXPKJMTBLKVAA-CQSZACIVSA-N 444.868 4.136 5 20 IIBD Cc1cc(Br)c2c(c1)CN(C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 777838641 OGFUTOZAWLLRDT-UHFFFAOYSA-N 448.273 4.091 5 20 IIBD CN(C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C1CCN(C(=O)OC(C)(C)C)CC1 780345177 AVLZYOQTRSWMMN-UHFFFAOYSA-N 435.524 4.153 5 20 IIBD CC(C)n1ncc2cc(COc3cc([N+](=O)[O-])ccc3I)cnc21 780353551 ISEJAGLAYNKGDP-UHFFFAOYSA-N 438.225 4.104 5 20 IIBD CC[C@@H]1C[C@H](CC(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)CCO1 781952367 UFQODPNNJBBHKN-YFVAEKQCSA-N 432.517 4.118 5 20 IIBD O=C(OCc1nnc2n1CCCC2)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 782060654 HQTPKLNZZKVSQH-UHFFFAOYSA-N 441.875 4.145 5 20 IIBD CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccc2c(c1)OCCO2 782116528 AMWIPQWMKZRLCY-GOSISDBHSA-N 435.274 4.256 5 20 IIBD Cc1ccc(F)c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1Br 785120444 CICBUHYAZFGEGI-UHFFFAOYSA-N 445.628 4.254 5 20 IIBD COc1ccc(-c2nc(C)c(C(=O)OCc3ncc(C)c([N+](=O)[O-])c3C)s2)cc1OC 789445445 STLDKZYKXPQRBO-UHFFFAOYSA-N 443.481 4.413 5 20 IIBD COc1ccc(OC(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1[N+](=O)[O-] 792113624 MTZMYROZAPCVLX-LIRRHRJNSA-N 430.457 4.411 5 20 IIBD COC(=O)c1ccc(OC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC 792732010 YBODJYOJUSHCBM-UHFFFAOYSA-N 445.371 4.107 5 20 IIBD CC(C)CO[C@@H](C)c1noc(CN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)n1 792896965 IXCLWFHOUMHTPD-LBPRGKRZSA-N 439.310 4.032 5 20 IIBD O=[N+]([O-])c1ccc(Br)c2c1CN(Cc1cnc(-c3ccccc3)nc1)CC2 792912463 JOUNONTUHHXZQI-UHFFFAOYSA-N 425.286 4.373 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)c1ccc(NC(=O)c2ccccc2)cc1 795713227 WOZNAZSEUNYHFG-UHFFFAOYSA-N 448.431 4.286 5 20 IIBD O=C(C[C@H]1CCCC[C@@H]1O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 796147260 RCCKLKRPPGOYKO-MFMILTCTSA-N 446.887 4.412 5 20 IIBD C[C@H](OC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(N2CCCC2)cc1 796441732 KZTWCZHSXAZEOA-INIZCTEOSA-N 425.485 4.043 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 801919107 BELYADADRNACBJ-UHFFFAOYSA-N 448.863 4.213 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC(COc2ccccc2C(F)(F)F)CC1 801953971 ZPBOHHDDBBGZKQ-UHFFFAOYSA-N 441.381 4.266 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)O[C@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)c1F 803460571 JXDVXMZOCCCBPZ-LLVKDONJSA-N 426.803 4.039 5 20 IIBD C[C@H](N[C@H](C)c1ccc(N2CCCCC2=O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 810129040 RPHOBAKNPLSFQN-CABCVRRESA-N 444.919 4.443 5 20 IIBD O=C(CC[C@@H]1Cc2ccccc2NC1=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811220372 IESINTXHIRLPSW-OAHLLOKOSA-N 437.477 4.353 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3ccccn3)cc2)cc1Br 811839169 QOPFPMYNGCCCTG-UHFFFAOYSA-N 434.271 4.220 5 20 IIBD CC(C)(CCc1noc(CCc2ncc(-c3ccccc3Br)o2)n1)[N+](=O)[O-] 812815389 KZOYTHYEHVQXRK-UHFFFAOYSA-N 435.278 4.260 5 20 IIBD CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1Cl 813244296 WGTPBXFDFJCAQI-UHFFFAOYSA-N 445.884 4.326 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O 815174245 ARAMXFWKTMCPBT-BIENJYKASA-N 432.473 4.120 5 20 IIBD COc1ccc(C(=O)c2ccccc2)c(OC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1 899216124 OQJRDQRTMMRYBX-UHFFFAOYSA-N 443.415 4.239 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@H](C)C(c1ccccc1)c1ccccc1 915662580 BAGNIWPICCJEOV-QGZVFWFLSA-N 448.475 4.132 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])Cn1nc(-c2ccc(F)c(F)c2)c2ccccc2c1=O 917429325 RGFUUTXPPPBNQD-UHFFFAOYSA-N 436.418 4.339 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2cc(N3CCCC3=O)ccc2F)CC1 917797317 JIUVNLNKHZSONV-UHFFFAOYSA-N 440.475 4.349 5 20 IIBD CCOc1ccc([C@@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C(C)C)cc1OCC 918194592 ULHLBSSJMDWAEQ-IBGZPJMESA-N 440.493 4.207 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1cccc(COCCOc2ccccc2)c1 918400722 YKGNBWAQQLOJES-UHFFFAOYSA-N 446.456 4.130 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)CSc1nncn1-c1cccc(Cl)c1 918535228 YMNYQWPLALZFQB-UHFFFAOYSA-N 448.888 4.063 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])OCc1cc(Cl)ccc1OCc1cccnc1 918853615 QSSIWVIAULICDJ-UHFFFAOYSA-N 428.828 4.344 5 20 IIBD CCOc1cc(NC(=O)NC2CCN(c3cccc(F)c3)CC2)c([N+](=O)[O-])cc1OCC 1116112053 HDPOLZJAOMLWPO-UHFFFAOYSA-N 446.479 4.322 5 20 IIBD CC(C)(C)OC(=O)NCCCc1nnc(Cn2c3ccccc3c(=O)c3ccccc32)o1 1261429855 QIXGTKNDNHBWPK-UHFFFAOYSA-N 434.496 4.043 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(-c2cc3c(s2)CCC3)o1 1322144659 AXSDWVFFWRENHD-HNNXBMFYSA-N 444.538 4.419 5 20 IIBD COc1cccc(N2CCC(NC(=O)c3cc([N+](=O)[O-])cc(Br)c3C)CC2)c1 1324723529 WNTXKFQTXMTEDD-UHFFFAOYSA-N 448.317 4.073 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Oc1cc(F)c(Br)cc1Cl 1327141195 SJJKRYVKGRHLQI-UHFFFAOYSA-N 428.594 4.057 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccoc3Cl)cc2)CCC1)c1ccc([N+](=O)[O-])[nH]1 1790205494 UIIXWIRHDPZKGC-UHFFFAOYSA-N 428.832 4.231 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3F)CCC2)cc1)C1=COCCC1 1791638580 UWWOMDUGLBLCOY-UHFFFAOYSA-N 439.443 4.176 5 20 IIBD COC(C)(C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])cc2)CCC1 1792315521 WNISIZVQTGTXRV-NTEUORMPSA-N 437.496 4.167 5 20 IIBD Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)C3)cc1 1799717630 CNNPMFHKJHVNEC-REPLKXPHSA-N 441.915 4.431 5 20 IIBD CCC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])cc3F)[nH]n2)CCC1 1818950502 UQMCVFWYIGEIFZ-SFHVURJKSA-N 443.479 4.343 5 20 IIBD CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC2)CCC1 1823709302 FRPGBHVKDGHEGC-HXUWFJFHSA-N 431.508 4.157 5 20 IIBD O=C(CC1CC1)N1CCC([C@H]2CCCCN2C(=O)CSc2ccccc2[N+](=O)[O-])CC1 1831776395 MUGCNQGDGQPWBJ-LJQANCHMSA-N 445.585 4.107 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CC2(CCCN2C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)C1 1843934955 WKUYBOMPYDDIEX-XIBVMXCTSA-N 441.528 4.011 5 20 IIBD O=C(Nc1cc2c(cc1Cl)OCCCO2)C1CCN(c2ccccc2[N+](=O)[O-])CC1 11005071 WZIFSKPMLYUJHH-UHFFFAOYSA-N 431.876 4.265 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCc1csc(-c2cccs2)n1 19431213 BFVOLPWRYALFEQ-UHFFFAOYSA-N 445.478 4.211 5 20 IIBD O=C(Nc1ccc(C(=O)Nc2nccs2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 24920763 IZTRYOFILUSEHT-UHFFFAOYSA-N 437.481 4.156 5 20 IIBD CC(C)NC(=O)c1ccc(N[C@@H]2CCCc3c2cnn3Cc2ccccc2)c([N+](=O)[O-])c1 25578498 MSBRASZKWHMTLB-HXUWFJFHSA-N 433.512 4.467 5 20 IIBD COc1ccc(NC(=O)CCSc2nnc(Nc3ccccc3F)s2)c([N+](=O)[O-])c1 26361740 GCZLHVHRBKBJSP-UHFFFAOYSA-N 449.489 4.459 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2C)cc([N+](=O)[O-])c1 59769032 AMJMTBNYTKRUKJ-UHFFFAOYSA-N 439.468 4.005 5 20 IIBD O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 71880005 YKFBPBKKJTULDZ-HNNXBMFYSA-N 426.231 4.284 5 20 IIBD COc1cccc2cc(C(=O)N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)oc12 97255141 HKCMULRUPSYHTI-UHFFFAOYSA-N 449.385 4.331 5 20 IIBD CCOC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)nc1C 106067738 ISDQCLSVIBUPHE-UHFFFAOYSA-N 426.454 4.159 5 20 IIBD CCN(CC)CCOc1ccccc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 248263535 RKMQHASEEFMUCF-UHFFFAOYSA-N 436.306 4.330 5 20 IIBD COc1cc(C)c([C@@H](C)Nc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)cc1OC 301207460 ZZLXXBLNVWNXRH-CYBMUJFWSA-N 444.875 4.293 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCCc3cscn3)c([N+](=O)[O-])c2)c(C)c1 301301021 UVPIDSNYMFRZHB-UHFFFAOYSA-N 432.527 4.124 5 20 IIBD C[C@@H](NC(=O)N(C)CC(=O)NC(c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 431847689 VTHJLKJRUOPPTC-GOSISDBHSA-N 446.507 4.203 5 20 IIBD CCc1ccc([C@H](c2cccnc2)N(CC)S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 431908915 IEAVOXJVVATJPH-OAQYLSRUSA-N 443.500 4.492 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)c1ccc(O)c([N+](=O)[O-])c1)C(F)(F)F 436988463 PJCXYRIRSDVYEO-GOSISDBHSA-N 434.374 4.136 5 20 IIBD COC(=O)C(C)(C)c1ccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 438760705 XKEBCAIGRBANPV-UHFFFAOYSA-N 447.296 4.153 5 20 IIBD CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444116855 XLXPPONMHYHIGY-LJQANCHMSA-N 443.522 4.415 5 20 IIBD CC(C)(C)c1nsc(Oc2ccc(NC(=O)Cn3ccc([N+](=O)[O-])n3)cc2Cl)n1 444530358 XYXQSJWWTZECIV-UHFFFAOYSA-N 436.881 4.025 5 20 IIBD C[C@H](NC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)[C@@H](C)c1ccccc1C(F)(F)F 445226320 UFJKVMWQEQPATH-NEPJUHHUSA-N 435.406 4.481 5 20 IIBD COCCN(C(=O)Cc1ccc(F)cc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 445662678 CKSMZTUPKNFDDD-UHFFFAOYSA-N 433.436 4.219 5 20 IIBD C[C@H]1CN(c2ccccc2NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@H](C)O1 445820818 UWDJDVVBLDDPOH-KBPBESRZSA-N 448.317 4.152 5 20 IIBD O=C(Cc1noc(-c2cc3cc([N+](=O)[O-])ccc3s2)n1)NCc1cccc(Cl)c1 445825467 DWPJVMURGQSEDP-UHFFFAOYSA-N 428.857 4.372 5 20 IIBD C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 446251616 AIZYDMJOJHRMFV-XOBRGWDASA-N 440.887 4.251 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ccc(Cl)c(Br)c1 446693276 WOVWVJRKTNTHQG-UHFFFAOYSA-N 447.072 4.033 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c(Br)c1 447003507 SQGNHTXVSWKQDA-UHFFFAOYSA-N 425.182 4.177 5 20 IIBD Cc1cccc(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c1NC(=O)c1ccccc1F 461413097 KXRCHKGAWZQLLJ-UHFFFAOYSA-N 449.438 4.329 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@H]3c3ccsc3)n2C[C@@H]2CCOC2)c1 461590393 REXDUZJUAFVTHU-KXBFYZLASA-N 425.514 4.293 5 20 IIBD Cc1nc2c(s1)[C@H](N(C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])CCC2 462143804 XPZFYCCHFYRVHE-GFCCVEGCSA-N 436.342 4.365 5 20 IIBD Cc1cc(Br)ccc1C(=O)N1CCC(NCc2cccc([N+](=O)[O-])c2C)CC1 463279461 FOVCBOGRXPYPMY-UHFFFAOYSA-N 446.345 4.369 5 20 IIBD COc1cc(-c2nnc(COc3ccc([N+](=O)[O-])c4ccccc34)o2)cc(OC)c1OC 464801043 CLZVANYHMVWYOD-UHFFFAOYSA-N 437.408 4.403 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 466228763 SNXLQGRTMDODQF-YQQQUEKLSA-N 428.920 4.243 5 20 IIBD Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 468525423 WPXMEYGNCHYYMJ-UHFFFAOYSA-N 428.807 4.474 5 20 IIBD Cc1ccc([C@H](OC[C@H](O)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)c2ccccc2)cc1 470877527 KZRBXNUQFLHQDP-RCZVLFRGSA-N 444.491 4.329 5 20 IIBD O=[N+]([O-])c1cn(C[C@H](O)COC(c2ccccc2)c2ccccc2)nc1-c1ccncc1 470881954 ZCVXTNUNXUOJPL-NRFANRHFSA-N 430.464 4.020 5 20 IIBD COCCC[C@@H](Cc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 471307028 KUODVUHZBMSHHS-SFHVURJKSA-N 425.510 4.486 5 20 IIBD Cc1c(NC(=O)C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)cccc1[N+](=O)[O-] 475626307 QOKWJOXVCNIVAY-UHFFFAOYSA-N 435.402 4.267 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 475637731 HZUQLCKFDUTTKU-INIZCTEOSA-N 444.919 4.172 5 20 IIBD COc1ccc(CCN(Cc2ccsc2)C(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1OC 476914360 LMQUWZUOEWBEBL-UHFFFAOYSA-N 442.493 4.264 5 20 IIBD COC(=O)[C@](C)(NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 479236865 BEROEFLXUYROJD-LJQANCHMSA-N 425.268 4.039 5 20 IIBD O=C(Nc1n[nH]c(-c2c(F)cccc2F)n1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 479773260 PNWTWWDHAWSLKP-UHFFFAOYSA-N 428.380 4.034 5 20 IIBD COc1ccccc1NC(=O)c1ccc(NC(=O)NCc2cccc([N+](=O)[O-])c2C)cc1 480070982 VGBQNHBTUJDPHY-UHFFFAOYSA-N 434.452 4.486 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2nc(-c3ccccc3Cl)cs2)CC1 480525911 UGRWNFNFZPFVKR-UHFFFAOYSA-N 448.957 4.391 5 20 IIBD CCc1c(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cnn1-c1ccc(Cl)cc1 482740501 CLHGVJKDXWRODB-UHFFFAOYSA-N 436.859 4.434 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)Oc2ccccc2Br)c1 482806948 WEADUFKGUGEKFC-NSHDSACASA-N 425.304 4.277 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(OCC(=O)c2cc(C)n(CCc3cccs3)c2C)c1 482830878 VCZMFTMUTOWMIJ-UHFFFAOYSA-N 442.493 4.366 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cc(Br)cc3nc(C)oc23)cc([N+](=O)[O-])c1 484440769 LFXCSEBJAWNPIN-UHFFFAOYSA-N 448.229 4.236 5 20 IIBD Cc1nn(CCC(=O)N[C@@H](C)c2ccc(OCc3ccc(F)cc3)cc2)c(C)c1[N+](=O)[O-] 485606564 ZFZNSPPOCPTFQR-HNNXBMFYSA-N 440.475 4.394 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)c(C)c([N+](=O)[O-])c1 486857462 KEKHNOZIBMSAJM-OAHLLOKOSA-N 447.316 4.393 5 20 IIBD CCCNC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1Cl 487645342 LWBXIKGUBAMIOB-UHFFFAOYSA-N 427.791 4.242 5 20 IIBD O=c1c([N+](=O)[O-])cn(Cc2cc(Br)ccc2OC(F)F)c2ccccc12 487898385 OSZUOCHQPRKIAW-UHFFFAOYSA-N 425.185 4.322 5 20 IIBD COc1ccc(C[C@H](C)CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1OC 490963151 GPFJIFWWSKTOMK-INIZCTEOSA-N 427.501 4.165 5 20 IIBD CCOc1cc(NC(=O)N2CCC[C@H](CN3CCC(C)CC3)C2)c([N+](=O)[O-])cc1OCC 491869908 WQPBNHSCKQRZDQ-GOSISDBHSA-N 448.564 4.368 5 20 IIBD COC(=O)[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)Cc1cccc2ccccc12 498929832 PAEWCHKCIVEXHV-SFHVURJKSA-N 433.464 4.077 5 20 IIBD C[C@@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)c1ccccc1C(F)(F)F 500117825 GFOLVLLAACXDCO-UONOGXRCSA-N 437.418 4.042 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)c(O)c(Cl)c2)ccc1[N+](=O)[O-] 501981426 WCECEPJWWRNXCV-INIZCTEOSA-N 438.267 4.159 5 20 IIBD CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 504926997 MBJQAMVZYCOQCV-DOTOQJQBSA-N 437.587 4.067 5 20 IIBD Cc1ccc([C@@H](CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)N2CCCC2)o1 506360977 AZSSJZRNMVOLSO-JOCHJYFZSA-N 440.544 4.299 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)cc1[N+](=O)[O-])c1ccccn1 508342487 LCNVGHVJYUOLDX-KURKYZTESA-N 425.533 4.013 5 20 IIBD Cc1cc(N(C)C)ccc1NC(=O)c1cc([N+](=O)[O-])cc(I)c1C 510496364 LSSKUAIEXNNGTH-UHFFFAOYSA-N 439.253 4.135 5 20 IIBD CC(C)n1c([C@@H]2CCCN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)nc2ccccc21 510691148 OWFPRXMWMQXZRQ-LJQANCHMSA-N 447.539 4.294 5 20 IIBD CC[C@@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccc(Cl)s1 510758022 FSRNUNPLZSFCCC-LLVKDONJSA-N 437.934 4.471 5 20 IIBD O=C(NCc1ccsc1Br)c1sc(Br)cc1[N+](=O)[O-] 511976781 JPULSOHTOCUDPC-UHFFFAOYSA-N 426.111 4.173 5 20 IIBD COc1cc(C(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])cc1OC(F)F 512286607 VVPSLHRRLAXGCV-BBRMVZONSA-N 436.411 4.103 5 20 IIBD CCOc1ccc([C@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 513468307 GCGKXCUSUSRVKK-JOCHJYFZSA-N 426.494 4.203 5 20 IIBD CC(C)[C@H](CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCOCC1 514935662 ZPKUBEJDQAWJLG-FQEVSTJZSA-N 447.919 4.127 5 20 IIBD O=C(N[C@@H](CCc1ccccc1)c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 515901149 VHTSJWGCFBORAY-QHCPKHFHSA-N 445.523 4.196 5 20 IIBD COc1ccccc1CC(C)(C)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 517919950 MBUGATIAFXFMOE-UHFFFAOYSA-N 426.391 4.296 5 20 IIBD CC1CCN(C[C@@H](O)CNCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 518285073 GIDBEIRZASFYLF-IBGZPJMESA-N 433.936 4.223 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccccc2NC(=O)C[C@H]2C=CCC2)cc1C 518603828 MOBVRZKLKVTGFE-INIZCTEOSA-N 429.498 4.307 5 20 IIBD O=C(N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 518935350 BOTCVQHPHVKESX-OAHLLOKOSA-N 430.867 4.263 5 20 IIBD Cc1cc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 519576455 OPOIJVUYOMGAQS-XMSQKQJNSA-N 433.512 4.289 5 20 IIBD COCCN([C@@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 519890958 XYIKJTXPJRJYDO-AWEZNQCLSA-N 446.447 4.153 5 20 IIBD COc1ccc(C)cc1-n1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1 519958105 ZJPMSDDHLLDKCT-UHFFFAOYSA-N 435.465 4.473 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 520795235 XCWCTSHKVVFVMB-UHFFFAOYSA-N 437.525 4.376 5 20 IIBD CN(Cc1ccccc1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C1CCCCC1 521336195 AZNPPJWBDRJUQR-UHFFFAOYSA-N 434.500 4.192 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CCSCc1nc(O)c2ccccc2n1 523546720 HMFVVRXALOKGSF-UHFFFAOYSA-N 440.525 4.304 5 20 IIBD C[C@@H]1CN(CC2CCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])CC2)C[C@@H](C)O1 524222991 YPPMAABLUBHVQV-RTBURBONSA-N 437.540 4.151 5 20 IIBD O=C(COc1ccc(Br)cc1[N+](=O)[O-])Nc1ccccc1Br 525627021 WNEVPXIDBOEOPC-UHFFFAOYSA-N 430.052 4.137 5 20 IIBD COc1ccc(S(=O)(=O)N(C)[C@@H](c2ccncc2)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 531380742 YBSZYYAQWLONLW-HXUWFJFHSA-N 447.900 4.062 5 20 IIBD C[C@H](NC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1)c1cccc([N+](=O)[O-])c1 532457694 FXEWIKVAXHHRGN-HNNXBMFYSA-N 449.492 4.405 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 533958944 NLHUTXMERBONIA-JOCHJYFZSA-N 445.479 4.002 5 20 IIBD C[C@@H](NC(=O)C[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1Cl 535507487 MCGYXDSRDHBDHW-OSXTUODASA-N 447.900 4.029 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2ccccc2)[C@@H]1C 535667102 ZLASPBUMNYVRPZ-YJBOKZPZSA-N 428.510 4.268 5 20 IIBD O=C(Nc1ccccc1C(F)(F)F)c1cc(I)cc([N+](=O)[O-])c1 536571459 AHFJCPARINWNAZ-UHFFFAOYSA-N 436.127 4.471 5 20 IIBD O=C(Nc1ccc(OCc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1N1CCOCC1 540664502 XZXVLXBRDFRJPK-UHFFFAOYSA-N 433.464 4.263 5 20 IIBD Cc1cc(C(=O)NCC(=O)N[C@H](c2ccc(Cl)cc2)c2ccsc2)ccc1[N+](=O)[O-] 542020634 IYMZKOACESIZIV-HXUWFJFHSA-N 443.912 4.254 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]1c1ccc2c(c1)OCCO2 542336395 OHSZURJGRROKQY-HNNXBMFYSA-N 434.901 4.475 5 20 IIBD CCCCNC(=O)c1ccc(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1 543256195 DBKHTVNDVUYDMF-UHFFFAOYSA-N 435.933 4.187 5 20 IIBD O=C(Nc1ccc(Oc2nncc3ccccc23)cc1)c1cc([N+](=O)[O-])cc2c1OCCO2 544029530 AVXJOGATSDHHIU-UHFFFAOYSA-N 444.403 4.354 5 20 IIBD Cc1cc(N2C[C@H](c3nc(Cc4c[nH]c5ccc([N+](=O)[O-])cc45)no3)CC2=O)ccc1F 546490142 DYYUDXRMORKRRD-CQSZACIVSA-N 435.415 4.018 5 20 IIBD CCc1nc2cc(CNC(=O)COc3ccc([N+](=O)[O-])c4cccnc34)ccc2n1C1CC1 549536876 OULZNHRCWJAYJA-UHFFFAOYSA-N 445.479 4.085 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 551795156 IJZWJOZYZOJGFS-FQEVSTJZSA-N 447.894 4.094 5 20 IIBD CC[C@@H]1CN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C[C@H](C)[S@@]1=O 557581191 IVUDLGKGAKQABK-UZXAJXEFSA-N 432.567 4.426 5 20 IIBD CC(=O)NCC[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 561713826 FMPZVZQLABTDCU-MRXNPFEDSA-N 445.903 4.419 5 20 IIBD Cc1cc(NS(=O)(=O)Cc2cccc(C(F)(F)F)c2)n(-c2ccc([N+](=O)[O-])cc2)n1 569013159 UAHGQCJMBKGBJM-UHFFFAOYSA-N 440.403 4.050 5 20 IIBD O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@H](Cc1ccccc1)C(F)(F)F 575226087 MEGHWSYVFLHYKO-INIZCTEOSA-N 434.418 4.339 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N(Cc2c(C)noc2C)Cc2c(C)noc2C)c1 582193593 RENIDBCQIXNAHG-UHFFFAOYSA-N 428.445 4.046 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@@H](C(C)C)[C@H](O)C(F)(F)F)cc2[N+](=O)[O-])n1 590356278 XDBMVYRIDIUELC-KBPBESRZSA-N 449.476 4.189 5 20 IIBD COc1ccc(OC)c(-c2csc(NC(=O)CCOc3ccccc3[N+](=O)[O-])n2)c1 603947446 LMUYQIFBNPLBNP-UHFFFAOYSA-N 429.454 4.143 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 603977252 ZFOOKCGDDMBKSM-UHFFFAOYSA-N 435.477 4.362 5 20 IIBD CC(C)CCSc1ccc(C(=O)NCC(=O)N(C)Cc2ccccc2)cc1[N+](=O)[O-] 603991046 RYXBFPJVPCSOAG-UHFFFAOYSA-N 429.542 4.121 5 20 IIBD CCC[C@@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 608850984 HJIFQRIULDEEIH-MRXNPFEDSA-N 433.390 4.466 5 20 IIBD COC(=O)c1cc(C(=O)N2CCCc3cc(Br)cc(C)c32)cc([N+](=O)[O-])c1 609102604 KASWEVZUFFNSCI-UHFFFAOYSA-N 433.258 4.045 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)cc([N+](=O)[O-])c1 609263030 BISRYYLJCUQEEL-UHFFFAOYSA-N 434.383 4.316 5 20 IIBD CCOC(=O)c1cc(S(=O)(=O)Nc2ccc(-c3nccs3)cc2)cc([N+](=O)[O-])c1C 609700510 PPNNPQOFHSEHCL-UHFFFAOYSA-N 447.494 4.004 5 20 IIBD Cc1ccc(C)c(NC(=O)[C@@H](C)SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c1 609770614 DFFIQZAQTKYCHH-OAHLLOKOSA-N 429.498 4.270 5 20 IIBD O=C(c1ccc(Oc2ccc(F)c(F)c2)cc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 609881010 ALQRCAIAVMLIKZ-OAHLLOKOSA-N 440.406 4.387 5 20 IIBD Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 609941815 OZUUESGFDNYMSH-GFCCVEGCSA-N 441.431 4.374 5 20 IIBD CN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@H](c1cccc(F)c1)c1cnn(C)c1 609970022 KUAZVCIDHFHECP-OAQYLSRUSA-N 446.866 4.138 5 20 IIBD O=C([C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)N1CCc2c1cccc2[N+](=O)[O-] 609973616 YYRYIEFYTXSEAY-GOSISDBHSA-N 434.279 4.096 5 20 IIBD Cc1c(C(=O)NCC2(c3cccs3)CCCCC2)nnn1-c1cccc([N+](=O)[O-])c1 610049297 UQYOXAMZILKQIT-UHFFFAOYSA-N 425.514 4.177 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCc1cccc(NC(=O)c2ccncc2)c1 610105214 IMJNHAODPFSGBX-UHFFFAOYSA-N 447.495 4.064 5 20 IIBD O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 610861075 PBYULWLWVXBXAZ-SFHVURJKSA-N 439.537 4.267 5 20 IIBD C[C@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 611474163 YRAYMGMGVBWHOH-HTAPYJJXSA-N 434.496 4.064 5 20 IIBD COc1ccc(CN2CCC([C@@H]3CCOC3)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 612402075 CQAKXRFFKVEWCX-OAQYLSRUSA-N 426.513 4.431 5 20 IIBD CC(C)(C(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1)c1ccc([N+](=O)[O-])cc1F 612997979 MOBKUAJGQWHJLD-UHFFFAOYSA-N 438.459 4.468 5 20 IIBD C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 727203095 OBBHIDDXPYTGBA-LLVKDONJSA-N 437.330 4.174 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(SC(F)F)c2)cc1Br 727363374 MVYRBLPVBYBUSP-UHFFFAOYSA-N 439.259 4.473 5 20 IIBD Cn1ccc2c(NC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4C(F)(F)F)CC3)cccc21 727595222 MCZXESPFHDSKMU-UHFFFAOYSA-N 447.417 4.459 5 20 IIBD CC(=O)c1cc(Br)ccc1OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 727966698 DYSRBXXVWPGNMX-UHFFFAOYSA-N 433.258 4.379 5 20 IIBD O=C(COC(=O)C[C@@H](c1ccccc1)C(F)(F)F)Nc1ccc([N+](=O)[O-])cc1Cl 728656725 MEGHXLRJBPYRGM-ZDUSSCGKSA-N 430.766 4.466 5 20 IIBD O=C(Cc1c[nH]c2cc(Cl)ccc12)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730703533 HULJQQIIXSHBPI-MRXNPFEDSA-N 441.871 4.120 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1cccc(COc2ccccc2)c1 731051921 USLJSCDYEJILLN-UHFFFAOYSA-N 439.855 4.196 5 20 IIBD Cc1c(NC(=O)[C@H](C)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] 731482452 OKFTZFSGZINYET-YCRPNKLZSA-N 431.920 4.329 5 20 IIBD CC(C)(C)OC(=O)N1CCC(n2cccc2C(=O)OCc2cc(F)ccc2[N+](=O)[O-])CC1 731521044 QONJALSVXFOTMY-UHFFFAOYSA-N 447.463 4.464 5 20 IIBD O=C(Nc1ccccc1C(=O)NCC1CCSCC1)c1ccc([N+](=O)[O-])cc1Cl 733273499 QOVQTOUNDMOZAR-UHFFFAOYSA-N 433.917 4.374 5 20 IIBD C[C@H](OC(=O)CO[C@@H]1CCCC[C@@H]1C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 733572421 XEUBUSUHBHUQAD-SUNYJGFJSA-N 447.513 4.184 5 20 IIBD CCc1ccc(OC(=O)Cc2csc(-c3ccc(OC)c(OC)c3)n2)c([N+](=O)[O-])c1 734738037 YLAVPXBYKVKZBM-UHFFFAOYSA-N 428.466 4.446 5 20 IIBD O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 735019991 DRZRPCPQGIFDTR-PMERELPUSA-N 431.470 4.337 5 20 IIBD O=C(NS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@]1(Cc2ccc(Cl)cc2)C[C@H]2CC[C@H]1C2 735766901 XPQNRGLCIBVMOW-CKJXQJPGSA-N 448.928 4.102 5 20 IIBD CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2sc(C)nc2C)NC(=O)N1CC1CC1 736538242 IULYDGLYCMGMRY-SFHVURJKSA-N 441.513 4.057 5 20 IIBD O=[N+]([O-])c1ccc(/C(O)=C(/C(=S)N[C@H]2C[C@H]3CC[C@H]2C3)[n+]2cc(O)cc(Cl)c2)cc1 738014254 QWVWZVGIXIMIJR-YEWDVWPNSA-O 446.936 4.231 5 20 IIBD Cc1cc(N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 740868941 FVDNSNPICIBOHK-RDTXWAMCSA-N 427.505 4.100 5 20 IIBD CCc1cc(N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 740869199 IDBQONAXHBVFTI-BEFAXECRSA-N 441.532 4.354 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[C@H]1C[C@H]1c1cccc(F)c1F 741518428 SCSDKCWEOZGOMH-IRXDYDNUSA-N 442.422 4.464 5 20 IIBD CCc1cc(=O)oc2cc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)ccc12 746602769 FZKAUNHSMQKQPS-UHFFFAOYSA-N 443.355 4.050 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 747023366 HHHRCGDPJKAYGW-JTQLQIEISA-N 427.240 4.196 5 20 IIBD O=[N+]([O-])c1cc(Cc2ccccc2)ccc1OS(=O)(=O)c1c(Cl)nc2sccn12 748069699 WNXRLSPYFFVSHB-UHFFFAOYSA-N 449.897 4.316 5 20 IIBD C[C@H]1C[C@H](C)CN(CCCCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 749568805 WSHXDUNKFQEVGD-STQMWFEESA-N 446.773 4.499 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1cc(Br)c(F)cc1Cl 751219978 XKVLOHSTHBXMLI-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@@H](C)C[C@@H](O)c3cccs3)cc2[N+](=O)[O-])C1 752272886 FQBFNSORDLNMHS-KSVNGYGVSA-N 431.558 4.381 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 753136169 GYLPZVDAHIYOJE-UHFFFAOYSA-N 446.217 4.012 5 20 IIBD Cc1ccc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c(Br)n1 753208920 MRHCKJBLRSKJSE-UHFFFAOYSA-N 429.068 4.384 5 20 IIBD O=C(OCc1ccn(-c2ccc(F)cc2F)n1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 753361377 RLOCMUYAJYYJJV-UHFFFAOYSA-N 442.422 4.019 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 753382294 JTPNRAQTNMBXQO-HSZRJFAPSA-N 446.548 4.306 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)OCCC[C@H]1CCCO1 756069617 FITLLCQTVIRXMJ-JOCHJYFZSA-N 435.480 4.492 5 20 IIBD O=C(c1cc(F)ccc1F)C1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 756963750 DTOWMUROWDSMLW-UHFFFAOYSA-N 437.830 4.331 5 20 IIBD CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 757440631 MWYDWZZMMYYWJP-UHFFFAOYSA-N 446.507 4.305 5 20 IIBD CC(C)(C)c1cc(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)n(-c2ccccn2)n1 758055592 OUWNQWHMGJWJOD-UHFFFAOYSA-N 428.880 4.448 5 20 IIBD CCc1nnc(C)cc1C(=O)O[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 759716813 UVAIEPMFGXAJHX-NRFANRHFSA-N 434.452 4.101 5 20 IIBD Cc1nn(CN2[C@H]3CCC[C@H]2CC(NC(=O)OC(C)(C)C)C3)c2cc([N+](=O)[O-])ccc12 761292584 LSXPNEUYMHBYEW-IRXDYDNUSA-N 429.521 4.121 5 20 IIBD C[C@H](c1nc(-c2ccccc2)no1)N1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 761505928 ITRBRAKIAXPEGU-OAHLLOKOSA-N 427.892 4.177 5 20 IIBD COC(=O)c1ccc(OC(=O)C23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)cc1[N+](=O)[O-] 763703719 CIRMWZSXIKOVCX-TYGXQLQZSA-N 438.274 4.021 5 20 IIBD CCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(=O)Nc1cccc(N2CCCC2)c1 764221702 RXPWZSVASYGNGV-LJQANCHMSA-N 444.919 4.386 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 764262774 ZMCKTQKOVYIWLU-UHFFFAOYSA-N 441.915 4.292 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN(C)Cc2ccc(OC)c(F)c2)c1=S 764862075 ZLZLOIMRWCRZIQ-UHFFFAOYSA-N 431.493 4.246 5 20 IIBD C[C@@H](c1cc(F)ccc1F)N(C)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 765165763 AFMVCDCOFSHOIY-VIFPVBQESA-N 435.246 4.017 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccccc2NC(=O)c2cccs2)cc([N+](=O)[O-])c1F 768270291 SGXVWUOKQPHQTH-UHFFFAOYSA-N 435.458 4.157 5 20 IIBD Cc1nn(CC(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1-c1ccccc1 769327996 FUFUGAJRXFTRPI-OAHLLOKOSA-N 433.424 4.121 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)c1ccc(OC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)cc1 774493816 APJMUJUVLYOKDD-LBPRGKRZSA-N 426.429 4.276 5 20 IIBD CSc1cccc(C(=O)OCC(=O)c2cc(C)n(-c3nccs3)c2C)c1[N+](=O)[O-] 777077649 WTZXKHAEWACTJC-UHFFFAOYSA-N 431.495 4.220 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCC(F)(F)F)cc2)cc1[N+](=O)[O-] 777638663 XLAOQDLTJVGZGJ-UHFFFAOYSA-N 447.391 4.069 5 20 IIBD O=C(Cc1csc(-c2cccs2)n1)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 778799929 RAVYBCJBAQGHAN-AWEZNQCLSA-N 433.486 4.284 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1 778807102 WGIIEJGGPUOWRB-CYBMUJFWSA-N 445.415 4.086 5 20 IIBD O=C(Nc1cccc2c1OCCC2=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 780804906 MQWYFDDXSSVYQH-UHFFFAOYSA-N 425.622 4.228 5 20 IIBD COc1cc(C(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)cc(OC)c1C(C)C 781454770 XDMYRBUMKSJNOB-UHFFFAOYSA-N 443.500 4.204 5 20 IIBD Cc1cc(C)n(Cc2cccc(-c3noc(CCc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])n3)c2)n1 781615099 PXAVPRCWZMKAMI-UHFFFAOYSA-N 448.439 4.200 5 20 IIBD COc1ccc(NC(=O)N(Cc2ccccc2)C[C@H](O)c2cccs2)cc1[N+](=O)[O-] 782628087 YPRCINVJXJPFNW-SFHVURJKSA-N 427.482 4.433 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 783938122 HOUQXVLQDJFGRP-IVMMDQJWSA-N 438.912 4.405 5 20 IIBD O=C(Nc1cc(Br)c(F)cc1F)c1cc([N+](=O)[O-])ccc1N1CCCC1 787322953 ABSHXXSAJPZHHL-UHFFFAOYSA-N 426.217 4.488 5 20 IIBD COc1ccc(NC(=O)N2CCC3(CC2)CCN(C(=O)OC(C)(C)C)CC3)cc1[N+](=O)[O-] 792363206 OLNVQZYLYSQVTN-UHFFFAOYSA-N 448.520 4.248 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)Nc1ccc(F)cc1F 792472548 AGGKIDNGDJWWIQ-SECBINFHSA-N 443.200 4.128 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H]2CN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@H]21 795098844 HNDHGZQAOUKUQS-QFBILLFUSA-N 428.489 4.081 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(SCCc3ccc([N+](=O)[O-])cc3)o2)C1 795261447 LDMUVQHWPIGQGB-HNNXBMFYSA-N 434.518 4.427 5 20 IIBD COc1ccc(CN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)[C@H](C)C2CC2)c(OC)c1 800858097 IPVHNGQUITZVTL-MRXNPFEDSA-N 437.500 4.129 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)cnc1Cl 800904464 XKNBFWKNEJRGAZ-UHFFFAOYSA-N 431.617 4.117 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1CCNC(=O)OC(C)(C)C 805299112 TYYCWERLZPORGI-JKSUJKDBSA-N 437.562 4.371 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(N2CCCCC2=O)cc1 811966010 IIMYQCSISUXPIO-CYBMUJFWSA-N 433.411 4.204 5 20 IIBD Cc1ccc(CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c(O[C@@H]2CCOC2)c1 813053494 KOVMJBSOOQZXKN-CQSZACIVSA-N 425.268 4.308 5 20 IIBD C[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C[C@H](c2cccc(C(F)(F)F)c2)O1 813627525 GSBPPNSQIXLZJP-RNODOKPDSA-N 449.429 4.472 5 20 IIBD C[C@H](c1ccc(F)cc1)N1CC[C@H](OC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O 815213397 FLPRWMXFBJIENR-DIFFPNOSSA-N 440.349 4.272 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])CC2)C1 817195239 ZISCDZGZQDRUCD-UHFFFAOYSA-N 431.533 4.122 5 20 IIBD COc1ccc(CSCC(=O)O[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1[N+](=O)[O-] 914915916 HPJYTKMNRYKOOF-INIZCTEOSA-N 446.525 4.332 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(OC(F)(F)F)cc1 916499422 UDXWFRDYJMXAGD-CQSZACIVSA-N 446.765 4.181 5 20 IIBD Cc1c(C(=O)N(C)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)oc2ccc(Cl)cc12 916989869 CVQNJBYOFVDDDM-UHFFFAOYSA-N 443.264 4.417 5 20 IIBD CC(C)Oc1cccc(CNC(=O)COC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 919000642 AXDMDFWBEHIOAX-UHFFFAOYSA-N 428.485 4.153 5 20 IIBD CCCOc1ncccc1CNc1cc([N+](=O)[O-])c(OC)c(Br)c1[N+](=O)[O-] 920486272 WLGWTCOEZPHJJW-UHFFFAOYSA-N 441.238 4.070 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2c([N+](=O)[O-])c(C)nn2C)c2ccccc2)cc1Cl 920660937 JKLVYPOWXLZBGO-LJQANCHMSA-N 442.859 4.135 5 20 IIBD COc1ccc(COCc2cccc(NS(=O)(=O)c3cc(F)ccc3[N+](=O)[O-])c2)cc1 921164440 DAPVPBBQBJNOJX-UHFFFAOYSA-N 446.456 4.260 5 20 IIBD CC(=O)NCc1ccc(-c2csc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)n2)cc1 1115850008 XAVDBVIILCVVBX-UHFFFAOYSA-N 436.449 4.353 5 20 IIBD O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)NCc1cccc([N+](=O)[O-])c1 1121815926 PRMVNTIAEUAYLL-UHFFFAOYSA-N 434.827 4.254 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cnn(Cc3cccnc3)c2)cc1 1318099259 MFXZXWOVCJMQAC-UHFFFAOYSA-N 445.435 4.288 5 20 IIBD CCc1c(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cnn1-c1ccc(Br)cc1 1318774927 DPZFQNJKFSVMDE-UHFFFAOYSA-N 441.285 4.261 5 20 IIBD Cc1ccc(CC2CCN(C(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)CC2)cc1 1320135382 BIUCSLOIMNNBLA-UHFFFAOYSA-N 437.496 4.073 5 20 IIBD Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 1320367105 XCHXUDQASGQSPL-UHFFFAOYSA-N 427.258 4.007 5 20 IIBD CC1CCN(C[C@@H](C)c2nnc(-c3cc(F)cc([N+](=O)[O-])c3Br)o2)CC1 1326267965 YVIVZZZMKUAXBR-LLVKDONJSA-N 427.274 4.382 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 1338290924 VPKXSNCGLNBVPK-VLIAUNLRSA-N 425.510 4.050 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@@H](F)c3ccccc3)CCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 1790184392 NFPVLHAYZAXWTL-FQEVSTJZSA-N 436.443 4.381 5 20 IIBD CCOc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])[nH]4)CCC3)cc2)c1 1790342281 HZFOVESPEKZKLX-UHFFFAOYSA-N 448.479 4.383 5 20 IIBD Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c[nH]1 1801207200 XOUQOMMBHGWEHK-BJWYYQGGSA-N 438.509 4.012 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC2(CCCN(C(=O)Cc3ccccc3)C2)CC1 1809212048 HVXNIQUYMKCXBR-VAWYXSNFSA-N 447.535 4.082 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2CCCC2)[nH]n1 1821283215 LZXIVWSKGKYTCT-GOSISDBHSA-N 443.479 4.262 5 20 IIBD C[C@@H]1C[C@]1(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])n[nH]1 1823503985 XAYMXXDTDOUOPX-YBKYSDTISA-N 437.500 4.070 5 20 IIBD O=C([C@H]1CC=CCC1)N1CCC([C@@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1823680215 VMWJMSMRMMQHHM-GMAHTHKFSA-N 439.556 4.113 5 20 IIBD C/C=C/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 1831365363 WXOSYBBHLDIAPA-SMQCQUJFSA-N 443.519 4.028 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(Br)s3)CC2)c2ccncc12 18898903 WIFZJWQTHPIPSK-UHFFFAOYSA-N 433.331 4.289 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N(C)CC(=O)Nc2ccccc2Cl)CC1 23183578 GVCMWRFYMQSUAV-UHFFFAOYSA-N 444.919 4.195 5 20 IIBD Cc1ccc(OC[C@H](O)COc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c(C)c1 27214515 CSTGOAGQASOUBK-OAQYLSRUSA-N 436.464 4.283 5 20 IIBD COC(=O)c1ccc(OCc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)c([N+](=O)[O-])c1 32328369 MKELWZZKPBNRMD-UHFFFAOYSA-N 441.461 4.102 5 20 IIBD CC(=O)Nc1ccc(C)c(NC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c1 57561956 QVRJEOSAXJAKKI-LJQANCHMSA-N 442.472 4.066 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NCc2cc(F)ccc2Br)c([N+](=O)[O-])c1 64113465 RMCPQLOSVCWMND-UHFFFAOYSA-N 433.237 4.073 5 20 IIBD C[C@H](CCc1ccc(Br)cc1)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 64915588 XHFBUENDODDAFV-GFCCVEGCSA-N 427.320 4.194 5 20 IIBD CCCS(=O)(=O)Nc1ccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 65125107 IKQHPMUZGDCKMY-UHFFFAOYSA-N 446.510 4.122 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@@H]1c1nc2ccccc2s1 98069253 SWEDFQDNIZRYFY-CXAGYDPISA-N 426.498 4.377 5 20 IIBD O=C(NCc1cccnc1Oc1cccc(F)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 107798469 PVMMPBMJFDOTQU-UHFFFAOYSA-N 433.399 4.037 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCc2ccc(N3CCCC3)nc2)cc1[N+](=O)[O-])c1ccccn1 108779912 IAOAFPPUQVPJGH-QGZVFWFLSA-N 446.511 4.088 5 20 IIBD C[C@@H](CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)CN1CCCCC1 109116842 JGOBPMKNMFVZSG-ZWKOTPCHSA-N 425.533 4.015 5 20 IIBD O=C(NC1CCN(CCc2ccccc2)CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 215718291 ACVWRLSAOAUDSG-UHFFFAOYSA-N 436.537 4.155 5 20 IIBD COc1cc(N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn34)C2)c([N+](=O)[O-])cc1F 301642545 ZMAYYSUJYLVAFV-NSHDSACASA-N 439.369 4.188 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N[C@H]1CCO[C@@H](c2ccccc2)C1 302149642 AVLYNSGSULBGEA-PGRDOPGGSA-N 445.541 4.102 5 20 IIBD COc1ccc(CNC(=O)[C@H](Oc2ccc(F)c(F)c2)c2ccccc2)cc1[N+](=O)[O-] 409832447 KFXXGVVTDDNDAC-OAQYLSRUSA-N 428.391 4.318 5 20 IIBD CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccc(Cl)cc1)c1cnccn1 427426244 BACQNCLAJLHSSC-FQEVSTJZSA-N 431.279 4.482 5 20 IIBD COC(=O)[C@@H](NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)c1ccc(F)c(C)c1 428369151 HJSIYOYIJYAUCR-NRFANRHFSA-N 428.416 4.315 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCOc3ccc(F)cc3C2)cc1[N+](=O)[O-])c1ccccn1 428457858 ASNBFDZABIZMLI-HNNXBMFYSA-N 436.443 4.337 5 20 IIBD Cc1cc(CNCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)nc(N2CCCC2)n1 430143432 DYFOUYOKPPXUJX-UHFFFAOYSA-N 432.528 4.351 5 20 IIBD O=C(Nc1ccc(OCC2CCOCC2)cc1)c1cc(Br)cc([N+](=O)[O-])c1 431453390 UIXVIEIFMJHPCL-UHFFFAOYSA-N 435.274 4.415 5 20 IIBD Cc1ccc(-c2ccc(C)c(NC(=O)NCCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)o1 432992284 NXGSYJLVBLFGJV-UHFFFAOYSA-N 443.481 4.067 5 20 IIBD CC[C@](C)(O)CN(Cc1ccccc1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br 440030752 BPVHSPNOILPVDH-FQEVSTJZSA-N 435.318 4.090 5 20 IIBD Cc1cccc(C(=O)NCCNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])c1 440676477 CJAXJCRQTXDGTH-UHFFFAOYSA-N 435.505 4.214 5 20 IIBD COc1ccc(CSCC(=O)N2CCC[C@@H]2CC(=O)c2cccs2)cc1[N+](=O)[O-] 443673675 JLIBCHLODOGCOT-OAHLLOKOSA-N 434.539 4.162 5 20 IIBD C[C@@H](c1nc(CC(=O)Nc2cccc(C(F)(F)F)c2)no1)c1ccc([N+](=O)[O-])cc1F 445186826 GABOPYHNPSYDTF-SNVBAGLBSA-N 438.337 4.469 5 20 IIBD O=C(Nc1cccc(-c2nc(-c3ccc([N+](=O)[O-])s3)no2)c1)[C@H]1Cc2ccccc2O1 445474461 XQXBDLAAMFMHLP-MRXNPFEDSA-N 434.433 4.316 5 20 IIBD COc1cc(Cc2noc(CCC(=O)c3ccc(Cl)cc3)n2)c([N+](=O)[O-])c(OC)c1 445821051 JQAAZFTZMKJOHS-UHFFFAOYSA-N 431.832 4.055 5 20 IIBD CCOC(=O)[C@@H]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc21 446249533 RZKRGUHHRJRYQV-MRXNPFEDSA-N 432.860 4.101 5 20 IIBD O=C(N[C@H](CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1)c1ccccc1 446431094 IMWGGGRGUBFYDW-HSZRJFAPSA-N 429.476 4.041 5 20 IIBD CCc1nc2ccccc2n1Cc1noc(-c2ccc([N+](=O)[O-])cc2Br)n1 460738573 UNBXUFZHFSQASR-UHFFFAOYSA-N 428.246 4.368 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(c1nnc(CC3CCCC3)n1C[C@@H]1CCCCO1)CC2 461822209 ZUOWLZKLUJCSPA-NRFANRHFSA-N 425.533 4.051 5 20 IIBD CS[C@@H]1CCCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCCO2)C1 461833723 PEYAZDQHIYLLRF-RTBURBONSA-N 431.562 4.144 5 20 IIBD COCCN([C@@H](C)c1ccccc1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 462261952 YDVQMVSSTDOPLD-LBPRGKRZSA-N 433.313 4.300 5 20 IIBD C[C@H]1C[C@H](c2cccc(F)c2)N(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 462729402 PMGOPJOKGFTFJO-APPDUMDISA-N 443.294 4.268 5 20 IIBD O=C1[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)CCCN1c1ccc(OC(F)F)cc1 462906878 OUNMNLSDOWANFL-CQSZACIVSA-N 443.353 4.405 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 465036357 XTIIMQFYWFZLBC-QHCPKHFHSA-N 438.867 4.468 5 20 IIBD CCOc1cc(NC(=O)N[C@H]2C[C@]2(C)c2ccccc2OC)c([N+](=O)[O-])cc1OCC 466048491 IDMKPPKBUXKRCS-RBBKRZOGSA-N 429.473 4.253 5 20 IIBD C[C@H](C[S@](C)=O)N(C)C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 468292345 SRLWLJOVNJJWHV-ZNNHIBJESA-N 449.579 4.195 5 20 IIBD Cc1cc(NC(=O)c2nn(-c3c(F)cccc3F)cc2C)n(-c2ccc([N+](=O)[O-])cc2)n1 469068142 VJVZLTZVZFAJDU-UHFFFAOYSA-N 438.394 4.114 5 20 IIBD NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 471408998 JFFOXSUFRYVXSF-PEELUZDISA-N 445.928 4.125 5 20 IIBD COc1cc(C(=O)Nc2cc(CCC(C)C)[nH]n2)c([N+](=O)[O-])cc1OCc1cscn1 471411342 ANWZFZYSSVRCPK-UHFFFAOYSA-N 445.501 4.203 5 20 IIBD Cc1cc(-c2noc([C@@H](C)NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)n2)ccc1F 472372496 XSVCCPXNAYRLCG-CQSZACIVSA-N 427.436 4.162 5 20 IIBD COc1ccc(-c2ccc(CNC(=O)c3cc(OC)c(OC)c([N+](=O)[O-])c3)s2)cc1 473488254 FGTSURUNOZDVKF-UHFFFAOYSA-N 428.466 4.279 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 475636108 FWYKYMHTSRRWDU-PMACEKPBSA-N 432.908 4.058 5 20 IIBD CCOc1cc(OCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)ccc1[N+](=O)[O-] 478723286 XARRFQDMQYBGQM-KRWDZBQOSA-N 441.465 4.405 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 479626533 YBWOKHXJKKRDGE-GXFFZTMASA-N 430.452 4.328 5 20 IIBD C[C@H](NCc1ccccc1S(=O)(=O)N(C)C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 480310286 NXHQINMFCGUSNK-HNNXBMFYSA-N 445.566 4.424 5 20 IIBD CC[C@H](NCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 481312956 XIVRBELGHXFXRQ-JTSKRJEESA-N 431.558 4.256 5 20 IIBD O=C(Nc1ccccc1CN1CCSCC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 483028423 PEHDEUWMPUVPEZ-UHFFFAOYSA-N 426.542 4.340 5 20 IIBD COc1ccc(CCCC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(OC)c1 486703622 XUSQZEXHWQDHLV-UHFFFAOYSA-N 426.391 4.270 5 20 IIBD C[C@H]1CN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C[C@@H](c2cccc(C(F)(F)F)c2)O1 488713622 MLCSKAUXOHHXGV-RBZFPXEDSA-N 449.429 4.472 5 20 IIBD Cc1cc(=O)c(C(=O)N[C@H](c2ccccc2)C2CCCC2)nn1-c1ccccc1[N+](=O)[O-] 489392905 QFULQUDRQUENIV-JOCHJYFZSA-N 432.480 4.110 5 20 IIBD COc1ccccc1-c1noc([C@@H](C)NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 489483572 SNTFXTDFWXUPNQ-ZIAGYGMSSA-N 425.445 4.083 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c(C)c([N+](=O)[O-])c1 489777014 WLUYPDANXKGJKA-UHFFFAOYSA-N 437.456 4.145 5 20 IIBD CC(C)CCn1ncc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c1C(C)C 490469841 LCLKVNSZTIPYCB-UHFFFAOYSA-N 443.504 4.288 5 20 IIBD C[C@@H](c1nc(-c2cccs2)no1)N1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 493000930 BOESDACQVKBIIR-ZDUSSCGKSA-N 433.921 4.239 5 20 IIBD CC(C)COC[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccco1 494905509 UVUCVZSKVAABKT-INIZCTEOSA-N 429.395 4.420 5 20 IIBD NC(=O)c1ccc(CN[C@@H](CC2CC2)c2cc(F)cc(Br)c2)c([N+](=O)[O-])c1 495257530 WUOXRKUNOGKBJZ-KRWDZBQOSA-N 436.281 4.226 5 20 IIBD Cn1c(SCCCCN2C(=O)c3ccccc3C2=O)nc2cc3ccccc3cc2c1=O 495394113 AQQNQRRJSWQXAX-UHFFFAOYSA-N 443.528 4.255 5 20 IIBD CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)cc1 496511231 BDXNQAGZEHRGKZ-DEOSSOPVSA-N 435.528 4.394 5 20 IIBD CCOc1ccc(C(=O)Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)cc1[N+](=O)[O-] 501744526 HQYPCDSOMOOYFW-UHFFFAOYSA-N 445.475 4.378 5 20 IIBD COc1cccc([C@@H](C)N2CCN(c3cc(C)nc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)c1 505604922 CJCOIWXYCHRPAT-GOSISDBHSA-N 433.512 4.252 5 20 IIBD COc1ccc(-c2nc(C)c([C@H](C)NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C)s2)cc1 506252965 GNNMLMZPIUTZFH-AWEZNQCLSA-N 447.538 4.383 5 20 IIBD CC(C)c1[nH]nc(C(=O)NCC2(c3ccc(Br)cc3Cl)CC2)c1[N+](=O)[O-] 507113332 VZUYJYKVJOKJOR-UHFFFAOYSA-N 441.713 4.319 5 20 IIBD Cc1c(Br)cc(C(=O)N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)cc1[N+](=O)[O-] 510498096 XYVHPUWLSCWQGI-QDXKXIGTSA-N 439.331 4.236 5 20 IIBD COc1cccc(OC(F)(F)F)c1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 510788971 WRTIXWSIRJFBRI-UHFFFAOYSA-N 439.390 4.376 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)N(Cc2c(Cl)cccc2Cl)C2CC2)cc1[N+](=O)[O-] 513218571 KCOLZXAZYPDCRS-UHFFFAOYSA-N 443.308 4.110 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H](CCO)c1ccccc1Br 513426866 MRLCUCXNTGXLCL-AWEZNQCLSA-N 428.670 4.256 5 20 IIBD O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1csc2ccccc12 514740319 MQNKCEKKBHHLAU-UHFFFAOYSA-N 445.503 4.351 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(COc2cccc(F)c2)c1 515692333 UBYPVZQYMJZIBL-UHFFFAOYSA-N 432.429 4.122 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2c(C)cnn2[C@H]2CCCc3ccccc32)c([N+](=O)[O-])c1 516201357 FSLYYBONMMLDIN-SFHVURJKSA-N 426.498 4.135 5 20 IIBD CC(C)C[C@@H](CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)N[C@H](C)c1ccccc1 517713985 JZLAAVBYXPFTNG-NQIIRXRSSA-N 449.555 4.491 5 20 IIBD COc1cc([C@@H](C)NC(=O)NCc2ccccc2[N+](=O)[O-])ccc1OCc1ccncc1 518354719 MSFBSFPTJGLZPP-MRXNPFEDSA-N 436.468 4.138 5 20 IIBD Cc1cc(C)c(-c2csc(NC(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)n2)c(C)c1 518649299 BKAJXDGTSFTEKT-UHFFFAOYSA-N 445.522 4.299 5 20 IIBD COc1cc(C)ccc1Oc1ccc(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cn1 520113026 PTFNKPSBAQSDHV-UHFFFAOYSA-N 433.417 4.039 5 20 IIBD COc1cc([C@H](C)NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)ccc1OCC(C)C 521389644 QGDPKYPFVPUPTC-INIZCTEOSA-N 438.484 4.315 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 522244497 CEWYHGHNBLGCTC-UHFFFAOYSA-N 425.828 4.295 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1C[C@@H]1c1c(F)cccc1F 522546359 JPJADCBFTPQUJZ-NWDGAFQWSA-N 429.345 4.224 5 20 IIBD O=C(Nc1ccn(CCc2ccncc2)n1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 523357921 PEVCCWXCMCUBJD-UHFFFAOYSA-N 428.452 4.425 5 20 IIBD CCOc1ccccc1[C@@H](CC(C)C)NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 530819957 IOSWTXJMRDPFGG-HXUWFJFHSA-N 441.532 4.008 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(=O)n(-c2cccc(F)c2)c1 531433966 BKFADYYKDJMENO-UHFFFAOYSA-N 436.424 4.261 5 20 IIBD CN(Cc1nnc2n1CCCCC2)C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 532262074 BUVFFXNDYJQFHK-UHFFFAOYSA-N 437.525 4.336 5 20 IIBD COc1ccc(-c2nsc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)n2)cc1 532897511 HAOFYWVFAXBZJP-UHFFFAOYSA-N 435.259 4.137 5 20 IIBD COc1cc(CCNC(=O)Nc2cc(-c3ccccc3)cnc2C)c([N+](=O)[O-])cc1OC 535537515 HLAVAXPOYDQZRH-UHFFFAOYSA-N 436.468 4.347 5 20 IIBD COc1cc(CN[C@@H]2CN(C)Cc3ccccc32)c([N+](=O)[O-])cc1OCc1ccccc1 536023803 YWKAZFYOKPEQSJ-JOCHJYFZSA-N 433.508 4.459 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccnc(OCC(F)(F)C(F)F)c2)cc1SC 537316410 ZDCPSPYFVHPNHR-UHFFFAOYSA-N 449.382 4.252 5 20 IIBD CCOC(=O)c1nc(CC)oc1NC(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 537900964 FNJSOZGWOFIYFT-OKILXGFUSA-N 444.488 4.057 5 20 IIBD CC(=O)Nc1ccc(NC(=O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C(F)(F)F)c1 539379321 NEVXMWDLCBRDGF-LBPRGKRZSA-N 438.406 4.170 5 20 IIBD CC(C)Sc1ccc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)cc1 539541484 MHJXJUPTNYPFGU-INIZCTEOSA-N 429.542 4.423 5 20 IIBD COc1ccc(OC2CCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 541284365 FSHFWBAKDLQPOU-UHFFFAOYSA-N 436.917 4.419 5 20 IIBD COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 541331556 QHDZBXLQXLQOCG-LADGPHEKSA-N 431.492 4.433 5 20 IIBD CC[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1nc(C(F)(F)F)cs1 541632737 MNWFBGGPBSEJIH-LLVKDONJSA-N 432.424 4.148 5 20 IIBD Cc1ccc2nc([C@H]3CCCN(S(=O)(=O)c4c(Cl)cccc4[N+](=O)[O-])C3)[nH]c2c1 541914066 ILRVBXVZPYXUHM-ZDUSSCGKSA-N 434.905 4.001 5 20 IIBD C[C@@H](C(=O)N1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1)c1ccc([N+](=O)[O-])cc1F 542553210 PNBRKUKXZVUAOA-GDBMZVCRSA-N 439.443 4.005 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCC[C@@H](C)N2CCCCC2)cc1[N+](=O)[O-])c1ccccn1 543386395 SETCUHCOXAZCLO-QZTJIDSGSA-N 425.533 4.157 5 20 IIBD CC(C)(C(=O)Nc1ccc(Cc2nnc3ccccn23)cc1)c1ccc([N+](=O)[O-])cc1F 545122893 KHUVLVNKUFEBTA-UHFFFAOYSA-N 433.443 4.284 5 20 IIBD COc1cc(/C=C/c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)cc2c1OCCO2 545851008 UWRSUXJJALFDBT-GORDUTHDSA-N 434.408 4.000 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N(CCOC)Cc2cc(Br)cs2)c1 548996959 JGDFHZKKARMPHJ-UHFFFAOYSA-N 443.319 4.106 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)Cc1nccn1Cc1ccccc1 550651692 MJTXPDKDQZJLDS-UHFFFAOYSA-N 443.301 4.183 5 20 IIBD COc1cccc(CN(C)C(=O)COc2ccc(-c3ccccc3)cc2[N+](=O)[O-])c1OC 551426065 WBMJDZNSXPVFEN-UHFFFAOYSA-N 436.464 4.316 5 20 IIBD Cn1nccc1[C@H]1CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2Cc2ccccc2)C1 555177379 FUEGQJAYKQSOOK-FQEVSTJZSA-N 443.511 4.019 5 20 IIBD Cc1c(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cccc1NC(=O)N(C)C 556439565 YVKHSHUUDLUALL-UHFFFAOYSA-N 435.278 4.320 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 561275710 PNLFPPSPPLRFQU-NRFANRHFSA-N 444.329 4.096 5 20 IIBD COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3O)C2)n1 562578754 JVMRULWYCYVIHU-CQSZACIVSA-N 439.493 4.452 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N[C@H]2CCc3sc(Cl)cc32)cc1[N+](=O)[O-] 564513300 KFDZPDBMMJTNJQ-NSHDSACASA-N 435.918 4.007 5 20 IIBD CSc1ccc([C@@H](CN[C@@H](c2ccc([N+](=O)[O-])cc2)c2nccn2C)N(C)C)cc1 567395990 NIVJVKMJDBHMPK-RTWAWAEBSA-N 425.558 4.032 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1c2ccccc2CC12CCOCC2 569417481 NVFUYJCNLBYNJW-HXUWFJFHSA-N 429.904 4.184 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1c2cccc(Br)c2CC1(C)C 572385239 CFYQEENOLVBGTC-QGZVFWFLSA-N 446.301 4.044 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCOC4(CCCC4)C3)n2CCc2ccccc2)c1 575140906 ACYOETUYDFNHEH-UHFFFAOYSA-N 433.512 4.245 5 20 IIBD C[C@@H](NC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc(OCc2cccnc2)cc1 581982510 RCAKIWPCXQBVHM-OAHLLOKOSA-N 446.467 4.006 5 20 IIBD O=C(NC[C@]1(CO)C[C@@H]1c1ccccc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 582817262 GXNSTFQYVQRTHU-RDGATRHJSA-N 432.476 4.070 5 20 IIBD O=C(NCc1ccc(COc2ccccc2)cc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 603891707 JPXURZDILXJSLV-UHFFFAOYSA-N 428.448 4.290 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1ccc(Cn2cnc3ccccc32)cc1 604508699 KEEFCQHQHXSZAC-UHFFFAOYSA-N 429.480 4.334 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCc2cccc(CN3CCC(C)CC3)c2)cc1OC 604563652 HCCWZHOTWUFTCH-UHFFFAOYSA-N 441.528 4.164 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCCC[C@@H]1c1noc(C2CC2)n1 606229332 SYYSGRKFOXJTED-OAQYLSRUSA-N 428.492 4.169 5 20 IIBD Cn1cc(CCCNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)cn1 608850511 WZHLYGYJTZFQDV-UHFFFAOYSA-N 430.917 4.496 5 20 IIBD O=C(Nc1ccc(F)cc1)[C@H]1CCc2ccccc2N1C(=O)c1csc([N+](=O)[O-])c1 608872772 QFUUNYDMOFNFIT-GOSISDBHSA-N 425.441 4.396 5 20 IIBD CNc1ccc(C(=O)N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)cc1[N+](=O)[O-] 609130338 VLWNAIRLKKOVRO-UHFFFAOYSA-N 435.480 4.496 5 20 IIBD CCc1cccc(Cc2cnc(NC(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)s2)c1 609441816 GACAGKABYZIMAT-UHFFFAOYSA-N 434.481 4.038 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1F 609453830 GBYJULDBZPFZEX-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD Cc1c(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)cnn1-c1cccc(Br)c1 609859407 IYUZBRQRQYKXAQ-UHFFFAOYSA-N 441.285 4.444 5 20 IIBD Cc1nn(C)cc1[C@H]1CCCN1C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 610729400 MGRAVFVBKONIOI-IIBYNOLFSA-N 434.500 4.182 5 20 IIBD COC(=O)C(C)(C)[C@H]1CCCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 618858211 MESKBAKENWLEBR-SFHVURJKSA-N 440.496 4.225 5 20 IIBD Cc1nc([N+](=O)[O-])c(Br)n1Cc1cc(Br)ccc1OC(F)F 726431053 LAGYJQHRKPKWRT-UHFFFAOYSA-N 441.026 4.274 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 727382747 NXNQYTRQMRLRPF-KDOFPFPSSA-N 432.521 4.077 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N2CCC[C@H]2C2CCC2)cc1 728191749 PRAXVXNZPWYYTJ-FQEVSTJZSA-N 444.509 4.076 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)c([N+](=O)[O-])c1 728510835 NARFGNFQRASTOQ-UHFFFAOYSA-N 435.364 4.249 5 20 IIBD COc1ccc(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1OC1CCCC1 728591913 QBPSKQFJEGBSGZ-UHFFFAOYSA-N 440.905 4.057 5 20 IIBD Nc1cc(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])ccc1Oc1ccccc1 728636307 WVJZMRLUPQGZOW-UHFFFAOYSA-N 441.827 4.418 5 20 IIBD CN(C[C@@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1)C(=O)OC(C)(C)C 729395549 LOZOTFICQJXJFG-AWEZNQCLSA-N 446.529 4.047 5 20 IIBD C[C@H](OC(=O)c1cnc(C2CC2)s1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 729772964 XMARJUDYWCNSEZ-JTQLQIEISA-N 444.494 4.236 5 20 IIBD CC(C)COc1ccc(C(C)(C)C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 730875188 CIWKYTRGTBSWDT-UHFFFAOYSA-N 432.448 4.228 5 20 IIBD O=C(O[C@H]1CCCN(C(=O)c2ccccc2Cl)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 732610224 PHADZFJOYHPLTI-AWEZNQCLSA-N 427.844 4.191 5 20 IIBD CC1=C(C(=O)OC(C)C)[C@H](c2csc(-c3cccc([N+](=O)[O-])c3)n2)NC(=O)N1C1CC1 733121053 IYFGACFTEQDQNN-SFHVURJKSA-N 442.497 4.173 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)c1C 733250808 LHGXFCATMHHKPL-UHFFFAOYSA-N 434.861 4.248 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2cccc(CSc3ccccn3)c2)cc([N+](=O)[O-])c1 733469344 YMIPQWCVLCWBCM-UHFFFAOYSA-N 437.477 4.386 5 20 IIBD Cc1ccc(OC(F)F)c([C@@H](C)OC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 734737407 LFTUDQXMBDTKCL-LLVKDONJSA-N 440.424 4.000 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)cc1SC 740939776 AXMFZVNMPUNBLA-CYBMUJFWSA-N 431.297 4.096 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 741933890 BLRUNHUTFKOOQA-XLIONFOSSA-N 449.891 4.225 5 20 IIBD O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCCOc1ncc(C(F)(F)F)cc1Cl 742411642 GCGJIUZQGIZRJL-UHFFFAOYSA-N 444.797 4.045 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 742418651 TVBZLASJCOUADZ-APWZRJJASA-N 446.548 4.326 5 20 IIBD Cc1c(C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 742847711 XHOUKARKNKFJGW-UHFFFAOYSA-N 433.833 4.159 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)C2(NC(=O)OC(C)(C)C)CCCCC2)cccc1[N+](=O)[O-] 744889167 HRFAMHGZHNUPLD-HNNXBMFYSA-N 449.504 4.001 5 20 IIBD CCN(CC1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1)C(=O)OC(C)(C)C 745647168 NBWKIGWOHYQUCH-MRXNPFEDSA-N 434.537 4.334 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3c(C)noc3C(F)F)CC2)ccc1[N+](=O)[O-] 747122945 BZPUYDQAASXRIZ-UHFFFAOYSA-N 425.388 4.053 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 747419856 LCSWRNJCHBAGLN-ZIAGYGMSSA-N 434.876 4.099 5 20 IIBD Cc1nc(C)c(C(=O)O[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)o1 748207261 LXXKUBUMLXSHNP-SFHVURJKSA-N 429.816 4.390 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1C[C@@H]1c1ccc(Br)cc1 748903292 NFROXZUKOYCBLY-CVEARBPZSA-N 444.241 4.254 5 20 IIBD Cc1c(C(=O)O[C@@H](C)C(=O)Nc2cccc3ccccc23)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748945792 AHNDYIAQIJMKOY-AWEZNQCLSA-N 437.408 4.457 5 20 IIBD CN(C[C@@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C 752011645 HSYMEWIUSCIIGK-ZDUSSCGKSA-N 443.953 4.056 5 20 IIBD CC(=O)N(c1ccccc1)c1nc(COC(=O)c2c(F)ccc([N+](=O)[O-])c2F)cs1 752559216 MKFJMBHYALNYBD-UHFFFAOYSA-N 433.392 4.371 5 20 IIBD Cn1nc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1C1CC1 753088096 MRDBEZBJXNAVMD-UHFFFAOYSA-N 439.859 4.364 5 20 IIBD O=C(Nc1ccc(Cl)cn1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 753383900 UFWGSIBPLKLFKN-UHFFFAOYSA-N 429.786 4.016 5 20 IIBD Cc1c(Br)cc(C(=O)O[C@@H](C)c2nc(-c3cccnc3)no2)cc1[N+](=O)[O-] 753433368 QYQGNJVNUMBUES-JTQLQIEISA-N 433.218 4.029 5 20 IIBD CCN(Cc1ccccc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C(C)=O 754981113 NSUOPTUDMDXTBU-UHFFFAOYSA-N 438.253 4.117 5 20 IIBD CN(Cc1cc(Br)ccc1Cl)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O 755049751 XAASQDXKJUEMSF-UHFFFAOYSA-N 433.711 4.051 5 20 IIBD COC(=O)c1cccc(-c2nc(COC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)cs2)c1 755069466 VAJNFNXYOQHAHO-GFCCVEGCSA-N 444.440 4.491 5 20 IIBD C[C@@H](OC(=O)CCc1cn(C)c2ccccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 756665091 IGHZYQJIMQIGCL-CYBMUJFWSA-N 429.860 4.243 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 756772436 IEECZLVFMUMQRO-LLVKDONJSA-N 431.832 4.231 5 20 IIBD O=C(Nc1cnc(Br)c(Br)c1)c1cc([N+](=O)[O-])ccc1Cl 757830698 IYDQCTWHBCAFHK-UHFFFAOYSA-N 435.459 4.421 5 20 IIBD O=C(NC1(c2c(Cl)cccc2Cl)CC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 760153237 YDQFURNKGKEXOZ-UHFFFAOYSA-N 436.295 4.157 5 20 IIBD COc1ccc(CSCC(=O)O[C@H](c2c(C)nn(C)c2C)C(F)(F)F)cc1[N+](=O)[O-] 760766910 UFWWMYLQKAXNPY-QGZVFWFLSA-N 447.435 4.034 5 20 IIBD CC(C)NC(=O)Nc1ccccc1C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 763158725 PPTGOTMKJMCFJV-CYBMUJFWSA-N 439.428 4.093 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc(C(F)(F)F)nc2Cl)cccc1[N+](=O)[O-] 766126952 RBXJWYQQGUMIFQ-SECBINFHSA-N 431.754 4.154 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)c1ccc(OS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 767598491 QWLWALXOGLZRAN-LBPRGKRZSA-N 440.449 4.087 5 20 IIBD CC(=O)[C@@H](Cc1ccc(Cl)cc1F)OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 768369578 QGRFRRYTJZZPLM-OAQYLSRUSA-N 448.878 4.347 5 20 IIBD CC(=O)[C@@H](Cc1ccc(F)c(F)c1F)OC(=O)c1cc([N+](=O)[O-])ccc1Br 768674407 UPPWFAIYUZCGKO-CQSZACIVSA-N 446.175 4.132 5 20 IIBD COc1cc(/C=C(\C)c2cnccn2)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 774135790 SDZBIPNCUQHZLP-XNTDXEJSSA-N 441.465 4.030 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@H]1NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 775179651 OKQKTMWJKZROLT-GPMSIDNRSA-N 429.521 4.129 5 20 IIBD CSc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Br)cc2)c1[N+](=O)[O-] 777079135 LEXKUHMTRQHOSR-JTQLQIEISA-N 439.287 4.263 5 20 IIBD COc1ccc(C2(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)CCCC2)cc1OC 777217454 ZGSXBDXBPHUJSR-UHFFFAOYSA-N 443.452 4.034 5 20 IIBD COc1ccc2[nH]cc(C3CCN(S(=O)(=O)c4cc([N+](=O)[O-])c(F)cc4C)CC3)c2c1 777974944 BYJNFGFFSNFOKH-UHFFFAOYSA-N 447.488 4.101 5 20 IIBD COc1ccc(-c2ncc(C(=O)O[C@H]3CCN(c4ccc([N+](=O)[O-])cc4)C3)s2)cc1 778789147 PWYBHAPZIRLCSV-SFHVURJKSA-N 425.466 4.163 5 20 IIBD CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 781260197 SPOLUBDLVNUOCR-HNNXBMFYSA-N 428.444 4.068 5 20 IIBD COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34 781448240 JVYYFFPFBUFEFZ-GJZUVCINSA-N 443.499 4.072 5 20 IIBD CC(C)CCN1Cc2cccc(NC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C1 781629930 DSRPIVYXFRUEDH-UHFFFAOYSA-N 426.473 4.436 5 20 IIBD Cc1cccc(C(C)C)c1NC(=O)[C@H](C)OC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781739500 JZJSEFYPOPNASV-HNNXBMFYSA-N 443.456 4.438 5 20 IIBD CC(C)C[C@H](CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N[C@@H](C)c1ccccc1 783323221 JEZVFRKUURSIQE-DOTOQJQBSA-N 446.935 4.068 5 20 IIBD COC(=O)Nc1ccc(NCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])cc1F 783603218 NAYIETVRXQZFRJ-UHFFFAOYSA-N 429.351 4.177 5 20 IIBD O=C1[C@H](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CCCN1Cc1ccccn1 784181096 KORWTSNLMCFFJY-CQSZACIVSA-N 428.798 4.265 5 20 IIBD COc1ccc(NC(=O)CCN2CC[C@H](c3cccc(C(F)(F)F)c3)C2)c([N+](=O)[O-])c1 784483533 QAEYOUYHSWGLSS-HNNXBMFYSA-N 437.418 4.440 5 20 IIBD CNC(=O)c1ccc(N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)c([N+](=O)[O-])c1 784642068 DFFVIWDELFBKTP-UHFFFAOYSA-N 431.492 4.109 5 20 IIBD O=C(NS(=O)(=O)Cc1cccc(F)c1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 785248663 CISXVPAGNBJXAZ-UHFFFAOYSA-N 446.481 4.145 5 20 IIBD COc1ccccc1N(CC[C@@H]1CCCO1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 786731889 HDKZPYVHTGOIME-HNNXBMFYSA-N 440.905 4.021 5 20 IIBD CCOc1cc(C(=O)O[C@@H](C)C(=O)c2ccccc2C(F)(F)F)c([N+](=O)[O-])cc1OC 789004702 VNMDHYYQXJBITO-NSHDSACASA-N 441.358 4.449 5 20 IIBD O=C(COC(=O)Cc1cccc(C(F)F)c1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 790712454 URTSCZYMNUNWFJ-UHFFFAOYSA-N 432.301 4.276 5 20 IIBD CC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1 792474459 UYOUPXIMFZDILO-NSHDSACASA-N 449.257 4.052 5 20 IIBD CC(C)(C)OC(=O)NCCC[C@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)c1ccccc1 794277029 ZZIPADYRTBIAQW-SFHVURJKSA-N 446.479 4.092 5 20 IIBD O=C(O[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] 799553032 GYUOFUCWPNUMPT-CQSZACIVSA-N 440.399 4.066 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c23)C[C@H]1c1ccccc1 799986270 GGRBCBHUPVWRDR-FUHWJXTLSA-N 435.484 4.035 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](O)c1cccc(Br)c1 800587942 IGXDWUSAZFXEFY-INIZCTEOSA-N 439.331 4.321 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl 800596090 QOIZTIPOHIZGIH-MRVPVSSYSA-N 432.210 4.304 5 20 IIBD O=C(OCc1cccc(Br)n1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 805985727 HOADIEODNUHNMG-UHFFFAOYSA-N 435.152 4.050 5 20 IIBD Cc1nc(-c2ccc(OS(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)cc2)no1 809388327 PLZGRAKDWKIQOC-UHFFFAOYSA-N 430.225 4.028 5 20 IIBD COc1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1ccc([N+](=O)[O-])c(Cl)c1 809680207 QUCMQSRHPRELIA-UHFFFAOYSA-N 439.921 4.044 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C(C)(C)C1 809920434 ZCSQDKACRKEOSM-CQSZACIVSA-N 426.901 4.405 5 20 IIBD Cc1ccc(NC(=O)N2CCC([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1[N+](=O)[O-] 810142103 SXXCZCJPQQBDMZ-QGZVFWFLSA-N 432.521 4.404 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)cc1[N+](=O)[O-] 812561307 JVWNCDDISQUEFO-UHFFFAOYSA-N 441.513 4.079 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)c(C(=O)NCC(F)(F)F)cc1F 813288485 CMLATBJORSYRIL-UHFFFAOYSA-N 431.317 4.034 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 813654665 UTONHMIALGXUPC-IBGZPJMESA-N 446.548 4.006 5 20 IIBD CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[C@H]1NC(=O)OC(C)(C)C 815875596 BZWOZWFGIRSNBY-MLGOLLRUSA-N 445.438 4.379 5 20 IIBD COC(=O)c1c(F)ccc(Cl)c1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 821665229 BGUDOYMHCAYHBE-UHFFFAOYSA-N 435.839 4.029 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccnn2Cc2cccc3ccccc23)cc1[N+](=O)[O-] 916061042 FHISJIQJIAHIKJ-UHFFFAOYSA-N 431.408 4.462 5 20 IIBD Cn1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)ccc1=O 918662338 SABWHDSPVTYKMJ-UHFFFAOYSA-N 446.507 4.005 5 20 IIBD Cc1sc2nc([C@H](C)OC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)nc(O)c2c1C 919226336 GBPYKJVBOJUGCH-VIFPVBQESA-N 432.414 4.057 5 20 IIBD COc1ccc([C@@H]2CCCCCN2C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2F)cc1 919251319 YSJBHPMTHRLQNZ-FQEVSTJZSA-N 430.432 4.043 5 20 IIBD COc1ccc(C[C@H]2CCCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3N)C2)cc1 1117795469 MYPKXIXXOCQGRQ-CQSZACIVSA-N 448.317 4.043 5 20 IIBD CC(C)n1ncc2c1[C@@H](Nc1ccc(S(=O)(=O)N3CCCCC3)cc1[N+](=O)[O-])CCC2 1320533548 VKXFEDVYXRPXHJ-IBGZPJMESA-N 447.561 4.036 5 20 IIBD COc1cc(CN2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)c([N+](=O)[O-])cc1OC(F)F 1321426394 HHROQEKNLQKNEO-FQEVSTJZSA-N 447.438 4.153 5 20 IIBD C[C@H]1CCc2sc(-c3nnc(-c4cccc([N+](=O)[O-])c4N4CCOCC4)o3)cc2C1 1327885218 PGSQDKBRSBEACC-ZDUSSCGKSA-N 426.498 4.335 5 20 IIBD O=C1C[C@H](c2nnc(COc3ccccc3[N+](=O)[O-])o2)CN1c1cc(Cl)cc(Cl)c1 1330052151 UDQXYIULZGLVGK-NSHDSACASA-N 449.250 4.384 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1ccc(C2(NC(=O)C3(F)CCC3)CCC2)cc1 1791183503 DKFDYWMRZCYETC-UHFFFAOYSA-N 443.450 4.303 5 20 IIBD COc1cc(C(=O)Nc2ccc(C3(NC(=O)C45CC(C4)C5)CCC3)cc2)ccc1[N+](=O)[O-] 1792166072 ZUWGBQCVTXKIBK-UHFFFAOYSA-N 435.480 4.151 5 20 IIBD C[C@]1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4cc([N+](=O)[O-])ccc4s2)C3)CC1(F)F 1804153007 SZSGVNQUXJCRQQ-MWBIGIAMSA-N 449.479 4.107 5 20 IIBD Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3cccc([N+](=O)[O-])c3)[nH]n2)cc1 1820594090 LGWCTJKFPPPWAW-NRFANRHFSA-N 447.495 4.175 5 20 IIBD C/C=C/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1831364321 JUTQDKOAUOOEMH-MESDEOKJSA-N 429.492 4.100 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC2(CCCN2C(=O)C2(F)CCCCC2)C1 1843885522 VZGMXEKZMJRPSQ-UHFFFAOYSA-N 445.516 4.299 5 20 IIBD COCCn1c(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nc2ccccc21 9073823 GPQWSINJORCXGW-GFCCVEGCSA-N 434.905 4.364 5 20 IIBD COc1cc(CCNC(=O)NC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])cc1OC 9959921 XBDNPPLHAVGHOX-UHFFFAOYSA-N 435.480 4.243 5 20 IIBD C[C@@H](OC(=O)CCc1ccccc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 10622824 UECVCOKMLKVHKX-CQSZACIVSA-N 425.466 4.221 5 20 IIBD CCNc1ccc(C(=O)Nc2ccc(C)c(I)c2)cc1[N+](=O)[O-] 15984172 JUHRGQSCZPTVCS-UHFFFAOYSA-N 425.226 4.192 5 20 IIBD CC(=O)c1ccc(Sc2nnc(CN3CCCC3)n2Cc2ccccc2)c([N+](=O)[O-])c1 29000586 HSHLHKSRVRAIBB-UHFFFAOYSA-N 437.525 4.184 5 20 IIBD CC1CCN(c2ccc(C(=O)NCc3cccc(Cn4ccnc4)c3)cc2[N+](=O)[O-])CC1 29668451 IEJYHMSSVIOMOK-UHFFFAOYSA-N 433.512 4.006 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 32479525 ZBBYRGUWMKLVDS-RMKNXTFCSA-N 446.459 4.491 5 20 IIBD COc1cc(C(=O)N2CCc3ccc(Cl)cc32)c([N+](=O)[O-])cc1OCc1cscn1 58725163 QZGWVQBFLQNUJS-UHFFFAOYSA-N 445.884 4.495 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccc3c(c2)OCO3)cc1 61554633 WIFPKDUVBXWKRL-UHFFFAOYSA-N 428.448 4.466 5 20 IIBD COc1cc([C@@H](C)NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc(OC)c1OC 64917168 ZUJVOKNHWPTOGN-GFCCVEGCSA-N 443.481 4.235 5 20 IIBD CC(C)N(C)S(=O)(=O)c1ccc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 236687967 SQPZACILZCHZKL-UHFFFAOYSA-N 443.525 4.174 5 20 IIBD Cc1c(C(=O)Nc2cccc(-n3ncc(C(=O)O)c3C(F)(F)F)c2)cccc1[N+](=O)[O-] 237795723 BDAHFSJLANXOQW-UHFFFAOYSA-N 434.330 4.058 5 20 IIBD O=c1c(Cl)c(NCCCc2nc3c(s2)CCCC3)cnn1-c1ccc([N+](=O)[O-])cc1 301140648 FJTVCFFCFUPUPV-UHFFFAOYSA-N 445.932 4.174 5 20 IIBD CN(CC(=O)Nc1ccccc1Br)c1ccc([N+](=O)[O-])cc1C(F)(F)F 301511411 DFTBRGIZLQWOPQ-UHFFFAOYSA-N 432.196 4.451 5 20 IIBD COc1cc(NC2CCN(c3ccc([N+](=O)[O-])cc3Br)CC2)cc(OC)c1 301543762 KMUDRVQPIOIBKD-UHFFFAOYSA-N 436.306 4.455 5 20 IIBD Cc1nc(N2CCC[C@@H]2c2nc(Cc3ccc(Br)cc3)no2)ccc1[N+](=O)[O-] 301656174 LCLAVUMDFIGPGK-MRXNPFEDSA-N 444.289 4.376 5 20 IIBD O=C(c1cc(N2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)ccc1[N+](=O)[O-])N1CCCC1 301725389 UQRRRUYYGINOEO-ZJSXRUAMSA-N 448.567 4.322 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@@H](c1cccc(F)c1)c1ccccn1 301902193 WEDDTLNYLADUJG-SFHVURJKSA-N 437.399 4.327 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)CC1 303807897 HYFFOCVDSGVKLM-UHFFFAOYSA-N 441.915 4.045 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Nc1ccc(Br)c(C(F)(F)F)c1 327976328 XURMHUSUJZYIDB-UHFFFAOYSA-N 443.172 4.316 5 20 IIBD COC[C@@H](C)n1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)n1 426375840 AXPPKVSQHQZHIH-CYBMUJFWSA-N 446.916 5.056 5 20 IIBD Cc1cc(C)n(C[C@@H](NCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C(=O)O)n1 426718123 ABHAUQLXQLXSHZ-GOSISDBHSA-N 444.875 4.097 5 20 IIBD C[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 426989394 BJENFQCOEIJBSU-HNNXBMFYSA-N 445.928 4.131 5 20 IIBD C[C@H](c1ccc(Br)cc1)[S@](=O)CCC(=O)Nc1ccccc1[N+](=O)[O-] 427186394 RQKOYPFCQCCOHJ-XELLLNAOSA-N 425.304 4.196 5 20 IIBD CN(Cc1ccc(Br)s1)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 427916710 QULBQJRKHYAROB-UHFFFAOYSA-N 436.287 4.004 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1nc(-c2cc(C)ccn2)n[nH]1 428383063 LATSWITZECRQTJ-CQSZACIVSA-N 440.529 4.467 5 20 IIBD Cc1ccc(-c2csc(NC(=O)c3cccc(N4CCNC4=O)c3C)n2)cc1[N+](=O)[O-] 428506332 JPVPUOYLPMFWGG-UHFFFAOYSA-N 437.481 4.117 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](CO)c1ccc(Br)c(F)c1 429022920 UDTVLTHRBSTUTQ-KRWDZBQOSA-N 427.270 4.107 5 20 IIBD CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 432338726 XVYAVDXIZWCPNQ-YEJXKQKISA-N 429.860 4.068 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1C(=O)N(C)C 434170565 RVHJEMJTPIOPDG-HZPDHXFCSA-N 438.528 4.340 5 20 IIBD O=C(Nc1nc2c(ccc3ccccc32)s1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 435636263 IWOYBYOVFIMJJW-UHFFFAOYSA-N 446.444 4.263 5 20 IIBD O=C([C@@H]1CC[C@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1)N1CCCC1 435735485 NHWBLAJYUSAVKB-MJGOQNOKSA-N 427.476 4.407 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(-c2noc(C(F)F)n2)cc1 439243018 CRRSYXBHLMBKAD-UHFFFAOYSA-N 426.282 4.436 5 20 IIBD O=C(NCc1cccc(COCC(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1Br 442020176 QGTWTLWSPMLSFL-UHFFFAOYSA-N 447.207 4.366 5 20 IIBD Cc1ccc(N2CCC(NC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)CC2)nc1 444076234 QLSXGDCABRXRSR-UHFFFAOYSA-N 448.473 4.062 5 20 IIBD CC[C@H]1Oc2cc([C@@H](C)NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)ccc2NC1=O 444130480 LKQQJSACTNAFCU-JLCFBVMHSA-N 441.487 4.282 5 20 IIBD O=C(NCc1ccccc1-n1ccnc1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444288358 LOHMQYSLLAOSPC-UHFFFAOYSA-N 430.414 4.075 5 20 IIBD Cn1cnc([N+](=O)[O-])c1-c1noc(Cc2cccc(OCc3ccccc3Cl)c2)n1 445576374 JYTROOHZZPJBSU-UHFFFAOYSA-N 425.832 4.202 5 20 IIBD CC(=O)c1ccc(C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)o1 446104206 SNSCVLMMFKHEEY-UHFFFAOYSA-N 439.493 4.077 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCc2ccc(OC(F)F)cn2)cc1[N+](=O)[O-])c1ccccn1 446579266 BILDQZLDHZCGSB-CYBMUJFWSA-N 443.410 4.089 5 20 IIBD O=[N+]([O-])c1ccc(/C=C(\Cc2nc(Cn3cncn3)no2)c2nc3ccccc3s2)cc1 460750074 UUVPWGJZLHMCBE-OQLLNIDSSA-N 445.464 4.011 5 20 IIBD COc1cccc(C[C@@]2(C(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)C[C@H]3CC[C@H]2C3)c1 461410730 ZDPYSWULCVZJEB-JVFUWBCBSA-N 436.508 4.374 5 20 IIBD O=C(c1cc(C(=O)N2CCC[C@@H]2C2CCC2)cc([N+](=O)[O-])c1)N1CCC[C@@H]1C1CCC1 461654451 CMFLADBGORBYCC-FGZHOGPDSA-N 425.529 4.404 5 20 IIBD COc1ccc([C@H]2CCCN2S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 462473191 NYYOADVBSWZAMN-OAHLLOKOSA-N 431.297 4.436 5 20 IIBD Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464662021 RGZXVSJUDSFVRJ-UHFFFAOYSA-N 428.533 4.067 5 20 IIBD CC(C)c1nnc(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)s1 465388342 MVLHXXZENDDYPO-CYBMUJFWSA-N 426.502 4.068 5 20 IIBD COc1ccc2c(c1)CN(C(=O)COc1ccc([N+](=O)[O-])c(OC)c1)[C@H](c1ccccc1)C2 469455293 TWZKGFBKNPQKJR-QHCPKHFHSA-N 448.475 4.317 5 20 IIBD C[C@@H](CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1cccc(C(F)(F)F)c1 469997565 ANFOULUVJHLTCO-ZDUSSCGKSA-N 433.390 4.118 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCO[C@@]4(CCO[C@H]4C)C3)cc2[N+](=O)[O-])cc1 470674239 KETFIGDUHFZEMU-AOMKIAJQSA-N 428.510 4.074 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@@H](OC)c1ccc(Br)cc1 471097454 DLDHVCGYQPLTQV-KPZWWZAWSA-N 437.290 4.262 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CCC(c2ccccc2C(F)(F)F)CC1 472612417 LZJXXTIAYKERAI-UHFFFAOYSA-N 439.365 4.097 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2nc(-c3ccc(Br)cc3)no2)c1 472669018 UZVHQKMNHIUEPA-NSHDSACASA-N 431.246 4.207 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 473765460 OTGCQPLIBUXCRO-CQSZACIVSA-N 440.905 4.081 5 20 IIBD COc1cc(OCC(=O)N2CC=C(c3ccccc3C(F)(F)F)CC2)ccc1[N+](=O)[O-] 478404024 MHWFQAZVXFSPMV-UHFFFAOYSA-N 436.386 4.317 5 20 IIBD COc1cc(C(=O)Nc2ccc(OCc3cn4ccccc4n3)cc2)cc([N+](=O)[O-])c1C 480145112 NDOBHTDDBMMPRB-UHFFFAOYSA-N 432.436 4.391 5 20 IIBD COc1cc(CN[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F 481192544 SRTLSDNSYMSONQ-QFBILLFUSA-N 449.498 4.248 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(c3cccc(Cl)c3)CC2)c2ncccc12 481262053 UMSDDMJUJPPGBD-UHFFFAOYSA-N 431.901 4.365 5 20 IIBD CCN(C(=O)[C@H](C)Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC)c1ccccc1 481356182 APENFOXWCDPOHA-HNNXBMFYSA-N 425.514 4.407 5 20 IIBD O=[N+]([O-])c1ccccc1OCCN[C@H](CO)c1ccc(Br)cc1C(F)(F)F 483272361 QNCASMWLRZLTEK-CQSZACIVSA-N 449.223 4.078 5 20 IIBD CN(Cc1ccc([S@@](C)=O)cc1)C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 485743336 QTBBQPDLCQUFBQ-WJOKGBTCSA-N 438.505 4.183 5 20 IIBD CN1CCc2nc(NC(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)sc2C1 486570980 AXHIKDFFWDSWCB-UHFFFAOYSA-N 426.523 4.443 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 488917286 RPUWBSJFCQNCJS-UHFFFAOYSA-N 443.569 4.070 5 20 IIBD COc1ccccc1SC[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 488925399 VNAJYPBWWBUGHZ-LBPRGKRZSA-N 426.441 4.363 5 20 IIBD CCCN(C(=O)c1cc(OC)c(OCC)cc1[N+](=O)[O-])[C@@H](C)C(=O)Nc1ccccc1C 489993567 JATIOTRAWWNNJS-INIZCTEOSA-N 443.500 4.190 5 20 IIBD Cc1ccc(Sc2ccc(CNc3ccc(S(N)(=O)=O)cc3)cc2[N+](=O)[O-])cc1 490005079 OJLMTNPFNQTTAA-UHFFFAOYSA-N 429.523 4.314 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](c1ccccc1OC(F)F)C(F)(F)F 491308584 UJSIYKQMPBPWJP-MRXNPFEDSA-N 449.332 4.037 5 20 IIBD CCOc1cc(CSc2nc3ccccc3c(=O)n2CCCOC)ccc1[N+](=O)[O-] 491981802 QMQLHSYLNTVOGN-UHFFFAOYSA-N 429.498 4.032 5 20 IIBD COCCN(Cc1cc(Br)cs1)C(=O)Nc1ccc([N+](=O)[O-])cc1F 492937756 RHDMACGPRDOCTF-UHFFFAOYSA-N 432.271 4.238 5 20 IIBD O=C(Nc1cccc(Cl)c1)c1ccc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)nc1 492996845 WRZPMQYWBCNECX-UHFFFAOYSA-N 437.887 4.222 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 494632308 SDVHCDULGHGCPZ-UHFFFAOYSA-N 445.475 4.378 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 494672086 GETLEHCLAJRKQV-UHFFFAOYSA-N 432.498 4.103 5 20 IIBD COCCN(CCCc1ccccc1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 499356860 NHNRPOLNIDEFFI-UHFFFAOYSA-N 425.510 4.440 5 20 IIBD CC(C)Oc1ccc(CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])c(C(F)(F)F)c1 500692417 AJEHBQHXBAHCTK-UHFFFAOYSA-N 446.447 4.063 5 20 IIBD Cc1cnc(O)n1-c1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 501795984 MDPJEUAKKZJMOX-KBPBESRZSA-N 444.875 4.093 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](CNC(=O)c2ccccc2)C1 503397222 GQTKFHCLASFBKC-QGZVFWFLSA-N 441.553 4.379 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 506598006 XBMRRMSIMTWYQJ-ZDUSSCGKSA-N 439.365 4.097 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](Cn1ccccc1=O)c1ccccc1 508785890 SVYVXPUBXFMONN-QFIPXVFZSA-N 434.496 4.118 5 20 IIBD CC(C)[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1nncn1C 512501142 FDDOITJSKISYJB-KRWDZBQOSA-N 434.294 4.233 5 20 IIBD Cn1ccnc1[C@@H](NCCCc1nc(-c2ccncc2)cs1)c1ccc([N+](=O)[O-])cc1 513662669 YOAIRWCYNKDCOL-NRFANRHFSA-N 434.525 4.159 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC(Oc2ccccc2Cl)CC1 513833433 CAWPRWMTGBHLDM-UHFFFAOYSA-N 431.297 4.134 5 20 IIBD C[C@@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccc(OCC(F)(F)F)cc1 514028299 CJPVQAYMFUADAB-CYBMUJFWSA-N 426.395 4.008 5 20 IIBD COc1ccc(CSCC(=O)Nc2c3c(nn2-c2ccccc2)CCC3)cc1[N+](=O)[O-] 514901679 JZSFKNDKGCRLGN-UHFFFAOYSA-N 438.509 4.150 5 20 IIBD C[C@H]1CN(c2ccccc2NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 515615463 WGLVXYVEKNOLOB-HDICACEKSA-N 438.528 4.064 5 20 IIBD O=C(CCn1cc([N+](=O)[O-])cn1)N(Cc1ccccc1OC(F)(F)F)C1CCCC1 517841443 OHDCQNARTNLAHA-UHFFFAOYSA-N 426.395 4.051 5 20 IIBD O=C(NCc1cc(Br)c2c(c1)OCO2)Nc1ccc([N+](=O)[O-])cc1Cl 518702949 YFFJCEFJIXZLSS-UHFFFAOYSA-N 428.626 4.061 5 20 IIBD COc1ccc(CC[C@@H]2CCCCN2C(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1OC 521205359 BJQMDBDYQMQCHO-FQEVSTJZSA-N 441.528 4.351 5 20 IIBD Cc1ccc(CN2CCSCC2)cc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 522847960 PIJVVHHVDWPKOC-UHFFFAOYSA-N 426.542 4.279 5 20 IIBD CC[C@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1cc(F)ccc1F 524848574 DUPILKRDEHETPF-HNNXBMFYSA-N 433.440 4.034 5 20 IIBD Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 525527888 RWDDTNRHUQEVKG-UHFFFAOYSA-N 437.283 4.096 5 20 IIBD CN(Cc1ccco1)Cc1ccccc1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 525608674 RRGZMQVRFUHHGS-UHFFFAOYSA-N 448.523 4.350 5 20 IIBD CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 534946804 FTQTXUGLSQFIRP-ZDUSSCGKSA-N 447.538 4.280 5 20 IIBD CN1CC[C@@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]1c1ccc(Cl)c(F)c1 534959375 GKFRERGYRKELBW-FPTDNZKUSA-N 444.894 4.220 5 20 IIBD Cc1nc(SCC(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)c2c(C)c(C)sc2n1 535458115 FHJLNLAUZFHCEV-UHFFFAOYSA-N 428.499 4.132 5 20 IIBD CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc12 538657262 ORGRNOLXJIDWKO-AWEZNQCLSA-N 427.482 4.054 5 20 IIBD CC[C@@H](NCc1ccc(Br)cc1N1CCOCC1)c1cccc([N+](=O)[O-])c1 540164935 OZAYVVPGFLEOBE-LJQANCHMSA-N 434.334 4.435 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 542014379 JLXZWOPFZIZOGM-NSHDSACASA-N 449.336 4.281 5 20 IIBD C[C@H](C(=O)Nc1cc(Br)ccc1-n1cccn1)c1ccc([N+](=O)[O-])cc1F 542549685 CNYMXMQNECFGGP-NSHDSACASA-N 433.237 4.424 5 20 IIBD CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F 544401224 FZPOMHBXKQJLFG-LLVKDONJSA-N 441.381 4.132 5 20 IIBD COc1cc(C(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)c([N+](=O)[O-])cc1OC 545819883 PXMHPOBRNTVMKT-UHFFFAOYSA-N 436.346 4.069 5 20 IIBD CCOc1cc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)ccc1OC(F)F 546534344 KYJSULQBUGOYSH-UHFFFAOYSA-N 426.391 4.328 5 20 IIBD Cc1ccc(I)cc1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 548981342 VJLCYPDHYORLJG-UHFFFAOYSA-N 439.253 4.214 5 20 IIBD CN(CCC1CCOCC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cccs1 559165381 SSNYYAVHHMQIIW-UHFFFAOYSA-N 427.530 4.216 5 20 IIBD Cc1cc(C)c(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)c(OCc2ccccc2)n1 561474579 TUNSXQBOCZYTPP-UHFFFAOYSA-N 432.436 4.051 5 20 IIBD CC(=O)c1cc(Br)ccc1OCc1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 573602748 QPCYOSOZMZBLPY-UHFFFAOYSA-N 432.230 4.497 5 20 IIBD COc1ccc(NC(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)O)cc1[N+](=O)[O-] 575243416 QJTAVWNNBVGWQK-UHFFFAOYSA-N 442.255 4.071 5 20 IIBD C[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1nccn1-c1ccccc1 581328165 LIMAYAZHMZFQSW-ZDUSSCGKSA-N 433.390 4.360 5 20 IIBD Cc1ccc(NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1N1CCCS1(=O)=O 600855185 ZGBLVRLJKARGML-UHFFFAOYSA-N 429.420 4.074 5 20 IIBD CCCNC(=O)C1CCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 602041110 XUXCODXVOMKJRT-UHFFFAOYSA-N 441.553 4.433 5 20 IIBD O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 603479804 OBMIMWCSYDAKMR-QFIPXVFZSA-N 446.438 4.195 5 20 IIBD Cc1oncc1C(=O)Nc1ccc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 603935348 PPVNAKFPDYVDHF-ZDUSSCGKSA-N 426.454 4.263 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccc(Br)o2)cc1 604183931 HKCFSPNMLKDDLB-UHFFFAOYSA-N 444.241 4.133 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N(Cc3ccccc3)C[C@H]3CCCO3)cc2)c(C)c1[N+](=O)[O-] 604340224 PQOZBZXOGATBSY-HSZRJFAPSA-N 448.523 4.278 5 20 IIBD COc1cc(OCC(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)ccc1[N+](=O)[O-] 604456904 IBYANCNYUWFIBA-FUZDQOGZSA-N 444.487 4.396 5 20 IIBD CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 609454961 DMHCBTFPUUEIQC-UHFFFAOYSA-N 442.472 4.030 5 20 IIBD Cc1cc(NC(=O)c2nc(C(C)C)n(-c3cccc(F)c3)n2)n(-c2ccc([N+](=O)[O-])cc2)n1 609783148 FMNKDAKLGCVMQF-UHFFFAOYSA-N 449.446 4.184 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1 609836047 HEUCDCIEUGVJPD-IBGZPJMESA-N 426.860 4.381 5 20 IIBD C[C@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 610649466 VYTRPWLWUUHKEK-KRWDZBQOSA-N 438.505 4.335 5 20 IIBD CN1CCC(N(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)CC1 610666396 LQNFMXZYOADUSP-UHFFFAOYSA-N 432.318 4.027 5 20 IIBD Cn1cc(CN[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 611464447 YKMLERCOMFWWMH-SFHVURJKSA-N 445.445 4.383 5 20 IIBD Cc1ccncc1[C@H](C)NCC(=O)Nc1cc(N[C@@H](C)c2cnccc2C)ccc1[N+](=O)[O-] 611938887 BILYLJAHTCIFTQ-ROUUACIJSA-N 448.527 4.464 5 20 IIBD COc1cc(Cc2noc(CCc3ccc(Br)cc3F)n2)ccc1[N+](=O)[O-] 612966218 IUKIPBHQVOCIPM-UHFFFAOYSA-N 436.237 4.264 5 20 IIBD O=C(c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)N1Cc2ccccc2-c2ccccc21 618083277 AMAUUCZMAFMZGV-UHFFFAOYSA-N 427.416 4.076 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(-c2cc3ccccc3s2)[nH]n1 619468155 AKYFCBFUYDQASM-UHFFFAOYSA-N 430.467 4.009 5 20 IIBD COc1ccc(-c2cc(COC(=O)c3cc([N+](=O)[O-])ccc3Br)on2)cc1 725986218 UMZRYSXMQHMVCR-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD CN(CCc1ccc(Br)cc1)C(=O)c1cc([N+](=O)[O-])ccc1Br 730186221 LFOZELVSFUDTJD-UHFFFAOYSA-N 442.107 4.435 5 20 IIBD COc1ccc(C(=O)Oc2ccc(C(=O)N3CCc4sccc4C3)cc2)cc1[N+](=O)[O-] 731333920 CQLCEAPBEIXIEK-UHFFFAOYSA-N 438.461 4.083 5 20 IIBD CC(C)n1c(S)nnc1CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 731440693 MLHHEYUQTVMZPR-UHFFFAOYSA-N 429.527 4.137 5 20 IIBD C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 731514544 WSYWTKFLZYGHIX-GTNSWQLSSA-N 439.251 4.018 5 20 IIBD CN1C(=O)C[C@H](COC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H]1c1cccc(Cl)c1 737391507 ZXVRUMOTNXULLH-VLIAUNLRSA-N 427.844 4.106 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Br)C1(c2ccc(F)cc2)CCOCC1 739580184 SKBLEJLMAOYXMM-UHFFFAOYSA-N 438.249 4.288 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)OC[C@H]1CCC(=O)N(C)[C@H]1c1cccc(Cl)c1 740606543 WOILSBQAPWPPSG-VLIAUNLRSA-N 432.860 4.023 5 20 IIBD COc1cc(CN(C)Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)c(SC)cc1OC 741241024 RBEYXDRYBWPANY-UHFFFAOYSA-N 428.514 4.287 5 20 IIBD Cc1c(C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 742853002 RSSKRHZFOOUAKZ-UHFFFAOYSA-N 429.820 4.270 5 20 IIBD CCc1ccc(C(=O)N2CCC(=C3C(=O)Nc4cc(Cl)ccc43)CC2)cc1[N+](=O)[O-] 746689917 ZZRJLABNMYTWMV-UHFFFAOYSA-N 425.872 4.453 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2ccc(Cl)c(C(F)(F)F)c2)c([N+](=O)[O-])c1 747113650 XTGSNBMOQWSAHE-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD O=C(COC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccc(Oc2ccccc2)cc1 747685731 OPDYFPWQGXGLOB-UHFFFAOYSA-N 444.403 4.008 5 20 IIBD Cc1c(C(=O)N(C)C[C@H]2CCCO[C@H]2c2ccccc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748734143 ZDBUDFUQGUVKGW-UTKZUKDTSA-N 427.457 4.360 5 20 IIBD CCNC(=O)c1cccc(OC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 749514340 NCKDHKWZNVCWDK-HNNXBMFYSA-N 434.452 4.132 5 20 IIBD CCCn1c(SC[C@@H](O)c2cccc([N+](=O)[O-])c2)nc2sc3c(c2c1=O)CCC3 749641988 VWRULJYFBKMWRY-OAHLLOKOSA-N 431.539 4.091 5 20 IIBD C[C@H](O)C[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1ccccc1 750904016 BXSDNCWDYMPMGZ-WCQYABFASA-N 441.709 4.295 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1)N1CCCn2nccc21 751120349 AQJXUJQEWYPMBJ-UHFFFAOYSA-N 445.523 4.301 5 20 IIBD O=[N+]([O-])c1cc2c(c(CN(Cc3ccccc3)C[C@]3(O)CCc4ccccc43)c1)OCOC2 752128855 GXRVNPNQYWVTJX-AREMUKBSSA-N 446.503 4.298 5 20 IIBD CC(C)[C@H](OC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)N1CCc2sccc2C1 755059630 CMHBTJIHPKWGPX-YJYMSZOUSA-N 434.489 4.052 5 20 IIBD Cc1cc(C(=O)COC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c(C)n1CC(F)(F)F 755069478 VIRZBVLYZMLUFV-NSHDSACASA-N 430.354 4.244 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1cccc(COC2CCCCC2)c1 757274644 GWUCIMGCCDOHSP-UHFFFAOYSA-N 445.903 4.352 5 20 IIBD CCOCCCn1c(NC(=O)c2cccc([N+](=O)[O-])c2Br)nc2ccccc21 758263449 GFFGPIQYBGIYSA-UHFFFAOYSA-N 447.289 4.386 5 20 IIBD Cc1nccn1-c1ccc(-c2noc([C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)cn1 761911911 NTEAHOLRYQQMGO-NSHDSACASA-N 426.820 4.327 5 20 IIBD CC(=O)N1CCN(c2ccc(-c3nc(C4CCCCCCC4)no3)cc2[N+](=O)[O-])CC1 762363062 NASPOVGQFNOGKT-UHFFFAOYSA-N 427.505 4.141 5 20 IIBD CC(C)(C(=O)OCc1cc(=O)c(OCc2ccccc2)co1)c1ccc([N+](=O)[O-])cc1F 763012540 FKLJPDREWIQSKA-UHFFFAOYSA-N 441.411 4.287 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Oc1cccc(Oc2ccnc(C(N)=O)c2)c1 765091552 CBZRKKMEYTUQPJ-INIZCTEOSA-N 435.436 4.055 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1ccc(N(C)C(=O)c2ccncc2)cc1 769883571 PSYGOZALQGRHEN-UHFFFAOYSA-N 432.480 4.122 5 20 IIBD CC(C)S(=O)(=O)c1cccc(C(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])c1 770009982 HVQBVFUQDRIZKK-NRFANRHFSA-N 440.477 4.118 5 20 IIBD Cn1ccnc1[C@H](O)[C@@H]1CCCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 770334238 FKSTUKIOBGLUAQ-VGOFRKELSA-N 440.475 4.205 5 20 IIBD CN(C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1)C(=O)OC(C)(C)C 771765386 MJWZNSYWOWCCQB-GFCCVEGCSA-N 446.426 4.334 5 20 IIBD Cn1c([C@@H](NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)nc2ccccc21 775758245 BRJOPNULGUISKA-QFIPXVFZSA-N 449.898 4.453 5 20 IIBD COc1ccccc1-n1c(SC[C@@H](O)c2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O 776272827 XSBVEXCHVZZPRM-HXUWFJFHSA-N 449.488 4.128 5 20 IIBD CN(C)c1ccc(N(Cc2ccccn2)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1 776389933 IZTYBYNIGBQRFN-UHFFFAOYSA-N 442.479 4.089 5 20 IIBD CCN(C(=O)c1cccc(SC)c1[N+](=O)[O-])c1ccc(S(=O)(=O)C(F)(F)F)cc1 776799953 OZDIPDLWCWWZAP-UHFFFAOYSA-N 448.444 4.277 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2nnc(S)n2CC)C1 777387880 GLVUQDRPSFPMMP-AWEZNQCLSA-N 449.602 4.407 5 20 IIBD O=C(OCc1nc(O)c2ccc(C(F)(F)F)cc2n1)C(F)(F)c1ccc([N+](=O)[O-])cc1 778172320 STFQUGMHKNHCIE-UHFFFAOYSA-N 443.284 4.098 5 20 IIBD C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCOC1 781029661 RPLFBFOKHCNMMM-KBPBESRZSA-N 431.876 4.045 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccc(-c2ccc(C)o2)s1 781748301 VLOSYHOENLLULI-GFCCVEGCSA-N 430.438 4.417 5 20 IIBD O=C(NCCCc1ccc(Cl)cc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 783333532 WZYYPEHCTCANSH-UHFFFAOYSA-N 430.675 4.243 5 20 IIBD O=C(O[C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1)c1ccc(OC2CCOCC2)cc1 787033300 SSHHJOOCQFNAKR-FQEVSTJZSA-N 444.459 4.118 5 20 IIBD Cc1nc(-c2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)cc2)oc1C 790392741 YAQNRGMRZDCKHA-UHFFFAOYSA-N 446.441 4.192 5 20 IIBD CC(C)C[C@@H]1C[C@@H](NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCO1 790812944 ITTSGSBGFMGZIF-UONOGXRCSA-N 440.338 4.019 5 20 IIBD O=C(Nc1nc2cc(F)c(Br)cc2s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 791082957 HLALVWVQFPPPQF-UHFFFAOYSA-N 441.194 4.267 5 20 IIBD Cc1ccc(-n2ncc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)c2C(C)C)cc1 791190173 NNZQNCXITZLDAQ-UHFFFAOYSA-N 449.511 4.301 5 20 IIBD CCOc1ccccc1NC(=O)CCN1CCc2c(Br)ccc([N+](=O)[O-])c2C1 792895759 CKBLGPBETDREJG-UHFFFAOYSA-N 448.317 4.143 5 20 IIBD O=C(CCN1CCc2c(Br)ccc([N+](=O)[O-])c2C1)Nc1ccccc1Cl 792900335 SZVPAQDRWXJEDP-UHFFFAOYSA-N 438.709 4.398 5 20 IIBD CC(C)(C)OC(=O)NCC[C@@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 799362872 VAUXHNWUZVKACL-INIZCTEOSA-N 430.505 4.377 5 20 IIBD Cc1ccc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] 800377272 RPWJNTYXWWFXOA-RBUKOAKNSA-N 425.485 4.036 5 20 IIBD C[C@@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)c1ccsc1 801066500 WMFLKGZSTGOAKI-GFCCVEGCSA-N 428.436 4.268 5 20 IIBD COc1cc(OC)cc(Oc2cccc(CNC(=O)c3cc(F)ccc3[N+](=O)[O-])c2)c1 804141575 YCEYKJUSGFYYLE-UHFFFAOYSA-N 426.400 4.473 5 20 IIBD Cc1cccn(Cc2c(F)cccc2NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c1=O 807745513 COSJARMFGUQVJP-UHFFFAOYSA-N 447.825 4.226 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl 809913214 ZSIJMMVZJCVTFT-UHFFFAOYSA-N 441.669 4.079 5 20 IIBD COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)cc1I 813246766 POUSOCIMFVTOHV-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD O=C1CCCc2cc(C(=O)N3CCc4c(Br)ccc([N+](=O)[O-])c4C3)ccc21 816603789 POPXQJUEBUMDQP-UHFFFAOYSA-N 429.270 4.075 5 20 IIBD Cc1ccc(-c2cc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)c3c(C)noc3n2)cc1 829458231 DNQAHMNWAIFGCA-UHFFFAOYSA-N 431.404 4.455 5 20 IIBD CC(C)[C@@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)N(C)C1CCCCC1 876753044 HFBQNYHQGLOJOA-QGZVFWFLSA-N 441.322 4.330 5 20 IIBD CC(C)[C@@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)N(C)c1ccccc1 878473034 QEQRZFHNTHETOP-AREMUKBSSA-N 442.515 4.386 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-n2nccn2)cc1C(F)(F)F 915106601 JDDLITPBPXDYSQ-LLVKDONJSA-N 437.403 4.314 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@H](C)Oc1cccc(Cl)c1Cl 915499554 UFFICDMZSHIORA-NSHDSACASA-N 427.240 4.159 5 20 IIBD CC(C)c1ccc(-c2nc(C(=O)NS(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)cs2)cc1 916786565 WWCSBGGBTUSKFI-UHFFFAOYSA-N 445.522 4.102 5 20 IIBD C[C@H](OC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 917257872 JRJLASGIIVLRJU-NFFDBFGFSA-N 446.422 4.022 5 20 IIBD O=C(COC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)N[C@@H](Cc1ccccc1)c1ccccc1 917332808 ZGLZAJSDZYJQMB-FQEVSTJZSA-N 443.459 4.333 5 20 IIBD COc1ccc(COC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)c1OC 917972354 WXBPWAIYJRPXER-UHFFFAOYSA-N 436.214 4.478 5 20 IIBD Cc1ccc(-c2noc([C@H](C)OC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)n2)cc1F 922754558 LOIBCLUZCDMFED-ZDUSSCGKSA-N 437.387 4.196 5 20 IIBD CC(C)(NC(=O)Nc1cc2c(cc1Br)OCCO2)c1ccc([N+](=O)[O-])cc1 1319474773 LEOWCJDKADICBD-UHFFFAOYSA-N 436.262 4.185 5 20 IIBD O=C(N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)N1Cc2ccc([N+](=O)[O-])cc2C1 1325058621 PMYLHUMGVPHSEE-CTYIDZIISA-N 434.265 4.468 5 20 IIBD Cc1nn(Cc2ccc(-c3nnc([C@H]4COc5ccccc5O4)o3)cc2)c(C)c1[N+](=O)[O-] 1326049547 HDXJFHHBQYMETA-LJQANCHMSA-N 433.424 4.019 5 20 IIBD COc1ccc(Br)c(-c2nnc(-c3ccn(-c4ccccc4[N+](=O)[O-])n3)o2)c1 1341639610 DBHJJOXCDTXYNJ-UHFFFAOYSA-N 442.229 4.269 5 20 IIBD Cc1cc(C(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)c(C)n1Cc1ccco1 1343992703 DOXIMKBFFFENLR-UHFFFAOYSA-N 438.484 4.123 5 20 IIBD CC(C)c1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CCC2)on1 1785750124 TXRKKHPGFOVWDZ-UHFFFAOYSA-N 438.440 4.361 5 20 IIBD Cc1ccc(F)cc1C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1 1785941867 MTQXZIPUNCGNPF-UHFFFAOYSA-N 436.443 4.432 5 20 IIBD CC(C)c1nc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])[nH]4)CCC3)cc2)co1 1787028320 ZGQGYXXVXDZUAK-UHFFFAOYSA-N 437.456 4.096 5 20 IIBD CC(C)c1nc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])[nH]4)cc3)CCC2)co1 1790184482 OAZVHWZUYPQZCG-UHFFFAOYSA-N 437.456 4.096 5 20 IIBD CCCCC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1F)C2 1801715993 PMNSDJMMBXWWLR-OQIJWPOYSA-N 433.524 4.131 5 20 IIBD C/C=C/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cccc([N+](=O)[O-])c2)n[nH]1 1815538206 APVASEHKTBOTIG-NKLOFGTRSA-N 437.500 4.075 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC([C@@H]2CCCCN2C(=O)C2=CCCC2)CC1 1826279215 URDHIHDSOUTFSI-NRFANRHFSA-N 429.492 4.078 5 20 IIBD CCC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)CCC1 1828478076 KTTODFLRZJAGFH-OAQYLSRUSA-N 443.544 4.114 5 20 IIBD CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 9663307 OCRPYDIDFLAUJV-ZDUSSCGKSA-N 429.477 4.055 5 20 IIBD O=C(COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cc(C(F)(F)F)ccc1Cl 10760329 XANGDTSJWZGREP-FPYGCLRLSA-N 428.750 4.462 5 20 IIBD C[C@H](Sc1nnc(NCCc2ccccc2)s1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 10775906 DDOZCDDFUFJELN-LBPRGKRZSA-N 447.517 4.359 5 20 IIBD CCc1ccc(-c2csc(NC(=O)COC(=O)c3ccc(OC)c([N+](=O)[O-])c3)n2)cc1 11342015 SVXVHNGDRSCOTF-UHFFFAOYSA-N 441.465 4.085 5 20 IIBD C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 11347698 WQZUDSJIYWXEFW-SNVBAGLBSA-N 427.417 4.385 5 20 IIBD CCCOc1c(Cl)cc(C(=O)OCC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1OC 12251817 BQMLYKWDJUHILS-UHFFFAOYSA-N 436.848 4.150 5 20 IIBD NC(=O)c1ccc(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c([N+](=O)[O-])c1 15653701 PBXTYYSXHVSMLM-UHFFFAOYSA-N 433.795 4.097 5 20 IIBD CCn1c(S[C@H](C)C(=O)NCCc2ccccc2)nc2cc3ccccc3cc2c1=O 18467429 SXYRBTHOYOHUOV-QGZVFWFLSA-N 431.561 4.409 5 20 IIBD COc1cc(C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)c([N+](=O)[O-])cc1OC 28842122 QNJSJYYRCXOHIZ-UHFFFAOYSA-N 443.359 4.373 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CSc1nc2ccccc2c(=O)n1Cc1cccnc1 29619585 SOSCMGIRXNIPJO-UHFFFAOYSA-N 434.477 4.049 5 20 IIBD Cc1ccc(CN(CCc2ccccc2)C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)s1 45874402 QSIFZXXXWZWAIV-UHFFFAOYSA-N 447.520 4.431 5 20 IIBD Cc1cc(C)n(-c2ccc(CNc3ccc(C(N)=O)cc3[N+](=O)[O-])c(C(F)(F)F)c2)n1 63267259 HTXRGBWSTSSZAC-UHFFFAOYSA-N 433.390 4.127 5 20 IIBD O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 105564509 QNAKJCTWVNQILH-UHFFFAOYSA-N 434.408 4.262 5 20 IIBD O=C(NCc1ccc(F)cc1)C1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 301106800 QPCXYUCRGDDIGK-UHFFFAOYSA-N 425.382 4.286 5 20 IIBD O=c1c(Cl)c(N[C@H]2CCCN(c3cccc(F)c3)C2)cnn1-c1ccc([N+](=O)[O-])cc1 301327143 ZTESXIMAULKZHA-HNNXBMFYSA-N 443.866 4.014 5 20 IIBD CCOC[C@H]1CCCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 303594393 MXEBCBMAJYBJQA-IBGZPJMESA-N 448.523 4.265 5 20 IIBD Cc1cc(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)sc1-c1ccc(F)cc1 303690350 LYIFPAJLQKQEBH-MRXNPFEDSA-N 426.473 4.492 5 20 IIBD Cc1ccc(C(=O)c2ccccc2C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1C 303725306 SPRQDEHARIOOQD-IBGZPJMESA-N 444.491 4.164 5 20 IIBD COc1cc(F)c(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1OC 410028088 IWTONFBQJGPVAZ-OKILXGFUSA-N 431.464 4.486 5 20 IIBD CCOc1cc(NC(=O)N[C@H](C)c2cccc(NC(C)=O)c2)c([N+](=O)[O-])cc1OCC 410289618 PPNAHLMVMCITSK-CYBMUJFWSA-N 430.461 4.233 5 20 IIBD CCCc1c(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cnn1-c1ccc(F)cc1 429266114 SIWUKHMQZKBURY-UHFFFAOYSA-N 434.431 4.310 5 20 IIBD CCCc1c(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cnn1-c1ccc(F)cc1 429339923 GCHLPMXBSKQEIM-UHFFFAOYSA-N 434.431 4.310 5 20 IIBD O=C(NCC[C@H](c1ccccc1)C(F)(F)F)N1CCN(c2ccccc2[N+](=O)[O-])CC1 432476775 JDNWITGHXOAGLS-QGZVFWFLSA-N 436.434 4.163 5 20 IIBD CCc1cc(C)cc(CC)c1NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 435173012 ZJDKWDMSALZYOL-UHFFFAOYSA-N 430.530 4.079 5 20 IIBD CC(C)COc1ccc(NC(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1Cl 437068522 KEGRROUITCKTAB-UHFFFAOYSA-N 445.903 4.413 5 20 IIBD NC(=O)c1ccc(SCC(=O)N2CCC[C@@H](CCCc3ccccc3)C2)c([N+](=O)[O-])c1 439165437 FNDIVPVCSAQCEP-GOSISDBHSA-N 441.553 4.047 5 20 IIBD COc1ccc([C@H]2CCCCCN2C(=O)COc2ccc(C(C)=O)cc2[N+](=O)[O-])cc1 440882937 RWROYESNWBZGCW-HXUWFJFHSA-N 426.469 4.329 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](c2nc3ccc(F)cc3o2)C1 443650484 HPVKDQVTMLOJHF-AWEZNQCLSA-N 442.447 4.092 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCO[C@@H](Cc2ccccc2)C1 444285856 HKWIJJMALPXRPX-KRWDZBQOSA-N 434.442 4.043 5 20 IIBD CCC[C@]1(CO)CCCN1C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 444534466 PCFBPYMNAFIQPG-RUZDIDTESA-N 448.523 4.144 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 444925892 BCFRWFZIKYQYPH-UHFFFAOYSA-N 438.415 4.317 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCc1nc(-c2cccc3c(Br)cccc23)no1 445233201 IDPBSPBMOFSBOH-UHFFFAOYSA-N 428.246 4.308 5 20 IIBD Cc1sc(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1-c1ccc(F)cc1 446314961 ZBRLLTPKPUDMRI-MRXNPFEDSA-N 426.473 4.492 5 20 IIBD Cc1c(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cnn1-c1cccc(C(F)(F)F)c1 446427137 ZZUVBSZPXSRCDC-UHFFFAOYSA-N 430.386 4.306 5 20 IIBD CCCCCC(=O)NC1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC1 447672771 VHLWWLUTMHBXEJ-UHFFFAOYSA-N 438.397 4.309 5 20 IIBD CCc1nn(C)c(N2CCC[C@@H](c3nc(-c4ccccc4OC)cs3)C2)c1[N+](=O)[O-] 447694571 RWSICQXLKMIDNZ-CQSZACIVSA-N 427.530 4.407 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCCO1 461842677 XYBAFVZZYDRFTM-WOJBJXKFSA-N 429.521 4.022 5 20 IIBD CCN(c1ccccc1)c1ccc(CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)cc1 462903194 BUQNMDYYZULCAI-UHFFFAOYSA-N 426.498 4.012 5 20 IIBD C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1nc(C2CCCCC2)no1 464713012 PTZQNNMZJZTPOM-OAHLLOKOSA-N 427.505 4.119 5 20 IIBD CC[C@H]1Oc2cc([C@@H](C)N=c3cc(C)[nH]c(-c4ccc([N+](=O)[O-])cc4)n3)ccc2NC1=O 467012995 LFQXKESBFQHWBU-AUUYWEPGSA-N 433.468 4.065 5 20 IIBD O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1CCC[C@H](OCCO)C1 467930741 SIXYEGDQHSIGJA-HNNXBMFYSA-N 436.917 4.013 5 20 IIBD O=C(c1ccc(F)cc1)C1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 468792191 CNRULDZWIGHGPX-UHFFFAOYSA-N 435.249 4.232 5 20 IIBD O=C(Nc1ccccc1Oc1cc(F)cc(F)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 468825042 DTRZKZDJCXWHCC-UHFFFAOYSA-N 437.362 4.498 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)cc1SC 470163805 UNFAJKDSIMAZNO-SFHVURJKSA-N 431.558 4.212 5 20 IIBD CCc1ccc(C(=O)N2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)cc1[N+](=O)[O-] 471422585 SCRWRWNWKDEMOB-UHFFFAOYSA-N 435.524 4.201 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)n2)cc1F 473080324 LCSKXAZSZJSPNF-CQSZACIVSA-N 427.436 4.162 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)NC[C@@H]1CC[C@@H](O)C1 473813229 RSJHWWRBKJEEBS-IUODEOHRSA-N 437.855 4.140 5 20 IIBD CN(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H]1C[C@H](F)CN1Cc1nccs1 475104077 ZTXTWWBSPUATMJ-WMZOPIPTSA-N 430.505 4.356 5 20 IIBD Cc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3C(=O)c3ccco3)n2)cc1[N+](=O)[O-] 478061232 LEHYRYMYDSFKKO-MRXNPFEDSA-N 440.481 4.253 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)[C@H]3CCC(C)(C)C3)cc2)cc1[N+](=O)[O-] 478217873 JPFLLFZPZFFMLO-SFHVURJKSA-N 445.541 4.355 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 478309526 MBRLKVQBMRIPJR-ZDUSSCGKSA-N 425.432 4.101 5 20 IIBD COc1cc(OC)cc(N2CC[C@@H](NC(=O)c3cc4ccccc4c4cccnc34)C2)c1 480366979 UEEMHBXURWCADX-GOSISDBHSA-N 427.504 4.414 5 20 IIBD COc1cc(C(=O)NCCc2c[nH]c3cc(Cl)cc(Cl)c23)cc([N+](=O)[O-])c1OC 481649204 ZKKQRVWCCHEZJI-UHFFFAOYSA-N 438.267 4.373 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1 484475642 RWOTWCQTVWMOPS-UHFFFAOYSA-N 428.448 4.471 5 20 IIBD O=[N+]([O-])c1ccc(OC(F)F)c(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1 485476012 XUQQXDCXUCQMNM-UHFFFAOYSA-N 430.282 4.155 5 20 IIBD COc1ccccc1[C@H](CNC(=O)c1sc(Br)cc1[N+](=O)[O-])OC(C)C 485751584 UWEUMKBHDJGARA-AWEZNQCLSA-N 443.319 4.324 5 20 IIBD CC[C@@H](NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])c1cc(F)cc(Br)c1 486604273 NYRNRLULGMAART-CQSZACIVSA-N 441.253 4.395 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1C(=O)N(C)C(C)C 488198177 ILSPTCMHKUMEQE-CQSZACIVSA-N 433.892 4.443 5 20 IIBD COC(=O)CCc1ccc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 488257684 RREIBKHLKDWFBZ-UHFFFAOYSA-N 425.363 4.041 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 488405378 AHDWJVHVMYETGP-MRXNPFEDSA-N 440.905 4.305 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1nc(C(F)(F)F)cs1 489967514 SQOQLBHISKDICA-SECBINFHSA-N 435.449 4.300 5 20 IIBD Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)C2)c1 490437760 WTFFLEODHMNECE-IBGZPJMESA-N 436.512 4.338 5 20 IIBD C[C@H](NCc1cc(I)cc([N+](=O)[O-])c1)[C@@H]1OCCc2sccc21 492195438 VWTLMIFEBFREAB-QFYYESIMSA-N 444.294 4.053 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCc1ccccc1CN1CCCCCC1 497416242 IWSXSYNYCPUUDA-UHFFFAOYSA-N 437.949 4.103 5 20 IIBD COc1ccc(CCNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c(Cl)c1OC 500472536 XCLQUCDTCMGFFO-UHFFFAOYSA-N 436.895 4.324 5 20 IIBD CCOc1cc(CN[C@@H]2CC[C@H](C)C[C@@H]2C)ccc1OCCn1c([N+](=O)[O-])cnc1C 500923954 VUPVYGUDVBQBGL-ABSDTBQOSA-N 430.549 4.492 5 20 IIBD O=C1C[C@@H](c2nc(-c3cccc([N+](=O)[O-])c3)no2)CN1Cc1cccc(C(F)(F)F)c1 505044906 RUHNDALPWROQEW-CQSZACIVSA-N 432.358 4.180 5 20 IIBD CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] 505421215 QBBDSTMQRSBSDF-UHFFFAOYSA-N 444.702 4.334 5 20 IIBD COc1cccc(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1OC 506927076 GZQMCZIXFBNXGC-OAHLLOKOSA-N 436.468 4.110 5 20 IIBD CCOCCCNC(=O)C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 507158778 FRCOWGWTRJCMJR-UHFFFAOYSA-N 431.558 4.078 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2cccc(-c3nnc(C)n3C)c2)cc1[N+](=O)[O-] 510059968 IBGSXQDHTHMJNB-UHFFFAOYSA-N 430.262 4.022 5 20 IIBD Cc1c(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cnn1C1CCCCC1 510349180 UFUXGNQLJKCKKT-FQEVSTJZSA-N 442.516 4.418 5 20 IIBD O=C(N[C@@H]1COc2cc(F)c(Br)cc21)c1cc([N+](=O)[O-])ccc1C(F)(F)F 512936640 ZWSMJGRZSXPZSN-CYBMUJFWSA-N 449.154 4.379 5 20 IIBD CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 514059316 MSDVZKVBXIXOQR-UHFFFAOYSA-N 436.917 4.260 5 20 IIBD C[C@@H](NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(Oc2cccnc2)cc1 514175320 XWHNCEDQTLSEST-GOSISDBHSA-N 447.495 4.375 5 20 IIBD CC(C)[C@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1 514488773 RROFGZKQHWOESZ-FQEVSTJZSA-N 431.876 4.450 5 20 IIBD C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 515681646 NOJZHQKXGNWBQD-INIZCTEOSA-N 445.541 4.039 5 20 IIBD CCOc1cc(NC(=O)C(=O)N(CC)Cc2ccccc2Cl)c([N+](=O)[O-])cc1OCC 516012604 SHFHYLWHSCBCIH-UHFFFAOYSA-N 449.891 4.033 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N(CCN1CCCCCC1)C1CCC1 516343229 RZAXZDOCURYRKI-UHFFFAOYSA-N 428.577 4.068 5 20 IIBD O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NCCOc1ccc([N+](=O)[O-])cc1 517592792 NCEREGGRZBWCAE-UHFFFAOYSA-N 447.900 4.021 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cn2cnc3ccccc32)cc1 518323910 DVBMQBSCGUHSCF-UHFFFAOYSA-N 436.493 4.356 5 20 IIBD Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 518586367 UFOVJTMXJYOALY-NSHDSACASA-N 444.900 4.496 5 20 IIBD Cc1ccc(CN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])c2ccc(F)cc2)o1 518696559 DGBNNBWPAZMLTF-UHFFFAOYSA-N 443.456 4.060 5 20 IIBD COc1ccc(CN[C@@H]2CCN(C3CCCC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 520971433 IBSZUTAXXLBUEK-HXUWFJFHSA-N 425.529 4.289 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(OCc2cn3ccccc3n2)cc1 521570448 FRSSQRKWURRLGS-UHFFFAOYSA-N 432.436 4.229 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 523376364 LYZCUUINEAAPEG-OAHLLOKOSA-N 442.472 4.282 5 20 IIBD O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 525354423 JDYWWAGHCSQFGJ-IBGZPJMESA-N 427.476 4.361 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1 531495366 YHXSLHULFAMPKQ-HUUCEWRRSA-N 445.541 4.131 5 20 IIBD CCCCN(C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[C@H]1CCS(=O)(=O)C1 531767283 RSJZJSPJJXHQOZ-SFHVURJKSA-N 448.566 4.175 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O 533303078 BRFKRXYTLUDPMP-FZKQIMNGSA-N 441.875 4.097 5 20 IIBD O=C([C@H]1COc2ccc(Br)cc21)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 534737262 QRNBIDNVHAYSJK-MAUKXSAKSA-N 435.299 4.108 5 20 IIBD Cc1ccc(CO)cc1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 535673960 DAOYPCIFHDZNQB-UHFFFAOYSA-N 442.475 4.429 5 20 IIBD COc1ccc(C[C@H](C)CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)cc1OC 536498133 RINFVGNEBSNQJJ-INIZCTEOSA-N 427.501 4.139 5 20 IIBD COc1cc(OC)cc(N2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)C2)c1 537156487 MIGASAAPHGBNNL-OAHLLOKOSA-N 445.541 4.121 5 20 IIBD COc1ccc(C[C@H](NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1OC 539258650 AHTHCUUINPRDMV-QFIPXVFZSA-N 449.507 4.148 5 20 IIBD COc1ccc(C(=O)NCC(=O)Nc2ccccc2SC2CCCC2)cc1[N+](=O)[O-] 542076905 UKOPOBFZWZKKHS-UHFFFAOYSA-N 429.498 4.007 5 20 IIBD Cc1c(Br)cc(C(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] 542559593 DXGLBCXZIODRCW-CRAIPNDOSA-N 437.265 4.455 5 20 IIBD O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 542692253 ATCVQWMWVJRUCU-UHFFFAOYSA-N 432.395 4.263 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)NCCCc2nc(-c3ccc(F)cc3)no2)cc1[N+](=O)[O-] 543179369 RDWNLXINXFGDTN-CQSZACIVSA-N 427.436 4.085 5 20 IIBD COc1ccc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(Br)c1O 544944061 ZYDWATOYCYJFAF-UHFFFAOYSA-N 437.290 4.115 5 20 IIBD CN(CCC1CCN(c2ccncc2)CC1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F 546556408 QHLHAXNBTNJOTA-UHFFFAOYSA-N 428.508 4.172 5 20 IIBD CCN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@@H]1CCN(Cc2ccccc2)C1 546889956 XYQZFRYYIZCDTO-JOCHJYFZSA-N 439.559 4.278 5 20 IIBD CC1CCN(c2ccc(-c3nc(-c4cccc(-n5cccn5)n4)no3)cc2[N+](=O)[O-])CC1 547162942 IJWKHBGESITWBZ-UHFFFAOYSA-N 431.456 4.129 5 20 IIBD Cc1ccc(NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1OC(C)C 551741512 AGEMMVOXVQNJCT-UHFFFAOYSA-N 436.262 4.030 5 20 IIBD Cc1cc(Sc2ncccn2)ccc1NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 553643707 XTXGGJSKWSAQLG-UHFFFAOYSA-N 425.470 4.045 5 20 IIBD COc1ccccc1[C@H](CN[C@H](c1ccc([N+](=O)[O-])cc1)c1nccn1C)N1CCCCC1 560518701 RYTHOTHPESSKBS-LADGPHEKSA-N 449.555 4.243 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCCC(F)(F)C1 560957330 OMRZEDPEQRAHJG-CYBMUJFWSA-N 430.473 4.195 5 20 IIBD O=[N+]([O-])c1cc2c(c(-c3nc([C@H](F)c4ccc(C(F)(F)F)cc4)no3)c1)OCCO2 574239095 NXMABJWBJMLKOZ-CQSZACIVSA-N 425.294 4.494 5 20 IIBD C[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(Oc2cccnc2)cc1 578393684 MDZSKLFVVPTITH-INIZCTEOSA-N 429.436 4.459 5 20 IIBD C[C@@H](CCc1ccc(O)cc1)NCc1cc(I)cc([N+](=O)[O-])c1 580635698 CUGRBVVNQWSATF-LBPRGKRZSA-N 426.254 4.016 5 20 IIBD O=C(N[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1)c1ccc(Br)cc1[N+](=O)[O-] 584685199 NWPSYWCZBQAFRO-DOTOQJQBSA-N 441.228 4.365 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1Sc1nnc([C@@H](C)N2CCCCC2)n1-c1ccccc1 588810797 CWEXWTSDQUARKT-OAHLLOKOSA-N 441.561 4.398 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2cccc(OCc3ccccc3)n2)no1 590282234 UMRGWXKLMGLTLU-OAHLLOKOSA-N 445.435 4.110 5 20 IIBD Cc1c(C(=O)N[C@H](c2ccc(F)cc2)c2cccs2)nnn1-c1cccc([N+](=O)[O-])c1 591714217 MTCYQVTYSKYDMM-HXUWFJFHSA-N 437.456 4.204 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F 602074233 NRXLQMCTRKDKIY-UHFFFAOYSA-N 443.403 4.071 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 603501593 STXSGLMBVKDFHD-INIZCTEOSA-N 431.514 4.027 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(NCc3cccc(NC(=O)c4ccc(F)cc4)c3)cc2N1 603871256 FRBJQPHKXOQZAE-UHFFFAOYSA-N 434.427 4.483 5 20 IIBD O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 603904713 QOQAQYFHNVJYLR-UHFFFAOYSA-N 449.858 4.293 5 20 IIBD Cc1sc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)nc1-c1cccc([N+](=O)[O-])c1 603997398 ZEYXYZSKJFUPJV-CQSZACIVSA-N 440.456 4.157 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)cc2)C[C@H](C)O1 604022203 LLDYYRBPLPFVBU-HOTGVXAUSA-N 439.512 4.394 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 604037836 RKUNEIXAXFUKAP-UHFFFAOYSA-N 435.889 4.266 5 20 IIBD COc1cc(CCNC(=O)c2csc(-c3ccccc3Cl)n2)c([N+](=O)[O-])cc1OC 608956347 KEOJMCJBBCTSSM-UHFFFAOYSA-N 447.900 4.361 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 609027617 ZJUHHKBUVPFVQX-UHFFFAOYSA-N 425.182 4.177 5 20 IIBD Cc1nc2c(s1)[C@H](N(C)C(=O)c1ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc1)CCC2 609508501 CYYHJVRIUJHQGQ-LJQANCHMSA-N 439.541 4.371 5 20 IIBD CC(C)(Cc1ccc(Br)cc1)NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609762500 WZOUIAIYFWKDMU-UHFFFAOYSA-N 444.285 4.362 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCN(c2ccc(O)cc2)CC1 609773958 LYCQNDUPZYHZSG-UHFFFAOYSA-N 434.452 4.447 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 609789201 IHQCIVKHXTVGOF-BEFAXECRSA-N 443.525 4.022 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 610046673 WZCUVDAPIUINNA-IBGZPJMESA-N 443.931 4.240 5 20 IIBD O=C(NCC1(c2ccccc2Br)CC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 610156059 PIRCMJHRADUDKZ-UHFFFAOYSA-N 441.285 4.005 5 20 IIBD O=C(c1ccc(S(=O)(=O)Cc2ccccc2)cc1)N1CCCc2ccc([N+](=O)[O-])cc21 610157211 MHRBSXOENLFYGC-UHFFFAOYSA-N 436.489 4.162 5 20 IIBD O=C(NCc1ccc(Oc2ccccc2F)c(F)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 610235276 YEQKJWUPVCBDTP-UHFFFAOYSA-N 428.347 4.324 5 20 IIBD O=[N+]([O-])c1ccc2ncnc(NC[C@H](c3ccc(C(F)(F)F)cc3)N3CCOCC3)c2c1 611711118 RTBBOBCGIPWXGP-LJQANCHMSA-N 447.417 4.042 5 20 IIBD COc1cc(OC)c(C2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)CC2)c(OC)c1 612611023 OUDSOODEDZWHAA-UHFFFAOYSA-N 433.436 4.171 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 617761745 KDSRJJUAJJAHDU-ZHRRBRCNSA-N 434.496 4.101 5 20 IIBD CC(C)(C)OC(=O)N1CCC(C(=O)NCc2ccccc2[N+](=O)[O-])(c2ccccc2)CC1 727141961 SSAIJHQYQFZRGU-UHFFFAOYSA-N 439.512 4.180 5 20 IIBD COc1ccc(CC(=O)O[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1[N+](=O)[O-] 727882970 KCSPKKSNWKISNW-JOCHJYFZSA-N 438.411 4.208 5 20 IIBD C[C@H](c1ccco1)N(C(=O)c1ccc(I)c([N+](=O)[O-])c1)C1CC1 728152104 PNYUWGOJFZMNDZ-SNVBAGLBSA-N 426.210 4.158 5 20 IIBD Cc1nc(-c2ccccc2)[nH]c1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 728727074 IECLGZBOGRRYGO-GFCCVEGCSA-N 428.832 4.131 5 20 IIBD CCN(Cc1c(F)cccc1F)C(=O)c1ccc(I)c([N+](=O)[O-])c1 730488019 CZRWIOQUTZXMFN-UHFFFAOYSA-N 446.191 4.140 5 20 IIBD Cc1cc(C(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)cc(C)c1OC(F)F 730926430 UWUAUNPOWXWUOZ-UHFFFAOYSA-N 435.427 4.281 5 20 IIBD CC(C)COc1ccccc1C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 731414429 RSOOWMJXHLNIRR-KRWDZBQOSA-N 426.469 4.091 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(/C=C\c3ccnc(-c4cccc([N+](=O)[O-])c4)[n+]3[O-])cs2)c1 733084062 WIUVFKOKFLXFMC-FPLPWBNLSA-N 447.432 4.492 5 20 IIBD C[C@H](OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1ccc(OC(F)F)cc1 734725083 CSJVRMXTMJJHDF-SMDDNHRTSA-N 440.424 4.167 5 20 IIBD CCOc1ccc([C@@H]2CCCN2C(=O)COC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1 736866555 NIDIYKZVROMHCF-IBGZPJMESA-N 432.860 4.167 5 20 IIBD CC1CCN(c2ccc(NC(=O)CCC(=O)N3CCc4c3cccc4[N+](=O)[O-])cc2)CC1 737869891 JXHPGIXVWJPJKO-UHFFFAOYSA-N 436.512 4.139 5 20 IIBD Cc1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2Br)c2cnn(C(C)C)c2n1 739579094 FTILIECEKVXSFI-UHFFFAOYSA-N 433.262 4.348 5 20 IIBD COc1ccc(N(Cc2ccco2)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc1F 739632613 XVJOYFJQSGWMSG-UHFFFAOYSA-N 429.360 4.399 5 20 IIBD O=C(Nc1cccc(N2CCCCCC2)c1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 740800794 GQRFCRGZKNCBSO-INIZCTEOSA-N 440.475 4.106 5 20 IIBD NC(=O)[C@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(Br)cc1F 741475312 RTWDROCKUIYKBN-CYBMUJFWSA-N 442.291 4.425 5 20 IIBD CC(C)(C(=O)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2ccccc2c1 744001870 PFBPDJFIXPSGSA-UHFFFAOYSA-N 432.885 4.184 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@H](C)Oc3ccccc3F)CC2)ccc1[N+](=O)[O-] 744204878 RZLUTOOYDSMEDD-HNNXBMFYSA-N 432.448 4.112 5 20 IIBD O=C(O[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccc([N+](=O)[O-])cc1Cl 744481735 XSZSGZUCVXTZQJ-INIZCTEOSA-N 440.786 4.202 5 20 IIBD O=C(COC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1)Nc1cc(Cl)ccc1[N+](=O)[O-] 745741503 CWMBYAATUQMJJR-HNNXBMFYSA-N 447.658 4.160 5 20 IIBD O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)OCc1cc(Cl)ccc1[N+](=O)[O-] 746065102 YYYYQBXAXKFRML-UHFFFAOYSA-N 447.900 4.032 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c(Cc2ccccc2)c1 746176849 FQTQCHHZEVNAFV-UHFFFAOYSA-N 432.385 4.001 5 20 IIBD CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 747320836 QWPFMRMVUPVBFP-UHFFFAOYSA-N 448.545 4.341 5 20 IIBD CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)sc(C)c1CC 748605228 SZDOMTRWANCHJV-UHFFFAOYSA-N 435.458 4.481 5 20 IIBD O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1cc(Br)cc([N+](=O)[O-])c1Cl 749422199 QUSZDGINLSAXEE-LBPRGKRZSA-N 438.709 4.267 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1 752199964 DCUNDKUORUVTFE-UHFFFAOYSA-N 449.341 4.373 5 20 IIBD Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)sc2nc3n(c(=O)c12)CCCCC3 752982839 OUDTXJFXWMNPON-UHFFFAOYSA-N 432.889 4.307 5 20 IIBD O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1cc(F)cc([N+](=O)[O-])c1Br 754976900 LVODVTQPAOTFKZ-CQSZACIVSA-N 439.237 4.307 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCS[C@@H](c2ccccc2)C1 755012703 MVWNPZCRIJFFEF-OAHLLOKOSA-N 425.279 4.427 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cncc(-c2ccc(Cl)cc2)c1 758110190 JXOOATQAKOSVRH-UHFFFAOYSA-N 425.828 4.414 5 20 IIBD O=C(Cc1csc(Cc2ccc(F)cc2)n1)O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 759947082 KCLREBVYOBUPET-MSOLQXFVSA-N 444.488 4.247 5 20 IIBD COc1ccccc1C1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CCC1 760141951 MFPOTHQNKCNKSZ-UHFFFAOYSA-N 437.265 4.357 5 20 IIBD O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 762104593 ZCMUWAALVMOOTN-JKSUJKDBSA-N 445.863 4.154 5 20 IIBD O=[N+]([O-])c1cccc(Cc2nc(-c3ccc(CNc4ccc5nc(O)[nH]c5c4)cc3)no2)c1 762179394 YHFLVPREZSVHBT-UHFFFAOYSA-N 442.435 4.430 5 20 IIBD C[C@H](Sc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C)C(=O)Nc1ccc2ccccc2c1 762484425 MITIJNWJZNHUSK-ZDUSSCGKSA-N 434.477 4.114 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cc3ccccc3nc2Br)c1C 762504135 XPZWTFBZUUFGHX-UHFFFAOYSA-N 436.287 4.323 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)c1cc(F)c([N+](=O)[O-])cc1F 763421584 CXLWDFKRCKZKBZ-UHFFFAOYSA-N 436.367 4.097 5 20 IIBD C[C@@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1)c1ccccc1[N+](=O)[O-] 764588450 PYZGWICFDHAZEF-ACJLOTCBSA-N 447.285 4.266 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 765525416 DUVNMJJGUGFPAQ-JSGCOSHPSA-N 449.847 4.296 5 20 IIBD O=C(Nc1cccc(CNC(=O)c2cc(F)c([N+](=O)[O-])cc2F)c1)c1ccc(F)cc1 769486895 BHCDZNFNPZHXND-UHFFFAOYSA-N 429.354 4.194 5 20 IIBD CC[C@H](OC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)c1ccc(NC(C)=O)cc1 770159229 QQQBZVTYCQJNGJ-KRWDZBQOSA-N 449.257 4.134 5 20 IIBD O=C(Nc1cccc(CCN2CCCC2)c1)c1cc(F)cc([N+](=O)[O-])c1Br 770250374 HEFBCFCBABDGKT-UHFFFAOYSA-N 436.281 4.387 5 20 IIBD Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)c2c(C)noc2C)n1 771893492 PVYCUKZVSHZEED-UHFFFAOYSA-N 433.467 4.155 5 20 IIBD CC(C)(C)OC(=O)N1CCC(N(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C2CC2)CC1 774628400 UYKPAZGGRHEQLV-UHFFFAOYSA-N 449.939 4.419 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1sc(-c2ccccc2C)nc1C 775118316 MVEWRKWKSIMXAI-UHFFFAOYSA-N 425.466 4.439 5 20 IIBD O=C(OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCc2c(Cl)cccc21 776087370 UHIJPJSTHCKWGW-YOEHRIQHSA-N 428.872 4.126 5 20 IIBD CC[C@H]1C[C@H](OC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 779289382 DUFMYJDOBGCJND-FCHUYYIVSA-N 435.480 4.491 5 20 IIBD O=C(COC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)Nc1ccc(F)cc1F 781260634 SFLOJWIGPSLMTF-UHFFFAOYSA-N 444.340 4.033 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N[C@@H](COc1ccccc1)c1ccccc1 781631558 AMOBFVCXPVSDSH-NRFANRHFSA-N 435.436 4.372 5 20 IIBD O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 782377855 FLHVBERCNGZACH-LJQANCHMSA-N 435.402 4.084 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 783298124 IGUXOHGDFGGCPY-KRWDZBQOSA-N 433.848 4.293 5 20 IIBD O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cnc(OCC2CC2)c(Cl)c1 784011885 JKKTYSYZUANFMJ-UHFFFAOYSA-N 429.816 4.444 5 20 IIBD COC(=O)Nc1cc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)ccc1F 786086022 ZXMOQTZIYDCJNQ-UHFFFAOYSA-N 426.198 4.235 5 20 IIBD O=C(OCc1nc(CC(F)(F)F)no1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 787250652 AHAKRNFGJBWDPD-UHFFFAOYSA-N 437.330 4.019 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC(COc2ccc(Cl)nc2)CC1 788789277 FGMPYKUDLDEAOZ-UHFFFAOYSA-N 444.919 4.175 5 20 IIBD O=[N+]([O-])c1ccc(CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)c([N+](=O)[O-])c1 789697819 VLPYEFJSZFFSBO-CQSZACIVSA-N 447.498 4.294 5 20 IIBD COc1cc(Cl)c(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 792640439 CNEAKBXDEVGWIJ-SECBINFHSA-N 442.230 4.041 5 20 IIBD CC(C)c1ccc(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2c2nccn2C)cc1[N+](=O)[O-] 793613177 JYDUGIDPHUAUPO-FQEVSTJZSA-N 443.548 4.246 5 20 IIBD COC(=O)c1nc([C@@H]2CCCN2Cn2c(=S)oc3ccc([N+](=O)[O-])cc32)sc1C 794663745 OCGNDFDAGCOXEZ-LBPRGKRZSA-N 434.499 4.218 5 20 IIBD O=C(NC[C@H]1CCCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1)OCc1ccccc1 794675184 VRIPWMQVADYJTE-HXUWFJFHSA-N 449.511 4.054 5 20 IIBD COCc1nc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1 799595933 WLUQUPGUZJHZJK-ZDUSSCGKSA-N 441.465 4.049 5 20 IIBD Cc1cc(COC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)ccc1Br 800119545 ANBWOPLQMUKVAQ-UHFFFAOYSA-N 449.257 4.097 5 20 IIBD Cc1[nH]c2ccccc2c1C1=CCN(C(=O)C(=O)Nc2c(F)ccc([N+](=O)[O-])c2C)CC1 800599408 DHKGGAZNDGMHDG-UHFFFAOYSA-N 436.443 4.086 5 20 IIBD Cc1cn(-c2ccc(F)cc2)nc1C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 801450868 AIFISLIITZCVFN-GFCCVEGCSA-N 446.822 4.065 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C(C)(C)C1 801514320 YUJGKOYZDFEQGS-NRFANRHFSA-N 449.551 4.447 5 20 IIBD O=C(NC[C@@H](O)c1cccc(Br)c1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 801705118 JNZTURFFJYGKST-CQSZACIVSA-N 448.195 4.231 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)O[C@@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)c1F 803460572 JXDVXMZOCCCBPZ-NSHDSACASA-N 426.803 4.039 5 20 IIBD O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)OCc1ccc(Cl)cc1[N+](=O)[O-] 803760671 MZBMQXSPRPEVCA-UHFFFAOYSA-N 432.281 4.199 5 20 IIBD CN(Cc1nc([C@@H]2CCOc3ccccc32)no1)c1cc(Br)ccc1[N+](=O)[O-] 809406244 UTCAAYGWAWMWEY-CQSZACIVSA-N 445.273 4.291 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C2)C1 817642633 XVHUVJCQWZAMSC-HZPDHXFCSA-N 435.496 4.233 5 20 IIBD O=C(CCOC[C@H]1CCCO1)Nc1cc(Cl)c([N+](=O)[O-])cc1OCc1ccccc1 915829713 ZDMPRRFXCQAIAX-MRXNPFEDSA-N 434.876 4.351 5 20 IIBD Cc1ccc(CNC(=O)c2cccc(CNC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)c2)cc1 916067919 FHQPEUKGBMOJHR-KAMYIIQDSA-N 429.476 4.163 5 20 IIBD O=C1/C(=C\c2cc([N+](=O)[O-])ccc2Cl)NC(=S)N1c1ccc(OC(F)(F)F)cc1 917611387 BSBJLHIPRJHQME-RIYZIHGNSA-N 443.790 4.409 5 20 IIBD O=C(NCc1cc2ccccc2s1)c1cc([N+](=O)[O-])ccc1I 920465531 UZHHCBWVRCRWAA-UHFFFAOYSA-N 438.246 4.344 5 20 IIBD COC(=O)[C@H](OC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccccc1 920548835 ULVJDXFCXZJGNM-QVKFZJNVSA-N 435.436 4.234 5 20 IIBD Cc1ccc(-n2cnnc2SCC(=O)Oc2cc(Cl)ccc2[N+](=O)[O-])cc1Cl 921136457 IDTFJDRURMMZOL-UHFFFAOYSA-N 439.280 4.488 5 20 IIBD O=[N+]([O-])c1ccccc1OCc1nnc(-c2nccnc2-c2nc3ccccc3s2)o1 1117215019 RRDFKMCKIFROMB-UHFFFAOYSA-N 432.421 4.291 5 20 IIBD COc1ccc(Cl)cc1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 1319193713 BNQIEDBQEJHOOO-UHFFFAOYSA-N 431.645 4.131 5 20 IIBD O=c1c2snc(-c3ccccc3)c2ncn1Cc1ccc([N+](=O)[O-])cc1Br 1324138148 CPWOZQGZUROBAJ-UHFFFAOYSA-N 443.282 4.239 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@@H]3C[C@]3(F)Cl)CCC2)cc1)c1cc(F)cc([N+](=O)[O-])c1 1790699488 ROBXGGUSKNXKQL-LAUBAEHRSA-N 449.841 4.406 5 20 IIBD Cc1cc(Cl)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(F)cc([N+](=O)[O-])c2)c1 1800525767 MKMUSXBFZHOBCV-REPLKXPHSA-N 445.878 4.261 5 20 IIBD CC[C@H](C)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)[nH]n1 1815045215 LWSVAVFKDBPVQB-UGSOOPFHSA-N 431.468 4.199 5 20 IIBD CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(F)c3[N+](=O)[O-])CC2)CCC1 1823709241 APMWVOBXOLHGQB-LJQANCHMSA-N 431.508 4.157 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCCCN2C(=O)C2=CCCC2)CC1 1826270815 PSXUSQDRMITWGC-QHCPKHFHSA-N 439.556 4.257 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=CCCC2)CC1 1830729363 LFOOPYDHUADNSW-NRFANRHFSA-N 443.519 4.386 5 20 IIBD CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccc(Br)c([N+](=O)[O-])c1 9849040 MSHYFVBXEUCVFD-UHFFFAOYSA-N 449.301 4.341 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)c([N+](=O)[O-])c1 11025715 GTBJINNUXHVDKH-FQEVSTJZSA-N 435.392 4.348 5 20 IIBD CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 16147575 ZQMNXHZNFHXXIK-UHFFFAOYSA-N 435.683 4.210 5 20 IIBD C[C@@H](OC(=O)c1ccc(CN2CCCCC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 16402089 ZSFFFNPKZLSOFJ-OAHLLOKOSA-N 445.903 4.418 5 20 IIBD C[C@H](OC(=O)c1cccc(Cl)c1N)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 18404623 VPSXVHYZDQDPDI-QMMMGPOBSA-N 431.754 4.033 5 20 IIBD C[C@@H](OC(=O)c1csc(-c2ccc(F)cc2)n1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 19617190 ZAGSTRWKCSNJIR-SNVBAGLBSA-N 433.392 4.181 5 20 IIBD CC[C@H](C)c1ccc(N(CC(=O)N[C@H](C)CC)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 22353053 YLACUAZRYQPGGA-DLBZAZTESA-N 447.557 4.218 5 20 IIBD CN(Cc1cccs1)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 22823946 QVZZGAKRVSCFTH-UHFFFAOYSA-N 439.493 4.084 5 20 IIBD Cc1c(NC(=O)[C@H](C)Sc2nnc(C3CC3)n2Cc2ccco2)cccc1[N+](=O)[O-] 23610532 WUDJMRVEPHMUGO-ZDUSSCGKSA-N 427.486 4.133 5 20 IIBD Cc1ccc2nc([C@H]3CCCN3C(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)[nH]c2c1 61228756 BWXRRPPGJDCMBT-HXUWFJFHSA-N 430.468 4.157 5 20 IIBD CC(C)c1ccc(CNCc2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)cc1[N+](=O)[O-] 63561010 GNDFRBDUNCMNDX-HDICACEKSA-N 425.529 4.257 5 20 IIBD COC(=O)c1ccc(N2CCCC2)c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 64783334 GIICXKQCLFURDG-CYBMUJFWSA-N 447.875 4.041 5 20 IIBD O=C(NCCc1ccccc1)c1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1 65126852 QJCQIVJRKTYEEF-UHFFFAOYSA-N 428.448 4.301 5 20 IIBD Cc1cc(Br)ccc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 110323649 MRRWKUFYJHRENG-SFHVURJKSA-N 446.301 4.217 5 20 IIBD Cc1cc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc([N+](=O)[O-])c1 195690616 ZWXJORTWKRSKGU-UHFFFAOYSA-N 429.782 4.286 5 20 IIBD C[C@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1ccc(NC(=O)NC2CC2)cc1 301093290 LNWCLMSGPSVAPN-AWEZNQCLSA-N 448.483 4.016 5 20 IIBD Cn1ccnc1C(=O)c1ccc(Nc2cccc(OCc3cccnc3)c2)c([N+](=O)[O-])c1 301222910 DDTYOHHTABZLLZ-UHFFFAOYSA-N 429.436 4.277 5 20 IIBD Cc1cnc([C@H](Nc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])C2CC2)s1 301350625 JWDYFYWKMBSYJK-GOSISDBHSA-N 436.559 4.098 5 20 IIBD COc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)cc1Br 301370475 SHRNRLSUCZWPBV-NSHDSACASA-N 436.262 4.496 5 20 IIBD C[C@H](Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1cccc(-n2cccn2)c1 301433231 PWTPZQROPSPJGO-AWEZNQCLSA-N 436.859 4.153 5 20 IIBD Cc1cccc(C2(CNC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)CCCC2)c1 303413343 APNWCCAYRCEMMK-GOSISDBHSA-N 441.553 4.198 5 20 IIBD COc1ccc(S(=O)(=O)Nc2nc3c(s2)C[C@@H](c2ccccc2)CC3)c([N+](=O)[O-])c1 409573435 APOGHTPQJJLSPV-AWEZNQCLSA-N 445.522 4.133 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2 409576697 OSSDOOMRPBFMTJ-HNNXBMFYSA-N 429.523 4.433 5 20 IIBD O=C(O)C[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cnn(-c2ccccc2)c1 426728925 YQZFFGGBAQQIKM-FQEVSTJZSA-N 432.436 4.346 5 20 IIBD COc1cc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2OC)ccc1OCc1ccncc1 426848247 MQZNBYVWAZJBJV-OAHLLOKOSA-N 437.452 4.077 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCS[C@@H]2COCC[C@H]21 427276545 OXDQKPMTSKOHIJ-VQIMIIECSA-N 434.901 4.387 5 20 IIBD CCC[C@H](C)N(C(=O)c1ccc([N+](=O)[O-])cc1OC)c1nc(C)c(C(=O)OCC)s1 427604751 RLKZHGSWEAKTLX-LBPRGKRZSA-N 435.502 4.380 5 20 IIBD Cc1cc(OCC(=O)N[C@H](c2ccccc2OC(F)F)C(F)(F)F)ccc1[N+](=O)[O-] 430832399 GZENMYZHHILBEW-MRXNPFEDSA-N 434.317 4.303 5 20 IIBD O=[N+]([O-])c1ccc(N2CCO[C@@H](c3ccccc3)C2)nc1N1CCO[C@H](c2ccccc2)C1 433608395 KBEABHPKDKMDND-PKTZIBPZSA-N 446.507 4.146 5 20 IIBD CCCCCS(=O)(=O)CC(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435449919 XGDCCUPHUMXUPM-UHFFFAOYSA-N 428.557 4.351 5 20 IIBD CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1cccc([N+](=O)[O-])c1O 436704274 GUIHQXALFNNMSM-UHFFFAOYSA-N 426.256 4.098 5 20 IIBD O=C(Nc1cc(CSCCO)ccn1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 438354150 DATSALOFQBBKEV-UHFFFAOYSA-N 425.466 4.260 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2CCC([C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 438894997 IGYBOARYGUJKQV-QFIPXVFZSA-N 438.480 4.008 5 20 IIBD COc1ccc([C@H](C)N(C)S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1 439248420 QJNIJIKOJCOHAM-LBPRGKRZSA-N 443.319 4.056 5 20 IIBD O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1C[C@H](n2cccn2)Cc2ccccc21 439257725 LNESKPAOZGHBSV-LJQANCHMSA-N 425.448 4.298 5 20 IIBD C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 441083391 DLNZMECSPCFAAV-VXGBXAGGSA-N 428.436 4.277 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)NCc1ccc(-c2nc3ccccc3s2)o1 444848413 MLKJXAWQIPDSIS-UHFFFAOYSA-N 448.464 4.340 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CNc2ncn(CC(F)(F)F)n2)cc1 446874067 BEOPZUWDINDHKC-UHFFFAOYSA-N 427.770 4.806 5 20 IIBD O=[N+]([O-])c1cccc(CN(c2nnc([C@H]3CCOC3)n2CCc2ccccc2)C2CC2)c1 460426378 JWLGVTUIVNFVAE-FQEVSTJZSA-N 433.512 4.102 5 20 IIBD O=C(c1ccccc1)c1cc(F)c(F)cc1C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 461408952 STQYVRQSILCZTN-UHFFFAOYSA-N 438.386 4.139 5 20 IIBD CCN(c1ccccc1)c1ccc(CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])cc1 462908175 WVGLGRYWPCBGBO-UHFFFAOYSA-N 426.498 4.012 5 20 IIBD O=C1NCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]1c1c(F)cccc1Cl 463054816 HRGAKMWILPNISB-SFHVURJKSA-N 446.891 4.184 5 20 IIBD CCO[C@@H](C)c1noc(CN(C)c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])n1 463070480 NYJBRKFGDKADGE-HNNXBMFYSA-N 439.472 4.272 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2cccc(CC(F)(F)F)c2)ccc1[N+](=O)[O-] 464419114 COMXCNFKFHAKOP-SFHVURJKSA-N 435.402 4.251 5 20 IIBD COc1cc(CCNC(=O)N(C)[C@@H]2CCC[C@@H]2c2ccc(C)cc2)c([N+](=O)[O-])cc1OC 465602266 RLPWEZDKRZVITG-WOJBJXKFSA-N 441.528 4.441 5 20 IIBD CCn1c(S[C@@H](C)C(=O)NCC(=O)c2ccccc2)nc2cc3ccccc3cc2c1=O 466616090 BOAWXBHPEFQQGU-INIZCTEOSA-N 445.544 4.049 5 20 IIBD CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C(C)(C)C1 466724332 GMVIJNXJUKGRQC-UHFFFAOYSA-N 447.944 4.482 5 20 IIBD CC(=O)N(C)C1CCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CC1 466823035 OXYVYNOTDJABMT-UHFFFAOYSA-N 447.944 4.482 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1cc(F)ccc1Br 466909517 LDOJPZHRZBBBFA-UHFFFAOYSA-N 432.043 4.440 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1C[C@@](C)(OC)C1(C)C 467019685 BRMIJEXAMOETOD-PZJWPPBQSA-N 449.529 4.020 5 20 IIBD O=C(Nc1cc(Cl)ccc1OCC1CCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 468184406 VNXHBQCWVYFOMG-UHFFFAOYSA-N 427.848 4.260 5 20 IIBD CSc1ccc(C(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1[N+](=O)[O-] 468605833 DBHXLWJCWKHTTJ-UHFFFAOYSA-N 449.286 4.059 5 20 IIBD O=C(NCc1ccccc1-c1ccc(Cn2cncn2)cc1)Nc1cc(F)cc([N+](=O)[O-])c1 470153437 SVYRVDHTFQRLHN-UHFFFAOYSA-N 446.442 4.362 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@H](CN(C)CC3CC3)C2)c([N+](=O)[O-])c1 470979103 YKOLGJDMUWKWGJ-YKSBVNFPSA-N 436.556 4.247 5 20 IIBD COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)ccc1Br 471503419 MGKNZGXFFVKZAP-UHFFFAOYSA-N 430.052 4.381 5 20 IIBD O=[N+]([O-])c1cc(F)cc(NS(=O)(=O)c2c(Cl)cc(F)cc2Br)c1 475840811 ZKFQSZHQUMWRED-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD Cc1ccc(-c2cccnc2)cc1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 477577658 QPOJHLRHTVUACL-UHFFFAOYSA-N 446.492 4.497 5 20 IIBD Cc1cc(Br)c(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)s1 478339177 KJUPLMURXVIBNN-UHFFFAOYSA-N 431.333 4.081 5 20 IIBD COc1cccc(OC)c1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1Nc1ccccc1 479477839 DVAYJJCCDFBIQQ-UHFFFAOYSA-N 429.454 4.156 5 20 IIBD CCn1c(SC[C@H](O)COCc2ccc(Cl)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 480372960 UDMXYTNFGRXCRE-GOSISDBHSA-N 448.932 4.196 5 20 IIBD O=C(N[C@H](CO)Cc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 483115620 MPWUDGWFOIXLFR-KRWDZBQOSA-N 426.469 4.219 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C2CC2)cc1OC 484236451 UYRAFZGBZAVGRY-HNNXBMFYSA-N 428.485 4.452 5 20 IIBD CSc1cccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1[N+](=O)[O-] 485494872 RMQHMMHTWLFUGW-UHFFFAOYSA-N 425.432 4.298 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc3cc(Br)ccc3o2)c(C)c([N+](=O)[O-])c1 485951851 CLEYILQCUBCRDG-UHFFFAOYSA-N 433.214 4.451 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)c(C)c([N+](=O)[O-])c1 485976828 JSMNUUPYVHHXPJ-UHFFFAOYSA-N 428.372 4.253 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCC[C@@H](Oc4ncccc4F)C3)cc2[N+](=O)[O-])CC1 486591693 CJABDLXOJXIPTH-GOSISDBHSA-N 442.491 4.049 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CCCCC2=O)c1 486679084 YPLFEVPXAZDGSX-UHFFFAOYSA-N 443.525 4.098 5 20 IIBD Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(F)cc2Br)cc1[N+](=O)[O-] 488097406 UICQRRRRZJZQLF-NWDGAFQWSA-N 425.254 4.450 5 20 IIBD CCOc1cc(CN2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)ccc1[N+](=O)[O-] 492515870 SJWZFJUBNGUYBK-LJQANCHMSA-N 426.517 4.336 5 20 IIBD COc1cccc(CN(C[C@@H]2CCCO2)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 493007176 XNPDIJPMUDIUJH-UTKZUKDTSA-N 427.501 4.364 5 20 IIBD C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(NC(=O)NC2CC2)cc1 497824538 LTQFGOGFTOOTCU-LLVKDONJSA-N 447.289 4.132 5 20 IIBD CCC1CCC(N(C)C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 499556956 GVKJJVHACASSAD-UHFFFAOYSA-N 445.541 4.436 5 20 IIBD O=C1C[C@@H](Nc2cccc(OCc3cccc(F)c3)c2)C(=O)N1c1cccc([N+](=O)[O-])c1 500302591 KWUCZAKABNHYJV-OAQYLSRUSA-N 435.411 4.057 5 20 IIBD CCc1sc(NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)nc1-c1ccccc1 501759778 NZJOAEZBKVGXMP-UHFFFAOYSA-N 434.481 4.422 5 20 IIBD Cc1cc(=N[C@H](C)c2ccc(-n3c(C)cnc3O)cc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 502313172 WKVAHYMDQIJCAZ-MRXNPFEDSA-N 430.468 4.155 5 20 IIBD O=C(c1csc(Cc2cccc(F)c2)n1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 503354718 GDMPGUWXGJQFOM-UHFFFAOYSA-N 441.484 4.465 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1 504056805 HTCJLUWRJGIQNG-UHFFFAOYSA-N 445.522 4.038 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1nc2c(s1)CCCCCC2 508325464 NXOOJLLWQIWBEG-UHFFFAOYSA-N 430.486 4.037 5 20 IIBD CCOc1cc(C(=O)Nc2nn(-c3ccc(Cl)cc3)cc2C)c([N+](=O)[O-])cc1OC 508680151 ORGLBRQYHVJHRH-UHFFFAOYSA-N 430.848 4.402 5 20 IIBD COc1ccc(CN(C)CC(=O)Nc2ccccc2)cc1OCc1ccc([N+](=O)[O-])cc1 509562263 ZMLMYTJJXXJPBO-UHFFFAOYSA-N 435.480 4.253 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])CC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 511138269 NNUHXGBZTDENOJ-QFIPXVFZSA-N 427.501 4.176 5 20 IIBD CC(C)N(CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)Cc1ccc([N+](=O)[O-])cc1 513386716 OYUDORWVKZKWOB-HXUWFJFHSA-N 436.468 4.369 5 20 IIBD C[C@H](Sc1nnc(COc2ccc(Cl)cc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 514295420 KMXVJQHDDQGJKQ-NSHDSACASA-N 434.861 4.330 5 20 IIBD C[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1nc2ccccc2n1C(F)F 514500301 ZXCKLXXFCBVVRE-LBPRGKRZSA-N 426.383 4.016 5 20 IIBD C[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1cccc(OCc2ccccn2)c1 515968767 VKGIFUSPWYPLQY-QGZVFWFLSA-N 443.463 4.246 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(OC(C)C)cc2C(F)(F)F)cc1[N+](=O)[O-] 517924171 UWNBVKAUXMRCLA-UHFFFAOYSA-N 434.392 4.210 5 20 IIBD O=C(NCc1cccnc1Oc1cccc(F)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 520012454 RNQBVPYHKAJAJI-UHFFFAOYSA-N 433.399 4.037 5 20 IIBD C[C@H](c1ccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1)N1CCOCC1 520361123 IXOTUVVRBMWIDP-OAHLLOKOSA-N 438.509 4.364 5 20 IIBD CCOC(=O)c1ccnc(Sc2nnc(Nc3ccccc3OCC)s2)c1[N+](=O)[O-] 523110982 QREVYBOAMTZAOW-UHFFFAOYSA-N 447.498 4.312 5 20 IIBD COc1ccc(CC[C@H]2CCCCN2S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1OC 523541353 PCBUUCFDYMAVDZ-GOSISDBHSA-N 448.541 4.096 5 20 IIBD CC[C@@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1I)c1nc(C)cs1 525067962 UFSFVTVHXRUHOT-OAHLLOKOSA-N 445.282 4.020 5 20 IIBD COc1cccc([C@H](C)N2CCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC2)c1 533425361 BLORMJUHZNZSLN-SFHVURJKSA-N 436.512 4.180 5 20 IIBD Cc1c(Cl)cccc1NC(=O)[C@H](C)[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534061806 VTVCCVPHLJBXPP-GNDSEDMPSA-N 447.900 4.488 5 20 IIBD O=C(Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)c1c[nH]c2cccc([N+](=O)[O-])c12 534250337 YPHGKSJMYLNYLY-UHFFFAOYSA-N 449.488 4.443 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(Cl)c1Cl 534948899 KQYXINBMMYCCIZ-UHFFFAOYSA-N 443.308 4.487 5 20 IIBD COc1cc(S(=O)(=O)Nc2ccc3[nH]c(-c4cccs4)nc3c2)ccc1[N+](=O)[O-] 535388163 HJXKLVSKBCCHJG-UHFFFAOYSA-N 430.467 4.009 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N2CCCC[C@@H]2c2nc3ccccc3o2)c([N+](=O)[O-])c1 535628948 MHGQQZQZLYDINZ-GOSISDBHSA-N 431.452 4.432 5 20 IIBD C[C@H](c1ccco1)N(C(=O)c1cc(I)cc([N+](=O)[O-])c1)C1CC1 535734798 GBPYUMIWAVHRNL-SNVBAGLBSA-N 426.210 4.158 5 20 IIBD CCC[C@H](NC(=O)C[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 536305720 PTXPCDQAOZJVEU-PKHCJMHPSA-N 441.509 4.156 5 20 IIBD Cc1ncc(-c2ccccc2)cc1NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 536318311 AOKXKQBVLRSEES-GOSISDBHSA-N 436.493 4.270 5 20 IIBD Cn1cc(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 539155336 UUXINRANUDVFGB-ICSRJNTNSA-N 444.850 4.048 5 20 IIBD CCc1ccc([C@@H](CO)NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 539989017 CUGUSLLUGNSVMU-OPAMFIHVSA-N 434.496 4.189 5 20 IIBD O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 540759604 ZVPGCUXYPPAKBM-UHFFFAOYSA-N 426.392 4.236 5 20 IIBD C[C@H](O)C[C@H](C)NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 543098853 ULJXBOKWLLHJRE-BWPQUKDSSA-N 425.510 4.411 5 20 IIBD CS(=O)(=O)N1CCc2c(NCc3ccc(-c4ccccc4[N+](=O)[O-])s3)cccc21 543644074 BOMLJEXVOIYHDU-UHFFFAOYSA-N 429.523 4.258 5 20 IIBD Cn1ccnc1[C@H](NCc1cccc(COCC(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 552063235 UBDXHGAXVCCOCZ-LJQANCHMSA-N 434.418 4.286 5 20 IIBD COC(=O)c1cc(C)nc(NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)n1 553431687 VYTBBFDEMWJLMC-UHFFFAOYSA-N 446.822 4.677 5 20 IIBD Cc1c(Cl)cccc1N1CCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 556471918 XPHZXRZZWLCDMY-UHFFFAOYSA-N 439.903 4.095 5 20 IIBD CCOC(=O)c1cc(NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)c(F)cc1C 556479076 WWZQISVGQVZAOE-UHFFFAOYSA-N 436.461 4.100 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCC[C@](O)(C(F)(F)F)CC1 561257724 WWNLHAHXJCIABI-HXUWFJFHSA-N 437.418 4.126 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCc1ccc(Cn2cnc3ccccc32)cc1 561519638 VAFHDYXXRHVIHD-UHFFFAOYSA-N 443.507 4.377 5 20 IIBD COc1cc(CN2CC[C@H](C3CCN(C)CC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 573407439 NWECTCFUZUIEIR-QFIPXVFZSA-N 439.556 4.346 5 20 IIBD Cc1ccc([C@H](c2noc(CSc3ccc(C(N)=O)cc3[N+](=O)[O-])n2)C(C)C)cc1 574000553 HUHSLEFEMNRXIB-LJQANCHMSA-N 426.498 4.465 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N2CCCO[C@@H](C(C)C)C2)cc1[N+](=O)[O-] 577242420 BNRVCYPOIDWUKP-HXUWFJFHSA-N 442.537 4.435 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1 578934071 YSSZHCRYZKAUIJ-UHFFFAOYSA-N 428.432 4.052 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCCN4c5ccccc5C[C@H]4C3)cc2[N+](=O)[O-])CC1 579046813 BXCIPSWZQMENRA-NRFANRHFSA-N 434.540 4.108 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCN[C@@H](c2ccccc2Cl)C1 586824220 QTAAIQHTFZYPNJ-QGZVFWFLSA-N 438.709 4.106 5 20 IIBD O=C(Cn1ccc(=O)c2cc(Oc3ccccc3)ccc21)N1CCc2ccc([N+](=O)[O-])cc21 589266306 JEVSTTCKJMWWPR-UHFFFAOYSA-N 441.443 4.291 5 20 IIBD O=[N+]([O-])c1ccccc1CN(c1nnc(CCc2ccccc2)n1C[C@@H]1CCOC1)C1CC1 589671224 ODQGHIPYJWTVKA-FQEVSTJZSA-N 447.539 4.177 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(-c2ccc(F)cc2Cl)n1 590409056 XETZRUFGLSGYIU-LBPRGKRZSA-N 442.834 4.206 5 20 IIBD CCC(C)(C)NC(=O)c1ccc(NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)cc1 603987433 PJEFPKRBTOBDQQ-UHFFFAOYSA-N 445.541 4.394 5 20 IIBD O=C(NCCOC1CCCCC1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 604192937 OIOOWNFPOGWCCD-UHFFFAOYSA-N 443.466 4.296 5 20 IIBD O=C(NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 604468254 VQJGIDFCCMFZGD-LBPRGKRZSA-N 440.834 4.498 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC=C(c2c[nH]c3ccc(OC)cc23)CC1 604476010 BTTHZXVEHXMLFK-UHFFFAOYSA-N 441.509 4.125 5 20 IIBD CN(C)[C@@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1ccccc1Cl 608830670 AQAJDYYJVACSDY-SFHVURJKSA-N 448.310 4.162 5 20 IIBD O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 608948666 OKOURCKIIRGKOL-UHFFFAOYSA-N 430.386 4.261 5 20 IIBD COc1ccc(CC(=O)Nc2cc(Br)ccc2Br)cc1[N+](=O)[O-] 609010642 PHGDRHIXJHXSEF-UHFFFAOYSA-N 444.079 4.310 5 20 IIBD Cc1nc(-c2ccc(NS(=O)(=O)c3ccc(Br)cc3[N+](=O)[O-])cc2)co1 609128410 XJLMOBRLUJMHPB-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@@H]3C[C@@H]3c3c(F)cccc3F)cc2)c(C)c1[N+](=O)[O-] 609697239 RZMYVOWBDGJUCR-QFBILLFUSA-N 426.423 4.021 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2cnc(N)c(Cl)c2)c2ccccc2)c([N+](=O)[O-])c1 728630791 UITYKSFITYLYTG-SFHVURJKSA-N 440.843 4.071 5 20 IIBD CSCc1ccc(NC(=O)c2ccc(I)c([N+](=O)[O-])c2)cc1 730493149 CENCFZHOFICYHE-UHFFFAOYSA-N 428.251 4.315 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2cnn3ccccc23)c2ccccc2)c([N+](=O)[O-])c1 733554069 YTTVPZUJNQGQKJ-NRFANRHFSA-N 430.420 4.088 5 20 IIBD C[C@@H]([C@@H](OC(=O)CCC1CC1)c1ccccc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 734314085 MCMOPZJENDELIQ-KSFYIVLOSA-N 446.525 4.079 5 20 IIBD CCc1ccc(OC(=O)C[C@@H](NC(C)=O)c2ccc(Br)cc2)c([N+](=O)[O-])c1 734739208 AEWFSBZREVDDAQ-MRXNPFEDSA-N 435.274 4.093 5 20 IIBD Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1ccc([N+](=O)[O-])cc1Br 739496874 LJHAWVREMKEFFY-VQIMIIECSA-N 430.302 4.114 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Br)Nc1cccc(Cl)c1Cl 740424055 XJQZOLXLMLBFJQ-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD CCN(Cc1cc(Br)ccc1F)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 742146380 BUABWXCNUXQOJZ-UHFFFAOYSA-N 434.269 4.235 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(c3ccc(F)cc3S(=O)(=O)C(F)(F)F)CC2)cc1 742425896 QUVDZRHUJQSSFS-UHFFFAOYSA-N 448.394 4.075 5 20 IIBD CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)Oc3ccc([N+](=O)[O-])c(F)c3)cc2)cc1 742648356 UEHHWHFWWQJOMJ-UHFFFAOYSA-N 430.413 4.127 5 20 IIBD O=C(Cc1ccccc1Cl)NCCCOC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 744085154 DEHCEQPQPROFLF-UHFFFAOYSA-N 444.793 4.173 5 20 IIBD COC(=O)c1c(F)ccc(S(=O)(=O)Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])c1F 749174495 YSMIIDCJJJTFMD-UHFFFAOYSA-N 449.387 4.094 5 20 IIBD COC(=O)c1occc1CN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@@H](C)c1ccccn1 751128048 KFQLJLHWBZTGLL-ZDUSSCGKSA-N 443.843 4.426 5 20 IIBD COc1ccc([C@@H]2CCCN2S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc1OC 752232997 IJCRMKGJHHMHDS-HNNXBMFYSA-N 440.905 4.100 5 20 IIBD CC(C)(NCN1CCN(c2ccccc2[N+](=O)[O-])C1=O)c1ccc(Br)cc1 752789155 NLKVEJYBJICKHR-UHFFFAOYSA-N 433.306 4.082 5 20 IIBD C[C@H](OC(=O)c1cc(-c2ccccn2)ccc1Cl)C(=O)Nc1ccccc1[N+](=O)[O-] 754998529 JPKOOOFJDSQRKF-ZDUSSCGKSA-N 425.828 4.494 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N(Cc1ccccc1)C[C@H](O)c1cccs1 755761099 HFUIBNJGHLLXSH-NRFANRHFSA-N 435.505 4.373 5 20 IIBD CN(C(=O)c1cccc([N+](=O)[O-])c1Br)[C@H](c1cccc(F)c1)c1cnn(C)c1 758226325 MYUPLUBGOVSVLL-GOSISDBHSA-N 447.264 4.092 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Oc2ccc(-c3c(C)noc3C)cc2)ccc1[N+](=O)[O-] 759884047 WHQCDTWGVLXKHU-NRFANRHFSA-N 449.463 4.385 5 20 IIBD Cc1nc(CC(C)C)c(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])s1 760363979 HPZWAXMEWRLLSW-UHFFFAOYSA-N 434.337 4.122 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1ccc(N2CCc3sccc3C2)cc1 770320376 FVRKCRMFDOZZKE-UHFFFAOYSA-N 448.508 4.417 5 20 IIBD Cc1cccc(-c2nc(C)c(C(=O)OC[C@@H]3CCCN3C(=O)c3ccccc3[N+](=O)[O-])[nH]2)c1 772661064 YQQDXFKBOPEWTE-SFHVURJKSA-N 448.479 4.063 5 20 IIBD CC(C)[C@H](OC(=O)c1sc(Br)cc1[N+](=O)[O-])C(=O)N(C)c1ccccc1 773605717 ZSLMNNKJURKWSN-AWEZNQCLSA-N 441.303 4.263 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cnn(-c3ncccc3Cl)c1C(F)F)CC2 774218013 CUOIYFOGWFTIHN-UHFFFAOYSA-N 433.802 4.278 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)c1ccc2c(c1)CC(=O)N2C 775091700 SLCNUVJQLUWRPG-CYBMUJFWSA-N 442.493 4.042 5 20 IIBD CCc1csc(-n2cc(C(=O)O[C@@H](c3cccnc3)c3ccccc3[N+](=O)[O-])cn2)n1 776139994 XPOYCXZECWAVKX-IBGZPJMESA-N 435.465 4.141 5 20 IIBD COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 776270933 GLQKVZYOAXRRKY-CVDCTZTESA-N 440.521 4.355 5 20 IIBD O=C(N[C@@H]1CCCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1)c1cc2ccccc2o1 777963342 JVKBXGFGNFLPHQ-HXUWFJFHSA-N 445.479 4.056 5 20 IIBD CCCN(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)OC(C)(C)C)CC1 778389219 FSJFRHPVVACPSB-UHFFFAOYSA-N 441.475 4.325 5 20 IIBD Cc1cc(C(=O)O[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3F)C2)c(C)n1Cc1ccccn1 778811843 SESULGGHQUFIIK-LJQANCHMSA-N 438.459 4.031 5 20 IIBD C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(n2ccc(C(F)(F)F)n2)CC1 778969490 MWLQAEJZUSEPEA-NSHDSACASA-N 445.829 4.128 5 20 IIBD O=C(COC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)Nc1ccc(Cl)cc1 781256012 JASTURAXBGKVTD-UHFFFAOYSA-N 442.805 4.408 5 20 IIBD C[C@H](OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)NCc1ccc(Cl)cc1 781260759 VFIOOLFSPMWVCW-AWEZNQCLSA-N 434.879 4.196 5 20 IIBD COC[C@H](C)n1c(C)cc(C(=O)COc2cc([N+](=O)[O-])ccc2Br)c1C 786746880 MMFQDFGJJDAGLD-LBPRGKRZSA-N 425.279 4.245 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 787340569 HECQNOPDUPHYCE-UHFFFAOYSA-N 438.362 4.396 5 20 IIBD COCc1ncsc1C(=O)Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1 790114436 LYBPDFCXYMSSTI-UHFFFAOYSA-N 438.417 4.190 5 20 IIBD COc1ccc(C[C@H](C)C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cc1 791172325 MUVPQPIKGHWVLF-ZDUSSCGKSA-N 433.302 4.129 5 20 IIBD COc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])c(N(C)C)cc3F)n2)cc1F 791198128 YRADSFLPZUDPIP-UHFFFAOYSA-N 434.424 4.323 5 20 IIBD CCc1c(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cnn1-c1cccc(Cl)c1 791585482 XVAFSEBXQUWTOQ-FQEVSTJZSA-N 439.859 4.128 5 20 IIBD COc1cc(C(=O)Oc2ccc(-c3noc(-c4cccnc4)n3)cc2)cc([N+](=O)[O-])c1C 791797092 LKAFSMSNFQKUCC-UHFFFAOYSA-N 432.392 4.243 5 20 IIBD COc1ccc(-c2ccc(CN3CCC(Oc4ccc(F)nc4)CC3)o2)c([N+](=O)[O-])c1 792184566 SNEDLFOMQSJASC-UHFFFAOYSA-N 427.432 4.441 5 20 IIBD C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 793600605 UQPUEUHTGCTPAZ-IFXJQAMLSA-N 447.417 4.292 5 20 IIBD COc1ccccc1O[C@H]1CCCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 796568690 VJMOIDXNSAKANJ-HOCLYGCPSA-N 433.892 4.127 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2cc(C(F)(F)F)ccc2Br)cc1F 798431842 DQVNVPFTIBUDKS-UHFFFAOYSA-N 444.156 4.283 5 20 IIBD Cc1nc(-c2ccc(C(=O)OCC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])cc2)cs1 799518503 NJFRFXABGHXHNH-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD CS(=O)(=O)c1cc(COC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc(C(F)(F)F)c1 800982796 ZKVPBNJOBJHHNT-UHFFFAOYSA-N 437.779 4.028 5 20 IIBD C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 807989193 YQEKTOLFDLEXKS-GKKDWNQVSA-N 443.313 4.288 5 20 IIBD O=C(COc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 808056110 CWLKTHNMSWPFKO-QGZVFWFLSA-N 432.860 4.152 5 20 IIBD COc1cc(COc2cccc3c2[C@@H](O)CC(C)(C)O3)c([N+](=O)[O-])cc1OCC(F)F 810009677 FAIWWIKNLMFPLR-AWEZNQCLSA-N 439.411 4.421 5 20 IIBD CC[C@H](C)n1ncc2c(C(=O)O[C@H]3CCN(Cc4cccc([N+](=O)[O-])c4)C3)cc(C)nc21 813171549 YVLFHPPKCOKYCI-LPHOPBHVSA-N 437.500 4.050 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 814246581 STIBBDBONLJZRR-UHFFFAOYSA-N 432.476 4.089 5 20 IIBD C[C@H](c1ccc(F)cc1)N1CC[C@@H](OC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1=O 815223653 WXLCKTDCVDZMGT-PIGZYNQJSA-N 440.349 4.272 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)O[C@H](C)C(=O)Nc3ncccn3)cc2[N+](=O)[O-])cc1 822142257 KXHQLJPHBAYRAB-CQSZACIVSA-N 438.465 4.028 5 20 IIBD C[C@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccccc1Cl 823309920 PNDIYYAZKDQGBI-HNNXBMFYSA-N 445.903 4.273 5 20 IIBD O=C(Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1)c1cn2ccccc2n1 890405616 LDFLPNJDWBGYTM-UHFFFAOYSA-N 427.372 4.235 5 20 IIBD Cc1nc(CCNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cs1 900741133 QUGZJNJXEJXXBN-UHFFFAOYSA-N 444.900 4.238 5 20 IIBD O=C1C[C@@H](C(=O)N(C2CC2)[C@H]2CCCc3ccccc32)CN1c1ccc(F)c([N+](=O)[O-])c1 914513077 UXRCIGSUQVKKLS-IERDGZPVSA-N 437.471 4.155 5 20 IIBD COc1ccc(COC(=O)Cn2c(Cc3ccccc3)nc3ccccc32)cc1[N+](=O)[O-] 918915776 KRUCQDFXNKFCLT-UHFFFAOYSA-N 431.448 4.287 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)OC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)cc1F 919228178 HRLJRVPJUQPBDI-LLVKDONJSA-N 430.348 4.227 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)[C@H](C)Oc2cccc(C(C)(C)C)c2)c([N+](=O)[O-])c1 919405944 CDBKUQQPIAEUPW-GJZGRUSLSA-N 444.484 4.239 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccc(OCc2ccccc2)cc1 919569316 SNQZDHSJEXCELP-HNNXBMFYSA-N 438.411 4.497 5 20 IIBD Cc1nccn1-c1ncccc1NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 919982732 LBWSNJMJFQOYFH-HZPDHXFCSA-N 434.500 4.219 5 20 IIBD Cc1nccn1-c1ncccc1NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 919986608 WYIGICTULFVDBK-OAHLLOKOSA-N 443.467 4.304 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 920119513 QCEJKAVRMSHYDA-UHFFFAOYSA-N 441.831 4.056 5 20 IIBD Cc1cc(C(=O)OCC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)cc([N+](=O)[O-])c1 920900919 NIIMMASXYNEJCF-QGZVFWFLSA-N 439.449 4.092 5 20 IIBD C[C@@H]1CCC[C@@H](OCCCCCC(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C1 1116428681 DUBLPKFCSIAERC-NFBKMPQASA-N 431.577 4.395 5 20 IIBD O=C1CN(Cc2cccc(NCc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c2)CCN1 1117656149 GRDDGXDJNHTBOL-UHFFFAOYSA-N 440.887 4.052 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2 1318848724 JBAGIXPROQPNLU-UHFFFAOYSA-N 440.321 4.337 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCCC2(CCN(C(=O)c3cccc4ccccc34)CC2)C1 1804650619 AYGGBHUSQXXIFL-UHFFFAOYSA-N 447.491 4.500 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)C23CCC(CC2)CC3)[nH]n1)c1ccc([N+](=O)[O-])o1 1814313637 SZEFARJORGNOTQ-RPYGNYITSA-N 441.488 4.187 5 20 IIBD Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)c(C)c1 1829946425 HJSDAROKIUHCJQ-HXUWFJFHSA-N 439.512 4.352 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cc(-c3ccccc3)[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 15603233 PGGZQNRJBPXQHR-UHFFFAOYSA-N 428.404 4.456 5 20 IIBD Cc1cc(C)c(NC(=O)CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c(C)c1 15621093 ZMBRIOXOMXICBD-UHFFFAOYSA-N 438.528 4.125 5 20 IIBD Cc1ccccc1NC(=O)[C@@H](C)OC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 18968840 NBDLDHONKYMSJV-CYBMUJFWSA-N 439.390 4.294 5 20 IIBD COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)OC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 25375221 JMJPETHSIXHUMN-GFCCVEGCSA-N 442.449 4.089 5 20 IIBD O=C(NCc1ccco1)Nc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 25706359 AUYZKBCVWWARGO-UHFFFAOYSA-N 449.467 4.362 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccc3cn[nH]c3c2)c2ccccc2)c([N+](=O)[O-])c1 25786604 QJLVJVCVIAXBBV-NRFANRHFSA-N 430.420 4.316 5 20 IIBD O=C(Nc1ccccc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 25877421 PXGMTOUIXQINMQ-UHFFFAOYSA-N 427.420 4.285 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)Cn1nc(-c2ccncc2)n(C2CC2)c1=S 27533508 KXXYZNDYVGQZBS-UHFFFAOYSA-N 430.921 4.462 5 20 IIBD CCOc1ccc2nc(NC(=O)CSCc3ccc(OC)c([N+](=O)[O-])c3)sc2c1 31873249 CYWYPJXSSTUEKQ-UHFFFAOYSA-N 433.511 4.484 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1 32207866 IFJQVDKRTWQPNX-UHFFFAOYSA-N 439.459 4.294 5 20 IIBD C[C@@H]1CCCCN1Cc1ccccc1CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 65058826 FXNZSJMYRUODCC-GOSISDBHSA-N 447.539 4.300 5 20 IIBD COc1ccc(CN2CCC(CNC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)CC2)cc1 72046528 QAWMQGHTRLOHPD-KRWDZBQOSA-N 443.569 4.112 5 20 IIBD C[C@@H](OC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 104939166 HWCSLGJPAHALNE-AUUYWEPGSA-N 439.424 4.121 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 117421685 NSUKNAKMNIJSDA-AWEZNQCLSA-N 438.459 4.340 5 20 IIBD Cc1ccc(Sc2ccc(CNCCC(=O)NCc3cccnc3)cc2[N+](=O)[O-])cc1 237871960 NKTSZWRPJCECNS-UHFFFAOYSA-N 436.537 4.246 5 20 IIBD O=[N+]([O-])c1c(Sc2nnc(-c3ccccc3F)n2Cc2ccco2)nc2sccn12 301731216 XQIUXHVOZSODEI-UHFFFAOYSA-N 442.457 4.494 5 20 IIBD NS(=O)(=O)c1cccc(N[C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)c1[N+](=O)[O-] 302156482 MWNNXKKMWVGBBA-JSGCOSHPSA-N 429.420 4.009 5 20 IIBD O=[N+]([O-])c1ccc(Sc2nnnn2-c2ccc(Br)cc2)c2ncccc12 302184880 TUCFZWGRMNTZHE-UHFFFAOYSA-N 429.259 4.032 5 20 IIBD CC[C@@H](C)Oc1cc(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)ccn1 426192727 CIDISHVLVAJMNS-GFCCVEGCSA-N 426.395 4.185 5 20 IIBD COc1ccc(-n2ccnc2SCC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 427587884 LPQBRIGWWUDMFR-UHFFFAOYSA-N 438.509 4.072 5 20 IIBD C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 427867153 AVUJAMLJVDLVDT-HUUCEWRRSA-N 433.892 4.493 5 20 IIBD COc1cc(C(=O)N[C@H]2CCC[C@H]2CCO)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 428823640 OGGICWLGUQALCF-BBRMVZONSA-N 434.876 4.330 5 20 IIBD CCc1ccc(NC(=O)c2nnc(CNC(C)(C)c3ccccc3[N+](=O)[O-])s2)cc1 429244749 MPIVCLBKLAWTAU-UHFFFAOYSA-N 425.514 4.286 5 20 IIBD O=C(NC[C@H](c1ccco1)N1CCCC1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 435828391 VROCHWSHTYVLJK-HXUWFJFHSA-N 437.446 4.119 5 20 IIBD CC(=O)Nc1ccc(C)c2c1CCCN2C(=O)c1cc(Br)cc([N+](=O)[O-])c1 438942301 JSFRNDSEBCAWEW-UHFFFAOYSA-N 432.274 4.217 5 20 IIBD CO[C@H](C)c1nc(CN2CCCN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC2)cs1 439603024 JEEHKBIEZZSVDB-OAHLLOKOSA-N 427.530 4.019 5 20 IIBD C[C@H]1CCN(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)[C@@H]1CO 443625232 UAJPNMLWUDDZQC-YVEFUNNKSA-N 437.855 4.092 5 20 IIBD COc1cc(-c2nc(CC(=O)NC(C)C)no2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 445270738 UNJATMNMFOZZSU-UHFFFAOYSA-N 446.847 4.166 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(CSCC(=O)c3ccc(Cl)cc3)n2)c1 445570472 GLTWISQCZKFJSD-UHFFFAOYSA-N 433.873 4.347 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O 446423200 RUSSFLPBCIOEJL-ZDUSSCGKSA-N 445.834 4.003 5 20 IIBD CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(c2ncc3n2CCCC3)CC1 460599991 UDPMBUNFDKPHGO-UHFFFAOYSA-N 449.559 4.426 5 20 IIBD CC(C)(c1ccccc1)c1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1C[C@@H]1CCCO1 461133583 XBRJBBAOGPBVAE-QFIPXVFZSA-N 447.539 4.254 5 20 IIBD C[C@H](c1ccc(F)c(F)c1)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 461583456 VVAPHUAARVFCMA-CABCVRRESA-N 443.454 4.365 5 20 IIBD COc1cccc([C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2Cl)c1 462312992 HSHRPFHLQXCVDK-HXUWFJFHSA-N 432.885 4.325 5 20 IIBD CCCN([C@H](C)c1ccccc1OC)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 463692502 YKSIKPOXJKFKII-OAHLLOKOSA-N 429.498 4.314 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 463945219 ALJXZKSAPUIDCU-HNNXBMFYSA-N 441.406 4.134 5 20 IIBD C[C@@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)Oc1ccc(Br)cc1 464639710 PGYFJSGGZOSCJI-STQMWFEESA-N 439.331 4.422 5 20 IIBD COc1ccc(C(C)(C)CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 465811307 MCNAVODSOCVKTO-UHFFFAOYSA-N 427.501 4.134 5 20 IIBD CC(C)(Cc1ccc(C(F)(F)F)cc1)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 468304659 GHEMPMBIFRONKR-UHFFFAOYSA-N 438.402 4.065 5 20 IIBD Cc1nnc(-c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3C(=O)c3ccccc3)cc2)o1 468550500 ADCGCZFUQJICQU-UHFFFAOYSA-N 428.404 4.437 5 20 IIBD Cc1ccc(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c(-n2cc(Cl)cn2)n1 468922046 ICMRSJHROFKGGY-UHFFFAOYSA-N 440.891 4.012 5 20 IIBD CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 470138077 NHYICOYNQTZEHN-UHFFFAOYSA-N 433.827 4.480 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])c1cc(Br)ccc1Br 470199617 ZYNAQJNVOROBGZ-UHFFFAOYSA-N 428.080 4.092 5 20 IIBD Cc1ccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c(-c2nc(C3CC3)no2)c1 471653555 KEQXTGKJJDXZII-UHFFFAOYSA-N 430.424 4.269 5 20 IIBD Cc1cc(C)n(-c2ccccc2CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])n1 472200003 VOKQJVNNRVRMBP-UHFFFAOYSA-N 448.401 4.268 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)c1C 480007744 DBGWJGMQEJJRTD-UHFFFAOYSA-N 440.403 4.217 5 20 IIBD C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 480300026 LPEDAFLLZDDWMO-NSHDSACASA-N 438.410 4.471 5 20 IIBD Cc1nn(CCC(=O)N[C@@](C)(c2ccc(Br)cc2)C(C)C)c(C)c1[N+](=O)[O-] 481303386 GGEHYZUXLAFKLB-LJQANCHMSA-N 437.338 4.248 5 20 IIBD CCn1c(SCC(=O)N[C@@H](C)c2ccc(Cl)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 481346905 UIEOEGKVFYNDNQ-ZDUSSCGKSA-N 445.932 4.496 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NC[C@H]3CCC4(CCCCC4)O3)cc2)c(C)c1[N+](=O)[O-] 481625797 GFHCLMNCXKKMTC-HXUWFJFHSA-N 426.517 4.068 5 20 IIBD COc1ccc([C@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C(F)(F)F)cc1 482364407 QQFSPROPMNMIFR-INIZCTEOSA-N 431.798 4.402 5 20 IIBD Cc1cc(-c2noc([C@H](C)N[C@H](C)CC(=O)Nc3ccc([N+](=O)[O-])cc3)n2)ccc1F 483658230 JJCAKIRAKDUOSV-KGLIPLIRSA-N 427.436 4.160 5 20 IIBD COC(=O)[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1ccc(OC)c(O)c1 483660286 LSRDLUNBKGDFJX-FQEVSTJZSA-N 428.466 4.041 5 20 IIBD CC(C)(C)Oc1cc(NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)ccc1[N+](=O)[O-] 485105683 PPGHKDWVPGZZHG-UHFFFAOYSA-N 447.557 4.178 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)Cc2cc(C(=O)O)c(C)o2)cc1 486191366 JRNJQUZLQSSYEN-UHFFFAOYSA-N 440.408 4.268 5 20 IIBD CN(C)[C@H](C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1c(F)cccc1Cl 486743772 FWKJVOKALMTCHO-INIZCTEOSA-N 433.789 4.325 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2nc(C)cc(C(=O)OC)c2s1 487530051 QAPNTFDKFCBBAE-UHFFFAOYSA-N 432.483 4.059 5 20 IIBD COC[C@@H](NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)c1ccc(Cl)cc1 488156360 YDDCBJHWAYFMIQ-HXUWFJFHSA-N 442.903 4.227 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] 489657846 BIUJPFOUSAEJIA-FUHWJXTLSA-N 437.525 4.331 5 20 IIBD CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1 490162717 XLFBLGKNKROQRD-UHFFFAOYSA-N 427.848 4.425 5 20 IIBD CCn1c(NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)OC)nc2ccc(F)cc21 490995164 BJHODKFSYWZSDX-UHFFFAOYSA-N 446.460 4.011 5 20 IIBD Cc1ccc(NC(=O)C(=O)N[C@H](Cc2cccc(F)c2)c2cccc(F)c2)cc1[N+](=O)[O-] 491218495 YDPQGQPZLVPGGA-HXUWFJFHSA-N 439.418 4.220 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 495167594 MQXBYADCUFENNM-UHFFFAOYSA-N 438.311 4.305 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 500766188 FURJQENGMRFIKY-HNNXBMFYSA-N 436.295 4.070 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC1CCN(CC2CCCC2)CC1 501960606 RZGOLGXGCLQLPO-UHFFFAOYSA-N 442.482 4.186 5 20 IIBD O=C(N[C@@H](Cn1ccccc1=O)c1ccccc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 501981998 WLUHWFIWLOSYEP-IBGZPJMESA-N 446.488 4.051 5 20 IIBD CC(C)CC[C@H](NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1 502808441 PIUPIQIPAKOGOR-KRWDZBQOSA-N 431.876 4.450 5 20 IIBD CCOc1ccc([C@H](C)NCc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1[N+](=O)[O-] 504906577 ZYBIACKETKDLQR-BZSNNMDCSA-N 441.528 4.094 5 20 IIBD C[C@H]1CCCN(Cc2ccc(CNC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)cc2)C1 507048482 SWYPVBHDZXIDGD-SFHVURJKSA-N 447.539 4.157 5 20 IIBD CN([C@@H]1CCSc2ccc(Br)cc21)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 507544903 CMWKIXRNKCKTFC-OAHLLOKOSA-N 443.344 4.215 5 20 IIBD COCCn1cc2c(n1)[C@H](NCc1ccc(N(C)c3ccccc3)c([N+](=O)[O-])c1)CCC2 507908863 BFYDFBWFDYDGOL-OAQYLSRUSA-N 435.528 4.373 5 20 IIBD CC1CCC(N(C(=O)c2ccc([N+](=O)[O-])cc2I)C2CC2)CC1 508941617 JBTUYFQJWQBTMU-UHFFFAOYSA-N 428.270 4.383 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CCN(c2ccccc2[N+](=O)[O-])CC1 509830376 HUDQVHBBXONGQG-DOTOQJQBSA-N 434.418 4.001 5 20 IIBD Cc1c(C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2C(F)(F)F)cccc1[N+](=O)[O-] 514573905 FYHCJEAWALDGBP-QGZVFWFLSA-N 437.374 4.292 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 519016381 PTRKECXCCVBJIR-SFHVURJKSA-N 445.884 4.163 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](C)c1cccc(N2CCCC2=O)c1 520503987 SDGJVKNANAYNAF-ZIAGYGMSSA-N 431.876 4.020 5 20 IIBD COc1cc(C(=O)Nc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)c([N+](=O)[O-])cc1OC 520592507 VIFFKSHDAVFOBO-CQSZACIVSA-N 441.484 4.045 5 20 IIBD Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)s1 521631006 IXESCTKNKCEMKG-OAHLLOKOSA-N 427.530 4.363 5 20 IIBD CC(C)(C)c1ccc(Oc2ccc(CN[C@@H]3CCCS(=O)(=O)C3)cc2[N+](=O)[O-])cc1 522891622 QBROLYWOUWMBAQ-GOSISDBHSA-N 432.542 4.351 5 20 IIBD COC(=O)c1cc(NC(=O)c2oc3ccc(Br)cc3c2C)cc([N+](=O)[O-])c1 522921772 MAEOENGOKIWTEV-UHFFFAOYSA-N 433.214 4.451 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 523564579 KKGNYXUVCBJCCD-CYBMUJFWSA-N 449.866 4.032 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2nc3ccccc3s2)CC1 523697778 BABRNSLZGIZBKR-CQSZACIVSA-N 428.539 4.034 5 20 IIBD CCC[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 525040334 BQTHGUGCUUOAAG-MSOLQXFVSA-N 429.542 4.179 5 20 IIBD COc1cc(C(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)cc([N+](=O)[O-])c1OC 525539083 ISYGWYFPRBTWSC-OAHLLOKOSA-N 437.452 4.077 5 20 IIBD COC(=O)COc1ccc(CNc2ccc(-c3cn4ccccc4n3)cc2)cc1[N+](=O)[O-] 530441208 XZGNVHQSTDSDJG-UHFFFAOYSA-N 432.436 4.073 5 20 IIBD CCN([C@H](c1cccnc1)c1ccc(F)cc1F)S(=O)(=O)c1ccccc1[N+](=O)[O-] 531190079 GAXNBTVDDMHJRQ-HXUWFJFHSA-N 433.436 4.068 5 20 IIBD C[C@H](C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)c1cnn(C)c1 531409748 KTNGEOMHTAMMKI-LBPRGKRZSA-N 432.839 4.333 5 20 IIBD CCN([C@@H](c1cccnc1)c1ccc(F)c(F)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 531428685 ZOJWKMMURNSLSK-HXUWFJFHSA-N 433.436 4.068 5 20 IIBD COc1cc(CNc2ccc(CC(=O)N3CCc4ccccc43)cc2)c([N+](=O)[O-])cc1O 532728524 JPJDBOWNMMBHCO-UHFFFAOYSA-N 433.464 4.053 5 20 IIBD Cc1cc(C)cc(NC(=O)[C@@H](C)[S@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1 534062963 WXVIPHXKGXQMGN-DHMKHTPVSA-N 427.482 4.143 5 20 IIBD O=C(NCC1(c2ccc(F)cc2F)CC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 534192510 BYFSTDBZNWLHCI-UHFFFAOYSA-N 430.329 4.276 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)NCCCOc1ncc(C(F)(F)F)cc1Cl 534571477 JIVGOQWOIKIZJH-UHFFFAOYSA-N 431.798 4.180 5 20 IIBD COc1ccccc1[C@H](NC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-])c1ccccn1 534842893 CBEHISAQRBZWHA-QHCPKHFHSA-N 449.511 4.198 5 20 IIBD CC(C)Cn1cc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c(C(F)F)n1 534899322 GAEJBSIKFBBMSJ-UHFFFAOYSA-N 443.259 4.493 5 20 IIBD CC[C@H](C[C@@H](C)CO)NC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 535422847 IDOLIUFVBGQDJI-GDBMZVCRSA-N 430.526 4.075 5 20 IIBD CO[C@@H]1CCCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)C1 535760180 ABNDINRVHUFKIO-VQIMIIECSA-N 448.317 4.148 5 20 IIBD CCS[C@@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)OC)C1 536469893 PPLURUFGHKOOAP-DZGCQCFKSA-N 426.560 4.044 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](CNC(=O)c2ccccc2)C1 537156485 MHPFMLMNXSCUCJ-QGZVFWFLSA-N 441.553 4.378 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccc(OC(C)C)c(OC)c2)c([N+](=O)[O-])c1 538150738 KYCQBZBFSSPKRD-CABCVRRESA-N 431.489 4.077 5 20 IIBD O=C1[C@H](NC/C=C\c2ccccc2[N+](=O)[O-])CCCN1Cc1cccc(C(F)(F)F)c1 538569829 GUMMFBUDEDUXMM-LKJUBWIJSA-N 433.430 4.408 5 20 IIBD CCc1cc(=O)c2cc(NC(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc2[nH]1 538653851 VIDGEKYKMBEIQG-UHFFFAOYSA-N 448.401 4.458 5 20 IIBD COC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 539004602 GXUASZZPLHYSMY-WSZRMNBISA-N 440.500 4.015 5 20 IIBD CCCCN1C(=O)CC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)[C@H]1c1ccc(OC)cc1 539971673 ILYFXWGAELQLOO-PGRDOPGGSA-N 441.484 4.028 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(SC)c1C 540474747 BDBQYVFHAWSXLC-QGZVFWFLSA-N 433.555 4.115 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)c1 540628544 HDLBWKLBFMQJOG-NRFANRHFSA-N 447.491 4.038 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2nc(C3CC3)no2)cc1C 541302788 QDFDBGLCUJCNCP-UHFFFAOYSA-N 428.470 4.194 5 20 IIBD Cc1cc(Br)cn2cc(CNC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)nc12 544773729 CYIWSBRPTWHPFJ-GFCCVEGCSA-N 449.330 4.110 5 20 IIBD Cc1c(Cc2noc(-c3ccc(S(=O)(=O)C4CCCC4)cc3)n2)cccc1[N+](=O)[O-] 545784200 CZUNSTSOAWVJTI-UHFFFAOYSA-N 427.482 4.260 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1nc(-c2ccnc(N3CCCC3)c2)no1 547029989 UEZJPNWYKZJGHY-UHFFFAOYSA-N 448.405 4.313 5 20 IIBD COc1cnccc1CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 552536203 TZKDVEDJGFWIJR-UHFFFAOYSA-N 443.843 4.383 5 20 IIBD Cc1c(Cl)cccc1N1CCCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 556470571 NRCSXNIVSGIQHH-UHFFFAOYSA-N 439.903 4.095 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC2(CCN(Cc3ccccc3)CC2)C1 558303398 MRSFKYUIZMDUJI-UHFFFAOYSA-N 432.524 4.064 5 20 IIBD CCc1nc2ccccc2n1C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)CC1 558441101 WALIRYBPPHWARC-UHFFFAOYSA-N 431.500 4.144 5 20 IIBD O=[N+]([O-])c1ccc2[nH]nc(-c3nc(Cc4c(F)ccc(Br)c4F)no3)c2c1 559986510 DCYKSGWXFMRMPZ-UHFFFAOYSA-N 436.172 4.153 5 20 IIBD CSc1cccc(C(=O)Nc2ccc3c(c2)N(CC(F)F)C(=O)CS3)c1[N+](=O)[O-] 560156299 HTPXFDTULODTGM-UHFFFAOYSA-N 439.465 4.273 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(-c2cc(OCC(F)F)ccn2)no1 574556432 SLNCPAWJYBMRDS-UHFFFAOYSA-N 441.188 4.422 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 603501330 HSNWXVKGFOYEKQ-JOCHJYFZSA-N 443.459 4.058 5 20 IIBD Cc1c(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)nnn1-c1cccc([N+](=O)[O-])c1 603564304 BDIYNEMCZLPYSV-UHFFFAOYSA-N 442.407 4.138 5 20 IIBD O=[N+]([O-])c1c[nH]c2ccc(Br)cc2c1=NCc1cccc(Cn2ccnc2)c1 603849149 KWPOUFLMALWZNG-UHFFFAOYSA-N 438.285 4.184 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCC[C@@H](OCC(F)(F)F)C1 603981495 GLKTVVYNIDFFTE-QGZVFWFLSA-N 437.418 4.390 5 20 IIBD COc1cc(OCC(=O)Nc2ccc3[nH]c(-c4ccc(F)cc4)nc3c2)ccc1[N+](=O)[O-] 604457939 ZSZCJJYQHRIYNK-UHFFFAOYSA-N 436.399 4.303 5 20 IIBD O=C(NCc1ccc(OCc2cccc(F)c2)cc1)c1cc([N+](=O)[O-])cc2c1OCCO2 608934942 XCAKGJXXVMLXSM-UHFFFAOYSA-N 438.411 4.014 5 20 IIBD COc1ccc2cc(CN(C)C(=O)Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)ccc2c1 609150966 NFVICOKSMYPWTD-UHFFFAOYSA-N 430.464 4.279 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 609806084 ZBEYKXZBDGEJPB-QGZVFWFLSA-N 432.864 4.200 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1 609836181 RQYNMVSLDAGYOC-LJQANCHMSA-N 426.860 4.381 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)cc1[N+](=O)[O-] 610068639 QLEBVCRISGMARU-AWEZNQCLSA-N 427.482 4.369 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC[C@H]1CCO[C@H]1c1ccccc1 610184505 MGMFRYXXZBXZCI-QRWLVFNGSA-N 437.418 4.310 5 20 IIBD Cc1c(Br)cc(C(=O)N[C@@H](Cn2cccn2)c2ccccc2)cc1[N+](=O)[O-] 611073230 BLJMRFPEZNQTCI-KRWDZBQOSA-N 429.274 4.034 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 611147208 VFRFWNVQEDEKEY-UHFFFAOYSA-N 446.438 4.326 5 20 IIBD C[C@@H](NC(=O)N1CCO[C@H](c2ccccc2Br)C1)c1cccc([N+](=O)[O-])c1 725863231 AEPJPTGGVXPJMI-ACJLOTCBSA-N 434.290 4.201 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3ccc(Cl)cc3s2)cc1Br 727243240 XXODWWNYIMHVOL-UHFFFAOYSA-N 448.707 4.421 5 20 IIBD COC(=O)Nc1cccc(C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 728456627 MVWHVCCZYXJHSE-UHFFFAOYSA-N 435.392 4.245 5 20 IIBD C[C@H](C(=O)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1F 731340021 LFUDXBABECRWNC-WMZOPIPTSA-N 428.460 4.466 5 20 IIBD O=C(NCC[S@@](=O)Cc1ccccc1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 732097486 IUMWKFARQQAWHH-SSEXGKCCSA-N 440.546 4.425 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCCCO[C@@H]1CCCc2ccccc21 733791850 FCPXKKZIJSUGND-LJQANCHMSA-N 440.468 4.487 5 20 IIBD C[C@H](OC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)C(=O)Nc1ccc2ccccc2c1 735354045 FYHSFQXAWRMRCY-ZDUSSCGKSA-N 431.404 4.186 5 20 IIBD COc1cc(C(=O)N2CCCN(C(=O)OC(C)(C)C)c3ccccc32)ccc1[N+](=O)[O-] 741954733 UCRQHJFIQOJUDL-UHFFFAOYSA-N 427.457 4.395 5 20 IIBD Cc1cc(F)c(S(=O)(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1[N+](=O)[O-] 742024997 GSDRCAJZKXUWKE-UHFFFAOYSA-N 428.656 4.308 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)OCc1nc(O[C@H](C)c2ccccc2)ccc1Cl 742224739 HUVOOPGKXXIPQI-CQSZACIVSA-N 444.875 4.422 5 20 IIBD CCOc1cc(C(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)c([N+](=O)[O-])cc1OC 742944927 QTQCXXLNVDSMGV-LLVKDONJSA-N 446.847 4.197 5 20 IIBD C[C@H](OC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 744884673 USJFVWOOOKGQKG-XJKSGUPXSA-N 446.460 4.039 5 20 IIBD C[C@@H](CC(=O)O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1C(F)(F)F 745222261 KBGYBCPHYPCJSS-UGSOOPFHSA-N 436.386 4.456 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(N(C)Cc2ccccc2)cc1 746147671 YFEODSRMXOKGMO-FQEVSTJZSA-N 436.516 4.102 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 746265163 QQLYDIRHLPRKJX-PKOBYXMFSA-N 436.867 4.271 5 20 IIBD COC(=O)c1ccc([C@@H](OC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C(F)(F)F)cc1 747215118 QYMAGSQOOUGZPY-QGZVFWFLSA-N 449.341 4.028 5 20 IIBD O=[N+]([O-])c1cccc([C@H](O)CSc2nnc(N3CCCC3)n2-c2ccccc2Cl)c1 749667508 YKWISOLXLWMCKN-GOSISDBHSA-N 445.932 4.255 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1Cl 750965911 SCXISEFEQNOWFO-SNVBAGLBSA-N 441.665 4.045 5 20 IIBD C[C@H](C[C@H](O)c1cccs1)NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 752281533 OKQBJFQOLBFVPS-ABAIWWIYSA-N 431.436 4.106 5 20 IIBD C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 755032017 VPNLZTGGUKUAFM-QYOLQKOISA-N 440.319 4.320 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]1C[C@@H](O)c1cccs1 755485626 FLPWBSFSMAWZDR-XJKSGUPXSA-N 439.331 4.076 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 756747848 NGAVGSVQNCCPDN-OLZOCXBDSA-N 434.518 4.230 5 20 IIBD COc1ccccc1[C@H](OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccn1 759596540 NENWVIYSZRRURA-QFIPXVFZSA-N 430.420 4.131 5 20 IIBD COc1ccc(SCCC(=O)O[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1OC 759935645 YNKDCPGGTDEKAI-HOTGVXAUSA-N 435.502 4.018 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)Nc1c(C)cccc1C 763809993 IOQXPQOJDJGPGW-OAHLLOKOSA-N 432.498 4.134 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 763962273 JCCPEQYBJGJUAM-UHFFFAOYSA-N 431.470 4.476 5 20 IIBD COc1cccc(OC)c1Oc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cn1 764206209 ZSZTVHJSGIORRT-UHFFFAOYSA-N 443.843 4.383 5 20 IIBD C[C@@H](OC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)c1nc2cc(C(F)(F)F)ccc2n1C 764930262 XSRRXKZFFWQFRQ-SECBINFHSA-N 433.346 4.295 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@@H](c1cccc(F)c1)c1ccccn1 765645856 YTEOFYZTKDEMPM-SFHVURJKSA-N 426.360 4.025 5 20 IIBD CCS[C@@H](C)c1noc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)n1 766793737 ZLULUFWKUFKIHL-AWEZNQCLSA-N 433.534 4.054 5 20 IIBD CSc1cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)ccc1F 767048408 XDCVWVKDXSSVOZ-UHFFFAOYSA-N 432.351 4.270 5 20 IIBD Cc1ccc(Cc2nc(C(=O)OCC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])cs2)cc1 768651294 MBIVMRKSQHLXBK-UHFFFAOYSA-N 445.884 4.399 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CSc1nncn1-c1ccc(C(C)C)cc1)CC2 773990400 DSZBNMCGPGFTJG-UHFFFAOYSA-N 437.525 4.289 5 20 IIBD CCOCCOc1ccc(Br)cc1NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 775055284 BMFNYZBSAIDNRW-UHFFFAOYSA-N 440.250 4.293 5 20 IIBD O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 776587950 RXCYSWJYPFQHHQ-OALUTQOASA-N 438.311 4.428 5 20 IIBD CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)ccc1[N+](=O)[O-] 777230651 COVOXFWTXWJOOW-JWTNVVGKSA-N 427.888 4.156 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H](C)c1ccccc1Br 777981572 NJPBHJIZUBPSML-LLVKDONJSA-N 431.283 4.187 5 20 IIBD C[C@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H](O)c1c(F)cccc1Cl 779384776 NTMOIWJXEMGXSA-BTDLBPIBSA-N 430.263 4.005 5 20 IIBD COC(=O)c1cc(C(=O)N(c2ccc(N(C)C)cc2)[C@H](C)c2ccccn2)cc([N+](=O)[O-])c1 779465378 UXMLJYQWRCMVOH-MRXNPFEDSA-N 448.479 4.250 5 20 IIBD COc1cc(-c2noc([C@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)n2)cc(Cl)c1OC 781609515 DGPBHSSEFPZEPL-MRXNPFEDSA-N 430.804 4.181 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(OC(=O)[C@@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)cc2)cc1 781964271 XWABLVMTUZUTSD-QFIPXVFZSA-N 445.431 4.254 5 20 IIBD COc1cc(C(=O)OC[C@@H]2CCC3(CCCC3)O2)c([N+](=O)[O-])cc1OCc1cscn1 783173802 QEKWBEGUJBKRNK-HNNXBMFYSA-N 448.497 4.288 5 20 IIBD Cc1c(NC(=O)N2CCC(CNC(=O)OCc3ccccc3)CC2)cccc1[N+](=O)[O-] 785616365 ZJPOMMWSNTWWSK-UHFFFAOYSA-N 426.473 4.074 5 20 IIBD CCCn1c(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc2ccccc21 787870158 RYQUUVGRBQWLAS-CQSZACIVSA-N 425.441 4.152 5 20 IIBD COc1ccccc1-c1nnc(SCc2ccc(Br)c([N+](=O)[O-])c2)n1C 788099097 JBBANGNHOYDMAS-UHFFFAOYSA-N 435.303 4.454 5 20 IIBD COc1ccc(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(OCC(C)C)c1 789221984 CWAUMAFNBXRTFC-UHFFFAOYSA-N 427.413 4.045 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)c1ccc(F)cc1F 792474697 WBRMOWJFDLXVFR-VIFPVBQESA-N 428.185 4.372 5 20 IIBD COC(=O)c1cc(NC(=O)c2csc(COc3ccc(F)cc3)n2)c(C)c([N+](=O)[O-])c1 792627560 WQMPDCUHEXCKCB-UHFFFAOYSA-N 445.428 4.117 5 20 IIBD CC(C)[C@@H](NC(=O)COc1cc(F)c([N+](=O)[O-])cc1Cl)c1ccc2c(c1)OCCO2 795246732 ZTFMKUNJNGVLOR-HXUWFJFHSA-N 438.839 4.051 5 20 IIBD CC(C)c1[nH]nc(C(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 796254338 GNQGKUCYCNQCRW-VHSXEESVSA-N 443.287 4.171 5 20 IIBD O=C(OC1CCC(N2CCCC2=O)CC1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 799677409 WSMWNVCCCTXROW-UHFFFAOYSA-N 437.496 4.297 5 20 IIBD COc1ccc(CNc2ccc(C3(O)COC3)cc2)cc1OCc1ccc([N+](=O)[O-])cc1 808433883 RJICVBDTMKGHOZ-UHFFFAOYSA-N 436.464 4.012 5 20 IIBD C[C@@H](OC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(S[C@@H]2CCCCNC2=O)cc1 809051716 VTQFWVNRHYPMND-FOIQADDNSA-N 444.509 4.039 5 20 IIBD O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 809917370 FUAIBHIQPRCWHL-UHFFFAOYSA-N 438.271 4.179 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCOc2c(Br)cccc2C1 809920991 BUYYQWROSINNDW-UHFFFAOYSA-N 426.654 4.437 5 20 IIBD O=C(Nc1ccc(F)c(N2CCCNC2=O)c1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813248288 IYUQFMNWNQWPBE-UHFFFAOYSA-N 427.219 4.213 5 20 IIBD O=C(NCc1cnn(Cc2ccc(Br)c([N+](=O)[O-])c2)c1)OCc1ccccc1 814264675 BBRTVUGUFOYAIH-UHFFFAOYSA-N 445.273 4.029 5 20 IIBD C[C@H](OC(=O)c1ccc(O)c(Cl)c1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 848950152 OZEJAIPFOROMHT-JTQLQIEISA-N 447.856 4.261 5 20 IIBD C[C@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(=O)Nc1ccc2c(c1)OCCCO2 856695665 OJEMFBLTQJZEJP-LBPRGKRZSA-N 442.449 4.155 5 20 IIBD CCNc1ccc(C(=O)O[C@@H](C(=O)Nc2cccc(C(C)=O)c2)C(C)C)cc1[N+](=O)[O-] 877039281 ISUGPBAGASCPFU-HXUWFJFHSA-N 427.457 4.049 5 20 IIBD CC(C)c1c(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cnn1-c1ccccc1 913380620 YYSLRACQNNVNQX-AWEZNQCLSA-N 440.431 4.227 5 20 IIBD CCCOc1cc(NC(=O)[C@@H]2CC(c3ccccc3)=NO2)c([N+](=O)[O-])cc1OCCC 915141370 GNKHDLREZVZGHB-NRFANRHFSA-N 427.457 4.304 5 20 IIBD C[C@H]1CCN(C(=O)COC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c2ccccc2S1 917263525 QLSLHXGUWXHDLD-ZDUSSCGKSA-N 426.450 4.415 5 20 IIBD Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)OCc3cc(F)ccc3[N+](=O)[O-])cc2)cc1 917291509 ZFSCMZIJQNFDJW-UHFFFAOYSA-N 443.452 4.373 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)CCn2cc(Cl)cn2)c2ccccc2)c([N+](=O)[O-])c1 919573577 GVFRVJMTUBYDGI-FQEVSTJZSA-N 442.859 4.066 5 20 IIBD Cc1c(C(=O)NCc2ccc(Br)cc2Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] 921158588 GIMMNUMSHPEXJU-UHFFFAOYSA-N 428.626 4.157 5 20 IIBD O=C(OCCOc1ccccc1[N+](=O)[O-])c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1 1115880753 UMELKLVUTWMAFK-UHFFFAOYSA-N 444.447 4.442 5 20 IIBD CC1CCN(CCc2nnc(-c3ccc(N4C[C@H](C)C[C@@H](C)C4)c([N+](=O)[O-])c3)o2)CC1 1257896839 DUHKDEMZAKSTET-QZTJIDSGSA-N 427.549 4.402 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 1317844272 WTDPRJJKQIXARP-OAQYLSRUSA-N 436.537 4.227 5 20 IIBD COc1cc(Br)c(OC)c(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)c1 1322519069 BSVHKDZGFJTDAG-UHFFFAOYSA-N 447.245 4.017 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 1324313238 VETITUIXQLINPC-IRXDYDNUSA-N 446.548 4.136 5 20 IIBD COc1c(-c2nnc(COc3ccccc3[N+](=O)[O-])o2)sc(C)c1Br 1326137518 RBAFEKFFDLHAAO-UHFFFAOYSA-N 426.248 4.365 5 20 IIBD CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c4c3OCO4)cc2)CCC1 1790095031 WIARENCRFLBBKQ-UHFFFAOYSA-N 439.468 4.117 5 20 IIBD Cc1c[nH]cc1C(=O)NC1(c2ccc(NC(=O)c3cccc(F)c3[N+](=O)[O-])cc2)CCC1 1790699033 UIFLDXVUNUDHCV-UHFFFAOYSA-N 436.443 4.432 5 20 IIBD Cc1c(Cl)cccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])o1)C2 1792744441 YCUSOILZQHPSTF-SSCFBFAFSA-N 443.887 4.115 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC2(CCCN(C(=O)[C@@H]3CC=CCC3)C2)CC1 1805405462 HDBQCGCNVWUPBL-RJRNSMGGSA-N 437.540 4.196 5 20 IIBD Cc1ccoc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1827740906 GYZMOTMORRCQKO-IBGZPJMESA-N 443.475 4.182 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3CCCCC3)CC2)ncc1[N+](=O)[O-] 1827828702 JMLXLUQQUXWPON-OAQYLSRUSA-N 442.560 4.112 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CCCCN2C(=O)C23CC(C2)C3)CC1 1832470614 RPOPHXHWLOCHQD-GUKDSYMFSA-N 437.540 4.028 5 20 IIBD O=C(C1=CCCC1)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1832902936 GKCICDCPCPSVNJ-CHHLAKQQSA-N 437.540 4.338 5 20 IIBD CN(C(=O)COC(=O)c1ccc(C2SCCCS2)cc1)c1ccc([N+](=O)[O-])cc1 11275308 XXFRDQSTZDRDSQ-UHFFFAOYSA-N 432.523 4.283 5 20 IIBD C[C@@H](OC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 11468092 YYVMTMXYHDZHMY-SNVBAGLBSA-N 430.766 4.380 5 20 IIBD C[C@@H](OC(=O)c1cc(-c2ccccc2)[nH]n1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 18748562 YHPCUAFTGXEAIK-LLVKDONJSA-N 448.357 4.188 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])Nc1nc(-c2cccc(Br)c2)cs1 40934519 AONNLUKNGMWYLA-UHFFFAOYSA-N 434.271 4.498 5 20 IIBD COCCN(C(=O)Cc1ccc2c(c1)CCC2)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 58998631 VSGRMQISLNDMRX-UHFFFAOYSA-N 437.521 4.429 5 20 IIBD Cc1nc(-c2ccc(Cl)c(Cl)c2)n(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)n1 78875327 BQHQTMIHHSFYLT-UHFFFAOYSA-N 432.267 4.058 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCCc2cc(Br)ccc21 108423944 PHTGQZHJYOITEG-UHFFFAOYSA-N 427.258 4.136 5 20 IIBD CCOC(=O)N(C)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 108806520 SEUMTNYNUXTMOJ-UHFFFAOYSA-N 426.473 4.430 5 20 IIBD CCCNC(=O)c1ccc(NC(=O)c2cc(OC)c(OCC)cc2[N+](=O)[O-])cc1Cl 108874428 GNZDDDGOULOEGF-UHFFFAOYSA-N 435.864 4.048 5 20 IIBD CCCCN(C(=O)c1cc(C(=O)OCC)cc([N+](=O)[O-])c1)C1CC(C)(C)NC(C)(C)C1 109143774 WSHRGKGPPLEQKB-UHFFFAOYSA-N 433.549 4.323 5 20 IIBD COC(=O)c1cc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)cc([N+](=O)[O-])c1 139625267 WTNBAGLJIJPFNX-SFHVURJKSA-N 428.491 4.292 5 20 IIBD COc1cc(CNC[C@@H]2CCOc3ccccc32)c([N+](=O)[O-])cc1OCC(F)(F)F 237439800 ZMMWPWOLTYPYPT-ZDUSSCGKSA-N 426.391 4.200 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N1CCC(OC2CCCC2)CC1 301106699 IXNWHZXHTBPUAF-UHFFFAOYSA-N 445.541 4.324 5 20 IIBD CS(=O)(=O)c1cccc(Oc2ccc(Nc3nc4sccn4c3[N+](=O)[O-])cc2)c1 301372541 QTLGFWADBOKUEC-UHFFFAOYSA-N 430.467 4.243 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(NCCc2cc(Cl)ccc2Br)s1 301938923 SKJAETKMRNRTHA-UHFFFAOYSA-N 439.740 4.130 5 20 IIBD C[C@@H](CCc1ccc(Br)cc1)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O 302678397 VPMMSWPXZPMIFF-LBPRGKRZSA-N 427.320 4.194 5 20 IIBD CCOC(=O)Cn1ccc2cc(NC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)ccc21 426108724 ACBSHNJMZZGQLF-UHFFFAOYSA-N 436.468 4.309 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](OCCCc3ccccc3)C2)cc1SC 430455550 MKACZPPBVBILHV-KRWDZBQOSA-N 430.526 4.189 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nnc(SCc3cccs3)s2)c1C 431331690 JJTPDYCOWLMPLT-UHFFFAOYSA-N 442.569 4.218 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 432042235 VYXUTSHSSPVZIL-INIZCTEOSA-N 444.557 4.000 5 20 IIBD C[C@@H]1CN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC[S@@](=O)C1 432608179 RQTCPMHYYUFBLA-DBDZUICISA-N 438.958 4.240 5 20 IIBD O=C(c1ccc(Cl)cc1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)N1CCCCC1 433726959 FEAZXSUGDNHPIT-IBGZPJMESA-N 442.903 4.092 5 20 IIBD O=C(N[C@H](CC1CCCC1)c1ccccc1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 435912026 RYTPYZOKHJJTAA-LJQANCHMSA-N 435.480 4.300 5 20 IIBD O=C(Nc1cccc(N2CCCCCC2)c1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 437069524 RDQVVEXRMGDYKT-UHFFFAOYSA-N 436.512 4.105 5 20 IIBD Cc1ccc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(Br)c1 438654454 GJCXDFSFBYLEKG-UHFFFAOYSA-N 434.290 4.041 5 20 IIBD COCCOc1cc(C)ccc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 438809317 IIGGDBCYKSDJDJ-UHFFFAOYSA-N 435.285 4.036 5 20 IIBD Cc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)Nc1ccccc1F 438980783 UZTJVLUNOGXQAM-UHFFFAOYSA-N 443.456 4.024 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 439882927 MCUFKUHISBRIBK-CYBMUJFWSA-N 427.383 4.078 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1CC[C@H]([C@@H]2CCOC2)C1 441657582 JPCQIFWLCHYYGS-FVJLSDCUSA-N 429.904 4.286 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Cc1csc(C2CCCC2)n1 443186247 XBGQKSIAEGMFQN-UHFFFAOYSA-N 431.333 4.445 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CS(=O)(=O)Cc1cc(C)nc(-c2ccc(Cl)cc2)n1 443447214 OLYNYJYUGXSCPS-UHFFFAOYSA-N 447.900 4.137 5 20 IIBD CC1CCN(c2ccc(C(=O)NC[C@]3(O)CCC[C@@H](C(F)(F)F)C3)cc2[N+](=O)[O-])CC1 444468569 QVVNPHRYQXYNMI-UZLBHIALSA-N 443.466 4.045 5 20 IIBD COc1ccccc1OCC(=O)Nc1cccc(NC(=O)CCc2cccc([N+](=O)[O-])c2)c1 445986799 YMSGCWSQTJWZQR-UHFFFAOYSA-N 449.463 4.192 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 446489356 XWZABCGRARJVTQ-AWEZNQCLSA-N 433.306 4.314 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Nc2cccc(-c3noc(C(F)(F)F)n3)c2)cc1[N+](=O)[O-] 447268037 RLPWYDCTPDTADB-UHFFFAOYSA-N 442.375 4.081 5 20 IIBD Cn1c(CCNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])nnc1-c1ccccc1 447680164 GIBOGNRHXFDYCA-UHFFFAOYSA-N 442.348 4.094 5 20 IIBD CO[C@@H]1CCOc2c(NC(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)cccc21 448046977 CRQNATJGBJPQQA-MRXNPFEDSA-N 425.363 4.405 5 20 IIBD Cc1cc(-c2noc(CCC(=O)N3CCS[C@H]3c3ccc([N+](=O)[O-])cc3)n2)ccc1F 460367873 XDYUYMOOZIDOLD-NRFANRHFSA-N 442.472 4.299 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@@H]3c3ccsc3)n2C[C@H]2CCOC2)c1 461590384 REXDUZJUAFVTHU-DNVCBOLYSA-N 425.514 4.293 5 20 IIBD CCOc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc1Br 463443544 PBBFRJXRDQQDKH-UHFFFAOYSA-N 429.292 4.174 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C 463968870 NCHSLSRLPMIBLD-SFHVURJKSA-N 426.473 4.164 5 20 IIBD Cc1c2ccc(NC(=O)NCCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2nn1C 463969149 ZDVDMXXQIIYMFL-UHFFFAOYSA-N 436.394 4.042 5 20 IIBD CN(Cc1ccccc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-])C(=O)c1cccs1 464064874 MBRNVRUBKQZYSH-UHFFFAOYSA-N 438.509 4.003 5 20 IIBD O=C(CN(CCCOc1ccccc1)C1CCOCC1)Nc1ccc([N+](=O)[O-])cc1Cl 464588637 WOGQZXYQFABMGP-UHFFFAOYSA-N 447.919 4.137 5 20 IIBD CCCn1ccc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)cc21 465160170 TWCHSCDBFCVOHY-INIZCTEOSA-N 426.498 4.264 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])N(Cc1cc(Br)ccc1F)C1CC1 466153769 LNFNECSOGMPPSN-UHFFFAOYSA-N 436.281 4.413 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1n[nH]c(-c2ccccc2)c1Br 466318117 PHWDOMFMEHCEHX-UHFFFAOYSA-N 435.665 4.331 5 20 IIBD COC[C@H]1CCCCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 466836235 SKHGEDZSVLJKCK-IBGZPJMESA-N 448.523 4.265 5 20 IIBD O=C(Nc1cc(Br)c(F)cc1F)C1CCN(c2ccccc2[N+](=O)[O-])CC1 467021601 KFTFBFYYIARXGR-UHFFFAOYSA-N 440.244 4.491 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(=Cc2ccc(F)c(F)c2)CC1 469446531 PKXOVVLGBXXOGO-UHFFFAOYSA-N 431.439 4.390 5 20 IIBD C[C@H]1[C@H](C)CCC[C@H]1n1c(SCCn2cc([N+](=O)[O-])cn2)nc2ccccc2c1=O 470849926 XLLAFASCXZXIGT-ZRGWGRIASA-N 427.530 4.291 5 20 IIBD CN(C)CC1CCN(c2ccccc2NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 471218462 BVUHMWMCWCKDEE-UHFFFAOYSA-N 437.544 4.199 5 20 IIBD COc1ccccc1[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])OC(C)C 471564854 GWLUNAIPNTWXPJ-SFHVURJKSA-N 437.290 4.262 5 20 IIBD C[C@H](NC(=O)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 474116374 SPDQIPQXZDCIOW-MGPLVRAMSA-N 431.798 4.361 5 20 IIBD O=C(c1cc2cc(F)ccc2s1)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 478079808 IXQUKOWFILRXOD-UHFFFAOYSA-N 439.472 4.177 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)c1cc(Br)cc([N+](=O)[O-])c1 478239164 TWDMPHUGHWXXSS-LSDHHAIUSA-N 427.201 4.245 5 20 IIBD O=C(c1ccccc1C(F)(F)F)N1CCC(NCc2ccc([N+](=O)[O-])cc2F)CC1 479397469 WWQBOLJCIJIALX-UHFFFAOYSA-N 425.382 4.147 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nnc1-c1ccccn1 479744541 MPEIAQSWPUVRNF-NSHDSACASA-N 432.893 4.041 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)c1[N+](=O)[O-] 480197493 NCBQDDTXUOVYSX-UHFFFAOYSA-N 439.493 4.289 5 20 IIBD CCn1c(SC[C@H](O)COc2ccc(Cl)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 480373274 VLFURFYWDXSAJX-MRXNPFEDSA-N 434.905 4.059 5 20 IIBD CC(C)c1[nH]nc(C(=O)N[C@@H](c2cc(F)cc(Br)c2)C2CC2)c1[N+](=O)[O-] 482026974 POKIQNBHJLBNEJ-CQSZACIVSA-N 425.258 4.224 5 20 IIBD CC[C@H](NCCC(=O)N(C)Cc1ccccc1Br)c1cccc([N+](=O)[O-])c1 482889959 MWUUZEIWURHSLG-IBGZPJMESA-N 434.334 4.447 5 20 IIBD CCc1c(NC(=O)NCc2cc([N+](=O)[O-])ccc2OC)cnn1-c1cccc(Cl)c1 485310840 OGCVZDWWGXJGRZ-UHFFFAOYSA-N 429.864 4.327 5 20 IIBD CCC(C)(C)NC(=O)c1ccc(NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1Cl 486143387 JNVDSHGQOYNUPL-UHFFFAOYSA-N 444.919 4.168 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N(Cc1ncc[nH]1)c1cccc(F)c1 486206736 XMTWDZPVPLHYEN-UHFFFAOYSA-N 425.239 4.128 5 20 IIBD CCOC(=O)CN(C(=O)c1sc(Br)cc1[N+](=O)[O-])[C@@H](C)c1ccccc1 486428572 ZENPQQWOOFXQMT-NSHDSACASA-N 441.303 4.185 5 20 IIBD Cc1ccc(C(=O)c2ccccc2C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1C 487059542 IZDHTQQTAAJNDI-UHFFFAOYSA-N 432.480 4.116 5 20 IIBD COc1cc(SC)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1I 487432557 PCBCICACUPWVJG-UHFFFAOYSA-N 444.250 4.182 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)Cc2csc(NC(=O)c3cccs3)n2)cc1[N+](=O)[O-] 488116199 XCUAGCNOOWMHSE-GFCCVEGCSA-N 430.511 4.093 5 20 IIBD CC(C)c1nccn1Cc1cccc(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 488373596 NWOVWXMJSGIGSO-UHFFFAOYSA-N 437.504 4.029 5 20 IIBD Cc1c(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cccc1C(=O)Nc1ccccc1 488383844 ZAAHGQXTLPLIFS-UHFFFAOYSA-N 448.483 4.221 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C(=O)NCc2ccccn2)c1 488584153 DNYDVGNXLOIMNL-UHFFFAOYSA-N 436.493 4.284 5 20 IIBD COc1ccc(Cn2ccc(NC(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2)cc1 488651007 QOYVSSBSRGNORM-UHFFFAOYSA-N 449.389 4.189 5 20 IIBD O=C(NCc1ccc(O)c(Br)c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 488670903 CQFPKSKSYWYDJP-UHFFFAOYSA-N 434.271 4.116 5 20 IIBD CCc1c(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cnn1-c1ccc(Cl)cc1 489064607 AHOGFQAEPYZZCR-UHFFFAOYSA-N 443.895 4.062 5 20 IIBD O=C(Nc1ccc(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1)c1ccco1 489602067 DVKNHTYNCCRELM-UHFFFAOYSA-N 434.452 4.314 5 20 IIBD O=C(CSc1ncnc2c1cnn2-c1ccc(Cl)cc1)Nc1ccccc1[N+](=O)[O-] 489830058 MCUOYYVWCLYKBO-UHFFFAOYSA-N 440.872 4.108 5 20 IIBD O=C(Nc1ccc(-c2ccco2)cc1F)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 490505810 RLRVFKDZRVELKE-UHFFFAOYSA-N 444.444 4.045 5 20 IIBD COc1ccc(CNC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)cc1[N+](=O)[O-] 491206481 DYFTZZDWTSDHCE-UHFFFAOYSA-N 436.399 4.184 5 20 IIBD CN1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3Cl)CC[C@H]21 493946686 IRUIQIXERHIOOZ-HTAPYJJXSA-N 442.947 4.417 5 20 IIBD O=C(NCc1ccccc1COCc1ccccc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 494687425 QWXULIASFZOEFI-UHFFFAOYSA-N 449.511 4.055 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@H](C)c3ccc4c(c3)CC(=O)N4)cc2[N+](=O)[O-])C1 501038925 ZMDOMELCJQDALB-BZUAXINKSA-N 436.512 4.063 5 20 IIBD Cc1nc(-c2ccc([C@H](C)NS(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)cc2)cs1 503459074 QHPAXZSPJXUSHJ-AWEZNQCLSA-N 431.539 4.250 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1cc(Br)ccc1OC(F)F 504942089 HPWZLKHXIAUNKN-UHFFFAOYSA-N 447.257 4.367 5 20 IIBD O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 505171112 LRSNHBPRYQJOIX-UHFFFAOYSA-N 449.866 4.034 5 20 IIBD COc1cc(OCC(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)ccc1[N+](=O)[O-] 505335970 RJPVNXYSASTZRV-UHFFFAOYSA-N 434.754 4.215 5 20 IIBD CN(CCCc1cc(-c2ccccc2)no1)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] 507015285 OASDUIBLKYMWRY-UHFFFAOYSA-N 445.479 4.283 5 20 IIBD Cc1ccc(Sc2ccc(CNc3cccc(S(N)(=O)=O)c3)cc2[N+](=O)[O-])cc1 508681214 WKBLMEJGOOLMLQ-UHFFFAOYSA-N 429.523 4.314 5 20 IIBD CCCc1nc(C)c(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)s1 509344397 MZGLKELZBZCFQN-UHFFFAOYSA-N 445.282 4.478 5 20 IIBD CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 512040388 MCTWGXOOQMNVMW-UHFFFAOYSA-N 435.267 4.484 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2ccc(OC)c(F)c2)cc1 512303512 UAMYTYIHBFJDDQ-UHFFFAOYSA-N 426.400 4.473 5 20 IIBD Cc1cc(Cl)ccc1OCC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 512608657 WOZMZIVBAAXZSF-QGZVFWFLSA-N 434.876 4.135 5 20 IIBD CCOc1ccc([C@H](C)NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1OC 515191941 HOXXUBUJJINOMN-LBPRGKRZSA-N 428.894 4.003 5 20 IIBD CCCCN1C(=O)C[C@H](C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(OC)cc1 515681737 RZLKAJABQPQFGQ-XORNHQRDSA-N 439.512 4.171 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCCCCNc3ccccn3)cc2[N+](=O)[O-])C1 517581415 OQTGRUGSEGFDAL-QZTJIDSGSA-N 425.533 4.094 5 20 IIBD CC(C)C(=O)NC[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 522368950 KDNRUAZGJULJLJ-QGZVFWFLSA-N 441.553 4.370 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@H]1CC(=O)N(Cc2ccccc2)C1 522671126 WSKFJKSSVRGUFL-SFHVURJKSA-N 431.448 4.374 5 20 IIBD CCN(C(=O)[C@H](C)SCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccccc1 522716498 GQODLIZZUHNWRG-HNNXBMFYSA-N 429.498 4.068 5 20 IIBD Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 523491358 KBASXPOQJHRQFO-CQSZACIVSA-N 436.281 4.204 5 20 IIBD CNc1ccc(C(=O)N2CCCC[C@H]2CCc2ccc(OC)c(OC)c2)cc1[N+](=O)[O-] 523834724 HIEZPEGIPKPCEZ-SFHVURJKSA-N 427.501 4.281 5 20 IIBD O=C(Nc1cc(C2CC2)nn1-c1ccccc1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 530666825 COXHAEQSRDMPOH-UHFFFAOYSA-N 432.484 4.012 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@H](C)Cc3nc4ccccc4s3)cc2)c(C)c1[N+](=O)[O-] 532354553 VUGDTWAHXYROCL-CQSZACIVSA-N 449.536 4.427 5 20 IIBD O=C(Nc1nnc(CC(F)(F)F)s1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 532539106 KKOVNJUKDKKSMF-UHFFFAOYSA-N 437.403 4.416 5 20 IIBD C[C@@H]1CSc2ccccc2N(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 532827344 MMSCNXSGXKHXGJ-AWEZNQCLSA-N 427.482 4.058 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 536275165 NHWFUZRQVHDROF-FQEVSTJZSA-N 444.894 4.364 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)CSc1ccc([N+](=O)[O-])cc1 538041968 COXBSRYAHVBEIW-KZULUSFZSA-N 439.331 4.342 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)[C@H](C)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] 540208573 VFZDFPRKTGFTKS-LKFCYVNXSA-N 449.348 4.010 5 20 IIBD O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C/c1ccc(OCC(F)(F)F)c(F)c1 544638158 MRGQQYAMODJSCA-GHXNOFRVSA-N 435.333 4.329 5 20 IIBD CCN(CC)CCOc1ccccc1-c1noc(-c2cc(O)nc3ccc([N+](=O)[O-])cc23)n1 546304253 WRYKNHJTCKFZOH-UHFFFAOYSA-N 449.467 4.286 5 20 IIBD COc1ccc(-c2cc3nc(CN[C@H](C)c4cccc([N+](=O)[O-])c4)[nH]c(=O)c3s2)cc1 551264715 MJAAITUUJQZPBH-CYBMUJFWSA-N 436.493 4.419 5 20 IIBD Cn1ccnc1[C@H](Nc1cccc(I)c1)c1ccc([N+](=O)[O-])cc1 552070466 QSBDJPVLCQKCEP-MRXNPFEDSA-N 434.237 4.134 5 20 IIBD COc1ccc2oc([C@H](C)NC(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c(C)c2c1 553127440 VCQVBXPGIZKYMU-NSHDSACASA-N 431.832 4.127 5 20 IIBD COc1cccc(C(F)(F)CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])n1 560776638 JVRLCZJFIMRATO-UHFFFAOYSA-N 443.406 4.099 5 20 IIBD CCOc1cc(CN[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)ccc1OCCn1c([N+](=O)[O-])cnc1C 572887230 LQAAAEUGJBFFMR-DCEDVJGZSA-N 448.523 4.005 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCC2(OC)CCC(c3ccccc3)CC2)cc1OC 576968628 CBIMCAFBPBXHFR-UHFFFAOYSA-N 442.512 4.475 5 20 IIBD CS(=O)(=O)c1cc(C(=O)Nc2cccc(-c3ccc(F)cc3Cl)n2)cc([N+](=O)[O-])c1 578089649 XCKIFFBLEQWKDP-UHFFFAOYSA-N 449.847 4.105 5 20 IIBD CSc1ccc([C@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])N(C)C)cc1 582144389 JYLYJMVNNKKURN-KRWDZBQOSA-N 427.448 4.368 5 20 IIBD Cc1ccc(C)c(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)o2)c1 594640581 ILCJGQCPMDXOLE-UHFFFAOYSA-N 428.470 4.213 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F 603952798 BFLGHNXVGHOZQW-UHFFFAOYSA-N 437.374 4.370 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ncc(Cc2cc(F)cc(F)c2)s1 604083592 NQPDJCGPAIKRAY-UHFFFAOYSA-N 434.424 4.251 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cccc(-c3n[nH]c4c3CCCC4)c2)cc([N+](=O)[O-])c1 604240634 GJVBCLYBHXYSSB-UHFFFAOYSA-N 434.452 4.293 5 20 IIBD O=C(CC1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1)NC1CCCC1 604517727 QZBFVEXDIKNPMU-UHFFFAOYSA-N 442.541 4.019 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCCOc2ccccc2C(F)(F)F)cc1SC 609299343 KKGRQUFFIWFGTG-UHFFFAOYSA-N 430.404 4.153 5 20 IIBD Cc1cccc(Oc2ccc(NC(=O)[C@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)cn2)c1C 609666852 GGSZXBUTHBACEA-INIZCTEOSA-N 434.452 4.156 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 611202100 PNCMYWZJAKWRJG-HNNXBMFYSA-N 449.960 4.243 5 20 IIBD CCCOc1c(Cl)cc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)cc1OC 619214085 BZYQSLUTMOLFFQ-UHFFFAOYSA-N 436.848 4.459 5 20 IIBD COc1ccccc1Oc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)cc1F 619467133 POKHJVUIWYPWSM-UHFFFAOYSA-N 448.428 4.344 5 20 IIBD Cc1nc([N+](=O)[O-])c(Br)n1Cc1coc(-c2ccc(Br)cc2)n1 726431069 LPEPYABGTKKXRR-UHFFFAOYSA-N 442.067 4.328 5 20 IIBD C[C@@H](c1ccc(Cl)cc1)N(CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 726585909 BIQBQSJNHPLXIV-AWEZNQCLSA-N 428.876 4.200 5 20 IIBD COC(=O)c1coc(COC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c1 726636358 LWMHQBDXWFKLGR-UHFFFAOYSA-N 434.451 4.248 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(CC[C@H](O)c2ccccc2)cc1 727359920 DDWHPLFMGDPMQJ-NRFANRHFSA-N 426.494 4.370 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@H]1CCc2ccc(Cl)cc21 727963464 SRCLTGUWYLOYLA-OALUTQOASA-N 448.928 4.330 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1cc(F)c(Cl)nc1Cl)c1ccccc1[N+](=O)[O-] 728806925 SBQHAOYADHMWEX-CYBMUJFWSA-N 444.246 4.249 5 20 IIBD COc1cc(COC(=O)c2cccc(Br)c2O)c([N+](=O)[O-])cc1OC(F)F 730365248 MLQKEIGLZLZBCB-UHFFFAOYSA-N 448.172 4.030 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)Oc1ccc(C(=O)N2CCc3sccc3C2)cc1 731335766 RCIGURYFZXSIEW-UHFFFAOYSA-N 438.461 4.083 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCC[C@@H](N4CCCCC4=O)C3)c([N+](=O)[O-])c2)cc1 732805925 SLKUBIGEHQKSRK-HXUWFJFHSA-N 436.512 4.137 5 20 IIBD CN1C(=O)CC[C@@H](C(=O)OCc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(C(F)(F)F)cc1 734639465 MWJHXUCDTWSJNY-APWZRJJASA-N 436.386 4.267 5 20 IIBD CC[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1I)C(=O)c1ccccc1 738642199 RKPGFZNGDSGIIZ-OAHLLOKOSA-N 439.205 4.018 5 20 IIBD CCCN(CCC)C(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)cc1 742027482 FXSJJONRPXOXGN-UHFFFAOYSA-N 437.493 4.105 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cn1c(=O)n(Cc2ccccc2)c2ccncc21 742146712 XIUKGGLSSFOYEN-UHFFFAOYSA-N 431.496 4.023 5 20 IIBD C[C@H](CCc1cccc(F)c1)C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 744116879 NGWCWLVLGFRZNT-APWZRJJASA-N 428.460 4.151 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)C2(c3ccccc3Cl)CCOCC2)cccc1[N+](=O)[O-] 744987747 PIJGBNDPBXFBSJ-OAHLLOKOSA-N 446.887 4.175 5 20 IIBD C[C@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)NCc1ccc(Cl)cc1 747958691 SZPYAAZVDZKBQR-LBPRGKRZSA-N 445.884 4.233 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCN(C)CC2)c(Cl)c1 749134706 RDKOICIWKINUOY-CQSZACIVSA-N 434.949 4.119 5 20 IIBD COc1cc(CN2CCC[C@@H]2C[C@@H](O)c2cccs2)c([N+](=O)[O-])cc1OC(F)F 750837198 IRJRUCUOUFQNRR-UKRRQHHQSA-N 428.457 4.354 5 20 IIBD Cn1ccnc1Sc1ccc(Cl)cc1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 751123339 XWRLTYUQYKUEIH-UHFFFAOYSA-N 442.888 4.121 5 20 IIBD CCCc1c(C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cnn1C1CCCC1 751848386 IFADRMVZCZHKCM-UHFFFAOYSA-N 425.445 4.266 5 20 IIBD C[C@H](OC(=O)/C=C/c1cccc(O)c1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 753463443 HOGWMBVBBNCIRZ-XEHSLEBBSA-N 439.449 4.008 5 20 IIBD CN(CCOc1cccc(Cl)c1)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754631938 OMPKKANRAFADNN-UHFFFAOYSA-N 431.645 4.301 5 20 IIBD CC1CCN(c2ccc(CNC(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)cn2)CC1 755031218 REPAXOCZIXUPIN-UHFFFAOYSA-N 448.321 4.310 5 20 IIBD CCOC(=O)/C=C\c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1 755084867 OINZCHIISRVPIM-YHYXMXQVSA-N 433.258 4.115 5 20 IIBD O=C(OCc1noc(-c2cccc(Cl)c2)n1)c1cc([N+](=O)[O-])ccc1Br 756394126 BKXDVPDDDIEXAP-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD O=C(NCc1ccc(COCC(F)(F)F)cc1)NCc1cc([N+](=O)[O-])ccc1Cl 756915714 AZNIFSWSPYQZOS-UHFFFAOYSA-N 431.798 4.327 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CC2(CCC2)Oc2ccccc21 757816590 LCUFACOQPDCASL-QGZVFWFLSA-N 431.286 4.463 5 20 IIBD C[C@H](OC(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 757849063 HSLTYXMCXISWCY-INIZCTEOSA-N 447.447 4.055 5 20 IIBD CC(C)Cn1ncc(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1C(F)F 758850160 PAXVUABPWOWWAB-NSHDSACASA-N 435.387 4.353 5 20 IIBD O=C(NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1(c2c(Cl)cccc2Cl)CC1 759552997 OGYROXHDBRFXIH-UHFFFAOYSA-N 449.699 4.092 5 20 IIBD Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 760791513 HFFDEBMNQJEOLI-VIFPVBQESA-N 442.211 4.302 5 20 IIBD O=[N+]([O-])c1ccc(I)c(-c2nc(-c3cnc4ccccc4c3)no2)c1 761614366 NXXYEGWUBSMCCG-UHFFFAOYSA-N 444.188 4.465 5 20 IIBD CSCC[C@H](NC(=O)OC(C)(C)C)c1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 762306910 ALMKMLKYDNXQGL-INIZCTEOSA-N 447.517 4.369 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCC3CN(C(=O)OC(C)(C)C)C3)c([N+](=O)[O-])c2)cc1 762551445 FPNYNJLMSGBDIE-UHFFFAOYSA-N 440.500 4.434 5 20 IIBD CC(C)(C)OC(=O)N1CCc2ccc(OC(=O)c3cc(F)c([N+](=O)[O-])cc3F)cc2C1 763528751 SNFOEHJQESIVFC-UHFFFAOYSA-N 434.395 4.385 5 20 IIBD O=C(OCc1nc(-c2cc(Br)cs2)no1)c1ccc([N+](=O)[O-])c(Cl)c1 763720197 QSZARZJUUKUDNM-UHFFFAOYSA-N 444.650 4.479 5 20 IIBD CC(=O)Nc1ccc(Cl)c(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 768109473 PADGAADSMBXRFJ-SNVBAGLBSA-N 430.804 4.175 5 20 IIBD CCOc1ccc(-n2c(S/C=C/c3ccc([N+](=O)[O-])o3)nnc2-c2cnccn2)cc1 768401413 FXPYWCOHANSAOM-FMIVXFBMSA-N 436.453 4.387 5 20 IIBD CC(=O)[C@H](Cc1ccc(Cl)cc1F)OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 768650702 WZCJVYNFNZCXBR-KRWDZBQOSA-N 438.795 4.269 5 20 IIBD COc1cc(CN2CCC(N(C)CC(F)F)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 769517774 XENCYBMCQUXWLU-UHFFFAOYSA-N 449.498 4.344 5 20 IIBD Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 771468394 KARYFIKILGEZDG-REBWPMHBSA-N 431.496 4.199 5 20 IIBD CC(C)c1ccc2cc(C(=O)N3CCCN(c4nc5ccc([N+](=O)[O-])cc5[nH]4)CC3)[nH]c2c1 773991348 ADXJZQTYOCEYNE-UHFFFAOYSA-N 446.511 4.428 5 20 IIBD CSc1cccc(N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(Br)cc2C)c1 777624824 XZBSJNCDGURKSM-UHFFFAOYSA-N 431.333 4.213 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 778761750 SKMCDVDWWHLANI-DVXDUOKCSA-N 444.484 4.237 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1csc(-c2ccc(F)c(F)c2)n1 780133688 HDNLTTXQANKGTK-UHFFFAOYSA-N 444.375 4.404 5 20 IIBD Cc1cc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n(-c2cccc(Cl)c2)n1 781595191 ZBFQWQWXTAQLOA-UHFFFAOYSA-N 429.820 4.222 5 20 IIBD CCCC[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1Br)C(=O)Nc1cc(C)on1 781675909 ZMGKNWBGBSLSQC-CYBMUJFWSA-N 440.250 4.008 5 20 IIBD Cc1c(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 782425844 WJSFWDIKZMVTOF-UHFFFAOYSA-N 428.279 4.299 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N[C@H](Cc1ccccc1)c1ccccc1F 783327480 PPTNRXGZSIAXOB-LJQANCHMSA-N 441.846 4.426 5 20 IIBD Cc1c(C(=O)OCc2ccc([N+](=O)[O-])c(F)c2)nnn1Cc1ccc(C(F)(F)F)cc1 787149653 KXUSOENOQGDSEZ-UHFFFAOYSA-N 438.337 4.058 5 20 IIBD O=C(Nc1cc(Br)cnc1Cl)c1ccc([N+](=O)[O-])cc1Br 787960794 RMEAJOBPTQSYAS-UHFFFAOYSA-N 435.459 4.421 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OCc2nnc3n2CCCCC3)cc1 788914264 OSLSDBJJXGBARE-UHFFFAOYSA-N 438.440 4.071 5 20 IIBD COCC[C@@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 790422746 ZBCAMEQWCUHLME-CQSZACIVSA-N 437.276 4.097 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2CN(C)C(=O)OC(C)(C)C)c1[N+](=O)[O-] 790633764 GJVZNHNJQMRCRT-UHFFFAOYSA-N 449.529 4.379 5 20 IIBD Cc1c(Cl)cccc1N1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)CC1 791100934 ZNAGSVQPTCEZHP-UHFFFAOYSA-N 432.864 4.126 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc([N+](=O)[O-])c1C 791692018 JRRABKIXFKNXCN-JTQLQIEISA-N 427.240 4.403 5 20 IIBD CC(C)(C)OC(=O)N1CC=C(CCNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 793403942 SGUHRVLMRKBICO-UHFFFAOYSA-N 432.521 4.086 5 20 IIBD COc1ccc(OC)c([C@@H]2CCCN2C(=O)COc2cc(F)c([N+](=O)[O-])cc2Cl)c1 795246980 AKYKMTPEBAOKOT-INIZCTEOSA-N 438.839 4.147 5 20 IIBD COc1ccc(CN(CCc2ccccn2)c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)cc1 795272880 JIQAYEPWGHQWLI-UHFFFAOYSA-N 432.480 4.132 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CCC(c2cc3ccccc3[nH]2)CC1 796497712 DKQYMEKBLMYIJQ-UHFFFAOYSA-N 430.464 4.409 5 20 IIBD O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1O)c1cc(S(=O)(=O)C2CCCC2)ccc1F 797747823 FRJGFYOACYEDFH-UHFFFAOYSA-N 442.852 4.062 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@H]1COc2cc(F)c(Br)cc21 800330428 WNXQOYXJUPELGM-CYBMUJFWSA-N 447.619 4.081 5 20 IIBD O=C(NC[C@H](NCc1ccccc1)c1ccco1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 804274506 OGCNOHPMMLGIRQ-QFIPXVFZSA-N 448.523 4.439 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Br)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 808914441 JUOZRPVBCSOKGC-AOIWGVFYSA-N 431.286 4.002 5 20 IIBD CSc1cccc(C(=O)OCC(=O)c2ccc(C(F)(F)F)nc2Cl)c1[N+](=O)[O-] 811189403 VNIBSNRTLUVYFO-UHFFFAOYSA-N 434.779 4.424 5 20 IIBD CCOCCOCc1cccc(CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 812911924 DWAMYTRKAVHHHP-UHFFFAOYSA-N 427.284 4.385 5 20 IIBD CC[C@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 815022319 OFNLFOYPZOZSON-QMMMGPOBSA-N 447.819 4.292 5 20 IIBD C/C(=C\C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)c1ccccc1C(F)(F)F 819212690 VDCHTMQDSDIHPH-CCEZHUSRSA-N 447.413 4.002 5 20 IIBD Nc1ccc(NC(=O)Cc2csc(-c3cc(Br)cs3)n2)cc1[N+](=O)[O-] 819899906 WHITXOPZMGSFDW-UHFFFAOYSA-N 439.316 4.306 5 20 IIBD COc1cc(OC)c(OC)cc1CNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 914863498 YQXZTADCTFRQBU-UHFFFAOYSA-N 431.323 4.160 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NCc2ccccc2CN2CCCC[C@@H]2C)c1[N+](=O)[O-] 917072293 FXIWRUMTVWIDOL-HNNXBMFYSA-N 428.489 4.290 5 20 IIBD COc1cc(C)c([C@H](C)NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)cc1OC 917171325 NACRLKJFUDXXPE-LBPRGKRZSA-N 447.538 4.500 5 20 IIBD O=Cc1ccc(OCC(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)c([N+](=O)[O-])c1 917177754 HVIKGMYIXNLAPR-HXUWFJFHSA-N 443.459 4.216 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC(C2CCCCC2)CC1 917336782 MBXPIPWZBFOOLU-NRFANRHFSA-N 447.601 4.265 5 20 IIBD CN([C@H]1CCCc2ccccc21)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 917856655 CTBPNDGCJWPBJA-INIZCTEOSA-N 425.304 4.055 5 20 IIBD CC1(C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)[C@H]1c1ccccc1 919928451 MTOYPFHMVRVMOC-INIZCTEOSA-N 425.304 4.129 5 20 IIBD O=c1oc2cc(OS(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])ccc2c2c1CCCCC2 920314351 UUESQIDVTPVWSX-UHFFFAOYSA-N 449.868 4.391 5 20 IIBD O=[N+]([O-])c1ccc(CN(c2nnc(C3CCCCC3)n2C[C@@H]2CCOC2)C2CC2)cc1 1263518384 MHDUSSATKUBAIS-SFHVURJKSA-N 425.533 4.440 5 20 IIBD CC(=O)N1CCCCC[C@@H]1C1CCN(Cc2ccc([N+](=O)[O-])cc2Br)CC1 1321393259 AZMNDXKXSMTLRA-HXUWFJFHSA-N 438.366 4.360 5 20 IIBD CCCOc1ccc(-c2nnc(-c3cc(C(=O)OCC)cc([N+](=O)[O-])c3)o2)cc1OC 1322207837 GDUNCLPTJMKVRT-UHFFFAOYSA-N 427.413 4.286 5 20 IIBD CC(C)(C)OC(=O)NCc1ccccc1CNc1ncc(Br)cc1[N+](=O)[O-] 1324882441 IIBNQMLGBLXLKO-UHFFFAOYSA-N 437.294 4.389 5 20 IIBD Cc1c(I)cccc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F 1325315251 DJRJFTSGCXCTRE-SECBINFHSA-N 428.201 4.389 5 20 IIBD CCOc1ccc(O[C@@H](C)c2nnc(-c3nnn(-c4cccc([N+](=O)[O-])c4)c3C)o2)cc1 1326054940 JNROBICHBWKWNP-AWEZNQCLSA-N 436.428 4.073 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(-c2nnc(CSc3ccc(C)cc3)o2)cc1OC 1341551376 GQKIVFOWMRJESB-UHFFFAOYSA-N 431.470 4.279 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccc(C2(NC(=O)c3ccc(O)cc3)CCC2)cc1 1786207893 QVZJZULVOQWPGC-ZRDIBKRKSA-N 447.447 4.355 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])NC1(c2ccc(NC(=O)[C@@H]3CCC=CO3)cc2)CCC1 1789504864 MVGZUWBMIHWGJZ-UNJYKCMZSA-N 447.491 4.435 5 20 IIBD CC(C)O[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)CCC2)cc1 1789596436 AYVDZNIOWNTTCN-OAHLLOKOSA-N 443.475 4.295 5 20 IIBD Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)C45CC(C4)C5)CCC3)cc2)cc1[N+](=O)[O-] 1790525416 WQMPBROOUHCXHV-UHFFFAOYSA-N 433.508 4.380 5 20 IIBD CCCCC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C2 1801716549 XTQYWTLQNYNSDZ-AKHDSKFASA-N 444.576 4.129 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H]1C[C@@H]2CC[C@H]1C2 1801728445 RGQIHPVGUMYZSU-BPCAWRKVSA-N 443.519 4.120 5 20 IIBD CC1=CC[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CSc2ccccc2[N+](=O)[O-])CC1 1802182083 FTLWXWVCRSXGOC-AKHDSKFASA-N 443.569 4.072 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)CC(C)(C)C)n[nH]1 1816763899 WTFFALPKNMSFEH-INIZCTEOSA-N 443.504 4.074 5 20 IIBD CC1(C)CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(F)c3[N+](=O)[O-])n[nH]2)C1 1821175191 WYEJOEAYWXYEHQ-KRWDZBQOSA-N 443.479 4.199 5 20 IIBD Cc1cccc(Cl)c1C(=O)N1CCCC12CN(C(=O)CCc1cccc([N+](=O)[O-])c1)C2 1845386057 YYHPEKGHHRIVIZ-UHFFFAOYSA-N 441.915 4.006 5 20 IIBD Cc1ccc(C)c(C(=O)CCC(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 8852536 QMOPKGQHAHHVKB-CQSZACIVSA-N 432.860 4.398 5 20 IIBD COc1ccc2cc(C(=O)O[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c(C)nc2c1 10726505 JXOVZOJFGHBCMC-CYBMUJFWSA-N 434.408 4.428 5 20 IIBD COc1cc(C(=O)Nc2nnc(C3CCCCC3)s2)c([N+](=O)[O-])cc1OC(F)F 10968569 BBSWTJXOFPMQKB-UHFFFAOYSA-N 428.417 4.356 5 20 IIBD CSc1ccc(-c2csc(NC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)n2)cc1 14345662 RRVMLZJATJCQKF-UHFFFAOYSA-N 449.535 4.096 5 20 IIBD O=C(CSc1nnc(Nc2ccccc2F)s1)N1CCc2cc([N+](=O)[O-])ccc21 16755571 CRQJPUNOWHTRMC-UHFFFAOYSA-N 431.474 4.010 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cccc(NC(=O)OC(C)(C)C)c1 18026200 DUJSGWSXLDKNJD-UHFFFAOYSA-N 429.429 4.046 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])s1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 21249178 IPHJRXHZIDPPRR-IBGZPJMESA-N 430.869 4.372 5 20 IIBD COc1cc(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)c([N+](=O)[O-])cc1OC 26495702 FJGXGDYQIUMIPE-UHFFFAOYSA-N 434.754 4.459 5 20 IIBD CCN(Cc1ccccc1)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 30011843 YQTDUJQOCZQIFC-UHFFFAOYSA-N 439.493 4.058 5 20 IIBD Cc1sc(-c2ccco2)nc1C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 32456121 FOJYTATYWGHNEW-OAHLLOKOSA-N 443.481 4.433 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(Cc1cccc(F)c1)C[C@H]1CCCO1 64962629 KRUJTLWWTSCTTF-KBXCAEBGSA-N 436.867 4.362 5 20 IIBD Cc1cc(NC(=O)Cc2csc(-c3cccs3)n2)n(-c2ccc([N+](=O)[O-])cc2)n1 105526479 UCPGSBSSAZMGAX-UHFFFAOYSA-N 425.495 4.455 5 20 IIBD O=C(CSc1nnc(-c2cccnc2)n1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 216807597 JHGXCYOJDJBWHE-UHFFFAOYSA-N 431.477 4.272 5 20 IIBD Cc1ccc(Sc2ccc(CNC[C@@H](C)CN3CCN(C)CC3)cc2[N+](=O)[O-])cc1 237578162 VUPVTKMFGRRTCG-LJQANCHMSA-N 428.602 4.028 5 20 IIBD Cc1ccc([N+](=O)[O-])c(Oc2nc(CN3CCOCC3)nc3sc4c(c23)CCCC4)c1 301062696 NISHGCJWRFENQT-UHFFFAOYSA-N 440.525 4.411 5 20 IIBD CC(C)(C)OC(=O)C1CCC(Nc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)CC1 301935775 PMVBUPXHOLFISM-UHFFFAOYSA-N 448.907 4.107 5 20 IIBD Cc1cc(C)c2nc(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)sc2c1 303427839 DYOFDTDVXRHPIS-GFCCVEGCSA-N 430.511 4.126 5 20 IIBD CCNC(=O)N1CCc2ccc(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)cc21 304087446 WRKIGQCBQJSANS-UHFFFAOYSA-N 437.481 4.063 5 20 IIBD COC(=O)C[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(OC(F)(F)F)cc1 409680227 VOKBOQMTZCDTES-MRXNPFEDSA-N 441.362 4.228 5 20 IIBD CCS[C@H](C)c1noc(CN(C)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 426283292 WOYZHTBEVBGSLF-SNVBAGLBSA-N 447.439 4.152 5 20 IIBD COc1cc(CN[C@@H](C(=O)O)c2cccs2)ccc1OCc1ccc([N+](=O)[O-])cc1 426789412 UMEMYUOGAXZVOH-HXUWFJFHSA-N 428.466 4.159 5 20 IIBD O=C(O)[C@H](Cc1ccc(OC(F)F)cc1)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 426821112 PXLNEZMBWBUNBP-SFHVURJKSA-N 432.379 4.242 5 20 IIBD CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl 427458541 NMUPGENYHSEOPD-UHFFFAOYSA-N 445.903 4.454 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H](c2cccc(C(F)(F)F)c2)O[C@H](C)C1 428931555 HZFDJVRHFPNUGL-RDTXWAMCSA-N 437.418 4.323 5 20 IIBD O=C(NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 429187506 ZPXVGMXZSQGYIK-VWNXMTODSA-N 441.503 4.182 5 20 IIBD Cc1cc(OCC(=O)N[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)ccc1[N+](=O)[O-] 430787053 SLTRCNNFFICBPB-MRXNPFEDSA-N 434.317 4.303 5 20 IIBD O=C(c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437125905 GWKFHBKSOCNTMZ-UHFFFAOYSA-N 438.434 4.352 5 20 IIBD Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 437918983 SUQYXPASDGWWMI-UHFFFAOYSA-N 439.516 4.485 5 20 IIBD Cc1c(CC(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)cccc1[N+](=O)[O-] 438986104 PIZWIEIVYXYBSC-GOSISDBHSA-N 427.259 4.492 5 20 IIBD CCN(CC)Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 444064771 LWAYXAXJIYEVQH-UHFFFAOYSA-N 431.436 4.256 5 20 IIBD COc1cc(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c2ccccc2n1 444104381 XWRHBGPERHJXCT-UHFFFAOYSA-N 445.425 4.446 5 20 IIBD CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2sc(Br)cc2[N+](=O)[O-])c1 444865717 QRLPMNQWNPYAFX-JTQLQIEISA-N 440.319 4.333 5 20 IIBD CCO[C@@H](c1ccccc1)c1noc(-c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)n1 445776859 NPXNKYHSUYGSPT-KRWDZBQOSA-N 438.469 4.050 5 20 IIBD COc1cccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)c1 445937996 NDRFTKYGRCWGDC-UHFFFAOYSA-N 429.479 4.393 5 20 IIBD O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2cn(-c3ccccc3)nc2-c2ccncc2)n1 447542761 QAVBTJDVVZBHRO-VXKWHMMOSA-N 443.511 4.313 5 20 IIBD CCn1nccc1C1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 447769132 VDRGTXLEJSKGNW-UHFFFAOYSA-N 433.512 4.443 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1(c2cccc(C(F)(F)F)c2)CCC1 462402272 NNIRQXZHAVVATE-UHFFFAOYSA-N 444.431 4.022 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O 462503291 RNBISAGMSPBIKD-OXJNMPFZSA-N 429.904 4.081 5 20 IIBD O=C(CCCNC(=O)[C@H]1CC=CCC1)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] 466340007 NMSGNLFIWQDTBT-IBGZPJMESA-N 437.496 4.365 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)NC1(c2c(Cl)cccc2Cl)CCC1 472730970 SOJCFJJVLIOBHM-UHFFFAOYSA-N 426.231 4.175 5 20 IIBD CCN1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@H]1c1ncc[nH]1 475346729 HRJOSQANDKCZCL-FQEVSTJZSA-N 425.464 4.128 5 20 IIBD COc1cc(CNC(=O)NCc2cccc([N+](=O)[O-])c2C)ccc1OCc1ccccc1 478443950 KUDQIZFPPXBPGW-UHFFFAOYSA-N 435.480 4.490 5 20 IIBD Cc1c(NC(=O)NC[C@H](CO)c2ccccc2Cl)cc(Br)cc1[N+](=O)[O-] 483360039 YJAAUUWLEVTZNI-LLVKDONJSA-N 442.697 4.217 5 20 IIBD CC[C@@H](NC(=O)c1cccc(SC)c1[N+](=O)[O-])[C@@H](c1ccc(C)cc1)n1cncn1 486409854 QFCKIUVTXVLJNR-IEBWSBKVSA-N 425.514 4.015 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1CN1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 486858527 UBSXLJACTOEJQE-IIBYNOLFSA-N 425.876 4.247 5 20 IIBD Cc1c(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)nnn1-c1cccc([N+](=O)[O-])c1 487279946 XADOONSRUIMCOA-YPAWHYETSA-N 431.496 4.282 5 20 IIBD O=C(NCc1ccc(OC2CCCCC2)cc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 494900120 HGNOAGGEKWIGOM-UHFFFAOYSA-N 427.505 4.050 5 20 IIBD CCOC(=O)CC1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 497891448 VGZUTHLFXZMFRQ-UHFFFAOYSA-N 425.485 4.012 5 20 IIBD O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccc([N+](=O)[O-])c2cccnc12 498144921 CLATZKZYKGHUGL-MRXNPFEDSA-N 444.413 4.166 5 20 IIBD Cc1nccn1CCNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 498182011 JLUCMNMNARPLQY-NBVRZTHBSA-N 447.520 4.457 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1c2ccccc2CC[C@H]1n1ccnc1 498470901 FXMKQZAFNRBUOC-CTNGQTDRSA-N 439.903 4.215 5 20 IIBD CNC(=O)CCCNC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 498754836 KMTJIDLMCZBLJS-UHFFFAOYSA-N 441.431 4.021 5 20 IIBD C[C@@H](NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H](C)c1ccccc1C(F)(F)F 499428942 ZKVPVHJTCKXSMR-QWHCGFSZSA-N 438.402 4.236 5 20 IIBD CCOc1ccc([C@@H](C)NCc2ccccc2S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] 504896644 YYRCDGVJXDRYDK-QGZVFWFLSA-N 447.557 4.019 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(C(=O)Nc2cccc(F)c2)CC1 507289629 BBIUOTICEAZKCD-AWEZNQCLSA-N 439.447 4.196 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@@H]3CCN([C@@H](C)c4ccccc4)C3)cc2)c(C)c1[N+](=O)[O-] 507615193 GOALMCJOEGNEBT-FDDCHVKYSA-N 447.539 4.022 5 20 IIBD COc1ccc([C@H](C)NC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])cc1 509930241 PGXBDRMJSFMOGD-ZDUSSCGKSA-N 443.481 4.139 5 20 IIBD COCc1cccc(NC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])c1 509972762 XLSVABRVWHYCJH-UHFFFAOYSA-N 429.454 4.038 5 20 IIBD COc1ccc(CN2CCC[C@H](N3CCCC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 510516334 CHXLEXZQSYJAFI-QFIPXVFZSA-N 425.529 4.243 5 20 IIBD CCOc1cc(NC(=O)NC[C@@H](c2ccco2)N2CCCCC2)c([N+](=O)[O-])cc1OCC 514504222 WAPMTWDRYKLDEX-SFHVURJKSA-N 446.504 4.334 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2COc3ccccc3C2)cc1[N+](=O)[O-] 517359289 MLRWCKCSKYSENZ-KRWDZBQOSA-N 448.500 4.281 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)N(CCCn1ccnc1)Cc1c(F)cccc1Cl 517685992 FMMYYTAGGUCBEQ-UHFFFAOYSA-N 446.866 4.082 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@]2(N(C)C)CCC[C@@H](C)C2)cc1[N+](=O)[O-])c1ccccn1 518807504 SUWOQEKJYXPSDO-YTZAWJCFSA-N 439.560 4.403 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC2(CCCCC2)C1 518953624 OWUHHWLTNMKNKV-IBGZPJMESA-N 433.574 4.019 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@H](C)OCCC(C)C)cc2)cc1[N+](=O)[O-] 519057163 GSSGFXSBVBOYOW-INIZCTEOSA-N 449.529 4.094 5 20 IIBD CC(=O)N(c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1)[C@@H]1C[C@@H]1C 519724364 JIHMZVNLAWNXIQ-BBATYDOGSA-N 432.274 4.371 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2nc3ccccc3s2)C1 520287292 PEEFVMNGQWHLRB-HNNXBMFYSA-N 426.498 4.173 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCC[C@H](N4[C@@H](C)CC[C@@H]4C)C3)cc2[N+](=O)[O-])CC1 521261660 XMJGDWZJWHBPSQ-ZJOUEHCJSA-N 428.577 4.309 5 20 IIBD O=C(Nc1ncc(Cc2ccc(F)c(F)c2)s1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 521389954 FPNDUBFWAUKTLC-UHFFFAOYSA-N 441.419 4.358 5 20 IIBD CN(C)S(=O)(=O)c1cccc(CNc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1 522692594 PQUXZJFHWKQHID-UHFFFAOYSA-N 427.482 4.250 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1ccc([N+](=O)[O-])cc1Br 523110831 HYHOQTQPLHCHGI-UHFFFAOYSA-N 445.273 4.177 5 20 IIBD COc1cc(CCNC(=O)c2ccc(-c3ccsc3)nc2C)c([N+](=O)[O-])cc1OC 523829433 ZUUFTXLTTUQXAW-UHFFFAOYSA-N 427.482 4.016 5 20 IIBD Cc1nn(CCC(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)c(C)c1[N+](=O)[O-] 523956146 AUBVDXJCRNQGHO-UHFFFAOYSA-N 427.442 4.413 5 20 IIBD C[C@@H](Oc1ccccc1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 524530286 CLJWQKBDKULPNK-QGZVFWFLSA-N 433.464 4.493 5 20 IIBD Cc1cccc(COc2ccc(NC(=O)C(=O)NCc3ccc([N+](=O)[O-])cc3)c(C)c2)c1 531083543 SJIRMDRDNNFFHI-UHFFFAOYSA-N 433.464 4.046 5 20 IIBD Cn1nc(-c2ccncc2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 531092968 DPRORUIYSKWZKM-UHFFFAOYSA-N 428.452 4.255 5 20 IIBD COc1ccc(CSCC(=O)N2CCC(CCc3ccc(O)cc3)CC2)cc1[N+](=O)[O-] 532862648 UGXKGIYCDRPIPD-UHFFFAOYSA-N 444.553 4.414 5 20 IIBD O=C(Nc1ccccc1N1CCC(CO)CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 536518195 KRFRPDJDWMSYOU-UHFFFAOYSA-N 438.509 4.179 5 20 IIBD C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC1(c2ccc(Cl)cc2)CCOCC1 536883589 XCCNCWDIUFUWFN-INIZCTEOSA-N 431.920 4.303 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCC1CCN(c2ccncc2)CC1 537786555 GTJDFFAGLXGSFN-QGZVFWFLSA-N 428.558 4.236 5 20 IIBD CCN1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 538791068 FWJWGBJWCKEWKQ-IRLDBZIGSA-N 425.529 4.241 5 20 IIBD Cc1ccc([C@@H](C)NCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] 540477896 YHZZEYKLMABASB-XLIONFOSSA-N 439.512 4.079 5 20 IIBD COc1cc(CNc2nnc(C(F)(F)F)s2)c([N+](=O)[O-])cc1OCC(F)(F)F 542754321 STRFFUXQJYXHRR-UHFFFAOYSA-N 432.302 4.027 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN[C@H](CCO)c3ccccc3Br)o2)c1 542884177 UNOAJSOIVXPMJR-GOSISDBHSA-N 446.301 4.268 5 20 IIBD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)ccc21 543464595 ORUFRBIYNHPJSB-OAHLLOKOSA-N 440.475 4.299 5 20 IIBD COc1ccc(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)cc1[N+](=O)[O-] 543887898 MSGGDLFFSOOKQO-OAHLLOKOSA-N 428.493 4.181 5 20 IIBD COc1cc(Cc2noc(Cc3c(C)nn(-c4ccc(F)cc4)c3C)n2)ccc1[N+](=O)[O-] 545077223 XLBXLYXRYFAFAC-UHFFFAOYSA-N 437.431 4.110 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1 546956980 XFTNJEWZYCGPCB-NSHDSACASA-N 439.902 4.458 5 20 IIBD CCOc1cc(C(=O)N(Cc2cc(OC)ccc2OC)C(C)(C)C)c([N+](=O)[O-])cc1OC 549275412 PUFCYUNNAHJIPB-UHFFFAOYSA-N 446.500 4.460 5 20 IIBD COCCNC(=O)c1ccc(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1Cl 559995852 BZKNLHLLRRRDKZ-UHFFFAOYSA-N 429.860 4.497 5 20 IIBD COc1cc(OC)c2cc(CCCN[C@H](c3cccc([N+](=O)[O-])c3)c3nccn3C)[nH]c2c1 560524935 RQZNDMGHLMRVKD-HSZRJFAPSA-N 449.511 4.139 5 20 IIBD CCc1c(NCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cnn1-c1ccccc1Cl 562942902 QYICHFIDSWMDGD-UHFFFAOYSA-N 429.864 4.056 5 20 IIBD CCCOc1cc(NC(=O)N2CCC[C@@H]2c2nc(C)no2)c([N+](=O)[O-])cc1OCCC 577903996 ZCWZYUUGSNWPRZ-OAHLLOKOSA-N 433.465 4.233 5 20 IIBD Cc1ccc(C)c(OCc2nnc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)o2)c1 594640159 CQHWEEGKMKNCBR-AWEZNQCLSA-N 428.470 4.293 5 20 IIBD O=C(c1cc(F)ccc1F)C1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 603682447 ZVCAIHXTKDSVNH-UHFFFAOYSA-N 428.395 4.018 5 20 IIBD CCc1ccc([C@H](NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C(C)C)cc1 603749418 FIRHCLMLSNOTEC-HXUWFJFHSA-N 444.557 4.083 5 20 IIBD Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)C2)c1 603785061 TWYKVMBTLZZNJJ-OAHLLOKOSA-N 447.438 4.304 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ncc(Cc2cc(F)cc(F)c2)s1 604024170 NLLHRLZNCQSYIL-UHFFFAOYSA-N 425.438 4.030 5 20 IIBD O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 604108087 NVGNRTXZLOHYPS-UHFFFAOYSA-N 444.900 4.349 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCC[C@H]1c1nc2ccccc2s1 604156702 MSOUROUEJJOGDF-HNNXBMFYSA-N 430.873 4.160 5 20 IIBD Cc1sc2nc(SC[C@@H](O)COc3cccc([N+](=O)[O-])c3)n(C(C)C)c(=O)c2c1C 608856432 HQIDVBHLSZTCIA-HNNXBMFYSA-N 449.554 4.096 5 20 IIBD COc1ccc(NC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])c(C)c1 608898662 WPLIJUDVFGDREZ-UHFFFAOYSA-N 429.454 4.208 5 20 IIBD COc1ccc(CC(=O)N[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1[N+](=O)[O-] 609011350 RCXQTTOHQPLIIF-HXUWFJFHSA-N 448.454 4.192 5 20 IIBD CCOc1cc(NC(=O)C(=O)N2CCCCC[C@@H]2c2ccco2)c([N+](=O)[O-])cc1OCC 609958911 PUQTZBUQYMDLHT-MRXNPFEDSA-N 445.472 4.068 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC(C)(C)CC3)cc2)cc1[N+](=O)[O-] 610205904 WAZSXPZUJQDBCM-UHFFFAOYSA-N 445.541 4.356 5 20 IIBD COc1cc(CCNC(=O)[C@@H](C)c2ccccc2C(F)(F)F)c([N+](=O)[O-])cc1OC 610238204 PDJZSVAASZFEAG-LBPRGKRZSA-N 426.391 4.093 5 20 IIBD COc1cc(CNCC2(SC)CCOCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 610271270 FHUJIXKUUTVOTC-UHFFFAOYSA-N 432.542 4.184 5 20 IIBD Cn1ccnc1[C@H](NCc1cccc(OCc2ccccn2)c1)c1cccc([N+](=O)[O-])c1 611560356 XIEXTQUYOWBYKS-HSZRJFAPSA-N 429.480 4.182 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1F)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 613526098 BXFGTRDTYIZQCV-KRWDZBQOSA-N 432.473 4.351 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2ccc(N3CCc4sccc4C3)nc2)c1[N+](=O)[O-] 616337597 DDMBQAFVMQQTLN-UHFFFAOYSA-N 444.538 4.032 5 20 IIBD COc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 725793489 DMAABXDBJPHDRW-MRXNPFEDSA-N 449.463 4.112 5 20 IIBD O=[N+]([O-])c1ccc2nc(Sc3ccc(CNC[C@@H]4CCOC4)cc3[N+](=O)[O-])sc2c1 725847784 DLAZQSQMNZRIGY-ZDUSSCGKSA-N 446.510 4.390 5 20 IIBD C[C@H](NC(=S)/C(=C(/O)c1ccc([N+](=O)[O-])cc1)[n+]1cccc(O)c1)c1cccs1 726579428 KCYKLHFJIOJKDL-ZDUSSCGKSA-O 428.515 4.211 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N(CC[C@H]1C[C@H]2CC[C@H]1C2)C1CC1 726781904 ZHCNIXIKVLMUDQ-ULQDDVLXSA-N 427.501 4.100 5 20 IIBD CC1CCN(c2ccc(C(=O)O[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cn2)CC1 727202917 HOFJWZLIGVESMF-AWEZNQCLSA-N 446.891 4.064 5 20 IIBD O=C(CN1CCO[C@@H](c2ccc(F)c(Cl)c2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] 727435796 TYOBLMCXHAXKSW-QGZVFWFLSA-N 428.247 4.053 5 20 IIBD CC(C)Sc1ccc([C@@H](C)NC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cc1 728832387 MFLFEXHWZJIRJN-ZBFHGGJFSA-N 445.516 4.465 5 20 IIBD CN(C)S(=O)(=O)c1ccsc1C(=O)OCc1nc2ccccc2c2ccccc12 732367081 OINHBXGVJOAACN-UHFFFAOYSA-N 426.519 4.057 5 20 IIBD CCN(C)C(=O)c1cccc(OC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 733765313 FGNBNPWQYNQZKZ-UHFFFAOYSA-N 425.485 4.142 5 20 IIBD O=C(Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1)[C@@H]1CC(c2ccccc2)=NO1 735638681 YBGXNHUJEOPJEU-NRFANRHFSA-N 443.419 4.172 5 20 IIBD CCc1ccc([C@H](C)NC(=O)[C@@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 740411122 XCMZLSGMEVKGBU-QWHCGFSZSA-N 449.301 4.342 5 20 IIBD C[C@H](OC(=O)[C@H](C)Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 744741963 VQAIXNUAXBJXPY-UWVGGRQHSA-N 445.230 4.378 5 20 IIBD COc1c(Cl)cc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cc1Cl 751189466 FNJHBFOEQGYVNA-VIFPVBQESA-N 442.230 4.041 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN(Cc3ccccc3)C[C@H](O)c3ccsc3)o2)cc1 756904503 FTKHOARLEQYYFI-FQEVSTJZSA-N 436.493 4.442 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 758845447 ISRODEUCWZRANK-UONOGXRCSA-N 440.928 4.083 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[C@@H](Oc2ccccc2Cl)C1 758852196 GXQUNMHLQFDFGW-LLVKDONJSA-N 425.666 4.304 5 20 IIBD O=C(COc1c([N+](=O)[O-])cnc2ccc(Br)cc12)c1ccc([N+](=O)[O-])cc1 758869605 DEQBWFRAEUXJOR-UHFFFAOYSA-N 432.186 4.075 5 20 IIBD COC(=O)[C@@H](Cc1ccc(Cl)cc1)OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 759508754 COTDCQBGBBSLBR-QGZVFWFLSA-N 446.868 4.313 5 20 IIBD COc1ccccc1OCc1ccc(C(=O)O[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)o1 759928028 FOGIGDWFZMXJPM-IAGOWNOFSA-N 441.440 4.313 5 20 IIBD Cc1cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])cc2Br)c(Cl)cc1F 761165176 GFFXYWNGDCYFPH-UHFFFAOYSA-N 430.613 4.498 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@@H](c2nc(-c3ccnc(OCc4ccccc4)c3)no2)C1 761681942 ODTNXWMGXTYPSJ-HXUWFJFHSA-N 443.419 4.485 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 761906625 DMYCNRZTTDFGNU-UHFFFAOYSA-N 434.861 4.285 5 20 IIBD O=C(Nc1ccccc1C(=O)NC[C@@H](O)C1CCCCC1)c1ccc([N+](=O)[O-])cc1Cl 762341583 CTIDBCTWNCTZGD-HXUWFJFHSA-N 445.903 4.172 5 20 IIBD COC(=O)c1ccc(OC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)cc1[N+](=O)[O-] 763704342 GWLZBFLWTKSYPE-UHFFFAOYSA-N 434.404 4.161 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccc(F)cc2)ns1 764235876 KDPLLWLUHUVFCW-UHFFFAOYSA-N 434.474 4.243 5 20 IIBD CC(=O)OC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CC1 765166971 FGFUVMQFZNHXGZ-UHFFFAOYSA-N 431.876 4.028 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(OCC(F)F)c(C(F)(F)F)c2)cs1 766578159 RTPXCRLPYPICJE-UHFFFAOYSA-N 432.348 4.120 5 20 IIBD O=C(COC(=O)CSc1nccc2ccccc12)Nc1cc(Cl)ccc1[N+](=O)[O-] 767412454 CIOFIUGBPCMWSE-UHFFFAOYSA-N 431.857 4.070 5 20 IIBD C[C@H](OC(=O)C[C@@H](C)c1ccncc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 769066008 KZDLFNJMMBGBRS-NEPJUHHUSA-N 425.363 4.073 5 20 IIBD CCc1c(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cnn1-c1ccccc1OC 769473640 HZCXOSQQLIAPCF-UHFFFAOYSA-N 445.273 4.366 5 20 IIBD COc1cc(C)nc(CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 769555095 DJDGWOBVRAHCNE-UHFFFAOYSA-N 447.900 4.356 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2O)cc1[N+](=O)[O-] 769954705 SSRCNUNODJGFDS-LLVKDONJSA-N 441.362 4.211 5 20 IIBD COCCc1ccc(OCCCC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1 770327782 UCBYKENWOCLWAG-UHFFFAOYSA-N 437.290 4.344 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(NCCOc3ncc(C(F)(F)F)cc3Cl)CC2)cc1 773018573 WZJCKNJAOKUUQH-UHFFFAOYSA-N 444.841 4.299 5 20 IIBD Cc1csc(Sc2ccc(C(=O)O[C@@H](C(F)F)[C@H]3CCCO3)cc2[N+](=O)[O-])n1 774454294 WDNSTIHXCHUJGQ-TZMCWYRMSA-N 430.454 4.480 5 20 IIBD C[C@@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 779072689 LCACMEHHDHOOFZ-GDBMZVCRSA-N 447.333 4.389 5 20 IIBD CC[C@@H]1C[C@@H](OC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 779289388 DUFMYJDOBGCJND-YADHBBJMSA-N 435.480 4.491 5 20 IIBD CCc1ccccc1N(C(C)=O)c1nc(COC(=O)c2cc(O)cc([N+](=O)[O-])c2)cs1 780075009 IKFZGKMPUFGNEW-UHFFFAOYSA-N 441.465 4.361 5 20 IIBD CC(C)n1c(CCNC(=O)c2cccc([N+](=O)[O-])c2Br)nc2ccccc21 782171941 DOULPENIJJWWPC-UHFFFAOYSA-N 431.290 4.260 5 20 IIBD O=Cc1ccc(OCC(=O)Nc2ccc(N3CCCCCCC3)c(F)c2)c([N+](=O)[O-])c1 782832921 RFYSUMFXYZVMIK-UHFFFAOYSA-N 429.448 4.334 5 20 IIBD Cc1nc(COC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)no1 784703869 YHXMWHOBHLADDQ-UHFFFAOYSA-N 428.451 4.404 5 20 IIBD O=C(OCc1ccc(-n2ccnc2)nc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 786441624 SQPQXROKAPSIGW-UHFFFAOYSA-N 430.420 4.112 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)[C@H]1CC12CCOCC2 786451111 ANSRPZAUPKRAMY-VQIMIIECSA-N 444.871 4.288 5 20 IIBD O=[N+]([O-])c1ccc(CSc2nnc(CN3CCCC3)n2Cc2ccccc2)cc1F 787488057 FWPNEHFYWLCKFJ-UHFFFAOYSA-N 427.505 4.262 5 20 IIBD O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 787666892 YYAIKJZLOAVLPF-UHFFFAOYSA-N 446.459 4.114 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2CCC(F)(F)F)c(C)c1[N+](=O)[O-] 790399565 REMIGBARPQUJFB-UHFFFAOYSA-N 447.391 4.416 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccc(OCC(F)(F)C(F)F)nc1 790554895 PAAJZZGIPFAFKV-UHFFFAOYSA-N 439.724 4.243 5 20 IIBD Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790664622 RUCZPTLVOSUCCS-UHFFFAOYSA-N 438.793 4.400 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791166108 DMRMOGITISKJDN-UHFFFAOYSA-N 440.637 4.117 5 20 IIBD C[C@H](Cn1ccc2ccccc21)C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 797002833 YLBYIDAFUPMDSW-IEBWSBKVSA-N 435.480 4.034 5 20 IIBD CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](COC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 797277545 BQVMHAXAICFQIS-CQSZACIVSA-N 442.459 4.308 5 20 IIBD COc1cc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])c(Br)cc2C)c(C)c1C 808116259 MVNAUKXCRGSFNT-UHFFFAOYSA-N 443.319 4.400 5 20 IIBD O=C1N[C@]2(CCCc3sccc32)C(=O)N1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 809946038 LQNPKOPDAXAKRI-KRWDZBQOSA-N 426.281 4.247 5 20 IIBD COCCn1c(-c2ccc3ccccc3n2)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 812146947 JUBKVEFGPHUYDP-UHFFFAOYSA-N 444.495 4.217 5 20 IIBD CC(C)(CCc1noc(CCc2nc3cc(Br)ccc3s2)n1)[N+](=O)[O-] 812814541 JMXCCNWDVZJJCG-UHFFFAOYSA-N 425.308 4.215 5 20 IIBD Cc1noc2nc(C3CC3)cc(C(=O)O[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c12 812875390 QYCDIZFMIAOMEW-SNVBAGLBSA-N 444.831 4.154 5 20 IIBD O=C(N[C@H](Cn1ccccc1=O)c1ccccc1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813243774 XSPWXLBTADWIEP-QGZVFWFLSA-N 432.263 4.235 5 20 IIBD C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F 815173612 SFTYRJLQMPEGJT-JTQLQIEISA-N 430.766 4.129 5 20 IIBD COC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)sc2c1CCCCC2 819056676 CUXUWKWMCACKES-UHFFFAOYSA-N 433.442 4.181 5 20 IIBD O=C(Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1)[C@H]1CSCCS1 890280088 ANYOLQSJKHJVDV-GOSISDBHSA-N 429.475 4.122 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(-c3cccc(Cn4cnc5ccccc54)c3)no2)cc2c1OCO2 904493998 VXUVQVQFPFXNLO-UHFFFAOYSA-N 441.403 4.439 5 20 IIBD Cc1cc(C)c(N2C[C@@H](C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)CC2=O)c(C)c1 914753246 PRJFMWGAYVNIRU-KRWDZBQOSA-N 429.904 4.185 5 20 IIBD COc1ccc(CSCC(=O)OCC(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] 914915482 ALSKJTVBYUXODY-UHFFFAOYSA-N 425.462 4.416 5 20 IIBD CCCC(=O)Nc1ccc(CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])cc1 917074087 AQHSRRSVGFAGMD-UHFFFAOYSA-N 445.419 4.239 5 20 IIBD O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)N1CCO[C@H](c2ccc(F)cc2)C1 917170722 ARPCBXGCPMPOFS-INIZCTEOSA-N 433.486 4.036 5 20 IIBD O=[N+]([O-])c1cccc(N2CCN(Cn3nc(-c4cccs4)n(C4CC4)c3=S)CC2)c1 917457832 VYQDCQZMQXVIEM-UHFFFAOYSA-N 442.570 4.165 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)c1nnnn1-c1ccccc1 918872428 NBYKAEIEIWLNFL-MRXNPFEDSA-N 444.451 4.101 5 20 IIBD C[C@@H](Cc1cccc(F)c1)C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 921112550 LFJIOFUMFSLEBV-NSHDSACASA-N 428.338 4.113 5 20 IIBD CC(C)(C)c1cc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)n(Cc2ccccc2)n1 1318050675 QFHZTVAHSNUPCK-UHFFFAOYSA-N 426.448 4.294 5 20 IIBD CCOC(=O)/C(=C\c1cccc(OCc2cccc(C(=O)O)c2)c1)c1ccc([N+](=O)[O-])cn1 1321106858 PYTJGQOEAALXHX-BKUYFWCQSA-N 448.431 4.371 5 20 IIBD CCCN(Cc1nc(O)c2sccc2n1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 1324220582 SQEPGTILJDRRGW-UHFFFAOYSA-N 440.403 4.376 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(C)CCCCC1)C2 1800698864 IDWZQLGPWWRUIQ-BJWYYQGGSA-N 431.508 4.265 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)[nH]n1)c1cccs1 1816346183 XBHRXYHRNZRQFK-MRXNPFEDSA-N 443.460 4.138 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/C(C)C)[nH]n1 1821286253 ROSXYWCMUXKZGM-RUJXFNLJSA-N 443.479 4.284 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CCCC2)CC1 1830788297 JGOCOGSZZVEHTA-HXUWFJFHSA-N 443.544 4.032 5 20 IIBD Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 10862799 JUPPDYGBULSZHT-UHFFFAOYSA-N 432.432 4.238 5 20 IIBD COc1ccc(CNc2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccccc2OC)cc1 15208021 ZZJKBLINSBMLLD-UHFFFAOYSA-N 443.481 4.025 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)CSc2ccc3ccccc3c2)c([N+](=O)[O-])c1 15799628 FHVMULXEWBYQQU-AWEZNQCLSA-N 440.477 4.419 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2ccccc2OC(F)(F)F)cc1[N+](=O)[O-] 16724508 XWIJGZAUDICOCO-UHFFFAOYSA-N 439.375 4.025 5 20 IIBD COc1ccc(-c2nc(C(=O)OCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cs2)cc1 19176259 YSSVGPVOKOMXHV-UHFFFAOYSA-N 438.421 4.134 5 20 IIBD CCn1c(SCC(=O)Nc2cc(OC)cc(OC)c2)nc2cc3ccccc3cc2c1=O 22177954 SCJXKCQZAPCEPE-UHFFFAOYSA-N 449.532 4.318 5 20 IIBD C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 23919619 IWUDAISVHSIZRY-HNNXBMFYSA-N 442.566 4.202 5 20 IIBD CCn1c(SCC(=O)c2ccc(NC(N)=O)cc2)nc2cc3ccccc3cc2c1=O 26561502 XPWNBTNYZIYRIG-UHFFFAOYSA-N 432.505 4.035 5 20 IIBD COc1ccc([C@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Br 30510746 CHRUFRLVQNYISN-QWHCGFSZSA-N 436.306 4.352 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCN(c2ccccc2Cl)CC1 65081201 YMTSBWPAJCPWIQ-UHFFFAOYSA-N 428.901 4.334 5 20 IIBD C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 65104898 MZABKSQDGKZMTM-MRXNPFEDSA-N 436.512 4.490 5 20 IIBD O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 78505914 GJOSAZNGMCPISR-UHFFFAOYSA-N 442.369 4.122 5 20 IIBD CC(NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)(c1ccccc1)c1ccccc1 110974521 GGMBTZRIGQZTCH-UHFFFAOYSA-N 445.475 4.363 5 20 IIBD O=[N+]([O-])c1cncc(Br)c1N1CCO[C@@H](c2ccc(Br)cc2)C1 301843305 RGYOZDGAZGLJTD-CQSZACIVSA-N 443.095 4.093 5 20 IIBD CC(C)c1sc(NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)nc1-c1ccccc1 303043100 TZTUJJHXSHRNNE-UHFFFAOYSA-N 445.522 4.498 5 20 IIBD COc1cc(Cc2noc([C@H](C)[C@@H]3OCCc4sccc43)n2)c([N+](=O)[O-])c(OC)c1 426606076 SXVBVTHEOYESPJ-WYRIXSBYSA-N 431.470 4.065 5 20 IIBD COc1cc(C(=O)N[C@H]2CCC[C@@H]2OCc2ccccc2)c([N+](=O)[O-])cc1OC(F)F 430864412 SXUANZYSRRLOOU-RDJZCZTQSA-N 436.411 4.073 5 20 IIBD CN([C@H](c1ccccc1)c1ncc[nH]1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 432262502 BLNOSRQUOFRMBO-OAHLLOKOSA-N 441.296 4.035 5 20 IIBD CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 433870153 VQWNIRKRXPPCOR-UHFFFAOYSA-N 430.404 4.440 5 20 IIBD CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 437002918 APCCYGIQXXTSPR-NSHDSACASA-N 430.383 4.002 5 20 IIBD CCN(c1cccc(C)c1C)S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 438808857 VANDVQDMSIVUHM-UHFFFAOYSA-N 427.320 4.498 5 20 IIBD O=C1[C@H](N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)CCN1c1cccc([N+](=O)[O-])c1 441074470 MUDBBHAFFKRDFS-IUODEOHRSA-N 440.447 4.055 5 20 IIBD COc1cc(CNCc2cccc(N3CCC3=O)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 441206706 MACYOHVJYYGCGK-UHFFFAOYSA-N 447.491 4.209 5 20 IIBD COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 442549524 YULBGEHKSMFFPT-MRXNPFEDSA-N 433.464 4.429 5 20 IIBD C[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C[C@]2(CCO[C@@H]2C)O1 442807243 DSCSOUZXIVZOIF-MCFFVMPBSA-N 428.510 4.155 5 20 IIBD O=[N+]([O-])c1ccc(N[C@H]2CCN(c3ncnc4scc(-c5ccc(F)cc5)c34)C2)nc1 443881057 GGASYVCCZIPADR-HNNXBMFYSA-N 436.472 4.491 5 20 IIBD CC(=O)N1CC[C@H](NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c2ccccc21 444255497 AXDYGVUAVGLRHP-FQEVSTJZSA-N 429.451 4.048 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2[nH]c3ccc(C(=O)OC)cc3c2C1 462913466 ZXBDLJFYAVTAPI-MRXNPFEDSA-N 435.480 4.016 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1c(C(=O)c2ccco2)oc2ccccc12 467107034 XSRGYIIHEBDLJN-UHFFFAOYSA-N 448.387 4.117 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCc2nnc(C(C)C)s2)c([N+](=O)[O-])c1 467781260 CPOJDNFHCJXCRK-UHFFFAOYSA-N 440.481 4.199 5 20 IIBD COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 470371437 GCHDVHQWCKMYJR-CYBMUJFWSA-N 430.848 4.100 5 20 IIBD COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 470586058 ZIKXHFCJPXRJCY-MRXNPFEDSA-N 427.682 4.470 5 20 IIBD C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1 470706139 DDETZDPUOXMZTD-HUUCEWRRSA-N 429.448 4.155 5 20 IIBD CC(=O)Nc1cccc(-n2c(SCc3nc4ccc([N+](=O)[O-])cc4[nH]3)nnc2C2CC2)c1 473788263 JUEQTFBETJVFTR-UHFFFAOYSA-N 449.496 4.180 5 20 IIBD O=C(CCc1ccc2ccccc2c1)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 478104049 VFJJGPJPHJQFIF-UHFFFAOYSA-N 443.507 4.296 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3c(Cl)cccc3s2)c(Br)c1 479110621 SPGJQXOHFQPPMO-UHFFFAOYSA-N 448.707 4.421 5 20 IIBD CN1C(=O)C[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)[C@H]1c1ccc(Cl)c(Cl)c1 479153494 BYINLEGPZMKHRR-OXJNMPFZSA-N 448.306 4.006 5 20 IIBD COc1cc(C(=O)N2CC(OCC(F)F)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 479388306 BLNPDHOELNJNEP-UHFFFAOYSA-N 442.802 4.155 5 20 IIBD Cc1c(CNC(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cccc1[N+](=O)[O-] 479562639 ZFTBOWMJOOGUSX-UHFFFAOYSA-N 437.481 4.233 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CNCCc3ccc(OCC(F)(F)F)nc3)cs2)c1 479585052 JANUAVPOBWNZNB-UHFFFAOYSA-N 438.431 4.387 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cccc(C(C)(C)C)c2O)ccc1[N+](=O)[O-] 480064089 UNSXNBFNMAIWMI-LJQANCHMSA-N 425.485 4.150 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)Cc1ccc(Br)cc1 480951298 KSDZQSNUQSMCNW-UHFFFAOYSA-N 427.320 4.098 5 20 IIBD COC(=O)c1cc(OCC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)ccc1[N+](=O)[O-] 481964708 VETUKDYIGBXKQX-SFHVURJKSA-N 432.448 4.193 5 20 IIBD COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)cc1NC(C)=O 486259031 DGFVKNWJCBZUOY-UHFFFAOYSA-N 431.514 4.240 5 20 IIBD COC(=O)c1cc(NC(=O)N(C)C[C@@H](C)Cc2ccc(OC)cc2)c(C)c([N+](=O)[O-])c1 486874963 RPBKTORPQPQQAH-AWEZNQCLSA-N 429.473 4.041 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@@H](C)Cc2ccncc2)c([N+](=O)[O-])c1 487636436 RCUODTASRZYTPV-KRWDZBQOSA-N 440.525 4.248 5 20 IIBD O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)c1cc([N+](=O)[O-])ccc1OC(F)F 487778802 CYRMPIQXJSXSLA-UHFFFAOYSA-N 449.797 4.312 5 20 IIBD CCOC1(C)CCN(c2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2[N+](=O)[O-])CC1 488482105 QYKATJBARYGTTO-UHFFFAOYSA-N 447.557 4.205 5 20 IIBD Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 488733273 OPNGIBXNDBFHSK-UHFFFAOYSA-N 428.924 4.143 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(F)ccc1N1CCOCC1 489547222 IJMBYJMJCXIJDD-UHFFFAOYSA-N 447.532 4.249 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 490967565 QHZIZSPJCAXNAM-UHFFFAOYSA-N 443.481 4.076 5 20 IIBD COc1ccccc1-c1noc([C@H](C)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 491376632 VXKMNXOJYWBEFU-AWEZNQCLSA-N 437.456 4.089 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cc(Cl)ccc2N2CCCCC2)cc1[N+](=O)[O-] 493932456 BRCHADNJPSASEE-HNNXBMFYSA-N 444.919 4.363 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CCCN2CCCC2)CC1 495422458 CEWFPINRSGWXBQ-UHFFFAOYSA-N 435.590 4.062 5 20 IIBD COc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1Oc1ccc(C)nn1 498327704 CRDMNLXYRXCBKY-UHFFFAOYSA-N 426.454 4.225 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)cc1[N+](=O)[O-] 498413537 DYHVHEOBORHUPI-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc(Cl)c2OCC(F)F)cc1[N+](=O)[O-] 498975963 FRUCBURNJCJUAH-LLVKDONJSA-N 441.818 4.016 5 20 IIBD CC[C@@H](C)Sc1ccc(NC(=O)C(=O)NCc2cc([N+](=O)[O-])ccc2OC)c(C)c1 498995155 LJQPJWJYYVAYGM-CQSZACIVSA-N 431.514 4.057 5 20 IIBD COc1ccc(CCNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(Cl)c1OC 500495243 BFHHGVAJCGNVNW-UHFFFAOYSA-N 432.782 4.257 5 20 IIBD C[C@@H](NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1cccc(Cl)c1Cl 502256295 MCXOAICLJZAFOI-GFCCVEGCSA-N 436.295 4.270 5 20 IIBD COc1cc(CN2CCC[C@@H](CN3CCCC[C@@H]3C)C2)c([N+](=O)[O-])cc1OC(F)F 506475451 WZNZYWXHMNGELV-JKSUJKDBSA-N 427.492 4.291 5 20 IIBD Cc1sc(NC(=O)c2cccc(CN3CCCC3=O)c2)nc1-c1cccc([N+](=O)[O-])c1 511079744 ZQXSXGLBMOTUJB-UHFFFAOYSA-N 436.493 4.401 5 20 IIBD CN(C(=O)CCn1cc([N+](=O)[O-])cn1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 513409225 TVMKKIQKRSTXNH-UHFFFAOYSA-N 435.362 4.051 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)N[C@@H](c2cccc(Cl)c2)C2CCCC2)cc1[N+](=O)[O-] 513807144 WEOBPBPSKFQGQU-LJQANCHMSA-N 436.917 4.313 5 20 IIBD C[C@@H]1CN(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C[C@@H](C)O1 514343860 LIFSLUGGKAUAMK-IAGOWNOFSA-N 443.569 4.364 5 20 IIBD O=C(c1ccccc1)c1ccc(Sc2nnc([C@H]3CCCNC3)n2C2CC2)c([N+](=O)[O-])c1 516680323 JIBFZMQUOSXXDA-KRWDZBQOSA-N 449.536 4.370 5 20 IIBD CS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])c1 516804506 DFDGIESGPGVOOO-QGZVFWFLSA-N 443.308 4.282 5 20 IIBD COc1cc(OC)cc([C@@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c2nccn2C)c1 518771243 NYNUYAXBQBUJLO-HSZRJFAPSA-N 448.479 4.485 5 20 IIBD COc1ccc(S(=O)(=O)[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)cc1 519530389 BGCSTEIWJRPVFW-OAQYLSRUSA-N 440.477 4.066 5 20 IIBD Cc1csc(Sc2ccc(NS(=O)(=O)c3c(F)cccc3[N+](=O)[O-])cc2)n1 521008854 LHAZNHASYDYKNO-UHFFFAOYSA-N 425.488 4.451 5 20 IIBD O=C(Nc1cccc(C[S@@](=O)C2CCCCC2)c1)c1cc([N+](=O)[O-])cc2c1OCCO2 522643529 CVXRJDJLXCLKHV-WJOKGBTCSA-N 444.509 4.200 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N[C@H](c1ccccc1)[C@@H]1CCCO1 523242944 FHKFHQPTXLQRGL-FCHUYYIVSA-N 445.541 4.102 5 20 IIBD Cc1ccc(NCCCNC(=O)CSc2ccc(C(F)(F)F)cn2)c([N+](=O)[O-])c1 523510900 IPKNNTBNURLTAB-UHFFFAOYSA-N 428.436 4.028 5 20 IIBD COC(=O)c1ccc(Br)c(C)c1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 524769546 JXRRKAVMEBSFRY-UHFFFAOYSA-N 433.214 4.451 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1C[C@@H]2CCCN2c2ccccc21 525186034 XZEPYBKCCUXPBO-LBPRGKRZSA-N 428.297 4.079 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCc1nc(-c2cccc(Cl)c2)no1 525323272 DLHPMUCTWYHFHO-UHFFFAOYSA-N 429.864 4.120 5 20 IIBD COc1cc(C(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cc2)cc([N+](=O)[O-])c1OC 525536016 CYFZMAZLVGMKHT-LLVKDONJSA-N 428.363 4.044 5 20 IIBD COc1cccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 532890004 OUXRQAHPGPRGSI-IBGZPJMESA-N 449.301 4.187 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(O)c(Br)c1 538270828 FBNZETVASOPHEL-UHFFFAOYSA-N 425.304 4.493 5 20 IIBD Cc1cc(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccco2)ccc1[N+](=O)[O-] 538552532 SXHHMNMMBHJQKP-UHFFFAOYSA-N 439.453 4.127 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CCS[C@@H]3COCC[C@@H]32)cc1 538809797 IAFLIIDPBSEOFD-FCHUYYIVSA-N 436.537 4.154 5 20 IIBD CCc1nc2ccccc2n1C1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 539020546 SQDGNPNQLBDYCJ-UHFFFAOYSA-N 444.495 4.170 5 20 IIBD CC(C)N1C(=O)C[C@H](C(=O)NCc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 540644524 MDCCMKMGQCCVGA-MGPUTAFESA-N 433.867 4.002 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCc2c(Br)ccc(F)c2C1 541638997 FHFDEWVTIKZBNJ-UHFFFAOYSA-N 427.657 4.277 5 20 IIBD COc1ccc(CC(=O)N[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)cc1[N+](=O)[O-] 541897974 MHEMFEZUTFHKRI-INIZCTEOSA-N 434.317 4.167 5 20 IIBD Cc1c(Br)cc(C(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] 542559595 DXGLBCXZIODRCW-QAPCUYQASA-N 437.265 4.455 5 20 IIBD Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)C2)cc1 542603665 LIMRPLAWPSGCRN-IAGOWNOFSA-N 442.491 4.206 5 20 IIBD COc1cccc([C@H]2C[C@H](C)CN2CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1 544118607 YWYAIJYSBAZNKJ-ORAYPTAESA-N 448.317 4.388 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 544625840 KBACXCYDIMNBDB-FQEVSTJZSA-N 435.415 4.421 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3ccc(C(F)(F)F)nc3)n2)c(Br)c1 545005099 YMNBXGYNDMEKMB-UHFFFAOYSA-N 429.152 4.412 5 20 IIBD COc1cc(Cc2noc(COc3ccccc3OCC(F)(F)F)n2)ccc1[N+](=O)[O-] 545057816 SPIKCCUCIRETJP-UHFFFAOYSA-N 439.346 4.097 5 20 IIBD O=C(Nc1ccnc(N2CCc3ccccc3C2)c1)c1ccc([N+](=O)[O-])c2cccnc12 553259581 VNKGKUCCGZBTQF-UHFFFAOYSA-N 425.448 4.353 5 20 IIBD CC1CCN(C[C@@H](O)CNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 553778783 NDMZAEFMJLWFNB-SFHVURJKSA-N 433.936 4.223 5 20 IIBD COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cc(S(C)(=O)=O)c1 557692138 JXWMIBBBGUANOJ-UHFFFAOYSA-N 442.449 4.052 5 20 IIBD CC[C@H]1CN(C)CCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 557914592 BVPKAZXDJVABEB-INIZCTEOSA-N 433.892 4.215 5 20 IIBD Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 560150587 NXEXBCXQBDBOKI-UHFFFAOYSA-N 449.692 5.066 5 20 IIBD Cn1ccnc1[C@@H](N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 560547907 HXNKSNNHIUHNAO-UZLBHIALSA-N 445.445 4.305 5 20 IIBD O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 561181473 CEEWTHOFPWFJMZ-YPAWHYETSA-N 429.476 4.302 5 20 IIBD C[C@@]1(C2CC2)NC(=O)N(Cc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)C1=O 562095309 SRODZBXLOIXQOT-FQEVSTJZSA-N 433.823 4.400 5 20 IIBD COc1cc(Cc2noc([C@@H]3CCCCN3C(=O)c3cccs3)n2)ccc1[N+](=O)[O-] 564611214 ZTKKZSWZFTUXJH-HNNXBMFYSA-N 428.470 4.006 5 20 IIBD Cc1cc(=O)c(-c2nc(-c3ccc4ccccc4c3)no2)nn1-c1ccccc1[N+](=O)[O-] 574001136 BAENZDVOEAYAQH-UHFFFAOYSA-N 425.404 4.319 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](COCc1ccccc1)c1ccccc1 574266395 ZBALZHHQCGZPGJ-HSZRJFAPSA-N 447.491 4.170 5 20 IIBD Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 574369065 BCIWYHAFWILKMX-UHFFFAOYSA-N 435.440 4.257 5 20 IIBD CC[C@H](C)c1ccc(NC(=O)Cc2noc(-c3cc([N+](=O)[O-])cc4c3OCCO4)n2)cc1 578098713 JYJSWCGCJHARPU-ZDUSSCGKSA-N 438.440 4.111 5 20 IIBD COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1N1CCCCC1=O 578647623 YIGDVLMOBIYORE-UHFFFAOYSA-N 437.374 4.391 5 20 IIBD CN(C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1nc2c(Cl)cccc2s1 583358573 MFNYHBJQDAYATQ-UHFFFAOYSA-N 446.872 4.209 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCN(Cc4nc(C)c(C)o4)CC3)c([N+](=O)[O-])c2)cc1 583769126 QLPVIVQCEBJIFN-UHFFFAOYSA-N 449.511 4.083 5 20 IIBD COc1cc(-c2nc(CC(=O)Nc3c(Cl)cccc3Cl)no2)cc([N+](=O)[O-])c1C 589145885 KBHFEFYYTLLFJS-UHFFFAOYSA-N 437.239 4.450 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3C[C@H]4CCCCN4c4ccccc43)cc2)c(C)c1[N+](=O)[O-] 590525260 IIOMRZIAHKNZFD-OAQYLSRUSA-N 445.523 4.476 5 20 IIBD Cc1cccnc1OC1CCN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)CC1 590537486 KYEWZXXJJUIPTG-UHFFFAOYSA-N 434.290 4.053 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H]3CCN4CCC[C@@H]4C3)c([N+](=O)[O-])c2)c(C)c1 603864969 SXORLLIJIFJUFF-QZTJIDSGSA-N 444.557 4.051 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])N(Cc1cccs1)c1ccc2c(c1)OCCO2 603950806 GVHUHCGTOJVNBR-UHFFFAOYSA-N 440.477 4.430 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 609254864 YFBGEOFYQSFBCB-JTQLQIEISA-N 431.317 4.065 5 20 IIBD C[C@H](NC(=O)CSCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1 609770561 AVIDRVHUBXAQHF-ZDUSSCGKSA-N 449.916 4.157 5 20 IIBD O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 609873185 LODZEXUZYYQCNB-UHFFFAOYSA-N 444.309 4.356 5 20 IIBD CC(C)(C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1ccc([N+](=O)[O-])cc1 610044958 KBARBMIJDLUQGU-QFIPXVFZSA-N 431.492 4.239 5 20 IIBD COc1ccc2c(c1)OCC[C@H]2NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 610241038 RMANSKHEKTUAFW-HXUWFJFHSA-N 433.464 4.469 5 20 IIBD COc1cc(C(=O)OCC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)ccc1[N+](=O)[O-] 725944554 CYRQZZMHJVESOA-IBGZPJMESA-N 440.496 4.421 5 20 IIBD Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 726766233 NAEZXTWXECDQMO-UHFFFAOYSA-N 449.850 4.458 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1I)N(CC1CC1)C1CCCCC1 727713324 FUQHYNRTXCQZIZ-UHFFFAOYSA-N 428.270 4.384 5 20 IIBD COc1ccc(CC(=O)O[C@@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)cc1[N+](=O)[O-] 727885696 FHPGELBBXRPYHN-INIZCTEOSA-N 440.452 4.020 5 20 IIBD Cc1nc(C(=O)OCc2c(F)cccc2[N+](=O)[O-])nn1-c1c(Cl)cccc1Cl 728999641 RWDZZGDPSBLOID-UHFFFAOYSA-N 425.203 4.287 5 20 IIBD CN(C(=O)c1cccc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)c1)c1ccccc1 729779154 FWDZXVWNYYTNIA-UHFFFAOYSA-N 448.431 4.095 5 20 IIBD CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 730453318 YYHXVEUYQUPWAZ-GFCCVEGCSA-N 426.491 4.037 5 20 IIBD C[C@H](OC(=O)c1ccccc1COc1cccc(C=O)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 731749164 CCBGPMYQAWJQND-INIZCTEOSA-N 448.431 4.170 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])OCc1nnc(-c2ccccc2Cl)o1 735010481 RCTRKMJTRICINU-UHFFFAOYSA-N 438.223 4.464 5 20 IIBD COc1ccc([C@H]2[C@@H](COC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CCC(=O)N2C)cc1 737339007 GSNLZSPXNXENTI-VLIAUNLRSA-N 432.860 4.023 5 20 IIBD COc1cc(N2CCC(OC(=O)CCCOc3ccccc3F)CC2)ccc1[N+](=O)[O-] 739379530 GQRZEQGDAPZDEH-UHFFFAOYSA-N 432.448 4.114 5 20 IIBD COc1cc(N2CCC(OC(=O)/C=C/c3nc4ccccc4s3)CC2)ccc1[N+](=O)[O-] 739384671 JYCHTTBTDAIIAA-CMDGGOBGSA-N 439.493 4.439 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NC[C@H](O)c2ccccc2Cl)cc1[N+](=O)[O-])c1ccccn1 740932498 JZDQSVVJNURLFI-SZNDQCEHSA-N 440.887 4.280 5 20 IIBD COc1ccc([C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)c2ccccc2Cl)c(OC)c1 742889990 PQSCVWGENRCWHE-NRFANRHFSA-N 441.871 4.367 5 20 IIBD CC(C)(C)c1ccc(N2CCC(NC(=O)COc3ccc([N+](=O)[O-])c(F)c3)CC2)cc1 745867791 MEDNQBJKVVSEEN-UHFFFAOYSA-N 429.492 4.195 5 20 IIBD CCN(C(=O)[C@@H](C)OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 747957967 IFHBPYOBWBHBLR-CQSZACIVSA-N 425.466 4.317 5 20 IIBD COc1cc(CN2CCC[C@H]2C[C@@H](O)c2cccs2)c([N+](=O)[O-])cc1OC(F)F 750837192 IRJRUCUOUFQNRR-DZGCQCFKSA-N 428.457 4.354 5 20 IIBD O=C(NCc1c(F)c(F)cc(F)c1F)c1cc(Br)cc([N+](=O)[O-])c1Cl 750894091 QTVDMLVKVVTSRJ-UHFFFAOYSA-N 441.562 4.497 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2cccc(-c3ccccn3)c2C)c([N+](=O)[O-])c1 755027612 URHXSLQGCOKQDY-HNNXBMFYSA-N 435.436 4.158 5 20 IIBD C[C@H](OC(=O)Cc1ccccc1NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] 756466810 NHIUHVSQSUULAH-AWEZNQCLSA-N 443.456 4.055 5 20 IIBD COc1ccc(Br)c(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c1 756924180 QAQZKUIMEVJCTQ-UHFFFAOYSA-N 428.670 4.019 5 20 IIBD CC(C)(C)OC(=O)NCC1(c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)CCCC1 762306993 BQXNXSOXCVJBLU-UHFFFAOYSA-N 441.488 4.386 5 20 IIBD Cc1cc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)cc([N+](=O)[O-])c1F 762449318 RABIPDZJSDHSTN-UHFFFAOYSA-N 444.366 4.048 5 20 IIBD CCCc1c(NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cnn1-c1ccc(C)cc1 764689799 VREDZJKMRNANEF-UHFFFAOYSA-N 441.875 4.272 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2COCCN2C(=O)OC(C)(C)C)no1 764914173 AYLZQGOTDKWRTK-RDJZCZTQSA-N 432.477 4.023 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(N2CCc3sccc3C2)cc1 766319398 AWKHEWUXDLQNAJ-UHFFFAOYSA-N 445.522 4.034 5 20 IIBD CC(=O)c1ccc(Cl)c(Cl)c1OS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 766486122 YMYYHYYHOITMPW-UHFFFAOYSA-N 441.248 4.420 5 20 IIBD Cc1c(C(=O)OCc2nc3cc(C(F)(F)F)ccc3o2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 767287326 NYDITCVBYIUEJW-UHFFFAOYSA-N 425.275 4.328 5 20 IIBD O=[N+]([O-])c1cc(CN2CCN(Cc3cccc4cccnc34)CC2)ccc1Br 768235060 WIYFHQSKYMQLDF-UHFFFAOYSA-N 441.329 4.223 5 20 IIBD Cc1c(C(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 769362979 CNTKSWUUUMMTPY-AWEZNQCLSA-N 444.513 4.475 5 20 IIBD C[C@@H](Oc1cccc2ccccc12)C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 769376385 AHVYTOZKQCPYSN-CYBMUJFWSA-N 428.828 4.351 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 770267387 DYSQEYXSJFPZGX-UHFFFAOYSA-N 448.279 4.282 5 20 IIBD Cc1nc(SCC(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)c2c(C)c(C)sc2n1 772082450 OHFXITNQSMWOGC-UHFFFAOYSA-N 431.495 4.043 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1F 773614423 WREKIEGDNHDOBK-MRVPVSSYSA-N 431.239 4.050 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccc(-n3cc(Br)cn3)cc1)CC2 773984313 DJOLLTLIQOHZJK-UHFFFAOYSA-N 427.258 4.054 5 20 IIBD CC[C@@H]1Oc2cc([C@@H](C)N[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)ccc2NC1=O 775464602 UCOGAZIYKPMXNV-FMTVUPSXSA-N 446.891 4.036 5 20 IIBD Cc1nc(-c2ccc(NC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)cc2Cl)n[nH]1 775942583 SBEHLKBXEAQQLI-UHFFFAOYSA-N 430.808 4.119 5 20 IIBD CSc1cccc(C(=O)OCc2csc(CC(=O)Nc3ccccc3)n2)c1[N+](=O)[O-] 777075328 VAWYVAYWLBWDSW-UHFFFAOYSA-N 443.506 4.311 5 20 IIBD O=C(c1cc([N+](=O)[O-])c2nsnc2c1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 778390267 MQWVXNAAOYGZJR-MRVPVSSYSA-N 443.432 4.095 5 20 IIBD Cc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 778888111 QOIGXBHFYPWJSG-SNVBAGLBSA-N 428.775 4.342 5 20 IIBD COc1cc(CNC[C@H](O)c2ccc3ccccc3c2)c([N+](=O)[O-])cc1OCC(F)F 779070752 BALXRZQCECZRQU-IBGZPJMESA-N 432.423 4.224 5 20 IIBD CC(C)n1c(S)nnc1[C@@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 780663047 YDBOIAROPKIWIO-MRXNPFEDSA-N 447.564 4.162 5 20 IIBD C[C@]1(C(=O)O[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)CCCOC1 781294830 XCSOJGFNKBCFKO-RXVVDRJESA-N 432.860 4.288 5 20 IIBD O=C1OCCCN1c1ccccc1-c1noc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 784257122 NVQOFWZSMDGPSO-UHFFFAOYSA-N 435.440 4.259 5 20 IIBD Cc1cc(Br)ncc1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 785851370 KPQDCDKLYLXHJU-UHFFFAOYSA-N 433.184 4.401 5 20 IIBD C[C@@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 785954915 SAZGJBYIAIXJIO-SNVBAGLBSA-N 432.776 4.053 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)OCc1coc(-c2ccc(F)c(F)c2)n1 786789095 SXSMYVCXMFXCIJ-UHFFFAOYSA-N 441.346 4.198 5 20 IIBD Cc1ccncc1/C=C/C(=O)O[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 786923640 QCYCUBYZBANTGS-PSKZRQQASA-N 438.465 4.005 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCc1cncn1Cc1ccccc1 792473446 FNHXPJWDKGUHMY-UHFFFAOYSA-N 430.258 4.268 5 20 IIBD COc1cc(CS(=O)(=O)[C@H]2CCc3cc(Cl)ccc32)c([N+](=O)[O-])cc1OC(F)F 795416992 MCSIRWPDIZHYGG-KRWDZBQOSA-N 447.843 4.461 5 20 IIBD COc1cc([N+](=O)[O-])ccc1COC(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O 797476583 SOTUPYXNFXGBMO-UHFFFAOYSA-N 446.818 4.403 5 20 IIBD C[C@@H](OC(=O)c1cc(S)ccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 798725219 WQUYBAHUQFFZMF-MRVPVSSYSA-N 432.351 4.225 5 20 IIBD CCC[C@@H](C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccn1 799533939 CQOIRGPHZDAVKT-CYBMUJFWSA-N 425.363 4.074 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)CCc1c(C)nc2c3cccnc3nn2c1C 803763493 VPBUFDSLCXVQTP-INIZCTEOSA-N 433.468 4.348 5 20 IIBD C[C@@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 804175757 NTCMZIQTZNZEFK-DYESRHJHSA-N 441.528 4.498 5 20 IIBD CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 804228770 GQTSNUSEIOOIJG-KRWDZBQOSA-N 446.529 4.239 5 20 IIBD O=[N+]([O-])c1cc(CN2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)ccc1Br 805780208 BBTDZNOEUWOBSR-GDBMZVCRSA-N 437.294 4.319 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)c2ccc(S[C@H]3CCCCNC3=O)cc2)c1 809046828 PWCPAYVNRSTTPK-XOBRGWDASA-N 444.509 4.282 5 20 IIBD CC(C)(C)C(=O)Nc1nccnc1C(=O)OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811135594 BEFNPLXEKCAMHJ-UHFFFAOYSA-N 427.244 4.033 5 20 IIBD O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(N2CCOC2=O)cc1 811218794 DZTFQOUATAISIU-UHFFFAOYSA-N 425.422 4.032 5 20 IIBD COCCn1c(-c2cccc3cccnc23)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 812083676 BNFVSHTUNOPVNL-UHFFFAOYSA-N 446.511 4.463 5 20 IIBD CCOc1cc(NC(=O)c2cc(Cl)ncc2Br)c([N+](=O)[O-])cc1OCC 812843023 GELMIAAWMNGDKD-UHFFFAOYSA-N 444.669 4.455 5 20 IIBD Cc1nc(Br)sc1C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 813397521 PKICXPWICBNBCE-UHFFFAOYSA-N 438.225 4.327 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC12CCC2 816846948 NTEQIRVCKBTOQE-HNNXBMFYSA-N 449.523 4.450 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC12CCC2 816849958 LTGVOWNKOOFDJG-HNNXBMFYSA-N 429.473 4.393 5 20 IIBD Cc1cc(F)cc(C(=O)Nc2ccc3c(c2)N(C(=O)Cc2ccccc2)CC3)c1[N+](=O)[O-] 818881814 LULLCHNDJGWSAC-UHFFFAOYSA-N 433.439 4.426 5 20 IIBD O=C(NCc1ccncc1)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 911597157 CLKKFECXXSEKOZ-UHFFFAOYSA-N 430.508 4.379 5 20 IIBD O=[N+]([O-])c1cccc(-c2ncn(CN(Cc3cccc(Br)c3)C3CC3)n2)c1 917427905 CARLRHVHEORQSS-UHFFFAOYSA-N 428.290 4.238 5 20 IIBD CCCCCOc1ccc(OC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cc1 917510560 CAQQSZJRCCDYOZ-UHFFFAOYSA-N 437.452 4.237 5 20 IIBD Cc1ccc(C(=O)Nc2ccccc2)cc1NS(=O)(=O)c1cc(F)ccc1[N+](=O)[O-] 917747115 NCKLLVHOUOUQEJ-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD O=C(Nc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1)c1cccs1 917846913 HFNONGZMKFEKPJ-UHFFFAOYSA-N 438.870 4.330 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)CSc1ncnc2sc(C)c(C)c12 918534998 RUGIFEGTMJWTTD-UHFFFAOYSA-N 433.511 4.451 5 20 IIBD O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 918680152 JWGGELIIVVLNMA-UHFFFAOYSA-N 442.686 4.153 5 20 IIBD Cc1nn(C)c(C(=O)O[C@@H](C)C(=O)N2c3ccccc3Sc3ccccc32)c1[N+](=O)[O-] 920659655 RJRZVPZBYNWQNQ-ZDUSSCGKSA-N 438.465 4.012 5 20 IIBD O=C(Oc1cc([N+](=O)[O-])ccc1I)c1csc(-c2ccco2)n1 1116717446 BCVMTDCBGNFMKS-UHFFFAOYSA-N 442.190 4.135 5 20 IIBD C[C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)c1ccc(F)cc1F 1318698842 ISYUAWLRZBQAKB-LBPRGKRZSA-N 443.372 4.344 5 20 IIBD CCc1ccc([C@@H](NCc2cccc(CN3CCN(C)CC3)c2)c2ccc([N+](=O)[O-])cc2)o1 1320377701 BYADDCHFINZGFK-SANMLTNESA-N 448.567 4.377 5 20 IIBD Nc1c(C(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)cc(Br)cc1[N+](=O)[O-] 1327146237 MOYQVSFFGYBHIC-CYBMUJFWSA-N 443.301 4.441 5 20 IIBD COC(=O)C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(Cl)c1 1518405604 UVWVIXCSKXMZDD-AWEZNQCLSA-N 430.766 4.301 5 20 IIBD C[C@@H]1CCC[C@@H]1C(=O)NC1(c2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2)CCC1 1790619971 OXRFPOUNMZDMJB-BEFAXECRSA-N 437.496 4.484 5 20 IIBD Cc1nc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccccc4[N+](=O)[O-])cc3)CCC2)co1 1792315585 CZOAKBYJFWOVNA-KPKJPENVSA-N 446.463 4.352 5 20 IIBD CC1(C)CC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)C1 1800041671 MGQRRYKUEPRYLZ-ACDBMABISA-N 439.556 4.091 5 20 IIBD O=C(/C=C/C1CCCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc([N+](=O)[O-])cc1F 1801525569 HGSKIKMGEOIKRX-NWKATUPTSA-N 443.519 4.051 5 20 IIBD Cc1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccccc3)n[nH]2)cc1[N+](=O)[O-] 1820403646 FNDXDUFVPXJHET-FQEVSTJZSA-N 447.495 4.175 5 20 IIBD CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)CC2)CCC1 1823710813 RLQQFEHKWGJKAZ-OAQYLSRUSA-N 445.535 4.086 5 20 IIBD CC/C=C(\C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 1831292905 KFOXXGXXLVFLCF-QEQOENRNSA-N 445.535 4.252 5 20 IIBD Cc1csc(C(=O)N2CCCC23CN(C(=O)c2cc4cc([N+](=O)[O-])ccc4s2)C3)c1 1841703475 WDZACDFNTNIISJ-UHFFFAOYSA-N 441.534 4.310 5 20 IIBD O=C(Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 9230994 INMCSTVSOUQXIA-UHFFFAOYSA-N 446.847 4.471 5 20 IIBD CCCn1c(S[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nc2cc(Cl)ccc2c1=O 9398861 UGHXBXLBRKRRJM-LBPRGKRZSA-N 446.916 4.487 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccccc1CSC1=NCCS1 9556159 IXADBMMFOKCWOU-UHFFFAOYSA-N 445.522 4.035 5 20 IIBD O=C(CSc1nc(C(F)(F)F)nc2ccccc12)N1CCc2cc([N+](=O)[O-])ccc21 16132881 QRESDGBJIVWORU-UHFFFAOYSA-N 434.399 4.238 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1cc(C(=O)NC2CC2)c2ccccc2n1 17274841 ZLTPRODRHVFIDL-UHFFFAOYSA-N 436.493 4.074 5 20 IIBD CSc1ccc(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1[N+](=O)[O-] 17717719 KCZWGMLNBSIPJY-SNVBAGLBSA-N 430.398 4.193 5 20 IIBD C[C@H](Sc1nnc2n1CCCCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 25020393 SEBCEPUTHGNPTB-JTQLQIEISA-N 429.424 4.051 5 20 IIBD CCOc1cc(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)c([N+](=O)[O-])cc1OC 27574195 VBBZEGZCPVDLOL-GOSISDBHSA-N 447.557 4.267 5 20 IIBD CCN(Cc1ccc(OC)c(OC)c1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 45748886 VVTZNUFTOLUICF-UHFFFAOYSA-N 430.504 4.221 5 20 IIBD COc1ccc(C(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 57509703 GUOPEMDGTCLHFC-UHFFFAOYSA-N 426.450 4.283 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2csc(-c3ccc(Br)cc3)n2)cc1 72074159 LUUKWOXKIGYIKN-UHFFFAOYSA-N 441.284 4.249 5 20 IIBD COc1ccc(CSCC(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] 116002184 LBNLBZINCWJUOV-INIZCTEOSA-N 449.960 4.133 5 20 IIBD COC(=O)[C@H](C)NC(=O)c1ccc(N2Cc3ccccc3-c3ccccc3C2)c([N+](=O)[O-])c1 301158868 GUAFKPCIGBWXDS-INIZCTEOSA-N 445.475 4.073 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@H]1CCCN1c1ccc(Br)cc1[N+](=O)[O-] 301283140 LLINZDOXFFDVSJ-MRXNPFEDSA-N 434.290 4.282 5 20 IIBD CCOc1ccc(C2(CNc3ncc(Br)cc3[N+](=O)[O-])CCOCC2)cc1 301715195 ZURMOXSCJUJPPY-UHFFFAOYSA-N 436.306 4.311 5 20 IIBD Cc1noc(C)c1[C@@H](C)CNc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 301809106 WTOMFMSIJZGRQS-ZDUSSCGKSA-N 430.486 4.216 5 20 IIBD NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F 301934625 QYXSTKQZJHWPMU-ZFWWWQNUSA-N 429.420 4.009 5 20 IIBD CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 302081376 XYHYDPABARMXGV-AWEZNQCLSA-N 441.875 4.042 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2cnc(C3CCCC3)nc2N)no1 426203378 ZFSIDMCIKPEGAU-JTQLQIEISA-N 430.852 4.468 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC=C(c2c[nH]c3ncccc23)CC1 426280801 NSKOUDXPJWRVIR-UHFFFAOYSA-N 445.401 4.489 5 20 IIBD CCN(C(=O)c1ccc([N+](=O)[O-])cc1I)[C@H](C)Cc1ccsc1 426298086 HVLYFPCPHKLBBI-LLVKDONJSA-N 444.294 4.354 5 20 IIBD CCN(C(=O)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2OC)cc1)c1ccccc1 427265433 CCQOHUZIKAFBBL-UHFFFAOYSA-N 433.464 4.451 5 20 IIBD CCNc1ccc(C(=O)Nc2cc(C(=O)N3CCCCC3)ccc2OCC)cc1[N+](=O)[O-] 427867525 SAMQYYUUOAWRHR-UHFFFAOYSA-N 440.500 4.304 5 20 IIBD COc1ccc(-c2ccc(CNC[C@]3(CO)C[C@@H]3c3ccc(F)cc3)o2)c([N+](=O)[O-])c1 428556376 FNYCJXPLFOUYBV-OFNKIYASSA-N 426.444 4.258 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](OCCCc2ccccc2)C1 430957809 UTSSBCCUFMLMRA-QFBILLFUSA-N 431.920 4.299 5 20 IIBD CCN([C@@H](c1cccnc1)c1ccc(F)cc1F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C 431898694 OKBQXPPLIBXIKL-NRFANRHFSA-N 447.463 4.377 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)C[C@@H](O)Cc2ccccc2)c([N+](=O)[O-])c1 433067961 PPEOVDSJTPURCV-URXFXBBRSA-N 433.508 4.118 5 20 IIBD CN(CCCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccccc1F 436062047 AWCGSZZPTXAOIA-UHFFFAOYSA-N 439.437 4.355 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCc2c(cnn2-c2ccccc2)C1 436103983 VMVSGMQIVZYOJP-UHFFFAOYSA-N 438.462 4.205 5 20 IIBD CC(C)[C@H]1CN(C(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)CCS1 437204000 WNBXCZROLZMMJE-OAQYLSRUSA-N 441.553 4.105 5 20 IIBD COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437224912 AMKNTJRLJNGHPL-UHFFFAOYSA-N 446.328 4.097 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N(C)Cc2ccc(Cl)s2)cc1[N+](=O)[O-] 439249845 SMVAUKDAAPQOQP-UHFFFAOYSA-N 439.740 4.201 5 20 IIBD CC1(c2ccc(Br)cc2)CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 440529485 YCSPITRABZLTFR-UHFFFAOYSA-N 432.318 4.010 5 20 IIBD CCCOc1cc(NC(=O)C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1OCCC 442376067 MUTVJGBVJPMBMU-GVDBMIGSSA-N 447.532 4.196 5 20 IIBD C[C@H](NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1nc2ccccc2n1C 444039629 TZQGHLNVIMASOR-LBPRGKRZSA-N 432.430 4.337 5 20 IIBD COc1cc(NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)ccc1F 444462561 DPDGXRNKICDGRM-UHFFFAOYSA-N 437.427 4.292 5 20 IIBD COc1cccc(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1OC1CCCC1 445890695 POAPYNIYEDFFMP-UHFFFAOYSA-N 425.485 4.193 5 20 IIBD C[C@@H](c1nc(Cc2ccc(OCC(F)(F)F)nc2)no1)c1ccc([N+](=O)[O-])cc1F 446013012 UOPMRRUUKFPXSZ-SNVBAGLBSA-N 426.326 4.196 5 20 IIBD Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)n(-c2ccccc2F)n1 446971256 DMQAXNROKQCOBS-UHFFFAOYSA-N 444.366 4.048 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Br)c(C)c2F)cc1OC 447639334 LDAVJVUHAAVFDO-UHFFFAOYSA-N 427.226 4.464 5 20 IIBD O=C(Nc1ccccc1)[C@@H]1CCCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 447667758 FQXHTVPJAUVVOR-GFCCVEGCSA-N 444.360 4.499 5 20 IIBD Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)Cn1cc([N+](=O)[O-])cn1 460251129 KAZVKVRYLVHRGU-UHFFFAOYSA-N 436.447 4.475 5 20 IIBD CCOCCCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H](C(F)(F)F)[C@H]1C 460682880 DYDOTXOUHKBOHD-RHSMWYFYSA-N 441.454 4.447 5 20 IIBD Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)cc2)n1 461569985 NLONQCUZYBFDNB-QGZVFWFLSA-N 430.468 4.074 5 20 IIBD Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)cc2)n1 461570460 DGGBIYQEIVUNMI-KRWDZBQOSA-N 430.468 4.074 5 20 IIBD CC[C@H](c1ccc(F)cc1F)N1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 462914199 QKRMEEKHWOGOKV-HXUWFJFHSA-N 444.482 4.039 5 20 IIBD C[C@H](Sc1nnc(N2CCOCC2)n1-c1cccc(F)c1)c1ccccc1[N+](=O)[O-] 463251999 WVSAHUQBUIUAKE-AWEZNQCLSA-N 429.477 4.005 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(Cc3cc4c(cc3Br)OCO4)CC2)cc1 464779706 VRHJGXCSMHDVQK-UHFFFAOYSA-N 435.274 4.129 5 20 IIBD COC(=O)c1cc(NC(=O)C(C)(C)c2ccccc2Br)c(C)c([N+](=O)[O-])c1 466349290 FJDNUOKOFIXLHR-UHFFFAOYSA-N 435.274 4.369 5 20 IIBD COc1cccc(N(C)Cc2cccc(Br)c2OCC(C)(C)O)c1[N+](=O)[O-] 466416806 UVCIXVHFPRYFHX-UHFFFAOYSA-N 439.306 4.152 5 20 IIBD O=C(NCC(=O)N1CCC[C@H](Cc2csc3ccccc23)C1)c1cccc([N+](=O)[O-])c1 466508673 PCTVBJSOMWJKLO-MRXNPFEDSA-N 437.521 4.021 5 20 IIBD O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)NCc1ccc([N+](=O)[O-])cc1Cl 466518338 YCRGGNMZKXETIZ-OAHLLOKOSA-N 426.281 4.021 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(F)cc1I 467337920 GXHDEFBIGGHPES-UHFFFAOYSA-N 449.607 4.314 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[C@]4(C3)OCc3ccccc34)cc2[N+](=O)[O-])C1 471607607 WDECPZMRFYIMTE-QJMRKGMQSA-N 435.524 4.349 5 20 IIBD COc1ccc(CNc2nnc(SCc3nc4ccc([N+](=O)[O-])cc4[nH]3)s2)cc1 473797337 SAWWXGWPLUBZAS-UHFFFAOYSA-N 428.499 4.236 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCC(N2CCCCC2=O)CC1 478785162 DAJMSVLSSJCJSP-UHFFFAOYSA-N 438.484 4.396 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1OC)N1CCCC1 478953377 ALAKHWOMBCXVKJ-LJQANCHMSA-N 429.542 4.282 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccnc(OCc2ccccc2)c1 478955611 FPOWCZNBCNPZQQ-UHFFFAOYSA-N 449.510 4.445 5 20 IIBD CC[C@@H](c1ccccc1)c1nnc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])s1 479136683 YGUQMAMQGBDJCA-HNNXBMFYSA-N 432.527 4.406 5 20 IIBD O=C(NCCc1nc(-c2ccncc2)cs1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 479646997 WDRIBXLRBVFAGQ-UHFFFAOYSA-N 437.506 4.209 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2nnc3n2CCCC3)CC1 479810043 XDGZKNMLMJOUJJ-UHFFFAOYSA-N 429.546 4.043 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 481807055 NMDAAOYXQBXFLQ-IBGZPJMESA-N 449.960 4.164 5 20 IIBD O=C(c1cc2ccccc2[nH]1)N1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 485397781 CEWQXPQSIXHWEL-UHFFFAOYSA-N 445.454 4.240 5 20 IIBD COc1ccccc1C[C@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])C(C)C 486174659 LQRLXHKEDUGGRR-LBPRGKRZSA-N 427.320 4.425 5 20 IIBD O=C(NCc1nc(-c2cccc(F)c2)no1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 489307403 UGYPZJYJKLORGP-UHFFFAOYSA-N 447.426 4.326 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)cc1SC 489308438 URGATDDBQZDESA-UHFFFAOYSA-N 445.541 4.442 5 20 IIBD Cc1occc1-c1cc(NC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])no1 490209291 MPQSKYIRQGSZTG-INIZCTEOSA-N 442.428 4.356 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1Cc1ccccc1 493917013 OJURYQKKVSPNKH-QGZVFWFLSA-N 447.491 4.319 5 20 IIBD Cc1ccc(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c(OC[C@H]2CCCO2)c1 495006087 LBDCNWVAAJPPCS-JOCHJYFZSA-N 439.512 4.335 5 20 IIBD O=C(NCC1(c2cccc(F)c2)CCCCC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 495136204 IPVMKRMSBHMKON-UHFFFAOYSA-N 429.496 4.179 5 20 IIBD CCC[C@H](C)NC(=O)[C@H]1CCCN(c2c([N+](=O)[O-])cnc3ccc(Br)cc23)C1 496203093 JUMAQHCJPVTWAJ-KBPBESRZSA-N 449.349 4.427 5 20 IIBD O=C(Nc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1)c1ccc(F)cc1 498187769 LQGDSYPUPZFPIA-UHFFFAOYSA-N 444.422 4.464 5 20 IIBD CC(C)(CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc2c(c1)OCCO2 500047843 FLIRTLQEGHBNJS-UHFFFAOYSA-N 439.493 4.197 5 20 IIBD CC(C)(C)NC(=O)c1cccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 502166622 BLNICCRDBFADPN-UHFFFAOYSA-N 427.504 4.322 5 20 IIBD CC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 504758679 DKEMCULDZSLURF-CYBMUJFWSA-N 437.855 4.030 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 505220617 YMQVMTUXWPHEHM-YHJVDBJQSA-N 434.876 4.337 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 509452739 LHOHBDCIAJNQBU-NSODJVPESA-N 428.270 4.301 5 20 IIBD O=C(N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1CCN(c2ccccc2[N+](=O)[O-])CC1 509830377 HUDQVHBBXONGQG-NVXWUHKLSA-N 434.418 4.001 5 20 IIBD O=[N+]([O-])c1cc(F)c(CN(CCn2ccnc2)Cc2ccc(Br)o2)c(F)c1 510934597 GWKSNDQFGUQYPO-UHFFFAOYSA-N 441.232 4.127 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Oc2cccnc2)cc1 511745546 RJYYSUUGVAXRMT-CYBMUJFWSA-N 440.843 4.251 5 20 IIBD CCOC(=O)CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H](C)c1ccccc1 513919842 FWINHHZAWCMEEJ-CQSZACIVSA-N 449.301 4.053 5 20 IIBD Cc1ccc(Br)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 515635998 WFVVBYXPWFMZRC-UHFFFAOYSA-N 437.218 4.068 5 20 IIBD C[C@@H](NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccc(OCc2cccnc2)cc1 517208755 QMUDCNNVJLRLFG-QGZVFWFLSA-N 448.479 4.234 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 517780483 YNVCXIVFMXWKJX-QXAKKESOSA-N 428.489 4.152 5 20 IIBD O=[N+]([O-])c1ccc2nc(NCCc3c[nH]c4cccc(Br)c34)nc(O)c2c1 517791694 ROASOTPRBIJGMI-UHFFFAOYSA-N 428.246 4.142 5 20 IIBD CCN(CC(=O)OC)C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 518469013 WYKZMECRWGNCBQ-FOWTUZBSSA-N 439.493 4.157 5 20 IIBD O=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 519100323 FSIFAIUYIKKRTF-UHFFFAOYSA-N 428.452 4.233 5 20 IIBD O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 520990154 KNLKJKVLXYIVRZ-UHFFFAOYSA-N 444.329 4.102 5 20 IIBD C[C@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)COc1ccccc1[N+](=O)[O-] 521489702 TXPDESSABKXDRS-BBATYDOGSA-N 437.315 4.335 5 20 IIBD O=C(Nc1ccccc1)Nc1cccc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)c1 522512368 DIBMBXGBWIGBHO-UHFFFAOYSA-N 430.424 4.045 5 20 IIBD CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 523497248 VQHXVRIVZISMRN-WZONZLPQSA-N 437.540 4.033 5 20 IIBD CO[C@@H](CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1ccccc1 525752134 YRRGKQDEKFHRJH-KRWDZBQOSA-N 435.267 4.205 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N(CCCO)Cc1ccc(Cl)c(Cl)c1 532024399 HQUBVOIMALHTMZ-UHFFFAOYSA-N 449.294 4.112 5 20 IIBD COc1ccc(Cl)cc1CN1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 534074686 MUUIMBUBGYZSSR-UHFFFAOYSA-N 442.903 4.230 5 20 IIBD CCc1csc(-n2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3C(=O)c3ccccc3)cn2)n1 534214676 OYVBTXMWSMDFKH-UHFFFAOYSA-N 447.476 4.283 5 20 IIBD CCC(CC)c1cc(CNC(=O)c2cc(I)cc([N+](=O)[O-])c2)on1 535026946 PONKJMYCYWRHPS-UHFFFAOYSA-N 443.241 4.021 5 20 IIBD C[C@H](c1ccc(F)cc1)N(C)C(=O)c1cc(I)cc([N+](=O)[O-])c1 535736586 SLZVUTRTZUUNAT-SNVBAGLBSA-N 428.201 4.172 5 20 IIBD CC(C)(C)OC(=O)c1ccc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 536143913 DLCJDVLJTSNINE-UHFFFAOYSA-N 426.469 4.234 5 20 IIBD Cc1cc(F)c(NC(=O)CCc2cccc([N+](=O)[O-])c2)c(I)c1 536574039 QKWIUCNJGAJCMI-UHFFFAOYSA-N 428.201 4.218 5 20 IIBD COc1ccc2ccccc2c1-c1cc(Cn2cc(Br)c([N+](=O)[O-])n2)on1 537555418 HHVHWKYDJNTFOQ-UHFFFAOYSA-N 429.230 4.419 5 20 IIBD COc1ccc(CN2CC[C@H](C3CCOCC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 539822729 JJTHOKZCYJFPJS-NRFANRHFSA-N 426.513 4.431 5 20 IIBD COc1cc(C(=O)N2CCN(C)[C@H](C)[C@@H]2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 540014076 XUIWEJOSOYVZDA-KGLIPLIRSA-N 433.892 4.214 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 540534003 DYHGRCQOSLKCAU-UHFFFAOYSA-N 441.456 4.378 5 20 IIBD Cc1cc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)ccc1-n1nnnc1C(C)C 542274483 JIWJMJKLVJKGAR-AWEZNQCLSA-N 426.502 4.122 5 20 IIBD C[C@@H](NC(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1)c1cccc([N+](=O)[O-])c1 542441523 IQKRAPVRTNNCSR-QAPCUYQASA-N 426.521 4.411 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)N[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)n2)cc1F 542610341 KRDHWHQBEUMSFO-ZIAGYGMSSA-N 427.436 4.079 5 20 IIBD Cc1cc(-c2nc(C3CC3)no2)ccc1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C 543163699 NWLNJDNARIAAEH-UHFFFAOYSA-N 428.470 4.248 5 20 IIBD CCn1c(SCC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1 543858409 ZBWDZHDNHSFSNJ-UHFFFAOYSA-N 447.904 4.266 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(CN2C(=O)CCCC2=O)cc1 546161190 MOKRTAUYBLPLGB-UHFFFAOYSA-N 447.900 4.018 5 20 IIBD C[C@H]1CCCN1C(=O)c1ccc(-c2noc(CCCNc3ccc([N+](=O)[O-])cc3)n2)cc1 546562507 YQDOZILDKSSBFS-INIZCTEOSA-N 435.484 4.314 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N(CC)Cc2ccccc2Br)cc1OC 546669543 HYZGILGXUJSJKH-UHFFFAOYSA-N 437.290 4.427 5 20 IIBD C[C@H](C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1)c1cccc([N+](=O)[O-])c1 547746558 JCFKIRFWAPCJHX-ZDUSSCGKSA-N 446.301 4.336 5 20 IIBD O=[N+]([O-])c1ccc(N(CCn2ccnc2)Cc2ccc(Br)o2)c2ccncc12 553245025 HBRAYNGOPSYXQR-UHFFFAOYSA-N 442.273 4.402 5 20 IIBD CCc1noc(C)c1CNc1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1[N+](=O)[O-] 558952252 YKXXXNXHSXOQCR-UHFFFAOYSA-N 444.513 4.281 5 20 IIBD Cc1cc(NC(=O)N2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)ccc1[N+](=O)[O-] 574720645 DGXAIPSVQKKKOG-QGZVFWFLSA-N 425.363 4.407 5 20 IIBD CC[C@@H](c1ccccc1OC)N(C)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 578279810 BFTAGBPAXMNYLC-INIZCTEOSA-N 441.513 4.106 5 20 IIBD Cn1cncc1CCNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 580388757 ZOZAMYKUTNFGPQ-UHFFFAOYSA-N 439.522 4.062 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccsc2)c1 603640950 TZTTWWRGXRLQKU-UHFFFAOYSA-N 445.522 4.004 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)c(Cl)c1 603972500 AIFOUYGIZDXAPN-UHFFFAOYSA-N 446.794 4.254 5 20 IIBD C[C@@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 603982634 MSXBDEDRGXZLKF-CYBMUJFWSA-N 437.905 4.064 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCCN(CC2CCCCC2)CC1 604187896 NNSVPLXAXJLVCG-UHFFFAOYSA-N 443.466 4.264 5 20 IIBD COc1cccc2c1OCC[C@H]2NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 604570772 JRIZCDRLWIJAMS-HNAYVOBHSA-N 448.479 4.425 5 20 IIBD c1ccc2c(c1)nc(CSc1nnnn1-c1ccc3c(c1)OCCO3)c1ccccc12 604841632 SDBHUHXRONTUTN-UHFFFAOYSA-N 427.489 4.427 5 20 IIBD Cc1nn(CCC(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)c(Cl)c2)c(C)c1[N+](=O)[O-] 608805017 RSCSMGXUSCOKDP-CYBMUJFWSA-N 447.923 4.105 5 20 IIBD CCCOc1ccc(CNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)cc1OC 608830619 MYIBQAYHPVUGGA-UHFFFAOYSA-N 444.875 4.204 5 20 IIBD COc1ccc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3I)ccc2n1 608950024 FOLHVDITEZPFOU-UHFFFAOYSA-N 449.204 4.009 5 20 IIBD Cn1c([C@@H]2CCCCN2C(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)nc2ccccc21 609761991 WRKZBKKRYKPWTR-FQEVSTJZSA-N 431.452 4.103 5 20 IIBD COC[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 609816904 JUEYGSQTAPJTOX-KRWDZBQOSA-N 437.418 4.331 5 20 IIBD COc1ccc([C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2Cl)cc1 610104523 AAAFRMLOAWTQTF-HXUWFJFHSA-N 439.855 4.101 5 20 IIBD COC(=O)c1coc(COC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)c1 726637807 RJDLNWFMJLMSGP-UHFFFAOYSA-N 427.365 4.132 5 20 IIBD Cc1c(C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 727394702 CYVDOPPESWVODC-KRWDZBQOSA-N 440.239 4.332 5 20 IIBD Cc1cc(C2=N/C(=C/c3csc(-c4ccc5c(c4)OCO5)n3)C(=O)O2)ccc1[N+](=O)[O-] 728453651 MAXOTKYNSJUTIF-OVCLIPMQSA-N 435.417 4.100 5 20 IIBD CC(C)(Oc1ccc(Cl)cc1)C(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 729192683 NHHDEZZABGIREG-UHFFFAOYSA-N 433.892 4.260 5 20 IIBD Cn1c2ccccc2c2cc(C(=O)O[C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)sc21 731501821 HJHBZHDLSHNEJO-GOSISDBHSA-N 435.461 4.264 5 20 IIBD O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccnc1Sc1ccccc1 731503283 XBNHRLFUZJDXIY-IBGZPJMESA-N 435.461 4.103 5 20 IIBD O=C(OCc1ccc(OCc2cccnc2)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 733444176 GCCWSYGBNQKONN-UHFFFAOYSA-N 430.420 4.112 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)Cc1ccc(Cl)cc1Br 733601708 LEIKVYDDJIXVDJ-UHFFFAOYSA-N 441.665 4.044 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@H](c3ccccc3)C3CCOCC3)cc2)c(C)c1[N+](=O)[O-] 734348539 UVFMIBHZPARRPU-HSZRJFAPSA-N 448.523 4.354 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(CS(=O)(=O)c2ccccc2)o1 734782234 QHOCEBIYJDQMBQ-UHFFFAOYSA-N 435.841 4.172 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N[C@H]2CCCc3nc(C)ncc32)c([N+](=O)[O-])c1 734832491 HLTIIIKFGQJAII-FQEVSTJZSA-N 446.463 4.200 5 20 IIBD CCN(CC)C(=O)c1ccc(OC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 741598391 ZTXCPVRPLKMKAG-UHFFFAOYSA-N 425.466 4.420 5 20 IIBD C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)Oc1ccc(Br)cc1 742876217 RFIRWOYVYBJKGM-AWEZNQCLSA-N 448.317 4.155 5 20 IIBD CCN(C)C[C@@H]1CCN([C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C1 744423295 CMKHAXOESIMLPS-KKSFZXQISA-N 430.936 4.202 5 20 IIBD C[C@@H](OC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1 744740373 DUVFQFFLLAXFTA-GHMZBOCLSA-N 427.240 4.239 5 20 IIBD COc1cc(C(=O)O[C@@H](C)c2nc(-c3ccccc3C)no2)c([N+](=O)[O-])cc1OC(F)F 746062870 OZSTUYNJRFMKBJ-NSHDSACASA-N 449.366 4.481 5 20 IIBD CSc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1 748951266 OCFSWRWSRWTETI-GFCCVEGCSA-N 433.442 4.026 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NC1(c2ccc(Cl)c(Cl)c2)CC1 749032664 BMBCKMHQWVPCGY-UHFFFAOYSA-N 428.659 4.299 5 20 IIBD O=[N+]([O-])c1ccc(NC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c([N+](=O)[O-])c1 749894173 ZKJCKESFTCSGQV-SFHVURJKSA-N 440.378 4.007 5 20 IIBD CCOc1ccccc1NC(=O)[C@H](C)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 750617817 WMSLDTROVIJBAD-ZDUSSCGKSA-N 448.317 4.141 5 20 IIBD Cc1noc([C@@H](OC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c2ccccc2)n1 750873157 QSFTVZDHQYVZIS-INIZCTEOSA-N 437.330 4.174 5 20 IIBD CC(C)N(C)C(=O)c1ccc(Cl)c(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 751284499 NQQPBMOFCIGYEA-UHFFFAOYSA-N 446.312 4.183 5 20 IIBD CC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1 753435397 ZXXUXIZUJLJPTG-LLVKDONJSA-N 449.257 4.052 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 754454753 QBCVCYGIQITKOD-MRXNPFEDSA-N 444.444 4.324 5 20 IIBD Cc1ccc(-c2csc(NC(=O)C3(CNC(=O)OC(C)(C)C)CC3)n2)cc1[N+](=O)[O-] 758865714 LUVIDFQJYOSZBK-UHFFFAOYSA-N 432.502 4.270 5 20 IIBD O=C(OCc1ccc(S(=O)(=O)C(F)F)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 760372605 JBTZZVYCUILWAD-UHFFFAOYSA-N 427.406 4.163 5 20 IIBD Cn1c(C(=O)O[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)ccc1[N+](=O)[O-] 761049074 JOBWLGDVIVFOKH-GOSISDBHSA-N 447.369 4.489 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3cccc([C@@H]4CCOC4)c3)CC2)ccc1[N+](=O)[O-] 762063694 KCLHKDCQIAYGMR-LJQANCHMSA-N 440.496 4.323 5 20 IIBD CC[C@H]1CCCC[C@H]1OCC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 766811148 ONCSBVLMAYEKLN-BLLLJJGKSA-N 432.395 4.081 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Oc1ccc(C2CCC2)cc1 768034588 UPXPSUNAWFEHMS-FQEVSTJZSA-N 428.510 4.319 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC(O)(c4ccccc4)CC3)cc2[N+](=O)[O-])C1 768584633 WWIISUYDHOQJIH-KDURUIRLSA-N 437.540 4.201 5 20 IIBD COc1ccccc1COC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 770386179 LJDVGQVJIHQVKJ-UHFFFAOYSA-N 449.301 4.187 5 20 IIBD Cn1c(COC(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)nc2ccc(Br)cc21 777067920 AASWZUVGEGCZFD-UHFFFAOYSA-N 442.628 4.394 5 20 IIBD COc1ccc([C@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c2ccccc2)cc1 783290266 NGOCEERCHJQXMY-HXUWFJFHSA-N 439.855 4.101 5 20 IIBD COc1cccc([C@@H]2C[C@@H](C)CN2c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])c1 784181253 MALFZGHDTXFJMK-PXAZEXFGSA-N 426.441 4.187 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@@H]3CCCN3c3ccccc3)CC2)ccc1[N+](=O)[O-] 786423523 DUSLTAWUMXZJEN-QFIPXVFZSA-N 439.512 4.175 5 20 IIBD COc1ccc(CC(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)nc1 789881397 NUUNBROMVLEONK-UHFFFAOYSA-N 441.827 4.052 5 20 IIBD CC[C@H]1c2ccsc2CCN1C(=O)COC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790744557 GRVJNKQBTQCCRZ-HNNXBMFYSA-N 440.880 4.071 5 20 IIBD CCOc1c(Cl)cccc1CC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 791501911 BXXUAXIFSBNQDR-UHFFFAOYSA-N 427.240 4.025 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])s1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 793105351 WHPDRTDTPJEVRX-QMMMGPOBSA-N 439.421 4.242 5 20 IIBD O=C(COc1cc(Cl)c(Cl)cc1[N+](=O)[O-])Nc1ccnn1Cc1cccs1 794495167 OJTNZTAJIUTXSN-UHFFFAOYSA-N 427.269 4.225 5 20 IIBD CCOc1ccc([C@H](C)NC(=O)COc2cc(F)c([N+](=O)[O-])cc2Cl)cc1OC 795247984 RTISIUXROVWKDZ-NSHDSACASA-N 426.828 4.051 5 20 IIBD C[C@H](CN(C)C(=O)OC(C)(C)C)c1noc(-c2cc([N+](=O)[O-])ccc2N2CCCC2)n1 795735256 DSSIRBDVCFFWQA-CQSZACIVSA-N 431.493 4.215 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1c(-c2ccccc2C)noc1C 796212282 YGHNCWRNEBWPBO-CQSZACIVSA-N 439.424 4.059 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1ccccc1Br)c1cccc([N+](=O)[O-])c1Br 797575612 IZPAVIRMZWGHTK-WCQYABFASA-N 440.091 4.406 5 20 IIBD CCOC(=O)C1CCN(C(=O)c2ccc(NCc3cc(Cl)ccc3[N+](=O)[O-])cc2)CC1 798084993 HOAQMCUTXBRHDL-UHFFFAOYSA-N 445.903 4.276 5 20 IIBD CC(C)(C)OC(=O)NCC[C@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 799780235 KAJRBQSFHMCBGG-QGZVFWFLSA-N 449.551 4.448 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 800144375 XKVACXSBNMKSJW-FQEVSTJZSA-N 435.411 4.237 5 20 IIBD CS(=O)(=O)c1cc(COC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc(C(F)(F)F)c1 800979580 SGYGKGYMIMPYKU-UHFFFAOYSA-N 437.779 4.028 5 20 IIBD COCCn1c(CSc2ccc(C)cc2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 802343022 QONOWIFKULQKKH-UHFFFAOYSA-N 427.530 4.070 5 20 IIBD CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 804230132 SCKCJNQQFAWRLL-IBGZPJMESA-N 449.551 4.062 5 20 IIBD CC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(Br)cc1N1CCOCC1 804562189 WVPSXQSGEQXPKF-UHFFFAOYSA-N 434.290 4.009 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3COc4ccccc4[C@@H]3O)o2)c(Br)c1 808452603 MJIFUVBHZXWTCQ-PXNSSMCTSA-N 445.269 4.202 5 20 IIBD O=C(Nc1ccc(Cl)cc1OCC(F)F)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 809290038 HJKPFRZWHVOACP-INIZCTEOSA-N 425.775 4.024 5 20 IIBD CC(C)S(=O)(=O)c1ccc(C(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 811086078 NFECXIHENCNYGR-UHFFFAOYSA-N 432.281 4.441 5 20 IIBD Cc1cccc(Br)c1C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 811271439 IUVNHHNTGZLKRT-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD Cc1cc(C(=O)O[C@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)c(C)n1CC(F)(F)F 813171404 KKTMIOZWTOHJLL-KRWDZBQOSA-N 425.407 4.007 5 20 IIBD O=C(Nc1ccccc1C(=O)OCCC1CCOCC1)c1ccc([N+](=O)[O-])cc1Cl 814437123 ZCCWXGPVIBMPTR-UHFFFAOYSA-N 432.860 4.474 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 816864581 RMDYTLFMEGWMGO-HNNXBMFYSA-N 443.422 4.133 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)O[C@H](C)C(=O)NCC(F)(F)F)cc2[N+](=O)[O-])cc1 820879762 YWDWNTLMDZBMFI-GFCCVEGCSA-N 442.415 4.278 5 20 IIBD COc1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1NC(=O)OC(C)(C)C 915079464 ZKKCGVMWNNOHEW-UHFFFAOYSA-N 446.416 4.419 5 20 IIBD O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCC(Oc2ccc(F)cc2F)CC1 916452819 VEXNTMOFVZXUSX-UHFFFAOYSA-N 441.228 4.319 5 20 IIBD COc1ccc(CNC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)cc1[N+](=O)[O-] 917846439 QPMWSZOUNDIMAH-UHFFFAOYSA-N 449.294 4.393 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)CCCOc1ccccc1F 918554083 JZISCMROUFCORY-UHFFFAOYSA-N 442.447 4.380 5 20 IIBD O=C(CCC(=O)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 918638123 OPLIMWAJTRTFFJ-HXUWFJFHSA-N 438.480 4.186 5 20 IIBD Cc1c(C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 918674063 UKLQDFJZAVMKFC-RKDXNWHRSA-N 429.273 4.014 5 20 IIBD Cc1ccc(C(=O)N(C)C)cc1OC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 1342601952 FZOYPONSGMFGPO-UHFFFAOYSA-N 433.464 4.436 5 20 IIBD CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])c4c3OCO4)CCC2)cc1 1787703998 KPORSGFNRBCSTH-UHFFFAOYSA-N 439.468 4.117 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)Cc4cccc([N+](=O)[O-])c4)CCC3)cc2)ccn1 1789749558 XVSFYDHNYHMKOJ-UHFFFAOYSA-N 444.491 4.289 5 20 IIBD CC1(C(=O)Nc2ccc(C3(NC(=O)c4n[nH]cc4[N+](=O)[O-])CCC3)cc2)CCCCC1 1791533713 CHKZXNHYDUVETN-UHFFFAOYSA-N 425.489 4.036 5 20 IIBD C[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 1801206849 ALEJGFBUBPJBCD-YRHQEJDOSA-N 441.553 4.498 5 20 IIBD CC(C)CC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1824838057 BDQFQDIZCQMFGT-QFIPXVFZSA-N 429.561 4.193 5 20 IIBD CCOC(=O)c1cc(C(=O)OCc2ccc(C(=O)Nc3ccccc3)cc2)cc([N+](=O)[O-])c1 11296635 VZNJHPDUJZFCPV-UHFFFAOYSA-N 448.431 4.381 5 20 IIBD C[C@@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Br)c1 16720156 DMSFYLKXFCMWMB-LLVKDONJSA-N 439.287 4.020 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 27971397 ZDZOXWSXWSQHOU-UHFFFAOYSA-N 439.537 4.110 5 20 IIBD C[C@H](OC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C(=O)N(C)Cc1ccccc1 28699448 BTFZKUDWGKPQKD-SFHVURJKSA-N 447.491 4.411 5 20 IIBD O=C(Cn1cnc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 29211619 ZIDZKPBKJLUJRZ-UHFFFAOYSA-N 428.920 4.442 5 20 IIBD O=C(c1cccc2[nH]ncc12)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 58384895 GEUXCVKCRXKZOT-UHFFFAOYSA-N 447.520 4.158 5 20 IIBD COc1ccc(C(=O)Nc2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)ccc2C)cc1[N+](=O)[O-] 59776043 VJQUCEFLFZETMJ-GJZGRUSLSA-N 425.485 4.282 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC1CCN(Cc2cccs2)CC1 61567011 ADGVROYSHOKIEE-AWEZNQCLSA-N 437.949 4.105 5 20 IIBD CN(C)C(=O)c1cc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)ccc1Cl 64909099 WMAPVKYXPHDQLN-UHFFFAOYSA-N 430.873 4.326 5 20 IIBD CCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1 108598439 QWLKBTRLNXIPRT-UHFFFAOYSA-N 440.481 4.352 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 108930268 OOUODOJQNVLGBO-UHFFFAOYSA-N 431.436 4.256 5 20 IIBD CCOc1ccc(Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1S(=O)(=O)N1CCCC1 111195192 UEMVNVOBIVEEOT-UHFFFAOYSA-N 448.526 4.131 5 20 IIBD Cc1sc(NC(=O)[C@H](NC(=O)c2ccco2)C(C)C)nc1-c1cccc([N+](=O)[O-])c1 195703904 NGZZALFLGGMJKP-MRXNPFEDSA-N 428.470 4.013 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@@H](c1ccccc1)c1cc2ccccc2o1 302891005 RTSPOLYMVOPWBW-QHCPKHFHSA-N 443.415 4.155 5 20 IIBD O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3ccnc4c(Br)ccc(F)c34)C2)nc1 409731922 LQQOOFDCKQVHQE-LLVKDONJSA-N 432.253 4.130 5 20 IIBD O=C(Cc1cccs1)Nc1ccccc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 409978258 SAIKWNXWZIOIPZ-UHFFFAOYSA-N 434.477 4.431 5 20 IIBD COc1cc(C(=O)Nc2ccc(Oc3cc(C)[nH]n3)cc2)c([N+](=O)[O-])cc1OC(F)F 426796280 BKSUMFGEXSCJNU-UHFFFAOYSA-N 434.355 4.281 5 20 IIBD O=C(NCC1(c2cccc(F)c2F)CCCC1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 427541295 GKCBIXRTLFXPFR-UHFFFAOYSA-N 427.407 4.369 5 20 IIBD CN(CC1(O)CCCCCC1)C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 428621443 QNFVEHOPYOECTQ-UHFFFAOYSA-N 441.315 4.245 5 20 IIBD O=C1CN(Cc2cccc(Br)c2)C(=O)N1CCCCc1ccc([N+](=O)[O-])cc1 431229174 LXFCXUBQGWTEDW-UHFFFAOYSA-N 446.301 4.144 5 20 IIBD O=C(Cc1noc(-c2cc(Br)cc([N+](=O)[O-])c2)n1)Nc1ccccc1Cl 431328863 YKLFZYRMURSDET-UHFFFAOYSA-N 437.637 4.242 5 20 IIBD CCc1ccccc1NC(=O)CN(C)C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 435816496 JUWDCFIDRNICJC-UHFFFAOYSA-N 449.457 4.233 5 20 IIBD O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436092055 WIAZOOXKIOKSFZ-LJQANCHMSA-N 447.485 4.354 5 20 IIBD COc1cc(Oc2ccccc2)ccc1NC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 438103680 ZATQUGXWVSOHGX-HNNXBMFYSA-N 435.436 4.212 5 20 IIBD O=C(Nc1cccc(N2CCCNC2=O)c1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444102678 SDLICIXGJUIZHG-UHFFFAOYSA-N 448.429 4.132 5 20 IIBD C[C@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccc([S@](C)=O)cc1 444235808 GJMXFAQJYFXLMD-ICNDJQDOSA-N 440.471 4.188 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCc2c(Cl)cc(Cl)cc2[C@H]1C 446448376 MXRMLJFNIRCHPS-VXGBXAGGSA-N 436.295 4.166 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(-c3ccc(N4CCCCC4)cc3)no2)c1N1CCOCC1 447244903 CJSCELYOUHYESA-UHFFFAOYSA-N 435.484 4.139 5 20 IIBD CCOc1ccc(Oc2cc(CNC(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)ccn2)cc1 447316998 AWRFOOWSFWBCMT-UHFFFAOYSA-N 448.479 4.449 5 20 IIBD O=C1CCCN1Cc1ccccc1CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] 447674185 ABQPQSOOOPUNGL-UHFFFAOYSA-N 444.360 4.378 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCc1ccc(Oc2cccc(F)c2)nc1 447818855 ZECUPIDYJMRJET-UHFFFAOYSA-N 438.459 4.366 5 20 IIBD CCOc1ccccc1-n1nnnc1SCc1ccc([N+](=O)[O-])cc1C(F)(F)F 448109881 WYOLCVJTOKPIEA-UHFFFAOYSA-N 425.392 4.280 5 20 IIBD Cc1cnn([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3Cl)C2)c1 461383098 OYGUIIFWGKSISE-GOSISDBHSA-N 439.903 4.452 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)NCc2ccc(Oc3ccccc3F)c(F)c2)cc1 462399409 WCJKJKBGKPOMRF-UHFFFAOYSA-N 434.420 4.285 5 20 IIBD C[C@H](C(=O)Nc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1)n1cccn1 463094778 BZBBNVLVPOUZCI-GFCCVEGCSA-N 447.373 4.262 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C[C@@H]1C[C@H]2C=C[C@H]1C2)C1CCN(C)CC1 464696497 ZRAFTPLWAGMNJW-LRSLUSHPSA-N 425.573 4.299 5 20 IIBD C[C@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 465645421 HJMVNQLGPVSGMV-MBSDFSHPSA-N 446.507 4.229 5 20 IIBD O=C(NCCc1ccc(Br)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465979201 JFUPYMOUBAFKAZ-UHFFFAOYSA-N 448.317 4.153 5 20 IIBD O=C(Nc1cc(Cl)ccc1OCC1CCC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 467060912 TZIUSTCVOMXOHJ-UHFFFAOYSA-N 427.848 4.260 5 20 IIBD Cc1cc(C(=O)NCC(=O)N2CCCC[C@H]2c2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] 470598619 GHTYJVQWKMDJEU-IBGZPJMESA-N 449.429 4.406 5 20 IIBD Cc1ccc(C(C)C)c(Oc2ccc(CNCC3(S(C)(=O)=O)CC3)cc2[N+](=O)[O-])c1 475431542 ZQJCJJMXMGFCAZ-UHFFFAOYSA-N 432.542 4.486 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C 475582306 MNXAJLGQCSJUMY-GOSISDBHSA-N 426.473 4.164 5 20 IIBD CCOc1cc(C(=O)N2CCC(CCN3CCCC[C@@H]3C)CC2)c([N+](=O)[O-])cc1OC 478347375 TYNVHNPLHPXLQZ-KRWDZBQOSA-N 433.549 4.119 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 479812803 KROOKXJTFYBIMX-JTQLQIEISA-N 448.829 4.270 5 20 IIBD O=C(NCc1ccc(Cn2cncn2)cc1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 481323579 NDMQUWCSQIUVFZ-UHFFFAOYSA-N 445.504 4.316 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN3CCS(=O)(=O)c4ccccc4C3)o2)c(Cl)c1 482493378 GBYQFPTYKDDKIQ-UHFFFAOYSA-N 432.885 4.298 5 20 IIBD Cc1ccc(-c2ccc(Cl)cc2NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)o1 484462354 ZYPGVUTYEBFPMC-UHFFFAOYSA-N 427.844 4.380 5 20 IIBD Cc1cc([C@@H]2CCCN2c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])ccc1Br 485409735 PTJFCXYYJHDLOR-ZDUSSCGKSA-N 445.360 4.472 5 20 IIBD CSc1cccc(C(=O)Nc2ccc(C(=O)N3CCSCC3)cc2C)c1[N+](=O)[O-] 486246820 XLMBXZYBYHCXQK-UHFFFAOYSA-N 431.539 4.066 5 20 IIBD O=C(NC[C@H](c1ccccc1)C(F)(F)F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 486454193 XWXAKBIGGKPFSQ-LJQANCHMSA-N 437.418 4.494 5 20 IIBD O=C(Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 486825996 QIHLJEQBQHVPQE-UHFFFAOYSA-N 429.772 4.075 5 20 IIBD COc1cc(-c2noc(-c3ccc(Br)cc3[N+](=O)[O-])n2)cc(OC)c1OC 486929311 PABWTIRIYWTCCD-UHFFFAOYSA-N 436.218 4.100 5 20 IIBD O=C(Nc1nc(-c2ccc(-n3cccn3)cc2)cs1)c1n[nH]c2ccc([N+](=O)[O-])cc12 488110071 KYZWZYWXRVNEHU-UHFFFAOYSA-N 431.437 4.033 5 20 IIBD Cc1ccc(-n2cnc3c2CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C3)cc1 488593765 UOWLBUZYZCPPBN-UHFFFAOYSA-N 428.496 4.048 5 20 IIBD Cc1ccc(S(=O)(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)c([N+](=O)[O-])c1 490048805 MQODOYXNUBOCPT-SUMWQHHRSA-N 444.431 4.073 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OCc2ccccc2F)cc1 494469502 GGJCJWSKFXNYIO-OAHLLOKOSA-N 437.427 4.070 5 20 IIBD C[C@H]1CCCN(Cc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3SCCO)cc2)C1 497668125 NOQLJJNMAAPYIL-INIZCTEOSA-N 429.542 4.163 5 20 IIBD CC(C)Oc1cc(Br)ccc1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 498385086 XKBKOCWHEXZGAT-UHFFFAOYSA-N 448.317 4.107 5 20 IIBD C[C@H](C(=O)Nc1ccn(-c2ccc(Br)cc2)n1)c1ccc([N+](=O)[O-])cc1F 498886967 AGQXNSFAOMZXDR-NSHDSACASA-N 433.237 4.424 5 20 IIBD COc1ccc(CNC(=O)Nc2cc(Cl)ccc2N2CCSCC2)cc1[N+](=O)[O-] 501603681 XBPOMUDKGWDIQK-UHFFFAOYSA-N 436.921 4.132 5 20 IIBD Cc1cc(C(=O)Nc2ccc(CCn3nnc(-c4ccccc4)n3)cc2)ccc1[N+](=O)[O-] 504699422 ULUOZLIDUZPUMV-UHFFFAOYSA-N 428.452 4.052 5 20 IIBD Cc1c(C(=O)Nc2cc(-c3ccccc3)nn2C(C)C)nnn1-c1cccc([N+](=O)[O-])c1 505279535 FFCXDIJZHBXTKP-UHFFFAOYSA-N 431.456 4.181 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1[N+](=O)[O-])c1ccccn1 506039772 CDONNGNFVZSCOI-UONOGXRCSA-N 447.451 4.135 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](c1c(F)cccc1F)C(F)(F)F 506269336 LRPBLPPXUSUYIF-QGZVFWFLSA-N 433.333 4.103 5 20 IIBD C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[S@](=O)CCC(=O)Nc1ccccc1[N+](=O)[O-] 507679917 ZRJZEFJKQBWFLO-FCJAZMSBSA-N 448.888 4.137 5 20 IIBD CCOc1cc(C(=O)N(CCc2ccccc2)Cc2ccncc2)c([N+](=O)[O-])cc1OC 507937580 ISFFXINLIOSLGY-UHFFFAOYSA-N 435.480 4.282 5 20 IIBD Cc1c(Br)cc(C(=O)N2C[C@@H](C)O[C@H](c3ccsc3)C2)cc1[N+](=O)[O-] 510479419 OTHASFGHDWKGSE-HWPZZCPQSA-N 425.304 4.329 5 20 IIBD COc1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])cc1OCc1cscn1 511098053 ZIHXMGRGKTWWES-UHFFFAOYSA-N 443.525 4.338 5 20 IIBD COc1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1OCc1cn2ccccc2n1 511356388 VOGOREULYGLAKL-UHFFFAOYSA-N 448.435 4.091 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 511784834 LXYAWCMWLGKVLA-UWJYYQICSA-N 448.926 4.264 5 20 IIBD COc1ccc(S(=O)(=O)N(C)C)cc1NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 512638625 NXNBMAZGYHKYPJ-UHFFFAOYSA-N 447.538 4.194 5 20 IIBD CCCNC(=O)c1cccc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1 515420592 UOGKFKJFPDCTBQ-IAGOWNOFSA-N 438.528 4.469 5 20 IIBD O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 516007031 WUBJYGRAODCXLO-UHFFFAOYSA-N 442.686 4.153 5 20 IIBD CNC(=O)c1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1Br 517621966 YWVRVSRFXZYZJY-UHFFFAOYSA-N 434.271 4.184 5 20 IIBD CN1C(=O)CCc2cc(NC(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)ccc21 521511351 CVAQDURGYAELBG-UHFFFAOYSA-N 430.464 4.368 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNc1cc(Cl)ccc1C(=O)N1CCCC[C@H]1CCO 522980357 ZRZRXSUAZMEVJO-KRWDZBQOSA-N 447.919 4.246 5 20 IIBD COc1ccc(CC[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1OC 523545872 ARHBXEXLJJHYNL-GOSISDBHSA-N 448.541 4.096 5 20 IIBD O=C(NC1(c2ccc(Br)cc2)CCC1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 524208391 DXTUDHNFSPXMGJ-UHFFFAOYSA-N 442.269 4.420 5 20 IIBD Cc1c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)nnn1-c1ccc(OC(F)F)cc1 524680239 RALOLBFDHFZNJE-UHFFFAOYSA-N 445.426 4.136 5 20 IIBD Cc1cc([C@@H](NC(=O)CCn2cc([N+](=O)[O-])nc2C)c2ccccc2Cl)ccc1F 525076467 IRNPRLNRSVOTIR-OAQYLSRUSA-N 430.867 4.497 5 20 IIBD O=C(COc1ccc(Br)cc1[N+](=O)[O-])Nc1ccc(Br)cc1F 525113660 AIPPZXRXCOZOBE-UHFFFAOYSA-N 448.042 4.276 5 20 IIBD Cc1ccc(S(=O)(=O)N(Cc2ccon2)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 525356457 CZPJMCMNDGJWAO-UHFFFAOYSA-N 441.387 4.306 5 20 IIBD COc1cc(C(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)cc([N+](=O)[O-])c1OC 525569704 PMVCWFMAFOJJJI-UHFFFAOYSA-N 438.484 4.407 5 20 IIBD Cc1sc([C@H](C)NS(=O)(=O)c2cccnc2[N+](=O)[O-])nc1-c1ccc(Cl)cc1 531533483 IIQOHOGJCIPSOW-JTQLQIEISA-N 438.918 4.115 5 20 IIBD O=C(CN1CCC[C@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1)Nc1ccccc1[N+](=O)[O-] 533379059 SPENBNPKYUIINH-IBGZPJMESA-N 425.876 4.414 5 20 IIBD Cc1ccccc1O[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 533461929 LNLXUOVSERDNEX-MJGOQNOKSA-N 431.876 4.002 5 20 IIBD CCOc1cc(CNc2cc(C)cc(C)n2)ccc1OCCn1c([N+](=O)[O-])cnc1C 533466922 BCCNRAKHFPKKLL-UHFFFAOYSA-N 425.489 4.201 5 20 IIBD CC[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)[C@H](c1ccc(C)cc1)n1cncn1 534419625 XMAJFPBXTCGNLS-SJORKVTESA-N 431.294 4.132 5 20 IIBD CC(=O)c1cccc(OCc2cc(C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)no2)c1 536122329 VNLSADWZANHPNP-UHFFFAOYSA-N 435.436 4.169 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@@H](C)Nc1cc2ncnc(O)c2cc1[N+](=O)[O-] 536897223 QFFZQACSAZURIO-QGHHPUGFSA-N 433.262 4.194 5 20 IIBD CC[C@@H](CSc1ccccc1[N+](=O)[O-])Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1 539651842 WLRDWGCBHACAIB-FXAWDEMLSA-N 428.558 4.027 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)c1nc(-c2ccccc2)cs1 540642806 HPXSQDWCNOYOPM-HNNXBMFYSA-N 438.509 4.046 5 20 IIBD CCN(CC)C(=O)CCC1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 542070734 BPKXFRQIOBIPQA-UHFFFAOYSA-N 429.439 4.114 5 20 IIBD CCOc1ccc([C@@H]2CCCN2C(=O)Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)cc1 542710899 OSMLLCPQOHUROP-IBGZPJMESA-N 428.876 4.360 5 20 IIBD COc1ccc(NC(=O)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)cc1[N+](=O)[O-] 543889305 JQDWLWWZBLYBMR-UHFFFAOYSA-N 427.436 4.229 5 20 IIBD Cc1nccn1-c1ccc(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1F 544094111 VUSSDBRGXGDIAP-UHFFFAOYSA-N 434.880 4.290 5 20 IIBD C[C@@H](SCC(=O)Nc1ccc(F)cc1)c1nc(CCNc2ccccc2[N+](=O)[O-])no1 545669952 WYQXGUYFRWPRFD-CYBMUJFWSA-N 445.476 4.204 5 20 IIBD Cc1nn(Cc2ccc(-c3nc(Cc4cn5cccc(C)c5n4)no3)cc2)c(C)c1[N+](=O)[O-] 547095475 RESIBTKJJRDUCV-UHFFFAOYSA-N 443.467 4.053 5 20 IIBD CCn1cnnc1-c1cccc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c1 550222297 FDQPANGWERUDSS-UHFFFAOYSA-N 430.262 4.196 5 20 IIBD COc1nc2ccc(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])cc2s1 552221438 HKDAVDHLVXQPEJ-UHFFFAOYSA-N 427.360 4.407 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1 554255372 VOFIQDIOPHJHRN-UHFFFAOYSA-N 437.456 4.141 5 20 IIBD CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 560793532 MYEWXNJRHRSGKV-UIAACRFSSA-N 447.329 4.367 5 20 IIBD CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 560805702 MGZVDNYYGZCDJU-YZUZCNPQSA-N 437.540 4.279 5 20 IIBD CN(CCc1nc(-c2ccccc2)no1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 565439334 JOZZCTXLIQXXFB-UHFFFAOYSA-N 449.389 4.048 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cnc(Cc4ccccc4F)s3)n2)c1 566035332 FXFVBDLPQQLXKD-UHFFFAOYSA-N 426.429 4.431 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(-c4ccccc4COC4CCOCC4)n3)c2c1 570853303 GRRLEVNDCGGDFS-UHFFFAOYSA-N 434.452 4.413 5 20 IIBD COc1cc(Cc2noc(CCCOc3ccc(Cl)cc3)n2)c([N+](=O)[O-])c(OC)c1 574955857 IMXSUFPDUORVGQ-UHFFFAOYSA-N 433.848 4.251 5 20 IIBD CCC[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C 576295169 CBEPULWCSDVFKI-JSGCOSHPSA-N 426.311 4.079 5 20 IIBD CC(=O)NCCN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccc(C)s1 578209131 NBKSAAURYADJHV-UHFFFAOYSA-N 430.555 4.227 5 20 IIBD CSc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)N(C)C)cc1 579518512 PJJPBQICDCNMIU-KRWDZBQOSA-N 427.448 4.368 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COc1cc(Br)cc(C(F)(F)F)c1 588830995 LRGGVTIRNWEDLH-UHFFFAOYSA-N 449.179 4.402 5 20 IIBD Cc1cc(=NC(=O)c2nc3ccccc3cc2Br)c2cc([N+](=O)[O-])ccc2[nH]1 588961808 GFYXCLIRXAZMFR-UHFFFAOYSA-N 437.253 4.436 5 20 IIBD CCOc1ccc(Br)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1CC 589559311 GUNVFRWNHCSDMR-UHFFFAOYSA-N 429.292 4.119 5 20 IIBD CN(CC(=O)NC(c1ccccc1)c1ccccc1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 590452671 TYFPNIHOGQNAKJ-UHFFFAOYSA-N 445.519 4.237 5 20 IIBD CCN1CCc2nc(NC(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)sc2C1 600200486 UYPLAVOBALDROS-UHFFFAOYSA-N 437.525 4.294 5 20 IIBD Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C 603982125 BCYYCPMABXLUAO-GASCZTMLSA-N 445.541 4.131 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1 604448113 NTTNDXBMDDXXML-LLVKDONJSA-N 446.872 4.363 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N[C@H](c3ccccc3)c3nn[nH]n3)cc2[N+](=O)[O-])cc1 604512877 BMMUJKAOXWWBJS-HXUWFJFHSA-N 446.492 4.087 5 20 IIBD CN(C[C@H]1CCCO[C@H]1c1ccccc1)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] 604520387 KVGREUBRHMYQMA-XXBNENTESA-N 434.496 4.163 5 20 IIBD CC(C)(Cc1ccc(Br)cc1)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 608949585 LHXYSJKSKFDAAS-UHFFFAOYSA-N 443.301 4.294 5 20 IIBD CC[C@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)CC1 609763068 DANZYPPPQHAYDI-KRWDZBQOSA-N 445.541 4.356 5 20 IIBD C[C@H]1CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c2ccccc2S1 609986725 XMWXXMGMECNCBH-NSHDSACASA-N 443.344 4.437 5 20 IIBD COc1cc(C(=O)NCc2ccc(OCc3cccc(F)c3)cc2)cc([N+](=O)[O-])c1OC 610169956 JCTYDZVCBJXNEO-UHFFFAOYSA-N 440.427 4.260 5 20 IIBD COc1cc(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(F)cc2)cc([N+](=O)[O-])c1OC 610170689 QZGCVNCHEPQZDW-UHFFFAOYSA-N 442.447 4.487 5 20 IIBD COc1cc(C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc([N+](=O)[O-])c1OC 610174245 QPPNNGWXNPXENO-MRXNPFEDSA-N 438.440 4.029 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(N2CCc3sccc3C2)nc1 611143870 HODWUWAUPPQYDX-UHFFFAOYSA-N 433.493 4.277 5 20 IIBD O=C(NCc1cnn(CC(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611207032 UZHSLDOVPOUFKD-UHFFFAOYSA-N 428.436 4.318 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C(F)(F)F)CC[C@H]1C 611549503 UUQMJOWBRFSCNH-VXGBXAGGSA-N 434.436 4.053 5 20 IIBD O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1CCO[C@H]([C@@H]2CCCO2)C1 613400879 ACZKLVNGOOXONK-ROUUACIJSA-N 448.928 4.419 5 20 IIBD CC(C)[C@H](OC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C(N)=O 725918280 HJYDPGHQJISCLQ-HFZJLKNISA-N 439.493 4.188 5 20 IIBD Nc1cc(C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)ccc1Oc1ccccc1 728641144 WRDLGNSOLDVLGF-UHFFFAOYSA-N 432.392 4.376 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)c1C 732524800 LXNCXISXDZFOFF-UHFFFAOYSA-N 439.465 4.499 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCO[C@H](c2ccccc2Br)C1 732578765 QJPVCYMNFPLPKY-INIZCTEOSA-N 425.666 4.224 5 20 IIBD CCOC(=O)N1[C@H](c2ccc(C)o2)CC[C@@H]1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 736462321 WWVZOGBVLZNRAP-ZWKOTPCHSA-N 449.891 4.470 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@H](O)c3ccccc3Cl)cc2[N+](=O)[O-])C1 740930175 LXGHNJNIOPCLPQ-ZSDSOXJFSA-N 431.920 4.194 5 20 IIBD COc1ccc(CC(=O)Nc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)cc1[N+](=O)[O-] 742887510 NFMOTIFTPFYPAY-AWEZNQCLSA-N 429.473 4.370 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)[C@@H](C)c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 745309474 QABDGCQQNVCWFF-LBPRGKRZSA-N 440.374 4.298 5 20 IIBD COc1cccc(NC(=O)[C@H](OC(=O)Cc2cccc([N+](=O)[O-])c2C)c2ccccc2)c1 748475165 FJYQUXONAJKWCA-HSZRJFAPSA-N 434.448 4.378 5 20 IIBD COc1ccc(CSCC(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)cc1[N+](=O)[O-] 749579993 OAONJSPBXAYWFG-UHFFFAOYSA-N 426.498 4.482 5 20 IIBD CC(=O)Nc1cccc(NC(=O)[C@@H](OC(=O)c2cccc(Cl)c2[N+](=O)[O-])C(C)C)c1 750541541 QPFOHEGUSWUWIX-SFHVURJKSA-N 433.848 4.027 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3ccc(-n4cccc4)nc3)CC2)ccc1[N+](=O)[O-] 753415539 AUFQPXHHWQBNFG-UHFFFAOYSA-N 436.468 4.005 5 20 IIBD COc1cc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)ccc1OC(C)C 754979467 ARJKAHIJMHGZFR-UHFFFAOYSA-N 441.253 4.222 5 20 IIBD CSc1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)ccc1NC(C)=O 754990762 UGXMPZSRYIILHI-UHFFFAOYSA-N 440.836 4.107 5 20 IIBD Cc1nccn1-c1ccc(CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1F 755024248 KVPFEQKGEQEVIV-UHFFFAOYSA-N 448.252 4.312 5 20 IIBD C[C@@H](OC(=O)Cc1ccc(F)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 756631218 UTTMQOPBZGHUPQ-SECBINFHSA-N 432.301 4.005 5 20 IIBD COc1ccc2c(c1)CN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@H](c1ccccc1)C2 759468318 DERYLDZRNAKDHY-QHCPKHFHSA-N 436.439 4.448 5 20 IIBD CCCN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCN(C(=O)OC(C)(C)C)CC1 759618345 OXQLJQASCYRLDI-UHFFFAOYSA-N 444.532 4.257 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H](c2noc(Cn3ccc4cc([N+](=O)[O-])ccc43)n2)C1 761883816 WMXFQMGYTBQXGM-HNNXBMFYSA-N 427.461 4.095 5 20 IIBD O=[N+]([O-])c1cn(CN2CC=C(c3cccc(Br)c3)CC2)nc1-c1ccncc1 762461400 FIAUNAQHXLKWFS-UHFFFAOYSA-N 440.301 4.363 5 20 IIBD COc1cc(CCNC(=O)[C@@H](C)Sc2nc3ccccc3s2)c([N+](=O)[O-])cc1OC 762736187 GHCOSPNUEAEVAO-GFCCVEGCSA-N 447.538 4.061 5 20 IIBD Cn1cc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)c(C(F)(F)F)n1 765209612 IVOUMBVOYHMNPO-UHFFFAOYSA-N 427.564 4.015 5 20 IIBD C[C@@H](c1ccsc1)N1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 765227382 AGYLTGPRJAOOKV-LBPRGKRZSA-N 439.335 4.330 5 20 IIBD COc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)NCc2cccc([N+](=O)[O-])c2)c1 766913242 GQTUJZQLYHIWDZ-QHCPKHFHSA-N 435.480 4.049 5 20 IIBD O=C(OCc1cc(-c2ccc(Cl)cc2)no1)c1cc(Br)ncc1[N+](=O)[O-] 769834856 DUPPYPJEAPSWEN-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD COc1cc(N[C@@H]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])c(Cl)c3)C2)cc(OC)c1 770006115 GCLMCPSYIQFQRR-CQSZACIVSA-N 434.880 4.374 5 20 IIBD COc1cccc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c1F 770064330 QCXSGCXMWATZQX-UHFFFAOYSA-N 425.203 4.487 5 20 IIBD CN1CC[C@@H](CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 778057007 RGTFFDPKWNNYNV-UGSOOPFHSA-N 441.837 4.288 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)N1CCCCC1 778248150 SHOOTRDYCBALDB-LJQANCHMSA-N 433.455 4.039 5 20 IIBD CN(C(=O)c1ccc(C(=O)O[C@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)cc1)c1ccccc1 778789987 RQQSUNARPYJXSM-QHCPKHFHSA-N 445.475 4.307 5 20 IIBD Cc1ccc(NC(=O)COC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c(C)c1 781258230 YTWQIPNCZAULPE-UHFFFAOYSA-N 436.414 4.372 5 20 IIBD COC(=O)[C@H](Cc1ccc(Cl)cc1)OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 781259867 JGWBROPUQLBURJ-NRFANRHFSA-N 435.863 4.276 5 20 IIBD CC(=O)c1sc(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)nc1-c1ccccc1 781561292 GZJDGUJPDBOAET-KRWDZBQOSA-N 436.449 4.053 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 783482176 MFAOFKOFNCTCKJ-UHFFFAOYSA-N 430.892 4.433 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 783830821 JTVHTYDYHGGUSA-OLZOCXBDSA-N 431.411 4.179 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)cc1[N+](=O)[O-] 788555745 FKEJADUUXCHWJI-UHFFFAOYSA-N 442.831 4.036 5 20 IIBD COCCCn1c(C)cc(C(=O)COc2cc(F)c(Br)cc2[N+](=O)[O-])c1C 790296051 OGORNVSBXVEWGA-UHFFFAOYSA-N 443.269 4.213 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(F)cc2C(F)(F)F)c(C)c1[N+](=O)[O-] 790639859 NPWHUJMCZFHKFQ-UHFFFAOYSA-N 437.327 4.079 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)Nc1cc(F)ccc1F 792476442 WDTBOAVIRSYVLF-VIFPVBQESA-N 443.200 4.128 5 20 IIBD O=C(COC(=O)c1cc(-c2cccnc2)nc2ccccc12)Nc1ccc(F)c([N+](=O)[O-])c1 793110476 MIDQTXHVGBXJOJ-UHFFFAOYSA-N 446.394 4.140 5 20 IIBD O=C(C[C@H]1CCCOC1)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 795918790 ZZXONPJMAOZILY-JLTOFOAXSA-N 432.860 4.288 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OCc2ncnn2C(C)(C)C)cc1 801227267 DUYGBQCLKJJABL-UHFFFAOYSA-N 426.429 4.099 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cccc(-c2noc(C(F)(F)F)n2)c1 807048227 QYNQRACABQZTHF-UHFFFAOYSA-N 426.738 4.247 5 20 IIBD C[C@H](OC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccc(SCC(=O)N(C)C)cc1 809074544 PWVAOHIDMXOFBB-HNNXBMFYSA-N 441.509 4.034 5 20 IIBD CN(Cc1cc(Br)cs1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F 809809453 YIKMAYYZWJZCMC-UHFFFAOYSA-N 443.703 4.032 5 20 IIBD COCC1(COC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCC1 811063212 FUJAPRATTHPWMP-UHFFFAOYSA-N 430.423 4.190 5 20 IIBD COCCn1c(-c2ccc3ccccc3n2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 812116064 APBODXKEOLJNPG-UHFFFAOYSA-N 444.495 4.217 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)C[C@H]1c1ccccc1F 812133667 RYPUWIPSTUTGDP-QRWLVFNGSA-N 425.464 4.226 5 20 IIBD Cc1cc(C)cc([C@@H](OC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C(F)(F)F)c1 818664401 XPMDCEVQXSXCLO-MRXNPFEDSA-N 431.388 4.076 5 20 IIBD CCCCCCn1nc(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)c2ccccc2c1=O 825487635 HPSJRFDNJPSSAZ-UHFFFAOYSA-N 430.411 4.416 5 20 IIBD COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)Sc1nc2ccc([N+](=O)[O-])cc2s1 827006370 PVVKLICTHLKTBN-SNVBAGLBSA-N 446.510 4.291 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] 864244914 UWPAZSIJRKTYFT-UHFFFAOYSA-N 445.819 4.257 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1 916607470 BJVHZHKBIWVSAZ-UHFFFAOYSA-N 448.403 4.031 5 20 IIBD CCOC(=O)C1=C(c2ccc([N+](=O)[O-])cc2)N(CC2CC2)C(=O)N[C@@H]1c1ccsc1 918076902 UWCCYJCSLITCSK-GOSISDBHSA-N 427.482 4.107 5 20 IIBD O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 918330561 IIVVWLVATXGWQA-UHFFFAOYSA-N 440.519 4.119 5 20 IIBD Cc1cccc2c(=O)n(CCC(=O)Oc3ccc(-c4ccccc4)cc3[N+](=O)[O-])cnc12 920330613 JSRFZRBRRHDKCU-UHFFFAOYSA-N 429.432 4.276 5 20 IIBD Cc1cc2oc(=O)cc(COC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])c2cc1C 920778789 VXCZPMXFMHOYLQ-CYBMUJFWSA-N 431.828 4.482 5 20 IIBD Cc1nc(-c2ccccc2)sc1-c1nnc(-c2cn(-c3cccc([N+](=O)[O-])c3)nn2)o1 1117204874 WWBFCRCLUPPOMJ-UHFFFAOYSA-N 431.437 4.324 5 20 IIBD CCOC(=O)c1cc(-c2nnc(-c3cc(F)ccc3Br)o2)cc([N+](=O)[O-])c1 1341653050 DKGFFNRBSGHFIK-UHFFFAOYSA-N 436.193 4.390 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(OCC(F)(F)F)n1 1344006135 OWFNRCOMOQMAGZ-UHFFFAOYSA-N 429.420 4.361 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC1CCCC1 1795419930 HBEDBNOGNKGODB-KEADXDLLSA-N 425.529 4.217 5 20 IIBD Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)C3)c1Cl 1803616425 ZSURHKCBEATOIG-SSCFBFAFSA-N 443.887 4.115 5 20 IIBD Cc1c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C(C)C)n[nH]2)cc(Cl)cc1[N+](=O)[O-] 1816730738 HNKSVQDFZVCUBK-INIZCTEOSA-N 433.896 4.242 5 20 IIBD CCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(F)c2[N+](=O)[O-])n[nH]1 1821174426 JIVFKFCEYULBNS-INIZCTEOSA-N 431.468 4.199 5 20 IIBD Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3)CC2)cc1[N+](=O)[O-] 1830364758 GTJNEFQADUCJJM-QHCPKHFHSA-N 449.551 4.379 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1sc2ccccc2c1Cl 1847167290 CDMFWEMGAHJRBC-STQMWFEESA-N 445.884 4.185 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)N[C@@H](C)c2nc3ccccc3n2C(F)F)cc1[N+](=O)[O-] 14099232 LOILOHOIMXBQBX-JTQLQIEISA-N 444.847 4.341 5 20 IIBD C[C@H](OC(=O)c1cc(F)ccc1Br)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 18966086 WWRQDYHGLRGHFG-QMMMGPOBSA-N 445.628 4.334 5 20 IIBD CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 24551022 JNXPQEUIDSIZEM-UHFFFAOYSA-N 433.530 4.174 5 20 IIBD CN(CC(=O)Nc1ccccc1Br)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 24821392 VIBHCJFGSXSJAA-UHFFFAOYSA-N 448.317 4.366 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(N[C@H]2CCCc3c2cnn3Cc2ccccc2)c1[N+](=O)[O-] 25578552 QFTJCUNXZGRVSA-SFHVURJKSA-N 437.456 4.038 5 20 IIBD O=C(c1ccccc1[N+](=O)[O-])N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 30181590 CSBBJRWVVPELTL-UHFFFAOYSA-N 425.485 4.420 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cc2c(cc1F)CCC(=O)N2 32048293 ZVXGETHSFVADSG-UHFFFAOYSA-N 443.378 4.368 5 20 IIBD CCOCCOCc1cccc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 32373820 QUHOXDICGHSUQD-UHFFFAOYSA-N 444.531 4.024 5 20 IIBD O=C(Nc1cccc(CN2CCCCC2=O)c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 65016588 YLCXVXPTZZFIBH-UHFFFAOYSA-N 436.493 4.483 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(-c3nccs3)cc2)ccc1[N+](=O)[O-] 110317675 FFRJGTOBVJKSGE-IBGZPJMESA-N 436.493 4.270 5 20 IIBD Cc1nn(CCC(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)c(C)c1[N+](=O)[O-] 116652425 YJXPGOCIDDFKBF-UHFFFAOYSA-N 431.468 4.095 5 20 IIBD CCS(=O)(=O)c1ccc(N2CCC(Nc3ccc4cc([N+](=O)[O-])ccc4n3)CC2)cc1 301116446 UPYRAHZCDFFUSX-UHFFFAOYSA-N 440.525 4.018 5 20 IIBD Cn1ccnc1C(=O)c1ccc(Nc2cccc(OCc3ccccn3)c2)c([N+](=O)[O-])c1 301260658 OMWSUMQKWSDLGD-UHFFFAOYSA-N 429.436 4.277 5 20 IIBD CCOc1ccc(C2(CNc3ncc([N+](=O)[O-])cc3Br)CCOCC2)cc1 301490991 BFSPEIRIXAXOEU-UHFFFAOYSA-N 436.306 4.311 5 20 IIBD O=c1c(Cl)c(N[C@@H]2CCCN(c3ccccc3F)C2)cnn1-c1ccc([N+](=O)[O-])cc1 301892782 SFLCKVFSYAURHF-CQSZACIVSA-N 443.866 4.014 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2CN(C)Cc2ccco2)c1 303963396 XKRIVPYYLCMHBJ-UHFFFAOYSA-N 425.510 4.472 5 20 IIBD C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 303964688 PJECWIGUPBDPFK-OAHLLOKOSA-N 428.920 4.342 5 20 IIBD O=c1ccccn1C[C@H](Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)c1ccccc1 409529313 NOYCLKBUYAEJOX-NRFANRHFSA-N 442.475 4.584 5 20 IIBD CN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 428707049 GPVOTHAWEJIVNF-WIYYLYMNSA-N 442.947 4.417 5 20 IIBD O=C(NCc1cc(Cl)c2c(c1)OCCCO2)c1ccc(Br)cc1[N+](=O)[O-] 429844857 BLDDZHXTAQDEIJ-UHFFFAOYSA-N 441.665 4.102 5 20 IIBD COC(=O)Cc1sc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])nc1-c1ccccc1 432892968 LGLSXVLHAZVIFP-UHFFFAOYSA-N 439.493 4.350 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccnc(Oc3ccc(F)cc3F)c2)c(C)c([N+](=O)[O-])c1 433708716 KELPCUTUVGUNLM-UHFFFAOYSA-N 443.362 4.408 5 20 IIBD COc1ccc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1NC(=O)C1CCCCC1 433764484 FGGGTIUGCRCWLI-UHFFFAOYSA-N 429.477 4.221 5 20 IIBD CCOc1ccccc1Nc1nnc(SCc2nc3cc([N+](=O)[O-])ccc3o2)s1 434793040 KBJKYLROCILVPO-UHFFFAOYSA-N 429.483 5.022 5 20 IIBD O=C(NCc1cnn(Cc2ccccc2)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436106044 QEVVDRYUDCRWTN-UHFFFAOYSA-N 444.441 4.134 5 20 IIBD O=C(NCCc1cc(Br)ccc1F)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437998747 FNWRPTVHOHEKDF-UHFFFAOYSA-N 436.281 4.413 5 20 IIBD COc1ccc(NC(=O)C(=O)Nc2cccc(CO[C@H]3CCC[C@@H](C)C3)c2)cc1[N+](=O)[O-] 438729059 ZUAQRBHQHLFVBE-BEFAXECRSA-N 441.484 4.276 5 20 IIBD COc1cc(C(=O)N[C@H](C2CCCCC2)C(F)(F)F)c([N+](=O)[O-])cc1OC(F)F 439857451 QGNULQUBTRAGEO-CQSZACIVSA-N 426.338 4.446 5 20 IIBD COc1ccccc1COc1cccc(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1C 441831523 CVGUZVRPURAADR-UHFFFAOYSA-N 449.463 4.376 5 20 IIBD CC(C)(C)C(=O)N1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 442278925 XEUXPOOVGSTIFZ-UHFFFAOYSA-N 427.526 4.077 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 444641498 VFVLKWWWMURYOM-RTWAWAEBSA-N 442.475 4.470 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(/C=C/c3ccc(OC(F)F)cc3OC(F)F)n2)n1C 445609425 HJTJPECANGPTJS-GQCTYLIASA-N 443.313 4.060 5 20 IIBD O=C(Cc1noc(-c2ccc(OC3CCCCC3)cc2)n1)NCc1ccc([N+](=O)[O-])cc1 445710926 BFRUUPUNPPQKPR-UHFFFAOYSA-N 436.468 4.215 5 20 IIBD CC(C)n1cnnc1C1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC1 447676957 DPRQWDBOKBQLPE-UHFFFAOYSA-N 434.369 4.200 5 20 IIBD COc1ccc(CNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])c(C(F)(F)F)c1 447817302 PQYZOUNWYHJUBK-UHFFFAOYSA-N 425.407 4.067 5 20 IIBD CCOCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 460691432 QSSUDMCSKQDEMO-UHFFFAOYSA-N 446.511 4.324 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 461428613 MHSZANUMEMAKRO-FCHUYYIVSA-N 437.543 4.275 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC1(c2ccc(F)cc2)CCOCC1 462330354 FBONCVJHDZRIPT-UHFFFAOYSA-N 449.287 4.025 5 20 IIBD C[C@H]1C[C@@H](c2ccccc2F)N(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 462593664 PZOVZWZIXRLSFD-GTNSWQLSSA-N 443.294 4.268 5 20 IIBD CO[C@]1(C)C[C@H](NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1(C)C 465270419 PUTWDOQIBWAORM-FXAWDEMLSA-N 443.466 4.150 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NC[C@H]3CCN(CC(C)C)C3)cc2[N+](=O)[O-])n1 465271373 ADLBRMHRMPAUOF-OAHLLOKOSA-N 434.587 4.219 5 20 IIBD C[C@@H](CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Oc1ccccc1Cl 466176583 OHPHQCIVKZAKGC-HNNXBMFYSA-N 433.892 4.269 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ncoc1-c1ccccc1 467881176 RKXPOKOWJFDOAG-UHFFFAOYSA-N 434.374 4.387 5 20 IIBD C[C@@H]1OCC[C@]12CN(C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)C[C@@H](C)O2 468530473 JVDBIPKOTYXUDH-VVBPWWLESA-N 428.510 4.155 5 20 IIBD COc1c(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)cccc1[N+](=O)[O-] 475111963 QXYQXMUPVFQAJE-UHFFFAOYSA-N 438.402 4.100 5 20 IIBD COc1ccc(C[C@@H](C)CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1OC 476231229 LRRIWOJIEAXALF-MRXNPFEDSA-N 427.501 4.165 5 20 IIBD Cc1ccccc1-c1nc(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])no1 476363444 HQRLAJHPPNRKEC-UHFFFAOYSA-N 444.447 4.462 5 20 IIBD CC[C@H](Cc1ccccc1Br)N(C)C(=O)CCn1nc(C)c([N+](=O)[O-])c1C 476803592 YXZGCIHIYDQPNY-MRXNPFEDSA-N 437.338 4.040 5 20 IIBD CN(C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])C1c2ccccc2-c2ccccc21 477552462 PECHAHQALABFJZ-UHFFFAOYSA-N 433.489 4.014 5 20 IIBD C[C@H](C(=O)Nc1cccc(Nc2ccc([N+](=O)[O-])cc2Br)c1)n1cccn1 478300863 VJHDKKGBMPDZSZ-GFCCVEGCSA-N 430.262 4.497 5 20 IIBD O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@H]21)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 478560183 NOBSWFYAAFAJKR-MORSLUCNSA-N 429.263 4.155 5 20 IIBD CN(C)C(=O)Nc1ccc(CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1 478568082 KEBFLDCGUDNHLP-UHFFFAOYSA-N 433.468 4.362 5 20 IIBD Cc1cc(CN(CC(C)C)C(=O)Nc2cccc([N+](=O)[O-])c2)nc(N2CCCCC2)n1 480376400 LTHHHBQVMWDQKM-UHFFFAOYSA-N 426.521 4.374 5 20 IIBD COc1ccc([C@H]2CCCN2C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])c(OC)c1 481932490 QSFWDYHIEFHXBB-MRXNPFEDSA-N 432.498 4.320 5 20 IIBD CC[C@@H](CNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)Oc1ccccc1F 482756260 UKUWCBKWXANWLT-IBGZPJMESA-N 440.475 4.183 5 20 IIBD CCO[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)[C@H]1Oc1ccccc1 483960845 UQBWTXPNQSLGRX-QKNQBKEWSA-N 430.526 4.450 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 484595000 VFXOIVZWEXDASX-MRXNPFEDSA-N 426.454 4.048 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 484653393 LLLQKTXMPGTAKI-UHFFFAOYSA-N 449.554 4.134 5 20 IIBD CC(C)n1cnnc1C1CCN(c2c([N+](=O)[O-])cnc3ccc(Br)cc23)CC1 485214767 CCNAQIJFFDCJIQ-UHFFFAOYSA-N 445.321 4.462 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N(CCO)Cc1cccc(Br)c1 486154328 GRGDVHVYBPWXFG-UHFFFAOYSA-N 428.670 4.037 5 20 IIBD O=[N+]([O-])c1cnn(CCSc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)c1 489661212 PUDBQVRPTFRLQP-UHFFFAOYSA-N 430.877 4.137 5 20 IIBD CN(Cc1nc2ccccc2s1)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 494138669 HIEYYXFCQMFEEG-UHFFFAOYSA-N 425.388 4.418 5 20 IIBD CC(C)(C)c1ccc(C(=O)Nc2cc(Br)ccc2-n2cncn2)cc1[N+](=O)[O-] 497789524 FSISTULBFDHEAN-UHFFFAOYSA-N 444.289 4.488 5 20 IIBD O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)c1c(Cl)cccc1[N+](=O)[O-] 497859062 UIBRPHSRKOFIRC-UHFFFAOYSA-N 433.855 4.426 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 501039906 XUMJJGAZHADOMZ-IBGZPJMESA-N 434.899 4.366 5 20 IIBD CCNc1ccc(C(=O)Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)cc1[N+](=O)[O-] 501715650 QHRLRFJYFPHBSE-UHFFFAOYSA-N 444.491 4.411 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(N2CCc3ccccc32)CC1 503369351 CMTSMPXDGFUWNW-OAHLLOKOSA-N 428.920 4.102 5 20 IIBD Cc1cc(Br)cc(C)c1N1CCC[C@H](Oc2ccc([N+](=O)[O-])c(CO)c2)C1=O 504948461 JWWNOGPCWXCKRF-SFHVURJKSA-N 449.301 4.041 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(OCc3cscn3)c2)cc1OC 505063291 ZVKGLLCJSRZPCX-UHFFFAOYSA-N 429.454 4.290 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 506184289 QJUOFMPMPVYXSZ-UHFFFAOYSA-N 434.374 4.227 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cccc(COc2ccc(F)cc2)c1 506308297 GPQTTZOOHNOQPE-UHFFFAOYSA-N 425.416 4.372 5 20 IIBD COc1cc(CN2CCC(Nc3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1OC(F)F 507256341 VSNVTQGOBATWLJ-UHFFFAOYSA-N 425.407 4.420 5 20 IIBD COCCCOc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)cn1 508950876 RQTOECDCVGKNCJ-UHFFFAOYSA-N 428.470 4.089 5 20 IIBD Cc1c(Br)cc(C(=O)NC[C@@H](c2ccccc2)C(C)(C)CO)cc1[N+](=O)[O-] 511613688 QELYMQOBPYAKDF-INIZCTEOSA-N 435.318 4.198 5 20 IIBD Cc1nscc1C(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 511968624 AGGLRHPGOMHMHK-UHFFFAOYSA-N 428.539 4.046 5 20 IIBD COc1cc(C(=O)N(C)[C@H]2CCc3ccccc32)c([N+](=O)[O-])cc1OCc1cscn1 512648000 JBBHDUIQMGHYKW-SFHVURJKSA-N 439.493 4.398 5 20 IIBD CCN(CC)CCn1ccc2cc(NS(=O)(=O)c3ccc(C)cc3[N+](=O)[O-])ccc21 518329417 VQLBRRFAQZPOGB-UHFFFAOYSA-N 430.530 4.001 5 20 IIBD CCC(CC)(CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)N[C@@H](C)c1ccccc1 518456241 ZSCDCDYIPWFMKK-INIZCTEOSA-N 427.501 4.005 5 20 IIBD O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N(Cc1c(F)cccc1F)C1CCCC1 519126817 QOCPKXBAKCISMN-UHFFFAOYSA-N 427.411 4.039 5 20 IIBD COCCOc1c(Cl)cccc1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 519166689 BOOVIESQWGROLY-NSHDSACASA-N 428.272 4.366 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)Nc1ccccc1 520484762 NCABZDPVZBWQNJ-INIZCTEOSA-N 439.493 4.446 5 20 IIBD CN(C)[C@H](CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1cccc(C(F)(F)F)c1 521185148 UZNDUNRZDLQKIA-OKZBNKHCSA-N 425.455 4.186 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1cccc(CSc2ccccn2)c1)c1cccc([N+](=O)[O-])c1 523080258 BVTNLJXTHUTJLU-OAHLLOKOSA-N 436.493 4.098 5 20 IIBD COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 523256090 STMCDYOICOGOMS-DZGCQCFKSA-N 435.933 4.133 5 20 IIBD O=C(c1cccnc1SCC1CCCCC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 524490427 PCEPNEBVZBLGRU-UHFFFAOYSA-N 441.557 4.020 5 20 IIBD CN(c1ccccc1)c1ccc(CNC2CCN([C@H]3CCCC[C@H]3O)CC2)cc1[N+](=O)[O-] 532016291 ZZGGRHKPUORLGW-UKILVPOCSA-N 438.572 4.220 5 20 IIBD CC[C@@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 535904939 HPQKLZXNSPQEHL-YADHBBJMSA-N 434.496 4.064 5 20 IIBD COc1ccc([C@@H](OC)[C@H](C)NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 536777976 NPUHCNXSBZSZLK-SGTLLEGYSA-N 442.390 4.051 5 20 IIBD CC[C@H](C)NS(=O)(=O)Cc1cccc(N[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 537524578 ITMPVPMXOZMNRW-KKSFZXQISA-N 431.558 4.246 5 20 IIBD CCc1nc2ccccc2n1C1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 537917261 KFJGGSACEOHTIC-UHFFFAOYSA-N 444.495 4.170 5 20 IIBD CN(C(=O)c1ncccc1OCC(F)(F)F)c1nc(-c2ccccc2[N+](=O)[O-])cs1 538252561 ZFTFTDNCNLPBLK-UHFFFAOYSA-N 438.387 4.331 5 20 IIBD CCOc1ccc(NC(=O)CNc2cc(F)c(Br)c(F)c2)c([N+](=O)[O-])c1 539240778 DAEAMFNESINSOX-UHFFFAOYSA-N 430.205 4.085 5 20 IIBD Cn1cc(CNCc2cc(Cl)c3c(c2)OCCCO3)c(-c2ccc([N+](=O)[O-])cc2)n1 539418568 NWVRIVXTOPJELN-UHFFFAOYSA-N 428.876 4.100 5 20 IIBD CC[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1OCC(=O)N1CCCC1 542053830 UZDVYIFZQBIMOB-HXUWFJFHSA-N 431.920 4.490 5 20 IIBD COc1ccc(NC(=O)C(=O)N(Cc2ccccc2)[C@H](C)c2cccs2)cc1[N+](=O)[O-] 542996451 NGYBQEUSADKYSF-OAHLLOKOSA-N 439.493 4.393 5 20 IIBD C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 543130886 XMBYXPVUVRNKFD-RDJZCZTQSA-N 433.961 4.367 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCCCC[C@@H]2c2ncon2)cc1[N+](=O)[O-])c1ccccn1 543418160 BLUYVHLLFQYXIW-DNVCBOLYSA-N 436.472 4.303 5 20 IIBD Nc1ncc([N+](=O)[O-])cc1C(=O)N(Cc1ccccc1)Cc1ccc(Br)cc1 544782528 RWTKSQGCPAHRDV-UHFFFAOYSA-N 441.285 4.177 5 20 IIBD COc1ccc(CC(=O)NCc2ccc(-c3nc(-c4ccc([N+](=O)[O-])cc4)no3)cc2)cc1 546259652 ZKOHVKDWXWYFGU-UHFFFAOYSA-N 444.447 4.179 5 20 IIBD O=[N+]([O-])c1ccc2[nH]nc(-c3nc(Cc4c[nH]c5cc(Br)ccc45)no3)c2c1 547250676 ZEQZPOROQUSUMZ-UHFFFAOYSA-N 439.229 4.356 5 20 IIBD Cc1c(COc2ccccc2)cccc1NC(=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 549344099 MKWANYWSHMOJCM-UHFFFAOYSA-N 447.491 4.122 5 20 IIBD COc1ccccc1C1(c2noc([C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)CC1 551499322 OEOHOMVUZPDUTO-IBGZPJMESA-N 448.479 4.352 5 20 IIBD COc1cc(C(=O)NC2(c3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1OCc1cscn1 557160432 USZDPLCNHUIAPW-UHFFFAOYSA-N 443.456 4.197 5 20 IIBD O=C(c1cnc(OC2CCCCC2)c(Cl)c1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 559890702 HRCSYOJHLDJRKX-HNNXBMFYSA-N 445.907 4.076 5 20 IIBD O=C([C@H]1CCS(=O)(=O)c2ccccc21)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 560079482 ZNIVLSPQHPGGDK-NRFANRHFSA-N 436.489 4.089 5 20 IIBD CN(C)CCOc1cccc(-c2noc(-c3ccc4[nH]c5ccccc5c(=O)c4c3)n2)c1 561897466 XKQJREHWFKRPJB-UHFFFAOYSA-N 426.476 4.339 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)cc1[N+](=O)[O-] 572863018 JIYAWXXXTPMUNK-NVXWUHKLSA-N 427.476 4.422 5 20 IIBD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2cccc(Cn3cnc4ccccc43)c2)n1 573674592 YQLPTRGQHQMOFB-JTHBVZDNSA-N 430.512 4.463 5 20 IIBD CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 573989015 DAUDSUFYCWUXNM-OXQOHEQNSA-N 445.903 4.464 5 20 IIBD Cc1onc(-c2ccncc2)c1-c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 576860819 NWMBVCYKJFVFKJ-UHFFFAOYSA-N 442.229 4.357 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 578089902 LGICVYHUNVTBOE-FQEVSTJZSA-N 436.537 4.358 5 20 IIBD O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)C(C1CCC1)C1CCC1 580368833 JTEBVGSPZCBMDI-UHFFFAOYSA-N 435.527 4.039 5 20 IIBD Cn1ccnc1[C@@H](NCc1ccc(OCc2ccccn2)cc1)c1cccc([N+](=O)[O-])c1 582018888 IYXDABFYXFYAEQ-QHCPKHFHSA-N 429.480 4.182 5 20 IIBD COC(=O)c1cc(NC(=O)NC[C@H](Cc2ccccc2)C(F)(F)F)c(C)c([N+](=O)[O-])c1 583326829 PHWXCTKBOTVVQH-HNNXBMFYSA-N 439.390 4.233 5 20 IIBD Cc1cc(OCc2nc(-c3cccc(C(=O)NCc4ccco4)c3)no2)ccc1[N+](=O)[O-] 589091299 KWWXAIBRAUJABM-UHFFFAOYSA-N 434.408 4.055 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)NCc3ccc(NC(N)=O)cc3)cc2[N+](=O)[O-])cc1 591608662 QYNLTIXBDZWKNT-UHFFFAOYSA-N 436.493 4.475 5 20 IIBD O=[N+]([O-])c1cccc(CNCCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 603633206 OCRGAJFQGARPGB-UHFFFAOYSA-N 436.478 4.306 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@H](C)c3ccc4nc(O)[nH]c4c3)cc2[N+](=O)[O-])C1 603918841 UDWCTBFILNRYNB-QLFBSQMISA-N 437.500 4.150 5 20 IIBD Cc1cccc(Cc2sc(NC(=O)[C@@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)nc2C)c1 608877640 OHERXMUNPSUYFW-OAHLLOKOSA-N 438.509 4.016 5 20 IIBD Cc1ccc(Cc2sc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)nc2C)cc1 608938658 PXRRXTPYKCGUCG-UHFFFAOYSA-N 425.466 4.282 5 20 IIBD C[C@@H](c1cccnc1)N(C)C(=O)c1ccc(C(=O)N(C)[C@H](C)c2cccnc2)c([N+](=O)[O-])c1 609044184 JGTOOJQCAHIEOY-DLBZAZTESA-N 447.495 4.051 5 20 IIBD Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)N3CCc4c3cccc4[N+](=O)[O-])c12 609973270 BENZJOPARTXOGS-UHFFFAOYSA-N 440.463 4.112 5 20 IIBD O=C(Nc1ccc(SCc2ccccc2)cn1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 611087029 JJULROMATKWRNL-UHFFFAOYSA-N 432.465 4.115 5 20 IIBD O=C(NCc1ccccc1Cn1cncn1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611200124 MWWFBGCEKVCWFV-UHFFFAOYSA-N 437.525 4.199 5 20 IIBD O=C(c1cc(N2CCC(OCc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-])N1CCCC1 611257135 YZUXCUFUABDIIV-UHFFFAOYSA-N 427.476 4.156 5 20 IIBD O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1O)c1cn(-c2ccccc2)nc1-c1cccnc1 611484537 FBWFKPLJUZPEJL-UHFFFAOYSA-N 435.827 4.454 5 20 IIBD COc1cc(C(=O)OCc2csc(N(C(C)=O)c3ccc(C)cc3)n2)ccc1[N+](=O)[O-] 725944482 CFZAXDKVELUMQP-UHFFFAOYSA-N 441.465 4.410 5 20 IIBD C[C@H](Oc1ccccc1C(F)(F)F)C(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 727205834 OFWJJFAJFMUQQQ-JTQLQIEISA-N 446.765 4.216 5 20 IIBD Cc1ccc(CN(C)C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)s1 728005277 PIYYDWPPKWWFTB-UHFFFAOYSA-N 446.506 4.005 5 20 IIBD O=C(Nc1ccc(OS(=O)(=O)Cc2ccccc2Cl)cc1)c1cccc([N+](=O)[O-])c1 728059037 VDIBDDQZNRKYBS-UHFFFAOYSA-N 446.868 4.409 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])o1)C(=O)Nc1cccc(CSc2ccccn2)c1 733384831 GFJUTTIBFVUKFO-CYBMUJFWSA-N 427.438 4.059 5 20 IIBD O=C(OCc1csc(-c2ccccc2F)n1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 735356040 SRRMVSCECCAJRZ-UHFFFAOYSA-N 425.397 4.468 5 20 IIBD CN(C)c1cccc([C@@H]2CCCN2c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])c1 735489557 FVSNHIWPXPNQQK-INIZCTEOSA-N 443.447 4.296 5 20 IIBD O=C(NCCc1ccc(Br)cc1F)c1ccc([N+](=O)[O-])cc1Br 739562423 DBHCYIGRFUDMIA-UHFFFAOYSA-N 446.070 4.231 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1OCC1CCOCC1 741202540 HGWQYBOCHHNMTI-UHFFFAOYSA-N 443.456 4.486 5 20 IIBD O=C(CSc1n[nH]c(-c2cc(F)cc(F)c2)n1)Nc1cc([N+](=O)[O-])ccc1Cl 741854830 DUJMNLBSFWNNEC-UHFFFAOYSA-N 425.804 4.042 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(OS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 742314781 RZBPMSQVBKJNMK-UHFFFAOYSA-N 428.850 4.363 5 20 IIBD CC(C)(C)[C@@H]1CCc2c(sc(=O)n2CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 743391728 XMZVEGBZENLXPN-MRXNPFEDSA-N 445.585 4.470 5 20 IIBD COc1ccc(NC(=O)[C@@H](OC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(C)C)cc1 745569692 YWFGBUBFMFMUJX-KRWDZBQOSA-N 440.374 4.442 5 20 IIBD C[C@H](OC(=O)c1cccc(-c2noc(C3CC3)n2)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 745611461 JNMMAILJKRSEQO-LBPRGKRZSA-N 447.407 4.490 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(-c3cnc4ccccc4n3)cc2)c(F)c1 747286879 CTZWALIBPQURTM-UHFFFAOYSA-N 425.397 4.112 5 20 IIBD CCN1CCN(c2ccc(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)cc2)CC1 747628146 YXNXYPRYGJNNJI-UHFFFAOYSA-N 437.525 4.113 5 20 IIBD O=C(NCc1cccc(COCC(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1Br 749918926 HNNSIJBCBWKFCF-UHFFFAOYSA-N 447.207 4.366 5 20 IIBD Cc1nn(CN2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)c2ncc([N+](=O)[O-])cc12 749938425 KVSXCKZNPDYVEG-UHFFFAOYSA-N 435.528 4.399 5 20 IIBD COC(=O)c1occc1CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1ccccn1 751127883 IBCXXZQEUVCPPN-KXKDPZRNSA-N 435.436 4.173 5 20 IIBD CC(=O)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 753427643 BFUFNWYHUAQZCS-LBPRGKRZSA-N 449.257 4.052 5 20 IIBD C[C@@H](OC(=O)/C=C\c1cccc(O)c1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 753463439 HOGWMBVBBNCIRZ-LJTDUEICSA-N 439.449 4.008 5 20 IIBD Cc1c(C(=O)N2CCC(Oc3ccccc3Cl)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 754130082 DYWNZTKXYBAHFW-UHFFFAOYSA-N 433.848 4.457 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)OCc2cc3c(Cl)cccc3[nH]2)cc1OC 754720597 ALIXOABICFIWES-UHFFFAOYSA-N 434.832 4.120 5 20 IIBD COc1cc(C(=O)OCc2cccc(C(C)=O)c2)c([N+](=O)[O-])cc1OCc1cscn1 755108359 ZUCVPCGVBZGZLF-UHFFFAOYSA-N 442.449 4.199 5 20 IIBD CN(C)C(=O)Sc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1 755286212 HAMWZOCHETZESS-UHFFFAOYSA-N 438.303 4.312 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 755837164 MOZIQGJNMHBJDC-YZVOILCLSA-N 429.473 4.172 5 20 IIBD C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 756993689 XIILYRUKWROULW-SECBINFHSA-N 431.645 4.234 5 20 IIBD Cc1ccc([C@@H]2C[C@@H](OC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)CCO2)cc1 757490211 ZZBWJZYCKPVXBR-BZSNNMDCSA-N 444.509 4.033 5 20 IIBD COc1ccc2c(c1)CN(Cn1c(=O)oc3ccc([N+](=O)[O-])cc31)[C@@H](c1ccccc1)C2 759146662 KHHGRWQUNJJWOY-OAQYLSRUSA-N 431.448 4.268 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1Cc2cccc(Br)c2C1 759199176 LFRLAZLWIMXDCK-UHFFFAOYSA-N 426.064 4.276 5 20 IIBD COC(=O)c1ccc([C@@H](OC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(F)(F)F)cc1 759466868 ZJMRERDPWSLFAI-GOSISDBHSA-N 436.342 4.252 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(-c3nccs3)cc2)ccc1Br 760341036 YMHZEUPXEJFUHA-UHFFFAOYSA-N 440.300 4.282 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cnn(-c2ccccc2)c1Br 760373418 RXDOSDOBCSAEIR-UHFFFAOYSA-N 435.665 4.126 5 20 IIBD O=C(CCc1nc(-c2ccsc2)no1)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760468723 DKUDNIDQSHEZSO-UHFFFAOYSA-N 426.410 4.037 5 20 IIBD O=[N+]([O-])c1ccc(Oc2ccc(-c3noc(-c4ccc(N5CCOCC5)nc4)n3)cc2)cc1 761857491 JLUPQFSCIVMPHW-UHFFFAOYSA-N 445.435 4.336 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)NCc1cccnc1 765020880 MVUMRGXZJOHSNZ-LJQANCHMSA-N 432.480 4.127 5 20 IIBD C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 765443229 MSKDKMJDEXDVRT-AWEZNQCLSA-N 434.408 4.246 5 20 IIBD COc1cccc(C(=O)Oc2ccc(OCc3nc(C(C)(C)C)no3)cc2)c1[N+](=O)[O-] 766740150 KIIATARMMXMEML-UHFFFAOYSA-N 427.413 4.082 5 20 IIBD C[C@H](C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(Br)cc1 766993098 BUDNOBQEQZXVHI-NSHDSACASA-N 432.230 4.254 5 20 IIBD CCn1c(SCCCOc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc([N+](=O)[O-])cc1 768410883 DWHOFLHFOJURPK-UHFFFAOYSA-N 429.458 4.343 5 20 IIBD C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1Cc1ccc(Br)c([N+](=O)[O-])c1 770381065 PYHNDIPQXVAENI-TZMCWYRMSA-N 428.327 4.235 5 20 IIBD COc1cc(CNc2ccc(NC(=O)CN3CCCCCCC3)cc2)c([N+](=O)[O-])cc1O 770548461 BIPHOACERBHTNU-UHFFFAOYSA-N 442.516 4.126 5 20 IIBD Cc1sc2nc(CS[C@@H](C)C(=O)Oc3cc(F)cc([N+](=O)[O-])c3)nc(O)c2c1C 771487075 SCGCNLYUJHSIJQ-JTQLQIEISA-N 437.474 4.288 5 20 IIBD Cc1cc(S(=O)(=O)Oc2ccc(N(C)C(=O)OC(C)(C)C)cc2)cc([N+](=O)[O-])c1F 771770063 CGTWDLCWXLYQIS-UHFFFAOYSA-N 440.449 4.181 5 20 IIBD CSc1cccc(C(=O)OCc2cc(=O)c(OCc3ccccc3)co2)c1[N+](=O)[O-] 777326488 UOSNGXTZBOLBAJ-UHFFFAOYSA-N 427.434 4.206 5 20 IIBD CC(C)CC(=O)Nc1ccc(C(=O)O[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)cc1F 778789283 ZUHQWXCXBIZXKJ-GOSISDBHSA-N 429.448 4.154 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 779568876 ABTJCFGOUHWVQK-YYVWFHOOSA-N 446.507 4.070 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CSc2nnc(-c3ccoc3C)n2N)cc1OC 781599355 HLWHTLVMAJEVHD-LBPRGKRZSA-N 447.517 4.194 5 20 IIBD CSc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cccc([N+](=O)[O-])c1Br 781678061 MXQNYIIYEBVRRZ-SNVBAGLBSA-N 439.287 4.263 5 20 IIBD CC(C)(CC(=O)c1ccc(Cl)cc1)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 781751276 VKVMGVUOKNBURG-UHFFFAOYSA-N 433.844 4.457 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC([C@H](O)c2ccc(F)cc2)CC1 782168611 BBRJCFHEUFZTNI-GOSISDBHSA-N 437.265 4.082 5 20 IIBD CCOC(=O)C1(C(=O)Oc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)CCC1 782191233 XGWVXHJCTFFXMX-UHFFFAOYSA-N 437.404 4.007 5 20 IIBD COc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1[N+](=O)[O-] 782562349 HEDVZHBTSSXXPJ-FQEVSTJZSA-N 449.463 4.080 5 20 IIBD Cc1cnccc1C(=O)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 786047393 ZZSFGFZIVQLDSB-LJQANCHMSA-N 425.828 4.488 5 20 IIBD O=C(O[C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1)C1(c2ccc(F)cc2)CCOCC1 787023696 CPSHCKZTIZWIKP-IBGZPJMESA-N 446.450 4.133 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 787664477 BGWXWRCPJCUNSD-UHFFFAOYSA-N 432.476 4.151 5 20 IIBD COc1ccc(OC)c([C@H]2CCCN2C(=O)CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 788462998 ABQCMPYVLPHSQP-HXUWFJFHSA-N 447.919 4.061 5 20 IIBD COc1cc(Cl)c(C(=O)COc2cc(F)c(Br)cc2[N+](=O)[O-])cc1OC 790296388 PBHTTXANLVUQHG-UHFFFAOYSA-N 448.628 4.429 5 20 IIBD COC(=O)c1csc(-c2cccc(CNC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2)n1 791176646 QKSIPOXLFLADNP-UHFFFAOYSA-N 431.857 4.088 5 20 IIBD CN(C)c1cc(F)c(C(=O)NCc2cccc(COCc3ccccc3)c2)cc1[N+](=O)[O-] 791210270 VMAUGQIAFZBOLU-UHFFFAOYSA-N 437.471 4.447 5 20 IIBD Cc1nc2cc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4C(F)(F)F)CC3)ccc2o1 791563899 UIHUOORZGKDLIW-UHFFFAOYSA-N 434.374 4.026 5 20 IIBD C[C@H](OC(=O)[C@@H](C)[C@@H]1OCCc2sccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 796479448 DFMLWSHGJBGXBL-DINDLPBHSA-N 438.889 4.130 5 20 IIBD CC(C)n1c(S)nnc1CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] 799623739 KYYHTJQSWSLBGH-UHFFFAOYSA-N 429.527 4.137 5 20 IIBD CC(C)(C)OC(=O)NCc1nc(COc2ccc([N+](=O)[O-])cc2Cc2ccccc2)no1 799879063 OGNFCZZXOLYNMU-UHFFFAOYSA-N 440.456 4.172 5 20 IIBD CCN(CC(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1Cl 800268933 DLPVPLPJBBCJTQ-AWEZNQCLSA-N 444.875 4.425 5 20 IIBD CC(C)(C)OC(=O)NC[C@]1(C)CCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 802655083 UDODFTYVUSAESV-SFHVURJKSA-N 428.327 4.094 5 20 IIBD CCn1c(-c2ccc(C)o2)nnc1N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 812034823 NKAKNWWUFVAUHJ-UHFFFAOYSA-N 432.278 4.100 5 20 IIBD Cc1noc2nc(C(C)C)cc(C(=O)O[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c12 813365138 FCNIVJJSYOMXCJ-LLVKDONJSA-N 446.847 4.400 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C(=O)Nc1ccccc1OC(F)F 815511137 WZZDADZGLMEWRK-SECBINFHSA-N 448.300 4.399 5 20 IIBD CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 849194444 NISNWMJKWDTUBL-JKSUJKDBSA-N 436.468 4.478 5 20 IIBD CC(=O)Nc1cccc(-n2c(SCc3cc(F)ccc3[N+](=O)[O-])nnc2C2CC2)c1 915795129 VKHDSBMQTHDHML-UHFFFAOYSA-N 427.461 4.443 5 20 IIBD O=C(OCc1nc(-c2cccs2)no1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 917261140 XJBICMZENOVQOZ-UHFFFAOYSA-N 429.332 4.004 5 20 IIBD C[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 917939505 SGZPPYJJMABEPE-MNOVXSKESA-N 426.351 4.200 5 20 IIBD C[C@H](Nc1ccc(N2CCOC2=O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 918197283 JVLWWSXXWAENPD-NSHDSACASA-N 438.362 4.009 5 20 IIBD C[C@H](OC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1)c1cccc([N+](=O)[O-])c1 919351143 FXIYLMLWDIVJSP-ZDUSSCGKSA-N 432.479 4.375 5 20 IIBD CCSc1cc(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)ccn1 919849574 KCGNAMAWLLWZSP-SFHVURJKSA-N 443.525 4.344 5 20 IIBD O=C(Nc1ccc(NS(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])cc1)c1ccc(Cl)cc1 919960257 VYMHJSFBDSTQFZ-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 920147751 JJMWYKALUHKLRM-CQSZACIVSA-N 448.903 4.286 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)C(C)(C)c2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])c1C 1251397742 DHRPTJBBBUAGIJ-UHFFFAOYSA-N 445.324 4.301 5 20 IIBD COc1ccc(-c2cc(NC(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)ccc2OC)cc1 1318348747 PXXHBTPECZCXEX-UHFFFAOYSA-N 445.435 4.112 5 20 IIBD C[C@H](C(=O)Nc1ccc2nc(CN3CCCCC3)[nH]c2c1)c1ccc([N+](=O)[O-])cc1F 1320230118 LXGLBPQFDHWGQR-AWEZNQCLSA-N 425.464 4.338 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CNCc2ccc(N3CCOCC3)nc2)o1 1327213075 MUZMNFLGGXRHPJ-UHFFFAOYSA-N 428.876 4.030 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(Cn3ccc4cc([N+](=O)[O-])ccc43)o2)C1 1341759725 XXOAZHDWWSTRQR-OAHLLOKOSA-N 427.461 4.095 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@@H]3C[C@H]3C3CC3)cc2)CCC1)c1cc(O)cc([N+](=O)[O-])c1 1786057555 VRYGALADFQMOHU-LEWJYISDSA-N 435.480 4.094 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)CCC2)cc1)c1ccsc1 1787287441 ZTWLNOZOXBZPEU-UHFFFAOYSA-N 437.477 4.423 5 20 IIBD CCCC(=O)NC1(c2ccc(NC(=O)c3cc(OC)c(OC)c([N+](=O)[O-])c3)cc2)CCC1 1790813322 WLPPRNKBSGPICA-UHFFFAOYSA-N 441.484 4.160 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)NC2(c3ccc(NC(=O)CCC(C)C)cc3)CCC2)n1 1791256218 HDQTYQPLNIHTBQ-UHFFFAOYSA-N 440.500 4.182 5 20 IIBD Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CC2CCCC2)C3)cc(Cl)cc1[N+](=O)[O-] 1800710169 WTVUCHOBAZVKGJ-BCDXTJNWSA-N 433.936 4.389 5 20 IIBD C[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1)c1cccs1 1822702190 HTFUWEIHYBEDMI-GXTWGEPZSA-N 443.485 4.082 5 20 IIBD CC(C)[C@@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc([N+](=O)[O-])o1)c1ccc(Cl)cc1 1847170588 TUWNDYUBJFPBAR-ABSDTBQOSA-N 445.903 4.096 5 20 IIBD C/C(=C\c1cccs1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1c(F)ccc([N+](=O)[O-])c1C 1847245655 XTLDVIZQQIQIRF-PKMDAXGDSA-N 443.500 4.023 5 20 IIBD O=C(COC(=O)c1csc(-c2ccc(F)cc2)n1)Nc1cc(Cl)ccc1[N+](=O)[O-] 19616792 ZNUGVWQXHQMSAB-UHFFFAOYSA-N 435.820 4.306 5 20 IIBD Cc1cc(=O)c(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)nn1-c1ccccc1[N+](=O)[O-] 21897944 VLBVPVCYNDGQCG-UHFFFAOYSA-N 447.278 4.028 5 20 IIBD Cc1csc(Sc2ccc(C(=O)OCC(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2[N+](=O)[O-])n1 28831656 QTYHCTIIGCELSW-BETUJISGSA-N 449.554 4.172 5 20 IIBD O=C1[C@H](c2ccccc2)N(Cc2ccccc2)C(=O)N1CCOc1ccccc1[N+](=O)[O-] 59017067 GSQCCTYSCUBHGH-QFIPXVFZSA-N 431.448 4.179 5 20 IIBD O=C(CNc1ccccc1Oc1cccc(F)c1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 60458376 QRBNEXIFIKFFJZ-UHFFFAOYSA-N 425.372 4.306 5 20 IIBD O=C(Nc1nc(-c2ccccc2Cl)cs1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 60776533 SONUJFYMTQWKMP-UHFFFAOYSA-N 426.845 4.205 5 20 IIBD COc1cc(C)ccc1Oc1ccc(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)cn1 61576002 NHOHWRXLODQMHU-UHFFFAOYSA-N 437.456 4.333 5 20 IIBD O=C(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)Nc1ccc(Cl)cc1C(F)(F)F 72066297 OZWNZGYXAONVQK-UHFFFAOYSA-N 425.754 4.164 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc(OC2CCCC2)cc1 105791525 XLARTEYRHJGPKA-UHFFFAOYSA-N 425.441 4.243 5 20 IIBD O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H](c2ccccc2Cl)N2CCOCC2)c1 237822805 WQQARXDRABRQHC-SFHVURJKSA-N 441.862 4.013 5 20 IIBD O=C1[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1CCCc1ccccc1 237906792 QPPCXCXSKREFEP-NRFANRHFSA-N 436.537 4.042 5 20 IIBD COc1ccc(-n2c(Sc3ncc(Cl)cc3[N+](=O)[O-])nnc2-c2ccccn2)cc1 301745978 PAABBVMECBNHQB-UHFFFAOYSA-N 440.872 4.446 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)CCNc1c(Br)cncc1[N+](=O)[O-] 301897202 QYJCXSLGCXTJRR-UHFFFAOYSA-N 443.685 4.163 5 20 IIBD O=C(Nc1ccc(Nc2ccccc2)nc1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303455685 GCAPDAOTCMEIFW-INIZCTEOSA-N 437.481 4.038 5 20 IIBD CC(C)n1c(C(F)(F)F)nc2cc(C(=O)NCCNc3ccccc3[N+](=O)[O-])ccc21 303650405 TZHZRWSEPSKHSZ-UHFFFAOYSA-N 435.406 4.386 5 20 IIBD Cc1ccc(Sc2ncccc2C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)c1 303747828 GSFAHIVOYGWGDZ-QGZVFWFLSA-N 449.536 4.479 5 20 IIBD COC[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(F)c(F)c1 426234013 YACLMAXPLAIHRM-MRXNPFEDSA-N 433.333 4.079 5 20 IIBD CCOc1cc(NC(=O)C(=O)Nc2ccc(C)c(OC(C)C)c2)c([N+](=O)[O-])cc1OCC 427850143 IPKHKJRUSLKNSN-UHFFFAOYSA-N 445.472 4.065 5 20 IIBD Cc1cc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)n([C@H]2CCN(Cc3ccccc3)C2)n1 435512521 XUAIGNJWFOCHPG-AVRDEDQJSA-N 448.527 4.429 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CS(=O)(=O)Cc3nc(-c4ccccc4)cs3)co2)cc1 436110038 RTHBVGHBASNRFX-UHFFFAOYSA-N 441.490 4.488 5 20 IIBD O=C(Nc1ccc(CCC(=O)N2CCCC2)cc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 436150410 FJWSPCNXMRBIGC-UHFFFAOYSA-N 439.515 4.489 5 20 IIBD Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)C2)c1 437094057 OXNBHXVGHZVXAT-FQEVSTJZSA-N 435.524 4.255 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)Nc2ccccc2N2CCCC2)cc1[N+](=O)[O-] 438812005 RLBKFTUKLFRVGZ-UHFFFAOYSA-N 440.319 4.067 5 20 IIBD COc1ccc2c(c1)CCN(C(=O)c1ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c1)CC2 438915842 BAMCIMHHNVSYCS-QGZVFWFLSA-N 446.507 4.413 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 439886604 DRBFHQUHXBYSLY-OAHLLOKOSA-N 444.488 4.119 5 20 IIBD COc1cc(CN(C)[C@H]2CCOc3ccc(Br)cc32)c([N+](=O)[O-])cc1F 445889396 ZLUYKJYJMAUPIF-HNNXBMFYSA-N 425.254 4.461 5 20 IIBD Cc1ccc(C)c([C@H](C)N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c1 447023731 PPPNEJVEAWBCOY-ZDUSSCGKSA-N 427.320 4.356 5 20 IIBD O=[N+]([O-])c1ccc(CN(c2nnc(CC3CCCC3)n2C[C@@H]2CCOC2)C2CC2)cc1 461702515 OJEJHUNXANUDDY-IBGZPJMESA-N 425.533 4.125 5 20 IIBD CC(C)Cn1cc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cn1 464372256 BHOWBWDEWZAPKG-UHFFFAOYSA-N 444.495 4.481 5 20 IIBD Cc1c(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)[nH]c2c1C(=O)CC(C)(C)C2 464640089 XTDOWCUGPXYRFL-UHFFFAOYSA-N 425.485 4.070 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 465072206 RROIMYWYNAWQRJ-ZDUSSCGKSA-N 439.493 4.218 5 20 IIBD COc1ccc(CNC[C@@]2(C)CCO[C@@H]2C2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 466452601 QCUQTLUVTPLGPJ-DNQXCXABSA-N 426.513 4.477 5 20 IIBD Cc1ccc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC[C@@H]2CCCO2)c1 466639319 KODSXKWWJMZFNI-YJBOKZPZSA-N 448.903 4.198 5 20 IIBD COCCN1CCC(NC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CC1 466806104 YWIUYJPEIIERHG-UHFFFAOYSA-N 449.960 4.240 5 20 IIBD CCOC(=O)c1cc(N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)ccc1[N+](=O)[O-] 467783856 GSXDMUABIPFVAJ-OAHLLOKOSA-N 440.431 4.345 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2cccc(N3CCC3=O)c2)cc1[N+](=O)[O-])c1ccccn1 468698249 HIGUUPLSPVDFPB-HNNXBMFYSA-N 431.452 4.152 5 20 IIBD CCCOc1cc(NC(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)c([N+](=O)[O-])cc1OCCC 469713720 XBRPFECCXVVECZ-APWZRJJASA-N 445.520 4.484 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](OCc2ccccc2)C1(C)C 471690633 YHMDYFXAWYPJSW-LEWJYISDSA-N 444.553 4.447 5 20 IIBD COc1cccc([C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])c2cc(F)ccc2OC)c1 472947654 DIVANIQDMMLQEL-JOCHJYFZSA-N 439.443 4.340 5 20 IIBD COC(=O)COc1ccc(CN2CCCC[C@H]2c2nc3ccccc3o2)cc1[N+](=O)[O-] 475722738 SYJCEYSQCMMBMK-KRWDZBQOSA-N 425.441 4.015 5 20 IIBD COc1cc(C(=O)NC(C)(C)c2ccc(OC(F)(F)F)cc2)cc([N+](=O)[O-])c1OC 475778880 LNWFQRQPKHCBPV-UHFFFAOYSA-N 428.363 4.176 5 20 IIBD CC[C@@H](C)Sc1ccc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c(C)c1 476762584 DBMUPSRPOAGZRI-CYBMUJFWSA-N 438.527 4.366 5 20 IIBD C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 476903019 HQGRMMVDJFEHOT-JTQLQIEISA-N 447.296 4.055 5 20 IIBD Cc1nc(-c2ccc(CCNC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)s2)cs1 478344787 UHPLNKWXLYADEO-UHFFFAOYSA-N 439.522 4.246 5 20 IIBD C[C@@H]1CCCCN1CCC1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 478606851 FNXHKKADQWMGHA-OAHLLOKOSA-N 438.366 4.474 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 479450937 FQVDNAOLDYRAHF-UHFFFAOYSA-N 427.526 4.263 5 20 IIBD CNS(=O)(=O)c1cccc(CN[C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)c1 481034226 HWMVBFXVNZIQIR-AWEZNQCLSA-N 431.539 4.082 5 20 IIBD Cc1cc(NS(=O)(=O)c2c([N+](=O)[O-])ccc(C)c2C)ccc1NC(=O)c1ccco1 481566822 BGSDQGKIEUZGAI-UHFFFAOYSA-N 429.454 4.166 5 20 IIBD COC(=O)c1cc(OCc2csc(-c3cccc(OC)c3OC)n2)ccc1[N+](=O)[O-] 481945021 RCWJYMAWXUTJPJ-UHFFFAOYSA-N 430.438 4.101 5 20 IIBD CCS[C@H](C)c1noc(CN(C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)n1 483006241 AJAHPAMCXRKXME-SECBINFHSA-N 431.421 4.057 5 20 IIBD CCN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@@H](C)Cc1ccccc1C(F)(F)F 484675047 VDCGZGGDBSTBMJ-AWEZNQCLSA-N 447.417 4.288 5 20 IIBD COc1ccc(Br)cc1CS(=O)(=O)[C@H](C)c1cc([N+](=O)[O-])ccc1C 485236701 YHGLBFVKPPVPOI-GFCCVEGCSA-N 428.304 4.350 5 20 IIBD CC1CCN(C(=O)C2CCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)CC2)CC1 485413091 XJHPSEFOWQUGRA-UHFFFAOYSA-N 426.492 4.271 5 20 IIBD NC(=O)CCOc1ccc(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 486831825 BSWNKSOMFCMIJO-UHFFFAOYSA-N 437.477 4.253 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N(C)C[C@@H](O)COCc3ccccc3)c([N+](=O)[O-])c2)cc1 488302476 DTXBSYIKROENTF-JOCHJYFZSA-N 449.507 4.169 5 20 IIBD O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1 489885902 OOBZFIROULUXKE-INIZCTEOSA-N 440.843 4.344 5 20 IIBD COc1cc(CNc2ccc(C)c(C(=O)NC(C)C)c2)c([N+](=O)[O-])cc1OCC(F)F 491021411 OGKLGWSSMZSWOL-UHFFFAOYSA-N 437.443 4.306 5 20 IIBD Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c1 491492810 JVGABLWDQWFAMU-UHFFFAOYSA-N 445.483 4.219 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] 493282387 SVIUGCVNKFWUPQ-MRXNPFEDSA-N 444.919 4.175 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(N)=O)c(N2CCCCC2)c1 495493493 HMGDJPJTZXCRDR-UHFFFAOYSA-N 428.514 4.048 5 20 IIBD Cc1ccc(Br)c(S(=O)(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 497934884 NTSBWAYWPSGZFR-UHFFFAOYSA-N 425.304 4.019 5 20 IIBD Cn1c([C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c2ccccc2)nc2ccccc21 500030540 CKEACUZGODWTCC-QFIPXVFZSA-N 425.448 4.482 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 501921597 NBYHISAEEVPNPC-UHFFFAOYSA-N 439.468 4.395 5 20 IIBD C[C@@H](c1ccccc1F)N1CCC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1=O 505379733 MWKUOLAETPYKEF-VBKZILBWSA-N 445.466 4.019 5 20 IIBD CCCOc1cc(NC(=O)NC[C@@H]2CCCn3cc(C)nc32)c([N+](=O)[O-])cc1OCCC 506082774 GXZJFAOAXFZLKK-INIZCTEOSA-N 445.520 4.376 5 20 IIBD C[C@H]1CN(Cc2ccc(CNC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)cc2)C[C@@H](C)O1 507311763 HGSFIFFDSZVCSW-KSZLIROESA-N 443.569 4.001 5 20 IIBD CCOc1cc(NC(=O)c2cc(C)n(-c3ccc(F)cc3F)n2)c([N+](=O)[O-])cc1OCC 508152274 UHRZICFTQVMNPX-UHFFFAOYSA-N 446.410 4.417 5 20 IIBD COc1cc(C(=O)Nc2c(-c3ccc(Br)cc3)ncn2C)cc([N+](=O)[O-])c1C 508317538 KXCSWTPEADTPBU-UHFFFAOYSA-N 445.273 4.327 5 20 IIBD COc1ccc(OC)c(-c2csc(NC(=O)CSc3cccc([N+](=O)[O-])c3)n2)c1 509081068 JSYDDLLBFVROPA-UHFFFAOYSA-N 431.495 4.466 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N[C@H]3CCCO[C@@H]3c3cnn(C)c3)c([N+](=O)[O-])c2)cc1 509600687 JVMQFFYEIZDUOV-RBBKRZOGSA-N 435.484 4.221 5 20 IIBD Cc1c(Br)cc(C(=O)N2CC[C@@H](n3ncc4ccccc43)C2)cc1[N+](=O)[O-] 510956760 CKXQHXRWSYUBCC-OAHLLOKOSA-N 429.274 4.103 5 20 IIBD CCN(Cc1ccc(Cl)s1)C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] 514578717 CGULSSHTDUHBKR-UHFFFAOYSA-N 427.910 4.101 5 20 IIBD O=C(NCc1ccccc1OCC(F)(F)F)C1CCN(c2ccccc2[N+](=O)[O-])CC1 515727643 GJUCAXVAXAHLEI-UHFFFAOYSA-N 437.418 4.069 5 20 IIBD O=C(CCN1CCCCC1)Nc1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1 517511696 MRQVZJWZAQROBC-UHFFFAOYSA-N 436.468 4.408 5 20 IIBD COc1ccc(CNC(=O)NCCCOc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 520135147 RTPFNCKIXQBCAO-UHFFFAOYSA-N 428.272 4.179 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCc1ccccc1Oc1ccccc1 521110234 RERQPSKHSRKLIY-UHFFFAOYSA-N 447.447 4.392 5 20 IIBD Cc1nn(-c2ccc(C(=O)N3CCc4c3cccc4[N+](=O)[O-])cc2)c(C)c1Br 523132987 XLVIAMMQMKHYKK-UHFFFAOYSA-N 441.285 4.363 5 20 IIBD Cc1sc2ncnc(SCC(=O)NCCCCc3ccc([N+](=O)[O-])cc3)c2c1C 523532933 HIRWQSILKYITNL-UHFFFAOYSA-N 430.555 4.448 5 20 IIBD CN(C)[C@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 530830886 SUXXIFKZJMJLCF-QGZVFWFLSA-N 445.825 4.222 5 20 IIBD COC(=O)CC1(NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCOCC1 532295912 PJVKIWZSTPLXTA-UHFFFAOYSA-N 434.876 4.242 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 535011025 LUOWQJYODJBTCZ-UHFFFAOYSA-N 429.477 4.197 5 20 IIBD CC(C)C[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)Nc1nccs1 537670785 QAGCEVPJAQEROO-INIZCTEOSA-N 431.543 4.318 5 20 IIBD COCCCOc1ccc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cc1 538253981 QBAOZWVNXPFAJR-UHFFFAOYSA-N 427.482 4.410 5 20 IIBD CN(C(=O)CC[C@@H]1Cc2ccccc2NC1=O)c1nc(-c2ccccc2[N+](=O)[O-])cs1 539354088 LGQBPOIDSJIBNI-OAHLLOKOSA-N 436.493 4.272 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)Cc1c[nH]c2ccccc12 539705252 ANJDBBZUOBOLHM-INIZCTEOSA-N 427.526 4.302 5 20 IIBD CCOc1cc(C(=O)N(C)C)ccc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 543160188 PROFHVBKNLVAAU-UHFFFAOYSA-N 437.905 4.080 5 20 IIBD CC[C@@H](C(=O)N1CCC(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1)c1ccccc1 543550338 BNGIDWALTZXLFR-OXJNMPFZSA-N 441.503 4.138 5 20 IIBD C[C@H](C(=O)N1CCO[C@H](c2cccc(Br)c2)C1)c1ccc([N+](=O)[O-])cc1F 544523138 QOZGMNSWYQERBZ-SGTLLEGYSA-N 437.265 4.200 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccccc2)c(Br)c1 544940986 NJFSHEHJRYLVJY-MRXNPFEDSA-N 425.304 4.273 5 20 IIBD Cc1c(-c2nc(Cc3c[nH]c4ccc(Cl)cc34)no2)nnn1-c1cccc([N+](=O)[O-])c1 546456584 AIDKPKATPAMNSW-UHFFFAOYSA-N 435.831 4.259 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3cccc(Cn4ccnc4)c3)no2)c(Br)c1 546984545 CYFNBHAALRBDGF-UHFFFAOYSA-N 426.230 4.319 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3nc([C@H]4Cc5ccccc54)no3)cc2)c1 546994005 INAZTLWKDJERGJ-FQEVSTJZSA-N 448.460 4.134 5 20 IIBD CC(C)(C)[C@H](CN1CCc2ccccc2C1)NCc1cc([N+](=O)[O-])cc2c1OCOC2 548498437 USDRWLQTYQHNHI-QFIPXVFZSA-N 425.529 4.024 5 20 IIBD Cc1ccc(Cl)cc1N1CC[C@@H](CN[C@@H](c2ccc([N+](=O)[O-])cc2)c2nccn2C)C1 556874232 ZXUBKPKFQOPWRX-JTSKRJEESA-N 439.947 4.496 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCN(c2ccc3ccccc3n2)CC1 563643066 SRDKTORWMLNAQK-UHFFFAOYSA-N 430.386 4.124 5 20 IIBD O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 569387930 JJBYBEFXMKZJEP-KRWDZBQOSA-N 435.358 4.188 5 20 IIBD COc1cc(C)c(Br)cc1NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 573143677 XCUHRDALKNSZCE-UHFFFAOYSA-N 436.262 4.101 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(Cc2nc(-c3ccccc3)n[nH]2)no1 575786135 HFOIRKZKKJDUTG-UHFFFAOYSA-N 441.245 4.092 5 20 IIBD Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)nn1C1CCCCC1 577253040 NJPXVIPPIUYUBH-UHFFFAOYSA-N 432.424 4.425 5 20 IIBD Cc1cccc(C2(NC(=O)C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)CCCC2)c1 581280642 NFHOQLCYFNILIB-UHFFFAOYSA-N 433.411 4.029 5 20 IIBD O=C(Nc1cncc(Cl)c1Br)C1CCN(c2ccccc2[N+](=O)[O-])CC1 581572026 LFBKUIOWJYNWAH-UHFFFAOYSA-N 439.697 4.261 5 20 IIBD Cc1cc(CSc2ncccc2C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)no1 603638652 CMANJXIUWYMNPT-UHFFFAOYSA-N 436.396 4.432 5 20 IIBD CCOc1ccc([C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccccc2)cc1 603720922 DWHLUZZXFGXSJN-JOCHJYFZSA-N 433.464 4.146 5 20 IIBD CCCC(=O)Nc1ccc(CNC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 603761516 HMQLCMUSJYSLRL-UHFFFAOYSA-N 449.511 4.125 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 604103251 DNIZRGRGZJBJBK-UHFFFAOYSA-N 436.443 4.328 5 20 IIBD Cc1cc(C)nc(-n2nc(C)cc2NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)n1 608962746 UHADVTGZFYCXOF-UHFFFAOYSA-N 443.467 4.492 5 20 IIBD Cc1cc(C)cc(N(CC(=O)Nc2ccccc2)C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1 609218617 XSXAFHZWFYDRGI-UHFFFAOYSA-N 447.447 4.226 5 20 IIBD Cc1sc(NC(=O)c2ccc(N3CCOCC3)c(F)c2)nc1-c1cccc([N+](=O)[O-])c1 609298157 ADGCOTSTJCGWCG-UHFFFAOYSA-N 442.472 4.255 5 20 IIBD O=C(CSCc1coc(-c2ccccc2)n1)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 609453482 YEVNAMHCLCATMZ-UHFFFAOYSA-N 435.465 4.307 5 20 IIBD Cc1c(-c2nc(-c3cccnc3Oc3ccccc3)no2)nnn1-c1cccc([N+](=O)[O-])c1 609475324 JZXNSMDYCVBKTH-UHFFFAOYSA-N 441.407 4.388 5 20 IIBD CN(C)C(=O)[C@H]1CCC[C@H](NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 609637059 NBTPSZNUPPDFFM-FPOVZHCZSA-N 447.539 4.184 5 20 IIBD O=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 609646325 AHBPIMGNOYMMMF-INIZCTEOSA-N 434.418 4.197 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSc1nc(-c2ccc(Cl)cc2)n[nH]1 609749882 FVAJIGMFPDNEMP-UHFFFAOYSA-N 431.861 4.124 5 20 IIBD COc1ccc(C(=O)NCC(=O)N[C@@H](c2ccc(Cl)cc2)C2CCCC2)cc1[N+](=O)[O-] 609806195 WAQNNGKUCZGKCA-OAQYLSRUSA-N 445.903 4.034 5 20 IIBD C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 610046886 LZRDXMHHFYYSOI-CYBMUJFWSA-N 439.281 4.403 5 20 IIBD CC1(C)CCCN(C(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 610204760 BEFIPPAOBQYMFF-UHFFFAOYSA-N 431.514 4.048 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCO[C@@H]([C@@H]2CCCO2)C1 610687729 TZQUOWZBUNOSHG-VQTJNVASSA-N 432.860 4.061 5 20 IIBD Cc1ccnc(NC(=O)CN(C)C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 610860216 BCHOYEQAYMFDAU-UHFFFAOYSA-N 436.493 4.160 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CCCN(CC(F)(F)F)CC1 611200325 JDHAWVDXWJTGKA-UHFFFAOYSA-N 431.480 4.340 5 20 IIBD CSc1cccc(C(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)c1[N+](=O)[O-] 614414650 VIUZBGBTJAEGMZ-CYBMUJFWSA-N 425.432 4.344 5 20 IIBD CCOc1cc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)c([N+](=O)[O-])cc1OCC 619212739 JRLKFPGQYRTINC-MRXNPFEDSA-N 441.484 4.001 5 20 IIBD CC(=O)N(c1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1)C1CC1 647485487 JRSRTTDVTFNMEB-UHFFFAOYSA-N 425.488 4.309 5 20 IIBD Cn1ccnc1COc1ccc(COC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1 728730331 MHLIKYFNMRWDRF-UHFFFAOYSA-N 446.257 4.027 5 20 IIBD CCN1CCCC[C@H]1C(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 729305616 UBEUJDJXNUIZRI-IBGZPJMESA-N 431.876 4.280 5 20 IIBD O=C(C[C@@H]1C=CCC1)Nc1ccccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 730435593 IDNASMASQLXXBJ-CYBMUJFWSA-N 435.889 4.344 5 20 IIBD Cc1cc(C(=O)O[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c(C)n1Cc1ccccc1 731503673 AYQGISFHNAUGNK-JOCHJYFZSA-N 433.464 4.024 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)[C@H](C)Sc2cc(Cl)ccc2Cl)ccc1[N+](=O)[O-] 734738074 QPZYDYKQGGGSDS-JTQLQIEISA-N 449.337 4.196 5 20 IIBD O=C(CCSc1ccccc1Cl)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 735334919 WDCFXKBUONHWRT-UHFFFAOYSA-N 436.873 4.272 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Cc1ccccc1OC(F)F 735631194 QLOFPXDUHOGGBH-UHFFFAOYSA-N 446.410 4.226 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 735699458 OZPXNINXWOHWSP-RFAUZJTJSA-N 433.675 4.172 5 20 IIBD O=C(OCCOC1CCCCCC1)c1ccc([N+](=O)[O-])cc1I 740957440 AVXHOKKIFSUNEL-UHFFFAOYSA-N 433.242 4.096 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)Oc2ccc(OCc3nc(C(C)(C)C)no3)cc2)c1 741584318 PPZOJKJIMZLMTJ-UHFFFAOYSA-N 427.413 4.082 5 20 IIBD COc1cc(N(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc(OC)c1OC 741614183 JHIVPSLQYIHMRO-UHFFFAOYSA-N 443.500 4.134 5 20 IIBD CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C 741936721 PXOZKHGDSYOMOG-ZUOKHONESA-N 429.904 4.495 5 20 IIBD Cc1cc(CNC(=O)OC(C)(C)C)ccc1N(C(=O)c1cc([N+](=O)[O-])cn1C)C1CC1 741953174 KOZWTICWZLVVQF-UHFFFAOYSA-N 428.489 4.076 5 20 IIBD Cc1cc(C)cc(C[C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2I)c1 742011431 DCURTYMXNUJEKB-ZDUSSCGKSA-N 438.265 4.177 5 20 IIBD O=C(c1ccc(Cl)cc1)C1CCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 742146219 KRDUBPPQOXSNKY-UHFFFAOYSA-N 425.876 4.059 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 742514093 VHBLZWNWEGHKFI-GOSISDBHSA-N 437.924 4.500 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(=O)NC[C@H](C)c1ccccc1 744554918 YITIQIJFXZODRV-ZWKOTPCHSA-N 439.512 4.050 5 20 IIBD CC(C)CC(=O)Nc1ccc(C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1F 745290522 BRCPEVVBJMRYEZ-UHFFFAOYSA-N 442.403 4.126 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 746864770 HXFINUKIWQFKSG-SANMLTNESA-N 448.567 4.323 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1Cl 747118511 FPXXUTKNHFSCRB-SNVBAGLBSA-N 430.766 4.301 5 20 IIBD C[C@@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccccc1-c1ccccc1 748037772 JYCBOINEBCXRAD-OAHLLOKOSA-N 430.416 4.162 5 20 IIBD CCOc1cc2c(cc1OCC)CN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)CC2 748614459 SVJYLUJAMQVNCV-UHFFFAOYSA-N 443.456 4.116 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1cccc2ccccc12 748726683 WTCBAPHJZWGTES-QGZVFWFLSA-N 447.491 4.382 5 20 IIBD CCO[C@H]1C[C@@H](OC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C1(CC)CC 749095532 VFQQWKKYSFEOBD-DLBZAZTESA-N 434.518 4.015 5 20 IIBD O=C(NC1(c2noc([C@@H]3CCOC3)n2)CCCCCC1)c1cc(Cl)ccc1[N+](=O)[O-] 749165226 HULSLLAHFPIJSE-CYBMUJFWSA-N 434.880 4.115 5 20 IIBD C[C@@H](OC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 752202874 XWANDDGBYAUJCC-LLVKDONJSA-N 449.341 4.453 5 20 IIBD Cc1cc(F)cc(C(=O)OCc2nnc(-c3c(-c4ccccc4)noc3C)o2)c1[N+](=O)[O-] 752559479 XGPKEORKVJVIJR-UHFFFAOYSA-N 438.371 4.413 5 20 IIBD CCc1ccc([C@@H](NCCS(=O)(=O)Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)o1 753634819 UAWNLTXQDQAMQV-QFIPXVFZSA-N 428.510 4.044 5 20 IIBD O=C(NCCc1ccccc1C(F)(F)F)c1cc(F)cc([N+](=O)[O-])c1Br 754636369 PFLUKPQFUQYIGD-UHFFFAOYSA-N 435.171 4.488 5 20 IIBD CN(c1ccccc1)C1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 755031897 YQFUOOIEXUOIAB-UHFFFAOYSA-N 433.306 4.490 5 20 IIBD O=C(N[C@H]1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1)c1cc2ccccc2o1 755582011 GSIQKEQDXSRFHE-HNNXBMFYSA-N 427.844 4.029 5 20 IIBD O=C(COC(=O)c1c[nH]nc1-c1ccccc1Cl)Nc1cc(Cl)ccc1[N+](=O)[O-] 756603804 FQQQPQDBYJFINV-UHFFFAOYSA-N 435.223 4.087 5 20 IIBD C[C@H](c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2Br)c1)N1CCOCC1 758287382 YQKGUWPOIXZTLH-CYBMUJFWSA-N 434.290 4.003 5 20 IIBD C[C@H](OC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc(-c2ccccc2)no1 760103673 SQTMPQKMTPSMBI-NSHDSACASA-N 436.346 4.380 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N2CC3(CCCCC3)C2)cc1 761181713 FINNQEXMTSDZMM-UHFFFAOYSA-N 444.509 4.077 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)c1nc2ccccc2n1C 762559395 NYODPCXQPFCQSC-CYBMUJFWSA-N 443.481 4.055 5 20 IIBD C[C@H](OC(=O)c1ccn(C2CCCC2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 764159267 KOXCIPWLIAHBFC-NSHDSACASA-N 440.378 4.109 5 20 IIBD C[C@@](O)(CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)c1ccco1 764369822 ROYJFCQELQTSQE-OAQYLSRUSA-N 429.860 4.091 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@@H]2c2ccc(F)cc2)ccc1Br 765167692 PALDXHVZRDESNP-OAHLLOKOSA-N 429.267 4.022 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C2)C1 765340534 ICNKTDQJPTYVAS-LJQANCHMSA-N 443.422 4.087 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@H]1c1cc(F)cc(Br)c1 767152951 GJLWEMAJYRWFTC-INIZCTEOSA-N 438.209 4.382 5 20 IIBD O=C(NCC1(Cc2ccc(F)cc2)CC1)c1cc(F)cc([N+](=O)[O-])c1Br 771255742 FNUIWFWDMQRCIC-UHFFFAOYSA-N 425.229 4.388 5 20 IIBD O=C(O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1cnc(Cc2ccccc2F)s1 774175244 FDVYOMMXDULMEK-HZPDHXFCSA-N 430.461 4.318 5 20 IIBD C[C@@H](Nc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1)c1ccc([N+](=O)[O-])cc1 774408727 HXRGIIZFAHSNSD-MRXNPFEDSA-N 431.448 4.443 5 20 IIBD Cc1sc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c(C(N)=O)c1-c1ccccc1 777933108 NKTXGRISRLGBGB-UHFFFAOYSA-N 431.420 4.461 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC([C@@H](O)c2ccc(F)cc2)CC1 778736629 NWYFPNPIXWRILO-FQEVSTJZSA-N 435.883 4.085 5 20 IIBD Cn1ccnc1COc1ccc(COC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 781260810 ZTSRCUDPKRCYGB-UHFFFAOYSA-N 439.471 4.351 5 20 IIBD CCOCN(C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1c(C)cccc1CC 782008232 MXRSZDCAVSJOQZ-UHFFFAOYSA-N 434.876 4.303 5 20 IIBD NC(=O)c1oc2ccccc2c1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 782062403 RAVGZXDMYXRWOB-UHFFFAOYSA-N 431.404 4.271 5 20 IIBD CC1=C(C(=O)Nc2ccc(C)cc2Cl)[C@@H](c2ccc([N+](=O)[O-])s2)NC(=S)N1C 782243677 BGPOKMMJJUIHGE-MRXNPFEDSA-N 436.946 4.392 5 20 IIBD CC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2ccc([N+](=O)[O-])s2)NC(=O)N1C1CC1 782244081 CYQIREUHHCMQSL-KRWDZBQOSA-N 432.889 4.451 5 20 IIBD C[C@@H](OC(=O)c1cnn(-c2ccc(Cl)nn2)c1C(F)(F)F)c1ccccc1[N+](=O)[O-] 783059248 ATFKAMXFMNAXMZ-SECBINFHSA-N 441.753 4.161 5 20 IIBD CC1CCN(c2ccc(C(=O)OCC(=O)Nc3cc(Cl)ccc3F)cc2[N+](=O)[O-])CC1 783194534 PIJVQCPHKOKWAL-UHFFFAOYSA-N 449.866 4.419 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 787603375 DWNIZLUCVRPIMU-UHFFFAOYSA-N 426.351 4.030 5 20 IIBD O=C(O[C@@H](c1ccccc1)c1nc(-c2ccccc2)no1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 787653996 XMCHWAPDAVQHQQ-IBGZPJMESA-N 446.375 4.499 5 20 IIBD O=C(Nc1ccc(-c2ccc(Cl)s2)cn1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 791040768 KEPWWONOIJPUDF-UHFFFAOYSA-N 444.900 4.461 5 20 IIBD CCN(CC)C(=O)c1ccc(NC(=O)COc2cc(Cl)c(Cl)cc2[N+](=O)[O-])cc1 794493432 ABGDASFYDFVAFP-UHFFFAOYSA-N 440.283 4.401 5 20 IIBD Cc1cccc(CC2(O)CCN(c3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 795252734 PXOQDDPDHXZVPD-UHFFFAOYSA-N 439.390 4.404 5 20 IIBD C[C@@H](Oc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 795276143 WNHYFZRYQQWSFU-SNVBAGLBSA-N 443.359 4.078 5 20 IIBD C[C@@H](OC(=O)c1c[nH]c(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 796303947 NSQQGRDVFSPPKD-SSDOTTSWSA-N 439.268 4.145 5 20 IIBD CC(C)(C)C(=O)Nc1ccc(C(=O)COC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc1 796443779 JTJLDFAHCCKDHE-UHFFFAOYSA-N 426.469 4.283 5 20 IIBD CCOC(=O)N1[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2OCC)CC[C@H]1c1ccc(C)o1 798542130 ICABTOHOPOZGSM-IRXDYDNUSA-N 431.445 4.196 5 20 IIBD Cc1sc(Br)c(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])c1C 799543273 KFBSUXWBUOFAHN-UHFFFAOYSA-N 447.694 4.485 5 20 IIBD Cc1cnc(Cl)c(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)c1 800953693 IGNKKWSKKYFBPZ-UHFFFAOYSA-N 431.617 4.117 5 20 IIBD COc1ccc(-c2ccc(C)c(NC(=O)[C@@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)c2)cn1 801088035 BRMIPLAKPOESNM-NRFANRHFSA-N 432.436 4.106 5 20 IIBD COc1cc(OC)cc(C2(F)CCN(C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)CC2)c1 801717602 CNMBVRHSUPUSII-UHFFFAOYSA-N 438.402 4.191 5 20 IIBD Cc1ccc(-c2ncco2)cc1NC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] 802907013 FGZAVEGVQQTRMR-UHFFFAOYSA-N 445.273 4.396 5 20 IIBD O=C(OCc1ccc(OCc2ccccc2)nc1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 802908905 AFMLZPOQYBXKGI-UHFFFAOYSA-N 431.404 4.180 5 20 IIBD CCOc1cc(/C=C\C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)ccc1O 803546582 JNGDBTINAOWKKX-YWEYNIOJSA-N 447.285 4.060 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1N(Cc1ccccc1)C[C@H](O)c1cccc(OC(F)F)c1 808019226 VLUUZVDFHOKGHZ-IBGZPJMESA-N 446.454 4.461 5 20 IIBD Cc1cnc(O)n1-c1ccc(-c2noc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)n2)cc1 809359464 SKFPALYGFWCRGU-UHFFFAOYSA-N 432.440 4.112 5 20 IIBD O=C(OCc1nc(-c2ccc3c(c2)OCO3)no1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811374041 YDYAQKPICMRAQS-UHFFFAOYSA-N 438.179 4.037 5 20 IIBD COc1cc(/C=C\C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)ccc1OCc1c(C)noc1C 819916627 OWCNNMYFVKDMTI-UITAMQMPSA-N 438.440 4.021 5 20 IIBD COc1ccc([N+](=O)[O-])cc1OC(=O)Cn1c(COc2ccccc2)nc2ccccc21 899502464 QLQFUWFRYZLFHU-UHFFFAOYSA-N 433.420 4.138 5 20 IIBD O=C(COC(=O)c1ccc(OCc2ccncc2)cc1)Nc1ccc([N+](=O)[O-])cc1Cl 914614242 WNBJMSXZLSUOHJ-UHFFFAOYSA-N 441.827 4.018 5 20 IIBD Cc1cccc(C)c1OCCC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 914946864 BPAFQYAZNHGQFO-UHFFFAOYSA-N 440.374 4.181 5 20 IIBD COc1ccc([C@@H]2CCCCCN2C(=O)COC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1 918860777 BVGRWYHKHULHBJ-YDBYVANFSA-N 438.480 4.304 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C)COc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] 919830058 FBEXWQKUHKNTFT-SNVBAGLBSA-N 427.335 4.028 5 20 IIBD Cc1ccc(N2C(=O)C[C@@H](C(=O)NCc3cccc([N+](=O)[O-])c3)[C@@H]2c2cccs2)cc1 921288757 SYLSZYZFMHIVCR-DENIHFKCSA-N 435.505 4.375 5 20 IIBD O=C(Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1)c1cnc(C2CC2)[nH]1 1252869251 QIIYYJDYJAKNHH-UHFFFAOYSA-N 426.816 4.320 5 20 IIBD CC(=O)c1ccc(OCC(=O)N2CCc3cc(-c4csc(C)n4)ccc32)c([N+](=O)[O-])c1 1322872453 QQCGKBSMXIWPIV-UHFFFAOYSA-N 437.477 4.197 5 20 IIBD O=[N+]([O-])c1cc2c(cc1-c1nnc(-c3ccc(Br)cc3Cl)o1)OCCO2 1345914655 VXKHFRHIVPSQBV-UHFFFAOYSA-N 438.621 4.499 5 20 IIBD Cc1ccn(C)c1C(=O)NC1(c2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)cc2)CCC1 1785793513 ARNAULSQGLJHSC-UHFFFAOYSA-N 446.507 4.232 5 20 IIBD CC(=O)C[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)CCC1 1790624112 AHGAGLBNLNFESF-CQSZACIVSA-N 441.459 4.097 5 20 IIBD O=C(C1CCC1)N1CCCC2(CCN(C(=O)C3(c4cccc([N+](=O)[O-])c4)CCC3)CC2)C1 1808911829 KFEWJQLIBATRHN-UHFFFAOYSA-N 439.556 4.048 5 20 IIBD C/C=C/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)[nH]n1 1821911027 SHAHIBWPQPHWCL-NKLOFGTRSA-N 437.500 4.075 5 20 IIBD Cc1occc1C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1824274121 AJGCANJECLLFGS-ZEZYUPADSA-N 441.484 4.036 5 20 IIBD C[C@@H]1CCC[C@H]1C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1824276263 FUPHVONXPBSSIC-KWUAJDOLSA-N 443.544 4.257 5 20 IIBD C[C@@H](OC(=O)c1ccc(C2SCCS2)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 9792605 IHRFBPJPCXWWTM-LLVKDONJSA-N 436.486 4.397 5 20 IIBD Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)o1 10015770 AZHTUDZNFWRXIJ-UHFFFAOYSA-N 449.286 4.447 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1ccccc1Cc1ccccc1 10017030 GQYNVRSWIBJECS-UHFFFAOYSA-N 433.464 4.047 5 20 IIBD O=C(OCc1cc2c(cc1Br)OCCO2)c1ccc([N+](=O)[O-])cc1Cl 11028761 KJNBEVYTEFRUMX-UHFFFAOYSA-N 428.622 4.139 5 20 IIBD COc1cc(C2SCCS2)ccc1OS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C 15328790 QOQFGRWVRAOSFZ-UHFFFAOYSA-N 441.552 4.467 5 20 IIBD C[C@@H](OC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1OC(F)F 17048819 VUXPLUJNDFDXKM-VXGBXAGGSA-N 440.424 4.247 5 20 IIBD O=C(NC1CC1)c1cc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nc2ccccc12 17275147 PWBDYLPSOSXCGN-UHFFFAOYSA-N 437.477 4.194 5 20 IIBD C[C@@H](OC(=O)CSc1ncnc2sccc12)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 17714664 BQKBEAKCFDHXIU-SNVBAGLBSA-N 443.466 4.046 5 20 IIBD CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 18831485 ZXMXUIDAUMDEOS-UHFFFAOYSA-N 437.934 4.252 5 20 IIBD Cc1nc(COc2ccccc2C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cs1 19485383 OYSHVEGZQAXQDM-UHFFFAOYSA-N 441.465 4.043 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl 22512016 ZCTDREXXBLCBHJ-NWDGAFQWSA-N 441.267 4.090 5 20 IIBD C[C@H](CNC(=O)[C@@H](C)OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 23204584 FWUROIDXUFAPCJ-RTBURBONSA-N 442.515 4.006 5 20 IIBD COc1ccccc1Oc1ccc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 28781544 OKABVHQGMXGCKS-UHFFFAOYSA-N 430.438 4.205 5 20 IIBD CN(c1ccccc1C(=O)Nc1ccccc1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-] 57723022 ZNYWWJJFWRUQEU-UHFFFAOYSA-N 445.884 4.326 5 20 IIBD CCOC(=O)c1c(C2CC2)csc1NC(=O)c1cc(OCC)c(OC)cc1[N+](=O)[O-] 61202935 HZILGDOPJCHILT-UHFFFAOYSA-N 434.470 4.370 5 20 IIBD Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 65820886 MQVNKNCVEWJVBN-UHFFFAOYSA-N 425.533 4.098 5 20 IIBD O=c1c2sc(-c3ccccc3)cc2ncn1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 71875278 OEEUGUBHLRQTAF-UHFFFAOYSA-N 431.433 4.132 5 20 IIBD CCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 104683972 KJBZGDQTORGMIE-GFCCVEGCSA-N 439.390 4.159 5 20 IIBD Cc1c(C(=O)N[C@H](C)CCc2ccc(OC(C)C)cc2)nnn1-c1cccc([N+](=O)[O-])c1 108344050 NGWOLXFKEISTFI-MRXNPFEDSA-N 437.500 4.022 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 110464478 AMLZHCKSUYZJSX-UHFFFAOYSA-N 443.428 4.216 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)c1 210201054 UQBGPEZULQNRBT-UHFFFAOYSA-N 429.420 4.405 5 20 IIBD O=C1[C@@H](Nc2ncc(Cl)cc2[N+](=O)[O-])CCCN1Cc1cccc(C(F)(F)F)c1 302058516 RDVMNCYHMMBLGD-AWEZNQCLSA-N 428.798 4.265 5 20 IIBD CCn1c([C@H]2CCCN2C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)nc2ccccc21 303122166 NJQJCKFBEAEXQD-OAQYLSRUSA-N 430.468 4.127 5 20 IIBD C[C@@H](NC1(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCCC1)c1ccccc1 303326167 BRZPGSOHXXZQCS-GOSISDBHSA-N 433.512 4.174 5 20 IIBD O=C(Nc1cc(Cl)c(F)c(Cl)c1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 426182700 GUQXUTBNXANVPT-UHFFFAOYSA-N 426.231 4.170 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)Cc2ccc(OC)c(O)c2)cc1 427233942 HYIWRQJJGFMSHH-UHFFFAOYSA-N 438.436 4.382 5 20 IIBD C[C@H]1CCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCS1 427919305 ZFZRBUGZNVNYQA-ZDUSSCGKSA-N 431.480 4.184 5 20 IIBD CC(C)c1ccc(CN(C)[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1[N+](=O)[O-] 428477902 FSKUUMNDOATKTF-KRWDZBQOSA-N 431.558 4.451 5 20 IIBD CCN(CC(C)(C)C)C(=O)c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 428667966 XTEDMPZABVTGEW-UHFFFAOYSA-N 433.530 4.212 5 20 IIBD CCn1c(SCC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)nnc1-c1cccc(C)c1 430564751 MSYJXKFLHNOKHA-UHFFFAOYSA-N 439.541 4.325 5 20 IIBD COc1ccccc1[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccco1 431112767 CYEZUVMKRBUUEF-SFHVURJKSA-N 431.242 4.478 5 20 IIBD C[C@@H](NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1noc(-c2ccc(Cl)cc2)n1 431516996 HFXICOQUQXNUAD-SNVBAGLBSA-N 439.815 4.043 5 20 IIBD Cc1cc(S(=O)(=O)Nc2nnc([C@H]3CCCc4ccccc43)s2)ccc1[N+](=O)[O-] 432530662 KMSNGWSTLUHCLH-INIZCTEOSA-N 430.511 4.024 5 20 IIBD C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CC[S@](=O)C1 432617091 LRRUHXUUIHKWTF-OIJAAMDRSA-N 438.958 4.240 5 20 IIBD CC(=O)Nc1ccc2nc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)sc2c1 432911716 KHLGNKVDVSESMZ-UHFFFAOYSA-N 435.259 4.178 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 432991845 LPURWIRQHDOJCT-UHFFFAOYSA-N 445.304 4.413 5 20 IIBD CCCCS(=O)(=O)c1ccc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 433868510 NFUUQTBNLRUFCY-HXUWFJFHSA-N 434.539 4.056 5 20 IIBD Cc1ccc([C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H](C)S(C)(=O)=O)cc1 437839267 MGSNFLCUQIBCMX-BFUOFWGJSA-N 432.523 4.022 5 20 IIBD CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@H]2CCCC[C@@H]21 439985355 ULINYOCVTWCZNR-OMZCGLGVSA-N 444.576 4.026 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2Br)c(Cl)c1 442857729 UHTCKVBHGUCCLP-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD CCCc1noc2nc(CC)cc(C(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCCO4)c12 443467314 QYIPTOFPJZEQML-UHFFFAOYSA-N 426.429 4.060 5 20 IIBD O=C(Nc1ccc(F)c(Cl)c1)C1CCN(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 444659746 DYTFHQRFSYYPQG-UHFFFAOYSA-N 431.855 4.114 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nnc(Cc3cccc4ccccc34)o2)c1C 446774938 IJFNEJLMJQSOKF-UHFFFAOYSA-N 438.465 4.139 5 20 IIBD CN(Cc1csc2ccccc12)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 447029587 RCHQVSDIMHYNFU-UHFFFAOYSA-N 441.328 4.393 5 20 IIBD COCCOC[C@@H](C)NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 460243282 HBXOKEOUNPZYDM-CYBMUJFWSA-N 447.538 4.137 5 20 IIBD C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1nc(-c2ccccc2)cs1 464413903 FQLCJJPMGQZDGI-CYBMUJFWSA-N 440.506 4.306 5 20 IIBD O=C(CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Nc1cccc(Br)c1 464784250 VZMJBJITCHUSSU-UHFFFAOYSA-N 448.317 4.229 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2nc3c(C)c(F)ccc3s2)ccc1[N+](=O)[O-] 465252523 ATUILBYFYNBUGZ-INIZCTEOSA-N 442.472 4.204 5 20 IIBD CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)O[C@H](C)C2 466287322 MMUFGBUGPPHNAU-PUECVXPYSA-N 430.888 4.390 5 20 IIBD O=C(NCc1ncnn1-c1ccccc1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 467924043 FYZOLBYWXKHHHT-UHFFFAOYSA-N 431.477 4.257 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1CCC[C@@H](OCCO)C1 467926558 IRVDSCFOLOTOAF-MRXNPFEDSA-N 436.917 4.013 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCCC[C@@H]1/C=C/c1ccccc1 469363911 QGUWBRFAXLWDGA-IENJSVCTSA-N 444.509 4.028 5 20 IIBD CC1CCN(c2ccc(C(=O)N3C[C@H](C)O[C@H](c4ccsc4)C3)cc2[N+](=O)[O-])CC1 470742407 BSTVCILXDBMSQS-KKSFZXQISA-N 429.542 4.495 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(NC(=O)CCN2CCCCC2)cc1 470880374 OVYGZMPLNXQHRV-UHFFFAOYSA-N 440.500 4.060 5 20 IIBD COC(=O)c1nc([C@H]2CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)sc1C 471329116 OBUVVFJWPMCYGT-CYBMUJFWSA-N 431.495 4.338 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCOc2ccc(C(F)(F)F)cc21 472905912 JCMRTKGZECJFFK-UHFFFAOYSA-N 435.402 4.256 5 20 IIBD Cc1cc(NC(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)ccc1[N+](=O)[O-] 473771198 BPBFNSQYKDFSHR-UHFFFAOYSA-N 437.283 4.200 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1cc(Br)c2c(c1)OCCO2 475567319 LBDYOQNIEYZSAP-UHFFFAOYSA-N 436.262 4.067 5 20 IIBD CCc1cccc(CC)c1-n1c(SCc2c([N+](=O)[O-])ncn2C)nnc1-c1cccnc1 476486305 QISUCFHSGQFFDA-UHFFFAOYSA-N 449.540 4.388 5 20 IIBD Cn1cnc([N+](=O)[O-])c1CSc1nc2ccccc2c(=O)n1CCC1=CCCCC1 476519825 YOVPOZVCYHZWLY-UHFFFAOYSA-N 425.514 4.221 5 20 IIBD COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc([N+](=O)[O-])c1C 478207318 ISDAOMYTDPVONM-UHFFFAOYSA-N 439.390 4.020 5 20 IIBD Cc1ccnc([C@H](NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C2CC2)n1 478486698 LMBXMCDNTOFRRN-YCRPNKLZSA-N 432.484 4.142 5 20 IIBD O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 478781129 CSJMLBMNBCLQGA-UHFFFAOYSA-N 444.835 4.344 5 20 IIBD Cc1c(CNC(=O)N[C@H](Cc2ccc(O)cc2)c2nc3ccccc3[nH]2)cccc1[N+](=O)[O-] 478933414 WJBZVVSGAMWHOF-OAQYLSRUSA-N 445.479 4.268 5 20 IIBD Cn1cc([C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c2ccc(F)cc2)cn1 479614246 HDAWDUPFMBOHCK-LJQANCHMSA-N 437.456 4.110 5 20 IIBD O=C1NC2(CCCC2)C(=O)N1CCCCNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 479875362 LSIAUMXGKRJEBY-UHFFFAOYSA-N 442.541 4.058 5 20 IIBD CCOc1ccc(-n2c(SCc3ccccc3[N+](=O)[O-])nnc2-c2cnccn2)cc1 481372230 NFWIDLXHMRFCLJ-UHFFFAOYSA-N 434.481 4.324 5 20 IIBD COc1cc(C(=O)NCc2ccccc2N2CCCCC2)c([N+](=O)[O-])cc1OC(F)F 482961556 ICUMEQGGVRSBCB-UHFFFAOYSA-N 435.427 4.125 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCNc1ccc(C(F)(F)F)cn1 484429237 XWIWWKRLBZGKHO-UHFFFAOYSA-N 428.436 4.353 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3nnc(CC(F)(F)F)s3)cc2[N+](=O)[O-])CC1 484963095 JFJIWVLXXIVZFN-UHFFFAOYSA-N 429.424 4.040 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 487454478 JCBGMADDBIBEDE-GFCCVEGCSA-N 428.436 4.154 5 20 IIBD CCOc1cc(CN[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)ccc1[N+](=O)[O-] 492566334 YSKMTXBNCOMVBV-QHCPKHFHSA-N 440.521 4.276 5 20 IIBD CCN1CCN(c2ccc(N[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c(C)c2)CC1 493981050 AMRIBVPQAKSJKR-QGZVFWFLSA-N 436.516 4.268 5 20 IIBD CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)CC2 494249199 YOBLBGPOGYPWQH-QZTJIDSGSA-N 427.526 4.188 5 20 IIBD Cn1ccnc1[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C1 496616302 WATUXOCXHOMCSD-MRXNPFEDSA-N 439.903 4.224 5 20 IIBD CN(C)CCOc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)ccn1 497695547 DWXJLIDKKIYTJE-UHFFFAOYSA-N 438.509 4.334 5 20 IIBD CC[C@@H](C)Sc1ccc(NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)c(C)c1 498627364 PPRWCFOMYSVDGN-OAHLLOKOSA-N 430.530 4.232 5 20 IIBD CCOc1cc(Cl)ccc1CNC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] 501113611 BMEFBKIFWHLUQU-UHFFFAOYSA-N 430.791 4.187 5 20 IIBD O=C(NCc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1)c1ccc(Br)cc1 502466587 XHTPZKACUDCWMX-UHFFFAOYSA-N 444.241 4.133 5 20 IIBD O=C(NCc1ccccc1)c1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 509098695 MMTMDPCCJVODRH-UHFFFAOYSA-N 444.491 4.377 5 20 IIBD CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CCCc2c1cccc2[N+](=O)[O-] 513842424 HSPREYDSYSRRKB-OAHLLOKOSA-N 448.566 4.239 5 20 IIBD O=C(NCc1ccccc1Cn1ccnc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 514818021 MVUDFLQXZQXXGD-UHFFFAOYSA-N 442.475 4.349 5 20 IIBD Cc1[nH]nc(C(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2F)c1[N+](=O)[O-] 517818166 YHTCPFZEMLBWAT-HNNXBMFYSA-N 433.237 4.047 5 20 IIBD Cn1cnnc1Sc1ccc(-c2nc(-c3ccnc(C(F)(F)F)c3)no2)cc1[N+](=O)[O-] 519534343 XCUFFNSVPLHXAE-UHFFFAOYSA-N 449.374 4.005 5 20 IIBD Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1Br 522597022 SZLNGKCHJXYHJM-GOSISDBHSA-N 446.301 4.217 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC(=O)N(C)c4ccccc43)cc2[N+](=O)[O-])C1 523099737 HJNJEVUROVGWPK-IRXDYDNUSA-N 436.512 4.090 5 20 IIBD CC(C)c1nc(CCNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cs1 523260874 VYTWRJCCJJQJAW-UHFFFAOYSA-N 430.452 4.354 5 20 IIBD COc1ccc(CC[C@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])ccc2OC)cc1OC 523566282 YUCDMTLLTSYHLH-QGZVFWFLSA-N 428.485 4.248 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ncc(-c3ccccc3)s2)ccc1[N+](=O)[O-] 523946777 QGZDUSHPLZJZRQ-GOSISDBHSA-N 436.493 4.270 5 20 IIBD CC(=O)c1ccc(NC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cc1C 534045466 YDEXZBLDNBJCFI-LJQANCHMSA-N 427.457 4.310 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCC[C@@H]1[C@H](O)C(F)(F)F 535443089 QYLUSQLXLDLCLI-WBVHZDCISA-N 426.416 4.274 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(=O)n(Cc2ccccc2Cl)c1 536159582 CZCOOJVLOHLIIL-UHFFFAOYSA-N 436.855 4.121 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2ncco2)c1 536502758 SGYBALBMNFJXLR-UHFFFAOYSA-N 427.438 4.157 5 20 IIBD Cc1sc(NC(=O)[C@H]2CCCN(CC(F)(F)F)C2)nc1-c1cccc([N+](=O)[O-])c1 538810593 UXIYZTBLDQKGLA-ZDUSSCGKSA-N 428.436 4.240 5 20 IIBD COc1cc([C@@H](C)NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc(OC)c1OC 541294065 CUBLHZWBMGOADJ-LLVKDONJSA-N 440.905 4.244 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3F)cc2)cc1 542710721 ZLIDQVDJDRCKAQ-UHFFFAOYSA-N 444.444 4.487 5 20 IIBD CCc1nc2ccccc2n1C1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)CC1 543682631 OXFUCCLLRUTMHY-UHFFFAOYSA-N 442.541 4.150 5 20 IIBD COc1cccc(/C=C\c2nc(CCNc3ccccc3[N+](=O)[O-])no2)c1OC(F)F 544558105 JVBGVXOIGFBXNN-KTKRTIGZSA-N 432.383 4.413 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(C)c1I 545250987 BMHRPUIMCQGGNR-UHFFFAOYSA-N 426.210 4.159 5 20 IIBD COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F 547232968 FKERZYDUNYLYTH-UHFFFAOYSA-N 445.491 4.274 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1 550264944 SFIHXYJFFIJFCV-CYBMUJFWSA-N 444.289 4.080 5 20 IIBD O=c1c2cc([N+](=O)[O-])ccc2ncn1Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 553825948 KIOUCGQDXFIJBJ-UHFFFAOYSA-N 432.383 4.495 5 20 IIBD CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)c1c[nH]nc1[N+](=O)[O-] 554835610 VMRVZBGAKZBWSJ-UHFFFAOYSA-N 436.859 4.096 5 20 IIBD COc1cnc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)s1 559317097 MGLVUPNOGCVJTR-UHFFFAOYSA-N 435.465 4.094 5 20 IIBD CC(C)(NC(=O)c1ccc([N+](=O)[O-])cc1I)c1ccccc1F 561708220 JGRUJWWXJFGOGI-UHFFFAOYSA-N 428.201 4.004 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCCc1nnc(SC)n1C1CCCC1 562109584 KSOHRIHPHLBHFM-UHFFFAOYSA-N 432.550 4.340 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1[N+](=O)[O-] 572653829 SFUGHJDPVQHQAV-WOJBJXKFSA-N 443.475 4.006 5 20 IIBD C[C@@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 572906119 XYMSCNGFWPHTAR-JTQLQIEISA-N 440.681 4.169 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](COc1ccccc1)c1ccccc1 583054174 HHKIWFXSCKUHTR-QFIPXVFZSA-N 433.464 4.032 5 20 IIBD O=c1c(Cl)c(N2CC[C@@H](Oc3ccc(Cl)cc3)C2)cnn1-c1ccc([N+](=O)[O-])cc1 584398566 YSDACHDBZVXHQP-QGZVFWFLSA-N 447.278 4.105 5 20 IIBD O=[N+]([O-])c1ccc(CN(c2nnc(CCc3ccccc3)n2C[C@@H]2CCOC2)C2CC2)cc1 589672296 KITGGYYPGKBJJL-NRFANRHFSA-N 447.539 4.177 5 20 IIBD CCOc1ccc(CC(=O)N(CCOC)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 603461091 NYHZQVSZJFHPPU-UHFFFAOYSA-N 441.509 4.339 5 20 IIBD COc1cc(CCNC(=O)N[C@H](C)c2ccccc2OC(C)C)c([N+](=O)[O-])cc1OC 603692176 XXWDBCZZYLYIPZ-OAHLLOKOSA-N 431.489 4.002 5 20 IIBD Cc1c(NC(=O)CCN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] 604276308 IVAYUUIOLMMKNX-TXEJJXNPSA-N 427.345 4.295 5 20 IIBD O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 608800754 FGCNCOVRWZBEIJ-INIZCTEOSA-N 426.860 4.247 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1cccc(OCc2cscn2)c1 608908979 HVDDBZBNNZZAKX-UHFFFAOYSA-N 425.875 4.085 5 20 IIBD Cc1sc(NC(=O)C[C@H](C)NC(=O)C2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 608939809 OHKKNBJDTSHWHI-ZDUSSCGKSA-N 430.530 4.440 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCCc3nc(C(C)(C)C)cs3)cc2)c(C)c1[N+](=O)[O-] 609189800 BFSPRVHTWQOREE-UHFFFAOYSA-N 441.557 4.183 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NCC1(c2ccc(F)cc2)CCCCC1 609392078 PADHFDSZFGQGBB-UHFFFAOYSA-N 447.894 4.135 5 20 IIBD C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 609509263 MLXQVAWARRNSGE-AOMKIAJQSA-N 443.931 4.453 5 20 IIBD Cc1cccnc1[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)C(C)C 609645312 CWXOXFHCKAFNKM-OAHLLOKOSA-N 439.253 4.030 5 20 IIBD NC(=O)c1cn(CC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c2ccccc12 609755118 FSVONJQYYYSEFS-UHFFFAOYSA-N 430.420 4.079 5 20 IIBD CS(=O)(=O)Nc1cc(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)ccc1F 609762363 DQZHOJZCIIDNQW-UHFFFAOYSA-N 445.428 4.150 5 20 IIBD O=c1c2cnn(-c3ccccc3[N+](=O)[O-])c2ncn1CCCc1cccc2ccccc12 609852004 BQFREWLPWXCNDX-UHFFFAOYSA-N 425.448 4.276 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1OCc1cccc(Cl)c1 609943007 YUZCSXHZJZWAQS-UHFFFAOYSA-N 439.855 4.082 5 20 IIBD O=C(N[C@@H](CN1CCCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1Br 610063118 CMQYCHVPBSWORK-IBGZPJMESA-N 432.318 4.314 5 20 IIBD CCOc1cc(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)c([N+](=O)[O-])cc1OC 610178773 WYAOWKLWZBTPHX-CQSZACIVSA-N 433.892 4.054 5 20 IIBD Cc1cc([C@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])c2ccccc2Cl)ccc1F 610265396 ILKIZIYTQQVWGN-SFHVURJKSA-N 435.864 4.159 5 20 IIBD CC[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1)c1cccc([N+](=O)[O-])c1 610556069 BTHZMUZBBWBLAU-RTWAWAEBSA-N 433.464 4.022 5 20 IIBD Cc1ccc(Cn2cccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)c2=O)cc1 611087186 XDXFNKWOYNQWLD-UHFFFAOYSA-N 442.269 4.128 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)N1CCC2(CCOC2)CC1 611178412 WECOUMPALFJWIP-HXUWFJFHSA-N 429.904 4.431 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 611529846 MDQKKUPPYHNKLI-OAQYLSRUSA-N 445.479 4.092 5 20 IIBD Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)n(-c2cccc(Cl)c2)n1 613342142 NXOMVBVRCGIOBF-UHFFFAOYSA-N 443.872 4.091 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1ccc(Cl)c2ncccc12 615147971 SEFMRHGVQKCNTO-UHFFFAOYSA-N 426.860 4.172 5 20 IIBD Cc1nc2ccnn2c(C)c1CCC(=O)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 728165338 HCXBKHCHZFKNPJ-UHFFFAOYSA-N 427.892 4.284 5 20 IIBD C[C@@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(OCc2ccc(F)cc2)cc1 728589043 IQKVYFUNARIWSH-CQSZACIVSA-N 448.447 4.492 5 20 IIBD O=C(COC(=O)C[C@H](c1ccccc1)C(F)(F)F)Nc1ccc(Cl)c([N+](=O)[O-])c1 728652888 GYLIUONXUUSMLT-CYBMUJFWSA-N 430.766 4.466 5 20 IIBD C[C@H](OC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 730744965 TXIRFMAYKOANML-INIZCTEOSA-N 425.462 4.487 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CN3CCC([C@H](O)c4ccc(Cl)cc4)CC3)n2)c1 731482043 LEDGUGHIDXGCCQ-HXUWFJFHSA-N 428.876 4.244 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1 731615048 GOYYEEWRJISJGM-UHFFFAOYSA-N 441.465 4.174 5 20 IIBD CSc1ccc(C(=O)O[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)cc1[N+](=O)[O-] 733378242 LXZLUUSYKVVVEQ-HNNXBMFYSA-N 440.399 4.298 5 20 IIBD O=C(CCc1ccc(Cl)c(Cl)c1)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 735349769 RFDFBCHEIRAZHF-UHFFFAOYSA-N 439.251 4.376 5 20 IIBD O=C(Nc1ccc(OC2CCCC2)c(F)c1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 742022977 GYAKCNYXONHCTH-CYBMUJFWSA-N 445.422 4.186 5 20 IIBD COc1c([N+](=O)[O-])cc(NC[C@H](OC)c2ccccc2)c([N+](=O)[O-])c1Br 742391640 ALBLVZPMSWJVKJ-ZDUSSCGKSA-N 426.223 4.074 5 20 IIBD O=C(Nc1nc2ccc(Br)cc2[nH]1)c1cc([N+](=O)[O-])ccc1Br 744377977 CNODAKPDRLUVBD-UHFFFAOYSA-N 440.051 4.248 5 20 IIBD C[C@@H](OC(=O)c1ccccc1NC(=O)c1ccsc1)C(=O)Nc1ccccc1[N+](=O)[O-] 744616014 FCOXAJPJQLLSIU-CYBMUJFWSA-N 439.449 4.093 5 20 IIBD Cc1cc(C[C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)n(-c2ccccc2)n1 746294742 USJDWUBUBRERPA-KRWDZBQOSA-N 433.512 4.050 5 20 IIBD COc1ccc(C(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(OC)c1 747118236 CRNFSQFJAPEWIJ-SNVBAGLBSA-N 427.331 4.059 5 20 IIBD Cc1c(C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748618037 QAESCQWGZAETSM-UHFFFAOYSA-N 426.351 4.457 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1NC(=O)c1ccncc1 748633516 PAXFGQMMAIIWJS-UHFFFAOYSA-N 449.423 4.328 5 20 IIBD CCC[C@H](NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)c1ccccc1 748953019 ZSXIHSOPNCCXDX-QAPCUYQASA-N 443.456 4.323 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 749501655 HDBKXCPFRDZJMX-JSNMRZPZSA-N 426.448 4.433 5 20 IIBD CCOc1cc2c(cc1CNC(=O)c1cc([N+](=O)[O-])ccc1Br)O[C@@H](C)C2 751060855 IFXREYAUEVWCKC-NSHDSACASA-N 435.274 4.009 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1occc1Br 751216417 HXHSJHBHDCDKOR-UHFFFAOYSA-N 435.234 4.051 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCO[C@]3(CCc4ccccc43)C2)CC1 753753052 AVBFSIAYMIDAQU-RUZDIDTESA-N 435.524 4.145 5 20 IIBD C[C@@H](C(=O)Nc1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2)c1ccc([N+](=O)[O-])cc1F 754418388 AZALOSNJYOYQJA-CYBMUJFWSA-N 444.463 4.164 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Oc1ccccc1OCC(F)(F)F 755281288 HZSVHAVMZTYSLT-UHFFFAOYSA-N 434.164 4.447 5 20 IIBD COc1cccc(COc2cccc(NS(=O)(=O)c3cccc(F)c3[N+](=O)[O-])c2C)c1 755415313 HMEWCOPFXKGOBG-UHFFFAOYSA-N 446.456 4.431 5 20 IIBD C[C@@H](OC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C(=O)Nc1nc(-c2ccccc2)cs1 756765541 IOEZXMHMIXVQFY-GFCCVEGCSA-N 436.449 4.384 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCC(=O)c2cc(C)c(F)cc2Cl)cc1SC 761145159 AOSDZJRXXFKBLK-UHFFFAOYSA-N 427.837 4.466 5 20 IIBD Cc1c(C(=O)Nc2cc(Br)cc(Cl)c2O)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 762329199 UUASXOFOWBJXEN-UHFFFAOYSA-N 444.625 4.494 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC(=O)N(CC)c1nc2ccccc2s1 765531985 UKNRJBRSWZZNCB-INIZCTEOSA-N 441.509 4.370 5 20 IIBD O=C1c2ccccc2N[C@@H](c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N1c1ccc2c(c1)OCO2 765982005 MOCJGISJKYUUPO-HXUWFJFHSA-N 434.364 4.003 5 20 IIBD C[C@H]1CCCN(c2ccccc2OS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 766497723 WBOJTZPLSCRTSO-HNNXBMFYSA-N 427.482 4.147 5 20 IIBD Cc1c(-c2cc(COC(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)on2)cnn1C 767438038 MNJWQHVHSZQEQB-UHFFFAOYSA-N 433.424 4.392 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1sc(Br)cc1[N+](=O)[O-] 773606206 QYLJHXRBWVUNGE-LLVKDONJSA-N 445.678 4.035 5 20 IIBD CC(C)(C)OC(=O)N1CCc2ncc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2C1 774247295 WZCNJUPMYZVNCU-UHFFFAOYSA-N 432.864 4.189 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1Oc1cc(Cl)cnc1Br 774716966 UQJGXTNCDLTGTD-UHFFFAOYSA-N 443.609 4.194 5 20 IIBD Cc1ccc([C@@H](C)NCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1[N+](=O)[O-] 775547937 GJTYKMGFXKMFIK-CYBMUJFWSA-N 441.469 4.224 5 20 IIBD O=C(CCc1nc(-c2cccs2)no1)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776139483 VULIAGIVCVKMNS-HXUWFJFHSA-N 436.449 4.367 5 20 IIBD Cc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1[N+](=O)[O-] 777748912 KSOXSGMTCXKDPH-JTQLQIEISA-N 441.318 4.014 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc(Cl)n1 778563333 TVIFZDDSSUHGHP-VIFPVBQESA-N 431.754 4.154 5 20 IIBD COc1ccc(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cc1OC1CCCC1 781601493 KOHACGCXWJJCTH-NRFANRHFSA-N 425.441 4.057 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCC(CCCn2ccnc2)CC1 783645030 LJNIMXUQLOVPQA-UHFFFAOYSA-N 425.533 4.114 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1ccc(N2CCSCC2)cc1 785827500 NSLXSUDANUKIEB-UHFFFAOYSA-N 440.447 4.489 5 20 IIBD CN(C)c1cc(F)c(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1[N+](=O)[O-] 791196417 CDUVNMNGINRFIF-UHFFFAOYSA-N 425.445 4.428 5 20 IIBD Cc1c(C(=O)Nc2cccc(CCC(=O)OC(C)(C)C)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 791887879 HLUOQQPSHVBLFN-UHFFFAOYSA-N 429.429 4.338 5 20 IIBD O=C(CN1CCc2c(Br)ccc([N+](=O)[O-])c2C1)Nc1ccc(F)cc1Cl 792896332 FWKMFVDRVBRRRV-UHFFFAOYSA-N 442.672 4.147 5 20 IIBD COc1c(C(=O)O[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-] 796310767 GIVJCCHVMDZYHX-MNOVXSKESA-N 441.267 4.333 5 20 IIBD CC(C)(C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1csc(-c2cccs2)n1 800292018 JLVLTJMSEOPALV-UHFFFAOYSA-N 449.485 4.378 5 20 IIBD CC[C@@](O)(C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc(Cl)c1 800320630 GCOHHPFFWAGKHG-WLRWDXFRSA-N 441.267 4.070 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](c2nc3ccccc3o2)C1 802422078 JWZISEMNFFJDFP-QGZVFWFLSA-N 448.483 4.025 5 20 IIBD C[C@@H](OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(SCC(=O)N(C)C)cc1 809072002 HKNMJGIIRRMQPI-CQSZACIVSA-N 441.509 4.103 5 20 IIBD CN1CCC(N(C)[C@H]2CCCC[C@H]2N(C)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 809917505 MIZQWGIRUXIHMC-ZWKOTPCHSA-N 437.972 4.049 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cc(Cl)ncc3Br)n2)c1 810309242 MRLKZKKUWWLLJY-UHFFFAOYSA-N 425.626 4.055 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 810317915 JMRHACCDIYHQME-SZMVWBNQSA-N 432.521 4.314 5 20 IIBD CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811217002 PCMMXRJSLWLZNK-XVDDLASSSA-N 447.538 4.019 5 20 IIBD Cc1csc(Nc2ccc(C(=O)O[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])cc2)n1 811320279 MKQAGWXCWDYMPU-CYBMUJFWSA-N 426.454 4.287 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)ccc1[N+](=O)[O-] 814430894 JKXOUYFPRLILBJ-OALUTQOASA-N 431.533 4.403 5 20 IIBD C[C@H](N[C@H](C)c1ccc(Br)cc1OCCCO)c1ccc(N)c([N+](=O)[O-])c1 815627492 BYWVBMNCYCYWIT-QWHCGFSZSA-N 438.322 4.113 5 20 IIBD CSc1ccc([C@H](CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])N(C)C)cc1 819343449 ZLHIZGCGJXFQBU-SFHVURJKSA-N 425.913 4.071 5 20 IIBD Cc1cc(C(=O)NCc2nc(-c3ccc(COc4ccccc4)cc3)no2)ccc1[N+](=O)[O-] 904446597 PZJWFXLYUOEJCN-UHFFFAOYSA-N 444.447 4.462 5 20 IIBD CCN(CC)C(=O)COc1ccc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1Cl 914734491 FRVJABICWTXZAJ-GHXNOFRVSA-N 431.876 4.147 5 20 IIBD CN(Cc1ccc(C(=O)NC2CC2)cc1)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 914862673 PYEGBHWZSGRPGB-UHFFFAOYSA-N 438.362 4.050 5 20 IIBD CNC(=O)c1cccc(OC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c1 915156466 BMLVJNPYEMCPRI-UHFFFAOYSA-N 429.479 4.090 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N(C(C)C)C(C)C)cc1 915249574 JWLXCVZDGIDQTR-UHFFFAOYSA-N 430.457 4.198 5 20 IIBD COC(=O)Nc1ccc(Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])cc1 917083827 DOLXFDHYTDRINN-UHFFFAOYSA-N 448.501 4.081 5 20 IIBD COc1ccc(CNC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)cc1[N+](=O)[O-] 917845746 AHNYKNVGOHTQOS-SNEKZUEESA-N 437.334 4.344 5 20 IIBD Cc1nccn1-c1ncccc1NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 919982731 LBWSNJMJFQOYFH-HOTGVXAUSA-N 434.500 4.219 5 20 IIBD CC(C)Oc1ccc(Cl)cc1C(=O)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 920146733 DHNUOMIEFQYOFT-UHFFFAOYSA-N 441.267 4.276 5 20 IIBD C[C@@H](OC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 920652556 KOBXOCROJJSJCK-LLVKDONJSA-N 449.250 4.271 5 20 IIBD COc1cccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1Br 1320628858 SBYNEQOGYWFFQB-UHFFFAOYSA-N 430.052 4.381 5 20 IIBD Cn1ccnc1Sc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2N)cc1 1321766771 UXXNWHYBGAUTNC-UHFFFAOYSA-N 448.302 4.077 5 20 IIBD CNC(=O)c1cc(Br)ccc1NCc1ccc([N+](=O)[O-])cc1Br 1324136495 PAQMLOYOFZFHQK-UHFFFAOYSA-N 443.095 4.092 5 20 IIBD Cc1cccc(NC[C@H]2CCCN2C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)n1 1324381881 RSBWBRKURHPCDK-OAHLLOKOSA-N 433.306 4.086 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCC(c3nc4ccccc4o3)CC2)c(C)c([N+](=O)[O-])c1 1343619866 IFOXUWMEHHOSLD-UHFFFAOYSA-N 438.440 4.243 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)NC1(c2ccc(NC(=O)c3cccnc3)cc2)CCC1 1787305876 VIYZBWVSLXIFAM-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD CC[C@H](C)CC(=O)NC1(c2ccc(NC(=O)c3nc(OC)ccc3[N+](=O)[O-])cc2)CCC1 1788852666 LBBXJSFJUQJIFT-HNNXBMFYSA-N 440.500 4.182 5 20 IIBD C[C@H]1CCC[C@@H]1C(=O)Nc1ccc(C2(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)CCC2)cc1 1789214613 WMGXVMZROAHABA-BTYIYWSLSA-N 437.496 4.484 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccsc1)C2 1800698228 KXVGBWKBDULNOS-FKIDBEHASA-N 443.500 4.069 5 20 IIBD C/C=C/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830623019 RHIKHRVLXSXWRJ-NKLOFGTRSA-N 429.492 4.100 5 20 IIBD O=C(c1cccc(C(F)(F)F)c1)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 9541941 JIOVHGJOJQRZLL-UHFFFAOYSA-N 436.415 4.186 5 20 IIBD COc1cc(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)c([N+](=O)[O-])cc1OC 12625123 JHHDMSJRGNCFFT-UHFFFAOYSA-N 426.400 4.473 5 20 IIBD O=C(OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(-c2ccccc2Cl)o1 16122656 XCYPIBZWAGCGBC-UHFFFAOYSA-N 426.812 4.254 5 20 IIBD CN(CCOc1ccc(Br)cc1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 18047362 BBZSXGKFQXJCSW-UHFFFAOYSA-N 434.290 4.083 5 20 IIBD O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 21874802 SAKIRCUFETVIGU-UHFFFAOYSA-N 439.472 4.009 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3csc(C)n3)c2)cc1OC 22021528 AJOWCQZOUFGLBL-UHFFFAOYSA-N 443.481 4.313 5 20 IIBD Cc1c(NC(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cccc1[N+](=O)[O-] 22408663 KTTYDUZNFFQYDJ-UHFFFAOYSA-N 443.456 4.024 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ncc(Cc3cccc(OC)c3)s2)cc([N+](=O)[O-])c1 23488483 IOMSWEBEEGEAQD-UHFFFAOYSA-N 441.465 4.080 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1OC 45811629 YWKZNBPOKUNSLS-UHFFFAOYSA-N 434.448 4.452 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)cn2)cc1 57726319 ZIFDQSJZSXQSKQ-UHFFFAOYSA-N 433.468 4.445 5 20 IIBD O=C(Cc1cc(Cl)c2c(c1)OCCO2)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 59253293 ZBQSZPVDUQPVGT-UHFFFAOYSA-N 444.793 4.153 5 20 IIBD CCOc1ccc([C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)C(C)C)cc1OCC 61995127 GAAWMEKAFLTMPN-OAQYLSRUSA-N 443.500 4.153 5 20 IIBD Cc1cccc(COc2ccc(CNC(=O)C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)c1 62048430 OQKQQYBTZOZXKC-UHFFFAOYSA-N 433.464 4.046 5 20 IIBD O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 65127045 WFBJVEUBMOZQBW-GOSISDBHSA-N 436.537 4.360 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1 96935558 KTDOMXFMAFXBDZ-YFHOEESVSA-N 441.915 4.159 5 20 IIBD COc1cc(CN[C@@H](C)c2nnc3ccccn23)ccc1OCc1ccc([N+](=O)[O-])cc1 96971488 ZRCHZSAAUQMPFL-INIZCTEOSA-N 433.468 4.076 5 20 IIBD CC(=O)Nc1ccc(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 195605571 ZQLUMELGCHKZNE-HNNXBMFYSA-N 433.468 4.051 5 20 IIBD C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)NCc1cccc([N+](=O)[O-])c1)OCCO3 195719418 HGTBBBZQGZRABM-MRXNPFEDSA-N 437.496 4.464 5 20 IIBD CCC[C@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)c1nnc2ccccn12 261399311 ZYEXQJFOZJDIAK-SFHVURJKSA-N 436.516 4.145 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1cccc(F)c1 301076821 HOKLJRDPJLISBA-UHFFFAOYSA-N 431.445 4.155 5 20 IIBD O=C(Nc1c(N2CCCC2)cccc1N1CCCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 303525359 VSENAVMJLJVLBO-UHFFFAOYSA-N 446.511 4.233 5 20 IIBD O=C(NCCn1cc([N+](=O)[O-])cn1)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12 426093798 NVOJKHNUXOXBDG-UHFFFAOYSA-N 436.403 4.093 5 20 IIBD COC[C@@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Cl)cc1 426594597 GHHFPHNUMPCPFT-HXUWFJFHSA-N 433.892 4.189 5 20 IIBD COC[C@H](Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-])c1ccco1 426881954 GUIKCSDHRQACJP-IBGZPJMESA-N 445.497 4.405 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 427453982 VBCBSPMJGSSTLJ-AWEZNQCLSA-N 442.859 4.327 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CNc1ccc(NC(=O)[C@H]2CCCO2)cc1C(F)(F)F 429799180 CDZZQZJNELLTNB-QGZVFWFLSA-N 439.390 4.352 5 20 IIBD O=C(Nc1c(-c2ccncc2)nc2ccccn12)c1ccc([N+](=O)[O-])cc1Br 430655315 UGIFBEVMPUAHJR-UHFFFAOYSA-N 438.241 4.319 5 20 IIBD Cc1cc(OCC(=O)Nc2cccc(C[S@](=O)Cc3ccccc3)c2)ccc1[N+](=O)[O-] 430685303 QOTIBTKANQYUSA-WJOKGBTCSA-N 438.505 4.370 5 20 IIBD O=C(Nc1cccc(CN2CCCCC2=O)c1)c1cc(Br)cc([N+](=O)[O-])c1 431453377 UFLUGRMZDIXGJG-UHFFFAOYSA-N 432.274 4.122 5 20 IIBD O=C(N[C@@H]1CCN(c2ccccc2OC(F)F)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437291863 WLERMNLHCSCWOC-CYBMUJFWSA-N 445.344 4.224 5 20 IIBD CCOc1cc(NC(=O)N(Cc2ccccc2)Cc2cc[nH]n2)c([N+](=O)[O-])cc1OCC 437627629 UNCXEAOBTWMLJG-UHFFFAOYSA-N 439.472 4.350 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(Cc1ccnc(-c3ccc(Br)cc3)n1)CC2 441896964 MAVCKERFDMMDMS-UHFFFAOYSA-N 425.286 4.373 5 20 IIBD CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444116854 XLXPPONMHYHIGY-IBGZPJMESA-N 443.522 4.415 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCN(c2cc(F)ccc2F)CC1 444172620 ZHBDYBRFYGSWPX-UHFFFAOYSA-N 437.421 4.061 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CCC(Oc2ccccc2Cl)CC1 447803503 AQLKGBNPEUFOFZ-UHFFFAOYSA-N 431.920 4.128 5 20 IIBD CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC[C@H](SCC)C1 460690024 GEMAZTQQMKNZLK-IBGZPJMESA-N 433.578 4.392 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(-c2c[nH]c(C(=O)OC)c2)cs1 462437211 OFFPEACBPROJML-ZDUSSCGKSA-N 428.470 4.040 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 462903691 QQHLLRMDWJUADV-DYESRHJHSA-N 440.500 4.103 5 20 IIBD COc1cc(CN2CC[C@H](C)N(Cc3ccccc3)CC2)c([N+](=O)[O-])cc1OC(F)F 464834801 HHRSPKLIERMTTN-INIZCTEOSA-N 435.471 4.301 5 20 IIBD CC[C@H]1Oc2cc([C@H](C)NC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)ccc2NC1=O 465361886 DAYYQMVVTUGJSQ-ORAYPTAESA-N 425.485 4.493 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCC(OCCN3CCCC3)CC2)cc1[N+](=O)[O-] 465370778 WUHPXVBUASPVEG-UHFFFAOYSA-N 449.617 4.450 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1cc(O)nc2c(Br)cccc12 466288061 KYITXMNMNLMFMO-UHFFFAOYSA-N 436.649 4.195 5 20 IIBD CC(C)(C)S(=O)(=O)Cc1ccc(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 467155996 WAEIFPZBFNYCSM-UHFFFAOYSA-N 439.921 4.283 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 469926522 KYASBEHISDMZOC-IYBDPMFKSA-N 434.418 4.209 5 20 IIBD O=C(NC[C@@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 471435989 JHIVVZALOHMVAX-INIZCTEOSA-N 435.402 4.038 5 20 IIBD CCN(c1ccc2[nH]ccc2c1)S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 471574511 OCUYKGCAUUBHBR-UHFFFAOYSA-N 438.303 4.362 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 472220435 DJFIBXCKKCABHL-UHFFFAOYSA-N 439.468 4.395 5 20 IIBD COC(=O)COc1ccc(CN[C@@H](C)c2cc(F)c(Cl)cc2Cl)cc1[N+](=O)[O-] 474348369 HICHHYPSYRKUBU-JTQLQIEISA-N 431.247 4.443 5 20 IIBD COc1cccc(N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)c1[N+](=O)[O-] 475353325 DQOFCQAYQNUYHK-UHFFFAOYSA-N 434.290 4.221 5 20 IIBD COc1cc(C(=O)N2CCCC[C@H]2[C@H](C)O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 476208060 UWLBGECEGSXJRE-BBRMVZONSA-N 434.876 4.425 5 20 IIBD CC(C)C[C@]1(CO)CCCN1C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 476474553 YVYZIUNDNJMXMS-IBGZPJMESA-N 441.315 4.101 5 20 IIBD CCOC(=O)c1c(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])sc2c1CCSC2 477786062 DJEVEXRMBWIBJP-UHFFFAOYSA-N 449.554 4.329 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCc3nc4ccc(F)cc4[nH]3)cc2[N+](=O)[O-])n1 478299630 BJWQLXLZSDLIAZ-UHFFFAOYSA-N 443.485 4.456 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1 479051601 JKLQBLBXEGLTKV-UHFFFAOYSA-N 432.480 4.231 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nnc1-c1cccnc1 479972776 TXJJCVAZVDDGPF-LLVKDONJSA-N 432.893 4.041 5 20 IIBD CCc1c(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)cnn1-c1cccc(C)c1 482708627 WKBPIDYTYOAQDH-UHFFFAOYSA-N 431.452 4.217 5 20 IIBD Cc1ccc([C@H](C)NCc2cccnc2Oc2cccc(S(C)(=O)=O)c2)cc1[N+](=O)[O-] 483724173 KDMQFISEIKYWHQ-INIZCTEOSA-N 441.509 4.345 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 484541586 IOVDLQJLYOPYMN-QGZVFWFLSA-N 445.476 4.030 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCC[C@@H]3CC(=O)c3cnn(C)c3)c([N+](=O)[O-])c2)cc1 485164159 XOERWLCZMKWNHF-HXUWFJFHSA-N 447.495 4.131 5 20 IIBD Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 486734634 NNTSVHRJMCMKDV-OKILXGFUSA-N 439.468 4.002 5 20 IIBD O=C([C@H](Oc1ccc(Cl)cc1)c1ccccc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 487101426 PSRZXPGJAVNZOW-OAQYLSRUSA-N 440.887 4.429 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1cccc(N2CCCCC2=O)c1 487925943 BSBUECCOSQQMPF-UHFFFAOYSA-N 436.390 4.452 5 20 IIBD Cc1ccc([C@H](C)NC(=O)c2ccccc2CS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 488076947 FWRFWUCWXXAXBL-KRWDZBQOSA-N 438.505 4.368 5 20 IIBD O=C(c1ccc(N2CC[C@@H](Sc3cccc(Cl)c3)C2)c([N+](=O)[O-])c1)N1CCOCC1 488770299 UVNKGSQAOJSTKK-GOSISDBHSA-N 447.944 4.092 5 20 IIBD COC(=O)c1cc(NC(=O)c2nn(-c3ccccc3Cl)cc2C)c(C)c([N+](=O)[O-])c1 489764524 WCWYJODQDGCTKC-UHFFFAOYSA-N 428.832 4.090 5 20 IIBD Cc1ccc([C@H](C)NC(=O)NCc2ccc(N3CCc4ccccc4C3)nc2)cc1[N+](=O)[O-] 489883474 OMOMURTVSJDNDE-SFHVURJKSA-N 445.523 4.421 5 20 IIBD CC(C)Oc1ccc([C@H](CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])N(C)C)cc1 489965959 PACVTQIOSRGCHA-QFIPXVFZSA-N 448.523 4.477 5 20 IIBD Cn1cc(NC(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)ccc1=O 490745849 MNSLLJFTAATCEA-VBKFSLOCSA-N 446.488 4.473 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CCC[C@H]1OCc1ccccc1 491033475 IEMSFDYGBZNPGM-RBUKOAKNSA-N 433.302 4.154 5 20 IIBD CCC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c1 491056430 BUAWJUNZOIMZBF-INIZCTEOSA-N 447.557 4.119 5 20 IIBD CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Sc3nncn3C)c([N+](=O)[O-])c1)CC2 492893136 QCJFGACRUGFDCJ-SFHVURJKSA-N 437.525 4.415 5 20 IIBD O=C(NCC(F)(F)F)c1ccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 494210981 CSNCMMYKJOJBKI-UHFFFAOYSA-N 436.390 4.083 5 20 IIBD CCN(C(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)[C@H](c1ccc(C)cc1)c1cccnc1 496551471 KVQSABLIKZZMGS-FDDCHVKYSA-N 446.507 4.055 5 20 IIBD Cc1sc(Br)cc1S(=O)(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 497934609 ATTOQAFWZXPNRQ-AWEZNQCLSA-N 449.373 4.164 5 20 IIBD O=C(Nc1ccccc1COCc1ccccc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 500009439 DENNOZNRZZVUIG-UHFFFAOYSA-N 429.436 4.145 5 20 IIBD CC(C)c1ccc(C[C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 500202569 PQEIBDCKCZXPKN-QAPCUYQASA-N 429.542 4.132 5 20 IIBD CSc1ccc(C(=O)N2CCCC[C@H]2CNC(=O)Nc2ccccc2)cc1[N+](=O)[O-] 502731910 VJUBGVICBFEKPF-KRWDZBQOSA-N 428.514 4.133 5 20 IIBD CCN(Cc1cccc(-c2ccncc2)c1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 503431880 UUTUOZLXDMICHB-UHFFFAOYSA-N 425.510 4.051 5 20 IIBD CCCOc1cc(NC(=O)NCc2cn3ccsc3n2)c([N+](=O)[O-])cc1OCCC 503948348 OQISIUPCJATPOF-UHFFFAOYSA-N 433.490 4.203 5 20 IIBD COCC[C@H](NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1ccco1 504981279 QRBFQVNHQJNCFY-AWEZNQCLSA-N 439.255 4.188 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN(CCc2ccccc2)C1 506208821 STTJGYQBZNNVLX-IBGZPJMESA-N 427.570 4.391 5 20 IIBD CCCCN(Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 506765670 CIBXYCWYYRMKED-HXUWFJFHSA-N 431.558 4.152 5 20 IIBD COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C 508042133 GFUNMTZGUXRQKE-SFHVURJKSA-N 447.919 4.085 5 20 IIBD CCN(Cc1cccc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1)C(C)=O 510026621 PRESPHTZUOMMHZ-UHFFFAOYSA-N 434.290 4.286 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC=C(c2c[nH]c3ncccc23)CC1 510855609 YBLQXSBTSKOJKU-UHFFFAOYSA-N 429.383 4.394 5 20 IIBD COc1ccc(C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)c2ccc(OC)cc2)cc1 511148838 YQXCUQJOPXLRHF-NRFANRHFSA-N 436.464 4.334 5 20 IIBD COc1cc(CN2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c([N+](=O)[O-])cc1OCC(F)F 511785959 LXDLWDYGMQPQCK-QYZOEREBSA-N 448.466 4.252 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)Cc3ccc4c(c3)OCO4)cc2[N+](=O)[O-])C1 512585488 CYDPFVMIBPMVBX-HOTGVXAUSA-N 425.485 4.078 5 20 IIBD CCOc1ccc(NC(=O)CN[C@@H](c2c[nH]c3ccccc23)C(F)(F)F)c([N+](=O)[O-])c1 513143421 CZBRLZDPEWISIF-IBGZPJMESA-N 436.390 4.307 5 20 IIBD Cc1c(CNC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)sc2ccc(Cl)cc12 514065871 GAFPSDDZXLFMJL-UHFFFAOYSA-N 438.914 4.105 5 20 IIBD O=C(CNc1cc([N+](=O)[O-])ccc1OC(F)F)Nc1ccc(Br)cc1F 515664367 VLIJKADONAERMX-UHFFFAOYSA-N 434.168 4.148 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cc([N+](=O)[O-])c1 515691716 WPISKYQCCBDSCL-HNNXBMFYSA-N 439.468 4.038 5 20 IIBD CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1)C(C)(C)C 517284783 JGGZOQJOCCRXRG-LJQANCHMSA-N 433.530 4.259 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)Nc2nc(C3CC3)cs2)cc1[N+](=O)[O-] 517336650 UZIJKCIXBDNXDV-UHFFFAOYSA-N 436.493 4.478 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 517780484 YNVCXIVFMXWKJX-YTQUADARSA-N 428.489 4.152 5 20 IIBD COc1ccc(C)cc1-n1ccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)n1 518948205 UZQXMDJPHBQOJA-UHFFFAOYSA-N 448.401 4.302 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(NCc2ccccc2COC(C)C)c([N+](=O)[O-])c1 518985810 AMVZPJWOTBEIQT-UHFFFAOYSA-N 435.546 4.162 5 20 IIBD C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2F)cc1 519877082 BHYHYUJCGNRSEJ-GASCZTMLSA-N 429.448 4.155 5 20 IIBD CCOc1cc2c(cc1OCC)CN(c1ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c1)CC2 520031817 DMOXHRPUINUOGS-UHFFFAOYSA-N 439.512 4.191 5 20 IIBD CCCCN(C1CC(C)(C)NC(C)(C)C1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 520404463 WLYFQOVHJZPNTQ-UHFFFAOYSA-N 431.986 4.348 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]1c1cccc2c1OCCO2 523971798 ZCWXKPKOPFHXRL-INIZCTEOSA-N 432.860 4.152 5 20 IIBD COc1cc([C@H](C)NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)ccc1OC1CCCC1 524244390 YABGKWUMCGFNOB-HNNXBMFYSA-N 428.485 4.353 5 20 IIBD CCN(C[C@H]1COc2ccccc2O1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 524473871 PIDNBBKGZTYDOW-INIZCTEOSA-N 425.466 4.020 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1cc2c(cc1OC(F)F)OCO2 525048618 ZBLOERNSEXKUST-NSHDSACASA-N 440.424 4.064 5 20 IIBD COc1ccc(N(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C(C)C)cc1F 530793993 MNSFQHVMFKBFNH-UHFFFAOYSA-N 425.254 4.489 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)Nc1cccc(-c2ncco2)c1)c1ccccc1[N+](=O)[O-] 533132056 PCGPUGVTSVKMDE-SFHVURJKSA-N 438.440 4.454 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nnc(C)n1[C@@H]1CCC[C@H](C)C1 535337786 WOWWSRQHCSDMED-DZGCQCFKSA-N 433.534 4.375 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 537097804 DXQWCGSBJNRRGC-QGZVFWFLSA-N 447.495 4.230 5 20 IIBD CCc1nn(C)c(N2CCC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c1[N+](=O)[O-] 537655992 XTHHSPCEMFMCQX-UHFFFAOYSA-N 426.304 4.053 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(-c2nc3ccccc3n2C)c1 537721142 VNDVHQRKDDBRJQ-KRWDZBQOSA-N 447.499 4.020 5 20 IIBD Cc1cc(NC(=O)COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n(-c2ccccc2F)n1 541294276 OKQTULUJGMRUGH-UHFFFAOYSA-N 438.337 4.264 5 20 IIBD COc1ccc(CCc2nc3ccccc3n2C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 543119503 LCMKZBPJBPDJOT-LJQANCHMSA-N 447.491 4.178 5 20 IIBD CCOC(=O)c1sc([C@H](C)NCCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)nc1C 543549029 YDPDABADGSJDLP-ZDUSSCGKSA-N 430.486 4.085 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccn(C)n1 545109242 PIKWUAHKIWVQSN-YJYMSZOUSA-N 430.917 4.368 5 20 IIBD Cc1sc2nc(Cc3noc(CSc4ccc([N+](=O)[O-])cc4)n3)nc(O)c2c1C 546945718 DYUKPGGYLKOYMZ-UHFFFAOYSA-N 429.483 4.188 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(-c2ccccc2Cl)o1 558179956 CSEIBYUOTAGIGY-JTQLQIEISA-N 434.861 4.426 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1-c1nc(-c2ccc3cc[nH]c3n2)no1 558376820 NQDRANGUARZDMI-UHFFFAOYSA-N 447.192 4.101 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CC[C@](F)(c2ccccc2F)C1 558820982 HDDVTLLDPFFBIR-GOSISDBHSA-N 430.329 4.386 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(NC[C@H](OCC2CC2)c2ccc(Cl)cc2)s1 561337553 FIRVVZKYCOZDCA-HNNXBMFYSA-N 430.935 4.293 5 20 IIBD CC(C)(NC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccccc1[N+](=O)[O-] 561696407 IULAZQYRASWVNQ-UHFFFAOYSA-N 429.432 4.061 5 20 IIBD C[C@@H](NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccncc2)cc1 565545173 FQGYIYWJPGPOKX-QGZVFWFLSA-N 447.495 4.187 5 20 IIBD Cc1nc(-c2ccc(CCNC(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)s2)cs1 569059310 GRBSVAOEEGTNSJ-UHFFFAOYSA-N 444.538 4.235 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 587565217 JGZBDBQJZBNIBU-MLGOLLRUSA-N 432.464 4.262 5 20 IIBD O=C(NCC1CCN(CC(F)F)CC1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 590375253 FAOQOPVOPOAUFT-UHFFFAOYSA-N 427.517 4.336 5 20 IIBD COc1ccc(CNC(=O)Cc2c(C)nn(-c3ccc(C)c(Cl)c3)c2C)cc1[N+](=O)[O-] 604017578 ISDOGCSSUGPDQX-UHFFFAOYSA-N 442.903 4.227 5 20 IIBD Cc1ccc(NC(=O)c2ccc(Oc3ccc(S(C)(=O)=O)cc3)c([N+](=O)[O-])c2)cc1 608971259 FWXCJKKCGJLYJW-UHFFFAOYSA-N 426.450 4.351 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cnn(CC(F)(F)F)c3)cc2[N+](=O)[O-])C1 609816852 IJCHTTNNJOOFBD-BETUJISGSA-N 425.411 4.088 5 20 IIBD COc1ccc(CN(C)C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cc1 609853195 DVPHZWPSABLEGO-UHFFFAOYSA-N 435.267 4.368 5 20 IIBD Cc1cc(CSc2ncccc2C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)no1 610046884 LTLULHOUCSVLNO-UHFFFAOYSA-N 426.498 4.331 5 20 IIBD COC(=O)c1ccc(OCc2ncc(-c3ccc(Br)cc3)o2)c([N+](=O)[O-])c1 610217262 OFXVSDFRMKXPJQ-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC(c4nc5ccccc5[nH]4)C3)cc2[N+](=O)[O-])C1 610766024 VNYJYMHADGQSEI-HOTGVXAUSA-N 433.512 4.193 5 20 IIBD CC(=O)N[C@@H]1Cc2ccccc2N(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 610977377 HGIUPESJUFCNNJ-HXUWFJFHSA-N 430.464 4.046 5 20 IIBD CCOc1cc(NC(=O)c2cc3cnn(C(C)C)c3nc2C)c([N+](=O)[O-])cc1OCC 619212852 MUGNFFWMOFNNQM-UHFFFAOYSA-N 427.461 4.279 5 20 IIBD CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 728259672 FAEKUKIJOFSQDO-UHFFFAOYSA-N 435.864 4.404 5 20 IIBD CCCN(CCC)C(=O)c1cccc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)c1 728687568 YLWYDVWQIYUPQH-UHFFFAOYSA-N 442.468 4.081 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 729119730 URFXJSFEYOZLRY-UHFFFAOYSA-N 447.509 4.455 5 20 IIBD C[C@@H](C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O)C(C)(C)C 734389761 WWFKQHDQTCIDEB-KBVGCWLLSA-N 439.921 4.083 5 20 IIBD Cc1cc(C(=O)OCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c(C)n1Cc1ccccc1 735334443 JHQXVUWTJSHWRQ-UHFFFAOYSA-N 449.463 4.216 5 20 IIBD COc1ccc(OC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c2ccccc12 744318867 AJUIZTWQKJOMQQ-UHFFFAOYSA-N 436.449 4.256 5 20 IIBD CCC[C@H](NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccccc1 744562510 LVABGVKRZMHKEB-UWJYYQICSA-N 439.512 4.398 5 20 IIBD Cc1cc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)nc(-c2ccc(Cl)cc2)n1 751855257 DHVASBHPTPHNBI-UHFFFAOYSA-N 441.827 4.237 5 20 IIBD Cc1ccc(NC(=O)Cc2nc(COC(=O)c3c(F)ccc([N+](=O)[O-])c3F)cs2)cc1 752559805 RJCZBQJEYDNGPW-UHFFFAOYSA-N 447.419 4.176 5 20 IIBD CCc1cc(N2CCOC[C@H]2C[C@H](O)c2cccs2)nc(-c2ccc([N+](=O)[O-])cc2)n1 754026287 ZUEYHHSSLONPGG-MOPGFXCFSA-N 440.525 4.005 5 20 IIBD Cc1ccc(N2CCOC2=O)cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 755020722 ZFORPRJHWANLJZ-UHFFFAOYSA-N 438.209 4.014 5 20 IIBD O=C(N[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1)c1cc2ccccc2o1 755581779 DHTOZYQJHMTCMJ-AWEZNQCLSA-N 427.844 4.029 5 20 IIBD CCOc1ccc(Cl)cc1CCNC(=O)c1cc([N+](=O)[O-])ccc1Br 756215244 IUUCVELANXYFRX-UHFFFAOYSA-N 427.682 4.382 5 20 IIBD CC[C@@H]1CN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC[C@@H]1NC(=O)OC(C)(C)C 756909926 NHEXXZWHROSOSV-UZLBHIALSA-N 429.521 4.041 5 20 IIBD CC(C)(C)c1nc2ccc(NC(=O)C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)cc2s1 757276536 REVCJIVSVQPFQZ-UHFFFAOYSA-N 446.916 4.410 5 20 IIBD CC(C)(C)OC(=O)N1CCC(n2cc(NC(=S)Nc3ccc([N+](=O)[O-])cc3)cn2)CC1 757932891 RIECWYGDIAXRCS-UHFFFAOYSA-N 446.533 4.172 5 20 IIBD C[C@H](C(=O)O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccc(Br)s1 759930391 JENWMEQGMQHVFI-QJPTWQEYSA-N 428.308 4.446 5 20 IIBD CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c1 762977627 QVQQPECRRVLQSZ-UHFFFAOYSA-N 440.456 4.232 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CC[C@@H](c3ccccc3OC)C2)c1=S 765016587 WTSFDALCMIVQHJ-QGZVFWFLSA-N 439.541 4.465 5 20 IIBD COc1ccccc1[C@@H](OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 766517735 OTECIIWFMIRRGS-QHCPKHFHSA-N 434.448 4.056 5 20 IIBD CC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@@H]1NC(=O)OC(C)(C)C 770000580 AXIRUZQCENQZPC-DOMZBBRYSA-N 426.901 4.405 5 20 IIBD CC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H](c1ccc(C)cc1)n1cncn1 770011805 VGHAJBUVBNRMSB-PKOBYXMFSA-N 428.880 4.338 5 20 IIBD C[C@H](OC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)Nc1cccc2ncccc12 770158066 SAOPKNYOSFVJBL-NSHDSACASA-N 444.241 4.090 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C1CCC(NC(=O)C2CCCC2)CC1 770321021 WZXYWEGQKSHKAY-UHFFFAOYSA-N 438.322 4.161 5 20 IIBD O=C1C[C@@H](C(=O)N2CCCC[C@H]2c2ccc(F)cc2F)CN1c1ccc(F)c([N+](=O)[O-])c1 770693990 VMXMUPBWJDRTBE-YJYMSZOUSA-N 447.413 4.119 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc(CC(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)c1 772111532 KTSUOGUNIKCTMH-UHFFFAOYSA-N 444.440 4.094 5 20 IIBD Cc1c(C(=O)Nc2ccnn2Cc2ccc(C(F)(F)F)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 776916191 FPXLKCQKFPQASE-UHFFFAOYSA-N 449.345 4.327 5 20 IIBD CC(=O)Nc1ccc(Br)cc1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 777975817 AMONHZFHYQWJLP-UHFFFAOYSA-N 428.189 4.046 5 20 IIBD Cc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 778888108 QOIGXBHFYPWJSG-JTQLQIEISA-N 428.775 4.342 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)N1CCC[C@@H]1c1cccs1 778890420 HMVWVWGTYQGEDP-SMDDNHRTSA-N 440.424 4.167 5 20 IIBD C[C@@H]1CCCC[C@H]1N(C)C(=O)COC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781258270 ZMNPRHUWDVQRIK-ZUOKHONESA-N 442.462 4.153 5 20 IIBD CC1=C(C(=O)Nc2cccc(Cl)c2)[C@@H](c2ccc([N+](=O)[O-])s2)NC(=O)N1C1CC1 782244082 CYQIREUHHCMQSL-QGZVFWFLSA-N 432.889 4.451 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N(C)C2CCCCCCC2)cc1[N+](=O)[O-] 784699921 WXZJISNWIYTJSZ-UHFFFAOYSA-N 426.311 4.176 5 20 IIBD CC(C)n1ncnc1COC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 789680083 PWWRQDJEVPJVEU-UHFFFAOYSA-N 429.864 4.390 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@H]1C[C@@H]1c1cccc(Br)c1 790550351 AIITUFGHPYEUFL-DOMZBBRYSA-N 427.657 4.365 5 20 IIBD COC(=O)c1sc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])nc1C(C)(C)C 790843140 PDGOEQQLPOSZMX-UHFFFAOYSA-N 429.857 4.109 5 20 IIBD COc1cc(OC2CC2)ccc1C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 791610764 QYXXJKDGJWHFHF-LBPRGKRZSA-N 425.397 4.113 5 20 IIBD COc1cc(C(=O)OCc2csc(-c3cccc(OC)c3OC)n2)cc([N+](=O)[O-])c1C 791687197 BNFWPMJNXGUPHU-UHFFFAOYSA-N 444.465 4.410 5 20 IIBD Cc1cccc(NC(=O)[C@H](C)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c1C 792892334 NPKNFQGTHDNYCA-AWEZNQCLSA-N 432.318 4.359 5 20 IIBD Cc1ccc(Cl)c(S(=O)(=O)NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c1Cl 793354386 YEUCLUAPRJLUQW-UHFFFAOYSA-N 449.287 4.132 5 20 IIBD CCC(=O)c1ccc(N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c([N+](=O)[O-])c1 795245063 XHQTUNMATCMTHZ-SFHVURJKSA-N 425.485 4.330 5 20 IIBD CCOc1ccc(NS(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])c(C)c1 795301462 YXJNEXAGXRPQFN-UHFFFAOYSA-N 433.255 4.004 5 20 IIBD COCc1nc(C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)c(-c2ccccc2)s1 799596115 HSBRGMZGECAJLX-UHFFFAOYSA-N 425.422 4.363 5 20 IIBD CC(=O)c1cc([N+](=O)[O-])ccc1N(C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 804428722 XRTLCFCXLGODOS-UHFFFAOYSA-N 439.493 4.235 5 20 IIBD Cc1c(CC(=O)NCc2cccc3c2CCCN3C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] 805308985 KOJKSPIZVMPUAN-UHFFFAOYSA-N 439.512 4.450 5 20 IIBD Cc1nc2cc(CNC(=O)c3cc(F)cc([N+](=O)[O-])c3Br)ccc2n1C1CC1 808040674 PTUCRBAAKLBRKU-UHFFFAOYSA-N 447.264 4.419 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccc(Cl)c(SC(=O)N(C)C)c2)ccc1[N+](=O)[O-] 808117324 NGEFHELGNQLEDA-UHFFFAOYSA-N 429.907 4.131 5 20 IIBD O=C(NC[C@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1)Nc1cccc(F)c1 809915401 XHNVGWWKNFWGJX-CYBMUJFWSA-N 449.870 4.453 5 20 IIBD O=C(Cc1c[nH]c2ccccc12)N1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 809936085 QFQDYHKZGMFUFR-UHFFFAOYSA-N 447.322 4.270 5 20 IIBD C[C@H](NC(=O)N1CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1cccc([N+](=O)[O-])c1 811864940 QCGXCEDVBVVRJI-QFBILLFUSA-N 446.548 4.334 5 20 IIBD CN1C(=O)C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@@H]1c1ccc(Cl)c(F)c1 813247247 PSLKVRBEUPBTHP-QGHHPUGFSA-N 426.231 4.199 5 20 IIBD Cc1cc(Nc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)c([N+](=O)[O-])cc1C(F)(F)F 814821840 ADNABZBJEZUVOD-LBPRGKRZSA-N 434.378 4.457 5 20 IIBD COc1cc(N2CCC(OC(=O)c3nsc4ccc(C)cc34)CC2)ccc1[N+](=O)[O-] 815958055 UMGAOYUYRKWXSY-UHFFFAOYSA-N 427.482 4.347 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(S(=O)(=O)C2CCCCC2)c1 817477540 LXOOWHYHGJNERD-UHFFFAOYSA-N 431.514 4.020 5 20 IIBD CC(C)CCn1c(SCC(=O)NC(=O)c2cccc([N+](=O)[O-])c2)nc2ccccc21 844161317 BPANXIZXOKLZMK-UHFFFAOYSA-N 426.498 4.039 5 20 IIBD O=C1C[C@H](C(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)CN1c1ccc(F)c([N+](=O)[O-])c1 914513076 UXRCIGSUQVKKLS-HRAATJIYSA-N 437.471 4.155 5 20 IIBD O=C(/C=C\c1cc(C(F)(F)F)ccc1Cl)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 914740218 XYOPANATNWGKGP-BHQIHCQQSA-N 440.809 4.024 5 20 IIBD COc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)ccc1OC(C)C 914843522 ZWWBYTUSAJOYIG-UHFFFAOYSA-N 427.501 4.311 5 20 IIBD Cc1ccc2[nH]c3c(c2c1)CN(c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])CC3 917054174 ALRQDAJETBSJQN-UHFFFAOYSA-N 439.415 4.241 5 20 IIBD O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)C1 917084383 CTXULUREEHDXJM-NSHDSACASA-N 439.697 4.261 5 20 IIBD CC1CCN(c2ccc(CNC(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)cn2)CC1 917202890 DZTGXWSXMPPKFN-UHFFFAOYSA-N 437.544 4.146 5 20 IIBD CNC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc1Cl 917831867 TVQCMHRMDBKYLY-UHFFFAOYSA-N 430.892 4.096 5 20 IIBD Cc1cccc([C@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c1 917931092 IGJVMXICBXEGTG-MRXNPFEDSA-N 425.304 4.192 5 20 IIBD O=C(COC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)Nc1ncc(C(F)(F)F)cc1Cl 919213869 MJBGXXBZISMTSI-UHFFFAOYSA-N 443.721 4.204 5 20 IIBD C[C@H](OC(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 919442692 DMFVUIPQDUMKBQ-QWRGUYRKSA-N 427.240 4.239 5 20 IIBD CC(C)[C@H](OC(=O)CCOc1ccccc1[N+](=O)[O-])C(=O)N1CCSc2ccccc21 919493208 ROXMXMWRQHCOLZ-NRFANRHFSA-N 444.509 4.070 5 20 IIBD CC(C)[C@@H](OC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)C(=O)NC(C)(C)C 920548796 TWMKGXQYQXLWMK-MGPUTAFESA-N 442.516 4.259 5 20 IIBD O=C(Nc1ccc(CC(=O)N2CCc3ccccc32)cc1)N1Cc2ccc([N+](=O)[O-])cc2C1 1116152977 PHLKNZSTVCFISZ-UHFFFAOYSA-N 442.475 4.274 5 20 IIBD O=C(Nc1cccnc1)c1ccc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1Cl 1251551983 YCIAOGSNNXYIBC-UHFFFAOYSA-N 432.770 4.426 5 20 IIBD COc1cccc(N2CCC(NC(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)CC2)c1 1324409887 MAHLHJBIBCUTCS-UHFFFAOYSA-N 449.305 4.156 5 20 IIBD O=C(NCc1ccc(-n2cnc3ccccc32)nc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 1325959079 ALRNOWRXGAYNIT-UHFFFAOYSA-N 445.482 4.345 5 20 IIBD CN1C(=O)C[C@@H](c2nnc(COc3ccccc3[N+](=O)[O-])o2)[C@H]1c1ccc(Cl)c(F)c1 1335354386 SAJFHISEYYUKHP-CWTRNNRKSA-N 446.822 4.036 5 20 IIBD O=C(O[C@H]1CCCS(=O)(=O)C1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 1347109011 VIGIXORYMMTPLJ-AWEZNQCLSA-N 441.914 4.133 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@@H]3CC=CCC3)cc2)CCC1)c1ccc(O)c([N+](=O)[O-])c1 1786076265 BJNXUAAQXKYRES-MRXNPFEDSA-N 435.480 4.404 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3cccc(F)c3[N+](=O)[O-])CCC2)cc1)c1ccccn1 1787296339 CAVGOWLFYCKZJM-UHFFFAOYSA-N 434.427 4.190 5 20 IIBD CC(C)O[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3F)CCC2)cc1 1789596475 CCRDGBMRXOWSOF-HNNXBMFYSA-N 443.475 4.295 5 20 IIBD O=C(/C=C/C1CC1)NC1(c2ccc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCC4)cc2)CCC1 1790044154 CGFZOZBPOFWCCN-RUDMXATFSA-N 447.491 4.244 5 20 IIBD CC[C@H]1CC[C@H](C(=O)N2CCC3(CCCN(C(=O)c4ccc([N+](=O)[O-])o4)C3)CC2)CC1 1804654351 WBXKLAXEGYCSEN-IYARVYRRSA-N 431.533 4.249 5 20 IIBD Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3cccc([N+](=O)[O-])c3)n[nH]2)cc1 1814376104 OKPKKWXDXOMWBX-NRFANRHFSA-N 447.495 4.175 5 20 IIBD CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])n[nH]2)CCC1 1823500545 DPEKYQUTLQTFAK-VYENPZKTSA-N 437.500 4.214 5 20 IIBD O=C(c1ccsc1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830615756 CAESGHUENLPBFP-IBGZPJMESA-N 445.516 4.343 5 20 IIBD Cc1ccc(-c2nc(C)sc2CC(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 11214164 WMIMDQMUTYWNBJ-AWEZNQCLSA-N 439.493 4.448 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)Cc2coc3c(C)c(C)ccc23)c([N+](=O)[O-])c1 16938169 QXDJIBKTFYMCJC-CQSZACIVSA-N 426.425 4.079 5 20 IIBD CCN(Cc1nc2ccccc2c(=O)[nH]1)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] 30577023 XMMYLWPDBAXEOR-UHFFFAOYSA-N 428.448 4.089 5 20 IIBD O=C(NCCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 32506070 BZUPRNFYWFYTEC-UHFFFAOYSA-N 427.476 4.215 5 20 IIBD O=S1(=O)CC[C@@H](Cc2nnc(SCc3nc4ccccc4c4ccccc34)o2)C1 45493917 GKAHEVPJUKYSKB-AWEZNQCLSA-N 425.535 4.041 5 20 IIBD Cc1cc(NS(=O)(=O)c2c(Cl)cccc2Cl)n(-c2ccc([N+](=O)[O-])cc2)n1 57722106 IHCIITHFTDSGGN-UHFFFAOYSA-N 427.269 4.197 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N(C)CCOc2ccc(F)cc2)cc1[N+](=O)[O-])c1ccccn1 64760943 ZIXXGBNUDWBMSA-MRXNPFEDSA-N 438.459 4.453 5 20 IIBD COc1ccc([C@@H](C)NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1Br 115255896 WPYZAWYPXNUFCL-LLVKDONJSA-N 434.290 4.431 5 20 IIBD CCOc1cc(NCc2ccc(Br)cc2N2CCOCC2)ccc1[N+](=O)[O-] 301756686 LBMHAWVKZMAHMI-UHFFFAOYSA-N 436.306 4.205 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCCc2ccc(C(C)(C)C)cc2)ccc1[N+](=O)[O-] 303145563 MWJVMKDYPMBMCZ-QFIPXVFZSA-N 437.540 4.164 5 20 IIBD O=C(Nc1c(N2CCCC2)cccc1N1CCCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 303480658 OMGZJVNKYAFDKH-UHFFFAOYSA-N 446.511 4.233 5 20 IIBD O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 409582063 NYBZZDHHMDOVNP-BEFAXECRSA-N 438.402 4.434 5 20 IIBD O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 429193818 WOHGVOSUXADDDK-LADGPHEKSA-N 441.503 4.182 5 20 IIBD O=C(Nc1nnc(Cc2ccccc2F)s1)c1ccc(Br)cc1[N+](=O)[O-] 430921741 ZHZKIGBKVLQIIH-UHFFFAOYSA-N 437.250 4.191 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CC[S@](=O)C1 432617092 LRRUHXUUIHKWTF-QYSRSOONSA-N 438.958 4.240 5 20 IIBD O=C(NCCc1cccs1)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435530132 UTNCWKSCJWXZPK-UHFFFAOYSA-N 433.536 4.166 5 20 IIBD COc1cccc(C(=O)NC[C@H](c2ccccc2)N2CCc3sccc3C2)c1[N+](=O)[O-] 435549531 VEWCYZPSHMTQPP-LJQANCHMSA-N 437.521 4.194 5 20 IIBD COC(=O)c1ccc(OC(C)C)c(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 437808860 ITEQOAISWOKVDX-UHFFFAOYSA-N 427.457 4.365 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@H](C(C)C)c2ccccc21 446913937 WKMMPVAFWADUAR-WOJBJXKFSA-N 441.553 4.233 5 20 IIBD CCc1nnc(-c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2)o1 446998019 CDKNVOYIAFGOBD-UHFFFAOYSA-N 442.375 4.027 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC(n3ccc(C)n3)CC2)cc1 447620870 RFCXPZZNFXOAAT-UHFFFAOYSA-N 436.468 4.378 5 20 IIBD CCCOc1cn(-c2ccccc2)nc1C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 460368243 YOTDCCJZMJOPGY-JOCHJYFZSA-N 438.509 4.457 5 20 IIBD CC1(C)CN(C(=O)c2ccc(C(=O)N3CC(C)(C)[C@H]3C3CC3)c([N+](=O)[O-])c2)[C@@H]1C1CC1 460981690 PTGKMJUGQIQRBL-WOJBJXKFSA-N 425.529 4.116 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N(CC3CC3)C3CCCCC3)n2C[C@H]2CCOC2)c1 461365500 KTFSMFBZHCSLLE-GOSISDBHSA-N 425.533 4.439 5 20 IIBD COc1ccc([C@H]2CCCN2c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCOC2)cc1 461577559 MWFXTJIUYDVBGT-HTAPYJJXSA-N 449.511 4.240 5 20 IIBD CCN(Cc1cccc(-c2ccncc2)c1)S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C 462508937 ZJNXJYKRQBTLJH-UHFFFAOYSA-N 425.510 4.484 5 20 IIBD CCOc1cccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1OC(F)F 465021651 AYVSITXXFZVLSP-LLVKDONJSA-N 444.818 4.332 5 20 IIBD CO[C@@H](CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccc(F)cc1 465391686 YYRWQXNLZUDUIA-QRQCRPRQSA-N 438.459 4.420 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N(Cc2cccc(Br)c2)C2CCOCC2)c1 468150922 UXTACUGUPASMSF-UHFFFAOYSA-N 449.301 4.187 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)NCc2nc(-c3cccc(Br)c3)no2)c1 468609416 GYMNYJDQDOIHHZ-UHFFFAOYSA-N 449.286 4.059 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 475637765 IBBUSQLNEQYJMY-OAHLLOKOSA-N 441.406 4.134 5 20 IIBD COCCOc1c(Cl)cccc1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 477577824 UZJSGMBQINSRHA-UHFFFAOYSA-N 428.272 4.291 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)oc1ccccc12 478046803 DUCXRWFPCZUCJA-UHFFFAOYSA-N 437.839 4.445 5 20 IIBD COc1ccc(OC)c(-c2csc(NC(=O)c3cc(OC)c(C)c([N+](=O)[O-])c3)n2)c1 480091443 GHYWYZYXVNCPLW-UHFFFAOYSA-N 429.454 4.305 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NC[C@@](C)(CO)Cc2ccccc2)cc1[N+](=O)[O-])c1ccccn1 481127602 QXHWOBNDHPZKLK-CJAUYULYSA-N 448.523 4.134 5 20 IIBD COc1ccc(CS(=O)(=O)[C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1Br 485332582 RBPBPEILWTZUHS-GFCCVEGCSA-N 428.304 4.350 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)c1 485797838 CIEZNLFJBCDLIG-UHFFFAOYSA-N 447.904 4.034 5 20 IIBD CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 486056489 VREBGSRKBDSVDH-UHFFFAOYSA-N 430.892 4.313 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 486820618 PUCBDOLPUAWOJK-NDEPHWFRSA-N 442.946 4.118 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2cc(C)cn2)c(F)c1 489938693 YDIPHIMANYBNLK-UHFFFAOYSA-N 430.461 4.219 5 20 IIBD Cc1ccc(S(=O)(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)c([N+](=O)[O-])c1 490048800 MQODOYXNUBOCPT-DYVFJYSZSA-N 444.431 4.073 5 20 IIBD COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 493109016 YNZXCAFGGQRRIN-PXNSSMCTSA-N 427.501 4.364 5 20 IIBD COc1cccc(OC)c1OC1CCN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 493249959 CFWFHVQYVYRKAB-INIZCTEOSA-N 443.500 4.234 5 20 IIBD COc1cccc([C@@H](C)N2CCN(C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)c1 493280285 LMYCWIAOVRQBMU-ZWKOTPCHSA-N 426.517 4.061 5 20 IIBD O=C1[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCCN1c1ccccc1Cl 494542636 KTQYMPOYQNKRRJ-LJQANCHMSA-N 442.903 4.118 5 20 IIBD O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 495499899 PWYLYIWESDFWCW-INIZCTEOSA-N 436.493 4.209 5 20 IIBD CC(=O)NCc1ccc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 497988540 KYIUHHXOBKCKSK-OAHLLOKOSA-N 433.468 4.051 5 20 IIBD COc1ccc(CN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)[C@H](CO)C(C)C)cc1 499050603 ZKNINONDKREXSB-IIBYNOLFSA-N 432.542 4.130 5 20 IIBD CCNC(=O)c1ccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 501080862 YWPAHTYKOVENBZ-UHFFFAOYSA-N 427.404 4.094 5 20 IIBD CCOc1cc(C(=O)NCc2ccc(Oc3cccc(F)c3)nc2)c([N+](=O)[O-])cc1OC 501693539 XKYYWEGWLSFBQG-UHFFFAOYSA-N 441.415 4.259 5 20 IIBD COc1ccc(Cn2ncc(C)c2NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OC 502701714 LABISWRLLFMDBC-UHFFFAOYSA-N 436.424 4.164 5 20 IIBD COc1cccc(Oc2ccc(NC(=O)C(=O)N(C)CCc3ccccc3[N+](=O)[O-])cc2)c1 506763810 XIAXINFDYHFUKX-UHFFFAOYSA-N 449.463 4.035 5 20 IIBD Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 507975615 QXQMLSIWBWYBKY-UHFFFAOYSA-N 443.920 4.296 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Sc3nncs3)cc2)cc1OC 510270792 HLOCTRQZWNJCBB-UHFFFAOYSA-N 432.483 4.257 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3ccc(Cl)c4ncccc34)CC2)ccc1[N+](=O)[O-] 510800024 VCLOOBSQLXLIKJ-UHFFFAOYSA-N 440.887 4.158 5 20 IIBD O=C1[C@@H](Sc2nnc(Nc3cccc(F)c3)s2)CCN1c1cccc([N+](=O)[O-])c1 517555453 ZYLJQOJQDWASFD-HNNXBMFYSA-N 431.474 4.227 5 20 IIBD Cc1ncsc1CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1ccccc1 517894369 MWQVIKPQWBBAFM-UHFFFAOYSA-N 434.525 4.497 5 20 IIBD CCN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 518996589 YPBADLBCAMHRHK-UHFFFAOYSA-N 426.494 4.404 5 20 IIBD COc1ccc(COCc2cccc(Nc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])c2)cc1 520025249 HVFRKBOBJCNDIN-UHFFFAOYSA-N 442.493 4.467 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCn2cccc2[C@@H]1c1ccccc1 520473112 CZCSQLGQEXRKFY-BTYIYWSLSA-N 425.872 4.449 5 20 IIBD O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 521497089 XDIMQYFYDXQEHF-UHFFFAOYSA-N 438.871 4.169 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H](Cc1ccccc1)NC(=O)C12CC3CC(CC(C3)C1)C2 522175048 INXCDBZTHCKFAA-MCADVSAISA-N 447.535 4.477 5 20 IIBD C[C@@H](CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1c(Cl)cccc1Cl 522524672 CHISTCMHYOOJNI-VIFPVBQESA-N 430.675 4.413 5 20 IIBD CC(C)(C)c1ccc(Oc2ccc(CN[C@H]3CCCS(=O)(=O)C3)cc2[N+](=O)[O-])cc1 522891623 QBROLYWOUWMBAQ-SFHVURJKSA-N 432.542 4.351 5 20 IIBD CCO[C@H]1C[C@H](N(C)C(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C12CCCCC2 525528702 BAZKQOVRNJUQEQ-ROUUACIJSA-N 442.459 4.405 5 20 IIBD COc1cc(C(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)cc([N+](=O)[O-])c1OC 525539082 ISYGWYFPRBTWSC-HNNXBMFYSA-N 437.452 4.077 5 20 IIBD CC(C)(C)NC(=O)CN1CCC(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 531430199 YJOQSPIQFSFSGB-UHFFFAOYSA-N 444.601 4.040 5 20 IIBD C[C@H]1C[C@@H](c2ccc(F)cc2)CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br 533436176 FPOQBUQDJRWIMI-GXTWGEPZSA-N 436.281 4.313 5 20 IIBD O=C(c1ccc(Cl)cc1F)N1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 534121893 DKAWYCGCXJGKMW-UHFFFAOYSA-N 444.850 4.000 5 20 IIBD Cc1nc2ccccc2n1C[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 534396176 LDLXGDFTBWWIOO-IBGZPJMESA-N 433.512 4.158 5 20 IIBD Cc1ccc([C@H](OC[C@H](O)Cn2cc(Br)c([N+](=O)[O-])n2)c2ccccc2)cc1 535120845 MEVDDWOEIRJIRM-IEBWSBKVSA-N 446.301 4.029 5 20 IIBD Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 535408970 YZVTYUPIXDQCCY-OAHLLOKOSA-N 426.904 4.223 5 20 IIBD CC(=O)Nc1ccc(NC(=O)CSCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 535507941 PLWYIWPOKLRFGQ-UHFFFAOYSA-N 426.454 4.080 5 20 IIBD Cc1ncc(-c2ccccc2)cc1NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O 535522581 ZGWHQUQCPUIFOK-UHFFFAOYSA-N 441.447 4.072 5 20 IIBD CSC[C@H](CCO)NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 535629703 DZPVLUYUJSCUPC-ZDUSSCGKSA-N 449.579 4.200 5 20 IIBD CN1CC[C@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 536487934 JAWZGHHDNUSCND-VFNWGFHPSA-N 446.910 4.384 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)Cc1cc(C)cc(C)c1 536518621 VTNAZLFIQDCWFU-INIZCTEOSA-N 430.526 4.228 5 20 IIBD COc1cc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)ccc1OC(F)F 537604499 CYFCZXCHSCYPSZ-UHFFFAOYSA-N 432.326 4.078 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCc3sc(-c4csc(C)n4)cc3C2)c([N+](=O)[O-])c1 537840262 BSWMRSUQJOGDRX-UHFFFAOYSA-N 435.552 4.144 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cc1SC 539152700 LUFCOEGJAGTYLU-RDTXWAMCSA-N 440.880 4.378 5 20 IIBD COc1ccccc1COC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 539925363 YVEDSPYAYBKTDO-UHFFFAOYSA-N 449.301 4.187 5 20 IIBD CS(=O)(=O)Cc1cccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1 540596287 QDPJEJJKRTXEIS-UHFFFAOYSA-N 434.901 4.343 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2nc(CC(C)(C)C)cs2)cc1[N+](=O)[O-] 540633769 IQUQGZULWHXHBN-UHFFFAOYSA-N 432.531 4.172 5 20 IIBD COc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] 541999365 XEQIHWJGWCTXFN-OAHLLOKOSA-N 438.267 4.154 5 20 IIBD C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1noc(Cc2ccccc2)n1 542232530 MJWVLEHMRCRVQN-LBPRGKRZSA-N 432.889 4.192 5 20 IIBD CC(C)Oc1c(F)cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1F 543160660 OJIQHYKZBILSNU-UHFFFAOYSA-N 440.346 4.480 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@@H](CN1CCCC1=O)c1ccccc1 544404611 JKGIQIOMSYCLAA-INIZCTEOSA-N 436.390 4.099 5 20 IIBD O=C([C@@H]1CC[C@H]2CCCC[C@H]2C1)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 544685500 CMZWXUZXNOZVDH-FGTMMUONSA-N 425.533 4.116 5 20 IIBD Cc1[nH]c2ccc(Br)cc2c1CC(=O)N(C)CCc1ccccc1[N+](=O)[O-] 552264569 OIFXZUZFDAKXQX-UHFFFAOYSA-N 430.302 4.391 5 20 IIBD CCCOc1cc(NC(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)c([N+](=O)[O-])cc1OCCC 558238120 ZHJDEXKVTQFTSN-SJLPKXTDSA-N 434.537 4.263 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCC(=O)Nc1ccc(Br)cc1C 562111397 XUCAMNJPITYCHO-UHFFFAOYSA-N 449.305 4.378 5 20 IIBD Cc1cc(Br)ccc1-c1noc(-c2cccc([N+](=O)[O-])c2N2CCOCC2)n1 571005266 XUPZZXXNYKLAEP-UHFFFAOYSA-N 445.273 4.219 5 20 IIBD CCN(C(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H](C)c1cc2ccccc2o1 571590465 YSHZVIVRJRKAQF-KRWDZBQOSA-N 437.496 4.390 5 20 IIBD C[C@H](NC(=O)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1)c1cccc([N+](=O)[O-])c1 574311570 YXYMAPVZLNRYRS-UGSOOPFHSA-N 439.390 4.338 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2nc3ccccc3n2C(F)F)cc1OC 590644720 UDFAMPWTJGTZMA-NSHDSACASA-N 434.399 4.238 5 20 IIBD Cc1cc(=O)c(C(=O)N2Cc3ccccc3-c3ccccc32)nn1-c1ccccc1[N+](=O)[O-] 603817373 INHKOHDRUJYFSL-UHFFFAOYSA-N 438.443 4.277 5 20 IIBD C[C@H](NC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1)c1cccc([N+](=O)[O-])c1 603966849 INFDXIDUPIAIKI-OYHNWAKOSA-N 431.448 4.028 5 20 IIBD CCc1nc(CN2CCC(CNC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC2)cs1 609530541 IYRHKONREBKEOC-UHFFFAOYSA-N 428.514 4.002 5 20 IIBD COc1cc(C(=O)Nc2ccc(-c3nccc(C)n3)cc2)c([N+](=O)[O-])cc1OC(F)F 609646559 IMXPFKGYOLQBPL-UHFFFAOYSA-N 430.367 4.223 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)Nc2ccc(C3CC3)nn2)cc1[N+](=O)[O-] 609694540 LMRVXRRVLPCIEE-UHFFFAOYSA-N 434.477 4.467 5 20 IIBD O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 609698773 CGGMFEHJQSCLRW-MRXNPFEDSA-N 426.473 4.256 5 20 IIBD O=C(N[C@@H]1CCN(c2ccccc2OC(F)F)C1)c1cc2cc([N+](=O)[O-])ccc2s1 609725950 OIKSAEGRMFXAIB-CYBMUJFWSA-N 433.436 4.420 5 20 IIBD O=C(c1ccccc1)c1ccc(N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c([N+](=O)[O-])c1 610116467 AZDLZNQKBUBQSN-DHIUTWEWSA-N 445.519 4.121 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)cc2[N+](=O)[O-])n1 610192609 KSIXITBWUXYAFX-XYPHTWIQSA-N 433.555 4.444 5 20 IIBD NC(=O)N1CCc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3SC3CCCC3)ccc21 611215930 PGNOGNVZLYTNJN-UHFFFAOYSA-N 426.498 4.323 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](NC(C)=O)Cc2ccccc21 611474009 DWEMKKKBLUUWJC-QGZVFWFLSA-N 427.526 4.195 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@]3(C2)C(=O)Nc2ccccc23)cc1OC 614584089 ZLBHIHLQSPWNFD-FYSMJZIKSA-N 439.512 4.124 5 20 IIBD COc1ccc2c(c1)OCCN(C(=O)c1ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c1)C2 619819710 OROYSSAEGDQUOP-MRXNPFEDSA-N 448.479 4.206 5 20 IIBD CC[C@@H](OC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1cccc(Br)c1 727961448 FSFMRWXLUNIGNF-QGZVFWFLSA-N 431.246 4.246 5 20 IIBD CSc1nc(C)c(CCC(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)c(O)n1 728165015 GKPUHXCMRMEHFW-UHFFFAOYSA-N 436.921 4.150 5 20 IIBD O=C(COC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ccc2c(c1)OC1(CCCC1)O2 730644545 MKNXIARSRXJLTK-UHFFFAOYSA-N 432.816 4.085 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(CNC(=O)OC(C)(C)C)c2)cc1C 732525385 GTRUFUUSKSEDHM-UHFFFAOYSA-N 435.502 4.037 5 20 IIBD Cc1ccc(N(C)C(=O)c2ccc(I)c([N+](=O)[O-])c2)cc1Cl 733223854 INUSQPMOUGFFAB-UHFFFAOYSA-N 430.629 4.438 5 20 IIBD Cc1ccc(Br)cc1S(=O)(=O)N(C)Cc1ccc(Cl)cc1[N+](=O)[O-] 734834411 NVJRQECBJRAQAO-UHFFFAOYSA-N 433.711 4.140 5 20 IIBD COC(=O)c1ccc2nc(S[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)oc2c1 735233661 MEEGHGMLARJHNE-SECBINFHSA-N 435.845 4.295 5 20 IIBD CO[C@@H](c1ccc(Cl)cc1)[C@H](C)Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] 736298698 JJHSTLFHRWJPFU-MGPLVRAMSA-N 434.848 4.433 5 20 IIBD COc1cc(N2CCC(OC(=O)c3cccn3Cc3ccccc3)CC2)ccc1[N+](=O)[O-] 739385540 SNWSSYPDJRYMFH-UHFFFAOYSA-N 435.480 4.279 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2cccc(-c3nc(C)cs3)c2)c([N+](=O)[O-])c1 740407366 MWHRYUBXSCEMDQ-UHFFFAOYSA-N 441.465 4.221 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)c(F)c1 742276884 GBAJLTPUVRZXLE-UHFFFAOYSA-N 444.156 4.283 5 20 IIBD O=C(c1ccc(Cl)cc1)C1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 742396451 UNFBYKSSXVVVBA-UHFFFAOYSA-N 429.860 4.304 5 20 IIBD C[C@H](OC(=O)COc1cccc([N+](=O)[O-])c1)c1ccc(N(C)Cc2ccccn2)c(F)c1 744204273 PPWPBDAUCBTGGK-INIZCTEOSA-N 439.443 4.449 5 20 IIBD Cc1ccc(S(=O)(=O)c2ccc(COC(=O)c3cc(C)ccc3[N+](=O)[O-])cc2)cc1 745386012 MFGWILJFQMXULI-UHFFFAOYSA-N 425.462 4.401 5 20 IIBD Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)OCCn1ccc([N+](=O)[O-])n1 748109502 DEDWMQZXUPZPDF-UHFFFAOYSA-N 426.376 4.099 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)c(Cl)c2)c(N)c([N+](=O)[O-])c1 749354306 VOHVRKSIPZWPEJ-ZDUSSCGKSA-N 430.892 4.406 5 20 IIBD O=[N+]([O-])c1cccc([C@@H](O)CSc2nnc(-c3ccccc3F)n2Cc2ccco2)c1 749691195 ZAAKPLIMTWDQSS-IBGZPJMESA-N 440.456 4.459 5 20 IIBD Cc1cnc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)o1 750075607 YTGLMNWGPZBSDL-UHFFFAOYSA-N 434.496 4.280 5 20 IIBD COc1cc(C(=O)OCc2nc(C(F)(F)F)cs2)c([N+](=O)[O-])cc1OC(F)F 751626777 HYLYTTYMCHRRNA-UHFFFAOYSA-N 428.291 4.037 5 20 IIBD Cc1ccccc1OCCCN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754636967 UCLXLAFWZMEGGX-UHFFFAOYSA-N 425.254 4.346 5 20 IIBD C[C@H](C(=O)O[C@H](C)C(=O)Nc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1F 755059805 HBCLYBCPZFJSJO-WDEREUQCSA-N 439.237 4.170 5 20 IIBD COc1ccc([C@@H]2CCCCCN2C(=O)COC(=O)CCc2cccc([N+](=O)[O-])c2)cc1 756535405 KYYFXXBFOQRWKS-QFIPXVFZSA-N 440.496 4.223 5 20 IIBD CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC[C@H]1NC(=O)OC(C)(C)C 757037059 YZOSXVKEJXPOLB-LZLYRXPVSA-N 434.537 4.299 5 20 IIBD CCC(=O)c1cc(C(=O)OCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])ccc1F 757868684 WOAMQFJAQAUOHM-UHFFFAOYSA-N 427.331 4.294 5 20 IIBD CN(C)c1ccc(N(Cc2ccc[nH]2)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 757987403 XKMNBYWVUXEXQK-UHFFFAOYSA-N 433.512 4.436 5 20 IIBD COc1ccc(-c2cncc(C(=O)OCc3nc(-c4cccc([N+](=O)[O-])c4)no3)c2)cc1 758100584 AKTRZNPXPWOEKW-UHFFFAOYSA-N 432.392 4.072 5 20 IIBD O=C(CCn1ccc2cc(Cl)ccc21)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 758863999 CERUMTUAFJBLRJ-UHFFFAOYSA-N 426.816 4.386 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 763985742 SRGWMYWYYXYNJI-OAHLLOKOSA-N 437.562 4.426 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2ccc(C)c(C)c2)C[C@H]1C 764279066 JMNIUAWXOWWAQA-GOSISDBHSA-N 443.569 4.301 5 20 IIBD COc1cc(C(=O)O[C@H]2CCOc3ccccc32)c([N+](=O)[O-])cc1OCc1cscn1 764366025 OMFBQNHDDHMNMJ-SFHVURJKSA-N 442.449 4.320 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C 765075372 DMNQZOQRXQJNMA-GGPKGHCWSA-N 431.533 4.164 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCc3c(F)cc(F)cc3C2)c1=S 765147229 XZIRVKKLFYAXIZ-UHFFFAOYSA-N 431.468 4.303 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)cc1Cl 765650048 BMEDKRYRJHJZTR-QGZVFWFLSA-N 442.802 4.214 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(N[C@H]3CCN(c4ccc(Br)cc4)C3)CC2)cc1 765706600 OIAIOBQNXLBXII-SFHVURJKSA-N 445.361 4.195 5 20 IIBD CC(C)(C)OC(=O)N1CCC(CSCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 767220180 VPWIHIKWPIIPHH-UHFFFAOYSA-N 427.498 4.053 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)[C@@H](C)Oc2cccc3ccccc23)c([N+](=O)[O-])c1 769376411 BEZQTJCJXGFLNX-LSDHHAIUSA-N 438.436 4.094 5 20 IIBD COc1cccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1[N+](=O)[O-] 769607365 VVXHKCCHLCXUSC-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD C[C@H](OC(=O)c1cc(Br)ncc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F 769839900 QVOBYZQEVFFIFG-QMMMGPOBSA-N 441.188 4.415 5 20 IIBD Cc1noc(-c2ccccc2)c1NC(=O)c1cc([N+](=O)[O-])ccc1I 770027647 RDZJSUDMPSSMOY-UHFFFAOYSA-N 449.204 4.415 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccc(CO)c(F)c2)c2ccccc2)c([N+](=O)[O-])c1 773616276 ITVLIQWSXHPIHS-NRFANRHFSA-N 438.411 4.071 5 20 IIBD Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 773961584 HGMOWVZMUVZTMT-CQSZACIVSA-N 429.782 4.305 5 20 IIBD C[C@H](CCS(C)(=O)=O)OC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 774841640 YAEHFJIYHMXUCD-GFCCVEGCSA-N 443.930 4.379 5 20 IIBD COc1ccc2nc(Cl)c(C(=O)O[C@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cc2c1 775016382 XYKUBRZSFAAHNI-SNVBAGLBSA-N 447.806 4.128 5 20 IIBD COc1cccc([C@@H]2[C@H](C(=O)OCc3ccc(Cl)cc3[N+](=O)[O-])CC(=O)N2C2CC2)c1 776456010 NVNUGRQBRRPWLC-WIYYLYMNSA-N 444.871 4.052 5 20 IIBD CC[C@@H]1C[C@@H](C(=O)O[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CCO1 780150494 QVKIICHZOCWPJE-UEXGIBASSA-N 426.469 4.331 5 20 IIBD O=C(COC(=O)c1cccc([N+](=O)[O-])c1Br)c1cccc(C(F)(F)F)c1 781675852 YKVPOCYGDZOVAQ-UHFFFAOYSA-N 432.148 4.416 5 20 IIBD C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 784082084 FHWYCPZJUTXCSJ-STQMWFEESA-N 443.953 4.102 5 20 IIBD Cc1ccc(F)c(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)c1Br 785112972 UPCBAMCUFYVFJI-UHFFFAOYSA-N 426.194 4.028 5 20 IIBD COc1ccc(OCCOC(=O)c2cc(-c3cccnc3)nc3ccccc23)c([N+](=O)[O-])c1 785419944 QHWQDBKIRMIRHV-UHFFFAOYSA-N 445.431 4.449 5 20 IIBD Cc1cc(Br)ccc1NC(=O)COC(=O)Cc1ccc([N+](=O)[O-])cc1Cl 785942040 SAYFYQPPCJKNDK-UHFFFAOYSA-N 441.665 4.044 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)OCc1cccc(OCC(F)(F)F)c1 786784651 HNHZSAWXZOXGQL-UHFFFAOYSA-N 436.342 4.206 5 20 IIBD C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1nc(C(F)(F)F)cs1 787802392 LGBHRCNZQWXVEK-RXMQYKEDSA-N 442.188 4.463 5 20 IIBD O=[N+]([O-])c1ccc(COc2ccc(Oc3ncc(Br)cn3)cc2)c([N+](=O)[O-])c1 789589153 BOMGQBOUTUEAIZ-UHFFFAOYSA-N 447.201 4.427 5 20 IIBD COc1cc(C(=O)Oc2ccc(Oc3ncc(Br)cn3)cc2)ccc1[N+](=O)[O-] 789727066 NSQWBYRLULNUHG-UHFFFAOYSA-N 446.213 4.167 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccc(N2CCCC2=O)c(Cl)c1 790511236 BCSCSDSSUUTIOU-UHFFFAOYSA-N 426.231 4.349 5 20 IIBD CC(C)(C)OC(=O)CCc1cccc(NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 792391775 SWDBWRVACIAZQU-UHFFFAOYSA-N 447.875 4.100 5 20 IIBD Cc1nc(C)c([C@H](C)N(C)C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])s1 796235034 WNIJMZIJWZDAFZ-NSHDSACASA-N 441.351 4.086 5 20 IIBD Cc1cccnc1[C@@H](NC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])C(C)C 796488537 YZHAHFXSJUGIFM-SFHVURJKSA-N 435.322 4.010 5 20 IIBD Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 799248189 VGYWLTGSIBYODX-UHFFFAOYSA-N 440.891 4.096 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Cc1cc(Cl)nc(Cl)c1 806648097 PQFGEGVFTLAEJF-UHFFFAOYSA-N 426.075 4.033 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)CCSc1cccc(Cl)c1 808700677 JTKVCACMLVMTJX-LBPRGKRZSA-N 438.889 4.309 5 20 IIBD O=C(Nc1ncc(C2(O)CCCCC2)s1)c1ccc(Br)cc1[N+](=O)[O-] 809775530 PUUSWZKMBJYYRW-UHFFFAOYSA-N 426.292 4.218 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1cc(F)c(F)cc1I 813244214 RONULJSXFOJWIT-UHFFFAOYSA-N 438.555 4.383 5 20 IIBD Cc1cccc(NC(=O)[C@@H](OC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C(C)C)c1C 814482920 FRUZSBSJZUPJIB-FQEVSTJZSA-N 431.464 4.237 5 20 IIBD O=C(CCN1CCC2(CCN(Cc3ccccc3)CC2)C1)Nc1cc([N+](=O)[O-])ccc1F 814639800 FFKSLIJRYLPCJU-UHFFFAOYSA-N 440.519 4.051 5 20 IIBD COc1ccc(CCC(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1Cl 818174023 GPXQXWQHMPMPFA-UHFFFAOYSA-N 427.240 4.025 5 20 IIBD Cc1ccc(-n2ncc(C(=O)O[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c2C)cc1 900653736 ONVALRZRNXZGGR-OAHLLOKOSA-N 433.424 4.365 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]1c1nc(-c2cc(Br)cs2)no1 904397761 JQMWFOSKZKMTAM-SECBINFHSA-N 439.247 4.039 5 20 IIBD COC(=O)c1cccc(OCc2noc(-c3cc([N+](=O)[O-])ccc3N3CCCCC3)n2)c1 904615343 FFKNGUXNBPRTTL-UHFFFAOYSA-N 438.440 4.001 5 20 IIBD COc1cccc2cc(C(=O)N(Cc3nnc(-c4cccc([N+](=O)[O-])c4)o3)C(C)C)oc12 915135294 GERKJYRJDPVXDU-UHFFFAOYSA-N 436.424 4.450 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)cc1[N+](=O)[O-] 917782446 HECQRWSZINFUTA-UHFFFAOYSA-N 438.371 4.455 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Oc1cc(Cl)ccc1Cl 917846068 HJBFYMSDCCLHOZ-UHFFFAOYSA-N 427.059 4.432 5 20 IIBD O=C(CN1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] 918741178 UGRJVQQGBUBUCZ-DTORHVGOSA-N 433.736 4.249 5 20 IIBD CC(C)N(Cc1ccc(Br)cc1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 919953039 DLZSMIJCRLDMSB-UHFFFAOYSA-N 430.306 4.484 5 20 IIBD COc1cc(CNC2CCN(c3cccc(F)c3)CC2)c([N+](=O)[O-])cc1OCC(F)F 1116499141 XUWOYQUSAFOLBZ-UHFFFAOYSA-N 439.434 4.145 5 20 IIBD Cc1cc(CN2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)CC2)no1 1318252273 IQECSESIWXEQOG-UHFFFAOYSA-N 436.468 4.032 5 20 IIBD COc1ccc(CCc2nnc(COc3ccccc3[N+](=O)[O-])o2)cc1Br 1328230926 FBFFJOFFJFFCFC-UHFFFAOYSA-N 434.246 4.113 5 20 IIBD Cc1ccccc1C(F)(F)C(=O)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C 1332579391 OEGULCJLXTWZQO-UHFFFAOYSA-N 430.411 4.482 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Br)[C@H](O)Cc1cccc(C(F)(F)F)c1 1338735208 ILGBZLVTSJMXBB-OAHLLOKOSA-N 448.191 4.023 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)c3nccs3)CCC2)cc1 1785791785 HJOSRPMDYMAYRV-UHFFFAOYSA-N 436.493 4.042 5 20 IIBD Cc1cc(C)nc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])o4)CCC3)cc2)c1 1788349493 GUGYXXMJQOEHAS-UHFFFAOYSA-N 434.452 4.261 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccc[nH]4)CCC3)cc2)ncc1[N+](=O)[O-] 1788766479 VMAMMHCONUVNIS-UHFFFAOYSA-N 447.495 4.007 5 20 IIBD C[C@]1(C(=O)Nc2ccc(C3(NC(=O)c4cc(O)cc([N+](=O)[O-])c4)CCC3)cc2)CC1(F)F 1792248875 ZLISRKFOCFXLCG-HXUWFJFHSA-N 445.422 4.093 5 20 IIBD C[C@@H]1C[C@]1(C)C(=O)NC1(c2ccc(NC(=O)Cc3cc(F)ccc3[N+](=O)[O-])cc2)CCC1 1792310275 YBSGEXQSYUHWAJ-CMJOXMDJSA-N 439.487 4.457 5 20 IIBD C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1cccc([N+](=O)[O-])c1 1793943570 AKQJPRYQLMDOPK-IITNATTFSA-N 449.551 4.044 5 20 IIBD Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccco2)cc(Cl)cc1[N+](=O)[O-] 1794420550 ODVIKXDKCGVUMR-FBNKVDMNSA-N 443.887 4.115 5 20 IIBD Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3cccc([N+](=O)[O-])c3)[nH]n2)c1 1820531335 YDHGDBYQDPIAGF-OAQYLSRUSA-N 447.495 4.175 5 20 IIBD O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(NC(=O)c2cccs2)c1 9916589 MTMOHYNTKVFAHB-UHFFFAOYSA-N 444.900 4.404 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)CCOc1ccc(Br)cc1 15448730 LSTSDQFDOMZWOK-CYBMUJFWSA-N 447.289 4.479 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1ccc(N2CCCCCC2)cc1 18172454 VLJWXUOJKYKICB-UHFFFAOYSA-N 431.876 4.424 5 20 IIBD CCn1c(S[C@@H](C)C(=O)NCCc2ccccc2)nc2cc3ccccc3cc2c1=O 18467426 SXYRBTHOYOHUOV-KRWDZBQOSA-N 431.561 4.409 5 20 IIBD CCn1c(SCC(=O)N(C)Cc2ccc(F)cc2)nc2cc3ccccc3cc2c1=O 22178606 KIFOUZLBVGXCLG-UHFFFAOYSA-N 435.524 4.459 5 20 IIBD Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NCCNc1ccccc1[N+](=O)[O-] 24320483 ZRQBQWWRMHDTPB-UHFFFAOYSA-N 448.310 4.297 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3ccc(C(=O)N(C)C)cc3)cc2[N+](=O)[O-])n1 27224052 UTGYBPTXAAOGHW-UHFFFAOYSA-N 442.522 4.465 5 20 IIBD CCN(CC)[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccsc1 31984714 VBNFKCRCLSULOA-QHCPKHFHSA-N 433.577 4.416 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(NC(=O)c2ccc(Br)o2)c1 59274528 VTLSUHGTKDGQRU-UHFFFAOYSA-N 430.214 4.455 5 20 IIBD COc1ccc(NC(=O)c2nnc(CN(Cc3ccc([N+](=O)[O-])cc3)C(C)C)s2)cc1 63560033 DZEJCNJHSRJXFT-UHFFFAOYSA-N 441.513 4.118 5 20 IIBD COc1ccc(COc2cccc(F)c2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 63634829 SQBNLAUACBUTTO-UHFFFAOYSA-N 432.429 4.122 5 20 IIBD CN(C[C@@H]1CCCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1)C(=O)OC(C)(C)C 110007341 NYGQWBGOLDKDBJ-ZDUSSCGKSA-N 426.901 4.359 5 20 IIBD CS(=O)(=O)c1ccc(Nc2cccc(C[S@](=O)Cc3ccccc3)c2)c([N+](=O)[O-])c1 301318398 PROLVUFGMJGWDC-GDLZYMKVSA-N 444.534 4.191 5 20 IIBD COc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)cc1Br 301370474 SHRNRLSUCZWPBV-LLVKDONJSA-N 436.262 4.496 5 20 IIBD Cc1c(CNC(=O)c2ccc(Br)cc2Br)cccc1[N+](=O)[O-] 389600739 LOSZPJQFYDQEMO-UHFFFAOYSA-N 428.080 4.358 5 20 IIBD CC(C)(C(=O)N1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1)c1ccc([N+](=O)[O-])cc1 426617005 ZREIBCVSWWTEJK-GOSISDBHSA-N 435.480 4.040 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 427261511 YGJJEOPZNKYMLV-IBGZPJMESA-N 446.916 4.065 5 20 IIBD CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc([N+](=O)[O-])cc1OC 427513965 LZRSZMGNZOVHMM-UHFFFAOYSA-N 440.283 4.401 5 20 IIBD O=C(Nc1ccccc1C(=O)N1CC2(CCC2(F)F)C1)c1ccc([N+](=O)[O-])cc1Cl 427718332 LYCDNWLLKICACT-UHFFFAOYSA-N 435.814 4.372 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 429970563 WGJFTFIMPMPNQD-INIZCTEOSA-N 435.274 4.170 5 20 IIBD COc1ccc([C@@H]2CCCN2C(=O)c2cc(Br)cc([N+](=O)[O-])c2)c(OC)c1 431768737 MGKPSECBXSUXGY-KRWDZBQOSA-N 435.274 4.352 5 20 IIBD O=C(O)CCCN(Cc1ccccc1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 431793609 ZQDVVPWCINGMTH-UHFFFAOYSA-N 428.488 4.048 5 20 IIBD O=C(NCCNc1ccccc1[N+](=O)[O-])c1cc(C(F)(F)F)ccc1Br 432210255 LESFSFSLNPABHL-UHFFFAOYSA-N 432.196 4.218 5 20 IIBD Cc1cccc(NC(=O)CN(C)C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1C 435824706 IIKRKOUNMQOCRU-UHFFFAOYSA-N 449.457 4.287 5 20 IIBD O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436099049 DXIOLIJOHFTCBZ-HNNXBMFYSA-N 433.458 4.216 5 20 IIBD Cn1cnnc1Sc1ccc(-c2nc(-c3ccc(O)c4ccccc34)no2)cc1[N+](=O)[O-] 436619793 SKLPOXHESJUHAK-UHFFFAOYSA-N 446.448 4.450 5 20 IIBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(-c2cccc(C(F)(F)F)c2)cn1 440314225 QWEXPYQVPPAHSO-UHFFFAOYSA-N 444.369 4.044 5 20 IIBD COc1cc(CN2CCC[C@@H](c3nccn3C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 446854315 WUMJZQKAFPROGN-HXUWFJFHSA-N 436.512 4.296 5 20 IIBD CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 447034257 QCFWHFKPZHFISQ-UHFFFAOYSA-N 433.711 4.222 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N(Cc3ccccc3F)C3CC3)n2C[C@H]2CCOC2)c1 461572953 GQVMOOJMIDCZFK-MRXNPFEDSA-N 437.475 4.198 5 20 IIBD Cc1ccc(-c2nc(NC(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)sc2C)cc1 465034814 NNJFAENRUJWMEK-UHFFFAOYSA-N 425.466 4.288 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NC(c1ccc(F)cc1)c1ccc(F)cc1 465167536 JWYBHDKPXTXCGX-UHFFFAOYSA-N 440.402 4.093 5 20 IIBD C[C@@H](NC(=O)N1C[C@@H](CC(=O)N(C)C)c2cc(Cl)ccc21)c1cccc([N+](=O)[O-])c1 465644785 BLOVWMYDMOKFSY-UKRRQHHQSA-N 430.892 4.101 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1c(C)cccc1I 466506027 RKQFSFRWHSJIAW-UHFFFAOYSA-N 426.210 4.159 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 467996559 UXRVEVRIAUJAGE-UHFFFAOYSA-N 439.855 4.338 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CCc4c(F)cc(F)cc4[C@H]3C)cc2)c(C)c1[N+](=O)[O-] 468347652 ITYFYWFVJALMPN-CQSZACIVSA-N 440.450 4.494 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1 468622001 NOUOMBHGRUFGOA-YVEFUNNKSA-N 442.545 4.137 5 20 IIBD C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 472506461 WTJPWKMGVJRANX-GJZGRUSLSA-N 446.345 4.244 5 20 IIBD COc1ccc(C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2OC)c2ccc(OC)cc2)cc1 474284953 PWQBPABCMNMXGV-NRFANRHFSA-N 436.464 4.334 5 20 IIBD Cc1ccccc1OCc1nnc(SCc2c([N+](=O)[O-])ncn2C)n1-c1ccccc1 476504673 KACVBNMTQBVWTM-UHFFFAOYSA-N 436.497 4.089 5 20 IIBD CCCCc1nc(-c2ccc(Oc3ccc(S(=O)(=O)N(C)C)cc3[N+](=O)[O-])cc2)no1 477191644 WEVWZXCGPVQNKL-UHFFFAOYSA-N 446.485 4.030 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1 478513061 ZTRKPTIJDALWEP-UHFFFAOYSA-N 439.855 4.082 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CCN2CCCC2)cc1 484838437 VASQPXHDBFTFRW-UHFFFAOYSA-N 429.542 4.224 5 20 IIBD O=C(NCCOc1cccc(Br)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 485353161 ROFNCOVYPHXVOR-UHFFFAOYSA-N 434.290 4.110 5 20 IIBD CCOc1cc(C(=O)NCc2ccc(OC)c(OC3CCCC3)c2)c([N+](=O)[O-])cc1OC 485471503 POBQFLVKGIEQEW-UHFFFAOYSA-N 444.484 4.262 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N(CC(=O)N2CCCCC2)c2cccc(C)c2)c1 485987190 GGWWMQMMLKQNMJ-UHFFFAOYSA-N 427.526 4.284 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(C[S@@](=O)Cc3ccn(-c4ccc(F)cc4F)n3)co2)cc1 486025308 ZLFBMAUTCQHEMZ-HKBQPEDESA-N 444.419 4.163 5 20 IIBD Cc1ccc(C)c(-n2cnc3cc(C(=O)N4CCC(n5ccc([N+](=O)[O-])n5)CC4)ccc32)c1 487055748 BPUQSJYTHBXNLO-UHFFFAOYSA-N 444.495 4.224 5 20 IIBD COc1ccc(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)c(I)c1 487602660 DKVKRWBPVQMFGS-UHFFFAOYSA-N 444.250 4.182 5 20 IIBD COc1cccc(C2(NC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CCOCC2)c1F 487770189 LTSQJGWHXBWTOG-UHFFFAOYSA-N 430.476 4.476 5 20 IIBD CCn1c(S[C@@H](C(=O)N2C[C@@H](C)C[C@@H](C)C2)C(C)C)nnc1-c1ccc([N+](=O)[O-])cc1 489394110 UEPTZMWGGPTGBK-JTDSTZFVSA-N 445.589 4.494 5 20 IIBD CCn1c(S[C@@H](C(=O)N2CCC[C@@H](C)C2)C(C)C)nnc1-c1ccc([N+](=O)[O-])cc1 489410933 VGLSGTYDCNFTSS-CRAIPNDOSA-N 431.562 4.248 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C 490133841 VYAFIAKOKVOKCI-SUMWQHHRSA-N 444.431 4.073 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)c2ncccc12 490533165 CXUNFUVRZZKYHK-OAHLLOKOSA-N 449.941 4.352 5 20 IIBD COc1cc(CN2C[C@@H](C)O[C@H](c3ccsc3)C2)c([N+](=O)[O-])cc1OCC(F)F 490600228 ZYOCHOJCZXQDNF-XIKOKIGWSA-N 428.457 4.271 5 20 IIBD Cc1cc(C(=O)N2CCC(C)CC2)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C 491680549 UFXKELLXYPUKCI-UHFFFAOYSA-N 445.541 4.193 5 20 IIBD O=C(N[C@H](C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccccc1)c1ccccc1 493325707 YQCZROROXYPVCX-QFIPXVFZSA-N 441.447 4.095 5 20 IIBD CCc1nc2ccccc2n1C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 493944016 GUGMTHBOIWRTTG-UHFFFAOYSA-N 442.541 4.150 5 20 IIBD CCNC(=O)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)C(C)C 499356445 GRGAXPRIKMBYGT-SFHVURJKSA-N 435.933 4.290 5 20 IIBD CCc1c(C(=O)NCc2ccccc2[N+](=O)[O-])cnn1-c1ccc(Br)cc1 500778269 JKYDWNOZKXEQAH-UHFFFAOYSA-N 429.274 4.035 5 20 IIBD COc1ccc(-c2nc(C)c(C(=O)NCc3ccc(OC)c([N+](=O)[O-])c3)s2)c(F)c1 500801390 ODZKITOPEPKUDB-UHFFFAOYSA-N 431.445 4.113 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CSc1nncn1-c1cccc(Cl)c1 502009679 YANLFSSWQJAAPO-UHFFFAOYSA-N 445.932 4.358 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl 502540579 NHKQTNRMAHYSFD-UHFFFAOYSA-N 428.919 4.406 5 20 IIBD O=C(Nc1cccc(Cl)c1-n1cccn1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 502920472 QRNHICSJFFRZDK-UHFFFAOYSA-N 425.876 4.289 5 20 IIBD COc1cc(CCNC(=O)NC(C)(C)Cc2ccccc2Cl)c([N+](=O)[O-])cc1OC 502959084 WQVJSSSXLJACTF-UHFFFAOYSA-N 435.908 4.128 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 506342678 ZWLVAJIRJLPMJV-UHFFFAOYSA-N 446.488 4.050 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(F)c(Br)c2)cc1OC 507727244 VTLPZQLXUMELNC-SNVBAGLBSA-N 441.253 4.395 5 20 IIBD CS[C@@H](C)CN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 507878322 GLPDRQBENJEHCS-SJCJKPOMSA-N 438.347 4.378 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCc3ccccc3Cn3cncn3)c([N+](=O)[O-])c2)cc1 508791707 CCXRZMUNWLHIFT-UHFFFAOYSA-N 442.479 4.407 5 20 IIBD CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 509147483 UORQNXIQSRTEAU-FQEVSTJZSA-N 430.526 4.030 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@H](CC(F)(F)F)C(C)C 510373330 DYZZQGIKOFTMPB-GFCCVEGCSA-N 444.191 4.215 5 20 IIBD CC(C)C[C@H](CNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N(C)C 511083885 XVNXTMRTOQWQPC-HSZRJFAPSA-N 449.555 4.083 5 20 IIBD Cc1ccc2nc(COc3cccc(C(=O)N(C)CCc4cccc([N+](=O)[O-])c4)c3)cn2c1 513037819 OZOILOBDSNATLZ-UHFFFAOYSA-N 444.491 4.445 5 20 IIBD CS(=O)(=O)c1cccc(N2CCC(F)(c3ccccc3C(F)(F)F)CC2)c1[N+](=O)[O-] 513067514 GRHVOZYSLLTZAZ-UHFFFAOYSA-N 446.422 4.482 5 20 IIBD O=C1CC[C@@]2(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)Sc3ccccc3N12 514857365 KDYLHYGKYATCCN-FQEVSTJZSA-N 438.490 4.286 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 515872431 GDNPGHZTTGGVRM-AREMUKBSSA-N 440.499 4.193 5 20 IIBD CCOc1cc(NC(=O)C(=O)N[C@@H](c2ccccc2)C(C)(C)C)c([N+](=O)[O-])cc1OCC 515971303 MOJPJXYWLABOKR-FQEVSTJZSA-N 443.500 4.234 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)c1 516319883 GRIQTJVRMCYJMG-KRWDZBQOSA-N 438.267 4.154 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccnn1Cc1ccc(Cl)c(F)c1 518229834 ZBFOHOMBLLWQEO-UHFFFAOYSA-N 427.823 4.226 5 20 IIBD Cc1ncc2c(n1)CC[C@H](NCc1ccc(-c3ccc([N+](=O)[O-])cc3Br)o1)C2 518269681 OSVSCJLCBWHXPZ-AWEZNQCLSA-N 443.301 4.363 5 20 IIBD COc1cc(CNCC(C)(C)N2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F 521814717 TULZTNLFBHNBTI-AWEZNQCLSA-N 433.471 4.145 5 20 IIBD O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CC[C@H](C(F)(F)F)[C@H](CO)C1 521848355 XFBXPBSAWPQGRB-ZFWWWQNUSA-N 440.443 4.379 5 20 IIBD COC(=O)[C@@](C)(NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1)C1CC1 522886540 UQRDIUNGPNTFTC-NRFANRHFSA-N 448.859 4.121 5 20 IIBD COC(=O)[C@](C)(NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1)C1CC1 522886541 UQRDIUNGPNTFTC-OAQYLSRUSA-N 448.859 4.121 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)cc1[N+](=O)[O-] 523913554 SHOSRJRVAULNRR-QGZVFWFLSA-N 428.464 4.068 5 20 IIBD C[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccncc2)cs1 523951644 AMGSMWUWBDFGHN-GFCCVEGCSA-N 432.889 4.413 5 20 IIBD O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 525600259 OTUJGBQUJNDXCL-NHCUHLMSSA-N 443.525 4.094 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCC(OC(C)C)CC2)c([N+](=O)[O-])c1 530915632 FMLJLSLMKJHHCO-UHFFFAOYSA-N 447.557 4.204 5 20 IIBD COc1cccc(C2=CCN(C(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])CC2)c1 531453109 AUJCGPWPCSDMFD-UHFFFAOYSA-N 436.386 4.474 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(Oc2ccccc2Cl)CC1 533148072 OWFXRXWZRXLAEM-UHFFFAOYSA-N 433.892 4.129 5 20 IIBD COc1ccc(-c2nnc(NC(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)s2)cc1 534976586 PACOGGNRTOMDAY-UHFFFAOYSA-N 449.286 4.445 5 20 IIBD NC(=O)c1ccc(NCc2ccccc2)c(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1 535906166 LJUIQEINXHVCPL-UHFFFAOYSA-N 436.493 4.037 5 20 IIBD Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1C 536010871 CSPHJZWNKDIPDB-QGZVFWFLSA-N 445.903 4.125 5 20 IIBD CC1(C)CCC[C@H](c2noc([C@H]3CCCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)C3)n2)C1 536051243 AQDHHLHTDFDENM-HOTGVXAUSA-N 448.545 4.230 5 20 IIBD CCCc1ccc(-c2cc(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)n(CCO)n2)cc1 541797037 MSWKHBMIJYCXHP-OAHLLOKOSA-N 440.475 4.284 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC(CCCn2ccnc2)CC1 542167835 GMJIZFDPNMTODN-UHFFFAOYSA-N 428.536 4.070 5 20 IIBD C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 544093883 NLVUALXKDFAUPK-YJBOKZPZSA-N 433.961 4.367 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCc2c(Br)ccc(F)c2C1 544601403 DXRRIAWBHURYFG-UHFFFAOYSA-N 436.281 4.273 5 20 IIBD COc1cc(Br)c(Cc2noc(-c3ccc([N+](=O)[O-])s3)n2)cc1OC 544923749 VJJASAXDHMRKNV-UHFFFAOYSA-N 426.248 4.077 5 20 IIBD O=C(NCc1ccco1)c1cccc(-c2noc(Cc3ccc([N+](=O)[O-])cc3Cl)n2)c1 544947254 VVFSMQGPSGCPRE-UHFFFAOYSA-N 438.827 4.412 5 20 IIBD CCCc1c(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cnn1-c1cc(C)ccn1 545514925 YVQPTKQDWWXNKH-UHFFFAOYSA-N 442.907 4.454 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1noc(COc2ccc(F)cc2Br)n1 546380809 MAJZMWYLCOMJJZ-UHFFFAOYSA-N 437.225 4.113 5 20 IIBD CC(C)Sc1ccc([C@@H](C)NC(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 553130599 WRLRTWLZFBFPQD-MRXNPFEDSA-N 441.553 4.464 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](n2ncc3ccccc32)C1 556427852 VLVNDAOUJXNQNX-AWEZNQCLSA-N 429.274 4.103 5 20 IIBD Cn1ccnc1[C@@H](NCC1(c2cccc(Cl)c2)CCOCC1)c1cccc([N+](=O)[O-])c1 560527251 BXIPYSJLSOJISW-NRFANRHFSA-N 440.931 4.409 5 20 IIBD O=C(CCCc1ccc2ccccc2c1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 561678346 LUVZKYCQJCHKJD-UHFFFAOYSA-N 431.492 4.055 5 20 IIBD CC(=O)N1C[C@H]2[C@@H](NC(=O)c3ccc(SCCC(C)C)c([N+](=O)[O-])c3)CCC[C@H]2C1 561753415 RAMZKZYRPPTXHX-OTWHNJEPSA-N 433.574 4.110 5 20 IIBD COc1cc(CN2C[C@H](N3CCCC3)C[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 564306823 LXOUKHAISGCQIH-PGRDOPGGSA-N 425.529 4.241 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@@H](C)C2)c1 569941755 CVUCCSKHDYBJLY-HZPDHXFCSA-N 425.485 4.364 5 20 IIBD O=C(CN[C@H](c1cncc(Br)c1)C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] 570417674 RKEZNGVLAZSJHB-KRWDZBQOSA-N 439.697 4.085 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O 577025679 AGPYMKQSRQMQFJ-UHFFFAOYSA-N 446.385 4.337 5 20 IIBD CN(CCN1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1)Cc1ccccc1 591235487 CAAPTGWWEBNXQU-UHFFFAOYSA-N 438.575 4.278 5 20 IIBD COc1cc(CCNC(=O)CCOc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])cc1OC 603566005 CLBCOHPXTZBLSE-UHFFFAOYSA-N 443.283 4.047 5 20 IIBD COc1cc(CCNC(=O)N(Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)c([N+](=O)[O-])cc1OC 603801966 IPXAIVAPWREBJX-KBXCAEBGSA-N 443.500 4.245 5 20 IIBD COC[C@@H](C)n1c(SCCCOc2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O 603948122 UUQODHUOWZDCLZ-OAHLLOKOSA-N 429.498 4.073 5 20 IIBD COc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1NC(=O)c1ccc(Cl)cc1F 603997704 GZOWULNPCNEEGL-UHFFFAOYSA-N 433.779 4.494 5 20 IIBD O=C(Cc1csc(-c2cccc(Br)c2)n1)NCc1ccc([N+](=O)[O-])cc1 603999337 QBCRZNQURRGARN-UHFFFAOYSA-N 432.299 4.340 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)cc2)C[C@@H](C)O1 604022204 LLDYYRBPLPFVBU-HZPDHXFCSA-N 439.512 4.394 5 20 IIBD CN(Cc1ccccc1)CC1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 608974193 YQEVFDIEOIQGDD-UHFFFAOYSA-N 436.556 4.179 5 20 IIBD NC(=O)c1ccc(CSCCOc2ccc(Cl)cc2Br)c([N+](=O)[O-])c1 609235382 WEJKARWUDPRTMZ-UHFFFAOYSA-N 445.722 4.422 5 20 IIBD COc1ccc([C@H](NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)c2ccccc2)cc1 609490216 CPSQKFDRPFEKOE-HSZRJFAPSA-N 429.432 4.377 5 20 IIBD COc1cc(CCNC(=O)[C@H](C)Cc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])cc1OC 609985828 OFVLLCRCEKVHLA-CYBMUJFWSA-N 440.418 4.168 5 20 IIBD COCC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 610151056 MFMQJCONHLGEQD-AWEZNQCLSA-N 437.290 4.200 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1CCO[C@@H]([C@@H]2CCCO2)C1 613400908 BBDYJHJDFNEEPO-RBUKOAKNSA-N 448.928 4.419 5 20 IIBD O=[N+]([O-])c1cc2c(cc1/C=C\c1nc(O)c3cc(Br)sc3n1)OCCO2 619472231 VKKMQWMMWUKUND-UPHRSURJSA-N 436.243 4.009 5 20 IIBD C[C@@H](OC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 725936986 NGGSDYJOHYFGPZ-CHWSQXEVSA-N 432.423 4.175 5 20 IIBD O=C(CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)NCCCN1CCOCC1 727766618 ZEQUXONHWWZIGA-UHFFFAOYSA-N 428.532 4.385 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 727984884 AFVULJWPMILDRP-GOSISDBHSA-N 431.489 4.185 5 20 IIBD CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])c2ccccc2C1 728003597 ZIXWXOWCIGEIDQ-UHFFFAOYSA-N 433.411 4.271 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)[C@H]1CCOc2ccccc21)c1cccc([N+](=O)[O-])c1 728188885 RVDVKVJHKRFXMY-NQIIRXRSSA-N 438.480 4.089 5 20 IIBD C[C@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N1c2ccccc2C[C@H]1C 728341415 XXJXLLZVNLXCOI-KGLIPLIRSA-N 437.477 4.241 5 20 IIBD CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1cc2ccccc2c2cccnc12 729398357 BBPDYDRCNCXGIO-UHFFFAOYSA-N 448.567 4.013 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)O[C@@H](c1ccc(Cl)cc1)c1cccnc1 730430503 QEZUJCWSXBUQLV-NRFANRHFSA-N 439.855 4.096 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(Br)cc1 730645775 QUOAPWPKYSJWHD-SNVBAGLBSA-N 441.665 4.045 5 20 IIBD CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2cnc(C(C)(C)C)s2)NC(=S)N1C 731432404 ULDCNISTPSOQKH-INIZCTEOSA-N 445.570 4.123 5 20 IIBD COC(=O)[C@@H](OC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1cccc(Cl)c1 733819718 PFJQVNQCVALQQV-HNNXBMFYSA-N 447.749 4.260 5 20 IIBD COc1ccc(CSCC(=O)OCc2cc([N+](=O)[O-])ccc2Cl)cc1[N+](=O)[O-] 734779870 KSWJDLWXYGJIGE-UHFFFAOYSA-N 426.834 4.142 5 20 IIBD CCCOc1cc(NC(=O)N[C@@H]2CCCc3nc(C)ncc32)c([N+](=O)[O-])cc1OCCC 734927136 HPFOPSJIKQIPNU-QGZVFWFLSA-N 443.504 4.470 5 20 IIBD COC(=O)c1cc(Cl)cc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 736050529 BRBBJLXBHSZICT-UHFFFAOYSA-N 432.738 4.228 5 20 IIBD C[C@H](OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(=O)Nc1ccccc1Br 736876773 QXBVPGGZHDXOHC-VIFPVBQESA-N 427.638 4.195 5 20 IIBD COc1cc(C(=O)OC[C@H]2CCC(=O)N(C)[C@@H]2c2cccc(Cl)c2)ccc1[N+](=O)[O-] 740605138 QBFPAGXUWMBZLN-FOIQADDNSA-N 432.860 4.023 5 20 IIBD O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 740943718 JGCPVSJKJRSNBP-OAHLLOKOSA-N 438.292 4.489 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N(C)CC2(c3ccc(Br)cc3)CC2)cc1[N+](=O)[O-] 741199717 FTLPHTXBQSKLCT-UHFFFAOYSA-N 448.273 4.378 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 742511660 CRWGUMNMFAEFKU-IBGZPJMESA-N 449.573 4.325 5 20 IIBD Cc1cc(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c2cccnc2c1C 743047759 BNLMODGGNCTOAD-UHFFFAOYSA-N 436.287 4.323 5 20 IIBD Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 747634020 BMZPCIOSUGIIMT-RXVVDRJESA-N 434.521 4.475 5 20 IIBD C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H](O)c1c(F)cccc1Cl 748394184 MRIXNDZLLGTCEZ-VXJOIVPMSA-N 431.645 4.002 5 20 IIBD CS(=O)(=O)c1ccc(Cl)c(C(=O)Oc2ccc(Cc3ccccc3)cc2[N+](=O)[O-])c1 749068686 VRZDPQFSBJTVHF-UHFFFAOYSA-N 445.880 4.462 5 20 IIBD C[C@@H](OC(=O)c1ccnc(Oc2ccccc2)c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 749290000 CTRJPZOXYJILTI-CYBMUJFWSA-N 425.372 4.105 5 20 IIBD O=C(COC(=O)c1ccnc(Oc2ccccc2)c1)Nc1ccc(Cl)cc1[N+](=O)[O-] 749293571 ULIZWKGNARRWFV-UHFFFAOYSA-N 427.800 4.231 5 20 IIBD C[C@@H](OC(=O)[C@H]1CCCN1Cc1ccc(F)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 750504918 UIOZYKXLKCVFGW-AUUYWEPGSA-N 440.431 4.053 5 20 IIBD Cc1c(C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c(=O)oc2ccccc12 750600372 HKWQMIOUGSKMDJ-UHFFFAOYSA-N 444.399 4.481 5 20 IIBD COc1cc(/C=C\c2ccnc(-c3cccc([N+](=O)[O-])c3)[n+]2[O-])ccc1OCC(F)(F)F 750904990 KLLSHVBZECDPMU-ALCCZGGFSA-N 447.369 4.410 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1ccc2nc(C3CC3)oc2c1 751141995 JJLJDQYLGQDEAK-UHFFFAOYSA-N 438.259 4.177 5 20 IIBD Cc1ccccc1[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2I)C1 751155339 ZAQWQKIGZREZPQ-ZDUSSCGKSA-N 436.249 4.138 5 20 IIBD CCN(C(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)c1ccccc1 751691608 KUDLOBLJZOXNNA-LLVKDONJSA-N 439.237 4.095 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Cl)c(Br)c1 753427550 APRZMDKAFPKHOY-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)c1cc(F)cc([N+](=O)[O-])c1Br 754988708 PSRSLXLLQIIOFY-UGSOOPFHSA-N 437.265 4.394 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1cccc([N+](=O)[O-])c1 755268845 VQYSJKMHLCULRQ-VQTJNVASSA-N 431.533 4.308 5 20 IIBD C[C@H](C(=O)OC[C@H]1CC(=O)N(C)[C@H]1c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1F 755693583 AOZRKKVDPNJHIP-HKMRUAMVSA-N 434.851 4.254 5 20 IIBD C[C@@H](NC(=O)Nc1cnc(Br)c(Br)c1)c1cccc([N+](=O)[O-])c1 758273893 QJQXSABQUILWGR-MRVPVSSYSA-N 444.083 4.398 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Oc2cccc(NC(=O)c3cccs3)c2)c1 758473640 RYVMIPFRPHFCCJ-UHFFFAOYSA-N 432.479 4.293 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 759084404 IZIDVTSECKFCRJ-SNVBAGLBSA-N 447.211 4.050 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)[C@H](C)CC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 759844687 HGBZAZACBDLVGV-OLZOCXBDSA-N 448.859 4.036 5 20 IIBD CCN(C(=O)c1cc([N+](=O)[O-])ccc1Br)[C@@H]1CCN(Cc2ccccc2)C1 760658143 RPJCPYJHZPZVQJ-QGZVFWFLSA-N 432.318 4.094 5 20 IIBD C[C@H](OC(=O)c1ccc(Cl)cc1Br)C(=O)Nc1ccc([N+](=O)[O-])cc1 761281486 GJPHBNOSUXHWJO-VIFPVBQESA-N 427.638 4.195 5 20 IIBD O=[N+]([O-])c1ccc(CCc2nc(Cc3nc4cc(F)ccc4s3)no2)c([N+](=O)[O-])c1 762032465 LRCJCIVZQBKWFQ-UHFFFAOYSA-N 429.389 4.011 5 20 IIBD Cc1ccc(NC(=O)Cc2nc(COC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)cs2)cc1 763401689 LCJJZHHNYYFLPQ-HNNXBMFYSA-N 439.493 4.388 5 20 IIBD O=[N+]([O-])c1ccc(Oc2ccc(CNC(=S)NCc3ccon3)cc2F)c(Cl)c1 764473880 HNYNIABPLKDNBH-UHFFFAOYSA-N 436.852 4.332 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 765061087 AXOZWEQMXLVCOO-OAHLLOKOSA-N 425.397 4.470 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 765609868 MEBGXFRXSLMTNG-GGPKGHCWSA-N 433.549 4.315 5 20 IIBD O=C(O[C@@H]1CCOC2(CCOCC2)C1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 765695879 URKBKHJXPQXHBX-LJQANCHMSA-N 426.469 4.092 5 20 IIBD O=C(OCc1csc(-c2cccs2)n1)c1cc(Br)ncc1[N+](=O)[O-] 769835847 WVNINCAGOJUTPU-UHFFFAOYSA-N 426.273 4.294 5 20 IIBD CN(C)CC1CCN(c2ccc(NCc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)cc2)CC1 770596281 XOOZTOUBCCEIFF-UHFFFAOYSA-N 448.571 4.385 5 20 IIBD CCSCc1cc(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)no1 771231478 NXDSARDMNWFURL-INIZCTEOSA-N 447.513 4.078 5 20 IIBD COc1c(C)cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1C 773650088 CYPNVSBYSPASGI-UHFFFAOYSA-N 426.347 4.035 5 20 IIBD C[C@H](NCC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1)c1cccc([N+](=O)[O-])c1 775191317 GHVHEPUDADEGRP-ROUUACIJSA-N 446.507 4.375 5 20 IIBD O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCC(C(=O)C(F)(F)F)CC1 775438607 CRZZPXWYRWEJBQ-UHFFFAOYSA-N 435.402 4.191 5 20 IIBD Cc1ccc(N2C[C@@H](C(=O)O[C@H](c3cccnc3)c3ccccc3[N+](=O)[O-])CC2=O)cc1F 776137843 NWACYCSRXLQFAE-GAJHUEQPSA-N 449.438 4.123 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1c[nH]nc1-c1cc2ccccc2o1 781300477 KGIQUTJZEYJLFQ-UHFFFAOYSA-N 431.364 4.138 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N(CCc1ccc(Cl)cc1)CC1CC1 784894566 ANPLFDFWRBEYEE-UHFFFAOYSA-N 436.295 4.321 5 20 IIBD Cc1cncc(COC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c1 785654761 KFPMOGLNKIEMIM-UHFFFAOYSA-N 428.448 4.437 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1 785961086 ANBVVBKSCZYFBP-UHFFFAOYSA-N 426.473 4.074 5 20 IIBD CC(C)(C)c1noc(COc2ccc(OCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)n1 789591908 QWVUKGKSXZDKDY-UHFFFAOYSA-N 428.401 4.342 5 20 IIBD C[C@H](OC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H]1c1cccs1 790745952 PBBWSYUVNAQXQI-XHDPSFHLSA-N 440.880 4.287 5 20 IIBD CN(Cc1ccc(OC(F)F)cc1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 791417625 HFFYVKYXHQERBT-UHFFFAOYSA-N 441.239 4.324 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c(C)c1 792473676 QCCYVFWNBUFPES-CYBMUJFWSA-N 435.274 4.467 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)cc1[N+](=O)[O-] 792981653 BWPNECZNFKLHSN-NRFANRHFSA-N 439.512 4.115 5 20 IIBD Cc1ccc(C)c(NC(=O)[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc2)c1 794682842 YDBRHFWKFBHDBP-OAQYLSRUSA-N 448.435 4.230 5 20 IIBD CCCCCCNC(=O)[C@H]1CCCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 798284897 NMDJTPTUZQOTNZ-IBGZPJMESA-N 438.528 4.206 5 20 IIBD C[C@H](OC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 798785881 XSLJYIHPSVGYAR-MNOVXSKESA-N 428.338 4.427 5 20 IIBD COCc1nc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)c(-c2ccccc2)s1 799594636 GIIGBICVZHTWNW-UHFFFAOYSA-N 442.449 4.088 5 20 IIBD COc1ccc(C2(CNC(=O)C(=O)Nc3c(F)ccc([N+](=O)[O-])c3C)CCCCC2)cc1 800600217 OKZNXGPXIBIUOB-UHFFFAOYSA-N 443.475 4.008 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)Nc1cccc(OCCc2ccccc2)c1 800627663 OSDCWFRQNGLLLZ-UHFFFAOYSA-N 437.427 4.241 5 20 IIBD O=C1CCCN1C[C@H](NCc1ccc([N+](=O)[O-])c(F)c1)c1cccc(C(F)(F)F)c1 801527980 QFAROVAIQOGJDO-KRWDZBQOSA-N 425.382 4.206 5 20 IIBD CC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC)CC[C@H]1NC(=O)OC(C)(C)C 801917354 ZZYDNOHCDOQRDA-MAUKXSAKSA-N 444.536 4.003 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1nc2ccccc2cc1Br 808703021 GXWYAHYOCZWJAZ-UHFFFAOYSA-N 444.241 4.009 5 20 IIBD COc1ccc(C)cc1C1(CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCOCC1 809915822 SBXSNQORIAFQSO-UHFFFAOYSA-N 433.892 4.435 5 20 IIBD CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810360042 BVQZJAKPHMRMKZ-WFASDCNBSA-N 426.311 4.017 5 20 IIBD O=C(CCCn1c(=O)oc2ccccc21)OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811069535 TXMNDRRCTLDXCJ-UHFFFAOYSA-N 425.224 4.333 5 20 IIBD CC(=O)N1CCN(Cc2cccc(NCc3cc(Cl)cc(Cl)c3[N+](=O)[O-])c2)CC1 811493987 PVROFFQJVGNKER-UHFFFAOYSA-N 437.327 4.178 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccc(C(F)(F)F)cc1 812582350 OOGRKVJEQRYYMG-UHFFFAOYSA-N 432.148 4.416 5 20 IIBD Cc1cc(Cl)c(C(=O)OCC(=O)Cc2ccccc2Br)cc1[N+](=O)[O-] 815405484 XXJWUWFKIWFOOQ-UHFFFAOYSA-N 426.650 4.288 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1ccc(Cl)nn1 815439220 HJMAZJGBJYYLKB-QGZVFWFLSA-N 447.234 4.228 5 20 IIBD NC(=O)c1cccc(COC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)c1 914890188 VXGOORSSJZQKJA-UHFFFAOYSA-N 439.855 4.316 5 20 IIBD Cc1nc(Cc2ccc(F)cc2)sc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 915399828 VQFTVURFMQSXEG-ZDUSSCGKSA-N 443.456 4.274 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 916428802 JIXXUDNEDXNEOX-CQSZACIVSA-N 441.484 4.074 5 20 IIBD O=C1N[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])s2)Nc2ccc(N3CCOCC3)cc21 917499257 ADTCLIWUXPNADN-NRFANRHFSA-N 436.493 4.014 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)N(Cn1nc(-c3cccs3)n(C[C@@H]3CCCO3)c1=S)CC2 919948118 UCBOINQLRHGQAF-INIZCTEOSA-N 443.554 4.250 5 20 IIBD O=C(c1csc(Cc2ccc(Cl)cc2)n1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 1115843168 RYVDHKIKOVJLRM-UHFFFAOYSA-N 442.928 4.258 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2c2nnc([C@@H](C)CN3CCC(C)CC3)o2)ccc1[N+](=O)[O-] 1117250677 LYLYTMGGPVXSIC-FXAWDEMLSA-N 441.532 4.099 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ncnc3scc(-c4ccccc4)c23)cc([N+](=O)[O-])c1 1117777606 WTAHMOKEZUDHJT-UHFFFAOYSA-N 434.433 4.305 5 20 IIBD COc1cc(Br)c(OC)c(C(=O)OCc2ccc(Cl)cc2[N+](=O)[O-])c1 1318642331 FUPALGWIPWMMTB-UHFFFAOYSA-N 430.638 4.385 5 20 IIBD Cn1ccnc1CCNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 1347515837 ZFXCDQOLUPKXOM-SAPNQHFASA-N 447.520 4.228 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1)c1ccc(Cl)cn1 1785750540 KJPSTAODAWJIQT-UHFFFAOYSA-N 440.843 4.298 5 20 IIBD Cc1noc(C)c1C(=O)NC1(c2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)cc2)CCC1 1785792425 ZZNNCXYVKVXECG-UHFFFAOYSA-N 448.479 4.190 5 20 IIBD COc1cc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@H]4C4CC4)cc3)CCC2)ccc1[N+](=O)[O-] 1786060067 QGMJIRXATCIKLZ-VQTJNVASSA-N 449.507 4.397 5 20 IIBD CC(C)CC(=O)NC1(c2ccc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCC4)cc2)CCC1 1790046400 DSEKELGCZIYFEF-UHFFFAOYSA-N 437.496 4.324 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 1792398648 UBGKZMYGZBITEW-UIFYRBHJSA-N 429.517 4.046 5 20 IIBD CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1 1823615867 ZAMKUDHMYLHQNV-HXUWFJFHSA-N 439.512 4.297 5 20 IIBD C[C@@H]1CCC[C@H]1C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1828478138 CSXQHFFZCDQWCM-YSZBQJHXSA-N 441.572 4.193 5 20 IIBD C[C@@H]1C[C@@]1(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830224820 VVLCDGCTRWPNRU-ZNRXUEPQSA-N 431.508 4.013 5 20 IIBD O=C([C@H]1CC=CCC1)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830498706 FPTFPEVUJCPJDW-PGRDOPGGSA-N 443.519 4.324 5 20 IIBD COc1ccc(Cc2nnc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)o2)cc1 11648433 SMGVVIVTDVADNS-NSHDSACASA-N 448.888 4.350 5 20 IIBD O=C(Nc1nc(-c2ccccc2Cl)cs1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 14375387 VHXMGBMAUYEMFT-UHFFFAOYSA-N 444.900 4.461 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 16142817 UUTXIHZTNUVTEX-INIZCTEOSA-N 427.526 4.018 5 20 IIBD CC(=O)Nc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2Cl)c(C(F)(F)F)c1 22555934 LXKSMTZSGLMCLL-UHFFFAOYSA-N 431.754 4.243 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2cccc(OC3CCCC3)c2)cc1[N+](=O)[O-] 29069076 AHLUAHICTIMBOT-UHFFFAOYSA-N 439.497 4.448 5 20 IIBD O=C(Nc1ccc(Cl)cn1)c1cc(C(=O)Nc2ccc(Cl)cn2)cc([N+](=O)[O-])c1 33547857 SYZKJVMVRDAGOT-UHFFFAOYSA-N 432.223 4.196 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1nn(-c2ccccc2)c2c1CCC2 59580863 JPROJNPSXCYYPH-UHFFFAOYSA-N 448.526 4.146 5 20 IIBD O=C(Nc1nnc(SCc2cccs2)s1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 63097337 ZZZBQTLNDPNVFU-UHFFFAOYSA-N 444.523 4.238 5 20 IIBD CN(C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccc(C(C)(C)C)cc1 72012382 CIANFADWKDIWDJ-UHFFFAOYSA-N 425.514 4.449 5 20 IIBD CCCOc1cc(NC(=O)c2ccc(-n3cccn3)nc2)c([N+](=O)[O-])cc1OCCC 105665596 BRZAMOYDGSGRBG-UHFFFAOYSA-N 425.445 4.005 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@@H](C)N2CCc3ccccc32)cc1[N+](=O)[O-])c1ccccn1 195607309 PEBPFLBEGSQPLL-MSOLQXFVSA-N 445.523 4.344 5 20 IIBD CSc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1[N+](=O)[O-] 195635712 ZQWGJOREPCUJFA-UHFFFAOYSA-N 441.431 4.424 5 20 IIBD Cc1occc1-c1cc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)n(CCO)n1 237686830 MPVFLDYUSOYUDT-UHFFFAOYSA-N 425.470 4.088 5 20 IIBD O=C(O)c1cccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 238221215 OJNLJLRRLATZAW-UHFFFAOYSA-N 437.374 4.167 5 20 IIBD COc1ccc([C@H]2CCCN2c2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)cc1 301186932 PSPFAYQGULQUHR-GOSISDBHSA-N 426.860 4.144 5 20 IIBD O=C(c1ccc(N2CC=C(c3ccccc3Cl)CC2)c([N+](=O)[O-])c1)N1CCOCC1 301929358 NEFGXHQZTXOEAC-UHFFFAOYSA-N 427.888 4.014 5 20 IIBD Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 302803230 DLNYKLJPLSRRCI-ZDUSSCGKSA-N 443.887 4.375 5 20 IIBD CCC[C@H](NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 303199592 YYJURUXPHCVARN-UGSOOPFHSA-N 437.418 4.390 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@H](c2ccco2)N(C)C)cc1 409486330 RBKBFINRLWLFAE-LJQANCHMSA-N 425.441 4.021 5 20 IIBD CC[C@@H](Cc1ccccc1)N(C)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C 430318152 KAVRVRIJQHLIOC-INIZCTEOSA-N 448.317 4.084 5 20 IIBD CCCOc1cccc(NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1 430356719 UZDYNIKAYHOFFL-UHFFFAOYSA-N 436.262 4.032 5 20 IIBD COc1cc(C(=O)N[C@@H]2CCC[C@@H]2OCc2ccccc2)c([N+](=O)[O-])cc1OC(F)F 430864413 SXUANZYSRRLOOU-WBVHZDCISA-N 436.411 4.073 5 20 IIBD O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1ccc(Br)cc1[N+](=O)[O-] 430923488 FEPCQZUQHMFPSR-UHFFFAOYSA-N 442.273 4.204 5 20 IIBD COC(=O)c1cc(NC(=O)CSc2ccccc2[N+](=O)[O-])cc(Br)c1F 432369728 WSAHNVDQEZABBF-UHFFFAOYSA-N 443.250 4.014 5 20 IIBD O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N(CCn1ccnc1)Cc1cccc(Cl)c1 436007937 ORVPJESGHVNWFU-UHFFFAOYSA-N 439.903 4.362 5 20 IIBD COc1ccc(OC(F)F)c(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 438800272 FJFMQEZEXYTMPT-UHFFFAOYSA-N 443.211 4.312 5 20 IIBD Cc1cc(N2CCNC2=O)ccc1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 441502137 PRYOKBGNAJCMKG-UHFFFAOYSA-N 445.479 4.297 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cc(F)c(F)cc1I 446043148 AOZGLESVOYMBAH-UHFFFAOYSA-N 432.164 4.049 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2ccc(F)cc2F)nn1C 447654438 XYBVBXSTWMGZBC-UHFFFAOYSA-N 448.451 4.264 5 20 IIBD CO[C@H]1CCOc2c(NC(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)cccc21 448046976 CRQNATJGBJPQQA-INIZCTEOSA-N 425.363 4.405 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCC[C@H]2Oc2ccccc2C)cc1OC 448192539 YKHVRCADOJAOKJ-YLJYHZDGSA-N 428.485 4.431 5 20 IIBD Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 461738776 ULISVMNHLMUDBB-BRRNQIAESA-N 447.900 4.488 5 20 IIBD Cc1cc(Cl)ccc1NC(=O)[C@H](C)[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 461738777 ULISVMNHLMUDBB-FZPQWHJUSA-N 447.900 4.488 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@](CO)(Cc2ccccc2)C1 462894756 JIQKCPZVVAYUEE-NRFANRHFSA-N 447.329 4.123 5 20 IIBD NC(=O)[C@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccc(F)cc1 464344257 TZJVOHSQDBBSAX-LJQANCHMSA-N 443.818 4.136 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C1(S(=O)(=O)c2cc(C)ccc2C)CCCC1 464722990 KOPXXBPCJHKKQE-UHFFFAOYSA-N 430.526 4.499 5 20 IIBD CNC(=O)[C@@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 466539525 LTDRWPBROKXDMM-HZPDHXFCSA-N 433.917 4.044 5 20 IIBD Cc1cc(-c2noc([C@H](C)NC(=O)c3ccc([N+](=O)[O-])cc3Br)n2)ccc1F 472414274 LPOZJKIXHJMROU-JTQLQIEISA-N 449.236 4.346 5 20 IIBD COc1ccccc1-c1ccc([C@@H](C)NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1 472605548 IVSKEYMRWDBULB-CQSZACIVSA-N 437.427 4.225 5 20 IIBD O=C(NCc1ccc(COCC(F)(F)F)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 477212151 AKBYRPCBMSFZFG-UHFFFAOYSA-N 437.418 4.204 5 20 IIBD COc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)cc([N+](=O)[O-])c1C 478692732 HHOGQRWHWGVXRR-UHFFFAOYSA-N 444.440 4.136 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 479233755 HJFKKTZWYXHHJT-GOSISDBHSA-N 449.232 4.456 5 20 IIBD CCC(=O)c1ccc(Sc2nnc(N3CCCC3)n2Cc2ccco2)c([N+](=O)[O-])c1 479934324 WBUGVZOACLRIEH-UHFFFAOYSA-N 427.486 4.172 5 20 IIBD CCCN(CCC)C(=O)c1cccc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)c1 481940566 BDNGPLVQAJELOA-UHFFFAOYSA-N 441.484 4.271 5 20 IIBD CCC[C@@H](NC1CCN(C(=O)Cc2ccccc2OC)CC1)c1cccc([N+](=O)[O-])c1 482113112 XJCOHHOTCMKXQH-JOCHJYFZSA-N 425.529 4.268 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(OCC(=O)Nc2c(Cl)cccc2C(F)(F)F)c1 482807374 VECLLZDZHHWVSY-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD COC(=O)CSCc1cccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 485385652 SHTOFGMOCPMXRQ-UHFFFAOYSA-N 446.528 4.200 5 20 IIBD CCOc1cc(C(=O)N(C)CCCc2cc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])cc1OC 486685917 GNGBSPYIIHXBID-UHFFFAOYSA-N 438.484 4.097 5 20 IIBD O=C(Cc1ccc(Br)c(F)c1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 486728196 OZYLSEBIRGAPJM-UHFFFAOYSA-N 435.171 4.374 5 20 IIBD COC(=O)[C@@H]1CC12CCN(C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)CC2 486806278 XFAHJBHCYKCYNY-SFHVURJKSA-N 426.494 4.161 5 20 IIBD CC(C)(NC(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1)c1ccccc1[N+](=O)[O-] 489090403 VFCZWLSTGVRYSQ-CQSZACIVSA-N 434.443 4.009 5 20 IIBD COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] 490769828 MKPQNQTYJNDPGV-INIZCTEOSA-N 427.682 4.470 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3ccc(I)cc3s2)c1 491080062 RUXISWCPJBGUSL-UHFFFAOYSA-N 439.234 4.370 5 20 IIBD CCOc1cccc(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1OC(F)F 495042339 WIBIUFPPPRUXAW-UHFFFAOYSA-N 435.427 4.469 5 20 IIBD O=C(c1cn(-c2cccc(C(F)(F)F)c2)nn1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 498149214 FTVUCPVUGKUMSH-SFHVURJKSA-N 449.414 4.082 5 20 IIBD CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 498293533 VLPZUOWRTDHKMQ-UHFFFAOYSA-N 427.848 4.250 5 20 IIBD COc1cc(CNc2cccc3c(=O)n(C)ccc23)c([N+](=O)[O-])cc1OCC(F)(F)F 500450143 ZNOPEVDFHXNYLM-UHFFFAOYSA-N 437.374 4.009 5 20 IIBD Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 500985048 WGGPEMVHIOERBW-FQEVSTJZSA-N 439.447 4.142 5 20 IIBD COc1ccc([C@H]2C[C@H](NC(=O)CSCc3ccc(OC)c([N+](=O)[O-])c3)C2)cc1F 501327035 ARQSVAGGKTXLNN-WKILWMFISA-N 434.489 4.047 5 20 IIBD Cc1ccc(NC(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c(OCc2ccccc2)c1 503298038 AOFRLEAJJSKPAO-UHFFFAOYSA-N 433.464 4.079 5 20 IIBD CCOC(=O)c1cc(C(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)cc([N+](=O)[O-])c1 503326497 SVLZMUGAWORLRP-UHFFFAOYSA-N 439.399 4.028 5 20 IIBD NC(=O)N[C@@H](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cccc(Oc2ccccc2)c1 504987487 ZOONICHQJMDHBJ-FQEVSTJZSA-N 445.435 4.389 5 20 IIBD O=C1C[C@H](c2nc(-c3cccc([N+](=O)[O-])c3)no2)CN1Cc1cccc(C(F)(F)F)c1 505044905 RUHNDALPWROQEW-AWEZNQCLSA-N 432.358 4.180 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 506369505 MGJHGJMWDCQNKV-UHFFFAOYSA-N 439.855 4.338 5 20 IIBD Cc1cc(OCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c(Cl)cc1[N+](=O)[O-] 506559046 BXBOGUMDUHVYQR-INIZCTEOSA-N 432.860 4.070 5 20 IIBD COc1cc(CN2CC[C@H](COc3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F 507712211 BJXREHGDTXMLFX-HNNXBMFYSA-N 440.418 4.445 5 20 IIBD CCOc1ccc(N(CC)C(=O)c2ccc([N+](=O)[O-])cc2I)cc1 508991736 AUHOCRSJZKYOTN-UHFFFAOYSA-N 440.237 4.265 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1 509105390 DIUSUMLFQSOLST-UHFFFAOYSA-N 449.463 4.064 5 20 IIBD CN(CC(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1ccccc1[N+](=O)[O-] 511708012 PTSVGWHEOHKLNH-MRXNPFEDSA-N 433.333 4.052 5 20 IIBD Cc1ccc(-c2csc(NC(=O)Cc3nnn(-c4ccccc4)c3C)n2)cc1[N+](=O)[O-] 512301411 UYHTWYRNQCDTOL-UHFFFAOYSA-N 434.481 4.097 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)NCCCOC[C@@H]3CCCO3)cc2[N+](=O)[O-])cc1 512347444 SRSBQAMZRXKCIO-SFHVURJKSA-N 430.526 4.370 5 20 IIBD NC(=O)c1ccc(SCC(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)c([N+](=O)[O-])c1 512891060 OGCFQTMLQVTNGO-UHFFFAOYSA-N 448.913 4.201 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc(Cl)ccc1I 512934556 UHSIDLGRIANWQM-UHFFFAOYSA-N 444.656 4.168 5 20 IIBD O=C(CC1CCCCC1)N1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 513063872 MMIKUZZQNDFHOO-UHFFFAOYSA-N 428.558 4.333 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O 513598365 RVUOXXOHFVUDJX-CDMIOBSGSA-N 441.503 4.171 5 20 IIBD CC(C)[C@H](CN[C@@H](c1ccc([N+](=O)[O-])cc1)c1nccn1C)N1CCc2ccccc2C1 513666470 LVNFMNUIVOOHLK-ZEQRLZLVSA-N 433.556 4.090 5 20 IIBD O=C(COc1ccccc1C(=O)N1CCCc2c1cccc2[N+](=O)[O-])Nc1ccccc1F 513838043 KHVITWUGQYXBFS-UHFFFAOYSA-N 449.438 4.344 5 20 IIBD COc1cc([C@H](C)NC(=O)COc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1 515451415 JCZYNDMZHBNQSZ-KRWDZBQOSA-N 436.464 4.439 5 20 IIBD O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 522569670 WRGVYNYNHHFPEQ-OAHLLOKOSA-N 435.415 4.285 5 20 IIBD Cn1cc(C(=O)Nc2nc(Sc3ccccc3)ns2)c(-c2ccc([N+](=O)[O-])cc2)n1 523427089 MPKQCHMUHACZSZ-UHFFFAOYSA-N 438.494 4.250 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(CC(F)(F)F)cc2)ccc1[N+](=O)[O-] 525024774 CFLBJUVNRXKJAK-SFHVURJKSA-N 435.402 4.251 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC(Oc2ccc(C)c(C)c2)CC1 533251013 QOGJXNDTWUQWKK-KRWDZBQOSA-N 427.501 4.091 5 20 IIBD O=C(c1cc(I)cc([N+](=O)[O-])c1)N(CC(F)(F)F)C1CCCC1 535038794 CJCLAHDMYKLJNB-UHFFFAOYSA-N 442.175 4.147 5 20 IIBD CC[C@@H]1CN(C(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C[C@@H]1O 535630297 IYVFLBSPINFTJF-SEZVEMCMSA-N 437.521 4.365 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c1 538413714 DELOHEFLRGTMBU-LJQANCHMSA-N 436.468 4.476 5 20 IIBD CCc1nc(CN2CCC(CNC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)CC2)cs1 538745251 FFVXAFFONATBRD-UHFFFAOYSA-N 430.574 4.181 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 539839671 HGKVLQYKMMWWNW-UHFFFAOYSA-N 444.289 4.175 5 20 IIBD O=C(Nc1cccc2c1OCO2)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 541110282 CPEJGUIBNOAFEE-UHFFFAOYSA-N 437.374 4.197 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@H](CCc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 542105061 FNHBCBYISBWRLN-HXUWFJFHSA-N 433.464 4.032 5 20 IIBD C[C@H](C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1ccc([N+](=O)[O-])cc1F 542513752 QTSBKZWNUMMJBK-AWEZNQCLSA-N 440.500 4.491 5 20 IIBD O=C(c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 543354277 DYCVTSSDQVKJLU-ZQIUZPCESA-N 441.534 4.199 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 546070498 GVXPSLPRJKTQPX-HSZRJFAPSA-N 438.505 4.129 5 20 IIBD Cc1sc2nc([C@@H](C)Sc3nc4cc([N+](=O)[O-])ccc4c(=O)n3C)nc(O)c2c1C 546522238 DQWWBBGWJJWUOJ-SNVBAGLBSA-N 443.510 4.022 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)N1CCOCC2(CCC2)C1 546810998 PQMVNYXEUYWVSL-HXUWFJFHSA-N 429.904 4.431 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CCO3)c1 549196126 ABHOCFBUMHBKMP-UHFFFAOYSA-N 427.457 4.017 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCc1nc(C(F)(F)F)cs1 550278473 XHALYYQAHFSLFR-UHFFFAOYSA-N 438.225 4.114 5 20 IIBD O=C(Nc1cc(F)c(N2CCOCC2)cc1F)c1ccc2[nH]c3ccccc3c(=O)c2c1 557775543 PQAVGVKVMVEWQB-UHFFFAOYSA-N 435.430 4.048 5 20 IIBD COc1cc(CN2C[C@@H](N3CCCC3)C[C@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 564306822 LXOUKHAISGCQIH-GCJKJVERSA-N 425.529 4.241 5 20 IIBD CCCS(=O)(=O)Nc1ccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 565925324 ZYMOLUDMZJGFQG-UHFFFAOYSA-N 434.518 4.189 5 20 IIBD Cc1cccc2c1OC[C@H](NC(=O)c1ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c1)C2 571966535 SDPHVPFAJFMSDA-VQIMIIECSA-N 432.480 4.205 5 20 IIBD CCN(C)C(=O)c1cccc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 576726383 JGFKHVGAVRYYRE-UHFFFAOYSA-N 438.406 4.146 5 20 IIBD Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1c1ccc(Br)cc1 577425211 IFDHFNBRURUVKA-QGZVFWFLSA-N 428.290 4.494 5 20 IIBD Cc1cc(CNC(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)ccc1-c1ccccc1 577532509 ONRMLRSHAYGQFM-UHFFFAOYSA-N 443.503 4.378 5 20 IIBD COc1c(-c2nc(Cc3c[nH]c4cccc(Br)c34)no2)cccc1[N+](=O)[O-] 583050029 KBILIINQKQCSST-UHFFFAOYSA-N 429.230 4.488 5 20 IIBD Cc1cc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)c(F)cc1[N+](=O)[O-] 590598278 WYVDZCMKQSZPRR-UHFFFAOYSA-N 444.366 4.048 5 20 IIBD COc1cc(CCNC(=O)c2cnc3ccccc3c2C(F)(F)F)c([N+](=O)[O-])cc1OC 603064850 QIRLDZAXZUMHAD-UHFFFAOYSA-N 449.385 4.152 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 603492024 MJRHXTQRIAAKCN-GFCCVEGCSA-N 437.930 4.426 5 20 IIBD O=C(Nc1ccccc1)c1ccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 604496785 WFFXSOMXOACAEK-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD COc1ccccc1OCCCNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 609178002 FTRGXWOXEOSPBZ-UHFFFAOYSA-N 427.501 4.039 5 20 IIBD C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 609508219 FLHNDRCEXCQHSX-VBKZILBWSA-N 426.860 4.036 5 20 IIBD CC(C)[C@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)N1CCCC1 609606963 LETICVZORRPPGE-FQEVSTJZSA-N 445.903 4.417 5 20 IIBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1cccc(Oc2ccnc3ccccc23)c1 609680630 NNCJHWMHNWUGIX-UHFFFAOYSA-N 442.431 4.304 5 20 IIBD CC1(C)CC(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CC(C)(C)N1 609919850 ZAMXQIBNPVWZHJ-UHFFFAOYSA-N 440.331 4.126 5 20 IIBD O=C(NC[C@H]1CCN(CC(F)(F)F)C1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611201550 ZMEMHCIIPJOCPH-CYBMUJFWSA-N 431.480 4.244 5 20 IIBD CC(C)(C(=O)N1CCOc2c(Br)cccc2C1)c1ccc([N+](=O)[O-])cc1F 619419459 PCPJIZHMJOKAQB-UHFFFAOYSA-N 437.265 4.195 5 20 IIBD COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)c2cccc([N+](=O)[O-])c2OC)cc1 619434609 DRIMXQSEASINTR-UHFFFAOYSA-N 436.464 4.463 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Nc1cccc(CC[C@@H](O)c2ccccc2)c1 727362130 HHJMHZVUXSGJLI-HXUWFJFHSA-N 430.457 4.201 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)OCc2nc3cccnc3[nH]2)cc1[N+](=O)[O-] 728222041 LCUIMPMEKWTZAL-UHFFFAOYSA-N 448.460 4.176 5 20 IIBD CC(C)(C)c1ccc(C(=O)O[C@@H](C(N)=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 729701170 YEJVQSGDFLPFCZ-MRXNPFEDSA-N 435.274 4.038 5 20 IIBD COc1cc(C(=O)OCCNc2ncccn2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 729797122 PDBYJLKDQBAGIG-UHFFFAOYSA-N 444.831 4.108 5 20 IIBD CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)OCc1ccc(OC)c([N+](=O)[O-])c1)O[C@@H](C)C2 730651708 OMKFGNSUNSWHQY-QANKJYHBSA-N 427.453 4.172 5 20 IIBD O=C(OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1cc2cc(F)ccc2s1 730702984 FAGRPDCWXROQJN-HNNXBMFYSA-N 428.441 4.410 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1cccc(C2SCCS2)c1 731050858 QAFZIXVTCILXQB-UHFFFAOYSA-N 437.930 4.095 5 20 IIBD CCOc1ncc(C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)cc1Cl 732728608 NSPHKGZCFRYJLP-UHFFFAOYSA-N 445.863 4.143 5 20 IIBD O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1 733084049 VXQANTMARKJBJP-XYOKQWHBSA-N 447.432 4.281 5 20 IIBD O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])CC1 733763877 LKYRPPMIBMAWAN-UHFFFAOYSA-N 441.793 4.156 5 20 IIBD O=C(CC1CCOCC1)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 735355740 WOHOWGBNAACFKP-FQEVSTJZSA-N 432.860 4.288 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Br)Nc1ccc2ccccc2c1 740424067 XUYJNACPCRRQOJ-UHFFFAOYSA-N 429.226 4.306 5 20 IIBD Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3cc(C)ccc3[N+](=O)[O-])cc2)cc1 741885482 MGMFATFSCQJIQM-UHFFFAOYSA-N 440.477 4.256 5 20 IIBD C[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Cl)cc2)no1 742940731 FXHMKSAXOPGKQA-ZDUSSCGKSA-N 429.864 4.368 5 20 IIBD COc1ccccc1CN(Cc1cccs1)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 745753671 RVMDNGQXWDCRHW-UHFFFAOYSA-N 430.457 4.412 5 20 IIBD COc1cc(C)ccc1Oc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)cn1 745765959 PFJLBUDVRVUJFW-UHFFFAOYSA-N 427.388 4.256 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 746253974 KYLOTZVIVMOPRM-DENIHFKCSA-N 427.476 4.062 5 20 IIBD C/C(=C/C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccc(C(F)(F)F)cc1 748390665 LIJVVLBPMWPUSI-FLIBITNWSA-N 426.322 4.338 5 20 IIBD COc1cc(C(=O)Nc2sc3c(c2C(N)=O)-c2ccccc2CCC3)ccc1[N+](=O)[O-] 748799135 OKNLKGBAICGSMO-UHFFFAOYSA-N 437.477 4.172 5 20 IIBD CC(C)Oc1ccc(-c2nc(C(=O)OCC(=O)Nc3ccccc3[N+](=O)[O-])cs2)cc1 749315427 IJVSALGHMCQTPZ-UHFFFAOYSA-N 441.465 4.301 5 20 IIBD C[C@H](OC(=O)c1cccc2cnccc12)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 750367386 CVWLVTJCZKBWRL-ZDUSSCGKSA-N 448.460 4.451 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccn3)c2)cc1[N+](=O)[O-] 753083032 LRMYPCLSZDOACR-UHFFFAOYSA-N 446.872 4.005 5 20 IIBD O=C(NCCOc1cccc2ccccc12)c1cc(F)cc([N+](=O)[O-])c1Br 754635039 FXVKUSSLPBPLBD-UHFFFAOYSA-N 433.233 4.458 5 20 IIBD CC(=O)Nc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)ccc1Cl 754985174 AOWTZPIZWQNDFG-UHFFFAOYSA-N 430.617 4.361 5 20 IIBD CO[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1cccc(Cl)c1 755019444 QJOWDWIJDLPEHH-CQSZACIVSA-N 431.645 4.267 5 20 IIBD C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 755032014 VPNLZTGGUKUAFM-LJZMDLFKSA-N 440.319 4.320 5 20 IIBD C[C@@H](C(=O)O[C@H]1CCCN(C(=O)c2ccccc2Cl)C1)c1ccc([N+](=O)[O-])cc1F 755670158 IEWRCDJQVMSOPE-HIFRSBDPSA-N 434.851 4.339 5 20 IIBD O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCN(c2ccc(F)cc2Cl)CC1 757666151 NWPBKTOEXRJBTN-UHFFFAOYSA-N 442.672 4.112 5 20 IIBD CCCc1c(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1-c1ccccc1C 758891868 UYFUVVOIEBYWBI-UHFFFAOYSA-N 447.451 4.448 5 20 IIBD Cc1nn(Cc2ccc(-c3nc(Cc4cccc([N+](=O)[O-])c4C)no3)cc2)c(C)c1[N+](=O)[O-] 762314163 FTWBIOJNTSWXPE-UHFFFAOYSA-N 448.439 4.314 5 20 IIBD O=C(Nc1ccccc1C(=O)NC[C@H](O)c1ccsc1)c1ccc([N+](=O)[O-])cc1Cl 762498400 WQTUERTXDGPSFN-SFHVURJKSA-N 445.884 4.025 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1cc(C)c(F)cc1Cl 763811120 SNEPZRVMTYYQAI-UHFFFAOYSA-N 441.864 4.474 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)CC2 765111607 UWUXMXJSJATVFY-HBFSDRIKSA-N 431.533 4.164 5 20 IIBD COc1cccc(C(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-] 766709130 AVXPVMONMDIKEV-UHFFFAOYSA-N 449.379 4.210 5 20 IIBD Cc1cccc(-c2cncc(C(=O)OCC3CCN(c4ncccc4[N+](=O)[O-])CC3)c2)c1 768776590 SHNOAHAFZWLROY-UHFFFAOYSA-N 432.480 4.434 5 20 IIBD CCCN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1CCN(C(=O)OC(C)(C)C)CC1 769362914 MNYFABJBYFWTJQ-UHFFFAOYSA-N 444.532 4.188 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN(C)Cc2cccc(N(C)C)c2)c1=S 769854009 PTIQVNROXMHAOZ-UHFFFAOYSA-N 426.546 4.165 5 20 IIBD CC(C)OC[C@H]1CN([C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)CCO1 770706607 ADFLAISOQPVLNO-WIYYLYMNSA-N 447.919 4.054 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F 772334568 ZRMNNRMUVWUGDI-MRXNPFEDSA-N 436.308 4.102 5 20 IIBD O=C(Nc1cccc(CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 777944585 SDSTWJXYPOSXDJ-UHFFFAOYSA-N 425.391 4.255 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)cc1[N+](=O)[O-] 778139725 VVHXFTWSEGQTND-LBPRGKRZSA-N 435.820 4.132 5 20 IIBD COc1ccccc1NC(=O)[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(C)C 778888303 VJFLWEDABARMSR-QGZVFWFLSA-N 438.383 4.025 5 20 IIBD CC[C@@H](OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)Nc1ccc(OC)cc1 781260271 QYXBVVJLDSVWRL-JOCHJYFZSA-N 430.460 4.264 5 20 IIBD CCS(=O)(=O)c1ccc(Br)c(C(=O)O[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 781615620 UVYXEFMVBOFWOD-NSHDSACASA-N 442.287 4.069 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)c1nc2ccccc2o1 781805203 DFHJDMFRSOIDLQ-GFCCVEGCSA-N 430.438 4.309 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 782069984 KSLUKOLMHFZBFM-UHFFFAOYSA-N 442.472 4.176 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 782413529 BNPWVSBMPJLAEF-CVEARBPZSA-N 432.521 4.079 5 20 IIBD CC(C)(C)OC(=O)NCc1nc(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cs1 782427537 SQKDDRGEXRXOEJ-UHFFFAOYSA-N 446.407 4.347 5 20 IIBD CCOCN(C(=O)COC(=O)c1cc(F)cc(C)c1[N+](=O)[O-])c1c(C)cccc1CC 784056467 WXULZJDVXROODV-UHFFFAOYSA-N 432.448 4.097 5 20 IIBD C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](C)OC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 784838461 QYJBZOVCJUENLD-MGPQQGTHSA-N 442.462 4.009 5 20 IIBD C[C@H](c1cc2ccccc2o1)N(C)C(=O)COC(=O)Cc1ccc([N+](=O)[O-])cc1Cl 785953418 JHHFEGIWDVHLRA-CYBMUJFWSA-N 430.844 4.300 5 20 IIBD COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1Br 786366709 JMJPXRIOSSISCP-INIZCTEOSA-N 427.682 4.470 5 20 IIBD Cc1c(CNC(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cccc1[N+](=O)[O-] 791019299 XOUJXHDAUYOLTD-JXFKEZNVSA-N 427.501 4.422 5 20 IIBD CCOc1c(Cl)cccc1CC(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 791502449 GOKCHWSICZTXHM-UHFFFAOYSA-N 427.240 4.025 5 20 IIBD COC(=O)c1cc(NCC(=O)Nc2ccccc2SC(F)F)c(C)c([N+](=O)[O-])c1 792736708 PPUCFKAAHZXGOS-UHFFFAOYSA-N 425.413 4.055 5 20 IIBD CN(C[C@@H]1C[C@H](F)CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)OC(C)(C)C 792914924 JTJOGAVVPKNMJD-YJBOKZPZSA-N 434.468 4.029 5 20 IIBD COc1ccc(Br)cc1[C@@H]1CCCN1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 794627279 RXJOBDDPMODJOC-AWEZNQCLSA-N 448.273 4.068 5 20 IIBD C[C@@H](OC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C(=O)N(C)Cc1nc2ccccc2s1 796441836 MYYBGFFCIJMWMI-CQSZACIVSA-N 441.509 4.072 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccsc2)c1 798332365 TXJAPFFTJNZAGJ-OAQYLSRUSA-N 440.521 4.496 5 20 IIBD CC1(C)C[C@@H](OC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c2cc(Br)ccc2O1 798558909 SXIITSKPQINESI-OAHLLOKOSA-N 438.278 4.135 5 20 IIBD Cc1ccc(NC(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] 800509614 STAZUIWEHHQBSA-RBUKOAKNSA-N 440.500 4.428 5 20 IIBD COc1c(C(=O)NCc2cccc3c2CCCN3C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] 805308694 IQTCVJGMAVZDMH-UHFFFAOYSA-N 441.484 4.221 5 20 IIBD CNC(=O)OC[C@@H]1CCCCN1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 806276773 UZTNIOKBRCFJQV-KRWDZBQOSA-N 428.445 4.130 5 20 IIBD CS[C@H]1CCC[C@H](NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 806827250 OQTRIZCKMZBRIA-RYUDHWBXSA-N 428.352 4.099 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(c3ncnc4cccc([N+](=O)[O-])c34)CC2)C1 811861211 XLVAXMGHZIBANS-MRXNPFEDSA-N 427.505 4.011 5 20 IIBD C[C@H]1CCCN(c2cc(C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)ccn2)C1 812650953 DMYOVZXWLQSGOM-UONOGXRCSA-N 446.891 4.064 5 20 IIBD CC(C)(CCc1noc(-c2cccc(NC(=O)c3ccc(Br)o3)c2)n1)[N+](=O)[O-] 812814104 SMTXUYSQXWSPRU-UHFFFAOYSA-N 449.261 4.332 5 20 IIBD O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813016717 YVVHCRHRZGRUPZ-AWEZNQCLSA-N 428.659 4.090 5 20 IIBD O=C(Nc1ccc(OC(=O)[C@@H](O)c2ccc(Cl)cc2F)cc1)c1cccc([N+](=O)[O-])c1 813385735 WJWSXIQMWNATMY-IBGZPJMESA-N 444.802 4.279 5 20 IIBD O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 813433519 PGLJIMVNIASEBP-CYBMUJFWSA-N 441.246 4.077 5 20 IIBD O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCN(c2cc(C(F)(F)F)ccn2)CC1 813519747 AMGIJBPOHOLREX-UHFFFAOYSA-N 449.216 4.278 5 20 IIBD Cc1cc(=N[C@H](C)c2ccc(N3CCCOC3=O)cc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 814264024 VBCOMFGVQHOVAF-MRXNPFEDSA-N 433.468 4.302 5 20 IIBD Cc1cccc(C(C)C)c1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F 814482835 BXGPFZFSODDNTC-AWEZNQCLSA-N 431.464 4.416 5 20 IIBD CNC(=O)c1cc(Oc2cccc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)c2)ccn1 817003504 DQRXHCHOGVYUTB-UHFFFAOYSA-N 426.816 4.047 5 20 IIBD COc1ccc(CN(C)C(=O)[C@H](OC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C(C)C)cc1 877196805 KMCNQABQJOGURM-LJQANCHMSA-N 434.876 4.097 5 20 IIBD Cc1ccc(-c2csc(NC(=O)[C@H]3CC(=O)N(c4ccc(F)c([N+](=O)[O-])c4)C3)n2)cc1 913120515 JHVCVTBPUBEDDY-AWEZNQCLSA-N 440.456 4.157 5 20 IIBD CC(C)N(Cc1cc(Br)ccc1F)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 915114681 CNODGSSGEDJWPZ-UHFFFAOYSA-N 449.280 4.283 5 20 IIBD Cc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 918398644 BQLZEAZIXOFQAA-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(F)c(NC(=O)OC(C)(C)C)c2)c1C 1116042246 SULXEJGPWYTPQZ-UHFFFAOYSA-N 439.465 4.499 5 20 IIBD Cc1ccc2c(c1)S[C@@H](C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-])C2 1317741669 HWKZSXGFEKEMOK-YLJYHZDGSA-N 428.510 4.119 5 20 IIBD O=[N+]([O-])c1ccc(I)c(-c2nnc(-c3cccc4ncccc34)o2)c1 1322332136 HNZWJXPLNBLJKI-UHFFFAOYSA-N 444.188 4.465 5 20 IIBD Cn1cc([C@@H](NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c2ccccc2)cn1 1323760199 JWWFZLNXWMEGNK-DEOSSOPVSA-N 441.491 4.460 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2cc(-c3ccco3)nn2C)cc1[N+](=O)[O-])c1ccccn1 1324759208 FUKGTMJADFCJDF-CQSZACIVSA-N 432.440 4.409 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccccn3)cc2)CCC1)c1cc(F)cc([N+](=O)[O-])c1 1787297264 WXOMDKYVQFGMAL-UHFFFAOYSA-N 434.427 4.190 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C)n(C)c4)CCC3)cc2)ncc1[N+](=O)[O-] 1788766424 NECUGQPTPFJWTC-UHFFFAOYSA-N 447.495 4.007 5 20 IIBD C[C@H]1C[C@]1(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 1799950578 FDJPLRSRLJGQDO-OLRLFZPVSA-N 427.526 4.107 5 20 IIBD CC/C=C(\C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2cc([N+](=O)[O-])ccc2F)n[nH]1 1815645029 UYRJRHIFTGMLCG-CXPVQLEGSA-N 443.479 4.048 5 20 IIBD C[C@@H]1C[C@@]1(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])[nH]n1 1820772204 FNAYSLLVGSMKBV-DLYRNERESA-N 437.500 4.070 5 20 IIBD CC/C=C(\C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(C)c([N+](=O)[O-])c2)[nH]n1 1823097309 NJCIJVWMJWDKSW-MERDRXRJSA-N 439.516 4.217 5 20 IIBD CC1=CC[C@H](C(=O)N2CCCC23CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)C3)CC1 1843832503 VSBBDWNEKRSUEY-INIZCTEOSA-N 431.920 4.120 5 20 IIBD C[C@H](OC(=O)c1ccccc1OCc1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 10863980 MWHBKEQGQKSLEA-HNNXBMFYSA-N 438.411 4.497 5 20 IIBD Cc1nc2ccccc2c(C)c1CC(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 11196107 VILXKBZGGUMSPP-UHFFFAOYSA-N 427.844 4.138 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)c([N+](=O)[O-])c1 16799445 WPJZLKHUFMCHBV-SECBINFHSA-N 429.654 4.425 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)CSCc2cccc(Cl)c2)c([N+](=O)[O-])c1 16906523 ZVOKZIAKRWPBBF-LBPRGKRZSA-N 438.889 4.060 5 20 IIBD COc1ccccc1NC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 21187187 CUNKHNVBVSKYIW-GOSISDBHSA-N 446.916 4.031 5 20 IIBD COC(=O)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c([N+](=O)[O-])c1 22222665 BZQWNJPUZQCLCQ-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD COC(=O)c1ccc(C)c(NC(=O)[C@H](C)OC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 26342752 JQLLMHBZIQWYAI-AWEZNQCLSA-N 442.468 4.171 5 20 IIBD O=C(NC[C@H]1CCN(c2ccccc2)C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 27823009 ZPUJMGOBGINSOY-HXUWFJFHSA-N 430.508 4.463 5 20 IIBD CCc1ccccc1NC(=O)[C@@H](C)OC(=O)Cn1c2ccccc2c(=O)c2ccccc21 28774996 AUZCQEXJLBHNRK-QGZVFWFLSA-N 428.488 4.288 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Sc1ccc(C(F)(F)F)cn1 45560342 PZVFXSLSGVLYSH-UHFFFAOYSA-N 447.460 4.334 5 20 IIBD COc1ccc(C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1[N+](=O)[O-] 59812685 WDJFXKDIPVATPS-AWEZNQCLSA-N 437.427 4.486 5 20 IIBD O=C(c1ccc(Cl)cc1)C1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 60482328 RGYIADFEOJYIKE-UHFFFAOYSA-N 426.860 4.393 5 20 IIBD COc1cc(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)ccc1OCCC(C)C 65733422 DANVDFNDJHWJOW-UHFFFAOYSA-N 425.485 4.299 5 20 IIBD COc1cc(C(=O)NCC2(c3cccc(Br)c3)CCC2)c([N+](=O)[O-])cc1OC 72007090 GBQNWXDWUUAUPN-UHFFFAOYSA-N 449.301 4.226 5 20 IIBD Cc1ccc(OCc2ccc(C(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)o2)c(C)c1 72016625 NDEJCMMSLPKRBA-UHFFFAOYSA-N 435.480 4.346 5 20 IIBD COc1cc(C(=O)N(C)Cc2ccccc2F)c([N+](=O)[O-])cc1OCc1cscn1 108909128 DZMICQNJLPFNJT-UHFFFAOYSA-N 431.445 4.050 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCc1csc2ccccc12 109172941 DITQTHNFSJSQFF-GOSISDBHSA-N 444.534 4.404 5 20 IIBD C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 111141318 CEPMOFHNSBIMPW-SFHVURJKSA-N 446.507 4.101 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(CNc3nc4ccc([N+](=O)[O-])cc4s3)cc2)C[C@H](C)O1 111190629 JBAFRLISECTNBN-KBPBESRZSA-N 426.498 4.066 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NC2CCN(Cc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] 301072954 GADYLSSAEVGYEG-UHFFFAOYSA-N 434.880 4.034 5 20 IIBD Cc1cc(Sc2nnc(-c3c[nH]c4ccccc34)n2C[C@@H]2CCCO2)ncc1[N+](=O)[O-] 301454869 VWNTXEAAJATZIM-AWEZNQCLSA-N 436.497 4.368 5 20 IIBD CN(C)[C@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1ccc(Cl)cc1 301471283 JQJBSRBWCGLLSB-GOSISDBHSA-N 448.310 4.162 5 20 IIBD CCCn1nccc1C1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 410282675 HZRAHTFVIOZDCU-UHFFFAOYSA-N 428.536 4.167 5 20 IIBD O=C(O)[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(Br)cc1 426805798 FSVJAFUNRXTMTR-INIZCTEOSA-N 448.298 4.396 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N(Cc1cccs1)C[C@H]1CCCO1 426993476 WFUGULPQVKZAPK-SNVBAGLBSA-N 431.333 4.302 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CN(C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 430220929 QVUCAHDZRRFKIB-UHFFFAOYSA-N 441.509 4.036 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccc(C(=O)OC)o1 432356841 KGOQDRJCEGBHKI-UHFFFAOYSA-N 444.421 4.132 5 20 IIBD O=C1CN(C(=O)CNc2cc([N+](=O)[O-])ccc2Sc2cccs2)c2ccccc2N1 434879696 JSKDZXSUHBMALS-UHFFFAOYSA-N 440.506 4.205 5 20 IIBD Cc1c(NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2O)cccc1[N+](=O)[O-] 436758878 YRYNPPCMRPKRTH-UHFFFAOYSA-N 427.363 4.392 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(NCc3cc([N+](=O)[O-])ccc3OC(F)F)cc2)C[C@@H](C)O1 437263821 UOCIJASJVLPACX-OKILXGFUSA-N 435.427 4.058 5 20 IIBD CC(C)(COc1ccc(C(F)(F)F)cn1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl 437908709 OFCXQAZDJNUSRL-UHFFFAOYSA-N 431.798 4.178 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1ccc2ccccc2c1)C1CC1 439765153 LCBAGWJIVVRUII-UHFFFAOYSA-N 433.464 4.276 5 20 IIBD O=C(NCc1nc(-c2ccncc2)no1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 440631888 AYPQDZASBUQULX-UHFFFAOYSA-N 433.449 4.121 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccccc1F)c1ccc2nc(O)[nH]c2c1 440722606 RFPPBKYTKMISOS-UHFFFAOYSA-N 449.442 4.270 5 20 IIBD O=C(Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1)[C@@H]1OCCc2ccccc21 440840173 ALWSVRUIOBTXFY-JOCHJYFZSA-N 430.420 4.293 5 20 IIBD CCOCCOc1cc(C)ccc1CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 444235563 XTSLFECQYHKUPI-UHFFFAOYSA-N 430.504 4.335 5 20 IIBD CC(C)(CNC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1cccc(C(F)(F)F)c1 445027457 GHKFWTJJRBRLDI-UHFFFAOYSA-N 435.406 4.267 5 20 IIBD CCn1c(-c2cccc(Br)c2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 460228414 FNMWLQPMFNNDDO-UHFFFAOYSA-N 428.290 4.198 5 20 IIBD Cc1ccccc1[C@@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@H](C)CO1 460409705 XJDOKSSAGCWNHS-CLOONOSVSA-N 426.516 4.452 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 460840936 QCDJGWLGUCCHSR-UHFFFAOYSA-N 445.884 4.230 5 20 IIBD Cc1nc(C(F)(F)F)sc1C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 461724405 JPZCDRIOCJYJJV-UHFFFAOYSA-N 442.341 4.239 5 20 IIBD CCN(Cc1cccc(-c2ccncc2)c1)S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] 462495090 NEPBQIKKADHQCU-UHFFFAOYSA-N 425.510 4.484 5 20 IIBD CC[C@H]1CN(c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])CCS1 463014771 VXGMKKKMMAAUCL-INIZCTEOSA-N 435.571 4.344 5 20 IIBD C[C@@H](CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)Oc1ccc(F)cc1 463948488 XTYPOOBIIYTFAO-JKSUJKDBSA-N 438.459 4.499 5 20 IIBD O=C(Nc1ccc(Cc2nnc3n2CCCCC3)cc1)c1ccc([N+](=O)[O-])cc1Cl 464101449 ZLADBCNHBJMAJN-UHFFFAOYSA-N 425.876 4.409 5 20 IIBD CCOc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c2ncccc12 464329185 UHIAWXUDBYSLQF-HXUWFJFHSA-N 448.479 4.093 5 20 IIBD CCN(Cc1cccc(-c2ccncc2)c1)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 464425003 JBLKDGIEAPYILA-UHFFFAOYSA-N 448.504 4.416 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)S(=O)(=O)c1ccccc1C(F)(F)F 468489137 UWTTYAZAAMVQBM-SECBINFHSA-N 436.795 4.068 5 20 IIBD Cc1cc(CNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)ccc1Oc1ccc(F)cc1 472626174 XLCOMIYSKCZASM-UHFFFAOYSA-N 441.390 4.229 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 472686323 LTHIBFJKCCAUQO-NVXWUHKLSA-N 439.365 4.144 5 20 IIBD CNC(=O)c1cc2cc(NC(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)ccc2[nH]1 473577083 SENYIBNYJYHDFI-UHFFFAOYSA-N 443.463 4.300 5 20 IIBD CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 475212231 MINAPFGITMZILE-CHWSQXEVSA-N 430.427 4.162 5 20 IIBD Cn1ccnc1[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(F)cc1 475216058 MSBSIJNVKGAACE-MRXNPFEDSA-N 437.353 4.397 5 20 IIBD CN(c1ccccc1)c1ccc(CNc2ccc(F)c(N3C(=O)CNC3=O)c2)cc1[N+](=O)[O-] 475619901 DFDDGJSTUDAGAQ-UHFFFAOYSA-N 449.442 4.170 5 20 IIBD O=C(c1ccc2c3c(cccc13)CC2)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 478081682 IKSKXDIFUMXBFN-UHFFFAOYSA-N 441.491 4.075 5 20 IIBD Cn1nc([N+](=O)[O-])cc1C(=O)NCc1ccc(OCCSc2ccc(Cl)cc2)cc1 478127350 XLBZYZILGLHBOG-UHFFFAOYSA-N 446.916 4.083 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 479305674 IBCHZDKFDLKXSB-NRFANRHFSA-N 430.936 4.269 5 20 IIBD COCCN(C(=O)C[C@@H]1CCC[C@@H](OC)C1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 483082218 AKSOSUYGLRNWMR-CRAIPNDOSA-N 433.530 4.293 5 20 IIBD CCc1c(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cnn1-c1ccccc1C 485346244 JZNNWGQWBTUSHJ-UHFFFAOYSA-N 434.500 4.005 5 20 IIBD Cc1cc(OCC(=O)O)ccc1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 485905881 KDELRTNHBQSCOZ-UHFFFAOYSA-N 435.436 4.231 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccn(-c3cccc(C(F)(F)F)c3)n2)c(C)c([N+](=O)[O-])c1 485989037 JCCLEBCSHMUKRV-UHFFFAOYSA-N 448.357 4.147 5 20 IIBD CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1 487002298 SEEBQXZVPRCTDX-UHFFFAOYSA-N 441.875 4.167 5 20 IIBD Cc1cc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)n(-c2ccccc2C(F)(F)F)n1 488936691 PNSIEWPQDNFBQG-UHFFFAOYSA-N 434.330 4.089 5 20 IIBD COC(=O)c1cc(NC(=O)C2(c3ccc(Br)cc3)CC2)c(C)c([N+](=O)[O-])c1 489757085 FPOWHWKZKDCQPA-UHFFFAOYSA-N 433.258 4.123 5 20 IIBD C[C@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1noc(-c2ccccc2)n1 490581005 BSFAYNVQBIWETD-NSHDSACASA-N 436.346 4.077 5 20 IIBD COc1cc(Br)cc(NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])c1 498323357 PRTMMENNLAVABC-UHFFFAOYSA-N 427.276 4.349 5 20 IIBD CCOc1ccc(CN(C(=O)c2c([N+](=O)[O-])cnn2C)c2ccc(OC)c(Cl)c2)cc1 501210012 XKWDPYHPZGFPIJ-UHFFFAOYSA-N 444.875 4.236 5 20 IIBD Cn1c(-c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3SCCO)cc2)nc2ccccc21 502080690 XHSISWGVCPGJEV-UHFFFAOYSA-N 448.504 4.485 5 20 IIBD CC(C)N(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1nnc(-c2ccccc2Cl)o1 502751331 TZZPLZUXQCECDK-UHFFFAOYSA-N 443.891 4.172 5 20 IIBD COc1cc(CCNC(=O)N[C@@H]2CC(C)(C)Cc3oc(C)cc32)c([N+](=O)[O-])cc1OC 504437046 ULBQYSAHNJMKBS-MRXNPFEDSA-N 431.489 4.069 5 20 IIBD CC[C@H](C)Sc1ccc(NC(=O)C(=O)N(C)CCc2ccccc2[N+](=O)[O-])c(C)c1 506762068 YXGDIHHRRFXMHV-INIZCTEOSA-N 429.542 4.433 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3nc(-c4cc(F)ccc4F)[nH]c3c2)cc1 511145955 OXCNKDVHQIRHMI-UHFFFAOYSA-N 430.392 4.217 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3nc(-c4ccccc4)cs3)CC2)ccc1[N+](=O)[O-] 514055329 HNTBVCOBVYLVMU-UHFFFAOYSA-N 438.509 4.079 5 20 IIBD COc1cc(CCNC(=O)N(C)[C@H](C)c2nc3ccccc3s2)c([N+](=O)[O-])cc1OC 514579198 WDIFJYXCKGXFQN-CYBMUJFWSA-N 444.513 4.167 5 20 IIBD COc1cc(C(=O)N2C[C@H](C)Oc3ccccc32)c([N+](=O)[O-])cc1OCc1cscn1 520337369 RIZCPLROFIAFPB-ZDUSSCGKSA-N 441.465 4.067 5 20 IIBD Cc1cc(C)nc(Sc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)n1 521527467 WZFHUIBCDMFWRS-UHFFFAOYSA-N 430.511 4.262 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 523485293 PTKALINNLHUFNK-MRXNPFEDSA-N 433.258 4.106 5 20 IIBD Cc1cc(C(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)cc([N+](=O)[O-])c1 523853235 FHNGCQXJIYJUSG-UHFFFAOYSA-N 446.301 4.157 5 20 IIBD C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 524571063 HZUUEJVNMZDFEL-NQIIRXRSSA-N 446.507 4.061 5 20 IIBD CCOc1c(Cl)cc(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1OC 524603219 FTTAZDBXPJFOGU-UHFFFAOYSA-N 443.681 4.348 5 20 IIBD COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)CCn2cc([N+](=O)[O-])nc2C)c1 525009491 DPAOYCRXRIQHAZ-QFIPXVFZSA-N 436.512 4.215 5 20 IIBD C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCOC(c2ccccc2)c2ccccc2)C1=O 530934455 WYFIHPPUWHDUTG-RUZDIDTESA-N 445.475 4.168 5 20 IIBD COc1ccccc1[C@H](C)N(C)C(=O)COc1c(C)cc(Br)cc1[N+](=O)[O-] 531850525 UQBPWFHGDYEGMU-ZDUSSCGKSA-N 437.290 4.273 5 20 IIBD Cc1cn(-c2ncccc2F)nc1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 532590090 KZRXEMFQBBIVOW-UHFFFAOYSA-N 446.442 4.487 5 20 IIBD Cc1csc(C2(NCC(=O)Nc3ccc([N+](=O)[O-])cc3Br)CCCC2)n1 533065047 WOOYWUADZGTNMY-UHFFFAOYSA-N 439.335 4.120 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1nc(-c2ccc(O)cc2)cs1 533975907 HLUOHAGBZQAKLU-UHFFFAOYSA-N 434.271 4.368 5 20 IIBD C[C@H](CO)CCCNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 535426862 DCFAFXJBJFFXLU-ZDUSSCGKSA-N 439.871 4.387 5 20 IIBD CCCCN1C(=O)CC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)[C@H]1c1ccccc1OC 536196374 GGHJFILFXLADGB-HTAPYJJXSA-N 441.484 4.028 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C3)cs1 537875313 KOZUXILMQYRXSK-UHFFFAOYSA-N 428.539 4.399 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 540805419 QGWLZTDEYWCZKX-BEFAXECRSA-N 431.558 4.103 5 20 IIBD Cc1csc(Sc2ccc(-c3nc([C@@H]4CC(=O)N(C5CC5)C4)no3)cc2[N+](=O)[O-])n1 544974802 QMCDBTPABQQCPN-GFCCVEGCSA-N 443.510 4.039 5 20 IIBD C[C@@](O)(C1CCN(c2c([N+](=O)[O-])cnc3ccc(Br)cc23)CC1)C(F)(F)F 547342498 BRVQNCDJANIYPR-MRXNPFEDSA-N 448.239 4.435 5 20 IIBD CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 549046346 UXGPKURAZPXQDJ-CQSZACIVSA-N 445.911 4.038 5 20 IIBD CNC(=O)CN(Cc1cccc(C(F)(F)F)c1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F 549918395 CYHMQBLLRXUIBZ-UHFFFAOYSA-N 449.351 4.381 5 20 IIBD CCOC[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2ccccc2)C1 558945973 PZBMNFKTMXNTTD-HXUWFJFHSA-N 435.528 4.349 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 561189351 GRENGISUDDVLQD-MGPQQGTHSA-N 437.315 4.064 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@H](C)Cc1ccccc1C(F)(F)F 561479932 HYYSLLGPLOWQDW-CYBMUJFWSA-N 425.407 4.395 5 20 IIBD COc1ccc([C@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c(C)c1OC 561720620 SMCKFMGCEBQOKB-LBPRGKRZSA-N 437.290 4.103 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CNCc2cccc(OCC(F)F)c2)c1 564407355 CDSDTXQKFOPJNB-UHFFFAOYSA-N 448.207 4.133 5 20 IIBD O=C(N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1cc2cc([N+](=O)[O-])ccc2o1 565968660 HUYVXBKGQQXEJB-FQEVSTJZSA-N 434.370 4.491 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)Nc2cc(F)c(Cl)cc2N2CCOCC2)cc1[N+](=O)[O-] 577558082 BKEBHYIPIMFTQY-CYBMUJFWSA-N 436.871 4.415 5 20 IIBD O=C(Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1)c1ccc(F)cc1[N+](=O)[O-] 578564199 LLRSDXZABXLPIN-UHFFFAOYSA-N 428.323 4.403 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCC2(CCOCC2)CC1 585751618 OCSHRHOHIYFRMB-UHFFFAOYSA-N 439.299 4.120 5 20 IIBD C[C@H]1CN(CCCNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 591659711 RPCAHBPLMMMEDR-PMACEKPBSA-N 449.555 4.036 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 603501637 XQPFYNUOABVYDA-UHFFFAOYSA-N 439.493 4.289 5 20 IIBD O=C(CN1C(=O)[C@H](c2cccs2)N(Cc2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 603677864 GPVXEUTWUYNISM-FQEVSTJZSA-N 435.461 4.045 5 20 IIBD CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 603729561 AGUJJCJVGBHOCE-UHFFFAOYSA-N 435.358 4.249 5 20 IIBD Cc1cc(C(=O)Cn2cc(Br)c([N+](=O)[O-])n2)c(C)n1CCc1ccccc1 603948571 SPUBUISBXJCQML-UHFFFAOYSA-N 431.290 4.098 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2nc(-c3cccs3)cs2)ccc1[N+](=O)[O-] 608802786 STSOIKVLYVCOCP-INIZCTEOSA-N 442.522 4.332 5 20 IIBD COC(=O)c1occc1CN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@H](C)c1ccccn1 608961471 QGKWQSUKJOWFAF-CQSZACIVSA-N 448.435 4.254 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC[C@@H](c4ncc[nH]4)C3)cc2[N+](=O)[O-])n1 609025199 HWYDRCFMYUGOAR-CQSZACIVSA-N 429.527 4.254 5 20 IIBD Nc1c(C(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)cc(F)cc1[N+](=O)[O-] 609112445 GYHCNVXBGDCHPY-UHFFFAOYSA-N 430.339 4.119 5 20 IIBD Cc1ccc(-c2csc(NC(=O)[C@@H]3CSCN3C(=O)CC(C)(C)C)n2)cc1[N+](=O)[O-] 609297238 XBNBGYPJNWEAME-INIZCTEOSA-N 448.570 4.303 5 20 IIBD C[C@H](c1c(F)cccc1F)N(C)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 609418753 QWRCGXJTLQSZQF-SECBINFHSA-N 435.246 4.017 5 20 IIBD O=C(NCC1(c2cccc(Br)c2)CC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 609646088 BTAQYZTYKHEKIM-UHFFFAOYSA-N 441.285 4.005 5 20 IIBD Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCc4c3cccc4[N+](=O)[O-])cc2)cc1 609973044 ZGPNXWWBTVUDND-UHFFFAOYSA-N 436.489 4.080 5 20 IIBD O=C(CCc1nc(O)c2ccccc2n1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 610365322 NVWZMJZTIXTKQF-UHFFFAOYSA-N 428.448 4.410 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@H](C[C@@H]2CCOC2)C1 611356004 OVTPQRDTQODDSN-CABCVRRESA-N 429.439 4.081 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccccc2Oc2ccccn2)no1 612922148 URLCPCWCFASSFY-AWEZNQCLSA-N 431.408 4.323 5 20 IIBD CN1Cc2cc(-c3csc(NC(=O)c4c[nH]c5cccc([N+](=O)[O-])c45)n3)ccc2NC1=O 619464431 KPFMPDVYDBCJOL-UHFFFAOYSA-N 448.464 4.429 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 730224307 XHJBJORNCKXJMG-QGZVFWFLSA-N 447.221 4.159 5 20 IIBD O=C(OCCc1ccc([N+](=O)[O-])cc1)c1cnn(-c2ncccc2Cl)c1C(F)(F)F 730651769 QXGDUUFEECGWAW-UHFFFAOYSA-N 440.765 4.247 5 20 IIBD CN(C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 731288579 VMMWPQQTFQGIJE-ROUUACIJSA-N 444.896 4.352 5 20 IIBD COc1cc(C(=O)OCc2ccc(SC)c(OC)c2)c([N+](=O)[O-])cc1OC(F)F 731697702 WSGZFALQKPQDPE-UHFFFAOYSA-N 429.397 4.292 5 20 IIBD O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 731968248 PTKRUTRFZINQGV-UHFFFAOYSA-N 443.809 4.105 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCC(c2cc3ccccc3[nH]2)CC1 731995841 DTUDOBOSXVCWNW-UHFFFAOYSA-N 435.452 4.456 5 20 IIBD C[C@@H](C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CCc2ccccc2C1 736067534 RLWLPWCEKACCSP-KRWDZBQOSA-N 445.475 4.199 5 20 IIBD O=C(CCN1C(=O)CCc2ccccc21)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 737520228 SNKQGMIDSZPYKN-UHFFFAOYSA-N 427.888 4.361 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@H]3COc4ccc(Cl)cc4C3)CC2)ccc1[N+](=O)[O-] 739385383 ORFHHJRVRRTFKJ-OAHLLOKOSA-N 446.887 4.020 5 20 IIBD Cc1ccccc1C1(C(=O)OCc2ccc([N+](=O)[O-])cc2Br)CCOCC1 739577554 BSIIKFGTGQVIDZ-UHFFFAOYSA-N 434.286 4.457 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N(C(C)C)C2CCC2)cc1 740789672 SKWWLGQYWPPHAI-UHFFFAOYSA-N 432.498 4.074 5 20 IIBD Cc1ccccc1-n1c(C)nn(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1=S 743391430 UMFKCZIUWOOGAN-UHFFFAOYSA-N 439.541 4.429 5 20 IIBD O=C(NC1(c2ccc(Cl)c(Cl)c2)CC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 743836123 LEHQHOWLWMMZNA-UHFFFAOYSA-N 436.295 4.157 5 20 IIBD CSc1cccc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1 744561715 CZOYVQKFBNAUOT-AWEZNQCLSA-N 429.498 4.101 5 20 IIBD COc1cc(COC(=O)c2nc(C(C)C)ncc2Cl)c([N+](=O)[O-])cc1OC(F)F 744674707 ROHOLDWLGNSBFJ-UHFFFAOYSA-N 431.779 4.129 5 20 IIBD Cc1cc(Br)ncc1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 749413268 LFKKZFHICCENRO-UHFFFAOYSA-N 444.289 4.175 5 20 IIBD COc1ccc(COC(=O)c2cccc(Cl)c2[N+](=O)[O-])c(Br)c1OC 750539436 DKYBNURDUZPFQE-UHFFFAOYSA-N 430.638 4.385 5 20 IIBD COc1cccc2c1OCC[C@@H]2NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 750864272 INVULBIZFDVBHG-LBPRGKRZSA-N 441.665 4.273 5 20 IIBD CN(Cc1ccc(Br)s1)C(=O)c1cc([N+](=O)[O-])ccc1Br 751063957 LWXSLHQINYIYEL-UHFFFAOYSA-N 434.109 4.454 5 20 IIBD COc1cc(C(=O)Oc2cccc(C(=O)N3CCc4ccccc4C3)c2)ccc1[N+](=O)[O-] 751179417 DFMMKDDLEZVRCJ-UHFFFAOYSA-N 432.432 4.021 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@@H]1C[C@H](O)c1cccs1 751191616 UFMBUUROHSRKNU-VGSWGCGISA-N 432.545 4.331 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCC(OC[C@@H]2CCCO2)CC1 751343751 DDQQPTYLZOCQFA-FQEVSTJZSA-N 426.469 4.187 5 20 IIBD CCCc1c(C(=O)O[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cnn1C1CCCC1 751850000 WEQRLGJVXWYTTJ-AWEZNQCLSA-N 444.488 4.052 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N[C@@H](C)c2nc3ccccc3n2C(F)F)cc1[N+](=O)[O-] 752233385 NFSAEPKPABMUMO-JTQLQIEISA-N 444.847 4.341 5 20 IIBD CCOc1cc(COC(=O)[C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)ccc1[N+](=O)[O-] 755548609 IFIHNRAFMYMCDX-MRXNPFEDSA-N 434.489 4.074 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CN(Cc3ccccc3)C[C@@H](O)c3cccs3)n2)cc1 756055364 HYVUXMBQEHRCBC-LJQANCHMSA-N 436.493 4.442 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)N(C)c1ccccc1C(=O)N(C)CCc1ccccc1 756709088 ZTXCMKKQFZGYPR-UHFFFAOYSA-N 447.491 4.195 5 20 IIBD COc1ccc2c(c1)CN(C(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@H](c1ccccc1)C2 759470631 WSOHOVWCQJJNPX-QFIPXVFZSA-N 446.459 4.121 5 20 IIBD C[C@H](Oc1ccccc1Br)C(=O)O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 759931633 LQQDGSMGLGEIBP-NOLJZWGESA-N 438.278 4.048 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(C3=NO[C@H](c4ccccc4)C3)n2)c(Br)c1 762261247 LAWALHISJACQIK-INIZCTEOSA-N 429.230 4.197 5 20 IIBD CN1CC[C@@H](CNC(=O)c2cc(F)c([N+](=O)[O-])cc2F)[C@@H]1c1ccc(Cl)c(F)c1 763221819 MGSQESBNHILNGH-VOJFVSQTSA-N 427.810 4.088 5 20 IIBD Cc1nccn1-c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cn1 763959955 WPNJXGRIBOKAMF-UHFFFAOYSA-N 437.525 4.449 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)ccc1[N+](=O)[O-] 763984600 DQZWIIVZDNBTDV-HNNXBMFYSA-N 443.456 4.217 5 20 IIBD C[C@@H]1CCC[C@@H](OCCCCCC(=O)NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 766616132 ZFFVIVUXRKUAKS-HUUCEWRRSA-N 446.953 4.209 5 20 IIBD Cn1ccnc1[C@@H](NC[C@H](O)c1ccc(-c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 768537924 XTHXDIGTGQYRTG-ZEQRLZLVSA-N 428.492 4.408 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NC[C@@H](O)c1ccc(-c2ccccc2)cc1 768552386 KFXPHTNKDXEKPP-JOCHJYFZSA-N 443.459 4.039 5 20 IIBD COc1ccccc1[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)c1ccco1 769755637 FGLXFWDYTJJQBZ-LJQANCHMSA-N 425.397 4.241 5 20 IIBD CC[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@@H](O)c1c(F)cccc1F 771700557 LHIZPUDXXKEBNY-BLLLJJGKSA-N 447.207 4.017 5 20 IIBD C[C@@H](Nc1ccc(C(=O)O[C@H](C)c2ncc(Cl)n2C)cc1[N+](=O)[O-])c1ccccn1 773889901 VCFRAPWMVJBXQC-CHWSQXEVSA-N 429.864 4.468 5 20 IIBD C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776135191 RJJLYWGAXQHMJL-KXBFYZLASA-N 429.473 4.125 5 20 IIBD CCOC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 776415185 IWCANWIPLCNNCH-IBGZPJMESA-N 426.856 4.306 5 20 IIBD CSc1cccc(C(=O)O[C@@H](C(=O)Nc2cccc(C(C)=O)c2)C(C)C)c1[N+](=O)[O-] 777073637 KHQWNKJKLSADOX-LJQANCHMSA-N 430.482 4.339 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)c1csc(-c2c(F)cccc2F)n1 778788306 TYHRJRDBNWEPES-CQSZACIVSA-N 431.420 4.432 5 20 IIBD O=C(OCc1coc(-c2ccc(F)c(F)c2)n1)c1cc([N+](=O)[O-])ccc1OC(F)F 778888008 PWESORGEAWODCV-UHFFFAOYSA-N 426.278 4.486 5 20 IIBD COc1cc(COc2ccc(C=O)cc2Br)c([N+](=O)[O-])cc1OCC(F)F 779745380 MLNIOVQENZQACD-UHFFFAOYSA-N 446.200 4.401 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCN(Cc2cccc3cccnc23)CC1 780298425 MYQYSWIKZTZIMC-UHFFFAOYSA-N 448.526 4.188 5 20 IIBD COc1cc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)ccc1S(=O)(=O)N(C)C 780780205 KXKKHVDVSUNCJU-UHFFFAOYSA-N 447.538 4.194 5 20 IIBD O=C(NCC1([C@@H](O)c2ccccc2)CC1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 780960260 LMEKBIZWUYSZMF-QHCPKHFHSA-N 434.442 4.203 5 20 IIBD O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781555529 KIVFGPYVXOSMDD-NRFANRHFSA-N 427.420 4.270 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(C(=O)NC2CCCCC2)cc1 781627049 OQTBONGRCVYKMY-UHFFFAOYSA-N 440.456 4.137 5 20 IIBD COc1cccc([C@@H](OC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c2ccncc2)c1 782459697 XLFIEZJRSJUFNO-QFIPXVFZSA-N 430.420 4.131 5 20 IIBD Cc1c(NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cccc1OCC(F)(F)F 784217277 FYVSDYJOIHULPU-UHFFFAOYSA-N 431.754 4.075 5 20 IIBD Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1-c1ccc(Cn2cccn2)cc1 786869042 RZXMYBALWMBRDG-UHFFFAOYSA-N 427.464 4.019 5 20 IIBD CCCCn1ncc(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c1CC 791247558 IJCQTKKAXHQTAD-UHFFFAOYSA-N 435.322 4.115 5 20 IIBD COc1ccc(OC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 792116535 LJZLDAXXFGNXER-XIKOKIGWSA-N 439.251 4.035 5 20 IIBD C[C@@H](c1ccccc1)N(C1CC1)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 796122041 FSQZUWYVORTVAK-LBPRGKRZSA-N 425.304 4.272 5 20 IIBD Cn1nc(C(F)F)c2cc(C(=O)O[C@@H]3CCN(c4ccc([N+](=O)[O-])cc4F)C3)sc21 796864566 WYBBTZJGDOENRA-SNVBAGLBSA-N 440.403 4.055 5 20 IIBD O=C(c1cc(S(=O)(=O)C2CCCC2)ccc1F)N(Cc1ccccc1[N+](=O)[O-])C1CC1 797469165 WYACCOXVBMWAGM-UHFFFAOYSA-N 446.500 4.255 5 20 IIBD O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H](c1c[nH]c2ccccc12)C(Cl)(Cl)Cl 799856041 SUYYBMIMEYXLAB-OAHLLOKOSA-N 448.715 4.466 5 20 IIBD CS[C@@H]1CCC[C@@H](NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 806827251 OQTRIZCKMZBRIA-VXGBXAGGSA-N 428.352 4.099 5 20 IIBD O=C(NC1(c2noc([C@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)n2)CCCC1)c1ccccc1 809507881 UEKCHORDYYVVJA-LJQANCHMSA-N 447.451 4.043 5 20 IIBD CC(C)(C)OC(=O)N1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c2ccccc21 810051632 AIEFAKSGZRZIKU-UHFFFAOYSA-N 427.457 4.223 5 20 IIBD COc1cccc(CO[C@H](C)C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 811220919 UYKKDRBMODSMHU-CQSZACIVSA-N 428.466 4.375 5 20 IIBD C[C@H](C(=O)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1cccc(Br)c1 812607894 BFPIBXGTCNPWGA-LBPRGKRZSA-N 449.257 4.002 5 20 IIBD Cn1[nH]c(-c2ccccc2Cl)nc1=NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813288236 UHRWAAAYBNZAJJ-UHFFFAOYSA-N 426.647 4.025 5 20 IIBD Cc1cccc(CN(Cc2ccccn2)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])c1 815013654 XGKYJAYKYXXTTJ-UHFFFAOYSA-N 449.891 4.482 5 20 IIBD CC(=O)c1ccc(N2CCN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)CC2)c(F)c1 815015319 FRSIYCVHTXPNSB-UHFFFAOYSA-N 425.382 4.278 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nncn1-c1ccc(C(C)C)cc1 819998234 BKBHUMPWDKGVBI-UHFFFAOYSA-N 441.513 4.428 5 20 IIBD CC(C)[C@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)N[C@@H]1CCOc2ccccc21 877196862 LNZIDNGIYFLJDU-APWZRJJASA-N 432.860 4.070 5 20 IIBD CC(C)(C)OC(=O)NCCN1C(=O)c2ccccc2N[C@H]1/C=C\c1ccccc1[N+](=O)[O-] 877852790 FMSIAXATSASRNS-GHYICZDASA-N 438.484 4.027 5 20 IIBD COc1cc(-c2noc(-c3ccc([N+](=O)[O-])c(-n4ccnc4)c3)n2)cc(Cl)c1OC 904404412 FJGRQGSZYZEKDV-UHFFFAOYSA-N 427.804 4.168 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 915002649 DLPXHDIXAZCRKM-CQSZACIVSA-N 446.887 4.413 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)cc1[N+](=O)[O-] 917805786 DNJJAILCPIUDLE-UHFFFAOYSA-N 440.456 4.468 5 20 IIBD CC(C)c1ccc(OC2CCN(C(=O)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1 918275108 OBHMQPABNMZDKH-UHFFFAOYSA-N 445.903 4.380 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)C(=O)NCc1cccs1 919193145 RRLIWDOZXPRQMK-CQSZACIVSA-N 426.450 4.310 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)N(Cn1nc(N3CCCCC3)n(-c3ccccc3)c1=S)CC2 919947352 LLOOWENNIGZGQG-UHFFFAOYSA-N 436.541 4.322 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@H](C(=O)Nc1cc(Cl)ccc1Cl)C(C)C 920906392 BUXBLUDJNJTYPN-KRWDZBQOSA-N 443.287 4.003 5 20 IIBD O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])cc1Cl 921189487 PNJAEHOYHAJZOL-UHFFFAOYSA-N 426.712 4.242 5 20 IIBD Cc1c(C(=O)Oc2ccc(NC(=O)c3cccs3)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 923970401 KOJHEYMBQQEICT-UHFFFAOYSA-N 427.394 4.344 5 20 IIBD CCOC(=O)c1ccc2c(c1)N(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)CCS2 1116746562 UJZQBJSELLCIJU-UHFFFAOYSA-N 445.453 4.049 5 20 IIBD O=[N+]([O-])c1ccc(OCC(F)(F)F)cc1-c1nnc(-c2cnn(-c3ccccc3)c2)o1 1117236600 SSXPHNSTXGYYLJ-UHFFFAOYSA-N 431.330 4.439 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cccc(I)c1C 1320076969 YAGSUMXFKJMHAP-UHFFFAOYSA-N 427.198 4.160 5 20 IIBD COc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@@H]4C4CC4)CCC3)cc2)ccc1[N+](=O)[O-] 1792163948 NOOLEOMTICYSLN-UXHICEINSA-N 449.507 4.397 5 20 IIBD Cc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 1799678526 RBPPQQVWANZROT-ACDBMABISA-N 441.915 4.051 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C2CCCCC2)[nH]n1)c1ccc([N+](=O)[O-])[nH]1 1820366503 SROGUZSFYAESBR-PEKVBPLLSA-N 440.504 4.088 5 20 IIBD O=C(c1cccc(F)c1[N+](=O)[O-])N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CC=CCC2)CC1 1824105812 RRQKTSPPODCHDO-WIYYLYMNSA-N 443.519 4.324 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(C)CC2)CC1 1830730103 YAGDNIOHNRDWOW-LJQANCHMSA-N 431.508 4.076 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1oc2ccccc2c1CSC 9786760 HDHLIURKSITHRT-UHFFFAOYSA-N 430.438 4.008 5 20 IIBD CCOC(=O)c1c(-c2ccco2)csc1NC(=O)COc1cc(F)ccc1[N+](=O)[O-] 10446624 SZLWEMSIFNAGJI-UHFFFAOYSA-N 434.401 4.250 5 20 IIBD O=C(NCCCn1cnc2ccccc21)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 15137518 YYQOTEALEFPFJW-UHFFFAOYSA-N 429.480 4.377 5 20 IIBD O=[N+]([O-])c1cc2c(c(CSCc3cc4c(cc3Br)OCO4)c1)OCOC2 19215694 BJWVSLPTSQQKBD-UHFFFAOYSA-N 440.271 4.386 5 20 IIBD Cc1ccc(C)c2sc(NC(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)nc12 24553255 NBCQTTOQFCIKNR-UHFFFAOYSA-N 440.510 4.353 5 20 IIBD CNC(=O)c1ccccc1NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 27399767 IWZCBBHGJNFVAT-UHFFFAOYSA-N 428.495 4.123 5 20 IIBD O=C(Nc1ccc(N2CCc3sccc3C2)nc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 31283361 YIPMYFQORALZRR-UHFFFAOYSA-N 446.492 4.052 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1cc(Cl)ccc1C(=O)N1CCCCC1 59001329 UIRWJABIEKUCAT-UHFFFAOYSA-N 430.892 4.233 5 20 IIBD CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1cc([N+](=O)[O-])ccc1OC 61205002 REIBVLMYGAQHJJ-UHFFFAOYSA-N 440.283 4.401 5 20 IIBD COC(=O)c1cc(C(C)C)ccc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 61316611 DBJYEVHKOHLFJB-UHFFFAOYSA-N 425.485 4.360 5 20 IIBD CCc1cc(NCc2cccc(NC(=O)[C@H]3CCCO3)c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 63248327 JUTSQFKZROUADL-OAQYLSRUSA-N 447.495 4.344 5 20 IIBD Cc1cc(N2CCSCC2)ccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 65036437 CMPCXRHEJSZJJJ-UHFFFAOYSA-N 426.542 4.309 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCC[C@H]1c1nc2ccccc2s1 68970360 HDIITPAKPGGDAB-IBGZPJMESA-N 438.509 4.018 5 20 IIBD CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 71929121 LNPHBXZVRFRWMK-KRWDZBQOSA-N 438.528 4.043 5 20 IIBD CCCN(CC(=O)Nc1ccccc1C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 98069331 SVSGKNXQXOGAOQ-HNNXBMFYSA-N 432.908 4.234 5 20 IIBD CNC(=O)c1cc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1Cl 108723948 YNKQYXHNRDPBNU-UHFFFAOYSA-N 444.797 4.067 5 20 IIBD Cc1ccc(C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1NC(=O)c1ccco1 108798516 QFXULNQWDBOHEH-UHFFFAOYSA-N 448.391 4.156 5 20 IIBD CC(C)CCSc1ccc(C(=O)N[C@@H](C)C(=O)NCc2ccccc2)cc1[N+](=O)[O-] 108836012 WNKYVVHUPLAZHP-INIZCTEOSA-N 429.542 4.168 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cnn(-c2ccccc2C)c1C(F)(F)F 195711553 WFQLAGFNSNRKMA-UHFFFAOYSA-N 434.374 4.046 5 20 IIBD CN1CCCN(CCCNCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 237172383 MXLXTPVZIZOTQS-UHFFFAOYSA-N 432.952 4.158 5 20 IIBD COc1cc(CNCc2nncn2-c2ccccc2)c([N+](=O)[O-])cc1OCc1ccccc1 237231215 ILDAFBDZFLQIHZ-UHFFFAOYSA-N 445.479 4.053 5 20 IIBD O=C(c1cc(NC2CCN(Cc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-])N1CCCC1 301112188 OMTBHCOPTWHHFY-UHFFFAOYSA-N 426.492 4.046 5 20 IIBD O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 427896610 QZIYHBYUNKDTEI-FCHUYYIVSA-N 442.519 4.251 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCC(Cn4cncn4)CC3)cc2[N+](=O)[O-])cc1 428300831 IMJVROQOEZFNAO-UHFFFAOYSA-N 437.525 4.198 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCc2cc(Cl)cc(Cl)c2[C@H]1C 434594787 IMXPQVBFRSTHQV-VXGBXAGGSA-N 436.295 4.166 5 20 IIBD CCOc1cc(CS(=O)(=O)[C@H](C)c2nc(-c3ccccc3C)no2)ccc1[N+](=O)[O-] 434638219 SJCWGONBSAMOFF-CQSZACIVSA-N 431.470 4.028 5 20 IIBD O=[N+]([O-])c1ccccc1/C=C\c1nc(O)c2cnn(-c3cccc(Br)c3)c2n1 434934760 RBDKXRGITDIHHN-HJWRWDBZSA-N 438.241 4.362 5 20 IIBD O=C(Nc1ccc(CN2CCCC2=O)cc1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 436076065 OMILUPYEVQZCMT-UHFFFAOYSA-N 429.451 4.195 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N1CCc2ncsc2C1 438675348 RYASANOKGPRECE-UHFFFAOYSA-N 445.504 4.031 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCNC(=O)c4ccccc43)cc2[N+](=O)[O-])cc1 438942335 PKNQRLASOBJUAL-UHFFFAOYSA-N 433.489 4.445 5 20 IIBD COCCN(C(=O)[C@H]1OCCc2ccccc21)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 441299839 YNJNXBINYXQULP-FQEVSTJZSA-N 439.493 4.012 5 20 IIBD CC[C@]1(C)Oc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2O1 443577884 RZALKHMXXUONHP-FDDCHVKYSA-N 439.468 4.044 5 20 IIBD C[C@@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1cccc(-n2ccnc2)c1 444116657 HQTJQQICNWUSAZ-OAHLLOKOSA-N 426.451 4.497 5 20 IIBD C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)s1 444278657 UJJIRLXHRMRTQO-ZETCQYMHSA-N 425.713 4.112 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1cccc(-c2ncc3n2CCCC3)c1 444540822 GMEMJYNHCURKNK-UHFFFAOYSA-N 443.463 4.360 5 20 IIBD CCOC(=O)C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 446155962 KSEOBRHDQWJQBG-SFHVURJKSA-N 449.301 4.101 5 20 IIBD CN1CCC2(CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)CC2)C1=O 447082171 MHSDXJJIEBWMDQ-UHFFFAOYSA-N 448.317 4.062 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCO[C@@H](CCc2ccccc2)C1 447688494 HMGKZHPJEGLGMW-AWEZNQCLSA-N 431.361 4.482 5 20 IIBD C[C@H](Oc1ccccc1Br)C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 460350259 QKQINEBHFMPKRJ-SGTLLEGYSA-N 437.315 4.399 5 20 IIBD Cc1c(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 460584563 JFAFBIMVPHKCSQ-FOPRYUNUSA-N 425.876 4.264 5 20 IIBD C[C@@H]1C[C@@H]1[C@@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1 460598887 OAFNHFHZAYXDSC-JRQSSSKMSA-N 443.887 4.450 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC(=O)Nc1cc(C)c(Cl)cc1OC 462641303 NZCLCPKSVBSYTB-INIZCTEOSA-N 447.919 4.279 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 462903694 QQHLLRMDWJUADV-UWJYYQICSA-N 440.500 4.103 5 20 IIBD COc1cc(CCNC(=O)c2cccc(-c3csc(C)n3)c2)c([N+](=O)[O-])cc1OC 463354669 PNRAEVVKFSSHDX-UHFFFAOYSA-N 427.482 4.016 5 20 IIBD COc1c(Cl)cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1Cl 463525641 BSVWKVCLYQDNGV-UHFFFAOYSA-N 428.253 4.259 5 20 IIBD CCN(C(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@H](c1cccnc1)c1ccc(F)cc1F 463845446 NBNSBLGKNRECLS-HSZRJFAPSA-N 440.450 4.342 5 20 IIBD Cn1c(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc2ccc(F)cc21 464432986 BRCPHLPPUVZPPX-UHFFFAOYSA-N 428.367 4.370 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1 467981574 SLRMNOVJTYEUAK-UHFFFAOYSA-N 449.389 4.102 5 20 IIBD COC(=O)COc1ccc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c2ccccc12 468197675 WWWYNGDSEKRNQV-CQSZACIVSA-N 440.477 4.419 5 20 IIBD CCc1nn(-c2ccccc2)c(CC)c1CNC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 468491132 FMCQQVSVTHODEI-UHFFFAOYSA-N 445.479 4.089 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Br)c(OC)c2)cc1OC 471486560 AFLKFLDOGFGKIR-UHFFFAOYSA-N 425.235 4.026 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)cc1OC 471704893 HIQLJSQHBPYOJO-NHCUHLMSSA-N 428.485 4.116 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)cc1C 471869261 GMVPNADREZWBTQ-HXUWFJFHSA-N 431.901 4.328 5 20 IIBD O=C(N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 475881580 NZZDPAIOFBMKCQ-IBGZPJMESA-N 426.270 4.466 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(NC(=O)c3ccccc3)cn2)cc1SC 477888477 DBNHUTWCPGAEAG-UHFFFAOYSA-N 438.465 4.225 5 20 IIBD Cc1nc(CN2CCC(CNC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)CC2)oc1C 477949356 ZVMBUIRVHSRJMT-UHFFFAOYSA-N 443.548 4.032 5 20 IIBD C[C@@H](C(=O)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1F 478439098 VHBLHUUYYTWEOW-ABKXIKBNSA-N 434.773 4.359 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(F)c(NC(=O)c2ccoc2C)c1 481973328 MIPKMYTXGZHQNR-UHFFFAOYSA-N 447.444 4.305 5 20 IIBD O=C(CN1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl 485348899 IFRHFERHZWRQBU-GCJKJVERSA-N 442.947 4.173 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N1C[C@@H](n2cccn2)Cc2ccccc21 485924916 QPHYAHLZILJLMD-LBPRGKRZSA-N 433.287 4.060 5 20 IIBD C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CCO[C@@H](c2ccccc2)C1 486138756 RDBNURZMNBMKIK-FOIQADDNSA-N 438.509 4.119 5 20 IIBD COc1ccc(C[C@@H](C)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1OC 486716538 ZSZUKZLDRLKELK-GFCCVEGCSA-N 426.391 4.126 5 20 IIBD COc1ccc(CNc2cccc(N(C)C(N)=O)c2)cc1OCc1ccc([N+](=O)[O-])cc1 487200255 YHXLCGIIOYOXDG-UHFFFAOYSA-N 436.468 4.309 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1ccc(O[C@@H]2CCOC2)cc1 488482460 VEFQLVDWACRBFZ-QGZVFWFLSA-N 425.363 4.103 5 20 IIBD O=C(c1ccc(N2CC[C@H](Sc3cccc(Cl)c3)C2)c([N+](=O)[O-])c1)N1CCOCC1 488770301 UVNKGSQAOJSTKK-SFHVURJKSA-N 447.944 4.092 5 20 IIBD O=C(NC[C@H]1CCO[C@H]1c1ccccc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 489272554 BCQQPHVOHWLDCW-MYYSRTQBSA-N 434.442 4.467 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2cc(F)ccc2F)nnc1-c1ccc([N+](=O)[O-])cc1 489383654 BAHKSXWUXVJLLN-LLVKDONJSA-N 433.440 4.271 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Nc2cccc(C)c2)CC1 489577013 KRENAEFKUPGDAG-UHFFFAOYSA-N 429.542 4.358 5 20 IIBD CCN(CC)C(=O)COc1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1Cl 497648144 BQVRFDUVKYHPCY-UHFFFAOYSA-N 440.283 4.401 5 20 IIBD COc1cccc(C2CCN(C(=O)c3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])CC2)c1 498474333 PQYUEFLSKOUJMN-UHFFFAOYSA-N 436.411 4.233 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N(Cc1csc(Br)c1)C1CC1 502389810 IGMFYOBXKQPNRT-UHFFFAOYSA-N 448.298 4.477 5 20 IIBD CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1cc(-c3cccc([N+](=O)[O-])c3)[nH]n1)O[C@H](C)C2 502970943 QWWNSNJOTFKILQ-FMEYXAORSA-N 448.479 4.449 5 20 IIBD CCc1ccc([C@@H](NCC(=O)N[C@@H]2CCOc3ccccc32)c2ccc([N+](=O)[O-])cc2)o1 503921583 WHOZKKZZPXBUIJ-YKSBVNFPSA-N 435.480 4.069 5 20 IIBD CCCN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCCN(Cc2ccccc2)C1 505000596 HLRBNMRHWHZXND-HSZRJFAPSA-N 447.539 4.297 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)Nc1cccc(N2CCCC2)c1)c1ccccc1[N+](=O)[O-] 505655192 BXEFUHJGKUQMBH-HXUWFJFHSA-N 440.500 4.400 5 20 IIBD C[C@H](c1ccc(Cl)c(Cl)c1)S(=O)(=O)CCC(=O)Nc1ccccc1[N+](=O)[O-] 507705001 FZFHRXGVMDQMNC-LLVKDONJSA-N 431.297 4.406 5 20 IIBD O=C(Nc1ccc(-c2cnco2)cc1)c1ccc([N+](=O)[O-])cc1I 508982782 WBQRAKYOCVPJRC-UHFFFAOYSA-N 435.177 4.107 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(F)cc1F 509145692 CGPZVDFAFYWZPA-UHFFFAOYSA-N 446.191 4.058 5 20 IIBD COc1ccc(-c2ccc(C)c(NS(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])c2)cn1 509397097 QMSDBMZIPQKZLN-UHFFFAOYSA-N 433.873 4.428 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCC1(c2ccccc2)CCOCC1 509458331 WUIXLHXTVLEMHM-UHFFFAOYSA-N 426.516 4.019 5 20 IIBD O=C(Nc1ccc(NS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1)c1ccc(Cl)cc1 511247084 ANSIUXWVAKLCPW-UHFFFAOYSA-N 447.856 4.007 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 514323556 CBYCEMWZQOEAPF-UHFFFAOYSA-N 442.475 4.202 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 515520676 CQPFLCYFLMEXEF-HXUWFJFHSA-N 432.885 4.325 5 20 IIBD CCCCc1c(C)nc2nc(S[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)nn2c1C 515565263 FIIFFCZONMXYKB-OAHLLOKOSA-N 442.545 4.420 5 20 IIBD C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 518361454 AWBARTBODKSNSO-XOBRGWDASA-N 426.860 4.036 5 20 IIBD COc1cc(C(=O)Nc2nc3c(OC)cc(F)cc3s2)c([N+](=O)[O-])cc1OC(F)F 521405808 ICOVTQLPQDJNSI-UHFFFAOYSA-N 443.359 4.215 5 20 IIBD CCOC(=O)c1cc(C(=O)N2C[C@H](c3ccccc3Cl)OC[C@@H]2C)cc([N+](=O)[O-])c1 521930352 KPFNOCQLNRFCIA-ORAYPTAESA-N 432.860 4.027 5 20 IIBD CCCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 522474962 AYZVHCMFKVAPPQ-NRFANRHFSA-N 427.476 4.086 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@@H](c3ccccc3)[C@@H]3CCCO3)cc2)c(C)c1[N+](=O)[O-] 522570550 XJXNHGNALMNYDE-VXKWHMMOSA-N 434.496 4.107 5 20 IIBD CC(=O)N(Cc1ccc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1)C1CC1 522897862 AIZCDBJTSOZZAI-UHFFFAOYSA-N 431.876 4.167 5 20 IIBD CC(C)N1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CC1=O 523153909 JJFWABHBSWKZGH-CQSZACIVSA-N 433.917 4.139 5 20 IIBD O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 525081258 GBCZPSDWEHOTCY-GOSISDBHSA-N 437.308 4.366 5 20 IIBD COc1ccc([C@H]2CCCN2C(=O)CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1OC 532927590 DOHVFTSEXKLLEZ-OAQYLSRUSA-N 441.528 4.186 5 20 IIBD COCCO[C@H]1CCCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 536373120 AGAVASGWZJIVKY-RXVVDRJESA-N 447.919 4.055 5 20 IIBD COc1cc(OCC(=O)N2CCc3sc(-c4csc(C)n4)cc3C2)ccc1[N+](=O)[O-] 539032880 LMIUAEVHXZLZQE-UHFFFAOYSA-N 445.522 4.061 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1ccc(-c2csc(C)n2)cc1 539279894 CJNTXLVNCPMGTF-CYBMUJFWSA-N 426.498 4.325 5 20 IIBD COc1cc(CN2CC[C@@H]3[C@@H](CCCN3C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 539899727 JTUFMOZRLOYGBX-RBBKRZOGSA-N 425.529 4.099 5 20 IIBD COc1cc(Br)c(S(=O)(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1Cl 540212310 XIGHDEKXABCSPP-UHFFFAOYSA-N 449.710 4.437 5 20 IIBD O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 540560989 LOKCVSFDYSPRTK-UHFFFAOYSA-N 427.339 4.274 5 20 IIBD Cc1cc(CN2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)CC2)no1 543562006 ADAKMBSISXNLLF-UHFFFAOYSA-N 444.557 4.132 5 20 IIBD Cc1c([N+](=O)[O-])cnc(Nc2cccc(NC(=O)[C@H](C)n3cccn3)c2)c1Br 544393729 BRFASIRHJNJPJG-LBPRGKRZSA-N 445.277 4.201 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1noc(Cc2c[nH]c3cccc(Br)c23)n1 544526353 NBHGDXAYRVFLAD-UHFFFAOYSA-N 442.273 4.467 5 20 IIBD Cn1c(-c2nc(-c3ccccc3-c3ccc(CN4CCCC4=O)cc3)no2)ccc1[N+](=O)[O-] 546321936 HAVHWNSHKAOYIH-UHFFFAOYSA-N 443.463 4.440 5 20 IIBD Cc1ccnc2[nH]c(Cc3noc(-c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)n3)nc12 547186538 PFRHEQVMMGEEDR-UHFFFAOYSA-N 433.472 4.052 5 20 IIBD CCOc1ccc(C2(CNC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)CCOCC2)cc1 547245965 RPBYJRVRBOHISY-UHFFFAOYSA-N 444.503 4.275 5 20 IIBD O=C(NCc1cccc(Oc2ccccc2)c1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 551438555 DKLNFVVIGBPLNM-UHFFFAOYSA-N 445.475 4.195 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 554407391 HSBSQDFVOLDLDD-QFIPXVFZSA-N 446.454 4.326 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(OCc2ncc(-c3ccc(Br)cc3)o2)c1 558609599 RTYYLXHAXKEULE-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD O=C(c1cnc(OC2CCCCC2)c(Cl)c1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 559890703 HRCSYOJHLDJRKX-OAHLLOKOSA-N 445.907 4.076 5 20 IIBD COc1cc(Nc2ccc3c(c2)N(CC(F)F)C(=O)CS3)c([N+](=O)[O-])cc1OC 561322922 CUALHPIGWKLDKT-UHFFFAOYSA-N 425.413 4.059 5 20 IIBD Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] 562132115 LBQBEYGFGNXVNZ-UHFFFAOYSA-N 438.528 4.482 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 562232403 OHDIRQBZZBKUNE-FQEVSTJZSA-N 425.485 4.094 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NC[C@@H](Cc2ccccc2)C(F)(F)F)c([N+](=O)[O-])c1 562238601 VELKZGDTELZNCG-MRXNPFEDSA-N 432.402 4.392 5 20 IIBD Cc1cc(N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c2cc([N+](=O)[O-])ccc2n1 565796791 ZIWQSISXRWEFSG-UHFFFAOYSA-N 434.452 4.035 5 20 IIBD COc1ccc(NC(=O)CCN2CCC(c3noc4cc(F)ccc34)CC2)c([N+](=O)[O-])c1 568449119 QXFGVKBGTMEMQF-UHFFFAOYSA-N 442.447 4.092 5 20 IIBD CC(=O)NC1CCC(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 576650886 FRZCPYAMXNBVHY-UHFFFAOYSA-N 431.876 4.218 5 20 IIBD C[C@H](C(=O)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 583730173 ZPLGHPQMKNSZNB-AWEZNQCLSA-N 443.456 4.277 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCc1ccccc1-n1ccnc1C 585698082 LCIVAKPVRYCXRC-UHFFFAOYSA-N 429.274 4.090 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cc(C)nn2-c2ccc(Cl)cc2)cc([N+](=O)[O-])c1 590771907 PSXHYCHCZASOST-UHFFFAOYSA-N 428.832 4.171 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)Cc1ccc(Br)cc1 595553119 CTUIMMVRUNGBNK-NSHDSACASA-N 427.682 4.437 5 20 IIBD CC(=O)N[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(Cl)cc1 603638130 CCIFDCGDMQHZRW-CQSZACIVSA-N 427.791 4.056 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(N2CCc3ccccc3C2)CC1 604482458 JZDPBZISYLKJMW-QGZVFWFLSA-N 425.554 4.125 5 20 IIBD Cc1cccc(C2(CNC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)CCCC2)c1 608875415 NFLMJQUPZFZRFV-UHFFFAOYSA-N 437.496 4.220 5 20 IIBD CCn1c(S[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)nnc1-c1ccc(Cl)cc1 609449830 MXAQBDMYIRLLND-KRWDZBQOSA-N 443.916 4.424 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 609467718 BBEZHMMUSFCPSK-GOSISDBHSA-N 440.283 4.064 5 20 IIBD O=C(c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)N1CC(n2ccnc2)C1 609624622 SFQNYMKRKMEKPE-UHFFFAOYSA-N 437.506 4.249 5 20 IIBD C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccc([N+](=O)[O-])cc1I 609647432 OPTVWBGRWIZPGU-GXTWGEPZSA-N 436.249 4.218 5 20 IIBD CCOc1ccccc1NC(=O)[C@@H](C)SCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 609770756 OACMHUDFWBGTNW-CQSZACIVSA-N 445.497 4.052 5 20 IIBD Cc1cccc(C(=O)NCCNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1 609773647 AEVUWBJEMRTSTN-UHFFFAOYSA-N 434.452 4.247 5 20 IIBD COc1cc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)ccc1OCC(F)(F)F 609784372 SJZAYMXWTXDGJR-UHFFFAOYSA-N 432.782 4.057 5 20 IIBD CC[C@@H](NCc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(I)cc1 610805690 UBSTXQGDGRRFEM-OAHLLOKOSA-N 426.254 4.449 5 20 IIBD CCOC(=O)CC[C@H]1CCCN(C(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)C1 611042858 NEHBCOPHZWUSGQ-CEXWTWQISA-N 445.560 4.273 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CSc1nc(O)c2cnn(-c3cccc(Cl)c3)c2n1 619525493 XJSLOATXTGAUHN-UHFFFAOYSA-N 443.872 4.384 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])c(Br)c1 725937300 PUYSUKMJYBVHCI-VIFPVBQESA-N 443.200 4.128 5 20 IIBD CC(C)Oc1ccc(CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c(C(F)(F)F)c1 726600768 IRHLTHFOYAJQJF-UHFFFAOYSA-N 436.383 4.018 5 20 IIBD Nc1ccc(C(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)cc1[N+](=O)[O-] 728883992 WDENQLFZLWHDIH-UHFFFAOYSA-N 427.464 4.019 5 20 IIBD Cc1c(C(=O)O[C@H](c2ccc(Cl)cc2)c2cccnc2)nnn1-c1cccc([N+](=O)[O-])c1 730427600 AUSJDACVGRIACZ-OAQYLSRUSA-N 449.854 4.479 5 20 IIBD O=C1CN(CN2CCCC[C@@H]2c2cc3ccccc3[nH]2)C(=O)N1c1cccc([N+](=O)[O-])c1 731026144 AKAAWBDYGSLIEB-OAQYLSRUSA-N 433.468 4.029 5 20 IIBD COc1ccc([C@H]2CCCCCN2C(=O)COC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 731527629 JIGSAJRZNOXLLD-HXUWFJFHSA-N 430.432 4.043 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCCc3nnc(S)n3C3CC3)c([N+](=O)[O-])c2)cc1 731903109 XEBQTCZERXKXLH-UHFFFAOYSA-N 438.513 4.025 5 20 IIBD Cc1ncc(/C=C/C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)s1 732756587 CFOXMAUHPFBYCT-KBOKABMXSA-N 429.498 4.001 5 20 IIBD Cc1cc(S(=O)(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)ccc1[N+](=O)[O-] 734740948 YPOLOTQFUSTCIB-UHFFFAOYSA-N 425.438 4.190 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Br)c1cccc(C(F)(F)F)c1 740424054 XGNSUVZKWCNVPR-UHFFFAOYSA-N 432.148 4.416 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cc2C(=O)NCC2CC2)cc1SC 740793612 AIJOAHDMNDRXNQ-UHFFFAOYSA-N 449.916 4.371 5 20 IIBD C[C@H](OC(=O)c1ccccc1Oc1ccccn1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 740999395 ONDWSLLDKJOBIB-ZDUSSCGKSA-N 425.372 4.105 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 741935066 SYFYWSNQXNXPGK-QGZVFWFLSA-N 446.847 4.017 5 20 IIBD CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 741994088 XNUVZTAZEPKLMQ-FQEVSTJZSA-N 437.883 4.252 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@@H](C)OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 745565402 MOAYIKNDPARUAB-LLVKDONJSA-N 426.347 4.115 5 20 IIBD C[C@H](OC(=O)C[C@@H](C)C(=O)c1cccc(F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 746087622 OOSOSTWAZFFVQG-OLZOCXBDSA-N 427.388 4.297 5 20 IIBD COc1c([N+](=O)[O-])cc(NCCCN(C(C)C)C(C)C)c([N+](=O)[O-])c1Br 746392104 SIINTZZUFVWQHG-UHFFFAOYSA-N 433.303 4.195 5 20 IIBD CCOc1ccccc1[C@@H](CC(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 746411386 NQEHVTGCRXJVKY-OAQYLSRUSA-N 441.528 4.347 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C 750575824 BEVAAPHCMFFXGU-RVKKMQEKSA-N 437.562 4.370 5 20 IIBD O=C(Nc1ccc(CCC(F)(F)F)cc1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 753261094 IUAJHWXWMJTOGQ-CYBMUJFWSA-N 439.365 4.220 5 20 IIBD C[C@H](C(=O)OCC(=O)Nc1ncc(C(F)(F)F)cc1Cl)c1ccc([N+](=O)[O-])cc1F 755067152 UESSCIXFAAEJMX-QMMMGPOBSA-N 449.744 4.087 5 20 IIBD C[C@H](NC(=O)COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1ccc(Cl)cc1Cl 756767435 YEUINHPYOZKMLR-JTQLQIEISA-N 436.251 4.417 5 20 IIBD O=C1CC[C@@]2(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)Sc3ccc(Cl)cc3N12 756989677 CYQWINQOXKKCHN-SFHVURJKSA-N 438.292 4.147 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N2CCCCC[C@@H]2C[C@@H](O)c2ccco2)c([N+](=O)[O-])c1 759248562 PRDUKDBCPKLTDK-YLJYHZDGSA-N 438.484 4.025 5 20 IIBD Cc1ccc(-c2noc(Cc3noc(CCOc4ccc(Cl)cc4[N+](=O)[O-])n3)n2)cc1 761387376 MKATVIWTTXOSHX-UHFFFAOYSA-N 441.831 4.202 5 20 IIBD Cc1cnc(O)n1-c1ccc(-c2noc(Cn3c4ccccc4c(=O)c4ccccc43)n2)cc1 761831391 XEHXRWUFWTZXGE-UHFFFAOYSA-N 449.470 4.453 5 20 IIBD CN1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@H]1c1ccc(Cl)c(F)c1 764323001 MWQOGFVOBQJHLL-FZKQIMNGSA-N 426.275 4.464 5 20 IIBD Cc1ccccc1-c1nnc(C)n1-c1ccc(OC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 766561117 SZNMGHRZNJQVJA-UHFFFAOYSA-N 444.447 4.444 5 20 IIBD Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(C2CCCC2)c1C 766578256 UEHZGHKCUCKBCN-UHFFFAOYSA-N 443.323 4.087 5 20 IIBD CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)[C@H](CCO)c1ccccc1 767800161 DWSKKVXZBHDWNY-CQSZACIVSA-N 427.682 4.206 5 20 IIBD O=C(c1ccc(-n2cnc3ccccc32)nc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 768420944 JUGJKKOLUFAVFP-UHFFFAOYSA-N 443.463 4.012 5 20 IIBD C[C@H](Oc1cccc2ccccc12)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 769356000 MDOQOTQEOOXHBK-ZDUSSCGKSA-N 428.828 4.351 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)c1 769750428 BAXWPJYXKDLADR-UHFFFAOYSA-N 437.562 4.426 5 20 IIBD O=[N+]([O-])c1ccc2nc(NCc3ccc(Br)cc3N3CCOCC3)sc2c1 770470799 KWDKRNPOHDMXOT-UHFFFAOYSA-N 449.330 4.416 5 20 IIBD Cc1ccc(C)c(NC(=O)[C@H](C)OC(=O)c2sc(Br)cc2[N+](=O)[O-])c1 773597757 LSOZLYJPUOQAHY-JTQLQIEISA-N 427.276 4.220 5 20 IIBD O=C(O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1ccc(OCC(F)(F)F)nc1 776139397 UQYHGZZEPAZDHK-GOSISDBHSA-N 433.342 4.272 5 20 IIBD O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1coc(-c2ccccc2Cl)n1 776443409 HSZMZIVEVPPHDA-UHFFFAOYSA-N 443.799 4.058 5 20 IIBD O=C(NCC1(c2ccc(F)cc2F)CCCC1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 777171843 GHIMHMFFCBGXLU-UHFFFAOYSA-N 437.830 4.093 5 20 IIBD CC(C)n1ncc2c(C(=O)O[C@H]3CCN(c4ccc([N+](=O)[O-])cc4)C3)cc(C3CC3)nc21 778786541 MWQPMYRPIAVGIK-SFHVURJKSA-N 435.484 4.234 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(n2ccc(C(F)(F)F)n2)CC1 778969489 MWLQAEJZUSEPEA-LLVKDONJSA-N 445.829 4.128 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 780759296 BANHHHQUDBYPLG-XMMPIXPASA-N 430.479 4.406 5 20 IIBD C[C@H](NC(=O)COC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccccc1Cl 781259300 DPPXYRWNJIEURQ-AWEZNQCLSA-N 434.879 4.369 5 20 IIBD Cc1nn(C)c(C)c1[C@H](OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(F)(F)F 781514151 KMFHNEDYOABBSI-FQEVSTJZSA-N 429.398 4.492 5 20 IIBD CCOc1cccc2cc([C@@H](C)NC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])oc12 781583540 GQDZKWCTKOMNDL-CYBMUJFWSA-N 427.413 4.458 5 20 IIBD O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccc(C(=O)c2cccc(O)c2)cc1 781919148 HMZAUKFHISLPFK-UHFFFAOYSA-N 428.404 4.174 5 20 IIBD CCOc1ccc(CCNC(=O)c2cccc([N+](=O)[O-])c2Br)cc1OCC 782117807 PSULLBJNMSNDHI-UHFFFAOYSA-N 437.290 4.127 5 20 IIBD O=C(CCN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)Nc1cc([N+](=O)[O-])ccc1F 782525807 BFKPGVWONMNRCA-LLVKDONJSA-N 446.426 4.417 5 20 IIBD COC(=O)COc1ccc(CN2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1[N+](=O)[O-] 789538215 IVULLEALNAOCRG-MRXNPFEDSA-N 438.402 4.155 5 20 IIBD COc1ccc(OCCCC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cc1 791173105 AAYWNXAOICSXSJ-UHFFFAOYSA-N 449.301 4.110 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2C(=O)OCc2ccccc2)cc1SC 791961912 REEXNUVGBGIZNS-KRWDZBQOSA-N 444.509 4.063 5 20 IIBD CCCN(CC)C[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 794270483 GYGBYELPWRSJKF-HNNXBMFYSA-N 446.935 4.351 5 20 IIBD O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)Nc1cccc(C(F)F)c1 795311217 HFBWEHVSNUXLMY-UHFFFAOYSA-N 425.182 4.235 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)NOCc1ccc(F)cc1Br 799234912 PPLVCOGNWNXJAV-UHFFFAOYSA-N 428.214 4.148 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCC[C@H](C)c1cccc(C(F)(F)F)c1 800613710 HRLQRGYIZGDWNY-NSHDSACASA-N 441.381 4.310 5 20 IIBD Cc1[nH]c(C=O)cc1C(=O)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 801409557 VSIHTSFBEIGODE-IBGZPJMESA-N 441.827 4.234 5 20 IIBD CCOc1cc(C(=O)OCC(=O)c2cccc(Cl)c2Cl)c([N+](=O)[O-])cc1OC 801812791 LBFJXPLWWFGQGF-UHFFFAOYSA-N 428.224 4.349 5 20 IIBD COc1cc(CNc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)c([N+](=O)[O-])cc1O 812786026 XXXHUIICLDDHTO-UHFFFAOYSA-N 445.472 4.051 5 20 IIBD O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 812841284 UOKLHHGHZPSKQI-UHFFFAOYSA-N 436.295 4.458 5 20 IIBD C[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1Br 816796744 NEQREWWJHVPQRZ-GFCCVEGCSA-N 444.326 4.171 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cccc(C4OCCO4)c3)cc2[N+](=O)[O-])C1 819532021 PRBYKEGHUVROFD-HOTGVXAUSA-N 425.485 4.375 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c(F)c1 826130212 FKRMDWXTZOZTQE-INIZCTEOSA-N 443.475 4.463 5 20 IIBD CC(C)[C@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCOc2ccccc21 877053633 UQEVCQCGATYANB-APWZRJJASA-N 432.860 4.070 5 20 IIBD CCc1cccc2c(C(=O)[C@@H](OC(=O)Cn3cc([N+](=O)[O-])cn3)c3ccccc3)c[nH]c12 913303464 TUZALGGZGTUVOR-QHCPKHFHSA-N 432.436 4.002 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCCOc1ccc2ccccc2c1 914853396 IJOIVACGZKOUIU-UHFFFAOYSA-N 436.420 4.058 5 20 IIBD COc1ccc(CSCC(=O)OCC(=O)c2cccc3ccccc23)cc1[N+](=O)[O-] 914917557 MTBPLUDWKRKAPL-UHFFFAOYSA-N 425.462 4.416 5 20 IIBD Cc1ccc(-c2nc(CC(=O)O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)cs2)o1 914964917 ZALCEZGQSMHLAT-ZDUSSCGKSA-N 429.454 4.041 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1I)N(Cc1ccco1)c1ccccn1 916052477 BUPXKIXOUHEIFB-UHFFFAOYSA-N 449.204 4.034 5 20 IIBD O=C(CN1CCCCCC1)Nc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 916398841 QKGJLZCSKSQIIC-UHFFFAOYSA-N 430.892 4.315 5 20 IIBD COc1cc([C@H](C)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1OCCC(C)C 916448207 OKRXDFUFXHYLFR-AWEZNQCLSA-N 431.445 4.428 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 916535813 KJSDPNBYWJCZQG-CABCVRRESA-N 444.484 4.239 5 20 IIBD Cc1c(OC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cccc1[N+](=O)[O-] 917050083 LBCRJACZUZYYPP-UHFFFAOYSA-N 436.386 4.380 5 20 IIBD C[C@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 917700632 MOBVPJLJFMQPKL-NSHDSACASA-N 426.351 4.201 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 918876222 XZISVDONLXRLKI-KGLIPLIRSA-N 436.917 4.492 5 20 IIBD C[C@@H](OC(=O)c1cc2ccccc2n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 919596878 UILIHZAHAPAUFF-LLVKDONJSA-N 435.358 4.289 5 20 IIBD O=C(NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 921169563 VYHAZOSVVAJPFN-KRWDZBQOSA-N 442.947 4.495 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)NC1(c2ccc(NC(=O)C34CC(F)(C3)C4)cc2)CCC1 1786421332 AANSKIQCTICBKM-SOFGYWHQSA-N 439.443 4.227 5 20 IIBD O=C(Cc1cccnc1)Nc1ccc(C2(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)CCC2)cc1 1788269819 KJCXQYOQTGJSCH-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3c[nH]c4ncccc34)cc2)CCC1)c1ccc([N+](=O)[O-])o1 1788949028 XMDBWVUCQIRVFU-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD CCCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2ccc(C)c([N+](=O)[O-])c2)cc1 1800137836 CRVNZPRLSNURLB-NUNAXRQHSA-N 449.551 4.350 5 20 IIBD CC1=CC[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2c(F)ccc([N+](=O)[O-])c2C)CC1 1800699858 DIRROGUVIVXSSY-ZJPYXAASSA-N 429.492 4.041 5 20 IIBD Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)C3=CCCC3)CC2)cc1[N+](=O)[O-] 1826277844 KUJRKCQXEDSHLN-JOCHJYFZSA-N 439.556 4.176 5 20 IIBD Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1 1830058240 MDEQVSPQKAYJRU-IBGZPJMESA-N 425.485 4.043 5 20 IIBD CC(C)/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1832513013 YEHNBTYOENLPSM-BXKJMJEDSA-N 431.508 4.179 5 20 IIBD CC(C)c1ccc(C(=O)N2CCCC23CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C3)cc1 1844949224 AZBYOSMOXPELTJ-UHFFFAOYSA-N 435.524 4.168 5 20 IIBD Cc1cccc(C(=O)OCC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)c1[N+](=O)[O-] 10330987 CNUUPVNBYPBPGH-LJQANCHMSA-N 428.441 4.166 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Sc2nc(/C=C/c3ccccc3)n[nH]2)c([N+](=O)[O-])c1 12837070 FDPKZEXSYHCUDB-RUNBWSAHSA-N 425.470 4.011 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)COc1ccc2ccccc2c1)c1ccccc1[N+](=O)[O-] 12861139 JYYSXGNYTVIODR-NRFANRHFSA-N 436.464 4.326 5 20 IIBD O=C(CN1CCN(c2ccccc2[N+](=O)[O-])CC1)Nc1ccc(Cl)cc1C(F)(F)F 16565235 VVZLOKMEDCXMOZ-UHFFFAOYSA-N 442.825 4.028 5 20 IIBD Cc1ccc(-c2nc(CC(=O)OCC(=O)Nc3c(C)cccc3[N+](=O)[O-])cs2)cc1 17205453 YAPZCNZDFROTLE-UHFFFAOYSA-N 425.466 4.060 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(Nc2cccc(F)c2)s1 22171103 MLJRVQHPUHVZAG-SNVBAGLBSA-N 449.489 4.457 5 20 IIBD CSc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1[N+](=O)[O-] 22523462 QWGDVFHJCVVKBG-HNNXBMFYSA-N 443.525 4.491 5 20 IIBD CCOC(=O)c1cc(C(=O)OCc2csc(-c3ccc(F)cc3)n2)cc([N+](=O)[O-])c1 24724442 DNNRPRZKBKIKNX-UHFFFAOYSA-N 430.413 4.391 5 20 IIBD NC(=O)N[C@H](CC(=O)OCc1ccccc1[N+](=O)[O-])c1cccc(Oc2ccccc2)c1 26543834 FLDIZLDYUIGRKR-HXUWFJFHSA-N 435.436 4.230 5 20 IIBD COc1cc(C(=O)Nc2cccc(OCC(F)(F)F)c2)c([N+](=O)[O-])cc1OC(F)F 27074396 FHVHFDADGNMGLU-UHFFFAOYSA-N 436.289 4.398 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N[C@H]3CCc4nc(C)ncc4C3)cc2[N+](=O)[O-])cc1 30779993 QGBSIJICPWCYCY-SFHVURJKSA-N 434.521 4.440 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccc([N+](=O)[O-])s1 58058925 CNEXRZWFLYVVJV-UHFFFAOYSA-N 437.886 4.363 5 20 IIBD Cc1cc(NS(=O)(=O)c2cc(Cl)sc2Cl)n(-c2ccc([N+](=O)[O-])cc2)n1 60544845 IGGBAQOJKJLHBZ-UHFFFAOYSA-N 433.298 4.258 5 20 IIBD COc1ccc(Nc2ccc([N+](=O)[O-])c3cnccc23)cc1S(=O)(=O)N1CCCCC1 104864421 ATYXEGBAQXHQPP-UHFFFAOYSA-N 442.497 4.070 5 20 IIBD Cc1cc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)n(Cc2ccccc2)n1 105730218 BJWRBUNESGGDGW-UHFFFAOYSA-N 444.495 4.262 5 20 IIBD CCCn1c2ccccc2c2nnc(S[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])nc21 105815712 FEFGOUIGFPWXEB-ZDUSSCGKSA-N 436.497 4.417 5 20 IIBD CCOC(=O)N(C)c1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 108808928 KXTVUNXHQWVHST-UHFFFAOYSA-N 429.476 4.386 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1[N+](=O)[O-] 112662531 RRPQSYJDROLMHY-UHFFFAOYSA-N 444.366 4.048 5 20 IIBD O=C(c1cc(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)ccc1[N+](=O)[O-])N1CCCC1 301779213 QJSGCTMWNFYDPA-UHFFFAOYSA-N 448.445 4.176 5 20 IIBD Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)C2)c1 303802188 LUVGUGAMVXCLAR-OAQYLSRUSA-N 437.540 4.203 5 20 IIBD COc1cc(C(=O)N2[C@H]3CC[C@H]2CC(=O)C3)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 430443298 UFGQSROBWVEDJZ-GJZGRUSLSA-N 430.844 4.385 5 20 IIBD CCCc1c(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])cnn1-c1ccc(C)cc1 431893328 DIJSLKUZCNXRJG-UHFFFAOYSA-N 428.514 4.026 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N(Cc2cccnc2)C2CC2)c([N+](=O)[O-])c1 432138483 XRTDFUVCWFNNNB-UHFFFAOYSA-N 431.448 4.176 5 20 IIBD Cc1ccc(-n2cc(C)cn2)c(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 435524845 BOASCXXAXDZCGF-UHFFFAOYSA-N 435.484 4.473 5 20 IIBD CCOc1cc(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)ccc1OC(F)F 438008145 FNBSEDQPZDXOQU-UHFFFAOYSA-N 435.427 4.469 5 20 IIBD CC(C)CCOc1cccc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 438666696 VPPWBBFPPODYPG-UHFFFAOYSA-N 427.501 4.395 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 441760621 OFHQMFDLBMBSGU-OPAMFIHVSA-N 425.489 4.133 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CNC(C)(C)Cc1ccc(C(F)(F)F)cc1 442789285 YRFSMTRXSYWCDX-UHFFFAOYSA-N 425.407 4.172 5 20 IIBD O=C(c1cc(N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)ccc1[N+](=O)[O-])N1CCCC1 443893173 COQZJSGGEKJNQJ-HNNXBMFYSA-N 438.459 4.495 5 20 IIBD Cc1ccc(CN2CCOCC2)cc1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 444082837 BBIDXFLKPPAHAB-UHFFFAOYSA-N 427.504 4.074 5 20 IIBD Cc1cc(Br)ccc1-c1noc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)n1 445463741 JVXBFJGZLUQTIS-NSHDSACASA-N 431.246 4.207 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCc2c(Cl)cc(Cl)cc2[C@H]1C 446448374 MXRMLJFNIRCHPS-NWDGAFQWSA-N 436.295 4.166 5 20 IIBD Cc1cccc(N(CCC(N)=O)C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 447341356 FBPLNBPDTICUJB-UHFFFAOYSA-N 433.464 4.004 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3cc([C@@H]4CCCO4)nn3C)cc2[N+](=O)[O-])n1 447654419 XQCRSAJZZIFBGB-HNNXBMFYSA-N 445.526 4.348 5 20 IIBD Cc1ccc(NC(=O)CSc2nnc(NCc3ccc(C)c([N+](=O)[O-])c3)s2)c(C)c1 447953626 UGIJQOVFAMEBBK-UHFFFAOYSA-N 443.554 4.714 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H](c2ccc(F)cc2)C(C)C)cc1OC 448512150 XSPRVFMKDRZNHA-OAQYLSRUSA-N 434.464 4.237 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c2ccccc2NC1=O 460110984 PTMRQIKULOSYJM-ZACQAIPSSA-N 436.512 4.312 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 462618133 DOSJYAVRUVIDHM-DLBZAZTESA-N 433.455 4.160 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1Oc1ccnc(C(=O)NC)c1 462621925 SSZYISHXSLHCLF-KRWDZBQOSA-N 448.479 4.349 5 20 IIBD C[C@H]1CCCN(c2cc(C(=O)N(Cc3ccccc3[N+](=O)[O-])CC(F)(F)F)ccn2)C1 463428918 GWQBYVUDQONSFQ-HNNXBMFYSA-N 436.434 4.431 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CCCC[C@H]1N(C)C1CCN(C)CC1 463949476 JMNFBNBGFSEVBD-RTWAWAEBSA-N 431.581 4.013 5 20 IIBD C[C@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Oc1ccc(Br)cc1 464639989 QROMAPFUUYUVEB-CQSZACIVSA-N 448.317 4.155 5 20 IIBD O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465714146 DALXTIUZOMBQOJ-FCHUYYIVSA-N 443.475 4.207 5 20 IIBD COC[C@@H]1CCCCN(C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 466853859 OPAYYPHNRYIURO-MRXNPFEDSA-N 442.537 4.436 5 20 IIBD Cc1csc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1I 468836651 DQIGCGPYWPVJMT-UHFFFAOYSA-N 442.278 4.374 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCCCC[C@@H]3c3ncon3)cc2[N+](=O)[O-])C1 469810726 SAZOEOOJFHTMGO-GPMSIDNRSA-N 427.505 4.218 5 20 IIBD CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)[C@@H]1c1ccccc1OC 475303328 HPKBGCHLAXFYKX-VGSWGCGISA-N 440.500 4.025 5 20 IIBD CCOCCOc1ccc(Br)cc1NC(=O)c1cccc([N+](=O)[O-])c1OC 476620301 QAIRTMZOPJXTLT-UHFFFAOYSA-N 439.262 4.034 5 20 IIBD Cc1coc(-c2cc(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)ccc2C)n1 478493924 DTFCFNDNVMQUTP-OAQYLSRUSA-N 448.479 4.418 5 20 IIBD Cc1ccc(I)cc1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] 481328342 BYNKEXXXRICYFP-UHFFFAOYSA-N 439.253 4.214 5 20 IIBD COc1ccccc1[C@@H](C)NC(=O)CSc1ccc(Br)cc1[N+](=O)[O-] 485272575 MXEJKLLAMHQMSL-LLVKDONJSA-N 425.304 4.335 5 20 IIBD O=C(c1ccc(I)c(F)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 486099311 WSUPPUOWACJUQE-UHFFFAOYSA-N 440.212 4.143 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1csc(N2CCCC2)n1 486804404 LLAMZETZGRYKJE-UHFFFAOYSA-N 434.587 4.372 5 20 IIBD COC(=O)c1cc(NC(=O)NC(C)(C)c2nc(C(F)(F)F)cs2)c(C)c([N+](=O)[O-])c1 486883151 JKWBUWUYSLKMRC-UHFFFAOYSA-N 446.407 4.222 5 20 IIBD COc1cc(CN(C)[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)ccc1O 487507152 HKBFGFAPDIKPKT-HSZRJFAPSA-N 435.480 4.429 5 20 IIBD COc1ccc(COc2cccc(F)c2)cc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 488464491 WWOOSGQJMUNZCT-UHFFFAOYSA-N 440.383 4.303 5 20 IIBD CCOc1cc(C(=O)Nc2ccnc(Sc3ccccn3)c2)c([N+](=O)[O-])cc1OC 489937711 ZFIFITBOTMQDHN-UHFFFAOYSA-N 426.454 4.196 5 20 IIBD C[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1OCc1ccccc1 490116099 ALMHURQPULNWGN-MRXNPFEDSA-N 434.448 4.436 5 20 IIBD CN1CC[C@H]2CCN(C(=O)c3ccc(NCc4ccccc4Cl)c([N+](=O)[O-])c3)[C@H]2C1 493439974 QFVOLLICMULBIE-BTYIYWSLSA-N 428.920 4.027 5 20 IIBD C[C@@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccc2c(c1)CC(=O)N2 494409454 BMYCBRLVHZRDGD-OAHLLOKOSA-N 431.448 4.159 5 20 IIBD CCN(CC)S(=O)(=O)c1cc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1Cl 498077087 ZSPQDUIITQISSQ-UHFFFAOYSA-N 446.312 4.184 5 20 IIBD COc1cc(C(=O)NCCc2cccc(OCc3ccccc3)c2)cc([N+](=O)[O-])c1OC 498215120 BUTMLFZPPIDGKL-UHFFFAOYSA-N 436.464 4.164 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(c2c[nH]c3ncccc23)CC1 498481458 DFUIAAFOWVWAKW-UHFFFAOYSA-N 427.892 4.256 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 498846438 QUDGSYOZGFXDLD-ACJLOTCBSA-N 438.452 4.277 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)c(F)c1 503220811 IXYPJOKHKYCOBR-SFHVURJKSA-N 435.864 4.045 5 20 IIBD CN1CCC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3Cl)C2)C1 505656470 FTFFJOHEKYGMJH-HSZRJFAPSA-N 442.947 4.418 5 20 IIBD O=C(CNc1cc(Cl)ccc1OCC(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc21 508945189 BVMLZHWFENLNSO-UHFFFAOYSA-N 429.782 4.191 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 509305748 NRMXZXSDZBPKSV-MRXNPFEDSA-N 444.340 4.076 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)c([N+](=O)[O-])c1 509581590 CVKMLDKYXMQTCP-INIZCTEOSA-N 431.514 4.027 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 511637284 ANLNGFBVRXYSHG-UHFFFAOYSA-N 435.845 4.203 5 20 IIBD COc1cc2c(c(OC)c1OC)CCN(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC2 514176187 MEDMQZFUFDJBGP-UHFFFAOYSA-N 426.391 4.245 5 20 IIBD CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 515763188 FQMBWRKXCNFTGT-UHFFFAOYSA-N 439.859 4.431 5 20 IIBD NC(=O)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cc1 517297633 RMTSDZJALZTCCJ-UHFFFAOYSA-N 437.477 4.253 5 20 IIBD Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)C(=O)Nc3cc([N+](=O)[O-])ccc3C)s2)cc1 518105857 IKRPYNBWGREODC-AWEZNQCLSA-N 438.509 4.459 5 20 IIBD Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)c2ccc([N+](=O)[O-])n2C)C3)cc1 518294891 LNHANAZJUJJWFX-UHFFFAOYSA-N 433.468 4.084 5 20 IIBD CCCc1[nH]nc(C(=O)Nc2ccc3nc(-c4cc(F)ccc4F)[nH]c3c2)c1[N+](=O)[O-] 518335390 FTPLCSRMFZREHI-UHFFFAOYSA-N 426.383 4.344 5 20 IIBD O=C(Nc1ccc(SCc2cccnc2)cc1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 520228638 BCBDFBLYTKKCLX-UHFFFAOYSA-N 432.465 4.115 5 20 IIBD CCN(CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc([N+](=O)[O-])cn1C 520987454 WJDKTDBKROFEGZ-UHFFFAOYSA-N 427.332 4.224 5 20 IIBD C[C@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 521246774 QLIXCSLHLYISBH-FCGDIQPGSA-N 439.560 4.259 5 20 IIBD CCOc1ccccc1[C@H](CC)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 522570570 YLZHMFFCHCEBOG-PZJWPPBQSA-N 439.512 4.174 5 20 IIBD CN(C)C(=O)c1ccc(NC(=O)CNc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 522692560 NUHNYVHMYFZAKD-UHFFFAOYSA-N 434.452 4.140 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC1(c2ccc3c(c2)OCCO3)CCCC1 523949992 JNKYNPJNFOEEFN-UHFFFAOYSA-N 446.887 4.374 5 20 IIBD O=C(Nc1nc(-c2ccc(Br)cc2)n[nH]1)c1cc2cc([N+](=O)[O-])ccc2o1 524131865 QAFBQIKAGRTFLI-UHFFFAOYSA-N 428.202 4.141 5 20 IIBD CC(C)(C)NS(=O)(=O)c1ccccc1CNc1ccc(Br)cc1[N+](=O)[O-] 524161547 AYPPSJAYUDMFMC-UHFFFAOYSA-N 442.335 4.046 5 20 IIBD Cc1ccc(NCCCNC(=O)NCc2csc(Br)c2)c([N+](=O)[O-])c1 524808254 WWHQZFQMFNNBAP-UHFFFAOYSA-N 427.324 4.029 5 20 IIBD O=C(NC1CCC(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)CC1)C1CCCC1 525082425 GBGUKZSPUBXNOJ-CWZMJNCASA-N 431.558 4.034 5 20 IIBD CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 531204581 YLNFAEJXBAPONP-IRXDYDNUSA-N 426.517 4.063 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCSC[C@@H]1c1ccc(Cl)cc1 532981012 XKABVNLQZJPJLM-GOSISDBHSA-N 435.933 4.376 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 533934421 KZPCZJWJOJWLMM-YADARESESA-N 432.524 4.132 5 20 IIBD COC(=O)[C@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(Br)cc1 534845045 XUXIOQGOEPSVJG-QGZVFWFLSA-N 446.257 4.016 5 20 IIBD O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 535835276 QBENLGGUUDMPGY-UHFFFAOYSA-N 441.803 4.371 5 20 IIBD C[C@H](C(=O)Nc1cccc(Cl)c1)[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 536304446 ARGYPFBEFVPDME-ZNNHIBJESA-N 433.873 4.179 5 20 IIBD CS(=O)(=O)Nc1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 539431089 YNEOEAGGTSGNTA-UHFFFAOYSA-N 435.889 4.170 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CCO[C@@]4(CCOC4)C3)o2)c(Br)c1 539979791 SFGOONAXZOSZOJ-DJJJIMSYSA-N 437.290 4.045 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccc(F)cc1OCC(F)F 540196210 DYBFJWJANALVHQ-UHFFFAOYSA-N 433.180 4.322 5 20 IIBD COCC1(C)CCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1 540235072 JHWLBJJTEJUFOT-UHFFFAOYSA-N 443.466 4.105 5 20 IIBD CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 542552464 XXRKNGYLNOICKU-IRXDYDNUSA-N 433.574 4.254 5 20 IIBD O=C(N=c1nc(Cc2ccc(F)cc2F)[nH]s1)c1cc2cc([N+](=O)[O-])ccc2s1 542578629 QDHPTSAUFWZZRG-UHFFFAOYSA-N 432.433 4.204 5 20 IIBD C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 542656592 BYMRFTSVPXZVLH-JKSUJKDBSA-N 433.574 4.396 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CN3CCO[C@H](c4ccc(C(F)(F)F)cc4)C3)n2)c1 543874629 HGXKHGNLDGALGV-KRWDZBQOSA-N 434.374 4.237 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cn(C(C)(C)C)nc1-c1ccc(F)cc1F 544123425 JCGVVVLCMVLHBY-UHFFFAOYSA-N 444.438 4.430 5 20 IIBD COc1cccc(OC)c1Oc1ccc(CNc2ncnc3cccc([N+](=O)[O-])c23)cn1 544410106 WMSNJOYXAVYIQM-UHFFFAOYSA-N 433.424 4.355 5 20 IIBD COC(=O)c1cc(C(=O)N2CC=C(c3cccc(Br)c3)CC2)cc([N+](=O)[O-])c1 545106906 BMRXCLIBTHYPHT-UHFFFAOYSA-N 445.269 4.073 5 20 IIBD Cc1ccc(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)cc1NC(=O)c1ccco1 545674038 MGSRODONYXIQOI-UHFFFAOYSA-N 433.424 4.453 5 20 IIBD CNc1ccc(-c2nc(-c3ccc(N(C)C(=O)c4ccncc4)cc3)no2)cc1[N+](=O)[O-] 545719780 BSVSUPTVLWGJSD-UHFFFAOYSA-N 430.424 4.025 5 20 IIBD O=C(NC1Cc2ccccc2C1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 547243663 GIKWVWPHYJXQQF-UHFFFAOYSA-N 433.430 4.114 5 20 IIBD Cc1c(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)nnn1Cc1ccccc1F 549123690 JLAYBQAUFWCNDV-UHFFFAOYSA-N 438.444 4.058 5 20 IIBD O=C(NCCC1(O)CCOCC1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 552647292 IJXYLSYMAPPJHH-UHFFFAOYSA-N 436.917 4.061 5 20 IIBD COc1ccc(CN[C@@H]2CCOC3(CCOCC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 553877815 PTEUEBHNSMAUKN-HXUWFJFHSA-N 442.512 4.000 5 20 IIBD Cc1cc(CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])nc(N2CCCC2)n1 554008646 HPEDGKMQIWHOAS-UHFFFAOYSA-N 449.536 4.375 5 20 IIBD CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 556522132 XHAOCGVBEHHDRW-KRWDZBQOSA-N 448.317 4.084 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1cc(OC)c(OC)cc1SC 558853508 AYTCTFXPMWTEGH-UHFFFAOYSA-N 443.529 4.249 5 20 IIBD COc1ccc(-c2cc(C(=O)N(C)c3ccc([N+](=O)[O-])nc3)nn2-c2ccccc2)cc1 565917467 QRMSSIWYLWCRJB-UHFFFAOYSA-N 429.436 4.128 5 20 IIBD CCC(=O)Nc1ccc(C)c(NCc2cc(I)cc([N+](=O)[O-])c2)c1 566648890 DPBBQVCXSARFEM-UHFFFAOYSA-N 439.253 4.468 5 20 IIBD Cc1cc(CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc(N2CCCC2)n1 571456596 LHQWCHMZXDNEKH-UHFFFAOYSA-N 437.544 4.065 5 20 IIBD CC[C@H](c1ccccc1OC)N(C)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 578279811 BFTAGBPAXMNYLC-MRXNPFEDSA-N 441.513 4.106 5 20 IIBD CC(C)c1nc(C2CCN(C(=O)Cn3c4ccccc4c(=O)c4ccccc43)CC2)no1 578681423 YXEADKSNJVDNEB-UHFFFAOYSA-N 430.508 4.067 5 20 IIBD CN(C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)c1ccc([N+](=O)[O-])nc1 582145408 GCQDGTXGFBBEDA-UHFFFAOYSA-N 433.399 4.486 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 582187246 KSJZDPLIHKWWKO-ZDUSSCGKSA-N 440.905 4.027 5 20 IIBD C[C@@H](C(=O)Nc1ccnn1Cc1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 583358819 IMOYCFSNBUKFBY-CYBMUJFWSA-N 429.274 4.344 5 20 IIBD CC(C)NC(=O)c1ccc(N[C@@H]2CCCN([C@H](C)c3ccccc3F)C2=O)c([N+](=O)[O-])c1 590141951 WTAPVJDDAXUSIW-FOIQADDNSA-N 442.491 4.036 5 20 IIBD C[C@@H]1CCCN(c2nnc(SCCOc3cccc([N+](=O)[O-])c3)n2Cc2ccco2)C1 603724398 QQLIOYDSDDMONU-MRXNPFEDSA-N 443.529 4.235 5 20 IIBD C[C@H](Cc1ccc(Br)cc1)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 603901966 YMQOAYNIDRZRTJ-CQSZACIVSA-N 432.318 4.319 5 20 IIBD COc1cc(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1OC1CCCC1 603902212 PUDMWUCYIRSJIM-UHFFFAOYSA-N 439.512 4.455 5 20 IIBD Cc1ccc(C(=O)C2CCN(S(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])CC2)c(C)c1 604277059 FIPMQJLBJUDYQJ-UHFFFAOYSA-N 430.526 4.112 5 20 IIBD O=C(Nc1ccccc1)[C@@H]1CCc2ccccc2N1C(=O)CCOc1ccccc1[N+](=O)[O-] 608873161 WJOCKXZWGXCTFL-QFIPXVFZSA-N 445.475 4.350 5 20 IIBD CC(C)OC(=O)c1ccc(Cl)c(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 608917066 UCYDXRPPOUFVPM-UHFFFAOYSA-N 446.891 4.168 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)cc1SC 609177911 XZLBLNYWMSBEAB-UHFFFAOYSA-N 449.382 4.252 5 20 IIBD CC[C@H]1CN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 609531614 YMNMNPZZUHIQLG-VGSWGCGISA-N 434.496 4.016 5 20 IIBD Cc1ccccc1CN1CCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 609730873 CPEPWOKBWKTARX-UHFFFAOYSA-N 431.920 4.060 5 20 IIBD CC(C)N(C)C(=O)C1CCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 609773271 UEKUUVSWLHXPSW-UHFFFAOYSA-N 440.500 4.498 5 20 IIBD COc1ccc(NC(=O)c2cccc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)c2)cn1 610043485 JGYBKXFSJGJNTK-UHFFFAOYSA-N 434.452 4.167 5 20 IIBD C[C@H](N[C@H](Cn1cccn1)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 610162531 IRGSTIXNLFOWKZ-IFXJQAMLSA-N 447.417 4.168 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)ccc1Cl 610320262 ZIFYCQNUMSHULC-UHFFFAOYSA-N 433.848 4.110 5 20 IIBD CCOc1cc(NC(=O)NCc2c(F)c(F)cc(F)c2F)c([N+](=O)[O-])cc1OCC 610628053 YJPUUIJQCHSMGY-UHFFFAOYSA-N 431.342 4.270 5 20 IIBD O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1N1CCOCC1 611446609 CLTUVUMXKMPIBT-UHFFFAOYSA-N 445.344 4.338 5 20 IIBD C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1cc(I)cc([N+](=O)[O-])c1 611549207 OOEHZNOQVUILRK-PSASIEDQSA-N 442.175 4.002 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2nn(C)c3ccccc23)cc1 612710875 BEPWFBZUPYVESS-UHFFFAOYSA-N 432.436 4.212 5 20 IIBD CC(=O)N[C@@H]1Cc2ccccc2N(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 619656543 IQXGIMLOIDOJMO-GOSISDBHSA-N 447.516 4.454 5 20 IIBD O=C(CSc1nc2cc(Cl)ccc2o1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 619780190 PARCEVITCXXOAE-UHFFFAOYSA-N 435.845 4.282 5 20 IIBD C[C@@H](OC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C(=O)N[C@H](C)c1cccc2ccccc12 725936763 JAQNYWPIVVPGKJ-CHWSQXEVSA-N 428.391 4.449 5 20 IIBD O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)NCCc1ccc([N+](=O)[O-])cc1 726236274 KAMMAQLFZSMCDA-UHFFFAOYSA-N 448.854 4.296 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1)c1sccc1S(=O)(=O)NC1CCCCCC1 726325519 ROESUHCGDQIEIH-UHFFFAOYSA-N 438.527 4.014 5 20 IIBD COc1ccc(-c2ccc(/C=C3\N=C(c4ccc(OC(C)=O)cc4)OC3=O)o2)c([N+](=O)[O-])c1 727290644 ARYGKQRNNWZAIN-ODLFYWEKSA-N 448.387 4.133 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 730230429 MCFGWNUONPQCTF-HNNXBMFYSA-N 443.525 4.485 5 20 IIBD O=C(Oc1ccc(NC(=O)C2CCCCC2)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 732001861 ZLOCOEYDCPBJOV-UHFFFAOYSA-N 426.425 4.104 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O[C@H]1CCN(c2ccccc2Cl)C1=O 732332819 RGPGBCWTSXJTOS-DIFFPNOSSA-N 439.251 4.018 5 20 IIBD O=C(OCCCc1c(F)cccc1Cl)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 732505108 PFDMBCCGXKLUFQ-OAHLLOKOSA-N 440.880 4.229 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)cc1OC 733244136 DQWAJCIZJXRYID-UHFFFAOYSA-N 444.831 4.490 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 736211865 NDHYQLIKCORMFX-JOCHJYFZSA-N 443.931 4.434 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])cc1[N+](=O)[O-])c1ccccn1 737580734 CUADWYHEVBWHSC-AWEZNQCLSA-N 433.424 4.274 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccn(-c2cccc(C(F)(F)F)c2)n1 738743633 RNVMLBLSXSESQV-UHFFFAOYSA-N 449.341 4.023 5 20 IIBD O=C(OCc1cc(=O)oc2cc3c(cc12)CCC3)c1ccc([N+](=O)[O-])cc1Br 740421701 HQTBCGDVVYUWFV-UHFFFAOYSA-N 444.237 4.309 5 20 IIBD Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2Br)c(C)c1 740421945 KIASGCQBSROWAJ-ZDUSSCGKSA-N 435.274 4.467 5 20 IIBD COc1ccc(-c2ncc(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)s2)cc1 745559441 XCWQMBWBFLYYLI-UHFFFAOYSA-N 447.856 4.176 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(SC(F)F)nc2)c(C(F)(F)F)c1 746601098 VNTUYLYVXHHEKD-UHFFFAOYSA-N 429.348 4.124 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc(-c3ccc(F)cc3)n2C)cccc1[N+](=O)[O-] 749326939 IAQWDZJVTCVULG-AWEZNQCLSA-N 425.416 4.232 5 20 IIBD C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1nc(C(C)(C)C)no1 749437988 YHFMJDSJWQTHIK-SSDOTTSWSA-N 431.674 4.182 5 20 IIBD COc1ccccc1[C@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])NC(=O)OC(C)(C)C 749915221 FCMDYUKYKQVLPR-INIZCTEOSA-N 449.891 4.253 5 20 IIBD O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCO[C@H](c2cccc(Br)c2)C1 749935285 UZBDFUQRXIEPAF-HNNXBMFYSA-N 425.666 4.224 5 20 IIBD CC(C)[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1nc(C2CC2)no1 750864606 ODJRWNWZDTXKGY-CYBMUJFWSA-N 443.685 4.398 5 20 IIBD O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)c1ccc(Br)cc1[N+](=O)[O-] 751068328 NYXOKIYKZDBRIV-CQSZACIVSA-N 434.073 4.128 5 20 IIBD CCCc1c(NC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)cnn1-c1cccc(F)c1 753255634 NIPQTKADNKDYQM-UHFFFAOYSA-N 426.433 4.129 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])ccc1Br)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 754704201 MKOBWSPBDRIZBT-RDTXWAMCSA-N 437.265 4.489 5 20 IIBD COCCCOc1cc(C)ccc1CNC(=O)c1ccc(Br)c([N+](=O)[O-])c1 755455276 VILSEVKSBHOAJF-UHFFFAOYSA-N 437.290 4.011 5 20 IIBD CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cccc([N+](=O)[O-])c1Br 758334385 IJSCYUZUXMLMTE-LBPRGKRZSA-N 444.326 4.027 5 20 IIBD CC(C)Oc1ccc(N(C)C(=O)c2cc([N+](=O)[O-])ccc2I)cc1 759927997 LTXFXOWXUNONBD-UHFFFAOYSA-N 440.237 4.263 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 760872138 ACKSFQNYLHDGSE-OAHLLOKOSA-N 443.656 4.364 5 20 IIBD C[C@H](C(=O)O[C@H](C)C(=O)Nc1nc(-c2ccccc2)cs1)c1cccc([N+](=O)[O-])c1 763409921 VGCMUIRRTAVAPZ-UONOGXRCSA-N 425.466 4.392 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12 763812623 WUHGRJUIZRPJNY-AWEZNQCLSA-N 441.509 4.092 5 20 IIBD CCCc1c(NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cnn1-c1ccccc1C 764688252 ZSIPYVZGZQRDKT-UHFFFAOYSA-N 441.875 4.272 5 20 IIBD O=C(COC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)COc1ccc(Cl)cc1 767319331 XYHKTGFJLXHDAV-UHFFFAOYSA-N 432.841 4.177 5 20 IIBD Cc1ccc(-c2cnc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)s2)c(C)c1 769521492 OENNKLIQYGCHFJ-UHFFFAOYSA-N 438.509 4.424 5 20 IIBD Cc1c(OC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cccc1[N+](=O)[O-] 769676186 DUWHOLSFWNBIOZ-UHFFFAOYSA-N 447.476 4.244 5 20 IIBD CCCC(=O)Nc1ccc(C(=O)COC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 770157987 VQMPLJVIYAYPLM-UHFFFAOYSA-N 449.257 4.136 5 20 IIBD COc1cc(OCC(=O)O[C@H](C(F)(F)F)C(C)(C)c2ccccc2)ccc1[N+](=O)[O-] 771365524 BSURHKCFQMVPBQ-SFHVURJKSA-N 427.375 4.434 5 20 IIBD COc1cccc(-c2nc(C)c(C(=O)OCc3cnc(-c4ccc([N+](=O)[O-])cc4)o3)[nH]2)c1 772666385 MQWJLQBYGHLTJI-UHFFFAOYSA-N 434.408 4.314 5 20 IIBD C[C@H](NC(=O)c1ccccc1NC(=O)CSc1ccc([N+](=O)[O-])cn1)c1ccccc1 772849857 WNQOPFUJGPBRQI-HNNXBMFYSA-N 436.493 4.212 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1 773424798 JZLPZVLFAJNWHH-TZMCWYRMSA-N 443.294 4.094 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cc1[N+](=O)[O-] 775496832 WPBLDYXSAOLVCI-UHFFFAOYSA-N 443.397 4.120 5 20 IIBD Cc1ccc(-n2c(SC[C@@H](O)c3ccc([N+](=O)[O-])cc3)nnc2-c2ccccn2)cc1 776275339 DJQPUAORJKRTHQ-HXUWFJFHSA-N 433.493 4.372 5 20 IIBD O=C(c1cc([N+](=O)[O-])c2nsnc2c1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 778255825 ZYZJXIMDTMEOBQ-OAHLLOKOSA-N 436.453 4.017 5 20 IIBD O=C(N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 781199547 ADIZYMLCOSGTHV-CYBMUJFWSA-N 435.261 4.138 5 20 IIBD CC(C)[C@H](NC(=O)COC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccccc1 781267393 GWOPEPOIGHZJFT-DEOSSOPVSA-N 428.488 4.352 5 20 IIBD O=C(CCCCNC(=O)c1cc([N+](=O)[O-])ccc1Br)OCc1ccccc1 781739781 BIJORAFFMYPXLE-UHFFFAOYSA-N 435.274 4.001 5 20 IIBD Cc1ccccc1CN(Cc1ccccn1)C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781965056 GVJGKHZLWHLFCW-HSZRJFAPSA-N 430.464 4.020 5 20 IIBD O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccc(C(F)(F)F)c(F)c1 784500968 OCBABRUHUGDHCZ-UHFFFAOYSA-N 427.354 4.221 5 20 IIBD C[C@@H](OC(=O)Cc1cc(-c2ccccc2)on1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 785974295 FXKMDVLESWOVJM-GFCCVEGCSA-N 429.816 4.016 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 789446867 VJKAKZBIIAVPDG-ULQDDVLXSA-N 432.521 4.369 5 20 IIBD COc1ccc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])cc1N1CCCCC1=O 790541146 ZMPOWHRZHGCOGY-UHFFFAOYSA-N 435.839 4.094 5 20 IIBD COc1ccccc1-c1nc(C2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC2)no1 791050451 HYGABKXDJADDBL-UHFFFAOYSA-N 442.859 4.327 5 20 IIBD COCC[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1ccc(Cl)c(Cl)c1 791243158 CGXHXZCUGXGXOQ-INIZCTEOSA-N 431.247 4.314 5 20 IIBD CCNc1ccc(Cl)cc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 791530225 IAPVUUKCLDJUMR-UHFFFAOYSA-N 445.781 4.494 5 20 IIBD CCOc1cc(N2CCC(OC(=O)Cc3cc(F)c(F)cc3F)CC2)ccc1[N+](=O)[O-] 793162480 YXYCIVZEPDEMJI-UHFFFAOYSA-N 438.402 4.166 5 20 IIBD CCOC(=O)Oc1ccc(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 800286768 IORZSYQKPXCZCF-GFCCVEGCSA-N 427.369 4.098 5 20 IIBD C[C@@H](NC(=O)N(C)CCc1ccccc1[N+](=O)[O-])c1nc(-c2ccc(Cl)cc2)no1 805162638 GWBAQAPQXXNEER-CYBMUJFWSA-N 429.864 4.243 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@@H](c1ccccc1)[C@H](O)c1ccccc1 808342385 VMENKGRNYFWSPE-VQTJNVASSA-N 432.885 4.001 5 20 IIBD COc1cncc(COC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c1 808497442 OTCOLPLUHXLHJK-UHFFFAOYSA-N 444.447 4.137 5 20 IIBD COC(=O)c1cc(Br)c(OC)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 809251474 WZRUOJDYQXUYHJ-UHFFFAOYSA-N 443.637 4.058 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)OC[C@H]1CCN(c2ccccc2F)C1 810916948 CUEVMBIBOGLOSG-SFHVURJKSA-N 430.479 4.364 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](C2CCN(c3ncnc4ccc([N+](=O)[O-])cc34)CC2)C1 811861331 BWVUDVJZBICVDE-INIZCTEOSA-N 427.505 4.011 5 20 IIBD COc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1N1CCOC1=O 813031943 JQFCAUHSZWKYFM-UHFFFAOYSA-N 426.212 4.119 5 20 IIBD CSc1ccc([C@@H](CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])N(C)C)cc1 814959587 IEXPLVPKWPKBET-QGZVFWFLSA-N 445.513 4.028 5 20 IIBD O=C(O[C@H](c1nc2ccccc2o1)C(F)(F)F)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 816062471 PSBVOENQISFNSA-MRXNPFEDSA-N 432.314 4.382 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC12CCC2 816846949 NTEQIRVCKBTOQE-OAHLLOKOSA-N 449.523 4.450 5 20 IIBD C[C@H](NC(=O)[C@@H](C)Sc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc2c(c1)OCCO2 827005657 IDOFMVOUOZUURX-NWDGAFQWSA-N 445.522 4.334 5 20 IIBD Cc1cccc(CCCOCCOC(=O)Cn2c3ccccc3c(=O)c3ccccc32)n1 835008220 CWLGMWNYRXXDPB-UHFFFAOYSA-N 430.504 4.051 5 20 IIBD C[C@@H](OC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc2ncccc12 856620413 MYARDPPHQFIGDB-ZIAGYGMSSA-N 425.466 4.194 5 20 IIBD Cc1cccc(-n2ncc(C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c2C)c1 900165282 BEMXJATVWKQKCY-AWEZNQCLSA-N 442.859 4.235 5 20 IIBD O=C(COC(c1ccccc1)c1ccccc1)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 914797920 UXWALITZFLOGKP-UHFFFAOYSA-N 445.431 4.494 5 20 IIBD Cc1cc(C(=O)COC(=O)COc2cccc([N+](=O)[O-])c2)c(C)n1Cc1ccc(F)cc1 914909564 VJDMPXMXCFDUAL-UHFFFAOYSA-N 440.427 4.005 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 916372373 YWABNJJODGNNQA-FQEVSTJZSA-N 437.839 4.443 5 20 IIBD COc1ccc([C@@H]2CCCCCN2C(=O)COC(=O)c2cccc([N+](=O)[O-])c2C)cc1 918877019 JNXWKXGWFWXWQD-NRFANRHFSA-N 426.469 4.213 5 20 IIBD C[C@@H](OC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C(=O)Nc1ccccc1Oc1ccccc1 919508176 WBHQSQOCADKRCN-CYBMUJFWSA-N 439.399 4.292 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)c1nnc(-c2ccc(F)cc2Br)o1 1117225569 VRNVKPOORRINKX-LBPRGKRZSA-N 439.245 4.152 5 20 IIBD O=C(NCc1ccc(Cn2cnc3ccccc32)cc1)N1Cc2ccc([N+](=O)[O-])cc2C1 1318777342 MSIJZFNXQOIHRN-UHFFFAOYSA-N 427.464 4.218 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1n[nH]c(-c2cccc(Cl)c2)n1 1326139617 JADPAXRNPPQPOI-UHFFFAOYSA-N 429.867 4.232 5 20 IIBD COC(=O)C[C@](C)(NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1ccncc1 1326217985 CWKBTLWHEPMODE-NRFANRHFSA-N 429.860 4.471 5 20 IIBD C[C@H](C(=O)N1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccc([N+](=O)[O-])cc1F 1338554100 AEYSLWNZHZGJMS-INIZCTEOSA-N 449.523 4.477 5 20 IIBD O=C(Cc1ccccc1F)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1 1785747748 IQHRUVDTUMETMY-UHFFFAOYSA-N 437.427 4.317 5 20 IIBD Cc1c[nH]cc1C(=O)Nc1ccc(C2(NC(=O)Cc3cccc([N+](=O)[O-])c3)CCC2)cc1 1788727144 KCEPCTRBKNGHGG-UHFFFAOYSA-N 432.480 4.222 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)[C@@]4(C)CC4(F)F)cc3)CCC2)ncc1[N+](=O)[O-] 1792246433 LSNVVJQAQNTPEP-HXUWFJFHSA-N 444.438 4.091 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])[nH]n1)C1CCC1 1816666072 CYEJGQOMULUAJI-QGZVFWFLSA-N 445.907 4.006 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@]2(C)C[C@@H]2C)n[nH]1 1820772035 PYYPWRRKALTJGC-DGIMUSOZSA-N 443.479 4.117 5 20 IIBD CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CSc2ccccc2[N+](=O)[O-])n[nH]1 1822312275 IAZVAQNNTMGNNM-OAHLLOKOSA-N 445.545 4.148 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(F)CCC2)CC1 1830728514 DRRDCMBNALOEED-LJQANCHMSA-N 449.498 4.168 5 20 IIBD O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 15326791 LNZJLHNCZQKOAY-UHFFFAOYSA-N 444.919 4.327 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CCCc1ccc(Br)s1 16257142 FIHPYMALCLOXTM-UHFFFAOYSA-N 441.303 4.232 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1sc(-c2cccs2)nc1C 17830781 CHNIXVJMVJBQRA-LLVKDONJSA-N 447.494 4.281 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCC(=O)c1ccc(F)c(F)c1 18968638 KDOWRPJQRHAPDG-UHFFFAOYSA-N 432.301 4.120 5 20 IIBD COc1ccc2[nH]cc(CCNC(=O)Cn3c4ccccc4c(=O)c4ccccc43)c2c1 21172459 PWVIWSZRSNZMEA-UHFFFAOYSA-N 425.488 4.004 5 20 IIBD biogenic Cc1nn(Cc2ccc(C(=O)N3CCC([C@H](O)c4ccccc4)CC3)cc2)c(C)c1[N+](=O)[O-] 23384846 IZULWYOBXHVTNB-XMMPIXPASA-N 448.523 4.042 5 20 IIBD O=C(CN1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1)Nc1ccccc1 23618560 AFOFBGCRPFLBIH-UHFFFAOYSA-N 442.825 4.028 5 20 IIBD CC[C@H](C)c1ccc([C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c2cccs2)cc1 59407818 YIQZNLGTFJEOIF-OYHNWAKOSA-N 425.510 4.237 5 20 IIBD O=C(NCCc1ccc(F)c(Br)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 59802173 GFSBJZRWNBISAM-UHFFFAOYSA-N 436.281 4.069 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CC(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 60302835 LQMMGWHSIJGGHH-UHFFFAOYSA-N 434.283 4.031 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](CCCc1ccccc1)c1ccccc1 61982931 MYBMXUMNODFSCZ-NRFANRHFSA-N 447.491 4.422 5 20 IIBD CN(C)CCN(CCCc1ccccc1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 63485861 YIHOLOHQYNBFDD-UHFFFAOYSA-N 441.575 4.178 5 20 IIBD CCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)cc1 63596436 ZIGRSKLSLQQUMY-UHFFFAOYSA-N 431.495 4.073 5 20 IIBD CCN(CCC(F)(F)F)C(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 116288805 SYMMVUBQVRLKKW-UHFFFAOYSA-N 437.418 4.306 5 20 IIBD O=C(CCNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)NCc1cccnc1 237929528 XHVXLCRIKCCUKZ-UHFFFAOYSA-N 440.887 4.232 5 20 IIBD Cc1cnc(Sc2nnc(N3C[C@@H](C)C[C@H](C)C3)n2Cc2ccco2)c([N+](=O)[O-])c1 301465225 WWLDZYJOSYAPEQ-GJZGRUSLSA-N 428.518 4.165 5 20 IIBD O=[N+]([O-])c1ccc(Sc2nnnn2-c2ccc(Br)cc2)c2ccncc12 302193223 WHDNTKVNEQSMCO-UHFFFAOYSA-N 429.259 4.032 5 20 IIBD Cc1cc(CN2CCSCC2)ccc1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 303085769 GNEXWOUSTWXJPS-UHFFFAOYSA-N 428.558 4.283 5 20 IIBD C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Cl)cc1Cl 303464735 MJHSRWOABZGTPS-YGRLFVJLSA-N 442.324 4.445 5 20 IIBD C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 303476720 OXZTUBCODHIJCG-NSHDSACASA-N 435.358 4.065 5 20 IIBD CCOc1cc(C(=O)NCc2ccc(CN3CCCCCC3)cc2)c([N+](=O)[O-])cc1OC 409975908 IOFMPYKQEJZNDU-UHFFFAOYSA-N 441.528 4.308 5 20 IIBD C[C@H](CC(=O)O)NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 427713865 JHMNOYHFHGOSGE-WDGDVPDHSA-N 425.466 4.115 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCC(F)(F)[C@@H](CO)C1 428344782 KJOUTJHPUDGWDU-CYBMUJFWSA-N 426.803 4.130 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CN(Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccco1 430231145 BNDOQIQGPLOELR-UHFFFAOYSA-N 435.480 4.291 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1cccc2ccccc12)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 431153963 SOTUOXDBZNNMGB-IPMKNSEASA-N 435.505 4.086 5 20 IIBD Cc1ccc(NC(=O)COc2c(Br)cccc2[N+](=O)[O-])c(Br)c1 431243394 SZSCNNCWKBUHKY-UHFFFAOYSA-N 444.079 4.446 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)[C@H](C)[C@H]1OCCc2sccc21)c1ccccc1[N+](=O)[O-] 431687730 QWEDGULMOARCED-DAESXHAQSA-N 446.525 4.105 5 20 IIBD O=[N+]([O-])c1cc(/C=C\c2nc(O)c3cnn(-c4cccc(Br)c4)c3n2)cs1 434938171 NKQAXRWSSGMGES-PLNGDYQASA-N 444.270 4.424 5 20 IIBD O=C(NCC1CCN(Cc2ccccc2)CC1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 436313706 XJGPBVQLZYUHTC-UHFFFAOYSA-N 443.522 4.462 5 20 IIBD COc1cc(C(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cc([N+](=O)[O-])c1OC 436459740 VTTYBLWBWPDWLE-OAHLLOKOSA-N 436.745 4.438 5 20 IIBD CCOc1cc(NC(=O)Nc2ccc(C(C)(C)C(=O)OC)cc2)c([N+](=O)[O-])cc1OCC 437599570 IFDLPBDARBWOHZ-UHFFFAOYSA-N 445.472 4.487 5 20 IIBD COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] 438949555 FXHQGLSBNWAAEW-UHFFFAOYSA-N 433.892 4.433 5 20 IIBD Cc1ccc(-c2ccc(CN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)C(C)C)s2)cc1 439108610 CSFFJCIGXCGBEW-UHFFFAOYSA-N 425.510 4.231 5 20 IIBD C[C@H]1CN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC2(CCOCC2)O1 442795767 CKJHQLGSBUAVMT-INIZCTEOSA-N 428.510 4.156 5 20 IIBD COc1cccc(C[C@]2(C(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)C[C@H]3CC[C@H]2C3)c1 444628392 DBORHIFJTFLWIW-UAVUOLJFSA-N 434.496 4.145 5 20 IIBD CCOc1cc(Cc2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)ccc1OCC(F)(F)F 445211310 KNUXFTRKCBCSNW-UHFFFAOYSA-N 439.346 4.281 5 20 IIBD CCCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H](C)C(=O)Nc1ccccc1 446135344 CDLKOAQZBINFKB-CQSZACIVSA-N 448.317 4.166 5 20 IIBD O=C(c1cccc2ccccc12)N1CCC[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 446422514 KANOTNSPRBOXQI-HXUWFJFHSA-N 443.503 4.185 5 20 IIBD COc1ccc(-n2ccc(CNc3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])n2)cc1 447671703 RAWSZFBRWDSQCA-UHFFFAOYSA-N 443.332 4.450 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCC(Oc2ncccc2F)CC1 447687914 KDSPIJITMNLWAB-UHFFFAOYSA-N 436.312 4.226 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC4(CCC4)[C@@H]3[C@H]3CCCO3)cc2[N+](=O)[O-])C1 461320336 SFZBLEVFQAWFSN-XQTRSNPVSA-N 427.545 4.251 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1ccc(OC2CCC2)cc1)c1ccccc1[N+](=O)[O-] 463443029 MRGZBYNPLJRKKD-HXUWFJFHSA-N 426.469 4.339 5 20 IIBD O=C(NCCOc1ccc(Br)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 463522124 HSUPPFTWGNJQRE-UHFFFAOYSA-N 433.180 4.185 5 20 IIBD Cc1cc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(C)n1Cc1ccccn1 464625595 CRHZXHFYNQMEAI-UHFFFAOYSA-N 434.496 4.140 5 20 IIBD C[C@H](NC(=O)N1C[C@H](CC(=O)N(C)C)c2cc(Cl)ccc21)c1cccc([N+](=O)[O-])c1 465644786 BLOVWMYDMOKFSY-ZFWWWQNUSA-N 430.892 4.101 5 20 IIBD CN(Cc1cc(Br)cn1C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 468200134 FYXYRSPMIYUZOA-UHFFFAOYSA-N 435.303 4.092 5 20 IIBD CC[C@@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccccc1OCC(=O)N1CCCC1 470151346 HPCGMYOAPZABDT-LJQANCHMSA-N 444.463 4.008 5 20 IIBD O=C(Nc1nc(SCc2ccccc2)ns1)N1CCc2ccc([N+](=O)[O-])cc2C1 476499667 NHLMCBRDIZVRRI-UHFFFAOYSA-N 427.511 4.329 5 20 IIBD COc1ccc(CN2CCO[C@@H](c3ccc(F)c(Br)c3)C2)cc1[N+](=O)[O-] 481603575 IWJMASMTBXGBAJ-GOSISDBHSA-N 425.254 4.079 5 20 IIBD C[C@@H](CCNC(=O)c1sc(Br)cc1[N+](=O)[O-])N(C)Cc1ccccc1 486202764 HUCYCJTUZRZJPZ-LBPRGKRZSA-N 426.336 4.059 5 20 IIBD CCOc1ccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1Cl 486445093 IQCIRGZKSMDQRR-UHFFFAOYSA-N 433.877 4.179 5 20 IIBD COc1ccc(C(C)(C)CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 487033403 RQUGKBGZCPSXDF-UHFFFAOYSA-N 435.908 4.085 5 20 IIBD CCn1c(SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)nnc1-c1ccc(F)cc1 489677669 JMUVQUPVPFVQJS-UHFFFAOYSA-N 443.460 4.103 5 20 IIBD Cc1cc(I)cc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 490616469 QVTJZBQIYNVOPV-UHFFFAOYSA-N 437.237 4.098 5 20 IIBD COc1ccc(I)c(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])c1 497309120 DCWRFQQRHBJPFR-UHFFFAOYSA-N 444.250 4.182 5 20 IIBD CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1nc(C(F)(F)F)cs1 497742426 RRJMSBPVVRPZCV-NSHDSACASA-N 435.449 4.036 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 499057863 QOBSUALQXIZVJB-UHFFFAOYSA-N 439.431 4.092 5 20 IIBD C[C@H](c1ccccc1Cl)N(C)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 499216316 SKZBPDUAOPYWRO-GFCCVEGCSA-N 431.905 4.361 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 499880221 IGIIIMZBUWKSLF-AZUAARDMSA-N 432.908 4.058 5 20 IIBD CN(C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1cccc(S(C)(=O)=O)c1 500363734 UVLQDPJLHJRTAW-UHFFFAOYSA-N 425.466 4.019 5 20 IIBD O=[N+]([O-])c1cc(CN2CCC[C@@H](CN3CCOCC3)C2)ccc1Oc1ccc(F)cc1 503084352 LKMJFFSTGRDVGQ-IBGZPJMESA-N 429.492 4.070 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(N2C(=O)CCNC2=O)c1C 504236794 QFBLZIJAHIVOKQ-UHFFFAOYSA-N 442.497 4.104 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1nccc2ccccc12 505418793 CPEDUPOJBBNFHA-UHFFFAOYSA-N 433.390 4.073 5 20 IIBD CN(C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1ccc([N+](=O)[O-])cc1 506614851 MLCNTYHRQWJWDH-CQSZACIVSA-N 436.295 4.417 5 20 IIBD Cc1cc(CN2CCN(Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)CC2)no1 506707361 OWNPTXWAXNJGFT-UHFFFAOYSA-N 426.448 4.140 5 20 IIBD CC1(c2nc3ccccc3s2)CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 511110936 WIXFGZIJECMZJF-UHFFFAOYSA-N 445.566 4.032 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 513566869 IGICCKAXSHBYSI-QGZVFWFLSA-N 444.431 4.144 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2c2nc([C@@H]3CCOc4ccccc43)no2)ccc1[N+](=O)[O-] 515092109 YECSHAQGCKEVHA-MJGOQNOKSA-N 434.452 4.178 5 20 IIBD C[C@H](NC(=O)c1ccccc1OCC(=O)Nc1ccccc1F)c1cccc([N+](=O)[O-])c1 515682406 MPJIHNHMDUNAPO-HNNXBMFYSA-N 437.427 4.242 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c1 516321150 SUKYFUGHCYYHFR-HXUWFJFHSA-N 434.427 4.264 5 20 IIBD O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 516765195 PSWJNIZXPLCCBI-NRFANRHFSA-N 435.484 4.178 5 20 IIBD O=[N+]([O-])c1ccc(OCCSc2nnc(CN3CCCC3)n2Cc2ccccc2)cc1 521368248 UWFQPPOPLPMGTM-UHFFFAOYSA-N 439.541 4.002 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 522244433 XNQPZNMQLZGONW-UHFFFAOYSA-N 446.488 4.050 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCc2cccc(Cl)c2Cl)ccc1[N+](=O)[O-] 523944812 XCNFHMNKOWWXNG-QGZVFWFLSA-N 436.295 4.131 5 20 IIBD CCN(CC)C(=O)Nc1ccc([C@@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1 532398518 DUOLRBOSABOGRC-MRXNPFEDSA-N 448.545 4.125 5 20 IIBD COc1cc(Oc2ccccc2)ccc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 533332525 MZYBFITWFJIVFI-UHFFFAOYSA-N 449.467 4.145 5 20 IIBD Cc1ccc(-n2ccnc2S(=O)(=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c(C)c1 534060399 FDAGURQGDMIFCR-UHFFFAOYSA-N 438.465 4.026 5 20 IIBD O=C(Nc1ccc2nc(C3CC3)oc2c1)c1cc(I)cc([N+](=O)[O-])c1 535741431 YDRJECMYFNPPAD-UHFFFAOYSA-N 449.204 4.470 5 20 IIBD CNC(=O)c1ccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 535880571 TVFKEJLSWDUOIU-UHFFFAOYSA-N 447.822 4.357 5 20 IIBD C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC1CCN(c2nc3ccccc3s2)CC1 536851196 IKBZPVNPJVJBCJ-HNNXBMFYSA-N 439.541 4.180 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCO[C@@H](Cc2ccccc2)C1 537382041 AYHSGTGLKYAXRE-QFIPXVFZSA-N 431.492 4.291 5 20 IIBD Cn1cc(CN2CCN(Cc3ccc(Oc4ccccc4Cl)c([N+](=O)[O-])c3)CC2)cn1 538739792 GGOPPXVBHGSVRX-UHFFFAOYSA-N 441.919 4.092 5 20 IIBD Cc1ccc(-c2noc(CCC(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1F 539794797 PVPOJQXPQVWUQH-UHFFFAOYSA-N 432.839 4.037 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(CNC(=O)C2CCCC2)cc1 540893269 JXIGZSIWNZMNFD-UHFFFAOYSA-N 429.904 4.027 5 20 IIBD C[C@@H](C(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1)c1ccc([N+](=O)[O-])cc1F 541621439 COPQEVQOSOQUFK-CQSZACIVSA-N 434.427 4.074 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Cc1c(C)nn(-c2ccc(C)c(Cl)c2)c1C 542258865 CPFVTBSRZZWPIG-UHFFFAOYSA-N 442.903 4.227 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)C(=O)N1CCCC[C@@H]1C 542656588 BYMRFTSVPXZVLH-HOTGVXAUSA-N 433.574 4.396 5 20 IIBD COc1ccc(NC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)cc1[N+](=O)[O-] 542930267 LYIVSDQNMUMSEX-UHFFFAOYSA-N 447.373 4.333 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1nnc(SCc2ccccc2)s1 543286383 PJSVOSDMPMPCRT-UHFFFAOYSA-N 431.499 4.069 5 20 IIBD O=C1C[C@@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CN1Cc1cccc(C(F)(F)F)c1 544933298 OYIQRDPAPAKBOU-CQSZACIVSA-N 432.358 4.180 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1 545516227 WLUYSESBPKSMLE-UHFFFAOYSA-N 440.481 4.060 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Br)c(OCC)c(OC)c1 546664505 APQNXNYAUFUFIP-UHFFFAOYSA-N 439.262 4.416 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2ncco2)c1C 552708350 DRAZGLOFINFMGS-UHFFFAOYSA-N 441.465 4.466 5 20 IIBD Cc1cc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc(Cl)c1Br 555888565 VQKUWZHVUKCNSE-LBPRGKRZSA-N 439.697 4.041 5 20 IIBD O=C1CC[C@@H](NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])[C@H](C2CC2)N1 556467018 GEPDIZLWBSIAHM-APWZRJJASA-N 445.928 4.186 5 20 IIBD Cc1csc(Sc2ccc(-c3nc([C@@H]4CC(=O)N(C(C)C)C4)no3)cc2[N+](=O)[O-])n1 560047845 GECBHUXCEMDTCU-CYBMUJFWSA-N 445.526 4.285 5 20 IIBD COc1cc(CN(C)Cc2ccccc2N(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F 569052219 HITDJVZLESJRPD-UHFFFAOYSA-N 427.423 4.243 5 20 IIBD O=C(NCc1ccc(OCCSc2ccc(Cl)cc2)cc1)c1c[nH]nc1[N+](=O)[O-] 569126184 ZXDWXAHVRQKEIM-UHFFFAOYSA-N 432.889 4.072 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(Cc1cn(-c3ccccc3)nc1-c1cccnc1)CCO2 570983183 IEYIRNBMIPUALT-UHFFFAOYSA-N 427.464 4.237 5 20 IIBD COc1cc(CN[C@H](C)c2nccn2-c2ccccc2)c([N+](=O)[O-])cc1OCC(F)F 573607282 MGAWSPHNJQIGGW-CQSZACIVSA-N 432.427 4.284 5 20 IIBD O=c1c(Cl)c(N2CCCn3c(cc4ccccc43)C2)cnn1-c1ccc([N+](=O)[O-])cc1 580117107 BVSWSUQKVXBTIS-UHFFFAOYSA-N 435.871 4.159 5 20 IIBD C[C@H](CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCO1)c1nccs1 582893848 YBRVATMACOIQHQ-QAPCUYQASA-N 442.545 4.119 5 20 IIBD O=C(Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1)c1n[nH]c2ccc([N+](=O)[O-])cc12 582924175 JFLUVFBVNZBQIB-UHFFFAOYSA-N 445.208 4.015 5 20 IIBD Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)cc21 587165075 GKCVVKQDIIANDU-IUCAKERBSA-N 440.344 4.107 5 20 IIBD COc1cc(CCNC(=O)Nc2ccc(Cl)c3ncccc23)c([N+](=O)[O-])cc1OC 603659465 LKLWLVAAZMTYKH-UHFFFAOYSA-N 430.848 4.178 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccc(Br)c(F)c1 604497835 KKDWPXDNHJRXKE-VIFPVBQESA-N 431.645 4.234 5 20 IIBD COc1ccc(Cl)cc1CN(C)c1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl 608830403 UEECVPXNOFYITB-UHFFFAOYSA-N 435.267 4.093 5 20 IIBD COc1cc(CN2CCO[C@H](c3ccc(F)c(F)c3)C2)c([N+](=O)[O-])cc1OC(F)F 608975999 JVEOEVSXRJXGSR-SFHVURJKSA-N 430.354 4.057 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(Cc1ccc2c(c1)OCO2)c1ccc(F)cc1 609277118 KHXSRECWGZYCNP-UHFFFAOYSA-N 444.440 4.167 5 20 IIBD C[C@@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1nc(C(C)(C)C)cs1 609304489 RQHXBNFZGFIGEC-LLVKDONJSA-N 446.558 4.120 5 20 IIBD CCCN(CCC)C(=O)c1cccc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)c1 609453490 ZRABVMWJOYSVTJ-UHFFFAOYSA-N 435.484 4.295 5 20 IIBD Cc1cccc(COc2c(C)cc(CN(C)C(=O)Cn3cc([N+](=O)[O-])nc3C)cc2C)c1 609647039 QXODCDXTOBQPBT-UHFFFAOYSA-N 436.512 4.263 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)c1C 609658000 CRWMNNWRGMUDDE-LJAQVGFWSA-N 444.534 4.320 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(OCCc3ccccc3)nc2)c([N+](=O)[O-])cc1OC 609908136 CEXFHAZOYKBDAO-UHFFFAOYSA-N 437.452 4.271 5 20 IIBD CC(C)(C(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1)c1ccc([N+](=O)[O-])cc1 610065492 ZDWMGGSFLKBUPF-UHFFFAOYSA-N 434.414 4.411 5 20 IIBD O=C(CCSc1ccc2c(c1)OCCCO2)NCCCCc1ccc([N+](=O)[O-])cc1 610158390 ZGXGQMCIEIVNEV-UHFFFAOYSA-N 430.526 4.377 5 20 IIBD Cn1c(SCCn2ccc([N+](=O)[O-])n2)nc2scc(-c3ccccc3Cl)c2c1=O 610499725 CIYVGUHIXUSSCH-UHFFFAOYSA-N 447.929 4.212 5 20 IIBD COC(=O)C[C@H](C)NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 610917734 RDVNPKITSGWXGB-NSHDSACASA-N 431.495 4.037 5 20 IIBD Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 611052031 NTYZHWJXCOJCGI-QFIPXVFZSA-N 438.915 4.134 5 20 IIBD CC[C@@H](C)n1ncc2c(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc(C)nc21 725956901 QDEFJBMWQLKGOX-GFCCVEGCSA-N 445.863 4.068 5 20 IIBD C[C@@H](NC(=S)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Cl)cc1Cl 726434014 DBMLPMMVQMVNPN-MRVPVSSYSA-N 430.273 4.362 5 20 IIBD COc1cc(COC(=O)c2c(Cl)cccc2[N+](=O)[O-])c([N+](=O)[O-])cc1OC(F)F 730644074 IIRYFXJDPYFNJX-UHFFFAOYSA-N 432.719 4.123 5 20 IIBD CSCc1c(C(=O)O[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)oc2ccccc12 731503005 WAXGZXWAGNQEFO-GOSISDBHSA-N 426.450 4.166 5 20 IIBD CN(Cc1cn[nH]c1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 733980334 DGTQWMSULAQLMU-UHFFFAOYSA-N 433.512 4.049 5 20 IIBD Cc1ncc2c(n1)CCC[C@H]2NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 734799378 PNSGKJFYLFMLIG-VBKZILBWSA-N 432.484 4.069 5 20 IIBD CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-] 734891413 SIKMLTJDJMEOCG-QGZVFWFLSA-N 434.876 4.427 5 20 IIBD C[C@H](OC(=O)CNc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 735934259 SAMFKKLKPANBMF-JTQLQIEISA-N 445.781 4.249 5 20 IIBD C[C@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)N(Cc1ccccc1)Cc1ccccc1 745331674 FPXXKFGCMCLPFZ-IBGZPJMESA-N 432.476 4.298 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 746262622 IZYSCAOGYKIAFK-KDOFPFPSSA-N 437.265 4.225 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 746322401 PENDFZIXCOKZSE-VXKWHMMOSA-N 429.492 4.354 5 20 IIBD CN(C)C(=O)Sc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 746591947 RLOOSJKDNRZTCX-UHFFFAOYSA-N 449.432 4.188 5 20 IIBD CCCN(Cc1c(F)cccc1Cl)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 747000898 HEORQOOQNJRKRZ-UHFFFAOYSA-N 428.247 4.418 5 20 IIBD O=[N+]([O-])c1c(NC[C@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)nc2sccn12 748794089 REDKHYHNICMIDV-ZDUSSCGKSA-N 440.325 4.185 5 20 IIBD O=C(COC(=O)c1cc(-c2cccc(Cl)c2)no1)Nc1cc(Cl)ccc1[N+](=O)[O-] 748923100 COXMUYBOSOCMSQ-UHFFFAOYSA-N 436.207 4.352 5 20 IIBD Cc1c(C(=O)O[C@H](C)C(=O)Nc2cccc3ccccc23)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748945793 AHNDYIAQIJMKOY-CQSZACIVSA-N 437.408 4.457 5 20 IIBD Cc1c(C(=O)O[C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748946900 JXYKYWBNCDZRFK-DZGCQCFKSA-N 447.469 4.090 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCCC[C@@H]1C[C@H](O)c1cccs1 750839325 UEOOMGDTKOHGJZ-APWZRJJASA-N 447.557 4.362 5 20 IIBD Cc1c(C(=O)NCC(C)(C)c2cccc(Br)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 751258456 GTDUWWUZQDUEOF-UHFFFAOYSA-N 436.262 4.282 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N(C)CCCc2cc(-c3ccccc3)no2)cc1[N+](=O)[O-] 752246121 DANMYXBTLZTABB-UHFFFAOYSA-N 449.916 4.465 5 20 IIBD CC(C)n1cnnc1-c1ccccc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 753268286 LLVAJBXTIFSXAT-UHFFFAOYSA-N 430.262 4.449 5 20 IIBD C[C@@H](c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2Br)cc1)N1CCOCC1 753821153 VAPCFEYRIDOYAA-ZDUSSCGKSA-N 434.290 4.003 5 20 IIBD C[C@@H](OC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccccc1Br 755063657 NECZRQRUIWKCCL-GHMZBOCLSA-N 439.237 4.170 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1cc(F)c(N2CCCC2)c(F)c1 755204224 KFOZCTIVYQJCON-UHFFFAOYSA-N 440.244 4.417 5 20 IIBD CCNC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)nc2ccccc12 757979882 JNFHKARLQLMQOL-UHFFFAOYSA-N 447.495 4.135 5 20 IIBD O=c1c2cc(-c3ccccc3)sc2ncn1Cc1nc(Cc2ccccc2[N+](=O)[O-])no1 761345803 YGESTCSSVUXDNW-UHFFFAOYSA-N 445.460 4.055 5 20 IIBD O=C(Nc1ccccc1)c1cccc(COC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1 763868607 BHHGDAGLRFHDQY-UHFFFAOYSA-N 442.431 4.390 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCc2c(Br)ccc(Cl)c2C1 766733494 JBUNNDHVMNNRED-UHFFFAOYSA-N 440.637 4.117 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccccc2NC(=O)c2ccccc2)cc([N+](=O)[O-])c1F 768266696 JNAGAPPJJXFKQZ-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD CC(=O)[C@@H](Cc1ccccc1F)OC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 768595244 FYQVETANQKDGOB-QGZVFWFLSA-N 429.322 4.032 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 768707931 VIHSZTCOEDNNNQ-AWEZNQCLSA-N 430.823 4.457 5 20 IIBD C[C@H](OC(=O)c1ccc(Br)c(Cl)c1F)C(=O)Nc1ccc([N+](=O)[O-])cc1 769524419 CGMOGHKGSNJKQF-QMMMGPOBSA-N 445.628 4.334 5 20 IIBD C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 772328861 UUFRDQNPCZMJTQ-DLBZAZTESA-N 446.548 4.103 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2ccc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])c1 775106050 PCUPKTIDPNKGPC-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD Cn1c(COC(=O)CSc2ccc([N+](=O)[O-])cc2)nc2ccc(Br)cc21 775168150 SQKKNMGTKHMFKL-UHFFFAOYSA-N 436.287 4.080 5 20 IIBD O=C(Cc1ccc(NC(=O)C2CC2)cc1)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776139892 SMZUCPRPDNYPCJ-HSZRJFAPSA-N 431.448 4.214 5 20 IIBD O=C(COC(=O)c1c(C(F)(F)F)ccnc1Cl)Nc1cc([N+](=O)[O-])ccc1Cl 776468405 DOROSJTXKKUPNT-UHFFFAOYSA-N 438.145 4.111 5 20 IIBD O=C(O)C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(Cl)c1 776677123 KNBUEAUMFMYWJN-HNNXBMFYSA-N 431.857 4.318 5 20 IIBD O=[N+]([O-])c1cc(CNC[C@H]2COC3(CCOCC3)O2)ccc1Oc1ccccc1Cl 776956837 RMNYTMGDHPCDDB-INIZCTEOSA-N 434.876 4.052 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 777930845 MVZYUEROSSTWKE-JTQLQIEISA-N 432.830 4.386 5 20 IIBD Cc1nccn1CCCCOC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 778804719 GHAXXLFMKTZVOU-UHFFFAOYSA-N 438.271 4.229 5 20 IIBD O=C(OCC(=O)N(Cc1ccco1)c1ccccc1)c1cc([N+](=O)[O-])ccc1OC(F)F 778892770 ZOKMKOQXZZIMSS-UHFFFAOYSA-N 446.362 4.179 5 20 IIBD COc1cc(CNc2ccc(N3CCSCC3)cc2)c([N+](=O)[O-])cc1OCC(F)F 779045374 CADWUJXZMHIHMQ-UHFFFAOYSA-N 439.484 4.413 5 20 IIBD C[C@@H](OC(=O)[C@H](c1cccc(Cl)c1)N(C)C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 780103097 SXQWJWNRHXNSLY-PXAZEXFGSA-N 430.848 4.205 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1ccc(N2CCOC2=O)cc1 780289730 ROUSYPMXYOSPPQ-UHFFFAOYSA-N 444.465 4.093 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCc1noc(-c2ccc(F)cc2F)n1 781168233 AVCFRSIHAUWIEL-VIFPVBQESA-N 439.758 4.087 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCC(=O)c1ccc(Cl)c(Cl)c1 781734969 ANBBZSVTTRXYPH-UHFFFAOYSA-N 427.196 4.169 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cc(Br)ccc1NC1CC1 781994944 MUUPDGWUHNWVQT-UHFFFAOYSA-N 449.261 4.411 5 20 IIBD Cc1c(NC(=O)C(=O)N(Cc2ccccc2)c2ccc(N)cc2Cl)cccc1[N+](=O)[O-] 783484038 KABFDAOYNCMDGJ-UHFFFAOYSA-N 438.871 4.311 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)C[C@@H]21 784028026 AVLDZYXQCWPLDD-DZFGPLHGSA-N 441.532 4.041 5 20 IIBD C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 789648289 NFJXNOKKTFSUEX-VXGBXAGGSA-N 449.847 4.192 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1c1ncc(-c2ccccc2)[nH]1 790332825 AKTIPIACIFCWIJ-GOSISDBHSA-N 444.488 4.348 5 20 IIBD COCC(=O)COC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 795311362 GPJWKIOGUOOYBT-UHFFFAOYSA-N 429.372 4.137 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NS(=O)(=O)CCc1cccc(Cl)c1 803058640 TXOOFADQGUHIAZ-UHFFFAOYSA-N 442.946 4.051 5 20 IIBD CN(C)c1cc(F)c(C(=O)Nc2ccc3c(c2)N(CC(F)F)CCS3)cc1[N+](=O)[O-] 803595966 PJXZCZAAEJSACN-UHFFFAOYSA-N 440.447 4.229 5 20 IIBD CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 804227937 ANXVGSUSYOCFOK-KRWDZBQOSA-N 446.529 4.239 5 20 IIBD CCN(C)C(=O)CSc1ccc([C@@H](C)OC(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1 809074901 LYUHXHDCEKJQAX-CQSZACIVSA-N 432.498 4.092 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(-c3ccc(OCc4cccnc4)cc3)no2)cc2nsnc12 809228204 CNIFBDHETUJFAY-UHFFFAOYSA-N 432.421 4.291 5 20 IIBD COc1cc(N[C@@H]2CCCN(C(=O)Nc3cccc([N+](=O)[O-])c3Cl)C2)cc(OC)c1 809912808 KKADRXNFIMRADW-CYBMUJFWSA-N 434.880 4.374 5 20 IIBD C[C@]1(c2cc(F)ccc2F)NC(=O)N(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1=O 809952512 ZPHPCQURBKNMEN-QGZVFWFLSA-N 430.194 4.147 5 20 IIBD COCC1(COC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC1 812576993 REQKIUCJBMJJFA-UHFFFAOYSA-N 432.860 4.474 5 20 IIBD CCOc1ccc([C@H](O)C2CCN(C(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)CC2)cc1 812675279 DMPMURSWNBWCCE-AOMKIAJQSA-N 444.553 4.446 5 20 IIBD O=C(Nc1ccc(F)cc1)N[C@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 813433520 PGLJIMVNIASEBP-ZDUSSCGKSA-N 441.246 4.077 5 20 IIBD C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](C)c1ccc(N2CCCOC2=O)cc1 815634325 IKMPWSLPDIVZIP-HZPDHXFCSA-N 426.473 4.009 5 20 IIBD CCc1nc2ccccc2n1[C@H]1CCCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 816309475 WRGNQQLALSTTLJ-IBGZPJMESA-N 444.495 4.170 5 20 IIBD Cc1ccc(NC(=O)c2nnc(COC(=O)c3cc(Cl)ccc3[N+](=O)[O-])s2)cc1 844265347 NCMJLYBGTSGNCX-UHFFFAOYSA-N 432.845 4.017 5 20 IIBD CSc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 846285493 OLLUNAFHQLICBZ-CQSZACIVSA-N 429.498 4.101 5 20 IIBD COc1cc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)c([N+](=O)[O-])cc1OC 905166411 GOUJIKCFAIWBCN-UHFFFAOYSA-N 435.436 4.425 5 20 IIBD C[C@H](NC(=O)c1ccccc1NS(=O)(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccccc1 917725590 PPDXWKHRFJFLIQ-AWEZNQCLSA-N 443.456 4.026 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(CN3CCOC3=O)cc2)CC1 917786903 ZQOKIMPILJRRKY-UHFFFAOYSA-N 438.484 4.036 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)c1cc2c(s1)CCC2)c1cccc([N+](=O)[O-])c1 918636921 ISJKMDNIODEGLB-KRWDZBQOSA-N 428.510 4.387 5 20 IIBD CCc1cccc(CC)c1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 919227721 PRTFEXCWGQRGBV-ZDUSSCGKSA-N 429.429 4.120 5 20 IIBD C[C@H](Nc1ccc(C(=O)OCC(=O)N(C)C2CCCCC2)cc1[N+](=O)[O-])c1ccccn1 920549916 ZDIQQSUTUROWGM-INIZCTEOSA-N 440.500 4.111 5 20 IIBD O=C(Oc1c(Br)cccc1Br)c1cc2c(cc1[N+](=O)[O-])OCO2 921290247 URIOFFPZJHMVLV-UHFFFAOYSA-N 445.019 4.068 5 20 IIBD Cc1c(C(=O)N[C@@H](C)c2ccc(F)cc2OC(F)F)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 1116439532 FSBXJLFVBWRIDO-JTQLQIEISA-N 427.335 4.351 5 20 IIBD COCC1(c2nc(-c3cc(C)c([N+](=O)[O-])cc3C)no2)CCN(C(=O)OC(C)(C)C)CC1 1117593348 UKCKKNJOILKUMG-UHFFFAOYSA-N 446.504 4.177 5 20 IIBD Cc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)c(C)n1C1CC1 1251539779 WHZWFGWENHCTPP-UHFFFAOYSA-N 436.434 4.329 5 20 IIBD O=[N+]([O-])c1ccc(Cc2nnc(-c3nnc(-c4ccccc4)o3)o2)c(Br)c1 1261429005 KTFLFXHXFFBOKH-UHFFFAOYSA-N 428.202 4.048 5 20 IIBD O=C(CCc1nc2cc(Cl)ccc2s1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1318370671 COMHIFBGBDEBQS-UHFFFAOYSA-N 444.944 4.135 5 20 IIBD CCN(CC)C(=O)C1=C(C)N(c2ccccc2F)C(=S)N[C@@H]1c1ccc([N+](=O)[O-])s1 1320851487 MKHOTADJIPUWEH-GOSISDBHSA-N 448.545 4.374 5 20 IIBD Cc1cccc(N2N=C(C(=O)Nc3nc(-c4ccc(C)c([N+](=O)[O-])c4)cs3)CCC2=O)c1 1321457344 SDJUNQBSCOLHOW-UHFFFAOYSA-N 449.492 4.457 5 20 IIBD Cn1cc(-c2nnc(-c3cc([N+](=O)[O-])ccc3I)o2)c2ccccc21 1322510953 IQYUPWRTTLXLSY-UHFFFAOYSA-N 446.204 4.408 5 20 IIBD CCOc1cc([N+](=O)[O-])c(-c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)o2)cc1OC 1324299247 SLBPXYIJVUEFKV-CYBMUJFWSA-N 448.476 4.167 5 20 IIBD Cc1nn(Cc2ccc(-c3nnc([C@H](C)CN4CCC(C)CC4)o3)cc2)c(C)c1[N+](=O)[O-] 1325798964 VYTNPOYDNWIKKS-MRXNPFEDSA-N 438.532 4.342 5 20 IIBD CC(C)[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1792477098 AMTVZNJGBZMWGE-HRMJIJJXSA-N 441.572 4.238 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/C1CCCCC1 1800124965 LOTMYCMXTLJQDR-NWKATUPTSA-N 443.519 4.051 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2ccoc12)c1cccc(F)c1[N+](=O)[O-] 1801100998 QMKCVJRPRQGBQZ-MUJYYYPQSA-N 437.427 4.046 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])[nH]n1)C1CCC1 1816666067 CYEJGQOMULUAJI-KRWDZBQOSA-N 445.907 4.006 5 20 IIBD CCCC(=O)N[C@H]1CCc2nc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3C)sc2C1 1823703742 RFLINDCRIFZLIQ-LBPRGKRZSA-N 436.921 4.039 5 20 IIBD CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(F)c3[N+](=O)[O-])CC2)CCC1 1823709240 APMWVOBXOLHGQB-IBGZPJMESA-N 431.508 4.157 5 20 IIBD O=C(C1CCCCC1)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1824274702 LSIGGLVVRRSUTM-ZUURVNMSSA-N 443.544 4.401 5 20 IIBD O=C(c1ccccc1Cl)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 1829834201 FFHMEGMHJCFQOE-LJQANCHMSA-N 444.919 4.123 5 20 IIBD CCOC(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 10702076 FZPXTOKQRUAENF-NSHDSACASA-N 435.820 4.001 5 20 IIBD COc1cccc(CC(=O)O[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)c1 11705760 DKDUMTNLEUGODO-QHCPKHFHSA-N 434.448 4.378 5 20 IIBD C[C@H](OC(=O)[C@H]1Cc2ccccc2S1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 12994055 XFJUJTLONQVNOD-MGPLVRAMSA-N 440.399 4.201 5 20 IIBD Cc1ccc(S(=O)(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c(C)c1 14100290 RCZWKADORAMEJO-UHFFFAOYSA-N 426.450 4.232 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cc([N+](=O)[O-])ccc1Cl 15033394 RADJZTWQEMGWTD-UHFFFAOYSA-N 432.742 4.017 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 15798270 UCQYIROUXRHYQN-SNVBAGLBSA-N 427.240 4.403 5 20 IIBD O=C(OCCOC(c1ccccc1)c1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 21483429 JUGWTGZGTKLERH-UHFFFAOYSA-N 435.432 4.329 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nn1cnc2ccccc21 22024108 SJPQMPHPAHEPKX-UHFFFAOYSA-N 438.447 4.110 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)Cc2csc(-c3ccccc3)n2)cccc1[N+](=O)[O-] 25369047 WYHJCXGHLNKYQJ-AWEZNQCLSA-N 425.466 4.140 5 20 IIBD CC(=O)c1ccc(N2CCN([C@@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)c([N+](=O)[O-])c1 25494532 LSTUBPPKSXOXJH-INIZCTEOSA-N 435.484 4.039 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)Nc1c(F)cccc1F 28606610 QJTOYQJREWXHIT-UHFFFAOYSA-N 441.390 4.281 5 20 IIBD C[C@@H](OC(=O)c1cc(F)cc(F)c1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 28801679 YXXHIFKNYCJFBC-SNVBAGLBSA-N 433.392 4.181 5 20 IIBD COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COc2cccc([N+](=O)[O-])c2)cc1 28942436 VTGFAKAZXMWATR-HSZRJFAPSA-N 431.448 4.360 5 20 IIBD O=[N+]([O-])c1cccc(OCCSc2nnc(CN3CCCC3)n2Cc2ccccc2)c1 59122149 BNEQNIOPUNHDJZ-UHFFFAOYSA-N 439.541 4.002 5 20 IIBD Cc1ccc(C(=O)N2CCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])CC2)s1 59734682 VZKIAVRNONZCJV-UHFFFAOYSA-N 435.505 4.158 5 20 IIBD Cc1ccccc1NC(=O)c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 60487553 JUIFFFFRFWSDAR-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD O=C(N[C@H](COc1ccccc1F)c1ccccc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 71931412 SIIVCKFQSQLCMS-JOCHJYFZSA-N 446.438 4.470 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2oc3ccccc3c2C)cc1OC 107999216 GRXMHVYOSVBTNO-CQSZACIVSA-N 428.441 4.174 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-])c1ccccn1 108757469 ATUWXXAVHDDBJU-NQIIRXRSSA-N 445.523 4.167 5 20 IIBD O=C(Nc1ccc(Cl)cc1)N1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 109018367 DJVHROUVMCJWEV-UHFFFAOYSA-N 437.283 4.282 5 20 IIBD COCCn1c(Sc2ccc([N+](=O)[O-])c3cnccc23)nc2cc(Cl)ccc2c1=O 301055429 BCILHGYUGJMMQM-UHFFFAOYSA-N 442.884 4.304 5 20 IIBD COCc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2sc3ccccc3c2C)CC1 301477130 OYRUUXKDWOVYOX-UHFFFAOYSA-N 425.510 4.227 5 20 IIBD O=c1c(Cl)c(N[C@H]2CCCN(c3ccccc3F)C2)cnn1-c1ccc([N+](=O)[O-])cc1 301892781 SFLCKVFSYAURHF-AWEZNQCLSA-N 443.866 4.014 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(Br)cn3)cc2[N+](=O)[O-])C1 301995295 DNLAYECSIULVLL-CHWSQXEVSA-N 433.306 4.487 5 20 IIBD Cc1cc(NCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c2cc([N+](=O)[O-])ccc2n1 302211877 YRSKJUFCVPHDNM-IAGOWNOFSA-N 434.496 4.313 5 20 IIBD Cc1ccc(-c2csc(NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1[N+](=O)[O-] 302922826 XKLLFXGMGKNJEY-QGZVFWFLSA-N 436.493 4.014 5 20 IIBD COc1ccc(S(=O)(=O)Nc2nc(C)c(Cc3ccc(C)cc3)s2)cc1[N+](=O)[O-] 409531299 AAKKMLVVSUDBOT-UHFFFAOYSA-N 433.511 4.068 5 20 IIBD CCC[C@@]1(CO)CCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 426138534 IQQMRRVMTBWHNE-JOCHJYFZSA-N 445.903 4.125 5 20 IIBD CCOc1nc(C(F)(F)F)ccc1C(=O)Nc1cc(C)nn1-c1ccc([N+](=O)[O-])cc1 428295261 QFMQJDOOKKFPPN-UHFFFAOYSA-N 435.362 4.154 5 20 IIBD CCCNC(=O)c1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1Cl 429841818 BIIOIHZZIDOZGG-UHFFFAOYSA-N 440.681 4.403 5 20 IIBD Cc1cc(NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)ccc1C1CC1 430345376 QJULHKXNSRORFB-UHFFFAOYSA-N 432.274 4.429 5 20 IIBD CC(C)N(CC1CCC1)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 431549375 HKUXKMLHKDXZHL-UHFFFAOYSA-N 431.514 4.046 5 20 IIBD CC(=O)N1CCc2cc(NC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)ccc21 435818968 UTUZVFYOQYAAKO-UHFFFAOYSA-N 433.414 4.121 5 20 IIBD CCn1ccnc1[C@@H]1CCCCN1C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 435990460 GSXFNMYQJMLVEZ-FQEVSTJZSA-N 436.516 4.040 5 20 IIBD CCOC(=O)COc1cccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1 436086370 WJELTTKNQTUDRV-UHFFFAOYSA-N 434.423 4.015 5 20 IIBD COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 436362986 MGSLAJUPGHEIIL-QGZVFWFLSA-N 447.922 4.352 5 20 IIBD CCCOc1ccc(Cl)cc1NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 437044643 RCKUQBISDAZSKH-UHFFFAOYSA-N 431.876 4.167 5 20 IIBD CCOC(=O)[C@H](C)NC(=O)c1ccc(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 437243641 JAVUGVBYOMWIIC-HNNXBMFYSA-N 437.452 4.148 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](CCc1ccccc1)c1ccccc1 439697433 SREFYBFXKAGENQ-NRFANRHFSA-N 447.491 4.422 5 20 IIBD CCOc1cc(NC(=O)C(=O)Nc2cccc3ccsc23)c([N+](=O)[O-])cc1OCC 442215829 QDDGCBPCAWWYHK-UHFFFAOYSA-N 429.454 4.184 5 20 IIBD CCC(CC)(CNC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N[C@@H](C)c1ccccc1 444971211 WZQDNCZIVLDINS-INIZCTEOSA-N 438.532 4.180 5 20 IIBD Cc1nn(Cc2ccc(-c3nc([C@@H]4COc5ccccc5O4)no3)cc2)c(C)c1[N+](=O)[O-] 445483896 XHVLUYHGHJBZDR-IBGZPJMESA-N 433.424 4.019 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)cc1[N+](=O)[O-] 446045603 RBRNHOHXTDWXEX-GFCCVEGCSA-N 444.900 4.496 5 20 IIBD O=[N+]([O-])c1cccc(-c2csc(NS(=O)(=O)Cc3cc(Cl)ccc3F)n2)c1 446807583 BYFNWQMVEJNWGQ-UHFFFAOYSA-N 427.866 4.453 5 20 IIBD Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cnn1-c1ccccc1F 446998630 DYLROVSDIGHOSZ-UHFFFAOYSA-N 444.366 4.048 5 20 IIBD CCCc1[nH]nc(C(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)c1[N+](=O)[O-] 447694909 KCRNZELJYCNESJ-UHFFFAOYSA-N 437.243 4.412 5 20 IIBD CCn1nccc1C1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 447726605 GLNWHYYSHFOOMP-UHFFFAOYSA-N 436.462 4.196 5 20 IIBD CCn1c(S[C@@H]2CCCN(CC(F)(F)F)C2=O)nc2cc3ccccc3cc2c1=O 448108099 NTJCJIBNAIQTTB-QGZVFWFLSA-N 435.471 4.215 5 20 IIBD Cc1ccc(-c2nnc(N(C)CCc3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCCO2)o1 461810904 HHSAFZZRBSLGFN-LJQANCHMSA-N 425.489 4.003 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)cc1[N+](=O)[O-] 462156317 BTXPLYWTAWOSPA-OXQOHEQNSA-N 440.521 4.235 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(-c2cccc(Cl)c2)nn1CCO 462498042 DSAAVOKAVOMYHW-INIZCTEOSA-N 442.903 4.311 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 462498677 FBNKEDOXCTYQCZ-AVRDEDQJSA-N 445.947 4.007 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1nc(-c2cccc(Cl)c2)no1 462627111 BQKSWAMZFFCXBU-HNNXBMFYSA-N 428.876 4.226 5 20 IIBD Cc1nn(C)c(Sc2ccccc2)c1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 463680862 BLUAGSNJHRLXCR-UHFFFAOYSA-N 430.917 4.414 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(COc2cccc(C(C)=O)c2)on1 466506053 RRYTZFKLJLYFIA-UHFFFAOYSA-N 425.397 4.015 5 20 IIBD O=C(NCc1ccc(COCC(F)(F)F)cc1)NCc1ccc([N+](=O)[O-])cc1Cl 466567008 MKGKYQAVNQSJIA-UHFFFAOYSA-N 431.798 4.327 5 20 IIBD COc1cc(-c2cc3[nH]c(-c4ccc([N+](=O)[O-])s4)nc(=O)c3s2)cc(OC)c1OC 468784833 BTLHTFSNGGHCHM-UHFFFAOYSA-N 445.478 4.314 5 20 IIBD COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 470371296 FJZOSGZNLRKMRF-CYBMUJFWSA-N 445.859 4.228 5 20 IIBD CC(C)N1CCC(O)(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 472410978 OUGSYLCLNITEHX-UHFFFAOYSA-N 447.919 4.006 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] 474672698 LOPHWYPSCWJQOG-LLVKDONJSA-N 425.272 4.209 5 20 IIBD O=C(NC1(c2ccc(OCc3ccccc3)cc2)CCOCC1)c1cc(O)cc([N+](=O)[O-])c1 476764451 ZDMCOFUIROAOEE-UHFFFAOYSA-N 448.475 4.315 5 20 IIBD COc1cc(C(=O)N[C@@H](C)[C@H](OC)c2ccccc2Cl)c([N+](=O)[O-])cc1OC(F)F 479697538 XOXQKANIDXLFJJ-BTDLBPIBSA-N 444.818 4.364 5 20 IIBD Cc1ccc([C@H](C)NC(=O)NCCCOc2ccc(C(F)(F)F)cn2)cc1[N+](=O)[O-] 479704514 WVPKJRSINDDAJM-ZDUSSCGKSA-N 426.395 4.146 5 20 IIBD COC(=O)C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(C(F)(F)F)cc1 481586898 QBKMZFOMUQHPIK-OAHLLOKOSA-N 425.363 4.348 5 20 IIBD COC(=O)COc1ccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c2ccccc12 484354389 VUUZRNAQARIPNE-UHFFFAOYSA-N 449.463 4.496 5 20 IIBD COc1ccc(Br)cc1CS(=O)(=O)[C@@H](C)c1cc([N+](=O)[O-])ccc1C 485236704 YHGLBFVKPPVPOI-LBPRGKRZSA-N 428.304 4.350 5 20 IIBD COC(=O)C(C)(C)c1csc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)n1 485246045 OZSXIKQFTXZEPD-UHFFFAOYSA-N 440.481 4.498 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC[C@H](c3nnc4n3CCCCC4)C2)nc1-c1ccc(F)cc1 485392904 XGVOTTIBCDJVTL-KRWDZBQOSA-N 436.491 4.498 5 20 IIBD O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1cc([N+](=O)[O-])ccc1OC(F)F 485568944 LLNJXHKWVHRKHC-ZBFHGGJFSA-N 430.766 4.249 5 20 IIBD O=C(CCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)NCc1ccccc1 486234029 FWANUTWMGVXORW-UHFFFAOYSA-N 435.505 4.182 5 20 IIBD O=C(NC1(c2cccc(OC(F)(F)F)c2)CCOCC1)c1ccc([N+](=O)[O-])cc1F 486903034 XIRJGINYEYKMHV-UHFFFAOYSA-N 428.338 4.068 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(F)cc1OC1CCOCC1 488681362 HAHJOESDLQZZGE-UHFFFAOYSA-N 437.855 4.309 5 20 IIBD CCN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 490569585 UOCHZKPUTPAUCU-KRWDZBQOSA-N 435.480 4.042 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CCN(Cc3csc(C(C)(C)C)n3)CC2)cc1[N+](=O)[O-] 493074013 BIHVIEYGJVECAS-MRXNPFEDSA-N 445.589 4.246 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(-c3ncc(C(C)C)o3)cc2)cc1[N+](=O)[O-] 493979435 ZSEHUKKAYDXWTG-HNNXBMFYSA-N 436.468 4.498 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)N1CCS[C@H]2COCC[C@@H]21 494429563 KAZCZYQBZIZSCB-PMACEKPBSA-N 447.944 4.207 5 20 IIBD C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc2c(c1)CCC(=O)N2 494681462 KXJOZGPSRADSLF-LLVKDONJSA-N 436.390 4.059 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@@H](Cc2ccc(Br)cc2)C1 498018809 RZIZAVHBFKLJOK-INIZCTEOSA-N 433.302 4.217 5 20 IIBD C[C@H](c1ccc2ccccc2c1)N(C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C1CC1 498425370 WRJYMGHTVDQNTE-QGZVFWFLSA-N 446.507 4.299 5 20 IIBD Cc1ccc(-c2cc(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)nc(-c3ccccc3)c2)cc1 499282546 UMNGWPBKGSPZMN-UHFFFAOYSA-N 440.459 4.433 5 20 IIBD COc1cc(Cn2cc(C(F)(F)F)cc(Cl)c2=O)c([N+](=O)[O-])cc1OCC(F)F 502850475 SWWILKXDNICDOU-UHFFFAOYSA-N 442.724 4.130 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(Cc1ccccc1)CC1(CO)CC1 503536062 AENZVCKWCMCFBC-UHFFFAOYSA-N 437.418 4.098 5 20 IIBD Cc1ccc(S(=O)(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c([N+](=O)[O-])c1 507474097 CNUZBTYNJYBVCL-UHFFFAOYSA-N 429.479 4.251 5 20 IIBD C[C@@H](c1ccc(Cl)c(Cl)c1)S(=O)(=O)CCC(=O)Nc1ccccc1[N+](=O)[O-] 507705004 FZFHRXGVMDQMNC-NSHDSACASA-N 431.297 4.406 5 20 IIBD COc1cc(CNC2CCN(CC3CC3)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 509617873 MEKXVIGHZUYNIJ-UHFFFAOYSA-N 425.529 4.146 5 20 IIBD Cc1cc(OC(F)F)c(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])s1 510918826 GDAMUXRUTAKAEP-ZDUSSCGKSA-N 442.440 4.379 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 512932948 GPWOFVITTWSXCL-UHFFFAOYSA-N 429.561 4.241 5 20 IIBD C[C@@H](c1ccc(F)cc1F)N1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 513420684 PVTUKYQTTBHNML-INIZCTEOSA-N 441.482 4.152 5 20 IIBD COc1cc(OCC(=O)N(C)[C@H](C)Cc2ccccc2C(F)(F)F)ccc1[N+](=O)[O-] 515533779 GANHYDROZATKKL-CYBMUJFWSA-N 426.391 4.091 5 20 IIBD CCOc1cc(C(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)c([N+](=O)[O-])cc1OC 515636211 SYKKBCJSRKWIQS-UHFFFAOYSA-N 435.864 4.046 5 20 IIBD CCNC(=O)c1ccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c(C)c1 515690737 LVJNPSVWCQOCNN-HOTGVXAUSA-N 438.528 4.388 5 20 IIBD C[C@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 516015730 IEIQCVYRIXGRNC-LLVKDONJSA-N 433.367 4.101 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc(CN3CCOCC3)cc2)no1 518343487 FNOYJYSWIOLPKH-CQSZACIVSA-N 444.875 4.270 5 20 IIBD O=[N+]([O-])c1cccc(-c2ncn(Cc3ncc(-c4ccc(Br)cc4)o3)n2)c1 525116006 MCZGYXSUQZIEIK-UHFFFAOYSA-N 426.230 4.319 5 20 IIBD COc1cc(CN[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 525708748 WTIIVDQOTWUASO-PTUXOGIPSA-N 426.513 4.476 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN(CCCO)C(c1ccccc1)c1ccccc1 533372276 WMVWUWHTSICAHL-UHFFFAOYSA-N 433.508 4.316 5 20 IIBD Cc1c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cccc1[N+](=O)[O-] 534207883 RZJDLBZNDQGUGT-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD CN1CC[C@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 534247685 BYSOGGHULLVEKS-XIKOKIGWSA-N 426.275 4.464 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2nnc3n2CCC3)C1 537472317 VUYIIDCYMITCOW-OAHLLOKOSA-N 429.546 4.045 5 20 IIBD CC(C)(C)Oc1ccc(CNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)c(C(F)(F)F)c1 541114847 FNNZMAUPLLZUOJ-UHFFFAOYSA-N 447.435 4.050 5 20 IIBD Cc1c([N+](=O)[O-])cnc(NCc2ccc(NC(=O)c3cccnc3)cc2)c1Br 542507589 RIXKUMBOGZMFDQ-UHFFFAOYSA-N 442.273 4.320 5 20 IIBD COc1ccc(-c2nc(C)c([C@H](C)NC[C@H](O)COc3ccccc3[N+](=O)[O-])s2)cc1 542567477 AGWZXSZKXVETMO-YOEHRIQHSA-N 443.525 4.126 5 20 IIBD Cc1cc(-c2noc([C@H](C)N[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)n2)ccc1F 543551800 PNVRIJSESHLYBF-NEPJUHHUSA-N 447.854 4.424 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1[N+](=O)[O-] 543908871 WPLYVPVBFPVUGG-ZFWWWQNUSA-N 425.411 4.226 5 20 IIBD CC(C)(COc1ccc(C(F)(F)F)cn1)NC(=O)CSc1ccccc1[N+](=O)[O-] 544086810 NQDJXCFCHBZKFE-UHFFFAOYSA-N 429.420 4.075 5 20 IIBD COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2C(=O)CCn2cc([N+](=O)[O-])nc2C)c1 544250775 UIOUVWUPNNNDFP-QPPBQGQZSA-N 434.496 4.256 5 20 IIBD O=[N+]([O-])c1ccccc1Cc1noc(C2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1 545532933 OXSZEZAKDNKAFV-UHFFFAOYSA-N 433.390 4.366 5 20 IIBD COc1cc(Cc2noc(COc3cccc([N+](=O)[O-])c3)n2)ccc1OCC(F)(F)F 547057771 HJMCDTJSVFZANF-UHFFFAOYSA-N 439.346 4.097 5 20 IIBD O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CCCCC[C@@H]1c1ccco1 551496700 XIPKEMGIQXMLBS-OAHLLOKOSA-N 436.262 4.033 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN(CC(=O)N2CCc4ccc([N+](=O)[O-])cc42)C3)cs1 552834189 QUNPKJFYCGKAFH-UHFFFAOYSA-N 440.550 4.036 5 20 IIBD COCC1(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CCOCC1 553023953 AVJDNPZHUJJWQV-UHFFFAOYSA-N 447.919 4.033 5 20 IIBD O=C(N[C@H](c1ccc(Cl)cc1)C1CCC1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 553549841 DZWUVKKOWURXTL-NRFANRHFSA-N 441.915 4.397 5 20 IIBD CCCN(C)[C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1 553577542 GRNDWOUQIZDFJZ-OAHLLOKOSA-N 431.967 4.208 5 20 IIBD CC(=O)N1C[C@H]2[C@@H](NC(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)CCC[C@H]2C1 554723029 MXFQOWSFBBYMBJ-WTOYTKOKSA-N 439.537 4.123 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3cnc(O)c4ccccc34)n2)c(Br)c1 554806743 WRRRWRHJJOPJBJ-UHFFFAOYSA-N 427.214 4.252 5 20 IIBD COc1ccc(Cl)cc1NC(=O)CCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 560143925 FOZKMUXETVECGT-UHFFFAOYSA-N 445.781 4.034 5 20 IIBD O=C(Nc1cccc(CS(=O)(=O)c2ccccc2)c1)Nc1ccc([N+](=O)[O-])cc1F 562040634 NHZWEKCYAXYLBL-UHFFFAOYSA-N 429.429 4.352 5 20 IIBD CC(C)Oc1ccc(CNCc2cc(I)cc([N+](=O)[O-])c2)cc1 562078508 KETWHKNMZWOLFC-UHFFFAOYSA-N 426.254 4.276 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1c2ccccc2CC12CCOCC2 570891444 KZTKLFYOPUSDFY-OAQYLSRUSA-N 430.888 4.228 5 20 IIBD C[C@@H]1C[C@H](c2ccc(F)cc2)CN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 571482734 RSAVOSVMYQTGKB-YPMHNXCESA-N 443.294 4.063 5 20 IIBD COc1cc(Cc2noc(-c3cccc(Br)c3C)n2)c([N+](=O)[O-])c(OC)c1 573908707 JURHXPJQZKYOJQ-UHFFFAOYSA-N 434.246 4.324 5 20 IIBD COc1cc(Cc2noc(Cc3ccc(Br)cc3C)n2)c([N+](=O)[O-])c(OC)c1 581863595 FNSYOHBTCFGLJN-UHFFFAOYSA-N 448.273 4.248 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 586825727 AWAIAPVZMMXKPJ-PBHICJAKSA-N 449.429 4.138 5 20 IIBD CC1(C)C(=O)N[C@@H]1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 590526683 GSBPZRUXLDJACY-HXUWFJFHSA-N 445.585 4.254 5 20 IIBD COc1cc(C(=O)N[C@H]2CCN3CCC[C@H]3C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 603919704 WSVVOAOEDQYNOH-IRXDYDNUSA-N 445.903 4.406 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)N2C[C@@H](c3ccccc3Cl)OC[C@H]2C)cc1[N+](=O)[O-] 609545321 COSXFPXMFZLGFT-ZMZPIMSZSA-N 445.324 4.361 5 20 IIBD O=C(NCC1CC1)[C@H]1CCCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 609781029 LREZPSCKENDNLL-KRWDZBQOSA-N 438.484 4.157 5 20 IIBD Cn1cnc2c(NCc3ccc(Oc4ccc([N+](=O)[O-])cc4Cl)c(F)c3)ncnc21 609797621 IJBIMSBSKIZESI-UHFFFAOYSA-N 428.811 4.468 5 20 IIBD CC(C)(C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1ccc([N+](=O)[O-])cc1 610064817 BXKUPOACOHZTKM-GOSISDBHSA-N 433.911 4.446 5 20 IIBD CNC(=O)Cc1ccc(NCc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])cc1 610909738 ZGPMMLCJSBSNJS-UHFFFAOYSA-N 435.480 4.083 5 20 IIBD CC1CCC(NS(=O)(=O)c2ccc(N3CCC[C@@H]3c3cccnc3)c([N+](=O)[O-])c2)CC1 612105962 BQFDEGQTJBJGLS-OUNSHVDWSA-N 444.557 4.188 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCO[C@@H](c4ccco4)C3)n2CCc2ccccc2)c1 619824417 RASKESQXXSHUAT-JOCHJYFZSA-N 445.479 4.267 5 20 IIBD O=C(NC1CCN(c2cccs2)CC1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 672856225 AKUBSRRNSRXJBM-UHFFFAOYSA-N 439.487 4.420 5 20 IIBD COc1ccc(CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1OC1CCCC1 728499053 QUCHVMUCJKHAPS-UHFFFAOYSA-N 429.429 4.071 5 20 IIBD COc1ccc(-c2ccc(CNC3CCN(C(=O)OC(C)(C)C)CC3)o2)c([N+](=O)[O-])c1 729680510 SFSCPPVAGPRDPY-UHFFFAOYSA-N 431.489 4.353 5 20 IIBD O=C(COC(=O)CCc1cc(Br)cs1)Nc1cc(Cl)ccc1[N+](=O)[O-] 730648278 WLGSFWQHSRGEII-UHFFFAOYSA-N 447.694 4.187 5 20 IIBD COc1ccc(S(=O)(=O)NC(=O)C2(c3ccc(C(C)C)cc3)CCCC2)c([N+](=O)[O-])c1 731135771 JXCGPMFDRDJVBH-UHFFFAOYSA-N 446.525 4.044 5 20 IIBD O=C(c1cc(Cl)nc(N2CCCC2)c1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 732934777 KAHALAJVDZMKFA-UHFFFAOYSA-N 442.825 4.448 5 20 IIBD CCOc1ccc(-c2noc(CCC(=O)OCc3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 735800620 NEGXWYNGGWXIPS-UHFFFAOYSA-N 431.832 4.373 5 20 IIBD O=C(NCc1ccc(Cl)nc1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 736004684 OGGJXSGJDPRHPF-UHFFFAOYSA-N 426.647 4.066 5 20 IIBD CC(=O)Nc1cccc(NC(=O)[C@@H](OC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C(C)C)c1 736864974 ABTRBDDYTKZVJS-SFHVURJKSA-N 433.848 4.027 5 20 IIBD O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 742851729 AFKZJMPCYMTYDU-UHFFFAOYSA-N 425.876 4.346 5 20 IIBD C[C@@H](OC(=O)c1cn(C)nc1C1CCCCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 744930505 UWBHFJKUCXMYBD-CYBMUJFWSA-N 425.445 4.344 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1 745388803 VVFBPZNGADSEAC-NSHDSACASA-N 447.419 4.489 5 20 IIBD O=C(COC(=O)COc1cc(Cl)cc(Cl)c1)Nc1ccc([N+](=O)[O-])cc1Cl 745601128 YTELFETUYWNWJF-UHFFFAOYSA-N 433.631 4.116 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 747121837 ZAIALUKYDPCSDN-UHFFFAOYSA-N 427.848 4.034 5 20 IIBD CN(C[C@@H]1CCOC1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 749432119 HKLHWKTWFVVNJS-NRFANRHFSA-N 437.540 4.162 5 20 IIBD CN(C(=O)c1cccc(C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)c1)c1ccccc1 751661119 YEVRLDLPNPEDHK-UHFFFAOYSA-N 431.404 4.370 5 20 IIBD CCCNC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2Br)cc1Cl 753803102 QIWISTQOYHHPDT-UHFFFAOYSA-N 440.681 4.403 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1OC 755865705 BCWICSHWYGDDMP-AEFFLSMTSA-N 428.485 4.070 5 20 IIBD COc1ccc(-c2ccc(CN[C@@H]3CCN(c4c(F)cccc4F)C3=O)o2)c([N+](=O)[O-])c1 756152242 ZERRIMNWDQVFBA-GOSISDBHSA-N 443.406 4.037 5 20 IIBD COc1cc(C(=O)OCc2cc(Br)cc3cccnc23)c([N+](=O)[O-])cc1OC 759856141 KPXKAOZXADHGSI-UHFFFAOYSA-N 447.241 4.280 5 20 IIBD O=C(CCc1nnc(-c2ccsc2)o1)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760483876 UAHIJPLREMHSJI-UHFFFAOYSA-N 426.410 4.037 5 20 IIBD C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1nc(-c2ccccc2)no1 760931586 FCOODDBEAVWJMZ-INIZCTEOSA-N 435.484 4.169 5 20 IIBD Cc1nc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)oc1-c1ccc(Cl)cc1 761585302 DZWSJVOYNLQLOA-UHFFFAOYSA-N 430.804 4.358 5 20 IIBD C[C@H](NC(=O)COC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 763410894 ZHEKZXAOGDHOPZ-RYUDHWBXSA-N 425.268 4.426 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@@H](C)Cc1ccc(Br)cc1 766237654 NZONGGIPRHWGNI-ZDUSSCGKSA-N 435.274 4.026 5 20 IIBD O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H]1COC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2 766354579 XTANXOXUJHEJMT-LINZTHPZSA-N 430.476 4.051 5 20 IIBD Cc1csc(-c2cccc(OS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc34)c2)n1 766485446 SNEUAJWNGCDKAG-UHFFFAOYSA-N 427.463 4.343 5 20 IIBD Cn1ccnc1[C@@H](O)[C@@H]1CCCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 770334239 FKSTUKIOBGLUAQ-VGSWGCGISA-N 440.475 4.205 5 20 IIBD CCN([C@H](C)Cc1ccsc1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 778137876 MJZAVTZRXCLXQK-LLVKDONJSA-N 433.349 4.061 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)c1cccc(Oc2nccs2)c1 778799028 KAJASOGIOFOBAX-MRXNPFEDSA-N 429.429 4.418 5 20 IIBD O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1CCC[C@@]12CCOC2=O 779253701 OEMISUYQLZMQPO-FQEVSTJZSA-N 432.885 4.321 5 20 IIBD COc1cc(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)c([N+](=O)[O-])cc1OCC(F)F 779820663 LVXWKDIAFQDGSD-UHFFFAOYSA-N 434.355 4.067 5 20 IIBD COc1cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc(OC)c1C(C)C 781296752 XJLFCHRWKBFAFF-UHFFFAOYSA-N 436.848 4.184 5 20 IIBD O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781673856 WOYAAFJYLLXZFF-KCEHZKJRSA-N 449.488 4.034 5 20 IIBD CCOc1ccc(Cl)cc1CCNC(=O)c1cccc([N+](=O)[O-])c1Br 782176108 VJAVFPRKBQQNKQ-UHFFFAOYSA-N 427.682 4.382 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])c(F)c1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 782611541 QMMOLYYNNDWWRW-UHFFFAOYSA-N 441.864 4.217 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 783019262 DWOLFDMKWAFZBJ-IAGOWNOFSA-N 432.521 4.105 5 20 IIBD C[C@@H]1CSc2ccccc2N1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 784040999 VSDHJYBNNANFLQ-SNVBAGLBSA-N 429.317 4.047 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)OC(C)(C)C)C1 784566871 WINCAYXLNAWDKN-ILRDRHFLSA-N 449.573 4.227 5 20 IIBD COc1cccc([C@H](C)CCCC(=O)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 789412317 LGLNTWWJZBEVJP-CYBMUJFWSA-N 440.905 4.036 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccc(N2CCCCC2=O)cc1 794219839 YIDYVAOOTLOTKR-QGZVFWFLSA-N 436.512 4.203 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N(CCO)Cc1cccnc1Cl 794325186 GGNWPICCERSBOR-UHFFFAOYSA-N 443.912 4.429 5 20 IIBD CCOC(=O)/C(=C\c1cccc(OCc2ccccc2C(=O)O)c1)c1ccc([N+](=O)[O-])cn1 794945336 ZVYQPOLUJQQGAA-BKUYFWCQSA-N 448.431 4.371 5 20 IIBD COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Oc1c(Cl)cccc1[N+](=O)[O-] 795879847 NMBMQGSPZNHTPX-UHFFFAOYSA-N 440.644 4.109 5 20 IIBD C[C@H](N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Br)cn1 796499765 XUWSAUYDPOWOCB-VHSXEESVSA-N 427.686 4.084 5 20 IIBD O=C(CCc1nc2ccccc2[nH]1)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 798154186 ACZWPMVPZWPPAR-UHFFFAOYSA-N 430.420 4.262 5 20 IIBD COc1cc(CN2CCCC3(CCN(C)CC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 798956800 AMMVWBSEQAKBJC-UHFFFAOYSA-N 439.556 4.490 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCc1ccccc1Sc1ccccc1 800604028 FNOHMVSLNWJZEN-UHFFFAOYSA-N 439.468 4.448 5 20 IIBD CCOc1cc(CN2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)ccc1[N+](=O)[O-] 801543782 MOPDVMASXMZMLM-UHFFFAOYSA-N 440.418 4.376 5 20 IIBD CCc1nc2cc(CNc3c([N+](=O)[O-])cc(CO)c(C)c3[N+](=O)[O-])ccc2n1C1CC1 801674124 TXHSVNVFKPLUIH-UHFFFAOYSA-N 425.445 4.163 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1CCNC(=O)OC(C)(C)C 805299575 XTZQFRHFFIGQOH-MOPGFXCFSA-N 433.549 4.459 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(Cc1c(Cl)cccc1Cl)C1CC1 807400283 YWPHPMGLAAGKFU-UHFFFAOYSA-N 440.258 4.479 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 808159131 MWANGOCOPJITIY-GOSISDBHSA-N 443.353 4.092 5 20 IIBD COc1ccc(NC(=O)NC[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] 808842962 KCLNQNCLXMCHOU-SHTZXODSSA-N 436.509 4.056 5 20 IIBD CCN(C)C(=O)CSc1ccc([C@@H](C)OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 809078864 WBBVTDLQHKKEIU-SNQWNFELSA-N 428.510 4.483 5 20 IIBD C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC[C@H](O)c1ccc(Cl)c(Cl)c1 809755376 PTKOTUMQCQKXFJ-XIKOKIGWSA-N 426.300 4.332 5 20 IIBD C[C@H](N[C@@H](C)c1ccc(N2CCCCC2=O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 810129041 RPHOBAKNPLSFQN-GJZGRUSLSA-N 444.919 4.443 5 20 IIBD O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F 811214897 HWZZPPFAQOUHTD-TUVASFSCSA-N 428.388 4.117 5 20 IIBD CC[C@H](C)C(=O)N1CCC[C@H](C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 811216543 NGNVCPRLZLLGSC-HOCLYGCPSA-N 431.514 4.046 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N1CC[C@@H](n2cccn2)C1 812874999 KVCAXYBCVGPKIP-XLIONFOSSA-N 425.876 4.072 5 20 IIBD CSc1cccc(C(=O)OC[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)c1[N+](=O)[O-] 813156655 CGYWHJRHSNESNF-LBPRGKRZSA-N 446.472 4.366 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Oc1cccc(Cl)c1[N+](=O)[O-] 814901465 OJSKDWZWYUXWOH-UHFFFAOYSA-N 426.712 4.242 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCC(OC[C@@H]2CCCO2)CC1 815347248 XVFKYBQMLYQGKW-GQOXECLESA-N 430.457 4.047 5 20 IIBD COCCOc1ccc(NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)c(C)c1 821157726 QVSUZONAQCVNOL-UHFFFAOYSA-N 435.285 4.036 5 20 IIBD CCCc1noc2nc(C3CC3)cc(C(=O)O[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)c12 915577904 VSHCBBPSPBQXJO-GFCCVEGCSA-N 438.440 4.145 5 20 IIBD O=C(NCCc1ccc(OC(F)(F)F)cc1)c1ccc(Br)c([N+](=O)[O-])c1 916397311 LRBUASSXQCKKJA-UHFFFAOYSA-N 433.180 4.228 5 20 IIBD COc1ccc(OC(=O)CSc2nncn2-c2ccc(C(C)C)cc2)c([N+](=O)[O-])c1 916987686 UTTIJPXJJVVERM-UHFFFAOYSA-N 428.470 4.005 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1 917757373 QNIPTZWWYDJLLK-UHFFFAOYSA-N 430.399 4.266 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1 919687118 VMTJUANWIBJHRJ-XCJXAGMVSA-N 443.887 4.290 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@H]2COc3ccccc3C2)cc1[N+](=O)[O-])c1ccccn1 919694576 YNPVOOQUBOWFFL-IRXDYDNUSA-N 432.480 4.144 5 20 IIBD O=C(CSCc1ccc(Cl)cc1)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 920148831 ZJMUKFMVQNTJAN-UHFFFAOYSA-N 443.308 4.108 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](C)c1ccc(N2CCCC2=O)cc1 920946180 MDEXHJMFCIMRDU-KGLIPLIRSA-N 431.876 4.020 5 20 IIBD CCOC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)sc2ccccc12 921005980 LGNXVVKKXPOISO-UHFFFAOYSA-N 430.438 4.012 5 20 IIBD C[C@@H](CC(=O)OC(C)(C)C)NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 1116052139 SYHYMGJOCYVFNF-GJZGRUSLSA-N 428.489 4.013 5 20 IIBD O=C(O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1nc(C2CC2)n(-c2ccccc2)n1 1254197271 VKVCQDRUBMDMJH-OAQYLSRUSA-N 441.447 4.394 5 20 IIBD CCN(CC)C(=O)C1=C(C)N(c2ccc(C)cc2)C(=S)N[C@H]1c1ccc([N+](=O)[O-])cc1 1317730003 JGFWKNWQAZUWAR-NRFANRHFSA-N 438.553 4.481 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(-c2oc3ccccc3c2CS(C)(=O)=O)n1 1323914934 NVVGWJJJYBBEGY-UHFFFAOYSA-N 427.438 4.219 5 20 IIBD COc1ccc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2C)c2ccc(OC)cc2OC)cc1 1327544356 RJOHGWKCIKPQCM-QHCPKHFHSA-N 436.464 4.448 5 20 IIBD COc1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)c2ccc(OC)cc2OC)cc1 1330740368 MCHOVTFTDTULOT-QFIPXVFZSA-N 440.427 4.279 5 20 IIBD CC(C)(C)OC(=O)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccccc1 1338256028 HATNPXQYAJBPKZ-INIZCTEOSA-N 435.274 4.170 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(-n3cccc3)ccc2F)ccc1[N+](=O)[O-] 1338446629 NYTJSBBAMHHFLY-OAQYLSRUSA-N 436.443 4.076 5 20 IIBD CC(C)(F)C(=O)Nc1ccc(C2(NC(=O)c3cc([N+](=O)[O-])cc4c3OCC4)CCC2)cc1 1787942199 JQOWZKYOLDQDFH-UHFFFAOYSA-N 441.459 4.026 5 20 IIBD C[C@@H]1C[C@@]1(C)C(=O)NC1(c2ccc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCC4)cc2)CCC1 1790045003 AKQHPQHFGHLJKM-OYLFLEFRSA-N 449.507 4.324 5 20 IIBD CC(C)(F)C(=O)NC1(c2ccc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCC4)cc2)CCC1 1790046952 VBAYCXMHHQHRMM-UHFFFAOYSA-N 441.459 4.026 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cc(F)cc([N+](=O)[O-])c4)cc3)CCC2)ccn1 1790697699 MQKWHCOVECFGFT-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)C3)c1 1799652419 GVOVCVFIWGYTQL-REPLKXPHSA-N 441.915 4.431 5 20 IIBD Cc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(Cl)cc2)C3)cc1[N+](=O)[O-] 1800138199 NDOFHOUHSCYWEF-ACDBMABISA-N 441.915 4.051 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C13CCC(CC1)CC3)C2 1804345886 QQSHYJIHMCHXCP-HCGKSAQNSA-N 437.540 4.217 5 20 IIBD CCCCC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc([N+](=O)[O-])o2)n[nH]1 1814312467 OQZRQANTBLUKIT-HOCLYGCPSA-N 431.493 4.433 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)[nH]n1)c1ccc(C2CC2)cc1 1821306588 MBZYYOOFTCMOTA-IBGZPJMESA-N 448.483 4.143 5 20 IIBD COc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCC(C)C)n[nH]2)ccc1[N+](=O)[O-] 1821934603 WQFYJLYOQDUZET-QGZVFWFLSA-N 443.504 4.069 5 20 IIBD CCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])c(OC)c2)[nH]n1 1821939680 BDCQGHKWQVULIJ-INIZCTEOSA-N 443.504 4.069 5 20 IIBD O=C(C1=CCCC1)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830494541 AUVKFQGDYFXSFU-OAQYLSRUSA-N 429.492 4.078 5 20 IIBD Cc1ccc(C(=O)c2ccccc2C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 3529654 OTBIKVGSCITEFO-UHFFFAOYSA-N 433.416 4.358 5 20 IIBD CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 10856118 AERMLNDKLMJSEW-IBGZPJMESA-N 449.960 4.067 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3nc4c(s3)CCCCC4)cc2)c(C)c1[N+](=O)[O-] 12828961 KAIUAHYIZNWMRH-UHFFFAOYSA-N 425.514 4.434 5 20 IIBD O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1cc([N+](=O)[O-])ccc1N1CCOCC1 16709740 JINUCCOZKAQNNH-QGZVFWFLSA-N 433.917 4.052 5 20 IIBD O=Cc1cc([N+](=O)[O-])ccc1OCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 24636713 LIQXSVWPFBSLJG-MRXNPFEDSA-N 441.490 4.287 5 20 IIBD C[C@@H]1CCCN(Cc2csc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)n2)C1 26361291 OOQWOTPEHNUHOO-QGZVFWFLSA-N 446.576 4.482 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2cc(C)n(CC(F)(F)F)c2C)cccc1[N+](=O)[O-] 28175250 XCENKZVJQGZWSP-ZDUSSCGKSA-N 427.379 4.068 5 20 IIBD O=C(Nc1ccc(OC(=O)[C@@H]2Cc3ccccc3O2)cc1)c1cc([N+](=O)[O-])ccc1Cl 29479879 WXRKBUAGXHCULE-FQEVSTJZSA-N 438.823 4.410 5 20 IIBD Cc1ccccc1-n1nc(-c2ccccc2)cc1NC(=O)CCn1cc([N+](=O)[O-])nc1C 61160919 NHAQYQPSODEMFZ-UHFFFAOYSA-N 430.468 4.290 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)N2CCC(c3c[nH]c4ncccc34)CC2)cc1[N+](=O)[O-] 64950530 VLZZPOWEUCYIJA-UHFFFAOYSA-N 434.905 4.001 5 20 IIBD O=C(NCc1ccc(N2CCCCCC2)nc1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 71942924 KJRIKXBSSHIDJZ-UHFFFAOYSA-N 435.431 4.293 5 20 IIBD COc1ccc(-c2nc(CN3CCN(c4ccc(F)cc4[N+](=O)[O-])CC3)cs2)cc1 105514872 ZNBHBYSELLOOGA-UHFFFAOYSA-N 428.489 4.188 5 20 IIBD COc1ccc2oc(C)c(C(=O)N[C@H](CC(=O)OC(C)C)c3ccccc3[N+](=O)[O-])c2c1 107916966 AJSRWKWCERTUBB-GOSISDBHSA-N 440.452 4.471 5 20 IIBD O=C1[C@H](Nc2cccc(COCC(F)(F)C(F)F)c2)CCN1c1cccc([N+](=O)[O-])c1 261401455 LYQWSFWJSCBLOQ-QGZVFWFLSA-N 441.381 4.229 5 20 IIBD CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 261461094 TUHPNQXAXLPJOH-SJORKVTESA-N 425.485 4.200 5 20 IIBD Cn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1[C@@H]1COc2ccccc2O1 301076923 HVQNNCTZMIKSGQ-AWEZNQCLSA-N 438.387 4.406 5 20 IIBD CCCN(C(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)[C@@H]1C[C@H](OCC)C12CCCC2 303841517 NAEQGEYJPBLXON-UXHICEINSA-N 427.501 4.439 5 20 IIBD CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 409528835 IULKGRULTVIVDV-UHFFFAOYSA-N 440.269 4.237 5 20 IIBD COc1coc(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)cc1=O 409721719 SOSNGJVGQMHNRQ-UHFFFAOYSA-N 448.790 4.071 5 20 IIBD Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)C2)c1 428719450 PLDSDUQZSLVWAW-LJQANCHMSA-N 436.512 4.338 5 20 IIBD C[C@@H](NC(=O)CNC(C)(C)c1ccccc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 429230763 MOMXMIIYNDHXFP-CYBMUJFWSA-N 425.407 4.196 5 20 IIBD O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1cc2ccccc2c2cccnc12 429339188 ZMFJIPDNJQYTGQ-JOCHJYFZSA-N 425.532 4.409 5 20 IIBD CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 430608188 CXAXCQWNBZZJTB-UHFFFAOYSA-N 435.274 4.494 5 20 IIBD CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 431487099 AQFWYRMFOVYOEE-UHFFFAOYSA-N 447.333 4.131 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1nnc([C@@H]2CCCc3ccccc32)s1 432533059 YFUQPYKOYSLPHN-OAHLLOKOSA-N 430.511 4.024 5 20 IIBD CCCN(C(=O)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C 433605845 XUYWUVCJEPTLDK-UHFFFAOYSA-N 439.921 4.310 5 20 IIBD COc1cccc(C(=O)N(C[C@@H]2CCCO2)c2ccc(Br)cc2)c1[N+](=O)[O-] 435488237 AWEJVKWBFIIQJD-HNNXBMFYSA-N 435.274 4.192 5 20 IIBD O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1O 436962254 DPNSPSZHYZDXRL-MRXNPFEDSA-N 438.267 4.241 5 20 IIBD COC(=O)c1cc(Br)cc(NC(=O)CCc2cccc([N+](=O)[O-])c2)c1Cl 440165895 VTSBYOMELQRJCZ-UHFFFAOYSA-N 441.665 4.369 5 20 IIBD C[C@@H](Cc1ccc(Cl)cc1)N(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@@H](C)O 441283779 WYXASCMJSRBLCR-LSDHHAIUSA-N 430.892 4.112 5 20 IIBD CC(C)c1[nH]nc(C(=O)N2CCC(C)(c3ccc(Br)cc3)CC2)c1[N+](=O)[O-] 442969402 CUZRLIRGKBMETN-UHFFFAOYSA-N 435.322 4.398 5 20 IIBD Cc1ccc2oc(-c3nnc(NS(=O)(=O)c4cc(C)c(C)cc4[N+](=O)[O-])o3)cc2c1 443152812 BOMJAKPOWYVRLW-UHFFFAOYSA-N 428.426 4.117 5 20 IIBD COC(=O)c1ccc(OC(C)C)c(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 443862303 UJWLHSRMELBZAG-UHFFFAOYSA-N 426.347 4.440 5 20 IIBD CC[C@@H]1Oc2cc([C@@H](C)NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)ccc2NC1=O 444130481 LKQQJSACTNAFCU-PEBXRYMYSA-N 441.487 4.282 5 20 IIBD Cn1cnc([N+](=O)[O-])c1-c1noc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1 445577316 OZVACGCCKGKXPG-UHFFFAOYSA-N 432.318 4.251 5 20 IIBD O=C(CCc1nc(-c2ccoc2)no1)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] 446436019 JUOIMPLPOBVBEE-UHFFFAOYSA-N 434.408 4.388 5 20 IIBD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2cn(-c3ccccc3)nc2-c2ccncc2)n1 447542760 QAVBTJDVVZBHRO-FGZHOGPDSA-N 443.511 4.313 5 20 IIBD Cc1ccccc1[C@H]1CN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])[C@@H](C)CO1 460405104 NZWLNYDEFSPODI-IFXJQAMLSA-N 438.402 4.447 5 20 IIBD CCOc1ccc(C2(CNC(=O)[C@@H](CC)Cc3ccc([N+](=O)[O-])cc3)CCOCC2)cc1 462491786 PGNDAFMEQVYTLS-FQEVSTJZSA-N 440.540 4.427 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NCC(C)(C)C[C@@H](C)O)c([N+](=O)[O-])c1 462880631 ZJZBIXMASRMOLH-MRXNPFEDSA-N 435.546 4.019 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H](C)C2(CCCCC2)C1 463171968 PBVMAAFWDBOFAO-XLIONFOSSA-N 447.601 4.265 5 20 IIBD CCN(CC)[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(OC)c1 463340724 RMELENMNKZNSLS-LJQANCHMSA-N 439.434 4.435 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1ccc(OC2CCC2)cc1)c1ccccc1[N+](=O)[O-] 463443028 MRGZBYNPLJRKKD-FQEVSTJZSA-N 426.469 4.339 5 20 IIBD Cc1ccc([C@H](NC(=O)c2cc(C)cc([N+](=O)[O-])c2)c2cccc(S(C)(=O)=O)c2)cc1 464365648 YNJJFCZAZCPBOW-QFIPXVFZSA-N 438.505 4.135 5 20 IIBD O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 465308802 SNHXCBBFCWGFKS-VAKZPMALSA-N 427.888 4.110 5 20 IIBD CC[C@H]1Oc2cc([C@H](C)Nc3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)ccc2NC1=O 467010137 BSTZYDSNVFSLSI-VBKZILBWSA-N 438.484 4.113 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 467882499 FJNPOQZSQXQMCE-UHFFFAOYSA-N 445.809 4.448 5 20 IIBD Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C 468164384 NDKZWWTXHYKMSU-MRXNPFEDSA-N 434.500 4.423 5 20 IIBD COC(=O)COc1ccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c2ccccc12 468329793 UADYTRPBRLPKSI-UHFFFAOYSA-N 437.452 4.357 5 20 IIBD Cn1cc(Nc2cccc(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])c2)cn1 468985627 NEGOMAUFGRIPMN-UHFFFAOYSA-N 435.362 4.265 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 469312637 ZDYDXWYXAOSOQF-HNNXBMFYSA-N 448.508 4.441 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 470139789 FROSLNXPXLMRDE-CYBMUJFWSA-N 429.383 4.335 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N(Cc2cccc(Br)c2)CC2CC2)s1 473705638 KJEYCDJPIUBBPH-UHFFFAOYSA-N 445.360 4.239 5 20 IIBD Cc1c(NC(=O)CCN2CC[C@@]3(CCCN(Cc4ccccc4)C3)C2)cccc1[N+](=O)[O-] 477045924 FZZZDVWSZDGICX-VWLOTQADSA-N 436.556 4.220 5 20 IIBD Cc1c(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cccc1C(=O)N1CCCC1 477538304 DJSXZXPRLLOAKH-UHFFFAOYSA-N 430.892 4.157 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccccc1Br 478938867 WRGHPOKENKAPLC-UHFFFAOYSA-N 439.331 4.368 5 20 IIBD Cn1cc(C(=O)N[C@@H](CCc2ccccc2)C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 479651917 XEKXJGWSIJCVFJ-SFHVURJKSA-N 432.402 4.289 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2c(C)nn(-c3ccccc3)c2C)cc1SC 482018770 XKPZSAIUCGVQMI-UHFFFAOYSA-N 426.498 4.058 5 20 IIBD CCOC(=O)c1csc([C@@H]2CCCN2C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 482950535 PHIQQNFZHUNFGZ-LRDDRELGSA-N 435.527 4.072 5 20 IIBD COc1ccc(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC1CCCC1 485320505 YGAKSJDKHCJMQU-UHFFFAOYSA-N 436.468 4.041 5 20 IIBD COc1ccc([C@H](NC(=O)c2sc(Br)cc2[N+](=O)[O-])C(F)(F)F)cc1 486115510 LWWZRWHCJKKTDX-LBPRGKRZSA-N 439.209 4.461 5 20 IIBD O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCC(c2noc(C3CC3)n2)CC1 486148763 KUVMWKLGJAJIEL-UHFFFAOYSA-N 448.479 4.454 5 20 IIBD COc1cc(NC(C)=O)ccc1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 486301271 UCSZWQAKOFHTNO-UHFFFAOYSA-N 435.436 4.393 5 20 IIBD Cc1ccc(-n2ncc(NC(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)c2C(C)C)cc1 489091862 ONERDDUELCVCCW-UHFFFAOYSA-N 437.504 4.278 5 20 IIBD CCn1c(S[C@H](C(=O)N2CCCC[C@@H]2C)C(C)C)nnc1-c1ccc([N+](=O)[O-])cc1 489410925 VEBJAPLRJRSOCV-YJBOKZPZSA-N 431.562 4.391 5 20 IIBD C[C@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)c1ccc(OC(F)F)cc1 492350154 IKLBTPPHEFCRJN-ZDUSSCGKSA-N 441.456 4.154 5 20 IIBD O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1 492889641 KTGCIMGQEVJSMQ-GOSISDBHSA-N 435.267 4.035 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cc4c(cc3F)CCC(=O)N4)cc2[N+](=O)[O-])C1 497422350 NATJXCLBBOCTIR-OKILXGFUSA-N 440.475 4.353 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ccc(F)cc1OCCC(F)(F)F 500199807 QZVMVMUISHBGIJ-UHFFFAOYSA-N 444.337 4.018 5 20 IIBD O=[N+]([O-])c1cncc(Br)c1N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 500270808 HCOJMPWIQRVLGA-FQEVSTJZSA-N 431.334 4.245 5 20 IIBD Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 501661999 CUDZLSDVPHNCMV-UHFFFAOYSA-N 447.557 4.482 5 20 IIBD CCCc1ccc([C@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)c2cccs2)cc1 503233206 PABTVCIUGSALNN-QFIPXVFZSA-N 437.521 4.244 5 20 IIBD CCOc1cc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)ccc1OCC(C)C 509772412 KQDVOWDQIXMVNV-UHFFFAOYSA-N 447.557 4.048 5 20 IIBD CCOc1cc(Br)c(NC(=O)NCc2ccccc2[N+](=O)[O-])cc1OCC 510536922 GVIZMTPVNZIWAV-UHFFFAOYSA-N 438.278 4.476 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)N2CCCCC[C@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] 513476488 RNEXBQVBKZPKFS-KRWDZBQOSA-N 436.917 4.409 5 20 IIBD CCN1CCN([C@@H]2CCN(Cc3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)C2)CC1 513483820 GGGMAAGOCDCJHB-OAQYLSRUSA-N 440.613 4.266 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)N3CCSCC3)cc2C)c1 513722042 FGTHMFXAMKFTIR-UHFFFAOYSA-N 431.539 4.066 5 20 IIBD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(Sc3ccc(C)cc3[N+](=O)[O-])o2)c1 514179878 MCHRPODVXFLVKU-UHFFFAOYSA-N 448.526 4.135 5 20 IIBD CCOc1cc(NC(=O)c2ccc(NC(C)=O)c(SC)c2)c([N+](=O)[O-])cc1OCC 514463247 WFYDUPPLNFIBJM-UHFFFAOYSA-N 433.486 4.325 5 20 IIBD CCOc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)o1 514693153 YCQNXLPDFSDXJB-ZDUSSCGKSA-N 428.470 4.471 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 514905523 LPAVSYFQPFNQSC-UHFFFAOYSA-N 439.493 4.371 5 20 IIBD O=C(CSc1nnc(-c2ccc3ccccc3c2)o1)N1CCc2ccc([N+](=O)[O-])cc21 515648557 DOIUXYZFEZZPSC-UHFFFAOYSA-N 432.461 4.479 5 20 IIBD COCCNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1Cl 515677801 ZCOWEIVGDRSVAO-UHFFFAOYSA-N 433.892 4.174 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3nnc(-c4ccsc4)s3)cc2)c(C)c1[N+](=O)[O-] 515873351 OAPXXOJAYLXEIV-UHFFFAOYSA-N 440.510 4.289 5 20 IIBD O=C(Nc1ccccc1)Nc1cccc2c1CCN(C(=O)COc1cccc([N+](=O)[O-])c1)C2 517604664 KAOMCFBQCIASJN-UHFFFAOYSA-N 446.463 4.203 5 20 IIBD COc1cc(F)cc2sc(NC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)nc12 519054528 AYBZUBBYVBAFTH-UHFFFAOYSA-N 427.417 4.005 5 20 IIBD O=C(Nc1ccc(Oc2ccccc2)nc1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 521088108 GDBBXQSLCDJMSP-INIZCTEOSA-N 438.465 4.087 5 20 IIBD O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CC[C@@H](C(F)(F)F)[C@H](CO)C1 521848352 XFBXPBSAWPQGRB-DZGCQCFKSA-N 440.443 4.379 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1OCC(F)(F)F 523672562 PDQBLUXQRHCKOZ-UHFFFAOYSA-N 433.770 4.390 5 20 IIBD CC(C)n1c(C(F)(F)F)nc2cc(C(=O)NCCNc3ccc([N+](=O)[O-])cc3)ccc21 523710746 YCHDHUBKRXJBJK-UHFFFAOYSA-N 435.406 4.386 5 20 IIBD COc1ccc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c(C)c1 524166928 CBJWDNRFTOBRPL-UHFFFAOYSA-N 438.406 4.285 5 20 IIBD CC(C)C[C@@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccc(Cl)cc1 524785144 TURAWMKGWRKUCX-LJQANCHMSA-N 431.924 4.262 5 20 IIBD COc1cc(C(=O)Nc2cc(-c3ccoc3)nn2-c2ccccc2)cc([N+](=O)[O-])c1OC 525542821 IMZQXVAYZAWAKH-UHFFFAOYSA-N 434.408 4.310 5 20 IIBD COc1cc(C(=O)Nc2c(N3CCCC3)cccc2N2CCCC2)cc([N+](=O)[O-])c1OC 525546938 AOOPWUUMRQVWGI-UHFFFAOYSA-N 440.500 4.065 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 527265282 WYCSSZLQSCQBBJ-GJZGRUSLSA-N 430.530 4.356 5 20 IIBD COc1cccc(C[C@@H]2CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1 531501903 LKHWMRSNMCXFPT-INIZCTEOSA-N 433.302 4.142 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCN(Cc4ccsc4)CC3)cc2[N+](=O)[O-])C1 534522472 YTDTZMIVNIFGNF-ROUUACIJSA-N 442.585 4.097 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3cc(Cl)ccc3s2)c(Br)c1 534905987 JPHCPLVCJFYUQR-UHFFFAOYSA-N 448.707 4.421 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)c1cccc(C)c1 535672482 VFJGNYZZOZYULO-UHFFFAOYSA-N 430.526 4.266 5 20 IIBD O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CCc2c(Cl)cccc21 536564255 IGPWENADPNOJNI-UHFFFAOYSA-N 428.613 4.056 5 20 IIBD Cn1cc(C(=O)N[C@@H]2CCCOc3cc(Cl)ccc32)c(-c2ccc([N+](=O)[O-])cc2)n1 537274238 QQVQADXYQJXNGE-GOSISDBHSA-N 426.860 4.292 5 20 IIBD COCCn1ccc2ccc(NC(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)cc21 537761792 CNUNRNQKFGYOLV-UHFFFAOYSA-N 447.495 4.310 5 20 IIBD COc1ccc2c(c1)C[C@@H](C)N(C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]2C 541022728 DLUFLLJZIWKLQS-HUUCEWRRSA-N 430.526 4.380 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ncn(Cc2ccc(Cl)cc2)n1 542191398 QUWZKHZHLTWAGX-UHFFFAOYSA-N 438.296 4.272 5 20 IIBD CCn1c(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)nc2cc(F)ccc21 542228796 URJMGEJYJFKSAI-UHFFFAOYSA-N 436.447 4.217 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(Sc2nnc(-c3ccc4ccccc4c3)o2)s1 543030957 RSTTZQRAOVOYPJ-UHFFFAOYSA-N 433.492 4.414 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F 543639076 BIJAHRZZUAVEIL-HWPZZCPQSA-N 426.242 4.394 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N[C@H](CCO)c2ccccc2Br)c1Br 544393683 HDSOREQSKUQIQH-GFCCVEGCSA-N 445.111 4.359 5 20 IIBD Cn1cc(C(C)(C)N[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cn1 545293576 YLCIDXOBWAZYOC-LJQANCHMSA-N 427.892 4.186 5 20 IIBD Cc1cc(Cc2noc(-c3ccc(OCC(F)(F)C(F)F)nc3)n2)ccc1[N+](=O)[O-] 545852703 JAZMKJBQFGKQIT-UHFFFAOYSA-N 426.326 4.218 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)CC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 548927739 MIWMBLJOGPZYPK-JOCHJYFZSA-N 427.501 4.176 5 20 IIBD Cn1ncc([N+](=O)[O-])c1C(=O)Nc1nc(-c2ccc(OCc3ccccc3)cc2)cs1 554337684 RMPUWINXPLHMNP-UHFFFAOYSA-N 435.465 4.283 5 20 IIBD CN(CC1(c2ccccc2)CC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 555517923 FESHWHCONKZSFR-GOSISDBHSA-N 433.512 4.058 5 20 IIBD COc1cc(CNCc2ncn(-c3ccccc3)n2)c([N+](=O)[O-])cc1OCc1ccccc1 555643973 PXQAZWAQMXUZBG-UHFFFAOYSA-N 445.479 4.053 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](CN2CCCC[C@H]2C)C1 555886319 OHZSACPCEVVZIH-GDBMZVCRSA-N 438.366 4.392 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2cccs2)ns1 556421015 LYWZPEBQUFAZRS-UHFFFAOYSA-N 425.289 4.498 5 20 IIBD COc1ccc(Cc2nc(-c3ccc(NC(C)=O)c(C(F)(F)F)c3)no2)cc1[N+](=O)[O-] 558594057 PAEHFAWMVUBTTI-UHFFFAOYSA-N 436.346 4.221 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NCc1cccc(-n2ccnc2)c1 562885699 BGAWNNMRQHYQIZ-UHFFFAOYSA-N 449.492 4.193 5 20 IIBD COc1cc(Cc2noc(-c3ccc4nc(C(F)F)[nH]c4c3)n2)c([N+](=O)[O-])c(OC)c1 566835760 AWJOWXBDQVQUEM-UHFFFAOYSA-N 431.355 4.067 5 20 IIBD O=C(N[C@H]1c2ccccc2CC12CCOCC2)c1cc(Br)cc([N+](=O)[O-])c1 572054277 CWQLCKIMNCEGJF-SFHVURJKSA-N 431.286 4.181 5 20 IIBD O=C(c1ccc(-c2ccc(C(F)(F)F)cc2)o1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 575241082 XLHWQVUOLAWMGC-UHFFFAOYSA-N 446.385 4.231 5 20 IIBD CCc1c(NCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cnn1-c1ccc(Cl)cc1 583852169 WDIGXVAHUJXXLE-UHFFFAOYSA-N 429.864 4.056 5 20 IIBD COc1ccc(C(C)(C)CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1OC 591993329 LWBWDDXEPGBJCM-UHFFFAOYSA-N 444.531 4.266 5 20 IIBD COc1ccccc1-c1nc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n[nH]1 603879425 UNZYWULDTDYRAJ-UHFFFAOYSA-N 444.451 4.253 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1ccc(-c2nc3ccccc3s2)o1 604023640 PCZUBYGMBHQPPK-UHFFFAOYSA-N 429.479 4.251 5 20 IIBD CCN(CCNC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1)C(C)C 608838779 LDLIKPWHWVSXGP-UHFFFAOYSA-N 429.542 4.008 5 20 IIBD COc1cccc(CC(=O)N2CCc3ccc(NC(=O)c4cccc(C)c4[N+](=O)[O-])cc32)c1 608944768 BGBYRLABYLAPKG-UHFFFAOYSA-N 445.475 4.296 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(F)cc2C(F)(F)F)cc1OC 609065379 XWFMELYCLDKZCD-UHFFFAOYSA-N 432.326 4.039 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3ccc4c(c3)oc(=O)n4C)cc2[N+](=O)[O-])n1 609107035 GWMWZNSCPKZZCL-UHFFFAOYSA-N 442.478 4.208 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CS(=O)(=O)Cc1ccc(Br)cc1Cl 609224475 LEOCXRDGMMXNHW-UHFFFAOYSA-N 434.695 4.134 5 20 IIBD CCCn1c2ccccc2c2nnc(S[C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)nc21 609449946 HWOIGEABVYJGKM-GOSISDBHSA-N 448.508 4.195 5 20 IIBD COc1c(Br)cc(Cl)cc1NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 609469641 WNIGQONDDMVYMN-UHFFFAOYSA-N 444.669 4.220 5 20 IIBD COC(=O)c1ccc2c(O)nc(/C=C\c3csc(-c4cccc([N+](=O)[O-])c4)n3)nc2c1 609579510 VQINLYXUVQXLQI-VURMDHGXSA-N 434.433 4.324 5 20 IIBD O=[N+]([O-])c1ccc(Oc2ccc(CNC[C@@H]3CNc4ccnn4C3)cc2F)c(Cl)c1 609805074 OZIKQTTXWFYRFV-CQSZACIVSA-N 431.855 4.208 5 20 IIBD C[C@H](Cn1cccn1)NC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 609810723 PNOVPFIIMCHTDP-CYBMUJFWSA-N 447.854 4.264 5 20 IIBD CC(C)(C(=O)Nc1cc(F)c(I)c(F)c1)c1ccc([N+](=O)[O-])cc1 610043674 SSLOBNKWWNFXLZ-UHFFFAOYSA-N 446.191 4.394 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC1CCN(Cc2ccc(F)cc2)CC1 610105304 QSRUBQLVKHAFHR-UHFFFAOYSA-N 428.508 4.020 5 20 IIBD CN1CCC[C@H](CN(C)[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 610161475 WGKCTDBCQNQVDH-KKSFZXQISA-N 430.936 4.202 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N1CC[C@@H]1c1cccc(F)c1 610282452 XGHPDMJHWCCEES-LJQANCHMSA-N 433.505 4.250 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccn(-c4ncccc4F)n3)cc2[N+](=O)[O-])C1 611163797 JUIBZVMRHCVQTK-HUUCEWRRSA-N 438.463 4.049 5 20 IIBD O=C(NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1cc([N+](=O)[O-])ccc1OC(F)F 611512289 MZMZVTOKDXSAPR-LBPRGKRZSA-N 425.819 4.106 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CNc2ccn(-c3ncccc3F)n2)cc1OC 611614814 GKMOVEPUBMEZPX-CQSZACIVSA-N 429.452 4.360 5 20 IIBD Cc1ccc(-c2noc([C@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1Br 612931928 ZBRDMHRHBWVMAF-NSHDSACASA-N 431.246 4.207 5 20 IIBD COc1ccc(CN(C)C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1OC 618694015 DRTKSXQIGYDWRL-UHFFFAOYSA-N 436.464 4.463 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOc2c(Br)cccc2C1 619420608 LMOBNEKPICXPIO-GFCCVEGCSA-N 437.315 4.259 5 20 IIBD C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 726184057 JDSKSXMUOUYWKO-ZDUSSCGKSA-N 448.882 4.065 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1occc1CN1c2ccccc2C[C@H]1C 728688604 QTHMLRRAGGBDDQ-MRXNPFEDSA-N 449.463 4.243 5 20 IIBD Cc1nn(Cc2ccc(C(=O)O[C@@H](C)COc3cccc(F)c3)cc2)c(C)c1[N+](=O)[O-] 731778338 IUHGXCLZUMLATJ-AWEZNQCLSA-N 427.432 4.220 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(N2CCC[C@@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 732982216 PKWJYBFJIXPVFK-GOSISDBHSA-N 439.484 4.245 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1cc(Cl)ccc1[N+](=O)[O-] 733392962 JKDPRRDZZLBHIG-OAHLLOKOSA-N 428.750 4.229 5 20 IIBD Cc1nc(-c2cccs2)sc1C(=O)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 735339768 JSRSAYQVBWITFA-UHFFFAOYSA-N 445.478 4.243 5 20 IIBD O=C(Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])s1 735638402 UYHYVHGHWJLHCU-UHFFFAOYSA-N 425.382 4.263 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cccc(-c3nc(C)cs3)c2)c([N+](=O)[O-])c1 740406922 DQVDTZSHEQRANA-CYBMUJFWSA-N 441.465 4.219 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@@H](C)Oc3ccc(SC)cc3)CC2)ccc1[N+](=O)[O-] 741123356 MHUVEKLVQBDPEM-OAHLLOKOSA-N 446.525 4.305 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1)c1cnn(C)c1 741954598 YYDDQSPDJGIXFI-UHFFFAOYSA-N 433.512 4.064 5 20 IIBD Cc1c(CSC(C)C)cccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 742032353 UBKYAKYNZTVHBK-UHFFFAOYSA-N 425.488 4.254 5 20 IIBD CCOC(=O)/C=C/c1ccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 743250275 DBUVOVDHPYAVRI-VMPITWQZSA-N 445.280 4.279 5 20 IIBD COCc1c(C(=O)OCCOc2ccc(OC)cc2[N+](=O)[O-])sc2cccc(F)c12 744588329 YVLUESZJMJBUIB-UHFFFAOYSA-N 435.429 4.339 5 20 IIBD O=C(CNc1ccccc1[N+](=O)[O-])OCc1ncc(-c2ccccc2Br)o1 744852464 PGDSPNBMGOXGIN-UHFFFAOYSA-N 432.230 4.168 5 20 IIBD C[C@@H](OC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 745743573 QSNKWWIJXKLVIW-ABKXIKBNSA-N 445.230 4.035 5 20 IIBD Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)OCc2ccc([N+](=O)[O-])cc2F)c1 746900278 JQXUCESUWXLBKJ-UHFFFAOYSA-N 430.461 4.075 5 20 IIBD C[C@H](Sc1nnc(NCC(F)(F)F)s1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 747062897 YAABYFBACQXDTN-LURJTMIESA-N 441.844 4.193 5 20 IIBD CCCCCCNC(=O)[C@H]1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 748249307 GFVBMBVEAIEOOI-KRWDZBQOSA-N 444.557 4.267 5 20 IIBD Cc1c(C(=O)NCc2ccc(CN3CCCCC3)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748705465 JGZPWQMJBQVPQT-UHFFFAOYSA-N 426.473 4.036 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N(CCO)Cc1cc(Br)ccc1F 749328615 WUFXSYFTIOFUCJ-UHFFFAOYSA-N 446.660 4.176 5 20 IIBD CC(C)Cn1c(SC[C@@H](O)c2cccc([N+](=O)[O-])c2)nc2ccc(Cl)cc2c1=O 749637556 BHAFIFMFSLXRKY-GOSISDBHSA-N 433.917 4.440 5 20 IIBD CC(C)n1c([C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])nc2ccccc21 751253340 WAFCBFPMFKEOAP-KRWDZBQOSA-N 432.477 4.190 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CCCCC[C@@H]1C[C@H](O)c1ccco1 752103626 TWNZFNPLEJWGLN-APWZRJJASA-N 439.468 4.010 5 20 IIBD O=C(NC1(c2cccc(F)c2)CCOCC1)c1cc(F)cc([N+](=O)[O-])c1Br 754975825 DXHIXIQMIBCBCK-UHFFFAOYSA-N 441.228 4.071 5 20 IIBD C[C@@H](C(=O)NS(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1F 755671964 SGPDXCCUWXQUEG-CQSZACIVSA-N 428.441 4.010 5 20 IIBD Cc1cccc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1Br 757815340 VOGVXCJWHUGUNW-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD CCCN1CCN(c2ccc(NC(=O)c3cc(F)cc(C)c3[N+](=O)[O-])cc2Cl)CC1 758442823 ZDQBGFDMOZGFSF-UHFFFAOYSA-N 434.899 4.480 5 20 IIBD O=c1c(Cl)c(NC2CCC(O)(c3ccccc3)CC2)cnn1-c1ccc([N+](=O)[O-])cc1 760596580 JCRVNCGWBOHCCA-UHFFFAOYSA-N 440.887 4.036 5 20 IIBD O=C(NC[C@H]1CCN(c2ccc(Cl)cc2)C1)c1cccc([N+](=O)[O-])c1Br 760808608 BKMIFVZEJBFIIB-GFCCVEGCSA-N 438.709 4.267 5 20 IIBD C[C@H](C(=O)OCC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 763408508 RYGSGSHEOXMWLH-NWDGAFQWSA-N 425.268 4.426 5 20 IIBD O=C(OCc1coc(-c2c(F)cccc2F)n1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 763869902 LLGWIUGHQBGKIL-UHFFFAOYSA-N 426.335 4.071 5 20 IIBD Cc1ccc(S(=O)(=O)Oc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)cc1[N+](=O)[O-] 767598504 RDRZUFUVLJVKKV-CQSZACIVSA-N 436.486 4.257 5 20 IIBD Cn1cc([C@H](O)C[C@@H]2CCCN2Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cn1 770389706 ZXQFBCSIWIXLSK-SIKLNZKXSA-N 440.475 4.348 5 20 IIBD COc1cc(CNc2cccc(N3CCOC3=O)c2)c([N+](=O)[O-])cc1OCC(F)(F)F 770492621 NIBLDSYURRGLMN-UHFFFAOYSA-N 441.362 4.113 5 20 IIBD COc1ccc(-c2nc(CC(=O)Nc3ccc(SC(F)F)cc3)no2)cc1[N+](=O)[O-] 770932472 QSFUDKZVFOXJEJ-UHFFFAOYSA-N 436.396 4.149 5 20 IIBD O=C(CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)NC[C@@H](O)C1CCOCC1 771609932 DBMRXBRCQQIKRS-XMMPIXPASA-N 429.516 4.451 5 20 IIBD C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 772308937 DQTGTIVDDKAZBR-AAEUAGOBSA-N 431.411 4.131 5 20 IIBD CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)OCc1ccc(Br)c([N+](=O)[O-])c1 773358449 BVJHDGHKHQCQPB-GOSISDBHSA-N 445.269 4.365 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1OC[C@@H](O)c1ccc(F)c(Br)c1 774646322 NPNBVNQCNMDDAG-CYBMUJFWSA-N 435.043 4.371 5 20 IIBD CSc1cccc(NC(=O)c2ccc(I)c([N+](=O)[O-])c2)c1C 775512356 VEKHPHFBOOWFTB-UHFFFAOYSA-N 428.251 4.482 5 20 IIBD Cc1cc(C)c(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c(Cl)c1 778893109 SJGLFKYMAJQVDV-UHFFFAOYSA-N 428.775 4.262 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1 780283528 RUZWABRQEMTJNS-ZDUSSCGKSA-N 445.497 4.239 5 20 IIBD O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1Br 782170838 ZLBUJORMXABKDY-CYBMUJFWSA-N 434.073 4.128 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 783306199 UDAHXJDHTLESDU-AWEZNQCLSA-N 426.860 4.074 5 20 IIBD CCN(c1ccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1)C(C)C 783357939 VEONIBSNHUKQJQ-UHFFFAOYSA-N 436.415 4.008 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(COc3cc(F)c(Br)cc3[N+](=O)[O-])o2)cc1 790295062 BNRKQBQAXAUGBY-UHFFFAOYSA-N 439.153 4.034 5 20 IIBD O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)Nc1ccc(Br)c([N+](=O)[O-])c1 791842454 LIXDHLXPYIJTNB-HNNXBMFYSA-N 433.306 4.001 5 20 IIBD CC(C)(C)OC(=O)NC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)C(C)(C)C 798809104 LGHOWRCAYOABOV-ZDUSSCGKSA-N 444.326 4.027 5 20 IIBD CC(C)(C)Sc1ccc(-c2noc(-c3cc([N+](=O)[O-])ccc3N3CCOCC3)n2)cn1 809441170 YYCPFCMKFZJVBJ-UHFFFAOYSA-N 441.513 4.434 5 20 IIBD C[C@H](OC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(=O)N[C@H]1CCOc2ccccc21 811374701 MEVCMPQHGFVXLQ-BONVTDFDSA-N 439.251 4.087 5 20 IIBD CC1(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCN(C(=O)OC(C)(C)C)CC1 813199782 WOMHGDPWKXNGCN-UHFFFAOYSA-N 432.304 4.421 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])ncc1Br)[C@H]1C[C@H](Oc2ccccc2)C1(C)C 813643849 CKTQXEAWVVKERT-HOTGVXAUSA-N 434.290 4.070 5 20 IIBD Cc1cc(Cl)c(C(=O)O[C@H](C(=O)N2CCc3sccc3C2)C(C)C)cc1[N+](=O)[O-] 815406718 RYAXTKBWXNBPFQ-SFHVURJKSA-N 436.917 4.384 5 20 IIBD Cc1ccc([C@H](OC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c2cncn2C)cn1 816317599 VUUKZKJTCNJVLF-QHCPKHFHSA-N 449.511 4.214 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2cccc(Br)c2[N+](=O)[O-])C1 820676756 RMBIMSSJQOIAAT-OLZOCXBDSA-N 428.327 4.487 5 20 IIBD O=C(COC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] 913251680 AQXWWHBSHRVWTK-QFIPXVFZSA-N 444.447 4.084 5 20 IIBD Cc1[nH]c2ccccc2c1CC(=O)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C 914463503 ICXCRSUAJCTJBL-UHFFFAOYSA-N 433.468 4.414 5 20 IIBD O=C(Nc1ccc(C(=O)Nc2nccs2)cc1)c1ccc(Br)c([N+](=O)[O-])c1 915149338 DVDLYAQBFXBNJQ-UHFFFAOYSA-N 447.270 4.318 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OCc2nc(CC(C)C)no2)cc1 915249259 HDYHBYWICMRHDR-UHFFFAOYSA-N 427.413 4.334 5 20 IIBD C[C@@H]1CN(c2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2F)C[C@@H](C)O1 916413332 ROKFEFISMAMBCA-HZPDHXFCSA-N 442.491 4.200 5 20 IIBD O=C(NCCOc1cccc(C(F)(F)F)c1)c1ccc(Br)c([N+](=O)[O-])c1 916470043 QCEWRTLCASLSFR-UHFFFAOYSA-N 433.180 4.185 5 20 IIBD O=C(Oc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 918555105 HQPNMDJWZKQXMR-VIFPVBQESA-N 446.740 4.365 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)OCC(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)cc1[N+](=O)[O-] 919224526 DXQSTCHTTBNXSI-HNNXBMFYSA-N 443.456 4.044 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)N(Cn1nc(-c3cccnc3)n(Cc3ccccc3)c1=S)CC2 919946895 BUGULWNXZLQKOP-UHFFFAOYSA-N 444.520 4.453 5 20 IIBD Cc1ccc(CN(C(=O)COC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C2CC2)cc1 920778247 LOYZEYMSSIGOOX-HNNXBMFYSA-N 446.887 4.058 5 20 IIBD COc1ccc(C2=NN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)[C@@H](c3ccco3)C2)cc1 921268729 ZLWLZYBPSOBSAH-HXUWFJFHSA-N 439.399 4.092 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1)c1ccccc1 921274493 NGYCSSZWUXBWLA-UHFFFAOYSA-N 428.404 4.252 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)c1nnc(COc2ccc(C(C)(C)C)cc2)o1 1322367588 KQGDUJPOTYXXBD-MRXNPFEDSA-N 428.493 4.459 5 20 IIBD COC(=O)[C@H](OC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccccc1Cl 1322970770 YDUPCOOSVORRKC-OAHLLOKOSA-N 447.749 4.260 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@@H]3Cc4ccc(C)cc4S3)CC2)ccc1[N+](=O)[O-] 1343346740 DXJQYKJRADABGT-NRFANRHFSA-N 428.510 4.141 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1)c1ccc2ncoc2c1 1789075842 XLFMXJMJNXVHKP-UHFFFAOYSA-N 446.419 4.391 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)NC1(c2ccc(NC(=O)c3cccc(F)n3)cc2)CCC1 1789735926 ZOLNZUDQGUDVGN-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD COC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3c(F)ccc([N+](=O)[O-])c3C)cc2)CCC1 1790771149 SJCLXVZWWUGVDT-AWEZNQCLSA-N 443.475 4.073 5 20 IIBD Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4n[nH]cc4[N+](=O)[O-])CCC3)cc2)cc1 1791341822 STXCZOJKCOYOKU-UHFFFAOYSA-N 447.495 4.007 5 20 IIBD O=C(Cc1cc(F)ccc1[N+](=O)[O-])Nc1ccc(C2(NC(=O)C3CCC3)CCC2)cc1 1792311077 TWIHWEYTXYYPBH-UHFFFAOYSA-N 425.460 4.211 5 20 IIBD Cc1c(F)cccc1C(=O)N1CCCC12CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1C)C2 1841163156 OHYVXBYMRNCWLP-UHFFFAOYSA-N 445.878 4.135 5 20 IIBD Cc1ccsc1C(=O)N1CC2(CCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)C1 1845498992 RILUDPRJXYLHMQ-UHFFFAOYSA-N 433.917 4.057 5 20 IIBD Cn1c(SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 9532821 IIXYLENSZWHJAN-UHFFFAOYSA-N 438.296 4.428 5 20 IIBD Cc1cc(OCC(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1Cl 11198057 JLMWYMPJWOADCV-UHFFFAOYSA-N 446.765 4.136 5 20 IIBD CCCOc1c(Cl)cc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1OCC 15381923 DSAJKDLUQPCRON-UHFFFAOYSA-N 447.919 4.398 5 20 IIBD Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)c1 15408359 XJNHXPKJXYVJPJ-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD Cc1c(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cccc1[N+](=O)[O-] 15968072 CSUJHTBUGGABFO-UHFFFAOYSA-N 429.782 4.286 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1ccc(N2CCCCC2)cc1 22044591 WPWDTNQWDPVLDL-CQSZACIVSA-N 431.876 4.423 5 20 IIBD C[C@H](OC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 22471737 PWQSTEXIYYHLKD-AWEZNQCLSA-N 426.425 4.210 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c(F)cc1F 22889293 LLDNTKPJLMNVRS-UHFFFAOYSA-N 433.411 4.148 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(I)c1 23110008 RTXPXJWMRNBFGC-JTQLQIEISA-N 428.251 4.319 5 20 IIBD C[C@H](Nc1ccc(Br)cc1[N+](=O)[O-])c1ccc(OCC(=O)NC2CC2)cc1 97476660 FOIUWCQCQYGLHF-LBPRGKRZSA-N 434.290 4.188 5 20 IIBD O=C(Nc1ccc(I)cc1)c1cccc([N+](=O)[O-])c1Br 159043409 BENSXLNSIFREKY-UHFFFAOYSA-N 447.026 4.214 5 20 IIBD Cn1cc(CNCCCC(=O)Nc2ccc(Cl)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 237911142 FMBINMIDXJWORG-UHFFFAOYSA-N 427.892 4.157 5 20 IIBD O=c1c(Cl)c(NC[C@@H](c2cccs2)N2CCCC2)cnn1-c1ccc([N+](=O)[O-])cc1 301494607 ADASHGSENYKKBZ-KRWDZBQOSA-N 445.932 4.105 5 20 IIBD C[C@H](Nc1ncc([N+](=O)[O-])cc1Br)c1cc(F)ccc1N1CCC(O)CC1 301544915 PCRMDXRTGKHWLD-NSHDSACASA-N 439.285 4.026 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](NCC[C@]1(O)C[C@H]2CC[C@H]1C2)c1ccccc1 427819158 QEYLEPDLUMLVAD-PAAHSZEMSA-N 443.931 4.459 5 20 IIBD Cc1ccccc1[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(C)(C)C 431355355 ABWTVLZOLJKXJA-KRWDZBQOSA-N 435.427 4.347 5 20 IIBD CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c(C)c1 431440352 HGCXXIQVWOTYHR-GFCCVEGCSA-N 434.290 4.446 5 20 IIBD O=C(NCc1ccc(OCc2ccccn2)cc1)c1cc(Br)cc([N+](=O)[O-])c1 431445898 OTKUWFNIVOOFMD-UHFFFAOYSA-N 442.269 4.261 5 20 IIBD CCN([C@@H](c1cccnc1)c1ccc(F)c(F)c1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 431920997 AGMVUGCVQYKKCZ-OAQYLSRUSA-N 447.463 4.209 5 20 IIBD Cc1ccc([C@@H](C)N2C(=O)[C@@H](c3cccc(Br)c3)N(C)C2=O)cc1[N+](=O)[O-] 431955412 VCOLDINMRRGWGD-SJKOYZFVSA-N 432.274 4.362 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CC2(CCC2)[C@H]1c1ccccc1 432281632 FZHRLBQKGKTNPN-QGZVFWFLSA-N 437.315 4.273 5 20 IIBD CC(C)(C(=O)N1CCCN(C(=O)Nc2cccc(Cl)c2)CC1)c1ccccc1[N+](=O)[O-] 433236806 YNHNPCAQJCUOHU-UHFFFAOYSA-N 444.919 4.292 5 20 IIBD COc1cc(OCC(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)ccc1[N+](=O)[O-] 436462145 CQAORHNWUBSPHD-MRXNPFEDSA-N 436.745 4.195 5 20 IIBD O=C(CN1CCc2ccc([N+](=O)[O-])cc2C1)N1CCc2sccc2[C@@H]1c1ccccc1 438529171 OVTUYCFCBNFVTM-DEOSSOPVSA-N 433.533 4.189 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(Sc2ccc(Cl)cc2)CC1 441419857 XXNXHTSDTXNQIP-UHFFFAOYSA-N 435.933 4.452 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F 443457557 ZAIWWIABSZEOJY-KRWDZBQOSA-N 427.404 4.275 5 20 IIBD Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 443905121 VNTCDTUKWWVRKV-KRWDZBQOSA-N 432.358 4.245 5 20 IIBD CCC[C@H](NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)C(=O)OC(C)(C)C 444329364 VVVBBXCIAVEPRK-KRWDZBQOSA-N 430.451 4.200 5 20 IIBD O=C(NCC(=O)N1C[C@@H](c2ccccc2)c2ccccc21)c1c(Cl)cccc1[N+](=O)[O-] 444407788 PQRFWUNCIRSWAO-KRWDZBQOSA-N 435.867 4.157 5 20 IIBD Cc1ccc(-n2nc(C)cc2NC(=O)Cc2noc(/C=C/c3ccccc3[N+](=O)[O-])n2)cc1 445504800 PZJWTKCBIPBXID-FMIVXFBMSA-N 444.451 4.132 5 20 IIBD CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)C(C)(C)c1ccc2c(c1)OCO2 446135466 FRNTYABNKUSSPW-UHFFFAOYSA-N 435.274 4.022 5 20 IIBD CN(Cc1cnn(-c2ccccc2)c1)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] 447694060 POFCARBLHLDYJP-UHFFFAOYSA-N 427.333 4.466 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1C[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 461446247 PICXDYKZSAQEQR-WOJBJXKFSA-N 448.548 4.312 5 20 IIBD CCOC(=O)c1cc(Br)ccc1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 462249499 WJCYKFALGISVQZ-UHFFFAOYSA-N 447.245 4.196 5 20 IIBD COc1cc(N2CCN(C(=O)c3ccc(OCc4ccccc4)cc3)CC2)ccc1[N+](=O)[O-] 462381705 XFULTLTWDVOJRE-UHFFFAOYSA-N 447.491 4.145 5 20 IIBD COCCCOC1CCN(c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])CC1 462854361 RVWUYTNOGNFQTH-UHFFFAOYSA-N 427.501 4.177 5 20 IIBD COc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)c1[N+](=O)[O-] 466624511 HQVRNNFRDKLMIB-UHFFFAOYSA-N 438.465 4.172 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 470364010 SUFNJISTOUSDNO-KRWDZBQOSA-N 447.875 4.101 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(c1cccc(CO)c1)C1Cc2ccccc2C1 470869323 AUJDUHVHFRVGEG-UHFFFAOYSA-N 431.492 4.008 5 20 IIBD Cc1cn([C@H](C)c2ccccc2)nc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 471569886 KIAONRNDNWBENE-OAHLLOKOSA-N 437.481 4.058 5 20 IIBD O=[N+]([O-])c1ccc2nc(CSc3n[nH]c(-c4ccccc4Br)n3)[nH]c2c1 473782565 BSEZRJQTXXKVKQ-UHFFFAOYSA-N 431.275 4.311 5 20 IIBD CCOC(=O)[C@H](NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C1CCOCC1 475135429 FCKQUDIPISCZAQ-OAQYLSRUSA-N 448.903 4.488 5 20 IIBD COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1cc(O)cc([N+](=O)[O-])c1)CCO2 476684765 ILRMNWIZAFFLGR-QFIPXVFZSA-N 434.448 4.475 5 20 IIBD C[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)cn1 477785712 CYHSUMSGNGAIEB-SNVBAGLBSA-N 428.670 4.052 5 20 IIBD COC(=O)c1cc(NCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])cc(Cl)c1F 479453811 NDQKWFJUFPVZPJ-UHFFFAOYSA-N 448.781 4.439 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)c1[N+](=O)[O-] 479601140 CUGWIXUCGFRSMW-UHFFFAOYSA-N 428.514 4.381 5 20 IIBD C[C@H](NC(=O)c1cc(C(=O)OC(C)(C)C)n(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 482994780 ZKJVKTGLMGCGOL-HNNXBMFYSA-N 436.468 4.227 5 20 IIBD Cc1cc(-c2noc([C@@H](C)N[C@@H](C)CC(=O)Nc3ccc([N+](=O)[O-])cc3)n2)ccc1F 483658232 JJCAKIRAKDUOSV-UONOGXRCSA-N 427.436 4.160 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H](C)c2cnn(C)c2C)cc1[N+](=O)[O-] 484253657 KBYQBTFEFBPCKQ-CYBMUJFWSA-N 438.509 4.081 5 20 IIBD COc1cc(C(=O)NC[C@H](c2ccccc2)C(F)(F)F)c([N+](=O)[O-])cc1OC(F)F 485615611 UQGDXYGMDATFJD-GFCCVEGCSA-N 434.317 4.281 5 20 IIBD Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c1C 485843773 KRNOQXCMUDIKMX-UHFFFAOYSA-N 436.859 4.489 5 20 IIBD CS(=O)(=O)c1cc(C(=O)N2CC3(CCCC3)c3cccc(Cl)c32)cc([N+](=O)[O-])c1 486404984 PTWXQRHFMNYDHD-UHFFFAOYSA-N 434.901 4.124 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2ccc(Br)cc21 487567572 VZJWWZKOINNWON-UHFFFAOYSA-N 437.315 4.299 5 20 IIBD CC(C)(NS(=O)(=O)Cc1ccc(Cl)cc1Br)c1ccccc1[N+](=O)[O-] 490461151 ZKELJPIOTGHRHR-UHFFFAOYSA-N 447.738 4.365 5 20 IIBD CCc1cccc2c(C3CCN(C(=O)[C@H](C)NC(=O)c4cccc([N+](=O)[O-])c4)CC3)c[nH]c12 490818475 JQCAQXHTUQDWLL-INIZCTEOSA-N 448.523 4.163 5 20 IIBD COc1cc(OC)c(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1Br 491038140 QTOMXQVHBRHKDP-UHFFFAOYSA-N 434.246 4.037 5 20 IIBD CO[C@@H](C)CN(C)C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 497825705 HCNNWDTXIUBMHE-LBPRGKRZSA-N 425.844 4.356 5 20 IIBD O=C(c1cnc2c(cnn2Cc2ccccc2)c1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 498140423 NQSQOSSPVNFFJL-QHCPKHFHSA-N 445.504 4.276 5 20 IIBD Cn1cnnc1Sc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1Cl 502089434 OGWPQXSDRRAWAL-UHFFFAOYSA-N 435.918 4.259 5 20 IIBD O=C(N[C@@H](COc1ccccc1)c1ccccc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 502406156 OGOXOWFLDZQOPJ-QHCPKHFHSA-N 428.448 4.331 5 20 IIBD O=C(Cc1ccc(Br)c(F)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 505357936 RCCKYWIPBIGBSI-UHFFFAOYSA-N 437.265 4.109 5 20 IIBD CCc1c(C(F)(F)F)noc1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 505940914 JZWBXSKWVBXEGX-UHFFFAOYSA-N 437.378 4.278 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2ncc(-c3ccccc3)s2)cc1[N+](=O)[O-] 507086772 OQQNHJJBCVINFW-UHFFFAOYSA-N 438.494 4.250 5 20 IIBD O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc(COc2ccc(Br)cc2)cc1 508933140 KWSAQRGOIIEMNG-UHFFFAOYSA-N 445.273 4.162 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)[C@@H](C)Cc1ccccc1C(F)(F)F 509762527 YXXHTPVYMUKUSE-ZDUSSCGKSA-N 437.418 4.259 5 20 IIBD O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 513591416 GBIIRERJXZDKRL-UHFFFAOYSA-N 426.778 4.401 5 20 IIBD COc1ccc(CSCC(=O)N[C@H](C)c2cccc(OC(F)F)c2)cc1[N+](=O)[O-] 514578433 LXCDFTXABCKODE-GFCCVEGCSA-N 426.441 4.315 5 20 IIBD CC(=O)NCCN(Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C1CCSCC1 515156464 SCQLUYMAGFKJPQ-UHFFFAOYSA-N 442.585 4.196 5 20 IIBD COc1ccc2[nH]cc(C3=CCN(S(=O)(=O)c4c(Cl)cccc4[N+](=O)[O-])CC3)c2c1 516784063 LNWNYARZWDHFLF-UHFFFAOYSA-N 447.900 4.216 5 20 IIBD CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 517539121 GMZWSYKXNHCLPT-UHFFFAOYSA-N 443.891 4.061 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](NCCOCC1CC1)c1ccccc1 518148396 UJGGVXYRBYHORV-IBGZPJMESA-N 448.317 4.053 5 20 IIBD CCN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@H](c1cccnc1)c1ccc(F)c(F)c1 520503528 WGSWQKGFUVVTPZ-QFIPXVFZSA-N 427.407 4.285 5 20 IIBD CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 522885864 XSCWFXQOEFCIRT-YCRPNKLZSA-N 431.920 4.357 5 20 IIBD O=C(Nc1ccc(OCC2CCCCC2)cc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 523315896 VTXLVYHCLINSMI-UHFFFAOYSA-N 439.516 4.303 5 20 IIBD CCOC(=O)c1cc(S(=O)(=O)N(C)Cc2cccc3ccccc23)cc([N+](=O)[O-])c1C 523873693 PWUCIARNOTVUID-UHFFFAOYSA-N 442.493 4.054 5 20 IIBD CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 525082682 YKAHILTYVOSJPR-LQAWEQHXSA-N 439.299 4.021 5 20 IIBD COc1cc(C(=O)N2CCC[C@@H]2c2ncc(-c3cccc(C)c3)[nH]2)cc([N+](=O)[O-])c1OC 525585740 MEOCHSQZXLBBJD-GOSISDBHSA-N 436.468 4.288 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])Nc1nccn1Cc1ccc(Br)cc1 531518755 HCZNXZNRQMHKHD-UHFFFAOYSA-N 445.273 4.010 5 20 IIBD Cc1c(Br)cccc1CS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 534144565 QYIZNNLZIMDXKG-UHFFFAOYSA-N 449.120 4.402 5 20 IIBD O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC2(CCN(Cc3ccccc3)C2)CC1 534956547 PSYUYXLYXMPWFE-UHFFFAOYSA-N 434.540 4.297 5 20 IIBD CC[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H](c1ccc(C)cc1)n1cncn1 535220436 OZNKSQMJKUUKJJ-MJGOQNOKSA-N 447.417 4.312 5 20 IIBD CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)OC)c1ccc(F)cc1F 535689713 KZEKGFNOCCTBIA-QGZVFWFLSA-N 438.452 4.409 5 20 IIBD COc1ccc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1-c1ccccn1 535854455 GXMQJXBSSJVRMB-UHFFFAOYSA-N 433.464 4.349 5 20 IIBD NS(=O)(=O)c1c(N[C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)cccc1[N+](=O)[O-] 536645575 OWAYCIDSUKKNAT-GXTWGEPZSA-N 429.420 4.009 5 20 IIBD CCO[C@H]1C[C@H](O)C12CCN(Cc1ccc(N(C)c3ccccc3)c([N+](=O)[O-])c1)CC2 536660733 PMDNJMLWZBONOU-GOTSBHOMSA-N 425.529 4.115 5 20 IIBD COc1ccc([C@@H](OC)[C@H](C)NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 536774664 ATGQOLUQWUZWFH-QLXKLKPCSA-N 430.504 4.056 5 20 IIBD CC[C@@H](Sc1ccccc1)C(=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc12 538063194 SGYJMJCWZLKZMR-LJQANCHMSA-N 425.514 4.027 5 20 IIBD Cc1ccc([C@@H](C)NCC(=O)Nc2ccnn2Cc2ccccc2Cl)cc1[N+](=O)[O-] 538277565 VBTQNWFLEPMTTF-OAHLLOKOSA-N 427.892 4.091 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 541131399 GYVYVRGRQWBHQV-GXTWGEPZSA-N 428.436 4.154 5 20 IIBD C[C@H]1C[C@@H](CCNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CCO1 541345895 KZYQHQGDNWHBSZ-RYUDHWBXSA-N 427.288 4.022 5 20 IIBD COc1ccc(NC(=O)c2ccc(OCc3cn4cccc(C)c4n3)cc2)cc1[N+](=O)[O-] 542000949 ZNEGBOYNWLCRDK-UHFFFAOYSA-N 432.436 4.391 5 20 IIBD C[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1F 542569947 SXOWLQWPUDEIID-CQSZACIVSA-N 443.456 4.277 5 20 IIBD Cc1cnc([C@H](C)CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)s1 542570910 URUGVCQPAFDFMI-HIFRSBDPSA-N 425.514 4.461 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 542992267 KZMNUKVNHLAAQV-LJQANCHMSA-N 446.385 4.013 5 20 IIBD C[C@H]1C[C@H](CCNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 543203327 QMRXAZJQAMCHNZ-RBUKOAKNSA-N 448.523 4.311 5 20 IIBD CCc1ccc([C@H](NC[C@@H](c2ccc(C)o2)N2CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 543406592 JUJLBDBXYJDPSJ-XUZZJYLKSA-N 439.512 4.404 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N(Cc2cc(Br)ccc2F)C2CC2)s1 543947586 IJIQHZZBNQEXNL-UHFFFAOYSA-N 449.323 4.130 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 545366056 GTQGNOSQKRUXRH-SJORKVTESA-N 428.432 4.369 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CC[C@@H](C4CCOCC4)C3)n2CCc2ccccc2)c1 549119251 ZPUXHSCEOSLSMB-JOCHJYFZSA-N 447.539 4.349 5 20 IIBD Cc1cc(NCc2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)c2cccc([N+](=O)[O-])c2n1 553225387 QPRJZWWRWJZPAQ-DEOSSOPVSA-N 445.479 4.288 5 20 IIBD CCc1ccc([C@H]2CCCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)C2)cc1 553589346 JKDXULVHSVSYAC-OALUTQOASA-N 441.553 4.230 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 554407390 HSBSQDFVOLDLDD-JOCHJYFZSA-N 446.454 4.326 5 20 IIBD CC[C@@H](C)c1nnc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1Cc1cccs1 555434904 ACPOOWZVEORTBC-MRXNPFEDSA-N 426.546 4.136 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 555843043 XGEHEKQVQPGFIH-UHFFFAOYSA-N 434.290 4.446 5 20 IIBD O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCC[C@H]1[C@H]1CCCO1 557167803 DIBPTABSRMHTQX-PKOBYXMFSA-N 441.450 4.000 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCSc1nnc(-c2ccc(Cl)s2)o1 562212861 RKHNRACNSSKURK-UHFFFAOYSA-N 440.890 4.489 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CN2CCC(OC3CCCC3)CC2)c1 564384476 RQRXLSLLLQANCE-UHFFFAOYSA-N 430.286 4.123 5 20 IIBD O=C(Cc1noc(-c2cc([N+](=O)[O-])ccc2C(F)(F)F)n1)Nc1ccccc1Cl 574657429 NPWNKKJGBVWFMX-UHFFFAOYSA-N 426.738 4.498 5 20 IIBD COC(=O)c1cc(NC(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)c(C)c([N+](=O)[O-])c1 580686197 LPGGZVVLDMRWTP-UHFFFAOYSA-N 443.847 4.232 5 20 IIBD O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 590532350 RLMHXWQYOASCJS-UHFFFAOYSA-N 438.914 4.057 5 20 IIBD COc1cc([C@H](C)NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)ccc1OCCC(C)C 603814490 DMPUUCOSKQDMBZ-AWEZNQCLSA-N 430.457 4.248 5 20 IIBD C[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccc(OCc2ccccn2)c1 604040067 FETOOHYZFPBQPT-AWEZNQCLSA-N 447.900 4.262 5 20 IIBD CC(C)(C)n1ncc(NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1=O 604512052 PCRMOQXHXFOHAV-UHFFFAOYSA-N 433.818 4.103 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@H](C)c2ccccc2C(F)(F)F)ccc1[N+](=O)[O-] 608806552 PTQPZMHADOVWMW-KUHUBIRLSA-N 449.429 4.404 5 20 IIBD CN(C(=O)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H](c1ccccc1)c1ccc(F)cc1 608869672 BZKVIOIKZLVJKC-QHCPKHFHSA-N 445.454 4.240 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(CN(C)Cc2ccccc2)CC1 608964592 UVMBVCNKOLGZSK-SFHVURJKSA-N 427.570 4.446 5 20 IIBD C[C@H](c1cccnc1)N(C)C(=O)c1ccc(C(=O)N(C)[C@H](C)c2cccnc2)c([N+](=O)[O-])c1 609044186 JGTOOJQCAHIEOY-IAGOWNOFSA-N 447.495 4.051 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(c2nc(-c3ccccc3)no2)CC1 609146173 JCGWAVMLZIUUNU-UHFFFAOYSA-N 435.484 4.161 5 20 IIBD COc1cc(F)cc2sc(NC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])nc12 609724244 MGRVTTNYCYRPTP-UHFFFAOYSA-N 425.825 4.413 5 20 IIBD Cc1cccc([C@@H](CC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)NC(N)=O)c1 609755674 OMJQTSPQXJQHFJ-OAQYLSRUSA-N 434.452 4.434 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1Br)NCCc1cccc(Cl)c1Cl 609962462 DIDHYIRRXBGWQN-UHFFFAOYSA-N 448.100 4.402 5 20 IIBD Cc1ccc(NCCCNC(=O)CCSc2ccc3c(c2)OCCCO3)c([N+](=O)[O-])c1 610157897 COEFNZQZVCOGDQ-UHFFFAOYSA-N 445.541 4.165 5 20 IIBD O=C(NCc1n[nH]cc1Br)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611203643 FHXPSJKUIZAGJH-UHFFFAOYSA-N 425.308 4.045 5 20 IIBD O=C(NCc1c(C(=O)O)sc2ccccc12)c1ccc(Br)cc1[N+](=O)[O-] 611463636 FHGXGPIZZCHTJP-UHFFFAOYSA-N 435.255 4.200 5 20 IIBD O=C(Nc1ccc(OS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1)c1ccccc1 725816426 CESBIPPJUOFJRA-UHFFFAOYSA-N 432.841 4.268 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OCc1nnc(-c2c(Cl)cccc2Cl)o1 726634440 DSVWXUNUHAYADH-UHFFFAOYSA-N 437.239 4.375 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(COc3ccccc3)cs2)c(Cl)c1 727244511 RFTCDYNPJASJDY-UHFFFAOYSA-N 425.875 4.085 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 727710030 FAXLHBBZFOTTJV-MRXNPFEDSA-N 438.267 4.154 5 20 IIBD CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)OCc1c(F)cccc1[N+](=O)[O-] 728987897 MFJZWIFLSAMHES-PBVNKPPYSA-N 432.492 4.134 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Oc2ccc(-c3noc([C@@H]4CCCO4)n3)cc2)c1 729115090 YXOGQFTZEGSNQU-KRWDZBQOSA-N 427.438 4.437 5 20 IIBD C[C@H](NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)c1csc2ccccc12 730069290 WUKXBEFGTFUQAE-ZDUSSCGKSA-N 444.538 4.100 5 20 IIBD O=C(Nc1nnc(Cc2ccc(F)cc2)s1)c1cc([N+](=O)[O-])ccc1Br 730193822 BLLXOETUIOGDQH-UHFFFAOYSA-N 437.250 4.191 5 20 IIBD Cc1c(C(=O)N[C@H](C)c2ccc(F)c(Br)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 730981149 DKBAGCXLRDBIRZ-SECBINFHSA-N 426.198 4.204 5 20 IIBD CCc1ccc(-c2csc(NC(=O)COC(=O)c3cc([N+](=O)[O-])ccc3F)n2)cc1 732326002 RBZLLMDDEDDQEZ-UHFFFAOYSA-N 429.429 4.215 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])OCc1cc(=O)oc2cc3c(cc12)CCC3 735149505 HCOWGVVOEWKXCZ-UHFFFAOYSA-N 443.839 4.356 5 20 IIBD CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 735901862 VFRORFGYWZENJM-LJQANCHMSA-N 443.887 4.156 5 20 IIBD C[C@H](OC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1nc(C2CC2)no1 736862151 CLNGPIONSDZKEY-QMMMGPOBSA-N 438.227 4.266 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Br)c1cccnc1OCC(F)(F)F 739578971 RMDMVWNXXRVEDU-UHFFFAOYSA-N 435.152 4.050 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3cnc(C)nc3C(C)C)CC2)ccc1[N+](=O)[O-] 744201710 REPPSBWGIPELRA-UHFFFAOYSA-N 428.489 4.041 5 20 IIBD CC(C)n1cc(Br)cc1C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 745461014 OQIYFGORVNKKJO-UHFFFAOYSA-N 435.234 4.147 5 20 IIBD C[C@@H](C(=O)O[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(Br)s1 745636959 FTPFQRLIWZNAHL-RKDXNWHRSA-N 445.266 4.232 5 20 IIBD CCN(CC1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1)C(=O)OC(C)(C)C 745973649 GQBOERIDIGJSES-UHFFFAOYSA-N 448.520 4.025 5 20 IIBD O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 749945419 MYWCCLKWJVJTDZ-CYBMUJFWSA-N 430.823 4.457 5 20 IIBD CC(C)(C)OC(=O)N(CC1CC1)C1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 751048257 CCCXNAMXHXHTIW-UHFFFAOYSA-N 449.573 4.325 5 20 IIBD Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1cc([N+](=O)[O-])ccc1Br 751077756 ZIJHQYUIITWCMK-VQIMIIECSA-N 430.302 4.114 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 751385115 BDYKXQWUXVEHCD-UHFFFAOYSA-N 432.476 4.089 5 20 IIBD COc1ccc([C@H]2CCCN2S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc1OC 752232999 IJCRMKGJHHMHDS-OAHLLOKOSA-N 440.905 4.100 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)cc1NS(=O)(=O)c1cc(F)ccc1[N+](=O)[O-] 753956211 CEEPCUMKLRRAGZ-UHFFFAOYSA-N 425.438 4.190 5 20 IIBD CCc1cc(N2CCOC[C@@H]2C[C@@H](O)c2cccs2)nc(-c2ccc([N+](=O)[O-])cc2)n1 754026290 ZUEYHHSSLONPGG-RBUKOAKNSA-N 440.525 4.005 5 20 IIBD O=C(CCCc1csc2ccccc12)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 756250437 KXNYIYMMGABQKY-UHFFFAOYSA-N 438.914 4.291 5 20 IIBD C[C@@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C(=O)Nc1ccccc1Cl 756529124 SKHSGNBMXMCGPB-SNVBAGLBSA-N 441.665 4.124 5 20 IIBD COc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1Cl 758469576 GGHPIZLNRXRHSD-SECBINFHSA-N 442.649 4.448 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] 758835068 UGDTTXCDGBTOGY-LZLYRXPVSA-N 434.537 4.299 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 758845444 ISRODEUCWZRANK-KGLIPLIRSA-N 440.928 4.083 5 20 IIBD CCc1cccc[n+]1/C(C(=S)NC[C@H]1CCCCO1)=C(/O)c1ccc(C)c([N+](=O)[O-])c1 759061366 BUUAUVUDAKXAPQ-LJQANCHMSA-O 442.561 4.123 5 20 IIBD Cc1ccc(C(=O)Nc2ccccc2)cc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1F 760342684 IXDOSAJQROWBAM-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD CCCCS(=O)(=O)c1ccc(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 764836798 ZIKWBZQPRZQQAD-UHFFFAOYSA-N 444.465 4.181 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 765841585 RCCFIEFEYRPKTO-HKUYNNGSSA-N 447.557 4.206 5 20 IIBD COc1cc(C(=O)OCc2ccc(Oc3ccccc3)nn2)c([N+](=O)[O-])cc1OC(F)F 766075800 LUQLXRUEINRXAH-UHFFFAOYSA-N 447.350 4.144 5 20 IIBD Cc1cc(S(=O)(=O)Oc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)ccc1[N+](=O)[O-] 767600617 ZZVYWNQFWWWRNO-CQSZACIVSA-N 436.486 4.257 5 20 IIBD Cc1cc(Cl)ccc1Cc1cnc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)s1 768849796 PSAYWXASYOODSZ-UHFFFAOYSA-N 429.932 4.466 5 20 IIBD Cc1cccc(-c2nnc(S)n2CCC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 769377051 UVUVIFUPLIERIO-UHFFFAOYSA-N 437.525 4.032 5 20 IIBD CN(Cc1c(Br)cccc1[N+](=O)[O-])[C@H](CO)c1cccc(Br)c1 769528615 UGCOUPWVBBYGLN-MRXNPFEDSA-N 444.123 4.285 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)OCC(=O)N[C@H](c1ccccc1)c1nccs1 769882352 NRKNXJYMMSHBRW-LJQANCHMSA-N 439.493 4.039 5 20 IIBD C[C@H]1CC(=O)Oc2cc(OS(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])ccc21 770444443 CSIWBUBWDDUPGV-QMMMGPOBSA-N 432.237 4.082 5 20 IIBD C[C@@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)CN1C(=O)OC(C)(C)C 771748252 CDFREFIRTVOEDF-ZIAGYGMSSA-N 446.529 4.188 5 20 IIBD CCOc1ccc(NC(=O)[C@@H](C)OC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 773603800 JNWHCBRSJMXBQR-SECBINFHSA-N 443.275 4.002 5 20 IIBD CC(C)(C)OC(=O)c1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Br)c1 775805031 OFDGGJCNOIRBEN-UHFFFAOYSA-N 435.274 4.243 5 20 IIBD O=C(O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 776139379 UJPQQMQGWPMHKE-OAQYLSRUSA-N 445.391 4.030 5 20 IIBD C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F 777123128 NVQUXFUNZSNOEU-KPZWWZAWSA-N 445.825 4.005 5 20 IIBD C[C@@H](CC(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)C(=O)c1ccc(Cl)cc1 777315247 XARBFDASYDNAHP-HNNXBMFYSA-N 445.903 4.312 5 20 IIBD COc1cc(CNc2ccc(Br)nc2)c([N+](=O)[O-])cc1OCC(F)(F)F 777514659 BBACFMQUARNIQO-UHFFFAOYSA-N 436.184 4.314 5 20 IIBD CC(=O)c1ccc(OS(=O)(=O)Cc2ccc(Cl)cc2Br)c([N+](=O)[O-])c1 778639507 GTAKVLTUAICJLU-UHFFFAOYSA-N 448.678 4.122 5 20 IIBD CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 780851901 OHAQFLXKHAFRAO-JOCHJYFZSA-N 436.458 4.464 5 20 IIBD C[C@@H](OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)NCc1ccccc1Cl 781259470 DXOFNWUYHGPQLF-CQSZACIVSA-N 434.879 4.196 5 20 IIBD O=C(c1cc2ccccc2n1CC(F)(F)F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 781871137 OKJDDFQEAYDXPL-UHFFFAOYSA-N 432.402 4.074 5 20 IIBD COCCSCCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 783000639 JECBZRQJRULZGV-UHFFFAOYSA-N 444.962 4.213 5 20 IIBD CC(C)(C)OC(=O)NCc1ccc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)o1 785383868 AIJWDCOKBTVOMJ-UHFFFAOYSA-N 443.378 4.161 5 20 IIBD O=C(NCc1cccc(N2CCOC2=O)c1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 787049716 NPMZUTFOEKEEMF-UHFFFAOYSA-N 447.447 4.060 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1Oc1cc(Br)c(C=O)cc1OC 790264427 FJBFCCDUEBJLJR-UHFFFAOYSA-N 444.621 4.411 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c(Br)n1 790867004 OCSOQTAQLPEUHM-UHFFFAOYSA-N 429.068 4.384 5 20 IIBD Cc1c(Br)cc(N)cc1C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 792405458 WGBJRCURERBYMS-UHFFFAOYSA-N 432.230 4.260 5 20 IIBD C[C@H]1CN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 793698640 HSWPGTAFVUAHGX-LIRRHRJNSA-N 447.417 4.292 5 20 IIBD COc1c(C(=O)OCc2ccnc(-c3ccc(Br)cc3)n2)cccc1[N+](=O)[O-] 796310936 WXOKGAMDNTWGRC-UHFFFAOYSA-N 444.241 4.180 5 20 IIBD CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)OC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] 796444880 RXKBXOFBSFPWAQ-AWEZNQCLSA-N 438.436 4.392 5 20 IIBD COC(=O)c1ccc(OC(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)cc1[N+](=O)[O-] 797484870 DUYVUUWQDOYTKM-UHFFFAOYSA-N 436.207 4.093 5 20 IIBD CC(C)(C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccccc1Br 798729652 KVLVXBDIRKVQFV-UHFFFAOYSA-N 446.257 4.428 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CCOc2c(Br)cccc21 799440370 WKUVCTSXFNCUPF-UHFFFAOYSA-N 442.063 4.159 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1cc(F)c(F)cc1I 800143451 DDZYNPDEJHHFHM-UHFFFAOYSA-N 436.127 4.177 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NC[C@H](C)c1c(Cl)cccc1Cl 800602775 IXXYSQMUFOZVCW-VIFPVBQESA-N 428.247 4.208 5 20 IIBD CC(C)(C(=O)OCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1ccc([N+](=O)[O-])cc1 800980438 ZWRPDWLTBAUXSB-UHFFFAOYSA-N 445.415 4.038 5 20 IIBD CS(=O)(=O)c1cc(COC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cc(C(F)(F)F)c1 800981363 OHDMPRAGEOBRMN-UHFFFAOYSA-N 437.779 4.028 5 20 IIBD Cc1ccc(-c2nc(CC(=O)OCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cs2)cc1 809652827 MRUDZEBCCFJVCE-UHFFFAOYSA-N 436.449 4.363 5 20 IIBD O=C(OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1cc(O)nc2ccc([N+](=O)[O-])cc12 811085673 WUGPHVHOUUTSSF-UHFFFAOYSA-N 438.179 4.421 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)s1 811289740 VWLTZBODXIHYMT-UHFFFAOYSA-N 449.485 4.132 5 20 IIBD Cc1c(C(=O)Nc2ccccc2S(=O)(=O)C2CCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 813251023 QACDSLLFMSUZGN-UHFFFAOYSA-N 447.469 4.088 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCC(Oc2cncc(Cl)c2)CC1 820139582 HZCPCUZBAFYIRF-UHFFFAOYSA-N 444.919 4.317 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NCc2ccc(C)c([N+](=O)[O-])c2)c1 863988828 FWZABKBOQZKCQI-UHFFFAOYSA-N 435.546 4.333 5 20 IIBD CC(C)[C@H](OC(=O)CSc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc2ncccc12 877869489 DQZDGNWFKZDYHM-NRFANRHFSA-N 439.493 4.442 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@H]2c2nc(-c3ccccc3Cl)no2)cc1 904570167 YCULJEXGUATJHI-KRWDZBQOSA-N 448.888 4.214 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(c2nc(C3CCCCCC3)no2)CC1 904679191 PJDIRPUMDIIJHY-UHFFFAOYSA-N 448.545 4.292 5 20 IIBD COc1cc(C2=N/C(=C/c3ccc(C(C)C)c([N+](=O)[O-])c3)C(=O)O2)cc(OC)c1OC 912757642 BATFJDYHFAEITF-LZYBPNLTSA-N 426.425 4.089 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(C(=S)Nc3ccc(Oc4ccccc4)cc3)CC2)cn1 914702659 DTTZARDNNRXGQQ-UHFFFAOYSA-N 435.509 4.301 5 20 IIBD COc1ccc(CSCC(=O)OCC(=O)Nc2ccc3ccccc3c2)cc1[N+](=O)[O-] 914915528 CBRUEXYZTQYNHN-UHFFFAOYSA-N 440.477 4.172 5 20 IIBD O=C(COC(=O)c1csc([N+](=O)[O-])c1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 917283794 YKHTYYZMFVHKJM-IBGZPJMESA-N 430.869 4.372 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCC(n3cc(Br)cn3)CC2)c(Br)c1 1116650546 AGQIKYUTBHRZBO-UHFFFAOYSA-N 444.127 4.153 5 20 IIBD C[C@@H](Oc1ccccc1F)c1nnc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)o1 1257705862 OJHCINVQSYOZFI-YPMHNXCESA-N 432.433 4.296 5 20 IIBD CC1CCN(CCc2nnc(-c3ccc(N4C[C@@H](C)C[C@H](C)C4)c([N+](=O)[O-])c3)o2)CC1 1257896840 DUHKDEMZAKSTET-ROUUACIJSA-N 427.549 4.402 5 20 IIBD COc1cc(C(=O)N2CCC(C(=O)c3cccs3)CC2)c([N+](=O)[O-])cc1OC(F)F 1319007620 GDOXOCQFDOVCCG-UHFFFAOYSA-N 440.424 4.001 5 20 IIBD COc1ccc([N+](=O)[O-])cc1OC(=O)c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1 1321634737 XLMAZFAYAPJTOR-UHFFFAOYSA-N 430.420 4.434 5 20 IIBD Cc1nc(-c2ccc3c(c2)CCN3C(=O)CNC(C)(C)c2ccccc2[N+](=O)[O-])cs1 1324111493 DHCVYLCZDRJOEF-UHFFFAOYSA-N 436.537 4.441 5 20 IIBD CC(C)c1oc(-c2ccccc2)nc1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F 1324282313 LVOZIJPUCCFZTP-UHFFFAOYSA-N 427.388 4.308 5 20 IIBD CN(Cc1ccccc1C(F)(F)F)C(=O)c1cc(Br)cc([N+](=O)[O-])c1N 1327144829 HRSQTVFWAAALJN-UHFFFAOYSA-N 432.196 4.231 5 20 IIBD NC(=O)[C@H]1CCCN(c2ccc(C(=O)Oc3ccc(-c4ccccc4)cc3[N+](=O)[O-])cc2)C1 1516675519 MJYSUSBCHQJQGW-FQEVSTJZSA-N 445.475 4.183 5 20 IIBD Cn1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])cc4F)CCC3)cc2)c1 1787238227 LHHLVUWYLLNOLL-UHFFFAOYSA-N 436.443 4.134 5 20 IIBD CCOCC(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3C)CCC2)cc1 1787738894 OHOLALAWOIURKT-UHFFFAOYSA-N 445.903 4.341 5 20 IIBD C[C@@H]1C[C@@]1(C)C(=O)NC1(c2ccc(NC(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2)CCC1 1790827679 MLYGWLFCMZSOCA-QKFKETGDSA-N 447.495 4.265 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)cc2)CCC1)c1ccc([N+](=O)[O-])[nH]1 1791532020 CQDKPFPWFQZILG-VQTJNVASSA-N 444.491 4.474 5 20 IIBD CCCCC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1cc([N+](=O)[O-])ccc1F)C2 1801711435 DQSHCNDRNKHSAQ-OQIJWPOYSA-N 433.524 4.131 5 20 IIBD CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)n[nH]1 1821291123 PEDQMJSOOBNJJG-MRXNPFEDSA-N 433.896 4.386 5 20 IIBD CC(C)C1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)CCC1 1823617035 XPVJTPDATOFGFH-SFHVURJKSA-N 431.533 4.247 5 20 IIBD O=C([C@@H]1CC=CCC1)N1CCC([C@@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1823677336 VMWJMSMRMMQHHM-GGAORHGYSA-N 439.556 4.113 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC2(CCCN2C(=O)CCc2ccccc2)C1 1842644477 FRJZTIHURZGQPP-UHFFFAOYSA-N 449.532 4.259 5 20 IIBD COC(=O)c1cc(C(=O)OCc2cc(=O)oc3cc(C)c(C(C)C)cc23)cc([N+](=O)[O-])c1 3513570 PXJCYTPULIFSRX-UHFFFAOYSA-N 439.420 4.277 5 20 IIBD O=C(NCCc1nnc2ccccn12)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 10079930 RTTZODXHNQRSIZ-UHFFFAOYSA-N 437.843 4.056 5 20 IIBD CCN(CC)CCn1c(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)nc2ccccc21 10653049 ABHJWBHQJAGWAG-UHFFFAOYSA-N 436.516 4.113 5 20 IIBD Cc1nc2ccccc2c(C)c1CC(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 11196540 VUTCPXZEAJKLGA-UHFFFAOYSA-N 427.844 4.138 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CSc1nnc(CN2CCCCC2)n1-c1ccccc1 12135094 KYMGVLKJTKTQOS-UHFFFAOYSA-N 439.541 4.462 5 20 IIBD C[C@@H](OC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1cccc([N+](=O)[O-])c1 12257864 SWZLTZAWSIDQCU-CYBMUJFWSA-N 443.843 4.406 5 20 IIBD CCOC(=O)/C=C/c1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 14344192 IMBKPZXWEBLKGS-DTQAZKPQSA-N 426.472 4.370 5 20 IIBD COCc1c(C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)sc2cccc(F)c12 17937356 SUPZVIQVCAQLQF-UHFFFAOYSA-N 436.392 4.030 5 20 IIBD O=C(COC(=O)/C=C/Sc1ccccc1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 18803642 NYIPVMIMVQSQKV-CMDGGOBGSA-N 426.372 4.401 5 20 IIBD Cc1csc(Sc2ccc(C(=O)O[C@@H](C)C(=O)NCCC(C)C)cc2[N+](=O)[O-])n1 23968937 OLQHSLGRTRFKQJ-ZDUSSCGKSA-N 437.543 4.219 5 20 IIBD COc1cc(C(=O)Nc2cccc(-c3ccnc(C)n3)c2)c([N+](=O)[O-])cc1OC(F)F 31800952 SKLZNJCWMLYPRY-UHFFFAOYSA-N 430.367 4.223 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N(C)Cc3cscn3)c([N+](=O)[O-])c2)c(C)c1 63255307 OSVIWQAFOCHVTJ-UHFFFAOYSA-N 432.527 4.105 5 20 IIBD Cc1sc(NC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)nc1-c1cccc([N+](=O)[O-])c1 63304750 HELKWLLAVCKCDI-HNNXBMFYSA-N 430.530 4.250 5 20 IIBD Cc1ccc(-c2csc(NC(=O)c3cccn(Cc4ccccc4)c3=O)n2)cc1[N+](=O)[O-] 64782957 DRLXNGDWPDJCNE-UHFFFAOYSA-N 446.488 4.489 5 20 IIBD Cn1cc(C(=O)Nc2ccc(Sc3nccn3C)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 65056638 OWPHYDFJSHTHJX-UHFFFAOYSA-N 434.481 4.132 5 20 IIBD Cc1nnnn1-c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)ccc1F 110724137 CYBNIMOTDOXULR-UHFFFAOYSA-N 434.387 4.063 5 20 IIBD O=[N+]([O-])c1cc2c(O)ncnc2cc1NCc1cc(Br)ccc1OC(F)F 301087085 FDXTZUBEAKBCKQ-UHFFFAOYSA-N 441.188 4.220 5 20 IIBD O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 301353660 JTWNMELPTSFEFM-LLVKDONJSA-N 426.807 4.100 5 20 IIBD O=C(CSc1cc(Cl)ccc1Cl)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 303673026 DUUQGCPZZZGWMK-GFCCVEGCSA-N 427.313 4.102 5 20 IIBD CCOc1c(Br)cc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1OC 430529678 IWWZCFPSYDWTDQ-UHFFFAOYSA-N 437.290 4.430 5 20 IIBD Cn1cc(CN(Cc2ccc(Cl)cc2)C(=O)CCNc2ccccc2[N+](=O)[O-])cn1 431242317 LXKNZHACXLREKD-UHFFFAOYSA-N 427.892 4.013 5 20 IIBD COc1cc(C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)ccc1[N+](=O)[O-] 431890419 DQRSHCIMZZPRLR-UHFFFAOYSA-N 445.229 4.201 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccnn2-c2ccc(Cl)cc2)cc1[N+](=O)[O-] 437060478 DXVGGELTAWDUEI-UHFFFAOYSA-N 432.889 4.314 5 20 IIBD COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 437887236 DVGOCNFDVHLEBL-OAHLLOKOSA-N 428.489 4.101 5 20 IIBD O=C(Cc1ccccc1[N+](=O)[O-])N(C[C@@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F 440437830 CVQIFBCFKOZNAM-GOSISDBHSA-N 435.446 4.050 5 20 IIBD O=C(NCCc1nc(-c2ccccn2)cs1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444014321 ZEWMUPRQENKJKZ-UHFFFAOYSA-N 444.491 4.311 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCN1Cc1ccccc1 444163924 DFSSMTCFJFJUPL-NQIIRXRSSA-N 425.532 4.464 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1cccc(NC(=O)C2CCCCC2)c1 444908695 GEQZJVGANLWZRR-UHFFFAOYSA-N 436.472 4.312 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(C3(c4ccc(OC)c(OC)c4)CCC3)n2)c1 445579604 LLZSOOPKNNCYPJ-UHFFFAOYSA-N 425.441 4.064 5 20 IIBD CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)CCc3cccc([N+](=O)[O-])c3)cc2)cc1 446156096 LVUGJPOOCRXUBY-UHFFFAOYSA-N 440.477 4.362 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2cnn(C)c2C(F)(F)F)cc1[N+](=O)[O-])c1ccccn1 446368436 GAIVAMSRDRJUNB-LLVKDONJSA-N 434.378 4.168 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccc(F)c2)c(Br)c1 447033845 MGHVWBCHMAUHSZ-OAHLLOKOSA-N 429.267 4.022 5 20 IIBD CCOC(=O)[C@@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)Cc2ccccc21 448196586 LLLKDZSDLDMSIK-GOSISDBHSA-N 437.477 4.021 5 20 IIBD CCOCCCn1c(-c2sccc2C)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 460711774 APGHRCWGFSEGJK-UHFFFAOYSA-N 427.530 4.213 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)c1nnc(-c2cc3ccccc3o2)n1C[C@H]1CCOC1 461562325 NZBJKNWVHVQXLT-GOSISDBHSA-N 447.495 4.315 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@H]2CCO[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 462695275 GLKRJCCZIVKZLN-HTAPYJJXSA-N 445.541 4.180 5 20 IIBD CC1CCC(NS(=O)(=O)c2ccc(N3CCC(C(F)(F)F)CC3)c([N+](=O)[O-])c2)CC1 462951693 RTLVJXYBSAMNKU-UHFFFAOYSA-N 449.495 4.231 5 20 IIBD Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)CCn1cc([N+](=O)[O-])cn1 464461595 ZPRYJMSFTJVOGT-UHFFFAOYSA-N 427.848 4.034 5 20 IIBD CCN(CC)Cc1cccc(CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 465524549 XJEHRBHMRNTKAB-UHFFFAOYSA-N 440.544 4.190 5 20 IIBD COc1cc(OC)c2cc(CCCNC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)[nH]c2c1 467228483 YNLJVRJPFXNTMT-UHFFFAOYSA-N 446.891 4.179 5 20 IIBD Cn1cc(C(=O)Nc2cc(F)cc(F)c2Br)c(-c2ccc([N+](=O)[O-])cc2)n1 468285679 KFTDLSLGQTWWMW-UHFFFAOYSA-N 437.200 4.288 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)c1 468589514 LAILCLIPYLAZTE-OAHLLOKOSA-N 434.290 4.083 5 20 IIBD Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)cc1 469474318 LAKASIDEKZRUEG-HJPURHCSSA-N 435.480 4.170 5 20 IIBD O=C1Nc2cc(Cl)ccc2[C@H]1C1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 470128521 MXGUQIGCRMFQGQ-GOSISDBHSA-N 432.839 4.367 5 20 IIBD COc1cc(CN(C)c2ncc(Br)cc2[N+](=O)[O-])c(SC)cc1OC 474780699 NEDIBHTUDYAHHZ-UHFFFAOYSA-N 428.308 4.128 5 20 IIBD Cc1cc(F)c(Br)cc1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 474962329 IHTNYPNTEGRCDX-UHFFFAOYSA-N 437.269 4.159 5 20 IIBD COc1cccc(C2=CCN(C(=O)c3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])CC2)c1 476174107 WPVNDCUHOPOOJB-UHFFFAOYSA-N 434.395 4.143 5 20 IIBD O=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 479660884 BVDJMQIIFWBZTE-UHFFFAOYSA-N 428.452 4.233 5 20 IIBD COc1cc(OCC(=O)N2CCC[C@H]2c2nc3ccccc3n2C(C)C)ccc1[N+](=O)[O-] 479960226 NVSXUVZYRLQUKK-FQEVSTJZSA-N 438.484 4.277 5 20 IIBD Cc1c(CNC(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cccc1[N+](=O)[O-] 480065380 XIQSQFFDBOYDRG-UHFFFAOYSA-N 448.882 4.256 5 20 IIBD CCn1c(S[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)nnc1-c1ccc([N+](=O)[O-])cc1 481363370 JWRWQRCFVQOPCU-GJZGRUSLSA-N 437.525 4.332 5 20 IIBD COc1ccc(-c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3F)nc2)cc1Cl 481845842 IKHMWIPZDMEMCX-UHFFFAOYSA-N 437.836 4.259 5 20 IIBD O=C1CCC(c2ccc(NC(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)cc2)=NN1 485607282 HGRAWSMSQUWLHV-UHFFFAOYSA-N 429.436 4.205 5 20 IIBD COc1cc(C(=O)N(CC(=O)O)CC(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 485718865 KGQXYZSXBPNZAC-UHFFFAOYSA-N 436.848 4.232 5 20 IIBD CN(Cc1nccn1CC(F)(F)F)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 486448010 NHSWNKKJYWWXQT-UHFFFAOYSA-N 447.417 4.238 5 20 IIBD CCc1ccc(-c2noc([C@H](C)NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)n2)cc1 488173108 BNMUFEFIBTWQAH-NSHDSACASA-N 432.383 4.300 5 20 IIBD COc1cc(CN[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F 493681297 AWMLRLKZQASHOI-QFBILLFUSA-N 449.498 4.390 5 20 IIBD Cc1ccc(Br)c(S(=O)(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 497984321 PWMJNUXGLZUUFM-MRXNPFEDSA-N 443.344 4.102 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)[C@@H](C)c1ccccc1C(F)(F)F 501614557 FLPFYIPTXLGVGL-HSMVNMDESA-N 441.454 4.154 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc2ccsc12 501625760 INLAQYHWLUFCLF-QGZVFWFLSA-N 429.523 4.300 5 20 IIBD CCN([C@@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 503503010 HKPIIFFOQWLBIY-QHCPKHFHSA-N 439.537 4.282 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])NCc1cc(Br)ccc1OC(F)F 504898721 WPNQTIQWLRKBKA-UHFFFAOYSA-N 444.232 4.077 5 20 IIBD Cc1ccc(-n2nc(C(C)C)cc2NC(=O)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 505020534 JZECIQNAQMIFRB-KRWDZBQOSA-N 449.511 4.337 5 20 IIBD COC(=O)c1ccc(F)c(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 506084524 AXBUTGQGKQJWGN-CYBMUJFWSA-N 438.415 4.341 5 20 IIBD CNC(=O)c1ccc(C)c(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 506201547 CCJHNJNURYIVMY-HNNXBMFYSA-N 433.468 4.083 5 20 IIBD Cc1ccc(NC(=O)C(=O)N[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)cc1[N+](=O)[O-] 507419212 DLPKMBJSQTWTJZ-KRWDZBQOSA-N 437.374 4.008 5 20 IIBD O=C(CSc1nnc(-c2cccs2)n1Cc1ccco1)Nc1ccccc1[N+](=O)[O-] 509006745 ZXIDQMTZZKAXGT-UHFFFAOYSA-N 441.494 4.287 5 20 IIBD Cc1c(Br)cc(C(=O)N2C[C@H](C)O[C@@H](c3ccsc3)C2)cc1[N+](=O)[O-] 510479420 OTHASFGHDWKGSE-MGPLVRAMSA-N 425.304 4.329 5 20 IIBD C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 513343903 VTRXEEJGFVOMHD-AWEZNQCLSA-N 433.302 4.267 5 20 IIBD CCNc1ccc(C(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)cc1[N+](=O)[O-] 513738507 VFTDJAYELPNHNU-UHFFFAOYSA-N 439.516 4.093 5 20 IIBD C[C@@H](Sc1nnc(COc2ccc(Cl)cc2)o1)C(=O)Nc1cccc([N+](=O)[O-])c1 514295397 JRIULCMOOJMMFJ-LLVKDONJSA-N 434.861 4.330 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCC[C@@H](OCC(F)(F)F)C3)cc2[N+](=O)[O-])CC1 515440263 AUAXFGJLWVFBKR-MRXNPFEDSA-N 429.439 4.015 5 20 IIBD COc1ccc(CNC(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1[N+](=O)[O-] 515830046 RVCCBOGIVCGUKB-INIZCTEOSA-N 448.479 4.416 5 20 IIBD O=C(Cc1ccccc1[N+](=O)[O-])N(CCCn1ccnc1)Cc1c(F)cccc1Cl 518419173 JDFCIINVWVAKNG-UHFFFAOYSA-N 430.867 4.245 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 520387051 WOPUAILQBXLGTE-GFCCVEGCSA-N 429.816 4.500 5 20 IIBD Cc1ccc([C@H]2COCCN2C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)o1 523973654 JMWRLDAWOKJOJX-HRAATJIYSA-N 436.468 4.278 5 20 IIBD O=C(CSc1cccc(Br)c1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 524139735 WHLZUODESLMJOP-UHFFFAOYSA-N 439.287 4.249 5 20 IIBD COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1Br 524254623 JPOPJSYODIRLKZ-UHFFFAOYSA-N 430.052 4.381 5 20 IIBD COc1ccc(NC(=O)c2cccc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])c2)cn1 524692269 YNVJJSSVDRVDPX-UHFFFAOYSA-N 426.816 4.156 5 20 IIBD O=C(Nc1cccc(F)c1)C1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 525354666 VNDCKMNBZUDMDM-UHFFFAOYSA-N 442.491 4.117 5 20 IIBD COc1cc(C(=O)N2CCCc3c(F)cccc32)c([N+](=O)[O-])cc1OCc1cscn1 531371724 YMVNDIJZBAXECQ-UHFFFAOYSA-N 443.456 4.371 5 20 IIBD Cc1cc(-c2noc(C[S@@](=O)Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)n2)ccc1F 535508198 QYTOYQFOLMVUJX-HKBQPEDESA-N 442.428 4.196 5 20 IIBD CCOc1ccc(N(CC)C(=O)c2cc(I)cc([N+](=O)[O-])c2)cc1 535736069 RDSODEJDCZUSII-UHFFFAOYSA-N 440.237 4.265 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnc(-c3ccccc3)s2)c(Br)c1 536629602 QSVHTGFZCXGOHD-UHFFFAOYSA-N 440.300 4.282 5 20 IIBD COCCN(Cc1ccc2c(c1)OCO2)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 536671835 QFFQKWNPOVKBQN-UHFFFAOYSA-N 427.482 4.096 5 20 IIBD COc1cc(C(=O)N(C)CCc2cnccn2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 537762586 JWLYNIGOAIEJLY-UHFFFAOYSA-N 442.859 4.154 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3n[nH]c(C)n3)c(Cl)c2)cc1SC 539413909 GMKRZTOOOPDCJK-UHFFFAOYSA-N 433.877 4.325 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(C(=O)NC(C)(C)C)CC1 540804377 BPSAACLVJBXUBO-UHFFFAOYSA-N 436.578 4.189 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 543383111 GDNAKASVMGTTEM-UHFFFAOYSA-N 426.448 4.313 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2sc(-c3ccccc3)nc2C)cc1OC 544068510 OAGDPFSYHRJPGD-UHFFFAOYSA-N 443.481 4.313 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(-c3nc(-c4ccccc4N4CCOCC4)no3)cs2)c1 545614842 KRIIRLVPVUTRHL-UHFFFAOYSA-N 435.465 4.272 5 20 IIBD CCOc1ccccc1OCc1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 545741841 FHHZJUPUBZCCJM-UHFFFAOYSA-N 434.246 4.309 5 20 IIBD Cc1sc(NC(=O)c2cc([N+](=O)[O-])cnc2N)nc1-c1ccc(Br)cc1 546828776 FTEGJZJDMRQFLQ-UHFFFAOYSA-N 434.275 4.019 5 20 IIBD Cn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nc2cc([N+](=O)[O-])ccc2c1=O 547229938 DXDWYSFMAWOCTP-UHFFFAOYSA-N 446.488 4.240 5 20 IIBD O=C(CN1CCC[C@H]1c1ccc(Br)cc1)N1CCc2ccc([N+](=O)[O-])cc21 550332386 CKIHTFMHJJEFFU-SFHVURJKSA-N 430.302 4.084 5 20 IIBD C[C@H](Cc1cnc2ccccc2n1)C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 550649162 FGUPVQOZHBRAAN-CQSZACIVSA-N 432.402 4.308 5 20 IIBD CCOc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1OC 551710206 YUQPUUKWEYMFEK-AWEZNQCLSA-N 443.500 4.116 5 20 IIBD CC(C)(CNC(=O)c1sc(Br)cc1[N+](=O)[O-])Oc1cc(F)cc(F)c1 552241638 ZRKLGCYBZAXKFP-UHFFFAOYSA-N 435.246 4.284 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(OCCCO)cc2)cc1 553625293 JGFPDXJVLZZNPK-UHFFFAOYSA-N 438.436 4.409 5 20 IIBD CCOc1ccc(C(=O)N2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)cc1[N+](=O)[O-] 564197773 VKZBITYLHPFLMX-GOSISDBHSA-N 440.374 4.106 5 20 IIBD NC(=O)c1cccc(NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1[N+](=O)[O-] 564554542 YOLDEORCNJINGD-UHFFFAOYSA-N 431.427 4.298 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCC([C@@H]3NC(=O)C3(C)C)CC2)cc1[N+](=O)[O-] 568906374 UNFDXIMMJUQMLC-IBGZPJMESA-N 433.574 4.110 5 20 IIBD O=C(CC1CCC(c2ccccc2)CC1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 571319406 UEYIGTXMXMDADO-UHFFFAOYSA-N 435.524 4.243 5 20 IIBD C[C@@H](C(=O)Nc1cc(NC(=O)CN2CCCC[C@H]2C)ccc1F)c1cccc([N+](=O)[O-])c1 577333289 KEMYEVBOOIDJIX-HZPDHXFCSA-N 442.491 4.289 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NC/C=C/c1cccnc1 590396848 DWDPQMUNMOVHKG-FNORWQNLSA-N 439.475 4.215 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3C[C@H](CO)Cc4ccccc43)cc2[N+](=O)[O-])n1 590405701 HHSONKFNCZUKAH-CQSZACIVSA-N 441.534 4.322 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCc3sccc3C2)nc1 603461992 QTPSFTRIKKXJMC-UHFFFAOYSA-N 437.525 4.445 5 20 IIBD CCO[C@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 604427936 MIEAGNLCFCAUBG-INIZCTEOSA-N 428.510 4.189 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCc1ccccc1-c1ccc(Cl)cc1 608851162 TVDHBGVBFLKMEJ-UHFFFAOYSA-N 437.883 4.352 5 20 IIBD COc1ccc(CCNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1F 609116064 AJAACVFLQAZSEF-OAHLLOKOSA-N 438.459 4.283 5 20 IIBD O=C(Nc1ccccc1)c1ccc(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cc1 609762473 LSNXMCFKYDCHQS-UHFFFAOYSA-N 428.404 4.353 5 20 IIBD C[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Br)CCN1Cc1ccccc1 610046015 PCYZNQRRESVHPT-DOTOQJQBSA-N 446.345 4.482 5 20 IIBD Cc1cc(=O)c(C(=O)Nc2ccc(COC3CCCC3)cc2)nn1-c1ccccc1[N+](=O)[O-] 610054563 UABBVPAQEOIKAK-UHFFFAOYSA-N 448.479 4.161 5 20 IIBD COc1ccc(N(Cc2ccco2)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1F 610058655 MMDSDUXKUXHNAX-UHFFFAOYSA-N 440.836 4.384 5 20 IIBD COC(=O)[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)Cc1ccc2ccccc2c1 610065063 GHXRWGOQEZOBHA-HXUWFJFHSA-N 434.492 4.174 5 20 IIBD CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 610172039 OPRFLCAFTSWJSS-UHFFFAOYSA-N 444.919 4.195 5 20 IIBD CC(C)(C)OCc1ccc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1 610624608 LFWWPILFKHUTNF-UHFFFAOYSA-N 427.457 4.237 5 20 IIBD Cc1ccncc1[C@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 611298030 IHUCJRGIICAPJT-ZDUSSCGKSA-N 442.522 4.327 5 20 IIBD COc1cc(CN2CCC3(CC2)OCc2ccccc23)c([N+](=O)[O-])cc1OCC(F)F 611518871 CCXOIOOTDPWMRJ-UHFFFAOYSA-N 434.439 4.269 5 20 IIBD COc1cccc(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1OC(F)F 612596309 PVFINTCYAADZKT-UHFFFAOYSA-N 449.332 4.066 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccc(N2CCCCCC2)nc1 614003919 QOYQHEWIZLSTSQ-UHFFFAOYSA-N 440.547 4.247 5 20 IIBD COc1ccc(Cn2nccc2NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 642307276 QGHYSHMJFJFVMU-UHFFFAOYSA-N 438.487 4.047 5 20 IIBD O=C(Oc1ccccc1OC(F)F)c1ccc([N+](=O)[O-])cc1I 729955131 DFHOUSHLOZMHQV-UHFFFAOYSA-N 435.120 4.020 5 20 IIBD C[C@@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1csc2ccccc12 729960329 OKMYPICOGXDARM-CYBMUJFWSA-N 425.466 4.375 5 20 IIBD O=C(c1ccc(I)c([N+](=O)[O-])c1)N1CCCc2c(F)cc(F)cc21 730474085 LQNCNIKEWYOWBH-UHFFFAOYSA-N 444.175 4.071 5 20 IIBD COC1CCN(C2(CNc3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])CCCC2)CC1 730806435 JIWNTYNPAQYBLP-UHFFFAOYSA-N 446.426 4.357 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)C[C@H]1OCCc2ccccc21 734314496 NPPJACUDWKYZKZ-HXUWFJFHSA-N 436.468 4.086 5 20 IIBD O=C(OCc1ccccc1)c1cccc(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)c1 735272300 BZBCTFZKQZFQLI-UHFFFAOYSA-N 443.415 4.458 5 20 IIBD CC(=O)Nc1cc(F)c(S(=O)(=O)Oc2cc([N+](=O)[O-])c(Cl)cc2C)cc1Cl 735675171 BYEFRRZGPROPNI-UHFFFAOYSA-N 437.232 4.075 5 20 IIBD O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1ccc([N+](=O)[O-])cc1Br 739498276 XJQBPTICHGOLNG-UHFFFAOYSA-N 438.665 4.390 5 20 IIBD CCOC(=O)C1=C(C)N(Cc2cccs2)C(=O)N[C@H]1c1cc(Cl)ccc1[N+](=O)[O-] 739668027 YLFLOMCVMKPRTF-KRWDZBQOSA-N 435.889 4.413 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc([N+](=O)[O-])cc1Br 740409210 BOBFHHWLWISDEO-UHFFFAOYSA-N 439.218 4.410 5 20 IIBD C[C@H](OC(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)c1cccc([N+](=O)[O-])c1 741534757 JVBTYBAHNPJVEV-YJBOKZPZSA-N 443.525 4.151 5 20 IIBD COc1ccc(S(=O)(=O)Oc2ccc3c(c2)OC2(CCCCC2)CC3=O)c([N+](=O)[O-])c1 742634919 ULMLVYIEIDYCAG-UHFFFAOYSA-N 447.465 4.039 5 20 IIBD Cc1cc(C2=N/C(=C/c3cc(Cl)ccc3OC[C@H]3CCCO3)C(=O)O2)ccc1[N+](=O)[O-] 743280763 IMWDERBZIOFCCJ-AUUUKSDWSA-N 442.855 4.459 5 20 IIBD CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 744118011 WHBMLODJMGSPEE-IIMDRIAPSA-N 432.517 4.117 5 20 IIBD C[C@H](OC(=O)[C@H]1CCCCN1Cc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 745103909 IPJHVVKMLSXIML-MGPUTAFESA-N 445.903 4.173 5 20 IIBD COc1cc(C(=O)O[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)c([N+](=O)[O-])cc1OC 746099014 UAKPVEXYONXELS-SNVBAGLBSA-N 433.804 4.233 5 20 IIBD CC(C)Nc1ccc(Br)cc1NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 746334571 SFUNIXVBGRBNFN-UHFFFAOYSA-N 436.262 4.008 5 20 IIBD COc1ccc2cc([C@]3(C)NC(=O)N(Cc4cc(Cl)ccc4[N+](=O)[O-])C3=O)ccc2c1 746390392 FQKDKADBMKWZBZ-QFIPXVFZSA-N 439.855 4.377 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cccc1[N+](=O)[O-] 747120042 WIGALSUVIFQARZ-SNVBAGLBSA-N 441.318 4.014 5 20 IIBD COC(=O)c1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2Cl)c(Cl)cc1Cl 747229610 SGFWMLWVAJDUNQ-UHFFFAOYSA-N 440.644 4.109 5 20 IIBD CO[C@@H](C)c1noc(COC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)n1 747675952 DGRZZKDORHPMCS-LBPRGKRZSA-N 446.847 4.308 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@@H](C)OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 747957764 ABMFAYJYKFBCNR-CYBMUJFWSA-N 441.465 4.219 5 20 IIBD CCOc1ccc(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cc1OC 750846424 ZAWNXTBUAYHTJX-UHFFFAOYSA-N 443.681 4.348 5 20 IIBD C[C@@H](OC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)c1ccc(OC(F)F)cc1 750962775 DFNMFIPANRWFBA-SECBINFHSA-N 444.184 4.387 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)OCc2nc(O)c3c(-c4ccccc4)csc3n2)c1 752197621 SBELWFJLQXJYCL-UHFFFAOYSA-N 437.433 4.338 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)OCc2cc(C)nc(C)n2)cc1[N+](=O)[O-] 754484835 XOKCGZCBCXVIKW-UHFFFAOYSA-N 437.477 4.312 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1Cn1c(C)nc2ccccc21 755967395 MSUVNPKTJBMBMN-OAHLLOKOSA-N 448.932 4.068 5 20 IIBD O=C(CN(Cc1ccccc1)c1ccccc1)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 757852129 SYJBTEGELFBEDX-UHFFFAOYSA-N 444.447 4.395 5 20 IIBD Cc1ccc(-c2cncc(C(=O)OC[C@H]3CCCN3C(=O)c3ccccc3[N+](=O)[O-])c2)cc1 757892270 SYFJFPKCXJSLMS-OAQYLSRUSA-N 445.475 4.427 5 20 IIBD Cc1nn(C)c(C)c1[C@H](OC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F 760780358 JIXYPOPZNZMBRI-BONVTDFDSA-N 435.786 4.213 5 20 IIBD COc1cc(Cc2noc(-c3cc(Br)c(C)c([N+](=O)[O-])c3)n2)ccc1[N+](=O)[O-] 762306829 DKEWFEMGBJTPLQ-UHFFFAOYSA-N 449.217 4.223 5 20 IIBD Cc1nc(-c2cccc(NC(=O)COC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)c2)cs1 763404444 RLDKKXWJYDUKCV-ZDUSSCGKSA-N 425.466 4.312 5 20 IIBD Cc1ccc(Br)cc1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 764217604 CVZUJFPDRLGGSH-UHFFFAOYSA-N 440.681 4.078 5 20 IIBD COc1ccc([C@H](C)OC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1Cl 764618285 OXXXPSCYFKUPMD-FZMZJTMJSA-N 438.889 4.227 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)NNc2c(Cl)cc(Cl)cc2Cl)c2ncccc12 766354415 DDPKVYAZVZIUKK-UHFFFAOYSA-N 447.687 4.409 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 767475585 OKLRWQTYGPLBIF-UHFFFAOYSA-N 427.504 4.421 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc([N+](=O)[O-])c1F 768267323 BECHXECTGUVGKB-UHFFFAOYSA-N 436.490 4.053 5 20 IIBD O=C(NC[C@@H](O)c1ccncc1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 768320397 GSAYLPWINUKBAJ-QGZVFWFLSA-N 429.885 4.258 5 20 IIBD O=[N+]([O-])c1cc(CN2CCN(CCCc3nc(-c4cccs4)no3)CC2)ccc1Cl 768544352 NXXBQLDDDAYCRN-UHFFFAOYSA-N 447.948 4.110 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@@H]1c2ccccc2CC[C@H]1n1ccnc1 769144267 KOWHKZXPHICUNQ-WOJBJXKFSA-N 425.876 4.173 5 20 IIBD O=C(Nc1cc(Cl)ccc1Br)c1cc([N+](=O)[O-])ccc1N1CCOCC1 769720809 WREGJNVEBAZIKJ-UHFFFAOYSA-N 440.681 4.100 5 20 IIBD CN(CCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1)C(=O)OC(C)(C)C 770226411 GVXJKMCMSOFOKB-UHFFFAOYSA-N 425.913 4.357 5 20 IIBD Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 771466903 BFRRGSLQYJMPOS-SFHVURJKSA-N 439.903 4.452 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 772317823 GLJINBHFIDUVRP-MSOLQXFVSA-N 449.551 4.059 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)N1CCc2ccccc2C1 775091435 PYXHBKLJBSNLLF-OAHLLOKOSA-N 428.510 4.226 5 20 IIBD C[C@H]1[C@@H](C)N(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCN1C(=O)OC(C)(C)C 776502257 HEQUNYJRKYDZJV-KGLIPLIRSA-N 446.529 4.188 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)c1cccc(SC)c1[N+](=O)[O-] 777074673 ZEXLQFMAGBCSGO-NSHDSACASA-N 438.889 4.471 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O 777083573 MRZNPLWDZIBWHS-HXUWFJFHSA-N 441.553 4.408 5 20 IIBD CC(=O)OCCc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c1 779374223 ANCVRVOGIVIMSU-UHFFFAOYSA-N 425.485 4.189 5 20 IIBD Cc1cc(COC(=O)CCC[S@@](=O)c2ccc(Br)cc2)ccc1[N+](=O)[O-] 781172058 SSNBARYABYAKAS-AREMUKBSSA-N 440.315 4.297 5 20 IIBD COC[C@@H](C)n1c(C)cc(C(=O)COC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1C 781259272 CGBOUHKJGOPZQK-MRXNPFEDSA-N 446.503 4.347 5 20 IIBD Cc1cccc(S(=O)(=O)CCCOC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1 781259518 MZOOKWYFRAWQKV-UHFFFAOYSA-N 435.501 4.011 5 20 IIBD O=C(Nc1ccc(OC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cc1)C1CCCCC1 781651338 MLEREBISMMEEDV-NRFANRHFSA-N 437.452 4.212 5 20 IIBD CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] 781806160 FHGVKMMHMJAAEI-UHFFFAOYSA-N 431.464 4.309 5 20 IIBD Cc1ccc([C@@H](N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c2cccc(S(C)(=O)=O)c2)cc1 788608511 GQCNRAJIKUHJNU-QMHKHESXSA-N 439.537 4.329 5 20 IIBD CCc1c(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cnn1-c1ccc(Cl)cc1 791579508 JCQNGCSVMXNPBF-UHFFFAOYSA-N 443.847 4.476 5 20 IIBD O=C(CCNc1ncc(C(F)(F)F)cc1Cl)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 791945684 VAUJMMYHNRNBPO-UHFFFAOYSA-N 448.741 4.116 5 20 IIBD O=C(NC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1)OCc1ccccc1 794038787 VCGYEPHWXOVNFF-MRXNPFEDSA-N 431.876 4.027 5 20 IIBD Nn1c(Cc2cccc3ccccc23)nnc1SCc1c(F)cc([N+](=O)[O-])cc1F 795180589 MGLWPEDTUFWUQT-UHFFFAOYSA-N 427.436 4.215 5 20 IIBD Cc1c(CC(=O)OC[C@@H]2CCC(=O)N(C)[C@H]2c2cccc(Cl)c2)cccc1[N+](=O)[O-] 797059371 WHARJKSDQUXHHT-JTSKRJEESA-N 430.888 4.252 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(COc2ccccc2)c1 799261184 QSWJUDPNTOOCCZ-UHFFFAOYSA-N 435.436 4.150 5 20 IIBD COc1ccc(CN(CC2CC2)C(=O)c2cccc([N+](=O)[O-])c2Br)c(OC)c1 800369728 VKVQGZCDUSWZSL-UHFFFAOYSA-N 449.301 4.427 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 800598139 BEPPEDQXIYGQNP-UHFFFAOYSA-N 439.365 4.191 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N(Cc1ccccc1)C[C@@H](O)c1ccccc1 804405994 HEJBQNWXNQNCBO-XMMPIXPASA-N 442.475 4.157 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1ccc2c(C)cc(=O)oc2c1 805351423 XNZPNNFZXHGSRY-UHFFFAOYSA-N 428.466 4.025 5 20 IIBD C[C@H](Nc1ccc(C(=O)OCc2cnnn2-c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 806033804 OQCOFBIOGBWROU-INIZCTEOSA-N 444.451 4.101 5 20 IIBD O=C1CSc2ccc(C(=O)OCc3csc(-c4cccc([N+](=O)[O-])c4)n3)cc2N1 811217648 VLBJPTLBCYNEIH-UHFFFAOYSA-N 427.463 4.120 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 812146938 JLMSHGFBNGONRV-IERDGZPVSA-N 437.500 4.096 5 20 IIBD O=C(NCC(F)(F)F)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 812876678 OHCZSKSOFQYORJ-UHFFFAOYSA-N 436.173 4.446 5 20 IIBD CCOC(=O)c1cc(C(=O)N[C@H](C)c2ccc(C(F)(F)F)nc2Cl)cc([N+](=O)[O-])c1 816763444 UNZRYKUIQOPWSH-SECBINFHSA-N 445.781 4.330 5 20 IIBD C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 816819634 KNPBFTMSUFSYQY-PIGZYNQJSA-N 439.346 4.124 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 816864582 RMDYTLFMEGWMGO-OAHLLOKOSA-N 443.422 4.133 5 20 IIBD COCc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc(C(=O)OC)c1 817013298 GJJYFOYPUQGVTJ-UHFFFAOYSA-N 441.484 4.016 5 20 IIBD CCCCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 913419191 ZTZOJCYLVIWJKP-UHFFFAOYSA-N 439.921 4.311 5 20 IIBD Cc1nc(C(F)(F)F)ccc1C(=O)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C 914463718 YJEQCCBCIKZSQA-UHFFFAOYSA-N 449.389 4.418 5 20 IIBD Cc1ccc(OCc2nc(COC(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)cs2)cc1 915523326 YOSWXIPEWZDQKC-UHFFFAOYSA-N 438.465 4.032 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1OC 916413275 HYFQJVRYSUGXCB-KBPBESRZSA-N 447.463 4.007 5 20 IIBD O=C(OCc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 919089053 WPXXZGLOZZLBMR-KRWDZBQOSA-N 441.242 4.389 5 20 IIBD CC(C)(C)n1ncc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1C(F)(F)F 919201510 DUZCYXSEZBQZJI-UHFFFAOYSA-N 448.785 4.014 5 20 IIBD O=C(COC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)NCc1ccccc1OC1CCCC1 919212541 UCPZFVSJAZWRTE-UHFFFAOYSA-N 438.436 4.136 5 20 IIBD CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)OC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 919212802 YOPNGSHTTQXTJR-GFCCVEGCSA-N 436.376 4.474 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)c([N+](=O)[O-])c1 919959980 KAJNLJJBBBFEPJ-UHFFFAOYSA-N 441.849 4.279 5 20 IIBD Cc1c(C(=O)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])oc2ccc(Cl)cc12 920333471 DRZDZCNZACYJCO-UHFFFAOYSA-N 429.237 4.075 5 20 IIBD C[C@H](NC(=O)COC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1Cl 920776988 FZZUTVJGHBYCIR-NWDGAFQWSA-N 441.267 4.090 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Oc2ccc(NC(=O)c3cccs3)cc2)cc1[N+](=O)[O-] 923974854 ZNAJQJKPSCTZLQ-UHFFFAOYSA-N 427.394 4.344 5 20 IIBD CNS(=O)(=O)c1cc(NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)ccc1C 1117137494 FTNJQLHVMNOCJD-UHFFFAOYSA-N 435.889 4.337 5 20 IIBD COc1ccc([C@H](NC(=O)c2csc([N+](=O)[O-])c2)c2ccc(OC)cc2OC)cc1 1318382477 JJHWYTZYWDMLTE-FQEVSTJZSA-N 428.466 4.202 5 20 IIBD O=C(NC1CCC(O)(C(F)(F)F)CC1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 1320375199 BSDBQKVCKJUJKD-UHFFFAOYSA-N 437.418 4.173 5 20 IIBD COc1cc(Br)cc(CO)c1OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 1320822811 NCSKYIUZZUFTHB-UHFFFAOYSA-N 435.230 4.092 5 20 IIBD Cc1c(-c2nnc(-c3cc(F)ccc3Br)o2)nnn1-c1cccc([N+](=O)[O-])c1 1322357886 OUNLBZWTQLRULV-UHFFFAOYSA-N 445.208 4.103 5 20 IIBD COc1ccc(-c2nnc(-c3cc(OC)c(OC)cc3[N+](=O)[O-])o2)cc1Br 1322364108 PYVWTODLKAYBBV-UHFFFAOYSA-N 436.218 4.100 5 20 IIBD Cc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2sccc2Cl)cc1[N+](=O)[O-] 1798975715 WAJAEXQCAAAODG-MUJYYYPQSA-N 447.944 4.113 5 20 IIBD O=C(/C=C/C1CCCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1F 1800352943 CSZWPCYUNGUDDZ-SJXSPGMASA-N 429.492 4.122 5 20 IIBD COc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CC(C)(C)C)n[nH]2)ccc1[N+](=O)[O-] 1816761416 JKZLDEOFDJTCPV-MRXNPFEDSA-N 443.504 4.069 5 20 IIBD CC[C@H](C)CC(=O)N[C@@H]1CCc2nc(NC(=O)c3c(F)ccc([N+](=O)[O-])c3C)sc2C1 1823692924 DAPFFUFUCONRJS-WCQYABFASA-N 448.520 4.161 5 20 IIBD Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(C)CCC3)CC2)cc1[N+](=O)[O-] 1823709598 YRNNOZZUJKBDQD-NRFANRHFSA-N 441.572 4.256 5 20 IIBD CC(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)CC1 1826305969 VSCAVOLKPFRRHJ-QFIPXVFZSA-N 441.572 4.292 5 20 IIBD Cc1c(Cl)cccc1C(=O)N1CC2(CCCN2C(=O)c2c(F)ccc([N+](=O)[O-])c2C)C1 1845492217 BYRDRULZCRVEHY-UHFFFAOYSA-N 445.878 4.135 5 20 IIBD CC(C)c1ccc([C@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)c2cccs2)cc1 10102562 OUJYHWIEIWQTAU-QFIPXVFZSA-N 437.521 4.415 5 20 IIBD NC(=O)[C@@H](OC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccccc1 11742695 ZMPAXLUYNRXFNE-FQEVSTJZSA-N 439.855 4.244 5 20 IIBD C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] 17273375 NTKVSYKMLOUKBH-GFCCVEGCSA-N 429.527 4.293 5 20 IIBD Cc1ccc(C2=NN(C(=O)COC(=O)c3c(C)cccc3[N+](=O)[O-])[C@H](c3ccco3)C2)cc1 26117817 FTFQYVWRSBIUHF-FQEVSTJZSA-N 447.447 4.339 5 20 IIBD Cc1ccc2[nH]c(C(=O)N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)cc2c1 29512521 QXNUDPBQPZUPLW-UHFFFAOYSA-N 432.402 4.366 5 20 IIBD CCN(C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc(F)cc1 32332558 NACPHXIWVVCXRC-UHFFFAOYSA-N 443.456 4.201 5 20 IIBD O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 58770792 PRYIHHWQBZEVGZ-KRWDZBQOSA-N 428.395 4.189 5 20 IIBD O=C(N[C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(Br)c([N+](=O)[O-])c1 59852266 XKWPEXNZTSCFAH-SFHVURJKSA-N 433.258 4.010 5 20 IIBD Cc1c(NC(=O)CCN2CCC(C(=O)c3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] 60482679 FYHLWCIEDVGRRQ-UHFFFAOYSA-N 429.904 4.480 5 20 IIBD CCOc1cccc([C@@H](C)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])c1 63282264 IKDPTLGPEOSVHN-MRXNPFEDSA-N 433.530 4.341 5 20 IIBD CCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)c2)n1 64918071 FJXANGBCGCRJHX-UHFFFAOYSA-N 447.476 4.283 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 111039879 OZQHRRWXEZPAGL-UHFFFAOYSA-N 436.447 4.239 5 20 IIBD C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 248382127 VZBGRKYPOAVMOQ-NSHDSACASA-N 431.246 4.153 5 20 IIBD COc1ccc2oc([C@@H](C)Nc3ccc(C(=O)N4CCOCC4)cc3[N+](=O)[O-])c(C)c2c1 301179238 HEHKBMSJDHYSQB-OAHLLOKOSA-N 439.468 4.304 5 20 IIBD CN(C)CC1CCN(c2ccc(Nc3ncc(Br)cc3[N+](=O)[O-])cc2)CC1 301668853 DHNOENDFMKXVPS-UHFFFAOYSA-N 434.338 4.274 5 20 IIBD COc1ccc([C@H](NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)c2ccccc2Cl)cc1 409663621 JYSPRGZRFXOYFU-NRFANRHFSA-N 442.903 4.366 5 20 IIBD O=C(C[C@@H]1C=CCC1)Nc1ccccc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 409978064 QWVOBTSEKSNAKH-MRXNPFEDSA-N 431.452 4.328 5 20 IIBD COc1cc(CN(C)C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)ccc1O 427157122 GYPLINQZHYOMMZ-HZPDHXFCSA-N 427.501 4.064 5 20 IIBD Cc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 427895289 NAEVQVHYMQAWRX-UHFFFAOYSA-N 449.307 4.196 5 20 IIBD C[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 428268883 GTZBGNQRHPUNCQ-LJQANCHMSA-N 446.507 4.184 5 20 IIBD O=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1ccc(Br)cc1[N+](=O)[O-] 429932881 VSAOZBQUEAUWPQ-UHFFFAOYSA-N 427.258 4.284 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O 430575900 LNPVWVAFZLCLGQ-UHFFFAOYSA-N 445.431 4.167 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC(OCCc2ccccc2)CC1 431820473 CXLNRFKQCLJPOY-UHFFFAOYSA-N 433.302 4.221 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2nnc([C@@H]3CCCc4ccccc43)s2)c([N+](=O)[O-])c1 432538639 OJYNMUXBLWLHDL-OAHLLOKOSA-N 430.511 4.024 5 20 IIBD O=[N+]([O-])c1ccc(NC2CCN(CCOc3ccc(F)cc3)CC2)cc1OC(F)F 433437479 PQKFDDCHMCOFJA-UHFFFAOYSA-N 425.407 4.291 5 20 IIBD O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 435662523 KFFXGPLGGPWNPP-UHFFFAOYSA-N 442.642 4.461 5 20 IIBD O=C(Nc1cnn(Cc2ccccc2)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436072391 BVUMLXDCSQXQHV-UHFFFAOYSA-N 430.414 4.457 5 20 IIBD C[C@@H](NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1O)c1cccc([N+](=O)[O-])c1 436687127 QLTFRXFHWXNJDL-GFCCVEGCSA-N 441.390 4.322 5 20 IIBD CCOc1ccc([C@@H]2C[C@H]2NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 437226406 GYHMDPMDCGFLFN-FCHUYYIVSA-N 434.496 4.141 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C 440064695 SRULZQFIQKCDCT-SMNXXWJPSA-N 431.876 4.099 5 20 IIBD O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccc(CNC(=O)c2cccs2)cc1 440629314 XZGKRGXDVIWEBK-UHFFFAOYSA-N 432.461 4.387 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 443747401 NLWYVTWGNKCCQU-LLVKDONJSA-N 439.852 4.097 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](CO)Cc1cccc(OC(F)(F)F)c1 443961434 PQYGSQNPWCTANL-HNNXBMFYSA-N 441.406 4.083 5 20 IIBD COc1ccc(O[C@H](C)CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc1 444092484 DVAFMAPITGQFNH-CYBMUJFWSA-N 438.430 4.165 5 20 IIBD O=C(N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 444288765 MBRYPJUYDKQYMA-AWEZNQCLSA-N 449.869 4.009 5 20 IIBD CC[C@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCN1Cc1ccccc1 444321861 URZXIDWNUTWOOY-NRFANRHFSA-N 425.532 4.418 5 20 IIBD Cc1ccc(CS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1Br 445559764 VKASBWCVGMILCQ-UHFFFAOYSA-N 449.120 4.402 5 20 IIBD CCN(C(=O)Cc1noc([C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n1)c1ccccc1 445676004 MMZIXPZOZKPXTR-CYBMUJFWSA-N 430.848 4.367 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCCC[C@@H]2c2ccco2)c(Br)c1 447021937 BBPNUCHQPVLBSS-CQSZACIVSA-N 429.292 4.256 5 20 IIBD O=C(Nc1cc(-c2cccc(F)c2)on1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 448545029 XHOIQUISWIURFL-UHFFFAOYSA-N 425.294 4.582 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N[C@](C)(CO)C2CCCCC2)cc1[N+](=O)[O-])c1ccccn1 460496857 MQTINOAXAGUJFG-WAIKUNEKSA-N 426.517 4.224 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@@H]3c3cccc(F)c3)n2C[C@@H]2CCOC2)c1 461366040 MDPOZDXBLYBPGB-HRAATJIYSA-N 437.475 4.370 5 20 IIBD Cc1cccnc1-c1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1C[C@H]1CCCCO1 461809890 JFCZDTPQGWBAPK-OAQYLSRUSA-N 448.527 4.295 5 20 IIBD C[C@H]1CCCN(c2ccc(C(=O)N3CCC(c4noc(C5CC5)n4)CC3)cc2[N+](=O)[O-])C1 462902069 ZDFQQQOKDRIRFA-HNNXBMFYSA-N 439.516 4.111 5 20 IIBD O=C(NCC(=O)N1CCc2c(-c3ccccc3)cccc21)c1c(Cl)cccc1[N+](=O)[O-] 463900283 DMOLFNZXLYXGRS-UHFFFAOYSA-N 435.867 4.234 5 20 IIBD COc1ccc(Br)c(CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1 466555696 NNGDZCREMSDLKN-UHFFFAOYSA-N 428.670 4.019 5 20 IIBD O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccn(-c2cccc(Br)c2)n1 469229438 SJMUVZCYIAKALF-UHFFFAOYSA-N 438.241 4.344 5 20 IIBD Cc1cnn(Cc2ccccc2F)c1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 470187765 JRLKIXZFROEVMJ-CYBMUJFWSA-N 432.839 4.347 5 20 IIBD COCCN(C(=O)c1ccnn1-c1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 470741064 SMMIFNVTAWUHFA-UHFFFAOYSA-N 449.492 4.197 5 20 IIBD CCOc1cc(C(=O)Nc2cc(F)c(Br)cc2C)c([N+](=O)[O-])cc1OC 471529747 ICDCRZLIJJORMR-UHFFFAOYSA-N 427.226 4.464 5 20 IIBD C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 473536959 ZNVOCYHLOJWANT-INZIPBBXSA-N 432.545 4.112 5 20 IIBD CN(CC1CCN(c2ccncc2)CC1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 475194259 LHEVGDLFJFHSPL-UHFFFAOYSA-N 437.422 4.389 5 20 IIBD Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)c(=O)n(-c2ccccc2)n1C 478910161 HTVJWSXODRUUIK-UHFFFAOYSA-N 440.525 4.393 5 20 IIBD C[C@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccc(NC(N)=O)cc1 480247259 GNWNXAJWHCWTGW-HNNXBMFYSA-N 433.468 4.189 5 20 IIBD Cc1c(CNC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] 481471734 AIQZZMAIWNMQAB-FXAWDEMLSA-N 449.429 4.148 5 20 IIBD Cc1ccccc1OCCCC(=O)Nc1ccc(CNC(=O)c2ccc([N+](=O)[O-])o2)cc1 482815029 VQTTVGXCKMKXQN-UHFFFAOYSA-N 437.452 4.224 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N[C@@H](c2nccc(C)n2)C2CC2)c([N+](=O)[O-])c1 485988954 JAEOFQQCNVDSQQ-OAQYLSRUSA-N 446.463 4.274 5 20 IIBD Cc1cc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])n(Cc2ccccn2)n1 486174907 IXBRNGWBXCYPSN-UHFFFAOYSA-N 443.463 4.374 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)c(C)c([N+](=O)[O-])c1 486857459 KEKHNOZIBMSAJM-HNNXBMFYSA-N 447.316 4.393 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CCC[C@H]2CC2CCCCC2)cc1[N+](=O)[O-] 489384367 JJJFJBBNXDQKAB-KRWDZBQOSA-N 429.546 4.450 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OC(F)F)c3ncccc23)cc1OC 490007913 FTNJLFXEQOCFHS-UHFFFAOYSA-N 433.367 4.404 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)O[C@H](C)C1 490435130 IFMMDNAQRSEPJZ-SJKOYZFVSA-N 444.431 4.073 5 20 IIBD CCn1c(SCC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)nnc1-c1cccs1 493050693 JVMUGYKGXUKQQN-UHFFFAOYSA-N 443.554 4.218 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)Cc1cc(Br)ccc1Cl 494580185 SCTYHCUDCDKVPP-UHFFFAOYSA-N 442.697 4.361 5 20 IIBD Cc1c(NC(=O)[C@@H](C)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] 497470563 KAVBPVWBMLSHDI-OAHLLOKOSA-N 429.904 4.479 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 498409266 JHXLECHPWVCLJO-UGKGYDQZSA-N 430.508 4.270 5 20 IIBD O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCCC[C@H]2c2ncc(-c3cccc(F)c3)[nH]2)c1 502768986 CODOXBNFSDRVJB-UGKGYDQZSA-N 440.475 4.091 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(O[C@H]3CCCC[C@H]3O)cc2)cc1[N+](=O)[O-] 505186091 UJDRZGVPHJLAAO-CTNGQTDRSA-N 446.525 4.158 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3nccc4ccccc34)no2)c(I)c1 507696717 CKIFBZWSQFVGHK-UHFFFAOYSA-N 444.188 4.465 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCCCn3ccnc3C)c([N+](=O)[O-])c2)c(C)c1 509488274 WHCVKANGHALOBA-UHFFFAOYSA-N 443.529 4.020 5 20 IIBD COC(=O)c1c(F)cc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc1F 512572466 HJOCSSAZIQXCDY-STQMWFEESA-N 447.438 4.394 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2C(=O)N[C@@](C)(c3ccsc3)C2=O)cc1OC 513645039 GZPXITGZCGFQDE-ASSNKEHSSA-N 447.513 4.057 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2C(=O)N[C@](C)(c3ccsc3)C2=O)cc1OC 513645040 GZPXITGZCGFQDE-LRTDBIEQSA-N 447.513 4.057 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCC(c2nc3ccccc3[nH]2)CC1 514433401 QQFJPHWXGDDUBS-UHFFFAOYSA-N 448.401 4.432 5 20 IIBD COc1ccc(CNC(=O)N[C@@H](COc2ccccc2F)c2ccccc2)cc1[N+](=O)[O-] 515454148 MRVNSUAATIMTTC-IBGZPJMESA-N 439.443 4.362 5 20 IIBD CCCCc1c(C)nc2nc(SCc3nc(-c4cccc([N+](=O)[O-])c4)no3)nn2c1C 515565570 IWYOOLKPJYZYEA-UHFFFAOYSA-N 439.501 4.334 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc4c(c3)CCC(=O)N4C)cc2[N+](=O)[O-])C1 519137757 NWNGHOMYWMXFIL-HOTGVXAUSA-N 436.512 4.238 5 20 IIBD O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCC(OC[C@@H]2CCOC2)CC1 519720209 DEDLHWUYUGGZGK-QGZVFWFLSA-N 442.537 4.404 5 20 IIBD COCCN([C@@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C 520155583 NIZOVOBUOPQDCR-AWEZNQCLSA-N 446.447 4.320 5 20 IIBD CC(C)(NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1nccs1 522543099 IDZLOQPRLXCCNW-UHFFFAOYSA-N 447.520 4.498 5 20 IIBD O=C(c1ccc(-c2nc3ccccc3s2)o1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 522856701 MLEKGLDONLLBGM-CYBMUJFWSA-N 435.465 4.186 5 20 IIBD O=C(Nc1cccc(C[S@@](=O)C2CCCCC2)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 523963764 ABQZFOIKUCVUKN-WJOKGBTCSA-N 444.509 4.200 5 20 IIBD CN(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1Cl 524143546 AUQSCIAFFJSQLG-MRXNPFEDSA-N 426.698 4.043 5 20 IIBD COc1ccc(CSCC(=O)N2CCC(COc3ccccc3)CC2)cc1[N+](=O)[O-] 524710330 QZUCGLSWNKZEGT-UHFFFAOYSA-N 430.526 4.154 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Oc2ccnc3ccccc23)c1 531080105 DJXHZSNRXZVALU-UHFFFAOYSA-N 442.431 4.190 5 20 IIBD COc1cc(CNc2cccc(C[S@@](C)=O)c2)c([N+](=O)[O-])cc1OCC(F)(F)F 532748271 DUIIZAAYOUXBTB-GDLZYMKVSA-N 432.420 4.035 5 20 IIBD Cc1ccc([C@H](C)NC(=O)c2cccc(F)c2I)cc1[N+](=O)[O-] 533077056 QZZJDUVDMHCEIT-JTQLQIEISA-N 428.201 4.138 5 20 IIBD O=C(C[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)c1ccco1 535906312 RAEMBYQYAMPLLX-QGZVFWFLSA-N 436.420 4.094 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)c1 538416063 SAWURVMVLFLNCV-IBGZPJMESA-N 449.301 4.035 5 20 IIBD Cn1cc(CNc2cnn(-c3ncc(Cl)cc3Cl)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 538612199 ZAMKIZWJUPUMTB-UHFFFAOYSA-N 444.282 4.495 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC=C(c2ccc3c(c2)OCCO3)CC1 538931195 GQPPCOZHHFYILK-UHFFFAOYSA-N 444.871 4.104 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 543174837 IMPIMIMWHLZXLA-CQSZACIVSA-N 430.530 4.028 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccn(Cc2ccc(F)cc2)c1=O 544098423 ISRCZVQHSRLHAF-UHFFFAOYSA-N 447.875 4.328 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-n2cc(Br)cn2)cc1 546665255 XQOFEVFBBRDQED-UHFFFAOYSA-N 431.246 4.194 5 20 IIBD CCOC(=O)C[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1cccc(OC)c1 547706005 GIEAKXNDARAAKC-HSZRJFAPSA-N 444.487 4.114 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 553270006 WTOJUSLJKXMVQT-VAMGGRTRSA-N 435.480 4.078 5 20 IIBD O=C(Nc1cc2n(n1)CCCC2)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 553334014 RKNXFKBVDNVGGT-UHFFFAOYSA-N 425.876 4.645 5 20 IIBD COc1ccc(C[C@](C)(O)CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1OC 566626900 RYRLPDUYTYJTLA-QHCPKHFHSA-N 442.537 4.424 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 566709158 FOBSRULBHHVCMK-TYPHKJRUSA-N 432.904 4.402 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1cncc(Cl)c1Br 571783775 FWWAKRQFXCAXNO-UHFFFAOYSA-N 449.486 4.349 5 20 IIBD CCOC(=O)c1c(NC(=O)CSc2ccccc2[N+](=O)[O-])sc2c1CCSC2 572558165 VDJMJTIICKJOKQ-UHFFFAOYSA-N 438.552 4.353 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H](c1cncc(Br)c1)C1CC1 574091880 LOFKWIPXYZQAOW-LJQANCHMSA-N 429.274 4.044 5 20 IIBD COCCOc1ccccc1-c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 581037274 FNVMEBXTGFLQDN-UHFFFAOYSA-N 434.246 4.023 5 20 IIBD C[C@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1nccn1-c1ccccc1 582259382 LDFBNSWOUAGOJK-KRWDZBQOSA-N 435.484 4.095 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)c1 584673220 OUQLTGDOUPULTE-UHFFFAOYSA-N 443.428 4.462 5 20 IIBD O=C(COC(c1ccccc1)c1ccccc1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 603763584 QYZXRMDKJIXYQS-UHFFFAOYSA-N 431.492 4.050 5 20 IIBD C[C@H](NC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1)c1cccc([N+](=O)[O-])c1 603966358 MREXABNUJDXCOC-PXNSSMCTSA-N 431.492 4.478 5 20 IIBD COC(=O)c1c(C)cccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1Nc1ccccc1 604513636 PISJAWSHBUMIPN-UHFFFAOYSA-N 441.465 4.234 5 20 IIBD Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 608946202 UDTXEJLXAZIYHN-UHFFFAOYSA-N 425.466 4.091 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(OCc2cccc(F)c2)cc1C 609068880 VOIJRQQPEDRKRV-UHFFFAOYSA-N 446.456 4.431 5 20 IIBD COC(=O)c1ccccc1N(C)C(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 609096020 RPVMHNKNTUGODX-HOTGVXAUSA-N 425.485 4.140 5 20 IIBD Cc1ccc([C@H](NC(=O)CCn2cc([N+](=O)[O-])nc2C)c2ccc(F)cc2Cl)cc1 609374306 OYOFSZLNYUAYBB-NRFANRHFSA-N 430.867 4.497 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H](C)c2nc(-c3ccncc3)cs2)cc1[N+](=O)[O-] 609526538 ZYZMOXANCCOFKK-ZDUSSCGKSA-N 444.538 4.233 5 20 IIBD O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 609599953 BIZYNJYPGCUAPN-UHFFFAOYSA-N 432.402 4.053 5 20 IIBD CCc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c([N+](=O)[O-])c1 609650845 GMZUNOQBIDFAEN-UHFFFAOYSA-N 425.466 4.489 5 20 IIBD NC(=O)c1ccc(SCC(=O)Nc2nc(/C=C\c3ccccc3)cs2)c([N+](=O)[O-])c1 609757041 FYRHVTINFTUEMN-VURMDHGXSA-N 440.506 4.051 5 20 IIBD O=[N+]([O-])c1ccc(Oc2cccc(NS(=O)(=O)c3ccc4nc(O)oc4c3)c2)cc1 609761634 XXQJZTCMPBTPHM-UHFFFAOYSA-N 427.394 4.035 5 20 IIBD CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 609865817 IOAKGOLZVJBKAO-RNODOKPDSA-N 428.876 4.155 5 20 IIBD O=[N+]([O-])c1ccc(OCc2nnc(-c3ccc(Br)o3)o2)c(Br)c1 610000294 XAZSJVGFYAVRPD-UHFFFAOYSA-N 445.023 4.342 5 20 IIBD CCSCc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 610179978 QAICZKVNQZGXCV-HXUWFJFHSA-N 427.526 4.400 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N1CC[C@H]1c1cccc(F)c1 610282451 XGHPDMJHWCCEES-IBGZPJMESA-N 433.505 4.250 5 20 IIBD COC(=O)C1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CC1 611204421 ZNWRMHWZRPUEEV-UHFFFAOYSA-N 445.903 4.322 5 20 IIBD COc1cc(C(=O)N2CCCOc3ccccc32)c([N+](=O)[O-])cc1OCc1cscn1 611526761 KFYLUJMSJPSHOE-UHFFFAOYSA-N 441.465 4.068 5 20 IIBD O=C(N[C@@H]1COc2cc(F)cc(F)c21)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 618690724 PSMVMSHFMTXMSF-GOSISDBHSA-N 426.375 4.316 5 20 IIBD CC(C)[C@H](OC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)C(N)=O 725914436 RVDDEOGHAFVBGE-INIZCTEOSA-N 431.495 4.022 5 20 IIBD C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 726230369 NAUSSTZCMDTSOT-AWEZNQCLSA-N 445.907 4.387 5 20 IIBD O=C(CCc1ccc(Cl)c(Cl)c1)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 726325157 COIOBOOVFJMYLN-UHFFFAOYSA-N 445.686 4.461 5 20 IIBD C[C@H](OC(=O)[C@H](OC1CCCC1)c1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 727015363 CQHVMCAULQPAEO-VBKZILBWSA-N 430.432 4.305 5 20 IIBD O=[N+]([O-])c1ccc(-c2cnn(CN3CCO[C@@H](c4ccccc4Br)C3)c2)cc1 728901025 UYFOPFQLDQTYLE-HXUWFJFHSA-N 443.301 4.252 5 20 IIBD O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)c1cc([N+](=O)[O-])ccc1N1CCCC1 729383302 YIHCRFWWRLPJND-UHFFFAOYSA-N 442.369 4.122 5 20 IIBD C[C@@H](OC(=O)Cc1coc(-c2cccs2)n1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 730057798 JYPGZUADQWZPIR-LLVKDONJSA-N 426.410 4.208 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCC[C@@H]1c1cccc2ccccc12 731617867 SVEZKZQAOPTKMA-HXUWFJFHSA-N 434.448 4.312 5 20 IIBD CSc1ccc(N(C)C(=O)c2ccc(I)c([N+](=O)[O-])c2)cc1 732939070 JOMICKQVTJGADV-UHFFFAOYSA-N 428.251 4.198 5 20 IIBD C[C@H](CC(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 738748188 YEIHVXIFLNUJOR-LLVKDONJSA-N 428.338 4.428 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCn2c(Cc3ccccc3)nnc2C1 742412820 HFKQNLGGTJRAHY-UHFFFAOYSA-N 437.809 4.470 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 742418658 TVBZLASJCOUADZ-VQIMIIECSA-N 446.548 4.326 5 20 IIBD Cc1nc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c2cnn(-c3ccccc3)c2n1 742425093 FJQNMDTWHNZVPS-UHFFFAOYSA-N 430.468 4.080 5 20 IIBD COc1ccc(C2=N/C(=C\c3cn(-c4ccc(Cl)cc4)nc3C)C(=O)O2)cc1[N+](=O)[O-] 743280792 JCJSECUBVCEAPF-MFOYZWKCSA-N 438.827 4.095 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)c2ccc3c(c2)CCC3)c([N+](=O)[O-])cc1OC(F)F 744534483 ROWJYOYLKKUBGY-LLVKDONJSA-N 435.379 4.122 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)[C@@H](C)c2ccc(Br)s2)cccc1[N+](=O)[O-] 745644283 YKXKJJJGPMWDDP-WDEREUQCSA-N 441.303 4.401 5 20 IIBD O=C(OCc1nc(-c2cccc(Cl)c2)no1)c1cc([N+](=O)[O-])ccc1N1CCCC1 746095256 IRXOLHVVOMNUIO-UHFFFAOYSA-N 428.832 4.255 5 20 IIBD O=C(OCCOc1ccccc1C(F)(F)F)C1CCN(c2ccccc2[N+](=O)[O-])CC1 747918038 FJUQRIUAROKGSB-UHFFFAOYSA-N 438.402 4.452 5 20 IIBD CCn1ncc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1-c1ccccc1 755721728 HOXYEWPFXGYIOY-CYBMUJFWSA-N 442.859 4.316 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N(Cc1ccccc1)C[C@@H](O)c1ccco1 757256174 MNNYTBJIHOTVCJ-LJQANCHMSA-N 429.860 4.287 5 20 IIBD Cc1cc(-c2noc([C@H](C)NC(=O)c3cccc([N+](=O)[O-])c3Br)n2)ccc1F 758677403 BKKSVRTVZPQUNI-JTQLQIEISA-N 449.236 4.346 5 20 IIBD CC(C)CC(=O)Nc1ccc(C(=O)O[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1F 759948430 YSYRRLMLTKBMFH-MSOLQXFVSA-N 432.452 4.256 5 20 IIBD O=C(O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1csc(Cc2ccccc2F)n1 759956943 ZEWOTOZCSZEJCQ-DLBZAZTESA-N 430.461 4.318 5 20 IIBD Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cc1NC(=O)CN1CCCCC1 764216408 RYDSIPDZOZKTTR-UHFFFAOYSA-N 430.892 4.233 5 20 IIBD C[C@@H](OC(=O)c1ccccc1CS(=O)(=O)c1ccccc1)c1ccccc1[N+](=O)[O-] 764596390 JSKVCIAGNMDTAL-MRXNPFEDSA-N 425.462 4.487 5 20 IIBD CNC(=O)c1cc(Oc2cccc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2)ccn1 766710063 FJOKDDZHXVRPDO-UHFFFAOYSA-N 427.800 4.014 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(Cl)nc1C(F)(F)F 769209776 DQQSBUKOOPIQGT-UHFFFAOYSA-N 428.710 4.069 5 20 IIBD CN(Cc1c(Br)cccc1[N+](=O)[O-])[C@@H](CO)c1cccc(Br)c1 769528614 UGCOUPWVBBYGLN-INIZCTEOSA-N 444.123 4.285 5 20 IIBD COc1cc(CNc2ccc(N3CCOC3=O)cc2)c([N+](=O)[O-])cc1OCC(F)(F)F 770494056 HJRMQKUWHBUUFN-UHFFFAOYSA-N 441.362 4.113 5 20 IIBD O=C(NS(=O)(=O)C1CCC1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 774306029 QGRKBYJBRWXWTP-UHFFFAOYSA-N 426.903 4.012 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCN(C2CC2)c2ccc(F)cc21 775376533 DETVAESJOUJZHA-UHFFFAOYSA-N 438.228 4.265 5 20 IIBD CSc1cccc(C(=O)N[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)OCc2ccccc2)c1[N+](=O)[O-] 776874875 OZZZTQZQARAJPV-XAMWDVODSA-N 440.521 4.205 5 20 IIBD CC(=O)c1ccc(N2CCOC[C@@H]2c2c(C)nn(Cc3ccccc3)c2C)c([N+](=O)[O-])c1 779608563 DXVIKBFTVOTQOG-HSZRJFAPSA-N 434.496 4.237 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Oc1c(F)cc(F)cc1Br 784381291 ZOPDLEMEADUGDK-UHFFFAOYSA-N 428.594 4.057 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2[C@@H](NC(=O)OC(C)(C)C)CCC[C@H]2C1 784566873 WINCAYXLNAWDKN-SAKMYQHLSA-N 449.573 4.227 5 20 IIBD COC(=O)N(C)c1ccc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 785737547 TXGLXQNWRKEFDI-UHFFFAOYSA-N 426.351 4.138 5 20 IIBD O=C(CN1CCC[C@@H]1c1ccc(Br)cn1)Nc1ccc(Cl)c([N+](=O)[O-])c1 787688109 NNIGQSUQYRUZPI-OAHLLOKOSA-N 439.697 4.181 5 20 IIBD C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 789648286 NFJXNOKKTFSUEX-NEPJUHHUSA-N 449.847 4.192 5 20 IIBD CC(C)N1CCN(c2cccc(NC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])c2)CC1 790559108 LSFDBOKDSUPUAV-UHFFFAOYSA-N 434.899 4.099 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1cccc(-c2ccc(F)cc2Cl)n1 794060553 PEVZYEQZRWYNIN-UHFFFAOYSA-N 425.800 4.389 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)N1CC[C@@H](C)Sc2ccccc21 795710489 HLXQHLPSNGCCAF-CQSZACIVSA-N 430.482 4.068 5 20 IIBD O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 798126378 WDXJTOFZASQVKW-UHFFFAOYSA-N 430.464 4.351 5 20 IIBD CSc1cccc(F)c1C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 798753650 OAGZJNALTZHWEQ-UHFFFAOYSA-N 432.351 4.270 5 20 IIBD CCOC(=O)N1CCCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 799595177 ZRSLXXWPOUVFOF-UHFFFAOYSA-N 429.498 4.050 5 20 IIBD CC(C)[C@H](NC(=O)COC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 800776292 HRGKNGZICGZSDU-SFHVURJKSA-N 435.274 4.028 5 20 IIBD CCn1ncnc1COC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 801210578 PBNWKQGNFAXWRY-UHFFFAOYSA-N 432.820 4.018 5 20 IIBD COc1ccccc1O[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Br)C1 803601258 IJFCQKIIJJRPDL-CQSZACIVSA-N 435.274 4.050 5 20 IIBD COCCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1OC 804328681 UQXPHDOLXXGKIU-UHFFFAOYSA-N 443.500 4.261 5 20 IIBD O=[N+]([O-])c1ccc(NS(=O)(=O)c2cccc(Cl)c2Br)cc1Cl 808553814 IVIKTKLEHPFMEG-UHFFFAOYSA-N 426.075 4.465 5 20 IIBD O=C(OCc1c(F)cccc1[N+](=O)[O-])C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1 808613681 VPBNVBVCYAUJBP-UHFFFAOYSA-N 439.436 4.093 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@@H](c2ccccc2)[C@H](O)c2ccccc2)c(C)c([N+](=O)[O-])c1 808848247 VYAHRESEFPPRIS-FCHUYYIVSA-N 449.463 4.286 5 20 IIBD CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] 808866814 CXQUOGRRWJJUDV-LJQANCHMSA-N 447.438 4.137 5 20 IIBD CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2cscc2C(F)(F)F)NC(=S)N1 811674332 UIXYKMVUZNLKSW-AWEZNQCLSA-N 442.444 4.107 5 20 IIBD C[C@H](C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(Br)c1 812608767 USSIROVDISBHPC-JTQLQIEISA-N 441.665 4.296 5 20 IIBD CCOc1cc(NC(=O)NC[C@@H]2CCN(c3ccccc3F)C2)c([N+](=O)[O-])cc1OCC 812918853 FHDIVIXSYOKIAY-HNNXBMFYSA-N 446.479 4.179 5 20 IIBD Cc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1N1CCCS1(=O)=O 813018488 SVIPQYPTNBSVLV-UHFFFAOYSA-N 444.296 4.002 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 814239246 BEFNBYGUMLINKD-UHFFFAOYSA-N 446.503 4.392 5 20 IIBD C[C@@H](OC(=O)c1cnc2c(F)ccc(F)c2c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 815355017 LRYZTGRKTOSKNI-SNVBAGLBSA-N 426.335 4.389 5 20 IIBD O=C(c1cc([N+](=O)[O-])c2nsnc2c1)N1CC[C@@H](Cc2ccc(Br)cc2)C1 817768308 KBMJHNBRULIYOE-LBPRGKRZSA-N 447.314 4.067 5 20 IIBD O=C(CSc1nnc(C2CC2)n1Cc1ccco1)Nc1cc(Cl)ccc1[N+](=O)[O-] 843899211 DDAZVDAWFOQCAG-UHFFFAOYSA-N 433.877 4.089 5 20 IIBD CC(C)(C)c1nc(CN2CCN(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC2)cs1 916669203 SWBDAXLQZXPZJD-UHFFFAOYSA-N 437.953 4.352 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 917286155 VPAQIMWVPKVQNK-JOCHJYFZSA-N 433.416 4.415 5 20 IIBD Cc1cc(Br)oc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 919379570 DZTJNUDJYSAPCW-MRVPVSSYSA-N 431.626 4.096 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(N3CCc4[nH]c5c(Br)cccc5c4C3)cc2N1 919964706 DSMUDZJUAALYJN-UHFFFAOYSA-N 441.285 4.286 5 20 IIBD O=C(CC(c1ccccc1)c1ccccc1)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 920331774 PXRYWCYHSPLYGF-UHFFFAOYSA-N 444.896 4.275 5 20 IIBD O=C(CN1Cc2ccc([N+](=O)[O-])cc2C1)Nc1ccc(Br)c(C(F)(F)F)c1 1116161019 FWVYYHLUADAIPE-UHFFFAOYSA-N 444.207 4.330 5 20 IIBD O=C(CCc1nc2ccccc2s1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 1257267376 FMZHLXPFAFXXPU-UHFFFAOYSA-N 446.326 4.485 5 20 IIBD C[C@@H](CCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N(C)C(=O)OC(C)(C)C 1318531928 SANAVZHIMHFBDW-ZDUSSCGKSA-N 434.518 4.094 5 20 IIBD CC(=O)NCc1ccc(-c2csc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])n2)cc1 1318955832 IKASNHSGMVLKHV-UHFFFAOYSA-N 430.873 4.260 5 20 IIBD O=C(COC(=O)c1ccc(Oc2ccc(Cl)cn2)cc1)Nc1ccccc1[N+](=O)[O-] 1321747895 VZGFDLBTDFUDHM-UHFFFAOYSA-N 427.800 4.231 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1-c1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1 1323957255 ZBRGMRHQXLXTFD-UHFFFAOYSA-N 442.497 4.022 5 20 IIBD Cc1cccnc1C(=O)Nc1ccc(C2(NC(=O)Cc3cccc([N+](=O)[O-])c3)CCC2)cc1 1786499067 SAHHAJVDLFNCJW-UHFFFAOYSA-N 444.491 4.289 5 20 IIBD Cc1ncc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])o4)CCC3)cc2)s1 1788863213 FAJIVVUOIQXJOM-UHFFFAOYSA-N 426.454 4.014 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@H]3CCC(F)(F)C3)CCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 1790183808 SYWJZQQHDXRKIJ-ZDUSSCGKSA-N 432.427 4.106 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1)c1ccnc(Cl)c1 1790184480 NZWZHQPUKDDPTC-UHFFFAOYSA-N 439.859 4.033 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)NC1(c2ccc(NC(=O)[C@@H]3[C@H]4C=CS[C@H]43)cc2)CCC1 1791083549 DXICJWYQPZNIGH-CEMLEFRQSA-N 449.532 4.147 5 20 IIBD Cc1c[nH]cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 1797028217 PDAADFISDYJHCZ-MUJYYYPQSA-N 438.509 4.012 5 20 IIBD Cc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCC2CCCC2)C3)cc1[N+](=O)[O-] 1800137227 CYVQPTKSWKPWNE-WKCHPHFGSA-N 427.545 4.054 5 20 IIBD O=C(CCC1CCCC1)N1CCCC2(CCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)CC2)C1 1808953552 IKIABBSZGYBLPB-UHFFFAOYSA-N 443.544 4.116 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2CCCC2)[nH]n1 1821283216 LZXIVWSKGKYTCT-SFHVURJKSA-N 443.479 4.262 5 20 IIBD C[C@@H]1CCC[C@H]1C(=O)N1CCCC12CN(C(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 1843968659 GNTRHZHNZCPNPC-RHSMWYFYSA-N 427.526 4.063 5 20 IIBD O=C(COC(=O)COc1ccc2oc3ccccc3c2c1)Nc1cc([N+](=O)[O-])ccc1F 9785849 XXHSIKXGVIHCIE-UHFFFAOYSA-N 438.367 4.194 5 20 IIBD O=C(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1ccccc1C(F)(F)F 10734129 USNHCQSAJPTOCH-UHFFFAOYSA-N 437.374 4.009 5 20 IIBD Cc1c(C(=O)OCC(=O)NCCC(c2ccccc2)c2ccccc2)cccc1[N+](=O)[O-] 11397512 FADBBVBCAIGHAK-UHFFFAOYSA-N 432.476 4.398 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 16516030 QSUALVXSEUWCBT-UHFFFAOYSA-N 430.439 4.446 5 20 IIBD NC(=O)N[C@@H](CC(=O)OCc1cccc([N+](=O)[O-])c1)c1cccc(Oc2ccccc2)c1 21096904 UBJVNUAABGNXRF-NRFANRHFSA-N 435.436 4.230 5 20 IIBD C[C@H](OC(=O)COc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 22512021 ZCTDREXXBLCBHJ-RYUDHWBXSA-N 441.267 4.090 5 20 IIBD Cc1ccc(C(=O)N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)cc1[N+](=O)[O-] 24918905 NTDBSXALCQYPIY-UHFFFAOYSA-N 440.500 4.124 5 20 IIBD O=C(COC(=O)c1ccc(-c2ccccc2Cl)o1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 26566565 ZWZODDHMWUXWPW-UHFFFAOYSA-N 444.783 4.032 5 20 IIBD O=C(NC[C@@H](c1ccccc1)N1CCOCC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 30701257 PKECDJFSTWTUHV-DEOSSOPVSA-N 446.507 4.142 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 32001180 VSGOPWCCFDLOMY-UHFFFAOYSA-N 431.514 4.482 5 20 IIBD Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc([N+](=O)[O-])cc2I)s1 78609441 XMIMCUDZHSISCI-SECBINFHSA-N 445.282 4.106 5 20 IIBD O=C(CCc1ncc(-c2ccccc2F)o1)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 107691595 LLOUPHHQADZNTC-UHFFFAOYSA-N 438.371 4.115 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@@H](c2ccc(Br)cc2)C1 109042933 ZGWOPVSXQBCJNO-MRXNPFEDSA-N 425.666 4.224 5 20 IIBD O=C(NCc1nc2ccccc2[nH]1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 247331529 OZUIACNVUIXLET-UHFFFAOYSA-N 447.417 4.023 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NC[C@H](O)c1ccc(Cl)cc1 301064906 HGFIFYQOLWBBHE-FQEVSTJZSA-N 447.900 4.195 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)c([N+](=O)[O-])c1 303491929 SIXGOGDEHXHKMJ-CQSZACIVSA-N 440.475 4.430 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1cc(F)c(Br)cc1F 323194462 NLYFQVIYTBHGOJ-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD O=C(Nc1cccc(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1)c1ccc(F)cc1 409898488 GHBOTFYFQONKCA-UHFFFAOYSA-N 432.411 4.398 5 20 IIBD CS(=O)(=O)c1cc(C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc([N+](=O)[O-])c1 409942051 CUSFRHTXAQEITD-UHFFFAOYSA-N 443.462 4.120 5 20 IIBD CCC[C@]1(CO)CCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 426138535 IQQMRRVMTBWHNE-QFIPXVFZSA-N 445.903 4.125 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@@H]1CCCOc2cc(F)ccc21 426242793 XYQONHGVBRYHFK-MRXNPFEDSA-N 427.354 4.466 5 20 IIBD COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1OC)CC2 427116783 XRFBEKORCQDMPR-DEOSSOPVSA-N 448.475 4.409 5 20 IIBD Cc1ccc([C@H](C)NC(=O)Nc2nnc(SCc3ccccc3)s2)cc1[N+](=O)[O-] 429221871 PDYVFINEEDIKSI-ZDUSSCGKSA-N 429.527 4.930 5 20 IIBD COc1ccc(NC(=O)C(=O)Nc2ccc(C(C)(C)C(F)(F)F)cc2)cc1[N+](=O)[O-] 429924566 LIXJCKPYGUATJA-UHFFFAOYSA-N 425.363 4.021 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3c(C)cc(N(C)C)cc3C)CC2)ccc1[N+](=O)[O-] 432266386 FGSMOXKFCCVVFX-UHFFFAOYSA-N 441.532 4.030 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)cc1 435445021 ULWTUUCUUJLVHS-UHFFFAOYSA-N 434.520 4.463 5 20 IIBD COc1ccc(C(=O)C2CCN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CC2)cc1 435880862 MLCGEYJIBDMNKA-UHFFFAOYSA-N 440.499 4.425 5 20 IIBD Cc1c(C(=O)N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)nnn1-c1cccc([N+](=O)[O-])c1 437521103 DJHAVSYBAUSZFG-KOMQPUFPSA-N 445.401 4.179 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)Nc2ncc(C(C)(C)C)s2)cc1[N+](=O)[O-] 438786917 UYUCISZLVOTJLZ-UHFFFAOYSA-N 434.337 4.221 5 20 IIBD CC(C)c1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1[N+](=O)[O-] 439409950 KBKSKFPJMVKHEC-HNNXBMFYSA-N 430.892 4.258 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1CC[C@@H]([C@@H]2CCOC2)C1 441657584 JPCQIFWLCHYYGS-LZJOCLMNSA-N 429.904 4.286 5 20 IIBD CCOCCO[C@H]1CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 441736794 BYVRWQMLJLEWAN-SFHVURJKSA-N 447.919 4.128 5 20 IIBD CCO[C@H]1C[C@@](O)(CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1(C)C 442750614 GQIBETINUICXRN-SIKLNZKXSA-N 430.526 4.042 5 20 IIBD CC[C@@]1(C)Oc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2O1 443577893 RZALKHMXXUONHP-MBSDFSHPSA-N 439.468 4.044 5 20 IIBD C[C@@H](NC(=O)N1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1)c1cccc([N+](=O)[O-])c1 445696912 LIDGQXWQSZOETQ-QAPCUYQASA-N 436.468 4.006 5 20 IIBD CCOCCOc1cc(C)ccc1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] 445940247 ZHUYEEARTNLKDP-UHFFFAOYSA-N 437.290 4.011 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)c1 460967237 YXWDCJNIYHIMRE-KRWDZBQOSA-N 431.448 4.231 5 20 IIBD C[C@@H](C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1cccc(C(=O)c2ccccc2)c1 461398554 GRFMZSCBFKZGMV-QGZVFWFLSA-N 430.460 4.351 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@@H]4CCC[C@@H]43)cc2)cc1[N+](=O)[O-] 461489634 QOHUWMMUWZYCGP-JXFKEZNVSA-N 443.525 4.109 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@H]1CCCO[C@@H]1c1ccccc1 462556265 SXLDGEGPRSKQSZ-CXAGYDPISA-N 445.324 4.348 5 20 IIBD COc1cc(N[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] 462959176 SDMGNFDWXLMZQO-OAQYLSRUSA-N 448.447 4.487 5 20 IIBD C[C@@H]1CCCN(c2cc(C(=O)N(Cc3ccccc3[N+](=O)[O-])CC(F)(F)F)ccn2)C1 463428919 GWQBYVUDQONSFQ-OAHLLOKOSA-N 436.434 4.431 5 20 IIBD O=C(Nc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1F)c1cccc(Cl)c1 463445609 VVXNLGKQUKNFHM-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cc3nnc4n3CCCCC4)cc2)c1 464117308 SFCWKTWCJMENCL-UHFFFAOYSA-N 437.525 4.478 5 20 IIBD CC(C)(C)c1nc2ccc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)cc2s1 464178548 DSBPGTKATJBQAJ-UHFFFAOYSA-N 426.498 4.261 5 20 IIBD COc1ccc(S(=O)(=O)NCC[C@@H](C)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 467784771 IITFVOUYYDDINS-GFCCVEGCSA-N 432.420 4.094 5 20 IIBD NC(=O)c1ccc(SCC(=O)Nc2cc(Cl)ccc2OCC2CCC2)c([N+](=O)[O-])c1 468180927 UVEYXVMUDJFKBO-UHFFFAOYSA-N 449.916 4.257 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1Oc1cc(F)cc(F)c1 469171922 GXUNZROZCOZGTG-CYBMUJFWSA-N 441.390 4.422 5 20 IIBD COc1ccc(-n2c(SCCn3cc([N+](=O)[O-])cn3)nnc2-c2cccc(C)c2)cc1 470844393 HYSBYXOIVBBDTE-UHFFFAOYSA-N 436.497 4.148 5 20 IIBD COC(=O)c1nc([C@H]2CCCN2C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)sc1C 471904201 AQPSUHBVWYOVCU-QGZVFWFLSA-N 446.529 4.016 5 20 IIBD COc1cccc(C=C2CCN(CCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])CC2)c1 473008645 KCUIIMHEHBOYHG-UHFFFAOYSA-N 425.485 4.120 5 20 IIBD CC(C)NC(=O)c1ccc(N2CC[C@]3(CCCN(Cc4ccccc4)C3)C2)c([N+](=O)[O-])c1 474178795 VLRXEVKHCYFCEI-VWLOTQADSA-N 436.556 4.226 5 20 IIBD Cc1nc2ccccc2n1C1CCN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC1 477397640 YUTDTKNHBCHRQE-UHFFFAOYSA-N 445.479 4.044 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccc(CN(C)C)c(Cl)c3)cc2)c(C)c1[N+](=O)[O-] 478033231 AHFAJEOTHKWKTC-UHFFFAOYSA-N 441.919 4.424 5 20 IIBD CNC(=O)COc1ccc(NC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)c(C)c1 478668983 XAVZAUBRNFYEJP-UHFFFAOYSA-N 445.541 4.419 5 20 IIBD CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)NCc1cccc([N+](=O)[O-])c1C 480055831 HHMOFKUUXRNBDS-UHFFFAOYSA-N 443.891 4.327 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 480379882 QSZPEZCNUSZHPD-UHFFFAOYSA-N 431.427 4.330 5 20 IIBD CS(=O)(=O)c1ccc(Nc2ccc(N3CCCCC3)c3ncccc23)c([N+](=O)[O-])c1 480567861 NAZFATNQOVKNIA-UHFFFAOYSA-N 426.498 4.280 5 20 IIBD COC(=O)c1csc(-c2cccc(CNC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2)n1 481657003 MDAOHTNDBSCJGO-UHFFFAOYSA-N 431.857 4.088 5 20 IIBD CCN(CCc1cccs1)C(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] 481828248 DDDASSNNNBAMIZ-UHFFFAOYSA-N 447.538 4.405 5 20 IIBD CN(C)Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1Cl 481867768 BNZBNKHXJVZGRX-UHFFFAOYSA-N 437.827 4.129 5 20 IIBD COc1cc(C(=O)N(c2cccc(SC)c2)C2CCN(C)CC2)c([N+](=O)[O-])cc1OC 484407897 UCKVBOBPPSBEIK-UHFFFAOYSA-N 445.541 4.075 5 20 IIBD CCCN(C(=O)c1cccc(SC)c1[N+](=O)[O-])C1CCN(C(=O)c2ccccc2)CC1 486240540 QUZZRXKEUKOIOA-UHFFFAOYSA-N 441.553 4.474 5 20 IIBD CSc1cccc(C(=O)NC[C@H](C)Oc2cccc(Br)c2)c1[N+](=O)[O-] 486416490 MPBCPYILVVTHQJ-NSHDSACASA-N 425.304 4.277 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCC(CCN3CCCC[C@H]3C)CC2)c(C)c([N+](=O)[O-])c1 486857453 LSGLSJAVQRXGKC-MRXNPFEDSA-N 446.548 4.198 5 20 IIBD Cc1ccc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1C(=O)NC(C)C 488304262 XMSMMFNRLPTWLK-UHFFFAOYSA-N 438.406 4.382 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(OCCN2CCCC2)cc1 488641755 LUEZNKIWCWWNSN-UHFFFAOYSA-N 429.542 4.111 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N[C@H](c1c[nH]c2ccccc12)C(F)(F)F 490835434 RXHHHFFXCKEKTJ-QGZVFWFLSA-N 432.362 4.055 5 20 IIBD CC(C)Cn1nccc1NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 492884513 BVDZPRROYRYFBA-UHFFFAOYSA-N 439.438 4.321 5 20 IIBD CN(C)[C@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccccc1Cl 496407569 OLVHNHMVMRXITG-QGZVFWFLSA-N 445.825 4.222 5 20 IIBD CN1CCO[C@@H]([C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccc(Cl)cc2)C1 498487388 CBCIDGMTRBWSAJ-MSOLQXFVSA-N 439.299 4.095 5 20 IIBD CC(C)c1ccc(C[C@H](C)NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 500363794 VIRNKTGOCGBRJG-ZDUSSCGKSA-N 435.427 4.006 5 20 IIBD C[C@@H](NC1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCOCC1)c1ccccc1 500690428 STBPECHNRDPVMY-OAHLLOKOSA-N 432.908 4.270 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 500847467 PZGWQKRRGATUOU-UHFFFAOYSA-N 439.295 4.388 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccnc(OCC(F)(F)F)c1 503109191 PWJFXVRDGDNHFA-UHFFFAOYSA-N 429.420 4.363 5 20 IIBD Cn1cc(C(=O)NCc2ccnc(OC3CCCCC3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 503483581 HLALNASKBQAPHO-UHFFFAOYSA-N 435.484 4.032 5 20 IIBD Cc1nc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])ccc1Br 507654868 XPIKOXDGLPDOHK-UHFFFAOYSA-N 434.168 4.254 5 20 IIBD O=C(Nc1nnc(SCc2c(Cl)cccc2Cl)s1)c1cc([N+](=O)[O-])n[nH]1 507803967 CGIBQZDFOWGCOY-UHFFFAOYSA-N 431.286 4.021 5 20 IIBD Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 507939233 ICKGDPOOEHNFRL-QGZVFWFLSA-N 434.283 4.275 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2ncco2)c1 509268347 DHMIFADXLWAMHO-UHFFFAOYSA-N 449.204 4.415 5 20 IIBD Cn1cc(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 509292575 AWHUUKGYLVVHST-UHFFFAOYSA-N 447.495 4.264 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)cnc1N1CCCC[C@@H]1C 509353836 MUKNOYJAELCCKN-HNNXBMFYSA-N 430.530 4.014 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(Cc1cccc(Br)c1)C(C)C 512005215 CMDRDVWNOJVTSZ-UHFFFAOYSA-N 427.320 4.265 5 20 IIBD COC(=O)c1ccc(COc2ccc(-c3nc4cc([N+](=O)[O-])ccc4n3C)cc2OC)o1 513858290 XGBULVPZDBXSKU-UHFFFAOYSA-N 437.408 4.116 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC(Oc2ccccc2Cl)CC1 513893460 UJDVCYXGKCSURD-UHFFFAOYSA-N 426.860 4.118 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H](C)c2cccc(OC(F)F)c2)cc1[N+](=O)[O-] 514578434 LXCDFTXABCKODE-LBPRGKRZSA-N 426.441 4.315 5 20 IIBD CC(C)(C)c1ccc(C(=O)NCc2cccc(C(=O)NCc3ccco3)c2)cc1[N+](=O)[O-] 515721277 KIBPEOHXKCYGRI-UHFFFAOYSA-N 435.480 4.345 5 20 IIBD CNC(=O)c1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1Cl 515727993 AFQMHXAKPPLSSN-UHFFFAOYSA-N 430.892 4.096 5 20 IIBD C[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccccc2)c1 516168175 AOIJMXBYAHUDMF-QGZVFWFLSA-N 432.480 4.450 5 20 IIBD CCOC(=O)c1c(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)sc(C(C)=O)c1C 517653204 ASJDMJZKFVSPPI-LBPRGKRZSA-N 436.511 4.463 5 20 IIBD C[C@@H]1CCCN(c2nnc(SCCOc3ccc([N+](=O)[O-])cc3)n2Cc2ccco2)C1 519106575 ODTJVUZIQOFOQQ-MRXNPFEDSA-N 443.529 4.235 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(NC(=O)c2cccs2)c1 521415124 GJYJQTUKAGHNQS-UHFFFAOYSA-N 431.495 4.272 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])N(Cc1ccc2c(c1)OCO2)c1ccc(F)cc1 521572569 VRXKADCMECFDCS-UHFFFAOYSA-N 438.411 4.465 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1C[C@H]1c1c(F)cccc1F 522546361 JPJADCBFTPQUJZ-VXGBXAGGSA-N 429.345 4.224 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CCCc2cc(Br)ccc21 522666986 KKJAYGMOSJYNLB-UHFFFAOYSA-N 428.242 4.204 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CSC[C@@H]2C(=O)N(C)C(C)C)cc1[N+](=O)[O-] 522788782 DUJGRVLDSPXBFF-QGZVFWFLSA-N 439.603 4.115 5 20 IIBD Cc1nn(CCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)c(C)c1[N+](=O)[O-] 523956240 GOOAKVBJGRTRFO-UHFFFAOYSA-N 439.438 4.446 5 20 IIBD COc1cc(C(=O)NCc2ccccc2CN(C)C2CCCCC2)cc([N+](=O)[O-])c1OC 525584100 LSBPTPFAVYOKJE-UHFFFAOYSA-N 441.528 4.307 5 20 IIBD O=C(CSc1n[nH]c(-c2cc(F)cc(F)c2)n1)Nc1ccc([N+](=O)[O-])cc1Cl 525627744 OWDGJBPPNJNNDI-UHFFFAOYSA-N 425.804 4.042 5 20 IIBD CC[C@H](C)[C@@H](NC(=O)c1cc(C)ccc1[N+](=O)[O-])C(=O)Nc1cccc(N2CCCC2)c1 525650598 DSVSOSCOIFHFNH-HTAPYJJXSA-N 438.528 4.287 5 20 IIBD COC(=O)COc1ccc(CN[C@H](c2ccc(F)cc2)c2cccs2)cc1[N+](=O)[O-] 530389111 MZMZMINYTHCGPR-OAQYLSRUSA-N 430.457 4.226 5 20 IIBD COc1ccc(-c2nsc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])n2)cc1 531185160 WMTPJVCCCQCXMK-UHFFFAOYSA-N 435.259 4.137 5 20 IIBD O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 535727692 UDDTXGFIZLHBFT-UHFFFAOYSA-N 448.445 4.416 5 20 IIBD O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1n[nH]c2ccc([N+](=O)[O-])cc12 535800997 XXYKMEOQMLMBCQ-UHFFFAOYSA-N 440.288 4.254 5 20 IIBD CCOc1ccc(NC(=O)CNc2cc(F)c(F)cc2Br)c([N+](=O)[O-])c1 538978192 NFSSECOZUNIUSY-UHFFFAOYSA-N 430.205 4.085 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)c1 539518921 JOMIJWFLNJPHJV-UHFFFAOYSA-N 441.871 4.174 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c1 540892791 WUHUDLDZDIMGCN-OAHLLOKOSA-N 440.308 4.159 5 20 IIBD C[C@H](NC(=O)N1CCCC[C@@H]1CNC(=O)Nc1ccccc1)c1cccc([N+](=O)[O-])c1 542088617 FITAJQVDFPPABS-OXJNMPFZSA-N 425.489 4.042 5 20 IIBD O=C(NCCn1c2ccccc2c2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 542325711 OJTRZRAVIAGXJW-UHFFFAOYSA-N 436.855 4.111 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)c1 542736986 CLQHEQDHWUKJBT-UHFFFAOYSA-N 432.433 4.079 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N2CCCc3c([nH]c4c(F)cccc34)C2)c([N+](=O)[O-])c1 544018798 LENFSPQOEHGCJW-UHFFFAOYSA-N 433.443 4.133 5 20 IIBD C[C@H](C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1F 544509330 PXRYXOTUTWFENV-AWEZNQCLSA-N 443.456 4.277 5 20 IIBD Cc1cncnc1-c1noc(C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 546439216 WWIFCWXIGGFWEH-UHFFFAOYSA-N 434.378 4.146 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)cc1[N+](=O)[O-] 549311886 PRXUHXSHBPGSLG-GFCCVEGCSA-N 444.900 4.496 5 20 IIBD CC(C)(C)Oc1ccc(NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1 551765433 HZZHELSUZCOWOF-UHFFFAOYSA-N 436.262 4.112 5 20 IIBD COc1cc(CN2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c([N+](=O)[O-])cc1OC 552223357 QVDOJNFEEHORMH-IBGZPJMESA-N 427.284 4.492 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CN[C@@H](c2ccccc2)c2ccccn2)c1 554934625 XYFDHDZCHUWWQX-IBGZPJMESA-N 445.260 4.474 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2c2nc(-c3ccc(OCC4CC4)nc3)no2)ccc1[N+](=O)[O-] 557515146 RIBWKXOUAQFZEL-IBGZPJMESA-N 449.467 4.114 5 20 IIBD CCC(=O)c1ccc(NCc2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)c([N+](=O)[O-])c1 557670468 BGFXFFSRYMKACO-QHCPKHFHSA-N 436.468 4.025 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(F)c(N2CCOCC2)cc1F 561457684 VNAYQSUNZBOPLK-UHFFFAOYSA-N 437.468 4.462 5 20 IIBD Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 566941705 QVGUCXGHMUNPGG-LLVKDONJSA-N 434.365 4.328 5 20 IIBD COc1cc(-c2noc(C(C)(C)c3ccc([N+](=O)[O-])cc3F)n2)ccc1OCCN(C)C 569506338 DIXHCKXXUWWZLW-UHFFFAOYSA-N 444.463 4.059 5 20 IIBD COc1ccc(C[C@](C)(O)CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1OC 570977876 JIDNNHBWNQKTTC-QHCPKHFHSA-N 442.537 4.424 5 20 IIBD C[C@@H](C(=O)NCc1ccc(Cl)cc1I)c1cccc([N+](=O)[O-])c1 575416385 ROUJHYLPTAEDNO-SNVBAGLBSA-N 444.656 4.273 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCC(Cc3nc4ccccc4[nH]3)CC2)cc1SC 582209020 YBEQFSJJBRTKNA-UHFFFAOYSA-N 440.525 4.297 5 20 IIBD COc1cc(Cc2noc(-c3ncoc3-c3ccc(F)cc3)n2)c([N+](=O)[O-])c(OC)c1 589151732 RGGYKVSFIRRQPS-UHFFFAOYSA-N 426.360 4.047 5 20 IIBD COc1ccc(CN2C[C@@H](N3CCCC3)C[C@@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 589188809 QYCXGVBOOFRAHW-AVRDEDQJSA-N 425.529 4.241 5 20 IIBD CCN(c1ccccc1)c1ccc(CNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)cc1 600850201 VHMGIQWUBNOSJR-UHFFFAOYSA-N 426.498 4.012 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(Cl)c(Cn2c(C)nc3ccccc32)c1 609507547 XQOZFMKUKATLKG-UHFFFAOYSA-N 438.875 4.098 5 20 IIBD CC[C@@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)CC1 609763070 DANZYPPPQHAYDI-QGZVFWFLSA-N 445.541 4.356 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 610046329 BXXIUWBCDIGSBF-UHFFFAOYSA-N 443.459 4.148 5 20 IIBD CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)c1cc(F)ccc1F 610121327 VWXHQTOOKNGNLH-OAHLLOKOSA-N 446.191 4.359 5 20 IIBD Cc1c(Cl)cc(NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1Cl 610141859 SXPUHVMOTABWQM-UHFFFAOYSA-N 437.283 4.200 5 20 IIBD Cc1ccc(NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)cc1OCC1CCCCC1 610164461 SNCMBQCVQAJZIG-UHFFFAOYSA-N 425.485 4.117 5 20 IIBD Cn1ccc(COc2ccc(Cl)cc2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1=O 610287877 IGKRBCPIMDPSBU-UHFFFAOYSA-N 448.262 4.432 5 20 IIBD COc1ccccc1[C@H](C)N(C)C(=O)CSc1nc2cc3ccccc3cc2c(=O)n1C 613972854 HFMSNNKHBVLJLD-INIZCTEOSA-N 447.560 4.407 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N1CCC[C@@H]1c1ccccc1Br 618616850 CNLDJSJDNDYTKO-QGZVFWFLSA-N 444.289 4.280 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C 725797499 DEFITNKZFFGLRB-ROUUACIJSA-N 446.548 4.096 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)OCc2csc(C3CCCC3)n2)ccc1[N+](=O)[O-] 726676131 ZOSQMTNOLKQNFN-IBGZPJMESA-N 443.525 4.365 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N(CC[C@@H]1C[C@H]2CC[C@H]1C2)C1CC1 726781905 ZHCNIXIKVLMUDQ-YESZJQIVSA-N 427.501 4.100 5 20 IIBD CC1CCN(c2ccc(C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cn2)CC1 727204711 QXCPEJCGOYQVIQ-AWEZNQCLSA-N 446.891 4.064 5 20 IIBD Cc1cc(F)ccc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727585352 FBIAUVKNPVVSJX-UHFFFAOYSA-N 426.370 4.415 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)O[C@H](c1ccc(Cl)cc1)c1cccnc1 730430504 QEZUJCWSXBUQLV-OAQYLSRUSA-N 439.855 4.096 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N1CCC(n2cccn2)CC1 731354825 ZBFSBRXCWSRBHB-OAQYLSRUSA-N 439.903 4.462 5 20 IIBD O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 731578138 CXWRZLNJQMXGOB-UHFFFAOYSA-N 436.409 4.065 5 20 IIBD CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-] 734886817 FTIOKIHHQKKACR-KRWDZBQOSA-N 436.917 4.152 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])O[C@H]1CCN(c2ccccc2Cl)C1=O 735147517 LZZSRWDAJNLULC-KRWDZBQOSA-N 439.251 4.019 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(F)c(NC(=O)OC(C)(C)C)c2)cc([N+](=O)[O-])c1 736196045 QNBXVRQRAQQOJJ-UHFFFAOYSA-N 433.392 4.120 5 20 IIBD Cc1c(C(=O)Nc2ccc(OCC3CCOCC3)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 736516642 AJFPDWKBSOTDTC-UHFFFAOYSA-N 429.429 4.178 5 20 IIBD C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 738769996 BEWHCBCKOFDYEQ-GFCCVEGCSA-N 425.359 4.402 5 20 IIBD CCOc1ccc(N(C)C(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])cc1 739618009 BCMLLGCXNXZTME-UHFFFAOYSA-N 443.481 4.314 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)cc1Cl 741751794 NOWXVXIVBOGBAR-HUUCEWRRSA-N 447.919 4.256 5 20 IIBD CCO[C@H]1C[C@@H](Nc2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])C12CCCC2 742425744 FRVNGNXERAOYSO-OLZOCXBDSA-N 444.282 4.424 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cc1 742889803 NECQIZWSJHDOTE-AWEZNQCLSA-N 428.489 4.499 5 20 IIBD CC(C)(C)OC(=O)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1 742896585 KSGUGKOLCZULHO-UHFFFAOYSA-N 425.485 4.332 5 20 IIBD COC(=O)C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(Cl)c1 743791898 AYQHGTPEBNTFSK-INIZCTEOSA-N 445.884 4.406 5 20 IIBD C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 744403398 ZZVAOHGBMYUAHC-QRQCRPRQSA-N 445.520 4.208 5 20 IIBD Cc1ccc(CN(CC(=O)Nc2ccccc2[N+](=O)[O-])c2ccc3nc(O)[nH]c3c2)cc1 744406897 PJSTUZDBPQYKSN-UHFFFAOYSA-N 431.452 4.130 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(=O)Nc1ccc(F)cc1F 744554033 JSWILBQBMKNRRO-CYBMUJFWSA-N 433.411 4.047 5 20 IIBD Cc1nc(COC(=O)CSc2nc3cc([N+](=O)[O-])ccc3n2-c2ccccc2)oc1C 746542178 LDKJZNGWEGOERK-UHFFFAOYSA-N 438.465 4.374 5 20 IIBD COc1cccc(COC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1OC(F)F 750842417 NKPSMFYKWVXPKC-UHFFFAOYSA-N 432.173 4.324 5 20 IIBD Cc1nn(CCC(=O)OCc2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)c(C)c1[N+](=O)[O-] 752219870 ZMXSKFQDTTUUDU-UHFFFAOYSA-N 440.412 4.242 5 20 IIBD O=C(c1ccc(Cl)cc1)C1CCN(CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CC1 752790935 XFWSJTQSAZRSNW-UHFFFAOYSA-N 442.903 4.043 5 20 IIBD COCCc1noc(-c2cc(Cl)ccc2NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)n1 753272367 DVIKJWCYDCRRMB-RUDMXATFSA-N 428.832 4.139 5 20 IIBD COc1cc(Br)c(COC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1OC 755062194 JTLRGUMBKVSNFP-JTQLQIEISA-N 442.237 4.361 5 20 IIBD C[C@H](CCn1cccn1)OC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 755807116 KUANZCNFROEIBY-CQSZACIVSA-N 440.422 4.049 5 20 IIBD CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] 757114971 RSDXWYSFGNFSNJ-UHFFFAOYSA-N 435.436 4.138 5 20 IIBD CN(C)C1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3Br)cc2)CC1 759024434 AEHPFADXRHQLII-UHFFFAOYSA-N 447.333 4.140 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(Cc3nc(-c4ccc(-n5cnc6ccccc65)nc4)no3)c2c1 759211953 QFMLVRRHHLPCJK-UHFFFAOYSA-N 437.419 4.451 5 20 IIBD Cc1c(O)nc(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nc1-c1ccccc1 763179359 YQAOXOMYGZMCKW-UHFFFAOYSA-N 430.873 4.450 5 20 IIBD CCS(=O)(=O)c1cccc(CC(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)c1 763425415 JPQPXHLLQNDQKT-UHFFFAOYSA-N 436.917 4.028 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc(Br)c1F 763601144 VQSFBZQSUNMXJZ-UHFFFAOYSA-N 431.601 4.189 5 20 IIBD O=C(OCc1nc(-c2cccnc2)no1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 763796854 HRBYLRVKWDSAEI-UHFFFAOYSA-N 426.454 4.432 5 20 IIBD COC(=O)c1occc1CN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[C@@H](C)c1ccccn1 764217859 LVQRAFFMDNIEES-ZDUSSCGKSA-N 443.843 4.426 5 20 IIBD CNc1c(C(=O)OCc2csc(N(C(C)=O)c3ccccc3F)n2)cccc1[N+](=O)[O-] 765511888 FGCLBVSZSGQPHL-UHFFFAOYSA-N 444.444 4.274 5 20 IIBD O=C(O[C@@H]1CCOC[C@H]1OCc1ccccc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 767003144 QYPSZNRUGOHEAZ-WOJBJXKFSA-N 440.477 4.249 5 20 IIBD CN(C)C(=O)c1cc(F)ccc1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 767143188 GOYMUNWPZQZOCQ-UHFFFAOYSA-N 445.394 4.185 5 20 IIBD CC1=C(C(=O)N(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1c1ccc(Cl)cc1F 767146521 RANHGMJVKQZLQE-GOSISDBHSA-N 448.907 4.185 5 20 IIBD COc1cc(CN2CCC(O)(c3ccccc3Cl)CC2)c([N+](=O)[O-])cc1OC(F)F 769812184 IGOATKYMNLBSDS-UHFFFAOYSA-N 442.846 4.342 5 20 IIBD COC(=O)C1(O)CCN(C(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)CC1 770251395 TXJBFIOAQZDJPO-UHFFFAOYSA-N 443.499 4.073 5 20 IIBD COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OS(=O)(=O)CC1CCC1 771720247 LUFXBENHWLIMGN-LJQANCHMSA-N 444.509 4.094 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1nc(C(C)C)n(-c3ccccc3Cl)n1)CC2 773994687 BBBSSDMTLZPASN-UHFFFAOYSA-N 425.876 4.464 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 775540877 ZDTACEAAVUOLHN-HNNXBMFYSA-N 437.562 4.472 5 20 IIBD COc1cc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c([N+](=O)[O-])cc1OCC(F)F 779085977 DEOCAZMRPZHHIE-GFCCVEGCSA-N 425.388 4.315 5 20 IIBD Cc1nc2cc(NS(=O)(=O)c3cc(Br)ccc3[N+](=O)[O-])ccc2s1 781116665 GAHVUOMLRTVTOS-UHFFFAOYSA-N 428.289 4.076 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnc(Br)c(C)c1 783549370 BHGOCTMLTONLCP-UHFFFAOYSA-N 426.292 4.052 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 783830823 JTVHTYDYHGGUSA-STQMWFEESA-N 431.411 4.179 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)OC(C)(C)C)C1 784551576 HVTLOHHSSBKBJV-BMGDILEWSA-N 449.573 4.472 5 20 IIBD C[C@H]1CC[C@@H](C)N1CC(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 785744127 OAZRFJDPGRINST-LRAJWGHMSA-N 445.903 4.344 5 20 IIBD COc1ccccc1-c1nc(C2CCN(C(=S)Nc3ccc([N+](=O)[O-])cc3)CC2)no1 790332067 HBFBCZKDTSDHER-UHFFFAOYSA-N 439.497 4.230 5 20 IIBD CCc1c(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cnn1-c1ccc(C(F)(F)F)cc1 790417528 MOEWCBSRFXUTIB-UHFFFAOYSA-N 446.432 4.224 5 20 IIBD COc1ccc(Br)cc1CN(C)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790463778 ZISLSPVHBPHSHC-UHFFFAOYSA-N 445.672 4.360 5 20 IIBD COCc1ncsc1C(=O)O[C@@H](c1ccc(Br)cc1)C(C)(C)[N+](=O)[O-] 793203067 HAKUQEVVNNFIGA-AWEZNQCLSA-N 429.292 4.005 5 20 IIBD CC(=O)Nc1c(C)ccc(NC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])c1C 795395836 FLHNRCDZTJGTNP-UHFFFAOYSA-N 449.305 4.007 5 20 IIBD Cc1nc2c(C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)cccc2o1 795700679 XMAUHOLLQJTWOG-SECBINFHSA-N 437.330 4.247 5 20 IIBD Cc1nc(SC(F)F)sc1CC(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 795943209 LJWGOOCAVKHTFR-UHFFFAOYSA-N 442.425 4.010 5 20 IIBD O=C(CN1CCc2cc([N+](=O)[O-])ccc21)N1N=C(c2cccs2)C[C@H]1c1cccs1 797675123 XLJVJIBEYWOCNU-SFHVURJKSA-N 438.534 4.458 5 20 IIBD CSc1c(F)cccc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 797926855 RIFSAXDHZDMLKB-UHFFFAOYSA-N 432.351 4.270 5 20 IIBD O=C(NS(=O)(=O)CCc1ccccc1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 799606177 TWERLUJLDQNTRN-UHFFFAOYSA-N 442.518 4.048 5 20 IIBD COc1cc(CN2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)c([N+](=O)[O-])cc1F 801543388 ARLWAPGHQHELCE-UHFFFAOYSA-N 444.381 4.125 5 20 IIBD O=[N+]([O-])c1cc(F)c(S(=O)(=O)N(Cc2ccccc2)CC2CCOCC2)cc1Cl 809816916 UXRDFCTUBSKENB-UHFFFAOYSA-N 442.896 4.005 5 20 IIBD Cc1[nH]nc(C(=O)N[C@H]2CC(C)(C)Oc3ccc(NC(=O)OC(C)(C)C)cc32)c1[N+](=O)[O-] 812356007 LAZUGRGVOPALTF-AWEZNQCLSA-N 445.476 4.006 5 20 IIBD O=C(Nc1ccc(OC(=O)c2snnc2C2CC2)cc1)c1cc([N+](=O)[O-])ccc1Cl 812827151 JEMTXOWNOVBQOE-UHFFFAOYSA-N 444.856 4.449 5 20 IIBD Cc1cc(C(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c(N)c([N+](=O)[O-])c1 814238228 KRYCOAURMDZIFF-UHFFFAOYSA-N 445.519 4.274 5 20 IIBD C[C@@H](C(=O)O[C@H]1C[C@@H](OC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1)c1cccc([N+](=O)[O-])c1 816098176 FRIMTGTZEMZCPH-FQZPYLGXSA-N 442.424 4.028 5 20 IIBD O=C(c1cc(F)ccc1[N+](=O)[O-])N(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 816820102 ZJDGIGNMEDWABN-JOCHJYFZSA-N 448.498 4.436 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 816849428 YYQOHISTJMKJOW-OAHLLOKOSA-N 433.505 4.046 5 20 IIBD O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccc(N2CCCCC2)nc1 827006708 UKXPWWNHPSFWRD-UHFFFAOYSA-N 429.527 4.321 5 20 IIBD Cc1nc(Cc2ccccc2)sc1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 915249069 FFRCOVNPAHMAAR-UHFFFAOYSA-N 426.450 4.174 5 20 IIBD CCOC(=O)C[C@H](c1ccccc1)C1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 917092179 PQMPWYLBQSJIJP-LJQANCHMSA-N 427.457 4.456 5 20 IIBD O=C(Cn1cc(Br)c([N+](=O)[O-])n1)Nc1c(Cl)cc(Cl)cc1Cl 917569378 OXXFMJNYFGOPMJ-UHFFFAOYSA-N 428.457 4.153 5 20 IIBD O=C(c1cc(Cl)ccc1F)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 919963911 SEZDVEJDPQTBPR-UHFFFAOYSA-N 431.773 4.369 5 20 IIBD CCOC(=O)c1ccn(-c2cccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2)n1 1317821467 VZPURCHNPGHAAC-UHFFFAOYSA-N 436.449 4.424 5 20 IIBD COCC(=O)Nc1cccc(CNCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c1 1318620895 IQEYAPLDTCOXFE-UHFFFAOYSA-N 429.860 4.383 5 20 IIBD COc1ccccc1OCc1nnc(-c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])o1 1322074693 CUYYRRFUIWRXBK-UHFFFAOYSA-N 425.319 4.174 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(-c2nnc(C34CC5CC(CC(C5)C3)C4)o2)cc1OC 1326188584 WICVBZGOEUTFJM-UHFFFAOYSA-N 429.473 4.146 5 20 IIBD O=C(COC(=O)c1ccc(Oc2ccc(Cl)cn2)cc1)Nc1cccc([N+](=O)[O-])c1 1338822817 FSNYISLSTQHLNN-UHFFFAOYSA-N 427.800 4.231 5 20 IIBD O=C(Cc1cc([N+](=O)[O-])ccc1F)Nc1ccc(C2(NC(=O)C3(F)CCC3)CCC2)cc1 1786671962 ZBVOYIRNKHUBTC-UHFFFAOYSA-N 443.450 4.303 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccccc1)C2 1800699158 JOSKLGOOCDYYAE-JNYVGJRZSA-N 437.471 4.008 5 20 IIBD Cc1ccc([C@H](C)C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C3)cc1 1801777498 LFZWQHCWOMDXAA-JGJBVQGFSA-N 447.535 4.358 5 20 IIBD CC1(C)CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(F)c3[N+](=O)[O-])[nH]n2)C1 1822475511 MMBJXIVNNUUZGH-QGZVFWFLSA-N 443.479 4.199 5 20 IIBD CC(C)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1831378443 YMBWSGDZGOGALS-JOCHJYFZSA-N 429.561 4.193 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC12CN(C(=O)C[C@H](C)c1ccccc1)C2 1845494185 VHHBPDBKPSXBOI-INIZCTEOSA-N 439.487 4.053 5 20 IIBD CCc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cc(Cl)cc([N+](=O)[O-])c3C)C2)cc1 1845499768 GNVHQKRJMWHGQY-UHFFFAOYSA-N 441.915 4.250 5 20 IIBD O=C(COC(=O)c1ccccc1[N+](=O)[O-])Nc1cc(C2CCCC2)nn1-c1ccccc1 9754682 BXKXDOJQDLPFQZ-UHFFFAOYSA-N 434.452 4.234 5 20 IIBD CN(C(=O)COC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1ccc([N+](=O)[O-])cc1 12256497 OYIYHYUSTDGJEX-UHFFFAOYSA-N 443.843 4.042 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccco3)n2CC(C)C)c([N+](=O)[O-])c1 17000638 YCAMJTNLSATVAC-ZDUSSCGKSA-N 445.501 4.230 5 20 IIBD Cc1sc2ncn(NC(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)c(=O)c2c1C 17160905 DKCAFHLIQVEBNX-UHFFFAOYSA-N 435.465 4.111 5 20 IIBD Cc1ccccc1CCNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 18832055 XLPZUDSSEYLONJ-UHFFFAOYSA-N 435.446 4.497 5 20 IIBD O=C(OCc1nc(-c2cccnc2)no1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 21436589 BHXVNCLPPCFQAV-UHFFFAOYSA-N 431.408 4.009 5 20 IIBD CCOC(=O)c1cc(C(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)cc([N+](=O)[O-])c1 23388839 HSGZGMMEMXEEOQ-JOCHJYFZSA-N 444.447 4.167 5 20 IIBD C[C@H](Oc1ccc(F)cc1)C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 25777795 LJCWACTXHBOWNY-MNOVXSKESA-N 444.337 4.090 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2nnc(SCc3ccccc3)s2)cc1OC 28242571 WVTJOGBZPBZVKT-UHFFFAOYSA-N 446.510 4.398 5 20 IIBD CCCCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nc2ccccc2c1=O 28786933 OKNHXAKDQRFYGD-UHFFFAOYSA-N 426.498 4.144 5 20 IIBD O=C(COc1ccc2cc(Br)ccc2c1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 31680690 ZODKOAHUIOCHKN-UHFFFAOYSA-N 445.225 4.257 5 20 IIBD CCCCn1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O 36802002 KXXYMDYOTWNYIR-AWEZNQCLSA-N 426.498 4.224 5 20 IIBD O=C(Nc1cc(Br)ccc1I)c1ccc([N+](=O)[O-])cc1 49030983 WYEHZDKHACPNLI-UHFFFAOYSA-N 447.026 4.214 5 20 IIBD CCOc1cc(NC(=O)C(=O)NC2CCC(C(C)(C)CC)CC2)c([N+](=O)[O-])cc1OCC 61953083 KDCVCWCJTWGLCV-UHFFFAOYSA-N 449.548 4.442 5 20 IIBD CCCCNC(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 64867365 ICQDEBBVZXOIAK-UHFFFAOYSA-N 425.485 4.156 5 20 IIBD Cn1cc(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)c(-c2ccc([N+](=O)[O-])cc2)n1 65088659 HLVHSKFTGBCFFV-UHFFFAOYSA-N 428.408 4.384 5 20 IIBD COc1ccc(CN2CCC(CNC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)CC2)cc1 72046529 QAWMQGHTRLOHPD-QGZVFWFLSA-N 443.569 4.112 5 20 IIBD CC(C)c1noc(-c2ccc(NC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2)n1 110960126 IJEUEWOXPKFELY-UHFFFAOYSA-N 436.472 4.122 5 20 IIBD O=C(NC1CCN(CCc2ccccc2)CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 215718364 JPZQUARTWUNYFP-UHFFFAOYSA-N 436.537 4.155 5 20 IIBD CCN1CCN(CCCNCc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 236944437 YBPDBHQHZMOBLS-UHFFFAOYSA-N 428.602 4.172 5 20 IIBD COc1cc(CNC[C@H]2CCOc3ccccc32)c([N+](=O)[O-])cc1OCC(F)(F)F 237461096 ZMMWPWOLTYPYPT-CYBMUJFWSA-N 426.391 4.200 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1cc(F)ccc1F 301167645 DEDVYSSFLOWXJX-UHFFFAOYSA-N 449.435 4.295 5 20 IIBD CS(=O)(=O)c1ccc(Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)c([N+](=O)[O-])c1 301318399 PROLVUFGMJGWDC-LJAQVGFWSA-N 444.534 4.191 5 20 IIBD O=C(NCc1ccc(F)cc1)C1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 301424984 BPGQCZKWCJHZRA-UHFFFAOYSA-N 425.382 4.286 5 20 IIBD COc1cc(N2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn34)C2)c([N+](=O)[O-])cc1F 301642544 ZMAYYSUJYLVAFV-LLVKDONJSA-N 439.369 4.188 5 20 IIBD COc1cccc(C(=O)N2C[C@H](C)C(=O)N(Cc3ccccc3)c3ccccc32)c1[N+](=O)[O-] 435812391 WMXWPSHHEGGXKK-KRWDZBQOSA-N 445.475 4.433 5 20 IIBD CCCNC(=O)c1cccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 436098613 CCUNAMXBZBYKPC-UHFFFAOYSA-N 435.430 4.352 5 20 IIBD Cc1nn(C)c(Oc2cccnc2)c1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 436351858 FCAUCQFULQXVBO-UHFFFAOYSA-N 425.448 4.163 5 20 IIBD Cc1nnc(SCc2c(C(=O)N(C)c3ccc([N+](=O)[O-])nc3)oc3ccccc23)s1 439299637 TUDZVZMBNGUXTP-UHFFFAOYSA-N 441.494 4.465 5 20 IIBD CN(CC(=O)Nc1cc(Cl)ccc1Sc1nccn1C)c1ccccc1[N+](=O)[O-] 443853302 BQIKSAUGGLFIOP-UHFFFAOYSA-N 431.905 4.208 5 20 IIBD CCOc1cc(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)ccc1OC 444017647 AABGRISWLNOTJP-UHFFFAOYSA-N 438.430 4.297 5 20 IIBD CCc1ccc(CN2CCN(C(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)CC2)s1 444080134 HKWGWEPTSPILAE-UHFFFAOYSA-N 449.551 4.402 5 20 IIBD Cn1cnc([N+](=O)[O-])c1-c1noc(Cc2csc(-c3cccc(C(F)(F)F)c3)n2)n1 445572695 SRYIULIOKUGCQW-UHFFFAOYSA-N 436.375 4.111 5 20 IIBD CCS(=O)(=O)c1ccc(-c2noc([C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 445602534 VFLWKYQGVJZXHP-NSHDSACASA-N 437.861 4.232 5 20 IIBD Cn1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cc(Br)c1=O 446495888 QCYUVDPBGUVMAQ-UHFFFAOYSA-N 444.241 4.101 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c2ccccc2S1 446621501 WSJHSLRCKBBANI-LBPRGKRZSA-N 427.511 4.016 5 20 IIBD CC1(C)CN(C(=O)c2ccc(C(=O)N3CC(C)(C)[C@H]3C3CC3)c([N+](=O)[O-])c2)[C@H]1C1CC1 460981688 PTGKMJUGQIQRBL-VQTJNVASSA-N 425.529 4.116 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3cccc(N4CCCNC4=O)c3)cc2[N+](=O)[O-])CC1 461767362 ZJCUEWDQFYGODH-UHFFFAOYSA-N 437.500 4.003 5 20 IIBD Cc1ccccc1OCCCN(C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 462531912 OTTGZYDXYGIQHE-UHFFFAOYSA-N 433.313 4.300 5 20 IIBD CC(C)CN(C(=O)[C@@H]1CCc2cnn(C)c2C1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 462843975 HFNYDHMENZVNOA-OAHLLOKOSA-N 439.541 4.246 5 20 IIBD Cc1ccc([C@@H]2OCCC[C@@H]2CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])cc1 463063527 HLMDSJWGQDRTQB-XXBNENTESA-N 434.496 4.448 5 20 IIBD COc1cc(C(=O)N=c2cc(C3CC3)[nH]c3ccc(Cl)cc23)cc([N+](=O)[O-])c1OC 464396396 DLEWYIJRWCQXFE-UHFFFAOYSA-N 427.844 4.365 5 20 IIBD CO[C@@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1cccc(Cl)c1 464595999 KYNBHFLNUCGVAD-INIZCTEOSA-N 432.782 4.307 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 467990001 IGMYTUKWVHXTHH-UHFFFAOYSA-N 446.488 4.169 5 20 IIBD Cn1cc(-c2ncccc2NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cn1 468267681 HJMWDMZOIKCKHK-UHFFFAOYSA-N 437.403 4.140 5 20 IIBD COC[C@H](C)Oc1ccc(Cl)cc1N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 468821451 DHLYNJQYSMUSQN-STQMWFEESA-N 437.880 4.110 5 20 IIBD Cc1ccc(C[C@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c2ccccn2)cc1 469346482 XVKAZVWBCHSNEK-QHCPKHFHSA-N 432.480 4.055 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 473502118 JBSXEWGLSAQYLJ-QHCPKHFHSA-N 425.554 4.202 5 20 IIBD CNC(=O)c1cc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)ccc2[nH]1 473571889 PWSDXZJUXOOZNS-UHFFFAOYSA-N 443.463 4.300 5 20 IIBD CC(C)(NC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 474483267 UQLFVISAMCNNBV-UHFFFAOYSA-N 433.464 4.168 5 20 IIBD Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)Cc2c([N+](=O)[O-])ncn2C)cc1C 475751712 AZCQHACJHMUIHO-UHFFFAOYSA-N 430.512 4.430 5 20 IIBD CCCCCn1c(SCc2c([N+](=O)[O-])ncn2C)nc2sc3c(c2c1=O)CCCC3 476482204 INMDMZQFZFXYKK-UHFFFAOYSA-N 447.586 4.461 5 20 IIBD O=C(C[C@@H]1COCCN1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1ccco1 476776098 HXPHGSKOJTUZPJ-GOSISDBHSA-N 435.436 4.045 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1 477070261 DSJWIAAXMNBLCO-UHFFFAOYSA-N 428.807 4.216 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCC(n3c(C)nc4ccccc43)CC2)cc1SC 477446488 JZQPBKZKZHWJAP-UHFFFAOYSA-N 440.525 4.461 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)cc1SC 477992484 VEGAXQXBKNRDSM-PSASIEDQSA-N 443.344 4.435 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 478425270 HMRQCSIHOZZNKO-LHSJRXKWSA-N 432.860 4.061 5 20 IIBD CCc1nc2c(s1)[C@@H](N(C)C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])CCC2 479087435 ALZWVVIHOYEWJP-LBPRGKRZSA-N 441.456 4.373 5 20 IIBD O=C(Nc1nc2ccccc2n1CCc1ccccn1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 480359406 RCPUCNVVYZEWGZ-UHFFFAOYSA-N 442.479 4.409 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)NC1(c2cc(C(F)(F)F)ccc2Cl)CC1 480779845 LYVXXVAVRAXBBU-UHFFFAOYSA-N 434.823 4.376 5 20 IIBD Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c(Cl)cc1Cl 481948151 ZBWCZLATGXLKPX-UHFFFAOYSA-N 430.191 4.425 5 20 IIBD O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 482361646 RROYQWLLCOTAQZ-MZNJEOGPSA-N 443.463 4.320 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(Cc2ccccn2)CC1 483211983 IAAILFVPTMLCMP-UHFFFAOYSA-N 428.558 4.132 5 20 IIBD C[C@H](CN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H](C)CO)c1ccccc1 489468540 IQSGQNQCJDJSML-CVEARBPZSA-N 425.510 4.345 5 20 IIBD C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 489862459 GIRFFVCILRGLED-ZDUSSCGKSA-N 433.306 4.164 5 20 IIBD CCN(c1cccc(C)c1)S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC 491542399 DDKNXUVHUBNMHR-UHFFFAOYSA-N 443.319 4.198 5 20 IIBD COC(=O)CCCN(Cc1ccccc1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 493177676 CRGSCNCNAZXXIO-UHFFFAOYSA-N 439.493 4.314 5 20 IIBD COC1(CCNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCC1 501455658 VUNJLMCQQBJKAV-UHFFFAOYSA-N 434.496 4.065 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CN3CCOC[C@@H]3c3noc(-c4ccccc4)n3)cs2)c1 501753603 QCPGIERZAJNXED-LJQANCHMSA-N 449.492 4.342 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(OCCn2cncn2)c1 503034804 QVBUVYUMNZRBFI-UHFFFAOYSA-N 427.486 4.020 5 20 IIBD O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 504814830 WZEOQFNTCLXLNF-UHFFFAOYSA-N 447.373 4.091 5 20 IIBD COc1cc(C(=O)NCc2ccc(Cl)cc2)c([N+](=O)[O-])cc1OCc1cscn1 506772247 NEKYDYAHEDSQRY-UHFFFAOYSA-N 433.873 4.222 5 20 IIBD COc1ccccc1N(C(C)=O)c1nc(CN(C)CCc2ccccc2[N+](=O)[O-])cs1 511093870 RHJSOCLHOQYICB-UHFFFAOYSA-N 440.525 4.419 5 20 IIBD C[C@@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCCN(C2CCC2)C1 511284079 CRCAVQIWKHRZJS-HUUCEWRRSA-N 442.482 4.185 5 20 IIBD CCN(CC)C(=O)c1ccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)cc1 511542079 NHCXBNBUXNEYAJ-UHFFFAOYSA-N 437.418 4.282 5 20 IIBD O=C(NC1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1)c1ccsc1 511796316 YEMFKBBYJYVBDR-UHFFFAOYSA-N 428.539 4.174 5 20 IIBD CC(C)N(Cc1ncc(-c2ccc3c(c2)OCO3)[nH]1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 511990668 JXMQDHSBZLUUHB-UHFFFAOYSA-N 447.451 4.246 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1C[C@@]12CCc1cc(Br)ccc12 513008571 HSQRZRYNKJPBMH-PZJWPPBQSA-N 429.314 4.262 5 20 IIBD Cc1cccc(COc2cccc(NC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)c2)c1 513470192 CUMDQIRTKLNLOG-UHFFFAOYSA-N 440.477 4.138 5 20 IIBD Cc1sc(NC(=O)[C@@H]2CCCCN2C(=O)c2ccco2)nc1-c1cccc([N+](=O)[O-])c1 514234010 IFTQCLWBPRZWJN-INIZCTEOSA-N 440.481 4.253 5 20 IIBD CC1CCN([C@@H](CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C(C)C)CC1 515282674 KFKCMCMTWNURAN-SFHVURJKSA-N 431.455 4.022 5 20 IIBD CCOc1cc(Br)c(F)cc1NCC(=O)Nc1ccc([N+](=O)[O-])cc1C 517449204 SVTPBRYWRCLAOR-UHFFFAOYSA-N 426.242 4.254 5 20 IIBD NC(=O)c1ccc(CNc2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2)c([N+](=O)[O-])c1 518320175 KBYSREPOHWLWFA-QFIPXVFZSA-N 444.491 4.283 5 20 IIBD CCN1CC[C@H](N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2Cc2ccccc2)[C@H](C)C1 518634176 YFYFLOULYSZCTM-GCJKJVERSA-N 434.544 4.068 5 20 IIBD COCCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc2ccccc2s1 518878529 KSLHQYGTFGAMFQ-GFCCVEGCSA-N 435.889 4.305 5 20 IIBD COc1cc(OCC(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)ccc1[N+](=O)[O-] 519029378 GLQWYSICPUAQCK-UHFFFAOYSA-N 432.436 4.244 5 20 IIBD CC(C)N(Cc1ccc(Br)cc1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 520156215 WCGHDLVRCZNKDI-UHFFFAOYSA-N 431.283 4.096 5 20 IIBD COc1cc(OCC(=O)Nc2nc(C)c(Cc3ccccc3F)s2)ccc1[N+](=O)[O-] 520554369 KFDZAFBNGCGKOR-UHFFFAOYSA-N 431.445 4.116 5 20 IIBD COc1cc(C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c([N+](=O)[O-])cc1OC 521331260 XYZSGTJJHVGKAN-MRXNPFEDSA-N 438.440 4.029 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 522685700 RGQICSJXMILTON-MRVPVSSYSA-N 434.720 4.359 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCc1cc(Cl)c2c(c1)OCCCO2 525341770 UHNQNKMKDFEXKI-UHFFFAOYSA-N 433.892 4.232 5 20 IIBD COc1ccc(CN2CCN(C(=O)c3sc4ccccc4c3C)CC2)cc1[N+](=O)[O-] 525488084 AFYSEGBOLJUUFP-UHFFFAOYSA-N 425.510 4.085 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(Br)ccc2Sc2nncn2C)c1 525660318 PRARLRPRHWSBDJ-UHFFFAOYSA-N 448.302 4.198 5 20 IIBD COc1cc(CN[C@H](C)c2ccc([S@](C)=O)cc2)c([N+](=O)[O-])cc1OCC(F)(F)F 534468167 UUNMBEVVBVSTLI-SSUCQYSQSA-N 446.447 4.133 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCC[C@@H]2CC(=O)c2cnn(C)c2)cc1[N+](=O)[O-] 534923377 LXSLMEGNBZWXMD-GOSISDBHSA-N 444.557 4.344 5 20 IIBD O=C(NCCNc1ncnc2ccc([N+](=O)[O-])cc12)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 536097910 GAPBFKXNXHSUFU-HUUCEWRRSA-N 446.294 4.177 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)CCc1cnn(C)c1C 536221620 WYAQHXLCSHWTDJ-UHFFFAOYSA-N 442.497 4.113 5 20 IIBD CSc1nc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)c2ccccn12 537151197 STZYRCMUOALDQS-UHFFFAOYSA-N 425.495 4.365 5 20 IIBD Cc1[nH]nc(C(=O)N(Cc2ccccc2)Cc2ccc(Br)cc2)c1[N+](=O)[O-] 539022695 ATGKRZLSJXTXTR-UHFFFAOYSA-N 429.274 4.231 5 20 IIBD C[C@H](C(=O)N1CCCC[C@@H]1CNC(=O)Nc1ccccc1)c1ccc([N+](=O)[O-])cc1F 541681470 DRYQXDSABFBUAA-MAUKXSAKSA-N 428.464 4.040 5 20 IIBD CCc1ccc([C@H](NC[C@H]2CC(=O)N(Cc3ccccc3)C2)c2ccc([N+](=O)[O-])cc2)o1 542494796 PGVYDWFXGWTUKX-KBMIEXCESA-N 433.508 4.478 5 20 IIBD CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 544490465 KZYMSRKWOLBBDK-QAPCUYQASA-N 437.265 4.489 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H]2CC(=O)N(c3ccccc3Br)C2)n1 544733681 FBIYJCYQISMYDZ-LBPRGKRZSA-N 443.257 4.236 5 20 IIBD O=[N+]([O-])c1ccc(/C=C\c2nc(CS(=O)(=O)c3cc(Cl)ccc3Cl)no2)cc1 544906340 OLQCAOAGHQSQAO-BAQGIRSFSA-N 440.264 4.429 5 20 IIBD Cc1nn(Cc2ccc(-c3nc([C@@H]4CCN(C)c5ccccc54)no3)cc2)c(C)c1[N+](=O)[O-] 545646968 CESASSPACSXHOA-HXUWFJFHSA-N 444.495 4.478 5 20 IIBD CCN(CC)CCOc1ccccc1-c1noc(-c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)n1 546300672 AVZURCMBGDIPPL-UHFFFAOYSA-N 448.483 4.218 5 20 IIBD CCc1ccc([C@@H](NCc2cccc(C(=O)N3CCOCC3)c2)c2ccc([N+](=O)[O-])cc2)o1 546692386 MMZDDXYHWXALQQ-DEOSSOPVSA-N 449.507 4.102 5 20 IIBD Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 551495514 MEVOJLDNWUAAHF-GOSISDBHSA-N 448.317 4.460 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCN(C4CCC4)C[C@@H](C)C3)cc2[N+](=O)[O-])C1 553863173 SKEVQIZPXYYGNP-GUDVDZBRSA-N 428.577 4.024 5 20 IIBD O=C(Cc1noc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1)Nc1ccc(Cl)cc1 554049674 JGQVJMMWHHJPRI-UHFFFAOYSA-N 427.848 4.080 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1NCc1ccc(N2CCCS2(=O)=O)c(F)c1 557661186 XOEPHNFFGLRBIE-UHFFFAOYSA-N 434.276 4.193 5 20 IIBD O=[N+]([O-])c1ccc2nc(NC3CCN(Cc4cc(Cl)cc(Cl)c4)CC3)nc(O)c2c1 561263620 YERGCRQMMYCOBV-UHFFFAOYSA-N 448.310 4.627 5 20 IIBD CCCc1cc(=O)nc(/C(=C/c2cc(I)cc([N+](=O)[O-])c2)CC)[nH]1 561410848 BYLVQSQQPHBYCL-WUXMJOGZSA-N 439.253 4.186 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(Cl)cc2OCC(F)F)cc([N+](=O)[O-])c1 563772413 ASFZQIIAFCIURW-UHFFFAOYSA-N 428.775 4.321 5 20 IIBD CC(C)OC[C@@H]1CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCO1 565633472 OSFQBHCUXQHIHE-SFHVURJKSA-N 434.876 4.307 5 20 IIBD CCCCN(C)C[C@@H](C)NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 566710888 QDERTZZJUSABOQ-OAHLLOKOSA-N 444.498 4.067 5 20 IIBD NC(=O)c1ccnc(N(Cc2ccccc2)Cc2ccc(Br)cc2)c1[N+](=O)[O-] 566770276 OEUCTNASHJDOSO-UHFFFAOYSA-N 441.285 4.058 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2 577889109 QBJOMFJEVWMCBS-UHFFFAOYSA-N 445.475 4.134 5 20 IIBD Cc1cc(C)c(S(=O)(=O)N2CCC(c3noc4cc(F)ccc34)CC2)cc1[N+](=O)[O-] 580364828 ARVVHKKKNDXTSV-UHFFFAOYSA-N 433.461 4.060 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CC(C)(C)[C@@H]3c3cnn(C)c3)cc2[N+](=O)[O-])n1 580475490 ZGMYNDDLSCUJPH-KRWDZBQOSA-N 443.554 4.468 5 20 IIBD Cc1cc(Oc2ncnc(CC(C)C)c2I)c(F)cc1[N+](=O)[O-] 581139035 MFWZONYHHLIBDB-UHFFFAOYSA-N 431.205 4.428 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(N2CCCCC2)c2ncccc12 582755851 FDJCDSKFHANBIQ-UHFFFAOYSA-N 447.495 4.273 5 20 IIBD O=C(Nc1cc(F)c(F)cc1N1CCCCC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 584321100 DTCZKZVYCADNGS-UHFFFAOYSA-N 445.470 4.217 5 20 IIBD CCOc1cc(CN2CCC[C@H](C3CC3)C2)ccc1OCCn1c([N+](=O)[O-])cnc1C 589209669 QGAJDLFIGUZDTR-FQEVSTJZSA-N 428.533 4.199 5 20 IIBD O=C(Nc1cc(Br)c(F)cc1F)N1CCOc2ccc([N+](=O)[O-])cc2C1 589338015 OSWTUECNQIXPPS-UHFFFAOYSA-N 428.189 4.062 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(COc3cc(F)cc(F)c3)n2)c(Br)c1 589368120 LBIPOUDHLVLLGR-UHFFFAOYSA-N 426.173 4.188 5 20 IIBD COc1ccccc1[C@H](Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)c1ccccc1Cl 600848243 BQBRECGPARSGIV-HXUWFJFHSA-N 447.900 4.106 5 20 IIBD COc1ccc(CSc2nc3ccccc3c(=O)n2CCCOC(C)C)cc1[N+](=O)[O-] 603722170 QNYGFFPVRMPVJA-UHFFFAOYSA-N 443.525 4.421 5 20 IIBD CC(C)Oc1ccccc1CNc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] 603942628 UZORTDYJIMOPEN-UHFFFAOYSA-N 433.530 4.169 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N[C@@H]3CCN(Cc4ccccc4)C3=O)c([N+](=O)[O-])c2)cc1 608974694 YRXATDUTOVLHOL-JOCHJYFZSA-N 444.491 4.369 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCC2(c3cccc(OC)c3)CCCC2)cc1OC 609376858 VAUBTXKHRQMACS-UHFFFAOYSA-N 428.485 4.253 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1nc2ccc(Cl)cc2[nH]1 609489578 WOWUGGQQRXXAQZ-UHFFFAOYSA-N 441.797 4.262 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)N2C[C@H](c3ccccc3Cl)OC[C@@H]2C)cc1[N+](=O)[O-] 609545318 COSXFPXMFZLGFT-BBATYDOGSA-N 445.324 4.361 5 20 IIBD O=C(NCc1cccc(NC(=O)C2CCCC2)c1)c1ccc([N+](=O)[O-])cc1Br 610041759 ZUQGZXNGTJIYOD-UHFFFAOYSA-N 446.301 4.416 5 20 IIBD Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 610045965 JLLIXWRSAZEEPD-UHFFFAOYSA-N 426.473 4.311 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N2CCc3cccc(Cl)c32)cc1[N+](=O)[O-] 610338326 YGFOVZNNNAOOHS-UHFFFAOYSA-N 431.695 4.071 5 20 IIBD COc1ccc(CNC(=O)C(=O)Nc2cccc(Sc3ccccc3)c2)cc1[N+](=O)[O-] 610462791 CNCIIOOODGJIRC-UHFFFAOYSA-N 437.477 4.010 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCc1cccc(OCc2ccccn2)c1 611510347 HRWSEMRLKOYLQG-UHFFFAOYSA-N 440.887 4.264 5 20 IIBD Cc1nc([C@H]2COCCN2Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)no1 611532740 LDOJXHOKELGOER-QGZVFWFLSA-N 430.848 4.305 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC([C@@H]4CCOC4)CC3)cc2[N+](=O)[O-])n1 612347702 WAHHPINFYYQQAT-MRXNPFEDSA-N 433.555 4.400 5 20 IIBD CCc1nc([C@H]2CCCCN2C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])no1 618666515 SQDPQCXUJXKJAU-HXUWFJFHSA-N 436.468 4.487 5 20 IIBD O=C(CN1CCCCCCC1)Nc1ccc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1 727712184 DPLGIBMSXKSWPY-UHFFFAOYSA-N 446.454 4.330 5 20 IIBD O=C(OCc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 728994144 JSZRMWMIDWKJDD-LLVKDONJSA-N 427.215 4.137 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(Oc3ccc(F)cc3)cn2)cc([N+](=O)[O-])c1 729378404 FMFNLXOEEXRKLV-UHFFFAOYSA-N 425.372 4.350 5 20 IIBD Cc1cc(C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c(N)c([N+](=O)[O-])c1 731373146 HIVRPHQJRLBXHM-UHFFFAOYSA-N 437.327 4.187 5 20 IIBD Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)OCc1nc2ccccc2c2ccccc12 733516024 LXBSDYBTCYFMSQ-XMMPIXPASA-N 441.466 4.349 5 20 IIBD O=C(NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F)c1ccc(Cl)cc1[N+](=O)[O-] 735223608 TXXLXKDPZWTUBH-UHFFFAOYSA-N 443.186 4.039 5 20 IIBD O=C(Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1)c1ccc(Cn2cccn2)o1 735637126 BFFIGZJLJSBTEB-UHFFFAOYSA-N 444.407 4.131 5 20 IIBD CCC[C@H](C)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2I)n[nH]1 743627854 JDLBHLNGGRKBOZ-VIFPVBQESA-N 428.230 4.078 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)O[C@H](C(=O)NCc1ccccc1)c1ccccc1 744615439 QUSZNIWVJXIGME-DEOSSOPVSA-N 443.459 4.150 5 20 IIBD O=C(NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1sccc1-c1ccc(F)cc1 744951005 AUTOTFFPHFSBTB-UHFFFAOYSA-N 440.861 4.235 5 20 IIBD C[C@@H](OC(=O)C1(c2cccc(F)c2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 745040357 HSDUALOAZKQUDH-LLVKDONJSA-N 440.349 4.355 5 20 IIBD C[C@H](OC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1nc(Cc2ccccc2)no1 745049672 FOULVCPDZVHUBW-ZDUSSCGKSA-N 431.832 4.295 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 745311128 RRUCXILHYLUMHL-VXGBXAGGSA-N 440.374 4.296 5 20 IIBD CNC(=O)c1cc(Oc2cc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)ccc2C)ccn1 748564317 VZQUEIUNZZRYGM-UXBLZVDNSA-N 432.436 4.102 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1cc(C)n(Cc2ccc(F)cc2)c1C 749785505 LEFZUYAXSBBQHS-UHFFFAOYSA-N 440.427 4.249 5 20 IIBD Cc1c(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cccc1N1CCOC1=O 755019339 OQCQNFKLCJHFJU-UHFFFAOYSA-N 438.209 4.014 5 20 IIBD Cc1ccc(OC(=O)CCc2nc(-c3cc(Br)cs3)no2)cc1[N+](=O)[O-] 755250179 NZYTTWUTDHDZRB-UHFFFAOYSA-N 438.259 4.315 5 20 IIBD CCOc1cc(COC(=O)c2cccnc2SCc2cc(C)on2)ccc1[N+](=O)[O-] 755520447 ODEVVWGHTOHYFZ-UHFFFAOYSA-N 429.454 4.334 5 20 IIBD C[C@@H]1CC(OC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 756045782 NBYHQUYKLXTVIP-IAGOWNOFSA-N 435.480 4.489 5 20 IIBD C/C(=C/c1ccccc1)CN(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br 756261715 DBBZXNMOVGPWLV-LCYFTJDESA-N 446.301 4.166 5 20 IIBD O=C(OCc1noc(-c2cccc(Cl)c2)n1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 756336414 IZOAWTCNYWVCCZ-UHFFFAOYSA-N 442.859 4.258 5 20 IIBD O=C(Nc1ccccc1CCC(F)(F)F)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 757438926 QIVWTXMEGCVOLF-CYBMUJFWSA-N 439.365 4.220 5 20 IIBD COc1ccc(-c2cncc(C(=O)OCC3CCN(c4ncccc4[N+](=O)[O-])CC3)c2)cc1 757878896 FOUQEEWUTFDHLX-UHFFFAOYSA-N 448.479 4.134 5 20 IIBD O=C(CCCOC(=O)c1c(F)ccc([N+](=O)[O-])c1F)c1ccc(Br)cc1 759564792 CVNXCPJYRMFNRJ-UHFFFAOYSA-N 428.185 4.455 5 20 IIBD C[C@H](OC(=O)c1ccc(Cl)cc1Br)C(=O)Nc1ccccc1[N+](=O)[O-] 761284458 ONIDXRZNUVNSIX-VIFPVBQESA-N 427.638 4.195 5 20 IIBD O=C(Nc1ccc(CC[C@H](O)c2ccccc2)cc1)c1cc([N+](=O)[O-])cc2c1OCCO2 763003202 PVTSZDFXWZBPBQ-NRFANRHFSA-N 434.448 4.285 5 20 IIBD O=C(O[C@@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc([N+](=O)[O-])c2cccnc12 766233902 UJXYEONXLJMWHV-GOSISDBHSA-N 425.828 4.149 5 20 IIBD CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)N2C(=O)CSc1ccccc1[N+](=O)[O-] 769670895 GQMFUULEJNNWGQ-MQVJKMGUSA-N 435.546 4.124 5 20 IIBD C[C@H](OC(=O)c1cc(Br)ncc1[N+](=O)[O-])C(=O)c1ccc(C(C)(C)C)cc1 769833635 PYBRYBQBPJLSKL-NSHDSACASA-N 435.274 4.478 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 770008882 GHZLJCTXZQNFFA-UHFFFAOYSA-N 441.246 4.031 5 20 IIBD O=C(COC(=O)c1cc(Br)cc([N+](=O)[O-])c1)Nc1cc(Cl)ccc1Cl 770155825 GKWYUXBRIJEYCZ-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD CCOc1cc(C(=O)N[C@H](C)[C@H](O)c2c(Cl)cccc2Cl)c([N+](=O)[O-])cc1OC 771711958 LTPCFJNQAHVRPQ-MGNBDDOMSA-N 443.283 4.161 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccnc(Cl)c3)cc2)cc1[N+](=O)[O-] 772070663 NRHXVWLTFIPAJA-UHFFFAOYSA-N 446.872 4.005 5 20 IIBD C[C@@H](OC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 772112128 DHHJQECYPLVUAE-CQSZACIVSA-N 443.456 4.055 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC1(c2cccc(OC(F)(F)F)c2)CCOCC1 772794545 QVTZWGIAOYVYLK-RMKNXTFCSA-N 436.386 4.329 5 20 IIBD C[C@@H](NC(=O)c1ccccc1NC(=O)CSc1ccc([N+](=O)[O-])cn1)c1ccccc1 772849858 WNQOPFUJGPBRQI-OAHLLOKOSA-N 436.493 4.212 5 20 IIBD COc1ccccc1-c1nn(C)cc1C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1 773425974 ONRZJDNONLJXKQ-UHFFFAOYSA-N 446.257 4.123 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccc(-n3c(C)nc4ccccc4c3=O)cc1)CC2 773990418 BXCCUSZWNYIQPI-UHFFFAOYSA-N 440.459 4.114 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 774520819 YYFCOSWHBHOFPV-NSHDSACASA-N 448.398 4.263 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 776265824 QYFZPKHPZGTARO-MRXNPFEDSA-N 443.656 4.364 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1 776346880 JMTBCATYGLXZRJ-UHFFFAOYSA-N 434.417 4.253 5 20 IIBD O=C(OCc1ccc(OCC(F)(F)F)nc1)c1cc([N+](=O)[O-])ccc1Br 776401656 OHUWXUBDNFWDJQ-UHFFFAOYSA-N 435.152 4.050 5 20 IIBD COc1cccc([C@H]2[C@H](C(=O)OCc3cc(Cl)ccc3[N+](=O)[O-])CC(=O)N2C2CC2)c1 776452693 BKNWBXOKQHUHKZ-NQIIRXRSSA-N 444.871 4.052 5 20 IIBD O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1cc(F)cc([N+](=O)[O-])c1Br 776715008 HSRUGGQXJJGNLH-GFCCVEGCSA-N 442.672 4.159 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1cc(Cl)ccc1OC[C@H]1CCCCO1 778202537 BYOVQPBFGZMXDW-OAHLLOKOSA-N 438.839 4.353 5 20 IIBD C[C@@H]1CN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)cc2F)C[C@@H](C)O1 778605119 VUIXCMZGLBZSIW-VXGBXAGGSA-N 439.390 4.201 5 20 IIBD COc1ccc(NC(=O)[C@@H](OC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C(C)C)cc1 778887213 OEZPTLAWTWYBIC-KRWDZBQOSA-N 438.383 4.025 5 20 IIBD Cc1cc(Br)ccc1CC(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 778905484 IRXNWBRRKRWHDN-UHFFFAOYSA-N 432.230 4.002 5 20 IIBD CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)[C@H](O)c1c(F)cccc1F 786415671 XYRFVFICVSPTJW-RDJZCZTQSA-N 443.244 4.186 5 20 IIBD COc1cnc2ccccc2c1C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791245397 PUCVPOZYPANUIH-UHFFFAOYSA-N 442.269 4.113 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c(F)c1 792916666 ZPYAGXZSHFJNNE-LBPRGKRZSA-N 436.281 4.190 5 20 IIBD CCn1nc(C)c([N+](=O)[O-])c1NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F 795082459 YTDFNFKKLAYTJK-CQSZACIVSA-N 426.317 4.000 5 20 IIBD COc1c(C(=O)Oc2ccc(C(=O)N3CCc4sccc4C3)cc2)cccc1[N+](=O)[O-] 796647455 APGSSQSMKKOMTQ-UHFFFAOYSA-N 438.461 4.083 5 20 IIBD CCOc1cc(N2CCC(OC(=O)Cc3c(C)nn(C(C)C)c3C)CC2)ccc1[N+](=O)[O-] 796913388 YQRYJNMVDVLEGZ-UHFFFAOYSA-N 444.532 4.142 5 20 IIBD Cc1ccc(Cl)c(N(Cc2cccnc2)S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 799187433 SAFXRPBENGHUES-UHFFFAOYSA-N 435.864 4.486 5 20 IIBD O=C(OCc1cccc(-c2ccccn2)c1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 800976960 KWOMHVHMXNIUCJ-SFHVURJKSA-N 437.477 4.066 5 20 IIBD Cc1ccc(-n2nc(Br)cc2C(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1 804178944 REOUSSPQLFSITB-UHFFFAOYSA-N 443.301 4.166 5 20 IIBD COc1cc(CNCc2cccc3c2CCCN3C(=O)OC(C)(C)C)c([N+](=O)[O-])cc1O 808432703 XKAHXPOFFGMHTD-UHFFFAOYSA-N 443.500 4.287 5 20 IIBD O=C(OCc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 811123341 QBVHWJGEBKHHBZ-CYBMUJFWSA-N 429.281 4.311 5 20 IIBD C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1ccc(N2CCCCC2=O)cc1 811969016 VKLQVBWIDFRORN-OAHLLOKOSA-N 427.476 4.406 5 20 IIBD O=[N+]([O-])c1cccc(Br)c1OS(=O)(=O)c1ccc(C(F)(F)F)s1 812503221 LQCAYTCRTKACRK-UHFFFAOYSA-N 432.195 4.205 5 20 IIBD Cc1cccc(C(=O)N2CCCN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC2)c1 813405736 PZYOQPIOQMCKNL-UHFFFAOYSA-N 436.295 4.198 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](C)c1ccc(N2CCCOC2=O)cc1 814355632 PFVNGHDYEXYCNL-KGLIPLIRSA-N 447.875 4.240 5 20 IIBD C[C@H](Cc1cnc2ccccc2n1)C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 815461529 AAOQHNGCVAQQFC-ZIAGYGMSSA-N 433.424 4.071 5 20 IIBD O=C(C[C@H]1OC(=O)c2ccccc21)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 909759447 QRGATYRUEXDSOD-HXUWFJFHSA-N 432.388 4.054 5 20 IIBD CC1=C(C(=O)N(C)C)[C@H](c2ccccc2[N+](=O)[O-])NC(=S)N1c1ccc(F)c(Cl)c1 916167750 DNPBSPDUGOGKEU-SFHVURJKSA-N 448.907 4.185 5 20 IIBD COc1cc(/C=C/C(=O)NCc2ccccc2[N+](=O)[O-])ccc1OCc1c(C)noc1C 916422970 VPYMGKHWGCFSMN-PKNBQFBNSA-N 437.452 4.117 5 20 IIBD CCCCOc1ccc(-c2nnc(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)o2)cc1 916986507 GYAOAQKDQVNKIA-UHFFFAOYSA-N 437.500 4.146 5 20 IIBD CCCCc1c(C)nc2nc(S[C@@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)nn2c1C 917262486 VNQJUJTXZIEFLY-ZDUSSCGKSA-N 446.508 4.250 5 20 IIBD Cc1c(NC(=O)[C@@H](C)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cccc1[N+](=O)[O-] 917936968 XTUHSTSLLMMRCZ-IJEWVQPXSA-N 430.480 4.095 5 20 IIBD CCCc1c(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)[nH]c(C)c1C(C)=O 919482819 ROJUGHVOIHIRJH-GFCCVEGCSA-N 435.864 4.224 5 20 IIBD O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 919490498 LDJXCJCURHZMRO-UHFFFAOYSA-N 440.868 4.325 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-])c1ccccn1 919713304 SCRBXLJVEZBSIT-OAHLLOKOSA-N 435.440 4.343 5 20 IIBD C[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1cccc(NC(=O)c2ccccc2)c1 921266337 IBTXKEIUGPNWGV-HNNXBMFYSA-N 437.427 4.242 5 20 IIBD Cc1c(I)cccc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 1116515910 QMLZOFAGPMCVEI-UHFFFAOYSA-N 435.221 4.101 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(S(=O)(=O)c1ccc(OCC(F)F)c3ccccc13)C2 1252153020 FKLFLIOMPQSDOP-UHFFFAOYSA-N 434.420 4.096 5 20 IIBD COc1ccc2[nH]c(C)c(C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c2c1 1319450840 YNDWLRYRMCEROL-NSHDSACASA-N 431.832 4.231 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCC(C(=O)c3cccs3)CC2)cc1[N+](=O)[O-] 1319550666 APZCIFTYQKMIPD-UHFFFAOYSA-N 437.315 4.462 5 20 IIBD O=C(NC1CC1)[C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 1319717459 XXTHTHIUHWXFLL-ZDUSSCGKSA-N 448.317 4.108 5 20 IIBD O=C(c1cc(Br)c(Br)[nH]1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 1338868610 PBOIHZYFCZSVJJ-UHFFFAOYSA-N 443.095 4.253 5 20 IIBD COc1ccc(CN(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@@H](C)C2CC2)c(OC)c1 1346274747 QSFKPHYDKMUVFT-AWEZNQCLSA-N 429.473 4.453 5 20 IIBD CC[C@H]1CC[C@H](C(=O)NC2(c3ccc(NC(=O)c4n[nH]cc4[N+](=O)[O-])cc3)CCC2)CC1 1789692231 VTEZHZJXQGOULR-WKILWMFISA-N 439.516 4.282 5 20 IIBD Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC=CCC2)cc(Cl)cc1[N+](=O)[O-] 1793002968 DCGPVLGLRLJGSK-NRSFXHEJSA-N 431.920 4.165 5 20 IIBD Cc1ccc([C@H](C)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2cccc([N+](=O)[O-])c2)cc1 1793944621 ZQWTVFPNRXJSRK-IITNATTFSA-N 449.551 4.278 5 20 IIBD CC[C@@H](C(=O)N1CCC2(CCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)CC1)c1ccccc1 1804646362 XVXPEOCFLRFNRX-LJQANCHMSA-N 439.512 4.226 5 20 IIBD Cc1cc(Cl)ccc1C(=O)N1CCCC2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)C1 1805091498 NTZQBUPXOSZJMO-UHFFFAOYSA-N 444.919 4.043 5 20 IIBD C/C=C(\C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])[nH]n1 1821888741 ZHODJNSGUMCDIP-IXFQTGQWSA-N 445.907 4.172 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCC([C@@H]2CCCCN2C(=O)C2CCCC2)CC1 1826257400 VZMWVDSJKYIHBA-QFIPXVFZSA-N 445.535 4.086 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=CCCC2)CC1 1826279207 SZKXIELECDWOKY-NRFANRHFSA-N 443.519 4.386 5 20 IIBD Cc1ccc(CC(=O)N2CC3(CCCN3C(=O)c3ccc(CC(C)C)cc3)C2)cc1[N+](=O)[O-] 1845465266 RHHPMUBFLIOCIN-UHFFFAOYSA-N 449.551 4.161 5 20 IIBD O=C(CCC1CCC1)N1CC2(CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 1845738178 IMVGITXFAVFLGM-UHFFFAOYSA-N 427.526 4.207 5 20 IIBD C[C@@H](OC(=O)c1cc(Br)ccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 3467316 PJHPTOBDWMWBLA-SECBINFHSA-N 427.638 4.195 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 17958734 YHABMFYGVRPZGH-UHFFFAOYSA-N 448.298 4.249 5 20 IIBD O=C(NCc1ccc(COCc2ccccc2)cc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 32739093 YBYRNYSAOQDINQ-UHFFFAOYSA-N 442.475 4.427 5 20 IIBD CCOC(=O)c1cnn(-c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1C(F)(F)F 58745380 JDHXKOXGGXEWFE-UHFFFAOYSA-N 448.357 4.228 5 20 IIBD CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2cc(CC)nc(-c3ccc([N+](=O)[O-])cc3)n2)C1 64915854 WQQJSPSDNUAIJT-FUHWJXTLSA-N 425.533 4.135 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cc(C)nn2-c2cccc(Cl)c2)cc([N+](=O)[O-])c1 105409357 LKDVOMXOPRLSTI-UHFFFAOYSA-N 428.832 4.171 5 20 IIBD C[C@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)c1ncc(-c2ccccc2)o1 301338892 FFYZBJJBHBMJOM-HNNXBMFYSA-N 442.497 4.207 5 20 IIBD O=C(N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1ccc([N+](=O)[O-])cc1Cl 303561906 XMMRIFKCHZTQKP-CQSZACIVSA-N 426.275 4.435 5 20 IIBD Cc1cnc(OCC(=O)N(Cc2ccccc2)c2nc3c(s2)CCCC3)c([N+](=O)[O-])c1 426595732 LTRMJMFKGDOXTN-UHFFFAOYSA-N 438.509 4.246 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 428579516 GLJDRJRKUAIFNL-GFCCVEGCSA-N 443.843 4.170 5 20 IIBD COc1cc(CN[C@@H](C)[C@@H]2OCCc3sccc32)c([N+](=O)[O-])cc1OCC(F)F 429121529 GXBWTCOTNLMBSN-WLRWDXFRSA-N 428.457 4.101 5 20 IIBD COc1cccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 429830625 XFOKRUHHTVDRQG-KRWDZBQOSA-N 449.301 4.187 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccccc1OC[C@@H]1CCCCO1 431579735 SCYINTOQEUZNMW-INIZCTEOSA-N 437.452 4.108 5 20 IIBD COc1cc(CNc2cccc(N3CCNC3=O)c2)c([N+](=O)[O-])cc1OCc1ccccc1 432412942 JPSKCFYHIIMECH-UHFFFAOYSA-N 448.479 4.324 5 20 IIBD CC(C)c1[nH]nc(C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)c1[N+](=O)[O-] 433762544 PTYHRUXIBUIKLA-ZDUSSCGKSA-N 431.251 4.101 5 20 IIBD O=C(N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 438072950 NEFKXNCBFCSQJI-KOMQPUFPSA-N 437.422 4.103 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2cccc(CC(F)(F)F)c2)c1 438774962 PHZNQWLCDMNDDO-UHFFFAOYSA-N 439.209 4.263 5 20 IIBD COc1cc(OC)c2cc(CCCNC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)[nH]c2c1 440931332 UKPFRBRRIIQXMG-AWEZNQCLSA-N 443.525 4.323 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)Nc2ccccc2)cc1 442544053 RUMHCGBZVFJHOU-OAHLLOKOSA-N 447.451 4.055 5 20 IIBD CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 443884514 OJKLHUFTBKNQNB-UHFFFAOYSA-N 429.826 4.471 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444089128 UXAYJKJCPDRBFW-UHFFFAOYSA-N 433.439 4.481 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](CO)Cc1cc(F)c(F)c(F)c1 444424455 BDWWBFGOBMOZIP-ZDUSSCGKSA-N 442.459 4.094 5 20 IIBD CC(C)c1c(C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cnn1-c1ccccc1Cl 444632636 GVDZOXHYSKUHLV-UHFFFAOYSA-N 438.875 4.364 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 444897460 FCYURZPZHGFGQH-KRWDZBQOSA-N 425.363 4.228 5 20 IIBD C[C@H]1CN(CCC2CCN(C(=O)c3cccc4c(=O)c5ccccc5[nH]c34)CC2)C[C@@H](C)O1 444996577 BLOQFNLOERVAOT-KDURUIRLSA-N 447.579 4.033 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)Cc1noc(/C=C\c2ccccc2[N+](=O)[O-])n1 445313666 BETCYBHDYZDNEC-FPLPWBNLSA-N 428.832 4.300 5 20 IIBD Cn1cnc([N+](=O)[O-])c1-c1noc(Cc2cccc(OCc3ccc(Cl)cc3)c2)n1 445574722 NBDOVXOXNPIPJL-UHFFFAOYSA-N 425.832 4.202 5 20 IIBD CCOc1cc(CNc2ccc(F)cc2F)ccc1OCCn1c([N+](=O)[O-])cnc1C 445761041 RYUGZOBDRNJJLC-UHFFFAOYSA-N 432.427 4.468 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(-c3nc([C@H]4CN5CCCC[C@@H]5CO4)no3)cc2[N+](=O)[O-])C1 445817609 GPYFDMMXXOUREJ-BZSOYRFXSA-N 441.532 4.053 5 20 IIBD C[C@H](Oc1ccccc1Br)C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 460350257 QKQINEBHFMPKRJ-KPZWWZAWSA-N 437.315 4.399 5 20 IIBD COC[C@@H]1CCCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2ccccc2)C1 460436370 KXCYOVXGMSNYCR-HXUWFJFHSA-N 435.528 4.349 5 20 IIBD O=C(c1cc(C(=O)N2CCC[C@H]3CCC[C@@H]32)cc([N+](=O)[O-])c1)N1CCC[C@@H]2CCC[C@@H]21 461013301 FXQQSFREDFOZRQ-YVCBRDFCSA-N 425.529 4.404 5 20 IIBD COc1cccc(Cl)c1-c1noc(C)c1C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 461395526 VNDCRHGZAIOZMD-UHFFFAOYSA-N 443.843 4.255 5 20 IIBD COc1ccccc1C[C@@H](C)N(C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 462611722 FNNSRSPVZIYWSL-LLVKDONJSA-N 433.313 4.162 5 20 IIBD COCCN(C(=O)c1ncccc1CSC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 463094588 PEBUFMRJEOKJDU-UHFFFAOYSA-N 444.538 4.270 5 20 IIBD Cc1ccc(CN(Cc2cccs2)C(=O)Cn2cc([N+](=O)[O-])cn2)c(Br)c1 466747103 DQEYIUHPSATOCL-UHFFFAOYSA-N 449.330 4.153 5 20 IIBD O=[N+]([O-])c1ccccc1OCCN(Cc1cccc(Br)c1)C1CCOCC1 467301704 QPGRXSYWKLMJQU-UHFFFAOYSA-N 435.318 4.417 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3cccc(Nc4cnn(C)c4)c3)cc2)c(C)c1[N+](=O)[O-] 469018926 QUKNWXDSTHWBNM-UHFFFAOYSA-N 445.483 4.186 5 20 IIBD CS(=O)(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)s1 470852100 TVAUBCLOJIHODE-UHFFFAOYSA-N 448.547 4.141 5 20 IIBD COc1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2SC(C)C)cc1[N+](=O)[O-] 473223878 NRJGTNJDMMGXKF-UHFFFAOYSA-N 437.905 4.012 5 20 IIBD Cc1c(NC(=O)N2CCN(C(=O)c3cc4sccc4s3)CC2)cccc1[N+](=O)[O-] 473685108 DAXDNZJEUGLMTH-UHFFFAOYSA-N 430.511 4.169 5 20 IIBD C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1nc(Cc2ccccc2)no1 475226773 ZUAVTEWIQAXMLH-NSHDSACASA-N 435.362 4.470 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(OC2CCCCC2)cc1 478134210 BVIDTPPJUFYCHA-UHFFFAOYSA-N 445.903 4.257 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H](CO)c1c(Cl)cccc1Cl 478436260 QRQCFUAYHDXODZ-AWEZNQCLSA-N 448.100 4.056 5 20 IIBD CCn1c(S[C@H](C)C(=O)NCc2ccccc2Cl)nnc1-c1ccc([N+](=O)[O-])cc1 481360540 UPFMQHUAMVODIX-CYBMUJFWSA-N 445.932 4.324 5 20 IIBD CCC(C)(C)OCc1cccc(NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)c1C 483809471 QOFGQLXWAWBHIV-UHFFFAOYSA-N 427.501 4.172 5 20 IIBD CCCc1nc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2I)s1 485707305 WRBGSKKWLBYZDM-UHFFFAOYSA-N 431.255 4.169 5 20 IIBD COC(=O)c1cc(NC(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)c(C)c([N+](=O)[O-])c1 485969701 XBDDLUBAKMMIKH-UHFFFAOYSA-N 447.447 4.219 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@H](C)c2cccc(N3CCCC3)c2)c(C)c([N+](=O)[O-])c1 486864962 JPZZBXYGLDPTKJ-OAHLLOKOSA-N 426.473 4.173 5 20 IIBD Cc1ccc([C@H](C)NC(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)cc1[N+](=O)[O-] 488043813 ACWZGJBJWCDLJC-WMLDXEAASA-N 449.429 4.148 5 20 IIBD Cc1ccc([C@H](C)NC(=O)c2cccc(NC(=O)[C@H]3Cc4ccccc4O3)c2)cc1[N+](=O)[O-] 488090925 LOBLNPAWZGBHRE-QMHKHESXSA-N 445.475 4.336 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCc1ccc(-n2cnc3ccccc32)cc1 488793471 CXTJDQINQUKWNU-UHFFFAOYSA-N 442.884 4.066 5 20 IIBD Cc1ccccc1CN(Cc1cccnc1)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 490223831 KAZMBRBNRHVFNA-UHFFFAOYSA-N 427.464 4.327 5 20 IIBD CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1c(Cl)cccc1[N+](=O)[O-] 498037769 GGMDWJBAEXASDD-UHFFFAOYSA-N 429.782 4.368 5 20 IIBD O=C(Cc1cccc(OCC(F)(F)F)c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 498151604 BZLKENGQPTZMJV-GOSISDBHSA-N 426.416 4.353 5 20 IIBD O=C(NCc1ccc(F)cc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 498170206 WFHMEDJPFXUEKF-UHFFFAOYSA-N 444.422 4.464 5 20 IIBD Cc1ccc(Sc2ccc(CN3CCC[C@@H](S(C)(=O)=O)CC3)cc2[N+](=O)[O-])cc1 503095520 FFNSHRYIURZYKV-LJQANCHMSA-N 434.583 4.454 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccn(CCc4ccncc4)n3)cc2[N+](=O)[O-])C1 503357986 TYPNAIZTDQTUCN-HDICACEKSA-N 448.527 4.164 5 20 IIBD O=[N+]([O-])c1ccc(CCS(=O)(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1 503495042 XJJSOXCWKCAWHE-UHFFFAOYSA-N 428.432 4.151 5 20 IIBD C[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccc(NC(=O)c2ccncc2)cc1 505953443 NKZXCEKZABQQFM-CQSZACIVSA-N 429.436 4.214 5 20 IIBD CCOc1cc(NC(=O)N(C)Cc2ccc(OC)cc2OC)c([N+](=O)[O-])cc1OCC 507685756 VJRKBMATGWETPH-UHFFFAOYSA-N 433.461 4.073 5 20 IIBD Cc1ccc(NC(=O)c2ccc(=O)n(CCOc3ccccc3Cl)c2)cc1[N+](=O)[O-] 508153854 YPDZIVFSSLMBFX-UHFFFAOYSA-N 427.844 4.050 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(OC[C@H](OC)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 508982166 GJXUMNOLJRSCOI-IBGZPJMESA-N 442.921 4.045 5 20 IIBD Cc1ccc(Oc2ccccc2NC(=O)Cn2c(-c3ccc([N+](=O)[O-])cc3)noc2=O)cc1 509055503 GRDXMXZOWMDJOL-UHFFFAOYSA-N 446.419 4.151 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 509198485 TVTDNJCKGRTOSV-GOSISDBHSA-N 435.933 4.255 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccnc(Oc3ccccc3)c2)ccc1[N+](=O)[O-] 511339646 CZWWOTHGEYHCEF-NRFANRHFSA-N 446.463 4.334 5 20 IIBD COc1cc(C(=O)Nc2cccc3ncccc23)c([N+](=O)[O-])cc1OCc1cscn1 512375748 XGVPQEBLPJJJNS-UHFFFAOYSA-N 436.449 4.439 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 517770927 XGXUMVMNDZGZII-JOCHJYFZSA-N 445.479 4.002 5 20 IIBD CN(Cc1ccccc1CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCCC1 521495648 TUQKAFGKLUBLIS-UHFFFAOYSA-N 447.539 4.475 5 20 IIBD O=C(Nc1nnc(C(F)F)s1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 522893790 PYCBDIGWSIWUSO-UHFFFAOYSA-N 435.199 4.129 5 20 IIBD CC(=O)Nc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Nc2ccccc2)ccc1F 522958497 TXXKQRWQFFSOGA-UHFFFAOYSA-N 444.444 4.237 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)Nc1ccccc1I 523555744 XIGAXSYOFGQJSQ-UHFFFAOYSA-N 439.253 4.344 5 20 IIBD COc1cc(C(=O)N(C)CC2(c3ccc(Br)cc3)CC2)cc([N+](=O)[O-])c1OC 524984169 VKFWHBWXYUUCJV-UHFFFAOYSA-N 449.301 4.178 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H](c1ccncc1)c1ccc(Cl)cc1 530903105 OTTRHNIMWKORLA-FQEVSTJZSA-N 431.901 4.362 5 20 IIBD C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)COc1ccc(Br)cc1[N+](=O)[O-] 532149963 JJKXBMYSZIYCCT-JTQLQIEISA-N 429.217 4.234 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C(F)(F)F)cc1 536468959 XMJIVYKFMFYJRV-UHFFFAOYSA-N 442.415 4.199 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3C[C@H](O)CN3Cc3ccccc3)o2)c(Cl)c1 537321248 PJMVIRNTJYFBIB-OALUTQOASA-N 441.915 4.233 5 20 IIBD O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 538901183 CVTYSUCNKWBXLW-QVKFZJNVSA-N 448.928 4.467 5 20 IIBD C[C@@H](CC(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1)NC(=O)C1CCCCC1 539356024 WHUGLSVWDTYATA-AWEZNQCLSA-N 430.530 4.156 5 20 IIBD C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCC1(c2ccc(Cl)cc2)CCOCC1 540191522 PUWPBJPUDLBNPJ-MRXNPFEDSA-N 431.920 4.303 5 20 IIBD Cc1ccc(-c2nn(C[C@@H](O)COc3ccccc3[N+](=O)[O-])c(=O)c3ccccc23)cc1C 541262011 RRTPTPJUXNLCLH-LJQANCHMSA-N 445.475 4.028 5 20 IIBD Cc1nc(-c2ccc([C@H](C)NCCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cs1 541327488 ZMBVDYNAOQULHA-AWEZNQCLSA-N 431.539 4.151 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@H](c2ccc(F)c(F)c2)C1 544232051 KEHFOHXUVJCRMP-INIZCTEOSA-N 428.844 4.219 5 20 IIBD COc1ccc(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)cc1Cl 544817549 UCRYUAHRSMSBAQ-UHFFFAOYSA-N 438.823 4.309 5 20 IIBD CC(C)(C(=O)Nc1ccc(F)cc1I)c1ccc([N+](=O)[O-])cc1F 546535352 TWMASMOGWZLHQN-UHFFFAOYSA-N 446.191 4.394 5 20 IIBD O=[N+]([O-])c1ccc2nc(O)cc(-c3nc(Cc4ccc(Br)s4)no3)c2c1 547000132 KNLIBDBSKZPHKK-UHFFFAOYSA-N 433.243 4.313 5 20 IIBD COc1ccc(CC(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)cc1[N+](=O)[O-] 548726351 HQFCNTCYKJWJPH-QGZVFWFLSA-N 448.317 4.012 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NCc1c(F)cccc1N1CCCC1 554123266 GCCMZKSMFYHWJQ-UHFFFAOYSA-N 440.397 4.352 5 20 IIBD CCc1ccc([C@H]2CCN(C(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)C2)cc1 558305366 XTMHQFVPVJNQRE-SFHVURJKSA-N 437.525 4.067 5 20 IIBD C[C@H](NC(=O)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1)c1cccc([N+](=O)[O-])c1 569845014 GQFBHPJACBCPCV-HNNXBMFYSA-N 434.489 4.088 5 20 IIBD COc1cc(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OC 603573205 WKRMCFZYOZMMEP-RKDXNWHRSA-N 444.328 4.251 5 20 IIBD COC(=O)c1cc(C(=O)N(Cc2csc(C)n2)c2ccc(F)cc2)cc([N+](=O)[O-])c1 603774593 GMNAFLDNPDZSLT-UHFFFAOYSA-N 429.429 4.132 5 20 IIBD C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 604043444 IZQAUDXEUBGRCL-AWEZNQCLSA-N 443.456 4.026 5 20 IIBD Cc1cc(C(=O)Nc2ccc(Oc3ccc(S(C)(=O)=O)cc3)cc2)ccc1[N+](=O)[O-] 608809769 QFCIIXWPBMJNIE-UHFFFAOYSA-N 426.450 4.351 5 20 IIBD COc1ccc(C(=O)Nc2ccc(C(=O)Nc3cccnc3)c(Cl)c2)cc1[N+](=O)[O-] 608874899 MGOKPCDYFNSEOW-UHFFFAOYSA-N 426.816 4.156 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N(Cc1ccc(O)cc1)Cc1ccco1 609030361 HEEPQMVFJIMSGJ-UHFFFAOYSA-N 435.480 4.339 5 20 IIBD COc1ccc(-c2nc(CSCc3ccc(C(N)=O)cc3[N+](=O)[O-])cs2)c(OC)c1 609236303 RPAVBJZURWOIMD-UHFFFAOYSA-N 445.522 4.268 5 20 IIBD Cc1nc(-c2ccc(NC(=O)CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2)cs1 609393518 DKXSSGCOEPCOHG-UHFFFAOYSA-N 430.873 4.049 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCC1(c2cccc(Br)c2)CC1 609663479 AOXKLKSPJMJJHO-UHFFFAOYSA-N 432.318 4.397 5 20 IIBD Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)n(-c2ccc(C(F)(F)F)cn2)n1 609785266 VTVBVLYMKXQGSB-UHFFFAOYSA-N 439.781 4.337 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1 610069446 MHARMIYUELRIIY-DOMZBBRYSA-N 437.855 4.384 5 20 IIBD O=C(c1cc(N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)ccc1[N+](=O)[O-])N1CCCC1 610587494 CUECOEKWQMXAPP-STQMWFEESA-N 425.329 4.008 5 20 IIBD CNc1ccc(C(=O)N[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)cc1[N+](=O)[O-] 610927184 OEJZJRJSKXLMOQ-LJQANCHMSA-N 447.417 4.472 5 20 IIBD Cc1c(Br)cc(C(=O)N[C@H](Cn2cccn2)c2ccccc2)cc1[N+](=O)[O-] 611073231 BLJMRFPEZNQTCI-QGZVFWFLSA-N 429.274 4.034 5 20 IIBD CCOC(=O)C[C@@H](c1ccccc1)C1CCN(c2ncnc3ccc([N+](=O)[O-])cc23)CC1 611700991 LQNJJJLVWMDQIY-FQEVSTJZSA-N 434.496 4.491 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1OCc1cc(F)cc2c1OCOC2 612660922 FYARLKUHJFELID-UHFFFAOYSA-N 435.205 4.490 5 20 IIBD CC(C)[C@@H](OC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C(=O)Nc1cccc2ncccc12 725935703 RPRPUNPNFAHNKZ-LJQANCHMSA-N 429.379 4.241 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F 727712109 QPSVSZLWPDSQQE-UHFFFAOYSA-N 429.717 4.239 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Oc3ccc(N(C)C(N)=O)cc3)cc2[N+](=O)[O-])n1 728270364 GTUUTURAQWIKLS-UHFFFAOYSA-N 444.494 4.245 5 20 IIBD Cc1cn(CN(C)CCCc2cc(-c3ccccc3)no2)c(=O)n1-c1ccccc1[N+](=O)[O-] 728708721 LUDPWDDHRWMHHC-UHFFFAOYSA-N 447.495 4.033 5 20 IIBD O=C(CSc1nnc(-c2cccs2)n1C1CC1)OCc1c(F)cccc1[N+](=O)[O-] 728998292 FVYWDHSVBPZESK-UHFFFAOYSA-N 434.474 4.224 5 20 IIBD CC(C)Oc1ccccc1NC(=O)c1ccc(I)c([N+](=O)[O-])c1 729260516 FVIMNJFUHHPENF-UHFFFAOYSA-N 426.210 4.239 5 20 IIBD CSc1ccc(C(=O)O[C@@H]2CCCN(C(=O)c3ccccc3Cl)C2)cc1[N+](=O)[O-] 732610815 WMWOJJRHEKZMDF-CQSZACIVSA-N 434.901 4.432 5 20 IIBD C[C@@H](CCN(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 733167537 ZJKFEGCMYBMPFL-IBGZPJMESA-N 438.572 4.124 5 20 IIBD Cc1cccc2c(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4C(F)(F)F)CC3)c[nH]c12 741185126 PXDZGPGQKRBYIZ-UHFFFAOYSA-N 446.429 4.295 5 20 IIBD CNC(=O)c1cc(C)ccc1NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 741199619 VFZFSJMOTPAYTJ-OAHLLOKOSA-N 433.468 4.083 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 742872895 KNJOCXATXCYLOU-CQSZACIVSA-N 431.470 4.054 5 20 IIBD Cn1c(-c2ccccc2F)nn(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1=S 743389751 CJIVERNUEWYQLB-UHFFFAOYSA-N 443.504 4.166 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@H]3C[C@@]34CCCc3ccccc34)CC2)ccc1[N+](=O)[O-] 744175968 WXPKNYOWZWDIOP-PXDATVDWSA-N 436.508 4.410 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 744193957 HACXOAHTJMCNQT-VQIMIIECSA-N 444.488 4.021 5 20 IIBD C/C(=C\C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1cccc(C(F)(F)F)c1 745482244 CRJJIJPCGAQZKD-YRNVUSSQSA-N 426.322 4.338 5 20 IIBD C[C@H](OC(=O)[C@@H]1C[C@@]12CCCc1ccccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 745715021 GTHWGOKPFPORCD-YOKWENHESA-N 428.872 4.413 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2 745775262 HCHOSSDDHXZRSM-AWEZNQCLSA-N 427.457 4.480 5 20 IIBD COC(=O)c1sc2ccccc2c1S(=O)(=O)Oc1ccc([N+](=O)[O-])c(Cl)c1 751045164 SLAHCYNLSWMSKG-UHFFFAOYSA-N 427.843 4.017 5 20 IIBD COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1Br 751257080 YQLURMPIZCTOFR-UHFFFAOYSA-N 448.317 4.286 5 20 IIBD O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)OCc1nc2cc([N+](=O)[O-])ccc2o1 751625473 TWTVGOAFPQVBQA-UHFFFAOYSA-N 447.403 4.002 5 20 IIBD CN(C)C(=O)Sc1cccc(COC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1 752530728 WQQHJYKGRIEOCP-UHFFFAOYSA-N 439.287 4.488 5 20 IIBD Cc1cc(C(=O)Nc2ccc(Cl)c(C(=O)NCc3cccs3)c2)c(N)c([N+](=O)[O-])c1 752788434 BZIIVVCFYFQBBI-UHFFFAOYSA-N 444.900 4.383 5 20 IIBD O=C(OC[C@H]1CC(=O)N(C2CC2)C1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 754762971 JXWZZKMXKWIUEM-ZDUSSCGKSA-N 430.844 4.208 5 20 IIBD O=C(Nc1ccnn1Cc1ccc(F)cc1)c1cc(F)cc([N+](=O)[O-])c1Br 754996712 PYUBHGNTLFGCEL-UHFFFAOYSA-N 437.200 4.133 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)OC[C@@H]1CCC(=O)N(C)[C@H]1c1cccc(Cl)c1 755784522 FYICTVINDUULKS-XOBRGWDASA-N 432.860 4.023 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(CCNc2cc3ncnc(O)c3cc2[N+](=O)[O-])cc1 756142521 UHGBAIVFKZZXBZ-UHFFFAOYSA-N 425.445 4.245 5 20 IIBD C[C@H](OC(=O)Cc1c(F)cccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 756630121 AVSDDMOWEWYLED-VIFPVBQESA-N 432.301 4.005 5 20 IIBD C[C@H](OC(=O)C(F)(F)c1c(F)cccc1F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 757829811 UIIYXHSZOAINIY-QMMMGPOBSA-N 434.729 4.189 5 20 IIBD Cc1cc(F)cc(C(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c1[N+](=O)[O-] 758465326 LCYRXZXQISNRNB-AWEZNQCLSA-N 428.395 4.251 5 20 IIBD C[C@H](C[C@H]1CCOC1)NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 759964655 IRTNQSDOUURBCV-ZIAGYGMSSA-N 431.876 4.045 5 20 IIBD O=C(OCc1ccc(OCc2cccnc2)cc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 763872438 ZXVKXSYEJBKIKC-UHFFFAOYSA-N 430.420 4.112 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(O)(c2ccccc2Cl)CC1 765535153 HZRWSLSIKZYKCP-UHFFFAOYSA-N 438.311 4.137 5 20 IIBD COc1cccc(C(=O)OCC(=O)N[C@@H](c2ccc(C)cc2)c2cccs2)c1[N+](=O)[O-] 769602334 OGJMMXJLCMIHPO-FQEVSTJZSA-N 440.477 4.036 5 20 IIBD O=C(OCc1ccc(OCc2cccnc2)cc1)c1cc(Br)ncc1[N+](=O)[O-] 769825969 NYWMZLHDMYKSLI-UHFFFAOYSA-N 444.241 4.083 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cnc(Cc2ccccc2F)s1 772826971 USPVPJDPEIWPDD-UHFFFAOYSA-N 430.413 4.005 5 20 IIBD CC(C)(C)OC(=O)N1CCc2ncc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2C1 773405498 MXZZSKARBBYTDY-UHFFFAOYSA-N 432.864 4.189 5 20 IIBD CCOC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] 776418596 UZTOBZDBUZCNIZ-LJQANCHMSA-N 426.856 4.306 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1CCCN(C(=O)OCC)C1 776997750 CGBMTXBGYOPXEZ-HZPDHXFCSA-N 437.562 4.474 5 20 IIBD O=C(Cc1csc(NC(=O)c2ccccc2F)n1)OCc1ccc([N+](=O)[O-])cc1Cl 778092148 QREUHMQVRNYCCN-UHFFFAOYSA-N 449.847 4.382 5 20 IIBD Cc1c(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 778137381 HYVGZAIULACRBD-GFCCVEGCSA-N 435.820 4.132 5 20 IIBD CC[C@H]1C[C@@H](OC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 779289386 DUFMYJDOBGCJND-VXKWHMMOSA-N 435.480 4.491 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 779383357 CHDIWJBNCOFJGS-ICSRJNTNSA-N 435.883 4.228 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 780634591 IAZMZBRYQGYKTI-UHFFFAOYSA-N 449.872 4.321 5 20 IIBD O=C(COC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)NC1CCCCCCC1 781256352 DKZIYXLQGRQNSM-UHFFFAOYSA-N 442.462 4.345 5 20 IIBD O=C(O[C@@H]1CCCN(c2cccc(F)c2)C1=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 781258765 DBOFCCRQGAKMPF-JOCHJYFZSA-N 430.435 4.173 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCCc2cc(OC(F)(F)F)ccc21 781615983 YPMJVEOXSGQEET-UHFFFAOYSA-N 439.346 4.314 5 20 IIBD C[C@H](CC(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1c[nH]c2ccccc12 786404576 OFYGJRKRQMUBRL-IAGOWNOFSA-N 435.480 4.418 5 20 IIBD Cc1c(CNC(=O)N2CCC([C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)cccc1[N+](=O)[O-] 790558696 HNPPQWSTGYCLNF-FQEVSTJZSA-N 446.548 4.224 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(COC(=O)c2cc3nccnc3cc2F)cc1OC 795871427 ZCUULUNXZODLFK-CYBMUJFWSA-N 443.431 4.468 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN(Cc1ccccc1)C[C@@H](O)c1ccccc1 796357963 PBDRZQABCAJTHW-HSZRJFAPSA-N 447.491 4.129 5 20 IIBD C[C@@H](NC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])c1nc2ccccc2s1 796484404 YGUFSMQHZPMTMW-LLVKDONJSA-N 449.330 4.281 5 20 IIBD Cc1cccnc1[C@H](NC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])C(C)C 796488533 YZHAHFXSJUGIFM-GOSISDBHSA-N 435.322 4.010 5 20 IIBD Cc1ccc([C@H](O)[C@H](C)NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cc1 804493218 NFWMZEGAHODBCS-HXPMCKFVSA-N 449.294 4.248 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)COCc1ccccn1 807969467 RTUYWPWETMZDTA-UHFFFAOYSA-N 441.465 4.050 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@H]1CCN(c2ccc(Br)cc2)C1 809910790 BUMLJOAIIKFTAC-LBPRGKRZSA-N 439.697 4.411 5 20 IIBD COc1ccc(C(C)=O)cc1OC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 811197730 MEKXOWVFFNZFHP-UHFFFAOYSA-N 426.347 4.232 5 20 IIBD CN(C)C1CCN(c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])nc2)CC1 813063024 KVLOCVACQLWCQF-UHFFFAOYSA-N 438.315 4.079 5 20 IIBD N=c1cc[nH]c(-c2noc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)n2)n1 813349693 RLRIMNRXJQBHSL-UHFFFAOYSA-N 449.477 4.275 5 20 IIBD CC[C@@H](c1cccc(OC)c1)N(C)C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O 813818110 KXMSRYYOVHHIIQ-INIZCTEOSA-N 444.875 4.371 5 20 IIBD CN([C@H]1CCO[C@@H](c2ccc(F)cc2)C1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] 815032591 JZYHHBDHERYGLM-SUMWQHHRSA-N 446.859 4.067 5 20 IIBD C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](C)c1ccc(N2CCCOC2=O)cc1 815634324 IKMPWSLPDIVZIP-HOTGVXAUSA-N 426.473 4.009 5 20 IIBD O=C(Nc1nc(-c2ccc3ccccc3n2)n[nH]1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 820139831 RWHYMFLDLMCJLB-UHFFFAOYSA-N 443.467 4.171 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc3nc(N4CCCC4)sc3c2)ccc1Cl 832242185 WSLOYQHJWGFIOK-UHFFFAOYSA-N 438.918 4.259 5 20 IIBD CCc1c(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cnn1-c1ccc(C)cc1 914639394 LSCMOIUYMQCWDA-UHFFFAOYSA-N 442.859 4.100 5 20 IIBD O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 915788435 HGZSYFCSARQBRS-UHFFFAOYSA-N 438.415 4.010 5 20 IIBD CCN(CC)Cc1csc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])n1 915836831 FXRPHBAVNMGCHX-UHFFFAOYSA-N 432.424 4.087 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 916428801 JIXXUDNEDXNEOX-AWEZNQCLSA-N 441.484 4.074 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccc(N4CCCC4)c(F)c3)cc2)c(C)c1[N+](=O)[O-] 917785450 AJHQIHDMTZRKIL-UHFFFAOYSA-N 437.475 4.448 5 20 IIBD COc1ccc(COC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c(Br)c1OC 917966241 FLFMQWPPWJNYCT-UHFFFAOYSA-N 435.230 4.213 5 20 IIBD CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2cc(F)ccc2F)NC(=O)N1CC1CC1 918074837 FCKHLLMMXGCCSO-HXUWFJFHSA-N 442.422 4.262 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1C(=O)c1ccccc1 918849251 CZHYQCDAPWQYPI-UHFFFAOYSA-N 429.388 4.233 5 20 IIBD CCOC(=O)c1cc(C(=O)O[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cc([N+](=O)[O-])c1 918959470 VOJORMBUQWHJEP-GFCCVEGCSA-N 443.387 4.187 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@@H](C)Oc1ccc(C(C)C)c(C)c1 919406372 BNBBPOZNRSVPMF-HZPDHXFCSA-N 444.484 4.373 5 20 IIBD O=[N+]([O-])c1cccc(-c2ncn(CN3CCC(c4nc5cc(Cl)ccc5o4)CC3)n2)c1 921051731 YCTFPSRMXCDRFH-UHFFFAOYSA-N 438.875 4.485 5 20 IIBD Cn1c(CCNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)nc2ccccc21 1318547032 IZDCCASMCJYELH-UHFFFAOYSA-N 429.480 4.066 5 20 IIBD Cc1ccc(Cn2ncc3c(C(=O)N4CCc5c4cccc5[N+](=O)[O-])cc(C)nc32)cc1 1319002762 XHERSSORESMLRM-UHFFFAOYSA-N 427.464 4.208 5 20 IIBD O=[N+]([O-])c1ccc(-n2ccc(-c3nnc(-c4ccc(F)cc4Br)o3)n2)cc1 1346613235 DVZNFUDZNALQSN-UHFFFAOYSA-N 430.193 4.399 5 20 IIBD COc1cccc(CC(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CCC2)c1 1785747711 HEQLBBAHHFZYSK-UHFFFAOYSA-N 449.463 4.187 5 20 IIBD Cc1nc(C(=O)NC2(c3ccc(NC(=O)CCc4cccc([N+](=O)[O-])c4)cc3)CCC2)co1 1786601674 KVUNHUKCTKIFTN-UHFFFAOYSA-N 448.479 4.272 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1[N+](=O)[O-])c1cccc2ccoc12 1804345683 RQHWLYKTYHYYNL-FCJRBGQTSA-N 445.475 4.306 5 20 IIBD CC1(C)CC(C(=O)N2CCC3(CCCN(C(=O)CCc4cccc([N+](=O)[O-])c4)C3)CC2)C1 1806494443 SGPVMLOZRSPSFO-UHFFFAOYSA-N 441.572 4.195 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2C2CC2)[nH]n1 1823500835 HKYLSGJDZCPCBA-HTQCGZCQSA-N 449.511 4.070 5 20 IIBD O=C(CCC1CCC1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1 1830487588 BLUFYSPLUUNKHW-HXUWFJFHSA-N 443.544 4.114 5 20 IIBD C/C=C(\C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1832904470 UDJQTURURYDOIQ-PGXHPTSJSA-N 425.529 4.194 5 20 IIBD O=C([C@@H]1CCC[C@H]2CCCC[C@@H]21)N1CC2(CCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])C1 1845405541 BPEDMBQKLHMGND-FGTMMUONSA-N 443.519 4.157 5 20 IIBD O=C(c1ccc(Oc2ccccc2)cc1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc([N+](=O)[O-])o1 1847171492 ZLRXGPFMNDIYTJ-PMACEKPBSA-N 447.447 4.109 5 20 IIBD O=C(COC(=O)Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(F)c(Cl)c1 11275679 MDWIKZYRUPAHNR-UHFFFAOYSA-N 438.842 4.129 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)COc1ccc(Cl)c2ccccc12 19486396 LMUSNXGTQYHARR-UHFFFAOYSA-N 428.828 4.271 5 20 IIBD Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1NC(=O)c1ccccc1 20630558 JHWKSUNMVOSOKI-UHFFFAOYSA-N 444.491 4.118 5 20 IIBD Cc1ccccc1-c1noc(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 24811334 CCVHIVCWOCMCBD-UHFFFAOYSA-N 447.417 4.294 5 20 IIBD Cc1sc(-c2ccco2)nc1C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 32456123 FOJYTATYWGHNEW-HNNXBMFYSA-N 443.481 4.433 5 20 IIBD CCOc1ccc(-c2nc(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)cs2)cc1OC 60378457 ZEQVTARUEDWEFG-UHFFFAOYSA-N 437.481 4.432 5 20 IIBD Cc1cc(C(=O)Nc2ccccc2NS(=O)(=O)c2ccc(F)cc2)ccc1[N+](=O)[O-] 60525478 ZINBMYCFCCYYJL-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD CSc1ccc(-c2csc(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)n2)cc1 60777530 IASZXKJMHWVVOM-UHFFFAOYSA-N 438.494 4.273 5 20 IIBD Cc1c(C(=O)N[C@H](C)C(c2ccccc2)c2ccccc2)nnn1-c1cccc([N+](=O)[O-])c1 105984994 NLYJOZWYPPVYEO-QGZVFWFLSA-N 441.491 4.434 5 20 IIBD CS(=O)(=O)c1cc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc([N+](=O)[O-])c1 109024477 UPBKUQOPUUXQHG-UHFFFAOYSA-N 443.915 4.089 5 20 IIBD CC1CCN(c2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2Cc2ccco2)CC1 217857291 XBXKGAULGJQWDJ-UHFFFAOYSA-N 441.513 4.039 5 20 IIBD C[C@H](c1nc(-c2ccccc2)no1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 301088119 PQCAYXDTWUEBDN-MRXNPFEDSA-N 430.468 4.076 5 20 IIBD CCc1nc([C@H](C)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])cs1 301243069 KKDMKCCBCWIUBB-AWEZNQCLSA-N 438.575 4.352 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N[C@@H]1CCO[C@H](c2ccccc2)C1 302149641 AVLYNSGSULBGEA-GCJKJVERSA-N 445.541 4.102 5 20 IIBD O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 303491055 PXZWVUOCZLXTRP-UHFFFAOYSA-N 442.686 4.153 5 20 IIBD C[C@@H](C(=O)Nc1c(F)cccc1Oc1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 410040162 WWRRVTLKVWDZAQ-ZDUSSCGKSA-N 449.394 4.149 5 20 IIBD CCCOc1cc(NC(=O)N(C)Cc2cn3c(n2)CCCC3)c([N+](=O)[O-])cc1OCCC 429495373 VQYJMKKWEAZCLQ-UHFFFAOYSA-N 445.520 4.369 5 20 IIBD O=C(O)CCN(Cc1cccc(F)c1F)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 431466684 VBXKHEFBCSSROC-UHFFFAOYSA-N 444.843 4.122 5 20 IIBD Cc1cc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 435694534 LTVOFSSJYBMCGB-LJQANCHMSA-N 444.495 4.280 5 20 IIBD O=C(NCc1cccc(N2CCCC2=O)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436114422 JSRZNOJKXPGTGB-UHFFFAOYSA-N 447.441 4.016 5 20 IIBD CC(C)N(Cc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1)C[C@H]1CCCCO1 436978371 ICYKPZMDDUHGSS-HXUWFJFHSA-N 427.501 4.332 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 437488546 DIPJTIROYOHQMR-IRXDYDNUSA-N 431.920 4.139 5 20 IIBD CCc1nnc(-c2ccc(NS(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])cc2)o1 438727467 RYLJMVVPACBWHA-UHFFFAOYSA-N 443.268 4.315 5 20 IIBD CC(C)(C)NC(=O)c1cccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 438792665 QJYNJFXDHYNTIU-UHFFFAOYSA-N 446.312 4.231 5 20 IIBD COc1cc(C(=O)Nc2nc(-c3cccc(O)c3)cs2)c([N+](=O)[O-])cc1OC(F)F 439518227 HRJMAWXYTOFHJE-UHFFFAOYSA-N 437.380 4.286 5 20 IIBD CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 443799165 HTMMRAPKBQUBJZ-UHFFFAOYSA-N 439.390 4.113 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 443973425 ZZCWOHWLNHCQQH-AWEZNQCLSA-N 431.880 4.143 5 20 IIBD Cc1cc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)ccc1-n1nnnc1C(C)C 444297794 UQPQMPVKAHARGX-UHFFFAOYSA-N 438.491 4.341 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC2(CC1)OCCc1ccsc12 444303606 MYCWTCZYWXGVAQ-UHFFFAOYSA-N 430.529 4.447 5 20 IIBD O=C(Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc2C1 444996514 JBQVYAUWRKYSKB-UHFFFAOYSA-N 448.401 4.027 5 20 IIBD O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1sc(Br)cc1[N+](=O)[O-] 445171273 GFMZRWWVELBQHZ-LBPRGKRZSA-N 427.276 4.229 5 20 IIBD O=C(C[C@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 446370093 JSGBZRZEMQZYLZ-MRXNPFEDSA-N 431.286 4.164 5 20 IIBD CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])C1 446424198 BHZQYBFWEUIVNE-PKOBYXMFSA-N 439.512 4.397 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-n3ccnc3)c(Cl)c2)c(C(F)(F)F)c1 446939412 NUQWKOFLCAWMFV-UHFFFAOYSA-N 446.794 4.254 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccco2)Cc2ccco2)c(C(F)(F)F)c1 446965323 GTBKOAZIPSPYPW-UHFFFAOYSA-N 430.360 4.191 5 20 IIBD C[C@H]1CN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC2(CCOCC2)O1 448359802 PHHRKZJPUKYKST-IBGZPJMESA-N 448.523 4.217 5 20 IIBD Cc1cnc([C@H](NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C2CC2)s1 460328810 QPGTUADQSHBGEY-MRXNPFEDSA-N 428.436 4.448 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-])c1ccccn1 461322210 BXSBQNDBIRRPCN-WQTXXOFMSA-N 436.512 4.337 5 20 IIBD C[C@H](c1ccsc1)N1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 463096669 HVQYJKOXRCUWPP-GOSISDBHSA-N 431.561 4.122 5 20 IIBD CC[C@]1(C)CCCN(C(=O)c2ccccc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C1 464585099 BAUMHJJHXZXHAO-JOCHJYFZSA-N 445.541 4.356 5 20 IIBD CCOc1cccc(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1OC(F)F 465009201 BUOSAWWUCMEKRT-UHFFFAOYSA-N 435.427 4.125 5 20 IIBD Cc1cccn2c(NC(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)c(-c3ccccc3)nc12 467100099 IMACFJLDIRHVON-UHFFFAOYSA-N 444.447 4.170 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(-n2cccn2)cc1C(F)(F)F 467397686 ZHNYALOUAZMUTO-UHFFFAOYSA-N 440.403 4.217 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@H](Nc2cccc(Br)c2)C1 468576465 KAKZNRZZQNJDJM-SFHVURJKSA-N 432.318 4.393 5 20 IIBD COc1cc(C(=O)NCc2cccc3cc[nH]c23)c([N+](=O)[O-])cc1OCc1cscn1 469531385 QCMKPKJBNXQMJK-UHFFFAOYSA-N 438.465 4.050 5 20 IIBD Cc1c(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cccc1NC(=O)N(C)C 471324878 XDUZYHNLMQUNIN-UHFFFAOYSA-N 439.516 4.485 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1ccc([N+](=O)[O-])c2cccnc12 471456232 YOAICLZQHMKPLO-XJKSGUPXSA-N 430.233 4.331 5 20 IIBD COc1cc(C(=O)N[C@@H]2CCC[C@@]2(C)CO)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 474142254 NVVHPUWFIIQYMJ-CTNGQTDRSA-N 434.876 4.330 5 20 IIBD Cc1nn(CCC(=O)N[C@H](Cc2cccc(Br)c2)CC2CC2)c(C)c1[N+](=O)[O-] 475854134 WPSWTXJGJOOUCB-SFHVURJKSA-N 449.349 4.088 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1noc(-c2ccccc2F)n1 477138925 PLPVVLNCKFGACC-UHFFFAOYSA-N 430.461 4.462 5 20 IIBD Cc1c(CNC(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cccc1[N+](=O)[O-] 480067092 FPBAOUVCBINVSG-KRWDZBQOSA-N 439.447 4.182 5 20 IIBD C[C@H](NC(=O)NCCCOC1CCN(Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 483707546 ALKVSVWXXCTUJW-IBGZPJMESA-N 440.544 4.026 5 20 IIBD COc1ccc(Br)cc1CN(C)C(=O)c1cccc(SC)c1[N+](=O)[O-] 485504626 UBSORUFJQBOZKO-UHFFFAOYSA-N 425.304 4.360 5 20 IIBD O=C(C[C@@H]1C=CCC1)Nc1ccccc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 487386954 IOFHEBVBHNJWGY-MRXNPFEDSA-N 431.452 4.328 5 20 IIBD C[C@@H](NC(=O)[C@@](N)(c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 488010096 AKJLFHIOCHZJRT-HWPZZCPQSA-N 435.324 4.207 5 20 IIBD Cc1ccc([C@H](C)NC(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)cc1[N+](=O)[O-] 488042200 NWXFICOTNYTXAA-AWEZNQCLSA-N 445.522 4.257 5 20 IIBD CSc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] 488218796 MTSQQOZHFMXHMD-KRWDZBQOSA-N 431.539 4.087 5 20 IIBD CCOC1(C)CCN(c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])CC1 488436336 UMTXPBMVQXLSNM-UHFFFAOYSA-N 447.557 4.408 5 20 IIBD O=C(Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 489422092 JNSXPAXCFHNCLW-UHFFFAOYSA-N 442.357 4.237 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(C(=O)C3CCC3)cc2)ccc1[N+](=O)[O-] 489697581 BPKAJWYZGHPFNP-NRFANRHFSA-N 435.480 4.129 5 20 IIBD CCc1nnc(-c2cccc(NCc3cc(OC)c(OCC(F)F)cc3[N+](=O)[O-])c2)o1 491058153 XEVMJVUBGPAIEU-UHFFFAOYSA-N 434.399 4.472 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC1CCCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 494238567 RQROAUIUWGJWMM-UHFFFAOYSA-N 427.848 4.403 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 494531012 QHUYKYBNGGHBOC-CYBMUJFWSA-N 429.860 4.326 5 20 IIBD CCC1(CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CCN(Cc2ccccc2)CC1 497548746 FHEWIVHTRGYSSA-UHFFFAOYSA-N 431.558 4.103 5 20 IIBD Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C2)cc1 498275808 JYAGLTAIEUDYJN-KRWDZBQOSA-N 447.495 4.125 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2cc(Cl)ccn2)c([N+](=O)[O-])c1 498887434 GXKBGYXXUOPWST-UHFFFAOYSA-N 446.916 4.471 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N(C)CCc2ccncc2)cc1[N+](=O)[O-] 499956667 NWKWYAIOEAYYCF-UHFFFAOYSA-N 435.505 4.257 5 20 IIBD COc1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c(Cl)c1OC 500454981 GFUQYDSZEOFWJF-UHFFFAOYSA-N 432.782 4.257 5 20 IIBD Cc1ccc(-c2nc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)sc2C)s1 504865551 QMMOQRDNYMKRDB-UHFFFAOYSA-N 430.511 4.155 5 20 IIBD Cc1noc(C)c1CN1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 509404167 RFEWGFHZKUIINX-UHFFFAOYSA-N 440.475 4.449 5 20 IIBD Cn1cc(CNC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cn1 509753295 XKWFVNLNWVEIMH-UHFFFAOYSA-N 436.415 4.428 5 20 IIBD COc1ccc(C2(CNC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)CCOCC2)cc1 509780797 BUOMQFPHVTWBQE-UHFFFAOYSA-N 441.528 4.272 5 20 IIBD CCSCC[C@H](C)N(C)C(=O)c1cc([N+](=O)[O-])cc(I)c1C 510057824 SYGOBHNTXNRCNA-JTQLQIEISA-N 436.315 4.112 5 20 IIBD Cc1ccccc1[C@@H]([C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)N(C)C 510544860 JPJQYLYKQYRTNX-VBKZILBWSA-N 434.334 4.016 5 20 IIBD CCN(C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)c1ccc(Br)cn1 510597488 CSGQSVMVCYBHIV-UHFFFAOYSA-N 443.095 4.490 5 20 IIBD CCOc1ccc(C(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] 512533418 DMEGBKPNFUXMNY-HOTGVXAUSA-N 425.485 4.364 5 20 IIBD CNS(=O)(=O)c1cccc(NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)c1C 512634474 SPPYJDZHVOMXEQ-UHFFFAOYSA-N 445.472 4.355 5 20 IIBD CCOC(=O)CN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H](C)c1ccccc1 513914488 GDBUTWKFZTYLKO-HNNXBMFYSA-N 439.493 4.485 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC[C@@H](c4nc(C)no4)C3)cc2[N+](=O)[O-])n1 515582882 LAFSDIUVRXDBPW-CQSZACIVSA-N 445.526 4.222 5 20 IIBD Cc1ccc(C(=O)N[C@@H](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c2ccccc2)cc1 517939088 CTFHWIDXXGTLAR-QFIPXVFZSA-N 429.476 4.354 5 20 IIBD CN1CCC[C@H](CNC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C1 518140876 GCERDWRETMSWTE-CQSZACIVSA-N 442.566 4.427 5 20 IIBD COc1ccc(CNc2cnn(Cc3ccncc3)c2)cc1OCc1ccc([N+](=O)[O-])cc1 518278983 PPCZUBFLLXYWKG-UHFFFAOYSA-N 445.479 4.434 5 20 IIBD CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 518623994 ZYBUNIPTLFOAJK-AWEZNQCLSA-N 446.525 4.330 5 20 IIBD CC[C@H](C)N(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(C(N)=O)cc1 520163786 ZRFRQGVSKLODHZ-KRWDZBQOSA-N 427.504 4.085 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2c(C)cnn2[C@@H]2CCCc3ccccc32)cc([N+](=O)[O-])c1 520566689 CWRNKBLHZNSYGT-OAQYLSRUSA-N 448.479 4.454 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCCn3cnc4ccccc43)cc2[N+](=O)[O-])n1 521185427 ZROXFFBDEJDNSK-UHFFFAOYSA-N 439.522 4.291 5 20 IIBD Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 523089912 NUUMUKMMIFDJBM-XQFWAAQXSA-N 435.524 4.221 5 20 IIBD O=C(Nc1ccnn1[C@@H]1CCCc2ccccc21)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 523706222 ZHDOUWRYNVKFPG-OAQYLSRUSA-N 428.452 4.155 5 20 IIBD COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)Cc1cccc([N+](=O)[O-])c1)CC2 525109108 OGAQQSCPZGMUMX-RUZDIDTESA-N 432.476 4.329 5 20 IIBD C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)S1 525204823 OUFSLOIGGHHINV-BETUJISGSA-N 433.917 4.467 5 20 IIBD CNc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2OCc2ccccc2)cc1[N+](=O)[O-] 532183625 QRJILZZYMFIPEG-UHFFFAOYSA-N 435.436 4.254 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCN(c2ccccc2O)CC1 532695917 DASFKWUXEKIXFO-UHFFFAOYSA-N 435.505 4.414 5 20 IIBD C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1cc(I)cc([N+](=O)[O-])c1 534287855 IKSNXHJVCPFTRX-VIFPVBQESA-N 446.191 4.311 5 20 IIBD CCOc1ccc(Oc2ccc(NC(=O)C(=O)NCCc3cccc([N+](=O)[O-])c3)cc2)cc1 535410387 WUOTUZQYIHVLOB-UHFFFAOYSA-N 449.463 4.083 5 20 IIBD C[C@H]1CN(Cc2ccccc2NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 537736706 YUFYQRKAJMJDDJ-HDICACEKSA-N 435.528 4.217 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCC(N(C)C)CC2)cn1 538256879 DGOCHIBYGFWVAV-UHFFFAOYSA-N 443.573 4.273 5 20 IIBD Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)n([C@@H]2C[C@H]3CC[C@H]2C3)n1 539234273 SMJLMAMPWQNELV-SLEUVZQESA-N 444.435 4.280 5 20 IIBD C[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1OCc1ccccc1 539335585 HXXJMAUBVWKKOY-MRXNPFEDSA-N 449.463 4.192 5 20 IIBD COc1ccccc1COC1CCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC1 539464853 BVNFLKIVBVHFNU-UHFFFAOYSA-N 447.491 4.487 5 20 IIBD COc1ccc([C@@H](C)NCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Br 540371122 YDHQVPFUDBQWHZ-CYBMUJFWSA-N 436.306 4.354 5 20 IIBD O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cccc([N+](=O)[O-])c1N1CCOCC1 540663668 DBKDRDKTBNFICL-UHFFFAOYSA-N 439.468 4.115 5 20 IIBD CN(C)C(=O)c1ccc(Cl)c(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1 541295939 OPCUKRCDMZYGBI-UHFFFAOYSA-N 428.297 4.334 5 20 IIBD COc1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1Oc1ccc(C)nn1 542523439 VVMFKJIMTHCQEA-CYBMUJFWSA-N 426.404 4.375 5 20 IIBD C[C@H](NC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)[C@@H]1CCOC1 543081272 RWAVVXVGSQLNTN-GXTWGEPZSA-N 437.855 4.404 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 543207184 ALSSLYYJUJXYBU-MRXNPFEDSA-N 445.566 4.493 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CCO)c1ccccc1Br 543834634 DNKJPJBQMPPLRA-SJCJKPOMSA-N 439.331 4.078 5 20 IIBD COc1ccc(NC(=O)C(=O)NCc2ccccc2-c2ccc(Cl)cc2)cc1[N+](=O)[O-] 543920655 GDLGHXPUEWGAQL-UHFFFAOYSA-N 439.855 4.179 5 20 IIBD CCN(Cc1ccccc1Br)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 545256667 DVVGQEHBHKMBFE-UHFFFAOYSA-N 443.301 4.420 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc([C@@H]2CC(=O)N(c3ccccc3)C2)no1 546418246 NVZPOXYASPSRPB-QWHCGFSZSA-N 428.832 4.292 5 20 IIBD CC(C)Cn1nc(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)c2ccccc2c1=O 547267224 JCGSQLGCMRMIQL-UHFFFAOYSA-N 444.451 4.083 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC(n2c(O)nc3ccccc32)CC1 549121459 ZWKXTTWSGNAGBB-UHFFFAOYSA-N 434.374 4.146 5 20 IIBD O=C(Nc1nnc(Cc2cccc(F)c2)s1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 550413125 ZCQWJYCMLIXOMT-UHFFFAOYSA-N 426.351 4.447 5 20 IIBD O=C(Nc1cc(F)c(F)cc1N1CCOCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 553287801 LMYRPPUNZLQQMJ-UHFFFAOYSA-N 446.435 4.085 5 20 IIBD O=C(Nc1nc2c(Br)cccc2s1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 553407170 ANMQTUPUVLPGJH-UHFFFAOYSA-N 444.270 4.405 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCCCc3cccc(Cl)c3)cc2)c(C)c1[N+](=O)[O-] 553793976 QAUMXIOXQSYBKS-UHFFFAOYSA-N 426.904 4.472 5 20 IIBD COc1ccccc1O[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C1 557146496 RRHVMJHVUIBJLW-HNNXBMFYSA-N 449.301 4.358 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)n(C(C)(C)C)n1 558694086 LHKICXAKPZAABK-UHFFFAOYSA-N 442.257 4.020 5 20 IIBD Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)nn1C1CCCCC1 563923839 NBNHISVPZSWYTC-UHFFFAOYSA-N 443.323 4.168 5 20 IIBD C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 566966318 PCNORPDIRDCLJF-PEBXRYMYSA-N 446.419 4.208 5 20 IIBD CC(C)[C@H](NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)C1(CO)CCC1 568918515 FVKHZISLJJNXNF-IERDGZPVSA-N 426.517 4.080 5 20 IIBD CC[C@H](C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)c1cccc(C(F)(F)F)c1 570998341 BEWGOMJAKUIVKW-KRWDZBQOSA-N 449.429 4.092 5 20 IIBD CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 580049645 HUPAQTFUDRYJJH-KRWDZBQOSA-N 439.520 4.001 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1cccc(Sc2ccccc2)c1 588692848 YQQGCCFLFMMWPS-UHFFFAOYSA-N 435.505 4.386 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1nc2ccc(C)cc2s1 597683712 GRIJDCIJTWYSCL-INIZCTEOSA-N 444.538 4.003 5 20 IIBD CCOc1cc(NC(=O)NC[C@@H](c2cccs2)N2CCCC2)c([N+](=O)[O-])cc1OCC 603651660 YFZUWMIZIUJVMX-KRWDZBQOSA-N 448.545 4.412 5 20 IIBD Cc1cc(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])n(-c2ccc(C(F)(F)F)cn2)n1 603657261 ASERIGXCWZZTFT-UHFFFAOYSA-N 434.378 4.167 5 20 IIBD CCOc1cccc(C(=O)N(CCOC)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 603946596 MTQCJCHPNCBFBQ-UHFFFAOYSA-N 427.482 4.410 5 20 IIBD COc1cccc(CC(=O)N2CCc3ccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc32)c1 608945082 SNDNJPDHRXAKNY-UHFFFAOYSA-N 445.475 4.296 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCN(c4ccc(O)cc4)CC3)c([N+](=O)[O-])c2)cc1 608971815 SPSQSYODYKVUAH-UHFFFAOYSA-N 432.480 4.188 5 20 IIBD COCCN(C(=O)[C@@H]1CCOc2ccccc21)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 609102606 YRURKZWSZAMULF-GOSISDBHSA-N 439.493 4.264 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)cc1SC 609129259 JWERYOCOOXLTDU-ZDUSSCGKSA-N 435.933 4.235 5 20 IIBD COC(=O)c1cc(NC(=O)c2sc(-c3ccc(OC)cc3)nc2C)cc([N+](=O)[O-])c1 609884359 TUTXJDUHKOCKJA-UHFFFAOYSA-N 427.438 4.074 5 20 IIBD COc1ccc([C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2Br)C(C)C)cc1 609961761 DLTPQFAFHAVBLL-IBGZPJMESA-N 437.290 4.258 5 20 IIBD CCCCOc1ccc(NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(C)c1 610141462 WYCAEPYQBPFRCE-UHFFFAOYSA-N 440.500 4.072 5 20 IIBD O=C(NC1CCN(Cc2ccncc2)CC1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611201242 XJSWUVOLJNVGEO-UHFFFAOYSA-N 440.569 4.419 5 20 IIBD COC1(C)CCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 611407374 ANTROGLWACXQQJ-UHFFFAOYSA-N 434.496 4.018 5 20 IIBD COc1ccc(C(NCCC(=O)Nc2ccccc2[N+](=O)[O-])c2ccc(OC)cc2)cc1 619705900 ZQGOCLAJZKLQAP-UHFFFAOYSA-N 435.480 4.320 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Oc1ccc(Br)cc1Cl 725816780 VYOSOCCCTDIJGT-UHFFFAOYSA-N 427.059 4.432 5 20 IIBD O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 726541288 ZESDPKKBGUTHHF-CYBMUJFWSA-N 430.823 4.457 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCCc2ccc(Br)cc2F)cc1SC 730972064 FDZCAJUQXJNUIC-UHFFFAOYSA-N 443.294 4.199 5 20 IIBD O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1OCc1ccccc1 731504079 LGTHYGDGERMHRG-JOCHJYFZSA-N 432.432 4.136 5 20 IIBD O=C(Cc1coc2ccc3ccccc3c12)O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 731504161 JJDXCUGNCFKUMO-OAQYLSRUSA-N 430.416 4.385 5 20 IIBD Cc1cccn2cc(-c3ccc(NC(=O)COc4ccc(C=O)cc4[N+](=O)[O-])cc3)nc12 731610862 YDQMPGFQTOIPGR-UHFFFAOYSA-N 430.420 4.048 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 731615327 PCHBABJGDOYRHU-UHFFFAOYSA-N 445.428 4.004 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 735267990 SMTQVIWSJLEYAE-UHFFFAOYSA-N 445.409 4.105 5 20 IIBD O=C(Cc1ccc(F)c(Br)c1)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 735442128 BICYOYBBHGLYLU-UHFFFAOYSA-N 435.205 4.437 5 20 IIBD CC[C@H](NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])c1ccc(F)cc1F 738401278 LYWGBLXGPYCNIF-ZDUSSCGKSA-N 435.246 4.065 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccc([N+](=O)[O-])cc1Br 739578981 RXHAHSURWHKTAW-SNVBAGLBSA-N 441.259 4.490 5 20 IIBD Cc1cc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)on1 741820650 QJUCSOARQYTRQG-CYBMUJFWSA-N 427.438 4.226 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCCCc1ccc(Br)cc1F 742407924 DZUNPKRCGISHLG-UHFFFAOYSA-N 438.253 4.498 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3ccc(C(F)(F)F)cn3)CC2)ccc1[N+](=O)[O-] 744204948 VELFJHROHJVOMZ-UHFFFAOYSA-N 439.390 4.233 5 20 IIBD O=C(CCC[S@](=O)c1ccc(Br)cc1)OCc1c(F)cccc1[N+](=O)[O-] 745055624 ULAWDFNDOYRPQL-SANMLTNESA-N 444.278 4.128 5 20 IIBD O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1cc(Oc2ccccc2)ccn1 745950443 RXFJJMIEPUITJG-UHFFFAOYSA-N 434.452 4.251 5 20 IIBD C[C@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(NC(=O)c2ccccc2)cc1 748015872 XIJHCAHAMOQCPA-AWEZNQCLSA-N 434.404 4.494 5 20 IIBD CC(C)n1c([C@H]2CCCN2C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)nc2ccccc21 748377511 XQOUBJVWHKTTFW-HXUWFJFHSA-N 432.484 4.239 5 20 IIBD C[C@H](OC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccccc1-c1ccccc1 748490029 SRNDVDYVCOOZMJ-KRWDZBQOSA-N 433.464 4.365 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCC[C@@H]1CCCCN1C(=O)c1cccn1C 750645060 KKXZXUCTLLDRHV-SJORKVTESA-N 445.541 4.042 5 20 IIBD O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1cc([N+](=O)[O-])ccc1Br 751076126 QLTCRPCVYOILGG-UHFFFAOYSA-N 438.665 4.390 5 20 IIBD Cc1ccc(F)cc1NC(=O)[C@H](C)OC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 753433065 OZQWASSFNLWFRJ-NSHDSACASA-N 439.237 4.297 5 20 IIBD Cc1csc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1Br 753654029 MUXFUJDSTVSUNH-UHFFFAOYSA-N 433.667 4.176 5 20 IIBD Cc1ccc(-n2cnc3c2CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C3)cc1 753785792 MYYMBGMTBXKNPE-HNNXBMFYSA-N 439.903 4.128 5 20 IIBD O=C(Nc1c(F)cccc1N1CCCC1)c1cc(F)cc([N+](=O)[O-])c1Br 754968384 NSTRBFURZMLNFN-UHFFFAOYSA-N 426.217 4.488 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)O[C@H](C)C(=O)NC(c1ccccc1)c1ccccc1 755681165 TXSSYPGHSSEMEX-MRXNPFEDSA-N 434.448 4.055 5 20 IIBD CC(C)(C)OC(=O)Nc1ccccc1CC(=O)O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 756570348 BTJKSEAQRFBYEM-ROUUACIJSA-N 444.488 4.408 5 20 IIBD C[C@H](OC(=O)CCc1cn(C)c2ccccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 756665092 IGHZYQJIMQIGCL-ZDUSSCGKSA-N 429.860 4.243 5 20 IIBD Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 756727060 OPWSTUWINYWHKT-KGLIPLIRSA-N 448.520 4.195 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 757272293 PETBRJZKHBNLOO-UHFFFAOYSA-N 436.173 4.175 5 20 IIBD Cc1ccc(-c2nnc([C@H](C)OC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)o2)cc1C 758933640 SSMVRYXQYFTTOH-ZDUSSCGKSA-N 426.385 4.396 5 20 IIBD O=C(OCc1ccc(OCC(F)(F)F)nc1)c1cccc([N+](=O)[O-])c1Br 759199858 GHADHOBYHLMBRU-UHFFFAOYSA-N 435.152 4.050 5 20 IIBD O=C(O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 759940296 DSSJHFGLWPVMHA-HZPDHXFCSA-N 443.441 4.164 5 20 IIBD O=C(O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1csc(Cc2ccccc2F)n1 759956945 ZEWOTOZCSZEJCQ-IAGOWNOFSA-N 430.461 4.318 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@H](c2nc(Cc3ccc(OC(F)(F)F)cc3)no2)C1 761563911 SZWYXAQLKODLOM-INIZCTEOSA-N 434.330 4.333 5 20 IIBD C[C@@H](NC(=O)COC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 763410896 ZHEKZXAOGDHOPZ-VXGBXAGGSA-N 425.268 4.426 5 20 IIBD COC(=O)c1cccc(-c2nc(COC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)cs2)c1 763423558 KYOHSHQCAFLQTC-CYBMUJFWSA-N 426.450 4.352 5 20 IIBD O=C(Nc1nccc2sccc12)c1ccc(I)c([N+](=O)[O-])c1 763578297 MCEUVTFTRIPKKQ-UHFFFAOYSA-N 425.207 4.061 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1CC(=O)OCc1cc([N+](=O)[O-])ccc1OC(C)C 763835574 ZIPZDTMBEFMVJW-UHFFFAOYSA-N 429.395 4.044 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(Br)cc1F 764216860 MDFVTETVIREWMF-UHFFFAOYSA-N 443.294 4.165 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCCO[C@H](c3ccccc3)C2)c1=S 764974516 CSXSJQLYUVCBMV-FQEVSTJZSA-N 439.541 4.430 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N2CCC(OCc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] 768577788 STPVOCXNIYKVMU-UHFFFAOYSA-N 442.896 4.066 5 20 IIBD CC(=O)[C@@H](Cc1c(F)cccc1F)OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 768648713 LZKBGFCFNXQDGJ-GOSISDBHSA-N 432.404 4.354 5 20 IIBD COc1ccc(C(=O)O[C@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])nc1Cl 774366692 CYIFAJZBXKITOF-CQSZACIVSA-N 443.681 4.460 5 20 IIBD CC(C)([C@H](OC(=O)c1ccc(OC(F)F)cn1)c1ccc(Br)cc1)[N+](=O)[O-] 774374210 FMEABCABYRHNFW-CQSZACIVSA-N 445.216 4.399 5 20 IIBD CC(C)COC(=O)N1CCC(C(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])CC1 776134305 ARCOJSJONASCNK-NRFANRHFSA-N 441.484 4.127 5 20 IIBD CSc1cccc(C(=O)O[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)c1[N+](=O)[O-] 777075628 XFRUOJHYEQOQPB-OAHLLOKOSA-N 443.525 4.491 5 20 IIBD COc1ccccc1NC(=O)C1=C(C)N(CC2CC2)C(=O)N[C@H]1c1ccc([N+](=O)[O-])s1 782248886 ZEYGOBAMGWDCPB-IBGZPJMESA-N 442.497 4.054 5 20 IIBD O=C(NCC1CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1)OCc1ccccc1 782957233 YCMSJPYUZACWNF-UHFFFAOYSA-N 449.511 4.054 5 20 IIBD C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 783315533 IKMKQBNRKFACDJ-SNVBAGLBSA-N 429.782 4.425 5 20 IIBD CC1(NC(=O)OC(C)(C)C)CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 783719551 KDQYVOLGJUGHLA-UHFFFAOYSA-N 428.327 4.237 5 20 IIBD C[C@@H]1[C@H](C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)CCN1C(=O)OC(C)(C)C 786637818 LOROCWZLYRRSET-ZIAGYGMSSA-N 446.529 4.327 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)C1=Cc2cc(Br)ccc2OC1 795626041 FSHBKGSGIZYQAF-UHFFFAOYSA-N 439.287 4.149 5 20 IIBD Cc1nn(C(C)C)c(C)c1CC(=O)OCCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 796777128 YSWRVSHWMSDQCF-UHFFFAOYSA-N 429.395 4.173 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1OC 798114485 OMFRPIACQHEBOW-UHFFFAOYSA-N 443.500 4.117 5 20 IIBD COc1c([N+](=O)[O-])cc(NCC[C@H]2C[C@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1Br 801674932 ZHFASAUDTNOCPP-JGPRNRPPSA-N 432.271 4.280 5 20 IIBD C[C@H](Nc1ccc(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-])c1ccccn1 803410018 UUUPPWRBNBLJHG-INIZCTEOSA-N 449.467 4.386 5 20 IIBD Cc1ccc([C@H](O)[C@H](C)NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 804473409 OGRBDEAJKYGJSL-SAHWJRBASA-N 434.496 4.323 5 20 IIBD CC(C)(C)OC(=O)N1CCC(c2csc(NC(=O)Cc3ccccc3[N+](=O)[O-])n2)CC1 807886110 WOKDWXFMMXOXGV-UHFFFAOYSA-N 446.529 4.347 5 20 IIBD O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN(CCO)Cc1cnn(Cc2ccccc2)c1 809949464 NSIXZSYDLCQXBU-UHFFFAOYSA-N 435.311 4.141 5 20 IIBD O=C(COC(=O)c1c(F)cc(C(F)(F)F)cc1F)Nc1ccc(Cl)cc1[N+](=O)[O-] 811417395 ACEMEEABROCRJF-UHFFFAOYSA-N 438.692 4.341 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 816328211 DRZXAWPJXZXKQD-LBPRGKRZSA-N 431.411 4.133 5 20 IIBD CC(C)NC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 881020465 MGWBITCOHQDOGD-UHFFFAOYSA-N 425.489 4.367 5 20 IIBD C[C@H](OC(=O)c1cccc(OCc2cccs2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 915464361 VTQSWQHXWMANFA-AWEZNQCLSA-N 426.450 4.419 5 20 IIBD Nn1c(SCCOc2cccc([N+](=O)[O-])c2)nnc1-c1cc(Cl)ccc1Cl 915792223 ZUWRLQRULJRYGT-UHFFFAOYSA-N 426.285 4.045 5 20 IIBD CCNC(=O)COc1cccc(CNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])c1 917090571 YSBWVELKACXIPX-UHFFFAOYSA-N 431.798 4.394 5 20 IIBD C[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1cc2c(cc1Br)OCCO2 917788340 YUWOYNXMACNHPF-NTYUQYKDSA-N 433.258 4.019 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c(C)c1 919196288 WOVGRTFHKQANNW-CYBMUJFWSA-N 440.374 4.337 5 20 IIBD C[C@@H](OC(=O)c1ccc(Cl)c(Cl)c1N)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 919400197 MDKOLDCRZFMNEQ-SSDOTTSWSA-N 432.647 4.321 5 20 IIBD COc1ccc(NC(=O)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)c([N+](=O)[O-])c1 1123426924 GMZBLXHAEZKHNJ-UHFFFAOYSA-N 427.436 4.229 5 20 IIBD O=C(Nc1n[nH]c(-c2cccc(Cl)c2)n1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 1336917397 SGNRASIIEDAWPH-UHFFFAOYSA-N 441.753 4.227 5 20 IIBD CCc1ccnc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])o4)CCC3)cc2)c1 1788375999 ZBXXXUYJISJSFE-UHFFFAOYSA-N 434.452 4.207 5 20 IIBD C[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc([N+](=O)[O-])o1)c1ccccc1 1793276363 SJIPEBZHZWZDCP-FNXPFCEOSA-N 437.496 4.033 5 20 IIBD Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccsc2)cc(Cl)cc1[N+](=O)[O-] 1794988824 OXUNUICGODDNBF-MUJYYYPQSA-N 433.917 4.184 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1Cl 1799535236 UDWOJYFGCIHSKZ-BCDXTJNWSA-N 441.915 4.133 5 20 IIBD Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@]3(C)C[C@H]3C)CC2)cc1[N+](=O)[O-] 1830222706 OSAYBCBDXWMYCN-QLWBXOBMSA-N 441.572 4.112 5 20 IIBD CC(C)=CCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCCc1cc(C)c(F)cc1[N+](=O)[O-] 1847716859 WONATSIVVFUPJU-SFTDATJTSA-N 445.535 4.313 5 20 IIBD CSc1ccc(C(=O)COC(=O)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 9332751 YJARYCSWWZOEHH-UHFFFAOYSA-N 428.388 4.174 5 20 IIBD COc1cccc(Nc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)s2)c1 10267336 IPKJKORGHLTEPJ-UHFFFAOYSA-N 431.499 4.238 5 20 IIBD O=C(O)CCc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Nc2ccccc2)cc1 13079123 ZBTTXZFLBQYTCO-UHFFFAOYSA-N 441.465 4.156 5 20 IIBD COc1ccc(C(=O)C2CCN([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 14325361 RLRRFYPZLZMFTR-CQSZACIVSA-N 445.903 4.179 5 20 IIBD C[C@H](OC(=O)COc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1C(F)(F)F 15647059 MFJFUDHKIKSGDN-JTQLQIEISA-N 446.765 4.216 5 20 IIBD C[C@@H](Sc1nnc(NCc2ccc(F)cc2)s1)C(=O)Nc1ccccc1[N+](=O)[O-] 16335586 DZVUEJWLHARXIG-LLVKDONJSA-N 433.490 4.317 5 20 IIBD CCOC(=O)c1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2C(C)C)cc([N+](=O)[O-])c1 17008448 OFHWGDGQOUVNPW-CQSZACIVSA-N 428.441 4.079 5 20 IIBD COc1ccc(C[C@H](NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c2ccc(OC)cc2)cc1 18109957 NEYDBXBAJUSLCB-NRFANRHFSA-N 436.464 4.334 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 18519539 DMPLZALMTVERIL-SECBINFHSA-N 446.765 4.460 5 20 IIBD COc1ccc(-c2csc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)n2)cc1F 18706766 BPIMZFPSDGRYIU-UHFFFAOYSA-N 439.428 4.304 5 20 IIBD COc1cc([C@@H](C)NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)ccc1OCC(C)C 32243605 HFXGBECXJJAHPY-MRXNPFEDSA-N 438.484 4.315 5 20 IIBD CC(=O)c1sc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)nc1-c1ccccc1 33151803 AAWBRCLLOKARQP-UHFFFAOYSA-N 433.449 4.359 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 60555647 VFXOIVZWEXDASX-INIZCTEOSA-N 426.454 4.048 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CNc3cc(Cl)ccc3OC[C@H]3CCCO3)n2)cc1 63470520 ZCDNUAIYPDJLHX-MRXNPFEDSA-N 430.848 4.468 5 20 IIBD O=C(Nc1ccc(Cl)cn1)c1ccccc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 72046939 LDLMXXQGWLVWFX-UHFFFAOYSA-N 436.815 4.024 5 20 IIBD COc1ccc(CSCC(=O)NCC2(c3ccccc3OC)CCCC2)cc1[N+](=O)[O-] 108871501 KMAKHQGKMZUJIT-UHFFFAOYSA-N 444.553 4.473 5 20 IIBD COc1cc(CN[C@@H](C)C(=O)N2CCCC[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 237140876 ZVDWZEKRNUAWKG-ROUUACIJSA-N 441.528 4.062 5 20 IIBD COc1cc(OC)c(CCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c(OC)c1 237326404 YUUVRTPSMUBIEQ-UHFFFAOYSA-N 429.498 4.076 5 20 IIBD Cc1ccc([C@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)N2CCOCC2)cc1 237657421 JPJYNFIAAZZYBP-QFIPXVFZSA-N 438.553 4.190 5 20 IIBD O=[N+]([O-])c1cc(I)ccc1N1CCC([C@H](O)c2ccccc2)CC1 301079415 GCVJBFMMKUMUKZ-GOSISDBHSA-N 438.265 4.149 5 20 IIBD CCc1cc(NCc2ccc(-n3nc(C)cc3C)nc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 301083389 KVZIDZOMGKDBMF-UHFFFAOYSA-N 429.484 4.424 5 20 IIBD CN(C(=O)CN1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1)c1ccc([N+](=O)[O-])cc1 303341315 WEHGXBNNMDWMOQ-SFHVURJKSA-N 442.274 4.077 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N(C)CC2(O)CCCCCC2)cc1[N+](=O)[O-])c1ccccn1 428617751 JFXUXBAGHPYQOE-QGZVFWFLSA-N 426.517 4.320 5 20 IIBD C[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](c2cccc(C(F)(F)F)c2)O1 428925721 HJOMBDNITCILMR-IFXJQAMLSA-N 437.418 4.404 5 20 IIBD CC(C)(C(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1)c1ccccc1[N+](=O)[O-] 431827780 IVQMVVKJYFOZIK-UHFFFAOYSA-N 438.528 4.326 5 20 IIBD COc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])s2)cc1 433740280 ANPJIKFEBUVGAB-NSHDSACASA-N 429.502 4.373 5 20 IIBD CCn1nccc1C1CCN(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 434005756 IZLZCAXELZRZPF-QGZVFWFLSA-N 425.533 4.067 5 20 IIBD O=C(c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)N1CCC(CO)CC1 434629125 VUDXJXGLYJDGFO-UHFFFAOYSA-N 429.523 4.200 5 20 IIBD Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n([C@H]2CCN(Cc3ccccc3)C2)n1 435302922 SITONFLRWPGWPW-SFHVURJKSA-N 439.903 4.452 5 20 IIBD O=C(NCCOC1CCCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435471754 CNQRZGAEJISPBA-UHFFFAOYSA-N 449.554 4.212 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 435663817 OZDDRHADSYHHQV-JTQLQIEISA-N 430.408 4.490 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 436767035 BCVTZCANIAIJQD-ZDUSSCGKSA-N 428.832 4.024 5 20 IIBD CCOc1cc(NC(=O)N2CC[C@@H](COCc3ccccc3)C2)c([N+](=O)[O-])cc1OCC 437624226 MRDNAKPQOOMAOZ-GOSISDBHSA-N 443.500 4.463 5 20 IIBD CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H]2CCCC[C@@H]21 439988336 MVMNJZQWEKJDBO-ZAAOTPHGSA-N 444.576 4.026 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Cc1coc(-c2cccs2)n1 443207374 ZCFYNCSVQKIBAQ-UHFFFAOYSA-N 429.273 4.048 5 20 IIBD Cc1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)ccc1C(F)(F)F 443929207 RUINSQULHJKGNX-CYBMUJFWSA-N 427.404 4.227 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@H](c3nccn3C)C2)cc1 444663886 PTQMVUAUIYWJBE-INIZCTEOSA-N 436.468 4.149 5 20 IIBD Cc1c(Br)cc(-c2nc(-c3ccc(-c4nnco4)cc3)no2)cc1[N+](=O)[O-] 445402483 KXKZTOYBVHOPCV-UHFFFAOYSA-N 428.202 4.433 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(CCc3nc4cc(C(F)(F)F)ccc4s3)n2)n1C 445617129 WZHKKLMNFBCOPQ-UHFFFAOYSA-N 438.391 4.100 5 20 IIBD Cc1cc(C[C@@H](C)NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])n(-c2ccccc2)n1 448180630 NACZCFMZMPHKSM-OAHLLOKOSA-N 442.903 4.259 5 20 IIBD Cc1oc(-c2ccccc2)nc1CN1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 460348204 OVJJZAJBDFTDRU-UHFFFAOYSA-N 432.484 4.147 5 20 IIBD CCS[C@@H]1CC[C@@H](N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCOC2)C1 461536483 MWXPHEQQAGVHLB-SZVBFZGTSA-N 431.562 4.000 5 20 IIBD Cc1[nH]c2ccccc2c1CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 462167461 OGVPQHDBWPGDPV-UHFFFAOYSA-N 428.297 4.212 5 20 IIBD CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCc1ncc(-c2ccc(C)cc2)o1 463260141 RACOSSYAKSWGGY-UHFFFAOYSA-N 448.435 4.500 5 20 IIBD O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 463840125 ZMWZPGMTNVAADG-UHFFFAOYSA-N 428.779 4.460 5 20 IIBD C[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)Oc1ccc(Br)cc1 464628183 NKLGMKCQTBDKBS-LBPRGKRZSA-N 425.304 4.033 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N(CCc1ccccc1)Cc1ccccc1 465030313 FJVCAXFGDBPWDA-UHFFFAOYSA-N 432.476 4.180 5 20 IIBD Cc1c(I)cccc1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl 466290986 UZWKGQNMHHZUPH-UHFFFAOYSA-N 430.629 4.091 5 20 IIBD COc1ccc(-c2csc(CNC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)c2)cc1 473461206 LRADICQURBLKNB-UHFFFAOYSA-N 426.450 4.033 5 20 IIBD COc1cc(N[C@@H]2CCCN(C(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)C2)cc(OC)c1 475643459 XFMHKWCBCXHFBY-MRXNPFEDSA-N 428.489 4.337 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])cc(Cl)c1=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 475904768 WLCUPMFPWJQVCR-HNNXBMFYSA-N 430.675 4.080 5 20 IIBD CCOc1cc(N2CCN(C(=O)C[C@H](C)c3ccc(F)cc3F)CC2)ccc1[N+](=O)[O-] 477361113 IWDWAZHWTQXDEH-HNNXBMFYSA-N 433.455 4.114 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@H](c2nnc3n2CCC3)C1 477569513 GINYDZFMIHWKES-INIZCTEOSA-N 448.483 4.336 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN[C@@H](CO)c3ccccc3OC(F)(F)F)o2)c1 483083411 LIDURNXRZRHQAD-INIZCTEOSA-N 437.374 4.014 5 20 IIBD CCOC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)c1cc(SC)ccc1[N+](=O)[O-] 484605984 NFUGLUJVUXHJEU-FQEVSTJZSA-N 438.505 4.374 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N=c1nc(-c2ccccc2Cl)[nH]n1C 484870474 ABEOFANVRWYSRX-UHFFFAOYSA-N 431.905 4.220 5 20 IIBD CC[C@H](C)n1ncc(NC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C 485364569 UIJFYMFYIDHTNQ-NSHDSACASA-N 428.415 4.323 5 20 IIBD COc1ccc(COCc2cccc(NC(=O)c3cc(C(=O)O)cc([N+](=O)[O-])c3)c2)cc1 485642971 LDAOZMUCASLWFY-UHFFFAOYSA-N 436.420 4.271 5 20 IIBD C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 487017257 RKISKQVYPKHPID-SFHVURJKSA-N 434.496 4.013 5 20 IIBD COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 487831923 FVHXNTOGBGEYME-QGZVFWFLSA-N 444.919 4.210 5 20 IIBD COc1c(F)cc(S(=O)(=O)Nc2ccc(COCc3ccccc3)cc2)cc1[N+](=O)[O-] 488286164 PHYULQXEWZZEAD-UHFFFAOYSA-N 446.456 4.260 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C 489872845 PRZSZWDGRQYQBQ-GOSISDBHSA-N 443.569 4.070 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2O1 491060450 KTTHQYMGYKZATQ-DEPWHIHDSA-N 427.888 4.110 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cccc(S(=O)(=O)C2CCCCC2)c1 491541219 KTLFYHPDLUNPMH-UHFFFAOYSA-N 441.509 4.295 5 20 IIBD O=[N+]([O-])c1ccc(CN(C2CC2)S(=O)(=O)c2cccc(Cl)c2Br)cc1 493979052 WILGZRUYGPDAGB-UHFFFAOYSA-N 445.722 4.364 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccccc1Nc1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 495282083 CSKFWVSDBBYKGB-CYBMUJFWSA-N 440.406 4.433 5 20 IIBD C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccc(NC(=O)c2ccncc2)cc1 498122581 IYPVOBVSMOEJRN-OAHLLOKOSA-N 441.447 4.281 5 20 IIBD Cc1ccc(S(=O)(=O)N[C@@H](CSc2ncccc2[N+](=O)[O-])c2ccccc2)cc1 499300896 NHVUAINKALNDOS-SFHVURJKSA-N 429.523 4.110 5 20 IIBD CC(C)(C)c1ccc([C@H]2CCCN2C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)cc1 502706433 GNFXVFAJNCZXOW-GOSISDBHSA-N 430.526 4.273 5 20 IIBD COc1ccc(CN(CCNC(C)=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 502785343 STPLVQGOORALTB-UHFFFAOYSA-N 426.300 4.049 5 20 IIBD Cc1cc(=O)c(C(=O)N(C)C2CCC(C(C)(C)C)CC2)nn1-c1ccccc1[N+](=O)[O-] 502933913 DEOQNMWWPXVFQM-UHFFFAOYSA-N 426.517 4.126 5 20 IIBD COc1ccc([C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C(F)(F)F)cc1 505405450 XKIRCCXVVPWAJV-CQSZACIVSA-N 433.180 4.399 5 20 IIBD C[C@H](Sc1nnc(N2CCCC2)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 505891463 LNIFPJHZOZPKJT-VIFPVBQESA-N 447.464 4.185 5 20 IIBD O=C(NCc1ccc(F)cc1Br)C1CCN(c2ccccc2[N+](=O)[O-])CC1 507441295 MHKWHHODDASAID-UHFFFAOYSA-N 436.281 4.029 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccnc(Sc3ccccn3)c2)cc1OC 507903073 QSGHDNDLKGJPPS-UHFFFAOYSA-N 426.454 4.196 5 20 IIBD O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)c1 510460475 MSQMYQPZLAWGNK-ZWKOTPCHSA-N 428.432 4.369 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 512135671 NHWSOPJIMFBEIO-ZDUSSCGKSA-N 440.843 4.193 5 20 IIBD COc1ccccc1-c1ccc([C@@H](C)NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)cc1 512626352 TXTZCJIHDDVVBC-QGZVFWFLSA-N 447.491 4.072 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccccc1 513867045 ZXBHPOIHMVCZQG-QYRPDUKASA-N 441.915 4.475 5 20 IIBD COCCN(C(=O)C(=O)c1cc(F)ccc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 514144775 RGZSBGUYILBPRB-UHFFFAOYSA-N 443.456 4.028 5 20 IIBD COc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)cc2)c1 517178650 BOJIVQIJYRVJEN-HNNXBMFYSA-N 435.436 4.212 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)NCCCCN2CCC(Cc3ccccc3)CC2)c1 517606850 ZACVVDBICUXNBB-UHFFFAOYSA-N 425.529 4.068 5 20 IIBD Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 518563217 WSPRHZOFTHTOHQ-LBPRGKRZSA-N 433.921 4.489 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cc2nnc3ccccn23)cc1 518896116 RSIUVLOIKJHVGZ-HNNXBMFYSA-N 433.493 4.348 5 20 IIBD COc1cc(OCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(F)cc2)ccc1[N+](=O)[O-] 519985387 PUXPWXZUIBYMLQ-UHFFFAOYSA-N 442.447 4.243 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 521172418 QOPMTKNYXSGEIE-AWEZNQCLSA-N 428.489 4.336 5 20 IIBD CCOC(=O)c1cc(S(=O)(=O)N(c2cc(C)ccc2C)C(C)C)cc([N+](=O)[O-])c1C 522800395 WNOGYQCXGWATAW-UHFFFAOYSA-N 434.514 4.300 5 20 IIBD CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] 532439058 PXBKSOFXHDWXQE-UHFFFAOYSA-N 449.891 4.135 5 20 IIBD O=C(C[C@H](c1ccccc1)C(F)(F)F)NCCCNc1ncnc2ccc([N+](=O)[O-])cc12 539404788 VBYGUPCYKSPTKP-QGZVFWFLSA-N 447.417 4.192 5 20 IIBD CCN(Cc1nc(O)c2ccccc2n1)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 541258849 DAWQBARDWINDJG-UHFFFAOYSA-N 432.889 4.038 5 20 IIBD CCc1ccc([C@@H](Nc2cccc(N3C(=O)CN(C)C3=O)c2)c2ccc([N+](=O)[O-])cc2)o1 541569802 PNEVDVPDQMMCLS-QFIPXVFZSA-N 434.452 4.350 5 20 IIBD C[C@H](C(=O)NCc1ccc(N2CCc3ccccc3C2)nc1)c1ccc([N+](=O)[O-])cc1F 541613087 MZGJRQKVBLCFOZ-INIZCTEOSA-N 434.471 4.112 5 20 IIBD Cn1cnc(-c2cccc(NC(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)c2)n1 542173943 ACXQFXZZFTZZBS-UHFFFAOYSA-N 428.452 4.255 5 20 IIBD Cc1noc(C)c1CSc1ncccc1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1O 543677710 DITAVOVMMUKTKW-UHFFFAOYSA-N 434.861 4.498 5 20 IIBD O=C(N1CCc2sccc2C1)N1CCC[C@@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 544934440 NZLYHOALCYHWRQ-MRXNPFEDSA-N 439.497 4.064 5 20 IIBD COc1ccc(C2(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)CCOCC2)cc1 545288753 ZPKORJQDVYEMMO-UHFFFAOYSA-N 439.493 4.414 5 20 IIBD COc1ccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1OC(C)C 546216961 QKVZTLKNLXKIQX-UHFFFAOYSA-N 429.473 4.466 5 20 IIBD CCOc1c(Cl)cc(-c2noc(COc3ccc([N+](=O)[O-])c(OC)c3)n2)cc1OC 546944666 NXKXVSADKHRVHY-UHFFFAOYSA-N 435.820 4.293 5 20 IIBD CC(=O)N1CCc2c(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)cccc21 548377023 VWUICTHTKYHVGT-UHFFFAOYSA-N 433.414 4.121 5 20 IIBD C[C@@]1(CO)CCCN1C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 548690070 XGHCMPXSFJFMEX-FQEVSTJZSA-N 437.855 4.236 5 20 IIBD CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 551820205 UZBBIVZPDCAVPB-GOSISDBHSA-N 449.554 4.016 5 20 IIBD Cn1ccnc1[C@H](NCCc1cc(Br)ccc1F)c1ccc([N+](=O)[O-])cc1 552049202 OWAXMFKCMNIIGH-GOSISDBHSA-N 433.281 4.152 5 20 IIBD CC[C@H](c1ccccc1OC)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 557858961 IWNUDDQCCPOHCP-OAHLLOKOSA-N 432.420 4.394 5 20 IIBD Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 562013950 CYOYBFDLDRHNEL-UHFFFAOYSA-N 448.708 4.369 5 20 IIBD COC[C@@H](Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1cccc(Cl)c1 564720262 YJINSJXLNCQIQI-QGZVFWFLSA-N 435.267 4.247 5 20 IIBD CC(C)Oc1ccc(N(C)C(=O)c2cc(I)cc([N+](=O)[O-])c2)cc1 565928672 LLUKWLVDUFHXLI-UHFFFAOYSA-N 440.237 4.263 5 20 IIBD O=C(Nc1cc2c(cn1)CCC2)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 567386449 PSTVORWWKOTCHY-UHFFFAOYSA-N 434.418 4.352 5 20 IIBD CC[C@H](C)N[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccco1 572750507 AYTSGKSJCOTVOB-RNODOKPDSA-N 439.462 4.412 5 20 IIBD O=[N+]([O-])c1cnn(C[C@@H](O)COc2ccc(-c3nc4ccccc4s3)cc2Cl)c1 575335213 TWDOGUGQUGIDAF-CQSZACIVSA-N 430.873 4.161 5 20 IIBD O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 578161343 HIHNTBSYGKLJBS-PMERELPUSA-N 430.482 4.157 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(Oc3cc(OC)cc(OC)c3)cc2)n1 578683149 NPEANONFNSELHO-UHFFFAOYSA-N 439.424 4.198 5 20 IIBD O=C(CCN1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1)Nc1ccc([N+](=O)[O-])cc1 583889031 OTFSHVYEZJMIRL-GOSISDBHSA-N 442.274 4.443 5 20 IIBD CSc1ccccc1NC(=O)[C@H](C)SCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 584492161 STFJNUUPLXNJDJ-ZDUSSCGKSA-N 447.538 4.375 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1)c1ccc([N+](=O)[O-])cc1 603937333 TZUXTOLIYWFLCQ-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD O=C(Cn1cc(Br)c([N+](=O)[O-])n1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 603948291 NFGPGNOYGCAIJV-QGZVFWFLSA-N 449.692 4.113 5 20 IIBD Cc1nn(C)c2ncc(NC(=O)c3ccc(N[C@H](C)c4ccccn4)c([N+](=O)[O-])c3)cc12 604299459 FAONQCRWVMTRGC-CQSZACIVSA-N 431.456 4.005 5 20 IIBD Cc1c(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)n[nH]c1C(F)(F)F 604498247 XSNMHBDGXQNKIZ-QWRGUYRKSA-N 425.411 4.380 5 20 IIBD O=C(Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1)c1cc2c(cc1[N+](=O)[O-])OCO2 604499399 XFNWLVHJWHYYCI-UHFFFAOYSA-N 434.383 4.182 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCc2c(Br)cccc2C1 609724953 VJAULNDCWLMZFJ-UHFFFAOYSA-N 439.693 4.365 5 20 IIBD COC(=O)c1ccc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1Cl 609817041 MDMYDCOZVNXGAK-UHFFFAOYSA-N 442.859 4.149 5 20 IIBD CCOC(=O)c1ccnc(Sc2nc3sc(C)c(C)c3c(=O)n2C(C)C)c1[N+](=O)[O-] 609960800 RLMOBSDZRMTPPK-UHFFFAOYSA-N 448.526 4.287 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Sc2cc(Br)ccc2OC)c([N+](=O)[O-])c1 610167458 BBCPBMZPVHUJSU-SNVBAGLBSA-N 441.303 4.494 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[C@@H](c3ccccc3)[C@H]2C)cc1OC 610186635 HIIUWSMZACJJRH-JFIYKMOQSA-N 428.485 4.035 5 20 IIBD O=[N+]([O-])c1ccc([C@@H]2SCCN2S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)cc1 611222565 DLUASRAKCLVRLM-INIZCTEOSA-N 448.444 4.071 5 20 IIBD COC(=O)c1cc(NC(=O)NCCc2ccc(C(F)(F)F)cc2)c(C)c([N+](=O)[O-])c1 617015638 ZYHCPEYQSBMSJF-UHFFFAOYSA-N 425.363 4.073 5 20 IIBD CCCNc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC 619467757 BLOKNFXKQUBIFU-UHFFFAOYSA-N 433.408 4.245 5 20 IIBD CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 681997467 BVAUWEIARSLGQE-VWLOTQADSA-N 445.563 4.325 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)OCC(=O)c2ccc(C(C)C)cc2)ccc1[N+](=O)[O-] 726675779 KMQJSNRHAXZTBX-NRFANRHFSA-N 438.480 4.057 5 20 IIBD CC(C)[C@@H](C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CCCCC1 729305653 UXTZZCAMVGWHMH-NRFANRHFSA-N 425.485 4.263 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 730230430 MCFGWNUONPQCTF-OAHLLOKOSA-N 443.525 4.485 5 20 IIBD O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)c1cc([N+](=O)[O-])ccc1Cl 732575296 BKPUHTVDFLRVKB-LBPRGKRZSA-N 438.709 4.267 5 20 IIBD CCN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H](c1ccc(C)cc1)c1cccnc1 732964349 WENMPQAQSADJBM-XMMPIXPASA-N 429.480 4.286 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)COc2cccc(C=O)c2)c2ccccc2)c([N+](=O)[O-])c1 733593456 AVYDVROFCHGQHP-QHCPKHFHSA-N 448.431 4.018 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)O[C@H](c1ccc(Br)cc1)C1CC1 734727925 QKHSCSTYINXPAY-IBGZPJMESA-N 447.285 4.172 5 20 IIBD CC(=O)Nc1cccc(OC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c1 735991209 LFTRRVNCEYXGEX-UHFFFAOYSA-N 435.223 4.265 5 20 IIBD O=C(Nc1ccc(-n2cnc3ccccc32)nc1)c1ccc([N+](=O)[O-])cc1Br 739502583 JOKJPFHDLQITLE-UHFFFAOYSA-N 438.241 4.344 5 20 IIBD COc1ccc(Oc2ccc(S(=O)(=O)Oc3cc([N+](=O)[O-])ccc3OC)cc2)cc1 741251418 CLPOHOYEVIKNPV-UHFFFAOYSA-N 431.422 4.172 5 20 IIBD Cc1oc(-c2ccccc2F)nc1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 742872840 JBJSMOMTBRRGMP-UHFFFAOYSA-N 425.416 4.381 5 20 IIBD COC(=O)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(Cl)c1 743797176 UNOYXMIVGHBJGD-ABAIWWIYSA-N 441.267 4.090 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@@H]3C[C@@H]3c3cccc(F)c3F)CC2)ccc1[N+](=O)[O-] 744175952 WNCCTSVCKKPBIR-IAGOWNOFSA-N 432.423 4.197 5 20 IIBD CN(CC(=O)OCC(=O)Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1[N+](=O)[O-] 745614481 DMSIHKBWWKKSSX-UHFFFAOYSA-N 446.674 4.173 5 20 IIBD CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)OCc1ccc([N+](=O)[O-])cc1F 746980512 WVQSYNCTIQJSMS-ZDUSSCGKSA-N 441.502 4.142 5 20 IIBD COc1ccc(NC(=O)c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2)cn1 748653896 FRFPEJKOOAZZLU-UHFFFAOYSA-N 426.816 4.156 5 20 IIBD C[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)c1ccccc1[N+](=O)[O-] 749052320 BOFQLWGKVGRXOD-CHWSQXEVSA-N 433.258 4.015 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)O[C@H](c1ccccc1)c1nc(-c2ccccc2)no1 749053741 KMBZBZHFAHRABP-OAQYLSRUSA-N 431.404 4.356 5 20 IIBD O=C(CN(Cc1ccccc1F)C[C@H](O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1F 750091406 KIMHCDFJQBNCEG-QFIPXVFZSA-N 441.434 4.047 5 20 IIBD CCCOc1ccc(-c2nc(C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)cs2)cc1 750277513 RRNFUDVNHGMYNR-UHFFFAOYSA-N 441.465 4.303 5 20 IIBD O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1occc1COc1ccccc1 750426758 IBTZAQCLSMMZBW-UHFFFAOYSA-N 437.452 4.235 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CCN(Cc2cccs2)CC1 750828381 UQUUCEZAQARWDT-UHFFFAOYSA-N 444.738 4.030 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1[N+](=O)[O-] 752232987 HYMVUAHRVLWYKY-UHFFFAOYSA-N 434.905 4.001 5 20 IIBD O=C(COC(=O)c1c(F)ccc([N+](=O)[O-])c1F)Nc1cc(C(F)(F)F)ccc1Cl 752568693 SKQBNFXUBOSPFA-UHFFFAOYSA-N 438.692 4.341 5 20 IIBD CCS[C@@H](C)c1noc(COC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)n1 753435101 XFRJUIZYIZEVDV-VIFPVBQESA-N 430.280 4.220 5 20 IIBD COC[C@@H](N[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1ccco1 754332911 JSSWJCXAPJDFFK-XLIONFOSSA-N 429.860 4.498 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCc1cc2c(Cl)cccc2[nH]1 754721700 MNBYLAALSUCNEG-UHFFFAOYSA-N 429.816 4.161 5 20 IIBD COc1cccc(C[C@@H]2CCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c1 754986581 FBBDLJCAYHVXGU-AWEZNQCLSA-N 437.265 4.352 5 20 IIBD COc1cc(C)c(CN(C)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1OC 755024967 UVRXNXAODQSOCC-UHFFFAOYSA-N 438.278 4.347 5 20 IIBD Cc1c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cccc1-c1ccccn1 755028467 YZLWZUJTBPILGL-UHFFFAOYSA-N 425.828 4.414 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cccc1[N+](=O)[O-] 755097581 CTODKOTVNRRAMV-JTQLQIEISA-N 441.318 4.014 5 20 IIBD CC(C)(C)OC(=O)N1CCC(n2cc(NC(=O)Nc3cccc([N+](=O)[O-])c3)cn2)CC1 755338452 ZRXOPYZBFWKHDJ-UHFFFAOYSA-N 430.465 4.007 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cn(-c2ccc(Br)cc2)cn1 755437142 IIPLPFWFMIDTQN-UHFFFAOYSA-N 449.692 4.469 5 20 IIBD O=C(NCc1ccc(Oc2ccccc2)nc1)c1cccc([N+](=O)[O-])c1Br 758194978 ZNGZSKPSVPQHIJ-UHFFFAOYSA-N 428.242 4.475 5 20 IIBD COc1ccc(C(=O)[C@H](C)OC(=O)c2cccc([N+](=O)[O-])c2Br)cc1Cl 758526204 FIYSETHZJSOFGL-VIFPVBQESA-N 442.649 4.448 5 20 IIBD Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)o2)cc1C 758934369 WSXMKYXTSWUZCQ-OAHLLOKOSA-N 433.424 4.365 5 20 IIBD CCc1nc(N)sc1C(=O)O[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 759794958 VRSRKHHUXDSCSG-QGZVFWFLSA-N 440.481 4.041 5 20 IIBD O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 759796088 LSCQFHJMQSJGLB-HXUWFJFHSA-N 428.404 4.178 5 20 IIBD O=[N+]([O-])c1ccc(CCc2nc(CCc3ccc(OC(F)F)cc3)no2)c([N+](=O)[O-])c1 762125727 JKYCZXQONNDSFO-UHFFFAOYSA-N 434.355 4.058 5 20 IIBD CSc1ccc(-c2nsc(NC(=O)c3cc([N+](=O)[O-])c4nsnc4c3)n2)cc1 762814991 JMDQAHDQTYTCJT-UHFFFAOYSA-N 430.496 4.092 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@H](C)c2ccccc2[N+](=O)[O-])c1 764594594 ATWZWWXXWICXKI-CYBMUJFWSA-N 440.905 4.197 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C1CCC(NC(=O)OC(C)(C)C)CC1 765083217 ZBDCWGBXDHYACR-VIQWUECVSA-N 433.549 4.458 5 20 IIBD COc1cccc(Br)c1OC(=O)Cc1ccc([N+](=O)[O-])cc1Br 769718273 OWYLJWPCKXLYTQ-UHFFFAOYSA-N 445.063 4.277 5 20 IIBD Cc1cc(NC(=O)Nc2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1[N+](=O)[O-] 771187261 ZJYZHHPHAYXFKF-UHFFFAOYSA-N 444.492 4.316 5 20 IIBD COc1cc(C(=O)Nc2ncc(C3(O)CCCCC3)s2)c([N+](=O)[O-])cc1OC(F)F 773197278 XDLXWKOKUMAUQD-UHFFFAOYSA-N 443.428 4.065 5 20 IIBD CC(C)(C)OC(=O)NCCc1ccc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 774160504 HMVIJUXFRQZEJR-VQTJNVASSA-N 443.548 4.132 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O 775492015 MZPUEGBOFLSJCQ-IBGZPJMESA-N 427.526 4.016 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCc2ncc(NC(=S)Nc3ccc([N+](=O)[O-])cc3)cc2C1 776732616 OBZKTTFMUNXMDQ-HNNXBMFYSA-N 443.529 4.181 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)C[C@H](C)C(=O)c1ccc(Cl)cc1 777215864 KJPLZTASVKBTAO-STQMWFEESA-N 448.859 4.036 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(C[C@H](O)c3ccc(Cl)cc3)n2)c(Br)c1 777736149 PEVPULCOMBBMGZ-HNNXBMFYSA-N 438.665 4.261 5 20 IIBD C[C@H](OC(=O)[C@@H](F)Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 778202905 QJZFWJKQRQVWQN-NHYWBVRUSA-N 428.338 4.065 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1C 780282190 FVUNMAVRPQGKMV-UHFFFAOYSA-N 433.442 4.109 5 20 IIBD CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 780659108 MEPYBSXGUFJLAM-KRWDZBQOSA-N 437.540 4.351 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[C@@H](C)N1C(=O)OC(C)(C)C 780692448 KHRNVDUPTSVCKI-HZPDHXFCSA-N 435.524 4.151 5 20 IIBD Cc1ccnc(-n2c(Sc3ncnc4ccc([N+](=O)[O-])cc34)nc3ccccc3c2=O)c1 782134115 DLDGSOHYBYZRTG-UHFFFAOYSA-N 442.460 4.092 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)OCCc2c(C)n[nH]c2C)cc1[N+](=O)[O-] 783415722 TVLLBANVJNPFEZ-UHFFFAOYSA-N 439.493 4.287 5 20 IIBD CC(C)(C)OC(=O)NCc1cccc(C(=O)O[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 786958977 OZSKTQGQIGORIZ-ROUUACIJSA-N 444.488 4.157 5 20 IIBD CN(C)CCc1ccc(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cc1 787335678 MUKVMWRWAPPNAG-UHFFFAOYSA-N 440.725 4.045 5 20 IIBD CC1(C)COc2c(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)cccc21 789246591 YVRLWKUZGRNTSB-UHFFFAOYSA-N 438.358 4.079 5 20 IIBD Cc1c(Br)cc(C(=O)O[C@H]([C@@H]2CCCOC2)C(F)(F)F)cc1[N+](=O)[O-] 789661602 YNSPRTSJLDFKTB-NOZJJQNGSA-N 426.185 4.180 5 20 IIBD CCCOC(=O)c1cc(-c2cncnc2)ccc1NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 789671513 ISSMZTFKXWUQCQ-UHFFFAOYSA-N 437.412 4.139 5 20 IIBD CSc1cccc(C)c1NS(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] 795350204 BHYUKLIDRHQYDU-UHFFFAOYSA-N 435.296 4.328 5 20 IIBD CCCCN(C)C(=O)c1ccccc1S(=O)(=O)Oc1cc(C)c([N+](=O)[O-])cc1Cl 796206242 ZPXZWJSXXLFHOH-UHFFFAOYSA-N 440.905 4.196 5 20 IIBD C[C@H](OC(=O)c1ccccc1[N+](=O)[O-])C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 797109467 FMTMHMZWEZAYTK-JTQLQIEISA-N 433.392 4.181 5 20 IIBD C[C@H](OC(=O)CC(C)(C)CC(=O)c1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 799568043 DUGSSQCQYOJZSM-AWEZNQCLSA-N 430.432 4.293 5 20 IIBD C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 800554320 ZZJYWPOYGBKIIN-CYBMUJFWSA-N 449.305 4.041 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)CCc1ncc(C(C)(C)C)o1 800800748 PBDKLFIAYLYIBN-UHFFFAOYSA-N 441.488 4.300 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H](O)c3cccc(Br)c3)cs2)c1 801735449 VERRHFUNPGPBGM-QGZVFWFLSA-N 434.315 4.304 5 20 IIBD O=C(OCC(=O)c1cccc(Cl)c1Cl)c1cc(Br)ncc1[N+](=O)[O-] 801853821 VYRZWBSGQWQYQJ-UHFFFAOYSA-N 434.029 4.099 5 20 IIBD Cc1ccsc1S(=O)(=O)NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 802868112 BIUMHPPOVREKSJ-UHFFFAOYSA-N 426.541 4.118 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N(Cc1ccccc1)C[C@H](O)c1ccccc1 804408968 HUWRWHXCAOHOIJ-QHCPKHFHSA-N 443.459 4.225 5 20 IIBD Cc1c(Cc2noc([C@@H]3CN(C(=O)OC(C)(C)C)CCC3(F)F)n2)cccc1[N+](=O)[O-] 809435744 MWPYKDGVDSUSKE-AWEZNQCLSA-N 438.431 4.237 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 809919730 DQUJVZPDOZHBCV-STQMWFEESA-N 426.901 4.405 5 20 IIBD Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)C2)cc1 810406737 FZZRRSBQRYTSEY-UKRRQHHQSA-N 446.301 4.009 5 20 IIBD C[C@H](C(=O)N1CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccc([N+](=O)[O-])cc1F 810948135 YUPFKLZQWJVENN-DOTOQJQBSA-N 449.523 4.333 5 20 IIBD Cc1cc(NC(=O)[C@@H](C)SCC(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])no1 811049977 PUJOHCQSLBJRSN-SECBINFHSA-N 448.284 4.002 5 20 IIBD CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811215234 QGMNBJRRRMOPNA-INIZCTEOSA-N 435.502 4.311 5 20 IIBD CCOC(=O)c1csc(N(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C2CC2)n1 813013850 HCZUOKONXBJRLF-UHFFFAOYSA-N 430.269 4.344 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 813243796 YSSZJYNLUGWJHJ-UHFFFAOYSA-N 437.905 4.065 5 20 IIBD C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 813878143 KUIMVYYIAITUKQ-FUHWJXTLSA-N 446.548 4.224 5 20 IIBD CC(C)[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@H]1CCOc2ccccc21 877121061 XFGTXOAOTNYSSP-PKOBYXMFSA-N 432.860 4.070 5 20 IIBD CC(C)[C@@H](OC(=O)COc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(Cl)ccc1Cl 915365657 NVTWMIRVTWHJOM-GOSISDBHSA-N 441.267 4.487 5 20 IIBD Cc1ccc(-c2nc(C)c(C(=O)O[C@@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)s2)o1 915467261 QMMAYYPURLGVIK-NSHDSACASA-N 433.417 4.251 5 20 IIBD O=C(NS(=O)(=O)c1cccs1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 915819233 ZPCAGAHJMKAFMK-UHFFFAOYSA-N 438.870 4.221 5 20 IIBD CCc1c(C(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)cnn1C 916335107 OSTOLPLMHKXYKR-UHFFFAOYSA-N 428.832 4.016 5 20 IIBD CC1CCN(C(=O)c2ccccc2NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 917835250 JGXFZZOCDYJLQX-UHFFFAOYSA-N 446.301 4.482 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)c1ccc(-n2cccn2)cc1)c1cccc([N+](=O)[O-])c1 918635250 DAYNBHVNCQMJIW-HXUWFJFHSA-N 448.479 4.022 5 20 IIBD Cc1ccc(Cl)c(O[C@H](C)C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])c1 919448797 JLTKIYFJSMZEQO-LLVKDONJSA-N 427.240 4.159 5 20 IIBD Cc1ccccc1-c1noc(CN2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)n1 919963605 IRXVFUWRDICIEF-UHFFFAOYSA-N 447.417 4.294 5 20 IIBD COc1ccccc1COC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] 919975974 BKABDEKCVFEMED-UHFFFAOYSA-N 430.438 4.005 5 20 IIBD C[C@H](Nc1ccc(C(=O)OCc2nnc(C(C)(C)C)o2)cc1[N+](=O)[O-])c1ccccn1 920545552 SUODTARXPRNGKV-ZDUSSCGKSA-N 425.445 4.200 5 20 IIBD COc1ccc(-c2nc(=S)n(CN(Cc3ccc([N+](=O)[O-])cc3)C(C)C)[nH]2)c(OC)c1 921046272 QSANDRDVQPKUOG-UHFFFAOYSA-N 443.529 4.401 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@H](c2ccc(Cl)s2)C1 1116316734 LGGKLHDKDPXANT-LBPRGKRZSA-N 437.326 4.034 5 20 IIBD Cc1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)no1 1253794045 JYDNKYSDVNPPTH-MRXNPFEDSA-N 449.511 4.236 5 20 IIBD O=C(Nc1cnn(-c2ccccc2Br)c1)N1Cc2ccc([N+](=O)[O-])cc2C1 1335801024 ASOSZWODAYAIOI-UHFFFAOYSA-N 428.246 4.091 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nnc(CCN2CCN(c3ccccc3)CC2)o1 1345702343 OGZVLORPYVYNNJ-KRWDZBQOSA-N 439.541 4.196 5 20 IIBD CC1=C(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccc([N+](=O)[O-])o4)cc3)CCC2)CCO1 1786204384 BRAYZAPHFDFFMV-VQHVLOKHSA-N 437.452 4.029 5 20 IIBD Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])[nH]4)CCC3)cc2)nc1 1786867823 WZPWFGDYSFKHPM-UHFFFAOYSA-N 447.495 4.007 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)CCc4ccc[nH]4)cc3)CCC2)ncc1[N+](=O)[O-] 1788188668 DJBRTOYTFQUHMM-UHFFFAOYSA-N 447.495 4.007 5 20 IIBD Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCC2CCC2)cc(Cl)cc1[N+](=O)[O-] 1793375494 VRAHBHOPOKMSIL-BCDXTJNWSA-N 433.936 4.389 5 20 IIBD CC(C)=CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)n[nH]1 1821044511 IXLVVFFKUYNHDG-QGZVFWFLSA-N 441.488 4.076 5 20 IIBD CCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1824278748 LJFWTECZRMIBGE-LHUXKHBRSA-N 431.533 4.257 5 20 IIBD Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1F 1829963785 FXDGJRMKTXQQNF-LJQANCHMSA-N 443.475 4.182 5 20 IIBD O=C(c1cc2c(Cl)cccc2s1)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 1840965622 KGZSWXMIMIKBJZ-UHFFFAOYSA-N 445.884 4.187 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC2(CCCN2C(=O)[C@H]2CCC(F)(F)C2)C1 1841016060 CHVLKBNPPLUYIK-ZDUSSCGKSA-N 449.479 4.062 5 20 IIBD CC1=CC[C@H](C(=O)N2CC3(CCCN3C(=O)c3cc(Cl)cc([N+](=O)[O-])c3C)C2)CC1 1845499440 TXIYHVOXWIPWHF-INIZCTEOSA-N 431.920 4.120 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)CCCCCC(C)(C)C)C2 1845542435 XYQLIHDEDMXQLT-UHFFFAOYSA-N 445.560 4.422 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2ccccc2C(C)C)cc1OC 18803189 FHSIELDOEAJFGG-CQSZACIVSA-N 430.457 4.310 5 20 IIBD Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c(C)c1 24715064 WJWUGVMURIMHSA-SFHVURJKSA-N 439.512 4.307 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1N1CCc2ccccc21 31532488 NTEVSJJJKWOGLD-UHFFFAOYSA-N 430.464 4.048 5 20 IIBD COc1cc(CNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)ccc1OCc1cccnc1 31712642 VUYWXCAXZDMQJE-UHFFFAOYSA-N 439.493 4.229 5 20 IIBD Cc1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc1NC(=O)c1ccccc1F 32176179 ZRVLVCYFFFMUEP-UHFFFAOYSA-N 436.443 4.137 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)c1 60417502 JTXYWPXXYVPYNO-UHFFFAOYSA-N 425.485 4.183 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccnn2Cc2cccc(C)c2)cc1[N+](=O)[O-] 105986563 XPNUSQZNCVLSAB-UHFFFAOYSA-N 426.498 4.029 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC)c(NC(=O)c2cccc(F)c2)c1 107641092 LFJZZBOJGKPJFN-UHFFFAOYSA-N 438.415 4.289 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1C(F)(F)F 107885856 BVLLDFMQJKFDSW-DNXKIMQPSA-N 449.385 4.383 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(CNc3ccc(Br)cc3[N+](=O)[O-])cc2)C[C@@H](C)O1 109076302 FAHIPGIWLNKDAX-ZIAGYGMSSA-N 448.317 4.219 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(SC(=O)N(C)C)cc2)cc1[N+](=O)[O-] 111197601 SVTSDFGMTIOBDN-UHFFFAOYSA-N 435.527 4.249 5 20 IIBD O=C(NCCC(=O)N1CCCCC1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 117312718 INIAFIVDVQDCQD-UHFFFAOYSA-N 431.876 4.173 5 20 IIBD CSc1ccc(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)cc1[N+](=O)[O-] 195666450 MPCTVAJAGAFKTF-MRXNPFEDSA-N 437.315 4.293 5 20 IIBD O=C(COc1cccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1)N1CCCC1 238020550 WGBADOKHEQLPRK-UHFFFAOYSA-N 438.509 4.332 5 20 IIBD O=C(NC1(c2ccc(Br)cc2)CC1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 303431082 FUOLZHFUKNYAQQ-UHFFFAOYSA-N 428.242 4.030 5 20 IIBD CC(C)(NC(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1)c1ccc([N+](=O)[O-])cc1 431203761 BVMASSNAGZCQAN-UHFFFAOYSA-N 437.456 4.491 5 20 IIBD COC(=O)CSCc1cccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 431454473 AFIHVERCMOTSEP-UHFFFAOYSA-N 439.287 4.016 5 20 IIBD COC(=O)c1sc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)nc1C(C)(C)C 432744079 DCIBVADZEBJNED-UHFFFAOYSA-N 442.291 4.150 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 433694030 GEQXSCKQJOLERE-HTAPYJJXSA-N 436.512 4.135 5 20 IIBD CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 436390238 PYJWFIXHGBHYPV-NSHDSACASA-N 442.360 4.026 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC1CCC2(CCOCC2)CC1 438513736 DACHVBYICHSCSZ-UHFFFAOYSA-N 429.439 4.271 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(OC4COC4)cc3)cc2[N+](=O)[O-])C1 444331103 UUXFMQBNAQKLQB-HZPDHXFCSA-N 425.485 4.107 5 20 IIBD O=C(N=c1nc(Cc2ccc(F)cc2F)[nH]s1)c1ccc2[nH]c3ccccc3c(=O)c2c1 444773827 TTYSJWHTFLOZSH-UHFFFAOYSA-N 448.454 4.076 5 20 IIBD COc1cc(C)c([C@H](C)NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1OC 444850888 AHGKGZBHUANSQR-VIFPVBQESA-N 429.292 4.235 5 20 IIBD Cc1nc(COc2cccc(/C=C\c3nc(-c4c([N+](=O)[O-])nc(C)n4C)no3)c2)cs1 445610106 KBEOKNQCUUVMKW-FPLPWBNLSA-N 438.469 4.201 5 20 IIBD C[C@H](Nc1ccc(C(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)cc1[N+](=O)[O-])c1ccccn1 446653799 OGBKOOKDMPHSFE-HNNXBMFYSA-N 436.516 4.456 5 20 IIBD CNC(=O)c1ccc(Cl)c(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 447378090 ZSEPYCIHVGXITQ-UHFFFAOYSA-N 439.855 4.439 5 20 IIBD CC(C)[C@H]1C[C@@H](NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c2ccccc21 448286392 XJXSDIIXWJDWFG-QZTJIDSGSA-N 442.541 4.008 5 20 IIBD CCc1c(C(=O)NCCc2ccccc2[N+](=O)[O-])cnn1-c1ccc(Br)cc1 460483911 UVBXNRPWJATBGD-UHFFFAOYSA-N 443.301 4.078 5 20 IIBD CCS[C@@H]1CCCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCOC2)C1 461536859 NVLKSNSNUXCLQO-VQIMIIECSA-N 431.562 4.002 5 20 IIBD C[C@@H](c1c(F)cccc1F)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 461584756 ZIEWKKSHKWIRQQ-GJZGRUSLSA-N 443.454 4.365 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 462614541 LJVPBDJFZAVJPJ-YHYVQYDKSA-N 445.947 4.005 5 20 IIBD O=C(c1ccccc1OCc1cscn1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464637225 YTNDZWPLZOCCJC-UHFFFAOYSA-N 439.493 4.314 5 20 IIBD CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 465296047 OYTQBSOXFVNHSS-UHFFFAOYSA-N 425.485 4.332 5 20 IIBD CCO[C@@H]1COCC[C@@H]1NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 466736567 XADWZVKUDGCKJI-DLBZAZTESA-N 436.917 4.323 5 20 IIBD CCOc1cc(NC(=O)C(=O)N2CCC[C@H]2c2ccccc2C)c([N+](=O)[O-])cc1OCC 466972344 ZWINSTRKWSXBLS-SFHVURJKSA-N 441.484 4.003 5 20 IIBD CCCC(=O)Nc1nc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)s3)cc2s1 466979162 NQXXVSPSCBIBBH-UHFFFAOYSA-N 440.528 4.114 5 20 IIBD COC[C@H]1CCCCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)C1 467955035 UYBJKOCIVNCPSY-AWEZNQCLSA-N 449.554 4.021 5 20 IIBD COc1cc(C(=O)NC(C)(C)Cc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])cc1OC 468288039 SFEWXGRYHFYFLT-UHFFFAOYSA-N 426.391 4.382 5 20 IIBD C[C@H](O)C[C@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 469066355 RNIFVOVOYXEFAY-PGRDOPGGSA-N 433.508 4.491 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 470231295 GILCNEWBUKBMCW-INIZCTEOSA-N 447.278 4.381 5 20 IIBD CN(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H](c1ccc(Cl)cc1)c1cnccn1 470622681 FXRLINCILSTYPI-FQEVSTJZSA-N 425.876 4.012 5 20 IIBD COc1cc(OC)c2cc(CCCNC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 470910926 MYNIPBDTYPSJSJ-UHFFFAOYSA-N 425.485 4.120 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C(=O)N1Cc2ccccc2C1 477557082 JFBVSAZFERURKH-OAHLLOKOSA-N 427.526 4.004 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1 477959467 CDYBQXLCLNMODN-HNNXBMFYSA-N 449.385 4.026 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 480575282 FCWFFOKYNMGWMU-GASCZTMLSA-N 442.388 4.212 5 20 IIBD C[C@H]1CN(Cc2ccccc2NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C[C@H](C)O1 482903470 XGQMLOVCCOCUHM-ROUUACIJSA-N 438.528 4.401 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CN(CCO)Cc3ccc(Br)s3)co2)cc1 485109355 SLJWWRRVKNOWII-UHFFFAOYSA-N 438.303 4.068 5 20 IIBD CNC(=O)c1cc(Oc2ccccc2NC(=O)c2cccc(SC)c2[N+](=O)[O-])ccn1 486432141 RVQXAAGJCDDLQP-UHFFFAOYSA-N 438.465 4.116 5 20 IIBD CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 486712702 HOXHBDGCIMVQFK-JKSUJKDBSA-N 427.526 4.123 5 20 IIBD Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] 487985359 DKLRPJWRCFAHRG-MAUKXSAKSA-N 429.904 4.286 5 20 IIBD CC(C)[C@@H]1OCCC[C@H]1CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 488002506 YJFHOSWPOMEBOZ-ZJBJCVSYSA-N 426.517 4.344 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)NCC(C)C)cc1C 488640972 CGHOKMRFCYLEFN-UHFFFAOYSA-N 445.541 4.280 5 20 IIBD O=C(Nc1ccccn1)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 489014740 NSCNOTYWQRWUFX-UHFFFAOYSA-N 428.351 4.096 5 20 IIBD O=C(Nc1nc2ccc(I)cc2s1)c1ccccc1[N+](=O)[O-] 491031324 DMYACGYQNWEWIE-UHFFFAOYSA-N 425.207 4.061 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC2(CC1)OCCc1ccsc12 491943471 VVKMHTNOYVULHB-UHFFFAOYSA-N 444.556 4.307 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)cc1C 497773660 LJKMGVLJPGZPCZ-QGZVFWFLSA-N 441.509 4.225 5 20 IIBD O=C(Nc1cnn(-c2ccccc2Br)c1)c1ccc([N+](=O)[O-])c2cccnc12 498655801 QSEZPVOFMHHBPA-UHFFFAOYSA-N 438.241 4.344 5 20 IIBD COc1ccccc1OCC(=O)Nc1cccc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)c1 498732844 GJHCKFDFICOMIZ-UHFFFAOYSA-N 435.436 4.182 5 20 IIBD CCc1cc(O)nc(-c2cccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c2)n1 500364531 GEGHQQDQWZBZKU-UHFFFAOYSA-N 433.468 4.172 5 20 IIBD CCN(C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)c1ccc(OC)c(OC)c1 500923973 LFRXXYHOAHCLIP-UHFFFAOYSA-N 438.484 4.140 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NC[C@H](Cc2ccccc2)N(C)C)cc1[N+](=O)[O-])c1ccccn1 506046113 QOQSRWVAZOCQMY-NQIIRXRSSA-N 447.539 4.066 5 20 IIBD C[C@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccccc1Oc1ccccc1 506199956 KTPBNRQDZNSNMF-INIZCTEOSA-N 429.436 4.459 5 20 IIBD CC[C@H](C)Oc1ccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 508179606 WTLPXWJGRXLNPK-ZDUSSCGKSA-N 427.486 4.304 5 20 IIBD COc1ccc(Cl)c(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)c1 509595335 YKGDSWIKTZXXGH-UHFFFAOYSA-N 446.628 4.422 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCc2ccccc2-n2cccn2)cc1[N+](=O)[O-])c1ccccn1 510150629 TXLCDADSOXIJOL-QGZVFWFLSA-N 442.479 4.279 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[C@H]2CCCC[C@H]21 512699072 IFXFMWXUMTYNQI-OWRWGESLSA-N 428.270 4.159 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 514642691 KYCGFQZQGSDRJK-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 515665398 XQDXPUIJBWZGAP-HOTGVXAUSA-N 435.484 4.375 5 20 IIBD CC[C@H](C)[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])C(=O)N1CCC(Cc2ccccc2)CC1 518115454 DKXWBVTVNJKHMU-FDDCHVKYSA-N 437.540 4.221 5 20 IIBD COc1ccc(-c2nc(Cc3c(F)ccc(Br)c3F)no2)cc1[N+](=O)[O-] 518348956 IUEKNJIPIBSWPX-UHFFFAOYSA-N 426.173 4.285 5 20 IIBD COc1ccccc1Oc1ccc(CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cc1 518377251 BOVDSSJULOBXRT-UHFFFAOYSA-N 436.420 4.097 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(Oc2ccc(F)cc2F)CC1 518833844 ZILYYRQKASFMMR-GFCCVEGCSA-N 440.830 4.364 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@H](c3ccccc3)C[C@@H]2OC)cc1SC 519784526 SOXSFJSCPABUGR-WDYCEAGBSA-N 430.526 4.406 5 20 IIBD COc1ccc(CC(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)cc1[N+](=O)[O-] 520967977 LQMHVZWFYKYDQF-UHFFFAOYSA-N 440.843 4.085 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cn(-c2ccccc2)nc1-c1cccs1 524691247 TUFFIZVXGXCZJP-UHFFFAOYSA-N 434.477 4.318 5 20 IIBD CC[C@@H]1Oc2cc([C@@H](C)N[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)ccc2NC1=O 524721789 ATJRRYNPCWKXMA-SOZUMNATSA-N 446.891 4.036 5 20 IIBD COc1cc(C(=O)N[C@H]2C[C@H]2C2CCCCC2)c([N+](=O)[O-])cc1OCc1cscn1 525079192 BVAXBQGRWSQVIV-RDJZCZTQSA-N 431.514 4.338 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 533934414 KZPCZJWJOJWLMM-CYFREDJKSA-N 432.524 4.132 5 20 IIBD Cc1ccc2nc([C@@H]3CCCN(CC(=O)Nc4ccc(Cl)cc4[N+](=O)[O-])C3)[nH]c2c1 537020328 QYXBPATVRKQCGS-CQSZACIVSA-N 427.892 4.251 5 20 IIBD Cn1cc(C(=O)N[C@H]2CCCOc3cc(Cl)ccc32)c(-c2ccc([N+](=O)[O-])cc2)n1 537274239 QQVQADXYQJXNGE-SFHVURJKSA-N 426.860 4.292 5 20 IIBD C[C@H](C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F 541597837 MQWHMXJFEYXXDG-QFBILLFUSA-N 437.475 4.120 5 20 IIBD Cc1c(NC(=O)CCN2CCc3c(Br)ccc(F)c3C2)cccc1[N+](=O)[O-] 541699436 GIFIRAWZADEBEQ-UHFFFAOYSA-N 436.281 4.192 5 20 IIBD Cc1cnc([C@@H](C)CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)s1 542570912 URUGVCQPAFDFMI-ZFWWWQNUSA-N 425.514 4.461 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1nc(-c2ccccc2)cs1 542590680 NHAWKAGKSWHFKA-AWEZNQCLSA-N 426.498 4.406 5 20 IIBD O=C1[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCCN1Cc1ccccn1 543411916 CLSVWZVJKOUYEQ-FQEVSTJZSA-N 440.887 4.184 5 20 IIBD COc1ccccc1C1(c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)CC1 545006821 GDMNHVHSUJCXAJ-UHFFFAOYSA-N 430.258 4.420 5 20 IIBD COc1cc(Cc2noc(-c3sc(NC(=O)c4ccco4)cc3C)n2)ccc1[N+](=O)[O-] 545069112 RYDJHMFHCNOVLB-UHFFFAOYSA-N 440.437 4.459 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(-c3nc(-c4cccc(C(=O)N(C)C)c4)no3)cc2[N+](=O)[O-])C1 546281707 KZAGOBWENQNAOZ-HOTGVXAUSA-N 449.511 4.496 5 20 IIBD COc1cc(Cc2noc([C@@H]3CCCN(Cc4cccc(F)c4)C3)n2)ccc1[N+](=O)[O-] 546488538 HTHLTUTYUIVRJI-QGZVFWFLSA-N 426.448 4.096 5 20 IIBD CC(C)(C(=O)Nc1ccc(N2CCOCC2)c2ccncc12)c1ccc([N+](=O)[O-])cc1F 547240290 KNUITTXMWSGZKL-UHFFFAOYSA-N 438.459 4.035 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CC[C@H](C4CCOCC4)C3)n2CCc2ccccc2)c1 549119253 ZPUXHSCEOSLSMB-QFIPXVFZSA-N 447.539 4.349 5 20 IIBD COc1ccc(CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC2CCC2)c(OC)c1 549167353 UEHLHGZDHRPSBB-UHFFFAOYSA-N 438.484 4.464 5 20 IIBD CC(C)NS(=O)(=O)c1cccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c1 558931436 BRDTWWQICKAAJO-UHFFFAOYSA-N 445.566 4.300 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC(=O)Nc1cccc2ccccc12 559499756 KCHKDWULHANAQQ-UHFFFAOYSA-N 442.269 4.187 5 20 IIBD CC(C)Oc1ccc([C@@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)N(C)C)cc1 561653708 UNGQYOHDVVPDHK-HSZRJFAPSA-N 440.544 4.015 5 20 IIBD O=C(Nc1c(O)cc(Br)cc1Cl)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 570067243 QAAWKTRERGFLAR-UHFFFAOYSA-N 437.637 4.154 5 20 IIBD O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H](OCc2ccccc2F)C1 572388994 NXHIQPBELXEPOO-IBGZPJMESA-N 440.475 4.149 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])[C@@H](OC1CCOCC1)c1ccccc1 573029908 PJQKTZKVMMLAOU-QMHKHESXSA-N 439.512 4.224 5 20 IIBD CCOc1cc(C(=O)Nc2cnn(-c3ccc(Cl)cc3)c2C)c([N+](=O)[O-])cc1OC 573165512 FFLMOMKLTPURBR-UHFFFAOYSA-N 430.848 4.402 5 20 IIBD CCC[C@@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 579067603 MVKZGFKFUFOJMK-VGOFRKELSA-N 438.528 4.222 5 20 IIBD Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 580850463 QHXOPRKMSVVNKE-NSHDSACASA-N 430.814 4.329 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)CC(C)(C)CC(=O)O 590072775 HGGJICOTCCHZFG-UHFFFAOYSA-N 434.470 4.330 5 20 IIBD COc1ccc(-c2cnc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2C)cc1 590535131 UKTKIBOPYQLEMG-GFCCVEGCSA-N 430.848 4.063 5 20 IIBD COCCN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H](C)c1cccc(C(F)(F)F)c1 603530164 MAQBEWKBQHQXTM-LBPRGKRZSA-N 440.374 4.192 5 20 IIBD COc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1OCc1cccnc1 603598661 BUVVLWXEXJDOKU-UHFFFAOYSA-N 425.466 4.308 5 20 IIBD CCOc1cc(NC(=O)N(C)CC(=O)Nc2ccccc2CC)c([N+](=O)[O-])cc1OCC 603651651 XIPHHTRYYRMLPX-UHFFFAOYSA-N 444.488 4.057 5 20 IIBD COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c(OC)c1OC 603737608 SLJMFYRXPNMSDY-UHFFFAOYSA-N 438.436 4.343 5 20 IIBD O=C(Nc1ccc(N2CCc3sccc3C2)nc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 604469761 PXNLREFYJPFENH-UHFFFAOYSA-N 446.492 4.052 5 20 IIBD Cc1c(Cl)cccc1NC(=O)CSCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 609770955 UVOVBRLQEYJFPQ-UHFFFAOYSA-N 435.889 4.227 5 20 IIBD Cc1nccn1CCNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 609810691 NPXAJWDCOMJZPQ-UHFFFAOYSA-N 447.854 4.184 5 20 IIBD COc1ccc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cc1OC 609852704 ZYHPBSYYIKLTAU-UHFFFAOYSA-N 437.239 4.357 5 20 IIBD CCOC(=O)c1ccnc(NCc2cccc(C(=O)NCc3ccc(C)cc3)c2)c1[N+](=O)[O-] 609963796 ADBSQEHZMMOGCJ-UHFFFAOYSA-N 448.479 4.017 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OC3CCOCC3)c(C)c2)cc1SC 609980279 AGHWRBTULZRCOY-UHFFFAOYSA-N 432.498 4.444 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl 730965122 XBPMJPWWFWLQPP-UHFFFAOYSA-N 442.209 4.047 5 20 IIBD Cc1nn(Cc2ccc(C(=O)O[C@@H]3CCCc4ccccc4C3=O)cc2)c(C)c1[N+](=O)[O-] 731507722 HMLDPLLYQOSEOE-OAQYLSRUSA-N 433.464 4.201 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1ccccc1SC1CCCC1 731607469 HVRONIGODAVYNM-UHFFFAOYSA-N 430.482 4.468 5 20 IIBD CCOc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)ccc1OC 733939402 VLWWPBAUJMEMQC-UHFFFAOYSA-N 427.501 4.168 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 734787519 FBZSPTOJTZVUDT-YTTGMZPUSA-N 448.504 4.032 5 20 IIBD O=C(OCc1nc(O)c2ccc(C(F)(F)F)cc2n1)c1cc(Cl)cc([N+](=O)[O-])c1 736865631 GQIVNCNJAWNGPU-UHFFFAOYSA-N 427.722 4.273 5 20 IIBD COc1ccc(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 742051288 QHBPWJZBFXVSLP-GOSISDBHSA-N 426.469 4.154 5 20 IIBD O=C(C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1)OCc1ccc([N+](=O)[O-])cc1F 746959641 SQDIIZVBESVAGN-OAQYLSRUSA-N 438.411 4.044 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1F)C1(c2ccc(Br)cc2)CCOCC1 746974329 YFTNHJRGKYWNJA-UHFFFAOYSA-N 438.249 4.288 5 20 IIBD O=C(Nc1ccccc1C(=O)OCC[C@@H]1CCCC1=O)c1ccc([N+](=O)[O-])cc1Cl 748166464 AQZZHVCEEBAGMR-ZDUSSCGKSA-N 430.844 4.417 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F 748547513 RQTWJMAUERIFNU-APPDUMDISA-N 448.850 4.295 5 20 IIBD CC[C@@H](O)CCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 748552472 UMYZTXCWVRMWGK-JOCHJYFZSA-N 439.556 4.335 5 20 IIBD C[C@H](OC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 748910460 MWIMHXFURXFFMG-GOPGUHFVSA-N 433.258 4.031 5 20 IIBD CSc1ccc(C(=O)OCC(=O)Nc2ccc(N3CCCCCC3)cc2)cc1[N+](=O)[O-] 749128410 OEIBOVYBVGJPLF-UHFFFAOYSA-N 443.525 4.493 5 20 IIBD COCCN(Cc1ccccc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 749409625 FNKSQVVXLAXXBZ-UHFFFAOYSA-N 427.682 4.300 5 20 IIBD O=C(Nc1cccc(CN2CCCCC2=O)c1)c1cc([N+](=O)[O-])ccc1Br 751120794 FFZPKRPEPPDEDG-UHFFFAOYSA-N 432.274 4.122 5 20 IIBD O=C(NCc1csc(CCc2ccccc2)n1)c1cc([N+](=O)[O-])ccc1N1CCCC1 751440622 ZHNRXNMSIYWUOE-UHFFFAOYSA-N 436.537 4.367 5 20 IIBD Cc1cc(F)cc(C(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)c1[N+](=O)[O-] 753092532 CVOAUTSELDTJMG-UHFFFAOYSA-N 425.391 4.364 5 20 IIBD COc1cccc([C@@H](C)CC(=O)OC2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)c1 753419610 RLWZIRRKILEIQS-INIZCTEOSA-N 428.485 4.318 5 20 IIBD O=C(c1ccccc1)C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 754629537 JRZXAJHPSQAFQR-UHFFFAOYSA-N 435.249 4.232 5 20 IIBD CC[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)Oc1cccc(F)c1 755020812 GOGOEVKVKZMQCP-LBPRGKRZSA-N 429.217 4.223 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1Cc1ccccc1 755677987 IPJFOWMWJRJVEH-INIZCTEOSA-N 434.448 4.378 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1Cn1c(C)nc2ccccc21 755967394 MSUVNPKTJBMBMN-HNNXBMFYSA-N 448.932 4.068 5 20 IIBD CC(C)c1ccccc1NC(=O)COC(=O)Cc1ccc([N+](=O)[O-])cc1Br 756526612 KMYQILOTOLSSEP-UHFFFAOYSA-N 435.274 4.205 5 20 IIBD Cc1cc(F)cc(C(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)c1[N+](=O)[O-] 758413809 JSJHKRYYCQIVML-UHFFFAOYSA-N 428.464 4.109 5 20 IIBD CC[C@H](CC(F)(F)F)NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 760720582 XPHKFSKYBJRUML-LLVKDONJSA-N 442.360 4.176 5 20 IIBD CCOC(=O)c1nc(-c2ccccc2)oc1COC(=O)c1ccc([N+](=O)[O-])c2cccnc12 766219061 GPTZZNKTZIKXHZ-UHFFFAOYSA-N 447.403 4.332 5 20 IIBD Cc1cc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])c3cccnc23)ccc1Br 766233099 RPCWYCNJPBQDEA-UHFFFAOYSA-N 444.241 4.009 5 20 IIBD O=C(OCc1nc(-c2ccc(F)c(F)c2)no1)c1ccc(Br)c([N+](=O)[O-])c1 767968219 JMZWQOVRFOUYQG-UHFFFAOYSA-N 440.156 4.043 5 20 IIBD CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 769682820 WVTGEGPBODGZGV-SFHVURJKSA-N 428.876 4.052 5 20 IIBD C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 770373648 JNDSSLQKQDXISV-LSDHHAIUSA-N 432.546 4.453 5 20 IIBD Cn1cc([C@H](O)C[C@H]2CCCN2Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cn1 770392857 WMJHWKKYKKYFSQ-FOIQADDNSA-N 430.892 4.330 5 20 IIBD CCCN(C(=O)c1ccccc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(C)C 771522675 CGQGRHREPYUJAA-UHFFFAOYSA-N 435.484 4.293 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cnn(-c3cccc(Br)c3)c1C)CC2 773990952 QNPGWXFNBJXRLV-UHFFFAOYSA-N 441.285 4.363 5 20 IIBD C[C@H](NCC(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1)c1cccc([N+](=O)[O-])c1 775191321 GHVHEPUDADEGRP-ZWKOTPCHSA-N 446.507 4.375 5 20 IIBD CC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1Br 775669178 HAMPSLSYWVLQFZ-UHFFFAOYSA-N 433.667 4.014 5 20 IIBD CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776132511 FKAYEKICQYVILN-ZCYQVOJMSA-N 445.475 4.158 5 20 IIBD O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 776775222 QVQPNWNIQUQWHW-WMTXJRDZSA-N 430.508 4.434 5 20 IIBD COc1ccc2[nH]cc(C3=CCN(C(=O)C(F)(F)c4ccc([N+](=O)[O-])cc4)CC3)c2c1 778235294 ONUQVWUJQRCQGZ-UHFFFAOYSA-N 427.407 4.492 5 20 IIBD Cc1cc(Br)ccc1CC(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 778903542 XQRGBNOVWKPADU-UHFFFAOYSA-N 432.230 4.002 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1=CCN(C(=O)OC(C)(C)C)CC1 779676710 IZIFEDRKNLJSLA-UHFFFAOYSA-N 432.521 4.082 5 20 IIBD COc1ccc(C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)nc1Br 781592986 LHKLNZHRPJBPOX-UHFFFAOYSA-N 449.286 4.445 5 20 IIBD COc1ccccc1-c1csc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 781616149 FIFXVYHAOMUNCL-UHFFFAOYSA-N 428.426 4.206 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(-n2nccc2C(F)(F)F)cc1 781626817 MAMKLAUHHOFLRJ-UHFFFAOYSA-N 449.345 4.279 5 20 IIBD O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 782171590 AGXCWIPMLDECSC-ZDUSSCGKSA-N 435.249 4.232 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 783032941 OXCUIHIKUKBQHI-DLBZAZTESA-N 432.521 4.105 5 20 IIBD O=[N+]([O-])c1ccc([C@H](O)CN(Cc2cccc(Br)c2)C2CCOCC2)cc1 786440046 DRGBLBHHHHKNLQ-HXUWFJFHSA-N 435.318 4.072 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1cc(Cl)ccc1C(=O)N1CCCC1 790821543 IYHNYNVUMJGWCW-UHFFFAOYSA-N 440.258 4.458 5 20 IIBD CCO[C@@H](C)c1ncc(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)s1 791175249 YFECWHVISVRRFQ-JTQLQIEISA-N 440.319 4.110 5 20 IIBD Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 791671704 RJKWOLXICSYKNX-UHFFFAOYSA-N 448.794 4.206 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(CC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)nc1 791682129 YWZRODNUXYJNER-UHFFFAOYSA-N 426.473 4.071 5 20 IIBD C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 793598347 NWYKKHICKJXUEG-KUHUBIRLSA-N 447.417 4.292 5 20 IIBD Cc1coc(-c2ccc(C)c(NS(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)c2)n1 795336351 RJQJMWWSAXPGQT-UHFFFAOYSA-N 425.825 4.460 5 20 IIBD Cc1cnc(COC(=O)c2cc(F)c(F)cc2C(=O)c2ccccc2)c(C)c1[N+](=O)[O-] 796888062 SPHWVBLTUDDCRX-UHFFFAOYSA-N 426.375 4.473 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 800376829 HQTZLMZNTAGRPZ-RBUKOAKNSA-N 445.903 4.381 5 20 IIBD C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(N2CCc3ccccc32)CC1 800406614 NCDNYBXYOAFCJX-HNNXBMFYSA-N 428.920 4.102 5 20 IIBD COc1cc(C(=O)OCc2c(F)cc([N+](=O)[O-])cc2F)ccc1OCc1cscn1 803272837 GUEXXUIZKPDJLL-UHFFFAOYSA-N 436.392 4.274 5 20 IIBD C[C@H](C(=O)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])n1ccc2ccccc2c1=O 805910600 VHUFROMUKHWGSE-OPAMFIHVSA-N 429.432 4.199 5 20 IIBD CN(CC(=O)N(Cc1ccco1)c1ccccn1)c1cc(Br)ccc1[N+](=O)[O-] 808244408 YMGDLQDKJKAWJD-UHFFFAOYSA-N 445.273 4.015 5 20 IIBD Cc1nc(SC(F)F)sc1Cc1nc(CCNc2ccccc2[N+](=O)[O-])no1 809389113 QYAMSWAFZXPZJA-UHFFFAOYSA-N 427.458 4.303 5 20 IIBD CC(C)(C)OC(=O)c1cccc(N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)n1 814890166 JFLXCIYKJQHXBN-UHFFFAOYSA-N 434.290 4.270 5 20 IIBD CC(=O)N(c1ccc(Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])cc1)[C@@H]1C[C@@H]1C 814943414 GANHJHUHTFWGMI-APPDUMDISA-N 439.440 4.096 5 20 IIBD Cc1cc(Cl)c(C(=O)O[C@H](C(=O)N[C@@H]2CCOc3ccccc32)C(C)C)cc1[N+](=O)[O-] 815405904 NJVHWUUSJYDCST-XLIONFOSSA-N 446.887 4.378 5 20 IIBD O=C(CCc1nc(-c2ccco2)no1)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 824013856 IDCWXIKCNODUSG-UHFFFAOYSA-N 448.391 4.028 5 20 IIBD COc1ccc(CN(C)C(=O)[C@@H](C)OC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1F 877884663 WOQGHZROXYOEJM-CQSZACIVSA-N 446.475 4.244 5 20 IIBD C[C@H](OC(=O)c1cccn1Cc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 900468342 GCGBGHVTVZOJPL-AWEZNQCLSA-N 427.844 4.282 5 20 IIBD CCOc1ccc(-c2noc(COC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)cc1 913229740 LLCUFFSSADHMCB-ZDUSSCGKSA-N 429.454 4.268 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)Oc1ccc(Br)cc1Br 914707811 QVPABXPBJSJBQZ-UHFFFAOYSA-N 431.036 4.104 5 20 IIBD O=C(Nc1cccc(C2SCCS2)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 915332027 ZEXMUCAQIGAHFO-UHFFFAOYSA-N 430.555 4.428 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccccc1)c1ccccc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 915467877 FCVWELZWUDRXLY-JOCHJYFZSA-N 442.431 4.317 5 20 IIBD Cc1ccc(-c2csc(NC(=O)C3=NN(Cc4ccccc4)C(=O)CC3)n2)cc1[N+](=O)[O-] 915834592 XMSBWHHCWZAPRD-UHFFFAOYSA-N 449.492 4.144 5 20 IIBD O=[N+]([O-])c1cccc(-c2ncn(CN3CCC[C@H]3c3cccc(Br)c3)n2)c1 917484192 WTEKXVQJYZNFML-SFHVURJKSA-N 428.290 4.410 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)OCc2cccc(C(=O)NCc3ccco3)c2)c1 917967419 HBSWUJIHOIQDLE-UHFFFAOYSA-N 426.450 4.197 5 20 IIBD O=C(Nc1ccc(N2CCOC2=O)cc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 918386644 IPFQFGMOGJNZRY-UHFFFAOYSA-N 432.436 4.416 5 20 IIBD C[C@@H](OC(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 919442747 FHBLWHILVZYMFC-GHMZBOCLSA-N 427.240 4.239 5 20 IIBD CCC(C)(C)NC(=O)[C@H](C)OC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 920543625 FRKKJMNUYVFIKO-GJZGRUSLSA-N 428.489 4.013 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@H]2c2nnc(-c3ccccc3Cl)o2)cc1 1118129140 NHSDMFHGHOPEAY-KRWDZBQOSA-N 448.888 4.214 5 20 IIBD Nc1c(C(=O)Nc2ccc(OCC(F)(F)F)cc2)cc(Br)cc1[N+](=O)[O-] 1321439572 MHZAHSHEGSPXCB-UHFFFAOYSA-N 434.168 4.133 5 20 IIBD CNc1ccc(-c2nc([C@H](NC(=O)OC(C)(C)C)c3ccccc3)no2)cc1[N+](=O)[O-] 1322830600 ALJNSKSNNWELLE-QGZVFWFLSA-N 425.445 4.301 5 20 IIBD CC(C)n1ncc2c1[C@@H](NC(=O)N1CCC(Oc3ccc([N+](=O)[O-])cc3)CC1)CCC2 1325554861 WSNKUVPZCCOODQ-FQEVSTJZSA-N 427.505 4.003 5 20 IIBD O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1csc(Cc2ccc(Cl)cc2)n1 1326328199 OEPJZLDCELNDBY-UHFFFAOYSA-N 440.872 4.333 5 20 IIBD CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc([N+](=O)[O-])cc5c4OCC5)CCC3)cc2)CCC1 1785812226 HUCJXUNEVDPPCP-UHFFFAOYSA-N 449.507 4.468 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1)c1ccc(O)c(F)c1 1790650588 QDDBTPCOCCGQCT-UHFFFAOYSA-N 439.399 4.094 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3n[nH]cc3[N+](=O)[O-])CCC2)cc1)c1ccc(C2CC2)cc1 1790784157 JGXGYPWKRLWIIQ-UHFFFAOYSA-N 445.479 4.257 5 20 IIBD Cc1ccc(-c2ccccc2C(=O)N2CC3(CCCN3C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)cc1 1844829454 WIOIKKPRQYJVMO-UHFFFAOYSA-N 444.491 4.029 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCN(c2ccccc2Cl)CC1 9861251 QZLHDVOSQCYLKP-UHFFFAOYSA-N 431.923 4.157 5 20 IIBD Cc1cc(OCC(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1Cl 11165712 QUIXKTGCJIVDAJ-LLVKDONJSA-N 427.240 4.159 5 20 IIBD Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 11376126 HNKMNHRWPAVBIV-UHFFFAOYSA-N 429.908 4.046 5 20 IIBD O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cc2cc([N+](=O)[O-])ccc2s1 12695566 HSZVAPBQDZTQGM-UHFFFAOYSA-N 445.522 4.236 5 20 IIBD CCOC(=O)c1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2C(C)C)cc([N+](=O)[O-])c1 17008446 OFHWGDGQOUVNPW-AWEZNQCLSA-N 428.441 4.079 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 18017710 RSAWCNWZKOUKKY-UHFFFAOYSA-N 433.392 4.100 5 20 IIBD Cc1nc(-c2cccc(NC(=O)c3nn(-c4ccccc4[N+](=O)[O-])c(C)cc3=O)c2)cs1 21900851 RHRFZXMQQNXLSP-UHFFFAOYSA-N 447.476 4.133 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)C(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 28300630 FGKPZJLBXDMBRT-UHFFFAOYSA-N 434.448 4.307 5 20 IIBD C[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccc(OCc2cccnc2)cc1 32252695 CQOCJLZZVIRLKO-KRWDZBQOSA-N 443.463 4.246 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3ccc4c(c3)C(=O)NC4)cc2[N+](=O)[O-])n1 58747496 SFKGATHKWFOKJX-UHFFFAOYSA-N 426.479 4.007 5 20 IIBD CC(C)N(CCS(=O)(=O)c1ccc(Br)cc1)Cc1ccc([N+](=O)[O-])cc1 64350341 BDXOGFPCQAPVLW-UHFFFAOYSA-N 441.347 4.042 5 20 IIBD CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 64895870 PILNMDNHYBEIAW-UHFFFAOYSA-N 449.492 4.006 5 20 IIBD COc1ccc(CNC[C@H]2CCCN(C(C)C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 237202333 BTFQICBOQCUIJV-OAQYLSRUSA-N 427.545 4.392 5 20 IIBD CC(C)n1c([C@H]2CCCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C2)nc2ccccc21 303584833 SEBZVSIHIMMOMO-AWEZNQCLSA-N 425.464 4.267 5 20 IIBD COc1ccc(OC)c([C@H]2C[C@H]2C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)c1 409544606 LNWCGRQOWKGOSB-NVXWUHKLSA-N 438.402 4.307 5 20 IIBD Cc1ccc([C@H](C)N2C(=O)[C@H](c3cccc(Br)c3)N(C)C2=O)cc1[N+](=O)[O-] 431955411 VCOLDINMRRGWGD-SJCJKPOMSA-N 432.274 4.362 5 20 IIBD Cc1cc2c(N3CCC[C@H]3C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)ncnc2s1 432650244 AICLXQVJRVMBGK-AWEZNQCLSA-N 449.439 4.117 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N(CC2CCC2)[C@H](C)CO)cc1[N+](=O)[O-] 435850905 JCSHCTDDARGKAJ-OAHLLOKOSA-N 442.537 4.171 5 20 IIBD COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 438007215 AUXGDVVDVHJUGA-QGZVFWFLSA-N 444.919 4.210 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1ccccc1N1CCCCCC1 438657494 VPVDTEGBVYRMNN-UHFFFAOYSA-N 438.528 4.351 5 20 IIBD CCOC(=O)c1ccccc1N(CC)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 438771030 AIHJXKFTCJNMMK-UHFFFAOYSA-N 447.296 4.294 5 20 IIBD CS(=O)(=O)c1cc(C(=O)N2CCCCC[C@@H]2/C=C\c2ccccc2)cc([N+](=O)[O-])c1 440876380 HPONYIGKQIIOBX-YAINUAMHSA-N 428.510 4.097 5 20 IIBD CCN(c1ccc(Cl)cc1F)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 442247450 WMRSBIPKWCVYRB-UHFFFAOYSA-N 437.674 4.365 5 20 IIBD COc1cc(OCc2nc(C3(c4cccc(Br)c4)CC3)no2)ccc1[N+](=O)[O-] 442681354 IDYZWUUKPZVCNB-UHFFFAOYSA-N 446.257 4.408 5 20 IIBD C[C@@H](c1nc(-c2cccs2)no1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 443193527 WDOGLCDIOUBFAO-QMMMGPOBSA-N 444.288 4.004 5 20 IIBD O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CC[C@@H](OCCN2CCCC2)C1 443799737 CVDXXDWJBHWUBM-HXUWFJFHSA-N 441.553 4.073 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cc(NC(=O)C(C)C)ccc3Cl)n2)c1 445579825 NFRSVWJOTIOFQB-UHFFFAOYSA-N 430.848 4.492 5 20 IIBD CC(C)(c1noc(-c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)n1)c1ccc(Cl)cc1F 445590710 DLUDGGLMIXGKJJ-UHFFFAOYSA-N 439.852 4.167 5 20 IIBD COc1cc2nc(C)sc2cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 447011772 WTHRSMUDWWBRFV-UHFFFAOYSA-N 447.416 4.341 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cc([C@H]3CCCO3)nn2C)cc1 447653276 LDUNSPBZYJOQDR-HXUWFJFHSA-N 438.440 4.233 5 20 IIBD Cc1ccc([C@]2(C)CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)C2)cc1 447690307 CIHZYTHGAOIIEK-WIOPSUGQSA-N 435.524 4.006 5 20 IIBD C[C@H](c1cnn(C)c1)N(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CCc1ccccc1 460412515 NFQFVASNWHKFTM-QGZVFWFLSA-N 431.500 4.027 5 20 IIBD O=[N+]([O-])c1cccc(CN(c2nnc([C@@H]3CCOC3)n2CCc2ccccc2)C2CC2)c1 460426383 JWLGVTUIVNFVAE-HXUWFJFHSA-N 433.512 4.102 5 20 IIBD O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 461338153 GBPHMWBRUWTMQJ-VDZJLULYSA-N 443.525 4.094 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(N3CCc4ccc(Cl)cc4C3)n2C[C@@H]2CCOC2)cc1 461642891 XQOYWYLZCFAOLS-HNNXBMFYSA-N 439.903 4.106 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 462484263 QURJCGWLGWDCFC-OAHLLOKOSA-N 428.876 4.226 5 20 IIBD C[C@@H]1CCN(CCOc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Br)cc2)C1 465196721 WUUYIZADRWXVJT-CQSZACIVSA-N 448.317 4.330 5 20 IIBD O=C(Nc1ccccc1CCC(F)(F)F)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 465482466 SWLZCHIYHSADIR-AWEZNQCLSA-N 441.431 4.395 5 20 IIBD CCCNc1ccc(C(F)(F)F)cc1NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 469255132 XTPFCPYSBCYFMQ-UHFFFAOYSA-N 445.419 4.091 5 20 IIBD COc1cccc([C@@H](NC(=O)c2cc(OC)ccc2[N+](=O)[O-])c2cc(F)ccc2OC)c1 471458164 CVEATSHKOKQMNO-JOCHJYFZSA-N 440.427 4.279 5 20 IIBD CC(C)(C)C1CCC(c2cc(NC(=O)C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)n[nH]2)CC1 472685837 JYLAPPVYXMIQRU-UHFFFAOYSA-N 431.468 4.354 5 20 IIBD O=C(O)CCc1cccc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c1 473957041 FDTTXTYYTRRENK-UHFFFAOYSA-N 449.250 4.357 5 20 IIBD O=C(c1ccc(C(=O)N2CC(C3CCCC3)C2)c([N+](=O)[O-])c1)N1CC(C2CCCC2)C1 477917381 NWKUAZYSIFHGEX-UHFFFAOYSA-N 425.529 4.119 5 20 IIBD CSc1ccc(C(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc1[N+](=O)[O-] 478458535 WRBCBXVXRACNHE-ZDUSSCGKSA-N 434.823 4.452 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C 481978432 DMNQEYJVUZCAPU-QGZVFWFLSA-N 445.541 4.335 5 20 IIBD COc1ccc([C@@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C(F)(F)F)cc1 482364408 QQFSPROPMNMIFR-MRXNPFEDSA-N 431.798 4.402 5 20 IIBD CCOC(=O)c1csc([C@H]2CCCN2C(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)n1 482946508 LFTDKPMJKXACHS-MAUKXSAKSA-N 431.514 4.160 5 20 IIBD CCO[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)[C@H]1Oc1ccccc1 483960849 UQBWTXPNQSLGRX-SFHLNBCPSA-N 430.526 4.450 5 20 IIBD CNC(=O)c1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c(Cl)c1 486330972 WWBUESOCOVBQRO-UHFFFAOYSA-N 439.855 4.439 5 20 IIBD CCC(CC)N(CCOC)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 486754721 UTUVQYXCCQLJGS-UHFFFAOYSA-N 445.482 4.494 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)NCC2(N[C@H](C)c3ccccc3)CCOCC2)cc1[N+](=O)[O-] 489567493 WZYYFBRGNJSTKD-RTBURBONSA-N 440.544 4.163 5 20 IIBD O=C(CN(Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 490026383 NEJSOHJDNQTAGE-UHFFFAOYSA-N 433.390 4.093 5 20 IIBD CO[C@@H]1CCN([C@@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c2ccccc2)C1 494883484 QOMNPLQEKKCCFH-UYAOXDASSA-N 438.509 4.119 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N(C)[C@H](C)C3CCN(C)CC3)cc2[N+](=O)[O-])n1 495333096 BRQJMHYYPQJEMV-CQSZACIVSA-N 434.587 4.313 5 20 IIBD Cc1csc(Sc2ccc(NS(=O)(=O)CCc3ccccc3[N+](=O)[O-])cc2)n1 499159973 VVFCGPFXVBGZQZ-UHFFFAOYSA-N 435.552 4.495 5 20 IIBD CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 505425344 PKLNFICRPNTNCV-UHFFFAOYSA-N 449.294 4.161 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(C(=O)c2ccccc2F)CC1 505748376 VYXNLULJTKIKGU-UHFFFAOYSA-N 445.516 4.224 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1 505753080 NNDQCYASEBCKBX-UHFFFAOYSA-N 445.516 4.224 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1cccc(Cl)c1Oc1cccnc1)c1cccc([N+](=O)[O-])c1 506526012 KXGKTNWYQGFRSO-CYBMUJFWSA-N 440.843 4.251 5 20 IIBD O=C(NCCc1ccn(-c2ccccc2)n1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 509158623 XWYLOADYGWNQJU-UHFFFAOYSA-N 441.491 4.365 5 20 IIBD CCCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2I)c1 511156916 CJKAUWDNWFCCMD-UHFFFAOYSA-N 426.210 4.241 5 20 IIBD Cn1cccc(NC(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)c1=O 511492444 RUGOAEKJARTLPH-DTQAZKPQSA-N 446.488 4.473 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 511611685 SFWSULNARKPEDS-LJQANCHMSA-N 439.390 4.181 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N1CCc2ccc(Cl)cc21 512074266 PXLFZZKXTZCRMT-UHFFFAOYSA-N 428.613 4.056 5 20 IIBD COC(=O)c1cc(CN(C)C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)oc1C 512646114 TVZOCFULARKJQT-HUUCEWRRSA-N 443.500 4.037 5 20 IIBD CS(=O)(=O)C1(CNCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCCC1 512971994 PHHHMCKSIZROBN-UHFFFAOYSA-N 438.933 4.488 5 20 IIBD CC(C)Sc1c(Cl)cccc1NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 513435100 RXJDDZQWMYZPJY-UHFFFAOYSA-N 428.919 4.405 5 20 IIBD Cn1ccnc1[C@H](NCc1ccc(NC(=O)c2ccco2)cc1)c1cccc([N+](=O)[O-])c1 513708806 XSVXTHWYGALJAT-OAQYLSRUSA-N 431.452 4.053 5 20 IIBD COC[C@@H](NCc1cc(I)cc([N+](=O)[O-])c1)c1cccc(Cl)c1 514892965 JQZBIPQPOIBYGS-MRXNPFEDSA-N 446.672 4.330 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CCO3)c1 515731229 MMIQDOULTGABAQ-UHFFFAOYSA-N 429.498 4.341 5 20 IIBD C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccccc2n1C(F)F 515741924 KZYXZHMCWVGUFE-VIFPVBQESA-N 430.820 4.033 5 20 IIBD Cc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1 516772185 OHCUQCXAXRGIRM-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD Cc1ccc(C(=O)c2ccccc2C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 517402830 GFNIZUQUOZHJNM-UHFFFAOYSA-N 429.476 4.097 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CCC[C@H](c2nc3ccccc3s2)C1 517705091 OFVUTYMOUJBMPU-ZDUSSCGKSA-N 434.477 4.478 5 20 IIBD C[C@@H](NC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1)c1cccc([N+](=O)[O-])c1 517809802 VDACPDDJVKAYOY-ACJLOTCBSA-N 434.290 4.201 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](NC[C@@H]1CCCCO1)c1ccccc1 520519972 AJIJXZDNDYRHEB-LPHOPBHVSA-N 448.317 4.196 5 20 IIBD O=C(Nc1ccccc1)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 520913242 KADGIQSUTRJETH-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)Cn1cc([N+](=O)[O-])cn1 521290626 KULHPSKPSMICRN-UHFFFAOYSA-N 447.373 4.010 5 20 IIBD CCOC(=O)c1ccnc(Sc2nnc(-c3ccc(Cl)cc3)n2CC)c1[N+](=O)[O-] 523111872 YJMXCFOOVRXVEU-UHFFFAOYSA-N 433.877 4.250 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N(Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@@H](C)[C@@H]1C 523414892 OKAKGVSHPUGTHW-JTDSTZFVSA-N 442.516 4.072 5 20 IIBD CCOC(=O)c1ccnc(Sc2nnc(-c3ccco3)n2-c2ccccc2)c1[N+](=O)[O-] 524104545 AFCYBVUMGGRSIW-UHFFFAOYSA-N 437.437 4.158 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)N2CCCC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)c1 530441256 JFVWPVCPHYBOSC-LJQANCHMSA-N 430.461 4.040 5 20 IIBD COC(=O)CC1(NCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCOCC1 531530975 APDVTTJBBHOJRG-UHFFFAOYSA-N 434.876 4.242 5 20 IIBD COc1cc([C@H](C)NC(=O)c2cc(C(=O)O)cc([N+](=O)[O-])c2)ccc1OC1CCCC1 531739570 LXWKXBCBLLYFGG-ZDUSSCGKSA-N 428.441 4.114 5 20 IIBD Cc1nc(C)c([C@@H](C)N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)s1 532552471 QCCLELXFHSKLKX-SNVBAGLBSA-N 427.324 4.062 5 20 IIBD CCOC(=O)c1cc2cc(NC(=O)c3cc(O)nc4ccc([N+](=O)[O-])cc34)ccc2s1 532823754 PHTDWOBOHRTLNW-UHFFFAOYSA-N 437.433 4.492 5 20 IIBD Cc1ccc(Cn2cccc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2=O)cc1 533600366 WLLFUQPYNSMNBK-UHFFFAOYSA-N 431.370 4.384 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1cccc2c1CN(c1nccs1)C2 533902121 NUWFVSYZZKKPBW-UHFFFAOYSA-N 436.902 4.026 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 533934419 KZPCZJWJOJWLMM-DVECYGJZSA-N 432.524 4.132 5 20 IIBD COc1cc(C(=O)N2CC=C(C(C)(C)C)CC2)c([N+](=O)[O-])cc1OCc1cscn1 534105732 KAZCOISJTDVKKH-UHFFFAOYSA-N 431.514 4.457 5 20 IIBD NC(=O)c1ccc(NCc2ccccc2)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c1 535203059 YPEPWGGWEJJAGI-UHFFFAOYSA-N 438.871 4.140 5 20 IIBD O=C(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)N1N=C(c2ccco2)C[C@@H]1c1cccs1 537556564 UUHBFJJSXVENDT-LJQANCHMSA-N 447.476 4.491 5 20 IIBD COc1cc(CN2CC[C@H](CN3CCCC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 537616298 NFWUPNOSLSUYMQ-HXUWFJFHSA-N 425.529 4.100 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCO[C@H](C)C2)nc1 538534417 HBQFGOCOBVALLW-MRXNPFEDSA-N 444.557 4.037 5 20 IIBD CCOc1cc(CN2CCc3ccsc3C2)ccc1OCCn1c([N+](=O)[O-])cnc1C 538735760 AFOJLKHWWCDXOA-UHFFFAOYSA-N 442.541 4.197 5 20 IIBD C[C@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(OCc2cccnc2)cc1 540325239 FOBVMXWXLUQZBT-INIZCTEOSA-N 431.452 4.470 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O 540763103 AKEJTHGIACMQMU-MRXNPFEDSA-N 437.880 4.035 5 20 IIBD CS(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1 541268206 CRLFFCWQRIWWAW-UHFFFAOYSA-N 435.310 4.036 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2cccc(NS(=O)(=O)c3cccs3)c2)n1 544767647 BRYBIKNIVNHHTO-UHFFFAOYSA-N 442.478 4.483 5 20 IIBD CCO[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)[C@@]12CCCO2 546054217 RSADRULCMQVERN-VWPQPMDRSA-N 434.558 4.334 5 20 IIBD O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 546745509 BPSCXLYHXGUFNY-UHFFFAOYSA-N 448.310 4.059 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCCC4(CCOCC4)C3)n2Cc2cccs2)c1 549958602 RFJNBQJRPJTXOD-UHFFFAOYSA-N 439.541 4.360 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](Oc2ccccc2OC)C1 553258680 BKZYDCYKVCTZGH-QGZVFWFLSA-N 446.525 4.026 5 20 IIBD O=C(Nc1ccccc1OC(F)F)c1cc(I)cc([N+](=O)[O-])c1 556709031 FWXUPRCWRYESCJ-UHFFFAOYSA-N 434.136 4.053 5 20 IIBD C[C@@H](NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1ccc2n[nH]cc2c1 557147129 ZZLUEVLKDCDRTC-SNVBAGLBSA-N 445.266 4.455 5 20 IIBD Cc1cccc(NC(=O)Cc2noc(-c3cc([N+](=O)[O-])cc(Br)c3C)n2)c1 568027325 OCJRCNSPRDSXFT-UHFFFAOYSA-N 431.246 4.205 5 20 IIBD CCOc1ccc(NC(=O)CNc2ccccc2O[C@@H](C)C(F)(F)F)c([N+](=O)[O-])c1 577797830 OQFFTOLXLYEJJB-LBPRGKRZSA-N 427.379 4.374 5 20 IIBD COc1ccc([C@@H](Cc2ccccc2)NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 578726545 WVAOGRWMOVERDK-OAQYLSRUSA-N 448.475 4.017 5 20 IIBD O=C1CC[C@H](c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)c2ccccc21 579039699 QAGKHZRSJGHYGY-HNNXBMFYSA-N 428.242 4.440 5 20 IIBD C[C@@H]1C[C@H](CCN[C@H](c2ccc([N+](=O)[O-])cc2)c2nccn2C)CN1Cc1ccccc1 584069023 HEZJZFUKEJOGSU-NHCICSSKSA-N 433.556 4.308 5 20 IIBD O=C(Nc1ccc(Br)cc1O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 604104555 ULIQGEDWFMIBNM-UHFFFAOYSA-N 435.152 4.256 5 20 IIBD CC(C)(C)c1ccc(-c2n[nH]c(NC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)n2)cc1 604474456 VVHPYWOEYYERFG-UHFFFAOYSA-N 431.456 4.115 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CCCc1cc(-c2ccc(F)cc2)no1 608780208 LJIRILWUHZGVAY-UHFFFAOYSA-N 426.448 4.200 5 20 IIBD Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n(-c2cccc(C(F)(F)F)c2)n1 608927705 HSVCDPRWRDFWRX-UHFFFAOYSA-N 440.403 4.217 5 20 IIBD COC(=O)c1cc(C(=O)N(Cc2ccc3c(c2)OCO3)C2(C)CCCC2)cc([N+](=O)[O-])c1 609151754 DUDMMMYDXAKJED-UHFFFAOYSA-N 440.452 4.085 5 20 IIBD COc1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1NC(=O)C1CCCCC1 609698173 ZBFJWWMVBSNFCC-UHFFFAOYSA-N 441.440 4.103 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1cccc(-c2ccc3c(c2)CCO3)n1 610032507 IYJCLPUKDNSNEG-UHFFFAOYSA-N 431.857 4.046 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(COCc2ccccc2)cc1 610201171 GZNHCCYTPOTNMX-QGZVFWFLSA-N 433.464 4.069 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(N3CCc4sccc4C3)nc2)c1C 610796475 OYUJVNGCUGYVQS-UHFFFAOYSA-N 444.538 4.032 5 20 IIBD CCOc1ccc(-c2nc(COc3ccc(C(=O)OC)c([N+](=O)[O-])c3)cs2)cc1OC 613110685 UJSIZLZEKKGZOW-UHFFFAOYSA-N 444.465 4.491 5 20 IIBD CCOc1ccc2c(c1)[C@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])CCO2 618394517 NBADGADORDOGRD-LLVKDONJSA-N 427.276 4.071 5 20 IIBD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCCOc2ncc(C(F)(F)F)cc2Cl)n1 618571965 ZVYSELRCQRQVBL-ZIAGYGMSSA-N 433.818 4.011 5 20 IIBD Cc1cc(C)c2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(Br)c3)sc2c1 727243214 WNFOFFLNLADUGT-UHFFFAOYSA-N 442.316 4.385 5 20 IIBD Cc1n[nH]cc1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 728190602 KMVDIRGOEBKYKL-UHFFFAOYSA-N 433.512 4.015 5 20 IIBD Cc1cc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 729185558 RUXKBFFXIWWDAJ-MRXNPFEDSA-N 427.505 4.053 5 20 IIBD Cc1ccccc1CN(C(=O)c1ccc(I)c([N+](=O)[O-])c1)C1CC1 730476228 WKABESILOLVIMU-UHFFFAOYSA-N 436.249 4.313 5 20 IIBD CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)OCc1cc(F)ccc1[N+](=O)[O-] 730487561 WMFPQWHSRPIDCX-ZDUSSCGKSA-N 441.502 4.142 5 20 IIBD C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C[C@H](C)N1C(=O)OC(C)(C)C 733117505 NILIEIPIRNOTBW-IRXDYDNUSA-N 446.548 4.055 5 20 IIBD Cc1ccc(C[C@@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccn2)cc1 734682527 BWOVVUOZGBMNOZ-XMMPIXPASA-N 445.523 4.114 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C 736004733 QPLJYMIDQUKDKL-QGZVFWFLSA-N 449.891 4.253 5 20 IIBD C[C@@H](OC(=O)Cc1csc(-c2ccoc2)n1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 738851904 VMOKNSBNNNUGRH-SNVBAGLBSA-N 435.845 4.078 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@@H]3C[C@H]3c3c(F)cccc3F)CC2)ccc1[N+](=O)[O-] 739386818 YQUDSMLICBURCG-HZPDHXFCSA-N 432.423 4.197 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1OCCC(C)C 739661419 RDCLWTSGQUSPFA-UHFFFAOYSA-N 427.501 4.417 5 20 IIBD CC[C@@H](NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])c1cc(F)ccc1F 740897095 LXHWEWNWSTXUBW-CYBMUJFWSA-N 435.246 4.065 5 20 IIBD CN(CC1(c2ccc(Br)cc2)CC1)C(=O)c1cc([N+](=O)[O-])ccc1N(C)C 741199825 HNDLIDSRJJWYKU-UHFFFAOYSA-N 432.318 4.227 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[C@H](SC)C1 742421694 QOPVAGAKJMJSPG-HIFRSBDPSA-N 437.543 4.100 5 20 IIBD CCC(C)(C)NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(C)cs1 744500947 XJSOCTKULJKHNJ-GFCCVEGCSA-N 437.543 4.361 5 20 IIBD C[C@@H](OC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C(=O)N[C@H](C)c1cccc2ccccc12 746607761 PWNCUPACISVPDY-HUUCEWRRSA-N 440.427 4.075 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1 747106799 DPTWLYPOZCDKFG-UHFFFAOYSA-N 426.376 4.099 5 20 IIBD COc1ccc2oc([C@H](C)Nc3ccc([N+](=O)[O-])cc3S(=O)(=O)N(C)OC)c(C)c2c1 748276642 TXKOIYWREBQPCV-ZDUSSCGKSA-N 449.485 4.013 5 20 IIBD Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)cc2)n1 748351647 SAHFAAZMHMTSBN-INIZCTEOSA-N 437.456 4.413 5 20 IIBD CC(C)[C@@H](CCN(C)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)NC(=O)OC(C)(C)C 749284749 RHDSCQFPIVGGHC-LJQANCHMSA-N 448.564 4.206 5 20 IIBD COc1ccc(C(=O)COC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1Cl 750963316 CZKMMXZDXDGXBH-UHFFFAOYSA-N 428.622 4.059 5 20 IIBD Cc1cc(Br)cc([N+](=O)[O-])c1OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 753833870 NQPUGPVKGRKJDB-UHFFFAOYSA-N 444.625 4.245 5 20 IIBD Cn1ccnc1[C@@H](CCc1ccccc1)OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 754743307 XXIMEGAHVNKOAT-OAQYLSRUSA-N 431.452 4.045 5 20 IIBD CCOc1cc(COC(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@@H](C)CC)ccc1[N+](=O)[O-] 755550128 UVQJHGKOPBBFQU-HRAATJIYSA-N 440.496 4.036 5 20 IIBD CC[C@@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@@H]1NC(=O)OC(C)(C)C 757871675 RYGFZSSUODQTAJ-DOMZBBRYSA-N 426.901 4.405 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2cncc(-c3ccc(C)cc3)c2)c([N+](=O)[O-])c1 758085699 ACIOZEPZSJHTQK-UHFFFAOYSA-N 435.436 4.159 5 20 IIBD COc1cc(OCC(=O)OCc2cc(Br)cc3cccnc23)ccc1[N+](=O)[O-] 759882228 GDFHAGIWRBZOBT-UHFFFAOYSA-N 447.241 4.036 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@H](C)c2noc(Cc3ccccc3)n2)CC1 760598496 XLTNERNVJZBHFN-QGZVFWFLSA-N 449.511 4.296 5 20 IIBD NC(=O)N[C@@H](Cc1nc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)no1)c1ccccc1 761859241 UASRCWMPZZVOMO-FQEVSTJZSA-N 445.435 4.389 5 20 IIBD O=C(COC(=O)c1cc(Cl)cc(Cl)n1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 762931646 RZLXWWWZZSPSCR-UHFFFAOYSA-N 438.145 4.111 5 20 IIBD CCOc1ccc([C@@H]2CCCN2C(=O)COC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 763409433 ZXYWTTACNDLVOC-IERDGZPVSA-N 426.469 4.004 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2c(Cl)cc(F)cc2Cl)c([N+](=O)[O-])c1 763544032 KYRVXFJCOPEDIG-MRVPVSSYSA-N 431.203 4.233 5 20 IIBD O=C(O[C@@H]1CCO[C@@H](C2CCOCC2)C1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 765638132 HCTNVIJRVFUYJN-NFBKMPQASA-N 440.496 4.338 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 766225325 LSDMZEWXWFYFJM-LLVKDONJSA-N 435.352 4.019 5 20 IIBD CN(C[C@@H]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C 769334208 OEZKSSNUPQIYGO-ZDUSSCGKSA-N 428.327 4.046 5 20 IIBD C[C@@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCCCC2)cc1 770083130 SRHOGTYYLIIYCI-MRXNPFEDSA-N 443.525 4.248 5 20 IIBD C[C@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H](O)c1c(Cl)cccc1Cl 771715401 JMSQWJXPNMDNAR-JEOXALJRSA-N 449.294 4.154 5 20 IIBD CNC(=O)c1ccc(CN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C2CC2)cc1 771766399 FZSBFSNRGAAXIK-UHFFFAOYSA-N 436.390 4.170 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)C[C@@H]1CSCCN1C(=O)OC(C)(C)C 772143876 VQTPHONPKAVVDC-GFCCVEGCSA-N 429.926 4.238 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](NC[C@@H]1COC2(CCCC2)O1)c1ccccc1 773211707 SABIYMAPBSMQEI-XLIONFOSSA-N 445.903 4.203 5 20 IIBD O=C(CCc1cnn(-c2ccccc2)c1)OCc1ccc(Br)c([N+](=O)[O-])c1 773363447 RYGQZFUKXPRQLF-UHFFFAOYSA-N 430.258 4.219 5 20 IIBD COc1c([N+](=O)[O-])cc(N[C@@H](C)COc2ccccc2)c([N+](=O)[O-])c1Br 774526725 RWPOJLBWRHVOIU-JTQLQIEISA-N 426.223 4.154 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(Cn3ncc4cc([N+](=O)[O-])cc(Cl)c43)CC2)cc1 774636124 MCSHVHHYCPAIIE-UHFFFAOYSA-N 431.836 4.007 5 20 IIBD O=[N+]([O-])c1cc(F)ccc1OS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 777932410 DJLQEUOMTUNJPQ-AWEZNQCLSA-N 445.852 4.103 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 778164868 DKXKEKFYDXUSPA-NSHDSACASA-N 442.802 4.227 5 20 IIBD Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)C2)cc1 778256651 YCPJZNHQLRFNRL-INIZCTEOSA-N 446.454 4.055 5 20 IIBD O=c1c2cnn(-c3ccccc3[N+](=O)[O-])c2ncn1Cc1cccc(SC(F)(F)F)c1 781382415 VDZMDGKAIFMZHF-UHFFFAOYSA-N 447.398 4.151 5 20 IIBD COc1ccc(C)cc1[C@@H](C)OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 781628270 VAJSFLWZZJTWOA-OXQOHEQNSA-N 426.469 4.129 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(COC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)cc1OC 781648120 DGXPYMGDERMCRP-VPSFDDGASA-N 433.501 4.467 5 20 IIBD C[C@@H]1CN(c2ccc(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)cc2)CCO1 781934480 HMYUVYJINYXZBA-CQSZACIVSA-N 449.457 4.437 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCCCCCC3)c(F)c2)cc1[N+](=O)[O-] 782503020 AIHUXNFDRKNDNN-UHFFFAOYSA-N 449.504 4.160 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCSc2ncnc3sc4c(c23)CCCC4)cc1 783711659 APIWQSBOEQOWBS-UHFFFAOYSA-N 435.552 4.044 5 20 IIBD CC(C)c1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc(N3CCCC3=O)c2)cc1[N+](=O)[O-] 784258369 WKZSSAPIIZQTRT-OAHLLOKOSA-N 439.468 4.029 5 20 IIBD Cc1ccc(F)c(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1Br 785121288 OJMFMVUOXSHOPV-VIFPVBQESA-N 443.200 4.128 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1 785608726 ZQRNMMDNMTUPGU-UHFFFAOYSA-N 426.473 4.074 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1cc(Cl)ccc1OCC1CCC1 787356104 UTSXQSUCGFKWOK-UHFFFAOYSA-N 448.859 4.266 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(I)c1)N1CC[C@H](c2ccccc2)C1 787809878 SISBBOMZMXQNAF-ZDUSSCGKSA-N 437.237 4.221 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1 789908872 ROXKBQHNJBUEGR-FQEVSTJZSA-N 442.422 4.396 5 20 IIBD Cc1noc(-c2ccc(C(F)(F)F)cc2NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 791027670 HJZUQJXHKPHLFU-UHFFFAOYSA-N 437.290 4.133 5 20 IIBD Cc1nc2ccccc2n1C1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 792991360 GDGXJWMVKSRAHI-UHFFFAOYSA-N 427.892 4.453 5 20 IIBD CN(C)c1cc(F)c(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)cc1[N+](=O)[O-] 794434046 IDUWZKUNUMSQQG-MQMHXKEQSA-N 436.281 4.238 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NC1(c2c(Cl)cccc2Cl)CC1 800633551 BSAMGYMDRUTSAO-UHFFFAOYSA-N 426.231 4.093 5 20 IIBD O=C(NCc1cc2ccccc2[nH]1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 806633233 IEVPXZAJBUDDNK-UHFFFAOYSA-N 429.274 4.107 5 20 IIBD CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1c1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 809434421 YQHNDNOCKUAFCU-KRWDZBQOSA-N 427.461 4.368 5 20 IIBD Cc1cc(Cc2noc(Cn3ncc4ccc([N+](=O)[O-])cc43)n2)ccc1Br 810326994 VCWHOCDPGFRLEI-UHFFFAOYSA-N 428.246 4.038 5 20 IIBD O=C(OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H](c1ccccc1)N1CCC(O)CC1 811115830 WKCNZJWFMUCASR-LJQANCHMSA-N 439.295 4.143 5 20 IIBD O=C(OCc1ccccc1)c1ccc(CNc2nc(O)c3cc([N+](=O)[O-])ccc3n2)cc1 811853183 PPOSRIARURQCRJ-UHFFFAOYSA-N 430.420 4.213 5 20 IIBD O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\c1cnn(Cc2ccccc2Cl)c1 812447260 KOMAVWUFOFEEIW-IDUWFGFVSA-N 443.246 4.491 5 20 IIBD Cc1sc2ncnc(N3CCC(c4nc(CCC(C)(C)[N+](=O)[O-])no4)CC3)c2c1C 812814224 XQWMSSNLQRMYNZ-UHFFFAOYSA-N 430.534 4.063 5 20 IIBD C[C@@H](OC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCCC2)cc1 856620786 TZQMPYUSPSTESE-HZPDHXFCSA-N 443.525 4.246 5 20 IIBD CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)OCc1c(Cl)cccc1Cl 865211283 MYUDAXYETCGESR-ZDUSSCGKSA-N 447.296 4.090 5 20 IIBD Cc1c(C(=O)N(Cc2cccc(Br)c2)C2CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 914486594 ZXIZVWLNIXTLTL-UHFFFAOYSA-N 434.246 4.379 5 20 IIBD O=C(OCc1nc(-c2cccc(Br)c2)no1)c1cc2cc([N+](=O)[O-])ccc2[nH]1 917329893 LYPUCHPSJCUWKS-UHFFFAOYSA-N 443.213 4.246 5 20 IIBD O=C(COC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)Nc1ccccc1C(=O)c1ccccc1 919213866 MIYWHMJFDKDZEZ-UHFFFAOYSA-N 444.399 4.368 5 20 IIBD Cc1sc2nc([C@H](C)OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)nc(O)c2c1C 919228021 WHCPFVXYQAAIJT-VIFPVBQESA-N 432.414 4.057 5 20 IIBD C[C@@H](OC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl 920779329 SNTJLDPYFSIWDN-GHMZBOCLSA-N 427.240 4.239 5 20 IIBD CN(C(=O)CN1Cc2ccc([N+](=O)[O-])cc2C1)[C@]1(c2ccccc2Cl)CCCCC1=O 1116331072 OGYLFNQXKSCFES-QHCPKHFHSA-N 441.915 4.061 5 20 IIBD CCOc1ccc([C@@H](C)NCCNC(=O)c2ccccc2C(F)(F)F)cc1[N+](=O)[O-] 1116466884 LYRADMXQNDDBKR-CYBMUJFWSA-N 425.407 4.093 5 20 IIBD COc1ccc2cc(/C=C\C(=O)N3CCN(Cc4cccc([N+](=O)[O-])c4)CC3)ccc2c1 1119529617 HEHZDSRIOJSYIV-POHAHGRESA-N 431.492 4.114 5 20 IIBD Cc1ccc(NC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)c(Cl)c1Cl 1319556218 JIXOENWTFYQCPF-UHFFFAOYSA-N 433.251 4.317 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(Nc3ccccc3Cl)CC2)c2ncccc12 1320274281 SOBAOPXPLVTMBF-UHFFFAOYSA-N 446.916 4.062 5 20 IIBD Cc1cccc(NC(=O)c2ccccc2NC(=O)CN2Cc3ccc([N+](=O)[O-])cc3C2)c1 1322785080 ZOKSHWDBCPOWEV-UHFFFAOYSA-N 430.464 4.110 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)CCC2)cc1)C1=CCCC1 1787623376 WKWSYMZHKIDFDX-UHFFFAOYSA-N 445.479 4.329 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3nc[nH]c3[N+](=O)[O-])CCC2)cc1)c1cccc(Cl)c1 1790263644 ITBDTLMPEFYCEA-UHFFFAOYSA-N 439.859 4.033 5 20 IIBD CCCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2ccc(C)c([N+](=O)[O-])c2)C3)cc1 1799769767 VBIXHSWIKZDJQI-NUNAXRQHSA-N 449.551 4.350 5 20 IIBD Cc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)C(F)F)CC2)cc(Cl)cc1[N+](=O)[O-] 1826411571 GTVZNIZNRXQFET-MRXNPFEDSA-N 443.878 4.055 5 20 IIBD CCC(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)CC1 1830293235 WYPFLMVLGKLVJU-OAQYLSRUSA-N 427.545 4.046 5 20 IIBD C[C@H](NC(=O)COC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 9717198 PUPYIWUGVQZWSW-JTQLQIEISA-N 441.665 4.045 5 20 IIBD Cc1cc(Br)ccc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Cl 11028985 ZUBIABACXBPYFJ-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD CCOc1ccc(Oc2ccc(NC(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 11506860 WVULNFUKHYBIMN-UHFFFAOYSA-N 435.436 4.154 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1Cl 15710085 KGCOHQQYCDVMRR-JTQLQIEISA-N 427.240 4.403 5 20 IIBD CC(=O)Nc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Nc2ccccc2)cc1 16099411 LWCFVPCHGYWTSW-UHFFFAOYSA-N 426.454 4.098 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2ccc(-c3ccccc3)nc2C)c([N+](=O)[O-])c1 16166238 MFGUSBOFGSCKKL-UHFFFAOYSA-N 435.436 4.159 5 20 IIBD COc1ccc(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1Br 17982298 RPTCZXCURVHIKG-JTQLQIEISA-N 448.229 4.334 5 20 IIBD CNS(=O)(=O)c1ccc(N[C@@H](c2ccccc2)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 20669789 KVGJJVWBTTUZLU-FQEVSTJZSA-N 431.901 4.358 5 20 IIBD Cc1nn(-c2ccccc2)c(Cl)c1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 21111490 GYSWAPQDRBGILO-UHFFFAOYSA-N 449.250 4.191 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3cccc(C(=O)N(C)C)c3)cc2[N+](=O)[O-])n1 25326170 IFNQALQCDZELTO-UHFFFAOYSA-N 442.522 4.465 5 20 IIBD CCn1c(SCC(=O)N[C@@H]2CCOc3ccccc32)nc2cc3ccccc3cc2c1=O 27792299 LYHOTUUYZGIRGC-HXUWFJFHSA-N 445.544 4.302 5 20 IIBD Cc1c(-c2ccccc2)sc2ncn(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)c(=O)c12 31846025 NZRHTEWSTYSFGL-UHFFFAOYSA-N 445.460 4.440 5 20 IIBD COc1ccc(Cl)cc1C1(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCOCC1 63081941 NNAFFPGOXLGZFS-UHFFFAOYSA-N 443.887 4.216 5 20 IIBD CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 116243243 VAAXTOXYERXEKH-HKUYNNGSSA-N 438.528 4.495 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccccc1OCc1cn2cc(C)ccc2n1 195711690 GQECSJRKKWACFQ-UHFFFAOYSA-N 446.463 4.069 5 20 IIBD O=C(c1cc(NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)ccc1[N+](=O)[O-])N1CCCC1 301131377 VCIPMAQUYLBKQJ-HNNXBMFYSA-N 430.455 4.047 5 20 IIBD CCOc1cccc(N2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)c1[N+](=O)[O-] 302229087 RCMMBZDTTUZKEZ-CYBMUJFWSA-N 449.305 4.006 5 20 IIBD CO[C@H]1CCC[C@@H](OC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 302691528 XNMJPHXOMNYNEI-FCHUYYIVSA-N 435.480 4.491 5 20 IIBD CCOCCCN1CC[C@@H](NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)[C@@H](C)C1 303579679 DHBJFEHTBNGLSM-GHTZIAJQSA-N 440.544 4.205 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 303683616 NGCPIXSZGKLVPL-UHFFFAOYSA-N 425.329 4.152 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(N2CCc3ccccc32)CC1 409756060 YIRRDISOBMHCGQ-UHFFFAOYSA-N 428.920 4.027 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@H]1CCCOc2c(F)cccc21 426204917 IXSMMXVTAYGZMF-INIZCTEOSA-N 427.354 4.466 5 20 IIBD O=C(NCc1cccc(-c2ncc[nH]2)c1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 427081204 LFSYKWCJCBNVRM-UHFFFAOYSA-N 428.448 4.494 5 20 IIBD O=C(N[C@H]1CCn2ccnc2C1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 428348134 LMQFHTIFURZFQZ-AWEZNQCLSA-N 428.901 4.341 5 20 IIBD COc1ccc([C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c2ccccc2OC)cc1 430832596 HNWDKKCMODWZMF-XMMPIXPASA-N 436.464 4.205 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1c(Br)cccc1[N+](=O)[O-] 431215457 FASSULXWFLNGLB-UHFFFAOYSA-N 445.273 4.177 5 20 IIBD CC(C)n1c([C@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)nc2ccccc21 433688412 KIYRADZLGZQIJH-GOSISDBHSA-N 432.477 4.190 5 20 IIBD C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c2cc(Br)ccc2O1 436337359 BTZVVOHSIWMUQL-SECBINFHSA-N 443.200 4.386 5 20 IIBD O=C(Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1)c1ccc(O)c([N+](=O)[O-])c1 436956300 LZKWGAXWIHROSL-UHFFFAOYSA-N 431.448 4.075 5 20 IIBD C[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccc(-n2cccn2)cc1 439223253 MWRFIWOCYWKEJK-LLVKDONJSA-N 441.296 4.127 5 20 IIBD CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H]2CCCC[C@@H]21 439989127 PPHPCWYCSPSMHK-ZAAOTPHGSA-N 444.576 4.026 5 20 IIBD C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 440497037 QPIHIEQSWIGQIZ-WIYYLYMNSA-N 445.523 4.094 5 20 IIBD COc1ccc(CSCC(=O)N2CCC[C@H]2CC(=O)c2ccccc2)cc1[N+](=O)[O-] 443854761 VJBHZOGYLCXOJO-SFHVURJKSA-N 428.510 4.101 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1ccc(C(=O)Nc2ccccc2)cc1 445245102 SRIAOYOIELHZDO-UHFFFAOYSA-N 430.424 4.045 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)Cc1noc(-c2c[nH]c3cc([N+](=O)[O-])ccc23)n1 445323012 RXCUIHIUIXCEFF-UHFFFAOYSA-N 441.831 4.278 5 20 IIBD O=C(C[C@@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 446370091 JSGBZRZEMQZYLZ-INIZCTEOSA-N 431.286 4.164 5 20 IIBD CN(Cc1ccc2ccccc2c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 446935988 JBDPRFLGFBAUPV-UHFFFAOYSA-N 435.299 4.331 5 20 IIBD COc1ccc(C[C@](C)(O)CNC(=O)c2cc3ccccc3c3cccnc23)cc1OC 461237222 XRLZWFJGILFIIM-SANMLTNESA-N 430.504 4.129 5 20 IIBD CCCO[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCCO2)CC1 461671202 RWQIXEUMWCMGKA-LEWJYISDSA-N 443.548 4.208 5 20 IIBD Cc1ccccc1[C@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@H](C)CO1 462413355 BCEDGABNJTXEBM-SJKOYZFVSA-N 445.324 4.361 5 20 IIBD CC(C)(C)Oc1ccc(CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)c(C(F)(F)F)c1 463023715 YRKZIPNNWKDNEL-UHFFFAOYSA-N 447.435 4.050 5 20 IIBD CC(C)c1noc(-c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc34)cc2)n1 463529098 UCJRLAYGAQCBEV-UHFFFAOYSA-N 439.453 4.117 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccccc1CCC(F)(F)F 465144550 FZUSRITVIYAQIO-UHFFFAOYSA-N 437.374 4.417 5 20 IIBD O=C(NCc1ccc(OC(F)(F)F)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465490948 ODQQKQPATVJZRO-UHFFFAOYSA-N 439.390 4.246 5 20 IIBD CCOc1cc(NC(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OCC 466074288 UUXVWUWJWMBVNH-KKSFZXQISA-N 429.473 4.292 5 20 IIBD CNC(=O)CC1CCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC1 466444832 ZJRFFBNZFXTQNR-UHFFFAOYSA-N 447.944 4.388 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)NCCc3cn4c(n3)SCC4)cc2[N+](=O)[O-])cc1 466508161 DMFHJUMWWDFFOL-UHFFFAOYSA-N 440.550 4.329 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NC[C@@]3(C)CCO[C@@H]3C3CC3)cc2[N+](=O)[O-])n1 466843646 FRTFMERMDBQMJF-YLJYHZDGSA-N 433.555 4.446 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 468177832 LXHNSQXYUIHVGM-NHCUHLMSSA-N 433.512 4.002 5 20 IIBD C[C@@H](C[S@@](C)=O)N(C)C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 468298501 PNOOTBBDZBVWJP-BIXPNRAVSA-N 426.947 4.238 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@@H](c2cccc(Cl)c2)C1 469021947 PJGXIVBKQOKJFR-GOSISDBHSA-N 425.268 4.271 5 20 IIBD Cc1cc(C)n(-c2ccc([C@H](C)NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)n1 469253554 XILZOXSLUKLEFP-AWEZNQCLSA-N 434.905 4.090 5 20 IIBD Cc1cccc(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1Br 469867765 YGSVAWSTVVBIAX-UHFFFAOYSA-N 432.318 4.199 5 20 IIBD Cc1c(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cccc1NC(=O)N(C)C 471340077 IKDBXHPIAMDAHB-UHFFFAOYSA-N 425.470 4.373 5 20 IIBD CN1CCC(NC(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)CC1 471391079 PYDLRMGPWOWUHH-VKAVYKQESA-N 436.537 4.346 5 20 IIBD C[C@H](NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1ccccc1[N+](=O)[O-] 473640963 MPTXGEFZJIRQIK-NHYWBVRUSA-N 437.283 4.067 5 20 IIBD COc1ccccc1[C@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)OC(C)C 474146881 YJIFQLLQEUQSQR-QFIPXVFZSA-N 427.501 4.444 5 20 IIBD O=C(NCc1cccnc1OCC(F)(F)F)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 475213113 FSSQVYSQKGBIBC-UHFFFAOYSA-N 438.284 4.271 5 20 IIBD COc1cc(C(=O)Nc2ccc(I)cc2Cl)cc([N+](=O)[O-])c1C 478698492 INYAAEZNVDAPPS-UHFFFAOYSA-N 446.628 4.422 5 20 IIBD CC(C)(C)OC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(F)c1 479462706 ZFVUEWZJBINUFI-UHFFFAOYSA-N 430.841 4.143 5 20 IIBD Cc1cc(C(=O)NCC(=O)Nc2ccccc2NCCCc2ccccc2)ccc1[N+](=O)[O-] 480814097 BUGIHKCJXPIRRA-UHFFFAOYSA-N 446.507 4.316 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)cc1[N+](=O)[O-] 488001303 TVORDPJFNRJIAJ-MRXNPFEDSA-N 445.475 4.310 5 20 IIBD CCOc1ccc(NC(=O)CCSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC)cc1 489408453 FQVTYNMEBIINQK-UHFFFAOYSA-N 441.513 4.393 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)c(Br)cn1 489871046 LJEKIHILRXEVSH-UHFFFAOYSA-N 426.292 4.052 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(Br)c1 489959635 URQOYNFLLMAWFF-UHFFFAOYSA-N 429.267 4.487 5 20 IIBD CC(C)(NC(=O)NCc1cc(Br)cc2c1OCC2)c1ccccc1[N+](=O)[O-] 490022934 YVMQMQZYVHBNFA-UHFFFAOYSA-N 434.290 4.027 5 20 IIBD O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 497063485 CVWOIMBULMOYIH-UHFFFAOYSA-N 432.465 4.040 5 20 IIBD Cc1cccc(S(=O)(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)c1Br 497981441 FOEFEEAYOIFUPF-INIZCTEOSA-N 443.344 4.102 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC2(CCN(Cc3ccccc3)C2)CC1 498384686 LUSKAHJJXZLDLE-UHFFFAOYSA-N 430.508 4.271 5 20 IIBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cccc(Br)c1Cl 502545813 JPMVQSGODWYMKS-UHFFFAOYSA-N 427.638 4.424 5 20 IIBD CC[C@H](CSc1ccc(C)c(C)c1)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 504691406 HTEYTNZFJKQLQW-QGZVFWFLSA-N 425.514 4.093 5 20 IIBD C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 506011179 ZJVQIQWWVXBMNO-AWEZNQCLSA-N 431.539 4.164 5 20 IIBD CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 515897670 SGNSHLYAWRFDTK-UHFFFAOYSA-N 427.448 4.246 5 20 IIBD COCCOc1c(Cl)cccc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 520018020 UXUCFZTVJDFNKQ-UHFFFAOYSA-N 435.285 4.036 5 20 IIBD O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N(Cc1ccccc1)Cc1ccccc1F 520234586 RTEWFYKBHQQONX-UHFFFAOYSA-N 431.427 4.157 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H]1CCCN(c2ccccc2)C1 522315378 YAUJYYAKOZEOSO-OAHLLOKOSA-N 439.459 4.491 5 20 IIBD O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@@H]1C[C@H]1c1ccc(Br)cc1 522357522 SFFOKJZZPBPRRR-JKSUJKDBSA-N 427.258 4.490 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3O)cc2)c(C)c1[N+](=O)[O-] 531114230 BFKOXSIVZMXDDX-UHFFFAOYSA-N 434.374 4.433 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](c3nc4ccccc4s3)C2)c([N+](=O)[O-])c1 532625640 DPTMBVVVJOAAGK-LSDHHAIUSA-N 440.525 4.420 5 20 IIBD Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534796213 HPWARFYIGKFBBI-ADKURLETSA-N 441.509 4.073 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)c1ccc([S@@](C)=O)cc1 535204192 BUNUMLFOKHYFDB-RKXCMPKHSA-N 437.521 4.435 5 20 IIBD COC(=O)CCN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1cccc(F)c1F 535553691 NXSXKUDVXTZBGC-UHFFFAOYSA-N 431.395 4.093 5 20 IIBD CC1(C)CCC[C@H](c2noc([C@@H]3CCCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)C3)n2)C1 536051248 AQDHHLHTDFDENM-JKSUJKDBSA-N 448.545 4.230 5 20 IIBD Cc1c(NC(=O)CCN[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)cccc1[N+](=O)[O-] 537165254 UZVRPNWLRMFLDX-HNNXBMFYSA-N 425.464 4.216 5 20 IIBD CCc1ccc(C(=O)Nc2c(F)cc(C)cc2I)cc1[N+](=O)[O-] 537805676 JBEXOCFPMCRCDP-UHFFFAOYSA-N 428.201 4.462 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCOc1cccc(C(F)(F)F)n1 539355054 CXMUOINJAXCSSQ-UHFFFAOYSA-N 429.420 4.318 5 20 IIBD O=C(C[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1cccs1 539757983 MAAVMBZKGMRQAV-LLVKDONJSA-N 448.444 4.101 5 20 IIBD CSC[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 543596888 HLRDIPMRLBLFTL-QGZVFWFLSA-N 448.488 4.081 5 20 IIBD O=[N+]([O-])c1ccc(CSc2nnc(N3CCOCC3)n2-c2cccc(F)c2)c(Cl)c1 543863235 QJWGJUYLMVOMOZ-UHFFFAOYSA-N 449.895 4.097 5 20 IIBD Cc1cc(C)n(-c2ccc(Cc3noc(CCCNc4ccc([N+](=O)[O-])cc4)n3)cc2)n1 544920741 PZFPOAIGMNNOTE-UHFFFAOYSA-N 432.484 4.416 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(-c3cccnc3-n3cncn3)no2)ccc1Nc1ccccc1 545656168 GBLCCRFSJAOTKY-UHFFFAOYSA-N 426.396 4.031 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1nc(-c2ccncc2N2CCCC2)no1 545820048 NNBSWICGTJEXDT-UHFFFAOYSA-N 448.405 4.313 5 20 IIBD Cc1cc(Br)cn2cc(CNc3ncc(Br)cc3[N+](=O)[O-])nc12 546051798 ZOXRMQGHQAMZGK-UHFFFAOYSA-N 441.083 4.083 5 20 IIBD CCn1c(SCc2nc(Cc3ccc([N+](=O)[O-])c(OC)c3)no2)nc2ccccc21 546466811 LDBIQGTYQLZUDA-UHFFFAOYSA-N 425.470 4.239 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](c1ccc(F)cc1)c1cccs1 547333597 RXBQDDZAMSHGAK-LJQANCHMSA-N 427.457 4.257 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCCC4(CCOCC4)C3)n2CCc2ccccc2)c1 549169647 YXMBEZHGOBDKCT-UHFFFAOYSA-N 447.539 4.493 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CC[C@H](c4ccc(F)cc4)C3)n2C[C@@H]2CCOC2)c1 550024028 XMMNCXRBUHHTMG-LPHOPBHVSA-N 437.475 4.023 5 20 IIBD COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C 557179134 QGFPGFCHHOCXGQ-MAUKXSAKSA-N 430.526 4.246 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H](OC)c2ccc(Br)cc2)c1 558801630 DLJNROYKPOOTRQ-KZULUSFZSA-N 437.290 4.262 5 20 IIBD COc1cc(CN(C)c2nc(O)c3cc([N+](=O)[O-])ccc3n2)ccc1OCc1ccccc1 561107984 QUVNGYUBBSFMRI-UHFFFAOYSA-N 446.463 4.468 5 20 IIBD CCOC1CC(N(C)C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 569281979 MEMGCHYJDDBLSN-UHFFFAOYSA-N 434.496 4.016 5 20 IIBD C[C@@H](C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1)c1cccc([N+](=O)[O-])c1 569873681 OWTPKPDBPQUHAD-CABCVRRESA-N 432.318 4.104 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc([C@@H](c3ccc(Cl)cc3Cl)N3CCOCC3)n2)c1 570557102 IEUOWLNNMWGYHV-QGZVFWFLSA-N 435.267 4.373 5 20 IIBD COc1cc(Cc2noc(-c3cccnc3OCc3ccccc3F)n2)ccc1[N+](=O)[O-] 578799957 MFJLTUOVGBJOMH-UHFFFAOYSA-N 436.399 4.357 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(NS(=O)(=O)Cc3ccccc3)c2)c1 579267438 MCKVYOCXFNPXKC-UHFFFAOYSA-N 425.466 4.097 5 20 IIBD Cc1c(NC(=O)N(CCn2ccnc2)Cc2ccc(Br)o2)cccc1[N+](=O)[O-] 581842375 HGFDQTJQMCQDSA-UHFFFAOYSA-N 448.277 4.190 5 20 IIBD O=C(N[C@H](c1ccccc1F)C1CCCC1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 583432879 DYPKIUYJBHGIIS-QFIPXVFZSA-N 439.487 4.273 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ncc(-c2ccc(Cl)cc2)s1 583666936 ZLMXAPDBJYLYFY-UHFFFAOYSA-N 425.875 4.181 5 20 IIBD CC(=O)N(c1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1)C1CC1 584001601 KUIUFESNRCKZTQ-UHFFFAOYSA-N 437.374 4.304 5 20 IIBD Cc1ccc(-n2cnnc2SCC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc1Cl 591410836 NNKRYDLMZGLFOJ-UHFFFAOYSA-N 431.905 4.485 5 20 IIBD Cc1cccc(N2C[C@H](C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)CC2=O)c1C 601908596 GXQOHBYTISTZAC-MRXNPFEDSA-N 436.493 4.327 5 20 IIBD COc1ccc(CCN(Cc2ccccc2)C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)cc1 608898171 QJDDZIFJUMUNHT-UHFFFAOYSA-N 436.512 4.078 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NC[C@H](O)COc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 608974681 XUIVVDVKMBFUDM-IBGZPJMESA-N 439.443 4.146 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC1(c2ccc3c(c2)OCCO3)CCCC1 609109844 SKFQLLWSWNQYNI-UHFFFAOYSA-N 425.485 4.144 5 20 IIBD Cc1cccc(COc2ccc(NC(=O)C(=O)N(C)Cc3ccccc3[N+](=O)[O-])c(C)c2)c1 609254769 LPUBWYOOXQODBZ-UHFFFAOYSA-N 447.491 4.388 5 20 IIBD Cc1ccc(F)cc1NC(=O)[C@H](C)SCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 609770574 BMKHLYJCLRTHAB-ZDUSSCGKSA-N 433.461 4.101 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)N[C@@H]1CCN(C2CC2)C1 609817867 QCLBYSYRVFGLDE-CQSZACIVSA-N 448.882 4.216 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])N(CC(F)(F)F)c1ccc(Br)cc1 609832303 ZVANFXURONSWQQ-UHFFFAOYSA-N 433.180 4.332 5 20 IIBD O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 609841581 VHNSCSVFZBGQGM-CQSZACIVSA-N 429.889 4.093 5 20 IIBD COC(=O)c1cc(NC(=O)Cc2c(C)[nH]c3ccc(Br)cc23)cc([N+](=O)[O-])c1 609884989 MCSHTAZMWMMATO-UHFFFAOYSA-N 446.257 4.115 5 20 IIBD COc1ccccc1[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)N1CCCCC1 610061323 AKBARPRYFSUMFE-NRFANRHFSA-N 425.529 4.224 5 20 IIBD CCOC(=O)c1ccccc1N(CC)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 610229055 VIRVTLGIVXUIGJ-UHFFFAOYSA-N 440.374 4.379 5 20 IIBD Cc1ccc(NCCCNC(=O)N2C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 610643299 ZWASCWIETCWUAU-TXEJJXNPSA-N 442.360 4.087 5 20 IIBD COc1cc(CNc2ccc(-n3ccnc3)c(F)c2)c([N+](=O)[O-])cc1OCC(F)(F)F 610910278 ZCLKSXMPKNSBGN-UHFFFAOYSA-N 440.353 4.481 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1ccc(Cc2ccncc2)cc1 611194104 FVEGZUFYUVNLDU-UHFFFAOYSA-N 448.298 4.144 5 20 IIBD Cc1c(NC(=O)[C@H](C)N[C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)cccc1[N+](=O)[O-] 612051713 JSMLLJYUPOYKNR-XHRGMSINSA-N 436.556 4.121 5 20 IIBD COc1ccccc1OCC(=O)Nc1cccc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c1 617703005 VKZVXTATIXUGOW-MRXNPFEDSA-N 449.463 4.363 5 20 IIBD O=C(Nc1ccn(-c2ncccc2F)n1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 618682299 AYHFDPYFWRCJIZ-UHFFFAOYSA-N 433.399 4.146 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Br)Nc1cccc(Cl)c1Cl 725983950 AIPRBEOWZHXQPU-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD O=C(N[C@@H]1C[C@@H]1c1cccc(Br)c1)c1ccc(Br)c([N+](=O)[O-])c1 726518645 MBLXTGSYIFBISI-TZMCWYRMSA-N 440.091 4.406 5 20 IIBD C[C@H](CC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccccc1F 726841287 CIXHBYCLCFEKNF-LLVKDONJSA-N 428.338 4.428 5 20 IIBD Cc1occc1-c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)n(CCO)n1 727314979 NZANMADNAZLELC-UHFFFAOYSA-N 448.435 4.397 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 727435052 MVJIMCAHGCJUFO-ADLMAVQZSA-N 442.274 4.441 5 20 IIBD Cc1csc([C@](O)(CC(=O)OCc2cc([N+](=O)[O-])ccc2OC(C)C)C(F)(F)F)n1 729120139 WLGDWKUVAZIAHL-QGZVFWFLSA-N 448.419 4.030 5 20 IIBD COc1ccc2cc(NC(=O)c3ccc(I)c([N+](=O)[O-])c3)ccc2n1 730494845 YZYSQMKHZKOFQK-UHFFFAOYSA-N 449.204 4.009 5 20 IIBD Cc1ccccc1CS(=O)(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 732216779 YDNVLMTTXLMLMR-UHFFFAOYSA-N 426.450 4.064 5 20 IIBD COc1cccc(COC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 733006603 VTUDDDNMTHSOSP-UHFFFAOYSA-N 426.812 4.240 5 20 IIBD C[C@H](CCN(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 733167539 ZJKFEGCMYBMPFL-LJQANCHMSA-N 438.572 4.124 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)[C@H](Sc2ccccc2)c2ccccc2)ccc1[N+](=O)[O-] 734736431 SFZAILPMQYNFIT-HXUWFJFHSA-N 442.518 4.242 5 20 IIBD Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc([N+](=O)[O-])cc1Br 739496864 LJHAWVREMKEFFY-APWZRJJASA-N 430.302 4.114 5 20 IIBD COC(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 742718997 IXQYBMGEENEQFV-UHFFFAOYSA-N 425.529 4.209 5 20 IIBD COc1ccc(-c2ncc(C(=O)O[C@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)s2)cc1 745559744 XIXUGDDZNDZMDE-LLVKDONJSA-N 445.428 4.050 5 20 IIBD O=C(COC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccc2c(c1)COC2 746554591 IBPKXDKBEOUSPS-UHFFFAOYSA-N 432.432 4.277 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(F)cc1 747958830 WQEZRQKYUNIGOA-QWHCGFSZSA-N 443.456 4.280 5 20 IIBD O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1cc(Cl)ccc1OC(F)F 748916509 HGTXQDXYMPGBRA-UHFFFAOYSA-N 442.758 4.005 5 20 IIBD Cc1nn(Cc2ccc(C(=O)O[C@H](C)c3nc4ccccc4n3C)cc2)c(C)c1[N+](=O)[O-] 750199883 DLRRBSIIJKEUCG-MRXNPFEDSA-N 433.468 4.261 5 20 IIBD O=C(Nc1cccc(OC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1)c1ccco1 750839931 IRAYCGXHZRFZKV-UHFFFAOYSA-N 431.198 4.422 5 20 IIBD O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1cccc(-n2nccc2C(F)(F)F)c1 751659394 YMEJHOLULLJVGE-UHFFFAOYSA-N 432.314 4.298 5 20 IIBD CC(C)n1ccnc1COC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 752065120 AASSLCPUAZFWGE-UHFFFAOYSA-N 440.422 4.351 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)c1ccc(Br)cc1F 752987909 YPLYZEDPHZXSEJ-VIFPVBQESA-N 428.233 4.193 5 20 IIBD CCc1ccc([C@H](NC[C@@H](O)c2cc(OC)ccc2OC)c2ccc([N+](=O)[O-])cc2)o1 753610270 AYPOCMBZVWOHRF-NFBKMPQASA-N 426.469 4.180 5 20 IIBD O=C(Nc1cnc(Br)c(Br)c1)c1ccc(Cl)c([N+](=O)[O-])c1 757822666 APIBTVJWIFBKDZ-UHFFFAOYSA-N 435.459 4.421 5 20 IIBD Cc1cc(F)cc(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2F)c1[N+](=O)[O-] 758474613 VIKSQFQVPRWUBE-UHFFFAOYSA-N 427.411 4.419 5 20 IIBD CC(=O)N(c1ccc(Cl)cc1)c1nc(COC(=O)c2cccc([N+](=O)[O-])c2N)cs1 758952569 BUPFVMYLIMQZEH-UHFFFAOYSA-N 446.872 4.329 5 20 IIBD CCC[C@@H](NC(=O)c1ccccc1)c1noc([C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 762306894 FWQCOYMMLYMGEF-VQIMIIECSA-N 435.440 4.115 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 765076851 HPBINAHRCNXZCZ-WOJBJXKFSA-N 435.524 4.306 5 20 IIBD CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1 766197956 HLTAMIJXWQGCJZ-QKKBWIMNSA-N 433.461 4.253 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCC(O)(c2ccccc2)CC1 768586984 IWKYOAXCEUHXKQ-UHFFFAOYSA-N 431.492 4.331 5 20 IIBD C[C@@H](OC(=O)c1coc(C2CCC2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 769625271 VNCRZXVGLSYNIT-SECBINFHSA-N 427.335 4.053 5 20 IIBD CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1 770320319 VHRWMCSRWSKLKN-JTQLQIEISA-N 438.303 4.435 5 20 IIBD O=C(Cc1noc(COc2ccc([N+](=O)[O-])c(F)c2)n1)Nc1cc(Cl)cc(Cl)c1 771056591 HMBPGTXEKQFNJN-UHFFFAOYSA-N 441.202 4.184 5 20 IIBD Cc1cc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])n([C@@H]2CCN(Cc3ccccc3)C2)n1 772270060 PRWKCGAQJBYZMG-QGZVFWFLSA-N 439.903 4.452 5 20 IIBD C[C@H](Oc1cccc2ccccc12)C(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 774072946 RUBVNUCKYUZDFZ-KRWDZBQOSA-N 435.480 4.370 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776137029 MDURANYMGACNDU-QFIPXVFZSA-N 432.392 4.186 5 20 IIBD CSc1cccc(C(=O)Nc2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c1[N+](=O)[O-] 776892810 QBGQYZBQWVLSBO-UHFFFAOYSA-N 444.513 4.257 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 777990060 SLBIHYCFDNEKBT-MRXNPFEDSA-N 446.460 4.008 5 20 IIBD C[C@@H](OC(=O)[C@@H](F)Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 778202900 QJZFWJKQRQVWQN-ABAIWWIYSA-N 428.338 4.065 5 20 IIBD O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)OCc1ccc([N+](=O)[O-])cc1Cl 778334100 KDPMKHYUFVBOFD-OAHLLOKOSA-N 427.265 4.448 5 20 IIBD COc1cc(CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)c([N+](=O)[O-])cc1OCC(F)F 778994823 NMSPKHIYRGKSSL-UHFFFAOYSA-N 445.806 4.441 5 20 IIBD Cn1ccnc1[C@H](NCC1(NC(=O)OC(C)(C)C)CCCCC1)c1cccc([N+](=O)[O-])c1 780765835 OQSNLPLHQVZEOS-LJQANCHMSA-N 443.548 4.235 5 20 IIBD Cc1cccc(C(C)C)c1NC(=O)COC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 786781421 GPELUARQRKXQGV-UHFFFAOYSA-N 437.452 4.136 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2cnc(-c3ccccc3)s2)c(C)c1[N+](=O)[O-] 790406434 UMJQQBLZBNBHIK-UHFFFAOYSA-N 434.455 4.044 5 20 IIBD O=[N+]([O-])c1cccc(Br)c1OS(=O)(=O)c1ccc(CC(F)(F)F)cc1 790861396 KGPYMQQPWVBOAJ-UHFFFAOYSA-N 440.193 4.230 5 20 IIBD O=C(NC[C@@H]1CCCCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccccc1 790891088 ZZSCBGYXDLIUCU-INIZCTEOSA-N 448.882 4.133 5 20 IIBD O=[N+]([O-])c1cn(CN2CCC(c3cccc(Br)c3)CC2)nc1-c1ccncc1 799165365 FSJSUGIUPSULES-UHFFFAOYSA-N 442.317 4.453 5 20 IIBD Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NCc3ccc(Cl)c([N+](=O)[O-])c3)cc21 799974309 UFSOZTRFWQWWOX-UHFFFAOYSA-N 429.908 4.041 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 800148160 ZGZFCOOGOGYRLC-UHFFFAOYSA-N 428.441 4.269 5 20 IIBD COc1cc(C)c(Br)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1Cl 800930416 LOEBTCBNUFZRDR-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD COc1cccc(-n2nc(C)c([C@H]3COCCN3Cc3ccc([N+](=O)[O-])c(F)c3)c2C)c1 801537982 WRMQTKJGAGPIPR-JOCHJYFZSA-N 440.475 4.119 5 20 IIBD Cc1cccc(NC(=O)N2CCC[C@H](C(=O)OCc3c(F)cc([N+](=O)[O-])cc3F)C2)c1 803295614 XQSRGXVCEIMRNL-AWEZNQCLSA-N 433.411 4.169 5 20 IIBD Cc1c(NC(=O)CCN2CCCC[C@H]2CCNC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] 805764048 UMJUGXGQNCERFS-KRWDZBQOSA-N 434.537 4.001 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)(C(F)(F)F)C1 806649437 CCFGRYOPUYIOQO-QGZVFWFLSA-N 428.367 4.086 5 20 IIBD COc1ccc2cc(NC(=O)C(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)ccc2c1 807065195 AARXYGABZVVGOY-UHFFFAOYSA-N 447.369 4.030 5 20 IIBD CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)Nc1cccc([N+](=O)[O-])c1Cl 809916562 OEKIHVSTGSQVGW-NSHDSACASA-N 447.797 4.171 5 20 IIBD CCCS(=O)(=O)c1ccccc1S[C@H](C)c1nc(CCC(C)(C)[N+](=O)[O-])no1 812812193 AKJKEQDBCDSLGV-CYBMUJFWSA-N 427.548 4.095 5 20 IIBD O=c1c(Br)nn(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)c2ccccc12 814756436 USCWLXSQAVEYHH-UHFFFAOYSA-N 428.164 4.134 5 20 IIBD C[C@H](C(=O)O[C@H]1C[C@@H](OC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1)c1cccc([N+](=O)[O-])c1 816098178 FRIMTGTZEMZCPH-YKLJGAPNSA-N 442.424 4.028 5 20 IIBD Nc1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1[N+](=O)[O-] 819916130 HRUNMRXCDNAING-IBGZPJMESA-N 438.871 4.330 5 20 IIBD COc1cc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc(OC)c1 914487864 SPBPJRMUDCSXRF-UHFFFAOYSA-N 427.501 4.121 5 20 IIBD CS(=O)(=O)N(Cc1c(Br)cccc1[N+](=O)[O-])c1ccc(Cl)cc1F 915669670 QBZRREFAQRCWLC-UHFFFAOYSA-N 437.674 4.116 5 20 IIBD C[C@H](c1ccc(Cl)cc1)N(C)C(=O)COC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 918824937 KCVCNVXWVZWLNM-CYBMUJFWSA-N 431.876 4.199 5 20 IIBD C[C@@H](OC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C(=O)Nc1nc(-c2ccccc2)cs1 919526101 DFIPMXLGRGYKMN-GFCCVEGCSA-N 436.449 4.384 5 20 IIBD Cc1cc(OCc2nc([C@H](NC(=O)OC(C)(C)C)c3ccccc3)no2)ccc1[N+](=O)[O-] 1256428829 UIUYTGOPKNVOMB-LJQANCHMSA-N 440.456 4.479 5 20 IIBD COc1cc(COC(=O)[C@@H]2Cc3ccc(C)cc3S2)c([N+](=O)[O-])cc1OC(F)F 1317736194 VCBIDZDHHGDCQN-KRWDZBQOSA-N 425.409 4.273 5 20 IIBD O=c1oc2cc([N+](=O)[O-])ccc2n1CCCc1nnc(CC23CC4CC(CC(C4)C2)C3)o1 1322663397 NUWJWDGTAVZFLW-UHFFFAOYSA-N 438.484 4.277 5 20 IIBD Cc1cc(OCC(=O)NCCSc2ncc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-] 1339313501 NZAHGGINTHDZKV-UHFFFAOYSA-N 449.838 4.258 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccc([N+](=O)[O-])o4)CCC3)cc2)cn1 1787297334 VTCRKDHKZBIZQD-PKNBQFBNSA-N 446.463 4.352 5 20 IIBD O=C(CC(F)(F)F)NC1(c2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2)CCC1 1790696823 ZKQACKZLKNTJIB-UHFFFAOYSA-N 439.365 4.434 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@H]3F)CCC2)cc1 1790772420 ONQPRJDPWUHPNY-DOTOQJQBSA-N 429.423 4.148 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)[nH]n1)c1cc2ccccc2o1 1818630989 NYZFCOOSBRZUJV-INIZCTEOSA-N 448.439 4.012 5 20 IIBD Cc1c(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CC2CC2)CC3)cc(Cl)cc1[N+](=O)[O-] 1823703733 RBOYEQRXMBQQRN-CYBMUJFWSA-N 448.932 4.039 5 20 IIBD Cc1ccc(C(=O)N2CCCC23CN(C(=O)C2(c4cccc([N+](=O)[O-])c4)CCC2)C3)cc1C 1844923624 CLQAPMZSKVFSMB-UHFFFAOYSA-N 447.535 4.151 5 20 IIBD COc1ccc(CNc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)s2)cc1 16324140 SLWWYHOBXPEZHT-UHFFFAOYSA-N 445.526 4.106 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)c([N+](=O)[O-])c1 16799446 WPJZLKHUFMCHBV-VIFPVBQESA-N 429.654 4.425 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 19425865 LMBTVKVRBNYWPN-UHFFFAOYSA-N 449.847 4.391 5 20 IIBD COC(=O)c1cc(C(=O)Nc2nc(-c3ccc(OC)c(Cl)c3)cs2)cc([N+](=O)[O-])c1 20017466 IYBQELFEIFXJOI-UHFFFAOYSA-N 447.856 4.419 5 20 IIBD O=C(Nc1nc(CN2CCCCCC2)cs1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 29634905 KBHCZSIDMDFASB-UHFFFAOYSA-N 443.573 4.282 5 20 IIBD C[C@H]1Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)cc2NC1=O 29994140 XRFDXFGUSXHRQZ-CQSZACIVSA-N 432.436 4.179 5 20 IIBD CC(=O)Nc1cc(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)ccc1F 45872329 PQPQLSAMJZEQHE-OKILXGFUSA-N 428.464 4.427 5 20 IIBD CC(C)[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 64723237 GYSZNZVPLMJMTJ-XCLFUZPHSA-N 434.876 4.300 5 20 IIBD CNC(=O)c1ccc(N[C@H](C)c2ccc(OCc3ccncc3)c(OC)c2)c([N+](=O)[O-])c1 64914710 UHCNCIYAQCXGPS-OAHLLOKOSA-N 436.468 4.110 5 20 IIBD Cc1cc(C)c2nc(NC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)sc2c1 104948949 WNHCPBSPZDVHAZ-UHFFFAOYSA-N 426.454 4.148 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H](O)CN3CCc4ccccc4C3)o2)c(Cl)c1 237965167 XBWXWFNYRBRKRR-LJQANCHMSA-N 441.915 4.017 5 20 IIBD O=C1[C@H](Nc2ncc([N+](=O)[O-])cc2Br)CCCN1c1ccccc1Cl 301509228 CPITWTPDCHWZDM-CYBMUJFWSA-N 425.670 4.013 5 20 IIBD O=C(NCc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 303383269 WNVYSSHOOZCLJO-UHFFFAOYSA-N 438.447 4.254 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ccnn1Cc1ccc(C(F)(F)F)cc1 429531293 XCPMHTSOAXKAEP-UHFFFAOYSA-N 433.390 4.223 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)cc1 430021189 QSMMNWBOXGXNER-INIZCTEOSA-N 429.267 4.022 5 20 IIBD C[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])c2ccccc2N(Cc2ccccc2)C1=O 430772054 IYYOECNAOVMSKB-GOSISDBHSA-N 444.491 4.223 5 20 IIBD O=C(c1ccc(F)cc1)C1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 434153007 LKWQRWPDOSQHRO-UHFFFAOYSA-N 427.476 4.361 5 20 IIBD O=[N+]([O-])c1cccc(/C=C\c2nc(O)c3cnn(-c4cccc(Br)c4)c3n2)c1 434939276 RBYIEFCJCSHNIX-FPLPWBNLSA-N 438.241 4.362 5 20 IIBD Cc1nccn1-c1ccc(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1F 436312292 YXMBTWYLEIWDBJ-UHFFFAOYSA-N 444.441 4.384 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCO[C@@H](c2ccccc2F)C1 436335693 HINOXKKHTGFWGH-OAQYLSRUSA-N 438.405 4.312 5 20 IIBD Cc1ccccc1-c1cc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)n(CCO)n1 436368466 VCNBJVDCBZPYBD-UHFFFAOYSA-N 438.487 4.098 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1 436605500 LDLJSTVCUCFCHS-NRFANRHFSA-N 433.464 4.417 5 20 IIBD Cc1ccc(CNC(=O)C2CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC2)cc1 437293893 XSOHVOGGQZYQKD-UHFFFAOYSA-N 449.429 4.091 5 20 IIBD C[C@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCN1Cc1ccccc1 437495584 ORMDMYUSCRAZMD-NRFANRHFSA-N 439.559 4.278 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccc4oc(C(=O)O)cc4c3)cc2)c(C)c1[N+](=O)[O-] 440002029 JDFTVHKNQNTGKC-UHFFFAOYSA-N 434.408 4.153 5 20 IIBD C[C@H](NC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)c1cccc(O)c1 444453132 GMADLMYGYQOTGK-HNNXBMFYSA-N 433.464 4.088 5 20 IIBD Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2I)cnn1C1CCCC1 444455620 LBNSEOQKORVCNL-UHFFFAOYSA-N 440.241 4.072 5 20 IIBD C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccc(NC(=O)C2CC2)cc1 445683593 PAJLBULONSGQAZ-LBPRGKRZSA-N 446.301 4.126 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccsc2)c2cccnc2)c(C(F)(F)F)c1 447021484 SILWGFIFYADHEC-UHFFFAOYSA-N 443.428 4.466 5 20 IIBD CCc1ccc([C@H](Nc2cnn(Cc3nnc4n3CCCC4)c2)c2ccc([N+](=O)[O-])cc2)o1 447574180 UUOSUIOPIQXMIF-HSZRJFAPSA-N 447.499 4.124 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)c1c(C)cccc1[N+](=O)[O-] 447634115 LPIMHFSYPXJJKG-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD Cc1cc(C[C@@H](C)Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])n(-c2ccccc2)n1 448059155 XJQLZKPZNLHOHL-MRXNPFEDSA-N 444.495 4.097 5 20 IIBD Cc1cn(-c2ncccc2F)nc1NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 448405014 GAGTVUFGCNDYBW-UHFFFAOYSA-N 432.415 4.619 5 20 IIBD Cc1ccc(-c2noc(CCC(=O)N3CCS[C@@H]3c3ccc([N+](=O)[O-])cc3)n2)cc1F 460352966 OQUXHDIJJCPCCT-OAQYLSRUSA-N 442.472 4.299 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)N1CCC(C(C)C)CC1 461416904 IINSJHYGXDFIAU-UHFFFAOYSA-N 445.541 4.212 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 463975596 VMVXIFHZYQLEBO-UHFFFAOYSA-N 430.892 4.245 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC[C@H]1c1cccc(Br)c1 465072092 KLVBECOWYXYLPD-INIZCTEOSA-N 447.285 4.035 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ccccc1CCC(F)(F)F 465151368 YPBWZEKUSVOOSU-UHFFFAOYSA-N 429.782 4.112 5 20 IIBD COc1ccc(CNC[C@]2(C)CCO[C@@H]2C2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 466452602 QCUQTLUVTPLGPJ-RPWUZVMVSA-N 426.513 4.477 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C)nc2c1cnn2Cc1cccs1 466518806 LMYKKQOSZAYWCX-UHFFFAOYSA-N 437.481 4.409 5 20 IIBD CC(C)c1ccc(C(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)cc1[N+](=O)[O-] 473185477 XFVFDHPDMWSZFZ-UHFFFAOYSA-N 427.526 4.088 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 473499189 PJFLIGGJQNZAOS-HSZRJFAPSA-N 427.932 4.305 5 20 IIBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(F)cc1-c1ccc(Cl)cc1 473930966 IUAXFZAYIVZNFI-UHFFFAOYSA-N 427.819 4.423 5 20 IIBD COc1cc(CNc2ncc(Br)cc2[N+](=O)[O-])ccc1OCC(F)(F)F 474772673 KDGVFTBNIRNSJX-UHFFFAOYSA-N 436.184 4.314 5 20 IIBD O=C(c1ccccc1)c1ccc(N2CCC(c3nnc4n3CCCC4)CC2)c([N+](=O)[O-])c1 475733977 WDGHTKOOUXRQGK-UHFFFAOYSA-N 431.496 4.138 5 20 IIBD O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 479451928 WVCQYUFSZHQNLO-MSOLQXFVSA-N 443.500 4.152 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)c1C 481595100 IFDUQKBBFJERON-OAHLLOKOSA-N 431.514 4.027 5 20 IIBD CCc1ccc([C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)CCO2)cc1 482058645 DKVGZYQYBUHPIR-IBGZPJMESA-N 433.302 4.062 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(OCC(F)(F)F)cc2)cc1SC 482091061 CUDHQCIDLMXQLF-UHFFFAOYSA-N 430.404 4.196 5 20 IIBD COc1cc(CCNC(=O)N2CCC(c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])cc1OC 482657796 PDARFLBPPYHRMU-UHFFFAOYSA-N 447.919 4.397 5 20 IIBD O=C(N[C@@H](CO)Cc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 483115621 MPWUDGWFOIXLFR-QGZVFWFLSA-N 426.469 4.219 5 20 IIBD CCOC(=O)c1sc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C(=O)OC(C)(C)C)c1C 483384034 SLYDQFWUCZGDKF-UHFFFAOYSA-N 434.470 4.349 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(Oc3ccccc3)nc2)cc1SC 483497058 SWUVCJIBTLZGIF-UHFFFAOYSA-N 425.466 4.443 5 20 IIBD O=C(Nc1ccc(Cc2nnc3ccccn23)cc1)c1cc([N+](=O)[O-])ccc1OC(F)F 485689305 ITTURNNBIIGJHF-UHFFFAOYSA-N 439.378 4.082 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1OC1CCOCC1 488673040 RRQPVEQHGDUHAV-UHFFFAOYSA-N 431.464 4.436 5 20 IIBD CCOC(=O)[C@]1(CCSc2nc3cc4ccccc4cc3c(=O)n2CC)CCCC1=O 488768471 QGXMVEDGAHHQPZ-DEOSSOPVSA-N 438.549 4.354 5 20 IIBD CCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H](C)C(=O)Nc1ccccc1C 490057556 DHUMGJKWJGVHAS-GOSISDBHSA-N 426.517 4.279 5 20 IIBD CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 490543593 KKOKCEFSBPEYID-FQEVSTJZSA-N 429.904 4.194 5 20 IIBD CCOc1cc(CN2[C@H]3CC[C@H]2CC(O)(Cc2ccc(F)cc2F)C3)ccc1[N+](=O)[O-] 492741074 CSZXIVNFOJFKMT-OALUTQOASA-N 432.467 4.372 5 20 IIBD CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2cc(CC)nc(-c3ccc([N+](=O)[O-])cc3)n2)C1 496185292 FRMVUKGTDHCZED-SJLPKXTDSA-N 425.533 4.135 5 20 IIBD COc1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1OCC(F)(F)F 497375831 CZOICKADYJKAKZ-UHFFFAOYSA-N 425.363 4.371 5 20 IIBD Cc1cccc(Oc2cc(CNS(=O)(=O)CCc3ccccc3[N+](=O)[O-])ccn2)c1C 500944999 NUAQQADIMKGGAY-UHFFFAOYSA-N 441.509 4.061 5 20 IIBD COc1cc(CN(CCNC(C)=O)Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1F 502875385 ITQQZNDZDYOBPQ-UHFFFAOYSA-N 444.290 4.188 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 504265739 PNCRSEBCHKMKPJ-GFCCVEGCSA-N 449.817 4.060 5 20 IIBD O=C(Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 505210691 NVWTYOMKPVCTOF-FCHUYYIVSA-N 425.485 4.130 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCN[C@H](c3cccc(F)c3)C2)cc1[N+](=O)[O-])c1ccccn1 505542013 DWEDONZYBBWRIL-AOMKIAJQSA-N 449.486 4.089 5 20 IIBD COc1cc(C(=O)Nc2ccc(Br)c3cccnc23)cc([N+](=O)[O-])c1OC 511951149 CUDRNRSVVWULOA-UHFFFAOYSA-N 432.230 4.175 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCN(Cc4cccs4)CC3)cc2[N+](=O)[O-])C1 512640147 POLWKBHEDHGNKQ-QZTJIDSGSA-N 442.585 4.097 5 20 IIBD COc1ccc(NC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cc1Cl 515229253 UXDGRADEAVYLGN-INIZCTEOSA-N 435.864 4.461 5 20 IIBD CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 519050022 UITKCHRLNHLIBV-OAHLLOKOSA-N 435.484 4.084 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc(-c2ccco2)nn1-c1ccc(Cl)cc1 522964544 ZXFPDKRRMLOIAS-UHFFFAOYSA-N 440.847 4.228 5 20 IIBD CC[C@@H]1c2ccsc2CCN1C(=O)COc1ccc(Br)cc1[N+](=O)[O-] 525626105 DOUOGQZHTZQJGD-CYBMUJFWSA-N 425.304 4.334 5 20 IIBD O=C(Nc1cccc(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1)c1cccnc1 525705205 CJDXVODOMQNTFU-UHFFFAOYSA-N 444.369 4.191 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 532878300 WMAJNMDSOYXWIE-UHFFFAOYSA-N 445.541 4.040 5 20 IIBD C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1NS(=O)(=O)c1cccs1 533150913 SQBKKKDMGLBCEO-LBPRGKRZSA-N 449.485 4.087 5 20 IIBD CCC1(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCOCC1 534922517 VVYLTPDSWRJXHN-UHFFFAOYSA-N 434.496 4.065 5 20 IIBD CC[C@@H](C)n1c(SCC(=O)NCCc2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1 535445707 HOTIHHJSPRJBSH-MRXNPFEDSA-N 439.541 4.275 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2ccccc2)[C@H]1C 535667100 ZLASPBUMNYVRPZ-QAPCUYQASA-N 428.510 4.268 5 20 IIBD Cn1cc(CNc2ccc(CS(=O)(=O)C(C)(C)C)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 536104262 YBOODKOYAMXPHY-UHFFFAOYSA-N 442.541 4.321 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2ccccc2COCc2ccccc2)s1 536688137 NTIRTAPCPLNMOK-UHFFFAOYSA-N 432.523 4.389 5 20 IIBD CN(C)c1nccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)n1 537219587 KLVIIFLLUQUMQA-UHFFFAOYSA-N 443.916 4.185 5 20 IIBD NC(=O)c1ccc(SCC(=O)Nc2ccc(COc3ccccc3)cc2)c([N+](=O)[O-])c1 539134097 ZSDCNSUQADFFAV-UHFFFAOYSA-N 437.477 4.004 5 20 IIBD CCOc1cccc([C@@H]2C[C@@H]2NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 540504636 YNJUIXAINJQVNJ-VXKWHMMOSA-N 425.485 4.102 5 20 IIBD O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 540632233 JDADUBWWUIIZIH-CYBMUJFWSA-N 443.809 4.198 5 20 IIBD COc1ccc(NC(=O)C(=O)N2CC=C(c3cccc4ccccc34)CC2)cc1[N+](=O)[O-] 541177907 SONAFQWHXKUGTO-UHFFFAOYSA-N 431.448 4.011 5 20 IIBD CC[C@@H]1Oc2cc([C@@H](C)NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])ccc2NC1=O 541262528 MONAHZGHLKGWFG-BZNIZROVSA-N 449.916 4.327 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C)c1nccs1 541625307 PMYLBKAOIAEABA-CYBMUJFWSA-N 448.526 4.076 5 20 IIBD COc1ccc(NC(=O)CN[C@H](C)c2sc(-c3ccccc3)nc2C)c([N+](=O)[O-])c1 541661380 HVHHRPIDLQECDC-CYBMUJFWSA-N 426.498 4.325 5 20 IIBD COc1ccc(NC(=O)C(=O)N(C)[C@H](C)c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] 543001307 LOTOMZPBCZCHOI-MRXNPFEDSA-N 433.464 4.429 5 20 IIBD COC(=O)C[C@@H](NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccc(C(F)(F)F)cc1 543459889 GKKLDFYAWDKKCU-PIGZYNQJSA-N 442.365 4.277 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)NCc2cn3cc(Br)cc(C)c3n2)cc1[N+](=O)[O-] 543694450 CDBRTCXLEWNIAQ-CYBMUJFWSA-N 446.305 4.182 5 20 IIBD Cn1nc(-c2ccccc2)nc1Cc1noc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1 545135453 IGTMMWRGFWZUAF-UHFFFAOYSA-N 445.464 4.155 5 20 IIBD O=c1oc2cc([N+](=O)[O-])ccc2n1CCCc1nc(Cc2cccc(C(F)(F)F)c2)no1 546260039 YLRIGOINZGYWKS-UHFFFAOYSA-N 448.357 4.128 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 546778252 WUVBKWRVAMQKHI-KRWDZBQOSA-N 447.513 4.354 5 20 IIBD C[C@H](CCc1ccccc1[N+](=O)[O-])Nc1cccc(C(=O)N2CCCC[C@H]2CCO)c1 547361279 MDZKEOQQQOHCED-GCJKJVERSA-N 425.529 4.405 5 20 IIBD CC(C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 551767574 BIKOUPSASUQGTI-TZMCWYRMSA-N 426.311 4.017 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)Oc2cc(F)cc(F)c2)cc1SC 552580698 SLWULIMGZWKRFA-UHFFFAOYSA-N 426.441 4.191 5 20 IIBD C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 553779208 RYWMAFZYYZXAOK-CYBMUJFWSA-N 438.402 4.017 5 20 IIBD CCC[C@]1(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCOC1 557616429 DCRCVXLRGSXTAE-DEOSSOPVSA-N 434.496 4.065 5 20 IIBD CC(C)c1noc(Cc2ccc(NS(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)n1 559154622 KOHPHOOCJVTFDG-UHFFFAOYSA-N 436.877 4.146 5 20 IIBD Cn1ccnc1[C@@H](NCc1cc2cc(Br)ccc2[nH]1)c1cccc([N+](=O)[O-])c1 560549845 QBLPXAWNQCXTOP-IBGZPJMESA-N 440.301 4.451 5 20 IIBD Cc1c(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)cnn1Cc1ccccc1 561167642 SYCBMGCTQYZDSZ-UHFFFAOYSA-N 432.402 4.353 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 561698161 ZYQVPNFOUWYGQU-QFIPXVFZSA-N 428.920 4.056 5 20 IIBD C[C@@H](SCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)Nc1ccc2c(c1)OCO2 561743532 ORZBMZKUSVURGM-GFCCVEGCSA-N 427.438 4.239 5 20 IIBD Cc1ccc2nc([C@H]3CCCN(c4ccc([N+](=O)[O-])c(C(=O)N5CCCC5)c4)C3)[nH]c2c1 569278629 BEAUJBPVRZPRKR-KRWDZBQOSA-N 433.512 4.400 5 20 IIBD O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@H]1c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 569409170 RDFXNIBQYAOQLC-INIZCTEOSA-N 448.266 4.248 5 20 IIBD CC(C)Oc1ccc(Cl)cc1NC(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 569653348 NYCJYUAGZCRWKA-UHFFFAOYSA-N 433.892 4.113 5 20 IIBD O=C(Nc1ccccc1-c1ncc2n1CCCC2)c1ccn(-c2ccccc2[N+](=O)[O-])n1 584060030 COQHCWCJYTVCQJ-UHFFFAOYSA-N 428.452 4.233 5 20 IIBD C[C@H](C(=O)Nc1ccc(NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)n1cncn1 600850820 BZSQAMUJEOUIJI-GFCCVEGCSA-N 434.378 4.017 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)cc1OC 604003835 HGDXINLEMYJOSH-UHFFFAOYSA-N 449.891 4.294 5 20 IIBD CCOc1ccc(C(=O)N2CCC([C@H](CC(=O)O)c3ccccc3)CC2)cc1[N+](=O)[O-] 604498295 GTRGCMFWAUVVHK-LJQANCHMSA-N 426.469 4.104 5 20 IIBD COc1nc(C)cc(C)c1CNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 608971746 QRWIKVNJLGTARQ-UHFFFAOYSA-N 429.420 4.043 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc1C 608980167 TUTVXCQTPOACAK-QGZVFWFLSA-N 445.324 4.281 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)Cc1ccccc1C(F)(F)F)c1ccccc1[N+](=O)[O-] 609160701 MLFIPCRXEQVKJP-QGZVFWFLSA-N 438.402 4.355 5 20 IIBD CC[C@@H]1CN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 609531613 YMNMNPZZUHIQLG-VGOFRKELSA-N 434.496 4.016 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1cccc(CSC2CCOCC2)c1 609705966 ZGBQBEKEKIRJJC-UHFFFAOYSA-N 442.946 4.461 5 20 IIBD O=c1cc(CSCc2ccc(Cl)cc2[N+](=O)[O-])nc2ccc(Br)cn12 609712005 HFYVIVTTWHWEIG-UHFFFAOYSA-N 440.706 4.452 5 20 IIBD O=C(NC1CCCC1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 610041497 SYIJGZQOYRJEGB-UHFFFAOYSA-N 432.274 4.282 5 20 IIBD COc1ccc(N(Cc2ccco2)C(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cc1F 610069784 VOLWOGLCJFWFGS-UHFFFAOYSA-N 437.383 4.436 5 20 IIBD COc1ccc(CSCC(=O)N2CCC(OCc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] 611266364 DGIUNFOYTYEHMK-UHFFFAOYSA-N 448.516 4.184 5 20 IIBD O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611295205 ABPMFBBQTCXFID-MRXNPFEDSA-N 439.537 4.444 5 20 IIBD COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Br)c(C(F)(F)F)c1 726511110 NEGPGXFPXFXTOM-UHFFFAOYSA-N 433.180 4.315 5 20 IIBD Cc1cc(C(F)(F)F)c(N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)nn1 727434038 BLMNAPPKHIOSOF-UHFFFAOYSA-N 435.328 4.057 5 20 IIBD C[C@@H](OC(=O)c1cc(F)c(Cl)nc1Cl)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 727521779 RBUASEFUHUKSBH-SSDOTTSWSA-N 427.175 4.404 5 20 IIBD CCSc1ccc(C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)cn1 727784877 IDUMJTUPMNXABR-UHFFFAOYSA-N 427.486 4.203 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1 728006047 PPKZUNQPOXIXKF-UHFFFAOYSA-N 436.443 4.233 5 20 IIBD CC(C)(C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc(F)cc1 728647434 DCTXGPZRXHGLLY-UHFFFAOYSA-N 428.338 4.212 5 20 IIBD CN(CC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1)C(=O)OC(C)(C)C 728941062 MMYUAKHAFDXYGG-UHFFFAOYSA-N 426.901 4.359 5 20 IIBD C[C@H](OC(=O)c1ccc(Cl)c(Cl)c1O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 730358970 GBYPYQHBDNPTDO-ZETCQYMHSA-N 433.631 4.445 5 20 IIBD O=C(NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccc(Cl)cc2)cc1F 730394354 HRSMCEMCSNRTII-UHFFFAOYSA-N 448.859 4.314 5 20 IIBD O=C(O[C@H]1CCCN(C(=O)c2ccccc2Cl)C1)c1cc2cc([N+](=O)[O-])ccc2o1 732610335 QGNCJYTZJAPMCP-HNNXBMFYSA-N 428.828 4.456 5 20 IIBD CO[C@@H](CN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C(F)(F)F 733323073 DQSKXJSQTGTXAX-HOTGVXAUSA-N 431.798 4.095 5 20 IIBD Cc1cc(OC(F)F)c(C(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)s1 734082090 VVVNDPDUOOSKNT-UHFFFAOYSA-N 427.429 4.035 5 20 IIBD C[S@](=O)Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)ccc1Cl 734401273 CAPZKTRBOKWGTC-LJAQVGFWSA-N 435.933 4.369 5 20 IIBD CC(=O)N(Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1)C(C)C 735020520 YPNQBSYCZCZGBM-UHFFFAOYSA-N 434.290 4.367 5 20 IIBD Cc1cc2oc(=O)cc(COC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])c2cc1C 735150162 YYSRKBVQRRJZDG-UHFFFAOYSA-N 431.828 4.484 5 20 IIBD Cc1nn(Cc2ccc(Cl)cc2)c(C)c1/C=C1/N=C(c2cccc([N+](=O)[O-])c2)OC1=O 740774502 ZLHWFXWLLPGFOD-RGVLZGJSSA-N 436.855 4.454 5 20 IIBD C[C@H]1CN(c2nc3ccc([N+](=O)[O-])cc3s2)CCN1C(=O)Cc1cccc(Cl)c1 742426425 UTDSQQISIJQBSO-ZDUSSCGKSA-N 430.917 4.138 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC4(CCCC4)C3)cc2)cc1[N+](=O)[O-] 742878315 NJUMXLNFSVODGB-UHFFFAOYSA-N 443.525 4.110 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)C2(c3cccc(Br)c3)CC2)cccc1[N+](=O)[O-] 744658012 OOTRIZAOBVVRDQ-CYBMUJFWSA-N 447.285 4.268 5 20 IIBD Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 745764305 IYTRBHCAVHCQJQ-HUUCEWRRSA-N 443.475 4.178 5 20 IIBD C[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H](O)c1c(F)cccc1Cl 748392400 VWVHBBSLKRITMK-QGHHPUGFSA-N 435.864 4.363 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c(OC[C@H]2CCCO2)c1 748630574 OMFHKABQZMTLAY-OAHLLOKOSA-N 429.429 4.238 5 20 IIBD CC(=O)c1ccc(N2CCC(OC(=O)c3ccc(Br)cc3[N+](=O)[O-])CC2)cc1 751171028 BGQUYVVHNHOPAA-UHFFFAOYSA-N 447.285 4.386 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(C3CCCCC3)s2)cc1Br 752196998 JKVFAKDULDVZJS-UHFFFAOYSA-N 447.336 4.057 5 20 IIBD Cc1cc(F)cc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)c1[N+](=O)[O-] 753094830 QIVAOQCDLNMNBP-UHFFFAOYSA-N 431.427 4.220 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N[C@@H]1CCOc2c1ccc(Cl)c2Cl 754067634 RXMQNEXDMAPABZ-GFCCVEGCSA-N 444.658 4.134 5 20 IIBD COc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c1 755208949 XBODHKNQNUSYEM-XMMPIXPASA-N 445.475 4.461 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccc([N+](=O)[O-])n2C)c2ccccc2)cc1Cl 761047278 FDOLTZKJLBZCGM-IBGZPJMESA-N 427.844 4.432 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N1CCC2(CCOC2)CC1 761059751 RCBKQKYWLCMVAV-HXUWFJFHSA-N 429.904 4.431 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2ccc([N+](=O)[O-])c(Cl)c2)cc1 761520368 CNSUFJOVIDLUFD-CQSZACIVSA-N 425.938 4.130 5 20 IIBD C[C@H](C(=O)Nc1cnc2c(c1)C[C@H](NC(=O)OC(C)(C)C)CC2)c1cccc([N+](=O)[O-])c1 762234840 FDZNEHGSFPQUCL-WMLDXEAASA-N 440.500 4.114 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc2ccccc2n1 762454739 MFYBGUJYGTYFFU-UHFFFAOYSA-N 426.450 4.155 5 20 IIBD COCCc1noc(-c2cc(Cl)ccc2NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)n1 764282481 HSESNUTXKBCKOU-UHFFFAOYSA-N 437.239 4.393 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)NCc1cccnc1 765020878 MVUMRGXZJOHSNZ-IBGZPJMESA-N 432.480 4.127 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)cc1Cl 765650025 BMEDKRYRJHJZTR-KRWDZBQOSA-N 442.802 4.214 5 20 IIBD O=C(C[C@H]1CCCCCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cccs1 767860025 WAUQLPXBRDKKRN-CYBMUJFWSA-N 426.491 4.002 5 20 IIBD Cc1cc(S(=O)(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)cc([N+](=O)[O-])c1F 768272148 MVNQIFILZONWKY-GDLZYMKVSA-N 448.497 4.151 5 20 IIBD CCN(CC1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1)C(=O)OC(C)(C)C 768717061 QVCMAQJVEUPSID-UHFFFAOYSA-N 425.913 4.357 5 20 IIBD COC(=O)c1ccccc1-c1ccccc1C(=O)OCC(=O)Nc1c(C)cccc1[N+](=O)[O-] 769520957 DGDYTTHSCKFYIW-UHFFFAOYSA-N 448.431 4.152 5 20 IIBD NC(=O)c1sccc1NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 769702818 OAQJKJOMZJZJLO-UHFFFAOYSA-N 430.873 4.273 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)OCc2ccccc2)c1 770669210 BLKOONXSLYUUBE-SNHGZMDHSA-N 440.521 4.205 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@H](c2nc(-c3cnn(-c4cccc(Cl)c4)c3)no2)C1 771279914 MZDWDUPHRCCXMP-SFHVURJKSA-N 436.815 4.350 5 20 IIBD C[C@@H]1COCCCN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 773143018 IFZPLYAMEQYUDD-LJQANCHMSA-N 437.540 4.305 5 20 IIBD O=C(Nc1cccc(C2SCCS2)c1)c1cccc([N+](=O)[O-])c1N1CCOCC1 776292338 IXOPEEWSCVNWLR-UHFFFAOYSA-N 431.539 4.162 5 20 IIBD O=C(O)C[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(Cl)c1 776672935 LUZPXSYCLLNCEU-HNNXBMFYSA-N 431.857 4.318 5 20 IIBD CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 780548895 ATCZYVQMCQWLSZ-QGZVFWFLSA-N 435.524 4.153 5 20 IIBD C[C@@H](OC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)ccc2n1C 781714257 ZQLUUFOOEHEQFK-LLVKDONJSA-N 432.820 4.280 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCc1ccc(F)c(Br)c1 781738531 YDIYNDYSZDTZDH-UHFFFAOYSA-N 427.182 4.081 5 20 IIBD CC(C)(C)[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)cc1F 783334476 HPCKHBQWJLYRDB-MRXNPFEDSA-N 425.819 4.369 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)NCc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 784693287 LQCOBJSMQGUHPL-UHFFFAOYSA-N 448.317 4.218 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)c1nc(C(F)(F)F)cs1 785395658 FCLYXIVMXDWSNR-SSDOTTSWSA-N 429.829 4.071 5 20 IIBD C[C@H](OC(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)C(=O)N1CCNC1=O 785639261 IAIBUBKQTLGEMA-HNNXBMFYSA-N 442.471 4.030 5 20 IIBD C[C@H](NCc1ccccc1CN1CCN(c2ccccc2)CC1)c1ccc(N)c([N+](=O)[O-])c1 788523645 BHDVYTOYQNMLOX-FQEVSTJZSA-N 445.567 4.350 5 20 IIBD CCOc1cc(NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)c([N+](=O)[O-])cc1OCC 790627229 GZWAKQODJVBNJY-LJQANCHMSA-N 439.468 4.295 5 20 IIBD O=C(N[C@@H]1CCc2nc(C3CCCCC3)[nH]c2C1)c1cc([N+](=O)[O-])ccc1N1CCCC1 791271487 IYGQYDGUHDRNOB-QGZVFWFLSA-N 437.544 4.253 5 20 IIBD Cc1ccc(C)c(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c1 792472501 AAVNISUNAFVNTK-ZDUSSCGKSA-N 435.274 4.467 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1-c1cccs1 795068560 RZOKKJKPFGJTSO-UHFFFAOYSA-N 436.423 4.008 5 20 IIBD CCO[C@@H](C)c1nc(CN2CCN(c3ccc(C(=O)CC)cc3[N+](=O)[O-])CC2)cs1 795103430 VZGZHDCDDSAVKQ-HNNXBMFYSA-N 432.546 4.064 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)[C@H](C)Oc2ccc3ccccc3c2)c([N+](=O)[O-])c1 795726106 ACVHHJCTJBTICO-HNNXBMFYSA-N 438.436 4.096 5 20 IIBD COc1c(C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cccc1[N+](=O)[O-] 796309524 PAGSRRKNKOYPPR-UHFFFAOYSA-N 433.631 4.359 5 20 IIBD CCCN1CCN(c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c(OCC)c2)CC1 798240034 AMEOZUMBNRAXSL-UHFFFAOYSA-N 446.935 4.431 5 20 IIBD CC(C)[C@H](NC(=O)COC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 802652824 KKAWSQJWMJTMCQ-XOBRGWDASA-N 434.489 4.271 5 20 IIBD C[C@H](c1ccccc1)n1cnn(CNNc2cc([N+](=O)[O-])ccc2Br)c1=S 802740694 HMCRJCZNRIISDI-GFCCVEGCSA-N 449.334 4.268 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H](Nc1nc(O)c2cc([N+](=O)[O-])ccc2n1)C1CCCCC1 804447250 ZTFUUOYRZZUPBW-QGZVFWFLSA-N 431.493 4.129 5 20 IIBD C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1nccn1-c1ccccc1 809847296 PHTRNRKPSYESJM-NSHDSACASA-N 441.296 4.127 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1nn(Cc2ccccc2)c(=O)c2ccccc12 813242626 BLGCUIPLTCABHQ-UHFFFAOYSA-N 434.839 4.259 5 20 IIBD COc1ccc(COC(=O)C2CCN(c3noc4ccc(Cl)cc34)CC2)cc1[N+](=O)[O-] 815372670 VBXDZYKJOTZTNT-UHFFFAOYSA-N 445.859 4.358 5 20 IIBD Cc1cccc(C(=O)Nc2ccccc2C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 847383830 KWJDIVYRHRXTSL-INIZCTEOSA-N 447.447 4.340 5 20 IIBD CCc1c(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1-c1ccc(C)cc1 914639334 HMNQQSUQYXXPSB-UHFFFAOYSA-N 433.424 4.058 5 20 IIBD O=C(Nc1ccc(N2CCc3sccc3C2)nc1)c1cc([N+](=O)[O-])ccc1N1CCCC1 918537851 ZLXYKBDVKVAYHP-UHFFFAOYSA-N 449.536 4.467 5 20 IIBD Cc1ccc(S(=O)(=O)N(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c2ccc(O)cc2)s1 920152660 VXJHHJFYXDDCCL-LFYBBSHMSA-N 444.490 4.106 5 20 IIBD Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)OC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 920780352 YUIAFFFRFJZMRN-ZNMIVQPWSA-N 434.876 4.133 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(COC3CCCCC3)c2)c([N+](=O)[O-])c1 921164402 BCOAEBLZVLFIHW-UHFFFAOYSA-N 435.458 4.153 5 20 IIBD O=C(NC1CCC2(CCOCC2)CC1)c1cc(Br)cc([N+](=O)[O-])c1Cl 1116413308 IYUOGLUJXBDHEN-UHFFFAOYSA-N 431.714 4.480 5 20 IIBD COc1cc(C(=O)O[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)ccn1 1317952098 NLJMWNHLJOEZDE-LJQANCHMSA-N 441.827 4.189 5 20 IIBD CCn1c(CN=c2c([N+](=O)[O-])c[nH]c3ccc(Br)cc23)nc2ccccc21 1318442059 OCTXHHAJDDXTJC-UHFFFAOYSA-N 426.274 4.309 5 20 IIBD CCOc1ccc2c(c1)CN(Cn1nc(-c3ccc([N+](=O)[O-])cc3)n(CC)c1=S)CC2 1319749675 KORXHIAAWMIIHG-UHFFFAOYSA-N 439.541 4.424 5 20 IIBD COc1cccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])o4)CCC3)cc2)c1 1787754645 TWVFRFJVQOTALX-UHFFFAOYSA-N 449.463 4.187 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])c(C(=O)NC2(c3ccc(NC(=O)C(C)(C)F)cc3)CCC2)c1 1787942347 RADOTKIAOGKTQF-UHFFFAOYSA-N 442.491 4.157 5 20 IIBD CC(C)(C)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 1795477005 SJVRDHQMOWTFGG-MUJYYYPQSA-N 429.542 4.498 5 20 IIBD Cc1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(C)CCC3)[nH]n2)cc1[N+](=O)[O-] 1820915889 FFNJTDDSHMOTHB-GOSISDBHSA-N 439.516 4.051 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2C2CC2)[nH]n1 1823500840 HKYLSGJDZCPCBA-KVWRDYLNSA-N 449.511 4.070 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@]2(C)C[C@@H]2C)CC1 1830734128 YUZSZNQBQGYOMV-VNJOCVIMSA-N 445.535 4.322 5 20 IIBD CCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 1831293487 DZGGFWQXCDCCFX-OAQYLSRUSA-N 447.551 4.332 5 20 IIBD COc1ccc(Nc2nnc(S[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])s2)cc1 10786664 MHIYDXZDTQEMIT-NSHDSACASA-N 431.499 4.318 5 20 IIBD C[C@@H](OC(=O)c1ccccc1C(=O)c1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 11024572 CDAOCVLNSKTUJD-CQSZACIVSA-N 436.395 4.149 5 20 IIBD O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 15316600 FQZSOFQJPDJQMA-UHFFFAOYSA-N 429.782 4.356 5 20 IIBD O=C(CCCc1ccc(Br)s1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 15759427 VVULETMQUZLWQC-UHFFFAOYSA-N 438.347 4.090 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1ccc([N+](=O)[O-])cc1Cl 16014852 IRHGMQZNRANOHJ-UHFFFAOYSA-N 445.819 4.257 5 20 IIBD CCCCSc1nnc(S[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])s1 17110844 CFGUYDYVQLOFNE-JTQLQIEISA-N 428.561 4.466 5 20 IIBD C[C@H]1CCCC[C@H]1NC(=O)COc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1 21283816 FNKKHFXDURJXHX-YCRPNKLZSA-N 436.464 4.442 5 20 IIBD COCCn1c(SCCC(=O)Nc2ccc([N+](=O)[O-])cc2)nc2cc(Cl)ccc21 26407811 BWRNBUJUUUUEID-UHFFFAOYSA-N 434.905 4.365 5 20 IIBD O=C(COC(=O)CCC(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1[N+](=O)[O-] 28300708 OAQWYRWGSKXDKY-UHFFFAOYSA-N 425.224 4.046 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccccc2OCCc2ccccc2)cc1[N+](=O)[O-] 32631569 DKHJFOQSYYJTFA-UHFFFAOYSA-N 428.466 4.026 5 20 IIBD COc1ccc2cc(C(=O)N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)[nH]c2c1 46728597 GDPJPWKAVNXOAQ-UHFFFAOYSA-N 448.401 4.066 5 20 IIBD CN(C)c1ccc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c(C(F)(F)F)c1 58133083 IYXZOARZAXLRBK-UHFFFAOYSA-N 437.422 4.034 5 20 IIBD COc1ccc(CCNc2nnc(SCc3ccccc3[N+](=O)[O-])s2)cc1OC 58170842 MHYZXBCVVOBMLT-UHFFFAOYSA-N 432.527 4.410 5 20 IIBD COc1ccc(C(=O)Nc2cc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)ccc2C)cc1[N+](=O)[O-] 59776038 VJQUCEFLFZETMJ-GASCZTMLSA-N 425.485 4.282 5 20 IIBD CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 71928720 LAIQSNNBHBXFON-QGZVFWFLSA-N 438.528 4.112 5 20 IIBD Cc1cc(C(=O)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)c(C)n1CCc1ccccc1 72066356 YGGWKSGAAPEJPD-UHFFFAOYSA-N 429.480 4.397 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(SC(F)F)cc2)cc1OC 105341089 RMUQEUXAAVJWSS-UHFFFAOYSA-N 428.413 4.196 5 20 IIBD CCCCc1c(C)nc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)nn2c1C 108244572 BNSUELYYGFYOHY-UHFFFAOYSA-N 428.518 4.031 5 20 IIBD CCc1cc(N2CCC(C(=O)Nc3ccccc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 108851021 GCOACLCPWQWKDI-UHFFFAOYSA-N 431.496 4.469 5 20 IIBD CCOc1ccc(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)cc1[N+](=O)[O-] 108926477 NTUUQMBGCSQUDR-AWEZNQCLSA-N 448.317 4.012 5 20 IIBD CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 109885960 RPUSPQCSLNTYKL-AWEZNQCLSA-N 434.899 4.020 5 20 IIBD CC(C)[C@H](CNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)N1CCN(C)CC1 236690165 HJCKBTPDXKGIEK-NRFANRHFSA-N 446.979 4.402 5 20 IIBD CN(C)S(=O)(=O)c1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 237121058 OWNRTISGLYRGLL-UHFFFAOYSA-N 449.916 4.048 5 20 IIBD COc1cc(CNc2cccc(N3CCCC3=O)c2)c([N+](=O)[O-])cc1OCC(F)(F)F 237235414 MZBPRDCOUPLJDI-UHFFFAOYSA-N 439.390 4.283 5 20 IIBD O=C(NCCCNc1ccc([N+](=O)[O-])c2cnccc12)c1cccc(Br)c1 301176336 ZBCMDOFZRHDTOY-UHFFFAOYSA-N 429.274 4.138 5 20 IIBD O=C(c1ccc(-c2nc3ccccc3s2)o1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 301193844 DBQCWBOZSJDOPL-UHFFFAOYSA-N 434.477 4.427 5 20 IIBD Cc1cc(N2CCC[C@@H](CNC(=O)c3ccccc3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 301554561 RWQUQNBSLQPASK-SFHVURJKSA-N 431.496 4.007 5 20 IIBD Cc1nc(-n2cc(Br)c(=O)c([N+](=O)[O-])c2)c2c(-c3ccccc3)csc2n1 301657928 IJLAMSLQYASSRZ-UHFFFAOYSA-N 443.282 4.488 5 20 IIBD O=[N+]([O-])c1cncc(Br)c1N1CCO[C@H](c2ccc(Br)cc2)C1 301843304 RGYOZDGAZGLJTD-AWEZNQCLSA-N 443.095 4.093 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cccc3c(=O)n(C)ccc23)cc1 410373749 XRVLMRJVGRVEPJ-UHFFFAOYSA-N 445.431 4.500 5 20 IIBD CCN(Cc1ccc(OC)c(OC)c1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 426267882 QQKJVZVVIPVVJU-UHFFFAOYSA-N 441.406 4.363 5 20 IIBD O=C(O)[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1cc(F)cc(C(F)(F)F)c1 426731102 COMMRRVMFNOGHB-QGZVFWFLSA-N 425.338 4.020 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N(Cc1cccs1)C[C@H]1CCCO1 426983176 NCYXTWMQHLPUEK-OAHLLOKOSA-N 425.304 4.240 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(-c2ccc(F)cc2Cl)n1 427651063 MZAJZTGDZPCCFX-UHFFFAOYSA-N 437.836 4.259 5 20 IIBD CC(C)(C)Oc1ccccc1NC(=O)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 427869631 YAVLIZPLVDMARV-UHFFFAOYSA-N 439.390 4.046 5 20 IIBD COc1ccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1N1CCCCC1=O 431069817 HWINSZWHKGIOSD-UHFFFAOYSA-N 426.473 4.177 5 20 IIBD O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1cncc(-c2ccc3c(c2)CCO3)c1 432687027 XNSPCGKIELHDPE-UHFFFAOYSA-N 427.420 4.030 5 20 IIBD Cc1cc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)ccc1Oc1cccnc1 437058555 DXZNDFJPLJHYJN-UHFFFAOYSA-N 446.463 4.220 5 20 IIBD CCC1CCC(N(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C2CC2)CC1 437351302 YAGNGZSOHOCYOO-UHFFFAOYSA-N 425.432 4.095 5 20 IIBD Nc1ccc(-c2noc([C@@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)n2)cc1[N+](=O)[O-] 438243100 HFOGGJBBYMOFTP-NSHDSACASA-N 434.239 4.054 5 20 IIBD COc1cc(-c2nc(-c3ccc(OCc4cccnc4)cc3)no2)cc([N+](=O)[O-])c1OC 438733568 JSSHCYUKQQLSTK-UHFFFAOYSA-N 434.408 4.303 5 20 IIBD CCOc1ccccc1CN1CCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)[C@@H](C)C1 441670378 ALXHRNDQBXAAJB-KRWDZBQOSA-N 426.517 4.349 5 20 IIBD CCO[C@H]1C[C@H](NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C12CCCC2 444112793 DANDRMHAVXKGIS-OALUTQOASA-N 426.463 4.427 5 20 IIBD CC(C)N1CCc2nc(NC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)sc2C1 444302522 JNVFHGGRTXJQIA-UHFFFAOYSA-N 436.512 4.296 5 20 IIBD CCSc1cc(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)ccn1 444329170 OAZHQLXGQAHXKJ-UHFFFAOYSA-N 425.460 4.397 5 20 IIBD Cc1sc(NS(=O)(=O)Cc2c(F)cccc2F)nc1-c1cccc([N+](=O)[O-])c1 446820212 ZUJZTIIQBDFNJL-UHFFFAOYSA-N 425.438 4.247 5 20 IIBD Cc1cc(F)cc2c1CN(c1nnc(-c3ccc([N+](=O)[O-])cc3)n1C[C@@H]1CCCO1)CC2 461057454 YWWPXTWLZHWPCB-FQEVSTJZSA-N 437.475 4.043 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nnc(Cc2cccc(OC)c2)s1 462492368 VRTRHBJFFCHWTM-INIZCTEOSA-N 426.498 4.253 5 20 IIBD CCOC(=O)Cn1ccc2cc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc21 463632276 XPWRQKKFAFWLEL-UHFFFAOYSA-N 435.358 4.384 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](C)CCc1ccc(OC(C)C)cc1 464026256 QYQSKZGWBXNMKF-MRXNPFEDSA-N 427.501 4.075 5 20 IIBD C[C@@H](NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C(c1ccccc1)c1ccccc1 465025348 HXORWGIRULNFNG-QGZVFWFLSA-N 432.476 4.245 5 20 IIBD Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 466806025 ZDQMKSKZXJWNLT-GFCCVEGCSA-N 435.267 4.802 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSCc1nnc(-c2ccccc2)s1 467307536 KZAFUKARXQNVGR-UHFFFAOYSA-N 428.495 4.345 5 20 IIBD CCOC(=O)c1cc(N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)ccc1[N+](=O)[O-] 467783854 GSXDMUABIPFVAJ-HNNXBMFYSA-N 440.431 4.345 5 20 IIBD CCc1nn(-c2ccccc2)c(CC)c1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 468483242 HSDPKCYPNFNEEQ-UHFFFAOYSA-N 431.496 4.246 5 20 IIBD C[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@@H]1c1ccc(C(F)(F)F)cc1 472615613 ZMXMAJYKCBAMJC-DIFFPNOSSA-N 439.365 4.301 5 20 IIBD COc1cc(C(=O)N2CCCC[C@H]2[C@@H](C)O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 476208062 UWLBGECEGSXJRE-CJNGLKHVSA-N 434.876 4.425 5 20 IIBD Cc1cc(F)c(Br)cc1NC(=O)c1cc([N+](=O)[O-])ccc1SCCO 476456606 GJHUANXUVUIYPT-UHFFFAOYSA-N 429.267 4.142 5 20 IIBD CN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 480434561 HRZFLMJZUGQACS-ICSRJNTNSA-N 434.279 4.042 5 20 IIBD CCn1nccc1N1CCC[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O 480468645 LLAIUGYQYMVOPQ-GOSISDBHSA-N 443.891 4.010 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N[C@@H](CO)c2ccccc2OC(F)(F)F)c1Br 480827769 NKIIXLISVAVZNP-JTQLQIEISA-N 436.184 4.105 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 481903767 YDVLECUTJWAXEA-QPPBQGQZSA-N 432.524 4.063 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](CO)c1ccc(Cl)cc1C(F)(F)F 483251681 FDZITKYUJZCEIZ-QGZVFWFLSA-N 445.825 4.227 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCCCC[C@H]2c2c(C)n[nH]c2C)c(C)c([N+](=O)[O-])c1 486881658 HCTAQQICTUOZBN-KRWDZBQOSA-N 429.477 4.179 5 20 IIBD C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 487131871 VNQZTYDVKRFUBB-OXQOHEQNSA-N 430.936 4.001 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1[N+](=O)[O-] 488053790 UMLMWMHDRRDJOY-MRXNPFEDSA-N 439.493 4.195 5 20 IIBD COC(=O)c1cc(NC(=O)c2cccc(-n3nccc3C(F)(F)F)c2)c(C)c([N+](=O)[O-])c1 489753009 LUVAZNOZFIAMEG-UHFFFAOYSA-N 448.357 4.147 5 20 IIBD COc1cccc([C@@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)N2CCCC2)c1 489841776 QPTZQZSJYHVSHT-HSZRJFAPSA-N 438.528 4.115 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(-c2ccc3c(c2)OCCO3)s1 490368272 NRNZTINNPKQQRI-UHFFFAOYSA-N 449.448 4.132 5 20 IIBD CC(C)Oc1ccc(-c2cccc([C@H](C)N(C)C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)c2)cc1 490565824 KZXGEQPKLWMLQD-SFHVURJKSA-N 449.507 4.430 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1nnc(-c2ccco2)s1 491357872 DHIIHJHYNJUCSM-UHFFFAOYSA-N 430.389 4.456 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C 491586265 LPDYVPGOBUHNEH-CQSZACIVSA-N 445.541 4.193 5 20 IIBD O=C(Nc1cccc(S(=O)(=O)C2CCCCC2)c1)c1c[nH]c2cccc([N+](=O)[O-])c12 491891800 PCZUWJYZLVHOEM-UHFFFAOYSA-N 427.482 4.435 5 20 IIBD C[C@@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(N2CCCS2(=O)=O)c1 494516820 WEHHXYUATKUSLE-CYBMUJFWSA-N 443.447 4.004 5 20 IIBD C[C@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)CCOc3ccccc3[N+](=O)[O-])cc2)C1 495029608 VUUKGBQZHDRYFD-KDURUIRLSA-N 425.529 4.158 5 20 IIBD COCC1(CNC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CCC1 499508285 LUVINTCWQQKHQU-UHFFFAOYSA-N 428.510 4.094 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cc(C(F)(F)F)cnc3O)cc2[N+](=O)[O-])C1 499552787 NKFQRLAROJZWIJ-TXEJJXNPSA-N 438.406 4.449 5 20 IIBD COc1cc(CCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OC 499678757 SPWGDXVNKGZAPO-HUUCEWRRSA-N 439.295 4.381 5 20 IIBD CCCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@H](C)CC(=O)Nc1ccccc1 500600387 ADMQNMKPCCJDCP-GOSISDBHSA-N 438.528 4.465 5 20 IIBD COc1ccccc1COC1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 500692161 YVMBGBTYBFCAQR-UHFFFAOYSA-N 436.512 4.185 5 20 IIBD CCc1noc(C)c1C(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 500725259 KFWSATKEODRJOD-UHFFFAOYSA-N 440.525 4.140 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 502142634 SYMWENUEPUUELZ-INIZCTEOSA-N 438.459 4.495 5 20 IIBD Cc1cc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)nn1CCCOc1ccc(F)cc1 504327966 BVAYTOIKMRJDNP-UHFFFAOYSA-N 444.488 4.439 5 20 IIBD COc1ccccc1N1CC[C@@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 509704712 QGZMYMAXMKZCKH-IBGZPJMESA-N 426.517 4.050 5 20 IIBD COc1ccccc1-c1noc(C2CCN(Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)n1 510779102 JTCOKELYDZLDHJ-UHFFFAOYSA-N 430.411 4.311 5 20 IIBD COc1cc(C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3F)cs2)ccc1[N+](=O)[O-] 511505051 LVCARFFOKLSGOK-UHFFFAOYSA-N 430.417 4.077 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(Br)cc1Cl 512113088 PMFAZICISLZAHV-UHFFFAOYSA-N 426.698 4.395 5 20 IIBD C[C@@H]1CCC[C@H](OCCCCCC(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 514686744 JXOHAVXUSVGREX-UXHICEINSA-N 445.560 4.035 5 20 IIBD CCn1c(SCC(=O)NCc2ccccc2COC)nc2cc3ccccc3cc2c1=O 515425299 XFILJDWSSYUFTG-UHFFFAOYSA-N 447.560 4.125 5 20 IIBD C[C@H](Nc1ccc(C(=O)N(C)Cc2nc3ccccc3[nH]2)cc1[N+](=O)[O-])c1ccccn1 516599283 BGDCCSWPCLMOOQ-HNNXBMFYSA-N 430.468 4.311 5 20 IIBD C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 520514633 RTTVQIFPOOLKAB-CYBMUJFWSA-N 448.882 4.453 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCSC[C@@H]1c1ccc(Cl)cc1 522540874 KLXGPBUDWIORAO-LJQANCHMSA-N 428.901 4.364 5 20 IIBD Cc1ccc(C(C)C)c(Oc2ccc(CN[C@@H]3CCCS(=O)(=O)C3)cc2[N+](=O)[O-])c1 522892060 OLLAQBPSOCUIEI-GOSISDBHSA-N 432.542 4.486 5 20 IIBD C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)NC(=O)C1CCCCC1 524167879 WRSPPVVOWMBFGX-MRXNPFEDSA-N 437.496 4.239 5 20 IIBD CCCN(C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@H]1C[C@@H](OCC)C1(C)C 525377206 OCHDHHQDTYDBNP-DLBZAZTESA-N 430.448 4.261 5 20 IIBD COc1cc(C(=O)N[C@@H](c2ccccc2)c2nc3ccccc3n2C)cc([N+](=O)[O-])c1OC 525536834 OVXRRBLVXUBCKI-NRFANRHFSA-N 446.463 4.018 5 20 IIBD O=C(CSc1nnc(-c2ccco2)n1C1CCCCC1)NCc1ccccc1[N+](=O)[O-] 532457282 SGMXZQBZZYFSLE-UHFFFAOYSA-N 441.513 4.360 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 537638054 FMJPHZQEMIXVNW-KRWDZBQOSA-N 433.302 4.496 5 20 IIBD Cn1cnnc1-c1cncc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)c1 541598839 DXQORVDZAFXQOR-UHFFFAOYSA-N 438.513 4.320 5 20 IIBD CCCOc1cc(NC(=O)N(C)[C@H](C)C2CCN(C)CC2)c([N+](=O)[O-])cc1OCCC 541712769 BSRZYULZRPAOLF-MRXNPFEDSA-N 436.553 4.366 5 20 IIBD COc1ccc(OCCn2nc(-c3ccc(Br)cc3)nc2C)c([N+](=O)[O-])c1 542013330 QELMTFUDNGUCDH-UHFFFAOYSA-N 433.262 4.012 5 20 IIBD Cc1nc(-c2cc([C@H](C)NCCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cs2)cs1 542683959 ZCJQCUNVOYRCHT-LBPRGKRZSA-N 437.568 4.213 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CCCC[C@H]2CNC(=O)Nc2ccccc2)cc1[N+](=O)[O-] 543932101 UOTBWAKQDBEZPL-XLIONFOSSA-N 439.516 4.350 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2C)c1 544640563 XJFYFZVQRZLPGN-MRXNPFEDSA-N 445.541 4.335 5 20 IIBD Cc1c(-c2nc(Cc3ccccc3[N+](=O)[O-])no2)sc2nc3n(c(=O)c12)CCCCC3 544913640 ISXLEAUOBIIXDR-UHFFFAOYSA-N 437.481 4.042 5 20 IIBD COc1ccc(Cc2nc(Cc3c[nH]c4cc(Br)ccc34)no2)cc1[N+](=O)[O-] 545841104 NOZXPZSSAZODJU-UHFFFAOYSA-N 443.257 4.412 5 20 IIBD O=[N+]([O-])c1ccc(-n2cc(-c3nc(Cc4ccc(OC(F)(F)F)cc4)no3)cn2)cc1 546320454 JPRTWVGIZMVQBC-UHFFFAOYSA-N 431.330 4.320 5 20 IIBD CN1CCC(Oc2ccc(CNCc3csc(-c4cccc([N+](=O)[O-])c4)n3)cc2)CC1 551580475 LIWVPNFLVUWJSS-UHFFFAOYSA-N 438.553 4.481 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc4ccn(C)c(=O)c4c3)cc2[N+](=O)[O-])C1 552811027 GARYWVVQSQMDTI-HZPDHXFCSA-N 434.496 4.181 5 20 IIBD CNC(=O)c1cc(Oc2cccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2)ccn1 553446144 SHRUDZORSIUHDT-UHFFFAOYSA-N 426.816 4.047 5 20 IIBD COc1ccccc1O[C@@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 553597013 RHEUFZGQDPMBEB-CQSZACIVSA-N 435.274 4.050 5 20 IIBD C[C@@H](CN(C)C)NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 553789862 SVVBBMOTIHUYNE-LBPRGKRZSA-N 427.448 4.445 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccnc(OCC(F)(F)F)c1 554005245 ONFRMGRWHRKGAP-UHFFFAOYSA-N 427.382 4.130 5 20 IIBD CC[C@H](c1ccccc1)c1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C[C@@H]1CCOC1 555483685 CEJXRFAYIRRGIZ-GHTZIAJQSA-N 435.528 4.401 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H](C)Cc1ccccc1C(F)(F)F 558130937 QLSUMYCFFANBRV-CYBMUJFWSA-N 425.407 4.124 5 20 IIBD C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 566966323 PCNORPDIRDCLJF-RCDICMHDSA-N 446.419 4.208 5 20 IIBD Cn1ccc(-c2noc(Cc3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)n2)c1 568814135 SZIWCGHBEIGJKO-UHFFFAOYSA-N 426.436 4.427 5 20 IIBD O=C(Nc1cccc(NS(=O)(=O)Cc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1Cl 569014381 RZXMXWWPABVDAF-UHFFFAOYSA-N 445.884 4.442 5 20 IIBD C[C@H](c1cccc([N+](=O)[O-])c1)c1nc(CC(=O)Nc2ccccc2Br)no1 571446883 WGQTWMJLYUQKDV-LLVKDONJSA-N 431.246 4.073 5 20 IIBD CC(=O)NCC[C@@H]1CCCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 576608282 OUJMHCVIQDNCNI-SFHVURJKSA-N 441.553 4.433 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)c(C)c([N+](=O)[O-])c1 578002584 IZUKXQHJRYTHDP-SFHVURJKSA-N 437.456 4.244 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)C[C@H]2CCN(Cc3ccc(C)s3)C2)c1 582513440 FJKFZLDUHYQITK-GOSISDBHSA-N 431.558 4.023 5 20 IIBD CSc1ccc(C(=O)Nc2cccc(F)c2Cn2cccc(C)c2=O)cc1[N+](=O)[O-] 589093736 CAPIEICYAOJXMG-UHFFFAOYSA-N 427.457 4.227 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N(CCO)Cc1cccc(OCc2ccccc2Cl)c1 592502385 VVHUFRGNBQVKQY-UHFFFAOYSA-N 430.844 4.055 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cc(-c2nnc3n2CCCCC3)ccc1F 599821084 UMHXGTMZEXYUDS-UHFFFAOYSA-N 441.488 4.450 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1 603501348 JKANSBISYBSFIX-HUUCEWRRSA-N 445.541 4.131 5 20 IIBD Cn1c(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)nc2cc3ccccc3cc2c1=O 603562682 GSAAFGHSZJDTHO-UHFFFAOYSA-N 445.460 4.337 5 20 IIBD CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](c1ccccc1)N1CCc2sccc2C1 603930376 SMFVXFZEWPJEFT-OAQYLSRUSA-N 436.537 4.227 5 20 IIBD COc1ccc(CSCC(=O)NCc2cc(F)ccc2Br)cc1[N+](=O)[O-] 604006312 CQRRTWNSIUFHQM-UHFFFAOYSA-N 443.294 4.055 5 20 IIBD C[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1cccc([N+](=O)[O-])c1 604107954 BOOLTEQUANTPCE-AWEZNQCLSA-N 443.456 4.026 5 20 IIBD COc1ccc(COc2cccc(F)c2)cc1NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C 608806651 BFLFHYXNJWJVHO-UHFFFAOYSA-N 442.447 4.164 5 20 IIBD Cc1ccc(COc2ccc(C[C@@H](C)NC(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1 608922529 JPOCTMZGFYSETE-GOSISDBHSA-N 447.491 4.168 5 20 IIBD COC(=O)c1ccc2c(c1)CN(C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 609301242 ZTDXPAKEMMWJRT-UHFFFAOYSA-N 440.399 4.035 5 20 IIBD C[C@@H](NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C1CCN(C)CC1 609583419 HEVQTNCCJBVXSO-OAHLLOKOSA-N 430.936 4.320 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cnn(CC(F)(F)F)c3)cc2[N+](=O)[O-])C1 609816854 IJCHTTNNJOOFBD-CHWSQXEVSA-N 425.411 4.088 5 20 IIBD COC(=O)c1cc(NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)cc([N+](=O)[O-])c1 609905559 BLISGIMKZXJRGJ-UHFFFAOYSA-N 445.884 4.263 5 20 IIBD COc1ccc(CN[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 610271487 OXTQQWBKHKILBE-PMOQBDJRSA-N 426.513 4.476 5 20 IIBD CN(Cc1cn[nH]c1)[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 610662167 RCWPNGHVFQVQLN-HXUWFJFHSA-N 448.508 4.253 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H](CO)Cc3ccco3)o2)c(Br)c1 610871126 HBRVXCQYLXXUGK-ZDUSSCGKSA-N 435.274 4.151 5 20 IIBD C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)c1cc2c(cc1Br)OCCO2 611383555 WVORMMMQTTVFOQ-JTQLQIEISA-N 434.246 4.121 5 20 IIBD COc1ccc(CSCC(=O)N2Cc3cccc(Br)c3C2)cc1[N+](=O)[O-] 613689486 OHCSMQMQDBCBHE-UHFFFAOYSA-N 437.315 4.142 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1SC 728466068 DEODGTYNMBCMAD-BETUJISGSA-N 449.504 4.330 5 20 IIBD CCn1c(COC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])nc2c(F)cccc21 728623144 WWNSDPJHTIECLC-UHFFFAOYSA-N 441.337 4.402 5 20 IIBD Cc1cc(C(=O)NCc2ccccc2-c2ccc(Cn3cccn3)cc2)c(N)c([N+](=O)[O-])c1 729532731 RKIDGAKFNQXDIX-UHFFFAOYSA-N 441.491 4.327 5 20 IIBD C[C@@H](OC(=O)Cc1coc(-c2cccs2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 730055110 KOVJOJRECHVRTQ-SNVBAGLBSA-N 435.845 4.078 5 20 IIBD O=C(CCSc1ccccc1F)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730709347 VGVZVCYQNXSFBZ-OAHLLOKOSA-N 432.473 4.064 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1ccc(OCC(C)C)c(Cl)c1 731605951 LETRMQTUUIEAHC-UHFFFAOYSA-N 436.848 4.122 5 20 IIBD CC(C)(C)OC(=O)NC1(c2noc(CCCNc3ccc([N+](=O)[O-])cc3)n2)CCCC1 731800161 SBYUFKRUMSNCQT-UHFFFAOYSA-N 431.493 4.317 5 20 IIBD COc1ccc2c(c1)c(C(=O)OCCn1c([N+](=O)[O-])cnc1C)c(C)n2Cc1ccccc1 739153922 RRMSPTOFDOEJDU-UHFFFAOYSA-N 448.479 4.277 5 20 IIBD Cc1csc(-c2cccc(C(=O)O[C@@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c2)n1 740408754 WIBXNNAOOSTDJY-LBPRGKRZSA-N 429.429 4.350 5 20 IIBD CC(C)(C)OC(=O)NC1CCC(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 740483376 RBBATVGCGRRQCN-UHFFFAOYSA-N 434.537 4.053 5 20 IIBD C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 740803087 RFIZGFSZLNYXPX-HXUWFJFHSA-N 436.556 4.322 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 740818672 BNGRZQDVDCMJOW-GOSISDBHSA-N 433.892 4.173 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 741933884 BLRUNHUTFKOOQA-PXNSSMCTSA-N 449.891 4.225 5 20 IIBD CCC(CC)(CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)NC(=O)OC(C)(C)C 744678927 BYCYNSINEQZLHY-UHFFFAOYSA-N 434.537 4.008 5 20 IIBD O=C(CNc1ccccc1[N+](=O)[O-])OCc1ncc(-c2cccc(Br)c2)o1 744850878 JGHTVTHAGHEYST-UHFFFAOYSA-N 432.230 4.168 5 20 IIBD C[C@@H](C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(Br)s1 745643031 MVTDPHAGVRNSJV-SECBINFHSA-N 428.260 4.132 5 20 IIBD C[C@H](OC(=O)[C@H]1C[C@@]12CCCc1ccccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 745715017 GTHWGOKPFPORCD-OIAISFKWSA-N 428.872 4.413 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cc(F)cc(Br)c2)c(C(F)(F)F)c1 746668541 JCLRIXIPGQNWHK-UHFFFAOYSA-N 444.156 4.283 5 20 IIBD COC(=O)c1ccc([C@@H](OC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C(F)(F)F)cc1 747208638 CHJZOEYORWAWJE-QGZVFWFLSA-N 449.341 4.028 5 20 IIBD COc1ccc(N2C(=O)C3(CCCC3)N[C@@H]2c2cc(Cl)ccc2[N+](=O)[O-])cc1OC 747439433 AIFUISIWMZKRCJ-IBGZPJMESA-N 431.876 4.213 5 20 IIBD Cc1nn(Cc2ccc(Cl)cc2)c(C)c1Cn1c(C)nc([N+](=O)[O-])c1Br 751139309 DJFDBCJMFNLCTG-UHFFFAOYSA-N 438.713 4.426 5 20 IIBD COc1ccc(COC(=O)c2c(F)ccc([N+](=O)[O-])c2F)c(Br)c1OC 752561433 HZBVMZFJFHVTEN-UHFFFAOYSA-N 432.173 4.010 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2C 753829326 CTBWDMFLGLGYHM-UHFFFAOYSA-N 432.841 4.068 5 20 IIBD O=C(C[C@H]1CCCCO1)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 756512264 VMZMUVZYYOFRIG-UZLBHIALSA-N 432.860 4.430 5 20 IIBD Cc1cccc(Cl)c1NC(=O)COC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 757732828 KGLLZTOVHZQIFO-UHFFFAOYSA-N 441.665 4.423 5 20 IIBD Cc1nc(-c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3Br)cc2Cl)n[nH]1 759027423 OBWXEXULMNSVQI-UHFFFAOYSA-N 436.653 4.357 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)C[C@H](O)c1cccs1 759675885 RTMVLKSSIOVWNS-FQEVSTJZSA-N 425.510 4.144 5 20 IIBD CC[C@H](C)n1ncc2c(C(=O)O[C@@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)cc(C)nc21 759936714 GPBCBSLLMUNUQL-BMGDILEWSA-N 426.477 4.156 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(Cc2noc(-c3cc4c(c([N+](=O)[O-])c3)OCO4)n2)cc1 762286634 AWSJZKKMKKLAMK-UHFFFAOYSA-N 440.412 4.311 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])c2cccnc12)N[C@H](c1ccccc1)c1cccs1 766228176 UEWHDEYNRCIRIY-OAQYLSRUSA-N 447.472 4.267 5 20 IIBD COc1cccc([C@@H](O)CN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])Cc2ccccc2)c1 766974481 ZMZJNWSZLMKYMB-QHCPKHFHSA-N 449.507 4.086 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCc1cc2cc(Br)ccc2[nH]1 767215651 ZRDLQYWGIMXXLQ-UHFFFAOYSA-N 431.246 4.407 5 20 IIBD CC(=O)[C@@H](Cc1c(F)cccc1F)OC(=O)c1sc(Br)cc1[N+](=O)[O-] 773602797 BNAUMAOBSWMUPP-GFCCVEGCSA-N 434.214 4.054 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 774834548 WQOQWCWSOFLHED-SFHVURJKSA-N 434.493 4.115 5 20 IIBD Cc1ccc(-n2nc(C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2C)cc1 777156432 OWPBTTNXJHLNHI-AWEZNQCLSA-N 442.859 4.235 5 20 IIBD O=C(/C=C\C(=O)Nc1ccc2n[nH]cc2c1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 778761171 HMNICUUMKCTOMA-KHPPLWFESA-N 443.419 4.397 5 20 IIBD C[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1cccc(N2CCOC2=O)c1 780480864 RKDFDDIKPFYDHG-OAHLLOKOSA-N 427.460 4.129 5 20 IIBD Cc1c(NC(=O)[C@H](C)N2CCC(COc3ccc(Cl)nc3)CC2)cccc1[N+](=O)[O-] 789314406 VHVXCVAVPRDKLA-HNNXBMFYSA-N 432.908 4.070 5 20 IIBD CN(C)c1cc(F)c(C(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1[N+](=O)[O-] 791219491 AGRDIMFBCNWTOW-GOSISDBHSA-N 441.381 4.032 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OCc2ccc(OCC3CC3)cc2)ccc1[N+](=O)[O-] 791989851 DRQFDICHYJGOBJ-JOCHJYFZSA-N 438.480 4.040 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCC(C)(c2cccc(Cl)c2)CC1 794345412 INKKSOAYDRFNCW-UHFFFAOYSA-N 446.887 4.028 5 20 IIBD CC(=O)Nc1cc(F)c(S(=O)(=O)Oc2cc(C)c([N+](=O)[O-])cc2Cl)cc1Cl 796206233 ZONSXWXBMXFKQM-UHFFFAOYSA-N 437.232 4.075 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 798048432 YWYYIDPCIWCPPC-SMDDNHRTSA-N 428.659 4.166 5 20 IIBD C[C@H]1C[C@@H](C)O[C@H]1C(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 800305301 JNYFDYXATREIRA-PRSFTHDCSA-N 432.860 4.285 5 20 IIBD C[C@@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1nccn1-c1ccccc1 806366887 FNJAQDSIBLZJGJ-GFCCVEGCSA-N 430.262 4.426 5 20 IIBD COc1ccccc1O[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 807727554 URDSLDCDIJAMMO-ZDUSSCGKSA-N 435.274 4.050 5 20 IIBD COCc1cccc(-c2noc(CN(C)c3cc(Br)ccc3[N+](=O)[O-])n2)c1 809325731 YAZLNZCHZLLLAX-UHFFFAOYSA-N 433.262 4.190 5 20 IIBD CN1CCC(N(C[C@H]2C[C@H]3C=C[C@H]2C3)C(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 813273729 KAJDNBDSHFXFKQ-YQQAZPJKSA-N 448.361 4.106 5 20 IIBD O=C(Nc1cc(-c2nc[nH]n2)ccc1F)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 819557097 KVVIQFWGNZQBIA-UHFFFAOYSA-N 435.365 4.136 5 20 IIBD O=C(COC(=O)/C=C\c1ccc2ccccc2n1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 849191055 UOSHRFHUINHZHH-YFHOEESVSA-N 445.353 4.357 5 20 IIBD COc1cccc(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1OC(F)F 849197016 PBQOZGQTGGBEBO-SECBINFHSA-N 444.774 4.042 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)cc1[N+](=O)[O-] 914735761 TXOPHEQRCPVXDZ-UHFFFAOYSA-N 435.318 4.268 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 918533661 BJOAWXQUOWVLSM-MRXNPFEDSA-N 446.887 4.243 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O 918536212 CINBCXUOFDZJED-UHFFFAOYSA-N 441.436 4.093 5 20 IIBD O=C(CSCc1cccc(Cl)c1)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 920148215 RFPXXYTZQONHKB-UHFFFAOYSA-N 443.308 4.108 5 20 IIBD Cc1ccc(NC(=O)COC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c(Cl)c1 920776701 BTYPWSDPKZTKQY-NSHDSACASA-N 427.240 4.159 5 20 IIBD Cc1c(C(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)nnn1-c1cccc([N+](=O)[O-])c1 1115824637 BMCYNEXZPMWEND-UHFFFAOYSA-N 445.464 4.341 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)o1 1117207436 GYPURPGSOINQFI-AWEZNQCLSA-N 430.465 4.046 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2cnn(Cc3cccnc3)c2)cc1[N+](=O)[O-])c1ccccn1 1251432463 XWMTUULCZHTGIU-INIZCTEOSA-N 443.467 4.055 5 20 IIBD COCCN(C(=O)[C@H](C)OC1CCCCC1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1322850614 RGYJHIJNRDNIFV-HNNXBMFYSA-N 433.530 4.436 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@H]2CCCN(C(=O)COc3ccccc3)C2)n1 1325492023 SENPSKGGMOFZMI-KRWDZBQOSA-N 436.468 4.047 5 20 IIBD Nc1ccccc1/C=C/C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1 1785747702 GTLMYJYTIZCRHH-WUXMJOGZSA-N 446.463 4.231 5 20 IIBD CCc1oncc1C(=O)NC1(c2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)cc2)CCC1 1785791810 KEYVHUCFLNSJDK-UHFFFAOYSA-N 448.479 4.136 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)NC1(c2ccc(NC(=O)c3ccno3)cc2)CCC1 1787370707 UDJLLEDBQXRXHF-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])c(C(=O)NC2(c3ccc(NC(=O)C4CCC4)cc3)CCC2)c1 1787606616 SLIKWJKXQWJZOH-UHFFFAOYSA-N 436.512 4.209 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)C3(c4ccccc4)CC3)CCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 1790183829 VCGCPMWDORGATH-UHFFFAOYSA-N 444.491 4.402 5 20 IIBD Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2CCCCC2)cc(Cl)cc1[N+](=O)[O-] 1795430161 SAAPEQBHHVPUMR-BCDXTJNWSA-N 433.936 4.389 5 20 IIBD CC[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2ccc(C)c([N+](=O)[O-])c2)CC1 1800140035 OZHOHXDOJWOTPV-WSJSTIOHSA-N 441.572 4.300 5 20 IIBD Cc1cccc(C)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C2 1800556615 WWZAARXFBQIDCA-KEADXDLLSA-N 433.508 4.177 5 20 IIBD CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1824838672 OBIMVCUQDFYEME-OAQYLSRUSA-N 429.561 4.193 5 20 IIBD CC(C)/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1832513563 ZVMWPXHIGBLECC-WJQKJCNPSA-N 439.556 4.440 5 20 IIBD O=C(c1cc2sccc2s1)N1CC2(CCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 1845403361 IBKTULOGQHRVTE-UHFFFAOYSA-N 445.497 4.141 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)Cc1ccc(Cl)cc1Cl 11482134 ZQKRNEFQSXKTCG-JTQLQIEISA-N 427.240 4.023 5 20 IIBD CCNc1ccc(C(=O)OCC(=O)Nc2ccccc2SC(F)F)cc1[N+](=O)[O-] 14072731 JUELJVPLYKBBKY-UHFFFAOYSA-N 425.413 4.137 5 20 IIBD COc1c(Br)cc(Cl)cc1S(=O)(=O)Oc1ccc(C)cc1[N+](=O)[O-] 24375563 IMYGKLVNSDRLOQ-UHFFFAOYSA-N 436.667 4.095 5 20 IIBD COc1ccc([C@H](NC(=O)COC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C2CC2)cc1 25374560 LYOPCFDSMXFNFV-OAQYLSRUSA-N 440.477 4.242 5 20 IIBD Cc1c(NC(=O)[C@@H](C)Sc2nnnn2-c2ccc(C(C)C)cc2)cccc1[N+](=O)[O-] 26518661 LUZCHLILEAOKTN-CQSZACIVSA-N 426.502 4.122 5 20 IIBD C[C@H](OC(=O)COc1cccc(C(F)(F)F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 28673196 WVJMRCIUBRBVEB-JTQLQIEISA-N 446.765 4.216 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NCCCC(=O)Nc2ccc(Cl)cc2)c([N+](=O)[O-])c1 64113450 IEMBTHQQVQGPMJ-UHFFFAOYSA-N 441.875 4.044 5 20 IIBD COc1cccc(C[C@H]2CCCN2C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c1 108363939 FTYFUOYUPQRHJB-JOCHJYFZSA-N 448.523 4.312 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2C(=O)N2CCCC[C@H]2C)c1 216401744 MMFFUNNUUJPXEO-OAHLLOKOSA-N 431.514 4.027 5 20 IIBD COc1ccc(CN[C@H](C)C(=O)N2CCCC[C@@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 237155294 GRQNKWHLOFYVSC-ZWKOTPCHSA-N 441.528 4.062 5 20 IIBD O=[N+]([O-])c1cc(CNC2CCN(C[C@@H]3CCOC3)CC2)ccc1Oc1ccc(F)cc1 237880141 SXDZVJSRQWZJGG-SFHVURJKSA-N 429.492 4.117 5 20 IIBD COc1ccc([C@@H](C)Nc2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])cc1Br 301071104 FEDURFPWVKHPKA-SNVBAGLBSA-N 440.250 4.248 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)N3CCN(c4ccc5cc([N+](=O)[O-])ccc5n4)CC3)n2)cc1 301118444 RNKYGGLSKCGCTI-QGZVFWFLSA-N 444.495 4.385 5 20 IIBD O=[N+]([O-])c1cc(Cl)c(N2CCCN(c3nnc(C(F)(F)F)s3)CC2)c(Cl)c1 302703649 JCZQGFSLXDAOQM-UHFFFAOYSA-N 442.250 4.489 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)Nc1cc(C2CCC(C(C)(C)C)CC2)[nH]n1 426594302 SPYROVWOLZOIRV-UHFFFAOYSA-N 441.532 4.832 5 20 IIBD O=C(Nc1cc(-c2ccc(Br)o2)no1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 427678876 OFDULOYFOKTAJQ-UHFFFAOYSA-N 444.201 4.043 5 20 IIBD CCN(CC(=O)O)C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 431455289 BDCVPFLHBZGELK-RVDMUPIBSA-N 425.466 4.068 5 20 IIBD COc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1Br 431464961 OFAIMQGEXSRBIB-UHFFFAOYSA-N 430.052 4.381 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)Nc3nc(-c4ccncc4)n[nH]3)cc2[N+](=O)[O-])cc1 433103603 VEAQKKYWJNBFNS-UHFFFAOYSA-N 432.465 4.487 5 20 IIBD CNC(=O)c1cc(Oc2cccc(Oc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)c2C)ccn1 433773145 DWCZPINOECHBGA-UHFFFAOYSA-N 448.435 4.127 5 20 IIBD CC[C@H](CNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])Oc1ccccc1C(F)(F)F 439650277 TUYWLQHBKDSCDJ-GFCCVEGCSA-N 442.390 4.218 5 20 IIBD COCCN(C(=O)[C@@H]1OCCc2ccccc21)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 441299844 YNJNXBINYXQULP-HXUWFJFHSA-N 439.493 4.012 5 20 IIBD CCOC(=O)c1ccnc(N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1[N+](=O)[O-] 443890650 WQQIVWCCHOGPBF-UHFFFAOYSA-N 444.491 4.059 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl 443954609 BYPXSNPEINZTBU-UHFFFAOYSA-N 432.786 4.479 5 20 IIBD O=C(Cc1noc(CCNc2ccccc2[N+](=O)[O-])n1)Nc1c(Cl)cccc1Cl 445377935 YTRJJTIJKZHOHT-UHFFFAOYSA-N 436.255 4.120 5 20 IIBD O=C(NCC1CCN(Cc2ccccc2Cl)CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 445529172 QYOYYPQRCGXBTM-UHFFFAOYSA-N 442.947 4.228 5 20 IIBD COc1cc(C(=O)NCc2ccc(C)cc2OCC2CC2)c([N+](=O)[O-])cc1OC(F)F 446302540 BMQDYSRMLBRZGI-UHFFFAOYSA-N 436.411 4.232 5 20 IIBD COc1ccc([C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C2CC2)cc1 446957220 MACQBGVNFXCEON-KRWDZBQOSA-N 430.404 4.052 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)cc1 448168643 OQFOAOPCRPOZRW-UHFFFAOYSA-N 426.947 4.335 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)Cc2cc(C)nn2-c2ccccc2)cc1SC 448177494 HJVDCUBTCBXKEW-CQSZACIVSA-N 440.525 4.180 5 20 IIBD O=[N+]([O-])c1cccc(CN(c2nnc([C@H]3CCCO3)n2CCc2ccccc2)C2CC2)c1 460419570 ASPSUMPHHGQWSG-JOCHJYFZSA-N 433.512 4.450 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1[C@H]2CC[C@H]1CC(N(C)C(=O)c1ccccc1)C2 462610591 CRFYXNCZXLAVNS-OIBXWCBGSA-N 449.551 4.458 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 462614539 LJVPBDJFZAVJPJ-WTNAPCKOSA-N 445.947 4.005 5 20 IIBD COc1cc(CN2CCO[C@@H](c3ccc(Br)cc3)C2)c([N+](=O)[O-])cc1F 463483281 NAQNEYPHBIDNFM-GOSISDBHSA-N 425.254 4.079 5 20 IIBD O=C(Nc1ccc(Cc2nnc3ccccn23)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 463849629 KCUHTAZSOXAMKI-UHFFFAOYSA-N 441.369 4.499 5 20 IIBD O=C(NCC(=O)N1Cc2ccccc2C[C@@H]1c1ccccc1)c1c(Cl)cccc1[N+](=O)[O-] 464214184 WLWLXSWAFRZFDF-OAQYLSRUSA-N 449.894 4.304 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 464256825 CJDOGMPGUQSBCR-KRWDZBQOSA-N 427.457 4.430 5 20 IIBD Cn1cc(C(=O)Nc2ccccc2CC(=O)OC(C)(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 467121830 HAWLIQCPZJNSEA-UHFFFAOYSA-N 436.468 4.132 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N(Cc1cccc(Br)c1)C1CCOCC1 468151811 CXOXUEQNBAKBEI-UHFFFAOYSA-N 447.329 4.498 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1 469384529 USGKIOMJJILOMW-IERDGZPVSA-N 436.468 4.316 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2nc(-c3ccc(CC)cc3)no2)cc1OC 472377451 VGORPNAUAOBXCG-CYBMUJFWSA-N 440.456 4.106 5 20 IIBD Cc1ccc(N(Cc2cccs2)S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 476807712 PPKAEBOXDAESMT-UHFFFAOYSA-N 446.506 4.131 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)ccc1[N+](=O)[O-] 478536630 KLXRSTAAQJLNPZ-YFVAEKQCSA-N 441.915 4.224 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1c(C)nn(-c2ccccc2)c1C 479533203 YWQNWVIBDDVEDU-UHFFFAOYSA-N 440.525 4.066 5 20 IIBD C[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)Oc1ccccc1Br 482816794 ROLWWHRAGDSAEI-GFCCVEGCSA-N 425.304 4.033 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1ccc(OC(F)(F)F)cc1 484857473 KIEQQHDBOPMXFP-LBPRGKRZSA-N 427.379 4.181 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc(F)cc1-c1ccc(F)cc1 485738737 XGIMIYRSJAEJQI-UHFFFAOYSA-N 425.347 4.087 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl 485969928 ZOYBRIWFLFRZQF-GFCCVEGCSA-N 445.324 4.183 5 20 IIBD O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 486131684 FWQKUXOIGMYKIM-GOSISDBHSA-N 441.915 4.292 5 20 IIBD O=C(CC1CCCC1)NC1CCC(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 486157268 YQFWGLXFSRGWRZ-UHFFFAOYSA-N 427.545 4.341 5 20 IIBD COC(=O)COc1ccc(NC(=O)c2cccc(SC)c2[N+](=O)[O-])c2ccccc12 486418322 UGKAHSWBXVFJCM-UHFFFAOYSA-N 426.450 4.274 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN3C[C@H]4CCC[C@@]4(c4nc(CC5CC5)no4)C3)o2)c1 486825092 MWQQGKSTLZHLMT-HOYKHHGWSA-N 449.511 4.182 5 20 IIBD O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCN(Cc2cccnc2)CC1 486850607 OXWSDHJVWHQSCP-UHFFFAOYSA-N 434.521 4.099 5 20 IIBD CC[C@H](C)NC(=O)CCNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 487791805 MTQIYFASZUPQBS-ZDUSSCGKSA-N 449.891 4.084 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1nnc(/C=C/c2ccco2)s1 490314329 GJCXBZVNFCCSFJ-AATRIKPKSA-N 435.259 4.153 5 20 IIBD O=C(N[C@H](Cc1ccc(Cl)cc1)c1ccccn1)c1cc2c(c([N+](=O)[O-])c1)OCO2 490722606 UYQZTOASDXLHBV-QGZVFWFLSA-N 425.828 4.086 5 20 IIBD COc1ccc2nc(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])sc2c1 493998285 HFYORFLIYHTWOL-UHFFFAOYSA-N 427.360 4.407 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 499985584 DQIWRAYSEHTRNE-UHFFFAOYSA-N 441.431 4.424 5 20 IIBD CN(C)Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)ccc1Cl 500788805 VFVXTOMLJLFMSN-UHFFFAOYSA-N 437.827 4.129 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N[C@H]1CCCOc2ccc(F)cc21 506963274 OTUSQUZRQCVDTG-SFHVURJKSA-N 449.504 4.234 5 20 IIBD CCc1cc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 507095214 ZINCNUSBCQTFAO-UHFFFAOYSA-N 449.486 4.152 5 20 IIBD Cc1c(Br)cc(C(=O)N[C@@H](C)c2noc(Cc3ccccc3)n2)cc1[N+](=O)[O-] 510442840 LFXFXFMALKGAKE-LBPRGKRZSA-N 445.273 4.131 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c1 511255998 CEBCXRWWZYZKBM-PZJWPPBQSA-N 425.529 4.089 5 20 IIBD O=[N+]([O-])c1ccc(NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C(F)(F)F)c1 511723149 PHVQMILQUYUQAI-UHFFFAOYSA-N 443.447 4.400 5 20 IIBD COCCN(C(=O)c1cnn(-c2ccccc2)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 512056173 ZUFHILKBKKAHLD-UHFFFAOYSA-N 449.492 4.197 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccc(OC(F)F)cc3F)cc2)c(C)c1[N+](=O)[O-] 512446551 MPXVVEWAWQNLMT-UHFFFAOYSA-N 434.374 4.449 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1cc(C2CCCC2)[nH]n1 513488236 RGTGGROYRDPEKJ-UHFFFAOYSA-N 440.241 4.141 5 20 IIBD CC(C)(NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(Br)cc1 519162146 IZLQHBCVKZMNDU-UHFFFAOYSA-N 433.711 4.224 5 20 IIBD CC(C)[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1nc(-c2cccnc2)no1 519186008 YKVQSCAEVTVFEP-HNNXBMFYSA-N 448.386 4.160 5 20 IIBD O=C(CNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)NCCc1ccccc1 520391579 CUXVJWLAYHQHAA-UHFFFAOYSA-N 439.899 4.489 5 20 IIBD CC(C)N(Cc1cc(Br)ccc1F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 521157842 GLDXSNIFFJPYGV-UHFFFAOYSA-N 431.283 4.096 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1NC(=O)c1ccccc1 521415207 NQTLLQRJZZKALZ-UHFFFAOYSA-N 425.466 4.210 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(C(C)(C)C(N)=O)cc2)cc1 523503073 ARIIVOUIJISGCS-UHFFFAOYSA-N 449.463 4.411 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(-c3nc(CC(=O)Nc4ccccc4)no3)cc2[N+](=O)[O-])C1 524639135 NZOYDFIRMHHXLF-IYBDPMFKSA-N 435.484 4.308 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 524838414 VYCFNWWEUSNDDZ-JOCHJYFZSA-N 425.485 4.139 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)nnc1-c1ccc(C)cc1 532272334 KNEUUTLHRMQJBK-CQSZACIVSA-N 441.513 4.310 5 20 IIBD COc1ccc(OC2CCN([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 533241177 QJXIPXAPMJFXOC-CQSZACIVSA-N 433.892 4.127 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 534399019 SMVTXNUXYRBQNI-VUCTXSBTSA-N 430.448 4.170 5 20 IIBD COc1ccc(C(NC(=O)COc2ccc([N+](=O)[O-])cc2C)c2ccc(OC)cc2)cc1 535135554 XEZMKJMPOHJEGY-UHFFFAOYSA-N 436.464 4.205 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)Cc1cc(C)cc(C)c1 536518623 VTNAZLFIQDCWFU-MRXNPFEDSA-N 430.526 4.228 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(C)c(C(=O)N3CCCCC3)c2)c1 538396428 SQRZOWUZAYVWCD-UHFFFAOYSA-N 425.485 4.245 5 20 IIBD NS(=O)(=O)c1c(N[C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] 538510208 SSSULUCPEOZQLK-KBPBESRZSA-N 429.420 4.009 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3cccc4c3C(=O)NC4)cc2[N+](=O)[O-])n1 540614555 SPMXLGJNRJSQRN-UHFFFAOYSA-N 426.479 4.007 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 541271101 HBGZFKFXERONGQ-KDOFPFPSSA-N 428.844 4.265 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC([C@@H](O)C(F)(F)F)CC2)cc1OC 542914852 OJWLGJVATRFPEJ-BFUOFWGJSA-N 434.455 4.164 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCCCC[C@H]2c2ncon2)cc1[N+](=O)[O-])c1ccccn1 543418165 BLUYVHLLFQYXIW-KXBFYZLASA-N 436.472 4.303 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(C)C)cc1[N+](=O)[O-] 543923653 XOBDQROVOHFYQM-QGZVFWFLSA-N 439.390 4.074 5 20 IIBD C[C@@H](Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])c1c(F)cncc1F 553365779 FBAKVPMVKROGLQ-GFCCVEGCSA-N 434.424 4.242 5 20 IIBD COc1cc(OCc2nc(C3(c4ccccc4Br)CC3)no2)ccc1[N+](=O)[O-] 563916925 MUESHUAQSZEJON-UHFFFAOYSA-N 446.257 4.408 5 20 IIBD CC(C)c1ccc(-c2noc([C@H]3CCCN3S(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 566565465 KSFFUPNWSYTKBT-LJQANCHMSA-N 442.497 4.294 5 20 IIBD Cc1cnc(-c2cnn(C)c2NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)o1 569410379 VRCAKWSYGNGNPW-CQSZACIVSA-N 447.455 4.112 5 20 IIBD COc1cc(CN2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F 574866722 ZMKMUXWSPMIULM-PKOBYXMFSA-N 447.482 4.159 5 20 IIBD CCCC(=O)N1CCCC[C@H]1c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 576191977 JBIYMUNQYDHVCH-HNNXBMFYSA-N 437.294 4.185 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 576197204 ZGLIAKRJXPSKFA-QRQLOZEOSA-N 442.947 4.029 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 576859752 NIKDPBOFRHFKIW-INIZCTEOSA-N 428.832 4.284 5 20 IIBD COc1cccc(CCNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1OC 580689939 UKFPOMNMXGNHJM-UHFFFAOYSA-N 436.464 4.164 5 20 IIBD Cc1c(NC(=O)C(=O)N(C)[C@@H]2CCCc3ccccc32)cc(Br)cc1[N+](=O)[O-] 580988756 PSIWTJHRYOPSQU-QGZVFWFLSA-N 446.301 4.140 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCC(=O)Nc1ccc(Br)cc1 589371639 ZIIBCQICGVDACZ-UHFFFAOYSA-N 435.278 4.070 5 20 IIBD CCOc1ccc(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2F)cc1[N+](=O)[O-] 603153805 AHTLXNDQUHRMQR-UHFFFAOYSA-N 439.447 4.370 5 20 IIBD CCOC(=O)CC1CCN([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC1 603554540 BFXGRTHQODDNMK-HSZRJFAPSA-N 439.512 4.248 5 20 IIBD CSc1ncc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)n1-c1ccc(F)cc1 603638654 CSEPNZJPJVKNBL-UHFFFAOYSA-N 438.387 4.495 5 20 IIBD CN(C)c1ccc(C(F)(F)F)cc1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 603648636 NBCZRGOLZVRMRV-UHFFFAOYSA-N 437.422 4.034 5 20 IIBD CC[C@@H]1CCCN(C(=O)c2ccccc2NS(=O)(=O)c2cc(C)c(C)c([N+](=O)[O-])c2)C1 604438645 HFGHLUBREYAWCY-QGZVFWFLSA-N 445.541 4.275 5 20 IIBD CCOC(=O)C1CCC(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 604542876 FBBDTFQMAVKKLA-UHFFFAOYSA-N 425.485 4.059 5 20 IIBD O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1cc([N+](=O)[O-])cc2c1OCCO2 608930792 BKZFJYWNCGYGPM-HXUWFJFHSA-N 443.459 4.409 5 20 IIBD CNC(=O)Cn1cc(NCc2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)cn1 608982772 VKIKVRPTLBSEDS-UHFFFAOYSA-N 437.500 4.239 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1cccc2c1CN([C@H](C)C(C)C)C2 609041680 OBXNPYMNXHGHIV-HZPDHXFCSA-N 426.517 4.403 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N(Cc1ccccc1F)c1ccccc1F 609228661 MHUKFXSBLSIOIB-UHFFFAOYSA-N 439.374 4.014 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)cc([N+](=O)[O-])c1 609305013 UXSXQATUPXETJK-UHFFFAOYSA-N 440.481 4.201 5 20 IIBD CCOC(=O)c1cc(S(=O)(=O)N(C)[C@@H](C)c2cccc(Cl)c2)cc([N+](=O)[O-])c1C 609707138 LOWYVYDTTSNIFX-ZDUSSCGKSA-N 440.905 4.115 5 20 IIBD Cc1cc(C)c(NC(=O)CN(C)C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c(C)c1 609722885 CWZABOVIFRNDIL-UHFFFAOYSA-N 433.892 4.039 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCOc1ccc(Br)cc1Cl 609749830 BMUZFEFETXQLPS-UHFFFAOYSA-N 427.638 4.388 5 20 IIBD O=C(Nc1cccc(NS(=O)(=O)c2ccccc2)c1)c1cc(Cl)cc([N+](=O)[O-])c1 609874428 XXPXXIYAIQNZCR-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD CCNc1ccc(C(=O)N(Cc2c(C)noc2C)Cc2c(C)noc2C)cc1[N+](=O)[O-] 609908775 VATQPARHCRQUNM-UHFFFAOYSA-N 427.461 4.079 5 20 IIBD COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)c(C(F)(F)F)c1 610043757 JZHWLZIBLKBLJF-UHFFFAOYSA-N 433.180 4.315 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccccc2SCC(F)(F)F)cc1[N+](=O)[O-] 610609084 KBARWZDZEINIAI-LBPRGKRZSA-N 441.431 4.374 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(=O)N[C@@H]1CCC(F)(F)C1 610937692 HAJRICKHCBQRFP-SNVBAGLBSA-N 427.454 4.050 5 20 IIBD Cn1c2ccccc2c2cc(S(=O)(=O)n3cc(-c4cccc([N+](=O)[O-])c4)cn3)ccc21 611496341 UKHJKYCRLGJBMK-UHFFFAOYSA-N 432.461 4.340 5 20 IIBD C[C@@H](NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccsc1 619762538 WVPDZDPHYLPLPP-GFCCVEGCSA-N 428.436 4.268 5 20 IIBD Cc1ccc([C@@H](NC(=O)COC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])c2cccs2)cc1 725935561 METXBXDUOJAJNK-HXUWFJFHSA-N 446.431 4.306 5 20 IIBD COc1cc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)ccc1[N+](=O)[O-] 726529650 GSQCYPJCDMXCAR-UHFFFAOYSA-N 426.816 4.156 5 20 IIBD CC(C)(C)SCCNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 727402690 SZTVBGIXRIXJGE-UHFFFAOYSA-N 433.496 4.478 5 20 IIBD CCc1cc2c(COC(=O)c3cc(SC)c(OC)cc3[N+](=O)[O-])cc(=O)oc2cc1O 728655162 CGBJDGIQXZMAJP-UHFFFAOYSA-N 445.449 4.057 5 20 IIBD Cn1cc([N+](=O)[O-])cc1C(=O)O[C@@H](c1cc(Br)ccc1F)C(F)(F)F 730402995 PMSVNMRSTFJHHP-LBPRGKRZSA-N 425.132 4.295 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Oc2cccc(C(F)(F)F)c2)c1 731214611 KPHQRKJAFZVIEZ-UHFFFAOYSA-N 426.166 4.144 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccccc1COc1cccc(C=O)c1 731750007 NJSYXGYWLZRNPG-UHFFFAOYSA-N 448.431 4.090 5 20 IIBD CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1cc([N+](=O)[O-])ccc1Br 733107343 MDARYUZVUVQMME-UHFFFAOYSA-N 440.725 4.215 5 20 IIBD CCOc1nnc(COC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)s1 733396004 XAJOYUYVXVBMGO-UHFFFAOYSA-N 438.512 4.118 5 20 IIBD CN(C(=O)COC(=O)c1cccc(COc2cccc(F)c2)c1)c1ccc([N+](=O)[O-])cc1 734049859 AJMUKMDMLUIZEO-UHFFFAOYSA-N 438.411 4.133 5 20 IIBD C[C@H](OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1nc2cc(Br)cnc2[nH]1 737334066 WGUUHZHBGKXDGQ-ZETCQYMHSA-N 425.626 4.200 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Br)Nc1ccc(Cl)c(Cl)c1 740409900 IXEIBHBKTRJJBG-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2ccccc2NC(=O)C[C@H]2C=CCC2)cc1[N+](=O)[O-] 742029548 IKOUUQSGJZQIEK-AWEZNQCLSA-N 433.461 4.138 5 20 IIBD C[C@H](OC(=O)c1cnc2ccccc2c1C(F)(F)F)C(=O)Nc1cccc([N+](=O)[O-])c1 744574056 POCBLOIUWMOOSH-NSHDSACASA-N 433.342 4.346 5 20 IIBD CCOCCOCc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1C 744793100 AIDWSGXJNAUVDK-UHFFFAOYSA-N 427.501 4.309 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(F)cc1 747120080 WYFNSXZQXHMABV-WDEREUQCSA-N 428.338 4.175 5 20 IIBD COC(=O)c1ccc([C@H](OC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C(F)(F)F)cc1 747210841 QKKYPEPZTFEOSS-KRWDZBQOSA-N 449.341 4.028 5 20 IIBD O=C(CNc1ccc(OCc2ccccc2F)cc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 747444843 IYYOODQXKQBDAO-UHFFFAOYSA-N 439.399 4.092 5 20 IIBD Cc1nn(Cc2ccc(C(=O)OC[C@H]3CSc4ccccc4O3)cc2)c(C)c1[N+](=O)[O-] 749083332 RLZKIPSFTRTHBI-SFHVURJKSA-N 439.493 4.167 5 20 IIBD CC(C)c1ccc(-c2ncc(CS(=O)(=O)C[C@@H](O)c3cccc([N+](=O)[O-])c3)s2)cc1 749720702 NHKZVLCSIWJWTD-HXUWFJFHSA-N 446.550 4.490 5 20 IIBD CC(C)(C)OC(=O)Nc1cc2c(cc1NC(=O)c1cc3cccc([N+](=O)[O-])c3[nH]1)OCO2 750085653 MFXHWCMCYAGOEA-UHFFFAOYSA-N 440.412 4.404 5 20 IIBD Cc1ncc([N+](=O)[O-])cc1C(=O)Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1 750678368 WUMXARPUTHONDW-UHFFFAOYSA-N 447.359 4.199 5 20 IIBD CCCc1c(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cnn1C1CCCC1 751846838 YLYVGRNHNVRNDK-ZDUSSCGKSA-N 432.452 4.182 5 20 IIBD C[C@H](OC(=O)C[C@@H](C)c1ccc(N)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 752084723 SOLWAUDYEGGSEY-NEPJUHHUSA-N 439.390 4.260 5 20 IIBD CSc1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)nc1 752822768 STEDCONCUGMFSU-UHFFFAOYSA-N 441.435 4.085 5 20 IIBD CC(C)(C)OC(=O)NCCOc1ccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1 752827931 WTHCTRQFZYQZLU-UHFFFAOYSA-N 440.456 4.232 5 20 IIBD C[C@@H](C(=O)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc2ccccc2c1 753398840 UDIZDKZTEJGNGL-CQSZACIVSA-N 426.856 4.478 5 20 IIBD O=C(N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1cc(F)cc([N+](=O)[O-])c1Br 753758583 ACDPEVOJUHNGMN-BLLLJJGKSA-N 437.265 4.394 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 754096229 CKCWQYSIXXCLMW-DYVFJYSZSA-N 430.404 4.062 5 20 IIBD Cc1nc2c(s1)[C@H](N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)CCC2 754965606 BOLUCIIYGUZLCU-GFCCVEGCSA-N 428.283 4.411 5 20 IIBD Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c(Cl)c1 758730525 IIOJPNHIEWPDON-CYBMUJFWSA-N 429.860 4.459 5 20 IIBD Cc1cc(C)c(N2C[C@H](C(=O)OCc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC2=O)c(C)c1 760497913 ORXLMBIEKXLQPG-GOSISDBHSA-N 449.463 4.271 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cc(Br)cnc1Cl 760508792 SUVNHVKHHOKQIT-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD COCc1cccc(-c2noc(-c3cc([N+](=O)[O-])ccc3I)n2)c1 761700340 PFAUTVNIJRITIO-UHFFFAOYSA-N 437.193 4.063 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(-c3nc(-c4cccnc4-n4ccnc4)no3)cc2[N+](=O)[O-])C1 761708762 HFDSGAWFZFZFLK-HZPDHXFCSA-N 445.483 4.375 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(=O)N(C)Cc1nc2ccccc2s1 763720244 COHBWLHZMYVCTL-NSHDSACASA-N 433.873 4.062 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 763811945 WDHQJPJOENTVLU-UHFFFAOYSA-N 439.833 4.064 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)cc1Cl 765498143 AUVIIFTUPDCFEZ-LBPRGKRZSA-N 441.912 4.164 5 20 IIBD O=C(COC(=O)/C=C\c1ccc2[nH]ccc2c1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 766183284 XQGCJBZNKLEUCG-KXFIGUGUSA-N 433.342 4.290 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])cc1 766319283 ADSKOTLWLOCSKN-OAHLLOKOSA-N 449.529 4.165 5 20 IIBD O=C(O[C@H]1CCOC[C@H]1OCc1ccccc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 767003139 QYPSZNRUGOHEAZ-VQTJNVASSA-N 440.477 4.249 5 20 IIBD O=C(COC(=O)c1cc(Br)cc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1Cl 770155186 CTNXJGOCJHIIIV-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc([C@H](C)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)n2)n1C 771463583 MOFSHXGWZFOYQY-IUODEOHRSA-N 442.476 4.056 5 20 IIBD CCCN(C(=O)c1ccccc1NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C(C)C 771516900 CWDPTZGDKIYVRY-UHFFFAOYSA-N 429.473 4.125 5 20 IIBD O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 772726371 GXYVWJXXIYRYEF-LJQANCHMSA-N 439.295 4.395 5 20 IIBD CC(C)[C@@H]1C[C@H](NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 772905528 OGICDPXEWPPLGH-VLIAUNLRSA-N 445.903 4.434 5 20 IIBD C[C@H](Nc1ccc(C(=O)O[C@@H](C)c2ncc(Cl)n2C)cc1[N+](=O)[O-])c1ccccn1 773889904 VCFRAPWMVJBXQC-STQMWFEESA-N 429.864 4.468 5 20 IIBD Cn1c(SC[C@@H](O)c2ccc([N+](=O)[O-])cc2)nc2scc(-c3ccccc3)c2c1=O 776271548 LVDQPIHKGZDBGO-QGZVFWFLSA-N 439.518 4.396 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2OC(C)C)cc1[N+](=O)[O-] 777629316 LUIBGTUJNRDHPG-UHFFFAOYSA-N 443.865 4.015 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2-c2cccs2)cc1 777858197 FXTNVMVDBZTTID-UHFFFAOYSA-N 434.451 4.269 5 20 IIBD CC(C)Oc1cc(F)ccc1NC(=O)c1ccc(I)c([N+](=O)[O-])c1 779460050 XVEUXVMAFQNOAP-UHFFFAOYSA-N 444.200 4.378 5 20 IIBD CCC[C@@H]1C[C@H](C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)CCO1 780390173 USJQSPHRHNDRQN-YFVAEKQCSA-N 432.517 4.118 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 780759295 BANHHHQUDBYPLG-DEOSSOPVSA-N 430.479 4.406 5 20 IIBD C[C@H](Nc1ccc(C(=O)OCc2nnc(C3CC3)n2C2CC2)cc1[N+](=O)[O-])c1ccccn1 783128888 FPYUZWFPPZQHGG-AWEZNQCLSA-N 448.483 4.324 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])OCc1nc(Cc2ccc(F)cc2)no1 784058831 QRTIZQMQRVUHLJ-UHFFFAOYSA-N 437.836 4.197 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)O[C@H]2CCOC(C)(C)C2)cc1[N+](=O)[O-] 785906518 NZYHPQLFWJOPHL-INIZCTEOSA-N 426.469 4.006 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)c1Br 788568084 FJTAKEMRADYBMQ-GFCCVEGCSA-N 435.278 4.215 5 20 IIBD COc1ccccc1[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(C)c1F)NC(=O)OC(C)(C)C 790292665 QFJLBJWEUSXKFI-KRWDZBQOSA-N 447.463 4.047 5 20 IIBD CC(C)n1c([C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)C2)nc2ccccc21 791360730 PCGOJABUJAMQIQ-AWEZNQCLSA-N 425.464 4.267 5 20 IIBD CCOC(=O)/C(=C/c1cc(Br)c2c(c1)OCCCO2)c1ccc([N+](=O)[O-])cn1 794951231 XVUCGSIOYCAJBM-RIYZIHGNSA-N 449.257 4.017 5 20 IIBD O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 798300244 YLIOOFZWCVBJGW-MRXNPFEDSA-N 432.263 4.427 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 803409131 TWORRGYUXUQEOX-UHFFFAOYSA-N 425.485 4.160 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)OCc2nc(-c3cc(Br)cs3)no2)c1F 803462055 KLAZKONWNAURQG-UHFFFAOYSA-N 442.222 4.273 5 20 IIBD CC(C)(C)OC(=O)NCC1(COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 809095431 IZWMQLLYOMXVAK-UHFFFAOYSA-N 436.508 4.003 5 20 IIBD CC(C)NC(=O)Nc1ccc(-c2noc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)n2)cc1 809333424 MPRBMUILNDIGNW-UHFFFAOYSA-N 436.472 4.442 5 20 IIBD CS[C@@H]1C(=O)Nc2ccc(-c3noc(-c4cc([N+](=O)[O-])ccc4N4CCCC4)n3)cc21 809377205 CWSPEWRLMRMOEH-SFHVURJKSA-N 437.481 4.268 5 20 IIBD C[C@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1ccc(N2CCCCC2=O)cc1 811868472 VFUSZXZUWIGMJK-INIZCTEOSA-N 447.495 4.249 5 20 IIBD O=Cc1ccc(OCC(=O)N2CCC(c3c(Cl)cccc3Cl)CC2)c([N+](=O)[O-])c1 813850252 VCMWMHJUFBAOTQ-UHFFFAOYSA-N 437.279 4.499 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)C1 814429253 UNUUMYBNJBLPGW-JKSUJKDBSA-N 435.496 4.233 5 20 IIBD C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 816819266 YVJALCZJSJLTTE-SGTLLEGYSA-N 442.365 4.120 5 20 IIBD CCOc1ccc(-c2noc(COC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1 913230486 TWFAOAPJHPIDLX-UHFFFAOYSA-N 438.440 4.001 5 20 IIBD CC(C)N(Cc1cccc(Br)c1)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 915115848 QGOIXVGXNIXMNH-UHFFFAOYSA-N 431.290 4.144 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3c(ccc4ccccc43)s2)c([N+](=O)[O-])c1 916110604 WVBSFRKCYPADHN-UHFFFAOYSA-N 430.423 4.067 5 20 IIBD CCc1c(C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)[nH]c(C)c1C(C)=O 917591185 WLIRQABUNKCPAW-UHFFFAOYSA-N 439.472 4.097 5 20 IIBD Cc1c(C(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 920013952 LNLQORGQNFXMSU-UHFFFAOYSA-N 434.380 4.389 5 20 IIBD Cc1ccc(N2C(=O)/C(=C\NCCc3ccc([N+](=O)[O-])cc3)c3ccccc3C2=O)cc1 920177604 IMYKHXODPUSIQU-KQWNVCNZSA-N 427.460 4.263 5 20 IIBD CN(C(=O)COC(=O)c1csc(Cc2ccc(Cl)cc2)n1)c1ccc([N+](=O)[O-])cc1 1115845340 AIAFQDDSKJLGRM-UHFFFAOYSA-N 445.884 4.115 5 20 IIBD CCOc1ccc(-c2nnc(-c3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])o2)cc1OC 1117289636 STEXAEBLEHSUAA-UHFFFAOYSA-N 437.355 4.329 5 20 IIBD O=C1Nc2ccccc2[C@H]1C1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 1322334449 REQSHTKPVNBFHX-HXUWFJFHSA-N 448.504 4.306 5 20 IIBD Cc1ccc(Sc2ccc(CN[C@@H](C)C(=O)NCC(F)(F)F)cc2[N+](=O)[O-])cc1 1322601766 UAVMCPIEBVBOBL-ZDUSSCGKSA-N 427.448 4.211 5 20 IIBD CC(C)(NC(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1ccccc1[N+](=O)[O-] 1343743097 NVGMVTNXRHQPIX-FQEVSTJZSA-N 433.512 4.452 5 20 IIBD COc1ccc(NC(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 1526863444 UGSGYKYANQFIOS-UHFFFAOYSA-N 440.422 4.218 5 20 IIBD CC(=O)NC1(c2ccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3C)cc2)CCC1 1790713066 GPUWMFXQKKUVGR-UHFFFAOYSA-N 446.301 4.433 5 20 IIBD CC(C)CCC(=O)Nc1ccc(C2(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)CCC2)cc1 1791257193 XCBJPTZQUWZZMX-UHFFFAOYSA-N 425.485 4.484 5 20 IIBD CCOCCC(=O)Nc1ccc(C2(NC(=O)CCc3cccc([N+](=O)[O-])c3)CCC2)cc1 1791960910 IQOWQTXLAGFRBS-UHFFFAOYSA-N 439.512 4.088 5 20 IIBD Cc1ccc(S/C=C/C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)C3)cc1 1798387196 BPLQFHDPWPDMLU-BVFBNKLTSA-N 441.509 4.054 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(F)c2[N+](=O)[O-])n[nH]1 1821167899 RZEWUCPOZQGJPM-GUYCJALGSA-N 431.468 4.199 5 20 IIBD C[C@@H]1C[C@@]1(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830224038 OMHSULWYPGGTQM-ZNRXUEPQSA-N 431.508 4.013 5 20 IIBD CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)CCC1 1830493559 WTTHVWDKNPRUMO-HXUWFJFHSA-N 431.508 4.157 5 20 IIBD C[C@@H]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830495480 BANKXGMXIRVILE-PERKRYKHSA-N 445.535 4.403 5 20 IIBD COc1ccc(-n2c(SCC(=O)c3ccc([N+](=O)[O-])cc3)nnc2-c2ccco2)cc1 2454236 ACOWWTOKHJWUJW-UHFFFAOYSA-N 436.449 4.419 5 20 IIBD CC(C)c1ccccc1NC(=O)COC(=O)Cn1c2ccccc2c(=O)c2ccccc21 10722622 WTAYQLRCOBECIJ-UHFFFAOYSA-N 428.488 4.460 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 10894856 YWZSIHFFSRWKSJ-UHFFFAOYSA-N 437.481 4.044 5 20 IIBD O=C(Nc1ccc2c(c1)CCC2)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 12211845 AOZNZOFWRNKDRJ-UHFFFAOYSA-N 437.477 4.137 5 20 IIBD Cc1cccc(-c2nc(CC(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)cs2)c1 17229832 OYEPZYSRWLMZHC-CQSZACIVSA-N 425.466 4.140 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1cc2ccccc2o1 23927961 CITZMZQMLHSSOO-KBXCAEBGSA-N 441.509 4.070 5 20 IIBD CCn1c(SCCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1ccccc1 26251354 WTTZRAKZYIYXQV-UHFFFAOYSA-N 427.486 4.003 5 20 IIBD CCOc1cc(C(=O)N[C@@H](c2nc3ccccc3[nH]2)[C@H](C)CC)c([N+](=O)[O-])cc1OC 71937723 YCSHNGGVXYZPOO-ZUOKHONESA-N 426.473 4.396 5 20 IIBD Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2Cl)n1 109141145 FNFOIHKPPAWHKM-GFCCVEGCSA-N 431.836 4.107 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC=C(c2ccccc2C(F)(F)F)CC1 302633997 JVARJWQTRKKUIU-UHFFFAOYSA-N 426.416 4.311 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1cccc(C[S@@](=O)C2CCCCC2)c1 302682348 XHZRBJCMMJWZGV-MUUNZHRXSA-N 436.555 4.323 5 20 IIBD CC[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 304724023 QYYQCLVOZFYHAS-ZDUSSCGKSA-N 427.320 4.347 5 20 IIBD C[C@@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(NC(=O)NC2CC2)cc1 426019075 RHYHSNPKPPXHSX-OAHLLOKOSA-N 437.500 4.314 5 20 IIBD C/C(=C\c1ccccc1)CN(C)C(=O)c1ccc([N+](=O)[O-])cc1I 427561989 FVPVRVZZZCQLJN-JLHYYAGUSA-N 436.249 4.375 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CN[C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 429800313 REIRGXQXCUHELZ-HSZRJFAPSA-N 440.521 4.195 5 20 IIBD Cc1ccc(-c2nsc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)n2)s1 432675146 IUWYFFPBQLQADT-UHFFFAOYSA-N 425.289 4.498 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1cc(SC)ccc1[N+](=O)[O-])c1ccc(Cl)c(F)c1 433552998 ICPQUNJBSQYKJF-OAHLLOKOSA-N 426.853 4.143 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1nccn1CCCc1ccccc1 434363026 OLQWIWXGCYLGDE-MRXNPFEDSA-N 442.903 4.161 5 20 IIBD C[C@@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 436216566 MTAQQXSSBXMYFJ-GFCCVEGCSA-N 429.274 4.249 5 20 IIBD COc1cc([C@H](C)NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc(OC)c1OC 437158381 ZTOXEWAUSNTCQU-JTQLQIEISA-N 428.363 4.130 5 20 IIBD O=C(Nc1ccccc1I)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437951983 XZVDUCLKGIDJBW-UHFFFAOYSA-N 436.127 4.471 5 20 IIBD COc1cc(C(=O)N2CCC(c3ccccc3Br)CC2)c([N+](=O)[O-])cc1OC 439367752 BDLNKIDYELCNNM-UHFFFAOYSA-N 449.301 4.394 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C 440084727 XSFNQDZQRJXXAA-SFHVURJKSA-N 435.427 4.114 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3ccncc3Oc3ccccc3)CC2)ccc1[N+](=O)[O-] 440870263 CDZNKURIEGKIJI-UHFFFAOYSA-N 448.479 4.143 5 20 IIBD C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(OCc2ccccc2)c1 444695110 RQXUHEYDFGUVKI-SFHVURJKSA-N 440.521 4.298 5 20 IIBD Cc1cccc(NC(=O)Cc2noc(-c3cc(Br)c(C)c([N+](=O)[O-])c3)n2)c1 445316530 LAXJUUPAAOTKIH-UHFFFAOYSA-N 431.246 4.205 5 20 IIBD O=C(Nc1cccc(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1)c1cccc(F)c1 445496015 WJAKIGZCVYZHBD-UHFFFAOYSA-N 448.454 4.254 5 20 IIBD C[C@H](c1ccccc1F)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 461646238 KQDDZIBZSCWKQE-HZPDHXFCSA-N 425.464 4.226 5 20 IIBD Cc1nc(CN(C)[C@H]2CCCN(c3cc(C)c([N+](=O)[O-])cc3C(F)(F)F)CC2)no1 461955826 ISNRBFNWCVRWED-AWEZNQCLSA-N 427.427 4.104 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H](c1ccccc1)c1nccs1 462296380 OAIRFWIWWQJQLX-AWEZNQCLSA-N 444.321 4.426 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1ccc(Br)s1 462440755 LLOJDVXCUYMZOX-UHFFFAOYSA-N 446.131 4.204 5 20 IIBD COc1cc(OC)cc(-c2cccc(NC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)n2)c1 462858414 BCUSSNUVSOTWRU-UHFFFAOYSA-N 445.435 4.112 5 20 IIBD COc1cc(CN2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)c([N+](=O)[O-])cc1F 464686104 CHHPLVPTVAUVOG-MRXNPFEDSA-N 430.480 4.085 5 20 IIBD C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464776752 OERWPYPFBRPEJD-QGZVFWFLSA-N 437.496 4.404 5 20 IIBD CC(C)[C@H](NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1cccc(C(F)(F)F)c1 465163846 IPBHLMAMPZGOQH-FQEVSTJZSA-N 438.402 4.441 5 20 IIBD Cc1sc(S(=O)(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)cc1[N+](=O)[O-] 466963865 HJPUNFOHGNFQKF-UHFFFAOYSA-N 441.874 4.264 5 20 IIBD Cn1c(-c2cccc(NS(=O)(=O)c3c(F)cccc3[N+](=O)[O-])c2)nc2ccccc21 467080514 GJDBYGPXKKFBDI-UHFFFAOYSA-N 426.429 4.088 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1 468621999 NOUOMBHGRUFGOA-SJCJKPOMSA-N 442.545 4.137 5 20 IIBD C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 469938078 HCJSXRYVHIUYFG-GFCCVEGCSA-N 436.295 4.167 5 20 IIBD CC[C@@H]1CN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC[C@H]1c1ccccc1 470001159 VDJZHWUEZWAADL-YLJYHZDGSA-N 437.496 4.325 5 20 IIBD C[C@H]1OCC[C@]12CN(C(=O)c1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)CCO2 470656847 CONCHBIGKXFBSV-SZNDQCEHSA-N 432.860 4.061 5 20 IIBD COc1cc(C(=O)Nc2ccc(N3CCCCC3)c3ncccc23)cc([N+](=O)[O-])c1OC 471430322 CFPZUUVZJZVBNI-UHFFFAOYSA-N 436.468 4.403 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 471432145 IDNJMQAGWIMPCC-KBXCAEBGSA-N 432.249 4.193 5 20 IIBD CCOC1CC(CCNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C1 474936756 ZRHULNYACBKWJR-UHFFFAOYSA-N 427.288 4.022 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 475834164 RNYVUKDLYPDXHV-UHFFFAOYSA-N 440.346 4.199 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)cc1OC 475843493 AORYZEJEJLNOBI-IBGZPJMESA-N 438.839 4.008 5 20 IIBD COc1cc(CCNC(=O)c2sc(-c3ccccc3C)nc2C)c([N+](=O)[O-])cc1OC 476406323 DOPXPSAZEWJKLX-UHFFFAOYSA-N 441.509 4.325 5 20 IIBD C[C@@H]1CCCCN1CCC1CCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC1 477170959 NXZMNWWFQFEHSQ-GOSISDBHSA-N 439.560 4.040 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccc(CN2CCCCC2=O)c1 477523488 BHDVDUUDCHIGGJ-UHFFFAOYSA-N 430.892 4.125 5 20 IIBD COc1cc(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cc([N+](=O)[O-])c1C 478342045 FMHVMUPEXHTMCQ-NSHDSACASA-N 429.420 4.407 5 20 IIBD Cc1cc(NC(=O)C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCC(C)C)CC2)no1 481929745 GRHYKGLKOXVIGR-UHFFFAOYSA-N 446.529 4.130 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 483109501 QRAPEBJVTLGVQO-UHFFFAOYSA-N 446.525 4.250 5 20 IIBD CN1CCC[C@@H]2CN([C@H](C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c3ccccc3)CC[C@H]21 483486575 PIXHHNDKCHFUQX-YHYVQYDKSA-N 442.947 4.344 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(COc3ccccc3OC)o2)c(C)c([N+](=O)[O-])c1 485933384 JQNMEEYYVZLOTP-UHFFFAOYSA-N 440.408 4.123 5 20 IIBD CC(C)n1c([C@@H]2CCCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)C2)nc2ccccc21 487399565 CBFUVDKKTQUKBF-GOSISDBHSA-N 442.541 4.235 5 20 IIBD Cc1ccc(Cc2sc(NC(=O)Cn3cc([N+](=O)[O-])c(=O)c4ccccc43)nc2C)cc1 487863191 UOGWHQDLYOUYNU-UHFFFAOYSA-N 448.504 4.213 5 20 IIBD COc1ccc(NC(=O)CNc2cc(Cl)ccc2OC[C@@H]2CCCCO2)c([N+](=O)[O-])c1 488140274 PAYUDHWYQRGMRQ-INIZCTEOSA-N 449.891 4.255 5 20 IIBD CCn1c(SCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)nnc1-c1ccc(F)cc1 489671252 ITVJIZFWLPCFNQ-UHFFFAOYSA-N 426.433 4.355 5 20 IIBD Cc1cc(C)cc(N(C)C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 489961548 YFBSHTBMZZQNCX-UHFFFAOYSA-N 439.493 4.289 5 20 IIBD CCN(CC)C(=O)COc1cccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 494244458 JAICKJRLJATPLF-UHFFFAOYSA-N 440.500 4.039 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1 495165981 GVQPNJLSSVICQH-UHFFFAOYSA-N 429.476 4.131 5 20 IIBD O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 505422394 PBYICZVYXHAPLO-MRXNPFEDSA-N 426.301 4.092 5 20 IIBD O=C(N=c1cc[nH]cc1)c1cccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 505724850 GJNSUTPICIQSMI-UHFFFAOYSA-N 445.460 4.040 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCc1nc(C2(c3ccc(Br)s3)CCC2)no1 508643629 LYDUWCRVPHTSGN-UHFFFAOYSA-N 438.307 4.019 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 510096315 AHHANBLDMREQMA-UHFFFAOYSA-N 439.295 4.145 5 20 IIBD COc1cc(CN2CCC[C@H](N3CCCC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 510523844 VNAACPGFBGVJNW-QFIPXVFZSA-N 425.529 4.243 5 20 IIBD COc1cc(C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)ccc1[N+](=O)[O-] 510914994 QAKBBSKQFKYRLY-UHFFFAOYSA-N 442.475 4.445 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(=O)N[C@H](C1CC1)C(F)(F)F 511734453 NDYFCMTVKWOFJI-CQSZACIVSA-N 445.444 4.203 5 20 IIBD COc1ccc(Cl)cc1-c1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n[nH]1 512848801 JXFOKYYMHDRIOG-UHFFFAOYSA-N 441.875 4.499 5 20 IIBD Cc1csc(Sc2ccc(NC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)cc2)n1 513277951 VNARBWFPDZPVGD-UHFFFAOYSA-N 449.535 4.167 5 20 IIBD O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)c1 513712872 GVXTUDFAEZSVDX-QGZVFWFLSA-N 430.354 4.371 5 20 IIBD COc1cc(C(=O)NCCc2nnc(C)s2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 514638627 BQNQFCUJJVBLQU-UHFFFAOYSA-N 448.888 4.182 5 20 IIBD CCOC(=O)c1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)nc1C 515622264 KPRRZVSEOYENRT-UHFFFAOYSA-N 426.454 4.159 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)NCc2cc(F)ccc2F)cc1[N+](=O)[O-] 517836386 UGWGYRJCSYTPNL-UHFFFAOYSA-N 439.418 4.100 5 20 IIBD C[C@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 517866817 ZHBDCXCYSUHRDD-KDURUIRLSA-N 425.529 4.158 5 20 IIBD CCN(Cc1cccc(Br)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 519891916 ADCOOBRYYKZHPQ-UHFFFAOYSA-N 433.711 4.222 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2c(C)cnn2[C@H]2CCCc3ccccc32)cc([N+](=O)[O-])c1 520566688 CWRNKBLHZNSYGT-NRFANRHFSA-N 448.479 4.454 5 20 IIBD C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2I)[C@H]2CCCC[C@@H]21 522242529 XTVGWDQNWKXUBN-KFNAQCHYSA-N 428.270 4.240 5 20 IIBD CCCOCc1ccccc1CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl 522622473 TZGBEWIGEOCMCK-UHFFFAOYSA-N 428.876 4.333 5 20 IIBD Cc1ccc(NCCCNC(=O)C2(c3cccc(Cl)c3)CCOCC2)c([N+](=O)[O-])c1 523512287 SVAQGRYSCIWRNZ-UHFFFAOYSA-N 431.920 4.223 5 20 IIBD COc1cc(C(=O)N[C@@H](C)Cc2cccs2)c([N+](=O)[O-])cc1OCc1cscn1 524455063 FAWXKQMPIPNXIO-LBPRGKRZSA-N 433.511 4.061 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCc1ccc(NC(=O)c2ccco2)cc1 524837740 KIOZKIFYJWSJCO-UHFFFAOYSA-N 436.468 4.262 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCCc3c[nH]c4c(C)cccc34)cc2)c(C)c1[N+](=O)[O-] 525108239 LGFXSSSYNYKNNU-UHFFFAOYSA-N 431.496 4.219 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@H](Oc2cccc(Cl)c2)C1 534005013 JJLUKGZMIWCCBM-IBGZPJMESA-N 432.907 4.488 5 20 IIBD COc1ccc(CN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C2CCCCC2)cc1OC 535814375 LFQCVWQYHFXINB-UHFFFAOYSA-N 444.532 4.177 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCC[C@@H]3Cn3cnc4ccccc43)cc2[N+](=O)[O-])CC1 535952307 ABCUJBZWVTXPRL-HXUWFJFHSA-N 447.539 4.486 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3cn(CC(C)C)nc3C(F)F)cc2)c(C)c1[N+](=O)[O-] 536444794 WJEGCSRBZGHBGY-UHFFFAOYSA-N 446.458 4.499 5 20 IIBD CC[C@H]1Oc2cc([C@H](C)NCCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)ccc2NC1=O 537154604 WBCHWCDLOKRSHN-IFXJQAMLSA-N 436.468 4.253 5 20 IIBD COc1ccc(-c2ccc(CN[C@H](CC(N)=O)c3cccc(Cl)c3)o2)c([N+](=O)[O-])c1 539634185 PSABVDJTDMJKOW-GOSISDBHSA-N 429.860 4.223 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(NCCc2ccc(OCc3ccccc3)cc2)s1 539890873 SZVHQDLDBUFOKD-UHFFFAOYSA-N 432.523 4.293 5 20 IIBD CCCc1cc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n(C)n1 540059060 QWGUBURIEMHIHF-UHFFFAOYSA-N 444.495 4.315 5 20 IIBD CC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(F)cc1F 540386733 DQRYUPWSFIHGGQ-OAHLLOKOSA-N 428.233 4.315 5 20 IIBD COC(=O)COc1ccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1Cl 541298110 QRJPAFLBESBERI-UHFFFAOYSA-N 445.280 4.184 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N(Cc1cccc(Br)c1)C1CC1 541527431 XYARPGISFSEVGN-UHFFFAOYSA-N 434.290 4.240 5 20 IIBD O=[N+]([O-])c1cccc(-n2ccc(-c3nc(Cc4ccc(Oc5ncccn5)cc4)no3)n2)c1 545679893 LRJAEPTXTHFRHN-UHFFFAOYSA-N 441.407 4.004 5 20 IIBD COc1ccc(Br)cc1C(=O)CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 546258583 SDNCHPIAHAICFR-UHFFFAOYSA-N 432.230 4.231 5 20 IIBD COc1ccc(Br)cc1-c1noc(-c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)n1 546341836 LUAWYPSLQLROBW-UHFFFAOYSA-N 442.229 4.269 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccc(OC(F)F)nc2)cc1[N+](=O)[O-])c1ccccn1 549029106 DWBVVEVASBASQS-LBPRGKRZSA-N 429.383 4.412 5 20 IIBD C[C@@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])[C@@H]1OCCc2sccc21 552267060 MOENWAIJOOHVGG-HWPZZCPQSA-N 430.404 4.030 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 553693860 FWVDXFVOYJADPV-UWJYYQICSA-N 448.926 4.264 5 20 IIBD O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1cc(OC(F)F)cc(OC(F)F)c1 557808034 FWRXLCBDRUEJEB-UHFFFAOYSA-N 440.309 4.236 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CN[C@@H](c3cncc(Br)c3)C3CC3)n2)c1 560180623 HHOJDTXUTMKLDA-QGZVFWFLSA-N 430.262 4.043 5 20 IIBD COC(=O)C(C)(C)N(C)C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 564113573 VRTZDYAOKGODIS-UHFFFAOYSA-N 445.522 4.379 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCCC[C@@H]1c1ncc(-c2ccccc2)[nH]1 564192545 GYGVYBYMXYJZOW-GOSISDBHSA-N 430.461 4.040 5 20 IIBD COc1cccc(-c2nc(-c3ccc(N4CCCN(C)CC4)c(Cl)c3)no2)c1[N+](=O)[O-] 565626463 OLYBRBQWAQOFIH-UHFFFAOYSA-N 443.891 4.116 5 20 IIBD Cc1ccnc(CNc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])c1 571943269 SRODGXKHMDKNAD-UHFFFAOYSA-N 426.498 4.328 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)nn2[C@H]2CCN(Cc3ccccc3)C2)c1 573024317 BLZCAZCLUVAUAE-IBGZPJMESA-N 449.511 4.198 5 20 IIBD CCCn1c(Sc2ncnc3sc([N+](=O)[O-])cc23)nc2sc3c(c2c1=O)CCC3 575891344 YNFOPVXCYVWVHE-UHFFFAOYSA-N 445.551 4.421 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1Sc1nnc(-c2ccco2)n1-c1ccc(OC)cc1 577674374 DAYFXIZEGXNPPD-UHFFFAOYSA-N 426.458 4.120 5 20 IIBD CCc1nc2cc(CN[C@@H](c3cccc([N+](=O)[O-])c3)c3nccn3C)ccc2n1C1CC1 580469144 MRARAUGUOUNLIL-QHCPKHFHSA-N 430.512 4.455 5 20 IIBD CCCOc1cc(NC(=O)C2CCN(C(=O)C(C)C)CC2)c([N+](=O)[O-])cc1OCCC 603445895 FEJJEYYCPFXZSN-UHFFFAOYSA-N 435.521 4.006 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCCN(C(=O)c3ccc(F)cc3)CC2)cc1[N+](=O)[O-] 603496719 NWINOPQTRDIXJR-UHFFFAOYSA-N 427.476 4.020 5 20 IIBD COCCN(C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C1CCCC1 603529143 NHANMHYNKWCKEL-UHFFFAOYSA-N 443.466 4.248 5 20 IIBD COc1ccc(N(CC(C)C)C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 603549005 HWYLLBBHZDTPKK-UHFFFAOYSA-N 441.513 4.186 5 20 IIBD COCCN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@H](C)c1cccc(C(F)(F)F)c1 603568109 PISKITKNJLZSQL-CQSZACIVSA-N 426.391 4.229 5 20 IIBD COc1ccc(CSc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)cc1[N+](=O)[O-] 603722886 VISJWCKGHNRNHN-AWEZNQCLSA-N 432.527 4.395 5 20 IIBD COc1cn(-c2ccccc2)nc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 603996783 FKCVONBPYVSYFB-UHFFFAOYSA-N 435.465 4.473 5 20 IIBD O=C(Nc1ccccn1)[C@@H]1CCCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 604106037 IYFUQCMDBWLUIT-GOSISDBHSA-N 445.479 4.224 5 20 IIBD O=[N+]([O-])c1ccc(OCCCSc2nnc(-c3ccncc3)n2CC(F)(F)F)cc1 604476716 IFWXBJWUOZTMDX-UHFFFAOYSA-N 439.419 4.372 5 20 IIBD COc1ccc(Br)cc1[C@H]1CCCN1C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 609012244 RJHHGJGUHBAQME-MRXNPFEDSA-N 449.301 4.281 5 20 IIBD O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609547458 NWUYABCLPIUTAT-UHFFFAOYSA-N 435.465 4.311 5 20 IIBD CC1CCC(NS(=O)(=O)c2ccc(NCc3cc(C(C)C)no3)c([N+](=O)[O-])c2)CC1 609625350 NEWBVVLYWOPELO-UHFFFAOYSA-N 436.534 4.175 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc([N+](=O)[O-])c1 609838878 TXHBZHPPDGGGHI-UHFFFAOYSA-N 436.449 4.343 5 20 IIBD Cn1cccc1[C@@H]1CCCN1C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 609873685 PUILDNWPZRKBAZ-KRWDZBQOSA-N 434.283 4.403 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CC(Cc3ccc(C(F)(F)F)cc3)C2)cc1OC 610660387 RZTRMKIANFIMCT-UHFFFAOYSA-N 438.402 4.336 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCO[C@H]([C@H]4CCCO4)C3)cc2[N+](=O)[O-])cc1 610687261 AUZNXSVYJCVTRR-UXHICEINSA-N 428.510 4.074 5 20 IIBD COC(=O)Cc1csc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])n1 619651247 VLRVNBDUKHVJBF-UHFFFAOYSA-N 429.479 4.170 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NC1(C)CCC(F)(F)CC1 619751541 KTASRGYBNUSWTC-UHFFFAOYSA-N 438.212 4.206 5 20 IIBD Cc1nn(CCC(=O)Nc2nc3ccc(SC(F)F)cc3s2)c(C)c1[N+](=O)[O-] 726496030 MXEFENUSZGVIAQ-UHFFFAOYSA-N 427.458 4.361 5 20 IIBD Cc1ccsc1C(=O)Nc1ccc(OC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1 729213866 FLDQBAOXOXQZPF-UHFFFAOYSA-N 449.448 4.017 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)[C@@H]2C[C@H]2c2cccc3ccccc23)c([N+](=O)[O-])c1 730877905 RPBVFVFJHRJUNR-PNHOKKKMSA-N 434.448 4.431 5 20 IIBD O=Cc1ccc(OCC(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)c([N+](=O)[O-])c1 731734296 CCMJHTQLYBZSOT-UHFFFAOYSA-N 425.437 4.260 5 20 IIBD O=C(/C=C\C1CCOCC1)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 732629608 WNATXPFURBZOCI-QPIMQUGISA-N 430.844 4.389 5 20 IIBD O=C(OCc1c(Cl)cccc1Cl)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 733557574 DNPNUPFLJUHOLB-ZDUSSCGKSA-N 429.281 4.311 5 20 IIBD COc1c([N+](=O)[O-])cc(NCCOC2CCCCCC2)c([N+](=O)[O-])c1Br 735669269 LDRPEGPYHIZTIS-UHFFFAOYSA-N 432.271 4.425 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OCCCc2ccc(Cl)cc2)ccc1[N+](=O)[O-] 740957901 MJJBYMPZZUEDQE-HXUWFJFHSA-N 430.888 4.337 5 20 IIBD COc1cc(COc2ccc(Br)cc2[N+](=O)[O-])c([N+](=O)[O-])cc1OC(F)F 741857354 ZCXHVZCMKXOYGY-UHFFFAOYSA-N 449.160 4.455 5 20 IIBD COc1ccc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])cc1NC(=O)OC(C)(C)C 742534876 MUUQXCJGTXNGCE-UHFFFAOYSA-N 430.461 4.025 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCc1ccc(-c2csc(C)n2)s1 746715126 CSKRTFGRPCCUTH-UHFFFAOYSA-N 434.455 4.395 5 20 IIBD CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)c1ccccc1OC 751083665 UHQQPKMNCBYFTE-OAHLLOKOSA-N 440.237 4.089 5 20 IIBD Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 753432319 LXBUEHPEXBLRAJ-ZDUSSCGKSA-N 435.274 4.467 5 20 IIBD C[C@@H](C(=O)OCC(=O)c1ccc(NC(=O)C(C)(C)C)cc1)c1ccc([N+](=O)[O-])cc1F 755065475 RCZNURSZXURWMN-CYBMUJFWSA-N 430.432 4.248 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])N(Cc1ccccc1)C[C@@H](O)c1cccs1 756050055 WXVNCGKGYGKFQB-HXUWFJFHSA-N 425.510 4.144 5 20 IIBD C[C@H](OC(=O)c1ccc(C(=O)Nc2ccccc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 758677421 ZYFJKQXZTPQHAM-HNNXBMFYSA-N 433.420 4.031 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc2c3ccccc3n(C)c2s1 762208700 RHAIOVVYCQCXBH-UHFFFAOYSA-N 439.449 4.105 5 20 IIBD C[C@H](C(=O)O[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1cccc([N+](=O)[O-])c1 763400202 VXDXIXUGWKCXBY-SCLBCKFNSA-N 434.395 4.039 5 20 IIBD C[C@H](C(=O)OC[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1cccc([N+](=O)[O-])c1 764073940 RXUWQUHXOBZMBP-UONOGXRCSA-N 447.285 4.057 5 20 IIBD O=C(O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1ccc(OCC(F)(F)F)cn1 764874649 WVCKOUBIHDGMJS-SFHVURJKSA-N 433.342 4.272 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1 767253384 ZKZCYAQIGHPJDV-CQSZACIVSA-N 447.257 4.161 5 20 IIBD O=C(OC[C@H]1CCO[C@H]1c1ccccc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 769337469 DXNJCWWBZRZRIT-KDOFPFPSSA-N 425.359 4.471 5 20 IIBD COc1cc(/C=C\C(=O)Nc2cc([N+](=O)[O-])ccc2O)ccc1OCc1c(C)noc1C 770855831 GJXSBDUWONVHHM-UITAMQMPSA-N 439.424 4.145 5 20 IIBD Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c(Br)n1 771452015 XPUBNSUTSSIUIO-UHFFFAOYSA-N 429.068 4.004 5 20 IIBD Cc1cc(S(=O)(=O)Oc2ccc(NC(=O)c3cccs3)cc2)cc([N+](=O)[O-])c1F 771726112 OMNZNSROTIUQBQ-UHFFFAOYSA-N 436.442 4.124 5 20 IIBD CC(C)(C)OC(=O)N(CC(=O)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])C1CC1 776139830 RFOWLMHSBSBNQW-HXUWFJFHSA-N 427.457 4.022 5 20 IIBD COc1cccc([C@@H]2[C@@H](C(=O)OCc3ccc(Cl)cc3[N+](=O)[O-])CC(=O)N2C2CC2)c1 776456007 NVNUGRQBRRPWLC-GHTZIAJQSA-N 444.871 4.052 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCc2ncc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2C1 777236418 PDYRVBQJBCVZAR-CYBMUJFWSA-N 446.891 4.278 5 20 IIBD O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781559458 LFKRFGOIBUYVAA-LJQANCHMSA-N 433.449 4.103 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(COC(=O)c2c(C)nn(C)c2Cl)cc1OC 781660381 WCXRFFHGOCDJKB-NSHDSACASA-N 425.869 4.081 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCCC[C@@H]2CN2CCCC2=O)cc1OC 782043035 WYHVUDQUULGDJG-IEBWSBKVSA-N 433.549 4.005 5 20 IIBD COc1ccccc1[C@@H](CNc1ncnc2ccc([N+](=O)[O-])cc12)NC(=O)OC(C)(C)C 782140896 JWUQOQFJBGNMQR-GOSISDBHSA-N 439.472 4.225 5 20 IIBD COc1ccccc1[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc12)NC(=O)OC(C)(C)C 782140898 JWUQOQFJBGNMQR-SFHVURJKSA-N 439.472 4.225 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 782379430 OGBWGOGVJPAQGA-GOSISDBHSA-N 437.374 4.148 5 20 IIBD CCOC(=O)c1cc(C(=O)O[C@H](c2ccncc2)c2cccc(OC)c2)cc([N+](=O)[O-])c1 782450663 UFLCRGSGFWLJCE-OAQYLSRUSA-N 436.420 4.122 5 20 IIBD CC(C)(C)Oc1c(F)cc(NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1F 785113226 ACXMFBOSSPXWGP-UHFFFAOYSA-N 427.791 4.281 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1cc(N2CCCC2=O)ccc1F 785708874 JVQYWMTXJZMFMV-UHFFFAOYSA-N 440.353 4.201 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)[C@@H]2COc3ccccc32)c2ccccc2)c([N+](=O)[O-])c1 785772364 AHMRBTUCTBKIKA-XMSQKQJNSA-N 432.432 4.302 5 20 IIBD CCc1nc2ccccc2n1[C@@H]1CCCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 787904589 LQFRWSQKBGFYSH-GOSISDBHSA-N 431.496 4.394 5 20 IIBD C[C@@H](N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccc(N)c([N+](=O)[O-])c1 788710286 HDHAFSBLQDUICK-FZKQIMNGSA-N 436.434 4.038 5 20 IIBD COc1nc(Br)ccc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 789702867 YUHDVTKCRYAUFI-UHFFFAOYSA-N 432.683 4.145 5 20 IIBD CN1CCC2(CC1)C[C@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1ccccc1O2 790524954 OCPROAUTHOCSHG-SFHVURJKSA-N 447.894 4.034 5 20 IIBD COCCOc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)c(C)c1 791430864 GSLVBWUUFGLCRM-UHFFFAOYSA-N 435.285 4.036 5 20 IIBD CC(C)([C@H](OC(=O)c1cccc(-c2nc[nH]n2)c1)c1ccc(Br)cc1)[N+](=O)[O-] 793203413 KTBRTDQJLZGTAT-MRXNPFEDSA-N 445.273 4.188 5 20 IIBD COC(=O)c1cc(F)cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c1F 794241058 YPYBXHOOCZHSPF-UHFFFAOYSA-N 433.411 4.148 5 20 IIBD C[C@@H](OC(=O)CCCc1ccccc1N)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 798683519 XSPBYCGJEXUMOS-GFCCVEGCSA-N 439.390 4.089 5 20 IIBD COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)C1 803496078 AUMJMXNETKRMKQ-GOSISDBHSA-N 448.463 4.301 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N(Cc2ccco2)Cc2ccco2)c1Cl 809388533 SNAAXEXGBSXUEY-UHFFFAOYSA-N 431.253 4.479 5 20 IIBD C[C@H](OC(=O)[C@@H]1CCCCCC(=O)C1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 811382692 OVKHMWGKUOPYOX-DZGCQCFKSA-N 445.497 4.128 5 20 IIBD Cc1c(CC(=O)N(CC2CCOCC2)c2ccc(Br)cn2)cccc1[N+](=O)[O-] 813377328 KJPFTNRZOJTOET-UHFFFAOYSA-N 448.317 4.063 5 20 IIBD C[C@H](OC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C(=O)N(c1nccs1)C1CCCCC1 824482580 APYJHFZEGKKDEN-ZDUSSCGKSA-N 442.497 4.444 5 20 IIBD CC(=O)Nc1cccc(NC(=O)[C@H](OC(=O)c2cc([N+](=O)[O-])ccc2Cl)C(C)C)c1 877043544 LYQQAHCBONAFGH-GOSISDBHSA-N 433.848 4.027 5 20 IIBD Cc1c(C(=O)Nc2nnc(SCc3ccccc3)s2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 887558311 CZUIGKPBSGSATI-UHFFFAOYSA-N 431.455 4.208 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 914743578 FMVFAFHLXIHIFY-URLYPYJESA-N 427.345 4.300 5 20 IIBD Cc1nc(-c2cccs2)sc1C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 914798314 GRNVAOZLSGCOTE-UHFFFAOYSA-N 428.451 4.495 5 20 IIBD C[C@@H](OC(=O)c1cc(Cl)ccc1N)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 916613729 TTXHSPMXJOYTBU-SNVBAGLBSA-N 446.872 4.138 5 20 IIBD O=C(COC(=O)c1ccccc1[N+](=O)[O-])NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 918848272 HCEQZOHQNABSCN-FQEVSTJZSA-N 443.459 4.181 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(O[C@@H](C)c2ccccc2)nc1 919213647 GVVOODAONNRAFK-INIZCTEOSA-N 435.436 4.234 5 20 IIBD C[C@H](OC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1nc(-c2cccs2)no1 920550249 GWHRNCOSCSEGOU-NSHDSACASA-N 425.426 4.025 5 20 IIBD C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Br)CC[C@@H]1NC(=O)OC(C)(C)C 1116673856 NXVFRORYBAESRV-LRDDRELGSA-N 428.327 4.092 5 20 IIBD Cc1c(Br)cc(-c2nnc(-c3nnc(-c4ccccc4)o3)o2)cc1[N+](=O)[O-] 1261569691 QCGDZUORLYLJBE-UHFFFAOYSA-N 428.202 4.433 5 20 IIBD O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)NCCc1ccccc1[N+](=O)[O-] 1263064706 ISRATVNOMBBJAT-UHFFFAOYSA-N 448.854 4.296 5 20 IIBD O=C(NCCc1ccccc1)c1ccc(NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc1 1318811987 RQRWZLKFRKSUFZ-UHFFFAOYSA-N 430.464 4.115 5 20 IIBD Cn1cc([C@H](NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c2ccccc2)cn1 1320884067 WHLWUEMPLLJJHK-XMMPIXPASA-N 442.475 4.427 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN(C)Cc2cc(C(C)(C)C)n[nH]2)c1=S 1339256569 FNEGDMBQZIVYPZ-UHFFFAOYSA-N 429.550 4.119 5 20 IIBD C[C@H](OC(=O)CCNc1ccccc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 1339839919 APVDEGPTOQVEAQ-AWEZNQCLSA-N 440.481 4.091 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC1(c2ccc(NC(=O)C(C)(F)F)cc2)CCC1 1787934145 UWPURCNMYOSRCD-UHFFFAOYSA-N 446.454 4.064 5 20 IIBD C[C@H]1CCc2c(C(=O)Nc3ccc(C4(NC(=O)c5ccc([N+](=O)[O-])o5)CCC4)cc3)n[nH]c21 1789007937 MPYLPMSSPNCLIR-ZDUSSCGKSA-N 449.467 4.022 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)CCC1)c1cccc(Cl)c1 1789689264 ABGKRTLHBWKPSW-UHFFFAOYSA-N 439.859 4.033 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4F)cc3)CCC2)on1 1790622757 SAYNDUXIIVVHKF-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD Cc1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)CC(C)(C)C)n[nH]2)cc1[N+](=O)[O-] 1816760266 AKECFRACPTYNJT-SFHVURJKSA-N 441.532 4.297 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@@H]2CCCCN2C(=O)CCC2CCCC2)CC1 1826264301 OMCGABMTZLCJQO-IBGZPJMESA-N 431.533 4.392 5 20 IIBD Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@]3(C)C[C@@H]3C)CC2)cc1[N+](=O)[O-] 1830364582 DALAYRCSOVEVPE-NXQMDHLFSA-N 441.572 4.112 5 20 IIBD COc1ccc2c(C)cc3nnc(S[C@H](C)C(=O)Nc4cccc([N+](=O)[O-])c4)n3c2c1 9220288 SFKPLDVXOVMNQG-CYBMUJFWSA-N 437.481 4.227 5 20 IIBD Cc1cccc(C(=O)OCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)c1[N+](=O)[O-] 10330985 CNUUPVNBYPBPGH-IBGZPJMESA-N 428.441 4.166 5 20 IIBD CC(C)OCc1c(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)oc2ccccc12 10915127 UJHZAKSCBJVSDF-AWEZNQCLSA-N 426.425 4.450 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)cc1 13953780 NHLAXPFREGSFLY-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)C(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 15714393 VGYZNVHCTWYKHS-INIZCTEOSA-N 434.448 4.306 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@H](C)Sc1ccc(Cl)cc1 21610582 RAIYMIJQZVGUTM-NEPJUHHUSA-N 438.889 4.308 5 20 IIBD Cc1nn(-c2ccccc2)c(Cl)c1C(=O)O[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 21691696 YRJMCMQRFQKPNV-LBPRGKRZSA-N 446.822 4.065 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H]3CCCC[C@H]3C)cc2)cc1[N+](=O)[O-] 21875685 MISVORFRGRFTOT-AUUYWEPGSA-N 431.514 4.013 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1ccc(Br)cc1 21920629 QTLYHTZSIPPNFX-NSHDSACASA-N 426.698 4.470 5 20 IIBD CCn1c(SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])nnc1-c1ccccc1OC 36803501 BUGDJBMYKNMPNV-UHFFFAOYSA-N 447.904 4.266 5 20 IIBD CC(=O)N[C@H](CC(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1)c1cccs1 105472382 AJNBLYKLYVPQGS-CQSZACIVSA-N 430.511 4.294 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCC(=O)c1ccc2c(c1)OCCCO2 106920796 GEYAWXSOWXTOQJ-UHFFFAOYSA-N 432.860 4.031 5 20 IIBD Cc1c(C(=O)Nc2cccc(OCc3cccc(F)c3)c2)nnn1-c1cccc([N+](=O)[O-])c1 108374458 SPWOELAMKNOCCG-UHFFFAOYSA-N 447.426 4.454 5 20 IIBD Cc1nc(CC(C)C)sc1C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 110597666 UBKXZWVUSHXZJV-INIZCTEOSA-N 433.530 4.371 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NC[C@H](O)c1c(Cl)cccc1Cl 301334543 FUHSJOFRDAMWGL-ZDUSSCGKSA-N 441.239 4.043 5 20 IIBD O=[N+]([O-])c1ccc(NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C(F)(F)F 301432711 HMMLEPQQMRMXPZ-UHFFFAOYSA-N 429.420 4.010 5 20 IIBD CC(C)(CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Cl)cc1 303545999 ZHXQWQJNCBDSQY-OAHLLOKOSA-N 435.933 4.008 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(CCCO)[C@H]1CCc2ccccc21 426258889 VVMDAMJYIHOSEL-IBGZPJMESA-N 437.418 4.195 5 20 IIBD Cc1c(Cl)cccc1NC(=O)CCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 426299625 XXPLTFOTOOWUKH-UHFFFAOYSA-N 430.892 4.259 5 20 IIBD O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)c1 426993989 FRDFJYYLSSGUJT-WIYYLYMNSA-N 442.903 4.215 5 20 IIBD O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1C[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 427896613 QZIYHBYUNKDTEI-FGZHOGPDSA-N 442.519 4.251 5 20 IIBD NC(=O)N1CCCc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)cc21 427945555 GZEUWMBVYYHDSC-UHFFFAOYSA-N 445.479 4.291 5 20 IIBD CC(C)N(Cc1nc(O)c2ccccc2n1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] 429939204 VKPYIAABXLZWHZ-UHFFFAOYSA-N 445.273 4.057 5 20 IIBD O=C(NCCCOc1cccc2cccnc12)c1ccc(Br)cc1[N+](=O)[O-] 431027844 LEKKNRXXWWVOIX-UHFFFAOYSA-N 430.258 4.104 5 20 IIBD CCc1nc(CN2CCC(CNC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)CC2)cs1 431688334 UDFWOZFMMNYBTB-UHFFFAOYSA-N 445.589 4.060 5 20 IIBD Cc1nc(N2CCSC(C)(C)CC2)nc(N2CCSC(C)(C)CC2)c1[N+](=O)[O-] 432929897 ZXQGOWJSHDQTKW-UHFFFAOYSA-N 425.624 4.137 5 20 IIBD CCNC(=O)Nc1cccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1C 433742354 NELIYQDPIKDYLA-UHFFFAOYSA-N 441.488 4.120 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC[C@H]([C@@H](O)C(F)(F)F)C1 433789953 SCFSCEMYWXORQH-BJOHPYRUSA-N 434.212 4.045 5 20 IIBD CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 436492328 ZEGHCQPADQZTFC-LJQANCHMSA-N 437.500 4.148 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1O 436747231 LTSNSYWQMIAUBC-UHFFFAOYSA-N 427.363 4.392 5 20 IIBD CC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 438800789 OOEUMQRJASVRGN-JTQLQIEISA-N 446.312 4.231 5 20 IIBD CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 440545455 VAVKYNKSLVAPAO-QUCCMNQESA-N 427.570 4.446 5 20 IIBD Cc1nc(CNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)sc1C 440595359 DAXHZNVZBBEDEY-UHFFFAOYSA-N 426.285 4.091 5 20 IIBD C[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[C@@H]1CCN(Cc2ccccc2)C1 444300809 JKDAOKVCGVGUPS-WIYYLYMNSA-N 425.532 4.322 5 20 IIBD CCOc1ccc(NC(=O)CNc2c(F)cc(Br)cc2F)c([N+](=O)[O-])c1 444398340 FYIUPOYZKIMAGM-UHFFFAOYSA-N 430.205 4.085 5 20 IIBD COc1ccc(C(C)(C)CNC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1OC 445178582 DOJZMPXKHZCHAV-UHFFFAOYSA-N 443.319 4.144 5 20 IIBD Cc1nn(CCc2nc(C(C)(C)c3ccc(OC(F)(F)F)cc3)no2)c(C)c1[N+](=O)[O-] 445669839 IFZNVTFDOKCHFB-UHFFFAOYSA-N 439.394 4.258 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNCc3ccc(N4CCCS4(=O)=O)cc3)s2)cc1 461409376 UYVBUJMBJWDEHF-UHFFFAOYSA-N 443.550 4.153 5 20 IIBD O=C(NC[C@@H]1CCCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1Br 461467455 PLXCNKHBIAYNPW-KRWDZBQOSA-N 446.345 4.389 5 20 IIBD C[C@@H](Nc1ccc([N+](=O)[O-])c(N)c1F)c1ccc(Br)cc1OCCCO 461984673 OPVZMHIODRJEJG-SNVBAGLBSA-N 428.258 4.013 5 20 IIBD COc1cc(OC)cc([C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)c2nccn2C)c1 462094829 CGSBDWYKGTWFGL-SFHVURJKSA-N 434.399 4.148 5 20 IIBD O=C(NCc1cc(Br)cc2c1OCC2)c1c([N+](=O)[O-])cccc1C(F)(F)F 462834855 AYFHSNNEQUGPLS-UHFFFAOYSA-N 445.191 4.241 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 470697597 SPPDFXPTYUDFBR-MRXNPFEDSA-N 426.231 4.284 5 20 IIBD CC[C@H]1CN(C(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])CC[C@H]1c1ccccc1 470748029 ZYVDRZPBRJIHIY-FXAWDEMLSA-N 441.528 4.380 5 20 IIBD Cc1sc(CCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])nc1-c1ccccc1 472354705 IYKKJABFJVCHJC-UHFFFAOYSA-N 437.930 4.201 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 473513573 GDSFESGABLEGPB-RUZDIDTESA-N 432.524 4.064 5 20 IIBD COc1cc(CN(C)C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)ccc1O 473896045 QOYFHSGNZJUEBA-OAHLLOKOSA-N 436.468 4.149 5 20 IIBD COc1cc(C(=O)NCc2ccccc2-c2ccc(CN(C)C)cc2)c([N+](=O)[O-])cc1OC 476125035 ABWHNMUZTOQAEC-UHFFFAOYSA-N 449.507 4.271 5 20 IIBD Cc1cc(F)c(Br)cc1NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 476472889 SXQRGTRBHLOTCB-UHFFFAOYSA-N 434.221 4.371 5 20 IIBD Cc1ccc(-n2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nnc2-c2ccccn2)cc1 479748497 OUQNFPRXDSAUAX-UHFFFAOYSA-N 446.492 4.277 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCC(C(F)F)CC2)c([N+](=O)[O-])c1 481812807 JAEGGLHUNRBLCD-UHFFFAOYSA-N 439.484 4.292 5 20 IIBD CCOc1cc(C(=O)Nc2sc(C(C)(C)C)cc2C(=O)OC)c([N+](=O)[O-])cc1OC 483060887 TYKZBJOSRPWVEF-UHFFFAOYSA-N 436.486 4.400 5 20 IIBD C[C@@H](NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1cccc([N+](=O)[O-])c1 484379543 UVWJJGUTTRODES-OAHLLOKOSA-N 429.473 4.386 5 20 IIBD COc1cc(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)cc([N+](=O)[O-])c1C 484579680 AWPDFPLNGWDBCW-UHFFFAOYSA-N 449.286 4.445 5 20 IIBD Cc1c(CNC(=O)Nc2ccnn2Cc2cccc(Br)c2)cccc1[N+](=O)[O-] 484768795 MDEFSFNMFJUWAM-UHFFFAOYSA-N 444.289 4.232 5 20 IIBD COC(=O)[C@@H](C)[C@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccccc1 486191313 JMECUGUQJZGFIH-SBUREZEXSA-N 448.475 4.454 5 20 IIBD CSc1nnc(CCCNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])n1C1CCCC1 488650214 XZHGRBVSNLUDES-UHFFFAOYSA-N 446.577 4.190 5 20 IIBD CCNC(=O)Nc1ccc(C)c(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 488677994 UBBSUQWMBOCWFO-UHFFFAOYSA-N 428.492 4.243 5 20 IIBD CC[C@@H](NC(=O)Nc1nnc(Cc2cccc(OC)c2)s1)c1cccc([N+](=O)[O-])c1 489920062 BKGVRJSQDPIFMG-QGZVFWFLSA-N 427.486 4.319 5 20 IIBD O=C(Nc1ccn(-c2ncccc2C(F)(F)F)n1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 494278930 FPPYRHUEHKWFGO-UHFFFAOYSA-N 446.389 4.391 5 20 IIBD O=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)c1cc([N+](=O)[O-])ccc1OC(F)F 498185393 XUDJXMSJVZNRNZ-CYBMUJFWSA-N 426.347 4.145 5 20 IIBD COc1cc(CCNC(=O)c2ccc(Sc3ccccn3)cc2)c([N+](=O)[O-])cc1OC 499100167 KDBINFFLXLDWLT-UHFFFAOYSA-N 439.493 4.131 5 20 IIBD COc1cc(CNc2ccccc2C(=O)N2CCCCC2)c([N+](=O)[O-])cc1OCC(F)F 502622750 OMXSVODAUXTALO-UHFFFAOYSA-N 449.454 4.486 5 20 IIBD O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)cc1 503708601 OAFFTGGJGLBUCK-OAQYLSRUSA-N 445.928 4.089 5 20 IIBD O=C(NCCc1ccn(-c2ccccc2)n1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 505727304 YHPIZOKBSGWTCP-UHFFFAOYSA-N 441.491 4.365 5 20 IIBD CC(C)c1cc(Br)ccc1NC(=O)C(=O)N(C)CCc1ccccc1[N+](=O)[O-] 506745909 ZPANTIGFIQVPKJ-UHFFFAOYSA-N 448.317 4.120 5 20 IIBD CCNC(=O)c1ccc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 507405115 QJRCNTGGUZRAFL-HNNXBMFYSA-N 433.468 4.165 5 20 IIBD CN(CCCCCc1cc(-c2ccccc2)no1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 509638056 HXJWFZOAMITVNI-UHFFFAOYSA-N 447.488 4.422 5 20 IIBD COC(=O)C[C@@H](C)NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 510121730 XGYOENWVNXPATR-RGHBXIHOSA-N 439.493 4.203 5 20 IIBD Cc1nn(C)c(C(=O)NC2(c3noc(C4CCCCC4)n3)CCCCCC2)c1[N+](=O)[O-] 511206935 PPILPIWGTZFRSA-UHFFFAOYSA-N 430.509 4.047 5 20 IIBD C[C@@H](NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1)c1cccc([N+](=O)[O-])c1 511928265 UOTZFVNFTKHFNM-CQSZACIVSA-N 443.456 4.026 5 20 IIBD CCN(C(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-])c1ccc(F)cc1 512590361 MKNBBBPOGIDPLK-UHFFFAOYSA-N 431.445 4.445 5 20 IIBD O=C(CC(F)(F)F)Nc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 513044840 YPZJWNDEPCXQRI-UHFFFAOYSA-N 436.390 4.338 5 20 IIBD CCOc1cccc(CN[C@H](c2ccc([N+](=O)[O-])cc2)c2nccn2C)c1OC(F)F 513677991 GEVMZIQTGGTDFJ-GOSISDBHSA-N 432.427 4.208 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N(C)C[C@H]2CCCCO2)cc1[N+](=O)[O-] 516138533 XHCYBWFPLDNVAE-MRXNPFEDSA-N 428.510 4.189 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)cn2)cc1C 518614938 JDJZGWCQGBTXBS-UHFFFAOYSA-N 441.465 4.055 5 20 IIBD CS(=O)(=O)Nc1cccc(CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)c1 520211278 DYUIRYVAKAKTOP-UHFFFAOYSA-N 445.472 4.188 5 20 IIBD Cc1cnn([C@H]2CCCc3ccccc32)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 520740514 RSYPGSRHQPNJTD-SFHVURJKSA-N 446.916 4.480 5 20 IIBD C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1 521379672 BVDRLQFMJWTHPA-INIZCTEOSA-N 433.468 4.047 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](CCO)c1ccc(Cl)cc1 521494798 UVHIYWJAFPXUCH-INIZCTEOSA-N 427.682 4.173 5 20 IIBD O=C(Nc1cccc(CS(=O)(=O)c2ccccc2)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 521984327 WMDIFJGGDUFLKM-UHFFFAOYSA-N 435.461 4.302 5 20 IIBD COc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1OCc1cn2ccccc2n1 525145795 SYSDJKPWVRMVMH-UHFFFAOYSA-N 432.436 4.011 5 20 IIBD COc1cc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCc1cccnc1 530875284 MKAWRGJJJRZVLU-UHFFFAOYSA-N 433.420 4.254 5 20 IIBD COc1ccc(CNc2ccc(-n3ccnn3)cc2)cc1OCc1ccc([N+](=O)[O-])cc1 532728585 XXICTTZOMWUFFC-UHFFFAOYSA-N 431.452 4.375 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 532924749 FGFVYEWHJGMCLG-UHFFFAOYSA-N 440.525 4.295 5 20 IIBD Cc1cc(C(=O)N[C@@H](C)c2ccccc2NS(=O)(=O)c2cccs2)ccc1[N+](=O)[O-] 533151032 WVAWNWVWJUMCBB-AWEZNQCLSA-N 445.522 4.257 5 20 IIBD O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)c1cn(Cc2ccccc2)c2ccccc2c1=O 534848370 MLQBWCWZUVYDLP-UHFFFAOYSA-N 439.431 4.087 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 538548953 WCSTYNJGCNKAKQ-UHFFFAOYSA-N 449.554 4.180 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12 539705255 ANJDBBZUOBOLHM-MRXNPFEDSA-N 427.526 4.302 5 20 IIBD Cc1cccc(C2=CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Br)CC2)c1 539947270 UZAQTDTVGWFVBG-UHFFFAOYSA-N 437.315 4.144 5 20 IIBD O=[N+]([O-])c1cc2c(c(CN3CCC[C@H](c4n[nH]c(C5CCCCC5)n4)C3)c1)OCOC2 540864115 KRTOKAXJQNHDBZ-INIZCTEOSA-N 427.505 4.007 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])N(CCc1ccccn1)Cc1ccc(F)cc1 542218773 YYGWIZWOTVRIFF-UHFFFAOYSA-N 425.485 4.493 5 20 IIBD C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NCc1cc([N+](=O)[O-])ccc1OC(F)F 542701420 DYHFEIHDLCLNFX-OAHLLOKOSA-N 448.470 4.303 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1 544572107 HUVFORUTLVYVNJ-RBUKOAKNSA-N 442.459 4.313 5 20 IIBD C[C@@]1(c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)CCCN1C(=O)c1ccccc1 545077082 OWNLLVRVJJJVQV-QHCPKHFHSA-N 431.452 4.201 5 20 IIBD O=C(Cc1noc(-c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)n1)NCc1ccccc1 545882186 GQGOOENGEXDALG-UHFFFAOYSA-N 429.436 4.247 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccc(F)cc1Br 546666167 OGTQRSYQPSSKMJ-SNVBAGLBSA-N 427.226 4.301 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CCc3nc(-c4cc(Br)cs4)no3)n2)cc1 546965417 HEFNYDFUMBAFEA-UHFFFAOYSA-N 448.258 4.304 5 20 IIBD Cc1ccc(-c2ccnn2C)cc1NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 556555126 UYCBMVKEKWEJHT-UHFFFAOYSA-N 435.484 4.178 5 20 IIBD CC[C@H](CO)NC(=O)c1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 559225292 FZJMRXZOCISXFM-QGZVFWFLSA-N 425.510 4.436 5 20 IIBD O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CCCC[C@H]1c1ccccc1 560216382 RWTSAXAVRRLUAV-KRWDZBQOSA-N 432.274 4.050 5 20 IIBD COc1ccccc1O[C@@H]1CCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 560788756 QHKCQFHPHIPMKA-MRXNPFEDSA-N 434.876 4.096 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC(F)(c2cc(OC)cc(OC)c2)CC1 574021809 RIVBXHCJJZEZED-UHFFFAOYSA-N 432.448 4.112 5 20 IIBD COc1ccc(Cl)cc1[C@@H](CC(C)C)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 576915142 SMTOZROWFXFGMA-MRXNPFEDSA-N 427.910 4.104 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1nnc(Cc2ccccc2)s1 585697479 YJHBYCVJKIQFDM-UHFFFAOYSA-N 433.287 4.360 5 20 IIBD O=C(N[C@H]1CCCN(C(=O)N2CCCC2)C1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 587520609 ABVVNWBFWAFFGD-INIZCTEOSA-N 446.573 4.040 5 20 IIBD O=C(C[C@@H]1CCCC(=O)N1)Nc1cc([N+](=O)[O-])ccc1Nc1cccc(C(F)(F)F)c1 588824603 BKFPEPLIEYRVBT-AWEZNQCLSA-N 436.390 4.355 5 20 IIBD COc1ccc(CN2C[C@H](N3CCCC3)C[C@@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 589188813 QYCXGVBOOFRAHW-PGRDOPGGSA-N 425.529 4.241 5 20 IIBD CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 590235727 JYIJUNLDGZOWCP-LJQANCHMSA-N 441.450 4.257 5 20 IIBD COc1cc(C(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)c([N+](=O)[O-])cc1OC 603641684 OMDLDQRSAJIVOR-OAHLLOKOSA-N 437.452 4.077 5 20 IIBD O=C(Cn1cc(Br)c([N+](=O)[O-])n1)N1c2ccccc2CCc2ccccc21 603948259 FSRQJPJHJNOTFH-UHFFFAOYSA-N 427.258 4.017 5 20 IIBD CCNc1ccc(C(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)cc1[N+](=O)[O-] 604006461 OKYVTJVBRNCECR-UHFFFAOYSA-N 436.443 4.348 5 20 IIBD COc1ccc(OC2CCN(C(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 604445134 AKFNYROSKYYBKU-AWEZNQCLSA-N 434.876 4.094 5 20 IIBD CCC(CC)C(=O)N1CCN(c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])CC1 608972432 JLZGUFWGGUDHKX-UHFFFAOYSA-N 438.528 4.240 5 20 IIBD CC(=O)Nc1ccc(C(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)cc1 609816726 FVPQTGALJDQFLC-UHFFFAOYSA-N 431.408 4.251 5 20 IIBD CCOc1ccc(-c2nc(C)c(C(=O)Nc3cc(C(=O)OC)cc([N+](=O)[O-])c3)s2)cc1 609839017 YCVLFPWJRZNWQX-UHFFFAOYSA-N 441.465 4.464 5 20 IIBD C[C@@H]1CN(Cc2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H](C)O1 610041079 PIUAHNSBVHDPEE-ZIAGYGMSSA-N 448.317 4.219 5 20 IIBD Cc1ccc(NCCCNC(=O)CCc2ncc(-c3ccccc3F)o2)c([N+](=O)[O-])c1 610052985 SUFFZPRUKDTRLI-UHFFFAOYSA-N 426.448 4.248 5 20 IIBD O=C(Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)c1ccc([N+](=O)[O-])cc1Br 610069215 DUAPYPTYOUCIES-ZDUSSCGKSA-N 438.253 4.340 5 20 IIBD CCCOc1cccc(CNC(=O)CSc2nc3cc4ccccc4cc3c(=O)n2C)c1 613973299 UTUJYJHTNXTDAP-UHFFFAOYSA-N 447.560 4.284 5 20 IIBD Cc1ccc(CN(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Br)C2CC2)cc1 725985487 LKYHFHGUSWBNKV-UHFFFAOYSA-N 447.285 4.014 5 20 IIBD CC(C)(C(=O)NCCCN1c2ccccc2Sc2ccccc21)n1cc([N+](=O)[O-])cn1 726526690 WXLOFNPYQMPELT-UHFFFAOYSA-N 437.525 4.336 5 20 IIBD COc1c(C)cnc(CN2CCC(N(C)C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)c1C 728502514 LHSDVGZNSYZXOG-UHFFFAOYSA-N 446.935 4.005 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)CC[C@@H]2CCCCO2)c2ccccc2)c([N+](=O)[O-])c1 732379283 DFJWDUGBHDXWCH-PGRDOPGGSA-N 426.469 4.476 5 20 IIBD COc1cc(CNCc2nc(-c3ccccc3)n[nH]2)ccc1OCc1ccc([N+](=O)[O-])cc1 733901019 YJGRBKAQBORLHN-UHFFFAOYSA-N 445.479 4.257 5 20 IIBD COC[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)c1cccc(C(F)(F)F)c1 735639030 WVDZIFXHCKSVTC-HNNXBMFYSA-N 441.362 4.256 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3ccc(N4CCOC[C@@H]4C)cc3)cc2[N+](=O)[O-])CC1 737726397 QNHMWQVCOGNRIP-SFHVURJKSA-N 438.528 4.309 5 20 IIBD CCCc1[nH]nc(C(=O)Nc2cccc(CN(CC)C(=O)OC(C)(C)C)c2)c1[N+](=O)[O-] 737792418 NCHNHUREIRUZRA-UHFFFAOYSA-N 431.493 4.280 5 20 IIBD CS(=O)(=O)c1cccc([C@@H](NCc2cc(F)ccc2[N+](=O)[O-])c2ccc(F)cc2)c1 742263153 IYQXQHPJZREFTP-NRFANRHFSA-N 432.448 4.156 5 20 IIBD CCOC(=O)c1ccnc(Nc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)c1[N+](=O)[O-] 742425808 IMWWEVXSVWKZKH-CYBMUJFWSA-N 430.461 4.496 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cccc(OCC=C(C)C)c1 745345950 OLVASIFFLCGTRD-HNNXBMFYSA-N 428.441 4.132 5 20 IIBD C[C@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 745973417 CFHIMDUEMRNCAD-LBPRGKRZSA-N 440.403 4.247 5 20 IIBD Cc1c(C(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748724451 BSGPJAMHEKZSBH-AWEZNQCLSA-N 432.864 4.030 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OC[C@@H]1CCCN(C(=O)c2ccccc2)C1 749073916 IXOGWCPWQHBQFY-DLBZAZTESA-N 428.510 4.171 5 20 IIBD CCN(Cc1cccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1)C(=O)C(F)(F)F 749973193 ZCNPQGFECXUMCG-UHFFFAOYSA-N 429.782 4.411 5 20 IIBD O=C(c1ccc(-c2cnco2)cc1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 750583651 SMNTUUXZGFXTJQ-UHFFFAOYSA-N 428.242 4.211 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1ccc2nc(N3CCCC3)sc2c1 751271652 WVDBKMMOHIFBEQ-UHFFFAOYSA-N 438.918 4.259 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ccnc(OCC(F)F)c2)cc1)c1cccc([N+](=O)[O-])c1 758157531 WZYMSYSGJZIASS-UHFFFAOYSA-N 443.362 4.105 5 20 IIBD Cc1cc(F)cc(C(=O)Nc2cnc(Br)c(Br)c2)c1[N+](=O)[O-] 758596312 RATRSYVTJSIJPU-UHFFFAOYSA-N 433.031 4.215 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cc(Br)c(F)cc1F 759028746 HVXGCJNVENWLRB-UHFFFAOYSA-N 440.156 4.043 5 20 IIBD C[C@@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(C(=O)c2ccccc2)c1 761487953 RLQZJBRTWUHMHZ-MRXNPFEDSA-N 432.432 4.111 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(=O)Nc1ccc(Br)cc1 763717685 QAULFRSAGHXYFC-SECBINFHSA-N 427.638 4.195 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 766190200 BXQLKGXHQXTLQW-DYESRHJHSA-N 432.565 4.237 5 20 IIBD CN(C)C(=O)c1cc(F)ccc1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 767141729 PYKSCYNMBBBXFQ-UHFFFAOYSA-N 436.443 4.300 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(F)cc3C(=O)N(C)C)cc2[N+](=O)[O-])C1 767147084 DRWIJUAZNHBDCA-GASCZTMLSA-N 442.491 4.170 5 20 IIBD C[C@H](c1nc(-c2ccccc2)no1)N1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 768541206 GEUJNLKKALZMMV-OAHLLOKOSA-N 427.892 4.177 5 20 IIBD O=C(Nc1cccc(CNC(=O)c2cc(F)c([N+](=O)[O-])cc2F)c1)c1cccc(F)c1 769487083 KPZLAAZUIGKEHV-UHFFFAOYSA-N 429.354 4.194 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cc(Cl)cc(Br)c1F 769513202 AVHGIHILHYVBPP-UHFFFAOYSA-N 446.612 4.373 5 20 IIBD CC(C)=CC(=O)NCc1ccc(C(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)cc1 773438891 NXXQFXWWMQHBLB-UHFFFAOYSA-N 447.285 4.297 5 20 IIBD CC(C)(C)OC(=O)N1CCc2ncc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)cc2C1 774021428 GNTNIJCCKSWJHZ-UHFFFAOYSA-N 446.891 4.118 5 20 IIBD C[C@H](OC(=O)c1ccccc1OC(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 775109132 JFAHJCMXOBWQDG-VIFPVBQESA-N 432.738 4.331 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2C 776894561 HQTNSGSYKYEPOC-AWEZNQCLSA-N 427.526 4.497 5 20 IIBD CC(C)([C@@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1)[N+](=O)[O-] 777361986 AFKKUVJRNVDCOZ-KRWDZBQOSA-N 437.246 4.240 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Oc2cncc(Cl)n2)CC1 777867527 RTYLBRXTRGWWPE-UHFFFAOYSA-N 436.921 4.222 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Oc1cccc(C(=O)Nc2ccccc2)c1 777985522 RVTWGEJGSKYOSK-UHFFFAOYSA-N 430.413 4.062 5 20 IIBD Cc1cc(C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)nn1-c1ccc(Cl)cc1 778145631 CHKFWWRGUPAIJE-UHFFFAOYSA-N 439.815 4.149 5 20 IIBD O=C(Nc1ccccc1C(=O)NCc1ccco1)c1ccc2[nH]c3ccccc3c(=O)c2c1 780301370 PBWSVSLOTJLYJZ-UHFFFAOYSA-N 437.455 4.457 5 20 IIBD CC(C)n1c([C@H](C)NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc2ccccc21 781981564 WOLXARWZBFVDSD-AWEZNQCLSA-N 425.445 4.244 5 20 IIBD Cc1ccc(-c2nc(CCNC(=O)c3cccc([N+](=O)[O-])c3Br)co2)cc1 782168679 BWYYPLONKHUDJC-UHFFFAOYSA-N 430.258 4.293 5 20 IIBD C[C@@H](OC(=O)c1c(Cl)ccc(Cl)c1N)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 785620912 VBRHKJKZHUZORN-SSDOTTSWSA-N 432.647 4.321 5 20 IIBD C[C@@H](CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(C(F)(F)F)cc1 786028954 VZCUFFJWVQCPKG-JTQLQIEISA-N 429.782 4.125 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)C[C@H](C)c2c[nH]c3ccccc23)c([N+](=O)[O-])c1 787220380 ZLXJODVABFKCCS-UONOGXRCSA-N 425.441 4.149 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCc1cncc(Br)c1 790244541 XJDXYMCBXLKJKQ-UHFFFAOYSA-N 430.052 4.180 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCCCc1nc(-c2ccncc2)cs1 790631909 GTAQXUJVRQCTNQ-UHFFFAOYSA-N 434.880 4.197 5 20 IIBD CN(CC1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1)C(=O)OC(C)(C)C 790644681 COJJNBMYNKMQLB-UHFFFAOYSA-N 443.903 4.035 5 20 IIBD COc1cccc(CCC(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 792725254 KVHWGMSEFNUBLY-LBPRGKRZSA-N 440.374 4.125 5 20 IIBD CCCc1[nH]nc(C(=O)O[C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)c1[N+](=O)[O-] 796260416 UDKCUQLAQRAFIV-VIFPVBQESA-N 439.350 4.257 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN(Cc3ccccc3)C[C@H](O)c3ccccc3)o2)cc1 796362460 WJBMRZZHZZKMOF-QFIPXVFZSA-N 430.464 4.381 5 20 IIBD CC(=O)c1oc2cc(C)ccc2c1CC(=O)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 805923828 QFWIVJUBBZPLES-MRXNPFEDSA-N 440.427 4.356 5 20 IIBD C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 807454645 RQONTEUQWQZWES-LLVKDONJSA-N 443.809 4.295 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)c3ccccc32)c1C 809861786 AAYPHWIRVWZTOJ-UHFFFAOYSA-N 447.513 4.162 5 20 IIBD CC1(C)CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@@](C)(C(F)(F)F)O1 818182809 OMSQRTFLICMCMH-AWEZNQCLSA-N 443.191 4.068 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 819990326 WTHYIKHANXDFTM-KRWDZBQOSA-N 443.504 4.232 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(=O)N1CCCc2ccccc21 823252761 OICKAFQBCLVQRQ-QGZVFWFLSA-N 437.496 4.110 5 20 IIBD C[C@H](OC(=O)[C@H](C)Oc1ccc2c(c1)CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 915485984 RUICKIJPSDZZBQ-STQMWFEESA-N 432.860 4.075 5 20 IIBD CCC(CC)N(C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C1CC1 916052973 QXFFMVDUJFDHSZ-UHFFFAOYSA-N 432.498 4.156 5 20 IIBD C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 917674527 VWZJZDVREDXFRP-ZDUSSCGKSA-N 448.882 4.453 5 20 IIBD CN(C(=O)c1csc([N+](=O)[O-])c1)c1cccc(NC(=O)c2csc([N+](=O)[O-])c2)c1 917698392 IRLMFBCVXSORHN-UHFFFAOYSA-N 432.439 4.155 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)COC2CCCCC2)c2ccccc2)c([N+](=O)[O-])c1 919373155 ZQHCLMOCLHAUST-JOCHJYFZSA-N 426.469 4.476 5 20 IIBD Cc1nc(-c2ccccc2)c(C(=O)OCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 920149202 UZAQBWBEDCEFMA-UHFFFAOYSA-N 445.884 4.267 5 20 IIBD CC(C)Oc1cccc(CC(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)c1 921000970 JUJVHTCTYRJKKI-UHFFFAOYSA-N 438.484 4.412 5 20 IIBD O=C(O)c1ccc(-c2ccc(/C=C\c3ccnc(-c4cccc([N+](=O)[O-])c4)[n+]3[O-])o2)cc1 1116001401 XKLRQYBWKHHXAS-HJWRWDBZSA-N 429.388 4.419 5 20 IIBD Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN(C)CCc2ccccc2[N+](=O)[O-])cs1 1322062215 XEIUEWYJJMYRCT-UHFFFAOYSA-N 436.537 4.090 5 20 IIBD COCc1nc(OC)c2c(C)c(-c3nc(-c4cc(C)c([N+](=O)[O-])cc4C)no3)sc2n1 1325468927 IJXWSZUDZZDVCT-UHFFFAOYSA-N 441.469 4.397 5 20 IIBD CN(c1ccccc1)S(=O)(=O)c1ccccc1-c1nnc(-c2cccc([N+](=O)[O-])c2)o1 1326050403 YOOBCUIEAZRIIG-UHFFFAOYSA-N 436.449 4.137 5 20 IIBD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(-c3cc4cc([N+](=O)[O-])ccc4o3)o2)c1 1327895538 LKYFQMDPYJQQNB-UHFFFAOYSA-N 442.453 4.089 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3cc([N+](=O)[O-])cc4c3OCC4)CCC2)cc1)c1ccco1 1787270708 RQPYPLKPPSGYML-UHFFFAOYSA-N 447.447 4.184 5 20 IIBD O=C(CCc1ccoc1)Nc1ccc(C2(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)CCC2)cc1 1791955699 IFFISDPQGDPCBW-UHFFFAOYSA-N 449.463 4.274 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)s1 1795037110 LSVGMSKEIUETNS-MUJYYYPQSA-N 447.944 4.194 5 20 IIBD CCCCC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(OC)cc1[N+](=O)[O-] 1800237242 CTGCXZRZBNVXNX-FFGOWVMKSA-N 445.560 4.001 5 20 IIBD CC(C)(C)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 1801206995 GPSKJFVODZNJAW-MUJYYYPQSA-N 429.542 4.498 5 20 IIBD CCCCC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1 1822001369 RCJBPMFLCLARKQ-ZBFHGGJFSA-N 431.493 4.433 5 20 IIBD O=C(c1ccsc1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830615758 CAESGHUENLPBFP-LJQANCHMSA-N 445.516 4.343 5 20 IIBD CC(C)=CCCC(=O)N1CCCC12CN(C(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 1845112991 JYXDNQYBIKVSGJ-UHFFFAOYSA-N 427.526 4.373 5 20 IIBD CC1(C)CCC(CC(=O)N2CC3(CCCN3C(=O)Cc3cc(F)ccc3[N+](=O)[O-])C2)CC1 1847047993 JXVMWSOXCJCCJC-UHFFFAOYSA-N 445.535 4.086 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc2c(Cl)cccc2s1 1847167384 KWWZTVQZBAKCTQ-KBPBESRZSA-N 445.884 4.185 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3nc4c(s3)C[C@H](C)CC4)cc2)c(C)c1[N+](=O)[O-] 11448345 DMVSWQBMPFVGPC-GFCCVEGCSA-N 425.514 4.290 5 20 IIBD CCCCn1c(SCc2ccc(C(N)=O)cc2[N+](=O)[O-])nc2sc(C)c(C)c2c1=O 16766786 VJWZCZWTFUBGQQ-UHFFFAOYSA-N 446.554 4.174 5 20 IIBD C[C@@H](Sc1ncc2ccccn12)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 26371173 XXMKVFPIDYYVOQ-GFCCVEGCSA-N 425.495 4.485 5 20 IIBD CCOc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2C)c([N+](=O)[O-])cc1OC 27008746 HLSPLHKZBGTASJ-GFCCVEGCSA-N 436.848 4.148 5 20 IIBD O=C(CN1CCc2sccc2[C@@H]1c1cccs1)N1CCc2cc([N+](=O)[O-])ccc21 27372072 XIKLHHICJUJURK-OAQYLSRUSA-N 425.535 4.255 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1csc(-c2ccco2)n1)c1ccccc1[N+](=O)[O-] 29565053 VKSRDHAWGJRLBB-CQSZACIVSA-N 429.454 4.124 5 20 IIBD COc1ccc(CN(C)C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC 45575129 HQKQREFVEJFIGI-UHFFFAOYSA-N 441.406 4.091 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CCC[C@@H]2CC2CCCCC2)cc1[N+](=O)[O-] 61570749 JJJFJBBNXDQKAB-QGZVFWFLSA-N 429.546 4.450 5 20 IIBD CCN(CC)C(=O)Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 64420093 BXIRWBPIHOGRLH-AWEZNQCLSA-N 433.892 4.065 5 20 IIBD CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc([N+](=O)[O-])ccc1Cl 68791303 ZEUCJXPOZAKRHH-UHFFFAOYSA-N 429.782 4.368 5 20 IIBD O=[N+]([O-])c1ccc(N2CCCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)c2ccncc12 71872257 PCSHQZLFBIVBPM-UHFFFAOYSA-N 444.451 4.316 5 20 IIBD Cc1ccc(NC(=O)C2CCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])CC2)nc1 301060925 DJWWXSSZDDFDJS-UHFFFAOYSA-N 444.491 4.384 5 20 IIBD CS(=O)(=O)c1ccc(Nc2cccc(C[S@@](=O)C3CCCCC3)c2)c([N+](=O)[O-])c1 301324911 YBSNFBCCZIJWLB-MUUNZHRXSA-N 436.555 4.323 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N[C@@H]1CCOC2(CCCCC2)C1 301708025 TUXQTYBQVIMTOI-QGZVFWFLSA-N 437.562 4.063 5 20 IIBD CN1CC[C@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 301860079 FIHQGQXYSQSSDC-VFNWGFHPSA-N 446.910 4.384 5 20 IIBD Cc1cc(N2CCN(C(=O)c3ccccc3OC(F)F)CC2)c2cccc([N+](=O)[O-])c2n1 302037962 VMRSHRYBSSSNLS-UHFFFAOYSA-N 442.422 4.015 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCc1ccccc1COCc1ccccc1 302974855 GWJVLULPSHGFEV-UHFFFAOYSA-N 446.912 4.444 5 20 IIBD CC1(c2ccccc2)CC(NC(=O)c2ccc([N+](=O)[O-])cc2I)C1 410083024 ORDFNFAESZNEGP-UHFFFAOYSA-N 436.249 4.050 5 20 IIBD O=C(Nc1ccc(-c2cncnc2)cn1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 410161105 WUDQPWHSUWEAMU-UHFFFAOYSA-N 426.436 4.311 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCc2c(ncn2-c2ccccc2)C1 426263200 KALBZSYFXNZIBN-UHFFFAOYSA-N 445.401 4.067 5 20 IIBD CCOC(=O)[C@@H](c1ccc(Cl)cc1Cl)N(C(=O)c1ccc([N+](=O)[O-])o1)C1CC1 427751774 ICIKNZBCESLZRK-MRXNPFEDSA-N 427.240 4.404 5 20 IIBD Cc1nc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)ccc1I 427910368 XFXAPIAIZMHVNU-SNVBAGLBSA-N 443.266 4.022 5 20 IIBD O=C(Nc1ccccn1)c1cccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 429795982 MQSRSDTVQYSNTL-UHFFFAOYSA-N 441.241 4.257 5 20 IIBD COCCCOc1cccc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c1 430667828 OOPPYBGQMWEJPZ-UHFFFAOYSA-N 438.484 4.124 5 20 IIBD O=C1N[C@H](CC2CC2)C(=O)N1Cc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 431244306 ARTBCIDDBFFEFS-MRXNPFEDSA-N 433.823 4.400 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc(O)c(Br)cc1Br 431444584 JLEUSZZVNIDKAU-UHFFFAOYSA-N 430.052 4.007 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)N3CCN(c4ccnc5c([N+](=O)[O-])cccc45)CC3)n2)cc1 432313148 JZFKCHFAYLVQMJ-QGZVFWFLSA-N 444.495 4.385 5 20 IIBD CC(C)c1cccc(C(C)C)c1NC(=O)Cn1cc(Br)cc([N+](=O)[O-])c1=O 432354129 TYLIAPJSNQLZBY-UHFFFAOYSA-N 436.306 4.405 5 20 IIBD CC1CCN(c2ccc(C(=O)NCc3nccn3CCc3ccccc3)cc2[N+](=O)[O-])CC1 434386330 VAEABHSQQIZILV-UHFFFAOYSA-N 447.539 4.200 5 20 IIBD COc1cccc(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)c1[N+](=O)[O-] 435520691 DNMGNPUKXOKEDF-UHFFFAOYSA-N 438.402 4.100 5 20 IIBD O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 436187900 IACOKPDKWZBPNA-UHFFFAOYSA-N 428.452 4.233 5 20 IIBD COc1cc(CCNC(=O)Nc2cc(Cl)c(Cl)cc2F)c([N+](=O)[O-])cc1OC 439958258 GPDOYWWRSIWCEC-UHFFFAOYSA-N 432.235 4.422 5 20 IIBD CCN(CC)C(=O)N1CCC(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1 440608560 IIRNNENADMTABJ-UHFFFAOYSA-N 438.528 4.302 5 20 IIBD COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 443865216 AZMSPWOWVYJULX-INIZCTEOSA-N 438.402 4.444 5 20 IIBD COc1ccc(CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c2nccs2)c(OC)c1 444482345 RBHVTEJXWHNEAP-UHFFFAOYSA-N 438.465 4.397 5 20 IIBD CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 444921393 BIPHEOVKLABUAH-UHFFFAOYSA-N 444.488 4.261 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(Cc1cccc(Br)c1)C(C)C 446895346 BEGHIAXTPZMWOB-UHFFFAOYSA-N 448.317 4.350 5 20 IIBD Cc1nc(C)c([C@@H](C)N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@H]2CCCO2)s1 461123788 FQHHQQCPQIKROA-RDTXWAMCSA-N 442.545 4.303 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCC(c2noc(C3CC3)n2)CC1 462900670 OLHQEZGLNJFQSE-UHFFFAOYSA-N 447.495 4.487 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)c1ccc(Cl)c2ccccc12 462955831 FRHRYFPVFVPLRF-GFCCVEGCSA-N 427.844 4.226 5 20 IIBD Cc1nc2n(n1)C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c1)CC2 466769279 ZSIRIYKRYDRUOL-OAHLLOKOSA-N 443.916 4.044 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3ccccc3)C[C@@H]2C)cc1OC 466883703 HTIIURRDPZTBOI-WMZOPIPTSA-N 428.485 4.037 5 20 IIBD O=C(C[C@H]1CCCCCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1cccs1 467066939 ZAAIELFJVOFWKM-CYBMUJFWSA-N 426.491 4.002 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)NCc1nc2c(s1)C[C@H](c1ccccc1)CC2 468095425 DKIRCNOUDYFAAV-GOSISDBHSA-N 436.537 4.366 5 20 IIBD C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 468674748 LOMBDDRTRFQKFB-CYBMUJFWSA-N 428.491 4.081 5 20 IIBD CC(C)Nc1ccc(F)cc1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 470095095 YNOLUDZIGDGQGL-UHFFFAOYSA-N 430.465 4.086 5 20 IIBD C[C@@H]1CCN(C)c2ccccc2N1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br 471235716 QGZADMXRQJZSHO-CYBMUJFWSA-N 433.306 4.031 5 20 IIBD Cc1ccc([C@H]2CCN(C(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)C2)c(C)c1 471325448 CNYAYIVANSUQMV-KRWDZBQOSA-N 437.525 4.121 5 20 IIBD COc1cc(C(=O)N[C@@H](c2ccc(C)cc2)c2ccccn2)c([N+](=O)[O-])cc1OC(F)F 471379597 KRXSDAFJZQOSIM-FQEVSTJZSA-N 443.406 4.428 5 20 IIBD CCc1cccc2c(C3CCN(C(=O)C(=O)Nc4cc(F)cc([N+](=O)[O-])c4)CC3)c[nH]c12 472575970 XWCOPIZNTZRMFC-UHFFFAOYSA-N 438.459 4.122 5 20 IIBD C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C1CC1 472706582 UEQGVPXDDCDGID-LLVKDONJSA-N 439.365 4.443 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]23)cc1[N+](=O)[O-] 472898244 OESXGNVDGCWKIC-NLWGTHIKSA-N 440.521 4.235 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 475635755 RHNICSHECSOBRF-QZTJIDSGSA-N 426.517 4.143 5 20 IIBD COc1cc(CNc2ccc(C)c(NC(=O)N(C)C)c2)c([N+](=O)[O-])cc1OCC(F)F 475697903 VCGATKHQIYWPDK-UHFFFAOYSA-N 438.431 4.261 5 20 IIBD CC(C)(CCN1CCCCCC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 476785777 KSMYJTPLWJKGJK-UHFFFAOYSA-N 426.355 4.061 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3csc(-c4ccccc4)n3)CC2)ccc1[N+](=O)[O-] 477371270 GVEXLFXRIXYATE-UHFFFAOYSA-N 438.509 4.079 5 20 IIBD O=C([C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1CCC(c2cccc(Cl)c2)CC1 478256746 RQDQFKVELGWNON-QGZVFWFLSA-N 447.944 4.321 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 481567383 GUEMJZTXUZUTPJ-UHFFFAOYSA-N 445.516 4.080 5 20 IIBD CCc1c(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cnn1C(CC)CC 482689467 FPLIHXKSDIZTIQ-MRXNPFEDSA-N 433.534 4.020 5 20 IIBD COC(=O)CCN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1nc2ccccc2o1 484267747 XWBPTIFCWQIXHI-UHFFFAOYSA-N 425.441 4.243 5 20 IIBD COC(=O)[C@@H](C)N(C)C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 484682476 UJNOVPDLXBIMMW-RGHBXIHOSA-N 439.493 4.155 5 20 IIBD O=C(Nc1cc(F)c(F)cc1N1CCCCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 484873538 VASBUPYVMUSRIV-UHFFFAOYSA-N 427.411 4.301 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1cccc(-c2nccs2)c1 485121829 NHLIQDNLIXLBKH-UHFFFAOYSA-N 440.300 4.282 5 20 IIBD Cn1cc(CN(Cc2ccc(Cl)cc2)c2ncc([N+](=O)[O-])cc2Br)cn1 485432079 BPGUYJIQNMYJBK-UHFFFAOYSA-N 436.697 4.346 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(NC(=O)c2cccnc2)c1 486712512 AAGMUXNQDMVAGC-UHFFFAOYSA-N 444.369 4.191 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)N2CCSCC2)ccc1C 487046282 WGZOTTNMPPPWRO-UHFFFAOYSA-N 445.566 4.457 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1[N+](=O)[O-] 488037765 GWQUYRRKYLUIJK-NVXWUHKLSA-N 428.464 4.164 5 20 IIBD C[C@H]1COC(C)(C)CN1C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 489479628 QVSVBYHTBGPYLX-KRWDZBQOSA-N 434.496 4.016 5 20 IIBD O=C(c1ccn(-c2ccc(Br)cc2)n1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 494168339 KVPLFVFEPOYXAU-UHFFFAOYSA-N 441.285 4.348 5 20 IIBD Cc1cn(-c2ccccc2Cl)nc1C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 499133689 IPOXGJNZEPWSPN-UHFFFAOYSA-N 428.832 4.156 5 20 IIBD C[C@H]1CCC[C@H](OCc2cccc(NC(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)c2)C1 499192322 QJIRGEIVCPLYCE-KXBFYZLASA-N 439.468 4.237 5 20 IIBD Cc1ccccc1-c1ccc(CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C(C)C)s1 499633036 QXBIYUFHXCQWOA-UHFFFAOYSA-N 425.510 4.231 5 20 IIBD COc1ccc(CN2CCOC[C@H]2c2c(C)nn(Cc3ccccc3)c2C)cc1[N+](=O)[O-] 501692084 BWNMRYCEOZNJES-QFIPXVFZSA-N 436.512 4.039 5 20 IIBD CC[C@H](CSc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 504777941 HCNHSVSTIHITBR-NQIIRXRSSA-N 441.553 4.195 5 20 IIBD O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 505793820 XKICHFKSKWVZBJ-KRWDZBQOSA-N 438.267 4.241 5 20 IIBD O=C(COc1c([N+](=O)[O-])cnc2ccc(Br)cc12)N1CCCc2ccccc21 508167533 YCHUUVYGRIYCKY-UHFFFAOYSA-N 442.269 4.264 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(Oc3ccncc3)cc2)cc1[N+](=O)[O-] 509023038 OWDAAGPJINVJMO-UHFFFAOYSA-N 448.464 4.314 5 20 IIBD NC(=O)c1ccc(SCC(=O)N2CCC[C@@H]2c2cccc3ccccc23)c([N+](=O)[O-])c1 510122825 CKDQOWVTSCZWIA-LJQANCHMSA-N 435.505 4.303 5 20 IIBD C[C@H]1C[C@H](CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CN1Cc1ccccc1 510128113 JZHHMRLWJFJURZ-RDJZCZTQSA-N 446.345 4.388 5 20 IIBD Cc1ccccc1[C@H]([C@H](C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)N(C)C 510527927 ZDOIBCRABGYYBL-SIBVEZHUSA-N 427.548 4.271 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1CC[C@@H](COC(F)F)C1 512822194 FPJUKPWTYXAENQ-ACJLOTCBSA-N 439.846 4.489 5 20 IIBD CC(C)[C@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 513663736 MAWPRKHDWDFHAC-KRWDZBQOSA-N 445.541 4.294 5 20 IIBD O=C1C[C@H](C(F)(F)F)N(C(=O)CSCc2ccc([N+](=O)[O-])cc2)c2ccccc2N1 513817084 AJIIYBBAZIXLPE-MRXNPFEDSA-N 439.415 4.134 5 20 IIBD O=C(N[C@H](CCc1ccccc1)c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 515901148 VHTSJWGCFBORAY-HSZRJFAPSA-N 445.523 4.196 5 20 IIBD COc1ccc(C(C)(C)CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC 517307297 LDRRLURLIDRFAJ-UHFFFAOYSA-N 441.509 4.443 5 20 IIBD Cc1nc(COc2ccc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cc2)no1 517459227 OUWRAEVSCYHSAW-UHFFFAOYSA-N 440.459 4.064 5 20 IIBD CCOC(=O)c1cc(C(=O)N[C@H](c2ccccc2)c2ccccc2OC)cc([N+](=O)[O-])c1 520822884 PQBJWMHZEKLBNN-JOCHJYFZSA-N 434.448 4.300 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(c2nc3ccccc3s2)CC1 520898719 VHNIPUNLTVUTEN-UHFFFAOYSA-N 431.539 4.335 5 20 IIBD CCOC(=O)c1csc(N(C(=O)c2ccccc2[N+](=O)[O-])c2ccc(OC)cc2)n1 524834876 IDUKWRRKVCYRHF-UHFFFAOYSA-N 427.438 4.215 5 20 IIBD CC(C)(C)[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1nc(-c2nc[nH]n2)no1 533391971 VYZLJGMBNJYQAF-MRXNPFEDSA-N 439.501 4.368 5 20 IIBD COc1cc(-c2noc(COc3ccc([N+](=O)[O-])cc3C(C)=O)n2)ccc1OC(F)F 533915431 SBLBBUZKBLFMPZ-UHFFFAOYSA-N 435.339 4.036 5 20 IIBD CC[C@H](Nc1ncc([N+](=O)[O-])cc1Br)[C@H](c1ccc(C)cc1)n1cncn1 534419624 XMAJFPBXTCGNLS-IRXDYDNUSA-N 431.294 4.132 5 20 IIBD COc1ccccc1[C@@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccccn1 535541277 CJCACVBTJRAODU-HSZRJFAPSA-N 434.496 4.410 5 20 IIBD Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c2cccnc2c1C 535618058 VBICZGXRSIZJIJ-UHFFFAOYSA-N 436.287 4.323 5 20 IIBD COc1cc(CNc2nnc([C@@H]3CCCO3)o2)ccc1OCc1ccc([N+](=O)[O-])cc1 537489034 CDXREDGOQYMWPU-SFHVURJKSA-N 426.429 4.029 5 20 IIBD COc1cc(C(=O)N2CCCCc3cc(Br)ccc32)cc([N+](=O)[O-])c1OC 540004346 AEONLDPBVZJYKV-UHFFFAOYSA-N 435.274 4.358 5 20 IIBD COc1ccc(C(=O)C2CCN(c3ncc([N+](=O)[O-])c(C)c3Br)CC2)cc1 542521209 GEHDFMJOYFZDJF-UHFFFAOYSA-N 434.290 4.169 5 20 IIBD COc1ccc(C2(C(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)CCC2)cc1OC 543440167 UPVFSAJNJIQTKU-UHFFFAOYSA-N 440.496 4.104 5 20 IIBD CN(Cc1nc(Cc2ccc(OCc3ccncc3)cc2)no1)c1ccccc1[N+](=O)[O-] 546326863 MRULMHHSWHYHSM-UHFFFAOYSA-N 431.452 4.179 5 20 IIBD COc1ccc(Cc2noc(CCCNc3ccc([N+](=O)[O-])cc3)n2)c(Cl)c1OC 546360511 DTRXLDQTUMYPOB-UHFFFAOYSA-N 432.864 4.284 5 20 IIBD CCC1(c2nc(Cc3cccc([N+](=O)[O-])c3C)no2)CCN(C(=O)c2ccccc2)CC1 546494330 HJIIZPYURVFQTI-UHFFFAOYSA-N 434.496 4.461 5 20 IIBD CCCc1c(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cnn1-c1cc(C)ccn1 546906944 RGPQZVFAQYMMMG-UHFFFAOYSA-N 443.891 4.497 5 20 IIBD COc1cc(OC)cc(C2(F)CCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)CC2)c1 549535114 UICUXIRZGWLHHU-UHFFFAOYSA-N 427.432 4.194 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1nc(Cc2ccccc2)no1 550675274 GDRMLJXUEMYEMO-GFCCVEGCSA-N 445.273 4.131 5 20 IIBD O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 555995122 APOSJVKDTOWUOB-UHFFFAOYSA-N 431.374 4.461 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCN([C@H](C)c2ccsc2)CC1 556455747 DQBFJTGHYXCVDT-CYBMUJFWSA-N 438.347 4.246 5 20 IIBD CC(C)(NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1)c1ccccc1[N+](=O)[O-] 557979309 SKSUFURHXXIYIZ-HNNXBMFYSA-N 428.464 4.029 5 20 IIBD CCN(C)C(=O)c1cccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1 558049578 QYJNPWBMFVRSIB-CALCHBBNSA-N 438.528 4.421 5 20 IIBD O=[N+]([O-])c1cccc(N2CCN(c3nnc(C4CCCC4)n3Cc3cccs3)CC2)c1 559167190 IPRQRUVODNFBNL-UHFFFAOYSA-N 438.557 4.280 5 20 IIBD CCCOc1cc(NC(=O)N2CCOc3cc(O)ccc3C2)c([N+](=O)[O-])cc1OCCC 562042982 NURSIYGUZZRSBB-UHFFFAOYSA-N 445.472 4.305 5 20 IIBD Cc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)cc1[N+](=O)[O-] 562337521 LYUHXAWYTDGUKC-KRWDZBQOSA-N 441.509 4.225 5 20 IIBD Cc1nn(CCc2nc(C(C)(C)c3ccccc3Br)no2)c(C)c1[N+](=O)[O-] 563658006 RFFLBZBEIHEOLR-UHFFFAOYSA-N 434.294 4.122 5 20 IIBD COc1cc(CCNC(=O)N2CCC(c3cccc(F)c3F)CC2)c([N+](=O)[O-])cc1OC 580686459 GGAFKAHKEGFYHW-UHFFFAOYSA-N 449.454 4.022 5 20 IIBD C[C@H](CN[C@H](c1cccc([N+](=O)[O-])c1)c1nccn1C)Oc1cccc(Br)c1 581959613 JBRLXMVQKWRZCY-AUUYWEPGSA-N 445.317 4.237 5 20 IIBD CN([C@H]1CC[C@@H](C(F)(F)F)CC1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 588906695 FEWYHVBZPJFFSA-JGZJWPJOSA-N 445.257 4.099 5 20 IIBD O=C(CCCc1ccc(Br)s1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 603692707 HLIKZXDYNKCUEG-UHFFFAOYSA-N 438.347 4.090 5 20 IIBD CCOc1ccc([C@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccccc2)cc1 603721228 OCTAPBCCIBQXHY-JOCHJYFZSA-N 433.464 4.146 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 603981241 WOLVTCTZEDGOFU-UHFFFAOYSA-N 436.383 4.121 5 20 IIBD CSc1nc(C)c(CCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)c(O)n1 603997258 IARMRIZYITXGNZ-UHFFFAOYSA-N 445.526 4.124 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1C 609198586 YTHCQCQXGZGULB-UHFFFAOYSA-N 426.494 4.303 5 20 IIBD COCc1cc(CNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])ccc1F 609354323 URVDXRFBQMWIHZ-UHFFFAOYSA-N 445.472 4.293 5 20 IIBD O=C(Nc1ccccc1F)[C@H]1CSCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 609453868 MWYVMTZNDQAQMI-OAHLLOKOSA-N 431.470 4.102 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)ccc1[N+](=O)[O-] 609657685 KMTCPBNIKAOFTA-UHFFFAOYSA-N 443.456 4.024 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1 609657982 AZLGQSPTARJUKA-GDLZYMKVSA-N 444.534 4.266 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)N1CCSCC1 609815929 FSERVDNQHGJWRP-UHFFFAOYSA-N 425.869 4.438 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)CCc1ccnc2ccccc12)c1ccccc1[N+](=O)[O-] 609906347 HMUNKANACXKUAC-OAQYLSRUSA-N 435.480 4.275 5 20 IIBD Cc1ccnc(Oc2cc(NC(=O)N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)ccc2C)c1 610330663 LOUMWMPTQQYPFC-UHFFFAOYSA-N 448.483 4.148 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1 619638766 HPGQMXCPUKQGTB-UHFFFAOYSA-N 448.479 4.137 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1(c2cccc(C(F)(F)F)c2)CC1 727555918 MVODQRRXEYDLII-UHFFFAOYSA-N 433.342 4.439 5 20 IIBD CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 728261362 RZWSNFQLPRYWJN-UHFFFAOYSA-N 435.864 4.404 5 20 IIBD Cc1cc(S(=O)(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)ccc1F 729853243 KMISXWVGQSGBNZ-UHFFFAOYSA-N 430.413 4.062 5 20 IIBD Cc1cc(Cl)ccc1Cc1cnc(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])s1 731614726 UBDWVHAOZLVYKD-UHFFFAOYSA-N 445.884 4.434 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@H](O)c1ccc(Cl)cc1Cl 732298268 PEUPXFDKJFMKIQ-NRFANRHFSA-N 441.314 4.311 5 20 IIBD COc1ccc(S(=O)(=O)NC(=O)c2cc(-c3ccccc3)ccc2Cl)c([N+](=O)[O-])c1 732495051 IDIWJFFZOBQZRD-UHFFFAOYSA-N 446.868 4.043 5 20 IIBD C[C@H](Sc1ncccc1C(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCCC1 735901221 PPWSNTPFEAJSGK-ZDUSSCGKSA-N 449.916 4.103 5 20 IIBD O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1cccc(Oc2nccs2)c1 737328522 CMZXAAHHNAKBQH-UHFFFAOYSA-N 440.481 4.312 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc(Oc2ccccc2)ccc1O 738870641 WCGWCSVDKDBNBL-UHFFFAOYSA-N 433.376 4.500 5 20 IIBD CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1Br 739568455 WCTYRTIYVMGHJQ-LBPRGKRZSA-N 444.326 4.027 5 20 IIBD CC1(C)[C@H](NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H]2CCO[C@H]21 741233131 JZKXYTFXBWJCAR-KFKAGJAMSA-N 443.887 4.044 5 20 IIBD C[C@H](OC(=O)c1cnc2ccccc2c1C(F)(F)F)C(=O)Nc1ccccc1[N+](=O)[O-] 744572062 CUPJOUIIAUIAIL-NSHDSACASA-N 433.342 4.346 5 20 IIBD C[C@@H](OC(=O)c1cn(C)nc1C1CCCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 744929497 NZKPCQCEECTREE-GFCCVEGCSA-N 434.880 4.213 5 20 IIBD C[C@H](OC(=O)[C@H](C)CC(=O)c1cccc(F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 745395240 JOGPPDKRFYAJAA-NEPJUHHUSA-N 436.823 4.167 5 20 IIBD CCNC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 750826216 NOWMOEDMDFGGMU-UHFFFAOYSA-N 426.654 4.013 5 20 IIBD Cc1c(C(=O)N[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 752439324 PKMFAVYJWXFAIN-NSHDSACASA-N 445.819 4.314 5 20 IIBD O=C(N[C@@H]1COc2ccccc2[C@@H]1O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 752904667 GIXBZKDPSQWURZ-UTKZUKDTSA-N 440.839 4.265 5 20 IIBD C[C@H](C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccc([N+](=O)[O-])cc1F 754236497 JHHHXTHLHGKFFB-ZDUSSCGKSA-N 433.395 4.277 5 20 IIBD O=C(CCc1nnc(-c2cc3ccccc3o2)o1)NCc1cc([N+](=O)[O-])ccc1Cl 756991692 SIOHZMQKTPMNRZ-UHFFFAOYSA-N 426.816 4.293 5 20 IIBD Cc1cc(F)cc(C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)c1[N+](=O)[O-] 758508913 URVCEQVXPLQHGU-UHFFFAOYSA-N 447.264 4.496 5 20 IIBD Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 759806575 VSPQEPMSUPTQSC-AWEZNQCLSA-N 444.916 4.074 5 20 IIBD CC(=O)c1ccc(Oc2ccc(C(=O)OCC(=O)N(C)c3ccc([N+](=O)[O-])cc3)cc2)cc1 760576969 LCFDIOKMDKTKFC-UHFFFAOYSA-N 448.431 4.410 5 20 IIBD CC(=O)N(c1nc(COC(=O)c2ccc([N+](=O)[O-])n2C)cs1)c1cccc(C)c1C 761059930 CVHKUNQPLYEJCJ-UHFFFAOYSA-N 428.470 4.048 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)O[C@@H]1CCCN(c2ccccc2F)C1=O 763643108 JFCRWZSZDPQPMW-HSZRJFAPSA-N 444.462 4.033 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(=O)Nc1cccc(Br)c1 763720495 VVGFORHOMKSKMA-VIFPVBQESA-N 427.638 4.195 5 20 IIBD CCOc1cc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c([N+](=O)[O-])cc1OCC 763911672 YANOXVJYMBBMCI-UHFFFAOYSA-N 444.444 4.497 5 20 IIBD CCc1cc(=NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])c2cc([N+](=O)[O-])ccc2[nH]1 765100921 UWDZJHCXYSZSFJ-UHFFFAOYSA-N 442.453 4.018 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)c1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 766802724 AOZOARWOLJJQAW-MRXNPFEDSA-N 439.493 4.446 5 20 IIBD O=C(NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 767136327 UCPSXYFDEMOWJY-AWEZNQCLSA-N 438.465 4.162 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCC(=Cc2ccc(F)c(F)c2)CC1 769023375 AHWDRXBHBYBHTA-UHFFFAOYSA-N 431.395 4.420 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 769626901 YISBMDJQQNNDQZ-UHFFFAOYSA-N 426.354 4.485 5 20 IIBD CSc1ccc(C(=O)COC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)cc1NC(C)=O 769886083 CSLSCIJKPSONSW-UHFFFAOYSA-N 430.482 4.240 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2cnccc2Cl)c2ccccc2)c([N+](=O)[O-])c1 771067948 RTTXUBBYROBXPL-LJQANCHMSA-N 425.828 4.488 5 20 IIBD O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)c([N+](=O)[O-])c1N[C@@H]1CCC[C@H]2OCC[C@H]12 771170041 IOQIVXKROOTXEB-BOMIMWLXSA-N 446.504 4.242 5 20 IIBD COc1cc(/C=C(/C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)c2ccccc2)ccc1O 772316688 AJOQKKKILCFZDQ-XDHOZWIPSA-N 434.448 4.175 5 20 IIBD O=C(O[C@@H]1CCO[C@]2(CCOC2)C1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 774979494 UDAOJVTWMFCUMD-VGOFRKELSA-N 446.887 4.355 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1cc(F)ccc1N1CCC(O)CC1 775357825 OQPQZZSYIVAMNH-MRXNPFEDSA-N 431.508 4.333 5 20 IIBD C[C@@H](OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)N[C@H](C)c1ccc(F)cc1 781261416 ULMMNDNUNZSOQL-HUUCEWRRSA-N 432.451 4.243 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1nnc(Cc2cccc(Cl)c2)s1 781685935 FYUJCBBVNLXOOD-UHFFFAOYSA-N 447.860 4.170 5 20 IIBD Cc1ccc([C@H](C)N[C@@H]2CCOC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 783638627 VQQSUXWDLJWQDH-MTFMMBMASA-N 433.549 4.358 5 20 IIBD COC(=O)CCc1cccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 786265369 ZRTIYHRVFIPYAI-UHFFFAOYSA-N 425.485 4.189 5 20 IIBD O=c1cc(-c2ccc([N+](=O)[O-])cc2)c2ccc(OCc3nnc4n3CCCCC4)cc2o1 788503312 CXPRMZNXKCPQGE-UHFFFAOYSA-N 432.436 4.265 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790562853 XGBNARNBLURDNQ-MLGOLLRUSA-N 443.903 4.130 5 20 IIBD CC(C)N(CCCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(=O)OC(C)(C)C 790641897 LTOFDPLRNFZEIP-UHFFFAOYSA-N 431.892 4.082 5 20 IIBD COc1ccccc1[C@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 790845620 GHFASATYWBAAKX-MRXNPFEDSA-N 449.485 4.044 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 791228586 HFLFZWBVHUOZMX-TWGQIWQCSA-N 436.386 4.017 5 20 IIBD Cc1noc(C)c1CSc1ncccc1C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 791619553 ZYZFGPAXSZRTNS-UHFFFAOYSA-N 444.425 4.152 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2 792377263 SWLMMAFJTRJMAC-UHFFFAOYSA-N 448.520 4.248 5 20 IIBD CNC(=O)Oc1cccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c1 795013461 ZZZCDNKMEMTFJS-GJZGRUSLSA-N 426.473 4.048 5 20 IIBD Cc1c(CC(=O)OC[C@H]2CCC(=O)N(C)[C@H]2c2cccc(Cl)c2)cccc1[N+](=O)[O-] 797059376 WHARJKSDQUXHHT-VGSWGCGISA-N 430.888 4.252 5 20 IIBD O=C(OCc1cncn1CC(F)(F)F)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 797121908 OGEALNDFLBTXDQ-UHFFFAOYSA-N 434.374 4.323 5 20 IIBD CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])cccc21 809279870 SUYLSGRODBRQHP-UHFFFAOYSA-N 447.438 4.491 5 20 IIBD O=[N+]([O-])c1cc(F)c(S(=O)(=O)N(Cc2cccnc2)c2ccc(F)cc2)cc1Cl 809809519 PQEFLEXCCJAJKS-UHFFFAOYSA-N 439.827 4.317 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Oc1c(Cl)cc(Cl)c2cccnc12 809854812 OJAMCTHHZJENPP-UHFFFAOYSA-N 429.237 4.226 5 20 IIBD O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCC(O)(Cc2ccc(F)cc2)CC1 813523889 HOMBESYLEDNXSQ-UHFFFAOYSA-N 427.259 4.251 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC12CCC2 813800599 VEXLEFUJKVBOAA-QGZVFWFLSA-N 446.548 4.451 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(Cc2ccnc(Br)c2)CC1 815015852 NZTCJEWEHFPIGM-UHFFFAOYSA-N 445.239 4.093 5 20 IIBD C[C@@H](Cc1cnc2ccccc2n1)C(=O)O[C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 816038106 JWBOUWNTNDSEOW-YJBOKZPZSA-N 438.459 4.068 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccc(N2CCCOC2=O)cc1 817315011 YIXAGDMWTIZAFG-INIZCTEOSA-N 438.484 4.033 5 20 IIBD O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 844240186 ZZHGOQFITHDDTP-UHFFFAOYSA-N 442.859 4.258 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccc2ccccc2c1 846274404 ROIUWFZVULWERO-QGZVFWFLSA-N 447.491 4.382 5 20 IIBD CCCN(C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)[C@H]1CCc2ccccc21 914511768 BAWDSPQJUKGWMK-JXFKEZNVSA-N 425.460 4.013 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(OC3CCCC3)cc2)c([N+](=O)[O-])c1 914951563 HKQNNXHAFRRMFW-AWEZNQCLSA-N 428.441 4.109 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 916071385 XLTICZZTICKLSY-UHFFFAOYSA-N 448.435 4.258 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@H](c1ccc(Br)cc1)C1CCC1 917833676 LOVQDMLATPMCOD-FQEVSTJZSA-N 443.301 4.365 5 20 IIBD O=C(COC(=O)c1ccc(Oc2ccccc2)nc1)Nc1ccc(Cl)cc1[N+](=O)[O-] 919385974 CTPUJOBIBNLAGF-UHFFFAOYSA-N 427.800 4.231 5 20 IIBD CCOc1ccc2cc(C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)[nH]c2c1 919468772 OFVQFVYLZJAQNH-LLVKDONJSA-N 431.832 4.312 5 20 IIBD COc1ccc2[nH]cc(C3CCN(C(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4C)CC3)c2c1 919834481 BIEYWQXOMIXHCH-UHFFFAOYSA-N 438.440 4.321 5 20 IIBD CN(C1CCCCC1)S(=O)(=O)c1cccc(-c2nnc(-c3cccc([N+](=O)[O-])c3)o2)c1 1257629410 IRBXQDLUPIDKHG-UHFFFAOYSA-N 442.497 4.265 5 20 IIBD COc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c2ccc(OC)cc2OC)cc1 1318670658 LJFRKZLKEMUFNX-QHCPKHFHSA-N 436.464 4.448 5 20 IIBD C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 1319815382 HPRQROCVVRZVTD-ZDUSSCGKSA-N 449.916 4.349 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(SC(F)(F)F)cc2)cc1OC 1323152230 WNOSJDKJPPTCIJ-UHFFFAOYSA-N 446.403 4.493 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCC(Nc3ccccc3Cl)CC2)c(C)c([N+](=O)[O-])c1 1326297101 ZUKOEIPQCBBGTO-UHFFFAOYSA-N 446.891 4.452 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(F)c4[N+](=O)[O-])CCC3)cc2)on1 1787402364 KRJXPYAVFOWRCY-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD CCCCC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)CCC1 1789691437 GCJIUCLITKUTRP-HNNXBMFYSA-N 427.505 4.282 5 20 IIBD COc1ccsc1C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1 1789928614 YXKCHYMRWNTBCP-UHFFFAOYSA-N 441.465 4.319 5 20 IIBD C[C@H](Cc1ccccc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C2 1802647692 VGYLPMNPLZOLSY-YRRCWQSASA-N 447.535 4.125 5 20 IIBD C[C@]1(C(=O)N2CCC3(CCCN(C(=O)/C=C/c4ccc([N+](=O)[O-])o4)C3)CC2)CC=CCC1 1805685307 JJRLLXWJDNRZFX-DRGXBFSJSA-N 441.528 4.179 5 20 IIBD Cc1ccccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1823679612 MSXBJNFZCAUCQJ-XMMPIXPASA-N 449.551 4.379 5 20 IIBD C[C@@H]1C[C@]1(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830224026 OMHSULWYPGGTQM-OFSQETHSSA-N 431.508 4.013 5 20 IIBD Cc1ccsc1C(=O)N1CCCC12CN(C(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 1842375425 SEDWKWKIEWZWKM-UHFFFAOYSA-N 441.534 4.310 5 20 IIBD O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl 3504722 UMOMFWWCNZCERW-UHFFFAOYSA-N 438.823 4.275 5 20 IIBD C[C@@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)Nc1cc(F)ccc1F 10723328 JEMQKQDSEIDVOU-CQSZACIVSA-N 436.414 4.003 5 20 IIBD CN(CC(=O)Nc1cc2c(cc1Cl)OCCCO2)Cc1cc([N+](=O)[O-])ccc1Cl 11013399 JCZXRHQXLVKUDC-UHFFFAOYSA-N 440.283 4.133 5 20 IIBD COC(=O)C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Br)cc1 14395132 KTOOVIDSBUCERZ-AWEZNQCLSA-N 441.665 4.045 5 20 IIBD Cc1ccc(NC(=O)c2nn(-c3cccc(C(F)(F)F)c3)c(C)cc2=O)cc1[N+](=O)[O-] 14878133 DJKNDBYSJCBZDH-UHFFFAOYSA-N 432.358 4.029 5 20 IIBD CCn1c(SCc2cc(=O)n3ccc(C)cc3n2)nc2cc3ccccc3cc2c1=O 24891235 VNMXGQNJSBAXBN-UHFFFAOYSA-N 428.517 4.178 5 20 IIBD CCOc1ccc(C(=O)O[C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-] 25387734 BFFKLZRUONPPJX-UONOGXRCSA-N 426.425 4.162 5 20 IIBD COCCN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1nc2ccccc2s1 26973768 ZDOFTGPWCPLXJT-UHFFFAOYSA-N 443.528 4.444 5 20 IIBD Cc1oc(-c2ccccc2)nc1C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 28689535 RNPAFZUKJPTEGD-UHFFFAOYSA-N 434.374 4.419 5 20 IIBD O=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 31701802 RJATYWWERHMLSQ-UHFFFAOYSA-N 442.431 4.278 5 20 IIBD CCCCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccc(OC)cc1 36799947 YQXZICAJLZYMAD-UHFFFAOYSA-N 441.513 4.393 5 20 IIBD CCC(=O)Nc1ccc(NC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cc1 57698094 CZXLDKRVJWOROT-SFHVURJKSA-N 442.472 4.148 5 20 IIBD O=[N+]([O-])c1ccc2[nH]c(CSc3nc(-c4ccc(Br)cc4)n[nH]3)nc2c1 59778162 FCYWFODHCRHLSG-UHFFFAOYSA-N 431.275 4.311 5 20 IIBD CCO[C@@H]1CCCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 62304870 YMHFTCRXJRLTAE-OAHLLOKOSA-N 431.876 4.142 5 20 IIBD CC(C)Cn1nc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c2ccccc2c1=O 104673583 VSGZJISGPDDOOG-UHFFFAOYSA-N 449.492 4.337 5 20 IIBD O=C(NCc1nc(C2CC2)no1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 108342814 LJVFNMATBNOYLQ-UHFFFAOYSA-N 427.848 4.051 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc2c(cc1Sc1ccccc1)OCCO2 116563941 DMAMROFRHLPXRL-UHFFFAOYSA-N 440.481 4.051 5 20 IIBD COc1ccc([C@@H](C)Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])cc1Br 301078732 IPSSRDVIYXIAML-LLVKDONJSA-N 434.290 4.431 5 20 IIBD Cc1nc(N[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] 301651932 KAYLFVFNHYSDHF-FQEVSTJZSA-N 433.436 4.181 5 20 IIBD CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 303153975 ODQFZWRTRLBQNA-MRXNPFEDSA-N 429.496 4.067 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(Br)cc(Br)c1 389244040 FANNVKNJCQZOFA-UHFFFAOYSA-N 428.080 4.392 5 20 IIBD CCOC(=O)c1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c(O)c1 426989690 JKADEVVTXVNGLS-UHFFFAOYSA-N 436.420 4.308 5 20 IIBD O=c1c(C(F)(F)F)nc2ccc(C(F)(F)F)cc2n1CCOc1ccccc1[N+](=O)[O-] 427265467 NQQUJIXZFZHQJK-UHFFFAOYSA-N 447.291 4.421 5 20 IIBD COCCN(C(=O)COc1cc(C)ccc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 428351162 WMSUJEGYQDWFFG-UHFFFAOYSA-N 445.472 4.224 5 20 IIBD Cc1cc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)n(C2CCN(C)CC2)n1 430439181 OIQHFVFAOPZLFL-UHFFFAOYSA-N 434.500 4.362 5 20 IIBD CC[C@@H](CNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])Oc1cccc(C(F)(F)F)c1 430461255 YEYOFWGKGCOHTI-ZDUSSCGKSA-N 442.390 4.218 5 20 IIBD C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)c2ccccc2N(Cc2ccccc2)C1=O 430836474 FIKKJTCQAGZWTB-GOSISDBHSA-N 429.476 4.353 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1ccccc1Br)c1sc(Br)cc1[N+](=O)[O-] 431149369 BKKKOGLKDMLDGP-WCBMZHEXSA-N 446.120 4.467 5 20 IIBD O=C(O)CSCc1cccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1 431652905 HFKJXGSCGZTPJK-UHFFFAOYSA-N 436.464 4.391 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3ccc(COC(C)C)cc3)CC2)ccc1[N+](=O)[O-] 431957300 FRJYUBDUYMVDEP-UHFFFAOYSA-N 442.516 4.273 5 20 IIBD O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(c3nnc(C4CC4)s3)CC2)s1 432120696 BJOYEWNPAWXATK-UHFFFAOYSA-N 427.555 4.374 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CC2(CCC2)[C@@H]1c1ccccc1 432281631 FZHRLBQKGKTNPN-KRWDZBQOSA-N 437.315 4.273 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2CCSC(C)(C)CC2)c([N+](=O)[O-])c1 432931951 FXIGRKFLKHWRBM-UHFFFAOYSA-N 428.510 4.334 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCCN(Cc2ccc(F)cc2)CC1 437169697 DYLUNGGMTJIXSS-UHFFFAOYSA-N 425.382 4.101 5 20 IIBD Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Br 439371183 LKHHDCKJQBAFJF-UHFFFAOYSA-N 432.274 4.058 5 20 IIBD O=C(NCCCOCC1CCOCC1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 440624774 NKCHLCCILDWSNG-UHFFFAOYSA-N 430.526 4.309 5 20 IIBD O=C(c1cn(-c2cccc(Cl)c2)nn1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 444007999 IODSOCBIVKRHDP-UHFFFAOYSA-N 439.781 4.034 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CC[C@H](n2ncc3ccccc32)C1 444287703 CINHVNFINGGKMS-INIZCTEOSA-N 426.451 4.257 5 20 IIBD O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 444296794 HJVNLTNPSTUFCR-OAQYLSRUSA-N 449.869 4.009 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(Cc3ccc(OCc4ccccn4)cc3)n2)c1 445584001 OQCZNFSBFHQSKU-UHFFFAOYSA-N 432.436 4.142 5 20 IIBD COc1ccc(-c2cncc(-c3nc(Cc4cc(OC)cc(OC)c4[N+](=O)[O-])no3)c2)cc1 445823701 IIMKEPQZNZRJDL-UHFFFAOYSA-N 448.435 4.323 5 20 IIBD CN(C)C(=O)c1ccc(Cl)c(NC(=O)c2sc(Br)cc2[N+](=O)[O-])c1 446109547 SJCYQEYDYKDQFB-UHFFFAOYSA-N 432.683 4.026 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N3CCCC[C@@H]3C[C@@H](C)O)c([N+](=O)[O-])c2)c(C)c1 447812007 PVIWIDRYBAERFW-QZTJIDSGSA-N 447.557 4.142 5 20 IIBD O=C(c1cc(OCC(F)(F)F)c2ccccc2n1)N1CCOc2ccc([N+](=O)[O-])cc2C1 461383681 FVZVPHKVGVZXCO-UHFFFAOYSA-N 447.369 4.119 5 20 IIBD CC(C)Nc1cc(F)ccc1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 461459585 CCIHXPODSRDXBI-UHFFFAOYSA-N 430.465 4.086 5 20 IIBD CS[C@@H]1CCCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCCO2)C1 461833722 PEYAZDQHIYLLRF-RBUKOAKNSA-N 431.562 4.144 5 20 IIBD COCC(C)(C)NC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 465187300 UKYKEMLCTIXPJA-UHFFFAOYSA-N 425.844 4.404 5 20 IIBD CC[C@@H]1Oc2cc([C@H](C)NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)ccc2NC1=O 465355134 DRXYXPCHDLWOFS-ZBEGNZNMSA-N 425.466 4.410 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1c(F)cccc1Oc1ccccc1 467877365 QUXSGWKMWOMSRP-UHFFFAOYSA-N 443.818 4.435 5 20 IIBD CC(C)(C)c1noc(COc2ccc(Oc3ccc([N+](=O)[O-])cc3S(C)(=O)=O)cc2)n1 468730333 VICILBJTYUDCIN-UHFFFAOYSA-N 447.469 4.050 5 20 IIBD COc1ccc2c(c1)CN(C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H](c1ccccc1)C2 472718721 XDBBNMFJSCPHJD-JOCHJYFZSA-N 449.438 4.007 5 20 IIBD Cc1nc(-c2ccccc2NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cs1 477676429 CGZORHRQKXPHTM-UHFFFAOYSA-N 438.465 4.354 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1CCc2nnc(O)cc2C1 479460354 ZJRRQODVDUWSGP-UHFFFAOYSA-N 442.884 4.094 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 481929704 GHYURPORYPFTOY-UHFFFAOYSA-N 438.509 4.139 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)Cc2ccc(Br)cc2)cc1OC 482363784 HBLKIVDQLRNMFC-LBPRGKRZSA-N 437.290 4.126 5 20 IIBD O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 482586687 ZKGVSIJIBXRQSI-LLVKDONJSA-N 447.278 4.164 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccccc1N1CCCCC1 482908788 CJCRQPNUNZHLGV-UHFFFAOYSA-N 425.532 4.461 5 20 IIBD C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1sc(Br)cc1[N+](=O)[O-] 486186389 BBIQNYZSPGJHTG-TZMCWYRMSA-N 438.347 4.059 5 20 IIBD CSc1cccc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3)c2)c1[N+](=O)[O-] 486932315 GWJOGEARXIBVMX-UHFFFAOYSA-N 443.506 4.370 5 20 IIBD CCN(C(=O)Cc1ccc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cc1)c1ccccc1 487726140 KJSMLMMXORJEPS-UHFFFAOYSA-N 447.447 4.171 5 20 IIBD Cn1nc(-c2cccc(C(F)(F)F)c2)cc1NC(=O)CCOc1ccccc1[N+](=O)[O-] 489977354 ADTSGGUAXJFEBR-UHFFFAOYSA-N 434.374 4.422 5 20 IIBD CC(C)(C)c1ccc(C(=O)NCCC(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cc1 499034180 OVJLXGMZRQJCAH-UHFFFAOYSA-N 435.484 4.041 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)c1 501283919 PGGZGGYPUJZFLL-CYBMUJFWSA-N 427.251 4.082 5 20 IIBD CCOc1ccc([C@H](C)NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1OC 501819146 QVVQOQLTWIRSOX-NSHDSACASA-N 440.399 4.103 5 20 IIBD Cc1cc(C)c(NC(=O)CN=c2c([N+](=O)[O-])c[nH]c3ccc(Br)cc23)c(C)c1 502083838 AVEGUFSRSKUZNT-UHFFFAOYSA-N 443.301 4.303 5 20 IIBD Cn1ccnc1Sc1ccc(F)cc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 502694756 OVUJDBSVHUFBQC-UHFFFAOYSA-N 438.444 4.057 5 20 IIBD O=C(NCc1ccc(COC2CCOCC2)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 505867906 ZPNPQJCGAGSFKL-UHFFFAOYSA-N 438.402 4.239 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(Sc3nnc(-c4ccccc4Br)o3)cc2N1 506806653 KWXGRGMOOOJSKO-UHFFFAOYSA-N 447.270 4.443 5 20 IIBD CSCc1cnc(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)s1 506979799 RNECPIHBTPMAMZ-UHFFFAOYSA-N 432.493 4.255 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)cc1[N+](=O)[O-])c1ccccn1 507067781 QYLZQDBFUWCTMG-KSZLIROESA-N 425.533 4.156 5 20 IIBD CC1(c2cccc(Br)c2)CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 509057782 URHXFCTXWDQENT-UHFFFAOYSA-N 432.318 4.010 5 20 IIBD CCN(CC)C(=O)Cc1ccc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1 510043362 IXYCIRBCIGLXEN-UHFFFAOYSA-N 448.317 4.329 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC(c2nc3ccccc3[nH]2)CC1 510819467 CXBNTQZJEOMPIK-UHFFFAOYSA-N 431.399 4.484 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)Nc2cccc(OCc3cccnc3)c2)cc1[N+](=O)[O-] 511119160 GOSFTGKCFBSHTR-UHFFFAOYSA-N 433.873 4.331 5 20 IIBD CC(C)[C@H](NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1nncn1C 512526772 JBBUMFQVRBZVAR-NRFANRHFSA-N 431.500 4.063 5 20 IIBD CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)s1 513090953 XJPYFEWNEZTVPB-STQMWFEESA-N 429.502 4.022 5 20 IIBD COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3csc([N+](=O)[O-])c3)[nH]c2c1 513857995 SYLCTPOULVNMBW-UHFFFAOYSA-N 430.467 4.009 5 20 IIBD NC(=O)c1ccnc(Oc2cccc(OCc3cccc(C(F)(F)F)c3)c2)c1[N+](=O)[O-] 515023890 NERVGLDRBYWQRS-UHFFFAOYSA-N 433.342 4.479 5 20 IIBD Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 517454519 VDSQMMIFFYXBAV-UHFFFAOYSA-N 447.495 4.213 5 20 IIBD CCOc1ccc(C(=O)NC2(c3cccc(Br)c3)CCOCC2)cc1[N+](=O)[O-] 517784228 BEGQYULIFMFRMU-UHFFFAOYSA-N 449.301 4.192 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)cc1 518892968 HKJWRJPSRNWUSZ-UHFFFAOYSA-N 445.541 4.215 5 20 IIBD Cc1cc(S(=O)(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)ccc1[N+](=O)[O-] 522417119 ZXJMLSXXZREGCQ-KRWDZBQOSA-N 449.287 4.111 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)c1ccccc1Oc1ccccc1 522516248 GYOPXNJQUCHVQU-OAHLLOKOSA-N 435.436 4.212 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N(Cc1cccc(F)c1)C[C@H]1CCCO1 524837933 NJAQEZSKJWXTPY-JOCHJYFZSA-N 429.492 4.447 5 20 IIBD CCN1CC[C@H](N(C)C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C[C@H]1C 524879791 IFLHIEYDMYFOSK-AOIWGVFYSA-N 425.533 4.108 5 20 IIBD C[C@@H](O)CN(Cc1ccccc1)C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 525494907 VOIAOQWOPGYQCI-CYBMUJFWSA-N 449.294 4.111 5 20 IIBD C[S@](=O)Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)ccc1Cl 530786350 GHUZPHQHSOZZNK-VWLOTQADSA-N 445.722 4.070 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1cnc2ccc(F)cc2c1)c1ccccc1[N+](=O)[O-] 535370953 RLHUZPHNADMKGM-LJQANCHMSA-N 425.416 4.095 5 20 IIBD C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCCOc1ncc(C(F)(F)F)cc1Cl 536872854 YFZHRUZFKWJEEH-LLVKDONJSA-N 446.813 4.048 5 20 IIBD CC(C)(C)OC(=O)C1CCC(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC1 537679962 AHJISTXKRBNZMJ-UHFFFAOYSA-N 447.532 4.048 5 20 IIBD CS(=O)(=O)c1ccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1C(F)F 538321228 VTAAQFMJUOVAIC-UHFFFAOYSA-N 439.440 4.132 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 538747288 QRBZQZZNKCJPAO-UHFFFAOYSA-N 449.429 4.137 5 20 IIBD C[C@H](C(=O)NC[C@@H](C)Oc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1F 541579870 GUUIHGKEJAKQFK-NEPJUHHUSA-N 425.254 4.184 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCOCC2(CCOCC2)C1 542377294 HEPOURMVOYXBOA-UHFFFAOYSA-N 427.457 4.048 5 20 IIBD CCN(CC)CCCC1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 543949040 RIBREZUNSADBFE-UHFFFAOYSA-N 430.593 4.172 5 20 IIBD CC(=O)N(CCc1noc(-c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1)C(C)C 545071580 PPHNASTYPFGVQJ-OAHLLOKOSA-N 438.488 4.012 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 550200688 SSZAEXABDYTWLH-UHFFFAOYSA-N 440.681 4.273 5 20 IIBD Cn1ccnc1[C@H](NCCc1cc(Br)ccc1F)c1cccc([N+](=O)[O-])c1 552252425 NAEVDALHGKMALA-GOSISDBHSA-N 433.281 4.152 5 20 IIBD COc1ccccc1O[C@H]1CCCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 553937865 LTFLQFVHPYHZTB-FQEVSTJZSA-N 427.501 4.179 5 20 IIBD CCc1ccnc(-c2noc(-c3cc([N+](=O)[O-])cc(I)c3C)n2)c1 558382589 VJKOTYHQZSFCSK-UHFFFAOYSA-N 436.209 4.182 5 20 IIBD CCOC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)c1cc(OCC)ccc1[N+](=O)[O-] 563459887 WROKGMLFJJXAEE-OAQYLSRUSA-N 436.464 4.051 5 20 IIBD COc1ccc([C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])c2ccccc2Cl)c(C)c1 574048654 PIWGRRGRPMLRME-SFHVURJKSA-N 426.860 4.261 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CC(Cc2cccc(C(F)(F)F)c2)C1 590424437 VSGXTTBLKPIWMU-UHFFFAOYSA-N 445.397 4.242 5 20 IIBD CCOc1cc(NC(=O)N[C@@H](CC)c2ccc3c(c2)OCCO3)c([N+](=O)[O-])cc1OCC 604083765 XHAQGPDAYJLIDY-HNNXBMFYSA-N 445.472 4.436 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccc3ncnc(O)c3c2)cc1[N+](=O)[O-])c1ccccn1 604500948 SFSGBPODXKROBO-CYBMUJFWSA-N 430.424 4.064 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)N2C[C@@H](c3ccccc3Cl)OC[C@@H]2C)cc1[N+](=O)[O-] 609545320 COSXFPXMFZLGFT-VOJFVSQTSA-N 445.324 4.361 5 20 IIBD O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609762336 KEJNEMXZXSCWID-UHFFFAOYSA-N 445.313 4.170 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC(c4cn[nH]c4)CC3)cc2[N+](=O)[O-])n1 609852388 MQUXCTJTGMGRJO-UHFFFAOYSA-N 429.527 4.254 5 20 IIBD CCOC(=O)c1ccnc(Sc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)c1[N+](=O)[O-] 609960144 DHDUHQZEBYMWEM-UHFFFAOYSA-N 441.513 4.411 5 20 IIBD O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 610016565 JIPSHBOHJSENAO-ZDUSSCGKSA-N 437.374 4.462 5 20 IIBD CC(=O)N[C@@H]1Cc2ccccc2N(C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)C1 610977288 DBHGRXJKARFXED-LJQANCHMSA-N 441.553 4.441 5 20 IIBD O=C(Nc1nnc(Cc2ccc(F)cc2)s1)c1sc(Br)cc1[N+](=O)[O-] 618374842 KVJGGLGGYHLZTD-UHFFFAOYSA-N 443.279 4.253 5 20 IIBD COc1ccccc1Oc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)cc1 619466530 VUZUGDURMDYVSB-UHFFFAOYSA-N 430.438 4.205 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] 725946315 QWTUIVGTISUDEM-WDEREUQCSA-N 441.267 4.333 5 20 IIBD CCCN(CC)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cn1 725970645 ZGJUILBNFTUKNA-ZDUSSCGKSA-N 434.880 4.064 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N1CCC[C@H](C2OCCO2)C1 728055325 OTRJZSKEUVHUIR-OXJNMPFZSA-N 445.903 4.013 5 20 IIBD CCN(CC)C(=O)c1ccc(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 729123109 UTOOXRLVGFZBTC-CQSZACIVSA-N 438.440 4.045 5 20 IIBD COc1cc(C2(C(=O)OCC3CCN(c4ncccc4[N+](=O)[O-])CC3)CCC2)ccc1C 729196067 WPQJLVHPDPYZNB-UHFFFAOYSA-N 439.512 4.188 5 20 IIBD O=C(c1ccccc1)c1cccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 729579802 IUZVNQJUZPXWDY-UHFFFAOYSA-N 430.464 4.180 5 20 IIBD O=C(COC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ccc2c(c1)OC1(CCCCC1)O2 730644710 DZVWAACRAHBMBI-UHFFFAOYSA-N 446.843 4.475 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N[C@@H](c1ccccc1)C1CCCCC1 731050554 AOWXWHKKQCZDDD-NRFANRHFSA-N 429.904 4.416 5 20 IIBD CCCCN1C(=O)N[C@@H](c2csc(-c3cccc([N+](=O)[O-])c3)n2)C(C(=O)OCC)=C1C 733120259 CJISFJHCGDBAMO-SFHVURJKSA-N 444.513 4.422 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCCCO[C@H]1CCCc2ccccc21 733791849 FCPXKKZIJSUGND-IBGZPJMESA-N 440.468 4.487 5 20 IIBD CC(C)[C@@H](OC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)C(=O)Nc1ccc2c(c1)CCC2 735354950 ZFHBSYKPZKJVIC-JOCHJYFZSA-N 449.463 4.157 5 20 IIBD CC[C@H](Cc1cccc(Br)c1)C(=O)OCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 735358481 UNEROSYDZYVVMJ-OAHLLOKOSA-N 449.301 4.132 5 20 IIBD O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 735822041 MMLBCFBYNHPVFO-UWTJGZSJSA-N 440.809 4.388 5 20 IIBD COc1ccccc1[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C 736004732 QPLJYMIDQUKDKL-KRWDZBQOSA-N 449.891 4.253 5 20 IIBD Cc1ccc(NCCCNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)c([N+](=O)[O-])c1 739655441 RZXBGGUAZKPXJX-UHFFFAOYSA-N 428.489 4.482 5 20 IIBD COC(=O)[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)c1cccc(Cl)c1 740422387 JENRLEXGNYCFGE-AWEZNQCLSA-N 428.622 4.082 5 20 IIBD O=C(CCn1cc([N+](=O)[O-])cn1)O[C@@H](Cc1ccccc1)c1ccc(Br)cc1 741115375 JKGSNTQVCVCYPC-IBGZPJMESA-N 444.285 4.471 5 20 IIBD CCN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)[C@@H](Cc1ccc(F)cc1)C(C)C 744378690 LXCSDIDCEJUOBE-QHCPKHFHSA-N 443.519 4.300 5 20 IIBD CCc1noc([C@H](C)OC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n1 744591184 QDTMWHBMKVAMBR-HNNXBMFYSA-N 447.451 4.240 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OCc1ncc(-c2ccc(Br)cc2)o1 744625124 LFKFGWLISMHKKG-UHFFFAOYSA-N 446.257 4.435 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@H](C)c1ccc(Br)s1 745640962 RJABWKJJCRLMRE-SNVBAGLBSA-N 427.276 4.013 5 20 IIBD Cc1[nH]nc(C(F)(F)F)c1C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 746584115 ZQZOQEKNHJDAOE-UHFFFAOYSA-N 434.330 4.117 5 20 IIBD CN(C(=O)c1ccc(Oc2ccccc2)o1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 749025633 QFWMOXGNVICGMQ-UHFFFAOYSA-N 436.829 4.094 5 20 IIBD CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 751114745 NEBYHLXJMRDTNI-UHFFFAOYSA-N 442.371 4.301 5 20 IIBD CCN([C@H](c1cccnc1)c1ccc(F)c(C)c1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 751125992 OVMTWJTUXRHETE-FQEVSTJZSA-N 447.463 4.377 5 20 IIBD CCN(C(=O)c1cccc([N+](=O)[O-])c1Br)c1ccc(Br)cn1 758215976 WAGJTUKLSYNBGZ-UHFFFAOYSA-N 429.068 4.182 5 20 IIBD COc1cccc2c1CC[C@H]2Nc1cc([N+](=O)[O-])c(OC)c(Br)c1[N+](=O)[O-] 759715178 VUOWUFCMAXNUBH-LLVKDONJSA-N 438.234 4.382 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCc2ccccc2-c2cnn(C)c2)CC1 759770044 COAZJOVQJBFYTC-UHFFFAOYSA-N 433.512 4.162 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1c[nH]cc1-c1ccc2c(c1)OCCO2 760530248 ZKVFJNPCSYKDLM-UHFFFAOYSA-N 447.403 4.373 5 20 IIBD CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 760851358 HWWZFMOMMRBVIS-UHFFFAOYSA-N 439.740 4.283 5 20 IIBD CC(C)(C(=O)OC[C@H]1CCCN(C(=O)c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F 763015889 TYIXSWKZCINTCY-INIZCTEOSA-N 428.460 4.107 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)O[C@@H]3CCO[C@H](C4CCOCC4)C3)cc2[N+](=O)[O-])C1 763149256 PBBIZTFVBPRHQR-UGBDLMATSA-N 446.544 4.208 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-] 763809021 DLICENCRUUOZQW-UHFFFAOYSA-N 426.834 4.252 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)Nc1cc(C)cc(C)c1 763810218 LCXYTOKVKGZRJL-HNNXBMFYSA-N 432.498 4.134 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)c1ccc(Br)cc1 766228122 SWCLJEIMPRWVAF-LLVKDONJSA-N 429.226 4.334 5 20 IIBD C[C@@H](OC(=O)CSc1nccc2ccccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 767416172 XHAYYTJRZMBSAQ-GFCCVEGCSA-N 445.884 4.459 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)[C@H](O)c1ccccc1 768644160 DLSZJBWZVBVZNE-WOJBJXKFSA-N 440.839 4.205 5 20 IIBD COc1cc(CN2CCC[C@H]2C[C@H](O)c2ccco2)c([N+](=O)[O-])cc1OCC(F)(F)F 770320668 DWICDKFGHZEHFA-HOCLYGCPSA-N 444.406 4.226 5 20 IIBD Cc1ccc([C@@H](C)NCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1[N+](=O)[O-] 775549212 JRKKFAMWRUTKRV-QGZVFWFLSA-N 432.480 4.445 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@@H]3CCc4c(Cl)cccc43)CC2)ccc1[N+](=O)[O-] 776090281 IWGCZGWMKVYITO-GOSISDBHSA-N 430.888 4.499 5 20 IIBD O=[N+]([O-])c1ccc2nc(NS(=O)(=O)C3=Cc4ccc(OC(F)F)cc4CC3)ccc2c1 776301783 YTCOPSOSJAVWRY-UHFFFAOYSA-N 447.419 4.473 5 20 IIBD CN(Cc1ccccc1)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)cc1 776308691 RVMSDFZBJUDSLU-UHFFFAOYSA-N 446.507 4.320 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)c(Cl)c1 777848475 BUEMFTZTASSESW-NSHDSACASA-N 448.280 4.085 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 778767137 LAYXAIPBWRGKKI-SFHVURJKSA-N 440.830 4.435 5 20 IIBD Cc1cc(F)c2nc(O)cc(C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c2c1 778870251 SSJQZKHWBGXPOL-SNVBAGLBSA-N 447.806 4.134 5 20 IIBD CC[C@@H](C)N(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])Cc1nc(O)c2ccccc2n1 778965646 DYSNOVIYHOQHKM-CYBMUJFWSA-N 443.891 4.136 5 20 IIBD O=C(NOCc1ccc(F)cc1Br)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 781119921 QGLBLDBQZZSYPW-UHFFFAOYSA-N 437.143 4.377 5 20 IIBD O=C(OCc1noc(-c2ccc(F)cc2F)n1)c1ccc([N+](=O)[O-])cc1Br 781179862 RDRTYJUYSGMLIE-UHFFFAOYSA-N 440.156 4.043 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 783849305 JPXSSBRAAHKAHU-IRXDYDNUSA-N 435.524 4.247 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 784483319 OTLDWNWLPQVGFK-UKRRQHHQSA-N 437.418 4.439 5 20 IIBD C[C@H](CNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 785624958 NLWOWNXGFNPRBC-GFCCVEGCSA-N 425.363 4.374 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(O)(c1ccccc1)c1ccccc1 787604667 YYOAKBYVCNCLDR-UHFFFAOYSA-N 430.382 4.166 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)Nc1c(F)cccc1F 792475294 XUOZOGMRFLIIPA-SECBINFHSA-N 443.200 4.128 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1csc(CCNC(=O)OC(C)(C)C)n1 793168200 REXWGQYWSLTDCU-UHFFFAOYSA-N 448.545 4.169 5 20 IIBD O=C(NC[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1)OCc1ccccc1 794752743 VXWQHKUGFDXFLY-MRXNPFEDSA-N 446.891 4.419 5 20 IIBD C[C@H](OC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 796441610 BDAOHPAESOBBMS-NSHDSACASA-N 435.820 4.004 5 20 IIBD CC(C)N(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccc(CC(=O)N(C)C)cc1 799450410 VVHRFLCOWRJPNK-UHFFFAOYSA-N 448.317 4.043 5 20 IIBD COc1c([N+](=O)[O-])cc(N[C@@H]2CCCC23CCOCC3)c([N+](=O)[O-])c1Br 799976625 UKHKXCTZHRCBMU-GFCCVEGCSA-N 430.255 4.035 5 20 IIBD CN(C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C1CCCCCC1 800696700 RLCTVLROTYRBSR-UHFFFAOYSA-N 432.498 4.157 5 20 IIBD C[C@@H](OC(=O)c1ccccc1Oc1cnn(C)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 801466387 NHSYNIPTEVZSLE-CYBMUJFWSA-N 435.396 4.089 5 20 IIBD CNc1ccc(C(=O)NCc2cccc3c2CCCN3C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 805308700 ISWNJRJGOIPNPU-UHFFFAOYSA-N 440.500 4.254 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N1CCC[C@H]1/C=C\c1ccccc1 810383115 YNQKCVXEEABANY-YHWKNFMLSA-N 444.285 4.000 5 20 IIBD Cc1c(CNC(=O)N2CCC([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cccc1[N+](=O)[O-] 811909348 XUNFJGMHIHBCKG-LJQANCHMSA-N 446.548 4.082 5 20 IIBD COCCn1c(N[C@@H](C)[C@@H](OC)c2ccccc2Cl)nnc1-c1cccc([N+](=O)[O-])c1 812091156 COKSKRAEPAXTDD-IFXJQAMLSA-N 445.907 4.341 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 813803926 PMXCZYYYQHEPBK-IBGZPJMESA-N 444.532 4.058 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc(N2CCCOC2=O)cc1 817279186 OHXAAXAPRUYRCZ-GFCCVEGCSA-N 437.374 4.451 5 20 IIBD CC1=C(C(=O)Nc2cc(C)on2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1Cc1ccccc1 839407183 RUQFHZHLMYHHTQ-OAQYLSRUSA-N 447.451 4.070 5 20 IIBD Cc1sc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)nc1-c1ccccc1 913123371 MHXSOOWRPSHXDC-CQSZACIVSA-N 440.456 4.157 5 20 IIBD CCCOc1c(Cl)cc(C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1OC 914796930 BNSNPZVKOMIPDK-UHFFFAOYSA-N 447.831 4.453 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1 915219794 UQUZAUOLPPNPLX-UHFFFAOYSA-N 437.429 4.444 5 20 IIBD C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 917939506 SGZPPYJJMABEPE-QWRGUYRKSA-N 426.351 4.200 5 20 IIBD O=c1oc2cc(Br)c(F)cc2n1Cc1ccc([N+](=O)[O-])cc1Br 1320906264 TYXLGGVFPQINOW-UHFFFAOYSA-N 446.026 4.215 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Br)C1 1321394847 SDKWGRBNGSKTFB-KBPBESRZSA-N 442.354 4.483 5 20 IIBD CCCN(Cc1nc(O)c2sccc2n1)Cc1c(Br)cccc1[N+](=O)[O-] 1334513966 QSGVBBOWMPCCLB-UHFFFAOYSA-N 437.319 4.480 5 20 IIBD C[C@@H]1CCCN(C(=O)CCNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 1337777559 RXARDMMWEOSYAD-MRXNPFEDSA-N 427.526 4.124 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(c1nnc(C3CCCCC3)n1C[C@@H]1CCCCO1)CC2 1515480920 VDVMFQUXAUUVDL-NRFANRHFSA-N 425.533 4.366 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])NC1(c2ccc(NC(=O)c3cccnc3)cc2)CCC1 1787307965 YQKYUTCMXOTLRJ-MDWZMJQESA-N 442.475 4.451 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3cccc(F)c3[N+](=O)[O-])cc2)CCC1)c1cc(F)c[nH]1 1790699193 WIMDZTVEKYIPHQ-UHFFFAOYSA-N 440.406 4.263 5 20 IIBD C[C@@H]1CCC[C@H]1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(F)c2[N+](=O)[O-])n[nH]1 1821170638 YGWCDRLXPWTYIP-LBTNJELSSA-N 443.479 4.199 5 20 IIBD CCC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)CCC1 1823679172 HJOHPDLEJJZEMT-JOCHJYFZSA-N 441.572 4.337 5 20 IIBD COc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C(C)C)CC2)ccc1[N+](=O)[O-] 1832697193 HZGKPYXSXAZGME-OSICKASQSA-N 443.544 4.049 5 20 IIBD Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N2[C@@H](C)CCC[C@H]2C)n1 3520620 LSEHTXXQJZKMDT-OKILXGFUSA-N 449.554 4.457 5 20 IIBD CCOc1ccccc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 9720009 JURBZRRHNJTCJL-UHFFFAOYSA-N 441.484 4.025 5 20 IIBD O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 10663249 SLCDECXTJCLIBM-UHFFFAOYSA-N 438.823 4.275 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Cc1c(F)cccc1Cl 16014851 VGVZCQUEWQSIOB-UHFFFAOYSA-N 432.839 4.417 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1F 21874430 SDILWPVMSMOLFR-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 23134923 RLGYMPUGTMFIPG-UHFFFAOYSA-N 430.258 4.046 5 20 IIBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1nc2ccc(Oc3ccccc3)cc2s1 57614285 CDBKSQLUHDUEAH-UHFFFAOYSA-N 448.460 4.365 5 20 IIBD Cc1ccc(N2C(=O)C[C@H](C(=O)NCc3ccc([N+](=O)[O-])cc3)[C@H]2c2cccs2)cc1 59786373 NHTJSWOIQOEJHA-UGKGYDQZSA-N 435.505 4.375 5 20 IIBD C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)Nc2ccccc2)cc1 60755947 ZQGMIZWLADPRQV-OAHLLOKOSA-N 440.481 4.278 5 20 IIBD O=C(Nc1nnc(SCc2cccs2)s1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 60934270 DERYFKMKBNOBOF-UHFFFAOYSA-N 444.523 4.238 5 20 IIBD COc1ccc(Cl)cc1-c1n[nH]c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)n1 68914829 WJEDLDNZXVJOOR-UHFFFAOYSA-N 434.861 4.201 5 20 IIBD O=C(Nc1nnc(SCc2cccs2)s1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 108714163 LWHCBCOBYPSZRV-UHFFFAOYSA-N 444.523 4.238 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCN(C)c3ccccc3C2)cc1[N+](=O)[O-])c1ccccn1 110729332 FMHJUQDRNVKGPO-QGZVFWFLSA-N 431.496 4.255 5 20 IIBD Cc1cc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)n(-c2ccc([N+](=O)[O-])cc2)n1 253478361 KOBKWZWYSPSCIX-UHFFFAOYSA-N 446.467 4.085 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NC[C@H](O)c2c(Cl)cccc2Cl)c([N+](=O)[O-])c1 301374549 VIRBMKZFTZDOBW-INIZCTEOSA-N 435.267 4.012 5 20 IIBD Cc1c(Oc2ccc([N+](=O)[O-])cc2Br)nn2c(C(F)(F)F)nnc2c1C 301954719 KVANVKYAOBKXFL-UHFFFAOYSA-N 432.156 4.223 5 20 IIBD CC1CCN(c2cccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)c2)CC1 303808392 NAGMRGDPVBINOP-SFHVURJKSA-N 442.541 4.136 5 20 IIBD C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 410098903 DGVQLBLIQOMYNO-GFCCVEGCSA-N 440.374 4.016 5 20 IIBD CC[C@H](CSc1ccc(C)c(C)c1)NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 425913393 CMWLEOIJDDXINI-QGZVFWFLSA-N 431.562 4.326 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(F)cc2I)c1 426871283 KLEFNUHLSOCNAO-UHFFFAOYSA-N 432.214 4.313 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@H](C)c3nc(Cc4ccccc4)no3)cc2[N+](=O)[O-])CC1 427222363 ILLGTXHHLLFWKN-QGZVFWFLSA-N 449.511 4.296 5 20 IIBD O=C([C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 427822221 YPMUJBYQHGBACF-DLBZAZTESA-N 437.525 4.315 5 20 IIBD O=C(c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)N1CCC[C@H]1CCO 428586090 UIJSJBYEQYVPNZ-AWEZNQCLSA-N 429.523 4.343 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)N(C)[C@@H]2CC[C@H](C)C2)cc([N+](=O)[O-])c1C 430443382 CDXXTPJEGNKDJC-WMLDXEAASA-N 445.541 4.273 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@@H](C)c3noc(Cc4ccccc4)n3)cc2[N+](=O)[O-])CC1 430586739 ZEBLPHAZKDZYLL-KRWDZBQOSA-N 449.511 4.296 5 20 IIBD O=C(CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1)N1CCCCC1 430937383 BKCJPLNMHZVRLN-UHFFFAOYSA-N 446.301 4.017 5 20 IIBD C[C@@]1(CCc2ccccc2)CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C1 434234895 FUQZDADWAWHINH-WZONZLPQSA-N 441.553 4.132 5 20 IIBD CC[C@@](C)(COc1ncccc1Cl)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 435453667 VAERLJJLJRZSLW-KRWDZBQOSA-N 442.697 4.383 5 20 IIBD CC(=O)Nc1ccc(F)c(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 435867035 KBMKPWPFURJJNJ-UHFFFAOYSA-N 425.366 4.309 5 20 IIBD C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437985760 MQKBBSBXNSQANF-HROJSSOGSA-N 436.556 4.425 5 20 IIBD C[C@@H]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)[C@@H]1c1ccc(C(F)(F)F)cc1 438184695 XZAIMMGOBSONFM-YJYMSZOUSA-N 445.401 4.418 5 20 IIBD CCOC(=O)c1cccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 439240422 VNUQJFWNDNEHRY-UHFFFAOYSA-N 440.477 4.167 5 20 IIBD Cc1cc(C)nc(N2CCN(C(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])CC2)n1 441301343 JFXTYORJPNLTFC-UHFFFAOYSA-N 449.536 4.115 5 20 IIBD C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 444406008 VDTCAPXEUFRRSG-HXPMCKFVSA-N 427.844 4.104 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 444895186 BCVSJATXIYXTKV-BFUOFWGJSA-N 436.871 4.210 5 20 IIBD CC(=O)Nc1cccc(-n2cnnc2SCc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 448095649 AVMKUYCOVVLMHO-UHFFFAOYSA-N 437.403 4.445 5 20 IIBD Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cccc1-n1cnnc1O 461098310 NTYNNHMMPLKPQB-UHFFFAOYSA-N 444.451 4.054 5 20 IIBD Cc1cc(-c2nnc(N3CCc4ccc([N+](=O)[O-])cc4C3)n2C[C@H]2CCCCO2)c(C)o1 461657799 CZSFKIJZKNPRAM-HXUWFJFHSA-N 437.500 4.195 5 20 IIBD CC(C)(C)c1noc(COc2ccc(OCc3cc([N+](=O)[O-])cc4c3OCOC4)cc2)n1 462646825 IQTNSYBCWXEMIK-UHFFFAOYSA-N 441.440 4.300 5 20 IIBD O=C(COc1cc(Cl)cc(Cl)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464660686 IVYGSCWWSGEUTD-UHFFFAOYSA-N 425.268 4.350 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H]2CCN(CC(C)C)C2)cc1 465274049 UBGUSFIQORDAMP-KRWDZBQOSA-N 427.501 4.103 5 20 IIBD COc1ccccc1OCC(=O)Nc1cccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])c1 466294665 ASPJTBYUKCPKSD-UHFFFAOYSA-N 439.399 4.012 5 20 IIBD C[C@H](O)C[C@H](CNC(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)c1ccccc1 468798154 BOTQXQNKTZQQII-LMVRJCEZSA-N 439.556 4.362 5 20 IIBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1NC12CC3CC(CC(C3)C1)C2 473848662 HRMXWFQWRLYGAZ-UHFFFAOYSA-N 448.523 4.344 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 475573463 IRCMQFPICOVREN-UHFFFAOYSA-N 430.892 4.245 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)c1[N+](=O)[O-] 479125185 CYVYXCFXSOEPQE-UHFFFAOYSA-N 438.918 4.108 5 20 IIBD CCN(Cc1cccc(Br)c1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 482354197 DFWHSCRIRKTUCW-UHFFFAOYSA-N 443.301 4.420 5 20 IIBD CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 482762439 OFJFAKSUHMCSGU-ZSEKCTLFSA-N 429.860 4.068 5 20 IIBD O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCO[C@H](COCC2CC2)C1 485565560 UAQKUORUCUVADW-IBGZPJMESA-N 428.510 4.014 5 20 IIBD O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 494290443 LWJBHMYIMCBTEB-FQEVSTJZSA-N 431.492 4.430 5 20 IIBD Cc1cc(NC(=O)c2ccc(-c3noc(C(F)F)n3)cc2)n(-c2ccc([N+](=O)[O-])cc2)n1 495328180 NPGXCEOOHPMCQD-UHFFFAOYSA-N 440.366 4.329 5 20 IIBD COc1ccccc1[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 498267980 RMRWCRXDSPBYGZ-HXUWFJFHSA-N 429.860 4.481 5 20 IIBD CCC(=O)N[C@H]1CCCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 499532300 IAULRNNDHQTFCO-KRWDZBQOSA-N 427.526 4.185 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCC[C@H]1c1cccc(Br)c1 500676742 HNZQBCAQXRDAMK-KRWDZBQOSA-N 439.331 4.067 5 20 IIBD CC(C)N1CCN(c2cccc(NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)c2)CC1 502879439 HRVFRAQHHZKVBJ-KRWDZBQOSA-N 428.558 4.245 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 502940450 KSXRLNBBDXXUMG-UHFFFAOYSA-N 426.454 4.278 5 20 IIBD CC[C@@H](CSc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 504777942 HCNHSVSTIHITBR-RXVVDRJESA-N 441.553 4.195 5 20 IIBD COc1ccc([C@@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C(F)(F)F)cc1 505402740 LONCFFSQDHGZRR-QGZVFWFLSA-N 432.782 4.446 5 20 IIBD O=C(CC1CCCC1)N1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 506477145 MHRKEZMKTZKJOZ-UHFFFAOYSA-N 428.558 4.333 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)Sc3ccc([N+](=O)[O-])c(S(C)(=O)=O)c3)n2)cc1F 507613453 BYOQTFYAGMKSTD-LLVKDONJSA-N 437.474 4.349 5 20 IIBD CCn1c(SCCC(=O)Nc2ccc3c(c2)OCO3)nc2cc3ccccc3cc2c1=O 507741459 MRYCCUJCEFQAHK-UHFFFAOYSA-N 447.516 4.419 5 20 IIBD CC(C)(C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1csc(-c2ccccc2F)n1 508069097 QFIAOPGDTMGDAA-UHFFFAOYSA-N 439.472 4.328 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)ccc2C)c([N+](=O)[O-])c1 509559750 UNAYLNJAOYUPDI-HOTGVXAUSA-N 445.541 4.131 5 20 IIBD CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(I)c2C)C1 510070801 KKJVZEQCXZYSMX-DGCLKSJQSA-N 448.326 4.254 5 20 IIBD CC(C)(C)c1csc(NC(=O)c2ccc([N+](=O)[O-])cc2I)n1 510964138 WVVARYGGXKBRJS-UHFFFAOYSA-N 431.255 4.206 5 20 IIBD COc1cc(C(=O)N2CCc3sccc3[C@@H]2C)c([N+](=O)[O-])cc1OCc1cscn1 512306716 RZLJDFSBQWQLQK-LBPRGKRZSA-N 445.522 4.460 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@](O)(C(F)(F)F)CC2)cc1OC 512566549 XTMFNXYOWCZRNM-IFXJQAMLSA-N 434.455 4.308 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])NCc1cccc(NC(=O)c2ccc(F)cc2)c1 515446478 QIZNHQAWYQJPGZ-UHFFFAOYSA-N 437.427 4.072 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCN(CC(F)(F)F)CC1 515785755 FVXMLGQQRHBCCU-UHFFFAOYSA-N 425.432 4.066 5 20 IIBD COc1ccc([C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c2c[nH]c3ccccc23)cc1 516466076 LHKNNUYIXSJNKR-LJQANCHMSA-N 448.454 4.368 5 20 IIBD O=C(c1ccccc1)c1ccc(NCc2ccc(CN3CCC(O)CC3)cc2)c([N+](=O)[O-])c1 517874456 WEMRWQDDHDTCQZ-UHFFFAOYSA-N 445.519 4.395 5 20 IIBD O=C(NCc1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1)c1ccc(Br)cc1 518068216 JOPWJLXJPYFMSD-UHFFFAOYSA-N 427.258 4.426 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N2C[C@H](C)OC(C)(C)C2)cc1[N+](=O)[O-] 519951903 HGKYHCFVIHLURX-AWEZNQCLSA-N 428.510 4.187 5 20 IIBD COc1ccc([C@H](NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)c2ccc(F)cc2)cc1 519985094 NZXAWUOVWZZMSK-HSZRJFAPSA-N 440.427 4.036 5 20 IIBD COc1cc(C(=O)N[C@H](C)C(=O)NC(C)(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 520757367 PNQCWQDSTBPJKT-GFCCVEGCSA-N 449.891 4.082 5 20 IIBD CN(C(=O)Cc1ccc(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 521007170 GRZWIQUXFZKNFB-UHFFFAOYSA-N 448.479 4.001 5 20 IIBD Cc1ccc(-c2ccncc2)cc1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 522387403 MMWQUFTXBVIDBF-UHFFFAOYSA-N 432.436 4.292 5 20 IIBD COc1ccc(Cl)cc1N1CC[C@H](NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 523256091 STMCDYOICOGOMS-HIFRSBDPSA-N 435.933 4.133 5 20 IIBD Cc1ccc(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] 523714001 YWPSVIZWALEUIX-VQIMIIECSA-N 435.402 4.470 5 20 IIBD CCOc1cc2c(cc1OCC)CN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])CC2 523956749 AQCCXDLFMXSMJB-UHFFFAOYSA-N 448.903 4.399 5 20 IIBD O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC(c2ccccc2Br)CC1 525885855 UAVFJNJZJZFCCE-UHFFFAOYSA-N 433.258 4.106 5 20 IIBD CCO[C@@H](C)c1nc(CN2CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)cs1 530856136 XBDHUMMPVIJWEE-ZDUSSCGKSA-N 444.479 4.490 5 20 IIBD COc1cc(S(=O)(=O)N(C)[C@H](c2ccncc2)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] 532094163 DAEURBYOGGQBHI-FQEVSTJZSA-N 447.900 4.062 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCc2ccccc21 536470037 YNFYKSIGQWGVIG-INIZCTEOSA-N 428.510 4.100 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1c[nH]c2c(C)cccc12 536518844 VDPBHNONHJIMPN-UHFFFAOYSA-N 441.509 4.012 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 538262697 GZDCHLYDHJNNSE-KXBFYZLASA-N 425.268 4.317 5 20 IIBD COC(=O)CN(Cc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1)C1CCOCC1 539850039 YGDNWFKERMIBEW-UHFFFAOYSA-N 430.526 4.208 5 20 IIBD COc1cccc(Oc2ncccc2CNC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])c1 540626291 JMAWXRLFMXLFCI-UHFFFAOYSA-N 437.452 4.184 5 20 IIBD C[C@]1(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCO[C@@H]1C1CC1 541406041 LUPZKZNMHCAYKT-RPBOFIJWSA-N 446.507 4.064 5 20 IIBD CC(C)c1[nH]nc(C(=O)N[C@@H](c2ccc(OC(F)(F)F)cc2)C(F)(F)F)c1[N+](=O)[O-] 542066155 VGXUSLHXAYIGJM-ZDUSSCGKSA-N 440.300 4.373 5 20 IIBD C[C@H](O)C[C@@H](C)NC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 543044671 XBMGMMJOAWYNIR-NEPJUHHUSA-N 425.844 4.138 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(F)c(OC(C)C)c(F)c2)ccc1[N+](=O)[O-] 543135874 FXWSIBXUUMRFHK-LJQANCHMSA-N 447.438 4.212 5 20 IIBD O=[N+]([O-])c1ccc(-n2cc(-c3nc(-c4ccccc4CN4CCCCC4)no3)cn2)cc1 544878045 MBBRNXPWJIUWOG-UHFFFAOYSA-N 430.468 4.483 5 20 IIBD O=[N+]([O-])c1ccccc1Cc1noc(-c2cc(F)c(F)cc2I)n1 544911418 JPEQQVJUDMNVNU-UHFFFAOYSA-N 443.147 4.118 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC(Oc2cccc(Br)c2)CC1 546115421 QHLZCKCRLNSTTK-UHFFFAOYSA-N 448.317 4.229 5 20 IIBD COc1cc(OCc2nc(Cc3ccc(OC(F)(F)F)cc3)no2)ccc1[N+](=O)[O-] 547022349 AMABDBFWEKSANU-UHFFFAOYSA-N 425.319 4.055 5 20 IIBD CC1CCN(Cc2ccccc2CN[C@@H](c2cccc([N+](=O)[O-])c2)c2nccn2C)CC1 552033867 WDXIEBBIHCNROA-DEOSSOPVSA-N 433.556 4.439 5 20 IIBD CCn1cnnc1NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 552647607 UYJFAHIAAFBMJM-UHFFFAOYSA-N 426.483 4.219 5 20 IIBD CC(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 555356121 AHXPNIKAKZPWHY-UHFFFAOYSA-N 434.504 4.029 5 20 IIBD Cn1ccc2ccc(NC(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)cc2c1=O 557202010 JQGTXCFEFRASIM-UHFFFAOYSA-N 428.448 4.311 5 20 IIBD CCN(CC)Cc1ccc(-c2nc(Cc3cc(OC)cc(OC)c3[N+](=O)[O-])no2)cc1 558385524 FCENAUDJMSULPC-UHFFFAOYSA-N 426.473 4.095 5 20 IIBD CN([C@H]1CC[C@@H](C(F)(F)F)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 567389814 PQNWKHCVACNBOR-AOOOYVTPSA-N 445.257 4.099 5 20 IIBD COc1ccc([C@H](C)NC(=O)c2sc(Br)cc2[N+](=O)[O-])c(C)c1OC 569143875 LXTXKANIPSLDSM-VIFPVBQESA-N 429.292 4.235 5 20 IIBD COC(=O)[C@H](C)N(C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1C 580749698 JFSMGSYAPYXZNN-KBPBESRZSA-N 449.301 4.364 5 20 IIBD O=C([C@H]1CCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1)N1CCCC1 582479494 JWGKKVKUPUNXDC-KRWDZBQOSA-N 429.904 4.485 5 20 IIBD COC(=O)[C@@H](NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc(OC(F)F)cc1 582917612 KWZYPIWKROJUJV-HNNXBMFYSA-N 434.317 4.219 5 20 IIBD COc1ccc(Cl)cc1-c1nc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n[nH]1 594217423 WILNPPTWTZNWNO-UHFFFAOYSA-N 433.877 4.081 5 20 IIBD CCCN1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)CC1 598770833 ZIDONQCMFUTOAQ-UHFFFAOYSA-N 433.892 4.217 5 20 IIBD COc1ccc(CN(C)C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1OC 598784736 XVOZQQAPDVJPMZ-IAGOWNOFSA-N 441.528 4.367 5 20 IIBD CC(C)COc1ccccc1[C@H](CC(C)C)Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 600848969 LDSQFFPASDHPDE-SFHVURJKSA-N 435.546 4.476 5 20 IIBD Cc1ccc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1F 603645155 URHONSFWMKNRDJ-UHFFFAOYSA-N 426.370 4.415 5 20 IIBD C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 603732674 SAYAIDOYBUJTRW-CQSZACIVSA-N 436.493 4.470 5 20 IIBD C[C@@H](NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)c1cccc2ccccc12 603747033 RZRAMMUFTKZUDS-OAHLLOKOSA-N 438.509 4.038 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCc3ccnc(N4CCCC4)c3)cc2[N+](=O)[O-])C1 603839950 IATHWPJSMHFVFC-ROUUACIJSA-N 437.544 4.002 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2cccnc2N2CCCC2)cc1[N+](=O)[O-])c1ccccn1 604335910 GXLACAYKORVZOH-INIZCTEOSA-N 432.484 4.410 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCCN(c4nccs4)CC3)c([N+](=O)[O-])c2)cc1 608974689 YMNMWGAJORKGOE-UHFFFAOYSA-N 437.525 4.329 5 20 IIBD O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CC(Oc2ccccc2)C1 609030476 MBXMZKXWBNFZJQ-UHFFFAOYSA-N 449.429 4.120 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(-c3cccnc3Oc3ccccc3)no2)ccc1-n1cncn1 609475402 ZHNKEDXNWFDQQA-UHFFFAOYSA-N 427.380 4.080 5 20 IIBD COCc1c(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])oc2ccccc12 609509726 NSRRFJYDZRCWQA-UHFFFAOYSA-N 437.374 4.348 5 20 IIBD CS[C@H]1CCC[C@H](NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)C1 609764295 KELGJGOSXDJKHM-IRXDYDNUSA-N 441.553 4.296 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OCC3CCOCC3)cc2)cc1SC 609908585 GDGHYXIEHYHLKT-UHFFFAOYSA-N 432.498 4.383 5 20 IIBD CC(C)(C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1)c1ccc([N+](=O)[O-])cc1 610061573 CRRCVCKPJNFGHN-HNNXBMFYSA-N 446.345 4.278 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(CCCc2ccc(C(F)(F)F)cc2)CC1 610504323 RZJXXZYNELOBJG-UHFFFAOYSA-N 427.448 4.066 5 20 IIBD CC(C)(C)OCc1ccc(NC(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 615092347 HLYUNUCHQAWDIR-UHFFFAOYSA-N 425.485 4.040 5 20 IIBD Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)N(C)c3ccc([N+](=O)[O-])cc3)n12 619825089 GXVCPYSLRZTTNS-UHFFFAOYSA-N 435.509 4.471 5 20 IIBD COc1cc(C(=O)OCC(=O)N2c3ccccc3CCc3ccccc32)ccc1[N+](=O)[O-] 725949066 WTTBVJSLHXHYQF-UHFFFAOYSA-N 432.432 4.224 5 20 IIBD Cc1ccc(/C(O)=C(/C(=S)NCCc2cccs2)[n+]2cccc(O)c2)cc1[N+](=O)[O-] 727812769 SLDIKUJVLCAXBS-UHFFFAOYSA-O 442.542 4.001 5 20 IIBD O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1cc2cc([N+](=O)[O-])ccc2s1 729191842 GXRHCFJUSDWFNU-UHFFFAOYSA-N 442.453 4.186 5 20 IIBD Cc1nc(CCC(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)oc1-c1ccccc1 730334986 JDNDARCPGYIPKM-UHFFFAOYSA-N 434.408 4.284 5 20 IIBD O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1CCCC[C@@H]1c1cc2ccccc2[nH]1 731026183 BMONPQKQJQFYAJ-HSZRJFAPSA-N 429.480 4.485 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)c1 731215264 UEPBVFUGJIOPMP-UHFFFAOYSA-N 443.662 4.327 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1C(=O)O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 731509812 IPNRYWQMHHGLIQ-QGZVFWFLSA-N 441.440 4.128 5 20 IIBD CC(C)c1ccc2c(c1)CCCN2C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 731970109 DGTFCWMUHNBHSX-SFHVURJKSA-N 427.526 4.364 5 20 IIBD O=C(OCc1nc(-c2ccccc2)cs1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 732498120 XQYZCSZJAPRTNE-OAHLLOKOSA-N 443.506 4.128 5 20 IIBD CC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccc(Cl)s1 733937175 OSPQEHXGRUTKQB-GWCFXTLKSA-N 425.869 4.069 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1Cl)C1CCN(C(=O)/C=C\c2ccccc2)CC1 734782194 NVSVLWXTDRLYHL-TWGQIWQCSA-N 428.872 4.243 5 20 IIBD CC(=O)N1C[C@H](C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)Oc2ccccc21 735251474 NKIMAFZNNNWIHK-JOCHJYFZSA-N 433.420 4.140 5 20 IIBD COc1cc(N2CCC(OC(=O)c3csc(-c4ccoc4)n3)CC2)ccc1[N+](=O)[O-] 739380837 OAKGUBWAIGBNFB-UHFFFAOYSA-N 429.454 4.146 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1CNc1cc(Cl)ccc1OCCS(C)(=O)=O 742464599 UMCKHMZCTYDQMP-UHFFFAOYSA-N 442.921 4.071 5 20 IIBD COC(=O)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(Cl)c1 743797179 UNOYXMIVGHBJGD-XHDPSFHLSA-N 441.267 4.090 5 20 IIBD C[C@H](Sc1ncccc1C(=O)OCc1cc(Cl)ccc1[N+](=O)[O-])C(=O)N1CCCC1 746073663 YPPJEERYNKGLKJ-ZDUSSCGKSA-N 449.916 4.103 5 20 IIBD C[C@@H](OC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ncc(C(C)(C)C)o1 747673689 QGUSZUNHTAFIDP-LLVKDONJSA-N 431.474 4.078 5 20 IIBD CC(C)(C)C[C@@H](CO)NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 749379202 JDNRNPSKVCWQAQ-ZDUSSCGKSA-N 433.892 4.027 5 20 IIBD O=C(NCCOc1ccc(F)c(F)c1)c1cc(Br)cc([N+](=O)[O-])c1Cl 749428516 CDJOOQCVDYKNQY-UHFFFAOYSA-N 435.608 4.098 5 20 IIBD CCOC(=O)Nc1ccc2c(COC(=O)c3cccc(Cl)c3[N+](=O)[O-])cc(=O)oc2c1 750535099 DVWSEEKIRBSKGU-UHFFFAOYSA-N 446.799 4.280 5 20 IIBD O=C(CN(Cc1ccccc1F)C(=O)c1cc(F)ccc1[N+](=O)[O-])Nc1ccccc1F 751346225 YQSMTRZUYOAJLP-UHFFFAOYSA-N 443.381 4.293 5 20 IIBD C[C@H](OC(=O)c1cnc(OCC2CC2)c(Cl)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 751816790 XVUJUTOQCGNANF-NSHDSACASA-N 444.831 4.400 5 20 IIBD CO[C@@H]1C[C@@H](NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1(C)C 753314181 QLGNXAHUVXLRLF-QZTJIDSGSA-N 431.876 4.044 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N(Cc1cccc(F)c1)C[C@H]1CCCO1 753810174 QDQQSXPJVYYWDD-OAHLLOKOSA-N 437.265 4.318 5 20 IIBD Cc1cc(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cnc1Cl 754335541 MTXJTOKLXKHPJC-UHFFFAOYSA-N 446.872 4.005 5 20 IIBD CC(C)CCn1ncc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1C(C)C 754756041 BOJGOVXYLGHYGH-UHFFFAOYSA-N 429.521 4.050 5 20 IIBD O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)c1cc(F)cc([N+](=O)[O-])c1Br 754988705 PSRSLXLLQIIOFY-SCLBCKFNSA-N 437.265 4.394 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 755985359 YOMGZWVILVMJRV-DENIHFKCSA-N 441.528 4.300 5 20 IIBD C/C(=C\c1ccccc1)CN(C)C(=O)c1cc([N+](=O)[O-])ccc1I 756772832 GTVLUVLMYGGAIV-JLHYYAGUSA-N 436.249 4.375 5 20 IIBD Cc1ccc([C@H](C)NC(=O)c2cnn(-c3ccccc3)c2Br)cc1[N+](=O)[O-] 760357258 LVXVKSBDYJKRQN-ZDUSSCGKSA-N 429.274 4.342 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@@H](c2nc(-c3ccc(OCc4ccccc4)nc3)no2)C1 761813837 ROQPEBFULKHSFP-HXUWFJFHSA-N 443.419 4.485 5 20 IIBD CC1(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)CC2)OCCO1 762251232 AFRBPQPTTSOYIC-UHFFFAOYSA-N 428.510 4.361 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2cc3ccccc3nc2Br)c1[N+](=O)[O-] 762501156 HYSJIFIYWMFDRX-UHFFFAOYSA-N 436.287 4.323 5 20 IIBD CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1cc(F)c([N+](=O)[O-])cc1F 763511494 GADCXJAUESYASS-OAHLLOKOSA-N 447.221 4.084 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCO[C@@H](c3ccccc3)C2)c1=S 764875538 GTYJJFYKHSQJCO-LJQANCHMSA-N 425.514 4.040 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](c2nnc(S)n2C(C)C)C1 765516655 VJBIMANLSOEXDZ-IRXDYDNUSA-N 431.562 4.031 5 20 IIBD COc1ccc(-n2c(Sc3nc4ccccn4c3[N+](=O)[O-])nnc2-c2ccccn2)cc1 765556498 ZNWZMSMKYYXMSD-UHFFFAOYSA-N 445.464 4.045 5 20 IIBD C[C@H](c1ccccn1)N(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(N(C)C)cc1 766589492 YUXGGWULMSTJTG-OAHLLOKOSA-N 434.452 4.193 5 20 IIBD CCn1c(SCc2cc(=O)oc3cc(OC)ccc23)nnc1-c1ccc([N+](=O)[O-])cc1 768412099 LNXHTMHQBPBIAC-UHFFFAOYSA-N 438.465 4.281 5 20 IIBD O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1csc(-c2ncccc2F)n1 768800990 OGQCRWTWGFPUFJ-UHFFFAOYSA-N 426.385 4.264 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)[C@@H](c1ccc(Br)cc1)N1CCCC1 770264364 VDBPHOHTAORQCK-QGZVFWFLSA-N 440.244 4.411 5 20 IIBD CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Oc1cc(F)cc([N+](=O)[O-])c1 771487751 FTDKUBBDTHGLST-GFCCVEGCSA-N 427.475 4.004 5 20 IIBD O=C1CCSc2ccc(C(=O)OCc3ccc(Br)c([N+](=O)[O-])c3)cc2N1 773377731 QPUZQUFJGPDASL-UHFFFAOYSA-N 437.271 4.149 5 20 IIBD C[C@@H](CC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)c1ccc(Cl)cc1 777216158 QVQDJNIPFIFHGI-NSHDSACASA-N 439.251 4.292 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)Nc2c(Cl)cc(F)cc2Cl)cc1[N+](=O)[O-] 777687301 MUCIZEUSQYPMTH-UHFFFAOYSA-N 438.220 4.020 5 20 IIBD O=C(OCc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](C(=O)OCc2ccccc2[N+](=O)[O-])CC1 778210368 QGAUJNQOLSGYNP-WKILWMFISA-N 442.424 4.096 5 20 IIBD Cc1nc(C(C)C)sc1[C@@H](C)OC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 779314877 UUYSPNMBCYFNHX-CYBMUJFWSA-N 433.486 4.476 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](NC[C@H]1CCC=CO1)c1ccccc1 780331956 HQXIQDHLUGNSIX-APWZRJJASA-N 446.301 4.319 5 20 IIBD O=C(NCc1cccc(COCc2ccccc2)c1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781615423 WEMDFPCVNGCWEY-DEOSSOPVSA-N 445.475 4.121 5 20 IIBD COC(=O)Nc1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1F 783085991 BWWSQOCZTLAMHL-UHFFFAOYSA-N 431.298 4.106 5 20 IIBD COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Oc1cc(Cl)ccc1[N+](=O)[O-] 786844158 VMCGOWZUTKTCAU-SNVBAGLBSA-N 436.269 4.083 5 20 IIBD C[C@@H](C(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F 787783729 RKFQMVWGWBULTB-MRXNPFEDSA-N 443.475 4.002 5 20 IIBD CC(=O)Nc1ccc(-c2csc(NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)n2)c(F)c1 790669631 HTSQMPBRDRHNBU-WTKPLQERSA-N 426.429 4.468 5 20 IIBD COc1ccc([C@@H](C)NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cc1 790694984 FJMZTHJXJHEEHW-GFCCVEGCSA-N 434.290 4.195 5 20 IIBD O=C1CC[C@H](C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c2ccccc21 791235041 OHFQMSMQJJGHFQ-HNNXBMFYSA-N 429.270 4.002 5 20 IIBD COc1cc(OC2CC2)ccc1C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 791610763 QYXXJKDGJWHFHF-GFCCVEGCSA-N 425.397 4.113 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCC(Oc2ccc(F)nc2)CC1 792360546 FIEPZWUWRPZPTR-UHFFFAOYSA-N 428.342 4.223 5 20 IIBD COc1c(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cccc1[N+](=O)[O-] 796311522 WYXHPEJZCNEKPB-SECBINFHSA-N 446.765 4.460 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])c(F)c1)c1sc(N2CCOCC2)nc1-c1ccccc1 799564499 RBEGZHCDSHQWEI-UHFFFAOYSA-N 443.456 4.051 5 20 IIBD O=[N+]([O-])c1cc(Cl)c2c(cnn2CN2CCOC[C@H]2c2nc3ccccc3s2)c1 799946807 GKMUJMGSFWHQSK-INIZCTEOSA-N 429.889 4.239 5 20 IIBD C[C@@H](Nc1ccc(C(=O)OCc2ncnn2-c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 801238428 FQOMXRWMTNIJRZ-MRXNPFEDSA-N 444.451 4.101 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCC1(c2ccc(Br)s2)CCC1 803386320 LLQYGSXTBDPGHI-UHFFFAOYSA-N 449.330 4.007 5 20 IIBD C[C@H](Cc1cncc2ccccc12)C(=O)O[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 805682021 NUIDEYNDTDMATN-ZIAGYGMSSA-N 425.416 4.031 5 20 IIBD Cc1c(CNC(=O)Nc2cc(C(F)(F)F)cc(Br)n2)cccc1[N+](=O)[O-] 806802834 ZGZRNMCZDWVLRJ-UHFFFAOYSA-N 433.184 4.401 5 20 IIBD C[C@H](OC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccc(SCC(=O)N(C)C)cc1 809074551 PYORFCIXGFSBQJ-KGLIPLIRSA-N 434.489 4.322 5 20 IIBD COc1ccc([C@@H](O)C2CCN(c3ncc([N+](=O)[O-])c(C)c3Br)CC2)cc1 812481418 ZDXMAUZSSBJEAU-GOSISDBHSA-N 436.306 4.019 5 20 IIBD Cc1cc(C(=O)N(CC2CCOCC2)c2ccc(Br)cn2)ccc1[N+](=O)[O-] 813378279 SRIGRPIGBSTHJZ-UHFFFAOYSA-N 434.290 4.134 5 20 IIBD C[C@H](NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)c1ccc(C(F)(F)F)nc1Cl 817875099 LLNUQBKGCDMZSB-LKFCYVNXSA-N 442.781 4.032 5 20 IIBD C[C@@H](OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)c(Cl)c1 855085377 ITDYVJTUQZOMEM-LLVKDONJSA-N 449.250 4.271 5 20 IIBD C[C@@H](OC(=O)c1cc2ccsc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 914891464 PTSXIJUYTDFWGR-MRVPVSSYSA-N 427.360 4.340 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc([N+](=O)[O-])cc1Cl 915307968 DRVLWERORMKIOQ-UHFFFAOYSA-N 447.757 4.409 5 20 IIBD COc1ccccc1[C@H](CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)NC(=O)OC(C)(C)C 916667202 BOAPOPPBVXGWLF-KRWDZBQOSA-N 444.488 4.299 5 20 IIBD COc1ccc(N(Cc2ccccc2)C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1OC 1115835998 PJRDRXFAZZBWOM-UHFFFAOYSA-N 436.420 4.188 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(-c3nnc(CNC(=O)OC(C)(C)C)o3)cc2[N+](=O)[O-])C1 1117243930 MKFUSCREZXALCQ-OKILXGFUSA-N 431.493 4.152 5 20 IIBD CS[C@H]1CC[C@H](N(C)C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C1 1252197233 GKBIFWVZVNUUQD-JQWIXIFHSA-N 429.329 4.443 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2OCCC[C@@H]2C1 1319354358 GQRLQSIVHXSRJB-XXBNENTESA-N 446.507 4.018 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)NC1(c2ccc(NC(=O)c3ccccn3)cc2)CCC1 1787292544 OEUHIRCQPGJCSK-UHFFFAOYSA-N 444.491 4.370 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccccc4)CCC3)cc2)ncc1[N+](=O)[O-] 1788767071 WQJZAVDAZWLHBH-UHFFFAOYSA-N 430.464 4.360 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3nc[nH]c3[N+](=O)[O-])CCC2)cc1)c1ccc2occc2c1 1789049109 CKTSFIVFGALLHJ-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccccc2)[nH]n1)c1ccc([N+](=O)[O-])o1 1814311712 KLCJJMOOBLNMBF-BQFCYCMXSA-N 449.467 4.021 5 20 IIBD CCCCC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 1829836122 QZVYRYXKENMHOI-PXNSSMCTSA-N 432.565 4.373 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCC([C@H]2CCCCN2C(=O)CC2CCC2)CC1 1832835611 BLKUMEVDDNZIFJ-JOCHJYFZSA-N 445.535 4.086 5 20 IIBD C[C@@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Br)cc1 1931524 VQBSJQVEWWSBGK-SECBINFHSA-N 427.638 4.195 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CSc1cc(Cl)ccc1Cl 11464201 FJKSQUBAXSSIDG-UHFFFAOYSA-N 429.281 4.484 5 20 IIBD Cc1ccc(C)c(C(=O)c2ccccc2C(=O)OCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 11596754 WUHTZSRTLSPWPF-UHFFFAOYSA-N 446.459 4.262 5 20 IIBD C[C@@H](OC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1[N+](=O)[O-] 12259411 HCAYHSYPYMJSKZ-CYBMUJFWSA-N 443.843 4.406 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2c(C)nn(C)c2Cl)c2ccccc2)c([N+](=O)[O-])c1 14364344 XWZIXGLXCCBBJD-GOSISDBHSA-N 442.859 4.135 5 20 IIBD COc1ccc(C(=O)Nc2ccc(Br)cc2Br)cc1[N+](=O)[O-] 15303571 ASYPEQKBIBTGIO-UHFFFAOYSA-N 430.052 4.381 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)cc1[N+](=O)[O-] 15339826 AICFHTAFZKKMDB-MRXNPFEDSA-N 439.493 4.195 5 20 IIBD COc1ccc(S(=O)(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1[N+](=O)[O-] 15362194 BXJZHAPVGHUEQM-SFHVURJKSA-N 436.536 4.063 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(C(=O)NC2CC2)c1 16172923 UELMSQQZVGKERI-UHFFFAOYSA-N 439.415 4.237 5 20 IIBD O=C(COC(=O)c1ccc(Oc2ccc(F)cc2)cc1)Nc1cc([N+](=O)[O-])ccc1F 16577939 MPESNOSXBMZFPU-UHFFFAOYSA-N 428.347 4.461 5 20 IIBD Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1C 24007384 VRFBBTGDNZBVAT-KRWDZBQOSA-N 445.903 4.125 5 20 IIBD COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 26342608 ZAPNPWHYELUMHV-HUUCEWRRSA-N 428.485 4.324 5 20 IIBD CCn1c2ccccc2c2cc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 27008148 KEGPEHVIAGFBCD-UHFFFAOYSA-N 430.464 4.481 5 20 IIBD COc1ccc(C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)cc1[N+](=O)[O-] 29213074 YWCPFFMUROKGDL-UHFFFAOYSA-N 430.258 4.046 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccc(CN2CCCCC2)cc1 64419275 AGWOSBBVBHYQTI-MRXNPFEDSA-N 431.920 4.318 5 20 IIBD C[C@H](Sc1nnc(NCCc2cccs2)s1)C(=O)Nc1cccc([N+](=O)[O-])c1 105342198 SGHYRVWZHOUBAT-NSHDSACASA-N 435.556 4.282 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCCc2cc(OC(F)(F)F)ccc21 106217998 KVNQWCIACKTFNG-UHFFFAOYSA-N 432.358 4.272 5 20 IIBD O=[N+]([O-])c1cc2c(c(CN(CCCO)C(c3ccccc3)c3ccccc3)c1)OCOC2 110932803 QFQQTRWTHAKKKH-UHFFFAOYSA-N 434.492 4.435 5 20 IIBD CN(Cc1nnc(-c2ccc(Br)o2)o1)Cc1cc([N+](=O)[O-])ccc1Cl 217380815 AWGDMIFTGIOGOI-UHFFFAOYSA-N 427.642 4.286 5 20 IIBD COc1ccc([C@H](Nc2ccc([N+](=O)[O-])cc2F)c2cccc(S(C)(=O)=O)c2)cc1 301473712 RGOJJRORZCZNBX-NRFANRHFSA-N 430.457 4.348 5 20 IIBD COc1cc(N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn34)C2)c(F)cc1[N+](=O)[O-] 301920566 FRFDZQFJTRNDPF-NSHDSACASA-N 439.369 4.188 5 20 IIBD COc1ccc(CN(CC2CC2)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 409751935 MVLGAKREFMNHNB-UHFFFAOYSA-N 447.919 4.430 5 20 IIBD CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 409825995 YKSGXWSXZMZLQL-LSDHHAIUSA-N 436.555 4.137 5 20 IIBD CN(C)[C@H]1CCCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 429553838 QKZJJNAEFJCAIP-UWJYYQICSA-N 430.936 4.344 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCCC3CC(OC(C)(C)C)C3)cc2)c(C)c1[N+](=O)[O-] 432288635 GJFUBTZHXGYKJB-UHFFFAOYSA-N 428.533 4.170 5 20 IIBD CCc1c(NC(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)nnn1Cc1ccc(F)cc1 433991614 FGRNCQMCVGILPU-QGZVFWFLSA-N 425.464 4.144 5 20 IIBD CC(C)CCOc1cccc(NC(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 437050574 IXBJXXVUBSAEAU-UHFFFAOYSA-N 425.485 4.149 5 20 IIBD O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)c1ccc([N+](=O)[O-])cc1I 437447326 MVYSHWPWYBEMKH-AULYBMBSSA-N 440.212 4.015 5 20 IIBD COc1cc(C(=O)N2CCS[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1OCc1cscn1 438046061 WICRBNNQJUQCKW-DNVCBOLYSA-N 449.554 4.139 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@@H](C)[C@H](O)Cc3ccccc3)cc2[N+](=O)[O-])n1 438223173 GAQVHDCNSAHTDG-KBXCAEBGSA-N 443.550 4.233 5 20 IIBD CCCOc1cc(NC(=O)c2cc3cnn(CC)c3nc2C)c([N+](=O)[O-])cc1OCCC 440419786 FFOMFVMYXDEZLK-UHFFFAOYSA-N 441.488 4.498 5 20 IIBD C[C@@H](NC(=O)CCc1ccccc1)C(=O)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] 440882565 REJNOVWXQJOKHP-GOSISDBHSA-N 447.491 4.250 5 20 IIBD Cc1[nH]c2ccccc2c(=NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c1C(C)C 441569453 ANEWDYKEKRLQGO-UHFFFAOYSA-N 448.479 4.324 5 20 IIBD CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 442184229 AXIILYBLPRBNKR-INIZCTEOSA-N 448.545 4.173 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCC(Cc2cccnc2)CC1 444293656 TXWHWBOEPAMRRR-UHFFFAOYSA-N 433.458 4.449 5 20 IIBD CC(=O)N1CCN(Cc2cccc(NC(=O)c3cc4ccccc4c4cccnc34)c2)CC1 444411648 HFSCFEBBWVCHRU-UHFFFAOYSA-N 438.531 4.304 5 20 IIBD CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 446308747 ZFJWVRJOPWMBHT-ZDUSSCGKSA-N 449.857 4.210 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@@H]1CCOc2ccc(Br)cc21 446491462 YFOOHXYYKRBSBD-OAHLLOKOSA-N 436.262 4.353 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2F)c(Br)c1 446989834 OBRDBDGFFVNPBZ-UHFFFAOYSA-N 443.172 4.316 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 447638288 XOXNMWGBYYEASJ-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD COc1cc(C(=O)Nc2cc(C3CC3)ccn2)c([N+](=O)[O-])cc1OCc1cscn1 461447360 ICNXIKGGAASGAZ-UHFFFAOYSA-N 426.454 4.164 5 20 IIBD CCc1cc(=NC(=O)CCOc2ccc(CCC(C)=O)cc2)c2cc([N+](=O)[O-])ccc2[nH]1 462620926 VGVVEYJQPXOZTI-UHFFFAOYSA-N 435.480 4.057 5 20 IIBD Cc1nc(C)c(CNc2ccc(S(=O)(=O)NC3CCC(C)CC3)cc2[N+](=O)[O-])s1 462908447 KDSSVBMPLULWFK-UHFFFAOYSA-N 438.575 4.137 5 20 IIBD CS(=O)(=O)c1ccc(NCc2ccc(OCc3ccccc3F)cc2)c([N+](=O)[O-])c1 463739029 RUJAAAYMKKBUKM-UHFFFAOYSA-N 430.457 4.329 5 20 IIBD Cc1ccc(-c2ccnn2C)cc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 466554766 HUJWUJAQOYIDCQ-UHFFFAOYSA-N 434.374 4.497 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1 466994002 WHTJHFXUPFKVLQ-UHFFFAOYSA-N 448.410 4.230 5 20 IIBD C[C@@H](CCN1CCOCC1)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 467724476 OLKUACDEXRWICB-HNNXBMFYSA-N 449.960 4.240 5 20 IIBD CN1C(=O)CC[C@@H](C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@@H]1c1ccc(C(F)(F)F)cc1 470698553 ZCVMZICTPACSIU-AEFFLSMTSA-N 439.365 4.301 5 20 IIBD Cc1nn(CCC(=O)Nc2cc(Cl)ccc2-c2nc(C3CC3)no2)c(C)c1[N+](=O)[O-] 471491624 LJCLMOLFMUDZAQ-UHFFFAOYSA-N 430.852 4.018 5 20 IIBD C[S@](=O)C[C@@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 472102622 USDDHYYDYYNXCS-UKPGIYTDSA-N 437.521 4.057 5 20 IIBD C[C@H](NC(=O)Nc1cc(Br)ccc1-n1cccn1)c1cccc([N+](=O)[O-])c1 472753723 PRTBOSVZIXMRHC-LBPRGKRZSA-N 430.262 4.426 5 20 IIBD CN(C)C(=O)C[C@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])c2ccc(Cl)cc21 474781731 BWFRLRSXGONSLZ-JTQLQIEISA-N 439.697 4.119 5 20 IIBD CCc1cnc(CNc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])o1 476063846 VSHOEESLSHYIGD-UHFFFAOYSA-N 430.486 4.175 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2-c2nc(C3CC3)no2)cc1[N+](=O)[O-] 476425893 DPAUKYFLAOAWQA-UHFFFAOYSA-N 434.861 4.285 5 20 IIBD CSc1nnc(CCCNc2ccc([N+](=O)[O-])cc2Br)n1CC(C)C 478355236 WZBJCQMCLNCRKE-UHFFFAOYSA-N 428.356 4.371 5 20 IIBD COC(=O)C[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(C(F)(F)F)cc1 479356369 XIQHPJLGIGBAOC-SFHVURJKSA-N 449.385 4.058 5 20 IIBD CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 479680440 XOIPBUYJWWYCME-VFNWGFHPSA-N 431.920 4.357 5 20 IIBD CCn1c(S[C@H](C)C(=O)NC[C@H](C)c2ccccc2)nnc1-c1ccc([N+](=O)[O-])cc1 481333541 CECYOYURYDBZKD-JKSUJKDBSA-N 439.541 4.274 5 20 IIBD COc1ccc(Sc2ccc(NC(=O)C(=O)NCc3ccc([N+](=O)[O-])cc3)cc2)cc1 481348560 ARNBIOCFACFEKE-UHFFFAOYSA-N 437.477 4.010 5 20 IIBD CCN([C@@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] 481446771 CFTHVJYRLFXHMF-NRFANRHFSA-N 425.510 4.407 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(Br)s1 481684017 LKBNSLJCQNXCAZ-UHFFFAOYSA-N 431.333 4.087 5 20 IIBD COc1ccc(CNC(=O)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)cc1[N+](=O)[O-] 482389182 QPNLZWFMMMTKRP-HNNXBMFYSA-N 449.332 4.308 5 20 IIBD C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)Cc2ccccc2F)c1 483293667 JSXOOJYXTJHVJN-MRXNPFEDSA-N 435.455 4.335 5 20 IIBD O=C(Nc1ccc(OCc2cccnc2)c(Cl)c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 483814616 IXYYLRDKOPAITF-UHFFFAOYSA-N 427.800 4.203 5 20 IIBD CCc1c(NC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)cnn1-c1ccccc1Cl 485338348 NYCWWPGQOGTDDB-UHFFFAOYSA-N 429.864 4.327 5 20 IIBD COc1cc(CNC(=O)c2cccc(SC)c2[N+](=O)[O-])cc(Br)c1OC 486251942 NGZUVESDENKLCC-UHFFFAOYSA-N 441.303 4.026 5 20 IIBD Cc1ccc(C(=O)N2CCC[C@H](C(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C2)cc1 486740905 WPNWJPNXBGNOIC-KRWDZBQOSA-N 449.429 4.091 5 20 IIBD C[C@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@H](c2cccc(C(F)(F)F)c2)O1 488031373 DGUTWTJLSKSTDJ-IFXJQAMLSA-N 437.418 4.328 5 20 IIBD Cc1ccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1N1CCNC1=O 488710224 MEZVOLWCZJSKHP-UHFFFAOYSA-N 431.452 4.429 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(NC2(Cc3ccccc3Br)CC2)s1 488768610 XISIVYHTYBUGID-UHFFFAOYSA-N 431.333 4.010 5 20 IIBD CCCOc1c(Br)cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1OC 490609010 OQQVUAPODMCBTL-UHFFFAOYSA-N 425.235 4.113 5 20 IIBD Cc1ccc(CNC(=O)C2CCN(C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 493177448 CHXPRPXXXWKHFK-SFHVURJKSA-N 438.528 4.011 5 20 IIBD Cc1ccc([C@H](C)NC(=O)Nc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] 493310553 LYSSKQNTWVPYKN-BZSNNMDCSA-N 426.517 4.395 5 20 IIBD COCCN(Cc1ccc(Br)s1)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 494639745 WMBBAEPLAGSIPA-UHFFFAOYSA-N 444.307 4.108 5 20 IIBD CC(=O)CCc1ccc(O[C@@H](C)C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 498133354 AYFJKXHAOIVWIY-KSFYIVLOSA-N 428.510 4.158 5 20 IIBD Cc1ccc(NC(=O)c2ccccc2)cc1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] 499155151 ARBXQZBKEZHFJW-UHFFFAOYSA-N 439.493 4.140 5 20 IIBD CO[C@@H]1Cc2ccccc2N(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 500269828 PXIRHJGXONPXGG-QFBILLFUSA-N 432.480 4.381 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CC=C(c3cccc4ccccc34)C2)cc1OC 501582457 ILWGXJGVSAVIPB-UHFFFAOYSA-N 448.475 4.321 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccc(CC(=O)N2CCc3ccccc32)cc1 502044024 BLKYYPNDNMJYLW-UHFFFAOYSA-N 447.516 4.457 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 507396623 DYLDDYTZJKBXLN-DLBZAZTESA-N 439.365 4.144 5 20 IIBD O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1ccc([N+](=O)[O-])cc1F 507886270 GSYHTUGRBSIICD-UHFFFAOYSA-N 426.366 4.231 5 20 IIBD C[C@H]1CN(Cc2csc(NC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)n2)C[C@@H](C)O1 509227570 NWPSNIQGIXOVHC-OKILXGFUSA-N 432.546 4.210 5 20 IIBD COc1cc(CCNC(=O)N(Cc2ccccc2)CC(C)(C)C)c([N+](=O)[O-])cc1OC 509416122 MAQOELPUAYCPSY-UHFFFAOYSA-N 429.517 4.412 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 511854435 IATMGAZLWQRQLC-IAGOWNOFSA-N 437.418 4.487 5 20 IIBD Cc1sc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C)nc1-c1ccc(Cl)cc1 511971335 JDSPVGAMSGFQEK-UHFFFAOYSA-N 437.930 4.467 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)N1CCC(n2cncn2)CC1 512296662 WRCRGNDXBZPTJD-UHFFFAOYSA-N 443.916 4.468 5 20 IIBD COc1cccc(CCNC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1OC 515674618 UZDWXMWVXZJNNX-CALCHBBNSA-N 441.528 4.067 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](CN2CCC(C)CC2)C1 519191441 XNKOGSLGDMNEOE-INIZCTEOSA-N 438.366 4.250 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCCc1nc2ccccc2n1C(F)F 523952020 NVHDNGKAFXOGHF-UHFFFAOYSA-N 438.818 4.121 5 20 IIBD COc1cc(C)c([C@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1OC 531266355 PZICNLGYBKTOKT-LBPRGKRZSA-N 437.290 4.103 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 533366667 BSDSKQUUNAUYKX-CQSZACIVSA-N 439.447 4.196 5 20 IIBD Cc1ccc(Cn2cccc(NC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])c2=O)cc1 533600293 UQHHRQAGCRGIQG-UHFFFAOYSA-N 441.871 4.174 5 20 IIBD COc1ccnc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c1 534866447 UXJNOBAEOIHCPI-UHFFFAOYSA-N 429.436 4.032 5 20 IIBD CN1CCc2ccc(NC(=O)C3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)cc21 538347829 WYQXJJHCTJOQAW-UHFFFAOYSA-N 448.445 4.461 5 20 IIBD CCOc1ccc(C(=O)N2CCCCC2)cc1NCc1cc(OC)c(OC)cc1[N+](=O)[O-] 539957051 IXRHXKPLZZUEAQ-UHFFFAOYSA-N 443.500 4.249 5 20 IIBD C[C@@H](c1ccccc1)N1CC[C@@H](Nc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)C1 540284480 GEEUBDPERFVCIF-DOTOQJQBSA-N 439.903 4.042 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1)N(Cc1ccc(F)cc1)CC1CC1 540525984 OFYYOKYDWRTMFT-UHFFFAOYSA-N 427.461 4.056 5 20 IIBD CCOc1cc(NC(=O)N(C)Cc2cc(F)c(F)c(F)c2)c([N+](=O)[O-])cc1OCC 540821698 WFNOICOCPKVUQK-UHFFFAOYSA-N 427.379 4.473 5 20 IIBD COc1ccc(NC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)cc1[N+](=O)[O-] 541067975 FNNISBNFGVAPLV-HOTGVXAUSA-N 441.484 4.024 5 20 IIBD O=C(NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)c1n[nH]c2ccc([N+](=O)[O-])cc12 541461357 MZICFGCYPLQSBJ-UHFFFAOYSA-N 448.310 4.172 5 20 IIBD CCc1ccc([C@@H](NCc2cccc(NS(C)(=O)=O)c2)c2ccc([N+](=O)[O-])cc2)o1 543403615 KGOJKXKWSORBCO-NRFANRHFSA-N 429.498 4.001 5 20 IIBD CN1C(=O)COc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)cc21 543440965 SCHNQVUCNDETMV-UHFFFAOYSA-N 441.509 4.485 5 20 IIBD Cc1ccc(Sc2ccc(-c3nc([C@@H]4CCS(=O)(=O)C4)no3)cc2[N+](=O)[O-])cc1 545702134 RIOFHNVLPAFCNX-CQSZACIVSA-N 431.495 4.007 5 20 IIBD O=C1C[C@@H](c2noc(-c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)n2)CN1CC1CCC1 545798436 QIJYMFZHECLDOK-LJQANCHMSA-N 447.495 4.373 5 20 IIBD CCO[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)[C@]12CCCO2 546054213 RSADRULCMQVERN-KCZVDYSFSA-N 434.558 4.334 5 20 IIBD CC(C)(C(=O)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1)c1ccc([N+](=O)[O-])cc1F 546552161 QZVPXNXCZYORKX-GOSISDBHSA-N 438.402 4.213 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCC[C@@H]2C(F)F)c([N+](=O)[O-])c1 553727862 MFOHSJQCHFAHQI-QGZVFWFLSA-N 425.457 4.044 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(Cn3cnc4ccccc43)c2)c1 555006160 JTTUXSJXJZCKCI-UHFFFAOYSA-N 430.464 4.322 5 20 IIBD Cc1c(NC(=O)[C@H](C)NC2(Cc3ccc(F)cc3Cl)CCOCC2)cccc1[N+](=O)[O-] 555696686 LEZHMGQLRIIYQG-HNNXBMFYSA-N 449.910 4.404 5 20 IIBD CN1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c2ccc(Br)cc21 561201514 ZZQKADQRAQISPM-UHFFFAOYSA-N 445.317 4.054 5 20 IIBD C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)cc1F 564392765 GCASSIMSLHWANW-VIFPVBQESA-N 430.661 4.439 5 20 IIBD C[C@@H](NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccc(Oc2cccnc2)cc1 569753553 YNJWVYUZUBYCBQ-MRXNPFEDSA-N 434.452 4.447 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1cnc(SC2CCCC2)nc1 571588738 LGOGBOZMVDHFKF-CQSZACIVSA-N 432.571 4.259 5 20 IIBD COc1cc(Cc2noc(/C=C(\C)Cc3ccccc3OC)n2)c([N+](=O)[O-])c(OC)c1 582884421 KLJAQQCYWAHIRT-GXDHUFHOSA-N 425.441 4.240 5 20 IIBD CCCOc1cc(NC(=O)c2cnn(-c3ccccn3)c2C)c([N+](=O)[O-])cc1OCCC 603566435 PHQOBULYMPIACY-UHFFFAOYSA-N 439.472 4.314 5 20 IIBD CCCCOc1ccc([C@H](C)NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC 604470432 YQZVUSWGSYRWLP-INIZCTEOSA-N 438.484 4.459 5 20 IIBD O=C(NCc1ccc(F)cc1)c1ccc(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 604533008 PSZSSMAQZBPOMG-UHFFFAOYSA-N 437.427 4.047 5 20 IIBD CCc1[nH]nc(C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)c1[N+](=O)[O-] 608800449 MBMSBNFTZOQYCX-UHFFFAOYSA-N 426.285 4.487 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1c(C)c(C(C)(C)C)nn1-c1ccccc1 609323399 QKKKGYBYAIMIGF-UHFFFAOYSA-N 444.513 4.196 5 20 IIBD O=C(NCC1CCC(c2ccccc2)CC1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 609505325 XHKCOCCTIQFBIG-KVZIAJEVSA-N 441.553 4.351 5 20 IIBD C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609551169 JLTGMCQTZPIFOM-BLVKFPJESA-N 427.844 4.104 5 20 IIBD CC[C@H]1CCCN(C(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 609763376 TXJJFGGNGOZVOF-INIZCTEOSA-N 431.514 4.048 5 20 IIBD CCc1ccc([C@@H]2COCCN2C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)o1 609869156 IIETUPDYTXFXRR-NRFANRHFSA-N 427.501 4.200 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@@H](C)Cc3c(C)noc3C)cc2[N+](=O)[O-])n1 609982339 PUWMTTNJISWBQN-JTQLQIEISA-N 432.527 4.477 5 20 IIBD CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 610119174 OATWDPOOLFKLHA-UHFFFAOYSA-N 439.493 4.014 5 20 IIBD COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)c2ccccc2F)cc1[N+](=O)[O-] 610136014 GIXGEGGJIMSHKX-LJQANCHMSA-N 430.457 4.005 5 20 IIBD O=C(NCc1cccc(OCc2ccccn2)c1)c1ccc(Br)cc1[N+](=O)[O-] 610570577 DNWABXNUEGSGRM-UHFFFAOYSA-N 442.269 4.261 5 20 IIBD C[C@H]1CCCN(c2ccc(C(=O)NC3CCN(c4cccs4)CC3)cc2[N+](=O)[O-])C1 610672526 ZIVXJAZOEFQRTR-INIZCTEOSA-N 428.558 4.291 5 20 IIBD CCc1nnc(CN2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)s1 612059249 RXTWJZOBVXVYFX-UHFFFAOYSA-N 429.571 4.055 5 20 IIBD CC(C)(C)OC(=O)NC1(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCCCC1 725725389 DZIPSXWIPKLKRZ-UHFFFAOYSA-N 446.548 4.152 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)cc1[N+](=O)[O-] 727312941 CTCYELQVVNCUEC-UHFFFAOYSA-N 438.415 4.231 5 20 IIBD O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 728239768 UAFRDHHKAFMKAI-UHFFFAOYSA-N 426.322 4.237 5 20 IIBD C[C@@H](OC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1cccc([N+](=O)[O-])c1 728922453 ZTXGLOWDYCRSMF-MRXNPFEDSA-N 440.477 4.338 5 20 IIBD O=C(c1ccc(I)c([N+](=O)[O-])c1)N1CCCc2cccc(Cl)c21 730490522 JBRQDJJRHWETAV-UHFFFAOYSA-N 442.640 4.446 5 20 IIBD Cc1c(C(=O)Nc2ccc(F)cc2OCC(F)(F)F)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 733759725 YPDLKQXOUHXMMN-UHFFFAOYSA-N 431.298 4.452 5 20 IIBD O=C(/C=C/c1ccc(I)o1)OCc1cc([N+](=O)[O-])ccc1Cl 734780483 UYMAYQAWNVTNFO-ZZXKWVIFSA-N 433.585 4.202 5 20 IIBD Cc1c(NC(=O)[C@H](C)Nc2ccc(N3CCC(CN(C)C)CC3)cc2)cccc1[N+](=O)[O-] 738428849 MGIYCFYCQJMYAD-SFHVURJKSA-N 439.560 4.120 5 20 IIBD Cc1cccc(-n2nc(-c3ccco3)cc2NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 739384483 HAEDPJIXOUBWSL-UHFFFAOYSA-N 442.428 4.289 5 20 IIBD O=C(OCc1cccc(C(=O)N2CCCCC2)c1)c1ccc([N+](=O)[O-])cc1Br 740410684 QUIWJLICOLBPSZ-UHFFFAOYSA-N 447.285 4.340 5 20 IIBD CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 740869060 ZUJSFKBGOHPJAD-QGZVFWFLSA-N 426.803 4.281 5 20 IIBD O=C(OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1cc(Oc2ccccc2)ccn1 745953740 WIASTEYCIKDLIB-KRWDZBQOSA-N 447.447 4.244 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 746250707 MRYCZKRVUYFTMC-CPJSRVTESA-N 444.506 4.409 5 20 IIBD CC[C@@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)Nc1ccc(OC)cc1 747957800 BRIKWHMVNIMLMY-GOSISDBHSA-N 441.465 4.301 5 20 IIBD CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)OC(=O)c1cccc(Cl)c1[N+](=O)[O-] 750536105 VGJWJAGAISXZGT-NSHDSACASA-N 430.800 4.381 5 20 IIBD COC[C@H](C)n1c(SCC(=O)Oc2cc([N+](=O)[O-])ccc2C)nnc1-c1ccccc1 751090167 ZEBZPROBXWFWMF-HNNXBMFYSA-N 442.497 4.067 5 20 IIBD CC(C)[C@H](OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)C(=O)N1CCCC[C@@H]1C 751690221 HLZGKDNYZWNJEF-ZBEGNZNMSA-N 445.285 4.079 5 20 IIBD Cc1cc(C(=O)[C@@H](C)OC(=O)c2c(F)ccc([N+](=O)[O-])c2F)c(C)n1Cc1ccco1 752562249 MEBRUWXZFIVONV-CYBMUJFWSA-N 432.379 4.361 5 20 IIBD O=C(Cc1c[nH]c2cccc(Br)c12)O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 754545939 QCMBLSZEXZJNHS-HZPDHXFCSA-N 447.289 4.305 5 20 IIBD CC(C)[C@@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1ccc(F)cc1 754981314 BZBVBTIZGWVDRK-GOSISDBHSA-N 426.803 4.197 5 20 IIBD CC[C@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@H](c1ccc(C)cc1)n1cncn1 756721181 OHLMZAONHHPOHT-PMACEKPBSA-N 442.907 4.016 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1ccc(Cc2ccncc2)cc1 762596001 SWAFCAAVGRVCIZ-UHFFFAOYSA-N 448.298 4.144 5 20 IIBD CNc1c(C(=O)OCc2csc(N(C(C)=O)c3ccc(C)cc3)n2)cccc1[N+](=O)[O-] 765517028 UEQWLQYSYYENJA-UHFFFAOYSA-N 440.481 4.443 5 20 IIBD CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C(=S)Nc1ccc([N+](=O)[O-])cc1 767412511 SZENKXPDQUWFLZ-UHFFFAOYSA-N 430.530 4.319 5 20 IIBD COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)Cc1ccc(Br)c([N+](=O)[O-])c1 769527077 NSKCCKXZAGRNMH-INIZCTEOSA-N 447.207 4.121 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)OCC(=O)Nc1c(C)nn(-c2ccccc2)c1C 769888879 OSKCHNUVGDKLKH-UHFFFAOYSA-N 436.468 4.118 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)cc1OC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 770213811 LWANTSFKBJZYHA-UHFFFAOYSA-N 426.429 4.206 5 20 IIBD Cc1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c(F)c1 772424484 SZVFGZOWULGQMI-UHFFFAOYSA-N 429.448 4.074 5 20 IIBD CC(C)(C)OC(=O)N1CCc2ncc(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)cc2C1 774022646 OXTBRVDQHRDBEL-UHFFFAOYSA-N 437.456 4.017 5 20 IIBD CN(C)c1ccc(C2CCN(C(=O)c3ccc(Br)c([N+](=O)[O-])c3)CC2)cc1 774086576 VJQKINALJJMWPZ-UHFFFAOYSA-N 432.318 4.443 5 20 IIBD COc1ccc(C(=O)OC2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)cc1C1CC1 774115518 GPHVOAJMCZSSKK-UHFFFAOYSA-N 426.469 4.315 5 20 IIBD O=C(Nc1c(F)cc(Cl)cc1F)c1cc([N+](=O)[O-])ccc1I 775501478 MFIJMUUVCCHVNK-UHFFFAOYSA-N 438.555 4.383 5 20 IIBD O=[N+]([O-])c1ccc([C@H](O)CS(=O)(=O)Cc2ccc(Oc3ccccc3)c(F)c2)cc1 776262515 HQQIBJSUIHXRNU-HXUWFJFHSA-N 431.441 4.175 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2ccoc2C)nn1CCO 776886224 DBNIAPNLVLFCQT-UHFFFAOYSA-N 444.513 4.497 5 20 IIBD COc1cc(COC(=O)c2oc3c(c2C)C(=O)CCC3)c([N+](=O)[O-])cc1OCC(F)F 780059936 PWHJCHVOIRYHIO-UHFFFAOYSA-N 439.367 4.025 5 20 IIBD CC(C)[C@H]1C[C@H](CC(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)CCO1 781563452 KKPPIRZDVPBHEV-VQIMIIECSA-N 430.505 4.223 5 20 IIBD O=[N+]([O-])c1ccc(CCc2nc(-c3ccc(OCc4cccnc4)cc3)no2)c([N+](=O)[O-])c1 781610510 OFMFLTUMJFITTH-UHFFFAOYSA-N 447.407 4.312 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N(Cc1ccc(F)cc1F)C1CCCC1 783399980 XJSBQGVRZJZUCQ-UHFFFAOYSA-N 437.830 4.436 5 20 IIBD Cc1cnc([C@@H](C)OC(=O)c2ccc(C(=O)O[C@H](C)c3ncc(C)o3)c([N+](=O)[O-])c2)o1 785312507 YSOFNVHLNSIPDX-CHWSQXEVSA-N 429.385 4.024 5 20 IIBD CCO[C@H]1C[C@@H](OC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C12CCOCC2 786493176 JAOXJSQKKYVUKV-FCHUYYIVSA-N 441.480 4.305 5 20 IIBD COc1cc(C(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c32)cc([N+](=O)[O-])c1C 790906108 HSPRJYLPFKLSAG-UHFFFAOYSA-N 427.457 4.462 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)cc([N+](=O)[O-])c1C 791689173 OYAGYGUMFCNUMR-KBPBESRZSA-N 426.425 4.081 5 20 IIBD CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)cn1 792296070 SFUNWXRFNIHEOE-FQEVSTJZSA-N 443.891 4.232 5 20 IIBD CN1C(=O)C[C@H](C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)[C@H]1c1ccc(Cl)c(Cl)c1 792525492 OEQDYFDXOKJNQF-HUTHGQBESA-N 444.221 4.338 5 20 IIBD O=C(c1cc(S(=O)(=O)C2CCCC2)ccc1F)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 797467600 QAGRGGRCLKUBER-UHFFFAOYSA-N 446.500 4.255 5 20 IIBD CCOC(=O)Oc1ccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)cc1 799893686 VLIYQDKERUKSCY-UHFFFAOYSA-N 426.347 4.335 5 20 IIBD Cc1c(C(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 807867737 JRKZLNVUFLHYAY-UHFFFAOYSA-N 426.404 4.452 5 20 IIBD CC[C@@H]1[C@H](C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1C(=O)OC(C)(C)C 810589202 DTUOTXOROJFKRK-QZTJIDSGSA-N 445.472 4.329 5 20 IIBD COc1ccc(C2(CNC(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])CCOCC2)cc1 812930149 SSEOWKNLMGOUGR-UHFFFAOYSA-N 439.295 4.388 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H](CO)c1ccc(Br)c(F)c1 814486432 MHICIDRVNNZWBG-CYBMUJFWSA-N 432.633 4.005 5 20 IIBD Cc1ccc(C(=O)N(C)c2ccc(OS(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)cc1 914577472 MJZUGFBREZJNBT-UHFFFAOYSA-N 440.477 4.089 5 20 IIBD CC(C)c1noc2nc(C3CC3)cc(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)c12 915578768 RIJVIDGSUAWANO-UHFFFAOYSA-N 439.424 4.355 5 20 IIBD CCN(C(=O)c1cccc([N+](=O)[O-])c1)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 916506214 FOVSDEBQQJTEOW-UHFFFAOYSA-N 434.408 4.422 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)CCOc1ccccc1F)c1cccc([N+](=O)[O-])c1 918638615 UFMQMRBYUBHFTA-GOSISDBHSA-N 444.459 4.131 5 20 IIBD CC(C)(C)c1ccc(N2CCC(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)CC2)cc1 919863630 OLIKTMDETPQXEM-UHFFFAOYSA-N 425.485 4.020 5 20 IIBD CC(C)[C@@H](OC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1F 920776942 CAEHAOGATSYLSS-KPZWWZAWSA-N 438.839 4.361 5 20 IIBD CCc1ncc(C(=O)O[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)s1 920900395 OOSYLLUJZSXHBD-LJQANCHMSA-N 425.466 4.459 5 20 IIBD COc1cccc([C@H]2CCCN2c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])c1 1317771682 SIKHUWURCWODKV-OAHLLOKOSA-N 430.404 4.238 5 20 IIBD Nc1c(C(=O)N2CCC(=Cc3cccc(F)c3)CC2)cc(Br)cc1[N+](=O)[O-] 1321294553 QWDLICGITVCFKM-UHFFFAOYSA-N 434.265 4.398 5 20 IIBD CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1c1nnc(COc2ccccc2[N+](=O)[O-])o1 1326073750 ZUXNAEKPWMUUKQ-DNVCBOLYSA-N 436.468 4.229 5 20 IIBD CC(=O)N1Cc2ccc(NC(=O)CSc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2C1 1340001242 LKFCJPMGKUKQMD-UHFFFAOYSA-N 439.415 4.207 5 20 IIBD COC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c(F)ccc([N+](=O)[O-])c3C)CCC2)cc1 1786437650 BJLLMXRKLSUFGX-CQSZACIVSA-N 443.475 4.073 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1ccc(C2(NC(=O)c3cccnc3)CCC2)cc1 1791183725 FWELXIRAJXHUGY-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD Cc1ccccc1CCC(=O)Nc1ccc(C2(NC(=O)c3n[nH]cc3[N+](=O)[O-])CCC2)cc1 1791342740 UFRNXPHIIHPSAG-UHFFFAOYSA-N 447.495 4.007 5 20 IIBD C[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C2)c1ccccc1 1801752027 HVBVVUNFELDARL-KQLYMOGASA-N 439.487 4.180 5 20 IIBD C[C@@H]1C[C@@]1(C)C(=O)N1CCC2(CCCN(C(=O)Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 1805485169 SQTSBNSWWNRVAU-OPAMFIHVSA-N 447.963 4.068 5 20 IIBD O=C(CC1CCC1)N1CCC2(CCCN(C(=O)Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 1805488488 YXNKQLCAFZYKLF-UHFFFAOYSA-N 447.963 4.212 5 20 IIBD CC(C)=CCCC(=O)N1CCCC12CN(C(=O)CCCc1cc(C)c(F)cc1[N+](=O)[O-])C2 1845110974 KWSFAMAVJJKOHN-UHFFFAOYSA-N 445.535 4.315 5 20 IIBD O=C(COC(=O)CSCc1cccc(Cl)c1)Nc1cc([N+](=O)[O-])ccc1Cl 10147662 UFILALZKAKLAPW-UHFFFAOYSA-N 429.281 4.317 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc2c(c1)OCCCO2 11761472 GDGRYSCDKLTMFC-UHFFFAOYSA-N 425.363 4.216 5 20 IIBD C[C@@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 17768381 ZORXOHDLTYUMHK-LLVKDONJSA-N 444.904 4.356 5 20 IIBD Cc1cc(C(=O)OCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)ccc1[N+](=O)[O-] 18199112 IMGRITZOZKIQLQ-FQEVSTJZSA-N 428.441 4.166 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(Cl)c1 22559220 OHVXLXCQQCUDFL-CQSZACIVSA-N 431.876 4.341 5 20 IIBD O=C(COC(=O)c1ccc(Br)c([N+](=O)[O-])c1)Nc1ccccc1C(F)(F)F 22622456 LZMYQESYDMFQIT-UHFFFAOYSA-N 447.163 4.172 5 20 IIBD O=C(COc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1)N1CCc2ccccc21 28609959 UHGBLEYKNASCJY-UHFFFAOYSA-N 442.427 4.336 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1cc(F)cc(F)c1 30517401 KQZJAWMIDXXPFV-UHFFFAOYSA-N 449.435 4.295 5 20 IIBD COc1cc(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)ccc1OCc1cccnc1 31712385 ZAMIKKIDEDUGMH-UHFFFAOYSA-N 448.479 4.082 5 20 IIBD COc1ccc(CN(C)C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1OC 36622931 VPCSITVNOBFDHT-UHFFFAOYSA-N 427.501 4.121 5 20 IIBD CCOC(=O)c1c(C2CC2)csc1NC(=O)c1cc(OC)c(OCC)cc1[N+](=O)[O-] 61438430 IILTVOCBGXAOMS-UHFFFAOYSA-N 434.470 4.370 5 20 IIBD O=C(CCn1cc([N+](=O)[O-])cn1)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2 63570191 SZFXPCLJIOAXCK-UHFFFAOYSA-N 436.497 4.304 5 20 IIBD COc1cc(CNCc2cn3c(C)cccc3n2)c([N+](=O)[O-])cc1OCc1ccccc1 237292124 RTCWDZMUNAFKAB-UHFFFAOYSA-N 432.480 4.428 5 20 IIBD C[C@H]1CN(c2ccc(CNCc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)cn2)CCO1 237545498 QABHDBRAWAUPNT-HNNXBMFYSA-N 442.903 4.418 5 20 IIBD Cc1cnc([C@@H](C)CNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])s1 302122489 GVEYEJFGALXNFT-ZDUSSCGKSA-N 432.527 4.376 5 20 IIBD C[C@H]1CN(Cc2ccc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2)C[C@@H](C)O1 410367810 LDBOMFYQFUBTNT-GASCZTMLSA-N 432.908 4.179 5 20 IIBD COC(=O)C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)c(F)c1 433538293 IELZBERBPDUBCF-INIZCTEOSA-N 429.231 4.004 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(=O)N(CC(F)F)C1CC1 435485637 XPSPHQLNJNERAO-UHFFFAOYSA-N 427.454 4.002 5 20 IIBD O=C(NCCCOC1CCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435506822 WZLZAEJHXXXKBS-UHFFFAOYSA-N 449.554 4.212 5 20 IIBD COc1ccccc1[C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCCC1 435833261 DLJLMYIDDQPAOA-DEOSSOPVSA-N 441.531 4.257 5 20 IIBD COc1cc(C(=O)N(C)Cc2ccc(F)c(C)c2)c([N+](=O)[O-])cc1OCc1cscn1 436075034 MJRUITJERNHEKO-UHFFFAOYSA-N 445.472 4.359 5 20 IIBD Cc1c(CC(=O)Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)cccc1[N+](=O)[O-] 438913288 RXDXSNVPDIOPOQ-UHFFFAOYSA-N 429.476 4.216 5 20 IIBD Cc1cc(=NCc2ccc(COC3CCOCC3)cc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 443891112 YEYTUHCHDXHWLV-UHFFFAOYSA-N 434.496 4.090 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1cc2c(cc1Cl)OCCCO2 445682449 LKQBBZYSWQWLFC-UHFFFAOYSA-N 441.665 4.353 5 20 IIBD COc1cc(Cc2noc(-c3cccc(OCc4cccnc4)c3)n2)c([N+](=O)[O-])c(OC)c1 445817384 DOAZJZYHLXQADH-UHFFFAOYSA-N 448.435 4.227 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H](c1ccccc1)c1cccnc1 446172915 ZXJMKOOSTILVGD-HXUWFJFHSA-N 426.270 4.201 5 20 IIBD COC(=O)C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccc(C(F)(F)F)cc1 446483450 BYZMJNGBEKOTOC-MRXNPFEDSA-N 425.363 4.348 5 20 IIBD CCOCc1ccc(CNC(=O)CSc2ccc(Br)cc2[N+](=O)[O-])cc1 447353229 DVCSOVOUIPHFQF-UHFFFAOYSA-N 439.331 4.302 5 20 IIBD Cc1cc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])n(-c2ccccn2)n1 447416850 FAXUSYBEWVVCIL-UHFFFAOYSA-N 429.436 4.315 5 20 IIBD O=C(NC[C@@H]1CCCN(c2ccccc2)C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 447728267 DRWKNOBBTDTLKK-KRWDZBQOSA-N 429.495 4.467 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2CCC(F)(F)F)c2ncccc12 463779226 GIQOFVVWNOOLAZ-UHFFFAOYSA-N 425.388 4.439 5 20 IIBD CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C 463946873 BKCPGVBOBQXKHQ-UHFFFAOYSA-N 427.505 4.006 5 20 IIBD Cc1cc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(C)n1-c1nccs1 464669481 ZOZSBGQNBUEWTI-UHFFFAOYSA-N 426.498 4.142 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CC[C@H](c4c(F)cccc4F)C3)cc2)c(C)c1[N+](=O)[O-] 469377386 QDJQPGPHLICKNH-SFHVURJKSA-N 440.450 4.364 5 20 IIBD CCO[C@H](C)c1nc(CN2CCN(C/C(C)=C\c3cccc([N+](=O)[O-])c3)CC2)cs1 470174714 MTVBZMKMYVVGGK-XUDLPTGHSA-N 430.574 4.370 5 20 IIBD Cc1ccc([C@H]2OCCC[C@H]2NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 470245351 AGAGFKJNCCLHIS-ISKFKSNPSA-N 448.523 4.415 5 20 IIBD CCn1c(SCCn2cc([N+](=O)[O-])cn2)nc2scc(-c3cccs3)c2c1=O 470849898 XBOQXHLLEXNBOS-UHFFFAOYSA-N 433.540 4.103 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccccc1OCc1ccccc1 472569844 JMFTZRWEXGXAEV-OAHLLOKOSA-N 437.427 4.129 5 20 IIBD O=C(NCC1CCN(c2ccccc2)CC1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 473300181 LDIBFTZCODMDTN-UHFFFAOYSA-N 429.495 4.467 5 20 IIBD Cc1ccc(CNC(=O)C2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC2)cc1 473501883 IMXAURNUGLFYPN-UHFFFAOYSA-N 437.521 4.287 5 20 IIBD COc1ccc(-c2nc(SCC(=O)c3ccc([N+](=O)[O-])cc3)n[nH]2)cc1Br 473513784 QGQMZMCEBWVDKJ-UHFFFAOYSA-N 449.286 4.126 5 20 IIBD CC(C)(C)c1cc(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)n(-c2ncccn2)n1 474864977 SLAKQUYTDRWGNV-UHFFFAOYSA-N 437.504 4.012 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(-c2ccc(Cl)cc2Cl)nc1 475280215 ANXOVGJSTVMKJH-UHFFFAOYSA-N 445.262 4.219 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N2C[C@@H](C)Oc3ncccc32)cc1[N+](=O)[O-] 475905851 MQTJATOLHKXXID-CQSZACIVSA-N 449.488 4.370 5 20 IIBD Cc1nc2ccccc2n1C1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 477446982 KWXCGLGFLFDSLT-UHFFFAOYSA-N 447.539 4.333 5 20 IIBD Cn1c([C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])c2ccccc2)nc2ccccc21 478147109 XNURTWZSIQOIRY-QHCPKHFHSA-N 430.464 4.156 5 20 IIBD CCCC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2c([N+](=O)[O-])ccc(C)c2C)c1 479468100 MJNRVDFTOUNOBK-UHFFFAOYSA-N 425.894 4.404 5 20 IIBD O=[N+]([O-])c1ccc(CNCc2ccccc2CN2CCN(c3ccccc3)CC2)c(F)c1 480051194 MRFVNRDUPQTPNP-UHFFFAOYSA-N 434.515 4.346 5 20 IIBD Cc1cc(Oc2ncnc3ccc(I)cc23)c(F)cc1[N+](=O)[O-] 480314185 LJGYATKXYJQYGO-UHFFFAOYSA-N 425.157 4.382 5 20 IIBD O=C(NCc1ccccc1)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 485478396 UWPOXXTWSUTYGP-UHFFFAOYSA-N 441.390 4.379 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCCN(c2nccs2)CC1 485986678 FFLPXDXJRWNJIX-UHFFFAOYSA-N 437.525 4.016 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C 486330992 FPCIWUBMOZEDMZ-UHFFFAOYSA-N 433.390 4.431 5 20 IIBD COc1ccc(-n2nc(C(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)cc2C)cc1 486723506 QMKVABLRVSEFDK-UHFFFAOYSA-N 434.374 4.046 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCC[C@@H]2c2ccc(OC)cc2OC)c(C)c([N+](=O)[O-])c1 486868325 NSSYBFODTSEGPW-GOSISDBHSA-N 443.456 4.076 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)NC(C)C)c(C)c1 487441020 BEYHGIUOXXDEEK-UHFFFAOYSA-N 431.514 4.032 5 20 IIBD Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 487498129 DYKTWEWADWKUFI-UHFFFAOYSA-N 437.200 4.288 5 20 IIBD COc1cccc(Cn2ccc3ccc(NC(=O)CCn4nc(C)c([N+](=O)[O-])c4C)cc32)c1 490344035 MIIFUMIAFMFXOC-UHFFFAOYSA-N 447.495 4.449 5 20 IIBD COc1c(F)cc(S(=O)(=O)N2CC=C(c3c[nH]c4cc(C)ccc34)CC2)cc1[N+](=O)[O-] 491270652 JNAARXNNVMBTMY-UHFFFAOYSA-N 445.472 4.010 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(N[C@@H](C)c2ccc(OC(F)F)cc2)c([N+](=O)[O-])c1 492352816 PKIFDRVNSNQMDI-ZDUSSCGKSA-N 443.472 4.400 5 20 IIBD CS(=O)(=O)c1cccc([C@@H](NCCc2ccccc2[N+](=O)[O-])c2ccc(F)cc2)c1 493276210 HEDZROZJSJXLTF-QFIPXVFZSA-N 428.485 4.059 5 20 IIBD CC(C)[C@@H]1CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)CCCO1 494358708 ANPCMQCQFGNQLX-INIZCTEOSA-N 449.554 4.020 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 494420873 WODSDRSQNROPHH-ROUUACIJSA-N 441.381 4.472 5 20 IIBD CCCCOc1ncccc1CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 495159129 SQWQWNVGKWXMKQ-UHFFFAOYSA-N 426.395 4.187 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2c(Cl)cccc2Cl)cc1OC 498872573 JWQUIQKFZKZQJN-UHFFFAOYSA-N 443.283 4.208 5 20 IIBD CCN(C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)[C@@H](C)c1cccc(C(F)(F)F)c1 499131459 DDYLVQKXGDMESK-LBPRGKRZSA-N 437.374 4.131 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 500685734 PQOWWISPULRRKZ-RTBURBONSA-N 433.464 4.130 5 20 IIBD COc1cc(CNc2ccc(C(=O)NC(C)C)cc2C)c([N+](=O)[O-])cc1OCC(F)F 502598815 YPWKEDRBNGJSNS-UHFFFAOYSA-N 437.443 4.306 5 20 IIBD COc1cc(CN2CCCc3c(NC(C)=O)cccc32)c([N+](=O)[O-])cc1OCC(F)F 505575006 NLMWQGRVWMWEGE-UHFFFAOYSA-N 435.427 4.159 5 20 IIBD COc1cc(CN2CCO[C@H](c3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F 506327691 RCNYDDXIJJCIEL-IBGZPJMESA-N 426.391 4.118 5 20 IIBD CCN(CC(=O)Nc1ccccc1OC)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 507670408 ULRKMMPOTDDJKX-UHFFFAOYSA-N 439.468 4.333 5 20 IIBD Cn1cc(CNC(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)cn1 509763762 DGQYQERYUPVQOA-LICLKQGHSA-N 433.493 4.185 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCc2c(ncn2-c2ccc(F)cc2)C1 510418398 WEHDVPKESJHLAU-AWEZNQCLSA-N 434.431 4.089 5 20 IIBD O=C(NC[C@@H]1CCCSC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 510991745 RHJOBNPLZCCWEZ-LBPRGKRZSA-N 437.568 4.005 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@H](c3ccco3)N3CCCC3)cc2[N+](=O)[O-])C1 512532026 ZUDNUIKZPIZFOB-KGVIQGDOSA-N 440.544 4.237 5 20 IIBD O=C(NCCNc1ccccc1[N+](=O)[O-])NCc1cccc(NC(=O)C2CCCCC2)c1 514011827 UGCYGEJSFQACHN-UHFFFAOYSA-N 439.516 4.025 5 20 IIBD C[C@H]1CCCN(c2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2Cc2ccco2)C1 514490795 LJAHTAJBRMPHJS-HNNXBMFYSA-N 441.513 4.039 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)c1sc(-c2ccccc2)nc1C 514636500 CUCISSXDZAAESY-CYBMUJFWSA-N 438.509 4.405 5 20 IIBD Cc1cccn2cc(COc3ccccc3-c3nc(-c4ccc(N)c([N+](=O)[O-])c4)no3)nc12 515477636 FGVIVTSUWVSCGM-UHFFFAOYSA-N 442.435 4.429 5 20 IIBD COc1cc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2C)c([N+](=O)[O-])cc1OC 515739363 ZGUMLLDQAULRMJ-UHFFFAOYSA-N 435.436 4.425 5 20 IIBD CCc1nc(NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)sc1C 518299167 REASCXHQOFNGMB-UHFFFAOYSA-N 438.509 4.471 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(-c2cn3cccnc3n2)c1 518833747 QZUWCRFJJSAQPK-CYBMUJFWSA-N 437.843 4.364 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)Nc2ccc(N(C)C)cn2)cc1[N+](=O)[O-] 520145720 XOXFPZVANRNWKZ-UHFFFAOYSA-N 436.493 4.261 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 522239947 CDKHXKITCCZBQK-KRWDZBQOSA-N 428.247 4.324 5 20 IIBD CN(Cc1csc(Br)c1)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 522640597 QNRWQDZYSKPLHN-UHFFFAOYSA-N 433.711 4.500 5 20 IIBD COCCCN1CCC(NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 522709758 XXGFSPALYHKQIT-UHFFFAOYSA-N 428.489 4.010 5 20 IIBD CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 523947034 WMMVIMQDFHTCPP-MRXNPFEDSA-N 429.496 4.067 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC1(c2ccc(Br)cc2)CCCCC1 524583125 FRHBWDAMCCSXJA-UHFFFAOYSA-N 449.349 4.271 5 20 IIBD CC(C)(COc1ncccc1Br)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 532993738 SKCHPJSPMKKWPC-UHFFFAOYSA-N 443.685 4.385 5 20 IIBD C[C@H](NC(=O)Nc1cnn(-c2ccccc2Br)c1)c1cccc([N+](=O)[O-])c1 535976804 AIBFXFVMNYGCOT-LBPRGKRZSA-N 430.262 4.426 5 20 IIBD O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 536567903 SRDJSRPXPYPAQV-IIBYNOLFSA-N 432.860 4.108 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)N(C)C)ccc1OC 537426208 BNPUZQIZRNPVSX-UHFFFAOYSA-N 431.514 4.450 5 20 IIBD CN(Cc1ccccc1C(F)(F)F)C(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 537977333 DFRAFTOSVWEIJA-UHFFFAOYSA-N 437.403 4.155 5 20 IIBD CC[C@@]1(C)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Sc3nc[nH]n3)cc2O1 538368499 BUMQLUIIZUPOBM-IBGZPJMESA-N 427.442 4.014 5 20 IIBD CSc1ccc([C@@H](CC(=O)O)NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 539603349 AUJHVMKVJVTVBC-MRXNPFEDSA-N 443.506 4.386 5 20 IIBD CCN(CCC1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1)CC1CC1 540024734 KYOIYDZDOYBIDR-UHFFFAOYSA-N 428.577 4.169 5 20 IIBD CCOc1ccc([C@H](C)Nc2cccc(CS(=O)(=O)N[C@@H](C)CC)c2)cc1[N+](=O)[O-] 540827474 XIVZXGBMFCVMFX-HOTGVXAUSA-N 435.546 4.385 5 20 IIBD C[C@@H](C[S@@](C)=O)NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 541502404 SIGGXFLGJKZBFQ-QUPAAXDPSA-N 446.472 4.262 5 20 IIBD CN(C)C(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)ccn1 541622093 LLJZIGZWXHWALK-UHFFFAOYSA-N 428.514 4.226 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 542042764 OPDBVBUIJBHDFQ-LLVKDONJSA-N 436.312 4.306 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F 546768287 AZLQSZVHNYXBRD-UHFFFAOYSA-N 441.239 4.123 5 20 IIBD COc1cc(Cc2noc(-c3cc(C)n(-c4ccc(F)cc4F)n3)n2)ccc1[N+](=O)[O-] 547189423 FOEXDCYKRLFFKE-UHFFFAOYSA-N 427.367 4.017 5 20 IIBD O=C(NCc1ccncc1OCc1ccccc1)c1sc(Br)cc1[N+](=O)[O-] 552261185 NVOOXPJGAWRYES-UHFFFAOYSA-N 448.298 4.323 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cc(Cl)ccc1I 553063833 RERYGGHWJCJVMT-UHFFFAOYSA-N 444.656 4.168 5 20 IIBD O=[N+]([O-])c1cc2c(N3CCN(Cc4csc(-c5ccccc5)n4)CC3)ncnc2s1 553251005 XMJYNFJYPCSAPS-UHFFFAOYSA-N 438.538 4.045 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])N1CCc2cc(Br)cc(F)c2C1 553409487 BISVAQWYKGQKHM-UHFFFAOYSA-N 425.279 4.173 5 20 IIBD Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1 554671183 NNNZWSKPGLPLLZ-VQTJNVASSA-N 443.931 4.010 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CN[C@H](c2ccccc2)[C@H]2CCCO2)c1 554969519 NUDCHOBYWFRJCM-QZTJIDSGSA-N 438.265 4.209 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])N1CCC2(CCN(Cc3ccccc3)CC2)C1 558300612 MEHUDKQKVXHKSP-UHFFFAOYSA-N 425.554 4.202 5 20 IIBD CCc1nc2cc(CNc3cc(CN4CCOCC4)ccc3[N+](=O)[O-])ccc2n1C1CC1 558786206 HNZRKGDLKSSLDP-UHFFFAOYSA-N 435.528 4.286 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)cc1SC 561343764 CXBWRPWUAUFQNN-LJQANCHMSA-N 447.557 4.145 5 20 IIBD COC(=O)c1cc(F)c(Br)cc1NC(=O)c1cccc(SC)c1[N+](=O)[O-] 561825008 NFOBBAKBOZOUFD-UHFFFAOYSA-N 443.250 4.257 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N1[C@H]2CC[C@H]1CC(N(C)C(=O)c1ccccc1)C2 562109785 ITCNVRNELUGMRU-OALUTQOASA-N 436.512 4.457 5 20 IIBD O=C(Cc1noc(CCOc2ccc(Cl)cc2[N+](=O)[O-])n1)Nc1ccc(Cl)cc1 565738194 QMGNKWPNGKPFNP-UHFFFAOYSA-N 437.239 4.087 5 20 IIBD O=C1NC2(CCCC2)C(=O)N1c1cccc(CNc2ccc([N+](=O)[O-])c3cnccc23)c1 568338965 MTUBSVSWHKEKFY-UHFFFAOYSA-N 431.452 4.124 5 20 IIBD CCCn1c(SCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)nnc1-c1cccc(C)c1 597874460 NNCWVYKSMCUCAT-UHFFFAOYSA-N 437.525 4.253 5 20 IIBD Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)N3CCc4ccc([N+](=O)[O-])cc43)n12 597941711 XPZHIFJCXOCUSW-UHFFFAOYSA-N 447.520 4.397 5 20 IIBD O=C(Nc1cccc(-c2nn[nH]n2)c1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 602247443 UKOZMSXCPRICRZ-UHFFFAOYSA-N 449.858 4.293 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1=Cc2cc(Br)ccc2OC1 603638162 GIYKMRVQTXGAML-UHFFFAOYSA-N 441.184 4.373 5 20 IIBD CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)c2csc([N+](=O)[O-])c2)nc1C 603752038 FPCMDQMMZPYGPZ-UHFFFAOYSA-N 431.495 4.445 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cccc(N3CCNC3=O)c2)cc1 603759769 KXESOGRZMVNHGQ-UHFFFAOYSA-N 448.435 4.178 5 20 IIBD O=C(c1cc(F)ccc1F)C1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 603906177 VPXHQIINJOHLLB-UHFFFAOYSA-N 429.423 4.182 5 20 IIBD O=C(NCc1ccccc1-c1ccc(Cl)cc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 608850637 JZTHOIHEVCSADU-UHFFFAOYSA-N 433.855 4.426 5 20 IIBD Cc1c(C(=O)N(Cc2c(F)cccc2F)C2CCCC2)nnn1-c1cccc([N+](=O)[O-])c1 609175608 OJXRFWLIGMIQAP-UHFFFAOYSA-N 441.438 4.347 5 20 IIBD CS(=O)(=O)c1cc(C(=O)Nc2cccc(Sc3ccccc3)c2)cc([N+](=O)[O-])c1 609375304 SOBXILRXCLCTFZ-UHFFFAOYSA-N 428.491 4.402 5 20 IIBD CC(C)CCSc1ccc(C(=O)N[C@H](C)c2nnnn2-c2ccccc2)cc1[N+](=O)[O-] 609657633 NFBFMGXCLDSBIS-OAHLLOKOSA-N 440.529 4.200 5 20 IIBD COc1ccc(C(=O)C2CCN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 609729453 BJJGGAFSJJXNDO-UHFFFAOYSA-N 446.887 4.147 5 20 IIBD Cc1cc(OCc2ccccc2)ccc1NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 609755509 LKXRXGOMEKBPAA-UHFFFAOYSA-N 440.477 4.138 5 20 IIBD Cn1c(=O)n(CCC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c2ccccc21 609761315 AZXLEBHJKFCBMC-UHFFFAOYSA-N 432.436 4.069 5 20 IIBD CCOC(=O)c1ccnc(Nc2ccc(F)c(NC(=O)c3ccoc3C)c2)c1[N+](=O)[O-] 609963897 GXLZAVQQEBQAKP-UHFFFAOYSA-N 428.376 4.203 5 20 IIBD CCN(CC)[C@@H](CNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1)c1ccccc1Cl 610168633 LSEKQRPWULSCTO-SFHVURJKSA-N 435.908 4.078 5 20 IIBD O=c1c2snc(-c3ccccc3)c2ncn1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 611166827 YSQHDIZTOGSXJZ-UHFFFAOYSA-N 431.433 4.132 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 611206399 KINIPMZRQVTQAU-VXGBXAGGSA-N 446.369 4.146 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N1CCC[C@@H](C[C@H]2CCOC2)C1 611339219 TZWRUYIGWAUATM-ZWKOTPCHSA-N 445.541 4.039 5 20 IIBD O=C(NC[C@@H](CO)c1ccc(Cl)cc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 673369428 HHGHVDKYDPGCCK-ZDUSSCGKSA-N 442.849 4.119 5 20 IIBD CCCN(Cc1ccc(C)cc1)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Br 725983967 ASSGFQCIASYDBN-UHFFFAOYSA-N 449.301 4.261 5 20 IIBD CCOc1ccc(-c2nc(COC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)cs2)cc1 727305805 URPJHUDNNANHBE-UHFFFAOYSA-N 442.449 4.245 5 20 IIBD CCCCCc1nnc(NC(=O)c2ccc(I)c([N+](=O)[O-])c2)s1 727747715 NWMOVPOHAQGVHI-UHFFFAOYSA-N 446.270 4.036 5 20 IIBD COc1ccc(C(=O)Oc2ccccc2C(=O)NCCCc2ccccc2)cc1[N+](=O)[O-] 729918846 KICUGKIBNXMPQN-UHFFFAOYSA-N 434.448 4.185 5 20 IIBD O=C(CCSc1ccc(F)cc1)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730705421 WSOPTLSWLCQMFA-MRXNPFEDSA-N 432.473 4.064 5 20 IIBD O=C(NCC1(Sc2ccccc2)CCCC1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 731765869 HJOFUUPRUQKSSR-UHFFFAOYSA-N 433.917 4.408 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O[C@@H]1CCN(c2ccccc2Cl)C1=O 732332821 RGPGBCWTSXJTOS-PIGZYNQJSA-N 439.251 4.018 5 20 IIBD CCN1C(=O)N[C@H](c2csc(-c3cccc([N+](=O)[O-])c3)n2)C(C(=O)OC(C)C)=C1C 733120571 DBZMEBOYIXGBDW-QGZVFWFLSA-N 430.486 4.030 5 20 IIBD O=C(OCc1csc(C2CCCC2)n1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 733556594 IUIGZWLFFKDCNW-AWEZNQCLSA-N 435.527 4.118 5 20 IIBD O=C(OCC(=O)C1CCCCC1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 736864353 RBGRIZJOTHWVKA-UHFFFAOYSA-N 426.256 4.394 5 20 IIBD Cc1c(Cl)cccc1OCC(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 736904811 FAVQBXXWGQKAMU-NSHDSACASA-N 427.240 4.159 5 20 IIBD COC(=O)Nc1ccc(CCNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1 737607669 KEQCVCCERSNSNH-UHFFFAOYSA-N 434.452 4.489 5 20 IIBD COc1ccc(NC(=O)COC(=O)C[C@H](C)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 738746019 WRGOIHSPYCOJHW-LBPRGKRZSA-N 440.374 4.298 5 20 IIBD O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 742484820 CSSPIZYYIHRKPV-NRFANRHFSA-N 436.556 4.227 5 20 IIBD COc1ccccc1C(=O)Nc1ccc(OC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1 743607292 IWNYAVPJVRIQTH-UHFFFAOYSA-N 445.431 4.416 5 20 IIBD CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1cc([N+](=O)[O-])ccc1Br 744380907 COAFTMPPGIHBHM-UHFFFAOYSA-N 447.333 4.131 5 20 IIBD CC[C@H]1c2ccsc2CCN1C(=O)COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 745565568 SHMGNNJJKSTUTF-AWEZNQCLSA-N 442.415 4.368 5 20 IIBD CCCCCCNC(=O)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 746826332 MULMZMQECGEFNQ-AWEZNQCLSA-N 429.439 4.162 5 20 IIBD C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 746898921 OGASMLUZDVWWOO-SMDDNHRTSA-N 431.411 4.131 5 20 IIBD C[C@H](OC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 747519932 HYLGVLXTAWUAGW-GLQYFDAESA-N 433.258 4.031 5 20 IIBD CC(C)(C)OC(=O)Nc1ccccc1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 748334182 PWFCGWXHBBLZKR-UHFFFAOYSA-N 430.413 4.165 5 20 IIBD Cc1c(C(=O)Oc2ccc(N(C)C(=O)C(C)(C)C)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748606786 OYIHGQNIRMMEQL-UHFFFAOYSA-N 429.429 4.348 5 20 IIBD Cc1c(C(=O)NCc2cccnc2Oc2cccc(F)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748622498 ZWVXAQXNIZDFRL-UHFFFAOYSA-N 440.387 4.376 5 20 IIBD COc1cc(CN2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F 749493388 VZKQUQGRWFFFLR-TZMCWYRMSA-N 445.463 4.082 5 20 IIBD CC(C)(C)OC(=O)NCCc1ccc(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1 749945637 HELODRVEYLMYJP-UHFFFAOYSA-N 433.892 4.245 5 20 IIBD CC(C)[C@H](OC(=O)c1cccc(Cl)c1[N+](=O)[O-])C(=O)N[C@@H]1CCOc2ccccc21 750536100 PFNJRDVSADQCAC-APWZRJJASA-N 432.860 4.070 5 20 IIBD COc1cc(N)c([N+](=O)[O-])cc1C(=O)OCc1coc(-c2ccc(C(F)(F)F)cc2)n1 753449494 VHKCGXHCTFXBPJ-UHFFFAOYSA-N 437.330 4.216 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)Nc1ccccc1OC(F)F 754987162 LESXWCSFJFHNMY-MRVPVSSYSA-N 432.738 4.173 5 20 IIBD CC(C)[C@@H](OC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)N1CCc2sccc2C1 754989329 PSGDCDCFSBISDS-QGZVFWFLSA-N 440.880 4.215 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1ccc(Oc2ccccc2)cc1 757277185 SNBOJUWHRKIQGI-UHFFFAOYSA-N 425.828 4.295 5 20 IIBD Cc1cccc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1F 761287626 KYKVXBNPUZDAFI-GFCCVEGCSA-N 429.429 4.350 5 20 IIBD O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1c[nH]c2cccc([N+](=O)[O-])c12 762942145 HEWJFPDYNWRQGV-UHFFFAOYSA-N 449.492 4.289 5 20 IIBD CNc1c(C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cccc1[N+](=O)[O-] 765523685 ZGXBHNNHPVFGLM-UHFFFAOYSA-N 432.647 4.392 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)Nc1ncc(Cl)cc1Cl 766230190 DWNDFLCZTIZYDL-SECBINFHSA-N 435.223 4.029 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)O[C@H]2CCc3sc(Cl)cc32)ccc1[N+](=O)[O-] 766540298 OUAJDCPBNMEJII-HOTGVXAUSA-N 434.901 4.453 5 20 IIBD C[C@H](OC(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 766777819 AOOINTOTHHXOPR-UWJYBYFXSA-N 442.777 4.339 5 20 IIBD CC(=O)Nc1ccc(Cl)c(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 768098771 VKYFYGPULYJUFT-SECBINFHSA-N 440.239 4.044 5 20 IIBD O=C(O[C@@H]1Cc2ccccc2C1=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 769968547 YGXMHICOOAEWMR-LJQANCHMSA-N 448.397 4.181 5 20 IIBD Cc1cc(C(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)c(N)c([N+](=O)[O-])c1 770272152 UKCUFTXQFJXXEW-UHFFFAOYSA-N 429.305 4.268 5 20 IIBD O=C(COC(=O)[C@@H]1CCCc2sccc21)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 771411133 AADCUDAWEVICQK-GFCCVEGCSA-N 428.388 4.277 5 20 IIBD Cc1ccc([C@H](O)CNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)cc1 772721835 DLQNGNZKPNENOL-QGZVFWFLSA-N 429.523 4.283 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](NC[C@@H]1COC2(CCCC2)O1)c1ccccc1 773211708 SABIYMAPBSMQEI-YLJYHZDGSA-N 445.903 4.203 5 20 IIBD O=[N+]([O-])c1cc(CN2CCC(O)(c3ccccc3Cl)CC2)ccc1Br 775120419 LGUYJTHWJBLHMJ-UHFFFAOYSA-N 425.710 4.494 5 20 IIBD O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 776775224 QVQPNWNIQUQWHW-ZDXQCDESSA-N 430.508 4.434 5 20 IIBD C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781252463 LWBXYJHVNHHOLB-ORAYPTAESA-N 433.848 4.078 5 20 IIBD C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781256019 JGEHSSQQASJORV-ZDUSSCGKSA-N 448.425 4.094 5 20 IIBD O=C(CCN(Cc1ccccc1)C[C@@H](O)c1ccsc1)Nc1cc([N+](=O)[O-])ccc1F 782509827 DDHHSDLHXKFAKM-OAQYLSRUSA-N 443.500 4.360 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCOC2=O)cc1 783554321 YOECBIGXUVXRRZ-UHFFFAOYSA-N 429.498 4.374 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCCCC[C@H]1C[C@@H](O)c1ccccc1 785222744 SHOFGICQZKNWLK-OXJNMPFZSA-N 445.903 4.082 5 20 IIBD O=C(OCCn1cc([N+](=O)[O-])ccc1=O)[C@@H](Sc1cc(F)ccc1F)c1ccccc1 785878888 NGSQQJWZUCKECG-FQEVSTJZSA-N 446.431 4.112 5 20 IIBD COc1ccc(CN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@H]2CCCC[C@H]2C)cc1OC 787213773 CTIAJZBWZROERR-QRWLVFNGSA-N 427.501 4.415 5 20 IIBD C[C@H](OC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])C(=O)NCc1cccs1 787249075 XFZAWFKJTXAGAA-HNNXBMFYSA-N 440.477 4.097 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 795095877 CAILJXCJZGGVON-UWWQBHOKSA-N 443.504 4.037 5 20 IIBD COc1cc(COC(=O)c2cc(C3CC3)cnc2Cl)c([N+](=O)[O-])cc1OC(F)F 796173966 XJIGIHLINWSSKC-UHFFFAOYSA-N 428.775 4.488 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)OCC(=O)Nc1c(C)cccc1[N+](=O)[O-] 796174392 XYTRCOKOMNFHAP-UHFFFAOYSA-N 443.456 4.354 5 20 IIBD Cc1cn(-c2ccc(Cl)cc2)nc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 799130040 XTGWMMUDPUIRFA-UHFFFAOYSA-N 427.269 4.197 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 799329601 GGNMIFILZUCTPP-QZTJIDSGSA-N 442.440 4.017 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 800596503 APVGCVZOPACDCE-HXUWFJFHSA-N 425.391 4.026 5 20 IIBD O=C(Nc1cccc2c1COC2=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 808475524 PWJXDYLVTONVQL-UHFFFAOYSA-N 433.207 4.010 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cc(Cl)ncc1Br 811388918 AXNNAGYCXPLBAQ-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C(=O)Nc1cccc2ccccc12 814482689 IIBMFBKEPMHCOC-ZDUSSCGKSA-N 425.416 4.137 5 20 IIBD CSc1cccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)c1[N+](=O)[O-] 816846556 CZKMWVBHIHDPFO-CQSZACIVSA-N 435.546 4.369 5 20 IIBD CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NCc1ccc(Cl)cc1[N+](=O)[O-] 864002883 VFPCLMDLBAPOCR-UHFFFAOYSA-N 440.953 4.323 5 20 IIBD CCc1[nH]nc(-c2nc(-c3cc(Br)cc(Br)c3)no2)c1[N+](=O)[O-] 904915976 PGJXNVHBCJUIIW-UHFFFAOYSA-N 443.055 4.122 5 20 IIBD O=c1ccc2cc(S(=O)(=O)Oc3ccc([N+](=O)[O-])cc3Cc3ccccc3)ccc2o1 906482073 DRCJHHKQXNLXDE-UHFFFAOYSA-N 437.429 4.060 5 20 IIBD COc1ccc(CSc2nnc(COc3ccc(C(C)(C)C)cc3)n2N)cc1[N+](=O)[O-] 915791266 CHQQSPHKPBYQIO-UHFFFAOYSA-N 443.529 4.078 5 20 IIBD C[C@@H](COc1ccc(C(C)(C)C)cc1)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 918477432 GIFWZTXAUKVKBH-ZDUSSCGKSA-N 433.892 4.068 5 20 IIBD COc1ccc([C@H]2CCCCCN2C(=O)COC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 918859745 JPBYZFZMGPMMNA-OAQYLSRUSA-N 426.469 4.213 5 20 IIBD C[C@H](OC(=O)c1ccc(-c2ccccc2)nc1O)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 919297979 NGPDAOGMYXAKAN-ZDUSSCGKSA-N 432.392 4.330 5 20 IIBD Cc1ccc([C@H](NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2F)c2cccs2)cc1 919569139 BDOYTCPTDCFTTK-FQEVSTJZSA-N 428.441 4.166 5 20 IIBD O=C1CN(Cc2ccc(OCc3ccccc3)cc2)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)N1 920405815 HIMMDBHNSVBGJL-HSZRJFAPSA-N 437.883 4.458 5 20 IIBD C[C@H](OC(=O)c1ccc(N)cc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 920540085 HVFXGAUGKNEEFH-QMMMGPOBSA-N 431.754 4.033 5 20 IIBD COc1cccc(N2CCC(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)c1 1318204306 UEDQJIXWGHFURF-UHFFFAOYSA-N 438.509 4.126 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC1CCN(c2cccc(F)c2)CC1 1318636503 HSHWBIANKZIQKD-UHFFFAOYSA-N 429.495 4.079 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@H](c2nc3ccccc3[nH]2)C1 1322374454 NAJDCYMSZNJZIF-LBPRGKRZSA-N 429.274 4.253 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 1324313235 VETITUIXQLINPC-IAGOWNOFSA-N 446.548 4.136 5 20 IIBD Cc1cc(C(=O)OCC(=O)N2CCc3cc(-c4csc(C)n4)ccc32)cc([N+](=O)[O-])c1 1324343655 HSINIUVRDXOHBC-UHFFFAOYSA-N 437.477 4.081 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)NC1(c2ccc(NC(=O)c3ccccc3O)cc2)CCC1 1787194041 UVOMIMQBTPKKIP-ZRDIBKRKSA-N 447.447 4.355 5 20 IIBD Cc1nocc1C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])CCC2)cc1 1787464775 QGLOAINDTGJQPV-KPKJPENVSA-N 446.463 4.352 5 20 IIBD CC(C)c1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])o4)CCC3)cc2)no1 1787543637 VNUSIKWNLVKEBD-UHFFFAOYSA-N 438.440 4.361 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccco4)CCC3)cc2)ncc1[N+](=O)[O-] 1788765031 OADJAZRDYKDKNC-UHFFFAOYSA-N 448.479 4.272 5 20 IIBD Cc1ncccc1C(=O)NC1(c2ccc(NC(=O)c3cccc(F)c3[N+](=O)[O-])cc2)CCC1 1790698513 XEGYGJDLUGZYFI-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD CC(=O)C[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(F)c3[N+](=O)[O-])CCC2)cc1 1791541090 PYDRDUJYBNVVJW-CQSZACIVSA-N 441.459 4.097 5 20 IIBD COc1ccc([C@@H]2CCCN2C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(OC)c1 11549013 IAXQCAIUMNMHDL-IBGZPJMESA-N 425.485 4.190 5 20 IIBD O=C(Nc1ccc(Oc2ccc3nnc(C(F)(F)F)n3n2)cc1)c1cccc([N+](=O)[O-])c1 14210147 HJHYPVNRUJOUCR-UHFFFAOYSA-N 444.329 4.096 5 20 IIBD COc1cc(CCNC(=S)Nc2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OC 16946355 ISDROVRHUJQHHO-UHFFFAOYSA-N 430.313 4.448 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)C2(c3ccc(F)cc3)CCCC2)c([N+](=O)[O-])c1 17054606 MXIMANWMHODGKC-CQSZACIVSA-N 430.432 4.125 5 20 IIBD Cc1nn(Cc2ccc(C(=O)OCC(=O)c3ccc(Cl)cc3)cc2)c(C)c1[N+](=O)[O-] 17157732 STEXZRMJCCAOMM-UHFFFAOYSA-N 427.844 4.150 5 20 IIBD O=C(OCc1nnc(-c2ccc(Br)s2)o1)c1ccc(Cl)cc1[N+](=O)[O-] 18189131 TVOWJZRQBXCDPJ-UHFFFAOYSA-N 444.650 4.479 5 20 IIBD O=C(COc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1)NC(C1CC1)C1CC1 21564625 PAMRCVDADIVKGA-UHFFFAOYSA-N 434.448 4.052 5 20 IIBD CCOC(=O)c1cc(CC)sc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 22921935 AWSZJFNYTCBSJQ-UHFFFAOYSA-N 427.276 4.410 5 20 IIBD COC(=O)c1cc(C(=O)O[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)cc([N+](=O)[O-])c1 23514862 PZLBNYJAWKUFSG-OAQYLSRUSA-N 448.431 4.227 5 20 IIBD CSCc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 23558261 IEGHLUYCCVKJBC-UHFFFAOYSA-N 439.459 4.439 5 20 IIBD CC(=O)Nc1ccc2nc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)sc2c1 25038990 NKGLBOYQDOPJRL-UHFFFAOYSA-N 439.497 4.018 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccccc1C(=O)N[C@H](C)c1ccccc1 25716083 SZDNDFYFKFHYTH-QGZVFWFLSA-N 432.480 4.445 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Br)cc1Br 61196902 MFLQPAIXJLLSAA-UHFFFAOYSA-N 430.052 4.381 5 20 IIBD O=C(NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1cc2ccccc2c2cccnc12 62289999 JLIDTMJQGWFIGY-HSZRJFAPSA-N 425.488 4.436 5 20 IIBD O=C(CN[C@@H](C(=O)Nc1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] 63512460 OMJWVGNOCWTEFA-OAQYLSRUSA-N 438.871 4.156 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl 69231166 OQHJZKVQXLITRB-UWVGGRQHSA-N 428.247 4.036 5 20 IIBD C[C@H]1CN(c2ccc([N+](=O)[O-])c3cnccc23)CCN1c1ccc([N+](=O)[O-])c2cnccc12 97571152 IDOYOAHUPZPOJF-HNNXBMFYSA-N 444.451 4.315 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 109918157 COTOXIPMKIITJX-CQSZACIVSA-N 445.522 4.257 5 20 IIBD C[C@@H]1CN(c2ccc(CNCc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)cn2)CCO1 110468618 BNNOIKXRSNLPTO-OAHLLOKOSA-N 442.903 4.418 5 20 IIBD COC(=O)c1cc(C(=O)Nc2cc(F)ccc2NC(=O)OC(C)(C)C)cc([N+](=O)[O-])c1 110834440 IFVQZFVUMYIHHU-UHFFFAOYSA-N 433.392 4.120 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccnn1Cc1ccc(Br)cc1 205699397 XLHWDTIQILSJMP-YHYXMXQVSA-N 427.258 4.254 5 20 IIBD CS(=O)(=O)c1ccc(NCc2cccc(NC(=O)c3cccc(F)c3)c2)c([N+](=O)[O-])c1 301072501 HLCOGOYREJCXRL-UHFFFAOYSA-N 443.456 4.002 5 20 IIBD O=c1c(Cl)c(N[C@@H]2CCCN(c3cccc(F)c3)C2)cnn1-c1ccc([N+](=O)[O-])cc1 301327145 ZTESXIMAULKZHA-OAHLLOKOSA-N 443.866 4.014 5 20 IIBD Cc1cc(N2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)c(Cl)cc1[N+](=O)[O-] 301435466 JIDSXPCAPUNZMD-ZDUSSCGKSA-N 443.887 4.375 5 20 IIBD O=C(NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc([N+](=O)[O-])cc1F 303326401 ITPRSCGZWCUTDQ-UHFFFAOYSA-N 426.275 4.435 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)cc1[N+](=O)[O-])c1ccccn1 303514973 UELZKCGUWSMIKC-RTBURBONSA-N 447.539 4.413 5 20 IIBD O=C(Nc1ccc(OC(F)F)c(Cl)c1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303538682 YAISWCYTLHIBAN-NSHDSACASA-N 445.831 4.154 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3nc(C(F)(F)F)cs3)cc2[N+](=O)[O-])C1 303921061 VTZXPHUMWDSKPA-TXEJJXNPSA-N 442.463 4.482 5 20 IIBD CCCn1nccc1C1CCN(C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)CC1 410288534 QUMSTBZTXPBQSR-SFHVURJKSA-N 439.560 4.457 5 20 IIBD O=C(NC1CC1)c1ccc(N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c([N+](=O)[O-])c1 428693417 ZGJBSTZMDLQQDI-SFHVURJKSA-N 425.876 4.358 5 20 IIBD O=C(NC[C@@H]1CCC(F)(F)C1)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 430325117 RLAKHLHUZIPSNM-LLVKDONJSA-N 441.481 4.298 5 20 IIBD COc1cc(F)c([C@H](C)NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1OC 431434658 NVGHYUMGBFJWJI-VIFPVBQESA-N 427.226 4.005 5 20 IIBD C[C@H](CNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)CC(=O)O 431816284 VDPRBLAADYFVMP-LUYJPIOASA-N 439.493 4.362 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CC3(CCC3)[C@H]2c2ccccc2)c(Br)c1 432258043 JGTXFAPZSOUEHM-QGZVFWFLSA-N 437.315 4.273 5 20 IIBD O=C(Nc1ccc(Sc2ccncc2)cc1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 435913667 KAYCTFPCTGUUIR-UHFFFAOYSA-N 448.460 4.047 5 20 IIBD O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437149744 UPXMVONYERUEFP-ZDUSSCGKSA-N 427.448 4.317 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1CCOC[C@]12CCOC2 441486414 JIQCOTQBXLUXRJ-HXUWFJFHSA-N 434.901 4.031 5 20 IIBD C[C@H](CC(=O)c1cccs1)NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444241101 RGAPNZYFVLFWQH-LLVKDONJSA-N 426.444 4.412 5 20 IIBD Cc1cc(=O)c(C(=O)Nc2ccc(OC(C)C)cc2Cl)nn1-c1ccccc1[N+](=O)[O-] 444513492 UOFXYANOYCZODS-UHFFFAOYSA-N 442.859 4.142 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 444923061 FOESTHNJTKVFAO-UHFFFAOYSA-N 440.422 4.218 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 445156039 GYZDQXMSWZPZDA-RDJZCZTQSA-N 426.256 4.032 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc([C@H](C)Sc3ccc(NC(C)=O)cc3)n2)c1 445575094 PMYPPLAQICUNNR-LBPRGKRZSA-N 428.470 4.389 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 446079375 JKLYEORNCQVXHZ-UHFFFAOYSA-N 446.301 4.157 5 20 IIBD C[C@@H]1CCCN(c2ccc(C(=O)N(CC(F)(F)F)[C@@H]3CCCOC3)cc2[N+](=O)[O-])C1 446205443 IUNDNLGGDWCUFQ-GDBMZVCRSA-N 429.439 4.015 5 20 IIBD COc1cc(CNCc2nc3ccc([N+](=O)[O-])cc3[nH]2)ccc1OCc1ccc(F)cc1 446856529 OVOKSDOZEMEERP-UHFFFAOYSA-N 436.443 4.488 5 20 IIBD Cc1sc(NC(=O)Cc2cccc(N3CCCC3=O)c2)nc1-c1cccc([N+](=O)[O-])c1 447389893 BPUMGMBRMNIWDH-UHFFFAOYSA-N 436.493 4.335 5 20 IIBD CCc1ccc([C@@H](Nc2cnn(Cc3nnc4n3CCCC4)c2)c2ccc([N+](=O)[O-])cc2)o1 447574181 UUOSUIOPIQXMIF-QHCPKHFHSA-N 447.499 4.124 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1 460599534 RVQRMKLFAAJONJ-OAHLLOKOSA-N 432.318 4.185 5 20 IIBD Cc1occc1C(=O)Nc1cc(NC(=O)NCCc2ccccc2[N+](=O)[O-])ccc1F 466156544 DAAJYEGJDMQMMQ-UHFFFAOYSA-N 426.404 4.252 5 20 IIBD Cc1ccc(CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(OC[C@H]2CCCO2)c1 466550085 BUHOXZDNEBOCEQ-FXAWDEMLSA-N 427.501 4.330 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1[N+](=O)[O-])c1ccccn1 469387172 XMEUKFJQZWCUAX-HOIFWPIMSA-N 434.500 4.083 5 20 IIBD CCC[C@H]1CCc2ccccc2N1C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O 471257979 HULSFRKHEOESFV-SFHVURJKSA-N 432.480 4.211 5 20 IIBD Cc1ccc(F)cc1-c1nnc(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)s1 473413326 KAUKKMKCBXGCED-UHFFFAOYSA-N 425.401 4.067 5 20 IIBD COc1cc(C(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)cc([N+](=O)[O-])c1C 479078704 PTYFLGOTSMGRSG-UHFFFAOYSA-N 436.386 4.064 5 20 IIBD O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 479246569 FCCXJZRVBGVJDH-GOSISDBHSA-N 448.248 4.191 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(CN(C)Cc2cscn2)c1 479290931 UPWAYFFLNZEISO-UHFFFAOYSA-N 446.554 4.047 5 20 IIBD CSc1ccc(C(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)cc1[N+](=O)[O-] 480408687 GMMUPMWEAUCVKO-WBVHZDCISA-N 427.309 4.354 5 20 IIBD NC(=O)CN(Cc1ccccc1)c1cccc(Nc2ccc3ncccc3c2[N+](=O)[O-])c1 480461294 PTSBNDIBCYWNRH-UHFFFAOYSA-N 427.464 4.379 5 20 IIBD O=C(N[C@@H]1CCN2CCCC[C@H]12)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 481388984 ZDZHRYPZFQEYFR-WOJBJXKFSA-N 428.920 4.217 5 20 IIBD COc1cc(CNCc2nc3cccc(Cl)c3n2C)c([N+](=O)[O-])cc1OCC(F)F 482532239 KXYLYBLGVATWAD-UHFFFAOYSA-N 440.834 4.077 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cccc(CN[C@@H](C)c3ccc([N+](=O)[O-])cc3)c2)cc1 483146703 YUTSABMCNPDWTJ-INIZCTEOSA-N 441.509 4.255 5 20 IIBD COc1cccc(N2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3SCC(C)C)C2)c1 484947416 VCPBDESTVFXVOO-MRXNPFEDSA-N 429.542 4.360 5 20 IIBD O=[N+]([O-])c1ccc(NCc2ccc(CN3CCC(O)CC3)cc2)nc1-c1ccc(F)cc1 485417010 LNTQAJFKWQMMIT-UHFFFAOYSA-N 436.487 4.365 5 20 IIBD CN(C)[C@@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1cccs1 486383994 XRTAKKYLLBAVBL-FQEVSTJZSA-N 425.510 4.268 5 20 IIBD O=C(Nc1ccccc1NC(=O)c1cccs1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 486977684 QCQOLHSRGYXJCS-UHFFFAOYSA-N 433.449 4.347 5 20 IIBD CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1cc([N+](=O)[O-])ccc1SCCOC 487756579 IVHRLKZGHCIDKU-UHFFFAOYSA-N 445.541 4.051 5 20 IIBD C[C@@H]1CN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C[C@H](c2cccc(C(F)(F)F)c2)O1 488713625 MLCSKAUXOHHXGV-ZUOKHONESA-N 449.429 4.472 5 20 IIBD C[C@@H](Sc1nnc(Cc2ccccc2F)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 488862134 UNYXUJMEKCJHTF-SNVBAGLBSA-N 436.852 4.480 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCc1ccccc1Br 489453433 RYJCYQOSRHKBBV-UHFFFAOYSA-N 435.321 4.276 5 20 IIBD COc1c(S(=O)(=O)N(C(C)C)C2CCCC2)cc(Br)c(C)c1[N+](=O)[O-] 493233324 DIULWCULHVFAPA-UHFFFAOYSA-N 435.340 4.016 5 20 IIBD COc1cc(C)c([C@@H](C)NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1OC 494672336 YXIGKYHRVOAAHX-GFCCVEGCSA-N 441.406 4.500 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N(CCCO)Cc1cccc(Cl)c1 498465715 ATUMMSAXTWKRBC-UHFFFAOYSA-N 426.300 4.038 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2nc(-c3ccncc3)cs2)cc1OC 498472223 KFYRJNWITOGHDC-LBPRGKRZSA-N 428.470 4.012 5 20 IIBD O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 501606470 NTAZGQQRDFKWHD-SFHVURJKSA-N 442.472 4.146 5 20 IIBD COc1ccc(N(C)C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c(OC)c1 505109493 VENWJAMBHVHNNE-OAHLLOKOSA-N 436.468 4.457 5 20 IIBD Cc1c(Cl)cccc1NC(=O)CCNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 505296911 CHNFHUARZIWJKR-LBPRGKRZSA-N 440.283 4.122 5 20 IIBD O=[N+]([O-])c1ccccc1N1CCN(Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 505603402 PNWWQVQFDDNEMW-UHFFFAOYSA-N 440.507 4.165 5 20 IIBD Cc1nn(C)c(C)c1CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 505988716 XMFSUGJPOCIKMS-HXUWFJFHSA-N 427.892 4.068 5 20 IIBD COc1c(C(=O)Nc2c(-c3ccc(Br)cc3)ncn2C)cccc1[N+](=O)[O-] 508363654 OKWQPVGGNJAQQY-UHFFFAOYSA-N 431.246 4.019 5 20 IIBD COc1cc(C(=O)Nc2ccc3ncccc3c2)c([N+](=O)[O-])cc1OCc1cscn1 509914474 LVZWNCCUNPEXLE-UHFFFAOYSA-N 436.449 4.439 5 20 IIBD C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(F)ccc1N1CCN(C)CC1 510073328 RXOYJFSRWMPYCA-ZDUSSCGKSA-N 435.887 4.022 5 20 IIBD O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cc2cccc([N+](=O)[O-])c2[nH]1 512040833 OBPGFIQGCVHPAT-UHFFFAOYSA-N 433.493 4.343 5 20 IIBD C[C@H](NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccc(Oc2ccccc2)cc1 513571749 KNGVSCOVEDYGEB-HNNXBMFYSA-N 440.477 4.282 5 20 IIBD CCOC(=O)c1cc2cc(NCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)ccc2s1 513788223 NFVSCFLRULIFIY-UHFFFAOYSA-N 429.454 4.045 5 20 IIBD CC(C)(C)C[C@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccc(F)cc1 515416724 XTMWFOOKWQWPSA-IBGZPJMESA-N 429.496 4.138 5 20 IIBD CCOc1cc(NC(=O)c2cnc3onc(C(C)(C)C)c3c2)c([N+](=O)[O-])cc1OCC 516447331 JRTRGYLQSPDHOG-UHFFFAOYSA-N 428.445 4.478 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccccc1COCc1ccccc1)c1cccc([N+](=O)[O-])c1 518135452 JCQSQWIAALNQAP-QGZVFWFLSA-N 433.464 4.128 5 20 IIBD COCc1ccc([C@H]2CCCN2Cc2cc(I)cc([N+](=O)[O-])c2)o1 520896587 QHVKBWZYCHTMKD-MRXNPFEDSA-N 442.253 4.276 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 521735880 BZGWBUMQQOVVFQ-UHFFFAOYSA-N 439.365 4.244 5 20 IIBD CCOc1cc(CN[C@@H]2CCC[C@@H](C)[C@H]2C)ccc1OCCn1c([N+](=O)[O-])cnc1C 521805086 SWGKGYBSFBNYLE-MBOZVWFJSA-N 430.549 4.492 5 20 IIBD Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cc1 523141555 VUWVGGHTRNZPCM-XDHUDOTRSA-N 446.507 4.371 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@@H]2CCOc3c(-c4ccccc4)cccc32)cccc1[N+](=O)[O-] 523230167 QHQFZQOFTVXJKL-HXUWFJFHSA-N 431.448 4.149 5 20 IIBD O=C(c1ccccc1C(F)(F)F)N1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 523842331 WTUQHFUBLUOFBA-UHFFFAOYSA-N 427.810 4.225 5 20 IIBD COc1cccc(NC2CCN(Cc3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])CC2)c1 525308980 QIIUEASNNINWDK-UHFFFAOYSA-N 437.443 4.290 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2ccccc2NC(C)=O)cc1 525599151 BWULYRWAPDANTK-UHFFFAOYSA-N 435.436 4.284 5 20 IIBD COC(=O)[C@H](NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)C1CCCCC1 531516671 RQAKVDVAFXHUCY-YCRPNKLZSA-N 440.500 4.015 5 20 IIBD C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 533056943 KLHLXXOAQQKMTF-WFASDCNBSA-N 448.405 4.306 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccnc(-c3ccccc3)c2)c(Br)c1 535618957 YRNITNVZQULQTN-UHFFFAOYSA-N 434.271 4.220 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 537586232 JGZCCNQFRDLYRE-OAHLLOKOSA-N 425.514 4.158 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 539552667 RKFHKRHOKMSONP-VLIAUNLRSA-N 449.866 4.333 5 20 IIBD CC(=O)N[C@H](CC(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1)c1cccs1 540449916 IQIJAAIZMZYNOX-CQSZACIVSA-N 430.511 4.010 5 20 IIBD CNC(=O)c1cc(Oc2cccc(Oc3ncnc4cccc([N+](=O)[O-])c34)c2C)ccn1 541577766 AVQKVOINNLXHMA-UHFFFAOYSA-N 431.408 4.186 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CCC(Cn2ccnn2)CC1 541599030 MCSRSHONFFRKDQ-UHFFFAOYSA-N 429.546 4.021 5 20 IIBD Cc1c([N+](=O)[O-])cnc(NCCC2CCN(CC(F)(F)F)CC2)c1Br 543435123 GVHOONLMRVZDMD-UHFFFAOYSA-N 425.249 4.137 5 20 IIBD CC[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[C@H](c1ccc(C)cc1)n1cncn1 545831484 BVHACEAYHZOYBE-RTWAWAEBSA-N 439.491 4.096 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccccc3C[S@@](C)=O)cc2[N+](=O)[O-])C1 546523295 IUVOAMTZQHCBGH-OXVFITQMSA-N 429.542 4.208 5 20 IIBD COc1ccc(CSCc2nc(-c3cccc(OCC(F)F)n3)no2)cc1[N+](=O)[O-] 546555642 NMSHNXRTBWUWND-UHFFFAOYSA-N 438.412 4.126 5 20 IIBD Cn1ccnc1[C@H](NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccc([N+](=O)[O-])cc1 552040711 QYKGJKNIOLJEGK-FCHUYYIVSA-N 439.947 4.498 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCC(c4noc(C(C)C)n4)CC3)cc2[N+](=O)[O-])CC1 552956306 QITQWCRILOQSBY-UHFFFAOYSA-N 441.532 4.357 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(-c2ccc(F)cc2Cl)n1 553106856 ZWSMCMRWKLXCLY-HNNXBMFYSA-N 446.870 4.320 5 20 IIBD COc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)c(OCCOC(C)C)c1 554816695 QOGBOCYHCHTSDN-UHFFFAOYSA-N 427.457 4.356 5 20 IIBD O=C1NC(=O)c2cc(NCc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)ccc21 556337575 WQWPXSVBJILBTH-UHFFFAOYSA-N 442.225 4.113 5 20 IIBD Cn1ccnc1[C@@H](Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1ccc([N+](=O)[O-])cc1 556890548 RKANEWQCPYCSDW-QHCPKHFHSA-N 431.496 4.219 5 20 IIBD O=[N+]([O-])c1cc2c(Sc3nnc(-c4ccncc4)n3-c3ccccc3)ncnc2s1 557475132 AEWNXNCGUJXIJH-UHFFFAOYSA-N 433.478 4.393 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)cc1OC 558687069 BOMCVUKGPLBJCG-DZGCQCFKSA-N 435.274 4.051 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCc3sc(Cl)cc32)c(C(F)(F)F)c1 561396449 MDJOICWPNUKBRP-JTQLQIEISA-N 426.825 4.294 5 20 IIBD COCCOc1ccc(Cc2noc(-c3cc(Br)cc([N+](=O)[O-])c3)n2)cc1 568574189 HDHVWDFBRCLDFR-UHFFFAOYSA-N 434.246 4.023 5 20 IIBD CC(C)Cn1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1C1CC1 568909128 RPZIDRKPUAUXJJ-UHFFFAOYSA-N 432.424 4.144 5 20 IIBD CCc1nc(CN(C)c2ccc([N+](=O)[O-])c(N(C)Cc3csc(CC)n3)n2)cs1 568949296 UIDBQCXAPPWDNE-UHFFFAOYSA-N 432.575 4.300 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)CC[C@@H]2c2ccccc2)cc1OC 569049673 ZWPJPQZECXHNFC-QFBILLFUSA-N 428.485 4.242 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3cnc(-c4ccccc4)nc3)n2)c(Br)c1 569066839 NJMPSVHFUJDVKP-UHFFFAOYSA-N 438.241 4.455 5 20 IIBD O=[N+]([O-])c1ccc(-n2cc(-c3nc(Cc4ccc(Br)s4)no3)cn2)cc1 571035409 NBPGOZZHNDZQGY-UHFFFAOYSA-N 432.259 4.245 5 20 IIBD O=C(Nc1cccc(Cl)c1OCC(F)F)N1CCOc2ccc([N+](=O)[O-])cc2C1 571694362 IRCYTOMTHYBFSX-UHFFFAOYSA-N 427.791 4.319 5 20 IIBD CN(CCc1nc(-c2ccccc2)no1)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] 572187825 JTHGPHQLMPTZTB-UHFFFAOYSA-N 443.332 4.373 5 20 IIBD Cn1cnnc1Sc1ccccc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 572755561 BEVZCPDIQCMDDN-UHFFFAOYSA-N 435.918 4.259 5 20 IIBD CSc1ccc(-c2noc(-c3ccc(N4C(=O)CCC4=O)c([N+](=O)[O-])c3)n2)c(Cl)c1 577540559 CDOSCHXRWVOXCW-UHFFFAOYSA-N 444.856 4.341 5 20 IIBD COc1ccccc1SCc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1C 579764884 OGBKTZDSBQIQAV-UHFFFAOYSA-N 425.514 4.193 5 20 IIBD NC(=O)c1ccnc(N[C@H](c2ccccc2)c2ccc(Br)cc2F)c1[N+](=O)[O-] 583745861 WDHWGKVCXRMMOI-MRXNPFEDSA-N 445.248 4.192 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 585699681 BLRGZFCXXFAQIA-UWVGGRQHSA-N 449.145 4.479 5 20 IIBD O=C(c1ccc(F)cc1F)N1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 588801574 KGPXYNYIZOPKHX-UHFFFAOYSA-N 431.442 4.264 5 20 IIBD CC[C@@H](c1cccc(OC)c1)N(C)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 588901561 JHDVDIVBLUMHGT-HNNXBMFYSA-N 443.319 4.138 5 20 IIBD O=C(NCC1(c2ccccc2)CCOCC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 603740123 SYNSHUDNQHPKMU-UHFFFAOYSA-N 438.402 4.014 5 20 IIBD COc1ccc(NC(=O)c2ccc(NC(=O)CCOc3ccccc3[N+](=O)[O-])cc2)cc1 603944904 CHVXPXQQNGRGPP-UHFFFAOYSA-N 435.436 4.263 5 20 IIBD COc1ccc(S(=O)(=O)N[C@H](c2ccc(Cl)cc2)c2cccs2)c([N+](=O)[O-])c1 604037234 KVNGHIRLIPZPFY-GOSISDBHSA-N 438.914 4.386 5 20 IIBD CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] 604520385 KVGREUBRHMYQMA-WMZHIEFXSA-N 434.496 4.163 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@H](C)c2ccccc2OC(C)C)ccc1[N+](=O)[O-] 608804722 XPJHRCXODGMXCK-DYESRHJHSA-N 439.512 4.172 5 20 IIBD O=C([C@H]1CCCN(Cc2ccccc2)C1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 608870596 KHCQVYADMPOMKQ-IBGZPJMESA-N 435.446 4.398 5 20 IIBD CC(C)N[C@H]1CCCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 609135882 YOBZOGFXQTUQEJ-SFHVURJKSA-N 430.936 4.463 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OCCN3CCCC3)c(C)c2)cc1OC 609887024 CDVHBQGMACOGLJ-UHFFFAOYSA-N 443.500 4.037 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1Br)Nc1ccc(Br)cc1 609962164 YVZPVKHVZOPAHR-UHFFFAOYSA-N 430.052 4.137 5 20 IIBD C[C@@H](C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1ccc([N+](=O)[O-])cc1F 612473079 FBGPKDBJSYGRGO-TZMCWYRMSA-N 425.382 4.251 5 20 IIBD COc1cc(CC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)cc(OC)c1OC 619729326 IYDAPTNAEKMXJC-UHFFFAOYSA-N 443.481 4.234 5 20 IIBD COc1ccccc1C(=O)Nc1ccc(OC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1 727705036 FDVWWDNVKSRGGI-UHFFFAOYSA-N 428.347 4.353 5 20 IIBD O=C(N[C@@H]1CCSc2ccccc21)c1ccc(I)c([N+](=O)[O-])c1 727748914 PAWWXTBPUFMJIT-CYBMUJFWSA-N 440.262 4.166 5 20 IIBD O=C(Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-])[C@H]1CCCN1C(=O)OCC(F)(F)F 727957892 VDEVHFPCADEVDU-OAHLLOKOSA-N 438.358 4.331 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2C)cc1SC 728655164 CIYBLPZWUVQLBD-NSHDSACASA-N 438.889 4.471 5 20 IIBD COc1cc(CN2CCC([C@H](O)c3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1OC(F)F 731036336 BWWOKVKSRPGQAN-HXUWFJFHSA-N 440.418 4.290 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)OCc1cc([N+](=O)[O-])ccc1Cl 734974916 FOOYSOGFWCCLTP-GOSISDBHSA-N 436.917 4.152 5 20 IIBD COc1ccc([C@H]2[C@@H](C(=O)Oc3cc([N+](=O)[O-])c(Cl)cc3C)CCC(=O)N2C)cc1 735644458 ORYUWIRKLFNBQG-YWZLYKJASA-N 432.860 4.080 5 20 IIBD COc1cc(N2CCC(OC(=O)CSCc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] 739368123 BJRPUHPMBFLEMO-UHFFFAOYSA-N 434.489 4.188 5 20 IIBD COc1cc(/C=C2/N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)c(SC)cc1OC 741169226 DRYKRXQHMMFIEX-AWNIVKPZSA-N 434.857 4.332 5 20 IIBD CCS(=O)(=O)C[C@H](C)NC(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34 742255504 WXWHUOSONYJUDT-INIZCTEOSA-N 435.545 4.486 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCc2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 742564746 SEUSZFPVGWGKPA-UHFFFAOYSA-N 435.392 4.133 5 20 IIBD COc1ccc(OC(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c([N+](=O)[O-])c1 744034375 HIJJDZRJJLTOET-AUUYWEPGSA-N 430.457 4.411 5 20 IIBD COCc1nc2ccccc2c(C)c1C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 744543426 DTRQGIJFSZEJKS-HNNXBMFYSA-N 437.452 4.090 5 20 IIBD Cc1cc(C(=O)COC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc(C)c1F 744588492 XJQPCBTZXPBMJT-UHFFFAOYSA-N 439.443 4.252 5 20 IIBD CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 746887319 IMTMRXIKQRPKMG-UHFFFAOYSA-N 433.427 4.237 5 20 IIBD C[C@H](OC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C(=O)N(C)C 748579269 MDSRYNQOWNPLOL-AOHITCTBSA-N 439.493 4.155 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(OC(=O)CC[C@H](C)c2ccccc2)c([N+](=O)[O-])c1 750316063 OUIMXWSBEOQNRE-INIZCTEOSA-N 434.514 4.115 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC([C@@H](O)c2ccc(F)cc2)CC1 752426248 OMJACDDKWCOYBZ-FQEVSTJZSA-N 438.908 4.452 5 20 IIBD C[C@H](OC(=O)c1ccc(Cl)cc1Br)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 761283466 MALAVUKFFCIDMS-QMMMGPOBSA-N 445.628 4.334 5 20 IIBD C[C@H](C(=O)N1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 761647519 OVOLEWCIWAXRGI-OXJNMPFZSA-N 431.533 4.336 5 20 IIBD O=C1Nc2ccccc2O[C@H]1Cc1nc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)no1 761858746 ORKUDHHNQKGJRK-FQEVSTJZSA-N 444.403 4.379 5 20 IIBD Cc1ccc(CC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c(Cl)c1 761990263 UPTRTNAZOHPHKF-UHFFFAOYSA-N 430.766 4.300 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc2ccccc2nc1Br 762502277 NMHZWXFIQPAUEF-UHFFFAOYSA-N 436.287 4.269 5 20 IIBD CCOC(=O)[C@@H](c1ccc(Cl)cc1)N(CC)C(=O)c1cc(F)c([N+](=O)[O-])cc1F 763391858 CWWXDOLCUAGDGQ-QGZVFWFLSA-N 426.803 4.293 5 20 IIBD O=C(NC[C@H](O)c1ccsc1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 764327515 ZJNYXDDYYXJBMT-IBGZPJMESA-N 431.901 4.385 5 20 IIBD C[C@@H](c1ccccn1)N(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(N(C)C)cc1 766588222 UVLYTKHQAHYBMH-HNNXBMFYSA-N 435.440 4.372 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2c(Cl)cc(F)cc2Br)cc1F 767241661 NBKOENJZSKHSGV-UHFFFAOYSA-N 428.594 4.057 5 20 IIBD CCS[C@H](C)c1noc(COC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)n1 767273023 HLZDQVDJFBAZSY-CQSZACIVSA-N 445.501 4.011 5 20 IIBD CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)N2Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 769632525 YJGOSYJRNGXLLC-ZNXRZULTSA-N 443.504 4.055 5 20 IIBD Cc1ccc(-c2noc(CCC(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)n2)cc1F 770317041 HVQSOTULFHKVTM-UHFFFAOYSA-N 449.236 4.426 5 20 IIBD COc1cc(Cc2noc(-c3ccn(-c4ccccc4Cl)n3)n2)c([N+](=O)[O-])c(OC)c1 771747430 KTNRLZRUNQVLKS-UHFFFAOYSA-N 441.831 4.092 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)Nc2ccc(F)cc2Cl)CC1 772468865 VKBWSJGUKBTJCY-UHFFFAOYSA-N 449.866 4.419 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N(C)[C@@H](C)C2CCCCC2)cc1[N+](=O)[O-] 774016345 DKWWVBYUHNTKTC-LBPRGKRZSA-N 426.311 4.031 5 20 IIBD C[C@H](CNC(=O)OC(C)(C)C)CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] 774670099 JWGGJNQAHOYISB-VIFPVBQESA-N 428.358 4.217 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 775976884 BKIDCSSJMZRKDE-NRFANRHFSA-N 434.448 4.208 5 20 IIBD O=C(O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1cccc(Nc2ncccn2)c1 776132361 DHWFIOCIMOMBCR-NRFANRHFSA-N 427.420 4.470 5 20 IIBD O=C(OCc1ncc(-c2cccc(Cl)c2)o1)c1cccc([N+](=O)[O-])c1N1CCOCC1 776319207 JRHHIKYGOBUYBY-UHFFFAOYSA-N 443.843 4.097 5 20 IIBD C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F 777123131 NVQUXFUNZSNOEU-SGTLLEGYSA-N 445.825 4.005 5 20 IIBD COc1ccc(-n2c(C)nnc2SCC(=O)O[C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 778738431 GWUJLEHJVUSGOI-CQSZACIVSA-N 442.497 4.197 5 20 IIBD COc1cc(COC(=O)c2csc(-c3ccoc3)n2)c([N+](=O)[O-])cc1OCC(F)F 780062987 KALQEPUTFCYBFT-UHFFFAOYSA-N 440.380 4.321 5 20 IIBD Cc1cc(COC(=O)CSc2nnc(-c3cccs3)n2C2CC2)ccc1[N+](=O)[O-] 781173512 VEKCMMDANRYTRD-UHFFFAOYSA-N 430.511 4.394 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCCCOc1ccc(Cl)cc1Cl 781613420 AXNXKOPITQVZHX-UHFFFAOYSA-N 442.255 4.328 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ncc(Cc2ccccc2F)s1 781618141 GNFMXLVRWJAQCV-UHFFFAOYSA-N 430.417 4.261 5 20 IIBD O=C(Nc1ccccc1NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)c1cccs1 781637696 CBDNMVIBLRZPOA-SFHVURJKSA-N 436.449 4.040 5 20 IIBD CC(C)(C)OC(=O)NCCOc1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 784125691 LLEGPBZNXBJINW-UHFFFAOYSA-N 435.864 4.404 5 20 IIBD CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)OC(=O)Cc1ccc([N+](=O)[O-])cc1Cl 785938110 ZQSBJNJNQOMMML-LBPRGKRZSA-N 444.827 4.310 5 20 IIBD CC(C)(C)OC(=O)NCc1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc(C(F)(F)F)c1 787680675 DCWXFYYWBIAFLN-UHFFFAOYSA-N 428.367 4.219 5 20 IIBD O=[N+]([O-])c1cccc([C@H](O)CN[C@@H](Cc2ccccn2)c2ccc(Br)cc2)c1 789446999 NRYOGVPODFJFFP-LEWJYISDSA-N 442.313 4.359 5 20 IIBD CCn1c(COc2ccc(C)cc2)nn(CN(C)CCc2ccccc2[N+](=O)[O-])c1=S 795644879 PYCPTCCDUWJZMV-UHFFFAOYSA-N 441.557 4.362 5 20 IIBD CC(C)c1[nH]nc(C(=O)O[C@@H](c2ccccc2)c2nc(-c3ccccc3)no2)c1[N+](=O)[O-] 796252277 BWCGEJNNPHVXNM-IBGZPJMESA-N 433.424 4.438 5 20 IIBD C[C@@H](NC(=O)COC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 796440042 SARZVQCRUHRWTQ-CYBMUJFWSA-N 449.301 4.056 5 20 IIBD CN(CC(=O)Nc1c(F)cccc1NC1CC1)c1cc(Br)ccc1[N+](=O)[O-] 796870816 RLKPLXDVHXWZJU-UHFFFAOYSA-N 437.269 4.146 5 20 IIBD Cc1c(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 797575689 GIQZRDWYLNBIFP-DZGCQCFKSA-N 434.246 4.168 5 20 IIBD C[C@]1(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCN(Cc2ccccc2)C1 798529833 XQJDCJCLBKBOCV-MUUNZHRXSA-N 439.559 4.183 5 20 IIBD O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H](c1c[nH]c2ccccc12)C(Cl)(Cl)Cl 799856040 SUYYBMIMEYXLAB-HNNXBMFYSA-N 448.715 4.466 5 20 IIBD Cc1cc(Cl)nc(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 800063172 DJZWWAJRFATQMU-CQSZACIVSA-N 425.876 4.450 5 20 IIBD CC[C@@](O)(C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(Cl)c1 800320272 VPGFJBYUZQOLPS-WLRWDXFRSA-N 441.267 4.070 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1 801951348 DUVIAHWHHQWQHF-INIZCTEOSA-N 429.395 4.265 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 806121824 XMDDWWCXUZGPFF-OAHLLOKOSA-N 435.868 4.284 5 20 IIBD O=C(Cn1cc(Cl)cn1)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 808554486 ALEXQWGDICNHOM-GOSISDBHSA-N 449.250 4.021 5 20 IIBD O=C(CN[C@@H](c1ccccc1)[C@H](O)c1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] 808788673 QEAROTGNEGSVSM-FCHUYYIVSA-N 425.872 4.251 5 20 IIBD O=[N+]([O-])c1ccc(CCc2nc(-c3c(Cl)nc4cc(Cl)ccn34)no2)c([N+](=O)[O-])c1 809528270 NRSPRLWZGUVJBP-UHFFFAOYSA-N 449.210 4.293 5 20 IIBD COc1ccccc1[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 809818570 LUYBLEMNELKODC-LLVKDONJSA-N 431.297 4.088 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)CC(C)(C)O2 811953878 SVNOEGPQGDDTIX-HNNXBMFYSA-N 430.461 4.302 5 20 IIBD CCc1ccc(C(=O)OC[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)cc1[N+](=O)[O-] 813155670 GEBAHYIVKFRIGP-HNNXBMFYSA-N 428.432 4.206 5 20 IIBD Cc1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C(=O)NCC(F)(F)F)cc1F 813290864 QUIRQDFIZLIHCT-UHFFFAOYSA-N 439.321 4.333 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCCC1 813368328 FEVKRHGZLYCFAM-QGZVFWFLSA-N 438.311 4.477 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCc1cc([N+](=O)[O-])ccc1C(F)(F)F 815232604 ZRPJCJLPGBCKKB-UHFFFAOYSA-N 443.290 4.106 5 20 IIBD CC(C)n1c(S)nnc1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 815562217 ZPVJDOAVNKSMFH-NSHDSACASA-N 443.451 4.095 5 20 IIBD C[C@@H](C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1)c1ccc([N+](=O)[O-])cc1F 816854530 NOAVHCYTXWSPIC-HUUCEWRRSA-N 435.496 4.276 5 20 IIBD O=C(COC(=O)CSc1ccccc1[N+](=O)[O-])Nc1nc(-c2ccc(F)cc2)cs1 819010666 IXMPMSOFKQUINO-UHFFFAOYSA-N 447.469 4.131 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2cnn(-c3ccccc3)c2C(C)C)cccc1[N+](=O)[O-] 913379339 IPYXCJYECPYGAQ-MRXNPFEDSA-N 436.468 4.396 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCc2cccc(Cn3ccnc3)c2)CC1 914858107 LPTHSERVJUMZKS-UHFFFAOYSA-N 433.512 4.006 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)NCc2ccccc2COCc2ccccc2)cc1[N+](=O)[O-] 915299046 CBVKZEVMMMSUNN-UHFFFAOYSA-N 435.436 4.458 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)C(C)(C)c1ccc(Br)cc1 915584806 HVKFSYOLTMDBLD-UHFFFAOYSA-N 435.274 4.125 5 20 IIBD C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 916536159 YCKKJIGZYKOJSJ-ZDUSSCGKSA-N 434.876 4.495 5 20 IIBD O=C(NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1sc2cccc(Cl)c2c1Cl 916755142 YOOBQCLGBOWMGE-UHFFFAOYSA-N 431.278 4.235 5 20 IIBD C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 917673569 OBFMPBRBYBKXLR-NYUWMOHMSA-N 440.475 4.199 5 20 IIBD Cc1cc(F)c2c(c1)CCCN2C(=O)c1cc([N+](=O)[O-])ccc1I 917692305 HGMSTAFYKQOHRF-UHFFFAOYSA-N 440.212 4.240 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 921008232 BDWJJMKDHFQLPZ-ZDUSSCGKSA-N 440.456 4.244 5 20 IIBD O=C(Nc1ccn(C2CCCCC2)n1)c1ccc([N+](=O)[O-])cc1I 1116787601 PWAVSGMGRXPEPW-UHFFFAOYSA-N 440.241 4.153 5 20 IIBD Cc1cc(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)nc2ccccc12 1324989429 MHKKFHCAQWKKLP-UHFFFAOYSA-N 426.270 4.412 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)CSCc1cccs1 1339632612 VTPYFRPUDLCJNH-UHFFFAOYSA-N 432.527 4.377 5 20 IIBD COc1cc(COC(=O)[C@@H](C)c2ccc(F)c(F)c2)c([N+](=O)[O-])cc1OCC(F)F 1342007592 GBORIJOPUDOMBP-JTQLQIEISA-N 431.338 4.372 5 20 IIBD Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CCC2)nc1 1785748164 KUKUCUUTWDOOBZ-UHFFFAOYSA-N 448.479 4.272 5 20 IIBD CCc1ccnc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CCC2)c1 1785748993 VQPQVGQSMZRPTQ-UHFFFAOYSA-N 434.452 4.207 5 20 IIBD COC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CCc3cccc([N+](=O)[O-])c3)CCC2)cc1 1785890131 PZCCJBZNXHWHOY-UHFFFAOYSA-N 439.512 4.087 5 20 IIBD COc1cc(C(=O)NC2(c3ccc(NC(=O)c4cc[nH]c4C)cc3)CCC2)ccc1[N+](=O)[O-] 1788807211 BQRFUMORHVYULK-UHFFFAOYSA-N 448.479 4.301 5 20 IIBD CCCCC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1N(C)C 1800760736 OSJUUQSIBXQUPZ-AKHDSKFASA-N 444.576 4.129 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@H]1C[C@H]1C1CC1 1801205722 AGBIZCJPGZPREE-MGGVOPSTSA-N 439.537 4.107 5 20 IIBD CC(C)(C)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)[nH]n1 1816760637 LPBLAADIDCFZGN-KRWDZBQOSA-N 431.468 4.199 5 20 IIBD O=C(c1cccc(F)c1[N+](=O)[O-])N1CCC([C@@H]2CCCCN2C(=O)c2ccsc2)CC1 1825796487 LUFZJCJPAXDQMJ-IBGZPJMESA-N 445.516 4.343 5 20 IIBD Cc1ccoc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830619160 KCUWJFKMTKWCGC-LJQANCHMSA-N 443.475 4.182 5 20 IIBD CC/C=C(\C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1832515798 VQPQNCHGWPZMSB-AVKUUUQRSA-N 429.517 4.177 5 20 IIBD O=C(C1CCCC1)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1832902945 GUHLSVQSOKLWSG-GNNUASRNSA-N 439.556 4.418 5 20 IIBD CC(C)c1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 15516628 ALDGSVDLQZYUIO-LBPRGKRZSA-N 446.920 4.467 5 20 IIBD COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)CC2 16002303 ZOIJDCNIFXCIHS-XMMPIXPASA-N 448.475 4.409 5 20 IIBD CC(=O)N(c1ccc(C)c(C)c1)c1nc(COC(=O)c2cc([N+](=O)[O-])ccc2N)cs1 16814312 HBCQNVZTBSXBOD-UHFFFAOYSA-N 440.481 4.292 5 20 IIBD C[C@@H](OC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 18026426 LAIBVBFHBIHQSH-GFCCVEGCSA-N 447.419 4.265 5 20 IIBD O=C(COC(=O)Cc1ccc2ccccc2c1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 24978284 OXNYTSXXXQEGFQ-UHFFFAOYSA-N 432.354 4.491 5 20 IIBD C[C@H]1CCN(C(=O)COC(=O)CSc2ccccc2[N+](=O)[O-])c2ccccc2S1 25054147 NELULULSBYVEFI-AWEZNQCLSA-N 432.523 4.148 5 20 IIBD Cn1c(Sc2nc3sccn3c2[N+](=O)[O-])nc2scc(-c3cccs3)c2c1=O 29165497 ZWACWORAWXVDLW-UHFFFAOYSA-N 447.548 4.492 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N(Cc3ccco3)Cc3ccco3)cc2)c(C)c1[N+](=O)[O-] 30471256 PHZQXLIYBPNQAF-UHFFFAOYSA-N 434.452 4.485 5 20 IIBD C[C@@H](Sc1nnc(COc2ccccc2Cl)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 36662007 DTDJSFCESNDDRR-GFCCVEGCSA-N 447.904 4.075 5 20 IIBD Cc1nc(-c2cccs2)sc1C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 109218436 FZEQHVYIYCWSOY-UHFFFAOYSA-N 428.539 4.046 5 20 IIBD Cc1cc(=O)c(C(=O)Nc2ccccc2Nc2ccccc2)nn1-c1ccccc1[N+](=O)[O-] 216644004 STXVGOKCZZOCNI-UHFFFAOYSA-N 441.447 4.445 5 20 IIBD CCN(CC(=O)Nc1c(Cl)cccc1Cl)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 301566710 MIKXZJCQLUWLRA-UHFFFAOYSA-N 437.283 4.251 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 303029639 SZWZOBBMZTWDAW-ZDUSSCGKSA-N 434.481 4.098 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)cc1OC 303817548 DDNWPENYZPYALN-AWEZNQCLSA-N 433.892 4.054 5 20 IIBD COc1ccc(OCCn2cnc3scc(-c4ccc(C)cc4)c3c2=O)c([N+](=O)[O-])c1 303872754 IBTGEKUNLORCLJ-UHFFFAOYSA-N 437.477 4.429 5 20 IIBD COc1cc(CN[C@@H](C(=O)O)c2ccccc2F)ccc1OCc1ccc([N+](=O)[O-])cc1 426776134 WWNGDEOGQNLSRD-JOCHJYFZSA-N 440.427 4.237 5 20 IIBD Cc1cc(C(=O)N(Cc2ccccc2Br)C2CCN(C)CC2)ccc1[N+](=O)[O-] 426798715 JDFDLNNVQREPEJ-UHFFFAOYSA-N 446.345 4.402 5 20 IIBD Cc1cc(Br)c(S(=O)(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)s1 427798087 CASSLJDDNVFTPC-UHFFFAOYSA-N 431.333 4.081 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@@H](C)c2ccccc2Cl)cc(Br)cc1[N+](=O)[O-] 430341704 GZKMXUZGNHJJHA-JTQLQIEISA-N 440.681 4.135 5 20 IIBD O=C(Nc1ccc(Br)cn1)C1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 432318133 PPWUKPGYGMUVSR-UHFFFAOYSA-N 439.697 4.261 5 20 IIBD Cc1cc(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)n([C@H]2CCN(Cc3ccccc3)C2)n1 435512523 XUAIGNJWFOCHPG-GCJKJVERSA-N 448.527 4.429 5 20 IIBD Cc1c(NC(=O)c2cc(Br)c(O)c(Br)c2)cccc1[N+](=O)[O-] 436610148 SIKRWDGONPDOSO-UHFFFAOYSA-N 430.052 4.386 5 20 IIBD O=C(NCC(F)(F)F)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 437163438 GLXJNXIQDNEXFB-UHFFFAOYSA-N 435.280 4.158 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N(Cc1ccccc1)CC(F)F 437170135 VTTXHXZGFWAKHR-UHFFFAOYSA-N 446.191 4.107 5 20 IIBD O=C(Nc1ccc(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1)c1ccncc1 438021888 IBLVAYTZUQPIAC-UHFFFAOYSA-N 445.479 4.116 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)Nc2nc3ccccc3s2)cc1[N+](=O)[O-] 438787552 SUAAMSVYGUKCAW-UHFFFAOYSA-N 428.289 4.076 5 20 IIBD CC(C)c1ccc(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2Cl)cc1[N+](=O)[O-] 439103464 UYIYFECLBIKCFU-UHFFFAOYSA-N 437.905 4.164 5 20 IIBD CC(C)c1ccc(C(=O)N(C)C[C@@H](O)COc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] 439514680 OTGDUOUDSJJPAY-OAHLLOKOSA-N 440.418 4.249 5 20 IIBD COC[C@@H]1CN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C[C@H](C)O1 439953173 WETJLHNFJAZEOY-ZFWWWQNUSA-N 436.917 4.275 5 20 IIBD C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 441083390 DLNZMECSPCFAAV-RYUDHWBXSA-N 428.436 4.277 5 20 IIBD CC(C)c1nc2c(n1C)CCN(C(=O)c1cc(F)cc3c(=O)c4cccc(F)c4[nH]c13)C2 444010495 PHMZCNNXHATDKL-UHFFFAOYSA-N 436.462 4.015 5 20 IIBD C[C@@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1nc(C(C)(C)C)no1 444121187 KFZZVCHHLHZTNK-SNVBAGLBSA-N 426.423 4.131 5 20 IIBD CCOc1cc(C(=O)N(C)C)ccc1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 444166379 BNLWRXDVUFCWIV-UHFFFAOYSA-N 429.476 4.034 5 20 IIBD Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444634931 IWCWPQOACMYFDR-UHFFFAOYSA-N 444.373 4.118 5 20 IIBD O=C(N1CCc2sccc2C1)N1CCC[C@@H](c2nc(-c3ccc([N+](=O)[O-])s3)no2)C1 445467636 BHXGAUJSDBOVRH-CYBMUJFWSA-N 445.526 4.126 5 20 IIBD COc1cc(Cc2noc(-c3ccc(Br)cc3C)n2)c([N+](=O)[O-])c(OC)c1 445819730 RXCKKCBYOKTPEO-UHFFFAOYSA-N 434.246 4.324 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCC(Oc2ncccc2F)CC1 446914109 XJRVDHCXTYYMJQ-UHFFFAOYSA-N 435.430 4.038 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2cccnc2)c(C(F)(F)F)c1 447022459 DXIZRUGUVGJSFM-SFHVURJKSA-N 437.399 4.077 5 20 IIBD CCn1ncnc1COc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 447304560 IYMJWKOYKXUYDF-UHFFFAOYSA-N 436.255 4.344 5 20 IIBD COc1cccc(O[C@H](C)CNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 460530804 WHNVDVJODHLMRK-GFCCVEGCSA-N 444.431 4.298 5 20 IIBD Cc1cccc(-c2nnc(N(Cc3cccc([N+](=O)[O-])c3)C3CC3)n2C[C@H]2CCCCO2)n1 461819593 SUXJKKSJIPXSPL-OAQYLSRUSA-N 448.527 4.295 5 20 IIBD COc1ccccc1S(=O)(=O)CCCSc1ccc(Br)cc1[N+](=O)[O-] 463773124 DPJHABGPNIWWEU-UHFFFAOYSA-N 446.344 4.322 5 20 IIBD CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 465170516 WZUBQPGYYZZIML-UHFFFAOYSA-N 438.402 4.365 5 20 IIBD CN(C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C1CCN(c2cccnn2)CC1 467583190 WXUXTLMKGSODMB-UHFFFAOYSA-N 448.483 4.310 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(Br)cc1-c1nc(C2CC2)no1 471455830 UDHBXCDDWPKLPZ-UHFFFAOYSA-N 443.257 4.466 5 20 IIBD CCc1ccc([C@@H](NCc2nc(COc3ccccc3)n[nH]2)c2ccc([N+](=O)[O-])cc2)o1 471586678 DKHFEENRLBRDDJ-QHCPKHFHSA-N 433.468 4.327 5 20 IIBD C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(Br)cn1 474761369 ZPKXUVWGLXGIRN-SECBINFHSA-N 447.211 4.332 5 20 IIBD O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 476867429 YNWOWUYCPCGCFQ-LBPRGKRZSA-N 447.278 4.164 5 20 IIBD COc1ccc(CN(CCc2ccccn2)C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1 478122333 ZBRVRVLFTACVIM-UHFFFAOYSA-N 430.464 4.365 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CCC(c2cccc(Cl)c2)CC1 478248790 HGVKMHIDIILWFS-UHFFFAOYSA-N 429.904 4.105 5 20 IIBD O=C(Nc1cccc(-n2cc(C(F)(F)F)cn2)c1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 478663815 WPMKFNDCWUICKD-UHFFFAOYSA-N 443.341 4.305 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccccc1N1CCOCC1 479394495 SKHAKCMYAWBAAI-UHFFFAOYSA-N 443.569 4.452 5 20 IIBD COc1cc(C(=O)NCc2ccc(COCc3ccccc3)cc2)c([N+](=O)[O-])cc1OC 480350318 PRWKKPHLUIYQCP-UHFFFAOYSA-N 436.464 4.259 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 480464435 OITHVZMEQGTJPW-IRXDYDNUSA-N 443.569 4.246 5 20 IIBD CCc1c(NC(=O)COc2cccc([N+](=O)[O-])c2)cnn1-c1cccc(C(F)(F)F)c1 482732094 HOKHXTDXZPMDIR-UHFFFAOYSA-N 434.374 4.379 5 20 IIBD C[C@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)cn1 482960135 NBVHRAWAXHCEJX-VHSXEESVSA-N 427.686 4.084 5 20 IIBD O=C(Nc1nc2ccc(Br)cc2[nH]1)c1sc(Br)cc1[N+](=O)[O-] 485901747 USGZXYNICWJESH-UHFFFAOYSA-N 446.080 4.310 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 486449007 WMPZSLSCBWBYNL-IBGZPJMESA-N 449.960 4.164 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)c(C)c([N+](=O)[O-])c1 486869021 AEARMQBFTWINRU-HNNXBMFYSA-N 429.326 4.254 5 20 IIBD O=C(Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 487173703 ANTOGDHXEJHTJM-HKBQPEDESA-N 438.461 4.025 5 20 IIBD CC(=O)N(c1ccc(F)cc1)c1nc(Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)cs1 487934777 PKBBTBRMIPOKFI-UHFFFAOYSA-N 438.440 4.238 5 20 IIBD C[C@H](Oc1cccnc1NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 488635506 XYECSQFQNGJZQC-INIZCTEOSA-N 436.472 4.195 5 20 IIBD Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)o2)cc1 489113806 FVEUAPDDMACRSX-UHFFFAOYSA-N 434.861 4.249 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)cc1[N+](=O)[O-] 489620634 CJKVBWUNHYFDKC-KRWDZBQOSA-N 432.395 4.396 5 20 IIBD Cc1nc2[nH]c(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc2cc1Br 489821350 QQNSJGPEVOVKSJ-VIFPVBQESA-N 436.291 4.056 5 20 IIBD COc1cc(CNCC[C@@]2(O)C[C@H]3CC[C@H]2C3)ccc1OCc1ccc([N+](=O)[O-])cc1 491590177 XVDJDTBVZSGZIQ-VAXXYWNWSA-N 426.513 4.213 5 20 IIBD CCOC(=O)[C@@H]1CCCc2sc(NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)nc21 493481754 QMEGSCROVNKICT-GFCCVEGCSA-N 443.403 4.305 5 20 IIBD COc1ccc(OC)c(NC(=O)C[C@H](C)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 494530248 WSRYDOATYRDABP-LBPRGKRZSA-N 441.406 4.138 5 20 IIBD COc1cc(C(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)c([N+](=O)[O-])cc1OC(F)F 500111626 KCLWGXXLWSYMQS-IBGZPJMESA-N 447.369 4.258 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@@H]3CCC[C@H]3OC(F)F)cc2[N+](=O)[O-])n1 501755500 QEWZWMCWKHCCIH-DGCLKSJQSA-N 429.470 4.401 5 20 IIBD CC(C)(COc1ccc(C(F)(F)F)cn1)NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 502264486 ZQYKIVZORAJXDB-UHFFFAOYSA-N 437.378 4.006 5 20 IIBD O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)c1ccc([N+](=O)[O-])cc1Br 506024861 ONPGMOQPVFLJCM-UHFFFAOYSA-N 444.207 4.488 5 20 IIBD O=C(COc1c(Cl)cncc1[N+](=O)[O-])N(CCc1ccccc1)Cc1ccccc1 506541963 SQXRXIWTZSLNFH-UHFFFAOYSA-N 425.872 4.294 5 20 IIBD COc1ccc(CN(C)Cc2nccn2C(F)F)cc1OCc1ccc([N+](=O)[O-])cc1 507104039 PWJCFQYQSBOACU-UHFFFAOYSA-N 432.427 4.406 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CC(C)(C)c3c(Cl)cccc32)cc1[N+](=O)[O-] 509038468 LOPWMVGDNFOORK-UHFFFAOYSA-N 443.916 4.466 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2Cc3ccccc3C3(CCC3)C2)c(C(F)(F)F)c1 509592995 PYWOLSDNPXGXIU-UHFFFAOYSA-N 426.416 4.240 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 512037220 PCQZWYHZNAWZQV-SFHVURJKSA-N 438.914 4.386 5 20 IIBD Cc1c(C(=O)N2CCCc3c2cccc3[N+](=O)[O-])cnn1-c1cccc(Br)c1 513834314 RUFLLAXHJVYPBC-UHFFFAOYSA-N 441.285 4.444 5 20 IIBD Cn1ccnc1[C@@H]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 516814799 HAORGWBFIATEFB-LJQANCHMSA-N 428.496 4.171 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2ccccc2N2CCCCC2)c1 518188466 IBNUNLZQZJFWDB-UHFFFAOYSA-N 440.319 4.148 5 20 IIBD CCN(C(=O)Cc1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1)c1ccccc1 518303605 BUEOPQSQOUDUTF-UHFFFAOYSA-N 447.447 4.171 5 20 IIBD O=C(NCc1ccc(Oc2cccnc2)c(F)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 520734040 ARDFRDFDVWHJTK-UHFFFAOYSA-N 433.399 4.037 5 20 IIBD COc1cc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc(I)c1OC 520955692 HYMQZEVYOLLMIL-NSHDSACASA-N 442.253 4.067 5 20 IIBD COc1cccc(OC)c1Oc1ccc(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cn1 521088094 FQAWYDKMXKXMTJ-UHFFFAOYSA-N 443.843 4.383 5 20 IIBD CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 521927746 WAGFRRRKVCSMCB-UHFFFAOYSA-N 444.702 4.334 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1)N1CCC(C(=O)N2CCc3c2cccc3[N+](=O)[O-])CC1 523166095 NEVBCZGNRPCEKY-UHFFFAOYSA-N 447.413 4.055 5 20 IIBD O=C(Nc1ccc(F)cc1)[C@@H]1CCc2ccccc2N1C(=O)Cc1cccc([N+](=O)[O-])c1 525145529 MSKDOTCRWYEFCH-QFIPXVFZSA-N 433.439 4.263 5 20 IIBD CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)Cc2cccc([N+](=O)[O-])c2)nc1C 525151858 YFBIQWICKVVXOE-UHFFFAOYSA-N 439.493 4.312 5 20 IIBD CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1 525648512 JHSMQPDGPURYEZ-UHFFFAOYSA-N 433.892 4.432 5 20 IIBD CC(=O)Nc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c(Cl)c1 530789226 CRNCAJIKPSTIKG-UHFFFAOYSA-N 426.654 4.150 5 20 IIBD Cc1ccc(S(=O)(=O)N(C)[C@H](c2ccncc2)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 530903815 JKEDKXMWQOJHRY-FQEVSTJZSA-N 431.901 4.362 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@H]1Cn1cnc2ccccc21 533749659 XFWFEIXHLXEOJB-QGZVFWFLSA-N 433.493 4.373 5 20 IIBD CCc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)noc1-c1ccc(Cl)s1 534494197 APSFUXDYGRKQSC-UHFFFAOYSA-N 431.854 4.467 5 20 IIBD Cn1cnnc1Sc1ccc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cc1Cl 535670283 LQPNELKHDXKYJO-UHFFFAOYSA-N 428.861 4.262 5 20 IIBD CCc1nc2ccccc2n1C1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 536744879 VLRYSRFTNKEWFY-UHFFFAOYSA-N 435.528 4.481 5 20 IIBD COCCn1ccc2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Br)cc21 537764779 VXJFRYQCTZMWLO-UHFFFAOYSA-N 432.274 4.140 5 20 IIBD Cn1cc(C(=O)NCCOCc2ccc(Cl)cc2Cl)c(-c2ccc([N+](=O)[O-])cc2)n1 538487468 ITPWGXZFMFYXKI-UHFFFAOYSA-N 449.294 4.249 5 20 IIBD Cc1cc(C[C@@H](C)NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)n(-c2ccccc2)n1 539526254 WCYCPZUUHXKMOP-QGZVFWFLSA-N 430.512 4.210 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 541135758 IMPWSRGXWUATEO-KRWDZBQOSA-N 426.416 4.306 5 20 IIBD CC(C)[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 542257457 OCWGRSRRFCBVMP-SFHVURJKSA-N 430.448 4.374 5 20 IIBD CNC(=O)COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)cc1 542554008 QJHGHPYHFDBJKQ-UHFFFAOYSA-N 443.525 4.254 5 20 IIBD CCCc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cnn1-c1cc(F)c(OC)cc1F 543126738 MDFQJEFSRXUDBP-UHFFFAOYSA-N 446.410 4.281 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(N2CCc3ccccc3C2)CC1 544225594 XKXJYYLJTRFFII-UHFFFAOYSA-N 445.972 4.390 5 20 IIBD COc1cc(Cc2noc(C3=Cc4cc(Br)ccc4OC3)n2)ccc1[N+](=O)[O-] 546473661 OMSPPGSOTSBHRQ-UHFFFAOYSA-N 444.241 4.273 5 20 IIBD O=[N+]([O-])c1cc(CNCc2ccc(Cn3cncn3)cc2)ccc1Oc1ccc(F)cc1 551196068 KXAUGIZJVVUOCB-UHFFFAOYSA-N 433.443 4.456 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)N(CC(F)F)C(=O)CS3)c1 551664897 XEAIISQTOGDMKX-UHFFFAOYSA-N 439.465 4.273 5 20 IIBD CC(C)[C@H]1C[C@@H](NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c2ccccc21 551742500 RRERMSIOSPVQJY-QZTJIDSGSA-N 446.301 4.297 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc(C(F)(F)F)cc1N1CCCC1 552196569 KAUNSKNIYGWYSV-UHFFFAOYSA-N 433.390 4.020 5 20 IIBD COc1cc(C(=O)N[C@H](CO)CC2CCC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 553106761 UERBZHBIUHJESZ-INIZCTEOSA-N 434.876 4.330 5 20 IIBD CCn1ccnc1[C@H]1OCC[C@@H]1Nc1ccc(C(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-] 553276345 WQHONCFTCRNGKK-FPOVZHCZSA-N 435.484 4.314 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 554135979 UYNDWUTXUKQJGY-IJEWVQPXSA-N 436.917 4.043 5 20 IIBD COc1ccc([C@H](OC)[C@H](C)NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1 555930438 NGMZYQIWVHHTKS-KPZWWZAWSA-N 437.290 4.180 5 20 IIBD CCOc1c(Cl)cc(-c2noc(-c3cc([N+](=O)[O-])cc4c3OCCO4)n2)cc1OC 558274462 AOTVAMAJGZVFSM-UHFFFAOYSA-N 433.804 4.144 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 560993479 BBGNYLOJRDYKKW-NRFANRHFSA-N 435.446 4.050 5 20 IIBD CCOc1cc(CNc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)ccc1OC(F)F 570200332 YBNKFMCQKZRGOD-UHFFFAOYSA-N 441.406 4.183 5 20 IIBD CCOc1cc(CN[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)ccc1OCCn1c([N+](=O)[O-])cnc1C 572887231 LQAAAEUGJBFFMR-KSNOWIBYSA-N 448.523 4.005 5 20 IIBD COc1ccc([C@H](C)Nc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)c(C)c1OC 579753774 NQQUEUWRXNVACV-ZDUSSCGKSA-N 444.875 4.293 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)c1cc2ccccc2s1 581002630 PCGYLGOXELXFMY-JTQLQIEISA-N 448.298 4.388 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@@H](c2c(Cl)cccc2Cl)C2CC2)cc1[N+](=O)[O-] 582331159 CHUKEQYJSMMXNY-QGZVFWFLSA-N 438.267 4.116 5 20 IIBD C[C@@H](C(=O)N1CCCN(C(=O)Nc2cccc(Cl)c2)CC1)c1cccc([N+](=O)[O-])c1 584269001 CZTPHMZBULSXJU-OAHLLOKOSA-N 430.892 4.118 5 20 IIBD C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CC2(CCC2)[C@H]1[C@H]1CCCO1 589300746 DATWKAFGYDBILP-NIKGAXFTSA-N 442.541 4.079 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)NCc3ccc(CC(N)=O)cc3)cc2[N+](=O)[O-])cc1 589464854 ZFQHVUZOTFKNEV-UHFFFAOYSA-N 435.505 4.012 5 20 IIBD O=C(Cc1ccc(-n2cccn2)cc1)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 603733471 OWSAVQKZYFJNCF-UHFFFAOYSA-N 426.432 4.193 5 20 IIBD Cn1cnnc1-c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1 603738983 OEUNEHQSAMCNJB-UHFFFAOYSA-N 428.452 4.255 5 20 IIBD Cc1ccc(Cc2cnc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)s2)cc1C 603762548 RZSVGTQSMITNFQ-UHFFFAOYSA-N 425.466 4.282 5 20 IIBD C[C@H]1Cc2ccccc2N1C1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 603919890 FCIZYZCYUZXXLC-IBGZPJMESA-N 448.567 4.253 5 20 IIBD Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n(-c2ccccc2C(F)(F)F)n1 608927223 SMWIBFDNVHEWMW-UHFFFAOYSA-N 440.403 4.217 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1OC 609091172 WPUYDWRPXAYONK-UHFFFAOYSA-N 446.463 4.475 5 20 IIBD Cc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1NS(=O)(=O)c1ccccc1 609441876 QMXNMQWHFZVNKU-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD Cc1ccc(Sc2ccc(CN[C@@H]3CCN(C4CCN(C)CC4)C3)cc2[N+](=O)[O-])cc1 609571533 NCJBXBOSCYYQBG-HXUWFJFHSA-N 440.613 4.313 5 20 IIBD CCc1ccc(-c2noc(CSCCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)n2)cc1 609769630 MZWJYZRGBZBSQH-UHFFFAOYSA-N 440.481 4.439 5 20 IIBD O=C(Nc1cccc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)c1)[C@H]1Cc2ccccc2O1 609859385 GFSJUOZEBNXCBD-HSZRJFAPSA-N 443.459 4.130 5 20 IIBD Cc1ccc(SCC(F)(F)F)c(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c1 609908253 JCQPRXYHYJUVHV-UHFFFAOYSA-N 437.403 4.391 5 20 IIBD COC(=O)c1cc(C(=O)Nc2cc(-c3ccco3)nn2-c2ccc(C)cc2)cc([N+](=O)[O-])c1 609977662 DTWBXISRJHPBCQ-UHFFFAOYSA-N 446.419 4.388 5 20 IIBD C[C@H]1CN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H](C)O1 610041592 VCAPVLATEGMBJY-BETUJISGSA-N 434.290 4.223 5 20 IIBD COc1cc(C(=O)NCC(C)(C)c2ccc(Br)cc2)cc([N+](=O)[O-])c1OC 610172005 LQCMCAVQYIOSGF-UHFFFAOYSA-N 437.290 4.082 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC2(CC1)OCc1ccccc12 610740076 CUCOFYGAFVPMRK-UHFFFAOYSA-N 443.308 4.112 5 20 IIBD O=C(c1cnc2ncc(Br)cc2c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 614860711 NUDBDIRGVNIXDF-UHFFFAOYSA-N 427.258 4.105 5 20 IIBD CCCN(C[C@@H]1COc2ccccc2O1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 652221421 GIEVJEFTGGQCKT-LJQANCHMSA-N 442.515 4.233 5 20 IIBD O=C(CCc1cccc(OC2CCCC2)c1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 727889327 ASLIKXRCJRLAFR-UHFFFAOYSA-N 427.453 4.459 5 20 IIBD CC(=O)Nc1cccc(NC(=O)[C@H](OC(=O)c2c(Cl)cccc2[N+](=O)[O-])C(C)C)c1 730644387 CRINPADOQGHRQT-GOSISDBHSA-N 433.848 4.027 5 20 IIBD O=C(COC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ccc(Br)cc1Cl 730644589 OGDFROSUIDODOH-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD O=C(COC(=O)c1c(Cl)cccc1[N+](=O)[O-])NCC1(c2ccccc2)CCCCC1 730646076 ZBEZODWNZDARPK-UHFFFAOYSA-N 430.888 4.423 5 20 IIBD O=C(CCCc1c[nH]c2ccccc12)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730709226 UAUUPTIAKHRUJU-SFHVURJKSA-N 435.480 4.247 5 20 IIBD O=Cc1ccc(OCC(=O)Nc2nc3c(s2)C[C@H](c2ccccc2)CC3)c([N+](=O)[O-])c1 731618349 NIZYIZFWFRWNKO-MRXNPFEDSA-N 437.477 4.154 5 20 IIBD C[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)Sc1ccc(Br)cc1 731654095 IOTGRDSXHNXHKX-NSHDSACASA-N 443.294 4.172 5 20 IIBD Cc1c(C(=O)OCc2ccc(OCc3cccnc3)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 733473302 JSTUVWUPQWWWBA-UHFFFAOYSA-N 437.408 4.451 5 20 IIBD Cc1ccc(OCc2cccc(C(=O)O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cn1 734056640 XDKOSBSZWOZGDP-INIZCTEOSA-N 435.436 4.061 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@@H](N2CCCCC2=O)C1 735367833 CIETUWIXBQTINM-LJQANCHMSA-N 438.484 4.396 5 20 IIBD Cc1cccc(COC(=O)CSc2nc3cc([N+](=O)[O-])ccc3n2-c2ccccc2)n1 736743821 DWFOIRMFTWTVIU-UHFFFAOYSA-N 434.477 4.473 5 20 IIBD COc1cc(N2CCC(OC(=O)CCSc3ccccc3F)CC2)ccc1[N+](=O)[O-] 739380928 PQCYZMHLJNDHIV-UHFFFAOYSA-N 434.489 4.437 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)CC2)ccc1[N+](=O)[O-] 739386506 WUADGQXSKQXUQG-KBPBESRZSA-N 430.423 4.484 5 20 IIBD COCCN(C(=O)c1cc(C)ccc1[N+](=O)[O-])c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 741884361 MLJWESQVRFHKNN-UHFFFAOYSA-N 442.453 4.228 5 20 IIBD COc1ccc(CC(=O)Nc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)cc1[N+](=O)[O-] 742887512 NFMOTIFTPFYPAY-CQSZACIVSA-N 429.473 4.370 5 20 IIBD Cc1sc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])nc1-c1cccc([N+](=O)[O-])c1 744362948 WXQNDABSBJBCEI-UHFFFAOYSA-N 427.442 4.010 5 20 IIBD O=C(COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccccc1Br 745564367 AASBGKVYPGDKEH-UHFFFAOYSA-N 447.163 4.172 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 746254184 WKRJHILHKGFCMC-XMSQKQJNSA-N 427.476 4.062 5 20 IIBD O=C(OCCOc1cncc(Br)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 747251306 UOQAOJCQODNRIL-UHFFFAOYSA-N 435.152 4.007 5 20 IIBD C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(N2CCOC2=O)c1 747652581 UNHBVLWWERANEO-CYBMUJFWSA-N 438.465 4.166 5 20 IIBD CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)OC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 749319065 RKERWDMRBJLBIA-GFCCVEGCSA-N 435.392 4.209 5 20 IIBD O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cc(Br)cc([N+](=O)[O-])c1Cl 750829723 SATZDYHJNASKOK-AWEZNQCLSA-N 438.709 4.015 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 750832319 BFMNNXUEGJTZED-INIZCTEOSA-N 446.548 4.033 5 20 IIBD O=C(COC(=O)c1ccc(Br)cc1[N+](=O)[O-])Nc1ccc(Cl)cc1Cl 750962794 DGTPPGIYQNDEBG-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 751360584 MOFGLVFDJKAJDK-SFHVURJKSA-N 445.324 4.036 5 20 IIBD COc1ccc(CSCC(=O)N2CCCCC[C@@H]2C[C@H](O)c2ccco2)cc1[N+](=O)[O-] 752109231 VWVOKRHNJKPSQO-MJGOQNOKSA-N 448.541 4.325 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)ccc1Cl 752202741 OZSFDFGXZDFPIJ-UHFFFAOYSA-N 445.309 4.145 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)c1c(F)ccc([N+](=O)[O-])c1F 752559250 NOBZJQPMEOBWLD-VIFPVBQESA-N 428.775 4.027 5 20 IIBD Cc1c(Br)cc(C(=O)OCC(C)(C)C2OCC(C)(C)CO2)cc1[N+](=O)[O-] 753562655 RRCSPXMVEBVBTD-UHFFFAOYSA-N 430.295 4.248 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 754096234 CKCWQYSIXXCLMW-SUMWQHHRSA-N 430.404 4.062 5 20 IIBD Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)OC(=O)Cc1ccc([N+](=O)[O-])cc1Br 756523972 BOTNKPKOQKSPBB-KGLIPLIRSA-N 449.301 4.017 5 20 IIBD Cc1cc(N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 758478885 BSDJEBWBPFJUFQ-AEFFLSMTSA-N 441.532 4.490 5 20 IIBD Cn1ccc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)c2ccc(Cl)cc2)n1 759153823 MFIRWIUEPYZMRX-KRWDZBQOSA-N 449.692 4.264 5 20 IIBD CC(C)CC(=O)Nc1ccc(C(=O)O[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1F 759948432 YSYRRLMLTKBMFH-QZTJIDSGSA-N 432.452 4.256 5 20 IIBD O=C(NCC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 760721170 LKFQYOVKCKXJQE-LJQANCHMSA-N 438.311 4.355 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@H](C)Sc1nc2ccccc2s1 762906477 HCGXJOUZWJHGJN-LBPRGKRZSA-N 431.495 4.175 5 20 IIBD CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)c1cc(F)c([N+](=O)[O-])cc1F 763502917 ZWTYYGJTRHAWHZ-UHFFFAOYSA-N 433.411 4.150 5 20 IIBD CCn1c(SC[C@H](O)c2cccc(Br)c2)nnc1-c1ccc([N+](=O)[O-])cc1 764690852 ZSVYWIUPBZPCBF-INIZCTEOSA-N 449.330 4.461 5 20 IIBD CCc1ccc(N(C(C)=O)c2nc(COC(=O)c3cc(O)cc([N+](=O)[O-])c3)cs2)cc1 769048950 OEYBITSUGDWQJZ-UHFFFAOYSA-N 441.465 4.361 5 20 IIBD COc1cccc(C(=O)O[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 769605953 WZGDFPDUSUUUAY-QWRGUYRKSA-N 441.267 4.333 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 769705527 LSKNFNXQGCWQLI-LJQANCHMSA-N 429.521 4.083 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2cccc(OCC(F)(F)F)c2)cccc1[N+](=O)[O-] 770122999 APGBTRNLYWYFMV-LBPRGKRZSA-N 426.347 4.028 5 20 IIBD C[C@@H](Nc1ccc(C(=O)OCc2ncn(-c3ccccc3)n2)cc1[N+](=O)[O-])c1ccccn1 770962786 UQGCDGQDYNIAIN-MRXNPFEDSA-N 444.451 4.101 5 20 IIBD Cc1nc(Br)ccc1NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 774060623 OWVOKNRUUPCVAX-UHFFFAOYSA-N 435.278 4.136 5 20 IIBD Cc1ccc(C(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])c(Br)n1 776217890 MRHXPZMYDBCLHA-KRWDZBQOSA-N 428.242 4.402 5 20 IIBD O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 777888480 NQCPIHYUMSFXOP-UHFFFAOYSA-N 427.411 4.310 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)c1ccccc1OCc1cscn1 778798347 RNTSWJBYVAQGCR-GOSISDBHSA-N 425.466 4.066 5 20 IIBD C[C@@](O)(CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1ccccc1 779346742 LKZCZJGIPMNYIX-QGZVFWFLSA-N 427.682 4.038 5 20 IIBD CN1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)c2cc(F)ccc21 786978892 MXDFLLSOHFLCTH-UHFFFAOYSA-N 434.276 4.076 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)S(=O)(=O)c1ccc(C(F)(F)F)cc1 788522087 PCKPLUPXQZLHJO-JTQLQIEISA-N 427.360 4.199 5 20 IIBD C[C@H](OC(=O)COc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 789749735 VLDMTIBXGMBFAV-HNNXBMFYSA-N 438.411 4.350 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccc(NC[C@@H]2CCCO2)c(F)c1 790766227 BYCNUFBSXGJQCB-ZDUSSCGKSA-N 425.819 4.299 5 20 IIBD CC(C)(COc1ncccc1C(F)(F)F)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790960352 ZEJZEFSZXWVCEV-UHFFFAOYSA-N 449.788 4.317 5 20 IIBD CCn1c([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)nc2ccccc21 791218321 CCSQZDMYDIPSIL-SFHVURJKSA-N 425.464 4.147 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)CC1 792334513 ZBEHQYFXXXQLHD-UHFFFAOYSA-N 446.548 4.037 5 20 IIBD COc1ccc(-c2nc(C)c(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1OC 792407604 ZMSYTJOCKNKZHX-UHFFFAOYSA-N 442.449 4.084 5 20 IIBD C[C@H]1[C@@H](NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)CCN1C(=O)OC(C)(C)C 796648181 HHDMTXLBBRNPKP-VCBZYWHSSA-N 430.505 4.373 5 20 IIBD CC(=O)c1cc(Br)ccc1OCC(=O)OCc1ccc([N+](=O)[O-])cc1Cl 797229526 AVKLCZRJSCLXPD-UHFFFAOYSA-N 442.649 4.336 5 20 IIBD Cc1cc(N2CCC(O)(c3scnc3Br)CC2)c(Cl)cc1[N+](=O)[O-] 797438558 UMVNTEABPLGRRA-UHFFFAOYSA-N 432.727 4.264 5 20 IIBD O=C(NC[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1)OCc1ccccc1 797622858 XQUXRPCHYMOATP-MRXNPFEDSA-N 446.891 4.419 5 20 IIBD CC(C)(C)OC(=O)NC[C@]1(C)CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 802655060 SOUVMGFIMYCAQJ-NRFANRHFSA-N 432.546 4.455 5 20 IIBD C[C@H](OC(=O)c1cc(O)ccc1C(F)(F)F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 803527218 IVHOCPVJBCRQIJ-QMMMGPOBSA-N 432.738 4.157 5 20 IIBD CC(C)(C)OC(=O)NCC[C@H]1CCCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 805299644 ZGAOOXTZMAOMBT-QGZVFWFLSA-N 432.521 4.079 5 20 IIBD C[C@@H](Cc1cncc2ccccc12)C(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 805872024 LLEMVCXVAZTVCT-KRWDZBQOSA-N 434.496 4.176 5 20 IIBD COC1(CCOC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)CCC1 809047070 KQMZWKBOOSLQJE-UHFFFAOYSA-N 426.469 4.008 5 20 IIBD CCCNC(=O)Nc1cccc(OS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)c1 809815756 QSXDFYDDRJOUKH-UHFFFAOYSA-N 448.284 4.201 5 20 IIBD COc1ccc([C@@H](O)C2CCN(C(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)CC2)cc1 812642077 UGEXFPYOSPUUNB-QVKFZJNVSA-N 430.526 4.056 5 20 IIBD O=C(NC1CCCCC1)OC[C@H]1CCCCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 813730552 SAELCJYRJXPHSJ-MRXNPFEDSA-N 428.489 4.130 5 20 IIBD CCOc1ccc(C(=O)O[C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] 816399570 SBHNBOUVFDZQDV-VBKZILBWSA-N 430.432 4.042 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccccc1OCc1cscn1 914896056 RXBBDAMIWNSKGU-UHFFFAOYSA-N 438.421 4.037 5 20 IIBD CCc1cccc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cn2)c1 916088635 WYGQEZKMKGHXON-UHFFFAOYSA-N 448.479 4.433 5 20 IIBD O=C(CN1CCC(C(=O)c2cc(F)ccc2F)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 917122662 RMBNVOXTUAJYHP-UHFFFAOYSA-N 437.830 4.060 5 20 IIBD COc1ccc([C@H]2CCCCCN2C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2F)cc1 919251320 YSJBHPMTHRLQNZ-HXUWFJFHSA-N 430.432 4.043 5 20 IIBD C[C@H](Nc1ccc(C(=O)OCC(=O)c2ccc3c(c2)CCO3)cc1[N+](=O)[O-])c1ccccn1 920548782 SLGAKNLOORWVCP-HNNXBMFYSA-N 447.447 4.138 5 20 IIBD O=C(CCNS(=O)(=O)/C=C\c1ccccc1)OCc1nc2ccccc2c2ccccc12 921249048 BWKGKFDUEGODGR-ICFOKQHNSA-N 446.528 4.412 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCc1cn(-c2ccccc2)nc1-c1ccccc1 921267421 ZUZIKXCSTMIQIW-UHFFFAOYSA-N 446.438 4.282 5 20 IIBD Cc1cnn(CC2CC2)c1NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 1251963661 HAMJMHZHUZAGEF-UHFFFAOYSA-N 435.271 4.255 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCCCN1C(=O)c1ccccc1 1320367792 UWHQHWWSWADFBM-SFHVURJKSA-N 447.285 4.095 5 20 IIBD Cc1cc(C)cc(C(=O)N2CCC[C@H](c3nnc(COc4ccccc4[N+](=O)[O-])o3)C2)c1 1322204523 BCEXGXUSTGOJRZ-KRWDZBQOSA-N 436.468 4.193 5 20 IIBD O=[N+]([O-])c1ccc(CN[C@H](CO)c2ccccc2OC(F)(F)F)c(Br)c1 1322483684 DKXMYVFNNXHTSP-CQSZACIVSA-N 435.196 4.079 5 20 IIBD CC(C)(C)CC(=O)NC1(c2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2)CCC1 1790619250 ZNSCBKKZQYOEKR-UHFFFAOYSA-N 425.485 4.484 5 20 IIBD COCCCC(=O)NC1(c2ccc(NC(=O)c3c(F)ccc([N+](=O)[O-])c3C)cc2)CCC1 1790774004 JLEMUOOKPOEQGB-UHFFFAOYSA-N 443.475 4.217 5 20 IIBD Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccccc2F)cc(Cl)cc1[N+](=O)[O-] 1799523103 XWJBZEVEPQZEFA-MUJYYYPQSA-N 445.878 4.261 5 20 IIBD CCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)n[nH]1 1821843896 LAPITWWKIFDUMU-SFHVURJKSA-N 445.495 4.128 5 20 IIBD CC(C)C1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)[nH]n2)CCC1 1823063606 VJKMEWNMPYNQBL-OAHLLOKOSA-N 429.477 4.043 5 20 IIBD Cc1c(F)cccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823608733 NKJHYLCGDKAPCH-IBGZPJMESA-N 443.475 4.182 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(-c2ccco2)n1CC(C)C 9566538 IOSGXCGCAYBAGS-ZDUSSCGKSA-N 445.501 4.230 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1F 10723344 IXMCIZFBLUQNTA-INIZCTEOSA-N 432.451 4.173 5 20 IIBD O=C(COC(=O)c1cccc([N+](=O)[O-])c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 11026131 YVQLBPOEAMXALA-UHFFFAOYSA-N 436.264 4.428 5 20 IIBD CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 15001117 FDXMDBUHYYGXIJ-UHFFFAOYSA-N 429.782 4.368 5 20 IIBD Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c2)cc1 15408933 VTCSHZVJCMJNPZ-UHFFFAOYSA-N 439.493 4.289 5 20 IIBD CCn1c(SCC(=O)NC(=O)Nc2ccccc2)nc2cc3ccccc3cc2c1=O 18467361 VVSVPVNPZWAXGN-UHFFFAOYSA-N 432.505 4.010 5 20 IIBD C[C@H](OC(=O)CCC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 20751381 SEXVPKRIPQUDCM-NSHDSACASA-N 439.251 4.435 5 20 IIBD CCN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 23138988 USWBDCXSXNHPCP-UHFFFAOYSA-N 443.935 4.217 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(CNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C[C@H](C)O1 60082420 XIZODAFMRVUNDN-KBPBESRZSA-N 437.418 4.475 5 20 IIBD COc1ccc(OCC(=O)N2CCc3cc(-c4csc(C)n4)ccc32)c([N+](=O)[O-])c1 71810853 SOSWWFQXMAMULD-UHFFFAOYSA-N 425.466 4.003 5 20 IIBD O=C(NCc1ccc(OCCOc2ccccc2)nc1)c1cc([N+](=O)[O-])ccc1Cl 71938159 AJTZBONTIKGHKW-UHFFFAOYSA-N 427.844 4.031 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCNC1(c2ccc(Br)cc2)CCC1 72073458 LICCBHDJOIKNTO-UHFFFAOYSA-N 448.317 4.364 5 20 IIBD COc1ccc([C@@H]2CCCN2C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1OC 248127241 GYDGSEGWYAHUKC-SFHVURJKSA-N 425.485 4.190 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCC[C@@H](c2nc3ccccc3o2)C1 301237846 LAUHPJBNMFXQEF-GFCCVEGCSA-N 437.424 4.116 5 20 IIBD COc1ccc(Cl)cc1NC(=O)CCNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 301464849 GYEBWQFZTXGRSO-UHFFFAOYSA-N 441.875 4.463 5 20 IIBD C[C@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)c1ccc(S(=O)(=O)N(C)C)cc1 301892527 VSGPGNRUFMAFAX-HNNXBMFYSA-N 426.498 4.080 5 20 IIBD Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] 301935417 PIBMJSYAWXMSOF-GFCCVEGCSA-N 446.982 4.216 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2nc3c(s2)C[C@H](c2ccccc2)CC3)s1 302217176 PRPVHXUYOLRYHF-CYBMUJFWSA-N 449.579 4.401 5 20 IIBD C[C@@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)Sc1ccc(Br)cc1 303400836 OVJKGMMZMUDSCT-JTQLQIEISA-N 435.303 4.144 5 20 IIBD C[C@@H]1C[C@H](N(C)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 303766386 PUIXJFSKDVMKCU-DENIHFKCSA-N 436.556 4.320 5 20 IIBD COC[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(Cl)cc1 426283089 VTRDGLPJTZDACB-MRXNPFEDSA-N 431.798 4.454 5 20 IIBD Cc1nc(CCNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)sc1C(=O)O 426684116 XJCCVFNKABJYEQ-UHFFFAOYSA-N 431.445 4.322 5 20 IIBD C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1nc(Cc2ccccc2)no1 427221067 XIZIPMJBKBTGTL-QGZVFWFLSA-N 438.487 4.006 5 20 IIBD COc1ccc(-c2noc(CCCC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)n2)cc1 427576431 CMHCCJDQEUVQGT-UHFFFAOYSA-N 436.468 4.167 5 20 IIBD C[C@@H]1Sc2ccccc2N(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)[C@@H]1C 430624394 IEKIMJZVUHBBSP-OLZOCXBDSA-N 441.538 4.404 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSCc1cn(-c2ccc(Cl)cc2)nn1 431315730 ACKOFHAITOPQQP-UHFFFAOYSA-N 445.888 4.060 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)[C@@H](C)[C@H]1OCCc2sccc21)c1ccccc1[N+](=O)[O-] 431687733 QWEDGULMOARCED-XXHMAFKTSA-N 446.525 4.105 5 20 IIBD CC(C)c1[nH]nc(C(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)c1[N+](=O)[O-] 433752334 XJMGDOGYLQQZBM-UHFFFAOYSA-N 429.380 4.244 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@H](C)c3nc(C(C)(C)C)no3)cc2[N+](=O)[O-])C1 437136229 PQUGZBDYVJWZJU-QLFBSQMISA-N 429.521 4.249 5 20 IIBD CC(C)c1ccc(C(=O)N2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1[N+](=O)[O-] 439137881 UHVMHOPGPKGMKJ-JOCHJYFZSA-N 437.496 4.139 5 20 IIBD O=C(NCc1nnc(-c2ccccc2)s1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444220335 BSZMVBRQHZRAHH-UHFFFAOYSA-N 448.454 4.408 5 20 IIBD O=C(CCCCc1ccc(Br)cc1)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444633561 CXEJJASODZUVBJ-UHFFFAOYSA-N 431.290 4.263 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 444895197 BCVSJATXIYXTKV-YJYMSZOUSA-N 436.871 4.210 5 20 IIBD Cc1nc(COc2ccccc2/C=C/c2nc(-c3c([N+](=O)[O-])nc(C)n3C)no2)cs1 445608878 FTKDACRZTNJYNM-CMDGGOBGSA-N 438.469 4.201 5 20 IIBD COc1cc(Cl)ccc1-c1noc(-c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)n1 445686142 ADXUHKPEFZSMJJ-UHFFFAOYSA-N 444.860 4.254 5 20 IIBD Cc1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1C(=O)NC(C)C 446035167 JWPUKETXRQGCMO-UHFFFAOYSA-N 426.292 4.118 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Br)cc2)c(C(F)(F)F)c1 446997075 QICOAQFZXUWHOH-UHFFFAOYSA-N 425.182 4.177 5 20 IIBD Cc1cccc(OC(F)F)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 447008825 WGDPPATXFIWTGB-UHFFFAOYSA-N 437.218 4.068 5 20 IIBD COc1ccc(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1OC1CCCC1 447383963 LFHMAFFMWXKNMZ-UHFFFAOYSA-N 425.485 4.193 5 20 IIBD CCOC1CC(CN[C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)(N2CCOCC2)C1 447571954 LYBMGGXKEDPISI-VVESCEMWSA-N 445.585 4.244 5 20 IIBD COc1ccccc1-c1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1C[C@@H]1CCOC1 461704238 GMLBRVUEXUNCDU-SFHVURJKSA-N 449.511 4.067 5 20 IIBD O=C1[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)CCCN1c1ccc(OC(F)F)cc1 462906876 OUNMNLSDOWANFL-AWEZNQCLSA-N 443.353 4.405 5 20 IIBD CCCC(=O)Nc1nc2ccc(NC(=O)CN(C)c3ccccc3[N+](=O)[O-])cc2s1 463193073 UCESEZRIMXFJEM-UHFFFAOYSA-N 427.486 4.018 5 20 IIBD O=C(Nc1ccc(F)cc1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 463607454 UFLLDVCUHOYSNT-UHFFFAOYSA-N 439.365 4.244 5 20 IIBD CCNc1ccc(C(=O)Nc2ccc(Cc3nnc4n3CCCCC4)cc2)cc1[N+](=O)[O-] 464116936 CBBLGHZLWAXLBY-UHFFFAOYSA-N 434.500 4.188 5 20 IIBD C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464773394 HAUNETLNGWPQDK-AWEZNQCLSA-N 448.317 4.228 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(C2CCCCC2)C1=O 467899177 MFFWLDALQZNPFN-IBGZPJMESA-N 433.574 4.396 5 20 IIBD CCOC(=O)c1ccnc(NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c1[N+](=O)[O-] 471734479 GAWPBRFXMYBYFW-UHFFFAOYSA-N 438.415 4.170 5 20 IIBD COC(=O)COc1ccc(-c2nc3cc(Br)ccc3n2C2CC2)cc1[N+](=O)[O-] 473454712 SABOKTFWIBSITC-UHFFFAOYSA-N 446.257 4.261 5 20 IIBD COc1cc(CCNC(=O)Nc2ccc(C)c(-c3nc(C)co3)c2)c([N+](=O)[O-])cc1OC 477974137 BURQKYNOPYEJKB-UHFFFAOYSA-N 440.456 4.248 5 20 IIBD Cc1ccc(I)cc1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 478373769 WEUMDAHFEPJOTA-UHFFFAOYSA-N 436.209 4.170 5 20 IIBD Cc1ccc(CNC(=O)c2cccc(CNC(=O)NCc3cccc([N+](=O)[O-])c3C)c2)cc1 478771863 NFYURNKPYPETOH-UHFFFAOYSA-N 446.507 4.141 5 20 IIBD Cc1cc(OCC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)c(F)cc1[N+](=O)[O-] 479175701 SQKAVPBDFIKCDI-INIZCTEOSA-N 429.429 4.454 5 20 IIBD O=[N+]([O-])c1ccccc1-c1ccc(CNc2cc(S(=O)(=O)N3CCCC3)ccn2)s1 479754054 MIJDPMOVCWQIHS-UHFFFAOYSA-N 444.538 4.115 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCOc2c(F)cccc21 480107922 XKCOAHXLNMVVNO-KRWDZBQOSA-N 448.472 4.033 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cnn(-c3ccc(C)cc3)c2C(C)C)c([N+](=O)[O-])c1 480216708 LBJQUPGUYDOESE-UHFFFAOYSA-N 430.486 4.022 5 20 IIBD CCOc1cc(CNC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])ccc1OC(F)F 482935433 ZGIMDSSSDOKNPY-UHFFFAOYSA-N 442.440 4.255 5 20 IIBD COC(=O)[C@@](C)(NC(=O)c1cc(SC)ccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 484347576 HBZVFUWWMTUSKH-SFHVURJKSA-N 443.308 4.442 5 20 IIBD CN(C(=O)[C@H]1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1)c1ccccc1 485404118 DXJNPUWRAKNMQH-IBGZPJMESA-N 432.480 4.058 5 20 IIBD Cc1cc(C)c(NC(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1Br 486392727 HPHAZROLSXOYIE-UHFFFAOYSA-N 448.317 4.052 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@H](C)[C@@H](OC)c2ccc(Cl)cc2)c(C)c([N+](=O)[O-])c1 486875535 WAFQMFDTDXBIAD-KZULUSFZSA-N 435.864 4.241 5 20 IIBD O=C(N[C@@H]1CS(=O)(=O)c2ccccc21)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 487714788 AUBSLFFYEHPSIH-LJQANCHMSA-N 440.502 4.004 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cc(Cl)ccc1OC[C@H]1CCCCO1 488201979 PVWLISRUPOIILS-MRXNPFEDSA-N 449.891 4.255 5 20 IIBD C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 488532998 XXRVZJDUIRNSLB-CALCHBBNSA-N 447.495 4.151 5 20 IIBD CC(C)N(Cc1ccccc1F)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 488820543 HBGCGHDUJSLLIS-UHFFFAOYSA-N 431.283 4.096 5 20 IIBD CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 489457866 CLTHVYKVDQLOCC-OAHLLOKOSA-N 441.513 4.213 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1c(F)cccc1OC(F)F 489955692 JSHPWQOJAXONSF-UHFFFAOYSA-N 430.404 4.004 5 20 IIBD O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1ccc(Br)cc1[N+](=O)[O-] 490247060 POFCYOACHNDUEO-LLVKDONJSA-N 442.672 4.159 5 20 IIBD CC(C)(NC(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1ccccc1[N+](=O)[O-] 490390025 OJKSOBDAMMILAG-NFBKMPQASA-N 429.492 4.042 5 20 IIBD COc1c(F)cc(S(=O)(=O)N(C)[C@H](C)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 490681945 OFWDMINCMCILRN-SNVBAGLBSA-N 436.383 4.143 5 20 IIBD CC(C)(C)OC(=O)c1ccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c(F)c1 490916198 WJHRGKZSPIAIII-UHFFFAOYSA-N 426.404 4.127 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC2(CC1)OCCc1ccsc12 492947295 AQLBFHUPNIPOMG-ZDUSSCGKSA-N 435.933 4.201 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1[N+](=O)[O-] 493237378 MTXRMEPPMMSLCT-HNNXBMFYSA-N 428.464 4.164 5 20 IIBD COc1ccc(C(=O)C2CCN(C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 493250657 DRDXDHMMRHQKCI-MRXNPFEDSA-N 425.485 4.277 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NCc1cccnc1OC1CCCC1 494242458 SHZJMHCCKAEBEJ-UHFFFAOYSA-N 438.406 4.329 5 20 IIBD CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)cc1[N+](=O)[O-] 501194185 IQEYKNYTZJYHED-UHFFFAOYSA-N 444.440 4.218 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(COC2CCOCC2)cc1 502081438 YDNOBVBVGHVXRN-MRXNPFEDSA-N 430.526 4.087 5 20 IIBD Cc1ccc(-c2csc(C[S@@](=O)Cc3cc([N+](=O)[O-])cc4c3OCOC4)n2)cc1 505714669 SUBRBMMVGFXXNL-LJAQVGFWSA-N 430.507 4.342 5 20 IIBD O=C(Nc1ccccc1O)C1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 506137744 PTSFLZCWZKVZLH-UHFFFAOYSA-N 438.509 4.275 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(OCCc2ccccc2)c1 506201691 WJIQEKBIDJJEPE-FQEVSTJZSA-N 437.500 4.087 5 20 IIBD O=C(c1ccc2c(c1)oc1ccccc12)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 506450651 GHSITRKPPYEGSN-UHFFFAOYSA-N 435.461 4.154 5 20 IIBD COC(=O)C(C)(C)CCN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 506660613 CCKZWJJBCJMDCQ-SFHVURJKSA-N 433.892 4.107 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1ccccc1Sc1ccccc1 506680880 NBRXALMEPOGIFO-UHFFFAOYSA-N 435.505 4.386 5 20 IIBD C[C@H]1CCCN(C(C)(C)CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 507514741 ZLPDNTCOZLUJJD-ZWKOTPCHSA-N 439.560 4.403 5 20 IIBD COc1ccc(F)cc1NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 508989825 BATZYDPPEBIHAC-UHFFFAOYSA-N 425.203 4.487 5 20 IIBD COc1ccc(CCNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1OC(F)F 509697352 LUAOFZSUWDHCMY-UHFFFAOYSA-N 437.443 4.368 5 20 IIBD COc1ccc(C)cc1C1(CNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)CCOCC1 510147502 ZHGHKSNXFIHWDC-UHFFFAOYSA-N 430.526 4.112 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1 511441301 BVLZNRZNGFAKQO-MRXNPFEDSA-N 427.526 4.269 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 518834977 PFTGICQLKGUYMY-STQMWFEESA-N 446.891 4.177 5 20 IIBD CCNc1ccc(C(=O)Nc2ccc3c(ccn3CC(=O)N(CC)CC)c2)cc1[N+](=O)[O-] 522176290 YLHUJTNXVPEHMT-UHFFFAOYSA-N 437.500 4.102 5 20 IIBD C[C@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1Oc1ccccc1 523488284 JBZRNORKNDHNLY-SFHVURJKSA-N 447.495 4.375 5 20 IIBD CCO[C@H]1C[C@@H](NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C12CCC2 525521594 KIVGGODJHZXVFH-CVEARBPZSA-N 439.299 4.165 5 20 IIBD CCc1ccc([C@H](COC)NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)o1 525550714 IAHZISHYVBTIDI-YWZLYKJASA-N 438.484 4.436 5 20 IIBD CCc1ccc(Cl)c(CC)c1NC(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 530904285 KPLFYRVSYWFINN-UHFFFAOYSA-N 443.887 4.388 5 20 IIBD COc1cccc(C[C@@H]2CCCN2c2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)c1 531142770 MXNCNTCTKJDRQL-SFHVURJKSA-N 440.887 4.014 5 20 IIBD Cc1cccc(C)c1NC(=O)[C@H](C)[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534062701 XRONLKFPSSYEKD-JGVYIQDASA-N 427.482 4.143 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 535649004 ACWSMGIOVUGOAV-UHFFFAOYSA-N 447.495 4.035 5 20 IIBD COc1cc(CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C2CC2)ccc1OC(F)F 536244354 PDQKAISVOBZZQB-UHFFFAOYSA-N 445.422 4.420 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(C(=O)NC2CCCCC2)CC1 537134161 RYMXGXHOHZQUFL-UHFFFAOYSA-N 448.589 4.332 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2n[nH]c(C)n2)c(Cl)c1 537210506 HDUYLZGLQVSCAX-UHFFFAOYSA-N 447.904 4.333 5 20 IIBD C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H]3CCO[C@H]3c3ccc(F)c(F)c3)cc2[N+](=O)[O-])C1 537313850 JIYWFEMJGZMZBI-WTGRHJARSA-N 445.466 4.369 5 20 IIBD C[C@@H]([C@@H](C)N(C)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)S(C)(=O)=O 537625063 HXRIMOQNCJSBEF-KGLIPLIRSA-N 426.922 4.294 5 20 IIBD Cc1cc(I)cnc1NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C 538811221 CBXBRNBUODTNOR-UHFFFAOYSA-N 425.226 4.080 5 20 IIBD Cc1cc(OCC(=O)O)ccc1NC(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 539572928 IMPFUNSPLIBULY-GASCZTMLSA-N 441.484 4.101 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 539745623 VKLFPHHJFOKSHY-MRXNPFEDSA-N 434.500 4.329 5 20 IIBD C[C@@H](C(=O)Nc1cccc(NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1)n1cccn1 539922320 GLPDGJUPJVYSRA-INIZCTEOSA-N 445.483 4.004 5 20 IIBD C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1cccc(N2CCCC2)c1 540477394 CFPUAQOISHVOSS-AWEZNQCLSA-N 447.333 4.247 5 20 IIBD CCc1ccc([C@@H](NCc2ccc(CN3CCN(C)CC3)cc2)c2ccc([N+](=O)[O-])cc2)o1 541546291 CXBGOVDMXWCWQI-SANMLTNESA-N 448.567 4.377 5 20 IIBD C[C@H](C(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])cc1F 541592008 BNKMBHVZZSDWDK-HKMRUAMVSA-N 437.874 4.439 5 20 IIBD CC[C@H](Sc1ccccc1)C(=O)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 542773459 ZNCNMCNWLDDDSD-FQEVSTJZSA-N 439.541 4.081 5 20 IIBD C[C@@H](NC(=O)NCCc1c[nH]c2ccc(Br)cc12)c1ccccc1[N+](=O)[O-] 544101196 NXBDNGUPKGUAHK-GFCCVEGCSA-N 431.290 4.442 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F 544413495 CYUVWWVERJORCP-SOZUMNATSA-N 439.281 4.492 5 20 IIBD O=C1CCCN1Cc1ccccc1-c1noc(-c2cc(Br)cc([N+](=O)[O-])c2)n1 545577125 YPBBEYXQUTYSIY-UHFFFAOYSA-N 443.257 4.197 5 20 IIBD CCO[C@@H]1C[C@@H](NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)[C@]12CCCO2 546057275 XATAECWPNUJDCT-KCZVDYSFSA-N 428.510 4.202 5 20 IIBD C[C@@H]1CCCN1C(=O)c1ccc(-c2noc(-c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)n2)cc1 546557380 BCTVBGGGAWMRFM-OAHLLOKOSA-N 444.451 4.122 5 20 IIBD O=[N+]([O-])c1cc2c(NC3CCN(Cc4coc(-c5ccccc5)n4)CC3)ncnc2s1 553376526 QKKCRKXHVBEAQT-UHFFFAOYSA-N 436.497 4.331 5 20 IIBD O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1n[nH]c2ccc([N+](=O)[O-])cc12 557174213 VUJYNYBKFXVJOT-GOSISDBHSA-N 448.401 4.388 5 20 IIBD CC(C)(C)N1CC[C@@](F)(c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)C1 561402747 KUWVZXOSTJVOGG-KRWDZBQOSA-N 427.274 4.000 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cc(OC)c(OC)cc1Br 565275352 IEINQYKBJGWQEV-UHFFFAOYSA-N 438.278 4.259 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)C(c1ccccc1)c1ccccc1 570892771 VOLZDQKEAVTFTN-KRWDZBQOSA-N 431.492 4.433 5 20 IIBD CCN(C(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@H](C)c1cc2ccccc2o1 571590466 YSHZVIVRJRKAQF-QGZVFWFLSA-N 437.496 4.390 5 20 IIBD CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cc([N+](=O)[O-])cc(Br)c1C 573226067 VLZLPFHYVGPGIH-UHFFFAOYSA-N 448.317 4.465 5 20 IIBD CSc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)N(C)C)cc1 579518513 PJJPBQICDCNMIU-QGZVFWFLSA-N 427.448 4.368 5 20 IIBD Cc1cnn([C@H]2CCN([C@H](C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c3ccccc3)C2)c1 580261760 WBKXRVHMGJNOJP-RXVVDRJESA-N 439.903 4.380 5 20 IIBD CSc1nc(C)c(CCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)c(O)n1 590648067 JZSGBTHQFCMMIQ-UHFFFAOYSA-N 445.526 4.124 5 20 IIBD Cc1cc(NC(=O)CS[C@H](C)c2nc3ccccc3[nH]2)n(-c2ccc([N+](=O)[O-])cc2)n1 590771527 PQFFWNFIYBXJDY-CQSZACIVSA-N 436.497 4.398 5 20 IIBD Cc1nn(-c2ccc(C(=O)N(C)Cc3ccccc3[N+](=O)[O-])cc2)c(C)c1Br 603568980 JZNZFRKIHYPOBF-UHFFFAOYSA-N 443.301 4.432 5 20 IIBD Cc1ccc(S(=O)(=O)N(C)CCCCCc2cc(-c3ccccc3)n[nH]2)cc1[N+](=O)[O-] 604127317 UCNUGXICIVYFFH-UHFFFAOYSA-N 442.541 4.327 5 20 IIBD O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 604475100 QDQYHXLRCPSHJU-INIZCTEOSA-N 434.443 4.230 5 20 IIBD O=C(c1cc2ccccc2c2cccnc12)N1CCN(c2ncnc3ccsc23)CC1 607529255 ULFFJHZZHRHTKL-UHFFFAOYSA-N 425.517 4.355 5 20 IIBD O=C(N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1cc2cc([N+](=O)[O-])ccc2s1 609608937 DOWCXIVLDIPBAK-OAHLLOKOSA-N 449.410 4.364 5 20 IIBD Cc1nc([C@@H]2CCCCN2C(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)no1 609975737 RXFZYOSODVQMOP-KHYOSLBOSA-N 427.505 4.136 5 20 IIBD O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCc2sccc2[C@@H]1c1cccs1 610923695 WRGXQSGTKUIOJH-LJQANCHMSA-N 437.506 4.086 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccn(-c4ncccc4F)n3)cc2[N+](=O)[O-])C1 611163795 JUIBZVMRHCVQTK-GASCZTMLSA-N 438.463 4.049 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(OCc2ccccc2F)cc1 619467319 ZXJXAHIIQHWUGK-UHFFFAOYSA-N 432.429 4.122 5 20 IIBD CCOC(=O)CC[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)C)C1 619848325 JNKXRNFJFYOJFC-KRWDZBQOSA-N 429.521 4.069 5 20 IIBD CC(C)c1nc(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cs1 726526580 KMQUERFSMWWJEA-INIZCTEOSA-N 431.514 4.417 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(CC[C@@H](O)c3ccccc3)cc2)c([N+](=O)[O-])c1 727359852 ATFSLRXESZEOQU-OAQYLSRUSA-N 442.493 4.070 5 20 IIBD CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F 730457253 XKRDLNPTEZFJLS-LLVKDONJSA-N 444.481 4.176 5 20 IIBD O=C(Nc1nc(-c2ccco2)cs1)c1ccc(I)c([N+](=O)[O-])c1 730477223 KWXCWHIERXASOG-UHFFFAOYSA-N 441.206 4.168 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl 730965057 MJIGDTPDSRDSML-UHFFFAOYSA-N 442.209 4.047 5 20 IIBD O=C(OCc1nc(-c2ccc(Br)s2)no1)c1cc2cccc([N+](=O)[O-])c2[nH]1 734030271 XCACGXHHRIFHQS-UHFFFAOYSA-N 449.242 4.307 5 20 IIBD COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1c(F)cccc1[N+](=O)[O-] 734921861 FCJMCEFCLUKYCV-SFHVURJKSA-N 434.420 4.052 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)OC(=O)c3cc(O)nc4ccc([N+](=O)[O-])cc34)n2)cc1F 735355871 WNRFOQLMSPCQKJ-LLVKDONJSA-N 438.371 4.264 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)NC[C@@H](O)c1ccco1 735586186 LJTRZQUWCJVDDO-MRXNPFEDSA-N 449.822 4.305 5 20 IIBD COC[C@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 735638232 GJHIIUYQFNWLON-AWEZNQCLSA-N 447.207 4.494 5 20 IIBD C[C@@H](OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(=O)Nc1cccc(Br)c1 736864438 UHBZGXMPYRBWSU-SECBINFHSA-N 427.638 4.195 5 20 IIBD Cc1ccccc1[C@@H]1C[C@@H](C)N(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)C1 737414491 JVULVSWCZDGWBP-QZTJIDSGSA-N 429.542 4.070 5 20 IIBD COc1cc(N2CCC(OC(=O)c3ccc(C(F)(F)F)nc3C)CC2)ccc1[N+](=O)[O-] 739367965 AJZQVGRXAHXSCN-UHFFFAOYSA-N 439.390 4.151 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1ccccc1C(=O)N(C)CCc1ccccc1 741947862 XMQQFJPSMYEHQC-UHFFFAOYSA-N 447.491 4.195 5 20 IIBD Cc1c(C(=O)OCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])oc2c1ccc1ccccc12 744148476 MTXUHRWCCVSFEU-UHFFFAOYSA-N 433.420 4.170 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 744384470 XQAZFPGMUCRSGS-UHFFFAOYSA-N 435.392 4.121 5 20 IIBD Cc1ccc(Nc2nc(COC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)cs2)cc1 747682004 OEZIUTNTPMRDEI-UHFFFAOYSA-N 436.453 4.041 5 20 IIBD C/C(=C/C(=O)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(C(F)(F)F)cc1 748389232 IUCZPJOSRQDWLI-RAXLEYEMSA-N 434.370 4.149 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)Cc2cc(Cl)ccc2Cl)c([N+](=O)[O-])c1 748391625 OMEMAIKYDRZAPR-UHFFFAOYSA-N 427.240 4.025 5 20 IIBD Cc1ccc(Br)cc1NC(=O)CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 749189069 TVMQOZGZQFQFFM-UHFFFAOYSA-N 441.669 4.079 5 20 IIBD COc1ccc(OCCN(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cc1 749409442 BNQCRFFLFGKTKA-UHFFFAOYSA-N 443.681 4.170 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 750576537 DZBJARQMCNUIBI-AEFFLSMTSA-N 446.548 4.103 5 20 IIBD C[C@@H]1CN(Cc2ccccc2NC(=O)c2cc([N+](=O)[O-])ccc2Br)C[C@@H](C)O1 751091462 VPKHEXMOIFBLDW-ZIAGYGMSSA-N 448.317 4.219 5 20 IIBD O=C(N[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1)c1cc(F)ccc1[N+](=O)[O-] 751369737 VQBWKLYUSVNIDT-INIZCTEOSA-N 435.411 4.062 5 20 IIBD C[C@H](OC(=O)c1ccc(N(C)C)cc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 751892082 AURIQEMUTIFVEV-JTQLQIEISA-N 443.353 4.003 5 20 IIBD Cc1ccc(NC(=O)COC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c(Br)c1 755051919 AYKULHHABSXOBD-NSHDSACASA-N 439.237 4.090 5 20 IIBD Cc1cc(NC(=O)c2csc([N+](=O)[O-])c2)ccc1N(C)C(=O)c1csc([N+](=O)[O-])c1 757706037 NHZXORAGCYDCER-UHFFFAOYSA-N 446.466 4.463 5 20 IIBD CC(C)(C)OC(=O)N1CCC(n2cc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cn2)CC1 758684836 QQRMKKWEQAIIEN-UHFFFAOYSA-N 449.895 4.269 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)O[C@@H](C)c2noc(C)n2)cc1[N+](=O)[O-] 759498211 SVCKBTGPFZQODH-NSHDSACASA-N 427.438 4.157 5 20 IIBD Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)NCCc1cccc([N+](=O)[O-])c1 759991684 MZSWIYDSTGHUDS-UHFFFAOYSA-N 427.844 4.374 5 20 IIBD CN(C(=O)c1ccco1)c1ccccc1C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760514556 IUWYWAHFXXNDOG-UHFFFAOYSA-N 447.403 4.476 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 764200656 YOYZSPYCFNANRF-LJQANCHMSA-N 431.533 4.369 5 20 IIBD CC(C)(C)[S@](=O)CCNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 764231647 DXQNREXCNMOZEP-GDLZYMKVSA-N 437.949 4.137 5 20 IIBD O=C(Cc1noc(-c2n[nH]c3ccc([N+](=O)[O-])cc23)n1)Nc1ccc(SC(F)F)cc1 770936695 GFDGVOYPPCNSAE-UHFFFAOYSA-N 446.395 4.017 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)O[C@@H](C)C(=O)N(C)c2ccccc2)CC1 772445427 CCFDANJAGASHDZ-KRWDZBQOSA-N 425.485 4.039 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)CCN(c1ccc([N+](=O)[O-])c(OC(F)F)c1)C2 773249569 YMGNVBLQFSXPFK-UHFFFAOYSA-N 427.448 4.424 5 20 IIBD O=C(Cc1csc(-c2cccc(F)c2)n1)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 778775256 AJZZFQQHHBCJSP-IBGZPJMESA-N 427.457 4.222 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(CC(=O)O[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)cc1 778798311 RALYWOGULMSILC-HXUWFJFHSA-N 441.484 4.306 5 20 IIBD CC1(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCN(C(=O)OC(C)(C)C)CC1 779586750 KNKBUROLERJAND-UHFFFAOYSA-N 434.537 4.006 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1sc2c(c1C(=O)C1CC1)CCC2 782910976 AZSYNKKOEUIYMT-UHFFFAOYSA-N 429.454 4.217 5 20 IIBD O=C(Nc1ccccc1SC(F)(F)F)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 783297312 DRCIQFUUQSIETI-UHFFFAOYSA-N 439.415 4.336 5 20 IIBD COc1ccccc1[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 783319699 IHVQWHKTPBDXGY-HXUWFJFHSA-N 439.855 4.101 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N(Cc2ccccc2)CC(C)C)cc1[N+](=O)[O-] 784694090 HKMLIGIMNKYTPW-UHFFFAOYSA-N 448.317 4.289 5 20 IIBD C[C@@H]1CSc2ccc(Cl)cc2N(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 784751063 ZSMCKPPKELAERN-AWEZNQCLSA-N 447.944 4.473 5 20 IIBD COCc1noc([C@@H](C)OC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)n1 785035431 LZOOVKQICCRIHY-GFCCVEGCSA-N 446.847 4.308 5 20 IIBD C[C@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 785954909 SAZGJBYIAIXJIO-JTQLQIEISA-N 432.776 4.053 5 20 IIBD O=C(OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]1c1ccc(Cl)s1 786403805 AZXWHSHAHYKBJG-NWANDNLSSA-N 434.901 4.261 5 20 IIBD CC(C)(C)C(=O)NC1CCC(C(=O)OCc2ccc([N+](=O)[O-])cc2Br)CC1 789212555 KRIXBNPYZUVWSD-UHFFFAOYSA-N 441.322 4.122 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 790278062 YWZPASRIPROMIL-JTQLQIEISA-N 432.786 4.092 5 20 IIBD C[C@H](NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)c1cccc(F)c1F 790802783 RAXUUCBXISVQMS-JTQLQIEISA-N 440.244 4.464 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CCOc2c(Br)cccc2C1 791813104 ZQOSQEJZSFLKRQ-UHFFFAOYSA-N 426.654 4.437 5 20 IIBD CC(C)(C)OC(=O)NCc1ccccc1OS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] 795984702 MIHRNIRHXLKFPI-UHFFFAOYSA-N 442.877 4.041 5 20 IIBD CC(C)(C(=O)OCc1nnc(-c2ccc(Br)cc2)o1)c1ccccc1[N+](=O)[O-] 796439913 PHYGMIMRKYBDSF-UHFFFAOYSA-N 446.257 4.428 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 796973620 QPIRGVWRMZELER-ZLIFDBKOSA-N 447.454 4.022 5 20 IIBD CC(C)(C)OC(=O)NCC1(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CCCC1 798292016 SNVWFNUTDNXHSD-UHFFFAOYSA-N 440.500 4.224 5 20 IIBD O=C(c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O)N(CCc1cccc(F)c1)C1CC1 798293420 KLKUMMVKXOYQIK-UHFFFAOYSA-N 444.850 4.126 5 20 IIBD C[C@@H](OC(=O)Cc1ccc(Cl)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 801483379 RCUXGJHYXQHHJT-MRVPVSSYSA-N 436.795 4.441 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 802049840 UZVZKYMOBWVBPZ-HXUWFJFHSA-N 441.919 4.477 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 804521135 MTAFZRIJOQIXLN-HNNXBMFYSA-N 435.666 4.477 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)c2ccc(SCC(=O)N(C)C)cc2)c1 809068880 PFQGSBRROFNSIP-CYBMUJFWSA-N 434.539 4.415 5 20 IIBD CC(=O)Nc1c(OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)n(C)c2c(C)cccc12 809374990 YCQVYFUONSMQMR-UHFFFAOYSA-N 430.848 4.024 5 20 IIBD CC[C@H]1[C@H](c2nc(Cc3ccc([N+](=O)[O-])c(OC)c3)no2)CCN1C(=O)OC(C)(C)C 810303020 STGYXBGBQSOSNS-CABCVRRESA-N 432.477 4.080 5 20 IIBD CC[C@H](NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C(C)(C)c1ccccc1 810397972 DOSLOTAUZAEDHX-KRWDZBQOSA-N 448.317 4.168 5 20 IIBD C[C@@H](OC(=O)[C@H](C)c1cccc(Br)c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 812613257 ZUXJIKAEPABOHE-GHMZBOCLSA-N 439.237 4.170 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 813153033 OIRVYQDASCXHIU-MNOVXSKESA-N 432.304 4.277 5 20 IIBD O=C(O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)c1cccc(Oc2nccs2)c1 813170246 AESDZFYOXASWLR-IBGZPJMESA-N 425.466 4.275 5 20 IIBD COC(=O)[C@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccc(OC)c(Cl)c1 813178428 FBYFIYUJFWXLSX-CQSZACIVSA-N 447.658 4.208 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C1(NC(=O)OC(C)(C)C)Cc2ccccc2C1 813291679 YQPCCFJJOIMXDS-UHFFFAOYSA-N 425.485 4.158 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)Nc1ccc(Br)cc1 815512458 WNSMGKNVOUCLDW-UHFFFAOYSA-N 447.163 4.172 5 20 IIBD O=C(OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(-c2ccc(F)cc2)s1 857096391 LUDOBNHNBAQLCH-UHFFFAOYSA-N 426.425 4.209 5 20 IIBD O=C(CCc1nc(-c2cccc(OCc3cccnc3)c2)no1)c1cccc([N+](=O)[O-])c1 904503355 QTHHWSJWKPPHFE-UHFFFAOYSA-N 430.420 4.434 5 20 IIBD O=C(OCc1nc2ccccc2c2ccccc12)c1ccc(=O)n(-c2ccc(F)cc2)n1 915025024 ATQBWYIQWZITAT-UHFFFAOYSA-N 425.419 4.430 5 20 IIBD CC(C)[C@@H](OC(=O)CCOc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc2ncccc12 915448254 MJVZKUJARXDBEG-JOCHJYFZSA-N 437.452 4.118 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1cccc(COCC(F)(F)C(F)F)c1 916477953 NZPPADBBNGFZBZ-UHFFFAOYSA-N 440.353 4.000 5 20 IIBD COc1ccc(OC(=O)c2cnn(-c3ccc(Br)cc3)c2C)c([N+](=O)[O-])c1 916987697 VDECJRBVJMMXOO-UHFFFAOYSA-N 432.230 4.079 5 20 IIBD CC[C@@H](C)c1ccc(C(=O)COC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cc1 918032157 GEYXELYSYUJRMK-OAHLLOKOSA-N 449.463 4.002 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc(OC)c(NC(=O)OC(C)(C)C)c1 918032364 ZTOXFLHAWABPSR-UHFFFAOYSA-N 446.460 4.281 5 20 IIBD O=C(COC(=O)CCCOc1cccc(Cl)c1Cl)Nc1cc([N+](=O)[O-])ccc1F 921217508 ORXWCAVQMACXKM-UHFFFAOYSA-N 445.230 4.382 5 20 IIBD CCc1cc(C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)nn1C 1116523700 HNCOOEFDQBLXNV-IBGZPJMESA-N 442.859 4.081 5 20 IIBD CCCCCn1nc(-c2nnc(CN(C)c3ccccc3[N+](=O)[O-])o2)c2ccccc2c1=O 1257657160 UJERRVDPJJWMPZ-UHFFFAOYSA-N 448.483 4.181 5 20 IIBD Cc1c(I)cccc1NC(=O)CSc1ccccc1[N+](=O)[O-] 1320027356 WJAPJVINNZPCHF-UHFFFAOYSA-N 428.251 4.239 5 20 IIBD O=C(CO[C@@H]1CCOC1)Nc1cc([N+](=O)[O-])ccc1Nc1cccc(C(F)(F)F)c1 1322310717 JHDPBJXBQJRZLM-OAHLLOKOSA-N 425.363 4.101 5 20 IIBD COc1ccc(-c2nnc(N(Cc3ccccc3[N+](=O)[O-])C3CC3)n2C[C@H]2CCOC2)cc1 1324252171 SAWGFISVZMEBCR-QGZVFWFLSA-N 449.511 4.067 5 20 IIBD CCN1C(=S)N[C@H](c2csc(C(C)C)n2)C(C(=O)Nc2cccc([N+](=O)[O-])c2)=C1C 1338741104 BRQAPBDFFBGDLH-QGZVFWFLSA-N 445.570 4.339 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H]1c1nnc(-c2cc(-c3ccccc3)on2)o1 1345887936 CHCBRHIZEVCFAE-AWEZNQCLSA-N 437.437 4.339 5 20 IIBD Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4nc[nH]c4[N+](=O)[O-])CCC3)cc2)cc1 1791342176 FYZBZQQAQSYZQK-UHFFFAOYSA-N 447.495 4.007 5 20 IIBD O=C(NC1(c2ccc(NC(=O)C34CC(C3)C4)cc2)CCC1)c1cc([N+](=O)[O-])cc2c1OCC2 1792035425 HLUILJOCHCSFGA-UHFFFAOYSA-N 447.491 4.078 5 20 IIBD CCC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(F)c3[N+](=O)[O-])[nH]n2)CCC1 1818950637 BSXIACMKRJUQHG-QGZVFWFLSA-N 443.479 4.343 5 20 IIBD CC1(C)CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(F)cc([N+](=O)[O-])c3)[nH]n2)C1 1822476179 ZUVFGDRJTXGZAM-GOSISDBHSA-N 443.479 4.199 5 20 IIBD CC1(C(=O)N2CCCC23CN(C(=O)c2cc4cc([N+](=O)[O-])ccc4s2)C3)CCCC1 1841118148 QPXHFUFSBBXSCZ-UHFFFAOYSA-N 427.526 4.207 5 20 IIBD CCCn1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nnc1-c1ccncc1 9667053 HRTZDOFWUSTLMK-GFCCVEGCSA-N 446.920 4.431 5 20 IIBD CNc1ccc(C(=O)O[C@@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)cc1[N+](=O)[O-] 9924135 FXKNHBOUVLFLOA-OAQYLSRUSA-N 435.436 4.182 5 20 IIBD CN(C(=O)CSc1nnc(-c2ccc(OC(F)F)cc2)o1)c1ccc([N+](=O)[O-])cc1 11324640 YPDMTHTZZGLDHV-UHFFFAOYSA-N 436.396 4.001 5 20 IIBD Cc1c(C(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)cccc1[N+](=O)[O-] 16016843 VXRGSGDOHKLTLG-UHFFFAOYSA-N 431.514 4.109 5 20 IIBD C[C@H](OC(=O)/C=C/c1cccs1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 20817095 ZSLPDYMYPCXIHV-GUOLPTJISA-N 429.479 4.363 5 20 IIBD Cc1ccc(-c2csc(NC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)n2)cc1 26767543 KSPFTVOIAAUJTL-UHFFFAOYSA-N 438.465 4.354 5 20 IIBD O=C(Cc1csc(COc2ccc(Cl)cc2)n1)N1CCc2cc([N+](=O)[O-])ccc21 57837508 YCOMPXPCLAORIM-UHFFFAOYSA-N 429.885 4.416 5 20 IIBD CC[C@H](c1ccccc1)c1nnc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)s1 78609778 LPVVYXJGFNWXFB-MRXNPFEDSA-N 434.481 4.426 5 20 IIBD O=C(NC1CCN(C(=O)c2ccco2)CC1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 107927486 JMZKOAGLJAODAB-UHFFFAOYSA-N 435.436 4.015 5 20 IIBD CN(Cc1ccc(Br)cc1Cl)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O 302736477 WWFOEWJQSFDLEE-UHFFFAOYSA-N 433.711 4.051 5 20 IIBD COCCN(Cc1cc(Br)cs1)C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 427736369 WTXJCRQOAYVOMM-UHFFFAOYSA-N 443.319 4.025 5 20 IIBD COC(=O)C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(Cl)cc1 430648478 ZENQBICNUWDXGZ-AWEZNQCLSA-N 441.665 4.045 5 20 IIBD O=C(Nc1ccnc(Oc2ccc(F)cc2F)c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 433756546 FVVXWDDCYPSRJY-UHFFFAOYSA-N 444.398 4.126 5 20 IIBD O=[N+]([O-])c1ccc2oc(CN3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)nc2c1 434837682 UXCXJGSEXNOADL-UHFFFAOYSA-N 441.797 4.125 5 20 IIBD C[C@H](NC(=O)C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 436913262 UVQAHIWKNAQUFI-KSFYIVLOSA-N 433.464 4.039 5 20 IIBD O=C(Nc1ccc(COc2ccccc2)cc1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 437066595 TVQIKIUGGAOUOK-UHFFFAOYSA-N 445.475 4.304 5 20 IIBD O=C(CCn1cnc2ccc([N+](=O)[O-])cc2c1=O)Nc1ccc(Oc2ccccc2)cc1 438779375 FNWDJZIRRQZNEF-UHFFFAOYSA-N 430.420 4.126 5 20 IIBD CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)Nc1ccc([N+](=O)[O-])cc1OC 444892110 AVRBJIUHVFSLLR-UHFFFAOYSA-N 445.863 4.350 5 20 IIBD CC(=O)N[C@@H](CC(=O)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])c1cccs1 446426027 NPLVHSNKVAOFJR-IBGZPJMESA-N 439.493 4.441 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1ccc(Br)cc1)C(C)C 446899485 RMCIAGPGFLDTTM-UHFFFAOYSA-N 434.290 4.041 5 20 IIBD CCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)cc1Cl 446986779 LBLYZJGLZJMKHP-UHFFFAOYSA-N 435.683 4.210 5 20 IIBD C[C@@]1(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)OCCc2sccc21 460972649 JAHZWTZPPOZDJZ-QHCPKHFHSA-N 440.471 4.239 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 462762906 CJFTYYQKBIKRHA-UZLBHIALSA-N 434.439 4.365 5 20 IIBD CCOc1ccc(-c2noc(CCC(=O)Nc3ccc([N+](=O)[O-])c4ncccc34)n2)cc1 463133202 FBSGVYGXFASBKZ-UHFFFAOYSA-N 433.424 4.163 5 20 IIBD O=C(c1ccccc1)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1 463526075 DUIOZEYYTWVUQV-UHFFFAOYSA-N 433.445 4.175 5 20 IIBD CCCN([C@@H](C)c1ccccc1OC)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 463692501 YKSIKPOXJKFKII-HNNXBMFYSA-N 429.498 4.314 5 20 IIBD Cc1ccc(NCCCNC(=O)N[C@@H](C)c2nc(C3CCCCC3)no2)c([N+](=O)[O-])c1 465992733 VFJWKRWEDYQQMD-HNNXBMFYSA-N 430.509 4.196 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@]1(C)CCCS1 467779453 AHASNVJJIQFTSX-IBGZPJMESA-N 437.543 4.102 5 20 IIBD COc1cc(CN[C@@H]2[C@@H](C)CN(Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F 469783665 PMWPWUHVNPARIN-BRLLKYFNSA-N 449.498 4.451 5 20 IIBD COC(=O)[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)[C@H]1C 470052936 FSFYKWXWMNXFKQ-SWLSCSKDSA-N 448.859 4.073 5 20 IIBD Cc1cc(-c2noc([C@@H](C)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)ccc1F 472367495 HXNCLFMOQIKDGY-CQSZACIVSA-N 439.447 4.184 5 20 IIBD COC(=O)COc1ccc(/C=C(\CCC(=O)O)c2nc3ccccc3s2)cc1[N+](=O)[O-] 473494199 ZKUODOYRGAEHOP-GXDHUFHOSA-N 442.449 4.162 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2cc3cccc(F)c3o2)cc1OC 475746354 ALRGFULLXFVQGZ-GFCCVEGCSA-N 432.404 4.005 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccc([S@@](C)=O)c(F)c2)cc1[N+](=O)[O-])c1ccccn1 477789726 LRKFLBIKPVYKCB-CQMWEUJXSA-N 442.472 4.292 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)c1[N+](=O)[O-] 480182237 PETLQCXNQYKCLX-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD COc1ccc(CN(CCc2ccccn2)c2ncc([N+](=O)[O-])cc2Br)cc1 480856476 ZKFXLCHZCBKEJK-UHFFFAOYSA-N 443.301 4.405 5 20 IIBD CCN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H](c1cccnc1)c1csc2ccccc12 481001263 RTOSILQBMSCFNR-QFIPXVFZSA-N 435.509 4.429 5 20 IIBD COC(=O)C[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(C(F)(F)F)cc1 481613263 OSOUBFFAVWUWRB-AWEZNQCLSA-N 441.362 4.048 5 20 IIBD CCOc1ccc(-c2nc(Cn3cc([N+](=O)[O-])c(=O)c4ccccc43)cs2)cc1OC 487885382 HFARAKHPVWLZEC-UHFFFAOYSA-N 437.477 4.489 5 20 IIBD COc1cc(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1OCc1cscn1 488052687 SKUVQUPWMAEFOE-CQSZACIVSA-N 427.482 4.438 5 20 IIBD CN(Cc1ccccc1)c1ccccc1NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 488378195 IVIVXSZECQRFQX-UHFFFAOYSA-N 434.500 4.297 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CC=C(c2ccc3c(c2)OCCO3)CC1 488382806 ITLYGQBEYVENMG-UHFFFAOYSA-N 443.887 4.061 5 20 IIBD CCn1c(S[C@@H](C)C(=O)c2ccc(OC)c(OC)c2)nnc1-c1ccc([N+](=O)[O-])cc1 489400573 HXBIQJUXFIDVES-ZDUSSCGKSA-N 442.497 4.254 5 20 IIBD Cc1ccc(-n2cnnn2)cc1NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 494562508 QGGBLUGUCMKTLQ-UHFFFAOYSA-N 432.465 4.282 5 20 IIBD CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 501765728 LTCIDKBXLXMIEA-LJQANCHMSA-N 448.527 4.424 5 20 IIBD O=c1c([N+](=O)[O-])cc(Br)cn1CC/C=C\c1ccc(Br)cc1 502133248 QPXXWCUAMQQPDJ-IWQZZHSRSA-N 428.080 4.385 5 20 IIBD C[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccncc2)cc1 504250245 ATKTUXZCYSZUKT-HNNXBMFYSA-N 445.479 4.307 5 20 IIBD COc1ccc(-c2ccc(CN3CCC(NC(=O)c4ccccc4)CC3)o2)c([N+](=O)[O-])c1 506311235 VNKHUSYLMNSDAR-UHFFFAOYSA-N 435.480 4.258 5 20 IIBD CN(C(=O)COc1c(Cl)cncc1[N+](=O)[O-])[C@@H](c1ccccc1)c1ccc(F)cc1 506414608 CCOZXZBQCBVHJR-FQEVSTJZSA-N 429.835 4.409 5 20 IIBD COC1(c2noc(-c3ccc(-n4cncn4)c([N+](=O)[O-])c3)n2)CCC(c2ccccc2)CC1 508635308 YHZDGHSXCFRXFG-UHFFFAOYSA-N 446.467 4.425 5 20 IIBD COc1ccc(CSCC(=O)N(Cc2ccccc2)C[C@H]2CCCO2)cc1[N+](=O)[O-] 509328090 OUNJNMSFESLQMM-LJQANCHMSA-N 430.526 4.044 5 20 IIBD CC(C)CCSc1ccc(C(=O)Nc2cccnc2N2CCOCC2)cc1[N+](=O)[O-] 509349071 VLKHBTSCUMDATC-UHFFFAOYSA-N 430.530 4.217 5 20 IIBD CN(CCCCCc1cc(-c2ccccc2)no1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F 509653095 ZOIMAEGWNDRLFT-UHFFFAOYSA-N 447.488 4.422 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN3CCC(n4cncn4)CC3)o2)c(Br)c1 512389028 DJZDFPBSJDSDAP-UHFFFAOYSA-N 432.278 4.046 5 20 IIBD CCCOc1cc(NC(=O)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OCCC 515261335 BLGOVSKIOALVAU-OWCLPIDISA-N 435.521 4.052 5 20 IIBD Cc1ccc(-c2noc(-c3cccnc3S[C@H](C)C(=O)N3CCCC3)n2)cc1[N+](=O)[O-] 515537784 SMQOHPSWEJGQPE-CQSZACIVSA-N 439.497 4.118 5 20 IIBD CSc1ccc(C(=O)N2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)cc1[N+](=O)[O-] 516639893 ZQRIJJKJORQHNE-INIZCTEOSA-N 442.415 4.429 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Br)ccc1Sc1nncn1C 517163760 QUOMVRZUVYKJJH-UHFFFAOYSA-N 448.302 4.198 5 20 IIBD CC(C)Cc1ccc(C(=O)C2CCN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])CC2)cc1 519892234 SZEWWKHVQMADBQ-UHFFFAOYSA-N 448.516 4.216 5 20 IIBD COc1ccccc1Oc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 520387432 OEQBGDXBNDJJGP-UHFFFAOYSA-N 432.429 4.013 5 20 IIBD COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2cccc([N+](=O)[O-])c2)cc1 524338542 NQMGLPLOAGTLEQ-UHFFFAOYSA-N 428.448 4.386 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2c2ccc(C)cc2)cc1OC 525541226 IVIZTIJMNYYLRP-LJQANCHMSA-N 428.485 4.304 5 20 IIBD COc1cc(CN[C@H]2CCO[C@@]3(CCSC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 532675101 SFALJUICCBLMSA-CVDCTZTESA-N 444.553 4.327 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 538549854 LUMHQPAOOCOUIS-UHFFFAOYSA-N 431.876 4.056 5 20 IIBD Cc1c(C(=O)Nc2ccc(-n3ncc4ccccc43)cc2)nnn1-c1cccc([N+](=O)[O-])c1 540518144 UQRXTRFOOMZYFW-UHFFFAOYSA-N 439.435 4.075 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)c1 540628545 HDLBWKLBFMQJOG-OAQYLSRUSA-N 447.491 4.038 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])N1CCc2c(Br)ccc(F)c2C1 541641037 MVRRRSNQVHSVMK-UHFFFAOYSA-N 425.279 4.173 5 20 IIBD O=[N+]([O-])c1ccc(/C=C/c2nc(O)c3cnn(-c4cccc(Br)c4)c3n2)s1 542004221 HFSMTGAFDLYIDW-GQCTYLIASA-N 444.270 4.424 5 20 IIBD CCc1ccc([C@H](NCc2ccc(CS(C)(=O)=O)cc2)c2ccc([N+](=O)[O-])cc2)o1 542476283 DZPSXVBGQABWRZ-JOCHJYFZSA-N 428.510 4.174 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 542759372 YKSMZKUNBNNWPM-CZUORRHYSA-N 449.287 4.239 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCC(=O)Nc1cccc2ccccc12 543145101 ORRSGHSFQOWPTP-UHFFFAOYSA-N 429.885 4.248 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cnn(-c2ccccc2)c1C(F)(F)F 546538195 GPAADFBPZXLPMR-UHFFFAOYSA-N 429.358 4.462 5 20 IIBD O=[N+]([O-])c1ccc(-n2ccc(-c3nc(Cc4ccc(Br)s4)no3)n2)cc1 546995657 JUTXJDWOQOJYOZ-UHFFFAOYSA-N 432.259 4.245 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2ccc3c(c2)nc(C)n3C2CC2)cc1SC 549769805 SWKBTNHLDIJWKK-UHFFFAOYSA-N 426.498 4.248 5 20 IIBD CC(C)Cn1c(Sc2ncc([N+](=O)[O-])c(N)n2)nnc1-c1ccc(Cl)cc1Cl 551682847 AHHVNRWBSDPSDP-UHFFFAOYSA-N 440.316 4.340 5 20 IIBD CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 555361266 CJDOWVBHAGJWCD-FQEVSTJZSA-N 443.454 4.365 5 20 IIBD COc1ccc(C(=O)Nc2nnc(-c3cccc(OC(F)(F)F)c3)s2)cc1[N+](=O)[O-] 557518450 JLJMUAGDZODPHI-UHFFFAOYSA-N 440.359 4.273 5 20 IIBD COc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1c1nc(Cc2ccccc2[N+](=O)[O-])no1 574554283 CGVKLKFTIMNFFW-AOMKIAJQSA-N 447.451 4.008 5 20 IIBD CCOc1cc(NC(=O)c2ncoc2-c2ccc(OC)cc2)c([N+](=O)[O-])cc1OCC 576113913 CIJRTCVITGQEOB-UHFFFAOYSA-N 427.413 4.308 5 20 IIBD COc1cc(Cc2noc(COc3ccc(Cl)cc3Cl)n2)c([N+](=O)[O-])c(OC)c1 579551552 BDLLMAYFBLTIRD-UHFFFAOYSA-N 440.239 4.472 5 20 IIBD O=C(Nc1ccc(Cl)cc1Br)N1CCOc2ccc([N+](=O)[O-])cc2C1 589334658 NEDGYRSSQJGCHF-UHFFFAOYSA-N 426.654 4.437 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NCCN1CCCC1 592473762 MNAFFRHQPTYSDG-SDXDJHTJSA-N 436.537 4.347 5 20 IIBD CC(=O)N[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(Cl)cc1 603638129 CCIFDCGDMQHZRW-AWEZNQCLSA-N 427.791 4.056 5 20 IIBD Cc1c(NC(=O)CCNc2ccccc2[N+](=O)[O-])cccc1-c1nnc2n1CCCCC2 603962412 VHGWGFRFWLUABO-UHFFFAOYSA-N 434.500 4.329 5 20 IIBD O=C(Nc1cccc(-c2n[nH]c3c2CCCC3)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 604470800 CPMQUSGKQDUASE-UHFFFAOYSA-N 428.452 4.302 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H]2CCSc3c(F)cccc32)ccc1[N+](=O)[O-] 608803097 GWXRSPIKXVZQPE-IEBWSBKVSA-N 443.500 4.000 5 20 IIBD COc1ccc(CC(=O)NCc2cccc(NC(=O)c3ccc(C)cc3)c2)cc1[N+](=O)[O-] 609010981 OHCRTRRGGAXFSP-UHFFFAOYSA-N 433.464 4.023 5 20 IIBD CC(C)CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 609036483 OSTJKXXTAFOBGT-BBRMVZONSA-N 435.571 4.266 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@H]3C(C)(C)C)cc2)cc1[N+](=O)[O-] 609178898 SGEIIJRWPZPNRU-FQEVSTJZSA-N 445.541 4.355 5 20 IIBD Cn1cc(C(=O)NCCCc2cccc(Br)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 609410280 JGKBNNIHPGNYIP-UHFFFAOYSA-N 443.301 4.120 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)N(Cc1cccc(Br)c1)C1CC1 609470611 CYNPPHPNHUESDU-UHFFFAOYSA-N 434.290 4.110 5 20 IIBD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])ccc21 609503067 ZCWWHOCOMWWQEL-UHFFFAOYSA-N 428.876 4.324 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CC(=O)N1CCCCC1)c1ccccc1 609507126 GLXNQNFNVMDVJB-QGZVFWFLSA-N 427.526 4.121 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(CN(C(C)=O)C(C)C)cc2)c([N+](=O)[O-])cc1OC 609725930 JMXOUIFWSMRPGJ-UHFFFAOYSA-N 429.473 4.011 5 20 IIBD CC(C)(C(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1ccc([N+](=O)[O-])cc1 610037519 BGULPQOEGVGNPV-UHFFFAOYSA-N 435.446 4.236 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)ccc1[N+](=O)[O-] 610068812 WQLHCIZTBOOSAA-JXFKEZNVSA-N 448.479 4.040 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC(C)C)c(C)c1 610203952 XQAJCSNGOFSRGP-LJQANCHMSA-N 445.541 4.181 5 20 IIBD O=C(NC1CCN(C(=O)c2ccco2)CC1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611199156 ZBNPVCWTCHNSDZ-UHFFFAOYSA-N 443.525 4.257 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC[C@@H](C[C@H]4CCOC4)C3)cc2[N+](=O)[O-])C1 611356265 XBRNZMAMBIZREI-ZGXWSNOMSA-N 429.561 4.356 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2nc3c(C)ccc(C)c3s2)cc1OC 619564778 GDUGTLHHFIPMTE-UHFFFAOYSA-N 431.470 4.107 5 20 IIBD O=C(/C=C\c1ccc2ccccc2n1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 726360807 RLPYNBCDGLFBHG-NTMALXAHSA-N 430.386 4.403 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2cnn(C)c2C(F)F)c2ccccc2)c([N+](=O)[O-])c1 727567421 JZDCAZACSFXGLZ-GOSISDBHSA-N 444.394 4.111 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)CSc1nnc(-c2cccs2)n1C 729118670 BNSHAPRTSLHJRD-UHFFFAOYSA-N 448.526 4.075 5 20 IIBD O=C(c1ccn(-c2ccc(Cl)c(Cl)c2)n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 730162845 OXDKIDWTPZOEDZ-UHFFFAOYSA-N 446.294 4.050 5 20 IIBD Cc1ccc(NC(=O)c2nnc(COC(=O)c3c(Cl)cccc3[N+](=O)[O-])s2)cc1 730643459 QOIGWOOZQJTIOL-UHFFFAOYSA-N 432.845 4.017 5 20 IIBD O=C(OCCc1ccccc1C(F)(F)F)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 732503483 GBCVQJUGBJEVAF-AWEZNQCLSA-N 442.415 4.066 5 20 IIBD O=C(Nc1ccc2[nH]ccc2c1)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 733126294 AKCDILFOKZRQIP-UHFFFAOYSA-N 437.433 4.096 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCCOc2ccccc2Br)cc1SC 734732042 RDYVTOXXBSOFRW-UHFFFAOYSA-N 442.287 4.324 5 20 IIBD Cc1c(C(=O)Nc2ccc(Cl)cc2C(=O)NCC2CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 740794298 MCBLLZHCFBAKOA-UHFFFAOYSA-N 446.847 4.165 5 20 IIBD CC(=O)c1ccc(N2CCN([C@@H](C)c3ccc(Br)cc3)CC2)c([N+](=O)[O-])c1 742418287 PTZNKEDHZYWNLH-AWEZNQCLSA-N 432.318 4.443 5 20 IIBD CC(C)c1ccc(N2CC[C@@H](C(=O)OCc3cnc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1 744157846 XCZGJZJLDSRZHM-OAQYLSRUSA-N 449.463 4.470 5 20 IIBD CC[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccc(OC)cc1 745565866 WPCXLGVBLUHEQN-MRXNPFEDSA-N 426.347 4.196 5 20 IIBD C[C@@H](OC(=O)c1ccc(F)c(Br)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 745572065 SLBQAYAKKWHXLB-MRVPVSSYSA-N 445.628 4.334 5 20 IIBD Cc1nc(-c2cccc(C(=O)OCC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])c2)cs1 745673554 NQTDUDIGYGONBR-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccc([N+](=O)[O-])cc1F 746985816 KHWBVKQMYQSXAG-GOSISDBHSA-N 434.420 4.052 5 20 IIBD CCCn1c(/C(Cl)=C\c2ccc([N+](=O)[O-])cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 747190707 RQOCZMKNBGXMPO-SFQUDFHCSA-N 448.932 4.342 5 20 IIBD CN1CCCN(c2ccc(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)cc2)CC1 747640466 YKZLLGYRKXFDAT-UHFFFAOYSA-N 437.525 4.113 5 20 IIBD Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 748633908 ORHXHMGVJOAEMH-UHFFFAOYSA-N 440.456 4.353 5 20 IIBD Cc1ccc(CN(CCN(C)C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)o1 749420359 QYAVDSINUVCLQQ-UHFFFAOYSA-N 444.713 4.116 5 20 IIBD O=C(NCCCOCCc1ccccc1)c1cc(Br)cc([N+](=O)[O-])c1Cl 749568752 SMVYFBXPQLSJHA-UHFFFAOYSA-N 441.709 4.390 5 20 IIBD O=C(NCc1ccc(COCC(F)(F)F)cc1)c1cc([N+](=O)[O-])ccc1Br 750602736 UYWPCYZYOWOQJX-UHFFFAOYSA-N 447.207 4.366 5 20 IIBD CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1 751635005 MZTCKGQLFNHAJH-LBPRGKRZSA-N 436.873 4.113 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] 752022545 CAOFEOUACKNAFK-JKSUJKDBSA-N 434.537 4.299 5 20 IIBD CC(C)(C(=O)NS(=O)(=O)c1cc([N+](=O)[O-])cs1)c1ccc(-c2ccccc2)cc1 752498206 XPQSCQNIUAIMJF-UHFFFAOYSA-N 430.507 4.106 5 20 IIBD C[C@H](c1ccc(Cl)cc1)N(C)C(=O)COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F 754986307 VYZAUBZIZBCVIP-SNVBAGLBSA-N 429.231 4.417 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H](c1ccccc1)C1CCOCC1 755328496 ZIUBPOZGTKKJPV-FQEVSTJZSA-N 433.302 4.184 5 20 IIBD CCC(=O)c1cc(C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)ccc1F 757928300 HILTYRLTJUEKLQ-UHFFFAOYSA-N 440.431 4.427 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)nc1)c1cccc([N+](=O)[O-])c1 758516685 NROIMTTXOCSWGQ-IZTUGPKFSA-N 443.887 4.285 5 20 IIBD C[C@@H](C(=O)NCc1ccc(CCNC(=O)OC(C)(C)C)cc1)c1cccc([N+](=O)[O-])c1 761677255 CLLJQYCBHSOIIT-MRXNPFEDSA-N 427.501 4.082 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(CCNc2ccccc2[N+](=O)[O-])no1 761968800 LBPXPTMMKRZSDH-NSHDSACASA-N 433.808 4.334 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC(c2nc(CC3CCOCC3)no2)CC1 761980888 VLLXTRNZWSIDHA-UHFFFAOYSA-N 440.422 4.350 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1c1noc(CCOc2ccc(Cl)cc2[N+](=O)[O-])n1 763354193 MXPPSKVDRGVPLE-CYBMUJFWSA-N 438.868 4.325 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OC1CCN(C(=O)c2ccccc2F)CC1 765605838 VJWYZJCJRHRLJY-KRWDZBQOSA-N 428.460 4.151 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@@H](C)[C@@H](O)c2cccc(F)c2)cc1[N+](=O)[O-])c1ccccn1 770384064 NFUZUXVIXRVQGK-AYSMAOOMSA-N 438.459 4.154 5 20 IIBD COc1ccc(NCc2ccc(OC)c([N+](=O)[O-])c2)cc1OCc1cn2ccccc2n1 770528202 NXQJUWUQDWNZJR-UHFFFAOYSA-N 434.452 4.451 5 20 IIBD COCCc1nc(C)c([C@H](C)OC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])s1 773920158 IASUNMJSYIUFLE-NSHDSACASA-N 426.516 4.197 5 20 IIBD O=[N+]([O-])c1cc(Cl)c2c(cnn2CN2CCO[C@H](c3ccc(OC(F)F)cc3)C2)c1 774641013 WSLOUNUNMSLEJO-KRWDZBQOSA-N 438.818 4.230 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)N1CCc2sccc2C1 775087083 PELLBJLQIURDMV-CYBMUJFWSA-N 434.539 4.287 5 20 IIBD CC(=O)N(c1nc(COC(=O)c2c(N)cccc2[N+](=O)[O-])cs1)c1ccc(C)cc1C 778145581 XXAOTQDPZJKPIM-UHFFFAOYSA-N 440.481 4.292 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)c1cc([N+](=O)[O-])c2nsnc2c1 778244458 QALFAQPFWJUIQE-CYBMUJFWSA-N 439.497 4.175 5 20 IIBD CC(C)n1cc2c(n1)[C@@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])CCC2 780413083 KRYGGCFSIAYCLR-HNNXBMFYSA-N 426.395 4.121 5 20 IIBD Cn1c([C@H]2CCCCN2CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)nc2ccccc21 782513682 WYODMKINAGDMSH-HXUWFJFHSA-N 425.464 4.176 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(Nc2cccc(CC[C@@H](O)c3ccccc3)c2)s1 782946784 FHZQJZOKJITBGN-GOSISDBHSA-N 432.523 4.470 5 20 IIBD COC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)OC(=O)c1cccc(Cl)c1[N+](=O)[O-] 783169834 RFZSGQVPXNSCQA-AWEZNQCLSA-N 431.750 4.208 5 20 IIBD CC[C@@H](C)[C@H](C)N(C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br)C1CC1 784560594 MZRRSCSWHONFKV-PWSUYJOCSA-N 426.311 4.030 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 784562604 YUXMBTOODHUMJK-OKZBNKHCSA-N 431.533 4.285 5 20 IIBD Cc1nc(-c2ccc(S(=O)(=O)Oc3cc([N+](=O)[O-])ccc3Br)cc2)co1 786903826 BKSPVSISMVALQX-UHFFFAOYSA-N 439.243 4.088 5 20 IIBD CCCOc1cc(NC(=O)c2cnn(-c3ccccc3)n2)c([N+](=O)[O-])cc1OCCC 790515576 BYRJMIHPVGQBDP-UHFFFAOYSA-N 425.445 4.005 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2nc3cc(Cl)ccc3s2)c(C)c1[N+](=O)[O-] 790640226 ZLIKICSZZZUGRD-UHFFFAOYSA-N 442.862 4.184 5 20 IIBD O=C([C@H]1C[C@@H]1c1cccc(F)c1F)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791170059 ZSKXEDNDRUGPLT-OLZOCXBDSA-N 437.240 4.324 5 20 IIBD CC(C)Oc1cccc(CN(C)CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)c1 795441703 AFIOAFKMWRXPMP-UHFFFAOYSA-N 448.317 4.190 5 20 IIBD O=C(c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O)N(Cc1cccc(F)c1)C1CC1 798158377 HZGFTHUDPQDLHU-UHFFFAOYSA-N 430.823 4.083 5 20 IIBD Cc1cc(C(=O)Nc2c(F)ccc([N+](=O)[O-])c2C)cc(C)c1OCC(=O)N1CCCCC1 800143517 HGCGZYYHOLQQKR-UHFFFAOYSA-N 443.475 4.303 5 20 IIBD COc1ccc(COC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)nn1 800453141 KXBPSBYJEPGQCZ-UHFFFAOYSA-N 445.815 4.205 5 20 IIBD Cc1cn(-c2ccc(F)cc2)nc1C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 801450869 AIFISLIITZCVFN-LBPRGKRZSA-N 446.822 4.065 5 20 IIBD COc1ccncc1CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 808244399 YAWRXTMLAPPYLR-UHFFFAOYSA-N 433.873 4.047 5 20 IIBD C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C[C@@H](c2ccsc2)O1 809826010 RVDVKEHUPAKLCL-OTYXRUKQSA-N 437.326 4.114 5 20 IIBD C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1Cl)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 809913376 HLMPIBRQRKADMB-QWHCGFSZSA-N 426.901 4.405 5 20 IIBD CCOc1ccc([C@@H]2CCCN2c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCOC)cc1 812091702 VCIJGZHMRWXBBR-NRFANRHFSA-N 437.500 4.240 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813078724 QCCKIFMAVKXUQO-PWSUYJOCSA-N 432.304 4.419 5 20 IIBD O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCC(O)(c2c(F)cccc2F)CC1 813526046 FKOUGNAOHQADOF-UHFFFAOYSA-N 431.222 4.304 5 20 IIBD C[C@@H](CC(=O)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 815206967 RNGOMZDXAAWLDH-NSHDSACASA-N 449.378 4.048 5 20 IIBD COc1ccccc1C1(C(=O)OCC(=O)Nc2c(C)cccc2[N+](=O)[O-])CCCCC1 815302768 HVSMKFJUUYYVDT-UHFFFAOYSA-N 426.469 4.296 5 20 IIBD C[C@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc(Cl)cc1 815511128 WTMGIKMKHJUPGO-JTQLQIEISA-N 430.766 4.301 5 20 IIBD C[C@H](CO)n1c(C(F)(F)F)nc2cc(NCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc21 864040527 UKYKKYCZPDDRGC-SNVBAGLBSA-N 439.350 4.037 5 20 IIBD CC(C)N(Cc1cc(Br)ccc1F)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 914503838 DCIFILUZWUIJEK-UHFFFAOYSA-N 440.225 4.455 5 20 IIBD O=C(COC(=O)CCOc1ccc2ccccc2c1)Nc1ccc(Cl)cc1[N+](=O)[O-] 914913146 STNQGYYLPOXSGT-UHFFFAOYSA-N 428.828 4.352 5 20 IIBD C[C@@H](OC(=O)CCOc1cccc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 915442992 VPIKEFVZAWADFN-LLVKDONJSA-N 427.240 4.241 5 20 IIBD C[C@@H](OC(=O)CCOc1ccc(F)c(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 915561406 UZUNWBUGJAESTK-SNVBAGLBSA-N 445.230 4.380 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 916055725 MOKPYRVVHNVWFY-POGDKVGISA-N 447.413 4.107 5 20 IIBD O=C(Nc1ccc2ncccc2c1)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 916075344 MYCXVQBTBIOGMZ-UHFFFAOYSA-N 449.444 4.163 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)C(=O)NC(=O)Nc1ccccc1 917257442 OJZPAKFCXGUNSW-HNNXBMFYSA-N 449.419 4.281 5 20 IIBD CC(=O)c1ccc(-c2ccc(C(=O)OCc3nc(-c4ccc([N+](=O)[O-])cc4)no3)o2)cc1 918800651 BCIHOEUZYCCIDB-UHFFFAOYSA-N 433.376 4.464 5 20 IIBD CCc1cc(N2CCN(c3ccc(C(C)=O)cc3F)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 919721390 IAVGXTPASIXNQV-UHFFFAOYSA-N 449.486 4.283 5 20 IIBD COc1ccc(COC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])cc1 919976079 HLZIEXJWTNZSND-UHFFFAOYSA-N 430.438 4.005 5 20 IIBD O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1cc([N+](=O)[O-])ccc1F 920010521 UEXOPJXSJQFREE-UHFFFAOYSA-N 426.366 4.231 5 20 IIBD Cc1ccccc1-n1nc(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c2c1CCC2 920912317 ZXTUZVUGCLRRRO-MRXNPFEDSA-N 448.479 4.070 5 20 IIBD CCc1c(-c2nnc(COc3ccccc3[N+](=O)[O-])o2)nnn1-c1cccc(Cl)c1 1117191458 JPQWMFZOGZPUJB-UHFFFAOYSA-N 426.820 4.020 5 20 IIBD Cc1c(I)cccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl 1319952368 FJXULPHVWKMYJN-UHFFFAOYSA-N 430.629 4.342 5 20 IIBD CN(Cc1ccc([N+](=O)[O-])cc1Br)[C@@H](CO)c1cccc(Br)c1 1320532147 NLHWYCMNJYBZGX-INIZCTEOSA-N 444.123 4.285 5 20 IIBD O=C(CSc1nc2ccccc2[nH]1)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 1324464259 SCQYSFAUHDGUKA-UHFFFAOYSA-N 448.460 4.421 5 20 IIBD C/C=C/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(F)ccc([N+](=O)[O-])c2C)n[nH]1 1821285918 LQSOIZZTWDOHFL-ANMJBBSSSA-N 441.463 4.204 5 20 IIBD O=C(CCC1CCCC1)N1CC2(CCCN2C(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)C1 1845142766 YZRNGVMRWIYLBB-UHFFFAOYSA-N 439.556 4.190 5 20 IIBD CCCc1cc(O)nc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 11443515 IZVKFANSNZRRBO-VIFPVBQESA-N 430.408 4.181 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c(F)c1 15625777 ADRHABKCLOCGNG-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD Cc1ccc(S(C)(=O)=O)cc1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 15815466 PKLLZWOOFZFUIY-UHFFFAOYSA-N 448.444 4.056 5 20 IIBD Cc1c(C(=O)Oc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cccc1[N+](=O)[O-] 15965684 WAABOZVSXRVWLE-UHFFFAOYSA-N 432.479 4.009 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(C3CC3)nc3ccccc23)c([N+](=O)[O-])c1 18437542 ZICHMCJKTPHJTQ-CYBMUJFWSA-N 435.436 4.213 5 20 IIBD CCN(CC)c1ccc(-c2nnc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2C)cc1 28977700 MKSDYAWINPGULZ-UHFFFAOYSA-N 428.474 4.296 5 20 IIBD O=C(Nc1cc(F)c(I)c(F)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 109863906 BTLABQJOMJXVSD-UHFFFAOYSA-N 443.147 4.211 5 20 IIBD O=C(Nc1ccc(Br)cc1)C1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 301059546 CYLDNTQRVTYIJH-UHFFFAOYSA-N 449.261 4.121 5 20 IIBD CC(=O)Nc1cccc(-n2c(Sc3ncc([N+](=O)[O-])cc3Cl)nnc2C2CC2)c1 301266285 HWYDWWVMZOTSRF-UHFFFAOYSA-N 430.877 4.211 5 20 IIBD CC(C)CCOc1ccc([C@H](C)NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 303170679 WRSKPGBRJXNKJM-IRXDYDNUSA-N 427.501 4.015 5 20 IIBD CCOCCCN1CC[C@H](NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)[C@@H](C)C1 303579681 DHBJFEHTBNGLSM-RXVVDRJESA-N 440.544 4.205 5 20 IIBD CC(C)n1cnnc1[C@@H]1CCCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 426346790 PMTQIZDXMAOWLN-LJQANCHMSA-N 449.511 4.366 5 20 IIBD O=C(c1ccc2c(c1)nc(O)n2CC(F)(F)F)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 427595217 CKDSIZKTKUKTBE-UHFFFAOYSA-N 434.374 4.017 5 20 IIBD O=C(O)CCCNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 428092885 QGSMUPPCDJXEJE-QINSGFPZSA-N 425.466 4.116 5 20 IIBD CCC(C)(C)NC(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)cc1Cl 430415946 QHQYJTPFHYFGKA-UHFFFAOYSA-N 433.892 4.493 5 20 IIBD Cc1ccc(NC(=O)C(=O)NC2(c3cc(C(F)(F)F)ccc3Cl)CC2)cc1[N+](=O)[O-] 434621328 ROUZUMJLAHOPDA-UHFFFAOYSA-N 441.793 4.319 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCO[C@@H](c2ccc(F)cc2)C1 435881182 SWUIPADFZXNJSB-OAQYLSRUSA-N 438.405 4.312 5 20 IIBD CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cccc([N+](=O)[O-])c1O 436909798 NTSOBGJHMIAWFS-UHFFFAOYSA-N 426.256 4.098 5 20 IIBD O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 436994790 AQRJSNRBTYMFDN-UHFFFAOYSA-N 438.267 4.098 5 20 IIBD CC(=O)Nc1cc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])ccc1Cl 438808236 SGBDWYAGGZQQLL-UHFFFAOYSA-N 438.676 4.314 5 20 IIBD CS(=O)(=O)c1cc(C(=O)N2CCCCC[C@H]2/C=C/c2ccccc2)cc([N+](=O)[O-])c1 440876377 HPONYIGKQIIOBX-CVTTXWKISA-N 428.510 4.097 5 20 IIBD O=C(NCc1cccc(-n2ccnc2)c1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444039631 UDCBHOCDUFJSAU-UHFFFAOYSA-N 430.414 4.075 5 20 IIBD Cn1cc(-c2csc(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)n2)cn1 444074622 NKQXSQBWECKZSY-UHFFFAOYSA-N 437.431 4.069 5 20 IIBD COc1cc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)ccc1F 444314107 GAIRLDHIFBLLAL-UHFFFAOYSA-N 425.203 4.487 5 20 IIBD Cc1c(Br)cc(-c2nc(CC(=O)Nc3ccccc3F)no2)cc1[N+](=O)[O-] 445284764 SPORQXXCOGRLCO-UHFFFAOYSA-N 435.209 4.036 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 446088147 DVLMEIHJIWQKQD-LJQANCHMSA-N 431.920 4.139 5 20 IIBD COc1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc(OC)c1OCc1ccccc1 446438621 QVUBQTKJJGFGBC-UHFFFAOYSA-N 448.475 4.390 5 20 IIBD CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 446934614 BLPXLNPUSRABDU-UHFFFAOYSA-N 439.740 4.283 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccccn2)c(C(F)(F)F)c1 446967702 SYGUSMYCDFTDHL-SFHVURJKSA-N 437.399 4.077 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(NC(=O)c2ccncc2)cc1 462487470 JVIRBUDLEFBYQD-IBGZPJMESA-N 432.480 4.127 5 20 IIBD CC[C@H](C)NC(=O)COc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 462656082 CPFPHVDNDBVJGX-NSHDSACASA-N 440.283 4.447 5 20 IIBD CCCNC(=O)COc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 462666073 YZVYSNSPYPXXBV-UHFFFAOYSA-N 426.256 4.059 5 20 IIBD O=C1[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)CCN1c1cccc(OC(F)(F)F)c1 462839263 IPZGRRFKGWTRHY-CYBMUJFWSA-N 447.316 4.312 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3cc(-c4ccccc4)oc3C2)c2ncccc12 464218790 NDZCNPTVZASWQY-UHFFFAOYSA-N 435.461 4.150 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C)c(NC(=O)CCN(C)C)c1 466264852 WVBDXLWKYIIFMX-UHFFFAOYSA-N 430.530 4.158 5 20 IIBD CCC(=O)N1CC[C@H](NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 466546953 WULUUODQWVWACF-AWEZNQCLSA-N 433.917 4.140 5 20 IIBD CCc1ccc(-c2csc(NC(=O)[C@@H](CC)Nc3c([N+](=O)[O-])c(C)nn3C)n2)s1 469165028 LBIOODUUKUHQCZ-GFCCVEGCSA-N 434.547 4.213 5 20 IIBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1OCc1cccc(Cl)c1 474135285 SOLFYMXGBAIQTN-UHFFFAOYSA-N 439.855 4.196 5 20 IIBD CC(C)c1ccc(C(=O)N2CCCCC[C@H]2c2noc(-c3cnn(C)c3)n2)cc1[N+](=O)[O-] 474187211 BQKNCEAZGBAETC-SFHVURJKSA-N 438.488 4.259 5 20 IIBD COc1ccc(-c2nnc(SCc3c([N+](=O)[O-])ncn3C)n2-c2ccc(C)cc2)cc1 476475508 HQLKBAZXZZGJKK-UHFFFAOYSA-N 436.497 4.185 5 20 IIBD C[C@@H]1CCCCN1CCC1CCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 478634341 VJLLANZRIYPLEM-GOSISDBHSA-N 439.560 4.112 5 20 IIBD Cn1nc(CCNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c2ccccc21 478789585 ZAAXNDGBGFFEIR-UHFFFAOYSA-N 429.480 4.066 5 20 IIBD COc1cc(C(=O)NCc2ccccc2COCc2ccccc2)c([N+](=O)[O-])cc1OC 480258333 SSCKGBYNWPKQPJ-UHFFFAOYSA-N 436.464 4.259 5 20 IIBD CNC(=O)c1cc(Oc2cc(NC(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)ccc2C)ccn1 483558675 YOZKHPKTWXORMZ-OAHLLOKOSA-N 449.467 4.333 5 20 IIBD CCc1[nH]nc(C(=O)Nc2cc3c(cc2Sc2ccccc2)OCCO3)c1[N+](=O)[O-] 484732620 DWZGNVOPFUZPDJ-UHFFFAOYSA-N 426.454 4.055 5 20 IIBD Cn1ccnc1CNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 485564067 AGHSFMCQNZWPKK-FOWTUZBSSA-N 433.493 4.185 5 20 IIBD COC(=O)c1cc(NCc2nc(-c3cccc(C(F)(F)F)c3)no2)c(C)c([N+](=O)[O-])c1 486208364 YFFGXZGCPSPOJK-UHFFFAOYSA-N 436.346 4.371 5 20 IIBD CSc1cccc(C(=O)Nc2cc(F)ccc2NC(=O)c2ccccn2)c1[N+](=O)[O-] 486258456 VXAAGTFCIZNVNP-UHFFFAOYSA-N 426.429 4.355 5 20 IIBD COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1cccc(SC)c1[N+](=O)[O-] 486415647 BGUGUKDPKFOBKI-UHFFFAOYSA-N 431.514 4.193 5 20 IIBD COc1cc(CNc2cccc(N(C)C(N)=O)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 487211260 PYSGGBUKTAKPFX-UHFFFAOYSA-N 436.468 4.309 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccccc1 489397740 RPPBBSYDPDILPY-UHFFFAOYSA-N 446.492 4.277 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(CCN2CCSCC2)cc1 489477684 PDYBMUYYPJVPOO-OAHLLOKOSA-N 449.960 4.246 5 20 IIBD Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 493152108 KPTOWHNBQNSTCK-CYBMUJFWSA-N 438.406 4.386 5 20 IIBD CC(C)Cc1noc(-c2cc(Cl)ccc2NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)n1 497352224 JBLJHWFLTAIPLP-UHFFFAOYSA-N 444.831 4.478 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)COc2ccccc2C(F)(F)F)cc1OC 500579745 HICYUMURLLBASD-LBPRGKRZSA-N 442.390 4.218 5 20 IIBD O=C(N[C@H](c1ccc2c(c1)OCCO2)C1CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 501675397 AVOXINLAQCNTFX-FQEVSTJZSA-N 437.477 4.371 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCCc2cc(Br)cc(F)c21 504477230 MNQVIPZLORWWTN-UHFFFAOYSA-N 449.685 4.291 5 20 IIBD COc1ccc(CSCC(=O)N[C@H](C)c2ccc(-n3cccn3)c(F)c2)cc1[N+](=O)[O-] 505335003 HGZWTFRLCLFJDU-CQSZACIVSA-N 444.488 4.039 5 20 IIBD CCOC(=O)c1ccc(F)c(C)c1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 505440083 LWUYOFPKKUKKBM-UHFFFAOYSA-N 425.210 4.234 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CSc1nnc(-c2ccc(F)cc2)o1 509698011 NSUQHCDJIYVJPY-UHFFFAOYSA-N 430.461 4.313 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1CSc1nc2sc3c(c2c(=O)n1C)CCC3 511092745 UMKVKQDDTVIUCF-UHFFFAOYSA-N 431.539 4.471 5 20 IIBD CN(C)C(=O)CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 511650101 PYKHXPSUVJIOEE-UHFFFAOYSA-N 427.526 4.077 5 20 IIBD CCC(CC)(CO)CNC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 512646361 YLYWDYZQWJPVCK-UHFFFAOYSA-N 430.526 4.076 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)c(C(F)(F)F)c1 512986641 XKZZGOSNLQLYOR-DYVFJYSZSA-N 444.431 4.060 5 20 IIBD Cc1c(NC(=O)[C@@H](C)NCC2(c3cccc(Cl)c3)CCOCC2)cccc1[N+](=O)[O-] 513189176 VJAYROYHWRGXGW-MRXNPFEDSA-N 431.920 4.222 5 20 IIBD Cc1c(NC(=O)[C@H](C)NCC2(c3ccc(Cl)cc3)CCOCC2)cccc1[N+](=O)[O-] 513196745 QSBGTCADZBWNAU-INIZCTEOSA-N 431.920 4.222 5 20 IIBD COc1ccc(NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)cc1Cc1ccccc1 514901395 DAVFQTDFDMFYEK-UHFFFAOYSA-N 443.463 4.336 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1c2ccccc2CC12CCOCC2 517510110 LLWDMNTZJGSLDN-IBGZPJMESA-N 445.313 4.490 5 20 IIBD Cn1c([C@H]2CCCCN2C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)nc2ccccc21 517668078 YTJBVEBYRDHCLE-OAQYLSRUSA-N 430.468 4.035 5 20 IIBD Cc1ccc([C@H](CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)N2CCOCC2)o1 518272880 PEUIZTYDWQUBDG-FQEVSTJZSA-N 427.526 4.388 5 20 IIBD COc1cc(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)ccc1OC1CCCC1 519159878 JOKVPDIDWGRFRW-UHFFFAOYSA-N 436.468 4.041 5 20 IIBD C[C@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)COc1ccccc1[N+](=O)[O-] 521489703 TXPDESSABKXDRS-VOJFVSQTSA-N 437.315 4.335 5 20 IIBD COc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2F)C2CCCC2)c([N+](=O)[O-])c1 521769832 DJIPAJFGJQPOSZ-UHFFFAOYSA-N 426.441 4.015 5 20 IIBD CC(C)(C)CN(Cc1ccccc1)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 521929510 ZNLAMVXAKHEYJU-QGZVFWFLSA-N 429.542 4.336 5 20 IIBD O=C(NCc1nc(-c2cccc(Cl)c2)no1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 522423410 PYIZLEZAVLYNJM-UHFFFAOYSA-N 441.856 4.352 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCc2c(Cl)cccc2Cl)ccc1[N+](=O)[O-] 523223464 DTUIXEQPTDCDDI-GOSISDBHSA-N 436.295 4.131 5 20 IIBD Cc1ccc(C)c(Oc2ccc(CNC(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)cn2)c1 525289948 IRDFYVFPTGMXDT-UHFFFAOYSA-N 449.463 4.029 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 530802586 SNTQSCQYADGORT-JOCHJYFZSA-N 430.464 4.210 5 20 IIBD O=C(O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC(F)(F)F)cc1 531748529 ZWEBLVGHXABVBK-CQSZACIVSA-N 432.738 4.093 5 20 IIBD CN(C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 532827453 QOBBZOXQJDEAHL-OREJSRFESA-N 443.450 4.309 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)N2CC=C(C(F)(F)F)CC2)cc1[N+](=O)[O-] 533826050 GVXHPRIXYWCOLR-UHFFFAOYSA-N 447.413 4.226 5 20 IIBD COc1cc(CN[C@@H]2CN(C)Cc3ccccc32)ccc1OCc1ccc([N+](=O)[O-])cc1 535264023 CGCNMDZGWZBXRS-HSZRJFAPSA-N 433.508 4.459 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC)c2ncccc12 536490345 FVZHPVWTIBEVKU-UHFFFAOYSA-N 441.465 4.059 5 20 IIBD O=C(NCC1(Cc2ccc(F)cc2)CC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 536505154 CTWQSSKWUTWVCK-UHFFFAOYSA-N 426.366 4.428 5 20 IIBD O=C(Nc1ccc(-n2ncc3ccccc32)cc1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 537216245 HLJZTVVRMMPQSB-UHFFFAOYSA-N 425.404 4.440 5 20 IIBD O=C(COc1ccc(Oc2ccccn2)cc1)NCCc1ccc(Cl)cc1[N+](=O)[O-] 538693716 QTWWGSUQLKTCMM-UHFFFAOYSA-N 427.844 4.173 5 20 IIBD COC[C@H](NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 539133102 PSGOVWVMYBGVFU-HNNXBMFYSA-N 429.217 4.061 5 20 IIBD COc1ccc(C[C@@H](NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccccc2)cc1OC 539260407 AAZMOOUPHCWFDJ-JOCHJYFZSA-N 449.507 4.433 5 20 IIBD CCN(CC)C(=O)CCC(=O)N(CC(C)C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 539354692 YDUOMRMRHVWMJX-UHFFFAOYSA-N 432.546 4.356 5 20 IIBD O=C(NCCNc1ncnc2ccc([N+](=O)[O-])cc12)c1cc2ccccc2c2cccnc12 539382304 HGURLRDALCVVBX-UHFFFAOYSA-N 438.447 4.081 5 20 IIBD C[C@H](CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Oc1ccc(Br)cc1 539518304 DHFOLYBCSJOKJE-CQSZACIVSA-N 445.317 4.315 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN([C@H](C)c2nc(-c3ccccc3)no2)CC1 539845514 PEUPHYGECUUUEN-GOSISDBHSA-N 449.511 4.089 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)Nc1cnc2c(c1)CCCC2)c1ccccc1[N+](=O)[O-] 543891245 ZMOOZLJDEPAFAQ-LJQANCHMSA-N 426.473 4.073 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1 543893457 SYXLGJSCQADPPJ-UHFFFAOYSA-N 436.493 4.372 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2nc(-c3ccccc3)cs2)c([N+](=O)[O-])c1 544490532 WOXCDWKMIKDPIF-KBPBESRZSA-N 426.498 4.405 5 20 IIBD Cc1nn(C)c(C)c1C[C@@H](C)c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 545007314 MGEKQVSDYTWMHZ-SNVBAGLBSA-N 434.294 4.028 5 20 IIBD Cc1ccc(C(=O)CCc2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)cc1 545740629 PQJNEHDBDOLQPA-UHFFFAOYSA-N 430.258 4.455 5 20 IIBD Cc1csc(Sc2ccc(-c3nc([C@@H]4CN(C5CC5)CCO4)no3)cc2[N+](=O)[O-])n1 547207729 IWWQDDVAJICLJP-HNNXBMFYSA-N 445.526 4.097 5 20 IIBD Cc1nc(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)nc2ccccc12 548374257 LRTOUGJZLCIRIN-UHFFFAOYSA-N 430.414 4.141 5 20 IIBD COc1cc(OC)cc(C2(F)CCN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)CC2)c1 549031089 RXFFIUXSPVORSZ-UHFFFAOYSA-N 441.459 4.054 5 20 IIBD CC(C)Oc1ccc([C@H](CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 554038227 CXLJSKVAJPEJFU-KKSFZXQISA-N 431.558 4.282 5 20 IIBD COC(=O)CC1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 557233282 JKHFXUQZRJRHKQ-UHFFFAOYSA-N 432.860 4.456 5 20 IIBD COc1c(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc(Cl)cc1C(=O)N(C)C 560838551 DZRPLMNCAYBZIS-UHFFFAOYSA-N 445.781 4.230 5 20 IIBD Cc1ccc(Cl)cc1N(C)C(=O)c1ccc([N+](=O)[O-])cc1I 561598360 OFERKDJQJRXTQQ-UHFFFAOYSA-N 430.629 4.438 5 20 IIBD C[C@@H](NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccc(Br)s1 563286004 IQTXKYUERNLTQB-SNVBAGLBSA-N 426.292 4.084 5 20 IIBD COC(=O)c1cc(Br)c(OC)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 566060619 GUSHFLQWLJRZKG-UHFFFAOYSA-N 443.637 4.058 5 20 IIBD CS(=O)(=O)c1ccc(N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)c([N+](=O)[O-])c1 581088120 NYBZLHFAPKGUCA-AWEZNQCLSA-N 428.432 4.401 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(CS(=O)(=O)c3ccccc3)no2)ccc1Nc1ccccc1 581277259 IRHRUTKJSSHGTE-UHFFFAOYSA-N 436.449 4.362 5 20 IIBD CN(C(=O)c1ccc(Oc2ccc(Br)cc2)nc1)c1ccc([N+](=O)[O-])nc1 582928686 SVZCXXVHVGSWHK-UHFFFAOYSA-N 429.230 4.216 5 20 IIBD COc1cc(CCNC(=O)c2ccccc2C(=O)c2ccc(C)cc2)c([N+](=O)[O-])cc1OC 600043683 IBEJNNHWKIGOFB-UHFFFAOYSA-N 448.475 4.124 5 20 IIBD COc1ccc(CN2C(=O)[C@H](c3cccs3)N(Cc3ccccc3)C2=O)cc1[N+](=O)[O-] 603678097 WTRXVEOBDIZFSS-FQEVSTJZSA-N 437.477 4.371 5 20 IIBD CC(C)c1ccc([C@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C(C)C)cc1 603749400 AFIRQODMEVEFCH-JOCHJYFZSA-N 425.533 4.342 5 20 IIBD C[C@H]1CCCN(Cc2ccccc2CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 603899714 TVGPNXHDVQGQSD-IBGZPJMESA-N 436.556 4.357 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(OCc2csc(N(C(C)=O)c3ccc(C)cc3)n2)c1 603947712 SQIXNOTVKJVWSB-UHFFFAOYSA-N 441.465 4.410 5 20 IIBD COc1ccc(CNC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)o2)cc1[N+](=O)[O-] 604017291 JSRIWLOBSBCCBV-UHFFFAOYSA-N 432.436 4.288 5 20 IIBD CCOc1ccc(C(=O)N2CCC([C@@H](CC(=O)O)c3ccccc3)CC2)cc1[N+](=O)[O-] 604498294 GTRGCMFWAUVVHK-IBGZPJMESA-N 426.469 4.104 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(OCC(F)(F)F)nc1 609148129 PYTPDFBKFONCRJ-UHFFFAOYSA-N 426.395 4.051 5 20 IIBD CN(C)C[C@H]1CCCCN1C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 609175524 XQIBKPZMENSIFP-GOSISDBHSA-N 430.936 4.417 5 20 IIBD Cc1cccc(-c2cccc(CNC(=O)CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])c2)c1 609392511 ASUMSZCTTJEERZ-UHFFFAOYSA-N 437.883 4.270 5 20 IIBD O=C(NCCCNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1ccc(F)cc1 609505477 DHVGMUUNJAVREJ-UHFFFAOYSA-N 436.443 4.027 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H]2OCCc3ccccc32)cc1 609580659 KTRSZSXRSDGPFR-QHCPKHFHSA-N 434.448 4.440 5 20 IIBD Cc1cc(S(=O)(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] 609673454 AWTSHDVFYTVVGP-URLYPYJESA-N 434.358 4.091 5 20 IIBD O=C(NCCCc1ccc(Br)cc1F)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609710878 NCNQWPRGCHJIMS-UHFFFAOYSA-N 448.248 4.113 5 20 IIBD C[C@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1Br)c1cccc([N+](=O)[O-])c1 609784358 RMLJYQBLJUWNOV-NSHDSACASA-N 433.237 4.173 5 20 IIBD O=C(c1cccc(COc2cccc(F)c2)c1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 609883158 IFAOLEYYOIBJQS-IBGZPJMESA-N 436.443 4.035 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccc(CC(=O)N2CCc3ccccc32)cc1 610000319 YXRKRYQBJBDPJP-UHFFFAOYSA-N 444.491 4.086 5 20 IIBD CCOC(=O)Cn1ccc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3Br)ccc21 610042644 WSSDBIVPGJMOFI-UHFFFAOYSA-N 446.257 4.127 5 20 IIBD COc1cc(CCNC(=O)Nc2ccc(COC(C)(C)C)cc2)c([N+](=O)[O-])cc1OC 610634847 SPOOZJPIXKSPBQ-UHFFFAOYSA-N 431.489 4.291 5 20 IIBD COc1cc(CNc2cccc(C[S@@](=O)Cc3ccccc3)c2)c([N+](=O)[O-])cc1O 610911311 DHYYQBJVAXPUBH-PMERELPUSA-N 426.494 4.370 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CCC[C@H](c2nnc3n2CCC3)C1 611204282 CKJYSJKBQSLUIS-HNNXBMFYSA-N 441.557 4.187 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNc3ccc(-n4cncn4)cn3)o2)c(Br)c1 616204807 DVEWUXCOCLHOHO-UHFFFAOYSA-N 441.245 4.205 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCOc2c(Br)cccc2C1 684333301 UZJRCWPBHPPSMK-UHFFFAOYSA-N 449.304 4.479 5 20 IIBD O=[N+]([O-])c1ccc(-c2ncn(CN3CCO[C@H](c4ccc(Cl)c(Cl)c4)C3)n2)cc1 727427467 CMXKOCRYQIFTBC-SFHVURJKSA-N 434.283 4.191 5 20 IIBD O=C(Nc1ccc(Cl)nc1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727472448 KQJUXDOUVZRKSK-UHFFFAOYSA-N 429.786 4.016 5 20 IIBD O=C(NCc1ccccn1)c1ccc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1Cl 727709211 WZOKYAPDTBHKRM-UHFFFAOYSA-N 446.797 4.104 5 20 IIBD CCOc1cc(NC(=O)NC[C@@H](O)c2ccc3ccccc3c2)c([N+](=O)[O-])cc1OCC 731537694 ZRKXNSSIROYEMG-HXUWFJFHSA-N 439.468 4.401 5 20 IIBD O=C(CN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1)N1CCCCC1 732013458 UNFFSKMMQYHAGF-UHFFFAOYSA-N 446.301 4.017 5 20 IIBD O=C(c1c(F)cc(F)cc1F)C1CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 734142190 UCMJVDGWBMXKSB-UHFFFAOYSA-N 444.413 4.428 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Oc2cccc(NC(=O)c3cccs3)c2)cc1C 734156503 PNEMDDOWOFHJTI-UHFFFAOYSA-N 432.479 4.293 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)N[C@H](CCO)C1CC1 741417483 BVIOZQXQJXBXSH-QGZVFWFLSA-N 437.855 4.140 5 20 IIBD CC(C)(C)OC(=O)NC1(C(=O)OCc2ccc(Cl)c([N+](=O)[O-])c2)Cc2ccccc2C1 741931195 BNXGEKNDUXYVFL-UHFFFAOYSA-N 446.887 4.354 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 742314534 DXSUQTNZIRGIIN-UHFFFAOYSA-N 428.850 4.363 5 20 IIBD COc1c([N+](=O)[O-])cc(N[C@@H](C)CCc2cccn2C)c([N+](=O)[O-])c1Br 742418494 SDIUWEMPXUEHPH-JTQLQIEISA-N 427.255 4.046 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)c1 743334813 GXFRTOVNJWZCDM-MRXNPFEDSA-N 436.308 4.102 5 20 IIBD CCN(CC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1)C(=O)OC(C)(C)C 744712614 POTONNNLZCOURQ-UHFFFAOYSA-N 439.940 4.286 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)[C@@H](O)c1c(F)cccc1Cl 748391174 IZRPYEGPBZUBEC-ZUOKHONESA-N 435.883 4.230 5 20 IIBD O=C(c1cccc(Cl)n1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 749498745 GEUVWSAKUFMNLM-UHFFFAOYSA-N 442.928 4.330 5 20 IIBD Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)c3cccc(Cl)c3[N+](=O)[O-])C2=O)cc1 749887157 GSMWZAJFLAVQAY-LFIBNONCSA-N 445.884 4.023 5 20 IIBD COC(=O)[C@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])Cc1ccc2ccccc2c1 749999404 ZIEKWCGHPMKCEO-KRWDZBQOSA-N 426.856 4.163 5 20 IIBD CCN(C)c1ccccc1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 750865502 UMGXWXHZPOFFJW-UHFFFAOYSA-N 426.698 4.397 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 751340798 WMRSFYSGFJZXRD-DLBZAZTESA-N 439.537 4.218 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)C(=O)Nc1cccc(Cl)c1 751692324 PJALIZCKRIVLKK-QMMMGPOBSA-N 445.628 4.334 5 20 IIBD C[C@H](OC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cc(Cl)ccc1Cl 752526298 QTSXTPOCUVLEOQ-VIFPVBQESA-N 429.281 4.397 5 20 IIBD CN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 754708360 CBQRCTZBTZWMKB-YJBOKZPZSA-N 437.265 4.489 5 20 IIBD Cn1ccnc1[C@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(F)cc1 755028903 GTLAHMVFULVATF-MRXNPFEDSA-N 448.252 4.141 5 20 IIBD C[C@@H](C(=O)OCc1cccc(C(=O)NCc2ccco2)c1)c1ccc([N+](=O)[O-])cc1F 755059381 AOAUOBCUJJGHGN-CQSZACIVSA-N 426.400 4.104 5 20 IIBD CC[C@H](NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCO1 756105607 SFSINTKTKKYYPL-PKOBYXMFSA-N 431.876 4.188 5 20 IIBD COc1cc(CN(C)C(=O)c2cccc([N+](=O)[O-])c2Br)ccc1OC(F)F 757840233 SMXBZVMWTIQJBU-UHFFFAOYSA-N 445.216 4.240 5 20 IIBD CC(C)c1ccc(C[C@@H]2CCN(Cn3nc(-c4cccc([N+](=O)[O-])c4)ccc3=O)C2)cc1 763392426 HNHTXJWFUNAVPD-FQEVSTJZSA-N 432.524 4.464 5 20 IIBD COC(=O)c1coc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)c1 763796921 IXMYYYMOOOQZIK-UHFFFAOYSA-N 433.438 4.049 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1[N+](=O)[O-] 765275784 XOALQCDNJDWMOE-OPAMFIHVSA-N 432.521 4.007 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC(O)(c2ccccc2Cl)CC1 765617678 JJNDJCVSVANVHO-UHFFFAOYSA-N 428.794 4.391 5 20 IIBD CC1=C(C(=O)N(C)C)[C@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1c1ccc(Cl)cc1F 767146523 RANHGMJVKQZLQE-SFHVURJKSA-N 448.907 4.185 5 20 IIBD CC[C@@H](OC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1F 767610089 ISYKKEFIBYCZLL-OAHLLOKOSA-N 426.853 4.273 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N(CCO)Cc1ccc(Cl)c(Cl)c1 768093217 NNWHAEWKOPNUDN-UHFFFAOYSA-N 432.691 4.259 5 20 IIBD Cc1ccc(Cc2nc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3C)cs2)cc1 768658123 PFJAUZCQOXFRNO-UHFFFAOYSA-N 425.466 4.054 5 20 IIBD CCCN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 769352408 APQUPAUCOJWKPA-UHFFFAOYSA-N 425.913 4.500 5 20 IIBD Cc1ncsc1/C=C/C(=O)O[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 777100611 BMXQIUIXONYPJT-SYTKJHMZSA-N 444.494 4.067 5 20 IIBD O=C(Nc1ccc(C(=O)N2CCc3ccccc32)cc1)c1cc([N+](=O)[O-])c2nsnc2c1 778251140 AEBBTEZSIRKJTD-UHFFFAOYSA-N 445.460 4.055 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC([C@H](O)c2ccc(F)cc2)CC1 778736630 NWYFPNPIXWRILO-HXUWFJFHSA-N 435.883 4.085 5 20 IIBD COc1cc(CNc2cc(N3CCOC3=O)ccc2C)c([N+](=O)[O-])cc1OCC(F)F 779045690 GFVYCPQDEHMESQ-UHFFFAOYSA-N 437.399 4.124 5 20 IIBD COc1cc(CNc2ccc(N3CCO[C@@H](C)C3)cc2)c([N+](=O)[O-])cc1OCC(F)F 779046792 MYRIKCASASDQIS-AWEZNQCLSA-N 437.443 4.085 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)O[C@H](C)c2nc(C3CC3)cs2)ccc1[N+](=O)[O-] 781187870 DGWRNNMVTCUWHP-ACJLOTCBSA-N 429.498 4.146 5 20 IIBD C[C@@H](OC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nnc(-c2cccc(Cl)c2)o1 784629671 WZWCPRWDXFBOEM-LLVKDONJSA-N 446.803 4.443 5 20 IIBD O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 791047782 FIGBENUBHIZFBL-UHFFFAOYSA-N 426.370 4.102 5 20 IIBD O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N(CCO)Cc1cccnc1Cl 794320417 HIMUBUMLSBWFDU-UHFFFAOYSA-N 443.912 4.429 5 20 IIBD COCC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2 795356984 UBEDVLYOBDHDAJ-ATVHPVEESA-N 446.459 4.392 5 20 IIBD CCCc1[nH]nc(C(=O)O[C@H](c2ccccc2)c2nc(-c3ccccc3)no2)c1[N+](=O)[O-] 796261838 YYOLEKVOAUNEGP-LJQANCHMSA-N 433.424 4.267 5 20 IIBD CCc1ccc([C@@H](O)CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cc1 804152065 WNDFQTJUUKZISE-HNNXBMFYSA-N 427.682 4.037 5 20 IIBD C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(N2CCCCC2=O)cc1 811892838 GANSZRQEBIJRHG-CQSZACIVSA-N 430.892 4.326 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N1CC[C@H](n2cccn2)C1 812874998 KVCAXYBCVGPKIP-PXNSSMCTSA-N 425.876 4.072 5 20 IIBD O=C(Cc1cc2ccccc2nc1O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 916952695 IHLCDXOOZCIJHS-UHFFFAOYSA-N 443.415 4.249 5 20 IIBD C[C@@H](Nc1ccc(C(=O)OCC(=O)NCC2CCCCC2)cc1[N+](=O)[O-])c1ccccn1 920545183 GOPMGYWQRKNVJY-MRXNPFEDSA-N 440.500 4.016 5 20 IIBD Cc1cc(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)c(C)n1C[C@@H]1COc2ccccc2O1 921268581 UVILGDLLTCUHRT-QGZVFWFLSA-N 440.427 4.254 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)c(Br)c(C)n2)cc1SC 1116523908 MCAQDULRPJEBSK-UHFFFAOYSA-N 426.292 4.352 5 20 IIBD C[C@H](OC1CCCCC1)C(=O)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 1318548425 XZEIENSESLNNSS-HKUYNNGSSA-N 432.517 4.261 5 20 IIBD O=C(Nc1ccccc1C(=O)N1CC[C@@H]2OCCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1Cl 1319273644 WCRPTFDMXOQTNL-VLIAUNLRSA-N 443.887 4.142 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(Cc2cc(C)on2)CC1 1320675849 OAIIQRSASQZDCU-UHFFFAOYSA-N 432.546 4.132 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cc2c(OC(F)(F)F)cccc2[nH]1 1323973996 NFBHCHIGGKIJTL-UHFFFAOYSA-N 438.314 4.198 5 20 IIBD Cc1ccc(C(=O)N(C)C)cc1OC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 1516675864 SGZXMKALUSPUTD-HOTGVXAUSA-N 439.512 4.307 5 20 IIBD C[C@@H]1CCc2c(C(=O)NC3(c4ccc(NC(=O)c5ccc([N+](=O)[O-])o5)cc4)CCC3)n[nH]c21 1785748778 HEGFUQOEUMLHOI-CYBMUJFWSA-N 449.467 4.022 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@@H]3CCC(F)(F)C3)cc2)CCC1)c1ccc([N+](=O)[O-])[nH]1 1785802724 MZNXNDMTSGGRKG-CYBMUJFWSA-N 432.427 4.106 5 20 IIBD O=C(Cc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(C2(NC(=O)C3(F)CC3)CCC2)cc1 1786115763 ILHYMPKRSIABME-UHFFFAOYSA-N 445.878 4.427 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1)c1ccc2n[nH]cc2c1 1788431666 XAGDFTIBGJKEOR-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)NC1(c2ccc(NC(=O)c3cc(F)c[nH]3)cc2)CCC1 1791470575 XVJUTNGOOLJQMD-UHFFFAOYSA-N 436.443 4.052 5 20 IIBD Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)o1 1800713023 LRKQWEWVUDDQRA-MUJYYYPQSA-N 431.876 4.024 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])[nH]n1)c1ccccc1 1820407296 NKKBTLHOCSQYBK-QZMUEMGWSA-N 445.479 4.337 5 20 IIBD C[C@@H]1CCC[C@H]1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2F)n[nH]1 1821054557 ODZZHKRCDDBMCY-MUKKUYKPSA-N 443.479 4.199 5 20 IIBD CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2F)nnc1-c1ccc(Cl)cc1 9072507 CLCZOHQNYQWXPD-UHFFFAOYSA-N 435.868 4.397 5 20 IIBD CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 9629151 IMLULOYDNNPWHG-UHFFFAOYSA-N 431.905 4.181 5 20 IIBD COc1cc(C(=O)OCC(=O)Nc2ccc3ccccc3c2)c([N+](=O)[O-])cc1OC(F)F 10209077 WBRSCXIQIUFIBO-UHFFFAOYSA-N 446.362 4.154 5 20 IIBD COc1cc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c([N+](=O)[O-])cc1OC(F)F 10904188 AJZNVLTWUSAKIK-UHFFFAOYSA-N 445.762 4.039 5 20 IIBD CCOc1ccc(N2C(=O)c3ccc(C(=O)OCc4cccc([N+](=O)[O-])c4)cc3C2=O)cc1 11175508 WHCHFBHCULYMKI-UHFFFAOYSA-N 446.415 4.151 5 20 IIBD O=C(Nc1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1)c1ccco1 11361797 RJVVTSVKPMLRIX-UHFFFAOYSA-N 434.452 4.295 5 20 IIBD O=C(CSc1nnc(NCc2ccccc2)s1)Nc1ccc([N+](=O)[O-])cc1Cl 11408211 IRGODYCZFMEZPL-UHFFFAOYSA-N 435.918 4.443 5 20 IIBD COc1ccc([C@H](CNC(=O)COc2ccccc2[N+](=O)[O-])c2c[nH]c3ccccc23)cc1 18188396 ODGHZVSCOWFINL-FQEVSTJZSA-N 445.475 4.412 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(-c2cc(C)cc(C)c2)o1 22236765 SKKIAOBQBTWKPL-CYBMUJFWSA-N 428.470 4.390 5 20 IIBD COc1ccc(-c2cc(C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)sc2C)cc1 23636459 NFDKIDAGQVNMLN-UHFFFAOYSA-N 426.450 4.436 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1nc2cc(Cl)ccc2s1 26279448 HAUCKPZSMFFDQJ-UHFFFAOYSA-N 432.845 4.185 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2ccc(C)cc2Cl)cc1OC 27402265 HUEZQZOHYHFCLZ-GFCCVEGCSA-N 436.848 4.148 5 20 IIBD C[C@H](N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 28347018 MQJKBASZJJUEDG-STQMWFEESA-N 430.892 4.275 5 20 IIBD CCOC(=O)c1cc(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)cc([N+](=O)[O-])c1 36332402 CENRUBZGLRRINC-IBGZPJMESA-N 445.541 4.036 5 20 IIBD COc1ccc([C@H]2CCCN2C(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)c(OC)c1 45932777 ATFSYHXVWNYXLH-GOSISDBHSA-N 446.525 4.218 5 20 IIBD O=C(Cc1csc(COc2ccc(Cl)cc2)n1)N1CCc2ccc([N+](=O)[O-])cc21 58522195 HDDQFYUCCHDPKB-UHFFFAOYSA-N 429.885 4.416 5 20 IIBD C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(NC(=O)Nc2ccccc2)cc1 60758719 ZLQDNIHNYGOGJF-MRXNPFEDSA-N 434.452 4.495 5 20 IIBD CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 64827544 ZZCXOHSHSTZWFD-UHFFFAOYSA-N 433.346 4.010 5 20 IIBD O=C(Nc1ccc(-n2cccn2)cc1C(F)(F)F)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 107788975 QDLHTGVJNIMHQA-UHFFFAOYSA-N 442.357 4.237 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 109265602 SXSRDARIKUHVLN-KRWDZBQOSA-N 449.492 4.216 5 20 IIBD COc1ccc(-c2ccc(CNc3ccccc3CN3CCC(O)CC3)o2)c([N+](=O)[O-])c1 237427428 FSDVGBQXAOCLSU-UHFFFAOYSA-N 437.496 4.432 5 20 IIBD O=[N+]([O-])c1ccc(N2CCc3c(ncn3CCc3ccccc3)C2)c(Br)c1 302150772 LXKUCMZZHASREU-UHFFFAOYSA-N 427.302 4.359 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCOc1c(Cl)cc(Cl)cc1Cl 302611412 FAPGCALHTNHDPV-UHFFFAOYSA-N 439.704 4.449 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@@H](C)c3nnc4ccccn34)cc2[N+](=O)[O-])n1 302819170 VEJQMANKECITQI-LBPRGKRZSA-N 440.510 4.045 5 20 IIBD COC(=O)c1cccc(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)c1Br 427784256 SUDMVPXANDDKHC-UHFFFAOYSA-N 425.260 4.118 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3cc4c(cc3Cl)CCC4=O)cc2)c(C)c1[N+](=O)[O-] 429471015 HUVZWGLPCGOFJP-UHFFFAOYSA-N 438.871 4.491 5 20 IIBD O=C(Nc1ncc(-c2ccc(F)cc2)s1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 432216103 DQVFSIPFBLVUBA-CYBMUJFWSA-N 446.485 4.162 5 20 IIBD O=C(NCC[C@@H](c1ccccc1)C(F)(F)F)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 432480322 YQZCHFUKWSQOTF-IBGZPJMESA-N 436.434 4.163 5 20 IIBD Cc1c(CC(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)cccc1[N+](=O)[O-] 438986105 PIZWIEIVYXYBSC-SFHVURJKSA-N 427.259 4.492 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N(C)Cc2cccc(Cl)c2)cc1[N+](=O)[O-] 439245712 JURWKSFUVXKCRN-UHFFFAOYSA-N 433.711 4.140 5 20 IIBD Cc1cccc2oc(CCNC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)nc12 439563379 VQUGCARRGNZKPM-UHFFFAOYSA-N 433.414 4.382 5 20 IIBD CN(C)C(=O)c1cccc(CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])c1 440749923 CJQCWXKKIJOUGE-UHFFFAOYSA-N 435.505 4.378 5 20 IIBD C[S@](=O)Cc1cccc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1 444035652 XQQHWVZSIUMBDH-PMERELPUSA-N 426.444 4.090 5 20 IIBD O=C(NC1CCN(C2CCCC2)CC1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444103208 BALYRHICKCFFMP-UHFFFAOYSA-N 425.479 4.096 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cc1 444803913 QMDSNFHUCNECHQ-HNNXBMFYSA-N 440.802 4.054 5 20 IIBD CCCc1c(NC(=O)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cnn1-c1cccc(C)c1 446668034 QYPVCYHEPMHGII-QGZVFWFLSA-N 449.511 4.166 5 20 IIBD CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 447673554 YVSMHKGCMHWCHK-VXGBXAGGSA-N 438.397 4.165 5 20 IIBD Cc1ccc([C@]2(C)CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)C2)cc1 447690305 CIHZYTHGAOIIEK-RCZVLFRGSA-N 435.524 4.006 5 20 IIBD COc1ccccc1[C@H](Nc1cc(CN2CCOCC2)ccc1[N+](=O)[O-])c1ccccn1 447816722 MQODEOIFFCQXSG-DEOSSOPVSA-N 434.496 4.032 5 20 IIBD CC(C)c1ccc(C[C@@H]2CCN(C(=O)CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])C2)cc1 461390998 SHAKJWUNEWKATM-KRWDZBQOSA-N 443.931 4.193 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 462923180 DCDUCSYKQJILQV-IAGOWNOFSA-N 444.919 4.089 5 20 IIBD Cc1ccc(NCCCNC(=O)c2c(C)nn(C)c2Sc2ccccc2)c([N+](=O)[O-])c1 464430412 ZAUXZSWVJUHSOP-UHFFFAOYSA-N 439.541 4.328 5 20 IIBD COc1ccc([C@H](NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c2ccc(C)cc2)cc1 465163261 FJTBFAHGIKXBOO-RUZDIDTESA-N 448.475 4.131 5 20 IIBD CCCOc1cc(NC(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c([N+](=O)[O-])cc1OCCC 466141351 NCYXZZGIPVOTIY-KPOBHBOGSA-N 435.521 4.498 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@H]3CCCC[C@H]3n3cccn3)cc2[N+](=O)[O-])C1 470655559 IWNSNKKDTQRKKJ-KVPLUYHFSA-N 425.533 4.187 5 20 IIBD CCc1ccc(C(=O)Nc2cccc(NC(=O)COc3ccccc3OC)c2)cc1[N+](=O)[O-] 471354999 XSTIVQCGYYWITI-UHFFFAOYSA-N 449.463 4.436 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2cccc(CCC(=O)O)c2)cc1[N+](=O)[O-])c1ccccn1 473962374 VHDWBURAPHVVES-HNNXBMFYSA-N 434.452 4.432 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CN[C@H](CO)c3ccccc3OC(F)(F)F)cs2)c1 475544128 FMHQJSQPGCOGRL-MRXNPFEDSA-N 439.415 4.440 5 20 IIBD CC(C)(C)OC(=O)Cc1ccccc1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 477619214 ZIZZLRFTHVBNEU-UHFFFAOYSA-N 433.892 4.497 5 20 IIBD CCc1ccc([C@H](C)CC(=O)N2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)cc1 478095764 JUVOCBZSYLUZGZ-QGZVFWFLSA-N 435.528 4.266 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)c1[N+](=O)[O-] 480211849 WAMAUBHMMPCHEU-UHFFFAOYSA-N 439.921 4.052 5 20 IIBD CCS[C@@H]1CCC[C@H]1NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] 480984786 CPPONUHTTCHTRB-RDTXWAMCSA-N 437.543 4.043 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)c1[N+](=O)[O-] 481066806 DMMPIQMRKGCHQB-KRWDZBQOSA-N 442.497 4.178 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](c1cc(F)cc(Br)c1)C1CC1 481745255 RVSPFWWUOOCCME-LJQANCHMSA-N 436.281 4.484 5 20 IIBD C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 482960215 GPJVMYFYRBVZID-SFHVURJKSA-N 446.507 4.101 5 20 IIBD CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 486362458 WJDRUOSOYYVSIN-HXUWFJFHSA-N 426.448 4.143 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 488405376 AHDWJVHVMYETGP-INIZCTEOSA-N 440.905 4.305 5 20 IIBD COC(=O)c1cc(C)nc(N2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)c1[N+](=O)[O-] 488480320 PIIACVYWMLUTCU-WBMJQRKESA-N 439.390 4.070 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)NC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])n2)cc1F 489754162 RNTMQRRTFCSQGX-CYBMUJFWSA-N 427.436 4.388 5 20 IIBD O=C(c1cncc(-c2ccc3c(c2)CCO3)c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 498153366 OXWKSGATEMVKAM-HSZRJFAPSA-N 433.489 4.480 5 20 IIBD Cc1cc(=O)c(C(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)nn1-c1ccccc1[N+](=O)[O-] 500231463 QMDPQJJQPWNVMX-HXUWFJFHSA-N 444.491 4.131 5 20 IIBD COc1cc(C(=O)N(CCn2ccnc2)Cc2cccc(Cl)c2)cc([N+](=O)[O-])c1C 507406176 UBUOJUJUHDVNBY-UHFFFAOYSA-N 428.876 4.104 5 20 IIBD CCCOc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1I 508589587 RNPQYROXFUIGRO-UHFFFAOYSA-N 426.210 4.241 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1(Cc2cccc(F)c2)CCOCC1 508651053 VSIKGXQIVDRIBE-CQSZACIVSA-N 436.867 4.063 5 20 IIBD CCCOc1cc(NC(=O)C(=O)N(C)C2CCC(C)CC2)c([N+](=O)[O-])cc1OCCC 515969721 CTIGPTHYYODFOP-UHFFFAOYSA-N 435.521 4.148 5 20 IIBD CC1CCN(CCCCNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 516324840 REHQGIBFGZIZNZ-IBGZPJMESA-N 439.560 4.405 5 20 IIBD CC(C)COc1ccc(CCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 518039060 CRTGRTFWCFASPI-UHFFFAOYSA-N 425.529 4.205 5 20 IIBD C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc(S(=O)(=O)N(C)C)c1 518278314 LUQMOYZFHPXKJZ-OAHLLOKOSA-N 445.566 4.424 5 20 IIBD C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 520383221 JYJJVOWVEPMRCL-OAHLLOKOSA-N 436.434 4.076 5 20 IIBD CC1(C)CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1Cc1ccccc1 520526685 IEQXJLLZRKZOGD-UHFFFAOYSA-N 436.537 4.455 5 20 IIBD COc1cc(CN[C@@H](CO)c2cccc(F)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 522535519 PRANYXFNIZSEMX-NRFANRHFSA-N 426.444 4.145 5 20 IIBD CCSc1ccc(Cl)cc1NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 522669935 SIVNJWCGNGPOFN-UHFFFAOYSA-N 428.297 4.382 5 20 IIBD O=C(Nc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1)c1ccco1 523508790 TUVNCRXLUJVDIK-UHFFFAOYSA-N 444.241 4.133 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N(CCN3CCCC3)c3ccccc3)cc2)c(C)c1[N+](=O)[O-] 523540874 PIUKYGDIXVPAFE-UHFFFAOYSA-N 447.539 4.199 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(-c2cccc(Cl)c2)nn1CCO 524302317 XBZNWHIESFRSOV-CYBMUJFWSA-N 446.916 4.223 5 20 IIBD CC1(C)[C@H]2OCCC[C@H]2[C@H]1NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 525082681 YKAHILTYVOSJPR-JECHBYEQSA-N 439.299 4.021 5 20 IIBD O=[N+]([O-])c1ncccc1S(=O)(=O)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 525699779 NOZXQTURKMOUFC-UHFFFAOYSA-N 438.292 4.365 5 20 IIBD CN(C)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2Br)c([N+](=O)[O-])c1 531654988 NPUXTSNSNYEDHD-UHFFFAOYSA-N 435.683 4.053 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NC2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] 535766728 ZOOVDYPRZZCAPH-KBPBESRZSA-N 428.510 4.234 5 20 IIBD COc1ccccc1N1CC[C@H](SCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1=O 536304118 ORDLOOGXJKSXBE-IBGZPJMESA-N 425.466 4.297 5 20 IIBD COc1cc(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])cc(OC)c1Br 537208879 AFSPDZCRZCXANI-UHFFFAOYSA-N 427.276 4.349 5 20 IIBD COc1ccccc1COC1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 537697663 SZZISRPUEWBGFL-UHFFFAOYSA-N 449.301 4.187 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C3)cs1 537871920 SJJNKCREZBWOHO-UHFFFAOYSA-N 428.539 4.399 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 538043076 YEDQIOASUIGBHU-YUNKPMOVSA-N 446.301 4.274 5 20 IIBD Cc1nc(-c2ccc([C@H](C)NCC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)cc2)cs1 538152936 KBZOOZRFXLKFHP-LBPRGKRZSA-N 440.481 4.045 5 20 IIBD CCOc1ccc([C@H](C)N[C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)cc1[N+](=O)[O-] 539041050 JWEMVUJMRUTSFK-ITEAAPOESA-N 433.936 4.369 5 20 IIBD O=C(N[C@@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1)c1n[nH]cc1[N+](=O)[O-] 540008777 GYHGRIZKPXCFKG-HNNXBMFYSA-N 438.337 4.026 5 20 IIBD O=C(CSc1nc(-c2ccccc2)no1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 541727836 HSNNXOWHMZXQIR-SFHVURJKSA-N 428.495 4.011 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(N2CCOC[C@@H]2c2c(C)nn(-c3ccccc3F)c2C)n1 542864363 WBDXWFIRYPXPTR-LJQANCHMSA-N 425.464 4.126 5 20 IIBD CCC[C@H](C)NS(=O)(=O)Cc1cccc(NCc2ccc([N+](=O)[O-])cc2Cl)c1 543395372 DAUXHURBCXLGFB-AWEZNQCLSA-N 425.938 4.468 5 20 IIBD O=C(Nc1ccc2c(c1)S(=O)(=O)CC2)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 543458161 QTJIBGZNRVUIIE-UHFFFAOYSA-N 446.550 4.459 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCC(OC[C@H]2CCOC2)CC1 544273277 PQVUDLILQWGPKS-KRWDZBQOSA-N 442.537 4.404 5 20 IIBD CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 544490725 UUSNVAALZKKPMN-KBXCAEBGSA-N 437.265 4.489 5 20 IIBD CC(C)OC[C@@H]1CN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCO1 545327282 XJWOYEWKTXPGHJ-RXVVDRJESA-N 447.919 4.054 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1nc(-c2ccc(N3CCCC3)cn2)no1 546496963 CXDFFBOJQHDNHF-UHFFFAOYSA-N 448.405 4.313 5 20 IIBD O=C(CC1CCCCC1)NC1CCC(c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)CC1 547199726 IRSDBWNZMUHBDC-UHFFFAOYSA-N 427.505 4.076 5 20 IIBD CCOc1cc(N2CCN(Cc3ccc(C)cc3-c3cnn(C)c3)CC2)ccc1[N+](=O)[O-] 549410631 FIPJCPTYCQPLAX-UHFFFAOYSA-N 435.528 4.025 5 20 IIBD CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 551767625 CTELKBQGJATAAP-ORAYPTAESA-N 447.919 4.377 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3[C@H]4C=C(c5ccnn5C)C[C@H]3CC4)cc2[N+](=O)[O-])C1 554930066 JFBZYDOCOJYIHH-HRQSHJORSA-N 449.555 4.271 5 20 IIBD COc1ccc(-c2nnc(NC(=O)c3cc([N+](=O)[O-])cc(Br)c3C)s2)cc1 555873450 QJRJOOCVVTWKJU-UHFFFAOYSA-N 449.286 4.445 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 557447552 CVORICCUIOFPSZ-DEOSSOPVSA-N 430.508 4.297 5 20 IIBD COc1ccc(CNC(=O)N[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)cc1[N+](=O)[O-] 557792174 XYTLNGVJCLWNNJ-GOSISDBHSA-N 439.390 4.453 5 20 IIBD COC(=O)CCN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1nc2ccccc2o1 564128411 HDRDNKJKUIAISO-UHFFFAOYSA-N 449.872 4.078 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)c1ccc(-c2csc(C)n2)cc1 564759953 DENKGMDLVIPOTJ-CYBMUJFWSA-N 438.509 4.405 5 20 IIBD CC(C)(c1noc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)n1)c1ccc(Cl)cc1F 565918982 WQSPPUQOMBPMHE-UHFFFAOYSA-N 439.852 4.167 5 20 IIBD COc1cc(Cc2noc(-c3ccc(F)c(Br)c3)n2)c([N+](=O)[O-])c(OC)c1 572687891 HNNUDLLRNGNBAP-UHFFFAOYSA-N 438.209 4.154 5 20 IIBD CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 574956255 AOHNRJSJCLQVTP-UHFFFAOYSA-N 428.514 4.145 5 20 IIBD CC[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ncc(-c2ccccc2)[nH]1 584734528 ABTQTDFTJSBUDE-SFHVURJKSA-N 449.511 4.488 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1ccc(CN2CCCC2=O)cc1 589251673 WORHQNGUBTWXLZ-UHFFFAOYSA-N 443.459 4.201 5 20 IIBD Cc1ccc(Sc2ccc(CNCCCCN3CCN(C)CC3)cc2[N+](=O)[O-])cc1 603633170 HRHDGTTTYXMLOI-UHFFFAOYSA-N 428.602 4.172 5 20 IIBD COc1cc(NC(=O)c2csc([N+](=O)[O-])c2)c(C(=O)N2[C@H](C)CCC[C@H]2C)cc1OC 603755812 BRNAWTVGPIZWOB-CHWSQXEVSA-N 447.513 4.329 5 20 IIBD CCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)cc1[N+](=O)[O-] 603993499 ZWDJMSOOVVCOON-UHFFFAOYSA-N 425.485 4.426 5 20 IIBD O=C(Nc1cc(-c2ccoc2)nn1-c1ccccc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 604518295 WVAOXYGPSLDCRT-UHFFFAOYSA-N 440.419 4.479 5 20 IIBD COc1cccc2c1OCC[C@@H]2NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 608778246 NOTNLRDIASSMHO-IBGZPJMESA-N 433.464 4.469 5 20 IIBD COc1ccc(S(=O)(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)cc1[N+](=O)[O-] 608928181 YOAJTOJPJPJCRD-UHFFFAOYSA-N 434.282 4.321 5 20 IIBD COc1ccc(CC(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)cc1[N+](=O)[O-] 609011803 FCNIRQJAPTXDDH-UHFFFAOYSA-N 427.844 4.412 5 20 IIBD Cc1cc(C)nc(Sc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C)cc2)n1 609218658 AYIFITKYZQMTPZ-UHFFFAOYSA-N 430.511 4.262 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CCC[C@H](Cc2ccccc2)C1 609277422 SFESLWPTJSCNGO-OAHLLOKOSA-N 439.331 4.001 5 20 IIBD Cc1nn(C)c(N2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)c1[N+](=O)[O-] 609511757 OXYJPIPNGMGUBK-FQEVSTJZSA-N 440.548 4.330 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 609548643 RJGCGISFSPSRRV-DTORHVGOSA-N 437.296 4.052 5 20 IIBD O=C(NCCCc1ccc(Br)cc1F)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 609699584 KPYLHJUSLYZULN-UHFFFAOYSA-N 447.264 4.045 5 20 IIBD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)ccc21 609861381 CHJMLZRGCZOGRW-UHFFFAOYSA-N 428.876 4.324 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(Oc4ccccc4F)c(F)c3)CC2)cn1 609894454 NTAAGZDJXNGLKT-UHFFFAOYSA-N 426.423 4.383 5 20 IIBD COc1ccc(Cl)cc1C[C@H]1CCCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 610162570 KVIFNSZIWMMJGU-CYBMUJFWSA-N 442.896 4.039 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1cc(Br)c(F)cc1Cl 618380963 YDWIJKSKUUDVMZ-UHFFFAOYSA-N 442.632 4.348 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCC2(c3ccccn3)CC2)c([N+](=O)[O-])c1 618680643 XZRQDXIIGIICAS-UHFFFAOYSA-N 431.448 4.151 5 20 IIBD Cc1nc([N+](=O)[O-])c(Br)n1CC(=O)Nc1ccc(OCc2ccccc2)cc1 726432059 UHDRFKGCEOOEAA-UHFFFAOYSA-N 445.273 4.080 5 20 IIBD CN(CCNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 729438872 JBGNHCWMRJUUMS-UHFFFAOYSA-N 444.919 4.105 5 20 IIBD Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C3)cc1 731478853 QUHAXYOXGKDSIQ-UHFFFAOYSA-N 445.479 4.328 5 20 IIBD C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)OCc1cc([N+](=O)[O-])ccc1Cl 734780211 FXYCNNFJSMWRSX-LLVKDONJSA-N 426.853 4.191 5 20 IIBD COc1ccc(NC(=O)CNc2cc(NC(=O)OC(C)(C)C)ccc2F)c([N+](=O)[O-])c1 735492701 SXEWQNVHCIFZAV-UHFFFAOYSA-N 434.424 4.140 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 735699457 OZPXNINXWOHWSP-PSLIRLAXSA-N 433.675 4.172 5 20 IIBD CN(C)CC1CCN(c2ccc(NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)cc2)CC1 737951716 IZHVKRXNSJVEEF-UHFFFAOYSA-N 439.560 4.204 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)O[C@H](C)c2nnc(C)o2)cc1[N+](=O)[O-] 741830664 PBGUWPPLVUOYIQ-LLVKDONJSA-N 427.438 4.157 5 20 IIBD O=C(c1cnc2ccsc2c1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 741922259 QNHWSHGRFHPIDH-UHFFFAOYSA-N 436.415 4.186 5 20 IIBD O=C(NCc1ccc(NC(=O)C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 742604208 HCLNWVJXYKSZEE-UHFFFAOYSA-N 435.280 4.044 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)O[C@H]2CCCN(c3ccccc3Cl)C2=O)c1 744721650 DFQZKIKIGHLRLJ-SFHVURJKSA-N 432.860 4.064 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3Cl)c2)c(C(F)(F)F)c1 746591609 NGKVVBACHUKGOA-UHFFFAOYSA-N 446.794 4.254 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1 748288400 XGBLHQMDZFBWIZ-UHFFFAOYSA-N 425.489 4.321 5 20 IIBD Cc1c(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748945946 BXTRPCZONLILMD-UHFFFAOYSA-N 442.211 4.222 5 20 IIBD Cc1ccc2c(COC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)cc(=O)oc2c1C 748950176 IMSVYSJSUKJHSI-UHFFFAOYSA-N 426.381 4.200 5 20 IIBD O=C(CSc1ccc(F)c(F)c1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 750584052 ZPWCNBSYAITSFA-UHFFFAOYSA-N 443.269 4.313 5 20 IIBD Cc1cc(F)cc(C(=O)O[C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-] 752554702 OXWLPRWCPLLUBS-SNVBAGLBSA-N 430.310 4.125 5 20 IIBD COc1cc(NC(=O)C(C)(C)C)c(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC 752745221 LZSNKPGRKKHUQO-CQSZACIVSA-N 443.500 4.396 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCCc1ccc(NC(=O)OC(C)(C)C)cc1 755286168 VCBUKWRXWPKEEP-UHFFFAOYSA-N 428.489 4.326 5 20 IIBD C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1nc2ccc(Cl)cc2[nH]1 755314557 ZWJHHHCNPFKQSA-SECBINFHSA-N 437.681 4.307 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 755326350 KSQXEOZMQCOTRT-UHFFFAOYSA-N 428.626 4.409 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N(Cc1ccccc1)C[C@H](O)c1cccs1 755936128 YHOPMXLPEPWFAV-IBGZPJMESA-N 441.509 4.110 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)cc1[N+](=O)[O-] 755979337 LBTOEWFFEBBUKA-UHFFFAOYSA-N 434.861 4.285 5 20 IIBD COc1cc(COC(=O)c2ccc(C)nc2Br)c([N+](=O)[O-])cc1OC(F)F 756430023 XPNDNGRSKOHNCH-UHFFFAOYSA-N 447.188 4.028 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)Nc1cc(Cl)ccc1N1CCOCC1 757185380 WELJLVGWZKTVHC-UHFFFAOYSA-N 425.272 4.060 5 20 IIBD C[C@H](OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)Nc1ccc(C(F)(F)F)cc1 758730428 GGRMROBGIQMZQH-NSHDSACASA-N 435.358 4.208 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1nn(-c2ccccc2F)c2c1CCC2 760491479 NTPZYRDIDPVXSE-UHFFFAOYSA-N 448.410 4.420 5 20 IIBD Cn1cc(C(=O)NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 760729663 MLMISOGYABRDPF-GOSISDBHSA-N 449.294 4.156 5 20 IIBD O=[N+]([O-])c1ccc(CCc2nc(-c3ccc(C(F)(F)F)c(F)c3)no2)c([N+](=O)[O-])c1 761616547 KQORDKHIOFBHNG-UHFFFAOYSA-N 426.282 4.496 5 20 IIBD O=C(NC[C@H](O)c1ccc(Cl)c(F)c1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 763218991 ZISIQTVOSUGYFO-NRFANRHFSA-N 443.862 4.463 5 20 IIBD C[C@H](OC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC(F)(F)F)cc1 763400739 ANBBZWHAHHCNSK-NEPJUHHUSA-N 426.347 4.167 5 20 IIBD O=C(Nc1nc2c(s1)CCN(Cc1ccccc1)C2)c1cc(F)c([N+](=O)[O-])cc1F 763407337 LCCBTGHJIHEQIE-UHFFFAOYSA-N 430.436 4.140 5 20 IIBD O=C(Nc1ccc(Cl)cc1Br)c1cc([N+](=O)[O-])ccc1N1CCOCC1 764289526 MPFJWAASQQNODT-UHFFFAOYSA-N 440.681 4.100 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N2Cc3ccc(Br)cc3C2)cc1[N+](=O)[O-] 765162453 KYEFORLGXQPRPB-UHFFFAOYSA-N 431.695 4.024 5 20 IIBD COc1cc(COC(=O)c2cccnc2SCc2cc(C)on2)c([N+](=O)[O-])cc1F 766175640 USGCVPQKRUIBJQ-UHFFFAOYSA-N 433.417 4.083 5 20 IIBD COc1cc(COC(=O)c2ccc(OCc3cscn3)c(OC)c2)c([N+](=O)[O-])cc1F 766178917 PQGKPRQNJGEKCX-UHFFFAOYSA-N 448.428 4.144 5 20 IIBD Cc1ccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c(Br)c1 766231869 NIRDKVNQGOGXOR-UHFFFAOYSA-N 444.241 4.009 5 20 IIBD CSc1cc(C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1F 767040726 UWEMYXXUZHRHBB-UHFFFAOYSA-N 432.351 4.270 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 769886088 CTVNXXWANIEAMT-LBPRGKRZSA-N 435.820 4.266 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCC(O)(c2cccnc2)CC1 770051062 RLGAQNGJUQDYDM-UHFFFAOYSA-N 429.542 4.442 5 20 IIBD CCCN(C(=O)c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1F)C(C)C 771154868 BJEGFGQTFBCWRS-UHFFFAOYSA-N 437.493 4.104 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)C1(Cc2ccc(Cl)cc2)CC1 771178334 LWRHFSKGVVQZQP-CYBMUJFWSA-N 432.860 4.150 5 20 IIBD Cc1ccc(C)c(-n2ncc(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2C)c1 772393459 WVGZRMHHCXIZKG-UHFFFAOYSA-N 442.859 4.155 5 20 IIBD CC(C)(C)OCc1ccccc1C(=O)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 773771892 LMTUXMAVHVGRGD-UHFFFAOYSA-N 434.876 4.150 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccn(-c3cccc(Br)c3)n1)CC2 773996619 MBCJHURERQAQDJ-UHFFFAOYSA-N 427.258 4.054 5 20 IIBD Cc1nc(C(=O)O[C@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])c2ccccn12 774366693 LNRUWGBHOCVXPP-QGZVFWFLSA-N 432.274 4.359 5 20 IIBD C[C@@H]1CC(=O)CC[C@@H]1C(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 776292627 RQPTZAFZCCCCAV-PXAZEXFGSA-N 430.844 4.411 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CC[C@](O)(c2ccc(F)cc2)C1 777492210 MVAORDPRZIHDRB-XMMPIXPASA-N 435.455 4.080 5 20 IIBD Cc1cnc(C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)c(C)c1 779851591 UTIXPCWRXKLGPJ-UHFFFAOYSA-N 436.537 4.293 5 20 IIBD C[C@H](OC(=O)[C@@H](c1cccc(Cl)c1)N(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 780106721 RFSCBIUXYFSCGO-APPDUMDISA-N 440.283 4.075 5 20 IIBD Cc1c(C(=O)OCc2nnc(-c3cc4c(s3)CCCC4)o2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 782986916 QBHUXSYITHMNAA-UHFFFAOYSA-N 444.425 4.159 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3ccc(C(C)=O)cc3F)CC2)ccc1[N+](=O)[O-] 783390931 REJXTIRJKGQEAN-UHFFFAOYSA-N 430.432 4.161 5 20 IIBD CC(C)(C)c1ccccc1NC(=O)COC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 786786445 DYAZDPMBHPMICO-UHFFFAOYSA-N 437.452 4.001 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1)C12CCC(C(=O)Nc3ccc([N+](=O)[O-])cc3)(CC1)CC2 790653954 VWUXOEJMQVHBRU-UHFFFAOYSA-N 438.440 4.421 5 20 IIBD O=C(NC[C@@H]1[C@H]2Cc3ccccc3[C@H]21)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 790776576 CUOMDKRATPCAEL-JXXFODFXSA-N 442.313 4.011 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ccnn2-c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 791458592 ZTOLAFQSNYHKCV-UHFFFAOYSA-N 428.404 4.252 5 20 IIBD COc1ccc(OC(=O)c2coc(-c3ccc(Br)cc3F)n2)cc1[N+](=O)[O-] 792119354 ADSQHXLGKNDXSN-UHFFFAOYSA-N 437.177 4.379 5 20 IIBD CN(CC(=O)Nc1ccccc1OC(F)F)c1cc(Br)ccc1[N+](=O)[O-] 794945782 SPSMXJDODNNDRQ-UHFFFAOYSA-N 430.205 4.034 5 20 IIBD O=C(COc1cc(F)c([N+](=O)[O-])cc1Cl)NCCc1ccc(OC(F)(F)F)cc1 795247811 ZZFZDFAKSCQGHZ-UHFFFAOYSA-N 436.745 4.024 5 20 IIBD CC(=O)c1cccc(COC(=O)c2cc([N+](=O)[O-])cc(I)c2C)c1 800925595 OCYMGBWGQBRSRS-UHFFFAOYSA-N 439.205 4.067 5 20 IIBD CC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2ccccc2)C1 808060448 NSTKSGSZKURHMP-VQTJNVASSA-N 425.485 4.295 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)c(SC(=O)N(C)C)c2)c1[N+](=O)[O-] 808116968 MYQKDCWTDJHJTP-UHFFFAOYSA-N 443.934 4.440 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O 809913584 OQXMWSAOQNVAFV-CYBMUJFWSA-N 442.781 4.194 5 20 IIBD COc1ccc2c(c1)C1(CC1)CN(C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C2 810199134 QBFAUXVEHCDYTN-UHFFFAOYSA-N 432.274 4.445 5 20 IIBD CN(Cc1ccc2ccccc2c1)C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810350445 MNCOJNURGVEHQU-UHFFFAOYSA-N 442.269 4.108 5 20 IIBD Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)nnn1-c1cccc(Br)c1 813244098 NHCFKYSBMNCRBF-UHFFFAOYSA-N 436.653 4.152 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC[C@@H]21 814155726 ZJTPOYBVTSBXAR-AEFFLSMTSA-N 431.533 4.364 5 20 IIBD O=C(N[C@@H](C(=O)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccccc1)c1ccco1 815178021 DQQPUXOVRPEKNM-GOSISDBHSA-N 448.353 4.421 5 20 IIBD O=C(N[C@H](c1ccccc1)[C@@H](O)c1ccccc1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 816792352 DALMXXOZRSTUMN-PKTZIBPZSA-N 429.432 4.053 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C(=O)c1ccc(OC(F)F)cc1 846276961 BTHLCQWUCJZUSC-ZDUSSCGKSA-N 434.395 4.225 5 20 IIBD CC1CCN(c2nnc(SCc3cc(F)ccc3[N+](=O)[O-])n2C[C@H]2CCCO2)CC1 915794295 XJYDATFUYAWHDO-QGZVFWFLSA-N 435.525 4.033 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 916959484 TYZQHXUVVUODPD-UHFFFAOYSA-N 447.296 4.151 5 20 IIBD C[C@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 917847950 VWJYJHSGTWMZNB-CYBMUJFWSA-N 439.331 4.347 5 20 IIBD COc1ccccc1CN1C(=O)N[C@@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)OC(C)C)=C1C 918127312 RRVUPJLSYMEOAI-NRFANRHFSA-N 439.468 4.096 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)OCCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 920147065 NPZKHLRSUQENCZ-BAQGIRSFSA-N 426.303 4.157 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)/C=C/c3ccsc3)cc2)cc1[N+](=O)[O-] 920222212 SVNBEKNVMZCCKJ-YCRREMRBSA-N 443.506 4.417 5 20 IIBD Nc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2)cc1[N+](=O)[O-] 920886642 NMTXOTSDCLMUGU-LJQANCHMSA-N 426.270 4.459 5 20 IIBD COc1cc(-c2noc(COc3ccc([N+](=O)[O-])c(Cl)c3)n2)ccc1OC(F)F 921143411 UASLMOVTPOQVDU-UHFFFAOYSA-N 427.747 4.487 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCCC[C@@]32c2ccccc2)cc1OC 1319367218 CBWRFLXOWJEZAF-MHECFPHRSA-N 440.496 4.170 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC(Cc2ccccc2C(F)(F)F)C1 1323177020 JFDRKXWTXNKZOW-UHFFFAOYSA-N 430.386 4.114 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc2oc3ccccc3c2c1 1326143739 OGIBUZITUPNJPR-UHFFFAOYSA-N 427.390 4.049 5 20 IIBD C[C@H](NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)c1ccc(NC(=O)c2ccncc2)cc1 1330236870 OBEPXIGILQKGHY-HNNXBMFYSA-N 431.452 4.029 5 20 IIBD C[C@@H](CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CCN(C(=O)OC(C)(C)C)CC1 1333419895 CTPAGSYXXTZXAA-INIZCTEOSA-N 431.533 4.153 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)C3CC(F)(F)C3)CCC2)cc1)c1ccc(O)c([N+](=O)[O-])c1 1790616798 JFBFGKYDOZWCDH-UHFFFAOYSA-N 445.422 4.093 5 20 IIBD Cc1ccncc1C(=O)NC1(c2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2)CCC1 1790696437 FEZSZQPHOYIBOS-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD C/C=C(\C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(OC)cc3[N+](=O)[O-])CCC2)cc1 1791218883 QVCYYGKYXQMJGV-AYSLTRBKSA-N 437.496 4.246 5 20 IIBD Cc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2(C)CCCCC2)C3)cc1[N+](=O)[O-] 1800139967 MAFWAEOKTPRXEQ-ACDBMABISA-N 427.545 4.054 5 20 IIBD O=C(Cc1ccccc1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 1801207603 WNDDQJZGRBUSIB-REPLKXPHSA-N 449.532 4.304 5 20 IIBD CCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830498425 VNINUGNOBCBXEC-HXUWFJFHSA-N 433.524 4.403 5 20 IIBD C[C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 9637914 WGEQQSUTQGACDF-LBPRGKRZSA-N 427.461 4.447 5 20 IIBD Cc1cc(C(=O)CCC(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)s1 9841705 DTIAAWSJUBSGCP-LLVKDONJSA-N 438.889 4.460 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N2CCC(c3nc4ccccc4s3)CC2)c([N+](=O)[O-])c1 14927640 FWPKLULZVDMUMY-AWEZNQCLSA-N 440.525 4.420 5 20 IIBD Cc1ccc(NC(=O)[C@H](Sc2nnnn2C(C)(C)C)c2ccccc2)c([N+](=O)[O-])c1 16290415 KEGWOTOKBRHIOL-QGZVFWFLSA-N 426.502 4.117 5 20 IIBD CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 21613125 ZFCCPKNETFYRHU-KBPBESRZSA-N 428.441 4.079 5 20 IIBD CSc1cccc(NC(=O)[C@H](C)OC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1 22183772 TVJPPMPNIJPQHF-JTQLQIEISA-N 439.287 4.263 5 20 IIBD COc1ccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1OCc1ccncc1 31412774 DELZNGONMBFNPX-UHFFFAOYSA-N 445.435 4.015 5 20 IIBD O=C(Nc1nc2c(s1)CCC2)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 43764968 VFJYLOZEDAPMQU-UHFFFAOYSA-N 440.447 4.414 5 20 IIBD CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc([N+](=O)[O-])ccc1N(C)C 57859705 TVCDVWSOOSFNIC-UHFFFAOYSA-N 439.299 4.068 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(Cn2cnc3ccccc32)cc1 61733074 RZWSXHCIKHWHKZ-UHFFFAOYSA-N 431.452 4.323 5 20 IIBD CCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)c2)n1 64918078 YAMFWVCEEBMYID-UHFFFAOYSA-N 447.476 4.283 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C)CCc1ccco1 69573349 FVMNUWZSAMTWSA-HNNXBMFYSA-N 445.497 4.430 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(C(=O)NC2CC2)cc1 105452149 LDGQADFRSCVATD-UHFFFAOYSA-N 439.415 4.237 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCC2(c3ccccc3)CCCC2)ccc1[N+](=O)[O-] 110321258 BCSNNIULEPTIMR-QFIPXVFZSA-N 435.524 4.136 5 20 IIBD COc1cc(CCNC(=O)N[C@@H](C)c2oc3ccccc3c2C)c([N+](=O)[O-])cc1OC 195548464 TUNVFVIARMFXBE-AWEZNQCLSA-N 427.457 4.270 5 20 IIBD CN1CCN(Cc2ccc(CNCc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)cc2)CC1 237091186 MPLORTBIVXNVFS-UHFFFAOYSA-N 436.581 4.361 5 20 IIBD COc1ccc2[nH]cc(C3CCN(c4c([N+](=O)[O-])cc(CO)c(C)c4[N+](=O)[O-])CC3)c2c1 301078232 HMQGCWNZEZCTKV-UHFFFAOYSA-N 440.456 4.178 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCCc3c(C)noc3C)c([N+](=O)[O-])c2)c(C)c1 301213310 YIXZFNLUQCPOHR-UHFFFAOYSA-N 444.513 4.272 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 301413775 ZLVMCJJBHFWZJS-INIZCTEOSA-N 448.882 4.420 5 20 IIBD COc1ccc(N(Cc2ccc(C(C)C)cc2)C(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1 302954529 NKGNCGWBHKHOID-UHFFFAOYSA-N 435.480 4.122 5 20 IIBD O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 426826939 UQZJUMPUPMYNTK-SJQULFJYSA-N 432.480 4.036 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)N[C@H]1CCCC[C@@H]1O 430057885 HLACTKKWJWAUDI-IRXDYDNUSA-N 437.855 4.282 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccc(F)cc1OCC(F)(F)F 432504486 ZRARINWWOBETIC-UHFFFAOYSA-N 439.321 4.241 5 20 IIBD Cn1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)c(=O)c2ccccc21 435441134 AECCIIXFVJYJEJ-UHFFFAOYSA-N 438.490 4.307 5 20 IIBD C[C@@H](NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1ccc2c(c1)CCC(=O)N2 436072189 GABBVFKKHNUOQO-GFCCVEGCSA-N 447.441 4.335 5 20 IIBD CC1CCN([C@H](CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C(C)C)CC1 436109356 KXXJFRWQGRVIDM-OAQYLSRUSA-N 441.522 4.446 5 20 IIBD CN(C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C1CCN(Cc2ccccc2)CC1 444018912 GJJIMPCTECKAGL-UHFFFAOYSA-N 425.532 4.418 5 20 IIBD CC[C@@H](C)Oc1cc(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)ccn1 444287411 MOSJQQMNERRQQI-CYBMUJFWSA-N 437.446 4.462 5 20 IIBD CCOc1ccc(CCNC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1OCC 444827828 KMWWYRGKMQHTBE-UHFFFAOYSA-N 443.319 4.189 5 20 IIBD CC(C)NC(=O)Nc1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 445850878 WILJYYKYJGBGGU-UHFFFAOYSA-N 435.278 4.068 5 20 IIBD COc1ccc(C2(c3noc(COc4ccccc4[N+](=O)[O-])n3)CCCC2)cc1OC 445860844 GFQUFYGUROTCRL-UHFFFAOYSA-N 425.441 4.434 5 20 IIBD C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1nc(C2CCCCC2)no1 446030447 FTNHOORWNWMDAO-NSHDSACASA-N 437.294 4.208 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)NCC1(c2cccc(F)c2F)CCCC1 446897035 URCKJTZCHWOWOZ-UHFFFAOYSA-N 429.427 4.061 5 20 IIBD O=C(Cc1noc(-c2ccc([N+](=O)[O-])cc2Cl)n1)Nc1cccc(C(F)(F)F)c1 460156340 UEYBSRMPKBWIDJ-UHFFFAOYSA-N 426.738 4.498 5 20 IIBD CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCc2c(F)ccc(F)c2C1 460776598 DAILZYWKIZTCHM-UHFFFAOYSA-N 443.454 4.121 5 20 IIBD C[C@@H](NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)c2ccccc12 462222904 IEGJPNZEEVBESS-GFCCVEGCSA-N 425.828 4.187 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 462520037 ZTOIPWPYGMIRBD-HZPDHXFCSA-N 449.287 4.239 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 463103284 DVMFVGKOVFJTRT-UHFFFAOYSA-N 447.426 4.293 5 20 IIBD CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C 464048722 ODKAMIUHWAKXBT-OAHLLOKOSA-N 448.317 4.050 5 20 IIBD CCc1ccc(C(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1[N+](=O)[O-] 471693536 PRQNZSQNFFYALA-UHFFFAOYSA-N 436.537 4.239 5 20 IIBD C[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C2CC2)O1 473338283 XOUIWOAYCHXRPF-XCLFUZPHSA-N 443.887 4.140 5 20 IIBD COc1cc(CCNC(=O)c2ccc(Cl)cc2C(F)(F)F)c([N+](=O)[O-])cc1OC 473502791 CCEIRWWMXRKEOX-UHFFFAOYSA-N 432.782 4.257 5 20 IIBD CCC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c1 475839936 SNDAWSQSGKEWAA-UHFFFAOYSA-N 447.694 4.404 5 20 IIBD COc1c(C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)cccc1[N+](=O)[O-] 476102466 DAEWIOLRDIIAQY-UHFFFAOYSA-N 445.273 4.057 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(N[C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)cc2N1 477016326 ACBJAWJHZPFQQV-CQSZACIVSA-N 435.267 4.004 5 20 IIBD COc1cc(CN2CCO[C@H](c3ccc(F)c(Br)c3)C2)c([N+](=O)[O-])cc1F 481620322 LFHRVAVUOPTCMI-SFHVURJKSA-N 443.244 4.218 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCC[C@H](Cc4nccn4C)C3)c([N+](=O)[O-])c2)cc1 481979846 VLMVCFJBJDNGOU-GOSISDBHSA-N 433.512 4.348 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 483224859 OMIJFOPZNUTVNO-JTQLQIEISA-N 436.394 4.103 5 20 IIBD CCCNC(=O)c1ccc(NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])cc1Cl 483441805 SVBGXSNLATXGCD-UHFFFAOYSA-N 437.905 4.371 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2CC2)c2c(C)cccc21 484427576 NBSGWZXCUWBXLE-UHFFFAOYSA-N 427.526 4.271 5 20 IIBD Cc1cc(NC(=O)NCc2cccc([N+](=O)[O-])c2C)n([C@@H]2CCN(Cc3ccccc3)C2)n1 484501026 DBZCQAAJOGDUTG-OAQYLSRUSA-N 448.527 4.177 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCc2ccnc(Oc3ccccc3F)c2)cc1C 486856194 WTJXZCPQJWNVCM-UHFFFAOYSA-N 431.445 4.017 5 20 IIBD COC(=O)c1cc(NC(=O)NC[C@H](C)CSc2ccccc2OC)c(C)c([N+](=O)[O-])c1 486872378 JAOSRBCOAGSXHG-ZDUSSCGKSA-N 447.513 4.248 5 20 IIBD CCn1c2ccccc2c2cc(NC(=O)CN3CCC(n4ccc([N+](=O)[O-])n4)CC3)ccc21 488779024 DZFUUVGAAFFINW-UHFFFAOYSA-N 446.511 4.195 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(Cl)cc1C(=O)N1[C@H](C)CCC[C@H]1C 488862377 FCOLVPJBAJQUNO-ZIAGYGMSSA-N 447.923 4.185 5 20 IIBD CCn1c(COc2ccc(C)cc2)nnc1SCCC(=O)Nc1ccc([N+](=O)[O-])cc1 489458395 RRYCTAXXJSUVAQ-UHFFFAOYSA-N 441.513 4.215 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2nc3ccc(NC(C)=O)cc3s2)cc1SC 490182130 LLIYDEYUCSHHDP-UHFFFAOYSA-N 432.483 4.146 5 20 IIBD Cc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)c([N+](=O)[O-])c1 490444036 KXXXGNAYKZOHKS-DYVFJYSZSA-N 444.431 4.073 5 20 IIBD CCOc1ccc(NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)cc1Br 490483527 KNQMTRSDJCJNIG-UHFFFAOYSA-N 425.235 4.026 5 20 IIBD COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 490747165 VSMQKRIKMFQKOE-SFHVURJKSA-N 438.933 4.336 5 20 IIBD O=C(NCC[C@@H]1C(=O)Nc2ccccc21)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 491216858 BYILZBDBXCZNSN-IBGZPJMESA-N 430.464 4.063 5 20 IIBD C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 494877901 JLYMFTREYFITTK-GFCCVEGCSA-N 426.304 4.076 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccc(F)c(F)c3)cc2)cc1[N+](=O)[O-] 497127674 XFNSIOOXVKCLSZ-UHFFFAOYSA-N 447.419 4.235 5 20 IIBD C[C@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccc(NC(=O)c2ccncc2)cc1 498122580 IYPVOBVSMOEJRN-HNNXBMFYSA-N 441.447 4.281 5 20 IIBD CN(C)CCN(Cc1ccccc1)C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 500404954 JFSQVZFVAQEIGL-UHFFFAOYSA-N 441.475 4.296 5 20 IIBD COc1ccc(-c2nc(C[S@@](=O)Cc3cc([N+](=O)[O-])cc4c3OCOC4)cs2)cc1 501287821 ULYQPMVLJFUNKY-PMERELPUSA-N 446.506 4.042 5 20 IIBD CCCOc1cc(NC(=O)C(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])cc1OCCC 503389966 ORYYDARGGZCSPJ-OWCLPIDISA-N 435.521 4.052 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(C(=O)c2ccsc2)CC1 505799327 OYBGGWIBJBTWQH-UHFFFAOYSA-N 433.555 4.147 5 20 IIBD CCC[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C(=O)Nc1cccc(N2CCCC2)c1 506027052 ZHFGTWQUJSMIRS-OAQYLSRUSA-N 449.511 4.214 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 508038108 KJZOACTYCPPMTQ-OAHLLOKOSA-N 447.944 4.104 5 20 IIBD COc1cc([C@H](NCc2c(F)cc([N+](=O)[O-])cc2F)C(F)(F)F)cc(OC)c1OC 509034044 SMTYTBLUTXMVMH-KRWDZBQOSA-N 436.333 4.292 5 20 IIBD Cc1nn(-c2ccccc2)cc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 510115954 DRIRAFYIJMXZAX-UHFFFAOYSA-N 427.269 4.197 5 20 IIBD COc1ccc([C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C(C)C)cc1 510714283 GCPUUHKXMFAYBP-IBGZPJMESA-N 436.306 4.291 5 20 IIBD COc1ccc(-c2nc(SCc3cc([N+](=O)[O-])ccc3OC(C)C)n[nH]2)c(OC)c1 511111586 WAGLJOCNFHZBCG-UHFFFAOYSA-N 430.486 4.477 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(NC(=O)c2ccc(C)cc2)c1 511227279 AWBJRSGWBWVBKR-UHFFFAOYSA-N 434.452 4.486 5 20 IIBD Cc1cc(Cl)ccc1OCC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 512608656 WOZMZIVBAAXZSF-KRWDZBQOSA-N 434.876 4.135 5 20 IIBD COC(=O)c1ccc(CNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)o1 513278755 HRNCBWARLFETJQ-UHFFFAOYSA-N 443.843 4.170 5 20 IIBD COc1ccc([C@H](C)NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(C)c1OC 513415316 RESPVHPYQXAEJP-INIZCTEOSA-N 443.500 4.234 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCc2ccc(CN(C)C)cc2)cc1[N+](=O)[O-])c1ccccn1 516600361 MGWFVMCBXMWQOI-QGZVFWFLSA-N 433.512 4.155 5 20 IIBD O=C(NC[C@H]1CCCO1)Nc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 516715712 DHALBQHDPVRSRH-OAHLLOKOSA-N 433.852 4.193 5 20 IIBD O=C(NCCOc1ccccc1-c1ccccc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 519048618 RHWYQFLNONTLGB-UHFFFAOYSA-N 428.448 4.256 5 20 IIBD COC(=O)c1c(F)cccc1NC(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 521533839 MRGNIGHIJLYNTQ-OKILXGFUSA-N 429.448 4.255 5 20 IIBD CC(=O)c1ccc(CC(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)cc1 524022287 NTQQJMJWKJNLNH-UHFFFAOYSA-N 430.420 4.424 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](CC(=O)N(C)C)c2cc(Cl)ccc21 525024183 PLHXRRVPTCRORU-UONOGXRCSA-N 447.944 4.338 5 20 IIBD CN(Cc1ccco1)Cc1ccccc1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 525096262 VQUSXYLLEGWQMZ-UHFFFAOYSA-N 425.510 4.228 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)ccc1O 525372267 ZONYTVQZCGCEHZ-UHFFFAOYSA-N 442.824 4.409 5 20 IIBD CC(C)N(Cc1ncc(-c2ccc3c(c2)OCO3)[nH]1)C(=O)CCc1cccc([N+](=O)[O-])c1 531266123 WRTFFMGCTFYMTI-UHFFFAOYSA-N 436.468 4.083 5 20 IIBD COc1cc(C(=O)N(C)C)ccc1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 531464882 ZMZIHUIHPPOVCW-UHFFFAOYSA-N 448.479 4.170 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 532499008 ILPXQCXGWWCOGD-GFCCVEGCSA-N 444.435 4.038 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CC[C@@H](C4CCOCC4)C3)cc2[N+](=O)[O-])n1 533685953 OZEJKRMBXBIEFS-MRXNPFEDSA-N 433.555 4.400 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 536686469 OAMXANJOONLUAG-UHFFFAOYSA-N 428.464 4.085 5 20 IIBD Cc1nn(C)c(C(=O)N(Cc2ccccc2)Cc2ccc(Br)cc2)c1[N+](=O)[O-] 536812731 YSNGEYYGSISKHY-UHFFFAOYSA-N 443.301 4.242 5 20 IIBD Cc1nc(-c2ncccn2)sc1C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 538254814 UKXOIHWGLSNREA-UHFFFAOYSA-N 438.494 4.217 5 20 IIBD C[S@@](=O)Cc1cc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])ccc1Cl 538323451 NJPFNDOIEMLMSR-GDLZYMKVSA-N 429.885 4.441 5 20 IIBD Cn1cc(N2CCN(Cc3ccc(Oc4ccccc4Cl)c([N+](=O)[O-])c3)CC2)cn1 538740095 JCKDLYYKKJMYJN-UHFFFAOYSA-N 427.892 4.096 5 20 IIBD CCC[C@@H](NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 539077058 OXBWLSOAXGVZHX-JOCHJYFZSA-N 431.558 4.127 5 20 IIBD NS(=O)(=O)c1cc(N[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)cc([N+](=O)[O-])c1 539610811 CSHJUERKOSADSC-DLBZAZTESA-N 429.420 4.009 5 20 IIBD COc1cc(CNc2cccc(CS(=O)(=O)C3CCCCC3)c2)c([N+](=O)[O-])cc1OC 539932764 WJNWCRGCKGOVPP-UHFFFAOYSA-N 448.541 4.472 5 20 IIBD Cc1ccc(-n2nc(C)c(NC(=O)Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)c2C)cc1 540855879 AGELXYCSMKNAMQ-UHFFFAOYSA-N 430.468 4.208 5 20 IIBD COc1ccc(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)cc1[N+](=O)[O-] 542001353 JZNYSCUHJBZHQX-UHFFFAOYSA-N 433.464 4.248 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 542180455 VXVKAHGKLFLFRF-OAHLLOKOSA-N 438.328 4.271 5 20 IIBD Cc1ccc(-c2nc(C)c([C@@H](C)NC[C@@H](O)COc3cccc([N+](=O)[O-])c3)s2)cc1 543515728 KELVCQDWKBLABX-DNVCBOLYSA-N 427.526 4.426 5 20 IIBD CC(C)NC(=O)Nc1ccc(-c2noc(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1 546340480 AATDWIOCEUJBEA-UHFFFAOYSA-N 436.472 4.442 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CN2C(=O)CCCC2=O)cc1 546866307 GKVQLPWRUUOPCL-UHFFFAOYSA-N 441.509 4.387 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C3)cs1 547767203 RTFCZZZRZOBMTF-UHFFFAOYSA-N 428.539 4.399 5 20 IIBD Cc1n[nH]cc1CNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 547974490 NXDNUKOQFJPQKE-YBEGLDIGSA-N 433.493 4.483 5 20 IIBD CN(Cc1ccc(F)cc1F)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCO1 549586657 KWFCVPQQRFPYSZ-LJQANCHMSA-N 443.454 4.337 5 20 IIBD O=C(c1ccc(N2Cc3ccccc3[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1)N1CCOCC1 555124493 PQVIYCIDXFQVJG-QHCPKHFHSA-N 443.503 4.219 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(Br)c2Cl)c2ncccc12 555458845 JONJIAISVKCIOC-UHFFFAOYSA-N 442.678 4.360 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)Cc1ccnc(-c2ccc(Br)cc2)n1 558739063 BNQVADYXLWTRPA-UHFFFAOYSA-N 427.302 4.489 5 20 IIBD O=C(NC[C@H](NCc1ccccc1)c1ccco1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 561083311 JJVKZFASYLGIGF-KRWDZBQOSA-N 433.386 4.468 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(CC(=O)N[C@H](C)c2ccc(OC)cc2)no1 565329490 FRXDSALOIUNTPP-WBVHZDCISA-N 438.484 4.143 5 20 IIBD Cc1cc2sc(C(=O)N3CCN(C(=O)c4ccccc4[N+](=O)[O-])CC3)c(C)c2cc1C 575778254 ONIGPVCRJFIAQJ-UHFFFAOYSA-N 437.521 4.333 5 20 IIBD CCOCC(C)(C)CNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 576665502 SOHPDKMORQEMGS-UHFFFAOYSA-N 436.512 4.169 5 20 IIBD CC(C)(C)c1ccc(-c2nc(CC(=O)NCc3ccc([N+](=O)[O-])cc3)no2)cc1Cl 576989286 ACXFLXLOEZHIRW-UHFFFAOYSA-N 428.876 4.455 5 20 IIBD CCC[C@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 579067602 MVKZGFKFUFOJMK-JTSKRJEESA-N 438.528 4.222 5 20 IIBD C[C@H](Nc1ncnc2sc([N+](=O)[O-])cc12)c1cc2c(cc1Br)OCCO2 587472990 BFMKBZJCCHCPNF-QMMMGPOBSA-N 437.275 4.306 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 587803020 ROOKTYLJKPHFIW-KLIQENQMSA-N 430.888 4.047 5 20 IIBD CCCOc1cc(NC(=O)N[C@@H]2CC[C@@](O)(C(F)(F)F)C2)c([N+](=O)[O-])cc1OCCC 590104387 QSFLWUZVCPYRCX-XIKOKIGWSA-N 449.426 4.140 5 20 IIBD CC[C@H](C)NC(=O)CN(c1ccc([C@H](C)CC)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 596921354 YLACUAZRYQPGGA-SJORKVTESA-N 447.557 4.218 5 20 IIBD O=C(NCCn1ccnc1)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 603452203 AGPUOBXGPGDTDX-UHFFFAOYSA-N 436.415 4.391 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 603572669 BAJDRUQQUMTLNL-GHMZBOCLSA-N 427.345 4.423 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 603733418 XGDBNJOCBGSGPM-UHFFFAOYSA-N 433.386 4.318 5 20 IIBD O=C(Nc1cccc(COCCOc2ccccc2)c1)c1n[nH]c2ccc([N+](=O)[O-])cc12 604102051 GIROZTFGXZIFSK-UHFFFAOYSA-N 432.436 4.319 5 20 IIBD Cc1sc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)nc1-c1ccccc1 604514871 JVPORISQRXEHKU-UHFFFAOYSA-N 438.465 4.354 5 20 IIBD CCOc1cc(C(=O)N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OC 604519173 QAHKMFCEFJBDGP-JTSKRJEESA-N 428.485 4.242 5 20 IIBD O=C(Nc1ccc(F)cc1)[C@H]1CCc2ccccc2N1C(=O)COc1ccccc1[N+](=O)[O-] 608872886 SURYAVMZHLPPCJ-OAQYLSRUSA-N 449.438 4.099 5 20 IIBD CCCCC1CCC(C(=O)Nc2ccc(CNC(=O)Cn3ccc([N+](=O)[O-])n3)cc2)CC1 608899105 ORRPNCCFQJJAHG-UHFFFAOYSA-N 441.532 4.043 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCc3c(Br)cccc32)cc1OC 609022335 DVUKMOOVYYIHJS-HNNXBMFYSA-N 435.274 4.182 5 20 IIBD CC(C)(NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1 609382115 LAVOHXSSNPIZQW-UHFFFAOYSA-N 432.480 4.354 5 20 IIBD CN(C)[C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1c(F)cccc1F 609664040 GLHGWNTWFSESOQ-QGZVFWFLSA-N 432.452 4.029 5 20 IIBD Cc1cc(F)ccc1N1CCC[C@H](Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 609765656 ICRXLELAHKBPQG-SFHVURJKSA-N 437.475 4.088 5 20 IIBD COc1ccc(CCNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cc1 609852634 UZRHHDGBGILWCF-UHFFFAOYSA-N 435.267 4.068 5 20 IIBD CCc1c(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)nnn1-c1cccc(Cl)c1 610046683 AFQQSTWGEDLYMB-UHFFFAOYSA-N 427.892 4.144 5 20 IIBD COc1ccc(SCCC(=O)Nc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)cc1OC 610121505 FTBTVSHUXLTFIP-UHFFFAOYSA-N 442.497 4.227 5 20 IIBD COc1ccc(CNc2ccccc2Cn2cncn2)cc1OCc1ccc([N+](=O)[O-])cc1 610910487 WLUDOXHVFWWXBE-UHFFFAOYSA-N 445.479 4.434 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)Nc1ccc(SC(C)(C)C)cc1C 726291255 FIKRZFDIPMIALQ-UHFFFAOYSA-N 431.514 4.057 5 20 IIBD Cc1nc([N+](=O)[O-])c(Br)n1CC(=O)N[C@@H](c1ccccc1)C1CCCCC1 726430834 AKGHYQSRCAGNLE-KRWDZBQOSA-N 435.322 4.300 5 20 IIBD COC(=O)N1CCC[C@H](NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 726554100 NFVMDDYMERHPDR-HNNXBMFYSA-N 433.848 4.001 5 20 IIBD O=C(Nc1cccc2[nH]ccc12)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 726799149 DEWHAWIYVSFIPV-UHFFFAOYSA-N 437.433 4.096 5 20 IIBD COc1ccc(CC(=O)OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1[N+](=O)[O-] 727883396 MQNMCRJTJHLFCR-UHFFFAOYSA-N 447.658 4.288 5 20 IIBD O=C(OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1ccc(OC2CCCC2)cc1 730704202 RIPBVNOCOUZPNU-GOSISDBHSA-N 438.480 4.378 5 20 IIBD C[C@H](OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 736865142 FANCGIQRZIIVRH-YFKPBYRVSA-N 438.692 4.128 5 20 IIBD COc1cc(N2CCC(OC(=O)c3ccc(N4CCC(C)=N4)cc3)CC2)ccc1[N+](=O)[O-] 739379536 GWRIGGAYYYIQEW-UHFFFAOYSA-N 438.484 4.015 5 20 IIBD CCCCNC(=O)c1ccc(Cl)cc1OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 742365954 XTFJXJGHWDOBSH-UHFFFAOYSA-N 440.283 4.449 5 20 IIBD COc1cc(OCC(=O)Nc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)ccc1[N+](=O)[O-] 742888767 YYIYWGZDTCWGMF-AWEZNQCLSA-N 445.472 4.207 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F 743758932 DBMLWFQLAFIUPR-SKHCZCESSA-N 448.319 4.193 5 20 IIBD C[C@@H](CCc1cccc(F)c1)C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 744116880 NGWCWLVLGFRZNT-LPHOPBHVSA-N 428.460 4.151 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@H]3C[C@@]34CCc3ccccc34)CC2)ccc1[N+](=O)[O-] 744204548 PMGJJMRECMHUIA-PXDATVDWSA-N 436.508 4.410 5 20 IIBD CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 744383119 DXFPDLJTLPNJBN-KRWDZBQOSA-N 446.345 4.342 5 20 IIBD CCN(CC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1)C(=O)OC(C)(C)C 744714693 YZTCMHBKARBKDE-UHFFFAOYSA-N 431.489 4.450 5 20 IIBD COc1c(C)cnc(CNC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1C 747675138 IDMAOZZYCPTKHC-HUUCEWRRSA-N 426.517 4.028 5 20 IIBD C[C@@H](Oc1ccccc1Cl)C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 750660742 BVTMHRLOGAPCOG-LLVKDONJSA-N 439.693 4.363 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)C[C@]1(O)CCc2ccccc21 752662144 RENVXSUJNQBGHF-RUZDIDTESA-N 431.492 4.141 5 20 IIBD COCCCCN(C(=O)c1cc(F)c([N+](=O)[O-])cc1F)c1ccc(Br)cn1 752922302 AMDUETQJALPVIP-UHFFFAOYSA-N 444.232 4.104 5 20 IIBD COc1cc(N)c([N+](=O)[O-])cc1C(=O)O[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 753456097 YSVAJOCQNXFWNM-AWEZNQCLSA-N 435.436 4.356 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)CSc2ccccc2[N+](=O)[O-])cc1 755671207 MLNLFWVRJYSPGL-UHFFFAOYSA-N 431.514 4.393 5 20 IIBD C[C@@H](OC(=O)CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCCCC2)cc1 756535208 MYZSGQCENOUJJI-QGZVFWFLSA-N 425.485 4.088 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 760817247 XJGPIDFEXYDHDN-OAHLLOKOSA-N 443.656 4.364 5 20 IIBD O=C(Nc1ccccc1OCC(F)F)c1ccc(I)c([N+](=O)[O-])c1 762388240 VVSPRFNPGGVNHY-UHFFFAOYSA-N 448.163 4.096 5 20 IIBD O=C(NCCc1ccccc1)c1ccc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)cc1 763427571 ROABDPVCRIUHDN-UHFFFAOYSA-N 425.391 4.098 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1oc2ccccc2c1C 763809787 HDLPAIUGXZSVBZ-UHFFFAOYSA-N 429.450 4.428 5 20 IIBD CCc1c(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1-c1ccccc1C 770557963 DAMNEMRUATVBOO-UHFFFAOYSA-N 433.424 4.058 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)C2(C)CCN(Cc3ccccc3)CC2)cccc1[N+](=O)[O-] 772723541 JGOQAOOPJJZQJE-SFHVURJKSA-N 439.512 4.076 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCc2sc(Br)cc2C1 772726936 KZXONRFHMRIXDX-UHFFFAOYSA-N 436.331 4.218 5 20 IIBD COc1cc(C(=O)OCC(=O)c2cc(C)no2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 777039376 IUEASGLEVUOXEE-UHFFFAOYSA-N 446.799 4.385 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])nn1-c1ccc(Cl)c(Cl)c1 777148897 SZFMKZITLSBMHJ-UHFFFAOYSA-N 449.250 4.191 5 20 IIBD O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)C1(c2ccc(F)cc2F)CCC1 777315790 HLVWTIAZULIDAU-UHFFFAOYSA-N 431.439 4.150 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Oc1cccc(NC(=O)c2cccs2)c1 778000987 RQKIEXGTYJQHSN-UHFFFAOYSA-N 436.442 4.124 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@](O)(c1ccccc1)C(F)(F)F 780463149 BHCZSDOQWIEHLD-SFHVURJKSA-N 428.432 4.277 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccnn1[C@H]1CCCc2ccccc21 781629858 BHNMZOSSNPQEQP-IBGZPJMESA-N 435.440 4.197 5 20 IIBD COc1ccc(-c2noc([C@H](C)OC(=O)c3ccc(Br)c([N+](=O)[O-])c3)n2)cc1 781821508 HHBWCRGZMYADJH-JTQLQIEISA-N 448.229 4.334 5 20 IIBD C[C@@H](OC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1nnc(-c2cccc(Cl)c2)o1 782884372 NMGHPYVTXZEPAH-GFCCVEGCSA-N 439.815 4.402 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2cnc(OCC(C)C)c(Cl)c2)cccc1[N+](=O)[O-] 783276747 ORPWBUDSVVJIND-ZDUSSCGKSA-N 435.864 4.170 5 20 IIBD COc1ccc(CSCC(=O)O[C@@H](C)c2noc(-c3ccccc3)n2)cc1[N+](=O)[O-] 784648551 KIVCXQAQLIWICM-ZDUSSCGKSA-N 429.454 4.191 5 20 IIBD Cc1ccc(F)c(C(=O)O[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1Br 785121287 OJMFMVUOXSHOPV-SECBINFHSA-N 443.200 4.128 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1 785853434 UHOFIZFMORQMPR-UHFFFAOYSA-N 440.500 4.382 5 20 IIBD CC1CCN(c2nnc(SCc3ccc([N+](=O)[O-])c(F)c3)n2C[C@@H]2CCCO2)CC1 787492267 ZLPNUYDFIDMSGG-INIZCTEOSA-N 435.525 4.033 5 20 IIBD Cc1nc(-c2cccc(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)c2)oc1C 790393012 AOACSIYTWQSSIF-UHFFFAOYSA-N 446.441 4.192 5 20 IIBD CCOc1ccc([C@H]2CCCN2S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1 790823252 BDKNIZUKRXEAOA-QGZVFWFLSA-N 449.485 4.044 5 20 IIBD Cc1cccc2c(CC(=O)N3CCc4c(Br)ccc([N+](=O)[O-])c4C3)c[nH]c12 791171903 IJNDQBXHBWMUTD-UHFFFAOYSA-N 428.286 4.274 5 20 IIBD O=C(CCc1cnc2ccccc2c1)Oc1cc([N+](=O)[O-])ccc1I 791725643 WMYLPQZCNOWEMG-UHFFFAOYSA-N 448.216 4.286 5 20 IIBD C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 793600599 UQPUEUHTGCTPAZ-AUUYWEPGSA-N 447.417 4.292 5 20 IIBD CC1(c2cccc(Cl)c2)CCN(Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)CC1 794705966 SFJCHDFXUYBHEQ-UHFFFAOYSA-N 438.915 4.483 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2c(-c3ccccc3C)noc2C)c([N+](=O)[O-])c1 796219916 UAYWFHRFIBUMMP-UHFFFAOYSA-N 439.424 4.061 5 20 IIBD COc1ccccc1O[C@@H]1CCCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 796568273 VJMOIDXNSAKANJ-GDBMZVCRSA-N 433.892 4.127 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CCOC[C@H]1c1nc2ccccc2s1 800236126 CHTWWZMHBZIRCS-AWEZNQCLSA-N 448.298 4.181 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 801920905 UMSCHYZTKNENDC-LLVKDONJSA-N 428.247 4.307 5 20 IIBD CC(C)[C@@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccc(F)cc1 801954478 DRYTVUCJQULABZ-JOCHJYFZSA-N 443.475 4.004 5 20 IIBD CC(C)(C)OC(=O)N1Cc2ccc(CNc3ncnc4sc([N+](=O)[O-])cc34)cc2C1 804630975 KMVHYUDRBLOPGH-UHFFFAOYSA-N 427.486 4.462 5 20 IIBD COc1ccc(-c2ocnc2C(=O)O[C@@H]2CCCN(c3ccc(F)cc3[N+](=O)[O-])C2)cc1 809003266 OSADATCKCIHFME-QGZVFWFLSA-N 441.415 4.223 5 20 IIBD Cc1ccc(C2(c3noc(-c4ccc(-n5ccnc5)c([N+](=O)[O-])c4)n3)CCOCC2)cc1 809521443 LNELBGKENBULAQ-UHFFFAOYSA-N 431.452 4.235 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811374103 ARHFZLLAZWTOCC-UHFFFAOYSA-N 439.167 4.217 5 20 IIBD C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Br)cc1OCCCO 812484891 BMFIJAMSLTYUGT-NSHDSACASA-N 440.250 4.200 5 20 IIBD O=C(O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])C1CCC(OC[C@H]2CCCO2)CC1 816005313 HXRIDOLMAHHYOR-ZZHIBBPDSA-N 440.496 4.377 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)Nc2c(F)cccc2F)cc1 912706543 XAASELQMFRVBGU-UHFFFAOYSA-N 448.403 4.201 5 20 IIBD Cc1sc(-c2ccco2)nc1C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 913309379 GRDTUSNHRQSRDP-VIFPVBQESA-N 435.845 4.457 5 20 IIBD C[C@@H](OC(=O)c1cc(Cl)ccc1Br)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 913344706 INDIRFQTQGPYAJ-MRVPVSSYSA-N 445.628 4.334 5 20 IIBD C[C@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(=O)Nc1ccc(OC(F)(F)F)cc1 917263429 OJMZOLWGTCLJGE-JTQLQIEISA-N 438.314 4.424 5 20 IIBD O=C(OCCCOc1ccc([N+](=O)[O-])cc1)c1nccnc1-c1nc2ccccc2s1 919040243 XBTVONQDGYJGMN-UHFFFAOYSA-N 436.449 4.287 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2cccc(N3CCOC3=O)c2)cc1[N+](=O)[O-])c1ccccn1 919712167 AKYZYEYRWVJNBQ-HNNXBMFYSA-N 447.451 4.372 5 20 IIBD CCc1ccc(C(=O)Nc2ncc(C(O)(C(F)(F)F)C(F)(F)F)s2)cc1[N+](=O)[O-] 1116180676 PQHCNFTUWIXYAT-UHFFFAOYSA-N 443.325 4.178 5 20 IIBD COc1cc(COC(=O)Cc2coc(-c3ccccc3)n2)c([N+](=O)[O-])cc1OC(F)F 1317745625 SMDVFTULCZFLRC-UHFFFAOYSA-N 434.351 4.146 5 20 IIBD COc1cc(COC(=O)[C@@H](C)c2ccc(F)cc2F)c([N+](=O)[O-])cc1OCC(F)F 1319937694 REJIIWZHGADYHN-JTQLQIEISA-N 431.338 4.372 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](c1ccccc1)c1noc(COc2ccccc2[N+](=O)[O-])n1 1322831493 JFFRRPQWDQRIQS-SFHVURJKSA-N 426.429 4.171 5 20 IIBD Cc1ccc(OCc2nc(Cc3nnc(COc4ccccc4[N+](=O)[O-])o3)cs2)cc1 1341398682 QVKSRXRJXYKYHA-UHFFFAOYSA-N 438.465 4.492 5 20 IIBD CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4nc[nH]c4[N+](=O)[O-])CCC3)cc2)cc1 1790339243 SYUFIRIKSKROHV-UHFFFAOYSA-N 447.495 4.332 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)NC1(c2ccc(NC(=O)[C@@]3(C)C[C@@H]3C)cc2)CCC1 1790424464 IZLDRDSLMVDXIH-WNSKOXEYSA-N 437.496 4.403 5 20 IIBD CC(=O)C[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)CCC1 1790624110 AHGAGLBNLNFESF-AWEZNQCLSA-N 441.459 4.097 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCC2(CCCN(C(=O)C3CCCCC3)C2)CC1 1808971833 HQPYYJLMUDGARL-UHFFFAOYSA-N 445.535 4.088 5 20 IIBD Cc1c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C(C)C)n[nH]2)cc(Cl)cc1[N+](=O)[O-] 1816730742 HNKSVQDFZVCUBK-MRXNPFEDSA-N 433.896 4.242 5 20 IIBD CC[C@@H](C(=O)N1CC2(CCCN2C(=O)c2c(F)ccc([N+](=O)[O-])c2C)C1)c1ccccc1 1845492807 SBOCAWMNDZEOOA-GOSISDBHSA-N 439.487 4.053 5 20 IIBD CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 12047434 XKRJGSVZIJMTPI-OAHLLOKOSA-N 432.860 4.456 5 20 IIBD CCCOc1c(Cl)cc(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 12251759 WPGHFBAPCLGVGK-GFCCVEGCSA-N 436.848 4.230 5 20 IIBD COc1ccc([C@@H]2CCCN2C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 15600557 HRMUWTHSJMTYSA-QFIPXVFZSA-N 434.496 4.442 5 20 IIBD COc1ccc([C@H]2CCCN2C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 15600558 HRMUWTHSJMTYSA-JOCHJYFZSA-N 434.496 4.442 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1 16226751 RSQBVFLEPDBQEX-UHFFFAOYSA-N 449.554 4.052 5 20 IIBD COc1ccc(NC(=O)COC(=O)CCc2ccc(-c3ccccc3F)o2)c([N+](=O)[O-])c1 16320303 NRTRNJKYABZSHN-UHFFFAOYSA-N 442.399 4.117 5 20 IIBD C[C@H](OC(=O)c1c[nH]c2ccc(Br)cc12)C(=O)Nc1cccc([N+](=O)[O-])c1 16327436 NWQFUEZCZRIAIB-JTQLQIEISA-N 432.230 4.023 5 20 IIBD CCn1cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c2ccccc21 16402544 LIXPGMYRAOCCKZ-UHFFFAOYSA-N 435.358 4.384 5 20 IIBD O=C(CSc1nc2ccccc2c(=O)n1C1CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 18964428 CQTUBUPSXJHLHW-UHFFFAOYSA-N 430.873 4.024 5 20 IIBD COc1ccc(-c2cc3nc(CN(C)Cc4ccccc4[N+](=O)[O-])[nH]c(=O)c3s2)cc1 26348942 FDBCDWHEPRJNJP-UHFFFAOYSA-N 436.493 4.200 5 20 IIBD COCCOc1ccc(C(F)(F)F)cc1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 27173318 VZZMQRWSZTVAPC-ZDUSSCGKSA-N 441.406 4.386 5 20 IIBD COc1cccc(NC(=O)COC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 28612744 QWQUQRUJKLXZMK-UHFFFAOYSA-N 435.436 4.011 5 20 IIBD O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])Nc1ccc(OC(F)F)c(Cl)c1 28936162 WEEYFQMHEWUHMX-UHFFFAOYSA-N 435.166 4.299 5 20 IIBD Cc1c(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccn2)cccc1[N+](=O)[O-] 64781230 AOOMWFJZYLMZQN-UHFFFAOYSA-N 428.452 4.470 5 20 IIBD Cc1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1C(=O)N1CCCC1 64785337 RBQHZYSVGZRPAG-AWEZNQCLSA-N 431.876 4.199 5 20 IIBD C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)c1cccc([N+](=O)[O-])c1 108291389 VGPWXTLXABDRGU-SGTLLEGYSA-N 436.295 4.384 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)cc1OC 108350004 BTRLZBXORSGAKT-UHFFFAOYSA-N 441.484 4.061 5 20 IIBD CC(C)(CCS(C)(=O)=O)NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 236591254 YRIDYPILUKTXNV-UHFFFAOYSA-N 426.922 4.343 5 20 IIBD Cc1ccc(OCc2nc(CN3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)cs2)cc1 237944293 ATQXWVQKRUUICV-MRXNPFEDSA-N 425.514 4.020 5 20 IIBD CS(=O)(=O)c1ccccc1-n1cc(Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cn1 302279597 JWYDLXMMEVDRLZ-UHFFFAOYSA-N 427.269 4.234 5 20 IIBD Cn1cc(C(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 410391681 VVWBZMFVKGDNBH-UHFFFAOYSA-N 438.337 4.328 5 20 IIBD C[C@@H]1CN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC[S@](=O)C1 432608181 RQTCPMHYYUFBLA-QYSRSOONSA-N 438.958 4.240 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCN(CC2CCCCC2)CC1 436305107 HTUBQPBYBGVDEJ-UHFFFAOYSA-N 439.506 4.298 5 20 IIBD O=C(NCc1ccc(-n2ccnc2)c(F)c1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436307048 MIPJIJZWYXKNAJ-UHFFFAOYSA-N 448.404 4.214 5 20 IIBD O=C(c1cc(O)nc2c(Br)cccc12)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437466358 JSVMCQUNYCEZCZ-UHFFFAOYSA-N 442.269 4.416 5 20 IIBD CCN(Cc1ccccn1)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 437953961 LZBDKPFZZZORDN-UHFFFAOYSA-N 436.434 4.274 5 20 IIBD COc1ccc(NC(=O)C(=O)Nc2cccc(CO[C@@H]3CCC[C@H](C)C3)c2)cc1[N+](=O)[O-] 438729146 ZUAQRBHQHLFVBE-HNAYVOBHSA-N 441.484 4.276 5 20 IIBD COc1ccc([C@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c2ccccc2OC)cc1 443884089 MLUXQAZEKHIZRS-QFIPXVFZSA-N 442.493 4.217 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 445156040 GYZDQXMSWZPZDA-WBVHZDCISA-N 426.256 4.032 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)c1cccc([N+](=O)[O-])c1 447632830 PRDVQCWZEJSYHH-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD COc1ccc([C@H]2CCCCCN2C(=O)COc2ccc([N+](=O)[O-])cc2C(C)=O)cc1 447790669 BSCBFAXOJBOGMY-OAQYLSRUSA-N 426.469 4.329 5 20 IIBD CCCCn1ncc(NC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C 448288981 GONWZDLSGZJDRM-UHFFFAOYSA-N 428.415 4.152 5 20 IIBD O=C(Nc1ccc(Cl)cc1OC(F)F)N1CCN(c2ccccc2[N+](=O)[O-])CC1 460264324 XLEVDORQDZXXCV-UHFFFAOYSA-N 426.807 4.204 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 462618139 DOSJYAVRUVIDHM-IRXDYDNUSA-N 433.455 4.160 5 20 IIBD CN(CC(=O)Nc1cccc(COCC(F)(F)C(F)F)c1)c1ccccc1[N+](=O)[O-] 463131351 ZACLODTUYJQXJZ-UHFFFAOYSA-N 429.370 4.087 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N[C@H]2CCN(CC3CCCC3)C2)cc1[N+](=O)[O-])c1ccccn1 464337822 OZHZBBKAHPPHBX-XLIONFOSSA-N 437.544 4.157 5 20 IIBD Cc1cc(=O)cc(C)n1CCCC(=O)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] 464442535 OEGJLKKGQBSWQB-UHFFFAOYSA-N 435.480 4.371 5 20 IIBD CC(C)c1nnc(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)s1 465388344 MVLHXXZENDDYPO-ZDUSSCGKSA-N 426.502 4.068 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C1CCN(C(=O)c2ccc(Cl)s2)CC1 466264025 CENAOCXCCNSTRT-UHFFFAOYSA-N 442.324 4.132 5 20 IIBD C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[S@](=O)Cc1cc([N+](=O)[O-])cc2c1OCOC2 467248071 JRYUJEZGUYCBKW-BSUMYADNSA-N 449.872 4.175 5 20 IIBD CNC(=O)c1ccc(N2CCC[C@@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)c([N+](=O)[O-])c1 468909324 KGFSZVHUMXLVNG-GOSISDBHSA-N 425.876 4.339 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](c3ccccc3)c3ccccc32)cc1OC 470219351 KFNHHCNEWQGVEN-FQEVSTJZSA-N 448.475 4.421 5 20 IIBD Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N3CCS[C@H]3c3ccc([N+](=O)[O-])cc3)n2)n1 476119770 JNAOJLQVSQAZLG-FQEVSTJZSA-N 443.916 4.334 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)cc1[N+](=O)[O-] 477127959 NYFOEERWVLLIGG-JTQLQIEISA-N 429.782 4.391 5 20 IIBD Cc1ccc(-c2ccc(C)c(NC(=O)CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])c2)o1 477545071 MURVXPJWMMGBGS-UHFFFAOYSA-N 427.844 4.494 5 20 IIBD Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)N2CCOCC2)o1 478292256 WQSGYGGVXJPPPA-IBGZPJMESA-N 447.557 4.048 5 20 IIBD COc1ccc(CNCCc2nn(C)c3ccccc23)cc1OCc1ccc([N+](=O)[O-])cc1 479399239 VIIDVYHYCHRYSG-UHFFFAOYSA-N 446.507 4.401 5 20 IIBD CCc1nnc(-c2ccc(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])cc2)o1 482511083 OTWKZBZCPIPSEV-UHFFFAOYSA-N 436.346 4.401 5 20 IIBD CCOC(=O)c1csc([C@@H]2CCCN2Cc2cc([N+](=O)[O-])ccc2OC(F)F)n1 483420633 KXUIIUFXGNHQCM-AWEZNQCLSA-N 427.429 4.167 5 20 IIBD CC[C@@H](CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Oc1ccccc1F 484011535 UHQJCVMJQARGGE-KRWDZBQOSA-N 431.464 4.144 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCN(Cc2ccccc2Cl)CC1 484300666 DKLOVECNRLAHRO-UHFFFAOYSA-N 445.950 4.153 5 20 IIBD COC(=O)[C@H]1CCCC[C@@]1(C)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 486460100 NNKRMNDZXNIVOJ-AUSIDOKSSA-N 426.469 4.026 5 20 IIBD COc1ccc(C)cc1-n1ccc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 486720126 JCDWMKKEZYUAMA-UHFFFAOYSA-N 434.374 4.046 5 20 IIBD C[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 487299406 OTGGGQAXERKKBO-AEFFLSMTSA-N 431.920 4.044 5 20 IIBD O=C(CN(CCOc1ccccc1[N+](=O)[O-])Cc1cccnc1)Nc1ccc(Cl)cc1 488769774 IRUZCBVMXWYBQE-UHFFFAOYSA-N 440.887 4.163 5 20 IIBD COc1cc(C(=O)Nc2nc3c(C(F)(F)F)cccc3s2)c([N+](=O)[O-])cc1OC 489391890 SNWMVDOEEYOULH-UHFFFAOYSA-N 427.360 4.493 5 20 IIBD C[C@@H](O)C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)c1ccccc1 490586823 QELVQZQSIKRLSP-WIYYLYMNSA-N 433.508 4.491 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 492602259 OVZIFRFCQCFHNP-GFCCVEGCSA-N 436.394 4.258 5 20 IIBD Cc1ccccc1-c1nc(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)no1 493202190 OUUSMULXDVSNPJ-UHFFFAOYSA-N 443.463 4.495 5 20 IIBD CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H](c1cccnc1)c1ccc(F)cc1F 496533768 IOVPKMCIWCEHGB-QFIPXVFZSA-N 427.407 4.285 5 20 IIBD Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 497513736 SDAZTZZSDHZETA-AVYPCKFXSA-N 425.533 4.394 5 20 IIBD C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 499268774 SWOYVIUREWMAMC-CYBMUJFWSA-N 425.466 4.198 5 20 IIBD CCC(=O)Nc1ccc(Cl)c(NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)c1 500928861 QEBNILVBHGAWFZ-UHFFFAOYSA-N 437.905 4.477 5 20 IIBD Cc1ccc(-n2c(SCc3ccc(Cl)cc3[N+](=O)[O-])nnc2N2CCOCC2)cc1 501153229 TVBRSHHZMPRKDJ-UHFFFAOYSA-N 445.932 4.266 5 20 IIBD CN(c1ccccc1)c1ccc(CNc2cccc(CN3CCOCC3)n2)cc1[N+](=O)[O-] 503264424 JJIVHIYMEHMUTC-UHFFFAOYSA-N 433.512 4.202 5 20 IIBD COCCSc1ccc([C@H](C)NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1 504703814 QHHINXKZYKAKRL-HNNXBMFYSA-N 426.498 4.010 5 20 IIBD COc1cc(CN2CCC[C@H](CN3CCCC[C@H]3C)C2)c([N+](=O)[O-])cc1OC(F)F 506475448 WZNZYWXHMNGELV-CVEARBPZSA-N 427.492 4.291 5 20 IIBD CCCN(Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 506772335 PCNOXWIPTNVVMM-KRWDZBQOSA-N 438.933 4.440 5 20 IIBD O=C(NCC1(c2ccc(Cl)cc2Cl)CCOCC1)c1cc(O)ccc1[N+](=O)[O-] 506789389 HFVXAYBYCASNDT-UHFFFAOYSA-N 425.268 4.085 5 20 IIBD C[C@H](Oc1ccccc1F)c1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1C 508154383 IPNHGGZEGJLWIB-HNNXBMFYSA-N 441.463 4.050 5 20 IIBD COc1cc(OCC(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)ccc1[N+](=O)[O-] 511388721 VTEUBNRCXYWQCU-UHFFFAOYSA-N 433.530 4.142 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3ccc(Cn4ccnc4)cc3)cc2[N+](=O)[O-])C1 513784740 XVLMBEIPCHDJTH-RTBURBONSA-N 447.539 4.252 5 20 IIBD CCCOc1ccccc1[C@@H](CC(C)C)NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 513829445 CFAVBOZHUFDJLP-GOSISDBHSA-N 448.541 4.304 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 515096694 UGUYGJIVJXXTNG-AWEZNQCLSA-N 441.390 4.341 5 20 IIBD C[C@H](C(=O)Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1)c1cccc([N+](=O)[O-])c1 515728741 TXKCHSKBYHONAW-KRWDZBQOSA-N 442.479 4.233 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])cn1)Nc1sc2c(c1-c1nc3ccccc3s1)CCC2 517671823 FBJHQOBLSWVLLQ-UHFFFAOYSA-N 425.495 4.257 5 20 IIBD COc1ccc(-c2nc(Cc3noc(-c4ccn(-c5cccc([N+](=O)[O-])c5)n4)n3)co2)cc1 518329249 SMCKIKNITQRUSP-UHFFFAOYSA-N 444.407 4.085 5 20 IIBD COc1ccc(COCc2cccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3C)c2)cc1 520018045 YVKQUDQPIDGCHU-UHFFFAOYSA-N 442.493 4.429 5 20 IIBD CC(C)NC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 520410211 VOSFOSSFUMGVQF-LLVKDONJSA-N 440.283 4.446 5 20 IIBD Cc1nn(CCC(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)c(C)c1[N+](=O)[O-] 522646474 RWFXDJFLIIHEEA-PMERELPUSA-N 432.546 4.018 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCCNc1ncc(C(F)(F)F)cc1Cl 522741174 BZKSRWQKQDBESW-UHFFFAOYSA-N 437.205 4.086 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)cc1[N+](=O)[O-] 523268258 PPLAUEMYQUTKGO-UHFFFAOYSA-N 435.484 4.357 5 20 IIBD Cn1nnnc1Sc1ccc(Cl)cc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 523852565 PHCBQAQSBLTCHG-UHFFFAOYSA-N 446.901 4.390 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](CC(=O)N(C)C)c2cc(Cl)ccc21 525024185 PLHXRRVPTCRORU-ZIAGYGMSSA-N 447.944 4.338 5 20 IIBD CCOc1cc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1O[C@H](C)C(=O)N(C)C 531206457 FHWFRMNZFKFSMG-IAGOWNOFSA-N 429.517 4.008 5 20 IIBD COc1ccccc1COC1CCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 535815420 IWFWTYGHGKKJFG-INIZCTEOSA-N 430.526 4.292 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 538244948 XLTQBTWWYXYUNK-CJFMBICVSA-N 432.907 4.455 5 20 IIBD COc1ccc(Cl)cc1N1CC[C@@H](NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 538499509 WDYWWLIHVVVIHE-GOSISDBHSA-N 441.919 4.026 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 538510152 PUBNAWXIHKNYSU-HSZRJFAPSA-N 443.503 4.219 5 20 IIBD O=C1[C@@H](NC/C=C\c2ccccc2[N+](=O)[O-])CCCN1Cc1cccc(C(F)(F)F)c1 538569828 GUMMFBUDEDUXMM-KYLNKMBASA-N 433.430 4.408 5 20 IIBD O=C(Nc1nc(/C=C/c2ccccc2)cs1)c1cccc([N+](=O)[O-])c1N1CCOCC1 540641392 DCQMYJLYXAQFLR-MDZDMXLPSA-N 436.493 4.311 5 20 IIBD COc1ccc(OCCN2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c([N+](=O)[O-])c1 541088225 HEODLHSLWHUSTE-LJQANCHMSA-N 426.391 4.075 5 20 IIBD C[C@@H](C(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)c1ccc([N+](=O)[O-])cc1F 541583989 VRYPVMFGXOJCBM-LLVKDONJSA-N 440.456 4.484 5 20 IIBD CCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)cn1 543934523 QFNDCULQYAHTTB-UHFFFAOYSA-N 437.408 4.220 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3nc(-c4ccc(Cn5cncn5)c(F)c4)no3)cs2)cc1 544618641 DSUUGTJRXXDGIB-UHFFFAOYSA-N 449.427 4.214 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N(c2cccc(SC)c2)C2CCN(C)CC2)c1 554964470 DJJHYJAMWSSGPO-UHFFFAOYSA-N 429.542 4.456 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1c2cc(Br)ccc2CC1(C)C 556537289 AVYCKPCCNOGTON-QGZVFWFLSA-N 446.301 4.044 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 558029396 OKZCMBISMVXUOO-WMLDXEAASA-N 436.281 4.236 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC1(Cc2ccc(Cl)cc2)CCC1 561064245 VNDJNZDOLPWJES-UHFFFAOYSA-N 443.887 4.218 5 20 IIBD CC[C@@H](NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C 563760588 CVNGUGMYSJSDDW-GDBMZVCRSA-N 428.489 4.013 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1ccc(Br)cc1)C(C)C 568039348 BSZJRVRYPINHGO-UHFFFAOYSA-N 448.317 4.295 5 20 IIBD CCOC(=O)c1ccc(F)c(C)c1NC(=O)c1sc(Br)cc1[N+](=O)[O-] 569991954 QYYUJHQYUYPQKR-UHFFFAOYSA-N 431.239 4.295 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@H](CO)c2ccc(F)cc2)cc1 570537553 KCVMXNPAXQBYSY-HSZRJFAPSA-N 432.455 4.410 5 20 IIBD C[C@H](SCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(=O)NCCC1=CCCCC1 572318622 QNHMRVAGSSKOFC-HNNXBMFYSA-N 433.530 4.021 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 576851593 CEZBJYKRWCHENJ-MRVPVSSYSA-N 436.337 4.314 5 20 IIBD O=[N+]([O-])c1ccc2nc(NCc3nc4c(s3)C[C@@H](c3ccccc3)CC4)nc(O)c2c1 578733242 JUOKMACSBWJALA-AWEZNQCLSA-N 433.493 4.585 5 20 IIBD COc1cc(C(=O)Nc2ccc(N(C(C)=O)[C@H]3C[C@H]3C)cc2)c([N+](=O)[O-])cc1OC(F)F 579162474 RBDUAHFXRKCKLS-BZNIZROVSA-N 449.410 4.218 5 20 IIBD C[C@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(OCc2cccnc2)cc1 582160992 GVSSZFHMNMROSL-KRWDZBQOSA-N 432.480 4.398 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CC(COc3ccccc3)C2)cc1[N+](=O)[O-])c1ccccn1 588804031 FTXKOGNGWZFDDP-QGZVFWFLSA-N 432.480 4.314 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F 588940133 HJLXJOOPNFDFAY-INIZCTEOSA-N 431.798 4.248 5 20 IIBD CCN1CCN(c2ccc(Cl)cc2NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC1 603648149 HPJKTONRRLKSAF-UHFFFAOYSA-N 431.924 4.054 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](c2nc3ccccc3[nH]2)[C@@H](C)CC)cc1OC 603964162 DQIGUCFFXTYRDC-RBZFPXEDSA-N 426.473 4.396 5 20 IIBD Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 603976981 OGGIIFLDZZZWGB-OKILXGFUSA-N 439.468 4.002 5 20 IIBD C[C@@H](CC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccc(F)cc1 604114351 ZOJCNYOCXUKNNB-LBPRGKRZSA-N 449.485 4.156 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1-c1ccc(Cl)cc1 608855715 XIOVJBHRBOKIEH-OAHLLOKOSA-N 437.883 4.350 5 20 IIBD COc1ccc(C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)c2ccccc2)cc1OC 608949098 SXLAJFLIZDLLPG-IBGZPJMESA-N 436.464 4.334 5 20 IIBD COc1ccc(C2(NC(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)CCOCC2)cc1 609322836 QCPKNYSRUFOFEW-UHFFFAOYSA-N 437.399 4.032 5 20 IIBD O=C(Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1)[C@H]1COc2ccccc2C1 609817107 NFEQNQKCWHLWJH-MRXNPFEDSA-N 430.420 4.230 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 610100991 LVFNMUCPVKCJTQ-QGZVFWFLSA-N 432.471 4.021 5 20 IIBD Cc1ccc(NCCCNC(=O)N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 610643295 ZWASCWIETCWUAU-RYUDHWBXSA-N 442.360 4.087 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCc2sc(Br)cc2C1 610935075 KGMOOFMTURXVDK-UHFFFAOYSA-N 445.722 4.426 5 20 IIBD Cc1ccc(NC(=O)N2CCOC[C@@H]2c2c(C)nn(-c3ccccc3)c2C)cc1[N+](=O)[O-] 611530208 UWGYERXCQVYKGQ-OAQYLSRUSA-N 435.484 4.311 5 20 IIBD Cc1ccncc1[C@H](C)Nc1ccc([N+](=O)[O-])c(NC(=O)CN[C@H](C)c2cnccc2C)c1 611938885 BILYLJAHTCIFTQ-MSOLQXFVSA-N 448.527 4.464 5 20 IIBD O=C(N[C@H]1CCOC2(CCOCC2)C1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 612482123 SZFCCQUAHVSOAK-KRWDZBQOSA-N 434.558 4.335 5 20 IIBD O=C(c1cnc2ncc(Br)cc2c1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 614841445 BVLAECZYMMOTHN-SFHVURJKSA-N 445.298 4.188 5 20 IIBD O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)[C@H](OC1CCCC1)c1ccccc1 727052121 LJUSBNBEONJKAZ-HSZRJFAPSA-N 439.512 4.450 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)NC(=O)[C@@H]2C[C@H]2c2cccc3ccccc23)cc1[N+](=O)[O-] 730919509 NSZAQGCSPABMHX-ZWKOTPCHSA-N 444.896 4.318 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCc1ccc(OC(F)(F)F)cc1 731921553 FDMIREIAFISJOZ-UHFFFAOYSA-N 426.319 4.102 5 20 IIBD C[C@H](CSc1ccccc1)C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 732504792 DLJKRRGLGZSFPJ-SJORKVTESA-N 428.510 4.171 5 20 IIBD C[C@H](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)C(=O)c1ccccc1 732760602 FFXDGFPWJJFSRI-OAHLLOKOSA-N 449.429 4.171 5 20 IIBD Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1Br 740423224 QJMIRWWAXCJSOI-CHWSQXEVSA-N 435.274 4.088 5 20 IIBD O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)c1csc(-c2cccc([N+](=O)[O-])c2)n1 740941290 CQMXOYHCDITDFK-OAHLLOKOSA-N 438.292 4.489 5 20 IIBD Cc1ccc([C@H](NC(=O)COC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c2cccs2)cc1 745892774 MHOFUAHTIDNMAV-IYGUDBDMSA-N 436.489 4.427 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(OCc2ccccn2)c(F)c1 747620411 BGMQCQNNNPPNBK-UHFFFAOYSA-N 437.836 4.162 5 20 IIBD Cc1c(C(=O)N[C@H](C)Cc2ccc(Br)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748622319 XXLSITPUKQTWNY-SNVBAGLBSA-N 436.262 4.243 5 20 IIBD C[C@H](OC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1cnccn1 751172003 VDIMGOGPULGZJR-INIZCTEOSA-N 429.436 4.084 5 20 IIBD O=C(Nc1ccc(OC(=O)c2occc2Br)cc1)c1cccc([N+](=O)[O-])c1 751213103 QMOWIOLVVRLTEF-UHFFFAOYSA-N 431.198 4.422 5 20 IIBD Cc1cc(F)cc(C(=O)O[C@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)c1[N+](=O)[O-] 752558272 NXQJUVJOVPVGRX-LLVKDONJSA-N 426.803 4.039 5 20 IIBD O=C(N[C@H]1CCCN(c2ccccc2Cl)C1)c1cccc([N+](=O)[O-])c1Br 753822788 ARFGHTMJMPIYLL-LBPRGKRZSA-N 438.709 4.410 5 20 IIBD COc1ccccc1[C@H](Nc1ncc([N+](=O)[O-])c(C)c1Br)c1nccn1C 754007956 CLOOBNBLNRZYDN-INIZCTEOSA-N 432.278 4.004 5 20 IIBD C[C@H](N[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 754311057 DORWCUZLCZUYPG-YQQAZPJKSA-N 445.520 4.331 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 755023220 BQALVKYNMIUYHG-UHFFFAOYSA-N 435.234 4.462 5 20 IIBD C[C@@H](N[C@H](C)c1nc(-c2cccc(F)c2)no1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 755040192 QHYGLTLFEKAAPR-GHMZBOCLSA-N 433.827 4.115 5 20 IIBD COC(=O)c1cc(S(=O)(=O)Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])cc(F)c1F 756161073 VWTUGGQUMXYFAV-UHFFFAOYSA-N 449.387 4.094 5 20 IIBD Cc1cc(CN[C@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)O)cc(C)c1OC(F)F 756382041 YEJXJDGPPFKFKI-GOSISDBHSA-N 433.411 4.080 5 20 IIBD CC[C@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1NC(=O)OC(C)(C)C 757033613 GUKLXSFKYKDEQX-ICSRJNTNSA-N 448.564 4.252 5 20 IIBD COC(=O)CSc1ccc(OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 757701033 ICAZNHPNEAGHPA-UHFFFAOYSA-N 433.485 4.025 5 20 IIBD Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 759801052 CWQPYVVXSIHLAA-QGZVFWFLSA-N 440.953 4.076 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)C[C@H]2CSCCS2)c2ccccc2)c([N+](=O)[O-])c1 759806995 HPBBKBQLIKOJEE-JXFKEZNVSA-N 446.550 4.365 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(-c3nc(-c4ccc(-n5ccnc5)nc4)no3)cc2[N+](=O)[O-])C1 761469418 BQVRUQXQHHBNLC-HOTGVXAUSA-N 445.483 4.375 5 20 IIBD CCCc1ccc(N2C[C@@H](c3nc(Cc4ccc([N+](=O)[O-])c(OC)c4)no3)CC2=O)cc1 762308315 JBBLFQNAVHTVTB-KRWDZBQOSA-N 436.468 4.050 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](c3nc(C4CCCCCCC4)no3)C2)cc1 762359487 XKQWOGAXVSNXFA-KRWDZBQOSA-N 448.545 4.374 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1cccc(CC[C@@H](O)c2ccccc2)c1 762988905 ANENGOFPUYHGPJ-HSZRJFAPSA-N 430.464 4.249 5 20 IIBD C[C@@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1cccc2ncccc12 762995560 AYJHKHJRPPKWKS-CYBMUJFWSA-N 425.416 4.130 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 763985738 SRGWMYWYYXYNJI-HNNXBMFYSA-N 437.562 4.426 5 20 IIBD C[C@H](c1ccsc1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 765322190 NKGIVDPTVJUWRK-QGZVFWFLSA-N 428.558 4.166 5 20 IIBD COc1ccc(Cn2cc(Br)cc([N+](=O)[O-])c2=O)cc1SC(F)(F)F 767210108 UVRYDHPEXDOPTD-UHFFFAOYSA-N 439.209 4.188 5 20 IIBD CC(C)Oc1ccc2ccccc2c1CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 768298976 RGAIPDATOMITBU-UHFFFAOYSA-N 441.871 4.444 5 20 IIBD C[C@@H](OC(=O)c1cc(Br)ncc1[N+](=O)[O-])C(=O)Nc1cccc2ccccc12 769841386 YHXJHKXCKIFGJK-LLVKDONJSA-N 444.241 4.090 5 20 IIBD CCN(CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1)CC1CC1 771412899 GJURKQSNTIYXDY-UHFFFAOYSA-N 428.577 4.169 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H](C)[C@@H](O)c2cccc(F)c2)cc1 771739773 SSFKRLIHLYSXNF-JLCFBVMHSA-N 440.427 4.387 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc(COC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c1 773133106 ZJSSQLJHMXTSBK-UHFFFAOYSA-N 426.429 4.035 5 20 IIBD CCCCNC(=S)/C(=C(/O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1c(C)ccc(O)c1Cl 777513314 SQYGRPUUDRUIFI-UHFFFAOYSA-O 436.941 4.459 5 20 IIBD Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)OCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 778146935 HMBORLRVQYFYSF-UHFFFAOYSA-N 447.419 4.125 5 20 IIBD COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 781266987 DQNLKGRTJZDRAS-UHFFFAOYSA-N 436.851 4.139 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N[C@H](COc1ccccc1)c1ccccc1 781631564 AMOBFVCXPVSDSH-OAQYLSRUSA-N 435.436 4.372 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN[C@@H](C)c2ccc3c(c2)CC(=O)N3C)cc1OC 782054072 WNHPHKIKLQBUEG-CVEARBPZSA-N 441.528 4.398 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccc(NC(=O)C2CC2)cc1 782120793 CWXYEPBUAZQYCK-LLVKDONJSA-N 432.274 4.197 5 20 IIBD Cc1nc(-c2ccccc2)sc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 784173892 IEGSDLFJKLOTCR-AWEZNQCLSA-N 440.456 4.157 5 20 IIBD CC(C)(O)CN1CCc2c(cccc2NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 784740312 ZRAHAUMSISCYND-UHFFFAOYSA-N 425.510 4.191 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)O[C@H](C)c2cccnc2)cc1 785514267 DHXAZYDVPNEBGC-OAHLLOKOSA-N 441.465 4.017 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 786308721 KGGAWCLVMAHZDE-UHFFFAOYSA-N 431.202 4.374 5 20 IIBD Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1 786842567 JDKYZLAHHRBDIZ-UHFFFAOYSA-N 436.855 4.172 5 20 IIBD O=[N+]([O-])c1cccc([C@@H](O)COc2ccc(Oc3ncc(Br)cn3)cc2)c1 788830438 XVDNBWOWIHMISW-KRWDZBQOSA-N 432.230 4.052 5 20 IIBD CC(C)[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H](O)c1ccccc1 789253972 VTDVHWXSWXIRNZ-QZTJIDSGSA-N 425.407 4.171 5 20 IIBD CCOC(=O)N[C@@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 799559492 CVLRSNBMBUONQP-OAHLLOKOSA-N 429.498 4.097 5 20 IIBD CC(C)(C)OC(=O)NCC[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 799738498 BUULHGLLZJYIJP-CQSZACIVSA-N 429.464 4.323 5 20 IIBD CCCN([C@@H](C)CC(=O)Nc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] 800171960 AMBLTJHHJJYVAJ-AWEZNQCLSA-N 439.921 4.066 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl 800606498 VXFYFCLKGSPBEY-ZDUSSCGKSA-N 426.231 4.091 5 20 IIBD Cc1ccnc2ccc(C(=O)N3CCc4c(Br)ccc([N+](=O)[O-])c4C3)cc12 803248554 WEZAQSXBIJKNDQ-UHFFFAOYSA-N 426.270 4.412 5 20 IIBD CC(C)(C)OC(=O)N1CCC(c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3)n2)CC1 807885131 CEKSFJNPKQVJQB-UHFFFAOYSA-N 432.502 4.418 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2-c2nc([C@H]3CC(=O)N(c4ccccc4)C3)no2)CC1 809413293 IFGOLGBKQJQGFG-KRWDZBQOSA-N 447.495 4.402 5 20 IIBD CC[C@@H](NCc1cc(I)cc([N+](=O)[O-])c1)c1ccccc1OC 809970656 HVVDMDZQLXNZPP-MRXNPFEDSA-N 426.254 4.449 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 811552134 VPDBUZWFZXJJAT-SHTZXODSSA-N 430.505 4.137 5 20 IIBD COc1ccc([C@H](O)C2CCN([C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CC2)cc1 812858829 CUZGRSGCCLNWFE-SZNDQCEHSA-N 447.919 4.029 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2ccc3nc(Cl)sc3c2)cc1[N+](=O)[O-] 813373222 YXDLOWJESJGXFR-UHFFFAOYSA-N 446.901 4.390 5 20 IIBD O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C/c1ccc(OC[C@H]2CCCO2)cc1 834689850 SZYFAJRWLHMYBN-VHWUNXFSSA-N 428.828 4.151 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 912618543 FHTMOCSGJGIAQJ-WDZFZDKYSA-N 449.916 4.075 5 20 IIBD COc1ccc(CSCC(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] 914917860 SJYMJPOFLKBVDB-GFCCVEGCSA-N 438.889 4.060 5 20 IIBD O=C(COCC(F)(F)F)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 915550166 NLPKQBSVVSDUAV-MRXNPFEDSA-N 446.765 4.050 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 915665416 PARBGYVDDZDYEC-UHFFFAOYSA-N 432.738 4.106 5 20 IIBD C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 916786027 LHVQOKMRKUXJTK-JTQLQIEISA-N 449.337 4.028 5 20 IIBD O=C(OCc1nc(-c2cc(Br)cs2)no1)c1cc2cc([N+](=O)[O-])ccc2[nH]1 917973729 YYTOAFCYUGIEDS-UHFFFAOYSA-N 449.242 4.307 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 918607915 STKVAGNXDZFPRR-UHFFFAOYSA-N 428.876 4.475 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)OCc2csc3ccccc23)cc1[N+](=O)[O-] 920823906 BVOGCQOGTPVVKC-UHFFFAOYSA-N 426.479 4.446 5 20 IIBD Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 920882827 YZWCUTBYXOBTOB-UHFFFAOYSA-N 426.429 4.045 5 20 IIBD O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1nc(-c2ccccc2)oc1C1CC1 1116018325 GZMXZWHCEJWQOA-GOSISDBHSA-N 433.420 4.090 5 20 IIBD Cc1c(CC(=O)N2CCCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cccc1[N+](=O)[O-] 1320539434 YZEYVRQKUOTLPO-UHFFFAOYSA-N 431.533 4.085 5 20 IIBD Cn1nc(-c2ccco2)cc1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1321030705 MENUHOVXPJWRGW-UHFFFAOYSA-N 426.376 4.338 5 20 IIBD Cn1nc(-c2ccco2)cc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 1324760696 SNEXEKWOWWSRIA-UHFFFAOYSA-N 425.626 4.257 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3F)CCC2)cc1)c1cncs1 1787534507 WIKAMKHWKPZLAN-UHFFFAOYSA-N 440.456 4.252 5 20 IIBD C/C=C(/C)C(=O)Nc1ccc(C2(NC(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])CCC2)cc1 1791225948 YRVSUFWSSTZOQO-CPSFFCFKSA-N 439.468 4.023 5 20 IIBD Cc1cc(Cl)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C3)c1 1803640477 RWOXEYSMZIRBBB-REPLKXPHSA-N 445.878 4.261 5 20 IIBD O=C(c1c(F)cccc1F)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823613719 KFOORDXNPVOFLJ-QGZVFWFLSA-N 447.438 4.013 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cc(F)ccc2[N+](=O)[O-])CC1 1824349302 XOFFAWNJPSUHFJ-UWJYYQICSA-N 447.551 4.332 5 20 IIBD CC(C)(C)CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830616199 KLOINXXCVWBQNN-LJQANCHMSA-N 433.524 4.403 5 20 IIBD Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C(C)C)CC2)cc1[N+](=O)[O-] 1832511740 DNJYRTVCWMWKJI-FNNXTJRKSA-N 441.572 4.278 5 20 IIBD O=C(c1cccc(F)c1[N+](=O)[O-])N1CC2(CCCN2C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)C1 1843938917 LDJNYWRTKHQACO-FGTMMUONSA-N 443.519 4.157 5 20 IIBD Cc1c(C(=O)N2CC3(CCCN3C(=O)c3ccc(Cl)cc3)C2)cc(Cl)cc1[N+](=O)[O-] 1844935239 XSJZBIGQURDESJ-UHFFFAOYSA-N 448.306 4.341 5 20 IIBD Cc1cc(C)c(NC(=O)CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c(C)c1 17960670 BFFANPIVPSNPHE-UHFFFAOYSA-N 438.528 4.125 5 20 IIBD CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 18092657 INVXWZRNSHJYFH-UHFFFAOYSA-N 439.921 4.148 5 20 IIBD C[C@@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)Cc1nc2ccccc2s1 22548230 OUOXFXBEMUBZCF-LLVKDONJSA-N 433.873 4.062 5 20 IIBD COc1ccc(NC(=O)CNc2cc(Cl)ccc2OCC(F)(F)F)c([N+](=O)[O-])c1 26227118 NAJQHJFFCBKNIE-UHFFFAOYSA-N 433.770 4.249 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1F 26936355 DRSCWJXBCUECGO-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc(Br)ccc1Cl 28614387 JGIAVWJEOGYLTA-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 29056222 GKLOPRWBSGNPCC-AWEZNQCLSA-N 425.514 4.147 5 20 IIBD CN(C)CCn1c(=O)oc2ccc(NC(=O)c3cc4ccccc4c4cccnc34)cc21 58739523 NAHBFBFYVPHDLZ-UHFFFAOYSA-N 426.476 4.110 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(C(=O)c2ccc(Cl)cc2)CC1 60482662 ZBOGIQDIAQPDBX-UHFFFAOYSA-N 429.904 4.480 5 20 IIBD C[C@@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(OCc2cccnc2)cc1 62047500 SHJZKFLNQMVIPB-QGZVFWFLSA-N 435.484 4.041 5 20 IIBD Cc1cc(N2CCC(NC(=O)Nc3ccccc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 301129412 WWQDHCIFIHGMID-UHFFFAOYSA-N 432.484 4.151 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 303002345 KYWNNDZNFSEHBT-RCZVLFRGSA-N 443.503 4.391 5 20 IIBD Cc1cc(=O)c(C(=O)N[C@@H](C)c2cc3ccccc3s2)nn1-c1ccccc1[N+](=O)[O-] 410308001 NFNNROCGLPOCLR-AWEZNQCLSA-N 434.477 4.155 5 20 IIBD C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1nc(Cc2ccccc2)no1 426030833 VRLSVTXYEQKXLH-GFCCVEGCSA-N 449.389 4.148 5 20 IIBD COC(=O)c1cc(NC(=O)c2cnn(CC(C)C)c2-c2ccccc2)c(C)c([N+](=O)[O-])c1 429026781 HXRSOKVEVPUXNU-UHFFFAOYSA-N 436.468 4.462 5 20 IIBD CCC(CC)N(CC(C)C)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C 430348037 ZCCVKMHXEXTODZ-UHFFFAOYSA-N 428.327 4.277 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)n1 432155417 KRUSPEDPVZAMRZ-INIZCTEOSA-N 439.390 4.152 5 20 IIBD C[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1nc(-c2cccc(F)c2)no1 437986347 NWEUAHRZBPJYJK-ZDUSSCGKSA-N 425.420 4.219 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)Nc2cscc2C)cc1 439176906 JMNKVZYAJYSVIT-UHFFFAOYSA-N 447.494 4.026 5 20 IIBD COc1cc(N[C@H]2CCCN(C(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)C2)cc(OC)c1 439335728 BIQMZBDBVDBBRE-KRWDZBQOSA-N 427.501 4.452 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(CCCc2ccccc2)c1 439353763 ZMIOXPZLEGRWNA-UHFFFAOYSA-N 433.464 4.356 5 20 IIBD O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] 440739671 KCBHNMRDHFUTKD-LJQANCHMSA-N 447.516 4.277 5 20 IIBD CC[C@H](c1ccc(F)cc1F)N1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 444214545 RQDPCUSCJYMHDF-HXUWFJFHSA-N 443.454 4.192 5 20 IIBD CN(C)c1nc2ccc(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)cc2o1 444225043 KYMCZSVGOXHNEG-UHFFFAOYSA-N 434.402 4.419 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N[C@H]1CCOc2c(-c3ccccc3)cccc21 445029831 GUZOWCBKNWMNKR-IBGZPJMESA-N 443.463 4.461 5 20 IIBD C[C@@H](NC(=O)N1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1)c1cccc([N+](=O)[O-])c1 445696910 LIDGQXWQSZOETQ-CRAIPNDOSA-N 436.468 4.006 5 20 IIBD Cc1cc(-c2cc(C(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)c3c(C)noc3n2)c(C)o1 461395437 FVZHIIKPFISDDU-UHFFFAOYSA-N 448.435 4.351 5 20 IIBD Cc1ccc(-c2nnc(N3CCc4ccc([N+](=O)[O-])cc4C3)n2C[C@@H]2CCCCO2)s1 461803957 BCKYLACYKULYLK-IBGZPJMESA-N 439.541 4.355 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2c3ccccc3CC[C@H]2C(C)C)cc1OC 462590624 JGBXRQYJZRPKTB-SBUREZEXSA-N 442.512 4.318 5 20 IIBD COCCCCc1cccnc1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 463014693 VLJJRAYVXTURHW-UHFFFAOYSA-N 437.500 4.073 5 20 IIBD O=C(NCc1ccccn1)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 463394126 ULOSBHJHMNZNDP-UHFFFAOYSA-N 444.369 4.191 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[C@@H](CSc2ccccc2)C1 464339880 UZECCSFYKOOZCI-GOSISDBHSA-N 425.554 4.452 5 20 IIBD CO[C@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1cccc(Cl)c1 464596000 KYNBHFLNUCGVAD-MRXNPFEDSA-N 432.782 4.307 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@H](C)c3cccc(-n4cccn4)c3)cc2)c(C)c1[N+](=O)[O-] 465222512 SUSFUMTWFXTNNR-MRXNPFEDSA-N 444.495 4.133 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C 466523621 ZIGNSXYOLBPVDC-UHFFFAOYSA-N 449.389 4.213 5 20 IIBD CN(C(=O)CN1CCC[C@@H]1c1cc(F)cc(Br)c1)c1ccc([N+](=O)[O-])cc1 467185102 YQOWOZAZZWQXFE-GOSISDBHSA-N 436.281 4.296 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC=C(c2cccc3ccccc23)CC1 468635097 LSVJQKLXCLBXEH-OAQYLSRUSA-N 433.512 4.296 5 20 IIBD O=c1c2cnn(-c3ccccc3[N+](=O)[O-])c2ncn1CSCc1ccc(Cl)cc1 470438436 MXEPURRDXYUJFD-UHFFFAOYSA-N 427.873 4.035 5 20 IIBD CCCCC1CCC(c2cc(NC(=O)C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)n[nH]2)CC1 472687163 BHFJXGVJFBVYEU-UHFFFAOYSA-N 431.468 4.498 5 20 IIBD COc1ccc(-c2nnc(SCc3c([N+](=O)[O-])ncn3C)n2C2CCCCC2)cc1 476513258 HCICIOYYZFJQCK-UHFFFAOYSA-N 428.518 4.393 5 20 IIBD Cc1ccc(-c2cccnc2)cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 477522474 IGYALTBCZMUSGP-SFHVURJKSA-N 436.493 4.270 5 20 IIBD Cc1cc(F)c(C(=O)COc2ccc(I)cc2[N+](=O)[O-])cc1F 479193764 LPPUNEHLNIVBBN-UHFFFAOYSA-N 433.148 4.048 5 20 IIBD CS(=O)(=O)c1cccc(N[C@H](c2cc(F)cc(Br)c2)C2CC2)c1[N+](=O)[O-] 480506696 QSESFTRVGQBJRM-INIZCTEOSA-N 443.294 4.463 5 20 IIBD Cc1ccc(-n2c(SCc3nc4ccc([N+](=O)[O-])cc4[nH]3)nnc2N2CCCC2)cc1 484497467 SUFXYBHQGHSHAZ-UHFFFAOYSA-N 435.513 4.253 5 20 IIBD CC(C)(C(=O)O)c1ccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 484953528 CIIYIYUJYRSGIE-UHFFFAOYSA-N 433.269 4.065 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1cccc(OC(F)(F)F)c1 485378888 MLBBSRUFYWDLHI-UHFFFAOYSA-N 441.181 4.057 5 20 IIBD C[C@@H](c1ccccc1)N1CCC(NC(=O)c2sc(Br)cc2[N+](=O)[O-])CC1 485471498 VBDYASBJQSCSJR-LBPRGKRZSA-N 438.347 4.374 5 20 IIBD O=C(O)C[C@@H]1CSCCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 486010018 YMTRMHFOZMTAAA-CQSZACIVSA-N 436.873 4.073 5 20 IIBD CN1CCC[C@@H](CN(C)C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C1 486724241 NOHATPKJWRFNQV-MRXNPFEDSA-N 430.936 4.274 5 20 IIBD O=C(Nc1nnc(/C=C\c2ccco2)s1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 486873595 ZOBXBPMINHRYTI-FPLPWBNLSA-N 441.469 4.285 5 20 IIBD C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 487439914 BHRVDFFPDRMKLL-VLIAUNLRSA-N 426.860 4.036 5 20 IIBD Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 487931563 PRFOACQUIOELCU-UHFFFAOYSA-N 436.390 4.136 5 20 IIBD CCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@@H](c1cccnc1)c1ccc(F)c(F)c1 489307260 XKEPXSVBPCOESO-HXUWFJFHSA-N 441.390 4.248 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H](c2cccc(C)c2)c2ccccn2)cc1[N+](=O)[O-] 498621579 NRNGIPGLYGHMOR-QHCPKHFHSA-N 437.521 4.446 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(Br)s3)CC2)c2cccnc12 499663261 KJDBLBSXUKZHAD-UHFFFAOYSA-N 433.331 4.289 5 20 IIBD CN(CCc1ccncc1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 499948710 KKDGISNBQQEGKY-UHFFFAOYSA-N 441.491 4.086 5 20 IIBD O=C(CN1CCCCCC1)Nc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 499984991 BBCUDKZZQPDLBC-UHFFFAOYSA-N 436.468 4.408 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)cc1[N+](=O)[O-])c1ccccn1 506046115 QOQSRWVAZOCQMY-WIYYLYMNSA-N 447.539 4.066 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(Sc3nnc(NCc4ccc(F)cc4)s3)cc2N1 506799813 RCNCIRXWRYHYGT-UHFFFAOYSA-N 431.474 4.233 5 20 IIBD Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 506921347 ILIXUXHRTZULKD-IAGOWNOFSA-N 435.402 4.313 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N(C)CCCc2cc(-c3ccccc3)no2)c([N+](=O)[O-])c1 507184227 UGHFDLXIFNOXQV-INIZCTEOSA-N 438.484 4.150 5 20 IIBD Cc1cc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)ccc1C(=O)NC(C)C 510024204 SROYITLXXACOFS-UHFFFAOYSA-N 434.290 4.365 5 20 IIBD CCOC(=O)C1CCC(N(CC)C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CC1 511972434 SXIFFHXMIAXAIN-UHFFFAOYSA-N 441.322 4.250 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(F)c1N1CCOCC1 512876621 UPSZQLQHRGQHFL-GFCCVEGCSA-N 439.896 4.343 5 20 IIBD CCC(CC)(CNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 513556356 HAKOZADZVAVPME-UHFFFAOYSA-N 438.933 4.140 5 20 IIBD CCc1ccc(O)c(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)c1 513622623 VVDWCABDDNTTJL-UHFFFAOYSA-N 426.210 4.028 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccnn1Cc1cccc(Br)c1 514468649 BYPHHUJMSLEPOE-UHFFFAOYSA-N 447.314 4.333 5 20 IIBD CCOC(=O)c1cnn(-c2cccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c2)c1C 515172300 YQHZXGJMLNLGHA-UHFFFAOYSA-N 434.408 4.264 5 20 IIBD Cc1cccnc1[C@@H](NCc1cc(I)cc([N+](=O)[O-])c1)C(C)C 515714550 VZLQPNAFQLZOLV-INIZCTEOSA-N 425.270 4.390 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1C[C@H]2CCCN2c2ccccc21 516129390 FQJOFUCIOWUONT-OAHLLOKOSA-N 434.418 4.431 5 20 IIBD COCCN(C(=O)c1cc(OC)ccc1[N+](=O)[O-])[C@@H](C)c1cccc(C(F)(F)F)c1 517874998 VWFKWHDEGGYPCJ-ZDUSSCGKSA-N 426.391 4.472 5 20 IIBD COc1ccc(S(=O)(=O)Nc2c(C)c(C(C)(C)C)nn2-c2ccccc2)c([N+](=O)[O-])c1 521671779 MBYOAYMTBLJDKE-UHFFFAOYSA-N 444.513 4.196 5 20 IIBD C[C@@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1ccc(NC(=O)Nc2ccccc2)cc1 523283881 HTWWIOPWGMJTJP-OAHLLOKOSA-N 436.472 4.048 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc(C4CCCC4)no3)cc2)cc1[N+](=O)[O-] 524632071 PNWIRXDRBPMZGB-UHFFFAOYSA-N 428.470 4.412 5 20 IIBD CC(C)[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccc2c(c1)OCCO2 531503911 OSDBFULOBXGALA-FQEVSTJZSA-N 449.301 4.185 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 533899489 NVLHASCTRMORCS-UHFFFAOYSA-N 446.438 4.326 5 20 IIBD COc1ccc([C@@H](OC)[C@@H](C)NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 536774668 ATGQOLUQWUZWFH-QUGAMOGWSA-N 430.504 4.056 5 20 IIBD CN(c1ccccc1)c1ccc(CNc2cccnc2N2CCC(O)CC2)cc1[N+](=O)[O-] 538001508 BLDMCVOOQMBTQL-UHFFFAOYSA-N 433.512 4.331 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1OC 541025850 CZNUZEVWICFRPJ-WBVHZDCISA-N 443.548 4.403 5 20 IIBD O=[N+]([O-])c1ccc(NS(=O)(=O)c2cc(F)ccc2Br)cc1C(F)(F)F 543859418 CYZNCOHGFORSHT-UHFFFAOYSA-N 443.172 4.316 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 543915803 PXLKKBMHIGRRHG-LLVKDONJSA-N 447.211 4.050 5 20 IIBD CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 544490464 KZYMSRKWOLBBDK-MAUKXSAKSA-N 437.265 4.489 5 20 IIBD CC(C)n1c([C@H]2CCCN2S(=O)(=O)Cc2ccccc2[N+](=O)[O-])nc2ccccc21 544706769 SGBCXMJGPFPHEY-HXUWFJFHSA-N 428.514 4.192 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N[C@H](c2ccc(Cl)cc2)c2ccn(C)n2)cc1[N+](=O)[O-] 545160647 WVADUZJFAOPKBN-VBKZILBWSA-N 427.892 4.440 5 20 IIBD Cc1ccc(CNC(=O)c2cccc(-c3noc(CNc4ccccc4[N+](=O)[O-])n3)c2)cc1 545560980 BZNPMWAAICGGJT-UHFFFAOYSA-N 443.463 4.495 5 20 IIBD Cc1c(-c2nc(Cc3cc(Br)c4c(c3)OCCCO4)no2)cccc1[N+](=O)[O-] 545655883 FIWFOFHETGLUHB-UHFFFAOYSA-N 446.257 4.468 5 20 IIBD COC(=O)c1cc(-c2nc([C@H](C)c3ccc(Br)cc3)no2)cc([N+](=O)[O-])c1 545837330 AHLYUOBSZWEJDK-SNVBAGLBSA-N 432.230 4.346 5 20 IIBD Cc1c(-c2nc(Cc3ccccc3[N+](=O)[O-])no2)cnn1-c1cccc(Br)c1 546241535 ASNFNOFFPLXSKP-UHFFFAOYSA-N 440.257 4.492 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CCC[S@](=O)c3ccc(Br)cc3)n2)c1 546939626 YCUBYXKBXFNHFE-SANMLTNESA-N 436.287 4.148 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc(OCC(F)F)nc2)no1 547258919 SOPSBAZOFFQQCP-VIFPVBQESA-N 426.763 4.477 5 20 IIBD CNc1ccc(C(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)cc1[N+](=O)[O-] 548725176 XSOZRNQVHSGYMI-MRXNPFEDSA-N 433.306 4.116 5 20 IIBD CCC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 552506309 CYKOOLQXSDJJGM-CYBMUJFWSA-N 439.921 4.109 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(C)cc(I)c1 553232778 BZADDEMXTHXWMH-UHFFFAOYSA-N 426.210 4.159 5 20 IIBD COc1ccccc1O[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C1 557146497 RRHVMJHVUIBJLW-OAHLLOKOSA-N 449.301 4.358 5 20 IIBD O=C(N[C@@H](c1cncc(Br)c1)C1CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 557169352 GIHPTGHMRTXPRJ-GOSISDBHSA-N 431.290 4.208 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(-c2ccc(OCC(F)F)nc2)no1 561908873 LQTFCPUNGSKSBS-UHFFFAOYSA-N 441.188 4.422 5 20 IIBD C[C@@H](CCC1CCCCC1)NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 563947435 WYDDXQNTGGYCTB-LBPRGKRZSA-N 426.311 4.161 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1ncnc2scc(-c3ccccc3)c12 564139255 RAPOCDWHHPLTQM-UHFFFAOYSA-N 426.479 4.208 5 20 IIBD COc1ccc(NC(=O)CCN[C@H](C)c2ccc(Br)cc2F)c([N+](=O)[O-])c1 566938322 SVEWPZKHDOWJGX-LLVKDONJSA-N 440.269 4.184 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 574088370 XKQWRHZGBIHNFC-WOJBJXKFSA-N 432.908 4.004 5 20 IIBD Cc1ccn2cc(-c3ccc(NC(=O)c4ccc(-n5cncn5)c([N+](=O)[O-])c4)cc3)nc2c1 589275076 FKHAKBXTTLRWCV-UHFFFAOYSA-N 439.435 4.051 5 20 IIBD Cc1cc(NC(=O)COc2ccc(Oc3ccccn3)cc2)n(-c2ccc([N+](=O)[O-])cc2)n1 603487007 UFQMDOBZONKDGE-UHFFFAOYSA-N 445.435 4.294 5 20 IIBD O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc([N+](=O)[O-])cc1F 603936915 CNZKQHAKGGZMSH-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD COc1ccc(CC(=O)NCc2ccc(OC(C)C)cc2C(F)(F)F)cc1[N+](=O)[O-] 609011553 INDKSEIBMNQJBY-UHFFFAOYSA-N 426.391 4.268 5 20 IIBD CC(C)NC(=O)c1ccc(N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)c([N+](=O)[O-])c1 609670643 COTMPXRMPZRRIJ-MRXNPFEDSA-N 436.434 4.443 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCc1cccc(NC(=O)C2CCC2)c1 609722915 DOWLBFQVZRYZGS-UHFFFAOYSA-N 431.876 4.072 5 20 IIBD COc1cc(C(=O)Nc2ccn([C@@H](C)c3ccccc3)n2)c([N+](=O)[O-])cc1OC(F)F 610746330 ZHKVBOXQVZWGMU-LBPRGKRZSA-N 432.383 4.263 5 20 IIBD COc1cc(CCNC(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])cc1OC 616169559 MRUHVPFYLPTBGV-UHFFFAOYSA-N 441.406 4.015 5 20 IIBD O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 618754460 YBQUDTUKDFYICL-UHFFFAOYSA-N 433.337 4.314 5 20 IIBD Cc1ccccc1CN(Cc1cccnc1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] 725826729 BRMPBDNTADNPNC-UHFFFAOYSA-N 431.901 4.343 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1SC(F)F)c1cccc([N+](=O)[O-])c1 726290799 WYIVGKZFHSRGQV-VIFPVBQESA-N 429.832 4.379 5 20 IIBD CCOc1ccc(Oc2cc(CNC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])ccn2)cc1 727708572 WJGDZFLOYGGTQD-UHFFFAOYSA-N 429.379 4.389 5 20 IIBD COc1ccc(CC(=O)OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1[N+](=O)[O-] 727882078 DLGJIXABEBXRDD-UHFFFAOYSA-N 446.765 4.000 5 20 IIBD CCCC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccc(OC)cc1 728496051 LQDXDTVRKRYZMO-UZLBHIALSA-N 443.475 4.143 5 20 IIBD O=C(CCC(=O)c1ccc2ccccc2c1)O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 731505920 WBFWFPBHWLUAEO-JOCHJYFZSA-N 432.432 4.060 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCC(c2c[nH]c3cc(F)ccc23)CC1 732049660 YFLKLUOFQJEQFY-UHFFFAOYSA-N 442.403 4.294 5 20 IIBD COc1ccc(C(=O)COC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1Cl 735147469 JWBMKHCUSNKYKO-UHFFFAOYSA-N 428.224 4.105 5 20 IIBD CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 743121952 NKEZJJDRHXBAGR-HZPDHXFCSA-N 436.468 4.478 5 20 IIBD O=[N+]([O-])c1ccc(CN(c2ccccc2)S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 743342214 GRYASVCYOPOKOR-UHFFFAOYSA-N 431.401 4.038 5 20 IIBD CCOC(=O)c1c(-c2ccc(C)s2)csc1NC(=O)Cn1cc([N+](=O)[O-])nc1C 743622485 OYDJKYYYODEPMU-UHFFFAOYSA-N 434.499 4.014 5 20 IIBD Cc1ccc(C(C)(C)C)cc1S(=O)(=O)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 744005135 AKGLHAYNNBKKOG-UHFFFAOYSA-N 444.431 4.338 5 20 IIBD COc1ccccc1CN(Cc1cc([N+](=O)[O-])ccc1OC)c1ccc2nc(O)[nH]c2c1 744409557 SNDWNKQJQCHRCU-UHFFFAOYSA-N 434.452 4.401 5 20 IIBD CCc1ccc(C(=O)O[C@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1[N+](=O)[O-] 747010034 DIHYNFVUUCCFLD-SSDOTTSWSA-N 432.301 4.037 5 20 IIBD C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)COC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 747126675 XQTCGHIFQQLKMC-SNVBAGLBSA-N 446.328 4.268 5 20 IIBD Cc1cc(NC(=O)COC(=O)c2cccc(Cl)c2[N+](=O)[O-])ccc1Br 750536043 TYWRIXCPWGZPNL-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD Cc1cc(NC(=O)c2ccco2)sc1C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1 751643081 NAYPLTJJCYERKB-UHFFFAOYSA-N 427.394 4.308 5 20 IIBD Cc1ccc([C@H](C)N/C=C2/C(=O)N(c3ccccn3)C(=O)c3ccccc32)cc1[N+](=O)[O-] 751924299 PAJNSFIPLSZEKX-RZKQZQCBSA-N 428.448 4.177 5 20 IIBD C/C(=C\C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc([N+](=O)[O-])cc1 752348308 JRGRXPHYSZEGPE-LMMOQWNQSA-N 433.804 4.130 5 20 IIBD O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)C1CCN(C(=O)/C=C\c2ccccc2)CC1 753628990 FEAASPVJZXJPEG-WDZFZDKYSA-N 430.464 4.034 5 20 IIBD CCOc1cc(COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1[N+](=O)[O-] 755532661 UTFCMMKSMNIDME-UHFFFAOYSA-N 432.432 4.205 5 20 IIBD Cc1c(CSC(C)C)cccc1NC(=O)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 757276243 NMYYLMPBXCRDPI-UHFFFAOYSA-N 435.933 4.453 5 20 IIBD CCNC(=O)c1cc(Cl)ccc1NC(=O)c1cccc([N+](=O)[O-])c1Br 758313461 KURCHEWJEYGXTI-UHFFFAOYSA-N 426.654 4.013 5 20 IIBD C[C@H](OC(=O)c1cccc([N+](=O)[O-])c1N)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 758961469 DALWGUWUDIKCDB-QMMMGPOBSA-N 431.754 4.033 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)Nc1cccc(C(=O)NCc2ccccc2)c1 762978507 VSBHARXKYYQYRW-UHFFFAOYSA-N 438.871 4.500 5 20 IIBD COc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F 762979791 KUFQZAXGLHPKKJ-LLVKDONJSA-N 438.839 4.244 5 20 IIBD O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1ccc([N+](=O)[O-])c(Cl)c1 764169752 DZFKIDPWHKLSDL-UHFFFAOYSA-N 444.900 4.461 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 765193139 GMVCIVBGFHDLQS-YLJYHZDGSA-N 448.516 4.201 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1Cc2ccc(Br)cc2C1 765196909 OCNMROGJXMCUQJ-UHFFFAOYSA-N 433.305 4.460 5 20 IIBD CC(C)(C)OC(=O)N1CCC(CSCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC1 767218806 HVNWYOVKWQQUBA-UHFFFAOYSA-N 427.498 4.053 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1ncc(-c2ccc(C)cc2C)s1 769640693 IXASMFFDFVMOET-UHFFFAOYSA-N 441.465 4.174 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 770010218 OZIFKRVHVJHWPE-MRXNPFEDSA-N 427.791 4.455 5 20 IIBD CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)c1sc(Br)cc1[N+](=O)[O-] 772120345 DGYUHRSJXUCPDJ-UHFFFAOYSA-N 446.710 4.463 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cn2)CC1 772451254 HWTUXOLPDKFJEM-AWEZNQCLSA-N 446.891 4.064 5 20 IIBD C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CCN1C(=O)OC(C)(C)C 773771991 HVHPZFAABXFTTA-IAGOWNOFSA-N 446.548 4.103 5 20 IIBD Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 775175027 CXHZWLSBOBKXNZ-LJQANCHMSA-N 436.434 4.429 5 20 IIBD Cc1c(C(=O)NCCOCc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] 776351820 GMXCTCVECLFIMG-UHFFFAOYSA-N 428.228 4.065 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cccc(Br)c1Cl 780128358 FHZUGXBIAUSAIK-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)CCc1nnc(-c2cc3ccccc3o2)o1 780634831 RKNJQKCSYCMUHF-UHFFFAOYSA-N 437.408 4.254 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1I)c1ccc(Cl)cn1 781612356 ACTOTTMECDLGJA-QMMMGPOBSA-N 432.601 4.166 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCc1ccc(-c2ccc3c(c2)CCO3)cc1 781623073 POKIAVMGEBKERI-UHFFFAOYSA-N 447.447 4.354 5 20 IIBD O=C(NCc1cccc(Oc2ccccc2)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 783298310 SXUJFAYJEZVIJI-UHFFFAOYSA-N 425.828 4.295 5 20 IIBD CN(C)c1ccc(COC(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)cc1[N+](=O)[O-] 784496281 ZUARTGIIHCHIBR-UHFFFAOYSA-N 441.875 4.129 5 20 IIBD Cc1ccc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(Br)n1 785875475 AZZXIJLYNJLASX-UHFFFAOYSA-N 433.184 4.401 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(I)c1)c1cc(F)c(F)c(F)c1F 788109060 TVRMPLPZODEXAH-UHFFFAOYSA-N 440.090 4.008 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])Cn1nc(COc2ccccc2Cl)n(C)c1=S 795643640 FZPCHEXRMQTYRY-UHFFFAOYSA-N 447.948 4.224 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@H](C)Oc1ccc2ccccc2c1 795720775 SGFSLUAAGAKCOV-CABCVRRESA-N 438.436 4.094 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(N2CCC[C@H](c3nc4ccccc4s3)C2)c1[N+](=O)[O-] 796451437 WEISECYUQGGYBU-ZDUSSCGKSA-N 428.470 4.297 5 20 IIBD Cc1c(C(=O)N2CCOc3cc(Cl)c(Cl)cc32)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 797353803 RQHSPTDLTJCFMQ-UHFFFAOYSA-N 426.212 4.466 5 20 IIBD CCCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 799654394 XNCDUJYSAGDLRP-UHFFFAOYSA-N 433.364 4.127 5 20 IIBD CC(C)OCc1c(C(=O)OCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)oc2ccccc12 800670184 LBLGPMSNYAKYTE-UHFFFAOYSA-N 426.425 4.086 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C 801052111 XJNROWDQCCPTFM-PKOBYXMFSA-N 433.549 4.315 5 20 IIBD O=C(COC(=O)c1ccccc1Oc1ccncc1)Nc1ccc([N+](=O)[O-])cc1Cl 801501720 UYFJEMZWNFYIGO-UHFFFAOYSA-N 427.800 4.231 5 20 IIBD CCc1ccc([C@@H](O)CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 804152356 ZQANWXBMWPOKKQ-MWTRTKDXSA-N 434.496 4.189 5 20 IIBD CC[C@H](NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 810346136 DRSOZGPVSFTDEX-AWEZNQCLSA-N 440.681 4.217 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 810392376 TVNJCTPPJKQOKZ-UHFFFAOYSA-N 428.445 4.081 5 20 IIBD O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cc(F)ccc1N1CCOCC1 813305246 WXLGPGTWMYEHAJ-UHFFFAOYSA-N 443.456 4.051 5 20 IIBD CCN(Cc1ccccc1)C(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 823259709 PIMZKGZDMNYSKJ-SFHVURJKSA-N 439.512 4.179 5 20 IIBD CC1=C(C(=O)Nc2cc(C)on2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1Cc1ccccc1 839407178 RUQFHZHLMYHHTQ-NRFANRHFSA-N 447.451 4.070 5 20 IIBD O=C(CC1(CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCC1)Nc1ccc([N+](=O)[O-])cc1 864598323 CQVOMVQUXNIURZ-UHFFFAOYSA-N 426.429 4.421 5 20 IIBD COCCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 884085395 SWYNELUPWCWSRS-UHFFFAOYSA-N 438.811 4.109 5 20 IIBD COc1cc(COC(=O)c2cnn(-c3cccc(C)c3)c2C)c([N+](=O)[O-])cc1OC(F)F 900194037 KBXHOWOVGCPPMQ-UHFFFAOYSA-N 447.394 4.364 5 20 IIBD C[C@H](OC(=O)COc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 919397953 UYZSUXZWDLEYJP-JTQLQIEISA-N 446.765 4.216 5 20 IIBD CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1F 1116847580 KONZOXGQZKNNMW-UHFFFAOYSA-N 445.428 4.285 5 20 IIBD C[C@H](Oc1ccccc1F)c1nnc(-c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)o1 1117161437 CCFNPFRYZUAXOB-NSHDSACASA-N 442.432 4.204 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](c1ccccc1)c1noc(COc2ccc([N+](=O)[O-])cc2)n1 1251843133 OVTUXKSRLALLEW-SFHVURJKSA-N 426.429 4.171 5 20 IIBD Cc1cc(OCc2ccc(-c3nnc(Cn4cc([N+](=O)[O-])cn4)o3)cc2)ccc1Cl 1328191296 RJUXZZKWGXTYRX-UHFFFAOYSA-N 425.832 4.430 5 20 IIBD CO/C=C(\C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(C)c([N+](=O)[O-])c3)CCC2)cc1 1789433257 DQYMZDLYZYGQNV-BMRADRMJSA-N 437.496 4.130 5 20 IIBD CC(C)c1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])[nH]4)cc3)CCC2)on1 1790187233 KEVIORHSEYJIEI-UHFFFAOYSA-N 437.456 4.096 5 20 IIBD CC[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc([N+](=O)[O-])o3)n[nH]2)CC1 1814311325 DRNFDQQSJDCWCY-BFYDXBDKSA-N 443.504 4.433 5 20 IIBD CC(C)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2cc(F)ccc2[N+](=O)[O-])[nH]n1 1821934513 RQXSRMWJPSWCNI-LJQANCHMSA-N 445.495 4.128 5 20 IIBD Cc1cc(C)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)c1 1823614072 QHQDVKZZSPOVCA-HXUWFJFHSA-N 439.512 4.352 5 20 IIBD CCC(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)CC2 1825148347 WRSRXDUPWLEKTA-OAHLLOKOSA-N 444.557 4.032 5 20 IIBD C[C@@H]1C[C@]1(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830223989 NZQYUPKRODWVPO-ZOUOIUENSA-N 431.508 4.013 5 20 IIBD CCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])c(O)cc2C)CC1 1830790812 WLAUXCWDTWZDHF-LJQANCHMSA-N 445.560 4.278 5 20 IIBD C[C@@H](OC(=O)c1ccc(COc2ccccc2)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 9480593 HCNRICGJLGZXLF-OAHLLOKOSA-N 438.411 4.497 5 20 IIBD CSc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1[N+](=O)[O-] 9620559 USNKHQUUNVNKFQ-VIFPVBQESA-N 439.833 4.062 5 20 IIBD CCOC(=O)c1cc(C(=O)O[C@H](C)C(=O)Nc2ccc3ccccc3c2)cc([N+](=O)[O-])c1 10856899 URYLQAKPDHPXLY-CQSZACIVSA-N 436.420 4.109 5 20 IIBD CCc1ccc([C@@H](C)NC(=O)COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 11278189 DZFUFOIYOACKHU-GOSISDBHSA-N 442.515 4.138 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 14502293 PUKPVENHONHCIR-UHFFFAOYSA-N 442.475 4.202 5 20 IIBD CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 15179724 OIANZVSFSRUYRI-UHFFFAOYSA-N 439.921 4.148 5 20 IIBD Cc1[nH]c(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)c1C(=O)OC(C)C 17726863 RMNVJMLZKUCHPH-CYBMUJFWSA-N 442.428 4.073 5 20 IIBD CCOc1cc(C(=O)O[C@@H](C)C(=O)Nc2cccc3ccccc23)c([N+](=O)[O-])cc1OC 19473475 APLUMDCZVJGQPB-AWEZNQCLSA-N 438.436 4.339 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])s1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 23344825 IBYJBSWMAGRROS-LBPRGKRZSA-N 432.454 4.272 5 20 IIBD CC(C)n1c(SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])nc2ccccc2c1=O 24218006 FSCPHSVIAAMSOJ-UHFFFAOYSA-N 432.889 4.270 5 20 IIBD CC1CCN(c2nnc(SCc3nc(-c4ccc([N+](=O)[O-])cc4)no3)n2C2CC2)CC1 46864962 PWAYNVRUEGXBRH-UHFFFAOYSA-N 441.517 4.100 5 20 IIBD Cc1sc2ncnc(N3CCC(C(=O)N4CCc5cc([N+](=O)[O-])ccc54)CC3)c2c1C 57836816 AOCCJIFILMBHPL-UHFFFAOYSA-N 437.525 4.022 5 20 IIBD O=C(CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)NC1CCCCC1 58712556 DINQMHMCYUYAKL-UHFFFAOYSA-N 431.876 4.219 5 20 IIBD Cn1cc(C(=O)Nc2ncc(Cc3ccccc3F)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 65072637 FSIJEPFIATYPFC-UHFFFAOYSA-N 437.456 4.434 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 71974139 KZCRLXFLNAVOLC-UHFFFAOYSA-N 444.309 4.442 5 20 IIBD O=C(c1ccoc1)N1CCC(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 237817144 DWHNTLKEKIGNPR-UHFFFAOYSA-N 429.860 4.496 5 20 IIBD CNS(=O)(=O)c1ccc([C@H](C)Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])cc1 301107111 UVJHRYBFOFWNEP-VIFPVBQESA-N 437.827 4.348 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H]3[C@H]4CCO[C@H]4C3(C)C)c([N+](=O)[O-])c2)c(C)c1 301377184 WKOJEBVPEJGWLJ-MAODMQOUSA-N 445.541 4.238 5 20 IIBD O=[N+]([O-])c1cc(Br)cnc1N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 301722549 RQCYEBKMQKAQFR-FUHWJXTLSA-N 431.334 4.243 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1)c1ccc(C(F)(F)F)cc1 426915230 DUORDXHPBIWTOD-SNVBAGLBSA-N 437.403 4.374 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N(Cc2ccccn2)C2CC2)c([N+](=O)[O-])c1 432135763 LQILGRSIRUVTLC-UHFFFAOYSA-N 431.448 4.176 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCC[C@@H]([C@@H](O)C(F)(F)F)C3)c([N+](=O)[O-])c2)cc1 433793132 QPBDDXNMVLNRFP-DNVCBOLYSA-N 437.418 4.295 5 20 IIBD COCCOc1ccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(C)c1 437814343 HBOFURIGVPQXSW-UHFFFAOYSA-N 429.473 4.004 5 20 IIBD COC(=O)[C@@H](CNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 438484850 SFXDYQLFPHLTMU-NRFANRHFSA-N 435.436 4.465 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCc2sc(C)nc2C)c([N+](=O)[O-])c1 443447417 WAIHKRIIEUIYDH-UHFFFAOYSA-N 425.466 4.298 5 20 IIBD O=C(CC1CCCC1)NC1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC1 444005172 VLSLZTAMMNIMCJ-UHFFFAOYSA-N 449.526 4.122 5 20 IIBD O=C(Nc1ccccc1N1CCC(CO)CC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 444233893 FKAFYDZIIKWIRY-UHFFFAOYSA-N 427.504 4.142 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 444491996 APGLYEXHNJURRE-UHFFFAOYSA-N 431.448 4.380 5 20 IIBD O=C(Nc1cccc(Cl)c1N1CCOCC1)c1sc(Br)cc1[N+](=O)[O-] 445252307 SPMXESYWFHQUFE-UHFFFAOYSA-N 446.710 4.161 5 20 IIBD Cc1ccccc1[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)[C@@H](C)CO1 447038374 FANCKCDPRLEESI-SUMWQHHRSA-N 444.431 4.073 5 20 IIBD Cc1c(CC(=O)N2CCC(Nc3cccc(Br)c3)CC2)cccc1[N+](=O)[O-] 447695098 KXQGONPSGQPFSF-UHFFFAOYSA-N 432.318 4.311 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1 447719447 MKJVLYTTWPVJHA-ZDUSSCGKSA-N 434.851 4.276 5 20 IIBD CN(CC[C@H]1CCCCN1C)C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 461265278 PVHKEADKSQPQKF-CYBMUJFWSA-N 440.331 4.034 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccccc1OC)C[C@@H]1CCCO1 462438054 RGJVSVMTTPXHBR-UGKGYDQZSA-N 426.513 4.380 5 20 IIBD CCN(CC)C(=O)CCC1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 462689026 CGTRKKDUMFQBNA-UHFFFAOYSA-N 440.544 4.434 5 20 IIBD Cc1nc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)nc2c1CCCC2 463251979 IGNKPCNEBZPXDS-UHFFFAOYSA-N 447.282 4.317 5 20 IIBD CC(C)[C@@H](c1ccc(F)cc1)N(C)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 468118642 DFPDVDUURACOJG-NRFANRHFSA-N 429.448 4.278 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 468570392 DIOKOLZBQJBIQU-HNNXBMFYSA-N 434.290 4.083 5 20 IIBD C[C@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(OCC2CC2)c(F)c1 469442624 LKEILUOVSBOLOB-AWEZNQCLSA-N 438.459 4.414 5 20 IIBD CC[C@H]1CN(C(=O)c2cc(OC)c(OCCOC)cc2[N+](=O)[O-])CC[C@H]1c1ccccc1 470011020 FKDSIMRPMOQTBQ-PKOBYXMFSA-N 442.512 4.285 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CC2(CCCC2)c2cccc(F)c21 470103359 ZCNJQYFTCSZKFF-UHFFFAOYSA-N 425.460 4.043 5 20 IIBD O=C(NC[C@@H]1CC2c3ccccc3C1c1ccccc12)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 472558713 FGAVMLGYZGGCEP-WVSTVCSASA-N 445.450 4.086 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1nc(-c2ccccc2Cl)cs1 476532652 CECYBLJSXGXDJF-CYBMUJFWSA-N 434.909 4.243 5 20 IIBD CC(=O)N1CCC[C@@H](CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 477317879 GMSJYZYIPYLILX-HNNXBMFYSA-N 431.876 4.029 5 20 IIBD CCn1c(S[C@H]2CCCN(c3ccccc3F)C2=O)nnc1-c1ccc([N+](=O)[O-])cc1 478642986 NFDQUGUKQBYDKV-SFHVURJKSA-N 441.488 4.300 5 20 IIBD COc1ccc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 480549286 HRZCCDBIEAZIEL-KZULUSFZSA-N 438.267 4.068 5 20 IIBD COCCN(C(C)=O)c1nc(COc2ccc(Cc3ccccc3)cc2[N+](=O)[O-])cs1 481977800 AMDXCARONFSETR-UHFFFAOYSA-N 441.509 4.220 5 20 IIBD CCOC(=O)c1csc([C@@H]2CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n1 482945122 JIMXGHDOHTUATR-AWEZNQCLSA-N 431.495 4.420 5 20 IIBD CN(CCCOc1cccc(S(C)(=O)=O)c1)c1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 484846476 KKIGHBZAIGSEEI-UHFFFAOYSA-N 436.530 4.081 5 20 IIBD COc1cc(F)c([C@H](C)NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 487041829 YHTKCXHNYCFEIA-NSHDSACASA-N 425.844 4.007 5 20 IIBD CCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 487341242 QVXUCPUFGDUBSM-KRWDZBQOSA-N 427.526 4.124 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(SC)cc1OC 487423629 ZGYRBZOSKXWJBE-UHFFFAOYSA-N 436.511 4.233 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1CN1CCSCC1 489365968 ZRSHUINCHFFOLG-AWEZNQCLSA-N 435.933 4.203 5 20 IIBD O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1cc([N+](=O)[O-])ccc1OC(F)F 489406446 JEPIXFYEMRMKSU-UHFFFAOYSA-N 425.351 4.387 5 20 IIBD Cc1c(Br)cc(C(=O)N(C[C@H](C)c2ccccc2)[C@@H](C)CO)cc1[N+](=O)[O-] 489463909 ARVNOXRMRFXCHP-KBPBESRZSA-N 435.318 4.292 5 20 IIBD Cc1cc(S(=O)(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)ccc1[N+](=O)[O-] 490046397 VPSVTJSHIYVUDL-ACJLOTCBSA-N 444.431 4.073 5 20 IIBD COc1c(F)cc(S(=O)(=O)N(C)C2c3ccccc3-c3ccccc32)cc1[N+](=O)[O-] 491764658 UOHJIWZHHCPAAC-UHFFFAOYSA-N 428.441 4.133 5 20 IIBD Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 497523056 YLWQMAQGPJEUTC-MRXNPFEDSA-N 449.298 4.405 5 20 IIBD Cc1cc(-c2csc(NC(=O)C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)n2)c(C)o1 500258921 RDZQFUKSFONFSV-UHFFFAOYSA-N 440.481 4.058 5 20 IIBD C[C@H](NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1cccc(Cl)c1Cl 502256296 MCXOAICLJZAFOI-LBPRGKRZSA-N 436.295 4.270 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H](C)[C@H]2CCCOC2)cc1[N+](=O)[O-] 504855979 CCSYAJPSNSUEIP-HOCLYGCPSA-N 428.510 4.093 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCN([C@H](C)c2ccccc2F)C1=O 505429197 QEDIDILAAONKQN-SIFCLUCFSA-N 445.516 4.083 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCN[C@H](c2cccnc2)C1 505483452 JBNLAJGVXZGFTQ-IBGZPJMESA-N 438.871 4.222 5 20 IIBD CCOc1ccc(Oc2ccc(NC(=O)C(=O)NCCc3ccc([N+](=O)[O-])cc3)cc2)cc1 506396666 LDUNMAOEPFDUQU-UHFFFAOYSA-N 449.463 4.083 5 20 IIBD O=C(Nc1ccccc1OC(F)F)c1ccc([N+](=O)[O-])cc1I 508924490 PZESKWMTORQCNI-UHFFFAOYSA-N 434.136 4.053 5 20 IIBD Cc1c(NC(=O)N[C@H](C)c2cc3c(cc2Br)OCCO3)cccc1[N+](=O)[O-] 511214766 QQNBRIWBACHUBK-LLVKDONJSA-N 436.262 4.320 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 511240888 NAGBWPDJUXCFJN-QGZVFWFLSA-N 430.404 4.064 5 20 IIBD COc1ccc(CN(CC2CCC2)C(=O)NCCc2ccccc2[N+](=O)[O-])c(OC)c1 511501018 WVOMWNKDEXGMEG-UHFFFAOYSA-N 427.501 4.166 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N(C)C[C@H]2CCCOC2)cc1[N+](=O)[O-] 517407598 YTVNECKNBUACRX-OAHLLOKOSA-N 428.510 4.046 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1 520388997 RTOFXLZHSCRSGU-ZDUSSCGKSA-N 440.843 4.302 5 20 IIBD COc1ccccc1[C@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 522536234 CLUAPUSQXSKZES-SFHVURJKSA-N 447.285 4.449 5 20 IIBD C[C@@H](CN1CCN(c2ccccn2)CC1)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 522757387 DLDRSODFHPKQIF-SFHVURJKSA-N 437.569 4.019 5 20 IIBD O=C(CCc1nc2cc(Cl)ccc2s1)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 523303194 LSHFMQIFZHGGLL-UHFFFAOYSA-N 428.861 4.214 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2nc3ccccc3s2)CC1 523697777 BABRNSLZGIZBKR-AWEZNQCLSA-N 428.539 4.034 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N[C@@H](Cc2ccc(C)cc2)c2ccccn2)c([N+](=O)[O-])c1 523741516 ORFUCFOLZCFBKN-JTSKRJEESA-N 434.496 4.207 5 20 IIBD Cc1ccc(S(=O)(=O)N(C)CC2(c3ccc(Br)cc3)CC2)c([N+](=O)[O-])c1 525459780 VCLZIKNAHSVLRT-UHFFFAOYSA-N 439.331 4.018 5 20 IIBD COc1ccc(NC(=O)CN2CCC[C@@H]2c2ccc(Br)cc2)c([N+](=O)[O-])c1 532588410 BAUAJXREAHLCPV-QGZVFWFLSA-N 434.290 4.142 5 20 IIBD O=C(CCc1ccccc1)N1CCCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 534144300 LXYVOGWGGOUWRZ-UHFFFAOYSA-N 430.508 4.328 5 20 IIBD Cc1cccc(-n2ccnc2S(=O)(=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1C 535507363 LIZHFJKRBRMSFO-UHFFFAOYSA-N 438.465 4.026 5 20 IIBD COCCn1c(C)cc(C(=O)CSCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1C 535509451 SXOSEAIOYCBZQD-UHFFFAOYSA-N 429.498 4.431 5 20 IIBD CSc1cccc(N(C)C(=O)c2cc(I)cc([N+](=O)[O-])c2)c1 535735594 CWQRALPPSGPKEK-UHFFFAOYSA-N 428.251 4.198 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CSc3nnc(N4CCCCC4)n3C3CC3)co2)cc1 536300618 OPXMNXHROBWVNI-UHFFFAOYSA-N 426.502 4.459 5 20 IIBD CC1CCC(N2C[C@@H](C(=O)N(C)c3nc(-c4ccccc4[N+](=O)[O-])cs3)CC2=O)CC1 538255845 QVVWTPUARAFUKS-PCKAHOCUSA-N 442.541 4.108 5 20 IIBD O=C(N[C@@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1O)c1ccccc1)c1ccccc1 540880933 NHYPQGGFVVDPKN-GOSISDBHSA-N 425.828 4.064 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H](c2ccc(Cl)c(Cl)c2)C2CC2)cc1 542682815 UVUOTGLEXSUDJK-SFHVURJKSA-N 429.325 4.416 5 20 IIBD O=C(N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1cc2c(cc1[N+](=O)[O-])OCO2 543734385 YPGFZAKUPLHEMA-AWEZNQCLSA-N 436.264 4.376 5 20 IIBD Cc1cnc(O)n1-c1cccc(-c2noc(CCOc3ccc(Cl)cc3[N+](=O)[O-])n2)c1 544356202 JYQVIRBJZFYSGV-UHFFFAOYSA-N 441.831 4.119 5 20 IIBD CC(C)(C)c1cc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])n(Cc2ccccc2)n1 544737029 ODGOPVPTXVRRNF-UHFFFAOYSA-N 428.514 4.079 5 20 IIBD Cc1cc(-c2noc(-c3csc(-c4ccc([N+](=O)[O-])cc4)n3)n2)ccc1-n1cncn1 545051435 FEJABEYWMHCQKM-UHFFFAOYSA-N 431.437 4.324 5 20 IIBD COc1ccc(Cc2noc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)n2)c(Cl)c1OC 545670813 JINVQQLRFLTKMN-UHFFFAOYSA-N 428.832 4.311 5 20 IIBD CCn1c(SCC2CCN(C(=O)C(C)(C)C)CC2)nnc1-c1ccc([N+](=O)[O-])cc1 547252176 CKNBTRZCLRJZFF-UHFFFAOYSA-N 431.562 4.250 5 20 IIBD COc1ccc(Cl)c(NC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c1 555952062 CDKBIYYTJVKWOE-MRXNPFEDSA-N 435.864 4.461 5 20 IIBD Cc1c([N+](=O)[O-])cn(Cc2nc3cc(C(F)(F)F)ccc3o2)c(=O)c1Br 557498893 GIJUAHUGGNSNTM-UHFFFAOYSA-N 432.152 4.036 5 20 IIBD COc1cccc(OC(F)(F)F)c1CNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 557889223 AQNKVXHUJFMTMJ-GFCCVEGCSA-N 427.379 4.371 5 20 IIBD CCOc1cc(CN2CCS[C@H](C(C)C)C2)ccc1OCCn1c([N+](=O)[O-])cnc1C 560559999 BLEFQQCWBYKSNC-NRFANRHFSA-N 448.589 4.151 5 20 IIBD O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 561438158 PUTYZKDPSTUFDY-OAHLLOKOSA-N 440.862 4.458 5 20 IIBD CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NC(=O)c2cc3ccccc3c3cccnc23)s1 561455643 JLAJBLVTCKQIRZ-KBPBESRZSA-N 433.537 4.195 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2noc(-c3ccccc3)c2Br)c([N+](=O)[O-])c1 564564782 VXCOKUWRODJPBA-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD Cc1c(NC(=O)[C@@H](C)N2CCC(c3noc4cc(F)ccc34)CC2)cccc1[N+](=O)[O-] 570321748 SUIKJSZECNSPPX-CQSZACIVSA-N 426.448 4.390 5 20 IIBD CCOc1ccc([C@H](C)NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc1OCC 570494440 UUVDUSTZECLQAH-HNNXBMFYSA-N 429.473 4.057 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)[S@@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c(Cl)c1 571816484 OIHLEBCPYUAYSZ-OSXTUODASA-N 447.900 4.488 5 20 IIBD Cc1ccc(NC(=O)Nc2ccccc2)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 603975481 CVMMHIRHMGLGQK-UHFFFAOYSA-N 426.454 4.348 5 20 IIBD COc1cc([C@H](C)NC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)ccc1OC1CCCC1 604105738 VLIXJJLTSCQWSP-HNNXBMFYSA-N 443.500 4.494 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1cccc(NC(=O)C2CCC2)c1 604442683 NKUBKHILLZCZQH-CYBMUJFWSA-N 431.876 4.071 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)c1cccnc1Oc1cccc(Br)c1 604470978 JQGACMLDMJGZAU-UHFFFAOYSA-N 428.242 4.475 5 20 IIBD CC(C)(C(=O)N1CCC(CCc2cccc(C(F)(F)F)c2)CC1)n1cc([N+](=O)[O-])cn1 608804730 ICUGAMOSKDGMEN-UHFFFAOYSA-N 438.450 4.417 5 20 IIBD COc1cc(CCNC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])cc1OC 608956283 INVYZXIYEUNWKR-UHFFFAOYSA-N 438.402 4.021 5 20 IIBD Cc1ccn2cc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])cc5c4OCCO5)cc3)nc2c1 608957222 NUQMRWCZMDVWNG-UHFFFAOYSA-N 430.420 4.241 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1nnc(Cc2ccc(F)cc2)s1 609304062 CCAQGDXESHHQRE-SNVBAGLBSA-N 436.852 4.236 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N1CCCc2sccc2C1 609333847 WYYJKVJXAKYEAM-UHFFFAOYSA-N 435.571 4.174 5 20 IIBD Cc1cc(S(=O)(=O)Nc2c(C)cnn2[C@@H]2CCCc3ccccc32)ccc1[N+](=O)[O-] 609690824 FIUKVZKBPDPGCO-HXUWFJFHSA-N 426.498 4.135 5 20 IIBD CC(=O)Nc1cc(C(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)ccc1F 609817046 KSUMNYPYMJYIHQ-UHFFFAOYSA-N 449.398 4.390 5 20 IIBD O=[N+]([O-])c1ccc2ncnc(Sc3nnc(-c4ccccn4)n3-c3ccccc3)c2c1 611710559 CQPQGZQESFIIJS-UHFFFAOYSA-N 427.449 4.332 5 20 IIBD O=[N+]([O-])c1ccc2ncnc(NC[C@@H]3CCN(c4cccc(Br)c4)C3)c2c1 611710766 WOHMSANVSLSHPL-ZDUSSCGKSA-N 428.290 4.239 5 20 IIBD COc1cc(C(F)(F)F)ncc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 682986559 APXAQFONLVHEON-UHFFFAOYSA-N 427.382 4.216 5 20 IIBD O=C(COC(=O)c1csc(Cc2ccc(F)cc2)n1)Nc1cc(Cl)ccc1[N+](=O)[O-] 727019105 DITNHXRTABAHFI-UHFFFAOYSA-N 449.847 4.230 5 20 IIBD Cc1cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(-c2ccc(Cl)cc2)n1 727246603 NICAUPLLYINSDB-UHFFFAOYSA-N 427.269 4.197 5 20 IIBD O=C(OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 727926240 HXDFIYZCBBQQSO-LSDHHAIUSA-N 435.263 4.138 5 20 IIBD COCCN(C(=O)c1cc2nc(C)ccc2o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 729168171 QPEDKDIYKNXUQD-UHFFFAOYSA-N 438.465 4.461 5 20 IIBD COc1cc(COC(=O)c2sccc2OC(F)F)c([N+](=O)[O-])cc1OC(F)F 729774209 BKBHPSFDAJDGTH-UHFFFAOYSA-N 425.312 4.225 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1 730074483 LQLPJZAYZBROID-LJQANCHMSA-N 433.436 4.455 5 20 IIBD O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cnc(-c2ccccc2Cl)s1 731517377 WDJKSXFHXMNDRO-INIZCTEOSA-N 443.868 4.334 5 20 IIBD O=C(COC(=O)C[C@@H]1CCc2ccccc2C1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 732585123 DCURAMONIDKCSH-CYBMUJFWSA-N 436.386 4.291 5 20 IIBD CC(C)[C@H]1CCCN(C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 734107834 CGGSTMXKVXZSJZ-KRWDZBQOSA-N 446.525 4.261 5 20 IIBD CN1C(=O)CC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]1c1ccc(C(F)(F)F)cc1 734388954 MEOYVLQYQCAVJP-KDOFPFPSSA-N 439.365 4.301 5 20 IIBD COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F 735996491 GZMPKTWEURTMTA-KRWDZBQOSA-N 437.399 4.086 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)c(O)c1 740924896 DQMQHMXEJVIWEX-UHFFFAOYSA-N 439.428 4.290 5 20 IIBD COc1ccc(Br)cc1C(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 741567797 GYNZOHILLRYQTJ-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD COCCOCc1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2Br)ccc1F 741947279 OBNBNLFQXKDLNL-UHFFFAOYSA-N 442.237 4.016 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)cc1 743227484 UZIWJLWSINMVEF-OAHLLOKOSA-N 444.488 4.381 5 20 IIBD COc1ccc(OCCOC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)c([N+](=O)[O-])c1 744503845 LGALNCNWWBQTGK-UHFFFAOYSA-N 445.859 4.046 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 745334828 ZQXDGKCPQFDQGL-QHCPKHFHSA-N 434.448 4.378 5 20 IIBD CN(CC(=O)OCc1ncc(-c2cccc(Br)c2)o1)c1ccccc1[N+](=O)[O-] 745615105 SZMRWLPQBJZCGA-UHFFFAOYSA-N 446.257 4.192 5 20 IIBD COC(=O)c1ccc(OC(C)C)c(N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 746195882 OAAARYXQGQNQAR-GFCCVEGCSA-N 435.864 4.261 5 20 IIBD Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 747634018 BMZPCIOSUGIIMT-GHTZIAJQSA-N 434.521 4.475 5 20 IIBD CC[C@@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)Nc1ccc(OC)cc1 747961035 DMXRWIFCZWIFHB-GOSISDBHSA-N 441.465 4.301 5 20 IIBD O=C(NCCCOC1CCN(Cc2ccccc2)CC1)c1cc(Cl)ccc1[N+](=O)[O-] 748739779 SHMOQVJNNNQUQT-UHFFFAOYSA-N 431.920 4.049 5 20 IIBD Cc1c(C(=O)OCC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748943264 FWFKUAMPMITALB-ZDUSSCGKSA-N 449.847 4.150 5 20 IIBD CCCc1c(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cnn1-c1cccc(F)c1 753521069 IPLXCWFCYCLCKE-UHFFFAOYSA-N 427.392 4.341 5 20 IIBD CCOC(=O)/C=C/c1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1 754964764 CGNYMNZHAVJVQQ-VMPITWQZSA-N 437.221 4.325 5 20 IIBD O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)c1cc(F)cc([N+](=O)[O-])c1Br 754988702 PSRSLXLLQIIOFY-FZKQIMNGSA-N 437.265 4.394 5 20 IIBD C[C@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(-n2cccn2)cc1 755031131 SRWUSWJSGGDTCL-LBPRGKRZSA-N 430.262 4.426 5 20 IIBD Cc1ccc([C@H](NC(=O)COC(=O)CCc2cccc([N+](=O)[O-])c2)c2cccs2)cc1 756538222 VOPUDMYYWAPUKH-QHCPKHFHSA-N 438.505 4.346 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@@H](O)c1cc2ccccc2s1 757567282 YANUMVLHYFQKRE-OAQYLSRUSA-N 428.513 4.219 5 20 IIBD Cc1ccc(-c2nc(C(=O)O[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cs2)n1C 758575715 DPDQXXCYHKLHNP-GFCCVEGCSA-N 439.453 4.333 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC(OCc2ccc(F)cc2)CC1 758933223 CFRIKRJRRNZYLN-UHFFFAOYSA-N 437.265 4.318 5 20 IIBD COc1cc(S(=O)(=O)Nc2ccc(CC[C@@H](O)c3ccccc3)cc2)ccc1[N+](=O)[O-] 759165643 QYSCVTPBSXMKNU-OAQYLSRUSA-N 442.493 4.070 5 20 IIBD C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@H](c2ccsc2)O1 759967176 VLLKBJPFVMHWEC-YMTOWFKASA-N 429.267 4.160 5 20 IIBD O=C(OCc1cc(=O)c(OCc2ccccc2)co1)c1cc([N+](=O)[O-])ccc1OC(F)F 760236900 LIRWGTVTNPXHMQ-UHFFFAOYSA-N 447.346 4.085 5 20 IIBD Cc1cc(C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c(C)n1Cc1ccccn1 760486402 LZGLSONVSUXTTE-UHFFFAOYSA-N 432.436 4.468 5 20 IIBD CC(C)NC(=O)c1ccc(NC[C@H](O)c2cccc(OCc3ccccc3)c2)c([N+](=O)[O-])c1 760493938 VNNKYISINFFTSA-DEOSSOPVSA-N 449.507 4.458 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)c2ccnc(Cl)c2I)cc1[N+](=O)[O-] 764514078 TYQNXYFULNXOKJ-SECBINFHSA-N 445.644 4.047 5 20 IIBD O=C(N[C@H](C(=O)O)c1cc(F)ccc1F)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 766961461 MYFQSAHFPRFMFE-FQEVSTJZSA-N 441.390 4.041 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)cc([N+](=O)[O-])c1F 768272061 KVVMXRQTQWRRCJ-UHFFFAOYSA-N 425.438 4.190 5 20 IIBD CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1Cl 768883926 ZYKGDBGNNVSNJZ-UHFFFAOYSA-N 431.923 4.029 5 20 IIBD COc1cccc([C@@H]2[C@H](C(=O)OCc3cc(Cl)ccc3[N+](=O)[O-])CC(=O)N2C2CC2)c1 776452696 BKNWBXOKQHUHKZ-WIYYLYMNSA-N 444.871 4.052 5 20 IIBD O=C(NCCSCc1ccnc(Cl)c1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 779598987 IKMBBLAFHVWJFK-UHFFFAOYSA-N 432.836 4.300 5 20 IIBD C[C@@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@H]1CNC(=O)OC(C)(C)C 780851929 KNETZTYOGFJHED-ZHRRBRCNSA-N 449.551 4.447 5 20 IIBD O=C(OCc1nc(-c2cccs2)n[nH]1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781255972 HLALOLLNKYFSKT-UHFFFAOYSA-N 438.415 4.163 5 20 IIBD Cc1cc(C)c(CCNC(=O)COC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c(C)c1 781269489 VUOZUMHFBXKQSA-UHFFFAOYSA-N 442.515 4.122 5 20 IIBD O=C(Nc1ccc(COCc2ccccc2)cc1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781681876 MUDIMDVVILJKND-QHCPKHFHSA-N 431.448 4.443 5 20 IIBD O=C(Nc1ncc(C2CCCCC2)s1)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 782483495 VRPYCBBHOMYOTC-UHFFFAOYSA-N 434.430 4.031 5 20 IIBD CC[C@@H](Cc1ccccc1)N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br 784717705 LCKYFYFZBLWVSY-HNNXBMFYSA-N 448.317 4.084 5 20 IIBD O=C(O[C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1)C1(c2cccc(F)c2)CCOCC1 787030674 LMRYIAFMSGWPLF-IBGZPJMESA-N 446.450 4.133 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2cnccc2Oc2ccccc2)c(C)c1[N+](=O)[O-] 790635048 QLMFKPHBOUGAAI-UHFFFAOYSA-N 444.425 4.108 5 20 IIBD COC(=O)c1ccc(Br)c(C)c1NC(=O)c1cc([N+](=O)[O-])cc(C)c1F 790803344 VFRYJRXDZYLCMN-UHFFFAOYSA-N 425.210 4.152 5 20 IIBD O=C(CCc1cc(F)ccc1F)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791169430 VQOZMXWJLZHNJS-UHFFFAOYSA-N 425.229 4.153 5 20 IIBD COc1ccc(OC)c(-c2csc(NC(=O)c3cc([N+](=O)[O-])c(N(C)C)cc3F)n2)c1 791197185 JHEGBKLFGDAQKZ-UHFFFAOYSA-N 446.460 4.193 5 20 IIBD C[C@H](O)[C@](C)(CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)Cc1ccccc1 792345372 PSPBRLOJRCKDKA-DJJJIMSYSA-N 436.306 4.109 5 20 IIBD CO[C@@H]1CCC[C@@H](CC(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)C1 793119413 XRTYKJVVISGKGX-SLYNCCJLSA-N 432.517 4.118 5 20 IIBD CN(C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)c1nccs1 801308864 YUYPMVRJFSXMIC-UHFFFAOYSA-N 435.527 4.153 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 801980954 FOIFMWJHIDPJKL-UHFFFAOYSA-N 445.344 4.316 5 20 IIBD CC(C)c1noc(Cc2ccc(NS(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2)n1 802722255 LKWXQVYOZAWYJF-UHFFFAOYSA-N 436.877 4.146 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1CCNC(=O)OC(C)(C)C 805299109 TYYCWERLZPORGI-CVEARBPZSA-N 437.562 4.371 5 20 IIBD CCOc1cc(NC(=O)c2cc(Br)ncc2Cl)c([N+](=O)[O-])cc1OCC 808054678 VTGUPXWZTNSZOG-UHFFFAOYSA-N 444.669 4.455 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2-c2nc(CN(C)C(=O)c3ccccc3)no2)CC1 809417595 ZRXRMOZHJQMZKG-UHFFFAOYSA-N 435.484 4.153 5 20 IIBD Cc1c(NC(=O)[C@@H](C)N2CCN(C(=O)OC(C)(C)C)c3ccccc32)cccc1[N+](=O)[O-] 810053023 CTIIMALGOCCZJJ-MRXNPFEDSA-N 440.500 4.492 5 20 IIBD COc1cc(C(=O)N2CCC([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc([N+](=O)[O-])c1C 810949827 UEJXZIYDRHBYDO-QGZVFWFLSA-N 447.532 4.021 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@@H](C)[C@@H](O)c3ccccc3)cc2[N+](=O)[O-])n1 811538927 SYSGOYVKOUWQOR-SCLBCKFNSA-N 429.523 4.363 5 20 IIBD C[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 814133720 QYKXVDFXLQGJCK-LBPRGKRZSA-N 444.326 4.171 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccn(-c2ccc(Br)cc2)n1 814261789 FWTYZVNZJOJJPX-UHFFFAOYSA-N 449.692 4.469 5 20 IIBD Cc1ccc2nc([C@H]3CCCN3S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])[nH]c2c1 815006928 LEIRUOCWSNBISX-OAHLLOKOSA-N 438.868 4.098 5 20 IIBD O=C(COC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 849194923 HQXVBBRYOCFSTP-UHFFFAOYSA-N 427.416 4.487 5 20 IIBD Cc1cc(C)cc(OCCC(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 913326071 KQXWNGKBISFIRS-UHFFFAOYSA-N 440.374 4.181 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccc(Cl)nc3)cc2)cc1[N+](=O)[O-] 913461943 WLDMDFKVUVJHCQ-UHFFFAOYSA-N 446.872 4.005 5 20 IIBD Cc1c(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1-c1ccc(F)cc1 914628366 KJYGXXXBTFOURK-CYBMUJFWSA-N 437.387 4.196 5 20 IIBD COc1ccc(CSCC(=O)O[C@@H](C)C(=O)Nc2cccc(C)c2C)cc1[N+](=O)[O-] 914800045 HUNDATOJRUQWPU-HNNXBMFYSA-N 432.498 4.024 5 20 IIBD COCCCn1c(SCc2cc(F)ccc2[N+](=O)[O-])nc2cc(Cl)ccc2c1=O 915790443 JWYABMAFEQYKIO-UHFFFAOYSA-N 437.880 4.426 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)COc1ccc(C2SCCCS2)cc1 917828789 ZPHPUXDGQACJPU-UHFFFAOYSA-N 434.539 4.167 5 20 IIBD O=C(CCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)Nc1ccc(Cl)cc1 918354962 YUPBNSOZUUUIPI-UHFFFAOYSA-N 444.919 4.387 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc(CNC(=O)c2cccs2)cc1 918536986 FTVDMUCARMXJCX-UHFFFAOYSA-N 440.477 4.342 5 20 IIBD COc1ccccc1CN(C[C@H]1CCCO1)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 918616134 UAAHIVFDDVAVDG-MRXNPFEDSA-N 449.301 4.187 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cnn(-c2ccccc2)c1C1CC1 919065636 JCJKIMZYVGGDJL-UHFFFAOYSA-N 431.408 4.065 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1 919524340 UMVCJBVGWQLMEV-UHFFFAOYSA-N 437.330 4.079 5 20 IIBD O=C(Nc1ccnc(Cc2ccccc2)n1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 1320559516 LNVDJORMGZCRIH-UHFFFAOYSA-N 432.358 4.169 5 20 IIBD Cc1c(I)cccc1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 1320817429 GAYHPJGXPMDZFW-UHFFFAOYSA-N 437.237 4.098 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(F)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 1322741316 VHHMRRJLEWAIBW-UHFFFAOYSA-N 429.401 4.021 5 20 IIBD Cc1coc(-c2cc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3N)ccc2C)n1 1322746421 ZQMKNZLRKUFMKF-UHFFFAOYSA-N 431.246 4.464 5 20 IIBD Cc1nc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CCC2)sc1C 1785749477 ACFSPRDBERWFDD-UHFFFAOYSA-N 440.481 4.323 5 20 IIBD C[C@H](Cc1ccco1)C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1 1785751495 GMMLEGWTNOWMGX-OAHLLOKOSA-N 437.452 4.407 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3F)CCC2)cc1)c1nccs1 1787517330 TXNDEJPQYQNNCG-UHFFFAOYSA-N 440.456 4.252 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC2(CCCN(C(=O)c3ccc(Cl)s3)C2)CC1 1808204137 XTHYEPDXIYRCIW-UHFFFAOYSA-N 437.905 4.061 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CCC2CCCC2)[nH]n1)c1ccc([N+](=O)[O-])o1 1814309734 HHOBQCLXYRPAFC-INIZCTEOSA-N 429.477 4.187 5 20 IIBD CC(C)[C@@H](C(=O)N1CCCC12CN(C(=O)CCc1cccc([N+](=O)[O-])c1)C2)c1ccccc1 1841404405 QTFLICJIHNUEPC-XMMPIXPASA-N 449.551 4.171 5 20 IIBD CCSc1ccccc1C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 9346845 DFTYVFQFOFCQRZ-UHFFFAOYSA-N 449.535 4.248 5 20 IIBD CCOC(=O)c1sc(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)cc1C 10084313 HJAXGDGWDFFKEA-UHFFFAOYSA-N 437.524 4.482 5 20 IIBD O=C(Nc1ccc(OS(=O)(=O)Cc2ccccc2)cc1)c1cc([N+](=O)[O-])ccc1Cl 14100555 BMDHEHKWBALIDZ-UHFFFAOYSA-N 446.868 4.409 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 15099180 FWYQDANQGQUYFA-UHFFFAOYSA-N 428.448 4.386 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1OC 19357884 SWYSCQXIVHAFRW-ZDUSSCGKSA-N 427.413 4.279 5 20 IIBD COc1cc(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 21181718 FVJXCCDGPHRCHD-UHFFFAOYSA-N 442.493 4.003 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(c2nc3ccccc3s2)CC1 26227644 XLHRWEMWLBBVNY-UHFFFAOYSA-N 440.525 4.421 5 20 IIBD COC(=O)[C@H](C)NC(=O)c1ccc(N[C@H](C)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 26774848 QNGHJXNCGGGAAF-NEPJUHHUSA-N 439.390 4.078 5 20 IIBD O=C(Nc1cccc(I)c1)c1cc([N+](=O)[O-])ccc1Br 45625396 NVZQDPNWRSVZLW-UHFFFAOYSA-N 447.026 4.214 5 20 IIBD COc1ccc(COc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1[N+](=O)[O-] 60803406 HDYARHOSOHZOBZ-UHFFFAOYSA-N 428.466 4.008 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC=C(c2c[nH]c3ncccc23)CC1 105619612 VGOSUMGDMLNIOR-UHFFFAOYSA-N 431.496 4.003 5 20 IIBD COc1ccc(CSCC(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)cc1[N+](=O)[O-] 105972043 NRFBCAMEQQFEFD-FQEVSTJZSA-N 428.514 4.226 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCNc1ncc(Cl)cc1Cl 107629346 WQKGXPVTHCZLGY-UHFFFAOYSA-N 441.318 4.085 5 20 IIBD C[C@@H](NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1)c1cccc([N+](=O)[O-])c1 108290248 VIXCWRTXYIPREJ-CQSZACIVSA-N 436.917 4.212 5 20 IIBD Cn1c(Sc2ncc([N+](=O)[O-])cc2Br)nnc1-c1cccc(Cl)c1 301734377 ZIAXRIPQBHJBHF-UHFFFAOYSA-N 426.683 4.352 5 20 IIBD O=C(N[C@H]1CCCC12CCOCC2)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 409792794 SNQWJCOPKZFIPE-INIZCTEOSA-N 439.299 4.166 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 409823519 RGCIRIGIMLCHBB-UHFFFAOYSA-N 439.415 4.481 5 20 IIBD Cc1sc(C(=O)Nc2nnc(-c3cc(Br)ccc3F)s2)cc1[N+](=O)[O-] 410013029 STUKPUQMDZGRGW-UHFFFAOYSA-N 443.279 4.637 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)N2CC3(CCCC3)C2)cc([N+](=O)[O-])c1C 428310222 NRUBTNKYCPGHKG-UHFFFAOYSA-N 443.525 4.029 5 20 IIBD C[C@H](CO)NC(=O)c1ccc(NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 428352609 RGFVOWUHNZHMAO-OAHLLOKOSA-N 439.443 4.249 5 20 IIBD C[C@H]1CN(Cc2ccccc2NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C[C@H](C)O1 432680624 SJODFOPNMWIAPP-IRXDYDNUSA-N 426.517 4.261 5 20 IIBD C[C@@H](CCO)CNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 434402628 HMOMIJWSDFAVSZ-YSKWHIJTSA-N 425.510 4.270 5 20 IIBD COCCOc1cccc(CC(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)c1 435147697 FVVFJTVCUGKBNB-UHFFFAOYSA-N 434.448 4.032 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCN(c2ccc(Cl)cc2)CC1 436302808 ARMRGLXTXVKNKI-UHFFFAOYSA-N 435.886 4.436 5 20 IIBD C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)Oc1ccccc1F 444096670 QIIKHLSMTKBMLQ-GFCCVEGCSA-N 426.394 4.296 5 20 IIBD COCCOc1cc(C)ccc1CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444230876 BTPSBXRIGLSULS-UHFFFAOYSA-N 434.467 4.084 5 20 IIBD CC(C)OC(=O)C[C@@H]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 444324179 MGKREWDGDMUCHA-AWEZNQCLSA-N 442.462 4.153 5 20 IIBD CCOc1ccc([C@H](C)NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1OC 444855523 IFSMIYBQBFIMNX-VIFPVBQESA-N 429.292 4.317 5 20 IIBD Cc1ccc(-c2nc(CCNC(=O)Cc3ccc([N+](=O)[O-])cc3Br)co2)cc1 446173726 WVFAMGUYBSWCHT-UHFFFAOYSA-N 444.285 4.222 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N(c2cnc3ccccc3c2)C(C)C)cc1OC 448459343 MVNUZHBXBCLVQA-UHFFFAOYSA-N 439.468 4.232 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1cc2c(cc1OC(F)F)OCO2 462599344 BAVYJDMZMAIQLK-AWEZNQCLSA-N 436.411 4.152 5 20 IIBD COc1ccc(O[C@@H](C)CNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 464158481 JRHNMRVPCRANDK-LBPRGKRZSA-N 444.431 4.298 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCOc2ccc(Br)cc21 468213736 APKQGESHBHVQNW-UHFFFAOYSA-N 449.304 4.343 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CCC(Cc2ccc(F)c(F)c2)CC1 470581146 IMCHZLYENNDPRM-UHFFFAOYSA-N 427.407 4.222 5 20 IIBD COCCC[C@H](Cc1ccccc1)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 471304106 MLAUFYVHHVVJMN-GOSISDBHSA-N 425.510 4.486 5 20 IIBD COc1cc(CCNC(=O)c2ccc(Cl)cc2Br)c([N+](=O)[O-])cc1OC 471486496 AKLBQUGCELOEAC-UHFFFAOYSA-N 443.681 4.000 5 20 IIBD COc1cc(CCNC(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])cc1OC 473997637 AXCKGHMOQSKBTN-JCNLHEQBSA-N 433.892 4.053 5 20 IIBD C[C@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccc(Br)cn1 477784175 POHUVCDMWHHJIB-VIFPVBQESA-N 448.195 4.184 5 20 IIBD C[C@H](CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(F)(F)F 477888753 HFNACBLWTCADJM-SECBINFHSA-N 433.433 4.061 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 478179554 KPZMETWNQIRHKU-WKPIXPDZSA-N 426.803 4.289 5 20 IIBD O=C1[C@@H](Cc2ccccc2)N(C2CC2)C(=O)N1Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 479195957 FQAGJEFYFVXBKG-GOSISDBHSA-N 433.386 4.152 5 20 IIBD CC(=O)Nc1sc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)nc1-c1ccccc1 479353632 ZQHCKFGZGWXVKM-UHFFFAOYSA-N 448.464 4.115 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@H]2CC[C@@H](c3ccccc3F)C2)ccc1[N+](=O)[O-] 482903870 TVKWFCAKWRIQSV-TVTNDZMWSA-N 439.487 4.099 5 20 IIBD CCOC(=O)C(C)(C)n1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cn1 483609537 VPKJGDSBYZTVOU-UHFFFAOYSA-N 438.440 4.134 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3c(Cl)ccc4c3CCO4)cc2)c(C)c1[N+](=O)[O-] 484593548 KPXFMCBGNCHVTH-UHFFFAOYSA-N 426.860 4.297 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CN1C(=O)[C@@H](c2cccs2)N(Cc2ccccc2)C1=O 485375062 RCEVWDWPVGKVBU-HXUWFJFHSA-N 437.477 4.371 5 20 IIBD C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 485394262 UTOLRVCBYLFQHD-CQSZACIVSA-N 429.473 4.397 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] 486237679 QICIWSSXGGJDRS-UHFFFAOYSA-N 441.503 4.200 5 20 IIBD O=C(NCc1ccc2c(c1)OCCCO2)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 486530195 KFNUCJVPVSWTKO-UHFFFAOYSA-N 434.448 4.265 5 20 IIBD Cc1sc(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)nc1-c1ccc(Cl)cc1 487713878 FASQWIVCUJBSBZ-UHFFFAOYSA-N 431.857 4.339 5 20 IIBD O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CCS[C@@H]2COCC[C@H]21 489021262 VPEWZAAIESEIHC-UYAOXDASSA-N 447.944 4.207 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C 490132847 MFLCAESJPFSFOK-DYVFJYSZSA-N 444.431 4.073 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)NCc2ccc(C)cc2)CC1 491186865 OSHMWEBPCYVNBC-UHFFFAOYSA-N 441.553 4.184 5 20 IIBD CCOc1ccc([C@@H](NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c2ccccc2)cc1 494719285 RQIHEIQLMNBTCF-QHCPKHFHSA-N 449.511 4.326 5 20 IIBD O=C(Nc1cc(Br)ccc1NC1CC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 495383382 DSDZBOBJQRGVBF-UHFFFAOYSA-N 442.273 4.370 5 20 IIBD CC(C)c1[nH]nc(C(=O)NCc2ccc(-n3cnc4ccccc43)cc2Cl)c1[N+](=O)[O-] 495952684 JAHWZLVIYOKRKJ-UHFFFAOYSA-N 438.875 4.364 5 20 IIBD CN(C)[C@@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1Cl 496389860 GZHBZKLEBTUTOI-SFHVURJKSA-N 430.917 4.404 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)cc1[N+](=O)[O-] 500361412 OFEFHDFIEXNYQH-DQMHSYKWSA-N 425.323 4.067 5 20 IIBD CC(C)c1nc([C@H]2COCCN2C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)no1 501922767 YBYVBBOVWDQALW-LJQANCHMSA-N 437.456 4.059 5 20 IIBD Cc1sc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)nc1-c1c[nH]c2ncccc12 503913650 XTVUISMJVLOFQZ-UHFFFAOYSA-N 445.464 4.341 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 504556788 WTQOGMOPJOMZTR-PXNSSMCTSA-N 449.479 4.077 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(-n2cccn2)cc1C(F)(F)F 505037881 GKJFEDNWSJEBET-UHFFFAOYSA-N 446.794 4.254 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H](OCc3ccncc3)C2)cc1 509071694 YDZNALFBJZCYJN-NRFANRHFSA-N 449.463 4.222 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc2ccc(Br)cn2n1 511333357 LXXTXKBVFQTEFT-VIFPVBQESA-N 439.653 4.064 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1OC 511680407 ILAOKZHCXLZDEB-NUEKZKHPSA-N 434.455 4.021 5 20 IIBD O=C(N[C@@H](C(=O)Nc1ccccc1)c1ccccc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 513664764 ZKCMRSWNFSQEIX-LJQANCHMSA-N 441.390 4.306 5 20 IIBD CCOc1cc(NC(=O)c2cnn(-c3ccccc3F)c2C)c([N+](=O)[O-])cc1OCC 514941592 JRXDLAMSLLXMIQ-UHFFFAOYSA-N 428.420 4.278 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)c([N+](=O)[O-])c1 518013245 FSUCQUFKOUKYFX-BBRMVZONSA-N 449.891 4.254 5 20 IIBD CC(C)C[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccs1 518184335 BJFRAIIPUNCVDF-ZDUSSCGKSA-N 427.429 4.100 5 20 IIBD C[C@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 519121861 RDICVEXHLMSFMO-BBATYDOGSA-N 437.315 4.335 5 20 IIBD CCc1c(-c2ccc(Br)cc2)n[nH]c1NC(=O)COc1ccccc1[N+](=O)[O-] 521154053 ORUIOVSDKZYRMV-UHFFFAOYSA-N 445.273 4.327 5 20 IIBD COc1cc(C(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)c([N+](=O)[O-])cc1OC(F)F 522040812 YHEUEZCLFJXKJM-HNNXBMFYSA-N 446.410 4.367 5 20 IIBD O=C(NCc1ccc(Br)c(F)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 522108260 UIGCDMFKHXZVKD-UHFFFAOYSA-N 436.281 4.029 5 20 IIBD COc1ccc(Br)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 522206855 IFLGBTGFJKNGCX-VIFPVBQESA-N 429.654 4.425 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 523356717 BNLRVPDSNWHXPQ-UHFFFAOYSA-N 446.261 4.078 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NC[C@@H]2CCN(C(C)C)C2)cc1[N+](=O)[O-] 523359371 LPVGFRUUTGLFQP-INIZCTEOSA-N 441.553 4.008 5 20 IIBD O=C(CCc1nc(-c2ccoc2)no1)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 523496885 XPGLROUNPYZXPF-UHFFFAOYSA-N 432.392 4.040 5 20 IIBD COc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2Br)cc1OC(F)F 523504917 XIRLUBNQBHUGGW-UHFFFAOYSA-N 445.216 4.240 5 20 IIBD O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1cc([N+](=O)[O-])cc2c1OCCO2 527017872 PPKGGEYJWHGALI-UHFFFAOYSA-N 434.273 4.239 5 20 IIBD CN(C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1)c1cccc([N+](=O)[O-])c1 533606566 DTJRIKUMDKVPKC-UHFFFAOYSA-N 435.465 4.191 5 20 IIBD CC(=O)N1CCCC[C@H]1C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 533760903 GVZONFPEIZFLAA-SFHVURJKSA-N 449.866 4.197 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CS(=O)(=O)Cc3coc(-c4ccccc4)n3)co2)cc1 534795663 JPMLYVWTWDULRM-UHFFFAOYSA-N 425.422 4.020 5 20 IIBD COc1cc(C(=O)N[C@H]2CCO[C@H]2C2CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 534815817 SKMANKKTNBSBAK-YWZLYKJASA-N 432.860 4.346 5 20 IIBD C[C@H](Nc1ccc(I)cc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 535132655 FMXGASCDZUMLDS-MGUXCZDKSA-N 430.267 4.110 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C2CCCCC2)[nH]n1 535704414 IRHSRHFTSYWWKB-UHFFFAOYSA-N 432.502 4.273 5 20 IIBD O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1cc(Br)cc([N+](=O)[O-])c1 538048796 FJXWJMJNLKGQDD-JKSUJKDBSA-N 443.656 4.410 5 20 IIBD Cc1nn(-c2ccc(Br)cc2)c(NC(=O)NCc2cccc([N+](=O)[O-])c2)c1C 539255277 BUNAABYEQGRANY-UHFFFAOYSA-N 444.289 4.482 5 20 IIBD CO[C@@H](c1ccccc1F)[C@H](C)Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl 539393299 UAEDWBHUDDKIFY-HXPMCKFVSA-N 432.839 4.121 5 20 IIBD Cc1cccc(Oc2cc(CNc3sc(S(C)(=O)=O)cc3[N+](=O)[O-])ccn2)c1C 539857907 BZNWHOCSGBXDPA-UHFFFAOYSA-N 433.511 4.476 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1CN1CCCC1=O 540449405 AVUVAHNYZPLLNZ-UHFFFAOYSA-N 427.526 4.148 5 20 IIBD Cc1cc(C)nc(N2CCN(C(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)CC2)n1 541178522 QACDKTZIIVQWPB-UHFFFAOYSA-N 448.483 4.148 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1I 541584041 WIKNDUBNLOALTD-JTQLQIEISA-N 428.201 4.389 5 20 IIBD O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)ccc1Cl 544484776 VIJOXDXSDJEQSE-UHFFFAOYSA-N 444.896 4.119 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 544626161 KBACXCYDIMNBDB-HXUWFJFHSA-N 435.415 4.421 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc(OCCN(C)C)cc2)no1 544983985 SECCOLIAMJYJAI-ZDUSSCGKSA-N 432.864 4.379 5 20 IIBD Cn1c(SCc2ncc(-c3ccc(Cl)cc3)o2)nc2cc([N+](=O)[O-])ccc2c1=O 546526834 NEFLOKDEMGZNAS-UHFFFAOYSA-N 428.857 4.442 5 20 IIBD C[C@@H](Nc1cnn(Cc2ccccc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 546527385 RGDFFIWNEOYCOK-CYBMUJFWSA-N 433.390 4.298 5 20 IIBD Cc1nc(-c2cccc(-c3noc(CCNC(=O)c4ccc([N+](=O)[O-])cc4)n3)c2)cs1 547109951 QXELYBGRNDIZJT-UHFFFAOYSA-N 435.465 4.049 5 20 IIBD COC(=O)CCN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1C 547230111 HZQJZCHXJNEJLK-UHFFFAOYSA-N 428.488 4.059 5 20 IIBD COC(=O)C(C)(C)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1 555852337 CGHJBUDBVVXCER-UHFFFAOYSA-N 435.274 4.369 5 20 IIBD Cc1ccc(Cl)cc1N1CC[C@@H](CN[C@H](c2ccc([N+](=O)[O-])cc2)c2nccn2C)C1 556874231 ZXUBKPKFQOPWRX-HTAPYJJXSA-N 439.947 4.496 5 20 IIBD Cc1noc([C@H]2CCCCN2C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 557763535 VHOXCOJWEMQDNL-GFCCVEGCSA-N 430.408 4.151 5 20 IIBD C[C@H](NC(=O)N(C)CCc1ccccc1[N+](=O)[O-])c1ccc(OCC(F)(F)F)cc1 557804733 RVHCDFJMARRMBY-AWEZNQCLSA-N 425.407 4.481 5 20 IIBD C[C@H](NC(=O)N[C@](C)(C(=O)O)c1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 562415853 QKAHGFXWVZMKMR-YPMLDQLKSA-N 426.256 4.262 5 20 IIBD Cn1cnc([N+](=O)[O-])c1-c1noc(C(C)(C)c2csc(-c3cc(F)ccc3F)n2)n1 563842407 PORVDERSUMXKJG-UHFFFAOYSA-N 432.412 4.106 5 20 IIBD O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)N1CCOc2ccc([N+](=O)[O-])cc2C1 570131637 PKWWZZXQXGJORU-MRXNPFEDSA-N 431.317 4.081 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2c2nc(Cc3ccc(F)cc3F)no2)ccc1[N+](=O)[O-] 573404133 DPDGKHMPEUVGOX-GOSISDBHSA-N 428.395 4.133 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccc(Br)cc2F)c([N+](=O)[O-])c1 576309707 BSBROEVUCITDKW-MNOVXSKESA-N 440.269 4.183 5 20 IIBD O=C1CSc2ccc(Nc3ncc([N+](=O)[O-])cc3Br)cc2N1CC(F)F 577640570 IJSXIPJVVZELLM-UHFFFAOYSA-N 445.245 4.200 5 20 IIBD Cc1ccccc1[C@H](c1noc(CSc2ccc(C(N)=O)cc2[N+](=O)[O-])n1)C(C)C 578937924 QWVKNIIQCPZTIY-LJQANCHMSA-N 426.498 4.465 5 20 IIBD CC1CCN(c2nnc(SCC(=O)c3ccc([N+](=O)[O-])cc3)n2Cc2ccco2)CC1 590698448 SGSBERUPAVGAHV-UHFFFAOYSA-N 441.513 4.039 5 20 IIBD O=C(N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)c1cc([N+](=O)[O-])c[nH]1 592953697 ZQJYNOSHFXXHBS-QGZVFWFLSA-N 429.358 4.337 5 20 IIBD C[C@@H](NC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1)c1cccc([N+](=O)[O-])c1 603966683 INFDXIDUPIAIKI-IVZQSRNASA-N 431.448 4.028 5 20 IIBD COc1ccc(CNC(=O)CCc2nc3ccccc3n2-c2ccccc2)cc1[N+](=O)[O-] 604017199 UYAFIPQIOJXIQK-UHFFFAOYSA-N 430.464 4.191 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)NC2(c3ccc(Br)cc3)CCCC2)cc1 604473088 GHQVJHZLNYGGGZ-UHFFFAOYSA-N 439.331 4.246 5 20 IIBD O=C(CCNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)Nc1ccccn1 608787636 SJYRKIGXTDIDLS-UHFFFAOYSA-N 440.843 4.194 5 20 IIBD COc1cccc(N2CC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)C2)c1 609106753 QJIQIBOCESCSPM-KRWDZBQOSA-N 433.464 4.404 5 20 IIBD CC(C)(C)c1ccc(S(=O)(=O)CCNCc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 609354107 MDDRPGNTXMAVSZ-UHFFFAOYSA-N 442.484 4.057 5 20 IIBD CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 609447269 HEJSIKOVZDBGLI-KKSFZXQISA-N 433.574 4.105 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCc2sccc2[C@@H]1c1cccs1 609640020 MIXJGXVFVUIDRY-LJQANCHMSA-N 429.523 4.454 5 20 IIBD CC(C)Cn1c(SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)nnc1-c1ccco1 609750035 UHCSUDQBZQYDEX-UHFFFAOYSA-N 443.485 4.193 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)cc([N+](=O)[O-])c1 609816085 JOPZWFRGXRLUAZ-UHFFFAOYSA-N 427.800 4.474 5 20 IIBD C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 609855394 NEGPJTKGQSMKDM-KUDFPVQQSA-N 443.525 4.189 5 20 IIBD CC1(C)CN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C(C)(C)CO1 609861279 XPMFYTARVBYJQB-UHFFFAOYSA-N 427.288 4.117 5 20 IIBD CC(C)(C(=O)Nc1cccc(NC(=O)CCN2CCCCC2)c1)c1ccc([N+](=O)[O-])cc1 610044455 VPCMONCNYUXTKU-UHFFFAOYSA-N 438.528 4.326 5 20 IIBD C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 610728950 XZWUFYXBIGMQQK-NEPJUHHUSA-N 436.295 4.166 5 20 IIBD COc1ccc(CNc2ccc(Cn3cncn3)cc2)cc1OCc1ccc([N+](=O)[O-])cc1 610910666 OMMZFPZAOROQHU-UHFFFAOYSA-N 445.479 4.434 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N(C)[C@H]3CCCc4c3cnn4C)cc2[N+](=O)[O-])n1 610977073 LFCPGELHZRVDIQ-HNNXBMFYSA-N 443.554 4.394 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl 611529735 DHWZWZLKUFMLOQ-FQEVSTJZSA-N 440.887 4.264 5 20 IIBD O=[N+]([O-])c1ccc2ncnc(NC[C@@H]3CCN(c4ccc(Br)cc4)C3)c2c1 611710825 YEXAGKIVPNJAIT-ZDUSSCGKSA-N 428.290 4.239 5 20 IIBD COc1ccc(COCCc2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)cc1 612956161 IQKLQZBSSKNZBQ-UHFFFAOYSA-N 448.273 4.099 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1CC[C@H](n2cncn2)C1 614439264 LFHONPHBWMIBDA-HNNXBMFYSA-N 429.889 4.078 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 725797646 DMYPEJWNPDBCRM-PMACEKPBSA-N 447.532 4.215 5 20 IIBD CCC[C@@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccccc1 725984207 FVFHXVXMHXIXPP-QGZVFWFLSA-N 435.274 4.172 5 20 IIBD Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 726543779 JPVCILYOVSMWLY-QGZVFWFLSA-N 442.947 4.413 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(CC[C@@H](O)c2ccccc2)c1 727361847 GMKOWFPBNVPMOQ-OAQYLSRUSA-N 426.494 4.370 5 20 IIBD C/C=C\c1ccc(OS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c(OC)c1 728578170 ZVXDDXHETJPUCC-ARJAWSKDSA-N 428.260 4.167 5 20 IIBD CN(C)CC1CCN([C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)CC1 729265543 HKAANOXVJVZBEK-NRFANRHFSA-N 430.936 4.202 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cnn(-c2cccc(Br)c2)c1 730169287 RLMTUAWWFBKIHY-UHFFFAOYSA-N 449.692 4.469 5 20 IIBD Cc1c(C(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 730757517 OJHZCYNAZHEBNG-CQSZACIVSA-N 433.392 4.069 5 20 IIBD O=C(NC[C@H](O)c1cccc(C(F)(F)F)c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 730836064 IBIQXNNDUNGIBA-INIZCTEOSA-N 437.399 4.201 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@H]1C[C@@H]1c1cccc(Br)c1 732030837 SYQNTEMAFUAGDO-OCCSQVGLSA-N 447.257 4.322 5 20 IIBD C[C@@H](OC(=O)c1cc(Cl)nc(N2CCCC2)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 733022143 NSBFOLAALZJCCH-GFCCVEGCSA-N 443.847 4.211 5 20 IIBD C[C@@H](CC(=O)O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(C(F)(F)F)cc1 733524371 SPSDBZRBLOORGD-UGSOOPFHSA-N 436.386 4.456 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)c1ccc([N+](=O)[O-])[nH]1 735480069 AJTCEXDILSKUBA-UHFFFAOYSA-N 434.767 4.346 5 20 IIBD Cc1nc2cc(F)cc(C(=O)OCc3ccc([N+](=O)[O-])cc3Br)c2nc1C 739579672 FWDMCINPPVNDJT-UHFFFAOYSA-N 434.221 4.413 5 20 IIBD CS[C@@H](C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 740359288 DQOWYFRWIXZAIN-MRXNPFEDSA-N 428.388 4.200 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](COC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 740570225 YBPDSMUKUUYSOX-CYBMUJFWSA-N 433.486 4.132 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2cccc(N[C@H](C)C(C)C)c2C)c([N+](=O)[O-])c1 741746462 FLIBFKVACYIMQX-OAHLLOKOSA-N 429.473 4.164 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCC(n2c(O)nc3ccccc32)CC1 742222500 VVXYMEHVBBRKBG-UHFFFAOYSA-N 449.511 4.118 5 20 IIBD Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1 742961293 YCDZJAHDSNZREN-UWJYYQICSA-N 427.457 4.326 5 20 IIBD O=C(Cc1cccc(O)c1)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 743266549 KUMPIDSAALETCS-NRFANRHFSA-N 440.839 4.420 5 20 IIBD COc1ccc(C(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1OC 747125049 RWOBNXZACCLIEE-SNVBAGLBSA-N 427.331 4.059 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(NS(=O)(=O)C(F)(F)F)c(C)c1 747348892 VIRQCLCNFZNPEU-UHFFFAOYSA-N 431.392 4.034 5 20 IIBD COCc1c(Br)cccc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 751161017 ZUSXJJLZZWQQFK-UHFFFAOYSA-N 438.234 4.281 5 20 IIBD CCOc1ccccc1OCCOC(=O)c1cc([N+](=O)[O-])c(Br)cc1F 751690392 KFVYNDODWCRJNQ-UHFFFAOYSA-N 428.210 4.131 5 20 IIBD COc1ccc(CSCC(=O)N2CCCCC[C@H]2C[C@@H](O)c2ccco2)cc1[N+](=O)[O-] 752109234 VWVOKRHNJKPSQO-PKOBYXMFSA-N 448.541 4.325 5 20 IIBD CC[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H](O)c1c(F)cccc1F 752644609 QTKOTYFQQMGRFG-MLGOLLRUSA-N 431.342 4.108 5 20 IIBD C/C(=C\C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1OC(F)F 753535692 BKVVOGYBYVEBBP-ZRDIBKRKSA-N 431.351 4.393 5 20 IIBD CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1cc(Br)ccc1F 753920460 CJFWZOIUJYMBQH-UHFFFAOYSA-N 428.233 4.096 5 20 IIBD COc1cc(F)c([C@@H](C)NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1OC 755022493 OGPQELBCMNFXFI-SECBINFHSA-N 442.241 4.396 5 20 IIBD O=C(OC[C@@H]1CC12CCOCC2)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 758023649 NEIJJKKHAKBWKB-NSHDSACASA-N 426.256 4.061 5 20 IIBD O=C(O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1cnc(OCc2ccccc2)cn1 759030502 XTBZCMMFJGWUIT-HSZRJFAPSA-N 442.431 4.305 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nnc3n2CCCCCC3)cc1 759676813 VLRFLVVJSIDJAL-UHFFFAOYSA-N 434.500 4.334 5 20 IIBD CCc1cc(C(=O)O[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)c(C)nn1 759731089 QUUADZWUIINNNJ-NRFANRHFSA-N 434.452 4.101 5 20 IIBD CN1CCC(N(C)[C@@H]2CCCC[C@@H]2N(C)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 762237177 IRECNJSWMFJPPE-MOPGFXCFSA-N 437.972 4.049 5 20 IIBD C[C@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccccc1OC(F)F 762989948 QAZLMBSIRUMUDW-NSHDSACASA-N 440.374 4.183 5 20 IIBD CCOC(=O)Nc1ccc(Br)cc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 764538450 PWQNYSUAMXARPF-UHFFFAOYSA-N 438.234 4.187 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@H]2c2cccc(F)c2)ccc1Br 765170392 OCDBQHRERIWRGI-HNNXBMFYSA-N 429.267 4.022 5 20 IIBD O=C(Nc1ccc(Cc2nnc3n2CCCCC3)cc1)c1ccc([N+](=O)[O-])c(Cl)c1 766753242 WCOPVBSOXFZZCR-UHFFFAOYSA-N 425.876 4.409 5 20 IIBD C[C@@H](SCC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 767218820 IEHPCYYXHIZXCB-CYBMUJFWSA-N 441.525 4.441 5 20 IIBD NC(=O)c1ccc(SCC(=O)OC2(c3ccc(C(F)(F)F)cc3)CC2)c([N+](=O)[O-])c1 767593970 UJXHFEFTCFTGHG-UHFFFAOYSA-N 440.399 4.037 5 20 IIBD CC(C)Cn1ncc(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1C1CC1 768655361 FKULKEXNQOWHLS-CYBMUJFWSA-N 425.445 4.293 5 20 IIBD COc1cc(C(=O)Oc2c(Br)cccc2OC)c([N+](=O)[O-])cc1OC(F)F 769717949 LMBZBPJIFHYEMU-UHFFFAOYSA-N 448.172 4.195 5 20 IIBD COc1cccc(NC(=O)c2ccccc2NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)c1 770056326 YJJVYYWIAXITSF-UHFFFAOYSA-N 427.363 4.386 5 20 IIBD CCc1c(C(=O)OCC(=O)Nc2c(C)cccc2[N+](=O)[O-])cnn1-c1ccc(Cl)cc1 770561632 OEHCVWNIMVEDEJ-UHFFFAOYSA-N 442.859 4.100 5 20 IIBD CC[C@H](C)c1ccc(NC(=O)Cc2noc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1 771059336 MCQMEUXEYYSVFZ-LBPRGKRZSA-N 425.401 4.248 5 20 IIBD O=C(NCCCN1CCCCC1)C1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 772011927 AIUSNIIDLBRBLQ-UHFFFAOYSA-N 443.375 4.110 5 20 IIBD O=Cc1ccc(OCC(=O)Nc2ccc(Br)c3ccccc23)c([N+](=O)[O-])c1 773759754 JEDZKAFDHDUASJ-UHFFFAOYSA-N 429.226 4.341 5 20 IIBD O=C(NOC1CCOCC1)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 775247688 LUSFUMIBCGGJMT-UHFFFAOYSA-N 431.495 4.196 5 20 IIBD Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1 778911414 SNIPFWOZHJHAJV-NRFANRHFSA-N 434.448 4.008 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 781203980 SXRMZMVDOYYRDK-OAHLLOKOSA-N 438.280 4.134 5 20 IIBD O=C(Nc1ccccc1)Nc1ccc(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cc1 781595116 MKANPNXAQZTQDQ-NRFANRHFSA-N 445.435 4.371 5 20 IIBD O=[N+]([O-])c1cc(CN[C@@H](CCO)c2ccccc2Br)ccc1Br 781639340 QSMUHHZRAYMDBA-HNNXBMFYSA-N 444.123 4.333 5 20 IIBD CC1=C(C(=O)N(C)C)[C@@H](c2ccc([N+](=O)[O-])s2)NC(=S)N1c1ccc(C)c(C)c1 782246368 SSEHEXMMYDAZLP-GOSISDBHSA-N 430.555 4.071 5 20 IIBD C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 782535403 GAKMJCRAFFBMMF-AAEUAGOBSA-N 445.829 4.128 5 20 IIBD O=C(Cc1ccnc(O)c1Br)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 783030503 XWIAVPWFZWAWEO-UHFFFAOYSA-N 440.681 4.097 5 20 IIBD C[C@H]1C[C@H](C(=O)Oc2ccc(Cl)cc2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CO1 784124228 ZJCIDSVDLLANKL-QWRGUYRKSA-N 439.251 4.484 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)OCc1ccc(Br)c2cccnc12 785260257 MASLBMVAWLVWJN-UHFFFAOYSA-N 435.205 4.167 5 20 IIBD Cc1cc(CC(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)no1 785963275 CJFFYLFSQVQSRJ-IBGZPJMESA-N 429.816 4.010 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCC1CCN(Cc2cccs2)CC1 790598790 PNANGUMLSPLLRQ-UHFFFAOYSA-N 425.913 4.020 5 20 IIBD C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 790608391 GKQSFLINSCXACN-VXZGYFJVSA-N 434.496 4.013 5 20 IIBD CCC(=O)c1cc(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)ccc1F 791244366 JHOIQHIWFMRBRB-UHFFFAOYSA-N 435.249 4.288 5 20 IIBD Cc1cccc(Cl)c1NC(=O)CN1CCc2c(Br)ccc([N+](=O)[O-])c2C1 792896241 FKKCFBXXNGDIQS-UHFFFAOYSA-N 438.709 4.316 5 20 IIBD COc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)Cc3ccccc32)cccc1[N+](=O)[O-] 793386429 PXCPPTPFNNWFKJ-UHFFFAOYSA-N 427.457 4.001 5 20 IIBD CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 793488748 PJBQCSIMBOOCEU-HNNXBMFYSA-N 445.438 4.131 5 20 IIBD O=C(N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F)C(F)(F)c1ccc([N+](=O)[O-])cc1 794343017 ALKNNUUOBGHAMJ-CQSZACIVSA-N 438.736 4.209 5 20 IIBD CC(C)(C)OC(=O)NCc1ccc(OS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 796039172 VDODYLODEIELTL-UHFFFAOYSA-N 442.877 4.041 5 20 IIBD CC(C)(C(=O)OCC(=O)Nc1ccc(N2CCCCCC2)cc1)c1ccccc1[N+](=O)[O-] 796439846 MWFHKLWNZFBHHJ-UHFFFAOYSA-N 439.512 4.435 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)O[C@H]1CCCC12CCOCC2 802253232 UFCOYEOWGWXTBU-HNNXBMFYSA-N 445.253 4.014 5 20 IIBD C[C@@H](OC(=O)c1cscc1Br)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 803772366 IAKXBXBOKPSOLF-SSDOTTSWSA-N 433.667 4.256 5 20 IIBD CCN(Cc1noc(-c2cc([N+](=O)[O-])ccc2N2CCCCC2)n1)C(=O)OC(C)(C)C 809380675 GWRUUEJQVXZVAQ-UHFFFAOYSA-N 431.493 4.392 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3ccnc(C(F)(F)F)c3)n2)c(Br)c1 809426458 MPRUTHJEGPCBDT-UHFFFAOYSA-N 429.152 4.412 5 20 IIBD CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])n1 813034191 CLMOIHHKLCJJDY-JTQLQIEISA-N 431.276 4.290 5 20 IIBD Cc1cc(I)ccc1NC(=O)COc1cccc(Cl)c1[N+](=O)[O-] 814775736 UXJHEPUDSKVIMQ-UHFFFAOYSA-N 446.628 4.179 5 20 IIBD CCOC(=O)c1cc(COC)cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 817013042 UHCLVZWZKAICNR-UHFFFAOYSA-N 441.484 4.161 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 820509610 HMQPDWRPYUWHFI-FLIBITNWSA-N 434.521 4.076 5 20 IIBD CC(=O)N1CCN(c2cccc(NCc3cc([N+](=O)[O-])ccc3C(F)(F)F)c2C)C1=O 864027701 OYRAVCDURKHHIF-UHFFFAOYSA-N 436.390 4.323 5 20 IIBD C[C@@H](OC(=O)c1ccccc1C(=O)c1ccc(F)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 900678691 WSOJMUPONJUJTD-CQSZACIVSA-N 436.395 4.149 5 20 IIBD CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)sc2ccccc12 914842169 FKQPGLDDFIYADT-UHFFFAOYSA-N 429.410 4.455 5 20 IIBD C[C@H](OC(=O)c1nc(-c2ccccc2)n2c1CCCCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 914916714 ZUBPKZDAVYDUJH-INIZCTEOSA-N 448.479 4.369 5 20 IIBD CCOC(=O)C[C@@H](c1ccccc1)C1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 917092178 PQMPWYLBQSJIJP-IBGZPJMESA-N 427.457 4.456 5 20 IIBD CCc1cccc(Oc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cn2)c1 917747661 YTKDWYYHRDYHHX-UHFFFAOYSA-N 444.425 4.054 5 20 IIBD CN(C(=O)c1ccccc1NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)C1CCCCC1 918039835 JXYAGXSOKITEKU-UHFFFAOYSA-N 439.516 4.233 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)Cc1c(C)nn(-c2ccc(F)cc2)c1C 918538725 PQIUNNVXMUMRNQ-UHFFFAOYSA-N 427.432 4.221 5 20 IIBD Cc1cc(C(=O)OCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1 920906238 SUQMUZCQHRZREH-QFIPXVFZSA-N 436.489 4.296 5 20 IIBD O=C(NC1CC1)c1ccc(CN(Cc2ccco2)C(=O)c2cc([N+](=O)[O-])ccc2F)cc1 921160692 JAZMMKPTHIPSFR-UHFFFAOYSA-N 437.427 4.062 5 20 IIBD Cc1cccc(CN2CCCC[C@H]2C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 1323350507 KWPJDKOLYILOML-GCJKJVERSA-N 439.512 4.137 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1CC[C@H]2OCCC[C@H]2C1 1324060416 MAEQJBHLMJIDPH-DQLDELGASA-N 429.904 4.429 5 20 IIBD O=C(Cc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]3F)CCC2)cc1 1786116127 YTHYGWIYJULKEP-ROUUACIJSA-N 445.878 4.283 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccc(C2(NC(=O)[C@@H]3CCCS3)CCC2)cc1 1786208046 HOZDYJBGLJQXKB-LNENJAERSA-N 441.509 4.231 5 20 IIBD O=C(CCCC(F)(F)F)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1 1786622805 LPMZTEOMCUOULW-UHFFFAOYSA-N 438.406 4.403 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)Cc4cccc([N+](=O)[O-])c4)CCC3)cc2)cn1C 1788794205 SNKSBHRHCRLJCS-UHFFFAOYSA-N 446.507 4.232 5 20 IIBD CC1(C)CCC(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C3)CC1 1800234297 BJVGPFGRDNEIFF-REPLKXPHSA-N 443.544 4.159 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC([C@@H]2CCCCN2C(=O)C2CCCC2)CC1 1826255551 DTOHWHCXYPOVQW-NRFANRHFSA-N 431.508 4.157 5 20 IIBD Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC2)o1 1830612697 IRYYELXGHKSMGM-FQEVSTJZSA-N 443.475 4.182 5 20 IIBD CCC[C@H]1CC[C@H](C(=O)N2CCCC23CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C3)CC1 1846077576 UTROLFYXEVZWAI-QAQDUYKDSA-N 431.508 4.157 5 20 IIBD CCCn1c(S[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nc2cc(Cl)ccc2c1=O 9398863 UGHXBXLBRKRRJM-GFCCVEGCSA-N 446.916 4.487 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)OCC(=O)N1c2ccccc2Sc2ccccc21 9608227 IVMJIMIHIRQPGD-UHFFFAOYSA-N 436.445 4.346 5 20 IIBD O=C(OCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1)c1ccc([N+](=O)[O-])cc1 10646917 XAXDGISMUGCJHF-INIZCTEOSA-N 441.490 4.253 5 20 IIBD O=C(COC(=O)COc1ccccc1[N+](=O)[O-])Nc1cc(Cl)c(Cl)cc1Cl 11113464 RKPCLDHJQCITPY-UHFFFAOYSA-N 433.631 4.116 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1 11582909 UERFKURUYMABAQ-UHFFFAOYSA-N 432.860 4.251 5 20 IIBD C[C@@H](Sc1nnc(-c2ccccc2F)n1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 17655597 QOHCJSGCEWBYEE-LLVKDONJSA-N 426.433 4.433 5 20 IIBD Cn1cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c2ccccc21 20935081 IUIVPPGFLPDUPX-UHFFFAOYSA-N 432.402 4.068 5 20 IIBD COc1ccc(NC(=O)CSc2nccn2-c2cccc(Cl)c2C)c([N+](=O)[O-])c1 21533507 IOGJGKLFNPATDA-UHFFFAOYSA-N 432.889 4.482 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 21840767 ONKUHWSCXIJTIU-HXUWFJFHSA-N 444.896 4.171 5 20 IIBD C[C@@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1c(F)c(F)c(F)c(F)c1F 22548007 FGMFYHUELFXPGW-RXMQYKEDSA-N 438.692 4.128 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1[N+](=O)[O-] 25742338 VMENKUWUSMZPLX-UHFFFAOYSA-N 427.476 4.066 5 20 IIBD C[C@@H]1Oc2ccc(NC(=O)c3ccc(N4C[C@H](C)C[C@@H](C)C4)c([N+](=O)[O-])c3)cc2NC1=O 27017674 PHYBEBZJFLTUOM-KFWWJZLASA-N 438.484 4.049 5 20 IIBD C[C@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)Nc1ccc(Br)cc1 28670245 LTRNUHYZAZZTJB-VIFPVBQESA-N 427.638 4.195 5 20 IIBD CC(=O)Nc1cccc(CNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c1 32358829 WSZKEQBMWDNUMZ-UHFFFAOYSA-N 442.522 4.399 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 32442328 RLLPESIRAAYEPV-MRXNPFEDSA-N 439.493 4.195 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccnn1Cc1ccccc1Br 57842448 YBUUNUCOWLKJTQ-UHFFFAOYSA-N 447.314 4.333 5 20 IIBD CCCOc1cc(NC(=O)[C@@H]2COc3cc(OC)ccc3C2)c([N+](=O)[O-])cc1OCCC 64385858 IHCMOTWVYHWWJU-INIZCTEOSA-N 444.484 4.371 5 20 IIBD CCOC(=O)c1csc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1 64679695 VSZLACIINICOFQ-GFCCVEGCSA-N 441.469 4.048 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1ccccc1Br 69056992 FFXJDOXCRXZAGJ-NSHDSACASA-N 426.698 4.470 5 20 IIBD CCc1cc(NCc2cccc(CN3CCCC3=O)c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 72018826 MSMDGHUSRXMMRZ-UHFFFAOYSA-N 431.496 4.349 5 20 IIBD Cc1ccccc1-c1nnc(SCc2ccc(C(N)=O)cc2[N+](=O)[O-])n1Cc1ccco1 96983167 VKYOUKWDPDSBFX-UHFFFAOYSA-N 449.492 4.194 5 20 IIBD COC(=O)C[C@H](NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccs1 105564902 RNPNBMPDVPAXNK-NSHDSACASA-N 448.444 4.188 5 20 IIBD Cc1ccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(OC[C@H]2CCCO2)c1 237880034 OBXIKJFKXQXANO-JOCHJYFZSA-N 436.512 4.151 5 20 IIBD C[C@H](COc1cccc(F)c1)NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 410087363 IBBCANCDKFUQGQ-HZPDHXFCSA-N 438.459 4.499 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(-c2noc(C(C)(C)c3ccccc3[N+](=O)[O-])n2)cc1 426414148 WICLKEIKRCGCCJ-UHFFFAOYSA-N 444.513 4.001 5 20 IIBD C[C@@H](NC(=O)Nc1ccnn1Cc1ccccc1Br)c1cccc([N+](=O)[O-])c1 429531188 WRLXGOMRZVXLDX-CYBMUJFWSA-N 444.289 4.485 5 20 IIBD C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CC[S@@]1=O 430352004 CXUGXUBJCDCXIF-QYSRSOONSA-N 438.958 4.383 5 20 IIBD Cc1cc(F)ccc1N1CCC[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 430618114 RDLXJQXMIIWXPG-HNNXBMFYSA-N 436.281 4.204 5 20 IIBD CC(C)N(Cc1nc(O)c2ccccc2n1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 436143498 JQYJPMMIGLVYOK-UHFFFAOYSA-N 438.487 4.381 5 20 IIBD O=C(Nc1ccccc1COc1ccccc1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 437066972 AZRKPKKKXIHQHB-UHFFFAOYSA-N 445.475 4.304 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CS(=O)(=O)Cc1cc(Br)ccc1Cl 437249556 JTYNZBRVVQIZMF-UHFFFAOYSA-N 434.695 4.134 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1ccccc1F)C1CCCCC1 439625317 ZGIHMMRBUHRUKQ-UHFFFAOYSA-N 429.448 4.043 5 20 IIBD COc1cc(OC)cc(OCCCN(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 440755186 NBLVAVAWJDEWCK-UHFFFAOYSA-N 430.482 4.368 5 20 IIBD O=C(NCC(=O)N1CCCCC[C@@H]1/C=C/c1ccccc1)c1c(Cl)cccc1[N+](=O)[O-] 440863578 CFQJHIYVMYARIM-KAUXGEHWSA-N 441.915 4.463 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc(OCC(F)F)cn2)no1 442668450 AOYIMODARZTGNP-VIFPVBQESA-N 426.763 4.477 5 20 IIBD COc1cccc(O[C@@H](C)CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1 444079146 FPILEMXHSPRMEY-ZDUSSCGKSA-N 438.430 4.165 5 20 IIBD Cn1c(-c2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)no2)ccc1[N+](=O)[O-] 445808588 SFIQUYPWXOYHNN-UHFFFAOYSA-N 437.256 4.005 5 20 IIBD CC(C)(CNC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc(C(F)(F)F)cc1 446899284 QEIFHLQDNIGFFC-UHFFFAOYSA-N 435.406 4.267 5 20 IIBD CCCN(C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)[C@H]1C[C@@H](OCC)C12CCCC2 446905328 GUEULWZDXMWYLX-RBUKOAKNSA-N 429.521 4.131 5 20 IIBD Cn1ccc([C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c2ccc(Cl)cc2)n1 460233509 VTZPOEGERKFOCJ-OAQYLSRUSA-N 439.903 4.445 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N(c1ccccc1F)C1CCCC1 461550082 YWKVACSPUCTSMC-UHFFFAOYSA-N 427.432 4.398 5 20 IIBD COc1cc(C(=O)Nc2cc3c(cn2)CCCC3)c([N+](=O)[O-])cc1OCc1cscn1 462962697 BDAXGQGZGJLEND-UHFFFAOYSA-N 440.481 4.165 5 20 IIBD C[C@H](c1ccsc1)N1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 463031861 GKPGIBPMJKWQGH-CQSZACIVSA-N 428.539 4.299 5 20 IIBD Cc1cc(NC(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)n(-c2ccc([N+](=O)[O-])cc2)n1 463557423 YSQDKGPFDWBIBG-UHFFFAOYSA-N 439.447 4.465 5 20 IIBD NC(=O)[C@@H](NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccc(F)cc1 463748774 LDCIETVQFVCAEF-FQEVSTJZSA-N 429.835 4.496 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@@H]1c1cc2c(cc1OCC)C[C@@H](C)O2 466497836 VYXCPPDULPMLNJ-MZMPZRCHSA-N 426.469 4.458 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)Nc1ccccc1I 467103291 TUNGYBKNVCMSBH-UHFFFAOYSA-N 431.617 4.175 5 20 IIBD CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)cc21 467170044 GEEPDUMZZYOAJX-UHFFFAOYSA-N 446.891 4.341 5 20 IIBD CC(C)CCOc1ccc(NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 467397606 YFIQSYLUOOJVLS-UHFFFAOYSA-N 440.500 4.010 5 20 IIBD CCn1c2ccccc2c2cc(NC(=O)C(=O)NCCc3ccccc3[N+](=O)[O-])ccc21 467989926 YUEXMYIUEQJAMD-UHFFFAOYSA-N 430.464 4.020 5 20 IIBD COc1ccc(NC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)cc1[N+](=O)[O-] 469685435 WBPBQPLPYCSLON-INIZCTEOSA-N 426.395 4.047 5 20 IIBD COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 470018340 NUSKFWLRWLTSMB-HXUWFJFHSA-N 449.385 4.056 5 20 IIBD COc1ccc2c(c1)CN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)[C@H](C1CCCCC1)C2 470166715 XCADHILNPZEUJP-QFIPXVFZSA-N 440.544 4.341 5 20 IIBD COc1cc(C(=O)N[C@H](c2ccc(C)cc2)c2ccccn2)c([N+](=O)[O-])cc1OC(F)F 471379598 KRXSDAFJZQOSIM-HXUWFJFHSA-N 443.406 4.428 5 20 IIBD Cc1noc(-c2ccccc2)c1NC(=O)c1ccc([N+](=O)[O-])cc1I 472014244 WHUCABAUVGZMRO-UHFFFAOYSA-N 449.204 4.415 5 20 IIBD CC(=O)CC(C)(C)CC(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 472790157 RFAHOTBAPDBUPC-UHFFFAOYSA-N 443.569 4.363 5 20 IIBD COc1ccc(-n2c(C)nnc2S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 477042866 YRHTWJZRSFWZAJ-LLVKDONJSA-N 447.904 4.265 5 20 IIBD Cc1cccc(C(=O)N[C@H](C)CCc2ccc(I)cc2)c1[N+](=O)[O-] 477691942 GTWJFYWQSGZADN-CYBMUJFWSA-N 438.265 4.259 5 20 IIBD CCOC1(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)CCCC1 481164993 PJLPCWCCQHWLNG-UHFFFAOYSA-N 449.554 4.212 5 20 IIBD Cc1ccc(C(=O)N[C@@H](CC(=O)NCc2cccc([N+](=O)[O-])c2C)c2ccccc2)cc1 481466567 NBPCKFZESIEGRC-QFIPXVFZSA-N 431.492 4.389 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 482411396 VFEAAUJDTSOORE-OAHLLOKOSA-N 433.333 4.342 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1N1CCCCC1 482878692 IREKFLCFJQKTCY-UHFFFAOYSA-N 429.542 4.254 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 485304806 RQTKIGNDMKWQPR-UHFFFAOYSA-N 431.514 4.164 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CSc1nnc(CN2CCCC2)n1-c1ccccc1 485364318 HQTTVTLHOQBYIT-UHFFFAOYSA-N 425.514 4.072 5 20 IIBD COC(=O)c1cc(NC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)c(C)c([N+](=O)[O-])c1 485973904 DBJMZXBTQGXBTM-HUUCEWRRSA-N 433.258 4.195 5 20 IIBD CN(Cc1ccccc1)C(=O)CNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 487461623 JJYBDSUALYNVIO-UHFFFAOYSA-N 435.505 4.134 5 20 IIBD CCCCN(C(=O)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C)[C@@H](C)c1ccccc1 487809626 YZNLURPBRALOBH-INIZCTEOSA-N 441.484 4.018 5 20 IIBD Cc1ccnc(-n2nc(C)cc2NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 488193511 CHGPZSAVXLLIHA-UHFFFAOYSA-N 434.500 4.281 5 20 IIBD Cc1c(NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)cccc1[N+](=O)[O-] 488231493 LOFICDJGGMGCNW-OAHLLOKOSA-N 440.905 4.305 5 20 IIBD CN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(C)(C)c1ccc2c(c1)OCO2 491510790 YFWJEOCGQHHJEH-UHFFFAOYSA-N 428.488 4.277 5 20 IIBD COc1cc(CN[C@H]2CCCN(c3ccccc3F)C2)c([N+](=O)[O-])cc1OCC(F)F 493712221 YMTSHJJNWKMQSW-HNNXBMFYSA-N 439.434 4.145 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCc3ncc(-c4ccccc4)[nH]3)cc2[N+](=O)[O-])C1 497527156 QOOLLJXHFZQYNL-IRXDYDNUSA-N 433.512 4.397 5 20 IIBD COc1cc(CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C2CC2)ccc1OC(F)F 498333197 NCXZKQOKTYMNFE-UHFFFAOYSA-N 445.422 4.351 5 20 IIBD CCn1c2ccccc2c2cc(NC(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)ccc21 498343223 AXSDCLJNNNALCD-UHFFFAOYSA-N 445.479 4.161 5 20 IIBD Cc1ccc(C[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 499240108 TZBHNZNVKIOSGR-JTHBVZDNSA-N 435.524 4.050 5 20 IIBD CC[C@@](C)(NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1)C(=O)OC 500270865 VYMLSYNGBYVLPA-HXUWFJFHSA-N 436.848 4.121 5 20 IIBD COc1cc(C(=O)Nc2c(C)cccc2-c2nc(C(C)C)no2)c([N+](=O)[O-])cc1OC 505432183 GJJCQQMBGZGKKE-UHFFFAOYSA-N 426.429 4.346 5 20 IIBD O=[N+]([O-])c1ccccc1N1CCN(Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 505570934 RJYCJDDWLDSEBT-UHFFFAOYSA-N 440.507 4.165 5 20 IIBD C[C@H](NC(=O)CSc1ccccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccncc2)cc1 505959105 MRLQVYDENXGANG-HNNXBMFYSA-N 436.493 4.212 5 20 IIBD O=C(NC1CCN(Cc2coc(-c3ccccc3)n2)CC1)c1ccc([N+](=O)[O-])cc1Cl 506104461 IINVGTSPAVHOOQ-UHFFFAOYSA-N 440.887 4.298 5 20 IIBD COc1cc(C)c(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)cc1F 509322041 GPVAMAGEERMKJR-UHFFFAOYSA-N 444.200 4.216 5 20 IIBD COc1ccccc1Oc1ccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1F 510227017 GNQWRHPSHJXWQH-UHFFFAOYSA-N 449.398 4.368 5 20 IIBD CSc1cc2c(cc1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)OCCO2 510590093 WKQIGYLHPVCHEE-UHFFFAOYSA-N 439.287 4.411 5 20 IIBD COc1cc(F)c([C@H](C)NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC 510725344 IGDRLUZYBDBTKX-NSHDSACASA-N 431.445 4.366 5 20 IIBD O=C(c1cc2ccccc2[nH]1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 512736658 VCPBOTIPAKFRQK-UHFFFAOYSA-N 430.464 4.294 5 20 IIBD CCOc1cc(C(=O)N2CCCC[C@H]2c2nc3ccccc3n2C)c([N+](=O)[O-])cc1OC 515585001 LNXPEGMBPFMJFH-SFHVURJKSA-N 438.484 4.256 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1cccc(COc2cccc(F)c2)c1)c1cccc([N+](=O)[O-])c1 516047257 ATERUVPWUZRRFA-OAHLLOKOSA-N 437.427 4.129 5 20 IIBD COCCCOC1CCN([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC1 517022721 AAQIXTAPGZVBBQ-HSZRJFAPSA-N 441.528 4.101 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])NCCOc1ccc2cc(Br)ccc2c1 518650338 NUKBZRCGMABTAL-UHFFFAOYSA-N 445.269 4.085 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCc1ccc(Oc2cccc(F)c2)nc1 521424131 ZVDMBIZDZQLIIN-UHFFFAOYSA-N 437.836 4.053 5 20 IIBD O=[N+]([O-])c1cc2c(c(C[S@@](=O)Cc3csc(-c4ccccc4F)n3)c1)OCOC2 521585643 FHZRICCBGWMTSI-GDLZYMKVSA-N 434.470 4.173 5 20 IIBD Cc1ccccc1CN1CCC(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 523978972 ZBBDLAQQKYNTNF-UHFFFAOYSA-N 431.920 4.106 5 20 IIBD C[C@@H](NC[C@]1(N2CCOCC2)CCSC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 531695227 QAFIDXVWKLUMJM-IIBYNOLFSA-N 433.599 4.182 5 20 IIBD O=C(O)c1cc(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)cc([N+](=O)[O-])c1 532260002 PDBQPMNPTDJEDR-FQEVSTJZSA-N 429.432 4.336 5 20 IIBD COc1cc(CNc2ccc(-n3ccnn3)cc2)c([N+](=O)[O-])cc1OCc1ccccc1 532728748 YMEYSHHEOWOXDG-UHFFFAOYSA-N 431.452 4.375 5 20 IIBD CCOc1ccc(NC(=O)CSc2nnc(C)n2[C@@H]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 533886781 YFVYEDHHUBWRBP-DZGCQCFKSA-N 433.534 4.375 5 20 IIBD COc1ccc(CC(=O)NCc2ccc(C(=O)Nc3ccc([N+](=O)[O-])c(C)c3)cc2)cc1 537452649 VKSRNQYOVNWLJM-UHFFFAOYSA-N 433.464 4.023 5 20 IIBD COc1cc(CN2CCC[C@@H]2Cn2cnc3ccccc32)c([N+](=O)[O-])cc1OC(F)F 537681859 ZXUYTRFZQGIPMQ-OAHLLOKOSA-N 432.427 4.219 5 20 IIBD O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1cc(Br)cc([N+](=O)[O-])c1 538048791 FJXWJMJNLKGQDD-CVEARBPZSA-N 443.656 4.410 5 20 IIBD Cc1nc(-c2ccsc2)ccc1C(=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc12 539045668 DWSBPIGFMJHAQY-UHFFFAOYSA-N 448.508 4.202 5 20 IIBD CCOc1cc(C(=O)Nc2cc(C)n(-c3ccccc3Cl)n2)c([N+](=O)[O-])cc1OC 539652182 MIWWTWBHSXJQNK-UHFFFAOYSA-N 430.848 4.402 5 20 IIBD C[C@H]1CCCCN1CCC1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 539862924 NVHUFOQSWFUMAA-IBGZPJMESA-N 425.577 4.472 5 20 IIBD COc1ccccc1-n1ncc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1C 540601586 NCCUHCUYLGUPJH-UHFFFAOYSA-N 435.465 4.473 5 20 IIBD O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1 541282959 RAZANOISTBHPRP-FXAWDEMLSA-N 442.903 4.215 5 20 IIBD COC(=O)c1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c(OCC(F)(F)F)c1 541605221 JPSLJOKXWXPEFL-SNVBAGLBSA-N 444.337 4.204 5 20 IIBD Cc1ccc(-c2noc([C@H](C)NCCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2)cc1F 541684013 DWAFAARCRUIUHM-AWEZNQCLSA-N 427.436 4.080 5 20 IIBD COc1cc(NC(=O)CCn2cc(-c3ccccc3[N+](=O)[O-])cn2)c(OC)cc1Cl 542189603 OFYMSLWVRDRSAM-UHFFFAOYSA-N 430.848 4.158 5 20 IIBD Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 543853514 ALZYHYLNGJRKKG-UHFFFAOYSA-N 437.403 4.234 5 20 IIBD CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F 544401225 FZPOMHBXKQJLFG-NSHDSACASA-N 441.381 4.132 5 20 IIBD CCc1ccc([C@H](Nc2cccc3c2CCN3C(=O)COC)c2ccc([N+](=O)[O-])cc2)o1 544572482 LHAWMTLZSFHVAO-XMMPIXPASA-N 435.480 4.487 5 20 IIBD COc1ccc(-c2ccc(CN3CCC([C@](C)(O)C(F)(F)F)CC3)o2)c([N+](=O)[O-])c1 545952247 KBCRQSZCBQFXEP-IBGZPJMESA-N 428.407 4.389 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)NCc1ccc(-c2nc3ccccc3s2)o1 546800017 BRJMREHSCOYEKJ-UHFFFAOYSA-N 429.479 4.084 5 20 IIBD COc1cc(Cc2noc(C3(c4cccc(Cl)c4)CCOCC3)n2)ccc1[N+](=O)[O-] 547174373 XVWQYXKBLCXODW-UHFFFAOYSA-N 429.860 4.327 5 20 IIBD COc1ccc(-c2nsc(NC(=O)c3cc([N+](=O)[O-])cc(Br)c3C)n2)cc1 550312724 SSQGESRYUJAWBL-UHFFFAOYSA-N 449.286 4.445 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 565628613 ZKHULXSYEAKKCH-HOTGVXAUSA-N 445.469 4.168 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(OCC(F)(F)F)c(OC)c1 566826059 HFQZUIUZQLIGFK-UHFFFAOYSA-N 427.379 4.429 5 20 IIBD O=c1c2ccccc2[nH]c2ccc(-c3nc(-c4ccc(Cn5cncn5)c(F)c4)no3)cc12 567024576 RQZABEPJAHSRHS-UHFFFAOYSA-N 438.422 4.177 5 20 IIBD O=[N+]([O-])c1ccccc1-n1ccc(-c2nc(-c3ccc(OC4CCOCC4)cc3)no2)n1 568338633 SZXDEBSMRAZGDM-UHFFFAOYSA-N 433.424 4.055 5 20 IIBD C[C@H](CC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)c1ccccc1C(F)(F)F 573715503 GNHKJUHVUUZOIU-OAHLLOKOSA-N 449.429 4.092 5 20 IIBD CC(=O)N[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1cccs1 590646579 PFFUHCNIRFBYIY-IBGZPJMESA-N 437.477 4.093 5 20 IIBD O=C(Nc1ccccn1)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 604105148 ASLIGHKSMNVPGE-KRWDZBQOSA-N 446.463 4.273 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H](c1ccccc1)[C@@H]1CCCO1 608807602 HRBKNUOPUZCMJQ-ICSRJNTNSA-N 437.418 4.452 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)N1CC[C@H](N2CCCC2)C1 608910150 XIARQCLUQWNJOV-GHTZIAJQSA-N 428.920 4.098 5 20 IIBD COC(=O)c1ccc(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)c(OCC(F)(F)F)c1 609067501 XPKYLRZGKFYBPB-UHFFFAOYSA-N 444.387 4.297 5 20 IIBD Cc1nc([C@H]2CCCCN2C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)no1 609975676 QZRAJRQJORNULW-AUUYWEPGSA-N 436.472 4.222 5 20 IIBD CC(C)c1ccc([C@@H](C)CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1 609986761 BSTGWYWAYMXHRT-INIZCTEOSA-N 429.542 4.258 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H](c1ccccc1)C(F)(F)F 610261111 NQTAALZOFQAHEL-CYBMUJFWSA-N 429.203 4.484 5 20 IIBD Cc1ccc2c(CC(=O)N(Cc3nnc(-c4cccc([N+](=O)[O-])c4)o3)C(C)C)c[nH]c2c1 726136193 GBACRUGWVXZHJA-UHFFFAOYSA-N 433.468 4.414 5 20 IIBD O=C(COC(=O)c1cnc(Cc2ccc(F)cc2)s1)Nc1cc(Cl)ccc1[N+](=O)[O-] 727218556 PDHLFBKEIXJGSP-UHFFFAOYSA-N 449.847 4.230 5 20 IIBD O=C(c1ccc2ccccc2c1O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727329093 CNDVDVKOJAPYCB-UHFFFAOYSA-N 445.397 4.435 5 20 IIBD Cc1ccc(CNC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)s1 727474555 GMTAZOLEMSZHRU-UHFFFAOYSA-N 428.436 4.015 5 20 IIBD O=C(OCCN1CCCCC1=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 730409662 LQEAUKGYRNJIQO-UHFFFAOYSA-N 431.876 4.030 5 20 IIBD CC(C)N(Cc1ccccc1F)C(=O)c1ccc(I)c([N+](=O)[O-])c1 730471604 SIVZOEQWSTWFQI-UHFFFAOYSA-N 442.228 4.389 5 20 IIBD Cc1ccc(Cl)c(O[C@@H](C)C(=O)OC[C@@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])c1 730710181 XLBKXHWQBRLAOP-HOTGVXAUSA-N 446.887 4.172 5 20 IIBD COc1c([N+](=O)[O-])cc(NCCc2sc(C)nc2C)c([N+](=O)[O-])c1Br 731030963 WEOONMISRCCPHO-UHFFFAOYSA-N 431.268 4.002 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 731038269 OUYKTVNBJBQYCV-XOBRGWDASA-N 426.448 4.291 5 20 IIBD CN(C[C@@H]1CCCO[C@H]1c1ccccc1)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] 732009629 KNWGKYNYGNCYMT-KXBFYZLASA-N 440.468 4.195 5 20 IIBD CCNC(=O)c1cc(Cl)ccc1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 735011925 ZWINDJLHNSCNMT-UHFFFAOYSA-N 426.256 4.059 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1cccc(C[S@](=O)C2CCCCC2)c1 735022100 OQLWWLOQORCQON-HKBQPEDESA-N 440.525 4.165 5 20 IIBD COc1ccc(-n2c(C)nnc2SCC(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)cc1 736160319 OXHJDIHCWHOZSJ-UHFFFAOYSA-N 447.904 4.185 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cn1 739551240 UGCZTYLVPPLYNW-UHFFFAOYSA-N 437.250 4.352 5 20 IIBD Cc1nc2c(cnn2C(C)C)cc1C(=O)OCc1ccc([N+](=O)[O-])cc1Br 739580471 XEESAYNAELMNRZ-UHFFFAOYSA-N 433.262 4.348 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C2SCCS2)c1 740502765 IUGSNCYDAWXVGT-UHFFFAOYSA-N 445.566 4.151 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@@H]3CCSc4ccccc43)CC2)ccc1[N+](=O)[O-] 744175540 SXJWSLQWLYTOSY-GOSISDBHSA-N 428.510 4.395 5 20 IIBD Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)C2)cc1 745885989 LYGIXZLOHWWAMH-LJQANCHMSA-N 438.528 4.125 5 20 IIBD C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 747002459 QCRHENFYUIABNX-JTQLQIEISA-N 429.782 4.425 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccc(Cl)c(C(F)(F)F)c1 747111760 KGNKATQFOVIAGU-VIFPVBQESA-N 446.765 4.460 5 20 IIBD CCc1nc(C)c(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)s1 747950534 KYRLJZKOWONKDI-NSHDSACASA-N 446.510 4.230 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 748529794 QFAJICGNIGKBJO-QZTJIDSGSA-N 442.516 4.470 5 20 IIBD Cc1c(C(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748622178 AQOUUNZSHCRSAB-UHFFFAOYSA-N 434.836 4.164 5 20 IIBD O=[N+]([O-])c1c(NC[C@@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)nc2ccccn12 748793342 DESZISWRLZIKDL-OAHLLOKOSA-N 434.296 4.123 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccnc(Cl)c2N)c2ccccc2)c([N+](=O)[O-])c1 749308455 YWDUSSGBZSEMEX-SFHVURJKSA-N 440.843 4.071 5 20 IIBD CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1CCC(NC(=O)OC(C)(C)C)CC1 749440561 SVCSYSLDXWYZMI-UHFFFAOYSA-N 434.537 4.081 5 20 IIBD COc1c([N+](=O)[O-])cc(N[C@H](CCO)C2CCCCC2)c([N+](=O)[O-])c1Br 750172295 ZQVFXEQIXMGXPR-LLVKDONJSA-N 432.271 4.017 5 20 IIBD C[C@H](NC(=O)COC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1Cl 750965623 SCXISEFEQNOWFO-JTQLQIEISA-N 441.665 4.045 5 20 IIBD Cc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2I)ccc1Cl 754791891 NEZWAGATRIIJIG-UHFFFAOYSA-N 430.629 4.091 5 20 IIBD C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 755023998 CVIUQYGQIXQXPG-HWPZZCPQSA-N 426.242 4.130 5 20 IIBD C[C@H](C(=O)O[C@H](C)C(=O)Nc1ccc(OC(F)F)cc1)c1ccc([N+](=O)[O-])cc1F 755067468 RDVMXNOQFQZNJO-WDEREUQCSA-N 426.347 4.009 5 20 IIBD C[C@H](CCCC(F)(F)F)NC(=O)c1cc([N+](=O)[O-])ccc1I 756793997 OUMXPFADCLAMOM-MRVPVSSYSA-N 430.164 4.050 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN(Cc1ccccc1)C[C@H](O)c1ccsc1 756903837 OHTMJOBULCDBHV-FQEVSTJZSA-N 425.510 4.139 5 20 IIBD COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 759369982 LBHPMLNDWHTANP-INIZCTEOSA-N 425.485 4.189 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1SC(=O)N(C)C 761893769 GBMXBODTNIWHCK-UHFFFAOYSA-N 429.907 4.131 5 20 IIBD C[C@H](C(=O)Nc1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2)c1cccc([N+](=O)[O-])c1 762232153 XOHLWFIHTKTZSL-AWEZNQCLSA-N 426.473 4.025 5 20 IIBD Cc1cc(C)c(N2C[C@H](c3nc(Cc4c[nH]c5ccc([N+](=O)[O-])cc45)no3)CC2=O)c(C)c1 762311025 YXESPKUCOHDTRQ-QGZVFWFLSA-N 445.479 4.496 5 20 IIBD COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c(I)c1 765021447 DCGNMZYEPSQQSC-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Oc2ccc(N(C)C(=O)OC(C)(C)C)cc2)c1C 765192648 IBRUAVUXRXDJKC-UHFFFAOYSA-N 436.486 4.351 5 20 IIBD O=C(O[C@@H]1CCOC2(CCOCC2)C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 765688207 ZSWDQSQYIDGVPR-LJQANCHMSA-N 426.469 4.092 5 20 IIBD CCCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCN(C(=O)OC(C)(C)C)CC1 768540737 WYOYUZRTAKFVML-UHFFFAOYSA-N 445.520 4.256 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 770007974 BPVJCPQPXUNOGU-MRXNPFEDSA-N 427.791 4.455 5 20 IIBD COc1ccc(-c2ccc(CN3CCOC[C@H]3C[C@H](O)c3ccccc3)o2)c([N+](=O)[O-])c1 770353446 MALCXDCJTIARBU-JPYJTQIMSA-N 438.480 4.188 5 20 IIBD CCCCc1ccc(NC(=O)Cc2noc(COc3ccc([N+](=O)[O-])c(F)c3)n2)cc1 770992887 NGROGBCNAYBYMW-UHFFFAOYSA-N 428.420 4.220 5 20 IIBD CO[C@H]1CCC[C@H]1CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 775593152 NVPSHMLUAUZJIG-DJJJIMSYSA-N 431.876 4.045 5 20 IIBD COc1ccc(C(=O)CCC(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])cc1F 776131901 BDCSQDVULRUPOU-HSZRJFAPSA-N 438.411 4.433 5 20 IIBD C[C@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[C@@H](C)N1C(=O)OC(C)(C)C 780692449 KHRNVDUPTSVCKI-IYBDPMFKSA-N 435.524 4.151 5 20 IIBD Cc1sc2nc([C@@H](C)OC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc(O)c2c1C 781735663 ASADKKJZFVWHAG-SNVBAGLBSA-N 446.441 4.067 5 20 IIBD Cc1cc2cc(NC(=O)C(=O)Nc3cc([N+](=O)[O-])c(C)cc3Br)ccc2[nH]1 783054180 QILKZFMWSJDNMS-UHFFFAOYSA-N 431.246 4.033 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N(C)[C@@H]2CCCc3ccccc32)cc1[N+](=O)[O-] 784645921 CWWLRFYKKYEBRC-QGZVFWFLSA-N 446.301 4.140 5 20 IIBD O=C(Nc1ccccc1C(=O)OCCCN1CCCC1)c1ccc([N+](=O)[O-])cc1Cl 787982558 LKANCEBCLNXNTQ-UHFFFAOYSA-N 431.876 4.143 5 20 IIBD CN(C)c1cc(F)c(C(=O)NCc2cccnc2Oc2cccc(F)c2)cc1[N+](=O)[O-] 791210761 ZJSZBWCNOSAQPB-UHFFFAOYSA-N 428.395 4.056 5 20 IIBD Cc1nc(-c2ccc(OS(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)cc2)no1 791416885 INUZVNAUIGSURS-UHFFFAOYSA-N 430.225 4.028 5 20 IIBD O=C(NC[C@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1)OCc1ccccc1 795243123 LEAFXOGKWZNPOQ-MRXNPFEDSA-N 435.427 4.339 5 20 IIBD CN(C(=O)COC(=O)c1ccc2nc(-c3ccccc3)oc2c1)c1ccc([N+](=O)[O-])cc1 796043038 KKSQCUYCXMUSEK-UHFFFAOYSA-N 431.404 4.223 5 20 IIBD COC(=O)/C=C/c1ccc(OC)c(OC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1 797156950 FGDPHTPCMQAPAT-XYOKQWHBSA-N 429.428 4.095 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 801881577 SVHQAMJNXMEVPS-YSGRDPCXSA-N 449.463 4.099 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1nc(Br)sc1C1CC1 807206153 OWTPKFQGVMUDCJ-UHFFFAOYSA-N 430.711 4.317 5 20 IIBD COc1ccccc1C[C@@H](C)N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 809820632 DSDZAZBDEJIRNV-LLVKDONJSA-N 433.313 4.162 5 20 IIBD Cc1ccc([C@@H]2C[C@H](C)N(C(=O)C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)C2)cc1 810406735 FZZRRSBQRYTSEY-DZGCQCFKSA-N 446.301 4.009 5 20 IIBD CCOC(=O)[C@H](C)NC(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 811501025 DBRUGDIQPSPIPD-NSHDSACASA-N 440.283 4.195 5 20 IIBD CC(C)(C)OC(=O)N1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c2ccccc21 813278117 ARUJMDZPTDBVQH-UHFFFAOYSA-N 449.467 4.182 5 20 IIBD COc1cccc([C@@H](C)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC2)c1 813440524 QBWSFQDPHAAHMZ-CYBMUJFWSA-N 438.311 4.429 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N[C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)cc1[N+](=O)[O-] 813669875 LUGYCYQPRZQDNL-CRAIPNDOSA-N 432.521 4.053 5 20 IIBD C[C@@H](OC(=O)c1cccc(F)c1Br)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 814507271 RGYVBGOBKGKOAS-MRVPVSSYSA-N 445.628 4.334 5 20 IIBD O=C(CCc1nc(-c2ccsc2)no1)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F 815176039 WAXWORFVVGKDOJ-UHFFFAOYSA-N 427.360 4.401 5 20 IIBD COc1cc([C@H]2NC(=O)c3cc(F)c(F)cc3N2)c([N+](=O)[O-])cc1OCc1ccccc1 877858050 BMLCKKPWDXWKRO-OAQYLSRUSA-N 441.390 4.315 5 20 IIBD COc1ccc(-c2nc(Cc3noc(CCC(=O)c4cccc([N+](=O)[O-])c4)n3)co2)cc1 904330295 IAAOYBWUPQYWKV-UHFFFAOYSA-N 434.408 4.048 5 20 IIBD COc1ccc(CSCC(=O)OCc2ccc(Br)cc2F)cc1[N+](=O)[O-] 914799621 DQXUDISPYHKQSG-UHFFFAOYSA-N 444.278 4.482 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCN(C(=O)/C=C/c2ccccc2)CC1 915283604 VFMFNKFJQYNBGI-RMKNXTFCSA-N 445.422 4.087 5 20 IIBD CCOc1ccc(C(=O)OCc2nnc(-c3cc4c(s3)CCCC4)o2)cc1[N+](=O)[O-] 916655884 ZDSQUHNUOFXHLT-UHFFFAOYSA-N 429.454 4.341 5 20 IIBD COc1cc(Cl)c(C)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 918146466 WTSCXXDBRVRNBS-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)C(C)C)c1 920278434 DMDYZMCVSFNORH-UHFFFAOYSA-N 439.390 4.112 5 20 IIBD CCOc1cc(C(=O)O[C@@H](C(=O)NC2CCCCCC2)C(C)C)c([N+](=O)[O-])cc1OC 926492886 IIGWUUIHANLZAX-HXUWFJFHSA-N 436.505 4.023 5 20 IIBD COC(=O)[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1Cl 1322095811 IKVGRJUTGISEEK-HSZRJFAPSA-N 435.863 4.266 5 20 IIBD Cc1cc(Cl)ccc1OCCCc1nnc(-c2cc3c(cc2[N+](=O)[O-])OCCO3)o1 1322724137 LZSUXKPWYVTSML-UHFFFAOYSA-N 431.832 4.389 5 20 IIBD Cc1ccc(-c2nnc(-c3ccc(Cn4nnc(-c5ccccc5)n4)cc3)o2)cc1[N+](=O)[O-] 1323794912 XRQZLBYTLDSPIR-UHFFFAOYSA-N 439.435 4.322 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 1339005041 TZMJEROXZRHGJA-CQSZACIVSA-N 430.766 4.301 5 20 IIBD CC(C)([C@H](OC(=O)Cc1c[nH]c2cnccc12)c1ccc(Br)cc1)[N+](=O)[O-] 1516822789 YEXYDTRKPRGZGE-GOSISDBHSA-N 432.274 4.208 5 20 IIBD Cc1cncc(C(=O)NC2(c3ccc(NC(=O)c4cc(C)c([N+](=O)[O-])cn4)cc3)CCC2)c1 1788765607 SXAFTWZFPORHKM-UHFFFAOYSA-N 445.479 4.063 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])NC1(c2ccc(NC(=O)[C@H]3CCC=CO3)cc2)CCC1 1789504861 MVGZUWBMIHWGJZ-UBLKFNIESA-N 447.491 4.435 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)CCC2)cc1)c1ccccc1 1790213285 UXLPFQGTVXDXAL-UHFFFAOYSA-N 431.448 4.362 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1C1CC1 1803514690 IWMQTRXFBGKTRK-PLOKYWTBSA-N 435.480 4.030 5 20 IIBD CCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2F)[nH]n1 1821939525 SARUFFUFUCPTJO-SFHVURJKSA-N 445.495 4.128 5 20 IIBD CC(C)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)CSc2ccccc2[N+](=O)[O-])n[nH]1 1822312243 HCTKISXQVFSUNY-INIZCTEOSA-N 445.545 4.148 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cc([N+](=O)[O-])ccc2F)CC1 1824343398 MWAWHCYWSNVGPD-HTAPYJJXSA-N 447.551 4.332 5 20 IIBD O=C([C@@H]1C[C@@H]1C1CC1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830617223 UKAAIPBWZFEWSI-SFHLNBCPSA-N 443.519 4.013 5 20 IIBD COc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2-c2cccs2)cc1NC(C)=O 15359189 NZHSTRVONSHJRM-UHFFFAOYSA-N 448.478 4.058 5 20 IIBD Cc1nc(Cc2nnc(S[C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)o2)cs1 17723037 AABFUWKQBMAATO-VIFPVBQESA-N 430.471 4.237 5 20 IIBD COc1ccccc1CNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 19199739 DXAALFLZKIFIBO-UHFFFAOYSA-N 442.475 4.315 5 20 IIBD Cc1cccc2sc(NC(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)nc12 23688508 HCXRXBPKWMQWFT-UHFFFAOYSA-N 426.483 4.045 5 20 IIBD COc1ccc(NC(=O)CCSc2nnc(C3CC3)n2-c2ccccc2)c([N+](=O)[O-])c1 26368937 YCISAUIKXARFAG-UHFFFAOYSA-N 439.497 4.182 5 20 IIBD COc1cccc([C@@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)N2CCCC2)c1 27341112 ZAFCXICNZKVXIP-LJQANCHMSA-N 425.510 4.385 5 20 IIBD CCOc1cc(C(=O)O[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)c([N+](=O)[O-])cc1OC 28000335 KJDNHNUANOMFQL-HNNXBMFYSA-N 430.457 4.111 5 20 IIBD Cc1ccc(CN(c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 30364353 RICAAQOVJQTNSK-UHFFFAOYSA-N 446.506 4.131 5 20 IIBD CCOc1ccc([C@H](C)NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1OC 46623718 MZYGVUXJINHAAC-KRWDZBQOSA-N 430.504 4.439 5 20 IIBD CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 63765321 IIXQKMKITFQHCS-UHFFFAOYSA-N 431.283 4.016 5 20 IIBD Cc1cc(S(=O)(=O)NCc2ccccc2COCc2ccccc2)ccc1[N+](=O)[O-] 97572869 LFFDXHUBBDUNNV-UHFFFAOYSA-N 426.494 4.099 5 20 IIBD C[C@H](CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)CN1CCCC1 108298416 BSYLJWGISCCYGB-MRXNPFEDSA-N 430.936 4.322 5 20 IIBD CCOc1cc(C(=O)N[C@@H](C)Cc2cccc(Br)c2)c([N+](=O)[O-])cc1OC 195678027 GDNODUBUFWYLRB-LBPRGKRZSA-N 437.290 4.126 5 20 IIBD CCc1nc(CN2CCC(CNc3ncc(Br)cc3[N+](=O)[O-])CC2)cs1 301712025 YEEZBJIENCXWOI-UHFFFAOYSA-N 440.367 4.095 5 20 IIBD CS(=O)(=O)c1cc(C(=O)Nc2nc3c(ccc4ccccc43)s2)cc([N+](=O)[O-])c1 303059942 XEADLOXABRXEMT-UHFFFAOYSA-N 427.463 4.014 5 20 IIBD O=C(Nc1ccc(OCCc2ccccc2)nc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 303824311 YITHEKLKIAEUPK-UHFFFAOYSA-N 429.436 4.049 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] 409587609 REUJUFJUWZRECG-UHFFFAOYSA-N 441.296 4.256 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@H](OCC3CC3)C2)cc1 428112930 CDFLOESOOUJCCR-FQEVSTJZSA-N 426.469 4.427 5 20 IIBD CCOc1cc(C(=O)N(C)C)ccc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 428765042 IFCLZKCCGWUQQM-UHFFFAOYSA-N 428.489 4.138 5 20 IIBD Cc1cc(OCC(=O)Nc2ccccc2NC(=O)Cc2cccs2)ccc1[N+](=O)[O-] 430521494 DQUCJHDTAHPPQO-UHFFFAOYSA-N 425.466 4.163 5 20 IIBD CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccc(F)c(Cl)c1 433268484 DWXYWOVSYHSSNJ-UHFFFAOYSA-N 430.661 4.220 5 20 IIBD O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 435828390 VROCHWSHTYVLJK-FQEVSTJZSA-N 437.446 4.119 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(Sc3ccncc3)cc2)cc1[N+](=O)[O-] 435837847 UVJPRNWOPTTYSD-HNNXBMFYSA-N 436.493 4.265 5 20 IIBD COc1cccc(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)c1[N+](=O)[O-] 435855936 LPTVGGSLLVTCDQ-UHFFFAOYSA-N 435.259 4.137 5 20 IIBD Cc1oc(-c2ccccc2)c(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c1C 436116409 VKBQZJQZLHVCQQ-UHFFFAOYSA-N 439.493 4.131 5 20 IIBD CCN(CC1CCN(c2ccccn2)CC1)C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 437043644 FYIQIAXPBPWXJX-INIZCTEOSA-N 446.935 4.176 5 20 IIBD O=C(Nc1cccc(COCc2ccco2)c1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 437066966 AYIMVJWWSGRMRZ-UHFFFAOYSA-N 449.463 4.034 5 20 IIBD CCN(C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C)[C@@H](Cc1ccc(F)cc1)C(C)C 437119332 UQMCNWCETOMVIL-NRFANRHFSA-N 439.491 4.352 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N(CCC(F)(F)F)CC1CC1 438034383 LTPWTFNEWJOFBL-UHFFFAOYSA-N 442.175 4.004 5 20 IIBD CC(=O)NCc1ccc(-c2nc(NC(=O)Cc3cccc([N+](=O)[O-])c3C)sc2C)s1 438986907 OATSVQSKJMQQMG-UHFFFAOYSA-N 444.538 4.214 5 20 IIBD Cc1c(C(=O)N(C[C@@H]2CCN(Cc3ccccc3)C2)CC(F)(F)F)cccc1[N+](=O)[O-] 440429156 JVYASDRKMNMART-GOSISDBHSA-N 435.446 4.430 5 20 IIBD CC1CCN(CCc2cccc(NC(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c2)CC1 442181998 OCDBRMWJCZSQAA-UHFFFAOYSA-N 444.919 4.100 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c([N+](=O)[O-])c1 443907080 RIHLGOWABAJIDW-HNNXBMFYSA-N 449.442 4.224 5 20 IIBD Cc1ccc(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c(O[C@@H]2CCOC2)c1 444228087 QPADTQUZPPVKIR-QGZVFWFLSA-N 446.478 4.227 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(OC4COC4)cc3)cc2[N+](=O)[O-])C1 444331104 UUXFMQBNAQKLQB-IYBDPMFKSA-N 425.485 4.107 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(Br)s2)c([N+](=O)[O-])c1 444761924 YJQPYSAIDKASLC-UWVGGRQHSA-N 428.308 4.105 5 20 IIBD CCN(Cc1ccncc1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 446349651 GJKBMZPZQNDXHF-UHFFFAOYSA-N 442.522 4.190 5 20 IIBD CC(C)N(Cc1ccccc1F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 447029144 KFJBPMSORMKURI-UHFFFAOYSA-N 431.283 4.096 5 20 IIBD C[C@@H]1C[C@@H](c2ccccc2F)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 447036873 HJAQRFRISGKMAJ-BZNIZROVSA-N 443.294 4.268 5 20 IIBD COc1ccc(CSCC(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)cc1[N+](=O)[O-] 447651406 GOBJDHOUIKMCAH-UHFFFAOYSA-N 448.451 4.154 5 20 IIBD Cc1ccc(C(C)(C)CN(C)C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 460535202 JRMJNNQUWNOOIN-QGZVFWFLSA-N 429.542 4.006 5 20 IIBD CC(C)S(=O)(=O)Cc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 463857335 QUKOGQDXBNCDCX-UHFFFAOYSA-N 430.404 4.189 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1cccc(NC(=O)NCc2ccncc2)c1 463954634 MDLNLAXUKJDYJX-UHFFFAOYSA-N 448.483 4.250 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2c3ccccc3CC23CCOCC3)cc1SC 464711777 OTYMIYZVDZVBPY-HXUWFJFHSA-N 428.510 4.149 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(Cc3cc4c(cc3Br)OCCO4)CC2)cc1 464779119 PGYHYLKPIWDBHK-UHFFFAOYSA-N 449.301 4.172 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCc2cc(-c3cccc(F)c3)ccc21 464870900 BTTNRROVXJMVQK-HNNXBMFYSA-N 433.439 4.109 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](N[C@@H]1CCC[C@H]2OCC[C@@H]12)c1ccccc1 471644726 CGZMZQRKSDBXOY-RCVZYCBYSA-N 429.904 4.475 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)cc1SC 471678422 JARKPXLOQMIBLF-WOJBJXKFSA-N 430.526 4.439 5 20 IIBD CCc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cnn1-c1ccc(OC)cc1 471746863 DTJLLHRSRGMICE-UHFFFAOYSA-N 432.383 4.205 5 20 IIBD CCOc1ccc([C@@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C(C)C)cc1OCC 472566778 RUSWUTXVMDCZCN-NRFANRHFSA-N 436.530 4.209 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 472944733 VSYLQQPQVUZGAY-UHFFFAOYSA-N 439.295 4.488 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3cncc(-c4cccc(C)c4)c3)CC2)ccc1[N+](=O)[O-] 477377697 MAHFSZBYOCFQSY-UHFFFAOYSA-N 446.507 4.326 5 20 IIBD COc1cc(CN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C2CC2)ccc1OC(F)F 477898786 QJBYBMDVQRYBMI-UHFFFAOYSA-N 436.411 4.327 5 20 IIBD CC1CCN([C@@H](CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c2cccs2)CC1 478956529 GIXXVCMGDOHIMS-FQEVSTJZSA-N 439.541 4.045 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cnn(-c3ccc(C)cc3)c2C(C)C)cc1[N+](=O)[O-] 480194841 HABZEBAXSLVMQM-UHFFFAOYSA-N 430.486 4.022 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)c1 481890489 IOLLYDDSHGTEOU-GHTZIAJQSA-N 425.554 4.443 5 20 IIBD Cc1ccc([C@@H](C)NCCC(=O)N(C)Cc2ccccc2Br)cc1[N+](=O)[O-] 482896780 UUQIDGRTEKGQHV-OAHLLOKOSA-N 434.334 4.365 5 20 IIBD CN(C)C(=O)C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Br)c2ccc(Cl)cc21 485141671 LUVLEGLHJVXLPB-JTQLQIEISA-N 439.697 4.119 5 20 IIBD C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 485328694 BYLBBDSYWCAQRU-SNVBAGLBSA-N 440.681 4.169 5 20 IIBD COc1ccc([C@H](CNC(=O)c2cccc(SC)c2[N+](=O)[O-])N2CCCCC2)cc1 485740953 CBXHQTMOXMFXQD-IBGZPJMESA-N 429.542 4.282 5 20 IIBD O=[N+]([O-])c1cc(CNS(=O)(=O)Cc2cc(Cl)ccc2F)cc(C(F)(F)F)c1 487370201 VQLDLTADGNPRHX-UHFFFAOYSA-N 426.775 4.026 5 20 IIBD COC(=O)c1sc2cccc(F)c2c1Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O 489103917 KSTLESPNRCAAEV-UHFFFAOYSA-N 439.424 4.007 5 20 IIBD Cc1cc(=O)c(C(=O)N[C@@H](c2ccccc2)C2CCCC2)nn1-c1ccccc1[N+](=O)[O-] 489393659 QFULQUDRQUENIV-QFIPXVFZSA-N 432.480 4.110 5 20 IIBD C[C@H]1CSCCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 489533825 SJKDLBDQZKXJTO-CYBMUJFWSA-N 431.480 4.042 5 20 IIBD CO[C@H](C)c1nc(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cs1 490088249 FYIKEXQNYBTDCO-CQSZACIVSA-N 426.498 4.301 5 20 IIBD O=C(Nc1nc(CC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cs1)c1ccccc1 490372770 WSIIRZWLCNHMMV-UHFFFAOYSA-N 436.493 4.037 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc1OC 491001762 IOTNORKUNOKJRJ-AWEZNQCLSA-N 445.541 4.357 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnn(S(=O)(=O)c3cccc(Cl)c3Br)c2)c1 493910208 ZQSBBVRIBKBMIV-UHFFFAOYSA-N 442.678 4.111 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(OC3CCCCC3)cc2)cc1[N+](=O)[O-] 493917338 QMKFZVSZSUFTEY-MRXNPFEDSA-N 425.485 4.431 5 20 IIBD O=C(CC1CCCC1)NC1CCC(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)CC1 498134377 GRSUSZNYRLZVSV-MCSCQSGASA-N 445.585 4.424 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@@H](COCc1ccccc1)c1ccccc1 500943036 HAROKSHWFVAVBY-QFIPXVFZSA-N 440.521 4.015 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)cc1[N+](=O)[O-] 501438702 UPYLIDCDGFBSRY-HXUWFJFHSA-N 444.896 4.171 5 20 IIBD CN1CCC(Nc2ccccc2NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 502625018 HEYORDXBFNGYKA-UHFFFAOYSA-N 437.525 4.477 5 20 IIBD Cc1cc(=O)c(C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)nn1-c1ccccc1[N+](=O)[O-] 502968210 HJWAFATYTJXBRL-QGZVFWFLSA-N 438.871 4.080 5 20 IIBD Cc1ccc(S(=O)(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)c([N+](=O)[O-])c1 503209613 AXXJTUPLQGVIOH-GOSISDBHSA-N 431.901 4.214 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)N(C)C)ccc1OCC 503427579 JLODOWCJYTWXSE-UHFFFAOYSA-N 431.514 4.450 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN(c2ccccc2OC)C1 506184712 ZIBDYCNOGFDUOT-INIZCTEOSA-N 429.542 4.362 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)NCC2(c3ccc(Br)cc3Cl)CC2)c1 507105598 ORWRNEOJHPLTKI-UHFFFAOYSA-N 439.693 4.481 5 20 IIBD C[C@H](CNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])c1nncn1C 507571804 BIKGHLQFWMLFCY-GFCCVEGCSA-N 431.905 4.061 5 20 IIBD COc1ccccc1-c1nc(C[S@@](=O)CCC(=O)Nc2ccccc2[N+](=O)[O-])cs1 507698243 OKHCYLVKCUXWOD-PMERELPUSA-N 445.522 4.004 5 20 IIBD CS(=O)(=O)c1cc(S(=O)(=O)Cc2ccc(C3CCCCC3)cc2)ccc1[N+](=O)[O-] 507824646 PGFRWGYCHACOMT-UHFFFAOYSA-N 437.539 4.020 5 20 IIBD O=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 512782312 GBILUKMSAWYRGU-UHFFFAOYSA-N 448.957 4.325 5 20 IIBD COc1cccc(C2(F)CCN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)CC2)c1 513069127 NBCXMBVWCDZGBQ-UHFFFAOYSA-N 427.476 4.305 5 20 IIBD O=C(N[C@H](c1ccccc1)c1ccccn1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 514431794 TYPDKTURPNSLHI-LJQANCHMSA-N 431.370 4.450 5 20 IIBD COc1ccc(-c2nc(C)c(C(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCCO4)s2)cc1 514864502 ONROKWXBCZATRX-UHFFFAOYSA-N 441.465 4.449 5 20 IIBD COc1cc(C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)c([N+](=O)[O-])cc1OCc1cscn1 520708633 MKBAIXCEXRROPF-UYANXQCSSA-N 443.525 4.193 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)NC[C@@H](CO)Cc3cccnc3)cc2[N+](=O)[O-])cc1 520890214 KPFXICFABOBEFJ-SFHVURJKSA-N 437.521 4.030 5 20 IIBD CCCc1[nH]nc(C(=O)Nc2ccc(OC)c(NC(=O)C3CCCCC3)c2)c1[N+](=O)[O-] 523869556 KLIPMHVOBXCBRX-UHFFFAOYSA-N 429.477 4.050 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(-c2ccc(Cl)cc2)nn1CCO 524175312 CEVPSFUNCUZYTE-CYBMUJFWSA-N 446.916 4.223 5 20 IIBD CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)N1CCc2ccccc2C1 524606791 HLUWFGFHLAXSNI-FQEVSTJZSA-N 446.345 4.170 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC(OCCc2ccccc2)CC1 525354432 SECBXXVCYQVFEO-UHFFFAOYSA-N 425.529 4.351 5 20 IIBD COc1ccc(C[C@H](C)CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 534132123 SBHFTYXGTRPHCW-ZDUSSCGKSA-N 446.447 4.122 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H](C(=O)Nc1ccccc1)c1ccccc1 534640275 FBXNBANZJVKNIT-HSZRJFAPSA-N 428.448 4.115 5 20 IIBD COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)SCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1C 534794894 UKSKMCNKQOEYGD-ZDUSSCGKSA-N 443.481 4.486 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cc(-c2ccccc2)nn1C(C)(C)C)c1cccc([N+](=O)[O-])c1 536456531 UVJVKMHHDANNNV-HNNXBMFYSA-N 435.484 4.029 5 20 IIBD COc1ccc(NC(=O)CN[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)c([N+](=O)[O-])c1 537029339 QOLSXDGWIMWWGC-INIZCTEOSA-N 448.479 4.145 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1n[nH]c(-c2ccccc2Br)n1 537711538 YXIRZFMMUYXORO-UHFFFAOYSA-N 430.262 4.320 5 20 IIBD CC[C@H](CSC)N(C)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 538032056 DPKDMPYCZAGVBY-OAHLLOKOSA-N 433.496 4.430 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2ccc(Cl)cc2[N+](=O)[O-])cc1 538141702 NGNHFYGLNGITFL-AWEZNQCLSA-N 425.938 4.130 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1 539658098 OCNRFUKULDHIIY-UHFFFAOYSA-N 440.518 4.423 5 20 IIBD COc1cc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc(OC)c1Br 540510398 KSZVMBRVFOMFTN-UHFFFAOYSA-N 434.246 4.037 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1Br 542506668 JRVKUJZCPDDJOR-JTQLQIEISA-N 434.216 4.118 5 20 IIBD C[C@H](C(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1)c1ccc([N+](=O)[O-])cc1F 542619700 MKRUMIOONVUTRF-VIFPVBQESA-N 434.225 4.024 5 20 IIBD COc1ccc(CSCC(=O)N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] 542677991 TYIRZQBJUBEZEK-PXNSSMCTSA-N 434.489 4.012 5 20 IIBD COc1ccc2c(c1)C[C@H](C)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]2C 542881068 LSEAEWROPQWADT-QWHCGFSZSA-N 448.317 4.312 5 20 IIBD COc1cc(C(=O)N(C[C@H](C)C(=O)O)C2CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 543710887 XUKJUINZQFIDTK-LBPRGKRZSA-N 448.859 4.374 5 20 IIBD O=C(Nc1nc(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cs1)c1ccccc1F 544934731 ATXVEZMNWYAMCE-UHFFFAOYSA-N 425.401 4.084 5 20 IIBD CN1CCCN(c2ccc(-c3noc(COc4cccc([N+](=O)[O-])c4)n3)cc2Cl)CC1 545004443 XVNBSGKSKQHWPG-UHFFFAOYSA-N 443.891 4.019 5 20 IIBD CCc1ccc([C@@H]2CCCN(C(=O)c3nn(-c4ccccc4[N+](=O)[O-])c(C)cc3=O)C2)cc1 552729633 BHDAIQRIEWNXKJ-HXUWFJFHSA-N 446.507 4.031 5 20 IIBD CC(C)(CO)[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1cccs1 554908532 PIIMZZGXJXNSQK-AWEZNQCLSA-N 439.342 4.001 5 20 IIBD COc1ccc([C@@H](Nc2nc(O)c3cc([N+](=O)[O-])ccc3n2)c2ccccc2OC)cc1 561276194 RPGVPUVUYBOULP-OAQYLSRUSA-N 432.436 4.462 5 20 IIBD O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1 566642676 XLUKAUUQDHOJBF-UHFFFAOYSA-N 446.797 4.355 5 20 IIBD O=[N+]([O-])c1ccc(CN(c2nnc(-c3ccccn3)n2Cc2ccccc2)C2CC2)cc1 580060309 IJVVUKDTIOLWJM-UHFFFAOYSA-N 426.480 4.466 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H](Cc2ccccc2)C(F)(F)F)cc1OC 581162861 INKRFIWHCHGGCN-AWEZNQCLSA-N 426.391 4.153 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 582187245 KSJZDPLIHKWWKO-CYBMUJFWSA-N 440.905 4.027 5 20 IIBD Cn1ccnc1[C@H](N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1ccc([N+](=O)[O-])cc1 582411602 KGSPLXFYCMRAQA-MGPUTAFESA-N 429.883 4.079 5 20 IIBD Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] 603982120 AXJIPAQRIQZVNB-GASCZTMLSA-N 445.541 4.131 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)c3ccccc3)c2C)cc1[N+](=O)[O-] 603983543 MXVKYNDVBAZGGK-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604262398 BIKKWXXYBPAECP-VXGBXAGGSA-N 427.345 4.376 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCC(=O)N3CCc4ccccc43)c([N+](=O)[O-])c2)cc1 608973302 HBPNYEWCQRSFAP-UHFFFAOYSA-N 430.464 4.157 5 20 IIBD CC(C)C(=O)N1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 609025069 RIWARRNEWOFFJI-UHFFFAOYSA-N 427.526 4.077 5 20 IIBD CCOC(=O)c1cc(-c2nc(-c3cccc(OCc4cccnc4)c3)no2)cc([N+](=O)[O-])c1 609475671 ZJUMZXZRYWYVJK-UHFFFAOYSA-N 446.419 4.463 5 20 IIBD C[C@H]1CN(CCCNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C[C@@H](C)O1 609780992 IROYMTOSLSBOSK-CALCHBBNSA-N 428.489 4.008 5 20 IIBD O=C([C@H]1CSc2ccccc21)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 609814073 XYSAICFGGILXME-HNNXBMFYSA-N 437.443 4.152 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 610046522 SKDGOWYRVNQAQR-UHFFFAOYSA-N 430.526 4.064 5 20 IIBD CC(C)S(=O)(=O)Cc1ccc(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1 610094822 JZDNZIJNYKFMKF-UHFFFAOYSA-N 433.530 4.062 5 20 IIBD CN(C[C@@H](O)C1CC1)C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 610670061 CLXCRXHRJDDBDK-MJLBXUHQSA-N 437.521 4.365 5 20 IIBD CN(CCOC(C)(C)C)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 610862475 JZJFQFFJMBBURS-UHFFFAOYSA-N 431.455 4.104 5 20 IIBD Cc1nc(CN2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SC3CCCC3)CC2)cs1 611198939 MTKZWYUEPHHFSD-UHFFFAOYSA-N 446.598 4.352 5 20 IIBD Cc1cc(Br)ccc1Cc1noc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)n1 612966832 JKKUOQTVZQAZTP-LBPRGKRZSA-N 445.273 4.131 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N1CCCC[C@@H]1c1noc(C2CC2)n1 618461437 JXVAFHLIJRMQFF-SECBINFHSA-N 427.280 4.047 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(OCc2ccc(F)cc2)c1 619466786 SADFDKZZXFWZJL-UHFFFAOYSA-N 432.429 4.122 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nnc(NCCc2cccs2)s1 619563876 NDVGKRFUALWDOW-UHFFFAOYSA-N 435.556 4.202 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@@H]3C[C@H]4CC[C@H]3C4)cc2)cc1[N+](=O)[O-] 619827626 WWWWXYGSAAJZIO-YZVOILCLSA-N 429.498 4.079 5 20 IIBD C[C@H](NC(=S)NNC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl 727088865 KUCMLEXXOSWSCI-VIFPVBQESA-N 444.369 4.328 5 20 IIBD Cc1cc(F)c2c(c1)CCCN2C(=O)c1ccc(I)c([N+](=O)[O-])c1 727748884 MWUDKTDCCPWGPL-UHFFFAOYSA-N 440.212 4.240 5 20 IIBD Cc1ccc(C(C)C)c(OCc2nnc(SCc3c(F)cccc3[N+](=O)[O-])n2N)c1 728790021 GCTDVCRHAGABKD-UHFFFAOYSA-N 431.493 4.342 5 20 IIBD COc1ccc([C@H](OC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)[C@H](C)n2cccn2)cc1 729801561 BSPHSTRVHGWUJH-KSFYIVLOSA-N 447.451 4.145 5 20 IIBD CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2ccc(OCC(C)C)cc2)NC(=S)N1 730202522 RPZYDBFYYNMOSB-HXUWFJFHSA-N 440.525 4.061 5 20 IIBD CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)OCc1cc([N+](=O)[O-])ccc1OC)O[C@@H](C)C2 730651071 LGWHHHQKEKJIJV-SOVGHPHASA-N 427.453 4.172 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCCc1ccc(N2CCCCC2)cc1 731971310 MZOIIARGDHFXSG-UHFFFAOYSA-N 439.484 4.236 5 20 IIBD O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1ccc(Cl)c([N+](=O)[O-])c1 733938864 KVIPLMSJZTZJRK-GFCCVEGCSA-N 429.782 4.156 5 20 IIBD CN1C(=O)CC[C@H](C(=O)OCc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(C(F)(F)F)cc1 734388889 KOJLWNSSTMNLOX-PKOBYXMFSA-N 436.386 4.267 5 20 IIBD O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 734788084 AMWRDDPHWJQDDG-GOSISDBHSA-N 426.492 4.123 5 20 IIBD O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)C1(c2ccc(F)cc2)CCOCC1 735442985 NDMHHXMDSLRONN-UHFFFAOYSA-N 426.400 4.181 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)c1coc(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 737805134 BALINCGSEQZGLP-IBGZPJMESA-N 449.463 4.492 5 20 IIBD C[C@H](OC(=O)C1CCN(Cc2ccccc2)CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 741330033 MRDXQPJXVZIHON-HNNXBMFYSA-N 445.903 4.031 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2cccnc2Nc2ccccc2F)cccc1[N+](=O)[O-] 741818356 FXXJQSSPOBNCEK-CQSZACIVSA-N 438.415 4.365 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)N1CCC2(CCCC2)C1 742878323 OAVXNKUXRQOPQB-UHFFFAOYSA-N 443.525 4.110 5 20 IIBD CCC(=O)c1ccc(OS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1 743338303 DTKMXEWUOPFPRB-UHFFFAOYSA-N 428.260 4.026 5 20 IIBD C[C@H](OC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(N(C)Cc2ccccn2)c(F)c1 744202062 ALDIFOQIYOFGJK-INIZCTEOSA-N 439.443 4.449 5 20 IIBD O=C(Nc1cc(F)c(F)cc1I)c1cc(Cl)ccc1[N+](=O)[O-] 744381691 YJAQSLZRUUKTAA-UHFFFAOYSA-N 438.555 4.383 5 20 IIBD C[C@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1nc(Cc2ccccc2)no1 744471453 RDZALGDAQGCKJS-INIZCTEOSA-N 436.468 4.089 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1F 744554744 VXEGJNQRCFABDB-HNNXBMFYSA-N 429.448 4.217 5 20 IIBD C[C@H](OC(=O)[C@H](C)Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1 744740376 DUVFQFFLLAXFTA-QWRGUYRKSA-N 427.240 4.239 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Br)c1nc(Cc2ccccc2)no1 744914988 GXOFUYBUZCBMBH-LLVKDONJSA-N 432.230 4.249 5 20 IIBD Cc1ccc(-c2nc(CNc3ccc(S(=O)(=O)C(F)(F)F)cc3[N+](=O)[O-])co2)cc1 745975670 RHHKKHYRFBQMCH-UHFFFAOYSA-N 441.387 4.464 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1F)C1CCN(C(=O)c2cccc3ccccc23)CC1 746911981 SJYYDCJRUAXOCY-UHFFFAOYSA-N 436.439 4.483 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)cc1[N+](=O)[O-] 748357391 BQXZYOBOHHAABY-UHFFFAOYSA-N 441.444 4.472 5 20 IIBD CC[C@@H](C)c1ccccc1OCC(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 749359156 RGUPHBXZSLPITH-QGZVFWFLSA-N 427.501 4.342 5 20 IIBD O=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1cc([N+](=O)[O-])ccc1Br 751094641 XSCFKHYXNKJFCF-UHFFFAOYSA-N 438.241 4.319 5 20 IIBD O=C(CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)Nc1cccc2ccccc12 751185437 PPCVISMNPYBEHV-UHFFFAOYSA-N 432.480 4.107 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)c([N+](=O)[O-])c1 751258045 KEUPVNYMGQCFTF-NFBKMPQASA-N 448.523 4.432 5 20 IIBD O=C(CCc1ccc(-c2ccccc2F)o1)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 753588042 YYBNMXKCJGEJCS-UHFFFAOYSA-N 438.411 4.059 5 20 IIBD C[C@@H]1CN(c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2Br)C[C@@H](C)O1 753800731 NLFCGAZJCOGUIX-CHWSQXEVSA-N 434.290 4.223 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC[C@H]1Cn1cnc2ccccc21 756320423 LTXMSVMJRUDMHY-ZDUSSCGKSA-N 447.264 4.151 5 20 IIBD CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2ccc(C(F)(F)F)s2)NC(=S)N1 758054027 GCPWNQNWBSTPGS-CQSZACIVSA-N 442.444 4.107 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)cc2F)C[C@@H](C)O1 762445612 VQZAKPJSBZWZME-OKILXGFUSA-N 433.455 4.403 5 20 IIBD CC(C)OC(=O)NCc1ccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 763962507 GAKVUQKKWSUHNX-UHFFFAOYSA-N 426.473 4.426 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Oc1cccc(-c2nc(C)cc(O)n2)c1 764655233 HYOPSRREQOFACN-UHFFFAOYSA-N 441.465 4.024 5 20 IIBD CCCN(Cn1nc(C)c2cc([N+](=O)[O-])ccc21)C1CCN(C(=O)c2ccccc2)CC1 764967027 SXSGEIJTGIIINT-UHFFFAOYSA-N 435.528 4.227 5 20 IIBD CC(C)(C)[C@@H](NC(=O)COC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1cccs1 766221193 NMJPERFIAMLPQX-IBGZPJMESA-N 427.482 4.265 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 767989322 HWHYCNCDWOKCRE-LJQANCHMSA-N 429.835 4.261 5 20 IIBD C[C@H](Oc1cccc2ccccc12)C(=O)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 769345902 BCTSCVNSEIWBEI-HNNXBMFYSA-N 436.420 4.057 5 20 IIBD COc1cc(/C=C(/C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c2ccccc2)ccc1O 769629232 RWURNXATCSAYKU-WOJGMQOQSA-N 444.447 4.042 5 20 IIBD CC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C)c1nc(C(F)(F)F)cs1 769904597 BWFPTTXMFRZMDF-VIFPVBQESA-N 443.856 4.462 5 20 IIBD C[C@H](Cc1noc(CCOc2ccc(Cl)cc2[N+](=O)[O-])n1)N(C)C(=O)OC(C)(C)C 771122882 LRPOETNIIAQRBM-GFCCVEGCSA-N 440.884 4.051 5 20 IIBD O=C(OCC1CCN(Cc2ccco2)CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 772694025 QPEIMKQEZDEPBO-UHFFFAOYSA-N 427.482 4.380 5 20 IIBD O=C(CC[C@H]1Cc2ccccc2NC1=O)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776134333 AWHJOQURNDPGCT-SBUREZEXSA-N 431.448 4.214 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)c1csc(Cc2cccc(F)c2)n1 778814557 OJXCGHWQZFPDRK-MRXNPFEDSA-N 445.447 4.356 5 20 IIBD Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 781267410 HNPBUANBWIXPEF-DLBZAZTESA-N 428.488 4.412 5 20 IIBD C[C@H](NC(=O)COC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccc(Cl)cc1 781678691 UKZKNAMPXCCEEV-JTQLQIEISA-N 441.665 4.045 5 20 IIBD COC(=O)Nc1ccc(NCc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])cc1F 782973276 ASMHMYGJSXRHIN-UHFFFAOYSA-N 447.341 4.474 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(N[C@@H]2CSc3ccc(Br)cc32)c1[N+](=O)[O-] 784708949 DEUMCCWOCCITEG-GFCCVEGCSA-N 440.275 4.325 5 20 IIBD C[C@H](OC(=O)c1cc(F)c(F)cc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 785594070 UUDKCOIYXBKNKD-ZETCQYMHSA-N 436.264 4.215 5 20 IIBD O=C(Cc1nc(-c2ccc(F)cc2)cs1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 787004793 SXSMVUVLQKRBMF-UHFFFAOYSA-N 430.413 4.010 5 20 IIBD Nc1ccc(C(=O)N[C@H](Cc2ccccn2)c2ccc(Br)cc2)cc1[N+](=O)[O-] 789854947 IBMNRFUMTYWJGS-GOSISDBHSA-N 441.285 4.048 5 20 IIBD Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790903802 BEXZSXKBPWXEGL-HNNXBMFYSA-N 430.867 4.279 5 20 IIBD CCC(=O)c1ccc(Cl)c(S(=O)(=O)Oc2c(Br)cccc2[N+](=O)[O-])c1 795146288 WXSSWHMIKXDULM-UHFFFAOYSA-N 448.678 4.371 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCCc1cscc1Br 798923713 WOZXODIUYLGNTR-UHFFFAOYSA-N 429.248 4.046 5 20 IIBD Cc1sc(Br)c(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1C 799542903 DPIKXGMIKUOQNY-SECBINFHSA-N 427.276 4.220 5 20 IIBD CCOc1cc(NC(=O)NC[C@@H]2CC(c3ccc(C)cc3)=NO2)c([N+](=O)[O-])cc1OCC 800514970 RHKBKJHSAXWSQH-INIZCTEOSA-N 442.472 4.015 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@@H]1CCc2cc(Cl)ccc21 803256148 FUAZMBUKCBUMCD-RBUKOAKNSA-N 448.928 4.330 5 20 IIBD COc1ccc2cc(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)ccc2c1 804306484 DKCIJXAOQSBQHM-QGZVFWFLSA-N 425.466 4.061 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1 806494307 OQQUBGHAPZBHCC-JOCHJYFZSA-N 435.480 4.049 5 20 IIBD CC[C@@H](c1ccccc1OC)N(C)C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 807527758 ZRIGJNVBVVPBOJ-SFHVURJKSA-N 427.501 4.449 5 20 IIBD COc1ccc(CN2CCC(CNC(=O)Nc3cccc([N+](=O)[O-])c3Cl)CC2)cc1 809919244 YKUWYZLOMWJHLF-UHFFFAOYSA-N 432.908 4.291 5 20 IIBD CC(C)(C)C(=O)N1CCC[C@@H](C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 811217284 ZCMZEHANPBUKTC-OAHLLOKOSA-N 431.514 4.046 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(NS(=O)(=O)c2cc(Cl)ccc2Br)c1 811825532 NIIHOSGVBRFWCI-UHFFFAOYSA-N 426.075 4.465 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 813153031 OIRVYQDASCXHIU-GHMZBOCLSA-N 432.304 4.277 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1[N+](=O)[O-] 813305574 IOCUPLPCODDETB-UHFFFAOYSA-N 444.381 4.200 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCN(c3ncnc4sc([N+](=O)[O-])cc34)C2)C1 814373975 AQSSUCGWBZCNKE-GJZGRUSLSA-N 447.561 4.463 5 20 IIBD COc1cc(COC(=O)[C@@H](C)Cc2cnc3ccccc3n2)c([N+](=O)[O-])cc1OC(F)F 815467610 CELVCPBBMIDFPG-LBPRGKRZSA-N 447.394 4.070 5 20 IIBD Cc1ccc2snc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)c2c1 815506689 GTFJPJRLFQFZOW-UHFFFAOYSA-N 439.371 4.327 5 20 IIBD O=C(CCOCC(F)(F)F)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 914461121 LEZNEOWNSGMNGF-UHFFFAOYSA-N 446.765 4.375 5 20 IIBD CC1CCN(c2nnc(SCc3cc(F)ccc3[N+](=O)[O-])n2Cc2ccco2)CC1 915794300 YLXAEVTUAYLPCH-UHFFFAOYSA-N 431.493 4.495 5 20 IIBD C[C@@H]1CCCCN1Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 917696195 LDEJFRXFOLQZOI-GOSISDBHSA-N 438.528 4.058 5 20 IIBD O=C(NCc1nn(-c2ccccc2)c2c1CCC2)c1cc([N+](=O)[O-])ccc1N1CCCCC1 917770841 OAVNZMFTLGMJPF-UHFFFAOYSA-N 445.523 4.190 5 20 IIBD O=C(c1ccc(I)c([N+](=O)[O-])c1)N1Cc2cccc(Cl)c2C1 1121145656 YKDQOCXYZXOMJP-UHFFFAOYSA-N 428.613 4.009 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC(Nc2ccccc2Cl)CC1 1322235511 FPMBGBZJGSOMLN-UHFFFAOYSA-N 425.876 4.151 5 20 IIBD Cc1ccc2[nH]c(C(=O)OC[C@H]3CCCN3C(=O)c3ccccc3[N+](=O)[O-])c(Cl)c2c1 1342558483 GPUQKGXAUXYOIA-CQSZACIVSA-N 441.871 4.500 5 20 IIBD Cc1nc2ccccc2n1Cc1nnc(Cc2ccc([N+](=O)[O-])cc2Br)o1 1345520149 SAOAWOJPIAKHSD-UHFFFAOYSA-N 428.246 4.038 5 20 IIBD CC(C)(C)c1ccc(Cc2noc(-c3ccc(N4C(=O)CCC4=O)c([N+](=O)[O-])c3)n2)cc1 1347033176 YCZJBLWRFGRCDW-UHFFFAOYSA-N 434.452 4.187 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)NC1(c2ccc(NC(=O)C3(F)CC3)cc2)CCC1 1791153936 DPDKERZYVGUCKI-UHFFFAOYSA-N 429.423 4.292 5 20 IIBD Cc1cc(CCCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@]2(C)C[C@@H]2C)c([N+](=O)[O-])cc1F 1799942770 MUAKOUUVIOXTSA-MGWJKKTFSA-N 445.535 4.049 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=CCCC2)n[nH]1 1816703961 LJYLTBXJAWURPJ-GOSISDBHSA-N 441.463 4.182 5 20 IIBD O=C(Cc1cc([N+](=O)[O-])ccc1F)N1CCC([C@@H]2CCCCN2C(=O)C2CCCC2)CC1 1826251681 WGOVBCBIPLGMPH-QFIPXVFZSA-N 445.535 4.086 5 20 IIBD CC1(C)CCC(CC(=O)N2CC3(CCCN3C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)CC1 1845403747 CMQXJVXBSIIJOP-UHFFFAOYSA-N 431.508 4.157 5 20 IIBD O=C(COC(=O)c1ccc(-c2ccccc2)cc1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 10788600 UZCWRHQKULRHFW-UHFFFAOYSA-N 448.431 4.219 5 20 IIBD CCC(=O)Nc1ccc(C(=O)CSc2nc3cc4ccccc4cc3c(=O)n2C)cc1 22253365 OVTMTYWGPOBERQ-UHFFFAOYSA-N 431.517 4.410 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2cc3c(OC(F)F)cccc3[nH]2)cccc1[N+](=O)[O-] 28960172 PFEZXYRDISZYOE-NSHDSACASA-N 433.367 4.170 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H]3CCC[C@@H](C)C3)cc2)cc1[N+](=O)[O-] 33182338 NCTCXIGNYRDKQB-KDOFPFPSSA-N 431.514 4.013 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 57682028 LVXBGRXELVKISP-UHFFFAOYSA-N 439.493 4.087 5 20 IIBD O=C(c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)N1CCc2cc([N+](=O)[O-])ccc21 57835992 RROZYHQKXCDSPR-UHFFFAOYSA-N 447.834 4.252 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 59279601 JPQKTYITNWNWOT-UHFFFAOYSA-N 444.535 4.094 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])NCC1(c2cccc(Br)c2)CCC1 60417384 XAHZAOAOGCPROT-UHFFFAOYSA-N 433.302 4.364 5 20 IIBD CN(C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 64050456 RRIKEZZQWYYGQM-UHFFFAOYSA-N 426.300 4.201 5 20 IIBD COc1ccccc1[C@H](CNC(=O)c1cc(SC)ccc1[N+](=O)[O-])N1CCCCC1 108325170 PYAXLYCYYZMBRP-FQEVSTJZSA-N 429.542 4.282 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 115452878 URDLAZCBOVZKFT-UHFFFAOYSA-N 439.493 4.371 5 20 IIBD CN(C)c1cccc([C@@H]2CCCN2c2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)c1 301576055 ZUOYBFNVLNQZEO-IBGZPJMESA-N 439.903 4.202 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(CNc3cc(Br)ccc3[N+](=O)[O-])cc2)C[C@H](C)O1 301670861 NUFOUNZUNDROIG-KBPBESRZSA-N 448.317 4.219 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2c3c(cccc13)CC2 302900090 QDZCTHYXTRVLLZ-OAQYLSRUSA-N 449.532 4.337 5 20 IIBD O=C(NC1CCCCC1)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 409865135 CLNGYJHPCSYHBE-UHFFFAOYSA-N 437.905 4.112 5 20 IIBD C[C@H](O)[C@](C)(CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Cc1ccccc1 426276135 HSXDOTGLEJWYBH-XOBRGWDASA-N 439.434 4.043 5 20 IIBD COc1cc(C(=O)N2C[C@@H](C)C(=O)N(Cc3ccccc3)c3ccccc32)ccc1[N+](=O)[O-] 430817451 SRIXILGQBWUGLW-QGZVFWFLSA-N 445.475 4.433 5 20 IIBD CC(C)(NC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc([N+](=O)[O-])cc1 431083484 LXHASMJLSSTDDV-UHFFFAOYSA-N 441.513 4.098 5 20 IIBD O=[N+]([O-])c1cccc2ncnc(N3CCC(Nc4cccc(Br)c4)CC3)c12 432943214 GLLQFKQYQWEMOB-UHFFFAOYSA-N 428.290 4.381 5 20 IIBD O=C(c1ccc(OCC(F)(F)F)cn1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 433607184 IOVJYYKPIBOISW-UHFFFAOYSA-N 437.296 4.136 5 20 IIBD O=C(N[C@@H](CC(F)(F)F)c1ccc(Br)cc1)c1ccc(O)c([N+](=O)[O-])c1 436991926 VGBZPDYQSQUYKV-LBPRGKRZSA-N 433.180 4.486 5 20 IIBD C[C@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H](OC1CCOCC1)c1ccccc1 437434082 TWNSEIJIOXHJKW-JTSKRJEESA-N 441.528 4.455 5 20 IIBD O=C(N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)c1cccc([N+](=O)[O-])c1N1CCOCC1 437496716 QNBPMWXIBIYEFF-JCNLHEQBSA-N 449.429 4.126 5 20 IIBD O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 437904230 BFHAHNAHHCFUII-QFIPXVFZSA-N 441.484 4.228 5 20 IIBD CC(C)n1cnnc1-c1ccccc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 439639540 BSNHAHZWOQBRST-UHFFFAOYSA-N 430.262 4.449 5 20 IIBD CC(C)(C)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n(-c2ncccn2)n1 443899845 LMMSGEIYDKAKNE-UHFFFAOYSA-N 434.378 4.139 5 20 IIBD CCOC(=O)c1cc(C(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@@H]2C)cc([N+](=O)[O-])c1 444399985 LYGPPBGDSYCCFS-ORAYPTAESA-N 432.860 4.027 5 20 IIBD O=C(NCCc1ccc(OCc2ccccc2)cc1)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444988851 HZLRTZMIXOKCOS-UHFFFAOYSA-N 445.479 4.092 5 20 IIBD COc1ccc(NC(=O)Cc2noc(CSc3ccc([N+](=O)[O-])cc3)n2)cc1Cl 445381316 VHPARNDLNGWUQZ-UHFFFAOYSA-N 434.861 4.113 5 20 IIBD Cc1c(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cnn1-c1ccc(Br)cc1 446417936 CXRDVFRKKRYTBU-UHFFFAOYSA-N 441.285 4.050 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(-c3ccc(Oc4ccccc4)nc3)no2)c1N1CCOCC1 447252054 QNMDTTLXVCATBN-UHFFFAOYSA-N 445.435 4.336 5 20 IIBD CCN1CC[C@@H](N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2Cc2cccs2)[C@@H](C)C1 461483304 DNPASKFIESIVJR-OXJNMPFZSA-N 440.573 4.130 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(Nc2cccc(C(=O)OC)c2)CC1 462773986 IECPPEBVMBTRTL-SFHVURJKSA-N 439.512 4.053 5 20 IIBD C[C@H](C(=O)N1CCC[C@H]1c1cccs1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464781367 YSKIGICJSLASGO-UZLBHIALSA-N 429.542 4.252 5 20 IIBD CSc1ccc(C(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)cc1[N+](=O)[O-] 465271763 DTLJHJNSNXRLTF-UHFFFAOYSA-N 430.877 4.076 5 20 IIBD O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2O1 465308800 SNHXCBBFCWGFKS-IMAQQZIHSA-N 427.888 4.110 5 20 IIBD COc1ccc(CN(C)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1OC(F)F 467233446 SORSYRIBPVKXIG-UHFFFAOYSA-N 429.807 4.200 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1 467365502 JVCXSHJRBKGNCT-MRXNPFEDSA-N 434.378 4.260 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1 467988542 OEEDTKWIEDXXBR-UHFFFAOYSA-N 441.846 4.352 5 20 IIBD Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 470770965 DKQJDXCJVQZZLM-MJGOQNOKSA-N 438.402 4.494 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)S(=O)(=O)Cc1nnc(-c2ccc(Cl)cc2)n1C 471457179 GLJGLVBZMUMYGO-ZDUSSCGKSA-N 434.905 4.028 5 20 IIBD CC(=O)c1cc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)c(C)nc1C 472788687 KZMHGBPBZHNYLF-UHFFFAOYSA-N 431.246 4.213 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(N2C(=O)CCCC2=O)c1 473653304 GCOWHROVIUNHCA-UHFFFAOYSA-N 427.482 4.391 5 20 IIBD COc1ccc(Br)c(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 477564403 VRDBEMJRCGGHBT-UHFFFAOYSA-N 428.670 4.384 5 20 IIBD COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 480795461 VPZLNOIRTLLIIN-UHFFFAOYSA-N 449.467 4.072 5 20 IIBD CCOc1ccc(-n2c(SCc3c([N+](=O)[O-])ncn3C)nnc2-c2cccs2)cc1 481393967 SLXICWWZQAMNHK-UHFFFAOYSA-N 442.526 4.329 5 20 IIBD Cc1c(CNC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] 481471475 AGVGDQMXNWHBLB-GOSISDBHSA-N 436.295 4.131 5 20 IIBD COC(=O)C[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccc(C(F)(F)F)cc1 482189090 UMKWKKYJYBVIAU-AWEZNQCLSA-N 435.358 4.129 5 20 IIBD O=C(Nc1cccc2c1CN(c1nccs1)C2)c1ccn(-c2ccccc2[N+](=O)[O-])n1 482192539 KODPQKRPSFDFTL-UHFFFAOYSA-N 432.465 4.010 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1 483129540 KEKLYQMKPXZZNN-UHFFFAOYSA-N 447.601 4.454 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1cccc(S(C)(=O)=O)c1 485641393 HBQPNUUCBDIWHZ-UHFFFAOYSA-N 442.518 4.426 5 20 IIBD Cn1cc(-c2csc(NC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])n2)cn1 485904988 IEIGJNMBTKGJRS-UHFFFAOYSA-N 435.465 4.283 5 20 IIBD O=C(Nc1cccnc1OCC(F)F)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 486458470 IIDJDVSSHYSSNP-UHFFFAOYSA-N 429.379 4.465 5 20 IIBD O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)N(c1ccccc1)C1CCCCC1 489126475 BZTUQLUZLFZSBQ-UHFFFAOYSA-N 432.480 4.184 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)N(C)C2CCOCC2)cc1 489927973 GPSNBOALJATCNR-UHFFFAOYSA-N 443.525 4.210 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C)c(S(=O)(=O)C3CCCC3)c2)c1 491061508 RFIHNRYAPOAJID-UHFFFAOYSA-N 432.498 4.271 5 20 IIBD CCOc1cc(NC(=O)N2CCC[C@@H](CN3CCC(C)CC3)C2)c([N+](=O)[O-])cc1OCC 491869909 WQPBNHSCKQRZDQ-SFHVURJKSA-N 448.564 4.368 5 20 IIBD CCCc1[nH]nc(C(=O)Nc2nc(-c3ccccc3)c(Br)s2)c1[N+](=O)[O-] 494681604 LNEOLQMYKMGTPY-UHFFFAOYSA-N 436.291 4.409 5 20 IIBD C[C@H]1[C@H](CO)CCN1C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 495215721 RRQZJIDQPUMNOZ-JSGCOSHPSA-N 437.855 4.092 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCCO)N1CCc2cc(Cl)cc(Cl)c2C1 497731543 BGKSAHJMRWENAC-UHFFFAOYSA-N 427.309 4.185 5 20 IIBD COCCN(c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@@H](C)c1cccc(C(F)(F)F)c1 498985840 VRKBKLCOGNOHNV-ZDUSSCGKSA-N 446.447 4.231 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC1(Cc2ccc(F)cc2)CCOCC1 499268936 DARPUBVMVXMPGE-UHFFFAOYSA-N 444.506 4.202 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccc[nH]2)cc1OC 499351051 MACPBTBVKFBGJY-UHFFFAOYSA-N 443.843 4.467 5 20 IIBD COc1cc(C(=O)NC[C@@H]2CCCC(F)(F)C2)c([N+](=O)[O-])cc1OCc1cscn1 499538362 MZKZIXGESKWLBC-GFCCVEGCSA-N 441.456 4.194 5 20 IIBD CCN(CC)CCn1ccc2cc(NC(=O)c3cc(OC)c(OC)cc3[N+](=O)[O-])ccc21 499911342 BQCBNWTXFXMBEK-UHFFFAOYSA-N 440.500 4.161 5 20 IIBD C[C@H](c1nnc(SCC(=O)c2ccc([N+](=O)[O-])cc2)n1-c1ccc(Cl)cc1)N(C)C 501709158 LJCMDIWRUIQAIS-CYBMUJFWSA-N 445.932 4.427 5 20 IIBD CCCN(CCC)C(=O)c1ccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1 502508485 IXTFJUALCABRPD-UHFFFAOYSA-N 435.484 4.295 5 20 IIBD Cc1cc(NC(=O)CCc2cccc([N+](=O)[O-])c2)nn1CCCOc1ccc(F)cc1 504325860 VXPOIJWFGMDDEY-UHFFFAOYSA-N 426.448 4.279 5 20 IIBD CCOC(=O)c1ccc(F)c(C)c1NC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 505439432 HADCFPVOEOYRLP-UHFFFAOYSA-N 436.461 4.100 5 20 IIBD Cc1nc2cc(CNC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])ccc2n1C1CC1 510779955 QGMWCVGSUKIAKR-UHFFFAOYSA-N 448.401 4.459 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCc3ccc(OC(F)F)c(F)c3)cc2)c(C)c1[N+](=O)[O-] 511168274 GRCZNCVAOLAIKV-UHFFFAOYSA-N 448.401 4.127 5 20 IIBD CCn1ncc2c(C(=O)N(C)CCc3cccc([N+](=O)[O-])c3)cc(-c3ccccc3)nc21 512992583 OOFUEXNYZHPYLF-UHFFFAOYSA-N 429.480 4.341 5 20 IIBD Cn1cc(CN2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 513292858 YSIHXVZLZHULDP-FQEVSTJZSA-N 430.867 4.361 5 20 IIBD COc1ccc(F)cc1[C@@H](C)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 515431897 UTGRWNJWBMNBPG-GHMZBOCLSA-N 429.370 4.439 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 516288077 XGHGKFAMVWWSAU-UHFFFAOYSA-N 425.391 4.026 5 20 IIBD CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)c1cc(SC)ccc1[N+](=O)[O-])C1CC1 517343747 KUJGNNOCZKJSNJ-HXUWFJFHSA-N 428.510 4.096 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccnn1Cc1ccccc1F 518491376 PXLQDRIMABYKSL-UHFFFAOYSA-N 426.451 4.177 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F 519791985 OBIOGHCZAPLYQF-UHFFFAOYSA-N 440.378 4.021 5 20 IIBD CC(=O)Nc1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c(Cl)c1 520225587 KNWWDTMXUXQYBR-UHFFFAOYSA-N 431.754 4.400 5 20 IIBD CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)c1 522564105 YJJHXPHHECCELU-SSEXGKCCSA-N 427.482 4.148 5 20 IIBD C[S@](=O)c1cccc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c1 522877024 QNEQBEKKTMDRSN-NDEPHWFRSA-N 439.280 4.077 5 20 IIBD Cc1ccc(NCCCNC(=O)NCc2ccc(Br)s2)c([N+](=O)[O-])c1 523568186 UQNIEJNCQRDSKR-UHFFFAOYSA-N 427.324 4.029 5 20 IIBD O=C(Nc1ccc(Br)cc1C(F)(F)F)c1cc([N+](=O)[O-])cc2c1OCCO2 531257861 WKXLCVOVGCJCJV-UHFFFAOYSA-N 447.163 4.400 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 532746922 YSGUWGAOBWZRIN-SFHVURJKSA-N 437.265 4.318 5 20 IIBD CC(C)c1ccc([C@@H]2CCCN2C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 535496462 BVIDGOXWGYFISI-SFHVURJKSA-N 427.526 4.273 5 20 IIBD COc1ccccc1C(=O)CNC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 535658432 MYNHVFZEQNRDDW-UHFFFAOYSA-N 443.506 4.132 5 20 IIBD Cc1ccsc1CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 536987974 VBSFLNKFUDGXQH-UHFFFAOYSA-N 447.563 4.475 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 537169900 KQDLENLVUSCJMV-ROUUACIJSA-N 449.617 4.447 5 20 IIBD COc1cc(CNC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])cc1OC 537360944 MPNIZULBBCSXHD-SZNDQCEHSA-N 437.899 4.187 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](c1ccc(Br)cc1)N1CCCC1 537711679 XIDVWHMJMKZGOL-SFHVURJKSA-N 434.290 4.142 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnn(S(=O)(=O)c3cc(Br)sc3Cl)c2)c1 539766942 XWOJQQJZVGXXMW-UHFFFAOYSA-N 448.707 4.173 5 20 IIBD CCC[C@@H](NCc1ccccc1S(=O)(=O)N1CCCCC1)c1cccc([N+](=O)[O-])c1 540168089 CXSNYDHKPDLHAL-OAQYLSRUSA-N 431.558 4.400 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 540288814 GZTFGEQAKKJKMA-MRXNPFEDSA-N 441.793 4.473 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCc1nc(-c2ccc(F)cc2)no1 541270807 RJQCDWCPBDADCT-ZDUSSCGKSA-N 430.461 4.014 5 20 IIBD Cc1cc(I)ccc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F 541585517 BPGRBBKXIYOJBB-SNVBAGLBSA-N 428.201 4.389 5 20 IIBD CN(C)CCOC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 541728848 UJHNVUFKJJXJAS-UHFFFAOYSA-N 435.590 4.060 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CNc2cc(S(C)(=O)=O)ccc2C)cc1OC 541911103 YPPYJIXENVWGNJ-CQSZACIVSA-N 436.530 4.352 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2Cc2nc(Cc3ccccn3)no2)cc1 546254960 OBUBANJRFSOBMM-UHFFFAOYSA-N 438.447 4.407 5 20 IIBD CC(C)c1ccc(C(=O)N2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)cc1[N+](=O)[O-] 561026015 YTWGFEGHPUHYQS-GOSISDBHSA-N 428.489 4.363 5 20 IIBD CCCCOc1ccc(-c2nc(CC(=O)NCc3ccc([N+](=O)[O-])cc3)no2)c(Cl)c1 567963907 SRNLVTPPUKSTOU-UHFFFAOYSA-N 444.875 4.336 5 20 IIBD COc1ccc2oc([C@@H](C)NC(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)c(C)c2c1 578058789 GUVONYFGVDOXQD-CQSZACIVSA-N 425.441 4.323 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CC=C(c2c[nH]c3ncccc23)CC1 603784683 HQNQAZFNNOTUAM-UHFFFAOYSA-N 446.385 4.342 5 20 IIBD C[C@@H](c1cccnc1)N(C)C(=O)c1ccc(C(=O)N(C)[C@@H](C)c2cccnc2)c([N+](=O)[O-])c1 609044188 JGTOOJQCAHIEOY-IRXDYDNUSA-N 447.495 4.051 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1 609428677 SMVASIOTYTVRAR-CYBMUJFWSA-N 441.875 4.249 5 20 IIBD Cn1cnc([N+](=O)[O-])c1N1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 609443502 RDLHXCNXCNRZCL-IBGZPJMESA-N 426.521 4.021 5 20 IIBD Cc1cc(S(=O)(=O)Nc2c(C)c(C(C)(C)C)nn2-c2ccccc2)ccc1[N+](=O)[O-] 609690777 CRWMHKMEGCWVKO-UHFFFAOYSA-N 428.514 4.496 5 20 IIBD CCOC(=O)c1cnn(-c2cccc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)c2)c1C 610039565 LCYZOMFLFUOXRL-UHFFFAOYSA-N 436.468 4.182 5 20 IIBD CCN(C(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-])c1nc(C)cs1 610046811 UJIVWOVBXYFNED-UHFFFAOYSA-N 434.499 4.071 5 20 IIBD COc1cc(C(=O)Nc2nc(C)c(Cc3ccccc3F)s2)cc([N+](=O)[O-])c1OC 610171095 FOHYOUOKDGCUEG-UHFFFAOYSA-N 431.445 4.359 5 20 IIBD C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccccc1NS(=O)(=O)c1cccs1 611112582 UCGDXSYXKHNFMN-GFCCVEGCSA-N 449.485 4.087 5 20 IIBD CS(=O)(=O)c1cccc(Oc2ccc(Nc3ncnc4ccc([N+](=O)[O-])cc34)cc2)c1 611704990 CLANPFLJHFVNRQ-UHFFFAOYSA-N 436.449 4.477 5 20 IIBD CNc1c(C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)cccc1[N+](=O)[O-] 613225191 XRIYVFDVFZDBNP-UHFFFAOYSA-N 429.274 4.079 5 20 IIBD COc1ccc(C(C)(C)C)cc1NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 615091301 ZNOCGBMZOJXDFT-UHFFFAOYSA-N 425.485 4.031 5 20 IIBD O=C(O)c1ccccc1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 615166891 BEFNIVUUGYMRMX-UHFFFAOYSA-N 433.258 4.075 5 20 IIBD C[C@H](C(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1)c1cccc([N+](=O)[O-])c1 617766041 DYAHOPFWRQEHFP-KPZWWZAWSA-N 437.265 4.200 5 20 IIBD O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cc2ccccc2c2cccnc12 642517965 SDXLZEYEBOOLJK-UHFFFAOYSA-N 431.517 4.425 5 20 IIBD C[C@H](NC(=O)COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])c1ccc(Cl)cc1Cl 725937233 OSTLIGBPPIYHTD-QMMMGPOBSA-N 433.194 4.214 5 20 IIBD Cc1c(Cl)cccc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Br 725986106 SCYQHQPUSKLUNQ-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD O=C(OCCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cccn1Cc1ccncc1 726325147 CBPQWZXUPHFCPN-UHFFFAOYSA-N 435.358 4.094 5 20 IIBD Cc1cccc(CC(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 726830294 KMYSOWHFWMJWKZ-CQSZACIVSA-N 425.466 4.140 5 20 IIBD O=C(CN1CCCC[C@@H]1c1nc(-c2ccccc2)no1)Nc1ccc(Cl)c([N+](=O)[O-])c1 726869469 JQTRJQAZAXOFQE-QGZVFWFLSA-N 441.875 4.464 5 20 IIBD O=C(Nc1cc(C(=O)N2CCCCC2)ccc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 726924022 COSGJPTUFOZOHZ-UHFFFAOYSA-N 432.820 4.035 5 20 IIBD CCC[C@@H](NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCc2sccc2C1 727227935 DYPHITSDYISAAE-OAHLLOKOSA-N 436.921 4.185 5 20 IIBD Cc1nc(CC(C)C)sc1C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 727916196 XNZRAWBFSGWFAZ-UHFFFAOYSA-N 445.419 4.373 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@H](C(=O)N(C)C2CCCCC2)C(C)C)cc1SC 728648903 BQMBTRNYDPSKJX-IBGZPJMESA-N 438.546 4.298 5 20 IIBD C[C@H](OC(=O)c1ccccc1OCc1cccs1)C(=O)Nc1cccc([N+](=O)[O-])c1 730618281 PQUPLMHWVPUKEM-AWEZNQCLSA-N 426.450 4.419 5 20 IIBD O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(-c2nc3ccccc3s2)o1 731502142 KUHWWVDRPILBAE-KRWDZBQOSA-N 449.444 4.427 5 20 IIBD CCC(CC)(NC(=O)COc1cc([N+](=O)[O-])c(C=O)cc1OC)c1ccc(Cl)cc1 731626596 BBJUEVOLNCSYAC-UHFFFAOYSA-N 434.876 4.280 5 20 IIBD CCN(CC)[C@@H](CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])c1ccccc1 731916686 HAVMQYURJGROEX-SFHVURJKSA-N 427.473 4.086 5 20 IIBD CC(C)N(Cc1ncc(-c2ccc3c(c2)OCO3)[nH]1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 733982958 YEZVAFIAYYBHMO-BJMVGYQFSA-N 434.452 4.164 5 20 IIBD Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1OCC1CCOCC1 741200552 GOWTZOVKYYVHOD-UHFFFAOYSA-N 440.905 4.163 5 20 IIBD COc1ccc(C2=N/C(=C\c3ccc(Br)cc3Cl)C(=O)O2)cc1[N+](=O)[O-] 743281130 NDMQLKANMDOTLJ-MLPAPPSSSA-N 437.633 4.364 5 20 IIBD C[C@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 745329892 KSTOKOXLYTTXHI-HNNXBMFYSA-N 440.452 4.139 5 20 IIBD CN(CC(=O)OCC(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1[N+](=O)[O-] 745614604 LPVQERIRLXBSQB-UHFFFAOYSA-N 449.488 4.404 5 20 IIBD C[C@@H](OC(=O)[C@H]1SCCc2sccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 745637221 PLUBOGSWBIHCFR-PSLIRLAXSA-N 426.903 4.211 5 20 IIBD COc1cc(C(=O)OCc2cc(Cl)ccc2[N+](=O)[O-])cc(OC)c1Br 746061340 RCPKVMLWWLKALU-UHFFFAOYSA-N 430.638 4.385 5 20 IIBD C[C@@H](OC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C(=O)N[C@H](C)c1ccc2ccccc2c1 746606822 BTDJAWSPQQRBQT-HUUCEWRRSA-N 440.427 4.075 5 20 IIBD Cc1c(CC(=O)OCc2nnc(-c3ccc(Br)cc3)o2)cccc1[N+](=O)[O-] 748478284 QFDQMAOOHGZEAV-UHFFFAOYSA-N 432.230 4.002 5 20 IIBD Cc1c(C(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748612774 DGFBASYAUMAIMI-QGZVFWFLSA-N 443.847 4.026 5 20 IIBD CCOCCOc1c(Cl)cccc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 748638956 XAXHFBQYHGYNFR-UHFFFAOYSA-N 437.836 4.441 5 20 IIBD O=C(COc1ccc(C(=O)c2ccccc2)cc1)OCc1nc2cc([N+](=O)[O-])ccc2o1 751625454 SULVQDBDNPWJJY-UHFFFAOYSA-N 432.388 4.089 5 20 IIBD O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1nc(C2CC2)n(-c2ccccc2Cl)n1 751658002 UMDWMYUEYNJKRC-UHFFFAOYSA-N 439.815 4.205 5 20 IIBD CCOc1cc(C(=O)N2CCC[C@H](N(C)c3ccc(C)cc3)C2)c([N+](=O)[O-])cc1OC 753049844 ZRPTUCAYWVWPEF-SFHVURJKSA-N 427.501 4.052 5 20 IIBD C[C@@H]1C(=O)Nc2cc(C(=O)N(CC3CC3)c3ccc(Cl)c([N+](=O)[O-])c3)ccc2N1C 755260403 TXCXAZMYMOVRRP-GFCCVEGCSA-N 428.876 4.082 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2c(-c3cccnc3)nc3ccccn23)cc1[N+](=O)[O-] 755744868 WVIROVBBZQVPRN-UHFFFAOYSA-N 443.872 4.067 5 20 IIBD Cc1sc(NC(=O)COC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c(C)c1C 756525079 HRAJKWMHWAANDR-UHFFFAOYSA-N 441.303 4.068 5 20 IIBD Cc1cc2oc(=O)cc(COC(=O)Cc3ccc([N+](=O)[O-])cc3Br)c2cc1C 756525252 HQWMAYQXTAAGKP-UHFFFAOYSA-N 446.253 4.366 5 20 IIBD CNC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c(Cl)c1 757942464 DATNEGXWQFLACC-UHFFFAOYSA-N 430.892 4.096 5 20 IIBD COC(=O)c1cc(C(=O)N2CCC[C@H]2c2c(C)nn(CC(C)C)c2Cl)cc([N+](=O)[O-])c1 760069546 FAISBAZFWDYRNS-KRWDZBQOSA-N 448.907 4.173 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(C3=NO[C@@H](c4ccccc4)C3)n2)c(Br)c1 762261249 LAWALHISJACQIK-MRXNPFEDSA-N 429.230 4.197 5 20 IIBD COc1ccc2c(C)c(CCc3nc(Cc4ccc([N+](=O)[O-])c(C)c4)no3)c(=O)oc2c1 762299183 PVFGXYIOSRNAPK-UHFFFAOYSA-N 435.436 4.086 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1COCC[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl 762761684 KIIYLEBVJKTNEU-QXAKKESOSA-N 439.940 4.142 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(CC[C@@H](O)c2ccccc2)c1 762987728 DIMSLWOWDGJDLY-HSZRJFAPSA-N 447.491 4.020 5 20 IIBD COc1ccccc1SCC(=O)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C 764155845 IOCGLUDZTXQOAF-UHFFFAOYSA-N 442.497 4.183 5 20 IIBD C[C@@H](OC(=O)c1cc(I)cc([N+](=O)[O-])c1)c1ncc(C(C)(C)C)o1 766151344 LMKLCCWLVJZCGD-SECBINFHSA-N 444.225 4.403 5 20 IIBD CC(C)(C(=O)O)c1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1 767195919 GDAPBNBNCMOUST-UHFFFAOYSA-N 425.210 4.111 5 20 IIBD C[C@@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1Cl 768881927 MCPGXBMJZMPJAJ-LLVKDONJSA-N 443.934 4.125 5 20 IIBD Cc1sc(CCNc2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])nc1-c1ccccc1 771170228 NMHCOVFTKAWWGR-UHFFFAOYSA-N 428.470 4.390 5 20 IIBD C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 772308948 DQTGTIVDDKAZBR-WCQYABFASA-N 431.411 4.131 5 20 IIBD Cc1nn(Cc2ccc(C(=O)OCc3noc(C4CCCCC4)n3)cc2)c(C)c1[N+](=O)[O-] 773121474 NANLHEGEIXPNEH-UHFFFAOYSA-N 439.472 4.244 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1C 773606178 QSJXLSPZLMBKID-JTQLQIEISA-N 427.276 4.220 5 20 IIBD COc1cc(N2CCC(OC(=O)C3CCC(C(F)(F)F)CC3)CC2)ccc1[N+](=O)[O-] 774116292 HMULDMPRXBHVDP-UHFFFAOYSA-N 430.423 4.484 5 20 IIBD COc1cc(Br)c(N[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1OC 774344888 OHMJYJNSPGKUOG-OCCSQVGLSA-N 425.283 4.167 5 20 IIBD COc1cc(C(=O)Oc2cnc3ccc(Br)cc3c2)c([N+](=O)[O-])cc1OC 774895176 OSVKVYFAQGYVGL-UHFFFAOYSA-N 433.214 4.142 5 20 IIBD O=C(O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1cc(Cl)c2c(c1)OCCO2 776138138 FIOQCKPPUFBLRB-IBGZPJMESA-N 426.812 4.361 5 20 IIBD CSc1cccc(C(=O)NC[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)c1[N+](=O)[O-] 777136345 UYHPBDHASVBECV-MRXNPFEDSA-N 434.823 4.150 5 20 IIBD O=C(NCc1cccc(O)n1)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 777462146 ZMDQRLWDGXRAEM-UHFFFAOYSA-N 446.507 4.085 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])c2nsnc2c1)c1cccc(OCc2ccccn2)c1 777796423 GAERVJWTBLXDBU-CYBMUJFWSA-N 435.465 4.065 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 778331930 WGVDMJAHJSPHGL-CYBMUJFWSA-N 435.839 4.375 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)Cc2ncc(Cl)n2C)c([N+](=O)[O-])c1 778988982 OXXLEJVTQRRKLY-FQEVSTJZSA-N 427.892 4.102 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 781632087 GMBQBJJJWLVISW-UHFFFAOYSA-N 448.819 4.440 5 20 IIBD O=C(N[C@@H]1CC[C@H]2SCCS[C@H]12)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 784466582 DIBVSHATEGOGBQ-MISYRCLQSA-N 430.551 4.283 5 20 IIBD Cn1cc(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 785521476 JTMQUQYJDVTEKO-UHFFFAOYSA-N 435.362 4.212 5 20 IIBD Cc1nc(-c2ccccc2)sc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 790405570 SJAVMZSHACRXBF-UHFFFAOYSA-N 448.482 4.353 5 20 IIBD Cc1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c(Cl)c1 790421562 DZKIOWDAZOPNIU-UHFFFAOYSA-N 441.665 4.423 5 20 IIBD C[C@H](CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)Cc1cccs1 790753370 LXVKNCZAMVBPGF-LBPRGKRZSA-N 438.347 4.365 5 20 IIBD CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)c1cc([N+](=O)[O-])cc(C)c1F 790828203 GRUOFZGVDYDDKD-UHFFFAOYSA-N 429.448 4.319 5 20 IIBD C[C@@H](OC(=O)[C@H]1Cc2ccc(F)cc21)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 796071080 DYDCGTRPTZWSTH-DIFFPNOSSA-N 441.440 4.068 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1OC 798542630 BQHANQNLLDDDAY-LJQANCHMSA-N 445.472 4.207 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)O[C@H](c2ccccc2)c2cccc(F)c2)cc1[N+](=O)[O-] 802064410 PKXOCULSNVOXRJ-HXUWFJFHSA-N 429.425 4.084 5 20 IIBD CC[C@@H](OC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])c1ccc(F)cn1 803045850 KERZFRUHQAYZGB-MRXNPFEDSA-N 426.242 4.022 5 20 IIBD CC1(C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)[C@@H]1c1cccs1 805149595 JWSIOOKWRQCGAK-CQSZACIVSA-N 431.333 4.191 5 20 IIBD CC(C)(C)CCOc1cnccc1CNC(=O)c1cc([N+](=O)[O-])ccc1Br 808428867 SMXWLBQLCGMHSX-UHFFFAOYSA-N 436.306 4.497 5 20 IIBD C[C@H](Cc1cnc2ccccc2n1)C(=O)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 816005496 ONCHOJRQOUXFRN-WAIKUNEKSA-N 428.448 4.444 5 20 IIBD CC(C)(CCCNC(=O)OC(C)(C)C)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 817210691 MUSUIFLYJHGTRP-UHFFFAOYSA-N 433.427 4.427 5 20 IIBD CC(C)(CCCNC(=O)OC(C)(C)C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 817212361 NGBYUNXEGPOZMB-UHFFFAOYSA-N 448.564 4.011 5 20 IIBD O=C(Nc1ccc2oc(CN3CCCC3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 820498111 QEUBAFLQODSAMF-UHFFFAOYSA-N 435.484 4.184 5 20 IIBD Cc1nc(C)c(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])o2)s1 864096924 UVVVSBMCQHMION-UHFFFAOYSA-N 425.879 4.102 5 20 IIBD COc1cc(CCNC(=O)Nc2nc(C)c(-c3ccccc3)s2)c([N+](=O)[O-])cc1OC 915322872 BHGGYLZZZMIXCE-UHFFFAOYSA-N 442.497 4.408 5 20 IIBD CC(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 915562122 BDLUDTGBZVKARN-ZDUSSCGKSA-N 439.449 4.105 5 20 IIBD COc1cc(/C=C(\Cl)c2nc(=O)c3ccc(C(F)(F)F)cc3[nH]2)cc([N+](=O)[O-])c1O 916127822 JSIOGZAOULEEPX-WCIBSUBMSA-N 441.749 4.301 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Oc2ccccc2C(=O)Nc2ccccc2)cc1C 918740914 NYTZSYGXBXABFK-UHFFFAOYSA-N 426.450 4.232 5 20 IIBD COc1cc(CNCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)ccc1OCCO 1116017711 XSHJFXTYLPUGOK-UHFFFAOYSA-N 432.860 4.178 5 20 IIBD C[C@@H](OC(=O)C(C)(C)Oc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1116164422 PXROQYOUBDTVKM-GFCCVEGCSA-N 440.374 4.341 5 20 IIBD CCN(CC)C1CCN(Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)CC1 1116441383 SYAAUKJIDRLSQI-UHFFFAOYSA-N 427.545 4.489 5 20 IIBD O=C(c1csc(Cc2ccc(Cl)cc2)n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1321629530 NQHSJHZBCGTKOV-UHFFFAOYSA-N 442.928 4.258 5 20 IIBD CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1N 1327146310 ONJOZZURNRKZMH-UHFFFAOYSA-N 432.196 4.231 5 20 IIBD O=C(NC1(c2ccc(NC(=O)C3CCC(F)(F)CC3)cc2)CCC1)c1ccc([N+](=O)[O-])[nH]1 1786244673 FANDWSVNQFAITK-UHFFFAOYSA-N 446.454 4.496 5 20 IIBD Cc1ncccc1CCC(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1 1786743731 BGOJQXFOYQMJRB-UHFFFAOYSA-N 447.495 4.007 5 20 IIBD O=C(Cc1cc(F)ccc1[N+](=O)[O-])Nc1ccc(C2(NC(=O)CC3CC3)CCC2)cc1 1792310569 HKIDZAZQGSMEBK-UHFFFAOYSA-N 425.460 4.211 5 20 IIBD CC[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C3)CC1 1802024894 YBIBEQALYCBRLN-BGRQEXKUSA-N 431.508 4.202 5 20 IIBD Cc1cc(CCCC(=O)N2CCCC3(CCN(C(=O)C4CC4)CC3)C2)c([N+](=O)[O-])cc1F 1805823096 FFWYTNCYDWHMNW-UHFFFAOYSA-N 445.535 4.006 5 20 IIBD CC/C=C(\C)C(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])sc2C1 1828257310 ITRPXBFGBCZHEL-BVNVITJOSA-N 440.525 4.033 5 20 IIBD O=C(CC1CCC1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830622145 GICQKFGAADQELO-FQEVSTJZSA-N 431.508 4.157 5 20 IIBD C[C@H](OC(=O)c1ccccc1CSC1=NCCS1)C(=O)Nc1ccccc1[N+](=O)[O-] 9556491 LSIVJGJZVDGGKS-ZDUSSCGKSA-N 445.522 4.115 5 20 IIBD C[C@@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)N1c2ccccc2C[C@H]1C 10722766 TZNIGXMVVANUSM-QZTJIDSGSA-N 440.499 4.064 5 20 IIBD C[C@H](OC(=O)COc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 11112526 JPDAEMRDBJUHKX-JTQLQIEISA-N 446.765 4.216 5 20 IIBD C[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)NCCC1=CCCCC1 11277494 GBNYDMIQCNOFSE-SFHVURJKSA-N 432.520 4.093 5 20 IIBD COc1cc(COC(=O)c2ccc(SC)c([N+](=O)[O-])c2)c([N+](=O)[O-])cc1OC(F)F 12464432 LKOYJCXOLUHWQD-UHFFFAOYSA-N 444.368 4.192 5 20 IIBD O=C(OCCCOC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1cc([N+](=O)[O-])ccc1Cl 18032268 VTKVHKTVHVNZGD-UHFFFAOYSA-N 443.195 4.214 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ccc(C(F)(F)F)nc2O)cc1)c1cccc([N+](=O)[O-])c1 22377876 MLYTYGZKRLFPKM-UHFFFAOYSA-N 447.325 4.186 5 20 IIBD CC(=O)N(c1cccc(Cl)c1)c1nc(COC(=O)c2ccc([N+](=O)[O-])cc2N)cs1 26231757 FVNDHGQRKCMYJJ-UHFFFAOYSA-N 446.872 4.329 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1cc(-c2ccccc2F)on1)c1ccccc1[N+](=O)[O-] 30034454 GGTBVXYIZLAKMI-KRWDZBQOSA-N 441.415 4.202 5 20 IIBD CS(=O)(=O)Cc1ccccc1NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 59013930 KKQJSNZLMPOPNM-UHFFFAOYSA-N 425.466 4.135 5 20 IIBD O=[N+]([O-])c1cccc(OC[C@H](O)CSc2nnc(-c3ccco3)n2C2CCCCC2)c1 61729706 HSRAYCKBKSJLPQ-KRWDZBQOSA-N 444.513 4.484 5 20 IIBD CC(C)NC(=O)Nc1ccc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 64916854 PSTMMOKUIWLROZ-UHFFFAOYSA-N 439.497 4.178 5 20 IIBD O=c1c2cnn(-c3ccccc3[N+](=O)[O-])c2ncn1Cc1ccccc1Oc1ccccc1 71891240 YYLUMIHDLBJZAT-UHFFFAOYSA-N 439.431 4.331 5 20 IIBD COc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1OCc1cn2ccccc2n1 117374521 MHXPZYNBCPNVAA-UHFFFAOYSA-N 432.436 4.011 5 20 IIBD CCc1cccc(NC(=O)CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 216253504 QZRNBMBXVUEFST-INIZCTEOSA-N 447.495 4.094 5 20 IIBD O=C(O)c1cc(C(=O)N[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)cc([N+](=O)[O-])c1 237991400 SBLPZVCPCYZEMD-INIZCTEOSA-N 441.440 4.363 5 20 IIBD O=C(NCc1ccccc1CN1CCCCCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 303497069 LSRVDNRIQFKGBJ-UHFFFAOYSA-N 433.512 4.087 5 20 IIBD C[C@H]1CN(c2ccccc2NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H](C)O1 431790313 WXJZMXRFMNSUCE-BETUJISGSA-N 434.290 4.223 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCc1cc(Cl)ccc1OC(F)F 432184992 JKRBDTKWROAJPU-UHFFFAOYSA-N 437.786 4.093 5 20 IIBD O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)[C@@H]1CCCc2sccc21 433707957 OWPNZGZBIMHJKL-CQSZACIVSA-N 449.535 4.004 5 20 IIBD O=C(NCCc1cnn(-c2ccccc2)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 435946766 BWWDVPXXTQJVLA-UHFFFAOYSA-N 444.441 4.118 5 20 IIBD Cn1ccnc1[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1cccc(F)c1 435950993 UULPCUREHRFKJF-QFIPXVFZSA-N 426.451 4.073 5 20 IIBD CNC(=O)c1ccc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc1Cl 436069884 XTFYJDDBOVCJBT-UHFFFAOYSA-N 441.821 4.225 5 20 IIBD CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1ccc([N+](=O)[O-])cc1Br 437046554 NOZMZFQPKWPLHS-UHFFFAOYSA-N 447.333 4.131 5 20 IIBD O=C(NCc1nc(-c2cccc(Cl)c2)no1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437274228 GRBZMIUQEHCYDC-UHFFFAOYSA-N 426.738 4.247 5 20 IIBD C[C@H](Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-])c1ccc(Cl)cn1 439113768 AFTYJFNUXLDIHS-AWEZNQCLSA-N 438.937 4.381 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 440028423 NCGMMZWCRMLXNX-KBPBESRZSA-N 433.892 4.236 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C 440064696 SRULZQFIQKCDCT-XGINMYPSSA-N 431.876 4.099 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](c1cc(F)ccc1F)c1ccccc1Cl 442357960 BLPKNJGTVOGUHD-IBGZPJMESA-N 445.809 4.371 5 20 IIBD Cc1ccc(-c2nnc(-c3ccc(-c4nc(-c5c([N+](=O)[O-])ncn5C)no4)cc3)o2)cc1 445572387 RMGWTCDAGYOPKY-UHFFFAOYSA-N 429.396 4.071 5 20 IIBD NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1COc1ccccc1Cl 462873310 XPCTYAJGCCIVPY-UHFFFAOYSA-N 447.900 4.087 5 20 IIBD C[C@@H](NC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1)c1cccc([N+](=O)[O-])c1 463272192 IXPSRIUPXRSXBR-YJYMSZOUSA-N 438.311 4.152 5 20 IIBD CCn1c(SCCCS(=O)(=O)c2cccc(C)c2)nnc1-c1ccc([N+](=O)[O-])cc1 463445373 QBCJDVQZVZGZEM-UHFFFAOYSA-N 446.554 4.138 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ccccc1CN1CCc2ccccc21 465037287 ZATKFXFDRHUCQA-UHFFFAOYSA-N 445.475 4.110 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NCCSCc1cccc2ccccc12 465080978 RPQCQYQAANAQID-UHFFFAOYSA-N 438.505 4.111 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CC[C@H](CC(C)C)C3)cc2)cc1[N+](=O)[O-] 465301102 DHSBRYSYHKCYEA-QGZVFWFLSA-N 445.541 4.212 5 20 IIBD CO[C@@H](CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Cl)cc1 466090675 KJMSAPJAFYNXAN-FQEVSTJZSA-N 433.892 4.189 5 20 IIBD Cc1cc(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)ccc1I 466364574 PXBZMMNTSHSHHK-UHFFFAOYSA-N 448.207 4.399 5 20 IIBD CC(C)(C(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1)n1cc([N+](=O)[O-])cn1 466519552 PDIZFSJITOCPMK-UHFFFAOYSA-N 428.386 4.033 5 20 IIBD COc1cc(CNC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)c([N+](=O)[O-])cc1OC 469564840 FLDKFOUEDAAHDM-KRWDZBQOSA-N 427.423 4.023 5 20 IIBD CCO[C@@H](C)c1nc(CN2CCN(C/C(C)=C\c3cccc([N+](=O)[O-])c3)CC2)cs1 470174711 MTVBZMKMYVVGGK-FSEPTYSPSA-N 430.574 4.370 5 20 IIBD CCOc1ccccc1[C@@H](CC(C)C)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 470247434 MCYPWJWLDROZOL-GOSISDBHSA-N 428.485 4.211 5 20 IIBD Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)cc2)cc1 470708248 SUOUEKJCPZVHJC-UHFFFAOYSA-N 428.441 4.269 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)S(=O)(=O)Cc1nnc(-c2ccc(Cl)cc2)n1C 471457178 GLJGLVBZMUMYGO-CYBMUJFWSA-N 434.905 4.028 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 473513574 GDSFESGABLEGPB-VWLOTQADSA-N 432.524 4.064 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H](C)C2CCOCC2)cc1[N+](=O)[O-] 475410225 LMJADASNVOICER-CQSZACIVSA-N 428.510 4.093 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc2nc(C3CC3)sc2c1 478073690 VGQYBCOARJLQKQ-UHFFFAOYSA-N 444.900 4.033 5 20 IIBD COc1ccc(CN(CCc2ccccn2)C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 478165757 JYMJCLKHXJVODI-UHFFFAOYSA-N 439.899 4.466 5 20 IIBD O=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 478560180 NOBSWFYAAFAJKR-JEBQAFNWSA-N 429.263 4.155 5 20 IIBD CCn1c(SCC(=O)N(C)[C@@H](C)c2ccc(F)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 481359729 QHWCUCDZKZJMPE-AWEZNQCLSA-N 443.504 4.324 5 20 IIBD CCn1c(SCC(=O)N(C)[C@H](C)c2ccc(F)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 481359730 QHWCUCDZKZJMPE-CQSZACIVSA-N 443.504 4.324 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](c1ccccc1)c1nc2ccccc2n1C 481416440 PKAYSOQNDJJJIB-DEOSSOPVSA-N 443.507 4.498 5 20 IIBD CCCOc1ccc(CN(CCC)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)cc1OC 481830024 KHTXDJAGHITARP-UHFFFAOYSA-N 426.473 4.321 5 20 IIBD Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 482219284 XQNMFUYSNPUMSE-UHFFFAOYSA-N 441.285 4.050 5 20 IIBD CN(Cc1ccc(F)cc1Br)C(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 482793994 SIHMZTZTOPZWRY-UHFFFAOYSA-N 434.221 4.022 5 20 IIBD CN(CCOc1ccc(Br)cc1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 485095526 KZCJDRIINMYNSH-UHFFFAOYSA-N 445.216 4.110 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 488224741 VXHHVGFWPACFPI-UHFFFAOYSA-N 449.916 4.085 5 20 IIBD COc1c(F)cc(S(=O)(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)cc1[N+](=O)[O-] 488237837 YDFMGHNPKKXXOH-UHFFFAOYSA-N 433.417 4.076 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC(Cc2ccccc2CO)CC1 490359681 CUVHZLXXWNGYAI-UHFFFAOYSA-N 437.521 4.306 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)cc1[N+](=O)[O-] 491497831 ZJWBXGGCHINILK-MRXNPFEDSA-N 439.537 4.300 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccccc2OCCc2ccccc2)cc1[N+](=O)[O-] 493896554 HJXQUNUHNWATAA-GOSISDBHSA-N 447.491 4.341 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1 502585420 CKQHBAQTQOBFRC-UHFFFAOYSA-N 444.491 4.391 5 20 IIBD CC[C@H](NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1OC(F)F 502644582 QDKFFEWNRKMHHX-SFHVURJKSA-N 434.443 4.179 5 20 IIBD O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 503334545 RMEHVFLWTRKJFJ-UHFFFAOYSA-N 433.399 4.037 5 20 IIBD Cc1cc(NC(=O)NCCc2ccccc2[N+](=O)[O-])nn1CCCOc1ccc(F)cc1 504622765 UUFKLMMLOGQFHJ-UHFFFAOYSA-N 441.463 4.072 5 20 IIBD COc1ccc([C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C(F)(F)F)cc1 505408118 IYYOFXDUAMPRPU-MRXNPFEDSA-N 447.207 4.328 5 20 IIBD C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccncc2)cc1 505952185 FULBCNJXGJMHJY-QGZVFWFLSA-N 447.495 4.312 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)cc1[N+](=O)[O-])c1ccccn1 506046112 QOQSRWVAZOCQMY-GHTZIAJQSA-N 447.539 4.066 5 20 IIBD COc1cccc([C@@H](C)N2CCN([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)c1 507766287 KXVHYGSWXKPVME-IAGOWNOFSA-N 437.500 4.093 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N(CCc1ccccn1)Cc1ccncc1 507997556 GZEAIZBHVITOIA-UHFFFAOYSA-N 445.504 4.393 5 20 IIBD NC(=O)c1ccc(SCC(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)c([N+](=O)[O-])c1 508241524 RHIBFFODSDNZTN-UHFFFAOYSA-N 449.916 4.399 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(CC(C)C)CC(F)(F)F 509635518 NPXNTJZXINGWJE-UHFFFAOYSA-N 444.191 4.168 5 20 IIBD COc1cc(CCNC(=O)Nc2cc(Br)ccc2C)c([N+](=O)[O-])cc1OC 509882519 CIILMDYTLVDRFX-UHFFFAOYSA-N 438.278 4.047 5 20 IIBD Cc1nc(COc2ccc(NC(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)cc2)no1 510005889 QBAGOSGAASKXHY-UHFFFAOYSA-N 447.245 4.188 5 20 IIBD CCOc1ccc(C2(CNC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)CCOCC2)cc1 510127623 OATCFKDEALXLEJ-KRWDZBQOSA-N 444.553 4.339 5 20 IIBD COc1cc(CN(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)c([N+](=O)[O-])cc1OC 510554839 SEDTYCCUUACRSH-UHFFFAOYSA-N 428.464 4.206 5 20 IIBD CN(C(=O)c1cccc(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 511613012 WOPVUWTVOGXVSS-UHFFFAOYSA-N 433.468 4.105 5 20 IIBD COc1cc(C(=O)NCCCOC(F)F)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 512286153 RMJHMBICKCRJPD-UHFFFAOYSA-N 430.791 4.408 5 20 IIBD O=C([C@H]1CCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)N1CCSCC1 512658465 UBNVKZFKFCCABU-GOSISDBHSA-N 435.933 4.048 5 20 IIBD Cc1cc(N2C(=O)c3ccccc3C2=O)ccc1C(=O)N1CCCc2c1cccc2[N+](=O)[O-] 513843806 IAUZDSMREYYQOC-UHFFFAOYSA-N 441.443 4.297 5 20 IIBD C[C@@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1cc(F)c(Cl)cc1Cl 515032466 IAJISIFSJIQVAG-LLVKDONJSA-N 442.278 4.029 5 20 IIBD C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 515665399 XQDXPUIJBWZGAP-HZPDHXFCSA-N 435.484 4.375 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCc1cc(Br)ccc1F 518927217 YCSFUTIVNHSTLB-SNVBAGLBSA-N 445.672 4.276 5 20 IIBD C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)c2)C1 520145291 HKCSSOMKQJUWOM-FOIQADDNSA-N 446.525 4.346 5 20 IIBD CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 521040148 GWMAUTSIJBTROG-UHFFFAOYSA-N 431.496 4.041 5 20 IIBD CC[C@H](C)NC(=O)c1ccc(NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)c(C)c1 521356157 PNUJSJIMASLQEZ-HNNXBMFYSA-N 445.541 4.312 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(Oc3ccnc4ccccc34)c2)ccc1O 522367212 MTCCKSFDPOALSE-UHFFFAOYSA-N 437.433 4.442 5 20 IIBD C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 524654144 ROAYGOADTUKZEI-KPZWWZAWSA-N 437.315 4.399 5 20 IIBD COc1cc(C(=O)N[C@@H](C)c2cnn(C)c2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 525562483 LHAUNLDWOKBGSK-LBPRGKRZSA-N 430.848 4.274 5 20 IIBD CCOc1cc(NC(=O)Nc2ccn(Cc3ccccc3)n2)c([N+](=O)[O-])cc1OCC 530344563 MOWGDERJJAGCLD-UHFFFAOYSA-N 425.445 4.281 5 20 IIBD Cc1ccc(NC(=O)C(=O)NCc2ccc([N+](=O)[O-])cc2)cc1OCC1CCCCC1 531083556 SWGUBLPJTPSQTK-UHFFFAOYSA-N 425.485 4.117 5 20 IIBD Cc1ncc2c(n1)CCN(C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)C2 535717199 KHBFLCGYPONJLK-UHFFFAOYSA-N 437.887 4.157 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1Oc1ccccc1Cl 536209803 OIMLOIAQABFQEF-UHFFFAOYSA-N 439.855 4.338 5 20 IIBD CC(C)n1ncc2c(C(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc34)cc(-c3ccco3)nc21 536251915 AIYQPYGJTKVCGG-UHFFFAOYSA-N 431.412 4.309 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CS(=O)(=O)Cc3csc(-c4ccco4)n3)co2)cc1 536304364 ZXMQDEKPDCVHND-UHFFFAOYSA-N 431.451 4.081 5 20 IIBD C[C@H](NCc1ccccc1[N+](=O)[O-])c1cccc(S(=O)(=O)NC2CCCCCC2)c1 536804798 CNBDSEPEAJTJQW-KRWDZBQOSA-N 431.558 4.447 5 20 IIBD COc1cc(C(=O)NCc2cccc(O)n2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 537835578 YPURVVBOTYVWOJ-UHFFFAOYSA-N 429.816 4.080 5 20 IIBD COc1ccc(CN(C(=O)CCn2cc([N+](=O)[O-])nc2C)[C@@H]2CCCC[C@H]2C)cc1OC 539004271 KXLRBBAHZSHZAF-VQIMIIECSA-N 444.532 4.115 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@H](CC2CCCCC2)c2ccccc2)cc1[N+](=O)[O-] 541140348 IBAVNLVFYPTQSZ-LJQANCHMSA-N 425.485 4.370 5 20 IIBD C[C@H](C(=O)N1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1)c1ccc([N+](=O)[O-])cc1F 542553212 PNBRKUKXZVUAOA-HOCLYGCPSA-N 439.443 4.005 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)c1 542751659 PISCUDPTXKZCRA-KRWDZBQOSA-N 441.509 4.225 5 20 IIBD C[C@H](C(=O)Nc1ccnn1Cc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1F 544422817 CURACFNQQLINNU-LBPRGKRZSA-N 447.264 4.483 5 20 IIBD O=[N+]([O-])c1ccccc1-n1ccc(-c2nc(Cc3nc4ccccc4n3C(F)F)no2)n1 545621427 JAJIRLWTPCUOHY-UHFFFAOYSA-N 437.366 4.166 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CC=C(c2cccc(Br)c2)CC1 547233953 WPGRBLMKKYRLRB-UHFFFAOYSA-N 445.269 4.058 5 20 IIBD O=C(N[C@@H]1CCN(c2ccccc2OC(F)F)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 551248502 FAIVYAYOEBYFGP-LLVKDONJSA-N 445.344 4.224 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N1CCC=C(c2ccccc2)C1 552437784 VDADOLBZVANJSM-UHFFFAOYSA-N 434.233 4.129 5 20 IIBD CC1(C)CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H]1c1cccs1 553571782 KDQVCNZHQXHZNG-CQSZACIVSA-N 431.333 4.191 5 20 IIBD CC(C)c1nc(C2CCN(C(=O)c3ccc(N4CCC[C@H](C)C4)c([N+](=O)[O-])c3)CC2)no1 557048359 XQKYHJCUJNCZGD-INIZCTEOSA-N 441.532 4.357 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cnn(Cc2ccccc2)c1 559985744 DIHUBURYZFPWRB-UHFFFAOYSA-N 448.405 4.092 5 20 IIBD COc1ccc(C(=O)Nc2cccc(OCCNc3ccc([N+](=O)[O-])c(OC)c3)c2)cc1 561409690 FRGLKPRPQMQYFP-UHFFFAOYSA-N 437.452 4.355 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@H](C)c2c(F)cncc2F)cc1[N+](=O)[O-])c1ccccn1 561471754 ZTMLGMOCOYDIHR-QWHCGFSZSA-N 427.411 4.327 5 20 IIBD CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 568703973 DFRZKANQUUGMOC-IBGZPJMESA-N 441.454 4.039 5 20 IIBD C[C@@H](SCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(=O)NCCC1=CCCCC1 572318623 QNHMRVAGSSKOFC-OAHLLOKOSA-N 433.530 4.021 5 20 IIBD COc1cnc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c(Br)c1 580305261 VDYCEZUPGGRCDN-UHFFFAOYSA-N 435.259 4.137 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Cl)c(OCCOC)c(Cl)c1 583785033 ITXLKIBKQSRGKT-UHFFFAOYSA-N 449.312 4.290 5 20 IIBD C[C@H](CC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)c1cccc(C(F)(F)F)c1 583833786 DNYODYBYLHLHEU-OAHLLOKOSA-N 449.429 4.092 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3nnc(C4CCOCC4)s3)cc2[N+](=O)[O-])C1 584073284 WZGHEUNCBOBRQU-ZIAGYGMSSA-N 445.545 4.075 5 20 IIBD C[C@@H](C(=O)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1)c1cccc([N+](=O)[O-])c1 584088591 SSHAIUWAAHMEJP-SWWFSWNPSA-N 432.480 4.329 5 20 IIBD C[C@H](c1nc2ccccc2s1)N1CCN(c2ncnc3sc([N+](=O)[O-])cc23)CC1 587024561 ACGGNKVJUJVVRA-GFCCVEGCSA-N 426.527 4.092 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 590550640 LRRYJKTUYHPODI-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD CN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1cc(I)cc([N+](=O)[O-])c1 602761785 UTWOMHFHPNZOKX-AWEZNQCLSA-N 443.628 4.049 5 20 IIBD O=C(Nc1ccc(Cl)cc1)N1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 608812759 DFNQNVVWUWXYPD-UHFFFAOYSA-N 442.859 4.374 5 20 IIBD CC(C)OC(=O)c1ccc(Cl)c(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 608897985 JGVIFKCWDQKSOT-UHFFFAOYSA-N 442.859 4.466 5 20 IIBD CC(C)Oc1ccc(CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c(C(F)(F)F)c1 608943547 LKCHPHCAWVPKMD-UHFFFAOYSA-N 440.374 4.102 5 20 IIBD COc1cc(CCc2cc(NC(=O)c3cc(SC)ccc3[N+](=O)[O-])n[nH]2)cc(OC)c1 609827473 OKYHULQBNAVXDF-UHFFFAOYSA-N 442.497 4.095 5 20 IIBD C[C@H]1CN(Cc2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H](C)O1 610041078 PIUAHNSBVHDPEE-OKILXGFUSA-N 448.317 4.219 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccn([C@@H](C)c3ccccc3)n2)cc1[N+](=O)[O-] 610746190 UUKYSYYDBLIQSF-HNNXBMFYSA-N 426.498 4.281 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccn(-c4ncccc4F)n3)cc2[N+](=O)[O-])C1 611163796 JUIBZVMRHCVQTK-GJZGRUSLSA-N 438.463 4.049 5 20 IIBD O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1CC[C@H](n2cncn2)C1 614439135 DTRVSXIGNMFRDH-AWEZNQCLSA-N 429.889 4.078 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1[N+](=O)[O-] 616408758 DVMFADXYDVMSAQ-GHMZBOCLSA-N 448.385 4.399 5 20 IIBD O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 726541291 ZESDPKKBGUTHHF-ZDUSSCGKSA-N 430.823 4.457 5 20 IIBD CC(C)(C)c1cc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n(-c2ccc(F)cc2)n1 727248086 CGIURDPMJFSBJO-UHFFFAOYSA-N 436.440 4.157 5 20 IIBD O=C(COc1ccc(C2SCCCS2)cc1)OCCOc1ccc([N+](=O)[O-])cc1 728722572 FEWHSPNHPUYVOE-UHFFFAOYSA-N 435.523 4.465 5 20 IIBD O=C(N[C@H](c1ccc(Cl)cc1)C1CCC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 729657074 IEPKFVZHRIJJLS-NRFANRHFSA-N 429.904 4.356 5 20 IIBD CCOC(=O)/C(=C\c1ccc(OC)c([N+](=O)[O-])c1)c1nc(O)c2c(C)c(C)sc2n1 730151538 MKPOTGOMYPZFRO-JYRVWZFOSA-N 429.454 4.034 5 20 IIBD COc1cc(C2(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CCCC2)ccc1C 731084343 HNCUXYOXUPHBJB-UHFFFAOYSA-N 426.469 4.214 5 20 IIBD O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(-c2ccccc2Cl)o1 731504326 JNBWKXGMBFYCSC-SFHVURJKSA-N 426.812 4.471 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(CSc2ccccn2)c1 733425658 DLJIVDQAKWUNIS-OAHLLOKOSA-N 437.477 4.466 5 20 IIBD COc1cc(-c2nc(COC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)cs2)ccc1O 733451980 TWEHUBMKTVKMFD-UHFFFAOYSA-N 445.409 4.006 5 20 IIBD CC(=O)N1CCC(COC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 734887247 CDQNXXKQJUUNKC-UHFFFAOYSA-N 428.510 4.470 5 20 IIBD O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 735025922 AISAMVRERLMFQW-MUUNZHRXSA-N 440.518 4.116 5 20 IIBD C[C@H](OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC(F)(F)F)cc1 736877294 WIBRNPNONGLDIJ-VIFPVBQESA-N 432.738 4.331 5 20 IIBD Cc1ccccc1-n1cnn(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1=S 743390835 NCHRPPLKENGWLQ-UHFFFAOYSA-N 425.514 4.121 5 20 IIBD CC(=O)NCCCc1ccc(-c2csc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])n2)cc1 745372348 HHOUQNUZNVMYLJ-UHFFFAOYSA-N 442.472 4.178 5 20 IIBD CCc1ccc(C(=O)Nc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)cc1[N+](=O)[O-] 746512721 WVMNJTAFKNYRQP-UHFFFAOYSA-N 432.502 4.159 5 20 IIBD C[C@@H](OC(=O)c1ccn(-c2ccccc2Cl)n1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 747944858 QGEXSHDGTWIGAM-GFCCVEGCSA-N 439.815 4.402 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1 748071306 KQURFFJEKYPWNJ-CABCVRRESA-N 447.532 4.053 5 20 IIBD CC(C)c1ccc(-c2nc(CS(=O)(=O)C[C@@H](O)c3cccc([N+](=O)[O-])c3)cs2)cc1 749703921 JKGLNECZBMZVET-HXUWFJFHSA-N 446.550 4.490 5 20 IIBD COc1ccc2cc(CN(C)C(=O)COC(=O)c3cccc(Cl)c3[N+](=O)[O-])ccc2c1 750541476 NLYVUJIBAXIZIJ-UHFFFAOYSA-N 442.855 4.225 5 20 IIBD C[C@H](OC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl 750963919 JRUBGSSISCFGCW-VIFPVBQESA-N 427.638 4.195 5 20 IIBD Cc1c(C(=O)Nc2ccnn2[C@@H]2CCCc3ccccc32)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 751109454 XHAPDIGQIXRYTA-GOSISDBHSA-N 435.440 4.494 5 20 IIBD C[C@H](NC(=O)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2)c1ccc(Cl)cc1Cl 751214739 BOIIKVPTIANXAX-QMMMGPOBSA-N 442.211 4.072 5 20 IIBD Cc1cc(Br)ccc1CC(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 763018180 FOTGFBSGGDRBTJ-UHFFFAOYSA-N 448.317 4.063 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CNC2(c3ccccc3)CCOCC2)c1=S 764122292 WSRSPYTVUBXZIF-UHFFFAOYSA-N 439.541 4.262 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)OCc1ccc(Oc2ccccc2)nn1 766121096 RLJVSPVMWUJQJG-UHFFFAOYSA-N 444.241 4.226 5 20 IIBD C[C@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)cc1 766998728 TUBKPDFBKHUFPR-JTQLQIEISA-N 441.665 4.296 5 20 IIBD C[C@@](O)(C1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C(F)(F)F 767211908 ISXPLKPZBQPVFJ-CYBMUJFWSA-N 431.289 4.052 5 20 IIBD COc1ccccc1Cc1nnc(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)o1 768353586 ZLLZPHLKFWCXOR-LLVKDONJSA-N 448.888 4.350 5 20 IIBD CCOc1cc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c([N+](=O)[O-])cc1OCC 768963319 VSTRVOOYQYXCPC-UHFFFAOYSA-N 444.444 4.497 5 20 IIBD O=C(c1ccc(Cl)c(N2CCNC2=O)c1)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 769679868 QELWJSVYDXHWAZ-UHFFFAOYSA-N 449.294 4.488 5 20 IIBD O=C(OCc1nnc(-c2ccccc2Cl)o1)c1cc(Br)cc([N+](=O)[O-])c1 770542046 KSKUDSZCDNAICA-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD C[C@@H](Cc1ccco1)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 772476010 UAQIUCUSLKYSJU-LBPRGKRZSA-N 431.495 4.086 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cc(N3CCCC3=O)cc(C(F)(F)F)c1)CC2 773995317 FLBDUZXIQQDSEN-UHFFFAOYSA-N 433.386 4.252 5 20 IIBD CC(C)(c1ccccc1)c1nnc(NC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)s1 778266316 YPHSFDIIVOXNRF-UHFFFAOYSA-N 426.483 4.029 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCC2(CC1)OCCc1ccsc12 778987782 VXUXKKOJNKDXTB-UHFFFAOYSA-N 441.553 4.351 5 20 IIBD O=C(COc1ccc(Oc2ccccn2)cc1)O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 780435198 AXTHGBPWPSLMRU-OALUTQOASA-N 438.440 4.085 5 20 IIBD CC(C)Oc1cccc([C@H](C)OC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c1 781669158 BZWKCIRBZOPTMW-WMLDXEAASA-N 432.498 4.353 5 20 IIBD CC(C)COC(=O)Nc1cccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 783905547 WWEDXLRTUSLXNE-UHFFFAOYSA-N 434.836 4.030 5 20 IIBD COc1ccc(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1OC1CCCC1 787395071 LLRDHDJYLCTAEA-UHFFFAOYSA-N 427.457 4.220 5 20 IIBD COc1cc(C(=O)Nc2nc3ccc(C(C)=O)cc3s2)c([N+](=O)[O-])cc1OC(F)F 788499229 SEIHXEJEYOLGBH-UHFFFAOYSA-N 437.380 4.269 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@H]1C[C@@H]1c1cccc(Br)c1 790550352 AIITUFGHPYEUFL-IUODEOHRSA-N 427.657 4.365 5 20 IIBD CC(C)(C)c1cc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])n(-c2ccccn2)n1 790906845 XCFJCPCHWVQNCP-UHFFFAOYSA-N 431.855 4.447 5 20 IIBD CC(C)(C)OC(=O)N1CC=C(CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 794171988 CYVXYFDATQKRSN-UHFFFAOYSA-N 431.514 4.497 5 20 IIBD CO[C@@H]1CCC[C@@H](CC(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 796071135 XAUVOKLABHNSJU-OUCADQQQSA-N 432.395 4.079 5 20 IIBD Cc1c(NC(=O)CCN(Cc2ccccc2)C[C@@H](O)c2ccccc2)cccc1[N+](=O)[O-] 796363939 QXKDTEGOUIKCGW-XMMPIXPASA-N 433.508 4.468 5 20 IIBD COc1ccc(-c2nccnc2NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 798241857 NHTUOZCMGUSRPM-UHFFFAOYSA-N 429.230 4.075 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 801936805 ZDOSANGCDKZSFD-UHFFFAOYSA-N 433.268 4.099 5 20 IIBD CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)c3ccc([N+](=O)[O-])cc3F)cccc21 805307778 PLRFPHYFDFMSHI-UHFFFAOYSA-N 429.448 4.352 5 20 IIBD O=[N+]([O-])c1ccc(N2CCOCC2)c(-c2nc(-c3ccc(C(F)(F)F)c(F)c3)no2)c1 809296618 CWTJCBOYLUSVBM-UHFFFAOYSA-N 438.337 4.306 5 20 IIBD COc1cc(Br)ccc1OC(=O)c1cc([N+](=O)[O-])ccc1Br 809299818 MBZBXXLDNLUOFN-UHFFFAOYSA-N 431.036 4.348 5 20 IIBD CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1Cl 813245666 VZNSOQNYPXDYCV-QGZVFWFLSA-N 428.876 4.052 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 815847483 OWMCHQSOJKEYKP-KBXCAEBGSA-N 426.366 4.481 5 20 IIBD COCc1ccccc1/C=C(/C)COC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 816188514 COLDSOPYWAGQSM-NZHZHZHDSA-N 444.509 4.054 5 20 IIBD O=C(CSc1nc2ccccc2s1)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 914797593 PDUNFMDIYNMHMC-UHFFFAOYSA-N 428.451 4.090 5 20 IIBD C[C@H]1CCCCN1Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 918585270 RRYILDRTILVGAR-IBGZPJMESA-N 436.556 4.499 5 20 IIBD CCOc1ccc([C@@H]2CCCN2C(=O)COC(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc1 918814573 BILLWRRLOMLZGZ-SFHVURJKSA-N 444.509 4.236 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 918903110 DXVUSZMQSKSMND-FQEVSTJZSA-N 440.496 4.421 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 921153594 IYRFNRSPYSRKIB-CQSZACIVSA-N 440.456 4.387 5 20 IIBD CCCN(Cc1nc(O)c2sccc2n1)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 1116235330 RTYJNQMQGHVVQA-ZDUSSCGKSA-N 429.502 4.296 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCCN(C(=O)CCNc3ccccc3[N+](=O)[O-])C2)CC1 1116711689 YJBKKEZTSGHWOK-UHFFFAOYSA-N 446.548 4.037 5 20 IIBD CC(C)c1ocnc1CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(F)c(F)c1 1319975800 CBTNZBVLZNSFHI-UHFFFAOYSA-N 437.424 4.380 5 20 IIBD Cc1ccc(CN2CCCC2)cc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1N 1321256547 AIZIMBZUOBKRCQ-UHFFFAOYSA-N 433.306 4.096 5 20 IIBD CC(C)(C)OC(=O)C1(NC(=O)c2cc([N+](=O)[O-])ccc2Br)CCCCC1 1349802782 JAVGWPJFCZOQLN-UHFFFAOYSA-N 427.295 4.132 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccc([N+](=O)[O-])o4)cc3)CCC2)ccn1 1786207345 BTQZGCYQQFVRTM-VQHVLOKHSA-N 446.463 4.352 5 20 IIBD CC[C@H]1CC[C@H](C(=O)NC2(c3ccc(NC(=O)c4nc[nH]c4[N+](=O)[O-])cc3)CCC2)CC1 1788613515 QOFVXDVTUVGNFN-WKILWMFISA-N 439.516 4.282 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@@H]3C[C@]3(F)Cl)CCC2)cc1)c1ccc([N+](=O)[O-])cc1F 1790624131 BTLJNGMPGWMZCP-HRAATJIYSA-N 449.841 4.406 5 20 IIBD CCCCC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1cc(F)ccc1[N+](=O)[O-])C2 1801717197 RWSJGRXHIKNDCE-QLIIJSOBSA-N 433.524 4.131 5 20 IIBD C/C=C(/C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(C)c([N+](=O)[O-])c2)CC1 1831348443 JLVQJFWKQDELKF-FUYMZIHESA-N 427.545 4.032 5 20 IIBD CC[C@@H](C(=O)N1CCCC12CN(C(=O)c1c(F)ccc([N+](=O)[O-])c1C)C2)c1ccccc1 1842619926 XADPSRFVLBZBFR-GOSISDBHSA-N 439.487 4.053 5 20 IIBD C[C@@H](OC(=O)c1cc(Cl)cc(Cl)c1N)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 10960704 YAXDDJTWXABOSB-SSDOTTSWSA-N 432.647 4.321 5 20 IIBD COc1cc(CCNC(=O)c2cc3c(s2)-c2ccccc2CC3)c([N+](=O)[O-])cc1OC 11080561 ABRPGKSJKCOHKD-UHFFFAOYSA-N 438.505 4.412 5 20 IIBD Cc1nc2ccccc2c(C)c1CC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 11196061 VRSZQGFLUPCGPE-UHFFFAOYSA-N 427.844 4.138 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc([N+](=O)[O-])c1 14707242 HDFQMXOVAPZIPE-UHFFFAOYSA-N 433.392 4.426 5 20 IIBD O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCc1cc(-c2cccs2)on1 15350190 QUUKFLZZEDZOFK-UHFFFAOYSA-N 427.360 4.485 5 20 IIBD Cc1ccc(F)cc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 15591878 WVDUENHCQVJRMF-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD CCOc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])o1 18589878 CHZKAJGQCXOHPM-GFCCVEGCSA-N 444.469 4.171 5 20 IIBD Cc1ccc(C)c(OCc2nnc(SCCC(=O)Nc3ccccc3[N+](=O)[O-])o2)c1 26370720 VYGFYOPFNVHXCG-UHFFFAOYSA-N 428.470 4.295 5 20 IIBD O=C(Cn1c(COc2ccccc2)nc2ccccc21)N1CCc2ccc([N+](=O)[O-])cc21 29889062 NSMUWLSQIBUDDT-UHFFFAOYSA-N 428.448 4.113 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nc2ccccc2c1=O 36792011 GUFNHOVLKBZZJA-NSHDSACASA-N 432.889 4.097 5 20 IIBD Cc1ccc([C@H](CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])N2CCCC2)cc1 61502399 DSMZYCAJEMIDRG-UZLBHIALSA-N 431.920 4.277 5 20 IIBD CSc1ccccc1NC(=O)CN(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 64906675 AXLZMLCWGHPKPD-UHFFFAOYSA-N 442.522 4.151 5 20 IIBD CN(C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C(C1CC1)C1CC1 64975105 UBJNUPXZSTVRIZ-UHFFFAOYSA-N 425.451 4.477 5 20 IIBD CCN(Cc1ccc2c(c1)OCO2)C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 69782345 JFEHDJSBRAJNMS-UHFFFAOYSA-N 442.415 4.483 5 20 IIBD Cc1cccc(Nc2nnc(S[C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)s2)c1 78768041 DBFKQEPFVDEXME-MRXNPFEDSA-N 427.511 4.396 5 20 IIBD COc1cc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2OC)ccc1OCc1ccncc1 107995361 FQVMVDGBOBXTAG-HNNXBMFYSA-N 437.452 4.077 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(SC(F)F)cc2)ccc1[N+](=O)[O-] 110311950 YXTSCSSXSPSEKS-KRWDZBQOSA-N 435.452 4.461 5 20 IIBD C[C@@H](NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1nnnn1-c1ccccc1 237406502 CIWPWOIDZSXOMZ-OAHLLOKOSA-N 434.431 4.353 5 20 IIBD CCc1cc(N2CCC(NC(=O)c3ccccc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 301078185 FANRWADAVPXZSP-UHFFFAOYSA-N 431.496 4.013 5 20 IIBD COc1ccc(-c2nnc(Sc3ccc([N+](=O)[O-])cc3F)[nH]2)cc1Br 302690189 RKDKOANUCHHTFO-UHFFFAOYSA-N 425.239 4.441 5 20 IIBD Cc1nc2sccn2c1CN(C)C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 426700267 PIYYOOGVATZLOY-UHFFFAOYSA-N 436.493 4.464 5 20 IIBD Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)COc3ccc([N+](=O)[O-])c4cccnc34)cc2)n1 428019216 ZBKJDJOUASYSSQ-KRWDZBQOSA-N 445.479 4.202 5 20 IIBD Cc1ccc([C@H](C)NC(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)cc1[N+](=O)[O-] 428819070 QVTANEYGWLKSNZ-JFJYTDJESA-N 429.492 4.176 5 20 IIBD CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)cc1 430417833 VSGPRUIJHMRDIB-INIZCTEOSA-N 428.489 4.033 5 20 IIBD COCCCn1c(C)cc(C(=O)COc2c(Br)cccc2[N+](=O)[O-])c1C 431242735 PUIYCCLGKYPIKH-UHFFFAOYSA-N 425.279 4.074 5 20 IIBD CO[C@@H](C)c1nc(CN2CCCN(c3ccnc4c([N+](=O)[O-])cccc34)CC2)cs1 432334014 DUSXNMQCDGQRQR-HNNXBMFYSA-N 427.530 4.019 5 20 IIBD Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c(OCC(F)(F)F)c1 432485473 LFURGYMRCKIAQB-UHFFFAOYSA-N 435.358 4.410 5 20 IIBD O=C(Cc1cc(Cl)ccc1Br)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 434009284 WRFPHLJHWPTMSJ-UHFFFAOYSA-N 441.665 4.353 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ncc(Cc2ccccc2F)s1 434924121 RDCQLHPDJIXLLD-UHFFFAOYSA-N 438.440 4.347 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)[C@@H]1CCCN(C(=O)C2CC2)C1 435443278 NCLLCOHJAQDTBW-CQSZACIVSA-N 431.539 4.395 5 20 IIBD Cc1ccc(Cc2sc(NC(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)nc2C)cc1 441919485 ZCAMWOCXTVEWBC-UHFFFAOYSA-N 440.529 4.324 5 20 IIBD CC(C)CN(C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCc2cccnc21 441964079 UKHPYRBEFFPWNI-GOSISDBHSA-N 430.892 4.144 5 20 IIBD Cc1sc(S(=O)(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)cc1[N+](=O)[O-] 443412790 CUDVHFADLZMNFW-UHFFFAOYSA-N 430.813 4.360 5 20 IIBD C[C@@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1noc(Cc2ccccc2)n1 444191678 XYHSRRORKTWJTM-CQSZACIVSA-N 442.450 4.285 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Nc2ncccn2)cc1 444639251 YUJOBCVSKIKDTD-UHFFFAOYSA-N 425.470 4.119 5 20 IIBD COc1cc([C@@H](C)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)ccc1OCc1ccncc1 444686965 FHPINLOSELZZNL-OAHLLOKOSA-N 433.468 4.305 5 20 IIBD O=C(Cc1noc([C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)n1)NCc1ccc([N+](=O)[O-])cc1 445731661 IQJOZKKGCOJBBD-HUUCEWRRSA-N 447.278 4.415 5 20 IIBD CS(=O)(=O)[C@@H]1CCCCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 446849371 XQESLVRONBNCGS-GOSISDBHSA-N 438.933 4.440 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](c1ccc(Cl)cc1)c1noc(C)n1 462606933 NBSNBMNYYRVQBG-KXBFYZLASA-N 428.876 4.414 5 20 IIBD O=C(NCCc1nc2ccccc2n1C(F)F)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 463828495 CCPXMJZGJAHJBT-UHFFFAOYSA-N 428.317 4.331 5 20 IIBD NC(=O)c1ccc(SCC(=O)N2Cc3ccccc3C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 464215579 NCMSYSLZHLOKII-HXUWFJFHSA-N 447.516 4.112 5 20 IIBD O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1Cc2ccccc2C[C@H]1c1ccccc1 464220841 INRBTDUJKBEPLG-QFIPXVFZSA-N 425.448 4.115 5 20 IIBD O=[N+]([O-])c1ccc(CNCc2cc(Br)c3c(c2)OCCCO3)c(Cl)c1 466448529 HHFPJGBMLZSXHD-UHFFFAOYSA-N 427.682 4.462 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 466508868 RRZANJLLGGGPLU-UHFFFAOYSA-N 444.447 4.004 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(Br)c(F)cc2F)cc1OC 467028374 IGFQKRAAMUHIDT-UHFFFAOYSA-N 431.189 4.295 5 20 IIBD CC(C)c1nc2ccc(NC(=O)c3ccc(N4C(=O)CCC4=O)c([N+](=O)[O-])c3)cc2s1 469375024 JHQIKRZFSKGNEH-UHFFFAOYSA-N 438.465 4.234 5 20 IIBD C[C@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1cccc(Cl)c1Cl 469413528 HCDAKTUYXDRANH-JTQLQIEISA-N 436.251 4.046 5 20 IIBD Cc1ccc(C(F)(F)F)cc1NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O 470215631 WVXWJYDUDRZWRI-UHFFFAOYSA-N 432.358 4.029 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC(C)(C)c1ccc(C(F)(F)F)cc1 471019230 RJAOTILDDAMACE-UHFFFAOYSA-N 437.418 4.263 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@@H](C)C2CCOCC2)c([N+](=O)[O-])c1 474780119 MKPBVUMJRRRQCO-INIZCTEOSA-N 433.530 4.037 5 20 IIBD CN(Cc1ccccc1N1CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 475208322 OMDYEZVVVRQCMJ-UHFFFAOYSA-N 438.406 4.114 5 20 IIBD CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)[C@@H]1c1ccc(OC)cc1 475292089 DBNYPXGMUIBQTD-AVRDEDQJSA-N 440.500 4.025 5 20 IIBD COCCN(C(=O)c1cccc([N+](=O)[O-])c1OC)[C@H](C)c1cccc(C(F)(F)F)c1 475384479 WELHWYLMVCPMFF-CYBMUJFWSA-N 426.391 4.472 5 20 IIBD COC(=O)COc1ccc(CN2CC=C(c3c[nH]c4cc(F)ccc34)CC2)cc1[N+](=O)[O-] 475569905 YDJXAWLJGKKUNC-UHFFFAOYSA-N 439.443 4.056 5 20 IIBD Cn1cc(CN[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 478272085 IKFFBTATBXJYIR-MRXNPFEDSA-N 429.883 4.156 5 20 IIBD CC(C)n1c([C@H]2CCCN2S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)nc2ccccc21 481444950 HSUDHIVEWFWQEQ-HXUWFJFHSA-N 428.514 4.192 5 20 IIBD C[C@H]1c2nncn2CCN1C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 481762239 MHKQXXFUCLVCBP-LBPRGKRZSA-N 429.889 4.208 5 20 IIBD CC(C)(O)CCNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 482037657 DTPIEZUNDVIELL-SSZFMOIBSA-N 425.510 4.412 5 20 IIBD Cc1ccc(CN2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3SCC(C)C)C2=O)cc1 483097339 ANDSTHBIRKISRH-HXUWFJFHSA-N 441.553 4.182 5 20 IIBD CNC(=O)c1cc(Oc2cc(C)ccc2NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccn1 483105405 PHQLIKPLKSAEHP-UHFFFAOYSA-N 446.419 4.449 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 483599150 ZMSJEAPMQBNOHH-UGKGYDQZSA-N 427.932 4.304 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(c2ccccc2C)CCOCC1 483721653 IMZISTFQAFMTRS-UHFFFAOYSA-N 444.553 4.120 5 20 IIBD COc1ccc(CS(=O)(=O)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1Br 485332584 RBPBPEILWTZUHS-LBPRGKRZSA-N 428.304 4.350 5 20 IIBD COc1cccc(Oc2ncccc2CNC(=O)c2cccc(SC)c2[N+](=O)[O-])c1 486228661 JHVNXZBPMAYUBX-UHFFFAOYSA-N 425.466 4.443 5 20 IIBD COC(=O)c1cc(C)nc(N2C[C@@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] 488714305 ULDPLYFZQGXPPA-WBMJQRKESA-N 439.390 4.070 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(CCN2CCSCC2)cc1 489471655 CQAAWPJJFXAYLY-INIZCTEOSA-N 431.583 4.305 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)cc1SC 490188729 XAVXCJVTRGVNTO-LBPRGKRZSA-N 436.559 4.266 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2cc(C)[nH]n2)cc1 490368269 OQULWRIHTHFZQD-UHFFFAOYSA-N 428.470 4.409 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCC2(c3ccccc3Cl)CC2)ccc1[N+](=O)[O-] 490772677 WYDYOMDZFWTVKX-HXUWFJFHSA-N 441.915 4.009 5 20 IIBD Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3F)cc2)c1[N+](=O)[O-] 490793018 KWIFJSLVDKHFFX-UHFFFAOYSA-N 447.419 4.235 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2c(C)cc(Br)cc2C)cc1[N+](=O)[O-] 494019965 WORIOLYXSRGBBI-CYBMUJFWSA-N 434.290 4.098 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 494517543 ZSUBEKXQHVVZQB-CQSZACIVSA-N 429.860 4.257 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@H]1c2ccccc2CC[C@H]1n1ccnc1 494550127 UAXKGXJZNBXFBM-PKTZIBPZSA-N 433.512 4.342 5 20 IIBD COc1cccc(CNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1OC 496752845 MFNKFTXMEYFZCN-UHFFFAOYSA-N 430.404 4.039 5 20 IIBD COc1ccc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1OCc1cccnc1 497967074 MVUALBXOHYUIPA-UHFFFAOYSA-N 432.436 4.171 5 20 IIBD Cc1nc(-c2ccc([C@@H](C)NS(=O)(=O)CCc3ccccc3[N+](=O)[O-])cc2)cs1 500836571 XMZBTJSVMFSNOT-CQSZACIVSA-N 431.539 4.250 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)cc1[N+](=O)[O-] 501438701 UPYLIDCDGFBSRY-FQEVSTJZSA-N 444.896 4.171 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCSc3ccc(Cl)cc32)cc1OC 501700869 SBFWGMARUFMDER-UHFFFAOYSA-N 438.889 4.035 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(CNc3ccc([N+](=O)[O-])cc3OC(F)F)cc2)C[C@H](C)O1 509027813 BGKFSZXFRVZPGN-KBPBESRZSA-N 435.427 4.058 5 20 IIBD CCOc1cc(F)ccc1NC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 510536270 ZLZQUXDGSKSHSR-QGZVFWFLSA-N 433.436 4.337 5 20 IIBD O=C(Nc1cc2ccc(Br)cn2n1)c1ccc([N+](=O)[O-])cc1Br 511386102 WITJMRPBJLBNFP-UHFFFAOYSA-N 440.051 4.020 5 20 IIBD CCc1nc(CN2CCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])CC2)cs1 511685957 DTGZYNQPBNNTGH-UHFFFAOYSA-N 436.537 4.167 5 20 IIBD COc1cc(CN2CCC(OC3CCCC3)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F 512624242 WKPQAXJSVDRFIK-UHFFFAOYSA-N 432.439 4.468 5 20 IIBD C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 513837497 BGZQXQLGSBADTI-MRXNPFEDSA-N 438.505 4.499 5 20 IIBD CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 516587526 YKRBGWBHUOOWEN-UHFFFAOYSA-N 443.891 4.463 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2ncccc2C)c([N+](=O)[O-])c1 519156636 ZIYXXKURCYBVGF-UHFFFAOYSA-N 426.498 4.126 5 20 IIBD COc1ccc([C@H](C)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])cc1 519887227 APHYIGBXCGSDEW-INIZCTEOSA-N 433.530 4.341 5 20 IIBD Cc1nc(CN(c2ccc(F)cc2)S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cs1 519892297 XBUDFJYGPHJZAM-UHFFFAOYSA-N 425.438 4.033 5 20 IIBD COc1cc(C(=O)NC[C@H]2CCC[C@H](O)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 521921186 SITSZKNIJBIOTE-BBRMVZONSA-N 434.876 4.330 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cc2nnc3ccccn23)cc1 530834535 QYSPUMYUBSOTNF-UHFFFAOYSA-N 430.468 4.059 5 20 IIBD CCCN([C@@H](C)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] 532853438 GJFQSRCJOBFICH-NSHDSACASA-N 435.333 4.280 5 20 IIBD Cc1c(NC(=O)[C@@H](C)N(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)cccc1[N+](=O)[O-] 532957911 QGTABRAAHWZIJV-MRXNPFEDSA-N 439.491 4.324 5 20 IIBD COc1cc(CN(C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c(SC)cc1OC 532970839 ZTRZTLPBWSKTNS-UHFFFAOYSA-N 433.530 4.103 5 20 IIBD Cc1nc2c(s1)[C@@H](N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)CCC2 533523743 SPEAPEKPSGGTMX-HNNXBMFYSA-N 439.335 4.070 5 20 IIBD O=C(c1cnc2ccc(F)cc2c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 534649745 WNJVWOMUTCBYNY-UHFFFAOYSA-N 448.376 4.263 5 20 IIBD Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 534700537 KVZOLAVZSLJLRM-SFHVURJKSA-N 447.491 4.341 5 20 IIBD O=C(c1cccc([C@H]2CCOC2)c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 536387770 YEXPTZXASKVIPF-KRWDZBQOSA-N 449.429 4.080 5 20 IIBD CN(C(=O)c1cccnc1OCC(F)(F)F)c1nc(-c2ccccc2[N+](=O)[O-])cs1 537152862 WGTVDCGALNTBHG-UHFFFAOYSA-N 438.387 4.331 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)c1 537311736 PCISLGJOFGLYKI-HNNXBMFYSA-N 426.448 4.183 5 20 IIBD COc1ccccc1COC1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 538801810 LWTLYCGYZMGOED-UHFFFAOYSA-N 448.903 4.234 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 539372691 GMOVWCRFSOQHAP-IRXDYDNUSA-N 435.590 4.057 5 20 IIBD COc1ccccc1-n1ncc(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)c1C 540793051 IJFIIBRLWRUEMY-UHFFFAOYSA-N 448.401 4.302 5 20 IIBD O=[N+]([O-])c1ccc(CSc2nnc(N3CCCCC3)n2C[C@@H]2CCCO2)c(Cl)c1 541074905 MOGCCPUUEIKIND-INIZCTEOSA-N 437.953 4.301 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2oc3ccc(OC)cc3c2C)c([N+](=O)[O-])c1 541653095 FPJGLLLABSRCBX-UONOGXRCSA-N 427.457 4.344 5 20 IIBD O=C(Cc1csc(NC(=O)c2ccco2)n1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 541996985 DKKNZHFIVMRTDQ-UHFFFAOYSA-N 440.359 4.097 5 20 IIBD CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1F 542709437 UDOHSUQDXIPAQD-UHFFFAOYSA-N 428.386 4.348 5 20 IIBD O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 542752526 AAYXGNDCMVNSBK-UHFFFAOYSA-N 444.797 4.223 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1 543683441 QIBNKCCBMUROJE-UHFFFAOYSA-N 436.917 4.149 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N[C@@H](CCO)c2ccccc2Br)c1Br 544393685 HDSOREQSKUQIQH-LBPRGKRZSA-N 445.111 4.359 5 20 IIBD Cc1csc(Sc2ccc(-c3nc([C@H]4CC(=O)N(C5CC5)C4)no3)cc2[N+](=O)[O-])n1 544974803 QMCDBTPABQQCPN-LBPRGKRZSA-N 443.510 4.039 5 20 IIBD CC1CCN(c2ccc(-c3nc(-c4ccc(Cn5cncn5)cc4)no3)cc2[N+](=O)[O-])CC1 545597147 MDMXULKSFJFHFO-UHFFFAOYSA-N 445.483 4.188 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCOC4(CCOCC4)CC3)cc2[N+](=O)[O-])cc1 546714613 QYVZXDBZALKXCQ-UHFFFAOYSA-N 442.537 4.466 5 20 IIBD Cc1cc(Br)cnc1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 551647537 FKGOKAXNMYWHGT-UHFFFAOYSA-N 429.068 4.384 5 20 IIBD COc1cc(CNc2cc(OC)c(C)c(OC)c2)c([N+](=O)[O-])cc1OCC(F)(F)F 552064681 HYXPACIFLNKWPW-UHFFFAOYSA-N 430.379 4.482 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCCc2nc3ccccc3o2)cc1[N+](=O)[O-])c1ccccn1 552354100 PTGCLQOGOIDHDW-HNNXBMFYSA-N 431.452 4.277 5 20 IIBD Cc1cc(C(C)(C)NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)ccc1Br 558479374 APPMWAKLPYPMLT-UHFFFAOYSA-N 427.320 4.020 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)c1 558828185 HYXYBLCSLDENJX-GOSISDBHSA-N 425.407 4.045 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)n1 561260402 DJJOLRDENXYRPO-UHFFFAOYSA-N 440.283 4.269 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCN(c2ccnc3ccccc23)CC1 574120468 NLXWEBOGLYNNOO-UHFFFAOYSA-N 445.504 4.229 5 20 IIBD COc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1OC(F)F 574773343 CYVROSFTCRUGGC-UHFFFAOYSA-N 434.317 4.496 5 20 IIBD COc1ccc(C2(NC(=O)c3cc([N+](=O)[O-])cc(Br)c3C)CCOCC2)cc1 585698385 QMXOCMYZGYNFMJ-UHFFFAOYSA-N 449.301 4.110 5 20 IIBD CCOc1ccc(NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1OCC 585760325 FPSIXRILTITQRN-UHFFFAOYSA-N 429.473 4.267 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(CNc2cccc(CS(=O)(=O)C3CCCCC3)c2)c1 589505605 ZMNBCBFGRFNBCF-UHFFFAOYSA-N 446.525 4.241 5 20 IIBD C[C@@H](Sc1nnc(COc2ccc(Cl)cc2)n1C)C(=O)Nc1cccc([N+](=O)[O-])c1 591888342 LAELSNWQWJFHRL-GFCCVEGCSA-N 447.904 4.075 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 603500612 IXPJROCQWXBJKH-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD O=C(c1ccccc1OCCOc1ccccc1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 603693340 KFOPCBASEIWATG-UHFFFAOYSA-N 447.491 4.015 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3cccc(Cn4ccnc4)c3)cc2[N+](=O)[O-])C1 603873633 OWJMSPYXLPMGEQ-RTBURBONSA-N 447.539 4.252 5 20 IIBD O=C(CNc1ccccc1COCc1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 604008450 XXVHKJZTJGCUMA-UHFFFAOYSA-N 435.436 4.091 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCCc2cc(Br)ccc21 604016062 GRNLGIGOHJMYCN-UHFFFAOYSA-N 427.258 4.136 5 20 IIBD C[C@@H](Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 604045963 MYQQKLDZMJPNQN-OAHLLOKOSA-N 436.443 4.354 5 20 IIBD O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 604518887 FNTGBKDKBVWADF-CYBMUJFWSA-N 444.463 4.253 5 20 IIBD COc1cc(C(=O)NCCc2coc(-c3ccc(C)cc3)n2)c([N+](=O)[O-])cc1OC(F)F 608817854 IMSZZVDOZAKPCN-UHFFFAOYSA-N 447.394 4.141 5 20 IIBD CCOc1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C(C)C)cc1OCC 608933329 DBWVQSXOTNFNQC-OAQYLSRUSA-N 444.484 4.291 5 20 IIBD Cc1cccc(Oc2ccccc2CNC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)c1 609307357 IUQPVTVLKJRECL-QGZVFWFLSA-N 433.464 4.130 5 20 IIBD COc1ccc(C(=O)NCC(=O)Nc2ccc(Oc3ccccc3)cc2C)cc1[N+](=O)[O-] 609451755 YCWKDBNUYHAXLF-UHFFFAOYSA-N 435.436 4.073 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCCOc1cccc2cccnc12 609459659 ANIDYGWSLISLRK-CQSZACIVSA-N 429.860 4.149 5 20 IIBD CCSc1ccc([C@@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 609504878 ITVKDAGZPOKWIB-CZUORRHYSA-N 433.555 4.250 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CCCN(Cc2ccccc2)C1 609730631 ACHMYGWKOFQFLU-GOSISDBHSA-N 431.920 4.046 5 20 IIBD COc1ccccc1-c1cc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])n[nH]1 610662968 KGRKZQGONRMBNI-UHFFFAOYSA-N 443.268 4.101 5 20 IIBD O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCCN(C[C@@H]2CCCO2)CC1 610859071 YKSAXIWXRBODDB-FQEVSTJZSA-N 441.553 4.073 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccn(-c3ncccc3F)n2)cc1[N+](=O)[O-])c1ccccn1 611163724 UZWITQAOVPKMQY-CQSZACIVSA-N 447.430 4.135 5 20 IIBD CCCCCCn1c(Sc2ncc([N+](=O)[O-])c(N)n2)nnc1-c1c[nH]c2ccccc12 728049768 SHIRQRLUOBQCNT-UHFFFAOYSA-N 438.517 4.438 5 20 IIBD Cc1c(C(=O)OCc2nnc(-c3ccccc3Cl)o2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 728837221 LKRUXXNJPOBWFW-UHFFFAOYSA-N 432.776 4.180 5 20 IIBD COc1ccc(-c2ccc(C(=O)NCc3ccc(OC)c([N+](=O)[O-])c3)c(F)c2)c(F)c1 730480626 CKXAEPNPCKUQHG-UHFFFAOYSA-N 428.391 4.487 5 20 IIBD O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCc1ncc(-c2cccs2)o1 731502427 MUUBKUIBYNGFNF-UHFFFAOYSA-N 427.360 4.485 5 20 IIBD C[C@@H](OC(=O)c1ccc2nc(C(F)F)[nH]c2c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 733533647 GJKHLHXRRBETCQ-MRVPVSSYSA-N 438.774 4.246 5 20 IIBD Cc1ccc(Cn2nc(C)c(CCC(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)c2C)cc1 733552104 SOKFRYLUCFCXGM-UHFFFAOYSA-N 435.480 4.124 5 20 IIBD CC[C@H](C)c1ccc(C(=O)COC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 733558547 LCQHZCXJIVHNLO-WMLDXEAASA-N 444.509 4.201 5 20 IIBD O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 735799679 JSIFQWWTTOMMPY-UHFFFAOYSA-N 426.778 4.401 5 20 IIBD CC1(C)[C@@H]2OCC[C@@H]2[C@H]1OC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 739367728 VSEQJMSNUAFJQS-AMKSKSKJSA-N 426.256 4.058 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 742225321 CKXRUPOIACORQH-KRWDZBQOSA-N 428.247 4.053 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Oc1cccc(C(=O)NCc2ccccc2)c1 743609046 WVZRBFTXZKBRPE-UHFFFAOYSA-N 429.432 4.085 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1C[C@@H](n2cccn2)Cc2ccccc21 744373815 FLDZWOVGAXEQEG-FQEVSTJZSA-N 431.496 4.226 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N1CCC2(CCOCC2)C1 744428344 IQQSVRKYWVFLNZ-FQEVSTJZSA-N 429.904 4.431 5 20 IIBD Cc1ccc(N2CCC[C@H](OC(=O)Cn3c4ccccc4c(=O)c4ccccc43)C2=O)cc1 744640224 WGRXYKGGCCCOPM-DEOSSOPVSA-N 440.499 4.202 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc2cc(C(F)(F)F)ccc2n1C 745631251 WKUGTGRHIIANKI-UHFFFAOYSA-N 435.358 4.209 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nc3ccc(Br)cc3s2)c1C 747848623 QICHFWLEPDOYTO-UHFFFAOYSA-N 442.316 4.385 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccc(Br)cc1 750535622 OWQMPRCCZBIHEM-SNVBAGLBSA-N 441.665 4.045 5 20 IIBD COc1cccc(O[C@H](C)CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)c1 750889485 BRNGTQXVLLUDRL-SNVBAGLBSA-N 443.681 4.217 5 20 IIBD O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)OCc1nc2cc([N+](=O)[O-])ccc2o1 751620413 ZXIJWJXWVYMOGP-IBGZPJMESA-N 445.431 4.341 5 20 IIBD C[C@@H](c1ccc(F)cc1)N(C)C(=O)COC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 751642936 HBYLLPDJODMMTJ-LBPRGKRZSA-N 440.880 4.242 5 20 IIBD Cc1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])c(Br)cc2F)c(F)cc1F 751691252 SNSGMCODUJDKON-UHFFFAOYSA-N 432.148 4.123 5 20 IIBD C[C@@H](C(=O)Nc1cnc(Br)c(Br)c1)c1ccc([N+](=O)[O-])cc1F 754352280 XZHYJFUHFYSEBQ-SSDOTTSWSA-N 447.058 4.396 5 20 IIBD C[C@@H](C(=O)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1F 754429668 WNCNDVSWGBBIQI-OAHLLOKOSA-N 437.512 4.333 5 20 IIBD C[C@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[C@H](O)c1c(F)cccc1Cl 755027828 BZYRXYMMMNLGMD-AYVTZFPOSA-N 446.660 4.393 5 20 IIBD CCOc1cc(COC(=O)[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)ccc1[N+](=O)[O-] 755550595 SVADDERSNIYGRU-LLVKDONJSA-N 429.395 4.216 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCCC[C@H]1C[C@@H](O)c1ccccc1 755985366 YOMGZWVILVMJRV-SIKLNZKXSA-N 441.528 4.300 5 20 IIBD CC[C@H](Nc1cc([N+](=O)[O-])c(OC)c(Br)c1[N+](=O)[O-])c1c(C)noc1C 756957554 VAZFVFIJFZHIDA-VIFPVBQESA-N 429.227 4.442 5 20 IIBD O=C(Nc1cc(Cl)c([N+](=O)[O-])cc1OCc1ccccc1)c1cnc2nccnc2c1 758847562 HBBTXOWYAUZUAP-UHFFFAOYSA-N 435.827 4.418 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@@H](O)c1cccc(OCc2ccccc2)c1 759420217 MWTGYHCXOYQZHB-XMMPIXPASA-N 445.475 4.047 5 20 IIBD C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 762687021 OHRLTCNAJDTXKN-KPZWWZAWSA-N 449.294 4.329 5 20 IIBD CN1CC[C@@H](CNC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 762736301 SXOCWBLBJPBQGQ-VOJFVSQTSA-N 427.810 4.088 5 20 IIBD O=C(Cc1c[nH]c2cc(Br)ccc12)O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 766397870 CPSYEHMWZFFRCT-SJORKVTESA-N 447.289 4.305 5 20 IIBD O=C(N[C@H](c1ccccc1)C1CCCCC1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 766407300 HMYDBPJKUQQUCI-HSZRJFAPSA-N 435.480 4.300 5 20 IIBD COc1cc(C(=O)OCc2nnc(-c3ccccc3)s2)c([N+](=O)[O-])cc1OC(F)F 766678309 QIRXAWLDBQAXDQ-UHFFFAOYSA-N 437.380 4.080 5 20 IIBD O=[N+]([O-])c1cccc(Br)c1CN1CCC[C@H](c2nnc3n2CCCCC3)C1 768225632 JSUUFYYNTGVWQS-AWEZNQCLSA-N 434.338 4.055 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Oc3ccc4c(c3)CN(C)C4=O)cc2[N+](=O)[O-])n1 768857897 SXPAMJBKOIEMIJ-UHFFFAOYSA-N 441.490 4.316 5 20 IIBD Cc1cc2c(N3CCC[C@H]3C(=O)Nc3cc([N+](=O)[O-])c(Cl)cc3C)ncnc2s1 770558901 PLEJNSKJEDOOCY-HNNXBMFYSA-N 431.905 4.477 5 20 IIBD C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)[C@@H](c1ccccc1)N(C)C 771510756 SUWKUAMLVGOWER-DIFFPNOSSA-N 440.725 4.432 5 20 IIBD Cc1ccc([C@H](C)NCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1[N+](=O)[O-] 775549876 QNIYIUBYXNTRKI-SFHVURJKSA-N 446.507 4.123 5 20 IIBD C[C@H](c1nnc(SC[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1-c1ccc(Cl)cc1)N(C)C 776271282 JUOBONJAFDQUCR-FZKQIMNGSA-N 447.948 4.277 5 20 IIBD O=c1c2ccccc2nc(SC[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1-c1ccc(F)cc1 776271889 NWRPCZANGARXHL-HXUWFJFHSA-N 437.452 4.259 5 20 IIBD O=[N+]([O-])c1ccc([C@@H](O)CSc2nnc(N3CCCC3)n2-c2ccccc2Cl)cc1 776273928 FJHZUNVSGXJKRI-SFHVURJKSA-N 445.932 4.255 5 20 IIBD COc1ccc(Cn2cc(C(=O)O[C@@H](C)c3cc([N+](=O)[O-])ccc3C)cn2)cc1OC 778458625 LWONCWHMJYRGJJ-HNNXBMFYSA-N 425.441 4.083 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NS(=O)(=O)Cc1ccccc1Cl 780420169 RVWOTJOEZOYYRF-UHFFFAOYSA-N 428.919 4.010 5 20 IIBD Cc1c(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cccc1C(=O)Nc1ccccc1 781637397 ZNXOMESLFHQAPZ-QFIPXVFZSA-N 444.447 4.287 5 20 IIBD CCN(C(=O)c1cc(NS(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])ccc1Cl)C(C)C 782527672 SBXLPWHTEOGEBB-UHFFFAOYSA-N 443.884 4.059 5 20 IIBD O=C(NC[C@H]1CCCCN1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)Nc1ccccc1 782737590 TWDJTPCBSZQPHU-GOSISDBHSA-N 445.907 4.134 5 20 IIBD Cc1c(C(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 782828915 BPONCRHVPHNVMP-QGZVFWFLSA-N 439.346 4.044 5 20 IIBD O=C(NCCSCc1cccc2ccccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 783310575 WFEBYBFIDWNHJC-UHFFFAOYSA-N 443.912 4.390 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 784449289 ZIKWKLYHBIDBFR-GFCCVEGCSA-N 434.823 4.445 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1-c1nnnn1C1CC1 784702825 BZHYFCZPTFRDGB-UHFFFAOYSA-N 447.499 4.134 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)NCCCCCc2ccccc2)cc1[N+](=O)[O-] 784704965 URXNXRIQAXGNDX-UHFFFAOYSA-N 448.317 4.133 5 20 IIBD CCOC(=O)/C=C\c1ccc(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1 786945248 ZNVWDOQEKFOKSU-TWGQIWQCSA-N 436.367 4.033 5 20 IIBD CCOc1cc(C(=O)OCc2ccc(Cl)nc2C(F)(F)F)c([N+](=O)[O-])cc1OC 787589427 OAMICFLYLNUFEK-UHFFFAOYSA-N 434.754 4.426 5 20 IIBD O=C(COC(=O)c1cc(C(F)(F)F)cnc1Cl)Nc1cc(Cl)ccc1[N+](=O)[O-] 789022727 VAZZGXWOESSKBR-UHFFFAOYSA-N 438.145 4.111 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)Oc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c1F 790115303 QZGOAOJQGNZWPA-UHFFFAOYSA-N 444.440 4.087 5 20 IIBD COc1ccccc1[C@@H](C)N(C)C(=O)COc1cc(F)c(Br)cc1[N+](=O)[O-] 790296308 SVWGGWAVGHACHZ-LLVKDONJSA-N 441.253 4.103 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 790571396 FNKUXOFTWWAZBF-UHFFFAOYSA-N 435.717 4.173 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Oc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1 790903298 YYLLDQIQOCBJKX-KRWDZBQOSA-N 447.806 4.437 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1C 791694029 QPMMVTBRIDVNBA-SNVBAGLBSA-N 427.240 4.403 5 20 IIBD O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N(CCO)Cc1cccnc1Cl 794320163 PWASHUXIOYJXIH-UHFFFAOYSA-N 426.860 4.022 5 20 IIBD Cc1ccc(N2CCOCC2)cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 797595538 VUSQRNMJLCYZLT-UHFFFAOYSA-N 438.528 4.228 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@](C(=O)OC)(C(F)(F)F)C1 804367766 SHNOXHPHSSXRTK-QGZVFWFLSA-N 434.436 4.055 5 20 IIBD CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])s1 811505585 FSYLSHKTEDOTAJ-IUCAKERBSA-N 432.333 4.068 5 20 IIBD O=[N+]([O-])c1ccc(/C(O)=C(/C(=S)NC2CC2)[n+]2cc(O)cc(-c3ccccc3)c2)cc1 811722541 MAWDSFHNVDGFHQ-UHFFFAOYSA-O 434.497 4.218 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])CC2)C1 812351419 LRDOATOKNNOLNB-OAHLLOKOSA-N 437.924 4.357 5 20 IIBD Cc1nc2ccccc2c2c(NC(=O)c3c(Br)nnn3C)c3ccccc3n12 812830261 OPVBVEXWCVXUHF-UHFFFAOYSA-N 435.285 4.092 5 20 IIBD CCOc1ccc([C@@H](O)C2CCN(C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 812877993 NBPKEMRZDODFSK-OPAMFIHVSA-N 427.501 4.210 5 20 IIBD COC(=O)c1c(F)ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c1F 813306226 PCBPQIWCBGOSSV-UHFFFAOYSA-N 433.411 4.148 5 20 IIBD COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] 813757833 YJDUPXJWDGHFKQ-UHFFFAOYSA-N 435.889 4.019 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 813799379 KXXXLRFEVUIQNY-QGZVFWFLSA-N 432.521 4.058 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C(=O)Nc1ccccc1Cc1ccccc1 854158423 VUKJIMBCLYBVAM-KRWDZBQOSA-N 447.491 4.436 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1ccc(Br)o1 864244619 GHRWUQDFBDKLDR-UHFFFAOYSA-N 435.234 4.051 5 20 IIBD O=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)Nc1ccc(Cl)c([N+](=O)[O-])c1 915307664 OXIIHILNTDJCNL-UHFFFAOYSA-N 449.176 4.285 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 916695540 SVMHZWHXYHLWFX-LDADJPATSA-N 436.815 4.132 5 20 IIBD COc1cc(COC(=O)c2cc(-c3cccs3)[nH]n2)c([N+](=O)[O-])cc1OC(F)F 917260099 NQDFXVNQEMRGJW-UHFFFAOYSA-N 425.369 4.013 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Oc1ccc2c3c(c(=O)oc2c1)CCCCC3 917849132 KAHJYQLYASOLPT-UHFFFAOYSA-N 429.450 4.046 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccc(OCc2nccn2C)cc1 918525318 SFVBGNODMNAWHT-OAHLLOKOSA-N 427.482 4.131 5 20 IIBD CCOC(=O)N[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 920477900 LLHQOSXEESVUDA-OAHLLOKOSA-N 429.498 4.097 5 20 IIBD CC(C)(C)OC(=O)NCc1nnc(SCc2ccc([N+](=O)[O-])cc2Br)o1 1116704435 NLJKYXGMBAONLA-UHFFFAOYSA-N 445.295 4.057 5 20 IIBD CC(=O)N1Cc2ccc(NC(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)cc2C1 1319032842 ITEKXXAIWUPFGU-UHFFFAOYSA-N 430.464 4.321 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2Cc3ccc([N+](=O)[O-])cc3C2)c([N+](=O)[O-])c1 1323207354 WDFNGRJVRSWQCI-UHFFFAOYSA-N 447.403 4.041 5 20 IIBD Cc1noc(C)c1COc1ccc(Cc2nnc(COc3ccccc3[N+](=O)[O-])o2)cc1 1323962020 GMAKWBZAAYIXND-UHFFFAOYSA-N 436.424 4.331 5 20 IIBD CSc1cccc(C(=O)Nc2ccc3nc(CN4CCCCC4)[nH]c3c2)c1[N+](=O)[O-] 1325849820 IEHXMZNZSODARR-UHFFFAOYSA-N 425.514 4.431 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H]1c1nnc(COc2ccc(Cl)cc2)o1 1341311069 NJXLCKJGUBVYAJ-CYBMUJFWSA-N 434.861 4.249 5 20 IIBD C/C=C(/C)C(=O)NC1(c2ccc(NC(=O)Cc3cc([N+](=O)[O-])ccc3F)cc2)CCC1 1786671292 BRIOJNGJLLYZJP-CQPUUCJISA-N 425.460 4.377 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])o4)CCC3)cc2)c(C)n1 1789962549 VOTXLPKOUCTGPR-UHFFFAOYSA-N 434.452 4.261 5 20 IIBD COc1ccc(CC(=O)NC2(c3ccc(NC(=O)C45CC(C4)C5)cc3)CCC2)c([N+](=O)[O-])c1 1792036418 VXCWVPRWDRQEDO-UHFFFAOYSA-N 449.507 4.080 5 20 IIBD COc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CC4(F)F)CCC3)cc2)ccc1[N+](=O)[O-] 1792164655 LODZOPLJMRGMCY-MRXNPFEDSA-N 445.422 4.006 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])o1)c1ccc2occ(Cl)c2c1 1792398397 QAXYWVJADBXRDD-BTTYYORXSA-N 443.843 4.153 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/C1CCCCC1 1800120984 PTYGHSUJFPZFDS-PKNBIEPVSA-N 439.556 4.302 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@]1(C)CC=CCC1)C2 1800698823 GMIVWAJZKJLGIH-BMCPXHGSSA-N 429.492 4.041 5 20 IIBD C[C@@H]1C[C@]1(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 1801207177 NBVDKNIFIMZYDP-HOMUEIIFSA-N 427.526 4.107 5 20 IIBD Cc1ccc(CCC(=O)N2CCC3(CCCN(C(=O)c4ccc([N+](=O)[O-])o4)C3)CC2)s1 1804643274 GAHKKVAZUSGXQE-UHFFFAOYSA-N 445.541 4.035 5 20 IIBD Cc1c(C(=O)N2CCC3(CCCN(C(=O)CC4CC4)C3)CC2)cc(Cl)cc1[N+](=O)[O-] 1809394347 GEEJDILVQWTPDR-UHFFFAOYSA-N 433.936 4.202 5 20 IIBD CC(C)=CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)[nH]n1 1820798428 BPEGVPAFIKRGLC-HXUWFJFHSA-N 439.516 4.299 5 20 IIBD O=C(CCc1cccs1)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823611060 UOGRMSMRSALDHM-GOSISDBHSA-N 445.541 4.115 5 20 IIBD CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)CC2)CCCC1 1823847275 FIAHILGXTRJEMS-LJQANCHMSA-N 443.544 4.114 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC([C@H]2CCCCN2C(=O)C23CC(C2)C3)CC1 1832470617 RPOPHXHWLOCHQD-JZYSXYLBSA-N 437.540 4.028 5 20 IIBD O=C(Cc1cc(F)ccc1[N+](=O)[O-])N1CCC([C@H]2CCCCN2C(=O)CC2CCC2)CC1 1832837946 MPWRAHKJOAKRGH-OAQYLSRUSA-N 445.535 4.086 5 20 IIBD Cc1cc(C(=O)COc2cc(F)ccc2[N+](=O)[O-])c(C)n1Cc1ccc2c(c1)OCO2 3545526 TYZXEQMSSWMAQC-UHFFFAOYSA-N 426.400 4.191 5 20 IIBD C[C@H](OC(=O)c1ccc(Cl)s1)C(=O)/N=c1/[nH]c(-c2cccc([N+](=O)[O-])c2)cs1 9484429 QTPFXTIUCLNVCL-VIFPVBQESA-N 437.886 4.039 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)Cc1coc2c(C)c(C)ccc12 9784208 GILSGXMKOMRKCU-AWEZNQCLSA-N 426.425 4.079 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])c1 10715763 XHOQGVQHWODQNW-UHFFFAOYSA-N 434.448 4.385 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2sc3cc(F)ccc3c2Cl)c([N+](=O)[O-])c1 11444026 HELYOGPEMZVSRI-UHFFFAOYSA-N 438.820 4.406 5 20 IIBD CC(=O)N1CCc2cc(S(=O)(=O)Oc3ccc([N+](=O)[O-])cc3-c3cccs3)ccc21 15359214 IIKHNWQSEOUADS-UHFFFAOYSA-N 444.490 4.000 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 15411174 NCKVFXZCTUMOMJ-UHFFFAOYSA-N 447.419 4.235 5 20 IIBD COc1ccc([C@H]2CCCN2C(=O)c2ccc(Br)c([N+](=O)[O-])c2)c(OC)c1 15829981 JEPJAFOXDSPQOQ-MRXNPFEDSA-N 435.274 4.352 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C)c(I)c2)c1 16205373 OYOBTTNZHXQBGI-UHFFFAOYSA-N 428.251 4.482 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(F)c(Cl)cc2Cl)c([N+](=O)[O-])c1 18458122 ZCQSOSGEPYJNIV-QMMMGPOBSA-N 431.203 4.233 5 20 IIBD Cc1nc(CC(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cs1 22520605 VRQVWRMDPFHESN-LJQANCHMSA-N 445.884 4.479 5 20 IIBD CN(C)CCCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 60061967 UOBWEOKBMDLWTE-UHFFFAOYSA-N 446.356 4.044 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccc(Oc2ccc(F)cc2)c(C)c1 60685854 BTWZGGPZAWJYHT-UHFFFAOYSA-N 437.427 4.398 5 20 IIBD O=C(CN1CCN(c2ccsc2[N+](=O)[O-])CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 63256162 VNONUHSMZWVMJL-UHFFFAOYSA-N 448.854 4.089 5 20 IIBD CC1CCN(C[C@H]2CCCN(C(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])C2)CC1 109661622 PPKYQNKIOJVZLM-MRXNPFEDSA-N 443.466 4.120 5 20 IIBD C[C@H](NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1C 237485720 FUXOFMJVXSLOEW-OALUTQOASA-N 447.539 4.327 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NCc1ccc(-n2cccn2)cc1 301529137 OPVNBMGFNANRGF-UHFFFAOYSA-N 449.492 4.193 5 20 IIBD O=c1c(Cl)c(N2Cc3ccc(Br)cc3C2)cnn1-c1ccc([N+](=O)[O-])cc1 302176511 ONIHAFHCJIBCLN-UHFFFAOYSA-N 447.676 4.077 5 20 IIBD CCOc1cccc(N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn34)C2)c1[N+](=O)[O-] 302216380 JNZPQJJRMNXPDL-ZDUSSCGKSA-N 435.406 4.439 5 20 IIBD CCN(CC)CCn1ccc2cc(NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)ccc21 303019361 LITVMWLFMCRSOD-UHFFFAOYSA-N 446.511 4.329 5 20 IIBD O=C(Nc1ccc(I)cc1Br)c1ccc([N+](=O)[O-])cc1 380207135 GENKTVTUVFLQAH-UHFFFAOYSA-N 447.026 4.214 5 20 IIBD COc1cccc(OC)c1Oc1ccc(CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cn1 409679532 RUNGCMFJBSIJNK-UHFFFAOYSA-N 438.440 4.429 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)Cc2cn3c(n2)CCCC3)cc1 429518708 MDHPZTAFKLJYLA-UHFFFAOYSA-N 436.468 4.201 5 20 IIBD CC(C)(NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1ccc([N+](=O)[O-])cc1 430533051 SWJXXDLTXAJSHR-UHFFFAOYSA-N 442.475 4.018 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCO[C@H](c2ccc(F)cc2)C1 435881181 SWUIPADFZXNJSB-NRFANRHFSA-N 438.405 4.312 5 20 IIBD O=C(NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)c1ccc(O)c([N+](=O)[O-])c1 436964232 FXXCEJNUILYHAM-UHFFFAOYSA-N 433.342 4.437 5 20 IIBD Cc1ccc([C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C)S(C)(=O)=O)cc1 437353716 QUMFKMVHSPZZIQ-FOIQADDNSA-N 445.566 4.291 5 20 IIBD COc1ccc2c(c1)CCN(C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC2 439012066 SMGLDLWSSBAESC-UHFFFAOYSA-N 440.443 4.342 5 20 IIBD Cc1c(CC(=O)Nc2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)cccc1[N+](=O)[O-] 440057612 BZBRYLGCOSJKMD-UHFFFAOYSA-N 433.395 4.024 5 20 IIBD CCCNC(=O)C1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 440434134 PFCGJVRVCVYMOL-UHFFFAOYSA-N 427.526 4.124 5 20 IIBD O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc(Oc2ccc(F)cc2)c(Br)c1 441403166 GACRDWLYVFYTSI-UHFFFAOYSA-N 435.209 4.124 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 442934475 HWMRRXAKQSFZBJ-JWQCQUIFSA-N 442.515 4.476 5 20 IIBD CN(C)C(=O)COc1ccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1Cl 444031478 INVREIHSXQGKTG-UHFFFAOYSA-N 449.894 4.054 5 20 IIBD CCO[C@@H]1C[C@@H](N(C)C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C12CCC2 444242181 UUJYWAJCCZAAIC-RTBURBONSA-N 426.463 4.379 5 20 IIBD O=C(CCc1ncc(-c2ccccc2Cl)o1)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444631345 LFFVSXSRTUEHMG-UHFFFAOYSA-N 425.832 4.029 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1c(-n2cccc2)sc2c1CCSC2 444645967 RKHCYQSUOGCFKW-UHFFFAOYSA-N 439.522 4.043 5 20 IIBD O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 444829559 YQNNJMIPNWKBCI-QGZVFWFLSA-N 425.488 4.172 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Br)cc3OC(F)F)no2)cc1O 445238471 PFUHOEXCQRZKPN-UHFFFAOYSA-N 428.145 4.381 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC(c2nc([C@H]3CCCOC3)no2)CC1 445518376 KSEUZPWORQGAPJ-ZDUSSCGKSA-N 426.395 4.275 5 20 IIBD Cc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 446960476 YXKITEATLPDORF-MRXNPFEDSA-N 425.304 4.192 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1nc(-c2cccc(Br)c2)no1 448067733 RXGDVVMJKISMKH-UHFFFAOYSA-N 446.261 4.346 5 20 IIBD C[C@H]1CCO[C@H]1c1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1C[C@H]1CCCCO1 461655418 NNGGFHIVOIXPAT-ZLGUVYLKSA-N 441.532 4.022 5 20 IIBD CS(=O)(=O)c1ccc(Sc2ccccc2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 463240956 XYZQFDMNPFBODI-UHFFFAOYSA-N 428.491 4.402 5 20 IIBD CC(C)OC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1 464416524 ISGPEEHXJCJXIU-UHFFFAOYSA-N 449.872 4.162 5 20 IIBD Cc1nc2sccn2c1CN(C)C(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 464811823 DJFDNGMOZGECIE-GASCZTMLSA-N 441.557 4.367 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1cc(F)ccc1SCC(F)F 465149422 SSENJQGDOLUVPB-UHFFFAOYSA-N 428.388 4.044 5 20 IIBD CC[C@@H]1Oc2cc([C@@H](C)NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc2NC1=O 465356911 JDJDTRUXYAROSC-HWPZZCPQSA-N 437.374 4.214 5 20 IIBD O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N1CCC(c2cccc(Br)c2)CC1 467837504 CINYWOJKHIBBNO-UHFFFAOYSA-N 429.274 4.253 5 20 IIBD Cc1coc(-c2cccc(NC(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)c2)n1 467990947 RXFVMFRVIYYTDO-UHFFFAOYSA-N 436.453 4.090 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@H](C)c1sc(-c2ccccc2)nc1C 469162413 XNIUSINFEXGMIW-CQSZACIVSA-N 447.538 4.417 5 20 IIBD Cc1ccc([C@@H]2CCN(C(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)C2)c(C)c1 471325449 CNYAYIVANSUQMV-QGZVFWFLSA-N 437.525 4.121 5 20 IIBD Cc1cc(-c2noc([C@H](C)NC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)ccc1F 472395382 ODASGAIFGWIXJY-NWDGAFQWSA-N 448.838 4.390 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 472722506 DEAGGAHUDIECMV-UHFFFAOYSA-N 438.242 4.295 5 20 IIBD Cc1c(CS(=O)(=O)CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)cccc1[N+](=O)[O-] 476642419 ZVAAHCXHDKNUMY-QHCPKHFHSA-N 444.553 4.256 5 20 IIBD Cc1ccc(NCCCNC(=O)[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)c([N+](=O)[O-])c1 476987278 GFJUYBWBELWENZ-CYBMUJFWSA-N 441.454 4.001 5 20 IIBD COc1cc(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)cc([N+](=O)[O-])c1OC 478784032 RZGYCUCWVSIGHV-UHFFFAOYSA-N 438.824 4.175 5 20 IIBD CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 478863300 BLBNDPMGYHMJJX-GFCCVEGCSA-N 433.511 4.139 5 20 IIBD Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 479443441 GVGXDJXAWAYTAF-UHFFFAOYSA-N 431.456 4.017 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccnc(C2CC2)n1 481984388 AOHVLJGBCYGFNU-UHFFFAOYSA-N 438.465 4.420 5 20 IIBD Cn1ccnc1C[C@H]1CCCN(c2c([N+](=O)[O-])cnc3ccc(Br)cc23)C1 481985347 XCGNACZYDXVHIN-CYBMUJFWSA-N 430.306 4.098 5 20 IIBD COc1ccccc1-c1nc(C2CCN(C(=O)Nc3ccc([N+](=O)[O-])c(C)c3)CC2)no1 484353186 RTDYHEAITILUCE-UHFFFAOYSA-N 437.456 4.373 5 20 IIBD CCOC(=O)c1c(C2CC2)csc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 484719973 JGOFMADBPRZEFQ-UHFFFAOYSA-N 426.454 4.148 5 20 IIBD COc1ccc(CNC(=O)CCCC(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 485443187 ZXKYBKBYNWXMEJ-UHFFFAOYSA-N 435.274 4.035 5 20 IIBD CC(C)c1ccc(CN(C)[C@@H](C)c2ccc(N3CCCS3(=O)=O)cc2)cc1[N+](=O)[O-] 485703993 IZKNOIHJEQAYKW-KRWDZBQOSA-N 431.558 4.451 5 20 IIBD CSc1cccc(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)c1[N+](=O)[O-] 486230313 RWNSWJLPTPVYHW-ZDUSSCGKSA-N 436.331 4.088 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(OC)ccc1Br 487006956 AKILDTRPTWUVQL-UHFFFAOYSA-N 441.303 4.357 5 20 IIBD Cc1cc(C[C@@H](C)NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])n(-c2ccccc2)n1 487861776 XSPGXDBPMCQVOA-OAHLLOKOSA-N 441.919 4.215 5 20 IIBD O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 487918341 RKPIFEGIXAOYRJ-SFHVURJKSA-N 428.558 4.243 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1 489064315 RYOUZQSOCDOZPO-KRWDZBQOSA-N 436.917 4.280 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1ccc(Cn2cnc3ccccc32)cc1 489700262 CZUVQZKTHQUOCB-UHFFFAOYSA-N 432.505 4.401 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 490435132 IFMMDNAQRSEPJZ-YVEFUNNKSA-N 444.431 4.073 5 20 IIBD Cc1ccn2c(CN3CCN(C(=O)c4cc5cc([N+](=O)[O-])ccc5s4)CC3)c(C)nc2c1 490850482 OHEQMWWMMNXEOT-UHFFFAOYSA-N 449.536 4.032 5 20 IIBD O=C(c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 492876797 XMJRZXNZTAJIIG-UHFFFAOYSA-N 438.434 4.352 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 494102938 FBFHMZXEUAHAFO-YADARESESA-N 434.540 4.296 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 505320535 LSSMXFMFLVALKC-HXUWFJFHSA-N 444.451 4.198 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c([N+](=O)[O-])c1 509638368 LKZLCFMFQMRMBG-MRXNPFEDSA-N 439.493 4.195 5 20 IIBD O=C(Nc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 511117557 YOVPFBSEWCQQTP-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD COc1cccc(CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c1OC1CCCC1 511494509 WBJBZSVPDCRYRC-UHFFFAOYSA-N 427.501 4.309 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN[C@@H](c1c[nH]c2ccccc12)C(F)(F)F 513121858 JXJARGJUNPFVPE-SFHVURJKSA-N 434.374 4.267 5 20 IIBD CC(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H](C(=O)Nc2ccccc2)C1 516259487 WIUUWQPKQZVYNE-IBGZPJMESA-N 448.527 4.364 5 20 IIBD O=C(Nc1ccnn1Cc1ccc(Cl)c(F)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 518229175 GXXJUHWLROOIGG-UHFFFAOYSA-N 440.822 4.070 5 20 IIBD COc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 520445236 LLSBLBNVUKNXFV-CJNGLKHVSA-N 434.876 4.396 5 20 IIBD COc1ccc(CSCC(=O)Nc2cc(C)nn2-c2ccccc2F)cc1[N+](=O)[O-] 520640077 XEIUPTNFZQTCRB-UHFFFAOYSA-N 430.461 4.109 5 20 IIBD CCc1c(-c2ccc(Br)cc2)n[nH]c1NC(=O)Cc1ccccc1[N+](=O)[O-] 521152593 MUFHUDMDWBMLIF-UHFFFAOYSA-N 429.274 4.491 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(COCc2ccccc2)cc1 521375321 OENVCYZMQJWVCF-UHFFFAOYSA-N 433.464 4.451 5 20 IIBD O=C(c1ccc(Cl)s1)N1CCC(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)CC1 522874468 WGARFOMTBRFCBG-UHFFFAOYSA-N 433.917 4.141 5 20 IIBD CC[C@@H]1CCC[C@@H](NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 524849249 BIPBYRQWLYUBGH-CRAIPNDOSA-N 431.514 4.094 5 20 IIBD CS(=O)(=O)Cc1nc(CSc2nc3ccccc3c3nc4ccccc4n23)cs1 525109761 SSMGEYWMLWCJMV-UHFFFAOYSA-N 440.575 4.329 5 20 IIBD COc1cc(C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)cc([N+](=O)[O-])c1OC 525501389 ZVTBEZPJCCIHCZ-UHFFFAOYSA-N 434.754 4.459 5 20 IIBD CCOC(=O)c1cc(C(=O)NCCc2nc3cc(Cl)ccc3s2)cc([N+](=O)[O-])c1 531273529 DQXMGKLGZLXGAN-UHFFFAOYSA-N 433.873 4.007 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 531495361 YHXSLHULFAMPKQ-GASCZTMLSA-N 445.541 4.131 5 20 IIBD COc1ccc(O)c(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 532346663 OXGREGRSFYEJKM-UHFFFAOYSA-N 439.390 4.183 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@H](C)c3ccc([S@@](C)=O)cc3)cc2[N+](=O)[O-])C1 535205094 FYVSGHSJUHSUSH-RDPOGRQYSA-N 443.569 4.306 5 20 IIBD C[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1noc(-c2ccc(Cl)cc2)n1 535441545 RGEZVKWUOQSIBJ-NSHDSACASA-N 425.832 4.199 5 20 IIBD COc1cc(C(=O)N[C@](C)(c2ccccc2)C(F)(F)F)c([N+](=O)[O-])cc1OC(F)F 537753269 RWKAYURKNSJLPG-QGZVFWFLSA-N 434.317 4.412 5 20 IIBD C[C@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cccc(OCc2ccccn2)c1 538149677 CGFRTKYSGROETD-INIZCTEOSA-N 431.452 4.470 5 20 IIBD COc1cc(CN2CCO[C@@](C)(c3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F 538731527 RYBHQDHUQFHXQG-HXUWFJFHSA-N 440.418 4.292 5 20 IIBD COc1ccc([C@@H](Cc2ccccc2C)NCC(=O)Nc2ccccc2[N+](=O)[O-])cc1OC 539275603 HIAVVIQSWXCSQG-OAQYLSRUSA-N 449.507 4.433 5 20 IIBD COCCOC[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 539825843 UYQYFVZYBKOZNK-AWEZNQCLSA-N 439.306 4.102 5 20 IIBD CCCCN1C(=O)CC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)[C@@H]1c1ccc(OC)cc1 539971672 ILYFXWGAELQLOO-GCJKJVERSA-N 441.484 4.028 5 20 IIBD COc1ccc(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])cc1OCC(F)(F)F 540600695 YINOJDQDMGCHAG-UHFFFAOYSA-N 428.363 4.261 5 20 IIBD COc1ccc([C@@H](C)NC(=O)CSc2ccccc2[N+](=O)[O-])cc1Br 541294689 UNAFCHCKZALTQB-LLVKDONJSA-N 425.304 4.335 5 20 IIBD C[C@H]1CSc2ccc(Cl)cc2N(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 541417028 RLGWTPDFBBMIJT-GFCCVEGCSA-N 429.889 4.218 5 20 IIBD Cc1c(Cl)cccc1NC(=O)CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 542355636 UETHYAIRUSHRIV-UHFFFAOYSA-N 442.324 4.447 5 20 IIBD C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ncc(-c2ccccc2)o1 543501466 USHZDIIKMYQJLI-LBPRGKRZSA-N 445.273 4.302 5 20 IIBD CCN(CC)C(=O)c1ccc(NC(=O)NCc2cc([N+](=O)[O-])ccc2OC)cc1Cl 544233348 NQZBBVKOFGZQPZ-UHFFFAOYSA-N 434.880 4.061 5 20 IIBD COc1ccc(CN(C)c2ncc([N+](=O)[O-])c(C)c2Br)cc1OC(F)F 544410681 ZZVPHWNIFNDHKS-UHFFFAOYSA-N 432.221 4.307 5 20 IIBD Cc1oncc1C(=O)Nc1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cc1 545169589 BBHYPFATCRPNFG-UHFFFAOYSA-N 426.404 4.199 5 20 IIBD CC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 547428698 CKVSZSSVHLSKKA-KSFYIVLOSA-N 432.480 4.093 5 20 IIBD COc1cc(OC)cc(C2(F)CCN(C(=O)CSc3ccccc3[N+](=O)[O-])CC2)c1 549032836 PBKFMNDLXPJGDZ-UHFFFAOYSA-N 434.489 4.192 5 20 IIBD Cc1sc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1cccc(Cl)c1 555842954 SCWFRWWHWGSOAV-UHFFFAOYSA-N 444.900 4.439 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(C)C)[C@@H](C)c1ccccc1C 556405953 IWNOFUCYVOVPDD-INIZCTEOSA-N 434.514 4.098 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3cnn(C)c3-c3ccccc3)cc2)c(C)c1[N+](=O)[O-] 558050606 MQMWCJJAWAAWKD-UHFFFAOYSA-N 430.468 4.109 5 20 IIBD CCCOc1cc(NC(=O)N2CC[C@H](N3CCCC3)[C@H]2C)c([N+](=O)[O-])cc1OCCC 558238118 ZHJDEXKVTQFTSN-AEFFLSMTSA-N 434.537 4.263 5 20 IIBD Cc1sc(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)nc1-c1cccc(Cl)c1 562850381 TZIVECSLAKWJFG-UHFFFAOYSA-N 430.873 4.049 5 20 IIBD Cc1nc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)sc1C(F)(F)F 573353309 SCMKGHOXLBLKKU-UHFFFAOYSA-N 439.419 4.492 5 20 IIBD COC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)[C@@H]1CCCO1 574307436 PUWOMBFUTNMIBO-MSOLQXFVSA-N 436.917 4.323 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H](NC(=O)CCCc2ccccc2)C1 575080025 YYKKIVUNHNFZAD-NRFANRHFSA-N 437.540 4.264 5 20 IIBD CCOCC(C)(C)CNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 584803091 ZYAQJJMOSNGERQ-UHFFFAOYSA-N 431.455 4.009 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1c1noc(C2CC2)n1 585699362 ITJNGCNAFMLVMI-HNNXBMFYSA-N 435.278 4.294 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1c1noc(C2CC2)n1 585699363 ITJNGCNAFMLVMI-OAHLLOKOSA-N 435.278 4.294 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccsc2)cc([N+](=O)[O-])c1C 603640966 WHZUYVUAOTXQFX-UHFFFAOYSA-N 445.522 4.004 5 20 IIBD O=C(Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1)c1csc([N+](=O)[O-])c1 603756344 PVWATXASPWUKAU-UHFFFAOYSA-N 436.537 4.226 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1C 603976969 NJVGKEPZVCCVNC-GJZGRUSLSA-N 425.485 4.282 5 20 IIBD Cc1sc(NC(=O)c2nc(C)n(-c3ccc(F)cc3)n2)nc1-c1cccc([N+](=O)[O-])c1 603997233 FNADTOPUHQKRBX-UHFFFAOYSA-N 438.444 4.307 5 20 IIBD O=[N+]([O-])c1ccc(OC(F)F)c(NCc2nc(O)c3ccc(C(F)(F)F)cc3n2)c1 604006183 OQGYDSQDCNXBOA-UHFFFAOYSA-N 430.289 4.476 5 20 IIBD Cc1c(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)n[nH]c1C(F)(F)F 604498246 XSNMHBDGXQNKIZ-GHMZBOCLSA-N 425.411 4.380 5 20 IIBD COc1ccc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(Br)c1 608899710 FRZKVAZBEYPWBS-UHFFFAOYSA-N 431.246 4.019 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CCCc3cc(Br)cc(C)c32)cc([N+](=O)[O-])c1 609102819 XGQWXDIHSNJSMD-UHFFFAOYSA-N 447.285 4.435 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCc3ccc(-c4ccncc4)cc3)cc2)c(C)c1[N+](=O)[O-] 610052320 CJPDLWKNUZCUNC-UHFFFAOYSA-N 441.491 4.448 5 20 IIBD COc1cc(C(=O)N[C@@H](COc2ccccc2F)c2ccccc2)cc([N+](=O)[O-])c1OC 610171717 CSAYPJQVGQHCBV-SFHVURJKSA-N 440.427 4.301 5 20 IIBD O=C(CSc1ccc2c3c(cccc13)CC2)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 610340031 OPIXDDSBEBJVIB-QGZVFWFLSA-N 434.521 4.047 5 20 IIBD CN(C)c1noc([C@@H]2CCCN(Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)C2)n1 618613553 SEMOTVDWPJQTNM-MRXNPFEDSA-N 441.463 4.355 5 20 IIBD CCOc1cc(N2CCN(C(=O)Cc3c(C)nc4ccccc4c3C)CC2)ccc1[N+](=O)[O-] 619450485 LYTWFVOZJKERCX-UHFFFAOYSA-N 448.523 4.050 5 20 IIBD COc1ccc(OC)c(NC(=S)/C(=C(/O)c2ccc([N+](=O)[O-])cc2)[n+]2ccccc2)c1 726570910 UCRKOLZMMPQQIW-UHFFFAOYSA-O 438.485 4.223 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 730612022 KTVBZVCKTLWYNB-ZIAGYGMSSA-N 439.251 4.196 5 20 IIBD O=C(N[C@@H](C(=O)OCc1c(F)cccc1[N+](=O)[O-])c1ccccc1)OCc1ccccc1 738740220 FDRFRBWHBOEEBX-OAQYLSRUSA-N 438.411 4.445 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCc1cc(F)ccc1N1CCOCC1 740871238 WGYRMQNZYSVJLP-UHFFFAOYSA-N 444.341 4.110 5 20 IIBD CCOc1cc(NC(=O)NC[C@H](O)c2c(F)cccc2Cl)c([N+](=O)[O-])cc1OCC 741396608 ULRQKMCIGRXGLZ-HNNXBMFYSA-N 441.843 4.040 5 20 IIBD Cc1cc(Sc2ncccn2)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1F 742030489 XHMXGLMPPWSFGA-UHFFFAOYSA-N 434.474 4.093 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1 742994694 CWBNKVFRKBHBQO-QHCPKHFHSA-N 436.439 4.447 5 20 IIBD CCCN1CCN(c2ccc(NC(=O)NCc3cccc([N+](=O)[O-])c3)cc2Cl)CC1 743314647 LHXNOMFGGNCOIL-UHFFFAOYSA-N 431.924 4.102 5 20 IIBD O=C(O[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccc(Cl)cc1[N+](=O)[O-] 744620339 AWJIZKIZYWGOJE-INIZCTEOSA-N 440.786 4.202 5 20 IIBD C[C@H](OC(=O)c1ccc(N(C)C)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 744718315 YEOGLRHNJVXPPF-JTQLQIEISA-N 443.353 4.003 5 20 IIBD O=C(Cc1csc(-c2ccc3c(c2)OCO3)n1)OCc1cc(Cl)ccc1[N+](=O)[O-] 746070985 BUHWFXACQLQWGV-UHFFFAOYSA-N 432.841 4.386 5 20 IIBD Cc1ccccc1CN(C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 746178801 RZEBWAYJDNXMDI-UHFFFAOYSA-N 425.304 4.019 5 20 IIBD C[C@@H]1[C@H](C(F)(F)F)OC(=O)N1c1ncccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 746487725 SQCAYVXVJCBNSR-AMIZOPFISA-N 444.753 4.172 5 20 IIBD CN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 747710021 YJRUXINSKAJMQY-UHFFFAOYSA-N 446.529 4.190 5 20 IIBD C/C(=C\C(=O)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(C(F)(F)F)cc1 748384350 DHHXLKFXSXPHTN-JLHYYAGUSA-N 434.370 4.149 5 20 IIBD CC(C)N(C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1 751182445 RIDPMRCKFHNXIJ-MRXNPFEDSA-N 447.919 4.294 5 20 IIBD C[C@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 752923936 GUGSPGIXTDFOKV-HOTGVXAUSA-N 434.537 4.165 5 20 IIBD CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)ccc1Cl 752974687 BWHIMUCEZGOEHX-UHFFFAOYSA-N 446.312 4.184 5 20 IIBD C[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccccc1NS(=O)(=O)c1cccs1 755211134 OCZHIKUHENGBFF-GFCCVEGCSA-N 449.485 4.087 5 20 IIBD O=C(O)[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1ccc(SC(F)(F)F)cc1 756378707 HLIGGORHBGXTRO-QGZVFWFLSA-N 439.415 4.474 5 20 IIBD C[C@H](OC(=O)Cc1ccccc1NC(=O)OC(C)(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 756458917 GLPDVZKXSNIQLT-AWEZNQCLSA-N 443.456 4.055 5 20 IIBD C[C@@H](OC(=O)c1c[nH]nc1-c1ccccc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 756602553 SGURWSRMKPDPTE-SNVBAGLBSA-N 449.250 4.476 5 20 IIBD COCCN(C(=O)CC1CCC(OC)CC1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 759758043 NVPOAZDFDTWSCH-UHFFFAOYSA-N 433.530 4.293 5 20 IIBD O=C(CC1CCCC1)NC1CCC(C(=O)O[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 759954265 WLXYOCSKVUXMLL-GUMHCPJTSA-N 446.548 4.074 5 20 IIBD CC[C@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@@H]1NC(=O)OC(C)(C)C 760886233 PTGHRSXQWPCACB-KXBFYZLASA-N 430.505 4.375 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc3ccccc3nc2Br)ccc1Cl 762505125 PXXRVGODQIXMOA-UHFFFAOYSA-N 442.678 4.360 5 20 IIBD O=C(N[C@H](c1cccc(F)c1)c1ccccn1)c1ccc(Br)c([N+](=O)[O-])c1 766563616 DUOXQMFHFYTGMH-GOSISDBHSA-N 430.233 4.411 5 20 IIBD CCN([C@H](c1cccnc1)c1ccc(F)cc1F)S(=O)(=O)c1csc([N+](=O)[O-])c1 768854258 RPJACURJTXNFBT-GOSISDBHSA-N 439.465 4.130 5 20 IIBD COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2C(C)C)ccc1[N+](=O)[O-] 770627323 KKTOHBHPHIMRJY-FQEVSTJZSA-N 440.525 4.158 5 20 IIBD COc1cc(C(=O)OCc2ccc(OCc3ccccc3F)nc2)c([N+](=O)[O-])cc1OC 771845391 JMXGOZRLFKVQFH-UHFFFAOYSA-N 442.399 4.082 5 20 IIBD CC(C)c1ncc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)s1 773198209 OZYMXBBTSOVFEY-VIFPVBQESA-N 431.392 4.378 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 777301183 HYHIMOZGQPEJKT-QGZVFWFLSA-N 446.525 4.194 5 20 IIBD Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2cnco2)cc1 777608114 BXJNYPXTCDHSKE-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 777943986 MGYRVVMEFPKVTC-GASCZTMLSA-N 431.439 4.443 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc1 778034035 IGNPXXTZUHGLCT-UHFFFAOYSA-N 435.427 4.393 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1I)c1nc(C2CC2)cs1 781191202 WQHDWYFFNCRWCV-QMMMGPOBSA-N 444.250 4.451 5 20 IIBD CC(C)(C)OC(=O)N1Cc2ccc(CNC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)cc2C1 781590639 WTICCUIPMBSFRG-UHFFFAOYSA-N 436.468 4.257 5 20 IIBD O=C(OCc1noc(-c2cccc(Cl)c2)n1)c1cccc([N+](=O)[O-])c1Br 781673922 YSMJZBAAKJTCEY-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD CCC[C@H](NC(=O)COC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccccc1 781675506 GCCQHQVGMBNGTC-HNNXBMFYSA-N 435.274 4.172 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 784088301 LHXBFVYEFNMCFW-OCCSQVGLSA-N 443.953 4.245 5 20 IIBD COc1cc(C(=O)OCc2nnc(-c3ccccc3Br)o2)cc([N+](=O)[O-])c1C 784943847 PQIXXBBMMUHIOB-UHFFFAOYSA-N 448.229 4.081 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCCCC[C@@H]1C[C@H](O)c1ccccc1 785222746 SHOFGICQZKNWLK-UZLBHIALSA-N 445.903 4.082 5 20 IIBD O=C(Cc1nc(COC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cs1)Nc1ccccc1 785933874 BZKMWNZAXADWCV-UHFFFAOYSA-N 445.884 4.172 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1Oc1ccncc1 786024590 WEPYDOPKUVAXPW-UHFFFAOYSA-N 434.452 4.179 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1 786129688 OXBHMZNFNBITHS-SFHVURJKSA-N 447.285 4.014 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C 789516069 HGRDVKGEPDBTTN-KRWDZBQOSA-N 448.541 4.109 5 20 IIBD COc1cc(C(=O)OCc2ccc(-n3ccnc3)cc2C)c([N+](=O)[O-])cc1OC(F)F 791282878 KPGJCBYCOBQZOT-UHFFFAOYSA-N 433.367 4.056 5 20 IIBD O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 791444326 WDHNHQXZHJZSIU-HXUWFJFHSA-N 449.419 4.108 5 20 IIBD CCOc1c(Cl)cccc1CC(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 791505123 XHYBYCIGIKLTQF-LLVKDONJSA-N 441.267 4.413 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2nnnn2C)ccc1-c1ccccc1 792835118 FGDIRULBOZKLPM-UHFFFAOYSA-N 446.492 4.497 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H]2CN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@@H]21 795098843 HNDHGZQAOUKUQS-LPHOPBHVSA-N 428.489 4.081 5 20 IIBD COc1cc([N+](=O)[O-])ccc1COC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 797471415 KDDJUKLTHKCRPY-UHFFFAOYSA-N 431.832 4.373 5 20 IIBD COCCCCN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Br)cn1 798242555 IBAAOVDTAAWWLU-UHFFFAOYSA-N 442.697 4.479 5 20 IIBD Cc1cccc(CN(Cc2ccco2)C(=O)C(=O)Nc2c(F)ccc([N+](=O)[O-])c2C)c1 800601807 YTRICDANGGMQHX-UHFFFAOYSA-N 425.416 4.111 5 20 IIBD O=C(OCc1c(F)cc([N+](=O)[O-])cc1F)c1ccc(CNC(=O)c2cccs2)cc1 803286328 MXTQKIGKUYUJPK-UHFFFAOYSA-N 432.404 4.222 5 20 IIBD O=C1C[C@H](c2noc(-c3cc([N+](=O)[O-])ccc3N3CCCCC3)n2)CN1Cc1ccccc1 809438932 GZAMYUXMQLFOTC-SFHVURJKSA-N 447.495 4.151 5 20 IIBD C[C@@H](NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ncc(-c2ccccc2)o1 809819781 FBBWDACLSNITON-SNVBAGLBSA-N 425.825 4.082 5 20 IIBD CC(C)c1scnc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 811264989 IJXFOAGJHPKWFW-SECBINFHSA-N 431.392 4.378 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)ccc1[N+](=O)[O-] 814430895 JKXOUYFPRLILBJ-RBUKOAKNSA-N 431.533 4.403 5 20 IIBD CN(C)c1cc(F)c(C(=O)O[C@H](C(=O)Nc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 814484731 KEHKLSCHCSROFH-NRFANRHFSA-N 437.427 4.337 5 20 IIBD C[C@@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccc(C(F)(F)F)nc1Cl 817875826 ZFWWGILDDMAFFI-SNVBAGLBSA-N 439.781 4.339 5 20 IIBD COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cc1 819916700 QNTFRQVJLTUCQA-UHFFFAOYSA-N 429.436 4.291 5 20 IIBD COc1cc(COC(=O)c2ccc(NC(=O)C(C)C)cc2)c([N+](=O)[O-])cc1OC(F)F 914929322 FBALCCRFHMONRO-UHFFFAOYSA-N 438.383 4.156 5 20 IIBD Cc1cc(NC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])ccc1[N+](=O)[O-] 916994932 FPZDPKWMGIFUOU-MRXNPFEDSA-N 430.417 4.016 5 20 IIBD O=C(OCc1c(Cl)nc2sccn12)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 917945353 XWAODOXVKPCTFG-UHFFFAOYSA-N 435.767 4.256 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)OCc3cccc(C(=O)N(C)C)c3)cc2[N+](=O)[O-])C1 918834665 PWRGJPDFULJHLI-IRXDYDNUSA-N 439.512 4.136 5 20 IIBD C[C@@H](OC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C(=O)Nc1ccc(Br)cc1 919523490 ZSXYSFZYNRXPOP-SNVBAGLBSA-N 432.230 4.023 5 20 IIBD C[C@H](OC(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1)C(=O)Nc1ccccc1[N+](=O)[O-] 919525006 CFFBZYCNZRLEBE-JTQLQIEISA-N 437.330 4.159 5 20 IIBD C[C@H]1Oc2ccccc2N(CCC(=O)Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])C1=O 920330776 NJFBQPRMCVFSAA-MRXNPFEDSA-N 432.432 4.371 5 20 IIBD COc1cccc([C@H]2CCCN2S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)c1 1322366804 ZILLXPXKSYSXQX-OAHLLOKOSA-N 431.297 4.436 5 20 IIBD COc1cc(CN2CCCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c([N+](=O)[O-])cc1OC 1326063143 XLCMQFDZLOOVID-UHFFFAOYSA-N 449.548 4.225 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H]1c1nnc(-c2cccc(Br)c2)o1 1345917695 LKBJKVCTJBFRPO-LBPRGKRZSA-N 449.286 4.446 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccc(C2(NC(=O)[C@H]3C[C@@]3(F)Cl)CCC2)cc1 1786208171 JRMPLHRKGYGAMS-ZSWIXMFSSA-N 447.850 4.260 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)NC1(c2ccc(NC(=O)[C@@H]3[C@@H]4C=CS[C@@H]34)cc2)CCC1 1791083553 DXICJWYQPZNIGH-KSEOMHKRSA-N 449.532 4.147 5 20 IIBD Cc1scc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccccc2[N+](=O)[O-])c1C 1804338891 ZUTYLUDUGULLOW-AZQHWYKZSA-N 439.537 4.238 5 20 IIBD Cc1occc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])[nH]n1 1816438063 KKEKSJRHLGQHAR-SQUSKLHYSA-N 449.467 4.239 5 20 IIBD CCC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(F)cc([N+](=O)[O-])c3)[nH]n2)CCC1 1818951049 YSRFRLUSICUVSZ-SFHVURJKSA-N 443.479 4.343 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)[nH]n1)c1ccc(C2CC2)cc1 1821306590 MBZYYOOFTCMOTA-LJQANCHMSA-N 448.483 4.143 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCCCN2C(=O)C2CCCCC2)CC1 1826279036 AMMHDCMFRFBLIN-QHCPKHFHSA-N 441.572 4.337 5 20 IIBD O=C([C@@H]1CCC[C@@H]2CCCC[C@H]21)N1CC2(CCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)C1 1841443975 NAUHAUHJLSAIIX-XIBVMXCTSA-N 441.528 4.011 5 20 IIBD O=C(COC(=O)CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(OC(F)F)c(Cl)c1 9352488 YDBRIGWMPSXREK-UHFFFAOYSA-N 446.815 4.124 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 10738836 RCPGCCVLDRLZIQ-FQEVSTJZSA-N 439.512 4.010 5 20 IIBD Cc1c(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cccc1[N+](=O)[O-] 11397938 RMAHCQLFLKLRTI-JTQLQIEISA-N 441.318 4.014 5 20 IIBD CCc1ccc(Cl)c(CC)c1NC(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 16209240 UAWMAGMMJVASTR-UHFFFAOYSA-N 443.887 4.388 5 20 IIBD Cn1c(SCC(=O)N2CCSc3ccccc32)nc2cc3ccccc3cc2c1=O 22254129 OGKWCTRZHVLELX-UHFFFAOYSA-N 433.558 4.318 5 20 IIBD COC(=O)c1ccc(OCC(=O)N2c3ccccc3CCc3ccccc32)c([N+](=O)[O-])c1 26561767 HCBWJBIGJXCYOO-UHFFFAOYSA-N 432.432 4.224 5 20 IIBD C[C@H]1C[C@H]1c1ccc(CN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C2CC2)o1 31740150 NSIVOZXZEYGORL-KBXCAEBGSA-N 439.468 4.191 5 20 IIBD Cc1ccc(CN2C(=O)c3ccccc3N[C@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 63494347 FTDSEACFBKHNDL-HSZRJFAPSA-N 431.448 4.441 5 20 IIBD CS(=O)(=O)c1cc(C(=O)Nc2nc(-c3cccc(Cl)c3)cs2)cc([N+](=O)[O-])c1 115860085 MBORGFWXZKNWKF-UHFFFAOYSA-N 437.886 4.028 5 20 IIBD COc1cc(C)c(CN(C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1OC 215706193 SVJGQUIUVJOWOA-UHFFFAOYSA-N 427.482 4.316 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@@H]2CCN(CC(F)(F)F)C2)cc1 237872820 OLAKPHJJMFBPQO-GOSISDBHSA-N 445.445 4.174 5 20 IIBD O=C(Nc1cccc(CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])c1)c1cccc(F)c1 301101377 QSGFJLURLKFXHW-UHFFFAOYSA-N 448.454 4.491 5 20 IIBD Cn1ccc2c(NC(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)cccc2c1=O 410369768 FWOHZVXSVAYYOY-UHFFFAOYSA-N 428.448 4.311 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2ccc3ccc(Cl)cc3n2)cc1[N+](=O)[O-] 410425036 APPJOFLRNUNCPG-UHFFFAOYSA-N 440.872 4.328 5 20 IIBD COc1cc(CN[C@H]2CCCC[C@@]2(C)C(=O)O)ccc1OCc1ccc([N+](=O)[O-])cc1 426750702 PQDFKHIUIPRJCN-JTHBVZDNSA-N 428.485 4.306 5 20 IIBD Cc1ccc(C)c([C@@H](C)N(C)C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1 430310518 BRUDZAZGQCFGRZ-CQSZACIVSA-N 448.317 4.441 5 20 IIBD C[S@](=O)Cc1cc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)ccc1Cl 431467177 YPFNNOSLGBBKLA-DEOSSOPVSA-N 431.695 4.142 5 20 IIBD Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CCc1cccc([N+](=O)[O-])c1 434334224 PLXJHGUECONAPO-JOCHJYFZSA-N 433.512 4.118 5 20 IIBD CC[C@@H](C)N(CC(=O)O)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 442741483 BBOJKRPMPBCCLM-GFCCVEGCSA-N 436.848 4.374 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nnc(-c3cc4cc(C)ccc4o3)o2)c1 443160890 QLQFCLMVQGVUCD-UHFFFAOYSA-N 428.426 4.117 5 20 IIBD C[C@@H](C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccc(Br)s1 443834228 ZCDZDCPANIVIEC-SECBINFHSA-N 427.276 4.322 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CC(OCCCc2ccccc2)C1 444113096 ZGCUEMALZDMWEH-UHFFFAOYSA-N 430.479 4.294 5 20 IIBD COc1nc(C)c(Br)cc1-c1noc(/C=C/c2ccc(F)cc2[N+](=O)[O-])n1 446000169 BURZFLRQNTZLHI-GQCTYLIASA-N 435.209 4.429 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(-c3ccncc3)cc2)c(C(F)(F)F)c1 447021819 AODXVGVVQUMHGO-UHFFFAOYSA-N 437.399 4.154 5 20 IIBD Cc1ccc(N[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1NC(=O)CN1CCCCC1 447603139 WVIISZTVLZUOSB-TZIWHRDSSA-N 440.548 4.120 5 20 IIBD C[C@@H]1CN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC2(CCOCC2)O1 448359803 PHHRKZJPUKYKST-LJQANCHMSA-N 448.523 4.217 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@@H]3c3ccsc3)n2C[C@@H]2CCOC2)c1 461590388 REXDUZJUAFVTHU-HNAYVOBHSA-N 425.514 4.293 5 20 IIBD CNS(=O)(=O)c1ccc(N[C@H](C)c2ccc(-c3ccccc3OC)cc2)c([N+](=O)[O-])c1 462888395 OFIXDTQFBXBSBT-OAHLLOKOSA-N 441.509 4.352 5 20 IIBD CCSCC[C@@H](C)NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 464692852 RZGAXEDLLIWQNQ-CYBMUJFWSA-N 433.496 4.478 5 20 IIBD Cc1c(C(=O)NC[C@@H](C)c2ccc(C(F)(F)F)cc2)nnn1-c1cccc([N+](=O)[O-])c1 468289143 KUIJDFNODVPCGM-GFCCVEGCSA-N 433.390 4.036 5 20 IIBD CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)CC2 470122036 RUZOHHLXFLEASH-IBGZPJMESA-N 446.504 4.231 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)Cc1cc(Br)ccc1F 471051008 VDOXKMJTVVSDLH-NSHDSACASA-N 425.254 4.256 5 20 IIBD CC(C)(NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1cccc(Cl)c1F 471657723 ZBDBQTKHLCSTIC-UHFFFAOYSA-N 435.839 4.127 5 20 IIBD Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)s2)cc1 472627237 ZWKAOMHZGWOJKN-GFCCVEGCSA-N 442.472 4.290 5 20 IIBD CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 475091079 QYSVQYNZTODSGH-HKUYNNGSSA-N 441.532 4.158 5 20 IIBD CC(C)C[C@@]1(CO)CCCN1C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 476474554 YVYZIUNDNJMXMS-LJQANCHMSA-N 441.315 4.101 5 20 IIBD CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 478831470 YIKQTZYNOPUFQH-UHFFFAOYSA-N 437.418 4.378 5 20 IIBD CCOc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2cnccn2)cc1 479956612 ZJUMADQABQOYMI-UHFFFAOYSA-N 434.481 4.324 5 20 IIBD CCOc1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC 481338392 IYFWEMDRWBJGPH-CQSZACIVSA-N 441.513 4.391 5 20 IIBD CC(C)(C(=O)NCCCOc1ccc(C(F)(F)F)cn1)c1ccc([N+](=O)[O-])cc1F 482775400 WYTRUILAUXSGRZ-UHFFFAOYSA-N 429.370 4.011 5 20 IIBD Cc1ccccc1COc1cccc(NC(=O)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 483471631 FXGJWMFORZHFES-KRWDZBQOSA-N 433.464 4.298 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc(C)c1C 483755617 KFAIOTGYJUMPQV-UHFFFAOYSA-N 436.468 4.112 5 20 IIBD Cc1ccc(-n2ncc(NC(=O)C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)c2C(C)C)cc1 483869864 JHOIBDUXVRBRRF-KRWDZBQOSA-N 449.511 4.337 5 20 IIBD O=C(O)C[C@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccc(F)cc1 485537567 ALDHINURKBELKN-FQEVSTJZSA-N 437.427 4.292 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1sccc1Br 486576290 BCCRCDYTYQGGFR-UHFFFAOYSA-N 431.333 4.087 5 20 IIBD C[C@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 487209608 KQBSWCWCEXWUPN-BYPYZUCNSA-N 430.227 4.385 5 20 IIBD Cc1ccc([C@H](C)NC(=O)NCc2cccc(NC(=O)c3ccncc3)c2)cc1[N+](=O)[O-] 489268070 IWJFPXOFJZHIKB-INIZCTEOSA-N 433.468 4.111 5 20 IIBD COCc1c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)sc2cccc(F)c12 490372688 WJRCTKWFUQOQBG-UHFFFAOYSA-N 427.417 4.132 5 20 IIBD Cc1c(NC(=O)[C@H](C)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)cccc1[N+](=O)[O-] 490828718 YAPKCVNCVQHBSJ-GJZGRUSLSA-N 433.892 4.411 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 492938622 VUYIFWNCROOWGY-VQIMIIECSA-N 440.500 4.094 5 20 IIBD COc1cccc(CN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C2CCC(O)CC2)c1 493030223 GWDPRVWTCQYCPD-RPCJCACASA-N 441.528 4.488 5 20 IIBD C[C@@H](NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1cc(F)c(Cl)cc1Cl 494236673 FQDQXAQAGWZWQK-SNVBAGLBSA-N 430.267 4.345 5 20 IIBD CCOc1cc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])cc1OCC 504882939 QSBVXYDHDFKXSX-SFHVURJKSA-N 442.516 4.178 5 20 IIBD CCCC[C@@H](NC(=O)c1cc(C)cc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 505551435 SISDFVLQCBSKJU-JOCHJYFZSA-N 438.528 4.431 5 20 IIBD O=C(COc1c(Cl)cncc1[N+](=O)[O-])N(Cc1ccc(C(F)(F)F)cc1)C1CC1 506556479 SXUDYIJVGJXJQW-UHFFFAOYSA-N 429.782 4.232 5 20 IIBD O=C(CS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 509136157 HDTQEYSVVQGJBV-QGZVFWFLSA-N 443.308 4.039 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)c1ccccc1F 509155849 ULQAJYGWAJCAKV-LLVKDONJSA-N 442.228 4.480 5 20 IIBD O=C(Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1)c1cc([N+](=O)[O-])n[nH]1 509167538 NPKLLQKKMNBMTB-UHFFFAOYSA-N 439.815 4.458 5 20 IIBD COc1cc(OCC(=O)Nc2cc(Cl)ccc2Sc2nccn2C)ccc1[N+](=O)[O-] 509207050 HEMGWUXZJMRECE-UHFFFAOYSA-N 448.888 4.159 5 20 IIBD O=C(Nc1ccc(Br)c2cccnc12)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 511927095 UGGWUTOKEPVRCZ-UHFFFAOYSA-N 438.241 4.344 5 20 IIBD COc1cc(C(=O)N(C)[C@@H]2CCc3ccccc32)c([N+](=O)[O-])cc1OCc1cscn1 512647999 JBBHDUIQMGHYKW-GOSISDBHSA-N 439.493 4.398 5 20 IIBD C[C@@H](NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccccc1Oc1ccccc1 513470265 DOZWSPBAAZCHDA-OAHLLOKOSA-N 433.420 4.172 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N(Cc1cccs1)C[C@H]1CCCO1 514561647 RHCUKKNBOLHMHV-CQSZACIVSA-N 444.431 4.419 5 20 IIBD O=C(Nc1ccccc1Oc1cccc(F)c1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 516071629 MYXHMHLENAAZGT-UHFFFAOYSA-N 437.431 4.275 5 20 IIBD O=C(NC[C@@]1(CO)C[C@H]1c1ccccc1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 516123648 HGMKBELFEYZRQC-WIOPSUGQSA-N 431.492 4.103 5 20 IIBD CCN(C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccncc1 516599478 CPFQXXJZJIHUCY-UHFFFAOYSA-N 427.464 4.438 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 516783114 XVNBGDKAZXVYOZ-GFCCVEGCSA-N 437.930 4.426 5 20 IIBD O=C(Nc1nnc(-c2ccccn2)s1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 518312510 HPGRMJOZRNWTPQ-UHFFFAOYSA-N 432.465 4.373 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2c(C)cnn2[C@@H]2CCCc3ccccc32)cc1C 518586190 KRULAOSOOGOERR-LJQANCHMSA-N 440.525 4.443 5 20 IIBD O=C(NC[C@@H](CO)Cc1ccncc1Cl)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 519665914 AAIQXQUUUJGOEI-HNNXBMFYSA-N 441.871 4.017 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccn(Cc2ccccc2)n1 520048450 OVOAGIRTWXEZNH-UHFFFAOYSA-N 448.405 4.092 5 20 IIBD O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1cc2cc(Br)ccc2[nH]1 523163409 KQYDRNOPNIMCOO-UHFFFAOYSA-N 426.230 4.481 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCCc2ccc3ccccc3c2)ccc1[N+](=O)[O-] 523252914 HGXXFURRVYQKGD-HSZRJFAPSA-N 431.492 4.020 5 20 IIBD CC(C)(C(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1)c1ccc([N+](=O)[O-])cc1 523494019 KDLOEZJQLJTRBT-UHFFFAOYSA-N 430.464 4.109 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(CSC2CCCCC2)c1 524205239 YRZJCTLVPNJWEB-UHFFFAOYSA-N 441.553 4.458 5 20 IIBD O=C(c1ccccc1[N+](=O)[O-])N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 531984426 RJUVEBUZGKNPQR-UHFFFAOYSA-N 445.519 4.159 5 20 IIBD O=C(Nc1cc(Cl)ccc1O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 532837611 QGETYPHARVWOQP-UHFFFAOYSA-N 438.267 4.098 5 20 IIBD COc1ccc(C[C@H](C)CN(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1 534158950 KIWFLIPKSDJSIT-AWEZNQCLSA-N 435.318 4.246 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cc(F)ccc1NC(=O)c1ccccn1 534622967 QZVJGFALEKCIPW-UHFFFAOYSA-N 433.399 4.044 5 20 IIBD C[C@](O)(CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)C(F)(F)F 535573654 BSMYANDBMFYNOL-INIZCTEOSA-N 434.823 4.443 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 536275171 NHWFUZRQVHDROF-HXUWFJFHSA-N 444.894 4.364 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(C[S@](=O)Cc3nn(-c4ccccc4)c4c3CCC4)co2)cc1 536736168 BHWMAEVWSNOJFI-YTTGMZPUSA-N 448.504 4.373 5 20 IIBD C[C@@H](CCO)C1(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CCC1 538360899 TVPYUIKGFOTLJC-DLBZAZTESA-N 426.517 4.082 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](C)c1nc(-c2ccccc2)cs1 541659997 DAOUBFQKNCQOME-KGLIPLIRSA-N 426.498 4.405 5 20 IIBD C[C@@H](C(=O)N(C)CCOc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1F 542634057 BTSGBYBCVXATDB-GFCCVEGCSA-N 425.254 4.137 5 20 IIBD CCc1ccc([C@@H](NCCS(=O)(=O)c2ccc(F)cc2)c2ccc([N+](=O)[O-])cc2)o1 544381534 BGYNRYXSTKLEAN-NRFANRHFSA-N 432.473 4.042 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H]2CC(=O)N(c3cccc(Br)c3)C2)n1 544758079 VRMQGDJQKSECTD-LBPRGKRZSA-N 443.257 4.236 5 20 IIBD O=C1C[C@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CN1Cc1cccc(C(F)(F)F)c1 544933296 OYIQRDPAPAKBOU-AWEZNQCLSA-N 432.358 4.180 5 20 IIBD Cc1ccn(-c2ccc(-c3nc(Cc4ccc([N+](=O)[O-])cc4Br)no3)cc2)n1 545013281 LQFKWAKDROHTEU-UHFFFAOYSA-N 440.257 4.492 5 20 IIBD COc1ccc(CSCc2nc(Cc3csc([C@@H](C)OC)n3)no2)cc1[N+](=O)[O-] 545821261 TVHDKTRQXCKEHB-LLVKDONJSA-N 436.515 4.175 5 20 IIBD Cc1c(-c2nc(-c3cccc(-c4cscn4)c3)no2)nnn1-c1cccc([N+](=O)[O-])c1 545851939 GTPNGVUIGDEVGZ-UHFFFAOYSA-N 431.437 4.324 5 20 IIBD COc1ccccc1Oc1ccc(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1 546769061 BUKBOLVLYFQZED-UHFFFAOYSA-N 428.466 4.015 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1OCCc1nc(-c2ccc(OC3CCOCC3)cc2)no1 547207939 LSXUYNNAPWBUIS-UHFFFAOYSA-N 445.859 4.478 5 20 IIBD Cn1c(SCc2coc(-c3ccc(F)c(F)c3)n2)nc2cc([N+](=O)[O-])ccc2c1=O 547231437 MGPPFQPYRUFYRN-UHFFFAOYSA-N 430.392 4.067 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(Cc3nc(-c4ccccc4)no3)CC2)nc1-c1ccccc1 551239039 YZXWRIJVDZLYHC-UHFFFAOYSA-N 442.479 4.029 5 20 IIBD COCC[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 551723827 HJQMDDDEYAMTQI-GOSISDBHSA-N 426.300 4.232 5 20 IIBD CC(C)n1nccc1[C@H]1OCC[C@@H]1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 552873645 DZSMAFYQAZLAFN-REWPJTCUSA-N 449.511 4.244 5 20 IIBD C[C@H](Oc1ccc(Cl)c2ccccc12)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 557912373 ZBTRFYXECDGQEW-AWEZNQCLSA-N 428.876 4.229 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cc(F)c(Cl)cc1N1CCOCC1 566999161 RMMNXTBFVBIXFC-UHFFFAOYSA-N 428.247 4.059 5 20 IIBD CCOc1cc(Br)c(F)cc1N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 570094829 NSCGCRHKGJACEC-SNVBAGLBSA-N 426.242 4.334 5 20 IIBD O=C(CN[C@H](c1c(Cl)cccc1Cl)C1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 574797866 LTMXRQXVGUGNSD-IBGZPJMESA-N 438.267 4.310 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)c1 578935841 UJLJRVWDESAHJX-IBGZPJMESA-N 440.443 4.467 5 20 IIBD CSc1cccc([C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])c2cc(F)ccc2F)c1 578988381 JUMWUGCQRWHNSC-KRWDZBQOSA-N 430.436 4.290 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccccc2CN2CCOCC2)no1 582637416 GZPPYRBXQSEWSI-AWEZNQCLSA-N 444.875 4.270 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2cccnc2S[C@H](C)C(=O)N2CCCC2)n1 583466814 YDMGKVGTRLOAHN-CQSZACIVSA-N 439.497 4.118 5 20 IIBD O=C(NC[C@@H](CO)c1ccc(Cl)cc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 588786862 YWRXCAKJFVSGJJ-SFHVURJKSA-N 440.883 4.333 5 20 IIBD O=[N+]([O-])c1c[nH]c2ccc(Br)cc2c1=NCc1ccnc(N2CCCCC2)c1 603866270 SYZNOFFPVFMLJA-UHFFFAOYSA-N 442.317 4.325 5 20 IIBD CC1CCN(c2ccc(C(=O)NCc3ccnc(N4CCCCC4)c3)cc2[N+](=O)[O-])CC1 603922684 YDIHRACVKPYCRI-UHFFFAOYSA-N 437.544 4.146 5 20 IIBD COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1NC(=O)c1cccc(F)c1 603962170 IKYIHDYCZJJBDP-UHFFFAOYSA-N 427.363 4.386 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 603977161 VNLALQYLVDQDPN-UHFFFAOYSA-N 435.477 4.362 5 20 IIBD C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)Nc2ccccc2)cc1 604033557 QXKQWMGKRDVIBE-HNNXBMFYSA-N 440.481 4.278 5 20 IIBD CCc1oc2ccccc2c1CN(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 604165411 XUWSBIYSBQSQER-UHFFFAOYSA-N 447.394 4.102 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CCCc1cc(-c2ccc(F)cc2)no1 608781576 FMVAEXGUHHHCJC-UHFFFAOYSA-N 447.488 4.205 5 20 IIBD CN(Cc1nccn1CC(F)(F)F)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 609028008 LPCBJWAISLQURP-UHFFFAOYSA-N 433.390 4.369 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1cccc(OCC(F)(F)F)c1C 609041967 PVZAPTAMPUGTSO-GFCCVEGCSA-N 427.379 4.292 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cc1C 609770281 KEETZYUEAOYJJD-OAHLLOKOSA-N 429.498 4.270 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 610221644 CXLRCJCROQIPIY-UHFFFAOYSA-N 426.476 4.366 5 20 IIBD COCCN(C(=O)C[C@H](C)c1ccncc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 610722466 RDLFCKMQDAOZJO-HNNXBMFYSA-N 426.498 4.287 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN3CCc4c(F)cc(Br)cc4C3)o2)cc1 610729063 HOZVGWYXMNUMJP-UHFFFAOYSA-N 433.237 4.105 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N1CCC[C@H](C[C@@H]2CCOC2)C1 611339216 TZWRUYIGWAUATM-MSOLQXFVSA-N 445.541 4.039 5 20 IIBD CO[C@@H]1CCCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 611988402 NWTZHXYFPGXJIS-OAHLLOKOSA-N 431.876 4.142 5 20 IIBD COc1cccc(CC2CCN(C(=O)c3cc(SC)c(OC)cc3[N+](=O)[O-])CC2)c1 612217954 SWGRTOSXUICMDT-UHFFFAOYSA-N 430.526 4.429 5 20 IIBD CCCOc1cc(NC(=O)N2CCOC[C@@H]2c2ccco2)c([N+](=O)[O-])cc1OCCC 614128913 KPDMDJIUUNCNJE-QGZVFWFLSA-N 433.461 4.371 5 20 IIBD O=C(N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 725869677 YRRKTNHAMCBVNX-IEBWSBKVSA-N 434.418 4.001 5 20 IIBD Cn1c(-c2cccc(OS(=O)(=O)c3cccc(F)c3[N+](=O)[O-])c2)nc2ccccc21 728297297 OVZXGBHJZCKTEF-UHFFFAOYSA-N 427.413 4.055 5 20 IIBD C[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccc(C(F)(F)F)cc1 728322160 MYBUNOPITMKZSI-DGCLKSJQSA-N 440.349 4.410 5 20 IIBD CCNc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1[N+](=O)[O-] 728478234 SFYMFXLQGFETPJ-UHFFFAOYSA-N 430.420 4.080 5 20 IIBD C[C@@H](OC(=O)Cc1ccccc1Br)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 729729808 ACYQAXXSNDKYOT-SNVBAGLBSA-N 441.665 4.124 5 20 IIBD O=C(c1cc(NCCc2ccc(Br)cc2F)ccc1[N+](=O)[O-])N1CCCC1 731029090 UIQAUYMBFBMMLS-UHFFFAOYSA-N 436.281 4.387 5 20 IIBD O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1[nH]c2ccc(Cl)cc2c1Cl 731511826 PPONVXVMARSIQR-OAHLLOKOSA-N 434.235 4.345 5 20 IIBD O=C(NCCSCCOc1cccc(Br)c1)c1cc(F)ccc1[N+](=O)[O-] 732163787 KZXLBPDQSJSYTR-UHFFFAOYSA-N 443.294 4.038 5 20 IIBD CCc1cc(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)n[nH]1 732791518 CFJUMVIFBJELLN-UHFFFAOYSA-N 430.848 4.265 5 20 IIBD Cc1nn(-c2ccccc2)c(Cl)c1COC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 735353769 CMBKPVILXCMQDJ-UHFFFAOYSA-N 438.827 4.353 5 20 IIBD C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1cccc(Cl)c1Cl 735459328 PKFQCCCAQPDIOI-QWRGUYRKSA-N 440.258 4.271 5 20 IIBD O=C(Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1)c1csc([N+](=O)[O-])c1 735637807 MVLUYBBVXFEEIG-UHFFFAOYSA-N 425.382 4.263 5 20 IIBD COc1ccc([C@@H]2[C@@H](COC(=O)c3cc(SC)ccc3[N+](=O)[O-])CCC(=O)N2C)cc1 735785241 ULVRRCJZALXCAV-QVKFZJNVSA-N 444.509 4.092 5 20 IIBD C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 738806364 FNRXKXFZFQOCGV-FZKQIMNGSA-N 436.386 4.141 5 20 IIBD CC(C)c1ccc(N2CC[C@H](C(=O)OCc3cnc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1 744157844 XCZGJZJLDSRZHM-NRFANRHFSA-N 449.463 4.470 5 20 IIBD COc1ccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1SC(F)(F)F 744408071 VQCYEPCLWAEPEK-ZDUSSCGKSA-N 428.436 4.297 5 20 IIBD CC(C)(C)[C@H](NC(=O)COC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1cccs1 744615126 RMIHPYPLFDGNGX-HXUWFJFHSA-N 429.498 4.058 5 20 IIBD C[C@H](OC(=O)c1ccccc1-c1nc(C(C)(C)C)no1)C(=O)Nc1ccc([N+](=O)[O-])cc1 744933563 UFYXQWOVOVKFGQ-ZDUSSCGKSA-N 438.440 4.126 5 20 IIBD O=C(OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 745348415 CDKQLBVUBOMACG-IRXDYDNUSA-N 435.263 4.138 5 20 IIBD O=C(CCc1nc2cc(Br)ccc2s1)OCC(=O)c1ccc([N+](=O)[O-])cc1 745648270 DKMMXVDUHQBBRP-UHFFFAOYSA-N 449.282 4.326 5 20 IIBD Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C1\N=C(c2cccc([N+](=O)[O-])c2)OC1=O 746273165 MTPBORIFSUNNKB-ZDLGFXPLSA-N 440.818 4.285 5 20 IIBD C[C@@H](OC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](C)c1nc2ccccc2s1 749215811 ABZWMQHGQTUSOH-VXGBXAGGSA-N 445.522 4.131 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)N(C)C(c1ccccc1)c1ccccc1 749786243 WOHDUMOQYUIRRF-UHFFFAOYSA-N 434.448 4.008 5 20 IIBD Cc1c(C(=O)OCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cccc1[N+](=O)[O-] 750111987 YFJLZQPLNCIZSS-UHFFFAOYSA-N 439.449 4.013 5 20 IIBD Cc1ccc([C@H](C)NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1[N+](=O)[O-] 752052658 AHFSPANTMKWQGQ-HNNXBMFYSA-N 448.504 4.219 5 20 IIBD Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2Br)c(OC[C@H]2CCCO2)c1 753801300 DWKPTMDQOBYHPS-CYBMUJFWSA-N 435.274 4.476 5 20 IIBD COc1ccc(NC(=O)CNc2cc(NC(=O)OC(C)(C)C)ccc2C)c([N+](=O)[O-])c1 753909230 WDHJCIDMMOMBRN-UHFFFAOYSA-N 430.461 4.309 5 20 IIBD C[C@@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[C@@H](O)c1c(F)cccc1Cl 755027827 BZYRXYMMMNLGMD-ANRSDYALSA-N 446.660 4.393 5 20 IIBD C[C@@H](C(=O)OCC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1F 755058870 FWPIPVVLAPLAFI-LLVKDONJSA-N 443.258 4.346 5 20 IIBD C[C@H](CSc1ccc(F)cc1)C(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 756256481 PUPMKIUEGOZEPU-OAHLLOKOSA-N 433.505 4.317 5 20 IIBD O=C(CCc1ncc(-c2ccc(F)cc2F)o1)O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 759933029 RLYCUJHHWSQPTB-SJORKVTESA-N 446.410 4.384 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 761492796 OJWOTWPCFDTYAL-KRWDZBQOSA-N 446.459 4.420 5 20 IIBD COc1cc(-c2noc(-c3cc([N+](=O)[O-])ccc3I)n2)ccc1F 761616177 XTAAZYNIRIIGGR-UHFFFAOYSA-N 441.156 4.064 5 20 IIBD CC(C)(C)OC(=O)N1CCC(Cc2noc(Cn3ccc4cc([N+](=O)[O-])ccc43)n2)CC1 761757363 XLRAKFHUDNKLER-UHFFFAOYSA-N 441.488 4.170 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@@H](c2nc(Cc3nc4cc(F)ccc4s3)no2)C1 762035979 UJSICTUIRGFNKB-OAHLLOKOSA-N 425.401 4.183 5 20 IIBD Cc1ccc(N2C[C@H](c3nc(Cc4c[nH]c5ccc([N+](=O)[O-])cc45)no3)CC2=O)cc1F 762311014 YLQZCTKWNGPEOC-CQSZACIVSA-N 435.415 4.018 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 763583639 VTHRKPNYYGJABN-IBGZPJMESA-N 431.533 4.071 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1nc(-c2cccc(Cl)c2)no1 763812878 XXZXQPGXOPODCR-UHFFFAOYSA-N 449.872 4.394 5 20 IIBD C[C@@H](C(=O)OC[C@@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 764018554 MSKKTEXQDSQCOJ-BFUOFWGJSA-N 446.422 4.431 5 20 IIBD CC(C)COC(=O)Nc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1 766362705 LFEDQGGBFOXINX-UHFFFAOYSA-N 444.469 4.148 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1 766576209 FUPWXVVDIPYACM-UHFFFAOYSA-N 444.309 4.197 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 769895025 JILHUYLIYQEYRM-JXFKEZNVSA-N 438.933 4.345 5 20 IIBD COc1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1NS(C)(=O)=O 770514303 PXQXLEOWEFZIQO-UHFFFAOYSA-N 433.511 4.316 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 771926580 GZOOUFHEEIOWON-LLVKDONJSA-N 442.419 4.411 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NOC1CCOCC1 775242071 XYHGFKBMKGOTDD-DTQAZKPQSA-N 439.493 4.362 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1 775357823 OQPQZZSYIVAMNH-INIZCTEOSA-N 431.508 4.333 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)c2csc3ccccc23)cc1[N+](=O)[O-] 777936165 BXIUSUBEKHHACH-NSHDSACASA-N 435.483 4.027 5 20 IIBD COc1ccc(-c2noc(CCCC(=O)OCc3ccc([N+](=O)[O-])cc3Cl)n2)cc1 778088014 PACUNDZEUKMOKW-UHFFFAOYSA-N 431.832 4.373 5 20 IIBD CC1(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCN(C(=O)OC(C)(C)C)CC1 781040823 NKOZOASKCVWOGI-UHFFFAOYSA-N 435.524 4.201 5 20 IIBD Cc1nc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Br)ccc2s1 781117737 TXKRVBFARUKARP-UHFFFAOYSA-N 428.289 4.076 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCc1c(C(F)(F)F)nn(C)c1Cl 782320984 LVLGGCMPEAOUEQ-ZETCQYMHSA-N 442.177 4.165 5 20 IIBD COCc1nc(COC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)cs1 782807365 PONOUJUYROIZGP-UHFFFAOYSA-N 430.438 4.356 5 20 IIBD COc1ccc(-c2noc([C@@H](C)OC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)n2)cc1 783322802 WBYOFDAQGMWECW-GFCCVEGCSA-N 442.384 4.096 5 20 IIBD Cc1cc(C(=O)CCC(=O)OC[C@@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])c(C)s1 783380001 XQSJIHMFXYUZJM-INIZCTEOSA-N 444.509 4.084 5 20 IIBD O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1nc(Br)sc1C1CC1 788293578 QLMAPSGOCXOYJJ-UHFFFAOYSA-N 434.275 4.334 5 20 IIBD C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 789086232 SBVLNLVAEKNNBO-ZDUSSCGKSA-N 432.864 4.107 5 20 IIBD O=C(Nc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)c1)C1CC1 791430712 FBODORBAUFLVIR-UHFFFAOYSA-N 430.269 4.051 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1cc(C2CC2)cnc1Cl)c1ccccc1[N+](=O)[O-] 792882348 QFXQAOGXQNHQFO-KRWDZBQOSA-N 431.876 4.333 5 20 IIBD CC(C)(C)OC(=O)NCc1ccccc1OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 795228612 MJAQYNACESUHAM-UHFFFAOYSA-N 435.864 4.290 5 20 IIBD CC(C)n1c(S)nnc1CCNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] 799624078 VRMBHJCCFYQUPT-UHFFFAOYSA-N 443.554 4.180 5 20 IIBD Cc1cc(=O)cc(C)n1CCCC(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811218223 RJHCIXGMPIBSKA-UHFFFAOYSA-N 427.482 4.020 5 20 IIBD CN(C(=O)OC(C)(C)C)c1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 811288430 HRMGNTVBYAOFNH-UHFFFAOYSA-N 437.430 4.293 5 20 IIBD C[C@@H](OC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(N(C)C)cn1 813255083 ZKWLNNLPCXCZBZ-LLVKDONJSA-N 429.420 4.471 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccc(N2CCCOC2=O)cc1 814356378 WRJDSMXYLPGCGI-LBPRGKRZSA-N 448.273 4.195 5 20 IIBD C[C@H](OC(=O)c1cnc2c(F)ccc(F)c2c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 815355016 LRYZTGRKTOSKNI-JTQLQIEISA-N 426.335 4.389 5 20 IIBD CNC(=O)c1cc(Oc2ccc(N[C@@H](C)c3ccc(N)c([N+](=O)[O-])c3)cc2F)ccn1 815628406 ZCHYCMHHYMTBRX-LBPRGKRZSA-N 425.420 4.036 5 20 IIBD O=C(c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O)N1CCC[C@@H](c2ccccc2)C1 817107902 SKSOQIGUSJNJKN-OAHLLOKOSA-N 426.860 4.159 5 20 IIBD CC(C)[C@@H](OC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(=O)Nc1ccccc1Cl 915469356 BMBGJXITZHWIMU-LJQANCHMSA-N 442.859 4.254 5 20 IIBD O=C(NCC1(c2ccc(Br)cc2)CCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 918392689 WGRXYKZVVQWIJH-UHFFFAOYSA-N 434.246 4.117 5 20 IIBD CCc1c(C(=O)OCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cnn1C(C)(C)C 919389792 PYYCFODGIZDUAD-UHFFFAOYSA-N 427.404 4.076 5 20 IIBD Cc1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1NC(=O)CN1CCCCC1 921267907 FRGHXMICUNKHMM-UHFFFAOYSA-N 427.530 4.137 5 20 IIBD CCOc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1OC 1317736780 YHIXNHJGMFLJKA-UHFFFAOYSA-N 427.501 4.265 5 20 IIBD C[C@H](OC(=O)c1ccc(Cn2cccc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 1318264413 NZQUXXSUIRPZOB-AWEZNQCLSA-N 427.844 4.282 5 20 IIBD C[C@@H]1CCc2ccccc2N1CCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 1321770826 VDSBEJPYUNIGES-CQSZACIVSA-N 437.418 4.107 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)O[C@@H]2CCSc3ccccc32)ccc1[N+](=O)[O-] 1324606364 XKYSUCIMVVKGMC-RTBURBONSA-N 426.494 4.288 5 20 IIBD O=C1CC[C@]2(c3nnc(COc4ccccc4[N+](=O)[O-])o3)Sc3ccc(Cl)cc3N12 1326513059 HATAEUFBZXFHHA-LJQANCHMSA-N 444.856 4.296 5 20 IIBD O=C(c1ccc(Cl)s1)N1CCC(c2nnc(COc3ccccc3[N+](=O)[O-])o2)CC1 1333078193 QIFUAWWUFGONQL-UHFFFAOYSA-N 448.888 4.292 5 20 IIBD O=[N+]([O-])c1ccccc1OCc1nnc(-c2cc(OC(F)F)cc(OC(F)F)c2)o1 1345519776 OIHZNBVHTZEJLE-UHFFFAOYSA-N 429.282 4.427 5 20 IIBD O=C(NC1(c2ccc(NC(=O)C3(c4ccccc4)CC3)cc2)CCC1)c1ccc([N+](=O)[O-])[nH]1 1785858246 DHKFQMRIGKWICE-UHFFFAOYSA-N 444.491 4.402 5 20 IIBD Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])[nH]4)cc3)CCC2)cc1F 1790187202 FSJXHSDDYPJYEV-UHFFFAOYSA-N 436.443 4.432 5 20 IIBD CC1(C)CCC(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)C3)CC1 1800227688 IXRBPRFFJBFBGX-BKJBBLARSA-N 443.544 4.446 5 20 IIBD O=C(/C=C/c1ccccc1)N1CCC2(CCCN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)C2)CC1 1805682253 LPGSOOBGARPCSB-AMMQDNIMSA-N 449.507 4.146 5 20 IIBD Cc1cccc(F)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 1832548930 ZFVGVXQZVNTKSY-GOSISDBHSA-N 443.475 4.182 5 20 IIBD CCCn1c(SCC(=O)Nc2c(C)cccc2[N+](=O)[O-])nc2cc(Cl)ccc2c1=O 9398688 IBWPFCYQXKPNHN-UHFFFAOYSA-N 446.916 4.407 5 20 IIBD Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2cccc([N+](=O)[O-])c2C)cs1 11398027 YYYRIHOBKSPHCM-UHFFFAOYSA-N 425.466 4.206 5 20 IIBD Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1[N+](=O)[O-] 15409072 OZJKSZAZRGDBMO-UHFFFAOYSA-N 445.541 4.066 5 20 IIBD Cc1c(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 15995774 DHUFOGUHXUYIGO-UHFFFAOYSA-N 436.428 4.049 5 20 IIBD C[C@H](Sc1nnc(COc2ccccc2Cl)n1C)C(=O)Nc1ccccc1[N+](=O)[O-] 25043400 ANONBXXBIFQFCE-LBPRGKRZSA-N 447.904 4.075 5 20 IIBD COc1ccc(NC(=O)CCSc2nnc(-c3ccccc3Cl)n2C)c([N+](=O)[O-])c1 26264839 PTWWLTDWOLUFCF-UHFFFAOYSA-N 447.904 4.173 5 20 IIBD CCCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nc2ccccc2c1=O 36809068 GXTACIDLQTWRIO-UHFFFAOYSA-N 432.889 4.099 5 20 IIBD Cc1ccc(NC(=O)C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCC2)cc1[N+](=O)[O-] 63226772 NFNQZLXRYPOHPR-UHFFFAOYSA-N 449.429 4.489 5 20 IIBD COc1ccc([C@@H]2CCCCCN2C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)cc1 71833894 GUQDCOZFNBIWQL-NRFANRHFSA-N 435.484 4.250 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1cccc(Oc2ccncc2)c1 78991999 BVQUJBRKIBKOLP-UHFFFAOYSA-N 434.408 4.109 5 20 IIBD Cc1ccc(C)c(OCc2nnc(Sc3ncc([N+](=O)[O-])cc3Br)o2)c1 301567842 VZICQRFGNLAPOS-UHFFFAOYSA-N 437.275 4.482 5 20 IIBD O=C(Nc1ccc(F)cc1)c1ccc(CNc2cc3ncnc(O)c3cc2[N+](=O)[O-])cc1 301658115 LRXMLONXDRIMCC-UHFFFAOYSA-N 433.399 4.247 5 20 IIBD CS(=O)(=O)c1ccc(NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c([N+](=O)[O-])c1 301690577 YIMNWDJYWPJNNL-UHFFFAOYSA-N 443.456 4.002 5 20 IIBD O=C(NC1CC1)c1ccc(N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c([N+](=O)[O-])c1 301794474 SIYZQWOLJNATEF-GFCCVEGCSA-N 440.447 4.346 5 20 IIBD CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 302817087 XBPABGLAOOKLRZ-UHFFFAOYSA-N 434.477 4.487 5 20 IIBD O=[N+]([O-])c1ccc2c(c1N1CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn34)C1)CCN2 302828056 IHFRJTAQYLVBHO-GFCCVEGCSA-N 432.406 4.008 5 20 IIBD COc1ccc(-c2ccc(CNC[C@]3(CO)C[C@H]3c3ccc(F)cc3)o2)c([N+](=O)[O-])c1 428556377 FNYCJXPLFOUYBV-REWPJTCUSA-N 426.444 4.258 5 20 IIBD C[C@@H](O)CN(C)C(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2 428676664 ZHYAKCWJMINMSP-OKSBFYSISA-N 431.492 4.473 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C(=O)OC(C)(C)C)c2ccccc2)cc1SC 430483743 ZBZLRWPHWBSZEB-SFHVURJKSA-N 432.498 4.138 5 20 IIBD CCn1cccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c1=O 433185062 AALSIKTYGRGODV-UHFFFAOYSA-N 432.274 4.089 5 20 IIBD C[C@H](O)CCCNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 434136123 CZVXJCYVXUFBDS-LBPRGKRZSA-N 425.844 4.140 5 20 IIBD Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2cccc(OCc3ccccc3)c2)cc1[N+](=O)[O-] 434583438 ZIQDROAXRCFOHB-KRWDZBQOSA-N 433.464 4.298 5 20 IIBD O=C(c1ccc(Cl)cc1Cl)N1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 436304328 DLTYZNYXHYSJFU-UHFFFAOYSA-N 449.216 4.278 5 20 IIBD O=C(Nc1c(F)cc(F)cc1F)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 438512792 GSHMXFPCEOSBMT-UHFFFAOYSA-N 448.323 4.385 5 20 IIBD Cc1cc(Br)cc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 438663299 CWTAGTBDZGZXJQ-UHFFFAOYSA-N 434.290 4.041 5 20 IIBD CC(=O)N1CC[C@@H](NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c2ccccc21 444255498 AXDYGVUAVGLRHP-HXUWFJFHSA-N 429.451 4.048 5 20 IIBD CN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccc(OCc2ccccc2)cc1 444466812 ONBKYSMDFIVIEK-UHFFFAOYSA-N 429.436 4.031 5 20 IIBD O=C(Cc1noc(/C=C\c2cccc([N+](=O)[O-])c2)n1)Nc1ccccc1Br 445470675 KIWMUTSGUJGPTR-HJWRWDBZSA-N 429.230 4.092 5 20 IIBD CC[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)Oc1ccccc1F 445941855 PSJGYSFFONSNMY-AWEZNQCLSA-N 425.254 4.013 5 20 IIBD O=C(Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1 446424209 BKWPSNNKEFVNQX-UHFFFAOYSA-N 433.464 4.263 5 20 IIBD O=C(c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)N1CCc2ccc([N+](=O)[O-])cc2C1 446429791 OSDQBOVMUXGKTL-UHFFFAOYSA-N 449.467 4.242 5 20 IIBD C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 446448373 MXRMLJFNIRCHPS-NEPJUHHUSA-N 436.295 4.166 5 20 IIBD Cc1cc(C[C@H](C)NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)n(-c2ccccc2)n1 448168684 HAWOTKAIWNJFOD-ZDUSSCGKSA-N 443.301 4.212 5 20 IIBD C[C@H](c1ccsc1)N1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 463045040 UFGNWOJFISSOLB-CQSZACIVSA-N 428.539 4.299 5 20 IIBD CCCN(Cc1cc(OC)c(F)cc1[N+](=O)[O-])C1CCN(C(=O)c2ccccc2)CC1 464684206 QEDSLEVFRQBPNE-UHFFFAOYSA-N 429.492 4.259 5 20 IIBD C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1nc(C2CCCCC2)no1 464713011 PTZQNNMZJZTPOM-HNNXBMFYSA-N 427.505 4.119 5 20 IIBD O=C(COc1ccccc1NCc1cc([N+](=O)[O-])ccc1OC(F)F)Nc1cccnc1 468692540 DOUHAJPKYOSZDV-UHFFFAOYSA-N 444.394 4.221 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(OCc2ccccc2F)cc1 468740252 PVZHCXFVGBZQKO-UHFFFAOYSA-N 430.457 4.329 5 20 IIBD CC(C)CO[C@@H]1CCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 468931793 MDRITFGEHSTZJN-HSZRJFAPSA-N 448.523 4.264 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N(CC(F)(F)F)[C@@H]3CCOC3)cc2[N+](=O)[O-])n1 469050873 PKCJCBRHXHIWDZ-GFCCVEGCSA-N 447.460 4.304 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CCCC3(CCCCC3)CC2)cc1[N+](=O)[O-] 469968822 GELSRCYLPYUMQK-UHFFFAOYSA-N 429.546 4.451 5 20 IIBD CC[C@@H]1CN(C(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)CC[C@H]1c1ccccc1 470018596 PYUDGSRHLZFQLZ-UYAOXDASSA-N 446.507 4.105 5 20 IIBD Nc1c(Br)cc(Br)cc1CNCCc1ccc([N+](=O)[O-])cc1 470166064 RFWKLAJJRUWRJA-UHFFFAOYSA-N 429.112 4.034 5 20 IIBD O=C(NCc1ccc(Sc2ccc(F)cc2)cc1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 472696800 GBXQUMMBOCSXSI-UHFFFAOYSA-N 443.431 4.279 5 20 IIBD COC(=O)c1cc(NC(=O)c2c(-c3c(Cl)cccc3OC)noc2C)cc([N+](=O)[O-])c1 476097280 QZYPIAWAGRMRCL-UHFFFAOYSA-N 445.815 4.259 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 476378986 IZXVZQLHXPDDEP-UYAOXDASSA-N 437.496 4.201 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCc3csc(-c4ccco4)n3)cc2)c(C)c1[N+](=O)[O-] 478851058 BZQUHVFZPLQANC-UHFFFAOYSA-N 437.481 4.103 5 20 IIBD O=C(Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1ccc([N+](=O)[O-])cc1Br 479383719 WFQYAPSUHAXACE-UHFFFAOYSA-N 444.285 4.299 5 20 IIBD C[C@H]1CO[C@H](c2ccccc2Cl)CN1c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 480056350 JHCALATUSHZNKM-BTYIYWSLSA-N 429.904 4.451 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(NC(=O)c3cccs3)c2)c1C 480713771 YXWQZJFLAUFKIH-UHFFFAOYSA-N 431.495 4.326 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(C(=O)c2ccccc2)CC1 480816032 DPQWFZWFQHBGTI-UHFFFAOYSA-N 441.553 4.331 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(Cc2ccc(OC)cc2)CC1 482012706 FBMJZDMMNQDION-UHFFFAOYSA-N 429.542 4.064 5 20 IIBD CNC(=O)c1cc(Oc2cc(C)ccc2NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)ccn1 483109018 VDLXSFXQCSLGND-UHFFFAOYSA-N 440.843 4.356 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 483128504 GMMQXYTZXRQJAK-UHFFFAOYSA-N 441.340 4.371 5 20 IIBD O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 486071081 QMPFDBRVSAHVJQ-UHFFFAOYSA-N 426.860 4.422 5 20 IIBD Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 488045671 UMMRWTLALNBVCA-INIZCTEOSA-N 439.541 4.379 5 20 IIBD CN(CCCn1ccnc1)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 488263504 NGKGRBOZJVTOSC-UHFFFAOYSA-N 427.892 4.219 5 20 IIBD CCn1c(S[C@@H](C)C(=O)NCc2ccc(Cl)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 489420632 ALRGEWQDUQGJNM-ZDUSSCGKSA-N 445.932 4.324 5 20 IIBD C[C@H]1CSCCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 489538957 DNSAZWPDZRVYJL-QGZVFWFLSA-N 436.537 4.202 5 20 IIBD CCN(CC(=O)Nc1c(C)cccc1C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 489743394 PIBDDRXROJTPEO-HNNXBMFYSA-N 432.908 4.153 5 20 IIBD COc1cc(CN(C)Cc2ccc(Br)o2)c([N+](=O)[O-])cc1OCC(F)F 491194860 QJXRUBUFHDWNER-UHFFFAOYSA-N 435.221 4.235 5 20 IIBD CS(=O)(=O)c1cccc(NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c1[N+](=O)[O-] 497523571 MKHDSAXGTZMRFC-UHFFFAOYSA-N 443.456 4.002 5 20 IIBD C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)[C@@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)c2)C1 499165706 AXELSFKAOSUNMI-DRSNIGMVSA-N 439.512 4.447 5 20 IIBD C[C@@H](NC(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(Cl)c1Cl 502274716 YUBZHCYLKIKCAW-SNVBAGLBSA-N 444.702 4.091 5 20 IIBD CCN(C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)[C@@H](C)c1ccc(F)cc1 502448521 AXTSITAIJGDCFK-ZDUSSCGKSA-N 429.477 4.237 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)Cc1cccc(Br)c1 503281289 OVPNWKSZUYPEAF-LLVKDONJSA-N 427.682 4.437 5 20 IIBD C[C@H](c1ccc2ccccc2c1)N(C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C1CC1 509907102 DMAIZGNBNNOODT-MRXNPFEDSA-N 445.475 4.226 5 20 IIBD COc1cccc([C@H](CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)N(C)C)c1 512474436 NGVFFCAGVFXMDT-DEOSSOPVSA-N 448.523 4.248 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)cc1[N+](=O)[O-] 517554559 ZADLBDPLSXMDPW-UHFFFAOYSA-N 446.872 4.005 5 20 IIBD COc1cc(OCC(=O)N2CCC[C@H]2c2cccc(Br)c2)ccc1[N+](=O)[O-] 519978854 RWRFTFHVWMHGQT-INIZCTEOSA-N 435.274 4.108 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCCCN(C)C(C)C)cc1[N+](=O)[O-] 520359491 WKJZKDRSEXRQBX-UHFFFAOYSA-N 429.542 4.008 5 20 IIBD Cc1c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)nnn1-c1ccc(F)c(Cl)c1 521267216 RMYSERMKQUFWGR-UHFFFAOYSA-N 431.855 4.327 5 20 IIBD CC[C@H](C)[C@@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1 525076640 KYBBGMPJGGOXTD-HXPMCKFVSA-N 435.933 4.343 5 20 IIBD CN(C)C(=O)C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c2ccc(Cl)cc21 525539471 CJPDBGQSYFWOOC-CYBMUJFWSA-N 427.844 4.217 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@H]2c2ncc(-c3cccc(F)c3)[nH]2)c(F)c1 530441219 ABKLDSCYFTYVCO-SFHVURJKSA-N 448.451 4.179 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)NCc1cccc(Cn2cnc3ccccc32)c1 533980676 LCJFQMMOMPTTCH-UHFFFAOYSA-N 429.480 4.035 5 20 IIBD C[C@@H](NC(=O)C[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(Cl)cc1 534061048 LOZZEDBOQIHQHW-BRRNQIAESA-N 447.900 4.029 5 20 IIBD Cc1cc(C)cc(NC(=O)[C@@H](C)[S@@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1 534062964 WXVIPHXKGXQMGN-FOGNVHKLSA-N 427.482 4.143 5 20 IIBD C[C@H](c1nc(Cc2ccccc2)no1)[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534063574 XZZLWCVUVINNRJ-JKGBWWFKSA-N 438.465 4.234 5 20 IIBD CC(C)c1cc(Br)ccc1NC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] 534095563 KIYDDPRWAPOJTE-UHFFFAOYSA-N 434.290 4.078 5 20 IIBD CC(C)(C(=O)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1)n1cc([N+](=O)[O-])cn1 534969988 INAWHYJGSBXWDY-UHFFFAOYSA-N 441.193 4.413 5 20 IIBD COc1ccc(CN[C@@H](C)c2n[nH]c(C(C)C)n2)cc1OCc1ccc([N+](=O)[O-])cc1 536498206 PBVMRBAVGLRRAT-HNNXBMFYSA-N 425.489 4.275 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C 537167676 XPSKTFNVGABFKJ-HNNXBMFYSA-N 425.464 4.216 5 20 IIBD C[C@@H]1CCCN(c2ccc(C(=O)N[C@H]3CCO[C@H]3c3ccc(F)c(F)c3)cc2[N+](=O)[O-])C1 537313848 JIYWFEMJGZMZBI-LNHNDHHWSA-N 445.466 4.369 5 20 IIBD Cc1[nH]c2ccccc2c1C1CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC1 539610989 VQMQPFICWLXXDX-UHFFFAOYSA-N 448.523 4.241 5 20 IIBD CCOC(=O)c1cnc(C)c(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 539650624 BHSMKVBGUVPPJQ-UHFFFAOYSA-N 434.452 4.339 5 20 IIBD COc1ccc([C@@H](CN2CCCC2)NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])cc1 540567202 DLLHPWWOWVHLNL-JOCHJYFZSA-N 446.507 4.232 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(OCCN2CCCC2)CC1 540770902 YJCYNXCCJDSSBT-UHFFFAOYSA-N 435.590 4.204 5 20 IIBD Cc1c([N+](=O)[O-])cn(CCC(=O)Nc2cc(Cl)ccc2Cl)c(=O)c1Br 541286843 YLBCVVONPIMKAF-UHFFFAOYSA-N 449.088 4.163 5 20 IIBD CC1CCN(C2CCC(NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])CC2)CC1 541297108 IBEHLBRWACDEOW-UHFFFAOYSA-N 425.982 4.500 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@H]1c1cccc(Br)c1 542303565 MXFRXMWAUQRMJQ-KRWDZBQOSA-N 434.290 4.413 5 20 IIBD COc1ccc(NC(=O)C(=O)N(Cc2ccccc2)[C@@H](C)c2cccs2)cc1[N+](=O)[O-] 542996450 NGYBQEUSADKYSF-HNNXBMFYSA-N 439.493 4.393 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 543327199 PEPCUMCPCMILJP-UHFFFAOYSA-N 426.473 4.444 5 20 IIBD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)ccc21 543464594 ORUFRBIYNHPJSB-HNNXBMFYSA-N 440.475 4.299 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 543490997 PGFBZQXOADTVFT-CYFREDJKSA-N 430.479 4.330 5 20 IIBD C[C@@H](c1ccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCOCC1 544077493 VZKPVLVCNXBOMY-AWEZNQCLSA-N 435.933 4.372 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 546067263 ANQAEORYOVJDOO-FQEVSTJZSA-N 432.448 4.276 5 20 IIBD O=c1c2ccccc2n(Cc2nc(-c3cncc(Br)c3)no2)c2ccccc12 547027466 DZOALVADXGAODT-UHFFFAOYSA-N 433.265 4.411 5 20 IIBD O=C(Nc1nnc(Cc2ccccc2F)s1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 550846038 GFXRMTYIQHYEPT-UHFFFAOYSA-N 426.351 4.447 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2c2nc(-c3nccc4ccccc34)no2)ccc1[N+](=O)[O-] 554790824 ONSBWGQODOMFDZ-LJQANCHMSA-N 429.436 4.479 5 20 IIBD C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)Nc1ncnc2sc([N+](=O)[O-])cc12 557640884 NBWCCGWAZVHYSD-CYBMUJFWSA-N 426.502 4.029 5 20 IIBD CSc1ccc(-c2noc(-c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)n2)c(Cl)c1 558334323 RNBFTQSATOMCRQ-UHFFFAOYSA-N 425.875 4.091 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1-c1nnnn1C(C)C 560118720 DOSLDJAVWQXGEG-UHFFFAOYSA-N 445.277 4.152 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])[C@@H](OC1CCOCC1)c1ccccc1 573029909 PJQKTZKVMMLAOU-WAIKUNEKSA-N 439.512 4.224 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 573410943 OFIXROQHJYGBSG-HNNXBMFYSA-N 443.479 4.362 5 20 IIBD CC1CCN([C@@H](CN[C@H](c2ccc([N+](=O)[O-])cc2)c2nccn2C)c2ccccc2)CC1 581899896 PJSLXXIGANAUIY-BJKOFHAPSA-N 433.556 4.481 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN3C[C@@H]4CCN(Cc5ccccc5)C[C@H]4C3)o2)c1 589300623 RGMGKMLUNZHZLJ-VXKWHMMOSA-N 432.524 4.246 5 20 IIBD O=C1CCCc2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3C(=O)c3ccccc3)ccc2N1 603616830 DLQQJWDULJBYEF-UHFFFAOYSA-N 429.432 4.353 5 20 IIBD COC(=O)c1sc2nc(/C=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)[nH]c(=O)c2c1C 603784881 VNQGGJYWQVIXMY-NTMALXAHSA-N 437.433 4.418 5 20 IIBD COc1ccc(CNC(=O)c2cnn(-c3cccc(C)c3)c2C(F)(F)F)cc1[N+](=O)[O-] 604016653 LVSYWELMZRFCIL-UHFFFAOYSA-N 434.374 4.046 5 20 IIBD CCOc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CCO3)cc1[N+](=O)[O-] 604020652 ZCIISNILZZTNDZ-UHFFFAOYSA-N 427.457 4.017 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1N1CCCCC1=O 604442999 ZRFSNSZZPATYAP-ZDUSSCGKSA-N 447.875 4.180 5 20 IIBD COc1ccc([C@@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c2ccccc2)cc1 604469343 JSZMZCLIKIJQRN-QHCPKHFHSA-N 428.448 4.309 5 20 IIBD Cc1ccc(C)c2sc(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)nc12 609497643 SLBICEWTPFUAOU-GFCCVEGCSA-N 430.511 4.126 5 20 IIBD Cc1cccc(Oc2ccc(NC(=O)[C@@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)cn2)c1C 609666853 GGSZXBUTHBACEA-MRXNPFEDSA-N 434.452 4.156 5 20 IIBD Cc1ccc(NC(=O)N2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)cc1Cl 609874234 PPYGDGZHADDLPS-UHFFFAOYSA-N 437.283 4.200 5 20 IIBD Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2Br)n(-c2ccc(F)cc2)n1 609962086 ZROHYBXDHJHGHL-UHFFFAOYSA-N 449.236 4.008 5 20 IIBD O=C(NCc1ccnc(Oc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1Br 610040193 JYPDPYVOZXVFOL-UHFFFAOYSA-N 428.242 4.475 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)Nc2cnn(CC3CC3)c2)cc1[N+](=O)[O-] 610312968 CYLZXQXFAIEQDY-UHFFFAOYSA-N 436.493 4.407 5 20 IIBD CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)Cc1nc2cc([N+](=O)[O-])ccc2o1 610580755 CNBIZAHXWIOIDM-UHFFFAOYSA-N 427.848 4.450 5 20 IIBD COc1cc(CNC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)ccc1OC(F)F 611072449 BSZRKRCENMKJCB-UHFFFAOYSA-N 445.216 4.206 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCc2[nH]c3ccc(Br)cc3c2C1 611147917 BUSXJJCYRLOXDK-UHFFFAOYSA-N 443.301 4.149 5 20 IIBD COc1cc(Cc2noc(C3(c4ccc(Br)cc4)CC3)n2)ccc1[N+](=O)[O-] 612963400 FARGGJSHKJZUSN-UHFFFAOYSA-N 430.258 4.420 5 20 IIBD C[C@@H](C(=O)Nc1cccc(NS(=O)(=O)c2ccccc2)c1)c1cccc([N+](=O)[O-])c1 617700124 MUVBDWWAHGLRFB-OAHLLOKOSA-N 425.466 4.138 5 20 IIBD COc1ccc(N(Cc2cccs2)S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)cc1 619466769 QFCFUKXBBPQJRI-UHFFFAOYSA-N 434.495 4.069 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCO[C@H](c2ccccc2Br)C1 725723152 CGTRPQMRUNQYOZ-SFHVURJKSA-N 431.242 4.317 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Oc2ccc(C(=O)Nc3cccnc3)cc2)cc1SC 728469655 ANGCCHNWGDESJK-UHFFFAOYSA-N 439.449 4.192 5 20 IIBD CC(C)[C@H](CC(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccccc1 728640563 WKTPLBIMQINNQY-KRWDZBQOSA-N 442.468 4.068 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCC(=O)c2ccc(Br)cc2)cc1SC 728656710 LVHVZKMAVHYZGZ-UHFFFAOYSA-N 440.271 4.128 5 20 IIBD O=C(CCc1ncc(-c2ccccc2)o1)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 729192587 KQGYWYAGOAEKGX-UHFFFAOYSA-N 436.468 4.037 5 20 IIBD CC[C@@H](C)[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])C(=O)Nc1cccc(N2CCCC2)c1 729369823 NIICADMBKUGMNP-VFNWGFHPSA-N 442.491 4.117 5 20 IIBD C[C@H](OC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1)C(=O)Nc1cccc([N+](=O)[O-])c1 730376538 GZLPUNXSSSDJFS-NSHDSACASA-N 449.250 4.271 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)CCc2cc(Br)cs2)cccc1[N+](=O)[O-] 730648248 VSYURYJOBNBPHY-LLVKDONJSA-N 441.303 4.230 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@@H](c2nnc(S)n2C2CC2)C1 732169853 QFBLDGMCKZLMRM-LLVKDONJSA-N 429.527 4.044 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N(Cc1ccccc1)CC1CCOCC1 733191023 MQFYPRJZNNGFPA-UHFFFAOYSA-N 440.468 4.024 5 20 IIBD CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)c1cc([N+](=O)[O-])ccc1I 733934262 JAVSDZBSVQZALH-SECBINFHSA-N 444.191 4.248 5 20 IIBD Cc1cc(N(Cc2ccc(Cl)cc2[N+](=O)[O-])S(C)(=O)=O)ccc1Br 734834140 FWKKFNVUCJZFIJ-UHFFFAOYSA-N 433.711 4.285 5 20 IIBD CC[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)c1ccc(OC)cc1 738605546 SYUPYGWYSNXYRN-QHCPKHFHSA-N 429.472 4.368 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=S)Nc2ccccc2-c2ccccc2)CC1 740628762 KNDKTAYOBRAXRN-UHFFFAOYSA-N 446.532 4.417 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H](O)c1c(Cl)cccc1Cl 740941954 PKPKHWRRLRNINA-YMTOWFKASA-N 433.675 4.172 5 20 IIBD CN(Cc1cccc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])c1)C(=O)OC(C)(C)C 742536851 STOWNKWCQGGPRL-UHFFFAOYSA-N 428.489 4.037 5 20 IIBD C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H](C)N(Cc2ccccc2)CC1 744427279 PPKBKYOIUGZAAM-SJORKVTESA-N 430.936 4.172 5 20 IIBD O=C(OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1cc(Oc2ccccc2)ccn1 745953741 WIASTEYCIKDLIB-QGZVFWFLSA-N 447.447 4.244 5 20 IIBD CCc1ccc(C(=O)Nc2cccnc2N2C(=O)O[C@H](C(F)(F)F)[C@@H]2C)cc1[N+](=O)[O-] 746487642 OBDGTXXHCPMSQX-BONVTDFDSA-N 438.362 4.081 5 20 IIBD Cc1c(C(=O)N(C)CCCc2cc(-c3ccccc3)n[nH]2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748714243 DDKZQLQEMFIACR-UHFFFAOYSA-N 437.456 4.215 5 20 IIBD O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 750096142 NUZOHEPLYWAFCA-MOPGFXCFSA-N 438.311 4.428 5 20 IIBD O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cc([N+](=O)[O-])ccc1Br 750602319 BSVVHZSUKXWYSD-UHFFFAOYSA-N 432.274 4.236 5 20 IIBD COc1ccc2nc(C3CC3)cc(C(=O)OCc3nc(-c4ccc([N+](=O)[O-])cc4)no3)c2c1 751822722 ZWFHNSPAFOHYAC-UHFFFAOYSA-N 446.419 4.436 5 20 IIBD CS(=O)(=O)c1ccccc1C(=O)OCc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1 752216263 HUJYNQGQVQIVFC-UHFFFAOYSA-N 427.434 4.148 5 20 IIBD CC1([C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)C2)OCCO1 753324431 KBGBRRUPYVEPLT-MRXNPFEDSA-N 428.510 4.361 5 20 IIBD O=C(COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1ccc(NC(=O)c2ccccc2)cc1 756768489 OBVGFQXNJOEGBQ-UHFFFAOYSA-N 443.415 4.368 5 20 IIBD COCCN(Cc1cc(Br)cs1)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 756771872 HJEHSNHNUQKMFA-UHFFFAOYSA-N 449.273 4.186 5 20 IIBD CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 757444638 RCPVXTCDWZVQSB-SFHVURJKSA-N 447.495 4.064 5 20 IIBD COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1 760142099 LJENJETWSQSRHG-JTQLQIEISA-N 439.237 4.100 5 20 IIBD O=[N+]([O-])c1ccc(CNCc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1Cl 761528406 UMYTZMHLPPNCBH-UHFFFAOYSA-N 449.891 4.478 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CCCCC[C@H]1C[C@@H](O)c1ccccc1 764394958 RTIUYBULFPIJGZ-HTAPYJJXSA-N 435.480 4.357 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(NC[C@H](O)c2ccc(OC(F)(F)F)cc2)cc1Cl 765479182 BPPMYWRRLUKGNG-HNNXBMFYSA-N 434.754 4.079 5 20 IIBD CC(C)(C)OC(=O)Nc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 766500079 BBLPZNQYFQNABP-UHFFFAOYSA-N 444.469 4.291 5 20 IIBD CCOc1cc(C(=O)NC[C@H](O)c2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])cc1OC 768558126 PJJINBDVGVBPHA-NRFANRHFSA-N 436.464 4.133 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCO[C@H](c2cccc(Cl)c2)C1 768626381 YSSPEYTXHBIHKC-NRFANRHFSA-N 429.904 4.452 5 20 IIBD CC(C)(C)OC(=O)N1Cc2ccc(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)cc2C1 769003227 WQQOMORISGONEY-UHFFFAOYSA-N 431.876 4.429 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(Cn2nc(C)c3cc([N+](=O)[O-])ccc32)CC1 769852442 HILUUSOZLVBAOZ-UHFFFAOYSA-N 441.557 4.289 5 20 IIBD Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 771468392 KARYFIKILGEZDG-FQTAANOTSA-N 431.496 4.199 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Br)N1CCc2sc(Br)cc2C1 772220876 HHGAWZHSXNLMFU-UHFFFAOYSA-N 446.120 4.380 5 20 IIBD C[C@H](OC(=O)[C@@H](C)c1cn(C)c2ccccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 772834382 JSNPAZBDEKHYGE-STQMWFEESA-N 429.860 4.414 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1 773424795 JZLPZVLFAJNWHH-OCCSQVGLSA-N 443.294 4.094 5 20 IIBD Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)c1sc(Br)cc1[N+](=O)[O-] 773611183 FRCMIDGIQKXJEP-JTQLQIEISA-N 427.276 4.220 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)c1ccc(OC(F)F)cc1 778887645 MJAOJSUAMTXYTP-VIFPVBQESA-N 431.294 4.226 5 20 IIBD CCSc1cc(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)ccn1 779307661 RUGFWEBPWFZKKQ-UHFFFAOYSA-N 430.711 4.448 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 783019260 DWOLFDMKWAFZBJ-DLBZAZTESA-N 432.521 4.105 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 783123509 DBOAGYNCTVWKLI-LBPRGKRZSA-N 427.215 4.137 5 20 IIBD O=C(OCc1nnc(-c2cc3c(s2)CCCC3)o1)c1ccc([N+](=O)[O-])c2cccnc12 784469978 ZUYNZBUSZNLEFF-UHFFFAOYSA-N 436.449 4.490 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N(CCc1cccc(F)c1)C1CCCC1 785226284 FYMSPGKHLOGCQX-UHFFFAOYSA-N 433.867 4.340 5 20 IIBD C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 786929471 XQTIVKZMRCMJOE-NSHDSACASA-N 426.351 4.029 5 20 IIBD CC(C)N(Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N)cc1)C[C@H]1CCCCO1 787217836 FFGLIJSDAWQXMC-HXUWFJFHSA-N 426.517 4.209 5 20 IIBD Cc1cnc(COC(=O)C[C@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(C)c1[N+](=O)[O-] 789445439 SEUAUUCGFYUMRA-WMLDXEAASA-N 435.521 4.323 5 20 IIBD CC(C)[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)[C@H](O)c1ccccc1 790432582 WTTQSUYTAQJJLT-IAGOWNOFSA-N 441.709 4.499 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Oc2cccc(-c3nccs3)c2)c1 790458737 BLBMTBQAOSCTDU-UHFFFAOYSA-N 441.284 4.249 5 20 IIBD CC(C)(C)OC(=O)N1CCc2cc(C(=O)OCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc21 792148904 BFOHWZDTSCSUKK-UHFFFAOYSA-N 443.412 4.158 5 20 IIBD C[C@H](O)[C@@](C)(CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)Cc1ccccc1 792345373 PSPBRLOJRCKDKA-ORAYPTAESA-N 436.306 4.109 5 20 IIBD COc1cccc([C@@H](O)CN(Cc2ccccc2)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 792869063 ABHBKZYGENNSFC-QHCPKHFHSA-N 437.452 4.247 5 20 IIBD Cc1ccc(NC(=O)c2nnc(COC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])s2)cc1 796443827 RIEGADYEOSXBDQ-UHFFFAOYSA-N 440.481 4.028 5 20 IIBD Cc1ccccc1-c1noc(C)c1C(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 796672818 QPLMLZHDVDHFSV-UHFFFAOYSA-N 436.468 4.335 5 20 IIBD O=C(c1cc([N+](=O)[O-])c2nsnc2c1)N1CCC(c2ccc(Br)cc2)CC1 800582441 ZDKPGJNKCGRFKB-UHFFFAOYSA-N 447.314 4.382 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)O[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c1F 803461893 BKXDJFPLLGFTNC-OAHLLOKOSA-N 426.322 4.023 5 20 IIBD CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])cc(C)c1F 803462842 STYMYCMAMJEAAK-LBPRGKRZSA-N 428.372 4.175 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(NS(=O)(=O)c2cccc(Cl)c2Br)c1 808549821 SGQRYMZSVKKJOD-UHFFFAOYSA-N 426.075 4.465 5 20 IIBD Cc1noc(C)c1[C@@H](C)CC(=O)OCc1cc(I)cc([N+](=O)[O-])c1 811039065 YGOOOXSZHVLILU-VIFPVBQESA-N 444.225 4.041 5 20 IIBD C[C@@H](OC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(=O)N1CCc2sccc2C1 811375433 YZORLMHLWRIXNA-SECBINFHSA-N 429.281 4.093 5 20 IIBD CCOc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811375536 DQGZZJPGSWZYLU-JTQLQIEISA-N 427.240 4.484 5 20 IIBD COc1cc(-c2noc(COc3cccc(Cl)c3[N+](=O)[O-])n2)ccc1OC(F)F 814774458 OLPHGURXVKSQDF-UHFFFAOYSA-N 427.747 4.487 5 20 IIBD O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NCc1ccc(Oc2ccccc2)nc1 815008785 OERNWDGAJNWXJU-UHFFFAOYSA-N 437.836 4.053 5 20 IIBD COc1cc(COC(=O)C2(c3ccc(N(C)C)cc3)CC2)c([N+](=O)[O-])cc1OC(F)F 815306407 WPMFKVIHCAOTBD-UHFFFAOYSA-N 436.411 4.046 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])OCc1nc(-c2cccc(C(F)(F)F)c2)no1 842059093 OFEOIZWASUTOHK-UHFFFAOYSA-N 436.346 4.209 5 20 IIBD Cc1ccc(C(=O)OCC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)cc1[N+](=O)[O-] 854571410 YVNXDWOZGRPLHJ-HSZRJFAPSA-N 436.439 4.447 5 20 IIBD CCCCOc1ccc(CNC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1OC 915600546 HKKYRRPKDXFZMO-UHFFFAOYSA-N 437.290 4.475 5 20 IIBD COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1OC1CCCC1 917736692 ZYIZVGSKTHASQU-UHFFFAOYSA-N 426.878 4.379 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1ccc2oc(C3CC3)nc2c1 917738732 HZEDAOOEZWJAHE-UHFFFAOYSA-N 438.259 4.177 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)NC[C@H]2CCCC[C@H]2C(C)(C)C)cc1[N+](=O)[O-] 920034448 RPJQLTASATZCOL-HZPDHXFCSA-N 431.562 4.457 5 20 IIBD C[C@@H](OC(=O)c1ccc(N)cc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 920540084 HVFXGAUGKNEEFH-MRVPVSSYSA-N 431.754 4.033 5 20 IIBD COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1 921011263 RDFVTIAOVPAKAE-QFIPXVFZSA-N 448.454 4.192 5 20 IIBD COc1cc(/C=C\C(=O)NCc2cccc([N+](=O)[O-])c2)ccc1OCc1c(C)noc1C 921288611 PQZBHOAZFGEJNQ-NTMALXAHSA-N 437.452 4.117 5 20 IIBD COC(=O)[C@@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1Cl 1251922946 HQNDCYZCNZAEBX-INIZCTEOSA-N 432.841 4.443 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)ccc1N1CCCC1=O 1325692477 MHOSAIMMTKMVBS-UHFFFAOYSA-N 432.274 4.353 5 20 IIBD O=C(Nc1cc(F)c(F)cc1I)N1Cc2ccc([N+](=O)[O-])cc2C1 1329914704 XFSRBQARPJQSNP-UHFFFAOYSA-N 445.163 4.025 5 20 IIBD Cc1c(NC(=O)c2cc(Br)cc(Br)c2O)cccc1[N+](=O)[O-] 1338419081 QLUJCHSBFRCNAX-UHFFFAOYSA-N 430.052 4.386 5 20 IIBD COc1ccc(Br)c(-c2nnc(-c3cc(OC)c(OC)cc3[N+](=O)[O-])o2)c1 1341640737 SCFKOXQSPSPPNZ-UHFFFAOYSA-N 436.218 4.100 5 20 IIBD CCOc1cc(N2CCC(OC(=O)CCc3ccc4c(c3)CCO4)CC2)ccc1[N+](=O)[O-] 1343310721 AJKXHQSRCUFSEL-UHFFFAOYSA-N 440.496 4.073 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccsc1 1794463410 ARNBHBZREJRFIR-FKIDBEHASA-N 443.500 4.069 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CC=CCC2)[nH]n1 1823500571 GAJLNAZWDFWILT-OHAWZUIQSA-N 449.511 4.380 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC2(CCCN2C(=O)c2cccs2)C1 1842372227 AJZPJIIGOQICHP-UHFFFAOYSA-N 427.507 4.002 5 20 IIBD CC[C@H]1CC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 1847543745 PXHRFGYJTNQVLT-FVCZOJIISA-N 447.963 4.209 5 20 IIBD COc1ccc2cc(C(=O)O[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c(C)nc2c1 10725958 BNWROJOOKJAIFY-GFCCVEGCSA-N 443.843 4.297 5 20 IIBD O=C(COC(=O)c1ccccc1Br)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 11026544 ZQMZEOCMCADXHF-UHFFFAOYSA-N 447.163 4.172 5 20 IIBD COc1ccc2cc(/C=C/C(=O)O[C@@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)ccc2c1 18019567 PTSIWEXJQCMQQC-DEYRLNKFSA-N 438.411 4.479 5 20 IIBD C[C@H](OC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1nc2ccccc2c(=O)[nH]1 23969502 BCTLQADNDMHLRW-HNNXBMFYSA-N 444.447 4.361 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(NC(=O)NCc2ccco2)cc1 26834923 PYOAOCRVDKZTSO-UHFFFAOYSA-N 437.456 4.340 5 20 IIBD CCOc1cc(C(=O)O[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)c([N+](=O)[O-])cc1OC 28001054 MEIJPPXDICUEAL-ZDUSSCGKSA-N 427.413 4.279 5 20 IIBD O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1cc2cc([N+](=O)[O-])ccc2s1 29805268 LANHNRCKNZKGAI-SFHVURJKSA-N 445.928 4.266 5 20 IIBD C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 31384750 YGCTWNHHHIPXPA-FOIQADDNSA-N 431.514 4.046 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)c1C 31722361 SERBSPVEKXTBGT-UHFFFAOYSA-N 440.403 4.217 5 20 IIBD CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCC(=O)c1c(C)[nH]c2ccccc12 46760977 RMSPHKJFIMRASM-UHFFFAOYSA-N 448.435 4.009 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2C)cc1C 60443456 GOQGLFCYYRKRQS-UHFFFAOYSA-N 445.541 4.383 5 20 IIBD O=C(Nc1ncn(Cc2ccccc2)n1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 64808754 YUAGTBAGMKSHRC-UHFFFAOYSA-N 428.452 4.099 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)cc1[N+](=O)[O-])c1ccccn1 64822137 JIPXNCAMNNCDEG-GFCCVEGCSA-N 439.859 4.168 5 20 IIBD O=C1CCCN1C[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1cccc(C(F)(F)F)c1 301401617 CKBRIWQGYHYGJY-OAHLLOKOSA-N 428.798 4.438 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1cccc(C[S@](=O)Cc2ccccc2)c1 302643611 LVALBXMXCUWBRC-GDLZYMKVSA-N 444.534 4.191 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1nnc(Cc2cccc(F)c2)s1 410012624 XVQRXJCXPRADSX-UHFFFAOYSA-N 444.491 4.375 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(-c4cncnc4)cn3)cc2[N+](=O)[O-])C1 410163724 ZNNFATSCAYSWHS-IYBDPMFKSA-N 432.484 4.181 5 20 IIBD COc1ccc(CN[C@H](C(=O)O)c2ccsc2)cc1OCc1ccc([N+](=O)[O-])cc1 426832007 HPGGKOBYPHTKFF-FQEVSTJZSA-N 428.466 4.159 5 20 IIBD O=C(Nc1cc(F)c(F)cc1N1CCCCC1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 427398443 KRTDLVDHIYRXKW-UHFFFAOYSA-N 428.395 4.369 5 20 IIBD CCOC(=O)[C@H](c1ccc(Cl)cc1Cl)N(C(=O)c1ccc([N+](=O)[O-])o1)C1CC1 427751773 ICIKNZBCESLZRK-INIZCTEOSA-N 427.240 4.404 5 20 IIBD C[C@H](O)CN(C)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2 428675915 XINGCNOVUVKXIK-IYWFSZBXSA-N 431.492 4.473 5 20 IIBD COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1cccc(OC)c1[N+](=O)[O-])CC2 435666515 ZALPLVHIUPASPN-HSZRJFAPSA-N 448.475 4.409 5 20 IIBD O=C(Nc1c(F)cccc1Oc1ccccc1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 435871898 MGAXMDJVFAINNZ-UHFFFAOYSA-N 449.394 4.432 5 20 IIBD COc1ccc(C(=O)N2CCCC2)cc1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437163492 HBMWEWZDWHYNGJ-UHFFFAOYSA-N 437.374 4.111 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2-c2nncn2C(C)C)cc1OC 439648579 NXZUIOAGMNQVTK-UHFFFAOYSA-N 425.445 4.094 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1cccc(F)c1)C1CCCC1 440072712 OCCRTQDZENFTDO-FQEVSTJZSA-N 429.448 4.119 5 20 IIBD Cc1c(NC(=O)C(=O)N(Cc2cccc(Br)c2)C(C)C)cccc1[N+](=O)[O-] 446912988 BMKNMPMWXJOOOH-UHFFFAOYSA-N 434.290 4.041 5 20 IIBD COC(=O)[C@](C)(CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])c1ccccc1 447684873 FMKVPCOVFCBMBS-MRXNPFEDSA-N 433.333 4.187 5 20 IIBD COc1cc(C(=O)N2C[C@@H](c3ccccc3C)OC[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F 460405005 XWKXYJVVZLQEKW-DJJJIMSYSA-N 436.411 4.115 5 20 IIBD CCN(c1ccccc1)c1ccc(CNC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1 460587985 WOVVZVUTFQQCFH-UHFFFAOYSA-N 435.480 4.457 5 20 IIBD CN(C(=O)c1cc(C(=O)N(C)c2ccc(F)cc2)cc([N+](=O)[O-])c1)c1ccc(F)cc1 460711412 XSYAIBPSUWAGML-UHFFFAOYSA-N 425.391 4.426 5 20 IIBD COCc1nc(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)cs1 460975474 AWGOWBDPAHYJQX-UHFFFAOYSA-N 446.916 4.393 5 20 IIBD CCN(Cc1cccc(F)c1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCO1 461153389 IYVFDMHYCSFEDT-FQEVSTJZSA-N 425.464 4.198 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)c1c(Cl)cccc1I 463591720 QCMRESVWEPLIIG-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD CCc1nc(CN2CCC(CNC(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)CC2)cs1 463946176 CRVYDMXDMZJYEH-UHFFFAOYSA-N 431.562 4.264 5 20 IIBD C[S@](=O)c1ccc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cc1 463988660 GPAKFVPVDKRESL-NDEPHWFRSA-N 439.280 4.077 5 20 IIBD C[C@@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1cccc(-n2cccn2)c1 466672381 XLZMQKLKXPCKKK-QGZVFWFLSA-N 435.484 4.095 5 20 IIBD COc1cc(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 467720849 QJJMLIPOERHQOX-CXAGYDPISA-N 445.903 4.262 5 20 IIBD CC(C)N1C(=O)N(CCc2ccccc2[N+](=O)[O-])C(=O)[C@H]1c1ccc(Br)cc1 468012094 QJJYMTQNZPMXNT-GOSISDBHSA-N 446.301 4.314 5 20 IIBD O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1CCc2c(O)ncnc2C1 468296792 GJFXUPLZHUXZHX-UHFFFAOYSA-N 442.884 4.094 5 20 IIBD Cc1ccc(-c2cnc(NC(=O)CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])s2)c(C)c1 470618786 MCZULCLPMYNEKL-UHFFFAOYSA-N 444.900 4.357 5 20 IIBD COc1cccc([C@H](NC(=O)c2cc(OC)ccc2[N+](=O)[O-])c2cc(F)ccc2OC)c1 471458165 CVEATSHKOKQMNO-QFIPXVFZSA-N 440.427 4.279 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCN(C(=O)c2cc3occc3s2)CC1 475644459 ZFMMTASQJDCPSS-UHFFFAOYSA-N 428.470 4.009 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(N2CCCCC2)CCCCC1 478959445 WTRSCRDCEPRSFW-UHFFFAOYSA-N 435.590 4.252 5 20 IIBD CCC(=O)c1ccc(Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)c([N+](=O)[O-])c1 479846969 HQLSYZXINRDUQG-UHFFFAOYSA-N 447.513 4.114 5 20 IIBD CC(C)c1c(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cnn1-c1ccc(Cl)cc1 480244423 GTDPHITVIUUBFW-UHFFFAOYSA-N 438.868 4.497 5 20 IIBD Cc1ccc(NC(=O)C(C)(C)C)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 481147936 VMJLQHAMOUBPOW-UHFFFAOYSA-N 425.894 4.342 5 20 IIBD CCc1c(NC(=O)CNc2ccccc2[N+](=O)[O-])cnn1-c1cccc(C(F)(F)F)c1 482704225 ILBNWXZMDVZTHE-UHFFFAOYSA-N 433.390 4.412 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 483049896 TYAXVNJBDHTYLY-UHFFFAOYSA-N 432.498 4.103 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3ccc(F)cc3)CC2)cc1OC 484433813 BQXUZXUYPRDMKT-MRXNPFEDSA-N 446.475 4.178 5 20 IIBD O=[N+]([O-])c1ccccc1OC[C@H](O)CNC1(c2cc(C(F)(F)F)ccc2Cl)CC1 484988325 QAZWBDQKZZRBNR-CYBMUJFWSA-N 430.810 4.286 5 20 IIBD CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 486006862 OQZKQGBQCXEBCL-REWPJTCUSA-N 433.512 4.093 5 20 IIBD CCN(CC)Cc1cccc(CNC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c1 486190336 FHSVYUHBQPETEN-UHFFFAOYSA-N 449.555 4.228 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCO[C@@H](COCC2CC2)C1 487321689 PNKHWMAREVQEQR-LJQANCHMSA-N 446.887 4.308 5 20 IIBD COc1cc(C(=O)Nc2cc(C)c(=O)n(C)c2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 489218499 MYRPSWYPFMFECP-UHFFFAOYSA-N 443.843 4.309 5 20 IIBD COc1cc(C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)ccc1OCCC(C)C 490347201 WECVUUIUDZNDJI-UHFFFAOYSA-N 425.445 4.066 5 20 IIBD COc1cc(CNc2cc(C(=O)NC3CC3)ccc2C)c([N+](=O)[O-])cc1OCC(F)F 490566321 KAPZILPLYJLNFE-UHFFFAOYSA-N 435.427 4.060 5 20 IIBD Cc1cc(I)cc(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1 490660543 MDIYZVUNKBIZBE-UHFFFAOYSA-N 425.226 4.172 5 20 IIBD O=C(c1nn(-c2ccc(F)cc2)c2c1CCC2)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 498151685 CXBSRMHZKLNZCY-QFIPXVFZSA-N 438.484 4.296 5 20 IIBD Cn1c([C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)c2ccccc2)nc2ccccc21 503156675 UJDMVHNMPDSDJW-JOCHJYFZSA-N 432.505 4.479 5 20 IIBD CC(C)OCCCNC(=O)C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 506913442 QGUJDAHJIGQJEY-UHFFFAOYSA-N 445.585 4.467 5 20 IIBD CCCN(C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[C@@H](C)c1cc2ccccc2o1 507463516 JBBOPBCVCJVCMW-HNNXBMFYSA-N 437.452 4.066 5 20 IIBD CCOc1ccc(C(=O)NCc2nc(COC)sc2-c2ccccc2)cc1[N+](=O)[O-] 508350515 UKQKOLCVGYEOEE-UHFFFAOYSA-N 427.482 4.193 5 20 IIBD COc1ccc(CSCC(=O)N(CC(F)(F)F)c2nc(C)cs2)cc1[N+](=O)[O-] 512634710 UGAYVDYUORIFPY-UHFFFAOYSA-N 435.449 4.197 5 20 IIBD COCCO[C@H]1CCCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 513773719 PKSQSXDTTUNSKE-SFHVURJKSA-N 447.919 4.128 5 20 IIBD C[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1nc2ccccc2n1C(F)F 514500300 ZXCKLXXFCBVVRE-GFCCVEGCSA-N 426.383 4.016 5 20 IIBD Cc1sc(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)nc1-c1ccc(Cl)cc1 517657934 AUZJQGXNYQBGGM-UHFFFAOYSA-N 431.857 4.339 5 20 IIBD CCN(CC)C(=O)c1ccc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1Cl 520099447 JYPODFHRTQOMPN-UHFFFAOYSA-N 428.876 4.324 5 20 IIBD CC(C)C[C@@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N[C@@H](C)c1ccccc1 521379857 ACYGFKWPDMYBRZ-ICSRJNTNSA-N 435.528 4.276 5 20 IIBD Cn1cc(C(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 522079448 FIJDYPIHWVCMHS-SJLPKXTDSA-N 441.285 4.044 5 20 IIBD COc1ccc(Br)c(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c1 524198934 CJLBYKKWNKQEPO-UHFFFAOYSA-N 429.654 4.427 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1[N+](=O)[O-] 524639375 JKCFZCXFOSTXDV-MAODMQOUSA-N 440.521 4.091 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1cccc(OCCN(C)C2CCOCC2)c1 532479233 CKBDYDANZJQUDU-IBGZPJMESA-N 427.545 4.244 5 20 IIBD COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CCO2 533300870 UELHINYAFSTTCG-QFIPXVFZSA-N 447.491 4.228 5 20 IIBD COc1ccccc1CN(CCO)C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 535426486 NGAJFBDUNWCUDB-UHFFFAOYSA-N 438.505 4.389 5 20 IIBD O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)C2)nc1 535964667 UPBRYTIKATWKCV-OAHLLOKOSA-N 433.390 4.350 5 20 IIBD Cc1cnc(CCNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)nc1 536239019 NVYKVSYOWJHVDW-UHFFFAOYSA-N 428.901 4.470 5 20 IIBD C[C@@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1cccc(C(=O)c2ccccc2)c1 536394480 IWYFIOISYLIJNC-DYESRHJHSA-N 444.491 4.037 5 20 IIBD Cc1nc([C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2)no1 538892868 XVHVPRYANBTPJE-IBGZPJMESA-N 429.864 4.038 5 20 IIBD COc1ccc(C2=NN(C(=O)CN[C@H](C)c3cccc([N+](=O)[O-])c3)[C@@H](c3ccco3)C2)cc1 539277215 VVBCAPFDAQZTMN-OPAMFIHVSA-N 448.479 4.225 5 20 IIBD CC[C@@H](C)Oc1cc(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])ccn1 539699118 ZZFPJLYQKVPTAC-GFCCVEGCSA-N 427.379 4.038 5 20 IIBD C[C@H](NC(=O)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)c1ccc(Br)cc1 540345371 KDMNCGWFSBHMHT-JTQLQIEISA-N 437.681 4.238 5 20 IIBD COc1ccc(NC(=O)NC2(c3noc([C@H]4CCCO4)n3)CCCCCC2)cc1[N+](=O)[O-] 541102686 FEYRMHRIXIJJEY-QGZVFWFLSA-N 445.476 4.209 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N(Cc1ccncc1)Cc1cccnc1 541430797 NOYUUKPCZRHPOW-UHFFFAOYSA-N 428.901 4.359 5 20 IIBD Cc1cc(C(=O)NCC(=O)Nc2cccc(COc3ccccc3)c2C)ccc1[N+](=O)[O-] 542022028 KQVTUFXESQQFLW-UHFFFAOYSA-N 433.464 4.159 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCn2c(NCc3ccccc3)nc3ccccc32)cc1 543122066 YFXZHAAIROFHNL-UHFFFAOYSA-N 436.493 4.031 5 20 IIBD Cc1ccc(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c(O[C@H]2CCOC2)c1 543160463 GUFUOPBISVYYOI-INIZCTEOSA-N 436.917 4.133 5 20 IIBD C[C@H](C(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1F 543468764 MRHQBVGONTVIIJ-INIZCTEOSA-N 435.455 4.449 5 20 IIBD Cc1cc(-c2noc([C@@H](C)N[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)n2)ccc1F 543551807 PNVRIJSESHLYBF-VXGBXAGGSA-N 447.854 4.424 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc(CCNC(=O)Nc2ccc(Br)cc2)n1 545694595 JPVMQQZADLLOPS-UHFFFAOYSA-N 446.261 4.080 5 20 IIBD COc1cc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)cc(OC)c1OCc1ccccc1 547194984 OIAGHOKBPXQSHL-UHFFFAOYSA-N 448.435 4.227 5 20 IIBD CC[C@H](Nc1ncnc2sc([N+](=O)[O-])cc12)c1ccccc1OCC(=O)N1CCCC1 553448342 WVXVYLHORPVUEN-INIZCTEOSA-N 441.513 4.164 5 20 IIBD CCCOc1cc(NC(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4OC)c([N+](=O)[O-])cc1OCCC 554359424 NNLZCLVPUXHCBL-AGURSJMDSA-N 433.505 4.060 5 20 IIBD Cn1ccnc1[C@@H](NCc1cc(F)c(F)cc1Br)c1ccc([N+](=O)[O-])cc1 556924535 JRXCKNOJXLPUJC-KRWDZBQOSA-N 437.244 4.248 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1CCOC[C@H]1[C@H]1CCCO1 557557501 YBBUTJBXXPJCOS-RBUKOAKNSA-N 448.928 4.419 5 20 IIBD O=C(N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 557744343 PZCHPEPGZMQXED-HXUWFJFHSA-N 433.386 4.227 5 20 IIBD CNC(=O)c1cc(Oc2cccc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])c2)ccn1 557794342 HFGDQQOXNVUCKQ-UHFFFAOYSA-N 434.452 4.058 5 20 IIBD CCC1(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCOCC1 560707467 UGGCNFOWQHTRCP-UHFFFAOYSA-N 443.466 4.153 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NC[C@@H]3COc4ccccc43)cc2[N+](=O)[O-])n1 561899863 OCQTVKQAZAFPRM-CQSZACIVSA-N 427.507 4.417 5 20 IIBD CCOc1cc(CN2CCC(F)(F)[C@H](C)C2)ccc1OCCn1c([N+](=O)[O-])cnc1C 563791355 SWSGQZKPGJDHNZ-OAHLLOKOSA-N 438.475 4.055 5 20 IIBD Cc1ccc(NCc2cc(I)cc([N+](=O)[O-])c2)c(CN(C)C)c1 563919829 IQCCMVHHAHWXMO-UHFFFAOYSA-N 425.270 4.182 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@@H](n3cc(Cl)cn3)C2)c([N+](=O)[O-])c1 565509675 LGSQCTDHOQLJJL-NQIIRXRSSA-N 439.903 4.380 5 20 IIBD CN([C@H]1CC[C@@H](C(F)(F)F)CC1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 568132398 ZIOKCMLRMJQQMD-JGZJWPJOSA-N 445.257 4.099 5 20 IIBD C[C@]1(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])OCCc2sccc21 568572555 OEITXNAFXMZBSO-HSZRJFAPSA-N 438.505 4.453 5 20 IIBD CC(C)(c1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1)c1ccc([N+](=O)[O-])cc1F 575903175 RQRJSHUYSRFMKX-UHFFFAOYSA-N 439.852 4.070 5 20 IIBD CC(=O)N(c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1)[C@H]1C[C@@H]1C 576424733 RWUXXKOBFFNDQK-BUXKBTBVSA-N 446.301 4.300 5 20 IIBD CCNC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)c1C 576816361 JSZBXNOBLCOGDU-UHFFFAOYSA-N 432.502 4.035 5 20 IIBD CC1(C)CN(CC2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)C2)c2cc(C3CC3)ccc21 579377847 AWULEMGDAAXHSU-UHFFFAOYSA-N 435.524 4.107 5 20 IIBD Cc1cccn(Cc2c(F)cccc2NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1=O 580742046 WFAJOBZBRIXCSF-OAHLLOKOSA-N 441.484 4.372 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCCc1cccc2cccnc12 591594970 HYDYJTLEBLYLRQ-UHFFFAOYSA-N 432.402 4.323 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1Cc1ccccc1)NC[C@H]1CCN(c2ccccc2)C1 603909342 GUTKCYSSBHVVGJ-OAQYLSRUSA-N 445.519 4.207 5 20 IIBD CCOc1cc(NC(=O)N[C@H](c2ccccc2)[C@@H]2CCCO2)c([N+](=O)[O-])cc1OCC 608840538 KMYACLLAKAXPFL-GHTZIAJQSA-N 429.473 4.434 5 20 IIBD Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 608939101 QPCCBXDUBFIIOB-UHFFFAOYSA-N 433.420 4.179 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCO[C@H](c2ccccc2F)C1 608963131 NBOOOMVIEBLSFL-SFHVURJKSA-N 441.381 4.155 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CC[C@@H](c3ccco3)C2)c([N+](=O)[O-])c1 609512755 IDLDYAUEFIBLJZ-QGZVFWFLSA-N 441.509 4.397 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1ccn2ccnc2c1 619566810 QSSOFLQAJGEOJI-UHFFFAOYSA-N 438.447 4.276 5 20 IIBD Cc1nc(-c2ccco2)ccc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 726228492 JEEJZARNWTYYDH-UHFFFAOYSA-N 449.341 4.373 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)OC(C)(C)C)c1C 726521112 RXXOFVPZSLIUMV-UHFFFAOYSA-N 447.513 4.310 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cccc(CC[C@@H](O)c3ccccc3)c2)c([N+](=O)[O-])c1 727361147 BHZILIUFVYJEKY-OAQYLSRUSA-N 442.493 4.070 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@H](C(=O)N2CCCCC2)c2ccccc2)cc1SC 728650359 FQOGJADYRLOJFZ-FQEVSTJZSA-N 444.509 4.236 5 20 IIBD CCCNC(=O)[C@@H](C)OC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 728949754 YFHZAVIMFUXHKF-GFCCVEGCSA-N 445.522 4.427 5 20 IIBD O=C(CCCOc1ccc(Cl)cc1)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 729194169 VGWQVAKBJFANDK-UHFFFAOYSA-N 433.892 4.262 5 20 IIBD CC(=O)Nc1cccc(NC(=O)[C@@H](OC(=O)c2c(Cl)cccc2[N+](=O)[O-])C(C)C)c1 730644388 CRINPADOQGHRQT-SFHVURJKSA-N 433.848 4.027 5 20 IIBD CCOc1ccc(-c2nc(NC(=O)COc3ccc(C=O)cc3[N+](=O)[O-])sc2C)cc1 731598927 RTWDHPLOAODQDL-UHFFFAOYSA-N 441.465 4.255 5 20 IIBD CCN(CC)Cc1cccc(CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])c1 731975815 HFOZAZLBLIWPGC-UHFFFAOYSA-N 427.473 4.045 5 20 IIBD CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 731988129 GBDTXXQXXQEZAC-UHFFFAOYSA-N 435.864 4.404 5 20 IIBD C[C@@H](OC(=O)c1ccoc1CN1c2ccccc2C[C@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] 732840894 KMHPUYYIKTWYJE-HZPDHXFCSA-N 449.463 4.323 5 20 IIBD CC[C@H](OC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 733400957 YIWKTZAOGKKWFM-NRFANRHFSA-N 445.903 4.225 5 20 IIBD CSCC[C@H](C)NC(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 736406638 FOJXLDHGCODLOU-INIZCTEOSA-N 448.614 4.292 5 20 IIBD O=C(COC(=O)c1cc(Oc2ccccc2)ccc1O)Nc1cc([N+](=O)[O-])ccc1F 738870655 WNFMMKQPZMPTKK-UHFFFAOYSA-N 426.356 4.027 5 20 IIBD COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)N2CCCCC2)cc1 742257115 OEJBYYWIJTVYNZ-JOCHJYFZSA-N 440.500 4.199 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 744367226 HPLFMGXRQKBKPJ-DOMZBBRYSA-N 445.438 4.427 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)Cc2ccn(C(C)C)n2)c2ccccc2)c([N+](=O)[O-])c1 745323366 IZPMUGYOUWSGKT-QFIPXVFZSA-N 436.468 4.146 5 20 IIBD CCN(CC1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1)C(=O)OC(C)(C)C 745987724 KCMVPXNKEJAGHG-UHFFFAOYSA-N 448.564 4.201 5 20 IIBD Cc1ccccc1[C@@H](OC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccs1 748503124 MKNSGMKSDOMWFB-HXUWFJFHSA-N 442.518 4.489 5 20 IIBD Cn1c(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cc(Cl)c1Cl 750582390 DYBRFVWYPXUVKA-UHFFFAOYSA-N 433.089 4.201 5 20 IIBD O=C(OCC(=O)N(Cc1ccccc1)CC(F)(F)F)c1cc([N+](=O)[O-])cc(Cl)c1F 754985259 SRWKHNRUADUZEH-UHFFFAOYSA-N 448.756 4.135 5 20 IIBD O=C(Nc1ccc(N2CCCC2=O)c(F)c1)c1cc(F)cc([N+](=O)[O-])c1Br 755007537 JDRMKNOCOUSAGA-UHFFFAOYSA-N 440.200 4.015 5 20 IIBD O=[N+]([O-])c1ccccc1Cc1noc(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 761345670 WFWUFJUIQUFFOA-UHFFFAOYSA-N 437.334 4.150 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@@H](c2nc(Cc3ccc(OC(F)(F)F)cc3)no2)C1 761563912 SZWYXAQLKODLOM-MRXNPFEDSA-N 434.330 4.333 5 20 IIBD COc1ccc([C@H](NC(=O)COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C(C)C)cc1 762989524 MKIHREXXQQDTMN-OAQYLSRUSA-N 446.475 4.077 5 20 IIBD O=C(Nc1cccc(CC[C@@H](O)c2ccccc2)c1)c1cc([N+](=O)[O-])cc2c1OCCO2 762996766 QQGDKRBCLMLGDY-OAQYLSRUSA-N 434.448 4.285 5 20 IIBD COC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)OC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 763397214 FAEBJASUKPDRIF-YVEFUNNKSA-N 425.359 4.045 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCCCC[C@H]1C[C@@H](O)c1ccccc1 764395559 TVIWVZWKIXTLRA-NZQKXSOJSA-N 434.496 4.289 5 20 IIBD C[C@@H](OC(=O)c1cc(Cl)cc(Br)c1F)C(=O)Nc1ccccc1[N+](=O)[O-] 769514681 FPRYQDSVOMKEFH-MRVPVSSYSA-N 445.628 4.334 5 20 IIBD CSc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(Br)cc([N+](=O)[O-])c1 770157262 RWXKPACTWTZNCM-JTQLQIEISA-N 439.287 4.263 5 20 IIBD O=C(Cc1noc([C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1)Nc1cccc2ccccc12 770987175 OGYXASPBNBGHMI-FQEVSTJZSA-N 443.419 4.178 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1ccc(OCC(F)(F)F)nc1 775024382 PKVLPKDKEQQYLE-UHFFFAOYSA-N 442.393 4.234 5 20 IIBD O=C(O)CCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 776650750 PDZKDRULGXYGHW-UHFFFAOYSA-N 427.457 4.081 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)[C@@H]1CCCN(c2ncnc3sccc23)C1 778813098 VPEGRQHWKMARIR-LSDHHAIUSA-N 426.498 4.429 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CC[C@H](COc3ccccc3)C2)c1=S 779883755 FRJJXZZEHWMHIA-KRWDZBQOSA-N 439.541 4.368 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 780282787 LRDPCRIKCFKTCM-LBPRGKRZSA-N 433.442 4.189 5 20 IIBD CCN(CC)C(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@@H]1c1ccc([N+](=O)[O-])s1 782243950 BXUHKIIQVBLNRN-GOSISDBHSA-N 430.555 4.235 5 20 IIBD Cc1ccccc1[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br)C(C)C 784701234 AWLCPFTZRSPKPU-GOSISDBHSA-N 448.317 4.426 5 20 IIBD C[C@@H](OC(=O)C1(NC(=O)OC(C)(C)C)Cc2ccccc2C1)c1ccccc1[N+](=O)[O-] 786095007 OCFABKMZXTXUHN-OAHLLOKOSA-N 426.469 4.261 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[C@@H](O)c1ccc(F)cc1 786389484 CSGQLUUHNNCXQV-DYZYQPBXSA-N 425.254 4.047 5 20 IIBD Cc1ccc(Br)nc1C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 786614727 ACINNBVWYNZFLO-UHFFFAOYSA-N 432.196 4.265 5 20 IIBD CC(C)(C)OC(=O)N1CCCc2cc(Nc3ccc([N+](=O)[O-])cc3S(C)(=O)=O)ccc21 786782457 LNKYNLKXVROWCY-UHFFFAOYSA-N 447.513 4.430 5 20 IIBD Cc1csc(C(C)(C)NC(=O)Nc2ccc([N+](=O)[O-])c(I)c2)n1 787808446 GJNSZVQCHGSLEO-UHFFFAOYSA-N 446.270 4.021 5 20 IIBD Cc1csc(C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)c1I 787858456 DFVLSECQXKRKHS-UHFFFAOYSA-N 444.206 4.068 5 20 IIBD CC(C)(C)C(=O)NC1CCC(C(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)CC1 789202418 DVWRYVYSOORLIR-UHFFFAOYSA-N 441.322 4.122 5 20 IIBD COc1ccc([C@@H](C)CC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cc1 791165193 AUSNZZICPPSKEV-ZDUSSCGKSA-N 433.302 4.444 5 20 IIBD Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OC[C@H]2CC3(CCC3)C(=O)O2)n1 791276285 UVVCDGDTQXAMFR-CYBMUJFWSA-N 434.495 4.154 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccnc(F)c1F 795672153 WASXVVNSVPDSMX-KRWDZBQOSA-N 447.781 4.458 5 20 IIBD Cc1ccc(F)c(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1Br 797365790 IVWARVIZGMOOIV-UHFFFAOYSA-N 426.198 4.284 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)CC1 799053254 OVMFCSJJPNFFBS-IQWFGDOHSA-N 429.561 4.233 5 20 IIBD COCc1nc(C(=O)OCc2cc(OC)c(F)cc2[N+](=O)[O-])c(-c2ccccc2)s1 799595513 LZKNHHBXKJRHRS-UHFFFAOYSA-N 432.429 4.369 5 20 IIBD COCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 802397329 DQAJKADBXGKEOT-OAHLLOKOSA-N 445.907 4.263 5 20 IIBD CC[C@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 804782735 PBNAFLPZFZXQAF-ZDUSSCGKSA-N 430.429 4.172 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1CCNC(=O)OC(C)(C)C 805299577 XTZQFRHFFIGQOH-RBUKOAKNSA-N 433.549 4.459 5 20 IIBD O=C(N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1cc([N+](=O)[O-])ccc1Cl 809024970 BBSPGZJDLVFXIG-GOSISDBHSA-N 428.794 4.399 5 20 IIBD COc1cc(/C=C/C(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc(OC)c1O 811137052 PFNWMOAMMBBZJX-ONEGZZNKSA-N 428.224 4.381 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCN(c2ccccc2Cl)C1 811415101 MTVLSUSAFPQKCS-HNNXBMFYSA-N 427.844 4.473 5 20 IIBD Cc1c(C(=O)NC[C@@H]2CCCCN(Cc3ccccc3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 812368838 BOKRDDGFPZMABE-IBGZPJMESA-N 440.500 4.152 5 20 IIBD CCOc1ccc([C@H](O)C2CCN(c3cc(Cl)c(C(=O)OC)cc3[N+](=O)[O-])CC2)cc1 812483048 VIGOSRSCCMJETO-NRFANRHFSA-N 448.903 4.384 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])ncc1Br)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C 813643851 CKTQXEAWVVKERT-JKSUJKDBSA-N 434.290 4.070 5 20 IIBD C[C@@H](c1ccc(F)cc1)N1CC[C@@H](OC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1=O 815180890 YNGAKBAHDQRSDN-YVEFUNNKSA-N 428.441 4.468 5 20 IIBD Cc1cc(Cl)c(C(=O)O[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1[N+](=O)[O-] 815407537 YDENUKAOGDIPCW-GOSISDBHSA-N 438.814 4.183 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cc(-c3ccncc3)on2)cc1)c1cccc([N+](=O)[O-])c1 916952192 AQFCAJQVTAHVSH-UHFFFAOYSA-N 430.376 4.116 5 20 IIBD O=C(COC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)NCc1ccc(-c2ccc(Cl)cc2)o1 917218266 HCXOTKYBXZNARZ-BASWHVEKSA-N 440.839 4.381 5 20 IIBD COC(=O)Nc1cccc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 917705822 MDCCITPLMDPKNZ-UHFFFAOYSA-N 426.351 4.233 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)N(Cn1nc(-c3cccnc3)n(-c3ccccc3)c1=S)CC2 919947795 PELSYXNKYYCRLY-UHFFFAOYSA-N 430.493 4.394 5 20 IIBD Cn1cc(C(=O)N2CC(Cc3c(F)cccc3Cl)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 1116233311 SCYZMXJOKPYHIO-UHFFFAOYSA-N 428.851 4.103 5 20 IIBD COc1cc(C(=O)N2CCC[C@@](C)(CO)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 1116367080 OYFFLVSWUFMFNF-OAQYLSRUSA-N 434.876 4.284 5 20 IIBD Cc1c(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cnn1-c1cccc(Br)c1 1318738997 AUPQELHFIWVSLP-UHFFFAOYSA-N 427.258 4.007 5 20 IIBD Cc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)cs1 1319204729 ZEPVBJVCDYHYRJ-UHFFFAOYSA-N 433.486 4.226 5 20 IIBD C[C@H](COc1ccccc1F)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 1325960776 NFIDJGITDDBMTO-GFCCVEGCSA-N 426.394 4.296 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H]1c1nnc(C23CC4CC(CC(C4)C2)C3)o1 1345685344 ZROGXCWYEOZFBO-BPQCLDNESA-N 428.514 4.484 5 20 IIBD CC(F)(F)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1 1786454799 HQGHAVSNNKHNKN-UHFFFAOYSA-N 434.443 4.352 5 20 IIBD C[C@@H]1CCc2c(C(=O)Nc3ccc(C4(NC(=O)c5ccc([N+](=O)[O-])o5)CCC4)cc3)n[nH]c21 1789007935 MPYLPMSSPNCLIR-CYBMUJFWSA-N 449.467 4.022 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc(Cl)o3)CCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 1790186288 KMOJLUMKMFFPRZ-UHFFFAOYSA-N 428.832 4.231 5 20 IIBD Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4cc([N+](=O)[O-])ccc4s2)C3)o1 1793755449 HRJZPRYAUVCHQC-MUJYYYPQSA-N 439.493 4.277 5 20 IIBD Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc([N+](=O)[O-])o3)n[nH]2)cc1C 1814311363 GWCSAUUHUQFEPY-KRWDZBQOSA-N 437.456 4.147 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C3CC3)cc2)[nH]n1)c1ccc([N+](=O)[O-])o1 1814312174 XZUOTDRBWRSTSR-GOSISDBHSA-N 449.467 4.408 5 20 IIBD Cc1c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CC3CC3)n[nH]2)cc(Cl)cc1[N+](=O)[O-] 1817034496 RFKSUAVUNCFBDL-QGZVFWFLSA-N 445.907 4.386 5 20 IIBD CC(C)=CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C)c([N+](=O)[O-])cn2)[nH]n1 1820804886 URBBBWYLSUGMOI-SFHVURJKSA-N 440.504 4.074 5 20 IIBD C/C=C/C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)n[nH]1 1820842439 AQWCJBBPIBHKDE-DBKQCEECSA-N 437.500 4.008 5 20 IIBD O=C([C@@H]1CC=CCC1)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830492408 FPTFPEVUJCPJDW-XMSQKQJNSA-N 443.519 4.324 5 20 IIBD O=C(COc1ccccc1Cc1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 10964243 IOMVHLOZSANCDU-UHFFFAOYSA-N 434.448 4.364 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc1OC 10986129 XRNGCWKTADPSBU-UHFFFAOYSA-N 442.497 4.464 5 20 IIBD CCCOc1c(Cl)cc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC 12252727 ARKKYQOENXFXJY-GFCCVEGCSA-N 436.848 4.230 5 20 IIBD O=C(Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccc([N+](=O)[O-])s1 15436977 SEFNHUFEENCOMO-UHFFFAOYSA-N 437.886 4.363 5 20 IIBD CSCC[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)OCc1ccc(C)cc1 22677504 DJWLNZUFMYSRLP-KRWDZBQOSA-N 436.917 4.152 5 20 IIBD CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 23119588 HUXJHYXYWLNTLI-UHFFFAOYSA-N 433.511 4.091 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC([C@H](O)c3ccccc3)CC2)CC1 23383793 VWKUOIQWHKGHDZ-XMMPIXPASA-N 437.540 4.417 5 20 IIBD O=[N+]([O-])c1ccc(Sc2nnc(CN3CCCCC3)n2-c2ccccc2)c([N+](=O)[O-])c1 29003324 GIKAEHKDUYBKHN-UHFFFAOYSA-N 440.485 4.221 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)[C@H]3CCC[C@@H](C)C3)cc2)cc1[N+](=O)[O-] 29997987 DNDUJLXGKSBJFY-BEFAXECRSA-N 445.541 4.355 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)cc1 58386044 ZKNLCQWVDFKBGY-ZDUSSCGKSA-N 448.435 4.056 5 20 IIBD Cc1occc1C(=O)Nc1cc(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)ccc1F 58548947 TTZOJEWWBVZAHS-UHFFFAOYSA-N 441.419 4.121 5 20 IIBD COc1cc(C(=O)N(C)Cc2ccc(SC)c(OC)c2)c([N+](=O)[O-])cc1OC(F)F 58778187 DHSVZBVSKIBPOJ-UHFFFAOYSA-N 442.440 4.208 5 20 IIBD O=C(c1cnn(-c2ccc(Cl)cc2Cl)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 72024547 GNNNZZQQXNVMQU-UHFFFAOYSA-N 446.294 4.050 5 20 IIBD O=C(NCc1ccc(F)cc1)C1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 97476799 VYJXDRLCANMOSM-UHFFFAOYSA-N 436.281 4.029 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1cccc(OCC(F)(F)F)c1 107640916 MZSUJTGFHFIBJR-UHFFFAOYSA-N 440.421 4.412 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1oc2ccccc2c1CSc1ncccn1 109391260 FBIUBVAARSIGPJ-UHFFFAOYSA-N 449.492 4.265 5 20 IIBD NC(=O)c1ccc(CNc2ccccc2C(=O)Nc2ccc(F)cc2Cl)c([N+](=O)[O-])c1 117567639 NCDQRYDJKXPYIC-UHFFFAOYSA-N 442.834 4.351 5 20 IIBD O=[N+]([O-])c1cc(I)ccc1N1CCC([C@@H](O)c2ccccc2)CC1 301079419 GCVJBFMMKUMUKZ-SFHVURJKSA-N 438.265 4.149 5 20 IIBD CCc1nc2ccccc2n1C1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 301954939 KBVCHWQFZOGBNF-UHFFFAOYSA-N 433.512 4.241 5 20 IIBD O=C(NCCCOc1ccc(Cl)cc1Cl)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 303004896 PDSDFAZDRLAJHX-UHFFFAOYSA-N 435.267 4.286 5 20 IIBD CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1(C)C 303807188 HUSITWYJUYTVQM-ONGXBYRLSA-N 426.517 4.439 5 20 IIBD CN(C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O 426863149 CXLDASWQUFCFNT-UXHICEINSA-N 448.566 4.174 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)cc(Br)cc1[N+](=O)[O-] 430324916 VZLDYJOCJKNFOE-HZPDHXFCSA-N 446.301 4.057 5 20 IIBD C[C@@H]1Sc2ccccc2N(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)[C@@H]1C 430666913 ZSYFZIXQELAMES-KGLIPLIRSA-N 427.482 4.199 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N(CCc1ccccn1)Cc1cccnc1 430908578 WKRNLCKIAGSZSL-UHFFFAOYSA-N 439.903 4.035 5 20 IIBD O=C(Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 435373444 UVQHCWZMXRABDX-SFHVURJKSA-N 425.876 4.144 5 20 IIBD C[C@@H](NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1ccc(-n2cncn2)cc1 435815098 ASOBOKZVNAOXLT-CYBMUJFWSA-N 445.429 4.031 5 20 IIBD CN(CCCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C1CCCCC1 435877628 SRVDEQAGIPAMME-UHFFFAOYSA-N 427.495 4.344 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 439921822 ZMVYKSMNPNXXSX-UHFFFAOYSA-N 434.443 4.058 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2CC(C)(C)OC(C)(C)C2)c([N+](=O)[O-])c1 443500706 NAJRPGUQXFUZHF-UHFFFAOYSA-N 426.469 4.006 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCO[C@H](C2CCCCC2)C1 444317230 VEBKMAGFGHEJEZ-FQEVSTJZSA-N 426.463 4.381 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 444627379 ABLKLHZORZORMI-UHFFFAOYSA-N 434.374 4.009 5 20 IIBD CC[C@@H](C)c1ccc(NC(=O)Cc2noc(-c3cc(C(=O)OC)cc([N+](=O)[O-])c3)n2)cc1 445270550 QVLUVTBLIBVMTL-CYBMUJFWSA-N 438.440 4.126 5 20 IIBD Cc1c(C)n(C[C@@H]2CCCO2)c2ncnc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)c12 445956867 MAORDCHDJVSPHW-SFHVURJKSA-N 437.500 4.052 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(C(=O)c2sc3ccccc3c2C)CC1 446497110 GWHGUQLDILPEDK-UHFFFAOYSA-N 438.509 4.416 5 20 IIBD O=C(N[C@@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1)c1cc2ccccc2o1 446626459 XQKPGHVUXAQGRV-MRXNPFEDSA-N 427.844 4.029 5 20 IIBD O=C1[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)CCN1c1cccc(Br)c1 447680430 GZXVPTNZDMAHDX-KRWDZBQOSA-N 427.258 4.123 5 20 IIBD Cc1cc(C)n(-c2ccc([C@@H](C)Nc3cc(CN4CCOCC4)ccc3[N+](=O)[O-])cc2)n1 447815466 DMVOJBBMUGBRPV-LJQANCHMSA-N 435.528 4.403 5 20 IIBD Cc1ccc([C@@H](NC(=O)c2ccccc2[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)c(C)c1 460585595 LOZMEAVCFSDOAV-QFIPXVFZSA-N 438.505 4.135 5 20 IIBD COc1ccccc1[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Cl 462307257 VOHHBGCWUAHFQW-HXUWFJFHSA-N 432.885 4.325 5 20 IIBD CCOc1cc(C(=O)Nc2cc(Br)c(C)cc2OC)c([N+](=O)[O-])cc1OC 462591105 KSHCIBCTSOHWQG-UHFFFAOYSA-N 439.262 4.334 5 20 IIBD O=C(NCCCNc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1ccc(Br)cc1 462801510 JQBZEDWSTGJDMK-UHFFFAOYSA-N 444.232 4.191 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Sc3ccncc3)cc2)c2ncccc12 463792894 CIGCMTMHFJPYGU-UHFFFAOYSA-N 438.490 4.490 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@@H](C)c3cccc(-n4cccn4)c3)cc2)c(C)c1[N+](=O)[O-] 465222506 SUSFUMTWFXTNNR-INIZCTEOSA-N 444.495 4.133 5 20 IIBD CS[C@H](CO)[C@@H](C)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 467935526 OSIVOXJWZJKLQO-BDJLRTHQSA-N 426.947 4.242 5 20 IIBD C[C@@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(OCC2CC2)c(F)c1 469442625 LKEILUOVSBOLOB-CQSZACIVSA-N 438.459 4.414 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 470365152 OFQHHTXGKZMSMP-CYBMUJFWSA-N 428.436 4.202 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 470711335 XXWJRWCWNMNSFO-UHFFFAOYSA-N 435.337 4.463 5 20 IIBD COc1ccccc1[C@H](CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])OC(C)C 471574905 QJKYEIUDLTZUOT-VLIAUNLRSA-N 436.892 4.307 5 20 IIBD COc1ccc(CN(C)C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)cc1O 473907886 SRYCHBYJANHSGE-UHFFFAOYSA-N 445.522 4.497 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1cnn(-c2ccc(Cl)cc2Cl)c1 473910760 IIOONMOSSATPTG-UHFFFAOYSA-N 427.269 4.234 5 20 IIBD CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 475218046 XXEQNVKXDQBNKT-OLZOCXBDSA-N 430.427 4.162 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 477088103 JOSSBYZECPZSLL-QGZVFWFLSA-N 429.477 4.248 5 20 IIBD CCOc1cc(C(=O)N2CCC(n3c(C)nc4ccccc43)CC2)c([N+](=O)[O-])cc1OC 477387794 ZQWVLGDBQXVUIZ-UHFFFAOYSA-N 438.484 4.138 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H](OC)c1ccccc1Cl 479778618 BLAWCZPMHHIBNW-ORAYPTAESA-N 438.933 4.493 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2ccccc2OC)nnc1-c1ccc([N+](=O)[O-])cc1 481362383 GCJYWEOEQOAPLH-ZDUSSCGKSA-N 427.486 4.001 5 20 IIBD O=C(O)c1cc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc([N+](=O)[O-])c1 485648669 QYPGTSQJTCJTAO-UHFFFAOYSA-N 439.811 4.451 5 20 IIBD O=C(Cc1ccnc(O)c1Br)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 485923956 ONIBOJOFMXFBRN-UHFFFAOYSA-N 442.269 4.234 5 20 IIBD CC(=O)NC1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CC1 486103573 IANRJLGRDBCDAR-UHFFFAOYSA-N 444.919 4.037 5 20 IIBD CC(C)(C)[C@H](COc1ccccc1F)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 486420542 RCNGGQCRCJIMQD-FQEVSTJZSA-N 426.448 4.143 5 20 IIBD CSc1cccc(C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] 486436809 NHMBDJHBDLVHRY-KRWDZBQOSA-N 437.525 4.213 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N1CCC(c2ccsc2)CC1 486625778 HLLONFZJGFYIBL-UHFFFAOYSA-N 442.278 4.281 5 20 IIBD O=C(CCc1cc(Cl)ccc1Br)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 486986673 MTQXEZTWQGYYFX-UHFFFAOYSA-N 441.713 4.004 5 20 IIBD O=[N+]([O-])c1cc(CNCc2cn(-c3ccc(F)cc3Cl)nn2)cc(C(F)(F)F)c1 487188070 QKLKZTGIQOAOTC-UHFFFAOYSA-N 429.761 4.277 5 20 IIBD Nc1c(C(=O)NC2(c3ccc(OCc4ccccc4)cc3)CCOCC2)cccc1[N+](=O)[O-] 487580834 BDFCMNLWENCTQK-UHFFFAOYSA-N 447.491 4.192 5 20 IIBD Cc1nc(SCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)[nH]c1-c1ccccc1 488250501 POWZVMHHFKOFHT-UHFFFAOYSA-N 440.481 4.185 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(N2CCCC2=O)ccc1Cl 488555984 QOBLLORFBIPJOJ-UHFFFAOYSA-N 449.916 4.366 5 20 IIBD O=C(Nc1ccc(Oc2ccccc2F)nc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 490147330 ZOFRTBCPFRYQLG-UHFFFAOYSA-N 437.431 4.275 5 20 IIBD COc1ccc(Cl)cc1C[C@@H]1CCCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 497532789 FUHXPMRAADGVGO-AWEZNQCLSA-N 438.933 4.119 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CNCCc3cc(Cl)c4c(c3)OCCO4)cs2)c1 500136442 URDBDXZSRJHKQD-UHFFFAOYSA-N 431.901 4.475 5 20 IIBD CCOc1ccc(-c2csc(NC(=O)c3cc(OC)c(OC)cc3[N+](=O)[O-])n2)cc1 500294489 PYTSMMGRLLSBNU-UHFFFAOYSA-N 429.454 4.387 5 20 IIBD CC(C)CN1CCC(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 502627688 YXSUDLLCXGBSJO-QGZVFWFLSA-N 425.533 4.013 5 20 IIBD CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1ccccc1CN1CCC(O)CC1 504905538 JZHFGMDHOFBENX-FQEVSTJZSA-N 429.586 4.212 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCCN(CC4CCC4)CC3)cc2[N+](=O)[O-])n1 508013720 QAGIGZQGUOKVMB-UHFFFAOYSA-N 446.598 4.459 5 20 IIBD CCOc1cc(Br)c(NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1OCC 511602840 CVVSFFWVFQROTA-UHFFFAOYSA-N 439.262 4.416 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1c[nH]nc1-c1ccccc1 513807198 XEEWDNWTCDAZLU-UHFFFAOYSA-N 448.220 4.150 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 514066067 JUVYAXSVPQZIPJ-QTJGBDASSA-N 430.508 4.495 5 20 IIBD COc1cc([C@@H](C)NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OC1CCCC1 514576659 NEEOCWAMUWHWAR-CQSZACIVSA-N 442.468 4.187 5 20 IIBD CCCNC(=O)c1ccc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 515668880 AEBMQOHHTUPUQX-UHFFFAOYSA-N 438.406 4.194 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 518812576 UTWAGCGMCGIXPN-UHFFFAOYSA-N 439.859 4.260 5 20 IIBD COc1ccccc1NC(=O)c1ccc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1 520097295 RYWOBBPOJFRSQA-UHFFFAOYSA-N 444.447 4.449 5 20 IIBD O=C(Nc1nc(-c2ccccc2)co1)c1cc(I)cc([N+](=O)[O-])c1 521082401 COUUYHQTRLWRQA-UHFFFAOYSA-N 435.177 4.107 5 20 IIBD COc1cccc(CN(C[C@@H]2CCCO2)C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 521330994 OXYSTNTUHOLOFT-JXFKEZNVSA-N 430.526 4.292 5 20 IIBD CCOC(=O)c1ccnc(NC[C@H](c2c(F)cccc2Cl)N2CCCC2)c1[N+](=O)[O-] 523112664 VVQRPBOQOKOCMH-MRXNPFEDSA-N 436.871 4.208 5 20 IIBD COc1cc([C@@H](C)NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)ccc1OC1CCCC1 525044042 YSHMXOLQEOBGGQ-CQSZACIVSA-N 444.484 4.433 5 20 IIBD O=C(N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1)c1cc2c(cc1[N+](=O)[O-])OCO2 530560309 VWWCYORBUFXORM-LBPRGKRZSA-N 438.267 4.029 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC=C(c2c[nH]c3cc(F)ccc23)CC1 532663413 TYMIRSKRSATWGC-UHFFFAOYSA-N 438.459 4.342 5 20 IIBD CC[C@H](C)N(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1nc(O)c2ccccc2n1 533061282 KKUGEVSCPBULAQ-ZDUSSCGKSA-N 443.891 4.136 5 20 IIBD CCC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 535499433 IKJBPJOHBBMUHG-MRXNPFEDSA-N 447.557 4.119 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] 537438019 KGEIXZDTWBHSTE-DOTOQJQBSA-N 435.402 4.313 5 20 IIBD Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 539448295 VBGDQYYPLXRUCL-UHFFFAOYSA-N 449.452 4.007 5 20 IIBD COc1ccc(SC)c(OC)c1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 540499880 AGZGWPQCYUIJSR-UHFFFAOYSA-N 432.498 4.018 5 20 IIBD CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1Cl 542930082 JNAGUCVIKNABKW-UHFFFAOYSA-N 437.783 4.026 5 20 IIBD COC(=O)c1cc(Br)ccc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F 543443257 YUYOMIOPTAAXOG-SECBINFHSA-N 425.210 4.025 5 20 IIBD CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F 543583663 ZDZMDUIOCUEALT-QFBILLFUSA-N 429.492 4.056 5 20 IIBD Cc1ccccc1Nc1nc(Cn2cc([N+](=O)[O-])c(C)c(Br)c2=O)cs1 544076576 VIWAUHCJFAWQJQ-UHFFFAOYSA-N 435.303 4.384 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc(Br)cc1C(F)(F)F 544124657 DMHAVFVLCUEPCA-UHFFFAOYSA-N 433.180 4.315 5 20 IIBD COc1ccc(C(=O)CC(C)(C)Cc2nc(Cc3ccc([N+](=O)[O-])c(OC)c3)no2)cc1 545057024 BMLMOZFDDMRNDV-UHFFFAOYSA-N 439.468 4.428 5 20 IIBD COc1ccc(C(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)cc1Cl 545480747 SOWBDUOOCDGTCU-UHFFFAOYSA-N 430.766 4.031 5 20 IIBD Cc1cc(=O)c(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)nn1-c1ccccc1C(F)(F)F 545553042 FPXMEWAXTVNAGA-UHFFFAOYSA-N 443.341 4.185 5 20 IIBD COCC[C@H](Cc1cccc(Br)c1)c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 545786708 ZKYUSBQDIMYKIS-CQSZACIVSA-N 447.289 4.089 5 20 IIBD CCOC(=O)c1oc2ccccc2c1CSc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C 546526115 GLIPGYKMEQYMAD-UHFFFAOYSA-N 439.449 4.057 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 553040341 ABWCRTJWGSBRQR-QYZOEREBSA-N 431.286 4.002 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3C[C@H](N4CCCC4)C[C@@H]3C)cc2[N+](=O)[O-])n1 553168784 VABZZQIDNYXPTA-GOEBONIOSA-N 432.571 4.210 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2cncc(Cl)c2Br)cc1SC 558214065 KSQRJSFLFCIOBC-UHFFFAOYSA-N 432.683 4.389 5 20 IIBD COc1ccccc1O[C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 560788997 IHKMZOKIXCSFFY-KRWDZBQOSA-N 439.493 4.411 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN3CCN(c4cc(C(F)(F)F)ccn4)CC3)o2)c1 573581237 RONDTEYHROEHSR-UHFFFAOYSA-N 447.417 4.028 5 20 IIBD O=[N+]([O-])c1ccc(N2CC[C@](CO)(Cc3ccc(F)cc3)C2)nc1OCc1ccccc1 574478101 SHOPYZQWGLRTFG-DEOSSOPVSA-N 437.471 4.139 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(CC)[C@@H]2c2ccc(Cl)c(F)c2)c1 578135603 KSRGTPCWOVIALM-UYAOXDASSA-N 435.883 4.351 5 20 IIBD COc1cc([C@@H](C)NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)ccc1OCC(C)C 583236318 JKGVZZOUGUVGAG-MRXNPFEDSA-N 443.500 4.303 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1c(F)cccc1F)C1CCCC1 583557556 PPZSAKMCOXTQGN-UHFFFAOYSA-N 431.439 4.345 5 20 IIBD CCc1c(Br)cc(C(=O)N(C)c2ccc([N+](=O)[O-])nc2)cc1Br 588983430 ADUOOHFXUCDEFN-UHFFFAOYSA-N 443.095 4.354 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c(Br)c1 603975451 AHBOACKOKCQJMG-UHFFFAOYSA-N 437.218 4.068 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1 604510726 KTTIJLZGAOTAEL-UHFFFAOYSA-N 425.828 4.295 5 20 IIBD O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 604519011 WFBJVEUBMOZQBW-SFHVURJKSA-N 436.537 4.360 5 20 IIBD COc1ccc(C(=O)N2c3ccccc3CC[C@H]2C(=O)Nc2ccc(F)cc2)cc1[N+](=O)[O-] 608871406 CBTFBZNHVPXFAM-FQEVSTJZSA-N 449.438 4.343 5 20 IIBD CC[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)O1 609530809 GWTQYKCAXOOTBU-UKRRQHHQSA-N 431.876 4.140 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 609548645 RJGCGISFSPSRRV-RKDXNWHRSA-N 437.296 4.052 5 20 IIBD CCc1ccccc1NC(=O)[C@H](C)SCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 609770580 BZEKYOUNTREAKR-AWEZNQCLSA-N 429.498 4.216 5 20 IIBD CCCN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc([N+](=O)[O-])cc1Br 610036005 JSKFPUSEVSWMGF-CQSZACIVSA-N 435.274 4.050 5 20 IIBD O=C(NCCCOc1cccc2cccnc12)c1ccc([N+](=O)[O-])cc1Br 610063707 CBTIKDDDGWTDFO-UHFFFAOYSA-N 430.258 4.104 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3C[C@@H](C(F)(F)F)O[C@H](C)C3)cc2[N+](=O)[O-])n1 610398759 MXURWWSRLJSDJV-YGRLFVJLSA-N 447.460 4.303 5 20 IIBD CCOc1ccc(C(=O)N[C@@H](C(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)C(C)C)cc1 610555996 HIWRODMVCSNYMS-NHCUHLMSSA-N 427.501 4.015 5 20 IIBD Cc1cc(C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)ccc1N1CCNC1=O 610892630 CCAJCXDSDRIJTP-UHFFFAOYSA-N 437.481 4.117 5 20 IIBD COC[C@H](N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)C1CC1 610999347 HGMJJMYWBKCSGK-RBUKOAKNSA-N 448.317 4.052 5 20 IIBD COC(=O)c1cc(NC(=O)CSc2ccccc2[N+](=O)[O-])c(Br)cc1F 612044167 UBZSUABUUKVUFS-UHFFFAOYSA-N 443.250 4.014 5 20 IIBD O=C(Cn1c(COc2ccccc2)nc2ccccc21)N1CCc2cc([N+](=O)[O-])ccc21 612645673 IGACPNHCUBTSRZ-UHFFFAOYSA-N 428.448 4.113 5 20 IIBD COc1cc(C(=O)N[C@@H]2CCC[C@H]2N(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 614712521 GTEMSJJGUJGDEY-HZPDHXFCSA-N 433.892 4.262 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1OCc1ncnn1-c1ccccc1 619585348 CDDLMNKFRLHURB-UHFFFAOYSA-N 426.230 4.065 5 20 IIBD C[C@H](OC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C(=O)N(c1nccs1)C1CCCCC1 725938121 WIRGXDUJRTTYCH-NSHDSACASA-N 439.440 4.241 5 20 IIBD CCSc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)ccn1 727329951 ISXLBDGTLKBXJY-UHFFFAOYSA-N 440.447 4.083 5 20 IIBD O=C(Nc1cc(-c2nnc3n2CCCCC3)ccc1F)c1cc(F)c(F)cc1[N+](=O)[O-] 727707345 NWHKZWJRPFKIQL-UHFFFAOYSA-N 431.374 4.249 5 20 IIBD CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)N[C@H]1c1cc([N+](=O)[O-])c(F)cc1F 731420790 MCOJVTJZXICAHP-IBGZPJMESA-N 431.395 4.289 5 20 IIBD COc1cc(C)c([C@H](C)Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])cc1OC 731968415 YVTPKYGUSZWYFG-NSHDSACASA-N 430.429 4.090 5 20 IIBD CCNc1ccc(C(=O)OCc2csc(-c3ccc(O)c(OC)c3)n2)cc1[N+](=O)[O-] 733389722 KKWOGIPWUXNFTC-UHFFFAOYSA-N 429.454 4.221 5 20 IIBD Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)OCc1nc2ccccc2c2ccccc12 733516023 LXBSDYBTCYFMSQ-DEOSSOPVSA-N 441.466 4.349 5 20 IIBD CC(C)Oc1ccc([C@@H](O)CNc2ccc(I)cc2[N+](=O)[O-])cc1 734831881 DUXNGVUJPSOIRK-KRWDZBQOSA-N 442.253 4.132 5 20 IIBD O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)OCc1ccc(Cl)cc1[N+](=O)[O-] 734886899 FRXAOEVSHZAGKI-HNNXBMFYSA-N 427.265 4.448 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1cnn(-c2ccccn2)c1C(F)(F)F 735644250 LYUNGJWGBGYATF-UHFFFAOYSA-N 426.738 4.375 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cccc(Oc2nccs2)c1 736917374 FFPJURJCDWUCED-GFCCVEGCSA-N 443.437 4.036 5 20 IIBD COC(=O)Nc1ccc(CCNc2ccc(I)cc2[N+](=O)[O-])cc1 737413921 DQXUPUDWGNPPOP-UHFFFAOYSA-N 441.225 4.032 5 20 IIBD Cc1ccccc1[C@H](C)NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 744554485 PVXFILFNCMQPHP-ROUUACIJSA-N 439.512 4.316 5 20 IIBD O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1ccc2c(=O)n3c(nc2c1)CCCCC3 746056426 JGJPQRTVYNPOOD-UHFFFAOYSA-N 427.844 4.042 5 20 IIBD COc1cccc([C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])c2cc(F)ccc2OC)c1 746534575 OLNLNZDVDSZQFV-NRFANRHFSA-N 428.391 4.410 5 20 IIBD CO[C@H](C)c1noc(COC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)n1 747676589 JPZZCIDYEIKMRF-GFCCVEGCSA-N 446.847 4.308 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccccc1NC(=O)OC(C)(C)C 748336454 VNSQRICAFPHIIV-UHFFFAOYSA-N 429.429 4.046 5 20 IIBD O=C(NCc1ccc(Oc2cccc(F)c2)nc1)c1cc([N+](=O)[O-])ccc1N1CCCC1 749227317 FZXSZMOKCGSYMD-UHFFFAOYSA-N 436.443 4.451 5 20 IIBD CCc1ccc([C@@H]2COCCN2C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)o1 749575758 JSDGMGYQASBUTF-AWEZNQCLSA-N 443.681 4.380 5 20 IIBD CSc1ccc(NC(=O)COC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1 751643911 MQPZENYSKKKWDO-UHFFFAOYSA-N 426.903 4.244 5 20 IIBD O=C(CC1CCCC1)NC1CCC(C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 751655952 DLIJGCXBQRXBAX-UHFFFAOYSA-N 429.473 4.035 5 20 IIBD Cc1cc(F)cc(C(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1[N+](=O)[O-] 753076377 MTGNGVIDZRKCQD-UHFFFAOYSA-N 439.409 4.409 5 20 IIBD COC(=O)c1cc(NC(=O)NCCc2ccc(N3CCCCC3)cc2)c(C)c([N+](=O)[O-])c1 753127578 YDAHJIIXNMUQFA-UHFFFAOYSA-N 440.500 4.044 5 20 IIBD O=C(Cc1c[nH]c2cccc(Br)c12)OCc1nc2cc([N+](=O)[O-])ccc2o1 754327938 HSFUBQHVAXVDGE-UHFFFAOYSA-N 430.214 4.266 5 20 IIBD CN(C(=O)c1scnc1Br)c1nc(-c2ccccc2[N+](=O)[O-])cs1 754419826 KTRSVMXSHOXIDB-UHFFFAOYSA-N 425.289 4.214 5 20 IIBD O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)NCc1cc([N+](=O)[O-])ccc1Cl 756994212 RVUJUZWVJDCQMW-OAQYLSRUSA-N 437.883 4.426 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cnc(Br)c(Br)c2)c1 757831197 KHXWMGZNGABPME-UHFFFAOYSA-N 447.108 4.489 5 20 IIBD CC(C)(C)OC(=O)NCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 760289400 HFAODILIXSTODF-UHFFFAOYSA-N 435.864 4.404 5 20 IIBD C[C@@H](C(=O)Nc1ccc(OCCNC(=O)OC(C)(C)C)cc1)c1cccc([N+](=O)[O-])c1 762263238 KYGVVUMHNDNXPL-OAHLLOKOSA-N 429.473 4.241 5 20 IIBD O=C(CSc1nnc(-c2cccs2)n1C1CC1)OCCc1ccccc1[N+](=O)[O-] 762705026 HIJFQUBFGDQEGI-UHFFFAOYSA-N 430.511 4.128 5 20 IIBD Cc1cc(NC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1-c1ccccc1 762950515 SGQONPHSCAOTOT-UHFFFAOYSA-N 439.493 4.166 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 765217573 VESSYHGARQPMAB-RHSMWYFYSA-N 437.562 4.472 5 20 IIBD CC(C)(C)Oc1cc(F)ccc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 766570611 FTRXZPXHEKHNKO-LBPRGKRZSA-N 433.411 4.042 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1C[C@H](c2ccccc2)c2ccccc21 767147145 YGULCVVMEGSEEL-JOCHJYFZSA-N 429.476 4.224 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc1[N+](=O)[O-] 769364444 GBGARGAWJXCGJW-CYBMUJFWSA-N 430.486 4.167 5 20 IIBD Cc1ccc(-c2nnc([C@H](C)OC(=O)c3cc(Br)ncc3[N+](=O)[O-])o2)cc1 769825963 NWDYXBCOBXNWDV-JTQLQIEISA-N 433.218 4.029 5 20 IIBD COc1ccc(CC(=O)OCc2ccc(OCc3ccccc3F)nc2)cc1[N+](=O)[O-] 772085206 XWSIYWFEKXOHIM-UHFFFAOYSA-N 426.400 4.002 5 20 IIBD Cc1cc(C[C@H](C)NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)n(-c2ccccc2)n1 773038474 SWDHHCAGFFEYBP-AWEZNQCLSA-N 427.892 4.173 5 20 IIBD C[C@@H](CCOC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1c[nH]c2ccccc12 774572395 LEBXOKWBGCUVTG-KSSFIOAISA-N 441.509 4.479 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccccc1[C@@H](O)C(F)(F)F 777830288 XPRLVYOKRQQJJC-OAHLLOKOSA-N 433.180 4.134 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@H](c1ccccc1OC(F)F)C(F)(F)F 779103803 QWLJYQKTNAISEH-OAHLLOKOSA-N 438.280 4.134 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)OC[C@@H]1CC(=O)N(Cc2ccccc2)C1 780388323 OVHCUJZHWOSQPN-QGZVFWFLSA-N 428.510 4.302 5 20 IIBD C[C@@H](OC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C(=O)Nc1cccc(F)c1 781256968 IHBYOPWAGBFURB-LLVKDONJSA-N 440.377 4.283 5 20 IIBD C[C@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1noc(-c2ccc(Cl)cc2)n1 781719980 WNCROXJFECNTDZ-NSHDSACASA-N 445.819 4.016 5 20 IIBD CC(C)(C)c1nc(C(=O)Oc2cc([N+](=O)[O-])ccc2I)cs1 781744917 MZEVYGPCVOQPKE-UHFFFAOYSA-N 432.239 4.173 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCc1cccc(NC(=O)c2ccccc2)c1 781799591 LDHCVEWUZKIKAH-UHFFFAOYSA-N 449.419 4.431 5 20 IIBD Cc1c(C)n(C[C@H]2CCCO2)c2ncnc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)c12 782574096 CZKFWABVMPUNSC-CQSZACIVSA-N 429.864 4.041 5 20 IIBD COC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)OC(=O)c1c(Cl)cccc1[N+](=O)[O-] 783151163 ZHMGCHANDRJXLV-AWEZNQCLSA-N 431.750 4.208 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)OCc1nnc(-c2cc3c(s2)CCCC3)o1 783267192 ZIZJVDBXQUDPSR-UHFFFAOYSA-N 438.465 4.283 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCCCC[C@@H]1C[C@H](O)c1ccccc1 785218546 FLQIGBLZIVNBCP-XLIONFOSSA-N 445.903 4.082 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N(Cc2ccco2)Cc2ccco2)c(Cl)cc1Cl 791416705 DQJHDCBSYRGPAY-UHFFFAOYSA-N 431.253 4.479 5 20 IIBD CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cn1 792202938 PIZSWIYIUOAHGD-FQEVSTJZSA-N 443.891 4.232 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cc(Cl)cc(F)c1Br 792699844 NDRQWGHZBDJWAR-UHFFFAOYSA-N 445.628 4.254 5 20 IIBD C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 793591773 SVVPEPPYNZQSKP-AUUYWEPGSA-N 447.417 4.292 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3ccc(Br)c([N+](=O)[O-])c3)CC[C@H]21 795132050 OSKQVUSRZKKPFW-GDBMZVCRSA-N 440.338 4.189 5 20 IIBD CCc1onc(-c2ccccc2)c1C(=O)O[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 795934251 OUVGMXACZUJMBG-CYBMUJFWSA-N 439.424 4.005 5 20 IIBD CC(C)(C(=O)OCC(=O)NCc1ccccc1OC1CCCC1)c1ccccc1[N+](=O)[O-] 796446556 ZHJXXQFZIHZLJA-UHFFFAOYSA-N 440.496 4.053 5 20 IIBD COc1cccc(CN(C)C[C@H](O)c2cccc([N+](=O)[O-])c2)c1OCc1ccccc1F 801600609 HKHYEGWOHUZAEA-QFIPXVFZSA-N 440.471 4.487 5 20 IIBD COCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 803626262 QKXMYPYQMYYAOZ-MRXNPFEDSA-N 428.228 4.317 5 20 IIBD COc1ccc(N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cc1Cl 809826242 XDBKCWHWTLUGRX-UHFFFAOYSA-N 425.677 4.389 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCC(c2nc(-c3ccccn3)no2)CC1 809914271 CQYIILFVVFHTGB-UHFFFAOYSA-N 428.836 4.105 5 20 IIBD COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1Cl 811831861 IORKPJIBXIOTKF-UHFFFAOYSA-N 439.660 4.142 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCN(C(=O)NCc3ccccc3[N+](=O)[O-])C2)C1 814361705 BCPJUVNEKTYZSG-OALUTQOASA-N 446.548 4.164 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)c1nc(Cc2ccc(Cl)cc2)no1 814484936 QAYFQPCYCXDNQX-NSHDSACASA-N 448.838 4.345 5 20 IIBD C[C@H](OC(=O)c1cc(Cl)c(F)cc1N)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 815257369 JSNFJJYNBWESEB-ZETCQYMHSA-N 449.744 4.172 5 20 IIBD O=C(O[C@H](c1nc2ccccc2o1)C(F)(F)F)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 816061995 DRJFDWKWSHIYJP-MRXNPFEDSA-N 432.314 4.382 5 20 IIBD O=C(OCC(=O)c1ccc([N+](=O)[O-])cc1)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 913253280 ZLAIYYGEIPEECP-JOCHJYFZSA-N 429.432 4.328 5 20 IIBD COc1ccccc1[C@@H](CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)N1CCCCC1 917090579 ZLFSMFCLHYDFBN-JOCHJYFZSA-N 438.528 4.135 5 20 IIBD O=C(NCc1cccc(NC(=O)c2ccccn2)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 918027108 WUGKDWIVBJBJNH-UHFFFAOYSA-N 425.832 4.217 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2N2CCCCC2)cc1Br 918145607 GWHAUDPVZIONRS-UHFFFAOYSA-N 440.319 4.148 5 20 IIBD Cc1sc2ncn(CC(=O)Oc3ccc(-c4ccccc4)cc3[N+](=O)[O-])c(=O)c2c1C 920330652 LTVLIFYXZWTHCD-UHFFFAOYSA-N 435.461 4.256 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)c1 920707207 RTYWLHYFLBKPNA-MRXNPFEDSA-N 434.448 4.378 5 20 IIBD Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 920819575 ASSQGHNRTWXBEN-UHFFFAOYSA-N 432.358 4.457 5 20 IIBD CCc1c(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2N)cnn1-c1ccccc1C 1116936891 QNENYFRRGDLGLS-UHFFFAOYSA-N 444.289 4.248 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)c(Cl)n1 1121274359 FYXSRUDULOYBJC-UHFFFAOYSA-N 431.617 4.117 5 20 IIBD COc1cc(C(=O)NCCSc2ncc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-] 1262819101 JUSMCTSNNCDWKC-UHFFFAOYSA-N 435.811 4.193 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(CCC(N)=O)cc2)cc1 1318224045 REVJRGQQLLKALL-UHFFFAOYSA-N 435.436 4.066 5 20 IIBD CCc1cc(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)nn1C 1320829996 VBZVTFYQFXRJQH-UHFFFAOYSA-N 432.839 4.406 5 20 IIBD CC(=O)C[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3F)CCC2)cc1 1791541272 SSLUYSFCMMTGLN-CQSZACIVSA-N 441.459 4.097 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(C2(NC(=O)c3cnoc3)CCC2)cc1 1792317814 PNNLEPACXNZMQV-IZZDOVSWSA-N 432.436 4.044 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2ccoc2s1)c1cc(F)cc([N+](=O)[O-])c1 1796582550 OOKUPVRHHMHZIY-MUJYYYPQSA-N 443.456 4.107 5 20 IIBD CCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc([N+](=O)[O-])c(O)cc2C)CC1 1831389217 LMMNWDUMAYYHBY-LJQANCHMSA-N 445.560 4.278 5 20 IIBD CCC[C@H]1CC[C@H](C(=O)N2CCCC23CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C3)CC1 1846077700 HTINWXWBAVZGGW-IYARVYRRSA-N 445.535 4.086 5 20 IIBD COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)o2)cc1 8633425 JVSBKOGAFHEVRA-SNVBAGLBSA-N 434.861 4.426 5 20 IIBD O=C(O[C@H](C(=O)NC1CC1)c1ccccc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 17656714 GVEFNIBRXWDWFG-QHCPKHFHSA-N 445.475 4.384 5 20 IIBD COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 28672871 ZLOYVGZFGLGKAF-MRXNPFEDSA-N 441.484 4.024 5 20 IIBD Cc1c(C(=O)Nc2nc3c(ccc4ccccc43)s2)nnn1-c1cccc([N+](=O)[O-])c1 31875573 DIIHLOKQXPAOSM-UHFFFAOYSA-N 430.449 4.499 5 20 IIBD CC(C)CCSc1ccc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)cc1[N+](=O)[O-] 31979882 UXZYHWZJAOKBQA-UHFFFAOYSA-N 437.543 4.357 5 20 IIBD C[C@H](Sc1nnc(COc2ccccc2Cl)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 36662006 DTDJSFCESNDDRR-LBPRGKRZSA-N 447.904 4.075 5 20 IIBD C[C@@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccc(Cl)cc1 60517372 PTBSGIGAEUVTKF-CYBMUJFWSA-N 442.946 4.122 5 20 IIBD C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1Cl 64837365 KUIWRPVMMZVHKB-LLVKDONJSA-N 434.855 4.236 5 20 IIBD Cc1cn2c(CN(C)C(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)c(C)nc2s1 217125319 LALWRMDIAJKOMW-UHFFFAOYSA-N 427.530 4.183 5 20 IIBD Cc1ccc(-c2csc(NC(=O)[C@@H](NC(=O)c3cccs3)C(C)C)n2)cc1[N+](=O)[O-] 247980516 GHENSPLKYXUWPW-KRWDZBQOSA-N 444.538 4.481 5 20 IIBD O=C(Nc1ccc(CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)cc1)c1ccco1 301124060 UGIUIJWUIKWPGN-UHFFFAOYSA-N 434.452 4.288 5 20 IIBD Cc1cc(N2CCC[C@@H]2c2nc(Cc3ccc(Br)cc3)no2)ncc1[N+](=O)[O-] 301414726 BGKOPSAPGUVUIS-OAHLLOKOSA-N 444.289 4.376 5 20 IIBD O=[N+]([O-])c1cncc(Br)c1N1CCCN(Cc2ccc(Cl)cc2)CC1 301821142 BKKIDCCUZSYIJL-UHFFFAOYSA-N 425.714 4.118 5 20 IIBD O=C(Nc1ccc2[nH]c(C3CCC3)nc2c1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303579282 ZYCOQOSHCVTDDT-INIZCTEOSA-N 439.497 4.043 5 20 IIBD O=C(Nc1cccc(N2CCCCCC2)c1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303800491 GRHLNBQOSWDVSS-SFHVURJKSA-N 442.541 4.280 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl 409588134 SUVQJBYFWICUFZ-UHFFFAOYSA-N 441.296 4.256 5 20 IIBD O=C(Nc1nnc(Cc2cccc(F)c2)s1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 410031748 YYERBXRXIRNRHS-UHFFFAOYSA-N 427.461 4.029 5 20 IIBD C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)C(=O)N1CCCC1 410179608 SJWDQUUYPNEIKB-ZDUSSCGKSA-N 433.917 4.140 5 20 IIBD O=C(c1ccc(C(=O)N2CCc3cccc(F)c32)c([N+](=O)[O-])c1)N1CCc2cccc(F)c21 427056479 GHWVSMXUYWBQFR-UHFFFAOYSA-N 449.413 4.279 5 20 IIBD CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 427429424 STEBCVAHGYLULS-UHFFFAOYSA-N 443.525 4.350 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccc(NC(=O)c2cccs2)cc1 428026525 BQHDHNLKIDKTLR-UHFFFAOYSA-N 448.460 4.474 5 20 IIBD O=C(Nc1nc([C@@H]2C[C@H]3CC[C@H]2C3)cs1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 435020111 NCLSWDRGANWVRD-GRDNDAEWSA-N 440.525 4.085 5 20 IIBD CN(CCN(C)C1CCCCC1)C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436316472 WVFAETHLFYWVTR-UHFFFAOYSA-N 427.495 4.296 5 20 IIBD C[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)[C@@H](OC1CCOCC1)c1ccccc1 437312180 WOIPLCBXGFBTEN-KSFYIVLOSA-N 430.526 4.129 5 20 IIBD C[C@@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(NC(=O)NC2CC2)cc1 438013794 QDYHSXPNJOHZAS-OAHLLOKOSA-N 437.500 4.314 5 20 IIBD CCOCc1ccc(NS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1 438727618 XINKWNGIAJLMAY-UHFFFAOYSA-N 429.292 4.003 5 20 IIBD CC[C@H]1CN(S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c2ccccc2O1 438767086 PAJPWOOTRNKYJF-LBPRGKRZSA-N 441.303 4.032 5 20 IIBD CCOCCOCc1cccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 438803131 XUKNWYIXGFSQAR-UHFFFAOYSA-N 449.312 4.256 5 20 IIBD CC(C)c1ccc(C(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] 438960945 CTHSQKUBCWWIKS-UHFFFAOYSA-N 427.476 4.026 5 20 IIBD Cc1c(CC(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)cccc1[N+](=O)[O-] 439116426 HENXLRXAFPHZGY-UHFFFAOYSA-N 436.430 4.329 5 20 IIBD Cc1ccc(NC(=O)C(=O)N(C)[C@@H](c2ccncc2)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 441867031 FQXDVOXPOLDLQX-HXUWFJFHSA-N 438.871 4.138 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC=C(c2ccc(O)cc2)CC1 443105014 ULNYQFLGRKDLAY-UHFFFAOYSA-N 429.281 4.085 5 20 IIBD COc1cccc(Cc2nnc(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)s2)c1 444007790 FYVZGTXQEHRZTO-UHFFFAOYSA-N 442.500 4.385 5 20 IIBD COc1ccc(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)nc1 444402695 FFXMMLARJFXFKQ-UHFFFAOYSA-N 443.843 4.383 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccc(CCN2CCCC2)cc1 445918400 AFPYUXHCSTYOCH-UHFFFAOYSA-N 432.318 4.177 5 20 IIBD Cn1nccc1N1CCC[C@@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 447080996 BFINJUWOXBYGGK-GOSISDBHSA-N 425.464 4.018 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C(=O)N2CCSCC2)c1C 462513022 RGHVWBPVNPOUKK-GOSISDBHSA-N 441.553 4.300 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 462616949 QHHAPEQEPUNYJL-CQSZACIVSA-N 440.891 4.309 5 20 IIBD O=C(NCCc1ccn(-c2ccc(F)cc2)n1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 463933173 GQCQVWLJRMDYSW-UHFFFAOYSA-N 437.456 4.016 5 20 IIBD COc1ccccc1O[C@H](C)CNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 464290254 JCUBUTLPPKUDIG-GFCCVEGCSA-N 444.431 4.298 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCO[C@@H](c2cccc(Cl)c2)C1 466309306 VIRQOVUGMOEWQA-QGZVFWFLSA-N 444.793 4.403 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCO[C@@H](c2cccc(Cl)c2)C1 466314875 SLRZIANNCSLLBE-MRXNPFEDSA-N 425.666 4.224 5 20 IIBD CCC(=O)N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C1 466542733 BNNWTQVJGQOHJJ-OAHLLOKOSA-N 433.917 4.140 5 20 IIBD COC[C@@H](C)Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 468363134 CRCHMAFBOMIIBE-SNVBAGLBSA-N 435.285 4.116 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCSc2ccc(C(F)(F)F)cc21 468857392 FCRRPFBZEFASFA-UHFFFAOYSA-N 440.399 4.066 5 20 IIBD COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 468963448 NEBWDGAVGPELJH-UHFFFAOYSA-N 440.905 4.374 5 20 IIBD O=C1CCC(=O)N1c1ccc(C(=O)N2CCCCC[C@@H]2/C=C\c2ccccc2)cc1[N+](=O)[O-] 469576445 LNJGAUMHUVIIQB-QXHGNLAOSA-N 447.491 4.346 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2scnc2C)c1 473410994 LLHIIVQAYFULSV-UHFFFAOYSA-N 446.510 4.030 5 20 IIBD Cc1c(COc2ccccc2)cccc1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 475156698 RIXJSRCPQCQPSH-UHFFFAOYSA-N 435.436 4.262 5 20 IIBD Cc1cc(C)n(-c2ccc(CNC(=O)c3cc(O)cc([N+](=O)[O-])c3)c(C(F)(F)F)c2)n1 475709218 KHZNBBFAJNXIPR-UHFFFAOYSA-N 434.374 4.052 5 20 IIBD CC(=O)N(c1nc(CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cs1)c1cccc(C)c1C 477060471 OWPUWBNDOVNVBK-UHFFFAOYSA-N 445.522 4.327 5 20 IIBD O=c1c(Br)cn(CCCCOc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 477426156 XUVNPRPDGFXTLL-UHFFFAOYSA-N 435.196 4.397 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 478221679 CPCXPYBBYHOXQP-DOTOQJQBSA-N 446.500 4.455 5 20 IIBD C[C@H]1CN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C[C@@]2(CCOC2)O1 478414095 UAKCWBOKYUAARG-LHSJRXKWSA-N 448.928 4.419 5 20 IIBD COc1cc(C(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)cc([N+](=O)[O-])c1C 479080917 SMGOVIPZBDSISX-UHFFFAOYSA-N 446.525 4.412 5 20 IIBD O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 479722298 SKTSDKZZKDLDKP-UHFFFAOYSA-N 433.399 4.037 5 20 IIBD Cc1ccc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc1OCC1CCOCC1 480208008 HASULSRHOZLZGZ-UHFFFAOYSA-N 434.514 4.126 5 20 IIBD O=C(Nc1ccc(Cc2nnc3n2CCC3)cc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 481103391 CPYRXTHHEJGXFP-UHFFFAOYSA-N 446.492 4.099 5 20 IIBD COc1cccc(Cc2nnc(NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)s2)c1 482842897 ALDYCKNAVIGYAM-UHFFFAOYSA-N 439.497 4.242 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(F)cc2Br)cc1SC 483441653 RYIOSOUITYMEDU-UHFFFAOYSA-N 429.267 4.157 5 20 IIBD CCOc1cc2c(cc1OCC)CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)CC2 485050019 USGMWZAYJAFTPI-UHFFFAOYSA-N 436.411 4.192 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CSc1nnc(CN2CCCCC2)n1-c1ccccc1 485362444 CUFSSLATINJPBY-UHFFFAOYSA-N 439.541 4.462 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(N2CCCCC2)CCN(C)CC1 485536951 NRIOOXOCYLMGAG-UHFFFAOYSA-N 448.633 4.023 5 20 IIBD O=C(Cc1cc(F)ccc1Br)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 486744769 NBPJIPYCMNCXLV-UHFFFAOYSA-N 435.171 4.374 5 20 IIBD COc1ccc(CSCC(=O)N2CCc3ccc(Br)cc32)cc1[N+](=O)[O-] 487546135 VIHJXLCZIUTZOO-UHFFFAOYSA-N 437.315 4.188 5 20 IIBD O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCC(N2CCCCC2=O)CC1 488541060 XABWCKOAHOYSMD-UHFFFAOYSA-N 439.537 4.363 5 20 IIBD CCn1c(SCC(=O)N[C@@H](C)Cc2ccccc2C)nnc1-c1ccc([N+](=O)[O-])cc1 489393096 NVTNIXLUMGNVGG-INIZCTEOSA-N 439.541 4.021 5 20 IIBD O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 490360320 CKEHRHBCXDIKLC-UHFFFAOYSA-N 440.872 4.338 5 20 IIBD COc1ccc(Cn2ccc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)n2)cc1 490393593 MKPHCXDINMZWKB-UHFFFAOYSA-N 449.511 4.337 5 20 IIBD CCOc1cc(CSc2nc3ccccc3c(=O)n2[C@H](C)COC)ccc1[N+](=O)[O-] 492209797 MILAAWATXLBUIZ-CQSZACIVSA-N 429.498 4.203 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC[C@H](c1cccs1)N1CCCC1 494218376 BUMWLEYRWGRISC-MRXNPFEDSA-N 442.463 4.311 5 20 IIBD CN(C[C@@H]1CCOC1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 494959834 NOKPKCHSMNFCEO-IFXJQAMLSA-N 448.317 4.005 5 20 IIBD CCOC(=O)c1cc(C)sc1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 500714061 REPVVVNAVJRGIF-UHFFFAOYSA-N 442.497 4.255 5 20 IIBD COCCn1c(SCc2c(F)cccc2[N+](=O)[O-])nc2sc3c(c2c1=O)CCCC3 504542211 NSISJDRLYWXYOF-UHFFFAOYSA-N 449.529 4.323 5 20 IIBD O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 505787090 KHHPPJKBBPWVEH-QGZVFWFLSA-N 438.267 4.241 5 20 IIBD O=C(CS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 509136156 HDTQEYSVVQGJBV-KRWDZBQOSA-N 443.308 4.039 5 20 IIBD O=C(NCC1(c2ccc(Cl)cc2)CCCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 510098382 JVSAGZPIQGWACG-UHFFFAOYSA-N 425.876 4.071 5 20 IIBD COc1cccc(OC(F)(F)F)c1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 510863363 BUKICGYMTRZALC-UHFFFAOYSA-N 427.379 4.237 5 20 IIBD COC(=O)c1cc(C(=O)N[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)cc([N+](=O)[O-])c1 511687560 DWTVPGQGHFCMFU-CQSZACIVSA-N 448.300 4.016 5 20 IIBD C[C@H]1CCCN(Cc2ccccc2CN[C@H](c2ccc([N+](=O)[O-])cc2)c2nccn2C)C1 514095914 TWIAARIILHNJLO-YADARESESA-N 433.556 4.439 5 20 IIBD COC(=O)c1ccc(-c2csc(NC(=O)c3cc(SC)ccc3[N+](=O)[O-])n2)cc1 514714621 PDPSFIFZIFEFCO-UHFFFAOYSA-N 429.479 4.479 5 20 IIBD COc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1NC(=O)c1ccc(Cl)cc1F 516130321 DXOBIQFIZHSOIL-UHFFFAOYSA-N 432.795 4.229 5 20 IIBD CCc1nc(CN(C)C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cs1 516801485 IXLGNFZQZMYIHZ-AWEZNQCLSA-N 425.514 4.454 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1csc(-c2ccoc2)n1)c1ccccc1[N+](=O)[O-] 517432980 FECSPRBWMJSZSR-OAHLLOKOSA-N 429.454 4.124 5 20 IIBD CCc1ccc([C@H]2COCCN2C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 524058583 QESASEXMXKIVOA-OAHLLOKOSA-N 444.431 4.461 5 20 IIBD Cc1cc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(C)n1C1CCCCC1 524892613 WNYRWQPGWLKOOW-UHFFFAOYSA-N 438.528 4.117 5 20 IIBD CCc1ccc([C@H](NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C(C)C)cc1 525453215 SNMJPWBJGOMNAQ-JOCHJYFZSA-N 438.528 4.022 5 20 IIBD COc1ccc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])cc1OCc1cn2ccccc2n1 525659884 ROWYHULRWLVGMK-UHFFFAOYSA-N 432.436 4.391 5 20 IIBD O=C(N[C@H]1C[C@H]1c1cccc(Br)c1)c1ccc(Br)cc1[N+](=O)[O-] 531188308 WERAIKYJRCUZBE-KBPBESRZSA-N 440.091 4.406 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(c2c[nH]c3ncccc23)CC1 533517703 CQQIWGAVTAXSBI-ZDUSSCGKSA-N 427.892 4.331 5 20 IIBD CCc1ccccc1NC(=O)[C@@H](C)[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534796117 HIVCGUCVXKRVTR-WYIRRWHOSA-N 427.482 4.088 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 536271139 XMGNSOJLYKSNCL-OAHLLOKOSA-N 449.442 4.214 5 20 IIBD CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 536318237 AWOFUFVPUUEDLT-HZPDHXFCSA-N 448.545 4.004 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 538041764 ALLSDPFQDFFOLB-HXPMCKFVSA-N 444.285 4.412 5 20 IIBD O=C(NCc1ccccc1CN1CCC[C@@H]1CO)c1cc2ccccc2c2cccnc12 541087841 GLUULEGFMHADNT-JOCHJYFZSA-N 425.532 4.275 5 20 IIBD CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CSc1ccccc1[N+](=O)[O-] 542194616 QOIMIGIQIRUROA-UHFFFAOYSA-N 442.324 4.481 5 20 IIBD O=[N+]([O-])c1cccc2ncnc(NC[C@H](c3ccc(C(F)(F)F)cc3)N3CCOCC3)c12 543435861 FTTNJZZEQBYART-GOSISDBHSA-N 447.417 4.042 5 20 IIBD Cc1cccc2[nH]cc(Cc3noc(-c4ccc(Sc5nncn5C)c([N+](=O)[O-])c4)n3)c12 544577888 YLTOEWYROZSIMK-UHFFFAOYSA-N 447.480 4.305 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(-c3nc(C4CC4)no3)cc2C)c1 544646057 DHESSROIRMRUNH-UHFFFAOYSA-N 428.470 4.248 5 20 IIBD COc1ccc(-c2nnc(SCc3nc(-c4ccc([N+](=O)[O-])cc4C)no3)o2)cc1 544724164 WXVQXDJPRANICM-UHFFFAOYSA-N 425.426 4.304 5 20 IIBD COc1ccc(CSCc2nc(-c3cc(OCC(F)F)ccn3)no2)cc1[N+](=O)[O-] 545137275 FNNKLMLIGFQIMT-UHFFFAOYSA-N 438.412 4.126 5 20 IIBD C[C@@H]1CCCN1C(=O)c1ccc(-c2noc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)n2)cc1 545144883 VXLUCQBWINXWCG-CQSZACIVSA-N 431.452 4.341 5 20 IIBD O=[N+]([O-])c1cc2c(cc1Cc1nc(Cc3csc(-c4ccccc4)n3)no1)OCCO2 545529270 AOWXOTFKFNOVRP-UHFFFAOYSA-N 436.449 4.054 5 20 IIBD CC(C)(C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1)c1ccc([N+](=O)[O-])cc1F 545831523 DGZGHKWVUPSCET-UHFFFAOYSA-N 428.445 4.359 5 20 IIBD Cc1cccc([C@@H]2CCCCCN2C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 546045984 LNPLEIYZIPFYGI-NRFANRHFSA-N 445.541 4.004 5 20 IIBD COc1ccccc1C1(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCC1 546840676 AIDAQZKKQYDWLD-UHFFFAOYSA-N 426.516 4.401 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N(CC(F)F)c2ccc(F)cc2)c(C(F)(F)F)c1 549606332 BNVCZZHPKSLEJO-UHFFFAOYSA-N 428.310 4.213 5 20 IIBD Cn1ccnc1[C@@H](NC1CCN(c2nc3ccccc3s2)CC1)c1cccc([N+](=O)[O-])c1 552045442 GXWCZEYBKZOSPK-NRFANRHFSA-N 448.552 4.286 5 20 IIBD COc1cc(OC)cc(Oc2ccc(CNC(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])cc2)c1 552651163 BHBRRGLWOGHDKO-UHFFFAOYSA-N 440.456 4.181 5 20 IIBD COc1cc(CN[C@@H]2CCOC3(CCOCC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 553541627 VIJCUPNAOGTWEJ-HXUWFJFHSA-N 442.512 4.000 5 20 IIBD COc1cc(Cc2noc(C3(Cc4ccc(F)cc4)CCOCC3)n2)ccc1[N+](=O)[O-] 556307897 JZLYDQQTKOAPPC-UHFFFAOYSA-N 427.432 4.007 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NCC(=O)c1cccs1 560218648 LFNQXHILXYLQGG-UHFFFAOYSA-N 446.488 4.051 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H]1c1ccc(I)cc1 571410680 KQJIHOITBDTSEH-AWEZNQCLSA-N 426.258 4.066 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCc2cc(F)c(C(F)(F)F)cc2F)cc1OC 574354490 XEGXBNFRVUENMP-UHFFFAOYSA-N 434.317 4.229 5 20 IIBD O=C(Nc1cc(CC2CC2)nn1-c1ccccc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 578582658 TZVWEYLPYCCVJX-UHFFFAOYSA-N 433.468 4.160 5 20 IIBD CC(=O)c1cc(Br)ccc1OCC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 584069329 JHISODZWEHQMNA-UHFFFAOYSA-N 447.285 4.130 5 20 IIBD Cc1cc(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc(N2CCCC2)n1 589474336 RCXFRXJYDKLZHQ-UHFFFAOYSA-N 446.507 4.407 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CCN(c2cncc(F)c2)CC1 590337462 HXOQCDNZIXKRIE-UHFFFAOYSA-N 430.505 4.126 5 20 IIBD Cc1ccc(-c2nc(CCNC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])co2)cc1 608818003 RNBGOAWFYQLXSU-AWEZNQCLSA-N 429.860 4.338 5 20 IIBD O=C(Nc1nc2c(s1)C[C@H](c1ccccc1)CC2)c1cc([N+](=O)[O-])cc2c1OCCO2 608941614 UHICQUIYJPFQNN-CQSZACIVSA-N 437.477 4.347 5 20 IIBD Cn1cc(C(=O)Nc2ccc(OCc3ccncc3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 609177966 CLEAKJHYCMOGJK-UHFFFAOYSA-N 429.436 4.222 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1C(=O)O 609761123 DBBDGOFWRSXCOO-UHFFFAOYSA-N 428.422 4.195 5 20 IIBD CCOc1cc(NC(=O)CCc2nnc(-c3ccccc3)o2)c([N+](=O)[O-])cc1OCC 619212773 APFFFELOMBLVNY-UHFFFAOYSA-N 426.429 4.014 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1F 619482105 QUHSGMULKRPKBN-UHFFFAOYSA-N 430.457 4.134 5 20 IIBD CCc1cc[n+](/C(C(=S)Nc2cnn(CC)c2)=C(/O)c2ccc(C)c([N+](=O)[O-])c2)cc1 726179216 HDVRJJHYVQNFMD-UHFFFAOYSA-O 438.533 4.293 5 20 IIBD C[C@H](c1ccccc1)c1ccc(OC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)cc1 728849952 CYQCMAZGZNOXIN-OAHLLOKOSA-N 425.462 4.369 5 20 IIBD O=C(NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1cc2cc([N+](=O)[O-])ccc2o1 728965103 PHXSEFMCDMZLAZ-QGZVFWFLSA-N 428.750 4.174 5 20 IIBD CCCCN1C(=O)C[C@H](C(=O)OCc2c(F)cccc2[N+](=O)[O-])[C@@H]1c1ccc(OC)cc1 728988669 URWBXPMPCOQUOX-JTSKRJEESA-N 444.459 4.176 5 20 IIBD O=C(COc1ccccc1-c1ccccc1)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 729191725 DGISQYUHHFPFFK-UHFFFAOYSA-N 447.491 4.495 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c(N)c([N+](=O)[O-])c1 729285004 QNCPKKPIRKKPDP-CQSZACIVSA-N 441.875 4.209 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 730111837 ZDYISZZYJPTRSE-LBPRGKRZSA-N 426.901 4.405 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NCc1nc2ccc(Cl)cc2[nH]1 731903482 MOKOHEIEWZCUEU-UHFFFAOYSA-N 434.783 4.030 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCC(c2ccc(F)c(F)c2)CC1 732037020 CDCZRJCNOQJNOA-UHFFFAOYSA-N 432.395 4.253 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1ccc(Oc2ccc(Cl)nn2)cc1 733322470 BQXFMPQCCIQKCF-GFCCVEGCSA-N 443.847 4.278 5 20 IIBD C[C@@H](OC(=O)c1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(CSc2ccccn2)c1 733385892 QHDULNFZQRZXTQ-OAHLLOKOSA-N 437.477 4.466 5 20 IIBD CC(C)(C(=O)OCc1csc(-c2ccc3c(c2)OCO3)n1)c1ccc([N+](=O)[O-])cc1 740394263 CKSBSSYXJZTDOJ-UHFFFAOYSA-N 426.450 4.468 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@H](O)c2ccccc2Cl)cc1[N+](=O)[O-])c1ccccn1 740932496 JZDQSVVJNURLFI-QKKBWIMNSA-N 440.887 4.280 5 20 IIBD CS(=O)(=O)c1cccc([C@H](NCc2cc(F)ccc2[N+](=O)[O-])c2ccc(F)cc2)c1 742263154 IYQXQHPJZREFTP-OAQYLSRUSA-N 432.448 4.156 5 20 IIBD Cc1cccc([C@H]2CCCN2c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)c1C 742413210 ZFZLQQRWCLMPLO-HXUWFJFHSA-N 429.542 4.338 5 20 IIBD C[C@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 742694449 RHBCDSBPVFMVEO-MGPUTAFESA-N 425.485 4.386 5 20 IIBD O=C(Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-])[C@@H]1CCCN(C(=O)c2ccncc2)C1 744071635 MQQZMTLYNPIOSZ-HXUWFJFHSA-N 431.448 4.115 5 20 IIBD C[C@H](CC(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cccc(F)c1 746085572 LRWPANKBMDHISY-VXGBXAGGSA-N 436.823 4.167 5 20 IIBD CC[C@H](Oc1ccccc1Cl)C(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 749031328 LOZHPJOLFZOCFA-SFHVURJKSA-N 433.892 4.260 5 20 IIBD O=C(NCc1ccc(NC(=O)c2ccncc2)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 749182724 QQGVAOMVODLFHK-UHFFFAOYSA-N 425.832 4.217 5 20 IIBD CCN(C(=O)Cc1ccc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2N)cc1)c1ccccc1 749351196 AXBFRZYNGSIQNK-UHFFFAOYSA-N 432.480 4.333 5 20 IIBD CN(C)[C@H]1CCC[C@H](NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 749450932 GLWIDAFNBFTBBM-GJZGRUSLSA-N 444.919 4.103 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 749931778 WJQAQQSEAKXWST-QGZVFWFLSA-N 437.924 4.500 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)OCc2ccnc(Cl)c2)cc1[N+](=O)[O-] 750631842 UQWYBICCQIRXCN-UHFFFAOYSA-N 439.855 4.297 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 751244177 PCLMIVLMDNZHHW-UHFFFAOYSA-N 428.376 4.002 5 20 IIBD O=[N+]([O-])c1cc2c(c(CN(Cc3ccccc3)C[C@@H](O)c3cccs3)c1)OCOC2 756054849 HKDLRBZCEBMQOV-HXUWFJFHSA-N 426.494 4.259 5 20 IIBD Cc1nnc([C@H](C)N[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)s1 759887599 XDNMGEDVXCAYQH-GTNSWQLSSA-N 431.905 4.439 5 20 IIBD C[C@@H](Cc1nc(Cc2ccccc2[N+](=O)[O-])no1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 761343555 IKKNSADTUWHRHL-DOTOQJQBSA-N 430.505 4.394 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(C4CCCCCCC4)no3)C2)cc1 762359490 XKQWOGAXVSNXFA-QGZVFWFLSA-N 448.545 4.374 5 20 IIBD Cn1ccnc1COc1ccc(COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cc1 762439198 DZKXRGFWUYTJCY-UHFFFAOYSA-N 427.432 4.067 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)c1ccnn1C1CCCC1)c1cccc([N+](=O)[O-])c1 764932458 ZSTGCNSTDQOVPS-SFHVURJKSA-N 440.500 4.148 5 20 IIBD COc1cc(COC(=O)c2ccoc2COc2ccc(C=O)cc2)c([N+](=O)[O-])cc1F 766201077 KOLNAJBIKLJJPC-UHFFFAOYSA-N 429.356 4.084 5 20 IIBD Cn1ccnc1[C@H](O)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 769431535 AYDPDDFKKCECJW-HXUWFJFHSA-N 430.892 4.187 5 20 IIBD CN(CCC1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1)C(=O)OC(C)(C)C 769765794 XQPDHMVDOSCRQX-UHFFFAOYSA-N 425.913 4.357 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 770330862 MGDNJMQYNYJONP-UHFFFAOYSA-N 429.274 4.471 5 20 IIBD CC(C)(C)OC(=O)NC1(CC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CCC1 770331675 ZYHUVWMMKXJPQW-UHFFFAOYSA-N 428.283 4.133 5 20 IIBD COc1cc(/C=C(\c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)ccc1[N+](=O)[O-] 770566798 QJURIMJKPAUQOW-KGENOOAVSA-N 435.461 4.452 5 20 IIBD CNc1ccc(-c2nc(CC(=O)Nc3ccc(SC(F)F)cc3)no2)cc1[N+](=O)[O-] 770961189 WTWMWUPORKIWQM-UHFFFAOYSA-N 435.412 4.182 5 20 IIBD COc1ccc(-n2nc(C(=O)O[C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cc2C)cc1 771172587 ORJKDLJFJJSUFT-AWEZNQCLSA-N 449.423 4.066 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H](C)[C@@H](O)c2cccc(F)c2)cc1 771739775 SSFKRLIHLYSXNF-RCDICMHDSA-N 440.427 4.387 5 20 IIBD O=[N+]([O-])c1cn(CN2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)nc1-c1ccncc1 771865446 VNAZQVFPLHWGBF-ZDUSSCGKSA-N 438.435 4.166 5 20 IIBD CCOc1ccccc1-c1cccc(C(=O)OCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 772118596 CAUMUIBVYIQLNL-UHFFFAOYSA-N 434.448 4.480 5 20 IIBD CCC(=O)N1CC[C@H](C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2OCc2ccccc2)C1 772972776 WKYZWPOIIAIHFG-HNNXBMFYSA-N 431.876 4.024 5 20 IIBD O=C(NCCOC(=O)C1(Cc2cccc(F)c2)CCC1)c1ccc([N+](=O)[O-])cc1Cl 774014330 GHXBSPQWDKXFGR-UHFFFAOYSA-N 434.851 4.073 5 20 IIBD CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccc([N+](=O)[O-])cc2F)NC(=S)N1C 777943588 YHYPJSGQSOXDEF-LJQANCHMSA-N 428.489 4.124 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)CCNC(=O)c1ccc(Br)cc1 778749412 TYSRSIJKBUEEMY-CYBMUJFWSA-N 435.274 4.090 5 20 IIBD CN(C)C1CCN(c2ccc(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)cc2)CC1 780989969 IMJIVTWYAZBPFR-UHFFFAOYSA-N 440.547 4.464 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@H]3CCC(=O)[C@H](C)C3(C)C)CC2)ccc1[N+](=O)[O-] 781489262 KFFASMPRCAZVHG-MAUKXSAKSA-N 432.517 4.147 5 20 IIBD Cc1ccc(-c2nnc([C@H](C)OC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)cc1 781736144 WSHHIJIXULBDHK-ZDUSSCGKSA-N 426.385 4.098 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1I)c1nc2ccccc2o1 781817597 KTIFZBZXQIXCOY-SECBINFHSA-N 438.177 4.259 5 20 IIBD O=C(OCCCc1ccccc1Br)c1cc(O)nc2ccc([N+](=O)[O-])cc12 782665087 NONHZRIEJIXIDK-UHFFFAOYSA-N 431.242 4.401 5 20 IIBD CC(C)COc1ncc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1Cl 783276715 NUWIHEVCNFTSLK-UHFFFAOYSA-N 442.255 4.127 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])c(F)c1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 783654136 AHHKZEOFAOXGLD-LJQANCHMSA-N 426.366 4.232 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)c1 784552715 DQLXOSTUUMGWSH-RRQGHBQHSA-N 435.546 4.082 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)c2ccccc2C(F)(F)F)c([N+](=O)[O-])cc1OC 788994058 RLLRXMNEKCJZNR-SNVBAGLBSA-N 427.331 4.059 5 20 IIBD CC(C)c1c(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cnn1-c1ccc(Cl)cc1 790420784 HLWLHDJYRLVPPC-UHFFFAOYSA-N 426.907 4.420 5 20 IIBD O=C(OCc1ccccc1)[C@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1Br 791950873 CMOISDDEHUVOME-QGZVFWFLSA-N 447.285 4.095 5 20 IIBD C[C@H](c1nc2ccccc2s1)N(C)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F 795776194 OXFNOJGDJIBQPF-SECBINFHSA-N 429.882 4.379 5 20 IIBD Cc1cc(OS(=O)(=O)c2cc(Br)cnc2Cl)c(Cl)cc1[N+](=O)[O-] 796205496 NKAYYWGHFOYTER-UHFFFAOYSA-N 442.074 4.135 5 20 IIBD CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)c1cccc(Cl)c1[N+](=O)[O-] 800214473 MSPUBCGCWXJRMO-UHFFFAOYSA-N 444.702 4.334 5 20 IIBD COC(=O)[C@@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccccc1C(F)(F)F 800469500 WLBLANDAFQBFMI-INIZCTEOSA-N 429.372 4.163 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H]1C[C@H]2CCC(C)(C)c3cccc1c32 800622886 QIMFRGBKOFNBIP-CXAGYDPISA-N 425.460 4.397 5 20 IIBD CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 811214480 AJVHSEXYRZPEGG-MRXNPFEDSA-N 445.497 4.019 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)[C@@H](C)c2cccc(Br)c2)cccc1[N+](=O)[O-] 812609027 XKOIWXDQKACPRK-WCQYABFASA-N 435.274 4.340 5 20 IIBD CC(C)(CCc1noc(-c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)n1)[N+](=O)[O-] 812811562 CHINNZGSNKAJRQ-UHFFFAOYSA-N 441.231 4.125 5 20 IIBD Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)nc1 812919755 OQWYQNCCOKFISX-LBPRGKRZSA-N 437.283 4.096 5 20 IIBD O=C(O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 813173710 HEELSZNMCFUHMA-IBGZPJMESA-N 443.459 4.021 5 20 IIBD C[C@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccc(N2CCCOC2=O)cc1 814350268 OQKIMXVAWAXSNA-LBPRGKRZSA-N 448.273 4.195 5 20 IIBD O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)Oc1ccc(OCc2ccncc2)cc1 814994337 MVXHOVCVMUOVDW-UHFFFAOYSA-N 438.820 4.129 5 20 IIBD Cc1ccc2nc(C(=O)OCC(=O)Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc2c1 815395926 MEPQTEWQDHVIBR-UHFFFAOYSA-N 433.342 4.266 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1cccc(NC(=O)C2CC2)c1 864244916 UYICJMSVYGNQJE-UHFFFAOYSA-N 449.467 4.044 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C(=O)N2CCc3sccc3C2)C(C)C)c1 878282247 RQUOLFVXZKWASI-SFHVURJKSA-N 434.539 4.145 5 20 IIBD C[C@H](Cc1noc(-c2cc(C(F)(F)F)ccc2[N+](=O)[O-])n1)N(C)C(=O)OC(C)(C)C 904652679 ALBLASDWLLGEOR-SNVBAGLBSA-N 430.383 4.462 5 20 IIBD COC(=O)c1ccoc1CSc1ccccc1C(=O)Oc1ccc(OC)cc1[N+](=O)[O-] 916984479 JLXYKLNCLOZCLM-UHFFFAOYSA-N 443.433 4.495 5 20 IIBD CC(C)NC(=O)Nc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 917134651 HUQOQNBLMSRFEY-UHFFFAOYSA-N 439.516 4.045 5 20 IIBD CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2cc(Cl)cc(Cl)c2)NC(=S)N1 917879196 NPAXQTZALLEEQE-INIZCTEOSA-N 437.308 4.333 5 20 IIBD O=C(CN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] 918741180 UGRJVQQGBUBUCZ-RKDXNWHRSA-N 433.736 4.249 5 20 IIBD O=C(Cc1nc(COC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cs1)Nc1ccccc1 920527125 MPTNENLCSTWREK-UHFFFAOYSA-N 437.433 4.336 5 20 IIBD CC(C)[C@H](OC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)c1ccccc1 920779419 WURSATOQZIANIN-LIRRHRJNSA-N 434.876 4.246 5 20 IIBD CC(C)c1oc(-c2ccccc2)nc1C(=O)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1318065639 ITDDSABHHJJBLL-UHFFFAOYSA-N 449.872 4.145 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(Cn1nc(-c3cccnc3)n(Cc3ccccc3)c1=S)C2 1339604738 MZKVGUCJERLWRD-UHFFFAOYSA-N 444.520 4.406 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CCC[C@H]2CCCC[C@@H]21 1792398649 UBGKZMYGZBITEW-ZBLLQYKHSA-N 429.517 4.046 5 20 IIBD CCC(=O)N1CCC2(CCCN(C(=O)CCCc3cc(C)c(F)cc3[N+](=O)[O-])C2)CC1 1805821336 JXGFLXFWAPDZPP-UHFFFAOYSA-N 433.524 4.006 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@@H]2CCCCN2C(=O)[C@H](F)c2ccccc2)CC1 1824854532 FADHKCSGNWGIRT-GHTZIAJQSA-N 443.475 4.132 5 20 IIBD C[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)N1CCCc2ccccc21 10722804 JVOGUGCSXVNAGB-SFHVURJKSA-N 440.499 4.066 5 20 IIBD O=C(COC(=O)CCc1ncc(-c2ccccc2F)o1)Nc1ccc(Cl)cc1[N+](=O)[O-] 12273059 AVVIAGSABORWBR-UHFFFAOYSA-N 447.806 4.157 5 20 IIBD Cc1ccc(Oc2ccccc2NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)cc1 14818203 NJYINPRSQFQBSR-UHFFFAOYSA-N 426.450 4.351 5 20 IIBD COc1ccccc1NC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 15313536 YZWIVJCLWJKSAO-UHFFFAOYSA-N 436.380 4.016 5 20 IIBD CCOc1ccc(NC(=O)c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2)cc1 15313712 MEYWLLJOTAECPT-UHFFFAOYSA-N 435.436 4.263 5 20 IIBD Cc1cccc(NS(=O)(=O)c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc2C)c1 15950419 DLTKCBPEWAVBMY-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD CNC(=O)c1ccc(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)cc1 16015873 ZRMAZVUNLOLQQH-UHFFFAOYSA-N 438.871 4.472 5 20 IIBD C[C@H](OC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1OC(F)F 17048820 VUXPLUJNDFDXKM-NWDGAFQWSA-N 440.424 4.247 5 20 IIBD Cc1cccc(-c2nc(CC(=O)O[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])cs2)c1 17229842 GTARMDTZZXUSGX-AWEZNQCLSA-N 425.466 4.140 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1csc(-c2ccc(F)cc2)n1 19616872 FQJPNNBMWIAUQK-UHFFFAOYSA-N 426.385 4.264 5 20 IIBD CC(C)(C)c1ccccc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 20863899 PROMVJQMVVURGJ-UHFFFAOYSA-N 425.485 4.288 5 20 IIBD Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 24813788 VHXWLFCNWFFRAF-HZPDHXFCSA-N 438.528 4.062 5 20 IIBD CN(C)C(=O)COc1cccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c1 58445015 AVFXHXOQPXUIBY-UHFFFAOYSA-N 434.452 4.058 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)cc1C 60500032 XYEPJBUIZBINBS-UHFFFAOYSA-N 429.473 4.310 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NCCCOC1CCCC1 61257084 BRSUNICVJREYCV-UHFFFAOYSA-N 448.523 4.456 5 20 IIBD CO[C@H](C)C(=O)Nc1cccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 65071175 JSVDXXACFNFXGO-MRXNPFEDSA-N 440.500 4.057 5 20 IIBD COc1cc([N+](=O)[O-])ccc1OCC(=O)N1CCc2cc(-c3csc(C)n3)ccc21 72068011 RAIAWQVDPMAYSX-UHFFFAOYSA-N 425.466 4.003 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCC2(c3ccccc3)CCCC2)ccc1[N+](=O)[O-] 110321255 BCSNNIULEPTIMR-JOCHJYFZSA-N 435.524 4.136 5 20 IIBD O=C(NCc1ccco1)c1cccc(CNc2ccc(Br)cc2[N+](=O)[O-])c1 301104437 RSSBJZQONVQBSJ-UHFFFAOYSA-N 430.258 4.492 5 20 IIBD CC[C@@H](Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-])c1nc(C)cs1 301192667 XHACRVHMIFWRMB-MRXNPFEDSA-N 438.575 4.488 5 20 IIBD C[C@@H](CCc1ccc(Br)cc1)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] 301930157 KJPMGIJRZKQTHB-JTQLQIEISA-N 433.349 4.256 5 20 IIBD CC(=O)N(c1nc(COc2ccc([N+](=O)[O-])c(CO)c2)cs1)c1cccc(C)c1C 428099845 NTHNOBSWSQRXHH-UHFFFAOYSA-N 427.482 4.424 5 20 IIBD CC(C)(C(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccccc1[N+](=O)[O-] 431325711 JKYKUILNLBEZNX-UHFFFAOYSA-N 425.466 4.406 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NCCC1CC(O)C1 432472265 DYSPATNGPGLXSH-GZTJUZNOSA-N 437.521 4.412 5 20 IIBD Cc1c(NC(=O)NCc2ccc(Cn3ccnc3)cc2)cc(Br)cc1[N+](=O)[O-] 435330411 SMOXFHWMTCVNEO-UHFFFAOYSA-N 444.289 4.232 5 20 IIBD Cc1cc(OCC(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)ccc1[N+](=O)[O-] 435530327 WBZBNEOILIZBTI-UHFFFAOYSA-N 429.860 4.483 5 20 IIBD O=C(NCc1ccc(CN2CCCC2)cc1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 435834531 JYVSJKRBZVUONJ-UHFFFAOYSA-N 429.495 4.346 5 20 IIBD Cc1cc(C)n(-c2ccc(CCNC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)cc2)n1 436111688 FJWUDCFXOAGXGH-UHFFFAOYSA-N 436.515 4.456 5 20 IIBD O=C(CCc1ccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1)N1CCCC1 437384615 NKKATEZBGLRSCA-UHFFFAOYSA-N 436.512 4.346 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 438322232 UJHSZENALHPNNP-MQMHXKEQSA-N 433.390 4.235 5 20 IIBD COc1cc(OC)c2cc(CCCNC(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)[nH]c2c1 440947376 CJHDNPNQIMUHRZ-OAHLLOKOSA-N 440.500 4.395 5 20 IIBD CCOc1cc(NC(=O)C(=O)Nc2ccc(C3CC3)c(C)c2)c([N+](=O)[O-])cc1OCC 441772338 DPFRLALGWSEOBX-UHFFFAOYSA-N 427.457 4.155 5 20 IIBD O=C(NC1CCC2(CCOCC2)CC1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444230846 BQINZNWTECAEQC-UHFFFAOYSA-N 426.463 4.429 5 20 IIBD C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 444413420 SYZBCWSADYOLLD-VBKZILBWSA-N 426.860 4.036 5 20 IIBD Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)c12 444643665 KVIRDRISHFIQBE-UHFFFAOYSA-N 446.398 4.052 5 20 IIBD CN(CC1(N(C)C)CCC1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 445847727 DRKUJGCMBPRRQI-HXUWFJFHSA-N 430.936 4.344 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 445993170 DGAZIVCZRJWNAV-NVXWUHKLSA-N 437.418 4.487 5 20 IIBD CCN(CC(=O)Nc1c(C)cccc1C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br 446043635 SGHDVUSGARDNGQ-UHFFFAOYSA-N 448.317 4.004 5 20 IIBD O=C(NCC1(CO)CC(c2ccccc2)C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 447628232 GPNONPXUYJZCOX-UHFFFAOYSA-N 430.479 4.107 5 20 IIBD COCCCCc1cccnc1NCc1cc(I)cc([N+](=O)[O-])c1 461208306 RUOZTKVQBURVAZ-UHFFFAOYSA-N 441.269 4.176 5 20 IIBD Cc1nc2ccccc2c2c(NC(=O)c3cn(CC(=O)C(C)(C)C)nn3)c3ccccc3n12 462122672 SWRWMKXEPBLTEG-UHFFFAOYSA-N 440.507 4.408 5 20 IIBD COc1cc(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)cc([N+](=O)[O-])c1OC 462366775 ALQAHNWOCNZRMK-NNUKFRKNSA-N 435.274 4.051 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 462437849 BMVQITIPTWSHEZ-AVRDEDQJSA-N 445.947 4.007 5 20 IIBD O=[N+]([O-])c1ccc(Sc2ccc(Cl)c(Cl)c2)c(S(=O)(=O)N2CCOCC2)c1 463077962 MSYDINMQVTXXIB-UHFFFAOYSA-N 449.337 4.074 5 20 IIBD O=C(CCC1CCCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 463280177 BVTGAZHJWMIARD-UHFFFAOYSA-N 441.450 4.259 5 20 IIBD O=C(c1cccc2cnccc12)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 465051115 ZANLEYSVSNPKSB-UHFFFAOYSA-N 430.386 4.124 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1 466516545 GEADATQNAVQXOZ-UHFFFAOYSA-N 444.447 4.253 5 20 IIBD CC(C)c1nc2ccc(NC(=O)C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)cc2s1 467876294 FTAQAUZXPUOXAC-UHFFFAOYSA-N 432.889 4.236 5 20 IIBD O=C(Nc1cc(F)cc(F)c1Br)C1CCN(c2ccccc2[N+](=O)[O-])CC1 468275052 UQOCJRZEXQPYOY-UHFFFAOYSA-N 440.244 4.491 5 20 IIBD CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@@H](CC)Nc1c([N+](=O)[O-])c(C)nn1C 469342286 HHOQTWCGLOZKGX-GOEBONIOSA-N 442.347 4.272 5 20 IIBD CCOc1cc(C(=O)NCc2ccnc(Oc3ccccc3F)c2)c([N+](=O)[O-])cc1OC 470557613 WQZGFLRUMVLYOI-UHFFFAOYSA-N 441.415 4.259 5 20 IIBD Cc1cc(C)n(-c2ccccc2CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)n1 473774523 SPPDKBGYFUQGBX-UHFFFAOYSA-N 431.399 4.320 5 20 IIBD Cc1nc2cc(F)c(F)cc2n1CC(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 475933161 ZIJKBKBEGMWNRG-UHFFFAOYSA-N 442.344 4.122 5 20 IIBD COc1cc(C(C)=O)c(OC)cc1OCc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] 477336587 LJTDNZRYMXZZQU-UHFFFAOYSA-N 427.356 4.004 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 478243102 YMXSAYCKKPDYRA-LSDHHAIUSA-N 426.803 4.291 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3C[C@@H](C)O[C@]4(CCOC4)C3)cc2[N+](=O)[O-])cc1 478420227 CKGILKYSIYEROK-OPAMFIHVSA-N 428.510 4.074 5 20 IIBD C[C@@H](CC[S@](C)=O)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 479899235 IKFRTTXIVCDPAS-JWNZJDHWSA-N 426.947 4.286 5 20 IIBD Cc1cc(CN(CC(C)C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nc(N2CCCCC2)n1 481260813 YQYLJUJVOZQEMV-UHFFFAOYSA-N 426.521 4.374 5 20 IIBD Cc1ccc(-n2cnc3c2CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C3)cc1 490344775 QBGIVZYKKVFPEE-UHFFFAOYSA-N 442.928 4.419 5 20 IIBD O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)NCc1ccc(F)cc1C(F)(F)F 490838454 BCBLMDSKOAICMB-UHFFFAOYSA-N 425.382 4.034 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccccc2N(C)Cc2ccccc2)cc1[N+](=O)[O-] 493990581 CGTBKWMSGRYJBP-SFHVURJKSA-N 446.507 4.356 5 20 IIBD Cc1nncn1-c1cccc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 497418540 QTXAJPJVJZMAKL-UHFFFAOYSA-N 428.452 4.348 5 20 IIBD COc1cc(CN(C)C(=O)c2ccc([N+](=O)[O-])c3cccnc23)c(SC)cc1OC 498149357 IYQKNLYPQCVCGL-UHFFFAOYSA-N 427.482 4.154 5 20 IIBD O=C(Nc1cc(Cl)ccc1C(F)(F)F)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 500254630 ROMJKZZEDJKBDT-UHFFFAOYSA-N 441.793 4.397 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1cc(Cl)ccc1N1CCSCC1 500338101 BMGMRYQHOUZOGC-UHFFFAOYSA-N 448.353 4.256 5 20 IIBD CCOCCOCc1cccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 502719734 FPKLCTQTTOSCBT-UHFFFAOYSA-N 430.504 4.347 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(O[C@H]3CCCC[C@H]3O)cc2)cc1SC 505225658 SSTJTJMYLINPMH-MSOLQXFVSA-N 432.498 4.260 5 20 IIBD COc1ccc(-c2ccc(CN3CCCN(C(=O)c4ccccc4)CC3)o2)c([N+](=O)[O-])c1 508042364 QAHPCFJHFITUDP-UHFFFAOYSA-N 435.480 4.212 5 20 IIBD CC[C@H](NCc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1OCC(=O)N1CCCC1 508966444 JWMAIFNQJNNTNB-FQEVSTJZSA-N 433.455 4.115 5 20 IIBD COc1cc(Br)c(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1OC 509402924 NHJRCIQJULQDLQ-UHFFFAOYSA-N 436.262 4.201 5 20 IIBD O=[N+]([O-])c1ccc(N[C@@H](c2ccc(F)cc2)C2CCC2)c(S(=O)(=O)N2CCCC2)c1 511383739 YAMBSJHMYUNLAH-OAQYLSRUSA-N 433.505 4.472 5 20 IIBD COc1cc(C(=O)N(C)[C@H](C)c2ccccc2)c([N+](=O)[O-])cc1OCc1cscn1 512600491 WGXOGRPWNXYJQT-CQSZACIVSA-N 427.482 4.472 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(Oc3ccccc3Cl)CC2)c(Cl)c1 513832078 CODQZSJCOIYQCT-UHFFFAOYSA-N 431.297 4.134 5 20 IIBD CN1CCC(Oc2ccc(NCc3csc(-c4cccc([N+](=O)[O-])c4)n3)cn2)CC1 514076210 UFUPXYXSHMDJAF-UHFFFAOYSA-N 425.514 4.198 5 20 IIBD O=c1c2ccc([N+](=O)[O-])cc2ncn1Cc1csc(-c2ccc(Br)cc2)n1 514494120 ACDVJDAHPBTAJL-UHFFFAOYSA-N 443.282 4.239 5 20 IIBD COc1c(Br)cc(Cl)cc1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 514524850 ZUCYYSXSNXGESY-UHFFFAOYSA-N 440.681 4.021 5 20 IIBD Cc1ccc(C)c(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)c1 514590708 WYMRMDYRFUKRMM-UHFFFAOYSA-N 428.470 4.213 5 20 IIBD Cc1c(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)cnn1-c1cccc(Cl)c1 514748998 DCDZBMUIKPKHPL-UHFFFAOYSA-N 428.832 4.156 5 20 IIBD CC(C)CNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1Cl 515650906 YTOWVRVAHKNCMU-UHFFFAOYSA-N 446.312 4.088 5 20 IIBD C[C@@H](C(=O)Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1)c1cccc([N+](=O)[O-])c1 515728742 TXKCHSKBYHONAW-QGZVFWFLSA-N 442.479 4.233 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2c2nc(Cc3ccc(F)c(F)c3)no2)ccc1[N+](=O)[O-] 517261739 CSESYTUQTWRUHL-SFHVURJKSA-N 428.395 4.133 5 20 IIBD O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H]1c1ccc(Br)cc1 517578893 BQRNDSUKBQELSB-SJORKVTESA-N 427.258 4.285 5 20 IIBD CC1CCN(c2ccc(C(=O)NCc3ccc(-n4ccnc4)c(F)c3)cc2[N+](=O)[O-])CC1 517891163 ICRZMTHOFLXASL-UHFFFAOYSA-N 437.475 4.086 5 20 IIBD CN(C(=O)c1cccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1)c1ccccc1 517912451 KZBKHGZBGKUDNV-UHFFFAOYSA-N 445.884 4.326 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 518389105 DDLKBAXJTOZWOT-CYBMUJFWSA-N 449.305 4.014 5 20 IIBD O=C(NCc1ccc(Br)cc1Cl)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 520683932 AZWJRRRQXQWZNJ-UHFFFAOYSA-N 435.665 4.126 5 20 IIBD CCCOc1ccc(CN(CCC)S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1OC 521159535 ZMFUQBCAUDFOKQ-UHFFFAOYSA-N 440.493 4.132 5 20 IIBD COc1cc(CNC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)ccc1OC1CCCC1 522068297 JTWXNGHXGRSAPX-UHFFFAOYSA-N 437.452 4.109 5 20 IIBD COc1ccc(CCN(CC(C)C)C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1OC 522345649 FLGVQZDMAGBUGR-UHFFFAOYSA-N 425.485 4.434 5 20 IIBD COc1ccc([C@@H](NC(=O)c2c([N+](=O)[O-])c(C)nn2C)c2ccccc2Cl)c(C)c1 525729402 ABGJAZBLVUTBIB-GOSISDBHSA-N 428.876 4.127 5 20 IIBD CCN([C@@H](c1cccnc1)c1ccc(F)c(C)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 531189962 HJYUPHNUJSWXER-OAQYLSRUSA-N 429.473 4.238 5 20 IIBD O=[N+]([O-])c1ccccc1/C=C\CNCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 537224238 LUMHGJNLCHWJML-HYXAFXHYSA-N 447.514 4.259 5 20 IIBD Cc1cc(F)c(NC(=O)CCOc2ccccc2[N+](=O)[O-])c(I)c1 537804233 XPRUHRQJSHOABH-UHFFFAOYSA-N 444.200 4.055 5 20 IIBD Cc1ccc([C@H](C)N[C@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1[N+](=O)[O-] 539122805 XWFHDKPQKYRRFZ-MSOLQXFVSA-N 431.558 4.490 5 20 IIBD Cc1ccc(CN2CCOCC2)cc1NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 539431458 JBEBUKSWNLHFFW-UHFFFAOYSA-N 432.480 4.050 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC1CCN(CCc2ccccc2)CC1 543153709 OTPBYWHEWXGENS-UHFFFAOYSA-N 433.961 4.164 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1OCCc1nc(-c2cncc(Br)c2)no1 545036168 MHVOFVZJHSLDLN-UHFFFAOYSA-N 425.626 4.077 5 20 IIBD CCOC(=O)c1cc(-c2nc(-c3ccc(Br)cc3OC)no2)cc([N+](=O)[O-])c1 545073233 GFFZHUMRAYGRDU-UHFFFAOYSA-N 448.229 4.260 5 20 IIBD CC(=O)Nc1ccc(S[C@H](C)c2nc(CCNc3ccccc3[N+](=O)[O-])no2)cc1 545674525 QZZYHNSITFFBCR-CYBMUJFWSA-N 427.486 4.444 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 553040338 ABWCRTJWGSBRQR-CEXWTWQISA-N 431.286 4.002 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1 554679358 WNASXWUGGLSZSA-UHFFFAOYSA-N 434.489 4.466 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2c2nc(Cc3ccc4c(c3)CCC4)no2)ccc1[N+](=O)[O-] 554826938 XYVOGQRMQCQDSN-OAQYLSRUSA-N 432.480 4.343 5 20 IIBD COc1ccc(Sc2nsc(NC(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)n2)cc1 554921194 LMVLBFADKLKCKO-UHFFFAOYSA-N 443.510 4.196 5 20 IIBD COC(=O)c1nc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)sc1C1CC1 556439000 QSXROZVBVNUUPP-UHFFFAOYSA-N 440.275 4.039 5 20 IIBD COc1cc(C(=O)N2CC[C@H](Oc3ccc(Cl)cc3)C2)c([N+](=O)[O-])cc1OC(F)F 557900970 FLAXIUKYCQCXCE-ZDUSSCGKSA-N 442.802 4.152 5 20 IIBD COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1OC[C@@H](O)Cc1ccc(C(F)(F)F)cc1 559282680 RFLIJQUKBHCUKN-ZDUSSCGKSA-N 433.766 4.036 5 20 IIBD COc1cc(CNc2ccc(C(=O)N3CCc4ccccc43)cc2)c([N+](=O)[O-])cc1OC 560274845 MOCFRNFIHKGYQP-UHFFFAOYSA-N 433.464 4.427 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 560720872 VLOGSZPRFVJLTE-UHFFFAOYSA-N 433.493 4.219 5 20 IIBD O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 563758739 BYIOZICITHHWCO-VQTJNVASSA-N 428.876 4.101 5 20 IIBD COc1ccc(-c2nc(Cc3cccc([N+](=O)[O-])c3C)no2)c(OCCOC(C)C)c1 564268941 IPIIQZWJKNDIJG-UHFFFAOYSA-N 427.457 4.356 5 20 IIBD C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 580789406 UDUITGPYWUHTHI-XIKOKIGWSA-N 426.300 4.332 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=O)c2cc3c(Cl)cccc3s2)CC1 603642090 AFIMIMKCFXWCDA-UHFFFAOYSA-N 435.914 4.123 5 20 IIBD O=C(NCc1cccc(NC(=O)C2CCC2)c1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 603829813 MIJCZNHEFWNFND-UHFFFAOYSA-N 434.399 4.257 5 20 IIBD COCCOc1ccc(CNC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1 603880574 PSKVGLJWJFCBMY-HDICACEKSA-N 441.528 4.032 5 20 IIBD COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2ccc([N+](=O)[O-])cc2)c1 603999383 ZBPZJXPDDPFIGU-UHFFFAOYSA-N 428.448 4.386 5 20 IIBD COc1ccc([C@@H]2CCCN2C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 604446890 HMZBDJUDPXUANY-GUYCJALGSA-N 434.876 4.396 5 20 IIBD CC[C@@H]1CCc2nc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)sc2C1 608804740 GVUUDUMQMNWSQV-KDOFPFPSSA-N 442.541 4.118 5 20 IIBD COc1ccc(CC(=O)Nc2ccc(Br)cc2Br)cc1[N+](=O)[O-] 609009498 WSMAKFBRBPXCFY-UHFFFAOYSA-N 444.079 4.310 5 20 IIBD CCCc1[nH]nc(C(=O)NCc2ccccc2-c2ccc(Cn3cccn3)cc2)c1[N+](=O)[O-] 609476972 OGNUSHZMTWPAGO-UHFFFAOYSA-N 444.495 4.112 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1 609697796 QLPSIVFPQMSNSB-UHFFFAOYSA-N 446.250 4.125 5 20 IIBD C[C@@H](SCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(=O)Nc1ccccc1Cl 609770569 BFYHFCJPZPCBHQ-GFCCVEGCSA-N 435.889 4.307 5 20 IIBD O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccc([N+](=O)[O-])cc1Br 610042178 IQXLCGZJORWTQG-MRXNPFEDSA-N 431.246 4.337 5 20 IIBD O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc(Sc2ccccc2Cl)nn1 610210737 PQWGPKUFUNBWPL-UHFFFAOYSA-N 429.889 4.031 5 20 IIBD CCOC(=O)C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(OC)c1 610387861 UOVFDDJFLDWCSA-INIZCTEOSA-N 440.374 4.047 5 20 IIBD CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 617402863 BONQNSKHSJTMJQ-NRFANRHFSA-N 440.496 4.193 5 20 IIBD C[C@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(OCC(F)(F)F)cc1 725827557 UPASTVRPAONZEH-JTQLQIEISA-N 438.811 4.229 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(CC[C@@H](O)c2ccccc2)c1 727363648 YGDQVQQQCZQCAJ-HXUWFJFHSA-N 442.493 4.070 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 728165951 SOFBANXAGYIENO-UHFFFAOYSA-N 441.831 4.399 5 20 IIBD C/C=C/c1ccc(OS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c(OC)c1 728578171 ZVXDDXHETJPUCC-ONEGZZNKSA-N 428.260 4.167 5 20 IIBD Cc1ccc2oc(C(=O)N3CCCC[C@H]3CCOC(=O)c3cccc([N+](=O)[O-])c3)cc2n1 729325083 NTAZYKNGRRWGDE-KRWDZBQOSA-N 437.452 4.286 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F 729654554 CEFKBQBQUJWFDB-UHFFFAOYSA-N 443.382 4.104 5 20 IIBD CCCOc1ccc(CNc2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])cn1 730806994 VUPDCWJEGZDBGM-UHFFFAOYSA-N 441.238 4.070 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 731783568 PPLWZJDXTDWCQD-UHFFFAOYSA-N 425.894 4.048 5 20 IIBD COc1ccc(Cc2nnc(Sc3nc4ccc([N+](=O)[O-])cc4s3)o2)cc1OC 735301370 BQQCYOPBXKWIGT-UHFFFAOYSA-N 430.467 4.347 5 20 IIBD CCCN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)[C@H]1C[C@@H](OCC)C12CCCC2 740803688 RHDBFJXZUGTBPO-FCHUYYIVSA-N 445.560 4.021 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 742998372 SJFRAAYIAFXIPA-FQEVSTJZSA-N 428.441 4.166 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 744285583 JUJKLUKYRUCOTP-APWZRJJASA-N 433.505 4.045 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1cc(F)c(F)cc1I 744381199 PDMCLSNAAJGLPB-UTCJRWHESA-N 430.148 4.130 5 20 IIBD C[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NCc1ccccc1Cl 745565613 UEMHDJIHTMEABK-SNVBAGLBSA-N 430.766 4.129 5 20 IIBD CN(CC(=O)OCC(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1[N+](=O)[O-] 745615578 MINZZEVCPOPUIS-UHFFFAOYSA-N 435.436 4.005 5 20 IIBD C[C@H](OC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)N(C)C 745962123 MKIRGPMXVKLJOV-NSHDSACASA-N 442.415 4.398 5 20 IIBD CC(C)Nc1ccc(Br)cc1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 746332272 DZORVYDIMHDRGE-UHFFFAOYSA-N 426.242 4.334 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCC[C@@H](c2nc3ccccc3s2)C1 746715084 BNESFAPNTJVNLL-GFCCVEGCSA-N 442.453 4.283 5 20 IIBD CCOc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 747125568 ZJLOARJLOKBTKJ-LLVKDONJSA-N 426.347 4.196 5 20 IIBD Cc1ccc(N2CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)[C@H](C)C2)cc1C 747898863 YWVPHARYDWTCTK-HXUWFJFHSA-N 436.556 4.165 5 20 IIBD CC(C)[C@@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)N1C[C@@H](C)C[C@@H](C)C1 747957722 RGNBDUDCTGCCHI-ZRGWGRIASA-N 445.541 4.404 5 20 IIBD O=c1c2ccccc2nc(SC[C@@H](O)c2cccc([N+](=O)[O-])c2)n1Cc1ccccc1 749642543 WMDPUXMJUKUWIP-OAQYLSRUSA-N 433.489 4.179 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(Cc2ccccc2)C[C@H](O)c2ccsc2)c1C 751495445 SQIRXYQTGVYTEX-FQEVSTJZSA-N 446.550 4.198 5 20 IIBD COc1ccc(CSCC(=O)N2CCCCC[C@H]2C[C@H](O)c2ccco2)cc1[N+](=O)[O-] 752109225 VWVOKRHNJKPSQO-HKUYNNGSSA-N 448.541 4.325 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc2c1CCN2C(=O)OC(C)(C)C 753983633 MIKXJBDFTQODFY-UHFFFAOYSA-N 433.486 4.002 5 20 IIBD O=C(c1ccccc1)c1ccc(N2CCOC[C@H]2C[C@@H](O)c2cccs2)c([N+](=O)[O-])c1 754023871 JINGAHBNVSVAFF-WIYYLYMNSA-N 438.505 4.216 5 20 IIBD C[C@H](C(=O)Nc1ccc(N2CCC(CN(C)C)CC2)cc1)c1ccc([N+](=O)[O-])cc1F 754297076 GPBGNHMMZNPGKD-INIZCTEOSA-N 428.508 4.254 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)cc1[N+](=O)[O-] 755871224 JSTGCSQMXSBUIF-LJQANCHMSA-N 441.465 4.249 5 20 IIBD C[C@H](OC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 756750234 MJGQAPLJQKKOBT-BJOHPYRUSA-N 438.223 4.289 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)NCc3cc([N+](=O)[O-])ccc3Cl)cc2F)C[C@@H](C)O1 756816088 TYCXBJUXXXSGMQ-BETUJISGSA-N 436.871 4.323 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1ccccc1COc1ccccc1 757272352 QBPNGLNVPZSCQW-UHFFFAOYSA-N 439.855 4.082 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 758342963 CRSBFFNCVXVQLK-GOSISDBHSA-N 436.484 4.377 5 20 IIBD O=C(COC(=O)c1cc(Br)c(F)cc1F)Nc1ccc(Cl)c([N+](=O)[O-])c1 759030749 MEFNDUYVBACUHO-UHFFFAOYSA-N 449.591 4.084 5 20 IIBD O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NC[C@@H](O)c1cccc(OCc2ccccc2)c1 760493912 URQWPZRMANGCPT-XMMPIXPASA-N 447.491 4.212 5 20 IIBD O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760521881 JYLYAGUBKNNQGL-UHFFFAOYSA-N 447.234 4.490 5 20 IIBD O=[N+]([O-])c1ccc(OCc2nc(Cc3ccc(F)c(Br)c3)no2)cc1F 761788995 AGFQRZDBTNGORH-UHFFFAOYSA-N 426.173 4.188 5 20 IIBD C[C@@H](Nc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)cc1[N+](=O)[O-])c1ccccn1 762324894 PWZOLFNCPHHCCJ-CYBMUJFWSA-N 447.411 4.107 5 20 IIBD CCN(CC1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1)C(=O)OC(C)(C)C 762986720 CDYYCBUMNPQYRH-UHFFFAOYSA-N 430.505 4.185 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 763091587 UIBPEKPAULITNR-QGOOBGLHSA-N 430.501 4.470 5 20 IIBD COC(=O)c1ccc(OC(=O)CCC(=O)c2cc(Cl)sc2Cl)cc1[N+](=O)[O-] 764860641 HBCWGSKWKCGNGU-UHFFFAOYSA-N 432.237 4.318 5 20 IIBD CN(Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H](CO)c1cccc(Br)c1 769528025 LFEVVTGGQDVRFV-INIZCTEOSA-N 444.123 4.285 5 20 IIBD COc1ccccc1[C@H](CNC(=O)c1ccc(Br)c([N+](=O)[O-])c1)OC(C)C 770084713 NTYYISBFEPRXPK-SFHVURJKSA-N 437.290 4.262 5 20 IIBD O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1Cc2cccc(Br)c2C1 770142568 BJCCCEKMOLTAJB-UHFFFAOYSA-N 426.064 4.276 5 20 IIBD CCc1nc(C(=O)O[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)co1 772383093 ILXYYSPUGDYLRX-GOSISDBHSA-N 429.816 4.335 5 20 IIBD COCCc1nc(C)c([C@H](C)OC(=O)c2ccc(Br)cc2[N+](=O)[O-])s1 773914049 KZFNEEKCMSJNIL-JTQLQIEISA-N 429.292 4.229 5 20 IIBD CCN(CC)C(=O)COc1ccc(N[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1Cl 774280046 BJFAYEQBHQVUFB-ROUUACIJSA-N 449.939 4.288 5 20 IIBD Cc1nc(CCC(=O)O[C@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])cs1 774374025 VIGNVQAGWZGTTG-MRXNPFEDSA-N 427.320 4.486 5 20 IIBD C[C@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cc(F)ccc1N1CCC(O)CC1 775356814 SWUPOKFXHNDKEC-HNNXBMFYSA-N 440.475 4.201 5 20 IIBD O=C(O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1ccc(C(=O)c2cc[nH]c2)cc1 776136575 VUUKGJFVEOLJPT-QHCPKHFHSA-N 427.416 4.495 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc(C)n(-c3cccc(Cl)c3)n2)cccc1[N+](=O)[O-] 777154200 HRHGYFIHJQWUKD-CQSZACIVSA-N 442.859 4.235 5 20 IIBD O=C(Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 777924436 QHTJZUXCJGZLSN-UHFFFAOYSA-N 445.401 4.449 5 20 IIBD C[C@H](OC(=O)c1c(N)cccc1[N+](=O)[O-])C(=O)Nc1c(Cl)cc(Cl)cc1Cl 778141215 PQSHOUZTOZVJPT-ZETCQYMHSA-N 432.647 4.321 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc(Cl)n1 778568417 XSYIYTFTTVFAOQ-NSHDSACASA-N 446.872 4.259 5 20 IIBD COc1cc(CNc2ccc(N3CCOC[C@H]3C)cc2)c([N+](=O)[O-])cc1OCC(F)F 779048843 YXHYNYXYLVYJGQ-CQSZACIVSA-N 437.443 4.085 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCNc1ccc(C(F)(F)F)cn1 780358761 QBWHNCRQZITATH-UHFFFAOYSA-N 428.436 4.353 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2c(cccc2N2CCOC2=O)C1 780587074 SPQRXJLBORXALC-UHFFFAOYSA-N 441.509 4.252 5 20 IIBD O=C(OCc1ccccc1)[C@@H]1CCCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 780643435 VWPFOOQCZPGGHB-QHCPKHFHSA-N 426.472 4.029 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2c[nH]nc2-c2cc3ccccc3o2)cccc1[N+](=O)[O-] 781307890 IRDHSSYXDNOGAY-ZDUSSCGKSA-N 434.408 4.224 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1nnc(-c2ccc(Cl)cc2)s1 781738059 ZJHNRIGGCUZITQ-UHFFFAOYSA-N 433.833 4.246 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCCCc2c(Br)cccc21 783951123 LSKNGJLEBLAMCC-UHFFFAOYSA-N 429.267 4.028 5 20 IIBD Cn1cc(-c2ccc(F)c(C(=O)O[C@@H]3CCCN(c4ccc(F)cc4[N+](=O)[O-])C3)c2)cn1 787033476 VJOPZCFLJTZVSV-QGZVFWFLSA-N 442.422 4.099 5 20 IIBD Cc1cc(CSc2ccccc2C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)on1 787509633 QOTCYNLKZKHPAY-UHFFFAOYSA-N 425.466 4.087 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 787675402 WSSQSPQWIAEWGY-UHFFFAOYSA-N 447.447 4.294 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCc1cccc(OCc2ccccn2)c1 790541822 IYNRPWGRPDWLIU-UHFFFAOYSA-N 429.835 4.220 5 20 IIBD O=C(COc1ccccc1Cc1ccccc1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 791163433 GFQCVHVKDQYCGL-UHFFFAOYSA-N 435.432 4.174 5 20 IIBD O=C(N[C@H]1CCc2nc(C3CCCCC3)[nH]c2C1)c1cc([N+](=O)[O-])ccc1N1CCCC1 791271485 IYGQYDGUHDRNOB-KRWDZBQOSA-N 437.544 4.253 5 20 IIBD Cc1nc2ccccc2n1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 794039953 BQOVLKHAHWDERA-UHFFFAOYSA-N 433.512 4.330 5 20 IIBD C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N2CCCNC2=O)cc1 794929281 JXPCZIMFSXHWMY-CYBMUJFWSA-N 448.932 4.137 5 20 IIBD CC(=O)c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])c(Br)cc2C)c(Cl)c1 799799950 WVXCSYNCGNDATB-UHFFFAOYSA-N 448.678 4.289 5 20 IIBD Cc1ccc(NC(=O)N2CCN(Cc3ccc(Br)c([N+](=O)[O-])c3)CC2)cc1 801526464 QEXHPTCNZDDWGD-UHFFFAOYSA-N 433.306 4.015 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811217086 QJCPPZXYEPJTMD-IAGOWNOFSA-N 447.513 4.455 5 20 IIBD C[C@@H](OC(=O)[C@@H]1CCN(c2ccccc2Cl)C1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 811417272 RRHVGHIWFGDBFA-UKRRQHHQSA-N 442.859 4.429 5 20 IIBD Cc1cc(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])nn1C1CCCCC1 811718130 ARSOGXHEACIIFP-UHFFFAOYSA-N 443.323 4.168 5 20 IIBD O=C(Nc1cc(-n2nnnc2C2CC2)ccc1F)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813018840 JRCAZOIBGVRERA-UHFFFAOYSA-N 437.218 4.146 5 20 IIBD CC(C)(C)OC(=O)N1CCOc2ccc(NC(=O)NCc3cccc([N+](=O)[O-])c3)cc2C1 813021943 JTLVGHNBIJPJCZ-UHFFFAOYSA-N 442.472 4.046 5 20 IIBD O=C1O[C@@]2(CCCc3ccccc32)C(=O)N1Cc1ccc(Br)c([N+](=O)[O-])c1 814266050 VJWPTPIOVOEAKO-LJQANCHMSA-N 431.242 4.068 5 20 IIBD CN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] 814977576 TZRQDVGTJQJODD-UHFFFAOYSA-N 426.775 4.227 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 815789048 UHJXOCJZAKKIQL-OLZOCXBDSA-N 445.438 4.379 5 20 IIBD O=C(c1ccc(OC(F)F)c(F)c1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 816603542 KMCALXWMVHVLTA-UHFFFAOYSA-N 445.191 4.296 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1ccc(NC(=O)C2CC2)cc1 864244580 CUDOSWSYUMHMAM-UHFFFAOYSA-N 449.467 4.044 5 20 IIBD CC(C)[C@@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc2ncccc12 876231967 RLSJFTFXCFIKOA-OAQYLSRUSA-N 439.493 4.442 5 20 IIBD Cc1ccc([C@@H](C)N(C)S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c(C)c1 918195057 SQFRPTLFDYDQOU-CYBMUJFWSA-N 427.320 4.356 5 20 IIBD COc1ccc(C(=O)OCC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)cc1[N+](=O)[O-] 918876065 NDOPLVUHNPEQFY-QGZVFWFLSA-N 432.448 4.193 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)O[C@@H](C(=O)Nc2ccccc2Cl)C(C)C)cc1[N+](=O)[O-] 919226922 KSEOTEAWNUBGNJ-QGZVFWFLSA-N 435.820 4.285 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)CSc2ccc(C(C)C)cc2)c([N+](=O)[O-])c1 919319686 OQWNIRDIPOHXLE-CQSZACIVSA-N 432.498 4.389 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cccc3ccc(N4CCCCC4)nc23)c(F)c1 920352266 IFTHOPOMQBULLY-UHFFFAOYSA-N 431.445 4.040 5 20 IIBD COc1ccc(CNc2cnn(Cc3cccnc3)c2)cc1OCc1ccc([N+](=O)[O-])cc1 1116017648 SVDBIDMROZEXTH-UHFFFAOYSA-N 445.479 4.434 5 20 IIBD COC(=O)c1cc(N2Cc3ccc([N+](=O)[O-])cc3C2)c2cc(Br)ccc2n1 1252165069 WQWOVZYTPFGOEL-UHFFFAOYSA-N 428.242 4.212 5 20 IIBD Cc1nnc(O)c(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c1C 1319944236 HCHPWUPDHXSTOV-UHFFFAOYSA-N 433.262 4.020 5 20 IIBD O=C(NC1CC1)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 1320984154 ZPMQENPCKSMPEC-MRXNPFEDSA-N 431.558 4.008 5 20 IIBD C[C@@]1(c2cc3ccccc3o2)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2Br)C1=O 1324141112 VZMPUYFBERTPNV-IBGZPJMESA-N 444.241 4.071 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(C)c([N+](=O)[O-])c4)CCC3)cc2)on1 1787402434 TYHSRAAZLZTJOH-UHFFFAOYSA-N 448.479 4.190 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC1(c2ccc(NC(=O)C3CCC3)cc2)CCC1 1787608023 ZHFMKQMXSXUXDB-UHFFFAOYSA-N 436.512 4.209 5 20 IIBD O=C(CC(F)(F)F)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3F)CCC2)cc1 1787876729 SVYOVQSFIODNFT-UHFFFAOYSA-N 439.365 4.434 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)CCc4ccoc4)cc3)CCC2)ncc1[N+](=O)[O-] 1791952249 BPIWVNYLDDMDQM-UHFFFAOYSA-N 448.479 4.272 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])[nH]n1)C1CCCCC1 1816708824 NIAWUDVZEUDIIE-SFHVURJKSA-N 443.479 4.343 5 20 IIBD O=C(COC(=O)CCNc1ccccc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1Cl 11310754 QEQZOZFHHLYISD-UHFFFAOYSA-N 445.781 4.251 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccccc1OC(F)(F)F 14809679 OGRFBPUFHHFKDB-UHFFFAOYSA-N 426.394 4.370 5 20 IIBD O=C(NCc1ccc(N2CCCC2=O)cc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 16514172 KDTXLXPLOPDMGX-UHFFFAOYSA-N 444.491 4.264 5 20 IIBD CCn1c(SCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)nnc1-c1ccc(Cl)cc1 16803814 PZSLIHDXEUVPFC-UHFFFAOYSA-N 443.916 4.208 5 20 IIBD CCn1c2ccccc2c2cc(NC(=O)Cn3cnc4ccc([N+](=O)[O-])cc4c3=O)ccc21 17479081 BVKCXBMNLQIIRK-UHFFFAOYSA-N 441.447 4.071 5 20 IIBD CCn1c(/C(Cl)=C/c2ccc(C)c([N+](=O)[O-])c2)nc2cc(S(=O)(=O)N(C)C)ccc21 18064537 BAZOIMVTGXQRQE-YBEGLDIGSA-N 448.932 4.260 5 20 IIBD O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCN(Cc2ccc(Br)s2)CC1 18826478 GXANNZIGWFDZCG-UHFFFAOYSA-N 444.738 4.030 5 20 IIBD COc1ccc([C@@H](NC(=O)COC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C2CC2)cc1 25374556 LYOPCFDSMXFNFV-NRFANRHFSA-N 440.477 4.242 5 20 IIBD COc1cc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccccc1 65124072 LCTDVJBTWDSZHZ-UHFFFAOYSA-N 436.464 4.164 5 20 IIBD Cc1ccc(CN2C[C@H](C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)CC2=O)cc1 69157844 ZAKOPCOBLXXJPQ-QGZVFWFLSA-N 436.493 4.014 5 20 IIBD COc1cc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2OC)ccc1OCc1ccncc1 107995365 FQVMVDGBOBXTAG-OAHLLOKOSA-N 437.452 4.077 5 20 IIBD CC(C)c1nccn1Cc1cccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1 108210213 RBNZGZFXJZCGJY-UHFFFAOYSA-N 430.468 4.401 5 20 IIBD O=C(Nc1cc(Cl)ccc1O)C1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 195712158 HSAMKEUMKGQADE-UHFFFAOYSA-N 433.892 4.073 5 20 IIBD COc1cc(CNc2cnn(Cc3ccccc3)c2)c([N+](=O)[O-])cc1OCC(F)(F)F 237244181 LAKBLDMFDLKWSI-UHFFFAOYSA-N 436.390 4.401 5 20 IIBD O=C(Nc1ccccc1C(=O)NCc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1Cl 247308638 HQWMHGMXXSUUPG-UHFFFAOYSA-N 449.854 4.307 5 20 IIBD CCN(CC(=O)Nc1ccccc1C(F)(F)F)c1ncc([N+](=O)[O-])cc1Br 301550468 FVOXUZBCRIPFRW-UHFFFAOYSA-N 447.211 4.236 5 20 IIBD CN1CCO[C@H]([C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)c2ccc(Cl)cc2)C1 301971909 GVEOLMMLNBLZCN-ZWKOTPCHSA-N 427.835 4.333 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ccc2nc(-c3ccccc3)[nH]c2c1 427796184 GXSHLUYHQPQFOQ-UHFFFAOYSA-N 449.854 4.160 5 20 IIBD Cc1c(NC(=O)C(=O)Nc2ccc(OC(C)C)cc2)cc(Br)cc1[N+](=O)[O-] 430328802 HJTARDAKQKDZPD-UHFFFAOYSA-N 436.262 4.030 5 20 IIBD C[C@H]1CC(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)Cc1ccc([N+](=O)[O-])cc1 430473981 OJWNQQRAZJAKEM-SFHVURJKSA-N 429.476 4.496 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cccc(Oc2ncc(Br)cn2)c1 431881651 KLNMQJPRMOXDFZ-UHFFFAOYSA-N 429.230 4.121 5 20 IIBD C[C@H]1CN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC[S@](=O)C1 432608180 RQTCPMHYYUFBLA-OIJAAMDRSA-N 438.958 4.240 5 20 IIBD O=C(N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2 433853248 JRYPAKKMQPAAMR-XBLGPDGASA-N 437.462 4.392 5 20 IIBD CCC(=O)c1cccc(NC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c1 434120619 VWMBWRVKPLSVOL-SFHVURJKSA-N 427.457 4.392 5 20 IIBD COc1ccc(C[C@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])c2ccccc2)cc1OC 435721861 GBEXIGIJVVUPTB-IBGZPJMESA-N 436.464 4.334 5 20 IIBD COc1ccc2c(c1)OC[C@H](NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])C2 441284763 KWNKWUCZOZGBNS-MRXNPFEDSA-N 436.489 4.488 5 20 IIBD CC(=O)Nc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)ccc1Cl 445911321 DXUCGPBAHLGMOG-UHFFFAOYSA-N 426.654 4.150 5 20 IIBD CC(C)c1ccc(CNCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)cc1[N+](=O)[O-] 447062914 GIZPMJQUEDVZJQ-UHFFFAOYSA-N 430.448 4.430 5 20 IIBD COc1ccc(CNc2cc(Br)cc(C(=O)N3CCCC3)c2)cc1[N+](=O)[O-] 447980319 WYIZSJTYFOIYMD-UHFFFAOYSA-N 434.290 4.214 5 20 IIBD CC(C)[C@@H]1C[C@@H](CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c2ccccc21 448322921 VPJXQZACFVGEQB-GUYCJALGSA-N 447.438 4.178 5 20 IIBD COc1ccc(-n2c(NC(=O)c3cc(OC)c(OC)cc3[N+](=O)[O-])nc3ccccc32)cc1 460396730 BTJSYLLKZTXUEF-UHFFFAOYSA-N 448.435 4.212 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N(c2ccccc2F)C2CCCC2)cc1OC 461539522 JDRFUYUBUOGQCL-UHFFFAOYSA-N 432.448 4.357 5 20 IIBD CCOc1cc(NC(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)c([N+](=O)[O-])cc1OCC 462252893 LUMBZOBUPAKMEZ-APWZRJJASA-N 429.473 4.434 5 20 IIBD O=C([C@@H]1CCN(c2ccccc2F)C1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 463419378 VNBVWFQMQAEZSZ-OAHLLOKOSA-N 425.382 4.151 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N[C@H](Cc1ccccc1)c1ccccc1F 465135019 AGFQYFDDVQAGRP-HXUWFJFHSA-N 436.439 4.148 5 20 IIBD C[C@H]1CCN(CCOc2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 465180826 BHLUJOZMOZCHAI-HOTGVXAUSA-N 447.919 4.375 5 20 IIBD O=C(NCc1nnc(C2CC2)n1C1CC1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 468307662 IAQIUVVWVNTBPQ-UHFFFAOYSA-N 435.509 4.480 5 20 IIBD CC(C)(CNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1cccc(Cl)c1F 469477234 BWAJUTGEIVJGSU-UHFFFAOYSA-N 449.866 4.169 5 20 IIBD CCOc1cc(C(=O)N[C@H]2C[C@H](OCc3ccccc3)C2(C)C)c([N+](=O)[O-])cc1OC 471693099 MADSTBGQIAVNCV-SFTDATJTSA-N 428.485 4.116 5 20 IIBD CCOc1ccc(C(=O)CCC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1F 474100502 XVEIBRHOOJAXEM-OAQYLSRUSA-N 432.473 4.370 5 20 IIBD C[C@H](NC(=O)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1)c1ccccc1[N+](=O)[O-] 474652455 YQLCFYVBKNCGLW-NVTAWBTOSA-N 447.495 4.469 5 20 IIBD COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)Nc2ccc([N+](=O)[O-])c(C)n2)cc1 475318069 FDJMRMVHQKPHNA-UHFFFAOYSA-N 443.463 4.341 5 20 IIBD Cc1cccc(CC2(O)CCN(C(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)CC2)c1 477684953 BFCWKVUZTXSNMO-UHFFFAOYSA-N 444.506 4.339 5 20 IIBD CCn1nc(C)c([N+](=O)[O-])c1N1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 479995493 ORBDUCVGVUMHQL-UHFFFAOYSA-N 438.463 4.465 5 20 IIBD CC(C)(C)Oc1cc(NCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)ccc1[N+](=O)[O-] 485082647 ZEKRNQSXGRYADI-IBGZPJMESA-N 440.544 4.082 5 20 IIBD Cc1cc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)n(-c2ccccc2)n1 486582015 APVRESRAWMLGGV-UHFFFAOYSA-N 430.468 4.203 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCC(Cc3cccc(F)c3)CC2)c(C)c([N+](=O)[O-])c1 486863746 DMLDUMLMSIOROO-UHFFFAOYSA-N 429.448 4.316 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCC[C@H](Oc3ccccc3Cl)C2)c(C)c([N+](=O)[O-])c1 486902035 VILOJLKDEUWUET-HNNXBMFYSA-N 447.875 4.419 5 20 IIBD C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 488050211 OBKPDKSTPSOFLI-KRWDZBQOSA-N 441.553 4.071 5 20 IIBD Cc1cccc2cc(C(=O)Nc3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)oc12 488274878 WDIPDSARVWWYJL-UHFFFAOYSA-N 443.462 4.191 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cn2)nnc1-c1ccc([N+](=O)[O-])cc1 489414589 UTBAAWCPMVIASA-LLVKDONJSA-N 432.893 4.041 5 20 IIBD CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1OCC 490156993 KMQICQAJJLPFSI-GFCCVEGCSA-N 428.894 4.085 5 20 IIBD CCc1cccc(C)c1NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC 491604321 LCNYLKLLBZHRDK-UHFFFAOYSA-N 443.319 4.346 5 20 IIBD CC[C@H](NC(=O)Nc1ccc(N2CCOCC2)c2ccncc12)c1cccc([N+](=O)[O-])c1 493050721 JXRYVCRVGNEPII-FQEVSTJZSA-N 435.484 4.252 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N(CCc1ccccc1)Cc1cccnc1 494723628 QPVOEYYSBKXFNI-UHFFFAOYSA-N 427.464 4.061 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H](c1ccccc1)N1CCCOCC1 494802965 ANSWEKDGQLHRKJ-HXUWFJFHSA-N 438.509 4.120 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCCc2nc(C)oc2C)cc1[N+](=O)[O-] 497440794 NWWWDGGXWGQCPI-UHFFFAOYSA-N 439.493 4.125 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 497458670 FHIWRWYEBICZNS-CQSZACIVSA-N 445.903 4.179 5 20 IIBD CCNc1ccc(C(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)cc1[N+](=O)[O-] 501255591 ZTSJZWQXZHKETR-UHFFFAOYSA-N 443.456 4.251 5 20 IIBD Cc1ccc(NC(=O)COc2ccc(CCNC(=O)c3cccc([N+](=O)[O-])c3C)cc2)cc1 501609719 WBGCWLBOXVAOPO-UHFFFAOYSA-N 447.491 4.202 5 20 IIBD CC(C)c1noc(-c2ccc(NC(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)cc2)n1 503360334 QZFDILHGFRZEOJ-UHFFFAOYSA-N 436.472 4.122 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC(c2ccc(Br)cc2)CC1 503429620 AOSVUQMQVBKZEH-UHFFFAOYSA-N 432.318 4.484 5 20 IIBD Cn1cnnc1[C@@H]1CCCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 503906569 BOBZVRDDXUZVCM-INIZCTEOSA-N 427.848 4.146 5 20 IIBD Cc1cc(C(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)ccc1[N+](=O)[O-] 505009695 WNBNCDCRNXJGNM-UHFFFAOYSA-N 446.301 4.157 5 20 IIBD CNC(=O)c1ccc(Sc2nnc(-c3ccccc3C)n2Cc2ccco2)c([N+](=O)[O-])c1 507109759 GBXNDCRIGHLIBW-UHFFFAOYSA-N 449.492 4.314 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 507396627 DYLDDYTZJKBXLN-IAGOWNOFSA-N 439.365 4.144 5 20 IIBD Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 508413742 AXDDLMVMPANIKH-UHFFFAOYSA-N 431.855 4.231 5 20 IIBD C[C@@H]1C[C@@H](CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CN1Cc1ccccc1 510128111 JZHHMRLWJFJURZ-NVXWUHKLSA-N 446.345 4.388 5 20 IIBD C[C@H](NC(=O)CNc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(Br)cc1 511097342 VWHXYRWZXFOJCE-JTQLQIEISA-N 444.232 4.248 5 20 IIBD O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 512130222 LIZMQDDYOSQYFT-CYBMUJFWSA-N 444.285 4.360 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CN[C@@]3(Cc4ccc(C(F)(F)F)cc4)CCOC3)n2)cc1 513195755 GZHWKIZXVDMRGV-HXUWFJFHSA-N 448.401 4.155 5 20 IIBD O=[N+]([O-])c1cc2c(c(CSc3nnc(NCCc4cccs4)s3)c1)OCOC2 514727073 OLSYTQQMYBYHTH-UHFFFAOYSA-N 436.540 4.321 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Oc2ccc(Cl)cc2)nc1 516251051 POMGZFHWUJXTPQ-UHFFFAOYSA-N 440.843 4.194 5 20 IIBD COc1ccccc1[C@@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 517464554 YABFIYXJQIFJHF-FQEVSTJZSA-N 439.855 4.101 5 20 IIBD C[C@H](Cc1cccc(Br)c1)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 519121554 RIJKRGXSUIBAAG-OAHLLOKOSA-N 446.345 4.321 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)ccc1[N+](=O)[O-] 522358952 NYSZDYLNMAPWHN-UHFFFAOYSA-N 431.514 4.109 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1Br)Nc1ccc(Br)cc1F 523109716 YQYNQEKOBVDOGA-UHFFFAOYSA-N 448.042 4.276 5 20 IIBD Cc1ccc(NC(=O)C(=O)N[C@H]2CCOc3c(-c4ccccc4)cccc32)cc1[N+](=O)[O-] 523229574 RCGPFPOPHUKPNW-FQEVSTJZSA-N 431.448 4.149 5 20 IIBD CC[C@@H]1c2ccsc2CCN1C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 523272711 BJHOKBZPLIPQJW-IEBWSBKVSA-N 427.526 4.105 5 20 IIBD CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 531273932 FVOCGHHEVFVDCN-AWEZNQCLSA-N 433.892 4.034 5 20 IIBD CCc1ccc(NC(=O)[C@H](C)[S@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 535512150 XKIGDRJWFQDKCL-NGFNCXNUSA-N 427.482 4.088 5 20 IIBD CCCN1C(=O)CCc2cc(N[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)ccc21 537992744 AQSHETAQUPLUQJ-ZDUSSCGKSA-N 430.892 4.377 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccc(OCC(F)(F)F)cc2)c([N+](=O)[O-])c1 540362188 FBPLPBBOJPKQPD-OLZOCXBDSA-N 441.406 4.222 5 20 IIBD COc1cc(OC)c(-c2noc([C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1OC 546231815 OOIYHHPYSKRRQP-JTQLQIEISA-N 435.820 4.464 5 20 IIBD Cc1csc2ncc(-c3nc(-c4ccc(Oc5cccc([N+](=O)[O-])c5)cc4)no3)c(=O)n12 546494043 RUSPVLSITXMAPP-UHFFFAOYSA-N 447.432 4.482 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2CN2CCOCC2)no1 547007189 OHJZWRUMZPWTDD-OAHLLOKOSA-N 426.498 4.330 5 20 IIBD COc1ccc(CC(=O)Nc2ccc(OC(F)(F)F)c(Br)c2)cc1[N+](=O)[O-] 548750456 QYWSZWYISXOXSQ-UHFFFAOYSA-N 449.179 4.446 5 20 IIBD O=C1CC[C@@H](C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c2ccccc21 550215199 ODDVVVDJYCGPOO-QGZVFWFLSA-N 447.413 4.023 5 20 IIBD COCCC[C@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(Cl)cc1 552241416 OODMRAJNEWDSLN-QGZVFWFLSA-N 442.903 4.374 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](c2ccccc2)N2CCc3sccc3C2)n1 553278253 MKUPJHUJNQTUMB-IBGZPJMESA-N 438.509 4.049 5 20 IIBD CC(=O)c1oc2cc(C)ccc2c1CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 553972457 IKUXOTMVLLKURT-UHFFFAOYSA-N 436.464 4.465 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1)c1cccc([N+](=O)[O-])c1 555226278 AXFYNAKYKQWDMC-NSHDSACASA-N 430.873 4.188 5 20 IIBD Cc1nc(N2CCC=C(c3ccco3)C2)nc(N2CCC=C(c3ccco3)C2)c1[N+](=O)[O-] 561359529 APQFHJLVFXZFNM-UHFFFAOYSA-N 433.468 4.467 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)NCC2(c3ccc(Br)s3)CCC2)c1 564110864 WBNWMXCXOMPMEP-UHFFFAOYSA-N 425.304 4.279 5 20 IIBD O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 564568108 OMHAPJBFWMAQIH-UHFFFAOYSA-N 438.415 4.025 5 20 IIBD O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCc2c([nH]c3c(F)cccc23)C1 564635037 PHDXBLZYYVDTPK-UHFFFAOYSA-N 435.459 4.397 5 20 IIBD CC(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 571601805 CCYCYWANSAFLDX-KSSFIOAISA-N 427.448 4.355 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCCCN2CCCCCC2)cc1[N+](=O)[O-])c1ccccn1 577425220 LWKFZSNAPTZWEM-SFHVURJKSA-N 425.533 4.159 5 20 IIBD O=[N+]([O-])c1cccc(Br)c1OC[C@@H](O)COc1ccccc1C(F)(F)F 577894368 FMGHCVVRMCBFCQ-JTQLQIEISA-N 436.180 4.195 5 20 IIBD CSc1cccc(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)c1[N+](=O)[O-] 580227311 ARUPIYOUMQGOIB-LLVKDONJSA-N 428.436 4.089 5 20 IIBD COc1cc(Cc2noc(-c3cccc(OC)c3[N+](=O)[O-])n2)ccc1OCC(F)(F)F 583778573 ZYOVMRMVZLOUGV-UHFFFAOYSA-N 439.346 4.194 5 20 IIBD CCOc1ccc(-c2nc(CC)c(-c3nc(-c4c([N+](=O)[O-])nc(C)n4C)no3)s2)cc1 584198272 CSFCZZYHMOXFBE-UHFFFAOYSA-N 440.485 4.438 5 20 IIBD COc1ccc([C@@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2)cc1 603491767 FWZSWGRGRFXPGU-FQEVSTJZSA-N 432.885 4.325 5 20 IIBD CCCc1nc(C)c(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)s1 603636085 GRFFLWDIYOHNKG-UHFFFAOYSA-N 442.463 4.293 5 20 IIBD COc1ccc(CNC(=O)c2ccccc2OCc2cn3cc(C)ccc3n2)cc1[N+](=O)[O-] 604018315 UMTSALHMPYUEFW-UHFFFAOYSA-N 446.463 4.069 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(C)C 608835300 PGANSPYPQWBHPV-QGZVFWFLSA-N 432.420 4.298 5 20 IIBD O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 609233275 VDOGHULVXFEFHF-UHFFFAOYSA-N 433.399 4.241 5 20 IIBD COc1ccccc1[C@H](NC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C)c1ccccc1 609374459 YEAWGKZONNXASK-HSZRJFAPSA-N 443.463 4.012 5 20 IIBD Cc1ccc(C[C@H](NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c2ccccn2)cc1 609676293 WBRRQDGXFYHLFE-FQEVSTJZSA-N 425.510 4.177 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C(=O)c1cnn(-c2ccccc2)c1 609762193 PQRXCDJFPUJHGJ-UHFFFAOYSA-N 428.404 4.394 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCCCc1ccc(Br)cc1F 609787826 XSHHZPFKMSIPPA-UHFFFAOYSA-N 429.673 4.441 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N(Cc1ccccn1)C1CC1 609853939 UHVDOAFMQGLAHM-UHFFFAOYSA-N 432.267 4.287 5 20 IIBD CC(=O)N[C@H](CC(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1)c1c(F)cccc1F 609858828 JOOZULSLFHCUOF-HXUWFJFHSA-N 431.439 4.416 5 20 IIBD O=C(Nc1cc(F)ccc1SCC(F)F)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 610019780 RURPVGLFCGGCII-UHFFFAOYSA-N 440.447 4.445 5 20 IIBD O=C(c1ccccc1)c1ccc(N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)c([N+](=O)[O-])c1 610116468 AZDLZNQKBUBQSN-GOTSBHOMSA-N 445.519 4.121 5 20 IIBD O=C(Nc1cccc(-c2nc(=O)o[nH]2)c1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 610860203 WOKXERNFQJJRSL-UHFFFAOYSA-N 434.433 4.342 5 20 IIBD CC(=O)Nc1cccc(-n2c(Sc3ncnc4ccc([N+](=O)[O-])cc34)nnc2C2CC2)c1 611700764 FDZJVHQLFKREAB-UHFFFAOYSA-N 447.480 4.106 5 20 IIBD CC(C)(C(=O)N1CCc2sc(Br)cc2C1)c1ccc([N+](=O)[O-])cc1F 612998831 SVFCXXJHIMGTOX-UHFFFAOYSA-N 427.295 4.420 5 20 IIBD O=C(NCCNC(=O)c1cc2ccccc2c2cccnc12)c1ccc(Br)cc1 615983615 ZJDXDNPGHVIRFM-UHFFFAOYSA-N 448.320 4.310 5 20 IIBD O=C(Nc1cccc(Cn2nc3ccccn3c2=O)c1)c1cc2ccccc2c2cccnc12 643180947 CSJWDJFIPNWXGJ-UHFFFAOYSA-N 445.482 4.498 5 20 IIBD COc1cc([C@H](C)NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])ccc1OC(C)C 725822424 ZJDFLRZATLUPDQ-LBPRGKRZSA-N 428.894 4.084 5 20 IIBD COc1ccnc(COC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c1 726384143 XGVPBRQLEPFRPC-UHFFFAOYSA-N 444.447 4.137 5 20 IIBD Cn1c(COC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)nnc1C1CC1 727180652 DHHNMIDPVOJNLG-UHFFFAOYSA-N 428.832 4.403 5 20 IIBD COc1ccc(CC(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)cc1[N+](=O)[O-] 727667964 WIVNTQQAABGCPU-INIZCTEOSA-N 425.485 4.108 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccccc2NC(=O)Cc2cccs2)cc1[N+](=O)[O-] 730499839 IJAQCGYPNDXYJL-UHFFFAOYSA-N 440.437 4.306 5 20 IIBD CCOC(=O)c1sc2ccsc2c1CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 730592236 XDEIQMKOWKRMFK-UHFFFAOYSA-N 449.466 4.194 5 20 IIBD Cc1ccc(OC(F)F)c([C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 734733061 VLMQWADWPKBNPD-CQSZACIVSA-N 436.411 4.259 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1Cl)C1CCN(C(=O)/C=C/c2ccccc2)CC1 734782193 NVSVLWXTDRLYHL-RMKNXTFCSA-N 428.872 4.243 5 20 IIBD C[C@H](NC(=O)COC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1cccc2ccccc12 735355153 OBIOCBKIKLZDHH-AWEZNQCLSA-N 445.431 4.036 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(c3ccccc3F)CC2)cc1Br 736340807 OQGSMRJMPDNTOO-UHFFFAOYSA-N 443.294 4.065 5 20 IIBD C[C@@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@H]1NC(=O)OC(C)(C)C 740828880 HKRQEZWKQNAIBR-CZUORRHYSA-N 446.529 4.094 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H](C)c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 745311124 RRUCXILHYLUMHL-NWDGAFQWSA-N 440.374 4.296 5 20 IIBD Cc1c(C(=O)Nc2ccccc2OC[C@H]2CCCCO2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748630578 OMRWJYPAQXFWTD-OAHLLOKOSA-N 429.429 4.320 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CCN(c2ccc(F)cc2)CC1 749410126 SOWJHJCEBSCABY-UHFFFAOYSA-N 442.672 4.112 5 20 IIBD O=C(NCc1ncc(-c2ccccc2)[nH]1)c1cc(Br)cc([N+](=O)[O-])c1Cl 749577582 ZIOHWZPQIWZBLJ-UHFFFAOYSA-N 435.665 4.331 5 20 IIBD Cc1ccc(/C=C2\SC(=O)N(CCNC(=O)c3cccc(Cl)c3[N+](=O)[O-])C2=O)cc1 749887160 GSMWZAJFLAVQAY-WJDWOHSUSA-N 445.884 4.023 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CCC[C@@H]1CN1CCCCC1 750864585 NMQPHZJUERLHJB-CYBMUJFWSA-N 430.730 4.101 5 20 IIBD C[C@H](OC(=O)c1ccc(-c2nc(C3CC3)no2)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 751761131 LZCQNNYDYGNNET-LBPRGKRZSA-N 447.407 4.490 5 20 IIBD O=C(Nc1cccc(Cl)n1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 752696188 GPAYEBDEFGVEME-UHFFFAOYSA-N 429.786 4.016 5 20 IIBD CCc1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cnn1-c1cccc(Cl)c1 752982573 LEILXPVMOUSQLS-UHFFFAOYSA-N 429.820 4.465 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)OCCCc1nc(-c2ccccc2)no1 756531056 ZXIKEIHRUFABAJ-UHFFFAOYSA-N 446.257 4.126 5 20 IIBD Cc1noc(C)c1CSc1ncccc1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 756993130 NLJXXRMEVULFQB-UHFFFAOYSA-N 432.889 4.470 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C1CCN(c2ccc3cccc(O)c3n2)CC1 757423304 CJHVVZKDVUBNBY-UHFFFAOYSA-N 440.887 4.035 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1Cc2ccc(Br)cc2C1 759154391 CSGVRKNHUZTFEA-UHFFFAOYSA-N 426.064 4.276 5 20 IIBD CO[C@@H](C)c1nc(CN2CCCN(c3ccc([N+](=O)[O-])cc3OC(F)F)CC2)cs1 760559926 GTMQBEXRECWMID-ZDUSSCGKSA-N 442.488 4.072 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC1CCC(O)(c2ccccc2)CC1 760714257 JDVSGBZLAZDHNT-UHFFFAOYSA-N 426.516 4.101 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(Cc3cn4cc(Cl)cc(Cl)c4n3)no2)cc([N+](=O)[O-])c1 761924761 SEQOMWDULXGCQB-UHFFFAOYSA-N 435.183 4.098 5 20 IIBD CC(C)c1cccc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1 762055531 HQZWWFWBHDXHRQ-ZDUSSCGKSA-N 440.481 4.421 5 20 IIBD O=C(N[C@H]1CCCN(c2ccccc2F)C1)c1cc(F)cc([N+](=O)[O-])c1Br 763187669 IUFHRZZKFUVIPP-LBPRGKRZSA-N 440.244 4.034 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccccc1)c1ccccc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 763869131 IHKMRHBMFWAECK-JOCHJYFZSA-N 442.431 4.317 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@@H]2c2ccc(Cl)cc2)ccc1Br 765191997 DQRNWKIEBZHCBQ-CQSZACIVSA-N 431.695 4.146 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1 765583217 ZPTKBYFHNZCNTN-WMZOPIPTSA-N 443.519 4.141 5 20 IIBD Cc1cccc(S(=O)(=O)CCCOC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1 766228250 NLMCWUINLOIION-UHFFFAOYSA-N 443.930 4.056 5 20 IIBD C[C@@H](OC(=O)[C@H](C)c1ccc(Br)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 767002983 ZOWYVWFALAYDHA-GHMZBOCLSA-N 439.237 4.170 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](OC(=O)[C@H](O)c1ccccc1)c1ccccc1 768642543 QGPIZWNRFIAEJF-UXHICEINSA-N 440.839 4.205 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CN3CCC(O)(c4ccccc4C(F)(F)F)CC3)n2)cc1 769837451 ZROQLQAKGHPMJJ-UHFFFAOYSA-N 448.401 4.147 5 20 IIBD CC(C)Oc1ccc(C(=O)COC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 773601890 ZFAYIHXYPQNEJS-UHFFFAOYSA-N 428.260 4.246 5 20 IIBD CC(C)[C@@H](OC(=O)c1c(N)cccc1[N+](=O)[O-])C(=O)Nc1ccccc1C(F)(F)F 778143912 MRAXNWNRGLGNMP-MRXNPFEDSA-N 425.363 4.016 5 20 IIBD COc1ccc(-c2ncc(C(=O)O[C@@H]3CCN(c4ccc([N+](=O)[O-])cc4)C3)s2)cc1 778792875 PWYBHAPZIRLCSV-GOSISDBHSA-N 425.466 4.163 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@@H]3CCCc4cn(C(C)C)nc43)cc2[N+](=O)[O-])CC1 781046762 DNBGDFQCMUPWEH-LJQANCHMSA-N 425.533 4.416 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cccc(NC(=O)c2cccs2)c1 781597964 SSDHFUYXPGKTKP-UHFFFAOYSA-N 440.437 4.388 5 20 IIBD O=C(OCc1nnc(-c2cccc(Cl)c2)o1)c1cccc([N+](=O)[O-])c1Br 781675298 RVEGUVJLJNGMKW-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD COc1ccc(NC(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 782811523 UTIODBVIDOHVFA-OAQYLSRUSA-N 435.436 4.210 5 20 IIBD CCCOc1ccc(NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1OCCC 782894353 XPJSZLLHTISREO-UHFFFAOYSA-N 435.864 4.403 5 20 IIBD O=C(Nc1ccc(NC(=O)c2cccs2)cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 783964148 AESAWFRTHDHPES-UHFFFAOYSA-N 444.856 4.139 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(CNC(=O)OCc3ccccc3)CC2)c1 787789334 WXAYIXDNHQQNSI-UHFFFAOYSA-N 443.525 4.095 5 20 IIBD CN(C[C@@H]1C[C@H](F)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)OC(C)(C)C 789722234 HWFVDZVEINMQDP-AAEUAGOBSA-N 430.864 4.059 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Oc1cccc(Oc2ncccn2)c1 790421480 PQSQSVPFNSWQGC-UHFFFAOYSA-N 430.214 4.467 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 793126681 NLXRDUWTCXMWQG-UHFFFAOYSA-N 448.403 4.031 5 20 IIBD COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2I)c(C)cc1C 794368387 YQSJQSSGAKFZLM-UHFFFAOYSA-N 426.210 4.077 5 20 IIBD COc1c(C(=O)OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cccc1[N+](=O)[O-] 796309870 MOZSEJKWINIAKC-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCC(F)(c2ccc(Cl)cc2)CC1 799270716 GCFSCKKORAQDKN-UHFFFAOYSA-N 440.258 4.328 5 20 IIBD C[C@H](N[C@@H]1CCc2ccccc2OC1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 801570715 IFWRTZAAEAYZET-WMLDXEAASA-N 438.509 4.029 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2cc(F)c(C(F)(F)F)cc2F)cccc1[N+](=O)[O-] 805593438 YKQUZJYTWPFRNH-VIFPVBQESA-N 432.301 4.384 5 20 IIBD CC(=O)c1oc2cc(C)ccc2c1CC(=O)O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 805896014 AKJVYPZOJXOGOW-MSOLQXFVSA-N 425.441 4.318 5 20 IIBD O=[N+]([O-])c1cc(Cl)c2c(cnn2CN2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)c1 808240447 VCKXXHCDCFVNHV-HZPDHXFCSA-N 432.868 4.017 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCOc2ccc(Br)cc2C1 809915799 CPXVEHSXLNCEKC-UHFFFAOYSA-N 426.654 4.437 5 20 IIBD CS(=O)(=O)c1ccc2nc(NC(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])sc2c1 812822933 LZRNVLACVDXYFG-UHFFFAOYSA-N 446.293 4.167 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 812824187 VIONHNNGZIKOLO-UHFFFAOYSA-N 446.312 4.184 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)CC12CCC2 816852523 SXVCMOJLMXUDSI-HNNXBMFYSA-N 435.546 4.125 5 20 IIBD Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1[N+](=O)[O-] 848944230 WUSLMPXVFACYDS-NSHDSACASA-N 447.419 4.489 5 20 IIBD C[C@@H](c1ccccc1Cl)N(C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)C1CC1 914479482 AVRIPPCIILWEBY-UONOGXRCSA-N 445.878 4.492 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])Cn1[nH]c(-c2ccc(Br)cc2)nc1=S 914783502 KSWVXLLLXNWWIZ-UHFFFAOYSA-N 434.319 4.368 5 20 IIBD COc1ccc(CSCC(=O)OCc2cccc(Br)c2)cc1[N+](=O)[O-] 914800769 NEBLISBPADBRAR-UHFFFAOYSA-N 426.288 4.343 5 20 IIBD O=C(CN1CCCCCC1)Nc1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 916397880 NLUBYUBGDGQYHK-UHFFFAOYSA-N 430.892 4.315 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NC[C@H](c2ccccc2)N2CCC(C)CC2)c1[N+](=O)[O-] 918734903 BOWXVGNLBSILRS-HXUWFJFHSA-N 428.489 4.189 5 20 IIBD C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 918865082 QAUDRBDTNYIPTI-HNNXBMFYSA-N 445.903 4.225 5 20 IIBD CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)OCc1cc(F)ccc1[N+](=O)[O-] 918994517 UEMKGDVPZACTDD-FDBJDISXSA-N 432.492 4.134 5 20 IIBD COC(=O)[C@H](OC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccccc1 920548839 ULVJDXFCXZJGNM-YCRPNKLZSA-N 435.436 4.234 5 20 IIBD CC(C)Oc1cc(C(=O)N2CCc3c(ncn3CCc3ccccc3)C2)ccc1[N+](=O)[O-] 929069895 MSKMYFSBGDTXFJ-UHFFFAOYSA-N 434.496 4.020 5 20 IIBD COc1ccc(C[C@H](CO)CNCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1O 1117645105 YDEMIQPFONNYQA-HNNXBMFYSA-N 446.887 4.163 5 20 IIBD COc1cc(CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)ccc1OCc1ccccc1 1318956183 WWAKFROCCVFUQO-UHFFFAOYSA-N 433.464 4.408 5 20 IIBD C[C@@H](OC(=O)CCOc1cc(Cl)ccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1 1321918513 QFDOMVXUUORLKQ-LLVKDONJSA-N 427.240 4.241 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2[nH]c3ccc(C)cc3c2Cl)c([N+](=O)[O-])c1 1337407863 XLAQRVQANWTJMG-LLVKDONJSA-N 431.832 4.231 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(Cc1sc(N3CCOCC3)nc1-c1ccccc1)CC2 1341567832 NYIUMWJJWXNJSB-UHFFFAOYSA-N 436.537 4.113 5 20 IIBD O=C(Cc1cc([N+](=O)[O-])ccc1F)Nc1ccc(C2(NC(=O)c3ccc[nH]3)CCC2)cc1 1786672983 XQBMSFUYORMFRV-UHFFFAOYSA-N 436.443 4.052 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3nccc4occc34)cc2)CCC1)c1ccc([N+](=O)[O-])o1 1788339136 HUPAXZQOYLYUMY-UHFFFAOYSA-N 446.419 4.391 5 20 IIBD Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)[C@@H]4CC4(F)F)CCC3)cc2)cc1[N+](=O)[O-] 1790525084 ZTJDLHWMWMIDOY-SFHVURJKSA-N 443.450 4.235 5 20 IIBD Cc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2cccc([N+](=O)[O-])c2)cc1C 1793938561 GGQIYCCDQDHUKY-NUNAXRQHSA-N 449.551 4.025 5 20 IIBD CC(C)=CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C)c([N+](=O)[O-])cn2)n[nH]1 1818264739 ZHPMATIWQXHHKA-SFHVURJKSA-N 440.504 4.074 5 20 IIBD COc1ccc(OC)c(-c2csc(NC(=O)c3cc(OC)c(OC)cc3[N+](=O)[O-])n2)c1 14791358 APCMEQSNNCRSAA-UHFFFAOYSA-N 445.453 4.005 5 20 IIBD O=C(c1ccccc1)c1ccc(N[C@H](CN2CCOCC2)c2ccccc2)c([N+](=O)[O-])c1 15143268 GJCLNRITRCMVJN-HSZRJFAPSA-N 431.492 4.311 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 15630659 KLSIKZKBPQBIOY-UHFFFAOYSA-N 433.511 4.092 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Sc2nnc(Nc3ccccc3F)s2)c([N+](=O)[O-])c1 15812390 MZKUJKPPZRNCMZ-JTQLQIEISA-N 449.489 4.457 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c(C)n1CC(F)(F)F 16405835 TWZHIANHBYYUAF-UHFFFAOYSA-N 433.770 4.024 5 20 IIBD COc1ccccc1NC(=O)C(=Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1OC 16441754 WJJZNCSHGNSHQU-UHFFFAOYSA-N 447.447 4.273 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2csc(-c3ccc(F)cc3)n2)cccc1[N+](=O)[O-] 27232798 DDCRIJXBQUDUEV-GFCCVEGCSA-N 429.429 4.350 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCCc2csc(C)n2)c([N+](=O)[O-])c1 29462534 FVYUMRLZOMYZAS-UHFFFAOYSA-N 425.466 4.032 5 20 IIBD CC(C)OC(=O)C[C@H](NS(=O)(=O)c1ccc(C(C)C)cc1)c1ccccc1[N+](=O)[O-] 31071153 FWLKKZPNPJOHBX-IBGZPJMESA-N 434.514 4.080 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 32434003 XRZCIFBNVBRMCX-HXUWFJFHSA-N 432.885 4.325 5 20 IIBD C[C@@H]1CCc2c(sc3ncnc(OCC(=O)Nc4cc([N+](=O)[O-])ccc4Cl)c23)C1 39562040 YERLCVDRDVQFMD-SNVBAGLBSA-N 432.889 4.395 5 20 IIBD Cc1c(C(=O)N[C@H](C)c2cc(F)c(Cl)cc2Cl)nnn1-c1cccc([N+](=O)[O-])c1 105570053 DWJLIKNIBXPTGR-SECBINFHSA-N 438.246 4.421 5 20 IIBD C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1cccc([N+](=O)[O-])c1 108453464 PJUUFNHSQDQLLV-AWEZNQCLSA-N 443.456 4.026 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 117421688 NSUKNAKMNIJSDA-CQSZACIVSA-N 438.459 4.340 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)cc1OC 195699814 JQFFHCIQYWQUTM-UHFFFAOYSA-N 425.319 4.414 5 20 IIBD COc1cc(CNC[C@@H]2CCCN(C(C)C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 237241640 PXGVYCFIGCVNPH-NRFANRHFSA-N 427.545 4.392 5 20 IIBD CCc1cc(=O)oc2cc(Oc3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])ccc12 301236047 KHHKASROTGHIGR-UHFFFAOYSA-N 425.365 4.052 5 20 IIBD CCn1c(Sc2nc(-c3ccccn3)nc3c2CCC3)nnc1-c1ccc([N+](=O)[O-])cc1 301715717 MVBPVSOFILDEEO-UHFFFAOYSA-N 445.508 4.365 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N(C)CCc2cccc3ccccc23)ccc1[N+](=O)[O-] 303119601 IBMMKWGMDYFESX-DEOSSOPVSA-N 445.519 4.362 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(F)(c2cccc(OC)c2)CC1 410229180 YXTXQRQTMMASEP-UHFFFAOYSA-N 448.516 4.443 5 20 IIBD Cc1cnc(OCC(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)c([N+](=O)[O-])c1 426565756 CJGFIEWKOUZQRL-LJQANCHMSA-N 430.464 4.107 5 20 IIBD O=C(O)[C@@H](Cc1ccc(OC(F)F)cc1)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 426816840 QXMCFFPYGLPLQJ-QGZVFWFLSA-N 432.379 4.242 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N(C)CCCNC(=O)C3CCC3)cc2[N+](=O)[O-])cc1 429488770 IXVHUHTVXJRVAU-UHFFFAOYSA-N 441.553 4.433 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cc1C 435228737 XTLDOTHMNQODCF-GFCCVEGCSA-N 449.476 4.255 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(CN2CCOCC2)c1 436023448 BDJZFPROQXGFNK-CQSZACIVSA-N 435.933 4.200 5 20 IIBD O=C(c1ccn(-c2cccc(Br)c2)n1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437470170 TWOFNHVMTLWRON-UHFFFAOYSA-N 441.285 4.348 5 20 IIBD Cc1c(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)cccc1[N+](=O)[O-] 437585334 VSQPDTWCKGSSMV-NRFANRHFSA-N 432.480 4.299 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)Nc2cscc2C)c1 439167365 JDDRIMGGHIKNLM-UHFFFAOYSA-N 447.494 4.026 5 20 IIBD Cc1cc(O)c(C(C)C)cc1NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 439235736 QFSWDDXJQSCQNM-HXUWFJFHSA-N 425.485 4.284 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C(=O)NCC3CC3)ccc2C)cc1SC 439375673 YQAQMNIBRPKXBS-UHFFFAOYSA-N 429.498 4.026 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(OC2CCCCC2)cc1 440032340 SSVNERNNDBOENN-UHFFFAOYSA-N 427.457 4.282 5 20 IIBD NC(=O)c1ccc(SCC(=O)N2CCCCC[C@@H]2/C=C\c2ccccc2)c([N+](=O)[O-])c1 440878725 HYPHCCURPMAAFX-LEVJEWGPSA-N 439.537 4.270 5 20 IIBD O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCO[C@H](COCC2CC2)C1 442740018 DDYYHZDJBQNJJB-KRWDZBQOSA-N 428.510 4.014 5 20 IIBD Cc1ccc(C(C)C)c(Oc2ccc(CN3CCC[C@H](S(N)(=O)=O)C3)cc2[N+](=O)[O-])c1 443789211 KZDSMUAXRCEKBZ-SFHVURJKSA-N 447.557 4.072 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 443943786 FEFHIUAGFDBKSN-UHFFFAOYSA-N 431.452 4.454 5 20 IIBD C[C@H](NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1cn(-c2ccccc2)nn1 444230209 YNZKPJMERTXCRN-ZDUSSCGKSA-N 445.429 4.031 5 20 IIBD CCO[C@@H]1C[C@H](N(C)C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C12CCC2 444242177 UUJYWAJCCZAAIC-RBUKOAKNSA-N 426.463 4.379 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3ccc(NC(=O)CC(C)C)c(F)c3)n2)c1 445574238 KEVBKXDPHVTNDA-UHFFFAOYSA-N 428.420 4.368 5 20 IIBD CCc1noc(CC)c1CC(=O)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 446189491 SZXBSJKXWIHFMC-UHFFFAOYSA-N 435.440 4.335 5 20 IIBD CC1CCN(c2ccc(C(=O)N(CC(F)(F)F)[C@@H]3CCCOC3)cc2[N+](=O)[O-])CC1 446205038 IOXREPGTUSFFLD-MRXNPFEDSA-N 429.439 4.015 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccnc(Oc3ccc(F)cc3F)c2)cc([N+](=O)[O-])c1 447516517 OUBCDJMPAMHKCN-UHFFFAOYSA-N 429.335 4.099 5 20 IIBD O=C(Nc1ccc(-c2ccc(Cl)s2)cn1)c1cccc([N+](=O)[O-])c1N1CCOCC1 448514881 NUAMDSMFCHMAAP-UHFFFAOYSA-N 444.900 4.461 5 20 IIBD Cc1c(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)nnn1-c1cccc(Cl)c1 460353480 QEKDEMFNGOOYMY-IBGZPJMESA-N 429.889 4.025 5 20 IIBD C[C@H](c1cc(F)ccc1F)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 461527806 XMBDKWHGXHXEPZ-HUUCEWRRSA-N 443.454 4.365 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(-c2cccnc2)n1C[C@@H]1CCCCO1 461870580 XFYONWYHIKJOCM-NRFANRHFSA-N 436.516 4.232 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(Nc2cc(OC)cc(OC)c2)CC1 462774779 OPGJTNNTYZNWKS-GOSISDBHSA-N 441.528 4.284 5 20 IIBD CCOc1ccccc1C1=CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 463692367 DVDVCAXFBYPNIF-UHFFFAOYSA-N 439.493 4.020 5 20 IIBD CC(=O)c1ccc(SCC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1F 464658318 GFQKQQSPMGVHKU-UHFFFAOYSA-N 432.473 4.099 5 20 IIBD O=C(NC[C@@H](O)C(F)(F)F)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 467652076 ZJZCDPDYVAEYGF-CQSZACIVSA-N 443.428 4.009 5 20 IIBD Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 468171220 XNPWBUXMJXBECF-MRXNPFEDSA-N 425.485 4.234 5 20 IIBD CCCc1[nH]nc(C(=O)N[C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)c1[N+](=O)[O-] 468565892 MXLXDTDBWVAJSJ-ZDUSSCGKSA-N 429.477 4.340 5 20 IIBD COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 468808549 CKLKXPCLHBFXNO-KBPBESRZSA-N 442.921 4.010 5 20 IIBD COC(=O)COc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cc1 469331234 QENBSHNSUYIABF-CQSZACIVSA-N 432.498 4.138 5 20 IIBD C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Br)cc2)no1 471589749 HUNQKVCSIWPYNE-SNVBAGLBSA-N 432.234 4.290 5 20 IIBD Cc1c(COc2ccccc2)cccc1NC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 473244846 RLMWMQRGDCGFSG-KRWDZBQOSA-N 433.464 4.298 5 20 IIBD O=[N+]([O-])c1cc(Br)cnc1NCCCOC1CCN(Cc2ccccc2)CC1 474778812 BVDAPTIRSNOAAF-UHFFFAOYSA-N 449.349 4.236 5 20 IIBD COc1ccc(Cl)cc1NC(=O)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 475017147 ITUIJDFAUWQLCO-UHFFFAOYSA-N 427.244 4.061 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CN[C@@H](CO)c3ccccc3OC(F)(F)F)cs2)c1 475544124 FMHQJSQPGCOGRL-INIZCTEOSA-N 439.415 4.440 5 20 IIBD C[C@@H](C(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1F 477264572 NJXPRYNDFCXEMW-OLZOCXBDSA-N 425.382 4.251 5 20 IIBD O=C(c1cc(C(=O)N(CC2CC2)C2CCC2)cc([N+](=O)[O-])c1)N(CC1CC1)C1CCC1 478586686 OJEUKWOCTNVEDM-UHFFFAOYSA-N 425.529 4.404 5 20 IIBD COC(=O)c1cc(C(C)(C)C)sc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 483051177 YASOLXOKMAEXET-UHFFFAOYSA-N 428.470 4.178 5 20 IIBD CC(C)n1c([C@@H]2CCCN2CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)nc2ccccc21 483104589 VVZXODPDILTLRH-NRFANRHFSA-N 433.512 4.252 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2ccc(-c3cccc(F)c3F)o2)CC1 483285380 XZUDFYSRQBOHBS-UHFFFAOYSA-N 433.436 4.153 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 484539450 BVHMUWISTYYNEA-GFCCVEGCSA-N 441.410 4.157 5 20 IIBD COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1Oc1ccc(C)nn1 485499563 PAGNXRNDDQAEPU-UHFFFAOYSA-N 446.366 4.348 5 20 IIBD CC(C)(C)OCc1cc(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])no1 485750399 ODSICZWABDPAEY-UHFFFAOYSA-N 439.468 4.407 5 20 IIBD Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)C2)cc1 486603602 LZZDWGRQSHSTBT-QAPCUYQASA-N 437.525 4.201 5 20 IIBD Cc1cc(Br)c2oc(C(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)cc2c1 487008636 CUUVFZBXGQSIBZ-UHFFFAOYSA-N 433.262 4.086 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCCc2cc(Br)cc(F)c21 487022458 BEWQMFYNOHARFS-UHFFFAOYSA-N 445.248 4.275 5 20 IIBD COC(=O)c1cc(C)nc(N2C[C@H](c3cccc(C(F)(F)F)c3)O[C@H](C)C2)c1[N+](=O)[O-] 488714303 ULDPLYFZQGXPPA-MLGOLLRUSA-N 439.390 4.070 5 20 IIBD CC(C)c1nnc(CCNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])s1 488727029 DEAJPUOYUXUVRO-UHFFFAOYSA-N 447.542 4.025 5 20 IIBD Cc1c(CN2CCSCC2)cccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 490081536 BROZVKCOTUNHBH-UHFFFAOYSA-N 440.569 4.305 5 20 IIBD C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(NC(=O)c2ccc(F)cc2)cc1 491254408 JZSBTIMYHRYDCA-CYBMUJFWSA-N 447.426 4.354 5 20 IIBD CCN(CCOC)C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 497592723 RNNUTZQVYWYMHQ-UHFFFAOYSA-N 425.844 4.358 5 20 IIBD CC[C@@H](NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)(F)F 498369064 IQUPLLUQRDVGMN-UYAOXDASSA-N 434.418 4.239 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1cnccc1Oc1ccccc1 499624514 XXQQNDOQFYWRRW-UHFFFAOYSA-N 434.408 4.109 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)cc1OC 500234014 WNPOWKASDBDNKV-HXUWFJFHSA-N 440.496 4.311 5 20 IIBD CCCNC(=O)C1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 500295703 GHVNKQOGUXYLEI-UHFFFAOYSA-N 445.903 4.419 5 20 IIBD CCOc1cc(NC(=O)Nc2cccc(NC(=O)[C@@H](C)OC)c2)c([N+](=O)[O-])cc1OCC 502312975 ABUXTNTXWLZILI-CYBMUJFWSA-N 446.460 4.010 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCC[C@@H]1c1cccc(Cl)c1 502970022 GSNISNBZAPPASZ-QGZVFWFLSA-N 429.860 4.300 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2/C=C/c2ccccc2)c(Br)c1 503845011 JTCYCZZEYPJPDN-XVJNWHFHSA-N 437.315 4.224 5 20 IIBD COc1cc(OCC(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)ccc1[N+](=O)[O-] 503867603 AFJGVPSSQOAOTE-LJQANCHMSA-N 441.871 4.131 5 20 IIBD COc1ccc([C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])c2ccccc2OC)cc1 506257210 XUJOEFFRGUVYKF-HSZRJFAPSA-N 435.480 4.243 5 20 IIBD CS(=O)(=O)Nc1ccc(CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 507902023 IEBKZYSSXFXMAT-UHFFFAOYSA-N 445.472 4.188 5 20 IIBD COc1cc(CNc2ccc(C(=O)NC(C)C)cc2)c([N+](=O)[O-])cc1OCC(F)(F)F 508689335 GCZKLZZCOSDVBB-UHFFFAOYSA-N 441.406 4.295 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 509589790 XUPNUPRADTZGNE-UHFFFAOYSA-N 438.406 4.329 5 20 IIBD Cc1noc(COc2ccc(NC(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)cc2)n1 510043940 VSEDQYSINWFVOZ-UHFFFAOYSA-N 447.245 4.188 5 20 IIBD COc1cc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)c([N+](=O)[O-])cc1OC 511504897 CCKQTWKEUUDPBX-CYBMUJFWSA-N 436.848 4.076 5 20 IIBD CO[C@H](C)CN(C)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 513252442 KRALTOSZUAVPTG-ACJLOTCBSA-N 436.306 4.004 5 20 IIBD Cc1cc(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])n(-c2ccc(C(F)(F)F)cn2)n1 513579117 UEZSPCQQFWTHJQ-UHFFFAOYSA-N 448.405 4.209 5 20 IIBD O=C(c1cnn(-c2cccc(Br)c2)c1)N1CCCc2c1cccc2[N+](=O)[O-] 513839330 IKPBVDQSSZNQGZ-UHFFFAOYSA-N 427.258 4.136 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CSc3ncnc4c3cnn4-c3ccccc3)n2)cc1 515134650 ARALGVOAWUCREI-UHFFFAOYSA-N 431.437 4.066 5 20 IIBD C[C@H](NC(=O)c1cc2ccccc2c2cccnc12)c1ccc(S(=O)(=O)N(C)C)cc1 515673152 WLVINEBBAYLIAI-INIZCTEOSA-N 433.533 4.129 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@@H](C)C2)cc([N+](=O)[O-])c1C 516374946 GQJHNPJGTLPNGN-HUUCEWRRSA-N 445.541 4.131 5 20 IIBD O=C(NCC(=O)N(Cc1cccs1)Cc1cccs1)c1c(Cl)cccc1[N+](=O)[O-] 518131321 KCPOOXDQGFSNQU-UHFFFAOYSA-N 449.941 4.330 5 20 IIBD Cc1ccc(-n2nc(C(=O)Nc3ccnn3-c3ccc([N+](=O)[O-])cc3)c3c2CCCC3)cc1 518815982 FURPPFGGTNQDRD-UHFFFAOYSA-N 442.479 4.406 5 20 IIBD COc1ccc(COCc2cccc(NS(=O)(=O)c3c(C)cccc3[N+](=O)[O-])c2)cc1 519125119 JIORRCQMEKFSNZ-UHFFFAOYSA-N 442.493 4.429 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 519931606 UYBUMSFRHFRJDI-ZMZPIMSZSA-N 430.848 4.382 5 20 IIBD C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(NC(=O)c2ccncc2)cc1 522745383 VAHBYRJQJDSVOL-AWEZNQCLSA-N 438.871 4.315 5 20 IIBD COc1cc(CCNC(=O)N2C[C@@H](c3ccccc3C)C[C@@H]2C)c([N+](=O)[O-])cc1OC 523470480 GBJQHGCNVMDMCC-WMZOPIPTSA-N 427.501 4.051 5 20 IIBD C[C@@H]1CN(Cc2ccccc2NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 523558277 YVTYPGHAAOFVFW-RTBURBONSA-N 440.544 4.348 5 20 IIBD COc1ccc([C@@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1Br 524554935 MONMGQHZSCXYIF-SNVBAGLBSA-N 427.682 4.439 5 20 IIBD COc1ccc(CNC(=O)c2cn(C(C)(C)C)nc2-c2ccc(F)cc2F)cc1[N+](=O)[O-] 525136031 GARHESOFIROUCD-UHFFFAOYSA-N 444.438 4.430 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNCCOc3ncccc3F)o2)c(Br)c1 532615883 KUVBQOUIDFCUPD-UHFFFAOYSA-N 436.237 4.320 5 20 IIBD COc1ccc(CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)Cc2ccccc2)cc1 532656651 GNUFEAUFRTWPBA-UHFFFAOYSA-N 435.480 4.253 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 532824134 JJTADKBBNSCHLH-UHFFFAOYSA-N 446.891 4.453 5 20 IIBD COc1cc(CNc2cccc(C(=O)N(C)C)c2)c([N+](=O)[O-])cc1OCc1ccccc1 532888500 OWSOXGZEQQFBDR-UHFFFAOYSA-N 435.480 4.496 5 20 IIBD O=C(CCc1nc2cc(Br)ccc2s1)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 534009897 URDQILJZGWDQLO-UHFFFAOYSA-N 446.286 4.415 5 20 IIBD COC(=O)[C@H](CC(F)F)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 535667357 VTRZZBFZXSQSRA-AWEZNQCLSA-N 444.843 4.326 5 20 IIBD O=C(Nc1cccc(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c1)c1ccc(F)cc1 535682105 XDMCTYZRUUPSPL-UHFFFAOYSA-N 432.411 4.398 5 20 IIBD Cc1nc(-c2ccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)cc2Cl)n[nH]1 537210626 MVVCKLHYPICGNH-UHFFFAOYSA-N 436.653 4.357 5 20 IIBD COc1ccccc1COC1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 537686388 ZPLKYECAJFIIJH-UHFFFAOYSA-N 437.496 4.482 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCCOCc2ccc(Cl)cc2Cl)cc1OC 538441160 KSPXABGCVXVMCU-UHFFFAOYSA-N 443.283 4.256 5 20 IIBD O=C(CCSc1ccc2c(c1)OCCCO2)NCCc1ccc(Cl)cc1[N+](=O)[O-] 538693782 RDYWQDGWIQTSRW-UHFFFAOYSA-N 436.917 4.251 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 538741489 HGIDKJZEABTJKE-QGZVFWFLSA-N 442.491 4.333 5 20 IIBD C[C@H](C(=O)Nc1ccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1)n1cncn1 538834515 AEHLDMLXMITURM-CQSZACIVSA-N 449.496 4.122 5 20 IIBD O=C(N[C@H](CO)c1ccc(C(F)(F)F)cc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 538930259 WVYAMOKSMDSDPU-OAHLLOKOSA-N 437.399 4.201 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(N2CCCCC2)CCOCC1 539673179 BDYPFMFZOSNKOI-UHFFFAOYSA-N 435.590 4.252 5 20 IIBD CC(=O)c1cc(Br)cc(F)c1OCC(=O)Nc1cc([N+](=O)[O-])ccc1C 544077592 HZUJZBJOMVJDCH-UHFFFAOYSA-N 425.210 4.025 5 20 IIBD Cc1ccc(C(=O)N2CCC[C@@H](c3nc(Cc4c[nH]c5ccc([N+](=O)[O-])cc45)no3)C2)cc1 545784931 JJHXRWLFNDUICB-QGZVFWFLSA-N 445.479 4.378 5 20 IIBD Cn1ccc([C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c2ccc(Cl)cc2)n1 545815168 WUDUBAPELPCFRA-HXUWFJFHSA-N 425.876 4.075 5 20 IIBD CS(=O)(=O)c1cccc(N2CC=C(c3cccc(Br)c3)CC2)c1[N+](=O)[O-] 545871327 XMUMRHHKGDLFAE-UHFFFAOYSA-N 437.315 4.055 5 20 IIBD COc1ccc2cc(-c3nc(Cc4ccc([N+](=O)[O-])cc4Br)no3)[nH]c2c1 546450583 BWUZVLXXFJHJPU-UHFFFAOYSA-N 429.230 4.488 5 20 IIBD O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 548492360 VVECCPAAYFNGGI-UHFFFAOYSA-N 429.786 4.016 5 20 IIBD CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 548847367 HXPPAMFBZAYSIA-ZDUSSCGKSA-N 438.311 4.170 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1C(=O)NC(C)C 550706626 CGTCCROJWHDUEM-UHFFFAOYSA-N 434.290 4.365 5 20 IIBD COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 554581337 JYKIOZDTJNUVHV-UHFFFAOYSA-N 432.392 4.128 5 20 IIBD COc1ccc(C2(CNC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)CCOCC2)cc1 559184873 SIUUQTFJSOQJFN-UHFFFAOYSA-N 438.402 4.100 5 20 IIBD CCC[C@@H](NCc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)c1cccc([N+](=O)[O-])c1 560266245 MTWNZVGUIVVYLA-ZJSXRUAMSA-N 436.512 4.451 5 20 IIBD Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])n[nH]1 560556943 GZNDNLFCIRPYDY-MRVPVSSYSA-N 436.291 4.003 5 20 IIBD O=C1CSc2ccc(Nc3ncc(Br)cc3[N+](=O)[O-])cc2N1CC(F)F 561322762 UQGZMVPABZEIDH-UHFFFAOYSA-N 445.245 4.200 5 20 IIBD CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](C(=O)O)c1cccc(Br)c1 566840650 MDFNRBQZAMUMFI-AWEZNQCLSA-N 442.653 4.300 5 20 IIBD C[C@@H](C(=O)Nc1cc(F)c(F)cc1I)c1cccc([N+](=O)[O-])c1 567445994 JLDGJMCHKCOXOK-MRVPVSSYSA-N 432.164 4.220 5 20 IIBD O=[N+]([O-])c1cc(Cl)c(-n2ccc(-c3nc(CCC4CCOCC4)no3)n2)c(Cl)c1 569442296 HIBGULPZQGOKJB-UHFFFAOYSA-N 438.271 4.497 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCOC[C@@H]3[C@H]3CCCO3)cc2[N+](=O)[O-])cc1 574540999 IWIMLTPOSAUUQO-WOJBJXKFSA-N 428.510 4.074 5 20 IIBD O=C1CC(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)(c2cccc(Cl)c2)C1 580864690 FXNBQLJQGZHRJB-UHFFFAOYSA-N 426.778 4.184 5 20 IIBD Cc1cc(Cc2cnc(NC(=O)c3ccc([N+](=O)[O-])n3C)s2)ccc1Br 603762246 BIVBHGIWEAIETC-UHFFFAOYSA-N 435.303 4.304 5 20 IIBD COc1ccc([C@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c2ccc(F)cc2)cc1 604385609 TWMBYBJDVFNAMW-HSZRJFAPSA-N 446.438 4.448 5 20 IIBD CCN(C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)[C@@H](C)c1cccc(C(F)(F)F)c1 604430374 BEFGCWFWOCWMID-LBPRGKRZSA-N 444.431 4.240 5 20 IIBD COc1ccc(CC(=O)NCC2(c3cccc(Br)c3)CCC2)cc1[N+](=O)[O-] 609016537 LGWWWFSROHJCMR-UHFFFAOYSA-N 433.302 4.147 5 20 IIBD O=C(NCCCc1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])cc1I 609346671 NUSZIIPMOKVERF-UHFFFAOYSA-N 449.248 4.043 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCC[C@@H](N4CCCC4=O)C3)cc2[N+](=O)[O-])cc1 609531360 SIGYWCGPSZRSSD-GOSISDBHSA-N 439.537 4.281 5 20 IIBD Cc1cc(CNC(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)n[nH]1 609595218 SICVEADRPKPQDC-WJDWOHSUSA-N 433.493 4.483 5 20 IIBD COC(=O)c1ccc(C)c(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c1 609853176 BWIUACSEQAVVPV-UHFFFAOYSA-N 449.250 4.435 5 20 IIBD COc1cc(C(=O)Nc2ccc(-n3cc(C)cn3)c(F)c2)c([N+](=O)[O-])cc1OC(F)F 609864490 QESKWBCLIGEPLO-UHFFFAOYSA-N 436.346 4.090 5 20 IIBD CN1CCCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c2ccc(F)cc21 609978118 DNMLGNFMMSOMFI-UHFFFAOYSA-N 427.354 4.162 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)Nc1cc(F)ccc1OC[C@@H]1CCCO1 610095106 IEJXAQCCALQORI-IBGZPJMESA-N 431.464 4.436 5 20 IIBD COc1ccc([C@H](NC(=O)COc2ccc(Br)cc2[N+](=O)[O-])C2CC2)cc1 610219623 XKTQSBMABDNTAI-LJQANCHMSA-N 435.274 4.012 5 20 IIBD CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 610641390 GSCONSZPRKGQSP-UTKZUKDTSA-N 430.549 4.177 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCC3(CC2)OCc2ccccc23)cc1[N+](=O)[O-] 611072929 HUYFTGRFIMUEDA-UHFFFAOYSA-N 431.286 4.327 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](NC(C)=O)Cc2ccccc21 611474006 DWEMKKKBLUUWJC-KRWDZBQOSA-N 427.526 4.195 5 20 IIBD COc1ccc(C(=O)NCC(=O)N(C2CC2)[C@@H](C)c2ccc3ccccc3c2)cc1[N+](=O)[O-] 611820281 LOZMWSJNQYTLFY-INIZCTEOSA-N 447.491 4.239 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(-c3ccc(-n4nccc4-c4ccc(F)cc4)cc3)n2)n1C 618425754 JDOJRWNDUIIACV-UHFFFAOYSA-N 445.414 4.346 5 20 IIBD CN(Cc1ccccc1)CC1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 728570096 BCEWEYPOMNUZDM-UHFFFAOYSA-N 430.936 4.031 5 20 IIBD COc1ccc(OC(=O)C[C@@H](NC(=O)c2ccc(C)cc2)c2ccccc2)c([N+](=O)[O-])c1 729823765 MCQSGKGXAMQUPG-HXUWFJFHSA-N 434.448 4.379 5 20 IIBD CC(C)C[C@H](C)n1nccc1NC(=O)c1ccc(I)c([N+](=O)[O-])c1 730473174 FPVNXSFBIMAOFI-NSHDSACASA-N 442.257 4.255 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)O[C@H](C)c1ccc(Cl)cc1Cl 730627568 FNARSIFOQDIWLK-SNVBAGLBSA-N 428.224 4.406 5 20 IIBD CC(C)N(C)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2I)c1 731585801 PERYWVIYCMKNOK-UHFFFAOYSA-N 439.253 4.296 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1ccccc1N1CCc2ccccc21 731609016 YLFPJEJKDXHXRI-UHFFFAOYSA-N 447.447 4.128 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl 732299245 XUHUZKAVNAQDDD-RFAUZJTJSA-N 433.675 4.172 5 20 IIBD O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccc(Oc2ccccc2)nc1 733687243 BEODASDKWBVHTA-UHFFFAOYSA-N 434.452 4.251 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(F)cc2OCC(F)(F)F)ccc1Cl 733773666 MQONLUGYOUSEMY-UHFFFAOYSA-N 428.747 4.129 5 20 IIBD CC(C)[C@@H](OC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)C(=O)N1CCCc2ccccc21 735354673 XLGRUZHZXHZTLY-JOCHJYFZSA-N 449.463 4.009 5 20 IIBD C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 738774258 GFCXTJPGMUWHBC-LLVKDONJSA-N 428.338 4.113 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)cc1[N+](=O)[O-] 742028263 WCWFKQOOBHEZMD-UHFFFAOYSA-N 447.419 4.235 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)C[C@@H](C)c2ccccc2C(F)(F)F)cc([N+](=O)[O-])c1C 744005982 BMJIWLJWUIWHEE-GFCCVEGCSA-N 444.431 4.229 5 20 IIBD CCN(CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1)C(=O)OC(C)(C)C 744711500 IIAWCOJTXDCYEE-UHFFFAOYSA-N 425.913 4.357 5 20 IIBD CCOC(=O)c1nc(-c2ccccc2)oc1COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 745065768 PMGWYKBLEBVMMQ-UHFFFAOYSA-N 430.800 4.437 5 20 IIBD C[C@H](NC(=O)COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1cccc2ccccc12 747861092 RGZQQHDUVJSTCH-KRWDZBQOSA-N 447.491 4.382 5 20 IIBD CCOc1ccccc1NC(=O)[C@H](C)OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 747961118 GOLRKWZOESWACE-ZDUSSCGKSA-N 441.465 4.301 5 20 IIBD CCc1ccc([C@H](COC)NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)o1 749437236 REQPMPKGRKILRU-LBPRGKRZSA-N 431.670 4.284 5 20 IIBD CC(C)(C)c1cc[n+](/C(C(=S)NC[C@H]2CCOC2)=C(/O)c2cccc([N+](=O)[O-])c2)cc1 749589369 KQYXJAHRSISBDV-MRXNPFEDSA-O 442.561 4.017 5 20 IIBD CC[C@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)C[C@H](O)c1cccc([N+](=O)[O-])c1 750034360 ALTWZUICTHDAJF-LIRRHRJNSA-N 439.434 4.386 5 20 IIBD Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1 751632105 SLDGCLJJKVSPDW-UHFFFAOYSA-N 426.816 4.300 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)cc1[N+](=O)[O-] 752246128 DBDZPKCFNOBUSD-OXQOHEQNSA-N 438.933 4.345 5 20 IIBD C[C@H](OC(=O)c1cnn(C(C)(C)C)c1-c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] 753646899 QZNWNKQKOMMWLQ-HNNXBMFYSA-N 436.468 4.397 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCc2c1cccc2[N+](=O)[O-] 754402145 CPSAUFWBMYUROZ-SFHVURJKSA-N 425.485 4.010 5 20 IIBD C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1Br 755307603 VZSDOOGCLXKRET-ARGWCVDVSA-N 433.302 4.277 5 20 IIBD C[C@@H](C(=O)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1F 755473122 SQCWJRGZZFUOTM-QGHHPUGFSA-N 434.773 4.057 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC(C4(C)OCCO4)CC3)cc2[N+](=O)[O-])n1 756753218 BOZAYTSVEDDDPG-UHFFFAOYSA-N 449.554 4.126 5 20 IIBD O=C(NCCCc1cccc(Br)c1)c1cccc([N+](=O)[O-])c1Br 758308593 OPCIJGYQFJXRTP-UHFFFAOYSA-N 442.107 4.482 5 20 IIBD Cc1cc(C(=O)[C@@H](C)OC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c(C)n1Cc1ccco1 758738828 SHRBXBSPUOJTGM-MRXNPFEDSA-N 449.463 4.493 5 20 IIBD O=C(NCC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 760693869 RVDJWGCZJSGKRX-QGZVFWFLSA-N 436.251 4.009 5 20 IIBD Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])c2nsnc2c1 762970324 KHSVVKFWYZHFNJ-GFCCVEGCSA-N 428.470 4.215 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1ccccc1)C[C@H](O)c1cccc(C)c1 767913242 SPGXEGZPFFXQDT-QHCPKHFHSA-N 449.507 4.086 5 20 IIBD O=C(NCCc1ccc(Br)cc1F)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 769104816 IQJPALLWNUEHFH-UHFFFAOYSA-N 436.281 4.413 5 20 IIBD CN(CCC1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1)C(=O)OC(C)(C)C 769758374 CYGKLFIELGMYGA-UHFFFAOYSA-N 425.913 4.357 5 20 IIBD C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 770004758 WGPLMOZAICDYOG-MRXNPFEDSA-N 432.908 4.003 5 20 IIBD COc1cccc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1F 771239419 SUJPHWSYVABYDQ-UHFFFAOYSA-N 442.369 4.115 5 20 IIBD O=C(NCc1ccc(Cl)nc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 772474978 PNLVDHFBBYPIFM-UHFFFAOYSA-N 448.913 4.111 5 20 IIBD O=C(OCc1ccn(-c2cccc(F)c2)n1)c1sc(Br)cc1[N+](=O)[O-] 773606999 ZYONQVKIIDTDJH-UHFFFAOYSA-N 426.223 4.101 5 20 IIBD C[C@@H](CCS(C)(=O)=O)OC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 774838492 BDPHKGVERUCZEA-LBPRGKRZSA-N 427.862 4.021 5 20 IIBD CN(C)C1CCN(c2ccc(NC(=O)c3ccc(Br)c([N+](=O)[O-])c3)cc2)CC1 774843577 SZAOTMDJUKPFDI-UHFFFAOYSA-N 447.333 4.140 5 20 IIBD CSc1cccc(C(=O)N(c2cccc(O)c2)S(=O)(=O)c2ccccc2)c1[N+](=O)[O-] 777326409 OORXBLPDBLHGJM-UHFFFAOYSA-N 444.490 4.058 5 20 IIBD CCOc1ccc(-c2noc(COC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)n2)cc1 778889780 BTBGNMZDPAWWIA-UHFFFAOYSA-N 435.339 4.002 5 20 IIBD O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1ccc(C(F)(F)F)c(F)c1 784500967 OAZXXFJSRDOHHQ-UHFFFAOYSA-N 427.354 4.221 5 20 IIBD C[C@@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ncc(Cl)cc1Cl 785938127 ZUTKASNELZVVES-MRVPVSSYSA-N 432.647 4.063 5 20 IIBD Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1 787061067 UNPDKRBBMCBEOY-UHFFFAOYSA-N 432.358 4.313 5 20 IIBD O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1cc(Cl)ccc1[N+](=O)[O-] 787160130 RXRUKYLTZXMDGU-UHFFFAOYSA-N 444.900 4.461 5 20 IIBD Cc1c(NC(=O)N2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)cccc1[N+](=O)[O-] 787815018 SRBPRKLUWORMHK-UHFFFAOYSA-N 439.390 4.317 5 20 IIBD C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 790200631 DEHPNXKYNJJVAB-MRXNPFEDSA-N 441.487 4.471 5 20 IIBD Cc1c(C(=O)Nc2ccc(NC(=O)c3ccccc3)cn2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 794202747 IBQUEQOTWXMQLT-UHFFFAOYSA-N 435.396 4.019 5 20 IIBD O=C1CN(CN(Cc2ccc(F)cc2Cl)CC2CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 795647435 NVMOYJIEHYNTKL-UHFFFAOYSA-N 446.866 4.026 5 20 IIBD C[C@@H](OC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(Br)c1 796441533 ABTBKBHLZCRLRJ-GFCCVEGCSA-N 435.274 4.205 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1cc(C(F)(F)F)ccc1Br 797357109 UXBYFRZCTDKETA-UHFFFAOYSA-N 443.179 4.365 5 20 IIBD CC(C)(C)Nc1ccccc1NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 799125327 CLNBEIYBQMEOHL-UHFFFAOYSA-N 428.308 4.369 5 20 IIBD O=C(COC(=O)c1ccc(Oc2ccccc2)cn1)Nc1ccc(Cl)c([N+](=O)[O-])c1 799554113 YEUKKEOAWBQUSD-UHFFFAOYSA-N 427.800 4.231 5 20 IIBD CC[C@](O)(C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(Cl)c1 800320270 VPGFJBYUZQOLPS-JEOXALJRSA-N 441.267 4.070 5 20 IIBD NC(=O)[C@@H]1CCCN(Cc2ccc(NCc3cc(Cl)cc(Cl)c3[N+](=O)[O-])cc2)C1 811470606 HKTLVTJCVFJOMH-CQSZACIVSA-N 437.327 4.211 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@H]21 814176670 SFXBWUBZSKGLEW-CZUORRHYSA-N 427.448 4.028 5 20 IIBD CC(C)C(=O)Nc1ccc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 815512318 PQYODTQPLVNDCI-UHFFFAOYSA-N 438.358 4.248 5 20 IIBD O=C(Cc1c[nH]c2cccc(Cl)c12)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 815942373 HIMGLOFWLAUORD-HNNXBMFYSA-N 441.871 4.120 5 20 IIBD C[C@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)Nc1ccc2c(c1)OCCCO2 827006353 PEGBGQLBCMYSLL-NSHDSACASA-N 431.495 4.485 5 20 IIBD CCN(c1ccc(NC(=O)COC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1)C(C)C 917264593 KKIHLQXYQZSZEL-UHFFFAOYSA-N 425.441 4.371 5 20 IIBD Cc1c(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cnn1C(C)(C)C 918633099 MOJZDUOFSJWFCY-SFHVURJKSA-N 442.516 4.097 5 20 IIBD C[C@H](Nc1ccc(C(=O)OCc2cccc(C(=O)N(C)C)c2)cc1[N+](=O)[O-])c1ccccn1 920545327 PUQQVJLTWUTBOP-INIZCTEOSA-N 448.479 4.222 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 1116690716 NQQIJKUFLZXXQX-UHFFFAOYSA-N 425.485 4.160 5 20 IIBD Cc1nn(Cc2ccc(C(=O)OCc3csc(C(F)(F)F)n3)cc2)c(C)c1[N+](=O)[O-] 1116828418 JLSYEOYSTOWYHC-UHFFFAOYSA-N 440.403 4.289 5 20 IIBD CC(C)c1oc(-c2ccccc2)nc1C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1318131375 YJSFKJXRHWFGBR-UHFFFAOYSA-N 434.496 4.331 5 20 IIBD CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1cc2ccccc2[nH]1 1325277736 OZHZVJXOOKLQSJ-UHFFFAOYSA-N 434.500 4.398 5 20 IIBD CCS(=O)(=O)c1cccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 1325948318 UYAMLVYNBKKCOI-UHFFFAOYSA-N 442.443 4.005 5 20 IIBD Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4n[nH]cc4[N+](=O)[O-])CCC3)cc2)c1 1786614579 BCVGMHWNKGRGAJ-UHFFFAOYSA-N 447.495 4.007 5 20 IIBD C[C@]1(C(=O)Nc2ccc(C3(NC(=O)Cc4cccc([N+](=O)[O-])c4)CCC3)cc2)CC1(F)F 1792241729 JOHLYWSXGYNYOD-OAQYLSRUSA-N 443.450 4.317 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCC(F)(F)F)C2 1800698360 QTJCDZZCTDDTJV-BTTYYORXSA-N 445.413 4.027 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCC2(CCCN(C(=O)CC3CCCC3)C2)CC1 1808938569 GGWIGAGYEYODEF-UHFFFAOYSA-N 445.535 4.467 5 20 IIBD CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3cc([N+](=O)[O-])ccc3F)CC2)CCC1 1824946019 BISMJKMTQJULOY-OAQYLSRUSA-N 445.535 4.086 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(C)CCCC3)CC2)ncc1[N+](=O)[O-] 1827827696 SNSJEARUTUEYPP-FQEVSTJZSA-N 442.560 4.112 5 20 IIBD Cc1cc(C)c(NC(=O)CN(C)C(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)c1 14808716 QHQVJTJJKXGLCG-UHFFFAOYSA-N 441.531 4.177 5 20 IIBD Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)ccc1[N+](=O)[O-] 16016832 CUDHHPXMHJLSED-UHFFFAOYSA-N 431.514 4.109 5 20 IIBD CC(=O)Nc1cc2ccccc2cc1C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 16413272 XBOIFVVRWNRCNG-UHFFFAOYSA-N 441.827 4.155 5 20 IIBD O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)Nc1ccccc1[N+](=O)[O-] 21743734 XQVCGBWNTQUHCV-UHFFFAOYSA-N 435.465 4.225 5 20 IIBD C[C@H](Sc1nnc(COc2ccc(Cl)cc2)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 22083613 KKVJEFXRUKEEMY-LBPRGKRZSA-N 447.904 4.075 5 20 IIBD CN1c2ccccc2C(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 24098627 ZGOJWXYEVBYPFI-QHCPKHFHSA-N 425.448 4.326 5 20 IIBD O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 28492404 FCQQUPDFQPZAHA-UHFFFAOYSA-N 445.884 4.230 5 20 IIBD O=C(NC[C@@H]1CCCO1)c1cccc(CNC(=O)c2cc3ccccc3c3cccnc23)c1 63318075 PYGPZCKFPGBWCM-NRFANRHFSA-N 439.515 4.227 5 20 IIBD O=C([C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)N1CCc2ccc([N+](=O)[O-])cc21 71881079 UOIFVDOVZCFDDT-KRWDZBQOSA-N 434.279 4.096 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCCCCN(C)c3ccccc3)cc2)c(C)c1[N+](=O)[O-] 108817653 OBTXLIQPMNFOBM-UHFFFAOYSA-N 435.528 4.103 5 20 IIBD Cc1cc(NC(=O)Cc2csc(-n3c(C)ccc3C)n2)n(-c2ccc([N+](=O)[O-])cc2)n1 195610603 QDPDEGNXHQIDNC-UHFFFAOYSA-N 436.497 4.134 5 20 IIBD COc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)N2CCOCC2)cc1 215857038 FXBCTAXNPZMZDQ-IBGZPJMESA-N 425.407 4.108 5 20 IIBD O=[N+]([O-])c1cc(Br)cnc1N1CCO[C@H](c2ccccc2Br)C1 301630959 BNMDXFPUJKSPIY-AWEZNQCLSA-N 443.095 4.093 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N[C@H]1CCO[C@@H](c2ccccc2)C1 302169103 KXSIPURGMRRTFY-SUMWQHHRSA-N 430.404 4.221 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)N(C)Cc2csc(Br)c2)cc1[N+](=O)[O-] 321595248 JSURVABLGHUCAJ-UHFFFAOYSA-N 439.740 4.201 5 20 IIBD CO[C@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(Cl)c1 426067569 SJYNOBOSZANQQK-MRXNPFEDSA-N 431.798 4.454 5 20 IIBD CC(C)(C)C1CCC(c2cc(NC(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)n[nH]2)CC1 426609644 AFJNKJCFZFQSEH-UHFFFAOYSA-N 447.923 4.868 5 20 IIBD CC(=O)N(c1nc(COc2ccc([N+](=O)[O-])c(CO)c2)cs1)c1ccc(C)cc1C 428099227 LWVIIWIMOJWBCJ-UHFFFAOYSA-N 427.482 4.424 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CN[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 430221271 RDMZMMHPDYESKB-NSHDSACASA-N 433.262 4.267 5 20 IIBD Cc1nc2ccc(C(=O)N[C@@H](CC(=O)OC(C)C)c3ccccc3[N+](=O)[O-])cc2s1 431190476 BBOXCTAHGJUNRJ-KRWDZBQOSA-N 427.482 4.326 5 20 IIBD Cc1csc([C@@H](C)CNc2nc(NC[C@@H](C)c3nc(C)cs3)ccc2[N+](=O)[O-])n1 433770579 GXFGCWCJWIHUBG-NEPJUHHUSA-N 432.575 4.951 5 20 IIBD COc1ccc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(I)c1 434164163 ONOVPXINJIDWKA-JTQLQIEISA-N 441.225 4.091 5 20 IIBD O=C(CN1C(=O)COc2ccccc21)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435446281 ZHGYLNAQKCAIPX-UHFFFAOYSA-N 441.490 4.172 5 20 IIBD Cc1ccccc1CN1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC1 435833762 HFNGDQDNHIPHFY-UHFFFAOYSA-N 429.495 4.087 5 20 IIBD O=C(c1cc2sccc2s1)N1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 436407361 JDOWYMCOUDUMHJ-UHFFFAOYSA-N 442.444 4.247 5 20 IIBD COC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C[C@@H](C)O1 439953474 WYRVTSJCHWXKMI-CZUORRHYSA-N 436.917 4.275 5 20 IIBD Cc1c(C(=O)N(C[C@H]2CCN(Cc3ccccc3)C2)CC(F)(F)F)cccc1[N+](=O)[O-] 440429159 JVYASDRKMNMART-SFHVURJKSA-N 435.446 4.430 5 20 IIBD CN(C)C(=O)c1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1Cl 446101619 UXIMXNYGNNOCRJ-UHFFFAOYSA-N 432.683 4.026 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCc3cccc(Cl)c32)c(Br)c1 463372792 BBRRPVHOHSKZIF-UHFFFAOYSA-N 431.695 4.152 5 20 IIBD Cc1cc(C(F)(F)F)nn1CC(=O)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] 464438800 RORBWOBVOHARID-UHFFFAOYSA-N 434.374 4.336 5 20 IIBD CC(C)CC(=O)Nc1ccc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1F 464636817 YHIGYGDYGDBHRF-UHFFFAOYSA-N 443.475 4.402 5 20 IIBD COCc1ccc([C@@H]2CCCN2Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])o1 467022367 LWWRWOTWNNKCOD-HNNXBMFYSA-N 426.416 4.324 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 468809097 CMWNDUDCWHDJPE-LJQANCHMSA-N 431.901 4.443 5 20 IIBD CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)c1 468941844 JNEOCRZVGPSXOL-UHFFFAOYSA-N 426.860 5.033 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@@H](c2ccc(C)cc2)c2ccccn2)c(C)c([N+](=O)[O-])c1 470111519 ATSAQJIINHGELH-NRFANRHFSA-N 434.452 4.304 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2cccc(OC(F)(F)F)c2)cc1OC 470715096 WRPNAQVINHMODE-UHFFFAOYSA-N 428.363 4.173 5 20 IIBD C[C@H](Cc1ccccc1Br)NC(=O)c1ccc([N+](=O)[O-])cc1Br 470746051 MOYLZJBLYUMCIN-SNVBAGLBSA-N 442.107 4.481 5 20 IIBD CCC[C@@H]1CCc2ccccc2N1C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O 471257978 HULSFRKHEOESFV-GOSISDBHSA-N 432.480 4.211 5 20 IIBD CCc1c(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2)cnn1-c1ccc(Cl)cc1 471840514 SNFUEMCPQPQJSU-UHFFFAOYSA-N 428.832 4.035 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCSC[C@@H]3c3nccs3)cc2[N+](=O)[O-])CC1 472087484 SEYOYOCHRAXEBH-GOSISDBHSA-N 432.571 4.218 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)cc1 472703412 LYPJCWQHFFUPKG-QGZVFWFLSA-N 446.472 4.234 5 20 IIBD O=C(NCC1(c2ccc(F)cc2Cl)CCCC1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 472709098 DSDVTJRHKSYEIM-UHFFFAOYSA-N 437.830 4.093 5 20 IIBD Cn1cc(CNCCc2cccc(OCC(F)(F)F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 475636256 UMHLWIJZRZZVFX-UHFFFAOYSA-N 434.418 4.269 5 20 IIBD C[C@H]1CCCCN1CCC1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 477142508 WGVJYLDPJLHOKV-IBGZPJMESA-N 428.577 4.312 5 20 IIBD COCCCC[C@@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)c1ccccc1 480588942 LBKQBHILDQJLKR-HXUWFJFHSA-N 447.557 4.349 5 20 IIBD CCN([C@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] 481446772 CFTHVJYRLFXHMF-OAQYLSRUSA-N 425.510 4.407 5 20 IIBD CSc1cccc(C(=O)N[C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c1[N+](=O)[O-] 486239803 MMSUMXQUYWCNCW-HNNXBMFYSA-N 442.541 4.064 5 20 IIBD CC(C)n1c([C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)nc2ccccc21 487413482 OBEDHFLMTUMGDO-MRXNPFEDSA-N 428.514 4.094 5 20 IIBD C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 488877658 HUZYLFWNLQXTMU-LBPRGKRZSA-N 435.937 4.193 5 20 IIBD COc1cc(CNC[C@@H]2CCN(c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OCC(F)F 492196391 NSLNIZLJTVNERB-AWEZNQCLSA-N 439.434 4.003 5 20 IIBD COc1ccc(C(=O)C2CCN(C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 493250656 DRDXDHMMRHQKCI-INIZCTEOSA-N 425.485 4.277 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc3nc(C(C)C)sc3c2)cc1[N+](=O)[O-] 493916439 JUXOMHVRUZXJAB-CYBMUJFWSA-N 426.498 4.452 5 20 IIBD Cc1cccc(Oc2ccc(NC(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)cc2)c1 498326468 QSSBTJXWRACXAD-UHFFFAOYSA-N 434.452 4.133 5 20 IIBD Cc1cccc([C@@H](NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c2ccccn2)c1 498601971 PRYMGPLIUNHOTQ-HSZRJFAPSA-N 428.448 4.131 5 20 IIBD COCc1cc(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)ccc1F 502342801 QRWDVLXQJWBPTG-OAHLLOKOSA-N 438.459 4.378 5 20 IIBD CCOc1ccc([C@H](NC(=O)Cn2cc([N+](=O)[O-])nc2C)c2cccc(Cl)c2)cc1 502353148 JTXOCSFNIOFDJK-NRFANRHFSA-N 428.876 4.058 5 20 IIBD CC(=O)Nc1cccc(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 507071811 ONSZJKYJEMYNTO-HNNXBMFYSA-N 433.468 4.051 5 20 IIBD O=C(Nc1ccccc1Br)C1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 507981562 CCHANTRDKRUGBS-UHFFFAOYSA-N 436.281 4.347 5 20 IIBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nc3c(Cl)cccc3[nH]2)cc1 508441295 GUTBRTGYXUTRNO-UHFFFAOYSA-N 449.854 4.160 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 510457923 IEOBRKRIZXTTLZ-DLBZAZTESA-N 428.432 4.369 5 20 IIBD Cc1cc(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)n(-c2ccc(C(F)(F)F)cn2)n1 510750853 IMHANJZGLKMNSP-GFCCVEGCSA-N 434.378 4.385 5 20 IIBD C[C@H](NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1)c1cccc([N+](=O)[O-])c1 511928264 UOTZFVNFTKHFNM-AWEZNQCLSA-N 443.456 4.026 5 20 IIBD COc1ccc(C(=O)NCC(=O)N[C@H](C)c2ccccc2Oc2ccccc2)cc1[N+](=O)[O-] 512820483 JAODKUWSQSNONT-MRXNPFEDSA-N 449.463 4.003 5 20 IIBD C[C@H](NCC1(c2ccc3c(c2)OCO3)CCCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] 513195488 COACLDNCAHWLPK-INIZCTEOSA-N 425.485 4.142 5 20 IIBD C[C@@H]1CCCN(Cc2ccccc2CN[C@H](c2cccc([N+](=O)[O-])c2)c2nccn2C)C1 514092902 HAGJWXUNIPUUOW-NTKDMRAZSA-N 433.556 4.439 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCC[C@@H]1c1ccc(F)cc1 514945069 VLSSQWUWBNSBMD-LJQANCHMSA-N 433.505 4.250 5 20 IIBD CC(C)CN(Cc1ccccc1F)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 515371286 KHSINBHKVJMBJN-UHFFFAOYSA-N 443.504 4.312 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cccc(OCc2ccc(F)cc2)c1)c1cccc([N+](=O)[O-])c1 516442973 IJDNKHKAHJDHTR-HNNXBMFYSA-N 437.427 4.129 5 20 IIBD COc1ccc(CN2CCC[C@H]3CN(C)CC[C@@H]32)cc1OCc1ccc([N+](=O)[O-])cc1 516686133 QPGPQEMOCARUQU-UNMCSNQZSA-N 425.529 4.099 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 519029228 CSTXROCUASLOSP-HNNXBMFYSA-N 447.333 4.025 5 20 IIBD O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 520970872 GPGYNCOVTHLUSG-UHFFFAOYSA-N 443.916 4.044 5 20 IIBD O=C(c1ccccc1)N1CCC[C@@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)C1 521281993 CQKYCGLARLDECB-GOSISDBHSA-N 449.429 4.038 5 20 IIBD C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 521364196 KHSGQDWVAFYESR-JLTOFOAXSA-N 426.860 4.036 5 20 IIBD CCN(Cc1ccc(Cl)cc1)C(=O)[C@@H](CCSC)NC(=O)c1cccc([N+](=O)[O-])c1 521750063 FTAOVGRSAABLQU-LJQANCHMSA-N 449.960 4.148 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc([C@@H](C)N2CCOCC2)cc1 522236633 VUHDIACQUARDCG-CABCVRRESA-N 433.892 4.047 5 20 IIBD CCN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1cccc(C(F)(F)F)c1 522678145 QLQBZXYSNUEJNL-AWEZNQCLSA-N 437.418 4.343 5 20 IIBD CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 523497245 VQHXVRIVZISMRN-FDDCHVKYSA-N 437.540 4.033 5 20 IIBD Cc1ccc([C@@H](C)NCc2ccc(OCCN3CCOCC3)c(Cl)c2)cc1[N+](=O)[O-] 532346664 YWIFNVOCNAQROE-QGZVFWFLSA-N 433.936 4.118 5 20 IIBD Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 534010009 XTHOSMQAXFPTLT-UHFFFAOYSA-N 427.417 4.206 5 20 IIBD CN1CCC(N(C)[C@@H]2CCCC[C@H]2N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 535089473 MRWNIPZLZHONDM-WOJBJXKFSA-N 437.972 4.049 5 20 IIBD O=C(Nc1ccccc1)c1ccc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)cc1 536246347 UPLGCUNLTIGFQY-UHFFFAOYSA-N 427.420 4.285 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 536494163 QHXMZMKVYSXIBY-FOIQADDNSA-N 434.899 4.222 5 20 IIBD C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 538346403 ORJAOTCVHKCJNH-CQSZACIVSA-N 425.514 4.350 5 20 IIBD O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 539154329 XNUWUKZPWCQJCC-GHTZIAJQSA-N 447.894 4.250 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@H](c4n[nH]c(C5CCCCC5)n4)C3)n2)c1 540864523 JZQGQXUTXFYNBZ-KRWDZBQOSA-N 437.504 4.190 5 20 IIBD COC(=O)[C@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(Cl)cc1Cl 541331461 MTLDOHZLWRKKNN-GOSISDBHSA-N 440.283 4.043 5 20 IIBD O=[N+]([O-])c1ccc(N2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)c2ccncc12 541995454 SFCQJQGEZHGGGQ-WAIKUNEKSA-N 428.452 4.146 5 20 IIBD CN(c1ccc(OCCOc2ccccc2[N+](=O)[O-])cc1)S(=O)(=O)c1ccc(F)cc1 542054730 VBEKYFVOWDPBEY-UHFFFAOYSA-N 446.456 4.017 5 20 IIBD Cc1cc(C(=O)NCC(=O)N2CC[C@H](C)[C@@H]2c2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] 542088290 NLFCZNNQBBWYOA-RNODOKPDSA-N 449.429 4.262 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](c1ccccc1)c1nc2ccccc2n1C 544336757 NNSUZYKUULLTRT-JOCHJYFZSA-N 445.479 4.079 5 20 IIBD O=[N+]([O-])c1cccc(/C=C\c2nc(-c3cc(C(F)(F)F)ccc3-n3cncn3)no2)c1 545763056 AZTLMAGJWNAFSL-DAXSKMNVSA-N 428.330 4.415 5 20 IIBD CC(C)(C)c1cc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])n(-c2ccc(F)cc2)n1 546149511 YKGLCORFJJDTFN-UHFFFAOYSA-N 432.477 4.159 5 20 IIBD Cc1nnc([C@H](C)N[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)s1 546756118 NCUUOPCJCKQSPS-GTNSWQLSSA-N 431.905 4.439 5 20 IIBD CC(=O)N[C@@H](Cc1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1)c1ccc(Br)cc1 546985384 FWXXKHARVPQPRH-INIZCTEOSA-N 445.273 4.136 5 20 IIBD Cn1c(SCc2cccc(OCC(F)(F)F)c2)nc2cc([N+](=O)[O-])ccc2c1=O 547232558 SSDNODJZVMFHMB-UHFFFAOYSA-N 425.388 4.075 5 20 IIBD COc1ccc(OC2CCN(C(=O)c3cc([N+](=O)[O-])cc(Br)c3C)CC2)cc1 555792231 OIDJALUAGMKHNG-UHFFFAOYSA-N 449.301 4.358 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 557566510 SDUQGAQQFNLYEJ-MVERNJQCSA-N 438.527 4.186 5 20 IIBD Cn1cc(CNCc2cccc(COCC(F)(F)F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 557844146 JPXCKQWISDOVBU-UHFFFAOYSA-N 434.418 4.364 5 20 IIBD C[C@H]1C[C@H](CCNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C[C@@H](C)O1 558813412 GUTDEYNTSWBBKW-CLLJXQQHSA-N 441.315 4.411 5 20 IIBD CC(C)(NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccccc1[N+](=O)[O-] 563734855 RVIXKBIGNRDXQN-UHFFFAOYSA-N 439.493 4.061 5 20 IIBD Cc1nc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)ccc1Br 580729523 DXEQIYOZALAUDK-UHFFFAOYSA-N 429.068 4.384 5 20 IIBD COC(=O)[C@](C)(NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 582337998 SCXPSZGUHZYGSN-NSPYISDASA-N 425.268 4.210 5 20 IIBD C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](C)c1noc(-c2ccc(Cl)cc2)n1 583532957 YIUBATOWEUCBPO-QWHCGFSZSA-N 429.864 4.366 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 603492026 MJRHXTQRIAAKCN-LBPRGKRZSA-N 437.930 4.426 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 603973697 IBZRRDMZSAQFDR-UHFFFAOYSA-N 442.453 4.048 5 20 IIBD COc1ccc(CC(=O)Nc2cc(C)nn2-c2ccccc2C(F)(F)F)cc1[N+](=O)[O-] 609017066 RNORFAOSCNLVTM-UHFFFAOYSA-N 434.374 4.298 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 609186760 OHWYBOYPONMVTJ-KRWDZBQOSA-N 427.457 4.430 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1 609231807 ORIVROUZKDLGLH-UHFFFAOYSA-N 426.319 4.058 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(CN(C(C)=O)C(C)C)cc2)cc1OC 609725829 BPBIURWJYKKBSD-UHFFFAOYSA-N 429.473 4.011 5 20 IIBD O=C(COC[C@@H]1CCOC1)Nc1cc([N+](=O)[O-])ccc1Nc1cccc(C(F)(F)F)c1 609784099 XIDICMZVVASTSU-CYBMUJFWSA-N 439.390 4.349 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2CSc3ccccc32)cc1[N+](=O)[O-] 609795707 XJEAEPZTXLRCIW-LJQANCHMSA-N 447.516 4.469 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H](CO)Cc3c(F)cccc3Cl)cs2)c1 610271758 BSFCWJLIIKTPRQ-ZDUSSCGKSA-N 435.908 4.452 5 20 IIBD C[S@@](=O)c1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 610575094 AMXFFCLSVIDHHJ-JGCGQSQUSA-N 446.532 4.475 5 20 IIBD CCOc1cc(C(=O)N2CCc3sc(Br)cc3C2)c([N+](=O)[O-])cc1OC 610934243 ADCSOTKIIPAKJS-UHFFFAOYSA-N 441.303 4.025 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 611529764 FTFOOLNTQNKICG-HXUWFJFHSA-N 440.887 4.264 5 20 IIBD COC(=O)c1cc(NC(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c(C)c([N+](=O)[O-])c1 617015709 BQHAZSXCYXNXGM-UHFFFAOYSA-N 425.363 4.373 5 20 IIBD COc1ccc2c(c1)OCCN(C(=O)c1ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c1)C2 619819709 OROYSSAEGDQUOP-INIZCTEOSA-N 448.479 4.206 5 20 IIBD COc1ccccc1NC(=O)c1ccc(NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 727659943 XAXUIVCNBHHLQE-UHFFFAOYSA-N 435.436 4.046 5 20 IIBD COc1ccc(CC(=O)NC2CCN(c3ccc(C(C)(C)C)cc3)CC2)cc1[N+](=O)[O-] 727673171 LGJBMFCTVMRIEJ-UHFFFAOYSA-N 425.529 4.229 5 20 IIBD Cc1c(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)nnn1-c1cccc(Br)c1 727712527 YZLBRQZEDJAPNG-UHFFFAOYSA-N 436.653 4.152 5 20 IIBD CC(C)(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 728542452 KJZFWILGMNVJFK-UHFFFAOYSA-N 442.516 4.240 5 20 IIBD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1F 728999971 RGJZAGVHDGVDPO-GFCCVEGCSA-N 429.429 4.350 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1C 730688764 LIZIBBUIGKEMOF-CABCVRRESA-N 443.308 4.127 5 20 IIBD Cc1c(C(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 733244447 POSPEBMNLZLZBS-UHFFFAOYSA-N 429.776 4.299 5 20 IIBD COc1ccccc1NCC(=O)O[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 735933139 JMFXKRDYRLSTRZ-QHCPKHFHSA-N 449.463 4.247 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC(=O)c1cccc(OC(F)F)c1 738634465 CJQSCCRHKQDGSQ-JTQLQIEISA-N 429.759 4.043 5 20 IIBD COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 741237963 CRTYFQZIHPDCIE-OAHLLOKOSA-N 442.903 4.088 5 20 IIBD O=C(c1nc(NCc2ccco2)ncc1Cl)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 741956825 INMDUVIINVZZIN-SFHVURJKSA-N 445.888 4.131 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 742506253 GITCOGRVVKMASL-FQEVSTJZSA-N 442.516 4.328 5 20 IIBD CCOc1cc(N2CCC(OC(=O)CCc3cccc(F)c3F)CC2)ccc1[N+](=O)[O-] 744202731 DIRGJXTYXKTLII-UHFFFAOYSA-N 434.439 4.417 5 20 IIBD COc1ccccc1-c1c[nH]cc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 744922166 NAUWDOIODTTWTE-GFCCVEGCSA-N 443.843 4.436 5 20 IIBD C[C@@H](C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)s1 745641757 WWUNFTQKPKZKQP-MRVPVSSYSA-N 447.694 4.358 5 20 IIBD CCOC(=O)c1cc(C(=O)O[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc([N+](=O)[O-])c1 746060243 OKZQFIPUIZJHHE-NSHDSACASA-N 445.815 4.393 5 20 IIBD O=C(O[C@H]1CCN(c2ccccc2Cl)C1=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 747123008 CXOCXHVJHOJMGG-HNNXBMFYSA-N 428.750 4.229 5 20 IIBD Cc1c(C(=O)Nc2nc3ccccc3n2CCc2ccccn2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 748687553 AORXNUXLDRBFSG-UHFFFAOYSA-N 446.423 4.051 5 20 IIBD O=[N+]([O-])c1cccc([C@@H](O)CSc2nnc(-c3ccncc3)n2Cc2ccccc2)c1 749641926 VKGNIHHZHQUGEM-FQEVSTJZSA-N 433.493 4.122 5 20 IIBD CC(C)(C)OC(=O)N(CC1CC1)C1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 750832976 BEBKOYPDAVANNV-UHFFFAOYSA-N 446.548 4.035 5 20 IIBD CCCNC(=O)c1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cc1 750841951 WWANDXOCMSIPPJ-UHFFFAOYSA-N 440.681 4.403 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c(F)c1 751643427 JDPYJDVYOWKZHP-NSHDSACASA-N 426.853 4.358 5 20 IIBD CCOC(=O)[C@@H](c1ccc(Cl)cc1)N(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1CC1 753137178 MBAOWBJVBCYKAA-GOSISDBHSA-N 447.831 4.065 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 755369203 AGDDPTBEWVWIBQ-UHFFFAOYSA-N 429.274 4.341 5 20 IIBD CCN(CC)[C@@H](C(=O)OC1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1)c1ccccc1 755693996 UNCHTFATZLDUBE-HSZRJFAPSA-N 441.528 4.199 5 20 IIBD C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1ccc([S@](C)=O)cc1 756039581 IQDXVHXIVUQFHT-IJRMKIOGSA-N 445.722 4.239 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 758002245 LHLFDDIQUAZMNX-SECBINFHSA-N 440.243 4.151 5 20 IIBD CCN(C(=O)c1cc([N+](=O)[O-])ccc1Br)[C@H]1CCN(Cc2ccccc2)C1 760658139 RPJCPYJHZPZVQJ-KRWDZBQOSA-N 432.318 4.094 5 20 IIBD O=C(COC(=O)c1cc2ccccc2cc1OC(F)F)Nc1cc([N+](=O)[O-])ccc1F 761511670 JSJLAAUYEHKWTK-UHFFFAOYSA-N 434.326 4.284 5 20 IIBD CC(C)(C)OC(=O)NCc1ccc(-c2noc(-c3n[nH]c4ccc([N+](=O)[O-])cc34)n2)cc1 762303537 CORPDWLHFZWVHB-UHFFFAOYSA-N 436.428 4.213 5 20 IIBD O=C(NC[C@H](O)c1cccc(OCc2ccccc2)c1)c1cc(Cl)ccc1[N+](=O)[O-] 762530232 ZJPAPBAWBUHISR-NRFANRHFSA-N 426.856 4.291 5 20 IIBD CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 762657292 AALLSRPIEZZQDJ-HSZRJFAPSA-N 443.519 4.169 5 20 IIBD C[C@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccc(N2CCCC2)cc1 763002349 ZUWKPXZMFJMQHG-HNNXBMFYSA-N 443.475 4.182 5 20 IIBD COC(=O)c1occc1CN(C(=O)c1cc(F)c([N+](=O)[O-])cc1F)[C@@H](C)c1ccccn1 763437406 ASUJDJZVDILXLU-LBPRGKRZSA-N 445.378 4.051 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(c2ccc(N(C)C)cc2)CC1 764274238 WUEDLCFNEJGIKP-UHFFFAOYSA-N 428.558 4.172 5 20 IIBD C[C@H](OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1nc2cc(Cl)ccc2n1C 764278950 KUBXUWFNZKQFAC-LBPRGKRZSA-N 425.832 4.239 5 20 IIBD C[C@H](Nc1ccc(C(=O)O[C@H]2CCOC3(CCOCC3)C2)cc1[N+](=O)[O-])c1ccccn1 765682896 HPRYAOCAOLXVMI-WMZOPIPTSA-N 441.484 4.048 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 767140716 WKYPKJZKLGUVOF-INIZCTEOSA-N 449.429 4.080 5 20 IIBD CC(=O)[C@H](Cc1cccc(Cl)c1F)OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 768650829 YESJLNHGHMXRRM-INIZCTEOSA-N 438.795 4.269 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)Cc1ccccc1I 771244619 UOCQJHJTTDYSTH-UHFFFAOYSA-N 444.656 4.054 5 20 IIBD O=C(OCc1ccc(OCc2ccccc2F)nc1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 772137427 PENJUWDLCXFDLJ-UHFFFAOYSA-N 449.394 4.319 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CSc1nnc(-c3cccs3)n1C1CC1)CC2 773990321 NLWHPJUOIBABID-UHFFFAOYSA-N 441.538 4.240 5 20 IIBD O=C(O[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1csc([N+](=O)[O-])c1 776375379 DUMGQYHHEWTSBX-AWEZNQCLSA-N 428.388 4.023 5 20 IIBD CSc1cccc(C(=O)O[C@@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)c1[N+](=O)[O-] 777073217 BSCOWFYTGZZTMN-ZDUSSCGKSA-N 430.482 4.339 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cc(O)cc([N+](=O)[O-])c1 779356905 QGCWINKMUOMKEV-IBGZPJMESA-N 427.457 4.455 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCC(c2ccccc2Br)CC1 784187573 TWCXDBAZKLWKFD-UHFFFAOYSA-N 443.301 4.113 5 20 IIBD COc1cccc(NC(=O)c2ccccc2NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)c1 790546784 NWMGXYHGGWTZNN-UHFFFAOYSA-N 435.436 4.425 5 20 IIBD COc1cc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)cc([N+](=O)[O-])c1C 790764799 DSDZSRSJLDNROI-LJQANCHMSA-N 426.494 4.349 5 20 IIBD CC(C)(C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)c1ccc([N+](=O)[O-])cc1 791244935 NURPQNIJZPXLKL-UHFFFAOYSA-N 448.273 4.128 5 20 IIBD COc1ccccc1C(C)(C)C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791252541 ZDSUCDIGKITNPN-UHFFFAOYSA-N 433.302 4.228 5 20 IIBD C[C@@H](OC(=O)c1cc(Cl)cc(F)c1N)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 791476914 HEDLNDGQUSJPCX-SSDOTTSWSA-N 449.744 4.172 5 20 IIBD O=C(c1nc(Br)ccc1F)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 791511542 YSFSVFJZJROXHC-UHFFFAOYSA-N 436.159 4.096 5 20 IIBD COc1c(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cccc1[N+](=O)[O-] 793254971 NALKKBRLKHYJTQ-UHFFFAOYSA-N 426.816 4.156 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N(CC2CC2)C2CCC2)cc1 794392763 YYLPEKVKHKHWPC-UHFFFAOYSA-N 444.509 4.076 5 20 IIBD CCOC(=O)/C(=C/c1ccc(OCC(F)(F)F)c(OC)c1)c1ccc([N+](=O)[O-])cn1 794951237 XWHIFHQLMWYVDV-RIYZIHGNSA-N 426.347 4.043 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 796389821 AWSHJLDQPHXQGN-DLBZAZTESA-N 439.342 4.207 5 20 IIBD CN1C(=O)C[C@@H](COC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@H]1c1cccc(Cl)c1 796910465 IHLHTHIVFGJIQB-MGPUTAFESA-N 430.888 4.289 5 20 IIBD Cc1cc(OCC(=O)Nc2cccc3c2CCN3C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] 797464630 LEAMLLWFSZYLPF-UHFFFAOYSA-N 427.457 4.218 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@H]1C[C@H]1c1ccc(Br)cc1 798011441 VMUOXGAWLLMEIZ-SWLSCSKDSA-N 427.657 4.365 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2cn3cc(Cl)cc(Cl)c3n2)cccc1[N+](=O)[O-] 799587513 AYGVYJOXEAKUEZ-JTQLQIEISA-N 437.239 4.042 5 20 IIBD O=C(c1ccccc1C(F)(F)F)N1CCC(Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 804622839 MTSLRJDUWNAOEL-UHFFFAOYSA-N 438.362 4.239 5 20 IIBD CC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2ccccc2)C1 804692846 OVOUTEJDDHHATJ-VQTJNVASSA-N 425.485 4.295 5 20 IIBD O=[N+]([O-])c1ccc(N2CCCCC2)c(-c2nc(Cc3ccc(-n4cccn4)cc3)no2)c1 809273452 TXZBVJLUAXGMCY-UHFFFAOYSA-N 430.468 4.412 5 20 IIBD C[C@H]1[C@@H](C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1C(=O)OC(C)(C)C 811220278 ZTCJFTGGCAVUHR-GUYCJALGSA-N 447.513 4.407 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCN(c3ncnc4sc([N+](=O)[O-])cc34)C2)C1 814373976 AQSSUCGWBZCNKE-HUUCEWRRSA-N 447.561 4.463 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1)N1CCC[C@@H](O)CC1 819324399 PISOOASKFONUTM-JOCHJYFZSA-N 437.540 4.041 5 20 IIBD COC(=O)c1c(F)ccc(Cl)c1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 821665335 GGNZRLMIUIKQNM-UHFFFAOYSA-N 431.601 4.189 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1Cl 823290832 LUZBHUFCQRGBKV-UHFFFAOYSA-N 447.875 4.043 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1)N1CCC(CCc2ccccc2)CC1 823654127 OGUFNYFWJUCFJX-UHFFFAOYSA-N 437.525 4.349 5 20 IIBD O=[N+]([O-])c1cccc(Br)c1CNc1cccc(Cl)c1N1CCOCC1 863995595 XJJOKDQSTXFZME-UHFFFAOYSA-N 426.698 4.459 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1Br)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 907695420 MVALAIUFZDNNDW-JTQLQIEISA-N 442.649 4.204 5 20 IIBD O=C(COC(=O)/C=C/c1ccccc1OC(F)(F)F)Nc1cc([N+](=O)[O-])ccc1Cl 914940192 GSJRNZUNWATIGI-VMPITWQZSA-N 444.749 4.342 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 915132629 DTWHHOWVRMTSHI-UHFFFAOYSA-N 436.409 4.065 5 20 IIBD CCNc1ccc(C(=O)OCc2nnc(-c3ccccc3Br)o2)cc1[N+](=O)[O-] 916587526 WXLMACOPPHWVLD-UHFFFAOYSA-N 447.245 4.196 5 20 IIBD Cc1ccc(-c2noc(COC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])n2)cc1 917258717 BIJGFUSLKVZBRW-UHFFFAOYSA-N 437.330 4.251 5 20 IIBD COc1c(Br)cc(Cl)cc1S(=O)(=O)Oc1cc([N+](=O)[O-])ccc1C 917907549 WJAAYVPRBMNSES-UHFFFAOYSA-N 436.667 4.095 5 20 IIBD COc1ccccc1[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])NC(=O)OC(C)(C)C 918331531 UQCUEXNFRPWMFO-INIZCTEOSA-N 449.891 4.253 5 20 IIBD O=C(/C=C\c1ccccc1OC(F)(F)F)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 919084469 PQBPMHNHZHCGBL-YFHOEESVSA-N 435.314 4.300 5 20 IIBD COc1cc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)c([N+](=O)[O-])cc1OCC(F)(F)F 921274744 OOXJHXYUSXFPJZ-AWNIVKPZSA-N 440.305 4.028 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)N(C)C(c1ccccc1)c1ccccc1 1317692626 RNLGMQZTGYENNJ-UHFFFAOYSA-N 433.464 4.041 5 20 IIBD C[C@H](NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])c1nc(C(C)(C)C)cs1 1318373967 SLATUGRSAOPLKP-VIFPVBQESA-N 448.364 4.151 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC(Cc2c(F)cccc2Cl)C1 1322438557 VZUUDTYGTBZEJS-UHFFFAOYSA-N 427.657 4.465 5 20 IIBD O=[N+]([O-])c1sccc1S(=O)(=O)N1CC2(CCC2)c2cc(Br)ccc21 1331436122 QLQZDDBPQOUWDW-UHFFFAOYSA-N 429.317 4.049 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(c1nc(-c3cnccn3)nc3sc4c(c13)CCCC4)C2 1339512276 JWSXEPZEIQFWDW-UHFFFAOYSA-N 430.493 4.456 5 20 IIBD COc1ccc(Br)c(-c2nnc([C@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)o2)c1 1341640767 SXFQCIXICYCKAG-MRXNPFEDSA-N 445.229 4.282 5 20 IIBD O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1cc([N+](=O)[O-])ccc1OC(F)F 1341926927 PIYZFBHGXOWDMR-SFHVURJKSA-N 442.422 4.248 5 20 IIBD Cc1scc(C(=O)NC2(c3ccc(NC(=O)c4n[nH]cc4[N+](=O)[O-])cc3)CCC2)c1C 1789688060 YMZLZSNWXVOPKP-UHFFFAOYSA-N 439.497 4.058 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@H]3CC=CCC3)cc2)CCC1)c1cc(O)cc([N+](=O)[O-])c1 1790468788 KWMOTGIFIUGBGM-INIZCTEOSA-N 435.480 4.404 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@@H]3C[C@]3(F)Cl)cc2)CCC1)c1cc(F)cc([N+](=O)[O-])c1 1791677514 LVHAWAOAFWMRSV-LAUBAEHRSA-N 449.841 4.406 5 20 IIBD CC(C)[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(F)c2[N+](=O)[O-])C3)CC1 1801817440 KYFIKVRURFJCPM-YCEIQTCASA-N 445.535 4.448 5 20 IIBD CC1(C)CC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2(c4cccc([N+](=O)[O-])c4)CCC2)C3)C1 1802432478 HCPVUNIWPVOEDY-ACDBMABISA-N 439.556 4.091 5 20 IIBD O=C(/C=C/C1CC1)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1824837924 STLCQPNYZDGEDV-NMXNWIABSA-N 439.556 4.113 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)F)CC1 1826769800 WHVUUPKYQRXPTJ-GOSISDBHSA-N 437.487 4.024 5 20 IIBD Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9718166 WHKAWSLTWVIRPD-UHFFFAOYSA-N 449.341 4.373 5 20 IIBD C[C@@H](OC(=O)CCc1ncc(-c2ccccc2Cl)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 12254363 WVXCCDLWXFSUPL-CYBMUJFWSA-N 443.843 4.406 5 20 IIBD CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] 14088191 JXWXQOPAQIOREY-UHFFFAOYSA-N 447.904 4.169 5 20 IIBD CCc1ccc(OCC(=O)N(CCOC)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 14790618 NJIGGOBGRQBYOV-UHFFFAOYSA-N 441.509 4.339 5 20 IIBD CCOc1ccc([C@@H]2CCCN2C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1 16141967 CKIQAUMHGWUNQN-IBGZPJMESA-N 439.468 4.045 5 20 IIBD Cc1ccccc1C=C(C(=O)Nc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1[N+](=O)[O-] 20859740 BMYQOLZXRFBERP-UHFFFAOYSA-N 446.419 4.472 5 20 IIBD CN(C(=O)COC(=O)c1ccc([N+](=O)[O-])s1)[C@@H](c1ccccc1)c1ccc(F)cc1 23344235 PBMMDOZROBOYGT-FQEVSTJZSA-N 428.441 4.200 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC[C@@H](c2nc3ccccc3o2)C1 24695666 OYSPLHYUBZKJEB-GOSISDBHSA-N 434.496 4.359 5 20 IIBD O=C(COC(=O)CSCc1ccc(F)cc1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 24775480 BUSOTPFPBCKRHX-UHFFFAOYSA-N 446.378 4.168 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccc(NC(=O)C2CC2)cc1 27299199 CVLUSUQUOGOWSJ-INIZCTEOSA-N 436.512 4.425 5 20 IIBD CNC(=O)c1ccc(CN(C)[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)cc1 29929650 WFDXTKVYXPBENA-HSZRJFAPSA-N 446.507 4.075 5 20 IIBD COc1ccc(CSCC(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1[N+](=O)[O-] 31912989 LUCQHXQPQSTLLH-UHFFFAOYSA-N 438.889 4.290 5 20 IIBD COc1ccc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1F 57753647 DAOQIASIOWMSDM-UHFFFAOYSA-N 442.369 4.115 5 20 IIBD COCc1cccc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 58058923 GUYXYDJOVIBRCK-UHFFFAOYSA-N 438.406 4.114 5 20 IIBD O=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 58185928 CNQMIQBPEGUASG-UHFFFAOYSA-N 427.392 4.435 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2CN2CCCC[C@H]2C)cc1OC 60475281 QCKCOHAFJNCTDV-QGZVFWFLSA-N 441.528 4.307 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl 64784669 NSHLTJWBWURCGA-JTQLQIEISA-N 426.256 4.009 5 20 IIBD C[C@H]1CN(c2ccc(CNc3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])cn2)CCO1 71954969 YAGUWOLVJKGINY-KRWDZBQOSA-N 432.480 4.058 5 20 IIBD C[C@@H](C(=O)O)[C@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 237760273 QEJWSMSWQVUAEL-ZHRRBRCNSA-N 433.464 4.399 5 20 IIBD CN1CC[C@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 301860078 FIHQGQXYSQSSDC-QVKFZJNVSA-N 446.910 4.384 5 20 IIBD CC1CCC(Oc2cc(CNc3sc(S(C)(=O)=O)cc3[N+](=O)[O-])ccn2)CC1 301942656 XLTJHCWYZDCEIE-UHFFFAOYSA-N 425.532 4.024 5 20 IIBD Cc1cc(N2CCCN(C(=O)c3ccc(F)cc3)CC2)c(Br)cc1[N+](=O)[O-] 302694208 SKXZBISYTLTWGE-UHFFFAOYSA-N 436.281 4.157 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(N2CCc3ccccc32)CC1 410322821 DTWYUCZLSAONOJ-HNNXBMFYSA-N 429.904 4.069 5 20 IIBD COc1ccccc1[C@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1ccco1 426954473 DINBLOVVHXWJNM-QHCPKHFHSA-N 433.420 4.029 5 20 IIBD O=[N+]([O-])c1ccc(-c2ncn(Cc3coc(-c4ccc(Br)cc4)n3)n2)cc1 428262522 GJEBOULUNNIFCX-UHFFFAOYSA-N 426.230 4.319 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1 432964553 AICIDSRVYBKEQX-UHFFFAOYSA-N 432.433 4.079 5 20 IIBD CC(C)c1[nH]nc(C(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)c1[N+](=O)[O-] 433756001 CTAPOBWEHLJACP-UHFFFAOYSA-N 444.495 4.283 5 20 IIBD CN(C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C1CCC(CO)CC1 434249665 NLTDALZXAIZHQW-UHFFFAOYSA-N 431.920 4.483 5 20 IIBD C[C@@H](c1cccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1)N1CCOCC1 436322680 ONNHDJHWARFCMW-INIZCTEOSA-N 445.494 4.466 5 20 IIBD COc1ccccc1-c1noc([C@H](C)NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 437031522 IQOYIXCKGGNUPA-JTQLQIEISA-N 436.346 4.163 5 20 IIBD CC(C)(C)c1nc2cc(NC(=O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)ccc2o1 437051715 OSUDWBBXBHLYJO-UHFFFAOYSA-N 436.468 4.163 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@@H](C)c3nc(C(C)(C)C)no3)cc2[N+](=O)[O-])C1 437136231 PQUGZBDYVJWZJU-ZNMIVQPWSA-N 429.521 4.249 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H](c1cccc(F)c1)c1cnn(C)c1 437252377 FMGXHOVVANHAID-SFHVURJKSA-N 436.365 4.348 5 20 IIBD O=C(CN(Cc1ccccc1[N+](=O)[O-])C1CC1)N1CC=C(c2c[nH]c3ccccc23)CC1 441258044 SNGBLSBLSWXOFF-UHFFFAOYSA-N 430.508 4.356 5 20 IIBD CCN(CC)[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)CC(C)C 444013744 YCXCGNINELHHDK-MRXNPFEDSA-N 429.511 4.446 5 20 IIBD C[C@@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccc([S@](C)=O)cc1 444235810 GJMXFAQJYFXLMD-VEWZGRNOSA-N 440.471 4.188 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H]1CCOc2ccc(Br)cc21 445895487 GRKKBVIPZRAIAY-KRWDZBQOSA-N 434.290 4.060 5 20 IIBD O=C(NC1(c2cccc(OC(F)(F)F)c2)CCOCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 446497586 YOPMRHWPSYBFKO-UHFFFAOYSA-N 449.385 4.410 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 446761207 JNAFGMNPNKVLDT-UHFFFAOYSA-N 433.917 4.278 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c(Br)c1 446990224 JBNQFNDTZMADDW-UHFFFAOYSA-N 426.075 4.465 5 20 IIBD CC(=O)Nc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1Cl 447009305 XWXAHFSLFIVQKT-UHFFFAOYSA-N 437.783 4.026 5 20 IIBD COc1ccccc1[C@H](CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)N1CCCCC1 447541768 MZIBDYDRCMRFLW-HKBOAZHASA-N 427.549 4.100 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCO[C@]2(CCc3ccccc32)C1 447685272 JNZFDGYSASRDGX-QGZVFWFLSA-N 429.345 4.322 5 20 IIBD O=C(C1CCN(c2nc3ccccc3o2)CC1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 460362903 GRDJPFHCSNAACC-NRFANRHFSA-N 438.509 4.227 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1OCCc1nc(-c2ccc(Br)cn2)no1 460827497 BREQQVOWFUHBOZ-UHFFFAOYSA-N 425.626 4.077 5 20 IIBD COc1cc(CNc2ccc(C(N)=O)c(F)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 461206384 FGZLYQUBFWZWPE-UHFFFAOYSA-N 425.416 4.033 5 20 IIBD CCOc1ccc(C2(CNC(=O)[C@H](CC)Cc3ccc([N+](=O)[O-])cc3)CCOCC2)cc1 462491787 PGNDAFMEQVYTLS-HXUWFJFHSA-N 440.540 4.427 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@](CO)(Cc2ccccc2)C1 462899183 YXCSPLJXMWVNAR-HSZRJFAPSA-N 437.521 4.176 5 20 IIBD C[C@@]1(CNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CCO[C@@H]1C1CC1 466830083 CCSKBOIBDBAGHR-MJGOQNOKSA-N 439.299 4.022 5 20 IIBD Cc1cnn(Cc2ccccc2F)c1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 470204597 WHDWSILTKYTUNY-UHFFFAOYSA-N 433.237 4.302 5 20 IIBD Cc1nn(CCC(=O)Nc2ccc(OCC(F)F)c(C(F)(F)F)c2)c(C)c1[N+](=O)[O-] 470213792 KPXXJHDPLMPQKZ-UHFFFAOYSA-N 436.337 4.100 5 20 IIBD COC(=O)COc1ccc(CN2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)cc1[N+](=O)[O-] 475133304 BDSSUOJMFZTOEI-QGZVFWFLSA-N 444.875 4.013 5 20 IIBD O=[N+]([O-])c1ccn(C2CCN(Cc3ccc(Br)cc3C(F)(F)F)CC2)n1 475219274 KLHSQORNFTWSBE-UHFFFAOYSA-N 433.228 4.410 5 20 IIBD CCc1nc2c(s1)[C@H](N(C)C(=O)C1CCN(c3ccccc3[N+](=O)[O-])CC1)CCC2 478295075 YPSCANLOFXICSN-LJQANCHMSA-N 428.558 4.366 5 20 IIBD O=[N+]([O-])c1ccccc1-n1ccc(-c2nc(-c3ccc(OCc4cccnc4)cc3)no2)n1 478645061 AYQUMBHHPATDBY-UHFFFAOYSA-N 440.419 4.472 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C)N(C)C 478965938 YWQPVBQMJMRLCB-LJQANCHMSA-N 431.558 4.384 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(CN2CCCCC2)cc1 479426995 RLVSFECQFKIEQD-UHFFFAOYSA-N 443.569 4.249 5 20 IIBD CC1(C)CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C[C@@]2(CCCOC2)O1 482856667 MFSJQKDUAJPKEQ-XMMPIXPASA-N 439.512 4.007 5 20 IIBD CC(C)(C(=O)O)c1ccc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 486311059 RWVKTNKOFLCFOG-UHFFFAOYSA-N 439.390 4.417 5 20 IIBD Cc1c(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cnn1-c1ccccc1F 486351347 WFVCLUGDYKQMFR-UHFFFAOYSA-N 425.239 4.304 5 20 IIBD CCOc1ccc([C@H](C)NC(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)cc1OCC 486902369 XPKKRVUSOOJPAW-AWEZNQCLSA-N 445.472 4.370 5 20 IIBD CC(C)c1c(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cnn1-c1ccccc1 487757439 QLEZZHPWAJCIMR-UHFFFAOYSA-N 447.495 4.034 5 20 IIBD COC(=O)c1cc(C)nc(N2C[C@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] 488714299 ULDPLYFZQGXPPA-BLLLJJGKSA-N 439.390 4.070 5 20 IIBD CCc1ccc([C@H](NCc2ccncc2OC[C@H]2CCOC2)c2ccc([N+](=O)[O-])cc2)o1 490431717 KMLRNUWHTGFJJD-BXKMTCNYSA-N 437.496 4.440 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(c2ccccc2Cl)CC1 490767484 GHQAKVILQWURQG-UHFFFAOYSA-N 448.928 4.365 5 20 IIBD CS(=O)(=O)c1cccc([C@@H](NCCc2ccc([N+](=O)[O-])cc2)c2ccc(F)c(F)c2)c1 491036359 YGECLWPVXVVDCJ-JOCHJYFZSA-N 446.475 4.198 5 20 IIBD CN1C(=O)C[C@@H](NCCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]1c1ccc(Cl)cc1 494243557 BCYIXJBSGOEJQF-GCJKJVERSA-N 440.887 4.007 5 20 IIBD COC(=O)CNC(=O)c1ccc(N[C@@H](CC(C)(C)C)c2ccc(F)cc2)c([N+](=O)[O-])c1 498864169 FMQMJVRZVPBBPT-SFHVURJKSA-N 431.464 4.226 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1ccccc1SC 500034782 DGXVMLQDEMVKNB-RDTXWAMCSA-N 447.582 4.046 5 20 IIBD CC(C)C(=O)NCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 504330333 ZEBIMNFSUPMTAP-UHFFFAOYSA-N 435.933 4.244 5 20 IIBD CSc1cc2c(cc1NC(=O)c1csc(-c3cccc([N+](=O)[O-])c3)n1)OCCO2 505944150 MGGUGUZGDXQFSH-UHFFFAOYSA-N 429.479 4.464 5 20 IIBD Cc1cc(Sc2ncccn2)ccc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 508505626 BMYKSPYEDBOBCZ-UHFFFAOYSA-N 432.465 4.282 5 20 IIBD CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 509398246 BVHYMMVFCASSMU-PZJWPPBQSA-N 447.322 4.392 5 20 IIBD COC(=O)Cc1sc(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)nc1-c1ccccc1 509606661 UCMGSFODFIMXMQ-UHFFFAOYSA-N 443.506 4.408 5 20 IIBD COc1ccc(C[C@H](C)C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)cc1OC 510308666 QTRLBWLRGCARLC-AWEZNQCLSA-N 440.418 4.382 5 20 IIBD COc1ccc(CN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H](C)C2CC2)c(OC)c1 512539367 CWPQLBKYPYSXMT-AWEZNQCLSA-N 444.484 4.070 5 20 IIBD CN1CCC(N(C[C@@H]2C[C@H]3C=C[C@H]2C3)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 515262380 UBKOMLKFEZHISN-ZOBUZTSGSA-N 448.361 4.106 5 20 IIBD CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 516716732 FKIVAERFRRSZSO-LBPRGKRZSA-N 447.797 4.171 5 20 IIBD C[C@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(OCC(F)(F)F)cc1 518633664 NIJUVJSOHHWRIW-ZDUSSCGKSA-N 426.395 4.008 5 20 IIBD O=C(N[C@H](c1ccc(Cl)cc1)C1CCC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 519078771 YVZJYHMQNTYIKL-FQEVSTJZSA-N 429.908 4.016 5 20 IIBD CCc1sc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)nc1-c1ccc(OC)cc1 519124485 HLLNWLPMVLKKNO-UHFFFAOYSA-N 443.481 4.315 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(Oc2c(OC)cccc2OC)CC1 519615260 MVCCAMRGFKGQKC-UHFFFAOYSA-N 429.473 4.250 5 20 IIBD CC[C@@H]1CCCN(C(C)(C)CNC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)C1 521373636 IAVBSKGTMIYAOC-LJQANCHMSA-N 441.576 4.087 5 20 IIBD CC(C)(C)c1ccc(OCCCn2cnc3c(cnn3-c3ccccc3[N+](=O)[O-])c2=O)cc1 521941926 PQLZHIGIOPCCRO-UHFFFAOYSA-N 447.495 4.257 5 20 IIBD Cc1nnc(SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)n1[C@@H]1CCC[C@@H](C)C1 536088996 KRIRKFKZEQDBNG-UKRRQHHQSA-N 431.518 4.336 5 20 IIBD Cc1c(C(=O)Nc2cc(Cc3ccccc3)ccc2O)nnn1-c1cccc([N+](=O)[O-])c1 536221451 VXHSMSKSGJCRTN-UHFFFAOYSA-N 429.436 4.033 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN2CCN(C[C@@H]3CCOC3)CC2)cc1 536664875 UKNBIKMYZYHAPT-SFHVURJKSA-N 431.920 4.195 5 20 IIBD CCN(C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1)CC(F)(F)F 537171057 MYVRMUHIKFLKRB-AWEZNQCLSA-N 433.496 4.442 5 20 IIBD O=C(N[C@@H]1CCCOc2cc(F)ccc21)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 537485563 DKTXZEYPPYFAOO-OAHLLOKOSA-N 428.338 4.319 5 20 IIBD C[C@@H](C(=O)Nc1ccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1)n1cncn1 538834514 AEHLDMLXMITURM-AWEZNQCLSA-N 449.496 4.122 5 20 IIBD O=C(Nc1ccc(Cl)c(Br)c1)c1cccc([N+](=O)[O-])c1N1CCOCC1 539559266 TZOLEGGHDQTEQQ-UHFFFAOYSA-N 440.681 4.100 5 20 IIBD COc1cc(OCC(=O)N2CCc3cc(Cl)c(Cl)cc3[C@H]2C)ccc1[N+](=O)[O-] 540134268 LWCXOPOILPDAGX-LLVKDONJSA-N 425.268 4.435 5 20 IIBD CN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C1CCN(Cc2ccccc2)CC1 541262648 IBYLTUGRGNIBCU-UHFFFAOYSA-N 433.961 4.463 5 20 IIBD C[C@H](C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccc([N+](=O)[O-])cc1F 541761947 CWGSHIMOSJMHLA-INIZCTEOSA-N 426.492 4.008 5 20 IIBD COC(=O)C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccc(C(F)(F)F)cc1 541783997 WZZVUAYOSONCOD-HNNXBMFYSA-N 429.326 4.179 5 20 IIBD C[C@H](NC(=O)NC(C)(C)COc1ncccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 542710986 RZNNNGZZDDZGEC-LBPRGKRZSA-N 426.395 4.226 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@@H]1c1ccc(Br)cc1 544104341 AGTRVBUHCLRNBO-QGZVFWFLSA-N 434.290 4.413 5 20 IIBD COc1ccc(Cc2noc(-c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)n2)c(Cl)c1OC 545658852 QLRDJAUVZFKFRK-UHFFFAOYSA-N 441.831 4.092 5 20 IIBD CSCc1cccc(-c2noc(-c3nn(-c4ccccc4[N+](=O)[O-])c(C)cc3=O)n2)c1 545692503 MTLLLHFGHMUBEI-UHFFFAOYSA-N 435.465 4.029 5 20 IIBD COc1ccc(C(F)(F)c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)cc1 545744703 VZVKUOIGGLNJIA-UHFFFAOYSA-N 440.200 4.480 5 20 IIBD Cc1ccc(-c2nnc([C@@H](C)Sc3nc4cc([N+](=O)[O-])ccc4c(=O)n3C)o2)cc1C 547252509 QFELTWUZNHCDCG-CYBMUJFWSA-N 437.481 4.362 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccc(F)cc1)c1cnn(C)c1 551316514 DBNCZTULVPVAPX-GOSISDBHSA-N 447.264 4.058 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 553039282 KWGBWALMBFLVHU-SVFBPWRDSA-N 435.505 4.363 5 20 IIBD COc1ccc(CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C2CC2)c(OC)c1 554838786 DWMQCWUWRYMCQC-AWEZNQCLSA-N 429.473 4.453 5 20 IIBD O=[N+]([O-])c1ccc(C(F)(F)F)c(-c2nc(-c3ccccc3CN3CCOCC3)no2)c1 559932328 LCKHUIQEPQPKSG-UHFFFAOYSA-N 434.374 4.163 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N3CC(C(F)(F)F)C3)c([N+](=O)[O-])c2)c(C)c1 564240364 YOVIPLKNGQISSV-UHFFFAOYSA-N 429.420 4.011 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](CN(C)C)c2ccc(Cl)cc2)cc1SC 565443184 JAQGLTSVYQCBGY-AWEZNQCLSA-N 437.949 4.054 5 20 IIBD CCOc1ccccc1C(=O)N1CCC[C@H]1c1nc(Cc2cccc([N+](=O)[O-])c2C)no1 565625898 LNBJXCCRYSCOLC-IBGZPJMESA-N 436.468 4.253 5 20 IIBD CC1(C)CN(CC2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C2)c2cc(C3CC3)ccc21 570107999 MXQPMIBXRANXFV-UHFFFAOYSA-N 438.503 4.063 5 20 IIBD O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 571934560 YSLVORNUERWBGX-UHFFFAOYSA-N 447.373 4.226 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)Nc2ccc(CCN3CCCC3)cc2)cc1[N+](=O)[O-] 575821401 ZQSSTVRBBYMYEP-UHFFFAOYSA-N 438.528 4.108 5 20 IIBD Cc1ccc(NC(=O)N2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)cc1[N+](=O)[O-] 581571165 BWPKRTDAGRBCHR-KRWDZBQOSA-N 425.363 4.407 5 20 IIBD CC(C)N(C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](C(=O)O)c1ccc(Br)cc1 581585503 YGFMZFWXENFMQF-INIZCTEOSA-N 436.262 4.426 5 20 IIBD COc1cc(I)c(Cl)cc1C(=O)Nc1cccc([N+](=O)[O-])c1 603565823 TXUBTQBIUURRFZ-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD C[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccc(OCc2cccnc2)cc1 603741471 GHKCMLRZHDAKCE-QGZVFWFLSA-N 443.463 4.246 5 20 IIBD CCOc1ccc(NC(=O)CNc2ccc(C(=O)N(CC)CC)c(Cl)c2)c([N+](=O)[O-])c1 604007895 PYKRNSIRJYDDPQ-UHFFFAOYSA-N 448.907 4.180 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCN(c2cccc(F)c2)CC1 604248435 LHDGLDSUUBBNAV-UHFFFAOYSA-N 434.471 4.308 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)c1 608866178 AYSDBTVMVSEOOK-CQSZACIVSA-N 446.504 4.130 5 20 IIBD O=C(NC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1)Nc1cccc(F)c1 608866575 ZJDYFEIENPOZDC-CYBMUJFWSA-N 434.855 4.061 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N(Cc1ccccn1)c1ccc(Cl)cc1 608939990 SZHTXPZZGCKLEG-UHFFFAOYSA-N 425.828 4.261 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2cccc(CN3CCCCC3)c2)no1 609475192 MGAYFKZOJRYXDO-INIZCTEOSA-N 435.484 4.122 5 20 IIBD COC(=O)c1cc(C(=O)N(CCc2ccc(OC)cc2)CC(C)(C)C)cc([N+](=O)[O-])c1 609647169 YOZYNQWGVHCLGW-UHFFFAOYSA-N 428.485 4.121 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(N2CCC[C@@H]2c2cccc(N(C)C)c2)c([N+](=O)[O-])c1 609802876 XHSSOEJQXQDJHX-HXUWFJFHSA-N 446.573 4.033 5 20 IIBD CCCc1nc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)nn1-c1ccccc1Cl 609859840 XHPLVXCEYKZUJY-UHFFFAOYSA-N 425.876 4.374 5 20 IIBD Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 609997866 XTYMFFOCVADKKS-YCRPNKLZSA-N 429.904 4.286 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c1 612133383 ZBPFFYBLSDNGQQ-DZFGPLHGSA-N 425.554 4.347 5 20 IIBD Cc1ccc([C@@H](CNC(=O)c2cc3ccccc3c3cccnc23)N2CCOCC2)cc1 614994709 QVNIZGWCHUQEOY-RUZDIDTESA-N 425.532 4.500 5 20 IIBD COC(=O)Cc1cccc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1 616508262 FJISANRBLHDCTH-UHFFFAOYSA-N 441.827 4.403 5 20 IIBD CN(CCC(=O)Nc1ccc(Br)cc1)Cc1cc([N+](=O)[O-])ccc1Cl 725842846 WLOXMIGSMRAWRI-UHFFFAOYSA-N 426.698 4.471 5 20 IIBD Cc1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)c(F)c1 727585395 FQEDMKJJXMQWGM-UHFFFAOYSA-N 426.370 4.415 5 20 IIBD O=C(NC[C@H](c1ccccc1)N1CCc2sccc2C1)c1cc(F)c(F)cc1[N+](=O)[O-] 727708722 DZUNQWWQZLKCSB-HXUWFJFHSA-N 443.475 4.464 5 20 IIBD O=C(COC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)Nc1ccc(F)c([N+](=O)[O-])c1 727926320 CMXFIBUJSVQLNR-VXGBXAGGSA-N 427.215 4.326 5 20 IIBD CCOc1ccc([C@H]2CCCN2C(=O)COC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 730644347 BLQXPPQMZSGINU-QGZVFWFLSA-N 432.860 4.167 5 20 IIBD COc1ccc(CN2CC[C@@H](Nc3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1 734483205 XILMBMXLMLRLLW-OAHLLOKOSA-N 443.809 4.489 5 20 IIBD Cc1cccc(NC(=O)[C@H](OC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)C(C)C)c1C 735353085 VWUZIBFFUFTRIY-OAQYLSRUSA-N 437.452 4.286 5 20 IIBD C[C@@H](O)c1ccc(CNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cc1 736673567 RCKKTXZDIAKTED-LLVKDONJSA-N 435.267 4.071 5 20 IIBD CC(C)c1ccc([C@H](C)CC(=O)OCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 738743721 SBKRUROYFGJXED-CQSZACIVSA-N 428.441 4.122 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)OC[C@H]1CCC(=O)N(C)[C@@H]1c1cccc(Cl)c1 740606541 WOILSBQAPWPPSG-JLTOFOAXSA-N 432.860 4.023 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(NCc2cc(Cl)c3c(c2)OCCCO3)cc1Cl 741746288 BTFMWEZXBNKDOX-UHFFFAOYSA-N 427.240 4.462 5 20 IIBD C[C@H]1C[C@@H](c2ccccc2F)N(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 742333074 SUPBPNZGELHPGK-GTNSWQLSSA-N 443.294 4.268 5 20 IIBD Cc1cc(=O)c(C(=O)O[C@@H](C)c2ncc(-c3ccccc3)o2)nn1-c1ccccc1[N+](=O)[O-] 744509362 KNBSEDKEBCSQFQ-HNNXBMFYSA-N 446.419 4.022 5 20 IIBD C[C@H](OC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1nc(Cc2ccc(Cl)cc2)no1 744885321 ASFHIFRGZJMZLD-NSHDSACASA-N 435.795 4.044 5 20 IIBD O=C(OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 745351451 QVKFGVYVTSPTRS-SJORKVTESA-N 435.263 4.138 5 20 IIBD O=C(COC(=O)c1cc(OCc2ccccc2)ccn1)Nc1cc([N+](=O)[O-])ccc1Cl 745646638 JDVXVFLPPGHSKK-UHFFFAOYSA-N 441.827 4.018 5 20 IIBD CCN(C(=O)[C@@H](C)OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 747961067 FJWCDIBMCMATMG-CQSZACIVSA-N 425.466 4.317 5 20 IIBD C[C@H](OC(=O)Cc1cccc(OC(F)(F)F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 748359203 BMCYJEHZEWPMAM-NSHDSACASA-N 437.330 4.390 5 20 IIBD O=C(CCn1cc(Br)cn1)Oc1ccc(Cc2ccccc2)cc1[N+](=O)[O-] 749062965 AQIIHJIKMVELHK-UHFFFAOYSA-N 430.258 4.140 5 20 IIBD COc1cc(-c2noc(COC(=O)c3cc([N+](=O)[O-])ccc3Br)n2)ccc1C 750021706 SUGRENFNHKJWNT-UHFFFAOYSA-N 448.229 4.081 5 20 IIBD CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCC(Nc2cc(OC)cc(OC)c2)CC1 750031400 XDGVSODPTBYJAN-UHFFFAOYSA-N 447.463 4.009 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)Cc1csc(-c2ccc(F)c(F)c2)n1 750163474 CHSCDIMIVCUBRS-UHFFFAOYSA-N 447.419 4.029 5 20 IIBD C[C@H](OC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1nc2cc(Cl)ccc2n1C 750219652 GCPOIANLYYLAQQ-LBPRGKRZSA-N 425.832 4.239 5 20 IIBD O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCO[C@H](c2ccccc2Br)C1 750764206 LZXUNHUELROLRG-KRWDZBQOSA-N 430.258 4.052 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(Cc2ccccc2)C[C@@H](O)c2ccsc2)c1C 751495449 SQIRXYQTGVYTEX-HXUWFJFHSA-N 446.550 4.198 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)OC(C)(C)C)C1 752741728 SMDQRDVTRIRLIA-GVDBMIGSSA-N 432.521 4.369 5 20 IIBD O=C(N[C@@H]1COc2cc(F)cc(F)c21)c1cc(Br)cc([N+](=O)[O-])c1Cl 753303692 IKWORTQYMONXLP-SNVBAGLBSA-N 433.592 4.152 5 20 IIBD C[C@@H]1CN(Cc2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2Br)C[C@@H](C)O1 753800280 VRIQSLVEJRKWDW-ZIAGYGMSSA-N 448.317 4.219 5 20 IIBD C[C@H](OCCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1ccccc1 754633434 XLERBEQCNZFTDI-LBPRGKRZSA-N 425.254 4.394 5 20 IIBD C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1Br 755307605 VZSDOOGCLXKRET-CKNLXJGOSA-N 433.302 4.277 5 20 IIBD C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-] 756251151 VHMKXZKGDTYUAX-HNNXBMFYSA-N 443.452 4.416 5 20 IIBD C[C@@H](OC(=O)Cc1cccc(F)c1F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 756487150 GLETVPCDJGMFDK-SECBINFHSA-N 432.301 4.005 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)Oc1ccc(Oc2ncc(Br)cn2)cc1 756771238 RZXNYSWZYUCWKE-UHFFFAOYSA-N 446.213 4.167 5 20 IIBD CC(C)(C)OC(=O)NC[C@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 756996328 GGMZPKHYKZIQQL-KRWDZBQOSA-N 433.892 4.173 5 20 IIBD COc1ccc(-c2cncc(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2)cc1 758101616 QJSXOHZYVDFRGS-UHFFFAOYSA-N 441.827 4.114 5 20 IIBD Cc1noc(C)c1-c1ccc(OC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 759881389 KLGVGQGMZIEQJN-INIZCTEOSA-N 441.465 4.138 5 20 IIBD Cc1ccc(-c2nc(CC(=O)O[C@@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)cs2)cc1 759929796 ISMDDZQQWGYRKX-QZTJIDSGSA-N 426.498 4.493 5 20 IIBD O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1O)c1cnn(-c2ccccc2)c1Br 760425324 VXPRDGBSYQLGNV-UHFFFAOYSA-N 437.637 4.154 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@H](C)C[C@H](O)c3ccco3)cc2[N+](=O)[O-])n1 761685463 ZEKHUNSBKKMQJL-ABAIWWIYSA-N 433.511 4.346 5 20 IIBD O=[N+]([O-])c1ccc(NS(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)c2cccnc12 764954477 LQLGXDWJXBUSMP-UHFFFAOYSA-N 447.419 4.473 5 20 IIBD CCOCCC1(CNc2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])CCC1 765548498 KJPJOGRNSRBAJL-UHFFFAOYSA-N 432.271 4.283 5 20 IIBD COCCN([C@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1csc([N+](=O)[O-])c1 768831554 FFCZGCPKPYFFAF-LLVKDONJSA-N 438.449 4.073 5 20 IIBD O=C(COC(=O)c1ccnc(OC2CCCCC2)c1)Nc1cc([N+](=O)[O-])ccc1Cl 772130184 XUUSCDFYFUJXBG-UHFFFAOYSA-N 433.848 4.150 5 20 IIBD COc1ccc(C[C@@H](C)C(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)cc1OC 773467913 LRXCAKHZYIQUQF-GFCCVEGCSA-N 438.274 4.297 5 20 IIBD Cc1cc(NC(=O)c2cncc(C(=O)Nc3ccc([N+](=O)[O-])c(C)c3)c2)ccc1[N+](=O)[O-] 777132665 FYDSMPCPECXDSE-UHFFFAOYSA-N 435.396 4.019 5 20 IIBD COc1c(F)cc(S(=O)(=O)N2CCC[C@H]2c2ccccc2C(F)(F)F)cc1[N+](=O)[O-] 777930964 GQAYQVDJPYNKPN-HNNXBMFYSA-N 448.394 4.287 5 20 IIBD C[C@@H](c1cc2ccccc2o1)N(C)C(=O)COC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 778170780 XACNRRKHHSMITB-ZDUSSCGKSA-N 432.379 4.196 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Oc2ccc(C(=O)Nc3ccccc3)cc2)cc1OC 779322884 AGSWWCWYPPAZGC-UHFFFAOYSA-N 436.420 4.474 5 20 IIBD CC(C)C[C@@H](C)N(C)C(=O)COC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781257857 VTMJRELWKGGJID-CYBMUJFWSA-N 430.451 4.009 5 20 IIBD CC(C)C[C@H](C)N(C)C(=O)COC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781257858 VTMJRELWKGGJID-ZDUSSCGKSA-N 430.451 4.009 5 20 IIBD COc1cc(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(OC)c1C(C)C 781297149 APRBVTJCXURFSC-UHFFFAOYSA-N 436.848 4.184 5 20 IIBD CCOc1ccc(C2=CCN(C(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)cc1 781799170 WMMIHJRTYMEMMF-UHFFFAOYSA-N 425.441 4.150 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 784442178 NPACYUQGVIAFMH-QVKFZJNVSA-N 437.562 4.229 5 20 IIBD O=C(Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1)c1ccn(CC(F)F)n1 789404154 BRKZVLJDYBXYSW-UHFFFAOYSA-N 441.346 4.049 5 20 IIBD C[C@H](CC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C(=O)c1ccccc1 791173787 GOADWRSKPIRISK-CYBMUJFWSA-N 431.286 4.151 5 20 IIBD CCOc1ccc(-c2nc(CC(=O)OCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cs2)cc1 791688372 WCKYDBVFDPFSEG-UHFFFAOYSA-N 443.437 4.311 5 20 IIBD CCn1cc([C@@H](O)CN(Cc2ccccc2)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cn1 792380686 YKMNDXPKTMXDSS-QHCPKHFHSA-N 447.495 4.202 5 20 IIBD CCOC(=O)/C(=C/c1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)c1ccc([N+](=O)[O-])cn1 794949947 RLVRHEXDIBQXPS-LICLKQGHSA-N 439.380 4.270 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 795095874 CAILJXCJZGGVON-KYJSFNMBSA-N 443.504 4.037 5 20 IIBD O=[N+]([O-])c1c(N[C@@H](CO)c2ccc(Br)cc2C(F)(F)F)nc2ccccn12 795289074 WNOAOZDJQBMFFX-LBPRGKRZSA-N 445.195 4.169 5 20 IIBD COc1ccc(Cl)cc1-c1nc(=S)n(CN(C)CCc2ccccc2[N+](=O)[O-])[nH]1 795644701 OGHOXLSJDRFUHZ-UHFFFAOYSA-N 433.921 4.310 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 798542528 XWRSZQGGUYNBCR-UHFFFAOYSA-N 427.457 4.497 5 20 IIBD COC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)c1OC(C)C 798733563 SYCBVJFHJVBWOV-UHFFFAOYSA-N 437.246 4.183 5 20 IIBD COc1ccc(C[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)c2ccc(OC)cc2)cc1 801798829 LLPFCYIIZUXGRM-NRFANRHFSA-N 439.443 4.047 5 20 IIBD C[C@@H](NC(=O)NC[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 808241225 QVUSPPHVEHSGHE-BRWVUGGUSA-N 434.537 4.286 5 20 IIBD CCN(C)C(=O)CSc1ccc([C@@H](C)OC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1 809078862 WBBVTDLQHKKEIU-ACQAZONXSA-N 428.510 4.483 5 20 IIBD COc1ccc2c(c1)C1(CC1)CN(S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C2 810104522 KFQNJJPWFDFNRG-UHFFFAOYSA-N 443.308 4.146 5 20 IIBD COc1cc(C(=O)OCc2cc(C(C)(C)C)on2)c([N+](=O)[O-])cc1OCc1cscn1 810727328 BVTYTDJUEFHKHU-UHFFFAOYSA-N 447.469 4.281 5 20 IIBD Cc1cc(S(C)(=O)=O)cc(C(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1C 811083721 BEIUNKJZDWOMRX-UHFFFAOYSA-N 432.281 4.279 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCCCN1C(=O)c1cccs1 815185098 CFSGBUTWVZHKAR-OAHLLOKOSA-N 442.415 4.413 5 20 IIBD COc1cc(COC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c([N+](=O)[O-])cc1OC(F)F 917264359 YYCWCYHSMFQTLY-UHFFFAOYSA-N 438.295 4.216 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CCC[C@H]1CCc1ccccc1 917658317 DUJHKDSDBXGKIA-INIZCTEOSA-N 439.331 4.143 5 20 IIBD O=C(Oc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 918555104 HQPNMDJWZKQXMR-SECBINFHSA-N 446.740 4.365 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2cccc3c2OCO3)c2ccccc2)c([N+](=O)[O-])c1 919475798 JDQZAQIWAFIOAN-HXUWFJFHSA-N 434.404 4.169 5 20 IIBD CCCc1c(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cnn1-c1cc(F)c(OC)cc1F 1116563294 YYLYENNGIQSNAF-UHFFFAOYSA-N 442.422 4.176 5 20 IIBD Nc1c(C(=O)Nc2cc(Br)ccc2F)cc(Br)cc1[N+](=O)[O-] 1116935152 QOUBHGGFEXSSPT-UHFFFAOYSA-N 433.031 4.093 5 20 IIBD Cc1ccc([C@H](C)NC(=O)c2cc(Br)c(Br)[nH]2)cc1[N+](=O)[O-] 1120697991 COCCMUQKQLNBSP-QMMMGPOBSA-N 431.084 4.247 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1ccc(Cn2cccc2)cc1)c1ccccc1[N+](=O)[O-] 1318296696 UVRDQYHVTYABFC-NRFANRHFSA-N 435.480 4.257 5 20 IIBD Cc1ccc(CN2CCCN(C(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 1320103389 TXLPLKVWWFIDFZ-QGZVFWFLSA-N 431.920 4.058 5 20 IIBD O=C(c1ccccc1)c1ccc(NCCc2nc(Cc3ccccc3)no2)c([N+](=O)[O-])c1 1337681907 NMLYUHJQJJGCNN-UHFFFAOYSA-N 428.448 4.454 5 20 IIBD Cc1ccc(OCCc2nnc(COc3ccccc3[N+](=O)[O-])o2)c(Br)c1 1348893118 QVHFALZKVZXFJH-UHFFFAOYSA-N 434.246 4.249 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)[C@@H]3CCCS3)CCC2)cc1 1785795161 XZMSHIHTPXDGGH-FQEVSTJZSA-N 439.537 4.167 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@H](C)n4cccc4)CCC3)cc2)ncc1[N+](=O)[O-] 1788767248 GCBJEHGLYIEWBC-KRWDZBQOSA-N 447.495 4.109 5 20 IIBD Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])[nH]4)cc3)CCC2)c1 1790187289 RTCCIIPCFYFKGO-UHFFFAOYSA-N 436.443 4.432 5 20 IIBD CCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2c(F)ccc([N+](=O)[O-])c2C)cc1 1800699876 OZMZNOLSSFOJFV-REPLKXPHSA-N 439.487 4.170 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CC2CCCC2)[nH]n1)c1cccc(F)c1[N+](=O)[O-] 1821170199 PXLHNZYEWSXFNC-SFHVURJKSA-N 443.479 4.343 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCCCN2C(=O)CC2CCC2)CC1 1832834538 AWRISCMATHDMGG-QHCPKHFHSA-N 441.572 4.337 5 20 IIBD CCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cc(F)ccc2[N+](=O)[O-])CC1 1832888796 NJQDNZJGKUAMIQ-HXUWFJFHSA-N 447.551 4.332 5 20 IIBD C[C@@H](OC(=O)c1c(F)cccc1F)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 11125296 SSVUTFLPKGUORJ-SNVBAGLBSA-N 433.392 4.181 5 20 IIBD Cc1c(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)oc2ccccc12 14826565 BEMZKHLIUFVLGA-UHFFFAOYSA-N 443.462 4.191 5 20 IIBD Cc1ccc(-c2nc(CC(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3C)cs2)cc1 17205448 DSXDXQNNIJJFGS-UHFFFAOYSA-N 425.466 4.060 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])s1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 23344823 IBYJBSWMAGRROS-GFCCVEGCSA-N 432.454 4.272 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)cc1[N+](=O)[O-] 24684024 KKFBDHATNKBGPS-ZDUSSCGKSA-N 435.889 4.266 5 20 IIBD COc1ccc(C(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)cc1[N+](=O)[O-] 31826344 XZCUWTVWAFRGSK-UHFFFAOYSA-N 427.360 4.407 5 20 IIBD Cc1cccc(C(=O)Nc2cc(NC(=O)CN3CCCC[C@@H]3C)ccc2F)c1[N+](=O)[O-] 58988337 UZSZUMMMWPSZBO-HNNXBMFYSA-N 428.464 4.108 5 20 IIBD O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 64894613 HLFLVXLYRSDBOV-SFHVURJKSA-N 426.498 4.268 5 20 IIBD CCOc1ccc(C(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)cc1[N+](=O)[O-] 71982039 QHMJCLJYWHJTJX-UHFFFAOYSA-N 437.427 4.315 5 20 IIBD CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 72058149 LJUQMEATGKMIHC-AWEZNQCLSA-N 434.899 4.020 5 20 IIBD C[C@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccccc2)c1 97298164 YDUNNEMWSMSHMM-INIZCTEOSA-N 439.493 4.028 5 20 IIBD CCOc1cc(Br)c(CC(=O)NCc2ccccc2[N+](=O)[O-])cc1OCC 107959151 ZTKASLQGURCWHO-UHFFFAOYSA-N 437.290 4.014 5 20 IIBD COc1ccccc1C(C)(C)CNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 116087671 UHCGGHJXEBAWLY-UHFFFAOYSA-N 436.512 4.173 5 20 IIBD CCc1ccc(C(=O)Nc2cccc(-n3ncc(C(=O)O)c3C(F)(F)F)c2)cc1[N+](=O)[O-] 237130006 MMCMDAIKUIRUBT-UHFFFAOYSA-N 448.357 4.312 5 20 IIBD O=[N+]([O-])c1cc2c(O)ncnc2cc1N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 301243038 KHWIJECWDOFMDY-CQSZACIVSA-N 431.855 4.113 5 20 IIBD O=C(NCc1ccc(NC(=O)c2ccncc2)cc1)Nc1ccc([N+](=O)[O-])cc1Cl 409638482 LEIGMLBZBIIZKL-UHFFFAOYSA-N 425.832 4.217 5 20 IIBD Cc1nc(CCCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cs1 426020695 JFRJLUQVBSRWBA-UHFFFAOYSA-N 442.463 4.050 5 20 IIBD Cc1cnc([C@@H](C)NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)s1 427050065 VHGYTNAJFIBHOA-GFCCVEGCSA-N 442.463 4.472 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](CO)Cc1ccccc1C(F)(F)F 427556276 YXVGQXVFHXXJTL-KBPBESRZSA-N 442.459 4.062 5 20 IIBD CS(=O)(=O)c1ccccc1NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 428157017 AWKIWNYWYQSKIH-UHFFFAOYSA-N 428.491 4.402 5 20 IIBD Cc1c(NC(=O)C(=O)N2CCC[C@H]2c2ccsc2)cc(Br)cc1[N+](=O)[O-] 430328733 FWTXSMMTWFFIGI-AWEZNQCLSA-N 438.303 4.029 5 20 IIBD CCC(C)(C)NC(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)cc1 432469150 NFWRGZKSMPEAEX-UHFFFAOYSA-N 436.468 4.079 5 20 IIBD COC(=O)C[C@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(F)c1 433582027 SNUNZRDMFREEMB-GTNSWQLSSA-N 440.880 4.289 5 20 IIBD Cc1sc(CC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc1C(C)C 436243252 PMVNAAGBLFQFDX-UHFFFAOYSA-N 430.452 4.273 5 20 IIBD CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 436492324 ZEGHCQPADQZTFC-IBGZPJMESA-N 437.500 4.148 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 437300919 FHABDYRNPNHAKK-QGZVFWFLSA-N 442.541 4.402 5 20 IIBD COc1ccc2nc(NC(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)sc2c1 437709480 LLJOZLKEOIYIBS-UHFFFAOYSA-N 428.470 4.288 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@H](C)[C@@H](O)Cc3ccccc3)cc2[N+](=O)[O-])n1 438223175 GAQVHDCNSAHTDG-KDOFPFPSSA-N 443.550 4.233 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)Nc2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] 438789119 WDCGIKHSDVWSGY-UHFFFAOYSA-N 437.218 4.068 5 20 IIBD C[C@H](Nc1ccc(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)cc1Cl)c1ccccc1 439080656 YMGMFNCHJCUMPA-AWEZNQCLSA-N 426.860 4.222 5 20 IIBD C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 444081247 COMQEXUNKZHZQK-LJQANCHMSA-N 425.532 4.418 5 20 IIBD CCOc1cc(-c2noc(-c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)n2)cc(Cl)c1O 445423583 XMLBESBWQRTJPQ-UHFFFAOYSA-N 427.804 4.255 5 20 IIBD CCC(C)(C)c1ccc(NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1 448120047 UNUYUXXRWAGOHF-UHFFFAOYSA-N 430.530 4.334 5 20 IIBD Cc1c(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)nnn1-c1cccc(Cl)c1 460353481 QEKDEMFNGOOYMY-LJQANCHMSA-N 429.889 4.025 5 20 IIBD Cc1ccc(-c2nnc(N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)n2C[C@H]2CCOC2)s1 461593077 FSAZUSUNZSHLMT-QGZVFWFLSA-N 439.541 4.429 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNc3nnc(-c4ccncc4)o3)o2)c(Br)c1 462385961 BRBPAHLKKSKBCO-UHFFFAOYSA-N 442.229 4.674 5 20 IIBD CN(CC(=O)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1)c1ccccc1[N+](=O)[O-] 463539785 DUWVNRUROJVTPG-NRFANRHFSA-N 437.475 4.314 5 20 IIBD CC[C@H](C)N(C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)c1ccc(C(N)=O)cc1 463602297 VOPCMWJRKRSBOZ-HNNXBMFYSA-N 449.511 4.001 5 20 IIBD Cc1ccc(OC(F)F)c(CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 464809473 HOLUNHLJARCVRF-UHFFFAOYSA-N 435.427 4.258 5 20 IIBD Cc1ccc(OC(F)F)c(CNC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c1 465018461 WRHZIRACMXKMBT-UHFFFAOYSA-N 444.438 4.296 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CS(=O)(=O)Cc1ccc(Br)c(Cl)c1 468762164 ANGRGNFPZKICNO-UHFFFAOYSA-N 434.695 4.134 5 20 IIBD C[C@H](C(=O)N1CCN(C(=O)c2cc3ccccc3s2)CC1)c1ccc([N+](=O)[O-])cc1F 469329850 JZWRNZGGKKQCLP-AWEZNQCLSA-N 441.484 4.037 5 20 IIBD Cc1cnn(Cc2ccccc2F)c1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 470193599 GJLOEWNZIFILKW-UHFFFAOYSA-N 432.839 4.348 5 20 IIBD O=C(Nc1ccc(F)cc1)c1ccc(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1 472457769 UVKALNRBGZREFH-UHFFFAOYSA-N 432.411 4.398 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(c2cncc3ccccc23)CC1 472759121 YIIIMCBMJUSMBH-INIZCTEOSA-N 430.468 4.076 5 20 IIBD COc1cc(C(=O)Nc2ccc(CC(=O)N(C)c3ccccc3)cc2)cc([N+](=O)[O-])c1C 478865355 JXQISYUVZDBZHK-UHFFFAOYSA-N 433.464 4.370 5 20 IIBD CC(C)(C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1ccc([N+](=O)[O-])cc1 479211847 GLBRVVXVLALARU-KRWDZBQOSA-N 436.295 4.101 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)Cc1coc2cc(F)ccc12)c1ccccc1[N+](=O)[O-] 479509674 CCVMJAIIYNTDNF-GOSISDBHSA-N 428.416 4.222 5 20 IIBD CCn1c(S[C@@H]2CCCN(c3cccc(F)c3)C2=O)nnc1-c1ccc([N+](=O)[O-])cc1 481334834 CWEPCCHWQYTSBL-GOSISDBHSA-N 441.488 4.300 5 20 IIBD O=[N+]([O-])c1ccc2oc(CN3CCO[C@H](c4ccc(F)c(Br)c4)C3)nc2c1 481617404 SDTVCLKCUXEAEO-KRWDZBQOSA-N 436.237 4.211 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3ccc(N4CCCC4=O)c(F)c3)cc2[N+](=O)[O-])CC1 482970143 HKECCNMIZWXVTD-UHFFFAOYSA-N 440.475 4.349 5 20 IIBD COc1cc(C(=O)Nc2c(C)c(C)nn2-c2ccc(Cl)cc2)cc([N+](=O)[O-])c1OC 485869346 FZFCWXFBBVJNPO-UHFFFAOYSA-N 430.848 4.320 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1 486494436 XKRJJQSAKMJVMI-AWEZNQCLSA-N 436.555 4.427 5 20 IIBD COc1ccc(COCc2cccc(NC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)c2)cc1 486813088 SHPIMAIAIHZMKX-UHFFFAOYSA-N 436.420 4.301 5 20 IIBD Cc1c(NC(=O)[C@H](C)Sc2nnc(-c3cccc(Cl)c3)n2C)cccc1[N+](=O)[O-] 488903076 WXFBKDURQYVOKE-LBPRGKRZSA-N 431.905 4.471 5 20 IIBD COc1cccc(-c2cc(NC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)n(C)n2)c1 489947249 SBEKGJVUCHXPQA-UHFFFAOYSA-N 442.450 4.482 5 20 IIBD C[C@H](NS(=O)(=O)c1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 490998732 QQIBHNJXLWHTHM-WZTLGTBRSA-N 449.554 4.012 5 20 IIBD COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)CC3 493263110 WHDMOZQEGLYAMC-AWEZNQCLSA-N 436.468 4.000 5 20 IIBD O=C(Nc1ccccc1)c1cccc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)c1 493318198 GTIBWBUAKYCUDI-UHFFFAOYSA-N 427.420 4.490 5 20 IIBD Cc1ccc(Br)cc1NC(=O)CCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 497858861 RFXCPFYZKVFWIO-UHFFFAOYSA-N 440.681 4.078 5 20 IIBD CC(C)Oc1ccccc1CC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 500426958 QLDOIXGHIUJOQV-UHFFFAOYSA-N 425.407 4.172 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc2ccsc12 501625759 INLAQYHWLUFCLF-KRWDZBQOSA-N 429.523 4.300 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(OC[C@@H]2CCCO2)cc1 502062131 QKYBSEAFFAMBGY-FQEVSTJZSA-N 428.488 4.351 5 20 IIBD Cn1cc(C(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 503354500 DXDYDDWKBKILEG-UHFFFAOYSA-N 447.426 4.252 5 20 IIBD COc1cc(C(=O)Nc2nc(-c3c[nH]c4ncccc34)c(C)s2)c([N+](=O)[O-])cc1OC 506178853 MYMCIOFYPGRWFA-UHFFFAOYSA-N 439.453 4.173 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCc1c[nH]c2ccc(F)cc12 506225776 CHBYXCIMTGSUHL-UHFFFAOYSA-N 431.489 4.316 5 20 IIBD Cc1ccccc1CN1CCC(NC(=O)COc2cc(C)c([N+](=O)[O-])cc2Cl)CC1 506560288 IFFDTQMDDCCSFG-UHFFFAOYSA-N 431.920 4.025 5 20 IIBD CC(C)n1nc(-c2ccccc2)cc1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 506900248 DYROMIAYODMZOK-UHFFFAOYSA-N 434.500 4.393 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)cc1[N+](=O)[O-])c1ccccn1 507067780 QYLZQDBFUWCTMG-BZSNNMDCSA-N 425.533 4.156 5 20 IIBD CCOC(=O)CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H](C)c1cccc(Br)c1 508296496 ANSHGGYUXPDILE-CQSZACIVSA-N 449.301 4.053 5 20 IIBD C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@H](n4ncc5ccccc54)C3)cc2[N+](=O)[O-])C1 511738271 FTMQFPDXKMMNSH-XLIONFOSSA-N 433.512 4.268 5 20 IIBD C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1cccc(S(=O)(=O)Nc2nccs2)c1 512609251 HKEZPXOECOVDJV-GXDHUFHOSA-N 430.511 4.368 5 20 IIBD CC(C)Oc1ccc([C@@H](CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)N(C)C)cc1 512913631 WDAGSGURJFFEEY-HSZRJFAPSA-N 440.544 4.359 5 20 IIBD CCN1CCN([C@@H]2CCN(Cc3ccc(Oc4ccccc4Cl)c([N+](=O)[O-])c3)C2)CC1 513453951 BLZDQOZUBNOZIH-LJQANCHMSA-N 444.963 4.252 5 20 IIBD O=C(NCCc1nc2ccccc2s1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 515286294 MQHWJUPAOXVDKG-UHFFFAOYSA-N 425.388 4.118 5 20 IIBD Cc1ccc([C@H](C)N(C)C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c(C)c1 519843777 VKQSCYSVNOPHTH-ZDUSSCGKSA-N 434.290 4.132 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)Cc1cccs1 520100933 GDBKPQUFJWUOBD-CQSZACIVSA-N 432.933 4.475 5 20 IIBD Cc1cnc([C@H](NCc2cc(I)cc([N+](=O)[O-])c2)C2CC2)s1 520461366 ADXDLYBEPBRRHN-CQSZACIVSA-N 429.283 4.205 5 20 IIBD CCCOc1cc(NC(=O)N2CCC(n3ccnc3)CC2)c([N+](=O)[O-])cc1OCCC 522093002 ACMWKPYTVVZJIV-UHFFFAOYSA-N 431.493 4.238 5 20 IIBD Cc1noc(C)c1CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1c(C)noc1C 523005919 LCSYOAJAASAQDW-UHFFFAOYSA-N 438.444 4.057 5 20 IIBD Cc1cc(C(=O)Nc2ccc(Oc3cccc(S(C)(=O)=O)c3)cc2)cc([N+](=O)[O-])c1 523091499 DAXSYCGMSOYLDT-UHFFFAOYSA-N 426.450 4.351 5 20 IIBD CCc1ccc(CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)C2CC2)cc1 523944563 ODUPRQPZSGSTFI-QHCPKHFHSA-N 435.524 4.261 5 20 IIBD CC[C@@H](C)N(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1nc(O)c2ccccc2n1 532712033 ZMTMWJXJIAVDOD-MRXNPFEDSA-N 437.500 4.181 5 20 IIBD COc1cc(CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C2CC2)ccc1O 534191778 VZVKOQRJNRZKTE-UHFFFAOYSA-N 425.466 4.237 5 20 IIBD CN1CC[C@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 534224896 UZQQYVCDZKYHNQ-XIKOKIGWSA-N 426.275 4.464 5 20 IIBD Cc1nc2ccccc2n1C[C@H]1CCCN1c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 534396177 LDLXGDFTBWWIOO-LJQANCHMSA-N 433.512 4.158 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN3CCO[C@H](c4cccc(OC(F)F)c4)C3)o2)c1 536179043 HSNGSXBFYQBAJC-FQEVSTJZSA-N 445.422 4.467 5 20 IIBD CN(C(=O)CN1CCOc2ccc(Cl)cc21)c1nc(-c2ccccc2[N+](=O)[O-])cs1 537148511 FTUKBQGGUWVYQL-UHFFFAOYSA-N 444.900 4.234 5 20 IIBD CCN1CCN(Cc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)cc2)CC1 538237066 HHGHRGWPONVLGO-UHFFFAOYSA-N 442.585 4.485 5 20 IIBD CCOCCCNC(=O)c1cccc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])c1 538315708 KVMHMJOWODRETQ-UHFFFAOYSA-N 448.479 4.066 5 20 IIBD COc1cc(C(=O)N2CCCCc3cc(Br)ccc32)c([N+](=O)[O-])cc1OC 540004084 QPMRJXVBWXVMHT-UHFFFAOYSA-N 435.274 4.358 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 540195755 FRIJOVFJEJWSBH-KRWDZBQOSA-N 430.814 4.430 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN(Cc2cccc(-c3cccnc3)c2)C2CC2)cc1 541281690 HEBJJPJMGUKNIN-UHFFFAOYSA-N 437.521 4.095 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1cc(Cl)c2c(c1)OCCO2 541304782 OAVGELQBDNFTIK-UHFFFAOYSA-N 429.281 4.081 5 20 IIBD COc1ccc([C@H](CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)N2CCCCC2)cc1 541582305 LCYUJGXGXZTUTR-AOMKIAJQSA-N 429.492 4.189 5 20 IIBD C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(SCC(F)(F)F)cc1 542665622 HTHBWVBYNSJHJF-ZDUSSCGKSA-N 448.488 4.374 5 20 IIBD C[C@@H](C(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1F 543468765 MRHQBVGONTVIIJ-MRXNPFEDSA-N 435.455 4.449 5 20 IIBD CSc1cccc([C@@H](NC(=O)N=c2cc[nH]cc2[N+](=O)[O-])c2ccc(F)c(F)c2)c1 543767040 FKEXCKGNYXARMJ-LJQANCHMSA-N 430.436 4.323 5 20 IIBD O=C(c1ccc(Cl)cc1Cl)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 544689451 KAUUZJBDNBKMFM-UHFFFAOYSA-N 434.283 4.130 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3cccc4[nH]ccc34)no2)c(I)c1 544944764 JTTJQNJZGZGJHN-UHFFFAOYSA-N 432.177 4.398 5 20 IIBD Cc1cc(C2CCN(C(=O)c3ccc(N4C[C@@H](C)C[C@@H](C)C4)c([N+](=O)[O-])c3)CC2)n[nH]1 546860285 NYGLGBYQVKKVAU-IYBDPMFKSA-N 425.533 4.128 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1noc(-c2cncc(-c3ccc4c(c3)CCO4)c2)n1 547089797 GXFSXXWQZGYDFV-UHFFFAOYSA-N 429.436 4.296 5 20 IIBD COc1cc(C(=O)N[C@@H](CC2CC2)C(=O)O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 553953799 YVXUVFMTQXPRIG-AWEZNQCLSA-N 434.832 4.032 5 20 IIBD COc1ccc(CN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC2CCC2)c(OC)c1 554842249 UJKIUSWBCIFALK-UHFFFAOYSA-N 427.501 4.161 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)cc1[N+](=O)[O-] 556554975 ZGHWVJDKHPCGJR-WJYNOGRTSA-N 431.439 4.171 5 20 IIBD O=C(N[C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 562864953 DVYBKFRYTNAQRH-IAGOWNOFSA-N 445.401 4.260 5 20 IIBD CCc1c(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cnn1-c1ccc(Cl)cc1 567653378 VWGJMQQDTWZFQN-UHFFFAOYSA-N 441.875 4.423 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 573255808 KYVVEHKMJUOAKJ-UHFFFAOYSA-N 448.479 4.008 5 20 IIBD CN(C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Cl)c(C(F)(F)F)c1 574794022 WVXNHNSVPKCOKL-UHFFFAOYSA-N 447.822 4.121 5 20 IIBD COc1cc(CNCC2(SC)CCN(C)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 579043878 XVLHANHHHBEKBE-UHFFFAOYSA-N 445.585 4.099 5 20 IIBD CC(C)(C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)c1ccc2ccccc2c1 590530619 WFJGLMJFSNFJAU-UHFFFAOYSA-N 431.492 4.010 5 20 IIBD Cc1nnc(-c2ccccc2NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 603744209 VYGOGCRREWESEK-UHFFFAOYSA-N 435.362 4.413 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC[C@H](OCC(F)(F)F)C1 603870352 ULIWHLCOSLGSJG-NSHDSACASA-N 434.212 4.453 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 603959560 NACKHELHEUGYAG-GHMZBOCLSA-N 428.329 4.389 5 20 IIBD Cc1cccc(C(=O)NCC2(c3cccc(Br)c3)CCOCC2)c1[N+](=O)[O-] 603998904 JPNUEOQJNWIVBK-UHFFFAOYSA-N 433.302 4.144 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 608836548 REWMIYJGVVEYIS-UHFFFAOYSA-N 443.525 4.175 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N[C@H]3CCN(Cc4ccccc4)C3=O)c([N+](=O)[O-])c2)cc1 608974695 YRXATDUTOVLHOL-QFIPXVFZSA-N 444.491 4.369 5 20 IIBD Cc1cc(NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])n(-c2cc(C(F)(F)F)ccc2Cl)n1 608987923 PTZZACPVZVJJCM-UHFFFAOYSA-N 428.758 4.045 5 20 IIBD CC(C)(C)C[C@H](NC(=O)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(F)cc1 609053562 FPHGSZRUTCGUML-IBGZPJMESA-N 425.464 4.286 5 20 IIBD O=C(CCN1CCc2[nH]c3c(Br)cccc3c2C1)Nc1ccc([N+](=O)[O-])cc1 609197368 QXFIJBHZCCYAGJ-UHFFFAOYSA-N 443.301 4.226 5 20 IIBD CCCOc1cc(NC(=O)N2CCC[C@@H](n3ccnc3)C2)c([N+](=O)[O-])cc1OCCC 609553052 TXZZPYUMYDBYLG-MRXNPFEDSA-N 431.493 4.238 5 20 IIBD Cc1cc(S(=O)(=O)N2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)ccc1[N+](=O)[O-] 609673393 FULUYJSOEVRPSK-UHFFFAOYSA-N 444.553 4.385 5 20 IIBD O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)c1n[nH]c2ccc([N+](=O)[O-])cc12 609737924 GQKJSCKUOQWQLF-PMERELPUSA-N 426.498 4.305 5 20 IIBD COc1cc(C(=O)NCCOC2CCCCCC2)c([N+](=O)[O-])cc1OCc1cscn1 609822025 QLZIUSFMHNCYPG-UHFFFAOYSA-N 449.529 4.108 5 20 IIBD COc1ccc(C(=O)Nc2cccc(OCCNc3ncc([N+](=O)[O-])cc3Cl)c2)cc1 609893559 ZIQRVFCDBLCBAO-UHFFFAOYSA-N 442.859 4.395 5 20 IIBD CCCc1[nH]nc(C(=O)N2CCC(c3nc(-c4ccccc4)cs3)CC2)c1[N+](=O)[O-] 609989558 KMGBXDMKYCJLNT-UHFFFAOYSA-N 425.514 4.414 5 20 IIBD CC(C)Oc1c(Cl)cccc1NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 610143146 JNDSOHPVRLFITN-UHFFFAOYSA-N 446.891 4.025 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)N1CC[C@@H](n2cncn2)C1 614439665 VEIXQQSLMRTYAZ-OAHLLOKOSA-N 429.889 4.078 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@@H](Cn1cccn1)c1ccccc1 618816045 ZOBPCJIFVAHXFA-SFHVURJKSA-N 433.390 4.051 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC([C@@H]4CCOC4)CC3)n2CCc2ccccc2)c1 619823849 JKGOCNRQYRRWQC-JOCHJYFZSA-N 447.539 4.349 5 20 IIBD CC(C)COc1cccc(C(=O)OC[C@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])c1 730703918 QCHWUBQGLSKIRK-GOSISDBHSA-N 426.469 4.091 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)[C@H]2C[C@@H]2c2cccc3ccccc23)c([N+](=O)[O-])c1 730873868 OGPVBCDZLLVUFD-UXHICEINSA-N 434.448 4.432 5 20 IIBD COc1cc2c(cc1NC(=O)c1cn(-c3cccc([N+](=O)[O-])c3)nn1)oc1ccccc12 731456399 HWGSLDZQPXYPBZ-UHFFFAOYSA-N 429.392 4.336 5 20 IIBD O=C(CNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)Nc1ccc(F)c(F)c1 735368202 KHMKZRGLUKHANE-UHFFFAOYSA-N 442.378 4.426 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(C)cc2C)c([N+](=O)[O-])cc1OC(F)F 744534165 OIUPMZQQGRRDDM-GFCCVEGCSA-N 438.383 4.006 5 20 IIBD CO[C@](C)(C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccccc1 744977938 ZILYSGLIBFNZKL-BLVKFPJESA-N 440.374 4.046 5 20 IIBD O=c1c(-c2ccccc2)coc2cc(OS(=O)(=O)c3c(F)cccc3[N+](=O)[O-])ccc12 746177903 WQDZSDQTEHDIIK-UHFFFAOYSA-N 441.392 4.275 5 20 IIBD CCc1ccc(C(=O)Nc2cccnc2N2C(=O)O[C@@H](C(F)(F)F)[C@H]2C)cc1[N+](=O)[O-] 746487643 OBDGTXXHCPMSQX-MEBBXXQBSA-N 438.362 4.081 5 20 IIBD Cn1ccnc1[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1ccccc1 750829284 MOUGYPLOSNPZMX-INIZCTEOSA-N 449.692 4.264 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]1C[C@H](O)c1cccs1 755485610 FLPWBSFSMAWZDR-BBRMVZONSA-N 439.331 4.076 5 20 IIBD CSc1ccc(C(=O)Nc2cnc(Br)c(Br)c2)cc1[N+](=O)[O-] 757825907 QWWWNSJIMMPCBE-UHFFFAOYSA-N 447.108 4.489 5 20 IIBD C=CC(=O)Nc1cc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)ccc1F 758286276 JDPICODSDYQWDX-UHFFFAOYSA-N 426.448 4.347 5 20 IIBD CCc1nnc(C)cc1C(=O)O[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 759716815 UVAIEPMFGXAJHX-OAQYLSRUSA-N 434.452 4.101 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cc(Cl)nc(N2CCCC2)c1 760522793 VHHBALQKHSWCNX-UHFFFAOYSA-N 428.832 4.255 5 20 IIBD O=[N+]([O-])c1ccc(OCc2nc(Cc3ccc(OCc4ccncc4)cc3)no2)cc1F 761675296 NKXLDXJVVWHYHY-UHFFFAOYSA-N 436.399 4.261 5 20 IIBD C[C@H](NC(=O)COC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(OC(F)(F)F)cc1 763419682 JXJKQWUYPSPDCB-STQMWFEESA-N 440.374 4.018 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 765737283 YWPMKNCJNWQSKN-KRWDZBQOSA-N 441.818 4.133 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCc1ccc(Oc2ccccc2)nn1 766092087 GFWSYCNTZNMOHJ-ZDUSSCGKSA-N 429.816 4.341 5 20 IIBD O=C(OCCCc1cnc2ccsc2c1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 767007640 NEFHGZALQZPZFP-HNNXBMFYSA-N 445.522 4.047 5 20 IIBD O=C(Nc1ccc(F)cc1OC1CCCC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 770689861 KTSMEINJODBYNV-UHFFFAOYSA-N 429.448 4.144 5 20 IIBD Cc1cc(C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)c(N)c([N+](=O)[O-])c1 771061975 BPAZJFMXQLGTAE-UHFFFAOYSA-N 444.245 4.083 5 20 IIBD Cc1ccc(-c2noc(C3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)n2)c(O)n1 771114266 BFSGVVKHUQNUBG-UHFFFAOYSA-N 449.389 4.457 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)n([C@H]2CCN(Cc3ccccc3)C2)n1 772272123 MLXZDQJDLUPHRK-SFHVURJKSA-N 439.903 4.452 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)Nc1cccc(C(F)(F)F)n1)c1ccccc1[N+](=O)[O-] 775733464 XFZAGPZRZKTLMG-CYBMUJFWSA-N 440.378 4.213 5 20 IIBD CSc1cccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2OC(F)F)c1[N+](=O)[O-] 777073561 JJOVONBAQCLFCK-SNVBAGLBSA-N 426.397 4.102 5 20 IIBD CC[C@H]1CN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC[C@@H]1NC(=O)OC(C)(C)C 777957202 DQGGRIAAHSZLHZ-JXFKEZNVSA-N 429.521 4.041 5 20 IIBD Cc1nc(C(C)C)sc1[C@H](C)OC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 779314879 UUYSPNMBCYFNHX-ZDUSSCGKSA-N 433.486 4.476 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1cccs1 781255416 CCWOPTDLAQAAFP-LLVKDONJSA-N 442.443 4.055 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(OCC(F)(F)F)cc1 783313358 OLIFVBIQCFEKOV-SNVBAGLBSA-N 445.781 4.005 5 20 IIBD O=C(OCc1cncc(OCc2ccccc2)c1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 783707740 MEGREMQRVRRSHY-UHFFFAOYSA-N 431.404 4.180 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 783946097 NFOSNUIFRWRVKK-ZDUSSCGKSA-N 443.953 4.104 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(c2ccccc2C(=O)O)CC1 783949439 KBWQZAUGGUDMJA-CYBMUJFWSA-N 431.876 4.153 5 20 IIBD CN(C)c1ccc(COC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1[N+](=O)[O-] 784499207 RMMJPTIGUBIWQY-UHFFFAOYSA-N 428.426 4.050 5 20 IIBD COc1cc(C(=O)Oc2ccc(F)c3c2C(=O)C[C@@H]3C)c([N+](=O)[O-])cc1OC(F)F 786819053 XTZWSOLRKWLZDR-QMMMGPOBSA-N 425.315 4.253 5 20 IIBD Nc1nc(COC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])nc2ccccc12 787253246 RDRHODKHVLQBPW-UHFFFAOYSA-N 430.420 4.056 5 20 IIBD COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 788189326 HPKMXWAXIXSHQM-IWEFOYFVSA-N 439.424 4.070 5 20 IIBD CC(C)(C)OC(=O)N1CCOc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2C1 794814079 KTNACPISZSZUOV-UHFFFAOYSA-N 431.420 4.116 5 20 IIBD CCCCOC(=O)c1c(F)cccc1OS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 795280971 YTRADTUWMCFRHN-UHFFFAOYSA-N 431.825 4.112 5 20 IIBD CN(C(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 796899848 FIJLKFKUHJBDPX-INIZCTEOSA-N 446.529 4.327 5 20 IIBD Cc1nc2ccccc2c(C)c1CC(=O)O[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 798734633 FIRMHZXYFUAYIL-CQSZACIVSA-N 425.416 4.012 5 20 IIBD CN(CCOc1ccc(OCc2ccccc2)cc1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N 801901647 KGZKCQAELWMTEG-UHFFFAOYSA-N 439.443 4.046 5 20 IIBD C[C@@H](OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 802075626 ZRMLUXUQBKQCDB-GFCCVEGCSA-N 432.479 4.040 5 20 IIBD O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 806402402 DQEYEGBDHNUYDX-AWEZNQCLSA-N 437.296 4.488 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)c2ccc(S[C@@H]3CCCCNC3=O)cc2)c1 809046821 PWCPAYVNRSTTPK-JLTOFOAXSA-N 444.509 4.282 5 20 IIBD CC(C)Cn1c(SCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])nnc1N1CCOCC1 809952843 GDKDBQNZOWNAHC-UHFFFAOYSA-N 446.360 4.278 5 20 IIBD COc1cccnc1CC(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 810533647 RRNRNJUXBYJFGH-UHFFFAOYSA-N 441.827 4.052 5 20 IIBD CCOc1ccc([C@@H](O)C2CCN(C(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)CC2)cc1 812675281 DMPMURSWNBWCCE-OPAMFIHVSA-N 444.553 4.446 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1ccccc1 814118169 RZZGCOVZCCKHFT-SFHVURJKSA-N 427.501 4.255 5 20 IIBD CC(C)(C(=O)Nc1cnc(Br)c(Br)c1)c1ccccc1[N+](=O)[O-] 814120174 NVWWPVALQRHHEI-UHFFFAOYSA-N 443.095 4.431 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ccc(N2CCCOC2=O)cc1 814350645 SDSINORKNAIYFT-CABCVRRESA-N 429.498 4.300 5 20 IIBD C[C@@H](c1ccc(F)cc1)N(C)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 815511168 YICSTBUMPCZYTN-NSHDSACASA-N 428.338 4.129 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c1 913419144 SXLWYQPQCWLSCC-UHFFFAOYSA-N 439.921 4.148 5 20 IIBD COc1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C(=O)N2CCCCC2)cc1OC 914870478 MHRIHVOCTDLWCP-UHFFFAOYSA-N 447.875 4.144 5 20 IIBD COc1ccc2cc([C@@]3(C)NC(=O)N(Cc4cc([N+](=O)[O-])ccc4Cl)C3=O)ccc2c1 915660458 VCDNYAUYTLOBBN-JOCHJYFZSA-N 439.855 4.377 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 916523125 FRDOKCZTOWCHLK-ANENZZMSSA-N 432.542 4.092 5 20 IIBD COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)N2CCCCC2)cc1 916987346 RVGMBGMQYOLWTM-HSZRJFAPSA-N 438.528 4.135 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N(C)[C@H](C)c2ccccc2)CC1 917229319 OINOPCCHHKPRHW-GOSISDBHSA-N 439.512 4.208 5 20 IIBD COc1ccc([C@H]2CCCCCN2C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 918314548 FQBBBTNRYWASKQ-GOSISDBHSA-N 431.876 4.339 5 20 IIBD O=C(N[C@H](Cc1ccccc1)c1ccccc1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 918556185 XFOHNVQVIUYOEA-DENIHFKCSA-N 447.466 4.187 5 20 IIBD C[C@H](OCc1ccccc1)C(=O)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 918634895 SNHXYNUXJPUAJC-RXVVDRJESA-N 440.496 4.128 5 20 IIBD C[C@@H](OC(=O)c1c(O)cccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 920733530 IPHAKPJERSOTGB-MRVPVSSYSA-N 432.738 4.157 5 20 IIBD Cc1ccc([C@H](C)NC(=O)COC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1C 920778870 NKRTZYHBUDVXPR-LSDHHAIUSA-N 434.876 4.053 5 20 IIBD COc1ccc(C(=O)COC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1Cl 920779033 ZFDWZAXTAYJXBC-SNVBAGLBSA-N 428.224 4.104 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@H](N3[C@@H](C)CC[C@H]3C)C2)CC1 920806644 ZIEGVROHUQHPQU-ZVDOUQERSA-N 428.577 4.309 5 20 IIBD CC(C)(C)c1ccc(Cc2noc(CSc3ccc(C(N)=O)cc3[N+](=O)[O-])n2)cc1 1254819800 DSPDVLXFUUBUJA-UHFFFAOYSA-N 426.498 4.257 5 20 IIBD COC(=O)[C@](C)(NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 1318642073 ZUIFVUQMIOLFJM-XMMPIXPASA-N 433.464 4.025 5 20 IIBD Cc1ccc(OS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)c2c1[C@@H](C)CC2=O 1319380514 QQTJYRFBFBYTMP-JTQLQIEISA-N 440.271 4.123 5 20 IIBD O=C1CN(c2ccc(NCc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)cc2)CCN1 1319874117 FXFXIRCYBSIZDB-UHFFFAOYSA-N 426.860 4.057 5 20 IIBD CCN(CC)C(=O)C1=C(C)N(c2ccccc2F)C(=S)N[C@H]1c1ccc([N+](=O)[O-])s1 1320851489 MKHOTADJIPUWEH-SFHVURJKSA-N 448.545 4.374 5 20 IIBD COc1ccc(C(=O)C2CCN(Cc3ccc([N+](=O)[O-])cc3Br)CC2)cc1 1321387100 OVGOXGUNHXVHMW-UHFFFAOYSA-N 433.302 4.461 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)N2CCc3cc(-c4csc(C)n4)ccc32)c1 1323353793 NZYBKVYDBUCECA-UHFFFAOYSA-N 437.477 4.081 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)c1Br 1323791892 DNFHCFLYRSRDER-INIZCTEOSA-N 431.290 4.013 5 20 IIBD COc1cc(C(=O)OCc2csc(C(F)(F)F)n2)c([N+](=O)[O-])cc1OC(F)F 1324775255 AKEHFWUPPXQRNO-UHFFFAOYSA-N 428.291 4.037 5 20 IIBD Cc1nc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CCC2)cs1 1785747754 JMHJLILXKQDEPK-UHFFFAOYSA-N 426.454 4.014 5 20 IIBD O=C(NC1(c2ccc(NC(=O)C3CC(F)(F)C3)cc2)CCC1)c1cc(O)cc([N+](=O)[O-])c1 1785908976 AMDWPFHBCNLPOR-UHFFFAOYSA-N 445.422 4.093 5 20 IIBD Cc1c[nH]cc1C(=O)Nc1ccc(C2(NC(=O)c3cccc(F)c3[N+](=O)[O-])CCC2)cc1 1788732910 TWDQAYUOVKTQQW-UHFFFAOYSA-N 436.443 4.432 5 20 IIBD Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccco4)CCC3)cc2)cc1[N+](=O)[O-] 1790526339 OQDMGPFEOLWIDH-UHFFFAOYSA-N 433.464 4.487 5 20 IIBD C[C@H](C(=O)Nc1ccc(C2(NC(=O)Cc3cccc([N+](=O)[O-])c3)CCC2)cc1)n1cccc1 1791784946 UVXHRABOOUUXGT-GOSISDBHSA-N 446.507 4.334 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2cc[nH]c2c1 1797338229 XMXITNVJTLNSQB-YSUBUNCUSA-N 444.491 4.041 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H]1C[C@@H]2CC[C@H]1C2 1801731977 BUVYWHAHWJFEMM-PCWJODRTSA-N 437.540 4.073 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccccc3o2)[nH]n1)c1ccc([N+](=O)[O-])[nH]1 1820364626 BPXFSWUXRHTYOM-MRXNPFEDSA-N 448.439 4.012 5 20 IIBD O=C([C@@H](F)c1ccccc1)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823610185 AWVIFVVKEHRQBJ-NQIIRXRSSA-N 443.475 4.132 5 20 IIBD Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)o1 1830492345 DNZYINMLRCNIPS-FQEVSTJZSA-N 443.475 4.182 5 20 IIBD O=C(c1ccsc1)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830615276 UTAXQEWFBCJCRT-HXUWFJFHSA-N 445.516 4.343 5 20 IIBD COC(=O)C1=C(C)NC(C)=C(C(=O)OCC=Cc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 1857776925 XTFPDGZNWTZCMF-HSZRJFAPSA-N 448.475 4.259 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)OCCOc2ccccc2)cc1[N+](=O)[O-] 9947774 DMSXLJXLDPOLTB-UHFFFAOYSA-N 434.448 4.128 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1)C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 10286404 RLUQXIRROZBJDP-MNOVXSKESA-N 427.240 4.239 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)NCc3nnc4n3CCCCC4)cc2[N+](=O)[O-])cc1 14485133 PHAHIMZVNWHDJI-UHFFFAOYSA-N 437.525 4.302 5 20 IIBD Cc1cccc(NC(=O)NC(=O)COC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1C 16673748 DDOCRKBRFGPEEP-UHFFFAOYSA-N 427.457 4.014 5 20 IIBD Cc1ccc([C@@H](NC(=O)COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c2cccs2)cc1 17526836 MHOFUAHTIDNMAV-IYJBSMEOSA-N 436.489 4.427 5 20 IIBD COc1ccc(-c2nc(C(=O)O[C@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cs2)cc1 19176452 PFCYWCDDJKHJBD-LLVKDONJSA-N 445.428 4.050 5 20 IIBD CCn1c(SCC(=O)c2ccc(CNC(C)=O)cc2)nc2cc3ccccc3cc2c1=O 22178756 DFFFPIJTVJTANQ-UHFFFAOYSA-N 445.544 4.181 5 20 IIBD CC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2nc3cc4ccccc4cc3c(=O)n2C)cc1 22254570 HCKRTCMGINYPJB-CQSZACIVSA-N 431.517 4.409 5 20 IIBD COCCn1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nc2cc(Cl)ccc21 24048578 NNQMVMZWVUHVEA-GFCCVEGCSA-N 434.905 4.364 5 20 IIBD Cc1nc(-c2cccc(Cl)c2)sc1C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] 26677588 JHUJHDZFOCOBJT-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD O=C(CCSc1nnc(-c2ccncc2)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 31687467 JOHDNPMBKIEXAH-UHFFFAOYSA-N 446.492 4.358 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(OCc2cc(-c3ccc(C)cc3)no2)c([N+](=O)[O-])c1 32316518 GXKNINJMGPKNHI-UHFFFAOYSA-N 445.497 4.168 5 20 IIBD Cc1noc(C)c1CSc1ccccc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 33180580 XPRHPUUAMXESGR-UHFFFAOYSA-N 426.498 4.334 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 58723741 ZAJVCUUERYHLQI-UHFFFAOYSA-N 448.504 4.067 5 20 IIBD O=C(NCCCc1nc2c(s1)CCCC2)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 110519924 IRVHNTBDVKCDCS-UHFFFAOYSA-N 443.447 4.234 5 20 IIBD O=C(c1ccnc2ccccc12)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 247306596 GXZCJXOOXBABJW-UHFFFAOYSA-N 430.386 4.124 5 20 IIBD CC[C@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccncc1 303852879 KJJVFPAGGBJTFE-KRWDZBQOSA-N 436.434 4.493 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)N(C)Cc2cccc(Br)c2)cc1[N+](=O)[O-] 392150685 YGILNBZKVPREOY-UHFFFAOYSA-N 433.711 4.140 5 20 IIBD Cn1ccnc1[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(Cl)cc1 429955028 ZXTBDKMPTTWNCE-INIZCTEOSA-N 449.692 4.264 5 20 IIBD O=C(O)Cn1ccc2cc(NC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)ccc21 431679259 PZYBJRHQLNUGBP-UHFFFAOYSA-N 429.407 4.112 5 20 IIBD O=C(Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 433963612 AEIQKIUZCARFJB-UHFFFAOYSA-N 449.206 4.465 5 20 IIBD Cn1cnnc1Sc1ccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 435933994 GJTGMDJOJGMNOU-UHFFFAOYSA-N 427.489 4.213 5 20 IIBD C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 436004255 JWMDKYGEQYBZRK-GASCZTMLSA-N 427.495 4.057 5 20 IIBD CC(C)n1nc(-c2ccccc2)cc1NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 437064471 UQPXPAJGCSQJQT-UHFFFAOYSA-N 447.495 4.169 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)cc1OC 437316631 WJSJTIQDPKPBBN-DZGCQCFKSA-N 435.274 4.051 5 20 IIBD CC[C@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1cccc(C(F)(F)F)c1 437695504 JACPKOWTODRAOR-IBGZPJMESA-N 449.429 4.092 5 20 IIBD CC[C@@H]1Oc2cc([C@H](C)NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)ccc2NC1=O 444130479 LKQQJSACTNAFCU-FPTDNZKUSA-N 441.487 4.282 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)[C@@H](OC1CCOCC1)c1ccccc1 444916154 AJTTUFKXVZPCED-YCRPNKLZSA-N 429.473 4.050 5 20 IIBD COc1ccc(NC(=O)CNc2ccc(Oc3ccc(Cl)cn3)cc2)c([N+](=O)[O-])c1 462186577 JNMJRRHJJHKEBE-UHFFFAOYSA-N 428.832 4.495 5 20 IIBD CN(CC(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1ccccc1[N+](=O)[O-] 463639117 NRKVBWIAASGTME-UHFFFAOYSA-N 425.489 4.078 5 20 IIBD COC(=O)Cn1cc(NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])cn1 464448601 OSBMKQGMIYKUSO-UHFFFAOYSA-N 446.872 4.021 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ccc(SCc2cccnc2)cc1 465053195 IVHSGWFXSXCJFW-UHFFFAOYSA-N 437.477 4.235 5 20 IIBD Cn1c(-c2cccc(NC(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)c2)nc2ccccc21 465160533 ZZTKKWLMKQEOTK-UHFFFAOYSA-N 444.447 4.101 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC(F)(c2cccc(Cl)c2)CC1 466884502 MBNWDXAQWJVBIL-UHFFFAOYSA-N 434.851 4.049 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1c(F)cc(F)cc1-c1ccccc1 466999553 YQRDDGAQUSVICL-UHFFFAOYSA-N 426.375 4.492 5 20 IIBD Cc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 470003998 VMESOUGSZIBJMC-UHFFFAOYSA-N 437.403 4.454 5 20 IIBD CCOc1cc(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)ccc1[N+](=O)[O-] 471252887 UXTUWKMHUWYWSR-UHFFFAOYSA-N 430.814 4.387 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 473502117 JBSXEWGLSAQYLJ-HSZRJFAPSA-N 425.554 4.202 5 20 IIBD O=C(NC[C@@H]1CCCC1=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 476911441 FFYCWCPBXIAQKJ-ZDUSSCGKSA-N 427.507 4.455 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3cc4cc(F)ccc4s3)CC2)ccc1[N+](=O)[O-] 477344563 DXWKJXXMYGPGRG-UHFFFAOYSA-N 429.473 4.310 5 20 IIBD CC(C)[C@@H](CC(=O)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1)c1ccccc1 478095137 ZYIMQFFKGJEGRL-HXUWFJFHSA-N 435.528 4.340 5 20 IIBD O=C(CC1CCCC1)NC1CCC(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 479375539 MRMWFRTZGNMOTD-UHFFFAOYSA-N 435.952 4.162 5 20 IIBD COc1ccc2[nH]cc(C3CCN(S(=O)(=O)c4c(C)ccc(C)c4[N+](=O)[O-])CC3)c2c1 481062909 VTEILSMERIWXEG-UHFFFAOYSA-N 443.525 4.270 5 20 IIBD Cc1c([C@@H](NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)C)oc2ccccc12 482830635 YIUUNFIAPVFNGZ-FQEVSTJZSA-N 441.509 4.354 5 20 IIBD O=[N+]([O-])c1ccc2nc(CSc3nnc(N4CCCCC4)n3-c3ccccc3)[nH]c2c1 484478709 DVZNHCTWVRBNGC-UHFFFAOYSA-N 435.513 4.334 5 20 IIBD COc1ccc(C2(CNC(=O)c3sc(Br)cc3[N+](=O)[O-])CCC2)cc1 486117509 FZEXYTUCSWMAPY-UHFFFAOYSA-N 425.304 4.279 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1nnnn1-c1ccccc1 486742675 PTWPYYNYIYBUBF-HNNXBMFYSA-N 446.492 4.213 5 20 IIBD CC(C)n1cnnc1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 487179675 PRBBPYGKRYABFZ-IBGZPJMESA-N 448.527 4.399 5 20 IIBD O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)N[C@@H](c1ccccc1)C1CCCCC1 489012772 IXLYMNDLUVVXPD-VWLOTQADSA-N 446.507 4.256 5 20 IIBD COc1cc(C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c([N+](=O)[O-])cc1OCc1cscn1 494063096 RUFCUMSEXHWHOS-HOSILWTGSA-N 431.514 4.193 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2nc3ccccc3n2C(C)C)cc1OC 495502234 OMGAZOZYXIYMTN-CQSZACIVSA-N 426.473 4.424 5 20 IIBD O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1c1nc2sccn2c1[N+](=O)[O-] 498856267 PIQRBWHWUDIAOE-GFCCVEGCSA-N 426.285 4.218 5 20 IIBD Cc1cnc(O)n1-c1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 501983537 MMYIVWZXZSMSPH-UONOGXRCSA-N 443.891 4.126 5 20 IIBD C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)c1nncn1C 507588014 MJZAYLIUDZCRQR-GFCCVEGCSA-N 431.905 4.061 5 20 IIBD COc1cc(CN2CCC(O)(C(F)(F)F)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 508641304 RTSYHMFOUZOFMP-UHFFFAOYSA-N 440.418 4.072 5 20 IIBD CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1I)c1ccccc1 511246548 JPDMRYJPASSXFO-MRXNPFEDSA-N 438.265 4.369 5 20 IIBD O=C(NCCc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1I 511261537 YQDAMGSTABJEBA-UHFFFAOYSA-N 446.244 4.325 5 20 IIBD O=C(N1CCCc2c1cccc2[N+](=O)[O-])C1(c2ccc(Br)cc2)CCOCC1 513832130 DFISFVKGQPVVEE-UHFFFAOYSA-N 445.313 4.385 5 20 IIBD COc1cc(C(=O)NCCOCC(F)(F)F)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 514699126 YMNKXLLTJQXGRT-UHFFFAOYSA-N 448.781 4.358 5 20 IIBD CC(C)[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)N1CCc2ccccc2C1 515606458 NMCQEFGCPOJBSA-XMMPIXPASA-N 436.556 4.326 5 20 IIBD COC(=O)c1cc(NC(=O)c2cnn(-c3ccccc3C)c2C(F)(F)F)cc([N+](=O)[O-])c1 522870513 QZGMKNUYLHNABT-UHFFFAOYSA-N 448.357 4.147 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 523729686 HDTSWFSUBJEWIX-MRXNPFEDSA-N 431.514 4.027 5 20 IIBD Cc1ccc(SCC(F)(F)F)c(NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)c1 524241134 QZTZSXHPTPDCOJ-UHFFFAOYSA-N 441.387 4.104 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)cc1[N+](=O)[O-] 524298781 WYZMXSIBOSVALF-UHFFFAOYSA-N 447.416 4.255 5 20 IIBD COC(=O)C[C@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccc(SC)cc1 524461114 JOYUUJKJANXMOZ-UGSOOPFHSA-N 434.539 4.218 5 20 IIBD O=C(c1cnn(Cc2ccccc2Cl)c1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 524653624 CLYZLFUZOJKXAM-FQEVSTJZSA-N 428.901 4.381 5 20 IIBD CN(CC1(c2ccc(Br)cc2)CC1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 525485506 KZAGDFHIESDRTG-UHFFFAOYSA-N 429.274 4.037 5 20 IIBD CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 530795301 BABBLOACNPEBFK-LJQANCHMSA-N 434.500 4.187 5 20 IIBD COc1ccc(OC2CCN([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 533241169 QJXIPXAPMJFXOC-AWEZNQCLSA-N 433.892 4.127 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(c2ccccc2OC)C1=O 538560649 QHJBUOVUUSYJRX-QGZVFWFLSA-N 443.525 4.031 5 20 IIBD COc1cc(CNc2cccc(NC(=O)CN3CCCCCC3)c2)c([N+](=O)[O-])cc1OC 538834564 FFJHRWVSNRNXJJ-UHFFFAOYSA-N 442.516 4.039 5 20 IIBD C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 539992385 AXFNRECGMWDCOF-AWEZNQCLSA-N 445.426 4.129 5 20 IIBD CC(C)N1CCc2nc(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)sc2C1 541271467 VJYNUKWHVNEROV-UHFFFAOYSA-N 429.527 4.194 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCNC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 541739859 AASGZRRBHCOJCO-UHFFFAOYSA-N 432.448 4.026 5 20 IIBD Cc1c(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)oc2c(Br)cccc12 542952432 XFOMQTGJZLNKDO-GFCCVEGCSA-N 445.273 4.134 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 542986017 NDGOXYSNIQHWHK-WFASDCNBSA-N 436.394 4.258 5 20 IIBD CCOc1cc(Cc2noc(Cc3ccc(OC)c([N+](=O)[O-])c3)n2)ccc1OC(F)F 544303637 PMPTYCOBDUYQBU-UHFFFAOYSA-N 435.383 4.168 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](c1ccc(Cl)cc1)c1ccn(C)n1 545109241 PIKWUAHKIWVQSN-ORAYPTAESA-N 430.917 4.368 5 20 IIBD Cn1ccc([C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c2ccc(Cl)cc2)n1 545110552 NSNXDHNFNULRTK-QGZVFWFLSA-N 449.692 4.264 5 20 IIBD CN(C(=O)c1ccncc1)c1ccc(-c2noc(CCc3cccc([N+](=O)[O-])c3)n2)cc1 546422439 QAXHNUCTWCXTCH-UHFFFAOYSA-N 429.436 4.102 5 20 IIBD Cc1nc2ccc(-c3noc(CCCn4c(=O)oc5cc([N+](=O)[O-])ccc54)n3)cc2s1 546444339 PXEVTCAZZMKUGH-UHFFFAOYSA-N 437.437 4.104 5 20 IIBD COc1cc(Cc2noc([C@H](C)Oc3cccc(Br)c3)n2)ccc1[N+](=O)[O-] 547190262 PKHWLKOAQBCJRQ-NSHDSACASA-N 434.246 4.480 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)cc1[N+](=O)[O-] 551475344 WZHFMHHCOOXPBE-SFHVURJKSA-N 441.484 4.027 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc4ccn(C)c(=O)c4c3)cc2[N+](=O)[O-])C1 552811026 GARYWVVQSQMDTI-HOTGVXAUSA-N 434.496 4.181 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@@H](C)[C@H]3OCCc4sccc43)cc2[N+](=O)[O-])CC1 554208958 QVXVMKNSPLWQLG-YCRPNKLZSA-N 429.542 4.325 5 20 IIBD Cc1cnc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c(Br)c1 556425874 TUCYQTDKPFBQKH-UHFFFAOYSA-N 429.068 4.384 5 20 IIBD O=C(Nc1cccc2cc(Br)cnc12)N1CCOc2ccc([N+](=O)[O-])cc2C1 558508952 KQCCLFRERRPSQI-UHFFFAOYSA-N 443.257 4.332 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)n1 561101293 OGARAXICLNUEBI-UHFFFAOYSA-N 447.426 4.380 5 20 IIBD O=[N+]([O-])c1cc2c(NC3CCN(Cc4ccc(Br)cc4)CC3)ncnc2s1 561260404 DPBVSNPRNFZJNF-UHFFFAOYSA-N 448.346 4.439 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCc1cccc(Cn2cnc3ccccc32)c1 566334489 NUPLHFWCUUWAOR-UHFFFAOYSA-N 443.507 4.377 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCCN2c3ccccc3C[C@@H]2C1 570371522 QPEGCYRJPOKYCQ-GOSISDBHSA-N 445.469 4.237 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1[N+](=O)[O-] 572653828 SFUGHJDPVQHQAV-VQTJNVASSA-N 443.475 4.006 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1 577194568 GNSBFYFQMFRKFC-UHFFFAOYSA-N 437.456 4.216 5 20 IIBD Cc1c(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])cnn1-c1ccc(Br)cc1 578253082 HFUMZWDJVDXOTI-UHFFFAOYSA-N 443.301 4.166 5 20 IIBD CN(CC(=O)NC(c1ccccc1)c1ccccc1)Cc1nc2cc([N+](=O)[O-])ccc2o1 590018760 CTWNNKILPVQLEN-UHFFFAOYSA-N 430.464 4.074 5 20 IIBD COc1ccc([C@@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c2ccccc2)cc1 603659658 GLMPFJJCYMJYEX-QHCPKHFHSA-N 428.448 4.309 5 20 IIBD Cn1c(SCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)nnc1-c1ccccc1Cl 603748454 SQBPEDQRIGQSAJ-UHFFFAOYSA-N 428.861 4.386 5 20 IIBD Cc1cc(C)c(-c2csc(NC(=O)CNC(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)c(C)c1 603926157 RDARHBSBVOEYSZ-UHFFFAOYSA-N 438.509 4.320 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 604167944 ZEZAGFUZXNCMRJ-UHFFFAOYSA-N 444.900 4.203 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 608962522 GQHFCOXSKVLHBJ-HXUWFJFHSA-N 433.867 4.201 5 20 IIBD COc1ccc(-c2nsc(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)n2)cc1 609127735 XZBUEYHAIKJEHW-UHFFFAOYSA-N 439.478 4.498 5 20 IIBD CC(C)(C(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1)n1cc([N+](=O)[O-])cn1 609454536 YLJKYOSWQDOSNI-OAQYLSRUSA-N 447.495 4.142 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2cccnc2Oc2ccccc2)no1 609475355 QOMVOPPPBIWAEQ-CQSZACIVSA-N 431.408 4.323 5 20 IIBD CCOC(=O)c1cc(N2CCC(c3c(OC)cc(OC)cc3OC)CC2)ccc1[N+](=O)[O-] 610714857 BZWWPKVJKXLLRB-UHFFFAOYSA-N 444.484 4.181 5 20 IIBD CC1CCN(Cc2ccc(-c3noc([C@H](C)NC(=O)c4cccc([N+](=O)[O-])c4)n3)cc2)CC1 612896911 CQHITVAGOBGWBK-KRWDZBQOSA-N 449.511 4.368 5 20 IIBD Cc1cc(C)c(S(=O)(=O)N(C)CCCc2cc(-c3ccc(F)cc3)no2)cc1[N+](=O)[O-] 617231358 BBUOKFPZPBIMEN-UHFFFAOYSA-N 447.488 4.259 5 20 IIBD CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1ccc(F)cc1F 619840275 AYFIPPKUNFVKCI-UHFFFAOYSA-N 431.443 4.195 5 20 IIBD CCN1C[C@H](CN(C)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)Oc2ccccc21 681951193 LLWKIAXOUXSZOF-SFHVURJKSA-N 427.504 4.041 5 20 IIBD Cc1ccc(NC(=O)c2cccc(OC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)c2)cc1 727327644 LCFAFZTWEXRHGZ-UHFFFAOYSA-N 434.404 4.146 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 728234536 IQBRSBBKLYTNNN-UHFFFAOYSA-N 429.301 4.271 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1SC 728658758 WUQOGYXWIWLJOD-VIFPVBQESA-N 442.852 4.302 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1csc(I)c1 730743507 MDOQTTPXNHMVBD-UHFFFAOYSA-N 436.658 4.187 5 20 IIBD O=C(OCCN1C(=O)NCc2ccccc21)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 730935912 LNEHHYFWLSLAFL-UHFFFAOYSA-N 446.463 4.094 5 20 IIBD Cc1ncc(/C=C/C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)s1 732866715 QGPMLRTUGJUVEW-XUIVZRPNSA-N 444.494 4.067 5 20 IIBD CC(C)(Oc1cccc(Cl)c1)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 733011739 GFLLQXKSPOEUSK-UHFFFAOYSA-N 427.240 4.241 5 20 IIBD CC(=O)c1c(C)cc(C)c(COC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c1C 733557631 OKSLJUFXNNCRHM-QGZVFWFLSA-N 444.509 4.132 5 20 IIBD Cc1nc(-c2ccccc2)ccc1C(=O)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 735338816 AOLUPWFXZNSLDR-UHFFFAOYSA-N 433.420 4.120 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(CSc2nc(CN3CCOCC3)nc3ccccc23)c1 735413746 JDKIXWRYMIMPSI-UHFFFAOYSA-N 430.917 4.316 5 20 IIBD Cc1c(Cl)cccc1OCC(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 736908250 UWXFXAPYCSUOLZ-LLVKDONJSA-N 427.240 4.159 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Br)Nc1cc(Cl)ccc1Cl 740410695 RIVBIQFSGJZJER-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 742565993 QZBAWTWHXOAQBG-YWZLYKJASA-N 443.500 4.122 5 20 IIBD CCS(=O)(=O)c1ccc(F)c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 744382964 CDMPPUBKYYDILC-UHFFFAOYSA-N 442.468 4.375 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)C1(c2cccs2)CCCCC1 745067292 NAAHJJSCUCZVOG-AWEZNQCLSA-N 432.498 4.437 5 20 IIBD CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])c1 745347379 DIHXYGHQLNUBKB-UHFFFAOYSA-N 447.875 4.418 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC(N(C)CC(F)F)CC2)c([N+](=O)[O-])c1 746481352 GYVYGSXXRNFQNY-JOCHJYFZSA-N 446.498 4.244 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)cc2)C[C@H](C)O1 747396907 SEGQXNKKDSJWAE-ROUUACIJSA-N 438.528 4.064 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)ccc2OC(F)F)c([N+](=O)[O-])c1 748917309 KXCXSDHBHACMNA-SECBINFHSA-N 444.774 4.042 5 20 IIBD O=C(CCn1cccc1)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 750941369 VXTBPNSMPDVWDG-FQEVSTJZSA-N 427.844 4.363 5 20 IIBD COc1ccc(C(=O)OCC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1OC1CCCC1 751974360 AOVOZOJGEKGKIU-UHFFFAOYSA-N 428.441 4.029 5 20 IIBD CCOC(=O)CC[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)C1 752220419 GSEKBSOADFOAMY-GOSISDBHSA-N 431.533 4.027 5 20 IIBD CC[C@H](CC(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1ccc(OC)cc1 752491840 MZJJBEWOFMUQBA-GOSISDBHSA-N 427.501 4.342 5 20 IIBD C[C@@H](OC(=O)c1cncc2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 753883266 SMQNVPYBQHSUKV-LLVKDONJSA-N 433.342 4.346 5 20 IIBD Cc1nc[nH]c1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 754353044 GVELORGBVXFDQS-UHFFFAOYSA-N 433.512 4.015 5 20 IIBD C[C@H](C(=O)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1F 754420380 MNKMXBBLWZFLQS-RBZFPXEDSA-N 425.372 4.473 5 20 IIBD C[C@H](OC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccc(N2CCCCC2)cc1 755066715 GPFDSXFIKXUOSB-CVEARBPZSA-N 443.475 4.398 5 20 IIBD CCOc1cc(COC(=O)C2(CC)CCN(C(=O)c3ccccc3)CC2)ccc1[N+](=O)[O-] 755569611 ZOYHSNUCKWICOY-UHFFFAOYSA-N 440.496 4.369 5 20 IIBD Cn1ccc([C@@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c2ccc(Cl)cc2)n1 762576087 LJKPUPADWPSDTN-SFHVURJKSA-N 434.283 4.224 5 20 IIBD C[C@@H](C(=O)OC[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1cccc([N+](=O)[O-])c1 764073941 RXUWQUHXOBZMBP-ZIAGYGMSSA-N 447.285 4.057 5 20 IIBD CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cc1 764281947 ALSKUZVLYDAVGL-CQSZACIVSA-N 433.892 4.034 5 20 IIBD C[C@H](OC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1)c1ccccc1[N+](=O)[O-] 764595589 FZMFGBHPCSUPLM-AUQXIXNCSA-N 431.408 4.144 5 20 IIBD CCS(=O)(=O)c1ccc2oc(CSc3nc4ccc([N+](=O)[O-])cc4s3)nc2c1 767928798 SBSJWWZCZJTUHI-UHFFFAOYSA-N 435.508 4.432 5 20 IIBD Cc1cc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)nn1CCCOc1ccc(F)cc1 768034596 MONUHNVDPGPQRV-UHFFFAOYSA-N 434.374 4.238 5 20 IIBD CC(=O)[C@@H](Cc1cccc(Cl)c1F)OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 768368136 DZLFZRRFDHQXRV-HXUWFJFHSA-N 448.878 4.347 5 20 IIBD O=C(NC[C@@H](O)c1ccc(-c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1Br 768560852 MEMMGZZWPJAXOW-HXUWFJFHSA-N 441.281 4.488 5 20 IIBD COc1ccc(-c2ccc(CN3CCc4c(cccc4N4CCOC4=O)C3)o2)c([N+](=O)[O-])c1 769501728 AEYSOOIJNGXGPW-UHFFFAOYSA-N 449.463 4.378 5 20 IIBD O=C(OCc1ncc(-c2ccc(Cl)cc2)o1)c1cc(Br)ncc1[N+](=O)[O-] 769836516 JFGMVEZEZQSHLT-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD CCc1ccc(C(=O)Nc2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc1[N+](=O)[O-] 773406239 KHYKZYDVSVNRRA-UHFFFAOYSA-N 426.473 4.098 5 20 IIBD CN(C)c1ccc(C2CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)CC2)cc1 774075141 LDQDXRAVQKYLTG-UHFFFAOYSA-N 436.556 4.283 5 20 IIBD C[C@H](OC(=O)c1ccc(-c2csc(N)n2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 775884789 WXZLWHODUSKGDV-JTQLQIEISA-N 446.872 4.138 5 20 IIBD C[C@@H]1C[C@H](C(=O)O[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)CCO1 776420398 WUGBRFQVXNOWKF-ZXYWRSMDSA-N 432.860 4.286 5 20 IIBD COc1cc(COC(=O)/C=C/c2ccc(Cl)nc2)c([N+](=O)[O-])cc1OCC(F)F 780077911 VTFSVTFQAOLHJK-HWKANZROSA-N 428.775 4.052 5 20 IIBD O=C(O[C@H]1CCOC[C@H]1OCc1ccccc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 781565065 ONLBOEZROWDMBX-BJKOFHAPSA-N 429.472 4.212 5 20 IIBD CCC[C@@H](NC(=O)COC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccccc1 781675507 GCCQHQVGMBNGTC-OAHLLOKOSA-N 435.274 4.172 5 20 IIBD COc1ccc(C(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])nc1Br 781828108 XIDRDEGQFDMBSR-KRWDZBQOSA-N 444.241 4.102 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 783849294 JPXSSBRAAHKAHU-DLBZAZTESA-N 435.524 4.247 5 20 IIBD CN(C(=O)COC(=O)c1cc(-c2ccccn2)nc2ccccc12)c1ccc([N+](=O)[O-])cc1 785444325 FESZAKPXSQCTMD-UHFFFAOYSA-N 442.431 4.025 5 20 IIBD CC(C)(C)NC(=O)c1ccccc1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 785805399 MOMDFNIPOTXPEP-UHFFFAOYSA-N 438.406 4.464 5 20 IIBD C[C@H](C(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1)c1ccc([N+](=O)[O-])cc1F 791039549 SIWBZSBTHAVURQ-INIZCTEOSA-N 449.523 4.477 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)C1CCC(O)CC1 795646471 WKQMWTOOVOCYJL-GSQSYGFSSA-N 432.860 4.022 5 20 IIBD O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)Oc1ccc(F)cc1Cl 795759532 SCCNQLJQRPFRIH-UHFFFAOYSA-N 428.594 4.057 5 20 IIBD COc1cccc(C(=O)CCCC(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)c1 795996912 LNKQSDBJQCTDBO-UHFFFAOYSA-N 436.258 4.462 5 20 IIBD COc1ccc(/C=C\C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 798142704 VTRZDUOXFZEKPR-JSJZCHLLSA-N 438.358 4.206 5 20 IIBD O=C(COC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(C(F)(F)F)cn1 805429694 BVDSCZSZAVKJQV-UHFFFAOYSA-N 437.355 4.172 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl 809919866 ILZDDMPRALGODS-UHFFFAOYSA-N 441.271 4.369 5 20 IIBD CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 810814967 BOBPPNRRMFENSA-LEWJYISDSA-N 443.544 4.369 5 20 IIBD O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(OCC(F)(F)F)nc1 811216448 KVEVPELTEPYGDB-UHFFFAOYSA-N 439.371 4.411 5 20 IIBD COc1ccc2nc(Cl)ccc2c1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1Cl 811832688 WBIPTWAQBQMCLK-UHFFFAOYSA-N 428.253 4.259 5 20 IIBD CCc1ccc(C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC2)cc1 812894505 LVNPVKOAUOHBHT-UHFFFAOYSA-N 436.295 4.062 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C(=O)Nc1ccc(OC(F)F)cc1 815511153 XVICVDPVMCKWJE-SECBINFHSA-N 448.300 4.399 5 20 IIBD Nc1ccc(NC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)cc1[N+](=O)[O-] 819909728 GMVKRMNVXJNGPK-YKSBVNFPSA-N 444.491 4.296 5 20 IIBD C[C@H](OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1Cl 849194109 AYLWLHLVLIVHPC-NSHDSACASA-N 449.250 4.271 5 20 IIBD CCOc1ccc(C(=O)O[C@H](C(=O)Nc2cccc(C(C)=O)c2)C(C)C)cc1[N+](=O)[O-] 877877632 BGRNXGWCZDZAFG-FQEVSTJZSA-N 428.441 4.016 5 20 IIBD Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)cc1 917875345 UBVCKNLGTAQNBT-INIZCTEOSA-N 425.304 4.192 5 20 IIBD COCc1nc2ccccc2c(C)c1C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 918937233 NIFYPQNXSAWZQS-UHFFFAOYSA-N 434.408 4.005 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1nc(-c2ccc(F)c(Cl)c2)cs1 920009972 LKZQGAXJQJXCMR-UHFFFAOYSA-N 431.836 4.499 5 20 IIBD C[C@@H](OCC1CC1)C(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 920781657 UPMBNRJRJPRXTR-YJYMSZOUSA-N 432.860 4.286 5 20 IIBD O=C(OCc1cc(Cl)c2c(c1)OCCCO2)C1CCN(c2ccccc2[N+](=O)[O-])CC1 921243455 KEISALYUCHVAAN-UHFFFAOYSA-N 446.887 4.369 5 20 IIBD Nc1c(-c2nnc(-c3nc(-c4ccccc4)n(-c4ccccc4)n3)o2)cc(F)cc1[N+](=O)[O-] 1117176315 AGHMXJLKNWFQQZ-UHFFFAOYSA-N 443.398 4.281 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CCCC[C@H]2C1 1256639058 OAEAUPQUPPAOPC-OLZOCXBDSA-N 428.270 4.160 5 20 IIBD O=C(Cn1cc(C(F)(F)F)ccc1=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 1339663350 ARCDKZIHULTGEP-UHFFFAOYSA-N 431.370 4.009 5 20 IIBD COCCN(Cc1cc(Br)cs1)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 1517311788 AXMCFPCFKHCHKL-UHFFFAOYSA-N 444.307 4.108 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)cc1 1799678728 VPTTWJCRBQOFQL-BJWYYQGGSA-N 445.878 4.261 5 20 IIBD Cc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2c(C)cccc2C)cc1[N+](=O)[O-] 1800555258 WRZBAKOYGSDSDW-WKCHPHFGSA-N 435.524 4.015 5 20 IIBD CCCn1c(SCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)nnc1-c1cccc(C)c1 11323574 DPWZTOFRFHFJMF-UHFFFAOYSA-N 425.514 4.327 5 20 IIBD C[C@H](Sc1nnc(NCc2ccccc2)s1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 11409197 QLPWKUDJWJYHFG-NSHDSACASA-N 433.490 4.317 5 20 IIBD Cc1c(C(=O)OCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)cccc1[N+](=O)[O-] 18224176 PIWZMIKLFYOBAT-FQEVSTJZSA-N 428.441 4.166 5 20 IIBD CNC(=O)c1cccc(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)c1 23320547 ULIZPSYPCWZDPU-UHFFFAOYSA-N 438.871 4.472 5 20 IIBD O=C(COC(=O)CSc1ccccc1[N+](=O)[O-])N[C@H](c1ccccc1)c1cccs1 27737573 HEOMQHIYKGHGGE-OAQYLSRUSA-N 442.518 4.197 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccc([N+](=O)[O-])o1 28293174 WIWDAMJUMTYIJT-KRWDZBQOSA-N 445.771 4.286 5 20 IIBD O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 58771531 PNNCQGLVDIQEHF-GOSISDBHSA-N 428.395 4.189 5 20 IIBD CCCNC(=O)c1cccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1 60424310 UOGKFKJFPDCTBQ-CALCHBBNSA-N 438.528 4.469 5 20 IIBD CC(C)C(=O)NC1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 60425139 IRRNNHSPOKSVHY-UHFFFAOYSA-N 445.903 4.417 5 20 IIBD O=C(NCCc1ccccc1Br)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 61262941 CWIPTBVMJIBUNX-UHFFFAOYSA-N 447.207 4.271 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NCc2ccc(Oc3cccnc3)c(F)c2)c([N+](=O)[O-])c1 64113605 ZXBNFHZTUJCTPH-UHFFFAOYSA-N 447.426 4.498 5 20 IIBD CCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 65151198 OUUJSUPKAFDXOH-SFHVURJKSA-N 441.553 4.433 5 20 IIBD Cn1cnnc1Sc1ccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 65323955 SQSFZBPAYPGGME-UHFFFAOYSA-N 438.494 4.250 5 20 IIBD O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 97288007 MHAKAYIYPZFQCT-QHCPKHFHSA-N 438.447 4.176 5 20 IIBD CC(=O)Nc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)sc2c1 105557715 ROYGKZZWHBXWHB-UHFFFAOYSA-N 439.497 4.406 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1-c1ccc(Cn2cccn2)cc1 110621572 LCXHGNZWTQRTSY-UHFFFAOYSA-N 442.475 4.445 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NC[C@@H](O)c1ccc(Cl)cc1 301064907 HGFIFYQOLWBBHE-HXUWFJFHSA-N 447.900 4.195 5 20 IIBD C[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1noc(-c2ccccc2)n1 426047140 QRGXCCBJQGJNIZ-NSHDSACASA-N 435.362 4.224 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCO[C@@H](c2cccc(F)c2)C1 426279128 OTAVQHNWMLGSEG-QGZVFWFLSA-N 427.354 4.036 5 20 IIBD COc1cc(Cc2noc([C@@H](C)[C@@H]3OCCc4sccc43)n2)c([N+](=O)[O-])c(OC)c1 426606075 SXVBVTHEOYESPJ-WLRWDXFRSA-N 431.470 4.065 5 20 IIBD CC(C)N(Cc1ccc(-c2ccccc2F)s1)C(=O)NCCn1cc([N+](=O)[O-])cn1 426972936 QCBJGASWBIRUKK-UHFFFAOYSA-N 431.493 4.279 5 20 IIBD CC(=O)N(c1nc(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)cs1)c1cccc(C)c1C 428638388 GYLNTBLAHNGSBO-UHFFFAOYSA-N 438.465 4.309 5 20 IIBD COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] 429972973 UFGGQHMBGYKCRJ-INIZCTEOSA-N 449.301 4.187 5 20 IIBD C[C@H](C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1OCCc2sccc21 431025108 XNQOJDFPCRCUMO-APPDUMDISA-N 443.447 4.153 5 20 IIBD CCOc1cc(NC(=O)Nc2nn(C3CCCCC3)cc2C)c([N+](=O)[O-])cc1OCC 434231928 WEIXXTXKVQJCAU-UHFFFAOYSA-N 431.493 5.046 5 20 IIBD Cc1ccccc1NC(=O)CCN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 434543327 GGTVMALYZWKASD-UHFFFAOYSA-N 436.434 4.073 5 20 IIBD CCCCNS(=O)(=O)c1cccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1 435933007 DCDUCNZDORUBLZ-UHFFFAOYSA-N 449.532 4.012 5 20 IIBD CN(C)[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccsc1 436094128 RKEYXGSWJQERBS-IBGZPJMESA-N 427.476 4.054 5 20 IIBD Cc1ccc(S(=O)(=O)N[C@H](CCn2cc([N+](=O)[O-])c(C3CC3)n2)c2ccccc2)cc1 436205541 UENUVIXUFBXYLD-HXUWFJFHSA-N 440.525 4.087 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCO[C@@H](c2ccc(Br)cc2)C1 436320386 TUUKGAIRBFITHX-CQSZACIVSA-N 432.196 4.349 5 20 IIBD O=C(c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCCC2(CCCC2)C1 438558145 NXVRMMGZNQIYMT-UHFFFAOYSA-N 443.525 4.192 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](CC)[C@@H](c1ccc(C)cc1)n1cncn1 439924527 FIQFVIWJHNLMDN-WIYYLYMNSA-N 438.488 4.083 5 20 IIBD CC(C)CN(C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCc2cccnc21 441964081 UKHPYRBEFFPWNI-SFHVURJKSA-N 430.892 4.144 5 20 IIBD CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 442519549 YUNFXEHJCAHVIB-HNAYVOBHSA-N 447.438 4.211 5 20 IIBD CN(CC(=O)NCc1cccs1)C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] 442715684 PLEFCEAKTCIQKT-UHFFFAOYSA-N 441.534 4.196 5 20 IIBD CC(C)(C)NC(=O)N1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 442744213 LUJHWHOEHXAYSY-UHFFFAOYSA-N 442.541 4.012 5 20 IIBD O=C(NCCc1nc2ccccc2n1C(F)F)c1ccc2[nH]c3ccccc3c(=O)c2c1 444011296 ITUVSVIXLVOELB-UHFFFAOYSA-N 432.430 4.399 5 20 IIBD O=C(NC1CCC2(CCOCC2)CC1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444231278 DGCHTFWSXMUNPN-UHFFFAOYSA-N 426.463 4.429 5 20 IIBD CC(C)(CO)[C@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1ccccc1 444246892 FEZVMBIIHYYTQR-HXUWFJFHSA-N 432.495 4.353 5 20 IIBD Cc1cccc(C)c1NC(=O)Cc1noc(-c2cc(Br)cc([N+](=O)[O-])c2)n1 445321213 TVNVNQCWRPNXOU-UHFFFAOYSA-N 431.246 4.205 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(C3(c4ccc(OC)c(OC)c4)CCCC3)n2)c1 445576234 IOPNLOQJSNRCBU-UHFFFAOYSA-N 439.468 4.455 5 20 IIBD CC(C)c1nc2ccccc2n1Cc1noc(-c2ccn(-c3cccc([N+](=O)[O-])c3)n2)n1 445659869 IOAHTJUOCVKEHK-UHFFFAOYSA-N 429.440 4.352 5 20 IIBD CC1CCN(c2ccc(C(=O)N(CC(F)(F)F)[C@H]3CCCOC3)cc2[N+](=O)[O-])CC1 446205037 IOXREPGTUSFFLD-INIZCTEOSA-N 429.439 4.015 5 20 IIBD C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 460574053 MFICPISUBUCZHV-CYBMUJFWSA-N 436.281 4.015 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N(C)CC[C@@H]2CCCCN2C)cc1[N+](=O)[O-])c1ccccn1 461267167 YSOQABMZYXIXBP-MJGOQNOKSA-N 425.533 4.109 5 20 IIBD CCCc1noc2nc(-c3ccco3)cc(C(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)c12 461399169 JGAPNYGBIWRLOF-UHFFFAOYSA-N 448.435 4.378 5 20 IIBD COC(=O)[C@@H](C)NC(=O)c1ccc(N[C@@H](C)c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 462888478 ODQZZNIWVDOTBM-NWDGAFQWSA-N 439.390 4.078 5 20 IIBD O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 463535567 CPJZAVZACGQENL-UHFFFAOYSA-N 425.344 4.247 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1 463952300 RNZNDPZAKAJIQQ-UHFFFAOYSA-N 431.562 4.315 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 464052993 QQWUIRGVCSFMRZ-KRWDZBQOSA-N 441.875 4.044 5 20 IIBD COc1ccc(O[C@H](C)CNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 464158480 JRHNMRVPCRANDK-GFCCVEGCSA-N 444.431 4.298 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@H]1c1cc2c(cc1OCC)C[C@H](C)O2 466497837 VYXCPPDULPMLNJ-QANKJYHBSA-N 426.469 4.458 5 20 IIBD CN(CC(C)(C)O)C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 466596497 KZIJAJFCWDTUQF-UHFFFAOYSA-N 425.844 4.092 5 20 IIBD CN(Cc1cccc(Br)c1OC[C@H]1CCCO1)C(=O)c1cccc([N+](=O)[O-])c1 468098138 VMISVAHHAGBVMK-QGZVFWFLSA-N 449.301 4.187 5 20 IIBD C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c2cccc(Cl)c2O1 473432119 JGYTZGZBASWABU-VIFPVBQESA-N 436.795 4.243 5 20 IIBD COC(=O)COc1ccc(CNc2ncc(Cc3ccc(F)cc3F)s2)cc1[N+](=O)[O-] 473468399 DCHKHGGOYWVXFV-UHFFFAOYSA-N 449.435 4.084 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 477083525 CDSYPAVNABFJNP-ZDUSSCGKSA-N 425.411 4.375 5 20 IIBD C[C@@H](CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(F)(F)F 477888971 HFNACBLWTCADJM-VIFPVBQESA-N 433.433 4.061 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCCc2ccc(F)c(Br)c2)cc1SC 483415922 PNKUWZJWKGPULS-UHFFFAOYSA-N 443.294 4.199 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@@H]2CC[C@H](c3ccccc3)C[C@@H]2OC)c(C)c([N+](=O)[O-])c1 483534948 UJVULQIYCZBTBH-CDXJDZJCSA-N 441.484 4.163 5 20 IIBD Cc1ccc(-c2cccnc2)cc1NC(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 483900359 VVGOJYCDFAMOOJ-UHFFFAOYSA-N 432.480 4.043 5 20 IIBD O=[N+]([O-])c1c(N2CCCN(Cc3cn4cc(Cl)ccc4n3)CC2)ccc2ncccc12 487084706 FXABRBZHAFKBRN-UHFFFAOYSA-N 436.903 4.156 5 20 IIBD Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)cc2)n1 487840872 LHDUWLIBRBKIPF-KRWDZBQOSA-N 430.468 4.074 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 487887396 OHRKWFNJHGJTDA-QHCPKHFHSA-N 447.878 4.469 5 20 IIBD Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 489318236 VMCGVAFQIRCYMT-UHFFFAOYSA-N 428.861 4.148 5 20 IIBD CCn1c(SCC(=O)Nc2ccc(F)cc2Cl)nnc1-c1ccc([N+](=O)[O-])cc1 489449930 VJGLZKSAPJQYHX-UHFFFAOYSA-N 435.868 4.397 5 20 IIBD C[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCN(Cc2ccccc2)C1 490342024 SDKSSDWHNLVKDP-HOCLYGCPSA-N 434.443 4.228 5 20 IIBD COc1ccc(C[C@@H](C)CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1OC 490963153 GPFJIFWWSKTOMK-MRXNPFEDSA-N 427.501 4.165 5 20 IIBD Cc1ccc(S(=O)(=O)N[C@H](CSc2ccc([N+](=O)[O-])cn2)c2ccccc2)cc1 499322120 DIINGBWGEVSBFI-LJQANCHMSA-N 429.523 4.110 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CSc1nnc([C@@H](C)N(C)C)n1-c1ccc(F)cc1 501660130 FGGCVWMRAXHZQZ-CYBMUJFWSA-N 431.493 4.238 5 20 IIBD COc1ccc(CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC2CC2)c(OC)c1 503253192 AYFUPDWMYVHVQW-UHFFFAOYSA-N 433.892 4.116 5 20 IIBD CC[C@H](CSc1ccc(C)c(C)c1)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 504656334 XODISBKEGLRONL-SJLPKXTDSA-N 445.541 4.096 5 20 IIBD COc1ccc(Cc2noc(-c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)n2)cc1OC 504815924 ADIOOGYJXKBFSU-UHFFFAOYSA-N 438.484 4.489 5 20 IIBD CCN(CC)S(=O)(=O)c1cc(NCc2c(F)cc([N+](=O)[O-])cc2F)ccc1Cl 506280959 LWVUPLJBNIFZJC-UHFFFAOYSA-N 433.864 4.169 5 20 IIBD COc1cc(CN2CCO[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F 507351484 DIEHKNQKSBSVSS-LJQANCHMSA-N 444.381 4.257 5 20 IIBD Cn1cc(C(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 508877594 YQOMINHZPYZBIK-UHFFFAOYSA-N 442.479 4.447 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(c2cnc3cc(F)c(F)cc3n2)CC1 510658829 OKKOAPCFPLNDQY-UHFFFAOYSA-N 439.344 4.162 5 20 IIBD Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 513493710 CFOZHXQNJGHHAW-KRWDZBQOSA-N 444.534 4.082 5 20 IIBD Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1S(=O)(=O)Nc1ccccc1F 515592124 FXAVFAXIVPDNFI-UHFFFAOYSA-N 447.419 4.235 5 20 IIBD COc1cc(C)c([C@H](C)NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1OC 517635884 HNURYIQHIXFRTM-LBPRGKRZSA-N 442.390 4.353 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 517706787 HDFGIDJXHZCJTM-UHFFFAOYSA-N 437.880 4.437 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N[C@@H](C(=O)O)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 520325185 YZGYAUGVYJKFOZ-MGPLVRAMSA-N 426.256 4.396 5 20 IIBD COc1cc(C(=O)Nc2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)c([N+](=O)[O-])cc1OC 520592506 VIFFKSHDAVFOBO-AWEZNQCLSA-N 441.484 4.045 5 20 IIBD COc1ccc(C(=O)NCCCCN2CCC(Cc3ccccc3)CC2)cc1[N+](=O)[O-] 521888523 WXHJHGZMJMRYLN-UHFFFAOYSA-N 425.529 4.068 5 20 IIBD CCOC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)c3cccnc23)cc([N+](=O)[O-])c1C 522532684 UXKBZXYRMGMOOO-UHFFFAOYSA-N 449.872 4.082 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(OC(C)C)cc2F)ccc1[N+](=O)[O-] 522589831 PRFCOMQPVXOIGB-FQEVSTJZSA-N 429.448 4.073 5 20 IIBD COc1ccc(C[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])c2ccccc2)cc1OC 524170183 XEYZPEWMIVOKJO-HXUWFJFHSA-N 435.480 4.395 5 20 IIBD Cc1nn(C)c(N2CCN([C@@H](c3ccccc3)c3ccccc3Cl)CC2)c1[N+](=O)[O-] 524265377 GIFPJJLOLPSSJN-NRFANRHFSA-N 425.920 4.202 5 20 IIBD Cc1ccc(NCCCNC(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)c([N+](=O)[O-])c1 524801295 CQYFAUXMWMVAHZ-IBGZPJMESA-N 439.560 4.230 5 20 IIBD CCCN(CC(=O)Nc1ccccc1C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br 531025516 ONHDWWWPVCIZOH-UHFFFAOYSA-N 448.317 4.086 5 20 IIBD Cc1ccc(NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1C(N)=O 532887425 ULLFPGIQDMBIJA-UHFFFAOYSA-N 427.464 4.467 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)c1cncc(N2CCOCC2)c1 534588470 GIRIERGYKHTPBI-UHFFFAOYSA-N 442.522 4.291 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]1Cn1cnc2ccccc21 535195628 JGSRWUXXTHCBFX-AWEZNQCLSA-N 429.274 4.012 5 20 IIBD COc1ccc(Cl)cc1-c1cc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n[nH]1 535474212 FHVDPVRICPUERI-UHFFFAOYSA-N 425.832 4.309 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(OC(F)(F)F)c1 536467652 OBWNWJOSGYLVTJ-UHFFFAOYSA-N 444.387 4.401 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C3)cs1 537932988 GSZFEWMTKINHCY-UHFFFAOYSA-N 429.523 4.442 5 20 IIBD Cc1cc(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)nn1-c1ccc(F)cc1 538536926 FUVAXJMSASERJF-UHFFFAOYSA-N 436.365 4.433 5 20 IIBD CCCN1C(=O)CCc2cc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Br)ccc21 539151492 CTQVXKLZPRFOHA-UHFFFAOYSA-N 446.301 4.228 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 539794182 KPRCYAIWAMNJST-ZDUSSCGKSA-N 433.295 4.321 5 20 IIBD O=C(CCCNC(=O)[C@@H]1CC=CCC1)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 540609080 WWSOLXIVWCFJGF-GOSISDBHSA-N 435.480 4.017 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](C)[C@H](OC2CCOCC2)c2ccccc2)c1 540620364 QCOMXEHBZJEENI-KOSHJBKYSA-N 442.512 4.114 5 20 IIBD O=C1CCC[C@H]1[C@@H]1COCCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 541548353 IQBSHYNIGFCBKN-HKUYNNGSSA-N 444.871 4.251 5 20 IIBD CCCOc1cc(NC(=O)c2ccncc2N2CCCC2)c([N+](=O)[O-])cc1OCCC 542476608 QFHIDNWWYZCPQJ-UHFFFAOYSA-N 428.489 4.420 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NCCC[C@@H]1CCCCO1 545509212 PIUWDJJMISUJEN-QHCPKHFHSA-N 448.523 4.456 5 20 IIBD COCC[C@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 551576607 VDNZUXGFWSZYQW-INIZCTEOSA-N 433.313 4.099 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)c1 552106895 UOZFFCVKHQSHEU-UHFFFAOYSA-N 433.464 4.241 5 20 IIBD Cc1ccc(CNC(=O)C2CCN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)CC2)cc1 555378310 LGOSBTUYMQYCJY-UHFFFAOYSA-N 435.446 4.450 5 20 IIBD COCCN1[C@H]2CC[C@H]1CC(N(C)C(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1)C2 561608274 SECKFQZTWUDVPA-OALUTQOASA-N 449.617 4.447 5 20 IIBD Cc1cc(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)ccc1OCC(F)(F)F 573790201 HYLYETKGVRCMEH-UHFFFAOYSA-N 425.363 4.271 5 20 IIBD COc1ncccc1CCN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 574246706 OIUGGDZEILDKTQ-FQEVSTJZSA-N 440.887 4.164 5 20 IIBD O=C1CCC(=O)N1c1ccc(-c2nc(-c3cccc(-c4cscn4)c3)no2)cc1[N+](=O)[O-] 577246645 QNZBMVPAQMFOQZ-UHFFFAOYSA-N 447.432 4.089 5 20 IIBD CCOc1cc(C(=O)N[C@@H](C)c2ccc(Br)cc2F)c([N+](=O)[O-])cc1OC 582695930 NSJSTZAHPBFQIN-JTQLQIEISA-N 441.253 4.395 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] 603569058 RIOJCOUOEBJCTB-NSHDSACASA-N 427.682 4.437 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(OC(F)F)cc1 603646926 UODCDMNRLOYUKX-UHFFFAOYSA-N 434.321 4.449 5 20 IIBD O=C(Cn1cc(Br)c([N+](=O)[O-])n1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 603947525 PSSHWLVZIYHGJB-ZDUSSCGKSA-N 448.104 4.224 5 20 IIBD COc1cc([C@@H](C)NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OC1CCCC1 604036141 IULSYMKIUZTOPL-OAHLLOKOSA-N 434.514 4.105 5 20 IIBD C[C@H](Cn1cccn1)NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 604103452 QLYNRTULXGFKHQ-CYBMUJFWSA-N 439.522 4.371 5 20 IIBD CC(=O)N1CCCCC[C@H]1C1CCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 609511909 WEAOUJFYNVYNBY-QFIPXVFZSA-N 437.544 4.368 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N[C@H](CCN(C)C)C(C)(C)C)cc1[N+](=O)[O-])c1ccccn1 609698612 GQHCIIVSILQQGU-IIBYNOLFSA-N 427.549 4.259 5 20 IIBD COCCOc1ccc(S(=O)(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 609761617 VTBGCFGDWZVHRB-UHFFFAOYSA-N 444.465 4.213 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)ccc1[N+](=O)[O-] 609909313 CBEHKMNRKSHEAQ-XWFZLUIHSA-N 439.487 4.052 5 20 IIBD O=C(Nc1ccc2oc3ccccc3c2c1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 610140898 WKAIIUYDEZPFBR-UHFFFAOYSA-N 444.447 4.484 5 20 IIBD O=C(c1ccc(OC2CCOCC2)cc1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 610223885 OQIDXWQPQMISIM-UHFFFAOYSA-N 438.402 4.357 5 20 IIBD Cc1ccc(-c2nc(C)c([C@@H](C)N(C)S(=O)(=O)c3cccnc3[N+](=O)[O-])s2)cc1 610264779 YKXNONCABPGLGP-CQSZACIVSA-N 432.527 4.112 5 20 IIBD O=C1c2cc(Cl)ccc2N[C@H](c2cc3c(cc2[N+](=O)[O-])OCCO3)N1c1ccncc1 610285255 GRPIHOLARVJJJO-FQEVSTJZSA-N 438.827 4.186 5 20 IIBD O=C(Nc1cc(Br)c(F)cc1Cl)c1cc2c(cc1[N+](=O)[O-])OCCO2 610578579 DERLVOZJWDQXRR-UHFFFAOYSA-N 431.601 4.173 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CCC(N2CCCCC2=O)CC1 611207052 ZLKGWBXMYWZQHV-UHFFFAOYSA-N 431.558 4.247 5 20 IIBD CCc1cccc[n+]1/C(C(=S)Nc1ccc(OC)nc1)=C(/O)c1ccc([N+](=O)[O-])cc1 726962239 JRUFZICOCUYXDS-UHFFFAOYSA-O 437.501 4.172 5 20 IIBD O=C(c1cc(-c2ccccc2)no1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727329546 WMTQHQTWZLPKKL-UHFFFAOYSA-N 446.385 4.231 5 20 IIBD CC(C)C(=O)Nc1nc(CC(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)cs1 728164947 DKZPNFWEIHBLFO-UHFFFAOYSA-N 436.921 4.285 5 20 IIBD CC(C)(C)OC(=O)NCc1cccc(OC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1 730200463 OHTUBSCJZIFCFZ-UHFFFAOYSA-N 438.440 4.024 5 20 IIBD O=C(COC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ccc(N2CCCCCC2)cc1 730644791 HCIPEUFQIDJHKZ-UHFFFAOYSA-N 431.876 4.424 5 20 IIBD COc1cc(OC)cc([C@@H](O)CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)c1 735676616 VXFIVWDAFQIGBB-QFIPXVFZSA-N 442.443 4.367 5 20 IIBD CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1Br 736484693 LKLBUZUZSCLWOS-GOSISDBHSA-N 444.326 4.027 5 20 IIBD COc1ccc(-c2ccc(CNC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2)cc1 742000731 OKVBVZIFQYQPCG-UHFFFAOYSA-N 447.491 4.037 5 20 IIBD O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NC1CCN(c2nc3ccccc3s2)CC1 744180632 VZQZIIFFDOKZBH-UHFFFAOYSA-N 437.525 4.178 5 20 IIBD COc1cc(Cl)c(C(=O)COC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1OC 747125750 PTIDPHDGGBOQSB-UHFFFAOYSA-N 447.749 4.324 5 20 IIBD COc1cc(Br)cc(C)c1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 748622432 FYTUWFRQRGZLTI-UHFFFAOYSA-N 438.234 4.452 5 20 IIBD CC(C)(C)c1cc[n+](/C(C(=S)NC[C@H]2CCOC2)=C(/O)c2ccc([N+](=O)[O-])cc2)cc1 749592749 ZGPPZWKBAIEPIQ-MRXNPFEDSA-O 442.561 4.017 5 20 IIBD COc1ccc(O[C@@H](C)CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cc1 750891178 UNYIBLRJIONVNL-JTQLQIEISA-N 443.681 4.217 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Oc2ccc(OCc3ccncc3)cc2)cc1[N+](=O)[O-] 752235225 IZDSQPYEQWBSEE-UHFFFAOYSA-N 434.857 4.298 5 20 IIBD CCc1ccc(S(C)(=O)=O)cc1C(=O)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 759869773 CVTAQTVZCHDQGF-UHFFFAOYSA-N 436.917 4.271 5 20 IIBD Cc1ccc(C(=O)O[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1NC(=O)NC(C)(C)C 759928107 GPONIQDDBBTDBR-QZTJIDSGSA-N 443.504 4.360 5 20 IIBD C[C@H](NC(=O)COC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1cccc2ccccc12 766219004 DSQUHOOCTFXIQB-HNNXBMFYSA-N 429.432 4.330 5 20 IIBD CC[C@@H]1CCCC[C@@H]1OCC(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 766809950 KJLUGXBZRKGLAY-AHIWAGSCSA-N 446.422 4.469 5 20 IIBD C[C@H](Sc1nnc(COc2ccccc2)n1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 768413653 IUCXAXZZMXEMHH-LBPRGKRZSA-N 447.904 4.075 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)C(C)(C)c2cccnc2)c2ccccc2)c([N+](=O)[O-])c1 769079625 ATZUDMSBMLGGLB-OAQYLSRUSA-N 433.464 4.499 5 20 IIBD COc1cccc([C@@H](O)CN(Cc2ccccc2)c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)c1 772896629 BFDYZIVMACEDEM-DEOSSOPVSA-N 447.491 4.228 5 20 IIBD CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 774823741 UPWDFAMUPRHWDB-UHFFFAOYSA-N 446.769 4.246 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1ccc2c(c1)CCC(=O)N2 775092580 ZZGPCSMZEDLRTJ-UHFFFAOYSA-N 428.466 4.020 5 20 IIBD Cc1cc(F)cc(C(=O)N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)c1[N+](=O)[O-] 775170656 CUDBFHBWFZNWQE-MRXNPFEDSA-N 441.228 4.158 5 20 IIBD C[C@@H](CC(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc(Cl)cc1 777217150 WSIFERZFCZTRLG-NSHDSACASA-N 439.251 4.292 5 20 IIBD O=C(c1cc([N+](=O)[O-])c2nsnc2c1)N(Cc1ccccc1)C[C@H](O)c1ccsc1 777811872 ZHDXUKWBISFHPH-SFHVURJKSA-N 440.506 4.037 5 20 IIBD O=C(O[C@@H](C(=O)N1CCCCC1)c1ccccc1)c1cc([N+](=O)[O-])ccc1OC(F)F 778891040 OGGRUDBESWEPFL-GOSISDBHSA-N 434.395 4.107 5 20 IIBD O=C(COC(=O)c1cccc(Br)c1Cl)Nc1ccc([N+](=O)[O-])cc1Cl 780128948 LBZIKNXHPKOYKG-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD COc1ccc(OCCOC(=O)c2csc(-c3ccc(F)c(F)c3)n2)c([N+](=O)[O-])c1 780136633 GMBYBIDSNNBODQ-UHFFFAOYSA-N 436.392 4.241 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 780542545 ZWZAQBHNZYGFFY-WMLDXEAASA-N 437.562 4.472 5 20 IIBD O=C(OCc1noc(-c2ccc(F)cc2F)n1)c1cc(Br)cc([N+](=O)[O-])c1 781193768 QVLMCTLXISHSCK-UHFFFAOYSA-N 440.156 4.043 5 20 IIBD CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781623425 RDHVUOXXRQWKPU-GCJKJVERSA-N 427.457 4.062 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(=O)n(Cc2ccccc2)c1 785932264 QYNMNAHFJOTRCH-UHFFFAOYSA-N 442.269 4.128 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cc(Br)c(F)cc1F 786261460 SWNQDXVBYLWVKO-UHFFFAOYSA-N 430.161 4.115 5 20 IIBD CC[C@@H](Oc1ccccc1Cl)C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 786585347 JJGZDKZGNMXCDP-OAHLLOKOSA-N 427.240 4.241 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)OCc1ccc(OCc2ccncc2)cc1 786784731 JQLBWHJSNUOXQB-UHFFFAOYSA-N 445.431 4.239 5 20 IIBD C[C@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1nnnn1C1CCCCC1 787677301 HGVSHNJIWXMEDA-LBPRGKRZSA-N 428.474 4.128 5 20 IIBD O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc(CC(F)(F)F)cc2)ccc1Br 790399411 OJGYNQDEYMZPDB-UHFFFAOYSA-N 439.209 4.263 5 20 IIBD C[C@@H]1C(=O)CC[C@@H]1CC(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 792871816 HMNKRUHEWDYDGV-QWHCGFSZSA-N 430.844 4.411 5 20 IIBD CCOC(=O)/C(=C\c1ncc(-c2ccc(Br)cc2)[nH]1)c1ccc([N+](=O)[O-])cn1 794951453 YKEFITFCNFQGIM-DHDCSXOGSA-N 443.257 4.246 5 20 IIBD CC[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)c(S(=O)(=O)NC)c1 795799970 BBMZKDLMHILDQZ-INIZCTEOSA-N 432.329 4.051 5 20 IIBD C[C@H](OC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 796440247 VXAHFLWGCOKWBW-NSHDSACASA-N 435.820 4.004 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)O[C@H]2CC(C)(C)Oc3ccccc32)cc1[N+](=O)[O-] 799435519 MCDOMZRJOLOZTF-KRWDZBQOSA-N 440.481 4.334 5 20 IIBD CC(=O)NCCN(Cc1ccc(Br)s1)Cc1cc(Cl)ccc1[N+](=O)[O-] 800499348 HTHIVKPRAJYMRK-UHFFFAOYSA-N 446.754 4.211 5 20 IIBD CC(=O)c1ccc(N(CCn2ccnc2)Cc2ccc(Br)o2)c([N+](=O)[O-])c1 804779523 FFZAIRTVOUTUQB-UHFFFAOYSA-N 433.262 4.056 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 807687950 DYXKTAFRQOSDCA-BRWVUGGUSA-N 431.286 4.002 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 810317914 JMRHACCDIYHQME-RYQLBKOJSA-N 432.521 4.314 5 20 IIBD Cc1nccn1C[C@@H](C)OC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 810622845 QFPIGUMXJHSTRS-QGZVFWFLSA-N 445.479 4.127 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](C2CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)CC2)C1 811944088 RPOLRNUSTJAUKQ-KRWDZBQOSA-N 442.516 4.185 5 20 IIBD O=C(N[C@H]1c2ccccc2CC12CCOCC2)c1cc([N+](=O)[O-])ccc1Br 813284985 JVJFMRRIRXJPID-SFHVURJKSA-N 431.286 4.181 5 20 IIBD CN1CCC(N(C)c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)cc2)CC1 815070670 XUXXQSYYODXQDG-UHFFFAOYSA-N 436.434 4.396 5 20 IIBD C[C@@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1ccc(N2CCCOC2=O)cc1 817302315 YWFVYRKBHBQFNO-MRXNPFEDSA-N 446.463 4.495 5 20 IIBD COc1ccc(-c2nnc(S/C=C/c3ccc([N+](=O)[O-])o3)n2C[C@@H]2CCCO2)cc1 825212823 SIEWHXMUDIYFNE-JICACKBISA-N 428.470 4.397 5 20 IIBD CC1CCN(c2nnc(SCc3cc(F)ccc3[N+](=O)[O-])n2C[C@@H]2CCCO2)CC1 915794294 XJYDATFUYAWHDO-KRWDZBQOSA-N 435.525 4.033 5 20 IIBD CC(C)[C@@H](OC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(N)=O 916607403 MPPGOSKTEYQOOB-MRXNPFEDSA-N 442.415 4.432 5 20 IIBD Cc1nccn1-c1ccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cn1 917187670 LHFNDAFMDQYKAX-HOTGVXAUSA-N 434.500 4.219 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)c1cc(-c2ccccc2)no1)c1cccc([N+](=O)[O-])c1 918632860 LLCKXHMTOATPNZ-IBGZPJMESA-N 449.463 4.492 5 20 IIBD CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 1116336887 WRZNGNVZNPYWCH-HXUWFJFHSA-N 425.485 4.136 5 20 IIBD O=C(NCc1cc(OCC(F)F)ccn1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 1320939659 ZUVDEPFUBPNBLP-UHFFFAOYSA-N 443.406 4.143 5 20 IIBD CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc(C)c([N+](=O)[O-])c1)C2)c1ccccc1 1795457584 IYCYJOUKBMGNHH-KAOXLYBCSA-N 449.551 4.278 5 20 IIBD C[C@@H]1CCC[C@H]1C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)n[nH]1 1814968166 QVDXAEFSUZLILL-NFZMGSSQSA-N 441.488 4.053 5 20 IIBD C[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1)c1ccccc1 1823488673 ZVDZVBAUXDCFQT-RHSMWYFYSA-N 437.456 4.021 5 20 IIBD O=C(c1ccsc1)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1824275181 UWHACSAOTFTZLM-OQBYNLHGSA-N 443.525 4.196 5 20 IIBD O=C(C1CCCC1)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 1831290738 GINGIHALKXZFLN-JOCHJYFZSA-N 445.535 4.086 5 20 IIBD O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(Br)c([N+](=O)[O-])c1 16014344 YHRCHFRPABECGF-UHFFFAOYSA-N 432.274 4.236 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2ncc(Cl)cc2Cl)c1 16196504 SJVXLFXZPIJNTG-MRVPVSSYSA-N 430.269 4.203 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])c1 18026219 RDHDSAKAKSIOML-UHFFFAOYSA-N 449.847 4.391 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1sc(C)nc1-c1ccccc1 18765000 BIKYRSUHAVWMSM-GFCCVEGCSA-N 441.465 4.219 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1C 18901143 KXBCEWJZORWNGK-UHFFFAOYSA-N 427.482 4.325 5 20 IIBD COC(=O)c1ccc(C)c(NC(=O)[C@H](C)OC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 25375225 JMJPETHSIXHUMN-LBPRGKRZSA-N 442.449 4.089 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(Cl)c(C(N)=O)c3)cc2[N+](=O)[O-])C1 29017772 PEQGCDSBVUMSPI-BETUJISGSA-N 430.892 4.082 5 20 IIBD Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc([N+](=O)[O-])cc3F)c2)cc1 63446953 LNWLCPGKQXZTGX-UHFFFAOYSA-N 443.456 4.120 5 20 IIBD Cc1ccc(C)c(OC2CCN(c3ccc(C(=O)c4nccn4C)cc3[N+](=O)[O-])CC2)c1 64113566 BGTDIWSZNVVGRY-UHFFFAOYSA-N 434.496 4.224 5 20 IIBD CC(C)(CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(Cl)c(Cl)c1 65063686 OQIZHNAENHXWCA-UHFFFAOYSA-N 425.268 4.380 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CSc1nc2ccccc2c(=O)n1-c1cc(C)ccn1 68871676 GQRBFUZOYLITOA-UHFFFAOYSA-N 434.477 4.298 5 20 IIBD Cc1cc(C(=O)NCc2cccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)ccc1[N+](=O)[O-] 72066851 YGBQBSBFBRQJJU-UHFFFAOYSA-N 448.435 4.302 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC=C(c2c[nH]c3ncccc23)CC1 105621306 FRNAWAJCWFBIHF-UHFFFAOYSA-N 434.499 4.347 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc1OC 105731046 DPSIIIMQIGVDCN-AWEZNQCLSA-N 428.441 4.208 5 20 IIBD CCN(CCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccccc1C 107715365 PWBITFYOUHGPHJ-UHFFFAOYSA-N 425.407 4.101 5 20 IIBD C[C@H](NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccc2c(c1)CC(=O)N2 115717515 WHYSQZRYHBWXPR-LSDHHAIUSA-N 445.479 4.149 5 20 IIBD Cc1ccnc(Sc2nnc(CSc3nc4ccccc4s3)n2C)c1[N+](=O)[O-] 301302588 SARJJRFTHQCAFA-UHFFFAOYSA-N 430.540 4.480 5 20 IIBD COc1cccc(CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1OC1CCCC1 303549756 JBFRBNDCHZKYBO-UHFFFAOYSA-N 436.468 4.041 5 20 IIBD CN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 427451538 FEQBZTUIEYTLNW-NRFANRHFSA-N 448.870 4.086 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 427486417 HLKJBXSACNHHSP-ZDUSSCGKSA-N 438.509 4.204 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H]3CSCCN3Cc3ccccc3)cs2)c1 428541064 OTWWZENHQHQONP-OAQYLSRUSA-N 440.594 4.426 5 20 IIBD CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 428707041 GPVOTHAWEJIVNF-GHTZIAJQSA-N 442.947 4.417 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CN(CC(=O)Nc1ccc(Cl)cc1)Cc1cccnc1 430195069 MSOIGYXKLZGNSJ-UHFFFAOYSA-N 440.887 4.293 5 20 IIBD O=C(Cc1cccs1)Nc1ccccc1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 433694489 NULLIGZQKBWJPG-FQEVSTJZSA-N 436.493 4.055 5 20 IIBD CC(C)c1[nH]nc(C(=O)N[C@H]2c3cc(Br)ccc3SC[C@@H]2C)c1[N+](=O)[O-] 433772421 CRYOIRAXSCBOPE-LKFCYVNXSA-N 439.335 4.417 5 20 IIBD CN(C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ncccc1F 434320948 IHNKVQDTWSRBOT-UHFFFAOYSA-N 426.370 4.027 5 20 IIBD O=c1oc2cc([N+](=O)[O-])ccc2n1CCCc1nc(-c2ccc(O)c3ccccc23)no1 436613590 RERURLQCXOHWEA-UHFFFAOYSA-N 432.392 4.044 5 20 IIBD Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])c1 439249942 USEYKRXWKGKFQB-LJQANCHMSA-N 448.504 4.119 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CCc1ccccc1)Cc1ccccc1 439767629 LCSDDJBTUCJZEX-UHFFFAOYSA-N 447.491 4.204 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H](c1ccncc1)c1ccc(Cl)cc1 441857371 LMIMECIDMRYEMV-HXUWFJFHSA-N 438.871 4.138 5 20 IIBD CCc1n[nH]c(C(=O)Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)c1[N+](=O)[O-] 444003826 KDYCZPKTRBZDIJ-UHFFFAOYSA-N 428.836 4.430 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(Cc3ccc(OCC(F)(F)F)nc3)no2)ccc1NC1CC1 446022001 XUIARWQLNLDEBY-UHFFFAOYSA-N 435.362 4.146 5 20 IIBD Cc1ccc(-n2ncc(NC(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)c2C(C)C)cc1 446245483 BXCMRIOCBFHUQP-UHFFFAOYSA-N 433.472 4.410 5 20 IIBD CC(=O)N(c1ccc(F)cc1)c1nc(CNCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cs1 446838506 JHFKWEXKRBEWJX-UHFFFAOYSA-N 440.460 4.041 5 20 IIBD Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)sc1Cc1c(F)cccc1F 446947826 IRSYPKXTNGTQLR-UHFFFAOYSA-N 425.438 4.030 5 20 IIBD CCN([C@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 447032474 YHJMBWDSMPUPGU-LLVKDONJSA-N 431.283 4.268 5 20 IIBD C[C@@H](c1ccco1)N(C)C(=O)c1cc(C(=O)N(C)[C@@H](C)c2ccco2)cc([N+](=O)[O-])c1 460769503 JPXCQBDVBPARMJ-GJZGRUSLSA-N 425.441 4.447 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 462932630 TZUBRIFTOJWOGI-QGZVFWFLSA-N 442.491 4.115 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H]1CCOc2c(-c3ccccc3)cccc21 464050860 MBOXKIUTDJQWEQ-HXUWFJFHSA-N 445.475 4.457 5 20 IIBD O=C(CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Nc1nc(-c2cccs2)cs1 464779665 VKBULVDASWGBMP-UHFFFAOYSA-N 444.538 4.262 5 20 IIBD COc1ccc(CSCC(=O)NCc2cc(Cl)ccc2OC(F)F)cc1[N+](=O)[O-] 465297451 WEGKJHRRMURTPW-UHFFFAOYSA-N 446.859 4.408 5 20 IIBD O=C(NCc1nnc(C2CC2)n1C1CC1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 468306600 GFODPTCWCPTLJQ-UHFFFAOYSA-N 435.509 4.480 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N(Cc1ccccc1)c1cccc(C)c1 469137408 IDNNRHQERGPLRR-UHFFFAOYSA-N 440.477 4.085 5 20 IIBD CCCOc1ccccc1[C@@H](CC(C)C)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 470243978 SHYPGYOYGAQDOW-HXUWFJFHSA-N 448.541 4.304 5 20 IIBD Cc1sc2ncnc(N3CCC(C(=O)Nc4cc(F)cc([N+](=O)[O-])c4)CC3)c2c1C 470704553 RZNIRRVFLBPDAJ-UHFFFAOYSA-N 429.477 4.211 5 20 IIBD C[C@@H](NC(=O)c1cc(I)ccc1Cl)c1cccc([N+](=O)[O-])c1 471327478 BEKVFMXCKYYHDX-SECBINFHSA-N 430.629 4.344 5 20 IIBD Cc1cc(-c2noc([C@@H](C)NC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])n2)ccc1F 472370869 XLOKHSCVYKLJLZ-GFCCVEGCSA-N 448.838 4.392 5 20 IIBD C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C[C@@H](C2CC2)O1 473318875 KQCXRIBXKIPGRK-SZNDQCEHSA-N 429.904 4.500 5 20 IIBD COc1c(F)cc(F)cc1NC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 473843728 QBUCKWBUDIQQKU-OAHLLOKOSA-N 437.399 4.086 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCSC2(CCOCC2)C1 474674535 UYMIFMNBSNTQHJ-UHFFFAOYSA-N 430.551 4.484 5 20 IIBD Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 475212531 VIXJWRXRVTXNMH-UHFFFAOYSA-N 437.422 4.318 5 20 IIBD Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O 475771810 JLGIOOAULUXWOO-ZDUSSCGKSA-N 442.686 4.399 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@H]1CCCC[C@H]1Cc1ccccc1 476378984 IZXVZQLHXPDDEP-ICSRJNTNSA-N 437.496 4.201 5 20 IIBD O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 477812231 BQRRFALOTXNASS-LJQANCHMSA-N 428.395 4.189 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 478187756 WQPHHUBJZYWKQG-GOEBONIOSA-N 441.228 4.174 5 20 IIBD C[C@H](C(=O)N(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O)c1ccc([N+](=O)[O-])cc1F 480424624 GCAXWQZPUBPOQF-LCDDXDPXSA-N 427.259 4.261 5 20 IIBD Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCc3cccc([N+](=O)[O-])c3C)cc2)cc1 481491652 MDEREWCYJJTEOS-UHFFFAOYSA-N 438.505 4.116 5 20 IIBD Cc1ccc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1Cl 482160983 BOOBTEOKEPGHIL-UHFFFAOYSA-N 437.886 4.098 5 20 IIBD CN(c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)C1CCN(CCc2ccccn2)CC1 485403133 JHUPEQDNIRRASP-UHFFFAOYSA-N 435.503 4.334 5 20 IIBD C[C@@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1ccc(OCc2ccc(F)cc2)cc1 485599014 IICUUFBRENZWOB-OAHLLOKOSA-N 426.448 4.122 5 20 IIBD COCc1c(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)sc2cccc(F)c12 485951737 CSNQLVQWZXFLOI-UHFFFAOYSA-N 432.429 4.442 5 20 IIBD Cc1cc(C)n(-c2ccccc2CNC(=O)c2sc(Br)cc2[N+](=O)[O-])n1 486302175 BTUJLKRLJPZOCA-UHFFFAOYSA-N 435.303 4.151 5 20 IIBD O=C(c1cccc(-n2nccc2-c2ccccc2)c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 487045476 NGOCYTFZMKEBFP-UHFFFAOYSA-N 442.479 4.121 5 20 IIBD O=C(N[C@H]1CSc2ccc(Br)cc21)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 487690779 NDRVHNYCMNJIPV-INIZCTEOSA-N 445.298 4.120 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(Oc2cccnn2)c1 487738003 HXOQQRIDJWKEBN-UHFFFAOYSA-N 426.454 4.168 5 20 IIBD COc1c(F)cc(S(=O)(=O)Nc2ccccc2COCc2ccccc2)cc1[N+](=O)[O-] 488246861 IYBVNYMEOFJXCF-UHFFFAOYSA-N 446.456 4.260 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C 488464658 KGSSCTPETKKDOC-BXWFABGCSA-N 431.920 4.042 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N[C@@H]1CCSc2c(F)cccc21 488918398 VDKZKZMVDZZPKF-GFCCVEGCSA-N 447.307 4.012 5 20 IIBD CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 489149493 SVXMCJKTLPKZQS-QGZVFWFLSA-N 449.511 4.277 5 20 IIBD Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 489284997 CTJQXWLEAIXAOL-UHFFFAOYSA-N 428.861 4.148 5 20 IIBD C[C@H](Sc1nnc(-c2ccco2)n1Cc1ccco1)C(=O)Nc1ccc([N+](=O)[O-])cc1 489408507 SBDYAYFWHMTGEA-ZDUSSCGKSA-N 439.453 4.207 5 20 IIBD COc1cc(CNCc2c(C)nn(-c3ccccc3)c2C)c([N+](=O)[O-])cc1OCC(F)F 491034583 HWVBFNPQCDABON-UHFFFAOYSA-N 446.454 4.340 5 20 IIBD C[C@@H](Nc1cccc(NC(=O)C2CC2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 493573068 NLSGRFHYOQEBDX-LLVKDONJSA-N 436.390 4.401 5 20 IIBD CCOc1cccc2cc([C@H](C)NC(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)oc12 494194229 GFABDMZPLRZCHN-AWEZNQCLSA-N 427.461 4.044 5 20 IIBD O=C(CN[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)Nc1ccc(Cl)cc1[N+](=O)[O-] 494497590 XHNHHUHNTJEYGS-YJBOKZPZSA-N 428.247 4.099 5 20 IIBD COc1cc(C(=O)Nc2ccnc(OCc3ccccc3)c2)c([N+](=O)[O-])cc1OC(F)F 501772230 BLKTUQYQNQDVAE-UHFFFAOYSA-N 445.378 4.431 5 20 IIBD CC[C@H](C)n1c(SCC(=O)NCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1 504045046 QKTZHWUIELYDAN-HNNXBMFYSA-N 425.514 4.233 5 20 IIBD CCOc1ccc([C@H](C)NC[C@@H](O)COc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] 504925287 AOKQGPZMGAYPLR-GXTWGEPZSA-N 429.300 4.391 5 20 IIBD O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)C1CCN(c2ccccc2[N+](=O)[O-])CC1 505979887 WRDFFYVUTKGOSE-UHFFFAOYSA-N 448.445 4.328 5 20 IIBD O=C(CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)Nc1cccc2ccccc12 506653962 SVQNPDDLPJVWCV-UHFFFAOYSA-N 432.461 4.240 5 20 IIBD COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C 508042132 GFUNMTZGUXRQKE-GOSISDBHSA-N 447.919 4.085 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 514641202 LOOWIAPQNMYXLG-GJZGRUSLSA-N 445.541 4.131 5 20 IIBD CC[C@@H]1CO[C@H](C)CN1C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 517303455 QDHXDFUBFWCDBM-YLJYHZDGSA-N 434.496 4.016 5 20 IIBD CNc1ccc(C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1[N+](=O)[O-] 517513926 ZYFNWBJQFSOPSJ-UHFFFAOYSA-N 437.327 4.338 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1C(F)(F)F 519160004 WVVBGDJFYQUUAG-QGZVFWFLSA-N 437.374 4.292 5 20 IIBD COc1ccccc1CNC(=O)[C@@H](C)SCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 519612948 WWNGGDQUILFQQY-CQSZACIVSA-N 427.482 4.197 5 20 IIBD Cc1ccc(C)c(Oc2ccc(CNC(=O)NCCOc3ccc([N+](=O)[O-])cc3)cn2)c1 521348490 MHBDEMSTDPACMD-UHFFFAOYSA-N 436.468 4.277 5 20 IIBD COc1ccc([C@H](Cc2ccccc2C)NC(=O)CNc2ccccc2[N+](=O)[O-])cc1OC 521577167 LRKAXIJNKZGTFR-NRFANRHFSA-N 449.507 4.433 5 20 IIBD O=C(Nc1cccc(C[S@](=O)C2CCOCC2)c1)Nc1ccc([N+](=O)[O-])cc1Cl 522370951 USGNKWLKQUMXIY-LJAQVGFWSA-N 437.905 4.320 5 20 IIBD COc1ccc(NC(=O)CSCC(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)cc1 522874478 WZSKTDTZRMITNH-UHFFFAOYSA-N 443.525 4.251 5 20 IIBD CC[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)Cc1cccc(Br)c1 522886268 JAOPYOVJRAZVEJ-ZDUSSCGKSA-N 449.301 4.127 5 20 IIBD Cc1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1NC(=O)CN1CCCCC1 523506711 HTHMTJNPAWDBLX-UHFFFAOYSA-N 438.528 4.244 5 20 IIBD C[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(NC(=O)NC2CC2)cc1 523877104 HDJUCJSHNLRKFD-CYBMUJFWSA-N 446.891 4.178 5 20 IIBD Cc1ccc(Oc2ccccc2)c(NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 531246662 YDIFJSDJWHGTPA-UHFFFAOYSA-N 433.468 4.445 5 20 IIBD C[C@H](c1ccc(Cl)c(Cl)c1)N(C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 533250679 HPEATKBAQFGPJT-SNVBAGLBSA-N 426.256 4.262 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(OCCc2ccccc2)CC1 533434563 SJHVDLFOHQWCSS-INIZCTEOSA-N 431.920 4.299 5 20 IIBD NC(=O)[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)c1cccc(Br)c1 534879965 CKRSCVWRTPVISU-SFHVURJKSA-N 427.258 4.058 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)Cc1ccc(C)cc1C 534988899 YGKJAXOBUUDXKL-MRXNPFEDSA-N 430.526 4.228 5 20 IIBD COc1cc(CN(C)Cc2cccc(N(C)C)c2)c([N+](=O)[O-])cc1OCC(F)(F)F 536667894 PTLZMBHZTINYIM-UHFFFAOYSA-N 427.423 4.243 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccnn2Cc2ccc(C(C)C)cc2)cc1[N+](=O)[O-] 536733212 VSOVVSNUXQDYNK-KRWDZBQOSA-N 449.511 4.087 5 20 IIBD COc1ccc(Cn2cc(C(=O)N(C)c3nc(-c4ccccc4[N+](=O)[O-])cs3)cn2)cc1 537150374 RPTNYQYBJSLFRB-UHFFFAOYSA-N 449.492 4.248 5 20 IIBD Cc1ccc([C@@H](CC(=O)OC(C)C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 540468318 LATZPKSSKXEHAY-LJQANCHMSA-N 433.892 4.168 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 542569245 OFTLUKYNBZXJSL-APWZRJJASA-N 434.489 4.123 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1 543177968 MUQDPJKUOMQDCJ-MRXNPFEDSA-N 436.468 4.138 5 20 IIBD Cc1cnc(O)n1-c1cccc(-c2noc(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)c1 544336112 KPHPYXIOPLOKAN-UHFFFAOYSA-N 432.440 4.112 5 20 IIBD CCOCc1ccccc1-c1noc(-c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)n1 545638568 SQODQGOGRGGJPJ-UHFFFAOYSA-N 438.469 4.128 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(-c2nc(-c3ccnc(OCC(F)F)c3)no2)c1 545845943 LHLSRPLYJYDVHV-UHFFFAOYSA-N 427.161 4.113 5 20 IIBD CCOc1cc(-c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)ccc1OCc1cccnc1 546260887 FVRAMPVUWRBSAH-UHFFFAOYSA-N 433.424 4.267 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1noc(CCc2nc(-c3ccc(Cl)cc3)no2)n1 547083932 YHBAWSQYOLXHGN-UHFFFAOYSA-N 440.847 4.121 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3ccc(F)cc3F)no2)c(I)c1 551466418 JBDVSYNDDHNHPS-UHFFFAOYSA-N 429.120 4.195 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 555009843 XYFGGKILMQPHBT-OAHLLOKOSA-N 448.545 4.070 5 20 IIBD CCN(CC)c1ccc(-c2nnc(Sc3ncnc4sc([N+](=O)[O-])cc34)n2C)cc1 557484878 WZVDGYWHKIHXRY-UHFFFAOYSA-N 441.542 4.392 5 20 IIBD Cc1ccc(-c2nnc(N3CCC(n4ccc([N+](=O)[O-])n4)CC3)n2CCc2ccccc2)o1 558935393 QJBILWCPVOJERK-UHFFFAOYSA-N 447.499 4.035 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC(C(F)(F)F)CC3)n2C[C@@H]2CCCCO2)c1 559216678 VWUSAKKCLUTSRJ-KRWDZBQOSA-N 439.438 4.201 5 20 IIBD C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)c2ccccc12 561629953 ZDLIJRHQVYSNCG-FZKQIMNGSA-N 441.484 4.431 5 20 IIBD Cc1nccn1-c1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 569753283 RBQLGKWFQRHCLG-OAHLLOKOSA-N 449.511 4.202 5 20 IIBD Cn1nc(-c2ccccc2)nc1Cc1noc(-c2ccc3[nH]c4ccccc4c(=O)c3c2)n1 573405375 BTKVBONMHSSBHQ-UHFFFAOYSA-N 434.459 4.118 5 20 IIBD O=C(NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 574672150 LGMKYKBGLRHGLW-XLIONFOSSA-N 449.467 4.249 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@H](c1c(Cl)cccc1Cl)C1CC1 574965298 CURXVWBBZIJEAQ-INIZCTEOSA-N 426.231 4.247 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])cn2C)n(-c2cc(C(F)(F)F)ccc2Cl)n1 592945155 CGOHTXMZUWLQCL-UHFFFAOYSA-N 427.770 4.352 5 20 IIBD Cc1ccc(CN(CCc2ccccc2)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 604163303 RONFTQJFVOWQHR-UHFFFAOYSA-N 437.521 4.483 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cccc(Br)c2C)ccc1[N+](=O)[O-] 608871629 BENIQBLINYGWNI-GOSISDBHSA-N 446.301 4.217 5 20 IIBD COc1cc(CCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])cc1OC 609035045 KGBMTTYQXAEOPR-KBPBESRZSA-N 439.295 4.381 5 20 IIBD O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(c2nc3ccccc3s2)C1 609453383 FBEMCTPHOPNFOY-HNNXBMFYSA-N 448.508 4.245 5 20 IIBD C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 609909289 AFJAIJHYOUMMAP-CJNGLKHVSA-N 441.488 4.032 5 20 IIBD Cc1cccc(CN(Cc2ccccn2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 610005212 KSGTZGALGHYWHO-UHFFFAOYSA-N 431.901 4.343 5 20 IIBD COc1cc(C(=O)NC2(c3cccc(F)c3)CC2)c([N+](=O)[O-])cc1OCc1cscn1 610052429 IVRSEGDGRAQQLJ-UHFFFAOYSA-N 443.456 4.197 5 20 IIBD COc1ccc2c(c1)OCC[C@H]2NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 610234083 CUNUMCXQKNLRBN-MGPUTAFESA-N 448.479 4.425 5 20 IIBD Cc1ccc(-n2cnnc2SCC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1Cl 610664690 SQUZDGSFOLJTSQ-UHFFFAOYSA-N 431.905 4.485 5 20 IIBD C[S@](=O)c1ccc(CNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 610861051 SYYKMDBHDCKWJG-LJAQVGFWSA-N 426.519 4.413 5 20 IIBD COc1cc(CNc2ccc3c(c2)C(=O)NCC3)ccc1OCc1ccc([N+](=O)[O-])cc1 610911033 BTFWJRUWDAWOPR-UHFFFAOYSA-N 433.464 4.080 5 20 IIBD Cc1nnnn1-c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)ccc1F 611205709 GCWPEJCQLXOWSB-UHFFFAOYSA-N 442.476 4.305 5 20 IIBD COc1cc(C(F)(F)F)ncc1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 616711385 UIDCXSWLPAWJCQ-UHFFFAOYSA-N 434.168 4.340 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N1CCCC[C@H]1c1noc(C2CC2)n1 618461438 JXVAFHLIJRMQFF-VIFPVBQESA-N 427.280 4.047 5 20 IIBD C[C@H](C(=O)Nc1nc(-c2ccc3c(c2)CN(C)C(=O)N3)cs1)c1cccc([N+](=O)[O-])c1 619464376 BQECWQAXBLKQSK-LBPRGKRZSA-N 437.481 4.438 5 20 IIBD Cc1nn(CCC(=O)Nc2ccc(N3CCc4sccc4C3)cc2)c(C)c1[N+](=O)[O-] 726505328 YMHBUTXLGWQKAC-UHFFFAOYSA-N 425.514 4.061 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N(C)Cc3nc(O)c4ccccc4n3)c([N+](=O)[O-])c2)cc1 727431589 SWWMHIBWQWKABZ-UHFFFAOYSA-N 443.463 4.441 5 20 IIBD CCC(C)(C)NC(=O)c1ccc(NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)cc1Cl 727665996 ZDCJRDAVNRSRBC-UHFFFAOYSA-N 433.892 4.356 5 20 IIBD C[C@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(I)c([N+](=O)[O-])c1 727748272 LHFAJYYYXRASLP-SNVBAGLBSA-N 428.201 4.172 5 20 IIBD O=C(COC(=O)c1cc(F)cc([N+](=O)[O-])c1)N[C@@H](c1ccccc1)c1cccc(Cl)c1 731528916 QXZQDDKTQGMOSS-NRFANRHFSA-N 442.830 4.450 5 20 IIBD COc1ccc(NC(=O)OC(C)(C)C)c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 732526231 WSDGHJNFHLAJGR-UHFFFAOYSA-N 437.474 4.060 5 20 IIBD O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C1(c2cccc(F)c2)CCCC1 735342071 WHHLUGXBEGOISM-UHFFFAOYSA-N 428.416 4.087 5 20 IIBD Cc1cc(=O)oc2cc(OCCOC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])ccc12 740958090 LKWYLDDFWSCXJJ-CYBMUJFWSA-N 447.827 4.053 5 20 IIBD C[C@H](OC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ncc(-c2ccccc2)o1 741312541 HBMRUUKETONTRG-AWEZNQCLSA-N 437.408 4.242 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC[C@@H](c1ccccc1Cl)N1CCCC1 742389813 MZSBCQNVMKMWNM-FQEVSTJZSA-N 430.892 4.454 5 20 IIBD CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)OC1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 744173458 FREKIFSGPVUDGA-PBEJRMEISA-N 434.533 4.489 5 20 IIBD COc1ccc([C@@H]2CCCCCN2C(=O)COC(=O)c2cc(C)ccc2[N+](=O)[O-])cc1 745387696 LSXHTPNRYFTRAP-FQEVSTJZSA-N 426.469 4.213 5 20 IIBD C[C@@H](CC(=O)c1ccccc1F)C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 745486705 KHNIAGQONDHCHI-STQMWFEESA-N 427.388 4.297 5 20 IIBD COc1ccc(-c2ncc(C(=O)OCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])s2)cc1 745556043 CRAOHMGOYQEFMS-UHFFFAOYSA-N 447.856 4.176 5 20 IIBD C[C@@]1(c2ccc(Br)s2)NC(=O)N(Cc2cc(Cl)ccc2[N+](=O)[O-])C1=O 746050122 NEGWUOPELGNYFA-HNNXBMFYSA-N 444.694 4.039 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 746437879 PRNDWSYJNMRPLI-AWEZNQCLSA-N 425.285 4.355 5 20 IIBD Cc1ccc(C)c(-n2ncc(NC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2C)c1 747362626 CHBMYVNMPWNKJT-UHFFFAOYSA-N 434.500 4.060 5 20 IIBD Cc1c(C(=O)N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748734140 ZDBUDFUQGUVKGW-DYESRHJHSA-N 427.457 4.360 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)CCc1cccc(F)c1F)c1cccc([N+](=O)[O-])c1 749848423 KWGIKCQDTQXGBL-SFHVURJKSA-N 446.450 4.434 5 20 IIBD O=C(OCCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cnc(-c2ccccc2)nc1 750397481 CBZSEFKZMIKFRC-UHFFFAOYSA-N 433.342 4.306 5 20 IIBD Cc1ccc(NC(=O)Cc2nc(COC(=O)c3cc(F)cc(C)c3[N+](=O)[O-])cs2)cc1 752555600 SMBXFKCQJPCJRF-UHFFFAOYSA-N 443.456 4.345 5 20 IIBD O=C(Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2F)c1)c1cc([N+](=O)[O-])ccc1F 752859875 IUCSPYAWXQSNSP-UHFFFAOYSA-N 442.334 4.286 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCC(N(C)CC(F)F)CC3)c([N+](=O)[O-])c2)cc1 753114695 GWKIEGBQIUVUJE-UHFFFAOYSA-N 432.471 4.321 5 20 IIBD CC(=O)c1cccc(NC(=O)[C@@H](OC(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C(C)C)c1 754988038 OCWWWWIFPVCXDJ-SFHVURJKSA-N 436.823 4.410 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2cc(-c3ccccn3)ccc2Cl)c([N+](=O)[O-])c1 754989507 FSKIOMFHOJTWAT-UHFFFAOYSA-N 441.827 4.114 5 20 IIBD Cc1cccc(C)c1NC(=O)CN(C)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 755023868 AFHHDPLFCFOTEO-UHFFFAOYSA-N 435.278 4.077 5 20 IIBD C[C@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H](O)c1c(Cl)cccc1Cl 757256502 PSNUPQQEDMPCDI-XXFAHNHDSA-N 432.691 4.476 5 20 IIBD COc1ccc2c(c1)CN(Cn1c(=O)oc3ccc([N+](=O)[O-])cc31)[C@H](c1ccccc1)C2 759146658 KHHGRWQUNJJWOY-NRFANRHFSA-N 431.448 4.268 5 20 IIBD COCCOc1cc(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)nc2ccccc12 759365754 UGEYYENCYSNUIN-UHFFFAOYSA-N 449.419 4.180 5 20 IIBD Cc1noc(C)c1-c1ccc(OC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 759881391 KLGVGQGMZIEQJN-MRXNPFEDSA-N 441.465 4.138 5 20 IIBD CC(C)n1ncc2c(C(=O)O[C@@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)cc(C3CC3)nc21 759935552 SEDFHBVSYDNCRI-RTBURBONSA-N 438.488 4.335 5 20 IIBD CC(C)Oc1cc(CN(C(=O)c2cccc([N+](=O)[O-])c2Br)C2CC2)ccn1 760855468 MIHMAWXTBXWDDQ-UHFFFAOYSA-N 434.290 4.344 5 20 IIBD CN(Cc1ccccc1Br)C(=O)CCNCc1ccc([N+](=O)[O-])c(Cl)c1 761520237 MZBDLNYZJKTHFB-UHFFFAOYSA-N 440.725 4.149 5 20 IIBD Cc1c(Br)cc(-c2nc(-c3ccc(-n4ccnc4C)nc3)no2)cc1[N+](=O)[O-] 761917994 MVLBQQFLGJJCIH-UHFFFAOYSA-N 441.245 4.272 5 20 IIBD CC(C)(CO)CCCNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 762985301 RPVARZJMXIZYPR-UHFFFAOYSA-N 433.892 4.029 5 20 IIBD COc1cc(N2CCC(OC(=O)c3cc(F)c(Cl)cc3F)CC2)ccc1[N+](=O)[O-] 764659291 QWGWGDLCMQFPKT-UHFFFAOYSA-N 426.803 4.361 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(N2CCC([C@H]3CCCCCN3C(C)=O)CC2)cc1Cl 765499544 HIWKVUDTBKSSGU-GOSISDBHSA-N 437.924 4.042 5 20 IIBD COc1ccc(CNC(=O)N(Cc2ccccc2)C[C@@H](O)c2cccc(C)c2)cc1[N+](=O)[O-] 769037326 LTZZJYFNUSQLTI-HSZRJFAPSA-N 449.507 4.357 5 20 IIBD CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)N2C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 769681097 NARAPBJWLWPSRZ-GOOCMWNKSA-N 428.489 4.127 5 20 IIBD CC(C)C(=O)N(C)Cc1ccc(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1 770325690 PQMSRACANCWBBF-UHFFFAOYSA-N 434.290 4.224 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc([C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)c1 771390703 MYRXADXPRLEWNN-JTQLQIEISA-N 434.792 4.279 5 20 IIBD Cc1noc(C)c1-c1csc(=Nc2ccc(C(N)=O)cc2)n1Cc1ccccc1[N+](=O)[O-] 771918576 XWWYFPXEBGWISG-UHFFFAOYSA-N 449.492 4.109 5 20 IIBD Cc1cc(C[C@@H](C)NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)n(-c2ccccc2)n1 773038475 SWDHHCAGFFEYBP-CQSZACIVSA-N 427.892 4.173 5 20 IIBD CCOc1ccc(-c2nc(COC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)co2)cc1 773148747 FADFUZZLXPXANX-UHFFFAOYSA-N 448.435 4.406 5 20 IIBD COc1ccc([C@@H](C)OC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)c(Br)c1 776351902 IWUXIGLEMRATDH-LLVKDONJSA-N 440.246 4.058 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1 778202536 BYOVQPBFGZMXDW-HNNXBMFYSA-N 438.839 4.353 5 20 IIBD COc1ccc(-c2nc(COC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cs2)cc1 781688410 CMJVJHCVKVACMR-UHFFFAOYSA-N 443.437 4.311 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1ccc(Oc2cccc(F)c2F)nc1 782484403 PTRFPPYTBFDWRY-UHFFFAOYSA-N 425.344 4.000 5 20 IIBD CC(C)(CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc(C(F)(F)F)c1 783320567 XUGLIGZNKYNCRN-UHFFFAOYSA-N 443.809 4.300 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Oc1cc(Br)cc(F)c1F 785382715 IUXYEHNVTKJZSH-UHFFFAOYSA-N 428.594 4.057 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1C(=O)N(C)C(C)C 785713266 LAOVGEJXVNZYIB-UHFFFAOYSA-N 434.290 4.398 5 20 IIBD CC(C)(C)OC(=O)NCc1cccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 787134357 BZNQUAJHJRONMB-UHFFFAOYSA-N 425.485 4.424 5 20 IIBD COc1cc(C)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2Br)cc1Cl 788552910 TXINHHQXNLUZDN-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)C12CCC(C(=O)Nc3cccc([N+](=O)[O-])c3)(CC1)CC2 789867969 KGJSQXVZEXAPPL-UHFFFAOYSA-N 438.440 4.421 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)CCc1cccc(N(C)C)c1 790135022 GSQHOGLMZUBFCI-UHFFFAOYSA-N 437.500 4.081 5 20 IIBD CCOc1ccccc1CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 790691365 QOFZUGKVABRNHP-UHFFFAOYSA-N 434.290 4.024 5 20 IIBD COc1ccc(-c2ccc(NC(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)nc2)cc1Cl 791881025 HPWBCCFOTHIKDD-UHFFFAOYSA-N 437.843 4.307 5 20 IIBD C[C@@H]1CN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C[C@H](c2cccc(C(F)(F)F)c2)O1 793704554 RMEXUSXZIAAVLQ-AUUYWEPGSA-N 447.417 4.292 5 20 IIBD O=C(COc1cc(F)c([N+](=O)[O-])cc1Cl)NCc1cccc(OCC(F)(F)F)c1 795248104 WXKQGFJEHHJFAM-UHFFFAOYSA-N 436.745 4.024 5 20 IIBD Cc1nc(SC(F)F)sc1CC(=O)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 796859772 AEQGTUATXNMRRD-LLVKDONJSA-N 447.460 4.178 5 20 IIBD O=C(c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O)N1CCSC2(CCCCC2)C1 798174167 SPHUOXFIQQMYHZ-UHFFFAOYSA-N 436.921 4.031 5 20 IIBD Cc1nc2ccccc2c(C)c1CC(=O)O[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 798734632 FIRMHZXYFUAYIL-AWEZNQCLSA-N 425.416 4.012 5 20 IIBD COc1ccc(CN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)[C@@H](C)C2CC2)c(OC)c1 800857713 BUOPDGFDXWQISI-INIZCTEOSA-N 437.500 4.129 5 20 IIBD O=C(Nc1ccccc1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc12)OCc1ccccc1 802906391 RBOPXKOILAEFDQ-UHFFFAOYSA-N 431.408 4.472 5 20 IIBD CC(=O)c1oc2cc(C)ccc2c1CC(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 805662550 DHJUQWNJFUPTQP-OAHLLOKOSA-N 438.436 4.273 5 20 IIBD O=C(Nc1ccc(I)cn1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813020878 DSDTVKJGYYZBLY-UHFFFAOYSA-N 438.008 4.154 5 20 IIBD Cc1ccc(CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c(-n2cc(Cl)cn2)n1 813209669 AXVALHQZBDJELI-UHFFFAOYSA-N 440.674 4.374 5 20 IIBD CCN(CC)CC(=O)Nc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 813248787 RXUPWVQTKRPSGJ-UHFFFAOYSA-N 439.299 4.434 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])cc2F)C[C@@H](C)O1 813835392 QFAJRAUEBFNKKW-GASCZTMLSA-N 430.480 4.404 5 20 IIBD O=C(COc1cccc(Cl)c1[N+](=O)[O-])c1ccccc1N1C(=O)c2ccccc2C1=O 814773516 KCIBHKYTZGITPQ-UHFFFAOYSA-N 436.807 4.311 5 20 IIBD O=C(Nc1cccc(NS(=O)(=O)Cc2ccccc2)c1)c1ccc([N+](=O)[O-])c(Cl)c1 817029909 RNPZNHHBYOKCSR-UHFFFAOYSA-N 445.884 4.442 5 20 IIBD C[C@H](OC(=O)[C@@H](C)Oc1ccccc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 914641611 BKDNRVPUGKETRH-WDEREUQCSA-N 427.240 4.239 5 20 IIBD Cc1ccc(OC(=O)CCc2nc(O)c3c4c(sc3n2)C[C@@H](C)CC4)c([N+](=O)[O-])c1 917028078 MZUKPFSXFPQOAK-LBPRGKRZSA-N 427.482 4.277 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NCc2ccc(CN3C[C@@H](C)C[C@@H](C)C3)cc2)c1[N+](=O)[O-] 917075596 JKMSGBNKCUEIGT-IYBDPMFKSA-N 442.516 4.394 5 20 IIBD Cc1cc(O[C@@H](C)C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])ccc1Cl 919475850 ZIJPTGCEHJDUFI-NSHDSACASA-N 427.240 4.159 5 20 IIBD COc1ccc(CC(=O)NCc2ccc(C(=O)O[C@@H](C)c3ccccc3[N+](=O)[O-])cc2)cc1 920269503 SSFRXDBMCUQLDF-KRWDZBQOSA-N 448.475 4.380 5 20 IIBD Cc1c(C(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 920284850 JMJHJSKGERGBTF-LLVKDONJSA-N 427.335 4.244 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@H]1COc1ccc(Cl)cc1 920315035 AMQYRXHEKZOVOB-ZDUSSCGKSA-N 431.297 4.134 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)CSc1ccccc1)c1cccc([N+](=O)[O-])c1 920455754 UVPUSGDKONPINS-GOSISDBHSA-N 428.510 4.315 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@H](c2ccc(Cl)s2)C1 1254318964 AENDICMGQZACBV-AWEZNQCLSA-N 430.313 4.289 5 20 IIBD COC(=O)[C@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1Cl 1317749221 OTYQXWYJYWNLCG-CQSZACIVSA-N 428.622 4.082 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)[C@@H]3CC3(F)F)CCC2)cc1 1786600630 ZVVLLXWIGNXJTO-IBGZPJMESA-N 443.450 4.317 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccccc3O)cc2)CCC1)c1cc(O)cc([N+](=O)[O-])c1 1787196827 ILLSWFZHTKAXMI-UHFFFAOYSA-N 447.447 4.068 5 20 IIBD Cc1ccn(C)c1C(=O)NC1(c2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2)CCC1 1790618579 BGJPEYHCIYDOIH-UHFFFAOYSA-N 448.479 4.009 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)Nc1ccc(C2(NC(=O)c3ccncc3)CCC2)cc1 1790806325 JTNYNRYHNTXMHG-UHFFFAOYSA-N 446.463 4.065 5 20 IIBD CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)n[nH]1 1820841399 UBFCMFRQRJUBDG-IBGZPJMESA-N 439.516 4.232 5 20 IIBD Cc1c(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CC2CC2)CC3)cc(Cl)cc1[N+](=O)[O-] 1823703734 RBOYEQRXMBQQRN-ZDUSSCGKSA-N 448.932 4.039 5 20 IIBD Cc1cc(CCCC(=O)N2CCCC23CN(C(=O)[C@@H]2CCC[C@H]2C)C3)c([N+](=O)[O-])cc1F 1841507015 HPCDMYGOXXACRB-VQIMIIECSA-N 445.535 4.005 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC2(CCCN2C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)C1 1843939264 RUFKQIJGYHIMHS-ORYQWCPZSA-N 443.519 4.157 5 20 IIBD Cc1cccc(N2C(=O)/C(=C\c3ccc(Br)c([N+](=O)[O-])c3)NC2=S)c1C 15254755 WUVJSNWVMNTSEZ-RIYZIHGNSA-N 432.299 4.236 5 20 IIBD Cc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 15352201 TVSIPXBHTHYGND-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 15390241 RSDFPYGXLZELIM-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nccn1-c1cccc(Cl)c1C 21533523 SVQNTUIGNYOFHH-UHFFFAOYSA-N 432.889 4.482 5 20 IIBD CCc1nc2ccc(C(=O)O[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2nc1CC 22058413 MWVWYMXJDAUOPJ-CQSZACIVSA-N 436.468 4.155 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(I)cc1 23124714 MAQFBVBHOCTZRM-SNVBAGLBSA-N 428.251 4.319 5 20 IIBD CSc1ccccc1NC(=O)[C@@H](C)OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 24792930 LXEVKXHAIDUBEH-OAHLLOKOSA-N 443.525 4.104 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1nc(CN2CCCCC2)cs1 26362543 FDXYSRROWFAGPX-UHFFFAOYSA-N 432.549 4.236 5 20 IIBD O=C(Nc1ncc(Cc2ccc(Br)cc2)s1)c1ccc([N+](=O)[O-])c(O)c1 28642680 ZLMIGIQETDCBSD-UHFFFAOYSA-N 434.271 4.363 5 20 IIBD COC(=O)[C@H](C)NC(=O)c1ccc(NC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 29067613 UAGCCGNUYLZCSE-INIZCTEOSA-N 433.464 4.088 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC(N4CCCCC4)CC3)cc2[N+](=O)[O-])C1 58269126 AEBWOMSLIGAWMA-KDURUIRLSA-N 428.577 4.168 5 20 IIBD Cc1ccc(-c2csc(NC(=O)[C@H]3CC(=O)Nc4cc(F)ccc43)n2)cc1[N+](=O)[O-] 97041723 VUBJMVHCKUHJBM-AWEZNQCLSA-N 426.429 4.230 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)c1 107540383 CPMIYIRDJBMLFK-UHFFFAOYSA-N 443.506 4.370 5 20 IIBD COc1ccc(CSCC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] 108691707 FWNRCKJPWFNLDO-LJQANCHMSA-N 436.917 4.090 5 20 IIBD O=C(c1ccc(COc2ccccc2)cc1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 109331835 IJIXAZPNEBHLKC-UHFFFAOYSA-N 431.492 4.132 5 20 IIBD CN1CCC(N2CCC(NCc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)CC2)CC1 237071785 UCRXIIVOZBWSPD-UHFFFAOYSA-N 442.535 4.174 5 20 IIBD CC1CCN(C2CCC(Nc3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])CC2)CC1 301778116 PSOZIBOMDWPVNW-UHFFFAOYSA-N 431.505 4.046 5 20 IIBD CCCCS(=O)(=O)Nc1ccc(NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 428908235 VABSHQZPCMYBCN-OAHLLOKOSA-N 434.518 4.328 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 430138838 OJEBOPZAXGZKOH-DENIHFKCSA-N 432.517 4.378 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1C 435221732 CTERIBBYMZWYKU-GFCCVEGCSA-N 449.476 4.255 5 20 IIBD Cc1ccc(Br)cc1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] 438993479 KKUVOOBGKMVWTO-UHFFFAOYSA-N 428.080 4.358 5 20 IIBD C[C@@H](NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])c1nnnn1-c1ccccc1 440606541 ASZZFOWXFRXPJK-OAHLLOKOSA-N 446.492 4.213 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(F)cc2C(F)(F)F)c(Br)c1 442840253 DAOSYFJWVYRKIB-UHFFFAOYSA-N 443.172 4.316 5 20 IIBD C[C@H](CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1ccc(C(F)(F)F)cc1 443401074 YLVZZDNYPYGFLY-CYBMUJFWSA-N 433.386 4.461 5 20 IIBD Cc1ccc(Br)cc1NC(=O)CCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C 443955495 GQZGIUDDABIMEU-UHFFFAOYSA-N 449.305 4.433 5 20 IIBD C[C@H]1[C@@H](c2ccc(Br)cc2)OCCN1Cc1nc2ccc([N+](=O)[O-])cc2[nH]1 444664354 NNWYUEPSJNWLSY-BUXKBTBVSA-N 431.290 4.196 5 20 IIBD CCCC(=O)Nc1ccc(Cl)c(NC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 444946533 JDYGOZIDAFIWTC-UHFFFAOYSA-N 430.852 4.185 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCn2c(cc3c(Cl)cccc32)C1 445080845 STNPBQKWKCIESA-UHFFFAOYSA-N 426.281 4.061 5 20 IIBD COc1ccc(NC(=O)CSc2ccc(Br)cc2[N+](=O)[O-])c(OC)c1 447350242 INUNISOPRWSSRW-UHFFFAOYSA-N 427.276 4.105 5 20 IIBD Cn1ccnc1CC1CCN(c2c([N+](=O)[O-])cnc3ccc(Br)cc23)CC1 448131984 FBQJCDZEIHKASD-UHFFFAOYSA-N 430.306 4.098 5 20 IIBD CCS[C@@H]1CCCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCOC2)C1 461536857 NVLKSNSNUXCLQO-QFBILLFUSA-N 431.562 4.002 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(-c2ccc(CNC(C)=O)o2)cs1 462438825 FLKOPIVKOYUFGS-HNNXBMFYSA-N 442.497 4.155 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cc2nnc3ccccn23)cc1 462504157 TXSMGFGOANWQOK-LJQANCHMSA-N 429.480 4.436 5 20 IIBD COc1ccc([C@@H](C)CCNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)cc1 462881542 PJVIUSWHMIKZPB-AWEZNQCLSA-N 428.876 4.408 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc(Cc2nnc3n2CCCCC3)cc1 464106204 BHWMFKFVYJWJCP-UHFFFAOYSA-N 444.495 4.097 5 20 IIBD CC(C)c1cc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)n(-c2ccccc2)n1 464657276 BYBJSUGNISPMCI-UHFFFAOYSA-N 449.467 4.231 5 20 IIBD CC[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1nc(C(F)(F)F)cs1 465263451 ZDJFYRGAAVFIQL-CYBMUJFWSA-N 425.392 4.137 5 20 IIBD CCCOc1cc(NC(=O)N[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c([N+](=O)[O-])cc1OCCC 466141347 NCYXZZGIPVOTIY-JSNMRZPZSA-N 435.521 4.498 5 20 IIBD CS(=O)(=O)c1cccc([C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccc(F)cc2)c1 466410176 PIQXWOPZQWPAAV-HXUWFJFHSA-N 443.456 4.049 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@@H]1c1cc2c(cc1OCC)C[C@H](C)O2 466497835 VYXCPPDULPMLNJ-FDQGKXFDSA-N 426.469 4.458 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cc(I)ccc1Cl 466871499 SBUBHSNBWNKBNF-UHFFFAOYSA-N 430.629 4.424 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3C[C@@H](C)O[C@H](c4ccsc4)C3)cc2)c(C)c1[N+](=O)[O-] 470738968 WXSCIDWQDZSAFK-VLIAUNLRSA-N 440.525 4.120 5 20 IIBD CN1CCN(CCC(C)(C)NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 472141376 BOOIFSPIAYBIPD-UHFFFAOYSA-N 430.524 4.032 5 20 IIBD O=[N+]([O-])c1ccc(OCCOc2ccc(Oc3ncc(Br)cn3)cc2)cc1 473674934 HVBXPXVEJMSTCO-UHFFFAOYSA-N 432.230 4.397 5 20 IIBD CC(C)c1ccc(C(=O)N(C)[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1[N+](=O)[O-] 474208317 GYCMUUGDFBCIFI-MRXNPFEDSA-N 445.541 4.091 5 20 IIBD COC(=O)c1cc(-c2csc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)c[nH]1 474602586 NAXZUYGBWIDNBE-UHFFFAOYSA-N 440.359 4.104 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 476904295 FAWSXILALODPAE-UHFFFAOYSA-N 430.936 4.097 5 20 IIBD COc1ccc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 480549289 HRZCCDBIEAZIEL-XIKOKIGWSA-N 438.267 4.068 5 20 IIBD Cn1c([C@@H](NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c2ccccc2)nc2ccccc21 481408009 ULSIRXYWPGTICM-QFIPXVFZSA-N 440.463 4.411 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2ccc(NC(C)=O)cc2s1 482027257 VPKKOTVUKAXGSS-UHFFFAOYSA-N 446.510 4.154 5 20 IIBD COC(=O)[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(OC)c(O)c1 483640089 QRDZHZPKDXFUJR-HXUWFJFHSA-N 446.843 4.226 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1 485818244 RKCUNKUYBZCNGW-IBGZPJMESA-N 449.960 4.164 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2nc3c(Cl)cccc3s2)ccc1[N+](=O)[O-] 486143803 AGAZVIFRKAILQP-OAHLLOKOSA-N 444.900 4.410 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccc(N2CCCCCC2)nc1 486326007 XLKQVONLMZVRKU-UHFFFAOYSA-N 431.924 4.066 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H]2CCC[C@@H](N(C)C)C2)cc1[N+](=O)[O-] 487407519 AHRMEGGHLJSQEK-DLBZAZTESA-N 441.553 4.150 5 20 IIBD CC(C)CCn1ncc(NC(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1C(C)C 487753654 LDJQHEZGJGJLKV-UHFFFAOYSA-N 441.532 4.091 5 20 IIBD CCc1c(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)cnn1-c1ccccc1Cl 489750776 AKCMMDNOVJJZJE-UHFFFAOYSA-N 442.859 4.344 5 20 IIBD COc1cc([C@H](NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C(F)(F)F)cc(OC)c1OC 491369635 VTPMESYJQPBEKJ-KRWDZBQOSA-N 443.378 4.354 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H](C(C)(C)C)C[C@H]1C 491596892 OXQSKEWDTBHLOD-SUMDDJOVSA-N 435.590 4.120 5 20 IIBD CCNc1ccc(C(=O)NCc2cccc(C(=O)NCc3ccc(C)cc3)c2)cc1[N+](=O)[O-] 494443153 QYPPBGIVLYEVCG-UHFFFAOYSA-N 446.507 4.195 5 20 IIBD CCN(C(=O)COc1ccccc1[N+](=O)[O-])[C@H](c1cccnc1)c1ccc(F)cc1F 496572960 NDOLCOCHOXNIGO-JOCHJYFZSA-N 427.407 4.285 5 20 IIBD COc1ccc(CSCC(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)cc1[N+](=O)[O-] 502171437 DCOASZUEVYPJRA-UHFFFAOYSA-N 431.514 4.004 5 20 IIBD CCn1c2ccccc2c2cc(NC(=O)Cn3c(=O)oc4ccc([N+](=O)[O-])cc43)ccc21 502820286 WAWWHWHSZFNWBI-UHFFFAOYSA-N 430.420 4.269 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)Cc1cccc(Br)c1 503281290 OVPNWKSZUYPEAF-NSHDSACASA-N 427.682 4.437 5 20 IIBD Cc1cc(N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nn1CCCOc1ccc(F)cc1 504388148 OHGJJVCPBPVRGF-INIZCTEOSA-N 441.463 4.147 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN([C@@H](C)c2ccccc2F)C1=O 505404893 VXJXVNSKYZUTGL-IFXJQAMLSA-N 445.516 4.328 5 20 IIBD COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 505507553 RGEBLCZCUATYJX-UHFFFAOYSA-N 448.435 4.416 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2CCCc2ccccc2)cc1[N+](=O)[O-] 507949993 NLAIMZDTCPHFAP-IBGZPJMESA-N 430.526 4.016 5 20 IIBD CSCC[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)c1nnc2ccccn12 509359854 SZSCYTNMRJMMJL-SFHVURJKSA-N 442.545 4.052 5 20 IIBD CCOc1ccc(C2=CCN([C@H](C)C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])CC2)cc1 509462961 KVNGOPRYNCOLBS-MRXNPFEDSA-N 425.485 4.118 5 20 IIBD O=C(NCC1(c2ccccc2)CCC1)c1ccc([N+](=O)[O-])cc1I 511009721 CLZFGCWAQYCWCZ-UHFFFAOYSA-N 436.249 4.051 5 20 IIBD O=C(Nc1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1I 511417293 WVVMSPGSQYBAKT-UHFFFAOYSA-N 425.207 4.061 5 20 IIBD CN(CC(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1ccccc1[N+](=O)[O-] 511708011 PTSVGWHEOHKLNH-INIZCTEOSA-N 433.333 4.052 5 20 IIBD O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N(Cc1cccs1)c1ccc(F)cc1F 511835396 QIGPHMWJTUSGJT-UHFFFAOYSA-N 441.419 4.362 5 20 IIBD COc1cc(C(=O)Nc2ccc(Oc3ccc(C)cc3OC)nc2)c([N+](=O)[O-])cc1OC 512523276 GFWAXIJOMIGKSJ-UHFFFAOYSA-N 439.424 4.369 5 20 IIBD COC(=O)c1cc(CN(C)C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)oc1C 512646113 TVZOCFULARKJQT-GJZGRUSLSA-N 443.500 4.037 5 20 IIBD CCN(Cc1ccccc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C(C)=O 515156825 AXFDDPROHLWMJM-UHFFFAOYSA-N 439.390 4.157 5 20 IIBD CCOc1cc2c(cc1NC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)O[C@@H](C)C2 519096185 YYGIJYBZCABDRU-ZDUSSCGKSA-N 432.498 4.197 5 20 IIBD O=[N+]([O-])c1cccc(-n2ccc(-c3nc(-c4cccc(CN5CCCCC5)c4)no3)n2)c1 520303347 LKIDOIGBNSSMFB-UHFFFAOYSA-N 430.468 4.483 5 20 IIBD COc1cc(OCc2nc(-c3cccc(OCc4cccnc4)c3)no2)ccc1[N+](=O)[O-] 521043583 OGPSBKYEAOVOTM-UHFFFAOYSA-N 434.408 4.206 5 20 IIBD CCOc1ccc([C@H](C)NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cc1OCC 521358228 WQCOHFSOSCWUGD-ZDUSSCGKSA-N 425.441 4.137 5 20 IIBD C[C@H](NC(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1cccc([N+](=O)[O-])c1 522048829 CNGXKQIKERNEBL-KSSFIOAISA-N 434.899 4.412 5 20 IIBD Cc1ccc(-c2nc(CCNC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)co2)cc1 523374046 MYXGJDLBOSBYLE-UHFFFAOYSA-N 434.496 4.134 5 20 IIBD COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COc2ccc(F)cc2[N+](=O)[O-])cc1 524161666 KHDXWMQOUFIJEC-OAQYLSRUSA-N 449.438 4.499 5 20 IIBD Cc1cccc(Oc2ccc(NC(=O)N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)cn2)c1C 525233170 TYOOQSCSBHKKSW-UHFFFAOYSA-N 448.483 4.148 5 20 IIBD COc1cc(CN(C)Cc2nccn2Cc2ccccc2)c([N+](=O)[O-])cc1OC(F)F 525785130 LUMSJTFFIFOTIU-UHFFFAOYSA-N 432.427 4.082 5 20 IIBD COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC3 527356698 LNYBTWDZAPXYFQ-UHFFFAOYSA-N 428.832 4.106 5 20 IIBD COc1cc(CNCc2nnc(C(C)C)s2)ccc1OCc1ccc([N+](=O)[O-])cc1 532077440 CFWIOENBGOZTLI-UHFFFAOYSA-N 428.514 4.447 5 20 IIBD CN1CC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(Cl)c(F)c1 534958848 IZPPJHIRLLDSOA-VBKZILBWSA-N 440.302 4.392 5 20 IIBD CCOc1cc(NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)c([N+](=O)[O-])cc1OCC 535323681 AEDJESVFMAMSDX-UHFFFAOYSA-N 430.848 4.484 5 20 IIBD CC(C)(C)c1ccccc1NC(=O)C[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 536304930 HBTQIZWJQBOJHK-HKBQPEDESA-N 441.509 4.435 5 20 IIBD Cc1ccc(-c2nnc(SCCn3cc([N+](=O)[O-])ccc3=O)n2-c2ccccc2)cc1 536449355 UQGCZVHJLJHQJQ-UHFFFAOYSA-N 433.493 4.105 5 20 IIBD O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 539800512 QBWUDURTQQLGGO-INIZCTEOSA-N 440.308 4.063 5 20 IIBD Cc1[nH]nc(C(F)F)c1NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 539938650 QVKRHDDMVUBKJT-UHFFFAOYSA-N 447.364 4.438 5 20 IIBD C[C@H]1CN(CCOC2CCN(C(=O)c3cc4ccccc4c4cccnc34)CC2)C[C@@H](C)O1 540227289 KNXNPKZNTHRSAI-BGYRXZFFSA-N 447.579 4.118 5 20 IIBD CC(C)N1C(=O)C[C@@H](C(=O)NCc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 540644525 MDCCMKMGQCCVGA-QRWLVFNGSA-N 433.867 4.002 5 20 IIBD CCN(c1ccccc1)c1ccc(CNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)cc1 541113935 DERLPNQAJXLPIF-UHFFFAOYSA-N 426.498 4.012 5 20 IIBD C[C@H]1C[C@H](CCNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CCO1 541345894 KZYQHQGDNWHBSZ-NWDGAFQWSA-N 427.288 4.022 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2cccc(-c3cnn[nH]3)c2)cc1[N+](=O)[O-])c1ccccn1 543440888 QBHRTVLTECYJEJ-CQSZACIVSA-N 429.440 4.200 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(-c3nc(-c4ccc(C(=O)N(C)C)cc4)no3)cc2[N+](=O)[O-])C1 545044782 PHYGOVJSRZRAEZ-IYBDPMFKSA-N 449.511 4.496 5 20 IIBD O=[N+]([O-])c1ccc2nc(O)cc(-c3nc(-c4cnc(Oc5ccccc5)cn4)no3)c2c1 547225114 DRKJNIWALNIIPJ-UHFFFAOYSA-N 428.364 4.148 5 20 IIBD O=C(N[C@H](CO)c1ccc(C(F)(F)F)cc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 547720011 RXNOBTJEPLUQOJ-HXUWFJFHSA-N 426.394 4.164 5 20 IIBD Cc1ccc(-c2nnc(N(C)Cc3ccccc3[N+](=O)[O-])n2C[C@@H]2CCCCO2)s1 550048009 KRZNORYAMZRNKU-KRWDZBQOSA-N 427.530 4.429 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(F)c(Br)c(Cl)c2)c(C)c([N+](=O)[O-])c1 552212946 YVPDGMJLFATSBJ-UHFFFAOYSA-N 445.628 4.497 5 20 IIBD COc1cc(C(=O)NCCn2ccc3cc(Cl)ccc32)c([N+](=O)[O-])cc1OC(F)F 552601052 BUTRRKDQGXWLPR-UHFFFAOYSA-N 439.802 4.243 5 20 IIBD CC(C)c1[nH]nc(C(=O)N2C[C@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] 553380724 KMFLAVLNTVEOMO-FZMZJTMJSA-N 426.395 4.062 5 20 IIBD CC(C)c1[nH]nc(C(=O)N2C[C@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] 553380726 KMFLAVLNTVEOMO-SMDDNHRTSA-N 426.395 4.062 5 20 IIBD Cc1noc([C@H]2CCCCN2C(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)n1 553729977 ZDXGBWIECRLMAU-ZRGWGRIASA-N 427.505 4.136 5 20 IIBD CNC(=O)CC[C@@H]1CCCCN1C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 574541725 UJVBYKPFMWMBNQ-HNNXBMFYSA-N 448.570 4.032 5 20 IIBD CC(C)[C@H]1CN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCCO1 575089780 ZRGHDYNNHOAGCS-HSZRJFAPSA-N 448.523 4.264 5 20 IIBD O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)Nc1ccc(Oc2ccccc2)cc1 577245270 KDOSBUCBKDKLEX-UHFFFAOYSA-N 444.447 4.166 5 20 IIBD CCN1CCCC[C@H]1CNC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 579456685 DVERUVBFQLUWDZ-KRWDZBQOSA-N 441.553 4.152 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCCOc2ccccc2)cc1[N+](=O)[O-] 600859552 VIDAWTQQORYYDU-UHFFFAOYSA-N 436.489 4.357 5 20 IIBD COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C(=O)N2[C@H](C)CCC[C@H]2C)cc1OC 603596429 FMLQRRNFZQRBKD-HUUCEWRRSA-N 441.484 4.267 5 20 IIBD CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)NCCNc1ccccc1[N+](=O)[O-] 603752234 BGXILSXQUZKHNM-UHFFFAOYSA-N 441.488 4.063 5 20 IIBD COc1ccc(-c2csc3ncnc(N4N=C(c5ccc([N+](=O)[O-])cc5)CC4=O)c23)cc1 603924119 YMXCHIPOLNLRSJ-UHFFFAOYSA-N 445.460 4.416 5 20 IIBD COc1cc(C(=O)N2CCC(Cc3cccc(F)c3)CC2)c([N+](=O)[O-])cc1OC(F)F 603928331 ONIYRZPQIPDQBB-UHFFFAOYSA-N 438.402 4.439 5 20 IIBD Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)CCOc1ccccc1[N+](=O)[O-] 603977255 ZFRFIKPRKOFDLU-IRXDYDNUSA-N 439.512 4.429 5 20 IIBD O=C(NCCC(=O)N(Cc1cccs1)c1ccc(F)cc1F)c1ccc([N+](=O)[O-])cc1 603993901 FSAUHTJBWMGDJM-UHFFFAOYSA-N 445.447 4.288 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCc2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-])c1ccccn1 608952534 AIKDODOEFZFARQ-INIZCTEOSA-N 448.479 4.254 5 20 IIBD COc1ccc(NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])cc1OCc1ccc2ccccc2n1 609077426 UHZGUUHXJIGNBM-UHFFFAOYSA-N 433.424 4.014 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)Cc2ccc(C(F)(F)F)cc2)cc1OC 609510405 JWLLGXSGDYXXAE-GFCCVEGCSA-N 426.391 4.382 5 20 IIBD CN1CCC(N2CC[C@@H](NCc3ccc(Oc4ccccc4Cl)c([N+](=O)[O-])c3)C2)CC1 609571442 BLUZHEJSBUGNHE-GOSISDBHSA-N 444.963 4.299 5 20 IIBD Cc1ccc(NCCCNC(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)c([N+](=O)[O-])c1 610090291 YDJNMXPKDHJJIO-UGKGYDQZSA-N 426.517 4.172 5 20 IIBD CC(=O)N(Cc1ccc(NC(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])cc1)C1CC1 610096021 KAGRUAYCXWEZTO-UHFFFAOYSA-N 439.516 4.038 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)c1nn(-c2cccc(Br)c2)c2c1CCC2 610173785 UONJUIRNLOIEJW-UHFFFAOYSA-N 445.248 4.423 5 20 IIBD Cn1cc(C(=O)N2CCC(OCC3CCCCC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 610237025 OYUWIVWCDSGFBJ-UHFFFAOYSA-N 426.517 4.197 5 20 IIBD O=C(NC1CCN([C@H]2CCCC[C@H]2O)CC1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611213436 CKVRPWWCBORULV-LEWJYISDSA-N 447.601 4.127 5 20 IIBD Cn1c(COc2ccc(Cl)cc2)nnc1Sc1ncnc2ccc([N+](=O)[O-])cc12 611701513 JWLOYJJRGLITPY-UHFFFAOYSA-N 428.861 4.050 5 20 IIBD O=C(CC1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1)NC1CCCC1 613862016 YXFFGFUSEXUVBK-UHFFFAOYSA-N 442.438 4.306 5 20 IIBD COc1ccccc1NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727284315 WVFSEZPLBSAFES-UHFFFAOYSA-N 440.447 4.141 5 20 IIBD O=C(NCCCCCc1ccccc1)c1cc([N+](=O)[O-])ccc1I 727669789 QUHXORZGOGQGNN-UHFFFAOYSA-N 438.265 4.342 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])c(F)c1)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 728154716 OGJDIBPAVBATQG-ZJUUUORDSA-N 429.231 4.463 5 20 IIBD O=C(COC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ccccc1C(=O)c1ccccc1 730643219 OKLHPCGYRVAXNF-UHFFFAOYSA-N 438.823 4.275 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1C 730688767 LIZIBBUIGKEMOF-LSDHHAIUSA-N 443.308 4.127 5 20 IIBD CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)c1 732536815 ICNOALBCVIDFQQ-UHFFFAOYSA-N 449.485 4.212 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)CC2CC2)cc1Br 734501304 SOJKQMBZHYCBSK-UHFFFAOYSA-N 443.294 4.097 5 20 IIBD COCCOC1CCN([C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)CC1 735077663 DJUMABNTJSYUML-OAQYLSRUSA-N 447.919 4.055 5 20 IIBD C[C@@H](OC(=O)[C@H]1CCCN(Cc2ccccc2)C1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 735939682 ROWAHQBKXYXTJC-APWZRJJASA-N 436.468 4.161 5 20 IIBD CN(C[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C 742580261 CHBFFYCJIXSOHX-ZDUSSCGKSA-N 445.438 4.333 5 20 IIBD O=[N+]([O-])c1ccc2cnn(CN(C[C@@H]3CCN(Cc4ccccc4)C3)CC(F)(F)F)c2c1 743406824 ITALESSXVIQWRE-GOSISDBHSA-N 447.461 4.288 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)CSc1ccc(F)c(F)c1 744001438 JYGNXZKKZHSSKF-UHFFFAOYSA-N 448.451 4.452 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N2CC[C@H](CC(C)C)C2)cc1 744639781 GXGORSAKISWXTH-QGZVFWFLSA-N 446.525 4.179 5 20 IIBD C[C@@H](OC(=O)CCOc1ccccc1[N+](=O)[O-])c1nc(Cc2ccc(Cl)cc2)no1 744818653 ZIRMPJSSIDDMPJ-CYBMUJFWSA-N 431.832 4.295 5 20 IIBD CC/C(=C/C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccc(C)cc1 745124760 FSHGQYUHIALMRS-WJDWOHSUSA-N 440.452 4.040 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)Cc2cccc([N+](=O)[O-])c2)c2ccccc2)c([N+](=O)[O-])c1 745334068 BZYCHVJUAFKVHD-JOCHJYFZSA-N 449.419 4.277 5 20 IIBD C[C@@H](OC(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 745456998 BQESDSAUCVZIQK-CZUORRHYSA-N 446.460 4.039 5 20 IIBD O=C(NC[C@@H](O)c1ccccc1F)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 746713971 WJNJXVCBKHRUJS-OAQYLSRUSA-N 443.862 4.463 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1sccc1C(=O)NC1CC1 746783269 YCGQNSRKRMLYGW-UHFFFAOYSA-N 442.419 4.008 5 20 IIBD C[C@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)NC[C@H](C)c1ccccc1 747956678 JTFMWJHDVBRFML-GJZGRUSLSA-N 439.493 4.184 5 20 IIBD O=[N+]([O-])c1cccc([C@@H](O)CSc2nnc(-c3cccs3)n2Cc2ccco2)c1 749688823 RHMOMVDOYCYPQL-INIZCTEOSA-N 428.495 4.382 5 20 IIBD Cc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1N1CCSCC1 749820318 IOOTYGHJJWZGGQ-UHFFFAOYSA-N 426.542 4.309 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CSCC(=O)N(C)Cc1ccc(OC(F)F)cc1 750949173 IVPUGMFRYCHCDK-UHFFFAOYSA-N 426.441 4.097 5 20 IIBD O=C(NCCc1cc(Br)ccc1F)c1cc([N+](=O)[O-])ccc1Br 751111787 XWVFWNYJHMUJCD-UHFFFAOYSA-N 446.070 4.231 5 20 IIBD O=C(OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1ccc2ccc(Cl)cc2n1 752177685 CHNMHGNCAMLPLV-INIZCTEOSA-N 439.855 4.258 5 20 IIBD O=C(Nc1ccc(OC(=O)c2scnc2Br)cc1)c1cccc([N+](=O)[O-])c1 754009330 BIQGSYYEBYXOGD-UHFFFAOYSA-N 448.254 4.285 5 20 IIBD O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1cc(F)cc([N+](=O)[O-])c1Br 754991243 ZZKLOZMZDNKSFH-HNNXBMFYSA-N 449.236 4.477 5 20 IIBD Cn1ccnc1[C@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 755024359 NJPBGRVKGIMQOW-MRXNPFEDSA-N 430.262 4.002 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NC[C@@H]2CSCCS2)cc1[N+](=O)[O-] 755498502 KWLYMXFIXZSMTA-CQSZACIVSA-N 448.591 4.126 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)Oc1ccc(C(=O)N2CCc3sccc3C2)cc1 755780354 RJEFPNWADZZSFT-UHFFFAOYSA-N 438.461 4.083 5 20 IIBD C[C@@H](OC(=O)CCSc1ccccn1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 756743002 YCODLTOLRWZFPM-LLVKDONJSA-N 443.403 4.061 5 20 IIBD Cc1ccc(-c2noc(CCCOC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)n2)cc1F 758739780 NKCCZLPRGBGJQR-UHFFFAOYSA-N 438.415 4.292 5 20 IIBD COc1ccc(-c2ncc(C(=O)O[C@@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)s2)cc1 759945363 HPDDFXNJWPDQPA-HZPDHXFCSA-N 428.470 4.264 5 20 IIBD CC[C@@H](C)n1ncc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1C1CC1 760625186 GKHAUKKJIPETRD-NEPJUHHUSA-N 434.880 4.477 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccccc1)c1ccccc1)c1cc([N+](=O)[O-])c2nsnc2c1 762976272 PYLJBCDHIJEUGZ-IBGZPJMESA-N 434.433 4.136 5 20 IIBD Cc1csc2nc(COC(=O)c3cc([N+](=O)[O-])ccc3SC3CCCC3)cc(=O)n12 763797981 UYUVNYSLDWPEBP-UHFFFAOYSA-N 445.522 4.364 5 20 IIBD CC(C)c1ccc(C[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)C2)cc1 763821113 RRZNZBSFKJZRJF-FQEVSTJZSA-N 437.540 4.260 5 20 IIBD Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c(Cl)c1 763852510 DNZLHIXYHCHNTD-AWEZNQCLSA-N 442.859 4.235 5 20 IIBD O=C(OCc1ccc(OCc2ccncc2)cc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 763871934 ZAKQSNVLOUNPKC-UHFFFAOYSA-N 430.420 4.112 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC(=O)c1cnc(N2CCCCC2)s1 765529008 VKNZPEUTLGCSOB-MRXNPFEDSA-N 431.514 4.036 5 20 IIBD C[C@@](O)(CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1cccc(Cl)c1 765792583 KBGHOBUXNZIHNM-MRXNPFEDSA-N 448.100 4.302 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Oc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 767596831 MKFMCIOBVXBRTB-AWEZNQCLSA-N 436.486 4.257 5 20 IIBD COc1c([N+](=O)[O-])cc(N[C@@H]2CCOC3(CCCC3)C2)c([N+](=O)[O-])c1Br 767819833 PBGRZGDYCMBJKI-SNVBAGLBSA-N 430.255 4.178 5 20 IIBD CC(C)CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[C@@H](O)c1ccc(F)cc1 769447566 YEFZTEKCQWKSED-JOCHJYFZSA-N 426.492 4.326 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1OC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1 769665285 QWFZXJBGTMREKA-UHFFFAOYSA-N 440.437 4.094 5 20 IIBD COC(=O)c1cc(COC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)on1 771017815 BDOLLAZAEHMVKG-UHFFFAOYSA-N 432.772 4.172 5 20 IIBD O=C(Cc1noc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1)Nc1cc(Cl)cc(Cl)c1 771057679 KUVURZWNCDHPCC-UHFFFAOYSA-N 438.183 4.041 5 20 IIBD COCCCOc1ccc(Cl)cc1S(=O)(=O)Oc1c(Cl)cccc1[N+](=O)[O-] 772844065 INPUVRXJCQYBGZ-UHFFFAOYSA-N 436.269 4.085 5 20 IIBD C[C@H](OC(=O)c1sc(Br)cc1[N+](=O)[O-])c1nc(Cc2ccccc2)no1 773603599 GEBMSGDBXXETEX-VIFPVBQESA-N 438.259 4.311 5 20 IIBD O=C(c1cc([N+](=O)[O-])c2nsnc2c1)N1CCCCC[C@@H]1C[C@H](O)c1ccccc1 778367813 IORFCWNGAVZLGP-APWZRJJASA-N 426.498 4.108 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)c1coc(-c2ccccc2Cl)n1 778815105 REXVGIIANCSAQN-CYBMUJFWSA-N 431.807 4.478 5 20 IIBD Cc1cc(F)c(C(=O)COc2cc([N+](=O)[O-])ccc2I)cc1F 780354885 YIDONALQRAOWTA-UHFFFAOYSA-N 433.148 4.048 5 20 IIBD Cn1cc(CN2C[C@H](CCN3CCCC3=O)c3ccccc32)c(-c2ccc([N+](=O)[O-])cc2)n1 780779158 PVJSFGIFVRFTCN-IBGZPJMESA-N 445.523 4.112 5 20 IIBD Cc1ccc(NC(=O)COC(=O)c2cccc([N+](=O)[O-])c2Br)cc1Cl 781673581 SXDCRFUNTXEAOG-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD COc1ccc([C@H](C)NCCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1Br 782532673 YXLIRPDMMGIIBK-NSHDSACASA-N 440.269 4.184 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 782837593 NSQQRLPZJCBRTD-UHFFFAOYSA-N 426.473 4.476 5 20 IIBD CCS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2ccc([N+](=O)[O-])c(F)c2)c1Cl 783622052 AWIFJSFHASRSSH-UHFFFAOYSA-N 436.244 4.191 5 20 IIBD CCCOc1ccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2Br)cc1 784132256 VBMAKXMCAXWFOJ-UHFFFAOYSA-N 436.262 4.032 5 20 IIBD O=C(CN1CCC(COc2ccc(Cl)nc2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] 789309774 FZNWTQUOBYJVCA-UHFFFAOYSA-N 439.299 4.026 5 20 IIBD CO[C@H]1CCOc2c(NC(=O)c3cc(F)cc([N+](=O)[O-])c3Br)cccc21 791186036 ISWBTFBVWOWKKF-AWEZNQCLSA-N 425.210 4.219 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1(c2cc(F)cc(C(F)(F)F)c2)CC1 792161954 ZQUSLOLZXZVRCU-UHFFFAOYSA-N 428.294 4.436 5 20 IIBD O=C(COc1cc(F)c([N+](=O)[O-])cc1Cl)N1N=C(c2ccco2)C[C@H]1c1ccco1 795257200 SINXBEKBPCGSJV-HNNXBMFYSA-N 433.779 4.330 5 20 IIBD CC(C)(C)OC(=O)NC[C@]1(C)CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 801029569 FRLQPZMMDVQQRS-NRFANRHFSA-N 446.529 4.095 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])cc(C)c2F)c(Br)c1 803460829 OHTZFSOGEIXWQY-LLVKDONJSA-N 439.237 4.297 5 20 IIBD CC(C)(C)OC(=O)N1CCC(n2cc(Nc3c([N+](=O)[O-])cccc3[N+](=O)[O-])cn2)CC1 804613112 MOXLHFJCLQKWFZ-UHFFFAOYSA-N 432.437 4.015 5 20 IIBD Cc1ccc(CS(=O)(=O)NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cc1 809067187 KYDIDFRCXOBBCJ-UHFFFAOYSA-N 434.539 4.198 5 20 IIBD O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc(C(F)(F)F)s2)ccc1Br 812270587 KFLQNINYXDBVRE-UHFFFAOYSA-N 431.211 4.238 5 20 IIBD O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CC(c2c(F)cccc2F)=NO1 813306300 XQKGVVZLKUWSCH-KRWDZBQOSA-N 445.403 4.233 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 813798007 YMCVQESDTOWALH-SFHVURJKSA-N 446.548 4.101 5 20 IIBD O=C(O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])C1CCC(OC[C@@H]2CCCO2)CC1 816005310 HXRIDOLMAHHYOR-BJGMRSMMSA-N 440.496 4.377 5 20 IIBD Cc1cc(F)cc(C(=O)Nc2cccc(NS(=O)(=O)Cc3ccccc3)c2)c1[N+](=O)[O-] 817029716 MNWDDOMBQCQOBU-UHFFFAOYSA-N 443.456 4.237 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 915249568 JMPNVBRRDQIGLF-IYBDPMFKSA-N 442.468 4.342 5 20 IIBD COc1cc(C2SCCS2)ccc1OC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 915281636 QNPWVJMMJXNCTN-UHFFFAOYSA-N 431.495 4.037 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])OCc1csc(COc2ccc(Cl)cc2)n1 915866001 PWELATKPGVBHLA-UHFFFAOYSA-N 434.857 4.406 5 20 IIBD O=C(c1cccc(Cl)c1Cl)N1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 916024356 NZYINEMVMFORHP-UHFFFAOYSA-N 439.324 4.056 5 20 IIBD CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2ccc(C(F)(F)F)cc2)NC(=S)N1 916192123 VWLRLOAAWDLYKO-INIZCTEOSA-N 436.415 4.045 5 20 IIBD Cc1c(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 916565155 DVITZPSBRZVFLZ-UHFFFAOYSA-N 427.413 4.125 5 20 IIBD O=C1/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)NC(=S)N1c1ccccc1Cl 917096423 PETXZPBFICIADE-KPKJPENVSA-N 438.690 4.273 5 20 IIBD CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 917836752 UARJBMQYZPVJCY-UHFFFAOYSA-N 438.311 4.401 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cc(Cl)ccc2Cl)cc1Br 917845748 AIIPYJRAVBIJBS-UHFFFAOYSA-N 427.059 4.432 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)c1nnnn1-c1ccccc1 919193671 ZSLYFCCYDYYVME-HNNXBMFYSA-N 431.408 4.281 5 20 IIBD CCc1nc(CC(=O)O[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)cs1 920618176 VVOKNXQTBTUVCW-NRFANRHFSA-N 439.493 4.388 5 20 IIBD COc1cc(CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc(Cl)c1OC 1123269559 ZPFNWRVNTXXALO-UHFFFAOYSA-N 444.669 4.350 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N(Cc1ccccc1)c1ccc(C)cc1 1320941250 WFXUOHIKRGZSAY-UHFFFAOYSA-N 440.477 4.085 5 20 IIBD Cn1cc(C(=O)N2CCC(Nc3ccccc3Cl)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 1321140171 SRBKCNNOOPRVQP-UHFFFAOYSA-N 439.903 4.365 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 1322778055 DIWOBKABHBWSEM-RBZFPXEDSA-N 442.903 4.023 5 20 IIBD COCCc1noc(-c2cc(Cl)ccc2NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)n1 1323666661 BTMXHRBWCXEEND-UHFFFAOYSA-N 443.847 4.035 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H]1c1nnc(COc2ccc(Cl)cc2)o1 1341311072 NJXLCKJGUBVYAJ-ZDUSSCGKSA-N 434.861 4.249 5 20 IIBD Nc1c(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)cc(Br)cc1[N+](=O)[O-] 1341727953 DSJHMRNRPXXCQC-USXIJHARSA-N 430.302 4.348 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)C34CC(C3)C4)CCC2)cc1 1786601486 SGAYWWHPJTXNIV-UHFFFAOYSA-N 433.508 4.462 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)NC1(c2ccc(NC(=O)[C@]3(C)C[C@@H]3C)cc2)CCC1 1790424463 IZLDRDSLMVDXIH-NPMXOYFQSA-N 437.496 4.403 5 20 IIBD CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C2)c1ccccc1 1795453564 WUIVGDZSRYQBAS-JTOYRKQZSA-N 449.551 4.359 5 20 IIBD Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccco2)C3)cc(Cl)cc1[N+](=O)[O-] 1800712456 FMKISISQKYIPOR-FBNKVDMNSA-N 443.887 4.115 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1[N+](=O)[O-])c1cc2ccccc2o1 1804344479 JNJPGLKIGVZRTL-JLYJBUFASA-N 445.475 4.306 5 20 IIBD Cc1cccc(C)c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc([N+](=O)[O-])o2)n[nH]1 1814312156 XSXLVZAXKAQSNJ-INIZCTEOSA-N 437.456 4.147 5 20 IIBD Cc1ccccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1823679611 MSXBJNFZCAUCQJ-DEOSSOPVSA-N 449.551 4.379 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1824342250 FUNTVZYUEMMQPS-HOUBKHITSA-N 431.533 4.257 5 20 IIBD CC(C)/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1832512511 GYDFYOQJGMTCOX-SQUSKLHYSA-N 431.508 4.179 5 20 IIBD CC(C)n1ncc2c(C(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCCO4)cc(C3CC3)nc21 10965469 SKFPMGZSUXWNHL-UHFFFAOYSA-N 437.456 4.211 5 20 IIBD O=C(c1ccccc1)c1ccc(Sc2nnc(NC[C@@H]3CCCO3)s2)c([N+](=O)[O-])c1 15140941 ASAYRXVYIXZIMQ-HNNXBMFYSA-N 442.522 4.419 5 20 IIBD CCN(Cc1cccs1)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 18154841 YUKFEEAGKIPICS-UHFFFAOYSA-N 445.522 4.119 5 20 IIBD Cc1nc(-c2cccs2)c(CC(=O)O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])s1 22104278 VKYQJYRXJVLBEZ-LLVKDONJSA-N 431.495 4.201 5 20 IIBD O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 22402757 SHUIQBUBKDKCJA-NRFANRHFSA-N 426.517 4.135 5 20 IIBD CC(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)s1 25267548 YDCSPNSCWOIOOC-SECBINFHSA-N 430.360 4.062 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 26877675 WDLFJJSBZVFTCJ-NXEZZACHSA-N 434.358 4.091 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)NCc2cc3ccccc3[nH]2)cc1[N+](=O)[O-] 58902443 FHYCAKJMZRYDBC-UHFFFAOYSA-N 442.475 4.303 5 20 IIBD O=C(NCCc1cccs1)C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 63252546 YOMTZVZZUXYDAK-UHFFFAOYSA-N 443.550 4.082 5 20 IIBD CC(C)OC(=O)Cc1nc(CSc2nc3cc4ccccc4cc3c(=O)n2C)cs1 63561737 KPFUDKNZFVOHCS-UHFFFAOYSA-N 439.562 4.330 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NCCc2ccc(Br)s2)c([N+](=O)[O-])c1 64113200 HMRTVDVBTMSGEP-UHFFFAOYSA-N 435.303 4.038 5 20 IIBD Cc1nc2ccccc2n1CCNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 64748794 VNIOOEJMPLLXEU-MRXNPFEDSA-N 444.495 4.251 5 20 IIBD CCN1C[C@@H](CN(C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)Oc2ccccc21 65087253 IUZRWTAAKJTKEJ-QGZVFWFLSA-N 438.509 4.078 5 20 IIBD Cc1sc2ncnc(N3CCC(C(=O)N[C@@H](C)c4cccc([N+](=O)[O-])c4)CC3)c2c1C 108290786 FRIHSFBXNWLEND-AWEZNQCLSA-N 439.541 4.310 5 20 IIBD COc1cccc([C@H](CNc2c([N+](=O)[O-])c(C)nn2C)c2c[nH]c3ccccc23)c1OC 111219914 HFLXZHXVEZFONG-SFHVURJKSA-N 435.484 4.379 5 20 IIBD COc1ccc(-c2ccc(CNC[C@@H](c3cccs3)N3CCOCC3)o2)c([N+](=O)[O-])c1 237416768 PHBBRCHHRDPZMA-FQEVSTJZSA-N 443.525 4.088 5 20 IIBD COc1ccccc1-c1nnc(Sc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)n1C 301082837 FPIIZUTXEQAKCQ-UHFFFAOYSA-N 434.481 4.316 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1 301324787 AEWJZQZDSNKVAT-UHFFFAOYSA-N 445.504 4.229 5 20 IIBD Cc1cc(N2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)c(Cl)cc1[N+](=O)[O-] 301435465 JIDSXPCAPUNZMD-CYBMUJFWSA-N 443.887 4.375 5 20 IIBD C[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)[C@@H](OC1CCOCC1)c1ccccc1 301783701 OPGUTGSSSHWYSH-FZKQIMNGSA-N 436.306 4.490 5 20 IIBD Cc1noc(C)c1[C@H](C)CNc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 301809104 WTOMFMSIJZGRQS-CYBMUJFWSA-N 430.486 4.216 5 20 IIBD COc1cc(C(=O)Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)c([N+](=O)[O-])cc1OC 409976072 ANTBIOQECRTJLM-CQSZACIVSA-N 425.441 4.159 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCOC 426310105 JQHGEYOWLXSODO-UHFFFAOYSA-N 443.525 4.275 5 20 IIBD Cc1cccc(C2(CNC(=O)c3ccc(N4C(=O)CCC4=O)c([N+](=O)[O-])c3)CCCCC2)c1 431739531 LUQNGHLVDPCCHO-UHFFFAOYSA-N 449.507 4.189 5 20 IIBD CCOC(=O)CN(C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)C1CCCC1 434047390 IXAPSJALBFATHR-MRXNPFEDSA-N 440.500 4.111 5 20 IIBD CN(c1ccccc1NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C1CCCC1 437037354 IYDDHJHSEMMOPH-UHFFFAOYSA-N 436.512 4.103 5 20 IIBD Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444862159 RJPBFQLWBRMKBJ-UHFFFAOYSA-N 444.451 4.354 5 20 IIBD CCCCc1ccc(NC(=O)Cc2noc(-c3ccn(-c4ccccc4[N+](=O)[O-])n3)n2)cc1 445315876 YDVACBJQKRGSIC-UHFFFAOYSA-N 446.467 4.354 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCC(CO)(Cc2ccccc2)CC1 447692054 YGJMENLZKANNLA-UHFFFAOYSA-N 445.388 4.466 5 20 IIBD C[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC2(CCOCC2)O1 447973310 BPCGHICNWVTYFL-MRXNPFEDSA-N 427.457 4.189 5 20 IIBD Cc1c(C(=O)N2CCN([C@H](C)c3ccc(Br)cc3)CC2)cccc1[N+](=O)[O-] 460593940 CQJWEXXLUOKUBR-OAHLLOKOSA-N 432.318 4.185 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@H](c1ccccc1)N1CCCC1 462485761 ZADVUGRHPPVCBE-QGZVFWFLSA-N 444.340 4.017 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@@H](COCc2ccccc2)C1 462713485 DDHLUWRIROBGOE-CQSZACIVSA-N 445.324 4.129 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccccc1OC)N1CCCC1 462747551 ZJWYMRMQWRTVFJ-KNQAVFIVSA-N 425.529 4.125 5 20 IIBD O=C(NCc1nc(-c2cccc(Cl)c2)no1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 463718801 ONIPECQCUOYROO-UHFFFAOYSA-N 426.738 4.247 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC1(c2cccc(Br)c2)CCC1 464038377 AKZMRPKYEZBHMN-UHFFFAOYSA-N 446.301 4.108 5 20 IIBD CCOC(=O)[C@H](Cc1ccccc1Cl)NC(=O)c1cc([N+](=O)[O-])ccc1SCC 464456218 QHBGVWNCKBOMEU-KRWDZBQOSA-N 436.917 4.264 5 20 IIBD COc1cc(CN2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)c([N+](=O)[O-])cc1F 464679448 SRIGJCFEZLQIHE-UHFFFAOYSA-N 441.503 4.146 5 20 IIBD CCc1noc(C)c1CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(F)c(F)c1 466311947 VAPAPVMUUQLZOR-UHFFFAOYSA-N 437.424 4.127 5 20 IIBD Cc1ccc(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c(OC[C@H]2CCCO2)c1 466602545 XERVSPIQBKUCMZ-HXUWFJFHSA-N 427.501 4.196 5 20 IIBD COc1cc(C(=O)N2CCC(c3cccc(Br)c3)CC2)c([N+](=O)[O-])cc1OC 466800838 KVMKZVONSONVJJ-UHFFFAOYSA-N 449.301 4.394 5 20 IIBD Cc1sc(S(=O)(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc1[N+](=O)[O-] 466973959 IERMIGBUDHMXAH-UHFFFAOYSA-N 432.483 4.410 5 20 IIBD Cc1c([C@H](C)NCCc2ccccc2[N+](=O)[O-])nnn1-c1cccc(Br)c1 467978564 IXNQVKLXFSFEIL-ZDUSSCGKSA-N 430.306 4.140 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])cc(Br)c1F 469994423 XLANBJJBGACEKM-UHFFFAOYSA-N 443.250 4.257 5 20 IIBD Cc1c(NC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cccc1C(F)(F)F 471848581 QSDZOCQWOUDAGY-UHFFFAOYSA-N 432.358 4.029 5 20 IIBD CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)[C@@H]1c1ccc(OC)cc1 475292090 DBNYPXGMUIBQTD-GCJKJVERSA-N 440.500 4.025 5 20 IIBD Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)Nc1ccc([N+](=O)[O-])cc1 477153310 USXGSVUSYYJERM-UHFFFAOYSA-N 429.274 4.471 5 20 IIBD COc1cc(C(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc([N+](=O)[O-])c1C 479074896 CPIKFJDMDGDNFD-OAHLLOKOSA-N 434.452 4.050 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(CCN3CCSCC3)cc2)cc1SC 483530926 WRLDJSJLOCZKMC-UHFFFAOYSA-N 447.582 4.169 5 20 IIBD CC[C@H](NC(=O)C(=O)Nc1cc2sc(C)nc2cc1Cl)c1cccc([N+](=O)[O-])c1 484010076 GZOMVKKSDMGXER-AWEZNQCLSA-N 432.889 4.372 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 484554132 SVJGZHBENTUCIS-UHFFFAOYSA-N 439.419 4.275 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CSc1nc2ccccc2c(=O)n1CCCOC(C)C 485360796 RINKXKBCOYTBGE-UHFFFAOYSA-N 443.525 4.421 5 20 IIBD Cc1n[nH]cc1CCCNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 486161714 CXLDLWDXMXHFOH-UHFFFAOYSA-N 427.892 4.254 5 20 IIBD Cc1ccccc1-c1ccc(CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C(C)C)s1 486291905 NBEHSUNDUQYMPF-UHFFFAOYSA-N 425.510 4.231 5 20 IIBD O=C(NCCCN1CCc2ccccc2C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 486370714 DMCYKLPAXGYVMU-UHFFFAOYSA-N 445.519 4.352 5 20 IIBD O=C(NC[C@@H](Cc1cccc2ccccc12)C(=O)O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 486409347 PZSCZXBZBOQWMK-HXUWFJFHSA-N 447.491 4.022 5 20 IIBD COc1ccc(Cl)cc1N1CC[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 488613630 NYBPAJDRHLTTSM-HNNXBMFYSA-N 432.908 4.070 5 20 IIBD C[C@@H](c1cccc(Cl)c1)N(C)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 488888143 FPHUKIXHGGWQNU-JTQLQIEISA-N 433.711 4.392 5 20 IIBD CC(C)(NC(=O)NCc1cccc(COCC(F)(F)F)c1)c1ccccc1[N+](=O)[O-] 489745574 ZLBZOXNIUAFHOJ-UHFFFAOYSA-N 425.407 4.408 5 20 IIBD COc1cc(CN(C)[C@H](C)c2ccc([S@@](C)=O)cc2)c([N+](=O)[O-])cc1OCC(F)F 490428291 CUDLATRDLBGMPQ-BRRNQIAESA-N 442.484 4.178 5 20 IIBD Cc1c(NC(=O)[C@H](C)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)cccc1[N+](=O)[O-] 490828723 YAPKCVNCVQHBSJ-LSDHHAIUSA-N 433.892 4.411 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 490991353 UCCRKPOEWXTYHP-HNNXBMFYSA-N 437.525 4.136 5 20 IIBD CC(C)Oc1cc(F)ccc1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 493407754 BETXHQNRUWOXAU-UHFFFAOYSA-N 431.449 4.053 5 20 IIBD C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 494427183 FAFHNMNIKCACNI-RDTXWAMCSA-N 436.434 4.248 5 20 IIBD CC(=O)N(c1nc(Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)cs1)c1ccc(C)cc1C 498030699 WWBJFLUSWWBUCW-UHFFFAOYSA-N 449.492 4.111 5 20 IIBD O=C(c1cc(F)ccc1F)C1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 500252968 LLSJJINURANGJA-UHFFFAOYSA-N 426.217 4.130 5 20 IIBD CCC[C@H]1CCc2nc(NC(=O)c3cc(OC)c(OCCOC)cc3[N+](=O)[O-])sc2C1 500328386 LKOKHTWLTMHAPS-ZDUSSCGKSA-N 449.529 4.242 5 20 IIBD Cc1c(NC(=O)CCNC(C)(C)COc2ncccc2C(F)(F)F)cccc1[N+](=O)[O-] 502331010 GMMPIYXBPJYTRW-UHFFFAOYSA-N 440.422 4.093 5 20 IIBD CCC[C@H]1C[C@@H](C(=O)N(CCOC)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CCO1 502568011 GQDZJTCKRPQPSO-WMZOPIPTSA-N 433.530 4.293 5 20 IIBD Cc1ccc(NC(=O)Cc2nc(Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)cs2)cc1 504538548 LBJOKDVOHYFTHI-UHFFFAOYSA-N 433.493 4.453 5 20 IIBD O=C(Nc1cccc(C(=O)N2CCSCC2)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 507111628 QFKLFLJOAHBECV-UHFFFAOYSA-N 439.415 4.055 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1 507759852 RHVQNTOQCJJAHS-UHFFFAOYSA-N 432.480 4.231 5 20 IIBD COc1cc(C(=O)N2CCc3c(Br)cccc3[C@H]2C)cc([N+](=O)[O-])c1OC 509939027 LQURUKZUXGWFQZ-LLVKDONJSA-N 435.274 4.134 5 20 IIBD C[C@H](NC1CCC(NC(=O)COc2ccc(Cl)cc2)CC1)c1cccc([N+](=O)[O-])c1 510013981 LOKGGDUVYUTHGK-MNNVXMFVSA-N 431.920 4.405 5 20 IIBD CC(C)C(=O)N1CCCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 510464111 YIPVRXPSOXCXNT-UHFFFAOYSA-N 447.539 4.138 5 20 IIBD C[C@](CO)(NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(Br)cc1 511597290 VCTDNQVFZHCKFJ-HXUWFJFHSA-N 446.301 4.052 5 20 IIBD CCN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] 519967503 DJDAPRUDKOUOMU-UHFFFAOYSA-N 426.494 4.404 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc([C@@H](C)N2CCOCC2)cc1 522236635 VUHDIACQUARDCG-HUUCEWRRSA-N 433.892 4.047 5 20 IIBD CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 522592708 KYDDMGJJRLRVKZ-UHFFFAOYSA-N 443.479 4.192 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N[C@@H](C)Cc2c(C)noc2C)c([N+](=O)[O-])c1 523087055 KGDUCNFLHFKPFE-ZDUSSCGKSA-N 437.452 4.260 5 20 IIBD Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)NCc1cccc([N+](=O)[O-])c1 530633249 JXOKFWPYTFQWPG-UHFFFAOYSA-N 443.301 4.149 5 20 IIBD O=C(NCCc1nc2cc(Cl)ccc2s1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 531035571 IJTYDNLABUYUSZ-UHFFFAOYSA-N 444.944 4.433 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCCCCc1nc(-c2cccnc2)cs1 533898078 XBDPZVFBFLHEIF-UHFFFAOYSA-N 435.509 4.276 5 20 IIBD O=c1ccc([N+](=O)[O-])cn1CCSc1nnc(Cc2ccccc2)n1C1CCCCC1 534199183 CDLGIUYPEPTIAW-UHFFFAOYSA-N 439.541 4.236 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCC1CCN(Cc2ccccc2Cl)CC1 536185001 JGXNSKZXZBUITE-UHFFFAOYSA-N 440.931 4.300 5 20 IIBD Cc1cn2c(CN(C)C(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])c(C)nc2s1 536621063 BAGZBZFFPSHUJF-UHFFFAOYSA-N 442.419 4.134 5 20 IIBD COc1ccc(NC(=O)CN[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)c([N+](=O)[O-])c1 537029340 QOLSXDGWIMWWGC-MRXNPFEDSA-N 448.479 4.145 5 20 IIBD COCCn1ccc2ccc(NC(=O)CSCc3ccc(OC)c([N+](=O)[O-])c3)cc21 538865343 BLXYKEJXDNPGMY-UHFFFAOYSA-N 429.498 4.076 5 20 IIBD COc1ccc(-c2ccc(CN3CCC[C@H](CNC(=O)C(C)(C)C)C3)o2)c([N+](=O)[O-])c1 539833094 IXRPYPZLFDQOQS-MRXNPFEDSA-N 429.517 4.238 5 20 IIBD CCNC(=O)N1CCc2ccc(NC(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])cc21 540532317 ORPARRVICVOART-UHFFFAOYSA-N 431.452 4.001 5 20 IIBD COc1cc(C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)c([N+](=O)[O-])cc1OC 541231244 RRPGYZUOYYOTKL-UHFFFAOYSA-N 436.346 4.069 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H](CO)c1ccc(C(F)(F)F)cc1 541455449 HQJAMJLINKDFGX-ZDUSSCGKSA-N 434.823 4.209 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccc(=O)n(Cc2ccccc2Cl)c1 542216311 MAVYBQIUJPFSRT-UHFFFAOYSA-N 429.885 4.189 5 20 IIBD Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)C2)cc1 542603667 LIMRPLAWPSGCRN-SJORKVTESA-N 442.491 4.206 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(Cc3noc([C@H]4COc5ccc(Br)cc54)n3)c2c1 545073731 MIUMPOQVJSWPIZ-HNNXBMFYSA-N 441.241 4.337 5 20 IIBD O=C1CCCN1Cc1ccc(-c2noc(-c3ccc([N+](=O)[O-])cc3Br)n2)cc1 545729282 FULGQMDXTWPKTF-UHFFFAOYSA-N 443.257 4.197 5 20 IIBD Nc1ccc(-c2noc(C3CCN(c4ccc(C(F)(F)F)cn4)CC3)n2)cc1[N+](=O)[O-] 546258632 XGXZPPHCBRNKAZ-UHFFFAOYSA-N 434.378 4.025 5 20 IIBD CNc1ccc(C(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)cc1[N+](=O)[O-] 548725175 XSOZRNQVHSGYMI-INIZCTEOSA-N 433.306 4.116 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CC[C@H](c4cccc(F)c4)C3)n2C[C@H]2CCOC2)c1 550050220 WHWVTTKMYSWIPN-APWZRJJASA-N 437.475 4.023 5 20 IIBD NC(=O)C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccccc1 550291108 NXHISELZSFXISW-SFHVURJKSA-N 444.285 4.324 5 20 IIBD CC[C@H](CSC)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 552919219 UZKIYLFGHGXLEQ-LLVKDONJSA-N 425.557 4.004 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 553170239 TZVJADZNUYBMGU-NRFANRHFSA-N 433.430 4.352 5 20 IIBD CC(C)[C@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1nncn1C 553172935 NFROLGGBFVUMJB-SFHVURJKSA-N 429.864 4.296 5 20 IIBD COc1ccc(Cl)cc1C1(CNc2ncnc3sc([N+](=O)[O-])cc23)CCOCC1 553333401 SPPBDQZEPYBBKF-UHFFFAOYSA-N 434.905 4.422 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 555011103 VKGRPZGRJZZKBQ-UHFFFAOYSA-N 437.500 4.088 5 20 IIBD COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 555739173 RZRDKHQMBJOTOK-GFCCVEGCSA-N 443.809 4.284 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1nc(CN2CCCCC2)cs1 555794401 WMAAYFNCXHDZOX-UHFFFAOYSA-N 439.335 4.360 5 20 IIBD O=[N+]([O-])c1cc2c(Sc3nnc(-c4ccco4)n3Cc3ccco3)ncnc2s1 557627387 YWLUODSQJZSHBR-UHFFFAOYSA-N 426.439 4.244 5 20 IIBD COc1cc(OC)cc(Oc2cccc(CNC(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])c2)c1 560995625 FXYZQXMJZUDYKZ-UHFFFAOYSA-N 440.456 4.181 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NCc1cccc(-c2ncc[nH]2)c1 566060582 DPGBAABQPQGOBW-UHFFFAOYSA-N 449.492 4.398 5 20 IIBD Cc1ccccc1CN(Cc1ccccc1)C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C 570753255 JIBFWJKHRBEGID-UHFFFAOYSA-N 431.492 4.057 5 20 IIBD COc1ccc(CN(Cc2ccccc2)c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 572516598 CQTIAMJSLQXGNL-UHFFFAOYSA-N 432.523 4.275 5 20 IIBD CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1 573986395 CULJFIIMIYUGGE-NSHDSACASA-N 434.290 4.446 5 20 IIBD COc1ccc(OCc2nc(CN3CCOc4ccc([N+](=O)[O-])cc4C3)cs2)cc1 574798378 IYRDDXJTAYIJRH-UHFFFAOYSA-N 427.482 4.034 5 20 IIBD COc1ccc(CN2CC[C@@H](N3CCCC3)[C@@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 575164048 SKDZYPDJFNLVDT-PGRDOPGGSA-N 425.529 4.241 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 585699637 KLXJTYAJGLXVJN-MRXNPFEDSA-N 432.318 4.012 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O 588998000 NLAYPOPMOVMTCH-UHFFFAOYSA-N 436.468 4.043 5 20 IIBD CCCN1C(=O)c2ccccc2N[C@@H]1c1cc(I)cc([N+](=O)[O-])c1 602761680 SJHMEAZKXTXGLL-INIZCTEOSA-N 437.237 4.176 5 20 IIBD O=C(NCc1cccc(CN2CCCC2=O)c1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 603613276 WPOBWSMKHXIFOL-UHFFFAOYSA-N 444.491 4.391 5 20 IIBD Cc1ccc(NC(=O)C(=O)N2CCC(Oc3ccc(C(C)C)cc3)CC2)cc1[N+](=O)[O-] 604145067 DENYSSVWOWSCAR-UHFFFAOYSA-N 425.485 4.035 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1 608866761 MLMKCOAQRFYGMG-UHFFFAOYSA-N 426.454 4.348 5 20 IIBD Cc1cc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)n(-c2ccccc2C(F)(F)F)n1 608963503 SFHHATPKWOWNTB-UHFFFAOYSA-N 430.346 4.236 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC[C@H]3CN3CCCCC3)cc2[N+](=O)[O-])C1 609024000 KJWWJIDRPCBWTC-SBHAEUEKSA-N 428.577 4.168 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C(C)C)cc2)cc1[N+](=O)[O-] 609767552 BCFHOKSCHRCJQW-HXUWFJFHSA-N 445.541 4.355 5 20 IIBD COc1ccc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2Br)c(OC)c1 610037749 VBWZCRCFOZEAID-QGZVFWFLSA-N 435.274 4.352 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1nccnc1-c1nc2ccccc2s1 610070664 UBPIBSHMPLZCNM-UHFFFAOYSA-N 433.493 4.414 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1ccc(F)cc1OCC1CC1 610124240 PYVIXSMUNVWDMP-UHFFFAOYSA-N 445.266 4.086 5 20 IIBD O=C(c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2)N1CC[C@H](CO)C1 611157479 UNWBPBJDAWLNSE-DYGKOUCMSA-N 443.503 4.474 5 20 IIBD COc1cc(NCCNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cc(OC)c1 611215890 WZFIWKDKHDBXKO-UHFFFAOYSA-N 445.541 4.489 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1 613175133 OOQDZLBYVFXGKV-FQEVSTJZSA-N 445.519 4.301 5 20 IIBD COc1ccccc1OCC(=O)Nc1cccc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 617703004 VKZVXTATIXUGOW-INIZCTEOSA-N 449.463 4.363 5 20 IIBD O=C(COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])Nc1ccc2c(c1)OC1(CCCCC1)O2 725936386 YJQQURPZUOXMOK-UHFFFAOYSA-N 448.378 4.100 5 20 IIBD Cc1ccc(NC(=O)NCc2ccc(CCNC(=O)OC(C)(C)C)cc2)cc1[N+](=O)[O-] 726070487 NWCZHGRLVJIUND-UHFFFAOYSA-N 428.489 4.292 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@@H](C)Oc1ccccc1Cc1ccccc1 728352119 YGXPIJBVHLCBKF-GOSISDBHSA-N 448.475 4.443 5 20 IIBD Cc1ncsc1CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 729408499 VUCVCJVYHKMLQS-UHFFFAOYSA-N 430.873 4.195 5 20 IIBD O=C(NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1C[C@H]1c1cccc2ccccc12 730918407 MDOSDXDHUWLVLX-IRXDYDNUSA-N 430.869 4.010 5 20 IIBD O=Cc1ccc(OCC(=O)N[C@H](Cc2cccc(F)c2)c2cccc(F)c2)c([N+](=O)[O-])c1 731622585 MVZLPOHJSQNOFA-HXUWFJFHSA-N 440.402 4.165 5 20 IIBD O=C(Oc1ccc(Oc2ccccn2)cc1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 731966627 PHXPPOZZZYZOCP-MRXNPFEDSA-N 439.449 4.054 5 20 IIBD C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 732010115 OAPYAQHNQCAPFW-ZACQAIPSSA-N 448.564 4.062 5 20 IIBD C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 732136148 ULACOKYZPPRJER-INIZCTEOSA-N 442.516 4.192 5 20 IIBD O=C(Nc1ccc(Oc2ccc(Cl)nn2)cc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 733244131 DJFPQLAYQRTHGL-UHFFFAOYSA-N 436.815 4.269 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](OC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)c1ccccc1 733839541 YIOYCXVVIYNSAT-RGCFKVTRSA-N 430.844 4.039 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccc(CC[C@@H](O)c3ccccc3)cc2)ccc1[N+](=O)[O-] 734415986 IOCUUPDOIWECDD-JOCHJYFZSA-N 426.494 4.370 5 20 IIBD C[C@H](OC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl 735149062 PMAVLUNRHARHPL-NSHDSACASA-N 427.240 4.241 5 20 IIBD Cc1cccc(CS(=O)(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 735495750 CRABVCLWSYWSGA-UHFFFAOYSA-N 426.450 4.064 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)c1 735578402 GIXNGICEQXHBBN-UHFFFAOYSA-N 433.440 4.315 5 20 IIBD O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 735900260 DDSQBVHWAHINAQ-HNNXBMFYSA-N 427.265 4.448 5 20 IIBD O=C(OCc1cn2ccccc2n1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 736863862 NXEYOAAPXICYDF-UHFFFAOYSA-N 432.223 4.092 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccc(OC(F)(F)F)cc1 736876831 SYWWPKIPFWYWSY-SNVBAGLBSA-N 446.765 4.181 5 20 IIBD O=C(O[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 740238786 YESMQKKQBSYOLS-KRWDZBQOSA-N 443.868 4.334 5 20 IIBD COc1ccc(C(=O)OC[C@H]2CCC(=O)N(C)[C@@H]2c2cccc(Cl)c2)cc1[N+](=O)[O-] 740606211 UKQUPBSGSLWRMD-FOIQADDNSA-N 432.860 4.023 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)[C@H](O)CCc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 741007536 VBOHNTZTUWJESW-PKTZIBPZSA-N 448.475 4.120 5 20 IIBD Cc1c(CC(=O)O[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cccc1[N+](=O)[O-] 748473675 FXRPXSKBRWGIOQ-QGZVFWFLSA-N 425.485 4.006 5 20 IIBD C[C@@H](C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1cnn(C)c1 750559409 DUSYJSSMIOFQCP-BFUOFWGJSA-N 442.859 4.008 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@H](C)c1ncc(-c2ccc(Cl)cc2Cl)o1 753352843 GJDPFOVCFIZRBO-SECBINFHSA-N 425.228 4.366 5 20 IIBD CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1C(C)C 753495844 XCIMBWMJUMQPFV-GFCCVEGCSA-N 435.864 4.395 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cnn(C(C)(C)C)c1-c1ccccc1 753641812 OYSHJTITEDPEQD-UHFFFAOYSA-N 436.468 4.317 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2cnn(-c3ccccc3Br)c2)cc1[N+](=O)[O-] 756732585 XOVCASHESOUHOU-UHFFFAOYSA-N 446.217 4.012 5 20 IIBD O=C(Nc1cccc(OC(=O)c2cccc([N+](=O)[O-])c2Br)c1)c1ccco1 758361917 DVJYWFXWEYGZBY-UHFFFAOYSA-N 431.198 4.422 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 758498236 JBVJUHNFFYMMRI-CHWSQXEVSA-N 426.901 4.405 5 20 IIBD C[C@@H](OC(=O)c1cccc(Br)c1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 759146983 BTCAFCUMLZMODU-SECBINFHSA-N 436.193 4.464 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3nc(CCNc4ccccc4[N+](=O)[O-])no3)cs2)cc1 761969806 PZHWCVMNPWLLCL-UHFFFAOYSA-N 438.425 4.331 5 20 IIBD CCn1c(SCC(=O)OCCc2ccccc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 762705763 MFGBYSKMZJFDKV-UHFFFAOYSA-N 446.916 4.405 5 20 IIBD O=C(Nc1ccc(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1)c1ccncc1 765529492 VYHFZNQXUXZSAC-UHFFFAOYSA-N 431.496 4.001 5 20 IIBD CCN(Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1)C(=O)C(F)(F)F 765771060 UOTBLKSNBUDTRG-UHFFFAOYSA-N 446.385 4.306 5 20 IIBD C[C@H](OC(=O)c1coc(C2CCC2)n1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 769624224 BAZWXFBQOBQIPK-NSHDSACASA-N 442.453 4.158 5 20 IIBD O=C(Oc1ccc(NC(=O)c2ccco2)cc1)c1cc(Br)cc([N+](=O)[O-])c1 769946354 RZPGQXNSVLBBLW-UHFFFAOYSA-N 431.198 4.422 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)cc2)C[C@@H](C)O1 770164062 FEEUWEKEPWXWAJ-BETUJISGSA-N 434.290 4.223 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C1(c3ccc(Br)cc3)CCOCC1)CC2 774220122 CGYLEMKBUOPQRL-UHFFFAOYSA-N 445.313 4.303 5 20 IIBD C[C@@H]1C[C@H](C(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)CCC1=O 775466350 BACXGSWRADRKOZ-CHWSQXEVSA-N 430.844 4.411 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 776064255 BXWPBVYHMBROEP-UHFFFAOYSA-N 428.876 4.259 5 20 IIBD CSc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 778888832 YZJVWLAQPXLGEQ-SNVBAGLBSA-N 426.397 4.102 5 20 IIBD CON(Cc1ccccc1)C(=O)c1ccc(C(=O)N(Cc2ccccc2)OC)c([N+](=O)[O-])c1 780780739 CMVFAQCLTVROMU-UHFFFAOYSA-N 449.463 4.002 5 20 IIBD COc1ccc(Cn2ccc(NC(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)n2)cc1 782794662 KIVVOANVQDWQFT-UHFFFAOYSA-N 446.261 4.255 5 20 IIBD O=C(Nc1ccccc1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)OCc1ccccc1 787593807 SVDUJQCFBODLKT-UHFFFAOYSA-N 449.467 4.017 5 20 IIBD O=C(Nc1cnn(-c2ccccc2)c1C(F)(F)F)c1cc([N+](=O)[O-])c2nsnc2c1 790023258 NOYQRGACUZWYMT-UHFFFAOYSA-N 434.359 4.056 5 20 IIBD CCOc1c(Cl)cccc1CC(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 791502010 DCHQMYOROOCIGB-UHFFFAOYSA-N 427.240 4.025 5 20 IIBD Cc1nn(-c2ccccn2)c(Cl)c1/C=C1\N=C(c2ccc(Cl)c([N+](=O)[O-])c2)OC1=O 794687762 GWDFLIXRJHDQTO-ZROIWOOFSA-N 444.234 4.135 5 20 IIBD C[C@H](OC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(Br)cc1 795398803 YKOLFWURNXSYQY-JTQLQIEISA-N 441.665 4.045 5 20 IIBD O=C(CCN[C@H](CCO)c1ccc(Cl)c(Cl)c1)Nc1cc([N+](=O)[O-])ccc1F 796429339 KHBMYVDHAHKCSB-MRXNPFEDSA-N 430.263 4.083 5 20 IIBD CN1C(=O)C[C@H](COC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@@H]1c1cccc(Cl)c1 796910472 IHLHTHIVFGJIQB-QRWLVFNGSA-N 430.888 4.289 5 20 IIBD COc1cccc([C@H]2CCCN2C(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2O)c1 798155778 GWWFHJKEMPKJPO-MRXNPFEDSA-N 442.859 4.125 5 20 IIBD Cc1cc(C)cc([C@@H](O)CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 801536702 PQERBUZGBVSLCT-HXOBKFHXSA-N 434.496 4.243 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 809912309 CBAMDEHPRBTPSX-OAHLLOKOSA-N 427.791 4.455 5 20 IIBD CC(C)(C)OC(=O)N1CC(CC(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 811214784 HQGKFFDKIZPBJU-UHFFFAOYSA-N 433.486 4.019 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1[N+](=O)[O-] 812317225 GFHSMDJTIIIPEU-UHFFFAOYSA-N 435.318 4.268 5 20 IIBD CN([C@@H](c1ccccc1)C(F)(F)F)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] 815009270 CQKNCQWJTYJEJI-AWEZNQCLSA-N 426.775 4.311 5 20 IIBD CC(C)n1c(S)nnc1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 815518899 FITBTNQUUIQUSV-UHFFFAOYSA-N 443.451 4.095 5 20 IIBD CC(C)[C@H](c1ccccc1)S(=O)(=O)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 816110950 MDZUHOQJVHEUGC-MRXNPFEDSA-N 430.404 4.071 5 20 IIBD O=C(OCc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 904220992 KGQDDLUWPPJTOO-LLVKDONJSA-N 427.215 4.137 5 20 IIBD Cc1ccc(NC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] 915301889 REXMPDNZACSTRC-MRXNPFEDSA-N 430.417 4.016 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)OCC(=O)N[C@H](C)c2cccc3ccccc23)c1 915443122 WVLHZZVHZSPEFQ-QGZVFWFLSA-N 436.464 4.246 5 20 IIBD C[C@H]1CCCCN1Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 917696196 LDEJFRXFOLQZOI-SFHVURJKSA-N 438.528 4.058 5 20 IIBD CC(C)(C)n1ncc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1C(F)(F)F 919199923 AUTCAZDBYITXIU-UHFFFAOYSA-N 448.785 4.014 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)CCn1cc([N+](=O)[O-])cn1 919846300 KYGFQOTYXBONSQ-UHFFFAOYSA-N 443.382 4.186 5 20 IIBD C[C@H](OC(=O)COc1ccccc1C(C)(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 921180633 QEQYGEODEMFPKA-ZDUSSCGKSA-N 434.876 4.495 5 20 IIBD Cc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cs1 1115939510 KAABTJZSSDKEKW-UHFFFAOYSA-N 435.914 4.432 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1319482094 JDKUEQZPGIZVTN-ZIAGYGMSSA-N 427.892 4.331 5 20 IIBD Cc1ccc(C)c(OCc2nnc([C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)o2)c1 1326081591 OAOIQQUDWKWEFS-CQSZACIVSA-N 428.470 4.212 5 20 IIBD O=C(CC1(CC(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)CCCC1)N1CCOCC1 1339273511 ZODATCPRJWGYLH-UHFFFAOYSA-N 443.544 4.070 5 20 IIBD COc1ccc(NC(=O)N2CCC([C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1 1346532634 KVZBQLPKGYNXED-SFHVURJKSA-N 448.520 4.247 5 20 IIBD Cc1ncoc1C(=O)NC1(c2ccc(NC(=O)CCc3cccc([N+](=O)[O-])c3)cc2)CCC1 1786602426 PAOCLITXVMZURC-UHFFFAOYSA-N 448.479 4.272 5 20 IIBD Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)Cc4cccc([N+](=O)[O-])c4)CCC3)cc2)n1 1787321179 BCRPBCIDHIIWTH-UHFFFAOYSA-N 444.491 4.289 5 20 IIBD O=C(Cc1ccccc1)NC1(c2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2)CCC1 1790619379 GEOYFHBLVPLKOB-UHFFFAOYSA-N 445.475 4.291 5 20 IIBD C/C=C/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830498091 SDNFGZVZRKMQLN-MESDEOKJSA-N 429.492 4.100 5 20 IIBD O=C([C@@H]1CCC[C@@H]2CCCC[C@@H]21)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)C1 1845314867 NYELZPQLFRZQQX-YTQUADARSA-N 443.519 4.157 5 20 IIBD CC1(C)CCC(CC(=O)N2CC3(CCCN3C(=O)c3cccc(F)c3[N+](=O)[O-])C2)CC1 1845406043 IRJLPFWPQDRQRX-UHFFFAOYSA-N 431.508 4.157 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)OCc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] 3486859 OYPGCDOPNUKKGP-UHFFFAOYSA-N 438.387 4.250 5 20 IIBD CC(C)Oc1ccc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 9534305 QZMLWECGIYWJDG-UHFFFAOYSA-N 426.347 4.196 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 15767348 SUPHVUJTYMYFFZ-UHFFFAOYSA-N 427.810 4.225 5 20 IIBD COc1ccc(C(NC(=O)COc2ccc(C)cc2[N+](=O)[O-])c2ccc(OC)cc2)cc1 17712198 XXNMMQXDNVCGGV-UHFFFAOYSA-N 436.464 4.205 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2sc(-c3ccccc3)nc2C)c([N+](=O)[O-])c1 17828176 KZSZRXQAKBVHSF-UHFFFAOYSA-N 441.465 4.221 5 20 IIBD CCOc1cc(C(=O)N2CCN(Cc3cccc4ccccc34)CC2)c([N+](=O)[O-])cc1OC 18215627 QJPYGMZCZWVHQO-UHFFFAOYSA-N 449.507 4.113 5 20 IIBD CCCn1c(C)c(C(=O)OCC(=O)Nc2c(C)cccc2[N+](=O)[O-])c2cc(OC)ccc21 26977304 QIKGBPDWAVNHLG-UHFFFAOYSA-N 439.468 4.380 5 20 IIBD Cc1cccc(C)c1OC[C@@H](O)COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 27214603 SJXFKTJNBMLJLD-NRFANRHFSA-N 436.464 4.283 5 20 IIBD O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCC(c2nc3ccccc3[nH]2)CC1 27998803 DQKPCSJKMPGOLD-UHFFFAOYSA-N 429.274 4.253 5 20 IIBD O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1Cc1nnc(-c2ccc(Cl)cc2Cl)o1 60825297 WYNSWHCEURMOGP-UHFFFAOYSA-N 444.234 4.224 5 20 IIBD COC(=O)c1sc(-c2ccccc2Cl)cc1NC(=O)CCn1cc([N+](=O)[O-])nc1C 61187262 BHQNAPLMAANSEP-UHFFFAOYSA-N 448.888 4.297 5 20 IIBD CN(Cc1ccc(OC(F)(F)F)cc1)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] 64113227 DUIOWIBLTGTNAD-UHFFFAOYSA-N 434.374 4.094 5 20 IIBD O=C(NCC1(c2ccc(F)cc2)CCOCC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 64934973 AOKLSVDLHSSZMB-UHFFFAOYSA-N 441.484 4.336 5 20 IIBD CCOC(=O)C[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(F)cc1 64943248 TVKIZLQTWDWKDD-QGZVFWFLSA-N 443.456 4.282 5 20 IIBD O=C(Nc1ccc(CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)cc1)c1ccncc1 301113759 KJFHOQWOJAFAAZ-UHFFFAOYSA-N 445.479 4.090 5 20 IIBD O=[N+]([O-])c1cnc(Sc2nnc(CN3CCCCC3)n2-c2ccccc2)c(Cl)c1 301294085 WMSWISZNLMMJGQ-UHFFFAOYSA-N 430.921 4.361 5 20 IIBD O=C1CCCN1CC[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])c2ccccc21 301667605 MRRFFQGULNEUDC-CYBMUJFWSA-N 431.290 4.000 5 20 IIBD CC1CCN([C@H](CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c2cccs2)CC1 301908134 AGRCZGBAOOKAPZ-CQSZACIVSA-N 429.589 4.006 5 20 IIBD O=C(CNc1ccc(F)cc1OCCC(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc21 409870376 BETCPKFKOXWLLM-UHFFFAOYSA-N 427.354 4.066 5 20 IIBD CCCc1c(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)cnn1-c1ccc(F)cc1 430169705 QAOLETBALDXFNQ-UHFFFAOYSA-N 449.442 4.438 5 20 IIBD O=C(CCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-])Nc1ccc(Cl)cc1 431032709 LCRJXRBOXUIKCW-UHFFFAOYSA-N 440.681 4.159 5 20 IIBD O=C(NCc1ccco1)c1cccc(COc2c(Br)cccc2[N+](=O)[O-])c1 431227077 ZBXUPWUOQQQXQP-UHFFFAOYSA-N 431.242 4.459 5 20 IIBD CC1(C)CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H](c2cccc(C(F)(F)F)c2)O1 432295157 GRGGQCQNLCVVHA-MRXNPFEDSA-N 444.431 4.154 5 20 IIBD O=C1[C@H](Nc2cccc(C(=O)N3CCc4ccccc43)c2)CCN1c1cccc([N+](=O)[O-])c1 433694047 LTCDSYGPSUWZPZ-JOCHJYFZSA-N 442.475 4.015 5 20 IIBD COc1cccc(C(=O)Nc2ccc(C(=O)Nc3cccnc3)c(Cl)c2)c1[N+](=O)[O-] 435717779 RJHMWSCYJZEEFF-UHFFFAOYSA-N 426.816 4.156 5 20 IIBD CC[C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCc2ccccc2C1 436100897 IZCYBRUMAAFGDS-OAQYLSRUSA-N 425.532 4.248 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 436767033 BCVTZCANIAIJQD-CYBMUJFWSA-N 428.832 4.024 5 20 IIBD Cc1c(NC(=O)[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(C)C)cnn1CCC(C)C 441573577 QLNKXRFMDGPPIM-IBGZPJMESA-N 449.939 4.192 5 20 IIBD C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 443934035 BQAPSFGKCNSDBS-MRXNPFEDSA-N 431.448 4.389 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 443972179 MJKFDNIDCOKNSB-NRFANRHFSA-N 446.507 4.261 5 20 IIBD CCN(CC)[C@H](CNC(=O)c1cccc(OC)c1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 444002018 CYGYGFPQHVCORQ-QGZVFWFLSA-N 439.434 4.435 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 444905907 VPLPAKYPNIZZGP-UHFFFAOYSA-N 437.374 4.148 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cn(-c4ccc(Cl)cc4)nc3C)n2)c1 445581220 ZQMLVLPIKJHZSP-UHFFFAOYSA-N 425.832 4.392 5 20 IIBD Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)n(-c2ccc(F)cc2)n1 445750604 KLPBOXSOAWXQGO-UHFFFAOYSA-N 433.237 4.172 5 20 IIBD O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 447076025 GCPLBXPLYNVIIC-WJOKGBTCSA-N 435.505 4.493 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1C[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 460525320 RXBMUEHIJOPOEU-DHIUTWEWSA-N 436.556 4.081 5 20 IIBD C[C@H](c1ccc(F)cc1)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 461644337 AYUFRIFSKQAQAL-HZPDHXFCSA-N 425.464 4.226 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1Oc1ccnc(C(=O)NC)c1 462621928 SSZYISHXSLHCLF-QGZVFWFLSA-N 448.479 4.349 5 20 IIBD Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl 467158108 AKQCRTXHDLWNPO-UHFFFAOYSA-N 444.797 4.170 5 20 IIBD CCO[C@@H](CCNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C(C)C 470012600 RDFGZBJRHQOAGZ-IBGZPJMESA-N 445.482 4.397 5 20 IIBD CC[C@@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C1CCOCC1 470673242 NWBMRHKEWLWTDQ-HSZRJFAPSA-N 448.523 4.311 5 20 IIBD Cc1cc(C)n(-c2ccccc2CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n1 472199626 NWTJWTRLPSPWJV-OAHLLOKOSA-N 428.876 4.134 5 20 IIBD COc1cc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc(-n2cccn2)c1 473658107 HKRZFDKLNWKNPZ-UHFFFAOYSA-N 446.413 4.406 5 20 IIBD O=C(NCCc1ccc(OCC(F)(F)F)nc1)c1cc2cc([N+](=O)[O-])ccc2s1 478081860 COYXDPUKRVSAHH-UHFFFAOYSA-N 425.388 4.118 5 20 IIBD COc1cc(C)c([C@H](C)NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)cc1OC 478368620 HCHUTNUXUZCBMX-AWEZNQCLSA-N 434.514 4.040 5 20 IIBD C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C[C@]2(CCOC2)O1 478428025 NKUFMBQWTMQNEF-QKKBWIMNSA-N 448.928 4.419 5 20 IIBD O=C(NCCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1ccc(F)cc1 480851644 XEEIZRWLMFPQHR-UHFFFAOYSA-N 439.468 4.045 5 20 IIBD CCOc1ccc(-n2c(Sc3ccc([N+](=O)[O-])cc3F)nnc2-c2cnccn2)cc1 481824249 MEAJPIJCWVTARU-UHFFFAOYSA-N 438.444 4.322 5 20 IIBD COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1OCc1cccnc1 483859667 UFADODSAKOSQBV-UHFFFAOYSA-N 445.378 4.431 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)c(C)c([N+](=O)[O-])c1 485963935 HEHTYPPOHRPXTJ-UHFFFAOYSA-N 431.420 4.066 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc(Cc2cccc(OC)c2)s1 487111282 RZMPLIBLMXGOSB-UHFFFAOYSA-N 430.511 4.410 5 20 IIBD COCC[C@]1(NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CCOC1 487501455 KWBCSMXBUVUNIU-FQEVSTJZSA-N 436.917 4.325 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] 489894371 YRQDNMCYTNJLCC-NSHDSACASA-N 427.427 4.266 5 20 IIBD O=C(c1cc2ccccc2n1CC(F)(F)F)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 494323430 SGFUHYOTUZYNGA-UHFFFAOYSA-N 432.402 4.074 5 20 IIBD CCC1(CO)CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 497356207 RUDXEDJLHXJFDP-UHFFFAOYSA-N 431.920 4.485 5 20 IIBD Cc1c(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cccc1C(=O)Nc1ccccc1 498402614 DQJMDXAGAIONPF-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD Cn1cc(C(=O)NCc2ccc(Oc3ccccc3)nc2)c(-c2ccc([N+](=O)[O-])cc2)n1 503445786 GEXRXLHOSXPSKG-UHFFFAOYSA-N 429.436 4.113 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)cc1OC 505423494 UNNTTWJJFTURHQ-INIZCTEOSA-N 434.317 4.314 5 20 IIBD CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 505654347 HRMMYZQUAHMJJU-MRXNPFEDSA-N 433.530 4.070 5 20 IIBD CC1(C)CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@](C)(C(F)(F)F)O1 505742376 RHXQPJBOZKCBTO-KRWDZBQOSA-N 429.420 4.290 5 20 IIBD CCOc1cc(NC(=O)N2CC[C@H](c3ccc(OC)cc3)C2)c([N+](=O)[O-])cc1OCC 506121914 IOPJCNMCGWOGMM-INIZCTEOSA-N 429.473 4.422 5 20 IIBD CCn1cnnc1-c1ccccc1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 510635889 XWGIOKLQSYJOPV-UHFFFAOYSA-N 430.262 4.196 5 20 IIBD COc1cc(CN2CCC[C@@H](Oc3ccccc3OC)C2)c([N+](=O)[O-])cc1OC(F)F 513411849 QXAQFSGHDACGJI-OAHLLOKOSA-N 438.427 4.257 5 20 IIBD COc1cc([C@@H](C)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1OCC(C)C 516344937 PFXOYQTUMRPQGF-CYBMUJFWSA-N 442.921 4.331 5 20 IIBD Cc1ccc(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c(-c2nc(C3CC3)no2)c1 517441648 BSQYSMWOPODKOF-UHFFFAOYSA-N 435.440 4.257 5 20 IIBD O=C(Nc1nc(-c2cccc(Cl)c2)cs1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 520227333 RYUKDSPFAFYTHH-UHFFFAOYSA-N 426.845 4.205 5 20 IIBD COc1cc(CCNC(=O)N[C@H](c2ccccc2)C2CCCC2)c([N+](=O)[O-])cc1OC 520819319 WTEQYUKQBHPTSO-JOCHJYFZSA-N 427.501 4.385 5 20 IIBD COc1cc([C@@H](C)N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(C)C 520970460 JOBBPMYNOFGZDF-UZLBHIALSA-N 427.501 4.094 5 20 IIBD Cc1cccc([C@@H]2CCCN2C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1C 525073899 OPAYUHJLKFSJPU-SFHVURJKSA-N 437.525 4.469 5 20 IIBD CCOc1cc(NC(=O)N2CCO[C@@H](c3ccccc3C)C2)c([N+](=O)[O-])cc1OCC 525225034 CMMZRRIMDKQOED-OAQYLSRUSA-N 429.473 4.306 5 20 IIBD O=C(c1cccc(NCc2cc([N+](=O)[O-])ccc2OC(F)F)c1)N1CCCC[C@H]1CCO 532725523 YMWFRMLLULVZIE-SFHVURJKSA-N 449.454 4.185 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(OC)cccc2s1 535661091 HRUBDAXOXAYFMZ-UHFFFAOYSA-N 447.494 4.121 5 20 IIBD O=C(Cc1csc(-c2cccc(Br)c2)n1)NCCc1cccc([N+](=O)[O-])c1 536277705 HXXZTERWMPBSEF-UHFFFAOYSA-N 446.326 4.382 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 537244556 QRFYLRKBGHOIBU-CPJSRVTESA-N 434.442 4.079 5 20 IIBD O=c1c(Br)cc(C(F)(F)F)cn1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 537346914 DOTKRNFQFDBZDO-UHFFFAOYSA-N 444.163 4.241 5 20 IIBD COc1cc(CN2CCC[C@@H]2[C@@H](O)C(F)(F)F)ccc1OCc1ccc([N+](=O)[O-])cc1 537630846 FVNKUURTYAKEFP-YLJYHZDGSA-N 440.418 4.070 5 20 IIBD CCOc1cc(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])cc1OC 539151403 FJSWNJIQDOBEBA-KXBFYZLASA-N 438.839 4.055 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 539298862 VIRDHRDWYNIHEL-FQEVSTJZSA-N 447.532 4.038 5 20 IIBD Cc1csc(Sc2ccc(NC(=O)CNC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)n1 541147508 JLBODKLFEPKPJG-UHFFFAOYSA-N 442.522 4.188 5 20 IIBD Cc1noc(-c2ccccc2)c1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 541842102 RPTHIWWIPPXONL-UHFFFAOYSA-N 436.453 4.090 5 20 IIBD Cc1nc(N(C)C[C@@H](C)c2nccs2)nc(N(C)C[C@@H](C)c2nccs2)c1[N+](=O)[O-] 542258500 VOUBZZVMQNAXBI-CHWSQXEVSA-N 447.590 4.086 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 542562092 BVSIOVQXCSYDSN-FXAWDEMLSA-N 448.516 4.465 5 20 IIBD COc1cc(CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)ccc1OCC(F)(F)F 543473781 MVPMYLWYYXAKEE-NSHDSACASA-N 430.354 4.104 5 20 IIBD CCOc1c(Cl)cc(-c2noc(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)n2)cc1OC 544912949 WMWACGLLYCFEGY-UHFFFAOYSA-N 447.831 4.068 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1noc(CSc2ccc(C(F)(F)F)cn2)n1 545669634 RDJJZDFFNRFANI-UHFFFAOYSA-N 425.392 4.339 5 20 IIBD Cn1c(SCCOc2ccc(C(F)(F)F)cc2)nc2cc([N+](=O)[O-])ccc2c1=O 545819220 YPSWRXIMAOUCAT-UHFFFAOYSA-N 425.388 4.032 5 20 IIBD CCN(C)C(=O)c1cccc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)c1 546451903 MDDJXSWEJZGXGN-UHFFFAOYSA-N 445.273 4.090 5 20 IIBD CC(C)(C(=O)Nc1cccc(C[S@@](=O)C2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1F 547271721 WGPQQMBIYLXDFT-WJOKGBTCSA-N 448.516 4.078 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)cc1[N+](=O)[O-] 551475343 WZHFMHHCOOXPBE-GOSISDBHSA-N 441.484 4.027 5 20 IIBD CCOC(=O)c1cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(F)cc1C 551681841 YLDYRLAAERGZBF-UHFFFAOYSA-N 432.451 4.418 5 20 IIBD O=C(Nc1cccc2cc(Br)cnc12)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 553153796 JVWDPGPVDNDBOP-UHFFFAOYSA-N 438.241 4.344 5 20 IIBD CC(C)(NC(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1ccccc1[N+](=O)[O-] 553727027 QZUCPMVVCIDZJC-UHFFFAOYSA-N 430.464 4.487 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(-c2cccnc2N2CCCC2)no1 554803522 OKAMFGLRVUGQTP-UHFFFAOYSA-N 430.262 4.378 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2 556280363 LXSVGMKBQYFXPH-ROUUACIJSA-N 448.491 4.092 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)c(Cl)c1 562055346 VYCIFHZODXVXHQ-UHFFFAOYSA-N 437.880 4.437 5 20 IIBD CC(C)(c1ccc(Cl)cc1)c1noc(-c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)n1 566823820 QGXJBUJKLLOARJ-UHFFFAOYSA-N 440.843 4.278 5 20 IIBD CC(C)NC(=O)c1ccc(N[C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)c([N+](=O)[O-])c1 567282502 UIDZZOMGGISDJU-MGPUTAFESA-N 442.491 4.036 5 20 IIBD COc1cc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])cc2I)cc1C 576026385 SETUYFADLQGLFO-UHFFFAOYSA-N 446.628 4.422 5 20 IIBD COc1cc(C(=O)N(C)[C@H](C)Cc2ccccc2C(F)(F)F)cc([N+](=O)[O-])c1OC 577903077 VURBUXNOFAWXEI-GFCCVEGCSA-N 426.391 4.334 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 586825729 AWAIAPVZMMXKPJ-WMLDXEAASA-N 449.429 4.138 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3ccccc3)c(C)n2)cc1OC 589624506 YIKGRDPMTSKYFW-UHFFFAOYSA-N 437.452 4.251 5 20 IIBD COc1c(Br)cc(Cl)cc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 603574118 DLDULASNIJGPLZ-UHFFFAOYSA-N 425.626 4.148 5 20 IIBD COc1cc(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)c([N+](=O)[O-])cc1OC(F)F 603939663 VBQCPVZWDCKTQT-UHFFFAOYSA-N 449.410 4.083 5 20 IIBD O=C(c1cc(NCc2ccc(OCc3ccccn3)cc2)ccc1[N+](=O)[O-])N1CCCC1 603943997 XJHCRMXDAKBZMQ-UHFFFAOYSA-N 432.480 4.417 5 20 IIBD Cc1nc(NC(=O)c2ccc([N+](=O)[O-])n2C)sc1Cc1cccc(Br)c1 603975442 ZLVBQNSKLWLFDF-UHFFFAOYSA-N 435.303 4.304 5 20 IIBD C[C@H]1CN(c2ccccc2NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)O1 604447139 PAVPSKGMCXJNRQ-ZNMIVQPWSA-N 433.892 4.268 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N1CCCc2c(F)cc(F)cc21 604566963 DIFBOUBKLCZLGI-UHFFFAOYSA-N 444.175 4.071 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCc2sc(-c3ccccc3)nc2C)cc1OC 608954134 FHRMDDAXFIUNGZ-UHFFFAOYSA-N 427.482 4.364 5 20 IIBD CCN(Cc1ccoc1)C(=O)c1ccc(C(=O)N(CC)Cc2ccoc2)c([N+](=O)[O-])c1 609045231 XYOUQFFYOGXKSO-UHFFFAOYSA-N 425.441 4.105 5 20 IIBD CCNc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2OCC(F)(F)F)cc1[N+](=O)[O-] 609067233 RYJITNKYTNMZKZ-UHFFFAOYSA-N 441.362 4.007 5 20 IIBD O=C(NC[C@H]1OCCc2ccccc21)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 609859590 JISOTHMIFKLNMR-GOSISDBHSA-N 447.278 4.131 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NCCCc3nc4ccccc4n3C)cc2[N+](=O)[O-])C1 609879038 FFJDISGGLPTKIF-HDICACEKSA-N 449.555 4.326 5 20 IIBD CC[C@@H](CCO)NC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 610145937 IYJRVGKPEHDMHN-ZDUSSCGKSA-N 425.844 4.140 5 20 IIBD CC(C)Cn1c(Sc2c([N+](=O)[O-])ncn2C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 610345590 APCXSKULPBODID-LLVKDONJSA-N 433.559 4.032 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC(OCc2ccc(F)cc2)CC1 611262267 JERXUQCIEJTINJ-UHFFFAOYSA-N 441.503 4.158 5 20 IIBD CCOC(=O)c1c(F)cccc1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 611451032 CZVBCPPRDUNDSM-UHFFFAOYSA-N 440.431 4.025 5 20 IIBD COc1cccc(CC2CCN(C(=O)CSCc3ccc(OC)c([N+](=O)[O-])c3)CC2)c1 612215078 UUWAFSSWGZULMH-UHFFFAOYSA-N 444.553 4.327 5 20 IIBD Cn1cnnc1Sc1ccc(-c2nc([C@H]3CCc4ccccc4C3)no2)cc1[N+](=O)[O-] 612952129 VFTYYFRBGLKRHL-HNNXBMFYSA-N 434.481 4.197 5 20 IIBD Cn1ccnc1COc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 614279979 OHEORDXQEMFQRV-UHFFFAOYSA-N 438.487 4.106 5 20 IIBD CCOc1cc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)c([N+](=O)[O-])cc1OCC 619212737 JBNVPHILPLNNIH-QGZVFWFLSA-N 430.457 4.202 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](Cc1ccccc1)c1ccccc1F 619486452 SYYCSXITOICUIO-GOSISDBHSA-N 430.457 4.005 5 20 IIBD COc1ccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c(Br)c1 727095050 UVXXSXKYSVZWJH-UHFFFAOYSA-N 430.052 4.381 5 20 IIBD O=C(OCc1ccccc1)c1cccc(CNc2cc3ncnc(O)c3cc2[N+](=O)[O-])c1 727436029 XBOOECKACBKYJM-UHFFFAOYSA-N 430.420 4.213 5 20 IIBD O=C(Nc1cccc(F)c1F)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727594535 ADJBDAWJQGVKSY-UHFFFAOYSA-N 430.333 4.246 5 20 IIBD O=[N+]([O-])c1cccc(-c2nccc(/C=C/c3csc(-c4ccc5c(c4)OCO5)n3)[n+]2[O-])c1 728440314 MMFFLTYVLNOPGM-AATRIKPKSA-N 446.444 4.313 5 20 IIBD CSCCc1ccc(NC(=O)c2ccc(I)c([N+](=O)[O-])c2)cc1 730494073 NIFJSEVDZPMHEA-UHFFFAOYSA-N 442.278 4.357 5 20 IIBD Cc1ccc(CCC(=O)OC[C@@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])cc1Cl 730702489 AKBVCCLZRLFICX-KRWDZBQOSA-N 430.888 4.337 5 20 IIBD O=C(N[C@@H](Cc1ccccc1)C(=O)OCc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 734975306 XQQSSLLNVGJVER-NRFANRHFSA-N 438.867 4.333 5 20 IIBD O=C(OCCc1ccc([N+](=O)[O-])cc1)c1nn(-c2ccc(F)cc2)cc1Br 735543593 AMOZCJVNJOUEQR-UHFFFAOYSA-N 434.221 4.082 5 20 IIBD O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)c1csc(-c2ccc3c(c2)OCCO3)n1 735901126 MISUNMXJLZQLBF-UHFFFAOYSA-N 432.841 4.500 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)cc1[N+](=O)[O-] 742030008 NNYXVXPGHANLSQ-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD C[C@H](C(=O)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 742050718 LLHIQIKTQUZAMF-JXFKEZNVSA-N 428.460 4.466 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 742404084 NMKBWAYFCAFNDU-LBPRGKRZSA-N 428.327 4.487 5 20 IIBD CCOc1ccc(N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1S(=O)(=O)N1CCCCC1 742702980 HYMFSXYSPWOOAE-INIZCTEOSA-N 433.530 4.341 5 20 IIBD C[C@H](OC(=O)c1cc(F)ccc1[N+](=O)[O-])C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 743197319 LQNOFQKWNMPHAN-ZJUUUORDSA-N 429.231 4.463 5 20 IIBD COC(=O)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(Cl)c1 743797178 UNOYXMIVGHBJGD-NHYWBVRUSA-N 441.267 4.090 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCC[C@H](c2nc3ccccc3s2)C1 746715085 BNESFAPNTJVNLL-LBPRGKRZSA-N 442.453 4.283 5 20 IIBD O=C(c1ccc(Br)s1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 750583675 UJVONNFOYQZDCW-UHFFFAOYSA-N 446.120 4.380 5 20 IIBD CC(C)(C)C[C@H](NC(=O)COC(=O)c1c(F)ccc([N+](=O)[O-])c1F)c1ccc(F)cc1 752560666 AAMCRYPWIOOOET-HNNXBMFYSA-N 438.402 4.463 5 20 IIBD CC[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1ccc2c(c1)OCCO2 754635651 JKENRNKSDOYAQB-CYBMUJFWSA-N 439.237 4.149 5 20 IIBD O=C(COC(=O)c1cc(-c2ccccn2)ccc1Cl)Nc1ccc(F)c([N+](=O)[O-])c1 755000542 ZOGFQLVAPZUIBW-UHFFFAOYSA-N 429.791 4.245 5 20 IIBD O=C(COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)N[C@H](c1ccccc1)c1cccs1 756769223 SWLIWEBDIMJOBJ-OAQYLSRUSA-N 435.461 4.200 5 20 IIBD COc1cc(C(=O)O[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)ccc1O 757096185 VUDNQTNVYOKUFX-OAQYLSRUSA-N 436.420 4.154 5 20 IIBD O=C(Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1cccc([N+](=O)[O-])c1Br 759199825 FIXTXYACEPMKGJ-UHFFFAOYSA-N 444.285 4.299 5 20 IIBD CC(=O)NCc1ccc(-c2nc(NC(=O)c3cc(F)cc(C)c3[N+](=O)[O-])sc2C)s1 760343481 VVYFDCAZECRFTD-UHFFFAOYSA-N 448.501 4.424 5 20 IIBD O=[N+]([O-])c1ccc(CCc2nc(-c3cc(F)cc(Br)c3)no2)c([N+](=O)[O-])c1 761663302 LHILUAJFKNDLRV-UHFFFAOYSA-N 437.181 4.240 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 762907061 YHEFZBJRIOKJQS-NSHDSACASA-N 431.832 4.231 5 20 IIBD CC(C)N1CCC[C@H](OC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 764492037 QAQCPMJOUFWUNQ-IBGZPJMESA-N 444.871 4.035 5 20 IIBD O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 765100365 VQFXKUCOWFQMMF-UHFFFAOYSA-N 428.794 4.391 5 20 IIBD Cc1cccc([C@@H](O)CNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c1 768312090 OHSNFKUWPURURE-KRWDZBQOSA-N 429.523 4.283 5 20 IIBD C[C@H](CCSc1ccccc1)OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 770027153 XCLMAMUCPLDXPE-ZBFHGGJFSA-N 434.539 4.375 5 20 IIBD O=C(OC1CCN(c2ccc(Cl)cn2)CC1)c1cc(Br)cc([N+](=O)[O-])c1 770529192 LPPHKDWKWDIPDB-UHFFFAOYSA-N 440.681 4.232 5 20 IIBD CC(C)CNC(=O)c1ccccc1NC(=O)c1sc(Br)cc1[N+](=O)[O-] 770822341 QCZVVPLOJHBLNE-UHFFFAOYSA-N 426.292 4.057 5 20 IIBD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1NC(=O)OC(C)(C)C 772287714 QLGJSLYIZYNFAZ-CQSZACIVSA-N 443.456 4.434 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])c2nsnc2c1)c1ccc(OCc2cccnc2)cc1 778235413 OTFHHTMMOMMFHM-CYBMUJFWSA-N 435.465 4.065 5 20 IIBD Cc1cc(C(=O)O[C@H]2CCN(c3ccc([N+](=O)[O-])cc3F)C2)c(C)n1CC(F)(F)F 778805718 HUJBXDMJIDRTIH-AWEZNQCLSA-N 429.370 4.150 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2C(=O)CCCC2=O)cc1 779843248 XXVHVDIRJDJYSU-UHFFFAOYSA-N 427.482 4.393 5 20 IIBD COc1ccccc1[C@H](C)N(C)C(=O)COC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 781260752 VBFUXXGVEPSROD-INIZCTEOSA-N 444.487 4.066 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCC[C@@H](c2nc3ccccc3s2)C1 781932772 HNXKJOKBWFBEFT-OAHLLOKOSA-N 440.481 4.452 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(C)(NC(=O)OC(C)(C)C)CC1 781975470 XYGBJVPWLFOIPZ-CQSZACIVSA-N 431.493 4.085 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1cccnc1F 789012998 QXWSDONUIVEVEV-QGZVFWFLSA-N 429.791 4.319 5 20 IIBD COC[C@@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 790745138 DBXAVLZGJHJXOC-OAHLLOKOSA-N 434.773 4.453 5 20 IIBD COc1cc(OC)cc(Oc2ccc(CNC(=O)c3cc(F)ccc3[N+](=O)[O-])cc2)c1 791156744 DMIXYUYJNPYKDK-UHFFFAOYSA-N 426.400 4.473 5 20 IIBD O=C(COC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])c1cnccn1 792134687 YWJXCVVYUFUHFZ-UHFFFAOYSA-N 429.841 4.229 5 20 IIBD CCCc1[nH]nc(C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1[N+](=O)[O-] 796262329 ZOXRFUGEMFVYHB-UHFFFAOYSA-N 435.651 4.026 5 20 IIBD O=C(COC(=O)COc1cc(Cl)ccc1Cl)Nc1ccc(Cl)c([N+](=O)[O-])c1 798092197 NPVYPKGJRUQARB-UHFFFAOYSA-N 433.631 4.116 5 20 IIBD CC(=O)CCC(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 800394528 HOTDDWWPKGIPIT-UHFFFAOYSA-N 425.224 4.429 5 20 IIBD O=C(OCc1c(F)cc([N+](=O)[O-])cc1F)c1cc([N+](=O)[O-])c(Br)cc1F 803384351 YCLNYJLRDJMUQI-UHFFFAOYSA-N 435.108 4.040 5 20 IIBD O=C(COC(=O)c1ccnc(-c2ccc(Cl)cc2)n1)Nc1cc([N+](=O)[O-])ccc1Cl 805657742 MQVOUWUPMIXOCR-UHFFFAOYSA-N 447.234 4.154 5 20 IIBD C[C@@H](OC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(=O)N(C)Cc1cccc(F)c1 811374485 HXQRTFXKMJZJEX-SNVBAGLBSA-N 429.231 4.245 5 20 IIBD C[C@@H](C(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1cccc(Br)c1 813064502 JLXJMRLYSCGBKL-CQSZACIVSA-N 448.317 4.316 5 20 IIBD O=C(Nc1cc2c(cc1Br)OCCO2)c1cc([N+](=O)[O-])ccc1C(F)(F)F 814906983 PRRPHVNWJGSUTF-UHFFFAOYSA-N 447.163 4.400 5 20 IIBD O=C(CCn1c(=O)oc2cc(Cl)ccc21)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F 815183154 PRNUPZUYGNXTHK-UHFFFAOYSA-N 444.749 4.308 5 20 IIBD O=[N+]([O-])c1ccc(-n2ccc(-c3nc(-c4cccc(Br)c4)no3)n2)c(F)c1 904291775 ATGOBNZJWNGOJM-UHFFFAOYSA-N 430.193 4.399 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 915250364 RUDVHMSMBVNNIU-HOTGVXAUSA-N 442.468 4.057 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F 915829491 RYSSVPLDRGRZEE-CQSZACIVSA-N 439.802 4.093 5 20 IIBD CCOc1ccc(C(=O)OCC(=O)N(C)C(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 916655439 XXEIGBFZMVPDFC-UHFFFAOYSA-N 448.475 4.398 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)CC1 918347673 IUDRTQMAAYNGTJ-QFIPXVFZSA-N 428.508 4.003 5 20 IIBD COc1ccc(COC(=O)c2ccc(SC)c([N+](=O)[O-])c2)c(Br)c1OC 918814829 FSLMTOPNLBVKLY-UHFFFAOYSA-N 442.287 4.453 5 20 IIBD Cc1ccc([C@H](NC(=O)Cn2c(C)nc([N+](=O)[O-])c2Br)c2cccs2)cc1 920751165 XCGQFAWRGUUHOP-INIZCTEOSA-N 449.330 4.138 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cn2)cc1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1116027679 LIMGASHZWKFVBZ-UHFFFAOYSA-N 438.871 4.398 5 20 IIBD COc1ccc(CSCC(=O)Nc2cc(C)nn2-c2cccc(C)c2)cc1[N+](=O)[O-] 1248605289 RQYKXNRLLKRLBN-UHFFFAOYSA-N 426.498 4.278 5 20 IIBD CCN(CC)Cc1ccc(-c2nnc([C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)o2)o1 1322321556 RHMWCCFNSFMLMA-CQSZACIVSA-N 445.501 4.118 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cccc(COc2cccc(C=O)c2)c1 1322564581 AXRCELLWRCPPML-UHFFFAOYSA-N 448.431 4.090 5 20 IIBD O=C(Nc1cc(-c2nnc3n2CCCCC3)ccc1F)N1Cc2ccc([N+](=O)[O-])cc2C1 1339574538 JMSWUMADYUXKGO-UHFFFAOYSA-N 436.447 4.267 5 20 IIBD COc1cc(CC(=O)Nc2ccc(C3(NC(=O)C4(C)CC4)CCC3)cc2)ccc1[N+](=O)[O-] 1790478012 QGRIEILTMGLTMW-UHFFFAOYSA-N 437.496 4.080 5 20 IIBD O=C(CCc1ccc[nH]1)NC1(c2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2)CCC1 1790619384 HBAMULJCVNBDKI-UHFFFAOYSA-N 448.479 4.009 5 20 IIBD Cc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C23CCC(CC2)CC3)cc1[N+](=O)[O-] 1803243556 ASAQYNGMEQBZHX-CLZVLWOCSA-N 439.556 4.054 5 20 IIBD CC(C)(C)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)n[nH]1 1814966871 VQPSAOHDZAFDDD-DYLHUKMJSA-N 429.477 4.053 5 20 IIBD COc1cc(CCNC(=O)c2cc(Br)ccc2Cl)c([N+](=O)[O-])cc1OC 11081260 RTFYJMDYGNNFQV-UHFFFAOYSA-N 443.681 4.000 5 20 IIBD CCNc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] 15648812 MMQYRRPRXCDNHH-LLVKDONJSA-N 425.363 4.229 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Sc2nc3ccccc3c(=O)n2C(C)C)c([N+](=O)[O-])c1 16798058 LTJPMGRTYRAQOE-ZDUSSCGKSA-N 442.497 4.014 5 20 IIBD C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 17272816 OYJFNBWMVLOOBS-GFCCVEGCSA-N 429.527 4.293 5 20 IIBD O=C(CSc1nc2cc([N+](=O)[O-])ccc2n1-c1cccc(C(F)(F)F)c1)NC1CC1 21971181 XVGMNGFGVAHJFM-UHFFFAOYSA-N 436.415 4.323 5 20 IIBD Cc1ccc(-c2nc(CC(=O)O[C@@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cs2)cc1 26205780 GKDOTHXFJOPPNJ-ZDUSSCGKSA-N 443.456 4.279 5 20 IIBD Cc1ccc(F)cc1NC(=O)[C@H](C)OC(=O)Cn1c2ccccc2c(=O)c2ccccc21 28774947 NHHRBJHRXFGGRW-INIZCTEOSA-N 432.451 4.173 5 20 IIBD O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 31257402 ZVMZPRRZGMQOPJ-UHFFFAOYSA-N 443.467 4.018 5 20 IIBD O=C(Nc1ccc(N2CCc3sccc3C2)nc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 32157739 WDIDSEMGCLXJBO-UHFFFAOYSA-N 446.492 4.052 5 20 IIBD O=C(NCc1ccc(COc2ccccc2)cc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 32304878 RHTNXXRBZQWMRC-UHFFFAOYSA-N 428.448 4.290 5 20 IIBD O=C(c1ccc(Cl)cc1)C1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 60482361 HQTZRHUZSVCQOI-UHFFFAOYSA-N 426.860 4.393 5 20 IIBD Cc1nc(Sc2nnc(CN3CCCC3)n2-c2ccc(Cl)cc2)ccc1[N+](=O)[O-] 301658347 SPEMXKBUEXPOAZ-UHFFFAOYSA-N 430.921 4.279 5 20 IIBD CN1CC[C@H](CNc2cc3ncnc(O)c3cc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 301852692 BUDIUDLJHFACJP-CWTRNNRKSA-N 431.855 4.141 5 20 IIBD O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 303408601 QOKOJAYYQCIBRN-QFIPXVFZSA-N 444.491 4.149 5 20 IIBD CCCN(C(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)[C@@H]1C[C@@H](OCC)C12CCCC2 303841522 NAEQGEYJPBLXON-WOJBJXKFSA-N 427.501 4.439 5 20 IIBD CC(C)(c1nc(-c2cccc(C(=O)NCc3ccco3)c2)no1)c1ccccc1[N+](=O)[O-] 426429562 ITNBFLOBYHRLHY-UHFFFAOYSA-N 432.436 4.494 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cccc(F)c3-c3nc[nH]n3)cc2[N+](=O)[O-])C1 428231963 SPEJWBADPNVUKW-ZIAGYGMSSA-N 438.463 4.254 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)O)(c2ccccc2)CC1 431214264 RYNABEWCBFINHF-UHFFFAOYSA-N 428.510 4.354 5 20 IIBD COc1cc(Br)c(S(=O)(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1Cl 433620439 ZPMCLPQGCHESDT-VIFPVBQESA-N 449.710 4.059 5 20 IIBD Cc1cc(=NCC2(N[C@@H](C)c3ccccc3)CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 433787641 WRJTZBLNTSBITG-IBGZPJMESA-N 447.539 4.094 5 20 IIBD CN(CC(=O)Nc1cccc(Cl)c1)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 436098650 FEVRRLJGOAQYTA-UHFFFAOYSA-N 437.858 4.185 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cccc(OC[C@H]2CCCO2)c1 438783483 DCOKRXUUJPFIPV-CQSZACIVSA-N 447.296 4.260 5 20 IIBD Cc1cc(S(=O)(=O)N2CCCC[C@H]2c2ncc(-c3ccccc3)[nH]2)ccc1[N+](=O)[O-] 439201612 KGTNORSKJTUMTE-FQEVSTJZSA-N 426.498 4.209 5 20 IIBD Cc1ccc([C@@H](C)N(C)S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1 439242332 ACXAGOHWYHLCCY-CYBMUJFWSA-N 427.320 4.356 5 20 IIBD O=C(CN1C(=O)CCCc2ccccc21)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 440609627 LBXAQMSMXUUOGE-UHFFFAOYSA-N 429.476 4.498 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1cc(Br)c2c(c1)OCCO2 443955808 HUHBDRFURMAVHL-UHFFFAOYSA-N 436.262 4.067 5 20 IIBD O=C(COc1cccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1)Nc1ccccc1 446828686 XVITUOUSYSRGND-UHFFFAOYSA-N 446.463 4.203 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCn2c(cc3ccc(Cl)cc32)C1 447397211 ZFBGTEUQZIGXCD-UHFFFAOYSA-N 428.876 4.056 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(Cc1ccccc1OC)C[C@@H]1CCCO1 460298716 VVZCBIQSMPAPSQ-FQEVSTJZSA-N 437.500 4.067 5 20 IIBD O=[N+]([O-])c1ccc2nc(N3CCCN(Cc4cc(Cl)cc5cccnc45)CC3)[nH]c2c1 460350472 VCXWSMNZLGZCME-UHFFFAOYSA-N 436.903 4.385 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(c1nnc(CCC3CCCCC3)n1C[C@@H]1CCOC1)CC2 461566809 AMSBVRJZGFJBTE-IBGZPJMESA-N 439.560 4.298 5 20 IIBD Cc1ccsc1-c1nnc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1C[C@@H]1CCOC1 461706523 KYTLOALVBXZJFG-INIZCTEOSA-N 439.541 4.429 5 20 IIBD O=C1C[C@H](Nc2ccc(COCc3ccccc3)cc2)C(=O)N1c1cccc([N+](=O)[O-])c1 462278657 LVWDJXSMCXUKNE-QFIPXVFZSA-N 431.448 4.056 5 20 IIBD O=C(NCCn1cc(-c2cccc([N+](=O)[O-])c2)cn1)c1cccnc1Oc1ccccc1 462400526 FIPVNBZOBGQNNK-UHFFFAOYSA-N 429.436 4.076 5 20 IIBD C[C@@H]1C[C@@H](c2ccccc2F)N(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 462634555 ZTKRDJZYQYGRRY-ABAIWWIYSA-N 443.294 4.268 5 20 IIBD CN(C)c1cc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c2ccccc2n1 465099999 AXBGIGFPUJUMJQ-UHFFFAOYSA-N 433.493 4.263 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCN(c2cccs2)CC1 466894149 OJMPZDKYKFVCDT-UHFFFAOYSA-N 431.461 4.116 5 20 IIBD C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 466894937 XAEYBJOKJSHHJB-NXHRZFHOSA-N 427.526 4.056 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N(Cc1ccccc1)[C@@H](C)C(C)(C)C 469409302 CSTHGWWPYMYPLW-HNNXBMFYSA-N 434.514 4.007 5 20 IIBD CC[C@@H](C(=O)N1CCC(NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1)c1ccccc1 470112727 FAPRPYOXEYBIHF-HXUWFJFHSA-N 428.464 4.040 5 20 IIBD CC(C)(C)OC(=O)CCc1cccc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1 470114203 SOPCJGQRIUWMNN-UHFFFAOYSA-N 436.468 4.307 5 20 IIBD Cc1sc2nc(CS[C@@H](C)C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)nc(O)c2c1C 470706514 GIJBAPOSXWNIFH-JTQLQIEISA-N 436.490 4.321 5 20 IIBD CC(C)(C)N(CC(=O)Nc1ccc(F)cc1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 475346418 GOMGYQZYTWLHNR-UHFFFAOYSA-N 427.436 4.023 5 20 IIBD CCOc1cc(N2CCN(Cc3ccccc3OCc3ccccn3)CC2)ccc1[N+](=O)[O-] 475491900 IJCTYNNOAUPSRE-UHFFFAOYSA-N 448.523 4.290 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1)c1cccc([N+](=O)[O-])c1 476706193 VWBAJCLDLOQJFO-LBPRGKRZSA-N 443.381 4.495 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(c3ccccc3C(F)(F)F)C2)c1 477263057 HGWOICVQCPWHMM-LBPRGKRZSA-N 425.432 4.344 5 20 IIBD CCC(=O)[C@@H]1CCCCN1C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 477620700 WGCDBBKVIDBULG-QFIPXVFZSA-N 446.507 4.350 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H](c2cc(F)cc(Br)c2)C2CC2)cc1 478768752 OWLWRCVVZYOIIR-KRWDZBQOSA-N 443.294 4.067 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F 478910503 KZCPDIWXBBKLGK-AWEZNQCLSA-N 448.195 4.231 5 20 IIBD COC(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(C(F)(F)F)cc1 479348897 NTZCUETWXAALFR-HNNXBMFYSA-N 430.766 4.301 5 20 IIBD Cn1ccnc1C(=O)c1ccc(Sc2nc3cc(Cl)ccc3n2C)c([N+](=O)[O-])c1 480416038 HNJYBFUEKNLAPZ-UHFFFAOYSA-N 427.873 4.251 5 20 IIBD Cc1c(CNC(=O)C(=O)Nc2ccc(Br)c3ccccc23)cccc1[N+](=O)[O-] 483818262 HZGALRHUUVYHCK-UHFFFAOYSA-N 442.269 4.074 5 20 IIBD COC(=O)c1cc(NC(=O)N(C)Cc2cccc(Br)c2)c(C)c([N+](=O)[O-])c1 486897060 SKQHALNZPDKBAJ-UHFFFAOYSA-N 436.262 4.116 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CCC[C@H]1CCc1ccccc1 488891960 QHTADXHZWIZORW-INIZCTEOSA-N 439.331 4.143 5 20 IIBD Cc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 491381763 PSXKXOYQXWTBGV-INIZCTEOSA-N 435.427 4.347 5 20 IIBD O=C(c1cnn(-c2ccc(Br)cc2)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 493081921 RXOIIXIOPHCDOC-UHFFFAOYSA-N 441.285 4.348 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 494525370 GLMNSXZHLDZEGI-LBPRGKRZSA-N 425.268 4.498 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)c(Br)c1 497986496 ZGDYFLHBCXZBAZ-MRXNPFEDSA-N 443.344 4.102 5 20 IIBD Cn1ncc([N+](=O)[O-])c1C(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 500921468 UKDGROYOTNDQRA-UHFFFAOYSA-N 445.313 4.031 5 20 IIBD O=C(CCCC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(Br)cc1 500926215 QAUFXBJHIFGVIG-UHFFFAOYSA-N 431.286 4.295 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(CC)CC(=O)NCc1ccc(F)cc1 502521936 YPLJMXASFYSOCC-UHFFFAOYSA-N 433.505 4.015 5 20 IIBD CSc1ccc(C(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1[N+](=O)[O-] 504233386 XMBLGOJJCZGBON-CQSZACIVSA-N 436.493 4.455 5 20 IIBD O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCN[C@H](c2cccc(F)c2)C1 505476693 NMHZCACCQBMICB-QFIPXVFZSA-N 434.471 4.133 5 20 IIBD CC[C@@H](Cc1ccccc1Br)N(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 505986274 GOBCXSPGSXQJMZ-ZDUSSCGKSA-N 431.290 4.327 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1Oc1ccccc1Cl 506378331 ISKVEVMVGRMVHZ-UHFFFAOYSA-N 425.828 4.295 5 20 IIBD COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cc([N+](=O)[O-])c(C)cc1C 506596571 VKZLUWJEZOLJNC-UHFFFAOYSA-N 433.269 4.106 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(Sc3nnc(-c4ccc(OC(F)F)cc4)o3)cc2N1 506810187 ZCOLAJDAMNEJSD-UHFFFAOYSA-N 434.380 4.282 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](CO)Cc1c(F)cccc1Cl 507317583 XFULEOKQMSADOK-ZDUSSCGKSA-N 440.924 4.470 5 20 IIBD O=C(Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1csc([N+](=O)[O-])c1 508726159 GGPUBHOAFHVHHY-UHFFFAOYSA-N 437.886 4.363 5 20 IIBD C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(-n2cccn2)c(F)c1 508835460 RAGLOCSQEBPPJO-KRWDZBQOSA-N 440.478 4.357 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)cc1 515587967 FTRCWDDBIZNLDI-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD CCCCN1C(=O)C[C@H](C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(OC)cc1 515681736 RZLKAJABQPQFGQ-JFJYTDJESA-N 439.512 4.171 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1cccc(NC(=O)c2ccccc2)c1 515761301 VZJIPOXMFBRQAO-HNNXBMFYSA-N 434.452 4.295 5 20 IIBD Cc1c(C(=O)NCCSCCOc2cccc(Br)c2)cccc1[N+](=O)[O-] 517643295 ZHQFSHZPSGIZSB-UHFFFAOYSA-N 439.331 4.208 5 20 IIBD CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2)cc1 518281719 CVTRZAXUZTZZMN-UHFFFAOYSA-N 430.413 4.182 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 519951147 JWWWEKHCZIVLQT-UHFFFAOYSA-N 425.392 4.271 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccc(OCC(F)(F)F)cc1 520439138 QTLFWHFOWUFWJW-LLVKDONJSA-N 432.782 4.273 5 20 IIBD CCOc1ccc(NC(=O)CNc2ccccc2NC(=O)C[C@H]2C=CCC2)c([N+](=O)[O-])c1 521678348 UJPHNDXRQKWTQH-INIZCTEOSA-N 438.484 4.339 5 20 IIBD CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)cc1 522874124 BJELTHDPXIYAED-UHFFFAOYSA-N 445.541 4.261 5 20 IIBD COc1cc(CCNC(=O)Nc2cccc(C(=O)c3ccccc3)c2)c([N+](=O)[O-])cc1OC 524556855 LTAPUCMGZCTMDC-UHFFFAOYSA-N 449.463 4.207 5 20 IIBD CC(C)(C)CC(=O)Nc1ccc(CC(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)cc1 525034061 NJFKTKCNSLYTFT-UHFFFAOYSA-N 435.484 4.336 5 20 IIBD Cc1cc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)ccc1C(=O)N(C)C 525366882 VXDYYIZLLTXTBD-HOTGVXAUSA-N 438.528 4.340 5 20 IIBD COc1ccccc1[C@@H](C)N(C)C(=O)COc1c(C)cc(Br)cc1[N+](=O)[O-] 531850524 UQBPWFHGDYEGMU-CYBMUJFWSA-N 437.290 4.273 5 20 IIBD O=C(O)C[C@@H]1CCCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 532869083 XGKLNCAPHXTCGF-AWEZNQCLSA-N 431.876 4.187 5 20 IIBD C[C@H](N=c1c([N+](=O)[O-])c[nH]c2ccc(Br)cc12)c1ccc([S@](C)=O)cc1 533686790 SPMIJOLTFVTFGW-LJZMDLFKSA-N 434.315 4.238 5 20 IIBD O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 535554304 UFXWDUAAGXVYKF-OAHLLOKOSA-N 441.875 4.149 5 20 IIBD Cc1nc2ccccc2n1C[C@H]1CCCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 535962236 CLKPQAVTIMPYCL-MRXNPFEDSA-N 427.892 4.009 5 20 IIBD O=C(CNC1(c2ccc(F)cc2F)CCC1)Nc1ccc([N+](=O)[O-])cc1Br 537158341 XIBDPWGYPJGODJ-UHFFFAOYSA-N 440.244 4.243 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 538350638 NLKZOEWLMDSIMP-CZUORRHYSA-N 429.326 4.126 5 20 IIBD CC(=O)Nc1ccc(Br)cc1NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] 538370056 LSQHORNOUUCCIO-UHFFFAOYSA-N 436.262 4.032 5 20 IIBD Cc1c(C(=O)NCCNc2ncnc3ccc([N+](=O)[O-])cc23)sc2ccc(F)cc12 538824377 CYNDDTDNLAXWAX-UHFFFAOYSA-N 425.445 4.042 5 20 IIBD COc1cc(S(=O)(=O)Nc2ccc(SCc3cccnc3)cc2)ccc1[N+](=O)[O-] 538849790 UFPWHEMBSHJEMH-UHFFFAOYSA-N 431.495 4.092 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 541271102 HBGZFKFXERONGQ-KSSFIOAISA-N 428.844 4.265 5 20 IIBD Cc1cccc(NC(=O)N2CCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 543283746 OATHICLMRAFITL-UHFFFAOYSA-N 448.932 4.025 5 20 IIBD COC(=O)[C@@](C)(NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])C1CC1 545928139 BGLHTGLHKJXJLU-FQEVSTJZSA-N 434.901 4.471 5 20 IIBD Cc1ccc(C)c(SCc2noc(CSc3ccc(C(N)=O)cc3[N+](=O)[O-])n2)c1 546938123 MKERLYUGKDXRFK-UHFFFAOYSA-N 430.511 4.278 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(Cc3nc(O)c4c(-c5ccccc5)csc4n3)no2)nc1 546954273 RDRBNLIXZCHNFC-UHFFFAOYSA-N 432.421 4.008 5 20 IIBD COC(=O)c1cc(-c2nc(-c3ccc(COCC(F)(F)F)cc3)no2)cc([N+](=O)[O-])c1 547044394 YHOIOXARTDCQFI-UHFFFAOYSA-N 437.330 4.177 5 20 IIBD COc1ccc(-c2nnc(SCc3nc(Cc4cccc([N+](=O)[O-])c4C)no3)o2)cc1 547192224 QHXWBGMNJWQDTC-UHFFFAOYSA-N 439.453 4.228 5 20 IIBD O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1 549302154 LPLOHTUEKLLDDA-UHFFFAOYSA-N 445.504 4.229 5 20 IIBD CCS[C@@H](C)c1noc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)C)n1 549417311 LZGBFIJNJQEETD-AWEZNQCLSA-N 445.549 4.343 5 20 IIBD Cn1nccc1[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cccs2)C1 549579340 USXCALZVBBEQMD-QGZVFWFLSA-N 449.540 4.081 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(C4(c5cncc(Br)c5)CC4)n3)c2c1 561909676 SZBYPSDPJYWUOD-UHFFFAOYSA-N 440.257 4.287 5 20 IIBD CCOCCOc1c(Cl)cccc1NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 570196925 LJSKEEJZCNAIKG-UHFFFAOYSA-N 431.832 4.170 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1I 573744642 QOARDFWTCQNEMY-UHFFFAOYSA-N 443.216 4.045 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2c2nc(-c3cccc(-n4ccnc4)c3)no2)ccc1[N+](=O)[O-] 577798631 ZYTRMACWNJSOJJ-FQEVSTJZSA-N 444.451 4.116 5 20 IIBD COc1cccc(C(=O)Nc2nnc(-c3cccc(OC(F)(F)F)c3)s2)c1[N+](=O)[O-] 579018629 OEIHQEYCGWPVHU-UHFFFAOYSA-N 440.359 4.273 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCc2noc3ccccc23)c([N+](=O)[O-])c1 580138535 ZWXDYEWQZQPXMG-UHFFFAOYSA-N 431.404 4.366 5 20 IIBD COc1cc(C(=O)N2CC[C@@H](N(C)C)[C@@H]2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 590566194 GOQZVRVYQZTALR-XJKSGUPXSA-N 433.892 4.214 5 20 IIBD Cc1nn(C(C)(C)C)c(C)c1C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 603781178 WSAVKELBJLWKOB-UHFFFAOYSA-N 427.427 4.024 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(NC(=O)c2ccccn2)c1 604006613 ACTKHXRYEQRGCX-OAHLLOKOSA-N 436.493 4.039 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)NCC(C)(C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 604024204 QWUPYEWFQJXBGW-UHFFFAOYSA-N 445.932 4.236 5 20 IIBD O=C(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 608869860 UINDVHQNJBMLFA-QFIPXVFZSA-N 447.882 4.413 5 20 IIBD O=C(Nc1ccc(-c2nc3ccccc3s2)cn1)c1cc([N+](=O)[O-])cc2c1OCCO2 609407527 OXLGHSSJTZMAHY-UHFFFAOYSA-N 434.433 4.290 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)Nc1cccc(CSC2CCOCC2)c1 609715174 NEZCJEPUJZEMQS-UHFFFAOYSA-N 431.514 4.208 5 20 IIBD CC(C)c1nncn1CCNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 610111035 JZVMWQDXVPZNAT-UHFFFAOYSA-N 429.864 4.185 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@H](Cn3cccn3)c3ccccc3)cc2[N+](=O)[O-])CC1 610155094 VAWWMPZAOFFFAT-OAQYLSRUSA-N 433.512 4.199 5 20 IIBD C[C@@H](OCCCNC(=O)COc1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 610219578 SKZJZCJQABWWFF-CQSZACIVSA-N 437.290 4.020 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cc(Br)c(F)cc1Cl 610585403 NRBDNTLYKOHOKR-UHFFFAOYSA-N 432.633 4.480 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC[C@H]1c1ccccc1Br 610679537 AZTROIBNKZGVNH-AWEZNQCLSA-N 429.267 4.022 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCc3ccccc3[C@@H]2C(C)C)cc1OC 610795076 WIAXEHDVYYVTDF-QFIPXVFZSA-N 428.485 4.024 5 20 IIBD NC(=O)N1CCc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3SC3CCCC3)cc21 618885854 VDMHFNIGBVQOOT-UHFFFAOYSA-N 426.498 4.323 5 20 IIBD Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)N2CCCC2)o1 725744483 OVQKEJDLCILTPZ-OAQYLSRUSA-N 426.517 4.053 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)OCc2nnc(C(C)C)o2)cc1[N+](=O)[O-] 726987886 JWQQJOACTDWGFN-UHFFFAOYSA-N 441.465 4.411 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)CCc2ccccc2OC(F)(F)F)cccc1[N+](=O)[O-] 727554705 WVXIFXSZBHBTHD-ZDUSSCGKSA-N 440.374 4.305 5 20 IIBD COc1cc(F)ccc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727587913 FGCQHSCRRPNGDJ-UHFFFAOYSA-N 442.369 4.115 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(OCCNC(=O)OC(C)(C)C)c2)c1 728258594 QDPHRHPLPVABEN-UHFFFAOYSA-N 447.513 4.473 5 20 IIBD Cc1nc(CCC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)oc1-c1ccccc1 730335503 KCYLZIMYJYEMMI-UHFFFAOYSA-N 443.843 4.326 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc(C)c1OC(F)F 730858440 YUOUPOLMZASIQK-UHFFFAOYSA-N 428.775 4.262 5 20 IIBD O=C(OCCOc1cccc([N+](=O)[O-])c1)c1cnn(-c2ncccc2Cl)c1C(F)F 730886485 OCOGCOOBAZXDPA-UHFFFAOYSA-N 438.774 4.002 5 20 IIBD CCCc1noc2nc(-c3ccco3)cc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)c12 731715602 KXEJMJXRRQAECE-UHFFFAOYSA-N 435.392 4.383 5 20 IIBD CS(=O)(=O)Nc1ccc(COC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cc1 732325223 LJECZANYANAGQC-UHFFFAOYSA-N 442.449 4.116 5 20 IIBD O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1cnc(-c2ccccc2F)s1 735348260 YLCXZPUGIADKIE-UHFFFAOYSA-N 443.412 4.012 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1csc(Cc2ccccc2F)n1 735557694 OOPMKNJNHGHSSW-UHFFFAOYSA-N 440.412 4.188 5 20 IIBD Cc1ccc(S(=O)(=O)N(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c2ccc(O)cc2)cc1 737326592 QYBGXQDHGRBVAQ-UHFFFAOYSA-N 446.868 4.298 5 20 IIBD CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C)n1nnc(-c2ccc(Cl)cc2)n1 741935141 WOQCMDDNGBJUPS-HNNXBMFYSA-N 435.271 4.453 5 20 IIBD C[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)no1 742936171 ODHCPGOGXCAHFG-LLVKDONJSA-N 427.848 4.364 5 20 IIBD Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)O[C@H](C)C(=O)N2CCCCCC2)n1 744499646 BAFUBMZRNRIEFK-CQSZACIVSA-N 449.554 4.459 5 20 IIBD O=C(O[C@@H]1CCCN(c2cccc(F)c2)C1=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 745565446 NNVUGSOUVLRRER-MRXNPFEDSA-N 426.322 4.105 5 20 IIBD C[C@H](OC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C(=O)N[C@H](C)c1cccc2ccccc12 746607759 PWNCUPACISVPDY-CABCVRRESA-N 440.427 4.075 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cc(Cl)cc(Br)c1 747134086 VPLNKKXCJKMZCP-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD C[C@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 747957848 CZMDJSOZUMDEKX-KBXBGSNASA-N 443.525 4.205 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)cc1[N+](=O)[O-] 748198925 SLOPSVLJUHYZKK-UHFFFAOYSA-N 446.419 4.267 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccc(Oc2ccccc2)o1 748913147 RNXVVPZFZOIUAF-CYBMUJFWSA-N 426.381 4.173 5 20 IIBD CC(=O)NC[C@H](OC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccccc1 749214691 ZEHFGXKIBFBBNI-MWTRTKDXSA-N 448.479 4.197 5 20 IIBD O=C(COC(=O)c1cccc(Cl)c1[N+](=O)[O-])Nc1c(F)cc(F)cc1Br 750532265 DJCFNDQBSRJMEC-UHFFFAOYSA-N 449.591 4.084 5 20 IIBD O=C1CSc2ccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3Cl)cc2N1 750830189 YTDAJXLVLYPPNJ-UHFFFAOYSA-N 442.678 4.307 5 20 IIBD COc1ccc(-c2nc(COC(=O)c3c(F)ccc([N+](=O)[O-])c3F)cs2)c(OC)c1 752557981 DLWSRIKSZPEUBH-UHFFFAOYSA-N 436.392 4.371 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 752980805 MJLBHNIAYKPVLZ-SNVBAGLBSA-N 438.665 4.002 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(Sc3nncs3)cc2)cc1[N+](=O)[O-] 753066752 UVVZVLFITBJSPH-UHFFFAOYSA-N 442.931 4.360 5 20 IIBD CCN(Cc1cccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c1)C(=O)C(F)(F)F 754109565 IFHUMRNRWNGNTH-LBPRGKRZSA-N 441.381 4.387 5 20 IIBD COC(=O)c1c(Br)ccc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c1C 754631518 LCMPDKQBWCVHDT-UHFFFAOYSA-N 443.200 4.183 5 20 IIBD CCCN(C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C1CCN(C(=O)OC(C)(C)C)CC1 755529431 HLBRTBZAIGBRJR-HNNXBMFYSA-N 437.512 4.476 5 20 IIBD O=C(COC(=O)c1cnc(Cc2ccccc2)s1)Nc1ccc([N+](=O)[O-])cc1Cl 756539597 JJEMCYNNTYBYMX-UHFFFAOYSA-N 431.857 4.091 5 20 IIBD Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 756727059 OPWSTUWINYWHKT-KBPBESRZSA-N 448.520 4.195 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ncc(F)cc2F)cc1)c1cc([N+](=O)[O-])ccc1Cl 757791969 OUPZDCNXEVEDJQ-UHFFFAOYSA-N 433.754 4.393 5 20 IIBD CN(C(=O)c1cccc([N+](=O)[O-])c1Br)[C@@H](c1cccc(F)c1)c1cnn(C)c1 758226327 MYUPLUBGOVSVLL-SFHVURJKSA-N 447.264 4.092 5 20 IIBD COc1ccc(C(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1Cl 758439318 ZNWVFKFBYLNNKI-LLVKDONJSA-N 436.804 4.210 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Oc2ccc(NC(=O)c3ccsc3)cc2)c1 758455957 XELDMGNXCURZFZ-UHFFFAOYSA-N 432.479 4.293 5 20 IIBD Cc1ncc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1Cl 758500853 YNDJMOVHSSSYDM-QMMMGPOBSA-N 432.647 4.442 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1SCc1ccccc1 759130728 BJZFPUKWTHGXDA-UHFFFAOYSA-N 435.505 4.185 5 20 IIBD CO[C@H](C)c1nc(CN2CCCN(c3ccc([N+](=O)[O-])cc3OC(F)F)CC2)cs1 760559171 GTMQBEXRECWMID-CYBMUJFWSA-N 442.488 4.072 5 20 IIBD O=[N+]([O-])c1ccc(OCc2nc(Cc3cc(Br)ccc3F)no2)cc1F 761652743 KDPRLBWWFXPGJT-UHFFFAOYSA-N 426.173 4.188 5 20 IIBD C[C@@H](C(=O)OCC(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1cccc([N+](=O)[O-])c1 763401113 CZWMDUUVYLRTNW-GFCCVEGCSA-N 429.429 4.143 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1noc(-c2ccccc2C)n1 763811566 VOSWOVRPSJNQRY-UHFFFAOYSA-N 429.454 4.049 5 20 IIBD COc1ccc(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cc1C1CC1 766387042 FWMFSALVSLJMFA-IBGZPJMESA-N 426.469 4.294 5 20 IIBD Cc1nc(-c2ccccc2)ncc1C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 767624110 NMXPZHRWJQQVBW-ZDUSSCGKSA-N 440.843 4.198 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Oc2c(Br)cccc2OC)cc1SC 769717896 JDPAGXHBXDJLBL-UHFFFAOYSA-N 428.260 4.316 5 20 IIBD O=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)Nc1ccc([N+](=O)[O-])c(Cl)c1 770005530 FAMWCYZCQFBYKL-UHFFFAOYSA-N 449.176 4.285 5 20 IIBD COC(=O)c1sc2nc(/C(Cl)=C\c3ccc([N+](=O)[O-])c(OC)c3)nc(O)c2c1C 770567805 XLTBERGGHNFFHN-UXBLZVDNSA-N 435.845 4.146 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc([C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)n2)n1C 771463585 MOFSHXGWZFOYQY-SWLSCSKDSA-N 442.476 4.056 5 20 IIBD C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@H](O)c1c(Cl)cccc1Cl 771718487 QAVBCICIVQNAKX-BLVKFPJESA-N 438.311 4.354 5 20 IIBD O=[N+]([O-])c1cccc(-c2cc(NS(=O)(=O)c3ccc4nc(Cl)sc4c3)n[nH]2)c1 772829232 XEPTXBOVQCWRFL-UHFFFAOYSA-N 435.874 4.049 5 20 IIBD CC(=O)[C@H](Cc1c(F)cccc1F)OC(=O)c1sc(Br)cc1[N+](=O)[O-] 773602800 BNAUMAOBSWMUPP-LBPRGKRZSA-N 434.214 4.054 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2ccc(CO)c(F)c2)c2ccccc2)c([N+](=O)[O-])c1 773616278 ITVLIQWSXHPIHS-OAQYLSRUSA-N 438.411 4.071 5 20 IIBD COC(=O)[C@](C)(NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 776402112 BDHFVGWPDUBEJR-QGZVFWFLSA-N 431.659 4.373 5 20 IIBD CSc1cccc(C(=O)N2CCO[C@@H](c3ccccc3Br)C2)c1[N+](=O)[O-] 777136574 VXEVRMLZGANMHB-OAHLLOKOSA-N 437.315 4.293 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)c2cc3ccccc3s2)cc1[N+](=O)[O-] 777937925 RPFDXEDNLNRZJN-NSHDSACASA-N 435.483 4.027 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2ccoc2C)nn1CCO 779904269 CNOQOTALSXYZLT-UHFFFAOYSA-N 430.486 4.106 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 780475049 BCGUCRAQSYEPAX-HNNXBMFYSA-N 437.562 4.426 5 20 IIBD Cc1cccc(NC(=O)[C@@H](OC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(C)C)c1C 781736968 KLGIHKOQVFYIRS-NRFANRHFSA-N 443.456 4.259 5 20 IIBD O=C1NCC2(CCN(C(=O)c3cccc(Sc4ccc(Cl)cc4)c3[N+](=O)[O-])CC2)O1 781853052 KFZIIFLMRWBXCR-UHFFFAOYSA-N 447.900 4.114 5 20 IIBD CCO[C@@H]1C[C@H](OC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C12CCOCC2 786493179 JAOXJSQKKYVUKV-YADHBBJMSA-N 441.480 4.305 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(Cn2ccnc2[C@@H](O)c2ccc(F)cc2)cc1OC 786756161 ASLMMWLWLZEXKK-QRQCRPRQSA-N 443.475 4.494 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccccc1C(=O)NCc1ccco1 788503902 JWFUQRAGXHAFNB-ZDUSSCGKSA-N 443.456 4.376 5 20 IIBD O=C([C@@H]1C[C@H]1c1cccc(F)c1F)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791170060 ZSKXEDNDRUGPLT-QWHCGFSZSA-N 437.240 4.324 5 20 IIBD CCc1c(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cnn1-c1ccccc1C 792492980 NLSFCXCGDXJDEH-UHFFFAOYSA-N 434.500 4.005 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)OCc2nc(C(C)C)n[nH]2)cc1[N+](=O)[O-] 795235564 JIHALWBQJOAHJJ-UHFFFAOYSA-N 440.481 4.146 5 20 IIBD C[C@H](OC(=O)[C@H](C)[C@H]1OCCc2sccc21)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 796485041 AWAZTBMASXOFTH-VGTOOOLASA-N 438.889 4.130 5 20 IIBD CN(C)Cc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)ccc1Cl 799057598 SWPRYEKUVNIIJX-UHFFFAOYSA-N 430.661 4.464 5 20 IIBD CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 799378617 MEACPBOKTSWVJU-AWEZNQCLSA-N 440.928 4.085 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCCNC(=O)/C=C\c1ccccc1 800358474 JHDSZFXJYVNPOS-XFXZXTDPSA-N 427.526 4.045 5 20 IIBD Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)C(=O)Nc1c(F)ccc([N+](=O)[O-])c1C 800634099 WSBSIJXEMWNXGK-AWEZNQCLSA-N 427.354 4.099 5 20 IIBD O=C(Cc1noc(-c2cc([N+](=O)[O-])ccc2N2CCCC2)n1)Nc1ccc(F)c(Cl)c1 809462756 FLMLZSCDSYQCGX-UHFFFAOYSA-N 445.838 4.219 5 20 IIBD O=C(COC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)nc1Cl 811174853 YYNKNDZMBKITJD-UHFFFAOYSA-N 438.692 4.180 5 20 IIBD O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 812839212 KSMKMHCNWPMMNR-LBPRGKRZSA-N 438.267 4.063 5 20 IIBD O=C(Nc1ncn(Cc2ccc(Cl)cc2)n1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813037021 FFNFZYWKLOPMDR-UHFFFAOYSA-N 426.647 4.447 5 20 IIBD C[C@H](OC(=O)c1cccc(F)c1Br)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 814505862 AJIKBYZKSUAOML-VIFPVBQESA-N 436.193 4.464 5 20 IIBD CC(=O)N[C@@H](CC(=O)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc(F)cc1F 815215862 YTCQUNJFCWXBFX-KRWDZBQOSA-N 446.328 4.203 5 20 IIBD CSc1ccccc1NC(=O)CN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 857831599 KQODCYRBTSJTJS-UHFFFAOYSA-N 442.541 4.018 5 20 IIBD CC(C)[C@H](OC(=O)COc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1C(F)(F)F 915369094 SBJFGLUZVMSSIQ-SFHVURJKSA-N 440.374 4.199 5 20 IIBD O=C(OCc1nc(O)c2ccc(C(F)(F)F)cc2n1)c1cc(Cl)ccc1[N+](=O)[O-] 916597295 SBHYHPGIBMZYKD-UHFFFAOYSA-N 427.722 4.273 5 20 IIBD O=[N+]([O-])c1ccccc1CN(Cn1ncn(-c2ccccc2F)c1=S)CC(F)(F)F 917451010 QZZOPLDFSNGLCG-UHFFFAOYSA-N 441.410 4.473 5 20 IIBD C[C@H](OCc1ccccc1)C(=O)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 918634889 SNHXYNUXJPUAJC-GHTZIAJQSA-N 440.496 4.128 5 20 IIBD COc1ccc(NC(=O)COC(=O)CCn2c3ccccc3c3ccccc32)c([N+](=O)[O-])c1 919299870 OSKPTTUVFFTWBN-UHFFFAOYSA-N 447.447 4.283 5 20 IIBD Cc1c(OS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cccc1[N+](=O)[O-] 919927808 HEAGSIHIISNVKO-UHFFFAOYSA-N 430.413 4.062 5 20 IIBD Cc1ccc(-c2csc(NC(=O)c3cnn(C)c3-n3c(C)ccc3C)n2)cc1[N+](=O)[O-] 919991488 PGEPQQOBIMTWFU-UHFFFAOYSA-N 436.497 4.420 5 20 IIBD COc1ccc(C(=O)NCCCC(=O)Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])cc1 920331269 WTARHVQIJDSZMB-UHFFFAOYSA-N 434.448 4.386 5 20 IIBD COc1ccc(NC(=O)N2CCC3(CC2)CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c1 1123372659 YXMXOYUBPSSZTI-UHFFFAOYSA-N 448.520 4.248 5 20 IIBD COc1cc(Br)c2nc(Cl)nc(N3Cc4ccc([N+](=O)[O-])cc4C3)c2c1 1261128352 OMRPRCCJVLDRDQ-UHFFFAOYSA-N 435.665 4.483 5 20 IIBD Cc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cs1 1317805629 ZCESCFQQGHJLHS-UHFFFAOYSA-N 435.914 4.432 5 20 IIBD CC(=O)N1CCN(c2ccc(-c3nnc(-c4ccc5ccccc5c4)o3)cc2[N+](=O)[O-])CC1 1322305457 BKVPNXAGCCFNNA-UHFFFAOYSA-N 443.463 4.134 5 20 IIBD CC(C)c1ncc(C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)[nH]1 1323135345 HXBOJVLHZAYERR-UHFFFAOYSA-N 439.541 4.128 5 20 IIBD COc1cc(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc(Cl)c1OC 1337786500 RIOKOECNPZAKHX-UHFFFAOYSA-N 429.256 4.004 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)CC(F)(F)F)CCC2)cc1 1785792565 QSZUSNNXOKINDN-UHFFFAOYSA-N 435.402 4.224 5 20 IIBD Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(O)c([N+](=O)[O-])c4)cc3)CCC2)cn1 1790618602 IITPNCKVXMTYTR-UHFFFAOYSA-N 446.463 4.065 5 20 IIBD Cc1cscc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1C)C2 1797046946 JIQVYKUTNMZYBQ-MUJYYYPQSA-N 447.944 4.492 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C13CCC(CC1)CC3)C2 1800698849 HMZICIRLNDOXAU-QQHNYFIASA-N 443.519 4.265 5 20 IIBD C/C=C/C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)n[nH]1 1821294646 SJONVDJIJHHRNU-GIZXNFQBSA-N 431.880 4.162 5 20 IIBD C[C@H]1CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)CC1 1823616229 QKKYZUMXZBNMNS-BHIYHBOVSA-N 431.533 4.247 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@]2(C)C[C@H]2C)CC1 1830223361 IIHNTXIYTXQNAR-ZNSVGSLASA-N 445.535 4.322 5 20 IIBD CNc1ccc(C(=O)O[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 9924407 ACDWFMIEYUDJAQ-MRXNPFEDSA-N 433.464 4.088 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 10904002 IRYRDVSNVYPCLW-UHFFFAOYSA-N 446.290 4.384 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2csc(-c3ccc(F)cc3)n2)c([N+](=O)[O-])c1 11272377 VPAKFUAZXNVXTR-NSHDSACASA-N 445.428 4.050 5 20 IIBD C[C@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Br)c1 15644053 ZKGQMSRUKPDJCU-VIFPVBQESA-N 427.638 4.195 5 20 IIBD CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 15648269 QSRJACRDSOGTRQ-UHFFFAOYSA-N 429.782 4.156 5 20 IIBD CCCN1CCC(Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])CC1 18058425 NEUDRPSNIUIEEJ-UHFFFAOYSA-N 446.573 4.299 5 20 IIBD Cc1ccc(C(=O)OCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)cc1[N+](=O)[O-] 18972173 WPQUXEICUKBMFR-FQEVSTJZSA-N 428.441 4.166 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1nnc(C2CC2)s1 22738657 KIZZNDFYXIONQN-UHFFFAOYSA-N 446.492 4.358 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)Cn1cnc2sc(C)c(-c3ccccc3)c2c1=O 23642857 UVGVDXHTITZMIS-UHFFFAOYSA-N 434.477 4.289 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(OC)c1 25374903 RBFWUPSKBHKEDL-LLVKDONJSA-N 430.438 4.011 5 20 IIBD O=C(NC1CC1)c1ccc(NCCNc2ncc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])c1 26723128 VKGJPKGVZKIJMO-UHFFFAOYSA-N 443.813 4.078 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCCc1c[nH]c2ccccc12 29676548 ORWNEKXTPADOQB-UHFFFAOYSA-N 435.406 4.049 5 20 IIBD O=C(c1cnc2ccccc2c1C(F)(F)F)N1CCN(c2ccccc2[N+](=O)[O-])CC1 31417780 GNZUGSBOYRKERX-UHFFFAOYSA-N 430.386 4.124 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCc1ccc(COCc2ccccc2)cc1 32441807 XPDBMPUBGMWQGS-UHFFFAOYSA-N 446.912 4.444 5 20 IIBD CC(=O)N1CCc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)ccc21 60670934 ZXXGPHVOWFOJII-UHFFFAOYSA-N 430.464 4.368 5 20 IIBD O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 65126311 FNTGBKDKBVWADF-ZDUSSCGKSA-N 444.463 4.253 5 20 IIBD Cc1c(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cccc1C(=O)N1CCCC1 72052776 LCZPFHMPHAXESR-UHFFFAOYSA-N 439.515 4.338 5 20 IIBD COc1cc([N+](=O)[O-])ccc1OCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 72068057 XAOWWPDGBKABGB-OAHLLOKOSA-N 443.506 4.483 5 20 IIBD COc1cccc(Oc2ccc(CNC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cn2)c1 107968385 WEIYIYODGVGWAJ-UHFFFAOYSA-N 448.479 4.321 5 20 IIBD O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 115403282 MNLPBSJOVOOEQU-UHFFFAOYSA-N 433.449 4.091 5 20 IIBD CS(=O)(=O)c1ccc(N2CCC[C@@H]2c2cccc(Br)c2)c([N+](=O)[O-])c1 301066904 FSVCQWXXHXTMRK-OAHLLOKOSA-N 425.304 4.102 5 20 IIBD Cc1cc(C)n(-c2ccc([C@@H](C)Nc3c([N+](=O)[O-])cc(CO)c(C)c3[N+](=O)[O-])cc2)n1 301734170 GJVIQOGJSSQQRQ-OAHLLOKOSA-N 425.445 4.279 5 20 IIBD C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 303964687 PJECWIGUPBDPFK-HNNXBMFYSA-N 428.920 4.342 5 20 IIBD COc1ccccc1NC(=O)Nc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccc1OC 409851282 QBOYFUFIOMSCGY-UHFFFAOYSA-N 426.385 4.101 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@@H](c3nc(C)no3)C2)cc1 410079591 YKBAVNVDRDCXKE-OAHLLOKOSA-N 438.440 4.107 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@H](C)COc2cccc(F)c2)cc1[N+](=O)[O-])c1ccccn1 410087359 IBBCANCDKFUQGQ-CVEARBPZSA-N 438.459 4.499 5 20 IIBD COc1ccc(S(=O)(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c(Cl)c1Cl 427792915 BCELSBRGANOXPE-UHFFFAOYSA-N 431.297 4.264 5 20 IIBD Cc1cc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)ncc1Br 427845840 GBDRBKGDDXXHSR-UHFFFAOYSA-N 444.289 4.175 5 20 IIBD Cc1c(NC(=O)C(=O)N2CC3(CCC3)c3ccccc32)cc(Br)cc1[N+](=O)[O-] 430335885 BSKCHZLFIAVONO-UHFFFAOYSA-N 444.285 4.073 5 20 IIBD Cc1cc(Br)ccc1NC(=O)COc1c(Br)cccc1[N+](=O)[O-] 431217528 BMJKAEWQUSTJAG-UHFFFAOYSA-N 444.079 4.446 5 20 IIBD C[C@H](Cc1ccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1)C(=O)O 431992732 PUQITRABBZHYCZ-GFCCVEGCSA-N 436.414 4.475 5 20 IIBD CCOc1cc(NC(=O)N2CCC(c3ccnn3CC)CC2)c([N+](=O)[O-])cc1OCC 432909054 BYGRBKOXEJAWMZ-UHFFFAOYSA-N 431.493 4.020 5 20 IIBD Cc1ccc([C@H](NC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)c2ccccc2)cc1 435618416 SRWFPWSIJFOHDY-XMMPIXPASA-N 443.459 4.076 5 20 IIBD C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 436247470 UMFWVNGVGZBWAZ-IIDMSEBBSA-N 439.506 4.437 5 20 IIBD C[C@H](c1cccc(F)c1)N1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC1 436317506 KLGKZIASICMZQU-MRXNPFEDSA-N 447.485 4.479 5 20 IIBD O=C(c1ccc(F)c(I)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437125026 OEXNPRRFZMUYKN-UHFFFAOYSA-N 440.212 4.143 5 20 IIBD O=C(c1ccc(Cl)s1)N1CCC(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 437128250 MZJUIZFIEUEJOT-UHFFFAOYSA-N 447.944 4.353 5 20 IIBD CCN(CC)[C@H]1CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 437187205 XJOLQITYIPFBPF-SFHVURJKSA-N 430.936 4.417 5 20 IIBD CC(=O)Nc1cc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)ccc1C 439226912 RNCSIVIUQOEELW-UHFFFAOYSA-N 439.493 4.257 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)Cc1ccc(OC)c(OC(F)F)c1 439883413 TWKMFPDAUINAKH-UHFFFAOYSA-N 425.388 4.267 5 20 IIBD CCO[C@@H]1C[C@](O)(CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1(C)C 442750609 GQIBETINUICXRN-KNQAVFIVSA-N 430.526 4.042 5 20 IIBD Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444642393 WUPOTCQZNFTRLI-UHFFFAOYSA-N 427.873 4.486 5 20 IIBD O=C(NCC1CCN(C2CC2)CC1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 446442680 UAKRJDGWUNYJGD-UHFFFAOYSA-N 442.947 4.465 5 20 IIBD O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)n1 447532898 VUSDBMBRAVQYCB-IRXDYDNUSA-N 434.422 4.269 5 20 IIBD C[C@@H]1OCC[C@@]12CN(Cc1cn(-c3ccccc3)nc1-c1ccc([N+](=O)[O-])cc1)C[C@@H](C)O2 448376154 VWTDBKWWPMCNPX-HHJKRLRDSA-N 448.523 4.216 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N(CCC(F)(F)F)CC3CC3)n2C[C@@H]2CCCO2)c1 460896507 PKXZXPRGDPSIHU-KRWDZBQOSA-N 439.438 4.201 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1Cc2ccc(O)cc2C2(CC2)C1 462548686 HYVXLOXFNMRWQX-UHFFFAOYSA-N 435.402 4.195 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2CCS[C@H](C(C)C)C2)c([N+](=O)[O-])c1 463023195 HCOFPZUXEHMJSC-FQEVSTJZSA-N 428.510 4.190 5 20 IIBD CCN(CC)S(=O)(=O)c1cc(NCc2cc(OC)c(F)cc2[N+](=O)[O-])ccc1Cl 464090545 CVKLFRSOMCBYOT-UHFFFAOYSA-N 445.900 4.039 5 20 IIBD C[C@H]1C[C@H](c2ccccc2F)N(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 464229334 RAQFKAYIWZZUON-IFXJQAMLSA-N 427.432 4.032 5 20 IIBD O=C(COc1ccc(Oc2ccccn2)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464629379 PSYPFXQUCUGNAP-UHFFFAOYSA-N 449.463 4.231 5 20 IIBD CCC(CC)[C@@H](CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)N1CCCC1 465576320 MNWULGBLCDPBAS-JOCHJYFZSA-N 432.565 4.048 5 20 IIBD Cc1cc(Br)ccc1CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465877444 MWSVOJVYEAFZBL-UHFFFAOYSA-N 448.317 4.419 5 20 IIBD CNC(=O)[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 466790822 NTRQSBITJPJWRJ-QGZVFWFLSA-N 433.917 4.140 5 20 IIBD COC[C@@H]1CCCCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 466842877 SLYXMCFFAYTJIS-OAHLLOKOSA-N 443.466 4.105 5 20 IIBD Cc1c([C@@H](C)NCCc2ccccc2[N+](=O)[O-])nnn1-c1cccc(Br)c1 467978563 IXNQVKLXFSFEIL-CYBMUJFWSA-N 430.306 4.140 5 20 IIBD Cc1c(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)nnn1Cc1ccc(C(F)(F)F)cc1 468766685 AQUDCFPTRDKTOY-GFCCVEGCSA-N 433.390 4.053 5 20 IIBD Cc1ccc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1NC(=O)c1ccccc1 470308202 LFFIJNBOLVSLCN-UHFFFAOYSA-N 431.448 4.059 5 20 IIBD Cn1cnc([N+](=O)[O-])c1CNc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 470523308 SSUASBKSOYORMT-UHFFFAOYSA-N 437.353 4.351 5 20 IIBD O=C(N[C@H]1CSc2ccc(Br)cc21)c1ccc([N+](=O)[O-])c2cccnc12 470525219 FKYHRZWGEWHHDJ-AWEZNQCLSA-N 430.283 4.482 5 20 IIBD NC(=O)[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1cccc(Br)c1 475435943 SZQQHSLVFUBDLG-SFHVURJKSA-N 446.326 4.402 5 20 IIBD Cc1ccc(Br)cc1NC(=O)CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C 475556943 XLLHZDDAEUMWAC-UHFFFAOYSA-N 435.278 4.043 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 475634606 KHTXMTNFJDBXTJ-AWEZNQCLSA-N 431.880 4.143 5 20 IIBD COc1cccc(Cl)c1-c1noc(C)c1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 476275171 IZGODNDNSDRBAJ-UHFFFAOYSA-N 427.844 4.419 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H](CO)c2ccccc2)cc1[N+](=O)[O-] 483109488 QLVCCJIRKJVUFV-LJQANCHMSA-N 436.489 4.011 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1SC 484965838 AKUOVWQCYGBHJA-UHFFFAOYSA-N 429.542 4.241 5 20 IIBD O=C(Nc1ccc(OCc2ccccn2)c(Cl)c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 486905155 DNJXDYWUBBITED-UHFFFAOYSA-N 427.800 4.203 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(Oc3ccccc3)cn2)ccc1[N+](=O)[O-] 487327245 VHDKEYCURIHTCW-NRFANRHFSA-N 446.463 4.334 5 20 IIBD NC(=O)c1ccc(CSc2nnc(-c3ccncc3)n2C2CCCCC2)c([N+](=O)[O-])c1 488906984 DPNAMUYAIDSUMY-UHFFFAOYSA-N 438.513 4.145 5 20 IIBD O=C(Nc1nc2c(C(F)(F)F)cccc2s1)c1cc2c(cc1[N+](=O)[O-])OCCO2 489388957 KCUVHPGDVVALMH-UHFFFAOYSA-N 425.344 4.247 5 20 IIBD C[C@H](c1nc(-c2cccs2)no1)N1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 493000929 BOESDACQVKBIIR-CYBMUJFWSA-N 433.921 4.239 5 20 IIBD Cc1ccc(-n2cnnc2SCC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1C 493151507 KGBUSWNBYAEFEM-UHFFFAOYSA-N 437.525 4.076 5 20 IIBD O=C(Nc1ccccc1F)N1CCC[C@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 497580429 BUMLZAUVPFQVJQ-KRWDZBQOSA-N 440.475 4.169 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N(C3CC3)[C@@H](C)CS(C)(=O)=O)cc2[N+](=O)[O-])cc1 499332310 YBBXTQGXCTWNNT-HNNXBMFYSA-N 448.566 4.092 5 20 IIBD COc1cc([C@H](C)NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)ccc1OC1CCCC1 502575894 RCSUDPSYGRVCHS-INIZCTEOSA-N 442.516 4.397 5 20 IIBD CC[C@@H](C)n1c(Sc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])nnc1-c1ccccc1 504176222 PPEYSNNYQYLZMR-CYBMUJFWSA-N 432.527 4.379 5 20 IIBD COc1cc(C(=O)Nc2nnc(CC3CCCCC3)s2)c([N+](=O)[O-])cc1OC(F)F 504623257 XLDPSGJEGIMNMZ-UHFFFAOYSA-N 442.444 4.431 5 20 IIBD CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC1CCN(C(=O)c2ccccc2F)CC1 504921132 RDYGBQNLJNULGB-INIZCTEOSA-N 431.533 4.499 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](c1cncc(Br)c1)C1CC1 505385891 DXZZCDXUNPTMMN-SFHVURJKSA-N 433.306 4.088 5 20 IIBD COc1ccccc1CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1 509110043 LLWBRLRLHPJFLI-QFIPXVFZSA-N 436.512 4.185 5 20 IIBD CCOc1ccc(C2=CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)CC2)cc1 509498182 FTVCWAMBGAKIHP-UHFFFAOYSA-N 425.485 4.120 5 20 IIBD CCOc1cc(CNCc2ccoc2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 509566823 APSXFGKTBSGIFB-UHFFFAOYSA-N 440.452 4.322 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCNc1ccc(C(F)(F)F)cn1 509814761 VTVPYCRQSLTKSR-UHFFFAOYSA-N 439.438 4.431 5 20 IIBD CCOc1cc(NC(=O)N[C@@H](C)COc2ccc(F)cc2F)c([N+](=O)[O-])cc1OCC 510409600 FTTOXIXTXFLIBT-LBPRGKRZSA-N 439.415 4.259 5 20 IIBD O=C(Nc1cccc(COCc2ccco2)c1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 510429498 PQWVBHUPRKHPTJ-UHFFFAOYSA-N 436.468 4.259 5 20 IIBD Cc1c(Br)cc(C(=O)N(CCc2ccccc2)[C@H]2CCOC2)cc1[N+](=O)[O-] 510478332 LQNIZHOJASSILC-KRWDZBQOSA-N 433.302 4.140 5 20 IIBD C[C@H]1C[C@@H](c2ccccc2)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 511031633 RGKFIZKGHZXZSO-LRDDRELGSA-N 425.304 4.129 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)Cc1cccc(Br)c1)c1ccccc1[N+](=O)[O-] 511420844 HOLRVEDSIMHLLK-QGZVFWFLSA-N 449.301 4.099 5 20 IIBD COc1cc(C)ccc1Oc1ccc(Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])cc1F 511735113 PBGZITJXGFCWEI-UHFFFAOYSA-N 447.444 4.234 5 20 IIBD COc1cc(CN2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c([N+](=O)[O-])cc1OC(F)F 511781341 MSDSVUVBIARYEI-FGTMMUONSA-N 434.439 4.209 5 20 IIBD CC(=O)NCCN(Cc1ccsc1)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 512077087 NTOCHZRFKGJANV-UHFFFAOYSA-N 438.509 4.178 5 20 IIBD C[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1nc2ccccc2n1C(F)F 512246650 ZBZVRFBNGAAKPE-GFCCVEGCSA-N 426.383 4.016 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1n[nH]c(-c2ccccc2)c1Br 513342039 BJLWHIIJGQGWFY-UHFFFAOYSA-N 429.274 4.062 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2C(=O)N[C@@](C)(c3cccs3)C2=O)cc1OC 513640993 VFQMRASGDAZLQV-ASSNKEHSSA-N 447.513 4.057 5 20 IIBD CCOC(=O)CN(C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])[C@H](C)c1ccccc1 513903388 FBFGHBTWBYRGKG-CQSZACIVSA-N 432.498 4.092 5 20 IIBD CCOc1ccc([C@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c2ccccc2)cc1 514807664 BBMRACPTTHHSEZ-HSZRJFAPSA-N 443.463 4.094 5 20 IIBD C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1Cl 515441253 XWTKIPBNFWMMDT-AWEZNQCLSA-N 431.876 4.280 5 20 IIBD Cc1c(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)cccc1[N+](=O)[O-] 520764908 NAYWPZDKSJZZHE-UHFFFAOYSA-N 425.754 4.408 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])cn1)N(Cc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 521799818 VETCTJRKHJNRFB-UHFFFAOYSA-N 428.920 4.442 5 20 IIBD Cc1ccc(C[C@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c2ccccn2)cc1 522334329 XSHISNOMQSCCSV-NRFANRHFSA-N 427.464 4.198 5 20 IIBD COC(=O)[C@@H](C)CNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 522437805 TZAQLYLAKQSHIZ-LUYJPIOASA-N 439.493 4.061 5 20 IIBD COC(=O)CC1(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CCCCC1 530612825 YLIQRDOUAWSWNS-INIZCTEOSA-N 440.500 4.159 5 20 IIBD Cc1ccc(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c(O[C@@H]2CCOC2)c1 532074245 ZRJYZTHQAZDTEQ-HXUWFJFHSA-N 425.510 4.484 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCSC[C@H]1c1ccc(Cl)cc1 532981013 XKABVNLQZJPJLM-SFHVURJKSA-N 435.933 4.376 5 20 IIBD Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 534436099 NNDXMIDTDGURQJ-AWEZNQCLSA-N 446.529 4.391 5 20 IIBD COc1ccccc1[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccccn1 535556799 PNCCUPMNSAHWOG-LHSJRXKWSA-N 441.871 4.325 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccc(Cl)cc2)c2noc(C)n2)cc1SC 536536166 XIPWTEGRURDDOE-KRWDZBQOSA-N 448.888 4.190 5 20 IIBD CCSc1cc(Cl)ccc1C(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc12 537204598 VQXOJDOHUPXFEV-UHFFFAOYSA-N 431.905 4.145 5 20 IIBD COc1cc(F)c([C@H](C)NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])cc1OC 537220040 MTOZBMUWMVDIFK-ZDUSSCGKSA-N 425.416 4.304 5 20 IIBD Cc1sc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)nc1-c1ccc(F)cc1 537349979 YYWKXDKGHXHKLB-UHFFFAOYSA-N 442.472 4.255 5 20 IIBD CN(Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@H]1CCCC[C@H]1S(C)(=O)=O 537631345 SNUUEANVSIANGH-GHTZIAJQSA-N 436.505 4.314 5 20 IIBD C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 537943076 ABRKUFVJCIMBKT-WEBUEUPWSA-N 448.926 4.387 5 20 IIBD COc1ccc([C@@H](Cc2ccccc2C)NCc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1OC 538177462 WDNOFVHVKOMTOA-OAQYLSRUSA-N 449.507 4.093 5 20 IIBD CC[C@]1(C)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Sc3nc[nH]n3)cc2O1 538368500 BUMQLUIIZUPOBM-LJQANCHMSA-N 427.442 4.014 5 20 IIBD CCc1ccc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)n2)cc1 539549318 JQVGXRLHMQYYAQ-UHFFFAOYSA-N 438.509 4.370 5 20 IIBD COCCOc1c(Cl)cc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])cc1Cl 540255951 MARPEDJQPTXXPR-UHFFFAOYSA-N 428.272 4.002 5 20 IIBD O=C(Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)Nc1cc(C2CC2)nn1-c1ccccc1 540372506 RZFKEPIDJUPCIZ-UHFFFAOYSA-N 436.859 4.300 5 20 IIBD C[C@H](C(=O)N1CCCC[C@H]1CNC(=O)Nc1ccccc1)c1ccc([N+](=O)[O-])cc1F 541681472 DRYQXDSABFBUAA-YJBOKZPZSA-N 428.464 4.040 5 20 IIBD COc1ccc(CNC(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)cc1[N+](=O)[O-] 543040352 VOUCORSULUXWKM-UHFFFAOYSA-N 435.362 4.130 5 20 IIBD CC[C@H]1CN(c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])CCCO1 544004170 YNDPZEDAQVPLPB-KRWDZBQOSA-N 433.530 4.018 5 20 IIBD Cc1ccc(NCCCNC(=O)C(=O)Nc2cccc(C(F)F)c2Cl)c([N+](=O)[O-])c1 544527330 ZWJYSLNOLRAKGV-UHFFFAOYSA-N 440.834 4.051 5 20 IIBD Cn1ccc([C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c2ccc(Cl)cc2)n1 545108982 URPPMQVJBCSFGP-QGZVFWFLSA-N 449.692 4.264 5 20 IIBD COc1cc(OCc2nc(Cc3nc4cc(Cl)ccc4s3)no2)ccc1[N+](=O)[O-] 545596948 DEUFEULJBIXUSQ-UHFFFAOYSA-N 432.845 4.419 5 20 IIBD Cc1ccc(C(=O)N[C@@H](Cc2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)c2ccccc2)cc1 546258059 AEEOEUMJRWBOGM-FQEVSTJZSA-N 443.463 4.249 5 20 IIBD C[C@@H](Sc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C)C(=O)C12CC3CC(CC(C3)C1)C2 546525098 YATAVXGLKLJNOQ-HCVBEMKVSA-N 427.526 4.108 5 20 IIBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1csc(Cc2ccc(F)cc2)n1 550109630 DPQJDJOLMWBROL-UHFFFAOYSA-N 429.429 4.195 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1cccc(OC(F)F)c1 551428437 STAYOBRWFGFBQX-LBPRGKRZSA-N 435.427 4.310 5 20 IIBD CCCN(CC1CCCCC1)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 556511901 DOSQBUQVGUYILA-UHFFFAOYSA-N 426.311 4.115 5 20 IIBD CCCc1c(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])nnn1-c1cccc(Cl)c1 557076510 HMVYHMHJOMLPSM-UHFFFAOYSA-N 427.892 4.096 5 20 IIBD O=[N+]([O-])c1ccc(N[C@H]2CCc3sc(Cl)cc32)c(S(=O)(=O)N2CCCC2)c1 558598622 DFPZUOYODOISKL-ZDUSSCGKSA-N 427.935 4.194 5 20 IIBD CCN(Cc1ccc2ccccc2c1)C(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 566788909 CXGRJZSBAPTLKR-UHFFFAOYSA-N 439.899 4.109 5 20 IIBD COC(=O)c1ccc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c(OCC(F)(F)F)c1 568342721 MQRJVYBFRSCCJU-NSHDSACASA-N 426.347 4.065 5 20 IIBD O=[N+]([O-])c1cc(CN2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)ccc1Oc1ccccc1Cl 569044644 JSBOAEMDPBNNAC-DBVUQKKJSA-N 432.904 4.402 5 20 IIBD COc1cc(CN2C[C@@H]3CN(Cc4ccccc4)CC[C@H]3C2)c([N+](=O)[O-])cc1OC(F)F 574866719 ZMKMUXWSPMIULM-HKUYNNGSSA-N 447.482 4.159 5 20 IIBD Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1c1ccccc1Br 589236990 HZOWLLDNCMALJM-QGZVFWFLSA-N 428.290 4.494 5 20 IIBD CC(C)OCc1ccccc1CNCc1cc(I)cc([N+](=O)[O-])c1 589308830 PHYUNEAOIPBDNU-UHFFFAOYSA-N 440.281 4.414 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@H]3CC[C@](O)(C(F)(F)F)C3)cc2[N+](=O)[O-])n1 590433881 UGJLZDMQSPBTSE-MEDUHNTESA-N 447.460 4.087 5 20 IIBD COC(=O)CCNC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2 590884319 UIRYODJDUMBNJH-VKAVYKQESA-N 445.475 4.313 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 603572670 BAJDRUQQUMTLNL-QWRGUYRKSA-N 427.345 4.423 5 20 IIBD COc1cc(CCNC(=O)Nc2ccc(OC(F)F)c(Cl)c2)c([N+](=O)[O-])cc1OC 603646668 KCIMLZQVVKMUJK-UHFFFAOYSA-N 445.806 4.231 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 603999339 QBSZPPKTSAKKRD-OAHLLOKOSA-N 436.295 4.070 5 20 IIBD CC[C@H](C)[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)C(=O)N1CCC(Cc2ccccc2)CC1 609374165 RZRKPRLOCFCASQ-KKSFZXQISA-N 443.569 4.282 5 20 IIBD O=C(CCc1ccc(Br)cc1F)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 609453378 CPPBEXCKVNQTOY-UHFFFAOYSA-N 433.237 4.253 5 20 IIBD Cc1ccc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)cc1NC(=O)c1ccco1 609455789 GAPSXZALSPXSBS-UHFFFAOYSA-N 431.408 4.187 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)N3CCN(Cc4ccc(Cl)cc4[N+](=O)[O-])CC3)n2)cc1 609705306 SKHLIFYBSYWAHU-MRXNPFEDSA-N 441.919 4.485 5 20 IIBD Cc1ccc(NS(C)(=O)=O)c(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1 609762800 VETCPMMGZSXLNQ-UHFFFAOYSA-N 441.465 4.319 5 20 IIBD COc1cc(CCc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)n[nH]2)cc(OC)c1 609827220 DHDKPKYHUWXQTO-UHFFFAOYSA-N 430.848 4.026 5 20 IIBD COC(=O)c1cc(NC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)cc([N+](=O)[O-])c1 609837397 MNJBAHCZBYJLQN-UHFFFAOYSA-N 434.452 4.224 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCCC[C@H]3c3noc(C4CC4)n3)cc2[N+](=O)[O-])CC1 609974992 JEJWMGJZRARNGD-IBGZPJMESA-N 439.516 4.459 5 20 IIBD COc1cc(CN2CCCN(Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F 610133957 ZISZYZXDTBFCAZ-INIZCTEOSA-N 435.471 4.301 5 20 IIBD CCC1(O)CCC(Nc2ccc(C(=O)c3ccccc3C(=O)OC)cc2[N+](=O)[O-])CC1 611306240 AEPIZYDUETZDNS-UHFFFAOYSA-N 426.469 4.108 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NCC1(CO)CCC1 612385917 ATHOIXGHVVSKJR-SFQUDFHCSA-N 437.521 4.414 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(Cc1ccccc1)Cc1ccc(F)cc1 619494547 MRAQJCZXXNZBQS-UHFFFAOYSA-N 430.457 4.134 5 20 IIBD O=C(Nc1cccc(-c2nc(=O)o[nH]2)c1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 619652067 IWCUZVHDPUNXBE-UHFFFAOYSA-N 434.433 4.342 5 20 IIBD CC(C)(C)OC(=O)N1CCc2cc(Nc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])ccc21 726595299 PTKHBTVLNPWACD-UHFFFAOYSA-N 433.486 4.040 5 20 IIBD CC(C)(C)OC(=O)N1CCC(C(=O)NCc2cccc([N+](=O)[O-])c2)(c2ccccc2)CC1 727150518 TYZTVEQEQOHUKZ-UHFFFAOYSA-N 439.512 4.180 5 20 IIBD CCN(C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)[C@@H]1CCCC[C@H]1C 727323407 XNFWRJLXLWTOPF-IIBYNOLFSA-N 446.525 4.403 5 20 IIBD COc1ccccc1Cc1nn(CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)c(=S)o1 727418823 OCDSAYMZGCXIOU-UHFFFAOYSA-N 434.905 4.456 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2csc(-c3ccccc3Cl)n2)c([N+](=O)[O-])c1 727564168 VVFOZQWSULRLFC-UHFFFAOYSA-N 447.856 4.176 5 20 IIBD O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 727711227 QYUYUYCSATZRKQ-UHFFFAOYSA-N 440.868 4.325 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@H](C(=O)Nc2ccccc2F)C(C)C)cc1SC 728648965 CTZDQPYAKAJMRN-SFHVURJKSA-N 436.461 4.285 5 20 IIBD O=C(c1cc(F)ccc1F)C1CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 728896230 FTZNGJDYVARHCL-UHFFFAOYSA-N 426.423 4.289 5 20 IIBD CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 729545271 DPGFMMAPCCRXAS-LBPRGKRZSA-N 447.797 4.171 5 20 IIBD CCOC(=O)c1sc2ccsc2c1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 730558971 UNKXNGSGDUXJGX-UHFFFAOYSA-N 449.466 4.194 5 20 IIBD O=C(COC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)Nc1cc([N+](=O)[O-])ccc1F 730614070 RQHZPLBCOUUVMJ-OLZOCXBDSA-N 427.215 4.326 5 20 IIBD O=Cc1cccc(OCc2ccccc2C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)c1 731749387 WWDZEPTUVZLVKC-UHFFFAOYSA-N 449.415 4.210 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 732332272 TUQMQIPIBLDDDI-NSHDSACASA-N 447.419 4.489 5 20 IIBD CCCCOc1ccccc1COC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 732496647 DEBATHVOCCXNHN-INIZCTEOSA-N 432.498 4.183 5 20 IIBD CC(C)(C)OC(=O)N1CCC(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 733326982 HHKSGZKYSGPTEK-UHFFFAOYSA-N 432.546 4.455 5 20 IIBD O=C(OCCCN1CCCC1=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 733395731 VIYARDDFWFJXST-UHFFFAOYSA-N 431.876 4.030 5 20 IIBD CC[C@@H](OC(=O)c1ccc(I)c([N+](=O)[O-])c1)C(=O)c1ccccc1 738643704 BDBYDMIQTDKFCX-OAHLLOKOSA-N 439.205 4.018 5 20 IIBD Cn1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)cn1 741312172 SQNQFTBSTUMCOB-UHFFFAOYSA-N 431.857 4.173 5 20 IIBD Cc1cc(=O)c(C(=O)OCc2cc([N+](=O)[O-])ccc2Cl)nn1-c1cccc(Cl)c1 741567148 OFQINWHXTCWMER-UHFFFAOYSA-N 434.235 4.113 5 20 IIBD CCO[C@H]1C[C@H](Nc2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])C12CCC2 741749205 OUWQZYIFTSMODZ-RYUDHWBXSA-N 430.255 4.034 5 20 IIBD COc1ccc(Oc2cc(CNc3ccc([N+](=O)[O-])cc3N3CCOC3=O)ccn2)cc1 742393602 QASPJILZJTUWLZ-UHFFFAOYSA-N 436.424 4.359 5 20 IIBD O=C(OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCSc2ccccc21 744116012 GNNKFMXYDPAJAJ-NVXWUHKLSA-N 426.494 4.022 5 20 IIBD COc1ccc(CC(=O)OCc2cc(Cl)ccc2OC[C@H]2CCCO2)cc1[N+](=O)[O-] 744346931 WZIRHGSVVKUQQU-QGZVFWFLSA-N 435.860 4.101 5 20 IIBD O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 745747152 PMYCBHQDVZYNFB-HNNXBMFYSA-N 438.223 4.119 5 20 IIBD Cc1ccccc1-c1noc([C@@H](C)OC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 746057537 BKTWOKXGMBWYID-MRXNPFEDSA-N 436.468 4.474 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](c2ccccc2)C2CCOCC2)c(C(F)(F)F)c1 746671751 XZWIUFFFOSKJEL-SFHVURJKSA-N 444.431 4.060 5 20 IIBD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])ccc21 749933147 ILCYUWMVDDRSSF-UHFFFAOYSA-N 428.876 4.324 5 20 IIBD O=C(NC[C@H](O)c1ccncc1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 750476076 WLZBXAWYBWPMLO-SFHVURJKSA-N 429.885 4.258 5 20 IIBD C/C(=C\C(=O)N(C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(Cl)c1 750686600 HCMNKALSWQVWDO-DHZHZOJOSA-N 429.281 4.152 5 20 IIBD O=C(Nc1ccc(-n2cnc3ccccc32)nc1)c1ccc(Br)cc1[N+](=O)[O-] 750817112 JBASNHPLUUKQNM-UHFFFAOYSA-N 438.241 4.344 5 20 IIBD O=C(/C=C\c1ccc2ccccc2n1)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 752179051 WTSDCCKCYUIPDY-FNDLEWIFSA-N 431.448 4.004 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[C@H](Oc2ccccc2Cl)C1 752421630 VULHNATZBRBTHY-NSHDSACASA-N 443.656 4.443 5 20 IIBD Cc1cc(F)cc(C(=O)O[C@H](C)C(=O)N(c2nccs2)C2CCCCC2)c1[N+](=O)[O-] 752556688 CHVNCWWCDITSAH-CYBMUJFWSA-N 435.477 4.410 5 20 IIBD Cc1ccccc1[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)[C@@H](C)CO1 755013202 IKCKDASCDVOQQP-SJCJKPOMSA-N 437.265 4.407 5 20 IIBD C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br 755023167 ZRGATFBZMCEIEE-AFNXNYLOSA-N 443.294 4.067 5 20 IIBD C[C@@H](C(=O)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1F 755473098 SQCWJRGZZFUOTM-BMLIUANNSA-N 434.773 4.057 5 20 IIBD C[C@@H](OC(=O)CCc1cccc([N+](=O)[O-])c1)C(=O)N(c1nccs1)C1CCCCC1 756524014 CFFMMCGTEWEPAX-OAHLLOKOSA-N 431.514 4.282 5 20 IIBD CC[C@@H]1CN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@H]1NC(=O)OC(C)(C)C 757107084 INWBKHADFIFPNO-IIDMSEBBSA-N 445.520 4.331 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)nc1)c1cccc([N+](=O)[O-])c1 758516693 NROIMTTXOCSWGQ-XSFOEPMVSA-N 443.887 4.285 5 20 IIBD O=C(COC(=O)c1cc(Br)c(F)cc1F)Nc1cc(Cl)ccc1[N+](=O)[O-] 759028305 REANVFQOPLUUQH-UHFFFAOYSA-N 449.591 4.084 5 20 IIBD CN(C(=O)c1cccc(C(=O)O[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1)c1ccccc1 759954174 YEHIUACFSSHUMZ-SFTDATJTSA-N 448.479 4.409 5 20 IIBD O=C(OCCOc1cncc(Br)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 761305979 FJZHFDMEZSWJNS-UHFFFAOYSA-N 435.152 4.007 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H](c2noc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)n2)C1 761881912 TWNAOVVIPKILFH-CYBMUJFWSA-N 427.461 4.164 5 20 IIBD C[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](O)c1c(F)cccc1Cl 765203660 XHBKDFIXAIVVPQ-XTZNXHDOSA-N 431.247 4.048 5 20 IIBD O=[N+]([O-])c1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc3nc(Cl)sc3c2)cc1 765724938 MNQWTGOXSKKBCR-HNNXBMFYSA-N 441.943 4.294 5 20 IIBD O=C(Oc1ccccc1)N1CCCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 769301691 CMZMKEGZHIGHIA-UHFFFAOYSA-N 434.290 4.064 5 20 IIBD CN(CCOC(C)(C)C)C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 769322611 NFYRSHMGTKTDDE-UHFFFAOYSA-N 433.892 4.388 5 20 IIBD CC[C@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC[C@@H]1NC(=O)OC(C)(C)C 769486567 UTNDVASCCOTJTQ-HOCLYGCPSA-N 442.354 4.483 5 20 IIBD C[C@@H](OC(=O)c1cc(Br)ncc1[N+](=O)[O-])C(=O)C12CC3CC(CC(C3)C1)C2 769837520 ACLBYLFHFBHQOC-BHWZJQCCSA-N 437.290 4.083 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 771765408 NOXLYKXLBLFLAS-NWDGAFQWSA-N 446.426 4.381 5 20 IIBD C[C@@H](OC(=O)c1c(F)ccc(F)c1F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 772738121 VCUKAXZPCFSDDV-SSDOTTSWSA-N 436.264 4.215 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cn1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 772862182 TWNHOWHTJDVDCD-JTQLQIEISA-N 431.455 4.141 5 20 IIBD O=C(CCc1nnc(-c2ccccc2)o1)OCc1ccc(Br)c([N+](=O)[O-])c1 773380950 PERVYOWJPWTOOM-UHFFFAOYSA-N 432.230 4.083 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)CC2 773995713 ZRBYTKUWWIGVFW-NRFANRHFSA-N 429.476 4.354 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2C(=O)CCCC2=O)cc1 775480446 LGAVRBPBUFCHBX-UHFFFAOYSA-N 427.482 4.391 5 20 IIBD O=C(O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])[C@H]1CC(c2cc(F)ccc2F)=NO1 776131228 DWGPEHKOZNSYCQ-RTWAWAEBSA-N 439.374 4.094 5 20 IIBD O=C(c1cnn(-c2ccccc2)c1)c1cc(F)ccc1OC[C@H](O)c1ccc([N+](=O)[O-])cc1 776273808 ASVJWHYIWJZLKU-QFIPXVFZSA-N 447.422 4.263 5 20 IIBD CSc1cccc(C(=O)N2C[C@@H](CCN3CCCC3=O)c3ccccc32)c1[N+](=O)[O-] 776861507 VXDNIVREXQMJSC-OAHLLOKOSA-N 425.510 4.073 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)N(c2ccc(Cl)cc2)C(C)C)cc1[N+](=O)[O-] 777939762 UAOLYEPAQKFQFI-UHFFFAOYSA-N 427.866 4.030 5 20 IIBD COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)OCCn5c([N+](=O)[O-])cnc5C)(C4)C2)C3)cc1 779195812 CFWDNDPVMGIAIF-RDNZODCXSA-N 439.512 4.190 5 20 IIBD C[C@H](OC(=O)COc1ccc2oc3c(c2c1)CCCC3)C(=O)Nc1ccccc1[N+](=O)[O-] 779231810 YTJURPZCEUMXAY-AWEZNQCLSA-N 438.436 4.169 5 20 IIBD CC(C)(C)OC(=O)NC1CCC(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 780775259 DAMBDOJDUQVZTN-UHFFFAOYSA-N 435.524 4.247 5 20 IIBD C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 780961025 OQCRHQAWGWPXBG-HZPDHXFCSA-N 435.524 4.057 5 20 IIBD C[C@H](OC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C(=O)N[C@H]1CCCC[C@H]1C 781260268 QYOMHDBZFVGCSP-NQCMUKECSA-N 442.462 4.200 5 20 IIBD O=C(OCCOc1cncc(Br)c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 781505932 ATIFBEVDXMWLFL-UHFFFAOYSA-N 439.265 4.075 5 20 IIBD COc1ccccc1C1(CNC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCCC1 781605551 BZTXHENGDVORNE-UHFFFAOYSA-N 427.457 4.072 5 20 IIBD CC[C@H](c1ccccc1)c1nnc(SCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 783898881 QOLGAPKRYFAHIL-QGZVFWFLSA-N 433.511 4.086 5 20 IIBD CCOCN(C(=O)COC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1c(C)cccc1CC 784014519 CBVHWHUBHLITSN-UHFFFAOYSA-N 434.876 4.303 5 20 IIBD O=C1CC[C@H](C(=O)Oc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)n2cccc21 789405758 LZLDSYLWPBCHDV-HXUWFJFHSA-N 444.399 4.293 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 790557163 AUWIEJLFGDIDPV-LLVKDONJSA-N 430.238 4.117 5 20 IIBD C[C@@H](OC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1nnnn1C1CC1 791275475 FJFMOYMXRMIDCZ-LLVKDONJSA-N 429.820 4.280 5 20 IIBD CCc1nc2c(s1)[C@@H](N(C)C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)CCC2 793049498 FURIHTSFADESKW-INIZCTEOSA-N 444.557 4.386 5 20 IIBD CCOC(=O)c1ccccc1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1-c1cccs1 799751575 QDGDOISNWLUDDU-UHFFFAOYSA-N 433.463 4.268 5 20 IIBD Cc1[nH]c2ccccc2c1C1CCN(C(=O)C(=O)Nc2c(F)ccc([N+](=O)[O-])c2C)CC1 800599204 NRWYGAIQYCUMHZ-UHFFFAOYSA-N 438.459 4.177 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1 801962111 WRGMMKIPRAVFTP-GOSISDBHSA-N 427.411 4.213 5 20 IIBD COC(=O)c1cccc(-c2nc(COC(=O)c3cc([N+](=O)[O-])cc(C)c3F)cs2)c1 803462630 UZUULSIAQBGNEF-UHFFFAOYSA-N 430.413 4.309 5 20 IIBD COc1ccc(-c2ncc(C(=O)OCc3c(F)cc([N+](=O)[O-])cc3F)s2)cc1OC 803480861 UPXHJHNEOXHFOR-UHFFFAOYSA-N 436.392 4.371 5 20 IIBD C[C@@H](Cc1cncc2ccccc12)C(=O)O[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 805682020 NUIDEYNDTDMATN-UONOGXRCSA-N 425.416 4.031 5 20 IIBD O=C(Nc1ccc2c(c1)C(=O)OC2)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 808458690 WTRDTLPFXMWKPO-UHFFFAOYSA-N 433.207 4.010 5 20 IIBD CSc1ccc(C(=O)O[C@H](C)c2ccc(SCC(=O)N(C)C)cc2)cc1[N+](=O)[O-] 809074017 FYQZBBHDXYEWTC-CYBMUJFWSA-N 434.539 4.415 5 20 IIBD O=C(NC1(c2noc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)n2)CCCC1)c1ccccc1 809507857 SPGKOXAEYOKBEF-UHFFFAOYSA-N 447.495 4.444 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccccn2)c(Cl)cc1Cl 809805785 MTMFNHBBFIQDHA-SFHVURJKSA-N 438.292 4.365 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)C1 810947162 DFAMBKWOHPVQHU-OAHLLOKOSA-N 437.924 4.357 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc1[N+](=O)[O-] 812046053 XKSGXIDBRAJHTO-UHFFFAOYSA-N 426.410 4.122 5 20 IIBD COc1ccccc1N(C(=O)c1ccc(I)c([N+](=O)[O-])c1)C(C)C 813301560 GAVHPZPJLKKWRN-UHFFFAOYSA-N 440.237 4.263 5 20 IIBD C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 813613733 QNDDHPFGMCUWEF-BLVKFPJESA-N 435.402 4.465 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1ccc(N2CCCOC2=O)cc1 817312475 FCBXGKOWGCVFEO-WMZOPIPTSA-N 425.485 4.388 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1c1nc(-c2ccc(N3CCCCC3)cc2)no1 904611590 XKJRLNKFNOBODS-KRWDZBQOSA-N 437.456 4.205 5 20 IIBD CCCOc1ccc(/C=C2/N=C(c3ccc(OC)c([N+](=O)[O-])c3)OC2=O)cc1OCC 912754720 SBWIVQYRLQUQJG-LFIBNONCSA-N 426.425 4.135 5 20 IIBD C[C@@H](OC(=O)COc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1Cc1ccccc1 914911063 OXQSLXXQULGFPO-QGZVFWFLSA-N 434.448 4.135 5 20 IIBD COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)CCNc2ccccc2[N+](=O)[O-])c1 915874149 WXOIWZUZKRYVIY-UHFFFAOYSA-N 430.461 4.391 5 20 IIBD O=C(Cn1cc(Br)c([N+](=O)[O-])n1)N1c2ccccc2Sc2ccccc21 917569778 UZZQNIANUZKNMD-UHFFFAOYSA-N 431.271 4.383 5 20 IIBD Cc1cccc(N(C)C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1C 917829459 JWENHQMLMUSLQO-UHFFFAOYSA-N 440.477 4.256 5 20 IIBD CC(C)(C)OC(=O)Nc1cc(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)ccc1F 1116087230 CJAOQHQGZMQQIH-UHFFFAOYSA-N 434.424 4.281 5 20 IIBD O=C(NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 1261246112 BLVNVCYTNCPIIM-VKGMXUHCSA-N 445.523 4.096 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1cc(-n2cccc2)ccc1F 1318210879 BJJQFFJWFGAYFY-UHFFFAOYSA-N 440.250 4.088 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CNC[C@]2(O)CCN(Cc3ccccc3)C2)o1 1319053009 GHBHNIGXBHNLJT-HSZRJFAPSA-N 441.915 4.235 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](c3ccc(Cl)s3)C2)cc1SC 1319213631 CJQQPVGSDLLHOG-CYBMUJFWSA-N 428.919 4.254 5 20 IIBD COc1cc(COC(=O)c2csc(-c3ccco3)n2)c([N+](=O)[O-])cc1OCC(F)F 1320047240 IJZOGHWFCSODRH-UHFFFAOYSA-N 440.380 4.321 5 20 IIBD Cc1ccc(OS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c2c1[C@@H](C)CC2=O 1321804759 VBIOTQZTHIUDMO-JTQLQIEISA-N 440.271 4.123 5 20 IIBD C[C@@H](OC(=O)c1nc(C2CC2)n(-c2ccccc2)n1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 1322346722 LEJCFYXSPQKSFA-CYBMUJFWSA-N 446.423 4.021 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 1324313230 VETITUIXQLINPC-DLBZAZTESA-N 446.548 4.136 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3cc[nH]c4nccc3-4)CCC2)cc1)c1ccc([N+](=O)[O-])o1 1785748941 OSSBVZRIIQXILT-UHFFFAOYSA-N 445.435 4.077 5 20 IIBD CCc1nc(C(=O)Nc2ccc(C3(NC(=O)Cc4cccc([N+](=O)[O-])c4)CCC3)cc2)co1 1789846785 NSVFFIMTKZUZJW-UHFFFAOYSA-N 448.479 4.136 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccccc4[N+](=O)[O-])cc3)CCC2)on1 1792315664 NCQLXNRXFLAFEW-KPKJPENVSA-N 446.463 4.352 5 20 IIBD CC[C@H](C)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])c(OC)c2)[nH]n1 1815047637 RHXXRWIGRBROOO-WMLDXEAASA-N 443.504 4.069 5 20 IIBD O=C(CCC1CCC1)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)[nH]n1 1815051923 YRNRUNKJAWCYOD-IBGZPJMESA-N 443.479 4.343 5 20 IIBD CCC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)CCC1 1828478075 KTTODFLRZJAGFH-NRFANRHFSA-N 443.544 4.114 5 20 IIBD C[C@@H]1C[C@@]1(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830617973 HTEUZDUISVCIKC-ZFUCPZCZSA-N 431.508 4.013 5 20 IIBD CC(=O)Nc1ccc(C(=O)O[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)cc1 10870010 LZBYWGKQVFFZJD-QFIPXVFZSA-N 447.447 4.398 5 20 IIBD Cc1nc(-c2ccc(CCNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)s2)cs1 12396712 YAWVNQLIRQFHNI-UHFFFAOYSA-N 432.483 4.277 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2cccc(Br)c2)o1 21322380 NANCSJRDRXMUNQ-UHFFFAOYSA-N 449.286 4.447 5 20 IIBD Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1C 24007386 VRFBBTGDNZBVAT-QGZVFWFLSA-N 445.903 4.125 5 20 IIBD CSc1ccc(NC(=O)[C@@H](C)OC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 24184662 YGJYVPPEUDOFNX-OAHLLOKOSA-N 443.525 4.104 5 20 IIBD Cc1nn(CC(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)c(C)c1[N+](=O)[O-] 25486046 ODAIXONEPPTOIV-UHFFFAOYSA-N 426.285 4.477 5 20 IIBD COc1ccc(Nc2nnc(SCCC(=O)Nc3ccccc3[N+](=O)[O-])s2)cc1 26365869 MDILSULCPHZRCW-UHFFFAOYSA-N 431.499 4.319 5 20 IIBD C[C@@H](OC(=O)/C=C/c1ccc(O)cc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 28627935 ZEOYCCQWWHSCBE-UTSBKAFOSA-N 439.449 4.008 5 20 IIBD O=C(Nc1cccc(OCc2ccc(F)cc2)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 30391843 GPIITUZVPURUCL-UHFFFAOYSA-N 433.399 4.146 5 20 IIBD Cc1ccc(N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 60515444 ZMLYVMJSGIJNTE-UHFFFAOYSA-N 439.493 4.127 5 20 IIBD COc1cc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)ccc1N1CCCC1=O 64898743 PPDNCKBGDUYSIA-UHFFFAOYSA-N 438.465 4.106 5 20 IIBD CCCC[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 116555727 AZCOYAVAYLLWJI-GOSISDBHSA-N 430.530 4.184 5 20 IIBD Cc1ccc(CNc2cc(-c3ccc(Br)cc3)nn2CCO)cc1[N+](=O)[O-] 237809632 WBVAFJWILKKFIH-UHFFFAOYSA-N 431.290 4.134 5 20 IIBD C[C@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])c1cccc(N2CCCC2)c1 301574989 QAQQTHMNQXNLEZ-ZDUSSCGKSA-N 425.457 4.364 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2cc(Cl)ccc2Cl)cc1OC 409833137 MCUMDOYJFSIPBL-LLVKDONJSA-N 443.283 4.426 5 20 IIBD Cc1cc(NC(=O)c2cc(Br)c(F)cc2F)n(-c2ccc([N+](=O)[O-])cc2)n1 428293035 FEQNDLFIEKRBKC-UHFFFAOYSA-N 437.200 4.382 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N(CCc1ccccn1)Cc1cccnc1 431292829 BBHDPBJTGXQOAU-UHFFFAOYSA-N 441.285 4.032 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3ccc(SC)cc3OC)CC2)ccc1[N+](=O)[O-] 432576866 XRFYIHUWVSDWOD-UHFFFAOYSA-N 446.529 4.078 5 20 IIBD O=[N+]([O-])c1ccc2oc(CN3CCN(Cc4csc(-c5ccccc5)n4)CC3)nc2c1 434828427 CKMGRMYPIIKRED-UHFFFAOYSA-N 435.509 4.177 5 20 IIBD COc1cc(S(=O)(=O)Nc2c(C)cc(Br)cc2Cl)ccc1[N+](=O)[O-] 436024208 CUBUPLXPRACUEU-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3C[C@H](C)OC[C@H]3c3ccccc3)cc2)c(C)c1[N+](=O)[O-] 437382188 CVYCHLHKDSCEIW-AOMKIAJQSA-N 434.496 4.059 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 438783482 DCOKRXUUJPFIPV-AWEZNQCLSA-N 447.296 4.260 5 20 IIBD CCOc1cc(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)cc(OCC)c1OCC 440620876 XUNZKBUFQRLWBS-UHFFFAOYSA-N 425.441 4.591 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1ccc(Br)s1 443311477 LJASDRAVRXQAEH-SNVBAGLBSA-N 428.308 4.107 5 20 IIBD C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 444402904 VDZHEIFRFTYVGK-VBKZILBWSA-N 441.871 4.164 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 446087940 DACNZAYYMHBGAI-UHFFFAOYSA-N 446.301 4.157 5 20 IIBD CCOC(=O)[C@H](Cc1ccccc1Cl)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 446330327 IMIVCCMNFAPYDK-NRFANRHFSA-N 448.906 4.239 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCc2c(cnn2-c2ccccc2)C1 447666354 AKUURKZJHHRCKD-UHFFFAOYSA-N 439.344 4.392 5 20 IIBD Cn1ccc([C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c2ccc(Cl)cc2)n1 460248324 YIPXUOZFONPFQL-NRFANRHFSA-N 439.903 4.445 5 20 IIBD CC(=O)N(C)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Nc2ccccc2)cc1 460439598 ZJALQKIGWMJBQJ-UHFFFAOYSA-N 440.481 4.122 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@H]3Cc3ccccc3)n2C[C@@H]2CCOC2)c1 461367028 QIVXODGJMSNGFL-FPOVZHCZSA-N 433.512 4.101 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1 461425434 JAPZPXHOSOLGLY-OALUTQOASA-N 425.554 4.301 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 462338123 VVRVBQRUKXPPNF-GFCCVEGCSA-N 433.288 4.294 5 20 IIBD COc1ccc(CN(C2CC2)S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 462470559 DAJUZEMRTXYTEW-UHFFFAOYSA-N 431.297 4.264 5 20 IIBD COc1ccccc1NC(=O)C1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 463955445 OMORKZAYFMQLAK-UHFFFAOYSA-N 426.473 4.103 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 464256827 CJDOGMPGUQSBCR-QGZVFWFLSA-N 427.457 4.430 5 20 IIBD CNC(=O)CC1CCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CC1 466444125 QZYASZIYQLUZFD-UHFFFAOYSA-N 447.944 4.388 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C)c1ccccc1Oc1ccccc1 468886642 HJOGFRBCCWLGER-HNAYVOBHSA-N 437.500 4.497 5 20 IIBD C[C@@H]1OCC[C@]12CN(C(=O)c1ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c1)CCO2 470665241 BKCYRJQQKMYSET-QKKBWIMNSA-N 448.928 4.419 5 20 IIBD COc1cccc([C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)c2cc(F)ccc2OC)c1 471453776 VDUYPTHDBGZICP-QHCPKHFHSA-N 440.427 4.036 5 20 IIBD O=C(NCC1(CCOCc2ccccc2)CC1)c1ccc(Br)cc1[N+](=O)[O-] 471557243 GOLREXJEYYRSBN-UHFFFAOYSA-N 433.302 4.474 5 20 IIBD COc1cccc(C2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)CC2)c1 474282545 DBPUKVMNFQNMCU-UHFFFAOYSA-N 433.302 4.315 5 20 IIBD CCOC(=O)[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)Cc2ccccc21 475195608 XSQLSQBOZPTBTQ-HNNXBMFYSA-N 437.374 4.308 5 20 IIBD Cc1c(Br)cc(C(=O)N[C@@H](C)c2ccc(Br)cn2)cc1[N+](=O)[O-] 477793594 NSPHKALEBVGSNH-VIFPVBQESA-N 443.095 4.314 5 20 IIBD CCn1c([C@H]2CCCN2S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)nc2ccccc21 481345857 WWYWHQWSUDVWEL-LJQANCHMSA-N 428.514 4.107 5 20 IIBD CC(C)n1cc2c(n1)C[C@H](NC(=O)c1ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c1)CC2 481847785 PZSGDYWHFKAELF-FUHIMQAGSA-N 439.560 4.142 5 20 IIBD CCc1ccc([C@H]2CN(C(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])CCO2)cc1 482030084 CERAGNHJLKXLSD-LJQANCHMSA-N 438.402 4.312 5 20 IIBD CCOC(=O)c1csc([C@H]2CCCN2C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 482950534 PHIQQNFZHUNFGZ-BLLLJJGKSA-N 435.527 4.072 5 20 IIBD Cc1c(CNCc2cc(Br)cc(Br)c2N)cccc1[N+](=O)[O-] 483637366 ONYIWQMDBLJZMD-UHFFFAOYSA-N 429.112 4.300 5 20 IIBD Cc1cccc(COc2ccc(NC(=O)C(=O)NCc3cccc([N+](=O)[O-])c3C)c(C)c2)c1 483824810 RSTIIYNYDXXVOU-UHFFFAOYSA-N 447.491 4.354 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 484652021 IHBOSOOTYIGJBM-HNNXBMFYSA-N 449.492 4.216 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)N1CCN(C2CCC2)CC1 486775733 FQYHYORZZUCLIE-UHFFFAOYSA-N 428.920 4.171 5 20 IIBD Cc1ncc(CN2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCC(C)C)CC2)s1 488393321 SGBMYUYWCMAYAY-UHFFFAOYSA-N 434.587 4.066 5 20 IIBD Cc1ccc([C@H](CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)N2CCCC2)cc1 489625412 RREUBKKZTFGIAR-DEOSSOPVSA-N 436.556 4.073 5 20 IIBD CCN(C(=O)c1cc(NC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)ccc1Cl)C(C)C 490486005 UKCIWLQOXXERCK-UHFFFAOYSA-N 448.907 4.449 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1Cc1ccccc1 493917012 OJURYQKKVSPNKH-KRWDZBQOSA-N 447.491 4.319 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@H]1CCOC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 494540634 CXDAJRPZDACGFA-AWEZNQCLSA-N 442.859 4.102 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@H](CN1CCCC1)c1ccccc1 494719489 LTCVTJZCYPEABY-LJQANCHMSA-N 436.434 4.250 5 20 IIBD Cc1ccc(C[C@@H](C)C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 498244959 VSOHKROXBSOBKC-CQSZACIVSA-N 445.522 4.010 5 20 IIBD Cc1cc(=O)c(C(=O)Nc2ccc(F)cc2OC(C)(C)C)nn1-c1ccccc1[N+](=O)[O-] 498824356 JSJURHIPJSOSQG-UHFFFAOYSA-N 440.431 4.018 5 20 IIBD CCN(CC)CCn1c(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)nc2ccccc21 499152847 WRYOUVMUIIJUDZ-UHFFFAOYSA-N 432.484 4.087 5 20 IIBD CCCN(CCc1cccc(F)c1)C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] 499545888 LYKMUTKFVFGOEE-UHFFFAOYSA-N 426.391 4.439 5 20 IIBD CN(CCCN1CCCC1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 499911832 GVYLJRCXWWIBAW-OAQYLSRUSA-N 430.936 4.346 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCOC[C@H]2c2noc(C(C)C)n2)cc1[N+](=O)[O-] 501928098 YHJPAZWKTBUGCP-KRWDZBQOSA-N 448.545 4.453 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N(Cc1csc(Br)c1)C1CC1 502482716 ABODQEACYDQPLA-UHFFFAOYSA-N 440.319 4.302 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C3)cs1 503832160 SFTYEQMDFSZRAA-UHFFFAOYSA-N 449.579 4.019 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCCc1nc2ccccc2s1 507056546 ZRWMQFYDDUXDOQ-UHFFFAOYSA-N 438.431 4.384 5 20 IIBD COc1cc(C(=O)N(Cc2csc(Br)c2)C2CC2)c([N+](=O)[O-])cc1OC 507968123 OZORFQHFMIIUDJ-UHFFFAOYSA-N 441.303 4.241 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C 509361333 ZNJFPWOFGLJQHX-FQEVSTJZSA-N 425.464 4.177 5 20 IIBD Cc1ccc(S(=O)(=O)N(Cc2ccc(Br)cc2)C(C)C)c([N+](=O)[O-])c1 509790932 PRYYOBVXXCTNHK-UHFFFAOYSA-N 427.320 4.265 5 20 IIBD COc1cc(CN2CC[C@@H](n3ncc4ccccc43)C2)c([N+](=O)[O-])cc1OCC(F)F 510423411 FAAODIUXVGMTKW-MRXNPFEDSA-N 432.427 4.044 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 511119483 FADQFBVLTXPVMC-DEOSSOPVSA-N 435.549 4.305 5 20 IIBD CN(CCCOc1cccc(S(C)(=O)=O)c1)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 512270988 RCYINUPTWYYEAI-UHFFFAOYSA-N 444.509 4.159 5 20 IIBD CC(=O)N(c1ccc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1)[C@@H]1C[C@H]1C 516206681 BOSYASJEPAEOJE-SPLOXXLWSA-N 433.468 4.009 5 20 IIBD CC(C)n1ncc2c(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)nc21 520256028 VTWDWICVCBNOPY-UHFFFAOYSA-N 445.479 4.396 5 20 IIBD Cc1nn(CCC(=O)N(Cc2ccco2)C23CC4CC(CC(C4)C2)C3)c(C)c1[N+](=O)[O-] 522472204 GEAIWOLNTANSBZ-UHFFFAOYSA-N 426.517 4.389 5 20 IIBD CCCCc1nc(-c2ccc(OCCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)cc2)no1 522687761 YOMWPPMNLKNTEM-UHFFFAOYSA-N 438.440 4.364 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 522847505 VVIWBOCPMLUJCO-IBGZPJMESA-N 441.463 4.184 5 20 IIBD CN(CCOc1cccc(CNc2ccc3ncccc3c2[N+](=O)[O-])c1)C1CCOCC1 524412078 ICLDXBACEMAYHU-UHFFFAOYSA-N 436.512 4.245 5 20 IIBD Cc1nc(-c2cnn(C)c2)sc1C(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 524491666 MNJQWZMLGOIHGE-UHFFFAOYSA-N 447.476 4.244 5 20 IIBD Cc1cc(-c2ccccc2)ccc1NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 524514890 FQTSEYWPLLDFTP-UHFFFAOYSA-N 426.450 4.142 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 524590761 RLVDBJLOAYROLI-INIZCTEOSA-N 441.875 4.387 5 20 IIBD COc1ccc(C(=O)Nc2c(-c3ccc(Br)cc3)nc(C)n2C)cc1[N+](=O)[O-] 525036427 YEUNMNMSMABQIQ-UHFFFAOYSA-N 445.273 4.327 5 20 IIBD Cc1nc(-c2ccc(Br)cc2)c(NC(=O)Cc2ccccc2[N+](=O)[O-])n1C 525555321 NVCDIOVPMLHZQZ-UHFFFAOYSA-N 429.274 4.247 5 20 IIBD Cc1ccc(-c2ncccc2NC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)s1 527340836 JSKRSGHWZHQPKZ-UHFFFAOYSA-N 447.476 4.133 5 20 IIBD CN(C(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1)c1cccc([N+](=O)[O-])c1 533607976 UEJDNCQWMGYROZ-UHFFFAOYSA-N 442.273 4.092 5 20 IIBD Cn1c([C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)c2ccccc2)nc2ccccc21 535431650 QACUSAKHMHTVRQ-JOCHJYFZSA-N 429.480 4.113 5 20 IIBD O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 538243126 OQNMTEZPYRHBDZ-WIYYLYMNSA-N 429.904 4.111 5 20 IIBD O=C(Nc1ncc(Cc2cccc(F)c2)s1)c1cc([N+](=O)[O-])ccc1SCCO 538580817 HPLSVWIOBCTUMN-UHFFFAOYSA-N 433.486 4.118 5 20 IIBD O=C(O)COc1ccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1Cl 539572834 HQKGPDRJFBFXIX-UHFFFAOYSA-N 433.829 4.087 5 20 IIBD O=[N+]([O-])c1cnc(N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)c(Br)c1 539766049 MDNHAGRLTJGZHG-ZDUSSCGKSA-N 435.326 4.302 5 20 IIBD COCC[C@H](Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])c1ccc(C)o1 539773354 AXRHZRUWLPADCX-IBGZPJMESA-N 445.497 4.487 5 20 IIBD COc1ccccc1CN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1cccs1 541283338 XYIWJUFRXPPGBS-UHFFFAOYSA-N 446.550 4.141 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 542016193 GVLULMQFILASGZ-LJQANCHMSA-N 437.418 4.324 5 20 IIBD Cc1c(NC(=O)[C@H](C)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cccc1[N+](=O)[O-] 542016412 BZVRWFWPNZLUQQ-IFXJQAMLSA-N 437.418 4.323 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)[C@@H]2CCCC[C@H]12 542060104 AAXGFFYHWJSVNR-IPHXSNPTSA-N 443.525 4.046 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)cc1[N+](=O)[O-] 543008616 ALWBAIDLBQGKIF-JOCHJYFZSA-N 445.431 4.194 5 20 IIBD CN(c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 543484135 SCYMYQCVKUFCCD-NQIIRXRSSA-N 438.459 4.055 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccccc2C[S@@](C)=O)cc1[N+](=O)[O-])c1ccccn1 545817829 XBZCBYNBTNUCGA-LHEBDHONSA-N 438.509 4.294 5 20 IIBD Cc1ccccc1NS(=O)(=O)c1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 546258564 QBLIWYVFZPEMCK-UHFFFAOYSA-N 436.449 4.421 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 550398134 HZPRLYIALGFWOL-NVXWUHKLSA-N 446.345 4.306 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 550589981 YWASRWHYXYVDNF-INIZCTEOSA-N 435.274 4.476 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3cc(Cl)cc4c3OCC(=O)N4)cc2[N+](=O)[O-])CC1 553686677 MKIZTMJOYOMTTR-UHFFFAOYSA-N 444.875 4.068 5 20 IIBD O=C(CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1)NC(c1ccccc1)c1ccccc1 555481460 UVKUFOHAKQDEMA-UHFFFAOYSA-N 444.535 4.013 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1cc(F)c(F)cc1N1CCCCC1 562110092 NHGJMURCXOTWIE-UHFFFAOYSA-N 430.415 4.061 5 20 IIBD O=C(N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1cc2cc([N+](=O)[O-])ccc2o1 565968665 HUYVXBKGQQXEJB-HXUWFJFHSA-N 434.370 4.491 5 20 IIBD Cc1ccc2nc(COc3ccccc3-c3nc(Cc4ccc([N+](=O)[O-])cn4)no3)cn2c1 568443117 RMOXYBWEJOWWMW-UHFFFAOYSA-N 442.435 4.166 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(Cc2ccc3ccccc3c2)o1 575947486 UQBRPXHFEYTXJE-UHFFFAOYSA-N 438.465 4.085 5 20 IIBD COc1cc(Cc2noc([C@H](C)Cc3cncc4ccccc34)n2)c([N+](=O)[O-])c(OC)c1 580178406 WUIYIUPHROYPHV-CQSZACIVSA-N 434.452 4.480 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NC[C@H]2COc3ccccc32)cc1[N+](=O)[O-] 583230179 WEUNAEDBVNPLGN-INIZCTEOSA-N 448.500 4.454 5 20 IIBD CCOc1cc(NC(=O)C[C@H](NC(C)=O)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OCC 590646968 IHCDNZVIHUBOCR-INIZCTEOSA-N 449.891 4.252 5 20 IIBD O=C(Nc1ncc(Cc2cc(F)cc(F)c2)s1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 603737894 BLHRVOOVPOOCCF-UHFFFAOYSA-N 441.419 4.358 5 20 IIBD Cc1nccn1CCCNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 604176180 DUDLPXQHROETJI-UHFFFAOYSA-N 427.892 4.185 5 20 IIBD CC[C@H]1CCc2nc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)sc2C1 608804744 GVUUDUMQMNWSQV-KSSFIOAISA-N 442.541 4.118 5 20 IIBD CCC[C@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 608850983 HJIFQRIULDEEIH-INIZCTEOSA-N 433.390 4.466 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cc(C(=O)OC(C)C)ccc2Cl)cc([N+](=O)[O-])c1 608897054 QWXLMCONCMDJRI-UHFFFAOYSA-N 434.832 4.242 5 20 IIBD O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 609443955 AEDQGJLNOTUDDA-UHFFFAOYSA-N 427.289 4.082 5 20 IIBD CC(C)(C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl)c1ccc([N+](=O)[O-])cc1 610058950 FKBFVFPLYNQNKM-UHFFFAOYSA-N 430.814 4.168 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC(c2c[nH]c3ncccc23)CC1 610061648 NLQBFUFLVITFMU-UHFFFAOYSA-N 429.274 4.253 5 20 IIBD COc1cccc(Oc2ncccc2CNC(=O)CSc2ccc([N+](=O)[O-])cc2)c1 610156272 RJUBIXDTDYAIJD-UHFFFAOYSA-N 425.466 4.199 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O 611280867 ORXXTRQNEUUSDY-MRXNPFEDSA-N 435.402 4.074 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NC[C@@H]2CCO[C@H](C)C2)c([N+](=O)[O-])c1 611298621 GFCIXQKJCNOEFR-IAGOWNOFSA-N 433.530 4.037 5 20 IIBD COc1cccc(OC)c1Oc1ccc(CNc2ncnc3ccc([N+](=O)[O-])cc23)cn1 611702928 ZSMKHTTWXMFNGK-UHFFFAOYSA-N 433.424 4.355 5 20 IIBD Cc1nc([N+](=O)[O-])c(Br)n1CC(=O)Nc1cccc(Oc2ccccc2)c1 726431796 KUZXJCJPCSZINX-UHFFFAOYSA-N 431.246 4.293 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 727712160 RDYLFCIZNQHNMC-UHFFFAOYSA-N 435.823 4.297 5 20 IIBD COc1ccc(NC(=O)COC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 727928771 KOJRWUFVALLVHQ-OLZOCXBDSA-N 439.251 4.196 5 20 IIBD COc1ccc(CSCC(=O)OCc2cc(F)ccc2Br)cc1[N+](=O)[O-] 729707787 XFTHXFGAUNETGE-UHFFFAOYSA-N 444.278 4.482 5 20 IIBD O=C1OC(c2c(Cl)cccc2[N+](=O)[O-])=N/C1=C\c1ccc(OC[C@@H]2CCCO2)cc1 730957381 AOOTXYNDAGESEC-ZCQLHAAUSA-N 428.828 4.151 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl 730960410 SCQNAJGVMLYPJK-UHFFFAOYSA-N 443.193 4.474 5 20 IIBD CN(C)CCCOc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 732030360 BNSLLOOGGXNQJJ-UHFFFAOYSA-N 426.517 4.168 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H](c2c(F)cccc2F)N(C)C)CC1 734442582 APXYQVIKLVGUMY-NRFANRHFSA-N 446.498 4.142 5 20 IIBD O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C1(c2ccccc2F)CCCC1 735338672 VPYZNAYIHSPEMC-UHFFFAOYSA-N 428.416 4.087 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1sccc1S(=O)(=O)N1CCCCC1 735642666 DWHYCVZLPBGEMA-UHFFFAOYSA-N 444.918 4.012 5 20 IIBD Cc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)o1 737750609 FRVLXVJWOAZSBQ-QAPCUYQASA-N 429.448 4.132 5 20 IIBD C[C@@H](OC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 741179264 MELCXRAZLBGYLX-MRXNPFEDSA-N 425.462 4.487 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(OCCc2ccccc2)CC1 742593940 CZUIMIWSUDVDGA-MRXNPFEDSA-N 431.920 4.299 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)[C@H](O)c1c(F)cccc1Cl 748391155 IZRPYEGPBZUBEC-RBZFPXEDSA-N 435.883 4.230 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c(F)cc1F 748925616 DMJDKAKETLVOLF-VIFPVBQESA-N 432.301 4.384 5 20 IIBD COC(=O)[C@@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])Cc1cccc2ccccc12 749995466 AJZZFGMGELIXOQ-MRXNPFEDSA-N 426.856 4.163 5 20 IIBD CC(C)[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)C(=O)OC(C)(C)C 750904157 GFUWGDPRQTYKDX-ZDUSSCGKSA-N 435.702 4.107 5 20 IIBD Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)c3cc(F)cc(C)c3[N+](=O)[O-])C2)cc1 753454400 RDJVBYAHZRVBKW-MRXNPFEDSA-N 428.464 4.025 5 20 IIBD CCOc1cc(CSCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)ccc1[N+](=O)[O-] 754830338 AHZUCNYTWKRREB-UHFFFAOYSA-N 433.442 4.133 5 20 IIBD C[C@H]1CCCCN1C[C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 755006814 GPTYLZJDSMDECR-KBPBESRZSA-N 442.329 4.223 5 20 IIBD O=C(NCc1cn(-c2ccccc2)nn1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 755420945 LYQGNMLITHOFJL-UHFFFAOYSA-N 431.477 4.257 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NC[C@H]2CSCCS2)cc1[N+](=O)[O-] 755498500 KWLYMXFIXZSMTA-AWEZNQCLSA-N 448.591 4.126 5 20 IIBD O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cc(F)cc([N+](=O)[O-])c1Br 756428611 AKEZUPXKWUKNOB-CZUORRHYSA-N 441.228 4.286 5 20 IIBD C[C@@H]1C[C@H](N(C)C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCN1Cc1ccccc1 757264567 ZWGBYAKIWMYUAZ-VQIMIIECSA-N 430.936 4.443 5 20 IIBD C[C@@H](OC(=O)c1cncc(-c2ccccc2)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 758106036 BQDRWDRPTPUIEX-CYBMUJFWSA-N 425.828 4.494 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](N[C@@H]1Cc2cccc(O)c2C1)c1ccccc1 759705510 RCCAIHBLBVSGLG-VGSWGCGISA-N 437.883 4.391 5 20 IIBD C[C@H](C(=O)OCc1cc(=O)c(OCc2ccccc2)co1)c1ccc([N+](=O)[O-])cc1F 760231044 SMEOTXXKTRNJNG-AWEZNQCLSA-N 427.384 4.113 5 20 IIBD COc1ccccc1[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)c1ccccn1 760683745 SLFLHQPFOZGRPF-HXUWFJFHSA-N 436.424 4.043 5 20 IIBD CCc1ccc(OC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])c(OC)c1 761839899 OWAHAMLEOPPLPQ-UHFFFAOYSA-N 444.465 4.429 5 20 IIBD Cc1cc(C)c(N2C[C@@H](c3nc(CCNc4ccccc4[N+](=O)[O-])no3)CC2=O)c(C)c1 761968096 HDXQSESTTDWLSA-KRWDZBQOSA-N 435.484 4.078 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] 764600708 ZOFLESDSGPIWJA-SCLBCKFNSA-N 432.860 4.166 5 20 IIBD O=C(COC(=O)c1ccc(C(F)(F)F)nc1Cl)Nc1cc(Cl)ccc1[N+](=O)[O-] 766126662 PPGWGYCBGWQWRC-UHFFFAOYSA-N 438.145 4.111 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccc(Cl)c(Cl)c1 766225540 PGGIZWRIEWFWQN-LLVKDONJSA-N 448.262 4.484 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc([N+](=O)[O-])c1F 768269743 NIDBVQWCBMWSLT-UHFFFAOYSA-N 435.458 4.157 5 20 IIBD C[C@H](NC(=O)COC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccccc1Cl 770157233 QWKWVYQXBZJLSL-JTQLQIEISA-N 441.665 4.045 5 20 IIBD O=C(COC(=O)c1cc(Br)cc([N+](=O)[O-])c1)Nc1ccc2ccccc2c1 770158099 WUBCVPTZYROKER-UHFFFAOYSA-N 429.226 4.306 5 20 IIBD COc1ccc(CSCC(=O)O[C@@H](C)c2nc(-c3cccc(F)c3)no2)cc1[N+](=O)[O-] 771990053 OOJBGRJXFCYEPN-LBPRGKRZSA-N 447.444 4.330 5 20 IIBD O=C(OCc1noc(-c2ccc(Cl)cc2)n1)c1sc(Br)cc1[N+](=O)[O-] 773606147 PUAKMKDIVCHDGT-UHFFFAOYSA-N 444.650 4.479 5 20 IIBD CS(=O)(=O)Nc1ccc(OCCNC(=O)c2c3ccccc3cc3ccccc23)cc1 774242506 PQQPSKUVRNHUJD-UHFFFAOYSA-N 434.517 4.173 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)ccc1Cl 775160100 VIQAPYQVJNFYTC-UHFFFAOYSA-N 432.889 4.249 5 20 IIBD O=C(Nc1cccc(C(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])c1)NC1CC1 776138719 RUARXTVWEUXZQS-OAQYLSRUSA-N 432.436 4.220 5 20 IIBD O=C(C[C@@H]1C=CCCC1)NCCN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 777412621 GROAGQVMHKFTPR-GPLLRDDGSA-N 449.916 4.147 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)O[C@H]([C@H]3CCOC3)C(F)(F)F)cc2[N+](=O)[O-])C1 778030366 GMABKMSEPTVZBS-SCGCMHLBSA-N 430.423 4.201 5 20 IIBD O=C(O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])C(F)(F)c1ccc([N+](=O)[O-])cc1 778075526 XBUBOCOMKLUCBU-SFHVURJKSA-N 429.335 4.323 5 20 IIBD COc1cc([C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C(F)(F)F)cc(OC)c1OC 779328046 WGRGOUIOOCPTSE-MRXNPFEDSA-N 448.781 4.307 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cccc(Br)c1Cl 780130887 LGCHPNBQAYMGOF-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD O=C(C[C@@H](O)c1ccc(OCc2ccccc2)cc1)OCc1cc(F)ccc1[N+](=O)[O-] 781286252 XTLRESMOHYOJQX-JOCHJYFZSA-N 425.412 4.480 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 781339666 HYCLVNHHJFTUPE-CYBMUJFWSA-N 431.411 4.133 5 20 IIBD CC(C)S[C@H]1CCCC[C@H]1OC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 781493528 OXMTVZORIFOIKP-WBVHZDCISA-N 436.559 4.484 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCC(c2c[nH]c3cc(F)ccc23)CC1 781686793 WKXIGWVMFOWUBE-UHFFFAOYSA-N 440.431 4.462 5 20 IIBD CCCN1C(=S)N[C@@H](c2ccc([N+](=O)[O-])s2)C(C(=O)Nc2ccccc2OC)=C1C 782244112 FBAJMHKJJBQRKY-SFHVURJKSA-N 446.554 4.219 5 20 IIBD O=C(CN1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] 782525275 YGUNCSACZWCDHE-KRWDZBQOSA-N 443.809 4.279 5 20 IIBD O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 782538711 YPYYSPPPGQIYMS-LLVKDONJSA-N 447.211 4.050 5 20 IIBD CC(C)(C)c1ccc(C(=O)NCC(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])cc1 782630570 CDRQRTPXDCKFIU-QHCPKHFHSA-N 447.491 4.350 5 20 IIBD CCn1c(SCC(=O)OCc2ncc(C)c([N+](=O)[O-])c2C)nnc1-c1ccccc1C 789430414 KEYOAQVSDUCEQZ-UHFFFAOYSA-N 441.513 4.029 5 20 IIBD COC(=O)C[C@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1cccc(Cl)c1 790820808 GGJUGUMTIMIBTP-HNNXBMFYSA-N 429.231 4.004 5 20 IIBD O=[N+]([O-])c1ccc(Br)c2c1CN(Cc1ncc(Br)s1)CC2 792897758 MNSUZUHYRWMLIJ-UHFFFAOYSA-N 433.125 4.135 5 20 IIBD O=C(CCSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Nc1ccccc1[N+](=O)[O-] 799987929 NQNPLIXCYAANRG-UHFFFAOYSA-N 428.426 4.420 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 801248160 RAWADVGADAOVRT-UHFFFAOYSA-N 444.793 4.271 5 20 IIBD O=C(OCc1nc2cc(Br)ccc2o1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 803319862 PRNPACHHBLSVAZ-UHFFFAOYSA-N 443.213 4.041 5 20 IIBD C[C@H](OC(=O)c1cccc(C(=O)Nc2ccccc2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 803908418 BYALWRNHJVKRGL-HNNXBMFYSA-N 433.420 4.031 5 20 IIBD CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 804425364 OJYFZQJACJGFHV-UHFFFAOYSA-N 438.362 4.051 5 20 IIBD COc1ccccc1CN(C1CC1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 809809674 VSZARNVRCSXUEZ-UHFFFAOYSA-N 431.297 4.264 5 20 IIBD CC(C)(CCc1noc([C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)n1)[N+](=O)[O-] 812815324 JIIPCOVQZPLWSA-AWEZNQCLSA-N 427.288 4.342 5 20 IIBD CC[C@@H](C)n1ncc2c(C(=O)O[C@H]3CCN(Cc4cccc([N+](=O)[O-])c4)C3)cc(C)nc21 813171548 YVLFHPPKCOKYCI-APWZRJJASA-N 437.500 4.050 5 20 IIBD COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1Cl 813241999 KEOUFULTACNZIP-QGZVFWFLSA-N 435.864 4.461 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])C[C@@H]21 814123734 VWEACMOALCPVLC-SOLBZPMBSA-N 431.533 4.024 5 20 IIBD O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 814243030 BRMRJDRJKJPHGS-UHFFFAOYSA-N 432.476 4.089 5 20 IIBD CS(=O)(=O)c1cccc(Cl)c1C(=O)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F 815230614 QKAIAWVVZVZCRC-UHFFFAOYSA-N 437.779 4.028 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])c(F)c1)C1CCN(c2noc3ccc(Cl)cc23)CC1 815372925 FPXSMVSCFWBHID-UHFFFAOYSA-N 433.823 4.488 5 20 IIBD O=C(NCCCNc1ncnc2ccc([N+](=O)[O-])cc12)c1cc2cccc(Cl)c2o1 816448482 DRDMSHRRPWXDOL-UHFFFAOYSA-N 425.832 4.170 5 20 IIBD CCOc1cc(C(=O)OCc2coc(-c3ccc(OC)cc3)n2)c([N+](=O)[O-])cc1OC 874973649 QAXGKCDDDQBYTO-UHFFFAOYSA-N 428.397 4.023 5 20 IIBD O=C(Nc1cccc(C2SCCS2)c1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 913126992 WZKUKZJJMYUUCY-CYBMUJFWSA-N 447.513 4.204 5 20 IIBD CN(C)c1ccc(C(F)(F)F)cc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 915319199 KDBQXIKRNWISQE-UHFFFAOYSA-N 437.422 4.034 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)NS(=O)(=O)c2ccc(C3CCCCC3)cc2)c1 916813024 BJANSYKWVJECFI-UHFFFAOYSA-N 434.539 4.483 5 20 IIBD C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 917295805 FCHAQEZFRXCKDY-CQSZACIVSA-N 425.441 4.453 5 20 IIBD O=C(CCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(Br)cc1 918026295 HTTOVGZOAKXYPI-UHFFFAOYSA-N 441.669 4.161 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H](C)Sc2ccccc2Cl)c([N+](=O)[O-])c1 919506810 MIMHBNNGZPFTAJ-VXGBXAGGSA-N 438.889 4.308 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCc2[nH]c3c(Br)cccc3c2C1 919873895 LUNOCGQPBUGLQE-RMKNXTFCSA-N 426.270 4.437 5 20 IIBD Cc1ccc(S(=O)(=O)N(C(=O)c2cccc([N+](=O)[O-])c2C)c2ccc(O)cc2)s1 920151261 CAPKJRNIARRBGG-UHFFFAOYSA-N 432.479 4.014 5 20 IIBD Cc1c(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)nnn1-c1ccc(-c2ccccc2)cc1 1116154809 LXKXZYPKBZEXQB-UHFFFAOYSA-N 425.448 4.307 5 20 IIBD COc1ccc(-c2nnc(-c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)o2)cc1Br 1322611949 UWGUOGXKUIZQTO-UHFFFAOYSA-N 442.229 4.269 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1-c1nnc(-c2ccccc2NS(=O)(=O)c2cccs2)o1 1345707727 XWNXSROGODUMOP-UHFFFAOYSA-N 442.478 4.483 5 20 IIBD Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c(F)ccc([N+](=O)[O-])c2C)C3)cc1C 1799656357 PGPYZGZJFBCNDE-REPLKXPHSA-N 439.487 4.225 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C3CC3)cc1)C2 1800803447 VGPMVMHAFCQWIG-ACDBMABISA-N 449.507 4.052 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)[nH]n1)c1cccs1 1816345823 RIOBKBUWMNCXJA-INIZCTEOSA-N 443.460 4.138 5 20 IIBD O=C(COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])Nc1ccccc1C(=O)c1ccccc1 10748437 DZQZWEXWCWFCTM-UHFFFAOYSA-N 438.823 4.275 5 20 IIBD Cc1ccc(C(=O)c2ccccc2C(=O)O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 10863406 WYKYZUWFTJEYBK-MRXNPFEDSA-N 432.432 4.318 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)COc1cc(Cl)c(Cl)cc1Cl 11423298 CHQYKZUAXUVYKT-UHFFFAOYSA-N 447.658 4.424 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1csc(-c2ccc(Cl)cc2)n1 16457334 QAMSDVQDLSKPGV-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD Cc1cc(CSc2ccccc2C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)on1 16542608 NPVQCJYUBAHWQT-AWEZNQCLSA-N 441.465 4.368 5 20 IIBD CCOc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCN(CC)CC2)cc1[N+](=O)[O-] 19005544 UTGVSJYUOYLTRQ-UHFFFAOYSA-N 432.908 4.041 5 20 IIBD Cc1ccc(-c2csc3ncnc(Oc4ccc(S(N)(=O)=O)cc4[N+](=O)[O-])c23)cc1 26143232 WSAMGYTZLQNUHO-UHFFFAOYSA-N 442.478 4.015 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1 28423766 JDBYTPMJIHMAQQ-HSZRJFAPSA-N 436.439 4.447 5 20 IIBD Cn1ccnc1[C@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 29067126 LLFHSZDBWLSNIG-HSZRJFAPSA-N 441.491 4.460 5 20 IIBD NC(=O)c1ccc(SCC(=O)Nc2ccc(SC3CCCC3)cc2)c([N+](=O)[O-])c1 30510673 JPELSWRJFJYNIZ-UHFFFAOYSA-N 431.539 4.459 5 20 IIBD O=C(CCSCC(=O)Nc1ccc(Br)cc1)Nc1cccc([N+](=O)[O-])c1 59002769 CKXGULRTGWQKEO-UHFFFAOYSA-N 438.303 4.058 5 20 IIBD CCNC(=O)c1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)c1 60693975 LFUNUWNMUPPYSE-UHFFFAOYSA-N 449.463 4.075 5 20 IIBD O=C(c1ccc2c(c1)COC2)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 64393227 RAPYALOKXZILDK-UHFFFAOYSA-N 449.532 4.312 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H](c1ccccc1Cl)N(C)C 64721363 ATURODLEQLLVOY-PXAZEXFGSA-N 426.300 4.088 5 20 IIBD O=C(Nc1cccc(CN2CCCCC2=O)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 65016593 TWICGCJYWQCCIS-UHFFFAOYSA-N 436.493 4.483 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)c1 78416673 RBFJRZSNBCTZTC-UHFFFAOYSA-N 442.475 4.445 5 20 IIBD C[C@@H](OC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 104939157 HWCSLGJPAHALNE-KUHUBIRLSA-N 439.424 4.121 5 20 IIBD C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)c1cccc([N+](=O)[O-])c1 108282260 INJJXIFTOKEZJY-XIKOKIGWSA-N 436.295 4.384 5 20 IIBD C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 109217610 CQWUHXYZNUSNJU-AWEZNQCLSA-N 438.311 4.013 5 20 IIBD COc1cc(Br)cc(C)c1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 109270298 IJEKYWTUUBRBRN-UHFFFAOYSA-N 431.246 4.112 5 20 IIBD CC(C)n1c([C@@H]2CCCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])C2)nc2ccccc21 301335667 NTJHCUZHKQQBLN-MRXNPFEDSA-N 442.541 4.313 5 20 IIBD O=[N+]([O-])c1ccc2nc(NCc3ccc(Br)cc3N3CCOCC3)ccc2c1 301752871 JFINTMKRRHTABH-UHFFFAOYSA-N 443.301 4.354 5 20 IIBD O=c1c(Cl)c(N[C@@H]2CCN(c3ccc(Cl)cc3)C2)cnn1-c1ccc([N+](=O)[O-])cc1 302019002 MXEGAHKMFAZMTR-CQSZACIVSA-N 446.294 4.138 5 20 IIBD CCc1cc(Oc2cc([N+](=O)[O-])ccc2I)nc(-c2ccncc2)n1 302565883 WIDZOUXWUOJRDS-UHFFFAOYSA-N 448.220 4.406 5 20 IIBD Cc1cccn2cc(CNc3ccc([N+](=O)[O-])c(NCc4cn5cccc(C)c5n4)n3)nc12 302766577 AGJXKNQWWVGKGF-UHFFFAOYSA-N 442.483 4.126 5 20 IIBD C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 303189343 FHJMZLHNVFOVCJ-CQSZACIVSA-N 435.484 4.039 5 20 IIBD C[C@@H]1CCN(C(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)CC1(F)F 427576684 FSOPFURKJATPLM-CQSZACIVSA-N 431.439 4.009 5 20 IIBD COC(=O)c1sc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])nc1C(C)(C)C 430598208 RTBXZGFOKVBPAR-UHFFFAOYSA-N 442.291 4.150 5 20 IIBD CC(C)(NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C(=O)O 431446095 PKAFDIYNMKHOBL-KAMYIIQDSA-N 425.466 4.115 5 20 IIBD O=C(NCC1CCN(Cc2cccs2)CC1)c1cc(Br)cc([N+](=O)[O-])c1 431948555 FWRFUSUDDQYIAI-UHFFFAOYSA-N 438.347 4.061 5 20 IIBD CC(C)(C(=O)N1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1)c1ccccc1[N+](=O)[O-] 433104127 NDJQHEJFIQAESD-UHFFFAOYSA-N 444.919 4.292 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)Nc2ccc3ncsc3c2)cc1[N+](=O)[O-] 438795486 VJVNDUSPPYQGIV-UHFFFAOYSA-N 428.289 4.076 5 20 IIBD CCOc1ccccc1CN1CCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)[C@H](C)C1 441670381 ALXHRNDQBXAAJB-QGZVFWFLSA-N 426.517 4.349 5 20 IIBD CC(C)C(=O)Nc1ccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])cc1 441805134 PMLURYJGKZSXAE-UHFFFAOYSA-N 447.513 4.156 5 20 IIBD CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1 444236531 KPWKWRWWEFQVNV-HNNXBMFYSA-N 449.532 4.010 5 20 IIBD CN(C)c1cccc([C@@H]2CCCN2CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1 444251988 REEPXTZEEJLMKD-IBGZPJMESA-N 447.333 4.199 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@H]2Cc3ccccc3N(C)C2)cc1[N+](=O)[O-])c1ccccn1 444336655 ADANXMCPIAGJAR-ZWKOTPCHSA-N 445.523 4.201 5 20 IIBD COc1ccc2cc(CN(C)S(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc34)ccc2c1 463690737 SPRARSSBKPXXHQ-UHFFFAOYSA-N 437.477 4.126 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1Cc2ccccc2C[C@@H]1c1ccccc1 464213448 MWIBFCYNJVVQTG-UZUQRXQVSA-N 429.476 4.039 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1cc(O)nc2ccc(Br)cc12 466289268 PBEFNIWAPRSEAA-UHFFFAOYSA-N 436.649 4.195 5 20 IIBD CC(=O)NC[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C1 467431156 ZRCWZZFNJRVFON-HNNXBMFYSA-N 447.944 4.388 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N2C[C@@H](C)O[C@H](C3CC3)C2)cc1[N+](=O)[O-] 470694296 PXOQFDRPFILRCM-VLIAUNLRSA-N 440.521 4.187 5 20 IIBD CCCN1CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1=O 472908566 UAPXLODQUGJNCB-UHFFFAOYSA-N 431.876 4.125 5 20 IIBD O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCC(c2ccccc2C(F)(F)F)CC1 474879008 POIWBELBZOADPL-UHFFFAOYSA-N 445.401 4.214 5 20 IIBD COC(=O)COc1ccc(CN2CCC(=Cc3ccc(F)c(F)c3)CC2)cc1[N+](=O)[O-] 475111239 CSPNTKCYEZTPCF-UHFFFAOYSA-N 432.423 4.104 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)[C@@H]1CCN(c2ccccc2)[C@@H]1C)c1ccccc1[N+](=O)[O-] 475487510 NKHQGGWPOJOIEK-QFUCXCTJSA-N 439.512 4.009 5 20 IIBD O=C1CNC(=O)N1c1cc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)ccc1F 475626734 OHUGGCOSCAUKTR-UHFFFAOYSA-N 426.429 4.131 5 20 IIBD O=C(Nc1cnn(-c2ccc(Cl)cc2Cl)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 475771036 VXMZOYPWDKOYCH-UHFFFAOYSA-N 435.223 4.111 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3ccccc3COC(C)(C)C)CC2)ccc1[N+](=O)[O-] 477375200 JSZDITPOKTYASW-UHFFFAOYSA-N 441.528 4.271 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1nc2cc(F)c(Br)cc2s1 479137861 WJNHESQUIOBPQN-UHFFFAOYSA-N 446.279 4.048 5 20 IIBD O=[N+]([O-])c1ccc2nc(N3CCCN(Cc4csc(C5CCCC5)n4)CC3)[nH]c2c1 481165856 ATZSFIPKMNERDR-UHFFFAOYSA-N 426.546 4.298 5 20 IIBD Cc1c(CNC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)cccc1[N+](=O)[O-] 481484729 WIQAMXYVHMEETF-GOSISDBHSA-N 436.295 4.131 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(NC(=O)[C@@H](C)n2cccn2)c1 484492975 VIBQPBFHJVHJPN-CQSZACIVSA-N 439.497 4.355 5 20 IIBD COC(=O)[C@H](C)N(C(=O)c1cc(C)ccc1[N+](=O)[O-])c1ccc(Br)cc1C 484821258 NURWZOSRAPNDHB-ZDUSSCGKSA-N 435.274 4.182 5 20 IIBD CCOc1ccc(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1Cl 485151937 XEOXMSADQQDFGJ-UHFFFAOYSA-N 435.683 4.210 5 20 IIBD Cc1cc(C)c(NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)cc1Br 486597315 CUURHBZQLPFXAD-UHFFFAOYSA-N 430.262 4.116 5 20 IIBD CCN(CC)C(=O)c1cccc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 486753787 JWHBLIXZYHOQMR-UHFFFAOYSA-N 438.406 4.417 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@H](C)c2nc3ccccc3n2C(F)F)c(C)c([N+](=O)[O-])c1 486870849 WTDUVGNQQPCQQL-LLVKDONJSA-N 447.398 4.317 5 20 IIBD CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 487412154 QNBZONYURQAOCN-CQSZACIVSA-N 449.301 4.352 5 20 IIBD O=C(Nc1ccc(F)cc1OC1CCOCC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 488695496 KHWRCUGJJAEPDU-UHFFFAOYSA-N 429.448 4.488 5 20 IIBD C[C@H]1[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CCN1Cc1ccccc1 494081659 ZXWWBQJFTUEWET-NYHFZMIOSA-N 447.485 4.352 5 20 IIBD C[C@@H]1OCC[C@@]1(C)N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 494228094 SWDCOMAPQPOCTA-CYFNAFFESA-N 448.317 4.194 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)cc1[N+](=O)[O-] 495902538 NACVTTDNNJTTSF-IEBWSBKVSA-N 445.585 4.349 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1COc2cc(F)c(Br)cc21 500260377 MGXMSMYUAQFZJW-CQSZACIVSA-N 441.278 4.472 5 20 IIBD COCc1nc(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c(-c2ccccc2)s1 500796935 SQWGGUJXIKLSGQ-UHFFFAOYSA-N 438.509 4.369 5 20 IIBD CC(C)(C(=O)N[C@@H]1COc2cc(F)c(Br)cc21)c1ccc([N+](=O)[O-])cc1F 501686430 FYTZDDFPTOUILT-OAHLLOKOSA-N 441.228 4.163 5 20 IIBD CCCN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H](C)C(=O)Nc1ccccc1 502702748 CPGQACCHJNYURN-SFHVURJKSA-N 438.528 4.077 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CN[C@@H](CO)c3ccc(Br)cc3)cs2)c1 503259543 LTELIBVNJNMYQS-KRWDZBQOSA-N 434.315 4.304 5 20 IIBD C[C@H](c1ccccc1Br)N(C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 503588060 CJIPGGXCFVDEBC-CYBMUJFWSA-N 429.274 4.376 5 20 IIBD COc1ccc(NC(=O)CNc2ccc(Cl)cc2OCC(F)(F)F)c([N+](=O)[O-])c1 504091888 LLQZXFUBZRZDRV-UHFFFAOYSA-N 433.770 4.249 5 20 IIBD CCSc1ccc([C@H](C)NC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cc1 504720368 IBMUNAOTQGOJJU-HNNXBMFYSA-N 438.509 4.052 5 20 IIBD C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 504904379 WYQTXIPCZTZJMD-CYBMUJFWSA-N 432.402 4.375 5 20 IIBD Cc1ccc(NC(=O)C(=O)N2CCC(C)(c3nc4ccccc4s3)CC2)cc1[N+](=O)[O-] 506585946 JBNVUILSNYAZLL-UHFFFAOYSA-N 438.509 4.032 5 20 IIBD O=C(CCS(=O)(=O)Cc1csc(C2CCCCC2)n1)Nc1ccccc1[N+](=O)[O-] 507717008 YDVXWFGHOKXYDO-UHFFFAOYSA-N 437.543 4.043 5 20 IIBD CCOc1ccc(-c2nc(CS(=O)(=O)c3cccc([N+](=O)[O-])c3)cs2)cc1OC 509142878 YSIAJOLBUFXUGL-UHFFFAOYSA-N 434.495 4.100 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1 512037219 PCQZWYHZNAWZQV-GOSISDBHSA-N 438.914 4.386 5 20 IIBD C[C@@H]1CN(C(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1O 512101293 SRNJTFGZUIRWHZ-ABAIWWIYSA-N 426.416 4.218 5 20 IIBD Cc1cc(Br)cc(C)c1N1CCC[C@H](NCc2csc([N+](=O)[O-])c2)C1=O 513036651 NSNZWCGHRCNTSJ-HNNXBMFYSA-N 438.347 4.321 5 20 IIBD Cc1nn(-c2ccccc2)cc1CCCN[C@H](c1ccc([N+](=O)[O-])cc1)c1nccn1C 513665886 HZQKPDGTXZYDQY-HSZRJFAPSA-N 430.512 4.134 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)Nc2ccc3n[nH]cc3c2)cc1[N+](=O)[O-] 515528366 CSHNHBYEVZPFKG-UHFFFAOYSA-N 429.436 4.020 5 20 IIBD CC(=O)NCCCc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3C)n2)cc1 520014193 SSBHWAHDRRYVLU-UHFFFAOYSA-N 438.509 4.348 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 520768016 PNEWPRVJSOJYJK-UHFFFAOYSA-N 449.872 4.457 5 20 IIBD CC(=O)NC[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1 520773448 UFRIDPBVCJOVID-HNNXBMFYSA-N 447.944 4.388 5 20 IIBD C[C@@H](c1ccc(F)c(F)c1)N(C)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 521764753 HATNGGUBXLVPQE-VIFPVBQESA-N 435.246 4.017 5 20 IIBD O=C(Nc1ccc(N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl)c1ccco1 521839244 RWIGUDSNQDVCMV-SFHVURJKSA-N 440.843 4.311 5 20 IIBD CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c1 523956000 UCDXGRRDFCAXAB-CQSZACIVSA-N 433.892 4.318 5 20 IIBD Cn1cc(N2CCC[C@H](Sc3nc4ccccc4c4nc5ccccc5n34)C2=O)cn1 525623378 ZBQZJOADPMVPHT-FQEVSTJZSA-N 428.521 4.057 5 20 IIBD CCO[C@@H]1C[C@H](Nc2ccc(C(=O)c3ccccc3C(=O)OC)cc2[N+](=O)[O-])C12CCC2 525642382 OCUBWNPNLDQMDV-LEWJYISDSA-N 438.480 4.372 5 20 IIBD O=C(CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1)Nc1ccccc1-c1ccccc1 532921197 FHZDNPCZTCOLGT-UHFFFAOYSA-N 430.508 4.413 5 20 IIBD Cc1c(NC(=O)CCN(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)cccc1[N+](=O)[O-] 532959178 OKTWETQRMPFPDJ-UHFFFAOYSA-N 439.491 4.326 5 20 IIBD COc1ccc(-c2ccc(CNc3ccc(N4CC[C@H](N(C)C)C4)cn3)o2)c([N+](=O)[O-])c1 532984813 GFZATALWWLHDSS-KRWDZBQOSA-N 437.500 4.011 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccco2)cs1 534239356 ZWMLMMBMDHTXDA-UHFFFAOYSA-N 433.467 4.219 5 20 IIBD CCO[C@H](C)c1nc(CC(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cs1 537150320 OJOYSNBRAIQQMN-GFCCVEGCSA-N 432.527 4.478 5 20 IIBD C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 537934451 NWDXSNXWNLAIRC-JTQLQIEISA-N 443.308 4.065 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 539232620 LEEMPSZGLBBKDC-QGZVFWFLSA-N 432.480 4.445 5 20 IIBD CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@H]1CCCC[C@@H]1S(C)(=O)=O 539834268 PNWMSPDDTAVKOH-HKUYNNGSSA-N 426.922 4.296 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 541131401 GYVYVRGRQWBHQV-OCCSQVGLSA-N 428.436 4.154 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])Nc1nc2ccccc2n1CCc1ccccn1 543121009 GJDPFLCSUFQLPW-UHFFFAOYSA-N 433.493 4.313 5 20 IIBD C[C@@H](c1cccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1)N1CCOCC1 543143638 VVJKQQLEVUULIS-AWEZNQCLSA-N 435.933 4.372 5 20 IIBD O=C(NCc1cc(Cl)cc2c1OCC2)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 543514010 OZPFZJCERZYNOP-UHFFFAOYSA-N 430.766 4.054 5 20 IIBD COc1ccc(Cc2nc(Cc3ccc(OCc4ccncc4)cc3)no2)cc1[N+](=O)[O-] 545621842 QXBQRSKWCOBILR-UHFFFAOYSA-N 432.436 4.142 5 20 IIBD Cc1nn(C)c(-c2nc(-c3ccccc3-c3ccc(Cn4cccn4)cc3)no2)c1[N+](=O)[O-] 545624287 XRCLYUMNDMCBTH-UHFFFAOYSA-N 441.451 4.266 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F 545828597 ZZMWNJQKMZXFGM-UHFFFAOYSA-N 446.794 4.254 5 20 IIBD C[C@]1(c2cc3ccccc3o2)NC(=O)N(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1=O 549341967 LMKZRHXXJNKZON-LJQANCHMSA-N 433.342 4.327 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@@H]3c3ccc(Br)cn3)o2)cc1 550678291 DNCSJJACTOJWFZ-MRXNPFEDSA-N 430.262 4.139 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 554084741 YPDKMGUQZJONOX-UHFFFAOYSA-N 433.443 4.421 5 20 IIBD COc1ccccc1N(C(=O)c1cc(I)cc([N+](=O)[O-])c1)C(C)C 562320873 RKQJIBVTSFATKR-UHFFFAOYSA-N 440.237 4.263 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1cccc(Br)c1)C(C)C 571096026 SVZGABVQLDVATE-UHFFFAOYSA-N 448.317 4.295 5 20 IIBD CC(=O)N1CCN(c2ccccc2CNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 573890272 LLEIVPJEULSIFR-UHFFFAOYSA-N 426.517 4.053 5 20 IIBD O=C(NCCC1(O)CCOCC1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 581445057 IQDRREXGIUDTFE-UHFFFAOYSA-N 436.917 4.061 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(-c3nc([C@@H]4CN5CCC[C@]5(C)CO4)no3)cc2[N+](=O)[O-])C1 584747523 LCIFHZQLQAUTOB-VTHBDYCDSA-N 441.532 4.053 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2c2nc(Cc3cc(F)cc(F)c3)no2)ccc1[N+](=O)[O-] 589089627 GCRMWVRXVODPGV-SFHVURJKSA-N 428.395 4.133 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 590551282 VOJUAUBTPFYQDR-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD COc1ccc(Cl)cc1-c1nc(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n[nH]1 594215843 DVMVPMUTBKKJHY-UHFFFAOYSA-N 444.860 4.384 5 20 IIBD COc1ccc(CSCC(=O)N2CCc3[nH]c4ccc(C)cc4c3C2)cc1[N+](=O)[O-] 603575020 XCCIYWCZIAQPII-UHFFFAOYSA-N 425.510 4.211 5 20 IIBD CCOc1cc(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)c([N+](=O)[O-])cc1OCC 603651632 WOUFFDYGNPHYPL-HXUWFJFHSA-N 442.516 4.351 5 20 IIBD O=C(c1ccc(SCc2ccccc2)cc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 603874471 ALFCMYAFUZQWDX-UHFFFAOYSA-N 434.521 4.245 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc([N+](=O)[O-])c1 603990776 OQLKDENSWOLMNS-UHFFFAOYSA-N 439.468 4.040 5 20 IIBD COc1cc([C@H](C)NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OCCC(C)C 604035908 GJGWBBFANSVDIZ-INIZCTEOSA-N 436.530 4.209 5 20 IIBD CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 609187963 UENGKHQPBVDZNJ-IBGZPJMESA-N 447.919 4.223 5 20 IIBD CC[C@H](c1ccccc1)c1nnc(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)s1 609305625 VYDZBCWEFQOODW-MRXNPFEDSA-N 426.454 4.027 5 20 IIBD COc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c(Cl)c1 609372067 TWAQAWRNZHSDDX-UHFFFAOYSA-N 443.809 4.238 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCCc2ccc(C)nc2)cc1[N+](=O)[O-] 609531076 KHGVJZSWAYDECM-UHFFFAOYSA-N 435.505 4.224 5 20 IIBD CCN(C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[C@H](c1ccc(C)cc1)c1cccnc1 609580160 WCUYHNOBXKPHEE-JOCHJYFZSA-N 433.464 4.321 5 20 IIBD C[C@@H](Oc1ccccc1NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 609689584 OVPQUGIQJDMUDN-QGZVFWFLSA-N 433.464 4.032 5 20 IIBD O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609761248 DKHJGPKKBKOYOY-UHFFFAOYSA-N 429.436 4.301 5 20 IIBD CC(C)Sc1c(Cl)cccc1NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 610176085 SNBNXGPLVVUOJF-UHFFFAOYSA-N 428.919 4.405 5 20 IIBD O=C(NCCCS(=O)(=O)c1ccccc1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611202099 PDPGTIOBNVUBKN-UHFFFAOYSA-N 448.566 4.223 5 20 IIBD COc1cc(OC)c(C2CCN(C(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)CC2)c(OC)c1 612479124 WWWZRGIFSRSQJL-AWEZNQCLSA-N 446.475 4.269 5 20 IIBD COC(=O)c1cc(Br)ccc1NC(=O)c1cc(SC)ccc1[N+](=O)[O-] 612562115 YPYYBGJSDLVWID-UHFFFAOYSA-N 425.260 4.118 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1 619607649 NZJIMXPNCHEDSU-AWEZNQCLSA-N 426.498 4.458 5 20 IIBD O=C(NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 727029414 DWINLIGHDPIULI-SFHVURJKSA-N 439.299 4.097 5 20 IIBD O=C(COC(=O)C1(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl 727558281 AWERBWNATBILMZ-UHFFFAOYSA-N 442.777 4.481 5 20 IIBD Cc1ccc(-c2nnc(S)n2CCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 729338554 GVCDBESDHWUUKK-UHFFFAOYSA-N 439.541 4.278 5 20 IIBD CC(C)(C)OC(=O)Nc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1F 730446710 CTXQFYXZAWURHT-UHFFFAOYSA-N 444.463 4.043 5 20 IIBD O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(-c2nc3ccccc3s2)o1 731502143 KUHWWVDRPILBAE-QGZVFWFLSA-N 449.444 4.427 5 20 IIBD CC(C)[C@@H](c1ccccc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 732987379 DKROBYROEFODRG-KRWDZBQOSA-N 427.320 4.375 5 20 IIBD Cc1c(C(=O)OCc2coc(-c3cccc(Cl)c3)n2)nnn1-c1cccc([N+](=O)[O-])c1 733513372 KKTRJNRZAFICDB-UHFFFAOYSA-N 439.815 4.149 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 734974878 CEEMFXIHXQCEBA-CYBMUJFWSA-N 435.839 4.375 5 20 IIBD CN1C(=O)CC[C@@H](COC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@H]1c1cccc(Cl)c1 740602755 KRHXEJASKLTALB-LHSJRXKWSA-N 441.871 4.496 5 20 IIBD CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1C 744554735 VNFRPDHFHBZZLA-MRXNPFEDSA-N 441.484 4.161 5 20 IIBD Cn1c(C(=O)OCC(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)ccc1[N+](=O)[O-] 747493451 SJXIDIIKIJDEOZ-UHFFFAOYSA-N 429.816 4.175 5 20 IIBD CC(C)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2I)c(F)c1 748047552 QMQAFHDMSOOAIV-UHFFFAOYSA-N 444.200 4.378 5 20 IIBD CCCCCCNC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 748249309 GFVBMBVEAIEOOI-QGZVFWFLSA-N 444.557 4.267 5 20 IIBD C[C@@H](OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1nc2ccc(Cl)cc2n1C 750213074 FSNYZLLESFEXDF-GFCCVEGCSA-N 425.832 4.239 5 20 IIBD CCOC(=O)CC[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)C1 752220420 GSEKBSOADFOAMY-SFHVURJKSA-N 431.533 4.027 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 754490197 UFBBXABPENDQQX-CQSZACIVSA-N 442.472 4.066 5 20 IIBD Cc1ccc(Cl)c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1N 754564968 RSVKSNCBBQBEQU-SECBINFHSA-N 445.781 4.342 5 20 IIBD CC(C)Oc1cccc(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)n1 755166849 DNVKIVSZHMUMJJ-SFHVURJKSA-N 441.484 4.019 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CCC[C@@H](N2CCCCC2=O)C1 755317002 JUUQGWCBMQLLDD-LJQANCHMSA-N 445.585 4.494 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cccc(CS(=O)(=O)c2ccccc2)c1 756994154 QWIXDYXUXUVFQF-UHFFFAOYSA-N 444.896 4.152 5 20 IIBD Cc1ccc(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])cc1NC(=O)CN1CCCCC1 758464898 URLLNTOCZLGNPV-UHFFFAOYSA-N 428.464 4.027 5 20 IIBD C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 759838469 ZLNKVXWFOYLYEM-GFCCVEGCSA-N 429.816 4.251 5 20 IIBD CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] 760172885 PSHJGRYKBIMYLB-OAHLLOKOSA-N 445.686 4.459 5 20 IIBD Cc1ccc(NC(=O)c2cc3ccccc3cc2OC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 763145886 YSMIFRSIJNEGSY-UHFFFAOYSA-N 430.420 4.111 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCC(N(C)C)CC2)c(F)c1 765035572 TVKODAQTQNMEFW-GOSISDBHSA-N 442.535 4.472 5 20 IIBD CN(CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(C(F)(F)F)cc1C=O 765397295 JFAGZPGTUSNISL-UHFFFAOYSA-N 435.402 4.054 5 20 IIBD Cc1ccc(C(=O)Nc2ccccc2)cc1NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 768267680 WBOCOIPDNTXHTE-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)c1cc(F)c([N+](=O)[O-])cc1F 769496973 NSRCSBMCTZHSGK-UHFFFAOYSA-N 435.390 4.051 5 20 IIBD Cc1c(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])csc1Br 772455701 AESSXDSCFNXURV-UHFFFAOYSA-N 433.667 4.176 5 20 IIBD COc1ccc([C@@H](NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)C(F)(F)F)cc1 780302880 ILWGEOBQJBQJRF-CQSZACIVSA-N 433.180 4.399 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 780896189 GZWGJMPBYVDNBL-FUHWJXTLSA-N 449.551 4.447 5 20 IIBD CCC1(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCN(C(=O)c2ccccc2)CC1 781164012 HUDDYIFKDFJZKW-UHFFFAOYSA-N 429.904 4.197 5 20 IIBD Cc1cc(COC(=O)c2ccc(S(=O)(=O)Cc3ccccc3)cc2)ccc1[N+](=O)[O-] 781173922 ZSCLNSNEXYPONE-UHFFFAOYSA-N 425.462 4.234 5 20 IIBD Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 784038070 ITSDXZLBDKIKAJ-OAHLLOKOSA-N 449.847 4.278 5 20 IIBD CC(C)(NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 787340097 XTJZJNNEZRHZGO-UHFFFAOYSA-N 426.351 4.256 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)OCC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1F 787941296 YWJKQQZNFPPMNZ-JTQLQIEISA-N 429.231 4.383 5 20 IIBD O=[N+]([O-])c1cc(NS(=O)(=O)c2cc(Cl)c(Br)cc2F)ccc1F 788047959 NQSHWENYOOMSQJ-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD COc1cc(C(=O)N2CCC(=C3C(=O)Nc4cc(Cl)ccc43)CC2)cc([N+](=O)[O-])c1C 792312856 QTKUOMRTOSPVCS-UHFFFAOYSA-N 441.871 4.207 5 20 IIBD C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)NC(=O)OC(C)(C)C 792509322 MVFMNLVRALOBPA-AWEZNQCLSA-N 431.514 4.389 5 20 IIBD O=C(NC[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1)OCc1ccccc1 793298701 OABFKUUWKSBSPI-QGZVFWFLSA-N 449.454 4.335 5 20 IIBD CCC(=O)c1ccc(N2CCN([C@@H](C)c3nc(-c4ccccc4)no3)CC2)c([N+](=O)[O-])c1 795075674 RNKMNMZKHMTJHY-INIZCTEOSA-N 435.484 4.121 5 20 IIBD COc1c(Cl)cccc1NC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] 795520257 TYVBCMZCXXKSJA-UHFFFAOYSA-N 428.670 4.094 5 20 IIBD C[C@H](OC(=O)[C@@H]1Cc2ccc(F)cc21)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 796071076 DYDCGTRPTZWSTH-APPDUMDISA-N 441.440 4.068 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1 797606843 OKUVMOLYZIVCLI-GOSISDBHSA-N 426.473 4.074 5 20 IIBD CN(C[C@@H]1CCCN1C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])C(=O)OC(C)(C)C 798295717 WGGCKBIYVPBKAE-KRWDZBQOSA-N 440.500 4.128 5 20 IIBD CC(C)(COCc1ccccc1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 799053261 PATCCKSPIFGEKP-UHFFFAOYSA-N 425.254 4.222 5 20 IIBD C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)cc1Cl 801826228 MYRRYLMIQKTPDG-LLVKDONJSA-N 434.855 4.236 5 20 IIBD CCOC1CC(COC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 802946447 QQKZCTVNVVMJQW-UHFFFAOYSA-N 430.423 4.188 5 20 IIBD Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)OCc2c(F)cc([N+](=O)[O-])cc2F)c1 803213912 ZCNNQUVNODVNDN-UHFFFAOYSA-N 448.451 4.214 5 20 IIBD O=C(Nc1ccccc1N=c1cc[nH]cc1)c1cc(F)cc([N+](=O)[O-])c1Br 807969127 KUCPGTLWKAVAMQ-UHFFFAOYSA-N 431.221 4.309 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(F)c3ccccc23)cc1[N+](=O)[O-] 808326155 MYISIMYQHLDMBR-LBPRGKRZSA-N 447.444 4.105 5 20 IIBD COc1cc(C)c(NC(=O)c2ccc(I)c([N+](=O)[O-])c2)c(C)c1C 809191239 PRZJILGUOKQFGS-UHFFFAOYSA-N 440.237 4.386 5 20 IIBD CC(C)(C(=O)OCCn1cc([N+](=O)[O-])cn1)c1csc(-c2c(F)cccc2Cl)n1 810709315 WWTHDMOUOIFQDL-UHFFFAOYSA-N 438.868 4.228 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N[C@@H](c1ccccc1)[C@H](O)c1ccccc1 811549740 XMLYCKIFOMJZTB-XZOQPEGZSA-N 435.436 4.027 5 20 IIBD Cc1ccc(-c2nn(CN(Cc3ccccc3[N+](=O)[O-])CC(F)(F)F)c(=O)cc2C)cc1 811733585 RLEYDPMJKKPWBF-UHFFFAOYSA-N 446.429 4.457 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@@H](Nc1ncc([N+](=O)[O-])c(N)n1)CC(C)(C)O2 811863066 OOEGLLFQFNKMPD-ZDUSSCGKSA-N 430.465 4.028 5 20 IIBD CC(C)S(=O)(=O)Cc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 812994019 FPWUHJSDPPRQRU-UHFFFAOYSA-N 431.297 4.477 5 20 IIBD Cc1nc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)ccc1-c1ccccc1 813277448 XMZIKWCZDINZOL-MRXNPFEDSA-N 434.427 4.096 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Oc1ccc(OCC2CC2)c(Cl)c1 816215874 PLZIXQPXJACHCX-UHFFFAOYSA-N 446.843 4.331 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC12CCC2 816856342 FCKNQHIUADFGAZ-AWEZNQCLSA-N 428.489 4.128 5 20 IIBD CC1(C)CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@@H](c2cccc(C(F)(F)F)c2)O1 817718647 QZDFWPJIBIAQEA-KRWDZBQOSA-N 441.381 4.327 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1OC 916413277 HYFQJVRYSUGXCB-OKILXGFUSA-N 447.463 4.007 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2N1 916967813 YMVAFBHJURPKGE-UHFFFAOYSA-N 442.519 4.391 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)OCC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 918861522 NETBPWZGRHPMRW-XGICHPGQSA-N 448.397 4.361 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)O[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c1 919111673 CRTFAGUHADMQLH-CQSZACIVSA-N 429.404 4.474 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1 919161287 CPFAIBMCYBMINS-AWEZNQCLSA-N 427.482 4.173 5 20 IIBD C[C@@H](OC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1cccc([N+](=O)[O-])c1 919286947 DKAUMQVYXYSQMN-CJNGLKHVSA-N 436.386 4.267 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@H](C)Oc1cccc(C(C)C)c1 919450487 MDHQABKBAQGKRL-CABCVRRESA-N 430.457 4.065 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1[N+](=O)[O-])c1ccccn1 919703115 SCWOZMVKQYQWRM-AWEZNQCLSA-N 433.424 4.274 5 20 IIBD C[C@H](OC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)c1ncc(-c2ccc(Cl)c(Cl)c2)o1 1116355629 GLOZEASAYOIHMX-JTQLQIEISA-N 438.223 4.023 5 20 IIBD COc1cc(C(=O)Nc2cc(C)c(Br)c(C)n2)c([N+](=O)[O-])cc1OC(F)F 1323646970 LJJVAASNMILQHC-UHFFFAOYSA-N 446.204 4.231 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(O)(Cc2ccccc2F)CC1 1324849545 BUOLGHNMRBGZPB-UHFFFAOYSA-N 432.517 4.444 5 20 IIBD Cc1nn(CCc2nnc(CCCOc3ccc(Cl)cc3Cl)o2)c(C)c1[N+](=O)[O-] 1341345512 WMSKINGHDPRSDT-UHFFFAOYSA-N 440.287 4.352 5 20 IIBD CC(C)(C)C(=O)NC1(c2ccc(NC(=O)Cc3cc([N+](=O)[O-])ccc3F)cc2)CCC1 1786672730 HIOUCJMKILWHNJ-UHFFFAOYSA-N 427.476 4.457 5 20 IIBD C/C=C/C=C\C(=O)NC1(c2ccc(NC(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2)CCC1 1790827400 JHMZJMONTXQTIH-ZPYFUIHZSA-N 445.479 4.351 5 20 IIBD C[C@H](Cc1ccccn1)C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1 1791763544 YDJFYJFUMJNONJ-MRXNPFEDSA-N 448.479 4.209 5 20 IIBD C[C@H]1CCC[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 1801206846 ALEJGFBUBPJBCD-QKRVRJICSA-N 441.553 4.498 5 20 IIBD CC[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2cc([N+](=O)[O-])ccc2F)C3)CC1 1802023996 YMTQOQZJCRLPBQ-FWIIZBITSA-N 445.535 4.131 5 20 IIBD CC1(C(=O)N2CCCC3(CCN(C(=O)C4(c5cccc([N+](=O)[O-])c5)CCC4)CC3)C2)CC1 1808897405 ILTNMMLFJDWBIF-UHFFFAOYSA-N 439.556 4.048 5 20 IIBD Cc1c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3CCC3)n[nH]2)cc(Cl)cc1[N+](=O)[O-] 1816672736 QZOQRFJLCOZANS-KRWDZBQOSA-N 445.907 4.386 5 20 IIBD O=C(c1sc2ccccc2c1Cl)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 1840965587 HLZGNDDSRYLKKY-UHFFFAOYSA-N 445.884 4.187 5 20 IIBD Cc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cc(Cl)cc([N+](=O)[O-])c3C)C2)c(F)c1 1845499834 NIVYRUYAPABUMD-UHFFFAOYSA-N 445.878 4.135 5 20 IIBD COc1ccc(NC(=O)CNc2ccccc2CN(C)C2CCCCC2)c([N+](=O)[O-])c1 7977078 ZPAIMKFFNCWSSB-UHFFFAOYSA-N 426.517 4.419 5 20 IIBD CSc1ccc(C(=O)OCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1[N+](=O)[O-] 9620916 AVKROVIWJKDRTH-UHFFFAOYSA-N 447.469 4.375 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1[N+](=O)[O-] 15312869 QUGIDAWHMOTILU-UHFFFAOYSA-N 431.514 4.029 5 20 IIBD O=C(Nc1ccc(Cl)cc1)c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 16128685 SPTBZWQRNQAILE-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1C(=O)O[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 18018099 PTPOAJHFDMMROE-LLVKDONJSA-N 447.419 4.489 5 20 IIBD Cc1nc(-c2ccccc2)c(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)s1 18765509 YGJHOAWFDSAABY-NSHDSACASA-N 429.429 4.350 5 20 IIBD Cc1nc(COc2ccccc2C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cs1 19485692 LSCNFVNBGNKMPZ-CYBMUJFWSA-N 441.465 4.123 5 20 IIBD O=C(COC(=O)COc1cccc2ccccc12)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 24770410 HHYTYDOIGJEMJW-UHFFFAOYSA-N 448.353 4.328 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1c(-c2ccccc2Cl)noc1C 28784677 CHDDXUODUGZTGN-UHFFFAOYSA-N 429.816 4.316 5 20 IIBD CS(=O)(=O)c1ccc(NCC2(c3ccc(Br)cc3)CCC2)c([N+](=O)[O-])c1 60452390 WDEBJHLXDVCXLC-UHFFFAOYSA-N 439.331 4.295 5 20 IIBD CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)NCc1cccc([N+](=O)[O-])c1 63069874 UJSLXCUENAZIAV-UHFFFAOYSA-N 425.272 4.072 5 20 IIBD O=C(Nc1ccccc1)c1ccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1 63951115 KAGOQEQCJYNEAK-UHFFFAOYSA-N 427.420 4.285 5 20 IIBD CCCNC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1Cl 64421340 YESHOFWVXMMUCT-NSHDSACASA-N 440.283 4.447 5 20 IIBD COc1ccc([C@H]2CCCCCN2C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)cc1 71833893 GUQDCOZFNBIWQL-OAQYLSRUSA-N 435.484 4.250 5 20 IIBD C[C@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)c1nc(C(C)(C)C)cs1 301190472 LYHZMXBXPAZINO-ZDUSSCGKSA-N 438.575 4.306 5 20 IIBD COc1ccc([C@@H](Nc2ccc(F)cc2[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 301456777 HRRKMJLSXFFZDG-OAQYLSRUSA-N 430.457 4.348 5 20 IIBD O=c1c(Cl)c(N[C@@H]2CCCOc3cc(F)ccc32)cnn1-c1ccc([N+](=O)[O-])cc1 302070968 VTIDIEXNTDRICP-MRXNPFEDSA-N 430.823 4.259 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@@H]1CCCOc2c(F)cccc21 426204918 IXSMMXVTAYGZMF-MRXNPFEDSA-N 427.354 4.466 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@H](c1ccc(Cl)cc1)c1cnccn1 426837795 YZDYSCANWDEDMN-JOCHJYFZSA-N 439.903 4.397 5 20 IIBD O=C(O)c1cc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)cc([N+](=O)[O-])c1 432102999 OBPJINMXSOJNTK-UHFFFAOYSA-N 439.811 4.451 5 20 IIBD CS(=O)(=O)c1cccc([C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])c2ccc(F)cc2)c1 434954028 FSCWDTKDCHUXMF-GOSISDBHSA-N 435.864 4.387 5 20 IIBD O=C(Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 435370976 KRYAVYPHNDRVGO-HXUWFJFHSA-N 446.511 4.065 5 20 IIBD CCn1cnnc1-c1cccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1 436088191 KORMTWNJVBVRCZ-UHFFFAOYSA-N 427.439 4.351 5 20 IIBD COc1ccccc1-c1noc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 437031523 IQOYIXCKGGNUPA-SNVBAGLBSA-N 436.346 4.163 5 20 IIBD O=C(Nc1ccccc1COc1ccccc1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 437043734 VZFHGDWCXMXRBZ-UHFFFAOYSA-N 445.475 4.304 5 20 IIBD COC(=O)c1cc(-c2csc(NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2)c[nH]1 437364602 LFXNCUDMFIOVQO-UHFFFAOYSA-N 440.359 4.104 5 20 IIBD O=C(CSc1ccncc1)Nc1c(Br)cc([N+](=O)[O-])cc1Br 440786881 UFFZCYAZJJWKFH-UHFFFAOYSA-N 447.108 4.246 5 20 IIBD CC(C)CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 443879903 GYNQTWPXDZSGEH-BLLLJJGKSA-N 447.479 4.070 5 20 IIBD O=C(Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])c1ccc(C(=O)NC2CC2)cc1 446427528 GJZAWORNJMIRCN-UHFFFAOYSA-N 431.448 4.318 5 20 IIBD CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 446534491 AECLTIPTEBRYIY-DNVCBOLYSA-N 449.515 4.143 5 20 IIBD COc1ccc(Cl)cc1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 446940230 DMKHDJOQJTYOCE-UHFFFAOYSA-N 438.811 4.096 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccnc(Oc3ccc(F)cc3F)c2)cc([N+](=O)[O-])c1 448451467 YHXVXHCFUFDMHT-UHFFFAOYSA-N 429.335 4.099 5 20 IIBD O=C(NCc1ccc(Oc2cccnc2)c(F)c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 460121300 OCORQEWWDQRVIO-UHFFFAOYSA-N 438.415 4.025 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1csc(Br)c1 462428197 BGQHELUKYGWCQB-UHFFFAOYSA-N 446.131 4.204 5 20 IIBD CCO[C@H](C)c1nc(CN2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)cs1 463075108 WYOZIHYVXXYNKU-OAHLLOKOSA-N 427.530 4.019 5 20 IIBD O=C1[C@H](N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCN1c1ccc(C(F)(F)F)cc1 464784327 XBUQIOCZBOEXTM-HXUWFJFHSA-N 449.429 4.262 5 20 IIBD Cc1noc(C)c1CSc1ncccc1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl 466291760 ZVWYGUUCCGLVIR-UHFFFAOYSA-N 432.889 4.470 5 20 IIBD O=C1CC2(CCN(C(=O)c3ccc([N+](=O)[O-])c(Sc4ccc(Cl)cc4)c3)CC2)CN1 466522980 RXHCHTQQVJUFCV-UHFFFAOYSA-N 445.928 4.142 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cc(COc2c(Cl)cccc2Cl)on1 467326077 MGFDBCMPNUJEPO-UHFFFAOYSA-N 436.251 4.441 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N(Cc1ccccc1)[C@@H](C)C(C)(C)C 468995451 OMSGPJDYLBZISL-HNNXBMFYSA-N 434.514 4.007 5 20 IIBD O=c1c(Br)cc([N+](=O)[O-])cn1CC/C=C\c1ccc(Br)cc1 474351418 LHFWRIKQYHYVRS-IWQZZHSRSA-N 428.080 4.385 5 20 IIBD CCc1nc2c(s1)[C@H](N(C)C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])CCC2 479087434 ALZWVVIHOYEWJP-GFCCVEGCSA-N 441.456 4.373 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1 479132767 JRFXYTVBFCZCMA-UHFFFAOYSA-N 433.386 4.176 5 20 IIBD COc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)cc(OC)c1OC 479397158 XTOGISSZHCXRKK-UHFFFAOYSA-N 434.514 4.299 5 20 IIBD COC(=O)c1csc(-c2cccc(CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])c2)n1 481899287 WJDQBVWNWIHZNZ-UHFFFAOYSA-N 431.857 4.088 5 20 IIBD Cc1cccc(OC(F)F)c1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 481967089 IQORSWSVXHIXMW-UHFFFAOYSA-N 437.218 4.068 5 20 IIBD CC(C)(C)[C@H](CN1CCc2ccccc2C1)NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 482132812 IHRLVVIKQDXANU-NRFANRHFSA-N 435.528 4.207 5 20 IIBD Cc1cc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])n([C@H]2CCN(Cc3ccccc3)C2)n1 484153573 BQZKUYQSDGDXFD-FQEVSTJZSA-N 447.539 4.463 5 20 IIBD O=C(c1ccc(-c2noc(C(F)(F)F)n2)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 486080421 ZCXNMLWLIZGLOJ-UHFFFAOYSA-N 432.358 4.468 5 20 IIBD COc1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])c(Br)cc1Br 486130661 STJFPFVVBSGTFM-UHFFFAOYSA-N 444.079 4.310 5 20 IIBD CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cccc(SC)c2[N+](=O)[O-])CC1 486255884 QTTFEHGQZXARMS-OAHLLOKOSA-N 446.548 4.089 5 20 IIBD CCOc1ccc(C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)cc1[N+](=O)[O-] 486351128 RSCCEZGWHKGETP-UHFFFAOYSA-N 426.448 4.228 5 20 IIBD C[C@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 486445104 LGILZEYJDMCIMS-AZYRPFHASA-N 438.505 4.402 5 20 IIBD CC(C)(C)Oc1ccc(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cn1 487355844 PKZKZFBWEVAJGG-UHFFFAOYSA-N 427.379 4.038 5 20 IIBD O=C(Nc1ccc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cc1)c1ccc(Cl)cc1 487769479 KNHRLGCHYSZXPZ-UHFFFAOYSA-N 439.811 4.482 5 20 IIBD C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1c1nc(O)c2cc([N+](=O)[O-])ccc2n1 488478949 NNZHYHCTKJZZGV-GTNSWQLSSA-N 434.374 4.229 5 20 IIBD O=C(NCc1ccccc1Sc1ccccc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 494873714 YWWDBGOSCHFBSH-UHFFFAOYSA-N 437.525 4.489 5 20 IIBD O=C(Nc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1)c1cccc(F)c1 498188409 SHIQOPJQTTYRRA-UHFFFAOYSA-N 444.422 4.464 5 20 IIBD COC(=O)[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])Cc1cccc2ccccc12 498625266 JRJJPCXSFRRNEA-INIZCTEOSA-N 426.856 4.163 5 20 IIBD CCOc1cc(C(=O)N(C)Cc2cc(Br)ccc2F)c([N+](=O)[O-])cc1OC 499160241 GIMIFWXULJRIAF-UHFFFAOYSA-N 441.253 4.176 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CC=C(c3ccccc3OCC)CC2)cc1OC 499284220 BKEHXWYQNQAQCR-UHFFFAOYSA-N 426.469 4.330 5 20 IIBD CC(C)Cn1nccc1NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 500953054 RUDQHFHKXHKZPK-UHFFFAOYSA-N 445.526 4.237 5 20 IIBD COc1cc(C(=O)Nc2cnn(CC(C)C)c2C)c([N+](=O)[O-])cc1OCc1cscn1 501358183 RYIAVQYMOAFPRK-UHFFFAOYSA-N 445.501 4.052 5 20 IIBD CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] 503783369 WSKSRJDLNXSVKC-UHFFFAOYSA-N 443.891 4.172 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)c1 505232940 LWEWZOZSRQTNPX-UHFFFAOYSA-N 434.477 4.167 5 20 IIBD CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc(O)cc([N+](=O)[O-])c1 505489829 WTFKCFDUCYAJPF-UHFFFAOYSA-N 426.256 4.098 5 20 IIBD CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)Cn2cccc([N+](=O)[O-])c2=O)cc1 507930602 YJAWEPGLMLSASP-UHFFFAOYSA-N 443.843 4.240 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(N2CCCCCC2)nc1 509295168 UEABOYMTFBHEKD-UHFFFAOYSA-N 425.533 4.490 5 20 IIBD COc1cc(C(=O)N(C)Cc2cccc(F)c2)c([N+](=O)[O-])cc1OCc1cscn1 509864112 JJDCQLTYJJBETM-UHFFFAOYSA-N 431.445 4.050 5 20 IIBD Cc1ccccc1[C@@H]([C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)N(C)C 510544859 JPJQYLYKQYRTNX-JLTOFOAXSA-N 434.334 4.016 5 20 IIBD CCC1(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)CCN(C(=O)c2ccccc2)CC1 512310608 YDCXYYAUXBSQOJ-UHFFFAOYSA-N 447.495 4.256 5 20 IIBD Cc1cc(NC(=O)Cc2ccc(F)c(Br)c2)n(-c2ccc([N+](=O)[O-])cc2)n1 515637074 DYNLABULESPMLE-UHFFFAOYSA-N 433.237 4.172 5 20 IIBD CCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 517763326 ITOAHZDGXLPQLN-UHFFFAOYSA-N 445.522 4.245 5 20 IIBD Cn1cc(C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)c(-c2ccc([N+](=O)[O-])cc2)n1 519939250 OREWMGRZTSTPML-UHFFFAOYSA-N 431.330 4.408 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1C 521415183 LJEIQBRDAIEHBF-INIZCTEOSA-N 445.541 4.281 5 20 IIBD COc1ccc(Br)c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 522206854 IFLGBTGFJKNGCX-SECBINFHSA-N 429.654 4.425 5 20 IIBD CCCCOc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 522572857 PTKNXUNDZTXQEG-OAQYLSRUSA-N 425.485 4.325 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc1[N+](=O)[O-] 524050505 VHKKPWHLJIMTPF-UHFFFAOYSA-N 439.902 4.105 5 20 IIBD O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1cc([N+](=O)[O-])cc2c1OCCO2 524167528 IVJAFFNNPFMYDW-UHFFFAOYSA-N 444.337 4.035 5 20 IIBD COc1ccc([C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)N2CCCCC2)cc1 524555888 YTHPMUZYRBYRJL-NRFANRHFSA-N 431.920 4.143 5 20 IIBD Cc1cc(C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)cc([N+](=O)[O-])c1 525072667 PEWFZGNRKCIFOL-UHFFFAOYSA-N 429.274 4.357 5 20 IIBD Cc1ccc(Cn2cccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])c2=O)cc1 532822854 WPIOYVIPOKOWSR-HNNXBMFYSA-N 441.871 4.173 5 20 IIBD CCOC(=O)C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(OC)c1 533327109 JJBMKOUQJCVNEK-QGZVFWFLSA-N 440.374 4.047 5 20 IIBD C[C@H](Cc1cc(Br)ccc1F)NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 534428609 NPRKBPOJPQZVHD-SNVBAGLBSA-N 448.248 4.111 5 20 IIBD CCc1c(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)noc1-c1ccc(Cl)s1 535234246 PQPFTJOPMSUASY-UHFFFAOYSA-N 443.890 4.337 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(Br)cc2C(F)(F)F)cc([N+](=O)[O-])c1 538443833 CEUQJOOPOBZLCE-UHFFFAOYSA-N 447.163 4.415 5 20 IIBD COc1cc(CCNC(=O)N2CC[C@@H](c3ccccc3)C[C@@H]2C)c([N+](=O)[O-])cc1OC 538527339 DYKQQIGCSJXHLV-FUHWJXTLSA-N 427.501 4.132 5 20 IIBD CC(C)C[C@@H]1C[C@@H](NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CCO1 540760814 RAPJZPCXTVGWHU-NZSAHSFTSA-N 426.517 4.486 5 20 IIBD COc1cc(CN[C@@H](C)c2nc(Cc3ccccc3)no2)c([N+](=O)[O-])cc1OC(F)F 541685371 PKWFYJOGOPHZGY-LBPRGKRZSA-N 434.399 4.029 5 20 IIBD O=C(Nc1ccc(Oc2nncc3ccccc23)cc1)c1cc2c(cc1[N+](=O)[O-])OCO2 543102045 WCVAQXZIIGLLRC-UHFFFAOYSA-N 430.376 4.311 5 20 IIBD C[C@@H](C(=O)NCCc1c[nH]c2ccc(Br)cc12)c1ccc([N+](=O)[O-])cc1F 544589711 ULQWZCJZHYQPML-LLVKDONJSA-N 434.265 4.440 5 20 IIBD CCN(C(=O)CSc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C)c1cccc2ccccc12 545108696 BCVMYULMJGZAEM-UHFFFAOYSA-N 448.504 4.140 5 20 IIBD Cn1ccc([C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c2ccc(Cl)cc2)n1 545112476 YMCQXIFFORMKED-HXUWFJFHSA-N 449.294 4.310 5 20 IIBD Cn1cnnc1Sc1ccc(-c2nc(CCCc3ccsc3)no2)cc1[N+](=O)[O-] 546509331 KZCBZIWGSJWXBC-UHFFFAOYSA-N 428.499 4.161 5 20 IIBD COc1ccc(Cc2noc(-c3cccc([N+](=O)[O-])c3C)n2)c(Br)c1OC 547071198 XEYWSKGSPCFVNW-UHFFFAOYSA-N 434.246 4.324 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)Nc1cccc(-c2cccc(Cl)c2)c1 551717420 NJHLDZJXBWVKSM-UHFFFAOYSA-N 439.855 4.179 5 20 IIBD Cc1c(Br)cccc1-c1noc(-c2cccc([N+](=O)[O-])c2N2CCOCC2)n1 554832416 QZANZUAJFFWUNQ-UHFFFAOYSA-N 445.273 4.219 5 20 IIBD CC(C)c1noc(Cc2ccc(NC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)cc2)n1 554950854 VGUQWMSPVMSPKP-UHFFFAOYSA-N 432.440 4.130 5 20 IIBD COCc1nc(CNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)cs1 558555663 MKFNHJKFOAJCLI-UHFFFAOYSA-N 446.916 4.393 5 20 IIBD O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 562246939 RLVVCTPRVCVKEI-UHFFFAOYSA-N 438.415 4.025 5 20 IIBD Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1cc(I)cc([N+](=O)[O-])c1 571112569 KXBJKGQDVKJPTR-UHFFFAOYSA-N 448.220 4.150 5 20 IIBD CC[C@H](C(=O)N1CCC(Nc2ncnc3sc([N+](=O)[O-])cc23)CC1)c1ccccc1 579153567 OGYBASJJDNQKQZ-INIZCTEOSA-N 425.514 4.196 5 20 IIBD CCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)c3ccccc3[N+](=O)[O-])c2)c1 580745753 IFGZXKCFHWWNFJ-UHFFFAOYSA-N 433.420 4.276 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 580791997 OLBZXSRIMXMMBG-RUZDIDTESA-N 436.556 4.225 5 20 IIBD COc1ccc2c(c1)C1(CC1)CN(Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])C2 582329848 MBAZMUAFBHPFJT-UHFFFAOYSA-N 434.439 4.303 5 20 IIBD Cc1c(CNC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCCC2)cccc1[N+](=O)[O-] 582777923 YNVKORKNGPCKMP-HXUWFJFHSA-N 429.904 4.221 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 588275386 KDZNEZXSXPKZDP-HNNXBMFYSA-N 428.510 4.432 5 20 IIBD C[C@@H]1CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)CCC1(F)F 589433148 BCOAATRQBFPIFS-LLVKDONJSA-N 441.481 4.250 5 20 IIBD Cc1sc(NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)nc1-c1cccc(Cl)c1 603468916 NQXRMLZGPBADJQ-LLVKDONJSA-N 444.900 4.437 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H](NC(N)=O)c1cccc(Oc2ccccc2)c1 603478952 GTHJLPSNUFZVJY-NRFANRHFSA-N 434.452 4.434 5 20 IIBD Cc1nn(C)c2ncc(NC(=O)c3ccc(N[C@@H](C)c4ccccn4)c([N+](=O)[O-])c3)cc12 604299458 FAONQCRWVMTRGC-AWEZNQCLSA-N 431.456 4.005 5 20 IIBD C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 604482966 XWTWPNRNHLJIAN-ZDUSSCGKSA-N 430.917 4.377 5 20 IIBD CCN(C(=O)Cc1ccc(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)cc1)c1ccccc1 608804995 QXCBTIUNYOPHBM-UHFFFAOYSA-N 449.511 4.033 5 20 IIBD COC(=O)[C@@H](C)CN(C(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1)C1CC1 608851418 SFGFAJFPALOAQM-HNNXBMFYSA-N 428.510 4.468 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccccc1-c1ccc(Cl)cc1 608865697 MJYNBSNLMAGBJL-UHFFFAOYSA-N 439.855 4.179 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCC[C@H]1C[C@H]1C[C@H]2CC[C@H]1C2 608880581 IQNHKHSNXVAEMO-FJIDUMEYSA-N 427.501 4.100 5 20 IIBD O=C(Nc1ccnn1Cc1cccc(Br)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 608962002 OYERQWAGCDYHNB-UHFFFAOYSA-N 440.257 4.336 5 20 IIBD C[C@@H](c1ccco1)N(C)C(=O)c1ccc(C(=O)N(C)[C@H](C)c2ccco2)cc1[N+](=O)[O-] 609043939 IFYOPKKIIFMIRF-CABCVRRESA-N 425.441 4.447 5 20 IIBD COC(=O)c1ccc2c(O)nc(/C=C/c3csc(-c4cccc([N+](=O)[O-])c4)n3)nc2c1 609579509 VQINLYXUVQXLQI-SOFGYWHQSA-N 434.433 4.324 5 20 IIBD Cc1noc([C@H](C)NC(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)n1 609810979 YQYBGKHLNGZFEZ-JTQLQIEISA-N 449.826 4.431 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)cc1[N+](=O)[O-] 609816168 RNQMSYHJWITYRD-UHFFFAOYSA-N 447.856 4.091 5 20 IIBD CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 609861391 CQOJCKOJEPLBJK-CQSZACIVSA-N 434.899 4.020 5 20 IIBD C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 609909288 AFJAIJHYOUMMAP-BBRMVZONSA-N 441.488 4.032 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCC[C@H](N3CCCC3)CC2)cc1[N+](=O)[O-])c1ccccn1 609977468 LFXDHMMUJUNFHG-QUCCMNQESA-N 437.544 4.253 5 20 IIBD O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 610292827 INIBZCVYNXGLHE-LLVKDONJSA-N 429.345 4.148 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CC[C@@H]2[C@@H]1[C@@H]2C(F)(F)F 610494521 BEGHUMOROYSYQO-ZEGGKSINSA-N 435.189 4.110 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 612131512 DOTDLEZILFUSFG-KUWBRRTOSA-N 432.524 4.036 5 20 IIBD Cc1ccc(-c2nc(Cc3noc([C@@H](C)NC(=O)c4cccc([N+](=O)[O-])c4)n3)cs2)cc1 612881812 IWQHVFLYYDBVJJ-CQSZACIVSA-N 449.492 4.492 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCN[C@@H](c2ccccc2Cl)C1 619777935 INIGOUURXSKMBE-QGZVFWFLSA-N 428.901 4.158 5 20 IIBD Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3cc(-c4cccc([N+](=O)[O-])c4)[nH]n3)cc12 726193089 IFPOFHPIELVJLY-UHFFFAOYSA-N 439.435 4.280 5 20 IIBD Cc1ccc(NC(=O)c2cccc(OS(=O)(=O)c3cccc(F)c3[N+](=O)[O-])c2)cc1 727459848 CFBVAHJGQCZQJS-UHFFFAOYSA-N 430.413 4.062 5 20 IIBD CCOCCCn1c(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)nc2ccccc21 727999550 QPWCFNQTLQWHMK-UHFFFAOYSA-N 441.444 4.148 5 20 IIBD O=C(COc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 728911804 LNXXMDAVFYHTSB-KRWDZBQOSA-N 444.831 4.167 5 20 IIBD O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H]1COC(=O)C1(c2ccc(Cl)cc2)CC1 730706675 DZPYVMBLQLJACN-KRWDZBQOSA-N 428.872 4.128 5 20 IIBD O=C(CN1CCCCCCC1)Nc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 731461459 AGSNWTLQYLOITQ-UHFFFAOYSA-N 428.464 4.191 5 20 IIBD CC(C)(C)c1ccc2c(c1)CCN2C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 731984109 URCGIPUEAOAYGP-QGZVFWFLSA-N 427.526 4.148 5 20 IIBD CC1=C(C(=O)N(C)C)[C@@H](c2ccc(C(C)C)c([N+](=O)[O-])c2)NC(=O)N1Cc1cccs1 732015989 IZLVROLJZKZNCT-HXUWFJFHSA-N 442.541 4.408 5 20 IIBD CC1=C(C(=O)OCC(C)C)[C@@H](c2ccccc2[N+](=O)[O-])NC(=O)N1Cc1cccs1 732018796 YRDCWCWWCABHHK-LJQANCHMSA-N 429.498 4.396 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1Nc1cnn(-c2ccccc2Cl)c1 732042672 KZKLZXAFURWAOS-UHFFFAOYSA-N 428.804 4.174 5 20 IIBD CCc1nnc([C@H](C)OC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)o1 732310924 AUQIXNXDXGCAFE-NSHDSACASA-N 429.816 4.343 5 20 IIBD O=C(OCc1cccc(C(F)(F)F)c1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 732496888 AOLPYEIEPYUPPZ-ZDUSSCGKSA-N 428.388 4.023 5 20 IIBD CC(C)(C)OC(=O)N1CC(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 736094403 QZWVWANHJXXCRN-UHFFFAOYSA-N 429.498 4.095 5 20 IIBD O=C(O[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1cc(Cl)cc([N+](=O)[O-])c1 745066025 UCJZXIXCKNBFSK-INIZCTEOSA-N 440.786 4.202 5 20 IIBD C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 747319058 MZIJYRIFQUVKEP-HOTGVXAUSA-N 431.920 4.349 5 20 IIBD Cc1ccsc1[C@H]1C[C@@H]1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 748452779 WZKOEONFJKTOCP-RYUDHWBXSA-N 428.388 4.269 5 20 IIBD CC(=O)N(c1ccc(F)cc1)c1nc(COC(=O)Cc2cccc([N+](=O)[O-])c2C)cs1 748469250 CTZBYALMTAAFDN-UHFFFAOYSA-N 443.456 4.469 5 20 IIBD CC(C)N(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(N2CCOCC2)cc1 751179430 FKPATYVBRBHVJC-UHFFFAOYSA-N 438.528 4.087 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N(Cc2ccccc2)CC2CCOCC2)cc1[N+](=O)[O-] 752252333 UBQHSFKGWDZHQZ-UHFFFAOYSA-N 438.933 4.174 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N(Cc1ccccc1)C[C@H](O)c1ccco1 752768747 OKODRVZPUMALDF-QHCPKHFHSA-N 449.507 4.167 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC(CN2CCCCCC2)CC1 754995583 GDIODTWXRSFHHM-UHFFFAOYSA-N 442.329 4.225 5 20 IIBD COc1ccc(S(=O)(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c(Cl)c1Cl 757352872 URWZGOBTQWFEBA-UHFFFAOYSA-N 425.677 4.042 5 20 IIBD COC1CCC(OC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 757934426 VUCLBEQJGHUHQC-UHFFFAOYSA-N 435.480 4.491 5 20 IIBD C[C@@H](OC(=O)CCc1cccc(OC(C)(C)C)n1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 759008062 AJAIMHMANLIIAO-CQSZACIVSA-N 440.456 4.454 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H](C)CC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 759844688 HGBZAZACBDLVGV-QWHCGFSZSA-N 448.859 4.036 5 20 IIBD C[C@H](C(=O)Nc1cnc2c(c1)C[C@@H](NC(=O)OC(C)(C)C)CC2)c1cccc([N+](=O)[O-])c1 762234842 FDZNEHGSFPQUCL-YOEHRIQHSA-N 440.500 4.114 5 20 IIBD CC(C)(C)OC(=O)Nc1cc2c(cc1NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)OCO2 763500095 KYLTXUTUCJDCRU-UHFFFAOYSA-N 437.355 4.201 5 20 IIBD COc1ccc(CN(C)C(=O)[C@@H](OC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C(C)C)cc1 763719146 GRMQVPXUBHZEOL-IBGZPJMESA-N 434.876 4.097 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1)c1cccc([N+](=O)[O-])c1 764256523 YNRWEQBOIFEIJN-LBPRGKRZSA-N 442.269 4.326 5 20 IIBD Cc1c(C(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)nnn1Cc1ccc(F)cc1 766522504 MCPISGFDRNSLIN-UHFFFAOYSA-N 443.866 4.392 5 20 IIBD C[C@H](OC(=O)c1cccc(OCC(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 770135192 PEFDKOQHBFLOTO-JTQLQIEISA-N 446.765 4.373 5 20 IIBD CC(C)c1cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nn1-c1ccccc1 772363946 HPNRIXWBAICJOP-UHFFFAOYSA-N 442.859 4.353 5 20 IIBD O=[N+]([O-])c1cnn(CCS(=O)(=O)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1 772830852 OKKNDKQRRKIVQS-UHFFFAOYSA-N 440.308 4.303 5 20 IIBD C[C@H]1C[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCN1C(=O)OC(C)(C)C 775237502 PDSYMEJVYYADLP-DOTOQJQBSA-N 432.521 4.057 5 20 IIBD C[C@H](CC(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)c1ccc(Cl)cc1 777215634 KICXZQOMIZTMPQ-GFCCVEGCSA-N 429.816 4.251 5 20 IIBD O=C(Nc1ccc(CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(F)cc1 777976522 QBSLZFWUWIDCSX-UHFFFAOYSA-N 443.381 4.394 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN(C(=O)c2cc([N+](=O)[O-])c4nsnc4c2)C3)cs1 778420395 VROGRVBPYXSOFI-UHFFFAOYSA-N 443.535 4.291 5 20 IIBD CC[C@@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC[C@@H]1NC(=O)OC(C)(C)C 780960760 HIHPSAWMEWDMLH-UZLBHIALSA-N 449.551 4.447 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cc(F)c(Br)c(F)c1 781716084 SKUYXBGTOWLIBT-UHFFFAOYSA-N 430.161 4.115 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(OC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cc1 781989431 DXCYBVBNIYWGMN-GOSISDBHSA-N 427.413 4.040 5 20 IIBD COc1ccc(NC(=O)N2CCC([C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] 782621993 SSXTUAIGICPALS-KRWDZBQOSA-N 448.520 4.247 5 20 IIBD CC(=O)OCCCc1cccc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 785992699 MONVNEWITAJTTL-UHFFFAOYSA-N 439.390 4.431 5 20 IIBD Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1 786728704 LSNNBZCOUGCHQH-UHFFFAOYSA-N 426.864 4.068 5 20 IIBD COc1ccc(CN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@@H]2CCCC[C@H]2C)cc1OC 787213771 CTIAJZBWZROERR-FOIQADDNSA-N 427.501 4.415 5 20 IIBD Cc1cnc(COC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)c(C)c1[N+](=O)[O-] 789442701 PMQATRDUAATKDX-UHFFFAOYSA-N 425.441 4.076 5 20 IIBD C[C@@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 790547526 WEKLFIXKXVTQQC-OLZOCXBDSA-N 443.903 4.082 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc(-c2ccncc2)nc2ccccc12 792204357 WUDBBZXGUAFPBV-UHFFFAOYSA-N 430.376 4.470 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC1=CCN(C(=O)OC(C)(C)C)CC1 793412376 SXFQZEYTTXGTKS-UHFFFAOYSA-N 446.548 4.472 5 20 IIBD Cc1ccc2c(C(=O)OCC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCCO4)csc2c1 796360917 NDYUFUHDHIWYCQ-UHFFFAOYSA-N 442.449 4.075 5 20 IIBD C[C@H](N[C@@H]1[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 796646644 CCEOCBHEZKVLPU-BASYENTBSA-N 445.520 4.329 5 20 IIBD CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])C1CC1 798292054 UIJUBOAPKKICBO-HSZRJFAPSA-N 440.500 4.080 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 798541081 CJYXJWLWEAXXJU-UHFFFAOYSA-N 439.428 4.016 5 20 IIBD CC(C)(C)OC(=O)NCC[C@H]1CCCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 799375026 VTNNBXUMOCJEGD-CYBMUJFWSA-N 426.901 4.407 5 20 IIBD COc1cc(C)c(Br)cc1C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 803829252 IMNDJVSDUQBOQL-UHFFFAOYSA-N 448.229 4.081 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1 804177791 WPZPHHWFJAHQDN-IBGZPJMESA-N 427.501 4.252 5 20 IIBD O=[N+]([O-])c1cccc([N+](=O)[O-])c1Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 804465249 GZKOERHADOGONP-UHFFFAOYSA-N 427.438 4.362 5 20 IIBD Cc1cc(Br)c(C(=O)OCC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1Cl 805600583 QBGIQOIYFFCRBO-UHFFFAOYSA-N 441.665 4.423 5 20 IIBD O=C(N[C@H]1CCN(c2ccccc2Cl)C1=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 812992196 WIEDGTCMQHVJJY-ZDUSSCGKSA-N 428.659 4.090 5 20 IIBD CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)OCc1c(Cl)cccc1Cl 865211282 MYUDAXYETCGESR-CYBMUJFWSA-N 447.296 4.090 5 20 IIBD CC(C)[C@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc2ncccc12 876231966 RLSJFTFXCFIKOA-NRFANRHFSA-N 439.493 4.442 5 20 IIBD COc1cc(C(=O)O[C@@H](C(=O)Nc2cccc(C)c2C)C(C)C)c([N+](=O)[O-])cc1OC 876385175 BWOGSXINUMXGKB-HXUWFJFHSA-N 430.457 4.049 5 20 IIBD CC1=C(C(=O)N(C)C)[C@@H](c2ccc(C)c([N+](=O)[O-])c2)NC(=S)N1c1ccccc1Cl 887570973 PASZZUFXIVBQBJ-LJQANCHMSA-N 444.944 4.355 5 20 IIBD Cc1cc(C)c(N2C[C@H](C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)CC2=O)c(C)c1 914753247 PRJFMWGAYVNIRU-QGZVFWFLSA-N 429.904 4.185 5 20 IIBD CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2cc([N+](=O)[O-])c(F)cc2F)NC(=O)N1C1CC1 916725311 YOXBUZZHNUTGKY-IBGZPJMESA-N 446.385 4.154 5 20 IIBD COc1c([N+](=O)[O-])cc(NCCc2c(F)cccc2F)c([N+](=O)[O-])c1Br 917085151 CBDLYSLFKBEZGD-UHFFFAOYSA-N 432.177 4.207 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)c1nnnn1-c1ccccc1 919193672 ZSLYFCCYDYYVME-OAHLLOKOSA-N 431.408 4.281 5 20 IIBD Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 919195244 BYBWAGWAPVQEHV-UHFFFAOYSA-N 446.765 4.293 5 20 IIBD COc1ccc(CSCC(=O)Nc2cc(C)c(Br)c(C)n2)cc1[N+](=O)[O-] 1116525091 SGZCELOUTOQPPV-UHFFFAOYSA-N 440.319 4.250 5 20 IIBD COc1cc(Br)c(OC)c(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 1320127719 ZOOHDOKVKQHIIS-UHFFFAOYSA-N 443.681 4.000 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(CN(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)n1 1320211413 CXJIYYHAUFCJTC-HNNXBMFYSA-N 432.477 4.178 5 20 IIBD COC(=O)[C@H](OC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccccc1Cl 1324742188 PCYNYQDZSSWSJD-LLVKDONJSA-N 434.651 4.143 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2c2nnc(-c3cnn(-c4ccccc4)c3)o2)ccc1[N+](=O)[O-] 1345972044 KIJRFEDACDWIDI-HXUWFJFHSA-N 444.451 4.116 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)CCC2)cc1)c1ccncc1 1787312928 CWIAZFXMRURFEJ-UHFFFAOYSA-N 434.427 4.190 5 20 IIBD Cc1cc(Cl)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)C3)c1 1803632598 SKCBLNDKENJEMT-KCNDMKMYSA-N 443.887 4.115 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1)c1cc2ccccc2o1 1818627139 KDMAPWQZKKRIPK-OAHLLOKOSA-N 449.423 4.277 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)/C=C/C2CCCCC2)[nH]n1)c1ccc([N+](=O)[O-])[nH]1 1820366504 SROGUZSFYAESBR-ZPHJMFTNSA-N 440.504 4.088 5 20 IIBD CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])CC2)CC1 1826245803 XPIWTBXYINPAQR-SQUSKLHYSA-N 425.529 4.028 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC([C@H]2CCCCN2C(=O)CC2CCC2)CC1 1832838588 SRCMSQTVZNDIEJ-VDZCTEQFSA-N 439.556 4.418 5 20 IIBD C[C@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)N1CCN(c2ccccc2)CC1 9968444 BZKRVTRJIGKLMP-AWEZNQCLSA-N 428.539 4.034 5 20 IIBD Cc1cc(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c2cnn(C(C)C)c2n1 10208629 ZEHQDPHVTKTEBN-CYBMUJFWSA-N 436.428 4.197 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2c(C)nn(C)c2Cl)c2ccccc2)c([N+](=O)[O-])c1 14364343 XWZIXGLXCCBBJD-SFHVURJKSA-N 442.859 4.135 5 20 IIBD COc1ccc(C)cc1-c1csc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n1 15637707 PXWLGBUXEVKIPR-UHFFFAOYSA-N 427.438 4.059 5 20 IIBD CCNc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] 15648810 MMQYRRPRXCDNHH-NSHDSACASA-N 425.363 4.229 5 20 IIBD O=C(c1ccccc1[N+](=O)[O-])N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 21959564 JILOKZWCEWAJGN-UHFFFAOYSA-N 437.446 4.420 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)Cc1ccc(C(F)(F)F)cc1)c1ccccc1[N+](=O)[O-] 24484290 ZIMWOHMIFSQRTF-QGZVFWFLSA-N 438.402 4.355 5 20 IIBD COc1ccc(NC(=O)CSc2nnc(-c3cc4ccccc4o3)o2)c([N+](=O)[O-])c1 26105798 DCMPXMBVRAZPGR-UHFFFAOYSA-N 426.410 4.130 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 29773641 WONKMNXSRZHEPG-MRXNPFEDSA-N 433.961 4.463 5 20 IIBD Cc1cc(C(=O)Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)c(C)n1CCC1=CCCCC1 58104175 RBVLLNVWHVXIHD-UHFFFAOYSA-N 434.496 4.496 5 20 IIBD C[C@H](CCc1ccc(Br)cc1)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 59987977 UFCHSHXGPZRAMB-CQSZACIVSA-N 443.301 4.294 5 20 IIBD CCCS(=O)(=O)Nc1cccc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1C 109139416 RFBOZALPKNYOJH-AWEZNQCLSA-N 437.543 4.174 5 20 IIBD COc1cc(NC2CCN(c3cc(Br)ccc3[N+](=O)[O-])CC2)cc(OC)c1 301645689 CXQBNZTVGDRCSY-UHFFFAOYSA-N 436.306 4.455 5 20 IIBD O=C(Nc1cccc(-c2ccc3c(c2)CCO3)n1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 303374681 KZHGPKICLVTYOX-UHFFFAOYSA-N 427.420 4.030 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N(Cc1ccncc1)Cc1cccnc1 303539224 HQILOXNUZGLBIG-UHFFFAOYSA-N 431.477 4.351 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1COc2cc(F)c(Br)cc21 410031122 UGCMAQDAYXIKHV-CYBMUJFWSA-N 430.617 4.405 5 20 IIBD COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cc1NC(N)=O 427934275 LHBMPSHAZKWGLU-UHFFFAOYSA-N 438.465 4.498 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCc2sccc2[C@@H]1c1cccs1 429815061 YKOIJAKBMYVWIP-QGZVFWFLSA-N 447.925 4.484 5 20 IIBD C[C@H]1CC[S@](=O)CCN1C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 432448351 NVMIXJOAGDMACV-OIJAAMDRSA-N 438.958 4.383 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1cccc(OCc2ccccc2)c1 434043867 WJPXKDSEMSUDEU-QZTJIDSGSA-N 447.491 4.170 5 20 IIBD Cc1oc(C(=O)O)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435136663 FVNDZKJZIWBSQR-UHFFFAOYSA-N 440.480 4.208 5 20 IIBD O=C(NCCCN1CCc2ccccc2C1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436096959 HCTBCASWMORYBT-UHFFFAOYSA-N 447.485 4.138 5 20 IIBD O=C(Nc1ccc(CCC(F)(F)F)cc1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437041025 KTZOFNUNZRJEKV-UHFFFAOYSA-N 435.402 4.219 5 20 IIBD CSc1cc2c(cc1NC(=O)N1CCC(Oc3ccc([N+](=O)[O-])cc3)CC1)OCCO2 438145313 UOJPXDJYISDWFK-UHFFFAOYSA-N 445.497 4.163 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)Nc2ccnn2[C@H](C)CC(C)C)cc1[N+](=O)[O-] 438789105 AEPFGKIKEHOROX-LLVKDONJSA-N 445.339 4.270 5 20 IIBD COC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C[C@@H](C)O1 439947550 WSYXPADATCZTQD-CZUORRHYSA-N 436.917 4.275 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H](C)c1sc(C(C)C)nc1C 440028114 ONIHKBZNQTXVPG-CYBMUJFWSA-N 434.518 4.040 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2nc(Sc3ccc(C)cc3)ns2)cc([N+](=O)[O-])c1 440314687 KXJRLACOJWGKPK-UHFFFAOYSA-N 444.494 4.335 5 20 IIBD Cn1c(SCc2cccc(C(=O)OC(C)(C)C)c2)nc2cc([N+](=O)[O-])ccc2c1=O 443472160 BIOKYDVRAMGHBM-UHFFFAOYSA-N 427.482 4.089 5 20 IIBD O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444168330 NPCUCRFUPKQJBH-LJQANCHMSA-N 449.869 4.009 5 20 IIBD Cn1cc(C(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 444532216 RRRXTGBUCIPYLQ-UHFFFAOYSA-N 444.413 4.476 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1cccc(OC[C@H]2CCCO2)c1 445689624 DGUARWZEFHQORJ-QGZVFWFLSA-N 435.274 4.096 5 20 IIBD COc1cc(Cc2noc(C(F)(F)c3c(F)cccc3F)n2)c([N+](=O)[O-])c(OC)c1 445823152 AXSONQFNQGZHDH-UHFFFAOYSA-N 427.310 4.004 5 20 IIBD CCC1(CC)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 446693147 WGBWKGRMLTWRAL-UHFFFAOYSA-N 431.514 4.048 5 20 IIBD CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 446714893 OFBNMQFAWLHRPN-INIZCTEOSA-N 428.489 4.081 5 20 IIBD CC(C)c1cnc(NC(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 461279372 OAGYBPBFOZXCQZ-UHFFFAOYSA-N 446.510 4.228 5 20 IIBD O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCOc2ccc([N+](=O)[O-])cc2C1 461418960 MSLMLGPKCGVJJV-UHFFFAOYSA-N 427.844 4.257 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCCc1c[nH]c2cccc(Br)c12 462126691 BNKAZQLSODERBH-UHFFFAOYSA-N 445.317 4.265 5 20 IIBD O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 463014101 UGUUCSQXYBCEPH-PGRDOPGGSA-N 425.485 4.068 5 20 IIBD COc1cc(OCC(=O)NCc2ccc(OCc3ccccc3F)cc2)ccc1[N+](=O)[O-] 464261231 CAFQYYJGMHPYLT-UHFFFAOYSA-N 440.427 4.017 5 20 IIBD CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 465074553 YRBSKMLYKRDAEJ-UHFFFAOYSA-N 425.268 4.264 5 20 IIBD Cc1ccc(CN(Cc2ccco2)C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)s1 465177041 VUDDCZRUXRONIM-UHFFFAOYSA-N 428.466 4.100 5 20 IIBD Cc1nc(-c2ccc(CNC(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)o2)cs1 465499956 ZUQRLPDHMQDCAT-UHFFFAOYSA-N 442.497 4.373 5 20 IIBD O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)NCc1ccc([N+](=O)[O-])cc1Cl 466282342 CEVVXZPDKAUPAT-UHFFFAOYSA-N 439.280 4.360 5 20 IIBD CCNC(=O)N1CCc2ccc(NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)cc21 467723203 CNTMJYNBGXYSEQ-UHFFFAOYSA-N 425.489 4.129 5 20 IIBD CC(C)(C)S(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1 468083601 YQSRIVYAVUPRGV-UHFFFAOYSA-N 428.413 4.021 5 20 IIBD C[C@H]1CCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@H]1c1ccc(C(F)(F)F)cc1 472615612 ZMXMAJYKCBAMJC-APPDUMDISA-N 439.365 4.301 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)OC(C)C 473664623 NABMLSOYNHLKFX-GOSISDBHSA-N 439.415 4.493 5 20 IIBD COc1c(C(=O)NCc2cc(Br)ccc2Br)cccc1[N+](=O)[O-] 476789045 SZQMVSJPKWAELX-UHFFFAOYSA-N 444.079 4.058 5 20 IIBD C[C@H](NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 478870351 CJLVNPSURZGBLM-SVBQJQNYSA-N 436.295 4.298 5 20 IIBD COc1ccc(CN2CCO[C@H](c3ccc(F)c(Br)c3)C2)cc1[N+](=O)[O-] 481603576 IWJMASMTBXGBAJ-SFHVURJKSA-N 425.254 4.079 5 20 IIBD CCOC(=O)c1cc2cc(S(=O)(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)ccc2s1 481819680 AYZCMEDIXMGFDX-UHFFFAOYSA-N 434.495 4.404 5 20 IIBD O=C(NCc1nc(-c2ccncc2)no1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 482034534 BQGFHQRRXAZGNY-UHFFFAOYSA-N 433.449 4.121 5 20 IIBD C[C@@H](O)[C@](C)(CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccccc1 482174273 YLDLVAGOALRZIK-QRQCRPRQSA-N 425.510 4.078 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCC(O[C@@H]2CCOC2)CC1 483655528 DQUMSTMDOKBLOW-OAQYLSRUSA-N 427.457 4.189 5 20 IIBD Cc1nc(NC(=O)CCn2cc([N+](=O)[O-])nc2C)sc1Cc1cccc(Cl)c1F 487609952 UEZWFVUTLIORSO-UHFFFAOYSA-N 437.884 4.277 5 20 IIBD C[C@@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 488031377 DGUTWTJLSKSTDJ-KUHUBIRLSA-N 437.418 4.328 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)CCCC2)c1 488059565 GJBLOULJRWXHCN-GOSISDBHSA-N 444.553 4.484 5 20 IIBD Cc1ccc([C@H](C)NC(=O)c2cccc(NC(=O)[C@@H]3Cc4ccccc4O3)c2)cc1[N+](=O)[O-] 488090923 LOBLNPAWZGBHRE-HJPURHCSSA-N 445.475 4.336 5 20 IIBD COc1c(F)cc(S(=O)(=O)Nc2ccc(Oc3cccnc3)c(C)c2)cc1[N+](=O)[O-] 488257648 REZIXYFUFHUVFB-UHFFFAOYSA-N 433.417 4.039 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O 489977555 CGNPLKPQLGSNBV-KRWDZBQOSA-N 449.479 4.156 5 20 IIBD O=C(CN(Cc1cccc([N+](=O)[O-])c1)C1CC1)N1N=C(c2ccco2)C[C@H]1c1ccco1 490024387 HIHOYXYSHYINTB-FQEVSTJZSA-N 434.452 4.123 5 20 IIBD CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 490671469 NYCRSHREJGIRSD-UHFFFAOYSA-N 448.545 4.008 5 20 IIBD CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] 491058179 OCDANSYEVOIPOZ-GOSISDBHSA-N 443.569 4.310 5 20 IIBD COc1ccc([C@H]2CCCCCN2S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)cc1 491287196 XUAPQEGKINWSJQ-GOSISDBHSA-N 438.477 4.057 5 20 IIBD CCOc1cc(CN(CC)CC(=O)Nc2ccccc2C(F)(F)F)ccc1[N+](=O)[O-] 492374045 GHKNIXGYGNANOL-UHFFFAOYSA-N 425.407 4.473 5 20 IIBD COc1ccccc1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)c1cc(Cl)cc(Cl)c1 499500676 DTQOHKQKOFDRED-UHFFFAOYSA-N 435.267 4.340 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@@H](CCO)c1ccc(Cl)cc1 503527886 PHPYZGQIRMIVQJ-INIZCTEOSA-N 431.798 4.190 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 509155969 VQVGXEXLVUSNFS-HNNXBMFYSA-N 428.432 4.323 5 20 IIBD O=C(c1cccc(COc2cccc(F)c2)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 510087145 RAJRSOQAQFHVCL-UHFFFAOYSA-N 435.455 4.275 5 20 IIBD O=C(Nc1ccc(CCC(=O)N2CCCC2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 510128977 BKFDEABXUWJFES-UHFFFAOYSA-N 436.512 4.002 5 20 IIBD COc1cc(C(=O)N[C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)ccc1[N+](=O)[O-] 511818464 VUPVWQGAHRNHDK-CQSZACIVSA-N 437.427 4.486 5 20 IIBD C[C@H](NC(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cccc([N+](=O)[O-])c1 512084881 VFRANPLMGZTDPX-DZGCQCFKSA-N 438.406 4.133 5 20 IIBD CN(C)[C@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccc(F)cc1 515929074 ZYLFIPZRJKANSR-HSZRJFAPSA-N 436.487 4.379 5 20 IIBD O=C(c1nccc2ccccc12)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 519884914 NGQHRDIDKWISBZ-UHFFFAOYSA-N 430.386 4.124 5 20 IIBD O=C(N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1cc2c(cc1[N+](=O)[O-])OCO2 519985110 PKCIPUJZLMUVTH-QHCPKHFHSA-N 432.432 4.168 5 20 IIBD CCOc1ccc([C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c2ccccc2)cc1 521156064 RZOOQTVGNLKYFP-HXUWFJFHSA-N 430.457 4.201 5 20 IIBD C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 521977498 KIVYZXCUFOWEII-CYBMUJFWSA-N 432.402 4.375 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)cc1[N+](=O)[O-] 522651800 KZXMPSYXYOBXKA-MUUNZHRXSA-N 436.555 4.285 5 20 IIBD O=C(NCCOCC1CC1)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 522765280 WSZTUYCHLABRFY-UHFFFAOYSA-N 437.855 4.405 5 20 IIBD O=C(CSCc1ccc(Cl)cc1Cl)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 522860081 BZELAKAQFCBJJY-AWEZNQCLSA-N 441.340 4.243 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1nc(-c2cccc(Cl)c2)no1 524042144 WCPXBQLOZIPHMN-UHFFFAOYSA-N 444.878 4.175 5 20 IIBD CCCC(CCC)N(CC1C[C@@H]2CC[C@H](C1)N2C)S(=O)(=O)c1ccccc1[N+](=O)[O-] 524637530 JASPQNPRDPBRPB-CTXDPNEZSA-N 437.606 4.427 5 20 IIBD C[C@H](CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1C(F)(F)F 524983749 CONRNZFKEXNVQP-OAHLLOKOSA-N 449.429 4.092 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3c4ccccc4C[C@@H]3O)o2)c(Br)c1 530773863 WDSZQTCACHJNNE-ICSRJNTNSA-N 429.270 4.365 5 20 IIBD COc1ccc(-c2nc(CN3CCN(c4cccc([N+](=O)[O-])c4)CC3)cs2)cc1OC 532475202 FNMQUXVJSMCFGE-UHFFFAOYSA-N 440.525 4.058 5 20 IIBD CCOc1ccc(CN2CCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC2)cc1 533215441 LLFORJAHVCLYDK-UHFFFAOYSA-N 436.512 4.009 5 20 IIBD CC(=O)N1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c2ccccc21 535319365 DVHZZGZYDXOOEY-HSZRJFAPSA-N 444.491 4.435 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C(C)(C)C)ccc1O 536236218 YGXMBAWOXYBXMC-QGZVFWFLSA-N 445.541 4.088 5 20 IIBD COc1ccc(CSCC(=O)Nc2cn(CC(C)C)nc2C(F)F)cc1[N+](=O)[O-] 536443771 ISWKOSCAUGYHMC-UHFFFAOYSA-N 428.461 4.265 5 20 IIBD Cn1c([C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c2ccccc2)nc2ccccc21 536482397 PTAORXBHXXWKIN-JOCHJYFZSA-N 425.448 4.482 5 20 IIBD COc1ccc(CN[C@@H](C)c2nnn(-c3cccc(Br)c3)c2C)cc1[N+](=O)[O-] 536864910 XXFOJLROUGEUBP-LBPRGKRZSA-N 446.305 4.106 5 20 IIBD O=C(NCc1cccc(NC(=O)N2CCCC2)c1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 538315457 IPHMNOZRWFMKKE-UHFFFAOYSA-N 445.479 4.215 5 20 IIBD COc1ccc([C@H](OC)[C@H](C)NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1 540094656 VONOCPHWDDJSKI-KPZWWZAWSA-N 437.290 4.180 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 541867719 IGUASKUQBYROMS-UWJYYQICSA-N 443.569 4.116 5 20 IIBD Cc1ccccc1CNc1ccccc1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 542082980 JGRKBKNFHOJTNM-UHFFFAOYSA-N 432.480 4.274 5 20 IIBD C[C@H](c1nc(-c2ccccc2)no1)N1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 543857115 VMEPAAWNJZUAGP-OAHLLOKOSA-N 427.892 4.177 5 20 IIBD COc1ccc(NC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1Oc1ccc(C)nn1 543886019 UDXSCPKDEDDSRF-UHFFFAOYSA-N 425.401 4.147 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 544087389 JSEJRCMQCQBHJU-UHFFFAOYSA-N 439.468 4.395 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 544338645 RYRLGCQGNLDARX-AWEZNQCLSA-N 426.498 4.302 5 20 IIBD COCCOc1ccc(-c2noc(Cn3c4ccccc4c(=O)c4ccccc43)n2)cc1F 544999518 PBUSGKREGJRXOF-UHFFFAOYSA-N 445.450 4.417 5 20 IIBD CC(C)(C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl)c1ccc([N+](=O)[O-])cc1F 545827408 GUAFTOOJUTXPJG-UHFFFAOYSA-N 428.247 4.073 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2N2CCC(CN(C)C)CC2)c1 554946383 RMKZUOBIVCQJQF-UHFFFAOYSA-N 426.517 4.024 5 20 IIBD O=C(Nc1cc(F)c(Cl)cc1N1CCOCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 558319268 KCINLMSZOIMZAW-UHFFFAOYSA-N 447.772 4.495 5 20 IIBD CC(C)Oc1ccccc1CNCc1cc(I)cc([N+](=O)[O-])c1 558482853 QCNQKINYUYQVJX-UHFFFAOYSA-N 426.254 4.276 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 562110453 OCMOLJLVAOAMID-UHFFFAOYSA-N 430.892 4.191 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncc(-c3ccccc3F)s2)c2ncccc12 565119947 GOBZLXYJGNVSEZ-UHFFFAOYSA-N 430.442 4.206 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1-c1nc([C@@H](C)c2ccncc2)no1 567024096 CKZUQAGCPIJIDE-VIFPVBQESA-N 436.209 4.105 5 20 IIBD Cn1cc(C(=O)NCc2cc(F)c(C(F)(F)F)cc2F)c(-c2ccc([N+](=O)[O-])cc2)n1 567538731 FHPPLYDGHMVAQX-UHFFFAOYSA-N 440.328 4.222 5 20 IIBD O=C(c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC(C2CCCCC2)C1 569099119 BZDSMHOVPDDGRJ-UHFFFAOYSA-N 443.525 4.048 5 20 IIBD Cc1cnc(-c2cnn(C)c2NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)o1 569410378 VRCAKWSYGNGNPW-AWEZNQCLSA-N 447.455 4.112 5 20 IIBD Cc1ccc(C2(c3noc(-c4ccn(-c5ccccc5[N+](=O)[O-])n4)n3)CCOCC2)cc1 571722163 QKCBUZNIBQKDAJ-UHFFFAOYSA-N 431.452 4.235 5 20 IIBD Cc1n[nH]cc1C1CCN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 573511890 GFWYZLBNLSBBCB-MRXNPFEDSA-N 434.500 4.214 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1ccc(Br)cc1F 577147198 AUZHSWBFWDJHQI-NSHDSACASA-N 440.269 4.184 5 20 IIBD COc1ccccc1O[C@H]1CCCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C1 577780955 RRWQDSCRTOWVTD-AWEZNQCLSA-N 432.498 4.018 5 20 IIBD COc1ccc([C@H](Cc2ccccc2)NC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)cc1 578567703 RHXZJIPLILAXFZ-NRFANRHFSA-N 435.480 4.395 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H]2CCCOc3cc(F)ccc32)cc1[N+](=O)[O-] 578891057 HVIUULHYVKIYMQ-QGZVFWFLSA-N 429.448 4.000 5 20 IIBD O=C(NC1(c2noc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2)CCC1)c1ccccc1 581514770 HERUEKCDOJXCPQ-UHFFFAOYSA-N 432.358 4.473 5 20 IIBD COc1ccc(-c2nc(Cc3cc(OC)cc(OC)c3[N+](=O)[O-])no2)c(OC(C)C)c1 589151718 OHVOULWFARHXPM-UHFFFAOYSA-N 429.429 4.049 5 20 IIBD CC[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C[C@@H](C)[S@@]1=O 589186655 MRDYPOYPDZWQMY-PLQDTCIUSA-N 441.347 4.349 5 20 IIBD COc1cc(C(=O)NC[C@@]2(O)CCC[C@@H]2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 590525473 QYENYPLDGQOYIY-ZSEKCTLFSA-N 434.876 4.330 5 20 IIBD CC(C)NC(=O)CSc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 603638678 OCZJAKUNWWPSHQ-UHFFFAOYSA-N 439.440 4.065 5 20 IIBD CCOc1cc(NC(=O)N2CCN(Cc3cccc(C)c3)CC2)c([N+](=O)[O-])cc1OCC 603651362 INTJUHBQOKOXSG-UHFFFAOYSA-N 442.516 4.050 5 20 IIBD CC(C)Oc1cccc([C@H](C)Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)c1 603859902 JAJKRKQMUHKAMD-INIZCTEOSA-N 433.530 4.340 5 20 IIBD COc1ccc(-c2csc(NC(=O)c3cc(O)nc4ccc([N+](=O)[O-])cc34)n2)cc1F 609489841 BEBAIMSNVDCGKW-UHFFFAOYSA-N 440.412 4.372 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)ccc1[N+](=O)[O-] 609690872 JYGMDCTVUVQLIP-UHFFFAOYSA-N 425.438 4.030 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 609864447 KPCCSQXHRLAASO-UHFFFAOYSA-N 440.300 4.088 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)CCc1ccnc2ccccc12)c1ccccc1[N+](=O)[O-] 609906346 HMUNKANACXKUAC-NRFANRHFSA-N 435.480 4.275 5 20 IIBD CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C[C@@H]1N1CCCC1 614279135 JZWDDEACASDBFG-AZUAARDMSA-N 435.615 4.281 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC([C@H]4CCOC4)CC3)n2CCc2ccccc2)c1 619823850 JKGOCNRQYRRWQC-QFIPXVFZSA-N 447.539 4.349 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)Cc1sc(N2CCOCC2)nc1-c1ccccc1 619846212 ACFOVTHVAIPRAX-UHFFFAOYSA-N 438.553 4.229 5 20 IIBD C[C@H](OC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 725936987 NGGSDYJOHYFGPZ-OLZOCXBDSA-N 432.423 4.175 5 20 IIBD CC(C)COC(=O)N1CCC(COC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 726346098 PSNZMOPHFAOBQH-UHFFFAOYSA-N 447.513 4.380 5 20 IIBD O=C(Nc1ccccc1)[C@@H]1CCc2ccccc2N1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 726917550 CYFFJRPSOJIHDJ-NRFANRHFSA-N 446.419 4.103 5 20 IIBD COc1ccc(NC(=O)c2ccc(I)c([N+](=O)[O-])c2)cc1Cl 727747806 URBLJFYXSRVXJD-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD O=C(OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1[nH]c2ccccc2c1Cl 730705363 VHUIDTVBGGVKKL-ZDUSSCGKSA-N 427.844 4.191 5 20 IIBD COc1ccc(C(=O)N2CCC(C(=O)Oc3cccc([N+](=O)[O-])c3)CC2)c2ccccc12 732641184 CGMFVWSMORNPRI-UHFFFAOYSA-N 434.448 4.214 5 20 IIBD CCN1C(=O)N[C@H](c2csc(-c3cccc([N+](=O)[O-])c3)n2)C(C(=O)OCC(C)C)=C1C 733122365 ZMPVNAZLASSYPO-GOSISDBHSA-N 444.513 4.278 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCc1nc(-c2ccc(Br)s2)no1 734024211 INASKOYJYWSBCA-FPYGCLRLSA-N 436.243 4.225 5 20 IIBD C[C@@H](OC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)C(=O)Nc1ccccc1 736863552 MIZMJEKVLBKQLB-LLVKDONJSA-N 449.250 4.271 5 20 IIBD C[C@H](OC(=O)c1cc(OCc2ccccc2)ccc1O)C(=O)Nc1ccccc1[N+](=O)[O-] 738728817 OTICKWWWAPSBCO-HNNXBMFYSA-N 436.420 4.063 5 20 IIBD CC[C@@H](OC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)C(C)(C)c1ccccc1 740693709 DNDHLNXXJMXSGZ-OAQYLSRUSA-N 435.480 4.362 5 20 IIBD O=C1C[C@H](C(=O)N(c2ccccc2F)C2CCCC2)CN1c1ccc(F)c([N+](=O)[O-])c1 742222347 IXGOVBIHBPMYDN-AWEZNQCLSA-N 429.423 4.202 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)CCC2CCOCC2)c2ccccc2)c([N+](=O)[O-])c1 745658404 GMVNCTGEMKVPCF-JOCHJYFZSA-N 426.469 4.333 5 20 IIBD O=C(Nc1cccc(CN2CCCCC2=O)c1)c1ccc(Br)c([N+](=O)[O-])c1 747678692 DJAZZVCTQKGMOC-UHFFFAOYSA-N 432.274 4.122 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1ncccc1OCc1cccc(Cl)c1 747859646 VHZPIEWAQZQJNQ-UHFFFAOYSA-N 437.836 4.162 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1C[C@@H]1c1ccc(Br)cc1 748904626 UJPDQDPSHBQZLA-HZPDHXFCSA-N 444.241 4.254 5 20 IIBD C[C@H](OC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 748910185 KXYZMNLCSKYJDK-NILFDRSVSA-N 433.258 4.031 5 20 IIBD CCN(CC)C(=O)N1CCC(C(=O)Oc2ccc(Cc3ccccc3)cc2[N+](=O)[O-])CC1 749062045 HAOYFDSNDSQQRP-UHFFFAOYSA-N 439.512 4.265 5 20 IIBD O=C(NCc1cnn(Cc2ccccc2)c1)c1cc(Br)cc([N+](=O)[O-])c1Cl 749422765 XHSAVNPIZKCUHO-UHFFFAOYSA-N 449.692 4.186 5 20 IIBD COc1ccc(CN(C)C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1F 750823222 SMQPTMRNWQJYEC-UHFFFAOYSA-N 429.370 4.222 5 20 IIBD O=C(Oc1ccccc1Br)c1ccc([N+](=O)[O-])cc1I 751057931 ZIKORKLBEFCWSZ-UHFFFAOYSA-N 448.010 4.181 5 20 IIBD Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)OC(=O)Cc1ccc([N+](=O)[O-])cc1Br 756523975 BOTNKPKOQKSPBB-UONOGXRCSA-N 449.301 4.017 5 20 IIBD O=C(C[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Nc1ccc2ccccc2c1 760223293 JHWOBBFQUXMBCM-WJOKGBTCSA-N 435.461 4.290 5 20 IIBD O=[N+]([O-])c1cccc(Br)c1OS(=O)(=O)c1ccccc1C(F)(F)F 769924979 FEXJKZWXWZDSBM-UHFFFAOYSA-N 426.166 4.144 5 20 IIBD CCN(CCC1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1)CC1CC1 770721210 VHWMQEMNUYGZOU-UHFFFAOYSA-N 443.997 4.079 5 20 IIBD CCC(CC)n1ccc(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)n1 770863310 NRYIYLWUGJUBHA-LJQANCHMSA-N 442.516 4.394 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 773259699 BJAAXTHHLLIESZ-RHSMWYFYSA-N 439.390 4.455 5 20 IIBD COC(=O)[C@@H](OC(=O)c1sc(Br)cc1[N+](=O)[O-])c1cccc(Cl)c1 773606533 VNYOULMWYUHLHG-NSHDSACASA-N 434.651 4.143 5 20 IIBD C[C@@H](OC(=O)c1sc(N2CCCC2)nc1Cl)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 775887633 UEEYBWLVGPKESH-SNVBAGLBSA-N 449.876 4.273 5 20 IIBD CN1CCC(N(C)[C@H]2CCCC[C@H]2N(C)C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 775999193 SYXIFMJZTRVCFN-VQTJNVASSA-N 437.972 4.049 5 20 IIBD O=C(O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1cccc(OC[C@@H]2CCCO2)c1 776132482 FEXLHAWNBCTXQF-NZQKXSOJSA-N 434.448 4.494 5 20 IIBD O=C(CC[C@H]1Cc2ccccc2NC1=O)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776134324 AWHJOQURNDPGCT-GAJHUEQPSA-N 431.448 4.214 5 20 IIBD CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 776301250 RBQGAHJKXYRPIW-UHFFFAOYSA-N 437.418 4.113 5 20 IIBD CC1=C(C(=O)Nc2ccc(C)c(Cl)c2)[C@@H](c2ccc([N+](=O)[O-])cc2F)NC(=S)N1 777944577 RYWUSGZREGKLLU-QGZVFWFLSA-N 434.880 4.127 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 778034654 DIXATIPJGUVRSC-INIZCTEOSA-N 425.913 4.087 5 20 IIBD CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)ccc21 778673858 GWUKUCMMSYKCGC-UHFFFAOYSA-N 441.440 4.264 5 20 IIBD CCN1CCN(c2ccc(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)cc2)CC1 780200834 MTCBTDQDVWPKRJ-UHFFFAOYSA-N 426.520 4.076 5 20 IIBD COc1ccc([C@@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2)cc1 781573236 YOHUFHPCIYRKAK-QHCPKHFHSA-N 435.436 4.350 5 20 IIBD O=C(NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1sc2cccc(Cl)c2c1Cl 781839114 ZXYLWKHEAWPWQA-UHFFFAOYSA-N 449.268 4.374 5 20 IIBD O=C(Nc1cccc(C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1)c1cccnc1 782762522 LUVXSBZADRJLII-UHFFFAOYSA-N 444.403 4.254 5 20 IIBD CC(C)c1ccc(C(=O)N2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)cc1[N+](=O)[O-] 784152437 FNZKLGQHKXXOLU-YTQUADARSA-N 431.533 4.484 5 20 IIBD COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C 786724952 NIHSYVGQAGVGRD-LLVKDONJSA-N 449.312 4.425 5 20 IIBD CCc1cc2c(C)cc(=O)oc2cc1OC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] 786732587 BCZPLYWFYAUYLR-UHFFFAOYSA-N 449.362 4.401 5 20 IIBD COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Oc1cc([N+](=O)[O-])ccc1Cl 786859625 UFYMEXPHLHWCMK-SNVBAGLBSA-N 436.269 4.083 5 20 IIBD O=C(NCC1([C@H](O)c2ccccc2)CC1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 787468506 AHAZMCFXILTFTP-HSZRJFAPSA-N 432.476 4.417 5 20 IIBD O=C(OCc1ccc(Cl)nc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1SCCO 787767101 VISRAOGQLKPVHU-UHFFFAOYSA-N 436.795 4.103 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc(Br)cnc1Cl 787947728 SPHKPTNSSRCWHW-ZETCQYMHSA-N 435.061 4.465 5 20 IIBD Cc1cnc(COC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)c(C)c1[N+](=O)[O-] 789671981 OMEWDOHCUBFKGS-IBGZPJMESA-N 448.317 4.249 5 20 IIBD Cc1ccc(C(=O)Oc2ccc(Oc3ncc(Br)cn3)cc2)cc1[N+](=O)[O-] 789727072 NWEDGMDQMXURJO-UHFFFAOYSA-N 430.214 4.467 5 20 IIBD CCc1c(C(=O)OC[C@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])cnn1C(CC)CC 791804994 OVSAOIYOOXPPRV-QGZVFWFLSA-N 442.516 4.176 5 20 IIBD O=C(COc1cc(Cl)c(Cl)cc1[N+](=O)[O-])Nc1cc(Cl)ccc1-n1cncn1 794496626 LZRVKOOIPAERLX-UHFFFAOYSA-N 442.646 4.153 5 20 IIBD CC(C)c1[nH]nc(C(=O)OCc2ncc(-c3ccccc3Br)o2)c1[N+](=O)[O-] 796260334 PYKXOTVKBMVUTG-UHFFFAOYSA-N 435.234 4.216 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CN(Cc3ccccc3)C[C@H](O)c3ccccc3)n2)c1 796359847 YDYOFJAOGYZSOD-QFIPXVFZSA-N 430.464 4.381 5 20 IIBD Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 798083703 JHCOGXQTXOAXEK-UHFFFAOYSA-N 439.516 4.485 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1ccccc1C(F)(F)F 802507803 NUCAYZNSOPYTMA-UHFFFAOYSA-N 435.406 4.155 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Oc1cccc2cc(Br)cnc12 805124858 YYRYPYKJQMQZRF-UHFFFAOYSA-N 441.234 4.121 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 808469498 LOUGHZXANDEFFH-HDJSIYSDSA-N 425.913 4.309 5 20 IIBD CNC(=O)OC[C@@H]1CCCCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 809268504 BFXSUTNLYKMTEZ-INIZCTEOSA-N 447.875 4.391 5 20 IIBD CCOc1ccc([C@@H](O)C2CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)CC2)cc1 812668941 MTFPPYGIVYTSLK-JOCHJYFZSA-N 444.503 4.382 5 20 IIBD C[C@H](c1ccc(F)cc1)N1CC[C@H](OC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1=O 815223651 WXLCKTDCVDZMGT-DIFFPNOSSA-N 440.349 4.272 5 20 IIBD Cc1cc(Cl)c(C(=O)O[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)cc1[N+](=O)[O-] 815405738 HRRDBOYGTXPVAZ-QMMMGPOBSA-N 432.647 4.442 5 20 IIBD O=C(OCc1nnc(-c2ccccc2Cl)o1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 844240113 OOVLEWSEBKVEGC-UHFFFAOYSA-N 442.859 4.258 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)Nc1cccc(C(F)(F)F)c1 846285181 AGECZIXBKHDMLX-UHFFFAOYSA-N 437.374 4.009 5 20 IIBD COc1cc(C(=O)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)c([N+](=O)[O-])cc1OC 857625207 JFWCAHNEPUPPNJ-UHFFFAOYSA-N 425.368 4.201 5 20 IIBD COc1cc(CNc2cccc(N=S(C)(C)=O)c2)c([N+](=O)[O-])cc1OCC(F)F 864015315 LBVBHYUWZBIGAX-UHFFFAOYSA-N 429.445 4.219 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)NCc2ccccn2)c(Cl)c1 916086107 RZEVUGUWVQYFIJ-WDZFZDKYSA-N 436.855 4.225 5 20 IIBD COc1cc(-c2ccccc2)sc1C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1318129421 BBQJBDSJHROIEH-UHFFFAOYSA-N 437.521 4.290 5 20 IIBD CC1=C(C(=O)N(C)C)[C@@H](c2cc(Cl)ccc2[N+](=O)[O-])NC(=S)N1c1ccccc1C 1322011745 GLUZKYIJRPAQKG-LJQANCHMSA-N 444.944 4.355 5 20 IIBD COc1cc(-c2nnc(-c3cnn(-c4ccccc4)c3)o2)c([N+](=O)[O-])cc1OC(F)F 1322431303 BUTSWCMJZQPVDB-UHFFFAOYSA-N 429.339 4.108 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(COc3ccc4ccccc4c3)o2)c1N1CCOCC1 1326496678 CNOYOPACFZXRNX-UHFFFAOYSA-N 432.436 4.214 5 20 IIBD CC(C)Nc1nn(CN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c(=S)s1 1340630460 DUOZJHSULPAURE-UHFFFAOYSA-N 444.380 4.181 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3cccc(F)c3[N+](=O)[O-])cc2)CCC1)c1cscn1 1790698489 VXLMVSROWQUUEO-UHFFFAOYSA-N 440.456 4.252 5 20 IIBD O=C(/C=C/C1CCCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cc(F)ccc1[N+](=O)[O-] 1804315225 VNSSRKJAAWRGIX-VFICEKILSA-N 443.519 4.051 5 20 IIBD C/C=C/C(=O)N1CCC2(CCCN(C(=O)CCCc3cc(C)c(F)cc3[N+](=O)[O-])C2)CC1 1805821345 KDAAFAUGFKDHDP-ZZXKWVIFSA-N 445.535 4.172 5 20 IIBD O=C(c1ccc(F)s1)N1CCCC2(CCN(C(=O)c3cccc(F)c3[N+](=O)[O-])CC2)C1 1807288787 NCZKVXUKPUXKIX-UHFFFAOYSA-N 449.479 4.093 5 20 IIBD C/C=C(/C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1C)CC2 1825078885 IFSVSMWHCPFSLJ-FSIMMPEJSA-N 448.932 4.205 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCCC23CN(C(=O)c2cccc(F)c2[N+](=O)[O-])C3)s1 1843559837 OGRJNRCNKJZBQS-UHFFFAOYSA-N 445.516 4.224 5 20 IIBD COc1ccc(NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)c([N+](=O)[O-])c1 11582896 JWDIFAARGMZVQM-UHFFFAOYSA-N 432.860 4.251 5 20 IIBD CCc1cccc(C)c1Nc1nnc(SCc2ccc(C(N)=O)cc2[N+](=O)[O-])s1 16548215 SVXYNUNMCOQRRZ-UHFFFAOYSA-N 429.527 4.452 5 20 IIBD Cc1ccc(C2=NN(C(=O)COC(=O)c3ccccc3[N+](=O)[O-])[C@H](c3ccco3)C2)cc1 22109484 BHIZWZRUQISCDB-FQEVSTJZSA-N 433.420 4.031 5 20 IIBD Cc1cc(C)c(OCC(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)c1 24768997 QHKMKZHXUUUULR-UHFFFAOYSA-N 440.374 4.100 5 20 IIBD O=C(Nc1ccc(OC[C@@H](O)COc2ccc(Cl)cc2)cc1)c1cccc([N+](=O)[O-])c1 27214684 QPYQALYTQPFIGK-IBGZPJMESA-N 442.855 4.319 5 20 IIBD O=C(Nc1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1I 31663150 PXSBZGSNOWIAKO-UHFFFAOYSA-N 447.026 4.214 5 20 IIBD COc1ccc(NC(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@H]3C)cc2)c([N+](=O)[O-])c1 57561556 AEGXFICESDSBMU-HZPDHXFCSA-N 441.484 4.024 5 20 IIBD O=C1C[C@H](Nc2cccc(OCc3cccc(F)c3)c2)C(=O)N1c1cccc([N+](=O)[O-])c1 61021267 KWUCZAKABNHYJV-NRFANRHFSA-N 435.411 4.057 5 20 IIBD CCOc1ccc(NC(=O)CNc2ccc(C)cc2OCC(F)(F)F)c([N+](=O)[O-])c1 63470831 YGTCBFCZEBULHI-UHFFFAOYSA-N 427.379 4.294 5 20 IIBD CCOc1ccc(C(F)(F)F)cc1N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 63642044 PIFODPWNIZEVSK-NSHDSACASA-N 427.379 4.460 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1ccccc1COCc1ccccc1 71991033 JODKMOPHCXINFA-UHFFFAOYSA-N 426.494 4.099 5 20 IIBD COc1cc([N+](=O)[O-])ccc1OCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 72068039 RIKROUAIWZUNRJ-OAHLLOKOSA-N 427.438 4.015 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)CCc1nc2ccccc2n1-c1ccccc1 195711549 PRWVAKITDUYWQD-UHFFFAOYSA-N 430.464 4.191 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 301404767 KZDPMJNFDZAJFZ-SFHVURJKSA-N 438.267 4.436 5 20 IIBD COc1ccc(CSCC(=O)NCCc2nc3ccccc3n2C(C)C)cc1[N+](=O)[O-] 303728756 UNOADIKQAHEKFF-UHFFFAOYSA-N 442.541 4.126 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(Cc1ccco1)C[C@@H]1CCCO1 426285103 FHSYJFDVRHRACL-KRWDZBQOSA-N 427.379 4.097 5 20 IIBD O=C(c1cc(O)nc2c(Br)cccc12)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 427568340 FUAHYWQNIMRHJR-UHFFFAOYSA-N 442.269 4.416 5 20 IIBD C[C@H]1CN(Cc2ccccc2NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H](C)O1 430024591 GJSYQJMFKNHVQU-OKILXGFUSA-N 448.317 4.219 5 20 IIBD COc1ccc([C@H](NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c2ccccc2OC)cc1 430832595 HNWDKKCMODWZMF-DEOSSOPVSA-N 436.464 4.205 5 20 IIBD C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCc2ccccc21 436099964 MPXOCNGVRXXXBL-CQSZACIVSA-N 433.458 4.141 5 20 IIBD CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 437812068 VGSMIFGPYFHNFK-MRXNPFEDSA-N 434.443 4.182 5 20 IIBD CN(C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 437953668 KTXFFKXPTYTGOS-COPCDDAFSA-N 441.553 4.070 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)N(CCO)C1CCC1 439650266 QMFVKHAYAYREPS-UHFFFAOYSA-N 437.855 4.236 5 20 IIBD CC1(C)CCc2ccccc2[C@@H](NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 441385113 CCXANDRTVPKLLW-KRWDZBQOSA-N 427.526 4.006 5 20 IIBD CC(C)[C@H](c1ccccc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 447019179 BHNSBZWRVNZLOF-QGZVFWFLSA-N 427.320 4.375 5 20 IIBD O=C(NCc1ccc(OC(F)F)cn1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 447189966 HNIJLVVJKWPGSF-UHFFFAOYSA-N 428.395 4.133 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3ccc4c(c3)CC(=O)N4C)cc2[N+](=O)[O-])n1 447661191 PCFGUBHAHQJOSM-UHFFFAOYSA-N 440.506 4.282 5 20 IIBD CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 460466585 GFZLIUWMFMGIBD-IBGZPJMESA-N 437.883 4.252 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccccc1OC)C[C@H]1CCCO1 462438049 RGJVSVMTTPXHBR-DENIHFKCSA-N 426.513 4.380 5 20 IIBD CN(CCc1cccc(Br)c1)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl 463404760 NFJORBFIEYGQCW-UHFFFAOYSA-N 426.698 4.395 5 20 IIBD Cc1ccc(OCc2nc(CC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)cs2)cc1 466300754 UTYKKCYDADVTOC-UHFFFAOYSA-N 431.901 4.451 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)c1 470435377 AAXSMEWYVRKBRP-ZDUSSCGKSA-N 436.331 4.088 5 20 IIBD COC(=O)c1nc([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)sc1C 471339042 ZGJDNXSPQBKPHA-ZDUSSCGKSA-N 443.403 4.142 5 20 IIBD COC(=O)c1cc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c(C)cc1C 471567558 QXJQOHYAGRVVSZ-UHFFFAOYSA-N 433.269 4.106 5 20 IIBD Cc1ccc(SC2(CNC(=O)C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)CCCC2)cc1 472595566 IEVYNQYZWHFCBR-UHFFFAOYSA-N 431.489 4.202 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(CCO)Cc1cc(Br)ccc1F 475571996 WSBIKDKZRMXPOY-UHFFFAOYSA-N 440.269 4.140 5 20 IIBD C[C@@H](c1ccc(Cl)cc1Cl)N(C)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 477149451 KXEWWZWNWYJNGI-JTQLQIEISA-N 447.296 4.055 5 20 IIBD O=C(Nc1cccc2c1CCO2)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 477743100 GAANNDRHVYXRFB-UHFFFAOYSA-N 435.402 4.404 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 477959468 CDYBQXLCLNMODN-OAHLLOKOSA-N 449.385 4.026 5 20 IIBD COc1ccc(NC(=O)c2ccc(NC(=O)c3cc(OC)c(C)c([N+](=O)[O-])c3)cc2)cc1 478227641 CZWQYOLMSKKSRK-UHFFFAOYSA-N 435.436 4.425 5 20 IIBD COc1ccc(CSCC(=O)N2CCC(CCN3CCCC[C@H]3C)CC2)cc1[N+](=O)[O-] 478631289 KJNXYTQBWSHCGX-GOSISDBHSA-N 449.617 4.340 5 20 IIBD CCO[C@H](C)c1nc(COc2ccc(I)cc2[N+](=O)[O-])cs1 478892554 NJNRGMWSLWMTJI-SECBINFHSA-N 434.255 4.332 5 20 IIBD Cc1c(CNC(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)cccc1[N+](=O)[O-] 480066774 YAYDHHBJNXFNNZ-UHFFFAOYSA-N 438.406 4.080 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2cccc(C(C)(C)C)c2O)cc1[N+](=O)[O-] 480067585 BGYAGEKECARMLF-UHFFFAOYSA-N 427.486 4.130 5 20 IIBD Cc1ccc([C@@H](C)N[C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)cc1[N+](=O)[O-] 480213940 MVXHNDKTGJMEOC-MLGOLLRUSA-N 439.331 4.235 5 20 IIBD C[C@H]1CN(c2ccc(Nc3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])cn2)C[C@@H](C)O1 480692113 GZRWHLRHACVIIZ-PHIMTYICSA-N 447.364 4.396 5 20 IIBD Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NCc1cccc([N+](=O)[O-])c1C 481484916 VBIRVMPGZNNFBQ-UHFFFAOYSA-N 429.274 4.090 5 20 IIBD Cc1cc(=O)c(C(=O)N(Cc2ccc(F)cc2)C(C)(C)C)nn1-c1ccccc1[N+](=O)[O-] 484330609 DLVNHNWZJLMVMS-UHFFFAOYSA-N 438.459 4.029 5 20 IIBD Cc1nc2cc(Cl)c(NC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)cc2s1 484678926 LHFQXVCJCVBLLD-UHFFFAOYSA-N 446.872 4.493 5 20 IIBD CC(C)(CNC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(N)=O 485011671 AOAFCJNKZYCUHD-UHFFFAOYSA-N 441.431 4.006 5 20 IIBD CSc1cccc(C(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)c1[N+](=O)[O-] 485751202 IORNOMHHTJGWFT-UHFFFAOYSA-N 428.510 4.330 5 20 IIBD Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1C 485871666 BPSZLHBXAJHLGX-UHFFFAOYSA-N 436.859 4.489 5 20 IIBD CC(C)CNC(=O)c1ccc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 488361183 DPIBMWRQLYCBJZ-UHFFFAOYSA-N 438.406 4.321 5 20 IIBD CC(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 488826939 UNYZJOMIQWSLJF-UHFFFAOYSA-N 427.320 4.204 5 20 IIBD CCN(Cc1cnn(C)c1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 489748571 ZYUJAOLEMLQFRR-FQEVSTJZSA-N 427.892 4.184 5 20 IIBD C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 489852510 JMQOXVBPLQBNQF-HNNXBMFYSA-N 427.892 4.177 5 20 IIBD O=C(N[C@@H]1CCOC2(CCOCC2)C1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 491124191 RNYKYXGFVPMZBQ-QGZVFWFLSA-N 446.887 4.499 5 20 IIBD Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)Cc2ccncc2)cc1[N+](=O)[O-] 493074024 BKWGQRXROXUINW-UHFFFAOYSA-N 425.510 4.040 5 20 IIBD COc1cc(CN[C@H]2CCO[C@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC(F)F 494497920 YEOKCECJDRQEKC-KSSFIOAISA-N 428.819 4.478 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccccc2O[C@@H](C)C(F)(F)F)cc1[N+](=O)[O-] 498966168 HVONOTDZDGWLKJ-OLZOCXBDSA-N 439.390 4.049 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1cc(Br)ccc1F 498977459 IBXWOILIKJMDGY-UHFFFAOYSA-N 439.284 4.373 5 20 IIBD C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 499212424 PLFIDWBLBYYLTL-NSHDSACASA-N 441.431 4.024 5 20 IIBD CN(CC1CCN(c2ccncc2)CC1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 499447219 HUZSBMXFNYMAJC-UHFFFAOYSA-N 437.525 4.102 5 20 IIBD O=[N+]([O-])c1ccccc1S(=O)(=O)N(Cc1ccccn1)c1ccc(Br)cc1 500484560 GJJUQHISRGTBDN-UHFFFAOYSA-N 448.298 4.148 5 20 IIBD CC(=O)N1CCCc2cc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)ccc21 502040014 KIWWKYMQCIULKT-UHFFFAOYSA-N 436.512 4.383 5 20 IIBD COc1ccc([C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])c2ccccc2OC)cc1 502368137 RKJQXJMFIKPILJ-XMMPIXPASA-N 435.480 4.320 5 20 IIBD C[C@@H](c1ccccc1Br)N(C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 503593606 ATZDLLFEQPSWRF-ZDUSSCGKSA-N 429.274 4.376 5 20 IIBD Cn1ccnc1Sc1ccc(F)cc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 503615303 GJHASVHPWCMBBC-UHFFFAOYSA-N 427.461 4.445 5 20 IIBD Cc1c(Cl)cccc1NC(=O)CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 505296994 CUZKMQHYUMNBMN-UHFFFAOYSA-N 447.922 4.262 5 20 IIBD CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 505793238 SCHGJOOOBDMMPT-UHFFFAOYSA-N 426.448 4.315 5 20 IIBD CCc1cc(=N[C@@H](c2ccc(F)cc2)c2nccn2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 507101377 DLXAGECDWUQOJK-NRFANRHFSA-N 432.459 4.110 5 20 IIBD O=C(COc1c([N+](=O)[O-])cnc2ccc(Br)cc12)N1CCC[C@H]2CCCC[C@@H]21 508162262 KHCZQQBQHUOIQU-DYVFJYSZSA-N 448.317 4.466 5 20 IIBD O=C(Nc1ccccc1Br)c1ccc([N+](=O)[O-])cc1I 508877820 YYOVDVSLWUNSJM-UHFFFAOYSA-N 447.026 4.214 5 20 IIBD COc1cc(S(=O)(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)ccc1[N+](=O)[O-] 509248671 OJYVGTYXEUMGAA-UHFFFAOYSA-N 425.875 4.181 5 20 IIBD COc1ccc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1Br 509687686 JWSKMLARHBETTJ-UHFFFAOYSA-N 436.306 4.486 5 20 IIBD C[C@@H]1C[C@@H](CCNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CN1Cc1ccccc1 510102969 TWSKNHWPAFXPHR-TZIWHRDSSA-N 436.556 4.226 5 20 IIBD COc1cc(C(=O)N2CC[C@H](CN(C)C)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 510986448 MUEINHAJIMFKER-CQSZACIVSA-N 433.892 4.073 5 20 IIBD CC(C)(c1ccccc1)c1nnc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)s1 517363211 AFHHPZQHSWQOQL-UHFFFAOYSA-N 434.481 4.210 5 20 IIBD Cc1c(C(=O)NCCc2ccc([N+](=O)[O-])cc2)nnn1-c1ccc(-c2ccccc2)cc1 517478921 QFMALPRWEWHUHO-UHFFFAOYSA-N 427.464 4.123 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 518312286 RPRLGGFXUGEXPQ-QGZVFWFLSA-N 440.500 4.118 5 20 IIBD C[C@H](c1cccc([N+](=O)[O-])c1)c1nc(Cc2cc3c(cc2Br)OCO3)no1 518352565 AWKAZFJOVNIGFX-SNVBAGLBSA-N 432.230 4.212 5 20 IIBD COc1ccc(-c2nc(NC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)sc2C)cc1 520015096 MFWRVAQUDNPKDE-UHFFFAOYSA-N 435.465 4.473 5 20 IIBD O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H](O)COc2cccc(C(F)(F)F)c2)o1 520216388 ASUKBIOSXWZZBI-OAHLLOKOSA-N 436.386 4.403 5 20 IIBD CCc1c(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)nnn1-c1cccc(Cl)c1 520974739 GKBSLAPNKWIWLV-UHFFFAOYSA-N 437.847 4.034 5 20 IIBD O=C(NCC(=O)N1CCc2ccccc2C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 522557625 XSOJWBMWPOMKTL-UHFFFAOYSA-N 447.516 4.061 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 523300471 SFROOJMMDQYAKP-CQSZACIVSA-N 428.832 4.024 5 20 IIBD O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1cccc(-n2nccc2C(F)(F)F)c1 523549395 FLHRJTAYBTZWRB-UHFFFAOYSA-N 442.357 4.442 5 20 IIBD COC(=O)c1cc(C(=O)N2CCCN(Cc3ccccc3)c3ccccc32)cc([N+](=O)[O-])c1 524110782 IHZBKCWDFLVENL-UHFFFAOYSA-N 445.475 4.439 5 20 IIBD CCc1ccc(O)c(NC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])c1 530827814 MQQRJBIGSDEIFY-UHFFFAOYSA-N 429.454 4.159 5 20 IIBD Cc1ccc(C(=O)NCC(F)(F)F)cc1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534792555 GADCEWLKNGHEFM-UHFFFAOYSA-N 434.374 4.462 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 535986280 FHAKHAKDSONKBL-WMLDXEAASA-N 432.249 4.357 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(n2c(CC)nc3ccccc32)CC1 537868335 PDDBNVVSGBFSFU-UHFFFAOYSA-N 442.541 4.095 5 20 IIBD COc1cc(C)nc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)n1 539375090 YEDYILKGQVWJKR-UHFFFAOYSA-N 444.831 4.408 5 20 IIBD COc1ccc(NC(=O)CN[C@@H](C)c2sc(-c3ccc(F)cc3)nc2C)c([N+](=O)[O-])c1 541656378 YTODZWACILLHIW-LBPRGKRZSA-N 444.488 4.464 5 20 IIBD C[C@@H](NC(=O)CSc1ccccc1[N+](=O)[O-])[C@H](OC1CCOCC1)c1ccccc1 544089247 CMURULFSYJUGCP-ZHRRBRCNSA-N 430.526 4.129 5 20 IIBD Cc1cccn2cc(Cc3noc(CCNc4ccc(C(F)(F)F)cc4[N+](=O)[O-])n3)nc12 545679099 LORUNMWVTVSVKW-UHFFFAOYSA-N 446.389 4.198 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2nnn(-c3ccc(OC(F)F)cc3)c2C)n1 546401072 FZNHTXDDBAGFRZ-UHFFFAOYSA-N 428.355 4.111 5 20 IIBD O=c1c2cccc(Br)c2ncn1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F 549041441 GTFULCNLCAUPEL-UHFFFAOYSA-N 428.164 4.134 5 20 IIBD CCOC(=O)[C@@H](NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc(OC)c(F)c1 549553931 JKARCSCAAVJUSF-KRWDZBQOSA-N 430.354 4.155 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CC[C@H](c4ccccc4)C3)n2C[C@@H]2CCCCO2)c1 549651728 SPWBHZPSSDWSDZ-UNMCSNQZSA-N 433.512 4.416 5 20 IIBD CC(=O)c1cc(N(C)Cc2cccc(NS(=O)(=O)c3ccccc3)c2)ccc1[N+](=O)[O-] 553373300 WCHSWYHWVHOVSS-UHFFFAOYSA-N 439.493 4.235 5 20 IIBD C[C@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@H](c2cccc(C(F)(F)F)c2)O1 553723478 VXUSYWZVZUZHDA-IFXJQAMLSA-N 438.402 4.371 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 557093336 XTDDXMMPWVOCGF-MOPGFXCFSA-N 449.429 4.186 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 559519464 OKIAYPFTXZWFBN-KRWDZBQOSA-N 448.273 4.036 5 20 IIBD C[C@@H](C(=O)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 562397731 YULJBHMYYOKZOX-AUUYWEPGSA-N 449.429 4.197 5 20 IIBD COC(=O)c1cc(F)c(Br)cc1NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] 565086893 IKGURQRMDZKRQO-UHFFFAOYSA-N 445.628 4.497 5 20 IIBD O=C1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)[C@@H](C2CC2)N1 568670174 PARPRMWOJPKZER-YLJYHZDGSA-N 445.928 4.186 5 20 IIBD Cc1c(CNC(=O)NCc2cccc(-c3nc(CC(F)(F)F)no3)c2)cccc1[N+](=O)[O-] 573414529 GASYINIFPZLLEO-UHFFFAOYSA-N 449.389 4.057 5 20 IIBD CO[C@H](c1ccc(F)cc1)c1noc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 574365007 SBIXOTFMNMOUQT-RBUKOAKNSA-N 440.431 4.138 5 20 IIBD Cn1ccnc1[C@@H](NC[C@@H]1CCCCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 575167583 JEPHMKNMYNVCJX-URXFXBBRSA-N 433.556 4.310 5 20 IIBD COc1ccc(C[C@@H]2CCCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)C2)cc1 581916700 NGOADQZZEVMBNL-FQEVSTJZSA-N 437.540 4.301 5 20 IIBD CCN(C(=O)c1cc([N+](=O)[O-])cnc1N)[C@@H]1CCSc2ccc(Br)cc21 582994606 JHZJRBAHSUCBSJ-CQSZACIVSA-N 437.319 4.034 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CNc2cccc(Cn3cccn3)c2)c1 589310694 GGAQZWJEDWUUGB-UHFFFAOYSA-N 434.237 4.056 5 20 IIBD Cn1cc(-c2nc(-c3ccc(Br)cc3)no2)c(-c2ccc([N+](=O)[O-])cc2)n1 589592763 GCMPGFDGGKJUSL-UHFFFAOYSA-N 426.230 4.475 5 20 IIBD COC(=O)c1cc(-c2csc(NC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)n2)c[nH]1 603446759 IQPVYSYYEUCETP-UHFFFAOYSA-N 428.470 4.383 5 20 IIBD CC(=O)Nc1cccc(-n2c(SCCOc3cccc([N+](=O)[O-])c3)nnc2C2CC2)c1 603724592 DZBKNJXYLTYJAQ-UHFFFAOYSA-N 439.497 4.182 5 20 IIBD Cc1ccc(C(=O)Nc2cccc(CNC(=O)N(C)Cc3ccccc3[N+](=O)[O-])c2)cc1 604102417 XISLRLUAAOYLBI-UHFFFAOYSA-N 432.480 4.497 5 20 IIBD COc1cccc2c1OCC[C@@H]2NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 604571075 VQOVPADCFQYOGW-AWEZNQCLSA-N 439.390 4.064 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C1CC1)[C@H](C)c1cccc(C(F)(F)F)c1 608878113 NFCYCQKLRHBLGE-ZIAGYGMSSA-N 449.429 4.484 5 20 IIBD CCN(CC)CCOc1ccc(C(=O)Nc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)cc1 608963367 NOWKKQZVEZGBQH-UHFFFAOYSA-N 437.500 4.062 5 20 IIBD C[C@@H]1CCCN(c2ccc(C(=O)N3CCO[C@@H](c4ccc(F)c(F)c4)C3)cc2[N+](=O)[O-])C1 608964935 OQQTYTCTRCXSPH-IVZQSRNASA-N 445.466 4.323 5 20 IIBD O=[N+]([O-])c1cc2c(c(Cn3cc(Br)c(-c4ccc(F)cc4)n3)c1)OCOC2 609221469 ZGMGFWJYTDYQEN-UHFFFAOYSA-N 434.221 4.275 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(NC(=O)CCN3CCCCC3)c2)c1 609426699 JMAZIBYBVYUQOH-UHFFFAOYSA-N 442.541 4.384 5 20 IIBD COC(=O)c1cc(C(=O)Nc2cccc(CSC3CCOCC3)c2)cc([N+](=O)[O-])c1 609699160 OFBAOWJURCSWRK-UHFFFAOYSA-N 430.482 4.046 5 20 IIBD O=C(NCCc1ccc(Br)cc1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 609773493 GVQQWKDPLLAQNB-UHFFFAOYSA-N 430.205 4.323 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@@H]1[C@@H](O)C(F)(F)F 609845697 JTGUKDIHZHVUIO-IAGOWNOFSA-N 425.363 4.307 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl 609847784 JIHIUQDMWQOOCC-QMTHXVAHSA-N 428.320 4.054 5 20 IIBD CCc1ccc([C@@H]2COCCN2C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 609869074 APBWKEUZNOVHGX-KRWDZBQOSA-N 441.406 4.171 5 20 IIBD CCCN(C(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)[C@H](CC)c1ccccc1 609943290 OFILWAIHNFSZRN-GOSISDBHSA-N 441.484 4.085 5 20 IIBD O=[N+]([O-])c1ccc(CCN2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)cc1 610003223 XPRIRYFETANSGR-UHFFFAOYSA-N 426.517 4.218 5 20 IIBD Cc1ccc(NCCCNC(=O)N(C)Cc2ccccc2N2CCCC2)c([N+](=O)[O-])c1 610101971 MMJUKOCULDDCPR-UHFFFAOYSA-N 425.533 4.147 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccn(-c3ncccc3F)n2)cc1[N+](=O)[O-])c1ccccn1 611163723 UZWITQAOVPKMQY-AWEZNQCLSA-N 447.430 4.135 5 20 IIBD O=[N+]([O-])c1cc2c(c(CSc3nnc(NCCc4ccccc4)s3)c1)OCOC2 611196472 HMPLXIQKHQQKBY-UHFFFAOYSA-N 430.511 4.260 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(N2CCN(C(C)C)CC2)CC1 611479452 GLSLBKGEABZVKT-UHFFFAOYSA-N 448.633 4.118 5 20 IIBD O=[N+]([O-])c1ccc2ncnc(N3CCO[C@H](c4ccc(F)c(Br)c4)C3)c2c1 613896372 XVXPKAIDZRMHSB-KRWDZBQOSA-N 433.237 4.018 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@@H]2CCc3cc(O)ccc3C2)cc1[N+](=O)[O-])c1ccccn1 618250284 VEMUSPXHOFQTDM-HNAYVOBHSA-N 432.480 4.156 5 20 IIBD CCOc1ccc2c(c1)[C@@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])CCO2 618394519 NBADGADORDOGRD-NSHDSACASA-N 427.276 4.071 5 20 IIBD O=C(NC1CCN(Cc2coc(-c3ccccc3)n2)CC1)c1cc([N+](=O)[O-])ccc1Cl 725909290 KPCOHVOYSVATEH-UHFFFAOYSA-N 440.887 4.298 5 20 IIBD O=[N+]([O-])c1ccc2c(cnn2CN2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1 726591719 MBABIXNSQODLPG-OAHLLOKOSA-N 438.875 4.485 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 727323711 WZRKZTGZXNTEQX-NVNXTCNLSA-N 436.512 4.451 5 20 IIBD COc1ccc(Nc2nc(COC(=O)Cc3ccc(OC)c([N+](=O)[O-])c3)cs2)cc1 727883628 QRROCUSCEIMSIQ-UHFFFAOYSA-N 429.454 4.098 5 20 IIBD Cc1ccnc(Oc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)ccc2C)c1 742005760 RURSSFVZBJJSTB-UHFFFAOYSA-N 448.479 4.488 5 20 IIBD CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 742587343 AAYXDOXGHALTQX-CYBMUJFWSA-N 431.411 4.133 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 742995947 ZLVRACZPJRJFEP-HSZRJFAPSA-N 430.460 4.234 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])cn1)O[C@H](c1ccccc1)c1cc(Br)ccc1F 744182961 ICZGSSWWIOOHCX-GOSISDBHSA-N 434.221 4.026 5 20 IIBD CCOc1ccc(S(=O)(=O)NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c2ccccc12 744257057 AWBZJMIQUCGGTG-UHFFFAOYSA-N 440.433 4.012 5 20 IIBD O=C(OCC(=O)N(Cc1ccco1)c1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 749075179 WPGOCHPONLHREZ-UHFFFAOYSA-N 449.463 4.178 5 20 IIBD COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1N1CCCCC1=O 751082594 CGFIWNBBPZCODX-UHFFFAOYSA-N 448.273 4.135 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cccn2Cc2ccncc2)cc1)c1cccc([N+](=O)[O-])c1 751305492 HDROAMJDTDLMSP-UHFFFAOYSA-N 442.431 4.311 5 20 IIBD O=C(COC(=O)c1c(F)ccc([N+](=O)[O-])c1F)N[C@H](Cc1ccccc1)c1ccccc1 752560181 VGUDNWZMMPIOKJ-GOSISDBHSA-N 440.402 4.130 5 20 IIBD C[C@@H](OC(=O)CCn1cc([N+](=O)[O-])cn1)c1ncc(-c2ccc(Cl)cc2Cl)o1 753353157 LEECGJAIBKBZTB-SNVBAGLBSA-N 425.228 4.448 5 20 IIBD Cc1nn(C)c(C)c1CCC(=O)O[C@@H](c1ccc(Br)cc1)C(C)(C)[N+](=O)[O-] 753944831 GJQCJUSYZZYTSQ-SFHVURJKSA-N 438.322 4.072 5 20 IIBD C[C@@H](CC(=O)O[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccncc1 754943007 TXTIAYATYILYTA-UONOGXRCSA-N 440.481 4.177 5 20 IIBD COc1ccc([C@H](C)CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1 755014114 LJRPJPCRHLSKDD-LLVKDONJSA-N 425.254 4.429 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2cnc(Cc3ccccc3)s2)cccc1[N+](=O)[O-] 756539284 FEHANWGSYOXDMT-CQSZACIVSA-N 425.466 4.135 5 20 IIBD Cc1ccc(-c2noc(-c3cc(NC(=O)OCC(F)(F)F)ccc3O)n2)cc1[N+](=O)[O-] 761639218 RJSUBAFGSIFBQH-UHFFFAOYSA-N 438.318 4.437 5 20 IIBD O=[N+]([O-])c1ccc(Oc2ccc(-c3noc(Cc4csc(-c5nc[nH]n5)n4)n3)cc2)cc1 761858821 QIGIVQNQOQKVGI-UHFFFAOYSA-N 447.436 4.270 5 20 IIBD CCc1noc2ncc(S(=O)(=O)Oc3ccc([N+](=O)[O-])cc3Cc3ccccc3)cc12 762519541 DJCLAIAMLXGCBH-UHFFFAOYSA-N 439.449 4.052 5 20 IIBD O=C(OCc1csc(-c2ccc(F)cc2)n1)c1cc([N+](=O)[O-])ccc1SCCO 763744248 VFOFVGRHUVIKNI-UHFFFAOYSA-N 434.470 4.299 5 20 IIBD CCCN(Cn1nc(-c2ccc([N+](=O)[O-])cc2)n(CC)c1=S)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 765032546 XBPPLEKEVSHBED-OTWHNJEPSA-N 445.589 4.492 5 20 IIBD COc1ccc(Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)cc1N1CCOC1=O 765044950 YGRUDOYHQBKLSS-UHFFFAOYSA-N 436.424 4.278 5 20 IIBD Cc1sc(S(=O)(=O)Oc2ccc(-c3cnc4ccccc4n3)cc2)cc1[N+](=O)[O-] 767802353 SVKIEUOYXLZNAX-UHFFFAOYSA-N 427.463 4.343 5 20 IIBD Cc1ccc(Cc2nc(C(=O)O[C@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)cs2)cc1 768802364 RJYDOHZBFKEWML-MSOLQXFVSA-N 426.498 4.488 5 20 IIBD O=C(Cc1cccc(OCC(F)(F)F)c1)Nc1ccc(Br)c([N+](=O)[O-])c1 770329963 FEBCPFRGXGLOMU-UHFFFAOYSA-N 433.180 4.480 5 20 IIBD C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 770373646 JNDSSLQKQDXISV-HUUCEWRRSA-N 432.546 4.453 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1OS(=O)(=O)c1cc(Br)sc1Cl 771184266 LPMYDYHTRWVODG-UHFFFAOYSA-N 433.088 4.493 5 20 IIBD Cn1cccc1[C@H]1CCCCCN1C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O 773748390 AFUIAVGHPNZSCE-MRXNPFEDSA-N 443.891 4.236 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1n[nH]c(-c3ccccc3)c1Br)CC2 773996718 NZCHSVQKEVKZAV-UHFFFAOYSA-N 427.258 4.259 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCC(N(C)C)CC2)cc1 774846958 IBGIJJXQJGZYMO-INIZCTEOSA-N 428.558 4.245 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCC(N(C)C)CC2)cc1 774846959 IBGIJJXQJGZYMO-MRXNPFEDSA-N 428.558 4.245 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1OS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 777909108 RNPKGTNTRPVRTO-LLVKDONJSA-N 448.280 4.085 5 20 IIBD COc1cc(COC(=O)c2c(C)c3ccccc3oc2=O)c([N+](=O)[O-])cc1OCC(F)F 780067089 SXLLVEPGQSHQDN-UHFFFAOYSA-N 449.362 4.019 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(N[C@@H](CCO)c3ccccc3Br)CC2)cc1 781923306 LWXZYKPGFLQCBG-FQEVSTJZSA-N 434.334 4.039 5 20 IIBD CN(Cc1ccccc1)c1ccc(NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 783474899 JGMWUXWAIKNYPO-UHFFFAOYSA-N 438.871 4.462 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N[C@H](CC2CC2)c2ccccc2)cc1[N+](=O)[O-] 784718486 NDMUITINJOKFOP-MRXNPFEDSA-N 446.301 4.262 5 20 IIBD CCC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br 784738795 SMXLADPZZQJQKD-HNNXBMFYSA-N 448.317 4.132 5 20 IIBD COC[C@@H](c1ccc(Cl)cc1)N(C)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] 784812725 LRVKHFMPJBOXGC-INIZCTEOSA-N 434.848 4.068 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1cccnc1F 789012996 QXWSDONUIVEVEV-KRWDZBQOSA-N 429.791 4.319 5 20 IIBD O=C(O[C@@H]([C@H]1CCCOC1)C(F)(F)F)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 791016623 KLMMVZUTOQEZOZ-ZANVPECISA-N 431.285 4.050 5 20 IIBD CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 791141756 WCOSYLWRFKWMTA-QGZVFWFLSA-N 449.910 4.149 5 20 IIBD Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 791981293 HFIYESMCPGQOQI-FNHZYXHNSA-N 429.904 4.158 5 20 IIBD CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccc(OCC(F)(F)F)cc1 796113243 ZOVDTUJJVFPFQS-UHFFFAOYSA-N 429.370 4.136 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Oc1ccc(C(F)(F)F)cc1F 797007221 OJUAMVRBSOPTBD-UHFFFAOYSA-N 428.294 4.046 5 20 IIBD CC(C)(C)OC(=O)NC[C@@]1(C)CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 800878903 NLMXIPGMCYOFJE-HSZRJFAPSA-N 442.516 4.310 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1 801962112 WRGMMKIPRAVFTP-SFHVURJKSA-N 427.411 4.213 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2-c2nc(Cc3nncn3-c3ccccc3)no2)CC1 809491855 QDKZJZSWAJEFLP-UHFFFAOYSA-N 445.483 4.053 5 20 IIBD CCc1ccc([C@H](NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C(C)C)cc1 810345059 AOIKZKUDICPFJS-GOSISDBHSA-N 448.317 4.372 5 20 IIBD CCOc1ccc([C@H](O)C2CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)CC2)cc1 812676778 WKVLCZAJCAFXPW-QFIPXVFZSA-N 426.513 4.243 5 20 IIBD CCO[C@@H]1C[C@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@@H]1Oc1ccccc1 813525571 XCTFDVYVKBBUGV-JZXOWHBKSA-N 425.268 4.256 5 20 IIBD C[C@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(N2CCCOC2=O)cc1 814249628 LYYCNRVIJVNSSX-UONOGXRCSA-N 446.891 4.273 5 20 IIBD CCOc1ccccc1[C@H](CC)NC(=O)COC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl 815404238 BEZIQAGFHLIMLK-KRWDZBQOSA-N 434.876 4.380 5 20 IIBD COc1ccc(CN(C)C(=O)[C@H](OC(=O)c2cc(SC)ccc2[N+](=O)[O-])C(C)C)cc1 878281872 MPWBFSVWIYJKCC-HXUWFJFHSA-N 446.525 4.165 5 20 IIBD NC(=O)c1ccc(SCc2nc(-c3ccsc3C(F)(F)F)no2)c([N+](=O)[O-])c1 904926049 BCQWKGSKLGMLKZ-UHFFFAOYSA-N 430.389 4.116 5 20 IIBD CCCN(C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)[C@H](C)c1ccccc1OC 914507505 DZYFZWMCUWKIJK-HZPDHXFCSA-N 443.475 4.095 5 20 IIBD COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cc1NC(=O)OC(C)(C)C 915165910 SIQYMJRKFNBPEZ-UHFFFAOYSA-N 430.461 4.269 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(OC(=O)c2cc3ccccc3s2)c([N+](=O)[O-])c1 916958480 IXJQPWCRTZMCRT-UHFFFAOYSA-N 434.495 4.059 5 20 IIBD O=C(Nc1nc(Cc2ccc(Br)cc2)cs1)c1ccc([N+](=O)[O-])c(O)c1 918139964 OBBTWFVWADCDIH-UHFFFAOYSA-N 434.271 4.363 5 20 IIBD Cc1ccc(-c2csc(NC(=O)[C@@H]3CC(c4cccc(F)c4)=NO3)n2)cc1[N+](=O)[O-] 918557352 ARUUOAYCBRSGGJ-SFHVURJKSA-N 426.429 4.298 5 20 IIBD O=C(OCc1nc(O)c2ccc(C(F)(F)F)cc2n1)c1cc2cc([N+](=O)[O-])ccc2o1 919213002 GJQZYAPEXZCNLH-UHFFFAOYSA-N 433.298 4.366 5 20 IIBD Cc1c(C(=O)OCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2cccc(F)c12 920148166 PYOVWTDKHAJDTJ-UHFFFAOYSA-N 436.848 4.497 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(-c3ccccc3NS(=O)(=O)c3cccs3)o2)c(F)c1 1117208685 GACGVXNYGHMMBB-UHFFFAOYSA-N 446.441 4.313 5 20 IIBD O=C(NCCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccccc1C(F)(F)F 1321654307 QOAVRLQFRZMDJV-UHFFFAOYSA-N 433.386 4.393 5 20 IIBD Cc1c(Br)cc(-c2nnc(Cn3c(C)nc4ccccc43)o2)cc1[N+](=O)[O-] 1327286479 WTIYKZWKPREQDX-UHFFFAOYSA-N 428.246 4.422 5 20 IIBD CS(=O)(=O)c1ccc(-c2nnc(-c3cc4c(s3)CCCCCC4)o2)cc1[N+](=O)[O-] 1327895531 LDLYMIJSCXWOSJ-UHFFFAOYSA-N 433.511 4.436 5 20 IIBD CC(C)CC(=O)Nc1ccc(C2(NC(=O)c3cc([N+](=O)[O-])cc4c3OCC4)CCC2)cc1 1787662960 SXZYCINQCPDYKK-UHFFFAOYSA-N 437.496 4.324 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CC2CCCC2)[nH]n1)c1ccc([N+](=O)[O-])cc1F 1821050829 AORASBCFZTVVAA-IBGZPJMESA-N 443.479 4.343 5 20 IIBD CC(C)(C)CC(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])sc2C1 1828251284 GVYRNMMDHZOFEU-KUCQQTCKSA-N 442.541 4.113 5 20 IIBD CC1(C)CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(F)c3[N+](=O)[O-])CC2)C1 1831930987 LGFIVGUBJMPJKF-HXUWFJFHSA-N 445.535 4.403 5 20 IIBD CC1CCN(C(=O)[C@H](C)OC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 4893484 IBOCUJOZOOBBBZ-KRWDZBQOSA-N 425.485 4.011 5 20 IIBD CC1CCN(c2ccc(C(=O)N(C)[C@@H](C)c3ccc(-n4cncn4)cc3)cc2[N+](=O)[O-])CC1 20016440 GNGHRZYLJLQLSN-SFHVURJKSA-N 448.527 4.245 5 20 IIBD C[C@H](OC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)NCC(F)(F)F 24853781 YEIYLDAWUCBDDB-JTQLQIEISA-N 446.765 4.264 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 30392133 ZSYPFEOPWYGROE-HNNXBMFYSA-N 437.427 4.070 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CC(=O)Nc1c(Cl)cccc1Cl 31298423 HEVBHVRKKPFGEM-UHFFFAOYSA-N 439.299 4.109 5 20 IIBD C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 68927413 LBMKQONIBJOKCM-HUUCEWRRSA-N 429.448 4.155 5 20 IIBD Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 71924987 PXRGBARYIFNSAC-GFCCVEGCSA-N 441.431 4.315 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc2)c(C)c1[N+](=O)[O-] 104885006 IROQGWYMIOYYSW-UHFFFAOYSA-N 429.820 4.270 5 20 IIBD CCCCC1CCC(c2cc(NC(=O)C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n[nH]2)CC1 426444815 XFRQKWYYFANAEC-UHFFFAOYSA-N 427.505 4.668 5 20 IIBD CC(C)Oc1ccc(CC[C@H](C)NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)cc1 427924552 KERQSMKUICYYMI-KRWDZBQOSA-N 437.496 4.447 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O 430658141 XACXBHBUWZZDCK-UHFFFAOYSA-N 429.432 4.201 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N(Cc1ccc(Cl)cc1)Cc1cnn(C)c1 432429928 QPZPVKPUSUIHBY-UHFFFAOYSA-N 429.864 4.225 5 20 IIBD COc1ccc(OCCCNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc1 436150972 UINMCKCGVCQLKJ-UHFFFAOYSA-N 438.430 4.167 5 20 IIBD CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(O)c([N+](=O)[O-])c1 436635563 LRSYTVDQADRWAI-UHFFFAOYSA-N 426.256 4.098 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N2C[C@@H](C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] 439229174 KFYMTHRGCATHES-DIFFPNOSSA-N 425.304 4.047 5 20 IIBD COc1cc(NC2CCN(C(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)cc(OC)c1 439506049 PWNNJRVUHIRZKF-UHFFFAOYSA-N 427.501 4.452 5 20 IIBD CC(C)N1CCC(N[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 439651200 FUVQNOJNIAEJFJ-OAQYLSRUSA-N 430.936 4.390 5 20 IIBD Cc1c(CN(c2ccc(Br)cc2Cl)S(C)(=O)=O)cccc1[N+](=O)[O-] 439716985 SMUSCOJAUKNPJJ-UHFFFAOYSA-N 433.711 4.285 5 20 IIBD COC(=O)c1cc(Br)cc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])c1Cl 440151511 BTLZSDIRBRLCRT-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)cc(F)c2F)c(Br)c1 442236502 ULXMIIPKUUURQC-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD COc1ccc([C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c2ccccc2OC)cc1 443458695 ARVHMIOVKVECQF-DEOSSOPVSA-N 435.480 4.238 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 444892937 CYYJQOGJLUKAFO-UHFFFAOYSA-N 446.529 4.214 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCC(CO)(Cc2ccccc2)CC1 444956143 SKTNMWOGMRMMKD-UHFFFAOYSA-N 437.418 4.463 5 20 IIBD COc1cc(Cc2noc(CCc3ccc(-c4ccccc4)[nH]3)n2)c([N+](=O)[O-])c(OC)c1 445817973 IBXNOEPUFMCWDS-UHFFFAOYSA-N 434.452 4.366 5 20 IIBD COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)C2)n1 446783082 DOKWFLHSZLDNBB-OAHLLOKOSA-N 439.493 4.452 5 20 IIBD C[C@H]1CN(c2cccc3cnccc23)CCN1c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 447688295 LKYNUSNSZMXJLX-SFHVURJKSA-N 445.523 4.094 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[C@@H](CN4CCCCC4)C3)cc2[N+](=O)[O-])C1 461414859 ACCLAUHVWYKJFS-AQNXPRMDSA-N 428.577 4.025 5 20 IIBD Cc1cnc([C@H](NC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C2CC2)s1 465626396 IDDPPQFQMCBFRS-OAHLLOKOSA-N 443.451 4.241 5 20 IIBD O=C(COc1ccccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)Nc1cccnc1 466260528 WKMIJJLDRGIQQT-UHFFFAOYSA-N 448.460 4.474 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCOc2ccc(Br)cc21 468206150 LMOXADHQBYOJQG-UHFFFAOYSA-N 431.164 4.415 5 20 IIBD CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)c1[N+](=O)[O-] 468819083 CLSYJEIDNSTZRL-CYBMUJFWSA-N 425.258 4.320 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCO[C@@]4(CCO[C@@H]4C)C3)cc2[N+](=O)[O-])cc1 470674242 KETFIGDUHFZEMU-ZHRRBRCNSA-N 428.510 4.074 5 20 IIBD O=C(Nc1cnc2ccccc2n1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 475057899 KLJKGFNRBSPRAM-UHFFFAOYSA-N 445.401 4.412 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CNCCCCn3cc(Br)cn3)cs2)c1 475212799 NUBCWTMUAQMAKG-UHFFFAOYSA-N 436.335 4.247 5 20 IIBD Cc1ccc(C)c([C@H]2CCCN2C(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)c1 475564877 YGYAOCXIPFEKSE-LJQANCHMSA-N 432.480 4.043 5 20 IIBD CC1CCN(c2nnc(SCc3ccc([N+](=O)[O-])cc3F)n2Cc2ccco2)CC1 476523003 SNDXROTTXAZLCI-UHFFFAOYSA-N 431.493 4.495 5 20 IIBD O=C(Nc1ccc(OC(F)F)c2cccnc12)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 479269831 UYXSFCMRORBCMD-UHFFFAOYSA-N 425.351 4.182 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1CN1CCOCC1 479437774 LOONSLWJVUQHPB-UHFFFAOYSA-N 443.569 4.105 5 20 IIBD CCc1ccc(CN(C)C(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC)cc1 481361148 XCZVZSRSPDSQGE-UHFFFAOYSA-N 439.541 4.186 5 20 IIBD Cc1cnc(Sc2nnc(-c3cnccn3)n2-c2ccc(Cl)cc2)c([N+](=O)[O-])c1 481814160 JXQWZKYGRJLYFW-UHFFFAOYSA-N 425.861 4.141 5 20 IIBD Cc1nn(CCC(=O)Nc2cnn(-c3ccccc3Cl)c2C(C)C)c(C)c1[N+](=O)[O-] 482728656 FWULLVRPTTWRSG-UHFFFAOYSA-N 430.896 4.399 5 20 IIBD O=C(NCCCOc1ccc(C(F)(F)F)cn1)c1ccc2[nH]c3ccccc3c(=O)c2c1 482769439 GMTRMVNVXBLNLL-UHFFFAOYSA-N 441.409 4.294 5 20 IIBD O=[N+]([O-])c1ccn(C2CCN(Cc3nc(O)c4cc(-c5ccccc5)sc4n3)CC2)n1 488748015 BAMFLSXWKKCZGT-UHFFFAOYSA-N 436.497 4.006 5 20 IIBD Cc1ccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])cc1S(=O)(=O)C1CCCC1 491140642 JGOLHNORLNSKLH-UHFFFAOYSA-N 432.498 4.027 5 20 IIBD Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])CC3 491540903 DXCKEXQXCYCYBK-ZDUSSCGKSA-N 428.286 4.434 5 20 IIBD CC[C@H](NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC)c1cccs1 493472420 KREBENDJOXVAQR-NSHDSACASA-N 449.348 4.165 5 20 IIBD COc1ccc(CSCC(=O)NCc2ccc(CN3CCCCC3)cc2)cc1[N+](=O)[O-] 497509221 UGPUTIYXOBXLNF-UHFFFAOYSA-N 443.569 4.139 5 20 IIBD CC[C@@H](NC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1)c1cccc([N+](=O)[O-])c1 499105122 ZNVVDBDPMNPEKF-GOEBONIOSA-N 439.438 4.387 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C 500435207 IDBUODYKLCVVDF-QZTJIDSGSA-N 443.569 4.068 5 20 IIBD O=[N+]([O-])c1cccc(-c2ccc(CN3CCOC[C@H]3c3noc(-c4ccccc4)n3)o2)c1 501701060 AMRKFVCGBMNZNX-FQEVSTJZSA-N 432.436 4.478 5 20 IIBD CCOc1cc(NC(=O)NCCNc2ccc3ccccc3n2)c([N+](=O)[O-])cc1OCC 502520523 QPYSSNXJHCYYFW-UHFFFAOYSA-N 439.472 4.174 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](Oc3ccccc3Cl)C2)cc1OC 504656011 UCVDEICRIMLLSF-CQSZACIVSA-N 434.876 4.339 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 504760568 UBAZWCMXQWPSQN-UHFFFAOYSA-N 442.475 4.202 5 20 IIBD O=C(CCS(=O)(=O)Cc1nc(C2CCCCC2)cs1)Nc1ccccc1[N+](=O)[O-] 507682454 CSJDOLVNIMZAPC-UHFFFAOYSA-N 437.543 4.043 5 20 IIBD COCC[C@H](C)N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 507842416 BDRYBZAKCDSYHR-UGSOOPFHSA-N 436.306 4.052 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 510420543 QAXMFQNLDPDHHJ-MRXNPFEDSA-N 433.333 4.336 5 20 IIBD COc1cc(C(=O)N2CC[C@@H](CN(C)C)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 510986446 MUEINHAJIMFKER-AWEZNQCLSA-N 433.892 4.073 5 20 IIBD COCCN(Cc1cccs1)C(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 515529306 YKJZQIJPVFFUOP-IAGOWNOFSA-N 431.558 4.427 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)NCc1ccccc1CN1CCCC[C@@H]1C 515755399 HHUKNRPUSDDCSY-ZWKOTPCHSA-N 440.544 4.095 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 515934382 OIYBJEBARQVESW-CQSZACIVSA-N 435.496 4.134 5 20 IIBD Cc1ccc(-n2nc(C(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCCO4)c3c2CCC3)c(C)c1 517357502 KUXWLTKTMOKQIQ-UHFFFAOYSA-N 448.479 4.300 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)CSc1ccc([N+](=O)[O-])cc1 517418365 PYTSFPXUGKVJTG-UHFFFAOYSA-N 428.489 4.307 5 20 IIBD O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N(Cc1ccccc1)Cc1ccc(F)cc1 517564028 SPWVOXFKWWRNCK-UHFFFAOYSA-N 431.427 4.157 5 20 IIBD COc1ccc([C@H]2CCCN2C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 520445237 LLSBLBNVUKNXFV-CZUORRHYSA-N 434.876 4.396 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1cc(F)cc([N+](=O)[O-])c1 520966545 TVHOMCWQSXKTQS-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD O=[N+]([O-])c1cc(CNCC2(N3CCCC3)CCOCC2)ccc1Oc1ccc(F)cc1 521829560 JFASHIVIIDSTAR-UHFFFAOYSA-N 429.492 4.261 5 20 IIBD CC(C)CCSc1ccc(C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)cc1[N+](=O)[O-] 522541857 YUPDGAZOQIPDGE-CQSZACIVSA-N 433.496 4.347 5 20 IIBD O=C(CNC(=O)c1ccc2c(c1)CCC2)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 522672567 SKQMROPUKUSGLQ-UHFFFAOYSA-N 431.448 4.244 5 20 IIBD CCOc1ccc(Br)cc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 524385659 LKAAMBZQHFRBRY-UHFFFAOYSA-N 431.246 4.194 5 20 IIBD CN(C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 532827454 QOBBZOXQJDEAHL-WVFSVQOHSA-N 443.450 4.309 5 20 IIBD CCCOc1cc(NC(=O)N2CC[C@@H](C3CCOCC3)C2)c([N+](=O)[O-])cc1OCCC 533172743 ABSWMBYABCGBIU-QGZVFWFLSA-N 435.521 4.453 5 20 IIBD CCC[C@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C(=O)Nc1cccc(N2CCCC2)c1 534249671 ULLJTTPOPCLLAS-FQEVSTJZSA-N 449.511 4.214 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 537731846 BDHHWQDNBBBELB-UHFFFAOYSA-N 431.920 4.289 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC=C(c2ccc3c(c2)OCCO3)CC1 538866676 ZYAGNBBWYHZDJG-UHFFFAOYSA-N 426.494 4.408 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 539552670 RKFHKRHOKMSONP-XOBRGWDASA-N 449.866 4.333 5 20 IIBD CC(C)n1nnnc1-c1ccccc1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 541418456 TUWHKSPVPRSOJW-UHFFFAOYSA-N 435.469 4.205 5 20 IIBD CC(C)CNC(=O)N1CCC[C@H](CC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 542928479 XAKMHFFIYWUZRI-CYBMUJFWSA-N 430.427 4.020 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(n2ccc(C(F)(F)F)n2)CC1 543127973 DSOKAVGWGXXXNI-UHFFFAOYSA-N 448.854 4.419 5 20 IIBD COc1ccc(Cl)cc1N1C[C@@H](c2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)CC1=O 545146147 WFPWCKCPZIFTDA-AWEZNQCLSA-N 442.859 4.060 5 20 IIBD O=C1CCCN1c1ccc(-c2noc(Cn3c4ccccc4c(=O)c4ccccc43)n2)cc1 546946920 YZFQLQODCFOKKG-UHFFFAOYSA-N 436.471 4.380 5 20 IIBD COc1ccc(CSCc2nc(-c3cncc(Br)c3)no2)cc1[N+](=O)[O-] 547019286 RRYQSGLCDOMRBC-UHFFFAOYSA-N 437.275 4.244 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(-c3nc(-c4cc(OCC(F)F)ccn4)no3)cs2)c1 547257994 ABUSTTVQBZZKHP-UHFFFAOYSA-N 431.380 4.474 5 20 IIBD CC[C@@H](Cc1ccccc1Br)N(C)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 548558010 DMUPDWQWGPADHH-AWEZNQCLSA-N 449.301 4.222 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1 549249034 HXUZVGBXEYYGKO-UHFFFAOYSA-N 431.855 4.339 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(Oc3cccnc3)nc2)cc1[N+](=O)[O-] 551008514 IJFRGDBZAISTTN-UHFFFAOYSA-N 426.454 4.058 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCN(C3CCC3)C[C@H](C)C2)cc1 553855889 HEYODCDIXQKENC-KRWDZBQOSA-N 439.512 4.342 5 20 IIBD CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 554096041 WEIMAXFSEXATDZ-LSDHHAIUSA-N 433.496 4.389 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC(c2c[nH]c3ccc(F)cc23)CC1 554311028 QTLIELZRGZGNBE-UHFFFAOYSA-N 438.459 4.393 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(Cn3ccnc3)cn2)cc1 557714286 GJHUACQUIWRHNH-UHFFFAOYSA-N 445.435 4.288 5 20 IIBD CN1C(=O)CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)[C@H]1c1ccccc1 558369945 AFTXXSRVQDRFRU-QFIPXVFZSA-N 432.436 4.392 5 20 IIBD O=C([C@@H]1CCS(=O)(=O)c2ccccc21)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 560079485 ZNIVLSPQHPGGDK-OAQYLSRUSA-N 436.489 4.089 5 20 IIBD Cc1noc(C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c2ccccc2)n1 560117435 YWZJKSVJMDFBKP-QGZVFWFLSA-N 445.273 4.071 5 20 IIBD C[C@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)C[C@H](c2cccc(C(F)(F)F)c2)O1 561443206 ITNMATINDRTMPY-APPDUMDISA-N 434.374 4.092 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC(c2noc3cc(F)ccc23)CC1 566825105 FIGYXOGTZMASRR-ZDUSSCGKSA-N 442.447 4.090 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccc(Oc2cccnc2)nc1 568373991 XAFSEXCFONOTBN-UHFFFAOYSA-N 441.252 4.285 5 20 IIBD Cc1cc(NC(=O)N2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)ccc1[N+](=O)[O-] 574720641 DGXAIPSVQKKKOG-KRWDZBQOSA-N 425.363 4.407 5 20 IIBD Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1c1ccc(Br)cc1 577425210 IFDHFNBRURUVKA-KRWDZBQOSA-N 428.290 4.494 5 20 IIBD COc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1c1nc(-c2ccc([N+](=O)[O-])cc2C)no1 577898845 RNFDTLOISQYFRL-UWJYYQICSA-N 447.451 4.393 5 20 IIBD O=[N+]([O-])c1cc2c(c(-c3nc(Cc4nc5cc(Cl)ccc5s4)no3)c1)OCCO2 582385832 XUHLRSANOITTRP-UHFFFAOYSA-N 430.829 4.270 5 20 IIBD Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 584798399 QQSXYGRAPDNFPZ-UHFFFAOYSA-N 430.411 4.053 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1C(=O)Nc1cc(C)ccc1OC 589372557 QBGJXFPSNAGBRD-LJQANCHMSA-N 426.473 4.109 5 20 IIBD COC(=O)c1sc2nc(/C=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)[nH]c(=O)c2c1C 603784880 VNQGGJYWQVIXMY-CSKARUKUSA-N 437.433 4.418 5 20 IIBD CS(=O)(=O)c1ccc(Nc2cccc(COCC(F)(F)C(F)F)c2)c([N+](=O)[O-])c1 603868318 RPCCRMAWXMLOQV-UHFFFAOYSA-N 436.383 4.159 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 604102841 ZYKZAFBPBKSHJW-QWRGUYRKSA-N 443.344 4.312 5 20 IIBD Cc1ccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1OCC(F)F 608851079 QUUINDJJSXGJEF-UHFFFAOYSA-N 449.439 4.079 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N=c3nc(C(C)(C)C)[nH]s3)cc2[N+](=O)[O-])n1 609023411 IABPYEOYLQWWMZ-UHFFFAOYSA-N 435.556 4.334 5 20 IIBD COCCNC(=O)c1ccc(Cl)c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 609060962 LFPKBUMKMNUKGI-UHFFFAOYSA-N 433.873 4.091 5 20 IIBD O=C(NCC1(c2cccc(Br)c2)CC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 609646199 JTIJPFMWYDBYEK-UHFFFAOYSA-N 441.285 4.005 5 20 IIBD COc1ccc(C(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)CC2)cc1 610059581 RHRCVDDZPCUASX-UHFFFAOYSA-N 447.285 4.101 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@@H](C[C@@H]2CCOC2)C1 611356005 OVTPQRDTQODDSN-GJZGRUSLSA-N 429.439 4.081 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC[C@@H](C(C)(C)C(=O)O)C3)cc2[N+](=O)[O-])C1 611478429 BBDYUUWSOBAYHC-SOLBZPMBSA-N 431.533 4.040 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CC[C@@]3(C2)C(=O)Nc2ccccc23)cc1[N+](=O)[O-] 614533910 BMALSQUVFOYRJP-QHCPKHFHSA-N 439.537 4.469 5 20 IIBD COCCOc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1Cl 617383323 RARYUCQKSGRJFD-UHFFFAOYSA-N 436.895 4.472 5 20 IIBD CC(C)[C@@H](OC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)C(N)=O 725914440 RVDDEOGHAFVBGE-MRXNPFEDSA-N 431.495 4.022 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cccc(CC[C@H](O)c3ccccc3)c2)cc1[N+](=O)[O-] 727361812 FKFIFORKMRKEPG-QFIPXVFZSA-N 426.494 4.370 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 727395151 HOSOWLRMQMHXBZ-OAQYLSRUSA-N 431.439 4.077 5 20 IIBD CS(=O)(=O)c1ccc(Nc2cccc(CC[C@@H](O)c3ccccc3)c2)c([N+](=O)[O-])c1 727757592 JXTCKANGCYKLRG-JOCHJYFZSA-N 426.494 4.408 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCc1nnc(-c2ccccc2Cl)o1 728837160 IEQPIWFZAHZZET-SNVBAGLBSA-N 438.223 4.462 5 20 IIBD CCCCN(C)c1ccc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1 730507852 KOWYIDGGRGKMAU-UHFFFAOYSA-N 426.473 4.158 5 20 IIBD Cc1cccc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1[N+](=O)[O-] 732309354 GQIRMACXHDJLFZ-LLVKDONJSA-N 447.419 4.489 5 20 IIBD CCOC(=O)C1=C(C)N(CC2CC2)C(=O)N[C@H]1c1csc(-c2cccc([N+](=O)[O-])c2)n1 733122053 SHNBKQHBUGKWBN-SFHVURJKSA-N 442.497 4.032 5 20 IIBD COc1cccc(CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1OC1CCCC1 733234561 YCIDJKBKZPSUGE-UHFFFAOYSA-N 443.456 4.380 5 20 IIBD CC(C)c1c(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1-c1ccccn1 735442850 KEYHDJGDYBRSCZ-UHFFFAOYSA-N 433.424 4.311 5 20 IIBD Cc1ccc(NC(=O)COC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cc1 736003494 MCQRBEHONRGRME-UHFFFAOYSA-N 449.250 4.191 5 20 IIBD CC[C@@H](C)[C@@](C)(O)CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 742200176 ISWIYBLJLKIFPZ-ASSNKEHSSA-N 433.892 4.027 5 20 IIBD CCCc1[nH]nc(C(=O)NCC(C)(C)Sc2ccc(Br)cc2)c1[N+](=O)[O-] 742730630 QCDHBVYXDLSNLT-UHFFFAOYSA-N 441.351 4.334 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2cccc(Cl)c2C(N)=O)cc1[N+](=O)[O-])c1ccccn1 742831999 LRCZSYBAVRXINP-LBPRGKRZSA-N 439.859 4.168 5 20 IIBD CN(C[C@@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OC(C)(C)C 742883075 APGCTGCNUHYNJO-INIZCTEOSA-N 446.529 4.190 5 20 IIBD O=[N+]([O-])c1cccc(/C(O)=C(/C(=S)N[C@H]2CCc3ccccc3C2)[n+]2ccccc2)c1 743056374 ZKFCJLXKVCKLKP-FQEVSTJZSA-O 432.525 4.241 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[C@H]1SCCc2sccc21 744354433 UOBGWGSXVUMXFM-SFHVURJKSA-N 444.538 4.474 5 20 IIBD COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)OCCn2ccc([N+](=O)[O-])n2)cc1 748106453 RHHOWCNAXFPCAY-UHFFFAOYSA-N 434.452 4.124 5 20 IIBD O=C(OCC[C@H]1CCCC1=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 748168721 KVPQFXYOXBIRJQ-CYBMUJFWSA-N 428.407 4.133 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCc2c(Br)cccc2C1 749628090 UXLZUCUZWZDMOF-UHFFFAOYSA-N 430.302 4.156 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)ccc1N1CCSCC1 749869350 WTXYULZADNKJEW-UHFFFAOYSA-N 426.542 4.309 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)OCc2cn3cc(Cl)cc(Cl)c3n2)cc1OC 750107408 MGEJAIFJWKTKLQ-UHFFFAOYSA-N 440.239 4.314 5 20 IIBD O=C(c1cc(-c2ccccc2F)on1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 750582862 JNNZMANHFBVXAX-UHFFFAOYSA-N 446.232 4.350 5 20 IIBD O=C(CC[C@H]1CCOC1)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 751714865 RVRMELCMGOBVOY-XOBRGWDASA-N 432.860 4.288 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)OCc1cc(-c2ccc(F)cc2)no1 756523624 AOYYUBOYIMIYDG-UHFFFAOYSA-N 435.205 4.437 5 20 IIBD Cc1cccc(Cl)c1NC(=O)COC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 757696071 BHHVHVMAWFVMGR-LLVKDONJSA-N 427.240 4.159 5 20 IIBD Cc1ccc(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c(OC[C@H]2CCCO2)c1 757728593 GPKDXQQBNZXCHK-GOSISDBHSA-N 433.892 4.114 5 20 IIBD O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1cccc([N+](=O)[O-])c1Br 759056245 WWCNJMIVDISMOK-SNVBAGLBSA-N 442.672 4.159 5 20 IIBD COc1cc(OC)cc([C@@H](O)CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)c1 764302044 GIAZOXFVKKXMLM-FQEVSTJZSA-N 446.525 4.110 5 20 IIBD CCCN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CCN(C(=O)OC(C)(C)C)CC1 768550791 AVUVEZSIULBMIX-UHFFFAOYSA-N 448.564 4.343 5 20 IIBD CN(C)c1ccc(C2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)CC2)cc1 773424729 WFACNZGJRRRSQT-UHFFFAOYSA-N 446.345 4.372 5 20 IIBD COc1cc(C(=O)OCC2Cc3ccccc3C2)c([N+](=O)[O-])cc1OCc1cscn1 774354017 BMKJIQBEQFKONB-UHFFFAOYSA-N 440.477 4.211 5 20 IIBD CN(C)c1ccc(N(Cc2ccccn2)C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 776384589 DQPCBNBJMAOASW-UHFFFAOYSA-N 449.467 4.130 5 20 IIBD COCc1noc(COC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)n1 777055647 GFITVPMXDMRCEL-UHFFFAOYSA-N 435.845 4.286 5 20 IIBD Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1 778911416 SNIPFWOZHJHAJV-OAQYLSRUSA-N 434.448 4.008 5 20 IIBD O=C(OCc1noc(-c2ccc(F)cc2F)n1)c1ccc(Br)c([N+](=O)[O-])c1 781128733 MPJDRWFCCFAZPG-UHFFFAOYSA-N 440.156 4.043 5 20 IIBD Cc1nnc([C@@H](C)OC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)s1 782544896 DFIWQGQQPGAYQR-CQSZACIVSA-N 449.492 4.454 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1cc([N+](=O)[O-])ccc1OC(F)F 783903849 QHTWFVNRBPUZHD-UHFFFAOYSA-N 433.776 4.489 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)Nc2nc3c(s2)CCN(Cc2ccccc2)C3)c1F 790248436 IJLNMLVDLKDXGA-UHFFFAOYSA-N 426.473 4.309 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)c1F 790259434 CJWFZISRUNSDHX-UHFFFAOYSA-N 428.464 4.109 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2F)c(C)c1[N+](=O)[O-] 790388346 FBUFPXWYNVIXNO-UHFFFAOYSA-N 437.327 4.079 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cccc(-c3nccs3)c2)c(Br)c1 790457014 DBMFUNDUISKTIH-UHFFFAOYSA-N 441.284 4.249 5 20 IIBD COc1ccccc1[C@@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1ccccn1 790910078 AOSCRHWNZKUXHC-OAQYLSRUSA-N 429.835 4.239 5 20 IIBD O=C(C[C@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1ccccc1 791423089 QEIHFSBCDGUMFU-CYBMUJFWSA-N 443.308 4.328 5 20 IIBD COc1c(C(=O)N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)cccc1[N+](=O)[O-] 793462456 VITNUBKHOIBGDZ-UHFFFAOYSA-N 441.484 4.221 5 20 IIBD C[C@@H](OC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 796441606 BDAOHPAESOBBMS-LLVKDONJSA-N 435.820 4.004 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3ccnn3-c3ccccc3)CC2)ccc1[N+](=O)[O-] 796725014 JLEAQOSEFVJNHJ-UHFFFAOYSA-N 436.468 4.005 5 20 IIBD COC(=O)/C=C\c1ccc(OC)c(OC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 797167388 XFMJADQGZFAPEP-WMZJFQQLSA-N 440.433 4.132 5 20 IIBD Cc1cc(C)cc([C@@H](O)CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)c1 801538734 NGVQMTTXWWNJGQ-HNNXBMFYSA-N 427.682 4.091 5 20 IIBD CSc1ccc(C(=O)O[C@@H](C)c2ccc(SCC(=O)N(C)C)cc2)cc1[N+](=O)[O-] 809074018 FYQZBBHDXYEWTC-ZDUSSCGKSA-N 434.539 4.415 5 20 IIBD C[C@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(N2CCCCC2=O)cc1 810129046 RPHOBAKNPLSFQN-LSDHHAIUSA-N 444.919 4.443 5 20 IIBD O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813020324 VXGJDRWNHCSSRT-CQSZACIVSA-N 442.686 4.480 5 20 IIBD COc1c(C(=O)N2CCC[C@@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cccc1[N+](=O)[O-] 814426971 BQAXCDNFNCEMTM-IAGOWNOFSA-N 447.532 4.103 5 20 IIBD CN(C(=O)C(C)(C)C)c1ccc(OS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])cc1 815024375 AFYALABGYZTVDC-UHFFFAOYSA-N 444.868 4.164 5 20 IIBD COc1ccccc1NC(=O)[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C(C)C 815512430 VKXMMDAIFLNIGL-KRWDZBQOSA-N 440.374 4.442 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Oc1ccc(C(C)C)c(C)c1 912585816 KRYBEQVSWLEFPK-FQEVSTJZSA-N 430.526 4.484 5 20 IIBD O=C(NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1SCc1cccs1 916754669 XDQMUSPVRQZPHG-UHFFFAOYSA-N 434.520 4.067 5 20 IIBD O=C(OCC(=O)N(Cc1ccccc1)CC(F)(F)F)c1cc2cc([N+](=O)[O-])ccc2o1 917264876 NUBIFRRDWMVLAB-UHFFFAOYSA-N 436.342 4.089 5 20 IIBD CN(Cc1ccccc1)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 917820533 OCQYVZCMNOVMJH-UHFFFAOYSA-N 446.507 4.320 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)c1cc(Cl)c(Cl)[nH]1)c1cccc([N+](=O)[O-])c1 918636646 YBALIGWNWVOHMQ-ZDUSSCGKSA-N 440.283 4.472 5 20 IIBD C[C@@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc(NC(=O)c2ccccc2)c1 918893550 KQEXPMRATCVSED-CQSZACIVSA-N 434.404 4.494 5 20 IIBD Cc1c(C(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] 919227997 VQENMJCISNVNME-SECBINFHSA-N 442.211 4.302 5 20 IIBD O=C(OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC2CCCC2)cc1 920147546 DZFJZBNLPZFCNY-UHFFFAOYSA-N 432.860 4.156 5 20 IIBD Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 920882750 XWHSGZMSQZKGNL-UHFFFAOYSA-N 426.429 4.045 5 20 IIBD O=[N+]([O-])c1ccc(-c2ncn(CN3CCC(c4nc5cc(Cl)ccc5o4)CC3)n2)cc1 921051000 FYTCLKQKXBTYGP-UHFFFAOYSA-N 438.875 4.485 5 20 IIBD Cc1ccc(CC2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1 1320963311 NVMQTWUPNMLFNX-LJQANCHMSA-N 441.553 4.051 5 20 IIBD CC1(C(=O)NC2(c3ccc(NC(=O)c4cc([N+](=O)[O-])cc5c4OCC5)cc3)CCC2)CCC1 1790044137 AUUPYADMUCXYBE-UHFFFAOYSA-N 449.507 4.468 5 20 IIBD Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(F)cc([N+](=O)[O-])c4)cc3)CCC2)n1 1790696718 NLBQSASKNWPUSX-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)C3CC(F)(F)C3)CCC2)cc1)c1cc(O)cc([N+](=O)[O-])c1 1790755666 OTJNZBILZVERSU-UHFFFAOYSA-N 445.422 4.093 5 20 IIBD CC(C)(Cc1ccccc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C2 1792995077 BWXRFGZRGOXLMQ-KOUNCHBCSA-N 449.551 4.044 5 20 IIBD C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C2)c1ccccc1 1804332581 YCQCURPQTUPIFS-WYGACTBSSA-N 433.508 4.050 5 20 IIBD COc1cc(C(=O)N2CCC3(CCCN(C(=O)CCC4CCC4)C3)CC2)ccc1[N+](=O)[O-] 1805799030 MPPKSPWZIAABHZ-UHFFFAOYSA-N 443.544 4.029 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC2(CCCN(C(=O)C3CCCC3)C2)CC1 1808933201 FWOVQGKIGKGMEW-ZHACJKMWSA-N 425.529 4.029 5 20 IIBD CCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)[nH]n1 1821939301 GTXSVBHKOXSVFH-QGZVFWFLSA-N 431.468 4.199 5 20 IIBD CC1(C)CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)C1 1823681119 BPJLMZKFTNHDDH-QFIPXVFZSA-N 441.572 4.193 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cc([N+](=O)[O-])ccc2F)CC1 1824343400 MWAWHCYWSNVGPD-JTSKRJEESA-N 447.551 4.332 5 20 IIBD C[C@@H]1C[C@@]1(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1830216020 HVGYBZQOHJVOMN-WSUBETFTSA-N 441.572 4.193 5 20 IIBD C[C@@H](C(=O)N1CCCC12CN(C(=O)c1cccc(F)c1[N+](=O)[O-])C2)c1ccc(Cl)cc1 1841198703 CTSKPAZVIYBNKQ-CQSZACIVSA-N 445.878 4.008 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1CSC1=NCCS1 9556177 BFSMUUCXSWFONJ-UHFFFAOYSA-N 446.506 4.154 5 20 IIBD O=C(Nc1ccc(OS(=O)(=O)c2ccc3c(c2)CCC3)cc1)c1cccc([N+](=O)[O-])c1 14100313 TXFDDBQBECCFKJ-UHFFFAOYSA-N 438.461 4.104 5 20 IIBD O=C(Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccc([N+](=O)[O-])cc1 15437002 WSCKZERZEKSSEI-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD O=C(Nc1nc(-c2c[nH]c3ccccc23)cs1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 16050875 OPTDIIBCPAENDH-UHFFFAOYSA-N 449.492 4.289 5 20 IIBD CC[C@@H](C)Cc1c(C)sc2nc(SCc3ccc(C(N)=O)cc3[N+](=O)[O-])[nH]c(=O)c12 16132496 BHAWRSVGMOEAFW-SNVBAGLBSA-N 446.554 4.181 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 17706429 HPOAXWHEXIINLD-HNNXBMFYSA-N 433.424 4.365 5 20 IIBD CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1 19161383 UHHOVKAWZQLIBM-UHFFFAOYSA-N 445.431 4.042 5 20 IIBD C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 21683399 ABYFLQAXVKGDQR-LBPRGKRZSA-N 427.461 4.311 5 20 IIBD O=C(c1ccc(F)cc1Cl)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 22885289 RCGMAHDRVZIKGA-UHFFFAOYSA-N 431.773 4.369 5 20 IIBD CCCNC(=O)COC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 26426641 YLPPOLNMLFTUFP-UHFFFAOYSA-N 431.495 4.039 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(Cc2cncc(Br)c2)CC1 29699025 LFVDPAQQLVAXIH-UHFFFAOYSA-N 445.239 4.093 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1cccc(NC(=O)C2CCC2)c1 30118186 KOXWHEVBEWSQJH-UHFFFAOYSA-N 439.515 4.210 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1csc(Br)c1)c1ccccc1[N+](=O)[O-] 32456144 XOVHWWNAOOTDPK-ZDUSSCGKSA-N 441.303 4.232 5 20 IIBD Cc1cc(C(=O)Nc2cc(NC(=O)CN3CCCC[C@H]3C)ccc2F)ccc1[N+](=O)[O-] 58988138 SERUFRGTZJMUJZ-OAHLLOKOSA-N 428.464 4.108 5 20 IIBD O=C(NC1CC1)c1ccc(NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c([N+](=O)[O-])c1 60103021 SHAOYEGCOVTSDD-UHFFFAOYSA-N 445.401 4.304 5 20 IIBD CCCOc1cc(NC(=O)c2cc(C)nc3c2c(C)nn3C)c([N+](=O)[O-])cc1OCCC 105552640 QWHUIQCRQYFFSP-UHFFFAOYSA-N 441.488 4.323 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)CC1 106228715 ISNSTLMUEALBLN-UHFFFAOYSA-N 444.919 4.439 5 20 IIBD CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 110133099 BEYLBBBSVBCKRR-UHFFFAOYSA-N 431.452 4.140 5 20 IIBD CCCCOc1ccc(CNC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1Cl 426238067 NAXYKTNONYZYST-UHFFFAOYSA-N 435.912 4.170 5 20 IIBD CC(C)(c1nc(Cc2nc(O)c3c(C4CC4)csc3n2)no1)c1ccccc1[N+](=O)[O-] 426444455 VYGPRNJDCQXGEZ-UHFFFAOYSA-N 437.481 4.482 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)ccc1C 427273429 MDNDOICEHIEMCC-GASCZTMLSA-N 425.485 4.282 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN3CCC(O)(C(F)F)CC3)o2)c(Br)c1 428459355 ZAVMNRKOCUCMRB-UHFFFAOYSA-N 431.233 4.209 5 20 IIBD COc1ccccc1-c1noc(C2CCN(C(=O)Nc3ccc([N+](=O)[O-])c(C)c3)CC2)n1 433068832 BAKWQBPBFHXVIG-UHFFFAOYSA-N 437.456 4.373 5 20 IIBD COc1ccc(OCCN(C)C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc1 435818594 NJHJFMMMVOORPZ-UHFFFAOYSA-N 438.430 4.119 5 20 IIBD C[C@@H]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)[C@H]1c1ccc(C(F)(F)F)cc1 438184689 XZAIMMGOBSONFM-BFUOFWGJSA-N 445.401 4.418 5 20 IIBD CC(C)[C@@H](NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 439655543 OUDKDTQPZUNBLH-FZKQIMNGSA-N 437.418 4.245 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2cccc(OC(F)(F)F)c2)cc1OC 440799745 UYRAGFZGDWLMSV-LLVKDONJSA-N 428.363 4.392 5 20 IIBD O=C(N[C@H]1COc2ccc(Cl)cc21)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444244701 XKDGSOYGLFCZAS-SFHVURJKSA-N 426.806 4.476 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(CO)(Cc2ccccc2)CC1 444625628 JMGXEGTZENQULD-UHFFFAOYSA-N 434.945 4.184 5 20 IIBD Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 445748501 DZZDPQDGHOKIJL-MRXNPFEDSA-N 428.920 4.151 5 20 IIBD C[C@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1noc(-c2ccc(Cl)cc2)n1 446750191 FSDSPMDORPEGRL-LBPRGKRZSA-N 427.848 4.127 5 20 IIBD C[C@H]1c2cccc(Br)c2CCN1C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 446904568 MWZXNRLOBZMQRY-NSHDSACASA-N 444.289 4.063 5 20 IIBD CC(C)(C)c1nnc2sc(SCc3ccc([N+](=O)[O-])cc3C(F)(F)F)nn2c1=O 448109015 NEKUIKSZDDVWDW-UHFFFAOYSA-N 445.448 4.063 5 20 IIBD CC(C)OCc1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)no1 461382564 OBKOVWKFYYAHIC-HNNXBMFYSA-N 439.472 4.006 5 20 IIBD O=[N+]([O-])c1cc(CNS(=O)(=O)c2ccc(C(F)(F)F)s2)cc(C(F)(F)F)c1 462062022 WKPOZCLPNRHKRZ-UHFFFAOYSA-N 434.339 4.172 5 20 IIBD COc1ccccc1[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl 462307576 GMHCRYFKRHSCIZ-NRFANRHFSA-N 446.912 4.466 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1c(C)cc(Br)cc1Cl 463375621 MFVSBXAKHASNRA-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD Cc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(OC[C@H]2CCCO2)c1 466651523 OVXAFPMJMLMIAT-MRXNPFEDSA-N 438.402 4.410 5 20 IIBD O=C(C[C@H]1CCCCCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 467531607 GXGUJGOCMBUPJJ-LJQANCHMSA-N 432.480 4.438 5 20 IIBD COc1cc(S(=O)(=O)Nc2nc3c(C(F)(F)F)cccc3s2)ccc1[N+](=O)[O-] 469095179 QXDJSANDXGNQLS-UHFFFAOYSA-N 433.389 4.033 5 20 IIBD CCCOc1cc(NC(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)c([N+](=O)[O-])cc1OCCC 469713721 XBRPFECCXVVECZ-LPHOPBHVSA-N 445.520 4.484 5 20 IIBD CCC[C@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 470126867 VHANSRBFWVLKFQ-FQEVSTJZSA-N 443.479 4.263 5 20 IIBD CCc1ccc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3)c2)cc1[N+](=O)[O-] 471801398 ZYZIBNWYJKWMFQ-UHFFFAOYSA-N 425.466 4.210 5 20 IIBD Cc1ccc(CNC(=O)C2CCN(Cc3cc([N+](=O)[O-])ccc3OC(C)C)CC2)cc1 475739428 OCQJLDLKLVAXOY-UHFFFAOYSA-N 425.529 4.219 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)c1ccc(Br)cc1[N+](=O)[O-] 477978114 QZJRTRBEBVZYPT-NXEZZACHSA-N 446.120 4.467 5 20 IIBD C[C@@H](Sc1nnc(-c2ccccn2)n1-c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 479926959 JIKFTWGCHLFTMF-OAHLLOKOSA-N 446.492 4.357 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@@H](C)C(=O)Nc3ccccc3)cc2[N+](=O)[O-])n1 480048567 CKJUDBPZWJOUMJ-ZDUSSCGKSA-N 442.522 4.268 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2CN2CCC[C@H](C)C2)cc1OC 481631494 VZOMAGRNJZTMOR-KRWDZBQOSA-N 441.528 4.164 5 20 IIBD CN(Cc1ccc(Br)cc1Cl)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 481703531 LBLSOLAZPINVLT-UHFFFAOYSA-N 441.665 4.054 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1SC 481988284 AWRLFHXQZBVMIM-UHFFFAOYSA-N 445.478 4.430 5 20 IIBD Cc1ccc(C)c(N2CCN(C(=O)Cn3c4ccccc4c(=O)c4ccccc43)CC2)c1 484321309 MAOVFDZDSOTDFG-UHFFFAOYSA-N 425.532 4.120 5 20 IIBD C[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCN(Cc2ccccc2)C1 487407176 RQIXZAQRZITCHD-APWZRJJASA-N 436.537 4.359 5 20 IIBD COc1c(F)cc(S(=O)(=O)Nc2ccc3nc(C(C)C)sc3c2)cc1[N+](=O)[O-] 488225573 VTWBNJYUCMTBPQ-UHFFFAOYSA-N 425.463 4.276 5 20 IIBD CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)c1 490192485 GLBQGPHAPWUERR-UHFFFAOYSA-N 442.863 4.128 5 20 IIBD CCc1ccccc1-n1cnnc1SCC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 493241724 ZMFXYRLDFFQTEY-UHFFFAOYSA-N 437.525 4.021 5 20 IIBD Cc1cn(-c2ncccc2F)nc1NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 494110284 BWLSBPPZYKTWQA-UHFFFAOYSA-N 446.442 4.487 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@H]1CCOC1)c1ccc([N+](=O)[O-])c2cccnc12 494534645 ZZCHUHRFIMUIJG-ZDUSSCGKSA-N 427.844 4.464 5 20 IIBD O=C(NCC1(c2ccc(F)cc2)CCCCC1)c1cc([N+](=O)[O-])ccc1SCCO 497644630 BZESMGRRUKASJV-UHFFFAOYSA-N 432.517 4.450 5 20 IIBD CCN(CCOc1ccc(Br)cc1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 498143215 GLPUCETUQBWWHU-UHFFFAOYSA-N 444.285 4.447 5 20 IIBD O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 500291357 XSBOZXYECURCQU-HNNXBMFYSA-N 442.566 4.422 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)NC[C@]1(C)C[C@H]1c1ccccc1 501688084 KYNIOYWRGQQLTG-NOXFTYBFSA-N 443.931 4.313 5 20 IIBD Cc1cnc(O)n1-c1ccc([C@@H](C)NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 501858599 VIVJSZHYUYPHAU-CABCVRRESA-N 426.498 4.153 5 20 IIBD CC(C)N(CCN(C)C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)C(C)C 504144069 NCCQLDVDZAAQGR-GOSISDBHSA-N 427.549 4.354 5 20 IIBD COc1ccc(CN(C)C2CCN(C(C)C)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 506384832 JQELRVPDVPQZIF-UHFFFAOYSA-N 427.545 4.487 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C 509452741 LHOHBDCIAJNQBU-SIVJFFJCSA-N 428.270 4.301 5 20 IIBD CC1CCC(NS(=O)(=O)c2ccc(N[C@H](C)c3ccncc3F)c([N+](=O)[O-])c2)CC1 509457416 XXLQQCKTMKHSSU-SHARSMKWSA-N 436.509 4.159 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)c([N+](=O)[O-])c1 509556086 MKUVSBPALYBUIL-UHFFFAOYSA-N 433.873 4.331 5 20 IIBD COc1cc(C(=O)Nc2ccc3c(c2)CCC3)c([N+](=O)[O-])cc1OCc1cscn1 509896866 VEHMLWBOWJHZFJ-UHFFFAOYSA-N 425.466 4.380 5 20 IIBD COc1cc(C(=O)N(C)Cc2cccc(C)c2)c([N+](=O)[O-])cc1OCc1cscn1 509967531 JMXYECPPSZYHIG-UHFFFAOYSA-N 427.482 4.220 5 20 IIBD O=C(c1ccc(Oc2ccncc2)c(Cl)c1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 510076796 LSYYPUHSWZLZLH-UHFFFAOYSA-N 438.871 4.398 5 20 IIBD Cc1cccc(CN(Cc2ccccn2)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 510260295 LGBRRAAGCPIOBY-UHFFFAOYSA-N 431.901 4.343 5 20 IIBD C[C@H](c1ccc2ccccc2c1)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 511419006 WDNRRJVTZPDVAQ-QGZVFWFLSA-N 439.537 4.035 5 20 IIBD CN(C)C(=O)CC1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 511673256 QTDYBBVQMHSMQB-UHFFFAOYSA-N 445.903 4.371 5 20 IIBD CCc1ccc2c(c1)[C@@H](CCNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)C(=O)N2 511853697 LOQOJMSZBDQDHX-CQSZACIVSA-N 446.301 4.084 5 20 IIBD COc1cc(C(=O)Nc2c(C)cccc2C(=O)N2CCCC2)c([N+](=O)[O-])cc1OC(F)F 512348544 VDWHBOKBBUFOMD-UHFFFAOYSA-N 449.410 4.002 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 513038517 RFEOTRNDMYGKOE-FCGDIQPGSA-N 439.537 4.198 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc(Cl)cn1 513828939 SJFLPKXVUHGYEU-VIFPVBQESA-N 445.644 4.047 5 20 IIBD Cc1cccc(NC(=O)CSCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 514602622 QPUNLWQRXYBXCL-UHFFFAOYSA-N 442.522 4.337 5 20 IIBD COc1ccc(C)cc1NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 515108914 MSDSVEVKWDJFLF-UHFFFAOYSA-N 438.406 4.285 5 20 IIBD Cc1c(C(=O)N2CCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)sc2ccccc12 516898557 WZEFLZOSRXUADS-UHFFFAOYSA-N 443.912 4.370 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])cn2)cc1 517452579 DZZQSOWESVBZNT-UHFFFAOYSA-N 440.843 4.112 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2nc(Sc3ccccc3)ns2)cc([N+](=O)[O-])c1 517641112 JEPDMMJAZZCCGY-UHFFFAOYSA-N 430.467 4.027 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 518924660 VQCOCNLPPXKCIT-VMPITWQZSA-N 448.479 4.008 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)s1 521198086 FNXVZKGMFKVUKI-UHFFFAOYSA-N 437.465 4.318 5 20 IIBD C[C@@H](NC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 521686308 WJMAZBLZZPDLJA-OAHLLOKOSA-N 438.450 4.448 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCc1cc(Cl)c2c(c1)OCCCO2 522577846 DJJWKSKNNYBVPT-UHFFFAOYSA-N 441.267 4.148 5 20 IIBD CN(Cc1cc(Br)ccc1F)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 522816292 FVALQTYEGQXKIG-UHFFFAOYSA-N 436.281 4.369 5 20 IIBD CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1Cl 524143545 AUQSCIAFFJSQLG-INIZCTEOSA-N 426.698 4.043 5 20 IIBD Cc1ccc(NCCCNC(=O)N(C)Cc2ccc(Br)s2)c([N+](=O)[O-])c1 524807597 MDMFIYYHEHDMMQ-UHFFFAOYSA-N 441.351 4.371 5 20 IIBD COc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)cc([N+](=O)[O-])c1OC 525021640 WTLQIEUDFISFSH-UHFFFAOYSA-N 439.399 4.256 5 20 IIBD Cc1c(C(=O)N2CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)CC2)sc2ccccc12 525465745 WMELSFSJJCETMD-UHFFFAOYSA-N 448.504 4.197 5 20 IIBD CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c1 525579239 HXFFNTAGIXABBG-UHFFFAOYSA-N 433.896 4.010 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@@H](C)c3ccc([S@](C)=O)cc3)cc2[N+](=O)[O-])CC1 533750908 AGHDBOFCONMXOZ-DFYVNMARSA-N 429.542 4.060 5 20 IIBD COc1cccc(CNC(=O)[C@H](C)SCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1 534060115 OASATUIPFIZBMH-AWEZNQCLSA-N 427.482 4.197 5 20 IIBD CC(C)(NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1ccccc1Br 536064782 IQUYQANEZGBHLA-UHFFFAOYSA-N 444.285 4.336 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl 536932121 SHXQBJRRQFBEGD-ADLMAVQZSA-N 441.709 4.446 5 20 IIBD Cc1nn(CCC(=O)NCCSCc2ccc(Cl)cc2Cl)c(C)c1[N+](=O)[O-] 537139337 FVBDVBURDHTUIM-UHFFFAOYSA-N 431.345 4.155 5 20 IIBD COC(=O)c1ccc(C(=O)N(CC(C)C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)o1 537150443 VZOXKWFTNWMUPK-UHFFFAOYSA-N 429.454 4.401 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3C[C@H](O)CN3Cc3ccccc3)o2)c(Cl)c1 537321247 PJMVIRNTJYFBIB-MOPGFXCFSA-N 441.915 4.233 5 20 IIBD CC(C)[C@@H]1C[C@@H](NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CCO1 537931656 CAIUAYBODDYKFV-ZBEGNZNMSA-N 427.288 4.021 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN3CCS[C@@H]4COCC[C@@H]43)o2)c(Br)c1 538810432 NTYGEVDAABIDPI-FUHWJXTLSA-N 439.331 4.324 5 20 IIBD CN(C)Cc1ccc(C(N)=O)cc1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 539933062 ADLOTFRKVYIHAL-UHFFFAOYSA-N 428.876 4.281 5 20 IIBD CCOC(=O)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1C)c1cccc(Br)c1 541335351 LIVFKZPNRRVBDZ-INIZCTEOSA-N 435.274 4.090 5 20 IIBD COc1cc(C(=O)N2CCC[C@@H]2c2ccc(Br)s2)cc([N+](=O)[O-])c1OC 544165378 KDZLISFUDIEPID-LLVKDONJSA-N 441.303 4.413 5 20 IIBD CN(C(=O)CN[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 544409855 JYBOZHZGYWPVCO-JOCHJYFZSA-N 447.470 4.078 5 20 IIBD Cn1ccc([C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2)n1 545142187 HGERUXCGYPAQDL-OAQYLSRUSA-N 427.892 4.080 5 20 IIBD COc1cc(Cc2noc(Cc3ccc(OCc4ccccn4)cc3)n2)ccc1[N+](=O)[O-] 545760769 DQVVQDMOHQFMRS-UHFFFAOYSA-N 432.436 4.142 5 20 IIBD O=[N+]([O-])c1cc2c(cc1Cc1nc(Cc3c[nH]c4ccc(Cl)cc34)no1)OCCO2 547163089 VVISSYHQADECAS-UHFFFAOYSA-N 426.816 4.065 5 20 IIBD Cc1cc(Cc2noc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)n2)ccc1[N+](=O)[O-] 547263834 QOXYAERALMDIPG-MRXNPFEDSA-N 430.873 4.186 5 20 IIBD CCOC(=O)c1cc(COC)cc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 553802444 AYEJOQVZPYBUNT-UHFFFAOYSA-N 441.465 4.294 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCc1cccc(Oc2cccc3ccccc23)c1 556477644 UHAGHKWHXLFMFX-UHFFFAOYSA-N 429.432 4.018 5 20 IIBD Cc1cc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)ccc1-c1ccncc1 557473606 PPKSJLWMEBXNEE-UHFFFAOYSA-N 446.492 4.497 5 20 IIBD COC(=O)c1cc(F)c(Br)cc1NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 558226449 GKCOLTHVWXKIMG-SECBINFHSA-N 425.210 4.025 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1ccc(F)cc1)c1cccs1 559708653 OKMMAQQTPSCANE-LJQANCHMSA-N 443.456 4.038 5 20 IIBD NC(=O)c1cccc(NCc2ccc(OCCOc3ccc(Cl)cc3)cc2)c1[N+](=O)[O-] 561181509 AHMKKKBHRXCRTL-UHFFFAOYSA-N 441.871 4.417 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCOC[C@H](C3CCC3)C2)cc1 561745795 INMSYDUEHQBEKW-QGZVFWFLSA-N 426.469 4.284 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1-c1nc(Cc2cc(Br)c3c(c2)OCCO3)no1 566625812 JCBRLRSMGLCBLX-UHFFFAOYSA-N 432.230 4.078 5 20 IIBD CC(C)(C(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1)c1ccccc1[N+](=O)[O-] 568055996 QZQAPJGZIIPBBL-MRXNPFEDSA-N 438.459 4.468 5 20 IIBD Cc1ccsc1C(=O)Nc1ccc(OC[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 571597205 FXGBNCHGQNPUIA-INIZCTEOSA-N 428.466 4.036 5 20 IIBD C[C@H](CN[C@H](c1ccc([N+](=O)[O-])cc1)c1nccn1C)Oc1ccccc1Br 572980780 OEEXFUDFRNOJSE-AUUYWEPGSA-N 445.317 4.237 5 20 IIBD CCOc1cc(NC(=O)N2CCCN3c4ccccc4C[C@H]3C2)c([N+](=O)[O-])cc1OCC 581137673 AJOWEJDCOBRILP-KRWDZBQOSA-N 440.500 4.061 5 20 IIBD CN1CCC2(CC1)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccccc1O2 582015538 BKAKWFLZKLQOPA-GOSISDBHSA-N 449.429 4.332 5 20 IIBD CCSc1cccc(Br)c1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 589807313 LKXBORZYWJIVLF-UHFFFAOYSA-N 425.260 4.450 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1)N(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 590041988 LDYONDFVXYLJFT-HSZRJFAPSA-N 448.498 4.436 5 20 IIBD O=C(N[C@@H]1CC[C@](O)(C(F)(F)F)C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 590433817 SYCZDMUVBZKPKR-KZULUSFZSA-N 426.416 4.322 5 20 IIBD COC(=O)c1cc(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc([N+](=O)[O-])c1 603572862 JLNMOGZTLWGJAU-GHMZBOCLSA-N 442.312 4.021 5 20 IIBD Cc1ccc(-n2nc(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)c3c2CCC3)cc1 603638894 ZNKJDVCOUGHZJZ-UHFFFAOYSA-N 428.395 4.431 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NC[C@H]2CCN(c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 604473034 INSFHADAJKQLEI-OAHLLOKOSA-N 439.903 4.151 5 20 IIBD CC(=O)N(C)c1ccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 604478855 FJNQZEWGMHYJLH-UHFFFAOYSA-N 427.404 4.327 5 20 IIBD Cc1ccccc1OCCCN(C)c1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl 608830856 UKBYWSYYSHNHIY-UHFFFAOYSA-N 428.876 4.008 5 20 IIBD COc1cc(C(=O)N2c3ccccc3CC[C@@H]2C(=O)Nc2ccc(F)cc2)ccc1[N+](=O)[O-] 608872811 QTGIZYCAJRBYPN-OAQYLSRUSA-N 449.438 4.343 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 608960094 XSCOCEIBTSFXFA-UHFFFAOYSA-N 443.843 4.180 5 20 IIBD COc1ccc(C(C)(C)CNC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])cc1OC 609263804 ODJVFVISGMJFJW-UHFFFAOYSA-N 434.514 4.050 5 20 IIBD CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)c1 609483002 NBMXWDDGNRAHQY-UHFFFAOYSA-N 445.541 4.213 5 20 IIBD CCOc1cc(NC(=O)NCCc2c[nH]c3ccc(OC)cc23)c([N+](=O)[O-])cc1OCC 609600745 UVJFCZRFGLMFKP-UHFFFAOYSA-N 442.472 4.246 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 609789202 IHQCIVKHXTVGOF-DNVCBOLYSA-N 443.525 4.022 5 20 IIBD COc1ccc(CN(C)C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)cn1 610976212 YNURGZNBXQSCCV-UHFFFAOYSA-N 430.511 4.187 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c1 612133404 ZBPFFYBLSDNGQQ-JRGCBEDISA-N 425.554 4.347 5 20 IIBD CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C[C@H]1N1CCCC1 614279138 JZWDDEACASDBFG-UYAOXDASSA-N 435.615 4.281 5 20 IIBD CN(CCOC(=O)CCc1nnc(-c2cc3ccccc3o2)o1)c1ccc([N+](=O)[O-])cc1 726329345 RTSDHGFBQCOIKG-UHFFFAOYSA-N 436.424 4.003 5 20 IIBD Cc1nc([N+](=O)[O-])c(Br)n1CC(=O)N[C@H](c1ccc(C(C)C)cc1)C(C)C 726431568 BHJPJFHOWLVSTM-KRWDZBQOSA-N 437.338 4.499 5 20 IIBD CCN1C(=S)N[C@@H](c2csc(C3CC3)n2)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)=C1C 731423143 ZXRZFYWPXITUTN-KRWDZBQOSA-N 443.554 4.093 5 20 IIBD CC(C)[C@@H](OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCOc2ccccc21 736865420 AMNOUAWZLVRVTM-IEBWSBKVSA-N 432.860 4.070 5 20 IIBD Cc1oc(-c2ccccc2F)nc1C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 738671845 RDYBEHRRHMKIEH-UHFFFAOYSA-N 433.779 4.146 5 20 IIBD CC(C)(C(=O)OCc1nc(N)c2c3c(sc2n1)CCCC3)c1ccc([N+](=O)[O-])cc1 740390724 WOROLXBJGPZRHZ-UHFFFAOYSA-N 426.498 4.082 5 20 IIBD COc1ccc(C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3Br)C2)cc1 743824387 HURHDQQTRXZSFI-HNNXBMFYSA-N 433.302 4.461 5 20 IIBD CC1CCN(C(=S)SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 743845381 MFHMYOBBQQOTJQ-UHFFFAOYSA-N 436.584 4.407 5 20 IIBD COc1ccc(-c2ccc(CNC(=O)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1 743951488 DNEYUOPFNBPTSW-UHFFFAOYSA-N 439.855 4.179 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc(OC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)c1 744247787 WTRBZKXYNREJGW-UHFFFAOYSA-N 425.397 4.415 5 20 IIBD CS(=O)(=O)c1cccc([C@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)c1 744376318 YKIDJDWEGAIANE-HXUWFJFHSA-N 444.896 4.171 5 20 IIBD CO[C@@]1(C)C[C@@H](NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1(C)C 744722522 AGZCFJSBZZMWPJ-GCJKJVERSA-N 445.903 4.434 5 20 IIBD O=C1c2ccccc2C(=O)N1CCCC(=O)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 745344731 IGBXSIZWOZFFDM-UHFFFAOYSA-N 441.871 4.068 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n(-c2ccc([N+](=O)[O-])cc2)n1 746805837 HJFPFBMZODWJNV-UHFFFAOYSA-N 435.318 4.268 5 20 IIBD C[C@@H](Sc1ccc(Br)cc1[N+](=O)[O-])C(=O)Nc1ccc2nc(O)[nH]c2c1 749131312 CKSNNBCGDYOESN-MRVPVSSYSA-N 437.275 4.059 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 751472625 VGXCVAXKYZBJQT-MSOLQXFVSA-N 430.505 4.490 5 20 IIBD O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1cc([N+](=O)[O-])c(Br)cc1F 751693249 XECDJDSXPAHKNZ-UHFFFAOYSA-N 433.573 4.415 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 752101582 NRYAUOKZBZLUJN-CXAGYDPISA-N 437.290 4.459 5 20 IIBD O=C(CCS(=O)(=O)C1CCCC1)OCc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1 752216382 JNAHLGRUUVTQAH-UHFFFAOYSA-N 433.482 4.178 5 20 IIBD COc1ccc([C@@H]2CCCN2S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c(OC)c1 752231560 JMGHTXIXMARWAV-INIZCTEOSA-N 440.905 4.100 5 20 IIBD CC(=O)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 753427640 BFUFNWYHUAQZCS-GFCCVEGCSA-N 449.257 4.052 5 20 IIBD Cc1c(Br)cc(C(=O)OCc2nc([C@H](C)OCC(C)C)no2)cc1[N+](=O)[O-] 753429660 CCISUBHQJXAPDP-NSHDSACASA-N 442.266 4.139 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 758803365 TULIMINOQDMLDG-PKOBYXMFSA-N 448.564 4.252 5 20 IIBD C[C@@H](Nc1ccc(C(=O)O[C@@H]2CCOC3(CCOCC3)C2)cc1[N+](=O)[O-])c1ccccn1 765682895 HPRYAOCAOLXVMI-SJLPKXTDSA-N 441.484 4.048 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCCCc1cnc2ccsc2c1 767012667 ROOSZGSGVXSTKZ-UHFFFAOYSA-N 441.465 4.069 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)c2sc(Br)cc2[N+](=O)[O-])c(C)c1 773598920 PMJKDJCFSPEUCF-JTQLQIEISA-N 427.276 4.220 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 775169792 JNXUATSBKDYZAX-QYDWLILUSA-N 435.249 4.110 5 20 IIBD CC(=O)Nc1sc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)nc1-c1ccccc1 775283672 BMVVBMXTLOVQPF-UHFFFAOYSA-N 441.425 4.146 5 20 IIBD O=C(CCc1cnn(-c2ccccc2)c1)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776132557 FUNTUGCOZZIRII-XMMPIXPASA-N 428.448 4.441 5 20 IIBD CC(C)(C)OC(=O)N1CCC(C(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])CC1 776135929 SYDCGKJEIJTECM-FQEVSTJZSA-N 441.484 4.270 5 20 IIBD CSc1cccc(C(=O)O[C@H](C(=O)N[C@@H]2CCOc3ccccc32)C(C)C)c1[N+](=O)[O-] 777074192 QNMMZFUHPZFAPD-UZLBHIALSA-N 444.509 4.138 5 20 IIBD CN(Cc1nccn1Cc1ccccc1)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 777768248 XOXNEXIEHLXTHG-UHFFFAOYSA-N 435.362 4.403 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(NC(=O)c2cccs2)cc1 777951720 SJJOXQHNJXQHFF-UHFFFAOYSA-N 436.442 4.124 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCN(c2ncnc3sccc23)C1 778093168 OGZXWNNAMOZQAT-LBPRGKRZSA-N 432.889 4.213 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 778798470 UHQZPZHVIBOILL-QGZVFWFLSA-N 440.437 4.062 5 20 IIBD C[C@H](C[C@H](O)c1cccs1)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 780959738 KTIFLBDYRGQCCX-ZMZPIMSZSA-N 428.460 4.263 5 20 IIBD Cn1ccnc1Sc1ccc(F)cc1NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781637422 VWACDEMHEUUHCK-UHFFFAOYSA-N 445.432 4.098 5 20 IIBD COC(=O)[C@@](C)(COC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 783143886 ZSZJJLDJFXCFMK-NRFANRHFSA-N 426.450 4.006 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 784776025 SESZFVGXYNKCTJ-UHFFFAOYSA-N 444.241 4.096 5 20 IIBD O=C1CC[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)c2ccccc21 786083281 JVBUIDUFGZKIRE-KRWDZBQOSA-N 447.413 4.023 5 20 IIBD COc1ncccc1COC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 787982179 GCUMEMSLFUZKFJ-UHFFFAOYSA-N 441.827 4.261 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c1=S 789488895 UFIQXDXJRNYTAZ-PBHICJAKSA-N 442.372 4.482 5 20 IIBD Cc1ccc(-n2ncc(NC(=O)[C@@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)c2C(C)C)cc1 791189991 GUFGEYZXBHAHOE-NRFANRHFSA-N 433.468 4.344 5 20 IIBD CSc1ccccc1CN(C)C(=O)c1ccc(I)c([N+](=O)[O-])c1 791899756 LUVHBCWOXXMDGA-UHFFFAOYSA-N 442.278 4.194 5 20 IIBD CO[C@@](C)(CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 794397956 IAZQDAIHKJZFAG-NRFANRHFSA-N 431.876 4.045 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 795616497 NSSWMAJFHXECOH-UHFFFAOYSA-N 425.894 4.048 5 20 IIBD C[C@@H](OC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(C(F)(F)F)nc1 803067660 ZMBRVYYMQJRBIY-LLVKDONJSA-N 439.346 4.001 5 20 IIBD O=C(OCc1c(F)cc([N+](=O)[O-])cc1F)c1ccc(=O)n(Cc2ccccc2Cl)c1 803267153 GGIYJTNBVGKUFQ-UHFFFAOYSA-N 434.782 4.093 5 20 IIBD NC(=O)c1ccc(COC(=O)c2ccc(-c3cccc4cccnc34)cc2)c([N+](=O)[O-])c1 803897291 PUKCDZQALQBCFL-UHFFFAOYSA-N 427.416 4.266 5 20 IIBD O=C(OCc1ccccc1)[C@H](CNc1nc(O)c2cc([N+](=O)[O-])ccc2n1)c1ccccc1 804646691 MLBWVDUCCLATPC-HXUWFJFHSA-N 444.447 4.183 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(OS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)c1 809824907 WYLGUZRDFCOKFF-UHFFFAOYSA-N 427.605 4.231 5 20 IIBD CC[C@H](NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(Cl)s1 810363399 QAFDGNNBNAULET-JTQLQIEISA-N 446.710 4.278 5 20 IIBD C[C@H](Nc1ccc(-c2nc(CCC(C)(C)[N+](=O)[O-])no2)cc1[N+](=O)[O-])c1ccccn1 812815870 CVHLTOJGRXJFLY-ZDUSSCGKSA-N 426.433 4.201 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C(=O)Nc1cccc(C(F)(F)F)c1 814481829 AMWGXOZLXXHXDF-JTQLQIEISA-N 443.353 4.003 5 20 IIBD CS(=O)(=O)c1cc(C(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)ccc1Cl 815179008 PLXOYLSMTCJWSO-UHFFFAOYSA-N 437.779 4.028 5 20 IIBD CC(C)c1ccc(CNc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)cc1[N+](=O)[O-] 863990872 JKCRBSWIWVOJIH-CALCHBBNSA-N 447.557 4.128 5 20 IIBD CC(C)[C@H](OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)CCC2 877866235 FQCROFANTAQNBZ-QFIPXVFZSA-N 448.479 4.089 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)COc1ccc(Oc2ccccn2)cc1 900667083 LPNFODHNKIOCOK-UHFFFAOYSA-N 427.844 4.473 5 20 IIBD CCCCN(C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)[C@@H](C)c1ccc(C)o1 914519538 OYMAFVITFKUHBE-HOTGVXAUSA-N 431.464 4.378 5 20 IIBD C[C@H](OC(=O)COc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1Cc1ccccc1 914911061 OXQSLXXQULGFPO-KRWDZBQOSA-N 434.448 4.135 5 20 IIBD Cc1nc(-c2ccc([C@H](C)NC(=O)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc2)cs1 915777391 OKXCOUXGOXDQJS-NSHDSACASA-N 444.900 4.496 5 20 IIBD CN(C(=O)c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 916993601 MCKBSFVIQISAQW-UHFFFAOYSA-N 438.889 4.031 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@H](C)c1cc(F)ccc1F 917963408 WLMCYGDVNDLHBG-XIKOKIGWSA-N 438.452 4.029 5 20 IIBD Cc1c(NC(=O)c2ccccc2)cccc1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 918400531 ROYKZEXLVBUSPL-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 918685736 PTEWHLLFGFOPKK-RYUDHWBXSA-N 439.356 4.398 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)O[C@H](C(=O)NCc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 919226954 MMELGRNNWNSRKG-NRFANRHFSA-N 449.419 4.026 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1OC1CCCC1 919448732 WSGJFMHIDNRZQX-AWEZNQCLSA-N 428.441 4.109 5 20 IIBD COc1ccc(S[C@@H](C)C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 919513686 WQQJLFLHHJGUSD-NEPJUHHUSA-N 438.889 4.308 5 20 IIBD C[C@@H](OC(=O)c1cccnc1SC(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 920697989 JAWKPWBNNAUHFP-MRVPVSSYSA-N 449.794 4.439 5 20 IIBD O=c1c(Cl)c(NCCc2coc(-c3ccccc3)n2)cnn1-c1ccc([N+](=O)[O-])cc1 1251796993 ZZMDXUGWWWHIAW-UHFFFAOYSA-N 437.843 4.104 5 20 IIBD C[C@H]1CCc2nc(NC(=O)c3ccc(I)c([N+](=O)[O-])c3)sc2C1 1318337346 ZWMYVCJQCXAIAW-QMMMGPOBSA-N 443.266 4.033 5 20 IIBD Cc1cccc(CN2CCCC[C@H]2C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 1323241911 YFIOMIPMYAYLHF-DEOSSOPVSA-N 437.540 4.328 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2)n1 1337929415 OOKWYGWEXSZCDN-UHFFFAOYSA-N 430.486 4.005 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)NC1(c2ccc(NC(=O)c3[nH]ccc3C)cc2)CCC1 1787103338 XFBBMJMIPREELK-UHFFFAOYSA-N 448.479 4.307 5 20 IIBD CCCCC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(N(C)C)ccc1[N+](=O)[O-])C2 1801713594 CDPVDBATNKULGD-IZBJGVDFSA-N 444.576 4.129 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])[nH]n1)[C@H]1CC=CCC1 1820829102 XHIZFYNCCNCFJU-KBXCAEBGSA-N 441.463 4.119 5 20 IIBD Cc1cc(F)ccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 1832723104 IRLGZUOGYGXEQQ-LJQANCHMSA-N 443.475 4.182 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)N1CCN(C(=O)C2CC2)CC1 15787986 SJNJDUCMAMYZBZ-UHFFFAOYSA-N 445.928 4.094 5 20 IIBD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)n1CC(F)(F)F 16405891 JREFTSLHZDIUDI-LLVKDONJSA-N 447.797 4.413 5 20 IIBD COc1ccc(-c2nc(C)c(C(=O)OCC(=O)Nc3c(C)cccc3[N+](=O)[O-])s2)cc1 19618759 NFUSZDHDCGZHPS-UHFFFAOYSA-N 441.465 4.139 5 20 IIBD O=C(c1ccc(F)cc1)N1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 29528591 JLDOVDSYLOWMPW-UHFFFAOYSA-N 431.773 4.369 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCN(c3ccccc3)CC2)cc1 32641875 HLDAWJWIUVPXQM-UHFFFAOYSA-N 433.464 4.358 5 20 IIBD CC(C)(C)c1nc2cc(NC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)ccc2o1 33215727 KKEMLUUSXIWXRI-UHFFFAOYSA-N 438.440 4.360 5 20 IIBD C[C@H]1CN(Cc2ccccc2NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 58424928 VPAHHSFFUBSHNS-HDICACEKSA-N 426.517 4.035 5 20 IIBD O=C1[C@H](c2ccccc2)N(Cc2ccccc2)C(=O)N1CCOc1cccc([N+](=O)[O-])c1 59017065 WRIIXPCVPQTZGK-QFIPXVFZSA-N 431.448 4.179 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc([C@H](C)Nc2ccc3ncccc3c2[N+](=O)[O-])cc1 59373536 KVCMKSYNGREUPM-HNNXBMFYSA-N 428.514 4.347 5 20 IIBD O=C(NCCc1ccc(OC(F)(F)F)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 71929587 YPLZHRDMLQETOD-UHFFFAOYSA-N 437.418 4.069 5 20 IIBD O=C1[C@H](Sc2nn(-c3ccccc3)c(=S)s2)CCN1c1cccc([N+](=O)[O-])c1 78768086 YKOPGJXLAGPOAQ-OAHLLOKOSA-N 430.536 4.469 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 110487188 WSZYPFNZHAPJMI-YJYMSZOUSA-N 443.912 4.334 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(CNc3nc4ccc([N+](=O)[O-])cc4s3)cc2)C[C@@H](C)O1 111190630 JBAFRLISECTNBN-ZIAGYGMSSA-N 426.498 4.066 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCc1cc(Br)cs1 301251525 PUSFMQGEWLUTOG-UHFFFAOYSA-N 427.248 4.027 5 20 IIBD CCc1nc(CN2CCC(CNc3c(Br)cncc3[N+](=O)[O-])CC2)cs1 301904423 YBPLHHGNYLOQKP-UHFFFAOYSA-N 440.367 4.095 5 20 IIBD C[C@H](c1ccccc1)N1CCC(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 303706066 PBAOJXZBKMRWJB-LJQANCHMSA-N 436.556 4.153 5 20 IIBD CS(=O)(=O)c1cc(C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1 409937476 LXHKBFQZJOFUAH-FQEVSTJZSA-N 444.896 4.171 5 20 IIBD CS(=O)(=O)c1cc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc([N+](=O)[O-])c1 410136974 LSSPMMPUVKDVGU-UHFFFAOYSA-N 437.433 4.059 5 20 IIBD Cc1cccn2cc(COc3ccc(CN4CCC(n5ccc([N+](=O)[O-])n5)CC4)cc3)nc12 425984543 IZJCMHXLUUIUNB-UHFFFAOYSA-N 446.511 4.164 5 20 IIBD CCNc1ccc(C(=O)N(CCOC)Cc2cc(Br)cs2)cc1[N+](=O)[O-] 427726455 LZOIJHRHZMWQKO-UHFFFAOYSA-N 442.335 4.139 5 20 IIBD CC(C)(C)OC1CC(CCNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 432333744 CZAHBCVCTDHNSU-UHFFFAOYSA-N 425.334 4.164 5 20 IIBD COc1ccc(CNc2nnc(-c3ccccn3)s2)cc1OCc1ccc([N+](=O)[O-])cc1 432741669 NGLFPKRLMFJVBI-UHFFFAOYSA-N 449.492 4.708 5 20 IIBD COc1cc(CN2CCC(c3ncc(C)s3)CC2)c([N+](=O)[O-])cc1OCC(F)F 433034400 SEQUSTZEMXMYFN-UHFFFAOYSA-N 427.473 4.392 5 20 IIBD O=C(Nc1nnc(-c2ccccn2)s1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436144043 ZSOFTSDMXXZCPZ-UHFFFAOYSA-N 435.415 4.125 5 20 IIBD COc1c(C)cnc(CN(C)C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1C 436237886 JBQPJZRJTVPWMK-UHFFFAOYSA-N 437.446 4.252 5 20 IIBD CO[C@@H](C)c1nc(CN2CCCN(Cc3cc([N+](=O)[O-])ccc3OC(C)C)CC2)cs1 437524237 FFKGTTFQNYDXCW-KRWDZBQOSA-N 448.589 4.254 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1F)C(C)C 439820523 JKJYRANVZGRSOC-GOSISDBHSA-N 437.855 4.238 5 20 IIBD C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 441085591 BVTMMSTZTKTVAL-NEPJUHHUSA-N 428.436 4.277 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F 445993169 DGAZIVCZRJWNAV-DOTOQJQBSA-N 437.418 4.487 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ccc(Oc2cccc(F)c2F)nc1 447262090 CKXMJLMNKXTGDK-UHFFFAOYSA-N 435.408 4.045 5 20 IIBD CC(C)N(Cc1ccccc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCOC1 461529733 BGBVBPZRFFMTGU-QGZVFWFLSA-N 439.491 4.444 5 20 IIBD Cc1c(S(=O)(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)cnn1-c1ccc(Cl)cc1 462360508 PXTLJIHEQYETKI-UHFFFAOYSA-N 443.872 4.091 5 20 IIBD C[C@H](NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)c1ccc(Cl)c2ccccc12 462718749 OFMIJFQGWFMOIU-ZDUSSCGKSA-N 439.855 4.004 5 20 IIBD COc1ccc2c(c1)CCC[C@@H]2CNC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 463938410 RTQQXORCDHDZMB-QGZVFWFLSA-N 430.526 4.082 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1CCOC2(CCOCC2)C1 466432940 BUXCFTAWTOQZIY-UHFFFAOYSA-N 448.928 4.421 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1nc(-c2cccc(F)c2)no1 466447479 ZVBUNVGIFJJGDK-AWEZNQCLSA-N 427.436 4.465 5 20 IIBD Cc1ncc(CNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])c(O)n1 468299144 FIFYTKKWMUSSRT-UHFFFAOYSA-N 430.873 4.133 5 20 IIBD CN(C)C(=O)CCCC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 469541398 BXHDMIZGUMKBPU-UHFFFAOYSA-N 437.855 4.054 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1nc(C(=O)OC)c(C)s1 471326329 HLVFORGCCCWCDM-WBVHZDCISA-N 431.514 4.079 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCCOc2ccc(Cl)cn2)cc1[N+](=O)[O-])c1ccccn1 472200648 ZEQQFUPRWXNUAV-CQSZACIVSA-N 441.875 4.020 5 20 IIBD CCOC(=O)C[C@H](C)NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 473076443 XCQNIIUOSMHKCW-LBPRGKRZSA-N 436.848 4.121 5 20 IIBD CO[C@@H](C)c1nc(CN2CCCN(C(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)CC2)cs1 475642909 VZMHOORFWUQSPC-INIZCTEOSA-N 447.561 4.115 5 20 IIBD COc1ccc(CN(CCc2ccccn2)C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1 478133558 AMUFHROGGXYKDK-UHFFFAOYSA-N 444.491 4.225 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NC[C@@H](C)C(F)(F)F)cc1[N+](=O)[O-] 479389853 VWMAWYLWCFPRKN-LLVKDONJSA-N 426.416 4.476 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)c1[N+](=O)[O-] 480213947 MXNHZMUCSMLQKH-UHFFFAOYSA-N 431.514 4.029 5 20 IIBD CCn1c(SCC(=O)N[C@H](C)c2ccccc2Cl)nnc1-c1ccc([N+](=O)[O-])cc1 481346443 NCPHTMRZIWUSRV-CYBMUJFWSA-N 445.932 4.496 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)c1C 481592575 BFJGLFUWWVQLOL-UHFFFAOYSA-N 442.375 4.081 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cnn(-c3ccc(Cl)cc3)c2CC)cc([N+](=O)[O-])c1 482736078 UVCILLJJMYQLOE-UHFFFAOYSA-N 442.859 4.425 5 20 IIBD COCCN(Cc1sccc1Br)C(=O)Nc1ccc([N+](=O)[O-])cc1C 484772876 XYOVLBQAVJMERV-UHFFFAOYSA-N 428.308 4.408 5 20 IIBD O=C(NCc1cccnc1OCC(F)F)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 486428475 KPNAARYILIFGGN-UHFFFAOYSA-N 443.406 4.143 5 20 IIBD CSc1cccc(C(=O)NC2CCN(c3nc4ccccc4s3)CC2)c1[N+](=O)[O-] 486483741 CNBNQFFTCSGROC-UHFFFAOYSA-N 428.539 4.325 5 20 IIBD C[C@@H](Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1nc(C(F)(F)F)cs1 486511800 WVWLRQKYTFPKNN-MRVPVSSYSA-N 445.810 4.443 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](CN2CCCC[C@H]2C)C1 486745169 WWXNNGRATGEGGF-MSOLQXFVSA-N 435.590 4.060 5 20 IIBD CCN(C(=O)c1cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1Cl)C(C)C 487668619 UIPSQEHQVWKQBG-UHFFFAOYSA-N 447.875 4.142 5 20 IIBD COc1ccccc1Cc1nnc(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)o1 488776406 ARRODTKUFXFHIH-CYBMUJFWSA-N 428.470 4.005 5 20 IIBD CCc1c(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)cnn1-c1ccc(Cl)cc1 489738791 CXYHXKHOTDAATQ-UHFFFAOYSA-N 442.859 4.344 5 20 IIBD Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)C2)cc1 489983097 MSOBLRCFZBECFQ-AAIMPIBUSA-N 435.524 4.221 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@@H](c4nc5c(s4)CCCC5)C3)n2)c1 490021066 UFCIPDGKBCMSQO-OAHLLOKOSA-N 425.514 4.360 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 491829449 CCFMPTHLIICCOM-UHFFFAOYSA-N 432.420 4.135 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)cc1OC 494880172 RMTUJYZACSOBSY-UHFFFAOYSA-N 433.219 4.327 5 20 IIBD C[C@H](O)CCN(C)[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 494912099 WCZXZBLGFJPWDS-MGPUTAFESA-N 440.525 4.101 5 20 IIBD NC(=O)c1ccc(SCC(=O)Nc2ccc(OCC3CCCCC3)cc2)c([N+](=O)[O-])c1 498419813 DMZWLVNESLFXCJ-UHFFFAOYSA-N 443.525 4.384 5 20 IIBD Cc1nn(Cc2noc(Cc3ccc(Br)cc3)n2)c2ccc([N+](=O)[O-])cc12 502870409 GXNKJNHQUAECHG-UHFFFAOYSA-N 428.246 4.038 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccn(-c2ccc(F)cc2)n1 503389733 KOAWXDMARKGMNE-UHFFFAOYSA-N 428.489 4.394 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)c([N+](=O)[O-])c1 509596010 MDWSGZOLOISLEF-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD COc1ccc(Cl)cc1N1CC[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 509718316 GUVDIXJBJXWQDT-SFHVURJKSA-N 446.935 4.456 5 20 IIBD Cn1cc(CN2CCC(C(=O)c3cc(F)ccc3F)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 510522501 IMJXYEDVQPSSOG-UHFFFAOYSA-N 440.450 4.368 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(Cc1cccc(Br)c1)C(C)C 512042740 YUEIBVKADNJELV-UHFFFAOYSA-N 427.320 4.265 5 20 IIBD CC(C)CCn1c(Sc2c([N+](=O)[O-])ncn2C)nc2sc3c(c2c1=O)CCCC3 514484653 HHGYSQBMIILFGR-UHFFFAOYSA-N 433.559 4.176 5 20 IIBD CC(C)(CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(Br)cc1 515428013 MTHNOVMTHFWEOX-UHFFFAOYSA-N 443.301 4.251 5 20 IIBD O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 518288859 RPRNWVWYIQMZPD-SFHVURJKSA-N 432.267 4.460 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(CO[C@@H]2CCC[C@@H](C)C2)c1 519876607 XJPMRIDHIGWOGI-DNVCBOLYSA-N 434.514 4.500 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 520003226 BNHNXSSJEUHWLT-KRWDZBQOSA-N 447.495 4.356 5 20 IIBD Cc1ccc(-c2csc(NC(=O)c3cc(F)ccc3N3CCOCC3)n2)cc1[N+](=O)[O-] 521921178 RKOFPTJYGGMNRU-UHFFFAOYSA-N 442.472 4.255 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1cc(Br)ccc1OC(F)F 522912475 UDDFNMQDUZZKOM-UHFFFAOYSA-N 444.232 4.300 5 20 IIBD COc1ccccc1Oc1ccc(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)cc1F 523257926 PYERSGIAOVTWBE-UHFFFAOYSA-N 428.420 4.377 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N(Cc1cccc(F)c1)C[C@H]1CCCO1 523305492 ZXXCDSMWTGORAY-HXUWFJFHSA-N 427.476 4.156 5 20 IIBD O=C(Cc1noc(-c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n1)Nc1ccccc1 524638933 HBGYMISVZOPVNC-UHFFFAOYSA-N 429.436 4.438 5 20 IIBD O=C(Nc1ccc(-c2nc(=O)o[nH]2)cc1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 527205669 QIESRGHDVODDLT-UHFFFAOYSA-N 440.481 4.473 5 20 IIBD CN(c1ccccc1)c1ccc(CNc2cccc(C(=O)N3CCOCC3)c2)cc1[N+](=O)[O-] 532731873 SWMHOUKPYSQVAY-UHFFFAOYSA-N 446.507 4.447 5 20 IIBD Cc1nc2ccccc2n1CC(=O)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 533214583 DMNJPOROKSBLOI-UHFFFAOYSA-N 442.435 4.337 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(C[S@](=O)Cc3ncc(-c4ccc(F)cc4)o3)co2)cc1 534061545 RIPCMLFEGHSWRD-PMERELPUSA-N 427.413 4.493 5 20 IIBD COC(=O)c1cc(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc([N+](=O)[O-])c1 535440370 GETBATJPTVXNGC-UHFFFAOYSA-N 445.884 4.131 5 20 IIBD O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 536508897 XMWMGBXVYMJHOM-UHFFFAOYSA-N 432.402 4.053 5 20 IIBD Cn1ccnc1[C@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1cccc(F)c1 536859854 WWWOLWREGIWAGF-HXUWFJFHSA-N 431.427 4.049 5 20 IIBD CO[C@H](c1ccccc1F)[C@H](C)NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 538336140 SZZKCNJQQLXVSA-NYHFZMIOSA-N 440.475 4.102 5 20 IIBD O=C(NCCSCC(F)(F)F)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 538801631 ZPBLURVTMZUXOK-UHFFFAOYSA-N 443.234 4.113 5 20 IIBD CCCc1cnc(NC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])s1 540635709 CXOXNJGVQNTHAK-UHFFFAOYSA-N 434.499 4.300 5 20 IIBD Cc1cc(C(=O)NCC(=O)Nc2ccc(N[C@H](C)c3ccccc3)cc2)ccc1[N+](=O)[O-] 541127290 RBKWEFLGRMMVCC-QGZVFWFLSA-N 432.480 4.445 5 20 IIBD Cc1c(Cl)cccc1NC(=O)CCNc1ncc([N+](=O)[O-])c(C)c1Br 541578762 LTTRAXILSZCBRH-UHFFFAOYSA-N 427.686 4.463 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1 541867717 IGUASKUQBYROMS-LAUBAEHRSA-N 443.569 4.116 5 20 IIBD C[C@@H](C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1)c1ccc([N+](=O)[O-])cc1F 542568946 LPTJNEQNXZGLEH-CYBMUJFWSA-N 426.404 4.391 5 20 IIBD COc1ccc(NC(=O)C(=O)NCC2(c3ccc(C(C)(C)C)cc3)CCC2)cc1[N+](=O)[O-] 542996346 CTQHPJIUPYOABV-UHFFFAOYSA-N 439.512 4.078 5 20 IIBD COc1cc(CCNC(=O)N2CCCCC[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OC 549931042 IZVBIIHAASNFCN-LJQANCHMSA-N 427.501 4.481 5 20 IIBD COc1cc(C(C)=O)cc([N+](=O)[O-])c1OC[C@H](O)COc1ccc(C(C)(C)C)cc1C 550207530 IWQTWKKMFRCUOQ-GOSISDBHSA-N 431.485 4.231 5 20 IIBD COCC[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(Cl)c(Cl)c1 551449265 ULBWOPFHNHPJAO-INIZCTEOSA-N 440.283 4.043 5 20 IIBD CCOc1cc(NC(=O)N[C@@H](C)c2nccn2-c2ccccc2)c([N+](=O)[O-])cc1OCC 554363089 GKWAPGZNQCHFSV-HNNXBMFYSA-N 439.472 4.461 5 20 IIBD C[C@@H](Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-])c1c(F)cncc1F 557733165 OPQGHBGYFVRHIL-CYBMUJFWSA-N 440.472 4.006 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C(C)C)[C@@H]2c2ccc(F)c(F)c2)c1 558869174 ZLMSLHXKONDRCC-TZIWHRDSSA-N 433.455 4.226 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CNc2ccc3ccn(C)c(=O)c3c2)cc1OC 559946556 CAPWSACFFPUBLH-OAHLLOKOSA-N 425.485 4.492 5 20 IIBD Cn1ccnc1[C@H](N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1cccc([N+](=O)[O-])c1 560544486 LEFLXVUWSONMBB-FOIQADDNSA-N 429.883 4.079 5 20 IIBD Cc1c(CNC(=O)C(=O)NCc2sc3ccc(Cl)cc3c2C)cccc1[N+](=O)[O-] 569523251 FMWKELAAKOTKLV-UHFFFAOYSA-N 431.901 4.012 5 20 IIBD Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nc3cc([N+](=O)[O-])ccc3c(=O)n2C)c(Cl)c1 577331539 BKWAVLUNODNRRV-GFCCVEGCSA-N 446.916 4.231 5 20 IIBD Cc1cc(N(C)C)ccc1-c1noc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 584806275 PHGFYWKJQLOLIT-FQEVSTJZSA-N 435.484 4.305 5 20 IIBD C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)c(Br)c1 590193849 VFRLJRCKNJBTOU-SECBINFHSA-N 430.661 4.439 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)c3cccnc23)cc1OC 602241608 UYJCJRXOSMOZAZ-UHFFFAOYSA-N 431.832 4.083 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2nc3ccccc3n2C)cc1 603616806 JTEDJUFEDRBMMK-UHFFFAOYSA-N 432.436 4.212 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@@H]3COc4ccccc4C3)cc2[N+](=O)[O-])n1 603891569 WEVRUQGOLBTXSF-HNNXBMFYSA-N 427.507 4.244 5 20 IIBD O=C(Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2s1 603991706 XLJZIYKLHCDZAM-UHFFFAOYSA-N 445.884 4.188 5 20 IIBD Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)c2)cc1 604108672 VZRBJQSCWBUXLY-MRXNPFEDSA-N 439.493 4.195 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N(Cc2ccccc2F)CC(C)C)ccc1[N+](=O)[O-] 608804035 KQXBHIPYUPXSPF-JOCHJYFZSA-N 441.503 4.332 5 20 IIBD COc1cc(CNc2cnn(Cc3ccccn3)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 608982721 OYHBWGJNAUHGTI-UHFFFAOYSA-N 445.479 4.434 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NC[C@H](O)CC(C)(C)C)c([N+](=O)[O-])c2)c(C)c1 609765589 DCMUJGRQVUDODK-MRXNPFEDSA-N 435.546 4.221 5 20 IIBD CC(=O)N(c1nc(Cn2cc([N+](=O)[O-])cc(Cl)c2=O)cs1)c1cccc(C)c1C 609905276 DKZVMVXOXOWZMS-UHFFFAOYSA-N 432.889 4.216 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC[C@H](N4CCCC4)CC3)cc2[N+](=O)[O-])C1 609977535 RHSCKBBBRYRUIX-SBHAEUEKSA-N 428.577 4.168 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 610597953 LKDCIGVTUFAWNB-VXGBXAGGSA-N 425.329 4.008 5 20 IIBD CCN(CC)C(=O)COc1ccc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1Cl 617698380 AWWUJISFVRRDCV-CQSZACIVSA-N 433.892 4.238 5 20 IIBD CCS(=O)(=O)c1ccccc1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 618635746 ZIXDGUXEDBXAHF-UHFFFAOYSA-N 440.477 4.220 5 20 IIBD Cc1nc([N+](=O)[O-])c(Br)n1CC(=O)N[C@H](c1ccccc1)C1CCCCC1 726430835 AKGHYQSRCAGNLE-QGZVFWFLSA-N 435.322 4.300 5 20 IIBD COc1cc(COC(=O)Cc2csc(C(C)(C)C)n2)c([N+](=O)[O-])cc1OC(F)F 726834330 GMXJHZIQWOKEQL-UHFFFAOYSA-N 430.429 4.245 5 20 IIBD CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2ccc(OCC(C)C)cc2)NC(=S)N1 730202521 RPZYDBFYYNMOSB-FQEVSTJZSA-N 440.525 4.061 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)CCc1nc2cc(Cl)ccc2s1 730607962 MQGZXNNXCRHNTC-UHFFFAOYSA-N 433.873 4.281 5 20 IIBD O=Cc1ccc(OCC(=O)Nc2nc3c(s2)C[C@@H](c2ccccc2)CC3)c([N+](=O)[O-])c1 731618346 NIZYIZFWFRWNKO-INIZCTEOSA-N 437.477 4.154 5 20 IIBD NC(=O)c1ccccc1OCCOC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 733069747 ASZYEJCGRLJZQO-UHFFFAOYSA-N 438.461 4.081 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1cccc(NC(=O)c2cccs2)c1 734156853 VIVQOHHTOOTTQH-UHFFFAOYSA-N 432.479 4.239 5 20 IIBD Cc1nn(Cc2ccc(C(=O)OCc3cc([N+](=O)[O-])ccc3Cl)cc2)c(C)c1[N+](=O)[O-] 734780007 PUGVQGDHUAAGCM-UHFFFAOYSA-N 444.831 4.375 5 20 IIBD COc1ccc(CN[C@H]2CCCc3nc(C)ncc32)cc1OCc1ccc([N+](=O)[O-])cc1 734851941 MSQCYCFQBVSXFP-NRFANRHFSA-N 434.496 4.448 5 20 IIBD COc1ccc(-n2ccnc2SCC(=O)OCc2ccc(Cl)cc2[N+](=O)[O-])cc1 734890782 XYHVTWZYZQORGO-UHFFFAOYSA-N 433.873 4.278 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2cccc(Cl)c2Cl)c(Br)c1 738404581 ZSJSQBJFCQEKGD-UHFFFAOYSA-N 427.059 4.432 5 20 IIBD CN1C(=O)CC[C@@H](COC(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc(Cl)c1 740597562 MFLYIVFWCIIBIH-BTYIYWSLSA-N 448.928 4.493 5 20 IIBD COc1ccc(Oc2ccc(S(=O)(=O)Oc3ccc(OC)cc3[N+](=O)[O-])cc2)cc1 741255430 KUNNTGJBTXCPGY-UHFFFAOYSA-N 431.422 4.172 5 20 IIBD CCOc1cc(N2CCC(OC(=O)CCc3ccc(OC)c(F)c3)CC2)ccc1[N+](=O)[O-] 744204935 USLADZINAUJFAY-UHFFFAOYSA-N 446.475 4.286 5 20 IIBD Cc1cc(C(=O)[C@H](C)OC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c(C)n1Cc1ccco1 744614502 BGUFLKLESXXZPA-KRWDZBQOSA-N 449.463 4.424 5 20 IIBD CC(C)CC(=O)Nc1ccccc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 744642228 AVZVAKSBOZBVBW-CYBMUJFWSA-N 447.875 4.417 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cccc3c4c([nH]c23)CCCC4)c([N+](=O)[O-])c1 744661010 HYVSIHRMRYLAPC-CYBMUJFWSA-N 437.452 4.148 5 20 IIBD O=C(OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 745348416 CDKQLBVUBOMACG-SJORKVTESA-N 435.263 4.138 5 20 IIBD COc1ccc2cc(CN(C)C(=O)[C@H](C)OC(=O)c3cc(C)ccc3[N+](=O)[O-])ccc2c1 745392065 TVVJGWZXRIZOQJ-INIZCTEOSA-N 436.464 4.269 5 20 IIBD C[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1cccc2ncccc12 745567555 CFOACEFKNGVYAH-LLVKDONJSA-N 433.342 4.346 5 20 IIBD Cc1noc(C(F)F)c1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 746080996 GXLUDPWLWQGHOB-ZETCQYMHSA-N 437.277 4.032 5 20 IIBD Cc1c(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748605578 BZVNJMBTSXGTRF-UHFFFAOYSA-N 442.409 4.224 5 20 IIBD Cn1c(SC[C@@H](O)c2cccc([N+](=O)[O-])c2)nc2sc(-c3ccccc3)cc2c1=O 749637844 AVDXPNPNPIJGNE-QGZVFWFLSA-N 439.518 4.396 5 20 IIBD O=C(COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)N[C@@H](c1ccccc1)c1cccs1 756769222 SWLIWEBDIMJOBJ-NRFANRHFSA-N 435.461 4.200 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl 759773325 OSRIPQRYZUVZKQ-MRXNPFEDSA-N 433.940 4.493 5 20 IIBD C[C@H](c1noc(-c2cc([N+](=O)[O-])ccc2I)n1)c1cccs1 762191072 BUAQYGJHXPDFDM-QMMMGPOBSA-N 427.223 4.463 5 20 IIBD COc1cc(Cc2noc(-c3sc(NC(=O)OC(C)(C)C)nc3C)n2)ccc1[N+](=O)[O-] 762307661 GQHIZEPDVSOMMP-UHFFFAOYSA-N 447.473 4.356 5 20 IIBD CN(Cc1cccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c1)C(=O)C(F)(F)F 762444833 QLGZXDMIPGSBLL-UHFFFAOYSA-N 441.381 4.171 5 20 IIBD O=C(Nc1cccc(CC[C@@H](O)c2ccccc2)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 762988272 FHLAOLJOQMDZFD-OAQYLSRUSA-N 434.448 4.285 5 20 IIBD C[C@@H](C(=O)OCc1nc(Cc2cccc(Br)c2)no1)c1cccc([N+](=O)[O-])c1 763423509 JYOCIVWAOXBFMX-GFCCVEGCSA-N 446.257 4.178 5 20 IIBD Cc1ccc(NCCCNC(=O)N2CCC(O)(c3ccccc3Cl)CC2)c([N+](=O)[O-])c1 765514906 ZHWRPNKPKPKERP-UHFFFAOYSA-N 446.935 4.052 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(N2CCC(Nc3cc(OC)cc(OC)c3)CC2)cc1Cl 765517797 DKQVTHHAQPUKHV-UHFFFAOYSA-N 449.891 4.133 5 20 IIBD C[C@@H](NC(=O)c1ccccc1NC(=O)COc1c(F)cccc1[N+](=O)[O-])c1ccccc1 766416546 ZYKIFVDMBKLPFM-OAHLLOKOSA-N 437.427 4.242 5 20 IIBD C[C@@H](OC(=O)CSc1cccc(Br)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 767025174 VTMRDVTWNCBCMY-LLVKDONJSA-N 439.287 4.020 5 20 IIBD CCOC(=O)N[C@H]1CCCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 767880274 GUNAAHFUOHLDRQ-INIZCTEOSA-N 429.498 4.097 5 20 IIBD O=C(NC[C@@H](O)c1ccc(-c2ccccc2)cc1)c1cc([N+](=O)[O-])ccc1OC(F)F 768551582 HQFCAEKXJSOSMW-LJQANCHMSA-N 428.391 4.327 5 20 IIBD CC(C)Cn1ncc(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1C1CC1 768655363 FKULKEXNQOWHLS-ZDUSSCGKSA-N 425.445 4.293 5 20 IIBD COc1cccc(C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1[N+](=O)[O-] 769600799 OYKBZXCXOFFIBA-UHFFFAOYSA-N 433.631 4.359 5 20 IIBD Cc1cc(=O)c(-c2nc(-c3cccc(C(F)F)c3)no2)nn1-c1ccccc1[N+](=O)[O-] 771524221 CCMJQQWOKQZDIP-UHFFFAOYSA-N 425.351 4.104 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 771762860 CJVDCEAWCGJHEO-JXMROGBWSA-N 427.526 4.213 5 20 IIBD O=C(OCCn1ccnc1)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 771871021 ZIMOXHKHCMENIF-UHFFFAOYSA-N 426.479 4.409 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 771984058 BLKICDVYOTXTMI-AEFFLSMTSA-N 434.537 4.005 5 20 IIBD CCN(CCOc1ccc(Br)cc1)C(=O)c1cc(F)c([N+](=O)[O-])cc1F 772717541 MSQCNAZSMAWJHB-UHFFFAOYSA-N 429.217 4.177 5 20 IIBD COc1ccc([C@H](OC)[C@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1 772884332 PZADRPQDCXKIGB-DYZYQPBXSA-N 441.253 4.011 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(N(C)CCO)cc2)cc1 777433660 SSZXKPJQYWFHEJ-UHFFFAOYSA-N 437.452 4.077 5 20 IIBD COc1c(F)cc(S(=O)(=O)Nc2ccc(Oc3ccc(C)cn3)cc2)cc1[N+](=O)[O-] 777630849 XCHJWJZVYRPHIO-UHFFFAOYSA-N 433.417 4.039 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)O[C@H]([C@@H]3CCOC3)C(F)(F)F)cc2[N+](=O)[O-])C1 778030368 GMABKMSEPTVZBS-ZFHGCVPZSA-N 430.423 4.201 5 20 IIBD CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)O[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)c1 778792507 MCAJQVWXLDZCQC-QGZVFWFLSA-N 429.448 4.154 5 20 IIBD CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 779342551 VBCQLOFSHJKVNY-UHFFFAOYSA-N 427.791 4.240 5 20 IIBD O=C(N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 782738381 GKLZEUWXDXBQBP-INIZCTEOSA-N 430.329 4.306 5 20 IIBD CC(C)(C)OC(=O)N1CCc2cc(Nc3sc(S(C)(=O)=O)cc3[N+](=O)[O-])ccc21 782947897 NQBPWGLUMVZYIC-UHFFFAOYSA-N 439.515 4.101 5 20 IIBD CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)OCc1ccc([N+](=O)[O-])c(F)c1 783538335 KSBZHSGSGPPWEB-CYBMUJFWSA-N 441.502 4.142 5 20 IIBD COc1ccc(OCCOC(=O)c2cc(-c3ccncc3)nc3ccccc23)c([N+](=O)[O-])c1 785418567 WZZPJKQMYJDVTK-UHFFFAOYSA-N 445.431 4.449 5 20 IIBD O=C(N[C@H]1CCOc2c(F)cccc21)c1cc(Br)cc([N+](=O)[O-])c1Cl 785818760 LOTMSOJIOIPPAK-LBPRGKRZSA-N 429.629 4.403 5 20 IIBD O=C(CCC(=O)c1ccc(F)cc1F)O[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 787028997 ZVCNCTYGQSISLW-OAHLLOKOSA-N 436.386 4.187 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@H]1C[C@H](O)c1cccs1 787340565 HDLVMGHJXZPSCS-HOCLYGCPSA-N 443.447 4.473 5 20 IIBD C[C@H](N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1ccc(N)c([N+](=O)[O-])c1 788615085 UXFABWHUMALZDX-NYHFZMIOSA-N 425.510 4.021 5 20 IIBD Cc1cnc(COC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)c(C)c1[N+](=O)[O-] 789437951 RZRPYDPUUZHDER-UHFFFAOYSA-N 431.533 4.295 5 20 IIBD COCCC1(CNC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCCC1 790779586 PUCPLTUYEDKVBI-UHFFFAOYSA-N 440.338 4.022 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CCC(O)CC1 795648166 NAFUYSPXJAKUAE-KJXMEXGPSA-N 432.860 4.022 5 20 IIBD O=[N+]([O-])c1ccccc1OS(=O)(=O)c1cc(C(F)(F)F)ccc1Br 798423249 YKUJUBMKPGRBDK-UHFFFAOYSA-N 426.166 4.144 5 20 IIBD O=C(CNc1ccc(OCC(F)(F)F)c(Cl)c1)N1CCc2cc([N+](=O)[O-])ccc21 799969615 LDTUOFUDPDRHLG-UHFFFAOYSA-N 429.782 4.191 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC(c2ccc(OC)cc2)=NO1 801389862 SZCHHLXYTJEUHT-QGZVFWFLSA-N 429.498 4.029 5 20 IIBD CCC[C@H]1CCc2c(sc(=O)n2CNNc2cc([N+](=O)[O-])ccc2Br)C1 802742703 UVHGZOHJHRPRHK-NSHDSACASA-N 441.351 4.060 5 20 IIBD O=C1CCCc2c(cccc2OC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])N1 803087357 QKBMWJAKQJSRPM-UHFFFAOYSA-N 437.374 4.296 5 20 IIBD O=C(Nc1cccc(OC2CCCC2)c1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810392018 LPDYEUPYNKDQQE-UHFFFAOYSA-N 448.273 4.256 5 20 IIBD Cc1cc(Cl)c(C(=O)OCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1[N+](=O)[O-] 815405302 QYTXWKJZKXWYOW-UHFFFAOYSA-N 446.843 4.394 5 20 IIBD Nc1ccc(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1[N+](=O)[O-] 819916134 HRUNMRXCDNAING-LJQANCHMSA-N 438.871 4.330 5 20 IIBD O=C(COC(=O)CCOc1ccc2ccccc2c1)Nc1cc([N+](=O)[O-])ccc1Cl 914912823 NSZVZVVFEBUFLW-UHFFFAOYSA-N 428.828 4.352 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 915249567 JMPNVBRRDQIGLF-HZPDHXFCSA-N 442.468 4.342 5 20 IIBD O=C(Nc1ccccc1OC1CCCC1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 916490304 AZPFPZPBNFFGIY-AWEZNQCLSA-N 427.432 4.047 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)[C@H](Sc1ccccc1)c1ccccc1 917444500 YDJWUBNHZOCDNV-HXUWFJFHSA-N 442.518 4.242 5 20 IIBD CN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CCN(C(=O)OC(C)(C)C)CC1 918121280 KYSGEWXYXSSEOT-UHFFFAOYSA-N 449.551 4.013 5 20 IIBD CCOc1cccc(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)c1 918633512 OIULXCFJJCHUFH-LJQANCHMSA-N 426.469 4.235 5 20 IIBD COc1cccc([C@H](C)C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)c1 919850159 RFMKDDMNHYMNQJ-PXNSSMCTSA-N 440.496 4.335 5 20 IIBD COc1ccc(-c2cc(COC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])on2)cc1 920777619 LMCUJGLIXOOHFN-GFCCVEGCSA-N 432.816 4.423 5 20 IIBD Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 1319356593 GCQZUWDBPWQYSQ-UHFFFAOYSA-N 428.832 4.062 5 20 IIBD Cn1cc([C@@H](NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c2ccccc2)cn1 1320884065 WHLWUEMPLLJJHK-DEOSSOPVSA-N 442.475 4.427 5 20 IIBD Cc1cc(CCC(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CCC2)ccn1 1785748612 WVKVIADSZCBOMR-UHFFFAOYSA-N 448.479 4.272 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCC2(CCCN(C(=O)CCC3CCCC3)C2)CC1 1808942579 CLWIZBBUGJYBBR-JXMROGBWSA-N 443.544 4.403 5 20 IIBD Cc1cc(F)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)c1 1823614993 JOEBHGMXOWTVQL-IBGZPJMESA-N 443.475 4.182 5 20 IIBD CC/C=C(\C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1c(F)ccc([N+](=O)[O-])c1C)CC2 1827454216 DTNYFKFKKBNSHV-KKNAONHISA-N 446.504 4.081 5 20 IIBD CC/C=C(\C)C(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])sc2C1 1828257311 ITRPXBFGBCZHEL-ZRHCSQIJSA-N 440.525 4.033 5 20 IIBD COc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCC(C)C)CC2)ccc1[N+](=O)[O-] 1831384699 IXGDUTUGNLTZCB-FQEVSTJZSA-N 445.560 4.273 5 20 IIBD Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2c(F)ccc([N+](=O)[O-])c2C)cc1Cl 1847360842 IYBAPMMQFCGYES-OALUTQOASA-N 445.878 4.133 5 20 IIBD O=C(COC(=O)CCNc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1C(F)(F)F 11311101 GZYWITNCDQJWRL-UHFFFAOYSA-N 445.781 4.251 5 20 IIBD CCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OCC 11341566 YIQFPONKQJWZMQ-LBPRGKRZSA-N 436.848 4.230 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)OCc3cc(=O)n4ccccc4n3)cc2[N+](=O)[O-])cc1 14758945 AVABIWJDVVJTQZ-UHFFFAOYSA-N 447.472 4.419 5 20 IIBD CCOc1cc(C(=O)N(C)Cc2ccc(Br)s2)c([N+](=O)[O-])cc1OC 18108052 NOBPSZQQNWYWBB-UHFFFAOYSA-N 429.292 4.098 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nnc1-c1ccccc1OC 20162972 HMVLFOMSANCKMV-LBPRGKRZSA-N 445.476 4.140 5 20 IIBD O=C(CN1CCCN(Cc2ccc(Cl)cc2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl 23008841 IQEHMLHUMXMVIZ-UHFFFAOYSA-N 437.327 4.048 5 20 IIBD CCC(C)(C)NC(=O)[C@H](C)OC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 23968947 OBNFIZOAVQEKGO-LBPRGKRZSA-N 437.543 4.361 5 20 IIBD CC(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)s1 25817602 SMLAORBBCCIYGT-NSHDSACASA-N 445.478 4.166 5 20 IIBD COc1ccc(CN(C(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)C2CC2)cc1 27075707 VKYPXYRKKZGRHC-UHFFFAOYSA-N 429.523 4.496 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(Oc3cc(C)ccc3C)CC2)cc1OC 60018741 HEKBWWMVNPGCGM-UHFFFAOYSA-N 428.485 4.303 5 20 IIBD COc1ccccc1Oc1ccc(N[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 61021033 UGVCXFSQEVKDDC-IBGZPJMESA-N 433.420 4.140 5 20 IIBD O=C1c2ccccc2N[C@@H](c2cc3c(cc2[N+](=O)[O-])OCCO3)N1CCc1ccccc1 63494539 XCBWOOSYOAWUFY-HSZRJFAPSA-N 431.448 4.175 5 20 IIBD CC(C)CCSc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cn2)cc1[N+](=O)[O-] 71961923 NPTBUKWOBMULLE-UHFFFAOYSA-N 443.573 4.132 5 20 IIBD Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)C2)cc1 97570400 QVOHXCDXEBOJND-HNNXBMFYSA-N 430.892 4.231 5 20 IIBD CSc1nnc(CCCNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n1C1CCCC1 104960150 MCMWVMDGBMEFDS-CQSZACIVSA-N 449.602 4.253 5 20 IIBD Cc1nn(C)c(C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)c1[N+](=O)[O-] 195595699 YGHONJUBGMQQOD-UHFFFAOYSA-N 426.285 4.243 5 20 IIBD NS(=O)(=O)c1cccc(Oc2cc(Cl)c(Br)cc2Cl)c1[N+](=O)[O-] 302802678 UWAAUYGTKLMCBY-UHFFFAOYSA-N 442.074 4.104 5 20 IIBD C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1cccc(C(F)(F)F)c1 303415895 BFIZELGVCJUBBC-FZMZJTMJSA-N 441.431 4.157 5 20 IIBD C[C@H](NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])C(=O)N1CCCC1 410174103 PACYKFYLLGTDFK-ZDUSSCGKSA-N 433.917 4.140 5 20 IIBD O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 426297044 WGEUOPQGGZGJAP-SFHVURJKSA-N 428.558 4.243 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N(CCO)Cc3cccc(F)c3)cc2[N+](=O)[O-])n1 427538490 XQTOZGQIAAOGBE-UHFFFAOYSA-N 447.513 4.285 5 20 IIBD C[C@@H](CC(=O)O)NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 427713866 JHMNOYHFHGOSGE-WZMONFQBSA-N 425.466 4.115 5 20 IIBD CO[C@H](C)c1nc(CN2CCCN(c3ccnc4c([N+](=O)[O-])cccc34)CC2)cs1 432334015 DUSXNMQCDGQRQR-OAHLLOKOSA-N 427.530 4.019 5 20 IIBD C[C@H](CCO)CNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 434402627 HMOMIJWSDFAVSZ-YHZJOHHESA-N 425.510 4.270 5 20 IIBD CCCN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 436115335 OFBAPEPYPYIDHJ-GOSISDBHSA-N 428.488 4.374 5 20 IIBD COc1ccccc1CCNC(=O)CN[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 436284490 BDEVTTRMGVACFK-MRXNPFEDSA-N 439.537 4.341 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2csnc2-c2ccccc2)cc1[N+](=O)[O-] 436726587 WESGEVAWHXFGIK-UHFFFAOYSA-N 438.494 4.250 5 20 IIBD O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc([N+](=O)[O-])cc1O 436861935 MGPWIFRGKLTARK-UHFFFAOYSA-N 447.856 4.007 5 20 IIBD Cc1nnnn1-c1cccc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])c1 440748449 OLGQXDFMLVLYOC-UHFFFAOYSA-N 432.465 4.282 5 20 IIBD CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)CCOc1ccccc1[N+](=O)[O-] 444345724 QOJYWIGYZYSJRF-UHFFFAOYSA-N 443.500 4.016 5 20 IIBD COCCOc1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1Cl 445170658 CVWFCOJMGAFZFX-UHFFFAOYSA-N 435.683 4.350 5 20 IIBD O=C(CSc1ccc(Br)cc1[N+](=O)[O-])Nc1ccc(Br)cn1 447350307 ITWBEMOQVLQHLE-UHFFFAOYSA-N 447.108 4.246 5 20 IIBD C[C@H]1N(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CCc2ccccc2)CCC12CCOCC2 460427383 MNFSJJMGNSNSAD-LJQANCHMSA-N 447.539 4.491 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(CC2CCCC2)n1C[C@H]1CCOC1 461390974 RYGLFEWUOPRJSP-HXUWFJFHSA-N 427.549 4.371 5 20 IIBD CCN1CC[C@H](N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2Cc2cccs2)[C@@H](C)C1 461483303 DNPASKFIESIVJR-JXFKEZNVSA-N 440.573 4.130 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC=C(c4ccccc4)C3)n2C[C@H]2CCOC2)c1 461533079 HQCRZXZLTRNCRD-GOSISDBHSA-N 431.496 4.184 5 20 IIBD Cc1ccsc1-c1nnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1C[C@@H]1CCOC1 461582422 JFEPLMMHVNXLPY-KRWDZBQOSA-N 439.541 4.429 5 20 IIBD C[C@H]1CCO[C@H]1c1nnc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1C[C@H]1CCCCO1 461852019 OHEIGAUBAOCRKC-LDQXTDLNSA-N 441.532 4.022 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC[C@@](CO)(Cc3ccccc3)C2)nc1OCc1ccccc1 461887124 YRZPCNAKDKMZKY-RUZDIDTESA-N 433.508 4.390 5 20 IIBD O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)c2cccnc12 462358528 KHAXGRVOMBGPNM-UHFFFAOYSA-N 442.678 4.360 5 20 IIBD COc1ccc(Br)c(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 464622689 AFSKOWDPPWCVGJ-UHFFFAOYSA-N 435.274 4.050 5 20 IIBD C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464665129 RRINTSXJBYJOGY-AWEZNQCLSA-N 438.402 4.451 5 20 IIBD Cc1cnc(CCNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])nc1 466544743 YBZDFCIMDCZIQQ-UHFFFAOYSA-N 428.901 4.470 5 20 IIBD C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[S@](=O)Cc1cc([N+](=O)[O-])cc2c1OCOC2 467248073 JRYUJEZGUYCBKW-WIPGAUKJSA-N 449.872 4.175 5 20 IIBD CNC(=O)c1ccc(N2CCC[C@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)c([N+](=O)[O-])c1 468909597 KGFSZVHUMXLVNG-SFHVURJKSA-N 425.876 4.339 5 20 IIBD Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 469255796 INJAZKTZSAGGQH-MSOLQXFVSA-N 438.528 4.406 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C)c(C(=O)N(C)C(C)C)c2)cc1OC 470432889 NPDJKNKULMGGSB-UHFFFAOYSA-N 429.473 4.043 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)N(Cc1ccc(OC(F)F)c(OC)c1)C1CC1 470740193 JRMZVHDROGWJQH-UHFFFAOYSA-N 436.411 4.408 5 20 IIBD CN(C(=O)CSCC(=O)c1ccccc1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 471218817 DVVZIPQXPHKYJF-UHFFFAOYSA-N 427.507 4.297 5 20 IIBD CCC(=O)N1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1 475196089 YVYAVDFYOJXQMO-AWEZNQCLSA-N 433.917 4.140 5 20 IIBD CCCN1CCN(C(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c2cc(F)ccc21 476085341 SIBUNZMYGZLYBX-UHFFFAOYSA-N 439.390 4.221 5 20 IIBD CC(C)C[C@]1(CO)CCCN1C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 476467839 OZYFDVRCJAQMAC-HXOBKFHXSA-N 426.517 4.176 5 20 IIBD C[C@H](C(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1F 477264575 NJXPRYNDFCXEMW-STQMWFEESA-N 425.382 4.251 5 20 IIBD CC[C@H](C)Oc1ccc(C(=O)N2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)cc1 478075616 LYGZAHFVURRIAK-INIZCTEOSA-N 437.500 4.001 5 20 IIBD Cc1c(CNC(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)cccc1[N+](=O)[O-] 480062815 ORLKBHJUSKWRFN-UHFFFAOYSA-N 436.443 4.294 5 20 IIBD Cc1c([C@@H](C)NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)oc2ccccc12 481626983 MQGKVOKBPZMDHC-CYBMUJFWSA-N 437.481 4.420 5 20 IIBD O=C(Nc1n[nH]c(C(F)(F)F)n1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 481901997 RBRWADVZLKRJJD-UHFFFAOYSA-N 440.769 4.250 5 20 IIBD COc1ccc(F)c(N2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)c1 483428234 CFZBYPJIKIOGQI-UHFFFAOYSA-N 428.489 4.188 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCCc2cc(Br)ccc2F)cc1SC 483442249 UOPCGZIIZKVQEO-UHFFFAOYSA-N 443.294 4.199 5 20 IIBD CC(=O)N=c1cc[nH]cc1NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 486547165 GTPNCOOCOWLYIU-UHFFFAOYSA-N 442.884 4.427 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@H](c2cccc(F)c2)c2ccccn2)c(C)c([N+](=O)[O-])c1 486863720 BIOPFVAGKVNDIS-HXUWFJFHSA-N 438.415 4.135 5 20 IIBD CC(C)(C)C(=O)N1CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 486946335 QKBQUIRXSFEXFW-UHFFFAOYSA-N 427.526 4.077 5 20 IIBD Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(c3ncnc4sccc34)C2)cc1[N+](=O)[O-] 488080462 VEIWWUOQWSUMCZ-GOEBONIOSA-N 425.514 4.002 5 20 IIBD C[C@H](Sc1nnc(Cc2cccc(F)c2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 488828141 DETPCZCVWIEPNY-JTQLQIEISA-N 436.852 4.480 5 20 IIBD Cc1cc(N2CCC(NC(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)CC2)nc(C)n1 488831615 BEZYMOGNZZYPHN-UHFFFAOYSA-N 447.495 4.193 5 20 IIBD CS(=O)(=O)c1cccc([C@H](NCCc2ccc([N+](=O)[O-])cc2)c2ccc(F)c(F)c2)c1 491036361 YGECLWPVXVVDCJ-QFIPXVFZSA-N 446.475 4.198 5 20 IIBD COc1cccc([C@H](CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])N(C)C)c1 492979555 ZYYDBGFFHRFDPQ-DEOSSOPVSA-N 449.507 4.215 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CC3(CCC3)[C@H]2c2ccccc2)cc1[N+](=O)[O-] 495444797 MJHSQFRFXJNSJO-LJQANCHMSA-N 435.509 4.242 5 20 IIBD COCCN(C(=O)[C@H](C)Oc1ccccc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 498656433 LSQXOFAPSWAMLZ-AWEZNQCLSA-N 445.472 4.304 5 20 IIBD COc1cccc(CNS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1OC1CCCC1 500162378 LGLIUGRVICXINI-UHFFFAOYSA-N 434.514 4.020 5 20 IIBD COc1cc(C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)c([N+](=O)[O-])cc1OC(F)F 505140891 FOSCOZACUGKCRP-QGZVFWFLSA-N 442.802 4.072 5 20 IIBD CCOc1ccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1[N+](=O)[O-] 508014049 UYEHVDQNBITSNL-INIZCTEOSA-N 440.431 4.202 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)cc1[N+](=O)[O-] 508615298 YTWFINVJDBYFAJ-MZNJEOGPSA-N 438.528 4.422 5 20 IIBD Cc1ccc(NC(=O)CCc2nnc(-c3cc(F)ccc3Br)o2)cc1[N+](=O)[O-] 508786385 WFGWQWYMQMGLLF-UHFFFAOYSA-N 449.236 4.426 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(Cc1cccs1)C1CC1 509147333 RIGHEJYPRWAPFI-UHFFFAOYSA-N 442.278 4.374 5 20 IIBD Cc1nnc(Sc2ccc(NS(=O)(=O)c3c(C)cccc3[N+](=O)[O-])c(C)c2)s1 509536530 HRZRCUMYYLUHAX-UHFFFAOYSA-N 436.540 4.324 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H](C[C@H]1CCOC1)c1ccccc1 512207791 WAQKYGXASHXXOM-AUSIDOKSSA-N 426.516 4.439 5 20 IIBD COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2CC(C)C)cc1 513904515 XEJCXMDTJIGUBV-UHFFFAOYSA-N 441.513 4.249 5 20 IIBD COc1cc(CCNC(=O)N2CCC[C@H]2c2cccc(Cl)c2)c([N+](=O)[O-])cc1OC 515457672 NCCAIXYPPGATJF-KRWDZBQOSA-N 433.892 4.355 5 20 IIBD CC(C)n1ncc2c(C(=O)Nc3ccnn3-c3ccc([N+](=O)[O-])cc3)cc(C3CC3)nc21 518298973 OZXTZPPADNLJJP-UHFFFAOYSA-N 431.456 4.236 5 20 IIBD NC(=O)c1cccc(Oc2ccc(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)cc2)c1 518308788 FXCZLXLESVCSKL-UHFFFAOYSA-N 430.420 4.079 5 20 IIBD C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 518361452 AWBARTBODKSNSO-VLIAUNLRSA-N 426.860 4.036 5 20 IIBD CC(=O)Nc1cccc(OCCNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c1 519126763 NRRUAGOXCJKVLK-UHFFFAOYSA-N 435.436 4.154 5 20 IIBD COc1ccc(CSCC(=O)N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1[N+](=O)[O-] 520016995 FUKJJLRWGBYGFH-TZIWHRDSSA-N 434.489 4.012 5 20 IIBD Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C3)cc1 521905886 LEWHMFPLQYTZDQ-UHFFFAOYSA-N 446.463 4.451 5 20 IIBD COc1ccc(N(Cc2ccco2)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1F 523505825 KJAAIANJIVVRRG-UHFFFAOYSA-N 436.399 4.368 5 20 IIBD CC(C)(C(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccc([N+](=O)[O-])cc1 523508666 MJVHGUPVCXIQNT-UHFFFAOYSA-N 432.402 4.393 5 20 IIBD Cc1ccc(NCCCNC(=O)CSc2ncnc3sc(C)c(C)c23)c([N+](=O)[O-])c1 523515575 PRVAHUOLNGRAIA-UHFFFAOYSA-N 445.570 4.235 5 20 IIBD Cc1nn(C)cc1[C@H](C)NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 524339567 WOUQNJZOIAUFHD-ZDUSSCGKSA-N 427.892 4.393 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 524345514 ZQCKXXZQEKKEPJ-UHFFFAOYSA-N 431.374 4.002 5 20 IIBD C[C@H](NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)c1ccc(OCc2cccnc2)cc1 527036224 QJFCQRVGJLSLPN-KRWDZBQOSA-N 448.479 4.103 5 20 IIBD CCCC[C@]1(c2ccccc2)NC(=O)N(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1=O 534053868 JHPKGACVMWEMAR-HSZRJFAPSA-N 434.452 4.387 5 20 IIBD COc1cc(N2CCOC(C)(C)C2)ccc1N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 537457467 LBCLWPASSVPUJE-INIZCTEOSA-N 442.516 4.048 5 20 IIBD O=C(Nc1ncc(F)cc1I)c1cc2cc([N+](=O)[O-])ccc2s1 538559674 KAGVMRCWSJHUKY-UHFFFAOYSA-N 443.197 4.201 5 20 IIBD O=C(Nc1nc2c(s1)CCCCCC2)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 539413419 MBDFIBXICRHYFR-UHFFFAOYSA-N 430.515 4.232 5 20 IIBD COc1cccc2c1CCN(C(=O)c1ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c1)C2 541167973 ZWXIAQPLJIFOMO-MRXNPFEDSA-N 432.480 4.370 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 541261043 FZFALFHGLNUKGD-HSZRJFAPSA-N 425.554 4.202 5 20 IIBD C[C@H]1C[C@H](CCNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)CCO1 543252681 UVHKWOFUMPNBMM-UONOGXRCSA-N 449.554 4.067 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 544675677 RHKBMJAXBDEJLL-ZDUSSCGKSA-N 429.383 4.335 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)S(=O)(=O)c1ccc(Cl)cc1Cl 555095551 UQCZPZCQVRYSTM-QMMMGPOBSA-N 437.688 4.356 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 557447553 CVORICCUIOFPSZ-XMMPIXPASA-N 430.508 4.297 5 20 IIBD O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1 560217617 KEATZNGQUSYHQG-GOEBONIOSA-N 446.301 4.138 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CC[C@@H](C(=O)N4CCCC4)C3)cc2[N+](=O)[O-])cc1 561677339 MVMXWZRYVJZPJB-GOSISDBHSA-N 439.537 4.139 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCCC[C@H]1c1noc(-c2cnn(C)c2)n1 567240380 SCBUSWXGOBNPQM-SFHVURJKSA-N 439.476 4.090 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)CC[C@H]2c2ccccc2)cc1OC 569049671 ZWPJPQZECXHNFC-APWZRJJASA-N 428.485 4.242 5 20 IIBD Cc1ccc(-c2csc(NS(=O)(=O)Cc3c(F)cccc3F)n2)cc1[N+](=O)[O-] 570009725 VLNOPTRGRAISKA-UHFFFAOYSA-N 425.438 4.247 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)NC1(c2ccc(C(F)(F)F)cc2)CCCC1 575372786 VZPYMMPJSWBNOA-UHFFFAOYSA-N 439.365 4.277 5 20 IIBD CCOc1cc(Cc2noc(-c3cc([N+](=O)[O-])cc4c3OCCO4)n2)ccc1OC(F)F 578936728 MBKCMVGYAXOOHS-UHFFFAOYSA-N 449.366 4.007 5 20 IIBD CCOC(=O)[C@@H](C)NC(=O)c1ccc(NCc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1F 580578642 CFTFBYVRTBUAJZ-CQSZACIVSA-N 431.464 4.151 5 20 IIBD Cc1cc(C(C)(C)C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)ccc1Br 582272818 KVOYWVOCNYFHNA-UHFFFAOYSA-N 431.290 4.136 5 20 IIBD CSc1ccc(F)cc1CNCc1cc(I)cc([N+](=O)[O-])c1 589314249 XLZIPSKKRBRTRE-UHFFFAOYSA-N 432.258 4.350 5 20 IIBD COC(=O)c1ccc(N2CCCC2)c(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 591544596 NFJAVDFSJGDQOD-AWEZNQCLSA-N 429.498 4.101 5 20 IIBD Cc1ccc(C)c(OCc2nnc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)o2)c1 594640162 CQHWEEGKMKNCBR-CQSZACIVSA-N 428.470 4.293 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3cc(Cl)ccc3-n3cncn3)cc2[N+](=O)[O-])CC1 603432476 IOQQDEALUHKMRA-UHFFFAOYSA-N 440.891 4.318 5 20 IIBD O=C(NCc1cccc(COCc2ccco2)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 603627061 XSYHUGJMZMPWEN-UHFFFAOYSA-N 432.436 4.020 5 20 IIBD COc1ccc(CSc2nc(O)c3cnn(-c4cccc(Cl)c4)c3n2)cc1[N+](=O)[O-] 603724726 XTQIVPGSANXCLO-UHFFFAOYSA-N 443.872 4.384 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)NCc2ccc(OCc3ccccn3)cc2)cc1[N+](=O)[O-] 604040123 IACPHNCOVRKOEH-UHFFFAOYSA-N 447.900 4.009 5 20 IIBD CC(C)(CCNC(=O)c1ccc([N+](=O)[O-])cc1I)c1ccccc1 604567336 PXFCXRDIBUFXMZ-UHFFFAOYSA-N 438.265 4.297 5 20 IIBD Cn1c(-c2ccc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)cc2)nc2ccccc21 608954467 OQRRJSUDMUKDJR-UHFFFAOYSA-N 430.420 4.172 5 20 IIBD CCCCN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CC(C)(C)NC(C)(C)C1 609518286 WFNRHZVGXWZJRA-UHFFFAOYSA-N 427.549 4.332 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H](C(C)(C)C)CC1 609702556 FUQNPYHAKYJBQM-HKUYNNGSSA-N 435.590 4.121 5 20 IIBD CC[C@@H](C(=O)N1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1)c1ccccc1 609792879 QRLLHBVSGXJMKW-HXUWFJFHSA-N 443.931 4.092 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F 610117274 HYHGLURKHRQZTH-UHFFFAOYSA-N 428.314 4.103 5 20 IIBD C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 610122460 XHCCPESUMYKMIW-QGZVFWFLSA-N 436.537 4.455 5 20 IIBD O=C(CSc1n[nH]c(-c2cc(F)cc(F)c2)n1)Nc1ccc(Cl)cc1[N+](=O)[O-] 610219721 KOJGQEXVLQXMGV-UHFFFAOYSA-N 425.804 4.042 5 20 IIBD COc1ccc2c(c1)OCC[C@@H]2NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 610241037 RMANSKHEKTUAFW-FQEVSTJZSA-N 433.464 4.469 5 20 IIBD O=C(c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2)N1CC[C@H](CO)C1 611157480 UNWBPBJDAWLNSE-UZNZLNSGSA-N 443.503 4.474 5 20 IIBD CCCCNC(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC1 611200341 OWFVLIOSUQMGDL-UHFFFAOYSA-N 433.574 4.398 5 20 IIBD C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1ccc([N+](=O)[O-])cc1I 611549784 ZZUMABVGIBMFSV-DTWKUNHWSA-N 442.175 4.002 5 20 IIBD COC(=O)Cc1csc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)n1 612462191 FZPGBLGTLJCNHH-UHFFFAOYSA-N 435.527 4.301 5 20 IIBD Cc1ccc(-c2csc(NC(=O)CCc3nc(O)c4ccccc4n3)n2)cc1[N+](=O)[O-] 619729298 AFNHKPMYMYNDHV-UHFFFAOYSA-N 435.465 4.247 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OCc2ccc(Br)cc2)ccc1[N+](=O)[O-] 726674317 KSSHOJZXEBTIMB-GOSISDBHSA-N 447.285 4.014 5 20 IIBD O=[N+]([O-])c1nn(CN(Cc2ccc3c(c2)OCO3)C2CCCCC2)cc1Br 728283506 MQBCDEFFBJQDIN-UHFFFAOYSA-N 437.294 4.075 5 20 IIBD C[C@H](OC(=O)Cc1ccccc1C(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 729764029 ZGMQSOJSWDEQAX-JTQLQIEISA-N 430.766 4.380 5 20 IIBD CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 732104644 IMABYYIASQYWTR-OAQYLSRUSA-N 446.529 4.142 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])o1)C(=O)Nc1cccc(CSc2ccccn2)c1 733384832 GFJUTTIBFVUKFO-ZDUSSCGKSA-N 427.438 4.059 5 20 IIBD CCOc1cc(CCCNC(=O)c2ccc(Br)c([N+](=O)[O-])c2)ccc1OC 736047193 HNBFWOQSSSEDMK-UHFFFAOYSA-N 437.290 4.127 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)N(Cn1nc(-c3cccnc3)n(Cc3ccco3)c1=S)CCC2 738043225 DJWASLZIGAVLSJ-UHFFFAOYSA-N 448.508 4.436 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Br)c1cccc(Nc2ncccn2)c1 740579044 AYFAIZSJZBXXJN-UHFFFAOYSA-N 429.230 4.248 5 20 IIBD COc1ccc2c(c1)OCC[C@H]2NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 741960496 RSAXCFCONGCVBL-HXUWFJFHSA-N 425.485 4.093 5 20 IIBD O=C(NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 744001731 IESRNEVMQCPEIE-CHWSQXEVSA-N 449.699 4.164 5 20 IIBD C[C@H](OC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1nc(-c2ccc(Cl)cc2)no1 746076397 XBACSDMFLNFQOK-JTQLQIEISA-N 440.799 4.470 5 20 IIBD Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)OCc3ccc([N+](=O)[O-])cc3F)c12 746967468 PUVQRNKCVNLPCY-UHFFFAOYSA-N 447.426 4.406 5 20 IIBD C[C@H](OC(=O)c1ccc(Br)c(O)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 750552658 XBRJIMCHMRCCJS-VIFPVBQESA-N 434.202 4.031 5 20 IIBD O=C(Nc1ccccn1)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1 750841697 WQPVPKDPUXJTEF-UHFFFAOYSA-N 431.452 4.095 5 20 IIBD O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)c1cc([N+](=O)[O-])ccc1Br 751092605 GSGFRPINLBIZPB-UHFFFAOYSA-N 426.217 4.488 5 20 IIBD COc1cc(CN2CCC[C@H](C3(C)OCCO3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 753594315 IIVZYFSPRVTKCS-FQEVSTJZSA-N 442.512 4.157 5 20 IIBD O=C(OCCNc1ccc(-c2ccccc2)nn1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 753831208 YXMFHUYDJCZLAJ-UHFFFAOYSA-N 447.476 4.444 5 20 IIBD Cc1cc(Br)ccc1OC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 755245418 CQOUPMIKYHDFOI-UHFFFAOYSA-N 449.286 4.165 5 20 IIBD Cc1c(F)ccc2sc(NS(=O)(=O)c3cc(Br)ccc3[N+](=O)[O-])nc12 756849901 UNVAVZPBSXKOHF-UHFFFAOYSA-N 446.279 4.215 5 20 IIBD Cc1cccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])c1Br 757815469 IYLFANSDOCEDNU-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N(Cc1ccc(O)cc1)Cc1ccco1 760815069 IILFTQFWQVDQCB-UHFFFAOYSA-N 431.242 4.499 5 20 IIBD Cn1c(SCC(=O)Nc2ccc(-c3ccccc3)cc2)nc2cc([N+](=O)[O-])ccc2c1=O 762485644 VGLKRPYOTUEJEQ-UHFFFAOYSA-N 446.488 4.240 5 20 IIBD COc1ccc(OC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)c(Br)c1 763660907 IKBDOFDKGCVSGP-UHFFFAOYSA-N 442.287 4.213 5 20 IIBD C[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 764389325 XOIBLYYXQMSLON-WMZOPIPTSA-N 446.548 4.304 5 20 IIBD Cc1cc(C)cc(OCc2noc(COC(=O)c3ccc([N+](=O)[O-])c4cccnc34)n2)c1 766229274 JQXOOTILBBHSAR-UHFFFAOYSA-N 434.408 4.079 5 20 IIBD CCOc1cc(C(=O)O[C@H](Cc2ccc(Cl)cc2F)C(C)=O)c([N+](=O)[O-])cc1OC 768414582 JKMLDMGIVZAMOI-QGZVFWFLSA-N 439.823 4.152 5 20 IIBD CC(=O)[C@H](Cc1c(F)cccc1F)OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 768648715 LZKBGFCFNXQDGJ-SFHVURJKSA-N 432.404 4.354 5 20 IIBD O=C(Nc1ccccc1)c1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)ccc1Cl 768883221 YHIJWXMSZJQQGU-UHFFFAOYSA-N 437.886 4.363 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccccc1Cl 770157234 QWKWVYQXBZJLSL-SNVBAGLBSA-N 441.665 4.045 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1Nc1cnn(Cc2nnc3n2CCCC3)c1 770185912 HHIVQLFOMDWONO-UHFFFAOYSA-N 441.801 4.183 5 20 IIBD CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 771554641 XGIOKPZNMAQIKC-SFHVURJKSA-N 439.281 4.328 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NCCc2cnc(C)s2)c([N+](=O)[O-])c1 771925754 BOZWCJZAIIMILV-UHFFFAOYSA-N 446.554 4.230 5 20 IIBD CCc1ccccc1NC(=O)[C@H](C)OC(=O)c1sc(Br)cc1[N+](=O)[O-] 773613065 NRTUZJYZLVUFMG-VIFPVBQESA-N 427.276 4.165 5 20 IIBD O=C(OCC(=O)N(Cc1ccccc1)c1ccccc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 774179828 OYAGCRCTJHBBEZ-UHFFFAOYSA-N 429.432 4.466 5 20 IIBD CC(C)([C@H](OC(=O)Cc1ccc2c(c1)COC2)c1ccc(Br)cc1)[N+](=O)[O-] 774373165 KQQPOBNNCNHCNQ-LJQANCHMSA-N 434.286 4.362 5 20 IIBD Cc1nccn1-c1ncccc1CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] 774678342 CISRANGSJOWNTD-UHFFFAOYSA-N 428.321 4.145 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(C(F)(F)F)cc1Cl 775108076 XBPBQLQBKPOTBX-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 778150483 CXAJEHKHPVJIAV-HDICACEKSA-N 449.551 4.011 5 20 IIBD Cc1cc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 778599744 YXPFSPOTTBNFAF-WBVHZDCISA-N 427.505 4.100 5 20 IIBD Cc1sc2nc([C@H](C)OC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)nc(O)c2c1C 778888826 YYXHQJZRHJMSBE-QMMMGPOBSA-N 439.396 4.441 5 20 IIBD CC1(NC(=O)OC(C)(C)C)CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 780483275 PVALBVLGALLVMK-UHFFFAOYSA-N 434.537 4.006 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NOCc1ccc(F)cc1Br 780537007 NDCJOCBQSBMQBT-UHFFFAOYSA-N 432.633 4.081 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Oc2ccc3c(c2)NC(=O)CC3)cc1[N+](=O)[O-])c1ccccn1 781141349 NXOIYZFNPSMGFB-CQSZACIVSA-N 432.436 4.267 5 20 IIBD C[C@H](OC(=O)c1cccc([N+](=O)[O-])c1Br)C(=O)c1ccc(OC(F)F)cc1 781678168 OILRVKBCRHAFDV-VIFPVBQESA-N 444.184 4.387 5 20 IIBD CCc1ccccc1NC(=O)C1=C(C)N(CC)C(=S)N[C@@H]1c1ccc([N+](=O)[O-])s1 782246043 VZVJUYGVJDTBIO-GOSISDBHSA-N 430.555 4.383 5 20 IIBD CC(=O)c1cc(Br)ccc1NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 784734667 BTBNFMRDGLAJKK-UHFFFAOYSA-N 436.218 4.039 5 20 IIBD O=C(c1cc(Br)cs1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791171244 DAKKKJHDGOVWQW-UHFFFAOYSA-N 446.120 4.380 5 20 IIBD CN(Cc1ccc(Br)o1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 791423996 WUJVRUMNQPHDDL-UHFFFAOYSA-N 444.090 4.078 5 20 IIBD CC(C)(C)C(=O)N1CCC(CN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC1 792910585 FBNICGZYYDBVKX-UHFFFAOYSA-N 438.366 4.000 5 20 IIBD O=C(N[C@@H](c1cncc(Br)c1)C1CC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 793482721 DGWOBQCMTAAAEE-OAHLLOKOSA-N 426.217 4.112 5 20 IIBD O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)Nc1cccc(Cl)c1F 795282786 ICKCCLKPVBBJNY-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)N1CCC[C@@H]1c1cccc(F)c1 795804409 ZEZYRIKPYKAQHF-CQSZACIVSA-N 447.257 4.161 5 20 IIBD O=[N+]([O-])c1cc(Cl)c(OS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)cc1F 796206805 BWAGXULEUQOQJI-UHFFFAOYSA-N 429.731 4.195 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Oc2cc(F)c([N+](=O)[O-])cc2Cl)cc1[N+](=O)[O-] 796208426 ZTHFWVXJROPYCC-UHFFFAOYSA-N 425.177 4.025 5 20 IIBD COC(=O)/C=C\c1ccc(OC)c(OC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1 797308795 FLYIQHMIMITAOC-YWEYNIOJSA-N 437.857 4.141 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NS(=O)(=O)c1c(Cl)cc(F)cc1Br 800051806 SJHPEXZFKLKYIQ-UHFFFAOYSA-N 441.637 4.398 5 20 IIBD CC(C)(C)OC(=O)NC[C@@]1(C)CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 800878608 CFENIIUTHWNDAD-QGZVFWFLSA-N 448.398 4.263 5 20 IIBD Cc1cc(NCc2ccc(N3C(=O)N[C@](C)(C4CC4)C3=O)cc2)c2cccc([N+](=O)[O-])c2n1 804703308 YHXCKWHUGNSLOM-XMMPIXPASA-N 445.479 4.288 5 20 IIBD O=C(Nc1ncc(C2(O)CCCCC2)s1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 809776939 BVNMVVAWLINPMY-UHFFFAOYSA-N 445.419 4.396 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(C(F)(F)F)cc1 812585792 DLFSOUCVJOQPPA-UHFFFAOYSA-N 432.148 4.416 5 20 IIBD O=C(O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)c1ccccc1OCc1cscn1 813171382 JQGMJLXHGLLYOW-IBGZPJMESA-N 439.493 4.062 5 20 IIBD Cc1ccc(F)cc1NC(=O)[C@H](C)OC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 826131454 SYHXOVPTBZCCCH-INIZCTEOSA-N 443.475 4.463 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c2ccccc2)cc1 915525412 YQIPOEZJAHPEJT-HSZRJFAPSA-N 444.447 4.176 5 20 IIBD CC[S@@](=O)c1ccccc1C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 917511233 HBBKIVXGOQGRIA-WJOKGBTCSA-N 438.461 4.194 5 20 IIBD COc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c([N+](=O)[O-])cc1OCc1cscn1 919985977 YIWNPACDSNHOMU-UHFFFAOYSA-N 444.425 4.108 5 20 IIBD O=C(NCCSCc1cccc2ccccc12)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 920197487 PAGJDRSDHCAWQV-UHFFFAOYSA-N 443.912 4.390 5 20 IIBD C[C@@H](Cc1cccc(F)c1)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 921110449 SJOYPWMDXIEUGQ-NSHDSACASA-N 428.338 4.113 5 20 IIBD COc1ccc(OCCSCc2nnc(-c3ccc(Cl)cc3)n2C)c([N+](=O)[O-])c1 1116652899 BYOOMRQFUQSCPK-UHFFFAOYSA-N 434.905 4.365 5 20 IIBD COc1cc(CN2CCO[C@@H](c3ccc(Cl)s3)C2)c([N+](=O)[O-])cc1OC(F)F 1318853346 YEUOLURPEFORIZ-CQSZACIVSA-N 434.848 4.493 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CC(Cc3ccccc3C(F)(F)F)C2)cc1OC 1319034159 AUKVVXVGVACVBH-UHFFFAOYSA-N 438.402 4.336 5 20 IIBD CC1=C(C(=O)N(C)C)[C@H](c2cc(Cl)ccc2[N+](=O)[O-])NC(=S)N1c1ccccc1C 1322011742 GLUZKYIJRPAQKG-IBGZPJMESA-N 444.944 4.355 5 20 IIBD CC(C)c1ccc(-c2noc(CCC(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)n2)cc1 1463539961 GUMVUDAWBIQFPG-UHFFFAOYSA-N 449.511 4.050 5 20 IIBD Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4nc[nH]c4[N+](=O)[O-])cc3)CCC2)cc1 1788613210 MMSMHPZPJBJLRR-UHFFFAOYSA-N 447.495 4.007 5 20 IIBD O=C(CCOc1ccccc1)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1 1790184289 AEVQPVWERHQBQM-UHFFFAOYSA-N 448.479 4.140 5 20 IIBD COc1cc(CC(=O)Nc2ccc(C3(NC(=O)/C=C/C4CC4)CCC3)cc2)ccc1[N+](=O)[O-] 1790477323 INIYYZJNVUTBHI-WUXMJOGZSA-N 449.507 4.246 5 20 IIBD Cc1cc(C)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc([N+](=O)[O-])o2)c(C)c1 1793277949 YCBCWRDEGBTOBR-RVCPKINZSA-N 437.496 4.078 5 20 IIBD CCCCC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc([N+](=O)[O-])c(OC)c1 1800048918 RWQDSTAUHWHROK-FFGOWVMKSA-N 445.560 4.001 5 20 IIBD C/C=C(/C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(F)ccc([N+](=O)[O-])c2C)[nH]n1 1821900702 IUBZUFMQFLLPNV-NFVXFYCRSA-N 429.452 4.038 5 20 IIBD Cc1c(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C2CCC2)CC3)cc(Cl)cc1[N+](=O)[O-] 1823703555 MYTQBGUJZIQVDO-CYBMUJFWSA-N 448.932 4.039 5 20 IIBD Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3=CCCC3)CC2)cc1[N+](=O)[O-] 1830363354 XHKZYMVKIATAJO-JOCHJYFZSA-N 439.556 4.176 5 20 IIBD CC[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)CC1 1831696879 YYXILZRNFNPGGJ-CUWPLCDZSA-N 444.576 4.373 5 20 IIBD COCCn1c(SCc2ccccc2[N+](=O)[O-])nc2sc3c(c2c1=O)CCCC3 8639751 UZQQOFHANYZEAQ-UHFFFAOYSA-N 431.539 4.184 5 20 IIBD O=C(CSc1nc(-c2ccccc2F)n[nH]1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9837354 IHHHYOSSAMUDIQ-UHFFFAOYSA-N 441.366 4.269 5 20 IIBD Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)cc1[N+](=O)[O-] 15409042 UXQRISKTHJBLRZ-UHFFFAOYSA-N 431.514 4.109 5 20 IIBD C[C@H](OC(=O)COc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 16905455 ITBOXNLYHQTLHZ-JTQLQIEISA-N 446.765 4.216 5 20 IIBD COCc1c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2cccc(F)c12 17937836 CHAMSVFQQCTYIE-LLVKDONJSA-N 432.429 4.279 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(F)c(Cl)cc2Cl)c([N+](=O)[O-])c1 18458119 ZCQSOSGEPYJNIV-MRVPVSSYSA-N 431.203 4.233 5 20 IIBD COc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C 22212758 JGWTWTBRTFWQEF-NSHDSACASA-N 447.904 4.172 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N(C)Cc1nc2ccccc2s1 22669690 PZEVMEPGNRWTTE-NSHDSACASA-N 433.873 4.062 5 20 IIBD CC(C)CNC(=O)COC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 26426619 BHPXILZULQIIQG-UHFFFAOYSA-N 445.522 4.285 5 20 IIBD O=C(CSc1nc(-c2ccco2)nc2ccccc12)N1CCc2ccc([N+](=O)[O-])cc21 28662519 DKVZUXJGPQGNJZ-UHFFFAOYSA-N 432.461 4.479 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)N1CCCCC1 59782503 QTQHCIQNQQYQPO-LAUBAEHRSA-N 443.569 4.427 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccccc2F)c1 60487643 QFUKPISTRQXQHM-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD COc1ccc(C2(CNC(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CCCCC2)cc1 63233505 VUHGGIYKDZHBQX-UHFFFAOYSA-N 445.903 4.214 5 20 IIBD CCOC(=O)CN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1F 64933874 WMUQQXYHGVPXSK-UHFFFAOYSA-N 429.429 4.067 5 20 IIBD Cc1cc(S(=O)(=O)NCc2cccc(COCc3ccccc3)c2)ccc1[N+](=O)[O-] 97572870 QJWDVEQIVMOCCW-UHFFFAOYSA-N 426.494 4.099 5 20 IIBD COCCOC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 108994304 REVIMVBPSDAOBS-UHFFFAOYSA-N 442.472 4.032 5 20 IIBD COc1cc(CNCc2cn3cccc(C)c3n2)c([N+](=O)[O-])cc1OCc1ccccc1 237293560 ZFVUVGINZYYISB-UHFFFAOYSA-N 432.480 4.428 5 20 IIBD COC[C@@H](Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1ccc(Cl)cc1 302859663 OJOROIUHRANFMY-QGZVFWFLSA-N 435.267 4.247 5 20 IIBD Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1C(F)(F)F 303429908 FMDJLEXDQOFIIU-CYBMUJFWSA-N 427.404 4.227 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cc(Cl)c(C)cc2Br)cc1[N+](=O)[O-] 325846116 XIWULONPZMDAQC-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD O=C(C[C@H]1CCCCC(=O)N1)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 409721127 PUQKNMZDPZLYPB-CQSZACIVSA-N 449.866 4.245 5 20 IIBD C[C@@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)CCS1 426478624 DYTQZSJDXWADMC-GFCCVEGCSA-N 437.568 4.100 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1c(-c2ccncc2)nc2ccccn12 430660467 DCLRHTLNEIDUOR-CYBMUJFWSA-N 437.843 4.364 5 20 IIBD O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1cccc([N+](=O)[O-])c1O 436932115 ABPXLBXQOYAAMI-UHFFFAOYSA-N 447.856 4.007 5 20 IIBD COc1cccc([C@@H](C)N2CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC2)c1 437162455 YZGNVJXFHUADAA-CQSZACIVSA-N 437.418 4.141 5 20 IIBD CO[C@@H](C)CN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(C)C 441157168 OSXCNEDERWCDMQ-ZDUSSCGKSA-N 437.543 4.018 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1ccc(Br)s1 443337747 CSSNZLZVEPVVNA-SNVBAGLBSA-N 428.308 4.107 5 20 IIBD CSc1nnc(CCCNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)n1C1CCCC1 443949227 OSTIHGICMFCSNF-UHFFFAOYSA-N 432.550 4.394 5 20 IIBD CCN(C[C@@H]1COc2ccccc2O1)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444012019 UGBBTTJOMMSSTM-OAHLLOKOSA-N 432.451 4.123 5 20 IIBD C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1Cc1nc2ccc([N+](=O)[O-])cc2[nH]1 444664356 NNWYUEPSJNWLSY-HXPMCKFVSA-N 431.290 4.196 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1sc(Br)cc1[N+](=O)[O-] 444839226 YJGGOFIFEAPIQH-UHFFFAOYSA-N 435.303 4.151 5 20 IIBD COc1ccc(NC(=O)Cc2noc(-c3ccc(NC4CC4)c([N+](=O)[O-])c3)n2)cc1Cl 445382492 CMSDVOAKTDMBSJ-UHFFFAOYSA-N 443.847 4.062 5 20 IIBD Cn1cnc([N+](=O)[O-])c1-c1noc(-c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)n1 445581641 CFTXOAQRZBXRAG-UHFFFAOYSA-N 439.863 4.153 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cnn(-c4ccc(Cl)cc4)c3C)n2)c1 445582772 ILSIHCOTNIXDPZ-UHFFFAOYSA-N 425.832 4.392 5 20 IIBD CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CCN(Cc2ccccc2)CC1 445808112 QDIKCTXEEKHPCZ-UHFFFAOYSA-N 446.345 4.023 5 20 IIBD CCOC(=O)[C@H]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc21 446249532 RZKRGUHHRJRYQV-INIZCTEOSA-N 432.860 4.101 5 20 IIBD Cc1ccc(CN(C(C)C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)s1 447033410 HQLDLUNNVNZWLK-UHFFFAOYSA-N 433.349 4.327 5 20 IIBD Cc1sc(NC(=O)Cc2ccnc(O)c2Br)nc1-c1cccc([N+](=O)[O-])c1 447394381 QOEBZPYWFVRPIU-UHFFFAOYSA-N 449.286 4.071 5 20 IIBD Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 461391284 YWLKKFTYMOPODV-UHFFFAOYSA-N 440.887 4.145 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1Cc2ccc(OC)cc2C2(CC2)C1 461436148 AMRPYYDAYAYTGW-UHFFFAOYSA-N 428.510 4.030 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl 464011777 KAWJPPZOJJQPKA-SNVBAGLBSA-N 428.247 4.473 5 20 IIBD CCc1noc(C)c1CSc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] 466380582 OPKSVNIVAKBZSH-UHFFFAOYSA-N 439.559 4.311 5 20 IIBD O=C(c1cc(COc2ccccc2F)on1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 466423255 YESVAYDLSFJVFW-FQEVSTJZSA-N 429.429 4.189 5 20 IIBD COC(=O)COc1ccc(CNC2(c3ccc(Cl)c(Cl)c3)CC2)cc1[N+](=O)[O-] 466473021 ISRNHTPFXCSSNS-UHFFFAOYSA-N 425.268 4.232 5 20 IIBD Cc1ccc(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])c(OC[C@H]2CCCO2)c1 466630934 NEVXCVGYOHHCJB-MRXNPFEDSA-N 449.301 4.154 5 20 IIBD O=C(N[C@H](CO)CC(F)(F)F)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 468330620 HLITULKGCYZBEA-LBPRGKRZSA-N 434.823 4.443 5 20 IIBD CC(C)(C)c1ccc(Oc2ccc(CNCc3nnnn3CC3CC3)cc2[N+](=O)[O-])cc1 472074858 PPSQFGWAXSJHEQ-UHFFFAOYSA-N 436.516 4.371 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2cc([C@@H]3CCCOC3)[nH]n2)cc1[N+](=O)[O-])c1ccccn1 473406352 BSTMPQMJEZFIFO-GDBMZVCRSA-N 436.472 4.032 5 20 IIBD COc1ccc(CCNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c(OC)c1OC 475214213 GDHDURPCZREASA-UHFFFAOYSA-N 443.378 4.004 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)N1CCc2nnc(O)cc2C1 479469149 FTTODWLAGWXKKN-UHFFFAOYSA-N 442.884 4.094 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(Nc2ccc(N3CCCCC3)c3ncccc23)s1 480565364 FUCNCPZXXODAEL-UHFFFAOYSA-N 432.527 4.342 5 20 IIBD CCN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@@H](C)Cc1ccccc1C(F)(F)F 484705207 TXGBHHRMCBYIDD-AWEZNQCLSA-N 447.417 4.288 5 20 IIBD C[C@@H](Sc1ccc(Br)cc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)OCO2 485265713 VOLZATBNZFJETK-SECBINFHSA-N 425.260 4.205 5 20 IIBD CS(=O)(=O)c1ccc(N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)c([N+](=O)[O-])c1 485419700 FRSARFOCSODZPI-HAQNSBGRSA-N 443.294 4.258 5 20 IIBD CCOCC(=O)COc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 486045430 AHIRUEOUELDCTA-UHFFFAOYSA-N 427.240 4.138 5 20 IIBD CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 486420543 RCNGGQCRCJIMQD-HXUWFJFHSA-N 426.448 4.143 5 20 IIBD Cc1cscc1CNC(=O)c1cc(C(=O)NCc2cscc2C)cc([N+](=O)[O-])c1 486704142 RMYJSOGJFSAHJM-UHFFFAOYSA-N 429.523 4.195 5 20 IIBD Cc1c(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nnn1-c1ccccc1Cl 486732049 GTRVUJUPFPSJEG-UHFFFAOYSA-N 439.781 4.086 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCN(C)c4ncccc43)cc2[N+](=O)[O-])n1 488288749 UICDTSJYIPRAMN-UHFFFAOYSA-N 427.511 4.003 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)cc1[N+](=O)[O-] 489293444 QLRKHHONWSXJDE-OAHLLOKOSA-N 432.471 4.206 5 20 IIBD C[C@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 489947240 RZCGVKKYKMWCOG-LIRRHRJNSA-N 437.418 4.328 5 20 IIBD O=C(CN(Cc1cccc([N+](=O)[O-])c1)C1CC1)NCc1ccc(F)cc1C(F)(F)F 490052099 FNQBBRFNKOXBDG-UHFFFAOYSA-N 425.382 4.034 5 20 IIBD CCOCCOc1ccc(Br)cc1NC(=O)NCc1ccccc1[N+](=O)[O-] 493626823 RYOBYVDMXDFYCH-UHFFFAOYSA-N 438.278 4.094 5 20 IIBD C[C@H](CNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1c(Cl)cccc1Cl 494897451 YRTGMTMUXCTORL-GFCCVEGCSA-N 426.304 4.248 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc(=O)n(Cc2ccccc2Cl)c1 498566328 JNYVWVKVEVZCIR-UHFFFAOYSA-N 436.855 4.052 5 20 IIBD O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 498881492 VKKZDGOWUZHTGF-KRWDZBQOSA-N 432.484 4.354 5 20 IIBD CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 500710390 DKCILIIQCZMVLY-UHFFFAOYSA-N 444.702 4.334 5 20 IIBD COc1cc(CSc2nncn2-c2ccccc2C)c([N+](=O)[O-])cc1OCC(F)F 502872967 SKIQQYXHRMQDGD-UHFFFAOYSA-N 436.440 4.429 5 20 IIBD O=C(N[C@H](Cc1nc[nH]n1)c1ccccc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 506380114 UXIBLQALXJPTHH-OAQYLSRUSA-N 442.479 4.039 5 20 IIBD CN(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c1 507542390 NSXJXEYRNBSKOV-UHFFFAOYSA-N 428.779 4.195 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCOCC2)c2ccncc12 510050567 ROZJSCDMNXYEHX-UHFFFAOYSA-N 449.511 4.422 5 20 IIBD Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 518279767 LYYZEKASZJUQOE-OAHLLOKOSA-N 425.514 4.070 5 20 IIBD CC1CCN([C@H](CNC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)c2ccccc2)CC1 518457521 WZIVWKUZYQIULE-JOCHJYFZSA-N 434.496 4.052 5 20 IIBD COc1cc(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)c([N+](=O)[O-])cc1OC(F)F 519931694 KQZKWICJGMGHNY-OAHLLOKOSA-N 448.382 4.185 5 20 IIBD COc1cc(OCC(=O)Nc2ccnn2Cc2ccc(C(C)(C)C)cc2)ccc1[N+](=O)[O-] 519973923 PQIWCJHISBDSIB-UHFFFAOYSA-N 438.484 4.163 5 20 IIBD Cc1sc2nc(CS[C@H](C)C(=O)N3CCc4c3cccc4[N+](=O)[O-])nc(O)c2c1C 523089380 WRFSKMUGXQNGKW-GFCCVEGCSA-N 444.538 4.133 5 20 IIBD O=C(NC1CC1)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)ccc1Cl 523507213 JPRPNUGTXMHOOJ-UHFFFAOYSA-N 438.665 4.155 5 20 IIBD COCCOc1c(Cl)cccc1NC(=O)c1ccc([N+](=O)[O-])cc1Br 523532972 JNACGIYYCWZKIH-UHFFFAOYSA-N 429.654 4.288 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCc3ccc(-n4cncn4)cc3)c([N+](=O)[O-])c2)cc1 531253093 QLCKXEAAEZUWDF-UHFFFAOYSA-N 428.452 4.348 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(CCCO)Cc1ccc(Cl)c(Cl)c1 533279253 VNCUACBHCUFSET-UHFFFAOYSA-N 426.300 4.033 5 20 IIBD COc1ccc(NC(=O)CCN2CCC[C@H](c3nc4ccccc4s3)C2)c([N+](=O)[O-])c1 533334787 OMQRCBOYVLVTHF-HNNXBMFYSA-N 440.525 4.421 5 20 IIBD NC(=O)[C@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)c1cccc(Br)c1 534879964 CKRSCVWRTPVISU-GOSISDBHSA-N 427.258 4.058 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N[C@@H](CO)C1CCCCC1 536474285 PQTUSWHCYJNQOQ-QHCPKHFHSA-N 448.523 4.047 5 20 IIBD Cc1cccc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])c1C(=O)N1CCCC1 537212493 JZFPUTCFDLGBFB-UHFFFAOYSA-N 430.464 4.454 5 20 IIBD CCc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cnn1-c1ccc(Br)cc1 537767155 DEXIRHBBGARQRV-UHFFFAOYSA-N 431.246 4.063 5 20 IIBD O=C(N[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 539696160 BZWLAGNEMABINA-DLBZAZTESA-N 445.401 4.260 5 20 IIBD CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c2ccccc12 540858470 PSEDMQDGLFDGOE-UHFFFAOYSA-N 439.493 4.060 5 20 IIBD Cc1cc(C(=O)NCC(=O)N2C[C@@H](C)C[C@H]2c2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] 541148322 WUDJKEQMGSPQLR-DJJJIMSYSA-N 449.429 4.262 5 20 IIBD O=C(COc1cccc(NC(=O)c2ccco2)c1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 543916769 GAUCXLSZZHPKBD-UHFFFAOYSA-N 449.341 4.476 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)C2(c3nc(-c4ccc(N)c([N+](=O)[O-])c4)no3)CCCC2)c1 545553870 RXRCYENVUNIKQY-UHFFFAOYSA-N 442.497 4.087 5 20 IIBD COc1ccc(Cc2nc(Cc3c[nH]c4ccc(Br)cc34)no2)cc1[N+](=O)[O-] 545690640 IZDIIWFRRJMHFR-UHFFFAOYSA-N 443.257 4.412 5 20 IIBD NC(=O)c1ccc(SCc2nc(Cc3c[nH]c4ccc(Cl)cc34)no2)c([N+](=O)[O-])c1 546456467 HTYVGRQPOGSMOA-UHFFFAOYSA-N 443.872 4.095 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)N[C@@H](C(C)(C)C)C(F)(F)F)c1ccccc1[N+](=O)[O-] 547855606 WRSMELNDLFIZRJ-BBRMVZONSA-N 433.427 4.254 5 20 IIBD O=C(Cc1noc(-c2cc([N+](=O)[O-])ccc2C(F)(F)F)n1)Nc1cccc2ncccc12 551036514 PZEXUMCYWLNLRX-UHFFFAOYSA-N 443.341 4.393 5 20 IIBD O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 552794241 UVUIRFWEWYQOPO-INIZCTEOSA-N 445.401 4.214 5 20 IIBD CN(C[C@@H](O)C(F)(F)F)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 554940506 IIWGKKVTLXVGFQ-OAHLLOKOSA-N 434.823 4.395 5 20 IIBD Cc1ccc(-c2noc(-c3ccc([N+](=O)[O-])cc3Br)n2)c(N2CCCC2)n1 562204800 JVRZNZQNTXZNSE-UHFFFAOYSA-N 430.262 4.378 5 20 IIBD O=[N+]([O-])c1cc2c(O)ncnc2cc1N1CCC[C@@H](Nc2cccc(Br)c2)C1 565815267 NQYLUZDWUZNPEI-CQSZACIVSA-N 444.289 4.087 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN3CCCN(CC(F)F)CC3)o2)c(Br)c1 569273722 ZUKYUVZWJKFUMZ-UHFFFAOYSA-N 444.276 4.390 5 20 IIBD COc1ccc(CSCc2nc(C(C)(C)NC(=O)c3ccccc3)no2)cc1[N+](=O)[O-] 571087070 XUSDEAJTJFTAOJ-UHFFFAOYSA-N 442.497 4.085 5 20 IIBD CC(=O)N1C[C@@H]2CCC[C@@H](NCc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)[C@H]2C1 572625640 QQTUKZNGANDCNI-DZFGPLHGSA-N 427.476 4.263 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)c(C)c([N+](=O)[O-])c1 578002583 IZUKXQHJRYTHDP-GOSISDBHSA-N 437.456 4.244 5 20 IIBD O=C(c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)N1CCC[C@@H](O)CC1 581830612 WXMBBMPORHDUFI-CQSZACIVSA-N 429.523 4.343 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3c(O)n[nH]c3-c3ccccc3)cc2[N+](=O)[O-])C1 590561710 FQHJZQFJCUQGPX-GJZGRUSLSA-N 435.484 4.425 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 603584307 XLCBSMCQKRQNDX-UWVGGRQHSA-N 434.358 4.091 5 20 IIBD COC(=O)[C@@H](C)CN(C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C1CC1 608851320 MWTBKSOEEKSQGS-AWEZNQCLSA-N 445.903 4.274 5 20 IIBD CCOc1cc(C(=O)NCc2ccc(-c3nc4ccccc4[nH]3)cc2)c([N+](=O)[O-])cc1OC 609090741 HDSHQZWWLGEBLZ-UHFFFAOYSA-N 446.463 4.475 5 20 IIBD COc1cc(C(=O)NC[C@H]2CCc3ccccc32)c([N+](=O)[O-])cc1OCc1cscn1 609506603 FOBXVVPFRRVBDX-OAHLLOKOSA-N 439.493 4.099 5 20 IIBD Cc1cc(C(=O)Nc2cccc(CS(=O)(=O)c3ccc(F)cc3F)c2)ccc1[N+](=O)[O-] 609755955 ZAEVBCGPFYWBPA-UHFFFAOYSA-N 446.431 4.408 5 20 IIBD COC1CCN(C(C)(C)CNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 609774121 UTGPHNODLZXWEQ-UHFFFAOYSA-N 442.516 4.398 5 20 IIBD COc1ccc(-c2ccc(CNc3cccc(CN4CCC(O)CC4)c3)o2)c([N+](=O)[O-])c1 609851512 SXWMMRYMGNBXRN-UHFFFAOYSA-N 437.496 4.432 5 20 IIBD COc1cc(CNCc2ccc([S@@](C)=O)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 610574877 NABGJYGFESKDSD-WJOKGBTCSA-N 440.521 4.210 5 20 IIBD CC(C)COC[C@@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])c1ccco1 725789105 ATAJSMPBXUPMDM-CQSZACIVSA-N 436.408 4.307 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccccc3N3CCOC3=O)cc2[N+](=O)[O-])C1 726506400 AZGIKTHTDRUHRG-IYBDPMFKSA-N 438.484 4.286 5 20 IIBD Cc1cc(NC(=O)c2cc(Br)cnc2Cl)n(-c2ccc([N+](=O)[O-])cc2)n1 727486370 BZQRKGYGMQWWAI-UHFFFAOYSA-N 436.653 4.152 5 20 IIBD Cc1ccccc1CC(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1I 728183034 BZGRCJNXNQZHIA-UHFFFAOYSA-N 438.265 4.259 5 20 IIBD C[C@H](OC(=O)c1cc(N)ccc1Cl)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 728334763 DOSFGAIXEQNUPS-JTQLQIEISA-N 446.872 4.138 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C)C(C)C)cc1SC 728649256 IBXZUYUNLRYYJH-OHNRDTAOSA-N 438.546 4.202 5 20 IIBD Cn1ccnc1COc1ccc(COC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 728719522 GSQTYQLPFZUZMZ-UHFFFAOYSA-N 446.257 4.027 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccc(-c3nc(Cc4cccs4)no3)cc2)c1 731793377 NZOHAOBNCGCACH-UHFFFAOYSA-N 443.462 4.065 5 20 IIBD C[C@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)c1nc2ccc(Cl)cc2[nH]1 732568890 PCXZBNSPGSWEJK-LBPRGKRZSA-N 449.920 4.082 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 732575996 SFHAEHSPVMIGQS-GOSISDBHSA-N 437.924 4.500 5 20 IIBD COc1ccc(Br)c(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 735443000 NWCPSCSYORMPNP-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD Cc1c(C(=O)Nc2ccc(NC[C@H]3CCCO3)c(F)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 739818355 KKIXHPHSQTWRKX-CQSZACIVSA-N 432.408 4.102 5 20 IIBD O=C(NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1cc2ccccc2c2cccnc12 740153019 IVMVCVHBRNWNHQ-FQEVSTJZSA-N 434.879 4.276 5 20 IIBD O=C(Nc1ccc(Cl)cc1C(=O)NCC1CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 740795109 NNEKCRDKFVYMFQ-UHFFFAOYSA-N 428.876 4.215 5 20 IIBD C[C@H]1CCC[C@@H](C)N(C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 741609849 JABGLZXSKVDKJT-JKSUJKDBSA-N 432.498 4.013 5 20 IIBD COc1cc([C@H]2NC(=O)c3cc(Cl)ccc3N2)c([N+](=O)[O-])cc1OCC(F)(F)F 742671878 UFPIGMBHFUIISO-OAHLLOKOSA-N 431.754 4.052 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Cc1cn(C)c2ccccc12 743827437 COWKASQMVPZYNR-UHFFFAOYSA-N 433.468 4.116 5 20 IIBD C[C@@H](OC(=O)C1(c2cccc(F)c2)CCOCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 744856043 PVBNHNLVPURMAX-CQSZACIVSA-N 441.415 4.137 5 20 IIBD C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)OCCOc1ccccc1[N+](=O)[O-] 745228016 XEQPZKSDUAFFKZ-ZDUSSCGKSA-N 436.258 4.188 5 20 IIBD CC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 745943957 MBIUPBYQKZHMGI-MRVPVSSYSA-N 429.829 4.153 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 746260034 ANYFQIDFACRTDI-YJBOKZPZSA-N 426.366 4.481 5 20 IIBD COC(=O)c1ccc([C@@H](OC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C(F)(F)F)cc1 747214108 DAYUTDPUNQZVTP-GOSISDBHSA-N 436.342 4.183 5 20 IIBD CCSc1ccc(CC(=O)OC[C@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])cc1 752495323 OKQZZSBHEGNGKD-QGZVFWFLSA-N 428.510 4.097 5 20 IIBD CC(C)(C)c1noc(COc2ccc(OC(=O)CCc3cccc([N+](=O)[O-])c3)cc2)n1 755343532 FZLHYSITUGAXJM-UHFFFAOYSA-N 425.441 4.393 5 20 IIBD COCCN(Cc1cc(Br)cs1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] 756773382 VJYHNNUYPGGZJX-UHFFFAOYSA-N 433.711 4.361 5 20 IIBD O=C(NC[C@H](O)c1cc2ccccc2s1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 757581649 YDDUZRNPDXYRCM-IBGZPJMESA-N 425.510 4.263 5 20 IIBD CCOc1cc(NC(=O)N[C@H]2CCN(C(C)=O)c3ccccc32)c([N+](=O)[O-])cc1OCC 757788381 PFVHZIODFFNWNQ-INIZCTEOSA-N 442.472 4.012 5 20 IIBD O=C(O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1cnc(Cc2ccc(F)cc2)s1 759946067 UOIWKRKKYGPLAP-HZPDHXFCSA-N 430.461 4.318 5 20 IIBD Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 760777843 GQFWAQMMYGYYCJ-SNVBAGLBSA-N 432.776 4.433 5 20 IIBD CC(C)c1ccc(N2CC[C@H](c3nc(CCNc4ccccc4[N+](=O)[O-])no3)C2=O)cc1 761969719 OQKUHYMQTTZKCT-GOSISDBHSA-N 435.484 4.276 5 20 IIBD COc1c([N+](=O)[O-])cc(N[C@H]2CCO[C@H](C(C)(C)C)C2)c([N+](=O)[O-])c1Br 764178382 HVLKPXSHPCTFHO-CABZTGNLSA-N 432.271 4.280 5 20 IIBD O=C(OCc1csc(Cc2ccccc2)n1)c1cc(Br)ncc1[N+](=O)[O-] 769833206 NNKXCONOBRVYLV-UHFFFAOYSA-N 434.271 4.157 5 20 IIBD Cc1ccc([C@@](O)(Cc2noc(C(C)(C)c3ccc([N+](=O)[O-])cc3)n2)C(F)(F)F)o1 770898343 DXBJIQWIGHMSPD-SFHVURJKSA-N 425.363 4.198 5 20 IIBD Cc1ccccc1Cn1c(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])nc2ccccc21 771407961 YGBOHKHESCDMCG-UHFFFAOYSA-N 444.447 4.131 5 20 IIBD CON(C(=O)c1sc(Br)cc1[N+](=O)[O-])[C@H]1CCCOc2ccccc21 772389076 WDLVIADKEDVNAF-NSHDSACASA-N 427.276 4.336 5 20 IIBD COCCc1nc(C)c([C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)s1 773908833 BSYNMBXVRNPEIC-OAHLLOKOSA-N 433.530 4.457 5 20 IIBD CCC(=O)Nc1ccc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cc1 775089531 FTJFDWJVCOWOKG-UHFFFAOYSA-N 430.482 4.484 5 20 IIBD COc1c(F)cc(S(=O)(=O)Oc2c(C(C)=O)ccc(Cl)c2Cl)cc1[N+](=O)[O-] 777930957 GPECZVPOVYEALF-UHFFFAOYSA-N 438.216 4.020 5 20 IIBD O=C(Nc1ccc(Oc2nncc3ccccc23)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 779374037 ZXXHUZZHPMXINW-UHFFFAOYSA-N 431.364 4.491 5 20 IIBD O=C(COC(=O)c1csc(Cc2cccc(F)c2)n1)Nc1ccc(Cl)c([N+](=O)[O-])c1 780183935 HCJPLFXCYDKVIW-UHFFFAOYSA-N 449.847 4.230 5 20 IIBD C[C@@H]1[C@@H](NC(=O)COC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CCC[C@H]1C 781255469 DMGPFHGQQJWUGR-NQCMUKECSA-N 442.462 4.057 5 20 IIBD CC(=O)c1cc(Br)ccc1OC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781801365 SYARBYVRHPDCPX-UHFFFAOYSA-N 437.202 4.006 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)O[C@H](C)c2nc(C)no2)cc1[N+](=O)[O-] 783378893 PIAZXIVTFFZKHX-LLVKDONJSA-N 427.438 4.157 5 20 IIBD O=C(CC1CCC2(CC1)OCCO2)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] 788464833 OMSSZKKDXAMEPW-UHFFFAOYSA-N 426.469 4.436 5 20 IIBD CN(Cc1ccc(Br)c(F)c1)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790566973 BASHKUCQOACFQJ-UHFFFAOYSA-N 433.636 4.490 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)CC1 791256029 SPCSNYVLFJAFDF-PKOBYXMFSA-N 426.344 4.487 5 20 IIBD COc1ccc(OC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] 792123698 MJZDFXDXAAJUMU-OAHLLOKOSA-N 439.251 4.120 5 20 IIBD C[C@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccc(N2CCCNC2=O)cc1 794927843 FRYKJNUJSCPXJV-NSHDSACASA-N 437.283 4.312 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccco1 799236265 NSRZOODDYKDRFM-LJQANCHMSA-N 425.441 4.354 5 20 IIBD CCOC(=O)c1c(NC(=O)COc2ccc(Cl)c([N+](=O)[O-])c2)sc(C(C)=O)c1C 808056484 WRRAPBNEJZEYDI-UHFFFAOYSA-N 440.861 4.015 5 20 IIBD CC[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1Cl)[C@@H](c1ccc(C)cc1)n1cncn1 809912497 DZQIGTJSWAFTID-HNAYVOBHSA-N 428.880 4.338 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 810318147 QSLTZTJUUQZBRN-GOSISDBHSA-N 444.444 4.270 5 20 IIBD CC[C@@H]1[C@@H](C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCN1C(=O)OC(C)(C)C 810452412 NUGMEVNRJMIVHH-VQTJNVASSA-N 447.532 4.000 5 20 IIBD CCS(=O)(=O)c1cccc(CC(=O)Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])c1 810553036 CXEHPQIYJBNNDR-UHFFFAOYSA-N 425.462 4.204 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](C2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)C1 810949399 PDKYSHPIPBGOFT-AIADIJKESA-N 429.517 4.104 5 20 IIBD CC(C)(C)C(=O)N1CCC[C@H](C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 811217283 ZCMZEHANPBUKTC-HNNXBMFYSA-N 431.514 4.046 5 20 IIBD Cc1cc(OCC(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)ccc1[N+](=O)[O-] 813305436 FBAHPVBQMHZDLI-UHFFFAOYSA-N 429.410 4.057 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccc(Cl)nn1 815436543 FWNFCPPGDPZQGF-KRWDZBQOSA-N 447.234 4.228 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc1S(=O)(=O)C1CCCC1 817473720 YJOCQJUVPHKICB-UHFFFAOYSA-N 447.469 4.088 5 20 IIBD O=C(Nc1ccccc1C(=O)NC/C=C\c1cccnc1)c1ccc([N+](=O)[O-])cc1Cl 820395224 ABEHVVCIOJWAPG-XQRVVYSFSA-N 436.855 4.339 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1csc(-c2ccc(F)cc2)n1 914797980 IZLAXXRYJGEAAD-UHFFFAOYSA-N 426.385 4.264 5 20 IIBD CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2ccc(C(F)(F)F)cc2)NC(=S)N1 916192124 VWLRLOAAWDLYKO-MRXNPFEDSA-N 436.415 4.045 5 20 IIBD CCOc1cc(C(=O)Oc2ccc(NC(=O)c3ccco3)cc2)c([N+](=O)[O-])cc1OC 916957636 UVTCKFZRXNEFEG-UHFFFAOYSA-N 426.381 4.067 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1I)c1c(F)cccc1F 917260110 LHSKWEPGKDXESO-QMMMGPOBSA-N 433.148 4.396 5 20 IIBD C[C@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 917939507 SGZPPYJJMABEPE-WDEREUQCSA-N 426.351 4.200 5 20 IIBD CCN(CC)C(=O)c1ccccc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 920013078 KDUHDTHIGNZJTL-UHFFFAOYSA-N 439.390 4.270 5 20 IIBD Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)OCc3cc(F)ccc3[N+](=O)[O-])c12 920773411 ANCQAFCPTZJWSY-UHFFFAOYSA-N 447.426 4.406 5 20 IIBD COc1ccc(-c2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)o2)cc1Br 1118071795 BQMNEGZJXVVHQW-UHFFFAOYSA-N 435.190 4.300 5 20 IIBD COc1cc(Br)c(OC)c(C(=O)OCCCOc2ccc([N+](=O)[O-])cc2)c1 1119040671 HKBNCJKZVQOLNE-UHFFFAOYSA-N 440.246 4.000 5 20 IIBD Cc1ccc2nc(COc3cccc(C(=O)N4Cc5ccc([N+](=O)[O-])cc5C4)c3)cn2c1 1252191507 UJPPLNDGYYHTMB-UHFFFAOYSA-N 428.448 4.286 5 20 IIBD COc1ccc(-c2ccc(CN[C@@H]3CCCN(C(=O)c4ccccc4)C3)o2)c([N+](=O)[O-])c1 1322611248 OQTDSNWLEZNPAI-GOSISDBHSA-N 435.480 4.258 5 20 IIBD Cc1c(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cnn1C1CCCC1 1341340834 DLKXVUMGOCQUSK-IBGZPJMESA-N 428.489 4.028 5 20 IIBD O=C(CCc1ccccc1)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1 1787678958 AKIBZLYASAEWBU-UHFFFAOYSA-N 432.480 4.303 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccsc4)CCC3)cc2)ncc1[N+](=O)[O-] 1788764552 AHBICXVYQZGBAX-UHFFFAOYSA-N 436.493 4.421 5 20 IIBD COc1cc(CC(=O)Nc2ccc(C3(NC(=O)C(C)(C)F)CCC3)cc2)ccc1[N+](=O)[O-] 1790477939 JTBPZAINMLMVHZ-UHFFFAOYSA-N 443.475 4.028 5 20 IIBD Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc(F)c4[N+](=O)[O-])cc3)CCC2)cn1 1790698004 JEJRSEBUZXUBPP-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc(O)c([N+](=O)[O-])c4)CCC3)cc2)o1 1791947970 MEXXMIPHAWKGMD-UHFFFAOYSA-N 449.463 4.192 5 20 IIBD CC(C)[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C2)c1ccccc1 1793204886 NETWQDOCRJHUTC-MTQWNXOMSA-N 449.551 4.215 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cc(F)ccc1Cl 1800524088 YDDAEXLNSMVCAZ-MUJYYYPQSA-N 449.841 4.092 5 20 IIBD CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)n[nH]2)CCCC1 1821163631 UHFVGONKHJGCMZ-SFHVURJKSA-N 443.479 4.343 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@H]2CCCCN2C(=O)CCCC(F)(F)F)CC1 1824870786 HMYNAMDNXYNICO-OAHLLOKOSA-N 445.438 4.154 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC([C@H]2CCCCN2C(=O)c2ccsc2)CC1 1825797069 SNPUPCQHOUICEK-HXUWFJFHSA-N 445.516 4.343 5 20 IIBD Cc1ccc(CC(=O)N2CCCC23CN(C(=O)[C@@H](c2ccccc2)C(C)C)C3)cc1[N+](=O)[O-] 1845204511 YSIFPJWFWPTOGQ-XMMPIXPASA-N 449.551 4.089 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1Cl 9717208 QYMRTKHUKKDFOK-SNVBAGLBSA-N 441.665 4.045 5 20 IIBD Cc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 9719990 YDOBVBNEWZOFAF-QGZVFWFLSA-N 425.485 4.324 5 20 IIBD COc1cc(COC(=O)COc2ccc(Cl)c(C)c2)c([N+](=O)[O-])cc1OC(F)F 12720738 LMYSTVSDUIPCRD-UHFFFAOYSA-N 431.775 4.289 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1csc(-c2ccc(F)cc2)n1 19616536 DAGRMOYOYRFKKW-LLVKDONJSA-N 445.428 4.050 5 20 IIBD CCC(C)(C)NC(=O)[C@@H](C)OC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 22670023 PNCTXJYTDSIUKC-CYBMUJFWSA-N 446.887 4.329 5 20 IIBD COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 24079887 BBCULWLKGLCLBZ-JOCHJYFZSA-N 435.436 4.392 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccccc1[N+](=O)[O-] 24483002 CDNYDMBKVMUQJQ-KSSFIOAISA-N 434.876 4.215 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCc2cccnc2Oc2cccc(F)c2)c1C 32437824 KMCRQDZTWDMNQM-UHFFFAOYSA-N 431.445 4.017 5 20 IIBD Cc1c(NC(=O)C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCC2)cccc1[N+](=O)[O-] 63226739 LAQVLQUZHBQLKG-UHFFFAOYSA-N 449.429 4.489 5 20 IIBD COc1ccc2[nH]cc(C3CCN(c4ccc([N+](=O)[O-])cc4N4CCOC4=O)CC3)c2c1 301381443 UQLITYPJZJLMDN-UHFFFAOYSA-N 436.468 4.425 5 20 IIBD Cc1ccc(NC(=O)NC[C@@H]2CCCN(c3ncc(Br)cc3[N+](=O)[O-])C2)cc1 301686641 LZNYAGILHRYRCR-AWEZNQCLSA-N 448.321 4.099 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@@H]3C3CCC3)cc2)cc1[N+](=O)[O-] 303183243 LCGOKMUGTABYGJ-HXUWFJFHSA-N 443.525 4.109 5 20 IIBD O=C(Nc1cccc(NC2CCCC2)c1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303703182 OJPHZYZBMUGEBO-QGZVFWFLSA-N 428.514 4.254 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC(c2c[nH]c3ncccc23)CC1 410055043 OQKVXRMIRHBDID-UHFFFAOYSA-N 433.512 4.094 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc(Br)c1F 432361042 XIQBRTJSMJSGHA-UHFFFAOYSA-N 431.601 4.189 5 20 IIBD COc1ccc(NC(=O)N(Cc2ccc(Cl)cc2)Cc2cnn(C)c2)cc1[N+](=O)[O-] 432424372 OMTLBZDFZRTZJD-UHFFFAOYSA-N 429.864 4.225 5 20 IIBD CCCN(C(=O)c1ccccc1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)C 433596109 MHQSKQCFLVUOLQ-UHFFFAOYSA-N 439.921 4.310 5 20 IIBD CCCc1ccc([C@@H](NC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)C(C)C)cc1 435642802 YHLXSLVDLQRXEJ-QHCPKHFHSA-N 437.496 4.328 5 20 IIBD COc1cccc([C@H](CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)N2CCCC2)c1 435828560 SRKVLJLJZHZFKR-VWLOTQADSA-N 441.531 4.257 5 20 IIBD CC[C@@H](C)c1ccc(N(Cc2cncn2C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 439561244 MNHAZXDKTSDSJV-MRXNPFEDSA-N 428.514 4.237 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](c2nc3ccc(F)cc3o2)C1 443642193 NNGIZWYNPIFZKH-HNNXBMFYSA-N 426.448 4.392 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2Cc2nc([C@@H]3CCCOC3)no2)cc1 445521353 PVUFFNKYQNHVPM-QGZVFWFLSA-N 431.452 4.315 5 20 IIBD COc1cc(-c2nc(Cc3cnccn3)no2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 445676422 PESWHOIAGXVWHS-UHFFFAOYSA-N 439.815 4.480 5 20 IIBD COC(=O)c1cc2cc(NC(=O)c3sc(Br)cc3[N+](=O)[O-])ccc2o1 446023452 DVONCDCOVNGSOU-UHFFFAOYSA-N 425.216 4.204 5 20 IIBD CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 446703475 XFSFRBSHBUIMLA-AWEZNQCLSA-N 433.892 4.034 5 20 IIBD C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[C@H](OC1CCOCC1)c1ccccc1 446881035 MBIIEFPWEODJHL-CMJOXMDJSA-N 425.485 4.217 5 20 IIBD C[C@@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 446956778 JVEDPQZWAABCJM-ZDUSSCGKSA-N 439.331 4.347 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCO[C@@]2(CCc3ccccc32)C1 447685271 JNZFDGYSASRDGX-KRWDZBQOSA-N 429.345 4.322 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Sc1ccc(Cl)c(Cl)c1 463079371 ZTEKOBMDVLLLAF-UHFFFAOYSA-N 449.337 4.074 5 20 IIBD Cc1csc(-c2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc34)c2)n1 463518459 MQMRHBBGVMNGEG-UHFFFAOYSA-N 426.479 4.376 5 20 IIBD Cc1nc(-c2ccccc2)sc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 463783865 ATHKAQHJLOHQME-UHFFFAOYSA-N 426.479 4.376 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 466280715 MFYIEWQGGJECRF-NDXORKPFSA-N 441.915 4.338 5 20 IIBD Cc1c(NC(=O)[C@H](C)Nc2ccc(Cc3nnc4n3CCCCC4)cc2)cccc1[N+](=O)[O-] 466992093 NTJRGQBPYUPFGR-KRWDZBQOSA-N 448.527 4.251 5 20 IIBD Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)N=c1cc[nH]cc1[N+](=O)[O-] 467448785 NEXUUJJSVFHVLE-UHFFFAOYSA-N 425.832 4.270 5 20 IIBD Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 470524573 XCHJKWPZEJLRRE-UHFFFAOYSA-N 435.440 4.126 5 20 IIBD CCC[C@H](C)N(C(=O)Cc1ccc([N+](=O)[O-])cc1F)c1nc(C)c(C(=O)OCC)s1 479023430 MVELLMVPADZLID-LBPRGKRZSA-N 437.493 4.440 5 20 IIBD COc1ccc(CNCc2cc(Br)ccc2Br)cc1[N+](=O)[O-] 479619858 ZKWKXFGRYAZZAF-UHFFFAOYSA-N 430.096 4.418 5 20 IIBD COC(=O)c1cc(NC(=O)Nc2cc(Br)cc(OC)c2)c(C)c([N+](=O)[O-])c1 486856936 JVWFIWXPKXCVNT-UHFFFAOYSA-N 438.234 4.105 5 20 IIBD Cc1cc(Sc2ncccn2)ccc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 487011140 MNBNGQDAVIYBDG-UHFFFAOYSA-N 432.465 4.282 5 20 IIBD Cc1ccc(Oc2ccc(OCC(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)cc2)cc1 487026904 XOHQYEFKGZASOZ-UHFFFAOYSA-N 436.468 4.135 5 20 IIBD O=C(NCCc1cccc(C(F)(F)F)n1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 489248715 MTOCLTYGGGEGNG-UHFFFAOYSA-N 429.373 4.207 5 20 IIBD CCOc1ccccc1N1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 497245741 GUANAAYJNSMFOU-UHFFFAOYSA-N 438.509 4.079 5 20 IIBD O=C(CCN(CCCO)Cc1ccc(Cl)c(Cl)c1)Nc1ccccc1[N+](=O)[O-] 500103839 LTTYHUDFGMVNPK-UHFFFAOYSA-N 426.300 4.115 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)NCc3ncnn3C(C)(C)C)cc2[N+](=O)[O-])cc1 501202264 UPUIXLKIGWYXAJ-UHFFFAOYSA-N 425.514 4.331 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl 502016479 ZSNHVAVQAYGXAB-ZDUSSCGKSA-N 438.311 4.457 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccn(CCc4ccncc4)n3)cc2[N+](=O)[O-])C1 503357987 TYPNAIZTDQTUCN-QZTJIDSGSA-N 448.527 4.164 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2ccn(CC(=O)N(C)C)c2c1 503416311 APBXHTUTINKDRJ-UHFFFAOYSA-N 440.525 4.392 5 20 IIBD COc1cccc(Nc2nnc(Sc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)s2)c1 506816658 LDQFSRLNYYKZQY-UHFFFAOYSA-N 429.483 4.234 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCCN(CC3CCC3)CC2)cc1[N+](=O)[O-])c1ccccn1 508041704 MHJWDTIBONRYQY-GOSISDBHSA-N 437.544 4.111 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 511236274 RLLWQLZCKFYCIU-CQSZACIVSA-N 433.745 4.136 5 20 IIBD COc1cc(C(=O)N(Cc2ccccc2)C2CC2)c([N+](=O)[O-])cc1OCc1cscn1 512662965 DGCBJJHCCGJUEC-UHFFFAOYSA-N 439.493 4.444 5 20 IIBD CN(C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccccc1Oc1ccccc1 513556200 DVELAMHNKCSUGL-UHFFFAOYSA-N 426.450 4.067 5 20 IIBD O=C(Nc1cccc(-c2cccs2)c1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 513970793 XMZUXBIGKPRWOL-UHFFFAOYSA-N 442.522 4.375 5 20 IIBD O=C(Nc1ccnn1Cc1ccc(Cl)c(F)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 518229501 ITGYHMWENZKYOB-UHFFFAOYSA-N 440.822 4.070 5 20 IIBD CCN1CC[C@@H](N(C)C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)C[C@H]1C 519038485 FGRUUOXEHAQMDY-GDBMZVCRSA-N 434.587 4.456 5 20 IIBD CCOc1cc(C(=O)N[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)c([N+](=O)[O-])cc1OC 519069989 DNCWJTJUFBQIQX-CYBMUJFWSA-N 442.447 4.126 5 20 IIBD Cc1csc(-c2cccc(NC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)c2)n1 522578534 OCQFUSCSLNRYIQ-UHFFFAOYSA-N 438.465 4.354 5 20 IIBD CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 522885861 XSCWFXQOEFCIRT-BTYIYWSLSA-N 431.920 4.357 5 20 IIBD Cc1ccc(Br)cc1NC(=O)CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 523506461 SZTVGQBZFJKOJF-UHFFFAOYSA-N 448.317 4.088 5 20 IIBD COc1cc(CN(C)C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])ccc1SC 524807155 KZZATYSKAAXZFK-UHFFFAOYSA-N 432.546 4.277 5 20 IIBD CC(C)c1ccc(OC2CCN(C(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CC2)cc1 525802646 ZLXHFNFJSTWVHK-UHFFFAOYSA-N 440.496 4.102 5 20 IIBD O=C(CN1CCO[C@@H](c2ccc(F)c(Cl)c2)C1)Nc1ccc([N+](=O)[O-])cc1Cl 532545158 SZRVVFGKNNLNNE-QGZVFWFLSA-N 428.247 4.053 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC(C(=O)NCc2ccc(F)cc2)CC1 532655387 NHBWJABTQHJDIK-UHFFFAOYSA-N 429.492 4.050 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCC[C@H]2CC(=O)c2cnn(C)c2)cc1[N+](=O)[O-] 534923378 LXSLMEGNBZWXMD-SFHVURJKSA-N 444.557 4.344 5 20 IIBD COc1cc(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)ccc1OCCC(C)C 535364982 WCAUNYYQYJWXMM-UHFFFAOYSA-N 425.485 4.369 5 20 IIBD COc1ccc(Br)cc1[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 535506698 FXKRPTPWIAMYAS-AREMUKBSSA-N 437.271 4.329 5 20 IIBD Cc1sc(NC(=O)C[S@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c(C)c1C 535511208 PLIVXAUARSIXOL-GDLZYMKVSA-N 433.511 4.124 5 20 IIBD COC(=O)[C@@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1ccc2ccccc2c1 538368075 VYGSWYLYSOBNCQ-QFIPXVFZSA-N 441.443 4.454 5 20 IIBD Cc1ccc([C@@H](C)NCc2noc(Cc3ccc(Br)cc3)n2)cc1[N+](=O)[O-] 539378468 BTUSQXMLSGFDIT-CYBMUJFWSA-N 431.290 4.490 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC1(N[C@H](C)c2ccccc2)CCOCC1 539843643 INKTXPVQKRIXKO-LJQANCHMSA-N 425.529 4.150 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 540239350 HFFYJWWAVKTHFY-BBATYDOGSA-N 432.274 4.345 5 20 IIBD O=C(c1ccco1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 542610747 IUDKSGOKZMRANW-UHFFFAOYSA-N 443.525 4.068 5 20 IIBD O=C(NCc1ccnc(-n2cccn2)c1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 544507760 JPNQLDPMZILVMB-UHFFFAOYSA-N 437.525 4.388 5 20 IIBD O=C1CCCN1Cc1cccc(-c2noc(-c3ccc([N+](=O)[O-])cc3Br)n2)c1 545726150 FFZSPLZTTUFFIQ-UHFFFAOYSA-N 443.257 4.197 5 20 IIBD COc1ccc([N+](=O)[O-])cc1OC[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 550177426 YVLCDIWTWWQNIH-HXUWFJFHSA-N 445.418 4.428 5 20 IIBD O=c1c(Cl)c(N[C@@H]2CCCOc3ccc(F)cc32)cnn1-c1ccc([N+](=O)[O-])cc1 555204380 ONSRFMGEJVQLHB-MRXNPFEDSA-N 430.823 4.259 5 20 IIBD CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br 557762613 XUKHAIJVNZMFHH-NIKGAXFTSA-N 433.302 4.438 5 20 IIBD COc1cc(CN2CC[C@]3(CCCN(C)C3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 560595567 KOMIZFADNIANSX-DEOSSOPVSA-N 425.529 4.100 5 20 IIBD C[C@@H](NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(-c2cccnc2)cc1 561742227 FDIFOKIPDSYPCT-QGZVFWFLSA-N 444.491 4.025 5 20 IIBD Cc1c(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cnn1-c1ccc(Cl)cc1 564179474 HMKJGEMCQIDLLX-UHFFFAOYSA-N 427.848 4.037 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(N(C(C)=O)[C@H]3C[C@H]3C)cc2)cc1OC 573128745 NHLIBMDLMVGRJW-ACJLOTCBSA-N 427.457 4.016 5 20 IIBD CC(C)COc1ncccc1-c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 573882207 IMYSVTVVOPEJRQ-UHFFFAOYSA-N 433.262 4.428 5 20 IIBD C[C@H](C(=O)Nc1ccnn1Cc1ccccc1Br)c1cccc([N+](=O)[O-])c1 582337910 ZMLHVQKKWXSWOY-ZDUSSCGKSA-N 429.274 4.344 5 20 IIBD Cc1ccc(-n2ccnc2)c(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)c1 584555818 XWVKSSSRZSDJDL-UHFFFAOYSA-N 440.257 4.492 5 20 IIBD CNc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] 603575564 CQLYTXLGFKFJEM-INIZCTEOSA-N 437.283 4.187 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])Nc1nc2c(s1)CCN(Cc1ccccc1)C2 603672747 WUJDAMMBTLNHDS-UHFFFAOYSA-N 440.550 4.340 5 20 IIBD COC(=O)[C@@H](C)NC(=O)c1ccc(NCC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 603838313 DGJOYABUJRKQHJ-QGZVFWFLSA-N 447.491 4.130 5 20 IIBD COc1cc(C(=O)N[C@H]2CCN3CCC[C@@H]3C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 603919702 WSVVOAOEDQYNOH-DLBZAZTESA-N 445.903 4.406 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1 603984032 UZKZUMFWASBWIS-UHFFFAOYSA-N 447.426 4.036 5 20 IIBD CCOc1ccc(NC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cc1F 604087372 GEDMPGYZGGFFCV-KRWDZBQOSA-N 433.436 4.337 5 20 IIBD Cn1cc(C(=O)Nc2ccnc(Sc3ccccn3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 608807057 LJCVLLZSWKGAIB-UHFFFAOYSA-N 432.465 4.189 5 20 IIBD O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)Nc1ccc(CCCc2ccccc2)cc1 608821274 RPBRVWVWGQDZFL-UHFFFAOYSA-N 446.507 4.208 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 608880038 PDYKYQZHWFYLGY-KUHUBIRLSA-N 449.429 4.486 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 609296210 HZNISFZPXWOMEL-UHFFFAOYSA-N 430.936 4.302 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 609433106 ULYPJPWLPUWJPG-UHFFFAOYSA-N 437.327 4.365 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NC[C@@H]2OCCc3ccccc32)cc1[N+](=O)[O-])c1ccccn1 609580589 FGYNCTSNNGAUHF-MWTRTKDXSA-N 432.480 4.207 5 20 IIBD CC(=O)N(c1nc(Cn2cc([N+](=O)[O-])cc(Cl)c2=O)cs1)c1ccc(C)cc1C 609905246 AKECTKRITLFSKF-UHFFFAOYSA-N 432.889 4.216 5 20 IIBD CC[C@@H](C)[C@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 609992892 BAPAMYRGDPEYCR-IIBYNOLFSA-N 445.541 4.436 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCc2ccc(Br)cc21 610045312 RWWRFECQKWSXEX-UHFFFAOYSA-N 426.064 4.323 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC(n2c(O)nc3ccccc32)CC1 610101516 UZJLJMDSFQPZNX-UHFFFAOYSA-N 437.500 4.020 5 20 IIBD NC(=O)c1cc([N+](=O)[O-])cn(Cc2ccc(Oc3cccc(Cl)c3Cl)cc2)c1=O 610167452 VNJPXIFGEOXSLW-UHFFFAOYSA-N 434.235 4.003 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3C4CCCC3CCC4)cc2)cc1[N+](=O)[O-] 610243590 PNMUGJWRDAFFFQ-UHFFFAOYSA-N 443.525 4.251 5 20 IIBD CS(=O)(=O)c1ccc(Sc2ccccc2C(=O)NCc2cccc([N+](=O)[O-])c2)cc1 610291381 LLGJVSGTHZOBLQ-UHFFFAOYSA-N 442.518 4.080 5 20 IIBD COc1ccc(CNc2ccc(CNC(C)=O)cc2)cc1OCc1ccc([N+](=O)[O-])cc1 610910806 HUOHCAQGXKHSJH-UHFFFAOYSA-N 435.480 4.431 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)NC3CCN([C@@H]4CCOC4)CC3)cc2[N+](=O)[O-])cc1 610913293 QGWBEJYKVMIHDY-LJQANCHMSA-N 441.553 4.038 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC[C@H](C(C)(C)C(=O)O)C3)cc2[N+](=O)[O-])C1 611478427 BBDYUUWSOBAYHC-JZXOWHBKSA-N 431.533 4.040 5 20 IIBD CCc1ccc(C(=O)N2CCOC[C@H]2c2c(C)nn(-c3ccccc3)c2C)cc1[N+](=O)[O-] 611529742 FALWQWOOXCESIC-QFIPXVFZSA-N 434.496 4.173 5 20 IIBD COc1ccccc1-c1c[nH]cc1C(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 726054805 WWWAXXTZMIDUFG-UHFFFAOYSA-N 429.816 4.047 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(CC[C@H](O)c2ccccc2)c1 727361021 AEXUUDALOZUZBA-NRFANRHFSA-N 426.494 4.370 5 20 IIBD COc1ccc(-c2ccc(CNC[C@@](O)(c3ccccc3)C(F)(F)F)o2)c([N+](=O)[O-])c1 727837136 LECUINOBTANTSJ-HXUWFJFHSA-N 436.386 4.403 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H](OC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 727962960 YUZQLYYSKCWWDW-HNNXBMFYSA-N 433.486 4.275 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2ccc(C)cc2Cl)cc1SC 728651302 SCTRPEXTASJFDF-NSHDSACASA-N 438.889 4.471 5 20 IIBD O=C(CC1CCC(c2ccccc2)CC1)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 731138795 GLCMNAMVUVYXFW-UHFFFAOYSA-N 436.917 4.417 5 20 IIBD C[C@@H]1CCC[C@@H](OCC(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 733020163 FFYGRDIHLHPEQX-YRGRVCCFSA-N 432.395 4.079 5 20 IIBD O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc(-c2ccccc2F)o1 735340350 XVMMGMLORVTCPK-UHFFFAOYSA-N 426.356 4.149 5 20 IIBD C[C@@H](OC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)C(=O)Nc1ccc2ccccc2c1 735354044 FYHSFQXAWRMRCY-CYBMUJFWSA-N 431.404 4.186 5 20 IIBD CC(C)C[C@H](O)CNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 735587419 VCQKTKGFRHHZDZ-HNNXBMFYSA-N 439.871 4.386 5 20 IIBD C[C@H](OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(=O)Nc1ccc(Br)cc1 736867075 RTXMYSONJHXQBM-VIFPVBQESA-N 427.638 4.195 5 20 IIBD C[C@@H](OC(=O)c1cccc(Oc2cnccn2)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 736925204 RRKQCGOHBBPMHU-GFCCVEGCSA-N 442.815 4.015 5 20 IIBD Cc1ccccc1[C@H]1C[C@H](C)N(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)C1 737414492 JVULVSWCZDGWBP-ROUUACIJSA-N 429.542 4.070 5 20 IIBD COc1cc(N2CCC(OC(=O)COc3ccc(Cl)cc3C)CC2)ccc1[N+](=O)[O-] 739385361 OIRUMMKFHJOLAG-UHFFFAOYSA-N 434.876 4.156 5 20 IIBD Cc1cc(C)n(-c2ccc(CC(=O)OCc3ccc([N+](=O)[O-])cc3Br)cc2)n1 739578161 KETXHCBUHIFCMK-UHFFFAOYSA-N 444.285 4.446 5 20 IIBD O=C(NC[C@@H](O)c1ccccc1Cl)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 740932113 BXWHXXFOIYNBJA-OAQYLSRUSA-N 425.872 4.324 5 20 IIBD COc1ccc(Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)cc1SC(F)(F)F 741853394 TYZHXSHXGQJGTA-UHFFFAOYSA-N 437.399 4.487 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)c1 743838424 VDLOQWKKSQKSTN-ZDUSSCGKSA-N 430.848 4.253 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)OCc1ncc(-c2ccc(Br)cc2)o1 744692221 CDEAQMFVGYNRGL-UHFFFAOYSA-N 433.214 4.135 5 20 IIBD CNC(=O)Cn1cc(NC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)cn1 746135894 WXYCNZKRCSCOOA-UHFFFAOYSA-N 438.487 4.128 5 20 IIBD C[C@@H]1CN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)cc2)C[C@@H](C)O1 747397687 NAEFXBJYJKIWKB-QZTJIDSGSA-N 438.528 4.451 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1C[C@@H]1c1ccc(Br)cc1 748908977 FHNFJRQAAGQHJF-IAGOWNOFSA-N 434.242 4.071 5 20 IIBD O=C(Nc1cc(F)c(I)c(F)c1)c1ccc(Cl)c([N+](=O)[O-])c1 749149539 GTSBMTYKLULTOV-UHFFFAOYSA-N 438.555 4.383 5 20 IIBD CCCCn1c(SC[C@@H](O)c2cccc([N+](=O)[O-])c2)nnc1-c1ccc(OC)cc1 749637551 BBCUJANEPZVXSZ-LJQANCHMSA-N 428.514 4.488 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 750114247 FNOOLWRELHTMID-CYBMUJFWSA-N 439.449 4.093 5 20 IIBD COc1cc(C(=O)OCc2cccc(NC(=O)c3ccccc3)c2)c([N+](=O)[O-])cc1OC 750429535 FSGCENAEQGFFBC-UHFFFAOYSA-N 436.420 4.221 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 751470427 CCASSBFYJROQTL-SFHVURJKSA-N 430.505 4.348 5 20 IIBD C[C@@H](OC(=O)c1c(F)ccc([N+](=O)[O-])c1F)C(=O)NC(c1ccccc1)c1ccccc1 752564655 GGOBLUYBVNBIPE-CQSZACIVSA-N 440.402 4.324 5 20 IIBD O=C(O)[C@H](Cc1ccccc1[N+](=O)[O-])NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 756359681 DJTUZJBPPXQGHY-KRWDZBQOSA-N 427.438 4.017 5 20 IIBD COc1ccc(CSCC(=O)N[C@H]2CC3(CCC3)Oc3ccccc32)cc1[N+](=O)[O-] 757811594 BNUPZVJUCJMUHB-KRWDZBQOSA-N 428.510 4.399 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 758620006 PLXYVYKAFXPXSO-YJBOKZPZSA-N 442.896 4.237 5 20 IIBD COc1ccc(CC(=O)N2CCC[C@@H]2c2c(C)nn(CC(C)C)c2Cl)cc1[N+](=O)[O-] 760028886 QQPWUVNXGWHVNE-MRXNPFEDSA-N 434.924 4.324 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1cc(F)c(F)cc1I 760499034 GMPFPBDYFXHKJN-UHFFFAOYSA-N 438.555 4.383 5 20 IIBD Cc1nn(C)c(C)c1[C@@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(F)(F)F 760783034 XQIQCHKVNIVACA-JOCHJYFZSA-N 443.425 4.352 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](CCc1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1)c1ccccc1 761257033 QBJROECOGQXCAW-KRWDZBQOSA-N 439.472 4.426 5 20 IIBD COc1cc(Br)ccc1-c1noc(CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 762308434 MKGXLLDJPTUWCO-UHFFFAOYSA-N 449.217 4.109 5 20 IIBD O=C(Nc1ccc(CC[C@H](O)c2ccccc2)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 763004826 WIMOCCZIQSFSBV-NRFANRHFSA-N 434.448 4.285 5 20 IIBD C[C@H]1[C@@H](C(F)(F)F)OC(=O)N1c1ncccc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 764308240 ZLHDIDTWAJRNDA-SDBXPKJASA-N 444.753 4.172 5 20 IIBD C[C@@H](c1ccsc1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 765322186 NKGIVDPTVJUWRK-KRWDZBQOSA-N 428.558 4.166 5 20 IIBD Cc1ccc(Cc2nc(C(=O)O[C@@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)cs2)cc1 768802367 RJYDOHZBFKEWML-ZWKOTPCHSA-N 426.498 4.488 5 20 IIBD Cc1ccc(CNC(=O)C2CCN(Cc3ccc(Br)c([N+](=O)[O-])c3)CC2)cc1 769191601 CIZVQBYANFKBIB-UHFFFAOYSA-N 446.345 4.194 5 20 IIBD C[C@H](OC(=O)c1ccc(Br)c(Cl)c1F)C(=O)Nc1ccccc1[N+](=O)[O-] 769524232 AABZQBJIDQSMAS-QMMMGPOBSA-N 445.628 4.334 5 20 IIBD C[C@H](OC(=O)c1cc(Br)ncc1[N+](=O)[O-])c1ccccc1Br 769825385 ITODMLIKNNKBAH-QMMMGPOBSA-N 430.052 4.433 5 20 IIBD CC(C)Oc1ccc([C@@H](O)CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 771767861 LFDQNEBDPZXUEM-KRWDZBQOSA-N 427.379 4.256 5 20 IIBD Cn1cnnc1COC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 771896317 NVYHQJQQSLBBBQ-GDNBJRDFSA-N 435.465 4.007 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 772950811 FWDKAAJZOVSMGT-UHFFFAOYSA-N 430.910 4.333 5 20 IIBD CC(C)(C)OC(=O)N1CCc2ncc(NC(=S)Nc3ccc([N+](=O)[O-])cc3)cc2C1 773176757 HWOUYZUOAJHDHK-UHFFFAOYSA-N 429.502 4.092 5 20 IIBD CC(C)(C)C(=O)NCCCC(=O)O[C@H](c1ccc(Br)cc1)C(C)(C)[N+](=O)[O-] 774373820 QNYJNCMWMAPSPC-MRXNPFEDSA-N 443.338 4.031 5 20 IIBD CC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cc1 775088114 AGHPSZUBIZHEFM-ZDUSSCGKSA-N 430.482 4.482 5 20 IIBD O=C(Nc1nnc(-c2cccc(Cl)c2)s1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 775820965 ZAHVNZSWRHRVES-UHFFFAOYSA-N 444.904 4.121 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2cc(C)n(-c3cccc(Cl)c3)n2)cccc1[N+](=O)[O-] 777154199 HRHGYFIHJQWUKD-AWEZNQCLSA-N 442.859 4.235 5 20 IIBD O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H]1COC(=O)C1(c2ccc(F)cc2F)CCC1 777319158 YXGZEBKAHKMITE-INIZCTEOSA-N 444.434 4.143 5 20 IIBD O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)cc1 778225388 WUSRJSRHJGFYOJ-UHFFFAOYSA-N 434.437 4.496 5 20 IIBD CCN(Cc1cccc(F)c1)C(=O)COC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 781260407 NCLRGKDFUQFXRE-UHFFFAOYSA-N 432.451 4.026 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc(OC)c1C(C)C 781297827 JKOYUJLBFGIYEY-LBPRGKRZSA-N 434.420 4.059 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2Cc3ccccc3OC[C@H]2C)c1=S 782289875 MWHINAXVWVYGTO-OAHLLOKOSA-N 425.514 4.250 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)Cc1ccc([N+](=O)[O-])cc1Cl 785951870 AVDFPQLWEFOTFP-LLVKDONJSA-N 441.267 4.332 5 20 IIBD COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(OCC2CC2)c1 788208290 ARSBJFXGGPSIRU-LBPRGKRZSA-N 448.859 4.230 5 20 IIBD Cc1cnc(COC(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c(C)c1[N+](=O)[O-] 789441062 BKOHMSZKPFKSHK-QGZVFWFLSA-N 429.473 4.306 5 20 IIBD O=C(c1cnc(-c2cccnc2)s1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791173141 AOACHUHEAIEGKR-UHFFFAOYSA-N 445.298 4.074 5 20 IIBD COc1ccc([C@H](O)C2CCN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC2)cc1 794460237 XHRMNNRYJQVTBR-IBGZPJMESA-N 439.295 4.496 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)c(Br)c1 794591406 ZEQRKSCSPRLCHB-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD CC(C)(C(=O)N(c1ccc(O)cc1)S(=O)(=O)c1ccccc1)c1ccccc1[N+](=O)[O-] 796809325 ZPIYHIDGNJNXAA-UHFFFAOYSA-N 440.477 4.000 5 20 IIBD O=C(NC[C@@H]1CCCN1C1CCCCC1)c1cc(F)cc([N+](=O)[O-])c1Br 798073577 LYEKFMIOWSWWEH-AWEZNQCLSA-N 428.302 4.023 5 20 IIBD CC(C)N(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1ccc(CC(=O)N(C)C)cc1 799450547 AXNBDDPTZSROQO-UHFFFAOYSA-N 435.883 4.002 5 20 IIBD Cc1nc(-c2ccc(C(=O)OCC3CCN(c4ncccc4[N+](=O)[O-])CC3)cc2)cs1 799605579 FTSDLWKDOKVQSG-UHFFFAOYSA-N 438.509 4.495 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCOc2ccc(Br)cc2C1 801650275 ODRIOJHZVXTTTI-UHFFFAOYSA-N 426.654 4.437 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 802346168 BHHDNQDQQPDAPO-LJQANCHMSA-N 446.511 4.365 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)c1nccn1-c1ccccc1 803072282 HVONKUNVXSSBOE-HNNXBMFYSA-N 427.482 4.437 5 20 IIBD Cc1nc(-c2ccncc2)nc(N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c1C 804702646 BXIRSSXZDUSTEI-UHFFFAOYSA-N 440.301 4.389 5 20 IIBD COc1cc(CN2CCC([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c([N+](=O)[O-])cc1OC 811517311 NYHNAVJWRVJDKN-KRWDZBQOSA-N 449.548 4.081 5 20 IIBD CCOC(=O)C[C@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1cccc(OC)c1 812919223 JKGBQSPEJWBKFU-INIZCTEOSA-N 441.267 4.335 5 20 IIBD CC(=O)N(c1ccc(Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])cc1)[C@H]1C[C@@H]1C 814943429 GANHJHUHTFWGMI-GTNSWQLSSA-N 439.440 4.096 5 20 IIBD O=C(CSc1ncnc2sccc12)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F 815181922 DELWVBSQHCJRFD-UHFFFAOYSA-N 429.401 4.454 5 20 IIBD C[C@@H](c1ccc(F)cc1)N1CC[C@@H](OC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C1=O 815235136 QDEXQZNMWNECMF-MEDUHNTESA-N 440.349 4.272 5 20 IIBD COc1cccc(NC(=O)c2ccccc2NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 902825751 BAONOXAFLUCWKC-UHFFFAOYSA-N 436.380 4.016 5 20 IIBD CCN(Cc1cccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1)C(=O)C(F)(F)F 915043497 PXONEJYRDJMBKA-UHFFFAOYSA-N 441.431 4.236 5 20 IIBD COc1cc([C@H](C)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccncc1 916493392 QPXDAUMZLAFBGC-HQWZXOHUSA-N 433.464 4.468 5 20 IIBD O=C(OCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)c1csc([N+](=O)[O-])c1 917282869 LDMIBXHMHBQZIP-CYBMUJFWSA-N 447.519 4.314 5 20 IIBD O=C(Nc1cc(N2CCCC2=O)ccc1F)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 917797033 YZGUXGOUWIBFIM-UHFFFAOYSA-N 441.337 4.054 5 20 IIBD COc1cc(C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)ccn1 1317952339 SHSQNXXYMYXGJB-IBGZPJMESA-N 441.827 4.189 5 20 IIBD COc1ccc(-c2nnc([C@@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)o2)cc1Br 1323015047 ZSDIDQHGDOWAMR-INIZCTEOSA-N 445.229 4.282 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCO[C@H](c2ccc(Cl)s2)C1 1331289248 QQLOAVXBSSWLQA-LBPRGKRZSA-N 431.695 4.286 5 20 IIBD O=C(Nc1nc(-c2cccs2)ns1)c1cc(F)cc([N+](=O)[O-])c1Br 1347758038 MZUUHXNHMMEHLH-UHFFFAOYSA-N 429.252 4.329 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3cccc4nc[nH]c34)CCC2)cc1)c1ccc([N+](=O)[O-])o1 1785748852 LTYREBHCVVTPIA-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD Cc1ncoc1C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3F)CCC2)cc1 1787477991 QAIRGHLBYRQNTN-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ncoc4C)cc3)CCC2)cc1[N+](=O)[O-] 1789893136 NSAYOFZLFHOGPB-UHFFFAOYSA-N 448.479 4.190 5 20 IIBD O=C(c1cccc(Cl)c1)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823613645 HGUURIBSYGEUBL-GOSISDBHSA-N 445.903 4.388 5 20 IIBD O=C(/C=C/C1CC1)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1832899450 BVAOAQPUHYPRPD-WJQKJCNPSA-N 437.540 4.194 5 20 IIBD CCC[C@H]1CC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1847996301 VVLDWKBKSXNWGY-HMNCIZAVSA-N 441.572 4.336 5 20 IIBD O=C(COC(=O)c1ccccc1NCc1ccco1)Nc1ccc(Cl)c([N+](=O)[O-])c1 9023285 UKPHQWGSJGDEIE-UHFFFAOYSA-N 429.816 4.249 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(NCCc2ccccc2)s1 10773290 AROIUUYDWBLLTD-UHFFFAOYSA-N 429.527 4.140 5 20 IIBD CSc1ccc(NC(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 12037814 SZMSNTINWGFTNO-UHFFFAOYSA-N 444.490 4.337 5 20 IIBD CCNc1nc(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)nc2ccccc12 16397305 CKMAHPZJQPITCR-GFCCVEGCSA-N 427.486 4.098 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)cs2)c1 18231752 CQZLHLXIFKKFNZ-UHFFFAOYSA-N 448.551 4.390 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1OC 18969336 ZSDUYECZDWASGQ-CQSZACIVSA-N 444.484 4.484 5 20 IIBD C[C@@H](NC(=O)COC(=O)CSc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 25052935 MJHQRQRKCCVSAW-LLVKDONJSA-N 443.308 4.414 5 20 IIBD O=C(CCSc1nnc(NCCc2ccccc2)s1)Nc1ccccc1[N+](=O)[O-] 26415546 ZONUBRDSZOGONR-UHFFFAOYSA-N 429.527 4.222 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC(c2nc3ccccc3[nH]2)CC1 27999085 WSKKRKQRMZPXQH-UHFFFAOYSA-N 433.512 4.094 5 20 IIBD O=c1nc[nH]c2cc(NCc3cn(-c4ccccc4)nc3-c3ccccc3)c([N+](=O)[O-])cc12 29187366 GGZOTVZGUVVCBV-UHFFFAOYSA-N 438.447 4.296 5 20 IIBD O=C(CN1CCCCCC1)Nc1ccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1 58369253 VRURHGXQARXFHA-UHFFFAOYSA-N 435.484 4.143 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1cnn(-c2ccccc2F)c1 58645881 BMCIUXGJXSROST-UHFFFAOYSA-N 430.395 4.403 5 20 IIBD COc1ccc(C(NC(=O)CCNc2ccccc2[N+](=O)[O-])c2ccc(OC)cc2)cc1 106159550 LQDASCWRHVNOEQ-UHFFFAOYSA-N 435.480 4.320 5 20 IIBD CS(=O)(=O)c1cc(C(=O)N(Cc2cccs2)c2ccc(F)cc2)cc([N+](=O)[O-])c1 109032608 DHXDJXOIDMARPP-UHFFFAOYSA-N 434.470 4.046 5 20 IIBD CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nnc1-c1ccc(F)cc1 216422554 LZCRFGLZDHREOI-UHFFFAOYSA-N 435.868 4.397 5 20 IIBD Cc1cc(C)n(-c2ccc([C@H](C)Nc3c([N+](=O)[O-])cc(CO)c(C)c3[N+](=O)[O-])cc2)n1 301734169 GJVIQOGJSSQQRQ-HNNXBMFYSA-N 425.445 4.279 5 20 IIBD Cc1cccc(Oc2nc(CN3CCOCC3)nc3sc4c(c23)CCCC4)c1[N+](=O)[O-] 301877948 YURMESVCWKNMNZ-UHFFFAOYSA-N 440.525 4.411 5 20 IIBD Cc1ccc(Sc2ccc(CN[C@H](Cn3nc(C)cc3C)C(=O)O)cc2[N+](=O)[O-])cc1 426737863 QXQKFQVBZOBWFS-LJQANCHMSA-N 440.525 4.111 5 20 IIBD Cc1ccc(-n2nccc2NC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)nn1 427118180 UGZAOKDVPBNTQU-UHFFFAOYSA-N 426.502 4.269 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccccc3F)nc2)cc1[N+](=O)[O-] 427581436 XWIYDHMMSPODHT-AWEZNQCLSA-N 438.415 4.046 5 20 IIBD C[C@H]1CCCN(Cc2ccc(CNC(=O)COc3ccc([N+](=O)[O-])c4cccnc34)cc2)C1 427925396 UBKYIEVYHNCOTL-SFHVURJKSA-N 448.523 4.070 5 20 IIBD CC(C)N(C)S(=O)(=O)c1ccc(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 433169572 RUPUKSODBHKKQP-OAQYLSRUSA-N 431.558 4.136 5 20 IIBD CC1(C)CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCS1 434366802 KTSNBFIRJRGUHB-UHFFFAOYSA-N 431.480 4.184 5 20 IIBD Cc1c(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cnn1-c1ccccc1F 435562770 JDRFUMWYLXMOGR-UHFFFAOYSA-N 439.447 4.303 5 20 IIBD CCOc1ccc(CN2CCN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CC2)cc1 435870445 GBDMDMAICRBCKL-UHFFFAOYSA-N 441.531 4.038 5 20 IIBD C[C@@H]1CCC[C@@](CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)(N(C)C)C1 436148920 IJISZKKFBAKZNN-JBEBIEQOSA-N 427.495 4.200 5 20 IIBD C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 436240740 JPJPJASSHQPKJR-BFYDXBDKSA-N 439.506 4.437 5 20 IIBD CC(C)N(Cc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1)C[C@@H]1CCCCO1 436978369 ICYKPZMDDUHGSS-FQEVSTJZSA-N 427.501 4.332 5 20 IIBD C[C@H](NC(=O)Nc1cc(F)c(F)cc1I)c1cccc([N+](=O)[O-])c1 438580347 GJCQHXRVMHSARA-QMMMGPOBSA-N 447.179 4.360 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(CCCO)C(c1ccccc1)c1ccccc1 439801416 OBRDIKBZYWOCFM-UHFFFAOYSA-N 433.508 4.316 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C 440064693 SRULZQFIQKCDCT-JOKNJTHLSA-N 431.876 4.099 5 20 IIBD COCc1nc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c(-c2ccccc2)s1 442872569 IFNYMOCPJLCSBP-WMZOPIPTSA-N 427.530 4.335 5 20 IIBD C[C@@H](NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(Br)s1 443300188 SSPYQISQHNIQLF-GFCCVEGCSA-N 439.335 4.012 5 20 IIBD O=[N+]([O-])c1cnc(N2CCN(c3ccc(Br)cc3C(F)(F)F)CC2)s1 443504459 VLNKUSFJHOZCPZ-UHFFFAOYSA-N 437.241 4.159 5 20 IIBD COc1cc(C(=O)N(CCc2ccc(C)cc2)CC(F)(F)F)c([N+](=O)[O-])cc1OC 443895661 KDHGVNQRBNBUEL-UHFFFAOYSA-N 426.391 4.168 5 20 IIBD COc1ccccc1O[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 443910233 URJKKWIEPQDRPM-QGZVFWFLSA-N 435.480 4.413 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCO[C@H](Cc2ccccc2)C1 444285859 HKWIJJMALPXRPX-QGZVFWFLSA-N 434.442 4.043 5 20 IIBD Cc1ccc2c(c1)nc(CNC(=O)c1cc(F)cc3c(=O)c4cc(F)ccc4[nH]c13)n2C 444334930 JDXDMPMFXRPATQ-UHFFFAOYSA-N 432.430 4.085 5 20 IIBD COc1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1Br 444997410 FRXOYKYTQZCQIJ-UHFFFAOYSA-N 436.081 4.442 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(/C=C/c3ccc(OC(F)F)c(OC)c3)n2)c1 445582724 GOSFUYJHFLOMEJ-XBXARRHUSA-N 433.367 4.358 5 20 IIBD CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCOc2ccc(Br)cc21 445874276 FUTQMQSTFQTTIP-MRXNPFEDSA-N 445.273 4.363 5 20 IIBD CSc1ccc(C(=O)N2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)cc1[N+](=O)[O-] 446630569 ZPXUSFHCAGVIMU-MRXNPFEDSA-N 439.493 4.098 5 20 IIBD CCN(C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)[C@H](Cc1ccc(F)cc1)C(C)C 446895389 BTNFSWHTQTWHAY-HXUWFJFHSA-N 427.480 4.409 5 20 IIBD O=C(NCC1(CO)CC(c2ccccc2)C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 447623218 BMKCIDQQZFKZTE-UHFFFAOYSA-N 446.503 4.460 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N3CCCC[C@@H]3C[C@H](C)O)c([N+](=O)[O-])c2)c(C)c1 447812011 PVIWIDRYBAERFW-ZWKOTPCHSA-N 447.557 4.142 5 20 IIBD C[C@H](Nc1ccc(C(=O)N(C)CC[C@H]2CCCCN2C)cc1[N+](=O)[O-])c1ccccn1 461267170 YSOQABMZYXIXBP-PKOBYXMFSA-N 425.533 4.109 5 20 IIBD Cn1cc(C(=O)COc2ccc(Cl)cc2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cn1 463200998 KQXHYCNRZIRTKD-UHFFFAOYSA-N 449.250 4.149 5 20 IIBD O=C(NCCc1cn2c(n1)SCC2)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 466729626 AZEKASAKKLKEND-UHFFFAOYSA-N 432.571 4.152 5 20 IIBD Cc1cc(C(=O)NC2CCCCC2)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 466959837 OAYOGOPUCAHESS-UHFFFAOYSA-N 437.543 4.136 5 20 IIBD O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1cc2cc([N+](=O)[O-])ccc2o1 468084277 AJLSLKYFPQRDEE-HXUWFJFHSA-N 429.432 4.321 5 20 IIBD O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 470306044 CJQMQTCXSHOUMC-UHFFFAOYSA-N 427.844 4.126 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCS(=O)(=O)c1ccc(C(C)(C)C)cc1 475580091 DLZUMYZBOQLCJK-UHFFFAOYSA-N 433.530 4.105 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1ccc(OCc2ccccn2)c(F)c1 476420912 BCJWIWYBHRZFAD-UHFFFAOYSA-N 437.836 4.162 5 20 IIBD O=C(Nc1c(-c2ccco2)nc2ccccn12)C1CCN(c2ccccc2[N+](=O)[O-])CC1 476425218 IELUXVCZDIFUTQ-UHFFFAOYSA-N 431.452 4.358 5 20 IIBD COC(=O)[C@H]1CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C[C@@H]1C 476753073 HKWJBNQXDIHDCS-YOEHRIQHSA-N 445.903 4.132 5 20 IIBD Cc1cccc(CC2(O)CCN(C(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)CC2)c1 477703472 PQFOTBGNQKTLBC-UHFFFAOYSA-N 447.329 4.184 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3nc(C(C)(C)C)cs3)CC2)ccc1[N+](=O)[O-] 478899449 RORDBTYLEOBCIT-UHFFFAOYSA-N 433.534 4.102 5 20 IIBD COc1ccc([C@@H](C)NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1Br 479413189 BXZBCQBLHIDYOI-GFCCVEGCSA-N 445.273 4.043 5 20 IIBD CCCNc1ccc(Cl)cc1NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O 479726054 ZPQRKZGIBLAIQY-UHFFFAOYSA-N 441.875 4.177 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)CCCc2cc(-c3ccccc3)no2)c1C 481015639 RTHSPIJCYXXFEV-UHFFFAOYSA-N 429.498 4.120 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1cc(F)c(Cl)cc1F)c1ccccc1[N+](=O)[O-] 481104402 MYTRTAMCHXJYIE-MRXNPFEDSA-N 426.803 4.339 5 20 IIBD Cc1cc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc(N2CCN(C(C)C)CC2)c1 481638171 NMYXCBKPINSOQE-QGZVFWFLSA-N 428.508 4.315 5 20 IIBD CCOc1cc(NC(=O)C(=O)N(CC)Cc2ccc(Cl)cc2)c([N+](=O)[O-])cc1OCC 484741808 XADVPXICNQNPFK-UHFFFAOYSA-N 449.891 4.033 5 20 IIBD COc1cc(C(=O)Nc2ccnn2-c2cccc(Cl)c2)c([N+](=O)[O-])cc1OC(F)F 485916236 AWAMCOZLHLWDLW-UHFFFAOYSA-N 438.774 4.296 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N2CCC(c3c(F)cccc3F)CC2)c([N+](=O)[O-])c1 486031351 UECKUFRUFHPOKI-UHFFFAOYSA-N 426.423 4.222 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(OC)c(Br)c1 486098462 UTYYITCOEVVNQW-UHFFFAOYSA-N 425.304 4.408 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)Cc1nc2ccccc2s1 486423188 PIFPHSQZCHFAEA-CYBMUJFWSA-N 431.539 4.304 5 20 IIBD COc1c(C)cnc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c1C 486667510 ZKQMDKOWOHSZGI-UHFFFAOYSA-N 434.496 4.500 5 20 IIBD CCCCCc1ccc(C(=O)CCC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 487013282 LYIABCWOXXQEFV-UHFFFAOYSA-N 426.517 4.351 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)N[C@@H](Cc1ccccc1)c1ccccc1 487899520 SVSGQMVYUOLYRF-NRFANRHFSA-N 427.460 4.010 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 488282941 RPBNPMAOWWUOFJ-GJZGRUSLSA-N 443.525 4.209 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H](c2nc3c(s2)CCCC3)C1 490034955 STMVJQDXUPEZTQ-HNNXBMFYSA-N 444.557 4.147 5 20 IIBD Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 490369558 OMZILCGJOHZWLE-UHFFFAOYSA-N 438.444 4.127 5 20 IIBD COc1cc(CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)c([N+](=O)[O-])cc1OCC(F)F 491922126 XJDDVEMVIZZRBU-AWEZNQCLSA-N 447.442 4.021 5 20 IIBD O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 496504070 UHXULLCMTCEKEZ-INIZCTEOSA-N 443.447 4.164 5 20 IIBD CCN(C(=O)COc1ccccc1[N+](=O)[O-])[C@H](c1cccnc1)c1ccc(F)c(F)c1 496557262 WNNFVABEZUZGKH-QFIPXVFZSA-N 427.407 4.285 5 20 IIBD O=c1ccccn1C[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 500475233 LQSUBMBNEAWOAT-OAQYLSRUSA-N 432.505 4.411 5 20 IIBD Cc1c(NC(=O)[C@@H](C)N2CCO[C@H](c3cccc(Br)c3)C2)cccc1[N+](=O)[O-] 500607022 KRXHMLSKZCKOSR-KUHUBIRLSA-N 448.317 4.066 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)cc1OC 500611102 FWXATXVVUDUIGJ-RTBURBONSA-N 438.480 4.089 5 20 IIBD CC(C)(C)C[C@@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(F)cc1 500778966 XINGSRNEHRJDNO-MRXNPFEDSA-N 433.505 4.219 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 502119988 IBMLLHNZQAJODC-OAHLLOKOSA-N 426.448 4.473 5 20 IIBD Cc1cc(=O)c(C(=O)N2CCC[C@H]2c2cccc(Cl)c2)nn1-c1ccccc1[N+](=O)[O-] 502968206 HJWAFATYTJXBRL-KRWDZBQOSA-N 438.871 4.080 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCCc1nc(-c2ccncc2)cs1 503113898 IZUCYAZZXMVEKM-CYBMUJFWSA-N 446.916 4.283 5 20 IIBD O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(CCOCC(F)(F)F)CC2)s1 505520694 RBNBOHHJEKGYLK-UHFFFAOYSA-N 429.464 4.020 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(N[C@@H]2CCOc3c(Cl)cccc32)c([N+](=O)[O-])c1 505583014 XXFHBMJRGAZWMB-MRXNPFEDSA-N 439.921 4.214 5 20 IIBD Cc1noc2ncc(NC(=O)C3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)cc12 505878443 UZBQPUUVMBHHMZ-UHFFFAOYSA-N 449.389 4.313 5 20 IIBD CCn1c([C@@H]2CCCN2C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)nc2ccccc21 506196691 OAAGXQKOXMOSPD-NRFANRHFSA-N 430.468 4.127 5 20 IIBD COc1ccc(-c2nc(C)c([C@H](C)NS(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)s2)cc1 506253563 IWBIZECIOCPLCE-AWEZNQCLSA-N 447.538 4.216 5 20 IIBD Cc1ccc(S(=O)(=O)NCc2ccccc2-c2ccc(CN(C)C)cc2)c([N+](=O)[O-])c1 507535961 VSOBEFWWHMZHKT-UHFFFAOYSA-N 439.537 4.110 5 20 IIBD O=C(NCc1ccncc1OCc1ccccc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 509255171 LEZSWWMJAKQOHV-UHFFFAOYSA-N 432.480 4.443 5 20 IIBD CCN(C(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-])c1ccc(OC)cc1 512415602 NCVYVMFRLPHRDK-UHFFFAOYSA-N 443.481 4.314 5 20 IIBD O=C(Nc1cccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1)c1ccccn1 515667015 CIKIVXOMZGDTFI-UHFFFAOYSA-N 432.461 4.387 5 20 IIBD COc1ccc(CNC(=O)c2sc(COc3ccc(F)cc3)nc2C)cc1[N+](=O)[O-] 515730632 ZNGWIFZDKBVCIO-UHFFFAOYSA-N 431.445 4.016 5 20 IIBD Cn1cc(C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 516591422 TXHAWYMNDKCEIG-UHFFFAOYSA-N 430.468 4.324 5 20 IIBD COc1cc(OCC(=O)N(Cc2cccc(Br)c2)C(C)C)ccc1[N+](=O)[O-] 519019349 FMBAYGHPTRZDCS-UHFFFAOYSA-N 437.290 4.182 5 20 IIBD Cc1c(-c2nc(-c3cccc(CN4CCCCC4)c3)no2)nnn1-c1cccc([N+](=O)[O-])c1 521050876 JXTCGHKXYVERSR-UHFFFAOYSA-N 445.483 4.187 5 20 IIBD CC(C)(CNC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1cccc(Br)c1 521180347 WWOVVQGDMFZNJA-UHFFFAOYSA-N 444.285 4.319 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccc(OC2CCCCC2)nc1 522221594 OTGAWUJHDDAKFS-AWEZNQCLSA-N 433.892 4.438 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1nc(-c2ccc(Cl)cc2)n[nH]1 522240441 QMBJMMSVVPBEMX-UHFFFAOYSA-N 429.867 4.232 5 20 IIBD O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 522349275 DPUXUBGPKDWPNV-JGCGQSQUSA-N 446.488 4.341 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H](C)C[C@@H]2CCCO2)cc1[N+](=O)[O-] 522545773 HQJXJOHXGJBCPE-ZBFHGGJFSA-N 428.510 4.235 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N(Cc1ccc2c(c1)OCO2)C1CCCCC1 524536467 KAVXSHOQKUZNSK-UHFFFAOYSA-N 440.452 4.070 5 20 IIBD Cc1c(C(=O)N2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC2)sc2ccccc12 524950616 NMONBQAXIVHHGJ-UHFFFAOYSA-N 449.488 4.462 5 20 IIBD C[C@H](C(=O)N1CCc2cc(Br)cc(F)c2C1)c1ccc([N+](=O)[O-])cc1F 527278841 JYBNAQVMQQDNPB-JTQLQIEISA-N 425.229 4.324 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@H]2c2nc3ccccc3n2C)c1C 531676188 DQKONQCBBBDCSF-LJQANCHMSA-N 428.514 4.014 5 20 IIBD O=C(CCC1CCCCC1)N1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 533246381 ZVEIJRTVXWQHDI-UHFFFAOYSA-N 440.544 4.297 5 20 IIBD O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 534745457 PXIDXMQQYWGELO-UHFFFAOYSA-N 449.427 4.172 5 20 IIBD COc1ccc(Oc2ccc(CCNC(=O)C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)cc1 535089711 SBZWEYIRQVWCIV-UHFFFAOYSA-N 449.463 4.002 5 20 IIBD C[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(OCc2cccnc2)cc1 535360295 CMSFDABNNZRURK-INIZCTEOSA-N 430.464 4.470 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCC[C@H]1[C@H](O)C(F)(F)F 535442622 QYLUSQLXLDLCLI-RDJZCZTQSA-N 426.416 4.274 5 20 IIBD CC(C)c1ccc2c(c1)[C@@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])CCC2 536528791 PLVGVTFIFVISKU-SFHVURJKSA-N 429.904 4.295 5 20 IIBD CC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1cc(F)ccc1F 537140707 RJSUVADUASJCAS-HNNXBMFYSA-N 428.233 4.315 5 20 IIBD CCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C 537156134 WPKJNCDVMFTYFZ-UHFFFAOYSA-N 431.514 4.448 5 20 IIBD Cc1cc(C)n(-c2ccccc2CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])n1 537287585 BYFPDBJOURDBIG-UHFFFAOYSA-N 427.464 4.389 5 20 IIBD CC(C)CO[C@@H](C)c1noc(CN(C)Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 539829731 ZMEWNQQKMJLOKD-AWEZNQCLSA-N 431.518 4.467 5 20 IIBD O=[N+]([O-])c1ccc(CSc2nnc(N3CCCCC3)n2C[C@H]2CCCO2)c(Cl)c1 541074907 MOGCCPUUEIKIND-MRXNPFEDSA-N 437.953 4.301 5 20 IIBD COc1ccc(NC(=O)[C@@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)cc1[N+](=O)[O-] 542933078 IJWQUFBWPUGORU-QHCPKHFHSA-N 435.480 4.079 5 20 IIBD COc1cccc([C@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)N(C)C)c1 543444272 KMZHOPTXDRNNDK-KRWDZBQOSA-N 426.395 4.047 5 20 IIBD O=C(NCc1ccco1)c1cccc(-c2noc(-c3c[nH]c4cc([N+](=O)[O-])ccc34)n2)c1 544952890 ZGHGIDGFKYKYSR-UHFFFAOYSA-N 429.392 4.316 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2cccc(OCC(F)F)n2)no1 545137119 WTGFCTHHXOBKAA-SECBINFHSA-N 426.763 4.477 5 20 IIBD Cn1ccc([C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2)n1 545142186 HGERUXCGYPAQDL-NRFANRHFSA-N 427.892 4.080 5 20 IIBD CCCc1c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cnn1-c1cc(C)ccn1 546255387 HTUWWHXSMPNJJJ-UHFFFAOYSA-N 434.500 4.289 5 20 IIBD O=C(Nc1nc2c(Br)cccc2s1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 553746994 RVFMRBAKPYMTLH-UHFFFAOYSA-N 444.270 4.405 5 20 IIBD CC[C@@H](c1ccccc1OC)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 557858960 IWNUDDQCCPOHCP-HNNXBMFYSA-N 432.420 4.394 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1nc(C2CCOCC2)cs1 561393802 QMVIKSUANTUYSG-UHFFFAOYSA-N 426.292 4.269 5 20 IIBD O=C(Nc1cccc(-c2nc(O)n[nH]2)c1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 586824904 BOWGHXAXMHRIFR-UHFFFAOYSA-N 425.470 4.373 5 20 IIBD CC[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C[C@H](C)[S@]1=O 589186657 MRDYPOYPDZWQMY-YNQDFRMBSA-N 441.347 4.349 5 20 IIBD O=C(c1ccc(-c2ccccc2Cl)o1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 590530238 PMYKWFUCCGNADY-UHFFFAOYSA-N 439.855 4.106 5 20 IIBD Cc1c(C(=O)NC(Cc2ccccc2)Cc2ccccc2)nnn1-c1cccc([N+](=O)[O-])c1 603568771 SACWZUXNMYUACB-UHFFFAOYSA-N 441.491 4.068 5 20 IIBD O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CC(=O)N(Cc1ccccc1)c1ccc(Cl)cc1 603989961 BBZJCLWVWWTCBD-UHFFFAOYSA-N 449.850 4.078 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 604105732 OFYCFBIQXLLDHC-KGLIPLIRSA-N 448.932 4.001 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCN(c2cccc(F)c2)CC1 604248285 AHLZAGQYLYJCQP-UHFFFAOYSA-N 443.422 4.194 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cnnn1-c1ccccc1Cl 604528065 KHPRETXRNQTARN-UHFFFAOYSA-N 426.845 4.205 5 20 IIBD CN(Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C1CCCCC1 608935829 FRDOJRJVFWEWNR-UHFFFAOYSA-N 425.485 4.383 5 20 IIBD Cc1ccc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)cc1NC(=O)c1ccccc1F 609455322 VBAUDFIOIWJYQP-UHFFFAOYSA-N 437.427 4.103 5 20 IIBD Cc1cc(S(=O)(=O)NCc2ccc(-c3nc4ccccc4s3)o2)ccc1[N+](=O)[O-] 609673207 MGXLHFZEXYNRCW-UHFFFAOYSA-N 429.479 4.251 5 20 IIBD C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 609696215 OMRGGUJHOMIUBT-JKSUJKDBSA-N 431.920 4.357 5 20 IIBD CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] 609710174 WZVKYEUWFFPHIV-KRWDZBQOSA-N 435.908 4.128 5 20 IIBD C[C@@H](NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C(=O)N1CCCC[C@H]1C 609782221 VIRRBWYKYQPGKJ-HZPDHXFCSA-N 426.473 4.298 5 20 IIBD CN(Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])cn1C)C(=O)c1cc2ccccc2o1 609908367 SJAGQWJEJLSQCH-UHFFFAOYSA-N 432.436 4.204 5 20 IIBD Cn1cnnc1Sc1ccc(-c2nc([C@@H]3CCc4ccccc4C3)no2)cc1[N+](=O)[O-] 612952136 VFTYYFRBGLKRHL-OAHLLOKOSA-N 434.481 4.197 5 20 IIBD CC(C)(C)OC(=O)NC1(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CCCCC1 725728432 VXCXJRGSMLJFDQ-UHFFFAOYSA-N 446.548 4.152 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)OCC(=O)c2cccc3ccccc23)ccc1[N+](=O)[O-] 726676499 SXPAGAGEKUMSER-QFIPXVFZSA-N 446.459 4.087 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1occc1CN1c2ccccc2C[C@@H]1C 728686104 DSQSNMAJAATOBY-INIZCTEOSA-N 449.463 4.243 5 20 IIBD O=C(Nc1cnn(-c2ccccc2Cl)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 730185457 CVNCXKXRJQSLGD-UHFFFAOYSA-N 425.876 4.289 5 20 IIBD O=C(CCCc1ccc(Cl)cc1)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730703037 GEJAHPAULQSCAX-SFHVURJKSA-N 430.888 4.419 5 20 IIBD COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c(Cl)c1 731087467 CNUKFQMYPAPQJM-VIFPVBQESA-N 446.765 4.460 5 20 IIBD C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 731514542 WSYWTKFLZYGHIX-DIFFPNOSSA-N 439.251 4.018 5 20 IIBD O=[N+]([O-])c1c(N2CCCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)ccc2ncccc12 732566143 COVPINOUWVUBMH-UHFFFAOYSA-N 444.451 4.316 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(N3CCC[C@H]3C(=O)Nc3cc(Cl)cc(Cl)c3)cc2N1 733187031 NKMRBBRZAZWPIA-INIZCTEOSA-N 449.294 4.394 5 20 IIBD O=C(O[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1ccc(Cl)c([N+](=O)[O-])c1 733814970 JARWTRWHHCJEHB-HNNXBMFYSA-N 444.749 4.109 5 20 IIBD CC(=O)N(c1nc(COC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cs1)C1CC1 734187889 YLHCFAFCFWQIQF-UHFFFAOYSA-N 444.494 4.047 5 20 IIBD CN1C(=O)CC[C@H](COC(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(C(F)(F)F)cc1 737378470 XVHWUPAAQPPTDQ-BEFAXECRSA-N 436.386 4.380 5 20 IIBD CN1C(=O)C[C@H](COC(=O)CSc2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc(Cl)c1 737378865 DJXJLDDLANICGR-JLTOFOAXSA-N 434.901 4.103 5 20 IIBD Cc1nc(Cc2ccccc2)sc1[C@@H](C)OC(=O)CCn1nc(C)c([N+](=O)[O-])c1C 739591980 LYHRNWLXBCXVKK-MRXNPFEDSA-N 428.514 4.458 5 20 IIBD C[C@@H]1CN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C 740870823 JFDSCUORDNSGSM-PWSUYJOCSA-N 448.398 4.261 5 20 IIBD C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 742308538 JLWCBIYCWATCBW-IOASZLSFSA-N 439.331 4.313 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCC[C@@H](O)c3ccccc3)cc2[N+](=O)[O-])n1 742825838 WVUDRFMKXKASFL-QGZVFWFLSA-N 429.523 4.364 5 20 IIBD C[C@H](C(=O)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1C(F)(F)F 744067010 ZZZVACFJPLOAFZ-NSHDSACASA-N 444.793 4.344 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)O[C@H](c1ccccc1)c1ccncc1 744962294 BPLCMEOYQWSNTG-JOCHJYFZSA-N 433.420 4.011 5 20 IIBD C[C@@H]1CCC[C@H](OCc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1 745098734 HEQVMXDKTKTAQY-KDOFPFPSSA-N 449.485 4.399 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c(F)c1 747963670 YCOWYYOBTHIFGB-LBPRGKRZSA-N 429.429 4.350 5 20 IIBD CN(C(=O)c1ccncc1)c1ccc(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 752989465 WLBURHYZCJZDFG-UHFFFAOYSA-N 447.495 4.001 5 20 IIBD Cn1c([C@@H]2CCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)nc2ccccc21 754635639 JCYKDLYJHFZOIL-HNNXBMFYSA-N 447.264 4.360 5 20 IIBD C[C@H](CSc1ccc(F)cc1)C(=O)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 756240997 AHUQONSQBJYDOF-GFCCVEGCSA-N 440.880 4.089 5 20 IIBD O=C(C[C@@H]1CCCCO1)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 756512259 VMZMUVZYYOFRIG-OXJNMPFZSA-N 432.860 4.430 5 20 IIBD CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 758279622 AKSHZHUNEUSTEG-QGZVFWFLSA-N 440.374 4.090 5 20 IIBD C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1NC(=O)c1cc([N+](=O)[O-])ccc1Br 760881746 QJODYGKZCMQPBT-HUUCEWRRSA-N 446.345 4.244 5 20 IIBD CC(C)[C@@H](NC(=O)OC(C)(C)C)c1noc(-c2cc(O)nc3ccc([N+](=O)[O-])cc23)n1 762021736 FDAOJZIHRCDYDR-MRXNPFEDSA-N 429.433 4.120 5 20 IIBD COc1ccccc1C(=O)Nc1ccc(OC(=O)c2cc(F)c([N+](=O)[O-])cc2F)cc1 763375143 YFFYTMMGAMLZNN-UHFFFAOYSA-N 428.347 4.353 5 20 IIBD C[C@@H](C(=O)OCC(=O)Nc1ccc(N2CCCCCC2)cc1)c1cccc([N+](=O)[O-])c1 763404489 QAQMDTNNMSYZAB-QGZVFWFLSA-N 425.485 4.261 5 20 IIBD O=[N+]([O-])c1cc(Br)cnc1N1CCC(O)(c2ccccc2C(F)(F)F)CC1 764914627 PLPKAJIQXKKVDR-UHFFFAOYSA-N 446.223 4.259 5 20 IIBD Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)C2)cc1 765485098 QJGDWIHLNVOONK-HNNXBMFYSA-N 430.892 4.231 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 766306329 HNEWAKYPBWRMMA-INIZCTEOSA-N 427.791 4.455 5 20 IIBD Cc1nc(CCOC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cs1 767489870 ZAPYLTMLCDFUJT-UHFFFAOYSA-N 439.493 4.056 5 20 IIBD CC(=O)[C@@H](Cc1ccc(F)cc1F)OC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 768642905 LAZFOWCJHAIQMX-BBATYDOGSA-N 427.787 4.037 5 20 IIBD CCOc1ccc(-c2nc(COC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)co2)cc1 773142527 ZZFUCWDZJMTIQG-UHFFFAOYSA-N 427.369 4.222 5 20 IIBD CC(C)(C)OC(=O)NCCc1ccc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 774160505 HMVIJUXFRQZEJR-WOJBJXKFSA-N 443.548 4.132 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@](O)(c1ccccc1)C(F)(F)F 775538693 NOWVMNYEYYXHLK-SFHVURJKSA-N 428.432 4.275 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(N[C@H]3CCN(c4ccccc4C(F)(F)F)C3)CC2)cc1 775584753 AEUZBAVWUSFKBM-KRWDZBQOSA-N 434.462 4.451 5 20 IIBD C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 776502170 FVOAMKASQIXEDA-ZWKOTPCHSA-N 449.551 4.011 5 20 IIBD O=C(Nc1ccccc1NC(=O)c1cccs1)c1cc([N+](=O)[O-])c2nsnc2c1 778256172 UXATVTNSWQQQPF-UHFFFAOYSA-N 425.451 4.166 5 20 IIBD Cc1nn(C)c(C)c1[C@@H](OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(F)(F)F 781514159 KMFHNEDYOABBSI-HXUWFJFHSA-N 429.398 4.492 5 20 IIBD C[C@@H](Nc1ccc(C(=O)OCc2nnc(-c3ccco3)o2)cc1[N+](=O)[O-])c1ccccn1 783109645 COQHTBOSLBUULB-CYBMUJFWSA-N 435.396 4.163 5 20 IIBD CC(C)(C)OC(=O)NCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 784131084 ADCXKHAXGQPUCR-UHFFFAOYSA-N 435.864 4.404 5 20 IIBD Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N(Cc1cccs1)C1CC1 784740081 YRBFIXSFDJPALB-UHFFFAOYSA-N 431.333 4.081 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 785381651 QNEGMIHPUVPNOZ-VIFPVBQESA-N 447.753 4.259 5 20 IIBD O=C(OCc1ccccc1)c1cccc(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 785795137 NOKQHPGQQOSKEP-UHFFFAOYSA-N 449.467 4.017 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 787309934 JZEGZANPXNHVOL-UHFFFAOYSA-N 446.769 4.217 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)Oc2ccc(Oc3ncc(Br)cn3)cc2)c1 789730457 JHHQWAGSYPZVLE-UHFFFAOYSA-N 430.214 4.467 5 20 IIBD COc1ccc(Br)c(CN(C)C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c1 790569738 FOEKZFFFQQREJY-UHFFFAOYSA-N 445.672 4.360 5 20 IIBD CC(C)Oc1cc(F)ccc1OS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 790942121 MVAKMUUFRWEEGW-UHFFFAOYSA-N 434.239 4.051 5 20 IIBD O=C(O[C@@H]([C@@H]1CCCOC1)C(F)(F)F)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 791016619 KLMMVZUTOQEZOZ-RNCFNFMXSA-N 431.285 4.050 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 794753748 QVDZDRAOMDXVQZ-KRWDZBQOSA-N 431.514 4.329 5 20 IIBD COc1ccc(Cl)c(NC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])c1 795583696 KHIPDIXWGQNXPN-UHFFFAOYSA-N 428.670 4.094 5 20 IIBD C[C@@H](c1ccccc1)N(C1CC1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 796122992 KJRSVPFZQFFHRP-LBPRGKRZSA-N 425.304 4.272 5 20 IIBD COc1cc([N+](=O)[O-])ccc1COC(=O)CSc1nnc(-c2cccs2)n1C1CC1 797473149 AQSKYZIOZFOGKQ-UHFFFAOYSA-N 446.510 4.094 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2[C@H]3CCC[C@H]2CC(NC(=O)OC(C)(C)C)C3)c1 798333719 AHUVFTIEFWPDSC-ROUUACIJSA-N 447.532 4.109 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNCCS(=O)(=O)CCc3ccccc3)s2)cc1 800311070 DQOGIYGMUMARBE-UHFFFAOYSA-N 430.551 4.070 5 20 IIBD Cc1cc(C)nc(C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)c1 800846191 CQKUKAYIWIAQQG-UHFFFAOYSA-N 436.537 4.293 5 20 IIBD COc1ccc(C2=NO[C@H](CNC(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)C2)cc1 801387729 XPIIFYRXEGYGNL-KRWDZBQOSA-N 429.498 4.027 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 804428812 YCOVXZMOOGURKW-BRWVUGGUSA-N 449.276 4.141 5 20 IIBD Cc1ccc2c(c1)[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br)CCC2 807541023 AAMFUESPJSNCLP-INIZCTEOSA-N 446.301 4.106 5 20 IIBD CC(C)(C)OC(=O)Nc1ccccc1CCc1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 809235669 MCPUOXZKCPWWBF-UHFFFAOYSA-N 425.445 4.359 5 20 IIBD Cc1ccc(CNC(=O)C2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3Cl)CC2)cc1F 809916936 YYQAFOBRZMXJID-UHFFFAOYSA-N 448.882 4.256 5 20 IIBD COCCn1c(Cc2c[nH]c3ccccc23)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 812137283 UWVZGAPPSGCYCU-UHFFFAOYSA-N 448.527 4.320 5 20 IIBD CCOCCCNC(=O)c1cccc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 812918231 QQLBDRLKHHTCIX-UHFFFAOYSA-N 440.283 4.310 5 20 IIBD O=C1CCCCC[C@@H](C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)C1 813416524 PVNAXLLSFHNAGF-MJGOQNOKSA-N 430.501 4.062 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)c1c[nH]c(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 814326935 FNICEHHKNMTREA-HNNXBMFYSA-N 439.390 4.184 5 20 IIBD COc1ccc2nc(Cl)ccc2c1S(=O)(=O)Oc1cccc(Cl)c1[N+](=O)[O-] 815056526 STNFBWLWRBOWPL-UHFFFAOYSA-N 429.237 4.226 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 815495914 RGDQMWQGQRIPTD-GFCCVEGCSA-N 445.438 4.379 5 20 IIBD COc1ccc([C@@H](O)C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)CC2)cc1 816780787 OWSONCDTDPOXBO-LJQANCHMSA-N 438.402 4.208 5 20 IIBD Nc1ccc(NC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] 819909725 GMVKRMNVXJNGPK-GBXCKJPGSA-N 444.491 4.296 5 20 IIBD COc1cc(C(=O)N[C@@H](CCO)C(F)(F)F)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 820310877 VOKJWSPBQOWBMO-INIZCTEOSA-N 448.781 4.092 5 20 IIBD COc1cc(C(=O)N[C@H](CCO)C(F)(F)F)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 820310878 VOKJWSPBQOWBMO-MRXNPFEDSA-N 448.781 4.092 5 20 IIBD CN(C)c1cc(F)c(C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)cc1[N+](=O)[O-] 821670762 QLIZDXMCQWJVAI-ZDUSSCGKSA-N 444.488 4.235 5 20 IIBD O=C(OCCOc1ccc(Br)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 844239707 ABIWGGCALCEABE-UHFFFAOYSA-N 449.301 4.196 5 20 IIBD COC(=O)c1ccc(OC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c(Br)c1 863926790 HGGVOXRVASCNII-JTQLQIEISA-N 440.271 4.230 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)O[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 915002647 DLPXHDIXAZCRKM-AWEZNQCLSA-N 446.887 4.413 5 20 IIBD CC(C)[C@H](OC(=O)COc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(Cl)ccc1Cl 915365658 NVTWMIRVTWHJOM-SFHVURJKSA-N 441.267 4.487 5 20 IIBD CC(C)Sc1ccc(C(=O)N(C)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 916993837 NYKDDPRIDCANBV-UHFFFAOYSA-N 428.919 4.210 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)cc1[N+](=O)[O-] 917779995 SADKRILTQLYFMD-CYBMUJFWSA-N 426.429 4.078 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2nc3ccc(Br)cc3s2)cc1C 918727292 ZDWWGJIGBPKFOZ-UHFFFAOYSA-N 442.316 4.385 5 20 IIBD O=C(OCc1noc(-c2ccc(F)cc2)n1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 919196091 TWYNMCDZNVSROY-UHFFFAOYSA-N 441.293 4.082 5 20 IIBD CN(CCOC(=O)c1csc(COc2ccc(F)cc2)n1)c1ccc([N+](=O)[O-])cc1 920804331 IPDOKYXNIASALQ-UHFFFAOYSA-N 431.445 4.063 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)COCc1ccncc1 1117482907 GKZLQMVJCVYHET-UHFFFAOYSA-N 441.465 4.050 5 20 IIBD O=[N+]([O-])c1ccc(CSc2nnc3ccc(Br)cn23)c(Br)c1 1261236141 WPKOIAIPFHSRDM-UHFFFAOYSA-N 444.108 4.455 5 20 IIBD COc1ccc(-c2cc(N[C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)ccc2OC)cc1 1318374256 RHJXACBXTZCIRJ-QFIPXVFZSA-N 433.464 4.496 5 20 IIBD Cc1nn(CCc2nnc(-c3ccc(Br)cc3Cl)o2)c(C)c1[N+](=O)[O-] 1328404620 CHWNYGYOHBNOOL-UHFFFAOYSA-N 426.658 4.117 5 20 IIBD COc1ccc(NC(=O)NCc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)c([N+](=O)[O-])c1 1349893542 XBHZGTYVNLRAHH-UHFFFAOYSA-N 442.472 4.176 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)C3Cc4ccccc4C3)CCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 1790188471 UEDLHBGHRCUXIX-UHFFFAOYSA-N 444.491 4.086 5 20 IIBD CC(C)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)n[nH]1 1821168023 GRCWPJVOZDJIBJ-SFHVURJKSA-N 431.468 4.199 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccccc2)CC1 1826365012 AEJQESFOUQENPK-FQEVSTJZSA-N 439.512 4.054 5 20 IIBD CC1=CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)CC1 1828343583 IDUFSIWMFVDTOG-RBUKOAKNSA-N 429.517 4.168 5 20 IIBD Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@]3(C)C[C@H]3C)CC2)cc1[N+](=O)[O-] 1830364580 DALAYRCSOVEVPE-JYMRHQFYSA-N 441.572 4.112 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC([C@H]2CCCCN2C(=O)CC2CCC2)CC1 1832833292 KFRPWYTYGZLIDG-OAQYLSRUSA-N 431.508 4.157 5 20 IIBD CCNc1ccc(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1[N+](=O)[O-] 10531113 JRYFMIBJZRSOIY-UHFFFAOYSA-N 445.781 4.494 5 20 IIBD CCCCNS(=O)(=O)c1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 11381850 SRIYIJFJIXYHMS-UHFFFAOYSA-N 433.511 4.140 5 20 IIBD COc1ccc(C(=O)C2CCN(C(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)CC2)cc1 12741045 YUGPYXXKRKNXAB-OAHLLOKOSA-N 428.510 4.206 5 20 IIBD CCc1sc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1C 14826729 QBSVJVSEMCUZJG-UHFFFAOYSA-N 437.524 4.069 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2ccc(SC(F)(F)F)cc2)c([N+](=O)[O-])c1 18656276 PHVHCICKKPWYCD-UHFFFAOYSA-N 430.360 4.011 5 20 IIBD C[C@H](OC(=O)c1cc(F)ccc1Br)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 18966454 KRYUZETWYCNLKC-VIFPVBQESA-N 436.193 4.464 5 20 IIBD CCCCc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 21680922 PDWJXJQYGOOHAD-ZDUSSCGKSA-N 444.492 4.172 5 20 IIBD Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 26482740 XLJZNMPQXWWHDG-XMMPIXPASA-N 445.523 4.109 5 20 IIBD C[C@H](OC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C(=O)NCc1ccccc1 28699438 JPTOHPXENBZLMR-KRWDZBQOSA-N 433.464 4.069 5 20 IIBD C[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 31384745 YGCTWNHHHIPXPA-YWZLYKJASA-N 431.514 4.046 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 64419301 VNSMRHSZOWRULM-MRXNPFEDSA-N 442.903 4.194 5 20 IIBD COc1ccc(OC)c(CCNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 65418441 ORSXMEZLSQXHBD-UHFFFAOYSA-N 435.480 4.197 5 20 IIBD O=C(C[C@@H]1C=CCC1)Nc1ccccc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 78618422 LYPCXDHZKZDHKM-MRXNPFEDSA-N 431.452 4.328 5 20 IIBD CCCCc1c(C)nc2nc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)nn2c1C 108243609 HWNVCKFHEGEZFB-AWEZNQCLSA-N 428.518 4.111 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(OC(F)(F)F)cc2)ccc1[N+](=O)[O-] 110315041 AGUWCVUMJNRAGE-QGZVFWFLSA-N 437.374 4.045 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc3ccc(Cl)c(Cl)c3n2)CC1 301987518 DKWCPHRGIYGLFA-UHFFFAOYSA-N 431.279 4.412 5 20 IIBD CCCc1[nH]nc(C(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)c1[N+](=O)[O-] 303399121 RDWMKVDVYAQKBY-UHFFFAOYSA-N 444.495 4.112 5 20 IIBD C[C@H](NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F)c1cccc([N+](=O)[O-])c1 409824094 UHWNXBVTUVRIQW-JTQLQIEISA-N 439.781 4.339 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc([N+](=O)[O-])c1 426324061 PPCJEBZLRJYOGA-UHFFFAOYSA-N 446.872 4.120 5 20 IIBD CN(Cc1ccc(Br)c(F)c1)C(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 427561527 ZMEUGZCNZQQKHN-UHFFFAOYSA-N 434.221 4.022 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cc(I)c(F)cc1F 435145460 RBWJFRTWDLOGTA-UHFFFAOYSA-N 432.164 4.347 5 20 IIBD COc1cc(Oc2ccccc2)ccc1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 437920099 XWDPIHPXRYZKNL-UHFFFAOYSA-N 431.408 4.229 5 20 IIBD CO[C@H](C)c1nc(CNC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cs1 438989379 ZANUXDHALLJLRU-RBSFLKMASA-N 432.546 4.171 5 20 IIBD COc1ccc([C@@H](CNc2cccc(C(N)=O)c2[N+](=O)[O-])c2c[nH]c3ccccc23)cc1 439127132 AQGGCPVRIIIUOP-LJQANCHMSA-N 430.464 4.428 5 20 IIBD Cc1cscc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 439178782 QMTXUKATZHBDDC-UHFFFAOYSA-N 431.495 4.326 5 20 IIBD CS(=O)(=O)c1cccc(Cl)c1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 439215447 ZTPCIRPOJSAZRR-UHFFFAOYSA-N 437.886 4.028 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 439723942 WYSUHOSDVZRBIH-FQEVSTJZSA-N 436.468 4.167 5 20 IIBD CSC[C@H](C)C(=O)N1CCC(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)CC1 440477914 KLTLEMRLZLSIHT-INIZCTEOSA-N 433.574 4.108 5 20 IIBD COc1cc(CNCc2cccc(N3CCC3=O)c2)c([N+](=O)[O-])cc1OCc1ccccc1 441193969 DGJSABDIXODRPJ-UHFFFAOYSA-N 447.491 4.209 5 20 IIBD COc1cccc2c1nc(NC(=O)c1cc(F)cc3c(=O)c4cccc(F)c4[nH]c13)n2C 444329480 KKBFQRQHIYZRDO-UHFFFAOYSA-N 434.402 4.107 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2Cc2nc(-c3ccc(O)nc3)no2)cc1 445433882 JZVCYABFJDOUCN-UHFFFAOYSA-N 440.419 4.189 5 20 IIBD CCOC(=O)[C@@H]1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc21 446248136 MXZQHRFSYSUZOT-XJKSGUPXSA-N 432.860 4.099 5 20 IIBD CC(C)(C(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1)n1cc([N+](=O)[O-])cn1 447670063 RIJBTLLIRVSHSH-UHFFFAOYSA-N 437.243 4.054 5 20 IIBD Cc1c(C(F)(F)F)nn(C)c1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 461184431 AWURMWAGMHSBEO-UHFFFAOYSA-N 439.316 4.115 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(S(=O)(=O)N(C)C(C)C)ccc1C 462425099 AECBLSJIRPIJBT-SFHVURJKSA-N 447.557 4.140 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccccc1OC)N1CCCC1 462747553 ZJWYMRMQWRTVFJ-UGKGYDQZSA-N 425.529 4.125 5 20 IIBD CN1CCC(N(C[C@H]2C[C@H]3C=C[C@H]2C3)C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 464694507 WWBNBBVGIKIPRY-HRCADAONSA-N 448.361 4.106 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 464720826 SJGHSLOLLOLELX-OAHLLOKOSA-N 435.402 4.163 5 20 IIBD Cc1ccc(Cc2sc(NC(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)nc2C)cc1 465030786 HSRNNFGSXOTYLW-UHFFFAOYSA-N 439.493 4.211 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccccc1 466280714 MFYIEWQGGJECRF-HBGVWJBISA-N 441.915 4.338 5 20 IIBD COc1cc(OCC(=O)Nc2cc(F)c(Br)cc2Cl)ccc1[N+](=O)[O-] 466462961 FBNZTRJWFXWIFF-UHFFFAOYSA-N 433.617 4.176 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(COCc2ccccc2)cc1 469712145 ZLPWTBDCVYCOOC-HXUWFJFHSA-N 437.500 4.183 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[C@@H](C)c1cccc(C(F)(F)F)c1 470013530 PFCMEPMCHHRSIY-KGLIPLIRSA-N 437.418 4.042 5 20 IIBD Cc1nnc(-c2cc(F)ccc2NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)o1 471382735 HMQCQSNHSBCECY-UHFFFAOYSA-N 425.401 4.468 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 471384029 NLQMHLZWWRRQRA-KDURUIRLSA-N 425.554 4.301 5 20 IIBD CCOc1cc(NC(=O)N2CC[C@@]3(C2)OCc2ccccc23)c([N+](=O)[O-])cc1OCC 473486064 BQMMZAPIVGLSPF-QFIPXVFZSA-N 427.457 4.056 5 20 IIBD O=C(NCCc1cccc(OCC(F)(F)F)c1)NCc1ccc([N+](=O)[O-])cc1Cl 474647033 KVGYXPOVOLJDNP-UHFFFAOYSA-N 431.798 4.231 5 20 IIBD Cc1nn(C)c(-n2ccnc2C)c1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 476040247 CLCLHWSYULOBMO-UHFFFAOYSA-N 432.440 4.175 5 20 IIBD CN1CC[C@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@@H]1c1ccc(Cl)c(F)c1 477441866 XBWFOUXZVBOWPZ-XCLFUZPHSA-N 430.867 4.291 5 20 IIBD Cc1nc2ccccc2n1C1CCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC1 480813509 UBNYWXFWFSMAPB-UHFFFAOYSA-N 444.495 4.059 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CC(C)(C)O[C@]4(CCCOC4)C3)c([N+](=O)[O-])c2)cc1 481082806 RZQHSIWTXQDERV-XMMPIXPASA-N 439.512 4.320 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3n2C(C)C)cc1[N+](=O)[O-] 481441420 UUJNESPQTMBOFD-IBGZPJMESA-N 428.514 4.360 5 20 IIBD CC1CCN(Cc2ccccc2CNC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC1 482292082 FQUPPUDJAQNZPP-UHFFFAOYSA-N 448.523 4.070 5 20 IIBD O=C(c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@@H](O)C1 486976986 MLSDLBSWHNYMNJ-CYBMUJFWSA-N 426.416 4.362 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 487025326 JCEZHSSNONGUSK-HXUWFJFHSA-N 444.451 4.198 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cc1N1CCNC1=O 488635478 XUPAEEZDXCEDFO-UHFFFAOYSA-N 432.436 4.477 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN([C@H](C)c2nc(-c3cccs3)no2)CC1 489222789 IERYBCMOAWKIBD-JKSUJKDBSA-N 427.530 4.455 5 20 IIBD O=C(NCC1(Cc2ccccc2)CCCC1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 490956331 USHBNLWOMGQQGI-SFHVURJKSA-N 441.553 4.180 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3nnc(-c4ccco4)s3)cc2[N+](=O)[O-])C1 491335137 XHMGAARCPZZEQW-BETUJISGSA-N 427.486 4.441 5 20 IIBD CCCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccc([N+](=O)[O-])c(OCC)c1 492517599 YAXXLIMSILCAQH-UHFFFAOYSA-N 425.407 4.262 5 20 IIBD CC[C@@H](NC(=O)C(=O)Nc1cc(-c2ccccc2)nn1C(C)C)c1cccc([N+](=O)[O-])c1 493968076 IYFCMUFLAMPIHR-LJQANCHMSA-N 435.484 4.245 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1)c1cc2c(c([N+](=O)[O-])c1)OCO2 494215242 HDQQLKCVKUKOFZ-AWEZNQCLSA-N 434.832 4.177 5 20 IIBD O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 495499100 CTQHGEHYGQKKIU-MRXNPFEDSA-N 436.493 4.209 5 20 IIBD O=C(NCCNc1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 498400719 NZDMINDEDYCIFE-UHFFFAOYSA-N 432.196 4.218 5 20 IIBD O=C(NCCCc1nc(-c2ccc(F)cc2)no1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 499117788 QYLXRBUKAWCYCP-UHFFFAOYSA-N 438.337 4.165 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCC[C@H](S(C)(=O)=O)CC3)cc2[N+](=O)[O-])cc1 500713828 LFKCCGDYACJQNE-SFHVURJKSA-N 448.566 4.094 5 20 IIBD COc1cc(Sc2nnc(COc3ccccc3Cl)n2C)c([N+](=O)[O-])cc1OC 501225374 FYTHXOKCHTYBMB-UHFFFAOYSA-N 436.877 4.124 5 20 IIBD O=C(N[C@H](Cn1ccccc1=O)c1ccccc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 502024948 USMQAPHRSSAESE-LJQANCHMSA-N 446.488 4.051 5 20 IIBD Cc1nc(-c2ccc([C@@H](C)NC(=O)NCCNc3ccccc3[N+](=O)[O-])cc2)cs1 504174417 ZOHYBXVLDAIYQQ-CQSZACIVSA-N 425.514 4.499 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C 507556669 XKANNMHLFKVJIL-ZDUSSCGKSA-N 448.508 4.407 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc(-n4cncn4)c(F)c3)cc2[N+](=O)[O-])C1 509517091 PRQOCUGHCLXXTO-GJZGRUSLSA-N 438.463 4.049 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2ccc(CN3CCCC3=O)cc2)cc1[N+](=O)[O-] 509649303 MEQRTBXOMLKZNL-UHFFFAOYSA-N 432.274 4.040 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 511268482 LWJHBSRLFYIRRW-UHFFFAOYSA-N 438.459 4.177 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@@H](c1cccc2ccccc12)C(F)(F)F 511693800 YCKQCMHZUZLPDA-IBGZPJMESA-N 445.353 4.076 5 20 IIBD C[C@@H](c1cccnc1)N1CCN(c2c([N+](=O)[O-])cnc3ccc(Br)cc23)CC1 514085897 XXYQDYYUJJCOSF-AWEZNQCLSA-N 442.317 4.184 5 20 IIBD Cc1cc(C)n(-c2ccc(CCN[C@H](c3cccc([N+](=O)[O-])c3)c3nccn3C)cc2)n1 514784910 YGLSOXQPSQMQNL-HSZRJFAPSA-N 430.512 4.053 5 20 IIBD CCCOc1cc(NC(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)c([N+](=O)[O-])cc1OCCC 515081585 LCQJQGCFYDJUIK-DLBZAZTESA-N 434.537 4.263 5 20 IIBD Cc1nc2sccn2c1CN(C)C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 519110055 NZNOXOYGBMOFNA-UHFFFAOYSA-N 441.435 4.092 5 20 IIBD O=C(NCc1ccc(COCc2ccccc2)cc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 519734788 OLQIXJJTZKJNBC-UHFFFAOYSA-N 447.491 4.416 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 519944440 HDEMMEBIUKLMDA-UHFFFAOYSA-N 430.411 4.321 5 20 IIBD CCOCCOc1c(Cl)cccc1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 521110261 VLYGHXRSGGXCHB-UHFFFAOYSA-N 435.285 4.118 5 20 IIBD COc1cc(C(=O)N2CCSC[C@H]2c2ccc(C)cc2)c([N+](=O)[O-])cc1OC(F)F 522543815 AIYBLLQXBQEEMS-INIZCTEOSA-N 438.452 4.444 5 20 IIBD COc1cc(CCNC(=O)N2CCCCC[C@@H]2c2ccc(C)o2)c([N+](=O)[O-])cc1OC 523471370 JQKJSOOOXWHDMP-QGZVFWFLSA-N 431.489 4.383 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCCCc1ccc(Br)cc1F 523815435 GLQONZPGBDMAFV-UHFFFAOYSA-N 434.265 4.200 5 20 IIBD Cc1cc([C@H](NC(=O)CCn2cc([N+](=O)[O-])nc2C)c2ccccc2Cl)ccc1F 525076466 IRNPRLNRSVOTIR-NRFANRHFSA-N 430.867 4.497 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)NCc1cc(Br)ccc1OC(F)F 534612838 OGUDEROVYZCOQE-UHFFFAOYSA-N 444.232 4.001 5 20 IIBD COc1ccc(CN[C@H](C)c2n[nH]c(C(C)C)n2)cc1OCc1ccc([N+](=O)[O-])cc1 536498212 PBVMRBAVGLRRAT-OAHLLOKOSA-N 425.489 4.275 5 20 IIBD Cc1nsc(N2CCCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)CC2)n1 538722773 OEGVLUXHQQJEAA-UHFFFAOYSA-N 433.921 4.380 5 20 IIBD Cn1cc(CNc2cc(F)ccc2OC[C@@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 538820439 MAGDNLPXCXHEOF-IBGZPJMESA-N 426.448 4.304 5 20 IIBD CCOc1ccccc1[C@H](CC)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br 539251809 AQDAQFVPCOFIAI-INIZCTEOSA-N 436.306 4.435 5 20 IIBD CCOc1cc2c(cc1CNC(=O)c1ccnc(-c3ccccc3)c1[N+](=O)[O-])O[C@@H](C)C2 539975560 KRDRQQSQXIKROV-HNNXBMFYSA-N 433.464 4.309 5 20 IIBD COc1cc(CN[C@H](c2ccc3c(c2)OCCO3)C2CC2)c([N+](=O)[O-])cc1OC(F)F 540589261 SLXXVSPNIYUACU-FQEVSTJZSA-N 436.411 4.217 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(C(=O)c2ccoc2)CC1 540787338 CNPAFDUPZFARHY-UHFFFAOYSA-N 431.514 4.115 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CCN(Cc2cscn2)CC1 542605573 DOCHFOQIDIMUJE-UHFFFAOYSA-N 446.598 4.292 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 545366053 GTQGNOSQKRUXRH-DLBZAZTESA-N 428.432 4.369 5 20 IIBD O=C(Nc1cccc(Br)c1Cl)c1cccc([N+](=O)[O-])c1N1CCOCC1 549323508 UNIKFHOAWRRDNN-UHFFFAOYSA-N 440.681 4.100 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(N2C(=O)CCC2=O)c1 553418502 NMZJDIUMXKNUAZ-UHFFFAOYSA-N 445.472 4.388 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1c1nc(-c2ccc([N+](=O)[O-])s2)no1 554824885 ZKVDNXPNWWETMA-GFCCVEGCSA-N 434.861 4.346 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1cc(F)c(F)cc1N1CCOCC1 579508475 PYDWKJVXFSGTIB-UHFFFAOYSA-N 443.859 4.094 5 20 IIBD COc1cc(C(=O)N2CCC[C@H](CO)CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 581212191 QCPBSLDWYPSYKA-AWEZNQCLSA-N 434.876 4.284 5 20 IIBD COCC[C@@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1OC)c1ccc(Cl)c(Cl)c1 581778333 IHONOQRVHWVJIG-QGZVFWFLSA-N 442.299 4.487 5 20 IIBD COc1ccc(C(=O)Nc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)cc1Br 590771405 APSDGDCENMJLQQ-UHFFFAOYSA-N 431.246 4.112 5 20 IIBD Cc1c(NC(=O)C[C@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)cccc1[N+](=O)[O-] 603500575 DYRRZEZMLDDTML-FQEVSTJZSA-N 434.452 4.434 5 20 IIBD O=C(NCc1ccc(Br)s1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 603688119 ZOAJTEMVRWMLED-UHFFFAOYSA-N 439.209 4.290 5 20 IIBD Cc1nc(CN2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)CC2)cs1 603785098 WATYZSKGLBVKKB-UHFFFAOYSA-N 438.509 4.110 5 20 IIBD CCCc1ccc([C@@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C(C)C)cc1 603794840 UNMTWXJJEIGAHU-QFIPXVFZSA-N 425.533 4.171 5 20 IIBD Cn1c([C@@H]2CCCCN2C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)nc2ccccc21 603939972 AGUXBEAFBJSSDC-QHCPKHFHSA-N 447.539 4.452 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccnc(Sc3ccccn3)c2)cc1[N+](=O)[O-] 608807135 WFHKARKONPMWLK-UHFFFAOYSA-N 442.522 4.417 5 20 IIBD CSc1ccc(C(=O)Nc2cc(C(=O)N3CCSCC3)ccc2C)cc1[N+](=O)[O-] 608946155 RKYQVDXVKZPODN-UHFFFAOYSA-N 431.539 4.066 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 608962966 MLEUCTTZCBVWKX-VOJFVSQTSA-N 443.258 4.408 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCCCN3C[C@@H](C)O[C@H](C)C3)c([N+](=O)[O-])c2)cc1 608972418 IPPNRHBPVGBSGW-QZTJIDSGSA-N 426.517 4.067 5 20 IIBD C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1cc2c(cc1Br)OCCO2 610041475 SHRBENIOHASUHA-LBPRGKRZSA-N 449.301 4.284 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1nc2ccccc2n1C1CCCC1 610123315 JZJYYGLHAISPIC-UHFFFAOYSA-N 449.467 4.386 5 20 IIBD Cc1cccc(-n2c(SCCn3cc([N+](=O)[O-])cn3)nc3cc(Cl)ccc3c2=O)c1 610208156 MPVUHQGCODNOLF-UHFFFAOYSA-N 441.900 4.245 5 20 IIBD Nc1c(C(=O)N[C@H](CC(F)(F)F)c2ccc(Br)cc2)cccc1[N+](=O)[O-] 612571063 PGPNHTIEEOCFDL-GFCCVEGCSA-N 432.196 4.363 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[C@@H](C)c1cccc(C(F)(F)F)c1 619488574 MCKXQJGNKAGLJA-GFCCVEGCSA-N 432.420 4.094 5 20 IIBD C[C@H](c1nc(O)c2ccccc2n1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727438344 SXAYNKFBGPUKOK-CYBMUJFWSA-N 447.417 4.146 5 20 IIBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)Oc1ccc(-c2ccccc2)cc1Cl 728116275 QMTSTGBYYPNBPG-UHFFFAOYSA-N 438.823 4.246 5 20 IIBD C[C@H](OC(=O)C[C@@H](c1ccccc1)C(F)(F)F)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 728652387 IZZCHIHIQDMHRO-FZMZJTMJSA-N 428.338 4.340 5 20 IIBD O=C(Nc1ccc(OS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccsc1 728936423 TVPIZSUPRBQTJM-UHFFFAOYSA-N 438.870 4.330 5 20 IIBD Cc1ccc(C(=O)NC[C@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1[N+](=O)[O-] 728972963 MOPWPVZSIPTPDC-INIZCTEOSA-N 436.308 4.102 5 20 IIBD Cc1csc([C@@](O)(CC(=O)OCc2cc([N+](=O)[O-])ccc2OC(C)C)C(F)(F)F)n1 729120137 WLGDWKUVAZIAHL-KRWDZBQOSA-N 448.419 4.030 5 20 IIBD COc1ccc([C@@H](OC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)n2cccn2)cc1 729801467 BHQSKQVPBPERFD-AOMKIAJQSA-N 447.451 4.145 5 20 IIBD C[C@H](SCc1ccccc1)C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730705550 QCBJZJJWDPYHOA-FUHWJXTLSA-N 428.510 4.065 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2cccc(CNC(=O)OC(C)(C)C)c2)cc1[N+](=O)[O-] 732293173 YJURICFCKAWFNI-UHFFFAOYSA-N 430.417 4.088 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCC[C@H](N3CCCCC3=O)C2)cc1[N+](=O)[O-] 732774307 QUDYPBYBEDCTML-SFHVURJKSA-N 433.574 4.350 5 20 IIBD O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 733752132 ORYMKTOGIUIYNV-UHFFFAOYSA-N 436.896 4.435 5 20 IIBD CC(C)[C@H](OC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)C(=O)Nc1ccccc1Cl 735353210 DAONHHJKXNLWRR-IBGZPJMESA-N 443.843 4.322 5 20 IIBD CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 737588181 FSKSORIFFLEXJA-IERDGZPVSA-N 446.525 4.403 5 20 IIBD CC(C)(C)OC(=O)NC1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 739797031 NVFXJFGYEIHKKW-UHFFFAOYSA-N 446.548 4.151 5 20 IIBD CC(C)c1ccc(CCNC(=O)COC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 745568012 ILLCIGVIFTXALI-UHFFFAOYSA-N 438.402 4.253 5 20 IIBD C[C@H](OC(=O)c1ccc(F)c(Br)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 745574018 HLDVPLIMPTYNKH-VIFPVBQESA-N 436.193 4.464 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 746265162 QQLYDIRHLPRKJX-MJGOQNOKSA-N 436.867 4.271 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1Cl 747118958 LEHPBZRRJADRNR-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD Cc1ccc(C(=O)NCc2cccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)cc1[N+](=O)[O-] 750837251 JPVMJFWYTUWJQY-UHFFFAOYSA-N 448.435 4.302 5 20 IIBD O=C(Cc1csc(-c2ccc(F)c(F)c2)n1)OCc1nc2cc([N+](=O)[O-])ccc2o1 751659125 VVQNXCOOFBKDKG-UHFFFAOYSA-N 431.376 4.424 5 20 IIBD Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3cc(F)cc(C)c3[N+](=O)[O-])C2)cc1 753454399 RDJVBYAHZRVBKW-INIZCTEOSA-N 428.464 4.025 5 20 IIBD C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1nc(C2CCCCC2)no1 755020024 SWWBAOFYPKEPHY-VIFPVBQESA-N 441.257 4.418 5 20 IIBD C[C@H](C(=O)OCC(=O)c1ccc(NC(=O)C(C)(C)C)cc1)c1ccc([N+](=O)[O-])cc1F 755065479 RCZNURSZXURWMN-ZDUSSCGKSA-N 430.432 4.248 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCCc1ccc(N2CCCCC2)cc1 755174861 IIZQMCYKNXRVIP-UHFFFAOYSA-N 446.345 4.249 5 20 IIBD CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 756967100 ONXDDSZQOKXONG-GOSISDBHSA-N 430.936 4.302 5 20 IIBD Cc1cccc(Cl)c1NC(=O)COC(=O)c1cc(Br)cc([N+](=O)[O-])c1 757729073 OXHHYQXOIXVQSD-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD CCc1cc(=NC(=O)c2cccc([N+](=O)[O-])c2Br)c2cc([N+](=O)[O-])ccc2[nH]1 759053910 LHNQYYDOBWXSJR-UHFFFAOYSA-N 445.229 4.050 5 20 IIBD Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 759956782 YSCZOFMSKRLLNO-UXHICEINSA-N 441.463 4.003 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cn1)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760466578 YJYDPEOZLUODHX-UHFFFAOYSA-N 439.371 4.499 5 20 IIBD Cc1nn(CN2CCO[C@H](c3ccc(Br)cc3)C2)c2cc([N+](=O)[O-])ccc12 761288540 QMNSZYHPZPETJH-IBGZPJMESA-N 431.290 4.046 5 20 IIBD CCS[C@H](C)c1noc(-c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)n1 762333890 OXWRMKCCNFDOCW-GFCCVEGCSA-N 435.483 4.227 5 20 IIBD CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)c1ccc([N+](=O)[O-])cc1Br 762660401 KLSRLJJDQWKLPF-SFHVURJKSA-N 439.281 4.328 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)Nc1ccccc1Cl 763811123 SQRKRGIHCDXORS-GFCCVEGCSA-N 438.889 4.171 5 20 IIBD CCN(CC)C(=O)COc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)cc1Cl 764214740 BYPVOUJUVORKIL-UHFFFAOYSA-N 437.855 4.195 5 20 IIBD Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)n(-c2ccc(C(F)(F)F)cn2)n1 764225942 SQMPXHJGWKRWRP-UHFFFAOYSA-N 425.754 4.408 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1ccccc1)C[C@@H](O)c1cccc(C)c1 767913240 SPGXEGZPFFXQDT-HSZRJFAPSA-N 449.507 4.086 5 20 IIBD Cc1c(C(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 769363577 VMGRODCBOJHPOK-CYBMUJFWSA-N 430.486 4.167 5 20 IIBD COc1cc(Cc2noc(-c3c(C)oc4ccc(OC)cc34)n2)c([N+](=O)[O-])c(OC)c1 771745757 BCIVHDJTRMWKHF-UHFFFAOYSA-N 425.397 4.316 5 20 IIBD COc1ccc(NC(=O)c2nnc(/C(Cl)=C/c3cc(O)ccc3[N+](=O)[O-])s2)cc1 772796753 LFZQJQVDNFLQJN-ZROIWOOFSA-N 432.845 4.150 5 20 IIBD COc1cc(NCc2ccccc2NS(=O)(=O)c2ccccc2)c([N+](=O)[O-])cc1OC 774523910 JXJGGJOTPZYIIA-UHFFFAOYSA-N 443.481 4.025 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 775089600 IJNXIQWELVLCSF-KBXCAEBGSA-N 444.509 4.281 5 20 IIBD O=C(CN1CCO[C@H](c2ccc(F)cc2Cl)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] 775731922 ZQCFWJLGOGHLTN-KRWDZBQOSA-N 428.247 4.053 5 20 IIBD CC(=O)Nc1sc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)nc1-c1ccccc1 776263604 OCUBWUMJLUWTCV-UHFFFAOYSA-N 441.425 4.146 5 20 IIBD Cc1ccc(-n2c(SC[C@H](O)c3ccc([N+](=O)[O-])cc3)nnc2N2CCCCC2)cc1 776277177 PPTWOAUSUGSQKR-FQEVSTJZSA-N 439.541 4.300 5 20 IIBD CCOc1cc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])cc1OCC 777920220 LZRHJYFEEJFTCO-UHFFFAOYSA-N 425.344 4.031 5 20 IIBD CC(C)(C)OC(=O)N1CCCc2c(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)cccc21 778358236 QPRAVMHUFNWSLR-UHFFFAOYSA-N 440.452 4.322 5 20 IIBD C[C@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 779072693 LCACMEHHDHOOFZ-HOCLYGCPSA-N 447.333 4.389 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](O)c1ccc(OC(F)(F)F)cc1 780444974 HEDRCFDOAQTSQC-INIZCTEOSA-N 444.431 4.459 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N(Cc1ccc2c(c1)OCO2)c1ccccc1 781648493 ILXHQLVREXOKKY-UHFFFAOYSA-N 449.419 4.398 5 20 IIBD COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(O)c1 785688222 FMZWRAOQCQRHPE-UHFFFAOYSA-N 441.827 4.467 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1 786288042 USOFMDRSIPVNFK-BLLLJJGKSA-N 439.331 4.456 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N(Cc1cccc(Br)c1)CC1CC1 789688611 LMQMXAIHUXIWGU-UHFFFAOYSA-N 434.246 4.318 5 20 IIBD COc1cc(C(=O)N2CCC([C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)cc([N+](=O)[O-])c1C 790523484 KNPWWYWDBLRJHE-SFHVURJKSA-N 447.532 4.164 5 20 IIBD O=C(COC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccc(Cl)cc1Cl 790746399 SDZYOTKSEJXSGN-UHFFFAOYSA-N 435.622 4.419 5 20 IIBD COc1cc(C(=O)N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)cc([N+](=O)[O-])c1C 790839822 VOHBGQRYJFLTEH-UHFFFAOYSA-N 435.521 4.021 5 20 IIBD C[C@@H](CCOc1ccccc1)C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791166291 HJPAEIJWSXRZQL-AWEZNQCLSA-N 433.302 4.347 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791174209 JCCRXIAHJPZIPI-UHFFFAOYSA-N 446.213 4.210 5 20 IIBD Cc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)C3CCCC3)ccc2F)cc1[N+](=O)[O-] 797462845 ROFRQLRBSBMMHV-AWEZNQCLSA-N 434.489 4.250 5 20 IIBD O=C(O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)c1cn2cc(Cl)cc(Cl)c2n1 799625246 DYFUOHFUGPBWLC-LBPRGKRZSA-N 439.230 4.124 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)OC[C@H]2CCCSC2)cc1[N+](=O)[O-] 806044837 NECSDVXTRURPMC-OAHLLOKOSA-N 428.510 4.192 5 20 IIBD COc1cc(C)c(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c(C)c1C 808116240 MBYZIUQQPXHNTL-UHFFFAOYSA-N 429.292 4.092 5 20 IIBD C[C@@H](C(=O)N1CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccc([N+](=O)[O-])cc1F 810948137 YUPFKLZQWJVENN-NVXWUHKLSA-N 449.523 4.333 5 20 IIBD COc1ccccc1[C@H](C)N(C)C(=O)COC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811374290 DZBVCTDVIVUGQQ-NSHDSACASA-N 441.267 4.287 5 20 IIBD C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(N2CCCOC2=O)cc1 814356572 YMLUDLNCUVXRMF-MRXNPFEDSA-N 438.484 4.033 5 20 IIBD O=C(OCc1noc(-c2ccc(F)cc2F)n1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 815511698 TXBICQVLWYWSQN-UHFFFAOYSA-N 429.257 4.299 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(N2CCCOC2=O)cc1 817289731 BYHIPHAKOYCDMN-LBPRGKRZSA-N 435.383 4.034 5 20 IIBD C[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 841974893 JCQAGNOBCFJPFI-ZLGIVVLRSA-N 446.547 4.027 5 20 IIBD CCCN(C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)[C@@H]1CCc2ccccc21 914511770 BAWDSPQJUKGWMK-OXQOHEQNSA-N 425.460 4.013 5 20 IIBD O=C1C[C@H](C(=O)N(Cc2cccc(F)c2)C2CCCC2)CN1c1ccc(F)c([N+](=O)[O-])c1 914517969 MYZLAXRPSNJTNW-INIZCTEOSA-N 443.450 4.197 5 20 IIBD C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 914796613 ACGQWBKGPUEOJE-AWEZNQCLSA-N 425.441 4.453 5 20 IIBD CCN([C@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 917915420 WAGDMWBIWJKWJL-LLVKDONJSA-N 431.283 4.268 5 20 IIBD Cc1ccc(Cl)c(O[C@H](C)C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 919447824 BVISHWRHOCLFNK-LLVKDONJSA-N 427.240 4.159 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NC[C@@H]2COc3ccccc3C2)cc1[N+](=O)[O-])c1ccccn1 919694575 YNPVOOQUBOWFFL-IAGOWNOFSA-N 432.480 4.144 5 20 IIBD COC[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 920887993 PKWBJCCUCPUMHE-GOSISDBHSA-N 425.529 4.066 5 20 IIBD CNC(=O)Cc1ccccc1NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 1317830376 WJDJCQGHPANUQA-UHFFFAOYSA-N 442.522 4.052 5 20 IIBD CC(C)(C)c1ccc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)nn1 1318961786 ICNBIZUZUUWLTD-UHFFFAOYSA-N 435.271 4.427 5 20 IIBD COc1cc(Br)c(OC)c(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)c1 1319500763 QNBZEUGAKXCPJW-UHFFFAOYSA-N 432.230 4.175 5 20 IIBD COc1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1Br 1338184836 AQPZWEQILQQCCD-VIFPVBQESA-N 429.654 4.425 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)OC[C@@H]1CCC(=O)N(C)[C@@H]1c1cccc(Cl)c1 1343293440 XXGLLADWQSAVCK-VBKZILBWSA-N 431.876 4.056 5 20 IIBD COc1ccc(NC(=O)N2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)c([N+](=O)[O-])c1 1517312210 DIKATYOPTFIYFV-KRWDZBQOSA-N 441.362 4.107 5 20 IIBD COC(=O)C[C@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1cccc(Cl)c1 1518404285 QNTHDYBRCPFDOZ-AWEZNQCLSA-N 441.665 4.045 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3F)CCC2)cc1)c1ccccn1 1787297171 QVSAASBYRHPCIM-UHFFFAOYSA-N 434.427 4.190 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(F)c4[N+](=O)[O-])CCC3)cc2)nc1 1787480674 APARLTQPYFSZNP-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD C[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1)c1ccccc1 1823488672 ZVDZVBAUXDCFQT-PBHICJAKSA-N 437.456 4.021 5 20 IIBD Cc1cc(C(=O)NCC(=O)Nc2nc(-c3cc4ccccc4o3)cs2)ccc1[N+](=O)[O-] 9873652 WDJHZRXPAZFPPV-UHFFFAOYSA-N 436.449 4.141 5 20 IIBD Cc1ccc(-c2nc(C)sc2CC(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 11214294 HRAPLRVXMYWCMG-UHFFFAOYSA-N 439.493 4.368 5 20 IIBD Cc1cc(C(=O)COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)n1C1CC1 11277947 KIGIPJYYWJVQJM-UHFFFAOYSA-N 428.488 4.334 5 20 IIBD C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1 12670755 GGCYXECASXGNGD-IRXDYDNUSA-N 426.469 4.120 5 20 IIBD COc1ccc2cc(CN(C)C(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)ccc2c1 15136527 VLYMAOGVVIFCMV-UHFFFAOYSA-N 449.463 4.103 5 20 IIBD Cc1ccc(N2C(=O)/C(=C\c3ccc(Br)c([N+](=O)[O-])c3)NC2=S)c(C)c1 15253701 FVDUIKKIBPNVHV-RIYZIHGNSA-N 432.299 4.236 5 20 IIBD Cc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1[N+](=O)[O-] 15409611 IFRAUFHBBOWNPJ-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD COc1ccc(Br)cc1CN(C)C(=O)c1cc(SC)ccc1[N+](=O)[O-] 17957872 JMUSZIYAJKSGHR-UHFFFAOYSA-N 425.304 4.360 5 20 IIBD CCOc1ccc(Nc2ccc([N+](=O)[O-])cc2Cl)cc1S(=O)(=O)N1CCCC1 18900272 PXJPBDFCLFNARY-UHFFFAOYSA-N 425.894 4.175 5 20 IIBD CCOc1ccc(Oc2ccc(NC(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)cc2)cc1 19628839 ABUFHYBIVKUGNY-UHFFFAOYSA-N 449.419 4.332 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(C2SCCS2)cc1 22525062 QQJJIFYVSJTNQR-UHFFFAOYSA-N 429.479 4.480 5 20 IIBD COc1ccc2cc(CN(C)C(=O)[C@@H](C)OC(=O)c3cccc([N+](=O)[O-])c3C)ccc2c1 22911819 QPLIIUKGHPHKJA-MRXNPFEDSA-N 436.464 4.269 5 20 IIBD Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)c2cc(C)[nH]c2C)n1 23454093 JPOPDDVTZBJKML-UHFFFAOYSA-N 431.495 4.496 5 20 IIBD COc1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)c([N+](=O)[O-])cc1OC 23996812 RMUYUQVIYAEFPN-UHFFFAOYSA-N 425.466 4.477 5 20 IIBD CCn1c(SCC(=O)Nc2cccc(C(=O)OC)c2)nc2cc3ccccc3cc2c1=O 24891964 ZUFHYTOALJGIMI-UHFFFAOYSA-N 447.516 4.087 5 20 IIBD O=C(COc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1)NCc1ccccc1 28609964 WXZDNMLPKQSWCY-UHFFFAOYSA-N 430.416 4.063 5 20 IIBD Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] 28810696 XAXWLHGMWSZRRY-UHFFFAOYSA-N 433.779 4.146 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)SCc1nc(=O)c2c(C)c(C)sc2[nH]1 32517218 URXJWEIGUOXGOO-LBPRGKRZSA-N 432.527 4.078 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCC(NC(=O)C4CC4)CC3)cc2[N+](=O)[O-])cc1 46718853 NTDDGOFSAIUYAM-UHFFFAOYSA-N 439.537 4.185 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(CN3CCC[C@@H](C)C3)cc2)cc1OC 60414129 XRBRRLKYMNNFJY-QGZVFWFLSA-N 441.528 4.164 5 20 IIBD COc1cc([C@@H](C)NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)ccc1OC1CCCC1 62047646 RCSUDPSYGRVCHS-MRXNPFEDSA-N 442.516 4.397 5 20 IIBD O=C(NCc1ccc(-n2ccnc2)c(F)c1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 63109504 ICMUOMZKYCMJRN-UHFFFAOYSA-N 445.454 4.462 5 20 IIBD COc1ccccc1-c1cc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)[nH]n1 64055686 IDYUHSKRURGOBU-UHFFFAOYSA-N 435.484 4.482 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCO[C@H](c3ccccc3)C2)cc1[N+](=O)[O-])c1ccccn1 64799573 DLZLKQPNZMOFHO-HXOBKFHXSA-N 432.480 4.377 5 20 IIBD O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])C1 108447374 VZNWMTFUURCUCY-LLVKDONJSA-N 439.697 4.261 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(CNc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)cc2)C[C@@H](C)O1 301458997 YCKPKBQGRMSIMQ-ZIAGYGMSSA-N 437.418 4.475 5 20 IIBD C[C@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)Oc1ccccc1Br 301527724 JVMMXHLAIJSKBJ-GFCCVEGCSA-N 436.262 4.193 5 20 IIBD O=[N+]([O-])c1ccc(NCc2cccc(S(=O)(=O)N3CCCCC3)c2)c(C(F)(F)F)c1 303116285 LITHAGUNOXJDNS-UHFFFAOYSA-N 443.447 4.400 5 20 IIBD C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 303189342 FHJMZLHNVFOVCJ-AWEZNQCLSA-N 435.484 4.039 5 20 IIBD COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)c1 409544608 LNWCGRQOWKGOSB-WBVHZDCISA-N 438.402 4.307 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cc(Cl)ccc1Cl 427056874 KTQDMGQXCWPQKJ-MRVPVSSYSA-N 448.209 4.319 5 20 IIBD O=C(NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 429193820 WOHGVOSUXADDDK-VWNXMTODSA-N 441.503 4.182 5 20 IIBD COCCOc1c(Cl)cccc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 429853363 JTVZOHKZXZLWNE-UHFFFAOYSA-N 429.654 4.288 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC(OCCc2ccccc2)CC1 429863134 WMKZAFRPACXUFI-UHFFFAOYSA-N 433.302 4.221 5 20 IIBD COC(=O)[C@@H]1CCO[C@H]1C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 430099488 LKWZVMKOEXLTCU-NQIIRXRSSA-N 430.526 4.113 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 430395103 DUUMHQVMARIGNY-OAHLLOKOSA-N 425.485 4.101 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 432434667 ZPVHSOXQMHNLRA-WAIKUNEKSA-N 449.467 4.239 5 20 IIBD CCOc1cc(C(=O)N[C@@](C)(CC)COc2ncccc2Cl)c([N+](=O)[O-])cc1OC 435452320 HPRDRCBABJAUSW-FQEVSTJZSA-N 437.880 4.028 5 20 IIBD O=C(NCCc1nc(-c2ccncc2)cs1)c1ccc2[nH]c3ccccc3c(=O)c2c1 436362516 FJRHUFKYLIOQLO-UHFFFAOYSA-N 426.501 4.172 5 20 IIBD Cc1ccc(NC(=O)NC2(c3noc([C@@H]4CCOC4)n3)CCCCCC2)cc1[N+](=O)[O-] 439301718 HEHKJBPDWNNHCV-OAHLLOKOSA-N 429.477 4.161 5 20 IIBD COc1ccc(OCCN2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c([N+](=O)[O-])c1 439733100 NNHMUSSHTKYSMG-MRXNPFEDSA-N 442.447 4.051 5 20 IIBD COc1ccc(N2C[C@H](C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc3)CC2=O)cc1 440603430 YWLDDMWYDVRVMO-LJQANCHMSA-N 445.475 4.190 5 20 IIBD CCOc1cnc(-c2noc(-c3ccc(N[C@H](C)c4ccccn4)c([N+](=O)[O-])c3)n2)cn1 445302588 SIPUSXBGOUKTPJ-CYBMUJFWSA-N 433.428 4.069 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1ccc(F)cc1)C1CCCCC1 446551641 PLRMCAHTFXUELH-UHFFFAOYSA-N 429.448 4.043 5 20 IIBD C[C@@H]1C[C@H]1[C@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(Cl)cc1 461420219 WECMEIVZWZQEDK-FRGNPEFRSA-N 436.295 4.145 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[C@](CO)(c2ccccc2)C1 461931277 IBMROKRJOPXDKB-FQEVSTJZSA-N 428.286 4.046 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1ccc(OC2CCCC2)nc1 462541528 DSPKACKFCRZQFL-UHFFFAOYSA-N 446.312 4.097 5 20 IIBD COc1ccc2c(c1)N(C(=O)c1ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n1)CCO2 464380892 WAXIFAXFPBRCKM-UHFFFAOYSA-N 449.250 4.135 5 20 IIBD CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 466781438 AQXOOILQFXIXLE-UHFFFAOYSA-N 436.917 4.260 5 20 IIBD Cc1sc(S(=O)(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)cc1[N+](=O)[O-] 466960987 ZZBFSXQDZWCRRO-HHHXNRCGSA-N 436.536 4.073 5 20 IIBD CC1(C)CN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C[C@@H]1O 468551304 CZIRLIKMHUBNAI-KRWDZBQOSA-N 429.523 4.199 5 20 IIBD Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)c2)cc1 473349852 YMRDTFYRNBLOFQ-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD CSc1nnc(CCCNc2ncc(Br)cc2[N+](=O)[O-])n1C1CCCC1 474780510 PRMQOUHQFHZBMB-UHFFFAOYSA-N 441.355 4.226 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(-c3ccccc3)ns2)ccc1[N+](=O)[O-] 475489392 ZUHVLTZNGFBRDI-IBGZPJMESA-N 436.493 4.270 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)cc1SC 475854931 WOYWMLDIIOXJLV-QGZVFWFLSA-N 440.880 4.332 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N(Cc1ccc2c(c1)OCO2)C1CCCCC1 476819263 BEDZPQDRBQQIAQ-UHFFFAOYSA-N 448.479 4.484 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(O)(Cc2ccc(F)cc2)CC1 479267308 SKCJBRQREHSRMV-UHFFFAOYSA-N 432.517 4.444 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@H](Cc2ccccc2)C(=O)OC(C)(C)C)cc1SC 479582133 USPBUNMCYFQNSS-MRXNPFEDSA-N 446.525 4.008 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 479779759 RSJKHUJJFPHDJF-HNNXBMFYSA-N 429.452 4.108 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)c1C 479991616 JVMNKEXDXDTXHB-UHFFFAOYSA-N 438.918 4.108 5 20 IIBD COc1c(C(=O)Nc2ncnc3c2c(C)c(C)n3Cc2ccccc2)cccc1[N+](=O)[O-] 484196645 CZQCUVBZPYBNMZ-UHFFFAOYSA-N 431.452 4.266 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2CN2CCC[C@@H](C)C2)cc1SC 484618806 WNFCYZIYPFLIJX-MRXNPFEDSA-N 443.569 4.487 5 20 IIBD COc1ccc(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1OC1CCCC1 485455740 UTTWRQACCAUJBK-UHFFFAOYSA-N 425.485 4.429 5 20 IIBD CN1C(=O)C[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccc(Cl)c(Cl)c1 485608684 NZNGBGDRAJFNDH-PIGZYNQJSA-N 426.231 4.199 5 20 IIBD CCCOc1ccc([C@@H](C)NC(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)cc1OC 486882191 HKWKQLRZGKPQQC-CQSZACIVSA-N 445.472 4.370 5 20 IIBD Cc1cc(CN2CCN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)CC2)on1 486896654 LIDKWHGRBQFEEZ-UHFFFAOYSA-N 438.509 4.000 5 20 IIBD Cc1cccc(COc2cccc(CC(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)c2)c1 486999800 PJWZIKSHEDTNCU-UHFFFAOYSA-N 434.496 4.085 5 20 IIBD O=C(Nc1cc(F)c(I)c(F)c1)c1cc2cc([N+](=O)[O-])ccc2o1 501828463 QWLXASFQTMHUGG-UHFFFAOYSA-N 444.131 4.476 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C)SCC(=O)Nc1ccc(F)cc1 502013690 KBKHDQSHJSZJDP-OAHLLOKOSA-N 433.505 4.231 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(N)=O)c(N2CCCCC2)c1 503084420 FIABWHRSHNWEOO-UHFFFAOYSA-N 442.541 4.438 5 20 IIBD O=C(Nc1nnc(CC2CCCCC2)s1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 504623336 YCBDSLCIWURXIP-UHFFFAOYSA-N 429.546 4.424 5 20 IIBD C[C@H]1c2ccsc2CCN1C(=O)c1ccc([N+](=O)[O-])cc1I 508803974 QMDZDICAMSEVLN-VIFPVBQESA-N 428.251 4.020 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1nccc2sccc12 509324914 QKIZFKLZKDWSHQ-UHFFFAOYSA-N 439.234 4.370 5 20 IIBD O=C(Nc1cc2ccc(Br)cn2n1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 511370668 IPHNWVYZKMBXBE-UHFFFAOYSA-N 429.152 4.276 5 20 IIBD O=C(CN[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 511557986 VRWMIGHZGGASDX-HXUWFJFHSA-N 435.402 4.123 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H](c1cccc2ccccc12)C(F)(F)F 511723045 YBTXVVWKHGAARR-FQEVSTJZSA-N 445.397 4.288 5 20 IIBD COc1ccc(S(=O)(=O)N[C@H](c2ccc(Cl)cc2)c2ccsc2)cc1[N+](=O)[O-] 512010861 XVOAVXHAHVPLGU-GOSISDBHSA-N 438.914 4.386 5 20 IIBD O=C(Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2)c1ccc([N+](=O)[O-])c2cccnc12 514874910 RKGTYTXCDFHZBD-UHFFFAOYSA-N 444.419 4.099 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 516272336 AUEZVTBPMLNIOO-UHFFFAOYSA-N 437.283 4.282 5 20 IIBD COC(=O)CN(C)C(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 516389425 VIFHBYORFYOZML-UHFFFAOYSA-N 428.388 4.010 5 20 IIBD CC[C@@H](NC(=O)c1ccccc1)c1noc(CSCc2ccc(OC)c([N+](=O)[O-])c2)n1 518258036 PMRKGZWFXKHVBD-MRXNPFEDSA-N 442.497 4.301 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 520050267 WCPFYPXRZYJDEY-KRWDZBQOSA-N 439.516 4.151 5 20 IIBD O=C(Nc1nnc(SCc2ccccc2)s1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 521385745 JONQSXZUNGKEFX-UHFFFAOYSA-N 438.494 4.177 5 20 IIBD COCCN(C(=O)CO[C@H]1CCC[C@@H](C)C1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 522157540 GAZHRUJMIKMXAC-QAPCUYQASA-N 433.530 4.293 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H]1C[C@@H]1c1c(F)cccc1F 522525431 KKDHSIFSVJUZRL-XHDPSFHLSA-N 429.345 4.366 5 20 IIBD COc1ccccc1[C@@H]1CCN(C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)C1 523126377 UQEXIKKTGSLXMD-HXUWFJFHSA-N 434.496 4.095 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1[N+](=O)[O-] 524639376 JKCFZCXFOSTXDV-ZLGUVYLKSA-N 440.521 4.091 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 525354743 WKWPDJWWYKJBTN-FQEVSTJZSA-N 435.883 4.493 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2nc(-c3cnn(C)c3)cs2)cc1[N+](=O)[O-])c1ccccn1 525758874 PBFBORPUMODDBG-CYBMUJFWSA-N 449.496 4.272 5 20 IIBD O=C(Nc1cccc(CS(=O)(=O)c2ccccc2)c1)c1c[nH]c2cccc([N+](=O)[O-])c12 535694522 GSQGAMIWUTZSHX-UHFFFAOYSA-N 435.461 4.302 5 20 IIBD CNC(=O)c1ccc(C)c(NCc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)c1 536107175 NVWCZOPPNSZWCM-UHFFFAOYSA-N 435.480 4.463 5 20 IIBD O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CCO[C@@H](c2ccc(F)c(F)c2)C1 537242169 TYEOJGLBNGOWJS-LJQANCHMSA-N 425.391 4.149 5 20 IIBD CSc1cc(CNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)ccn1 537920995 XGICZXPZJMHWRT-UHFFFAOYSA-N 438.296 4.134 5 20 IIBD CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 538424438 GFMIDRSFWLRZBQ-DIFFPNOSSA-N 430.354 4.181 5 20 IIBD COc1cc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1OCc1cccs1 538737119 FSLFBAMRCNLESZ-KRWDZBQOSA-N 440.525 4.325 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(OCC(=O)N(C)C)c1 539631180 UYHLLRBLJOJFCM-UHFFFAOYSA-N 431.514 4.206 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])Nc1cccc(CS(=O)(=O)c2ccccc2)c1 541284110 OTDLYINZGZFQNV-UHFFFAOYSA-N 442.518 4.300 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 541525778 GCPSESJUYAOQGU-KRWDZBQOSA-N 429.864 4.180 5 20 IIBD COc1ccc(CN(C(=O)N=c2cc[nH]cc2[N+](=O)[O-])[C@@H]2CCCC[C@H]2C)cc1OC 541907259 LOYLMEHKAKEJKI-CRAIPNDOSA-N 428.489 4.042 5 20 IIBD O=C(Nc1ccccc1C(=O)N1CCC(CCCO)CC1)c1ccc([N+](=O)[O-])cc1Cl 542096363 VUVQCAKWJDAWME-UHFFFAOYSA-N 445.903 4.125 5 20 IIBD Cc1c(Br)cc(C(=O)N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] 542559596 DXGLBCXZIODRCW-YJBOKZPZSA-N 437.265 4.455 5 20 IIBD O=C(N[C@H]1CCN(c2ccccn2)C1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 542652166 ZKBUORXYVGYSCW-KRWDZBQOSA-N 426.542 4.281 5 20 IIBD Cc1ccc(-c2noc(-c3nnn(-c4ccc(OC(F)F)cc4)c3C)n2)cc1[N+](=O)[O-] 544948973 HDEQIKBHDBJGNC-UHFFFAOYSA-N 428.355 4.111 5 20 IIBD Cc1nc([N+](=O)[O-])cn1Cc1nc(Cc2cccc(OCCCc3ccccc3)c2)no1 545749449 GINDWIAWMLBGME-UHFFFAOYSA-N 433.468 4.133 5 20 IIBD COc1cc(Br)ccc1-c1noc(-c2cc(OC)c(OC)c([N+](=O)[O-])c2)n1 545779394 MLVCMKFGDJKVEE-UHFFFAOYSA-N 436.218 4.100 5 20 IIBD Cn1c(SCc2ccc(C(=O)Nc3ccccc3)cc2)nc2cc([N+](=O)[O-])ccc2c1=O 545816368 DSHKFLGCRHTOKS-UHFFFAOYSA-N 446.488 4.386 5 20 IIBD O=C(CCC(=O)c1cccs1)CCc1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 546490452 HCKILZDWMPKGGN-UHFFFAOYSA-N 438.465 4.276 5 20 IIBD CCC[C@@H](NC(=O)c1ccccc1)c1noc(-c2cc(O)nc3ccc([N+](=O)[O-])cc23)n1 547193020 XYPWQZFDURBLNI-GOSISDBHSA-N 433.424 4.170 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N(Cc1ccc(-n2cncn2)cc1)C1CC1 549306090 KDFKAPOPPQPDDZ-UHFFFAOYSA-N 446.492 4.104 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 550661213 SDBSYEKLVQACCE-ZDUSSCGKSA-N 429.274 4.342 5 20 IIBD O=C(N[C@H]1CCN(c2ccccc2OC(F)F)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 551248503 FAIVYAYOEBYFGP-NSHDSACASA-N 445.344 4.224 5 20 IIBD CC(C)Sc1ccc([C@H](C)NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 553464402 IOHBKVINKWXYFB-INIZCTEOSA-N 441.553 4.464 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N(CC)CC(=O)Nc2ccccc2C(F)(F)F)c1 554884308 GNRWXUIODQQFSP-UHFFFAOYSA-N 439.390 4.113 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CNC[C@H]2CCO[C@@H]2c2ccccc2)c1 554975015 CXPDMIXFPVCCBB-CRAIPNDOSA-N 438.265 4.067 5 20 IIBD CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)C)C1 555375000 FIQWFIJNJSSSKV-HKUYNNGSSA-N 442.564 4.031 5 20 IIBD CS(=O)(=O)c1cc(CNc2ccc([N+](=O)[O-])c3cnccc23)cc(C(F)(F)F)c1 557688838 YGWCTIAXQLRAGA-UHFFFAOYSA-N 425.388 4.177 5 20 IIBD CC[C@@H](c1ccccc1OC)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 557858943 IAXRJJTUSYDJCL-HNNXBMFYSA-N 443.319 4.138 5 20 IIBD COc1cc(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc(OC)c1Br 558756682 KPRKWZHHXKIVKJ-UHFFFAOYSA-N 438.278 4.081 5 20 IIBD CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2CC)C1 572084188 XKIAZQGENDNZOV-OAHLLOKOSA-N 444.454 4.202 5 20 IIBD O=C(Nc1nnc(C2CCOCC2)s1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 575906807 FODZRIIXAXDGDL-UHFFFAOYSA-N 426.454 4.385 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)Nc2cccc(F)c2Cn2cccc(C)c2=O)cc1[N+](=O)[O-] 577677933 BSWMXUBQBNRJEB-MRXNPFEDSA-N 438.459 4.443 5 20 IIBD O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCCc2ncccc21 590654842 PAYOWSCDCXZXAF-UHFFFAOYSA-N 434.418 4.204 5 20 IIBD COC(=O)c1cc(C(=O)N[C@H](C)c2ccc(OC3CCCC3)c(OC)c2)cc([N+](=O)[O-])c1 603764942 QSZUCQQOYOENML-CQSZACIVSA-N 442.468 4.202 5 20 IIBD O=C(Cc1csc(-c2cc(Br)cs2)n1)NCc1ccccc1[N+](=O)[O-] 604094375 KBWABTZCKIXWJN-UHFFFAOYSA-N 438.328 4.401 5 20 IIBD Cc1ccc(OCCCCNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)cc1 608830916 JEWFUPCXYIWOCP-UHFFFAOYSA-N 428.876 4.374 5 20 IIBD COc1ccc(CC(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)cc1[N+](=O)[O-] 609017049 RGLOVGFONUZYPY-SFHVURJKSA-N 425.268 4.053 5 20 IIBD CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c(F)c1 609761479 QEHIQZSCTVFDKP-UHFFFAOYSA-N 445.428 4.285 5 20 IIBD Cc1ccccc1[C@@H](CC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)NC(N)=O 609762208 QEBBYSAKQSAUIZ-OAQYLSRUSA-N 434.452 4.434 5 20 IIBD O=C(C[C@H]1C=CCC1)Nc1ccccc1NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609762519 YBCWKQQGGTUDHX-AWEZNQCLSA-N 432.436 4.396 5 20 IIBD CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CCCc2ccc([N+](=O)[O-])cc21 609860629 CDDBFPQKOVHNSI-OAHLLOKOSA-N 448.566 4.239 5 20 IIBD O=C(N[C@@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccccc1 610066539 QKOQUSBNDOEJOE-HSZRJFAPSA-N 431.492 4.205 5 20 IIBD COc1cccc(CC2CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)CC2)c1 612217989 ZJPNGMMXJBTJQT-UHFFFAOYSA-N 437.540 4.301 5 20 IIBD CO[C@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1Cl 618822769 LYFUOCQUEDIHLJ-MRXNPFEDSA-N 431.798 4.454 5 20 IIBD CCCN(CC)c1ccc(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cn1 725970643 ZGJUILBNFTUKNA-CYBMUJFWSA-N 434.880 4.064 5 20 IIBD CC1CCN(c2ccc(C(=O)O[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cn2)CC1 727203822 SEPQYNXZVVQKPR-OAHLLOKOSA-N 437.456 4.194 5 20 IIBD CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 727564874 HHXQETBEKANJSD-UHFFFAOYSA-N 442.468 4.408 5 20 IIBD CC1(C)CN([C@H](CNC(=S)Nc2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2)CCO1 728789799 ITENKXOSHXIVIH-LJQANCHMSA-N 448.976 4.387 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 728932316 XBPLGJWMFPOYGX-OAHLLOKOSA-N 445.520 4.285 5 20 IIBD CC(C)Oc1ccc(S(=O)(=O)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ccccc12 730924858 KYJYFYJHCKWNQR-UHFFFAOYSA-N 448.884 4.307 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1c(C(=O)c2ccco2)oc2ccccc12 731958054 FUZBRFWPCDANTQ-UHFFFAOYSA-N 430.376 4.153 5 20 IIBD COc1c([N+](=O)[O-])cc(NCCc2ccc(F)cc2F)c([N+](=O)[O-])c1Br 732667166 JSWATRACEWVCRX-UHFFFAOYSA-N 432.177 4.207 5 20 IIBD O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 735802505 YEKVUCSZNJWZMB-VQHVLOKHSA-N 428.872 4.243 5 20 IIBD O=C(Nc1ccc(C(=O)OCc2cc(F)ccc2[N+](=O)[O-])c(O)c1)c1cc(F)cc(F)c1 741009295 DWZVZUKSGSDYJG-UHFFFAOYSA-N 446.337 4.327 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@@H](O)c3c(F)cccc3Cl)cc2[N+](=O)[O-])C1 741295424 GGDBOFXPZSXBGN-ARGWCVDVSA-N 449.910 4.333 5 20 IIBD COC(=O)C[C@H]1CN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c2ccccc21 741580912 GLRQYTJTIYUTQK-SFHVURJKSA-N 437.496 4.138 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1[N+](=O)[O-] 742029788 KKWRBCWWHUOPNI-UHFFFAOYSA-N 435.458 4.157 5 20 IIBD C[C@@H]1C[C@@H](c2ccccc2F)N(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 742332745 NXPXTYDNYOENPQ-BZNIZROVSA-N 443.294 4.268 5 20 IIBD CC[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)c1nc(C(F)(F)F)cs1 744721371 CMYHBLSACRZJMY-JTQLQIEISA-N 432.380 4.476 5 20 IIBD C[C@H](OC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 744741085 FRQZFQBMYDJSRJ-NSHDSACASA-N 449.250 4.271 5 20 IIBD O=C(OCc1nc(-c2ccc(F)c(F)c2)no1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 747119269 NRFDGNKWBSDPLM-UHFFFAOYSA-N 429.257 4.299 5 20 IIBD C[C@H](Nc1ccc(C(=O)n2ccc(=NCC(F)(F)F)cc2)cc1[N+](=O)[O-])c1ccccn1 747623556 LVLAWZUGAVHOFD-AWEZNQCLSA-N 445.401 4.116 5 20 IIBD Cc1c(C(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748715299 RDTMZIULAMZCDS-UHFFFAOYSA-N 428.832 4.453 5 20 IIBD COc1cc(C2(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CCC2)ccc1C 750176329 QHMAMEOYWQVXJL-UHFFFAOYSA-N 432.860 4.169 5 20 IIBD CC[C@H](Oc1ccccc1C)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 750468221 ZNNZGOIHIBBLEI-INIZCTEOSA-N 440.374 4.261 5 20 IIBD O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCC(OC[C@@H]2CCCO2)CC1 751340782 WLWSMVTUTVQECJ-FQEVSTJZSA-N 425.485 4.139 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])c(Br)cc2F)c(C)c1 751691614 KUOQSEVYTAQPGL-LLVKDONJSA-N 439.237 4.297 5 20 IIBD Cc1c(Br)cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)cc2F)cc1[N+](=O)[O-] 753429667 CHMFXKMGLWYARM-VIFPVBQESA-N 443.200 4.128 5 20 IIBD C[C@@H](OC(=O)c1c[nH]nc1-c1ccccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 756605396 PMQQZZKNMHYUTL-SNVBAGLBSA-N 449.250 4.476 5 20 IIBD Cc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2Br)c(Br)n1 756645289 PJMDJBJGJSVVKZ-UHFFFAOYSA-N 430.052 4.180 5 20 IIBD O=C(NCCCOc1ncc(C(F)(F)F)cc1Cl)c1cc(F)c([N+](=O)[O-])cc1F 757294055 ZCKWUWXGAITXBM-UHFFFAOYSA-N 439.724 4.139 5 20 IIBD CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 758346741 NGCOAYGZDAXZHE-CYBMUJFWSA-N 444.326 4.171 5 20 IIBD CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2cnc(C3CCC3)s2)NC(=S)N1C 760339313 QAOKMVWRDIYGCT-QGZVFWFLSA-N 443.554 4.093 5 20 IIBD CN(C(=O)c1ccncc1)c1ccc(-c2noc(COc3ccc([N+](=O)[O-])c(F)c3)n2)cc1 762112607 BZFDHGBAEJPUSZ-UHFFFAOYSA-N 449.398 4.035 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnccc2-c2ccccc2)cc1Br 762503270 OWLPQGJWVGRKRX-UHFFFAOYSA-N 434.271 4.220 5 20 IIBD C[C@H](NC(=O)COC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(OC(F)(F)F)cc1 763717671 PYHMXLNXKMFDDD-JTQLQIEISA-N 446.765 4.181 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1nnc(-c2ccccc2)s1 766685618 DNHKKEHHEADZGA-UHFFFAOYSA-N 427.485 4.417 5 20 IIBD O=[N+]([O-])c1ccc2nc(Sc3ccc(CN4CCCOCC4)cc3[N+](=O)[O-])sc2c1 768887716 FXNGNFHVQWZFFX-UHFFFAOYSA-N 446.510 4.486 5 20 IIBD C[C@@H](OC(=O)c1ccc(Br)c(Cl)c1F)C(=O)Nc1ccc([N+](=O)[O-])cc1 769524402 CGMOGHKGSNJKQF-MRVPVSSYSA-N 445.628 4.334 5 20 IIBD CC(=O)Nc1cccc(NC(=O)[C@H](OC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C(C)C)c1 769887946 MHCWJCVROUUDFL-OAQYLSRUSA-N 441.484 4.299 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2cnc(Cc3ccccc3F)s2)cccc1[N+](=O)[O-] 772824236 IQCODHGGDRMPDS-CYBMUJFWSA-N 443.456 4.274 5 20 IIBD COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 772870571 JWCZRRMJLKLDHT-SNVBAGLBSA-N 447.713 4.062 5 20 IIBD C[C@@H](C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1F 773459467 AOHSKBGCTLKSDV-SECBINFHSA-N 427.182 4.252 5 20 IIBD Cc1c(C(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])cnn1Cc1ccccc1 776134946 DMTKCOYCXWNXDR-QHCPKHFHSA-N 428.448 4.489 5 20 IIBD Cc1cc(C(=O)COC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c(C)n1Cc1ccco1 778170602 VKYNXPGMOLVIMT-UHFFFAOYSA-N 432.379 4.172 5 20 IIBD COCc1cccc(CC(=O)O[C@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])c1 778724961 PPBFUMIIJNOPLI-LJQANCHMSA-N 436.302 4.478 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)Cc1csc(NC(=O)c2ccccc2)n1 778760892 FFCWTIWDACNPLS-AWEZNQCLSA-N 425.466 4.459 5 20 IIBD Cc1cc(N2C[C@@H](C(=O)O[C@@H](c3cccnc3)c3ccccc3[N+](=O)[O-])CC2=O)ccc1F 780033097 RONWYXPVPFZCOA-SBUREZEXSA-N 449.438 4.123 5 20 IIBD COc1ccc([C@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2)cc1 781573235 YOHUFHPCIYRKAK-HSZRJFAPSA-N 435.436 4.350 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])O[C@H](c1cccc(F)c1)c1ccccn1 781799580 KUDFBWFUSHERQQ-OAQYLSRUSA-N 425.372 4.303 5 20 IIBD Cc1nn(-c2ccccc2)c2nc(C(=O)O[C@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)ccc12 783410621 UBVAIEPRGNWCMM-PMACEKPBSA-N 446.467 4.174 5 20 IIBD CSc1ccc(C(=O)N2C[C@H]3[C@@H](NC(=O)OC(C)(C)C)CCC[C@H]3C2)cc1[N+](=O)[O-] 784568486 XTLRFHXMYBKQRO-XHSDSOJGSA-N 435.546 4.082 5 20 IIBD Cc1cc(N2CCCC2)ccc1NC(=O)COc1cc([N+](=O)[O-])ccc1Br 786743848 JUTBRPMKMAUTMJ-UHFFFAOYSA-N 434.290 4.283 5 20 IIBD Cc1nc(Cl)ccc1NC(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 790252926 QJSUSDJKFUUYGR-UHFFFAOYSA-N 446.872 4.005 5 20 IIBD Cc1ccc(CN(C(C)C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)s1 790836971 VRUXMBDOPDECMT-UHFFFAOYSA-N 427.504 4.089 5 20 IIBD CSc1ccc(N(C)S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])cc1 795324349 FKDHZKRCUJQQOS-UHFFFAOYSA-N 435.296 4.043 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Oc2ccccc2CNC(=O)OC(C)(C)C)c1C 795986401 RELOZWNKYYGVFP-UHFFFAOYSA-N 436.486 4.004 5 20 IIBD CC(C)(C(=O)O[C@H]1CCCN(C(=O)c2ccccc2Cl)C1)c1ccccc1[N+](=O)[O-] 796874281 JTJNBUQPWSXCOQ-HNNXBMFYSA-N 430.888 4.374 5 20 IIBD COc1cc([N+](=O)[O-])ccc1COC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 797472737 PIFAAJABCBZKFN-UHFFFAOYSA-N 436.449 4.270 5 20 IIBD COCCCCN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Br)cn1 798242139 BVJXAEBJZZEFNI-UHFFFAOYSA-N 442.697 4.479 5 20 IIBD CC(C)(CC(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])CC(=O)c1ccccc1 799569142 NEKICMYHIGIHDX-UHFFFAOYSA-N 432.860 4.419 5 20 IIBD COCc1cc([N+](=O)[O-])ccc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2ccccc2)C1 799986251 FNGOYHOFMOIIDF-VQTJNVASSA-N 427.501 4.238 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@]2(CCN(Cc3ccc(Br)c([N+](=O)[O-])c3)C2)C1 801539994 FFACXUBHQSSFAL-IBGZPJMESA-N 440.338 4.190 5 20 IIBD O=C(CCCn1c(=O)oc2ccccc21)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811217714 XZWZGUFBFMGNPQ-UHFFFAOYSA-N 439.449 4.150 5 20 IIBD O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)Nc1cccc([N+](=O)[O-])c1Cl 813245514 TZLVZTCBGAVJAA-UHFFFAOYSA-N 440.868 4.325 5 20 IIBD O=C(OCc1ccccc1)c1ccc(CNC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1 813282103 KIOOTQMCHKCUBD-UHFFFAOYSA-N 426.375 4.160 5 20 IIBD CN(C)CCCOc1ccc(CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 813438978 DFDQOBDDELYENH-UHFFFAOYSA-N 426.300 4.162 5 20 IIBD Cc1cc(N2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 813626500 AGDWZNZBFUSDKG-PKOBYXMFSA-N 439.516 4.196 5 20 IIBD O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 814991872 AKYCUOCCFMDPSO-CYBMUJFWSA-N 437.880 4.437 5 20 IIBD C[C@@H](OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1Cl 849194108 AYLWLHLVLIVHPC-LLVKDONJSA-N 449.250 4.271 5 20 IIBD O=C1c2ccccc2NC2(CCN(c3ccc([N+](=O)[O-])cc3)CC2)N1Cc1cccnc1 877849748 GRPYXOONYVRWPB-UHFFFAOYSA-N 429.480 4.054 5 20 IIBD CCCCN(C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)[C@@H](C)c1ccc(C)o1 914519540 OYMAFVITFKUHBE-JKSUJKDBSA-N 431.464 4.378 5 20 IIBD COC(=O)c1cc(C(=O)OCC(=O)c2ccc(Oc3ccccc3)cc2)cc([N+](=O)[O-])c1 914887056 NZHSVVBGIMUWGP-UHFFFAOYSA-N 435.388 4.213 5 20 IIBD C[C@@H](OC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(=O)Nc1cccc(Cl)c1Cl 915513600 DTQCAHVYSPDDSL-LLVKDONJSA-N 449.250 4.271 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1CCN(C(=O)OCc2ccccc2)CC1 915638738 BBZITYYEVBOQFO-UHFFFAOYSA-N 445.903 4.255 5 20 IIBD C[C@H](NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 917703094 YVDOGXYZKATWQZ-JTQLQIEISA-N 429.376 4.491 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 917944105 DMINJTUVHYTFFO-UHFFFAOYSA-N 443.891 4.065 5 20 IIBD CNC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)ccc1Cl 918649116 CNVUGWWHIIIAGV-UHFFFAOYSA-N 430.892 4.096 5 20 IIBD CCC[C@H](NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)c1ccccc1 919225416 DXNOBHYQKKPSAR-KSSFIOAISA-N 429.429 4.014 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)ccc1OC1CCCC1 919448767 ZJYVDBZVIYMSOQ-CYBMUJFWSA-N 446.431 4.248 5 20 IIBD Cc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n(-c2ccc([N+](=O)[O-])cc2)n1 920814705 CWFJODPPTYJNMB-GFCCVEGCSA-N 445.819 4.057 5 20 IIBD O=C(C1CCN(c2noc3ccc(Cl)cc23)CC1)N1Cc2ccc([N+](=O)[O-])cc2C1 1261257391 QAOLRLQEOALBCJ-UHFFFAOYSA-N 426.860 4.148 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1Cc2ccc([N+](=O)[O-])cc2C1 1320365939 OPXUCQGBUAUJSI-UHFFFAOYSA-N 426.610 4.075 5 20 IIBD O=C(Nc1ccnn1Cc1ccc(C(F)(F)F)cc1)N1Cc2ccc([N+](=O)[O-])cc2C1 1320493289 LJNRKGRXLZQSEP-UHFFFAOYSA-N 431.374 4.406 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 1320542885 HZJJFPCYDCDDLZ-KRWDZBQOSA-N 444.919 4.193 5 20 IIBD Cc1nn(Cc2ccc(-c3nnc(-c4cnn(-c5ccccc5)c4)o3)cc2)c(C)c1[N+](=O)[O-] 1345529198 ORXDHLKIMLVTSS-UHFFFAOYSA-N 441.451 4.359 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N[C@@H]1CN2CCC1CC2 1347226999 LYUGDPWZQNNXTK-DILWRCETSA-N 448.548 4.346 5 20 IIBD C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1Cc1ccc([N+](=O)[O-])cc1Br 1349656764 SMTMLRZDMOJQIP-TZMCWYRMSA-N 428.327 4.235 5 20 IIBD O=C(CC1CC1)Nc1ccc(C2(NC(=O)Cc3cc([N+](=O)[O-])ccc3F)CCC2)cc1 1787820843 JJXALRATZAOXAX-UHFFFAOYSA-N 425.460 4.211 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@H]3CCc4ccccc43)CCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 1790188421 OXFBIQJPRBXYFK-FQEVSTJZSA-N 444.491 4.401 5 20 IIBD CC1(C)CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3F)n[nH]2)C1 1821051391 YKFUEQULHLWRPZ-SFHVURJKSA-N 443.479 4.199 5 20 IIBD C[C@H]1CC[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)[nH]n2)CC1 1822940628 YZXWPMPQEVMGCD-DZKIICNBSA-N 429.477 4.043 5 20 IIBD CC(C)(C)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2cc(F)ccc2[N+](=O)[O-])n[nH]1 1823486500 GTCVCNKTFBBOAO-SFHVURJKSA-N 445.495 4.128 5 20 IIBD C/C=C/C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3cc([N+](=O)[O-])ccc3s1)CC2 1825044186 DEAPQVVVFRWMOM-QAVQXKDTSA-N 442.522 4.068 5 20 IIBD Cc1cc(C)c(-c2csc(NC(=O)CNC(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)cc1C 9728245 RBIOVGFAUBONFC-UHFFFAOYSA-N 438.509 4.320 5 20 IIBD CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2F)nnc1-c1cccc(Cl)c1 9823198 XHAFYFKKNUULGM-UHFFFAOYSA-N 435.868 4.397 5 20 IIBD CCOc1ccc(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1OCC 10962377 ASYHZDNTSVZESC-UHFFFAOYSA-N 426.372 4.255 5 20 IIBD O=C(OCc1cccc([N+](=O)[O-])c1)/C(=C/c1cccs1)n1nnnc1-c1ccccc1 11100724 OXILUJUFMZJIJA-UYRXBGFRSA-N 433.449 4.051 5 20 IIBD COc1cc(COC(=O)CCc2nc3ccccc3s2)c([N+](=O)[O-])cc1OC(F)F 12719805 VHRHRKKGNXLQLI-UHFFFAOYSA-N 438.408 4.491 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Sc2nnc(Nc3cccc(F)c3)s2)c([N+](=O)[O-])c1 18466889 CAOVWUMIPPWKOV-JTQLQIEISA-N 449.489 4.457 5 20 IIBD CCc1ccc(-c2cc(NC(=O)COc3cccnc3[N+](=O)[O-])n(-c3ccccc3)n2)cc1 18532916 DANQVVLANJZJLL-UHFFFAOYSA-N 443.463 4.422 5 20 IIBD C[C@H](Sc1nc2ccccc2c2nc3ccccc3n12)C(=O)Nc1ccc(C(N)=O)cc1 21228120 GPTSIFQJCGCWRD-AWEZNQCLSA-N 441.516 4.254 5 20 IIBD CC(C)n1nccc1NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 22288605 DUAAOFNRNWNUIM-UHFFFAOYSA-N 425.411 4.246 5 20 IIBD NC(=O)COc1cccc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c1 30944615 FZMGSRGBRWPJHH-UHFFFAOYSA-N 441.827 4.157 5 20 IIBD COc1ccc([N+](=O)[O-])cc1OCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 32849691 QKBISQOVJCZLOG-OAHLLOKOSA-N 427.438 4.015 5 20 IIBD Cc1ccc(C(=O)NCCNc2ccccc2[N+](=O)[O-])cc1NC(=O)c1ccccc1F 33221750 BRUAKWDUTIGHQE-UHFFFAOYSA-N 436.443 4.137 5 20 IIBD C[C@@H](c1nc(C2CC2)no1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 59386026 AEGBYJSRVHZOIG-HNNXBMFYSA-N 439.541 4.463 5 20 IIBD C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 59813331 UOACQQRAWYJCAM-OAHLLOKOSA-N 437.427 4.242 5 20 IIBD COc1cc(OC)cc([C@H](Nc2ccc([N+](=O)[O-])cc2Br)c2nccn2C)c1 301376171 XQEPOWCOVLTDMC-SFHVURJKSA-N 447.289 4.310 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)C(c1ccccc1)c1ccccc1 303145316 LOKOFNKYJTZUDT-MSOLQXFVSA-N 431.492 4.050 5 20 IIBD C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1ccc2c(c1)CCCC2 303440658 BXFYVPFFQUXVHP-RDTXWAMCSA-N 427.526 4.017 5 20 IIBD Cn1ccnc1[C@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(Cl)cc1 426229745 IUDPERWSQXDEES-HXUWFJFHSA-N 439.903 4.445 5 20 IIBD O=C(O)[C@H](NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 426807743 OYZVILKNOHNWER-HSZRJFAPSA-N 428.448 4.363 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 427285624 XTCAJYUGLWMLIS-HXUWFJFHSA-N 434.427 4.264 5 20 IIBD C[C@H](NC(=O)Nc1ccnn1Cc1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 429733810 FJOLOHXCUXPNCV-ZDUSSCGKSA-N 444.289 4.485 5 20 IIBD Cn1cc(CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)Cc2ccc(Cl)cc2)cn1 430271572 VXCWDERVIZPVDT-UHFFFAOYSA-N 448.310 4.276 5 20 IIBD O=C1CCC(=O)N1c1ccc(C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)cc1[N+](=O)[O-] 431841300 DBSKXQBBWNHKHK-IBGZPJMESA-N 446.463 4.097 5 20 IIBD C[C@@H](NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C(=O)N1Cc2ccccc2C1 432166618 MNRLQPPDHIIKEN-MRXNPFEDSA-N 446.463 4.440 5 20 IIBD CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 437812067 VGSMIFGPYFHNFK-INIZCTEOSA-N 434.443 4.182 5 20 IIBD Cc1ccc(Sc2ccc(CN3CCCN(C(=O)C4CC4)CC3)cc2[N+](=O)[O-])cc1 438251359 ATPGLEGGPZIOOZ-UHFFFAOYSA-N 425.554 4.499 5 20 IIBD Cc1ccnc(-c2ccc(NS(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])cc2)n1 438777988 LGZIMRHLQROUSM-UHFFFAOYSA-N 439.280 4.468 5 20 IIBD CC(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1Cl 438803771 USFPTYWJZDAIDI-UHFFFAOYSA-N 438.676 4.314 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N(C)Cc2cnc(C(C)C)nc2)c([N+](=O)[O-])c1 440682517 WBYCITZUGVYRFM-UHFFFAOYSA-N 448.479 4.162 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCO[C@@]3(C[C@H]4CC[C@H]3C4)C2)cc1[N+](=O)[O-])c1ccccn1 440907500 KUVBAJJUIUFQBZ-CVINXBIPSA-N 436.512 4.194 5 20 IIBD Cc1ccc(NCCCNC(=O)Nc2ccc(Oc3nccc(C)n3)cc2)c([N+](=O)[O-])c1 441120469 FFUJUROMSRFSLH-UHFFFAOYSA-N 436.472 4.418 5 20 IIBD O=C(NC[C@]1(O)CCC[C@H](C(F)(F)F)C1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 444920104 KSJOBJOSZQCWRO-XPTSAGLGSA-N 429.317 4.219 5 20 IIBD Cc1cc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])ccc1C(=O)NC(C)C 446034540 CYMZLXUVWXUFBZ-UHFFFAOYSA-N 426.292 4.118 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cc([C@@H]3CCCO3)nn2C)cc1 447653275 LDUNSPBZYJOQDR-FQEVSTJZSA-N 438.440 4.233 5 20 IIBD CCCOc1cc(NC(=O)c2cnnn2-c2cccc(F)c2)c([N+](=O)[O-])cc1OCCC 448136555 HBPYRAOLASNPAF-UHFFFAOYSA-N 443.435 4.145 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CC[C@@H](COCc4ccccc4)C3)cc2)c(C)c1[N+](=O)[O-] 460510109 JIYHDDBMTVHMCU-JOCHJYFZSA-N 448.523 4.135 5 20 IIBD CC1(C)CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)[C@H]1C1CC1 460977923 HODOXCROLHSDID-SFHVURJKSA-N 425.451 4.477 5 20 IIBD O=C(Nc1cccc(F)c1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 463602272 VKRRFUBVNURPCS-UHFFFAOYSA-N 439.365 4.244 5 20 IIBD O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 463688462 UYTNHPOPYIQMJB-UHFFFAOYSA-N 446.511 4.149 5 20 IIBD CCCOc1cc(NC(=O)N2CC[C@H](C)[C@H](n3ccnc3)C2)c([N+](=O)[O-])cc1OCCC 469713722 XBRPFECCXVVECZ-QFBILLFUSA-N 445.520 4.484 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(O)(Cc2cccc(F)c2)CC1 474844119 PCIGOIWRDLCJOV-UHFFFAOYSA-N 432.517 4.444 5 20 IIBD CCc1c(C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)cnn1-c1ccc(Br)cc1 475307244 ABEORWBRONIHJV-UHFFFAOYSA-N 430.262 4.061 5 20 IIBD CN1CC[C@@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@H]1c1ccc(Cl)c(F)c1 477006608 XFFILJRDDOQCBN-RNODOKPDSA-N 430.867 4.291 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 478228593 YEUVRPQVIZJISS-AWEZNQCLSA-N 436.555 4.237 5 20 IIBD O=C1[C@H](Cc2ccccc2)N(C2CC2)C(=O)N1Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 479195960 FQAGJEFYFVXBKG-SFHVURJKSA-N 433.386 4.152 5 20 IIBD CCn1nc(C)c([N+](=O)[O-])c1N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 480095069 OLLYMRGVCLZPMG-UHFFFAOYSA-N 449.555 4.048 5 20 IIBD O=C(Nc1cccc(F)c1)c1cccc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1 483103178 WHBTVUDDRNHCBL-UHFFFAOYSA-N 445.410 4.424 5 20 IIBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 483164920 AVLPGCBXSFASFR-UONOGXRCSA-N 438.358 4.397 5 20 IIBD CCOC(=O)Cn1ccc2cc(NC(=O)c3cc(SC)c(OC)cc3[N+](=O)[O-])ccc21 483672759 QMHWMURIUKBPED-UHFFFAOYSA-N 443.481 4.095 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(Br)cc2)cc1SC 485189547 HGCHBZVLXFWYGW-UHFFFAOYSA-N 425.304 4.360 5 20 IIBD Cc1c(C2CCCCC2)noc1NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O 485512775 CGHSJSXTZMGBJY-UHFFFAOYSA-N 437.456 4.046 5 20 IIBD CO[C@@H](C)C(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c1 485967558 ONALPXNOLBRJCK-INIZCTEOSA-N 448.479 4.433 5 20 IIBD O=C(CNc1cc(Cl)ccc1OC[C@@H]1CCCCO1)N1CCc2ccc([N+](=O)[O-])cc21 488196004 RIIPXKZMIBMUPN-SFHVURJKSA-N 445.903 4.197 5 20 IIBD Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1C 488240578 UUTVWMUZVDUXHY-BEFAXECRSA-N 445.566 4.232 5 20 IIBD COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] 490769843 MKPQNQTYJNDPGV-MRXNPFEDSA-N 427.682 4.470 5 20 IIBD O=C(N[C@@H](C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccccc1)c1ccccc1 493325706 YQCZROROXYPVCX-JOCHJYFZSA-N 441.447 4.095 5 20 IIBD COc1ccc(CNc2cc(OC(F)F)n(C)n2)cc1OCc1ccc([N+](=O)[O-])cc1 494427846 ULLTYZCNPPDKLB-UHFFFAOYSA-N 434.399 4.129 5 20 IIBD COc1cc(C(=O)N2CCC(OC3CCCCC3)CC2)c([N+](=O)[O-])cc1OC(F)F 495635735 FQLHWJGELWVIIQ-UHFFFAOYSA-N 428.432 4.159 5 20 IIBD C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 497355085 QPCCBNIDMXAXCU-HUUCEWRRSA-N 433.455 4.083 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 497775931 OGJBZMXYCFJBHZ-UHFFFAOYSA-N 444.413 4.120 5 20 IIBD CCOc1ccc(C(=O)N2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1[N+](=O)[O-] 499233669 NXULVXNCHKBRCX-UHFFFAOYSA-N 446.891 4.027 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)cc1OC 499644680 ZKJLRMDYIWFREP-UHFFFAOYSA-N 425.397 4.100 5 20 IIBD C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 500347967 VPQIWHFHAZJLDC-OVLVRJBISA-N 443.466 4.204 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCC[C@@H]3[C@@H]3C[C@@H](C)CC[C@@H]3O)cc2[N+](=O)[O-])CC1 500349404 QZZNTLDYDVWDMW-YPIYEQTHSA-N 429.561 4.233 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCC2(C)CCOCC2)cc1[N+](=O)[O-] 500622132 BYBQSCFODSMNMD-UHFFFAOYSA-N 428.510 4.094 5 20 IIBD O=C(NC1CCN(c2nccs2)CC1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 500740236 LQHPXKWQMHZFPA-UHFFFAOYSA-N 438.509 4.029 5 20 IIBD CCCCOc1ccc([C@@H](C)NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1OC 501452430 KUDJLZKCBCUAKU-MRXNPFEDSA-N 438.484 4.459 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCCCC[C@H]2c2noc(-c3ccccc3)n2)c([N+](=O)[O-])c1 502013122 YQFANXQJQSDJOM-KRWDZBQOSA-N 442.497 4.259 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(F)c(I)c(F)c1 502632855 IAVVRRDVUCBKHJ-UHFFFAOYSA-N 447.179 4.142 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](CNC(=O)c2ccccc2)C1 503397217 GQTKFHCLASFBKC-KRWDZBQOSA-N 441.553 4.379 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1 503433895 UNIWRXHHMUMCDK-UHFFFAOYSA-N 449.554 4.098 5 20 IIBD COc1ccc(CSCC(=O)NCc2ccc(Oc3ccccc3)nc2)cc1[N+](=O)[O-] 503445465 FPIVIFBLICBWJQ-UHFFFAOYSA-N 439.493 4.340 5 20 IIBD O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCC[C@H]2c2cccc(Br)c2)cc1 503487240 KTFCKWIQNYJQOM-SFHVURJKSA-N 439.331 4.067 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(COc3ccc(-c4noc([C@H]5CCCO5)n4)cc3)n2)c1 504432420 YFAZQURSEMPCCT-QGZVFWFLSA-N 435.396 4.125 5 20 IIBD CCn1c(SCCc2c(C)nc3sccn3c2=O)nc2cc3ccccc3cc2c1=O 505445087 VRPLWZUUXUGSKD-UHFFFAOYSA-N 448.573 4.282 5 20 IIBD COc1ccc(CN(CC2CCC2)C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)c(OC)c1 511803676 AJNMWEUCCZLAMJ-UHFFFAOYSA-N 444.484 4.072 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2cccc(Nc3cnn(C)c3)c2)cc1[N+](=O)[O-] 511834349 KPAPWTPUPSONFE-UHFFFAOYSA-N 430.262 4.395 5 20 IIBD COCCN(Cc1ccccn1)C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 512083063 HYEPKVPTIXYAEH-UHFFFAOYSA-N 444.538 4.195 5 20 IIBD COC(=O)c1cnc(N2CCC(F)(c3ccccc3C(F)(F)F)CC2)c([N+](=O)[O-])c1 513060649 YTYJCKZBJAMPBP-UHFFFAOYSA-N 427.354 4.260 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 514641434 ZEVRPPFWIQIIJF-UHFFFAOYSA-N 443.459 4.303 5 20 IIBD CCCOc1ccccc1Oc1ncccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 515753045 SHVQQWARAWPNEW-UHFFFAOYSA-N 443.481 4.049 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(NC[C@H]3CCN(c4ccc(Br)cc4)C3)cc2N1 516547441 OHBYUWOLTGPCKE-CYBMUJFWSA-N 445.317 4.180 5 20 IIBD C[C@H](c1nnc(Sc2ncnc3sc([N+](=O)[O-])cc23)n1-c1ccc(F)cc1)N(C)C 516883503 BKGVEIVFUQNMKY-SNVBAGLBSA-N 445.505 4.093 5 20 IIBD O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 518746206 MGUVQJFUYLOXCO-GOSISDBHSA-N 435.358 4.188 5 20 IIBD CC(=O)Nc1cccc2c1CCCN2C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 520095401 NZIHDQQJMJOJPF-UHFFFAOYSA-N 437.374 4.087 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2 520963279 ZJSYLHYYROJQRT-UHFFFAOYSA-N 436.497 4.222 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc(OC(C)C)cc2C(F)(F)F)cc([N+](=O)[O-])c1 521526457 QHGDRIQPESYMKL-UHFFFAOYSA-N 426.347 4.440 5 20 IIBD CC[C@@H](C)Sc1ccc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c(C)c1 522695765 PXKCDQKNXNIBNL-CYBMUJFWSA-N 427.482 4.029 5 20 IIBD C[C@]1(c2ccc(OC(F)(F)F)cc2)NC(=O)N(Cc2ccc(Cl)cc2[N+](=O)[O-])C1=O 523810121 VEOVOJIICPKLRF-QGZVFWFLSA-N 443.765 4.114 5 20 IIBD O=C(NC1(c2cccc(Br)c2)CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 525372483 SHCUBMIWYVSUPU-UHFFFAOYSA-N 430.302 4.377 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@@H](C)Cc3nc4ccccc4s3)cc2)c(C)c1[N+](=O)[O-] 532354552 VUGDTWAHXYROCL-AWEZNQCLSA-N 449.536 4.427 5 20 IIBD CCc1cc(N2CCC(C(=O)Nc3ccc(O)cc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 533174253 UEXSLWQXGNOBHK-UHFFFAOYSA-N 447.495 4.175 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CCCC1 536102286 FSLZJRNPZIXLBR-OAQYLSRUSA-N 446.507 4.232 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnn(Cc3nnc(-c4ccccc4Br)o3)c2)c1 537556385 VCVGNHJLYDIYGF-UHFFFAOYSA-N 426.230 4.319 5 20 IIBD CC(C)[C@@H]1C[C@H](NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCO1 540123649 VBKFOBJGZDHQSJ-APWZRJJASA-N 443.466 4.150 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCCN1CCN(c2ccccc2)CC1 540439429 XMXJKHJZICDPAV-UHFFFAOYSA-N 442.585 4.037 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(C)c(NC(=O)c3ccncc3)c2)c1 540614063 AXNWBSPQRVXCPC-UHFFFAOYSA-N 434.452 4.267 5 20 IIBD COc1ccc2c(c1)C[C@H](C)N(C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)[C@H]2C 541022727 DLUFLLJZIWKLQS-GJZGRUSLSA-N 430.526 4.380 5 20 IIBD CCCOc1cc(NC(=O)N(C)[C@@H](C)C2CCN(C)CC2)c([N+](=O)[O-])cc1OCCC 541712768 BSRZYULZRPAOLF-INIZCTEOSA-N 436.553 4.366 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)c1 542729480 RSZSCHVTYNHOLM-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD COc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cc1[N+](=O)[O-] 542931591 FYEPNQMFFLHCAL-KRWDZBQOSA-N 433.464 4.248 5 20 IIBD CCOC(=O)c1cc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc([N+](=O)[O-])c1C 543032943 MZSUUNHRPRZUKI-UHFFFAOYSA-N 433.269 4.188 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)cc1[N+](=O)[O-] 543920830 MYMGPURCZKMAEJ-FQEVSTJZSA-N 439.855 4.101 5 20 IIBD COc1cc(Br)c(Cc2noc(-c3ccc(F)cc3[N+](=O)[O-])n2)cc1OC 544916938 IRWOPSMYINCUNU-UHFFFAOYSA-N 438.209 4.154 5 20 IIBD Cc1nn(C)c(C)c1C[C@H](C)c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 545007313 MGEKQVSDYTWMHZ-JTQLQIEISA-N 434.294 4.028 5 20 IIBD C[C@H](Nc1cnn(Cc2ccccc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 546527386 RGDFFIWNEOYCOK-ZDUSSCGKSA-N 433.390 4.298 5 20 IIBD O=C(Nc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1)c1ccncc1 550343310 YURILTADTODRMW-UHFFFAOYSA-N 444.369 4.191 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC[C@](O)(C(F)(F)F)CC1 553636231 PTIXTCIBVLDXRL-OAHLLOKOSA-N 434.212 4.189 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1 554454019 LOEKCVMPADVEBB-UHFFFAOYSA-N 425.420 4.368 5 20 IIBD CC(C)c1[nH]nc(C(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)c1[N+](=O)[O-] 557438783 UHRSFNLJOXRUNY-RISCZKNCSA-N 426.395 4.062 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 560755720 HBAWVYQZPPEVPE-XMMPIXPASA-N 448.548 4.457 5 20 IIBD O=[N+]([O-])c1cc2c(N3CCC[C@H](c4nnc5ccc(C(F)(F)F)cn45)C3)ncnc2s1 561102085 UTLVXPCWYRXYKI-JTQLQIEISA-N 449.418 4.045 5 20 IIBD CCOc1cc(CN[C@@H]2CC[C@H](F)C2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 573478489 NZQFURJNWKIJSO-RBUKOAKNSA-N 446.475 4.419 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2c2nc(-c3cccc(C(F)(F)F)n3)no2)ccc1[N+](=O)[O-] 589129243 ULCJXGJQCPVLJQ-OAHLLOKOSA-N 447.373 4.344 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@H](c2nc3ccccc3s2)C1 603777278 LTAKWYWTDOXGKF-HNNXBMFYSA-N 433.493 4.410 5 20 IIBD CC[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc(Cl)c1 604140561 ZBYGZLZPNOITIL-CYBMUJFWSA-N 427.791 4.056 5 20 IIBD CC(C)N(C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(F)cc1Cl 608799475 LOVCSKLAXBXIMP-UHFFFAOYSA-N 425.869 4.020 5 20 IIBD CC(C)(C)c1ccc(Cn2nccc2NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cc1 608933372 AXPJKAYIGKIDKJ-UHFFFAOYSA-N 436.468 4.161 5 20 IIBD O=C(NCC(=O)N1CCC[C@@H]1c1cccc2ccccc12)c1c(Cl)cccc1[N+](=O)[O-] 609494070 WOOPBPLHSFOQNG-LJQANCHMSA-N 437.883 4.495 5 20 IIBD COc1ccc(C(C)(C)C)cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 609496140 CEGHSZWSFBBDOP-HNNXBMFYSA-N 431.514 4.206 5 20 IIBD COc1ccc(CSCC(=O)N[C@H]2CCCN(c3ccc(F)cc3C)C2)cc1[N+](=O)[O-] 609757462 FDGQYQURTOGNJS-SFHVURJKSA-N 447.532 4.069 5 20 IIBD CCc1ccccc1N(C(C)=O)c1nc(Cn2cc([N+](=O)[O-])cc(Cl)c2=O)cs1 609905382 IHRLROUBAKCVIE-UHFFFAOYSA-N 432.889 4.162 5 20 IIBD Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)CCn3cc([N+](=O)[O-])nc3C)s2)cc1 610050909 QAHZRARAUQINKP-HNNXBMFYSA-N 427.530 4.450 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCc2ccccc2[C@@H]1Cc1ccccc1 611141963 WGTFUFZRKSQUKL-KOSHJBKYSA-N 443.503 4.082 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)N1CCO[C@@H](C(F)(F)F)C1 611208244 GLZJRRYUPDWPQT-QGZVFWFLSA-N 443.809 4.264 5 20 IIBD Cc1ccc(Sc2ccc(CN3CCOC[C@@H]3c3noc(C)n3)cc2[N+](=O)[O-])cc1 611532753 MLOCZEHGSICIJG-LJQANCHMSA-N 426.498 4.319 5 20 IIBD CN(C(=O)c1ccc(I)c([N+](=O)[O-])c1)[C@H]1CCCc2ccccc21 727754102 FTBBXWJRBHSLKC-INIZCTEOSA-N 436.249 4.349 5 20 IIBD O=C(OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1csc(-c2ccccc2)n1 730702869 FLIZONIYUSLTHG-MRXNPFEDSA-N 437.477 4.180 5 20 IIBD O=C(NCCc1ccc(Br)cc1F)c1cc([N+](=O)[O-])ccc1N1CCCC1 731013028 PABPOJAUXPGYOL-UHFFFAOYSA-N 436.281 4.069 5 20 IIBD Cc1ccc(-c2nc(COC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)cs2)o1 733559165 ONSDVGKDOQADSP-CYBMUJFWSA-N 447.494 4.029 5 20 IIBD C[C@H](Nc1cccc2c1CCN(C(=O)OC(C)(C)C)C2)C(=O)Nc1ccccc1[N+](=O)[O-] 734158765 UPLKFXQJCYMJPB-HNNXBMFYSA-N 440.500 4.327 5 20 IIBD CSc1ccc(C(=O)OC[C@H]2CC(=O)N(C)[C@H]2c2cccc(Cl)c2)cc1[N+](=O)[O-] 737383215 YONKRZJWSYYYLL-KUHUBIRLSA-N 434.901 4.347 5 20 IIBD O=C(NCCOC(=O)C1CCC(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1Cl 744066916 YDYVCYKBGFFZLH-UHFFFAOYSA-N 430.888 4.495 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1OC(=O)[C@H]1CCCO1 744372343 WYFZZWGCHLKBFD-MRXNPFEDSA-N 425.224 4.238 5 20 IIBD Cc1ccc(C2=CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cc1 746621677 WEQAZPWZVOYQKD-UHFFFAOYSA-N 426.416 4.400 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1ccccc1OC[C@@H]1CCCO1 747141596 IZJBDNAMXSSICZ-FQEVSTJZSA-N 443.499 4.456 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(N3CCc4sccc4C3)cc2)cc1[N+](=O)[O-] 748692604 OERLZMSSSSSABW-UHFFFAOYSA-N 445.522 4.028 5 20 IIBD C[C@H](OC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1nc2ccc(Cl)cc2n1C 750222873 SBEVAHMXDNIWKJ-LBPRGKRZSA-N 425.832 4.239 5 20 IIBD COc1cccc2c1OCC[C@H]2NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 751230630 BRQNFGSRVBDQSH-LJQANCHMSA-N 425.485 4.093 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCC1(c2ccc(Br)cc2)CCOCC1 751252879 ZFBUBSBVNIHEEW-XCVCLJGOSA-N 445.313 4.235 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)cc1[N+](=O)[O-] 752133837 DUTDTRNKDCBSFD-CQSZACIVSA-N 442.472 4.066 5 20 IIBD COc1ccc(C(=O)N(Cc2ccccc2)C[C@]2(O)CCc3ccccc32)cc1[N+](=O)[O-] 752462397 AKXDYIAQIMNCBY-RUZDIDTESA-N 432.476 4.080 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC[C@@H]1C[C@@H](O)c1cccs1 755016207 IBLIEINZJOZLEI-BXUZGUMPSA-N 443.294 4.286 5 20 IIBD CN(Cc1ccn(-c2ccccc2)n1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 755021217 BKMZOQSYRPGUPH-UHFFFAOYSA-N 430.262 4.207 5 20 IIBD Cn1ccnc1[C@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1F 755028930 IFOIZSIZCMMKAD-MRXNPFEDSA-N 448.252 4.141 5 20 IIBD Cc1ccc(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])cc1NS(=O)(=O)c1ccccc1 758419323 VLIQKHBUMDCVHG-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)C1(c2c(Cl)cccc2Cl)CC1 759430517 FZEUIRLUMPBWJE-UHFFFAOYSA-N 439.251 4.124 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCCc2ccc(Cl)nc2)cc1[N+](=O)[O-])c1ccccn1 760696289 ZAJLFDHBYOTYQG-CQSZACIVSA-N 425.876 4.184 5 20 IIBD Cc1c(C(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 760834712 HQUDMFSQXALGEM-LJQANCHMSA-N 426.816 4.379 5 20 IIBD O=C(Nc1ccc(O)c(-c2nc(Cc3ccccc3[N+](=O)[O-])no2)c1)OCC(F)(F)F 761347486 ZCYQTEUOVLWPOC-UHFFFAOYSA-N 438.318 4.052 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@@H](c2nc(-c3cc(F)cc(Br)c3)no2)C1 761663603 MQONMZHDBZPWNI-OAHLLOKOSA-N 433.193 4.412 5 20 IIBD CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)c1ccc([N+](=O)[O-])cc1Br 762660400 KLSRLJJDQWKLPF-GOSISDBHSA-N 439.281 4.328 5 20 IIBD C[C@@H](OC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N(C)Cc1ccc(Br)cc1 763401407 GHLYZWPWEBOFKD-ZIAGYGMSSA-N 449.301 4.051 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 764302035 GBWOMEKKRNAKEZ-MRXNPFEDSA-N 445.324 4.104 5 20 IIBD COc1cc(COC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c([N+](=O)[O-])cc1F 766178851 OQNZOQVQBNMVIN-UHFFFAOYSA-N 436.342 4.352 5 20 IIBD O=C(Oc1ccc(Oc2ccccc2)cc1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 766327347 COYYYPZEQPSKMZ-UHFFFAOYSA-N 432.388 4.260 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F 766800524 XETCUNFBBCHUAC-GOSISDBHSA-N 428.432 4.323 5 20 IIBD COc1ccc(OC)c2c1CN(Cc1ccc(-c3ccc([N+](=O)[O-])cc3)s1)C[C@@H]2O 768208164 OCTPHTOCWXLOHL-SFHVURJKSA-N 426.494 4.390 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)OCCCc3nc4ncccn4n3)cc2[N+](=O)[O-])cc1 768836633 GDELEFVVPLMFRZ-UHFFFAOYSA-N 449.492 4.282 5 20 IIBD CC(=O)[C@@H](Cc1ccc(F)c(F)c1F)OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 768878714 SEORTLMGIZTNPC-HXUWFJFHSA-N 439.389 4.456 5 20 IIBD Cc1ccccc1-c1nc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)no1 770370110 JIFNENSLLMLNBB-UHFFFAOYSA-N 435.484 4.120 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)n([C@@H]2CCN(Cc3ccccc3)C2)n1 772272122 MLXZDQJDLUPHRK-GOSISDBHSA-N 439.903 4.452 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cc1[N+](=O)[O-] 773597541 HVPXPRHBHIGNGZ-KRWDZBQOSA-N 446.548 4.397 5 20 IIBD CN(C)c1cc(F)c(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] 773857265 ZBCDTUICXUCLIX-UHFFFAOYSA-N 433.867 4.188 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)n(C)n1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 774846640 RBLCFEJRXULKNS-UHFFFAOYSA-N 427.436 4.107 5 20 IIBD C[C@H]1Cc2cc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3Br)cc(Cl)c2O1 775202469 SRLNAJSVNJEEBZ-QMMMGPOBSA-N 447.694 4.135 5 20 IIBD COc1ccc(-n2ccc(C(=O)O[C@@H](c3cccnc3)c3ccccc3[N+](=O)[O-])n2)cc1 776132733 KHOGYNGKKNUUPW-QFIPXVFZSA-N 430.420 4.131 5 20 IIBD NC(=O)c1ccc(SCC(=O)OC/C=C\c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 777356001 GUVVERVGOFSAHR-RQOWECAXSA-N 440.399 4.061 5 20 IIBD CCOc1cc(CN(C)C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)ccc1OC(F)F 777942401 XDSWZZBIJDMTHM-UHFFFAOYSA-N 430.354 4.345 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)Nc1cc(Cl)ccc1F 778890993 MFIQTGWUDDVCBA-QMMMGPOBSA-N 432.738 4.173 5 20 IIBD O=C(COC(=O)c1c[nH]nc1-c1cc2ccccc2o1)Nc1cc([N+](=O)[O-])ccc1Cl 781309511 YKOSYQFWHNPAPO-UHFFFAOYSA-N 440.799 4.180 5 20 IIBD Cc1cccc(CN(Cc2ccccn2)C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 781966813 XZWFSXFFUDJNIG-UHFFFAOYSA-N 434.452 4.368 5 20 IIBD CCOc1ccccc1-n1nnnc1SCc1ccc(Br)c([N+](=O)[O-])c1 788095688 FABHEGFTTHWBDP-UHFFFAOYSA-N 436.291 4.024 5 20 IIBD C[C@@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 790547525 WEKLFIXKXVTQQC-CHWSQXEVSA-N 443.903 4.082 5 20 IIBD C[C@@H]1C[C@@H]1c1ccc(CNC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)o1 790674345 RYICKVONBBJCPY-RISCZKNCSA-N 434.290 4.342 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1F)c1nc(Br)ccc1Br 791554818 GETWVMICHUAOFC-UHFFFAOYSA-N 434.015 4.011 5 20 IIBD CSc1cccc(C(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c1[N+](=O)[O-] 794036726 DWSYVYZPTIFMPJ-QGZVFWFLSA-N 443.525 4.095 5 20 IIBD Cc1oc(C(C)C)nc1C(=O)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 795361805 YUUXADFSXXUSOC-QGZVFWFLSA-N 429.473 4.256 5 20 IIBD O=C(NCCc1cccc(OCC(F)(F)F)c1)c1cccc([N+](=O)[O-])c1Br 796270636 XHKWQVIDOYQDQN-UHFFFAOYSA-N 447.207 4.271 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1cc(F)cc([N+](=O)[O-])c1Br 798016892 WZMXOIMAGXXGEN-QPUJVOFHSA-N 433.155 4.200 5 20 IIBD CC(C)(CC(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)CC(=O)c1ccccc1 799569863 HXLRGSCXWGJRQV-UHFFFAOYSA-N 432.860 4.419 5 20 IIBD O=C(OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Oc2ccccc2)cn1 799604659 PZPWBZOYNFEZEV-UHFFFAOYSA-N 441.827 4.022 5 20 IIBD COc1ccc(OC)c(CN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C(C)(C)C)c1 801708413 DWGDOMMEHRRKNP-UHFFFAOYSA-N 431.445 4.270 5 20 IIBD CC(=O)Nc1cccc(-n2nnnc2SCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 809955906 WYNCNNHXHKOTIB-UHFFFAOYSA-N 439.284 4.128 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)c2ccc(C(F)(F)F)nc2Cl)c1 811043235 AWMBVACMJZAYKV-UHFFFAOYSA-N 434.779 4.424 5 20 IIBD CCOc1ccc([C@H](O)C2CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)cc1 812864996 WIYNZQAQXQTUDL-DEOSSOPVSA-N 441.528 4.076 5 20 IIBD CC1(NC(=O)OC(C)(C)C)CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 813530857 SEKBTPYQEUAIOB-UHFFFAOYSA-N 432.304 4.421 5 20 IIBD C[C@H](N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-n2cccn2)c(F)c1 815155874 ZBEGULBOWNLBOI-QWHCGFSZSA-N 431.855 4.251 5 20 IIBD C[C@@H](OC(=O)c1cnc2c(F)ccc(F)c2c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 815355834 SEUHQLQXPJCKTB-SECBINFHSA-N 435.770 4.259 5 20 IIBD Cc1cc(C)c2c3c(sc2n1)C(=O)N[C@@H](c1ccc(Br)cc1[N+](=O)[O-])N3 877846402 XFDBRUAUCQBONJ-HNNXBMFYSA-N 433.287 4.438 5 20 IIBD CC(C)[C@@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)N1CCCC[C@H]1C 878472288 FZYMEXIVVAFQHO-IQGLISFBSA-N 434.536 4.124 5 20 IIBD Cc1sc(-c2ccco2)nc1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 913309691 VFSSUIUYIBKRQV-VIFPVBQESA-N 435.845 4.457 5 20 IIBD CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2csc([N+](=O)[O-])c2)NC(=O)N1CC1CC1 918076178 MAUSZZJOBJZLLI-SFHVURJKSA-N 430.461 4.184 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1 920299998 XHEGMDLAJYZSEP-UHFFFAOYSA-N 444.426 4.189 5 20 IIBD COc1ccc(-c2nc(COC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)co2)cc1 920551867 LIIRIABYQQIUOK-UHFFFAOYSA-N 434.408 4.016 5 20 IIBD COc1cc(F)cc(F)c1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1-c1cccs1 1251972273 ITYPPRHLXUGOKT-UHFFFAOYSA-N 427.406 4.378 5 20 IIBD CC(C)(C)OC(=O)Nc1cc(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)ccc1F 1256084126 KFMVAYUZGYOQMY-UHFFFAOYSA-N 448.455 4.146 5 20 IIBD Nc1c(C(=O)Nc2ccc(Cl)cc2OC(F)F)cc(Br)cc1[N+](=O)[O-] 1256685711 NKSOZVNTZLXTEA-UHFFFAOYSA-N 436.596 4.447 5 20 IIBD O=C(c1ccc(Cl)c(C(F)(F)F)c1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1319346714 OQARCYRYRDEFKG-UHFFFAOYSA-N 427.810 4.225 5 20 IIBD Cc1c(I)cccc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 1319952782 PDOMVVPEYWTGLP-UHFFFAOYSA-N 437.237 4.334 5 20 IIBD CS(=O)(=O)Nc1cccc(CNCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c1 1322600453 KZVFXKWMPCDCGE-UHFFFAOYSA-N 435.889 4.170 5 20 IIBD CC1=C(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccccc4[N+](=O)[O-])CCC3)cc2)CCO1 1788329617 VWKGWHPFNPUXKK-KPKJPENVSA-N 447.491 4.436 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1)c1ccc(Cl)nc1 1790183371 BCKKQIUWTNPYOM-UHFFFAOYSA-N 439.859 4.033 5 20 IIBD Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc4ccccc24)C3)ncc1[N+](=O)[O-] 1797070787 MDXBZFAJOGNQHG-REPLKXPHSA-N 444.491 4.017 5 20 IIBD CC/C=C(\C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc([N+](=O)[O-])c(O)cc2C)CC1 1832519712 SMRPRQGGSIKQBD-FALBMNKOSA-N 443.544 4.198 5 20 IIBD Cc1ccc(CC(=O)N2CCCC23CN(C(=O)c2cccc4ccccc24)C3)cc1[N+](=O)[O-] 1845205227 FOJSFZSCAPUGEB-UHFFFAOYSA-N 443.503 4.116 5 20 IIBD Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 10696595 HSBMFTOBTZYVDA-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD O=C(CSC1=Nc2ccccc2CS1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 11232184 CHPSVTYCUXICHZ-UHFFFAOYSA-N 431.495 4.362 5 20 IIBD Cc1ccc(C)c(NC(=O)COC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 18968574 NOYQTUBXVDZCDD-UHFFFAOYSA-N 439.390 4.214 5 20 IIBD COc1ccc(F)cc1C(=O)O[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 23578071 RSEKRFKIURQNPD-NSHDSACASA-N 445.428 4.050 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccccc1[N+](=O)[O-] 24482997 CDNYDMBKVMUQJQ-KBXCAEBGSA-N 434.876 4.215 5 20 IIBD CCOC(=O)c1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)sc2c1CC(C)(C)NC2(C)C 38806274 SRDKYQZNJFWOEW-UHFFFAOYSA-N 445.541 4.174 5 20 IIBD CCN(CC)CCn1c(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)nc2ccccc21 104788783 NBFMUXZCTFNFLK-INIZCTEOSA-N 441.557 4.406 5 20 IIBD COc1ccc(OC(=O)c2ccccc2OCc2cn3cccc(C)c3n2)c([N+](=O)[O-])c1 105513422 DWWVFBDSIDMXNG-UHFFFAOYSA-N 433.420 4.358 5 20 IIBD COc1cc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)ccc1OC1CCCC1 107883076 LJABMIPEDDIUIL-HNNXBMFYSA-N 427.501 4.482 5 20 IIBD COc1ccc(C2=NN(C(=O)CNc3cccc([N+](=O)[O-])c3C)[C@H](c3ccco3)C2)cc1 115089997 DLBFAEHKBMHTBS-NRFANRHFSA-N 434.452 4.295 5 20 IIBD O=c1c(Cl)c(NCc2c(F)cccc2OC(F)F)cnn1-c1ccc([N+](=O)[O-])cc1 301441835 VYSUHTJBTOISOG-UHFFFAOYSA-N 440.765 4.147 5 20 IIBD C[C@@H]1C[C@H](Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CCN1Cc1ccccc1 301557842 SXJNPADGSZHBSX-YLJYHZDGSA-N 433.512 4.024 5 20 IIBD CC[C@H](OC1CCCC1)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 303505952 NEQHDMSTSJJQFP-SFHVURJKSA-N 429.439 4.000 5 20 IIBD CCOc1cc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])cc1OC 303750463 LMZGXSSXJOBYGE-HKUYNNGSSA-N 441.528 4.127 5 20 IIBD CCN(C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)[C@H](C)Cc1ccsc1 426297998 HCNDPFWQCKIATK-CYBMUJFWSA-N 431.543 4.029 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H](c2ccc(Cl)cc2)c2cnccn2)cc1C 427272374 DOZLBWRUPNCXRF-FQEVSTJZSA-N 446.916 4.065 5 20 IIBD CN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@H](c1ccc(Cl)cc1)c1cnccn1 427451540 FEQBZTUIEYTLNW-OAQYLSRUSA-N 448.870 4.086 5 20 IIBD C[C@@H]1CCCN(Cc2ccc(NC(=O)COc3ccc([N+](=O)[O-])c4cccnc34)cc2)C1 427917900 WKLZNXKVIJVMDD-QGZVFWFLSA-N 434.496 4.392 5 20 IIBD CN(C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(S(C)(=O)=O)cc1 429054711 QIPFGQOKZSCHTG-UHFFFAOYSA-N 442.518 4.426 5 20 IIBD Cc1cc(N2C(=O)c3ccccc3C2=O)ccc1C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 430520579 OTDTTYXFIAVPRL-UHFFFAOYSA-N 443.459 4.369 5 20 IIBD O=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)c1cc(Br)cc([N+](=O)[O-])c1 431937770 MCASOMNUEBROSI-OAHLLOKOSA-N 439.237 4.307 5 20 IIBD CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 432338722 XVYAVDXIZWCPNQ-ASSNKEHSSA-N 429.860 4.068 5 20 IIBD CCc1cc(=NC(=O)c2ccccc2S[C@@H](C)C(=O)OC)c2cc([N+](=O)[O-])ccc2[nH]1 432992228 NJGNOYHUBCXEKU-ZDUSSCGKSA-N 439.493 4.033 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)c1cccc(OCc2ccccc2)c1 434561904 QNDHSIIIOHQFAS-QGZVFWFLSA-N 433.464 4.298 5 20 IIBD O=C(NCC1(c2ccccc2)CCOCC1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436108417 HYODVJLTRWHGMD-UHFFFAOYSA-N 448.469 4.438 5 20 IIBD COc1ccccc1-c1csc(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)n1 436602198 FCHRHYZQDXHPIH-UHFFFAOYSA-N 439.493 4.452 5 20 IIBD O=C(Nc1ncn(Cc2ccc(Cl)cc2)n1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437041667 WKRDTKONCWFVFP-UHFFFAOYSA-N 425.754 4.159 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H]2CC[C@@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] 438681438 PBVBIIMGDGOOIA-XKCSPQBFSA-N 435.524 4.035 5 20 IIBD CCCOc1cc(NC(=O)N2CCO[C@@H](c3ccco3)C2)c([N+](=O)[O-])cc1OCCC 441236567 ZKTNLTOZMHTAIS-HXUWFJFHSA-N 433.461 4.371 5 20 IIBD CC(=O)N1CC[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c2ccccc21 444255784 DXHXLSUTMSBHAS-HXUWFJFHSA-N 447.441 4.187 5 20 IIBD CN(C)CCCC1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 444295686 FEYYTXVLPVPYIR-UHFFFAOYSA-N 427.495 4.154 5 20 IIBD CC(C)(C)OCc1cc(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)no1 444333562 ZXHSDVDSEFGRNJ-UHFFFAOYSA-N 441.434 4.193 5 20 IIBD Cc1ccc(-n2nc(C)cc2NC(=O)Cc2noc(/C=C\c3cccc([N+](=O)[O-])c3)n2)cc1 445506919 SLVUFXNKRBJVHZ-FLIBITNWSA-N 444.451 4.132 5 20 IIBD CC(C)(C)c1ccc(-c2nc(CC(=O)NCc3ccc(F)cc3F)no2)cc1[N+](=O)[O-] 445833496 PEIRZCZEBQKLFZ-UHFFFAOYSA-N 430.411 4.079 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N(C)[C@@H](CCO)c2ccccc2)c([N+](=O)[O-])c1 446857477 VIZPXJFCGOCBJA-NRFANRHFSA-N 448.475 4.172 5 20 IIBD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2ccc(Cn3cnc4ccccc43)cc2)n1 447527674 GSNWHVTZAPFNHQ-FYYLOGMGSA-N 430.512 4.463 5 20 IIBD Cc1noc(-c2ccc(C(F)(F)F)cc2NC(=O)CCOc2ccccc2[N+](=O)[O-])n1 448454577 MDRNCZMENQVVKL-UHFFFAOYSA-N 436.346 4.380 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)c1 460706910 BRRWMPYACKNXAT-UHFFFAOYSA-N 447.419 4.235 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N(CCC(F)(F)F)CC3CC3)n2C[C@H]2CCOC2)c1 461369049 YXXFSJIUZLKGAJ-OAHLLOKOSA-N 439.438 4.059 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CCCOc2ccc(F)cc21 462518609 RKNSGWKTHXHHTE-CYBMUJFWSA-N 435.260 4.233 5 20 IIBD C[C@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)Oc1ccc(Cl)cc1 462937217 ZTFXSMKVEOZRMO-GFCCVEGCSA-N 435.267 4.327 5 20 IIBD CN(c1ccccc1)c1ccc(CN[C@H](CS(C)(=O)=O)c2ccccc2)cc1[N+](=O)[O-] 463056547 NMRGNCHFIZIDFV-OAQYLSRUSA-N 439.537 4.238 5 20 IIBD CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 463699451 QFRJPSKJPNNKBS-UHFFFAOYSA-N 426.281 4.271 5 20 IIBD CSc1cccc([C@@H](NC(=O)CCn2cc([N+](=O)[O-])nc2C)c2ccc(F)c(F)c2)c1 464127647 AOFRUAHMVVXRKZ-OAQYLSRUSA-N 446.479 4.396 5 20 IIBD Cn1c([C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])c2ccccc2)nc2ccccc21 465806088 PUZVIBVTVFCKJT-JOCHJYFZSA-N 429.480 4.113 5 20 IIBD CN(C(=O)Cc1ccc(NC(=O)NCCc2ccccc2[N+](=O)[O-])cc1)c1ccccc1 466142948 PMJVQGDGZOMRFD-UHFFFAOYSA-N 432.480 4.165 5 20 IIBD COC(=O)c1cccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1OC(C)C 466652262 UHMNGUVZIFKAQB-UHFFFAOYSA-N 437.246 4.183 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)[C@H](Nc1cnc(N3CCOCC3)c(Br)c1)CCC2 467432297 JMVQTMFJZGZTFU-GOSISDBHSA-N 433.306 4.078 5 20 IIBD C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc(Cc2nnc3n2CCCCC3)cc1 467519223 AUQLXARJIFROHT-KRWDZBQOSA-N 448.527 4.333 5 20 IIBD C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 469535871 RCMKCWYCALZIAV-KGLIPLIRSA-N 443.887 4.166 5 20 IIBD Cc1ccc([C@H]2OCCC[C@H]2NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 470072713 MFRSJTCJWVBYLU-DHIUTWEWSA-N 439.512 4.376 5 20 IIBD COc1cc(C(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)cc([N+](=O)[O-])c1OC 470242224 PSLQNLKPHUEPLE-CYBMUJFWSA-N 441.267 4.212 5 20 IIBD CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H]1CCCN(Cc2ccccc2)C1 470664785 BFKBPCUZWPDYNQ-KRWDZBQOSA-N 432.318 4.094 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 471870264 JPCGXIXDVCRMPG-SFHVURJKSA-N 438.292 4.365 5 20 IIBD COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)cc1 474099688 VOOBQLXKWIIXQM-KRWDZBQOSA-N 447.491 4.220 5 20 IIBD CCS(=O)(=O)Nc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 475214059 HXBOVDKANZFWQT-UHFFFAOYSA-N 432.380 4.019 5 20 IIBD Cn1cnc([N+](=O)[O-])c1CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 476512194 QCNLNOPJJXAYNA-UHFFFAOYSA-N 430.877 4.174 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(n3c(C)nc4ccccc43)CC2)cc1OC 477430460 HCSLDPSEUWLTPV-UHFFFAOYSA-N 438.484 4.138 5 20 IIBD CCc1c(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cnn1-c1ccccc1Cl 480242926 SWGUKTWTEBSQBL-UHFFFAOYSA-N 441.296 4.451 5 20 IIBD CC(C)n1cc2c(n1)C[C@@H](NC(=O)c1ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c1)CC2 481847791 PZSGDYWHFKAELF-QKLQHJQFSA-N 439.560 4.142 5 20 IIBD CC(=O)Nc1ccc(S[C@H](C)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 486737655 OBHJTVNAWBHQTH-LLVKDONJSA-N 441.431 4.369 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CNc3cc(Cl)ccc3OC[C@H]3CCOC3)n2)c1 488228544 WNBJFBYVTGVMEV-ZDUSSCGKSA-N 430.848 4.326 5 20 IIBD CCOC(=O)c1ccnc(N2C[C@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] 488702213 IOTYNHLXIVKONU-LRDDRELGSA-N 439.390 4.152 5 20 IIBD O=[N+]([O-])c1cc2c(c(C[S@@](=O)Cc3cc(F)c(C(F)(F)F)cc3F)c1)OCOC2 488865863 UADPGQAYVCYKEL-LJAQVGFWSA-N 437.342 4.207 5 20 IIBD CC(C)(NC(=O)N[C@@H](c1cncc(Br)c1)C1CC1)c1ccccc1[N+](=O)[O-] 491073643 DFNPQXKMDJSHKJ-QGZVFWFLSA-N 433.306 4.438 5 20 IIBD COc1cc([C@@H](NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C(F)(F)F)cc(OC)c1OC 491369636 VTPMESYJQPBEKJ-QGZVFWFLSA-N 443.378 4.354 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@@H](C)c2cnn(C)c2C)c([N+](=O)[O-])c1 493081664 SCRHELRRUYMADE-HNNXBMFYSA-N 443.529 4.025 5 20 IIBD C[C@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1nc2ccccc2n1C(F)F 497812049 LVQRHBPLJKKGQL-LBPRGKRZSA-N 441.394 4.144 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2nc(-c3ccncc3)cs2)cc1OC 498472222 KFYRJNWITOGHDC-GFCCVEGCSA-N 428.470 4.012 5 20 IIBD C[C@H](NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H](C)c1ccccc1C(F)(F)F 499428943 ZKVPVHJTCKXSMR-STQMWFEESA-N 438.402 4.236 5 20 IIBD O=C(CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)N[C@H]1CCOc2ccccc21 500540043 ZGNFKCLRUFHDCI-IBGZPJMESA-N 441.871 4.238 5 20 IIBD COc1cc(C(=O)NCC2CCC(F)(F)CC2)c([N+](=O)[O-])cc1OCc1cscn1 501178550 UFNKECKKQHXPIW-UHFFFAOYSA-N 441.456 4.194 5 20 IIBD Cn1cc(C(=O)N2CCC[C@H](Oc3ccccc3Cl)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 504678948 YPTSBARUTVHNHZ-KRWDZBQOSA-N 440.887 4.332 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1CN(C)CC(=O)Nc1ccc(Br)cc1C 506788788 IINOCXAYTVDIAF-UHFFFAOYSA-N 436.306 4.135 5 20 IIBD O=C(COc1c([N+](=O)[O-])cnc2ccc(Br)cc12)N1CCC[C@@H]2CCCC[C@@H]21 508162264 KHCZQQBQHUOIQU-GUYCJALGSA-N 448.317 4.466 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)cccc1[N+](=O)[O-] 511393948 LMNRTAYEWARFKV-RHSMWYFYSA-N 435.402 4.313 5 20 IIBD CCNc1ccc(C(=O)NC2CCN(Cc3coc(-c4ccccc4)n3)CC2)cc1[N+](=O)[O-] 513637529 KYKZDPNMIYOREA-UHFFFAOYSA-N 449.511 4.076 5 20 IIBD COc1cc(C(=O)N(Cc2ccccc2)c2ccccn2)c([N+](=O)[O-])cc1OC(F)F 514490161 COANOGKKOIOHBK-UHFFFAOYSA-N 429.379 4.447 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 516062089 SBWHDXKQVLPPNY-GOSISDBHSA-N 446.301 4.262 5 20 IIBD CN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(Br)cc1Cl 519158024 ZHXBTVUGBAOSGV-UHFFFAOYSA-N 435.665 4.473 5 20 IIBD Cc1cnc([C@@H](NCc2cc(I)cc([N+](=O)[O-])c2)C2CC2)s1 520461365 ADXDLYBEPBRRHN-AWEZNQCLSA-N 429.283 4.205 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N(C)Cc2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] 522582233 JPRFTXHYLGAWKQ-LJQANCHMSA-N 449.429 4.185 5 20 IIBD COc1ccc(CC[C@H](C)Nc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)cc1 522618894 QFKJWNRNDHFZLI-AWEZNQCLSA-N 428.876 4.236 5 20 IIBD O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1cnc2c(cnn2Cc2ccccc2)c1 523550384 IALHSWXOQURRON-UHFFFAOYSA-N 439.435 4.030 5 20 IIBD Cc1cc(C(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)ccc1[N+](=O)[O-] 523851129 MSVPFLVKXQRYCV-UHFFFAOYSA-N 446.301 4.157 5 20 IIBD Cc1ccc([C@@H](C)N[C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)cc1[N+](=O)[O-] 530727153 DGBRCCCVOJLMJI-CABCVRRESA-N 434.334 4.363 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 534697932 VUNVDBHFGLFUHH-UHFFFAOYSA-N 446.488 4.169 5 20 IIBD C[C@H]1CCCC[C@H]1OCCNC(=O)CSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 535506611 FBGNLHZQMYHYOA-HNAYVOBHSA-N 433.530 4.195 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3ccc(C(C)(C)C(=O)O)cc3)cc2[N+](=O)[O-])CC1 538504735 MRUPQPHHMAWBQW-UHFFFAOYSA-N 425.485 4.446 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(OCC(F)(F)F)cc2)c([N+](=O)[O-])c1 540362184 FBPLPBBOJPKQPD-CHWSQXEVSA-N 441.406 4.222 5 20 IIBD COC(=O)[C@@H]1CC12CCN(C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)CC2 541728612 NLQJDAJUWCXTFX-SFHVURJKSA-N 432.542 4.292 5 20 IIBD Cn1cnc(-c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)c2)n1 542173393 WQGNNCYUOZMCHG-UHFFFAOYSA-N 428.452 4.255 5 20 IIBD COc1ccc(C(C)(C)CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 544074011 RELNPNZBJRXLDE-UHFFFAOYSA-N 438.933 4.452 5 20 IIBD C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1ccc([N+](=O)[O-])cc1F 544444795 JIUPZZKQQNRENG-ZHRRBRCNSA-N 435.455 4.204 5 20 IIBD COc1cc(Br)c(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1OC 544507569 ZRDVFXQQJKEIEF-SECBINFHSA-N 427.226 4.256 5 20 IIBD O=C1C[C@H](c2noc(Cn3c4ccccc4c(=O)c4ccccc43)n2)CN1c1ccccc1 544933225 OOXXMSZOROIBHP-KRWDZBQOSA-N 436.471 4.107 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(Oc2cccc(Br)c2)CC1 545397867 XDEOYJMOGJNQRS-UHFFFAOYSA-N 448.317 4.148 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CCC[S@@](=O)c3ccc(Br)cc3)n2)c1 546939623 YCUBYXKBXFNHFE-AREMUKBSSA-N 436.287 4.148 5 20 IIBD COc1ccc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cc1Br 547242200 HEGUOWUNIPYCJN-UHFFFAOYSA-N 425.254 4.099 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)c1 549012426 KHLWZSYSBQWOMK-UHFFFAOYSA-N 431.404 4.046 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1cccc(OC(F)F)c1 551428435 STAYOBRWFGFBQX-GFCCVEGCSA-N 435.427 4.310 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCN(C(=O)Cc3ccccc3Cl)CC2)cc1[N+](=O)[O-] 552699046 BZAQZCQFPAYUGV-UHFFFAOYSA-N 443.931 4.073 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CC[C@H](COC(F)F)C3)cc2[N+](=O)[O-])n1 553534389 MDXYOWZBMNKZNI-NSHDSACASA-N 429.470 4.212 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)c1 554882527 XAYABNWYCOFURT-UHFFFAOYSA-N 445.273 4.253 5 20 IIBD Cc1n[nH]cc1C1CCN(C(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 557173868 ZQHOWKAFLVRDCS-IYBDPMFKSA-N 425.533 4.128 5 20 IIBD CC(C)(NC(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1)c1ccccc1[N+](=O)[O-] 557974585 JHNXOTZAVCEZOP-UHFFFAOYSA-N 445.545 4.264 5 20 IIBD CC(C)(NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1)c1ccccc1[N+](=O)[O-] 557979311 SKSUFURHXXIYIZ-OAHLLOKOSA-N 428.464 4.029 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 558839133 UYTBYQOQGICVHA-OAHLLOKOSA-N 442.470 4.035 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCC[C@@](O)(C(F)(F)F)CC1 561257723 WWNLHAHXJCIABI-FQEVSTJZSA-N 437.418 4.126 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)Cc1ncc(Br)cc1Br 573930702 YVWOVECWLSFJFA-UHFFFAOYSA-N 429.112 4.189 5 20 IIBD COc1ccc([C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])c2ccccc2Cl)c(C)c1 574048645 PIWGRRGRPMLRME-GOSISDBHSA-N 426.860 4.261 5 20 IIBD COc1cc(C(=O)N2CC[C@H](N(C)C)[C@@H]2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 590566189 GOQZVRVYQZTALR-BBRMVZONSA-N 433.892 4.214 5 20 IIBD CCCCOc1ccc([C@@H](C)NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1OC 603921054 MFOMRHBKQMNEKL-MRXNPFEDSA-N 438.484 4.459 5 20 IIBD CCN(Cc1ccncc1)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 603927641 VDXMMVKKZLVREY-UHFFFAOYSA-N 436.434 4.274 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c(Br)c1 608900603 NAESLLCAWYPFSW-SECBINFHSA-N 429.654 4.425 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 609467838 QENSXYJYKGEYAQ-UHFFFAOYSA-N 442.447 4.042 5 20 IIBD C[C@@H](c1ccccc1)N1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 610045586 IPOHZPBYUOBDCV-AWEZNQCLSA-N 432.318 4.313 5 20 IIBD Cc1ccc(NCCCNC(=O)c2ccc(NC(=O)c3cccs3)cc2)c([N+](=O)[O-])c1 610057062 VFAIYHXNBCZZLF-UHFFFAOYSA-N 438.509 4.449 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]1c1cccc2c1OCCO2 610063286 MWABQPMGVSTXAZ-MRXNPFEDSA-N 433.258 4.106 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 610069450 MHARMIYUELRIIY-SWLSCSKDSA-N 437.855 4.384 5 20 IIBD O=[N+]([O-])c1cc(CN2CCCN(C[C@H]3CCCO3)CC2)ccc1Oc1ccc(F)cc1 611254059 LDVVQPUHVWFLID-OAQYLSRUSA-N 429.492 4.213 5 20 IIBD CCOc1cc(CN2CC[C@@H](c3ccco3)C2)ccc1OCCn1c([N+](=O)[O-])cnc1C 611271329 RDIWCJWNUNXZNS-LJQANCHMSA-N 440.500 4.160 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O 611280866 ORXXTRQNEUUSDY-INIZCTEOSA-N 435.402 4.074 5 20 IIBD Cc1ccc(-c2nc(Cc3noc([C@H](C)NC(=O)c4cccc([N+](=O)[O-])c4)n3)cs2)cc1 612881809 IWQHVFLYYDBVJJ-AWEZNQCLSA-N 449.492 4.492 5 20 IIBD O=[N+]([O-])c1c(NCC2(c3ccc(Br)cc3)CCOCC2)nc2ccccn12 725790757 DBSCTKGCNDCBCM-UHFFFAOYSA-N 431.290 4.165 5 20 IIBD CC(C)(C)c1cc[n+](/C(C(=S)NC2CCOCC2)=C(/O)c2ccc([N+](=O)[O-])cc2)cc1 727813568 NYIKXUHTGLVBJW-UHFFFAOYSA-O 442.561 4.160 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@H]32)cc1SC 728462712 RNHJZQFGISCQBH-FUHWJXTLSA-N 427.526 4.082 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1SC 728651618 VATYUIFPKYJKNR-NSHDSACASA-N 438.889 4.013 5 20 IIBD C[C@@H](OC(=O)c1occc1CN1c2ccccc2C[C@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] 728687650 KJAFNCSOGBLMIH-HZPDHXFCSA-N 449.463 4.323 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N[C@@H](Cn2ccnc2)C(C)(C)C)cc1[N+](=O)[O-])c1ccccn1 729339511 YUFZBNCWCITPBT-IERDGZPVSA-N 436.516 4.204 5 20 IIBD C[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1)c1cccc([N+](=O)[O-])c1 729661106 ZFQUCPLAPRELEL-HOTGVXAUSA-N 432.498 4.076 5 20 IIBD Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 730505083 WBJBPWMILUQFGY-UHFFFAOYSA-N 432.484 4.375 5 20 IIBD O=C(OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 730613740 RATPFCRJYRRMHK-HZPDHXFCSA-N 435.263 4.138 5 20 IIBD O=C(OCCOc1ccc([N+](=O)[O-])cc1)c1cnn(-c2ncccc2Cl)c1C(F)F 730885982 MRYTVSRXJBZPHP-UHFFFAOYSA-N 438.774 4.002 5 20 IIBD CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C(=O)c1ccc([N+](=O)[O-])cc1F 731023915 IAZRVYIIBGXYQP-UHFFFAOYSA-N 429.448 4.352 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(Cc1ccccc1Cl)C1CCCC1 731632000 MZAIRYNBCFNHEY-UHFFFAOYSA-N 446.887 4.420 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc([N+](=O)[O-])c1 732332070 LXMSPZHDFMYPJE-NSHDSACASA-N 447.419 4.489 5 20 IIBD O=C(OCc1ccc(C(F)(F)F)cc1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 732497477 QTBYYLDRTCZFML-ZDUSSCGKSA-N 428.388 4.023 5 20 IIBD O=C(OCCOc1cccc2ccccc12)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 733558487 UYXXTWOLLSQWGN-KRWDZBQOSA-N 440.477 4.036 5 20 IIBD Cc1ccc(Nc2cccc(C(=O)O[C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c2)nn1 736875508 FWKWWEVKNBDFBT-AWEZNQCLSA-N 446.423 4.405 5 20 IIBD C[C@H]1c2ccc(F)cc2CCN1C(=O)c1cc([N+](=O)[O-])ccc1I 737698505 PAASBWGUQKPTBN-JTQLQIEISA-N 440.212 4.098 5 20 IIBD O=C(N[C@H]1CCCN(c2ccccc2Cl)C1)c1cc([N+](=O)[O-])ccc1Br 741585932 DDLNOQNJMNQDMR-LBPRGKRZSA-N 438.709 4.410 5 20 IIBD Cn1c([C@H]2CCCN2C(=O)c2ccc(Br)c([N+](=O)[O-])c2)nc2ccccc21 743653660 SZADBIWJOZSPGB-MRXNPFEDSA-N 429.274 4.221 5 20 IIBD CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2scnc2C)NC(=S)N1CC(C)C 743739009 HRMSHHHCOQGRLE-QGZVFWFLSA-N 445.570 4.160 5 20 IIBD O=Cc1ccc(OCC(=O)N2CCCN(Cc3ccccc3)c3ccccc32)c([N+](=O)[O-])c1 746284837 MLDVPJJJEDELDY-UHFFFAOYSA-N 445.475 4.230 5 20 IIBD CC(C)(CCCc1ccccc1)CNC(=O)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 751276349 YDYSSQZUBRZOLF-UHFFFAOYSA-N 443.456 4.053 5 20 IIBD O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 754629230 CMZISMBNVXOAIO-GCJKJVERSA-N 427.476 4.374 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2cc(Br)cnc2Cl)c2ccccc12 757362156 QSEXDAZESMMKBS-UHFFFAOYSA-N 443.662 4.327 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccsc2)cc1[N+](=O)[O-] 757438046 SMPPVDUXFHOHDS-HXUWFJFHSA-N 441.465 4.249 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 757539515 WZKIZBKSTYFVJH-UHFFFAOYSA-N 425.328 4.114 5 20 IIBD Cc1cc(F)cc(C(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)c1[N+](=O)[O-] 758430489 UEMVYYZZUVWVSV-CYBMUJFWSA-N 436.281 4.061 5 20 IIBD Cc1nn(CN2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c2cc([N+](=O)[O-])ccc12 761294160 ZEWHXQZNZJPKHL-UHFFFAOYSA-N 445.882 4.354 5 20 IIBD C[C@H](c1nc(-c2cccs2)no1)N1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 761505969 JUFSZXUHRHURSB-CYBMUJFWSA-N 433.921 4.239 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc2ccccc2cc1OC(F)F 761512104 WECKBINPZINLAA-UHFFFAOYSA-N 430.363 4.453 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1nc(Cl)ccc1Cl 762522080 TZQCZYKKWCIRQJ-UHFFFAOYSA-N 445.280 4.309 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCN(C3CCC(C)CC3)CC2)c1=S 764991655 ZFDGVRXMVVAFST-UHFFFAOYSA-N 444.605 4.163 5 20 IIBD O=C(Nc1ccccc1)c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 766540888 UGJQUWTVGYUJKY-UHFFFAOYSA-N 449.444 4.163 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Oc1cc(NC(=O)OC(C)(C)C)ccc1C 769670554 BCCPZVYDUPYQIB-UHFFFAOYSA-N 438.458 4.027 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)CCO1 770267463 GAWREJTWWPFXQC-NQIIRXRSSA-N 437.540 4.351 5 20 IIBD CN(C)C(=O)Sc1cccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])c1 770485400 VOUZJJHVPZCZEB-UHFFFAOYSA-N 430.305 4.445 5 20 IIBD O=C(COC(=O)c1ccc(Br)c([N+](=O)[O-])c1)Nc1ccc(Cl)cc1Cl 771808594 NVXXYQUYTOCABX-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CCc1c(C)nc3c4ccccc4nn3c1C)CC2 773989445 ININCSQROIVQSA-UHFFFAOYSA-N 429.480 4.238 5 20 IIBD C[C@H]1C[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCN1C(=O)OC(C)(C)C 775237504 PDSYMEJVYYADLP-RDJZCZTQSA-N 432.521 4.057 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 775534576 BTIFJZRZYQFYFC-OAHLLOKOSA-N 437.562 4.424 5 20 IIBD COc1ccc(C(=O)CCC(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])cc1F 776131908 BDCSQDVULRUPOU-QHCPKHFHSA-N 438.411 4.433 5 20 IIBD CC(C)(C)[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)OCc1ccccc1 777255055 DGAHZDXGRUFSJN-QGZVFWFLSA-N 449.301 4.245 5 20 IIBD Cc1cc(Sc2ncccn2)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C 777934387 YIUXLAIGPQUTBL-UHFFFAOYSA-N 434.474 4.093 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2cc(C)n(-c3ccc(Cl)cc3)n2)cccc1[N+](=O)[O-] 778145608 BOCIYBXZTXUYGH-AWEZNQCLSA-N 442.859 4.235 5 20 IIBD COc1cc(COC(=O)/C=C\c2ccc3[nH]ccc3c2)c([N+](=O)[O-])cc1OCC(F)F 780079527 CTPJKEPCKYBUPF-HYXAFXHYSA-N 432.379 4.485 5 20 IIBD O=C(COC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)Nc1ccc(OC(F)F)cc1 781261491 VVKXJWQBQAXNGM-UHFFFAOYSA-N 438.386 4.078 5 20 IIBD Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781636581 SPRCMWPUKHBWOT-UNMCSNQZSA-N 445.479 4.157 5 20 IIBD Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)OC(=O)c1cccc([N+](=O)[O-])c1Br 781675200 BSOHSHAECUNTKR-QWHCGFSZSA-N 435.274 4.088 5 20 IIBD Cc1ccc2c(COC(=O)c3cccc([N+](=O)[O-])c3Br)cc(=O)oc2c1C 781676279 OBMJGJVGSMHZMH-UHFFFAOYSA-N 432.226 4.438 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N[C@@H](CC(F)(F)F)c1ccc(F)cc1 781798218 OHZONQOVMJMWJC-HNNXBMFYSA-N 429.326 4.385 5 20 IIBD C[C@@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccc2c(c1)CC(=O)N2C 783245911 FCWAVZRYXOUPPR-MRXNPFEDSA-N 445.475 4.184 5 20 IIBD COc1ccc2c(c1)CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)CC2 784762098 CUUIKGDCGRVBIT-UHFFFAOYSA-N 439.693 4.260 5 20 IIBD CCN1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])cc(Br)c3C)cc2)CC1 785706340 STGWXEPTXXRHSC-UHFFFAOYSA-N 447.333 4.060 5 20 IIBD COc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)Cc1ccc([N+](=O)[O-])cc1Cl 785950051 RIAZAJXGLODWSV-JTQLQIEISA-N 427.240 4.023 5 20 IIBD COc1cc(C(=O)Oc2ccc(C)cc2Br)c([N+](=O)[O-])cc1OC(F)F 786647615 DEBTZRVFXZNIIC-UHFFFAOYSA-N 432.173 4.495 5 20 IIBD Cc1cnc(C(C)(C)NC(=O)Nc2ccc([N+](=O)[O-])c(I)c2)s1 787812248 OWHWNNXKZMVGGX-UHFFFAOYSA-N 446.270 4.021 5 20 IIBD C[C@H](Cc1ccccc1Br)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790558447 IERVRTRKCFZOLK-SNVBAGLBSA-N 429.673 4.440 5 20 IIBD COc1cc(C(=O)Nc2cccc3c2CCN3C(=O)OC(C)(C)C)cc([N+](=O)[O-])c1C 790761164 QZULAOQCCOBOIK-UHFFFAOYSA-N 427.457 4.462 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])cc(Cl)c1Br 792486892 JPPQBFJSTHHPTG-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD CC[C@](C)(NC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])c1nc(C)cs1 796624023 BNLJQPSGIQYBHI-KRWDZBQOSA-N 441.351 4.000 5 20 IIBD Cc1sc(Br)c(C(=O)O[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1C 799540774 OUMDPQMAIYXJJW-MRVPVSSYSA-N 445.266 4.359 5 20 IIBD O=C(OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)c2ncccc12 802078252 LHYVCFVBSFFVSQ-AWEZNQCLSA-N 439.855 4.258 5 20 IIBD C[C@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])[C@H](NC(=O)OC(C)(C)C)c1ccccc1 804175760 NTCMZIQTZNZEFK-UWJYYQICSA-N 441.528 4.498 5 20 IIBD COc1c([N+](=O)[O-])cc(NCCCc2cccc(C)n2)c([N+](=O)[O-])c1Br 804774571 OHXXBUVJRAUZCA-UHFFFAOYSA-N 425.239 4.022 5 20 IIBD COc1ccc2cc(NC(=O)C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)ccc2c1 810412165 ANGLBKCYZRIZBN-UHFFFAOYSA-N 444.241 4.096 5 20 IIBD O=C(OCCc1cncs1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 811124594 MSWGBKYXQJPDTF-UHFFFAOYSA-N 429.420 4.072 5 20 IIBD COC(=O)c1cc(-c2csc(NC(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])n2)c[nH]1 812857021 ZWMLYIIMNFKMAW-UHFFFAOYSA-N 441.252 4.392 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 813885279 RYWLWUKWODLZOU-WKILWMFISA-N 435.521 4.054 5 20 IIBD COC(=O)c1cc(S(=O)(=O)Oc2cccc(Cl)c2[N+](=O)[O-])c(Cl)cc1Cl 815057444 SOIIJFMIRKLQBA-UHFFFAOYSA-N 440.644 4.109 5 20 IIBD O=C(NCc1ccncc1)Nc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2Cl)c1 816916684 NQCJGPPCGWJXCR-UHFFFAOYSA-N 425.832 4.217 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C2)C1 817642635 XVHUVJCQWZAMSC-JKSUJKDBSA-N 435.496 4.233 5 20 IIBD CC(C)n1c2ccccc2n2c(SCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)nnc12 847237076 BQQCWFUREDVOLC-UHFFFAOYSA-N 428.449 4.043 5 20 IIBD CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)OC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 857831321 SECORPQMCYHZJV-GFCCVEGCSA-N 435.392 4.209 5 20 IIBD CC(C)(C)OC(=O)NC1(c2noc(-c3ccc([N+](=O)[O-])c4cccnc34)n2)CCCC1 904419924 UYSCKXUYWICPJO-UHFFFAOYSA-N 425.445 4.487 5 20 IIBD COc1cc(-c2noc(-c3ccc(NCc4ccccc4Cl)c([N+](=O)[O-])c3)n2)ncn1 904780171 QVRCFSZIXHESSN-UHFFFAOYSA-N 438.831 4.376 5 20 IIBD O=C(NCc1cccc(COCc2ccco2)c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 915199771 LMIBMWOIYWMFQI-UHFFFAOYSA-N 435.480 4.435 5 20 IIBD COC(=O)C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(OC(F)(F)F)cc1 916499421 UDXWFRDYJMXAGD-AWEZNQCLSA-N 446.765 4.181 5 20 IIBD COc1ccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1 916665221 JRDFBSQDCDHUNY-KBPBESRZSA-N 428.445 4.246 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccc(N3CCOC3=O)cc2)cc1[N+](=O)[O-])c1ccccn1 919754191 GLNLLQYKNUYDKR-HNNXBMFYSA-N 447.451 4.372 5 20 IIBD O=C1/C(=C/c2cc([N+](=O)[O-])ccc2OC(F)F)NC(=S)N1c1ccccc1Cl 920833550 KCXZFEFGCBZZIZ-WQLSENKSSA-N 425.800 4.112 5 20 IIBD C[C@H](Oc1cccc(Cl)c1)c1nnc(-c2cc([N+](=O)[O-])ccc2N2CCOCC2)o1 1117284328 KCRRXABAOXFXTL-ZDUSSCGKSA-N 430.848 4.275 5 20 IIBD CC[C@]1(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)CCN(C(=O)OC(C)(C)C)C1 1263291754 HLUCIQJTBZHNBH-QFIPXVFZSA-N 445.472 4.330 5 20 IIBD O=C(Nc1ccc(OC(=O)c2c[nH]c(Br)c2)cc1)c1cccc([N+](=O)[O-])c1 1321846970 IZUPWSFDGUYMBJ-UHFFFAOYSA-N 430.214 4.157 5 20 IIBD CNC(=O)Cc1ccccc1NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 1322734317 PVNIFCRTFXWSJN-UHFFFAOYSA-N 435.480 4.083 5 20 IIBD COc1ccc(-c2nnc(-c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)o2)cc1Br 1333079056 TVEXHGXMTIKNOW-UHFFFAOYSA-N 442.229 4.269 5 20 IIBD Cc1ccc2[nH]c(C(=O)OCCNC(=O)c3ccc([N+](=O)[O-])cc3Cl)c(Cl)c2c1 1342623212 NOJXHDJZIPZSMP-UHFFFAOYSA-N 436.251 4.278 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)NC1(c2ccc(NC(=O)c3cccnc3)cc2)CCC1 1787305504 BRCXFSZRXIAWIF-UHFFFAOYSA-N 446.463 4.065 5 20 IIBD Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)Cc4cccc([N+](=O)[O-])c4)CCC3)cc2)o1 1791944893 RRQVEFWQTLICNU-UHFFFAOYSA-N 447.491 4.416 5 20 IIBD C[C@@H]1CCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3cccc([N+](=O)[O-])c3)CCC1)C2 1797919930 RIWIGKGQSQGCLO-QKYBYQKWSA-N 439.556 4.091 5 20 IIBD CC(C)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)CC2 1825135649 OYYDZLCXKMJSQQ-MRXNPFEDSA-N 444.557 4.032 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCCCN2C(=O)C2CCCC2)CC1 1826251448 QDXKWNMEAOWJGD-HSZRJFAPSA-N 441.572 4.337 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)Cc1c(Cl)cccc1Cl 3488612 FOQQBSIUCFYNDF-SNVBAGLBSA-N 427.240 4.023 5 20 IIBD COC(=O)c1cc(C(=O)Nc2nc(-c3ccc(SC)cc3)cs2)cc([N+](=O)[O-])c1 11422569 OZRIOHMYXZZTLE-UHFFFAOYSA-N 429.479 4.479 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1ccc(OC(F)F)cc1 16014796 ULIUMKXJPBLGCD-UHFFFAOYSA-N 432.383 4.297 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCC(NC(=O)C(C)C)CC3)cc2[N+](=O)[O-])cc1 60424770 OIWKDGMGTOTIDX-UHFFFAOYSA-N 441.553 4.431 5 20 IIBD Cc1ccc2nc(-c3ccc(NC(=O)C(=O)NCc4ccccc4[N+](=O)[O-])cc3)sc2c1 62032568 PZQMRCBTSOYUSX-UHFFFAOYSA-N 446.488 4.435 5 20 IIBD O=C(Nc1cccc(Cl)c1-n1cncn1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 64908088 UKUDUHQSVYNRBU-UHFFFAOYSA-N 426.845 4.205 5 20 IIBD CCN(CC)[C@H](CNC(=O)c1cc(OC)ccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 65121501 XWHXZLHYBUBFBY-LJQANCHMSA-N 439.434 4.435 5 20 IIBD CN1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c(C(F)(F)F)c2)CC1 71925080 YBOMRUSWCKXFPE-UHFFFAOYSA-N 442.825 4.271 5 20 IIBD C[C@@H](Nc1ccc(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)cc1)c1ccccc1 108711079 AHXVBQLKBYRVBG-MRXNPFEDSA-N 446.463 4.132 5 20 IIBD O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 247359239 YXQZPWKRIVSJJT-UHFFFAOYSA-N 442.947 4.243 5 20 IIBD CNS(=O)(=O)c1ccc(N[C@H](C)c2sc(-c3ccccc3)nc2C)c([N+](=O)[O-])c1 301096204 NHRLMTPLYQKBCO-GFCCVEGCSA-N 432.527 4.108 5 20 IIBD O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCC[C@@H](c2nnc3ccccn23)C1 302848312 NJCXLTRTTFXYAS-GOSISDBHSA-N 442.479 4.401 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl 303805294 ATTZUTDVAKJLMM-JTQLQIEISA-N 449.838 4.338 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@@H]2CCc3ccc(-c4ccccc4)cc32)cc1[N+](=O)[O-] 427437994 BDVKDRLJIJVXRN-HXUWFJFHSA-N 431.448 4.013 5 20 IIBD COC(=O)c1cc(C(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)cc([N+](=O)[O-])c1 427590790 DJWDSENLTXUPDO-UHFFFAOYSA-N 431.448 4.248 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCc1cccc(N2CCOCC2)c1 432128558 GEZJTNCKLJIBTB-UHFFFAOYSA-N 432.349 4.093 5 20 IIBD Cc1cc2c(N3CCC[C@H]3C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)ncnc2s1 432306067 GAYMGQPGNADRIG-IBGZPJMESA-N 439.541 4.016 5 20 IIBD CC(=O)c1cc(Br)cc(Cl)c1OCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 432356240 HKHSIYBSPJWARR-UHFFFAOYSA-N 441.665 4.255 5 20 IIBD O=[N+]([O-])c1ccc2oc(CSc3nnc(CN4CCCC4)n3-c3ccccc3)nc2c1 434806676 IGQHHLNZQAIKQX-UHFFFAOYSA-N 436.497 4.205 5 20 IIBD COc1ccc(-c2ccc(CNC[C@@]3(O)CCC[C@H](C(F)(F)F)C3)o2)c([N+](=O)[O-])c1 436397912 BELQQEVPDBUVSQ-ORAYPTAESA-N 428.407 4.437 5 20 IIBD Cn1cc(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 437298989 OXXRVYPVTWCPCV-FUHWJXTLSA-N 441.285 4.044 5 20 IIBD CCc1ncsc1NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 437814036 IPITWPUXFZNENJ-UHFFFAOYSA-N 428.436 4.488 5 20 IIBD COc1ccc(Cl)cc1N1CC[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 438007214 AUXGDVVDVHJUGA-KRWDZBQOSA-N 444.919 4.210 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC(O)(Cc2ccc(F)cc2)CC1 444335537 ARYCKNXRLHDMPC-UHFFFAOYSA-N 430.479 4.030 5 20 IIBD Cc1cc(C[C@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n(-c2ccccc2)n1 448189839 NTLKRZCGJKTHFT-GOEBONIOSA-N 442.903 4.257 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCc4cc(F)ccc4C3)n2C[C@@H]2CCCCO2)c1 461819470 STRLMDRJFYLUEA-NRFANRHFSA-N 437.475 4.124 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCC[C@@](CO)(Cc2ccccc2)C1 461883767 OQUWZGAOSQZIPU-GOSISDBHSA-N 445.388 4.466 5 20 IIBD Cc1cc(=NC(=O)c2cccc(OCc3c(C)noc3C)c2)c2cc([N+](=O)[O-])ccc2[nH]1 462566636 BUTHHHPKKPTKIU-UHFFFAOYSA-N 432.436 4.309 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 462624096 MHHBTOZFZXNWLO-CYBMUJFWSA-N 426.441 4.143 5 20 IIBD O=C(NCCCNc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1cccc(Br)c1 462792066 NTTPOIOEZLDBIC-UHFFFAOYSA-N 444.232 4.191 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 463966097 SJANNMOZZZAPCR-OAHLLOKOSA-N 441.406 4.083 5 20 IIBD COc1ccc(O[C@@H](C)CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 464141953 NVHOKILMIHOSQL-KRWDZBQOSA-N 427.501 4.037 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](Oc3ccccc3Cl)C2)c2ncccc12 464192336 DMPMXSFHBLEPGH-AWEZNQCLSA-N 447.900 4.029 5 20 IIBD COc1cc(C(=O)NCc2ccc(C(F)(F)F)cc2C)c([N+](=O)[O-])cc1OC(F)F 467012219 BQGVSVFNGGFJEA-UHFFFAOYSA-N 434.317 4.462 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1nc(-c2ccc(Cl)s2)cs1 467106433 JZADGPDATKHAIQ-UHFFFAOYSA-N 437.886 4.386 5 20 IIBD COc1cc(CN2CCO[C@H](c3cccc(Cl)c3)C2)c([N+](=O)[O-])cc1OCC(F)F 467173779 DCQCPGWRQQFXKH-IBGZPJMESA-N 442.846 4.474 5 20 IIBD COc1cc(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc(OC)c1Br 467453987 BOTROWIHXXURFS-UHFFFAOYSA-N 444.669 4.350 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(-c3cc4ccccc4o3)s2)c(Cl)c1 469068357 VVKXTXIOZAJBLQ-UHFFFAOYSA-N 436.858 4.314 5 20 IIBD Cc1[nH]nc(C(=O)N[C@@H](c2cccc(F)c2)c2cccc(Br)c2)c1[N+](=O)[O-] 469147325 YQJQOAMTOPMEGH-OAHLLOKOSA-N 433.237 4.047 5 20 IIBD Cc1c(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cccc1C(F)(F)F 471856916 NDDOVQLYFROEJX-UHFFFAOYSA-N 437.403 4.454 5 20 IIBD C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)c2)C1 472723048 FFNLZYZZOZIMNJ-VBKZILBWSA-N 429.448 4.406 5 20 IIBD CCOC1CC(CCNC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 474920105 XQQDSLXNRSBRBQ-UHFFFAOYSA-N 443.466 4.151 5 20 IIBD CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cc1ccc([N+](=O)[O-])cc1F 477182998 QADNCCNQHKLJPR-UHFFFAOYSA-N 441.381 4.171 5 20 IIBD CN(CCNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C1CC1 479158955 GDBBNWFJRJPQTJ-SAPNQHFASA-N 436.537 4.346 5 20 IIBD CCc1cc(=N[C@H](c2nc(-c3ccncc3)no2)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 481978633 FAIMZFBFDDCIII-FQEVSTJZSA-N 445.483 4.290 5 20 IIBD COC(=O)c1c(NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])sc2c1CCCC2 482082380 YNMMDGXTLYUZAB-UHFFFAOYSA-N 436.511 4.305 5 20 IIBD CCc1c(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cnn1-c1ccccc1Cl 482710099 CXUSNIWGFBDYPU-UHFFFAOYSA-N 430.848 4.022 5 20 IIBD C[C@@H](N[C@@H]1CCCc2c(O)cccc21)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 484315362 YISYORKGAXGAIT-FZKQIMNGSA-N 438.509 4.418 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])c1 484881714 AKVWHAFOBVHENH-RYUDHWBXSA-N 427.379 4.180 5 20 IIBD CS(=O)(=O)c1ccc(N[C@@H]2CSc3ccc(Br)cc32)c([N+](=O)[O-])c1 486467591 JKBNMAKGAIGLQD-CYBMUJFWSA-N 429.317 4.020 5 20 IIBD COC(=O)c1cc(NC(=O)N2C[C@@H](C)C[C@H]2c2cccc(OC)c2)c(C)c([N+](=O)[O-])c1 486869705 CFZPOWWBCKPGBI-RBZFPXEDSA-N 427.457 4.313 5 20 IIBD O=C(N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2 487047400 ODWMXQNHJYRYFV-BAUKFBFWSA-N 426.439 4.104 5 20 IIBD Cc1cc(NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1Oc1ccncc1 487702156 SAHKVFUDFHWHNV-UHFFFAOYSA-N 440.843 4.112 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CC=C(c2c[nH]c3ncccc23)CC1 488303377 GGNBPSBVWPQAHH-UHFFFAOYSA-N 425.876 4.166 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCSC[C@H]1c1ccc(Cl)cc1 489896574 ADJQKAITXDESHW-IBGZPJMESA-N 428.901 4.364 5 20 IIBD COc1cc(CN[C@H]2CCN(c3cccc(Cl)c3)C2)c([N+](=O)[O-])cc1OCC(F)F 493709516 SQYWXDIOJPLUND-HNNXBMFYSA-N 441.862 4.269 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3SCCO)cn2)cc1 497645875 NSXXOEABEMPBCU-UHFFFAOYSA-N 425.466 4.427 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)NCc2ccc(F)cc2F)cc1[N+](=O)[O-] 498928239 HOUVYMRCOPIQOR-UHFFFAOYSA-N 439.418 4.100 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])c1ccc(Oc2cccc(Br)c2)nc1 500796931 SPTZRMOMSNIDBP-UHFFFAOYSA-N 428.242 4.475 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 502540151 LQNCALSOPSNZOL-UHFFFAOYSA-N 449.554 4.134 5 20 IIBD COc1cc(CSc2nnc(-c3ccoc3C)n2C)c([N+](=O)[O-])cc1OCC(F)F 502854309 YHWMGEJAFPZDPK-UHFFFAOYSA-N 440.428 4.237 5 20 IIBD COc1cc(CSc2nccn2Cc2ccccn2)c([N+](=O)[O-])cc1OCC(F)F 502872095 MMEUZVZOKCYWID-UHFFFAOYSA-N 436.440 4.179 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2/C=C/c2ccccc2)c(C(F)(F)F)c1 503787817 ISQMTDYYGJILHR-HVHJFMEUSA-N 426.416 4.480 5 20 IIBD O=c1c2c(-c3cccs3)csc2ncn1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 505037592 DKKNCOVAWFTDEZ-UHFFFAOYSA-N 437.462 4.193 5 20 IIBD COc1ccc2cc([C@]3(C)NC(=O)N(Cc4c(F)cc([N+](=O)[O-])cc4F)C3=O)ccc2c1 505456114 VWSLXMUXDVWUEW-QFIPXVFZSA-N 441.390 4.002 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCN(C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 506072364 SSKDOAADUFIERI-UUOWRZLLSA-N 445.523 4.292 5 20 IIBD O=C(COc1c([N+](=O)[O-])cnc2ccc(Br)cc12)N1CCC[C@H]2CCCC[C@H]21 508162258 KHCZQQBQHUOIQU-CXAGYDPISA-N 448.317 4.466 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1c1nc2ccccc2n1CC 509626218 QGYLIZZTKITJIG-IBGZPJMESA-N 428.514 4.053 5 20 IIBD Cc1c(Br)cc(C(=O)NCC2(c3ccccc3)CCOCC2)cc1[N+](=O)[O-] 509637476 GXAQGJLKOBUNTA-UHFFFAOYSA-N 433.302 4.144 5 20 IIBD Cc1cc(OCC(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)ccc1[N+](=O)[O-] 510384901 PPAPWFFYYISEKZ-QGZVFWFLSA-N 433.464 4.412 5 20 IIBD CCOC(=O)C1CCC(N(CC)C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 511920493 XDWRJZVNDPWZJA-UHFFFAOYSA-N 428.938 4.311 5 20 IIBD O=C(Nc1cccc(NS(=O)(=O)c2ccccc2)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 512079095 YFAYDPYFWQPKMZ-UHFFFAOYSA-N 436.449 4.129 5 20 IIBD O=C(CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)Nc1cccc2ccccc12 513990764 ZILJXQWMUUPMSE-UHFFFAOYSA-N 430.367 4.110 5 20 IIBD Cn1cc(C(=O)N2CCC(CCc3ccc(O)cc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 517560820 DKISWPBDLGPWJU-UHFFFAOYSA-N 434.496 4.186 5 20 IIBD C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 517836820 KLUBUXDBRZUQRJ-ADLMAVQZSA-N 437.315 4.335 5 20 IIBD COc1ccc(Cl)cc1C1(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCOCC1 517938609 UCMPBOWTCLNTEF-UHFFFAOYSA-N 444.871 4.481 5 20 IIBD CCCOc1cc(NC(=O)C(=O)N2CC[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OCCC 518141037 CIHHXTZAJKFZMQ-GOSISDBHSA-N 441.484 4.085 5 20 IIBD C[C@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 518867243 RUMCRHYUMDMMTC-QLFBSQMISA-N 429.439 4.013 5 20 IIBD Cc1ccc(Cl)cc1N1CC[C@@H](CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 522617720 RLHMNWRDWYMLGR-ZDUSSCGKSA-N 444.340 4.015 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 522721460 LZEVXMOOWJEIMK-NRFANRHFSA-N 437.883 4.157 5 20 IIBD O=C(NCCCn1cccn1)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 522766320 KJVXYOARLKVMLB-UHFFFAOYSA-N 447.854 4.266 5 20 IIBD C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 522953138 QTTYYSCZMLPKLI-AWEZNQCLSA-N 431.876 4.026 5 20 IIBD Cn1ccnc1Sc1ccc(Cl)cc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 523025329 NWPXIAFESBPNJW-UHFFFAOYSA-N 432.845 4.114 5 20 IIBD Cc1nn(C)c(C(=O)NCC2(c3cccc(Br)c3)CCCCC2)c1[N+](=O)[O-] 525208879 UMACASUCDQQVJA-UHFFFAOYSA-N 435.322 4.031 5 20 IIBD COc1cc(C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 525537489 RIXHYCPQCXHNSP-RHSMWYFYSA-N 447.919 4.461 5 20 IIBD COC(=O)c1csc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 532112722 IJZFAMUJGVBDKQ-LBPRGKRZSA-N 426.454 4.263 5 20 IIBD CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1cc2c(cc1OC(F)F)OCO2 532585099 OGNCAKLQLPHKHY-UHFFFAOYSA-N 447.394 4.254 5 20 IIBD O=C(c1cc(F)ccc1F)C1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 533242300 MSRNNZQRJFCMBL-UHFFFAOYSA-N 428.395 4.018 5 20 IIBD CCOC(=O)C[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(OC)c1 533327100 JJBMKOUQJCVNEK-KRWDZBQOSA-N 440.374 4.047 5 20 IIBD O=C(Nc1ccc(F)cc1)NC1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 534108090 OOIYWJMYHZMTBJ-UHFFFAOYSA-N 439.447 4.175 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](Cc2ccccc2)[C@H]1C 536468874 UFBCPONKKPYZRZ-SJLPKXTDSA-N 442.537 4.343 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(N3CCOCC3)oc2c1 537155523 QKVOTGAEULNKJQ-UHFFFAOYSA-N 442.497 4.325 5 20 IIBD O=C(C[C@H]1CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1cccs1 537558723 MVNALKDEKJPXTJ-LLVKDONJSA-N 449.337 4.389 5 20 IIBD COc1cc(CN(C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(SC)cc1OC 537615342 CZGLMLKQEBTNQO-UHFFFAOYSA-N 442.541 4.366 5 20 IIBD CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc12 538657268 ORGRNOLXJIDWKO-CQSZACIVSA-N 427.482 4.054 5 20 IIBD COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1 539853669 KAYONLPCJPEGGX-UHFFFAOYSA-N 435.527 4.449 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)c1 540614421 ODKCAMNAYZUUGB-AWEZNQCLSA-N 426.391 4.491 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cccc(-c4ncn(C)n4)c3)cc2[N+](=O)[O-])C1 541247140 RWRWZTOVVBRKPT-HOTGVXAUSA-N 434.500 4.125 5 20 IIBD CCOc1cc(NC(=O)c2cc(-c3cnn(C)c3)ccc2F)c([N+](=O)[O-])cc1OCC 542011907 FXCFUOGUSCQHCK-UHFFFAOYSA-N 428.420 4.184 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 542093573 NFROVTOCCKEWGJ-LLVKDONJSA-N 447.211 4.050 5 20 IIBD COc1cc(C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)ccc1[N+](=O)[O-] 542227738 WMRGPMVTHNYPLE-UHFFFAOYSA-N 438.311 4.305 5 20 IIBD CC(C)(C(=O)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1)c1ccc(Cl)cc1 542773505 YEYKQSBQQUPSHM-UHFFFAOYSA-N 441.919 4.141 5 20 IIBD Cc1ccnn1-c1ccc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)cc1 545002780 FFVUFJUFOUHMNZ-UHFFFAOYSA-N 440.257 4.492 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(Cc3nc(Cc4cc(Cl)c5c(c4)OCCO5)no3)c2c1 547004268 KIAJSUAJIWGCNC-UHFFFAOYSA-N 426.816 4.065 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(Cc3ccn(-c4ccccc4)n3)n2)c(Br)c1 547158000 RNAYGYIWWPIUBN-UHFFFAOYSA-N 440.257 4.108 5 20 IIBD Cc1ccc(-c2noc([C@H](C)Sc3nc4cc([N+](=O)[O-])ccc4c(=O)n3C)n2)cc1F 547233802 UCYCRMREEIPZSO-NSHDSACASA-N 441.444 4.193 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CC=C(c3cccc(Br)c3)CC2)s1 547286820 IWWZWPIBXSAEOP-UHFFFAOYSA-N 443.344 4.116 5 20 IIBD COc1ccc(CN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C2CC2)c(OC)c1 548944994 WLAFZMNLELGBNR-MRXNPFEDSA-N 427.501 4.160 5 20 IIBD COc1cc(C(=O)N=c2nc[nH]n2C(C)(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 549820743 WMFZEBWRBGXHIY-UHFFFAOYSA-N 445.863 4.070 5 20 IIBD C[C@H](NC1(Cc2cccc(F)c2)CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 549884463 KSOBCQKYQSXRDD-AWEZNQCLSA-N 435.883 4.096 5 20 IIBD CC(C)(C)CC(=O)Nc1ccc(CC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 558151841 CEUHFFKXBPXATJ-UHFFFAOYSA-N 436.512 4.352 5 20 IIBD COc1cc(OC)cc(C2(F)CCN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)c1 558897235 PEMXLGQQQVBNJU-UHFFFAOYSA-N 442.447 4.123 5 20 IIBD CC1CCN([C@@H](CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])c2cccs2)CC1 561433923 DOFALJYZGMNTRR-FQEVSTJZSA-N 430.574 4.313 5 20 IIBD O=C(Nc1ccc(Cc2nnc3ccccn23)cc1)c1c([N+](=O)[O-])cccc1C(F)(F)F 563751982 VQNWGLRIDKWJHX-UHFFFAOYSA-N 441.369 4.499 5 20 IIBD O=C(Nc1cc(F)c(Br)cc1F)N1CCOc2ccc([N+](=O)[O-])cc2C1 567088549 OBZVXTZRRUGKQZ-UHFFFAOYSA-N 428.189 4.062 5 20 IIBD COc1cc(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])cc1OC(F)F 568552470 QAIYQYGRQSEPJK-QGZVFWFLSA-N 442.802 4.072 5 20 IIBD Cc1ccc(-c2noc(CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)n2)cc1N1CCCC1 574513653 GFGNVBSGLRQAIG-UHFFFAOYSA-N 449.467 4.094 5 20 IIBD COc1ccc(CC(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)cc1[N+](=O)[O-] 577458753 FIFKCGZSGZEMAD-INIZCTEOSA-N 437.265 4.411 5 20 IIBD CCOC(=O)C[C@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(Br)c1 578187858 NBJWNMSGOCQUEA-UGSOOPFHSA-N 449.301 4.272 5 20 IIBD C[C@H](c1nnc(SCCCOc2ccc([N+](=O)[O-])cc2)n1-c1ccc(F)cc1)N(C)C 603945576 ILXWJMVLYDAGLX-OAHLLOKOSA-N 445.520 4.498 5 20 IIBD CCCOc1cc(NC(=O)NCc2cn3ccc(C)cc3n2)c([N+](=O)[O-])cc1OCCC 604087482 RNCVJZWQBCWWAS-UHFFFAOYSA-N 441.488 4.450 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2cnn(CC(F)(F)F)c2)cc1[N+](=O)[O-])c1ccccn1 609816161 QTGJPWQWACWDNC-GFCCVEGCSA-N 434.378 4.174 5 20 IIBD Cc1nn(C)c(C(=O)NCC2(c3ccc(Br)cc3)CCCCC2)c1[N+](=O)[O-] 609980174 JCWCSURYVZSAIM-UHFFFAOYSA-N 435.322 4.031 5 20 IIBD C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 610037391 GICSZCHHIOPBLG-MRXNPFEDSA-N 438.553 4.388 5 20 IIBD Cc1ccc(NCCCNC(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)c([N+](=O)[O-])c1 610093654 QCCDAVWJGMAZMD-UHFFFAOYSA-N 427.505 4.055 5 20 IIBD Cc1ccc(-c2ccsc2C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 610118276 NSIJBDZSFFBZCW-UHFFFAOYSA-N 435.505 4.230 5 20 IIBD CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 610711606 OACIHEDJQVOSSH-HXUWFJFHSA-N 428.460 4.323 5 20 IIBD CNC(=O)c1ccc(OC)c(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)c1 611205242 PUPRDZXMYCZVHU-UHFFFAOYSA-N 429.498 4.250 5 20 IIBD COC(=O)c1ccc(OCc2csc(-c3ccc(OC)c(OC)c3)n2)cc1[N+](=O)[O-] 613110770 XXTZYODMFVCELM-UHFFFAOYSA-N 430.438 4.101 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)ccc1[N+](=O)[O-] 725948112 KTUSXNLAAVWQML-OAHLLOKOSA-N 426.425 4.091 5 20 IIBD NS(=O)(=O)c1ccc(C(=O)OCc2nc3ccccc3c3ccccc23)cc1Cl 726063836 NIVNAWRXGGYPML-UHFFFAOYSA-N 426.881 4.046 5 20 IIBD Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)NCCc1ccc([N+](=O)[O-])cc1 728188931 UQBQGHRXVKOEMZ-UHFFFAOYSA-N 427.844 4.374 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)c1occc1CN1C(=O)Cc2ccccc21 728771882 PBQYERDSEDIDFY-UHFFFAOYSA-N 436.420 4.033 5 20 IIBD C[C@H](c1ccccc1)c1ccc(OC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)cc1 728852848 PBWLXVQTYXMKGF-OAHLLOKOSA-N 425.462 4.369 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N2CCC[C@@H]2C(C)(C)C)cc1 729402801 ZTDWJQGLPVKJII-HXUWFJFHSA-N 446.525 4.322 5 20 IIBD C[C@@H](OC(=O)CCc1nc2cc(Cl)ccc2s1)C(=O)Nc1ccc([N+](=O)[O-])cc1 730609938 ZHSMGQMFMQWAEZ-LLVKDONJSA-N 433.873 4.361 5 20 IIBD C[C@H](Oc1ccc(C(=O)O[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cn1)c1ccccc1 731512575 LBKBTCOVCQEZNY-KKSFZXQISA-N 447.447 4.092 5 20 IIBD O=C(OCC(=O)N1CCc2sccc2[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])c(F)c1 731515990 DEKJKOLMSDGJQI-OAQYLSRUSA-N 440.452 4.127 5 20 IIBD Cc1ccc([C@H](NC(=O)COC(=O)c2cc(F)cc([N+](=O)[O-])c2)c2cccs2)cc1 731528571 BIKWOHBXYOSZDX-FQEVSTJZSA-N 428.441 4.166 5 20 IIBD CCc1ccc(OC(=O)[C@@H](CCSC)NC(=O)c2ccccc2Cl)c([N+](=O)[O-])c1 734739379 IRYKZBLWPRAPTN-MRXNPFEDSA-N 436.917 4.268 5 20 IIBD COc1ccc([C@H]2[C@H](COC(=O)c3cc(SC)ccc3[N+](=O)[O-])CCC(=O)N2C)cc1 735785239 ULVRRCJZALXCAV-BTYIYWSLSA-N 444.509 4.092 5 20 IIBD CCC(CC)(CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H](C)c1ccccc1 737300986 PQQBLJHXFFLMJO-HNNXBMFYSA-N 446.935 4.213 5 20 IIBD Cc1nc(-c2ccc(S(=O)(=O)Oc3ccc([N+](=O)[O-])cc3Br)cc2)co1 738403864 RCYPIDHUHAHAPJ-UHFFFAOYSA-N 439.243 4.088 5 20 IIBD C[C@H](CC(=O)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccc(C(F)(F)F)c1 738740535 ASARMZPBWFSTKD-CYBMUJFWSA-N 436.386 4.240 5 20 IIBD CCN1C[C@@H](COC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)CC1=O 739221737 GYOVXPGEMHYBQJ-ZDUSSCGKSA-N 448.859 4.074 5 20 IIBD COc1ccc(OCCOC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c([N+](=O)[O-])c1 744643448 VHVQAKPBWDAUJK-UHFFFAOYSA-N 436.420 4.092 5 20 IIBD COc1ccc(CC(=O)O[C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)cc1[N+](=O)[O-] 744943591 HHPDMCMTEVJUMM-GFCCVEGCSA-N 431.832 4.078 5 20 IIBD O=C(OCCSc1ccc(Cl)cc1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 745027950 HZZFOVFMJCJDLW-AWEZNQCLSA-N 440.930 4.250 5 20 IIBD O=C(OCc1nc(-c2cc(F)c(F)c(F)c2)no1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 747123859 IKYPTDUMXJFTRJ-UHFFFAOYSA-N 447.247 4.438 5 20 IIBD C[C@@H](OC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1cc(Cl)ccc1OC(F)F 749089926 SCLLDGNFLKBXLH-SNVBAGLBSA-N 438.774 4.348 5 20 IIBD Cc1c(COC(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-] 750143229 BQJQIHGMASOVSN-SFHVURJKSA-N 447.285 4.014 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)c1c(F)ccc([N+](=O)[O-])c1F)c1ccc2c(c1)CCCC2 752566700 DLMMTWHZDOBNNL-QWHCGFSZSA-N 432.423 4.175 5 20 IIBD COc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1-c1ccccn1 755003090 DCBKXVCJSQKMTL-UHFFFAOYSA-N 441.827 4.114 5 20 IIBD CC[C@@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@H](c1ccc(C)cc1)n1cncn1 756721183 OHLMZAONHHPOHT-UXHICEINSA-N 442.907 4.016 5 20 IIBD O=C(NCCc1ccccc1OC(F)(F)F)c1cc([N+](=O)[O-])ccc1Br 756999805 HMOJLDJHENWCPB-UHFFFAOYSA-N 433.180 4.228 5 20 IIBD CCOC(=O)c1sc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)nc1C(C)C 758021725 CQFHWEGMNQSDLO-UHFFFAOYSA-N 442.291 4.366 5 20 IIBD Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)NCCc1ccccc1[N+](=O)[O-] 760188775 YENMUGFAIKNPNX-GOSISDBHSA-N 433.940 4.498 5 20 IIBD CN(C)C(=O)Nc1ccc(C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c(Cl)c1 760535987 DPPOSBRIPLVFBA-UHFFFAOYSA-N 444.831 4.354 5 20 IIBD O=C(Cc1cccc(OCC(F)(F)F)c1)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760538307 QUOJXJSRMZHBLF-UHFFFAOYSA-N 436.342 4.477 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)N(Cc2ccco2)c2ccccc2)c1 761207863 VDWLZEBEVGBAPD-UHFFFAOYSA-N 426.450 4.300 5 20 IIBD C[C@H](C(=O)Nc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2)c1cccc([N+](=O)[O-])c1 761810155 OOALOEUXOAVIOP-LBPRGKRZSA-N 432.502 4.087 5 20 IIBD Cn1nccc1CCNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 762496638 OISMWOVFSRSDCB-VKAVYKQESA-N 447.520 4.228 5 20 IIBD O=C(Nc1ccc(N2CCC(O)CC2)cc1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 765150958 FOXBMKYVRVGERX-UHFFFAOYSA-N 446.507 4.420 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)Nc1ccccc1Br 766221211 NXTASKTUUDZODM-LLVKDONJSA-N 444.241 4.090 5 20 IIBD COc1cc(COC(=O)[C@H]2C[C@H]2c2cc(F)c(F)c(F)c2)c([N+](=O)[O-])cc1OC(F)F 766765437 BZUHMLHAUYIHEC-QWRGUYRKSA-N 447.312 4.469 5 20 IIBD Cc1sc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)cc1[N+](=O)[O-] 767458749 GTXQCAQSLQUINC-UHFFFAOYSA-N 426.863 4.001 5 20 IIBD COc1ccc(C(C)(C)C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 767635488 VQYGPSUUOFHKQH-UHFFFAOYSA-N 440.374 4.082 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)[C@@H](O)c1c(Cl)cccc1Cl 771719923 UPLBGMRIOBNAGY-CWTRNNRKSA-N 438.311 4.354 5 20 IIBD Cc1cc(S(=O)(=O)N(C)[C@H](C)c2ccccc2Br)cc([N+](=O)[O-])c1F 771743089 POTVADGNZYTJEL-LLVKDONJSA-N 431.283 4.187 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCc2ccc(C(C)(C)O)cc2)cc1[N+](=O)[O-])c1ccccn1 773912918 JLLKDUYMIFKABH-INIZCTEOSA-N 434.496 4.320 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCN1C(=O)OC(C)(C)C 775237505 PDSYMEJVYYADLP-WBVHZDCISA-N 432.521 4.057 5 20 IIBD O=C(O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1ccc(N2CCCC2)c([N+](=O)[O-])c1 776134206 OOUKKAFKXNCQMW-JOCHJYFZSA-N 448.435 4.445 5 20 IIBD O=[N+]([O-])c1ccc([C@@H](O)CSc2nnc(N3CCCC3)n2-c2cccc(Cl)c2)cc1 776273430 BDOCUYNGRWKLGB-SFHVURJKSA-N 445.932 4.255 5 20 IIBD O=C(OCc1nc(Cc2cccc(F)c2)no1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 783318422 ZRWFBZVRQDLDPT-UHFFFAOYSA-N 440.412 4.188 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 784442181 NPACYUQGVIAFMH-VFNWGFHPSA-N 437.562 4.229 5 20 IIBD C[C@@H](OC(=O)c1cc2ccccc2n1CC(F)(F)F)C(=O)Nc1cccc([N+](=O)[O-])c1 787190143 DBLWQJIRWJPHFM-GFCCVEGCSA-N 435.358 4.296 5 20 IIBD Cc1cnc(Cl)c(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)c1 787458437 VQRZEFARZJHUSX-UHFFFAOYSA-N 443.813 4.325 5 20 IIBD COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 788189337 HPKMXWAXIXSHQM-PZPSRYQVSA-N 439.424 4.070 5 20 IIBD C[C@@H](Nc1cc(NC(=O)CN2CCCC[C@H]2C)ccc1F)c1ccc(N)c([N+](=O)[O-])c1 788713169 UWZFQTXSHOXXFG-HUUCEWRRSA-N 429.496 4.302 5 20 IIBD CCCOc1cc(OC)ccc1C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 789216007 RDGKMRADTJBYFA-CYBMUJFWSA-N 427.413 4.360 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc(Cl)c1F 791208660 QHNUJJPABYDAMR-UHFFFAOYSA-N 431.601 4.189 5 20 IIBD O=[N+]([O-])c1ccc(OCc2nc(Cc3cc(F)cc(Br)c3)no2)cc1F 795741974 IFZOLYDNTRYCQC-UHFFFAOYSA-N 426.173 4.188 5 20 IIBD COc1cc(C(=O)OCc2nc(-c3ccccn3)cs2)c([N+](=O)[O-])cc1OC(F)F 800341895 IWNPHRPYGVJSDK-UHFFFAOYSA-N 437.380 4.080 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(Cc1cc(F)ccc1F)C1CCCC1 800631292 MTGGHPUBGLADRS-UHFFFAOYSA-N 435.402 4.230 5 20 IIBD CC(C)(C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-])S(=O)(=O)c1ccc(Cl)cc1 805705127 URRMFCHKOPSHAJ-UHFFFAOYSA-N 432.281 4.197 5 20 IIBD COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1Cl 811832137 LYOYEHUZDKSSIW-UHFFFAOYSA-N 426.859 4.050 5 20 IIBD O=C1CCCc2cc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4C(F)(F)F)CC3)ccc21 815313376 DXYIXUIZSQEDLS-UHFFFAOYSA-N 447.413 4.095 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1F)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 818894598 SZIPWBRXBKWGLG-UHFFFAOYSA-N 427.392 4.435 5 20 IIBD COc1ccc([C@H]2NC(=O)c3cc(F)c(F)cc3N2)cc1OCc1ccc([N+](=O)[O-])cc1 877858604 IZVPLOLPJXIVAC-OAQYLSRUSA-N 441.390 4.315 5 20 IIBD C[C@@H](OC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc(-c2cccs2)no1 914596615 NHDAKBAHIXWDJV-SECBINFHSA-N 442.375 4.441 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c(F)c1 917258134 NQIDQLMPHXHLRZ-NSHDSACASA-N 444.337 4.167 5 20 IIBD Cc1cccc2sc(NS(=O)(=O)c3cc(Br)ccc3[N+](=O)[O-])nc12 917722399 KGGYAGCCHZLSES-UHFFFAOYSA-N 428.289 4.076 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 918190891 SLKYHUYALYJIAB-KRWDZBQOSA-N 439.468 4.326 5 20 IIBD Cc1cc(C(=O)OCC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)ccc1[N+](=O)[O-] 918859950 XSTGRNWYJHGPLC-JOCHJYFZSA-N 430.460 4.234 5 20 IIBD Cc1cc(C)cc(C2(C(=O)OCC(=O)Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 919472417 XGZRUQYVPOTCSD-UHFFFAOYSA-N 436.386 4.444 5 20 IIBD Cc1ccccc1-n1nc(C)c(CN(C)C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c1C 919828638 MQVPIFTWRHKPCE-UHFFFAOYSA-N 437.456 4.195 5 20 IIBD O=C(NCc1cc(OCC(F)F)ccn1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 1320006446 ULCQMAZCAVPZFZ-UHFFFAOYSA-N 442.422 4.176 5 20 IIBD COc1cccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1Br 1320336948 KWFXONBLIFNYMG-UHFFFAOYSA-N 434.290 4.221 5 20 IIBD O=C(COC1CCCCC1)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1 1785748477 ICJQGZXEWVIAGT-UHFFFAOYSA-N 441.484 4.285 5 20 IIBD Cc1ccncc1CCC(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1 1786876209 XSFIVXYMPTWKFM-UHFFFAOYSA-N 447.495 4.007 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3nc[nH]c3[N+](=O)[O-])cc2)CCC1)c1ccc2ccoc2c1 1788614017 LBKSNLSJDKQYGF-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(F)c1[N+](=O)[O-])C2)c1ccccc1 1795458559 YCNFHKRVFIHMPG-RDGPPVDQSA-N 439.487 4.180 5 20 IIBD Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2c(F)ccc([N+](=O)[O-])c2C)cc1C 1800699842 NLBQSUVOMIUKMF-REPLKXPHSA-N 439.487 4.225 5 20 IIBD Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(F)c2[N+](=O)[O-])C3)c1Cl 1803623010 SLIKTGFFAZNSTE-QDMKHBRRSA-N 445.878 4.261 5 20 IIBD O=C(c1cc(F)cc(Cl)c1)N1CCC2(CCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)CC1 1804649515 AJFKOAACCLXXFT-UHFFFAOYSA-N 449.866 4.139 5 20 IIBD Cc1ccccc1C(=O)N1CCC2(CCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)CC1 1806493387 XCDQBUBZELNELR-UHFFFAOYSA-N 449.551 4.381 5 20 IIBD CCCCC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)n[nH]1 1820366904 KOVLCLSOXGJPIF-PBHICJAKSA-N 430.509 4.168 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(C)c([N+](=O)[O-])c2)n[nH]1 1820916294 ONRPMVPAAGCBBE-KXBFYZLASA-N 441.532 4.297 5 20 IIBD O=C(c1cc2sccc2s1)N1CC2(CCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])C1 1845405563 DEJIETOKIUPGJJ-UHFFFAOYSA-N 445.497 4.141 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C(=O)Nc1ccc(Cl)cc1Cl 10016969 MDSSCDNVMMTOEA-JTQLQIEISA-N 426.256 4.152 5 20 IIBD O=C(Nc1ccc(OS(=O)(=O)c2ccccc2)cc1)c1cc([N+](=O)[O-])ccc1Cl 14100517 KJRGAHRIJVDIKA-UHFFFAOYSA-N 432.841 4.268 5 20 IIBD O=C(Nc1ccccc1)C1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 14899478 IYZPTHMHDYQQLS-UHFFFAOYSA-N 439.515 4.032 5 20 IIBD Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)cc12 15382313 KMBZCVREUJCZNT-UHFFFAOYSA-N 447.520 4.266 5 20 IIBD C[C@H](OC(=O)CSc1nc2ccccc2s1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 22098140 KJQZDSBSLVQCQQ-JTQLQIEISA-N 435.458 4.006 5 20 IIBD CN(Cc1ccc(F)cc1F)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 25053545 DWNGFDPCECTKNE-UHFFFAOYSA-N 432.349 4.145 5 20 IIBD CC(C)NC(=O)c1ccc(NCCNc2ncc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])c1 26723137 OSHKKNWYHGDOTC-UHFFFAOYSA-N 445.829 4.324 5 20 IIBD COc1ccc(C(NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c2ccc(OC)cc2)cc1 29645160 IUOJKRDARKZWCC-UHFFFAOYSA-N 435.480 4.238 5 20 IIBD COc1ccc(CSCC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1[N+](=O)[O-] 32354471 SJNXSYADNWBXKO-UHFFFAOYSA-N 440.525 4.119 5 20 IIBD Cc1ccc(S(=O)(=O)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 60515399 AYFYUAZRYGBKEX-UHFFFAOYSA-N 439.493 4.127 5 20 IIBD NC(=O)c1ccc(SCC(=O)N2CC=C(c3cccc4ccccc34)CC2)c([N+](=O)[O-])c1 63692273 FMLVCJBPBXQWSB-UHFFFAOYSA-N 447.516 4.255 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCC(=O)Nc3ccc(F)cc3)cc2[N+](=O)[O-])n1 64397881 HPTNBFJZVCZYPP-UHFFFAOYSA-N 446.485 4.019 5 20 IIBD CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 64895861 NBEUHHVBBKLOJE-UHFFFAOYSA-N 449.492 4.006 5 20 IIBD Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCN3C(=O)c3cccs3)n2)cc1[N+](=O)[O-] 108461368 MGFQWMVSJXUTIA-HNNXBMFYSA-N 442.522 4.332 5 20 IIBD COc1cc(CNCc2cccnc2-n2cccn2)ccc1OCc1ccc([N+](=O)[O-])cc1 237225996 DJVMQEDRYTUSDG-UHFFFAOYSA-N 445.479 4.053 5 20 IIBD C[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1ccc(S(=O)(=O)N(C)C)cc1 237434721 UOZGHALVCBMEJY-OAHLLOKOSA-N 445.566 4.424 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 301384676 BWIGIEANPXYWNZ-FQEVSTJZSA-N 431.876 4.155 5 20 IIBD COc1cc(C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C(=O)O)cc(OC)c1 426797626 BNZLGBWOOVVVOR-FQEVSTJZSA-N 442.493 4.126 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 427881258 HXSSVZONJAFVNN-UHFFFAOYSA-N 436.173 4.175 5 20 IIBD O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 429187503 ZPXVGMXZSQGYIK-LADGPHEKSA-N 441.503 4.182 5 20 IIBD CC(C)n1cnnc1CN(C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 430193183 FRZZOBFPIQVYCL-UHFFFAOYSA-N 431.500 4.252 5 20 IIBD CCN([C@@H](c1cccnc1)c1ccc(F)cc1F)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 431909146 KQJSSBLTBPGWCG-NRFANRHFSA-N 447.463 4.377 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)C1(Cc2ccc(F)cc2Br)CCOCC1 432042570 PAGGPRBINYAJNF-UHFFFAOYSA-N 437.265 4.474 5 20 IIBD COc1ccc(CC[C@H]2CCCCN2C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1OC 434186327 HNMZPOMADHHTLD-MRXNPFEDSA-N 430.505 4.086 5 20 IIBD O=C(Nc1ccc(Cl)c(CN2CCOCC2)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 435325980 HBXRXGDWXAPSKU-UHFFFAOYSA-N 443.809 4.352 5 20 IIBD O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 435952380 ZAMFBUYAQSVEAO-UHFFFAOYSA-N 440.503 4.108 5 20 IIBD O=C(NCc1cccc(NC(=O)N2CCCC2)c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 436060467 DZEBHJZNIBURPV-UHFFFAOYSA-N 440.503 4.239 5 20 IIBD O=C1CCc2cc(F)c(NC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)cc2N1 436079274 BQGFQXGQBZJEGN-UHFFFAOYSA-N 437.377 4.236 5 20 IIBD O=C(NCCC(c1ccccc1)c1ccccc1)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 436106023 QAUAXKACRMDWAP-UHFFFAOYSA-N 429.480 4.493 5 20 IIBD O=C(c1cc(-c2ccccc2)cc(Cl)c1O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 436534315 HMPVTBMIQFRGIN-MRXNPFEDSA-N 438.871 4.342 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 438662598 AKQUMKHBWRCTMP-UHFFFAOYSA-N 425.485 4.199 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)Nc2ccccc2OC(F)F)cc1[N+](=O)[O-] 438796311 XZCQTJBZISSGOP-UHFFFAOYSA-N 437.218 4.068 5 20 IIBD Cc1ccccc1[C@H](OC[C@@H](O)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 438823609 ZDUZCSQAFKBNOV-LADGPHEKSA-N 444.491 4.329 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1(c2noc([C@H]3CCOC3)n2)CCCCCC1 439496379 VCTIUTHCNRXKDF-INIZCTEOSA-N 443.504 4.470 5 20 IIBD O=C(N[C@@H]1CS(=O)(=O)c2ccccc21)c1ccccc1Sc1ccccc1[N+](=O)[O-] 440622751 HXQIDQZFZFNUHD-MRXNPFEDSA-N 440.502 4.004 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC(C)(C)O[C@@]2(C[C@@H]3CC[C@H]2C3)C1 440909024 NHKWDORTLPZXMR-VVBPWWLESA-N 434.558 4.143 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccncc1OCC(F)F 441136212 BTNPHFMKHLFHFG-UHFFFAOYSA-N 425.457 4.312 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N[C@]1(CO)CCOc2ccccc21 441622566 FQMQJDIBPFGOAS-QHCPKHFHSA-N 435.436 4.179 5 20 IIBD CN(C)Cc1ccc(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc1F 444281466 ABUFSECNJRDGMW-UHFFFAOYSA-N 439.437 4.090 5 20 IIBD CCNc1ccc(C(=O)Nc2ccc(N3CCOC(C)(C)C3)cc2OCC)cc1[N+](=O)[O-] 444347899 ZGMHUKIRDZTBAG-UHFFFAOYSA-N 442.516 4.293 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](CO)Cc1cc(F)c(F)c(F)c1 444424454 BDWWBFGOBMOZIP-CYBMUJFWSA-N 442.459 4.094 5 20 IIBD CCN(CC)[C@H](CNC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccccc1Cl 444884678 ASJAAVYBMDRDGL-LJQANCHMSA-N 444.923 4.007 5 20 IIBD O=C(Cc1noc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n1)Nc1ccc(F)c(Cl)c1 445367950 PEQKTVZKGIZOAT-UHFFFAOYSA-N 429.795 4.024 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 446002897 NXIZWVOTILGTMN-SJORKVTESA-N 437.418 4.487 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)c(Cl)c1 446947317 XJWFLKZQASFMCG-UHFFFAOYSA-N 432.889 4.249 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 447668039 FYTBVQRJNHUPOL-SNVBAGLBSA-N 432.353 4.023 5 20 IIBD C[C@@H](c1ccco1)N(C)C(=O)c1cc(C(=O)N(C)[C@H](C)c2ccco2)cc([N+](=O)[O-])c1 460769501 JPXCQBDVBPARMJ-GASCZTMLSA-N 425.441 4.447 5 20 IIBD COc1ccccc1[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1Cl 462247403 NYXVNSYECJVGJD-NRFANRHFSA-N 425.872 4.235 5 20 IIBD CN(CCOc1cccc(Cl)c1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 462453699 HAJBYQYRMPILGK-UHFFFAOYSA-N 439.704 4.255 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 464711975 NZQLSSUGPWNFPG-UHFFFAOYSA-N 439.493 4.235 5 20 IIBD COc1ccccc1-c1ccc([C@H](C)NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 465108666 GXKLIKGZPCGWSI-INIZCTEOSA-N 448.475 4.462 5 20 IIBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1 469033829 OLFDSXVOTYISTQ-OAQYLSRUSA-N 441.846 4.023 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1 469341063 NIKSQFUKXNXTCL-GOSISDBHSA-N 436.917 4.200 5 20 IIBD COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 470371297 FJZOSGZNLRKMRF-ZDUSSCGKSA-N 445.859 4.228 5 20 IIBD COC(=O)COc1ccc(CNc2cccc(NC(=O)C3CCCCC3)c2)cc1[N+](=O)[O-] 473989591 QUCKRGYZLICOKN-UHFFFAOYSA-N 441.484 4.278 5 20 IIBD COc1ccc(CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C(C)(C)C)c(OC)c1 474186577 YGSCMNYBHLYGOL-UHFFFAOYSA-N 426.473 4.463 5 20 IIBD CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 475085581 KKBDYMOPYBARCY-IRXDYDNUSA-N 441.532 4.158 5 20 IIBD C[C@@H](NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C(=O)N1Cc2ccccc2C1 475508706 DQDXAXRFTSCZPG-GOSISDBHSA-N 430.508 4.383 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)c2cc3cccc(F)c3o2)ccc1[N+](=O)[O-] 475795801 YJFVWTXETKMFPH-IFXJQAMLSA-N 439.443 4.271 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3cc(C(F)(F)F)ccc3F)CC2)ccc1[N+](=O)[O-] 477364487 XXGRXRDZJWORPC-UHFFFAOYSA-N 441.381 4.114 5 20 IIBD CCc1[nH]nc(C(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2cccs2)c1[N+](=O)[O-] 479564856 GQFSLYQZELSXCI-UHFFFAOYSA-N 436.497 4.067 5 20 IIBD Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 481330187 KYKWDWZOGTYHGK-UHFFFAOYSA-N 439.516 4.242 5 20 IIBD CCOc1ccc(-n2c(Sc3ccc([N+](=O)[O-])c(C)n3)nnc2-c2ccccn2)cc1 481818936 VRRLAPGDTUMJRV-UHFFFAOYSA-N 434.481 4.491 5 20 IIBD COC(=O)C[C@@H](NC(=O)CSc1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 482139955 JGROGDWQCRJMRT-CQSZACIVSA-N 442.415 4.126 5 20 IIBD COc1ccccc1-c1csc(C2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])CC2)n1 483055942 UTHQGXWPUZNEEB-UHFFFAOYSA-N 438.509 4.329 5 20 IIBD COc1cc([C@H](C)Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)ccc1OCCO 485385468 CEDLIJPQOHLDCC-AWEZNQCLSA-N 427.432 4.349 5 20 IIBD COc1ccc(Cl)cc1-c1cc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)n[nH]1 486283485 YAYDGAAKTCYVBH-UHFFFAOYSA-N 438.831 4.085 5 20 IIBD O=C(CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)Nc1cccc(F)c1 486608565 WAFBAWUPGRWZPZ-UHFFFAOYSA-N 425.441 4.254 5 20 IIBD CC(=O)Nc1ccc(S[C@@H](C)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 486737656 OBHJTVNAWBHQTH-NSHDSACASA-N 441.431 4.369 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N(Cc1ccc2c(c1)CCO2)C1CCCC1 486973250 FWBFSNYDHILNKT-UHFFFAOYSA-N 432.480 4.300 5 20 IIBD COC(=O)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1ccccc1 487867775 BPZFQEGTIYMZKM-HXUWFJFHSA-N 436.489 4.433 5 20 IIBD CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)n[nH]1 489239074 ZWWKBRGZFLSVDU-GHMZBOCLSA-N 425.439 4.082 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H](c2nc3c(s2)CCCC3)C1 490068435 RVBAXMBXNYIOFV-INIZCTEOSA-N 428.558 4.447 5 20 IIBD CCCO[C@H]1CCCN([C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 495034484 CSWAXLNTSLWLGT-QAPCUYQASA-N 432.546 4.326 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC[C@H]1CCN(c2ccc(F)cc2)C1 495128324 BJFWLPAFZCSSIK-CYBMUJFWSA-N 440.397 4.078 5 20 IIBD C[C@@H]1CCCN(Cc2csc(NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)n2)C1 495323835 JYFNZTBHOZCGFD-LLVKDONJSA-N 426.445 4.137 5 20 IIBD COc1cccc(Oc2ncccc2CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])c1 498163672 AODSHCMDJORLNA-UHFFFAOYSA-N 436.468 4.175 5 20 IIBD Cc1cc(-c2csc(NC(=O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)n2)c(C)o1 500236101 MOGJFENYWGZERW-UHFFFAOYSA-N 440.481 4.058 5 20 IIBD CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CCN(C(=O)c2ccccc2)CC1 500240510 NLXJGUHNABCOPW-UHFFFAOYSA-N 434.496 4.029 5 20 IIBD O=C(NCCc1ccc(Oc2ccc(F)cc2)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 501377611 QYSNBPDZBHQFIV-UHFFFAOYSA-N 438.411 4.270 5 20 IIBD CC1(C)CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C[C@@](C)(C(F)(F)F)O1 505786864 GZJZJFBARZJRPO-QFIPXVFZSA-N 432.442 4.113 5 20 IIBD CCOc1cc(C(=O)Nc2scc(CC(C)C)c2C(=O)OC)c([N+](=O)[O-])cc1OC 508321959 KLDDETDMKCIYIK-UHFFFAOYSA-N 436.486 4.301 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccc(Br)c2)c([N+](=O)[O-])c1 509789107 LGZDXYPMSHUUAK-OAHLLOKOSA-N 425.304 4.192 5 20 IIBD C[C@@H]1CN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2cccc([N+](=O)[O-])c2)CCC3)C[C@@H]1O 512083995 NINJMMKEGWHQJZ-YZYJSFGGSA-N 443.503 4.473 5 20 IIBD Cc1ccc(-c2csc(NC(=O)CCCNC(=O)c3ccc(F)cc3)n2)cc1[N+](=O)[O-] 512301326 USDNIHRXJUMALC-UHFFFAOYSA-N 442.472 4.315 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccc(CCN4CCCC4)cc3)cc2)c(C)c1[N+](=O)[O-] 516231643 MFBQHCVRVQIITK-UHFFFAOYSA-N 447.539 4.347 5 20 IIBD O=C(NCc1cccc(Cn2cnc3ccccc32)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 517896903 DFJGHVRLEDLOAH-UHFFFAOYSA-N 441.491 4.497 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccccc1-n1cc(Br)cn1 522748505 KCJOKBLYFMYUIW-UHFFFAOYSA-N 435.665 4.378 5 20 IIBD COc1cc(CN[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 525708750 WTIIVDQOTWUASO-WWPVKYPJSA-N 426.513 4.476 5 20 IIBD CCOC(=O)[C@@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c2ccccc21 525841870 PKTXBTZEOYXTIR-QGZVFWFLSA-N 437.477 4.416 5 20 IIBD O=C(CN[C@H](c1ccccc1)C(F)(F)F)Nc1ccc([N+](=O)[O-])cc1Br 533479058 BEYYTUOCRKNLEJ-OAHLLOKOSA-N 432.196 4.189 5 20 IIBD COc1ccccc1[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1ccccn1 534060626 QEFFUYFDXWZPNZ-HSZRJFAPSA-N 432.480 4.436 5 20 IIBD Cc1c(Cl)cccc1NC(=O)C[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 535509587 ATRCOICIBGKRBE-GDLZYMKVSA-N 433.873 4.099 5 20 IIBD COc1cccc(C(Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c2cccc(OC)c2)c1 536685533 WPHFEBQLOURQNS-UHFFFAOYSA-N 448.522 4.279 5 20 IIBD Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C 538196361 CTBYJTUURKDUKG-UHFFFAOYSA-N 428.558 4.408 5 20 IIBD COc1cc(CCNC(=O)c2sc(C3CCCCC3)nc2C)c([N+](=O)[O-])cc1OC 538249552 SXWKWOSCHPXJSX-UHFFFAOYSA-N 433.530 4.397 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](c1c(C)nn(-c2ccccc2)c1C)C(F)(F)F 538552836 SMRVRQFOGQEMJU-LJQANCHMSA-N 448.401 4.439 5 20 IIBD O=C(Nc1ccc(OC2CCCC2)cc1)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 539415384 FFSOGYIUDJUPFC-UHFFFAOYSA-N 425.470 4.438 5 20 IIBD COc1ccc(CN(C2CCCCC2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OC 539860752 WQDLYMWZNQTZPW-UHFFFAOYSA-N 434.514 4.136 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCCC1CCN(CC(F)(F)F)CC1 541421559 UOAZIXKKFRYTGX-UHFFFAOYSA-N 439.887 4.121 5 20 IIBD COc1ccc(Cl)cc1C1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCOCC1 541780291 HFZNOICKKNUNLR-UHFFFAOYSA-N 437.855 4.266 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC(C)(c3nc(C)no3)CC2)cc1OC 541956312 BZIYZJLIUYAMIV-OAHLLOKOSA-N 432.521 4.273 5 20 IIBD CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 542214337 LQVOIBSRMDQCAI-UHFFFAOYSA-N 435.933 4.091 5 20 IIBD CC(C)OCc1ccc(CNC(=O)COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 542215899 NDUYWDVXKONVJS-UHFFFAOYSA-N 426.391 4.234 5 20 IIBD CN(C)CCOc1ccccc1-c1noc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1 546401718 IBGZZGMCJNUSAI-UHFFFAOYSA-N 437.481 4.376 5 20 IIBD Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](c1nc(Cc3cccc([N+](=O)[O-])c3C)no1)CC2 547194841 OTHYCCYSAQAVRE-ZDUSSCGKSA-N 433.390 4.267 5 20 IIBD C[C@H](c1nc(Cc2ccn(-c3c(F)cccc3F)n2)no1)c1ccc([N+](=O)[O-])cc1F 547237703 RRTHOINXTHUXIJ-NSHDSACASA-N 429.358 4.323 5 20 IIBD CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 551767623 CTELKBQGJATAAP-BFUOFWGJSA-N 447.919 4.377 5 20 IIBD CC[C@@H]1CN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C[C@H](C)[S@@]1=O 557578198 OQFNJAJQGBBFIE-NQHWOYTFSA-N 449.960 4.232 5 20 IIBD COCCC[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 560101787 RPTZRIFQEFXZAQ-MRXNPFEDSA-N 435.318 4.433 5 20 IIBD CCC[C@H](NCc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)c1cccc([N+](=O)[O-])c1 560266243 MTWNZVGUIVVYLA-XUZZJYLKSA-N 436.512 4.451 5 20 IIBD COc1cc(Cc2noc(-c3cc(NC(=O)C(C)C)ccc3Cl)n2)ccc1[N+](=O)[O-] 562231506 RAKZWVIRGJEHEJ-UHFFFAOYSA-N 430.848 4.492 5 20 IIBD Cc1c(Cc2noc(CCSc3ccc4c(c3)OCCCO4)n2)cccc1[N+](=O)[O-] 564555848 UCXFAMBYAPYWNW-UHFFFAOYSA-N 427.482 4.373 5 20 IIBD CS(=O)(=O)c1ccc(-c2nc(C3(c4ccc(F)cc4)CCCCC3)no2)cc1[N+](=O)[O-] 567146566 FJSJKNPKMFKDPH-UHFFFAOYSA-N 445.472 4.438 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1Cc2cnn(-c3ccccc3)c2C1 567195812 RINBTEZHEUDXMK-UHFFFAOYSA-N 442.425 4.301 5 20 IIBD O=[N+]([O-])c1ccc(NCCCc2nc(-c3cn4ccc(Br)cc4n3)no2)cc1 582935055 WLZSMHLCWYCOHD-UHFFFAOYSA-N 443.261 4.100 5 20 IIBD C[C@H](C(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc([N+](=O)[O-])cc1F 583196019 MXFLPIQZKZEBFW-JTQLQIEISA-N 428.247 4.289 5 20 IIBD COC(=O)c1ccc(OCC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)c([N+](=O)[O-])c1 594743982 FKTOKGHBKVQCDC-UHFFFAOYSA-N 426.469 4.075 5 20 IIBD CCCc1ccc([C@H](Nc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)c2cccs2)cc1 600847118 AEXMNMSUHJNYIT-FQEVSTJZSA-N 431.539 4.458 5 20 IIBD COc1cc(C(=O)N(Cc2cccnc2)Cc2ccco2)c([N+](=O)[O-])cc1OC(F)F 602220749 CVPVPMPMMCDOGT-UHFFFAOYSA-N 433.367 4.035 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@@H](c3ccsc3)N(C)C)cc2[N+](=O)[O-])C1 603872864 ZPGZVZHDBKEIMX-MRUHUIDDSA-N 430.574 4.171 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3ccc(C(N)=O)c(F)c3)cc2[N+](=O)[O-])n1 608850697 JHFYBQIWXHSLKB-UHFFFAOYSA-N 432.458 4.001 5 20 IIBD COc1ccc(-c2nsc(NC(=O)CSCc3ccc(OC)c([N+](=O)[O-])c3)n2)cc1 609127577 IVMBCNXPGFJSPY-UHFFFAOYSA-N 446.510 4.002 5 20 IIBD O=C(NCc1ccncc1)Nc1cccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1 609174127 FTTDFKFCWGNYMR-UHFFFAOYSA-N 430.424 4.045 5 20 IIBD COC[C@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 609840014 YJEJQDJQZOPQQB-KRWDZBQOSA-N 448.401 4.378 5 20 IIBD CC(=O)N(C)c1ccc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cc1 609856575 LCEBSHAEAOSYKP-UHFFFAOYSA-N 448.266 4.322 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc(C(=O)N(C)c2ccccc2)ccc1Cl 609979224 XHTZANMUZVMMSU-UHFFFAOYSA-N 441.875 4.059 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)cc1SC 610122424 ULWFLNVYFFWKIA-INIZCTEOSA-N 429.542 4.062 5 20 IIBD Cc1cccn2cc(CCNC(=O)c3ccc(N[C@@H](C)c4ccccn4)c([N+](=O)[O-])c3)nc12 610434847 NSKONEJNCMCGKO-KRWDZBQOSA-N 444.495 4.092 5 20 IIBD COc1ccc(CSCC(=O)N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] 610598256 ZLXQRVGQLYRWSL-GHMZBOCLSA-N 446.369 4.036 5 20 IIBD CN(C)C[C@H]1CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c2ccccc2O1 610764734 HIFSHFSBLNAYAR-FQEVSTJZSA-N 446.507 4.176 5 20 IIBD COc1cc(CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C2CC2)ccc1OC(F)F 611253125 MXJHUCQVFOMLTG-UHFFFAOYSA-N 436.411 4.141 5 20 IIBD C[C@H](C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 617698790 LUWGVEFXSPEIGP-HNNXBMFYSA-N 425.466 4.138 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 725797649 DMYPEJWNPDBCRM-WOJBJXKFSA-N 447.532 4.215 5 20 IIBD COc1cc(C(=O)OCC(=O)c2cc(C)n(CCc3cccs3)c2C)ccc1[N+](=O)[O-] 725947123 DYLASTVCCKXXOM-UHFFFAOYSA-N 442.493 4.366 5 20 IIBD CC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)ccc1Cl 727712536 UKOWYXYPPXJECA-UHFFFAOYSA-N 446.312 4.231 5 20 IIBD CCCC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccc(OC)cc1 728496047 LQDXDTVRKRYZMO-JXFKEZNVSA-N 443.475 4.143 5 20 IIBD COc1cc2ccccc2cc1C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730704473 NZQBQDYYMNWSBQ-SFHVURJKSA-N 434.448 4.218 5 20 IIBD O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@H]1COC(=O)C1(c2ccc(F)cc2)CCC1 730705701 ZDNJYWJRSGGTAJ-GOSISDBHSA-N 426.444 4.004 5 20 IIBD O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1SCc1ccco1 731510381 NKUIMDVPPQDFTL-IBGZPJMESA-N 438.461 4.442 5 20 IIBD O=C(Nc1ccc(OCC2CC2)cc1)c1ccc(I)c([N+](=O)[O-])c1 733116213 DRLRJYCEAJSOTF-UHFFFAOYSA-N 438.221 4.241 5 20 IIBD COc1cc(C)sc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 733838685 BOWNJSCVOQNFPN-SECBINFHSA-N 432.376 4.176 5 20 IIBD Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)OCc3ccc(Cl)cc3[N+](=O)[O-])C2)c1 734891243 SAFUWAVPMCWXJX-MRXNPFEDSA-N 430.888 4.461 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(CNC(=O)OC(C)C)cc2)cc1SC 735020458 XKDSJLRWYMZOOO-UHFFFAOYSA-N 433.486 4.212 5 20 IIBD O=C(COC(=O)c1csc(Cc2ccccc2F)n1)Nc1ccc(Cl)cc1[N+](=O)[O-] 735557600 LBBUPALPAHULGH-UHFFFAOYSA-N 449.847 4.230 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(N2CCSCC2)cc1 741579060 DYIGULCNQAMDKL-UHFFFAOYSA-N 429.545 4.347 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 747389452 PRGIENOSYUBHQU-KFWWJZLASA-N 433.892 4.268 5 20 IIBD Cc1ccccc1[C@H](C)NC(=O)[C@H](C)OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 747957699 PZLLWQFOKIIZCW-GJZGRUSLSA-N 439.493 4.449 5 20 IIBD CC[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)c1ccc(NC(C)=O)cc1 748892669 JBWXCUPZAIOFDA-QGZVFWFLSA-N 449.257 4.134 5 20 IIBD O=C(CCc1ccc(Br)cc1)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 749030845 FBQHJYINJNHPFL-UHFFFAOYSA-N 448.317 4.145 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 750110667 OEVKRXIIJWZMPD-UHFFFAOYSA-N 439.449 4.013 5 20 IIBD CC1([C@@H]2CCCN(Cc3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)C2)OCCO1 753596157 RYISRRHBHGISAN-OAQYLSRUSA-N 448.523 4.423 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC(Cc3ccc(F)c(F)c3)C2)CC1 754406886 XYUDODKQQUVOKH-UHFFFAOYSA-N 429.467 4.424 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCN(CC2CC2)c2ccccc21 755022131 SDBZFHJCMAFWFS-UHFFFAOYSA-N 434.265 4.373 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)OCc1ncc(-c2ccccc2Br)o1 755675210 RDEUXPTXTASOHJ-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@H]2CC3(CCC3)Oc3ccccc32)ccc1[N+](=O)[O-] 757811414 AKROGVHRFNYBHG-FPOVZHCZSA-N 449.507 4.071 5 20 IIBD O=C(NCCc1cc(Br)ccc1F)c1cccc([N+](=O)[O-])c1Br 758152632 PUXQZKMGGKQILM-UHFFFAOYSA-N 446.070 4.231 5 20 IIBD COc1cc(OC)cc(N2CCCN(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC2)c1 758500105 WLSIUFAZSZSYMC-UHFFFAOYSA-N 434.880 4.010 5 20 IIBD CC(C)(C)OC(=O)N1CCC(CC(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 760509409 NSJNQTDNNCUOMS-UHFFFAOYSA-N 445.472 4.330 5 20 IIBD Cc1nn(CNC2(c3cccc(Br)c3)CCOCC2)c2cc([N+](=O)[O-])ccc12 761289177 BYEUHZCPNTVXAL-UHFFFAOYSA-N 445.317 4.268 5 20 IIBD Cc1sc2ncn(NC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)c(=O)c2c1-c1ccccc1 762942866 CKSNVECJURLNQU-ZDUSSCGKSA-N 434.477 4.215 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 764178167 APZYKUUQPIOKMT-AWEZNQCLSA-N 437.562 4.472 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 765609870 MEBGXFRXSLMTNG-QWFCFKBJSA-N 433.549 4.315 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 766190207 BXQLKGXHQXTLQW-UWJYYQICSA-N 432.565 4.237 5 20 IIBD O=[N+]([O-])c1cc(F)ccc1OS(=O)(=O)c1c(Cl)cc(F)cc1Br 767255947 LANHKLPGEPREEZ-UHFFFAOYSA-N 428.594 4.057 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)[C@@H](C)Oc2cccc3ccccc23)c([N+](=O)[O-])c1 769378511 GNVOJJNTJTUQNU-OAHLLOKOSA-N 438.436 4.096 5 20 IIBD O=C1OCCN1c1cccc(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])c1 774660468 PGFRDYIUFCFYSC-UHFFFAOYSA-N 432.305 4.213 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCc2ncc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])cc2C1 777236049 OQBVUNRBOFIMGW-ZDUSSCGKSA-N 446.891 4.278 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)cc1[N+](=O)[O-] 778139724 VVHXFTWSEGQTND-GFCCVEGCSA-N 435.820 4.132 5 20 IIBD Cc1nn(-c2ccccc2)c2ncc(C(=O)O[C@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)cc12 778322056 ZAKUOQUSIKXUMV-PMACEKPBSA-N 446.467 4.174 5 20 IIBD COc1cccc(C(=O)c2ccc(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)cc2)c1 781252866 YWDVEZTVGPGIQG-UHFFFAOYSA-N 449.415 4.058 5 20 IIBD Cc1cccc(NC(=O)COC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1C 781257216 QLUVSNQEGLGPQM-UHFFFAOYSA-N 436.414 4.372 5 20 IIBD O=C(NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1Sc1ccccc1 781445597 ZWMZEXMBGSGCCQ-UHFFFAOYSA-N 446.481 4.145 5 20 IIBD O=C(OCc1ccc(OCC(F)(F)F)nc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 781566277 AYQZOPWDHCSFAN-UHFFFAOYSA-N 428.366 4.374 5 20 IIBD C[C@H](OC(=O)c1cccc([N+](=O)[O-])c1Br)C(=O)Nc1cccc2ncccc12 781676651 VLTWLWITDOLEIY-NSHDSACASA-N 444.241 4.090 5 20 IIBD CN(C(=O)COC(=O)c1cccc([N+](=O)[O-])c1Br)[C@H]1CCCc2ccccc21 781678182 ORLFCJIJHMVQPA-INIZCTEOSA-N 447.285 4.050 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])O[C@@H](C(=O)Nc1ccccc1)c1ccccc1 781736206 FMPQFSKOKWAESO-JOCHJYFZSA-N 449.419 4.359 5 20 IIBD Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-] 782425907 HLXLMCVJQMZCEU-UHFFFAOYSA-N 449.341 4.033 5 20 IIBD Cc1c(C)n(C[C@H]2CCCO2)c2ncnc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])c12 782575583 DYWFOSXFUPVSHS-CYBMUJFWSA-N 429.864 4.041 5 20 IIBD O=C(Nc1cccc(COc2ccccc2)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 783495260 QVJZPNNDPZUKEG-UHFFFAOYSA-N 425.828 4.404 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)NCc2cc3ccccc3s2)cc1[N+](=O)[O-] 784684318 PGTZCIBMVAYSBV-UHFFFAOYSA-N 448.298 4.135 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 787665463 UHGNKUINOWMTDW-UHFFFAOYSA-N 445.519 4.452 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(C(F)(F)F)cc2)c(Br)c1 788676989 AHBLWSMRCMFSQF-UHFFFAOYSA-N 426.166 4.144 5 20 IIBD O=C(OCC(=O)c1ccncc1Cl)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 791591284 UOPXQCBOKYZTLJ-UHFFFAOYSA-N 425.828 4.295 5 20 IIBD CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c1 792476436 WAEGFAQIJGRREH-GFCCVEGCSA-N 449.257 4.052 5 20 IIBD O=[N+]([O-])c1cccc([C@H](O)CN(Cc2ccncc2)[C@H]2CCCN(Cc3ccccc3)C2)c1 794801412 AKECRVGBLLDSBQ-IZZNHLLZSA-N 446.551 4.190 5 20 IIBD CC(C)(C)OC(=O)N1CCOc2ccc(NC(=O)CCc3cccc([N+](=O)[O-])c3)cc2C1 794813869 IAGUSXNRAYVBLT-UHFFFAOYSA-N 441.484 4.296 5 20 IIBD O=[N+]([O-])c1ccc(N2CCCCC2)c(-c2nc([C@@H]3CN(Cc4ccccc4)CCO3)no2)c1 795764364 DHIMXCQSQOHXMI-QFIPXVFZSA-N 449.511 4.209 5 20 IIBD C[C@@H](OC(=O)c1cccc(C(=O)Nc2ccccc2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 803908420 BYALWRNHJVKRGL-OAHLLOKOSA-N 433.420 4.031 5 20 IIBD CC(C)n1ncc2c(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)cc(-c3ccco3)nc21 809258138 VIBMXOJMAQSUHH-UHFFFAOYSA-N 434.408 4.220 5 20 IIBD CCOc1cc(C(=O)N[C@@H](C)c2ccc(N3CCCCC3=O)cc2)c([N+](=O)[O-])cc1OC 811003564 GDQSURUNVCTXEP-HNNXBMFYSA-N 441.484 4.010 5 20 IIBD CCc1sc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1Br 815335372 HJHFECPEYZSTFN-UHFFFAOYSA-N 427.276 4.085 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(c2ccc3cccc(O)c3n2)CC1 819998912 KYIOZTRUOLTWFP-UHFFFAOYSA-N 436.468 4.102 5 20 IIBD C[C@H](OC(=O)c1cccc(OC[C@@H]2CCCO2)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 844482055 JLTRSEQTGWCTRN-LIRRHRJNSA-N 439.424 4.121 5 20 IIBD Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)O[C@@H](C)C(=O)NC2CCCC2)n1 849132679 NQHMEHGHXFCJQX-LBPRGKRZSA-N 435.527 4.115 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]1c1nc(-c2ccc(N3CCCCC3)cc2)no1 904611593 XKJRLNKFNOBODS-QGZVFWFLSA-N 437.456 4.205 5 20 IIBD Cc1c(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 918389203 DKDLLMXSZBQRSQ-UHFFFAOYSA-N 431.832 4.200 5 20 IIBD O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 918734925 BXYZVODUGQZCGH-AOOOYVTPSA-N 425.329 4.054 5 20 IIBD COc1ccc(COC(=O)CSCc2ccc(Br)cc2)cc1[N+](=O)[O-] 918983287 HUMMHZDZFAJKJY-UHFFFAOYSA-N 426.288 4.343 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCc1noc(-c2ccc(Cl)cc2)n1 920776709 BZIWQBZQIRGIOG-JTQLQIEISA-N 438.223 4.462 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCc1nc(-c2ccc(Cl)cc2)no1 920777601 LDIXHOPYJIQCGG-JTQLQIEISA-N 438.223 4.462 5 20 IIBD CCOc1cc(-c2nnc(-c3cc(C)cc([N+](=O)[O-])c3N)o2)cc(OCC)c1OCC 1117181851 WBWBEWVZXOFVQX-UHFFFAOYSA-N 428.445 4.399 5 20 IIBD COc1cc(C(=O)OCC(=O)N(CC(F)(F)F)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] 1318136483 OBEFZQNLKHDTQB-UHFFFAOYSA-N 446.765 4.009 5 20 IIBD Cc1cc(C)cc(C(=O)N2CCC[C@@H](c3nnc(COc4ccccc4[N+](=O)[O-])o3)C2)c1 1322204524 BCEXGXUSTGOJRZ-QGZVFWFLSA-N 436.468 4.193 5 20 IIBD O=C(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H](Sc1ccc(F)cc1)c1ccccc1 1326917055 VVUFFOKJWQSUHK-IBGZPJMESA-N 446.481 4.072 5 20 IIBD O=C(c1ccccc1OCc1cn2ccccc2n1)N1CCc2ccc([N+](=O)[O-])cc2C1 1340202996 BELIEDFXAOTZIT-UHFFFAOYSA-N 428.448 4.020 5 20 IIBD COCCCC(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])CCC2)cc1 1786045811 CAXRPKMBBUZOCE-NTEUORMPSA-N 437.496 4.169 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]3C3CC3)CCC2)cc1 1786205828 RHIDOVAQUDUDAV-VGKNGNLDSA-N 435.480 4.381 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccc(C2(NC(=O)c3cncs3)CCC2)cc1 1786206239 COANGEFIHFCQIC-SOFGYWHQSA-N 438.465 4.105 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)Cc4cccc([N+](=O)[O-])c4)CCC3)cc2)o1 1786488710 SDTJHBZAEFFRSF-UHFFFAOYSA-N 433.464 4.487 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)NC1(c2ccc(NC(=O)c3ccncc3)cc2)CCC1 1787306508 MVBSGOWDCNDQPU-SOFGYWHQSA-N 432.436 4.044 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@H]3C[C@@]3(F)Cl)CCC2)cc1)c1cccc(F)c1[N+](=O)[O-] 1790699259 YHTZTGIIJULPNM-VFNWGFHPSA-N 449.841 4.406 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@H]3CC=CCC3)CCC2)cc1)c1cc(O)cc([N+](=O)[O-])c1 1790757112 YMZXWWDQWGKKAR-INIZCTEOSA-N 435.480 4.404 5 20 IIBD Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c(F)ccc([N+](=O)[O-])c2C)C3)cc1F 1799614416 ABVUATQNKZIWQE-BJWYYQGGSA-N 443.450 4.055 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(F)c1[N+](=O)[O-])c1cccc2ccoc12 1800530263 HFUSMXGHIGMLGJ-MUJYYYPQSA-N 437.427 4.046 5 20 IIBD Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2ccsc2)C3)cc(Cl)cc1[N+](=O)[O-] 1800711044 KMLGXMVINVAZMR-BJWYYQGGSA-N 447.944 4.113 5 20 IIBD CC[C@H](C)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)[nH]n1 1815038578 AETRMOUIHBOBTG-OXJNMPFZSA-N 441.532 4.379 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC(C)(C)C)CC1 1826338084 NBWOTYJKPORXCW-IBGZPJMESA-N 445.560 4.278 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)ccc1F 1830564057 NMHUMWQEMCNEPU-LJQANCHMSA-N 443.475 4.182 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CCC2)CC1 1830729962 RUKMSVQQMCVHNF-FQEVSTJZSA-N 431.508 4.076 5 20 IIBD CC(C)(C)CCCCCC(=O)N1CCCC12CN(C(=O)Cc1cc(F)ccc1[N+](=O)[O-])C2 1846087646 XCWIBCRBJBKLKM-UHFFFAOYSA-N 447.551 4.476 5 20 IIBD COc1ccc([N+](=O)[O-])cc1OCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 10844706 LFLCEJRQWLFNRM-HNNXBMFYSA-N 443.506 4.483 5 20 IIBD COc1ccc(C(=O)C2CCN([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 14325360 RLRRFYPZLZMFTR-AWEZNQCLSA-N 445.903 4.179 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 16202631 DBFCGTJOIHYXEY-UHFFFAOYSA-N 430.508 4.184 5 20 IIBD COCCN(CC(C)C)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 25670306 ZPCAGSKTQSSJHJ-UHFFFAOYSA-N 436.512 4.121 5 20 IIBD CSc1ccc(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)cc1[N+](=O)[O-] 27983839 NQVMUGJQJOOUHW-UHFFFAOYSA-N 426.454 4.484 5 20 IIBD C[C@H](Sc1nc(-c2ccccc2Br)n[nH]1)C(=O)Nc1cccc([N+](=O)[O-])c1 28806405 YATJXYSJNNRSGS-JTQLQIEISA-N 448.302 4.262 5 20 IIBD Cc1csc(Sc2ccc(C(=O)OCC(=O)N3C[C@@H](C)C[C@H](C)C3)cc2[N+](=O)[O-])n1 28831657 QTYHCTIIGCELSW-STQMWFEESA-N 449.554 4.172 5 20 IIBD CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 60518478 DWTHOKWCMBOKAW-UHFFFAOYSA-N 446.312 4.183 5 20 IIBD CCN(C(=O)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)c1cccc2ccccc12 60826238 QLDUTSIGWFSQSD-UHFFFAOYSA-N 428.448 4.025 5 20 IIBD COc1cccc([C@H](Nc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)c2nccn2C)c1 60858537 YVHKBSQNQOFSAL-NRFANRHFSA-N 430.468 4.304 5 20 IIBD Cc1cccc(NC(=O)COc2ccc(CCNC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c1 64805577 YPOAJGLTPITKFB-UHFFFAOYSA-N 447.491 4.202 5 20 IIBD CC(C)C[C@H](C)N(C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc2[nH]ccc2c1 110047514 BMFLSTUYUVGQKV-HNNXBMFYSA-N 448.479 4.140 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)c1sc(COc2ccc(F)cc2)nc1C 195711575 SPNFQOMVWQNEGU-UHFFFAOYSA-N 431.445 4.016 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNCc1c(C)nn(-c2ccc(Br)cc2)c1C 237199529 VANCDDRQKMHINQ-UHFFFAOYSA-N 445.317 4.458 5 20 IIBD COc1cc(C=O)c(Br)cc1Oc1ncc([N+](=O)[O-])cc1Br 301490329 AOPROVCXAUUWMQ-UHFFFAOYSA-N 432.024 4.128 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@H](C)C3CCOCC3)c([N+](=O)[O-])c2)c(C)c1 301692559 YJKVKWIETQZNTG-MRXNPFEDSA-N 433.530 4.239 5 20 IIBD O=C(NCC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1)c1c(Cl)cccc1[N+](=O)[O-] 303663698 IAPYEEXQVFAESC-SFHVURJKSA-N 440.887 4.213 5 20 IIBD CCCCc1c(C)nc2nc(SCCC(=O)Nc3ccccc3[N+](=O)[O-])nn2c1C 409876159 UHEDLJPNJQZQID-UHFFFAOYSA-N 428.518 4.113 5 20 IIBD COC[C@@H](Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-])c1ccco1 426881955 GUIKCSDHRQACJP-LJQANCHMSA-N 445.497 4.405 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ncc(-c2ccc(Cl)cc2)s1 427481417 QQHDBGWDSZEHAI-LLVKDONJSA-N 430.873 4.129 5 20 IIBD CCCc1c(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cnn1-c1ccc(F)cc1 429348945 LMQHORJLWCEFLW-UHFFFAOYSA-N 434.431 4.310 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] 429974062 WZZHIGOIWIVZTP-UHFFFAOYSA-N 429.274 4.090 5 20 IIBD COc1cc(C(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)cc([N+](=O)[O-])c1OC 430498129 LPOKVDRTGDLVJL-UHFFFAOYSA-N 449.674 4.381 5 20 IIBD C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccc(NC(=O)NC2CC2)cc1 431637562 SLIWEMADILWNIL-NSHDSACASA-N 447.289 4.132 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc3c(c2)ncn3-c2ccccc2)cc1[N+](=O)[O-] 431742542 LNKQHAIAJBSXTP-MRXNPFEDSA-N 443.463 4.058 5 20 IIBD O=C(NCc1cccc(N2CCCC2=O)c1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436116704 WQHFFEHAZZWBSY-UHFFFAOYSA-N 447.441 4.016 5 20 IIBD COc1cc(C(=O)N[C@@H]2C[C@H]3OCCC[C@@H]23)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 438915318 CVSAUBROBISAFX-QMTMVMCOSA-N 432.860 4.346 5 20 IIBD COC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C[C@H](C)O1 439953475 WYRVTSJCHWXKMI-XJKSGUPXSA-N 436.917 4.275 5 20 IIBD Cc1ccc(C(=O)N(C[C@@H]2CCN(Cc3ccccc3)C2)CC(F)(F)F)cc1[N+](=O)[O-] 440429502 BYEPMQRZJKIDRZ-GOSISDBHSA-N 435.446 4.430 5 20 IIBD O=C(NCC1CC1)[C@@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 441844724 QNCAZNXVWTUDTG-QGZVFWFLSA-N 439.537 4.124 5 20 IIBD C[C@H](CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 443487291 GRMWZIBEIFIRGW-CQSZACIVSA-N 437.418 4.302 5 20 IIBD Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 443875892 FTZSUTQBMQDOJE-INIZCTEOSA-N 439.415 4.076 5 20 IIBD CCN(CC)C(=O)c1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 444856888 JZTWDZUXLZJUFR-UHFFFAOYSA-N 426.292 4.153 5 20 IIBD Cn1cnc([N+](=O)[O-])c1-c1noc(/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)n1 445580711 UGEADNDJVWDEDC-OUKQBFOZSA-N 439.435 4.401 5 20 IIBD COc1ccc(Cl)cc1C1(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCOCC1 447532129 SJBQMIPOAVKROF-MOPGFXCFSA-N 448.951 4.275 5 20 IIBD Cc1csc([C@H](NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)C2CC2)n1 460241372 HJSDVLONQLAYAD-GOSISDBHSA-N 425.514 4.102 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC(C(C)C)CC3)cc2)cc1[N+](=O)[O-] 461426438 NPZMUFWSWJSGSF-UHFFFAOYSA-N 445.541 4.212 5 20 IIBD C[C@@H]1[C@@H](C(F)(F)F)CCCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCOC1 461577495 MNRGMEGETDSOLU-CPUCHLNUSA-N 439.438 4.057 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)c1sc(-c2ccccc2)nc1C 461964538 KPUINONKPIXPNB-CZUORRHYSA-N 442.545 4.137 5 20 IIBD COc1ccccc1-c1noc(C2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)n1 470093275 XZHWHWDPLYMFAO-UHFFFAOYSA-N 442.859 4.327 5 20 IIBD C[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1ccccc1[N+](=O)[O-] 473640962 MPTXGEFZJIRQIK-IAQYHMDHSA-N 437.283 4.067 5 20 IIBD Cc1cc(C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)cc([N+](=O)[O-])c1 474544867 XJPDODKIEPLNAL-UHFFFAOYSA-N 432.318 4.060 5 20 IIBD COc1ccccc1N1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 475213941 NWKCWIKPRRIZQR-ZDUSSCGKSA-N 438.406 4.270 5 20 IIBD CCOc1cc(CNc2cccc3c2CCO3)ccc1OCCn1c([N+](=O)[O-])cnc1C 475498230 YRLTUAMDIFFDKT-UHFFFAOYSA-N 438.484 4.124 5 20 IIBD Cn1cnnc1-c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c1 481772142 TWGNSUSWJVRRQG-UHFFFAOYSA-N 428.452 4.255 5 20 IIBD CCOc1ccc(-n2c(Sc3c([N+](=O)[O-])ncn3C)nnc2-c2ccc(F)cc2)cc1 481834843 DURLEEZQDYZODD-UHFFFAOYSA-N 440.460 4.265 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1cc2ccc(Br)cn2n1 482189287 VUHUNEVCXFWPGS-UHFFFAOYSA-N 438.669 4.023 5 20 IIBD COc1cc(CN[C@H](C)c2ccc(Br)cn2)c([N+](=O)[O-])cc1OC(F)F 482950546 ABAAAZBZWYXGMW-SECBINFHSA-N 432.221 4.213 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCC[C@@H]2C(=O)OC(C)(C)C)cc1[N+](=O)[O-])c1ccccn1 483674387 XMIQHEKMFSDBEB-HNAYVOBHSA-N 440.500 4.109 5 20 IIBD O=C(O)CC1CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 485480761 RLHSVGJSCSLTMY-UHFFFAOYSA-N 431.876 4.187 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)c(C)c([N+](=O)[O-])c1 486863718 BIOPFVAGKVNDIS-FQEVSTJZSA-N 438.415 4.135 5 20 IIBD COC(=O)c1cc(NC(=O)NCCc2csc(-c3ccccc3)n2)c(C)c([N+](=O)[O-])c1 486873644 TURWPBACOALLJP-UHFFFAOYSA-N 440.481 4.178 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 487317722 XDZWOGCADCPZIQ-UHFFFAOYSA-N 447.211 4.050 5 20 IIBD O=[N+]([O-])c1cc(CNS(=O)(=O)Cc2cccc(C(F)(F)F)c2)cc(C(F)(F)F)c1 487369276 PIBPNRHACOYLSR-UHFFFAOYSA-N 442.337 4.252 5 20 IIBD Cc1c(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cccc1N1CCNC1=O 488657432 HLYGGBRBFNKPCD-UHFFFAOYSA-N 431.452 4.429 5 20 IIBD C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 488976627 HWOWDNAJLBOZRM-GOSISDBHSA-N 449.511 4.034 5 20 IIBD COc1cc(OC)c(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1Br 491074217 GRMYTHKGLURISB-JTQLQIEISA-N 441.303 4.494 5 20 IIBD COc1cc(C(=O)N[C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)c([N+](=O)[O-])cc1OC(F)F 491573981 LDAGODIBCKDCMP-GFCCVEGCSA-N 445.422 4.282 5 20 IIBD COC(=O)CCCN(Cc1ccccc1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 493006196 VIRUCVVSKGXREY-UHFFFAOYSA-N 439.493 4.314 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cnc(-c2cccc(O)c2)nc1 495300128 OUEIZQLXGMHCKV-UHFFFAOYSA-N 429.230 4.081 5 20 IIBD O=[N+]([O-])c1cncc(Br)c1N1CCO[C@@H](c2cccc(Br)c2)C1 500252964 LJDFZJFONBLVDI-CQSZACIVSA-N 443.095 4.093 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCCCn3cnc4ccccc43)cc2[N+](=O)[O-])C1 500506454 DBCFWBQWWMSGMN-QZTJIDSGSA-N 435.528 4.247 5 20 IIBD O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 502050772 RXUUMFMITQPJQQ-MRXNPFEDSA-N 440.374 4.346 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@H]2c2c(C)nn(-c3ccccc3F)c2C)c1 504354990 GJDOGHOHWTUMOD-NRFANRHFSA-N 438.459 4.059 5 20 IIBD O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 504927414 ZVBASFHVBTWUSK-UHFFFAOYSA-N 442.369 4.029 5 20 IIBD C[C@@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 505491616 QIPHIDQPXNYHQY-MRXNPFEDSA-N 438.528 4.250 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(F)cc2OCC(F)(F)F)cc1OC 505562748 WPSAFUZODAYOIQ-UHFFFAOYSA-N 432.326 4.335 5 20 IIBD O=C(CN[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc21 505828546 ZRZPBEYXZLIJDT-QGZVFWFLSA-N 447.335 4.396 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)Nc2ccc(O)cc2)CC1 506179310 RZJCLCJILQEVCM-UHFFFAOYSA-N 443.525 4.293 5 20 IIBD O=[N+]([O-])c1cc(CN2CCN(c3cnccn3)CC2)ccc1Oc1ccccc1Cl 507431428 FJJKPXOCKSKZNI-UHFFFAOYSA-N 425.876 4.153 5 20 IIBD COc1ccc(CNC(=O)N2CCc3c(Br)cccc3[C@@H]2C)cc1[N+](=O)[O-] 508814829 XSSGGCWBONGUJJ-LBPRGKRZSA-N 434.290 4.195 5 20 IIBD COc1cc(O)cc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c1 510872170 KRNHYMFLBAXNPI-UHFFFAOYSA-N 444.447 4.343 5 20 IIBD COc1ccc(-c2ccc(C)c(NC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)c2)cn1 513025809 KOFCORQXROHBFS-UHFFFAOYSA-N 429.436 4.412 5 20 IIBD CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 513443592 JKQNCALRWUEXQP-AWEZNQCLSA-N 445.324 4.056 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(Cc2ccc(Br)s2)CC1 515233721 YLJJRGTXGKJXAL-UHFFFAOYSA-N 439.335 4.077 5 20 IIBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H](Cc1ccc(Cl)cc1)c1ccccc1 515986178 YSJGBXJQMWDMOG-OAQYLSRUSA-N 437.883 4.078 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1ccc(Sc2nncs2)cc1 517915245 RJYIKNUGJJOAPJ-UHFFFAOYSA-N 428.904 4.052 5 20 IIBD C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(OCC(F)(F)F)cc1 517946755 VMYNTUXFDOEFOK-SNVBAGLBSA-N 438.811 4.229 5 20 IIBD COCCN([C@@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] 519890736 NWZPXNPAQYZTLY-AWEZNQCLSA-N 446.447 4.320 5 20 IIBD COc1ccccc1CN(C[C@H]1CCCO1)C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 520410247 WVYUTWUVNKXYEY-CRAIPNDOSA-N 448.903 4.232 5 20 IIBD CS(=O)(=O)c1cc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCCC2)cc([N+](=O)[O-])c1 521515111 PMAUDGZVZJFPOM-LJQANCHMSA-N 436.917 4.313 5 20 IIBD Cc1nc(-c2ccco2)ccc1C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 522391324 POMLASRQLQMRLQ-LJQANCHMSA-N 437.452 4.371 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 522578358 HYPMDNXNLVMNMR-HNNXBMFYSA-N 442.859 4.083 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccc(Cl)cn3)cc2)cc1[N+](=O)[O-] 522879792 AKQCFGZMZDIELH-UHFFFAOYSA-N 446.872 4.005 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCOCC2)c2ccncc12 524609651 IUEHEPWRNMRKQT-UHFFFAOYSA-N 449.511 4.124 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cccnc3-c3cnn(C)c3)cc2[N+](=O)[O-])C1 526044430 GAWVKVMEVHTHHI-IYBDPMFKSA-N 434.500 4.125 5 20 IIBD Cc1cc(S(=O)(=O)N(C)[C@@H](c2ccncc2)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] 530664357 QWPMEKFHOYDRED-HXUWFJFHSA-N 431.901 4.362 5 20 IIBD O=C(Nc1ccccc1)Nc1ccc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)s1 531337444 RPKOZHDXBWUXQJ-UHFFFAOYSA-N 426.454 4.109 5 20 IIBD C[C@@H](NCc1ccc(N2CCN(C)CC2)nc1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 531989496 ADBAYFZCVSALJR-QGZVFWFLSA-N 437.569 4.321 5 20 IIBD Cc1ccc(Cn2cccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])c2=O)cc1 532822859 WPIOYVIPOKOWSR-OAHLLOKOSA-N 441.871 4.173 5 20 IIBD O=C(N[C@H](Cc1ccc(Cl)cc1)c1ccccn1)c1cc([N+](=O)[O-])cc2c1OCCO2 534333188 VJTQTPBKNRUCFJ-LJQANCHMSA-N 439.855 4.128 5 20 IIBD CC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccc(C)cc1)n1cncn1 535882488 HYEAZEOACDEZIZ-MJGOQNOKSA-N 428.880 4.338 5 20 IIBD C[C@H](NC(=O)c1cc(I)ccc1Cl)c1ccccc1[N+](=O)[O-] 538238209 GQYLBNCTSYZJRA-VIFPVBQESA-N 430.629 4.344 5 20 IIBD C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 538328546 AHYVAMXDDBQIPC-LJQANCHMSA-N 430.508 4.393 5 20 IIBD CCO[C@H](C)c1noc(CN(C)Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)n1 538724304 CUYNUFJJGHIJHD-MRXNPFEDSA-N 425.489 4.475 5 20 IIBD Cn1cnnc1CSc1nc2cc([N+](=O)[O-])ccc2n1-c1cccc(C(F)(F)F)c1 538951409 SILOPQQNZODTIF-UHFFFAOYSA-N 434.403 4.373 5 20 IIBD O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c1 539421121 ANEUKFHMPNKSJB-ZBFHGGJFSA-N 438.324 4.247 5 20 IIBD CC(C)Oc1ccc([C@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 540361424 FNNGYYJZEJYTEP-ZDUSSCGKSA-N 436.306 4.434 5 20 IIBD O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1Br 540442892 ZEOJNCGRCUBXDD-JKSUJKDBSA-N 425.666 4.271 5 20 IIBD Cc1nc(-c2ccccc2)ccc1C(=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc12 540468160 MIQHWNINTAIRMK-UHFFFAOYSA-N 442.479 4.140 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 541109655 LDMHAICMSYZBQJ-CQSZACIVSA-N 445.829 4.053 5 20 IIBD CCc1ccc2c(c1)[C@@H](CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N2 541423353 RKHRLVJGHSEQRD-CQSZACIVSA-N 433.917 4.145 5 20 IIBD COc1cc(CN[C@H](C)c2noc(Cc3ccccc3)n2)c([N+](=O)[O-])cc1OC(F)F 541692638 WWONHAHKKVKHCW-GFCCVEGCSA-N 434.399 4.029 5 20 IIBD Cc1cc(C(=O)NCC(=O)Nc2ccc(Oc3ccncc3)c(Cl)c2)ccc1[N+](=O)[O-] 542055178 JFJYADOGSXJAIM-UHFFFAOYSA-N 440.843 4.112 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCOCC2(CCOCC2)C1 544220602 XMEMRGOCBDIECE-UHFFFAOYSA-N 446.887 4.310 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c1 544660442 RKMVFRHAFMUHMG-QGZVFWFLSA-N 442.497 4.178 5 20 IIBD COc1cc(Cc2noc(-c3cncc(-c4ccc5c(c4)CCO5)c3)n2)ccc1[N+](=O)[O-] 545777135 HUDYUJNXNKCEDZ-UHFFFAOYSA-N 430.420 4.241 5 20 IIBD Cc1c(C(=O)CSc2nc3cc([N+](=O)[O-])ccc3c(=O)n2C)sc2ccccc12 545819725 MZXQWYSXEXFPBQ-UHFFFAOYSA-N 425.491 4.340 5 20 IIBD O=C(Nc1ccc2c(c1)N(CC(F)F)CCS2)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 551358320 VKTCESWBTJLNCD-UHFFFAOYSA-N 445.451 4.210 5 20 IIBD O=C(Nc1ccc2nc(C(F)F)sc2c1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 552380651 FZJPCQGTPOGWGD-UHFFFAOYSA-N 446.391 4.048 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1SC 557115278 RDKZCEWJPDSWLT-QHCPKHFHSA-N 441.553 4.064 5 20 IIBD COc1ccc(CSCc2nc(CC(=O)Nc3ccc(Cl)cc3)no2)cc1[N+](=O)[O-] 557956521 IDNZOHHQSSNFLX-UHFFFAOYSA-N 448.888 4.254 5 20 IIBD C[C@@H](Oc1ccccc1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)C(F)(F)F 558219429 CILJIFABFRDVHS-CQSZACIVSA-N 438.406 4.279 5 20 IIBD COc1ccc(Br)c(C(=O)NCCCNc2ccc([N+](=O)[O-])cc2Cl)c1 561596101 KKCYXJPKBZTMJB-UHFFFAOYSA-N 442.697 4.251 5 20 IIBD CC(=O)N(c1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1)[C@H]1C[C@@H]1C 563471576 FPBBMSFNZCGUKV-ZANVPECISA-N 438.303 4.432 5 20 IIBD COc1ccc(CSCC(=O)N2C[C@@H]3CCCCN3c3ccccc32)cc1[N+](=O)[O-] 564720225 XDQDOJAQHTZEBT-KRWDZBQOSA-N 427.526 4.242 5 20 IIBD CN1CCC[C@]2(CCN([C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c3ccccc3)C2)C1 571065390 WJWMKYSFFNBDDV-GGAORHGYSA-N 442.947 4.346 5 20 IIBD O=C(c1csc([N+](=O)[O-])c1)N(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 573470744 QAIWHVAJXLKKJH-NRFANRHFSA-N 436.537 4.358 5 20 IIBD COc1cc(Cc2noc([C@H](C)Oc3ccc4c(c3)CCC4)n2)c([N+](=O)[O-])c(OC)c1 574360317 SMOBSSVJHRADBG-ZDUSSCGKSA-N 425.441 4.215 5 20 IIBD O=C(NCCc1cnc(SC2CCCC2)nc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 574865481 JRBSVLKVCVPHHP-UHFFFAOYSA-N 444.560 4.479 5 20 IIBD CCC[C@@]1(CO)CCN(C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 579299409 WTDCCTGLFCWYKZ-HSZRJFAPSA-N 442.537 4.172 5 20 IIBD Cc1ccc(NC(=O)N2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)cc1[N+](=O)[O-] 581571166 BWPKRTDAGRBCHR-QGZVFWFLSA-N 425.363 4.407 5 20 IIBD CN(Cc1ccc(Br)cc1Cl)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 584088677 VMDBBTZFUIUONC-UHFFFAOYSA-N 427.638 4.012 5 20 IIBD O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCCN2c3ccccc3C[C@@H]2C1 589541705 DCQDHNVTHGZNLA-JOCHJYFZSA-N 442.519 4.484 5 20 IIBD CC(C)(C)c1ccc(Oc2ccc([C@H]3NC(=O)[C@H]4CSCCN43)cc2[N+](=O)[O-])cc1 602757618 NSKDYLHTXHQTSJ-QUCCMNQESA-N 427.526 4.230 5 20 IIBD COC(=O)[C@@H]1CN(C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)c2ccccc2O1 603277653 RYEMLMKFXNOYMI-IBGZPJMESA-N 444.509 4.314 5 20 IIBD C[C@H]1CN(Cc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)cc2)C[C@H](C)O1 603638175 GZEKZIJDLFJLGS-KBPBESRZSA-N 435.427 4.058 5 20 IIBD CCCCn1c(=O)c2ccccc2n2c(SCc3ccc(OC)c([N+](=O)[O-])c3)nnc12 603722153 NXTVYCCYGMRSOE-UHFFFAOYSA-N 439.497 4.053 5 20 IIBD COc1ccccc1CN(Cc1cccs1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 603941045 PKHHONMHMTUKDV-UHFFFAOYSA-N 426.450 4.236 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cccnc2Oc2cccc(C)c2C)cc1[N+](=O)[O-] 603985147 ADUJVSSECGOGQG-UHFFFAOYSA-N 429.454 4.208 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2C(=O)N2CCC(C)CC2)cc1OC 604012964 JDCQVWLNAZLCMS-UHFFFAOYSA-N 441.484 4.127 5 20 IIBD CCOc1cc(C(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OC 604257195 AOGNFDXWXLCPGV-AOOOYVTPSA-N 444.328 4.205 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(-c3nc(C)c(C)o3)cc2)ccc1[N+](=O)[O-] 608805401 BUPOOOKPUMMYHH-NRFANRHFSA-N 448.479 4.418 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N[C@H]1CCSc2ccc(F)cc21 609030540 WOKGOTGDMJYQQC-LBPRGKRZSA-N 447.307 4.012 5 20 IIBD CCCOc1ccc(CNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])cn1 609350621 BWAGYMMHLHEJGV-UHFFFAOYSA-N 442.497 4.192 5 20 IIBD CCNc1ccc(C(=O)Nc2ccccc2CS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 609375889 RYDHXHQEAHIUJJ-UHFFFAOYSA-N 439.493 4.253 5 20 IIBD Cc1[nH]nc(C(=O)N2CCCc3c(NC(=O)CC4CCCCC4)cccc32)c1[N+](=O)[O-] 609462794 GTFJOEHFDAHNBH-UHFFFAOYSA-N 425.489 4.128 5 20 IIBD CN(c1ccc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1)S(C)(=O)=O 609544988 HTZPIEBGZDQIBM-UHFFFAOYSA-N 431.539 4.009 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1OC 609761559 SUJFEPHENDKNAM-UHFFFAOYSA-N 430.438 4.205 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)Cc1csc(-c2ccoc2)n1)c1ccccc1[N+](=O)[O-] 609973855 UDOZVOIINKXZGB-KRWDZBQOSA-N 443.481 4.053 5 20 IIBD Cc1ccc(NCCCNC(=O)c2cccc(NC(=O)c3cccs3)c2)c([N+](=O)[O-])c1 610053020 WPPQZXNZJHDQEK-UHFFFAOYSA-N 438.509 4.449 5 20 IIBD COC(=O)c1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)ccc1OC 611199582 KPENUHUXECQRFM-UHFFFAOYSA-N 444.509 4.355 5 20 IIBD O=C(N[C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)c1ccc([N+](=O)[O-])c2cccnc12 612132824 LRNDBLZXRBCPPA-STZQEDGTSA-N 430.508 4.174 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CC(c2nc3ccccc3[nH]2)C1 672858049 ADVOBVDHKBAYNM-UHFFFAOYSA-N 430.414 4.075 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NCc1ccc(Oc2cccc(F)c2)nc1 725829582 AZAQTIZKEPTKRK-UHFFFAOYSA-N 437.836 4.053 5 20 IIBD C[C@H](OC(=O)Cc1cccc(Br)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 725983767 JDDLTBRHCSCMQB-JTQLQIEISA-N 441.665 4.124 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c2ccccc2)cc1 727565833 MXYPZGCDASCOLG-NRFANRHFSA-N 448.431 4.211 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 730246305 URGIZYHKJVSHRL-LSDHHAIUSA-N 437.562 4.227 5 20 IIBD CC(C)COc1ccc(C2(C(=O)OCC(=O)N(C)c3ccc([N+](=O)[O-])cc3)CCC2)cc1 731739171 GODFKZKBXHXUPQ-UHFFFAOYSA-N 440.496 4.258 5 20 IIBD O=C(OCc1ccccc1C(F)(F)F)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 732497150 HZLZXCDXICFUCF-CYBMUJFWSA-N 428.388 4.023 5 20 IIBD COC(=O)c1cc(NC(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)cc([N+](=O)[O-])c1 735828233 KZOQDULJZOOPFJ-UHFFFAOYSA-N 442.859 4.149 5 20 IIBD O=C(Nc1ccc(C(=O)OCc2c(F)cccc2[N+](=O)[O-])c(O)c1)c1cc(F)cc(F)c1 741009094 AJBITVUXIGWOTI-UHFFFAOYSA-N 446.337 4.327 5 20 IIBD O=C(C1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1)N(Cc1ccccc1)C1CC1 741170243 QIOUXBYEKFLDIS-UHFFFAOYSA-N 438.553 4.195 5 20 IIBD Cc1nc(-c2ccc(Br)cc2)c(NC(=O)c2cc(F)ccc2[N+](=O)[O-])n1C 741606910 UWVCHHQWLZYJQN-UHFFFAOYSA-N 433.237 4.458 5 20 IIBD C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 741773316 SJCLIVNKBKVRNT-HNNXBMFYSA-N 427.892 4.105 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)OCc2cccc(Cl)n2)cc1[N+](=O)[O-] 744460782 XDKCURIUXWLZSV-UHFFFAOYSA-N 439.855 4.297 5 20 IIBD O=C(COC(=O)c1ccc(OCc2cccnc2)cc1)Nc1ccc(Cl)cc1[N+](=O)[O-] 746957018 LDTGSYAJFOVNAA-UHFFFAOYSA-N 441.827 4.018 5 20 IIBD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nc(-c2ccc(Cl)cc2)n1 751855018 AGWLXQPEPNSOIP-CYBMUJFWSA-N 440.843 4.198 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nc(-c2ccc(Cl)cc2)n1 751861053 SBDVZCKMNZBWFQ-ZDUSSCGKSA-N 440.843 4.198 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)cc1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 753908261 HDOMBXUVBZPTOC-UHFFFAOYSA-N 426.473 4.251 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)C[C@H]2CSCCS2)c2ccccc2)c([N+](=O)[O-])c1 759807003 HPBBKBQLIKOJEE-OXJNMPFZSA-N 446.550 4.365 5 20 IIBD Cc1cc(C)n(-c2ccccc2CNC(=O)c2cc([N+](=O)[O-])ccc2Br)n1 760726255 UXVSNSDLOMWYHD-UHFFFAOYSA-N 429.274 4.090 5 20 IIBD CC[C@H](C)n1ncc(C(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)c1C1CC1 760980826 MOWWTTWDUXTTDE-HNNXBMFYSA-N 427.505 4.108 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(-c2nc([C@H]3CCCS3)no2)cc1 762230292 FMABZGAIILYPLP-MRXNPFEDSA-N 447.494 4.289 5 20 IIBD CCC(CC)(CCO)CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 762780036 YMNAPRZMYHUDLR-UHFFFAOYSA-N 447.919 4.419 5 20 IIBD C[C@H](OC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N(c1nccs1)C1CCCCC1 763397188 DMNUWFANOMLZLZ-CABCVRRESA-N 431.514 4.452 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)c1F 764459924 CPDVQNWGQNYSGX-UHFFFAOYSA-N 431.427 4.220 5 20 IIBD O=C(Nc1ccccc1C(=O)N[C@@H]1CCCc2c[nH]nc21)c1ccc([N+](=O)[O-])cc1Cl 766691780 LMRVBQLTHSJCQL-GOSISDBHSA-N 439.859 4.031 5 20 IIBD CC(C)Cn1ncc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1C1CC1 768649699 VQCPDGMWMVFQNN-LBPRGKRZSA-N 434.880 4.162 5 20 IIBD CC(=O)[C@H](Cc1ccc(F)c(F)c1F)OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 768878711 SEORTLMGIZTNPC-FQEVSTJZSA-N 439.389 4.456 5 20 IIBD C[C@@H](CC(=O)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1)c1ccncc1 768961180 KYQUTBQPVYOKGO-FXAWDEMLSA-N 425.485 4.112 5 20 IIBD COc1cc(/C=C(/Cl)c2nnc(C(=O)NCc3ccc(F)cc3)s2)ccc1[N+](=O)[O-] 770570803 KFHLCANBJZLWEA-RIYZIHGNSA-N 448.863 4.261 5 20 IIBD CCn1nccc1C(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 775019636 DNNKBJWYAJBGNB-SFHVURJKSA-N 428.832 4.001 5 20 IIBD C[C@@H](c1cc2ccccc2o1)N(C)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 778887990 PRSCBMJPDCVGBD-LBPRGKRZSA-N 448.378 4.319 5 20 IIBD CC(C)(C)c1ccc(N2CCC(NS(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)CC2)cc1 779878267 DJFVCIQFMHJOCX-UHFFFAOYSA-N 445.585 4.023 5 20 IIBD C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 780961020 OQCRHQAWGWPXBG-CVEARBPZSA-N 435.524 4.057 5 20 IIBD COc1cc(C(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc(OC)c1C(C)C 781451928 GKRLXJPAGOLAKY-UHFFFAOYSA-N 443.500 4.204 5 20 IIBD COc1cc(COC(=O)c2cccc([N+](=O)[O-])c2Br)ccc1OC(F)F 781675332 SWMFPJGVIQSIQH-UHFFFAOYSA-N 432.173 4.324 5 20 IIBD Cc1c(C)n(C[C@@H]2CCCO2)c2ncnc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c12 782573475 BLRCPFVXUHBOON-AWEZNQCLSA-N 429.864 4.041 5 20 IIBD COCc1nc(COC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cs1 783110037 KWKIHAAIMZSNRY-ZDUSSCGKSA-N 428.470 4.123 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2C[C@@H]3[C@@H](CCC[C@H]3NC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] 784349473 DTKICELJESAEFM-GDAAHCPNSA-N 446.548 4.299 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC([C@H](O)c2ccccc2)CC1 785822503 QINODSRVSPUDEN-LJQANCHMSA-N 433.302 4.252 5 20 IIBD Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)Sc1nc2ccc([N+](=O)[O-])cc2s1 788013361 QSNIOTQZSMMCLH-CYBMUJFWSA-N 444.538 4.057 5 20 IIBD Cc1cnc(COC(=O)C2(c3ccc(Br)cc3)CCOCC2)c(C)c1[N+](=O)[O-] 789445014 ACRPHGXAXGKYHN-UHFFFAOYSA-N 449.301 4.161 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)CC2)CC1 790584319 PLHWGEPIOJMMBS-UHFFFAOYSA-N 436.484 4.379 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc(-c2ccccc2)n2c1CCCCC2 791695823 SECNHNYAXIHDMV-UHFFFAOYSA-N 436.424 4.450 5 20 IIBD CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 793488749 PJBQCSIMBOOCEU-OAHLLOKOSA-N 445.438 4.131 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)CCC(=O)N2COC 793906724 OLGVKRSUHQFLFE-UHFFFAOYSA-N 429.498 4.232 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(SCCc3ccc([N+](=O)[O-])cc3)o2)C1 795261451 LDMUVQHWPIGQGB-OAHLLOKOSA-N 434.518 4.427 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1c(-c2cccc(Cl)c2)noc1C 796388614 IFXJRLAELKYCEO-UHFFFAOYSA-N 429.816 4.316 5 20 IIBD CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1Br 801043158 BVKFMWJMMGFMLO-GOSISDBHSA-N 446.345 4.388 5 20 IIBD CC(C)N(Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)cc1)C[C@H]1CCCCO1 801937247 IGZVWWVIKQTYBW-GOSISDBHSA-N 444.507 4.348 5 20 IIBD O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1cc(F)c(C(F)(F)F)cc1F 805871084 GDSDYWSGFFDYET-UHFFFAOYSA-N 445.344 4.360 5 20 IIBD Cc1cccc([C@@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c2ccccn2)c1 809829667 FYCAZRJGNOJRNQ-LJQANCHMSA-N 435.864 4.159 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 809914788 OASGXKQPFLHMOP-OAHLLOKOSA-N 427.791 4.455 5 20 IIBD O=C(NCc1cccc(C(=O)NCc2ccco2)c1)Nc1cccc([N+](=O)[O-])c1Cl 809918602 YBYLVIMFRRYNNS-UHFFFAOYSA-N 428.832 4.093 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1ccc(N2CCCCC2=O)cc1 811009953 UFFHJEMRFGQDND-HOTGVXAUSA-N 427.526 4.470 5 20 IIBD CC(C)C(=O)Nc1nc(CC(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cs1 811214913 IUXCZQODOHQJEE-UHFFFAOYSA-N 446.510 4.055 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C2)C1 814428590 LIPZUBOECAATLQ-CVEARBPZSA-N 435.496 4.233 5 20 IIBD CC(C)[C@H](NC(=O)c1cccs1)C(=O)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F 815183463 WEGMGIUCNBOLMJ-HNNXBMFYSA-N 430.404 4.173 5 20 IIBD COc1cc(N2CCC(OC(=O)c3ccc(OC(F)F)c(F)c3)CC2)ccc1[N+](=O)[O-] 815957823 OUMFMYCUYBCTHH-UHFFFAOYSA-N 440.374 4.170 5 20 IIBD O=C(CSc1cc(Cl)ccc1Cl)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 823142434 SAFNQRAROHAUIV-UHFFFAOYSA-N 441.292 4.126 5 20 IIBD CC1=C(C(=O)N(C)C)[C@H](c2ccc(C)c([N+](=O)[O-])c2)NC(=S)N1c1ccccc1Cl 887570972 PASZZUFXIVBQBJ-IBGZPJMESA-N 444.944 4.355 5 20 IIBD COc1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1OC1CCCC1 914564604 QFCHWIUVKSJZTE-UHFFFAOYSA-N 426.878 4.379 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1CCN(C(=O)CCc2ccccc2)CC1 914849449 JHSXFOWNWDENIQ-UHFFFAOYSA-N 443.931 4.078 5 20 IIBD C[C@H](OC(=O)[C@H](C)Oc1cccc(Cl)c1Cl)C(=O)Nc1ccccc1[N+](=O)[O-] 915498396 INYQSLXKVRDLBS-QWRGUYRKSA-N 427.240 4.239 5 20 IIBD O=C(CSc1nnc(-c2ccccc2)c2ccccc12)NC(=O)c1cccc([N+](=O)[O-])c1 916599525 SQFIOKZYKMSWSS-UHFFFAOYSA-N 444.472 4.254 5 20 IIBD O=C(Nc1ccc(O)cc1)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 917365300 VTHXGTANJSMSMQ-UHFFFAOYSA-N 447.856 4.007 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](Cn1cncn1)c1ccc(Cl)cc1 917401825 MBVBHLGBVYJWPU-SCLBCKFNSA-N 432.889 4.305 5 20 IIBD COc1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccc(F)cc2)cc1 919995359 GSHVBCBUDAUYCF-HXUWFJFHSA-N 425.372 4.170 5 20 IIBD COc1cccc([C@@H](C)C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 920560409 GTMFTENGVWDVAC-VXGBXAGGSA-N 440.374 4.296 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N1CC[C@@H]2OCCC[C@@H]2C1 1116344233 QKAFSRXZDSBGJX-CZAAIQMYSA-N 429.904 4.429 5 20 IIBD COc1ccc(Br)cc1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 1317917800 JNPVASWCBJSFAJ-SECBINFHSA-N 428.670 4.458 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1cnn(C2CCCCC2)c1)c1ccccc1[N+](=O)[O-] 1318409868 RHYUVOWWGSRYAF-IBGZPJMESA-N 428.489 4.109 5 20 IIBD CCOC(=O)c1ccn(-c2cccc(NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)c2)n1 1320351928 KPCOLIFOAFPTQK-UHFFFAOYSA-N 449.467 4.154 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)CC1 1320654953 CZYCOUUNZNWKDS-UHFFFAOYSA-N 431.533 4.167 5 20 IIBD CCc1cnc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CCC2)s1 1785750794 RRQIXHWAXLAFPO-UHFFFAOYSA-N 440.481 4.268 5 20 IIBD O=C(CC1CC1)Nc1ccc(C2(NC(=O)Cn3ccc4ccc([N+](=O)[O-])cc43)CCC2)cc1 1787822090 RPAYWRZGDMVVSO-UHFFFAOYSA-N 446.507 4.484 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3sccc3Cl)CCC2)cc1)c1n[nH]cc1[N+](=O)[O-] 1789690367 DSXAIIGBDVSAHH-UHFFFAOYSA-N 445.888 4.094 5 20 IIBD CCc1cnc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])[nH]4)cc3)CCC2)s1 1790186728 PQTRLIUAYSSHJC-UHFFFAOYSA-N 439.497 4.003 5 20 IIBD C[C@@H](C(=O)NC1(c2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2)CCC1)n1cccc1 1790622903 KPALMYVOPQUNLF-INIZCTEOSA-N 448.479 4.111 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)NC1(c2ccc(NC(=O)[C@H]3C[C@]3(F)Cl)cc2)CCC1 1791669610 JACAQTTUWMHZQN-IGFDDSCKSA-N 447.850 4.260 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@@H]3C[C@@]3(F)Cl)cc2)CCC1)c1ccc([N+](=O)[O-])cc1F 1791672676 DBLOPEKMKGLWMD-KKSFZXQISA-N 449.841 4.406 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)[nH]n1)c1ccccc1 1820404048 MAEBSILRXGFHRR-IBGZPJMESA-N 437.431 4.077 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCC([C@@H]2CCCCN2C(=O)C2CCCC2)CC1 1826250812 FMQUZWZEIWPKJW-MFUYTVRRSA-N 429.517 4.011 5 20 IIBD CCC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C)c([N+](=O)[O-])cn3)CC2)CCC1 1828475791 FRNQAZLTWCQAHW-HXUWFJFHSA-N 442.560 4.112 5 20 IIBD CCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1831384593 PQXBJOATUKXVLH-LHUXKHBRSA-N 431.533 4.257 5 20 IIBD C[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1)c1cccs1 1832147425 RDXGRBPESJUWAX-YJBOKZPZSA-N 444.557 4.021 5 20 IIBD CC[C@H](C)CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 1832694864 WESAYDRTYMOZPB-PXNSSMCTSA-N 445.560 4.273 5 20 IIBD CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 14345329 HMPMJGVRANEGIZ-SIIHOXLZSA-N 426.897 4.207 5 20 IIBD NC(=O)c1ccc(NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c([N+](=O)[O-])c1 15118066 RIHAQVPRUAMDJJ-UHFFFAOYSA-N 431.427 4.298 5 20 IIBD CCNc1ccc(C(=O)O[C@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1[N+](=O)[O-] 15648923 TYMFEPWXKYOMNA-GFCCVEGCSA-N 435.864 4.181 5 20 IIBD COc1ccc(Br)cc1CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 16591890 LXUSJIOXUFXGGW-UHFFFAOYSA-N 442.697 4.090 5 20 IIBD O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 18235214 ZFFSJIGWTZQENC-UHFFFAOYSA-N 428.304 4.264 5 20 IIBD CSc1nc2nc(C)c(CC(=O)OCc3nc4ccccc4c4ccccc34)c(C)n2n1 19615838 YXMNVAOEOLIGMT-UHFFFAOYSA-N 443.532 4.450 5 20 IIBD Cc1cccc(-c2nnc(S[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)c1 22212411 CHZYKGYNGKYXGS-GFCCVEGCSA-N 431.905 4.471 5 20 IIBD C[C@@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)Cc1c(F)cccc1Cl 22548210 PSSSGVLWYKTGBB-SNVBAGLBSA-N 429.231 4.245 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]1c1nc2ccccc2s1 26921343 PKGGPYPGQCNMKX-KRWDZBQOSA-N 426.498 4.379 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)NCc2cc(F)cc(F)c2)cc1[N+](=O)[O-] 30482525 NRVDSKYNIIFNTF-UHFFFAOYSA-N 439.418 4.100 5 20 IIBD CNC(=O)c1ccc(CN(C)C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)cc1 31531461 DGPWSWKOHVBJDW-UHFFFAOYSA-N 429.542 4.365 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2cccc(C(=O)N(C)C)c2)cc1[N+](=O)[O-])c1ccccn1 64781558 JEXBGXQAOKNLQH-OAHLLOKOSA-N 433.468 4.117 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cccc(C(=O)Nc2ccncc2)c1 72062760 VEXGGTBCCTWHDL-UHFFFAOYSA-N 448.482 4.441 5 20 IIBD CCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 104548919 WQYCHZGWNYZGST-LLVKDONJSA-N 426.347 4.196 5 20 IIBD CCc1cc(NC[C@H](c2ccc(C)o2)N2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 108218603 UZJIVYPQQKKAQJ-HXUWFJFHSA-N 437.500 4.001 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(F)ccc2NC(=O)c2ccccn2)c1 108950150 ULXUBTCXOACCEF-UHFFFAOYSA-N 426.429 4.355 5 20 IIBD CC(C)(C)c1nc(CCNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)cs1 301886777 MLATWUVHGHURDF-UHFFFAOYSA-N 433.921 4.203 5 20 IIBD Cc1c([C@@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)oc2ccccc12 303428744 FGQDMGUXFIRPKO-UKRRQHHQSA-N 427.482 4.193 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 303653831 FRHMQVHMTPDKOB-LJQANCHMSA-N 439.512 4.453 5 20 IIBD Cc1ccc(CNC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)s1 410186470 FDFKGELHWNZQGN-UHFFFAOYSA-N 428.436 4.015 5 20 IIBD O=C(NCCSCCCO)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 427014015 FOQYSWZUESPWLA-UHFFFAOYSA-N 426.947 4.245 5 20 IIBD COC(=O)CC1(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)CCC1 427419282 DSXJNAHCFHEDIG-UHFFFAOYSA-N 448.859 4.265 5 20 IIBD CCN(CC)CCCNC(=O)c1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1Cl 428391150 VZMLKEVSDVXHIZ-UHFFFAOYSA-N 438.937 4.024 5 20 IIBD CN(CCCNC(=O)C1CCC1)C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 429412884 QMUSFYGIGIIDAB-UHFFFAOYSA-N 433.574 4.256 5 20 IIBD Cc1cc(Br)cnc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 430088335 WXHMGTATQZTEPL-UHFFFAOYSA-N 434.168 4.254 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N[C@@H](C(=O)O)C1CC1 431445074 LAPYPJZKNBWWPL-UMDONVSZSA-N 437.477 4.115 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 432726102 QZTHLNGRPCUSCK-IVZQSRNASA-N 437.431 4.370 5 20 IIBD Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 434365082 ZLVREABKVZKEJW-IBGZPJMESA-N 444.495 4.280 5 20 IIBD O=C(NCc1cccc(F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435520439 CMWYFKRBZOEWEQ-UHFFFAOYSA-N 431.470 4.202 5 20 IIBD O=C(Nc1cccc(Cl)c1N1CCOCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 435939143 WKMCSLVJMNDKBU-UHFFFAOYSA-N 433.895 4.424 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1OCc1nncn1-c1ccccc1 436214059 ZAFHZXVXBUBKGI-UHFFFAOYSA-N 426.230 4.065 5 20 IIBD O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1O 436967619 XTHCAVLQXRKWMQ-MRXNPFEDSA-N 438.267 4.241 5 20 IIBD CCN(CC)C(=O)c1cccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 438813490 XWTFOTSSPXDUBL-UHFFFAOYSA-N 446.312 4.184 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl 439765996 GMQVQIVMKJSZMP-NSHDSACASA-N 440.283 4.458 5 20 IIBD COc1cc(CCNC(=O)c2ccc(-c3csc(C)n3)cc2)c([N+](=O)[O-])cc1OC 442431130 NWINKYSZIAEWNI-UHFFFAOYSA-N 427.482 4.016 5 20 IIBD C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)Oc1ccc(F)cc1 444104354 XSHVTBVMFGIFKH-LBPRGKRZSA-N 426.394 4.296 5 20 IIBD CC(C)Oc1ccc2ccccc2c1CNC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 446894160 YBFLXBMIQAJIAB-UHFFFAOYSA-N 433.468 4.411 5 20 IIBD COc1cccc(N2CC[C@H](Nc3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])C2)c1 447691596 TWEQZTZLPDRGOH-NSHDSACASA-N 432.349 4.343 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1nc(-c2cccc(Br)c2)no1 448083209 YTKDTABWUZSTPX-UHFFFAOYSA-N 432.234 4.037 5 20 IIBD Cc1ccc(C(C)(C)CN(C)C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 460513958 OQGIYJICTHWHRO-UHFFFAOYSA-N 439.541 4.233 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@H]3Cc3ccccc3)n2C[C@H]2CCOC2)c1 461367027 QIVXODGJMSNGFL-CTNGQTDRSA-N 433.512 4.101 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCc4ccc(Cl)cc4C3)n2C[C@@H]2CCOC2)c1 461531739 FJJPAOLRWPKYIB-HNNXBMFYSA-N 439.903 4.106 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCOC1 461651389 WUDJXEGBWMHUBM-QGZVFWFLSA-N 446.511 4.050 5 20 IIBD COc1ccccc1-c1ccc([C@@H](C)NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 462495936 RJSJJQKONCHZIT-MRXNPFEDSA-N 426.494 4.451 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F 463259111 OFOQCVSETMRFRV-UHFFFAOYSA-N 439.447 4.370 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] 463867468 CKHBEDRGJMFCFE-ZDUSSCGKSA-N 428.489 4.479 5 20 IIBD COc1cc(CN2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)c([N+](=O)[O-])cc1F 464677256 MWXQYTPJTDTLPX-UHFFFAOYSA-N 436.871 4.136 5 20 IIBD C[C@H](NC(=O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccc2ccccc2c1 464770704 CTFXENVCIMUVIL-SFHVURJKSA-N 433.508 4.469 5 20 IIBD COc1cc(C(=O)Nc2cc(F)c(Br)cc2Cl)cc([N+](=O)[O-])c1OC 466446483 PZOCOKKFFRJFNY-UHFFFAOYSA-N 433.617 4.419 5 20 IIBD COc1ccc(C)cc1C1(CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CCOCC1 466586336 IMLBABKDLDPNLW-UHFFFAOYSA-N 447.919 4.113 5 20 IIBD CCOc1c(Cl)cc(NC(=O)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1Cl 467473312 BZLPRUGYHKKADR-SNVBAGLBSA-N 426.256 4.116 5 20 IIBD C[C@H](CC(F)(F)F)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 467857241 WHOZXWQQZWSSAV-SECBINFHSA-N 433.433 4.203 5 20 IIBD CC(C)(C)[C@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCO1 468575294 GMCVHAOBMRURFL-GOSISDBHSA-N 443.466 4.104 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccnc(Oc3ccccc3F)c2)cc1OC 470540533 WWGSCBWNMOQTRV-UHFFFAOYSA-N 441.415 4.259 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC(Cc2ccc(F)c(F)c2)CC1 470585771 ZZPJPTVTFBGYCT-UHFFFAOYSA-N 426.423 4.154 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCCO)N1CCC(=Cc2ccc(F)c(F)c2)CC1 470590994 MIKHYQMHBMMCCM-UHFFFAOYSA-N 434.464 4.277 5 20 IIBD Cc1ccc([C@@H](OC[C@@H](O)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)c2ccccc2)cc1 470877526 KZRBXNUQFLHQDP-DHLKQENFSA-N 444.491 4.329 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)cc1 471869875 LGTDZJZEBIMOKA-UHFFFAOYSA-N 445.324 4.272 5 20 IIBD COC(=O)c1n[nH]cc1NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 476821130 KZFOSQGEVMFIEJ-UHFFFAOYSA-N 432.845 4.161 5 20 IIBD Cc1cc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc(N2CCN(C(C)C)CC2)c1 481665499 HYTPVMLUKVXYPV-UHFFFAOYSA-N 435.528 4.096 5 20 IIBD CCc1nnc(-c2ccc(NC(=O)CSCc3ccc(OC)c([N+](=O)[O-])c3)cc2)o1 482477732 KFPYSQOTFVYINP-UHFFFAOYSA-N 428.470 4.088 5 20 IIBD Cc1ccccc1COc1cccc(NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)c1 483809054 PLFZGIPTXHFCPK-UHFFFAOYSA-N 433.464 4.046 5 20 IIBD Cc1c(CNC(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)cccc1[N+](=O)[O-] 483816229 IYGJDHNKGCFIHV-UHFFFAOYSA-N 443.859 4.169 5 20 IIBD COC(=O)[C@@H](C)N(C(=O)c1cc([N+](=O)[O-])ccc1C)c1ccc(Br)cc1C 484835454 ZWAYTHJRNFEUGU-CYBMUJFWSA-N 435.274 4.182 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(OC)c(Br)c2)c([N+](=O)[O-])cc1OC 486172701 RQNHMGWUSQWOCW-UHFFFAOYSA-N 425.235 4.026 5 20 IIBD CSc1cccc(C(=O)NC(C)(C)COc2ccc(C(F)(F)F)cn2)c1[N+](=O)[O-] 486429786 VCMYAMRWPCQDEY-UHFFFAOYSA-N 429.420 4.318 5 20 IIBD COc1cc(CNC2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])cc1OCC(F)F 491063627 ZMWIRDYRPZFKPY-UHFFFAOYSA-N 435.471 4.002 5 20 IIBD Cc1cccc(S(=O)(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)c1Br 497981442 FOEFEEAYOIFUPF-MRXNPFEDSA-N 443.344 4.102 5 20 IIBD COC(=O)[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])Cc1ccc2ccccc2c1 498625027 CLLMVKAGJHHCAC-QGZVFWFLSA-N 426.856 4.163 5 20 IIBD CCOc1cc(NC(=O)NCc2cccc(CN3CCCC3)c2)c([N+](=O)[O-])cc1OCC 500106259 ZKCHFZKSBBVCLB-UHFFFAOYSA-N 442.516 4.310 5 20 IIBD O=[N+]([O-])c1ccc(CCS(=O)(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)cc1 503444734 AWRPCKOXYOGGFB-JOCHJYFZSA-N 449.532 4.370 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc(-n2cccn2)c(F)c1 505279606 FVARFAIAGOWQGB-CQSZACIVSA-N 444.488 4.149 5 20 IIBD O=C(NCc1cc(Br)ccc1F)c1sc(Br)cc1[N+](=O)[O-] 506157948 ZMYQTFWPLMXKKH-UHFFFAOYSA-N 438.072 4.250 5 20 IIBD CCOc1cc(CN(CC)C2CC2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 507220954 CFIMQISLUWIXEX-UHFFFAOYSA-N 428.485 4.423 5 20 IIBD COc1cc(CN2CCO[C@@H](c3ccccc3Cl)C2)c([N+](=O)[O-])cc1OC(F)F 507835010 WKCOYQUWWFGVCI-GOSISDBHSA-N 428.819 4.432 5 20 IIBD CCN(C(=O)c1cc([N+](=O)[O-])cc(I)c1C)c1cccc(F)c1 509081054 JOFWIPRFTJSBBS-UHFFFAOYSA-N 428.201 4.314 5 20 IIBD O=C(c1ccccc1)c1ccc(N2CCC[C@H](CNC(=O)c3ccco3)C2)c([N+](=O)[O-])c1 509459879 RMXQCHKEXXHRHZ-QGZVFWFLSA-N 433.464 4.065 5 20 IIBD CC[C@@H](Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1 511387328 YHPJUTNRIMEOBE-LJQANCHMSA-N 439.493 4.036 5 20 IIBD CCN(C(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-])c1cccc(OC)c1 512237861 XBGBXDRVZWSFOH-UHFFFAOYSA-N 443.481 4.314 5 20 IIBD CC[C@H](NC(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-])c1ccc(Cl)s1 512641560 IFWFIGXZJSNYQR-LBPRGKRZSA-N 427.910 4.320 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 513329939 RXSPUAHMHXWTFF-GOSISDBHSA-N 427.354 4.276 5 20 IIBD Cc1c(C(=O)N(C)[C@H](C)c2ccc(C(F)(F)F)cc2)nnn1-c1cccc([N+](=O)[O-])c1 514768953 VFYOZMITBKEVCW-GFCCVEGCSA-N 433.390 4.336 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)cc([N+](=O)[O-])c1 515691717 WPISKYQCCBDSCL-OAHLLOKOSA-N 439.468 4.038 5 20 IIBD C[C@]1(C2CC2)NC(=O)N(c2cccc(CNc3ccc([N+](=O)[O-])c(OC(F)F)c3)c2)C1=O 517253050 GYTMXTMILYMWKD-OAQYLSRUSA-N 446.410 4.033 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H]2COc3ccccc3C2)cc1[N+](=O)[O-] 517359290 MLRWCKCSKYSENZ-QGZVFWFLSA-N 448.500 4.281 5 20 IIBD O=C(CCNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NC1CCCCC1 517536459 LTCQKJMZZUVPME-UHFFFAOYSA-N 447.539 4.376 5 20 IIBD C[C@@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cc(F)c(Cl)cc1Cl 518658399 SOAMQWLGABUWTQ-MRVPVSSYSA-N 448.665 4.301 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N(Cc2ccco2)c2ccccc2)c1 518698064 VLABMZHPTRWELO-UHFFFAOYSA-N 437.271 4.346 5 20 IIBD COc1cc(OCC(=O)NCc2ccccc2CN(C)C2CCCCC2)ccc1[N+](=O)[O-] 519028347 IHDGQWQOIQWSKL-UHFFFAOYSA-N 441.528 4.063 5 20 IIBD COc1ccc([C@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c2ccc(F)cc2)cc1 519158231 BOWAAOYBFBMMMK-HSZRJFAPSA-N 446.438 4.448 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1)N(CCCn1ccnc1)Cc1c(F)cccc1Cl 520357772 MDMBWFWIMYFACU-UHFFFAOYSA-N 434.830 4.456 5 20 IIBD C[C@H](c1nnc(SCCOc2ccc([N+](=O)[O-])cc2)n1-c1ccc(F)cc1)N(C)C 520687548 SHSIUTVEMBFLJP-CQSZACIVSA-N 431.493 4.108 5 20 IIBD O=C(c1ccccc1)N1CCC[C@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)C1 521281996 CQKYCGLARLDECB-SFHVURJKSA-N 449.429 4.038 5 20 IIBD O=C(Cc1csc(Cc2ccc(F)cc2)n1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 522351872 FIZOGMCRZBYCLO-UHFFFAOYSA-N 437.456 4.353 5 20 IIBD O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 525600258 OTUJGBQUJNDXCL-LEWJYISDSA-N 443.525 4.094 5 20 IIBD COC(=O)CCC1CCN(c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])CC1 531001313 RRHCIPIPEFNRQV-UHFFFAOYSA-N 425.485 4.325 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)Nc1cccc(NC(=O)C2CCCCC2)c1 531419574 BWOJQXJWVIOHKG-UHFFFAOYSA-N 426.473 4.314 5 20 IIBD O=[N+]([O-])c1cnn(CCNCc2cn(Cc3ccccc3Cl)nc2-c2ccccc2)c1 533186922 MGVJSGZCHHRWLE-UHFFFAOYSA-N 436.903 4.146 5 20 IIBD O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCO[C@H](c2cccc(Br)c2)C1 534226111 LCXGSNACGWCCPG-KRWDZBQOSA-N 430.258 4.052 5 20 IIBD Cc1ccc(-c2ncco2)cc1NC(=O)c1cc(I)cc([N+](=O)[O-])c1 534292658 SSHGBUFNMWAMKI-UHFFFAOYSA-N 449.204 4.415 5 20 IIBD O=C1NCCN1[C@@H]1CCCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 536652755 LBWIUMCJZJIBFT-MRXNPFEDSA-N 430.892 4.030 5 20 IIBD O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cccc([N+](=O)[O-])c1N1CCOCC1 537347071 HDNBQQPPMMVBGO-UHFFFAOYSA-N 446.435 4.085 5 20 IIBD CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 538424436 GFMIDRSFWLRZBQ-APPDUMDISA-N 430.354 4.181 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)CCCc2cc(-c3ccccc3)n(C)n2)c1 539524990 BDNQGFWRVNJLDT-UHFFFAOYSA-N 436.512 4.164 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)N(C)C)cc1OC 539659865 GYNIHZALUCZFBA-UHFFFAOYSA-N 431.514 4.450 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)c2ccccc2)CC1 540691429 BDCQZFNEUODDJX-UHFFFAOYSA-N 427.526 4.085 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNc2nnc([C@@H]3CCCO3)o2)cc1 540791376 WCWJQCVPWVIFKL-IBGZPJMESA-N 432.440 4.294 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1cnn(-c2cnc3ccccc3n2)c1 541294951 KEBVFEZXNNTEEY-UHFFFAOYSA-N 440.872 4.108 5 20 IIBD CN(C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ncccc1Br 541316173 BQCDJAOWIVDAGK-UHFFFAOYSA-N 447.211 4.236 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)c1 544637928 DXVRJRHPCIHIKX-UHFFFAOYSA-N 429.454 4.166 5 20 IIBD Cc1nc(NC(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)nn1C 553508217 IXWJSWOOFOPMAL-RVDMUPIBSA-N 434.481 4.211 5 20 IIBD CC(C)Oc1ccc([C@@H](CN[C@H](c2ccc([N+](=O)[O-])cc2)c2nccn2C)N(C)C)cc1 554092996 SPAFOPDRAABKQX-DHIUTWEWSA-N 437.544 4.097 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1ccc(Br)cn1 554688464 TUGWGJYVCXOENX-SFHVURJKSA-N 433.306 4.308 5 20 IIBD Cc1ccc(Cl)cc1N1CC[C@H](CN[C@@H](c2ccc([N+](=O)[O-])cc2)c2nccn2C)C1 556874234 ZXUBKPKFQOPWRX-VGSWGCGISA-N 439.947 4.496 5 20 IIBD COc1ccc(CN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)[C@H](C)C2CC2)c(OC)c1 556974686 ZFIDOUDJMXAIKG-OAHLLOKOSA-N 443.500 4.131 5 20 IIBD CC[C@@H]1CN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C[C@H](C)[S@]1=O 557581190 IVUDLGKGAKQABK-WHOVFKFCSA-N 432.567 4.426 5 20 IIBD CCOC1CC2(CCN(c3ccc(C(=O)c4ccccc4C(=O)OC)cc3[N+](=O)[O-])C2)C1 557721745 GUVZURLIQHBYSO-UHFFFAOYSA-N 438.480 4.008 5 20 IIBD COCc1cc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc(C(=O)OC)c1 557813894 GOSTXAZNHHBXPK-UHFFFAOYSA-N 441.484 4.016 5 20 IIBD CC[C@@H](NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)O 559159131 OZURJFMHJMUKLW-GFCCVEGCSA-N 428.388 4.358 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])c1nnc(-c2cc3ccccc3o2)n1C[C@H]1CCOC1 559172529 OEMUPZGJTVIOKG-MRXNPFEDSA-N 433.468 4.272 5 20 IIBD COc1cc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)cc([N+](=O)[O-])c1OC 564540926 MWTUWMJSLYGVFU-UHFFFAOYSA-N 448.497 4.370 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@@H](n3cc(Cl)cn3)C2)c([N+](=O)[O-])c1 565509677 LGSQCTDHOQLJJL-WIYYLYMNSA-N 439.903 4.380 5 20 IIBD O=C(CCN1CCOc2ccc([N+](=O)[O-])cc2C1)N[C@H](c1ccccc1)c1cccs1 570088007 LMODVCLFYIJDFN-HSZRJFAPSA-N 437.521 4.147 5 20 IIBD CCc1nc2cc(CNC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)ccc2n1C1CC1 573984278 XFQNEOWACWSYFT-UHFFFAOYSA-N 447.539 4.375 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1OCCc1nc(C2(c3ccccc3)CCOCC2)no1 574485588 NWWPTOGUCPZQKJ-UHFFFAOYSA-N 429.860 4.349 5 20 IIBD COC(=O)CCN(Cc1ccc(F)c(F)c1)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 581197668 LQMUMOPIDIGVBD-UHFFFAOYSA-N 431.395 4.093 5 20 IIBD CSc1ccc([C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])N(C)C)cc1 582144390 JYLYJMVNNKKURN-QGZVFWFLSA-N 427.448 4.368 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CNC3(c4cccc(C(F)(F)F)c4)CCOCC3)n2)c1 582280959 KCQBZBFOLHBVML-UHFFFAOYSA-N 448.401 4.459 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cc2c(cc1Cl)OCCO2 585696332 AZTXUYQDEHTBQB-UHFFFAOYSA-N 427.638 4.343 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(c3ccc(F)cc3C)CC2)cc1OC 589994973 UYFYXSBYBAQMFI-UHFFFAOYSA-N 446.475 4.096 5 20 IIBD CCOc1cc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)c([N+](=O)[O-])cc1OCC 603083173 XEWOTQYMHBJGPZ-HNNXBMFYSA-N 447.513 4.087 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 603713709 AUFVHNKDLCWYPC-PJXYFTJBSA-N 442.360 4.215 5 20 IIBD NC(=O)c1ccc(CSCc2nc(-c3cccc(C(F)(F)F)c3)no2)c([N+](=O)[O-])c1 609236314 RPOBZVPGPCNVKC-UHFFFAOYSA-N 438.387 4.196 5 20 IIBD O=C(N[C@H]1CCC[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1I 609511240 LZTSKHBMRSPJML-YOEHRIQHSA-N 436.249 4.266 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCc2cccc(-n3ccnc3)c2)cc1[N+](=O)[O-])c1ccccn1 609656893 JSYQMTZXHLUTDK-KRWDZBQOSA-N 442.479 4.279 5 20 IIBD NC(=O)N[C@@H](CC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cccs1 609762718 PXELSJBPHSTXQB-KRWDZBQOSA-N 426.454 4.187 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSCc1ccn(-c2cccc(F)c2)n1 609769515 IIEYSARGXCJFHT-UHFFFAOYSA-N 428.445 4.151 5 20 IIBD Cc1ccc(OCc2ccc(C(=O)N3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)o2)c(C)c1 609836408 JGYJPNQQTYCAGO-QGZVFWFLSA-N 436.468 4.105 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCCCc3nc4ccccc4n3C)cc2[N+](=O)[O-])C1 609879039 FFJDISGGLPTKIF-QZTJIDSGSA-N 449.555 4.326 5 20 IIBD Cc1ccccc1[C@H]1C[C@@H](C)N(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 610006171 ZWRWGHSWJRSUBN-KGLIPLIRSA-N 439.331 4.232 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCO[C@@H](C(F)(F)F)C1 610067203 CMTSHECHEFVCMC-MRXNPFEDSA-N 430.766 4.444 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cc(Br)c(F)cc1Cl 610577453 UYHQXPXCBLPQIS-UHFFFAOYSA-N 432.633 4.209 5 20 IIBD O=C(OCc1nnc(-c2c(Cl)cccc2Cl)o1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 726638404 LZDTWUIAEPZYDT-UHFFFAOYSA-N 439.167 4.217 5 20 IIBD COc1ccc(CSCC(=O)Nc2cnn(-c3ccccc3Cl)c2)cc1[N+](=O)[O-] 730185495 GESZTTUWWQXWQV-UHFFFAOYSA-N 432.889 4.314 5 20 IIBD O=C(CCc1cc(Br)cs1)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 730646580 IHGPPBGZKXYIIJ-UHFFFAOYSA-N 438.259 4.145 5 20 IIBD C[C@H](OC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])C(=O)Nc1ccccc1-c1ccccc1 731736067 ADWYZCHTGJKTDX-INIZCTEOSA-N 448.431 4.024 5 20 IIBD O=Cc1ccc(OCC(=O)Nc2ccc3nc(-c4ccc(F)cc4)oc3c2)c([N+](=O)[O-])c1 732145927 IYSWUUIMLJHQRS-UHFFFAOYSA-N 435.367 4.372 5 20 IIBD CO[C@@H](CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C(F)(F)F 733323075 DQSKXJSQTGTXAX-JKSUJKDBSA-N 431.798 4.095 5 20 IIBD C[C@H](CC(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccc(C(F)(F)F)cc1 733521649 FOQGWKJVXBHEDB-LLVKDONJSA-N 428.338 4.428 5 20 IIBD O=C(COC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1ccc(F)cc1 736863023 IAEQKTSBLGXIMG-UHFFFAOYSA-N 438.198 4.266 5 20 IIBD CCOc1ccc(CCC(=O)OC2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)cc1 739383721 BOWITDJGBZHTNB-UHFFFAOYSA-N 428.485 4.147 5 20 IIBD O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])cc1Br 740941717 WKUQXGLPPMVKQP-CYBMUJFWSA-N 434.073 4.128 5 20 IIBD COc1c([N+](=O)[O-])cc(NCc2ccccc2-n2cccn2)c([N+](=O)[O-])c1Br 742569197 UROJLQMOXPHJDW-UHFFFAOYSA-N 448.233 4.072 5 20 IIBD C[C@H](CCc1cccc(F)c1)C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 744116882 NGWCWLVLGFRZNT-VQIMIIECSA-N 428.460 4.151 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N1CCC2(CCOCC2)C1 744428345 IQQSVRKYWVFLNZ-HXUWFJFHSA-N 429.904 4.431 5 20 IIBD CCC(CC)(CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)NC(=O)OC(C)(C)C 744682396 RYHIEKCKTKHYNV-UHFFFAOYSA-N 448.564 4.011 5 20 IIBD C[C@H](OC(=O)C1(c2cccc(F)c2)CCOCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 744856042 PVBNHNLVPURMAX-AWEZNQCLSA-N 441.415 4.137 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Oc1ccc(-c2cnc3ccccc3n2)cc1 747286732 APZFIQBIERZRKF-UHFFFAOYSA-N 425.397 4.112 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cn2c(-c3ccccc3)csc2=S)CC1 747453207 XMZOISFADJIRBE-UHFFFAOYSA-N 446.579 4.331 5 20 IIBD NC(=O)c1c(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)sc2c1CCCC2 747623680 RBRDYSSBMPLYAW-UHFFFAOYSA-N 428.495 4.010 5 20 IIBD Cc1c(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748608463 KNQOZEWDTJNROV-IBGZPJMESA-N 429.429 4.018 5 20 IIBD C[C@H](OC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)c1ccccc1[N+](=O)[O-] 749052323 BOFQLWGKVGRXOD-STQMWFEESA-N 433.258 4.015 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 750846000 AWANVMLYSDAAPH-MRXNPFEDSA-N 438.259 4.153 5 20 IIBD C[C@@H](C(=O)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 753214140 YWYSWYOXEPOIDM-CYBMUJFWSA-N 436.917 4.198 5 20 IIBD O=C(Nc1nc(CN2CCCCC2)cs1)c1cc(F)cc([N+](=O)[O-])c1Br 754627663 DOKXRYKOQFYCPQ-UHFFFAOYSA-N 443.298 4.191 5 20 IIBD CCc1nc(COC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)n[nH]1 754765699 DOMWIRDIVFTORB-UHFFFAOYSA-N 432.820 4.087 5 20 IIBD COC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)OC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F 755055534 OVOSZGMXKICJNY-DIFFPNOSSA-N 443.349 4.184 5 20 IIBD CCc1ccc(-c2noc([C@@H](C)NCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 755169409 ROLLQTPNEYQNHE-GFCCVEGCSA-N 429.864 4.150 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnc(Cl)c(Br)c1C 758947230 MXXMZAOQKMIPLF-UHFFFAOYSA-N 434.699 4.077 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 759213696 HJZZYTRCBPLPFW-KRWDZBQOSA-N 447.532 4.144 5 20 IIBD CCC(=CC(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O)CC 759285068 ZZIYBGMWOXLANN-YBEGLDIGSA-N 437.905 4.147 5 20 IIBD Cc1cc(Br)cc([N+](=O)[O-])c1OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 759715171 VHUZULQXRFLSAT-UHFFFAOYSA-N 435.190 4.203 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc(N3CCOC3=O)cc2)no1 761739573 OGXNLUPKJLQDFD-NSHDSACASA-N 430.804 4.395 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1noc(-c2csc(COc3ccc(F)cc3)n2)n1 761967803 FHSQCFOLKUQMPT-UHFFFAOYSA-N 441.444 4.474 5 20 IIBD Cn1ccc([C@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c2ccc(Cl)cc2)n1 762576086 LJKPUPADWPSDTN-GOSISDBHSA-N 434.283 4.224 5 20 IIBD CC[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC[C@H]1NC(=O)OC(C)(C)C 762625603 JQJAOVZCMSIQKG-RDTXWAMCSA-N 437.512 4.163 5 20 IIBD COc1cc(COC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccn1 762780695 HZUXDOUAZXNGCI-UHFFFAOYSA-N 441.827 4.261 5 20 IIBD CC(C)[C@H](OC(=O)c1cc([N+](=O)[O-])c2nsnc2c1)C(=O)Nc1ccccc1Cl 762967484 JWWLKJVHNSHMJR-INIZCTEOSA-N 434.861 4.073 5 20 IIBD Cc1noc(CCCOC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)n1 763863103 HRONQADSJHWJAI-UHFFFAOYSA-N 430.848 4.341 5 20 IIBD CC(C)Oc1ccc(S(=O)(=O)NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c2ccccc12 763970611 JXKJWTUAYJLBAQ-OAHLLOKOSA-N 442.493 4.144 5 20 IIBD O=Cc1ccc(OCc2occc2C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 765834684 ANCMSUUNVICTGI-JOCHJYFZSA-N 438.461 4.467 5 20 IIBD O=C(OCc1cccc(OCC(F)(F)F)c1)c1cc(Br)ncc1[N+](=O)[O-] 769836720 LHHWLNDMXCWCRU-UHFFFAOYSA-N 435.152 4.050 5 20 IIBD O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)Nc1ccc(Br)c([N+](=O)[O-])c1 770324087 IWBSDVQEJQDEFB-UHFFFAOYSA-N 444.072 4.493 5 20 IIBD C[C@H](OC(=O)c1cc(-c2ccc3c(c2)CCO3)no1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 771440119 USAKZSMKIFKKEY-LBPRGKRZSA-N 448.391 4.153 5 20 IIBD CN1C(=O)CC[C@H](C(=O)Oc2cc(F)cc([N+](=O)[O-])c2)[C@@H]1c1ccc(C(F)(F)F)cc1 771485616 AUQWLWLQANMQRB-WMZOPIPTSA-N 440.349 4.268 5 20 IIBD O=C(NC1(c2cccc(OC(F)(F)F)c2)CCOCC1)c1cc(F)ccc1[N+](=O)[O-] 772782247 BWBFPUNCGCAFOV-UHFFFAOYSA-N 428.338 4.068 5 20 IIBD COCCc1nc(C)c([C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)s1 773908832 BSYNMBXVRNPEIC-HNNXBMFYSA-N 433.530 4.457 5 20 IIBD C[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1CNC(=O)OC(C)(C)C 774695233 OAABLFYBNHHPNG-WBMJQRKESA-N 426.901 4.405 5 20 IIBD Cc1ccc(Cn2c(SC[C@@H](O)c3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)cc1 776270169 AAEVCMZCDYGJSA-JOCHJYFZSA-N 447.516 4.487 5 20 IIBD CC1=C(C(=O)Nc2cc(Cl)ccc2C)[C@@H](c2ccc([N+](=O)[O-])cc2F)NC(=S)N1 777942920 ASWFDORWSMRWGH-QGZVFWFLSA-N 434.880 4.127 5 20 IIBD CCCOc1cc(NC(=O)N(C)Cc2ncc(Cl)n2C)c([N+](=O)[O-])cc1OCCC 779009577 JBGZCRKLQIZDQZ-UHFFFAOYSA-N 439.900 4.223 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1)c1cc([N+](=O)[O-])c2nsnc2c1 779336324 ZIMVYCADORNSFP-ZDUSSCGKSA-N 448.888 4.453 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CC[C@@H](COc3ccccc3)C2)c1=S 779883758 FRJJXZZEHWMHIA-QGZVFWFLSA-N 439.541 4.368 5 20 IIBD Cc1cc(C(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)c(C)n1Cc1ccco1 781422066 MIPRUZRWAZHRKC-INIZCTEOSA-N 439.468 4.149 5 20 IIBD O=C(Nc1ccc(-c2ccco2)cc1F)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 786062873 FCONLZOXVVCNPA-CYBMUJFWSA-N 427.363 4.125 5 20 IIBD Cc1ccc([C@H](N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c2cccc(S(C)(=O)=O)c2)cc1 788608507 GQCNRAJIKUHJNU-HJPURHCSSA-N 439.537 4.329 5 20 IIBD Cc1cc(C)c(N2CC[C@@H](OC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)C2=O)c(C)c1 789082595 JOKLPLLTOOGCFA-QGZVFWFLSA-N 434.395 4.084 5 20 IIBD Cc1cnc(COC(=O)[C@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)c(C)c1[N+](=O)[O-] 789433719 VWAOZVHQCUPTSP-HSZRJFAPSA-N 449.507 4.187 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(-c2ncc3n2CCCC3)cc1 790421603 FVFORGGGUFJQFO-UHFFFAOYSA-N 431.445 4.010 5 20 IIBD CCC[C@H](NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)c1ccccn1 790709261 NLQGNMREXJIDEK-KRWDZBQOSA-N 433.306 4.361 5 20 IIBD O=C(NC[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1)OCc1ccccc1 794752741 VXWQHKUGFDXFLY-INIZCTEOSA-N 446.891 4.419 5 20 IIBD C[C@]1(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCN(Cc2ccccc2)C1 799013944 ZWIPJXDSWZHRDO-HHHXNRCGSA-N 425.532 4.323 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@H]1c1ccccc1 800658730 YUWGFLZKUHKRSR-FUHWJXTLSA-N 445.903 4.381 5 20 IIBD C[C@@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(S[C@H]2CCCCNC2=O)cc1 809047650 XNLAAIYEIXMTKH-QRWLVFNGSA-N 428.510 4.203 5 20 IIBD COc1c(C(=O)O[C@@H](C)c2ccc(S[C@H]3CCCCNC3=O)cc2)cccc1[N+](=O)[O-] 809049662 ZSYLGMHNSJNZNU-LIRRHRJNSA-N 444.509 4.282 5 20 IIBD CN(C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CCN(C(=O)c2ccccc2)CC1 812967980 YBFNRNIPRINCEO-UHFFFAOYSA-N 436.295 4.278 5 20 IIBD CC(C)(C)OC(=O)N1CCC(Cc2noc(C(C)(C)c3ccccc3[N+](=O)[O-])n2)CC1 813888057 RNRVQFLPYUHXGJ-UHFFFAOYSA-N 430.505 4.493 5 20 IIBD CCn1ncc2c(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)cc(-c3ccccc3)nc21 827333180 ZZMUMXISWCDCDA-UHFFFAOYSA-N 430.420 4.066 5 20 IIBD O=C(Oc1ccc(Cl)cc1Br)c1cc([N+](=O)[O-])ccc1N1CCOCC1 898744604 XJLVZLFLTCICNQ-UHFFFAOYSA-N 441.665 4.067 5 20 IIBD CCCCN1C(=O)CC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H]1c1ccc(OC)cc1 916757049 ODNRSRJMVUQNBT-PGRDOPGGSA-N 443.475 4.461 5 20 IIBD Cc1ccc(NC(=O)c2ccccc2)cc1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 918399408 HNTZHPIXWJSKSR-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD O=C(COC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccc(F)cc1)C1CCCC1 918862132 YKGFOSJODUVRTJ-SHRUJXPDSA-N 426.444 4.338 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)c1ccc2c(c1)OCCO2 919191047 BMSWGLPCFDRCAO-UHFFFAOYSA-N 435.388 4.198 5 20 IIBD Cc1ccc(-n2c(N3CCCC3)nn(CN3CCc4ccc([N+](=O)[O-])cc43)c2=S)cc1 919948743 ZGQKZVJVRFWQDZ-UHFFFAOYSA-N 436.541 4.240 5 20 IIBD CCOC(=O)/C(=C\c1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1)c1nccn1C 920070605 XAWAIFVHVPRSNH-UYRXBGFRSA-N 437.452 4.020 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1cccc(N2CCOC2=O)c1 920949177 JZSPAEWZDGQBHY-INIZCTEOSA-N 438.484 4.033 5 20 IIBD C[C@H](OC(=O)C(C)(C)Oc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1116164423 PXROQYOUBDTVKM-LBPRGKRZSA-N 440.374 4.341 5 20 IIBD O=[N+]([O-])c1ccccc1Cc1noc(-c2nn(-c3ccccc3F)cc2Br)n1 1254815333 QKACMCAQSOUQIK-UHFFFAOYSA-N 444.220 4.323 5 20 IIBD C[C@@H](C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)c1ccc(F)c(F)c1 1261094751 RUCCMKNPGKPUCC-SNVBAGLBSA-N 425.229 4.324 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(-c2nnc([C@@H](C)Oc3cccc(Cl)c3)o2)cc1OC 1326377219 UEQRHOFZFOTGFC-GFCCVEGCSA-N 449.847 4.472 5 20 IIBD CN(C(=O)OC(C)(C)C)C1(C)CCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 1337204498 GOSCJCXPPIBMOQ-UHFFFAOYSA-N 437.928 4.277 5 20 IIBD COc1ccc(NC(=O)N(Cc2ccc(OC(F)F)c(OC)c2)C2CC2)c([N+](=O)[O-])c1 1345096657 QWPAMCMIXCXIDN-UHFFFAOYSA-N 437.399 4.410 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)C3Cc4ccccc4C3)CCC2)cc1)c1ccc([N+](=O)[O-])o1 1785752290 DKFGBRLXMUIBJB-UHFFFAOYSA-N 445.475 4.351 5 20 IIBD Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4oncc4C)cc3)CCC2)cc1[N+](=O)[O-] 1789979111 XKAKMNGDEXICDS-UHFFFAOYSA-N 448.479 4.190 5 20 IIBD COc1cc(C)ccc1C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1 1790188318 DSYJNBOOEUKKKW-UHFFFAOYSA-N 448.479 4.301 5 20 IIBD Cc1occc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)cc([N+](=O)[O-])c1C 1800709805 DAJLDQCEDUODJE-MUJYYYPQSA-N 431.876 4.024 5 20 IIBD CCC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3ccc([N+](=O)[O-])o3)[nH]n2)CCC1 1818946522 PBFDGLXHULTIDP-LKUPDRCFSA-N 441.488 4.197 5 20 IIBD CC1(C)CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3F)n[nH]2)C1 1821051389 YKFUEQULHLWRPZ-GOSISDBHSA-N 443.479 4.199 5 20 IIBD O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823618077 PHNOHOVDCFHYHI-MDNKFWRPSA-N 443.544 4.247 5 20 IIBD CC(C)=CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1 1830490574 HJRHUFBFEPOART-FQEVSTJZSA-N 443.544 4.280 5 20 IIBD CC(C)[C@H]1CC[C@H](C(=O)N2CCCC23CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C3)CC1 1846080505 NUOJKZKXESAIEF-UYDWFISKSA-N 439.556 4.274 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)cc1 16089695 JWMGATWTUIHATQ-UHFFFAOYSA-N 427.059 4.432 5 20 IIBD CCOc1ccc(CCC2CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)CC2)cc1 22131103 GFMYBRXHLNSXSW-UHFFFAOYSA-N 440.496 4.250 5 20 IIBD C[C@@H]1CCN(C(=O)COC(=O)CSc2ccccc2[N+](=O)[O-])c2ccccc2S1 25054141 NELULULSBYVEFI-CQSZACIVSA-N 432.523 4.148 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c(OC)c1 26342582 RRFIEXOVCASTPZ-ZDUSSCGKSA-N 430.457 4.094 5 20 IIBD Cc1cc(=O)c(C(=O)Nc2cccc(OC3CCCC3)c2)nn1-c1ccccc1[N+](=O)[O-] 29070699 IXURUWOSGJJZCW-UHFFFAOYSA-N 434.452 4.023 5 20 IIBD COc1cc(CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])ccc1OCc1cccnc1 31711037 HXIXUXUAWPSFEU-UHFFFAOYSA-N 439.493 4.229 5 20 IIBD CCNC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)cc1 60667380 XAVOXILHEYLBJP-UHFFFAOYSA-N 449.463 4.075 5 20 IIBD Cc1ccccc1CN1CCC(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 65109946 NDDVVOJDXHWEHF-UHFFFAOYSA-N 436.537 4.421 5 20 IIBD COc1ccc2cc(COC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)ccc2c1 71845966 ZYTGAJUTELTBKT-UHFFFAOYSA-N 436.420 4.188 5 20 IIBD CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cc(SC)ccc1[N+](=O)[O-] 105260074 BXXGTMZKBLAOQF-UHFFFAOYSA-N 441.431 4.225 5 20 IIBD COC(=O)c1ccc(OCc2csc(-c3ccc(OC)cc3OC)n2)c([N+](=O)[O-])c1 105386983 APPCEKKCWNOVTA-UHFFFAOYSA-N 430.438 4.101 5 20 IIBD CCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1cccc(N2CCCC2)c1 110210874 CYMNFWIYULZGGO-FQEVSTJZSA-N 444.919 4.386 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NCC2(c3ccc(Cl)cc3)CCOCC2)c1[N+](=O)[O-] 301111086 SMRIHHOHEWPGHT-UHFFFAOYSA-N 435.864 4.117 5 20 IIBD CS(=O)(=O)c1cccc(N2CCC(Sc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] 301862340 DZEASLHUBPKDCZ-UHFFFAOYSA-N 426.947 4.413 5 20 IIBD COc1ccc(Br)c(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 426043713 IVCVIIOQFIGFRX-UHFFFAOYSA-N 434.290 4.240 5 20 IIBD O=C(O)[C@H](Cc1ccccc1[N+](=O)[O-])NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 426811565 NHOJSJJDJVEDLV-AWEZNQCLSA-N 436.308 4.418 5 20 IIBD CC(C)(C(=O)Nc1ccc(F)cc1I)c1ccc([N+](=O)[O-])cc1 426875750 PNLOOJHEZHCLRC-UHFFFAOYSA-N 428.201 4.255 5 20 IIBD COC(=O)[C@@H](CC1CCCCC1)NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 427969832 ZVEQRTZBNDZLHV-LJQANCHMSA-N 442.462 4.201 5 20 IIBD CCCOc1ccc(NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc1 430357166 VQRPJDXMQHJETL-UHFFFAOYSA-N 436.262 4.032 5 20 IIBD CN(CCC(F)(F)F)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435481223 CXNPSRYYYMPAGF-UHFFFAOYSA-N 433.433 4.157 5 20 IIBD O=C(Nc1ccccc1Cc1ccccc1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 435670193 RUSMSSOGMWEFHB-UHFFFAOYSA-N 429.432 4.091 5 20 IIBD COc1ccc([C@@H](CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)N2CCCC2)cc1 437670578 GKMOYCBUTDIMPS-HSZRJFAPSA-N 438.528 4.115 5 20 IIBD Cc1cc(-c2ncccc2NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)cs1 437682828 ZOUPNXZXXJDPMN-UHFFFAOYSA-N 426.479 4.376 5 20 IIBD O=[N+]([O-])c1ccccc1CN(Cc1noc(Cc2ccc(Br)cc2)n1)C1CC1 441254068 MCGYQSVKJWBANN-UHFFFAOYSA-N 443.301 4.496 5 20 IIBD COc1cc(CN[C@]2(CO)CCCc3ccccc32)ccc1OCc1ccc([N+](=O)[O-])cc1 441381392 LZXRMFUFGFLENY-SANMLTNESA-N 448.519 4.496 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CC[C@H](n2ncc3ccccc32)C1 444312190 SUXASDSRAWITCB-INIZCTEOSA-N 444.441 4.396 5 20 IIBD Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1Cc1nc(-c2c([N+](=O)[O-])ncn2C)no1 445570438 FYZHXCSIKBBTDF-UHFFFAOYSA-N 448.270 4.078 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cnc4c(cnn4Cc4ccccc4)c3)n2)c1 445574214 JXYNAXSNXBVNOK-UHFFFAOYSA-N 442.435 4.037 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1(c2noc([C@H]3CCOC3)n2)CCCCCC1 446480008 NGLKIHDLDRUREC-HNNXBMFYSA-N 429.477 4.161 5 20 IIBD Cc1c(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)nnn1-c1ccccc1Cl 460347259 JBSBYOPWSUMTDE-IBGZPJMESA-N 429.889 4.025 5 20 IIBD CCOCCCn1c(-c2ccc(C)c(F)c2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 460688139 XGNJEQYTXBHYPA-UHFFFAOYSA-N 439.491 4.290 5 20 IIBD COc1cccc([C@@H]2CCCN2c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@H]2CCCO2)c1 461134893 WOMZEXFGSXHGRJ-YADHBBJMSA-N 449.511 4.382 5 20 IIBD C[C@@H](c1ccc(F)c(F)c1)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 461583458 VVAPHUAARVFCMA-GJZGRUSLSA-N 443.454 4.365 5 20 IIBD Cc1nc(CN(C)[C@@H]2CCCN(c3cc(C)c([N+](=O)[O-])cc3C(F)(F)F)CC2)no1 461955827 ISNRBFNWCVRWED-CQSZACIVSA-N 427.427 4.104 5 20 IIBD CCCc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)cnn1-c1ccccc1 463783605 QMDPFHXFZDDVHT-UHFFFAOYSA-N 437.481 4.082 5 20 IIBD O=C(NCCNC(=O)c1ccco1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 464521271 JNSIJZMUZZKMQE-UHFFFAOYSA-N 445.884 4.152 5 20 IIBD CCc1ccc([C@H](NCc2cccc(S(=O)(=O)CC)c2)c2ccc([N+](=O)[O-])cc2)o1 467409838 AXKJVNRYEJJDDW-JOCHJYFZSA-N 428.510 4.423 5 20 IIBD Cc1ccc(-n2cc(C(=O)N3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)c(C(C)(C)C)n2)cc1 467520661 GBWMGDOLWAKXRA-KRWDZBQOSA-N 448.527 4.108 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCO[C@H](c2cccc(Cl)c2)C1 469133679 XJMTWNHVFVGJFU-INIZCTEOSA-N 425.666 4.224 5 20 IIBD CCNC(=O)Nc1cccc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1C 469220139 XEBHZQZOBIAJMN-UHFFFAOYSA-N 435.278 4.368 5 20 IIBD Cc1c(I)cccc1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 473457506 CBSPQNHVGLHGFV-UHFFFAOYSA-N 448.220 4.150 5 20 IIBD CCOc1cc(NC(=O)N2CC[C@]3(C2)OCc2ccccc23)c([N+](=O)[O-])cc1OCC 473486063 BQMMZAPIVGLSPF-JOCHJYFZSA-N 427.457 4.056 5 20 IIBD CCOC(=O)[C@@H](NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@H]1CCCOC1 475138381 MITQTDKFEPHDMW-KKSFZXQISA-N 448.903 4.488 5 20 IIBD O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 475431749 AVFDOGJENHQTCF-UHFFFAOYSA-N 444.831 4.031 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 477831406 XGEHSWQXDUENAR-UHFFFAOYSA-N 441.246 4.031 5 20 IIBD C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C[C@]2(CCOC2)O1 478428031 NKUFMBQWTMQNEF-SZNDQCEHSA-N 448.928 4.419 5 20 IIBD O=C1N[C@H](c2ccc(Cl)c(F)c2)C(=O)N1Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 479180062 KQHSSUDZZMNLNU-CQSZACIVSA-N 431.729 4.199 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)c1C 480836485 HSCANZRRKQNAFD-LJQANCHMSA-N 431.901 4.328 5 20 IIBD Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)c2cc([N+](=O)[O-])nn2C)cc1C 481343346 VYGNDYHRQRBWDD-UHFFFAOYSA-N 444.495 4.070 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1SC 482505916 OUWISSJOCGPSEN-LBPRGKRZSA-N 444.488 4.450 5 20 IIBD Cc1c([C@@H](C)NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)cccc1[N+](=O)[O-] 483637160 NVELJNDWEKAKGR-MRXNPFEDSA-N 437.587 4.033 5 20 IIBD CCOCc1nc([C@H](C)NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)no1 484890767 VCVKCKHYQVMMIR-LBPRGKRZSA-N 446.847 4.451 5 20 IIBD COc1ccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)C2=O)cc1 485393672 CCPOZKOULHNCRE-IBGZPJMESA-N 436.443 4.018 5 20 IIBD O=C(Nc1ccn(Cc2ccncc2)n1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 486214379 JMHWZEDLYNWUJH-UHFFFAOYSA-N 428.452 4.099 5 20 IIBD COC(=O)c1cc(NC(=O)Nc2ccc(Br)c(OC)c2)c(C)c([N+](=O)[O-])c1 486864247 COTOKULKFLCUMU-UHFFFAOYSA-N 438.234 4.105 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 487360061 UQXZOFHUNUMGDN-LLVKDONJSA-N 446.813 4.095 5 20 IIBD O=C(N[C@H]1CCN(c2ccccc2F)C1=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 487572381 HDUBCXGZYYQAAZ-IBGZPJMESA-N 434.427 4.013 5 20 IIBD CCN1CCN(c2ccc(NC(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)c(C)c2)CC1 487754793 WNWPIKGXCJFOFL-SFHVURJKSA-N 425.533 4.236 5 20 IIBD CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)c(C)c1 488359474 LQZDWTUMDXGMLZ-OAHLLOKOSA-N 445.541 4.422 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(-c2cccc(Cl)c2)n1C 488897100 KNZCYDXQDUALES-NSHDSACASA-N 447.904 4.172 5 20 IIBD CCn1c(SCC(=O)NC2(c3ccccc3)CCC2)nnc1-c1ccc([N+](=O)[O-])cc1 489411639 VYRXBRORZBIHAH-UHFFFAOYSA-N 437.525 4.161 5 20 IIBD CCn1c(SCC(=O)c2ccc(OC(F)F)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 489457320 QHYPIXHTUPNLKQ-UHFFFAOYSA-N 434.424 4.450 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCC(Cc2ccccc2CO)CC1 490383715 XZYOFODHPKARHR-UHFFFAOYSA-N 444.506 4.408 5 20 IIBD COc1cc(C(=O)N(C)Cc2ccc(OC(F)F)cc2)c([N+](=O)[O-])cc1OC(F)F 492457830 PYWXFOQXFDEALK-UHFFFAOYSA-N 432.326 4.078 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 495456517 DGQOOOXYLLXQRQ-AWEZNQCLSA-N 435.415 4.081 5 20 IIBD O=C(c1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 497758240 VZISYZQEHYYNSN-UHFFFAOYSA-N 443.308 4.185 5 20 IIBD CCc1noc(C)c1CNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 500983611 RANAUMZBACXJAQ-UHFFFAOYSA-N 445.479 4.165 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CC=C(c2cccc3ccccc23)C1 501591273 UAGMOTGZENCQGV-UHFFFAOYSA-N 443.459 4.362 5 20 IIBD CC[C@H](C(=O)N1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1)c1ccccc1 502028010 CLLGJJCYFXEAPG-SFHVURJKSA-N 429.904 4.163 5 20 IIBD CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 506791670 YIPDMHKNEPWPID-UHFFFAOYSA-N 448.310 4.373 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3C[C@@H](C)Oc4ncccc43)cc2[N+](=O)[O-])n1 508258201 DJEJIOXXKNUBGM-GFCCVEGCSA-N 428.495 4.334 5 20 IIBD O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CC[C@H](OCc2ccncc2)C1 509072257 UJRBXOBJGLJLMH-NRFANRHFSA-N 433.464 4.000 5 20 IIBD O=C(NCc1ccccc1)c1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 509099524 YHCJAEGTGFBXEI-UHFFFAOYSA-N 430.464 4.351 5 20 IIBD COc1ccccc1[C@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)N1CCCC1 509365605 KMQITLMFAJUCQF-QFIPXVFZSA-N 440.544 4.361 5 20 IIBD Cc1ccc(-c2noc([C@H](C)NC(=O)N(C)CCc3cccc([N+](=O)[O-])c3)n2)cc1F 511558239 YICXBCQPROKRRZ-AWEZNQCLSA-N 427.436 4.037 5 20 IIBD CCc1cc(=O)c2cc(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])ccc2[nH]1 512560773 SGZPQRHPLZTUGS-UHFFFAOYSA-N 435.358 4.192 5 20 IIBD O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCc1ccc(Oc2cccc3ccccc23)cc1 514126059 CMWZMBJAZLYUFT-UHFFFAOYSA-N 429.432 4.018 5 20 IIBD Cc1sc2ncnc(N3CCC(C(=O)N(C)Cc4ccccc4[N+](=O)[O-])CC3)c2c1C 514520324 LCGIZKDMLBCJLQ-UHFFFAOYSA-N 439.541 4.091 5 20 IIBD Cc1c(C(=O)N(C)[C@@H](C)c2ccc(C(F)(F)F)cc2)nnn1-c1cccc([N+](=O)[O-])c1 514768954 VFYOZMITBKEVCW-LBPRGKRZSA-N 433.390 4.336 5 20 IIBD CCOc1cc(NC(=O)[C@H](C)Sc2ccc(NC(C)=O)cc2)c([N+](=O)[O-])cc1OCC 515603288 PRTYIDBLTUSNSU-ZDUSSCGKSA-N 447.513 4.470 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N(C)Cc2cscn2)cc1[N+](=O)[O-] 516778122 WBJINFDDBHCUHB-UHFFFAOYSA-N 427.507 4.276 5 20 IIBD CCOC(=O)c1cc(C(=O)N[C@H](C)c2oc3ccc(OC)cc3c2C)cc([N+](=O)[O-])c1 517360348 ICUYOBJAGPUYDM-CYBMUJFWSA-N 426.425 4.326 5 20 IIBD CCn1c(S[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)nnc1-c1cccc(Cl)c1 517554901 JNISQEDIBWZRJP-KRWDZBQOSA-N 443.916 4.424 5 20 IIBD Cc1nn(Cc2ccc(-c3nc(-c4ccnc(N5CCCC5)c4)no3)cc2)c(C)c1[N+](=O)[O-] 518019028 CJMOIWNBTXRTCU-UHFFFAOYSA-N 445.483 4.169 5 20 IIBD C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 518024521 CKIUQPFKUKVPKZ-OTWHNJEPSA-N 439.560 4.261 5 20 IIBD COc1ccccc1OCc1ccc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)o1 522359691 DMMMPISATVOQQU-UHFFFAOYSA-N 434.408 4.418 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC1CCN(Cc2ccc(F)c(F)c2)CC1 524838879 IIFZTRRQJWWDGU-UHFFFAOYSA-N 446.498 4.160 5 20 IIBD Cc1cc(Br)cc([N+](=O)[O-])c1OCCCS(=O)(=O)c1ccc(F)cc1 532357523 SPDVYASEHIRJTK-UHFFFAOYSA-N 432.267 4.048 5 20 IIBD Cc1c(CC(=O)N[C@@H](Cc2ccc(O)cc2)c2nc3ccccc3[nH]2)cccc1[N+](=O)[O-] 532700164 DTTBNTKFZKWQEA-NRFANRHFSA-N 430.464 4.128 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NC(C)(C)CN(C)Cc3ccccc3)cc2)c(C)c1[N+](=O)[O-] 533599584 XPOOZEGGRXUSEB-UHFFFAOYSA-N 449.555 4.097 5 20 IIBD C[C@H](NC(=O)C[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(Cl)cc1 534061050 LOZZEDBOQIHQHW-GNDSEDMPSA-N 447.900 4.029 5 20 IIBD COc1ccc(CNC(=O)c2ccc(Br)cc2C(F)(F)F)cc1[N+](=O)[O-] 537343661 LYIZPUBKTFNBCL-UHFFFAOYSA-N 433.180 4.315 5 20 IIBD Cc1cc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)nn1-c1cccc(Cl)c1 539687546 GXQWAHVKLHDDBC-UHFFFAOYSA-N 436.859 4.395 5 20 IIBD O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 539978662 SKMBPMQDUAQPKE-HXUWFJFHSA-N 444.491 4.022 5 20 IIBD O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 540848622 ZMNANBYHDJEHEF-UHFFFAOYSA-N 446.868 4.180 5 20 IIBD COc1cc(CN[C@@H](C)c2nc(-c3cccc(F)c3)no2)c([N+](=O)[O-])cc1OC(F)F 541682893 BMAGGOXWNGJZQF-JTQLQIEISA-N 438.362 4.245 5 20 IIBD CS(=O)(=O)c1ccc(-c2nc(Cn3ncc4cc([N+](=O)[O-])cc(Cl)c43)cs2)cc1 541780953 VIYWIILDSWJUGJ-UHFFFAOYSA-N 448.913 4.173 5 20 IIBD COCC[C@H](N[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(C)o1 544473406 KNYJLMKFDQXRDX-YOEHRIQHSA-N 444.513 4.314 5 20 IIBD C[C@@H](C(=O)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1)c1cc2ccccc2o1 544685483 ACWQESAEBYJTAX-OAHLLOKOSA-N 433.468 4.060 5 20 IIBD C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](c1ccc(Cl)cc1)c1ccn(C)n1 546575390 PXQWHSZADKFMKD-QKKBWIMNSA-N 427.892 4.078 5 20 IIBD Cc1c(-c2nc(Cc3cc(Br)c4c(c3)OCCO4)no2)cccc1[N+](=O)[O-] 547070003 AEQUNDUHAYGMHH-UHFFFAOYSA-N 432.230 4.078 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1CCN(Cc2ccccc2)C1 550398136 HZPRLYIALGFWOL-WBVHZDCISA-N 446.345 4.306 5 20 IIBD CC(C)(NC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)c1ccccc1[N+](=O)[O-] 554063515 JPDXIAXCOVZJIP-UHFFFAOYSA-N 433.464 4.168 5 20 IIBD O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)Nc1cccc(Oc2ccccc2)c1 554771095 IGCKOEBXNNQKNB-UHFFFAOYSA-N 444.447 4.166 5 20 IIBD O=C(NCCO)c1ccc(NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)cc1 556337111 IWYPVNRFOQCBQO-UHFFFAOYSA-N 441.871 4.375 5 20 IIBD Cn1ccnc1[C@H](N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 560547906 HXNKSNNHIUHNAO-OXQOHEQNSA-N 445.445 4.305 5 20 IIBD O=c1ccc([N+](=O)[O-])cn1Cc1nc(C2(c3cc(Cl)ccc3Cl)CCCC2)no1 564283912 WQCHPMUUAQFEEM-UHFFFAOYSA-N 435.267 4.355 5 20 IIBD Cn1ccnc1[C@H](NCc1nccn1CCCc1ccccc1)c1cccc([N+](=O)[O-])c1 565614947 XTXUHJGPDQNOFJ-HSZRJFAPSA-N 430.512 4.037 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] 567098044 DOZJCWCNKVQNNF-WBVHZDCISA-N 427.476 4.422 5 20 IIBD O=C(NCCc1cnc(SC2CCCC2)nc1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 570595846 WWWFBTASKNGKLO-UHFFFAOYSA-N 440.447 4.411 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 585699679 BLRGZFCXXFAQIA-AOOOYVTPSA-N 449.145 4.479 5 20 IIBD COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 589764560 UKEOJSBABRTKKO-IBGZPJMESA-N 428.510 4.144 5 20 IIBD O=C(NC[C@@H]1CCCN(CC(F)(F)F)C1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 590402099 RITBGAQXZAHWGK-HNNXBMFYSA-N 436.434 4.343 5 20 IIBD O=C(NCc1ccc(F)cc1F)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 603508131 IPPASLHBGKFAGX-UHFFFAOYSA-N 443.372 4.425 5 20 IIBD COc1ccc(CSc2nnc(N3CCCCC3)n2-c2ccccc2)cc1[N+](=O)[O-] 603723145 JFXWDQVGXYZZDG-UHFFFAOYSA-N 425.514 4.467 5 20 IIBD COC(=O)c1ccc(-c2ccc(/C=C3/CCn4c3nc3ccc([N+](=O)[O-])cc3c4=O)o2)cc1 603781434 WOJWRLFWEKZPDP-VBKFSLOCSA-N 443.415 4.296 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(-c2cn3cccnc3n2)cc1 604447430 RLBFTAMPKFKXCR-CYBMUJFWSA-N 437.843 4.364 5 20 IIBD COc1cc(OC)cc([C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2nccn2C)c1 608835628 DVABFSOIWYGEEG-HSZRJFAPSA-N 448.479 4.485 5 20 IIBD Cc1cc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)n(-c2ccc(C(F)(F)F)cn2)n1 608944364 ZEYHHWSWYDPMIP-UHFFFAOYSA-N 437.403 4.234 5 20 IIBD CCc1ccc([C@H](C)C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 609018685 KZSHJOIRKAWOSQ-ZDUSSCGKSA-N 445.522 4.189 5 20 IIBD C[C@@H](NC(C)(C)CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccccc1 609459869 GBYLYWJHVXAXBG-CQSZACIVSA-N 439.434 4.395 5 20 IIBD CC[C@@H](c1ccncc1)N(CC)C(=O)c1ccc([N+](=O)[O-])cc1I 610055928 SBYWOFKOUIQESI-INIZCTEOSA-N 439.253 4.208 5 20 IIBD Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)Nc1ncc([N+](=O)[O-])c(N)n1 610077530 VLGWHPXPLXRUOM-SECBINFHSA-N 435.307 4.335 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 610305475 XNVCMUWITNONEH-UHFFFAOYSA-N 434.496 4.140 5 20 IIBD COC(=O)c1ccc(OCc2csc(N(C(C)=O)c3ccc(F)cc3)n2)cc1[N+](=O)[O-] 613109344 DRTGJWVFKQXBFW-UHFFFAOYSA-N 445.428 4.241 5 20 IIBD COc1ccc(NC(=S)/C(=C(/O)c2ccc([N+](=O)[O-])cc2)[n+]2cccc(O)c2)cc1F 726576124 LOGWZEPGUNEJLN-UHFFFAOYSA-O 442.448 4.059 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1CCC(C2OCCO2)CC1 726789162 WZZQCRABJLOMBZ-FQEVSTJZSA-N 445.903 4.013 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](c3ccccc3)CC2)cc1Br 727462357 SYQJXZLMXDTWPL-HNNXBMFYSA-N 439.331 4.316 5 20 IIBD Cc1sc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c(C(N)=O)c1C 728168176 BHAJKMGCDUDTPG-RYUDHWBXSA-N 430.530 4.107 5 20 IIBD Cc1nc(-c2ccccc2)sc1C(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 729192139 HQKFLTLTCICXMC-UHFFFAOYSA-N 438.509 4.495 5 20 IIBD CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)COc3ccc([N+](=O)[O-])c(F)c3)ccc21 729412161 CJEGBQSHOVESFN-UHFFFAOYSA-N 445.447 4.439 5 20 IIBD C[C@H](OC(=O)Cc1coc(-c2cccs2)n1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 730055971 RECHITATYLNMFU-JTQLQIEISA-N 435.845 4.078 5 20 IIBD O=C(OCc1nnc(-c2cccc(Cl)c2)o1)c1ccc(Br)c([N+](=O)[O-])c1 730294437 TZPBSJYXOUEKEO-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD CC(C)COc1ccc(CC(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 730368214 VBCLSIREYNCYBG-CQSZACIVSA-N 434.876 4.396 5 20 IIBD C[C@H](OC(=O)c1ccccc1CS(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 731166305 OTPKRMMEHJZFHW-INIZCTEOSA-N 425.462 4.487 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])c(F)c1)N[C@H](c1ccccc1)c1cccc(Cl)c1 731516815 JXJKMOHORIPOAI-OAQYLSRUSA-N 442.830 4.450 5 20 IIBD CN(Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)c1)Cc1cscn1 732030878 BTHHXHRRBWODNR-UHFFFAOYSA-N 425.514 4.002 5 20 IIBD CC(C)[C@H](C)N(CC(F)(F)F)C(=O)c1cc([N+](=O)[O-])ccc1I 733934263 JAVSDZBSVQZALH-VIFPVBQESA-N 444.191 4.248 5 20 IIBD Cc1ncc2c(n1)CCC[C@@H]2NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 734799382 PNSGKJFYLFMLIG-XOBRGWDASA-N 432.484 4.069 5 20 IIBD CCc1ccc(OC(=O)c2ccc(S(=O)(=O)Cc3ccccc3)cc2)c([N+](=O)[O-])c1 741445104 JKTQTLVJSOHMOE-UHFFFAOYSA-N 425.462 4.350 5 20 IIBD CCN(CC)C(=O)c1cccc(OC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 741601314 QDMXXWYNLKGRCZ-UHFFFAOYSA-N 425.485 4.286 5 20 IIBD COc1ccc([C@@H]2[C@H](C(=O)Nc3cc([N+](=O)[O-])c(Cl)cc3C)CCC(=O)N2C)cc1 741933871 BIIVJLXWZMGGQO-FOIQADDNSA-N 431.876 4.113 5 20 IIBD Cc1c(C(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 742944082 RVBIBWAYPRGTLC-NSHDSACASA-N 445.819 4.314 5 20 IIBD COC(=O)c1cc(Cl)cc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 743171641 LTCIECCBPDSRER-UHFFFAOYSA-N 433.848 4.110 5 20 IIBD COc1ccc(OCCOC(=O)Cc2sc(C)nc2-c2cccs2)c([N+](=O)[O-])c1 744552284 KYUYWUVDTVEXJC-UHFFFAOYSA-N 434.495 4.262 5 20 IIBD COc1ccc(-c2ncc(C(=O)OCc3nc(-c4cccc([N+](=O)[O-])c4)no3)s2)cc1 745557280 RBTOMOQMLPOKKE-UHFFFAOYSA-N 438.421 4.134 5 20 IIBD CCc1ncc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1 747462181 DZLBCRHNRHEGFO-UHFFFAOYSA-N 425.832 4.105 5 20 IIBD COc1cc(-c2noc(COC(=O)c3cc(SC)c(OC)cc3[N+](=O)[O-])n2)ccc1C 750032369 JOEXHCJQMSFOBM-UHFFFAOYSA-N 445.453 4.049 5 20 IIBD CN(CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)Cc1ccc(F)cc1 750892806 IYXPQDUXAUYLSM-UHFFFAOYSA-N 444.688 4.012 5 20 IIBD COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 751990578 JKJZMAYIYXXWGR-UHFFFAOYSA-N 435.889 4.019 5 20 IIBD CCCC(=O)Nc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1C 753066522 SAZOPUCZOZPNKM-UHFFFAOYSA-N 425.894 4.404 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2C[C@H](CCN3CCCC3=O)c3ccccc32)c1Br 754053074 WULDQBDSYKSYAG-AWEZNQCLSA-N 445.317 4.309 5 20 IIBD CCN(c1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cc1)C(C)C 754987347 XSXGCFOPSCMVAV-UHFFFAOYSA-N 437.855 4.418 5 20 IIBD O=C(NCc1nc(C(F)(F)F)cs1)Nc1ccc(Br)c([N+](=O)[O-])c1 755028032 IZJFZWIZMQVFCJ-UHFFFAOYSA-N 425.186 4.154 5 20 IIBD COc1ccc(COC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c(Br)c1OC 755067198 INSCTUMJLJFJRG-JTQLQIEISA-N 442.237 4.361 5 20 IIBD O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1CN1CCc2sccc2[C@H]1c1cccs1 755257432 YUJLZDHHENNHME-SFHVURJKSA-N 440.506 4.140 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1nc(-c2ccc(F)cc2)ns1 755310140 MQCVXQGQAVLBSY-UHFFFAOYSA-N 437.250 4.196 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 756993931 MDBJKRMSYLEMJR-UHFFFAOYSA-N 444.896 4.152 5 20 IIBD COc1ccc(Br)c(CN(C)C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c1 759366403 NUSCQYNCTFFRJD-UHFFFAOYSA-N 429.217 4.116 5 20 IIBD O=C(Cc1csc(Cc2ccc(F)cc2)n1)O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 759947085 KCLREBVYOBUPET-QZTJIDSGSA-N 444.488 4.247 5 20 IIBD CCOc1cc(NC(=O)NC2CCC(O)(c3ccccc3)CC2)c([N+](=O)[O-])cc1OCC 760918716 NFBLIWBMRRJQBB-UHFFFAOYSA-N 443.500 4.344 5 20 IIBD CCCc1c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cnn1-c1cc(C)ccn1 761033622 HNCJXTPMCUXNCN-UHFFFAOYSA-N 434.500 4.289 5 20 IIBD C[C@@H]1C[C@H](C(=O)O[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)CCC1=O 761462776 HLRZRGPDLSKMQU-RCDCFZSISA-N 444.871 4.477 5 20 IIBD O=C1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c2ccc(Br)cc2N1 761800909 LOMLNJJMJGIKCR-UHFFFAOYSA-N 432.255 4.171 5 20 IIBD O=C1CCCCN1Cc1ccc(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)cc1 762311054 ZOHDUKQPHRWLPX-UHFFFAOYSA-N 431.452 4.229 5 20 IIBD C[C@H](OC(=O)C1Cc2ccccc2C1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 763394220 ZTHJJYRUPONMHS-ZDUSSCGKSA-N 437.477 4.004 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 765173286 GJZMOAYMQAJVQS-AUSIDOKSSA-N 434.496 4.289 5 20 IIBD COc1ccc(CC(=O)N(c2ccc(N(C)C)cc2)[C@H](C)c2ccccn2)cc1[N+](=O)[O-] 766585674 KJOCRDPIAAAMSF-QGZVFWFLSA-N 434.496 4.401 5 20 IIBD C[C@@H](C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Br)cc1 766999879 YSVVBBQUDPIQEV-LLVKDONJSA-N 432.230 4.254 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCc1nc2c(s1)C[C@H](c1ccccc1)CC2 767135810 SCLZXYZEPKHZCN-OAHLLOKOSA-N 441.484 4.158 5 20 IIBD COc1cc(CCc2cc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)n[nH]2)cc(OC)c1 768711599 HISLDTVFDMIPFY-UHFFFAOYSA-N 430.848 4.026 5 20 IIBD Cc1cc2c(N3CCC[C@H]3C(=O)OCc3cc([N+](=O)[O-])ccc3Cl)ncnc2s1 770180648 QMIYCQSBJJIOKS-INIZCTEOSA-N 432.889 4.274 5 20 IIBD O=C(Oc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 771481522 PFVXGPWOKNFZCW-INIZCTEOSA-N 427.215 4.251 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@@H](C)[C@H](O)c2ccc(F)cc2)cc1[N+](=O)[O-])c1ccccn1 771663505 GLRNSQSSVCULLU-DFFLPILJSA-N 438.459 4.154 5 20 IIBD CCCN1C(=O)CCc2cc(NC(=O)c3ccc(Br)c([N+](=O)[O-])c3)ccc21 773397208 NVOHGXWXBYIVLH-UHFFFAOYSA-N 432.274 4.299 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccccc1COC(C)(C)C 773704636 YKLXNGQQHWLWRR-AWEZNQCLSA-N 430.457 4.103 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@@H](C)c3cn(C)c4ccccc34)CC2)ccc1[N+](=O)[O-] 774106820 QZDBWDGBWKYQPH-INIZCTEOSA-N 437.496 4.411 5 20 IIBD Cn1cc([C@H](NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c2ccc(F)cc2)cn1 775693638 ZBFDYTFHYJNZLC-QGZVFWFLSA-N 448.252 4.141 5 20 IIBD CC[C@H](C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc(OC)cc1 775943226 RVWRTTIOYJGZKG-HNNXBMFYSA-N 440.374 4.298 5 20 IIBD O=C(O[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccc(F)cc1[N+](=O)[O-] 776397907 RNLXVONQUDMDJZ-KRWDZBQOSA-N 440.349 4.101 5 20 IIBD Cc1nc2cc(Br)cc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2o1 776427214 ORBOBYQXFZFKDA-UHFFFAOYSA-N 446.666 4.261 5 20 IIBD Cc1cc(C(=O)OC[C@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])nn1C1CCCCC1 776514371 COESLQMKOLTXQP-GOSISDBHSA-N 440.500 4.067 5 20 IIBD Cc1cc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])ccc1N1CCSCC1 778262742 HNTSQIRPBXNCNL-UHFFFAOYSA-N 434.949 4.474 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 779018913 MWTFOQDZZUXOLO-HUUCEWRRSA-N 437.562 4.471 5 20 IIBD C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)[C@@H]1C 781255471 DMGPFHGQQJWUGR-VLXJIEOASA-N 442.462 4.057 5 20 IIBD Cc1ccc(F)c(N2CCC[C@@H](OC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)C2=O)c1 781259537 LFWYQJIZDKCTJI-HSZRJFAPSA-N 444.462 4.481 5 20 IIBD CCC1(C(=O)OCCCOc2ccc([N+](=O)[O-])cc2)CCN(C(=O)c2ccccc2)CC1 781326232 WOTGIXLLBQIAGH-UHFFFAOYSA-N 440.496 4.240 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@H]3CCC(=O)[C@@H](C)C3(C)C)CC2)ccc1[N+](=O)[O-] 781489261 KFFASMPRCAZVHG-CRAIPNDOSA-N 432.517 4.147 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(Cl)n1 782844132 FFARBQKLHJIBIX-UHFFFAOYSA-N 430.269 4.204 5 20 IIBD COc1ccc(CN(C)C(=O)[C@@H](C)OC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)cc1F 784256812 HPIWTYOINNBQDY-CQSZACIVSA-N 432.448 4.070 5 20 IIBD Cc1c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2Cl)cnn1-c1ccc(Cl)cc1 788216611 LGCKMLNVKYNNOT-UHFFFAOYSA-N 427.269 4.197 5 20 IIBD C[C@H](N[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1ccc(N)c([N+](=O)[O-])c1 788615087 UXFABWHUMALZDX-OYHNWAKOSA-N 425.510 4.021 5 20 IIBD CCN([C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 790830536 QSVWCTMDGSUFJY-ZDUSSCGKSA-N 425.438 4.031 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCC1=CCN(C(=O)OC(C)(C)C)CC1 794164687 CPFPZADGQZFZDT-OAHLLOKOSA-N 435.546 4.149 5 20 IIBD COc1cc(COC(=O)CCc2cnc3ccccc3c2)c([N+](=O)[O-])cc1OC(F)F 795799213 AGXHWBWBEVFNTI-UHFFFAOYSA-N 432.379 4.429 5 20 IIBD CO[C@@H]1CCC[C@H](CC(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 796071133 XAUVOKLABHNSJU-MBNYWOFBSA-N 432.395 4.079 5 20 IIBD Cc1cc(OCC(=O)N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)ccc1[N+](=O)[O-] 797760564 PVNPOIVSOYHMGJ-UHFFFAOYSA-N 446.503 4.459 5 20 IIBD Cc1c(NC(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)cccc1[N+](=O)[O-] 800509718 ADHVASGXIQFKBS-PKOBYXMFSA-N 440.500 4.428 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ccc(NCC3CC3)nc2)cc1)c1cccc([N+](=O)[O-])c1 801111583 AVEPLYRUTHGQBO-UHFFFAOYSA-N 432.436 4.283 5 20 IIBD O=C(OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Oc1ccncc1 802077548 ARONUFAZNAUBED-KRWDZBQOSA-N 447.447 4.244 5 20 IIBD COc1c([N+](=O)[O-])cc(NCC2(c3ccccn3)CCC2)c([N+](=O)[O-])c1Br 804823418 VJEDCRPDZHDNBI-UHFFFAOYSA-N 437.250 4.203 5 20 IIBD C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 807453701 DLFWAJCDMMHLMH-LLVKDONJSA-N 443.809 4.295 5 20 IIBD COCCn1c(-c2cn(C)c3ccccc23)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 812110299 PLSRMPRJDPTTEO-UHFFFAOYSA-N 446.511 4.160 5 20 IIBD O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)s2)c1Br 812319537 LKASNEFZQHCKDB-UHFFFAOYSA-N 431.211 4.238 5 20 IIBD COc1ccc(C2=NO[C@H](CNC(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)cc1C 813571196 JZKPLBFKPWRPPI-ZDUSSCGKSA-N 438.267 4.142 5 20 IIBD CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 813788257 BJTHCLIRDVOTTQ-YOEHRIQHSA-N 436.509 4.155 5 20 IIBD Cc1nc(C(=O)O[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)c(C)o1 814507933 QODUFABXIDURPU-GOSISDBHSA-N 429.816 4.390 5 20 IIBD CCOc1ccc(-c2nc(C)c(C(=O)OCC(=O)Nc3ccccc3[N+](=O)[O-])s2)cc1 914909803 NLLAFNSZALCQDS-UHFFFAOYSA-N 441.465 4.221 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cc(Br)cnc1Cl 919928959 XBMZDTMDCHBARM-UHFFFAOYSA-N 448.726 4.005 5 20 IIBD O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)c1n[nH]c2ccc([N+](=O)[O-])cc12 1262657725 CHHLUNPAGSQAIU-UHFFFAOYSA-N 445.810 4.060 5 20 IIBD C[C@H](Oc1ccc2ccccc2c1)c1nnc(-c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)o1 1322406602 LLDRLGUIJZFPEN-ZDUSSCGKSA-N 439.449 4.342 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CCC(c3cccc(F)c3)CC2)cc1[N+](=O)[O-] 1347037025 SJCPMRIEUZLFPS-UHFFFAOYSA-N 441.488 4.033 5 20 IIBD Cc1nc[nH]c1C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])CCC2)cc1 1788776335 PZIYKKZRWBMLJI-KPKJPENVSA-N 445.479 4.087 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@@H]3CCc4ccccc43)CCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 1790188422 OXFBIQJPRBXYFK-HXUWFJFHSA-N 444.491 4.401 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@@H]3C[C@@]3(F)Cl)CCC2)cc1)c1ccc([N+](=O)[O-])cc1F 1790624137 BTLJNGMPGWMZCP-KKSFZXQISA-N 449.841 4.406 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2)CCC1)C1=CCCC1 1790825707 ZNEKWNNYQBKKAR-UHFFFAOYSA-N 445.479 4.329 5 20 IIBD Cc1cc(C)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C3)c1 1799664158 RQXDAFYHQRHMOH-XYWZUZSCSA-N 433.508 4.177 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)s2)[nH]n1)c1ccc([N+](=O)[O-])o1 1814310254 USRZVGGKVTZAIJ-LLVKDONJSA-N 449.876 4.246 5 20 IIBD Cc1cc(CCCC(=O)N2CCCC23CN(C(=O)CCC(C)C)C3)c([N+](=O)[O-])cc1F 1841507404 ZQMOGEBTCWAGFU-UHFFFAOYSA-N 433.524 4.005 5 20 IIBD Cc1scc(C(=O)N2CC3(CCCN3C(=O)c3cc(Cl)cc([N+](=O)[O-])c3C)C2)c1C 1845499041 YISNNNHLAMXMIU-UHFFFAOYSA-N 447.944 4.366 5 20 IIBD CC(C)[C@H](C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1)c1ccccc1 1847057063 DUWWTPLODXYGDA-XXFRDUSWSA-N 447.535 4.251 5 20 IIBD C[C@@H](OC(=O)c1ccccc1CSC1=NCCS1)C(=O)Nc1cccc([N+](=O)[O-])c1 9556142 UZEXTELXAOHZGN-CYBMUJFWSA-N 445.522 4.115 5 20 IIBD COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)COc1cccnc1[N+](=O)[O-] 11645191 AENOAXDIWLCJOJ-UHFFFAOYSA-N 447.856 4.176 5 20 IIBD CCNc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2OCCOC)cc1[N+](=O)[O-] 14596365 JASQDFDEZXSLKQ-UHFFFAOYSA-N 427.379 4.323 5 20 IIBD Cc1nc(-c2ccccc2)c(C(=O)O[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)s1 18765506 YGJHOAWFDSAABY-LLVKDONJSA-N 429.429 4.350 5 20 IIBD COc1ccc(-c2nc(C)c(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3C)s2)cc1 19618753 GZQYCLXCNQKDOV-UHFFFAOYSA-N 441.465 4.139 5 20 IIBD O=C(Nc1ccc(OCc2cccnc2)c(Cl)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 26259837 CLMAJEZQNDZTOT-UHFFFAOYSA-N 427.800 4.203 5 20 IIBD CC(C)(C)c1ccc(C(=O)OCC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1[N+](=O)[O-] 26342505 KBLZNQCSSHTZFH-UHFFFAOYSA-N 435.480 4.115 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc([N+](=O)[O-])c1 28326881 QRQPKIREHKGZSG-UHFFFAOYSA-N 436.449 4.400 5 20 IIBD Cc1ccccc1CN1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 31765530 MTUAHLCQHSNXLC-UHFFFAOYSA-N 439.559 4.198 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NC[C@H]2Cc3ccccc3O2)cc1[N+](=O)[O-] 33117678 WCKUSPBGXPHVEI-QGZVFWFLSA-N 448.500 4.281 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C 33232712 KGNMJDILBPECTB-SCLBCKFNSA-N 430.917 4.368 5 20 IIBD CCN(C(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1)C1CCCC1 58365945 GOLQXWYEEMXNGJ-UHFFFAOYSA-N 431.514 4.109 5 20 IIBD Cc1c(NC(=O)C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)cccc1[N+](=O)[O-] 61792382 VDJGRFKAUVDMSU-IBGZPJMESA-N 442.475 4.271 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(CN3CCC[C@H](C)C3)cc2)cc1SC 97548851 SXTKPNILMNGJEJ-INIZCTEOSA-N 443.569 4.487 5 20 IIBD O=C(Nc1cccc(F)c1)c1cccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c1 109271355 NMSNILFOZSOZIJ-UHFFFAOYSA-N 445.410 4.424 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCc1ncc(-c2ccccc2)o1 301079615 KGNAOIMKBDWCAR-UHFFFAOYSA-N 442.497 4.037 5 20 IIBD O=C(Cc1cccc(F)c1)N1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 301577062 ZBAKFIDFPNMAPL-UHFFFAOYSA-N 425.382 4.034 5 20 IIBD O=C(NC[C@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1)Nc1cccc(F)c1 301949704 FZGZJEIADLQURU-CYBMUJFWSA-N 438.406 4.373 5 20 IIBD O=c1c(Cl)c(NCCc2nc3ccccc3s2)cnn1-c1ccc([N+](=O)[O-])cc1 302420527 IRKFTOKZILXACW-UHFFFAOYSA-N 427.873 4.058 5 20 IIBD Cc1cc(NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)c(Br)cc1[N+](=O)[O-] 302716530 YKCZKVXLZAWYEF-SFHVURJKSA-N 434.290 4.395 5 20 IIBD C[C@H]1Cc2ccccc2N1CCNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 303060066 LNFCZKAONUEFIL-ZWKOTPCHSA-N 445.523 4.344 5 20 IIBD CC(C)(Cc1nc2ccccc2[nH]1)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409583010 CWQUCKJUEVKVBQ-UHFFFAOYSA-N 449.433 4.287 5 20 IIBD C[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cccc([N+](=O)[O-])c1 409756165 UNJJVTHSXOWTCO-CYBMUJFWSA-N 438.406 4.333 5 20 IIBD CC(C)(C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1)c1ccccc1[N+](=O)[O-] 429903440 PJKWTADOVLECJJ-SFHVURJKSA-N 433.302 4.235 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N(Cc1cccs1)C[C@H]1CCCO1 429971737 XVYMVGJREQYBEH-CYBMUJFWSA-N 425.304 4.240 5 20 IIBD Cc1cc([C@@H]2CCCN2S(=O)(=O)Cc2ccccc2[N+](=O)[O-])ccc1Br 430007802 RRLWERVGNKAWRV-KRWDZBQOSA-N 439.331 4.333 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CN1CCC(C(=O)Nc2ccc(Br)cc2)CC1 430210861 VVYXFUTUQFHTEC-UHFFFAOYSA-N 448.317 4.217 5 20 IIBD CN1CCC(N2CCC(CCN(C)C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC2)CC1 431018883 YPDFRXPBMXBSIF-UHFFFAOYSA-N 444.601 4.078 5 20 IIBD C[C@@H](CN(C)C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C(=O)O 431660566 XHBIHDPNERXHBT-HNDQUVLASA-N 439.493 4.314 5 20 IIBD O=C(NCc1cc(F)cc(F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435524307 DQFWOXHZEFMSTI-UHFFFAOYSA-N 449.460 4.341 5 20 IIBD O=C(Nc1ccc(COc2ccccc2)cc1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 436040283 JNPCEZAJXZLXCJ-UHFFFAOYSA-N 445.431 4.080 5 20 IIBD Cc1ccc(NC(=O)NC[C@H]2CCCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])C2)cc1 436391967 ZSHMFCWKAWDZNU-CQSZACIVSA-N 437.422 4.355 5 20 IIBD Cc1c(CC(=O)NCC2(c3ccc(Br)cc3)CCOCC2)cccc1[N+](=O)[O-] 438912941 WXIURDKQBQRZEY-UHFFFAOYSA-N 447.329 4.073 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CC[C@H](OCCN2CCCC2)C1 443869696 QOKDYMOHOPTOPB-IBGZPJMESA-N 441.553 4.073 5 20 IIBD COc1cccc(C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1[N+](=O)[O-] 444168303 HEDQVDXVTJJXIU-UHFFFAOYSA-N 438.311 4.305 5 20 IIBD C[C@@H]1SCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)[C@H]1c1ccccc1 447038786 OWMZACJLRXCUAF-YVEFUNNKSA-N 446.472 4.481 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@H]2CCCO2)c1 460899212 UOXNCBSMKMSUEK-QGZVFWFLSA-N 439.438 4.201 5 20 IIBD O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 461679505 IVFQSCJOXUGSHF-PGRDOPGGSA-N 429.517 4.220 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1CNc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 462242924 HOHRRKZTRSKNBR-CALCHBBNSA-N 427.501 4.244 5 20 IIBD O=C(NCc1ccc(Br)s1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465687399 FCQHRHXRVQAPBP-UHFFFAOYSA-N 440.319 4.172 5 20 IIBD C[C@@H](NC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)c1cnn(C)c1 465966998 JPQKDAVVHAJVSH-GFCCVEGCSA-N 447.854 4.474 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CC=C(c2ccc3c(c2)OCCO3)CC1 467217516 NTBPQEGIDXMOCI-UHFFFAOYSA-N 429.860 4.018 5 20 IIBD CCOc1c(Cl)cc(NC(=O)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl 467595836 MJYGRAJBTZXUHR-LLVKDONJSA-N 440.283 4.425 5 20 IIBD CCNc1cnc(-c2noc(-c3ccc(Sc4nc(C)cs4)c([N+](=O)[O-])c3)n2)cn1 468081340 AZUUVFLYNDUDFL-UHFFFAOYSA-N 441.498 4.450 5 20 IIBD Nc1c(C(=O)NCc2ccc(Oc3ccccc3C(F)(F)F)nc2)cccc1[N+](=O)[O-] 468743019 KHCPTZCXBWZREZ-UHFFFAOYSA-N 432.358 4.313 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCSc3ccc(Cl)cc32)c(Br)c1 469114719 YVVKCPSSHNDVGG-UHFFFAOYSA-N 449.735 4.312 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nc(-c2ccc(C(=O)OC)cc2)cs1 470723858 SDFGNHXDGLUOAY-UHFFFAOYSA-N 427.438 4.156 5 20 IIBD COc1cc([C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C(F)(F)F)cc(OC)c1OC 473773705 CUEHYILHTZBZOA-QGZVFWFLSA-N 443.378 4.354 5 20 IIBD C[C@@H](C(=O)Nc1c(Cl)cc(Cl)cc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 477057560 JFVDPGNGQVBPBF-QMMMGPOBSA-N 437.688 4.356 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2occ(C)c2c1 479044779 OYWMDPFATVOGHK-SFHVURJKSA-N 427.482 4.140 5 20 IIBD CN(C(=O)c1sc(Br)cc1[N+](=O)[O-])[C@H]1CCCN(Cc2ccccc2)C1 486170261 BFIZWKSZUZUZQL-AWEZNQCLSA-N 438.347 4.155 5 20 IIBD O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N(CC(F)(F)F)[C@H]1CCCOC1 486204810 NSPIKPPLSPIPEQ-INIZCTEOSA-N 438.402 4.357 5 20 IIBD CC(=O)c1sc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)nc1-c1ccccc1 486798755 LDXXKFKFAVELIN-UHFFFAOYSA-N 443.506 4.258 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCC(Nc3cccc(C)c3)CC2)c(C)c([N+](=O)[O-])c1 486902976 XBVMSZQNCBXCRU-UHFFFAOYSA-N 426.473 4.107 5 20 IIBD C[C@H]1CN(C2CCN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)CC2)CCO1 487207082 ZBDZOCOWEWIJCZ-KRWDZBQOSA-N 441.553 4.071 5 20 IIBD CC[C@@H](NC(=O)NCc1ccccc1CN1C[C@H](C)O[C@H](C)C1)c1cccc([N+](=O)[O-])c1 489344536 ZCNCAOUUKFSSES-IEGUWTFLSA-N 440.544 4.155 5 20 IIBD NC(=O)c1cccc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)cc2)c1 489346721 WAVKUHAWPGSTHU-UHFFFAOYSA-N 443.362 4.340 5 20 IIBD Cc1ccc(-n2cnc3c2CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C3)cc1 489428566 OSJOVYZOCUCNOT-UHFFFAOYSA-N 441.285 4.050 5 20 IIBD CO[C@@H](C)c1nc(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cs1 490088247 FYIKEXQNYBTDCO-AWEZNQCLSA-N 426.498 4.301 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCc2cc(Br)cc(F)c21 497349253 BOIXAGMPFUYDHC-UHFFFAOYSA-N 431.164 4.301 5 20 IIBD O=C(CCCc1nc(-c2ccc(F)cc2)no1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 498152145 HLCHCBMWEPSRCD-NRFANRHFSA-N 442.472 4.381 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(CN3CCSCC3)cc2C)c([N+](=O)[O-])cc1OC 502709610 AIAOZWDVTWUPFP-UHFFFAOYSA-N 445.541 4.112 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCO[C@@H](c2ccccc2Cl)C1 505129636 JNSBCPVYLODAEH-HSZRJFAPSA-N 432.907 4.408 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1 505197180 MBSHVGDAWBNTHE-CQSZACIVSA-N 431.489 4.092 5 20 IIBD COCCn1c(SCc2c(F)cc([N+](=O)[O-])cc2F)nc2cc(Cl)ccc2c1=O 505455457 LYUUSXLQUIRQDU-UHFFFAOYSA-N 441.843 4.175 5 20 IIBD C[C@@H](CNC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)Oc1ccccc1 505666088 WDKITMBEEUEAJQ-KRWDZBQOSA-N 447.491 4.089 5 20 IIBD O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](C(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 506607896 GPCURYCCLXERTA-OAHLLOKOSA-N 448.306 4.343 5 20 IIBD C[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(F)c(Br)c1 507656199 QRZWEYQWPGQXLA-LLVKDONJSA-N 433.237 4.173 5 20 IIBD CC(=O)c1cccc(NC(=O)COc2c([N+](=O)[O-])cnc3ccc(Br)cc23)c1 508159614 GNFPRWQDSFSNCL-UHFFFAOYSA-N 444.241 4.126 5 20 IIBD COc1ccc(NC(=O)CN[C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 511877761 IBJLMRFNDWIOFC-IRXDYDNUSA-N 437.418 4.487 5 20 IIBD O=C(N[C@@H]1CCN(C(=O)Nc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 512924461 NCTVOHINRFRQAQ-GOSISDBHSA-N 446.463 4.423 5 20 IIBD Cc1c(CS(=O)(=O)CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-] 515261721 ZZPGLSIIAWVIFT-LBPRGKRZSA-N 445.324 4.002 5 20 IIBD O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1C(F)(F)F)c1cc(F)cc([N+](=O)[O-])c1 518792071 WDWMRYCQVBUTOC-MRXNPFEDSA-N 441.337 4.123 5 20 IIBD CCOc1cc(C(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)c([N+](=O)[O-])cc1OC 520731444 LCARGUQJNPXSCR-UHFFFAOYSA-N 442.497 4.432 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ccc(S(C)(=O)=O)cc3)cc2)c1 523253687 VCBHZSHDBDQWPJ-UHFFFAOYSA-N 442.449 4.052 5 20 IIBD Cn1ccnc1C(=O)c1ccc(Nc2cccc(CC(=O)OC(C)(C)C)c2)c([N+](=O)[O-])c1 525707857 KMOXQIDIFHEOBI-UHFFFAOYSA-N 436.468 4.187 5 20 IIBD CN(Cc1ccon1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 532570773 BIHGSNAMONHMHA-GOSISDBHSA-N 445.273 4.157 5 20 IIBD COc1cc(CNc2ccccc2Cn2cncn2)ccc1OCc1ccc([N+](=O)[O-])cc1 533211050 VACPBPUYSJWZRG-UHFFFAOYSA-N 445.479 4.434 5 20 IIBD O=C(NC[C@H]1CCCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Nc1ccccc1 535555704 BWAQIWVPIPUMTK-OAQYLSRUSA-N 435.484 4.426 5 20 IIBD CN1CC[C@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 536487932 JAWZGHHDNUSCND-QVKFZJNVSA-N 446.910 4.384 5 20 IIBD CC(C)N1CCN([C@H]2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2)CC1 537660375 FBMCGPPIOVGRAB-SFHVURJKSA-N 432.952 4.109 5 20 IIBD CC(C)CN(C(=O)[C@H](C)OC[C@@H]1CCCO1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 538253525 IFFYFEGFOJNJFY-HOTGVXAUSA-N 433.530 4.291 5 20 IIBD Cc1cc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)n2)ccc1F 538456127 ILDMJIUCEAPSMF-UHFFFAOYSA-N 442.472 4.255 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1CN1C(=O)CCC1=O 538529598 SGTGBFRVNXMHAE-UHFFFAOYSA-N 441.509 4.388 5 20 IIBD CC(C)(C)OC(=O)C1CCC(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 538794643 LAHCERQEFBQAIT-UHFFFAOYSA-N 426.897 4.034 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN2CC[C@@H](CN3CCOCC3)C2)cc1 539835681 MPLWZFLCAZVRIA-SFHVURJKSA-N 431.920 4.195 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)C(C)C)cc1[N+](=O)[O-] 541142378 MTJGSJYKQGUOHR-QGZVFWFLSA-N 439.390 4.074 5 20 IIBD CN(C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 542559604 FDKNRIDLGRQALW-FPOVZHCZSA-N 438.459 4.127 5 20 IIBD Cc1c(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)nnn1-c1cccc(Cl)c1 543853919 PHCVAYURJDHAIU-UHFFFAOYSA-N 425.754 4.408 5 20 IIBD CC(C)n1nnnc1-c1ccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1F 543966107 FYMPRBFPRWAEGA-UHFFFAOYSA-N 439.451 4.165 5 20 IIBD COCCOc1ccc(-c2noc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2)cc1F 545013987 UDPFBXDYNRNBKI-UHFFFAOYSA-N 427.310 4.495 5 20 IIBD Cc1c(Cc2noc([C@@H]3CCCN(c4ncnc5sccc45)C3)n2)cccc1[N+](=O)[O-] 545785532 YTBJURLKDZMYFD-OAHLLOKOSA-N 436.497 4.266 5 20 IIBD Cn1c(SCCOc2ccccc2C(F)(F)F)nc2cc([N+](=O)[O-])ccc2c1=O 546548398 ABDCXQZDRXZKCH-UHFFFAOYSA-N 425.388 4.032 5 20 IIBD COc1cc(-c2nc(-c3cccc(NC(=O)c4ccco4)c3)no2)cc([N+](=O)[O-])c1OC 547026151 LMAMLHPUIBLPDI-UHFFFAOYSA-N 436.380 4.174 5 20 IIBD CCSc1ccc([C@@H](C)NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 553464705 ISRPDDFCGAKSDW-OAHLLOKOSA-N 427.526 4.075 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)Nc2cccc(C(=O)O)c2)cc1[N+](=O)[O-] 554501841 QOPCIMCBPDVOBC-UHFFFAOYSA-N 436.445 4.498 5 20 IIBD COc1cccc(OC(F)(F)F)c1CNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 557889224 AQNKVXHUJFMTMJ-LBPRGKRZSA-N 427.379 4.371 5 20 IIBD CCCN(CCN1CCCCCC1)C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 558320479 RIHZEUHLXPYYRB-UHFFFAOYSA-N 441.576 4.185 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)c1 558829507 PIKZJFBAVFQTSC-MRXNPFEDSA-N 435.883 4.180 5 20 IIBD CCn1cc([N+](=O)[O-])c(-c2nc(Cc3ccc(OC(C)C)c(Br)c3)no2)n1 569051239 PDWKXIOTLZJCNM-UHFFFAOYSA-N 436.266 4.002 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[C@@H](n4cc(Cl)cn4)C3)cc2[N+](=O)[O-])C1 572535540 FEPSPZIXTSHXQQ-RVKKMQEKSA-N 431.924 4.014 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)cc2)cc1 573049353 IMRBXDSAHHYTLI-MRXNPFEDSA-N 439.493 4.446 5 20 IIBD CO[C@@H](C)c1nc(Cc2noc(Cn3c4ccccc4c(=O)c4ccccc43)n2)cs1 574247526 ZOYNPVKKHDIAMO-AWEZNQCLSA-N 432.505 4.341 5 20 IIBD COc1cc(Cc2noc([C@H]3C[C@@H]3c3cc(F)c(F)c(F)c3)n2)c([N+](=O)[O-])c(OC)c1 582991416 OKHKVTUNWZRKRW-OLZOCXBDSA-N 435.358 4.274 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)c1ccc(Br)cc1F 588109483 OWTCPGZUXRFAOO-JTQLQIEISA-N 426.242 4.065 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)c1ccc(F)c(Br)c1 590193854 VOMJXUMCIICHKK-MNOVXSKESA-N 440.269 4.183 5 20 IIBD CCOC(=O)c1cc(C(=O)NCc2ccc(OC3CCCC3)c(OC)c2)cc([N+](=O)[O-])c1 603761442 KZGKXNWEBGJAKX-UHFFFAOYSA-N 442.468 4.032 5 20 IIBD Cc1cccc(N(C)C(=O)c2ccccc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 608904404 QVNPBKZLXJZDHT-UHFFFAOYSA-N 439.493 4.289 5 20 IIBD O=C(NCc1ccc2c(c1)OCCCO2)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 608952533 AGZBHTRXWMKSQU-UHFFFAOYSA-N 433.464 4.298 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CN[C@@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)cs2)c1 609707715 UUQOCVQJGGFWMN-ZWKOTPCHSA-N 437.443 4.342 5 20 IIBD Cc1cc(C(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)c2c(C)noc2n1 609816723 FPUAZONEOYRNFJ-UHFFFAOYSA-N 444.407 4.446 5 20 IIBD CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 609865819 IOAKGOLZVJBKAO-ZUOKHONESA-N 428.876 4.155 5 20 IIBD O=C(COc1ccc2ccccc2c1Br)N1CCc2c1cccc2[N+](=O)[O-] 609971472 HGKKUBOTALBTLP-UHFFFAOYSA-N 427.254 4.479 5 20 IIBD COc1cc(C(=O)Nc2ccnn2Cc2ccc(C(C)(C)C)cc2)cc([N+](=O)[O-])c1OC 610169104 UJACPRSDAFNVFY-UHFFFAOYSA-N 438.484 4.407 5 20 IIBD COc1cc(C(=O)N(C)c2ccc(Br)cc2Cl)cc([N+](=O)[O-])c1OC 610172908 LBIOREQFSGQJTA-UHFFFAOYSA-N 429.654 4.305 5 20 IIBD Cc1ccc(-c2csc(NC(=O)[C@H](C)c3ccc(S(C)(=O)=O)cc3)n2)cc1[N+](=O)[O-] 610648922 VDMVIRRNBUSIER-CYBMUJFWSA-N 445.522 4.172 5 20 IIBD CCNC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cc1 611200725 KMAWMNOVCATKQO-UHFFFAOYSA-N 427.526 4.309 5 20 IIBD CCNc1ccc(C(=O)N2CCOC[C@H]2c2c(C)nn(-c3ccccc3)c2C)cc1[N+](=O)[O-] 611546635 YCJOVPNJQTYZPY-QFIPXVFZSA-N 449.511 4.043 5 20 IIBD Cc1nc(C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)sc1C 618355695 YUXKWCCEBHMJAI-UHFFFAOYSA-N 442.566 4.355 5 20 IIBD CCOC(=O)CC[C@H]1CCCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 618854774 AAZRHQDOTUREOM-GOSISDBHSA-N 440.496 4.369 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H]1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 725790498 IOSZKNXUBIOQPB-INIZCTEOSA-N 425.485 4.177 5 20 IIBD O=C(COC(=O)C1(c2cccc(C(F)(F)F)c2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] 727560272 SSGYRQKRYPQJHL-UHFFFAOYSA-N 442.777 4.481 5 20 IIBD COc1ccc(CC(=O)OCc2cc(=O)oc3cc(C)c(C(C)C)cc23)cc1[N+](=O)[O-] 727886998 JZKFDBIGGVNGOH-UHFFFAOYSA-N 425.437 4.428 5 20 IIBD O=C(C[C@H](c1ccccc1)C(F)(F)F)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 729195648 QACPTFFPXGLXEJ-QGZVFWFLSA-N 437.418 4.486 5 20 IIBD Cc1ccc(S(=O)(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c(F)c1 729481691 HWXJHLUOTGRYPZ-UHFFFAOYSA-N 430.413 4.062 5 20 IIBD CC1(C)CN(C(=O)c2ccc(I)c([N+](=O)[O-])c2)[C@H]1c1ccccc1 730485145 VYIJHHFJAZQDPX-INIZCTEOSA-N 436.249 4.423 5 20 IIBD O=C(OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1cccc(OC2CCCC2)c1 731291366 BJIMLFQNNVFWQU-SFHVURJKSA-N 438.480 4.378 5 20 IIBD O=C(OCC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])c(F)c1 731515989 DEKJKOLMSDGJQI-NRFANRHFSA-N 440.452 4.127 5 20 IIBD C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1cc([N+](=O)[O-])ccc1I 734357520 WDBHVOJIUNTLKW-OCCSQVGLSA-N 436.249 4.218 5 20 IIBD CSc1ccc(C(=O)OC[C@@H]2CC(=O)N(C)[C@@H]2c2cccc(Cl)c2)cc1[N+](=O)[O-] 737383214 YONKRZJWSYYYLL-IFXJQAMLSA-N 434.901 4.347 5 20 IIBD O=C(NC1(c2cccc(C(F)(F)F)c2)CCC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 742014176 JYNNJIXTTLNXAA-UHFFFAOYSA-N 449.429 4.259 5 20 IIBD Cc1c(C(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 742944068 RVBIBWAYPRGTLC-LLVKDONJSA-N 445.819 4.314 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(Cn3ncc4c(Br)cccc43)CC2)cc1 743391453 VLCBKKFFGPMCAX-UHFFFAOYSA-N 431.290 4.208 5 20 IIBD CCOc1cc(N2CCC(OC(=O)CCc3nc4ccccc4o3)CC2)ccc1[N+](=O)[O-] 744205366 ZMKVTWUPLWJSFZ-UHFFFAOYSA-N 439.468 4.280 5 20 IIBD O=C(CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Nc1ccc(SC(F)F)cc1 744421518 INLUEJASFQFORL-UHFFFAOYSA-N 437.468 4.391 5 20 IIBD COC(=O)c1cccc(-c2nc(COC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)cs2)c1 744602025 WRNYUCAPRNOHGM-UHFFFAOYSA-N 437.433 4.343 5 20 IIBD CC(C)CC(=O)Nc1ccccc1C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 744642287 BLKGMDQDDMBQRT-ZDUSSCGKSA-N 447.875 4.417 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)c1 745389504 NJACOUHBPWBPKJ-UHFFFAOYSA-N 436.386 4.270 5 20 IIBD O=C(CNc1ccc(OCC2CCCCC2)cc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 748306561 UXHJIUWCRFSCQT-UHFFFAOYSA-N 427.457 4.333 5 20 IIBD CN(C[C@H]1CCOC1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 749432121 HKLHWKTWFVVNJS-OAQYLSRUSA-N 437.540 4.162 5 20 IIBD Cc1noc([C@H](OC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c2ccccc2)n1 750873160 QSFTVZDHQYVZIS-MRXNPFEDSA-N 437.330 4.174 5 20 IIBD CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(F)ccc1[N+](=O)[O-] 751071996 ISJFEVGFVGKDSA-UHFFFAOYSA-N 427.354 4.242 5 20 IIBD Nn1c(SCc2nc3cc([N+](=O)[O-])ccc3o2)nnc1-c1cc(Cl)ccc1Cl 751467669 YQTGTWRMYCDPNC-UHFFFAOYSA-N 437.268 4.307 5 20 IIBD O=C(Nc1ccccc1C(=O)Nc1ccc(CCO)cc1)c1ccc([N+](=O)[O-])cc1Cl 754953852 KKTVXYBKMZBFMY-UHFFFAOYSA-N 439.855 4.288 5 20 IIBD CCOc1ccccc1[C@H](CC)NC(=O)COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F 754984934 SSHLJNRBPFZNKG-INIZCTEOSA-N 438.839 4.210 5 20 IIBD COc1cc(CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)ccc1OC(F)F 755029785 ZGIWDWRVJCGVGR-UHFFFAOYSA-N 446.204 4.289 5 20 IIBD Cc1cc(F)cc(C(=O)N2CCN([C@H](C)c3nc4ccccc4s3)CC2)c1[N+](=O)[O-] 758379664 YYIBASRPIGKOSX-CQSZACIVSA-N 428.489 4.171 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(NC[C@@]3(Cc4ccc(F)cc4)CCC[C@@H]3O)CC2)cc1 760035526 ANPKVQCJPGOHGR-ZEQRLZLVSA-N 427.520 4.066 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cc(Br)cc([N+](=O)[O-])c1 760536064 FYNBMNDVRXWIBV-UHFFFAOYSA-N 448.185 4.278 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@@H](C)Sc1nc2ccccc2s1 762906471 HCGXJOUZWJHGJN-GFCCVEGCSA-N 431.495 4.175 5 20 IIBD O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)c1ccc([N+](=O)[O-])c(Cl)c1 764217695 UHARKLUICPZGAV-UHFFFAOYSA-N 433.855 4.426 5 20 IIBD O=C1CCc2cc(C(=O)Oc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)c(F)cc2N1 768167757 NNDGQVVSCFRVEZ-UHFFFAOYSA-N 449.394 4.090 5 20 IIBD CC(=O)[C@H](Cc1c(F)cccc1F)OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F 768744693 HDFQCJLQCZVDSK-INIZCTEOSA-N 446.175 4.132 5 20 IIBD O=C(O[C@@H]1Cc2ccccc2C1=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 770023463 XIQUTRQFNKVHAS-MRXNPFEDSA-N 432.219 4.052 5 20 IIBD COc1ccc(-n2nc(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)cc2C)cc1 770761871 QEPRHEWRTDFOHO-UHFFFAOYSA-N 431.246 4.112 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)n2)n1C 771465737 YNPCLWNJLLOYSZ-UHFFFAOYSA-N 438.425 4.413 5 20 IIBD CCc1nc2ccccc2n1C1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 771701857 MPDVGVFQNKJEPB-UHFFFAOYSA-N 433.512 4.241 5 20 IIBD CC(C)([C@H](OC(=O)C[C@H]1C(=O)Nc2ccccc21)c1ccc(Br)cc1)[N+](=O)[O-] 774371020 XVOWVFJOUKKYAI-CRAIPNDOSA-N 447.285 4.215 5 20 IIBD COc1cn(-c2ccccc2)nc1C(=O)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776135239 PMIZZDAIKWEOTD-JOCHJYFZSA-N 430.420 4.131 5 20 IIBD COc1ncc(/C=C\C(=O)N(CC(C)C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cn1 776347400 CLFXINUZHCCOFA-HJWRWDBZSA-N 439.497 4.219 5 20 IIBD C[C@@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccncc2)cc1 778002089 XLVHBPNQEMDODF-CQSZACIVSA-N 440.406 4.211 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1ccc2c(c1)CCC(=O)N2 780281960 AGAXIIISWVUIGJ-UHFFFAOYSA-N 428.466 4.021 5 20 IIBD CCS(=O)(=O)c1ccc(Br)c(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 781571724 ISYGVOWEBXCOEP-UHFFFAOYSA-N 447.694 4.057 5 20 IIBD O=C(Nc1cccc(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c1)c1cccs1 781597178 GRXBHONTINQSPA-GOSISDBHSA-N 436.449 4.040 5 20 IIBD COc1cc(-c2noc(COC(=O)c3cccc([N+](=O)[O-])c3Br)n2)ccc1C 781674770 KYTNXZNCLPAFCR-UHFFFAOYSA-N 448.229 4.081 5 20 IIBD O=C(Cc1cncs1)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 782357416 MIMSDPJXQLROHT-GOSISDBHSA-N 431.857 4.170 5 20 IIBD O=C(NCc1ccc(OC2CCCCC2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 783318183 FVMCWVPABDYCTR-UHFFFAOYSA-N 431.876 4.215 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)OC(C)(C)C)C1 784562606 YUXMBTOODHUMJK-RCCFBDPRSA-N 431.533 4.285 5 20 IIBD C[C@@H](OC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc2ncccc12 790744599 HIHIMHXETBXRIA-LLVKDONJSA-N 431.807 4.048 5 20 IIBD CCO[C@H](CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)c1ccccc1 790848416 WFMIOCZAPXZKDO-LJQANCHMSA-N 448.317 4.203 5 20 IIBD CCOC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)c(F)cc1C 791318124 RHHHTDHARIUQQH-UHFFFAOYSA-N 425.210 4.234 5 20 IIBD COc1cc(C(=O)OCC(=O)c2cc(C)n(Cc3ccco3)c2C)cc([N+](=O)[O-])c1C 791693397 YPYALUDBVHHEDV-UHFFFAOYSA-N 426.425 4.011 5 20 IIBD O=[N+]([O-])c1ccc(Br)c2c1CN(Cc1nnc(-c3ccccc3)s1)CC2 792892085 KBCILTBGGCYXEM-UHFFFAOYSA-N 431.315 4.434 5 20 IIBD CO[C@@H]1CCC[C@H](CC(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 796071138 XAUVOKLABHNSJU-SGMGOOAPSA-N 432.395 4.079 5 20 IIBD C[C@H](Cn1ccc2ccccc21)C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 797002834 YLBYIDAFUPMDSW-MJGOQNOKSA-N 435.480 4.034 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccccc1[C@@H](O)c1ccccn1 798262389 ILHOFIRNRUYIDU-HXUWFJFHSA-N 429.885 4.456 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCc3cc(F)cc(C)c3C2)c1=S 799950557 QPDDPAPBPZHRJM-UHFFFAOYSA-N 427.505 4.473 5 20 IIBD C[C@H](OC(=O)Cc1ccc(Cl)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 801483380 RCUXGJHYXQHHJT-QMMMGPOBSA-N 436.795 4.441 5 20 IIBD O=C(OCC(=O)c1ccc(C(F)(F)F)cn1)c1ccc2[nH]c3ccccc3c(=O)c2c1 805536325 XMTJGLWXCMIEEX-UHFFFAOYSA-N 426.350 4.135 5 20 IIBD CN([C@]1(c2ccccc2)CCCCC1=O)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F 810077773 QTQOSLOMCGMFTE-IBGZPJMESA-N 440.880 4.046 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 810141561 BSCGOCRQSWHFKB-INIZCTEOSA-N 448.520 4.104 5 20 IIBD CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCC(c2nc(-c3ccccc3)no2)CC1 811803494 UXORAVDUOXWXII-UHFFFAOYSA-N 440.431 4.345 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C(=O)Nc1cccc2ccccc12 814482688 IIBMFBKEPMHCOC-CYBMUJFWSA-N 425.416 4.137 5 20 IIBD CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[C@H]1NC(=O)OC(C)(C)C 815875594 BZWOZWFGIRSNBY-BLLLJJGKSA-N 445.438 4.379 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CCc2c(nnn2-c2ccccc2)C1 817087976 IRDJQTQWQVAHGK-UHFFFAOYSA-N 449.536 4.409 5 20 IIBD COc1ccc(NCc2ccc(Cl)cc2[N+](=O)[O-])cc1S(=O)(=O)N1CCCCC1 863996830 HRTGINZWUWIXCK-UHFFFAOYSA-N 439.921 4.044 5 20 IIBD Cc1cccc(NC(=O)[C@@H](OC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C(C)C)c1C 915468944 WHHNRACTBXTZMB-NRFANRHFSA-N 436.468 4.217 5 20 IIBD C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 917301879 VPKFFYAPXJOODY-SNVBAGLBSA-N 428.224 4.279 5 20 IIBD O=c1c(-c2ccccc2)coc2cc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3F)ccc12 917868350 SYNDKZFAPHKEFO-UHFFFAOYSA-N 441.392 4.275 5 20 IIBD COc1ccc(CSCC(=O)OCc2nc3cc(Cl)ccc3n2C)cc1[N+](=O)[O-] 919083852 NGLRQJOAJKAEGU-UHFFFAOYSA-N 435.889 4.120 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(-c2cccc(NC(=O)CCn3ccnc3)c2)n1 1116590836 IWGHHULNHBUGRU-UHFFFAOYSA-N 432.440 4.154 5 20 IIBD CCCc1c(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2N)cnn1-c1ccccc1 1116938486 RCOWWUVMMDYICF-UHFFFAOYSA-N 444.289 4.330 5 20 IIBD COc1cc2nc(C)sc2cc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1N 1256680302 VCAFETVETIPFHC-UHFFFAOYSA-N 437.275 4.119 5 20 IIBD CN(C(=O)Cc1ccc(NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc1)c1ccccc1 1319146631 OYEHXZDLPKMAQF-UHFFFAOYSA-N 430.464 4.348 5 20 IIBD CC(C)(C)OC(=O)N1CCc2cc(NC(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)ccc21 1319557620 GZCVTRLKKNHLCY-UHFFFAOYSA-N 438.484 4.483 5 20 IIBD O=C(NCCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1C(F)(F)F 1338750470 AJSLYYUAGILLRY-UHFFFAOYSA-N 433.386 4.393 5 20 IIBD COc1ccc(CN(CCc2ccccn2)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 1520141890 DLBUEYOALLIMKQ-UHFFFAOYSA-N 436.468 4.284 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3nc[nH]c3[N+](=O)[O-])CCC2)cc1)c1cc2ccccc2o1 1789004857 XSELVOOOJFXEOP-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@H]3C3CC3)CCC2)cc1 1790806908 FKSCLMJECFAIBC-PMACEKPBSA-N 449.507 4.403 5 20 IIBD Cc1cc(CCCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/C(C)C)c([N+](=O)[O-])cc1F 1803435638 WRVGIOYJVVXQKL-AXBYMPLYSA-N 445.535 4.215 5 20 IIBD CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])[nH]n1 1816814445 BIVIOCJYEFBQKX-INIZCTEOSA-N 433.896 4.006 5 20 IIBD Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C(C)C)CC2)cc1[N+](=O)[O-] 1832511741 DNJYRTVCWMWKJI-HWWNHIDJSA-N 441.572 4.278 5 20 IIBD CC(C)(C)CCCCCC(=O)N1CCCC12CN(C(=O)Cc1cccc([N+](=O)[O-])c1)C2 1846085466 KLKSSNAEEONHTR-UHFFFAOYSA-N 429.561 4.337 5 20 IIBD COc1ccccc1Nc1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2F)s1 3494691 PUAKEZKWKBVFPL-UHFFFAOYSA-N 435.462 4.068 5 20 IIBD O=C(COC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(Br)c(C(F)(F)F)c1 9765458 MNUULCLJNTUWKJ-UHFFFAOYSA-N 447.163 4.172 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NC[C@H](c3ccccc3)N3CCCC3)cc2)c(C)c1[N+](=O)[O-] 11652552 KAEKOKAGOOGCHP-HSZRJFAPSA-N 447.539 4.023 5 20 IIBD NC(=O)c1ccc(COC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)c([N+](=O)[O-])c1 16549620 MPYVSONVYZCRBA-UHFFFAOYSA-N 443.415 4.373 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2cn3ccc(C)cc3n2)c2ccccc2)c([N+](=O)[O-])c1 17183461 NIQOFFAOVNZVOU-QFIPXVFZSA-N 444.447 4.396 5 20 IIBD COc1ccc(C[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])c2ccc(OC)cc2)cc1 18109875 KHDDDVSPTLJLMH-NRFANRHFSA-N 436.464 4.091 5 20 IIBD COc1ccc(-c2nc(C)c(C(=O)O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)s2)cc1 19618638 RWXUDGQMGRDVHS-ZDUSSCGKSA-N 441.465 4.219 5 20 IIBD C[C@@H](Sc1nc(COc2ccc(Cl)cc2)n[nH]1)C(=O)Nc1cccc([N+](=O)[O-])c1 21158138 TYRZCIPNNLOSCM-LLVKDONJSA-N 433.877 4.065 5 20 IIBD Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)OC(=O)c1ccc(Br)c([N+](=O)[O-])c1 22184035 YNUAVGHROLLMDP-OLZOCXBDSA-N 435.274 4.088 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])N(C[C@@H]1CCCO1)c1nc2ccccc2s1 22475314 DPCGSLSYQNIPBZ-HNNXBMFYSA-N 426.498 4.219 5 20 IIBD Cc1c(C(=O)O[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cnn1-c1ccc(Cl)cc1 25774450 DJTRFOXPMJAXRK-GFCCVEGCSA-N 446.822 4.065 5 20 IIBD Cc1ccc(-c2noc(COC(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)n2)cc1 26161606 HDQGEGCTXQUGIB-UHFFFAOYSA-N 447.451 4.172 5 20 IIBD COc1cccc(Nc2nnc(SCCC(=O)Nc3ccccc3[N+](=O)[O-])s2)c1 26355720 LIVHIMDNVHCJMQ-UHFFFAOYSA-N 431.499 4.319 5 20 IIBD COc1ccccc1NC(=O)c1ccc(NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 26797836 QDVQZOXOBVWEQW-UHFFFAOYSA-N 434.452 4.215 5 20 IIBD COCCOc1ccc(C(F)(F)F)cc1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 27172654 XDWVDANIYVJYHF-GFCCVEGCSA-N 427.379 4.078 5 20 IIBD Cn1ccnc1[C@@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 29067120 LLFHSZDBWLSNIG-QHCPKHFHSA-N 441.491 4.460 5 20 IIBD C[C@H]1CCc2c(sc3ncnc(OCC(=O)Nc4cc([N+](=O)[O-])ccc4Cl)c23)C1 39562042 YERLCVDRDVQFMD-JTQLQIEISA-N 432.889 4.395 5 20 IIBD CCOC(=O)[C@H]1CCCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 57570647 FNGMWVYMWCVTDX-JXFKEZNVSA-N 445.903 4.203 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC(=O)N(c2ccccc2Br)C1 71861362 GRHOQFCJJKLROT-JTQLQIEISA-N 438.665 4.002 5 20 IIBD O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc2cccc([N+](=O)[O-])c2[nH]1 108885585 FPLKPOWCGBIYCU-UHFFFAOYSA-N 434.374 4.184 5 20 IIBD Cc1cc(C(=O)Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)c(C)n1Cc1cccs1 195741490 OCEBHNBOQRBYQY-UHFFFAOYSA-N 448.504 4.230 5 20 IIBD CCC[C@@H](NCc1ccc(OC)c([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 236915657 YMXACDIAWWQXPY-HXUWFJFHSA-N 426.517 4.101 5 20 IIBD CNS(=O)(=O)c1ccc([C@@H](C)NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 237388803 FKTSPJOHHLYXMS-CYBMUJFWSA-N 449.916 4.267 5 20 IIBD CN1CC[C@@H](CNc2cc3ncnc(O)c3cc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 301852691 BUDIUDLJHFACJP-BUXKBTBVSA-N 431.855 4.141 5 20 IIBD Cc1nc2cc(F)ccc2cc1C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 302920833 JYMWWHVXXVKYDM-FQEVSTJZSA-N 439.443 4.403 5 20 IIBD O=C(NCCCc1ccc(Br)cc1F)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 303634028 FXTBOQLVFNCEMI-UHFFFAOYSA-N 447.264 4.045 5 20 IIBD CO[C@@H](C)c1nc(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cs1 426638190 PGOWDIPEGRWORT-AWEZNQCLSA-N 427.482 4.268 5 20 IIBD CC(C)Sc1ccccc1NC(=O)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 427878712 RGYVAIPJFYCUKA-UHFFFAOYSA-N 441.431 4.369 5 20 IIBD CC1(C)CN(c2ccc(Cl)cc2)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 429298479 XJRGMBDRVNXVAL-UHFFFAOYSA-N 427.892 4.399 5 20 IIBD CN([C@@H](c1ccccc1)c1ncc[nH]1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 432262501 BLNOSRQUOFRMBO-HNNXBMFYSA-N 441.296 4.035 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1nnc([C@H]2CCCc3ccccc32)s1 432533058 YFUQPYKOYSLPHN-HNNXBMFYSA-N 430.511 4.024 5 20 IIBD O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 436174478 VKUMUECIGHJXOQ-OAHLLOKOSA-N 433.458 4.216 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1N1CCOCC1 437276060 LSYRMSOCJWJUST-WMLDXEAASA-N 436.295 4.024 5 20 IIBD CCOC(=O)CN(Cc1ccc(F)cc1)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 439262921 WGMKHMCPGALTAK-UHFFFAOYSA-N 437.427 4.001 5 20 IIBD O=[N+]([O-])c1ccc(NC[C@H]2CCC[C@H](C(F)(F)F)C2)c(S(=O)(=O)N2CCCC2)c1 439552178 PRKMCDANQSCNIV-KBPBESRZSA-N 435.468 4.160 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CC)C[C@H]1CCN(Cc2ccccc2)C1 439926750 IIVIPMPLTXZSAE-IBGZPJMESA-N 426.517 4.369 5 20 IIBD CCOCc1ccc(NC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])cc1 440449507 WRHQUADRDJVOGA-UHFFFAOYSA-N 443.481 4.428 5 20 IIBD O=C(NCCNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])NC1CCCCC1 442634668 HFUOXJVZLDVKQC-UHFFFAOYSA-N 442.541 4.108 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 444302150 IDUPGLWYJWKGJP-UHFFFAOYSA-N 440.425 4.374 5 20 IIBD Cc1c(-c2nc(-c3ccc([N+](=O)[O-])s3)no2)nnn1-c1cccc(Br)c1 445478882 STTOGIGNFILWPL-UHFFFAOYSA-N 433.247 4.025 5 20 IIBD COc1ccc(Br)cc1NC(=O)c1sc(Br)cc1[N+](=O)[O-] 446105042 XZDREZGHOVZURB-UHFFFAOYSA-N 436.081 4.442 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N(Cc1ccccc1)C[C@H]1CCCO1 446108432 MSEWGQMSSFLSBV-CYBMUJFWSA-N 425.304 4.240 5 20 IIBD Cc1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c2cc(Br)ccc2n1 446420987 ZDPIKANIBFVIEB-UHFFFAOYSA-N 426.270 4.412 5 20 IIBD Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 446856001 FRSPADJRFVXHCU-IBGZPJMESA-N 436.434 4.429 5 20 IIBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1c(F)ccc(Br)c1F 447184274 NQIAXDOFKIYEPW-UHFFFAOYSA-N 429.173 4.049 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 460213654 FETSYKJEUBNEEI-MSOLQXFVSA-N 447.417 4.204 5 20 IIBD COc1ccc([C@@H](C)N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCOC2)cc1 461594381 WMSJEXAOIRYGFZ-SJORKVTESA-N 437.500 4.096 5 20 IIBD CS[C@H]1CCCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCCO2)C1 461833720 PEYAZDQHIYLLRF-MOPGFXCFSA-N 431.562 4.144 5 20 IIBD COc1cc(OC)cc([C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)c2nccn2C)c1 462094828 CGSBDWYKGTWFGL-GOSISDBHSA-N 434.399 4.148 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2c3ccccc3CC[C@H]2C(C)C)cc1OC 462590620 JGBXRQYJZRPKTB-GAJHUEQPSA-N 442.512 4.318 5 20 IIBD COCC[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 462762606 NPHHKAZCBMXEEP-INIZCTEOSA-N 436.917 4.277 5 20 IIBD CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCN(c2ccccc2Cl)C1=O 463834341 AHARMKSWIFFCMC-HNNXBMFYSA-N 441.793 4.145 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1 463953685 WCQXRXXULVDUHK-SFHVURJKSA-N 426.517 4.233 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 463976386 MZGIGFHOXPMJHX-UXHICEINSA-N 432.908 4.058 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(Cc1cccc(Br)c1)C1CC1 464025711 QNVNPXOZQWETAU-UHFFFAOYSA-N 446.301 4.104 5 20 IIBD Cc1nc2sccn2c1CN(C)C(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 464811825 DJFDNGMOZGECIE-GJZGRUSLSA-N 441.557 4.367 5 20 IIBD Cc1ccc(OC(F)F)c(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 465012892 PSYSSNMCIGUQGX-UHFFFAOYSA-N 434.317 4.376 5 20 IIBD CN(C)Cc1ccc(-c2ccccc2CNC(=O)NCCc2ccccc2[N+](=O)[O-])cc1 465585221 MNWWKJRNUPGFBV-UHFFFAOYSA-N 432.524 4.365 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCO[C@H](c2cccc(Cl)c2)C1 466314874 SLRZIANNCSLLBE-INIZCTEOSA-N 425.666 4.224 5 20 IIBD COc1ccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1NC(=O)c1cccc(F)c1 466442293 VJELDDFLWJIQDU-UHFFFAOYSA-N 427.363 4.386 5 20 IIBD COc1ccccc1[C@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])OC(C)C 472463725 PKUVMSPAGMQTQL-NRFANRHFSA-N 438.484 4.146 5 20 IIBD CCN(CC)C(=O)c1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 475203427 DILBSPUKPKZWQM-UHFFFAOYSA-N 438.406 4.417 5 20 IIBD C[C@@H](SCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1nc(-c2ccccc2)no1 476165603 UQYAZGHUMRVECQ-CYBMUJFWSA-N 426.454 4.437 5 20 IIBD O=C(N[C@H](Cc1ccccn1)c1ccc(Br)cc1)c1cc(O)cc([N+](=O)[O-])c1 476545715 WKOXSRBIEKEXFV-LJQANCHMSA-N 442.269 4.172 5 20 IIBD O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)N1CCN(c2ccccc2[N+](=O)[O-])CC1 482389773 RHNITGRVFAMPEU-KRWDZBQOSA-N 444.360 4.008 5 20 IIBD C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 484796962 WQJGNIHULGXBJK-INIZCTEOSA-N 430.468 4.076 5 20 IIBD COC(=O)c1cc(NCc2nnc(-c3ccccc3Br)o2)c(C)c([N+](=O)[O-])c1 486202818 JETOPFJKBCVESE-UHFFFAOYSA-N 447.245 4.114 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N(CCc1ccccn1)Cc1ccc(F)cc1 487040233 JVEGCBSETJUKNW-UHFFFAOYSA-N 445.454 4.200 5 20 IIBD Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 487073745 PZDBLFAZXALMQP-UHFFFAOYSA-N 449.389 4.251 5 20 IIBD CCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 487341245 QVXUCPUFGDUBSM-QGZVFWFLSA-N 427.526 4.124 5 20 IIBD Cc1cc(-c2noc([C@@H](C)NC(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])n2)ccc1F 487822987 YETYZHBETRNOEE-GFCCVEGCSA-N 447.854 4.349 5 20 IIBD COc1c(F)cc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2C)cc1[N+](=O)[O-] 488286243 AKDZAETYHLXZAK-UHFFFAOYSA-N 446.456 4.431 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)NCCc2nc(-c3cccc(Cl)c3)no2)cc1[N+](=O)[O-] 489616044 GSVMUGBFASEZBL-CYBMUJFWSA-N 429.864 4.210 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1ccccc1OCc1ccccc1 492511882 RBUCWLAWMMCXNK-QZTJIDSGSA-N 447.491 4.170 5 20 IIBD O=C(c1ccc(OCC(F)(F)C(F)F)nc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 493158602 RIVNIJZEEKHHCH-UHFFFAOYSA-N 427.354 4.074 5 20 IIBD COC(=O)[C@H]1C[C@H](OC)CCN1Cc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 497200430 SBMORSWYMPDEGG-YLJYHZDGSA-N 430.526 4.207 5 20 IIBD Cc1ccnc([C@H](NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C2CC2)n1 497496919 ZXNNQBQHBZKNIW-MRXNPFEDSA-N 447.282 4.067 5 20 IIBD CS(=O)(=O)c1cccc(NCc2ccc(COCc3ccccc3)cc2)c1[N+](=O)[O-] 497533588 NUTVZPQGBATKFZ-UHFFFAOYSA-N 426.494 4.327 5 20 IIBD COc1cccc(CNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c1OC 498294235 ZVVHTHQZTYKEMA-UHFFFAOYSA-N 445.522 4.458 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)c1 498861557 TWTNBZYFQHYKBZ-UHFFFAOYSA-N 431.246 4.194 5 20 IIBD Cc1ccc(C)n1C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1 499014870 DDOKITFRZLRIOJ-UHFFFAOYSA-N 446.573 4.029 5 20 IIBD O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 503973326 PKQGTSMDDPDFOH-ZDUSSCGKSA-N 443.301 4.095 5 20 IIBD O=[N+]([O-])c1cccc(F)c1CSc1nnc(CN2CCCC2)n1Cc1ccccc1 504535542 BTJAGXVUPOEEEW-UHFFFAOYSA-N 427.505 4.262 5 20 IIBD Cn1c(C(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)ccc1[N+](=O)[O-] 504768413 IELVLBJXCICHFE-UHFFFAOYSA-N 432.358 4.457 5 20 IIBD COc1ccc(CN=c2cc(C)[nH]c(-c3ccc([N+](=O)[O-])cc3)n2)cc1Br 506747589 CKUFDSFHLRDIHL-UHFFFAOYSA-N 429.274 4.165 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 507400703 JZMHLIHJLKYJPX-SJORKVTESA-N 435.402 4.313 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 508605870 WSHCTEVZKWJDKD-UHFFFAOYSA-N 446.504 4.226 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 511784831 LXYAWCMWLGKVLA-UTKZUKDTSA-N 448.926 4.264 5 20 IIBD Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 514429362 PEYFTNNNDISTBX-UHFFFAOYSA-N 426.450 4.351 5 20 IIBD NC(=O)c1ccc(SCC(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)c([N+](=O)[O-])c1 518666132 YMFJQOHCHCDBOM-GOSISDBHSA-N 438.509 4.021 5 20 IIBD C[C@H](C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccccc1F 518736010 CFSATKBKGGTISC-ZDUSSCGKSA-N 425.382 4.205 5 20 IIBD CN1CC[C@H](CNC(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C1 520339189 GFJQWYLDHGSEGQ-YPOUMIDOSA-N 436.537 4.203 5 20 IIBD CO[C@H]1CCOc2c(NCc3cc(I)cc([N+](=O)[O-])c3)cccc21 520665673 YYESMLVJDYOYNE-INIZCTEOSA-N 440.237 4.282 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccn(Cc3ccncc3)n2)cc1 523317551 SKCALBQBVWLLIO-UHFFFAOYSA-N 445.435 4.288 5 20 IIBD COc1ccc(-c2nc(C)c(C(=O)Nc3n[nH]c(-c4cccc([N+](=O)[O-])c4)n3)s2)cc1 524192067 IPVXOQQBWLHVHA-UHFFFAOYSA-N 436.453 4.073 5 20 IIBD O=C(c1cc2cc(F)ccc2o1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 524554124 JYVVOYZOCZKISU-UHFFFAOYSA-N 437.349 4.461 5 20 IIBD CCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 533999388 GUXYMQCSEABEGY-UHFFFAOYSA-N 445.522 4.245 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2ccccc2F)CC1 535665101 CSECUWQUARTHMM-UHFFFAOYSA-N 446.500 4.409 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CS(=O)(=O)Cc3csc(C4CCCC4)n3)co2)cc1 536304775 FQKUKECPTVJYJH-UHFFFAOYSA-N 433.511 4.479 5 20 IIBD COc1cc(CCNC(=O)N2CC[C@H](c3ccccc3)C[C@@H]2C)c([N+](=O)[O-])cc1OC 538527341 DYKQQIGCSJXHLV-WMZOPIPTSA-N 427.501 4.132 5 20 IIBD O=C(N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 539442436 XRCBUIYLAWCMGH-RDJZCZTQSA-N 446.328 4.074 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 541329857 IJIGKPJQSWCSCC-UHFFFAOYSA-N 449.250 4.423 5 20 IIBD CCCc1c(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cnn1-c1cccc(F)c1 541488819 MIBPIQTVBOHYCP-UHFFFAOYSA-N 434.431 4.310 5 20 IIBD C[C@@H](NC(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1)c1cccc([N+](=O)[O-])c1 542441519 IQKRAPVRTNNCSR-CRAIPNDOSA-N 426.521 4.411 5 20 IIBD C[C@H](C(=O)N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F 542653206 JUADNLFWUBFHMB-WCAVRKLYSA-N 425.504 4.351 5 20 IIBD C[C@H](CCC(C)(C)C)C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 543443135 QEJHJSSTHJBHMR-GFCCVEGCSA-N 425.532 4.285 5 20 IIBD C[C@@H](C(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1F 543470377 HMVDOICAQZRPTA-OAHLLOKOSA-N 437.427 4.494 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)CSc1ccccc1[N+](=O)[O-] 544060856 ATGROISEVJQBEH-KZULUSFZSA-N 439.331 4.342 5 20 IIBD CCc1ccc(-c2noc([C@@H](C)NCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 544516842 JMXAJVVJXMTJAV-GFCCVEGCSA-N 429.864 4.150 5 20 IIBD CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1F 544617929 NNDQQMRBHGROMS-UHFFFAOYSA-N 428.386 4.348 5 20 IIBD CC(C)OC[C@H]1CN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCO1 545327281 XJWOYEWKTXPGHJ-NQIIRXRSSA-N 447.919 4.054 5 20 IIBD Cc1cc(-c2noc(-c3cc(Br)c(C)c([N+](=O)[O-])c3)n2)ccc1-n1cncn1 546473282 UDOPKNXZTQZJEU-UHFFFAOYSA-N 441.245 4.272 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCCC2=O)cc1[N+](=O)[O-] 546837332 FJIYBPWWEMSHEK-PKOBYXMFSA-N 434.558 4.333 5 20 IIBD Cn1ccnc1SCc1ccc(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)o1 547263646 MVMGKIKNNUIFQH-UHFFFAOYSA-N 436.453 4.336 5 20 IIBD CC(C)(C(=O)N1CCC(N2CCc3ccccc3C2)CC1)c1ccc([N+](=O)[O-])cc1F 547267104 AIUDWVBTVOQMQK-UHFFFAOYSA-N 425.504 4.061 5 20 IIBD Cc1c(NC(=O)[C@H](C)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)cccc1[N+](=O)[O-] 553026122 BZSBVYSEMHLJOL-INIZCTEOSA-N 439.491 4.324 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N[C@H](CCO)c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 553674509 JAHHJQXWSKEEGK-MRXNPFEDSA-N 449.294 4.402 5 20 IIBD COc1cccc(CN(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)c1OCc1ccccc1F 554843084 GBSRGQUJZAIRHM-UHFFFAOYSA-N 440.427 4.299 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OCC(=O)N(CC)CC)c(Cl)c2)c1 554882269 PUPQVDUYASNOFC-UHFFFAOYSA-N 449.891 4.146 5 20 IIBD Cn1ccnc1[C@H](Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1ccc([N+](=O)[O-])cc1 556890546 RKANEWQCPYCSDW-HSZRJFAPSA-N 431.496 4.219 5 20 IIBD CSc1cccc(C(=O)N2CCC3(CCN(Cc4ccccc4)CC3)C2)c1[N+](=O)[O-] 558306120 YXCSVBVUYCSNDA-UHFFFAOYSA-N 425.554 4.445 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC1CCC(N2CCC(C)CC2)CC1 559576228 GCTSRFIMCRQEAZ-UHFFFAOYSA-N 438.366 4.439 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CNCCc2nc3ccccc3s2)c1 566826590 QVYDVJSIAFASLY-UHFFFAOYSA-N 439.278 4.141 5 20 IIBD Cc1nn(Cc2ccccc2Cl)c(C)c1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 569636421 SUBWQEVXRYLZJV-GOSISDBHSA-N 440.935 4.191 5 20 IIBD CCCOCc1ccccc1CNCc1cc(I)cc([N+](=O)[O-])c1 570862226 LGQYBPTXPQPMFI-UHFFFAOYSA-N 440.281 4.416 5 20 IIBD Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 571533870 HEMLUDJHMRTKGX-PBHICJAKSA-N 442.903 4.365 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 573269656 SBAGTCWSDHGUSO-UHFFFAOYSA-N 437.427 4.166 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(F)c2Cn2cccc(C)c2=O)c1 574603722 METURFUAIKIXOD-UHFFFAOYSA-N 427.457 4.227 5 20 IIBD CN(C)CCn1nccc1NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 577317456 XXUYVWNIHCLTBG-UHFFFAOYSA-N 445.932 4.410 5 20 IIBD C[C@@H]1CN(Cc2cc(I)cc([N+](=O)[O-])c2)C[C@@H](c2ccsc2)O1 577920363 NUUGOCHVROLUSW-BZNIZROVSA-N 444.294 4.223 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC(CN2CCCCCC2)CC1 585698301 MGPQNPSMSDQPAT-UHFFFAOYSA-N 438.366 4.394 5 20 IIBD O=C(NC[C@@H](NCc1ccccc1)c1ccco1)c1ccc(Br)cc1[N+](=O)[O-] 586875413 NKKJILKOEFHMNW-QGZVFWFLSA-N 444.285 4.211 5 20 IIBD COc1ccc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1NC(C)=O 603446671 ICEKRSKHUSINET-UHFFFAOYSA-N 440.378 4.021 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](CCc1ccccc1)c1ccccc1 604039780 NXYBDYWJULLJMT-FQEVSTJZSA-N 426.494 4.256 5 20 IIBD O=[N+]([O-])c1ccc(OCCCNC2(c3cccc(Br)c3)CCOCC2)cc1 604324421 AJALBMNDBMYICK-UHFFFAOYSA-N 435.318 4.422 5 20 IIBD CCOc1ccc(CCC2CCN(C(=O)COc3ccc([N+](=O)[O-])c(OC)c3)CC2)cc1 604456797 UNLLDPRJITWIDW-UHFFFAOYSA-N 442.512 4.252 5 20 IIBD CCOC(=O)c1sc(NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)nc1-c1ccccc1 609010283 VSBOINQCIBEKSG-UHFFFAOYSA-N 441.465 4.085 5 20 IIBD COc1ccc(CC(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2C)cc1[N+](=O)[O-] 609011382 UCEKMCRQJOKPCB-UHFFFAOYSA-N 435.484 4.078 5 20 IIBD CC(C)[C@H](NC(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)c1nc(C2CC2)no1 609022195 HVAUHORVIKAOBG-MDOVXXIYSA-N 441.532 4.465 5 20 IIBD CN1CCC(N(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c2ccccc2)CC1 609566353 WEHAWAAOPVPMJW-UHFFFAOYSA-N 437.418 4.277 5 20 IIBD C[C@H](Oc1ccccc1NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 609689579 OVPQUGIQJDMUDN-KRWDZBQOSA-N 433.464 4.032 5 20 IIBD COc1ccc(CN[C@H](CO)c2c(F)cccc2F)cc1OCc1ccc([N+](=O)[O-])cc1 609708348 GJXSVIIYEGBQPO-HXUWFJFHSA-N 444.434 4.284 5 20 IIBD COc1ccc(C(=O)NCC(=O)N[C@H](c2ccc(Cl)cc2)C2CCCC2)cc1[N+](=O)[O-] 609806194 WAQNNGKUCZGKCA-NRFANRHFSA-N 445.903 4.034 5 20 IIBD Cc1ccc(NC(=O)COc2ccc(Br)cc2[N+](=O)[O-])c(Br)c1 610219524 HUSSYDMIBDXKDO-UHFFFAOYSA-N 444.079 4.446 5 20 IIBD O=C1NCCc2ccc(NCc3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)cc21 610911072 KMUNDTWVYBYWLQ-UHFFFAOYSA-N 439.475 4.346 5 20 IIBD Cc1nc(-c2ccsc2)ccc1C(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 726231169 NLJSMAGLWBOAHS-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cccc(SC(F)F)c2)ccc1[N+](=O)[O-] 727344888 KXDRIAAFSNLSKM-QGZVFWFLSA-N 435.452 4.461 5 20 IIBD O=C(Nc1ccc(Br)cc1)c1ccc(I)c([N+](=O)[O-])c1 727746446 KDFJQLKGWKQVAC-UHFFFAOYSA-N 447.026 4.214 5 20 IIBD CS(=O)(=O)c1ccc(Nc2ccc(CC[C@H](O)c3ccccc3)cc2)c([N+](=O)[O-])c1 727757409 FNQZSSMWTDASOQ-QFIPXVFZSA-N 426.494 4.408 5 20 IIBD CCOC(=O)c1cc(S(=O)(=O)Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])ccc1F 728585970 RFZKUZBQNVPACD-UHFFFAOYSA-N 445.424 4.345 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)C[C@H](c1ccccc1)C(F)(F)F 728658278 UDOPPBJNERXCAO-IUODEOHRSA-N 440.374 4.210 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c(Br)c1 728867578 OAVRGWOOYIWXSW-AGEOTTOMSA-N 433.258 4.249 5 20 IIBD O=C1OC(c2c(Cl)cccc2[N+](=O)[O-])=N/C1=C/c1ccc(OCCN2CCCC2)cc1 730957423 CONCVIHWDKSPFO-NBVRZTHBSA-N 441.871 4.067 5 20 IIBD O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1ccccc1CS(=O)(=O)c1ccccc1 731167562 YNIVGPJOJVBMOC-UHFFFAOYSA-N 429.425 4.065 5 20 IIBD COc1cc(Cl)c(C(=O)COC(=O)c2cc(SC)ccc2[N+](=O)[O-])cc1OC 731507271 KXJAATFLQMQGEH-UHFFFAOYSA-N 425.846 4.027 5 20 IIBD COc1cc(-c2nc(COC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)cs2)ccc1O 733425724 LKPDIJWDHBVYQD-UHFFFAOYSA-N 425.422 4.271 5 20 IIBD CC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccc(Cl)s1 733937178 OSPQEHXGRUTKQB-ZWNOBZJWSA-N 425.869 4.069 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)O[C@@H](c1ccc(Br)cc1)C1CC1 734726257 FFTGSCTUGIUALG-LJQANCHMSA-N 430.258 4.402 5 20 IIBD CCNC(=O)c1ccc(OC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)cc1 734779451 URPWLURKORKOFQ-UHFFFAOYSA-N 443.506 4.480 5 20 IIBD Cc1cc(Br)c(N)c(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 735717430 JFVIIVONICZHNY-SNVBAGLBSA-N 447.245 4.216 5 20 IIBD CN(C(=O)C1CC1)c1ccccc1C(=O)OCc1ccc([N+](=O)[O-])cc1Br 739577708 FNNSNFDDGFOVMM-UHFFFAOYSA-N 433.258 4.087 5 20 IIBD CC(C)NC(=O)Nc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2Br)cc1 740582299 YGVDZASOZGCSLI-UHFFFAOYSA-N 436.262 4.244 5 20 IIBD CN(CC(C)(C)C)C(=O)c1cccc(C(=O)OCCN(C)c2ccc([N+](=O)[O-])cc2)c1 744075251 SSGNJEHJKDGIBV-UHFFFAOYSA-N 427.501 4.006 5 20 IIBD Cc1ccc(N2CCCC2)c(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 745051465 AQEKLRDHUJJRDV-CQSZACIVSA-N 431.876 4.341 5 20 IIBD COc1ccc(-c2ncc(C(=O)OCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)s2)cc1 745559791 YEARDDCLVFUQGC-UHFFFAOYSA-N 438.421 4.134 5 20 IIBD Cc1c(C(=O)O[C@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748947512 MPTHYXLAEKMKPB-SWLSCSKDSA-N 441.440 4.033 5 20 IIBD C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 752341445 WRMFKQPAILRNKE-ZIAGYGMSSA-N 446.529 4.094 5 20 IIBD CC(C)(C)OC(=O)N1CCc2c(NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)cccc21 753785052 KSISGFBEBOZUTB-UHFFFAOYSA-N 449.467 4.330 5 20 IIBD COc1cc([C@@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1SC(F)F 757676193 RUDISYWTKKJSRK-GFCCVEGCSA-N 446.497 4.043 5 20 IIBD Cc1n[nH]c(C)c1[C@@H](C)CC(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 759815699 ONSHGJLJRARZLA-JOYOIKCWSA-N 442.394 4.018 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1CC(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760482189 CWVKOBCSZZVCDX-UHFFFAOYSA-N 432.436 4.338 5 20 IIBD O=C(Cc1ccc(F)c(Br)c1)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760503586 KWNQUQYFJFYFRL-UHFFFAOYSA-N 435.205 4.437 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C2 762626326 ZRYJDYVVYZLSGS-UHFFFAOYSA-N 449.523 4.261 5 20 IIBD O=C(CNc1ccc(Cl)c([N+](=O)[O-])c1)NCc1cccc(COCc2ccco2)c1 762775757 HXXRIFWCIMKQIV-UHFFFAOYSA-N 429.860 4.286 5 20 IIBD O=C(OCC(=O)C1CCC(F)(F)CC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 763130930 HAWYGMUWPZYUAZ-UHFFFAOYSA-N 425.306 4.087 5 20 IIBD CCOc1ccc(-c2nc(C(=O)Oc3ccc(C(=O)OC)c([N+](=O)[O-])c3)cs2)cc1 763701434 OXXDVWVCCOKUKN-UHFFFAOYSA-N 428.422 4.123 5 20 IIBD Cc1ccc(F)c(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1F 766973795 FEAIAZKOKCVYJY-NSHDSACASA-N 447.419 4.489 5 20 IIBD CC(=O)[C@H](Cc1ccc(F)c(F)c1F)OC(=O)c1cc(Br)cc([N+](=O)[O-])c1 768773438 FBWODFLJHGZLKP-AWEZNQCLSA-N 446.175 4.132 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 769886181 FXGZXTSIMXCOAN-LBPRGKRZSA-N 435.820 4.266 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)OCc1nnc(C(=O)Nc2ccc(F)cc2)s1 769891630 UWGHOJYLVMYPKP-UHFFFAOYSA-N 444.444 4.120 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)cccc1[N+](=O)[O-] 770141629 MLTMNZCCTCNLRZ-HNNXBMFYSA-N 447.447 4.084 5 20 IIBD C[C@@H](Cc1noc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1)N(C)C(=O)OC(C)(C)C 771122594 UCCOELHQCIIFKA-AWEZNQCLSA-N 431.493 4.043 5 20 IIBD O=C(O[C@@H]1CCN(c2cccc(Cl)c2)C1=O)c1sc(Br)cc1[N+](=O)[O-] 773600424 SRLVMIJNNDEWKU-LLVKDONJSA-N 445.678 4.035 5 20 IIBD COc1ccccc1-c1csc([C@H]2CCCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C2)n1 773667517 GONMODJIDAHLEZ-HNNXBMFYSA-N 438.509 4.329 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1sc(-c2ccc(F)c(F)c2)nc1C 778147296 OPTQDGCCDWOINZ-UHFFFAOYSA-N 447.419 4.409 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 778720672 WARNNPYGTHUFIJ-DZGCQCFKSA-N 446.529 4.094 5 20 IIBD C[C@H](OC(=O)[C@H](c1cccc(Cl)c1)N(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 780106725 RFSCBIUXYFSCGO-GTNSWQLSSA-N 440.283 4.075 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 781438272 WDNRMNPEVLBVSM-UHFFFAOYSA-N 441.333 4.394 5 20 IIBD Cc1cccc(OCc2nnc(S[C@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)o2)c1 781949171 HSXJCDMKBVGUPB-GFCCVEGCSA-N 432.433 4.124 5 20 IIBD Cc1ccccc1CN(Cc1ccccn1)C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781965057 GVJGKHZLWHLFCW-QHCPKHFHSA-N 430.464 4.020 5 20 IIBD COc1ccc(NC(=O)NCc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)cc1[N+](=O)[O-] 782066036 WFMZSXPLWYALRY-UHFFFAOYSA-N 442.472 4.176 5 20 IIBD CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cccc([N+](=O)[O-])c1Br 782171974 FXVOZFIAXOTGIE-KRWDZBQOSA-N 446.345 4.342 5 20 IIBD CC(=O)OCCc1cccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 783611737 DQCUUODMIFMLIF-UHFFFAOYSA-N 425.485 4.189 5 20 IIBD COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)OC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c1 784257410 APGDGQFTPQLGIK-CABCVRRESA-N 444.484 4.158 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Oc2ccc(F)c(C(F)(F)F)c2)cc1OC 786658168 ZSSHGGWCHXTCFP-UHFFFAOYSA-N 433.310 4.006 5 20 IIBD Cc1nn(Cc2ccccc2Cl)c(Cl)c1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 787288846 NVOXCDUPTVDULA-UHFFFAOYSA-N 449.342 4.488 5 20 IIBD Cc1ccc(Cn2nc(C)c(CN3CCC(n4ccc([N+](=O)[O-])n4)CC3)c2Cl)cc1 787289803 XUDYQENQLAMZIS-UHFFFAOYSA-N 428.924 4.143 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1=O 789712572 LHAAOVRTCSPIIK-HXUWFJFHSA-N 441.553 4.360 5 20 IIBD COC(=O)c1ccc(C(F)(F)F)nc1S[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 790278301 YYSXTRTZOMJEQZ-MRVPVSSYSA-N 447.366 4.054 5 20 IIBD O=[N+]([O-])c1ccc(Br)c2c1CN(S(=O)(=O)c1cccc(C(F)F)c1)CC2 790370636 PLIPDDIRPLMZBF-UHFFFAOYSA-N 447.257 4.042 5 20 IIBD C[C@H](CC(=O)c1ccccc1F)C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791172361 NTEFBBLJVWTSDK-GFCCVEGCSA-N 449.276 4.290 5 20 IIBD CN(C)c1cc(F)c(C(=O)Nc2ccccc2NC(=O)C[C@H]2C=CCC2)cc1[N+](=O)[O-] 791355953 FTYOHHPOIGKVRZ-AWEZNQCLSA-N 426.448 4.347 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(F)c(NC(=O)OC(C)(C)C)c2)c(C)c([N+](=O)[O-])c1 792626045 KUHSGOZJRAAMNF-UHFFFAOYSA-N 447.419 4.428 5 20 IIBD COc1ccc(C[C@@H](C)CN(C)C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 793014238 LZATVUQLLOHRFN-MRXNPFEDSA-N 441.528 4.177 5 20 IIBD CC(C)c1[nH]nc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1[N+](=O)[O-] 796254401 HMKBSSKLGKVFNN-MRVPVSSYSA-N 448.785 4.298 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@H](c2nc(-c3c(Cl)nc4cc(Cl)ccn34)no2)C1 809530382 RQGZIKJKANSUKZ-ZDUSSCGKSA-N 445.222 4.465 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ncc(C(C)(C)O)s2)cc1[N+](=O)[O-])c1ccccn1 811619995 PVVPFAOKYCHOBG-LBPRGKRZSA-N 427.486 4.099 5 20 IIBD CCOc1ccc([C@@H](O)C2CCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)CC2)cc1 812678533 MGGWROBFZXLBMJ-HSZRJFAPSA-N 439.512 4.154 5 20 IIBD COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813249511 NIGIZUAUZMHYGR-SMDDNHRTSA-N 425.268 4.052 5 20 IIBD Cc1nc(CN2CCC(CNC(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC2)oc1C 813450682 ZSPFIKFDFUTSKT-UHFFFAOYSA-N 441.315 4.148 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H](O)c1ccc(C(F)(F)F)cc1 813617659 BLWHRFHUZDLWSI-AWEZNQCLSA-N 434.823 4.209 5 20 IIBD Cc1cc(Br)ccc1N(C)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] 814997788 GCKJBGLVNBJCGZ-UHFFFAOYSA-N 437.674 4.283 5 20 IIBD Cc1csc(Sc2ccc(C(=O)OCc3nc(C(C)(C)C)n[nH]3)cc2[N+](=O)[O-])n1 816407882 SDOAIIDCCSQJEN-UHFFFAOYSA-N 433.515 4.284 5 20 IIBD COc1ccc(CCC(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1Cl 818175484 KPXSFZBWCGSNPC-NSHDSACASA-N 441.267 4.413 5 20 IIBD CCOc1ccc(-c2nc(COC(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)cs2)cc1 915523066 YGVCQRHTFKVFOJ-UHFFFAOYSA-N 438.465 4.210 5 20 IIBD O=C(N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 916389691 NIIFJLCJONGTOE-HXUWFJFHSA-N 449.398 4.163 5 20 IIBD CC[C@H]1c2ccsc2CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 917863382 PDQJCQYRWNKLQE-ZDUSSCGKSA-N 431.333 4.117 5 20 IIBD O=C(OCc1cc(F)ccc1[N+](=O)[O-])C1CCN(C(=O)c2ccc(Cl)s2)CC1 918772277 KBQKUENKHDTDQG-UHFFFAOYSA-N 426.853 4.044 5 20 IIBD CC(=O)N1CCN(c2ccc(C(=O)Oc3ccccc3-c3ccccc3)cc2[N+](=O)[O-])CC1 920087959 WEVYOYIRHQFEHV-UHFFFAOYSA-N 445.475 4.150 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])Oc1c(Br)cccc1Br 921290500 IQNBUSHFOIGFNC-UHFFFAOYSA-N 431.036 4.104 5 20 IIBD C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)c1nc(C(C)(C)C)cs1 1116002376 JWVPXGPOZHARKI-SECBINFHSA-N 448.364 4.151 5 20 IIBD O=C(c1ccc(CSCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cc1)N1CCCC1 1318656315 DHDKXAIYRFRGIA-UHFFFAOYSA-N 441.509 4.062 5 20 IIBD O=C(c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)N1Cc2ccc([N+](=O)[O-])cc2C1 1319177441 LMXVGUIUXCCZBD-UHFFFAOYSA-N 435.440 4.199 5 20 IIBD O=C(CN1Cc2ccc([N+](=O)[O-])cc2C1)N(Cc1ccccc1)c1nc2c(s1)CCCC2 1319939506 PQAUYWPIICIFEG-UHFFFAOYSA-N 448.548 4.479 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@H]4C4CC4)cc3)CCC2)ncc1[N+](=O)[O-] 1786053585 QHFGLGOTNQIGFU-RBUKOAKNSA-N 434.496 4.092 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])cc4F)CCC3)cc2)on1 1787402487 ZQGIXQLYRBQTNS-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)Cc4ccccc4)CCC3)cc2)ncc1[N+](=O)[O-] 1788764833 MBZLEGMZLZOMIO-UHFFFAOYSA-N 444.491 4.289 5 20 IIBD C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1cccc([N+](=O)[O-])c1)c1cccs1 1793944186 MRTZTEVORFSEDI-KANFNMMFSA-N 441.553 4.031 5 20 IIBD C[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 1804345956 YDSBBDWVBXYHNI-YUOPNXGASA-N 433.508 4.050 5 20 IIBD CCc1ccc(C(=O)N2CCC3(CCCN(C(=O)Cc4cccc([N+](=O)[O-])c4)C3)CC2)cc1 1804753763 GXMFTZSRFHFZFP-UHFFFAOYSA-N 449.551 4.245 5 20 IIBD CC(C)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)[nH]n1 1821933573 WURXLMBOWSYOTR-GOSISDBHSA-N 431.468 4.199 5 20 IIBD O=C(CCc1ccsc1)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823611738 JETPVMQPBYELAM-GOSISDBHSA-N 445.541 4.115 5 20 IIBD CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3cc([N+](=O)[O-])ccc3F)CC2)CCC1 1823707611 MAOREAGWJLRDSA-OAQYLSRUSA-N 445.535 4.086 5 20 IIBD O=C(c1ccco1)N1CCC([C@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1824839159 ZGUWMVZESNTSNW-OAQYLSRUSA-N 439.512 4.054 5 20 IIBD C[C@@H]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830617426 OYNJJTDPMKKYMQ-HVETUWLQSA-N 445.535 4.403 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)c([N+](=O)[O-])cc1OC 3498234 LQRFSXOTJRGCAY-SECBINFHSA-N 443.239 4.103 5 20 IIBD CN(C(=O)c1ccccc1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1 3568937 HAETZCCAXVYXAA-UHFFFAOYSA-N 448.431 4.095 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2ccc(C3SCCS3)cc2)c([N+](=O)[O-])c1 9793562 WPZOQEVMKZKTLF-UHFFFAOYSA-N 448.522 4.268 5 20 IIBD CCCOc1c(Cl)cc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1OC 12251879 IHNZVCFGVORVOL-UHFFFAOYSA-N 437.832 4.269 5 20 IIBD CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 14570977 XTNOSYGHNHNLAP-UHFFFAOYSA-N 435.267 4.191 5 20 IIBD CCOC(=O)C1=C(C)N(Cc2cccs2)C(=O)N[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 16494868 GQVIPDWVCRPNBQ-KRWDZBQOSA-N 435.889 4.413 5 20 IIBD C[C@@H](OC(=O)[C@H]1COc2ccc(Cl)cc2C1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 16797206 ZBSQAZNKLTUXKF-BXUZGUMPSA-N 429.816 4.154 5 20 IIBD C[C@H](OC(=O)CSCc1ccc(F)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 22670285 GSRFUONKESMMMS-NSHDSACASA-N 426.853 4.191 5 20 IIBD C[C@H](OC(=O)Cc1csc(-c2ccccc2Cl)n1)C(=O)Nc1ccccc1[N+](=O)[O-] 26674917 DZROHFUVNAMOOG-LBPRGKRZSA-N 445.884 4.485 5 20 IIBD COc1cc(C(=O)OCc2c(C)nn(-c3ccccc3)c2Cl)c([N+](=O)[O-])cc1OC 27330936 AFDCBCKIDQDSAL-UHFFFAOYSA-N 431.832 4.117 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)cc1OC 27378276 LEYRMRBUAKMBFQ-AWEZNQCLSA-N 425.441 4.163 5 20 IIBD COc1ccc(CN(C)C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c(OC)c1 29267448 AUZGESCCGIOHCC-UHFFFAOYSA-N 435.480 4.496 5 20 IIBD Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 30509909 MYHYBZNLTVJHEH-UHFFFAOYSA-N 444.944 4.273 5 20 IIBD COc1ccc2[nH]cc(C3=CCN(S(=O)(=O)c4ccc(Cl)cc4[N+](=O)[O-])CC3)c2c1 32444614 HOYQGCUHSFVMPO-UHFFFAOYSA-N 447.900 4.216 5 20 IIBD O=C(NCc1cccc(OCc2ccccn2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 46844337 QRSODEDDNILLFP-UHFFFAOYSA-N 432.480 4.099 5 20 IIBD COc1c(Br)cc(Br)cc1CNCCc1ccc([N+](=O)[O-])cc1 58093507 HLNCFLOMKLXHDI-UHFFFAOYSA-N 444.123 4.461 5 20 IIBD COc1ccc(S(=O)(=O)N(Cc2cccnc2)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 59122274 AEGNSRZWTUOOAR-UHFFFAOYSA-N 433.873 4.047 5 20 IIBD COc1ccc(CCCNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1OC 65086538 FIUOKZZMFSFORE-UHFFFAOYSA-N 441.528 4.211 5 20 IIBD CCc1ccc(C(=O)Nc2ccc(-n3ncc(C(=O)O)c3C(F)(F)F)cc2)cc1[N+](=O)[O-] 237129288 MUFWQGNEDMOHLU-UHFFFAOYSA-N 448.357 4.312 5 20 IIBD COc1ccc([C@H](C)Nc2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])cc1Br 301071103 FEDURFPWVKHPKA-JTQLQIEISA-N 440.250 4.248 5 20 IIBD COc1ccccc1CC(=O)N1CCC(Nc2ccc(Br)cc2[N+](=O)[O-])CC1 301190322 RJYPOAQILUHWFO-UHFFFAOYSA-N 448.317 4.012 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCC[C@H](c2nc3ccccc3o2)C1 301237847 LAUHPJBNMFXQEF-LBPRGKRZSA-N 437.424 4.116 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NC1CCN(C2CCCC2)CC1 301560490 UFRHUQYNTRBDJC-UHFFFAOYSA-N 444.557 4.215 5 20 IIBD O=[N+]([O-])c1cccc(CNc2nc3cccnc3nc2NCc2cccc([N+](=O)[O-])c2)c1 301639829 YGDCBSMNITYBDW-UHFFFAOYSA-N 431.412 4.065 5 20 IIBD CCn1c(Sc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 302187802 QCSPVIYRBMRRAP-UHFFFAOYSA-N 444.947 4.143 5 20 IIBD O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCC[C@H](c2nnc3ccccn23)C1 302848313 NJCXLTRTTFXYAS-SFHVURJKSA-N 442.479 4.401 5 20 IIBD CCN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C[C@@H](O)C(F)(F)F 428410155 AGRSBXNKPJAWPC-OAHLLOKOSA-N 437.212 4.362 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C 428774007 UGNSKTXQEBRLRE-KUHUBIRLSA-N 437.418 4.323 5 20 IIBD CSc1ccc(C(=O)N2CCN(C(=O)c3cc4ccccc4s3)CC2)cc1[N+](=O)[O-] 434004997 FGDFZMSETZZLRE-UHFFFAOYSA-N 441.534 4.130 5 20 IIBD CC(=O)Nc1cc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)ccc1F 435943548 QFTVLSYLOXFDLH-UHFFFAOYSA-N 425.366 4.309 5 20 IIBD CC(C)(C)CCN1CCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CC1 436146648 LTNRKXAZDPEVJQ-UHFFFAOYSA-N 427.495 4.154 5 20 IIBD CC(C)COc1ccc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1Cl 437033362 GFHBBVRIUYAVDX-UHFFFAOYSA-N 445.903 4.413 5 20 IIBD CC(C)c1ccc(C(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)cc1[N+](=O)[O-] 438976082 RXYIITJYRCJUQT-SFHVURJKSA-N 426.473 4.271 5 20 IIBD CC(C)c1ccc(C(=O)NCc2csc(CNC(=O)c3ccccc3)n2)cc1[N+](=O)[O-] 438979639 YEMFDLJITOLLJS-UHFFFAOYSA-N 438.509 4.035 5 20 IIBD CCCN(C(=O)c1nnn(-c2cccc(Br)c2)c1C)c1cccc([N+](=O)[O-])c1 441482827 DVCKXFYYSFXRTN-UHFFFAOYSA-N 444.289 4.303 5 20 IIBD COc1cc(Br)c(C(=O)COc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 442906429 VTSYZBMBNONOSF-UHFFFAOYSA-N 430.638 4.290 5 20 IIBD Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444630246 FXHUQOLEZCHXQS-UHFFFAOYSA-N 435.509 4.492 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@@H](c3nccn3C)C2)c([N+](=O)[O-])c1 444799375 HYOGOXAYJLQGMI-KNQAVFIVSA-N 433.512 4.196 5 20 IIBD CCN(CC)[C@H](CNC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccccc1 444829438 RLHVYAKFOIAMCG-CQSZACIVSA-N 426.336 4.232 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)[C@@H](NCCc1ccc(S(=O)(=O)N3CCCCC3)s1)CCC2 447564508 XJXVYWLMXXPGPR-FQEVSTJZSA-N 449.598 4.041 5 20 IIBD Cc1c(CN[C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cccc1[N+](=O)[O-] 462181188 PLDPEYOPINOVLT-QFIPXVFZSA-N 428.485 4.325 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 462492528 GFFRVNDFHKBMBD-ZIFCJYIRSA-N 439.512 4.052 5 20 IIBD CCN(CC(C)(C)C)C(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 462985033 GZPKKYYJTYVLBR-UHFFFAOYSA-N 433.530 4.212 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)[C@@H]1SCCc2ccccc21)c1ccccc1[N+](=O)[O-] 463445270 UKIOUSDDOPDURF-GHTZIAJQSA-N 428.510 4.124 5 20 IIBD COc1cc2c(cc1NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)NC(=O)CC2 464461292 PFVGXMVVKQSTQF-UHFFFAOYSA-N 446.463 4.353 5 20 IIBD Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464634425 CVANFSILVCHBRI-UHFFFAOYSA-N 438.459 4.220 5 20 IIBD O=C(NCCCO[C@@H]1CCOC1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 465077898 RWZVDRHOBACAFX-MRXNPFEDSA-N 436.917 4.325 5 20 IIBD CC(C)Oc1ccc(NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(C(F)(F)F)c1 465122771 QMQWKOLVIUHRNE-UHFFFAOYSA-N 440.374 4.353 5 20 IIBD C[C@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 465210578 ZLMVJUSBMPDKLD-ZDUSSCGKSA-N 434.374 4.213 5 20 IIBD CCOc1cc(NC(=O)N[C@H]2CCOc3ccc(OC)cc32)c([N+](=O)[O-])cc1OCC 467092934 OUZCUIPTGJUDTI-HNNXBMFYSA-N 431.445 4.046 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC1CCN(Cc2ccc(Cl)cc2)CC1 467218140 NTYAFEZSEVDCOJ-UHFFFAOYSA-N 437.327 4.365 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCc2nc3ccc(F)cc3[nH]2)cc1[N+](=O)[O-])c1ccccn1 467502406 LFYNRGNUGPZUTN-CYBMUJFWSA-N 434.431 4.108 5 20 IIBD C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CCC(OC(C)(C)C)CC1 469113641 XPMYHVKIKAFHIS-CQSZACIVSA-N 432.546 4.325 5 20 IIBD Cc1cn(-c2c(F)cccc2F)nc1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 469416938 XARATFAWXHPEKE-UHFFFAOYSA-N 442.422 4.051 5 20 IIBD CCc1ccc(C(=O)Nc2nc(-c3ccccc3)c(CC(=O)OC)s2)cc1[N+](=O)[O-] 471257179 FZRXWAQVMRWRBM-UHFFFAOYSA-N 425.466 4.249 5 20 IIBD O=C(NCCCCc1nc(-c2cccnc2)cs1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 473912092 MGKHQINVWPIHKM-UHFFFAOYSA-N 448.508 4.052 5 20 IIBD COc1c(C(=O)N[C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cccc1[N+](=O)[O-] 475026975 DELVRLSAFMYOEB-CQSZACIVSA-N 437.427 4.486 5 20 IIBD Cc1cc(NC(=O)CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)ccc1Br 475645999 PLAPWNCJIREQOU-UHFFFAOYSA-N 435.278 4.043 5 20 IIBD CC(C)CCn1c(SCc2c([N+](=O)[O-])ncn2C)nc2sc3c(c2c1=O)CCCC3 476484777 BCACGYAXWWXYPQ-UHFFFAOYSA-N 447.586 4.317 5 20 IIBD COc1cc(C(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)cc([N+](=O)[O-])c1C 479634267 PILPJRZFBRLAND-UHFFFAOYSA-N 433.464 4.137 5 20 IIBD COc1cc(CN2CCO[C@@H](c3ccc(F)c(Br)c3)C2)c([N+](=O)[O-])cc1F 481620319 LFHRVAVUOPTCMI-GOSISDBHSA-N 443.244 4.218 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCSC[C@@H]2c2cnn(C)c2)cc1OC 484789590 MARBXVNWWMGNNE-HNAYVOBHSA-N 434.562 4.052 5 20 IIBD O=C(Nc1nc2c(Cl)cccc2s1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 486150117 AKDXQFGFLQBVII-SNVBAGLBSA-N 436.902 4.163 5 20 IIBD CSc1cccc(C(=O)N2CSC[C@@H]2C(=O)Nc2cccc(C)c2C)c1[N+](=O)[O-] 486243697 LIOIPQVOTODJMP-MRXNPFEDSA-N 431.539 4.087 5 20 IIBD Cc1nn(CC(C)C)c(C)c1CCC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 486738195 QEPDWCWUXAVHKV-UHFFFAOYSA-N 426.439 4.332 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 486745172 WWXNNGRATGEGGF-ROUUACIJSA-N 435.590 4.060 5 20 IIBD CC(C)n1c([C@H]2CCCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)C2)nc2ccccc21 487399566 CBFUVDKKTQUKBF-SFHVURJKSA-N 442.541 4.235 5 20 IIBD COC(=O)c1cc(NC(=O)C2(c3cccc(Br)c3)CC2)c(C)c([N+](=O)[O-])c1 489779267 GWNRHKDUXXTRAP-UHFFFAOYSA-N 433.258 4.123 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1[N+](=O)[O-] 493084974 ZLABKKFMXOYHHC-ZBFHGGJFSA-N 445.907 4.073 5 20 IIBD CCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 495882716 IFPWYZCUGFFQRG-INIZCTEOSA-N 445.903 4.419 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)cc2)cc1 498330740 VGRUJXVHKSJIFR-UHFFFAOYSA-N 434.452 4.133 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@@H](C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] 500690851 WIRFUYDMJLHFKF-OAHLLOKOSA-N 431.539 4.250 5 20 IIBD Cc1cc(F)ccc1N(Cc1ccco1)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 501147633 JVFLPAUXWUOSFL-UHFFFAOYSA-N 443.456 4.060 5 20 IIBD O=c1[nH]c(Cc2ccc([N+](=O)[O-])cn2)nc2cc(-c3cccc(Br)c3)sc12 502773276 IXTSUWFCULCTKV-UHFFFAOYSA-N 443.282 4.308 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O 503013692 DMNRUUPMVUTQSU-UHFFFAOYSA-N 439.493 4.355 5 20 IIBD COc1ccc(-c2nc(C)c([C@H](C)NC(=O)CNc3ccccc3[N+](=O)[O-])s2)cc1 505804703 DYLAALZGRCOQSL-ZDUSSCGKSA-N 426.498 4.325 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1ccccc1Cl)CC1CC1 506947044 COBQIUBWYXTPAF-UHFFFAOYSA-N 431.876 4.024 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F)c1cccc([N+](=O)[O-])c1 507154555 OFKPQENVQMLDEA-SNVBAGLBSA-N 445.781 4.005 5 20 IIBD CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1c(F)cccc1F 507240959 DYGKFMJLYWCZEY-UHFFFAOYSA-N 428.233 4.096 5 20 IIBD COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cc(C)c([N+](=O)[O-])cc1C 508224990 RUZLWVXERNGODC-UHFFFAOYSA-N 433.269 4.106 5 20 IIBD COc1c(F)cc(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)cc1F 509553434 CBZXLVZXPJYUAM-UHFFFAOYSA-N 448.163 4.047 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCc3c(cnn3-c3ccccc3)C2)cc1[N+](=O)[O-] 511790841 YYESKHGUYAYMAD-UHFFFAOYSA-N 441.285 4.050 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CSc2nnc3nc(C)cc(C)n23)cc1OC 513620638 STBRIYSMCQCCKN-GFCCVEGCSA-N 431.518 4.375 5 20 IIBD CC(C)[C@H]1C[C@H](CC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCO1 513710310 RCQRGPPNMZBIRI-DNVCBOLYSA-N 443.466 4.104 5 20 IIBD C[C@H]1COCCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)C1 513972416 BYUAMPVWEQPARS-KUHUBIRLSA-N 448.317 4.005 5 20 IIBD C[C@H]1CCC[C@H](C)N1C(=O)c1cc(Cl)ccc1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] 515662991 VNWAOSFAESMMJP-KBPBESRZSA-N 444.919 4.362 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 517443400 QPPMKGPVCIBXRM-MRXNPFEDSA-N 439.516 4.296 5 20 IIBD O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)Nc1ccc([N+](=O)[O-])cc1Cl 518522827 OWWQTBPVTFOMIM-UHFFFAOYSA-N 433.877 4.339 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(-c3ccc(Oc4ccccc4)nc3)no2)ccc1-n1cncn1 518866777 NSPFQLNXBGWXSC-UHFFFAOYSA-N 427.380 4.080 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N(Cc1ccccc1)CC1CCOCC1 521933166 CRBUDZQSDFJWFT-UHFFFAOYSA-N 437.540 4.267 5 20 IIBD CN(C)C(=O)c1cccc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c1 522874184 DCJVHJHLVDUBGM-UHFFFAOYSA-N 448.266 4.041 5 20 IIBD O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 523551621 YIBTYBNTPYVIEJ-HXUWFJFHSA-N 448.454 4.365 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccnc(OCc2ccccc2)c1 523978837 VFXALNQFMXCFED-UHFFFAOYSA-N 441.871 4.308 5 20 IIBD CN(C)C(=O)C[C@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c2ccc(Cl)cc21 525024775 CGTFGPRUXBAQHD-AWEZNQCLSA-N 442.903 4.045 5 20 IIBD O=C(NCCCN(Cc1ccccc1)Cc1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCO2 530888633 SAKFIWYRUWQRNS-UHFFFAOYSA-N 447.491 4.146 5 20 IIBD CCOC(=O)c1cc2cc(NC(=O)c3cc(OC)c(OC)c([N+](=O)[O-])c3)ccc2s1 533603796 GSUUJSOTZUDSES-UHFFFAOYSA-N 430.438 4.256 5 20 IIBD CN(CCC1CCN(c2ccncc2)CC1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 536471402 GNDKJJXBPLUJJW-UHFFFAOYSA-N 447.333 4.131 5 20 IIBD C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 537989543 CLIZAYGXTGNHJY-QGZVFWFLSA-N 431.558 4.447 5 20 IIBD COc1ccc(C2=NN(C(=O)CN[C@@H](C)c3cccc([N+](=O)[O-])c3)[C@@H](c3ccco3)C2)cc1 539277213 VVBCAPFDAQZTMN-KSFYIVLOSA-N 448.479 4.225 5 20 IIBD CC1CCN(c2ccc(CNC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])cn2)CC1 543255417 KSBTUJIQDGNWKJ-UHFFFAOYSA-N 434.949 4.288 5 20 IIBD COc1ccc(-c2nc(-c3nc(-c4ccc(N)c([N+](=O)[O-])c4)no3)cs2)cc1OC 545550651 RKERWHFBFQQUDM-UHFFFAOYSA-N 425.426 4.035 5 20 IIBD Cc1cc(-c2cc(-c3nc(Cc4ccc([N+](=O)[O-])cn4)no3)c3c(C)noc3n2)c(C)o1 545777888 SRXPBXHMMHOKER-UHFFFAOYSA-N 432.396 4.352 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CCC[S@@](=O)c3ccc(Br)cc3)n2)cc1 546964559 ZGDAVAGYTVUQPT-AREMUKBSSA-N 436.287 4.148 5 20 IIBD CCOCCOc1ccc(Cl)cc1NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] 551558848 JGILQMSZGYEZJI-UHFFFAOYSA-N 428.894 4.081 5 20 IIBD Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1 553830363 OHQORKLIODNYJP-PKTZIBPZSA-N 437.540 4.137 5 20 IIBD O=[N+]([O-])c1ccccc1N1CCN(c2nnc(C3CCCC3)n2Cc2cccs2)CC1 555440435 IJVBZWQVRQTTFE-UHFFFAOYSA-N 438.557 4.280 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])Nc1nccn1Cc1ccc(Br)cc1 558271165 KKFWBUNJLKUMTN-UHFFFAOYSA-N 447.314 4.333 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N[C@H]3CCO[C@@H]3c3cnn(C)c3C)c([N+](=O)[O-])c2)cc1 561306703 LAGDIMJSWAIZRR-RBBKRZOGSA-N 435.484 4.140 5 20 IIBD O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)c1c([N+](=O)[O-])cccc1C(F)(F)F 562901985 MEBIVJAMJNSTCE-UHFFFAOYSA-N 428.779 4.460 5 20 IIBD C[C@H](c1cccc([N+](=O)[O-])c1)c1nc(-c2cc(C(F)(F)F)ccc2-n2cncn2)no1 565567886 VIMJHDDTGHIJOU-LLVKDONJSA-N 430.346 4.396 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@](C)(c3ccccc3)CC2)cc1OC 573469915 JTHBZHIILMXVAY-XMMPIXPASA-N 442.512 4.213 5 20 IIBD CN(C)CCn1nccc1NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 575896225 GKJKLYAQRFNWAF-UHFFFAOYSA-N 445.932 4.410 5 20 IIBD O=C(CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)Nc1cccc(F)c1 580881281 ONTWUGUXTVWVRL-UHFFFAOYSA-N 448.248 4.485 5 20 IIBD O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 590992960 UWCGAGACTGQULL-UHFFFAOYSA-N 447.520 4.158 5 20 IIBD CC(=O)N(c1nc(Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)cs1)c1cccc(C)c1C 603504687 LGNCOOWGOAPYCU-UHFFFAOYSA-N 449.492 4.111 5 20 IIBD COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1OC 603596427 FMLQRRNFZQRBKD-GJZGRUSLSA-N 441.484 4.267 5 20 IIBD COc1cc2cc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)[nH]c2c(OC)c1OC 604346712 FPJJNVAIAQOEHY-UHFFFAOYSA-N 427.457 4.153 5 20 IIBD CCN(Cc1ccccc1)C(=O)CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 604387385 BYUCFAZMLDWREI-UHFFFAOYSA-N 432.480 4.117 5 20 IIBD COc1cc(C(=O)N(Cc2ccccn2)C(C)C)c([N+](=O)[O-])cc1OCc1cscn1 604387770 WRRXINCRDQURCD-UHFFFAOYSA-N 442.497 4.085 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)no1)c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] 608779366 DXMJLJHJSRUZKL-UHFFFAOYSA-N 438.459 4.350 5 20 IIBD Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1OCC(F)F 608849467 AERNCLMPOMVVNM-SFHVURJKSA-N 447.438 4.099 5 20 IIBD CCOCCCn1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])nc2ccccc21 609063052 UHNAJIIBKXOISK-AWEZNQCLSA-N 446.891 4.431 5 20 IIBD Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 609077399 RAVWYRDLFQJIHT-QGZVFWFLSA-N 433.464 4.412 5 20 IIBD COC(=O)CC[C@@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)c1ccccc1 609263751 HBKXNOSQJYKSLN-HXUWFJFHSA-N 439.512 4.255 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NC(C)(C)C(=O)Nc3ccccc3)cc2[N+](=O)[O-])C1 609376351 LLSVJQBOBGBHEI-CALCHBBNSA-N 438.528 4.224 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]1c1ccc2c(c1)OCCO2 609729829 UZRRRJVDERNQPS-MRXNPFEDSA-N 432.860 4.152 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1 610032248 GTDVWWHECJCYTR-UHFFFAOYSA-N 445.259 4.086 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3ccc(N4CCCCC4)nc3)no2)c(Br)c1 610106673 XNQUYORZBZIOPK-UHFFFAOYSA-N 430.262 4.460 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC[C@H]1CCO[C@@H]1c1ccccc1 610184503 MGMFRYXXZBXZCI-FOIQADDNSA-N 437.418 4.310 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 610614307 LMLAQAKRDQEKQD-UJNFCWOMSA-N 433.736 4.248 5 20 IIBD O=C(NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 610879077 QODAAVAQBVAFKW-KRWDZBQOSA-N 428.920 4.449 5 20 IIBD CCN1CCN(C(=O)Cc2ccc(NCc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)CC1 610911581 CWPKGLMGWFMSRV-UHFFFAOYSA-N 448.523 4.174 5 20 IIBD CCCCN1C(=O)CC[C@@H](C(=O)N(C)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(OC)cc1 611090730 IBWZOSICFWEPLO-GGAORHGYSA-N 439.512 4.346 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)NCC1(CO)CCC1 612372255 LUULUWRMKMJKPV-UHFFFAOYSA-N 437.855 4.141 5 20 IIBD O=C(NCCOC[C@H]1CCOC1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 613441306 KISIGDPXJVPXPP-AWEZNQCLSA-N 436.917 4.182 5 20 IIBD O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CCCCc2sccc21 619557980 VCHQINPLYARBJZ-UHFFFAOYSA-N 428.251 4.244 5 20 IIBD CCOc1cc(NC(=O)COc2ccccc2C(F)(F)F)c([N+](=O)[O-])cc1OCC 619562095 XOZIKOPRJJQKJU-UHFFFAOYSA-N 428.363 4.429 5 20 IIBD C[C@H](NC(=O)NCc1ccc(CCNC(=O)OC(C)(C)C)cc1)c1cccc([N+](=O)[O-])c1 725874480 INJUSUUBHPXTDI-INIZCTEOSA-N 442.516 4.222 5 20 IIBD COc1ccc(NC(=O)[C@H](OC(=O)c2ccc([N+](=O)[O-])c(OC)c2)c2ccccc2)cc1 725947755 MFGAFZWVGJEVNC-OAQYLSRUSA-N 436.420 4.149 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c2nonc12 726594879 OLXVFGBIKXCKMC-LBPRGKRZSA-N 426.820 4.218 5 20 IIBD O=C(COC(=O)[C@H](OC1CCCC1)c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 727017985 PYHZOFGJPQKSNR-HXUWFJFHSA-N 432.860 4.430 5 20 IIBD CCN(CC)C(=O)c1ccc(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 729123108 UTOOXRLVGFZBTC-AWEZNQCLSA-N 438.440 4.045 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)C(C)(C)c1ccc(OCC(C)C)cc1 730878570 SKXAOEPVYYKPHW-UHFFFAOYSA-N 428.485 4.398 5 20 IIBD O=C(OCCOc1ccc2ccccc2c1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 733558060 QXSFILYLGXMXKV-GOSISDBHSA-N 440.477 4.036 5 20 IIBD COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1cccc([N+](=O)[O-])c1C 734921400 CENCBRQTNBBODY-IBGZPJMESA-N 430.457 4.221 5 20 IIBD Cc1cc(Cl)ccc1NC(=O)COC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 735148019 PZHSNKWVCNEUOT-UHFFFAOYSA-N 427.240 4.161 5 20 IIBD COc1cc2cc(C(=O)O[C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)[nH]c2cc1OC 735726883 CULIAPGBOYWXHU-NSHDSACASA-N 438.396 4.061 5 20 IIBD CC(C)(C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccc([N+](=O)[O-])cc1 739552691 UUHBKBONJXMUJC-UHFFFAOYSA-N 429.432 4.312 5 20 IIBD CC1(C)CCCN(C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 741642105 VKMCKFPOJBJBEQ-UHFFFAOYSA-N 432.498 4.015 5 20 IIBD O=[N+]([O-])c1cnn(CCSc2nnc(Nc3ccc(SC(F)F)cc3)s2)c1 741737163 REIQZFZGTRJCKA-UHFFFAOYSA-N 430.487 4.493 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1nc(CCc2ccccc2)no1 744637106 LNCUHVZAIZBHKO-UHFFFAOYSA-N 439.471 4.066 5 20 IIBD CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 745500927 QCAUZPVTJPMGKA-UHFFFAOYSA-N 442.403 4.126 5 20 IIBD CCOC(=O)c1cc(C(=O)OCc2cccc(NC(=O)c3ccccc3)c2)cc([N+](=O)[O-])c1 750430834 XCISJJMMSVNBAM-UHFFFAOYSA-N 448.431 4.381 5 20 IIBD COc1ccc(C(=O)Nc2ccccc2C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)cc1 751635244 LIOYYKRZOJDDFM-UHFFFAOYSA-N 447.403 4.354 5 20 IIBD CCOCCC1(CNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 752187882 FHTPTSQGZTUXAK-UHFFFAOYSA-N 445.903 4.437 5 20 IIBD COc1ccc(-c2nc(COC(=O)c3c(F)ccc([N+](=O)[O-])c3F)cs2)cc1OC 752560176 VDYSPGFFBGDGHR-UHFFFAOYSA-N 436.392 4.371 5 20 IIBD CC[C@H](C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1cccc(C(F)(F)F)c1 752579661 KNZVCVZYBIFRIP-HNNXBMFYSA-N 440.374 4.298 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1cc([N+](=O)[O-])ccc1OC(F)F 755203625 MNYOVKBJMZHOOF-UHFFFAOYSA-N 446.160 4.048 5 20 IIBD CC[C@H]1CN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC[C@H]1NC(=O)OC(C)(C)C 757044504 YYEZPHCNHTYLBG-SUMWQHHRSA-N 440.928 4.083 5 20 IIBD Cc1ccc(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c(OC[C@@H]2CCCO2)c1 757728596 GPKDXQQBNZXCHK-SFHVURJKSA-N 433.892 4.114 5 20 IIBD O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)N1CCC[C@H]1c1cccs1 757745321 WAEVTVFHLZRBBI-NSHDSACASA-N 435.296 4.084 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccccc1 757916286 SQZGFJDPCPLQDA-OAHLLOKOSA-N 435.274 4.170 5 20 IIBD O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 759796084 LSCQFHJMQSJGLB-FQEVSTJZSA-N 428.404 4.178 5 20 IIBD CC[C@H](C)n1ncc2c(C(=O)O[C@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)cc(C)nc21 759936717 GPBCBSLLMUNUQL-WBAXXEDZSA-N 426.477 4.156 5 20 IIBD N=C(NOCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(Oc2ccccc2)nc1 760349540 BPAKEHDSUSHFJT-UHFFFAOYSA-N 431.408 4.484 5 20 IIBD CCOc1ccc([C@@H]2CCCN2C(=O)COC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 763409441 ZXYWTTACNDLVOC-KKSFZXQISA-N 426.469 4.004 5 20 IIBD COC(=O)c1ccc(OC(=O)CCSc2ncnc3sc(C)c(C)c23)cc1[N+](=O)[O-] 764862005 OHHPIQFOXUUCAH-UHFFFAOYSA-N 447.494 4.091 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 765033868 RIMIZWPZADWSSL-UHOSZYNNSA-N 433.549 4.315 5 20 IIBD CC(C)Nc1cccc(F)c1NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 765646455 FBZPAVCQDGGAHN-UHFFFAOYSA-N 432.271 4.118 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccccc2OC(F)(F)F)c(C(F)(F)F)c1 767250456 VKJVAARJOCVIJJ-UHFFFAOYSA-N 431.266 4.280 5 20 IIBD Cn1cc(CN(Cc2ccccc2)C[C@H](O)c2ccco2)c(-c2ccc([N+](=O)[O-])cc2)n1 769539434 KCVDNCOKIUAQJY-QFIPXVFZSA-N 432.480 4.324 5 20 IIBD O=C(OCCOc1ccc(Cl)cc1Cl)c1cc(Br)ncc1[N+](=O)[O-] 769838738 KXYZKMJIDMIFGA-UHFFFAOYSA-N 436.045 4.295 5 20 IIBD Cc1noc(-c2ccccc2)c1NC(=O)c1ccc(I)c([N+](=O)[O-])c1 770012852 REYRTBLEVIEQMV-UHFFFAOYSA-N 449.204 4.415 5 20 IIBD CN(CCC1CCN(c2ccncc2)CC1)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 770799510 METKTEFKLJYDIM-UHFFFAOYSA-N 447.333 4.131 5 20 IIBD COC(=O)Nc1ccc(CCNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 771767070 JADWWTUGRGHVJD-UHFFFAOYSA-N 426.351 4.156 5 20 IIBD O=C(O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])[C@H]1CCCN(C(=O)c2ccccc2)C1 776137023 MBEAYSRGOLNFRG-NZQKXSOJSA-N 445.475 4.175 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccccc1[C@H](O)C(F)(F)F 777835561 SPZLIKCGYVDQAN-QFIPXVFZSA-N 426.394 4.389 5 20 IIBD Cc1ccsc1C(=O)Nc1ccc(OS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)cc1 779892053 SAHWXUVIXZUSKO-UHFFFAOYSA-N 446.506 4.168 5 20 IIBD C[C@H](C[C@@H](O)c1cccs1)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 780959730 KTIFLBDYRGQCCX-ADLMAVQZSA-N 428.460 4.263 5 20 IIBD CN(C(=O)OC(C)(C)C)c1ccc(OC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cc1 781686833 YGZPJIJJVMVLEO-LJQANCHMSA-N 441.440 4.065 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCC(=O)c1ccc(Cl)cc1Cl 781736361 MYNBUXVVJVWPCM-UHFFFAOYSA-N 427.196 4.169 5 20 IIBD O=C(Oc1cc([N+](=O)[O-])ccc1I)[C@@H]1CCC[C@@H](C(F)(F)F)C1 781745181 SOQMZIDGJQBXIQ-RKDXNWHRSA-N 443.159 4.474 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 783105925 WZAOCOFFYIBPLO-UHFFFAOYSA-N 434.836 4.172 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(COc3c(C(F)(F)F)ccnc3Br)n2)cc1 791427802 PUJPKYBNQRFCHE-UHFFFAOYSA-N 445.151 4.400 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(N[C@@H](c3cncc(Br)c3)C3CC3)CC2)cc1 793568001 NELCCUAWEAPIIU-HXUWFJFHSA-N 431.334 4.462 5 20 IIBD COc1ccc(F)c2[nH]c(C(=O)O[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cc12 796199145 DIXZJHPTDRVSQI-SNVBAGLBSA-N 426.360 4.192 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)C(C)(C)c1ccccc1Br 798730213 HGOBBIPATSWMAO-UHFFFAOYSA-N 435.274 4.125 5 20 IIBD CC(C)(C)OC(=O)NC[C@@]1(C)CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 801037015 NRZWBFZCDWTXJX-LJQANCHMSA-N 443.953 4.104 5 20 IIBD COc1cc(OC)cc(C2(F)CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC2)c1 801966016 IAKGSRQURAKUKM-UHFFFAOYSA-N 449.454 4.041 5 20 IIBD COCCC[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)c1ccc(Cl)cc1 804127707 PNRDCENIPQGIFT-HNNXBMFYSA-N 437.899 4.394 5 20 IIBD CC(=O)c1oc2cc(C)ccc2c1CC(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 805664951 UKKJUGAJSKTAAB-UHFFFAOYSA-N 425.393 4.004 5 20 IIBD CC[C@@H](c1cccc(OC)c1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 808324494 KFDYZFSVYQLAQB-INIZCTEOSA-N 443.319 4.138 5 20 IIBD C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810399829 WSXSBUCHCSCCPD-XIKOKIGWSA-N 446.301 4.126 5 20 IIBD COc1ccccc1[C@H](C)NC(=O)[C@@H](C)OC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811375249 WVKOIOWJRBHGOD-WDEREUQCSA-N 441.267 4.333 5 20 IIBD C[C@@](O)(C(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CCC1 812680560 ZIHHHDXHKFYIHA-RXVVDRJESA-N 432.860 4.022 5 20 IIBD CN1C(=O)C[C@@H](c2nc(CCC(C)(C)[N+](=O)[O-])no2)[C@H]1c1ccc(Cl)c(Cl)c1 812815663 UVIYEANNJWXTRN-BDJLRTHQSA-N 427.288 4.051 5 20 IIBD COc1cccc(-c2noc([C@@H](C)NC(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])n2)c1 813031033 WQHKJJUIBDYTME-SECBINFHSA-N 437.239 4.451 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])C[C@H]21 814123733 VWEACMOALCPVLC-LZLYRXPVSA-N 431.533 4.024 5 20 IIBD O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)C1(Cc2ccc(F)cc2)CCOCC1 815953916 KOGNUDRELTWRQV-UHFFFAOYSA-N 440.427 4.472 5 20 IIBD O=C(OCc1ccc(F)cc1Br)C1CCN(c2ccccc2[N+](=O)[O-])CC1 823591343 PZXQGGZCBSYRAY-UHFFFAOYSA-N 437.265 4.456 5 20 IIBD COc1ccc(CN(C)C(=O)[C@H](OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C(C)C)cc1 877029754 MMEDZRFJBKPCOP-LJQANCHMSA-N 434.876 4.097 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(F)cc1 900678058 UUGWTCCKKNDAMB-UHFFFAOYSA-N 436.395 4.069 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CSCC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C 915829597 WOHFVBSUMGBZBJ-UHFFFAOYSA-N 446.485 4.047 5 20 IIBD O=[N+]([O-])c1cccc(-c2nccc(/C=C\c3cnn(Cc4ccccc4Cl)c3)[n+]2[O-])c1 915988398 VMTFNLMZJDDITJ-HJWRWDBZSA-N 433.855 4.359 5 20 IIBD C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 917306389 OILYRICDIJUUCD-JTQLQIEISA-N 438.223 4.462 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cc2c(C)cc(C)nc2s1 917351129 SLHGXDRJLNSGTH-GFCCVEGCSA-N 429.454 4.014 5 20 IIBD CCCOc1c(Cl)cc(C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1OC 918827071 QSQAOSQUAFDCSA-UHFFFAOYSA-N 447.831 4.453 5 20 IIBD NC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 927348804 JOFNUVNWEPEJGZ-UHFFFAOYSA-N 436.493 4.275 5 20 IIBD CCS(=O)(=O)c1cccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 1116829835 NNXZJFNZMQXCNY-UHFFFAOYSA-N 440.477 4.220 5 20 IIBD O=[N+]([O-])c1ccc(-n2cc(-c3nnc(-c4ccc(F)cc4Br)o3)cn2)cc1 1117254000 ZPWZXEGKNJBRQP-UHFFFAOYSA-N 430.193 4.399 5 20 IIBD CCCCOc1ccc(-c2nnc(-c3cc(C(=O)OC)cc([N+](=O)[O-])c3)o2)cc1OC 1328292204 OEZCDGBUPJTLGC-UHFFFAOYSA-N 427.413 4.286 5 20 IIBD C[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C2)c1ccccc1 1801756144 RYGUWSYIYNHESZ-YRRCWQSASA-N 447.535 4.440 5 20 IIBD O=C(Cc1ccc(Cl)cc1[N+](=O)[O-])Nc1cc([C@H]2CCCCN2C(=O)CC2CC2)[nH]n1 1814844871 QARGTPCVIMWVGJ-QGZVFWFLSA-N 445.907 4.006 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccs2)[nH]n1)c1cccc(F)c1[N+](=O)[O-] 1821170141 OSSOZEDXKAQQFQ-HNNXBMFYSA-N 443.460 4.138 5 20 IIBD CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)CCCC1 1823677057 OTYOHTAIBYODFN-JOCHJYFZSA-N 441.572 4.337 5 20 IIBD CC1(C)CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC2)C1 1831930998 LXOUJFDFXHADQD-NRFANRHFSA-N 445.535 4.403 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)Cc2coc3cc(C)c(C)cc23)c([N+](=O)[O-])c1 9436676 JNYARMJMYVWYOM-UHFFFAOYSA-N 426.425 4.081 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc2c(s1)-c1ccccc1CC2 9814997 MYIDQANYQANKSR-UHFFFAOYSA-N 438.461 4.226 5 20 IIBD O=C(COC(=O)CCc1ncc(-c2ccccc2Cl)o1)Nc1ccc(F)c([N+](=O)[O-])c1 12252007 JIYVTLUSMKUSAI-UHFFFAOYSA-N 447.806 4.157 5 20 IIBD O=C(COC(=O)CCc1ncc(-c2ccccc2Cl)o1)Nc1cc([N+](=O)[O-])ccc1F 12252356 JRFFWXIBRDABPL-UHFFFAOYSA-N 447.806 4.157 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccc(-c2ccccc2)cc1 15206791 JLOURPQFFFMMAK-UHFFFAOYSA-N 440.477 4.075 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(N2CCCC2=O)cc1 16497660 SPLVQCVDPSGSAS-UHFFFAOYSA-N 436.390 4.181 5 20 IIBD C[C@@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 17893251 QDQGXBSHFROWEI-LLVKDONJSA-N 444.904 4.356 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)N(Cc1ccccc1)Cc1ccccc1 19284901 QHVHZWGIYGRXRZ-GOSISDBHSA-N 448.475 4.378 5 20 IIBD CN1C(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)cc2C1=O 24020585 NUTFXUZAEMAJOE-UHFFFAOYSA-N 433.445 4.224 5 20 IIBD CCc1ccccc1NC(=O)CNC(=O)COC(=O)c1c2ccccc2cc2ccccc12 26908821 FFDKLSCQZVSUNX-UHFFFAOYSA-N 440.499 4.467 5 20 IIBD CC(=O)Nc1cc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)ccc1F 45872331 PQPQLSAMJZEQHE-KBPBESRZSA-N 428.464 4.427 5 20 IIBD COc1cc(C(=O)Nc2cc(-c3ccoc3)nn2-c2ccccc2)c([N+](=O)[O-])cc1OC 65065730 PPFQZYCMNOJBNE-UHFFFAOYSA-N 434.408 4.310 5 20 IIBD O=C(NCC1CCN(Cc2cccs2)CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 65129379 JKFCRAFFCLABNR-UHFFFAOYSA-N 442.566 4.422 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCc1ccc(Oc2cccc(F)c2)nc1 109841496 LTRGYQLAMAYPPS-UHFFFAOYSA-N 437.836 4.053 5 20 IIBD CC(C)N(C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C1CCCC1 110954205 DFPPODPKGQRJLH-UHFFFAOYSA-N 432.498 4.156 5 20 IIBD Cc1cc(C)n(-c2ccc(CNc3ccc(I)cc3[N+](=O)[O-])cn2)n1 301091059 LAYSAJIKPMFSHJ-UHFFFAOYSA-N 449.252 4.009 5 20 IIBD C[C@H]1C[C@@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CCN1Cc1ccccc1 301529487 JFSXLNKHZAVTJK-HOCLYGCPSA-N 439.484 4.056 5 20 IIBD CN1CC[C@@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 301860080 FIHQGQXYSQSSDC-YCRPNKLZSA-N 446.910 4.384 5 20 IIBD COc1cc(C(=O)Nc2ccc(=O)n(C)c2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 409568673 TVNDIBHZKGEHOE-UHFFFAOYSA-N 429.816 4.000 5 20 IIBD CN(C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 426966527 YSKMUBQDOQOBPD-IBGZPJMESA-N 431.855 4.015 5 20 IIBD COC(=O)[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(OC(F)F)cc1 428053919 GDHXKAIAVGWHQO-LJQANCHMSA-N 432.379 4.460 5 20 IIBD O=[N+]([O-])c1ccc(N[C@H]2CCN([C@H](c3ccccc3)c3nc(-c4ccccc4)no3)C2)nc1 430026713 QSTKBYLABXCSMP-SIKLNZKXSA-N 442.479 4.316 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3ccc(C[C@H](C)C(=O)O)cc3)cc2[N+](=O)[O-])CC1 431990539 BNSIJUWEYJIBEB-INIZCTEOSA-N 425.485 4.347 5 20 IIBD O=c1c(Cl)c(Oc2cc(F)cc([N+](=O)[O-])c2)cnn1-c1ccc(C(F)(F)F)cn1 433436622 WYQDTHNJRQXCSF-UHFFFAOYSA-N 430.701 4.139 5 20 IIBD CC(C)c1[nH]nc(C(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)c1[N+](=O)[O-] 433854637 XTDMPCTYKJNTBI-UHFFFAOYSA-N 425.420 4.014 5 20 IIBD CC[C@H](C)[C@H](NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-])C(F)(F)F 436168649 FMMJPXRNYWMFIH-QFYYESIMSA-N 447.435 4.346 5 20 IIBD O=C(Nc1cccc(COCc2ccco2)c1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 437033302 FSMMFONRJNIPBK-UHFFFAOYSA-N 449.463 4.034 5 20 IIBD C[C@@H]1CN(Cc2ccccc2NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@@H](C)O1 437385054 MIOMOHHZNZOBTG-QZTJIDSGSA-N 438.528 4.401 5 20 IIBD Cc1ccc([C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@H](C)S(C)(=O)=O)cc1 437839272 MGSNFLCUQIBCMX-DJJJIMSYSA-N 432.523 4.022 5 20 IIBD Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 437910232 VKYFRZAOOGHOHY-UHFFFAOYSA-N 435.278 4.320 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NC3CCN(c4cc(C)[nH]n4)CC3)c([N+](=O)[O-])c2)cc1 438893449 IYAKIJSDFZFSMA-UHFFFAOYSA-N 434.500 4.268 5 20 IIBD O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC(c2ccccc2Br)CC1 439017637 IAFICLQAAHPYND-UHFFFAOYSA-N 447.285 4.148 5 20 IIBD CCOc1cc(NC(=O)N2CCc3ccc(OC)cc3CC2)c([N+](=O)[O-])cc1OCC 439226778 WKSOHVQSAYOTFS-UHFFFAOYSA-N 429.473 4.034 5 20 IIBD C[C@H](NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])C(=O)N1Cc2ccccc2C1 440882429 QWZWVQMIPAQGJN-INIZCTEOSA-N 447.516 4.407 5 20 IIBD CN(C)c1cccc([C@@H]2CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1 446275846 JBWZONPKPRYGLW-IBGZPJMESA-N 432.318 4.330 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2cc(F)cc(F)c2)nn1C 446976992 KJGOUYLLYUZZSX-UHFFFAOYSA-N 448.451 4.264 5 20 IIBD C[C@@H]1[C@H](Cc2ccccc2)CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 461642085 SYOKYKCBQKZXCC-GIVPXCGWSA-N 447.539 4.347 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c2ncccc12 463690754 SUUCRAZRDPQCLQ-UHFFFAOYSA-N 434.477 4.102 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)ccc2OC(C)C)cc1OC 464672962 NMZOJCXHGVSVNZ-UHFFFAOYSA-N 438.864 4.322 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C[C@H]1C[C@H]2C=C[C@H]1C2)C1CCN(C)CC1 464696496 ZRAFTPLWAGMNJW-LNRXMEIDSA-N 425.573 4.299 5 20 IIBD C[C@@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1nc(C2CCCCC2)no1 464716323 YHHSXZQARFRGSJ-LLVKDONJSA-N 442.394 4.458 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(C[C@@H](O)COc3ccc(Cl)cc3Cl)CC2)cc1 464778220 SAQOVUYTSZYVEC-MRXNPFEDSA-N 441.311 4.185 5 20 IIBD COc1cc(C(=O)N2C[C@@H]3[C@H]4CC[C@@H](O4)[C@H]3C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 465311682 BDQMDFYFJQYNQT-CWLKWCNXSA-N 444.871 4.299 5 20 IIBD Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 466796560 QDOKHUGIYKSHOI-UHFFFAOYSA-N 435.665 4.757 5 20 IIBD O=C(Nc1cccc(N2CCC2=O)c1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 468713428 IFJCVRNFSZRHRX-UHFFFAOYSA-N 446.250 4.076 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(Oc2ccncc2)c(Cl)c1 468853157 FILRKMNJPVBMHL-INIZCTEOSA-N 444.879 4.307 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCCC[C@H]1c1cccc(C(F)(F)F)c1 470198323 QNFIBQICDYLOFE-INIZCTEOSA-N 449.385 4.275 5 20 IIBD Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC2)cc1 473503064 FSYXBGYPWOZRBC-UHFFFAOYSA-N 437.540 4.369 5 20 IIBD COc1ccccc1NC(=O)C1CCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 475559160 NQEQDXSMIPXDFF-UHFFFAOYSA-N 426.473 4.103 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1cc(F)cc(NCC(F)(F)F)c1 475784673 CRPCTZWEPIEMDC-UHFFFAOYSA-N 427.763 4.162 5 20 IIBD COc1cc(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cc([N+](=O)[O-])c1C 478342043 FMHVMUPEXHTMCQ-LLVKDONJSA-N 429.420 4.407 5 20 IIBD CCc1nc(NC(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)n[nH]1 479080763 NYWSHDMMALBHRJ-KAMYIIQDSA-N 434.481 4.454 5 20 IIBD CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 479324410 XYAWMPHDOGMVHB-MRXNPFEDSA-N 448.545 4.114 5 20 IIBD O=C(NCc1cccc(COCc2ccccc2)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 480246596 FCKXUEPDOINALS-UHFFFAOYSA-N 434.448 4.013 5 20 IIBD COc1ccc(-c2nc(C)c(C(=O)NCc3cccc([N+](=O)[O-])c3C)s2)cc1OC 481469734 ZKSVLAIZRDTHGS-UHFFFAOYSA-N 427.482 4.282 5 20 IIBD CCOc1cc(N2CCN(Cc3ncc(-c4ccccc4F)o3)CC2)ccc1[N+](=O)[O-] 481775233 FHXOHLWTQCTKML-UHFFFAOYSA-N 426.448 4.110 5 20 IIBD Cc1c(CNC(=O)C(=O)Nc2ccccc2-c2c(F)cccc2F)cccc1[N+](=O)[O-] 483816999 DZDJMQAATSCXST-UHFFFAOYSA-N 425.391 4.103 5 20 IIBD O=C(NCc1cc(Oc2ccc(F)cc2)ccn1)c1cc([N+](=O)[O-])ccc1OC(F)F 485683472 QAVXZMIYVCMUMR-UHFFFAOYSA-N 433.342 4.453 5 20 IIBD O=C(O)COc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c2ccccc12 486057805 ZUFAAEZBHBJOKW-UHFFFAOYSA-N 435.436 4.064 5 20 IIBD O=C(NC[C@H]1SCCc2ccccc21)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 487827467 AFUQVMSZOGBGSG-QGZVFWFLSA-N 426.416 4.296 5 20 IIBD CC(C)(NC(=O)NCc1ccc(N2CCc3ccccc3C2)nc1)c1ccccc1[N+](=O)[O-] 487854837 SQZKCNGFXGHVNH-UHFFFAOYSA-N 445.523 4.287 5 20 IIBD O=C(Nc1nc2cc3c(cc2s1)OCCCO3)c1cc([N+](=O)[O-])ccc1OC(F)F 489420700 ZNTNPTYMLTTWLV-UHFFFAOYSA-N 437.380 4.220 5 20 IIBD Nc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1 500659900 ZEIVKULYJOAWIE-UHFFFAOYSA-N 446.250 4.383 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 500823101 RBZQBRDEJZTIIQ-UHFFFAOYSA-N 428.432 4.151 5 20 IIBD Cc1ccc(Br)cc1NC(=O)CCNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 501122404 QWWLHEDNGALALD-UHFFFAOYSA-N 435.278 4.124 5 20 IIBD COc1cc(CSc2n[nH]c(-c3ccccc3F)n2)c([N+](=O)[O-])cc1OCC(F)F 502871542 PVXPAXCJTBLFGO-UHFFFAOYSA-N 440.403 4.464 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 503418053 ILSBRXQFEHPCEC-GOSISDBHSA-N 441.553 4.060 5 20 IIBD COc1cc(C(=O)N[C@@H](c2ccccc2)c2nccs2)c([N+](=O)[O-])cc1OC(F)F 505088488 ZMRBLYNQAXRJTE-INIZCTEOSA-N 435.408 4.181 5 20 IIBD Cc1ccc(-c2nc(NC(=O)[C@@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)sc2C)s1 505381939 IQRBTGDWSCSFTL-LLVKDONJSA-N 430.511 4.154 5 20 IIBD CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 505704109 AIKQWKIQKOBXQP-UHFFFAOYSA-N 436.468 4.274 5 20 IIBD CCOc1cc(NC(=O)N2CCC(n3cc(Cl)cn3)CC2)c([N+](=O)[O-])cc1OCC 506271615 QPDAPPPWQXSRPB-UHFFFAOYSA-N 437.884 4.111 5 20 IIBD CCCCN(C)CC1CCN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CC1 509701791 VXEAYKUKHYJPMS-UHFFFAOYSA-N 426.355 4.250 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(C)(c2nc3ccccc3s2)CC1 511094072 RZMWOOQKAMONAN-UHFFFAOYSA-N 440.525 4.205 5 20 IIBD Cc1c(NC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)cccc1[N+](=O)[O-] 513082771 LBIKFDJRZYKMHQ-AWEZNQCLSA-N 433.306 4.314 5 20 IIBD O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1F 515788734 CEJPVMROLOYKFU-MRXNPFEDSA-N 426.231 4.284 5 20 IIBD Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 517559042 PJGPSEUBUVNORZ-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD O=C(Nc1ccc(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cc1)c1cccs1 518357692 YVRGKWONDICCEZ-UHFFFAOYSA-N 434.433 4.415 5 20 IIBD CCOC(=O)c1cc(C(=O)NCCOc2ccccc2-c2ccccc2)cc([N+](=O)[O-])c1 520589390 FHCQMWZPVHLBSY-UHFFFAOYSA-N 434.448 4.247 5 20 IIBD CC1CCN([C@H](C)CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 520857753 SHCOYOHZMJHOMZ-QZTJIDSGSA-N 425.533 4.013 5 20 IIBD Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)s2)cc1 521706604 ZAMFCKFJBGTNMA-AWEZNQCLSA-N 438.509 4.459 5 20 IIBD CCc1ccc(OCC(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)c([N+](=O)[O-])c1 522330964 GYRWXGHOHVYORE-UHFFFAOYSA-N 425.363 4.152 5 20 IIBD COc1ccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1[N+](=O)[O-] 523239852 GELXOIAHIWFOMI-HNNXBMFYSA-N 442.859 4.327 5 20 IIBD O=C(NCC(=O)N1CCc2ccccc21)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 523873153 INVAHYMKXAYDTB-UHFFFAOYSA-N 433.489 4.065 5 20 IIBD O=C(CCCCc1ccc(I)cc1)NCc1ccccc1[N+](=O)[O-] 524318072 RIZHVRHQEYJDRE-UHFFFAOYSA-N 438.265 4.229 5 20 IIBD O=C1C[C@H](Cc2ccc(NCc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)cc2)C(=O)N1 532894885 ODODBWFWPPVGBK-KRWDZBQOSA-N 449.438 4.344 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C2CCCCC2)nn1C 534226529 NQJVLVFAJUKPIK-UHFFFAOYSA-N 446.529 4.284 5 20 IIBD O=C(NCCC(=O)N1CCc2ccccc2[C@H]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 536431590 TYJMJBCBTXOXHW-XMMPIXPASA-N 443.503 4.083 5 20 IIBD CCOc1cc(CN2CCCC[C@@H](SC)C2)ccc1OCCn1c([N+](=O)[O-])cnc1C 537693525 VZIBDFROZCJJPN-LJQANCHMSA-N 448.589 4.295 5 20 IIBD COCCn1ccc2ccc(NS(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])cc21 537741284 OIVJVBUYEXODNL-UHFFFAOYSA-N 444.296 4.304 5 20 IIBD COC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 539004599 GXUASZZPLHYSMY-DLYSWHJUSA-N 440.500 4.015 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2ccc(Oc3cccc(F)c3)nc2)c1 539518847 LPOXVGAEUPZADG-UHFFFAOYSA-N 425.416 4.315 5 20 IIBD O=C1[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCCN1CC(F)(F)F 540622793 WUEDKPXNSZBDNF-OAHLLOKOSA-N 431.798 4.151 5 20 IIBD Cc1ccc(-c2nn(C[C@H](O)COc3ccccc3[N+](=O)[O-])c(=O)c3ccccc23)cc1C 541262008 RRTPTPJUXNLCLH-IBGZPJMESA-N 445.475 4.028 5 20 IIBD COc1cccc(-c2nc(Cn3cc([N+](=O)[O-])c(C)c(Br)c3=O)cs2)c1 541289441 PITFSUXBGKJGFF-UHFFFAOYSA-N 436.287 4.008 5 20 IIBD Cc1cc(=O)c(-c2nc(Cc3ccc(C(C)C)cc3)no2)nn1-c1ccccc1[N+](=O)[O-] 544971086 KKNYSQSDRQUESY-UHFFFAOYSA-N 431.452 4.213 5 20 IIBD CC(C)OC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CCO1 548438725 IZGGWOBBMUEFIX-SFHVURJKSA-N 447.919 4.126 5 20 IIBD Cc1cc(NC(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)ccc1-c1ccncc1 550435799 LGRIFTSXYDTGDT-UHFFFAOYSA-N 432.480 4.043 5 20 IIBD COc1nc2ccc(NC(=O)c3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])cc2s1 552548098 GMTNOTBOZQOVLD-UHFFFAOYSA-N 425.369 4.075 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccc3ccn(C)c(=O)c3c2)cc1[N+](=O)[O-])c1ccccn1 552805662 NBUYWFFRUQPTDS-HNNXBMFYSA-N 443.463 4.267 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N(C(C)=O)[C@H]2C[C@H]2C)cc1 554659714 HJQPUOAGTHCHAU-VLIAUNLRSA-N 443.525 4.347 5 20 IIBD CCO[C@@H]1C[C@H](NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)[C@@]12CCCO2 555007595 BVOYEHYBDJJJGF-VWPQPMDRSA-N 427.457 4.235 5 20 IIBD Cc1c(Cl)cccc1N1CCCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 556531490 ZUCZSIHGWPJBCK-UHFFFAOYSA-N 427.892 4.319 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 557221556 POQLIHJWDCCYQH-LBPRGKRZSA-N 442.463 4.479 5 20 IIBD CC[C@@H]1CCCC[C@H]1c1noc([C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 560048347 HBQNEYQTVMYVPA-OLMNPRSZSA-N 434.518 4.187 5 20 IIBD C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N(C)CCc1ccccc1[N+](=O)[O-] 560720134 IPEPCJAMXSYBNL-CQSZACIVSA-N 433.302 4.267 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccnc(-c4cncs4)n3)cc2[N+](=O)[O-])C1 561787174 KEOGULKCZITCTN-KBPBESRZSA-N 438.513 4.243 5 20 IIBD C[C@H](C(=O)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 562397741 YULJBHMYYOKZOX-LIRRHRJNSA-N 449.429 4.197 5 20 IIBD CCOc1cc(C(=O)N(C)c2ccc([N+](=O)[O-])nc2)ccc1OCCOc1ccccc1 564156418 JTUGABNONWWYGT-UHFFFAOYSA-N 437.452 4.123 5 20 IIBD CNC(=O)c1ccc(NCc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])cc1Cl 569795028 ARJQJUZVWJDNSJ-UHFFFAOYSA-N 447.797 4.170 5 20 IIBD O=C(NCc1ncn(-c2ccccc2)n1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 570755285 PTNXXLIAVINMJA-UHFFFAOYSA-N 431.477 4.257 5 20 IIBD O=C([C@H]1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1)N1CCCC1 572530655 JCPBBYNZOLKLOU-KRWDZBQOSA-N 429.904 4.485 5 20 IIBD C[C@H]1Oc2ccccc2[C@H]1NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 573996623 AVEFPKQIQDZQBU-XCLFUZPHSA-N 449.429 4.468 5 20 IIBD Cn1ccnc1[C@@H](NC[C@H]1CCCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 574123378 AOYGHYPEVINBHL-QPPBQGQZSA-N 433.556 4.310 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC(Oc2cncc(Cl)c2)CC1 580908248 AOEOAEOSUMZEGY-UHFFFAOYSA-N 444.900 4.450 5 20 IIBD CC1(C)C[C@@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c2ccc(F)cc2O1 582681443 SOAIUCXICDKNBK-QGZVFWFLSA-N 443.475 4.389 5 20 IIBD O=[N+]([O-])c1ccc2nc(NCCc3csc(-c4ccc(Cl)cc4)n3)nc(O)c2c1 584487321 YPBNDIWNQUGNIB-UHFFFAOYSA-N 427.873 4.675 5 20 IIBD CC(C)Oc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 585756586 TZBZYHQYVJDFAX-OAHLLOKOSA-N 427.501 4.495 5 20 IIBD Cc1cc(NC(=O)CS[C@@H](C)c2nc3ccccc3[nH]2)n(-c2ccc([N+](=O)[O-])cc2)n1 590771526 PQFFWNFIYBXJDY-AWEZNQCLSA-N 436.497 4.398 5 20 IIBD CN1CCCN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)CC1 598916150 CIVSBJPSQSWBHW-UHFFFAOYSA-N 428.539 4.133 5 20 IIBD COc1ccc(CSCC(=O)NCc2c(OC)ccc3ccccc23)cc1[N+](=O)[O-] 603567636 JXOXHBILEIVPIE-UHFFFAOYSA-N 426.494 4.315 5 20 IIBD CCCCCNC(=O)C1CCN(c2c([N+](=O)[O-])cnc3ccc(Br)cc23)CC1 603855441 RTBXETBEPYUNOC-UHFFFAOYSA-N 449.349 4.428 5 20 IIBD CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)cc2)cc1 604040642 NAQSCUAGFDFEFM-HNNXBMFYSA-N 439.493 4.260 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccc(CN2CCCCC2)cc1 604442816 AGWOSBBVBHYQTI-INIZCTEOSA-N 431.920 4.318 5 20 IIBD O=C(Nc1ccc(F)cc1)[C@H]1CCc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])s1 608872340 MRYYLFJBVYIHEY-QGZVFWFLSA-N 425.441 4.396 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCC(=O)N3CCc4ccccc4C3)c([N+](=O)[O-])c2)cc1 608973631 QHRZEHYFWJBORP-UHFFFAOYSA-N 444.491 4.152 5 20 IIBD Cc1ccc(C(=O)Nc2ccccc2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 609661591 VUDFNLGPSDPGGD-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD O=C(Nc1cnn(CC(F)(F)F)c1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 609860942 ICUZLDRVDWGJGY-UHFFFAOYSA-N 449.176 4.098 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1 609881088 VINLAXHEROXCMZ-SFHVURJKSA-N 426.860 4.381 5 20 IIBD CCCCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1OC 610040184 JCQALHFCMWICGF-UHFFFAOYSA-N 437.290 4.475 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 611150694 DSBHJZPVLBFJBO-HNNXBMFYSA-N 432.402 4.033 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(OCc2ccc(F)cc2)CC1 611261916 UZUIRFITXQUKDR-CQSZACIVSA-N 436.867 4.362 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 611529706 BGLQXPNWHWKORH-QFIPXVFZSA-N 445.479 4.092 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 725800205 CEIHUWMZTGWTIR-UHFFFAOYSA-N 446.548 4.096 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)OCc2ccc(Br)cc2)ccc1[N+](=O)[O-] 726674318 KSSHOJZXEBTIMB-SFHVURJKSA-N 447.285 4.014 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCc3cccc4c3OCCO4)cc2[N+](=O)[O-])n1 726883305 DKBAYQWLEDLJED-UHFFFAOYSA-N 443.506 4.212 5 20 IIBD O=C(NC[C@H](O)c1ccccc1C(F)(F)F)Nc1cc([N+](=O)[O-])ccc1OC(F)F 728737820 SPLMGUDYAJHTCM-ZDUSSCGKSA-N 435.305 4.070 5 20 IIBD CC[C@@H](C)[C@@H](C)N(C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C1CC1 729442821 VTPUPZWZYHHHMY-HZPDHXFCSA-N 446.525 4.402 5 20 IIBD Cc1nc(CCC(=O)O[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)oc1-c1ccccc1 730336192 SSRRFWKJJCTDJS-CQSZACIVSA-N 441.415 4.200 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 731974396 LZZXURFEWXNXRQ-CQSZACIVSA-N 435.452 4.456 5 20 IIBD O=C(Nc1cccc(Cl)c1)c1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc1 732912933 QZXAMIRPDPJYDY-UHFFFAOYSA-N 437.887 4.222 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCC(=O)c1cccc(OC(F)F)c1 738601407 CEXOTIXEOJOHRM-UHFFFAOYSA-N 437.398 4.182 5 20 IIBD CC(C)(C)OC(=O)N[C@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 741002518 RDKBJUCLCNTZPW-SFHVURJKSA-N 448.859 4.240 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)[C@H](O)CCc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 741007532 VBOHNTZTUWJESW-DHIUTWEWSA-N 448.475 4.120 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])Cn1nc(-c2ccncc2)n(CC(F)(F)F)c1=S 744129214 GZZOEDYRIMQVFU-UHFFFAOYSA-N 438.435 4.036 5 20 IIBD C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 745565647 VBYUVNHVQMJHDK-AYZOYYRMSA-N 428.407 4.100 5 20 IIBD C[C@H](C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(Br)s1 745643032 MVTDPHAGVRNSJV-VIFPVBQESA-N 428.260 4.132 5 20 IIBD C[C@H](OC(=O)[C@@H]1C[C@@]12CCc1ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 745723085 ZQGQCOODNDWABF-ODLKPZKQSA-N 448.397 4.388 5 20 IIBD Cc1nn(C)c(C)c1[C@H](OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(F)(F)F 746937106 MGZCFKQBCHJFBA-ZDUSSCGKSA-N 425.285 4.424 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1C[C@H]1c1cccc(Br)c1 747519533 FMFMRNLZEOMWFB-JKSUJKDBSA-N 444.241 4.254 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccccc2NC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] 748335145 QHDNYPAILSZVBQ-CQSZACIVSA-N 443.456 4.434 5 20 IIBD O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccc(N2CCc3sccc3C2)cc1 748693512 UQXMNDOESSYIIK-UHFFFAOYSA-N 433.486 4.159 5 20 IIBD CC(C)[C@H](CCN(C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)NC(=O)OC(C)(C)C 749502875 UCRHBYHSVHHVJP-SFHVURJKSA-N 448.564 4.206 5 20 IIBD CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(C(=O)c1cc3cc([N+](=O)[O-])ccc3s1)CC2 750113489 DBYPRJHXOZIREM-HOCLYGCPSA-N 431.514 4.424 5 20 IIBD O=C(CNC(=O)c1sc2ccccc2c1Cl)OCc1nc2cc([N+](=O)[O-])ccc2o1 751618578 ALPWMSCGUJANDC-UHFFFAOYSA-N 445.840 4.077 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN(Cc1ccccc1)C[C@@]1(O)CCc2ccccc21 752128502 AVKCNEQVCHDTGN-SANMLTNESA-N 445.519 4.178 5 20 IIBD Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)ccc1OC1CCOCC1 753077182 DXMWBWSIVDRQJL-UHFFFAOYSA-N 440.905 4.224 5 20 IIBD C[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1Br)c1ccc([N+](=O)[O-])cc1F 754293544 UWDDUICKEBRIQB-SECBINFHSA-N 427.182 4.252 5 20 IIBD CC[C@@H]1c2ccsc2CCN1C(=O)COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F 754991260 XMLTXPTVEVDDLT-CQSZACIVSA-N 426.853 4.142 5 20 IIBD CC(=O)c1cccc(NC(=O)[C@@H](OC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C(C)C)c1 755059778 GQSZAOZNLWCJQN-XCLFUZPHSA-N 430.432 4.247 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1ccc(F)cc1C(F)(F)F 758509609 IQDPXGDOJIODDA-UHFFFAOYSA-N 443.172 4.316 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)O[C@H](C(=O)NCc1ccccc1)c1ccccc1 758730406 FIJRMSRDCNAOMW-DEOSSOPVSA-N 443.459 4.220 5 20 IIBD O=Cc1ccc(OCC(=O)Nc2ccccc2Oc2cc(F)cc(F)c2)c([N+](=O)[O-])c1 759355098 XLITUZODQRAWIC-UHFFFAOYSA-N 428.347 4.495 5 20 IIBD CCCN(CC)C(=O)c1ccc(C(=O)O[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 759955520 XUBMWGWBYMYPJW-MOPGFXCFSA-N 428.489 4.004 5 20 IIBD C[C@@H]1CC(=O)CC[C@H]1C(=O)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 760566491 GOAMBZHNTUUWKJ-YXKFXFPPSA-N 444.871 4.477 5 20 IIBD COc1cc(COC(=O)CN(C(=O)OC(C)(C)C)c2ccccc2)c([N+](=O)[O-])cc1F 766214044 ARLNRWGTSBFPML-UHFFFAOYSA-N 434.420 4.227 5 20 IIBD CCS(=O)(=O)c1ccc2oc(COC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)nc2c1 767272505 NTXXDWYJSWLDCU-UHFFFAOYSA-N 446.481 4.184 5 20 IIBD C[C@@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 769082702 ADTIHNWIENZMRE-AEFFLSMTSA-N 446.548 4.304 5 20 IIBD O=C(Nc1ccc(-n2cnc3ccccc32)nc1)c1cc(Br)cc([N+](=O)[O-])c1 770482088 MOWMPOQZZJOEKG-UHFFFAOYSA-N 438.241 4.344 5 20 IIBD Cc1sc2nc(CS[C@H](C)C(=O)Oc3cc(F)cc([N+](=O)[O-])c3)nc(O)c2c1C 771487076 SCGCNLYUJHSIJQ-SNVBAGLBSA-N 437.474 4.288 5 20 IIBD CC[C@@H]1CN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC[C@H]1NC(=O)OC(C)(C)C 774638397 GPOFWRKAISFKMY-CXAGYDPISA-N 437.928 4.181 5 20 IIBD C[C@@H]1CN(CCOc2ccc(CCNC(=O)c3cccc(Cl)c3[N+](=O)[O-])cc2)C[C@@H]1C 775504256 AADOLNYCQFISDX-CALCHBBNSA-N 445.947 4.187 5 20 IIBD COC(=O)[C@](C)(NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)c(Cl)c1 776402272 FYXIKWYJDVUGQM-QGZVFWFLSA-N 431.659 4.373 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCc2ncc(NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)cc2C1 777007600 OAHQVCQAKKNVSL-ACAQERRYSA-N 438.484 4.024 5 20 IIBD O=C1[C@H](NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCN1c1ccc(Cl)c(Cl)c1 779176553 SAZMZQAEQTYFEW-HXUWFJFHSA-N 449.338 4.266 5 20 IIBD Cc1cc(COC(=O)c2ccccc2CS(=O)(=O)c2ccccc2)ccc1[N+](=O)[O-] 781171494 BAZXTHADWXDFRM-UHFFFAOYSA-N 425.462 4.234 5 20 IIBD CC(C)C[C@@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 781587115 VBGMQAPNWJDFJA-GOSISDBHSA-N 425.445 4.216 5 20 IIBD Cc1c(C)n(C[C@H]2CCCO2)c2ncnc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])c12 782574265 DLVBSKZXKZYPPI-CQSZACIVSA-N 429.864 4.041 5 20 IIBD Cc1cc[n+](/C(C(=S)NCCc2ccc(F)cc2)=C(/O)c2cccc([N+](=O)[O-])c2)cc1 789427408 YNGMENQBTJUWSE-UHFFFAOYSA-O 438.504 4.373 5 20 IIBD COc1ccc(CCNc2nnc(S/C=C/c3ccc([N+](=O)[O-])o3)s2)cc1OC 789439407 BXTAUKAZQVJPNN-CSKARUKUSA-N 434.499 4.474 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCc2c(Br)ccc(F)c2C1 790566427 YYMCTCXHKBNEQJ-UHFFFAOYSA-N 445.647 4.416 5 20 IIBD CN(C[C@H]1CCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C 790578176 YAYWLTGNJNFPPJ-CYBMUJFWSA-N 443.903 4.035 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 793076013 DEQBFFUOGYPFMB-UHFFFAOYSA-N 440.500 4.213 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1ncc(-c2ccc(Cl)cc2)s1 793833694 ZQRMLDWZMHDUKJ-UHFFFAOYSA-N 447.856 4.210 5 20 IIBD O=C(COC(=O)c1cnc2c(F)cccc2c1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 795839264 AEGUOWJQQZSXDQ-UHFFFAOYSA-N 437.305 4.096 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2c(-c3ccccc3)noc2CC)c([N+](=O)[O-])c1 795941850 JBGNRZFMUCLAML-UHFFFAOYSA-N 439.424 4.006 5 20 IIBD CCOc1cc(N2CCN([C@H](C)c3nnc(-c4cccc(C)c4)o3)CC2)ccc1[N+](=O)[O-] 796463374 FAXFCKMQKZXCGK-QGZVFWFLSA-N 437.500 4.235 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(O)(c2scnc2Br)CC1 797524485 QDFIAHSTUSLQAD-GFCCVEGCSA-N 426.336 4.167 5 20 IIBD O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCOc2c(Br)cccc21 799441956 RQIIEPVJCRWOKZ-UHFFFAOYSA-N 442.063 4.159 5 20 IIBD CC(C)OC1CCC(NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC1 807014190 BZRCTRFHRDSJRT-UHFFFAOYSA-N 440.338 4.161 5 20 IIBD O=C(Cn1cc(Cl)cn1)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 808554487 ALEXQWGDICNHOM-SFHVURJKSA-N 449.250 4.021 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1 810948755 JNOZCXNIHNPCMA-INIZCTEOSA-N 449.573 4.426 5 20 IIBD O=C(COc1cccc(NC(=O)C2CC2)c1)OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811077788 NCWGATGJEDIKSV-UHFFFAOYSA-N 439.251 4.372 5 20 IIBD CC(=O)c1cccc(O[C@H](C)C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 811215136 NWCSQYGJYPKKDF-CQSZACIVSA-N 426.450 4.432 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1Cl 811374349 GPXRUMBIFMOLQT-UHFFFAOYSA-N 433.631 4.359 5 20 IIBD CCOc1cc(Br)c(F)cc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 813306433 UXEPCAMCEMJTOE-UHFFFAOYSA-N 442.197 4.364 5 20 IIBD C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(C(F)(F)F)nc1Cl 815049799 HPKQBJRARCSTLU-SSDOTTSWSA-N 444.218 4.355 5 20 IIBD Cn1c(COC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)nnc1-c1ccc(Cl)cc1 815512085 HOTUOONBSLYMBO-UHFFFAOYSA-N 440.765 4.420 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3ccc(N)c([N+](=O)[O-])c3)cc2[N+](=O)[O-])n1 819910125 NWLSOORHDCHLOJ-UHFFFAOYSA-N 431.455 4.254 5 20 IIBD CCc1ccc([C@H](C)NC(=O)[C@H](C)OC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 853790422 DSOIMVFNMKJZJJ-STQMWFEESA-N 449.301 4.342 5 20 IIBD O=[N+]([O-])c1cccc(Br)c1CNc1cc(F)c(F)cc1N1CCOCC1 864012460 PHJXYBMJOXDCCP-UHFFFAOYSA-N 428.233 4.084 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 871590350 OBOSKVNGKCOZIT-UHFFFAOYSA-N 425.426 4.453 5 20 IIBD Cc1nn(C)c2nc(C3CC3)cc(C(=O)O[C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c12 899574800 AUOCWNGOCLEQCR-LBPRGKRZSA-N 448.439 4.030 5 20 IIBD Cc1cc(-c2noc([C@H]3CCCCN3S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)ccc1F 904401511 RXLLJYRBMQJFDU-GOSISDBHSA-N 446.460 4.008 5 20 IIBD C[C@@H](c1ccc(Cl)cc1)N(C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)C1CC1 914480854 VPGPFTNNHVBAKH-DZGCQCFKSA-N 445.878 4.492 5 20 IIBD C[C@H](OC(=O)COc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 914909521 RBTXCYGWCPPOTL-JTQLQIEISA-N 446.765 4.216 5 20 IIBD Cc1nc(Cc2ccccc2)sc1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 915447344 XGJMJCKAVRZCHJ-AWEZNQCLSA-N 425.466 4.135 5 20 IIBD Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 917778096 HRRIOKURDXESJE-UHFFFAOYSA-N 440.456 4.244 5 20 IIBD Cc1c(I)cccc1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 1116519450 VOTIMUSBNIMHCA-UHFFFAOYSA-N 439.253 4.339 5 20 IIBD CCc1nc2c(s1)[C@@H](N(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1N)CCC2 1116950290 WEBZBAYRUMGVLG-LBPRGKRZSA-N 439.335 4.108 5 20 IIBD O=C(c1ccccc1SCc1ccco1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1251407044 WCDYXFPDKFEBTB-UHFFFAOYSA-N 437.521 4.438 5 20 IIBD Cc1ccc(Cn2ncc3c(C(=O)N[C@H](C)c4cccc([N+](=O)[O-])c4)cc(C)nc32)cc1 1317918239 RQDWKSWGUJHUBO-QGZVFWFLSA-N 429.480 4.496 5 20 IIBD O=C(COCc1ccccc1)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1 1785747617 BXFXJEIBWGCBJA-UHFFFAOYSA-N 449.463 4.152 5 20 IIBD Cc1oncc1C(=O)Nc1ccc(C2(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)CCC2)cc1 1787451006 AXEUXBSRUBGZHM-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD CO[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1)c1ccccc1 1787715107 QCVDVKOFFHWLQG-OAQYLSRUSA-N 448.479 4.058 5 20 IIBD CNc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])[nH]4)CCC3)cc2)cc1 1788001089 MLBYWSQVTOAOKI-UHFFFAOYSA-N 433.468 4.026 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)Nc1ccc(C2(NC(=O)[C@@]3(C)C[C@H]3C)CCC2)cc1 1790809030 AYXGTQMLWCIFQA-CMJOXMDJSA-N 437.496 4.403 5 20 IIBD CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])o1)C2)c1ccccc1 1795453684 PRGBXHGEYJQTRZ-KVGUICHISA-N 437.496 4.033 5 20 IIBD C[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C2 1802647691 VGYLPMNPLZOLSY-JGJBVQGFSA-N 447.535 4.125 5 20 IIBD COc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C4CC4)cc2)C3)ccc1[N+](=O)[O-] 1803822400 UKIDDXPFHMGTQS-WKCHPHFGSA-N 449.507 4.046 5 20 IIBD CC(C)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CSc2ccccc2[N+](=O)[O-])CC1 1826344739 SCNLKCZIGKWIQK-LJQANCHMSA-N 447.601 4.353 5 20 IIBD C[C@@H]1CCC[C@H]1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1828486234 NJFDHOHCJINCOD-HVETUWLQSA-N 445.535 4.403 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/C(C)C)CC1 1830729607 SYKGEXXJODSSMV-TYOLEZHBSA-N 445.535 4.488 5 20 IIBD C/C=C(\C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1831344004 LCINJORAFNWUJL-PGXHPTSJSA-N 425.529 4.194 5 20 IIBD CCC[C@H]1CC[C@H](C(=O)N2CC3(CCCN3C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)CC1 1845404131 VFSHGMIGMMGGKG-QAQDUYKDSA-N 431.508 4.157 5 20 IIBD Cc1ccc(NC(=O)[C@H](Sc2nc3nc(C)cc(C)n3n2)c2ccccc2)c([N+](=O)[O-])c1 8621609 AGCUGFGKWZUUFA-LJQANCHMSA-N 448.508 4.430 5 20 IIBD COc1cc(COC(=O)c2cccnc2SC(F)F)c([N+](=O)[O-])cc1OC(F)F 11065069 GMCDVXYGZVLSCN-UHFFFAOYSA-N 436.339 4.272 5 20 IIBD COc1ccc(NC(=O)[C@@H](OC(=O)c2cc([N+](=O)[O-])ccc2OC)c2ccccc2)cc1 16128871 MDMZYGOJNDSTTI-NRFANRHFSA-N 436.420 4.149 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2ccc(Br)c(C)c2)c1 16195851 DQKWDYIIUFNEDI-UHFFFAOYSA-N 439.287 4.183 5 20 IIBD C[C@@H](OC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl 16822979 BPZCOVJERBBIJB-SNVBAGLBSA-N 445.781 4.249 5 20 IIBD C[C@@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1nnc(-c2cccs2)o1 17727233 MQIZLUBXSSXMKI-CYBMUJFWSA-N 428.470 4.227 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Cl)N[C@H](c1ccccc1)c1cccs1 18219645 LLCOVKIMTJOLKA-LJQANCHMSA-N 430.869 4.372 5 20 IIBD CCOc1cc(C(=O)OCc2nc(-c3ccc(Cl)cc3)no2)c([N+](=O)[O-])cc1OC 19473997 JERFDVJOXCEVMG-UHFFFAOYSA-N 433.804 4.063 5 20 IIBD CCOc1ccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)o2)c([N+](=O)[O-])c1 21547829 BBZHWLPVYGYOSN-UHFFFAOYSA-N 434.861 4.428 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H]3CCCC[C@@H]3C)cc2)cc1[N+](=O)[O-] 21875682 MISVORFRGRFTOT-LIRRHRJNSA-N 431.514 4.013 5 20 IIBD Cc1c(NC(=O)[C@@H](C)Sc2nc3cc4ccccc4cc3c(=O)n2C)cccc1[N+](=O)[O-] 26580820 CSLMCDUCMRKRAU-CQSZACIVSA-N 448.504 4.423 5 20 IIBD COc1ccc(CN(C(=O)COc2cccnc2[N+](=O)[O-])[C@H](C)Cc2cccs2)cc1 27267822 UMODEBQYOFRYNN-MRXNPFEDSA-N 441.509 4.099 5 20 IIBD CCOc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccc(C)c([N+](=O)[O-])c4)cc3C2=O)cc1 29486182 NSMYQGURXSYZDN-UHFFFAOYSA-N 445.431 4.355 5 20 IIBD C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(NC(=O)C2CC2)cc1 31400559 UPYNQEIGBMTXBG-QGZVFWFLSA-N 439.515 4.381 5 20 IIBD CN(Cc1cc(Br)cs1)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] 64113359 ACADJKNNDGNEPF-UHFFFAOYSA-N 435.303 4.020 5 20 IIBD CCCN(C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)[C@@H]1CCc2ccccc2C1 72024190 VYLJUARRGGYPLK-LJQANCHMSA-N 437.496 4.079 5 20 IIBD Cc1nc(CSc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])cs1 216929598 ZYVGAUJVJNPAKW-UHFFFAOYSA-N 427.573 4.217 5 20 IIBD Cc1c(C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)nnn1-c1cccc([N+](=O)[O-])c1 253599753 UBJPYFXUGJSTBF-UHFFFAOYSA-N 439.435 4.075 5 20 IIBD O=C(Nc1cccc(CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)c1)c1ccncc1 301124737 VAEAOWSSLMSRGG-UHFFFAOYSA-N 445.479 4.090 5 20 IIBD O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn23)C1 301746551 PVZRHEGPIDXROG-JTQLQIEISA-N 426.786 4.089 5 20 IIBD CCc1cc(Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 302944465 CISONRMIJLXKGS-HXUWFJFHSA-N 433.468 4.475 5 20 IIBD O=C(CCSc1nnc(-c2ccccn2)n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-] 410058514 SIYHACRCXWLREF-UHFFFAOYSA-N 446.492 4.358 5 20 IIBD Cc1cccc(C(=O)Nc2ccccc2C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c1 427976058 VUTVBHVQCWECLT-UHFFFAOYSA-N 431.448 4.190 5 20 IIBD CC[C@@]1(CO)CCCN(C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 428540924 SQBGWPPXNWYXLM-HSZRJFAPSA-N 442.537 4.172 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)CC[C@@H]1O 428667001 KXMJBWWQOCESEU-WBMJQRKESA-N 429.523 4.199 5 20 IIBD O=C(c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O)N1CCc2ccc([N+](=O)[O-])cc2C1 430591870 LCESVOWHRCGBQP-UHFFFAOYSA-N 441.443 4.427 5 20 IIBD Cc1c(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cccc1C(=O)N1CCCC1 431445886 PNSRMYRUDBQEFQ-UHFFFAOYSA-N 432.274 4.154 5 20 IIBD O=[N+]([O-])c1ccc2nc(N3CC[C@H](Cc4ccc(Br)cc4)C3)nc(O)c2c1 432163805 ROMSUTZDFUWHTN-CYBMUJFWSA-N 429.274 4.075 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1nccn1CCCc1ccccc1 434363025 OLQWIWXGCYLGDE-INIZCTEOSA-N 442.903 4.161 5 20 IIBD CC(=O)N1CCCc2cc(NC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)ccc21 436284636 MQNJKAZFPVFYSQ-UHFFFAOYSA-N 429.451 4.372 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H](C)[C@H]1c1ccc(C(F)(F)F)cc1 437732604 MURDSXCIGOETFH-NJSLBKSFSA-N 449.429 4.342 5 20 IIBD C[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 438701808 PMSXTIHTEBIYMN-HNAYVOBHSA-N 434.949 4.001 5 20 IIBD CCOc1cc(NC(=O)N[C@@H](CO)c2cccc(Cl)c2F)c([N+](=O)[O-])cc1OCC 439346269 UETRGRSPMJUDER-AWEZNQCLSA-N 441.843 4.040 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2-c2nncn2C(C)C)cc1SC 439644907 LWZVKEMEOQTESV-UHFFFAOYSA-N 427.486 4.417 5 20 IIBD CC(C)(C)OC(=O)C1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 444018326 DDNNDGLMXJXSRF-UHFFFAOYSA-N 442.462 4.153 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCC(Cc2cccnc2)CC1 444283377 DNOLZKJQMOOLED-UHFFFAOYSA-N 433.458 4.449 5 20 IIBD O=C(NCc1ccccc1OCCO)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 444550089 NJDGZLXYBJLXRT-UHFFFAOYSA-N 442.855 4.342 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 444892671 CNERJWJVQYCLNS-UHFFFAOYSA-N 440.422 4.218 5 20 IIBD COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 446882016 ALGOPJDZPBZYSV-UHFFFAOYSA-N 449.438 4.193 5 20 IIBD CCN([C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 447032475 YHJMBWDSMPUPGU-NSHDSACASA-N 431.283 4.268 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC1(c2cccc(OC(F)(F)F)c2)CCOCC1 447321178 LOJKVJTUJVSZBQ-UHFFFAOYSA-N 426.391 4.298 5 20 IIBD C[C@H]1CCO[C@H]1c1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1CCc1ccccc1 460441254 UTDPGVJTXTVEEE-PGRDOPGGSA-N 435.528 4.205 5 20 IIBD Cc1ccc2nc(COc3cccc(C(=O)NCCc4ccccc4[N+](=O)[O-])c3)cn2c1 460487324 FIUZTPUOWDESCY-UHFFFAOYSA-N 430.464 4.102 5 20 IIBD CSc1ccc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 461889915 LQQNMEMTYNOSPS-SNVBAGLBSA-N 431.333 4.119 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1cc(-c2ccccc2)on1 462156068 HBULSTMMNGRAJF-UHFFFAOYSA-N 428.253 4.035 5 20 IIBD C[C@H]1C[C@@H](c2ccccc2F)N(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 462634557 ZTKRDJZYQYGRRY-NHYWBVRUSA-N 443.294 4.268 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 462761170 NAPVZFXACHWNLX-OALUTQOASA-N 441.528 4.284 5 20 IIBD CNc1c(C(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)cccc1[N+](=O)[O-] 462775635 IOAFPVTVTRWLGB-UHFFFAOYSA-N 429.305 4.419 5 20 IIBD C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 464367643 SFPWSLJLLKXKTD-SFHVURJKSA-N 446.507 4.281 5 20 IIBD CCOC(=O)c1cc(C(=O)N[C@@H](CC)c2nc(C(F)(F)F)cs2)cc([N+](=O)[O-])c1 465196709 WUCWRLIYUMCVSB-LBPRGKRZSA-N 431.392 4.128 5 20 IIBD COc1cc(F)c([C@H](C)NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1OC 465931111 PSWXDBCXNTXEIT-AWEZNQCLSA-N 447.463 4.065 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 466301217 ZPOBTDUUHXPWAN-UHFFFAOYSA-N 444.896 4.152 5 20 IIBD CCOC(=O)Cn1ccc2cc(NC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)ccc21 467385805 QIGMTUAJXBAYJE-UHFFFAOYSA-N 430.848 4.088 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@H](OCc2ccccc2F)C1 470688826 NENHJCYJBAHTNW-IBGZPJMESA-N 427.476 4.156 5 20 IIBD O=C(Nc1ccc(OCc2ccccn2)c(F)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 471534440 YVMAMJBXYCOCNQ-UHFFFAOYSA-N 433.399 4.146 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1ncoc1-c1ccccc1 472323946 FOLNQSYKWQXFKG-UHFFFAOYSA-N 428.253 4.035 5 20 IIBD O=C(Nc1ccc2nc(C3CCCCC3)[nH]c2c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 474260154 YGMGJILIBWGCQF-UHFFFAOYSA-N 431.456 4.352 5 20 IIBD CC(C)c1ccc([C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])N2CCc3sccc3C2)cc1 480646909 LESOFOLIYFGWEI-SFHVURJKSA-N 439.541 4.032 5 20 IIBD CCOc1cc(N2CCN(Cc3nnc(-c4ccc(Cl)cc4)o3)CC2)ccc1[N+](=O)[O-] 481789196 ZFXMDSYDSWLPSJ-UHFFFAOYSA-N 443.891 4.019 5 20 IIBD CCc1cc(Sc2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC)nc(-c2ccncc2)n1 481838474 QRYLEHWAXBLKSG-UHFFFAOYSA-N 433.497 4.439 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)cc1OC 483671199 MRPAXIYUWHEBKI-UHFFFAOYSA-N 448.422 4.015 5 20 IIBD O=C(Nc1ccc(C(F)(F)F)nn1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 484152090 OBISUHCLIBFCGT-UHFFFAOYSA-N 447.160 4.148 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)Sc1nnc(N2CCOCC2)n1-c1cccc(F)c1 484512669 GYEDHSZMVFCVCA-HNNXBMFYSA-N 443.504 4.313 5 20 IIBD O=C(Nc1c(Cl)ccc2c1CCO2)c1ccc([N+](=O)[O-])cc1I 484607574 ZJEMUYJEHUNXIB-UHFFFAOYSA-N 444.612 4.040 5 20 IIBD O=c1c(Cl)c(N2CCC(c3c(F)cccc3F)CC2)cnn1-c1ccc([N+](=O)[O-])cc1 486043147 YTJVBSVIISFFSH-UHFFFAOYSA-N 446.841 4.456 5 20 IIBD O=C(c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 486044567 KUXOJOBSOOCPSC-UHFFFAOYSA-N 438.434 4.352 5 20 IIBD Cc1cc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)n(-c2ccccn2)n1 486340379 WPBLCNAXVJUDHC-INIZCTEOSA-N 443.467 4.304 5 20 IIBD CCOC(=O)c1nc(CC)oc1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 486435207 NRWSDNKGCYTWIN-UHFFFAOYSA-N 439.424 4.153 5 20 IIBD CCN(CC)C(=O)c1ccc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 486765925 YWODGUPVCYOOFZ-UHFFFAOYSA-N 438.406 4.417 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H](C)c2cccnc2)CC1 486773336 SNHUYHDARLFPHC-KRWDZBQOSA-N 428.558 4.257 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCC[C@@H](Cc3ccc(OC)cc3)C2)c(C)c([N+](=O)[O-])c1 486898688 RMBKQCXEESOBJY-KRWDZBQOSA-N 441.484 4.185 5 20 IIBD O=C1[C@@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCN1c1cc(Cl)ccc1Cl 486989065 KWAOTWAYTNWPCS-INIZCTEOSA-N 448.306 4.446 5 20 IIBD CN(CC(=O)OC(C)(C)C)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 487004643 YXQSUGZITLMZEV-IBGZPJMESA-N 433.892 4.202 5 20 IIBD CCO[C@@H](C)c1noc(CN(C)C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n1 488057509 WUQLVWKFUXWKAD-AWEZNQCLSA-N 442.497 4.499 5 20 IIBD C[C@H](c1nccn1-c1ccccc1)S(=O)(=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 488808942 VRAAARAEULHXSA-OAHLLOKOSA-N 438.465 4.112 5 20 IIBD CCOc1cc(CN2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn34)C2)ccc1[N+](=O)[O-] 492646255 BGEIWEVIHYHHOO-OAHLLOKOSA-N 449.433 4.435 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1[N+](=O)[O-] 493084973 ZLABKKFMXOYHHC-HOCLYGCPSA-N 445.907 4.073 5 20 IIBD CCN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@@H](c1ccc(C)cc1)c1cccnc1 496567107 CTJSPJIIBLBBGQ-QHCPKHFHSA-N 442.479 4.131 5 20 IIBD CCOC(=O)c1sc2ccsc2c1CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] 497517136 VFTUFLUONALEGW-UHFFFAOYSA-N 440.524 4.063 5 20 IIBD CCCOc1ccc(CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])c(OC(F)F)c1 497531967 HRTIMHSZCACGRC-UHFFFAOYSA-N 430.429 4.001 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(CC(=O)N(C)C)cc2)cc1 499990745 XQSRXRMSRGNEJL-UHFFFAOYSA-N 449.463 4.279 5 20 IIBD CCCN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@H](C)CC(=O)Nc1ccccc1 500647555 RIPSMEKRDMNDLJ-QGZVFWFLSA-N 435.484 4.050 5 20 IIBD Cc1nc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)nn1-c1ccccc1C(C)C 503306630 ZDZQRYUCEIJBKM-UHFFFAOYSA-N 437.456 4.021 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 503561620 DSKLVPNWQOZADS-VAMGGRTRSA-N 449.429 4.328 5 20 IIBD CS(=O)(=O)c1ccc(-c2nc(Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)cs2)cc1 504502651 HKSMXXWYDOAASB-UHFFFAOYSA-N 440.506 4.034 5 20 IIBD Cc1cn2cc(C(=O)Nc3cc(-c4ccco4)nn3-c3cccc([N+](=O)[O-])c3)sc2n1 505222061 DYMAVVQWMVWZOT-UHFFFAOYSA-N 434.437 4.310 5 20 IIBD O=[N+]([O-])c1c(NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)nc2sccn12 505580782 ASUOKNJBAKDSBY-UHFFFAOYSA-N 426.420 4.483 5 20 IIBD COc1ccc(-c2nc(CN3CCN(Cc4c(F)cccc4[N+](=O)[O-])CC3)cs2)cc1 505641472 ZBIXVKQKNLGELC-UHFFFAOYSA-N 442.516 4.184 5 20 IIBD COc1ccc(Br)cc1[C@H]1CCCN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 510573492 YPBLPYJUSXYGPQ-GOSISDBHSA-N 448.317 4.455 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccc(OC(F)F)c(F)c1 511275624 WKASWXMOGNHMDP-UHFFFAOYSA-N 426.394 4.212 5 20 IIBD O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 515357814 YICCPMOUEBFQSZ-UHFFFAOYSA-N 449.492 4.074 5 20 IIBD CNC(=O)c1ccc(Oc2ccc(C(=O)N3CCc4sccc4C3)cc2)c([N+](=O)[O-])c1 517534998 SNLOUAQFLZCDOP-UHFFFAOYSA-N 437.477 4.007 5 20 IIBD COC(=O)[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccc(Br)cc1 520169230 GFHDOFVTJZBTDO-MRXNPFEDSA-N 449.282 4.216 5 20 IIBD Cc1cc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c2cc(Br)cc(F)c2n1 520246233 UVRAQVBYYBJGTP-UHFFFAOYSA-N 446.280 4.075 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@@H](C)C[C@@H]2CCCO2)c([N+](=O)[O-])c1 523297852 SUYLSHJPGGDOPB-WMZOPIPTSA-N 433.530 4.180 5 20 IIBD Cc1ccc(-c2csc(NC(=O)Cc3nnc(-c4ccccc4)n3C)n2)cc1[N+](=O)[O-] 524429424 ADGQNTRVKRDEGQ-UHFFFAOYSA-N 434.481 4.003 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(-c3nc(CC(=O)Nc4ccccc4)no3)cc2[N+](=O)[O-])C1 524639134 NZOYDFIRMHHXLF-HZPDHXFCSA-N 435.484 4.308 5 20 IIBD CCc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)s1 525050464 VFOAFJXEDBYAHQ-GFCCVEGCSA-N 446.558 4.035 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC(C)(C)C)cc1 525057037 XFDMIYKGKZQSRC-IBGZPJMESA-N 445.541 4.262 5 20 IIBD CN1CCC(N(Cc2ccccc2)C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 530680016 DOJLRUXEBXSFTL-UHFFFAOYSA-N 439.559 4.278 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccccc1NS(=O)(=O)c1cccs1 533609156 GKSYYNRBGSGWOG-CQSZACIVSA-N 445.522 4.257 5 20 IIBD COc1cc(CCNC(=O)N[C@H](c2ccc(F)c(C)c2)C2CC2)c([N+](=O)[O-])cc1OC 533955404 KCZYUMUBTBLKRN-NRFANRHFSA-N 431.464 4.053 5 20 IIBD CN1CC[C@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 534247683 BYSOGGHULLVEKS-KZULUSFZSA-N 426.275 4.464 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 536101576 WUDDPRUWZCYKQV-UHFFFAOYSA-N 426.256 4.011 5 20 IIBD O=C(Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)NCc1ccc(F)cc1C(F)(F)F 537047548 VPELGQXPFBADAB-UHFFFAOYSA-N 430.745 4.072 5 20 IIBD O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1cccc(C2CCC2)c1 538402119 PBUVNSCNWRVALT-UHFFFAOYSA-N 443.506 4.404 5 20 IIBD CC(=O)Nc1cc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc(C(F)(F)F)c1 538696035 VGAGDVGNXORSNP-UHFFFAOYSA-N 429.782 4.198 5 20 IIBD Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 538700924 GXMPFTAJKYUNFN-IBGZPJMESA-N 431.920 4.060 5 20 IIBD CC1CCN(CCc2cccc(NC(=O)COc3ccc([N+](=O)[O-])c4cccnc34)c2)CC1 538808789 QOVBNFGTZHKRPA-UHFFFAOYSA-N 448.523 4.435 5 20 IIBD CCS(=O)(=O)C[C@@H](C)N(C)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 539826350 ORTJIHGLWTVMEQ-CQSZACIVSA-N 426.922 4.296 5 20 IIBD C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1nc(C(C)(C)C)cs1 541651306 HZYIOEYSVCJYHB-SNVBAGLBSA-N 441.351 4.401 5 20 IIBD O=C(CN1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] 542942988 YJVUNMHPRSGLTI-QGZVFWFLSA-N 443.809 4.279 5 20 IIBD CCc1ccc([C@@H](Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)c2ccc([N+](=O)[O-])cc2)o1 543428135 LACPBZUOYDYPQJ-VWNXMTODSA-N 448.523 4.401 5 20 IIBD NS(=O)(=O)c1cccc(N[C@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)c1[N+](=O)[O-] 546055290 WXYNSPMVBMFBSC-HNNXBMFYSA-N 449.838 4.478 5 20 IIBD Cc1ccc(S(=O)(=O)Cc2noc([C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 546238293 QGVREKSQXUKUPF-LBPRGKRZSA-N 437.861 4.054 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(Sc2nc(C)c(C)[nH]2)c([N+](=O)[O-])c1 549199778 LMEJPMVDSIFMPV-UHFFFAOYSA-N 432.527 4.301 5 20 IIBD O=C(NCC(=O)N(Cc1ccccc1Cl)CC1CC1)c1c(Cl)cccc1[N+](=O)[O-] 552878395 VHQLAZXMAIJEQR-UHFFFAOYSA-N 436.295 4.070 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCSC1 553736851 ZOIFEXWMFKHPFE-QGZVFWFLSA-N 436.537 4.249 5 20 IIBD C[C@@H](Cc1ccccc1C(F)(F)F)N(C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] 553883446 OAHUFWXXMMOAJG-AWEZNQCLSA-N 430.448 4.049 5 20 IIBD CC(C)(C(=O)N1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1)c1ccccc1[N+](=O)[O-] 556595229 GKHZKPZDUKTWCC-KRWDZBQOSA-N 435.480 4.040 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(F)c(F)cc2I)c1 563464468 BUZOYJXKKIWYAS-UHFFFAOYSA-N 448.163 4.129 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(-c3cc(F)ccc3C(F)(F)F)no2)c1N1CCOCC1 563877866 HNKKCALKBUWSMA-UHFFFAOYSA-N 438.337 4.306 5 20 IIBD COC(=O)c1occc1CN(C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccccn1 565415613 JYIDPUZUCODHCJ-CVEARBPZSA-N 437.452 4.263 5 20 IIBD O=C(O)CC1(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CCCCC1 566598321 QVOOPOJWNVSQMD-UHFFFAOYSA-N 428.435 4.115 5 20 IIBD CCCN(C(=O)c1cc(OCC)ccc1[N+](=O)[O-])C1CCN(C(=O)c2ccccc2)CC1 566926765 WKTROUZLJKUUQU-UHFFFAOYSA-N 439.512 4.151 5 20 IIBD C[C@H](C(=O)Nc1ccnn1Cc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 570885477 HNGHAAHJHCHDBV-ZDUSSCGKSA-N 429.274 4.344 5 20 IIBD CC[C@H](NC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 573127698 RWNGQNDEASAYJZ-ZDUSSCGKSA-N 440.399 4.103 5 20 IIBD COc1cccc2c1CCN(c1nnc(-c3cccc([N+](=O)[O-])c3)n1Cc1ccccc1)C2 577552326 IBGUQUFEAPQYQC-UHFFFAOYSA-N 441.491 4.473 5 20 IIBD Cc1ccc(-c2[nH]nc(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)c2C)o1 580034602 NDVHDVKQHJONHK-UHFFFAOYSA-N 434.402 4.812 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1C[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 581041349 NAPPRBKYYOXLNH-IAGOWNOFSA-N 446.454 4.182 5 20 IIBD CCOc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)Cc2ccccc2)CC3)cc1[N+](=O)[O-] 584251570 XBXAGMWDTZTGKO-UHFFFAOYSA-N 445.475 4.378 5 20 IIBD Cc1ccc(Cl)c2sc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)nc12 588774558 GJIPYCAKZGSSQQ-NSHDSACASA-N 434.861 4.003 5 20 IIBD CCc1cccc2c1OCC[C@H]2NCc1cc(I)cc([N+](=O)[O-])c1 589311299 MIXGOHSHSUJBQW-QGZVFWFLSA-N 438.265 4.375 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 589539406 RSILKQYTHQNDIR-HSZRJFAPSA-N 434.442 4.033 5 20 IIBD C[C@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 603983172 LTLYGXFJWCLQJF-ZDUSSCGKSA-N 437.905 4.064 5 20 IIBD Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 608962068 SSALXHAXGGKKTC-INIZCTEOSA-N 449.511 4.143 5 20 IIBD COc1ccc(S(=O)(=O)N[C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)c([N+](=O)[O-])c1 609352819 FYZQHMXUTGKGIM-AWEZNQCLSA-N 447.538 4.383 5 20 IIBD O=C(Nc1ccnn1Cc1ccc(Cl)c(F)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 609428198 NSJSYGRACYLINK-UHFFFAOYSA-N 440.822 4.070 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(CSC2CCOCC2)c1 609705833 MSWAPOVFUAOSKM-UHFFFAOYSA-N 436.555 4.370 5 20 IIBD C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 609837760 FQAIWINEZPGPIA-FXAWDEMLSA-N 432.480 4.137 5 20 IIBD Cc1ccccc1[C@@H]1C[C@H](C)N(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 610006172 ZWRWGHSWJRSUBN-UONOGXRCSA-N 439.331 4.232 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CC(Cc3ccc(C(F)(F)F)cc3)C2)cc([N+](=O)[O-])c1 610660529 TVZXMZAUHQSPBW-UHFFFAOYSA-N 436.386 4.105 5 20 IIBD COc1cc(CN(C)[C@H]2CCCc3c2cnn3C)c([N+](=O)[O-])cc1OCc1ccccc1 611276140 QKOKXUPYENILMI-FQEVSTJZSA-N 436.512 4.425 5 20 IIBD COc1cccc(-n2c(SCC(=O)c3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)c1 612217551 IKJWYCQVZCQASM-UHFFFAOYSA-N 447.472 4.278 5 20 IIBD O=C(COC(=O)c1ccc(OCc2ccccc2)nc1)Nc1cc([N+](=O)[O-])ccc1Cl 725981949 RUOYDHRIRIURBQ-UHFFFAOYSA-N 441.827 4.018 5 20 IIBD CCc1cc2oc(=O)cc(Cn3c(C)nc([N+](=O)[O-])c3Br)c2cc1Cl 726432104 VOCMSKUTKAGRDR-UHFFFAOYSA-N 426.654 4.233 5 20 IIBD CC(C)(C)OC(=O)N1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c2ccccc2C1 728055626 AZMFLPVDMFKPNT-UHFFFAOYSA-N 441.484 4.219 5 20 IIBD C[C@@H](c1ccc(F)cc1F)N1CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 728908198 DPIOQNNZCWHWDL-INIZCTEOSA-N 427.455 4.073 5 20 IIBD Cc1ccc(C(C)C)c(OCC(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 729194223 ZQZQOOIOOHFDCJ-UHFFFAOYSA-N 427.501 4.260 5 20 IIBD O=C(N[C@H](c1ccccc1)C1CCC1)c1cc([N+](=O)[O-])ccc1I 729380888 XELLVGNWEMTYSU-QGZVFWFLSA-N 436.249 4.471 5 20 IIBD COCCN(Cc1ccc(F)cc1Cl)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 730497902 CFTSNPVJLWXIBJ-UHFFFAOYSA-N 439.827 4.201 5 20 IIBD Cc1ccc(F)c2c1N(C(=O)c1cc([N+](=O)[O-])ccc1I)CCC2 731330004 XAZYEWRNYUTHKB-UHFFFAOYSA-N 440.212 4.240 5 20 IIBD CC(C)n1c([C@H]2CCCN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)C2)nc2ccccc21 733958555 NLBLXJDCPXAHIQ-INIZCTEOSA-N 440.475 4.450 5 20 IIBD COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1NC(=O)OC(C)(C)C 734420133 VZPIXYFONHQCMC-UHFFFAOYSA-N 437.474 4.060 5 20 IIBD O=C(Nc1cc(-c2ccccc2Br)no1)c1cc2c(cc1[N+](=O)[O-])OCCO2 736679667 IOKALASEHNPWQL-UHFFFAOYSA-N 446.213 4.036 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCC[C@H](C)[C@@H]1c1ccc(C)cc1 737981332 WHBISUCPAHXWLM-QMHKHESXSA-N 426.469 4.103 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCc1ccc(Oc2ccccc2F)c(F)c1 741972927 AFFLDWWCPBSWBB-UHFFFAOYSA-N 432.354 4.500 5 20 IIBD C[C@@H](CCc1ccccc1F)C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 744116874 NFXGLXABDMJJLX-FUHWJXTLSA-N 428.460 4.151 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCCn3ccnc3C(C)C)cc2[N+](=O)[O-])n1 744407146 DBTLTMMYNLAVDQ-UHFFFAOYSA-N 431.543 4.261 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccsc2-n2c(C)ccc2C)c([N+](=O)[O-])c1 744516535 RCJUCUQEMRANBV-CQSZACIVSA-N 443.481 4.256 5 20 IIBD C[C@@H](OC(=O)COc1cccc(Br)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 745900656 COZQYRVSTQEBIW-LLVKDONJSA-N 448.229 4.091 5 20 IIBD Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(-c2nc(C3CC3)no2)c1 747620875 KCOJMNVCPYPOCK-UHFFFAOYSA-N 434.861 4.285 5 20 IIBD O=C(COc1ccc(Cc2ccccc2)cc1[N+](=O)[O-])Nc1cc([N+](=O)[O-])ccc1F 748632498 DSOJBOSKEYUMNE-UHFFFAOYSA-N 425.372 4.250 5 20 IIBD COc1ccc(-n2c(SC[C@@H](O)c3cccc([N+](=O)[O-])c3)nnc2-c2ccccn2)cc1 749690980 YDBNIBYEVXNFMY-HXUWFJFHSA-N 449.492 4.072 5 20 IIBD COc1cc(C(=O)OCC[C@@H]2CCOC2=O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 754065160 DPOZLWCAXBIQEZ-LBPRGKRZSA-N 435.816 4.159 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N[C@@H](CO)C[C@H](O)c3ccccc3)c([N+](=O)[O-])c2)cc1 754087961 VPXFUAWHJJOYBK-OFNKIYASSA-N 435.480 4.052 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)OCc1ncc(-c2cccc(Br)c2)o1 755676244 BOHUYYBYKQHBJY-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N(Cc1ccccc1)C[C@H](O)c1cccs1 755759653 ZNBUYHCDPKEWGH-NRFANRHFSA-N 448.504 4.218 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cc(O)nc2c(Br)cccc12 756999244 UMDXNBYUKLLQPW-UHFFFAOYSA-N 436.649 4.195 5 20 IIBD Cc1cc(F)cc(C(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)c1[N+](=O)[O-] 758413955 NVIMOXDKQSKCOF-UHFFFAOYSA-N 425.391 4.364 5 20 IIBD Cn1c2ccccc2c2cc(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3F)sc21 762209660 XDBUQBYHDFKYAY-UHFFFAOYSA-N 427.413 4.236 5 20 IIBD O=C(Nc1ccccc1C(=O)NC[C@@H](O)c1ccsc1)c1ccc([N+](=O)[O-])cc1Cl 762498398 WQTUERTXDGPSFN-GOSISDBHSA-N 445.884 4.025 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl 762761681 KIIYLEBVJKTNEU-NZSAHSFTSA-N 439.940 4.142 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Oc2cnccc2-c2ccccc2)c1 766156493 UJAJTOKHUQLPGB-UHFFFAOYSA-N 435.255 4.187 5 20 IIBD CC(C)(C)c1ccccc1NC(=O)COC(=O)c1cc(Br)cc([N+](=O)[O-])c1 770158523 MNEFAJNJYRKQLL-UHFFFAOYSA-N 435.274 4.450 5 20 IIBD COc1cc(OCC(=O)O[C@@H](C(F)(F)F)C(C)(C)c2ccccc2)ccc1[N+](=O)[O-] 771365523 BSURHKCFQMVPBQ-GOSISDBHSA-N 427.375 4.434 5 20 IIBD C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC=C(c2ccc3c(c2)OCCO3)CC1 771461606 GXBAQPCXBNOJTP-AWEZNQCLSA-N 443.887 4.136 5 20 IIBD C[C@H]1C[C@@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCN1C(=O)OC(C)(C)C 772376092 FXBLJFHFHGMGNQ-WMZOPIPTSA-N 434.537 4.005 5 20 IIBD C[C@@H](OC(=O)c1cnc(Oc2ccccc2)cn1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 773674403 SLVKKSWCHZGQMY-GFCCVEGCSA-N 442.815 4.015 5 20 IIBD C[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(NC(=O)Cc2ccccc2F)c1 774988385 ACILQPJNBSUEBW-QMHKHESXSA-N 437.471 4.299 5 20 IIBD COc1cc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cc2c1O[C@H](C)C2 775495581 MAXAGHOFZPMRGJ-GFCCVEGCSA-N 425.466 4.327 5 20 IIBD CC1CCC(N2C[C@H](C(=O)O[C@@H](c3cccnc3)c3ccccc3[N+](=O)[O-])CC2=O)CC1 776137475 JFONGFLVLICNEH-ZWYYJQIRSA-N 437.496 4.050 5 20 IIBD COC(=O)COc1ccc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c2ccccc12 778038021 GGJKUXASUZVZJF-UHFFFAOYSA-N 430.363 4.030 5 20 IIBD O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 780758281 NGPKAWVMHQITSY-HXUWFJFHSA-N 427.287 4.452 5 20 IIBD O=C(C[C@H](O)c1ccc(OCc2ccccc2)cc1)OCc1cc(F)ccc1[N+](=O)[O-] 781286256 XTLRESMOHYOJQX-QFIPXVFZSA-N 425.412 4.480 5 20 IIBD C[C@H](OC(=O)C(C)(C)CC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 781751422 GJYVJQMDOZKURC-ZDUSSCGKSA-N 432.860 4.418 5 20 IIBD O=C(NOCc1ccc(F)cc1Br)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 781865119 BWHFKSCPEQQISU-UHFFFAOYSA-N 437.143 4.377 5 20 IIBD CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)OC(=O)Cc1ccc([N+](=O)[O-])cc1Cl 785938108 ZQSBJNJNQOMMML-GFCCVEGCSA-N 444.827 4.310 5 20 IIBD CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 786357494 BHWQYODDGCRPKG-JDFRZJQESA-N 446.422 4.469 5 20 IIBD O=C(O[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1)c1ccc(-c2cncnc2)cc1F 787023857 CDIQZZAQUKRIJG-QGZVFWFLSA-N 440.406 4.156 5 20 IIBD C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)COc1cc(F)c(Br)cc1[N+](=O)[O-] 790295147 FJAUCXNPLXADBZ-SECBINFHSA-N 447.207 4.373 5 20 IIBD O=C(c1ccc(Cl)nc1Cl)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791235062 OXUNYPOXDJQZKH-UHFFFAOYSA-N 431.073 4.258 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 791693453 AZLBWBYSRSOAHR-UHFFFAOYSA-N 428.426 4.302 5 20 IIBD COc1ccc(OC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 791775927 NIAFZIQEBMURSI-KPZWWZAWSA-N 439.251 4.035 5 20 IIBD CCC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c1 794580206 WIHCUEJDVVTBPL-UHFFFAOYSA-N 434.804 4.243 5 20 IIBD Cc1c(CC(=O)OC[C@H]2CCC(=O)N(C)[C@@H]2c2cccc(Cl)c2)cccc1[N+](=O)[O-] 797059373 WHARJKSDQUXHHT-VGOFRKELSA-N 430.888 4.252 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N(CCc1ccccn1)Cc1cccnc1 797593833 QTMBJMIWLMZBAV-UHFFFAOYSA-N 441.285 4.032 5 20 IIBD O=C(N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 797774707 QQMQFDRDQQBVCN-UMSPYCQHSA-N 438.209 4.081 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccccc1[C@@H](O)c1ccccn1 798261633 FDPLPABCICRECI-HHHXNRCGSA-N 435.483 4.270 5 20 IIBD COc1cc(COC(=O)c2ccncc2C(F)(F)F)c([N+](=O)[O-])cc1OCC(F)F 800240960 YSOIJAQTARAGSW-UHFFFAOYSA-N 436.289 4.018 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)OC[C@H]1CCN(C(=O)c2ccccc2)C1 801302459 NTJYCVZFYQJMFX-INIZCTEOSA-N 428.510 4.414 5 20 IIBD COc1cc(COC(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)c([N+](=O)[O-])cc1F 805631088 AEULCSHLSXXADV-UHFFFAOYSA-N 441.293 4.168 5 20 IIBD COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1C 811375539 DTHZMISVPURFAE-VIFPVBQESA-N 443.239 4.061 5 20 IIBD O=C(N[C@@H](c1ccccc1)[C@H](O)c1ccccc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 811548790 WPGMHCXNUCGDBZ-LOSJGSFVSA-N 445.519 4.402 5 20 IIBD CN(C)c1cc(F)c(C(=O)OCc2csc(COc3ccc(F)cc3)n2)cc1[N+](=O)[O-] 814482076 KEMSCNVJIICEIZ-UHFFFAOYSA-N 449.435 4.332 5 20 IIBD Cc1ccc(C)c(OCc2nnc(SCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)o2)c1 849129482 PRFOXLMSJKUJME-UHFFFAOYSA-N 432.433 4.044 5 20 IIBD O=C(Nc1cccc(N2CCOC2=O)c1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 914760303 RZVDEBJCNKYEAQ-UHFFFAOYSA-N 432.436 4.416 5 20 IIBD O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 915598095 MLRFFICGHDKLHM-UHFFFAOYSA-N 442.686 4.153 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1 916475043 MQQMUKGWNGFLHA-UHFFFAOYSA-N 435.436 4.221 5 20 IIBD Cc1cc(C)cc(NC(=O)[C@H](C)OC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 917257852 IBUKWXHPSMVEMV-ZDUSSCGKSA-N 440.374 4.337 5 20 IIBD O=C(CCn1cc(Cl)cn1)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 917428085 DPCSTWOKPRUCID-UHFFFAOYSA-N 449.250 4.346 5 20 IIBD O=C(CN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 918741431 VZMXQXXLXCTOCQ-RKDXNWHRSA-N 433.736 4.249 5 20 IIBD Cc1nc(COc2ccccc2C(=O)OCCN(C)c2ccc([N+](=O)[O-])cc2)cs1 920804716 YKYKVNLXDAYCEK-UHFFFAOYSA-N 427.482 4.232 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)c1ccc(N2CCCC2=O)cc1 920946179 MDEXHJMFCIMRDU-KBPBESRZSA-N 431.876 4.020 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C)nc2c1cnn2Cc1ccc(C)cc1 1248446965 JFDXHQLJAYYJBF-UHFFFAOYSA-N 431.452 4.266 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(F)c(NC(=O)OC(C)(C)C)c2)c1C 1319742080 VDYSDAVNZREZMI-UHFFFAOYSA-N 439.465 4.499 5 20 IIBD CC[C@@H]1Oc2cc([C@H](C)NCc3ccc([N+](=O)[O-])cc3Br)ccc2NC1=O 1325789404 FRTLRHDWKQBDGY-GTNSWQLSSA-N 434.290 4.318 5 20 IIBD Cn1cc(N2CC[C@@H](NCc3ccc(Oc4ccccc4Cl)c([N+](=O)[O-])c3)C2)cn1 1328687655 SVYREDSDTRQSDP-MRXNPFEDSA-N 427.892 4.143 5 20 IIBD O=C(COc1cccc(NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c1)Nc1ccccc1 1339575305 LLRFTHWROYZYOG-UHFFFAOYSA-N 432.436 4.160 5 20 IIBD Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CCC2)cn1 1785748082 IWPDQSLHTWNIGN-UHFFFAOYSA-N 448.479 4.272 5 20 IIBD Cc1cccnc1C(=O)NC1(c2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)cc2)CCC1 1785791967 MCGQIJNNBLJMLL-UHFFFAOYSA-N 444.491 4.289 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)c3cccc(F)n3)CCC2)cc1 1785793565 HRCRUGGINSMCDZ-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])o4)CCC3)cc2)nc1C 1787168068 KBJKYUIEXQALNG-UHFFFAOYSA-N 434.452 4.261 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)Cc4cccc([N+](=O)[O-])c4)CCC3)cc2)cn1 1787297753 AOGAKASYPZKEDI-UHFFFAOYSA-N 444.491 4.289 5 20 IIBD Cc1ncccc1C(=O)Nc1ccc(C2(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)CCC2)cc1 1787320380 IUWOUTBBZRUJQS-UHFFFAOYSA-N 446.463 4.065 5 20 IIBD CC(C)CC(=O)Nc1ccc(C2(NC(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)CCC2)cc1 1787664279 GFZBIOMRIUETBR-UHFFFAOYSA-N 435.484 4.265 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])cc4F)CCC3)cc2)ccn1 1789751212 OLQPKXKCSGBSLT-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3cccc(F)c3[N+](=O)[O-])cc2)CCC1)c1nccs1 1790697984 IATMAZFXXMEYQV-UHFFFAOYSA-N 440.456 4.252 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCC2(CCCN(C(=O)CC3CCCC3)C2)CC1 1808938527 CYSSKLOZSFOPGL-UHFFFAOYSA-N 445.535 4.088 5 20 IIBD Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3ccc([N+](=O)[O-])o3)n[nH]2)c1 1814968418 ZHUXIIWWTZTGRG-RQMBKDMJSA-N 449.467 4.239 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cc([C@@H]2CCCCN2C(=O)CC2CCC2)[nH]n1 1815538573 ADBSJMZKCHGKKX-FQEVSTJZSA-N 439.516 4.133 5 20 IIBD CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)nnc1-c1ccco1 8620605 KNCCZNKHKCLZAV-UHFFFAOYSA-N 441.391 4.216 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NCCc1ccc(F)cc1 14797243 KAWRDXHDYNGSGZ-UHFFFAOYSA-N 444.466 4.488 5 20 IIBD C[C@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)Nc1cccc(Br)c1 15798202 XZSIACQBTPYRRA-VIFPVBQESA-N 427.638 4.195 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1csc(-c2cccc(Cl)c2)n1 17980780 RLMJTIKLMLHKOV-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD CCOc1ccc(C(=O)Nc2nc(-c3cc(OC)ccc3OC)cs2)cc1[N+](=O)[O-] 19005479 MQXBNDRZZSTDDY-UHFFFAOYSA-N 429.454 4.387 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)C(C)(C)Oc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] 22188707 XOILNELEOQHFHW-SFHVURJKSA-N 432.448 4.091 5 20 IIBD CC(C)(C)OC(=O)N1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)sc2C1 22528021 IMGKKDPURWDKGR-UHFFFAOYSA-N 438.893 4.250 5 20 IIBD CN(C)C(=O)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2-c2cccs2)c1 24441809 QFBDNDBOYZKPLF-UHFFFAOYSA-N 425.466 4.043 5 20 IIBD O=C(COC(=O)Cc1csc(-c2ccccc2Cl)n1)Nc1cc([N+](=O)[O-])ccc1F 26674267 LFARUFSGSVWCON-UHFFFAOYSA-N 449.847 4.235 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)Nn2cnc3ccccc32)cc1[N+](=O)[O-] 27045113 QPWVXLBSFLFHPF-UHFFFAOYSA-N 432.461 4.281 5 20 IIBD CC(C)CCSc1ccc(C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)cc1[N+](=O)[O-] 29232159 USMXSTQRFQTQPS-UHFFFAOYSA-N 445.541 4.452 5 20 IIBD COc1cc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c([N+](=O)[O-])cc1OC(F)F 29268563 JHZFVCGLNABLCI-UHFFFAOYSA-N 446.410 4.101 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCCc2ccccc2OC)c([N+](=O)[O-])c1 29334769 JIFZGPVCJRQFBL-UHFFFAOYSA-N 434.448 4.276 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cccc(S(C)(=O)=O)c2)cc1 32994282 JTDWKZKXHUXFMA-UHFFFAOYSA-N 442.449 4.052 5 20 IIBD Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)COc2ccc([N+](=O)[O-])cc2)n1 58981647 MMJHCIBLZYQQTG-UHFFFAOYSA-N 434.374 4.434 5 20 IIBD COc1cc([C@@H](C)NC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)ccc1OC1CCCC1 62154269 NIXWJJVMXHINRY-OAHLLOKOSA-N 441.484 4.049 5 20 IIBD COc1ccc(-c2cnc(CCC(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)o2)cc1 63930207 FFCNLGGEKZQPNK-UHFFFAOYSA-N 433.367 4.431 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCCCN2CCCCCC2)cc1[N+](=O)[O-])c1ccccn1 64693361 LWKFZSNAPTZWEM-GOSISDBHSA-N 425.533 4.159 5 20 IIBD Cc1cc(=O)c(C(=O)Nc2cccc(SC(F)F)c2)nn1-c1ccccc1[N+](=O)[O-] 72091762 BZYKTVYTGXFGJA-UHFFFAOYSA-N 432.408 4.016 5 20 IIBD C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 109217613 CQWUHXYZNUSNJU-CQSZACIVSA-N 438.311 4.013 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(OC(F)(F)F)cc2)ccc1[N+](=O)[O-] 110315044 AGUWCVUMJNRAGE-KRWDZBQOSA-N 437.374 4.045 5 20 IIBD COCCSc1ccc([C@H](C)NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 216838922 UXWVLWGVPYBZKE-HNNXBMFYSA-N 440.525 4.225 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Oc1ccc(N2CCCC2=O)cc1 247304607 GCPSVBINYLCAPJ-UHFFFAOYSA-N 437.374 4.148 5 20 IIBD CNS(=O)(=O)c1ccc(N[C@@H](c2ccc(Cl)cc2)c2cccs2)c([N+](=O)[O-])c1 301277487 PDABQZPTAPSMRF-SFHVURJKSA-N 437.930 4.419 5 20 IIBD CCn1c(Sc2nc(-c3ccncc3)nc3c2CCC3)nnc1-c1ccc([N+](=O)[O-])cc1 301716059 NAFVWTPSUPEATR-UHFFFAOYSA-N 445.508 4.365 5 20 IIBD C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1cccc(C(F)(F)F)c1 303415896 BFIZELGVCJUBBC-RISCZKNCSA-N 441.431 4.157 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1Br 318420698 TZCVUNXJHCCZGX-UHFFFAOYSA-N 428.080 4.092 5 20 IIBD Cc1ccc(-c2ccnn2C)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 410414890 BSMHTDGWRDVQIG-UHFFFAOYSA-N 440.403 4.123 5 20 IIBD C[C@H](NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[C@H](C)c1ccccc1C(F)(F)F 426251943 LSUHFBIBFMDSOP-KBPBESRZSA-N 439.438 4.349 5 20 IIBD C[C@@H]1[C@@H](CO)CCN1C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 427824335 FKLLWOOGQSROLK-GIBKEPBISA-N 437.521 4.365 5 20 IIBD Cc1cc(OCC(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)ccc1[N+](=O)[O-] 430544868 ABVKVHILKFOPAN-UHFFFAOYSA-N 432.436 4.147 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CN(C)c1ccnc2c([N+](=O)[O-])cccc12 432321397 GBGJUDNNCUSRQZ-UHFFFAOYSA-N 429.274 4.289 5 20 IIBD O=C(Cn1ncc(=O)c2ccccc21)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435443288 NFQGLXMVYYAKHN-UHFFFAOYSA-N 438.490 4.156 5 20 IIBD O=[N+]([O-])c1cc2c(c(CS(=O)(=O)Cc3nc(C4CCCCC4)cs3)c1)OCOC2 436091889 JRQULAPFKAPSSK-UHFFFAOYSA-N 438.527 4.081 5 20 IIBD C[C@@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 436155190 RXOKYOIBZUSFIE-HUUCEWRRSA-N 441.522 4.446 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(NC(=O)NC2CC2)cc1 437145464 MKYAOOIWTLFXRN-NSHDSACASA-N 436.390 4.389 5 20 IIBD O=C(Nc1ccsc1Cl)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 438577771 VBBOUBHQVVSSOP-UHFFFAOYSA-N 437.886 4.363 5 20 IIBD Cc1c(CC(=O)NCc2cc(Br)ccc2OC(F)F)cccc1[N+](=O)[O-] 438908668 ATHYGKBLPQBXGB-UHFFFAOYSA-N 429.217 4.126 5 20 IIBD CCC(CC)NC(=O)[C@@H]1CN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c2ccccc2O1 439107743 QJODYIOUKBEKDY-QFIPXVFZSA-N 439.512 4.431 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCc2c([nH]c3c(F)cccc23)C1 439485342 SDEHEQOBPIZDNG-UHFFFAOYSA-N 426.448 4.001 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 439936143 VXVXVSQVELRTCS-UHFFFAOYSA-N 446.891 4.027 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(COC2CCCC2)cc1 440013508 NSFSFXAKUCGWCI-UHFFFAOYSA-N 427.457 4.030 5 20 IIBD CSc1ccc(-c2nsc(NC(=O)c3cc(O)nc4ccc([N+](=O)[O-])cc34)n2)cc1 440472088 JLNSQLXFSATMSU-UHFFFAOYSA-N 439.478 4.341 5 20 IIBD Cc1c(NC(=O)[C@H](C)N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)cccc1[N+](=O)[O-] 443661532 UKTFMZVIEDVYPB-GJZGRUSLSA-N 426.448 4.390 5 20 IIBD O=C(Cc1noc(-c2ccc(Cl)cc2[N+](=O)[O-])n1)Nc1ccccc1C(F)(F)F 445426153 IEWAYBXOJHCLPI-UHFFFAOYSA-N 426.738 4.498 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@@H]1CCCO[C@H]1c1ccccc1 445923079 HBFPJZLBHKHBAJ-JXFKEZNVSA-N 433.302 4.184 5 20 IIBD COc1ccc(Br)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1 446122993 QHHNOCDZHMVWTQ-UHFFFAOYSA-N 444.079 4.310 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(Cc1ccc(Br)cc1)C(C)C 446893297 DXBKMLAOOVGZGC-UHFFFAOYSA-N 448.317 4.350 5 20 IIBD O=C(C1CCC1)N(CCCNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])C1CC1 447676793 DECFSKYPQWMJAF-UHFFFAOYSA-N 436.381 4.237 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(F)c(OC(F)F)cc1-n1cncn1 448483119 GZTRUSZWULULEO-ZDUSSCGKSA-N 449.389 4.123 5 20 IIBD CCCN(CC)C[C@H](C)NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 461544061 KRBHVYSKCNHRAU-HNNXBMFYSA-N 444.498 4.067 5 20 IIBD Cc1cc(N2CCC[C@H](CNC(=O)CC(F)(F)F)C2)c(C(F)(F)F)cc1[N+](=O)[O-] 461880983 GWXSZEZWQURZMB-LLVKDONJSA-N 427.345 4.207 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 462935184 HIHZIURHFWKDBG-SFHVURJKSA-N 431.483 4.223 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(OCc2ncc(-c3ccc(C)cc3)o2)c([N+](=O)[O-])c1 463042523 KEBFNMVXFPPAMD-UHFFFAOYSA-N 445.497 4.168 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)[C@H]1SCCc2sccc21)c1ccccc1[N+](=O)[O-] 463445235 UDZQFAGJSPGJHS-BEFAXECRSA-N 434.539 4.186 5 20 IIBD COc1ccc(-c2csc(CNC(=O)C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)c2)cc1 464031998 OVRLWYXHIKPCEF-UHFFFAOYSA-N 439.493 4.204 5 20 IIBD CC1CCN(c2ccc(C(=O)N3C[C@H](n4cccn4)Cc4ccccc43)cc2[N+](=O)[O-])CC1 464425341 DMZUMCVVFRDQNA-OAQYLSRUSA-N 445.523 4.472 5 20 IIBD COc1cc(CCNC(=O)N2C[C@H](C)C[C@@H]2c2ccccc2F)c([N+](=O)[O-])cc1OC 465604657 QKUFLVCOBWEVAB-AUUYWEPGSA-N 431.464 4.086 5 20 IIBD CC(C)(C(=O)N1CCN(C(=O)c2cc3ccccc3s2)CC1)c1ccc([N+](=O)[O-])cc1 469266321 SFCMCIZDQIIZCP-UHFFFAOYSA-N 437.521 4.072 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C 469451012 WWDDDCANHNKJBJ-INIZCTEOSA-N 426.395 4.047 5 20 IIBD CCOc1cc(C(=O)N[C@H](C)Cc2ccccc2Br)c([N+](=O)[O-])cc1OC 470169472 YJBDZWRSQWNFFU-GFCCVEGCSA-N 437.290 4.126 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N(C)Cc2nccs2)cc1[N+](=O)[O-] 470246101 GGPIQFCRIOEICS-UHFFFAOYSA-N 427.507 4.276 5 20 IIBD CSc1cccc(C(=O)Nc2ccccc2N2CCC(CN(C)C)CC2)c1[N+](=O)[O-] 471235652 SULYGGDMECDFLY-UHFFFAOYSA-N 428.558 4.347 5 20 IIBD COc1cccc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)c2cc(F)ccc2OC)c1 471461825 IOOHNQKPAGEOEO-NRFANRHFSA-N 428.391 4.410 5 20 IIBD COc1cc(C(=O)Nc2cc(Cl)ccc2-c2nc(C3CC3)no2)c([N+](=O)[O-])cc1OC 471489397 UNCVUZPLFJTOIB-UHFFFAOYSA-N 444.831 4.445 5 20 IIBD C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 473617856 MFYVALCNNBDITA-IFHZELBCSA-N 427.429 4.159 5 20 IIBD Cc1nc(NC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] 475304277 PKBBLGYFNPEAJP-RDPSFJRHSA-N 444.491 4.417 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 477495102 QCTRXKFTGMKCSL-UHFFFAOYSA-N 427.411 4.039 5 20 IIBD C[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)c1nc(-c2ccc(Br)cc2)cs1 478499204 DDTPHZFLLOBROF-JTQLQIEISA-N 435.303 4.310 5 20 IIBD COc1ccc(CS(=O)(=O)Cc2nc(-c3ccccc3Cl)cs2)cc1[N+](=O)[O-] 478719406 GHDPMHAMWBMJNZ-UHFFFAOYSA-N 438.914 4.495 5 20 IIBD COCCNc1ccccc1NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 480809526 CISIEWOMYJBNGG-IRXDYDNUSA-N 426.517 4.388 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 481397611 BXWGKSZYDUHTOP-INIZCTEOSA-N 443.479 4.416 5 20 IIBD Cc1sc2nc(CS[C@@H](C)C(=O)NCc3cccc([N+](=O)[O-])c3C)nc(O)c2c1C 481472296 CFRPUTGEONJNPL-ZDUSSCGKSA-N 446.554 4.168 5 20 IIBD O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O)c1cccc([N+](=O)[O-])c1 481970681 YSPMRIXACXVMSX-UHFFFAOYSA-N 447.856 4.007 5 20 IIBD Cc1cc(OCC(=O)Nc2cnn(-c3ccc(F)cc3)c2C(F)(F)F)ccc1[N+](=O)[O-] 484855900 IRQOERYOOBBHCE-UHFFFAOYSA-N 438.337 4.264 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H](c2ccccc2)C(F)(F)F)c(C(F)(F)F)c1 485917420 CAPQEQBEQKTGGV-CYBMUJFWSA-N 442.337 4.238 5 20 IIBD C/C(=C/c1cccc([N+](=O)[O-])c1)CN1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 486455270 AXQZELSSBRJVAS-RSAHCEPHSA-N 431.496 4.497 5 20 IIBD Cc1ccc(-c2nc(CC(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)cs2)o1 486703631 XYRLJOQUEXBIKZ-UHFFFAOYSA-N 425.388 4.497 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CC[C@@H](OCc2ccncc2)C1 486726661 VWXQIXIFIMKUSN-OAQYLSRUSA-N 432.480 4.033 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CN2CCCCC2=O)CC1 486777644 JRZOXAGQQWTHSL-UHFFFAOYSA-N 433.574 4.208 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@H](C)[C@H](OC)c2ccccc2Cl)c(C)c([N+](=O)[O-])c1 486884288 UHYIUQZVEKWDRR-XIKOKIGWSA-N 435.864 4.241 5 20 IIBD Cc1cc(Br)cc(Cl)c1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 488596663 XZXPLHXNRUVBDM-UHFFFAOYSA-N 436.653 4.152 5 20 IIBD C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)cc1Cl 489194974 JBOHAYZHJOTSEI-GFCCVEGCSA-N 441.875 4.391 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCN(c3ccccc3OC(F)F)C2)cc1[N+](=O)[O-] 489555714 RZFPILRNSABWPV-GOEBONIOSA-N 434.443 4.144 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)c([N+](=O)[O-])cc1OC 490137622 WFYAOCOAVKYEKH-UHFFFAOYSA-N 439.424 4.408 5 20 IIBD COc1cc(CN2CCC[C@H](N3[C@@H](C)CC[C@H]3C)C2)c([N+](=O)[O-])cc1OCC(F)F 491065236 KAJASNBOBSZVQS-UXLLHSPISA-N 427.492 4.085 5 20 IIBD CC1CCN(C[C@H]2CCCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)C2)CC1 491514163 MFCUZFLDFPKERM-OAHLLOKOSA-N 426.464 4.172 5 20 IIBD CCOc1cc(CN2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)ccc1[N+](=O)[O-] 492697882 SAVCGPUBXMLYDW-QGZVFWFLSA-N 430.480 4.166 5 20 IIBD CC(C)NC(=O)c1ccc(NC[C@H](CO)Cc2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 493889290 UBMHMSOAIFKJCT-CQSZACIVSA-N 439.434 4.015 5 20 IIBD COc1cc(CCNC(=O)N2C[C@@H](c3ccc(C)cc3)C[C@H]2C)c([N+](=O)[O-])cc1OC 494232473 AOYKAOAYOUDRRR-APWZRJJASA-N 427.501 4.051 5 20 IIBD Cn1ccnc1[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(F)c1 496380356 PZSIIRNHBVPLJD-GOSISDBHSA-N 437.456 4.110 5 20 IIBD CCc1ccc(C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)cc1S(C)(=O)=O 499131796 GIUNJLPJZSVOHC-UHFFFAOYSA-N 445.522 4.245 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1(Cc2ccc(F)cc2)CCOCC1 499214664 PNTVUURXPMEFFI-AWEZNQCLSA-N 436.867 4.063 5 20 IIBD C[C@H](N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)[C@H]1CCOC1 500221322 VZHKKPDHCYPVRG-ZUEVXXBESA-N 448.317 4.052 5 20 IIBD O=C(N[C@@H](COc1ccccc1)c1ccccc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 502344058 UDYDXHYUCMWVDW-NRFANRHFSA-N 428.448 4.331 5 20 IIBD Cc1cc(NC(=O)Cc2ccc(Br)c(F)c2)n(-c2ccc([N+](=O)[O-])cc2)n1 502998676 HKZABLSALUXGOB-UHFFFAOYSA-N 433.237 4.172 5 20 IIBD C[C@@H](c1ccccc1Br)N(C)C(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 503634593 RIWTXFWGVYMOMI-NSHDSACASA-N 430.258 4.444 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2cnn(Cc3ccncc3)c2)cc1[N+](=O)[O-])c1ccccn1 503771438 IGHZYYAHICVGAW-MRXNPFEDSA-N 443.467 4.055 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 506359256 XFQYFFYASOLPFQ-UHFFFAOYSA-N 425.828 4.295 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccc(OCCN(C)C)cc2)cc1[N+](=O)[O-])c1ccccn1 509024810 YXWHNMSGIVPVJD-QGZVFWFLSA-N 449.511 4.356 5 20 IIBD C[C@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccccc1C(F)(F)F 509082746 WYRKIPDJLVWVJP-LBPRGKRZSA-N 437.374 4.179 5 20 IIBD CCOc1ccc(C2=CCN(CCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])CC2)cc1 509432504 QKSKHOPKDWZITR-UHFFFAOYSA-N 425.485 4.120 5 20 IIBD CCOc1ccc(C2=CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3OC)CC2)cc1 509448626 FDXFQFNINRDUEP-UHFFFAOYSA-N 425.485 4.120 5 20 IIBD O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)C1 509984300 HAODPKQDFHOIRW-QGZVFWFLSA-N 427.888 4.080 5 20 IIBD COC(=O)C[C@H](C)NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 510121729 XGYOENWVNXPATR-QXPQOBGOSA-N 439.493 4.203 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 510849136 CYNYVTHVKKNMGH-UHFFFAOYSA-N 448.262 4.125 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc3nc(-c4cccc(F)c4)[nH]c3c2)c([N+](=O)[O-])c1 511683131 QYQYLHWOANQCOZ-UHFFFAOYSA-N 442.428 4.087 5 20 IIBD Cc1ccc(S(=O)(=O)N(Cc2cccc(Br)c2)C(C)C)cc1[N+](=O)[O-] 512036736 LIAZJXZYXMRXPN-UHFFFAOYSA-N 427.320 4.265 5 20 IIBD O=C(CCc1cscn1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 512234867 OXWVVNQDIXFBQP-UHFFFAOYSA-N 442.566 4.057 5 20 IIBD C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(NC(=O)Nc2ccccc2)cc1 514161359 ZLQDNIHNYGOGJF-INIZCTEOSA-N 434.452 4.495 5 20 IIBD CCCCCN(C(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1)[C@@H](C)CCC 516824123 YXBHHPNKZGFWBL-SFHVURJKSA-N 432.565 4.084 5 20 IIBD COc1ccc2oc([C@@H](C)NC(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)c(C)c2c1 518030287 PCBNPURHJWMEEO-MRXNPFEDSA-N 438.484 4.251 5 20 IIBD CCOc1ccccc1Oc1ccc(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)cn1 518403772 VRSOEAQEXGXRFI-UHFFFAOYSA-N 436.468 4.223 5 20 IIBD Cc1cccc(CN(CC(C)C)C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c1 518907104 LTQVAPNITLAEOI-SFHVURJKSA-N 429.542 4.254 5 20 IIBD COc1cc(C(=O)N2CC[C@](F)(c3ccccc3F)C2)c([N+](=O)[O-])cc1OC(F)F 519187066 JZYXAQYNQFJDCF-LJQANCHMSA-N 428.338 4.055 5 20 IIBD COc1ccc(CNC(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2C)cc1[N+](=O)[O-] 520050177 PYURYAOTFRUMKQ-MRXNPFEDSA-N 440.500 4.248 5 20 IIBD CCN(C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H](c1cccnc1)c1ccc(F)cc1F 522175775 AVBDARXNQDTJOH-HSZRJFAPSA-N 441.434 4.457 5 20 IIBD Cc1c(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] 523714964 ZQEZKPZTGRVLFM-DNVCBOLYSA-N 435.402 4.470 5 20 IIBD Cc1nn(CCC(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)c(C)c1[N+](=O)[O-] 523997221 QMCRBOMCRJRWIK-UHFFFAOYSA-N 429.864 4.064 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCc2ccccc2NC(C)=O)c([N+](=O)[O-])c1 525707268 NGSZJSLLEJTNCV-UHFFFAOYSA-N 447.447 4.183 5 20 IIBD COc1ccc(C(NC(=O)COc2cccc(C)c2[N+](=O)[O-])c2ccc(OC)cc2)cc1 534392500 GWVIGFIJVAOLRK-UHFFFAOYSA-N 436.464 4.205 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 535381255 BTUMXHYORLWDNN-SCLBCKFNSA-N 446.410 4.381 5 20 IIBD COc1ccc(CN2CC[C@H](C)[C@H](n3ccnc3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 535852377 VZBJPBBKZHWFGY-PGRDOPGGSA-N 436.512 4.462 5 20 IIBD COc1ccc(NC(=O)CSCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c(OC)c1 536304099 NUSFFHPUEPFPNY-UHFFFAOYSA-N 429.454 4.139 5 20 IIBD COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 536698213 FPCTVHIQCMYFNC-UHFFFAOYSA-N 439.902 4.319 5 20 IIBD CCC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c1 537054901 BDEIGZBEKSWUOF-JKSUJKDBSA-N 448.545 4.086 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 537271784 VKOHYZKVAVWOBM-VBKZILBWSA-N 435.883 4.209 5 20 IIBD Cn1cc(CN2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 537620807 XQHBNSCMCOJZEO-HXUWFJFHSA-N 444.438 4.170 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ncnc4cccc([N+](=O)[O-])c34)cc2)cc1 541579182 RNEJJWFLRKBPPT-UHFFFAOYSA-N 436.449 4.440 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 542081688 ZQFMFJWGYRVQHD-FQEVSTJZSA-N 439.855 4.101 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)NCc1nc(C)c(-c2ccc(Cl)cc2)o1 542409498 WPPATHOZENCVNT-UHFFFAOYSA-N 430.848 4.220 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 544106897 HTGLJPQOCIOUQD-UHFFFAOYSA-N 448.523 4.331 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CN[C@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 544383886 NXSHGJSQSLGZBS-GFCCVEGCSA-N 427.379 4.009 5 20 IIBD COc1cccc(OC)c1OCc1noc(Cn2c3ccccc3c(=O)c3ccccc32)n1 545080145 RCTIMTBKKTXYGQ-UHFFFAOYSA-N 443.459 4.182 5 20 IIBD O=[N+]([O-])c1ccccc1-n1ccc(-c2nc(CCc3ccc(OC(F)F)cc3)no2)n1 545753279 XQHHBRKDNBDPCM-UHFFFAOYSA-N 427.367 4.217 5 20 IIBD C[C@H](c1nc(-c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)no1)n1nnnc1C(C)(C)C 545782063 VEBYYTPZRMUSFJ-CYBMUJFWSA-N 435.444 4.330 5 20 IIBD COC(=O)c1cncc(C(=O)N(CC(C)C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)c1 546050839 ZLYSTFATFAKFIJ-UHFFFAOYSA-N 440.481 4.203 5 20 IIBD O=[N+]([O-])c1ccc2nc(O)cc(-c3nc(CCc4ccccc4Br)no3)c2c1 546457608 QWBKUHUGXWASBP-UHFFFAOYSA-N 441.241 4.446 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1OCCc1nc(-c2cccc(OCC(F)(F)F)n2)no1 547178856 ZHDHACMXQKLSCM-UHFFFAOYSA-N 444.753 4.256 5 20 IIBD O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1ncon1 552180416 RVVHCWYDBNRAKV-QGZVFWFLSA-N 427.848 4.221 5 20 IIBD Cc1c(Cl)cccc1N1CCCN(C(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)CC1 552623240 FUDMOFRZBSTUCL-UHFFFAOYSA-N 440.887 4.163 5 20 IIBD CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cc1Br)Oc1cc(F)cc(F)c1 552719951 DEEVJTBLVNPUPY-UHFFFAOYSA-N 429.217 4.223 5 20 IIBD CC[C@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 552880522 KGIBHWHREVRBTQ-JTQLQIEISA-N 429.292 4.317 5 20 IIBD CCc1noc(C)c1CNc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] 555207419 AIFQCJNVWJLNSC-UHFFFAOYSA-N 444.513 4.483 5 20 IIBD CCN(CCO)C(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 558041520 OZAATWGNPCURJX-OBGWFSINSA-N 431.492 4.474 5 20 IIBD O=C1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C2(CCC2)N1 566394680 WCOBACDSXSEUKA-SFHVURJKSA-N 445.928 4.331 5 20 IIBD CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1Cl 566774458 MDVIESXOTUOQSN-ZDUSSCGKSA-N 439.921 4.021 5 20 IIBD CNC(=O)c1cc(Oc2cccc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])c2)ccn1 567281316 SDHYIORENKERJC-UHFFFAOYSA-N 426.816 4.047 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)c1Br 569889398 MQYWMEOBVWDHFZ-AWEZNQCLSA-N 444.232 4.240 5 20 IIBD O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 574643940 FEKQKFJVWDZKTI-JOCHJYFZSA-N 439.487 4.273 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccc(COCc2ccccc2)cc1 574682315 QNXBUIHURIKHEA-UHFFFAOYSA-N 447.491 4.129 5 20 IIBD O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCCc2occc2C1 575951306 HORCPXCGWYRQGF-UHFFFAOYSA-N 437.418 4.398 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 581102485 MWBVRCVMIMHJHM-UHFFFAOYSA-N 435.402 4.306 5 20 IIBD COCC[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 585740214 NIBAKRYGXBHYDU-QGZVFWFLSA-N 433.313 4.099 5 20 IIBD CCCCCOc1ccc([C@H](C)NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1OC 603773163 ZCZUOBGAJYCUOG-HNNXBMFYSA-N 444.484 4.435 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(NC(=O)c2ccccn2)c1 604006612 ACTKHXRYEQRGCX-HNNXBMFYSA-N 436.493 4.039 5 20 IIBD COc1cccc2c1OCC[C@H]2NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 608778247 NOTNLRDIASSMHO-LJQANCHMSA-N 433.464 4.469 5 20 IIBD COc1cccc2c1OCC[C@@H]2N=c1c([N+](=O)[O-])c[nH]c2ccc(Br)cc12 608779522 ZBTTVODHLSCIRA-HNNXBMFYSA-N 430.258 4.272 5 20 IIBD O=C(N[C@@H]1C[C@@H]1c1cccc(Br)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 608810307 ZKHNLHOUVGKNJD-IAGOWNOFSA-N 430.302 4.243 5 20 IIBD CCOc1ccc([C@H](NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 608876275 ITUADKCFMJJSRA-UZUQRXQVSA-N 447.491 4.018 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)cc1[N+](=O)[O-] 608898032 DEJQYBVVCMBQMQ-UHFFFAOYSA-N 447.894 4.283 5 20 IIBD CC(C)c1noc2nc(-c3ccco3)cc(C(=O)NCCNc3ccc([N+](=O)[O-])cc3)c12 609023101 HZUQNXBOMMXLPF-UHFFFAOYSA-N 435.440 4.356 5 20 IIBD Cc1nn(C)c(C(=O)Nc2cccc(NC(=O)Nc3cccc4c3CCCC4)c2)c1[N+](=O)[O-] 609428325 OIXXUAMWHPBBIM-UHFFFAOYSA-N 448.483 4.412 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCS[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 609823089 BWCBDFZWOFFGQS-HZPDHXFCSA-N 435.571 4.140 5 20 IIBD CCNC(=O)c1ccc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cc1 609855482 RTEMGWJJNHVUQG-UHFFFAOYSA-N 448.266 4.089 5 20 IIBD COc1ccc(Cl)cc1C1(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCOCC1 610042306 RYKFIAICDAWVPB-UHFFFAOYSA-N 446.931 4.399 5 20 IIBD COc1cc(C(=O)NC[C@@H](C)c2cccc(C)c2)c([N+](=O)[O-])cc1OCc1cscn1 610156076 QTTFUTKTXFBYLQ-OAHLLOKOSA-N 441.509 4.481 5 20 IIBD COc1ccc(Br)cc1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 610305616 BDZWCRHYFKLKCN-UHFFFAOYSA-N 435.274 4.050 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2c(C(=O)O)sc3ccccc23)cc1SC 610852690 WKXNFSMLBHWPPR-UHFFFAOYSA-N 432.479 4.168 5 20 IIBD COc1cccc(CC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)CC2)c1 612335119 JYHWNEZQCXARCP-UHFFFAOYSA-N 433.302 4.461 5 20 IIBD Cc1nn(CCC(=O)O[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)c(C)c1[N+](=O)[O-] 726648082 DOZURFJPJZZZHH-QGZVFWFLSA-N 436.468 4.036 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)OCc2ccccc2C(F)(F)F)ccc1[N+](=O)[O-] 726675894 XBHXBDVIGFIJGP-SFHVURJKSA-N 436.386 4.270 5 20 IIBD Cc1cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])c(F)c2)c(C)n1Cc1ccc(F)cc1 728154448 KMBRBGIDGHWRSC-UHFFFAOYSA-N 428.391 4.379 5 20 IIBD CC1CCN(c2ccc(C(=O)O[C@@H](C)C(=O)Nc3cccc(F)c3)cc2[N+](=O)[O-])CC1 728947801 DWDICOFCYJVPMY-HNNXBMFYSA-N 429.448 4.154 5 20 IIBD c1cnc(N2CCN(CCCCNCc3c4ccccc4cc4ccccc34)CC2)nc1 729680053 XGESMJGCBUEPCG-UHFFFAOYSA-N 425.580 4.475 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@@H](Sc1ccc(F)cc1F)c1ccccc1 730074479 LQLPJZAYZBROID-IBGZPJMESA-N 433.436 4.455 5 20 IIBD CCN(CC)C(=O)C1=C(C)N(Cc2cccs2)C(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 732011493 OPOGFPCLNBKGQL-IBGZPJMESA-N 428.514 4.065 5 20 IIBD O=C(N[C@H](c1ccccc1)C1CCOCC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 734347199 DZMHJBKMHLOLMW-LJQANCHMSA-N 438.402 4.434 5 20 IIBD Nn1c(SCc2ccc(Cl)cc2[N+](=O)[O-])nnc1-c1ccc(OC(F)F)cc1 734752914 UWLHLNOAPDYVMC-UHFFFAOYSA-N 427.820 4.114 5 20 IIBD CCc1c(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1Cc1ccccc1 735444652 ZVICLUVBJZEALQ-UHFFFAOYSA-N 432.436 4.414 5 20 IIBD CN1C(=O)C[C@@H](COC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@H]1c1cccc(Cl)c1 737383430 YXOHTBQPMKZSKV-XOBRGWDASA-N 428.828 4.371 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)OCCCc2ccc(Cl)cc2)cc1[N+](=O)[O-] 740944933 HXJQGSBFQCLWRJ-UHFFFAOYSA-N 432.889 4.318 5 20 IIBD COc1ccc(CNC(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1[N+](=O)[O-] 742566880 LBSSQWNOISTAQE-FOIQADDNSA-N 443.500 4.122 5 20 IIBD CCCCCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 742599207 FHUGMHQWPRASKE-CQSZACIVSA-N 429.439 4.162 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2Cl)c([N+](=O)[O-])cc1OC(F)F 744535123 VQNSQXORMOAPFD-VIFPVBQESA-N 444.774 4.042 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 746270838 KNDUKTZYODPQMB-WMZHIEFXSA-N 441.503 4.453 5 20 IIBD O=c1c2ccccc2nc(SCc2cc(Cl)ccc2[N+](=O)[O-])n1C[C@H]1CCCO1 746388523 BURQKAYXJYOJFM-OAHLLOKOSA-N 431.901 4.429 5 20 IIBD C[C@@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)Nc1cc(F)ccc1F 747957876 DVQDYAVOIKDPNU-SNVBAGLBSA-N 433.392 4.181 5 20 IIBD CC(C)[C@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N1C[C@H](C)C[C@@H](C)C1 747963678 YPLKBNVTDJDSGQ-CLCXKQKWSA-N 445.541 4.404 5 20 IIBD Cc1c(C(=O)N2CCC(Oc3ccc(F)cc3F)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748618979 AAZFDHMIKZVWMC-UHFFFAOYSA-N 435.383 4.082 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C1CCC(NC(=O)OC(C)(C)C)CC1 749443796 SHIVVPOZKQYTAI-FHERZECASA-N 437.562 4.370 5 20 IIBD O=[N+]([O-])c1ccc(NC(=S)Nc2ccc(CCn3nnc(-c4ccccc4)n3)cc2)cc1 749782302 MSPLMTNVUXOQFY-UHFFFAOYSA-N 445.508 4.300 5 20 IIBD Cc1nc(COC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cs1 750485550 QTUHAEAWYWWFEE-UHFFFAOYSA-N 434.477 4.498 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC1CCC(N2CCCCC2)CC1 750865358 DOXKYKUNMQGDEG-UHFFFAOYSA-N 442.482 4.329 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N2CCCCC[C@H]2C[C@H](O)c2ccccc2)c([N+](=O)[O-])c1 751258052 KEUPVNYMGQCFTF-REWPJTCUSA-N 448.523 4.432 5 20 IIBD O=C(COC(=O)CCSc1ccnc2cc(Cl)ccc12)Nc1ccccc1[N+](=O)[O-] 751723421 CIKJMNNYWZFRED-UHFFFAOYSA-N 445.884 4.461 5 20 IIBD O=C(COC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)Nc1ccccc1[N+](=O)[O-] 752201039 IRDJURLRHLHTAE-UHFFFAOYSA-N 435.314 4.064 5 20 IIBD COc1ccc(NC(=O)[C@@H](OC(=O)c2c(F)ccc([N+](=O)[O-])c2F)c2ccccc2)cc1 752568860 UCIOPYNSQLCVPS-FQEVSTJZSA-N 442.374 4.418 5 20 IIBD Cc1c(C(=O)N[C@H](C)Cc2cc(Br)ccc2F)cc([N+](=O)[O-])cc1[N+](=O)[O-] 755152991 XQAIEZFANIUSDS-SECBINFHSA-N 440.225 4.074 5 20 IIBD CN(Cc1cc(Br)ccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 755487988 IUMLTDDNJRQUDT-UHFFFAOYSA-N 431.645 4.187 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)c2ccc(OC)c(Cl)c2)cc1OC 758368119 SIAARUCGZKUKPT-NSHDSACASA-N 437.832 4.092 5 20 IIBD COc1ccccc1[C@@H](OC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccccn1 759610486 VAHQIXNDNLRXOF-JOCHJYFZSA-N 430.420 4.131 5 20 IIBD O=C(Cc1csc(Cc2ccccc2)n1)O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 759948304 MXTXIZHJVNSSOU-QZTJIDSGSA-N 426.498 4.108 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N(CCO)Cc1ccc(Cl)c(Cl)c1 760856473 ZBSPIZJBOUWESF-UHFFFAOYSA-N 448.100 4.299 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CN(C)Cc1ccc([N+](=O)[O-])c(Cl)c1 761505915 IJEKUPPRYAWQEG-UHFFFAOYSA-N 426.698 4.390 5 20 IIBD Cc1ccc(Oc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc34)cc2)nc1 766370089 VNPVBPBARNDGNP-UHFFFAOYSA-N 436.449 4.440 5 20 IIBD Cc1cc(Br)c(F)cc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 771233222 OCTIDNGEVTUPPF-UHFFFAOYSA-N 437.269 4.159 5 20 IIBD COc1c(C)cc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1C 773650316 VWMFMMICNXSXFW-GFCCVEGCSA-N 440.374 4.423 5 20 IIBD Cc1nn(C)cc1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 773876557 BMSTVNDCORKTBO-UHFFFAOYSA-N 447.539 4.026 5 20 IIBD Cc1ccc(-c2csc(NC(=O)c3scnc3Br)n2)cc1[N+](=O)[O-] 775611831 ALJXCPGXKDZCGS-UHFFFAOYSA-N 425.289 4.498 5 20 IIBD O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1cccc([N+](=O)[O-])c1Br 782165823 DNUAIFSRKVPRIZ-UHFFFAOYSA-N 432.274 4.236 5 20 IIBD CSc1nc2ccc(NC(=O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc2s1 783299748 VQZWPYQRPNWYQP-UHFFFAOYSA-N 442.522 4.056 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N[C@@H](C)C(C)(C)c2ccccc2)cc1[N+](=O)[O-] 784129508 IYOAISFWPCUUGA-ZDUSSCGKSA-N 448.317 4.087 5 20 IIBD CN(C)c1ccc(COC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1[N+](=O)[O-] 784492682 DJVVTWPOEWTMLX-UHFFFAOYSA-N 430.848 4.040 5 20 IIBD C[C@@H](Cc1ccccc1)NC(=S)/C(=C(/O)c1cccc([N+](=O)[O-])c1)[n+]1cccc(O)c1 786036688 BRLNYEVWKSPWNO-INIZCTEOSA-O 436.513 4.020 5 20 IIBD O=C(Oc1ccc(F)c(C(F)(F)F)c1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 786657419 UFSRMPXUHFNZGB-LBPRGKRZSA-N 432.351 4.024 5 20 IIBD CC(C)(CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 787908192 LCUWTOQVMKIOHS-UHFFFAOYSA-N 443.809 4.300 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc(C(F)(F)F)cnc1Cl 789014555 RRBHHMHCBAPOKV-UHFFFAOYSA-N 428.710 4.069 5 20 IIBD O=C(c1cc(F)ccc1F)C1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 790538396 IIBYKVPKPFYNJR-UHFFFAOYSA-N 440.805 4.330 5 20 IIBD CCOc1cc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c([N+](=O)[O-])cc1OCC 790626231 ACICTWQRGMKQJG-UHFFFAOYSA-N 430.417 4.127 5 20 IIBD COCCCOC1(COC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CCCC1 791453198 RYQSAMPRJZGMFJ-UHFFFAOYSA-N 445.462 4.482 5 20 IIBD COc1cc([N+](=O)[O-])ccc1COC(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1 797472873 RCGXZOKARZWTLE-UHFFFAOYSA-N 444.465 4.030 5 20 IIBD CC(C)(C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)c1csc(-c2cccs2)n1 799930196 NWBFWTSEPJDAKX-UHFFFAOYSA-N 431.495 4.239 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C(C)(C)C1 800912308 UUBOMXQNUWHFDQ-OAHLLOKOSA-N 426.901 4.405 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(NS(=O)(=O)C2=Cc3cc(Br)ccc3OC2)c1 800930996 WGHSFGVATFFYMH-UHFFFAOYSA-N 445.678 4.186 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)OC[C@H]1CCN(C(=O)c2ccccc2)C1 801304726 NDIIDTUEPHTCRL-INIZCTEOSA-N 428.510 4.416 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 801981470 PHRPTMOWZVBPKR-UHFFFAOYSA-N 429.345 4.436 5 20 IIBD Cn1c(C2CC2)nc2cc(CNC(=O)c3cc(F)cc([N+](=O)[O-])c3Br)ccc21 808036942 HMPGPEVYRCYFDD-UHFFFAOYSA-N 447.264 4.191 5 20 IIBD CN(C)C(=O)Sc1cc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])ccc1Cl 808116642 CUNHLAFNKCFXSC-UHFFFAOYSA-N 443.934 4.006 5 20 IIBD O=[N+]([O-])c1ccc(N2CCCCC2)c(-c2nc(Cc3nc(-c4ccccc4)n[nH]3)no2)c1 809378755 REDKQUHQAIFVDK-UHFFFAOYSA-N 431.456 4.011 5 20 IIBD O=C1C[C@@H](c2noc(-c3cc([N+](=O)[O-])ccc3N3CCCCC3)n2)CN1c1ccccc1 809414584 YKFGUCGWFOMXPT-MRXNPFEDSA-N 433.468 4.156 5 20 IIBD CC(C)c1ccc(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)nc1 810169044 QNNRLHRCWHUZBI-LJQANCHMSA-N 425.485 4.355 5 20 IIBD COc1ccc(C[C@@](C)(O)CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1OC 811515670 CIANJKVCFAEMRF-LJQANCHMSA-N 429.300 4.002 5 20 IIBD C[C@H](Cc1noc(-c2cc([N+](=O)[O-])ccc2C(F)(F)F)n1)N(C)C(=O)OC(C)(C)C 815675752 SYAJKKOWHSETGE-SNVBAGLBSA-N 430.383 4.462 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC2(CCN(Cc3ccccc3)CC2)C1 817101846 ODLJJQJBDJQXEH-UHFFFAOYSA-N 448.567 4.323 5 20 IIBD Cc1cc(NC(=O)[C@H](C)OC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)ccc1Br 857830740 CXKJWVLHUNBUBT-NSHDSACASA-N 446.257 4.331 5 20 IIBD CC(C)[C@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1F 877067525 JRHIGAHDJBNTOU-FQEVSTJZSA-N 429.448 4.154 5 20 IIBD O=C(COC(=O)c1cc(Cl)ccc1Br)Nc1ccc(Cl)cc1[N+](=O)[O-] 913345078 RRUHTPMOALFCAT-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1c(Br)cccc1[N+](=O)[O-] 915668446 PZXSUWCRTRTUNZ-UHFFFAOYSA-N 429.057 4.422 5 20 IIBD CN(c1ccccc1)c1ccc(C(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cn1 919211569 ZDZHMRZLMQIABJ-UHFFFAOYSA-N 440.843 4.207 5 20 IIBD Cc1cc(C)cc([C@H](OC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C(F)(F)F)c1 920278466 FRIXNFIOARSFRV-INIZCTEOSA-N 431.388 4.076 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCc3cccc(Cl)c32)cc1Br 920756991 KQYQEJKQMZHULK-UHFFFAOYSA-N 431.695 4.152 5 20 IIBD O=C1OC(c2cccc(Br)c2)=N/C1=C/c1cc([N+](=O)[O-])ccc1OC(F)F 920831885 HFUXUFVTUBETRA-MDWZMJQESA-N 439.168 4.303 5 20 IIBD COCCOc1c(Cl)cccc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 921153850 NLSMTQGUITUBEG-UHFFFAOYSA-N 429.654 4.288 5 20 IIBD C[C@H](OC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)C(=O)NCc1ccco1 1116300618 CVMXVHAWRNJCFN-AWEZNQCLSA-N 426.450 4.201 5 20 IIBD Cc1c(Br)cc(C(=O)NC2CCN(c3cccc(F)c3)CC2)cc1[N+](=O)[O-] 1116367531 IDENWPWGHIFUBE-UHFFFAOYSA-N 436.281 4.204 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CCc2ccc([N+](=O)[O-])cc2C1 1253831786 LQTXRGUNLHUCOZ-UHFFFAOYSA-N 440.637 4.117 5 20 IIBD COCCn1c(Cc2cccc3ccccc23)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1324245510 BGNWPNBZRSLHQK-UHFFFAOYSA-N 443.507 4.139 5 20 IIBD CC1(C(=O)N2CCC3(CCCN(C(=O)Cc4cccc([N+](=O)[O-])c4)C3)CC2)CCCCC1 1804752566 AIJSVADWUVVGOQ-UHFFFAOYSA-N 441.572 4.339 5 20 IIBD CC1(C(=O)N2CCC3(CCCN(C(=O)/C=C/c4ccc([N+](=O)[O-])o4)C3)CC2)CCCC1 1805680661 YVALOPAJDUTCDQ-FNORWQNLSA-N 429.517 4.013 5 20 IIBD Cc1ccc(C(=O)N2CCC3(CCCN(C(=O)/C=C/c4ccc([N+](=O)[O-])o4)C3)CC2)cc1 1805682974 OOSKAFRNDPJAMT-VQHVLOKHSA-N 437.496 4.054 5 20 IIBD Cc1ccccc1C(=O)N1CCCC12CN(C(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 1844890049 ZHUAAUMOTSIVCP-UHFFFAOYSA-N 435.505 4.249 5 20 IIBD CC(C)Cc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cccc(F)c3[N+](=O)[O-])C2)cc1 1845406324 NJFNYICABPFHME-UHFFFAOYSA-N 439.487 4.063 5 20 IIBD O=C(COC(=O)c1cccc(Br)c1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 10630094 WEJUXWVBFAHVFW-UHFFFAOYSA-N 447.163 4.172 5 20 IIBD COc1cc(Cn2cc(C(F)(F)F)cc(Cl)c2=O)c([N+](=O)[O-])cc1OC(F)F 11272531 PPFYLFATFORYOG-UHFFFAOYSA-N 428.697 4.087 5 20 IIBD COc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc(Cl)c1OCC(C)C 14667363 RDOJPANVHRPARY-UHFFFAOYSA-N 447.919 4.254 5 20 IIBD O=C(OCc1nc2ccccc2n1C(F)F)c1ccc(Br)c([N+](=O)[O-])c1 14901846 VRVPYQPYSRLQMW-UHFFFAOYSA-N 426.173 4.459 5 20 IIBD CNc1ccc(C(=O)N[C@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)cc1[N+](=O)[O-] 18110264 XPEJHWVBWGDYQG-JOCHJYFZSA-N 435.480 4.368 5 20 IIBD CCn1c(SCc2cc(=O)n3c(C)cccc3n2)nc2cc3ccccc3cc2c1=O 22177711 CRQNBXJTCOIMHS-UHFFFAOYSA-N 428.517 4.178 5 20 IIBD CC(=O)NCc1ccc(-c2nc(NC(=O)c3cccc(C)c3[N+](=O)[O-])sc2C)s1 30158495 ZVUKKQYUIUSKFS-UHFFFAOYSA-N 430.511 4.285 5 20 IIBD Cc1nc(CSc2ccc(C(=O)NCCNc3ccc([N+](=O)[O-])cc3)cc2)cs1 33179997 LJJBEHUFANRWJS-UHFFFAOYSA-N 428.539 4.494 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1C 60507844 NNSZFLUXHOHYTO-UHFFFAOYSA-N 436.917 4.149 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)cc1[N+](=O)[O-] 60525073 IPATXFUWVGBUPP-UHFFFAOYSA-N 431.514 4.109 5 20 IIBD COCCN(C(=O)CCc1ccc(F)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 60918066 GGSWDSCBZJKSGK-UHFFFAOYSA-N 429.473 4.470 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)cc1[N+](=O)[O-] 72045209 AZGUNYSYEIMLCX-UHFFFAOYSA-N 433.873 4.331 5 20 IIBD O=C(c1ccc(-c2ccc(F)cc2)s1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 117055978 KMYRXSDNLSWYDE-UHFFFAOYSA-N 445.497 4.122 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NC[C@@H]1CCCO[C@@H]1c1ccccc1 301267773 UQEUBYICFCDVST-KBXCAEBGSA-N 426.441 4.171 5 20 IIBD O=c1c(Cl)c(N2CCS[C@@H](c3ccccc3)C2)cnn1-c1ccc([N+](=O)[O-])cc1 301776962 GXJBCEBZFJUXQX-GOSISDBHSA-N 428.901 4.089 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1COc2cc(F)c(Br)cc21 409787317 VYSXWQABGXTNPI-AWEZNQCLSA-N 444.644 4.083 5 20 IIBD Cc1cc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)ccc1Oc1ccncc1 427257021 OOLOJJRQFGXSRF-UHFFFAOYSA-N 448.479 4.466 5 20 IIBD COC(=O)c1cc(C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)cc([N+](=O)[O-])c1 427456915 RLUYLBVYVLFNSE-UHFFFAOYSA-N 425.441 4.153 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 431098649 HFIJDYIKVCFLQY-UHFFFAOYSA-N 449.916 4.141 5 20 IIBD COC(=O)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C)c1ccc(F)cc1 434304047 CKCUZXMZIKDBMN-GOSISDBHSA-N 434.489 4.169 5 20 IIBD O=C(NCc1ccccc1CN1CCCC1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 435935669 DOKBQAGUFBEFJS-UHFFFAOYSA-N 429.495 4.346 5 20 IIBD C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCc2ccccc2C1 436087728 DOVPSMNSOVVVLZ-HNNXBMFYSA-N 447.485 4.136 5 20 IIBD Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 436352547 NSDSHWZBUGPNRK-QFIPXVFZSA-N 443.528 4.144 5 20 IIBD CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)Nc1cccc([N+](=O)[O-])c1C 436499770 XMFKQIJIXJUTHE-SFHVURJKSA-N 437.500 4.148 5 20 IIBD CC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437351592 GYWHXBPKTRWWJV-UHFFFAOYSA-N 427.354 4.242 5 20 IIBD COc1ccc(NC(=O)C(=O)N2CCCCC[C@H]2/C=C/c2cccs2)cc1[N+](=O)[O-] 442468087 CHVISMRPQILDSB-SCOAYWHSSA-N 429.498 4.088 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 443967644 YOUSSGRZEVVYKF-IBGZPJMESA-N 432.908 4.060 5 20 IIBD O=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)c1sc(Br)cc1[N+](=O)[O-] 446047233 WFXOISQBEBKGNM-SNVBAGLBSA-N 445.266 4.368 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccn(Cc2ccc(F)cc2)c1=O 446427052 YUZNUGGAVMLFSQ-UHFFFAOYSA-N 445.834 4.005 5 20 IIBD O=C(NCc1ccccc1F)c1ccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 446817511 LJEKKNZVUNBJEK-UHFFFAOYSA-N 448.454 4.254 5 20 IIBD Cc1cc(C[C@H](C)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n(-c2ccccc2)n1 448170967 RZWWCUNYRVUVDP-KRWDZBQOSA-N 433.512 4.050 5 20 IIBD CCCN(CCc1cccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 461638993 CAQGUYRTJAFNLG-KRWDZBQOSA-N 441.557 4.410 5 20 IIBD COc1ccc(-n2c(Sc3cc(C)c([N+](=O)[O-])cc3F)nnc2-c2cnccn2)cc1 461967884 GSGKKQGHDJNXNL-UHFFFAOYSA-N 438.444 4.240 5 20 IIBD COc1cc(C)c(Br)cc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 462582748 YRLUPUNJIPPDKK-UHFFFAOYSA-N 431.246 4.112 5 20 IIBD CNc1c(C(=O)Nc2ccc(OC)c(NC(=O)c3cccc(F)c3)c2)cccc1[N+](=O)[O-] 462905647 ITPUFYJJOLILNK-UHFFFAOYSA-N 438.415 4.289 5 20 IIBD COc1cc(CN2CCC[C@](CO)(Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC(F)F 463031213 FBZUUHLNQFRUME-QFIPXVFZSA-N 436.455 4.022 5 20 IIBD CCCCCn1nc(C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)c2ccccc2c1=O 463136525 KNIXULVENJUHSC-UHFFFAOYSA-N 431.452 4.295 5 20 IIBD COc1cc([C@H](C)NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(OC)c1OC 463399507 YTYWKQUXIAVTRD-JTQLQIEISA-N 428.363 4.130 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](CC(F)(F)F)c2ccccc2)c2ncccc12 463689250 HYAPRGIFMYFGDI-AWEZNQCLSA-N 425.388 4.115 5 20 IIBD C[C@H](NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1cc(F)c(Cl)cc1Cl 465055211 DMIOIQUHXKORNA-VIFPVBQESA-N 429.231 4.232 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N(Cc1ccco1)c1cccc(Cl)c1 465127026 DITMALVBMPERCW-UHFFFAOYSA-N 428.828 4.388 5 20 IIBD CC[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1nc(C(F)(F)F)cs1 465180463 ARQMXUHTKMGJKM-GFCCVEGCSA-N 425.392 4.137 5 20 IIBD COc1ccccc1[C@@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccccn1 467218934 RTMOANCVBZYFQX-HXUWFJFHSA-N 426.860 4.241 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C 468165877 UIEFFIYXAXSACG-CRAIPNDOSA-N 428.537 4.153 5 20 IIBD Nc1c(C(=O)N2CCCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-] 468701515 ODDWISJCUHQUIH-INIZCTEOSA-N 437.283 4.117 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1 469019630 PESUMDNAZGLJML-KZULUSFZSA-N 425.268 4.269 5 20 IIBD COc1ccc(S(=O)(=O)N(C)[C@@H](C)c2sc(-c3ccccc3)nc2C)cc1[N+](=O)[O-] 469269329 IAGANIXDKKEDHQ-AWEZNQCLSA-N 447.538 4.417 5 20 IIBD COc1cc(C(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)cc([N+](=O)[O-])c1OC 472282315 ZJCFNKJQGKSQIW-IBGZPJMESA-N 427.844 4.180 5 20 IIBD CCOC1CC(CCNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)C1 475466989 SJLTVKQTMIAFMH-UHFFFAOYSA-N 449.554 4.067 5 20 IIBD COc1ccccc1C[C@@H](NC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C(C)C 477512612 DNPCREHKUWSJRG-OAHLLOKOSA-N 438.427 4.211 5 20 IIBD O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 478915475 WVICSOKQHBDUHB-UHFFFAOYSA-N 440.309 4.236 5 20 IIBD O=C(NCc1ccc(COCc2ccccc2)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 480226580 XQUHIHAOIZBQGS-UHFFFAOYSA-N 434.448 4.013 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)NCCc2cc3ccccc3s2)cc1[N+](=O)[O-] 481384181 MTNDLNJSQLGKKP-UHFFFAOYSA-N 425.510 4.404 5 20 IIBD CC[C@H](CN(CC)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 482268765 ZTIQSPYIHIGBDA-SJLPKXTDSA-N 429.542 4.303 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@@H]4[C@H](CCCN4Cc4ccccc4)C3)n2)c1 483513496 OTDURQCAKKMZAM-IFMALSPDSA-N 433.512 4.131 5 20 IIBD CCOC(=O)c1cc(C(=O)N(Cc2ccc(OC)cc2OC)C(C)(C)C)cc([N+](=O)[O-])c1 484447752 ZYECTTLCVNDMKA-UHFFFAOYSA-N 444.484 4.230 5 20 IIBD O=C(c1ccc(F)cc1)N1CCCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 485396567 XIWXEHHPVQYJKG-UHFFFAOYSA-N 438.434 4.288 5 20 IIBD C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 488857117 AYWXVHRZNYTGTO-OAHLLOKOSA-N 432.484 4.123 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CC)[C@H]1CN(Cc2ccccc2)CCO1 489183084 ZUCXXNLXTAGBRG-NHCUHLMSSA-N 443.569 4.116 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@@H](c3ccccc3)C2)cc1OC 489668162 PUTUDXQXVYUXPJ-QZTJIDSGSA-N 428.485 4.085 5 20 IIBD CCN(CC(=O)Nc1c(C)cccc1C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 489743396 PIBDDRXROJTPEO-OAHLLOKOSA-N 432.908 4.153 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CSc3ncnc4c3cnn4Cc3ccccc3)n2)cc1 489834537 OAIMTXRYNNKSMH-UHFFFAOYSA-N 445.464 4.125 5 20 IIBD CCn1c([C@H]2CCCN2CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])nc2ccccc21 490170977 YIQLDNJBOKBNLC-GOSISDBHSA-N 427.892 4.393 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@H](c1ccccc1)c1ncc[nH]1 492888516 DHLKNMVFOSDCIS-QGZVFWFLSA-N 429.274 4.250 5 20 IIBD CN(Cc1ccc(Br)c(F)c1)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl 494839573 XVZCQJSSVGHLAP-UHFFFAOYSA-N 430.661 4.491 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCc3cccc(Br)c32)c(Cl)c1 500329183 UHLDZYZAIFTDJA-UHFFFAOYSA-N 431.695 4.152 5 20 IIBD COc1cc(C(=O)N[C@@H](COc2ccccc2F)c2ccccc2)c([N+](=O)[O-])cc1OC 500726047 RGZNCZGIHXRJNT-SFHVURJKSA-N 440.427 4.301 5 20 IIBD CCN([C@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] 500935988 UXFJRKNWTSZFHO-HSZRJFAPSA-N 439.537 4.282 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@@H](Cn1ccccc1=O)c1ccccc1 504638153 VZSIJYQKDNXCQU-KRWDZBQOSA-N 446.385 4.338 5 20 IIBD CCOc1cc(C(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)c([N+](=O)[O-])cc1OC 505439412 GTVLZXGUBFGWGE-MRXNPFEDSA-N 434.317 4.314 5 20 IIBD CCN(Cc1ccc(C(C)C)c([N+](=O)[O-])c1)Cc1nc(O)c2cc(OC)c(OC)cc2n1 505666551 UFEHJEKJAQWGOJ-UHFFFAOYSA-N 440.500 4.406 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN(c2ccccc2OC)C1 506184713 ZIBDYCNOGFDUOT-MRXNPFEDSA-N 429.542 4.362 5 20 IIBD O=C(COc1c(Cl)cncc1[N+](=O)[O-])N1N=C(c2cccs2)C[C@@H]1c1ccco1 506599263 GATFVAPOJKIXHN-CYBMUJFWSA-N 432.845 4.054 5 20 IIBD Cc1ccc(NC(=O)N[C@H](C)c2cc3c(cc2Br)OCCO3)cc1[N+](=O)[O-] 511276710 JBRPMVMIUGGURK-LLVKDONJSA-N 436.262 4.320 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 511688095 QDSDGHQPSKITQD-ZDUSSCGKSA-N 447.296 4.260 5 20 IIBD COc1ccc(C2(CNC(=O)NCc3ccccc3[N+](=O)[O-])CCCCC2)cc1OC 512043742 YPEMBPSWYQNOKG-UHFFFAOYSA-N 427.501 4.313 5 20 IIBD CCc1nocc1CN(C)C(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 512126205 XNMXWQWVTKIKQA-UHFFFAOYSA-N 439.493 4.370 5 20 IIBD C[C@H](N[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1c(F)cncc1F 513246873 FFWYAJDVHBMADM-WDEREUQCSA-N 433.440 4.069 5 20 IIBD Cc1nn(-c2ccccc2)cc1CCCN[C@@H](c1ccc([N+](=O)[O-])cc1)c1nccn1C 513665887 HZQKPDGTXZYDQY-QHCPKHFHSA-N 430.512 4.134 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1F)N(Cc1cccs1)c1ccc2c(c1)OCCO2 514428110 RVCVLFXUXJTKDD-UHFFFAOYSA-N 444.440 4.179 5 20 IIBD COc1cc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2C)c([N+](=O)[O-])cc1OC 515440197 ONIVGBFNYRYJOJ-UHFFFAOYSA-N 441.484 4.235 5 20 IIBD CCCN(CCC)C(=O)c1ccc(NC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)cc1 515796546 UDPIRHQKENKNEA-UHFFFAOYSA-N 428.489 4.187 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)c1 516314859 IYVQFLFZMUOZNY-UHFFFAOYSA-N 426.391 4.434 5 20 IIBD CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)CSc1ccc([N+](=O)[O-])cc1 517470071 MPNQQCBTPKGVEL-UHFFFAOYSA-N 428.489 4.307 5 20 IIBD Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 519980578 QSBJZCVBAZFEJQ-QFIPXVFZSA-N 442.479 4.463 5 20 IIBD Cc1cc(C)n(-c2ccc(-c3noc(Cn4c5ccccc5c(=O)c5ccccc54)n3)cn2)n1 521050705 AMHJOOLRYAFCMK-UHFFFAOYSA-N 448.486 4.451 5 20 IIBD CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 521552834 ZNRMVTVXOPWJQI-CHWSQXEVSA-N 435.933 4.432 5 20 IIBD Cn1nc2c(c1NC(=O)c1ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c1)CCC2 521588135 RBLBQUDPAWQIGJ-UHFFFAOYSA-N 425.876 4.335 5 20 IIBD COc1ccc(Cl)cc1N1CC[C@@H](Nc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])C1 522614049 MFVFKKNUQWGQFB-MRXNPFEDSA-N 432.908 4.086 5 20 IIBD COC(=O)c1cc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc([N+](=O)[O-])c1 524044487 MSHHLHZLNGNEFP-UHFFFAOYSA-N 429.816 4.261 5 20 IIBD O=C(NC[C@@H](CO)Cc1ccc(F)cc1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 524223413 QKDKWLHUFRWCMV-KRWDZBQOSA-N 439.443 4.499 5 20 IIBD O=C(NCCCn1ccnc1)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 524445422 NAWVKJGRYUQFGK-UHFFFAOYSA-N 439.522 4.372 5 20 IIBD O=C(Nc1ccc(SC2CCCC2)cc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 532935909 DHLFUCMLQSCXKI-UHFFFAOYSA-N 427.530 4.379 5 20 IIBD Cc1nc(C)c([C@@H](C)N(C)C(=O)c2cc(I)cc([N+](=O)[O-])c2)s1 534288006 JAFPWWWULJFMHD-SECBINFHSA-N 445.282 4.106 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@H](Oc2cccc(Cl)c2)C1 536247765 GHKXDKNSFFRBEC-AWEZNQCLSA-N 425.666 4.304 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 536473411 VLCNNJQMGUHLKN-IEBWSBKVSA-N 428.510 4.316 5 20 IIBD COc1cc(CN2CC[C@@H](C3CCOCC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 537619770 JDUCYCMBOBOPPG-HXUWFJFHSA-N 426.513 4.431 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)c1 538427145 XXZJBJBPFPUHRT-DEOSSOPVSA-N 430.464 4.454 5 20 IIBD CCCc1[nH]nc(C(=O)Nc2ccc(CN(C[C@@H]3CCCCO3)C(C)C)cc2)c1[N+](=O)[O-] 539319801 HHSDVHHDZYVJLP-IBGZPJMESA-N 443.548 4.302 5 20 IIBD O=C(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)Nc1nc(-c2ccc(F)c(F)c2)cs1 540856620 ACZGWFLMOOQGCO-UHFFFAOYSA-N 441.419 4.499 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(-c2nc(Cc3ccc(-n4cccn4)cc3)no2)c1 544044841 JGXOPBSTBOJNLU-UHFFFAOYSA-N 426.230 4.184 5 20 IIBD O=C(NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)c1ccc(F)cc1[N+](=O)[O-] 544261903 VJOPYMRKVGCSEL-UHFFFAOYSA-N 426.275 4.435 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc([C@@H]3CCOc4ccccc43)no2)c(I)c1 544780426 OTJFPOSUKKOPDF-GFCCVEGCSA-N 449.204 4.164 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(Cc3cn4ccccc4n3)no2)ccc1NCc1ccccc1 545016324 IMCAAKKVDYZKOW-UHFFFAOYSA-N 426.436 4.495 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1noc(Cc2c[nH]c3cc(Br)ccc23)n1 545674358 AXCHBSPCFFSYCO-UHFFFAOYSA-N 442.273 4.467 5 20 IIBD O=C(Nc1ccccc1)N1CCC[C@H](c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)C1 545785680 NDKPRJYYVROGGF-HNNXBMFYSA-N 446.467 4.461 5 20 IIBD C[C@H](C(=O)Nc1cccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c1)n1cccn1 546539234 WGAHBIJSTQOXJQ-CQSZACIVSA-N 439.447 4.046 5 20 IIBD CCOC(=O)[C@@H](Cc1ccccc1)N(C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 547984997 ALIQTLUQZURSLC-HXUWFJFHSA-N 425.510 4.325 5 20 IIBD Cc1ccc([C@H]2OCCC[C@H]2NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 551767810 FUDHROODHAJODD-TZIWHRDSSA-N 439.512 4.176 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@@H](C)c3nc4ccccc4n3C)cc2[N+](=O)[O-])C1 554808229 GPWKWQFWAPISCT-BBWFWOEESA-N 435.528 4.455 5 20 IIBD CCOCc1nc([C@H](C)NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)no1 554985351 MKLAAMLEZUWOND-ZDUSSCGKSA-N 427.417 4.189 5 20 IIBD CC[C@@H]1CN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C[C@H](C)S1(=O)=O 558029054 CEMMCAIMVIIMOF-MAUKXSAKSA-N 448.566 4.092 5 20 IIBD COc1cc(Cc2noc(-c3ccnc(OCc4ccccc4)c3)n2)c([N+](=O)[O-])c(OC)c1 559912520 POAVFTRYJSMXRH-UHFFFAOYSA-N 448.435 4.227 5 20 IIBD O=C(Nc1nc2c(Br)cccc2s1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 561460220 JMQNXZCAMIAECQ-UHFFFAOYSA-N 444.270 4.405 5 20 IIBD C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 577428478 ALGGXRWZAMCQTB-HNNXBMFYSA-N 429.904 4.368 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(NCCCCc2nc(-c3cccnc3)cs2)s1 578275432 ZJPCZDASMVAPND-UHFFFAOYSA-N 438.556 4.013 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1 583234115 NFSJDHHHUVHUCA-SFHVURJKSA-N 429.477 4.193 5 20 IIBD O=C(Nc1cc(F)ccc1OCC(F)(F)F)N1CCOc2ccc([N+](=O)[O-])cc2C1 589319882 WPUCERQJRHPQLU-UHFFFAOYSA-N 429.326 4.102 5 20 IIBD Cc1ccc(-n2cnnn2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 603761398 DGCRWTWBIAXRFG-UHFFFAOYSA-N 432.465 4.282 5 20 IIBD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(Sc3ccc([N+](=O)[O-])c(C)c3)o2)c1 603839556 AVJLDROMUPUSFI-UHFFFAOYSA-N 448.526 4.135 5 20 IIBD CCCNC(=O)c1cccc(CN=c2c([N+](=O)[O-])c[nH]c3ccc(Br)cc23)c1 603862739 YZFVZTHRRIMQGF-UHFFFAOYSA-N 443.301 4.079 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(NC(=O)N2CCCC2)c1 603937309 MLEOJKLOOPHHQI-HNNXBMFYSA-N 428.514 4.020 5 20 IIBD Cc1ccc(S(=O)(=O)N(C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)cc1[N+](=O)[O-] 604042888 JUZAJIOKGDKUHS-UHFFFAOYSA-N 446.447 4.282 5 20 IIBD Cc1cc(Br)cc(Cl)c1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 608938997 QXNXWZQKQSEOSK-UHFFFAOYSA-N 427.638 4.343 5 20 IIBD COc1cc(-c2noc(-c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)n2)cc(Cl)c1OC 609475111 RFCOTPWREGQEHZ-UHFFFAOYSA-N 427.804 4.168 5 20 IIBD CN(C)Cc1ccc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cc1 609873906 VWJLXDGODFVEJP-UHFFFAOYSA-N 434.283 4.401 5 20 IIBD O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 609874135 PRNFZTOARJMKMY-LBPRGKRZSA-N 438.709 4.267 5 20 IIBD C[C@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C[C@H](C)S1 610301092 PPIPDQDEEHNYRI-STQMWFEESA-N 431.480 4.182 5 20 IIBD O=C(NC1CC1)c1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)c1 611200799 HTRJTHDDPJGMMG-UHFFFAOYSA-N 439.537 4.452 5 20 IIBD COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(-c3csc(C)n3)cc2)cc1[N+](=O)[O-] 612058839 CGYNEBRFPUZNSH-GFCCVEGCSA-N 433.511 4.075 5 20 IIBD O=[N+]([O-])c1ccc(C(F)(F)c2nc(-c3cccc(I)c3)no2)cc1 612888153 ZVODBGZHAOORKW-UHFFFAOYSA-N 443.147 4.390 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@@H](N4CCCC4)C3)n2CCc2ccccc2)c1 619821652 QNICKFSTTJOFRM-HSZRJFAPSA-N 446.555 4.161 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)Nc1cc(Cl)ccc1F 725984317 AKUFDDRZCNHZDN-QMMMGPOBSA-N 445.628 4.334 5 20 IIBD O=C(CNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)OCC1CC1 726172710 JDRVPUQLMDPWMU-UHFFFAOYSA-N 443.506 4.039 5 20 IIBD C[C@@H](OC(=O)CCc1ccccc1OC(F)(F)F)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 727553346 FOWMTOHEFXNFFL-LLVKDONJSA-N 444.337 4.136 5 20 IIBD COCCSc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 728878968 DNTRUJZZUYPUJN-INIZCTEOSA-N 429.542 4.425 5 20 IIBD CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 729546561 SXZBOCGATZKQBP-ZDUSSCGKSA-N 447.797 4.171 5 20 IIBD COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)c2cc(OC)ccc2[N+](=O)[O-])cc1 729660422 ZUAMVUQHFUAHFX-UHFFFAOYSA-N 436.464 4.463 5 20 IIBD COc1ccccc1C[C@H](C)CC(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730708909 SPIQVHAGFLHVNX-HKUYNNGSSA-N 440.496 4.020 5 20 IIBD O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1cnn(-c2ncccc2Cl)c1C(F)F 730751157 YBYCWBQEHRRMOJ-UHFFFAOYSA-N 426.738 4.263 5 20 IIBD CN(C)[C@H]1Cc2ccccc2N(C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 731468159 MUUBLBVKUORSQT-HNNXBMFYSA-N 439.459 4.225 5 20 IIBD CCOC(=O)c1cc(S(=O)(=O)N(C)c2ccc3ccccc3c2)cc([N+](=O)[O-])c1C 734806786 JCSZIAZBMAWTOZ-UHFFFAOYSA-N 428.466 4.058 5 20 IIBD O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 735800191 DQMZRAJLTKXDRP-OAHLLOKOSA-N 437.279 4.497 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3cc(C)n(C(C)(C)C)n3)CC2)ccc1[N+](=O)[O-] 744202681 BGQNQWZAAAXWBP-UHFFFAOYSA-N 430.505 4.079 5 20 IIBD C[C@H](OC(=O)[C@@H]1CCCCN1Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 745102798 AYDDVYKSZAMJRT-YWZLYKJASA-N 445.903 4.173 5 20 IIBD C[C@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 745334898 JFWGCJKGJGSTOL-RYUDHWBXSA-N 425.268 4.253 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N(c1ccccc1)C1Cc2ccccc2C1 746411127 ZMFPRZKSKUKMTD-UHFFFAOYSA-N 443.503 4.246 5 20 IIBD O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)OCCCC(c1ccc(F)cc1)c1ccc(F)cc1 748495826 DHNUSOYRIIHLTL-UHFFFAOYSA-N 442.418 4.190 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCSCC3)c(C)c2)cc1OC 749822843 QFWFVTPPONUTSD-UHFFFAOYSA-N 431.514 4.116 5 20 IIBD O=C(CN1CCCCCC1)Nc1cccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)c1 751015312 NJQFLADSXINXEM-UHFFFAOYSA-N 427.530 4.218 5 20 IIBD O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1cc([N+](=O)[O-])ccc1Br 751107566 JLMHETLLBDLDSG-MRXNPFEDSA-N 431.246 4.337 5 20 IIBD CC(=O)OC1CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 753718040 IYZFBPIABZHECE-UHFFFAOYSA-N 431.876 4.028 5 20 IIBD CN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 754708354 CBQRCTZBTZWMKB-MAUKXSAKSA-N 437.265 4.489 5 20 IIBD COC(=O)c1cc2cc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3Br)ccc2o1 754985155 BUXYBTIKKIKREX-UHFFFAOYSA-N 437.177 4.282 5 20 IIBD C[C@H](C(=O)OC[C@@H]1CC(=O)N(C)[C@H]1c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1F 755693595 AOZRKKVDPNJHIP-SIFORAMQSA-N 434.851 4.254 5 20 IIBD COc1ccc(C(C)(C)C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC 760536280 WLQAZUVBFGAUDM-UHFFFAOYSA-N 426.425 4.288 5 20 IIBD C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1nc(-c2ccccc2)no1 760931589 FCOODDBEAVWJMZ-MRXNPFEDSA-N 435.484 4.169 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 762907056 YHEFZBJRIOKJQS-LLVKDONJSA-N 431.832 4.231 5 20 IIBD O=C(Nc1ccnn1CC1CC1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 763798378 QHARJMUWYVOKJF-UHFFFAOYSA-N 437.422 4.075 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCN(CCC(C)(C)C)CC2)c1=S 764905203 RVBUBRNLBILCGU-UHFFFAOYSA-N 432.594 4.020 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 765616544 GMHOIIPJZNLRRS-UHFFFAOYSA-N 440.443 4.216 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 765639585 PMPMGPGJALJSGD-LJQANCHMSA-N 445.560 4.413 5 20 IIBD O=C(OCc1ccc(Oc2ccccc2)nn1)c1ccc([N+](=O)[O-])cc1Br 766105003 PWXZLAXSAMLEPI-UHFFFAOYSA-N 430.214 4.297 5 20 IIBD O=C(N[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1)c1cc2ccccc2o1 770006101 FVYLFGGJLOTTOH-HNNXBMFYSA-N 442.859 4.421 5 20 IIBD C[C@@H](Cc1noc(-c2ccc(Br)cc2[N+](=O)[O-])n1)N(C)C(=O)OC(C)(C)C 771128290 WEKXYAIXNGFICK-JTQLQIEISA-N 441.282 4.205 5 20 IIBD O=C(C=C1CCSCC1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 772156375 UGIKVDPWFVKLQX-UHFFFAOYSA-N 443.594 4.421 5 20 IIBD COCCOc1c(Cl)cc(N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl 773211398 NASJRGNFKWABST-KRWDZBQOSA-N 440.283 4.144 5 20 IIBD O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1Br 775201599 LGJHOVLMQIYPML-UHFFFAOYSA-N 443.172 4.316 5 20 IIBD C[C@H](CC(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(=O)c1ccc(Cl)cc1 777215681 KLCBVUWBOMSGGG-GFCCVEGCSA-N 429.816 4.251 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1=CCN(C(=O)OC(C)(C)C)CC1 778117272 CKHRDHNLXFMCIQ-UHFFFAOYSA-N 435.546 4.394 5 20 IIBD O=C(OCC(=O)N1CCCc2ccccc21)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781256031 JZTJEIVHZCRADW-UHFFFAOYSA-N 448.425 4.096 5 20 IIBD O=C(Nc1cccc(F)c1)c1cccc(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c1 781627100 ZRFRZUSMSNHKJC-OAQYLSRUSA-N 448.410 4.118 5 20 IIBD CCn1cc(CCOC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)cn1 781658154 BAWVJAFUFPLPQZ-UHFFFAOYSA-N 439.493 4.164 5 20 IIBD O=C(Nc1c(O)c(Cl)cc(Cl)c1Cl)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 782043507 ZBHAWQDOYDMXAM-LBPRGKRZSA-N 430.631 4.392 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1Br 782929647 LXVXIOAWORRAMH-UHFFFAOYSA-N 426.075 4.465 5 20 IIBD CCc1sc(-c2nnc(COC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)o2)cc1C 782985594 IYERKJXAOHMTJH-UHFFFAOYSA-N 432.414 4.151 5 20 IIBD C[C@@H](Cc1ccccc1)NC(=S)/C(=C(/O)c1ccc([N+](=O)[O-])cc1)[n+]1cccc(O)c1 786044143 RXNXIOKRKJJRJQ-INIZCTEOSA-O 436.513 4.020 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)c1F 790170576 UWXQOYZPPZWOEC-UHFFFAOYSA-N 442.472 4.255 5 20 IIBD Cc1nc2ccc(NS(=O)(=O)c3cc(Br)c(F)cc3[N+](=O)[O-])cc2s1 795281531 ZYESTTCPCBVZEM-UHFFFAOYSA-N 446.279 4.215 5 20 IIBD Cc1cc(NC(=O)c2cccnc2)ccc1OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 799587987 LRSONKJPFOJTOR-UHFFFAOYSA-N 440.843 4.221 5 20 IIBD CCOC1CC(COC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 803256111 FAJQFJMVBHYOJV-UHFFFAOYSA-N 432.860 4.472 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(CNCc2c(Br)cncc2Br)c1 811483645 JGAYCDXOGOJFSH-UHFFFAOYSA-N 435.503 4.458 5 20 IIBD CC[C@H]1[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCN1C(=O)OC(C)(C)C 812910581 KBAGHEDDHIKAJW-JSGCOSHPSA-N 429.420 4.170 5 20 IIBD C[C@H](OC(=O)CCC(=O)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 844924796 BGGAKADVAGHFMZ-LBPRGKRZSA-N 438.358 4.147 5 20 IIBD COc1ccc(C2=NN(C(=O)CNc3ccc(F)c([N+](=O)[O-])c3)[C@@H](c3ccco3)C2)cc1 912724090 NBLLWTPGCOKEMX-HXUWFJFHSA-N 438.415 4.125 5 20 IIBD CCc1ccccc1NC(=O)CN(C)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 914864006 DKARYYBSFYKFSX-UHFFFAOYSA-N 426.351 4.159 5 20 IIBD Cc1ccc(-n2ncc(C(=O)O[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])c2C(C)C)cc1 914977333 COHGMDSRUJXHQA-MRXNPFEDSA-N 436.468 4.396 5 20 IIBD Cn1ccnc1[C@@](O)(CCNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])C(F)(F)F 917067782 SQIPBBOKIDVHME-ZDUSSCGKSA-N 446.735 4.253 5 20 IIBD COc1ccc(-c2noc(COC(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)n2)cc1 917225197 KYIHLGCFZIAWMP-UHFFFAOYSA-N 438.440 4.001 5 20 IIBD O=C(Nc1ccccc1N1CCCCCC1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 918559358 PILXSMGQUGINHU-INIZCTEOSA-N 440.475 4.106 5 20 IIBD COc1ccccc1Oc1ccc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1F 919961542 AZCUJFUFABDGLS-UHFFFAOYSA-N 436.392 4.475 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(OC(=O)c2sccc2C(C)C)c([N+](=O)[O-])c1 920111248 KDDZOCIPIZJXDR-UHFFFAOYSA-N 426.516 4.029 5 20 IIBD COC(=O)c1cccc(COC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 920548822 UGMBMMUVGXQWRT-HNNXBMFYSA-N 435.436 4.307 5 20 IIBD COC(=O)c1ccc(OC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)cc1[N+](=O)[O-] 1116598715 SZEGRRBRWJDZPR-UHFFFAOYSA-N 439.424 4.093 5 20 IIBD CCS(=O)(=O)c1cccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c1 1251938211 MOBQXSVVRVFRMF-UHFFFAOYSA-N 425.466 4.384 5 20 IIBD Cc1c([C@@H](C)NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cnn1C 1318451012 KLFNWNQOXCUNAD-GFCCVEGCSA-N 441.875 4.033 5 20 IIBD O=C(NCCN[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccccc1C(F)(F)F 1320577045 HOJWGUIFRSBBJY-BEFAXECRSA-N 435.446 4.344 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)CC1c2ccccc2Oc2ccccc21 1337565162 RRLYHAMOPSFAOF-UHFFFAOYSA-N 438.461 4.036 5 20 IIBD COc1cc(CC(=O)NC2(c3ccc(NC(=O)C4=CCCC4)cc3)CCC2)ccc1[N+](=O)[O-] 1787622204 ZSKNWTHEQAVGCR-UHFFFAOYSA-N 449.507 4.390 5 20 IIBD Cc1cc(F)ccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(F)ccc([N+](=O)[O-])c1C 1800701316 MVDFVQVTBSCQIE-BJWYYQGGSA-N 443.450 4.055 5 20 IIBD CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(F)c3[N+](=O)[O-])[nH]n2)CCCC1 1814531384 MEXMVABLLMSHKV-KRWDZBQOSA-N 443.479 4.343 5 20 IIBD CC(C)=CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)c([N+](=O)[O-])cn2)CC1 1830253690 ZNKBZEPJLOCQDH-NRFANRHFSA-N 442.560 4.278 5 20 IIBD CC(C)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1831377736 FVDJFHHQNIYECH-OSICKASQSA-N 431.533 4.257 5 20 IIBD CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c1C 9719891 UWOWOLNQJRCHAB-UHFFFAOYSA-N 441.484 4.018 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1nnc(Cc2ccccc2)s1 14808067 VYQFROBBYQGYDJ-UHFFFAOYSA-N 426.501 4.236 5 20 IIBD COCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C 15248612 XPHSCQZIGUSKQZ-UHFFFAOYSA-N 448.419 4.056 5 20 IIBD Cc1cc(-n2c(C)cc(C(=O)O[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2C)no1 26573298 ZPIYNKVRVOSRRP-CYBMUJFWSA-N 446.847 4.136 5 20 IIBD O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1cc([N+](=O)[O-])ccc1Cl 26773592 SSJLBPYDQXRCTN-UHFFFAOYSA-N 444.900 4.461 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N(C)Cc2ccccc2OC)c([N+](=O)[O-])c1 29304176 GHYLZYAUCZYUEF-UHFFFAOYSA-N 434.448 4.257 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1 32098200 ONEKPYNICPVJMP-UHFFFAOYSA-N 435.845 4.203 5 20 IIBD C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 195708853 UBOADOXJHIFGRP-HZPDHXFCSA-N 435.484 4.375 5 20 IIBD O=C(Nc1cccc(I)c1)c1cc([N+](=O)[O-])ccc1OC(F)F 217389519 KXIUAITXTXRKJG-UHFFFAOYSA-N 434.136 4.053 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H]3[C@H]4CCO[C@@H]4C3(C)C)c([N+](=O)[O-])c2)c(C)c1 301377182 WKOJEBVPEJGWLJ-HBGVWJBISA-N 445.541 4.238 5 20 IIBD O=C(c1cccc(Cl)c1)N1CCCN(c2ccc([N+](=O)[O-])cc2Br)CC1 301378771 XRNILACAUTZAJR-UHFFFAOYSA-N 438.709 4.363 5 20 IIBD O=C(c1ccccc1C(F)(F)F)N1CCC(Nc2ncc([N+](=O)[O-])cc2Cl)CC1 302389812 JBNMMOZLDYAJDW-UHFFFAOYSA-N 428.798 4.379 5 20 IIBD Cc1cc(N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c(Br)cc1[N+](=O)[O-] 302632493 CHGGPLNFLVLCAR-GFCCVEGCSA-N 427.320 4.267 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)C(=O)N1CCCC1 410207545 XKEMBDSITOXVCT-ZDUSSCGKSA-N 433.917 4.140 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-c2ccco2)cc1F 427082897 VMWWAYFFKPUGAB-UHFFFAOYSA-N 425.416 4.072 5 20 IIBD O=C(O)CCCNC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 428101342 SEOAPUXOXMCHHX-UHFFFAOYSA-N 428.388 4.359 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CNC[C@H]3CSCCN3Cc3ccccc3)cs2)c1 428541063 OTWWZENHQHQONP-NRFANRHFSA-N 440.594 4.426 5 20 IIBD CSc1ccc(C)c(NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1 430320868 YGYJWXYEHZUHRR-UHFFFAOYSA-N 438.303 4.273 5 20 IIBD O=C(NC[C@@H]1CCC(F)(F)C1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 431120747 VHEOARVVBUCESF-GFCCVEGCSA-N 435.393 4.382 5 20 IIBD CC1(C)CN(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H]1c1ccncc1 431776415 PTKRLAAYONDNEF-QGZVFWFLSA-N 437.422 4.213 5 20 IIBD O=C(c1cc2ccccc2s1)N1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 434796154 PNQVCZVEWSVROE-UHFFFAOYSA-N 448.504 4.423 5 20 IIBD Cc1c(NC(=O)NCc2cccc(-c3cnn(C)c3)c2)cc(Br)cc1[N+](=O)[O-] 435329924 RLXWUGYFKGLGKQ-UHFFFAOYSA-N 444.289 4.388 5 20 IIBD O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCCN1C(=O)c1ccc(O)c([N+](=O)[O-])c1 436965875 UNMFKKOHLNSQLP-OAHLLOKOSA-N 438.267 4.241 5 20 IIBD O=C(Nc1cccc(CCC(F)(F)F)c1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437030890 GKIMCYDDFBOTPZ-UHFFFAOYSA-N 435.402 4.219 5 20 IIBD Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 441270655 PFDLIJHSJUNCPO-FUHWJXTLSA-N 447.438 4.238 5 20 IIBD COc1ccc(CN[C@]2(CO)CCCc3ccccc32)cc1OCc1ccc([N+](=O)[O-])cc1 441369184 CVJACXUGEVSFPW-SANMLTNESA-N 448.519 4.496 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(=O)Nc1cccc2c1OCO2 442468040 YGGCGDJQIQOAOH-UHFFFAOYSA-N 443.462 4.113 5 20 IIBD Cc1c(NC(=O)CCN2CCC[C@H](c3nc4ccc(F)cc4o3)C2)cccc1[N+](=O)[O-] 443644483 FDJCOOXARNGIJN-HNNXBMFYSA-N 426.448 4.392 5 20 IIBD COc1ccc(Cl)cc1CN1CCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 443952464 ZUVYGAFPHZMCBR-UHFFFAOYSA-N 432.908 4.223 5 20 IIBD Cc1oc(-c2ccccc2)c(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1C 444090765 SDJYMNDCTKEMOW-UHFFFAOYSA-N 433.464 4.070 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCc2ccc([N+](=O)[O-])cc2C1 444227635 PNKRUBXGVPYJBF-UHFFFAOYSA-N 435.386 4.066 5 20 IIBD CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1cnc(O)c([N+](=O)[O-])c1 444827550 PKJKEEJIAGUQQM-UHFFFAOYSA-N 443.481 4.007 5 20 IIBD CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 446541200 QRGZLAQLGFNVHK-HXUWFJFHSA-N 434.500 4.187 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c2ccccc2S1 446621500 WSJHSLRCKBBANI-GFCCVEGCSA-N 427.511 4.016 5 20 IIBD O=C(CN1CCc2ccc([N+](=O)[O-])cc2C1)N[C@H](c1ccc(F)cc1)c1cccs1 446734393 DZNNBNXVEJDWEU-JOCHJYFZSA-N 425.485 4.059 5 20 IIBD CCCCOc1ccc(-c2nnc(NS(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])o2)cc1 446777753 SXCYVTOJOKVIKX-UHFFFAOYSA-N 446.485 4.241 5 20 IIBD COc1cc(NC(=O)CSc2ccc(Br)cc2[N+](=O)[O-])cc(OC)c1 447356715 VGAOALKYHHMDLD-UHFFFAOYSA-N 427.276 4.105 5 20 IIBD CCC(CC)C(=O)N1CCC(Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC1 447680177 NDUBCKDEIHVVGT-UHFFFAOYSA-N 438.397 4.483 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCCCOCCc1ccccc1 462542339 MAMRRFSVHYRUAR-UHFFFAOYSA-N 447.340 4.219 5 20 IIBD O=C(Nc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1F)c1cccc(Cl)c1 463440845 BGSSPNLBEDWQBE-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccc(OC(C)(C)C)cc1C(F)(F)F 464553742 SFIGSKWKRRMACG-UHFFFAOYSA-N 428.411 4.002 5 20 IIBD CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 465264044 NMLLAIQRLLEGBS-UHFFFAOYSA-N 426.450 4.433 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1c(C)oc2ccccc12 466859181 VYHOGRDYWLGEKE-UHFFFAOYSA-N 428.466 4.235 5 20 IIBD O=C(Nc1ccc2nc(Cc3ccccc3)oc2c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 466906606 PTMLJMKUNZCKAZ-UHFFFAOYSA-N 440.419 4.160 5 20 IIBD C[C@@H]1CN(Cc2ccccc2NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)O1 467168617 JTHNMQNHLBENQU-HUUCEWRRSA-N 432.908 4.179 5 20 IIBD COc1cc(OC)cc(N2CCCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC2)c1 468358521 UPGVJDVDFRKYDK-UHFFFAOYSA-N 441.509 4.179 5 20 IIBD CC(C)n1c([C@H]2CCCN2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)nc2ccccc21 471023735 VRZYIOCBSOPRAB-JOCHJYFZSA-N 433.512 4.252 5 20 IIBD COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1cccc([N+](=O)[O-])c1OC)CC2 474427745 PQLMIIZXAPUBHP-QHCPKHFHSA-N 448.475 4.409 5 20 IIBD O=C(NCCC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1)c1ccc([N+](=O)[O-])cc1 474849795 ASIYLLDOQLHAPB-UHFFFAOYSA-N 449.429 4.140 5 20 IIBD Cc1nc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)ccc1[N+](=O)[O-] 475297332 PFBWWBKPONBZOJ-UHFFFAOYSA-N 436.811 4.005 5 20 IIBD CCCCn1ncc(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c1C(C)C 480218731 CMFVKFULLUPJML-UHFFFAOYSA-N 445.339 4.278 5 20 IIBD COc1cc(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)cc([N+](=O)[O-])c1C 480558917 VEAXBZVDAMXTDX-UHFFFAOYSA-N 449.301 4.358 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 482232968 QKSSRPWODOSPFB-HXUWFJFHSA-N 438.528 4.347 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 482380611 FIJAOXIEAULEAT-HNNXBMFYSA-N 448.348 4.211 5 20 IIBD O=C(O)[C@@H]1CC12CCN(C(=O)c1ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c1)CC2 485445364 KWTFSEIBFFVJMA-INIZCTEOSA-N 443.887 4.187 5 20 IIBD CC[C@@H](NC(=O)N(CCO)Cc1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 487430290 LAZUQMGOOSBAAD-GOSISDBHSA-N 436.306 4.013 5 20 IIBD COc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1OC1CCCC1 488721811 DKRGMRNNPPASMJ-UHFFFAOYSA-N 440.905 4.057 5 20 IIBD CCc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cnn1CCC(C)C 491545319 KOSHDCKESFIRPT-UHFFFAOYSA-N 434.440 4.219 5 20 IIBD CN(C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H](c1ccccc1)c1ncc[nH]1 493105837 RZQQSPJNLGGYAD-IBGZPJMESA-N 447.417 4.387 5 20 IIBD Cc1ccc(-c2csc(NC(=O)C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)n2)cc1C 493962572 VLDIJEOGIJWWJX-OAHLLOKOSA-N 438.509 4.459 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)c1ccc([N+](=O)[O-])c2cccnc12 494534643 ZZCHUHRFIMUIJG-CYBMUJFWSA-N 427.844 4.464 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(Cl)c(F)c1 497356633 AYODXQHKXWRCNR-CQSZACIVSA-N 446.765 4.023 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cc2c(cc1F)CCC(=O)N2 497422592 PWIKMTNSNZQYJP-UHFFFAOYSA-N 440.353 4.078 5 20 IIBD COC(=O)[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)Cc1ccc2ccccc2c1 498625323 WDOYARZHCZXKIJ-LJQANCHMSA-N 432.432 4.256 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 498857396 AXIRLOHNQGGADN-INIZCTEOSA-N 446.328 4.429 5 20 IIBD CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 499143281 XACPLFAZLOTICV-UHFFFAOYSA-N 446.385 4.051 5 20 IIBD Cc1cc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)ccc1S(C)(=O)=O 500307517 UALHVJHNAQFIAF-UHFFFAOYSA-N 425.466 4.303 5 20 IIBD O=C(c1cc(Cl)ccn1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 500715723 VGCFSWLYXZMAEP-UHFFFAOYSA-N 442.928 4.330 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)Nc2nc3ccccc3n2C2CCCCC2)cc1[N+](=O)[O-] 501822488 CMMALUQDURNNHS-UHFFFAOYSA-N 442.497 4.106 5 20 IIBD CC[C@@H](CSc1ccc(C)c(C)c1)NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 502257444 SIMTWVYPGIACES-INIZCTEOSA-N 447.582 4.090 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N=c2nc(-c3ccccc3)[nH]s2)cc1[N+](=O)[O-])c1ccccn1 502733979 ZUNWJWHKBCQCFK-CQSZACIVSA-N 446.492 4.356 5 20 IIBD CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 504926999 MBJQAMVZYCOQCV-NVXWUHKLSA-N 437.587 4.067 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(-c3cccc(S(=O)(=O)N4CCc5ccccc54)c3)n2)c1 505003680 WTZQYSAPLSPLJH-UHFFFAOYSA-N 448.460 4.063 5 20 IIBD Cc1cc(C(=O)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)ccc1[N+](=O)[O-] 505311746 SOGCXZMYESADGE-UHFFFAOYSA-N 446.301 4.157 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc3cccc(Cl)c3n2)ccc1[N+](=O)[O-] 505429244 QSBPAKNFFYTULL-GOSISDBHSA-N 438.871 4.348 5 20 IIBD O=C(CCNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)Nc1cccnc1 508486762 IGOQZTVJMAFCPQ-UHFFFAOYSA-N 440.843 4.194 5 20 IIBD CC(C)COc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1I 508958461 KJZMTXGNYXYRED-UHFFFAOYSA-N 440.237 4.487 5 20 IIBD O=C(Nc1cccc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1)C1CCCCC1 509095765 PDGVMIZNRRAWTI-UHFFFAOYSA-N 436.512 4.076 5 20 IIBD CC1(c2nc3ccccc3s2)CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 509151171 JPWSLCPJZDYAHS-UHFFFAOYSA-N 445.566 4.131 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CSc2ccccc21 509406875 YHTHFPILKRDCMN-CQSZACIVSA-N 440.262 4.085 5 20 IIBD O=C(Nc1cc2ccc(Br)cn2n1)c1cc(Br)cc([N+](=O)[O-])c1 511389156 AZZWLINDFSKVBE-UHFFFAOYSA-N 440.051 4.020 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)c1cccs1 513061369 LOOMMWUJMZOBDJ-JTQLQIEISA-N 430.267 4.403 5 20 IIBD C[C@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)N1CCCCC1 513529141 SZDXIDLZJBKPFF-AWEZNQCLSA-N 431.876 4.171 5 20 IIBD COc1cc(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 514074386 NFDRBEKBUBPMBP-UHFFFAOYSA-N 435.480 4.224 5 20 IIBD CC(C)[C@@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1 514488774 RROFGZKQHWOESZ-HXUWFJFHSA-N 431.876 4.450 5 20 IIBD COC(=O)c1cc(C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc([N+](=O)[O-])c1 515578139 LEJBLFGLHLMSCN-UHFFFAOYSA-N 443.843 4.196 5 20 IIBD CCCC[C@@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(OC)cc1 518135871 YTSPPEIBKVMBOH-QGZVFWFLSA-N 433.892 4.034 5 20 IIBD CC1CCN(C[C@H]2CCCN(C(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)C2)CC1 522117101 UEUZHYRZXKFHCM-OAQYLSRUSA-N 442.604 4.415 5 20 IIBD CC(C)n1c(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])nc2ccccc21 522870878 NBINOGLAPFIPSY-UHFFFAOYSA-N 436.390 4.397 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1 522871758 LIKSSFFFCXUAMS-HNNXBMFYSA-N 428.518 4.206 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1 524187470 ZWUQWDCIMDLSQA-VQIMIIECSA-N 435.402 4.470 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](COc2ccccc2Cl)C1 532827439 ALKAYNSNYZVORR-MRXNPFEDSA-N 447.919 4.376 5 20 IIBD O=C(Nc1ccccc1Br)C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 533050736 OLSDGKYIRREGSO-UHFFFAOYSA-N 448.317 4.087 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3ccc(Cl)cc3s2)c(Br)c1 534172897 GWDKCKZFDJLUSG-UHFFFAOYSA-N 448.707 4.421 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(C(=O)c2ccccc2F)CC1 538239214 QWVQZHDCNSBZHD-UHFFFAOYSA-N 445.516 4.269 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN3CCS[C@H]4COCC[C@H]43)o2)c(Br)c1 538810431 NTYGEVDAABIDPI-AEFFLSMTSA-N 439.331 4.324 5 20 IIBD COc1ccc(C2(CNC(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])CCOCC2)cc1 540548358 IYWRJJJXLDWWTB-UHFFFAOYSA-N 447.491 4.144 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 541069216 VWKPLBSUHPMNNO-OAHLLOKOSA-N 435.402 4.033 5 20 IIBD O=C(N=c1nc(-c2cccnc2)[nH]s1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 541601083 LIQLAZKZGZFHTJ-UHFFFAOYSA-N 441.538 4.465 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H](c1ccc2c(c1)OCCO2)C1CC1 542215625 UHLJLDFIXQWKGC-FQEVSTJZSA-N 434.901 4.379 5 20 IIBD C[C@@H](C(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1)c1ccc([N+](=O)[O-])cc1F 542542169 ISBZZFUEGCEFOP-CYBMUJFWSA-N 429.835 4.340 5 20 IIBD Cc1cnc(C(C)(C)N[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)s1 542580212 JMDZZWPPKLKMKP-GFCCVEGCSA-N 431.543 4.335 5 20 IIBD COc1cc(CNc2cccnc2-n2cccn2)ccc1OCc1ccc([N+](=O)[O-])cc1 544669192 OVPVNOWWNCHNAR-UHFFFAOYSA-N 431.452 4.375 5 20 IIBD COc1ccc(CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H](CO)C(C)C)cc1 546208845 BBLHASBMMVOHFO-LJQANCHMSA-N 440.418 4.282 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3cc(Br)sc3Br)n2)nc1 546486048 QLIMPSHZCCCSNI-UHFFFAOYSA-N 446.080 4.217 5 20 IIBD CC[C@@H](c1ccc(Br)cc1)c1noc(CCn2nc(C)c([N+](=O)[O-])c2C)n1 547225105 DKDNEQUABQYGFB-HNNXBMFYSA-N 434.294 4.338 5 20 IIBD Cn1ccnc1[C@@H](NCc1cccc(NC(=O)C2CCCC2)c1)c1ccc([N+](=O)[O-])cc1 552234894 WRPGXXWGMAXBAL-QFIPXVFZSA-N 433.512 4.336 5 20 IIBD COc1ccc(-c2ccc(C)c(NC(=O)c3cc(O)nc4ccc([N+](=O)[O-])cc34)c2)cn1 554829720 FFYQUXMNPFAQBC-UHFFFAOYSA-N 430.420 4.480 5 20 IIBD CCCOc1ccccc1Oc1ncccc1CNc1nc(O)c2cc([N+](=O)[O-])ccc2n1 561134191 WXZQDSBQUMVXKR-UHFFFAOYSA-N 447.451 4.832 5 20 IIBD CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cc([N+](=O)[O-])cc(Br)c1C 566987641 FGLWARFWIQYUOW-UHFFFAOYSA-N 437.290 4.345 5 20 IIBD COc1cc(Cc2noc(CCCOc3ccc(C)c(C)c3)n2)c([N+](=O)[O-])c(OC)c1 575472638 ZDQIPPOIIBNCOE-UHFFFAOYSA-N 427.457 4.214 5 20 IIBD Cc1ccc(Br)cc1-c1noc(-c2cccc([N+](=O)[O-])c2N2CCOCC2)n1 583590769 JANCMBFFUDQTOD-UHFFFAOYSA-N 445.273 4.219 5 20 IIBD COc1ccc(CN[C@H]2CC[C@@](O)(C(F)(F)F)C2)cc1OCc1ccc([N+](=O)[O-])cc1 589938216 JWEQBQBVJAUFHA-JXFKEZNVSA-N 440.418 4.118 5 20 IIBD COc1ccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1O 603499684 QUVLSOQYUWVTLT-UHFFFAOYSA-N 439.390 4.183 5 20 IIBD COc1ccc(CSCC(=O)NCc2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] 603567427 FXECKERZSGYAHJ-UHFFFAOYSA-N 430.404 4.052 5 20 IIBD COc1ccc(CSc2nnc(N3CCCC3)n2-c2ccc(C)cc2)cc1[N+](=O)[O-] 603723096 AIOFDKXEJHPCOQ-UHFFFAOYSA-N 425.514 4.385 5 20 IIBD C[C@@H]1CCCN(S(=O)(=O)c2ccc(CNc3ccc([N+](=O)[O-])c4cccnc34)cc2)C1 603869229 XLRQTUYLGMPXPN-MRXNPFEDSA-N 440.525 4.176 5 20 IIBD CSc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CCO3)cc1[N+](=O)[O-] 604020423 MXLMPLUCKXZOBU-UHFFFAOYSA-N 429.498 4.341 5 20 IIBD COc1cc(CCNC(=O)N2CCC[C@H]2c2ccccc2Cl)c([N+](=O)[O-])cc1OC 604125502 WTSXNFKVDMFUOB-KRWDZBQOSA-N 433.892 4.355 5 20 IIBD C[C@@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)c1c(Cl)cccc1Cl 604572165 QONVDGXURSJAMW-LLVKDONJSA-N 442.324 4.051 5 20 IIBD Cc1c(CN(C)Cc2cccc(NS(=O)(=O)c3ccccc3)c2)cccc1[N+](=O)[O-] 609040736 QYCDWYGXRXADKX-UHFFFAOYSA-N 425.510 4.336 5 20 IIBD COc1cc(OCC(=O)Nc2ccc(C)cc2-c2nc3ccccc3[nH]2)ccc1[N+](=O)[O-] 609502190 QXUXXPTYXMZAAR-UHFFFAOYSA-N 432.436 4.473 5 20 IIBD O=C(c1ccc(Oc2ccc(F)c(F)c2)cc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 609566392 ZUNILPZEPPLJNC-UHFFFAOYSA-N 440.406 4.023 5 20 IIBD CC(C)c1ccccc1NC(=O)CSCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 609770892 SVHCAAMZIYLCDK-UHFFFAOYSA-N 429.498 4.388 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCO[C@H](c2ccccc2)C1 609873863 OKOUZTVNBKRRBW-SFHVURJKSA-N 447.278 4.301 5 20 IIBD CC(C)(NC(=O)c1cccc(Cl)c1)c1noc(Cn2ccc3cc([N+](=O)[O-])ccc32)n1 609961118 LSLSZTVXSRJNNB-UHFFFAOYSA-N 439.859 4.299 5 20 IIBD COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(-c3csc(C)n3)cc2)cc1[N+](=O)[O-] 612058840 CGYNEBRFPUZNSH-LBPRGKRZSA-N 433.511 4.075 5 20 IIBD CSc1cccc(C(=O)N[C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] 614423759 HHAXPOOXMSGXOU-YSIASYRMSA-N 425.554 4.347 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1F)Nc1ccccc1I 618963781 ZTYWGFDEJPWOLE-UHFFFAOYSA-N 432.214 4.069 5 20 IIBD Cc1c(NC(=O)C(=O)NCCC(C)(C)c2ccccc2)cc(Br)cc1[N+](=O)[O-] 619532393 FBUOGFMZLCEVQT-UHFFFAOYSA-N 448.317 4.088 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCc3ncc(Cl)n3C)c([N+](=O)[O-])c2)c(C)c1 726594397 LAWVYDGMBLPHAQ-UHFFFAOYSA-N 449.920 4.011 5 20 IIBD Cc1cc(Sc2ncccn2)ccc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 727056191 LBIJDMDREVWLGP-UHFFFAOYSA-N 425.426 4.313 5 20 IIBD CC(NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)(c1ccccc1)c1ccccc1 728848489 QRTMMMYAODQGEM-QGZVFWFLSA-N 447.466 4.167 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 731131002 ZYBFASNQVVQIER-SFHVURJKSA-N 426.860 4.422 5 20 IIBD CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2cscn2)NC(=O)N1Cc1ccccc1 731422167 YAZAOVNEJDHAGK-FQEVSTJZSA-N 449.492 4.231 5 20 IIBD C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 731514540 WSYWTKFLZYGHIX-APPDUMDISA-N 439.251 4.018 5 20 IIBD CC(C)(Oc1cccc(Cl)c1)C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 733011985 LNDHYCFSRBLHTG-UHFFFAOYSA-N 427.240 4.241 5 20 IIBD CC1CCC(N(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Br)C2CC2)CC1 733476237 PDDVKZYXOADXPK-UHFFFAOYSA-N 439.306 4.084 5 20 IIBD Cc1oc(-c2cccs2)nc1COC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 733558853 OCQXYIPDXDEKPX-CYBMUJFWSA-N 447.494 4.029 5 20 IIBD C[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H](C)N1C(=O)OC(C)(C)C 733624593 MBJMHFJNERRXAL-VXGBXAGGSA-N 444.435 4.058 5 20 IIBD CSc1ccc(C(=O)O[C@@H](C)c2nc3cc(Br)cnc3[nH]2)cc1[N+](=O)[O-] 735217619 KKXVBVZOKUURLN-QMMMGPOBSA-N 437.275 4.269 5 20 IIBD Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1ccc([N+](=O)[O-])cc1Br 739496871 LJHAWVREMKEFFY-QFBILLFUSA-N 430.302 4.114 5 20 IIBD CN(Cc1cccc(NC(=O)NCCc2ccccc2[N+](=O)[O-])c1)C(=O)OC(C)(C)C 743171978 PXKXXGRAQXFMTJ-UHFFFAOYSA-N 428.489 4.326 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1c2ccccc2N(C(=O)OC(C)(C)C)C[C@H]1C 743344655 AHLSIZXZAHMMBQ-OAHLLOKOSA-N 447.513 4.242 5 20 IIBD CS(=O)(=O)c1cccc([C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c2ccccc2)c1 743750363 IRAXQAPVYPRHPN-HXUWFJFHSA-N 444.896 4.171 5 20 IIBD COc1ccc(C2(C(=O)O[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CCC2)cc1 744913115 IQNLEAUCIUUOFT-CYBMUJFWSA-N 432.860 4.249 5 20 IIBD C[C@@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 745333246 ONABEJVZZJISFB-SNVBAGLBSA-N 430.766 4.380 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2cccc(CSc3ccccn3)c2)c1 745392600 ZCLLOYIBZFVEFQ-UHFFFAOYSA-N 437.477 4.386 5 20 IIBD CCOc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 745565560 RVMTVMSFSWLLTG-NSHDSACASA-N 426.347 4.196 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 746263950 QKXIIIXRMUDTMK-SJLPKXTDSA-N 437.265 4.225 5 20 IIBD O=C(Nc1ccc(-n2nccn2)cc1C(F)(F)F)N(Cc1ccccc1[N+](=O)[O-])C1CC1 747248190 HVNXZARMULQBSN-UHFFFAOYSA-N 446.389 4.391 5 20 IIBD Cc1c(C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748631841 VURPLVIVOOWQJE-UWVGGRQHSA-N 443.300 4.323 5 20 IIBD CCOc1cc(NC(=O)N(CC)C[C@H](O)c2ccc(C)cc2)c([N+](=O)[O-])cc1OCC 748938161 MIXNUACUQOVFKF-IBGZPJMESA-N 431.489 4.288 5 20 IIBD C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N(C)Cc1ccccc1[N+](=O)[O-] 749830920 XCBONGCIUNAIHG-CYBMUJFWSA-N 441.469 4.086 5 20 IIBD CC[C@@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H](O)c1cccc([N+](=O)[O-])c1 750034344 ALTWZUICTHDAJF-AUUYWEPGSA-N 439.434 4.386 5 20 IIBD Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2cccc(Cl)c2[N+](=O)[O-])c1C 750155901 MEZXHLRQRFYEQH-MRXNPFEDSA-N 445.903 4.125 5 20 IIBD COc1ccc(CN2C(=O)/C(=C/c3cc(O)ccc3[N+](=O)[O-])c3ccccc3C2=O)cc1 751205779 UOVSUHAKFHXECX-FYJGNVAPSA-N 430.416 4.032 5 20 IIBD Cc1cc(F)cc(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)c1[N+](=O)[O-] 753450129 SNSQSDSAGCHUIW-CYBMUJFWSA-N 436.281 4.061 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2C[C@@H](CCN3CCCC3=O)c3ccccc32)c1Br 754053078 WULDQBDSYKSYAG-CQSZACIVSA-N 445.317 4.309 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@H](O)c1c(Cl)cccc1Cl 755814875 FCGUMASGSNCQCN-AWEZNQCLSA-N 448.100 4.056 5 20 IIBD COC(=O)C[C@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1 756967219 SMBXYUJGODNBPS-INIZCTEOSA-N 426.256 4.005 5 20 IIBD CC(=O)c1ccccc1C(=O)O[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 757497408 ZFBYUDIVIIAPNQ-ZDUSSCGKSA-N 439.449 4.105 5 20 IIBD CC(C)n1cnnc1-c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1Br 758640593 XMIPQHMBHMRNIK-UHFFFAOYSA-N 430.262 4.449 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CCc2sc(Br)cc2C1 758810712 SUHACMPYPJBPJE-UHFFFAOYSA-N 446.120 4.380 5 20 IIBD COc1ccc2c(c1)CN(C(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@@H](c1ccccc1)C2 759470629 WSOHOVWCQJJNPX-JOCHJYFZSA-N 446.459 4.121 5 20 IIBD Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C 759804424 MGFJZMLKSPZFMD-INIZCTEOSA-N 440.953 4.243 5 20 IIBD Cc1ccc(C(=O)CC(C)(C)CC(=O)OCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 759835381 KXKYZOBROUZPGF-UHFFFAOYSA-N 438.480 4.025 5 20 IIBD O=C(O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccc(NC(=O)c2cccs2)cc1 759931247 LMGSHYQQVLZHHU-DLBZAZTESA-N 440.481 4.446 5 20 IIBD CC(C)C[C@@H](NC(=O)OCc1ccccc1)c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 761250153 QPPGWXYSLWMVOE-QGZVFWFLSA-N 425.445 4.241 5 20 IIBD CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2csc(Cl)c2Cl)NC(=S)N1 761924575 DFMBHNOPCYSQMF-ZDUSSCGKSA-N 443.337 4.395 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccn(-c2cccc(F)c2)n1 763811066 RFGRKBPYJZTBOD-UHFFFAOYSA-N 431.445 4.015 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 764242132 FEQBQNHFQWJBBG-UHFFFAOYSA-N 426.834 4.252 5 20 IIBD COc1cc(C(=O)OCC2(C3CC3)CCOCC2)c([N+](=O)[O-])cc1OCc1cscn1 764857519 VFTJSFZLROTMKS-UHFFFAOYSA-N 448.497 4.003 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC(=O)Nc1ccc(N2CCCC2)cc1C 765525071 NCZJCWUVPBPPAP-IBGZPJMESA-N 439.512 4.254 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCC(O)(c2ccccc2Cl)CC1 765619116 MGFBSZDTEPKMBZ-UHFFFAOYSA-N 443.931 4.362 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 765722764 FPBWRDJRMIVPDX-MBSDFSHPSA-N 431.533 4.023 5 20 IIBD CCN(CC1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1)C(=O)OC(C)(C)C 766422139 NQHFMOAADQQXCB-UHFFFAOYSA-N 443.342 4.226 5 20 IIBD COc1cc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cnc1Cl 767794040 HXSHGBLNVALTRL-UHFFFAOYSA-N 433.873 4.047 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)O[C@H](Cc2cccc(Cl)c2F)C(C)=O)cc1OC 768417838 AYYCJNLYQHYZQY-MRXNPFEDSA-N 439.823 4.152 5 20 IIBD CC(C)(C)OC(=O)NCCCOC1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 768549324 WHHZZFJYNSTHRA-UHFFFAOYSA-N 427.929 4.144 5 20 IIBD O=C(COC(=O)c1cc(Cl)cc(Br)c1F)Nc1ccc(F)c([N+](=O)[O-])c1 769514825 KMMQZTQPAPCNDW-UHFFFAOYSA-N 449.591 4.084 5 20 IIBD CCOc1cc(-c2noc([C@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)n2)cc(Cl)c1O 771107075 BCCGUBRRERFAMT-MRXNPFEDSA-N 430.804 4.268 5 20 IIBD Cc1cnc(COC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)s1 771854756 DUWPLGOQOCRMCX-UHFFFAOYSA-N 425.466 4.014 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] 774199441 KSFOLKGKUCMMJD-XXFAHNHDSA-N 429.217 4.142 5 20 IIBD Cc1nc(-c2ncccn2)sc1C(=O)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776136489 VRAMMEYMAFHYQV-KRWDZBQOSA-N 433.449 4.158 5 20 IIBD CSc1cccc(C(=O)OCC(=O)c2ccc(NC(=O)CC(C)C)cc2)c1[N+](=O)[O-] 777073990 FPBOMOBICUDRHO-UHFFFAOYSA-N 430.482 4.341 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(NC[C@](O)(c3ccc(Cl)cc3)C(F)(F)F)CC2)cc1 777121741 FGMWHBGAVMCJIT-IBGZPJMESA-N 443.853 4.257 5 20 IIBD COc1cc(COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c([N+](=O)[O-])cc1OCC(F)F 780061097 IYOONANHHGMIHW-UHFFFAOYSA-N 446.746 4.166 5 20 IIBD COC(=O)NCc1ccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1 780735998 SWZLMQMTJOALCH-UHFFFAOYSA-N 437.402 4.068 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)NCCc1ccc(NC(=O)OC(C)(C)C)cc1 782069692 GSDPIUNCOZSWLP-UHFFFAOYSA-N 430.461 4.315 5 20 IIBD Cc1ccc([C@H](C)NCC2(CN[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)COC2)cc1[N+](=O)[O-] 782497981 RGLWJNMENBHGBT-ROUUACIJSA-N 442.516 4.138 5 20 IIBD Cc1nc(-c2ccc([C@@H](C)NC(=O)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2)cs1 783295733 CCDKHZLFHMNOFI-LLVKDONJSA-N 444.900 4.496 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(c2ncccc2F)CC1 784219457 WVRONSBEOIGMKD-UHFFFAOYSA-N 432.521 4.374 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1nnn(Cc3ccc(C(F)(F)F)cc3)c1C)CC2 784603556 VTJMVNPEAQYXQC-UHFFFAOYSA-N 445.401 4.073 5 20 IIBD CCN(C(=O)[C@@H](C)OC(=O)c1sc(Br)cc1[N+](=O)[O-])C1CCCCC1 785033703 ZZNTWDCHYCNDRO-SNVBAGLBSA-N 433.324 4.145 5 20 IIBD CCCc1c(NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cnn1-c1cccc(F)c1 785188523 VPBNDBUCMJXVRB-UHFFFAOYSA-N 445.838 4.103 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1c(F)ccc(Br)c1F 785196195 QJNLKLFRZFLMNM-UHFFFAOYSA-N 440.156 4.043 5 20 IIBD O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 785337693 VOPVXBQTOWOQBW-DAFODLJHSA-N 428.798 4.340 5 20 IIBD COc1ccc(CN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@@H]2CCCC[C@@H]2C)cc1OC 787213772 CTIAJZBWZROERR-MGPUTAFESA-N 427.501 4.415 5 20 IIBD COc1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)cnc1Br 788435345 ZSAPRKLRLFXQDM-UHFFFAOYSA-N 449.286 4.445 5 20 IIBD COC(=O)[C@@H](OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 791330022 LRVJATJJIMIHDR-HNNXBMFYSA-N 443.195 4.189 5 20 IIBD O=C(Cc1cc(-c2ccccc2)on1)Nc1ccc([N+](=O)[O-])c(I)c1 801698651 GLWJNFBPWBYTCE-UHFFFAOYSA-N 449.204 4.036 5 20 IIBD C[C@@H](Cn1ccc2ccccc21)C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 803794083 MWVCERDWJMVNGD-UONOGXRCSA-N 429.860 4.409 5 20 IIBD CC[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1ccc(OC)c(OC)c1 804324323 DZLLSXFVXWJSMJ-ZDUSSCGKSA-N 441.253 4.395 5 20 IIBD COc1c(F)cc(S(=O)(=O)Oc2c(Cl)cc(Cl)c3cccnc23)cc1[N+](=O)[O-] 809853060 YOBAUDHPYBWLEE-UHFFFAOYSA-N 447.227 4.365 5 20 IIBD CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)cc1 809916287 YQTNTXBITYNZHH-CQSZACIVSA-N 448.907 4.426 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N2CCC(c3noc4cc(F)ccc34)CC2)cc1[N+](=O)[O-] 811604034 MXHJRONGHCRWQX-UHFFFAOYSA-N 428.376 4.112 5 20 IIBD CSc1cccc(C(=O)OC[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)c1[N+](=O)[O-] 813156654 CGYWHJRHSNESNF-GFCCVEGCSA-N 446.472 4.366 5 20 IIBD Cc1ccc(C)c(SCc2nc(=O)c3c(C)c(C(=O)O[C@H](C)C[N+](=O)[O-])sc3[nH]2)c1 814042998 ACGICDHTRFECBO-GFCCVEGCSA-N 447.538 4.024 5 20 IIBD CN(C(=O)COC(=O)c1nc(-c2ccccc2)n2c1CCCCC2)c1ccc([N+](=O)[O-])cc1 914915468 AFHYIUQYLZMHHW-UHFFFAOYSA-N 448.479 4.005 5 20 IIBD O=C(Nc1cccc(OC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1)c1ccccc1 916422845 UKNSIVJBSOBUAW-UHFFFAOYSA-N 428.404 4.252 5 20 IIBD CC[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 917857416 YXYOQWMTHUSFSR-CYBMUJFWSA-N 427.320 4.347 5 20 IIBD Cc1cccc([C@@H]2CCCN2S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c1 917930669 FFFGBQMLQDFIDT-HNNXBMFYSA-N 425.304 4.192 5 20 IIBD O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1 919686601 QQKJWNUXTVMYCU-PMQIGOLDSA-N 431.851 4.420 5 20 IIBD CCOc1ccc(C2(CNc3ccc(C(=O)NC(C)C)cc3[N+](=O)[O-])CCOCC2)cc1 919965346 VVGNVTCHALAQBO-UHFFFAOYSA-N 441.528 4.292 5 20 IIBD C[C@H](OC(=O)c1ccc(-n2cnc3ccccc32)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 921176012 QCTFOSOICVKKBD-HNNXBMFYSA-N 430.420 4.118 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(-c2ccc(C)cc2)cc1 1116741328 ODXSMQXBKOLXSN-UHFFFAOYSA-N 427.434 4.125 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3ccn(C4CCCCC4)n3)CC2)ccc1[N+](=O)[O-] 1116886395 RYFSVZRPHQZSIW-UHFFFAOYSA-N 442.520 4.049 5 20 IIBD Nc1c(C(=O)Nc2ccc(Oc3ccccn3)cc2)cc(Br)cc1[N+](=O)[O-] 1116947729 CBYVKPWHODUYSP-UHFFFAOYSA-N 429.230 4.379 5 20 IIBD O=C(Nc1ccccc1C(=O)N1CC[C@H]2OCCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1Cl 1319273643 WCRPTFDMXOQTNL-VBKZILBWSA-N 443.887 4.142 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(S(C)(=O)=O)c(Cl)c1 1320200248 MMINYYPUHRTVQA-UHFFFAOYSA-N 428.919 4.406 5 20 IIBD COc1cccc(N2CCC(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CC2)c1 1320628437 ALMFDWAZVSGMTE-UHFFFAOYSA-N 427.504 4.089 5 20 IIBD CS[C@@H]1CC[C@H](N(C)C(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)C1 1322113964 VRUSREDQDNKRPX-DLBZAZTESA-N 441.553 4.248 5 20 IIBD O=C1[C@H](NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CCCN1Cc1ccccn1 1323785861 OFSWNYLBFCVERO-LJQANCHMSA-N 440.887 4.184 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCOC1 1330072088 ZEVGQRAUVKQSPE-QGZVFWFLSA-N 441.919 4.222 5 20 IIBD O=C(c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)N1Cc2ccc([N+](=O)[O-])cc2C1 1339543592 CBVAVRBFPBZMBC-UHFFFAOYSA-N 443.385 4.228 5 20 IIBD O=C(OCCc1ccc(OC(F)(F)F)cc1)c1cc(Br)ncc1[N+](=O)[O-] 1341730222 ZFTHXSPVJPMPRX-UHFFFAOYSA-N 435.152 4.050 5 20 IIBD CC(=O)Nc1ccc(C2(NC(=O)c3ccc(Br)c([N+](=O)[O-])c3)CCC2)cc1 1787817222 VRKBZDJJXAIVJB-UHFFFAOYSA-N 432.274 4.125 5 20 IIBD C[C@]1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1(F)F 1801208465 GMDVPUKPZWIDJU-MWBIGIAMSA-N 449.479 4.107 5 20 IIBD Cc1ccsc1C(=O)N1CCCC2(CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)C1 1808073878 BLMLBOZWQBUZFF-UHFFFAOYSA-N 441.553 4.052 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)n[nH]1 1821163356 LUJBJLLAXHSGGG-SCLBCKFNSA-N 431.468 4.199 5 20 IIBD CC[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)CC1 1831696882 YYXILZRNFNPGGJ-YFVAEKQCSA-N 444.576 4.373 5 20 IIBD C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 5972783 UMCZYKVTWRXUBU-IRXDYDNUSA-N 425.485 4.153 5 20 IIBD COc1ccccc1N(C(C)=O)c1nc(COC(=O)c2cccc(C)c2[N+](=O)[O-])cs1 9022297 NYCVWRAGUGUWQA-UHFFFAOYSA-N 441.465 4.410 5 20 IIBD C[C@@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)c1ccc(OC(F)F)cc1 9849039 HRGXBCSJWGOFAD-SECBINFHSA-N 444.184 4.387 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)cc1 11028605 MKWRPUWIJNLBFU-SNVBAGLBSA-N 441.665 4.045 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)cc1[N+](=O)[O-] 25034657 MRTVIWRSRFCOTN-OAQYLSRUSA-N 431.408 4.207 5 20 IIBD COc1ccc(NC(=O)CCSc2nnc(-c3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1 26368394 FPMRXKKQKHDBND-UHFFFAOYSA-N 434.861 4.428 5 20 IIBD CNC(=O)c1cccc(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c1 29222001 XMYBAQIRJJFWGH-UHFFFAOYSA-N 439.855 4.330 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CSc3ncnc4c3cnn4-c3ccccc3)n2)c1 31839029 FDHUUKSHJPWVME-UHFFFAOYSA-N 431.437 4.066 5 20 IIBD Cc1sc(NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)nc1-c1ccc(F)cc1 31878505 VJMVKOKORQOSQY-UHFFFAOYSA-N 438.444 4.307 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H](c2ccsc2)N(C)C)cc1 33047480 GJOXVZGSFVLOEB-FQEVSTJZSA-N 441.509 4.490 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NCc2cc(Br)ccc2F)c([N+](=O)[O-])c1 64113270 XRSSQRDOIPQAAU-UHFFFAOYSA-N 433.237 4.073 5 20 IIBD O=C(NCc1ccc(-n2cnc3ccccc32)cc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 116176992 MKGOKZKPFIEVQG-UHFFFAOYSA-N 438.447 4.049 5 20 IIBD COc1cccc(CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C2CCC(O)CC2)c1 116645282 NUNVTRSRCNQSDH-UHFFFAOYSA-N 447.919 4.001 5 20 IIBD CN(Cc1csc(Br)c1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 160109756 FWNIWIAOATYZTC-UHFFFAOYSA-N 434.109 4.454 5 20 IIBD O=C(N=c1sccn1Cc1ccccc1Cl)c1cc(O)nc2ccc([N+](=O)[O-])cc12 255102011 NIPAGMINGJMKGL-UHFFFAOYSA-N 440.868 4.154 5 20 IIBD CC(C)n1c(Sc2ccc(Br)cc2[N+](=O)[O-])nnc1[C@@H]1CCCNC1 301253221 ANHZVAXWGUEDFR-LLVKDONJSA-N 426.340 4.148 5 20 IIBD O=[N+]([O-])c1cnc(Nc2ccc(OCc3noc(C4CC4)n3)cc2)c(Br)c1 301567076 VVWCDEGVWIUWLW-UHFFFAOYSA-N 432.234 4.335 5 20 IIBD CCc1cc(N2CCN(C(=O)CCC3CCCC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 303003616 NITKUCSTILGLSY-UHFFFAOYSA-N 437.544 4.233 5 20 IIBD Cn1ccc2c(NC(=O)CSc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cccc2c1=O 410355781 STUNMHOJSQOCGM-UHFFFAOYSA-N 437.399 4.196 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC(n2cc(Cl)cn2)CC1 426279940 RJCKIBSAVFNECJ-UHFFFAOYSA-N 431.802 4.010 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N(Cc1cccs1)C[C@@H]1CCCO1 426984742 CIRFPILFUSQKIZ-HNNXBMFYSA-N 439.331 4.169 5 20 IIBD O=C(NC1CCCC1)c1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 429830632 XHTXLSQBPCKQLM-UHFFFAOYSA-N 432.274 4.282 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(Sc2ccncc2)cc1 435780400 CPRGIRSECWEOHO-KRWDZBQOSA-N 426.502 4.012 5 20 IIBD COc1cccc(Nc2nnc(Sc3cc(C(F)(F)F)ncc3[N+](=O)[O-])s2)c1 436277259 XPGMFAWBGFMWPH-UHFFFAOYSA-N 429.405 4.764 5 20 IIBD O=C(NC[C@H](CO)Cc1ccc(F)cc1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 442686309 LBJKHKDCWYBAON-QGZVFWFLSA-N 440.496 4.466 5 20 IIBD C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 443109455 PHYIPNPDGMDTLK-WZONZLPQSA-N 446.507 4.152 5 20 IIBD C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N(C)Cc1ccccc1 444000793 FTQWRHIMOXOERB-OAHLLOKOSA-N 435.474 4.210 5 20 IIBD COCc1cc(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)ccc1F 444006004 UKWMFFCQPRFZDL-UHFFFAOYSA-N 426.394 4.175 5 20 IIBD CC(=O)N1CCN(c2ccc(-c3nc(-c4oc5ccccc5c4C)no3)cc2[N+](=O)[O-])CC1 445506005 QDZDTKIWZYWIPQ-UHFFFAOYSA-N 447.451 4.035 5 20 IIBD Cc1cc(-n2cncn2)ccc1C(=O)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] 446428534 VRHHEANEFBEDDM-UHFFFAOYSA-N 429.436 4.315 5 20 IIBD Cc1c(CC(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])nnn1-c1ccccc1 446435005 SBAPXFKZZDMOIO-UHFFFAOYSA-N 443.463 4.244 5 20 IIBD O=C(C1=Cc2cc(Br)ccc2OC1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 460353078 XPIDHVSKPXJNDI-LJQANCHMSA-N 447.310 4.407 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnn1Cc1cnn(-c2ccccc2)c1 462644453 TYAINWOAWSQOQH-FQEVSTJZSA-N 444.495 4.233 5 20 IIBD Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cc1 464674400 ZXORITVBXAWFNK-IBGZPJMESA-N 435.480 4.021 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])N(CCCO)Cc1ccc(Cl)c(Cl)c1 466145666 QIMGNHYSCAFTHL-UHFFFAOYSA-N 426.300 4.038 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1cc(Cl)ccc1OCC1CCC1 467055618 BBSGTPHLTFGMJV-UHFFFAOYSA-N 432.860 4.380 5 20 IIBD Cn1ccnc1[C@@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 467220629 WWNGRLSJKXEOFU-KRWDZBQOSA-N 434.283 4.224 5 20 IIBD O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(F)cc1[N+](=O)[O-] 467289380 TYCZYLDQLBGPGC-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1ccccc1Oc1ccccc1C 469277472 WPLCGJXCWVFKIA-GOSISDBHSA-N 437.500 4.244 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H](CO)Cc1cccc(OC(F)(F)F)c1 475557466 YDZDVKFBYQYROI-OAHLLOKOSA-N 441.406 4.083 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1 477660604 JJVOOVZIADMXGS-UHFFFAOYSA-N 425.392 4.271 5 20 IIBD O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)NCCc1ccc(Cl)cc1[N+](=O)[O-] 479386737 ZTFUIHGTKUZVGZ-UHFFFAOYSA-N 427.675 4.104 5 20 IIBD COc1cc(C(=O)Nc2cc(-c3ccc(OC(F)F)cc3)no2)cc([N+](=O)[O-])c1OC 479868046 XFHNRMANNKDXLB-UHFFFAOYSA-N 435.339 4.121 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCC(F)(F)C(F)F)cc1[N+](=O)[O-] 482117903 COJYPYNYSPUMFC-UHFFFAOYSA-N 430.379 4.178 5 20 IIBD O=C(Nc1ccc(Cc2nnc3n2CCC3)cc1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 484376376 PBMPXIYMPVVTLU-UHFFFAOYSA-N 446.389 4.386 5 20 IIBD O=C(NC1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1)c1ccsc1 485403061 JBUPKFJLMYSNTI-UHFFFAOYSA-N 426.473 4.256 5 20 IIBD Cc1c(Br)cccc1-c1noc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)n1 485858441 XLNRDMMQCZMEGY-NSHDSACASA-N 431.246 4.207 5 20 IIBD COc1ccc(CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1Br 486507105 PKCQXXTVAPTDGP-UHFFFAOYSA-N 442.697 4.061 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)NCCC(c1ccccc1)c1ccccc1 487869205 FVMZMMWSOBDFPJ-UHFFFAOYSA-N 441.487 4.248 5 20 IIBD C[C@H]1CCc2c(sc3nc([C@@H](C)N4CCC(n5ccc([N+](=O)[O-])n5)CC4)nc(O)c23)C1 488771261 QNDINBXOQWRUNB-QWHCGFSZSA-N 442.545 4.025 5 20 IIBD O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1cc(Cl)cc(F)c1Br 496034552 SKRJEVHZSZVLER-UHFFFAOYSA-N 440.616 4.187 5 20 IIBD C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 500219042 OFLLFVSDPFCQTK-OAHLLOKOSA-N 438.509 4.010 5 20 IIBD CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)NC[C@]1(C)C[C@H]1c1ccccc1 501688081 KYNIOYWRGQQLTG-LEDOBFOHSA-N 443.931 4.313 5 20 IIBD CN(C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1[N+](=O)[O-] 501798108 XPKJAZRNDFSYSE-UHFFFAOYSA-N 440.327 4.261 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccn(CCc4ccncc4)n3)cc2[N+](=O)[O-])C1 503358088 TYPNAIZTDQTUCN-ROUUACIJSA-N 448.527 4.164 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCC[C@@H]2CCCCO2)cc1[N+](=O)[O-] 505450688 GYPHGSPDJJZPSV-INIZCTEOSA-N 428.510 4.237 5 20 IIBD CNC(=O)Nc1cccc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 506069743 FHMJLFCKHZVDGI-AWEZNQCLSA-N 434.456 4.167 5 20 IIBD CCOc1cc(CN(C)Cc2ccccc2[N+](=O)[O-])ccc1OCC(=O)N1CCCCC1 507155814 QNRZVWDNGZLDFX-UHFFFAOYSA-N 441.528 4.017 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc(Br)ccc1Br 513031308 LIACPWSJHFSSQK-UHFFFAOYSA-N 442.107 4.435 5 20 IIBD Cc1cc(C)c(Cn2cc(Br)cc([N+](=O)[O-])c2=O)c(OCc2ccccc2)n1 515686632 HHZPUXNMCLCBLH-UHFFFAOYSA-N 444.285 4.158 5 20 IIBD CCOC(=O)CN(CC)C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 515725521 URUDZRGJCUOAHO-UHFFFAOYSA-N 445.522 4.381 5 20 IIBD O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)c1cc2cc([N+](=O)[O-])ccc2s1 516376436 CYSCHRBBMKQHLW-LBPRGKRZSA-N 441.292 4.286 5 20 IIBD Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)c12 518858000 RRGHKBKHNNBOOO-CQSZACIVSA-N 442.479 4.401 5 20 IIBD COc1ccc([C@H]2CCCN2C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 520445238 LLSBLBNVUKNXFV-XJKSGUPXSA-N 434.876 4.396 5 20 IIBD COc1cc(OCC(=O)Nc2ccc(OC(C)C)cc2C(F)(F)F)ccc1[N+](=O)[O-] 520624566 NMMKFMJNYOOMSB-UHFFFAOYSA-N 428.363 4.427 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(COC2CCCCC2)c1 520677500 WTXKCGDOCMGULA-UHFFFAOYSA-N 425.485 4.203 5 20 IIBD CCN(Cc1ccc(OC)cc1OC)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 521209024 NMLNEEVUAATILV-UHFFFAOYSA-N 425.388 4.267 5 20 IIBD O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 521474680 VEGDNDFJKPVFJE-OAQYLSRUSA-N 439.903 4.001 5 20 IIBD C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 522360931 BIDVEAIYEBZGOD-OAHLLOKOSA-N 436.468 4.088 5 20 IIBD COc1ccc(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1NC(=O)C1CCCCC1 523872814 RMFWSWQMCLPHIE-UHFFFAOYSA-N 447.513 4.269 5 20 IIBD CSc1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)cc1[N+](=O)[O-] 524414750 PWMDGCGSMMADNN-UHFFFAOYSA-N 434.275 4.117 5 20 IIBD CC(C)(C)c1ccc(S(=O)(=O)CCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 524611907 HCHCZUGZQFMUNR-UHFFFAOYSA-N 439.921 4.141 5 20 IIBD COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)Cc1cccc([N+](=O)[O-])c1)CC2 525628927 RJNGSMZPZPVGKS-HSZRJFAPSA-N 438.505 4.390 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)[C@H]1CCCC[C@H]1N(C)C1CCN(C)CC1 534205350 CCHUTMZCEMAZTL-RTWAWAEBSA-N 431.581 4.013 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 535674129 FHWACFNLOMUMMJ-BFUOFWGJSA-N 436.871 4.210 5 20 IIBD COc1ccc([C@H](OC)[C@@H](C)NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 536774673 ATGQOLUQWUZWFH-WGDIFIGCSA-N 430.504 4.056 5 20 IIBD Cc1c(NC(=O)CCNC2(c3ccc4c(c3)OCCO4)CCCC2)cccc1[N+](=O)[O-] 537041086 NKVQGIQWUIJRHP-UHFFFAOYSA-N 425.485 4.062 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1CN1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 537694164 AQLHRIPACYUUKX-UHFFFAOYSA-N 433.892 4.203 5 20 IIBD COc1ccc(C(=O)C2CCN(C(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])CC2)cc1 537953741 GQHYNCUMLCIFFX-UHFFFAOYSA-N 445.475 4.401 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncccc2-c2ccccc2)c(Br)c1 538849111 KGSFKLJJOXDGAO-UHFFFAOYSA-N 434.271 4.220 5 20 IIBD O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1C(F)(F)F 538856751 NZWXUDKWUVJUEJ-UHFFFAOYSA-N 430.282 4.313 5 20 IIBD O=C(Nc1ccc(Oc2ccncc2)cc1)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 539448050 CDCRMZWJFMTCQA-UHFFFAOYSA-N 434.437 4.304 5 20 IIBD CNC(=O)c1ccc(C)c(NCc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])c1 539938327 KSEPQZJXHCOQCG-UHFFFAOYSA-N 435.480 4.463 5 20 IIBD COc1cccc2c1CCN(C(=O)c1ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c1)C2 541167972 ZWXIAQPLJIFOMO-INIZCTEOSA-N 432.480 4.370 5 20 IIBD CCC[C@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 541738837 SQWIRFKKNBNHDJ-SFHVURJKSA-N 431.514 4.190 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCNCc2ccc(-c3nc4ccccc4s3)o2)cc1 541760338 IBJVDMFSHAPWQR-UHFFFAOYSA-N 443.506 4.028 5 20 IIBD Cc1cnc(C(C)(C)N[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)s1 542580213 JMDZZWPPKLKMKP-LBPRGKRZSA-N 431.543 4.335 5 20 IIBD COc1ccc(Br)cc1-c1noc(-c2ccn(-c3ccccc3[N+](=O)[O-])n2)n1 545630991 SRCGJNCABPRWFR-UHFFFAOYSA-N 442.229 4.269 5 20 IIBD COc1ccc(Cc2noc(C(F)(F)c3ccc([N+](=O)[O-])cc3)n2)c(Cl)c1OC 546369536 QQASOMYEVGMWGM-UHFFFAOYSA-N 425.775 4.379 5 20 IIBD CCn1c(S[C@@H](Cc2ccc(Cl)cc2)C(N)=O)nc2cc3ccccc3cc2c1=O 546899344 MIMQYYVKJRUCBY-FQEVSTJZSA-N 437.952 4.412 5 20 IIBD Cc1ccccc1Nc1nc(CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)cs1 551764013 CQQPIANLMAXBFN-NRFANRHFSA-N 437.481 4.071 5 20 IIBD Cn1c(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nc2cc(Cl)ccc21 555192631 UFKFNCIDWHVBNW-UHFFFAOYSA-N 441.797 4.153 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCc2c([nH]c3ccccc23)C1 555963718 GTHAZYDGZBXCHQ-UHFFFAOYSA-N 426.281 4.130 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(O)c1)N(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 557449064 PEKPAJKNKKOORN-QFIPXVFZSA-N 446.507 4.002 5 20 IIBD O=C(Nc1ccc2c(c1)N(CC(F)F)CCS2)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 560126736 AHQZLLBLACAIOZ-UHFFFAOYSA-N 445.451 4.210 5 20 IIBD O=C([C@H]1CN(Cc2ccccc2)CCC1(F)F)N(Cc1ccccc1[N+](=O)[O-])C1CC1 560598607 HGVVLHFCNMJTIR-HXUWFJFHSA-N 429.467 4.243 5 20 IIBD CSC[C@@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)C1 561904098 IRYQWSUJLKWIIV-MRXNPFEDSA-N 441.553 4.107 5 20 IIBD C[C@@H](C(=O)N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cccc([N+](=O)[O-])c1 568466742 REFTWYZZOWXJNS-KUHUBIRLSA-N 449.429 4.025 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2nc(-c3cccs3)nn2C)cc1[N+](=O)[O-])c1ccccn1 568933045 CKJMMVRHXLYYRA-ZDUSSCGKSA-N 449.496 4.272 5 20 IIBD CO[C@@H](c1ccc(F)cc1)c1noc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 574365001 SBIXOTFMNMOUQT-MOPGFXCFSA-N 440.431 4.138 5 20 IIBD O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1C[C@H]1c1ccc(Br)s1 577211860 MZVIAZZXQIJLAN-UKRRQHHQSA-N 449.330 4.298 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(Cc1nc(O)c3c(-c4ccccc4)csc3n1)CCO2 582934527 VFHRSPCZSRNVPL-UHFFFAOYSA-N 434.477 4.367 5 20 IIBD O=C(N[C@@H]1CC[C@](O)(C(F)(F)F)C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 590426558 ISNXPUAHLYVWOP-KZULUSFZSA-N 426.416 4.322 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3nc(-c4ccco4)n[nH]3)cc2[N+](=O)[O-])n1 603458108 XLVJIQHVYJRSAR-UHFFFAOYSA-N 428.455 4.141 5 20 IIBD Cc1nc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c2cc(-c3ccccc3)sc2n1 603580266 JZBSTHZFSKNHJJ-UHFFFAOYSA-N 432.509 4.297 5 20 IIBD COc1cc(OC)c(C2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)c(OC)c1 603643178 UPCLFQFLAVUAJQ-UHFFFAOYSA-N 429.473 4.341 5 20 IIBD C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 603873892 NEXNLIGZVBAYPZ-SFHVURJKSA-N 431.496 4.125 5 20 IIBD Cc1nc(-c2ccc(NC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)cc2)oc1C 603940528 ZDRNONJFOVIUFL-UHFFFAOYSA-N 436.424 4.193 5 20 IIBD CCN(CCNc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-])C(C)C 608831622 UAKAQWGKUQKHPE-UHFFFAOYSA-N 434.562 4.155 5 20 IIBD O=C1[C@H](Sc2nnc(Cc3c(F)cccc3Cl)o2)CCN1c1cccc([N+](=O)[O-])c1 609450423 VRELBIMTXJDOCI-MRXNPFEDSA-N 448.863 4.259 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCCN1Cc1cccc(Cl)c1 609471409 FYHJLDHGMYZLOZ-FQEVSTJZSA-N 430.936 4.444 5 20 IIBD O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 609530076 NPMVXHDTLGCKPF-UHFFFAOYSA-N 425.416 4.006 5 20 IIBD Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609762958 VAVOYBBQAJKUJR-UHFFFAOYSA-N 426.450 4.351 5 20 IIBD CN(C)C(=O)c1ccc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cc1 609853999 BCDYJUPZYBAYFV-UHFFFAOYSA-N 448.266 4.041 5 20 IIBD COc1ccc(-c2noc(COc3ccc([N+](=O)[O-])cc3Br)n2)c(OC)c1 609961807 JCIGOJXAPMFZEH-UHFFFAOYSA-N 436.218 4.004 5 20 IIBD CCOC(=O)c1ccccc1N(CC)C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] 610108382 XPOQEACGWMNDMP-UHFFFAOYSA-N 438.383 4.048 5 20 IIBD Cc1cnc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SC3CCCC3)CC2)s1 611206912 IMYGWNAEBSHRLV-UHFFFAOYSA-N 432.571 4.357 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CCC(OC[C@H]2CCOC2)CC1 612322205 DRNAOMCDYUFONM-INIZCTEOSA-N 434.558 4.287 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCC(OCc3ccccc3F)CC2)c(C)c([N+](=O)[O-])c1 617020275 YECXVWYWJJCWTE-UHFFFAOYSA-N 445.447 4.042 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(OC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)cc2)cc1 727381308 GSPAOKZMNBLJGW-UHFFFAOYSA-N 434.404 4.146 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 730246304 URGIZYHKJVSHRL-HUUCEWRRSA-N 437.562 4.227 5 20 IIBD Cc1ccc(-n2nc(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)c3c2CCC3)c(C)c1 730375851 LWWSOEPZINSHAQ-UHFFFAOYSA-N 449.463 4.110 5 20 IIBD COc1ccc(C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)c(Cl)c1 730960009 NCYAYCBABUEHRR-UHFFFAOYSA-N 430.848 4.358 5 20 IIBD Cc1ccc(Cc2nnc(NC(=O)c3cc([N+](=O)[O-])ccc3Br)s2)cc1 730991490 KNGJFZJSPYRSBO-UHFFFAOYSA-N 433.287 4.360 5 20 IIBD CC(C)(C)OC(=O)NC1(c2noc(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)CCC1 731807950 WJWOQODSXGOZNV-UHFFFAOYSA-N 429.477 4.149 5 20 IIBD COC(=O)C1=C(C)N(Cc2cccs2)C(=O)N[C@H]1c1ccc(C(C)C)c([N+](=O)[O-])c1 732002854 MUFXFGIPFJOSHR-IBGZPJMESA-N 429.498 4.493 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1csc(Cc2ccccc2F)n1 735557347 ATIFWFJEJREHEI-UHFFFAOYSA-N 440.412 4.188 5 20 IIBD C[C@@H]1C[C@@H]1[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccc(Cl)cc1 741998151 IGFMBBXUKYAQBC-LRKKELKTSA-N 445.878 4.254 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)c1 745386403 SZKQZKMEUIWRSA-FQEVSTJZSA-N 428.441 4.166 5 20 IIBD C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1 746438421 CMXWIIDQIMBLCZ-OAHLLOKOSA-N 446.419 4.199 5 20 IIBD C[C@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 747958663 RTGTVYVEFWZMQL-QDEZUTFSSA-N 431.514 4.205 5 20 IIBD Cc1nn(C)c(=O)c(-c2nc(CSc3nc4ccc([N+](=O)[O-])cc4s3)cs2)c1C 750001204 VQNVMHLDEOYJDV-UHFFFAOYSA-N 445.551 4.331 5 20 IIBD CC(C)(C)OC(=O)NCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 751501858 QEOAAGUFQXOBHQ-UHFFFAOYSA-N 440.294 4.232 5 20 IIBD C[C@H]1C[C@H](CCNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 753149380 LZMFTODTIFCPLA-LSDHHAIUSA-N 445.903 4.436 5 20 IIBD O=C(N[C@H]1CC[C@H](O)CC1)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 753730379 YUHRIDPQSMQZHY-AQYVVDRMSA-N 437.540 4.087 5 20 IIBD COc1c(Br)cc(Cl)cc1S(=O)(=O)Oc1cccc(C)c1[N+](=O)[O-] 755281475 HVCWAWUEQUWXFG-UHFFFAOYSA-N 436.667 4.095 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 755371633 ZTQJMPUKJJPDBH-UHFFFAOYSA-N 435.234 4.118 5 20 IIBD C[C@H](OC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(Cc2ccccc2)C1 755868336 HUDZXVBYKJJXQM-PXNSSMCTSA-N 434.496 4.063 5 20 IIBD O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)NCc1cc([N+](=O)[O-])ccc1Cl 756999207 XSYYZKPFUYCIJG-HNNXBMFYSA-N 426.281 4.021 5 20 IIBD C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 760199165 QPZACXDDBHCOLE-OAHLLOKOSA-N 445.903 4.312 5 20 IIBD O=C(NCc1ccncc1)Nc1cccc(CNCc2ccc([N+](=O)[O-])c(Cl)c2)c1 761528009 XBODQMVBTWKNCX-UHFFFAOYSA-N 425.876 4.255 5 20 IIBD CS(=O)(=O)Cc1ccc(-c2nc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)no2)o1 761857321 FSUQMPNMDMNTKD-UHFFFAOYSA-N 441.421 4.242 5 20 IIBD C[C@H](C(=O)OCC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1)c1cccc([N+](=O)[O-])c1 763419818 BVRZGLMIVAXZJA-QKKBWIMNSA-N 442.468 4.348 5 20 IIBD COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1cc(F)c([N+](=O)[O-])cc1F 763444020 QDADJFYELWQFFO-OAHLLOKOSA-N 433.194 4.166 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCC(CCCN(C)C)CC2)c1=S 766379172 BCEQGBOROAGRIC-UHFFFAOYSA-N 432.594 4.020 5 20 IIBD CN(C)c1ccc(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C(N)=O)c1 769176116 JNCZEEVGGZDPQB-UHFFFAOYSA-N 436.493 4.163 5 20 IIBD C[C@@H](OC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 769673933 SZXGKVRRYMZVJH-SNVBAGLBSA-N 437.235 4.473 5 20 IIBD C[C@@H](OC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1Cl 770158239 YMNFMMJIEQPPCS-MRVPVSSYSA-N 445.628 4.334 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1ncoc1-c1ccc2c(c1)OCCO2 770329901 CCIFKBMPGRSKAU-UHFFFAOYSA-N 446.213 4.036 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCCNc2ccc(C(F)(F)F)cn2)cc1SC 770619251 FQQZTHUEZKQINS-UHFFFAOYSA-N 431.392 4.008 5 20 IIBD COc1ccc([C@H](OC)[C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 772459832 JOMLUCBPZQDCBX-KSFYIVLOSA-N 427.501 4.100 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(=O)c1ccc([N+](=O)[O-])c3cccnc13)C2 773365875 ZKHVVLLDTZFAMM-UHFFFAOYSA-N 440.500 4.006 5 20 IIBD Cc1ccc(N2CCC(C(=O)OCc3ccc(Br)c([N+](=O)[O-])c3)CC2)nc1 773403067 NJJDOYGXBLFXLJ-UHFFFAOYSA-N 434.290 4.021 5 20 IIBD C[C@@H](CCOC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1c[nH]c2ccccc12 774572393 LEBXOKWBGCUVTG-KBXCAEBGSA-N 441.509 4.479 5 20 IIBD Cc1c(C(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] 776218535 RYLNJGZGHXYGPT-LJQANCHMSA-N 438.352 4.061 5 20 IIBD C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F 777120872 CCJFTNDSLKRZAR-KZULUSFZSA-N 445.825 4.005 5 20 IIBD O=C1CCCN1CC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)c2ccccc21 780778817 GMPVWGMGWVIXKN-HNNXBMFYSA-N 431.439 4.313 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N[C@H](CCc1ccccc1)C(F)(F)F 781717482 HFCCEQLROIXEEA-QGZVFWFLSA-N 425.363 4.116 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cccc([N+](=O)[O-])c1Br 782162658 RCCADUCQRGLXRH-UHFFFAOYSA-N 429.274 4.090 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 784437338 DHMVPKLZTIICMY-IBGZPJMESA-N 445.438 4.381 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N2CCC(c3ccccc3)CC2)cc1[N+](=O)[O-] 784654687 NZCOLSHCAHYIEG-UHFFFAOYSA-N 446.301 4.010 5 20 IIBD O=C(COC(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)NC(=O)NC1CC1 785639703 DOGIDVTXTLJSJZ-UHFFFAOYSA-N 442.471 4.078 5 20 IIBD C[C@@H](OC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])C(=O)c1c[nH]c2ncccc12 787253281 SGDWLUSDTLBYOC-OAHLLOKOSA-N 445.431 4.478 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cc(Br)ncc1Cl 787607941 YSFWVUPGZVSFFI-UHFFFAOYSA-N 438.587 4.355 5 20 IIBD C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(I)c2)[C@H]1c1ccccc1 787809407 PKNLDICLXZCDTK-MEDUHNTESA-N 437.237 4.424 5 20 IIBD COc1ccc(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(OC(F)F)c1 789236227 ROKHQVRBFARZQF-SECBINFHSA-N 444.774 4.042 5 20 IIBD CCCOc1cc(NC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)c([N+](=O)[O-])cc1OCCC 790515622 DVILYSSAAHRBNC-HSZRJFAPSA-N 442.468 4.283 5 20 IIBD COc1cccc(Oc2ncccc2CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c1 790555239 MXQTVDSEYOXZNT-UHFFFAOYSA-N 445.834 4.442 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccc(-c2nnc3n2CCCC3)cc1 790561057 MNYRDUZKIGWRJI-UHFFFAOYSA-N 429.839 4.163 5 20 IIBD O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 791228628 HVFAPGCHHGEJPG-UHFFFAOYSA-N 449.385 4.099 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1ccnc(F)c1F 795669062 QMHISJFMNBXLPT-KRWDZBQOSA-N 447.781 4.458 5 20 IIBD Cn1cc2c(n1)CCC[C@H]2C(=O)Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1 798353532 LSJYGEPCDHEDLR-GOSISDBHSA-N 445.431 4.127 5 20 IIBD O=C(COC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)Nc1cc([N+](=O)[O-])ccc1Cl 801895138 KHWZAQAZNPITTE-HNNXBMFYSA-N 434.729 4.460 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[C@H](O)c2ccccc2)c(Cl)c1 808342377 VHYZVEQPBQQSFE-VQTJNVASSA-N 432.885 4.001 5 20 IIBD C[C@@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(N2CCCCC2=O)cc1 810129018 CGQJLABLTREEQM-CQSZACIVSA-N 430.892 4.054 5 20 IIBD CC(=O)Nc1ccc(NC(=O)CNc2c(F)ccc([N+](=O)[O-])c2C)c(C(F)(F)F)c1 811770309 BJNKYMWHTNDSLN-UHFFFAOYSA-N 428.342 4.070 5 20 IIBD C[C@@H](C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(Br)c1 812608768 USSIROVDISBHPC-SNVBAGLBSA-N 441.665 4.296 5 20 IIBD CCOc1ccc([C@@H](O)C2CCN(C(=O)c3cc(SC)ccc3[N+](=O)[O-])CC2)cc1 812666066 HYRKTTVCMHBGBN-OAQYLSRUSA-N 430.526 4.301 5 20 IIBD C[C@@](O)(C(=O)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)C1CCC1 812679619 MIDZVAVVFNHIBM-RXVVDRJESA-N 432.860 4.022 5 20 IIBD CCOc1ccc(C(=O)O[C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] 816399569 SBHNBOUVFDZQDV-JLTOFOAXSA-N 430.432 4.042 5 20 IIBD CCOC(=O)C1=C(C)N([C@@H](C)CC)C(=O)N[C@H]1c1ccc(Br)c([N+](=O)[O-])c1 839950359 QBZXHRIQLSJJFR-QFYYESIMSA-N 440.294 4.059 5 20 IIBD C[C@@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)Nc1cc(Cl)ccc1F 856475648 AMEIULHQWKUNRB-CYBMUJFWSA-N 449.866 4.174 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cc1[N+](=O)[O-] 912415179 HMLSZFRZEGFVLQ-LJQANCHMSA-N 432.864 4.032 5 20 IIBD Cc1ccc(C)c(N(C)C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 917831439 SLXDLTBEOSHCHV-UHFFFAOYSA-N 440.477 4.256 5 20 IIBD C/C=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c(OC)c1 917849322 PNXMBGJLKZFWHC-ONEGZZNKSA-N 428.260 4.167 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1Br 918141974 AQIDWQKMYGQUKS-UHFFFAOYSA-N 425.182 4.177 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)cc1[N+](=O)[O-] 920006332 HIMLKIZXAGAXRY-UHFFFAOYSA-N 426.429 4.126 5 20 IIBD C[C@H](OC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)C(=O)NC1CCCCC1 920546230 WMKGQZZGLLENDO-HOTGVXAUSA-N 440.500 4.157 5 20 IIBD C[C@@H](Oc1cccc(Cl)c1)c1nnc(-c2cc([N+](=O)[O-])ccc2N2CCOCC2)o1 1117284327 KCRRXABAOXFXTL-CYBMUJFWSA-N 430.848 4.275 5 20 IIBD Cc1nc(CSCC(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cs1 1317737934 REBRIJYDYUQIRK-UHFFFAOYSA-N 443.506 4.451 5 20 IIBD Cc1ccc(Sc2ccc(CN[C@H](Cn3cc(Cl)cn3)C(=O)O)cc2[N+](=O)[O-])cc1 1320872318 MDBKAEAWSUJQPY-QGZVFWFLSA-N 446.916 4.147 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCCc2ccc(N(C)C)cc2)cc1[N+](=O)[O-])c1ccccn1 1325364420 CWCOGLDUDQMLMB-QGZVFWFLSA-N 433.512 4.201 5 20 IIBD O=C(NCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1C(F)(F)F 1327213463 SWJDSCWHMKAEQT-UHFFFAOYSA-N 433.386 4.393 5 20 IIBD Cn1ccnc1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 1336531030 IUSVAKRTBPRZCE-MRXNPFEDSA-N 428.558 4.458 5 20 IIBD COc1cc(CC(=O)Nc2ccc(C3(NC(=O)C4CCC4)CCC3)cc2)ccc1[N+](=O)[O-] 1790478170 XLJDAYGNQMLQEY-UHFFFAOYSA-N 437.496 4.080 5 20 IIBD CC(C)(C)OCC(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)CCC1 1790622963 YDVZGGCWDZZEGI-UHFFFAOYSA-N 443.475 4.297 5 20 IIBD COc1cc(C(=O)NC2(c3ccc(NC(=O)C45CC(C4)C5)cc3)CCC2)ccc1[N+](=O)[O-] 1792035542 HLLKTVHHXYFXEB-UHFFFAOYSA-N 435.480 4.151 5 20 IIBD CC(C)/C=C/C(=O)N1CCC2(CCCN(C(=O)Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 1805488247 TTWPVSXUFQXGGM-QPJJXVBHSA-N 447.963 4.234 5 20 IIBD CCC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)CC2)CCC1 1828477647 AMTSZAMLFSUAIL-LJQANCHMSA-N 443.544 4.114 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC([C@H]2CCCCN2C(=O)C2CC2)CC1 1832527980 NIOUIRLRJUGDQE-LJQANCHMSA-N 441.553 4.453 5 20 IIBD O=C(C1=CCCC1)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc(F)ccc2[N+](=O)[O-])CC1 1832887834 ZAVFPSYZPBQEMH-NRFANRHFSA-N 443.519 4.006 5 20 IIBD CC1(C)CCC(CC(=O)N2CCCC23CN(C(=O)c2cccc(F)c2[N+](=O)[O-])C3)CC1 1845258354 BQZUEVGVKJAAKC-UHFFFAOYSA-N 431.508 4.157 5 20 IIBD Cc1cc(C(=O)N2CC3(CCCN3C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C2)c(C)o1 1845738605 DEBCGNFQBNZQJQ-UHFFFAOYSA-N 439.493 4.150 5 20 IIBD C[C@@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)N[C@H](C)c1ccc(F)cc1 10722908 QDENPBXOIRLPSB-IAGOWNOFSA-N 446.478 4.103 5 20 IIBD O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 17369753 VWNBIYDXFQBUEZ-NRFANRHFSA-N 441.484 4.151 5 20 IIBD C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 21684743 DFDYTLBXUPBXEB-CYBMUJFWSA-N 441.488 4.370 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)nc2sc(C)c(C)c2c1=O 22071720 NKDFVCCUSLJJLG-ZDUSSCGKSA-N 446.554 4.431 5 20 IIBD Cc1c(C(=O)NCCC(c2ccccc2)c2ccccc2)nnn1-c1cccc([N+](=O)[O-])c1 24352990 MNYBFAITUOIYSU-UHFFFAOYSA-N 441.491 4.436 5 20 IIBD COc1ccc(C(C)(C)C)cc1NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O 24636148 NYUXNFUXULWEND-UHFFFAOYSA-N 436.468 4.008 5 20 IIBD CC(=O)NCCc1ccc(C(=O)COc2ccc([N+](=O)[O-])cc2Cc2ccccc2)s1 31767753 ZPBDHFTZTGSBSW-UHFFFAOYSA-N 438.505 4.187 5 20 IIBD COc1ccc2c(C)cc3nnc(S[C@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4)n3c2c1 58152646 BTUGDEYBOMVBTN-CYBMUJFWSA-N 437.481 4.227 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CSc1nnc([C@H](C)N(C)C)n1-c1ccc(F)cc1 58165300 FGGCVWMRAXHZQZ-ZDUSSCGKSA-N 431.493 4.238 5 20 IIBD COc1cc(C(=O)NCc2ccc(CN3C[C@@H](C)C[C@H](C)C3)cc2)c([N+](=O)[O-])cc1OC 59410393 DHVRWBCIIDSKBL-IRXDYDNUSA-N 441.528 4.020 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCc1ccc(OC(F)(F)F)cc1 64420981 LEMGLWSILXTSSK-NSHDSACASA-N 432.782 4.273 5 20 IIBD Cc1ccccc1-c1cc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)[nH]n1 65318400 NCAPMSLOUZKALF-UHFFFAOYSA-N 430.468 4.407 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCCc3c(C(N)=O)cccc32)cc1[N+](=O)[O-] 97392598 RIZYADMULRTDGR-UHFFFAOYSA-N 427.526 4.425 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N(Cc1cccs1)C[C@H]1CCCO1 105500526 WJLUTOHOIHIJOJ-GOSISDBHSA-N 432.545 4.424 5 20 IIBD Cc1ccc(-n2c(Sc3ccc([N+](=O)[O-])c4cnccc34)nnc2N2CCOCC2)cc1 248125260 UVINYOZGOHSJQP-UHFFFAOYSA-N 448.508 4.020 5 20 IIBD C[C@@H]1Oc2ccc(C(=O)C3CCN(c4ccc([N+](=O)[O-])cc4Cl)CC3)cc2NC1=O 301138603 BAJWCNUITJBECN-LBPRGKRZSA-N 429.860 4.067 5 20 IIBD O=C(NC1CCN(Cc2ccc(F)c(F)c2)CC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 426023178 SDXCGFYGXZAGME-UHFFFAOYSA-N 444.482 4.212 5 20 IIBD C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCCN(C2CCC2)C1 426189109 YEDTWCLLAMRAQB-UKRRQHHQSA-N 428.455 4.066 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NCc1cc(Cl)cc2c1OCC2 426203408 ZOKNMEZBISVGNZ-UHFFFAOYSA-N 429.782 4.201 5 20 IIBD O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 426826332 DTBLDJOMWFILKA-IGWOWPFTSA-N 435.274 4.206 5 20 IIBD C[C@@H](c1ccc(Br)cc1)[S@@](=O)CCC(=O)Nc1ccccc1[N+](=O)[O-] 427186392 RQKOYPFCQCCOHJ-VDBVYFBLSA-N 425.304 4.196 5 20 IIBD CCc1c(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cnn1CCC(C)C 427226137 QXRZMMADLWQHIK-UHFFFAOYSA-N 426.420 4.262 5 20 IIBD CCOc1ccc([C@@H](C)NC[C@H](CO)Cc2cccc(Br)c2)cc1[N+](=O)[O-] 429451714 YAZHLRXYBJJCSG-GDBMZVCRSA-N 437.334 4.258 5 20 IIBD Cc1cc(C(=O)COc2c(Br)cccc2[N+](=O)[O-])c(C)n1-c1nccs1 431232916 DNKXIBRYGRMEJO-UHFFFAOYSA-N 436.287 4.483 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(O)c(Br)cc1Br 431446610 RQXWZRXZBKYWOK-UHFFFAOYSA-N 430.052 4.386 5 20 IIBD CC(=O)Nc1ccc(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cn1 433676130 TXXZRSPLXMODHI-UHFFFAOYSA-N 440.843 4.324 5 20 IIBD CC(C)c1ncc(CN(C)[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cn1 440480175 JBGLLKWROAXFPV-AWEZNQCLSA-N 440.529 4.091 5 20 IIBD O=C(N[C@@H]1CCN(c2ccccc2OC(F)F)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 444026820 ZKBWHBOMUDIAAJ-MRXNPFEDSA-N 449.457 4.291 5 20 IIBD O=C(Nc1cc([C@H]2C[C@H]3CC[C@H]2C3)[nH]n1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444080599 AORONBBEUPVVNE-HUBLWGQQSA-N 434.446 4.839 5 20 IIBD COc1cc(NC2CCN(Cc3coc(-c4ccccc4)n3)CC2)c(F)cc1[N+](=O)[O-] 444867241 BPACBDPGMQBEMP-UHFFFAOYSA-N 426.448 4.474 5 20 IIBD Cc1cc(-c2cc(-c3nc(-c4c([N+](=O)[O-])nc(C)n4C)no3)c3c(C)noc3n2)c(C)o1 445608173 ACWFIHUYDJVWKP-UHFFFAOYSA-N 435.400 4.075 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1 446077370 BVUOZDATDSEPRG-UHFFFAOYSA-N 426.450 4.351 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 446489819 DOOLFIFEMWWIEH-UHFFFAOYSA-N 435.322 4.261 5 20 IIBD CCOC(=O)[C@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)Cc2ccccc21 448196587 LLLKDZSDLDMSIK-SFHVURJKSA-N 437.477 4.021 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)c1 460751666 JWUFCAQRTKWUKG-UHFFFAOYSA-N 440.500 4.124 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1C[C@@H](CO)[C@H](c2ccc(Cl)cc2)C1 461260137 BESCDMJVXSBYGM-GUYCJALGSA-N 428.794 4.115 5 20 IIBD C[C@H]1Cc2ccccc2CN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCCO1 461847596 YFCFRTWOPGCYJW-HTAPYJJXSA-N 433.512 4.374 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCO[C@H](C2CC2)C1 462175720 LVLCXVCNQBTNKG-OFNKIYASSA-N 446.507 4.064 5 20 IIBD CCCCCNC(=O)C1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 462503345 RQORSXHUEWMKHY-UHFFFAOYSA-N 426.517 4.092 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2c3ccccc3CCC[C@H]2C)cc1OC 462581830 SKCSOPZFHTWFME-IVZQSRNASA-N 428.485 4.072 5 20 IIBD COc1ccc(C(=O)NCC(=O)N(Cc2ccccc2)[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] 462592124 JSBXJXKYKSRHKN-SFHVURJKSA-N 447.491 4.123 5 20 IIBD CN(Cc1nccn1Cc1ccccc1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 464283997 HPCBNNPLIOHLHF-UHFFFAOYSA-N 436.515 4.058 5 20 IIBD O=C(NCc1cc(Cl)c2c(c1)OCCCO2)NCc1ccc([N+](=O)[O-])cc1Cl 466588095 JBRCHWIVBHMPJX-UHFFFAOYSA-N 426.256 4.062 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3C[C@H](C)OC4(CCOCC4)C3)cc2[N+](=O)[O-])cc1 468478110 FVYLUJKDENULMK-KRWDZBQOSA-N 442.537 4.465 5 20 IIBD CCOc1ccc([C@H](C)N[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1[N+](=O)[O-] 468823411 CPTLEMHCACUXRI-LIRRHRJNSA-N 433.455 4.114 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)N2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)c1 472718677 WWZHLKVMCOKKAL-MRXNPFEDSA-N 432.445 4.092 5 20 IIBD COc1c(C(=O)N2C[C@@H](C)C(=O)N(Cc3ccccc3)c3ccccc32)cccc1[N+](=O)[O-] 476266357 YJZFFCPSWIFSCW-QGZVFWFLSA-N 445.475 4.433 5 20 IIBD CCn1c(SCC(=O)N(C)[C@H](C)c2ccccc2)nnc1-c1ccc([N+](=O)[O-])cc1 481345272 SMJFQUJAHLSLLX-OAHLLOKOSA-N 425.514 4.185 5 20 IIBD COc1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc1NC(=O)c1cccc(F)c1 482602304 IKXKXQFYIGOXDW-UHFFFAOYSA-N 439.399 4.012 5 20 IIBD CC[C@H](NC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)c1cc(F)cc(Br)c1 486703359 PFICCLLKRVCFGQ-HNNXBMFYSA-N 438.253 4.011 5 20 IIBD C[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCN(Cc2ccccc2)C1 487407182 RQIXZAQRZITCHD-VQIMIIECSA-N 436.537 4.359 5 20 IIBD O=C(Nc1ccccc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccccc1 488207633 XOLDGQCLCPIDEZ-UHFFFAOYSA-N 427.420 4.285 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CNc3cc(Cl)ccc3OC[C@@H]3CCOC3)n2)cc1 488230387 YTNPYXLUWLBWMT-CYBMUJFWSA-N 430.848 4.326 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N[C@H](CO)c2ccc(Br)c(F)c2)c1Br 488727337 WRXXFPSEWWRHEF-LLVKDONJSA-N 449.074 4.108 5 20 IIBD COC(=O)c1cc(NC(=O)c2occc2CN2c3ccccc3C[C@H]2C)c(C)c([N+](=O)[O-])c1 489752591 KNKIPQLTJKMJDV-CQSZACIVSA-N 449.463 4.486 5 20 IIBD CN(C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H](c1ccccc1)c1ncc[nH]1 493105838 RZQQSPJNLGGYAD-LJQANCHMSA-N 447.417 4.387 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N3CCC[C@H]3c3ncc[nH]3)c([N+](=O)[O-])c2)c(C)c1 498886980 AMQCBOLTKJVOBS-IBGZPJMESA-N 441.513 4.077 5 20 IIBD Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1 499982223 KWXJDYSJSOKBOS-FQEVSTJZSA-N 430.464 4.407 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCc2sccc2[C@H]1c1cccs1 500832883 YNFLOPPZFVNIGT-IBGZPJMESA-N 434.564 4.238 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 500979219 HPSRAEVATLVSJH-OAQYLSRUSA-N 435.484 4.062 5 20 IIBD CC(=O)Nc1c[nH]nc1[C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 501694397 FYSXGUHKTWVGTQ-INIZCTEOSA-N 425.514 4.384 5 20 IIBD Cc1cc(=N[C@@H](C)c2ccc(-n3c(C)cnc3O)cc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 502313169 WKVAHYMDQIJCAZ-INIZCTEOSA-N 430.468 4.155 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCOc1ccc(C(F)(F)F)cn1 503603516 UJTRKEHKZBGVFC-UHFFFAOYSA-N 429.420 4.320 5 20 IIBD CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)CNc1ccccc1[N+](=O)[O-] 503746636 JQBDSSZVDZNYMW-UHFFFAOYSA-N 429.864 4.147 5 20 IIBD CCN(CC(=O)Nc1cccc(OC)c1)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 505596925 OIZSTEWJWDRRNW-UHFFFAOYSA-N 426.498 4.188 5 20 IIBD CC1(C)CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@](C)(C(F)(F)F)O1 505742377 RHXQPJBOZKCBTO-QGZVFWFLSA-N 429.420 4.290 5 20 IIBD C[C@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Oc1ccccc1 506143055 FPWIGDLFTXBIOU-KRWDZBQOSA-N 433.464 4.384 5 20 IIBD COc1cc(CNc2cnn(-c3ccccc3F)c2C)c([N+](=O)[O-])cc1OCC(F)F 506250234 YIBSMBBWEXNFOD-UHFFFAOYSA-N 436.390 4.493 5 20 IIBD COCCOc1cccc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 507420546 BETALIBGEBAZNR-INIZCTEOSA-N 436.468 4.440 5 20 IIBD Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 507926851 YQUHHSCTMAYNPU-GFCCVEGCSA-N 438.435 4.250 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCOc1cccc(Br)c1 509432776 BGOAMNXKPCQUPG-UHFFFAOYSA-N 436.306 4.356 5 20 IIBD Cc1cc(OCC(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)ccc1[N+](=O)[O-] 510384900 PPAPWFFYYISEKZ-KRWDZBQOSA-N 433.464 4.412 5 20 IIBD CCC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1 511119883 IUSLZDLZDKEAGX-UHFFFAOYSA-N 432.285 4.359 5 20 IIBD C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 512166293 KHQCXOVHHXOMIM-AWEZNQCLSA-N 431.539 4.164 5 20 IIBD CC(C)n1c([C@H]2CCCN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)nc2ccccc21 512266376 SSXOLLHCEJFCAI-IBGZPJMESA-N 447.539 4.294 5 20 IIBD CC[C@@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccc(Cl)s1 515470334 RPYNNKIOAQTQQZ-LLVKDONJSA-N 446.710 4.278 5 20 IIBD Cc1ccc(C(=O)Nc2nc3ccc(NC(=O)c4n[nH]c(C)c4[N+](=O)[O-])cc3s2)s1 517851406 PBBMBNVNJIDNBV-UHFFFAOYSA-N 442.482 4.111 5 20 IIBD CC(C)Sc1ccc([C@@H](C)NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 519060549 WGWINDNTFZYMDB-MRXNPFEDSA-N 429.546 4.083 5 20 IIBD CC(C)[C@@H](C)N(C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C1CC1 519901195 XKEFLJUJMKAVBK-OAHLLOKOSA-N 431.514 4.045 5 20 IIBD C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 522052388 UTVUBFHYCAAQBZ-OAHLLOKOSA-N 436.434 4.076 5 20 IIBD COc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1NC(=O)C1CCCCC1 522524274 GHVRZHIKLLELFF-UHFFFAOYSA-N 427.457 4.140 5 20 IIBD O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 522577482 ONIZGBGVLAWQFF-HNNXBMFYSA-N 441.875 4.116 5 20 IIBD Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 523125043 ZVONTTQRFBLRLF-UHFFFAOYSA-N 440.456 4.397 5 20 IIBD CCOc1ccc(Br)cc1N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 524405973 YAMIDVQIIICXHM-LLVKDONJSA-N 438.278 4.204 5 20 IIBD COc1ccc(OC)c(-c2csc(NC(=O)c3cc(OC)c(OC)c([N+](=O)[O-])c3)n2)c1 525005560 KZCGNISIRWHIMB-UHFFFAOYSA-N 445.453 4.005 5 20 IIBD CCOc1cc(C(=O)Nc2cccc(CC(=O)OC(C)(C)C)c2)c([N+](=O)[O-])cc1OC 525214459 XJXMGRNENUTOFU-UHFFFAOYSA-N 430.457 4.139 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N[C@@H](c1ccc(F)cc1)c1cccs1 525802477 PGLIQXRMTVEXSO-NRFANRHFSA-N 428.441 4.015 5 20 IIBD CC(C)n1c([C@@H]2CCCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C2)nc2ccccc21 530673746 XTKAFLLANJYRRA-MRXNPFEDSA-N 428.514 4.094 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2C(=O)N(C)C2CCCC2)c1 531877997 XRYVILLBLISVPP-UHFFFAOYSA-N 431.514 4.027 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1c(C)cc(C)cc1C 536500559 AEWYWRUVNJMBCE-UHFFFAOYSA-N 430.526 4.148 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCc3ccnc(OCCN(C)C)c3)c([N+](=O)[O-])c2)cc1 536504362 VXMKRHDXGNBGKR-UHFFFAOYSA-N 449.511 4.103 5 20 IIBD CC1CCN(S(=O)(=O)Cc2ccccc2CN[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 536847783 UVWQEPOLYYKRTB-GOSISDBHSA-N 431.558 4.007 5 20 IIBD Cc1c(Br)cc(C(=O)N[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] 537246189 CIOGKDVQKMRCSL-RDJZCZTQSA-N 441.228 4.204 5 20 IIBD COC(=O)[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccc(OC(F)F)cc1 539347294 PKHHTEPGGYPSBP-MRXNPFEDSA-N 436.392 4.055 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(N)=O)c(N2CCCCC2)c1 540452449 MVYGNHXQOQPKLA-UHFFFAOYSA-N 442.541 4.437 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCc3sccc3[C@@H]2c2cccs2)cc1 541283278 ZDLFBHMSWPDZIR-LJQANCHMSA-N 434.564 4.139 5 20 IIBD COc1ccc(NC(=O)CSc2nncn2-c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] 542074596 ZDHGSWRGGLBAEJ-UHFFFAOYSA-N 427.486 4.038 5 20 IIBD COc1cc(-c2nc(Cc3ccc(F)c(Br)c3)no2)cc([N+](=O)[O-])c1OC 547064286 GHINKRNCVKQNBW-UHFFFAOYSA-N 438.209 4.154 5 20 IIBD CCOC(=O)c1c(Cn2ccc(=O)c([N+](=O)[O-])c2)nc2ccccc2c1-c1ccccc1 551452411 OZECNKLRPLYPGX-UHFFFAOYSA-N 429.432 4.197 5 20 IIBD CC(C)(NC(=O)Cc1csc(NC(=O)c2ccccc2F)n1)c1ccccc1[N+](=O)[O-] 553713433 COHLELSVMWUDDI-UHFFFAOYSA-N 442.472 4.037 5 20 IIBD O=C(c1ccccc1[N+](=O)[O-])N1CCN(Cc2csc(-c3ccc(Cl)cc3)n2)CC1 555741985 HJWIGTSZJNEQOK-UHFFFAOYSA-N 442.928 4.330 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN(c3cccc(Br)c3)CC2)c1 556487581 CJEHDYMPUYAOLP-UHFFFAOYSA-N 436.331 4.042 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])Cc1ncc(Br)cc1Br 558413331 JAPUXAVDKKXVSB-UHFFFAOYSA-N 429.112 4.189 5 20 IIBD O=C(Nc1ccc2nccnc2c1Br)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 577141792 NTLUQTTUKRHVRI-UHFFFAOYSA-N 442.273 4.153 5 20 IIBD Cn1c(CC(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])nnc1-c1ccccc1 578290269 IEKUPBZGUORISG-UHFFFAOYSA-N 443.463 4.151 5 20 IIBD O=C(c1cc2c(s1)-c1ccccc1CC2)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 578910666 WDAMUWMLVOGFGY-UHFFFAOYSA-N 447.516 4.020 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2C)cc1C 581266769 BUBBNEASITXVMM-QGZVFWFLSA-N 445.541 4.335 5 20 IIBD C[C@H](N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1noc(-c2ccc(Cl)cc2)n1 583532956 YIUBATOWEUCBPO-OLZOCXBDSA-N 429.864 4.366 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3C[C@@]4(CCCO4)[C@@H]3C3CC3)cc2[N+](=O)[O-])n1 590531970 MDNOFCJUBROCEC-PXNSSMCTSA-N 431.539 4.295 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)Cc1ccc(C(C)C)cc1 603470818 SHGJUJJWLRXDRM-OAQYLSRUSA-N 443.569 4.228 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](c1ccc(Cl)cc1)c1cccs1 604037623 YDZMTNITXLLIJQ-GOSISDBHSA-N 438.914 4.386 5 20 IIBD Cc1nc(-c2cccc(NC(=O)c3ccc(N4C[C@@H](C)C[C@@H](C)C4)c([N+](=O)[O-])c3)c2)n[nH]1 604184620 CXBSWOLMTZCMJR-GASCZTMLSA-N 434.500 4.423 5 20 IIBD Cc1ccc2c(c1)N(C(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)CC2 604505334 IKBKIKHUQVDVSL-UHFFFAOYSA-N 429.476 4.403 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCCN3C(=O)Cc4ccccc43)c([N+](=O)[O-])c2)cc1 608973534 KLYOXPUMPVVWKQ-UHFFFAOYSA-N 430.464 4.157 5 20 IIBD Cc1c(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cnn1-c1cccc(Br)c1 609262199 SRTVHTXMAHEPNK-LBPRGKRZSA-N 429.274 4.342 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O 609616270 YWLQPTJSEXEXTJ-OAHLLOKOSA-N 442.781 4.194 5 20 IIBD O=C(NCc1nc(-c2cccc(Cl)c2)no1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 609663811 KFBIUMJZYOMVHH-UHFFFAOYSA-N 441.856 4.352 5 20 IIBD Cc1cc(S(=O)(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)ccc1[N+](=O)[O-] 609673578 MFPDNQAXWJHXRV-INIZCTEOSA-N 439.493 4.195 5 20 IIBD CCO[C@@H](C)c1nc(CC(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)cs1 609754342 NEUXONBJHJNWAO-LBPRGKRZSA-N 431.436 4.282 5 20 IIBD O=C(CCn1ncc(=O)c2ccccc21)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609755478 MWSZHBBQEDELQR-UHFFFAOYSA-N 430.420 4.126 5 20 IIBD CCN(C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)c1ccccc1C(=O)OC 609831550 DGEQZTLSDFGMGM-UHFFFAOYSA-N 425.485 4.284 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1Oc1ccc(-n2cccn2)cc1 609965283 VUCTWFKYKMEALC-UHFFFAOYSA-N 442.497 4.138 5 20 IIBD O=C(NC[C@H]1Cc2ccccc21)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 610937142 XFMMRHDEZISXEZ-CQSZACIVSA-N 439.518 4.202 5 20 IIBD O=C(c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)N1CCc2c[nH]nc2C1 611011665 DTPAZOZWSUAGOF-UHFFFAOYSA-N 437.506 4.277 5 20 IIBD CS(=O)(=O)Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cc1 611201383 YCBOAEYLGSIKNR-UHFFFAOYSA-N 448.566 4.104 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@@H](CO)[C@H](C)c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 611304100 VXQOQZKXSZKWEA-JLHGSKIFSA-N 434.496 4.057 5 20 IIBD CCOC(=O)C[C@H](c1ccccc1)C1CCN(c2ncnc3cccc([N+](=O)[O-])c23)CC1 612438664 ZAORIQRNSBQKFH-LJQANCHMSA-N 434.496 4.491 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(OCc2ccccc2C)c1 619467707 XQCRPJXZTDDJEI-UHFFFAOYSA-N 428.466 4.292 5 20 IIBD CCN([C@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1OC 619488885 LJAWOYACLQAWQH-OAQYLSRUSA-N 441.509 4.107 5 20 IIBD COc1ccc(NC(=O)[C@@H](OC(=O)c2ccc([N+](=O)[O-])c(OC)c2)c2ccccc2)cc1 725947754 MFGAFZWVGJEVNC-NRFANRHFSA-N 436.420 4.149 5 20 IIBD O=C(CCc1ccccc1OC(F)(F)F)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 727553351 FRTGPCSUCPMKFO-UHFFFAOYSA-N 437.330 4.219 5 20 IIBD CC(C)(C)OC(=O)NCc1cccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 727867906 PBABNVLYIGUIKN-UHFFFAOYSA-N 440.500 4.472 5 20 IIBD O=C(OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 730615234 WJCPDTVJUXXIIX-HZPDHXFCSA-N 435.263 4.138 5 20 IIBD Cc1ccc(-n2nc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])c3c2CCCC3)cc1 731085343 HMICQPZYVQUUAW-INIZCTEOSA-N 448.479 4.152 5 20 IIBD CSc1nc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)cc2s1 731957202 VIRZYOICKSIMCL-LBPRGKRZSA-N 448.551 4.231 5 20 IIBD Cc1nn(Cc2ccc(C(=O)OCC(=O)c3ccc(F)c(Cl)c3)cc2)c(C)c1[N+](=O)[O-] 736764263 LUBYTLOFZHRTPY-UHFFFAOYSA-N 445.834 4.289 5 20 IIBD COc1ccc(CN(C)C(=O)[C@H](OC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C(C)C)cc1 736867572 WXWWEAQCILRJOG-LJQANCHMSA-N 434.876 4.097 5 20 IIBD CC[C@@H](NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])c1ccc(F)cc1F 738401277 LYWGBLXGPYCNIF-CYBMUJFWSA-N 435.246 4.065 5 20 IIBD CC(C)[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)N1C[C@H](C)C[C@@H](C)C1 740423612 TUQGDNTWLBXEQM-PBFPGSCMSA-N 441.322 4.043 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2ccccc2SCC=C(C)C)c([N+](=O)[O-])c1 741371974 UJTPDXYJKFPPTI-UHFFFAOYSA-N 430.482 4.457 5 20 IIBD COc1ccc([C@H]2[C@H](C(=O)Nc3cc([N+](=O)[O-])c(Cl)cc3C)CCC(=O)N2C)cc1 741933873 BIIVJLXWZMGGQO-QRWLVFNGSA-N 431.876 4.113 5 20 IIBD C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 742315237 FSTCFWWLDLJWJT-CJNGLKHVSA-N 439.331 4.172 5 20 IIBD O=C(NS(=O)(=O)c1cc(Cl)sc1Cl)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 744016658 QMACHXAEWTZSEW-UHFFFAOYSA-N 449.215 4.101 5 20 IIBD CC(C)(C)OC(=O)N1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])c2ccccc21 746470482 GROGNFYNQZGNNN-UHFFFAOYSA-N 426.473 4.185 5 20 IIBD CN(CC1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1)C(=O)OC(C)(C)C 746839754 AHDQDIUKFNVNTO-UHFFFAOYSA-N 445.438 4.333 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2cccc3c[nH]nc23)c2ccccc2)c([N+](=O)[O-])c1 746951126 JWUHMQNTERPKIC-OAQYLSRUSA-N 430.420 4.316 5 20 IIBD COC[C@H](C)n1c(C)cc(C(=O)COC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1C 747123428 HVCBJFFDTYCOKB-LBPRGKRZSA-N 442.390 4.279 5 20 IIBD Cc1cc(Br)ccc1COC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 748495440 NGUDHWUAPUUIPZ-UHFFFAOYSA-N 449.257 4.097 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)c(Cl)c1 748693204 OEHXEYFHVYCCHW-UHFFFAOYSA-N 448.353 4.256 5 20 IIBD C[C@H](OC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 748910462 MWIMHXFURXFFMG-MZPVMMEZSA-N 433.258 4.031 5 20 IIBD Cc1c(C(=O)OCc2ccc(OCc3ccccn3)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748944220 LZONSQKNATYMBG-UHFFFAOYSA-N 437.408 4.451 5 20 IIBD Cc1cc(N2CCC(OCCCNC(=O)OC(C)(C)C)CC2)c(Cl)cc1[N+](=O)[O-] 749101404 BDTHVNKXPLXWNO-UHFFFAOYSA-N 427.929 4.457 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl 751218582 HYYVCFCRVXLCFR-UHFFFAOYSA-N 439.921 4.194 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C2(NC(=O)OC(C)(C)C)Cc3ccccc3C2)cc1[N+](=O)[O-] 752417451 YWIDYWMGOCZDLF-INIZCTEOSA-N 439.512 4.143 5 20 IIBD CCc1ccc([C@@H](NC[C@@H](O)c2cc(OC)ccc2OC)c2ccc([N+](=O)[O-])cc2)o1 753610276 AYPOCMBZVWOHRF-OFNKIYASSA-N 426.469 4.180 5 20 IIBD CN(CCc1nccs1)C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 753755145 YXPFFSZOKPKCSI-UHFFFAOYSA-N 444.900 4.272 5 20 IIBD Cc1ccc(OC(=O)[C@@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)cc1[N+](=O)[O-] 755249181 JYRCYWXHFJOQIB-GFCCVEGCSA-N 433.511 4.458 5 20 IIBD CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 755514181 FCHZPEIVIAEIIL-AWEZNQCLSA-N 433.892 4.034 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)OCc1nnc(-c2ccc(Br)cc2)o1 756528954 QPUPPAREDMCSKP-UHFFFAOYSA-N 432.230 4.083 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 758403318 MUQVWSAFEHYYCX-SJLPKXTDSA-N 429.521 4.041 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 758738794 SGVOKXDTYVACMP-LBPRGKRZSA-N 445.859 4.159 5 20 IIBD COc1ccc(C[C@@H](C)C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)cc1 759762037 NXORENKJAKGPPS-MRXNPFEDSA-N 438.484 4.269 5 20 IIBD CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)OC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 762900560 UTJHXHUUNSOAER-GFCCVEGCSA-N 435.392 4.209 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCC2(CCN(Cc3ccccc3)C2)CC1 763027448 CILPMFGTMORHQU-UHFFFAOYSA-N 442.947 4.446 5 20 IIBD C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 764295836 XBLXOFKWJAFNNL-CYBMUJFWSA-N 432.933 4.337 5 20 IIBD CC[C@H](C)CS(=O)(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 767236758 LEJTTZUNMPHXTG-LBPRGKRZSA-N 426.878 4.255 5 20 IIBD COC(=O)[C@]1(F)CCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 768217267 LLWTZQAKDQYKRC-IBGZPJMESA-N 438.864 4.127 5 20 IIBD COc1ccc(-c2ccc(CN3CC[C@H](CNC(=O)OC(C)(C)C)C3)o2)c([N+](=O)[O-])c1 769196821 ZVINOICMNZTQRO-OAHLLOKOSA-N 431.489 4.210 5 20 IIBD CCOc1ccccc1Oc1ccc(CNC(=O)c2cc(F)c([N+](=O)[O-])cc2F)cn1 769490457 JWVDZJRTZBOIEV-UHFFFAOYSA-N 429.379 4.389 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3csc(-c4cccc([N+](=O)[O-])c4)n3)n2)c1 771392184 VILFHNGGNCUORX-UHFFFAOYSA-N 439.409 4.276 5 20 IIBD Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1sc(Br)cc1[N+](=O)[O-] 773600481 VASFHYWDSXWFPR-GHMZBOCLSA-N 441.303 4.150 5 20 IIBD O=C1/C(=C/c2ccc([N+](=O)[O-])c(Cl)c2)NC(=S)N1c1ccc(OC(F)(F)F)cc1 774118549 KBHNNOPHVZKNMV-JYRVWZFOSA-N 443.790 4.409 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 775088952 XCAIVJDODQVIMR-GFCCVEGCSA-N 432.454 4.008 5 20 IIBD O=C(CCc1cnn(-c2ccccc2)c1)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776132536 FUNTUGCOZZIRII-DEOSSOPVSA-N 428.448 4.441 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nn1-c1cccc(Cl)c1 777155503 WNNBCHZBBZNRQG-UHFFFAOYSA-N 449.250 4.191 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)C[C@@H](C)C(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 777216293 RYXYLJXWNPHOMH-OLZOCXBDSA-N 448.859 4.036 5 20 IIBD O=[N+]([O-])c1ccccc1Cc1noc(C[C@H](O)c2ccc(OCc3ccccc3)cc2)n1 777709986 QDCGYQMKVUGAHI-QFIPXVFZSA-N 431.448 4.424 5 20 IIBD O=C(O[C@H](C(=O)N1CCCCC1)c1ccccc1)c1cc([N+](=O)[O-])ccc1OC(F)F 778891041 OGGRUDBESWEPFL-SFHVURJKSA-N 434.395 4.107 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@@H](c1ccc(Cl)cc1F)C(C)C 782091235 OUIKCAQHUOHXEA-HXUWFJFHSA-N 438.839 4.101 5 20 IIBD CCOC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc([N+](=O)[O-])c1Br 782125685 YWTUVGVLPVVZNT-UHFFFAOYSA-N 433.258 4.127 5 20 IIBD CCOc1cc(N2CCC(OC(=O)C[C@H]3C[C@@H](C(C)=O)C3(C)C)CC2)ccc1[N+](=O)[O-] 783101803 USVNRHLTBBNKOP-APWZRJJASA-N 432.517 4.147 5 20 IIBD C[C@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 784810384 CZCNAHZMPBZLLU-LURJTMIESA-N 431.364 4.240 5 20 IIBD CC(C)[C@@H](OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1Cl 785678896 RAZPGQFFPFQRIX-LJQANCHMSA-N 442.859 4.254 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(N[C@H]3CCN(c4cccc(Br)c4)C3)CC2)cc1 786953168 HTLYIVHCZDKUJV-SFHVURJKSA-N 445.361 4.195 5 20 IIBD O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccn3)n2-c2ccccc2)c([N+](=O)[O-])c1 789948712 YRQHMBBKRPITHO-UHFFFAOYSA-N 434.437 4.438 5 20 IIBD CN(C)[C@H](CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 790569401 WWKCTDXCSSSOGE-QGZVFWFLSA-N 447.816 4.368 5 20 IIBD CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@@H](c1cccc(F)c1)c1cnn(C)c1 790897621 OMTKUFDPMLARTC-FQEVSTJZSA-N 434.830 4.050 5 20 IIBD C[C@H](OC(=O)c1cc(F)cc(Cl)c1N)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 791477963 DLYDJFJEPRUNIT-ZETCQYMHSA-N 449.744 4.172 5 20 IIBD CC1CCC(OCC(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 795949099 CSHMCZYEPKQGNP-MBHSVXNSSA-N 432.395 4.079 5 20 IIBD C[C@@H]1C(=O)CC[C@H]1CC(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 796232303 GJYKECHCWUBUNX-YHQOMNDMSA-N 444.871 4.477 5 20 IIBD O=[N+]([O-])c1nn(CN2CCC[C@H]2c2ccc(Br)c(F)c2)cc1Br 797413086 HVGSGQNJFFLTQO-ZDUSSCGKSA-N 448.090 4.250 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)OCc2ccc(Cl)cc2Cl)cc1OC 797637725 JDCIRFQPIGYNHB-UHFFFAOYSA-N 430.240 4.292 5 20 IIBD CC1(c2ccc(Br)cc2)CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 801982945 ARBGKICMPNPMPP-UHFFFAOYSA-N 436.281 4.273 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)O[C@H](C)c1ccc(S[C@@H]2CCCCNC2=O)cc1 809045969 JSUMDKLNHNSSQV-JLTOFOAXSA-N 444.509 4.282 5 20 IIBD C[C@@H]1[C@@H](c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)CCN1C(=O)OC(C)(C)C 809434008 RADFQRNVJUKTAY-DOMZBBRYSA-N 427.461 4.163 5 20 IIBD O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)Nc1cccc([N+](=O)[O-])c1Cl 809916409 JCMHKBFVAOLGJA-UHFFFAOYSA-N 433.877 4.339 5 20 IIBD C[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N2CCCCC2=O)cc1 810132233 JYWMURVTCMOWKG-CQSZACIVSA-N 430.892 4.054 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1 810399893 ZERBYFOTXJIULD-UHFFFAOYSA-N 432.427 4.003 5 20 IIBD O=C(NC[C@@H](O)c1ccc(OC(F)(F)F)cc1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813481863 GVEUNMFZKSSIGS-CYBMUJFWSA-N 439.173 4.264 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1nc(N2CCCC2)ncc1Cl 815193309 QHDFECUFMGRAET-UHFFFAOYSA-N 430.770 4.014 5 20 IIBD Cc1cnc(COC(=O)C2CCN(c3noc4ccc(Cl)cc34)CC2)c(C)c1[N+](=O)[O-] 816040315 ZZPCSYRXKSTFMA-UHFFFAOYSA-N 444.875 4.361 5 20 IIBD C[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(C(F)(F)F)nc1Cl 816762326 WODQDQAUOAKIOT-JTQLQIEISA-N 439.781 4.339 5 20 IIBD Cc1sc(=O)n(CC(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c1-c1ccc(F)cc1 915638994 ZPQZEPNVRQBQTB-UHFFFAOYSA-N 449.891 4.245 5 20 IIBD O=C1CCCCN1Cc1ccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)cc1 915864911 IKKCIODCKNLNCX-UHFFFAOYSA-N 449.429 4.312 5 20 IIBD O=C(O[C@H](C(=O)NCc1ccccc1)c1ccccc1)c1cc2cc([N+](=O)[O-])ccc2[nH]1 917329337 GVAOIBOYKUHBKU-QFIPXVFZSA-N 429.432 4.291 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2SC[C@@H]2CC2(Cl)Cl)ccc1O 917756230 IUUSIEFDGNZTRZ-JTQLQIEISA-N 449.337 4.387 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccc(N(C)Cc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 918447662 DHTDWWHXPLJNMD-QGZVFWFLSA-N 432.480 4.047 5 20 IIBD Cc1ccc(CN(C(C)C)S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)s1 920046463 IFJDEZGCCBLWMD-UHFFFAOYSA-N 433.349 4.327 5 20 IIBD O=C(Nc1cccc(-n2ccnc2O)c1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 920082786 ZRPSTVNRWDDZHU-UHFFFAOYSA-N 429.436 4.351 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)/C=C\c3ccsc3)cc2)cc1[N+](=O)[O-] 920222211 SVNBEKNVMZCCKJ-OQFOIZHKSA-N 443.506 4.417 5 20 IIBD CN(c1ccc(NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)cc1F)C1CCCCC1 920281691 DKYBPKZMWGATTO-UHFFFAOYSA-N 449.504 4.159 5 20 IIBD CSc1ccccc1NC(=O)[C@H](C)OC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 920778523 SRDXCLLHDYQRSI-RYUDHWBXSA-N 438.889 4.308 5 20 IIBD CC(C)c1nc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2s1 921157569 YDQZOSWQBZWVOK-UHFFFAOYSA-N 426.498 4.417 5 20 IIBD O=C(CNS(=O)(=O)/C=C\c1ccccc1)OCc1nc2ccccc2c2ccccc12 921249141 UTTXFYFVHZNBDX-PFONDFGASA-N 432.501 4.022 5 20 IIBD CCOC(=O)C1=C(C)Nc2ccccc2N=C1NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 924477706 QMJCCTWXLABYOY-UHFFFAOYSA-N 440.481 4.039 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(O)(Cc3ccccc3F)CC2)nc1OCc1ccccc1 1320883800 SMUMKSYXUHLIRP-UHFFFAOYSA-N 437.471 4.282 5 20 IIBD Cc1nc2c3ccccc3nn2c(C)c1CCc1nnc(COc2ccccc2[N+](=O)[O-])o1 1323962091 GXNDBLMJZUXSRI-UHFFFAOYSA-N 444.451 4.155 5 20 IIBD O=C(NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 1327885559 DICKBHKWHBVSBD-YQQQUEKLSA-N 446.507 4.164 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)C3(C(F)(F)F)CC3)CCC2)cc1)c1ccc([N+](=O)[O-])o1 1785750829 VFSUCQZGMNIJHV-UHFFFAOYSA-N 437.374 4.278 5 20 IIBD COC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3c(F)ccc([N+](=O)[O-])c3C)cc2)CCC1 1790775080 URQTYQUHHGGNRJ-UHFFFAOYSA-N 443.475 4.215 5 20 IIBD CCOCCC(=O)Nc1ccc(C2(NC(=O)c3c(F)ccc([N+](=O)[O-])c3C)CCC2)cc1 1791963857 XGRWSVABWJLILO-UHFFFAOYSA-N 443.475 4.217 5 20 IIBD Cc1ccc(C)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2ccc(C)c([N+](=O)[O-])c2)C3)c1 1803546764 DGXGJGLEBWOUJY-WKCHPHFGSA-N 435.524 4.015 5 20 IIBD CC1(C(=O)N2CCC3(CCCN(C(=O)Cc4ccc(Cl)cc4[N+](=O)[O-])C3)CC2)CCC1 1805482234 YNZIJDYWGPFCRN-UHFFFAOYSA-N 447.963 4.212 5 20 IIBD C/C=C(\C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3C)sc2C1 1823706386 NRWXCLGFINPKLF-MQSIBISMSA-N 448.932 4.205 5 20 IIBD O=C(c1cccc(F)c1[N+](=O)[O-])N1CCC([C@H]2CCCCN2C(=O)c2cccs2)CC1 1825778858 GVIUXTKSEVDXQF-GOSISDBHSA-N 445.516 4.343 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(C)CCC2)CC1 1830787972 WTBCPRQOVAMPKZ-IBGZPJMESA-N 443.544 4.032 5 20 IIBD CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 9487745 PNPLPGYLOGAMGS-ZIAGYGMSSA-N 430.457 4.310 5 20 IIBD CCOC(=O)[C@@H]1CCCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 16483008 FNGMWVYMWCVTDX-OXQOHEQNSA-N 445.903 4.203 5 20 IIBD COc1ccc(NC(=O)C2=C(C)N(C)C(=S)N[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 21187178 JIWQFMQJHYSGGT-GOSISDBHSA-N 446.916 4.031 5 20 IIBD COc1cc(COC(=O)c2ccc(-n3nccc3C)cc2)c([N+](=O)[O-])cc1OC(F)F 25058250 KHXCHYKCHBYPQT-UHFFFAOYSA-N 433.367 4.056 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc2ccccc2c1=O 28606572 DCCPWCXLSSMSBW-NSHDSACASA-N 432.889 4.097 5 20 IIBD CCOC(=O)c1cc(C(=O)N[C@H](c2ccccc2)c2ccc(OC)cc2)cc([N+](=O)[O-])c1 39515130 ZZSBGYNCYOTCTC-JOCHJYFZSA-N 434.448 4.300 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCc3cc(-c4ccccc4)no3)cc2)c(C)c1[N+](=O)[O-] 58476722 AVEDIXKIVQXNBZ-UHFFFAOYSA-N 431.452 4.041 5 20 IIBD CCOc1cc(C(=O)Nc2c(C)cnn2Cc2cc(F)ccc2F)c([N+](=O)[O-])cc1OC 63830253 FIIZXWNNXLRKJO-UHFFFAOYSA-N 446.410 4.086 5 20 IIBD Cc1cccn2cc(COc3ccc(C(=O)NCCc4ccc([N+](=O)[O-])cc4)cc3)nc12 65124010 OUEJHWUSHMNDDK-UHFFFAOYSA-N 430.464 4.102 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N(Cc1cccs1)C[C@@H]1CCCO1 104928735 PMZMYMJCOYAPIO-SFHVURJKSA-N 429.542 4.081 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)cc([N+](=O)[O-])c1 107653269 UNFKCWROLKOODZ-UHFFFAOYSA-N 437.427 4.321 5 20 IIBD CC(C)(C)c1cnc(CNc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])o1 301464814 GVVZXRRQQZVKMK-UHFFFAOYSA-N 436.534 4.057 5 20 IIBD CC(=O)Nc1ccc(Br)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 303093042 DRIRWBJNSVOZFR-UHFFFAOYSA-N 447.289 4.168 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cc1SC 303770116 QNFXYDCFFKOJLU-WMZOPIPTSA-N 443.569 4.450 5 20 IIBD COc1cccc(C2(F)CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)CC2)c1 410230152 VELLTRMMIVAPAU-UHFFFAOYSA-N 437.265 4.467 5 20 IIBD Cc1cc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc(C)c1Br 426192136 OVUPPFBTVDOVJS-UHFFFAOYSA-N 448.317 4.350 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1ccccc1-c1c(F)cccc1F 426661008 RRRROSJIFDLEFO-UHFFFAOYSA-N 425.391 4.137 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)cc1SC 431167770 OXAAHZYARSIIEU-SMDDNHRTSA-N 437.315 4.374 5 20 IIBD COCCCOc1cccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 432210086 JLFRIJVIBNFRHP-UHFFFAOYSA-N 435.285 4.118 5 20 IIBD Cc1c(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cccc1S(=O)(=O)NC(C)(C)C 432958794 IFERPERHELQCCX-UHFFFAOYSA-N 448.545 4.037 5 20 IIBD O=[N+]([O-])c1cccc(-c2cc(NS(=O)(=O)c3c(Cl)cc(F)cc3Cl)n[nH]2)c1 435501162 KDULIYCYPRNZBB-UHFFFAOYSA-N 431.232 4.232 5 20 IIBD CCCNC(=O)c1cccc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1 436100610 NKNDMWUCPVOWKH-UHFFFAOYSA-N 435.430 4.352 5 20 IIBD C[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1cccc(N2CCCC2=O)c1 436304188 CXRFEKXEJVRAPG-MRXNPFEDSA-N 425.488 4.299 5 20 IIBD C[C@@H](OC[C@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Cl)cc1 438817033 DUGSXKXERHECQF-OXQOHEQNSA-N 434.920 4.230 5 20 IIBD Cc1ccc(NC(=O)NC2(c3noc([C@H]4CCOC4)n3)CCCCCC2)cc1[N+](=O)[O-] 439301717 HEHKJBPDWNNHCV-HNNXBMFYSA-N 429.477 4.161 5 20 IIBD NC(=O)c1ccc(SCC(=O)N2CCCCC[C@H]2/C=C\c2ccccc2)c([N+](=O)[O-])c1 440878729 HYPHCCURPMAAFX-XASXRRJKSA-N 439.537 4.270 5 20 IIBD COc1cccc([C@@H]2[C@@H](c3nc(Cc4cccc([N+](=O)[O-])c4C)no3)CC(=O)N2C2CC2)c1 445230443 IWTMDOSJBPRCPD-WMZHIEFXSA-N 448.479 4.105 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3CC(=O)N(c4cccc5ccccc45)C3)n2)c1 445579590 OXOOIYGLRPOVDM-QGZVFWFLSA-N 444.447 4.251 5 20 IIBD CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCCN(c2ccccc2)C1 445805013 FKXFEOQGFCOCRO-SFHVURJKSA-N 432.318 4.027 5 20 IIBD COc1nc(C)c(Br)cc1-c1noc(/C=C\c2ccc(F)cc2[N+](=O)[O-])n1 446000171 BURZFLRQNTZLHI-XQRVVYSFSA-N 435.209 4.429 5 20 IIBD COc1ccccc1NC(=O)c1ccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 446953097 XOQUELUESJSNIV-UHFFFAOYSA-N 446.463 4.446 5 20 IIBD CC(C)(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 460469697 UQJFIWFZWFCKOQ-UHFFFAOYSA-N 442.491 4.214 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 462692936 PMIXYAAZURVUKS-CJNGLKHVSA-N 431.297 4.100 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccnn2[C@@H]2CCCc3ccccc32)c2ncccc12 463516287 MFECFCVPYRDSGR-GOSISDBHSA-N 449.492 4.066 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3nc4cc(Cl)ccn4n3)cc2[N+](=O)[O-])n1 464651079 BOUPOJZKKWMZFY-UHFFFAOYSA-N 446.901 4.459 5 20 IIBD CCC(CC)(CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 464679290 INGMJXLGRRTJTG-QGZVFWFLSA-N 429.542 4.135 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@H](c1c(Cl)cccc1Cl)C1CC1 464714395 UHSUVYHCXACXFA-SFHVURJKSA-N 436.251 4.077 5 20 IIBD COc1ccc(OC(F)F)c(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c1 465156072 KRHUSTVSQQIKJV-UHFFFAOYSA-N 433.314 4.128 5 20 IIBD O=C(NCc1cc(Cl)ccc1OC(F)F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 465282434 AAWYKJYJZUFJCF-UHFFFAOYSA-N 425.819 4.380 5 20 IIBD CC(C)CCSc1ccc(C(=O)Nc2ccc(NC(=O)CN(C)C)cc2)cc1[N+](=O)[O-] 465353877 GLZLRQDZUILAJM-UHFFFAOYSA-N 444.557 4.485 5 20 IIBD NC(=O)c1ccccc1Oc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 467304939 ARUHETUKYPFNEB-UHFFFAOYSA-N 446.463 4.339 5 20 IIBD Cc1ccc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(O[C@@H]2CCOC2)c1 468400341 WQEIBBYXFABTAT-OAQYLSRUSA-N 427.501 4.191 5 20 IIBD COC[C@@H](C)Oc1ccc(Cl)cc1N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 468821314 DHLYNJQYSMUSQN-CHWSQXEVSA-N 437.880 4.110 5 20 IIBD Cc1c(CC(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)cccc1[N+](=O)[O-] 468840406 DWCKTTAESQORJQ-UHFFFAOYSA-N 446.301 4.083 5 20 IIBD O=C(CCc1nc(-c2cc(Br)cs2)no1)Nc1cc(F)cc([N+](=O)[O-])c1 470707189 KPHJRSGBCDYTBV-UHFFFAOYSA-N 441.238 4.179 5 20 IIBD Cc1ccc(-c2noc(CN3CCN(C(=O)c4ccc(C(C)C)c([N+](=O)[O-])c4)CC3)n2)cc1 473662874 WQWDVHDLDVOCKE-UHFFFAOYSA-N 449.511 4.035 5 20 IIBD COC(=O)COc1ccc(CNc2ccc(-c3cn4cccc(C)c4n3)cc2)cc1[N+](=O)[O-] 474358921 UKVZJTPDQVMDII-UHFFFAOYSA-N 446.463 4.382 5 20 IIBD COC(=O)[C@@H]1CCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C[C@@H]1C 476759819 WZBWMBFBOAZIQD-MAUKXSAKSA-N 428.510 4.326 5 20 IIBD O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(c3nccc(C(F)F)n3)CC2)s1 479373500 UVVJYKBVGIWLSY-UHFFFAOYSA-N 431.468 4.373 5 20 IIBD CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C(N)=O)c1cccc(Br)c1 479483057 VVGZGZCDDFFGCZ-WMLDXEAASA-N 438.347 4.044 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C 480566850 KHJRQAZSQUFKQJ-AWEZNQCLSA-N 434.514 4.150 5 20 IIBD COc1ccc(NC(=O)Nc2cc(C)n(CCCOc3ccc(F)cc3)n2)cc1[N+](=O)[O-] 481292876 YOWQKBCFFOEVTH-UHFFFAOYSA-N 443.435 4.361 5 20 IIBD O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 482336740 PGUNRRNFYPPSAY-VOIUYBSRSA-N 443.463 4.320 5 20 IIBD Cn1cc(C(=O)N2CCOc3cc(Cl)c(Cl)cc32)c(-c2ccc([N+](=O)[O-])cc2)n1 484653765 PBXGGUPAMLXFOB-UHFFFAOYSA-N 433.251 4.341 5 20 IIBD Cc1cc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n(Cc2ccccc2)n1 485570164 AQBUJIRHVYYRRQ-UHFFFAOYSA-N 433.390 4.489 5 20 IIBD CCN(CC)CCn1c(NC(=O)c2cccc(SC)c2[N+](=O)[O-])nc2ccccc21 485727813 BYTACWBTHHZGRN-UHFFFAOYSA-N 427.530 4.261 5 20 IIBD O=C(N[C@H]1CCCN(c2ccccc2Cl)C1)c1sc(Br)cc1[N+](=O)[O-] 485913794 OHIIAEVPGRQYBB-JTQLQIEISA-N 444.738 4.471 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@@H](c2ccccc2)c2nccs2)c(C)c([N+](=O)[O-])c1 486872709 JPHSSXJWYKTKAS-KRWDZBQOSA-N 426.454 4.057 5 20 IIBD CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)CC2 489523306 YMVYGORTEDNOFY-SFTDATJTSA-N 442.537 4.138 5 20 IIBD COc1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)c([N+](=O)[O-])cc1OC 490174165 LAXQJKSUMFHBRD-UHFFFAOYSA-N 425.397 4.018 5 20 IIBD O=C(N[C@H]1CCOC2(CCOCC2)C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 491008742 WRCFQAMKDBCCBS-KRWDZBQOSA-N 428.510 4.204 5 20 IIBD COc1ccc2ccccc2c1CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 492604444 WVISVHUGOYTAKL-UHFFFAOYSA-N 441.509 4.153 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N(C)[C@H]2CCN(c3ccccc3Cl)C2=O)cc1[N+](=O)[O-] 493266051 ZCKOPBOWDMXSSN-KSSFIOAISA-N 430.892 4.065 5 20 IIBD COc1ccc(Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])cc1NC(=O)C1CCCCC1 497530967 CCEBGGGLVFBUDM-UHFFFAOYSA-N 447.513 4.269 5 20 IIBD COc1cc(C(=O)N2CCC(c3ccc(Br)cc3)CC2)c([N+](=O)[O-])cc1OC 499491402 HUKRTFBHGMKZRM-UHFFFAOYSA-N 449.301 4.394 5 20 IIBD CCCN(CCC)C(=O)c1ccc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 502543511 QGLWXBZEEBTFMU-UHFFFAOYSA-N 429.473 4.127 5 20 IIBD CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 503243470 RTUIIIFHSRGKKZ-UHFFFAOYSA-N 439.299 4.380 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC(n2cc(Cl)cn2)CC1 503249078 AJHGWHKBZYNVLF-UHFFFAOYSA-N 445.829 4.129 5 20 IIBD COc1cc(-c2nnc(COc3cc(C)c([N+](=O)[O-])cc3Cl)o2)cc(OC)c1OC 506421777 LOMVDBZFBPZYDA-UHFFFAOYSA-N 435.820 4.211 5 20 IIBD CCn1c(SC[C@@H]2CCN(C(=O)c3ccccc3)C2)nnc1-c1ccc([N+](=O)[O-])cc1 509074064 GGUSFTMQPBTZRS-MRXNPFEDSA-N 437.525 4.128 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CCCN2CCOCC2)CC1 509397737 WVRPIJIDZMQXHI-UHFFFAOYSA-N 435.590 4.060 5 20 IIBD COc1cc(CN2CCC[C@H](c3ccnn3C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 510684447 SZQQFNOSQXGKLC-IBGZPJMESA-N 436.512 4.296 5 20 IIBD O=C(CN(Cc1cccs1)Cc1cccs1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 510705073 VDYSVITXFGTQDD-UHFFFAOYSA-N 431.495 4.087 5 20 IIBD O=C(c1cc(I)c(F)cc1F)N1CCCc2c1cccc2[N+](=O)[O-] 513833813 JMRIATDPTNIGEQ-UHFFFAOYSA-N 444.175 4.071 5 20 IIBD O=C(c1cccc(S(=O)(=O)Cc2ccccc2)c1)N1CCCc2c1cccc2[N+](=O)[O-] 513833932 LOHWRLJRKKFGAA-UHFFFAOYSA-N 436.489 4.162 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCO[C@@H](c2ccc(Br)cc2)C1 516757411 KPQBWVZZRRDRRS-GOSISDBHSA-N 431.242 4.317 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)cc1C 518603829 MOBVRZKLKVTGFE-MRXNPFEDSA-N 429.498 4.307 5 20 IIBD Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 518822388 BEYHTBGSAZNUEY-INIZCTEOSA-N 427.507 4.272 5 20 IIBD COc1ccc(-c2csc(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)n2)cc1OC 521541506 KWYYZXFLMNVWOA-UHFFFAOYSA-N 438.465 4.329 5 20 IIBD Cc1ccc(C(=O)N[C@H](CC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c2ccccc2)cc1 521542761 YQXMJYGRPWGSFM-JOCHJYFZSA-N 431.492 4.423 5 20 IIBD CC[C@@H](c1ccccc1)c1nnc(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)s1 521899800 RZKAWSOCMMTWBK-KRWDZBQOSA-N 427.486 4.189 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C 525385357 UDHGCPLSQTVCSV-SJORKVTESA-N 431.920 4.139 5 20 IIBD Cn1cc(N2CCC[C@@H](Sc3nc4ccccc4c4nc5ccccc5n34)C2=O)cn1 525623379 ZBQZJOADPMVPHT-HXUWFJFHSA-N 428.521 4.057 5 20 IIBD O=C(c1ccc(-n2cc(Br)cn2)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 533328376 MLVSQLBEGMQLEG-UHFFFAOYSA-N 441.285 4.348 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H](c2nc3ccccc3s2)C1 533333844 CTDJHBWXZZYJND-AWEZNQCLSA-N 426.498 4.031 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@](C)(c2ccccc2)C1 534986483 LIDMRMZTFSUMEM-QHCPKHFHSA-N 442.537 4.444 5 20 IIBD COC(=O)c1ccc(OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c(Br)c1 535479595 MUJVADSYLIPNRR-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD O=C(Nc1nnc(Cc2ccc(F)cc2)s1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 536529089 LZGXUVCJUNCLNJ-UHFFFAOYSA-N 427.461 4.373 5 20 IIBD COc1cc(CN(C)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])ccc1OC(F)F 537607627 ZFFWVDTULIKNIK-UHFFFAOYSA-N 443.834 4.242 5 20 IIBD COc1ccc(NC(=O)N[C@H](C)[C@H](OC)c2ccc(Br)cc2)cc1[N+](=O)[O-] 542029756 UTEHIAQREDHPEU-DIFFPNOSSA-N 438.278 4.264 5 20 IIBD O=[N+]([O-])c1cc(CN[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c2c(c1)COCO2 543448111 SVFVYCNIMAGUNS-QFIPXVFZSA-N 448.454 4.481 5 20 IIBD CN(C(=O)c1ccncc1)c1ccc(-c2noc(/C=C/c3ccccc3[N+](=O)[O-])n2)cc1 544969075 FNGOECOYSKGHSQ-DHZHZOJOSA-N 427.420 4.487 5 20 IIBD Nc1ccc(-c2noc([C@H]3CC(=O)N(c4cc(Cl)cc(Cl)c4)C3)n2)cc1[N+](=O)[O-] 545548793 HKXCSKBBSXXQHR-JTQLQIEISA-N 434.239 4.054 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc(C(=O)NC3CC3)cc2)no1 545625568 VBBYRRLNXJHKKX-NSHDSACASA-N 428.832 4.330 5 20 IIBD Cc1ccnc2[nH]c(Cc3noc(-c4ccc(NCc5ccccc5)c([N+](=O)[O-])c4)n3)nc12 546472754 JYPMELFOIRZDAW-UHFFFAOYSA-N 441.451 4.427 5 20 IIBD Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 549054978 GSEAYFNSISKILT-UHFFFAOYSA-N 435.459 4.458 5 20 IIBD CC[C@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 551724430 PVODLYSVIZAESO-HNNXBMFYSA-N 440.681 4.217 5 20 IIBD C[C@@H]1CN(c2cccc(Cl)c2)CCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 552440346 YMHRBMVZUJZPMM-QGZVFWFLSA-N 442.947 4.202 5 20 IIBD C[C@@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1OCCc2sccc21 552613619 PUZNLGKGEUDGDK-ZMZPIMSZSA-N 443.447 4.296 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ncc(-c2ccccc2)[nH]1 553987506 BXDMSMDTCWNKPY-UHFFFAOYSA-N 433.390 4.122 5 20 IIBD CCCN(Cc1ccc(C)cc1)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 556517869 HPRRRBWPYACMIN-UHFFFAOYSA-N 434.290 4.043 5 20 IIBD COC1(C)CCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 557571079 JJGHSYQPUOPEAJ-UHFFFAOYSA-N 431.876 4.142 5 20 IIBD C[C@@H](N[C@@H]1c2ccccc2CC12CCOCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 558487058 IMTCIXMLWJKPMO-JLTOFOAXSA-N 429.904 4.259 5 20 IIBD COCC(C)(C)CCCNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 561702283 NDPINYSBYVECQQ-UHFFFAOYSA-N 445.482 4.399 5 20 IIBD C[C@@H](C(=O)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 564536832 WKEFLKKWEIWGKT-FZKQIMNGSA-N 444.837 4.346 5 20 IIBD CC(=O)c1ccc([N+](=O)[O-])cc1N(C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 569026603 CPFMNKFSGHLDNV-UHFFFAOYSA-N 439.493 4.235 5 20 IIBD CS(=O)(=O)c1ccc(-c2nc(-c3ccc(OC4CCCCC4)cc3)no2)cc1[N+](=O)[O-] 578554871 AWAJXWXIYDRUOK-UHFFFAOYSA-N 443.481 4.427 5 20 IIBD CC(=O)NCC[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 580353907 LSZRQDZBRJJCMR-KRWDZBQOSA-N 427.526 4.124 5 20 IIBD CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2Nc2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])C1 581153040 FNHCGRLLTQRUPH-CEWLAPEOSA-N 436.512 4.214 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 587803021 ROOKTYLJKPHFIW-PIKADFDJSA-N 430.888 4.047 5 20 IIBD COc1ccc(CN[C@@H]2CC[C@](O)(C(F)(F)F)C2)cc1OCc1ccc([N+](=O)[O-])cc1 589938224 JWEQBQBVJAUFHA-OXQOHEQNSA-N 440.418 4.118 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CC[C@H](Oc3cncc(Br)c3)C2)cc1[N+](=O)[O-] 590556056 DPEWFQXSLVUEIT-HNNXBMFYSA-N 448.317 4.343 5 20 IIBD COc1cc(NC(=O)c2ccccc2[N+](=O)[O-])c(C(=O)N2[C@H](C)CCC[C@H]2C)cc1OC 603596953 TVJMTUMFOAQHQY-HUUCEWRRSA-N 441.484 4.267 5 20 IIBD C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)Nc2ccccc2)cc1 603900768 WKAHFCBNEVMWIJ-INIZCTEOSA-N 434.452 4.495 5 20 IIBD CCCOc1cc(NC(=O)[C@H]2CCCCN2C(=O)C(C)C)c([N+](=O)[O-])cc1OCCC 603951838 LDWPRIHVPJQWRI-QGZVFWFLSA-N 435.521 4.148 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)c1C 603956688 IDOOFTCIOZBOLJ-KRWDZBQOSA-N 441.509 4.225 5 20 IIBD CC[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc(Cl)c1 604140562 ZBYGZLZPNOITIL-ZDUSSCGKSA-N 427.791 4.056 5 20 IIBD C[C@@H](Nc1ccc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1Cl)c1ccccc1 604533240 AJSXWDVPHVDLOY-CQSZACIVSA-N 426.860 4.222 5 20 IIBD COc1cccc(CC(=O)N2CCc3ccc(NC(=O)c4ccc([N+](=O)[O-])s4)cc32)c1 608945041 RDXWZBLKDQPOKQ-UHFFFAOYSA-N 437.477 4.049 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ccc2nc(C3CC3)sc2c1 609392324 YAMKHBCBLZVUPN-UHFFFAOYSA-N 430.873 4.104 5 20 IIBD O=C(CCCNC(=O)c1ccc([N+](=O)[O-])cc1Br)Nc1ccc(Cl)cc1 610061347 DRHNUJCCEGHEDZ-UHFFFAOYSA-N 440.681 4.159 5 20 IIBD O=C(NCc1cccc(OCc2ccccn2)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 610963549 UUXXKJUVNYHTLX-UHFFFAOYSA-N 432.480 4.443 5 20 IIBD O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 619656227 FBACXYSVMHKMLC-QGZVFWFLSA-N 439.537 4.267 5 20 IIBD Cc1ccccc1-n1nc(C)c(CN(C)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1C 725825632 FTZMTGBYBOQHDA-UHFFFAOYSA-N 448.932 4.180 5 20 IIBD CC(C)(C)c1ccc(N2CCC(NC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)CC2)cc1 727374472 FZQRHAMAZWECJU-UHFFFAOYSA-N 439.512 4.062 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 729053465 ILKWWPNDNSEAQQ-SFHVURJKSA-N 434.537 4.162 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)C1CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 730267592 QBANPQYCPWRXTB-HUUCEWRRSA-N 445.520 4.331 5 20 IIBD NC(=O)c1ccc(SCC(=O)O[C@H](c2cccc(Cl)c2)C(F)(F)F)c([N+](=O)[O-])c1 730417971 MKONSIWEFCCIHY-OAHLLOKOSA-N 448.806 4.286 5 20 IIBD CCN(C(=O)[C@H](C)OC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1cccc2ccccc12 731712760 RTTYMFOSDQNELZ-INIZCTEOSA-N 446.463 4.083 5 20 IIBD COC(=O)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)Cc1ccc2ccccc2c1 733364973 XWSBTARGXYJDPK-QGZVFWFLSA-N 426.856 4.163 5 20 IIBD C[C@@H](NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])c1nc2ccccc2s1 734153898 CAVTUYVLOILQQA-SECBINFHSA-N 442.316 4.007 5 20 IIBD CCN(CC)CCNC(=O)c1ccc(OC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 734393962 XRSKOKPNPYQOHG-UHFFFAOYSA-N 441.509 4.100 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 735931199 WVBMACLHUUYGRL-OAHLLOKOSA-N 449.423 4.017 5 20 IIBD C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 742137374 APXOUPWABFVWBR-KRWDZBQOSA-N 442.947 4.367 5 20 IIBD COc1ccc([C@H]2CCCCCN2C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2C)cc1 742994721 CYQWGKHLPIQALG-OAQYLSRUSA-N 426.469 4.213 5 20 IIBD COc1cc(C(=O)OCCn2ccccc2=O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 745574280 YTCOWLPILJPQLN-UHFFFAOYSA-N 444.827 4.068 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@@H](C)c1ccc(Br)s1 745642510 IWKGRPARDHMDLK-JTQLQIEISA-N 427.276 4.013 5 20 IIBD Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 747957701 PZLLWQFOKIIZCW-LSDHHAIUSA-N 439.493 4.449 5 20 IIBD Cc1ccccc1[C@H](OC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)c1cccs1 748505771 SPDPNZKQYJRFMN-NRFANRHFSA-N 439.493 4.097 5 20 IIBD Cc1c(C(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748710672 FVHVMHPSEQDCAT-UHFFFAOYSA-N 447.394 4.133 5 20 IIBD C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 749874731 VTEOAFYFTMUEGQ-ZDUSSCGKSA-N 430.917 4.377 5 20 IIBD CCN(CC)C(=O)COc1ccc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1Cl 750563956 AAISESQWGXCUDD-UHFFFAOYSA-N 441.818 4.026 5 20 IIBD O=C(CSc1nc2ccccc2o1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 750582398 FJFGANAGLWSMFG-UHFFFAOYSA-N 448.298 4.176 5 20 IIBD Cc1nc(-c2ccccc2)oc1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 750942753 AXSPXCQIAIVVPE-LBPRGKRZSA-N 429.816 4.396 5 20 IIBD COc1cccc2c1OCC(C(=O)Oc1ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc1)=C2 751055518 VJZCACYHKJDXAZ-UHFFFAOYSA-N 446.415 4.237 5 20 IIBD CC(C)COC(=O)Nc1cccc(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 751269657 CXOURFNPUWXMRI-UHFFFAOYSA-N 427.866 4.254 5 20 IIBD O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 751634801 JADYWNBLXPSLAL-UHFFFAOYSA-N 441.403 4.341 5 20 IIBD CCOC(=O)c1c(COC(=O)c2c(F)ccc([N+](=O)[O-])c2F)nc2ccccc2c1C 752566816 GVEITJBUWGZHRL-UHFFFAOYSA-N 430.363 4.263 5 20 IIBD C[C@H](N[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 754311058 DORWCUZLCZUYPG-ZOBUZTSGSA-N 445.520 4.331 5 20 IIBD CCOc1cc(COC(=O)[C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)ccc1[N+](=O)[O-] 755548606 IFIHNRAFMYMCDX-INIZCTEOSA-N 434.489 4.074 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 756998133 WLBJGAKFLFKWSV-CYBMUJFWSA-N 442.686 4.224 5 20 IIBD COC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)c1cccc(C(F)(F)F)c1 758395798 ZZYJKRKJEWACJC-ZDUSSCGKSA-N 447.207 4.494 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cnc(Cl)c(Br)c2C)c1C 758945735 DTAHOROYXWZIMT-UHFFFAOYSA-N 434.699 4.132 5 20 IIBD CN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H](c1ccc(Cl)cc1)C(F)(F)F 759100102 XTHBLFHANDPXQF-QGZVFWFLSA-N 426.782 4.360 5 20 IIBD C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 759848479 CIBWABALKVJJNK-NSHDSACASA-N 439.251 4.292 5 20 IIBD O=C(NCCNc1ncnc2sccc12)c1cc([N+](=O)[O-])ccc1SC1CCCC1 763816321 XXUQUIIQGSHSEN-UHFFFAOYSA-N 443.554 4.476 5 20 IIBD Cc1c(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cnn1-c1ccccc1F 772729739 OOXXAUQBDWSUAX-UHFFFAOYSA-N 437.200 4.382 5 20 IIBD C[C@@H]1C[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCN1C(=O)OC(C)(C)C 775237503 PDSYMEJVYYADLP-NVXWUHKLSA-N 432.521 4.057 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCO[C@H](c2ccc(F)cc2Cl)C1 775732247 UZBKPBFZDSHGAX-ZMZPIMSZSA-N 442.274 4.441 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1cc(=O)n2c(C)csc2n1 777230746 DSKFBUZXPDCJDV-UHFFFAOYSA-N 433.511 4.222 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@@](O)(c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 777735262 YKNFCYNQEMJFOM-NOZRDPDXSA-N 449.482 4.316 5 20 IIBD O=C(Cc1csc(Cc2ccc(F)cc2)n1)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 778787126 OHMFPRVYTZAWNH-FQEVSTJZSA-N 441.484 4.146 5 20 IIBD O=[N+]([O-])c1cc(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)ccc1Br 779160384 VIHXEJPIDXEQFQ-UHFFFAOYSA-N 433.228 4.410 5 20 IIBD O=C(OCCn1cnc([N+](=O)[O-])n1)c1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1 779218255 CGAZSKXCVFNGFW-UHFFFAOYSA-N 447.407 4.023 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)N[C@H]1CCOc2ccccc21 780282000 CBGVNJANIZHCDY-KDOFPFPSSA-N 444.509 4.282 5 20 IIBD O=C(OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1ncsc1-c1ccccc1 783089366 DCTHXRGNUZHPFT-INIZCTEOSA-N 437.477 4.180 5 20 IIBD CCN(Cc1ccccc1)C(=O)[C@@H](C)OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 783316083 NEYLUDNLSKQKKO-OAHLLOKOSA-N 439.493 4.312 5 20 IIBD Cc1nn(-c2ccccc2)c2nc(C(=O)O[C@@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)ccc12 783410623 UBVAIEPRGNWCMM-VQTJNVASSA-N 446.467 4.174 5 20 IIBD O=C(NCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1)OCc1ccccc1 787788181 XYQYOHXCEDKDIV-UHFFFAOYSA-N 431.876 4.027 5 20 IIBD CC(C)NC(=O)c1ccc(N2CCC(COc3ccc(Cl)nc3)CC2)c([N+](=O)[O-])c1 788561322 WCVZHIOERSQQTK-UHFFFAOYSA-N 432.908 4.077 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1cc(F)cc2cccnc12 790135051 IJEQRSPRDIUSLX-UHFFFAOYSA-N 435.415 4.383 5 20 IIBD CN(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 790924187 WPMAAYMXKPPFPT-JKSUJKDBSA-N 431.222 4.110 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 791366023 FCVBVDGVPGQOBA-SSEXGKCCSA-N 427.457 4.017 5 20 IIBD C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 793591775 SVVPEPPYNZQSKP-IFXJQAMLSA-N 447.417 4.292 5 20 IIBD CCc1[nH]nc(C(=O)O[C@@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)c1[N+](=O)[O-] 795614326 XAKANDZLUXZHES-ZETCQYMHSA-N 426.216 4.155 5 20 IIBD C[C@@]1(c2ccc(Cl)s2)NC(=O)N(Cc2ccc(Br)c([N+](=O)[O-])c2)C1=O 800834494 ZFESRINACWNGMS-HNNXBMFYSA-N 444.694 4.039 5 20 IIBD COc1ccccc1COc1cccc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)c1C 801932229 JCOMABKKOPVTEN-UHFFFAOYSA-N 425.416 4.464 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NC(=O)c1cc([N+](=O)[O-])c(F)cc1N 801955440 SZGFORLLKYXAJX-GOSISDBHSA-N 444.463 4.471 5 20 IIBD COc1cc(C(=O)OCc2ccc[n+]([O-])c2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 802182266 VPKYHYCKWREYEZ-UHFFFAOYSA-N 430.800 4.040 5 20 IIBD CCN(C)C(=O)CSc1ccc([C@H](C)OC(=O)c2cc(F)c([N+](=O)[O-])cc2F)cc1 809320210 HJNDVDQVXXTARX-LBPRGKRZSA-N 438.452 4.361 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1cnc2c(cnn2C(C)C)c1 812003893 FVMXCCIMBRPQJF-UHFFFAOYSA-N 449.471 4.021 5 20 IIBD CC(C)(C)OC(=O)NCCC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1 812396145 LKTTXSSULFTJRZ-KRWDZBQOSA-N 429.473 4.076 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 813800544 UOYZFJKTZOAXGK-CQSZACIVSA-N 434.493 4.047 5 20 IIBD O=C(NCCOC(=O)c1cc(Cl)c(F)cc1Cl)c1ccc([N+](=O)[O-])cc1Cl 815922240 HOFWMWMCRTXCNR-UHFFFAOYSA-N 435.622 4.281 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3nc(Cl)sc3c2)cc1Br 821095820 AKOKEXRBQCQWCA-UHFFFAOYSA-N 448.707 4.421 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 914760912 RODDBINZWYUCPL-QFIPXVFZSA-N 447.491 4.091 5 20 IIBD COc1ccc(CSCC(=O)O[C@@H](C)C(=O)c2ccc3c(c2)CCC3)cc1[N+](=O)[O-] 914916407 RHHIWLIPHXIVCV-AWEZNQCLSA-N 429.494 4.140 5 20 IIBD O=[N+]([O-])c1ccc(-c2ncn(CN3CCC[C@@H]3c3ccc(Br)cc3)n2)cc1 917487960 XUOCMPFCMBOXIC-GOSISDBHSA-N 428.290 4.410 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)cc1[N+](=O)[O-] 918393055 WSBPHSBPQCJYEQ-OAQYLSRUSA-N 426.473 4.014 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@H](C)Oc1cccc(C(C)C)c1 919450489 MDHQABKBAQGKRL-GJZGRUSLSA-N 430.457 4.065 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 920201450 WNRFWJRWGHEPNK-NSHDSACASA-N 444.900 4.496 5 20 IIBD CCCN(Cc1nc(O)c2sccc2n1)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 1115823385 AUVDPDGVXCJEKR-LBPRGKRZSA-N 432.527 4.225 5 20 IIBD Cc1nnc([C@H]2Cc3ccccc3CN2Cc2ccc([N+](=O)[O-])cc2Br)o1 1320533812 QFLXESXPBCJEAM-GOSISDBHSA-N 429.274 4.348 5 20 IIBD COC(=O)[C@H]1CCC[C@@H]1NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 1321213135 JVTZQHLNTCUNFN-HOCLYGCPSA-N 434.901 4.471 5 20 IIBD O=C(OCc1ccccc1)c1cccc(CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c1 1322199679 XWMUZLOOMCSCGO-UHFFFAOYSA-N 431.448 4.177 5 20 IIBD COc1cc(OC)cc(-c2nnc(-c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)o2)c1 1326486366 LYIGYQVTFMQZPA-UHFFFAOYSA-N 435.440 4.191 5 20 IIBD O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)c1cc(F)c(F)cc1[N+](=O)[O-] 1337647356 MVUMBYJMZPTTJV-UHFFFAOYSA-N 441.765 4.462 5 20 IIBD Cn1cc([C@@H](NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c2ccccc2)cn1 1337694967 OPEDJQMRQSVUKL-KRWDZBQOSA-N 430.262 4.002 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Br)c1ccc(-c2ccccc2)nc1O 1338243953 PHECHNCBVZGNPL-UHFFFAOYSA-N 429.226 4.482 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(I)c1)c1cnn(C2CCCCC2)c1 1340028321 WWGFQFJULBVHKO-UHFFFAOYSA-N 440.241 4.153 5 20 IIBD CCc1noc(C)c1C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1 1789812232 SNNNRCHSJVTYQX-UHFFFAOYSA-N 438.440 4.108 5 20 IIBD C/C=C(/C)C(=O)NC1(c2ccc(NC(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2)CCC1 1790828165 WVAMDXKECAOSLZ-BNNQUZSASA-N 433.468 4.185 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(Cl)c1 1799621163 BLJLHFFSIRLQPI-FCJRBGQTSA-N 439.899 4.213 5 20 IIBD Cc1nc2cc(F)ccc2cc1C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 10859965 VEJABTJICCMKPB-NSHDSACASA-N 431.807 4.428 5 20 IIBD Cc1nc(Cc2nnc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)o2)cs1 11104067 VQRDDAXIMFCRMX-MRVPVSSYSA-N 439.906 4.106 5 20 IIBD O=C(CSc1nnc(NCc2ccccc2)s1)Nc1ccc(Cl)cc1[N+](=O)[O-] 11410061 IDTPYCBJJANMDS-UHFFFAOYSA-N 435.918 4.443 5 20 IIBD COc1ccc(C(=O)OCC(=O)N[C@@H](c2ccc(C)cc2)c2cccs2)cc1[N+](=O)[O-] 17529327 OFJIGPKZVNHYFG-NRFANRHFSA-N 440.477 4.036 5 20 IIBD C[C@@H](OC(=O)c1ccc(F)cc1Br)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 17836918 MNCZJRPFFNUDMY-MRVPVSSYSA-N 445.628 4.334 5 20 IIBD CC(=O)NCCCc1ccc(-c2csc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)cc1 18706490 GZCSVDXEPKSWSL-UHFFFAOYSA-N 438.509 4.348 5 20 IIBD CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 18747412 LKGZZVGHELVFJA-JLTOFOAXSA-N 448.435 4.213 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(Sc2nccn2Cc2ccccc2)c([N+](=O)[O-])c1 18901305 HNPBYDKIMYKHAU-UHFFFAOYSA-N 446.554 4.021 5 20 IIBD Cc1nc(CC(=O)O[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)cs1 22619202 AHVLJJPRZOVCNZ-LJQANCHMSA-N 445.884 4.479 5 20 IIBD CC[C@H](c1nnc(SCc2ccccc2[N+](=O)[O-])n1-c1ccc(OC)cc1)N(C)C 25757088 LNBWANPVDQFAFW-GOSISDBHSA-N 427.530 4.489 5 20 IIBD Cc1ccc(NC(=O)COC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(Br)c1 28279923 JLWCJJXYBGXZRU-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD CCCn1c(SCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])nc2ccccc2c1=O 28419061 KLTYIMNTJLGJEM-UHFFFAOYSA-N 432.889 4.099 5 20 IIBD Cc1sc(NC(=O)c2cccn(Cc3ccccc3)c2=O)nc1-c1cccc([N+](=O)[O-])c1 64807804 RGEQABCIWUCSQA-UHFFFAOYSA-N 446.488 4.489 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCc2ccc(N3CCCC3)nc2)cc1[N+](=O)[O-])c1ccccn1 108779910 IAOAFPPUQVPJGH-KRWDZBQOSA-N 446.511 4.088 5 20 IIBD C[C@@H](Nc1cccc(CN2CCCCC2=O)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 109616859 KFBVFGLSVFSGGF-CQSZACIVSA-N 430.892 4.200 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc(C(=O)N2CCc3ccccc32)cc1 109647804 LFTUFJYPCYQMAP-UHFFFAOYSA-N 440.459 4.391 5 20 IIBD COc1cc(CNCCc2c[nH]c3cc(F)ccc23)c([N+](=O)[O-])cc1OCC(F)(F)F 237407607 LLMXAAXTDKYIQU-UHFFFAOYSA-N 441.381 4.497 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 255958920 HPIOYJCZEAHJHT-QUCCMNQESA-N 438.311 4.129 5 20 IIBD Cc1nc(N[C@@H]2CCc3c(O)cccc32)nc(N[C@@H]2CCc3c(O)cccc32)c1[N+](=O)[O-] 301987998 LHTGDEIQJZXKRO-QZTJIDSGSA-N 433.468 4.303 5 20 IIBD CCOc1cc(NC(=O)NCc2ccc(-n3ccnc3)c(F)c2)c([N+](=O)[O-])cc1OCC 409659808 OMEGSDLWVLWWHO-UHFFFAOYSA-N 443.435 4.039 5 20 IIBD O=C(c1ccc(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1)N1CCCCC1 426000039 GLFQFSCULIGERO-UHFFFAOYSA-N 436.512 4.095 5 20 IIBD CCOCCCn1c(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])nc2ccccc21 429796349 OPCOMNYXDPCMOQ-UHFFFAOYSA-N 447.289 4.386 5 20 IIBD CC(C)(NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccc([N+](=O)[O-])cc1 430578465 PIKNCZYEOXNPFW-MRXNPFEDSA-N 429.904 4.152 5 20 IIBD O=C(N[C@H]1CCC[C@@H]1OCc1ccccc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 430859327 HZXDXRAPIBGIDL-HKUYNNGSSA-N 438.402 4.404 5 20 IIBD CC(C)c1[nH]nc(C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)c1[N+](=O)[O-] 433936409 JRSDTPQVHGROSB-UHFFFAOYSA-N 425.420 4.014 5 20 IIBD C[C@@H](c1ccc(Br)cc1)N1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 435042660 WHBUBUVVIDOCBO-AWEZNQCLSA-N 445.317 4.377 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C 440027533 KSSCYHGUIKEWAV-MRXNPFEDSA-N 440.500 4.258 5 20 IIBD C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 441085593 BVTMMSTZTKTVAL-RYUDHWBXSA-N 428.436 4.277 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(Cc1csc(Br)c1)C1CC1 443737072 LVYUGBTUUAPUEB-UHFFFAOYSA-N 431.333 4.081 5 20 IIBD COc1ccc([C@H](C)NC(=O)Cc2noc([C@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)cc1 445806392 VJTLCXPCBXLFNZ-KBPBESRZSA-N 442.497 4.260 5 20 IIBD Cc1ccccc1-c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)n(C)n1 446966807 OTXFITSIRAZGBP-UHFFFAOYSA-N 440.403 4.123 5 20 IIBD C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccccc1OC(F)F 446969683 OOUCYVVMPDMWJY-SECBINFHSA-N 440.346 4.255 5 20 IIBD COC(=O)[C@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(Br)c1 447398563 SGWRSEFHPSMEOD-OAHLLOKOSA-N 447.207 4.380 5 20 IIBD CCOC1CC(CN[C@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)(N2CCOCC2)C1 447571953 LYBMGGXKEDPISI-GBFLJEJBSA-N 445.585 4.244 5 20 IIBD COc1ccc2c(c1)nc(CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])n2C 447676359 BXMGHENNDHWNQV-UHFFFAOYSA-N 431.321 4.151 5 20 IIBD COC(=O)c1ccc(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])cc1OC 447682600 HYRXIYFICDNTGM-UHFFFAOYSA-N 435.305 4.051 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1N(C)C1CCN(C)CC1 463949469 JMNFBNBGFSEVBD-LEWJYISDSA-N 431.581 4.013 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C 463974048 RIDXALGJYOZFBK-UHFFFAOYSA-N 434.880 4.332 5 20 IIBD Cc1cccc([C@H]2CCCCN2C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])c1C 464591435 JPVBWGOIFFYVSM-GOSISDBHSA-N 427.526 4.156 5 20 IIBD COc1ccc([C@@H](Cc2ccccc2)NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 464709140 HCUHHJCBOUXOIL-HXUWFJFHSA-N 436.464 4.334 5 20 IIBD CC[C@@H]1Oc2cc([C@H](C)NC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])ccc2NC1=O 465373573 KSMYCRPKNWEXKX-JKDFXYPNSA-N 447.875 4.002 5 20 IIBD O=C(NCc1ccccc1OCC1CC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465983323 QWTOIGYSKOHKOS-UHFFFAOYSA-N 425.485 4.137 5 20 IIBD C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 466439542 TYDXPYKZNORVCI-JUCITSJASA-N 438.958 4.381 5 20 IIBD COc1cc(C(=O)Nc2cc(F)c(Br)cc2Cl)c([N+](=O)[O-])cc1OC 466448476 KIOSRKWCJZYEGE-UHFFFAOYSA-N 433.617 4.419 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C3)cs1 467055609 BAZIFJHBBTUARD-UHFFFAOYSA-N 441.581 4.205 5 20 IIBD C[C@@H]1CCC[C@H](N(Cc2c(F)cccc2Cl)C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@@H]1C 469076212 XVBOXJBJSJUIHT-CLCXKQKWSA-N 449.910 4.403 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1c1ccc(C(C)C)cc1 469322952 KLONPWGMVYYMNP-IBGZPJMESA-N 432.498 4.031 5 20 IIBD CN(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1cccc(C(F)(F)F)c1 469487072 BVBBZXDLWRACIT-GOSISDBHSA-N 432.402 4.195 5 20 IIBD CCc1ccc(C(=O)N[C@H](CC)c2ccccc2OCC(=O)N2CCCC2)cc1[N+](=O)[O-] 471349564 FZDBAICISJZGGB-HXUWFJFHSA-N 439.512 4.040 5 20 IIBD CCc1ccc(C(=O)Nc2cc(Br)ccc2N2CCOCC2)cc1[N+](=O)[O-] 471367038 QXVJSMFBJADWFF-UHFFFAOYSA-N 434.290 4.009 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)NC(C)(C)c2cccc(Cl)c2F)cc1OC 471641657 GCIWPHMRJKAEFS-UHFFFAOYSA-N 440.855 4.086 5 20 IIBD O=C(Nc1cccc(COCCc2ccccc2)c1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 472733870 VYNSREURJOWLFU-UHFFFAOYSA-N 437.427 4.070 5 20 IIBD Cc1ccc([C@H](C)NC(=O)NCCc2cccc(OCC(F)(F)F)c2)cc1[N+](=O)[O-] 474516458 MBAKMWJBQHIZKG-AWEZNQCLSA-N 425.407 4.447 5 20 IIBD COc1c(C(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)cccc1[N+](=O)[O-] 475922328 XDRSLOREALSICO-UHFFFAOYSA-N 426.450 4.283 5 20 IIBD CC(C)c1[nH]nc(C(=O)N2CCCC[C@H]2c2ncc(-c3cccc(F)c3)[nH]2)c1[N+](=O)[O-] 476834937 ZGNTVNWVDHIPCN-INIZCTEOSA-N 426.452 4.338 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1 478887275 RCUFBVMQHOMXHM-KUHUBIRLSA-N 436.295 4.080 5 20 IIBD CC(C)(C)c1ccc(C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)cc1[N+](=O)[O-] 480381241 WDWUAJDELAQYLG-UHFFFAOYSA-N 427.476 4.066 5 20 IIBD CCn1c(S[C@H](C)C(=O)NC[C@@H](C)c2ccccc2)nnc1-c1ccc([N+](=O)[O-])cc1 481333540 CECYOYURYDBZKD-HZPDHXFCSA-N 439.541 4.274 5 20 IIBD CCn1c(SCC(=O)Nc2ccccc2OC(F)F)nnc1-c1ccc([N+](=O)[O-])cc1 481337891 JWHTWMHBIBSHBP-UHFFFAOYSA-N 449.439 4.205 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1SC 482505909 OUWISSJOCGPSEN-GFCCVEGCSA-N 444.488 4.450 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)cc1SC 482836635 DXINLQMIVRRCCR-HUUCEWRRSA-N 445.541 4.187 5 20 IIBD Cc1nc(-c2ccccc2NC(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cs1 484320822 IQVYXNHTPXDOMQ-UHFFFAOYSA-N 436.493 4.156 5 20 IIBD O=C(Nc1nnc(-c2cccc(Cl)c2)s1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 484836701 PASQNBKKSCRAIS-UHFFFAOYSA-N 426.845 4.205 5 20 IIBD Cc1ccccc1CN(Cc1ccccn1)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 486276149 ORRLAIBIBWZSKB-UHFFFAOYSA-N 427.464 4.327 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2CCC[C@@H](CSC)C2)c([N+](=O)[O-])c1 488927250 XGUVTWWMXZQSMP-OAHLLOKOSA-N 428.510 4.192 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)N1CCCC1 489870940 FRUOVNDKMWWOLM-DYESRHJHSA-N 426.517 4.109 5 20 IIBD O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 493239043 RAJVINJRJZWBEN-GOSISDBHSA-N 441.915 4.292 5 20 IIBD CCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 495930634 OUUJSUPKAFDXOH-GOSISDBHSA-N 441.553 4.433 5 20 IIBD O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)Nc1ccc(SC2CCCC2)cc1 498357650 ZLOWDAWTGNIPKM-UHFFFAOYSA-N 428.514 4.067 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1 498415003 UHFDOLMBKQICPY-UHFFFAOYSA-N 432.502 4.112 5 20 IIBD COc1cc(C(=O)N[C@H](c2cccc(C)c2)c2ccccn2)c([N+](=O)[O-])cc1OC(F)F 499357492 FAAXSCQYSVMCJH-HXUWFJFHSA-N 443.406 4.428 5 20 IIBD CC(C)c1c(C(=O)NCc2ccccc2[N+](=O)[O-])cnn1-c1ccc(C(F)(F)F)cn1 500788356 QYUZGIHSRBRONR-UHFFFAOYSA-N 433.390 4.248 5 20 IIBD CC[C@@H](C(=O)N1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1)c1ccccc1 502028008 CLLGJJCYFXEAPG-GOSISDBHSA-N 429.904 4.163 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1ccc(Oc2ccccc2)cc1 506268134 DWGZPSNRQRFGTI-OAHLLOKOSA-N 440.477 4.282 5 20 IIBD O=C(NCc1ccc(OC2CCCCC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 507128109 JTNXFDMSGKORGT-UHFFFAOYSA-N 431.876 4.215 5 20 IIBD CCOC(=O)CN(C(=O)c1csc([N+](=O)[O-])c1)[C@H](C)c1cccc(Br)c1 508313300 ABSONXYFWDXUSY-LLVKDONJSA-N 441.303 4.185 5 20 IIBD COc1cc(Br)c(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc1OC 509402267 VUYXZHVMJTXLTN-UHFFFAOYSA-N 427.276 4.349 5 20 IIBD Cc1ccc(S(=O)(=O)N(C)CCCCCc2cc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])c1 509775108 FPMILRMKYTUNML-UHFFFAOYSA-N 442.541 4.327 5 20 IIBD CCC(CC)c1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2I)s1 511378966 BBFZFFYLBIIGHG-UHFFFAOYSA-N 446.270 4.207 5 20 IIBD CCOC(=O)CN(C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C1CC1 511446069 SDPCPAIHDPEJFY-UHFFFAOYSA-N 431.876 4.028 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1)NCCOc1ccc2cc(Br)ccc2c1 516779451 FEQXTALPOMONHG-UHFFFAOYSA-N 429.270 4.248 5 20 IIBD O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N(Cc1cccs1)c1ccc(F)cc1F 518285451 MNFZNLJWTNHXMF-UHFFFAOYSA-N 441.419 4.362 5 20 IIBD Cc1cc(C(=O)N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)CC2)c(C)o1 518486849 RPQCTQAGMIDOEF-UHFFFAOYSA-N 449.463 4.195 5 20 IIBD O=C(NCc1ccncc1OCc1ccccc1)c1ccc(Br)cc1[N+](=O)[O-] 519724798 JHETXROQUQVUSU-UHFFFAOYSA-N 442.269 4.261 5 20 IIBD CC(C)N(C)C(=O)c1ccc(Cl)c(NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 521147774 VMUFXLDLBACMKM-UHFFFAOYSA-N 429.864 4.391 5 20 IIBD O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 521848354 XFBXPBSAWPQGRB-UKRRQHHQSA-N 440.443 4.379 5 20 IIBD CC(C)[C@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 522559773 ZJWYENKPSQHKLP-IBGZPJMESA-N 437.418 4.247 5 20 IIBD Cc1nn(CCC(=O)N2CCC[C@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)c(C)c1[N+](=O)[O-] 522856198 KJQHJJTUIRVUQD-SFHVURJKSA-N 442.907 4.205 5 20 IIBD O=C(Nc1cc(N2CCCC2=O)ccc1Cl)c1ccc([N+](=O)[O-])cc1Br 523501679 LSNVOGMLUBDTFQ-UHFFFAOYSA-N 438.665 4.390 5 20 IIBD O=C(Cc1csc(Cc2ccccc2)n1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 525104710 CIHPRCIEEWMRBK-OAQYLSRUSA-N 425.535 4.459 5 20 IIBD CSc1cccc([C@H](NC(=O)c2c([N+](=O)[O-])c(C)nn2C)c2cc(F)ccc2F)c1 525209049 WODGPIAFVWZRPF-KRWDZBQOSA-N 432.452 4.156 5 20 IIBD CN(C)[C@@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 530830878 SUXXIFKZJMJLCF-KRWDZBQOSA-N 445.825 4.222 5 20 IIBD C[C@@]1(CN[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)CCCO1 532292668 TWQLUNBHAGHSNW-QUCCMNQESA-N 448.317 4.196 5 20 IIBD C[C@@]1(c2cccc3ccccc23)NC(=O)N(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1=O 534032783 LKFUKGAZBLBKRP-DEOSSOPVSA-N 442.431 4.370 5 20 IIBD O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CCC[C@@H]1c1cccs1 534290569 QAHQHNWJMZQEGO-CYBMUJFWSA-N 428.251 4.238 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCC[C@H]2Cn2cnc3ccccc32)cc1[N+](=O)[O-] 535951781 KPKWBGVPDALGLD-HNNXBMFYSA-N 443.301 4.320 5 20 IIBD O=[N+]([O-])c1cccc2ncnc(NC[C@@H]3CCN(c4ccc(Br)cc4)C3)c12 542508307 SWZGLRXZTLMJLK-ZDUSSCGKSA-N 428.290 4.239 5 20 IIBD CC(=O)c1cc(Br)cc(F)c1OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 544079891 XUXSSPLQAYDHIR-UHFFFAOYSA-N 445.628 4.370 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc(C2CCN(C(=O)CCOc3ccccc3)CC2)n1 544729068 ZAPYTOXCLOXHGD-UHFFFAOYSA-N 436.468 4.128 5 20 IIBD CCn1c(SCc2nc(Cc3ccccc3[N+](=O)[O-])no2)nnc1-c1cccc(C)c1 544912754 WOZVLDIVBPTXDZ-UHFFFAOYSA-N 436.497 4.448 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3ccc(Cn4cccn4)cc3)n2)c(Br)c1 545742612 OAWJLFAEMUDWNG-UHFFFAOYSA-N 440.257 4.243 5 20 IIBD COCCCOc1cc(C)ccc1-c1noc(-c2cc(O)nc3ccc([N+](=O)[O-])cc23)n1 545762534 INNFNCJQBLRVKV-UHFFFAOYSA-N 436.424 4.289 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc([C@H]2CC(=O)N(c3ccccc3)C2)no1 546418247 NVZPOXYASPSRPB-STQMWFEESA-N 428.832 4.292 5 20 IIBD O=C(c1cccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c1)N1CCOCC1 546679772 CXHGFKJLWINOIV-UHFFFAOYSA-N 437.521 4.086 5 20 IIBD Cn1c(SCc2ccc(OCc3ccncc3)cc2)nc2cc([N+](=O)[O-])ccc2c1=O 547234571 QXCZYOHRHISNER-UHFFFAOYSA-N 434.477 4.108 5 20 IIBD CCn1cc(N[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)cn1 547244098 HPNCXRVZCMJMKA-SFHVURJKSA-N 444.289 4.366 5 20 IIBD CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C[C@@H](C(F)(F)F)O1 553372161 HPRSBJZIPKBARC-SFHVURJKSA-N 437.418 4.389 5 20 IIBD O=C(N[C@H]1CCCC[C@@H]1Cc1ccccc1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 553444271 YOSBULPWPVEHDD-KNQAVFIVSA-N 435.524 4.004 5 20 IIBD CC(C)(NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1[N+](=O)[O-] 554055884 YLXMPEWWUSMTSK-UHFFFAOYSA-N 432.889 4.442 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CCCn4c(cc5ccccc54)C3)cc2)c(C)c1[N+](=O)[O-] 554093773 XUGMWTDLTMHWIG-UHFFFAOYSA-N 443.507 4.457 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1 555869758 RTLNMIQTBCJGPS-KRWDZBQOSA-N 441.228 4.158 5 20 IIBD CO[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(C(=O)c2ccc(NCc4ccccc4Cl)c([N+](=O)[O-])c2)[C@H]31 557534480 XYVWTEVSHYFKBV-FIOCPMRGSA-N 441.915 4.356 5 20 IIBD CCC[C@@]1(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCOC1 557616430 DCRCVXLRGSXTAE-XMMPIXPASA-N 434.496 4.065 5 20 IIBD CNC(=O)c1cccc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1Br 558247640 LFVRZUORSWJIGO-UHFFFAOYSA-N 434.290 4.267 5 20 IIBD CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 558831808 WXLRCAPNTDMDEB-UHFFFAOYSA-N 446.511 4.326 5 20 IIBD CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 560793529 MYEWXNJRHRSGKV-CDHQVMDDSA-N 447.329 4.367 5 20 IIBD C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 562115781 ZRPOHYPYXDJVEN-NSHDSACASA-N 436.419 4.054 5 20 IIBD COc1ccc([C@H](Cc2ccccc2)NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 578726544 WVAOGRWMOVERDK-NRFANRHFSA-N 448.475 4.017 5 20 IIBD O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)C1CCN(c2ccccc2[N+](=O)[O-])CC1 583903063 DGXWYAVWSBCWCH-SFHVURJKSA-N 435.446 4.349 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 590549149 BKPILPUVNLCZNN-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 603580781 DFIJEUHFGXXERU-UHFFFAOYSA-N 436.255 4.022 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc([C@@H](C)Nc2ccc3cc([N+](=O)[O-])ccc3n2)cc1 603838142 YZOTUKWBZNPCTR-OAHLLOKOSA-N 428.514 4.347 5 20 IIBD CC(=O)Nc1cccc2c1CCN(c1c([N+](=O)[O-])cnc3ccc(Br)cc13)C2 603933383 QLJIFRQLEQALBD-UHFFFAOYSA-N 441.285 4.427 5 20 IIBD O=C(NC[C@@H]1Cc2ccccc21)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 604108878 PBOJWSSGSJRKEQ-INIZCTEOSA-N 433.430 4.286 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CCCO[C@H]2c2ccccc2)cc1OC 604519288 ZQMOVYDRSXRXSF-VGSWGCGISA-N 428.485 4.242 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 608911169 OJNZZMZPQUIGJQ-UHFFFAOYSA-N 441.246 4.031 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2c2ccccc2OC)cc1OC 609263583 YOENLTSZOJJXOE-SFHVURJKSA-N 444.484 4.005 5 20 IIBD CCOC(=O)c1ccnc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-] 609960372 PKNSRFXTESUWOL-UHFFFAOYSA-N 446.507 4.078 5 20 IIBD O=C(Nc1ccccc1OCC1CC1)c1ccc([N+](=O)[O-])cc1I 610122779 MKIIGQZPYFUHHT-UHFFFAOYSA-N 438.221 4.241 5 20 IIBD COc1ccc(CN(C)[C@H]2CCCc3c2cnn3C)cc1OCc1ccc([N+](=O)[O-])cc1 611276095 KGDQKBIKTPZMSM-NRFANRHFSA-N 436.512 4.425 5 20 IIBD Cc1[nH]ccc(=NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c1Cl 611909793 ZBUCWOLYLRLXAN-UHFFFAOYSA-N 426.647 4.118 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1CCO[C@H]([C@H]2CCCO2)C1 613400906 BBDYJHJDFNEEPO-MOPGFXCFSA-N 448.928 4.419 5 20 IIBD CC(C)(C)OC(=O)CCCCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 614863085 IUPAQBPRTWGRHZ-UHFFFAOYSA-N 430.451 4.201 5 20 IIBD CCOc1cc(NC(=O)[C@@H](NC(=O)c2cccc(C)c2)C(C)C)c([N+](=O)[O-])cc1OCC 619212844 YKKVSYVEHOYMFY-NRFANRHFSA-N 443.500 4.094 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1cc(Cl)c2c(c1)OCCCO2 653275263 QDWAJRZKJIJXTR-UHFFFAOYSA-N 448.906 4.286 5 20 IIBD CC[C@H](C)n1ncc2c(C(=O)O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)cc(C)nc21 725956970 GJDBFKNRNJZUKZ-ZFWWWQNUSA-N 439.472 4.111 5 20 IIBD CCOC(=O)c1oc2ccccc2c1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 726882331 SNBLHFKULMJCHC-UHFFFAOYSA-N 437.452 4.048 5 20 IIBD C[C@H](CN1CCOCC1)NC(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34 727756231 WIZQVVIQPGZGFG-GOSISDBHSA-N 428.532 4.384 5 20 IIBD CCN(Cc1cnn(C)c1)[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 728925667 LBNIIMPNMULGTL-HXUWFJFHSA-N 427.892 4.184 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)NC(=O)[C@H]2C[C@@H]2c2cccc3ccccc23)cc1[N+](=O)[O-] 730919499 NSZAQGCSPABMHX-MSOLQXFVSA-N 444.896 4.318 5 20 IIBD CCCC1=C(C(=O)OCC)[C@@H](c2csc(-c3cccc([N+](=O)[O-])c3)n2)NC(=O)N1C 733122384 ZXCWVNOMJCXRIW-QGZVFWFLSA-N 430.486 4.032 5 20 IIBD COC(=O)[C@H](OC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(Cl)c1 733825684 XZXWOYHRHNLBOT-QLJPJBMISA-N 428.224 4.126 5 20 IIBD O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1c[nH]cc1-c1ccc(Cl)s1 735344594 JHBCYIXGOZVAMR-UHFFFAOYSA-N 447.856 4.460 5 20 IIBD C[C@@H](C(=O)O[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccs1 738778218 AZNZQONVUAALRT-VXGBXAGGSA-N 431.495 4.454 5 20 IIBD COc1cc(N2CCC(OC(=O)CCOc3cccc(C)c3C)CC2)ccc1[N+](=O)[O-] 739383851 DBSUQSUZOANPPN-UHFFFAOYSA-N 428.485 4.201 5 20 IIBD Cc1csc(-c2cccc(C(=O)OCC3CCN(c4ncccc4[N+](=O)[O-])CC3)c2)n1 740543896 XNARRJVJROWREH-UHFFFAOYSA-N 438.509 4.495 5 20 IIBD CCC[C@@H](C)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2I)n[nH]1 743627853 JDLBHLNGGRKBOZ-SECBINFHSA-N 428.230 4.078 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3ccc(Cl)cc3OC)CC2)ccc1[N+](=O)[O-] 744203998 LVKBEHXGCKPTNQ-UHFFFAOYSA-N 434.876 4.481 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 746269926 BQYNIJWFKWBSAP-QAPCUYQASA-N 437.265 4.225 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1CSc1nnc(N2CCCCC2)n1C[C@H]1CCCO1 746388489 AFWJMEVGFWCILD-MRXNPFEDSA-N 437.953 4.301 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2cnn(Cc3ccccc3)c2)c(-c2cccs2)c1 746698614 GANVIIIOVPAFMR-UHFFFAOYSA-N 441.490 4.336 5 20 IIBD Cc1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(-c2nc(C3CC3)no2)c1 746743127 BEMMWNGCBFXAIR-UHFFFAOYSA-N 448.483 4.185 5 20 IIBD Cc1ccccc1-n1c(SC[C@@H](O)c2cccc([N+](=O)[O-])c2)nnc1-c1ccncc1 749640179 ONNKBMAVYPAZPJ-HXUWFJFHSA-N 433.493 4.372 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 750114252 FNOOLWRELHTMID-ZDUSSCGKSA-N 439.449 4.093 5 20 IIBD O=C(OCc1cn2cc(Cl)cc(Cl)c2n1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 750139819 BXUXGWKMOBQPDS-UHFFFAOYSA-N 432.223 4.092 5 20 IIBD O=C(Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1)c1cnc2n1CCCC2 750691385 OCLUNKGRNXALOL-UHFFFAOYSA-N 431.404 4.120 5 20 IIBD COc1ccc(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1OC1CCCC1 751268479 AKBKYJWOTMGVGW-UHFFFAOYSA-N 426.878 4.379 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N(CCc2ccccc2)Cc2ccncc2)cc1[N+](=O)[O-] 752248216 SBOSOKVGWKKTFC-UHFFFAOYSA-N 445.928 4.385 5 20 IIBD C[C@H]1C[C@@H](CCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CN1Cc1ccccc1 753715088 AHCKPJWSRKYKKC-PZJWPPBQSA-N 436.556 4.226 5 20 IIBD O=C(NCCOc1ccc2ccccc2c1)c1cc(F)cc([N+](=O)[O-])c1Br 754978882 VRXFSUFTEUNENG-UHFFFAOYSA-N 433.233 4.458 5 20 IIBD COc1ccccc1C(C)(C)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754993259 CERRGYCWMHDWOF-UHFFFAOYSA-N 425.254 4.213 5 20 IIBD O=C(N[C@H](c1ccccc1)C1CCOCC1)c1cc(F)cc([N+](=O)[O-])c1Br 755010417 CHAZKWLWOIWNKO-GOSISDBHSA-N 437.265 4.394 5 20 IIBD CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 755514154 DQCAAXXGFAOHKM-CQSZACIVSA-N 433.892 4.034 5 20 IIBD COc1ccc(C[C@H](C)C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)cc1 759762036 NXORENKJAKGPPS-INIZCTEOSA-N 438.484 4.269 5 20 IIBD C[C@@H](C(=O)OCC(=O)N[C@H](c1ccc(F)cc1)c1cccs1)c1cccc([N+](=O)[O-])c1 763419823 BVRZGLMIVAXZJA-SPLOXXLWSA-N 442.468 4.348 5 20 IIBD CC(C)c1ccc(-c2noc(COC(=O)c3cc([N+](=O)[O-])ccc3SCCO)n2)cc1 763743762 SQWRCCKXAWRTNZ-UHFFFAOYSA-N 443.481 4.210 5 20 IIBD Cc1nccn1-c1ncccc1CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 763982472 BTWJAXFJHIBZQG-UHFFFAOYSA-N 442.479 4.026 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CCC(C3OCCO3)CC2)cc1 769301804 FMQXRQDLXPVUEG-UHFFFAOYSA-N 434.496 4.032 5 20 IIBD COc1cc(/C=C(\C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c2ccccc2)ccc1O 769629233 RWURNXATCSAYKU-WQRHYEAKSA-N 444.447 4.042 5 20 IIBD C[C@H](C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1cn(C)c2ccccc12 772845089 ZJXSPGDWDJTKOY-LBPRGKRZSA-N 449.385 4.391 5 20 IIBD Cc1nn(C)c(C)c1[C@@H](OC(=O)c1sc(Br)cc1[N+](=O)[O-])C(F)(F)F 774145941 CYSRWZMMKKQRHQ-LLVKDONJSA-N 442.213 4.230 5 20 IIBD O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1Br 775209361 UOSCXNRBRVFEFS-UHFFFAOYSA-N 443.172 4.316 5 20 IIBD CC(=O)Nc1sc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 775282327 HABMAMLNICYCMB-UHFFFAOYSA-N 432.408 4.407 5 20 IIBD Cc1cc(F)cc(C(=O)NCc2cc(Br)ccc2Br)c1[N+](=O)[O-] 775428438 OLIKTAUJBCUNHP-UHFFFAOYSA-N 446.070 4.497 5 20 IIBD O=[N+]([O-])c1cc(CNC[C@@H]2COC3(CCOCC3)O2)ccc1Oc1ccccc1Cl 776957010 RMNYTMGDHPCDDB-MRXNPFEDSA-N 434.876 4.052 5 20 IIBD CN(C)C1CCN(c2ccc(NC3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2F)CC1 777674386 BUDVKNRFFQDIGZ-UHFFFAOYSA-N 441.551 4.345 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 778598722 VRMSEVYTQJBESV-WDEREUQCSA-N 448.398 4.261 5 20 IIBD COc1cc(CN2CCCC[C@@H]2[C@H](O)c2ccccc2)c([N+](=O)[O-])cc1OCC(F)F 779001668 ICUJPEFKOCGFAK-VGOFRKELSA-N 436.455 4.335 5 20 IIBD C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] 780884439 KRXMIDRWCCDBDP-ZBEGNZNMSA-N 431.297 4.052 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Oc2ccc3c(c2)NC(=O)CC3)cc1 781145520 MEAGIIMOGDRSKO-UHFFFAOYSA-N 434.404 4.500 5 20 IIBD C[C@H](OC(=O)[C@@H]1CCC(=O)[C@@H](C)C1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 781321816 YIASMICXMWUYGH-MDZLAQPJSA-N 444.406 4.125 5 20 IIBD O=C(OCc1cn(-c2ccc(F)c(Cl)c2)nn1)c1ccc2[nH]c3ccccc3c(=O)c2c1 781548073 XMOCUGCKCZDIAW-UHFFFAOYSA-N 448.841 4.412 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 782260017 SJAYXYWJJBIYTB-UHFFFAOYSA-N 437.364 4.334 5 20 IIBD O=C(c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CCCC2(CCCC2)C1 783843572 BDEXOAAUZYABTR-UHFFFAOYSA-N 444.509 4.159 5 20 IIBD O=C(Nc1ccc(NC(=O)c2cccs2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 783969637 ZVECOGLRERELES-UHFFFAOYSA-N 444.856 4.139 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Oc1ccccc1-c1nccs1 784435857 GBSCBFNIVWKKTD-UHFFFAOYSA-N 441.284 4.249 5 20 IIBD CNC(=O)c1ccc(COc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)cc1 786113377 DNCKPDUQEYJTOD-UHFFFAOYSA-N 430.416 4.307 5 20 IIBD Cc1nc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)sc1-c1ccccc1 790638985 JGAXRLQDVIDXML-UHFFFAOYSA-N 448.482 4.353 5 20 IIBD O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC(=O)c1nc(Br)ccc1F 791485109 WIXAVJOKTJUIIN-UHFFFAOYSA-N 444.216 4.375 5 20 IIBD COc1ccc([C@@H]2CCCN2C(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2O)cc1 798155386 LKZNPCIMYOUBOS-INIZCTEOSA-N 442.859 4.125 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OCc2cccc(-c3ccccn3)c2)ccc1[N+](=O)[O-] 800977250 XRPKNFVGNOOASF-HSZRJFAPSA-N 445.475 4.313 5 20 IIBD CC1(C)CN(Cc2ccccc2)CC[C@H]1NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 801584121 AZIOIRYQBUQRIF-HXUWFJFHSA-N 430.936 4.077 5 20 IIBD COc1cc(C(=O)O[C@H](C)CC2CCOCC2)c([N+](=O)[O-])cc1OCc1cscn1 803014376 BZXGKARWEYHIQP-CYBMUJFWSA-N 436.486 4.001 5 20 IIBD COc1cc(C)c(NC(=O)c2cc([N+](=O)[O-])ccc2I)c(C)c1C 805291793 DODNJBLLPUDVGQ-UHFFFAOYSA-N 440.237 4.386 5 20 IIBD O=C(N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 809186339 KSTGEHLWNVCMPO-MRXNPFEDSA-N 446.328 4.185 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1 810403416 QDDIMRDZDZRGGR-HUUCEWRRSA-N 446.301 4.138 5 20 IIBD CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 811373715 LBUZXWICMRJYRA-SNVBAGLBSA-N 425.224 4.288 5 20 IIBD C[C@@H](N[C@H](C)c1ccc(N2CCCOC2=O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 814249629 LYYCNRVIJVNSSX-ZIAGYGMSSA-N 446.891 4.273 5 20 IIBD COc1ccccc1[C@@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccco1 815028012 NYKWKCGBMOWPAX-GOSISDBHSA-N 440.836 4.057 5 20 IIBD CCOC(=O)c1cnn(-c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3Cl)c2)c1C 816862440 GHGKAXGWPUTUHH-UHFFFAOYSA-N 428.832 4.171 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)CC[C@@H]21 816999113 UELLQLDKUQIIHS-WBMJQRKESA-N 443.422 4.085 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N(Cc1ccccc1)Cc1ccccc1 867525270 OZOUDCMYJXZLJH-UHFFFAOYSA-N 431.492 4.274 5 20 IIBD Cc1sc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c(C(N)=O)c1-c1ccccc1 915149908 WBFMZRHXJZSRSA-UHFFFAOYSA-N 447.476 4.169 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccc(N(C)Cc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 918447358 DHTDWWHXPLJNMD-KRWDZBQOSA-N 432.480 4.047 5 20 IIBD CCOc1ccc(N(CC)C(=O)c2cc([N+](=O)[O-])ccc2I)cc1 918562150 QRBNKRANJXBOFZ-UHFFFAOYSA-N 440.237 4.265 5 20 IIBD CC(C)C(=O)Nc1nc(CC(=O)Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])cs1 920330735 MUIOPCWIVVYTQK-UHFFFAOYSA-N 425.466 4.461 5 20 IIBD CC(C)N(C(=O)[C@H](C)OC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)C(C)C 920547643 OYSOOPYBGPTWNR-IRXDYDNUSA-N 442.516 4.354 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Br)C1 1116651698 RFTMHWZSTMJSGU-QWHCGFSZSA-N 428.327 4.092 5 20 IIBD Cc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cs1 1319997214 QGXLKERZRVGNPF-UHFFFAOYSA-N 433.486 4.226 5 20 IIBD O=C1CC[C@@]2(c3nnc(COc4ccccc4[N+](=O)[O-])o3)Sc3ccc(Cl)cc3N12 1326513058 HATAEUFBZXFHHA-IBGZPJMESA-N 444.856 4.296 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@@H](c2nnc(-c3cc(F)ccc3Br)o2)C1 1345960961 RBBVZKBHTMCXQG-OAHLLOKOSA-N 433.193 4.412 5 20 IIBD C[C@H]1CCCN(C(=O)CCNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 1348852825 FLTLWILQYKWVLH-HNNXBMFYSA-N 445.903 4.419 5 20 IIBD COc1cc(CC(=O)NC2(c3ccc(NC(=O)/C=C/C4CC4)cc3)CCC2)ccc1[N+](=O)[O-] 1786158866 PYHOTUWAYKRDLU-WUXMJOGZSA-N 449.507 4.246 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@H]3CCc4ccoc4C3)cc2)CCC1)c1ccc([N+](=O)[O-])[nH]1 1786217736 HQWIGMCXQKSLNN-INIZCTEOSA-N 448.479 4.069 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]3F)cc2)CCC1 1786587021 CGAHJMYJDAIQSZ-WBVHZDCISA-N 429.423 4.148 5 20 IIBD CCc1cc(C(=O)Nc2ccc(C3(NC(=O)Cc4cccc([N+](=O)[O-])c4)CCC3)cc2)no1 1789843224 ROKMDFMDGXCMSV-UHFFFAOYSA-N 448.479 4.136 5 20 IIBD C[C@@H](C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1)c1ccccc1 1790188292 ARLLAJXOUHODFE-MRXNPFEDSA-N 432.480 4.474 5 20 IIBD Cc1c(C(=O)N2CCC3(CCCN(C(=O)C4(C)CC4)C3)CC2)cc(Cl)cc1[N+](=O)[O-] 1808899965 SSJDKMIYEXPUIR-UHFFFAOYSA-N 433.936 4.202 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])N1CCC2(CCCN(C(=O)C3CCCC3)C2)CC1 1808929029 QNAWJHRDIJSRPU-UHFFFAOYSA-N 445.585 4.108 5 20 IIBD Cc1ccc(CC(=O)N2CC3(CCCN3C(=O)c3cccc4ccccc34)C2)cc1[N+](=O)[O-] 1843623981 QKTHQEKDGQCBSK-UHFFFAOYSA-N 443.503 4.116 5 20 IIBD COc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 10733801 GBUYMQRNLDLGFE-CYBMUJFWSA-N 447.875 4.041 5 20 IIBD COc1ccccc1Nc1nc(N)nc(CSc2nc3ccc([N+](=O)[O-])cc3s2)n1 16616806 RURKJINKLBSCHA-UHFFFAOYSA-N 441.498 4.016 5 20 IIBD C[C@@H](OC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 19426181 XETUEEDQBDAWSB-GFCCVEGCSA-N 447.419 4.265 5 20 IIBD Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)Nc3ccccc3[N+](=O)[O-])cc12 20752306 NBKMWDATHMYKQI-UHFFFAOYSA-N 436.449 4.099 5 20 IIBD COc1ccccc1N(C(C)=O)c1nc(COC(=O)c2ccccc2[N+](=O)[O-])cs1 22017684 WEQJDFSPTAISHW-UHFFFAOYSA-N 427.438 4.102 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 22669226 TVQNOFWEKDTJAP-YFKPBYRVSA-N 438.692 4.128 5 20 IIBD C[C@H]1CCCN(Cc2csc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)n2)C1 26361296 OOQWOTPEHNUHOO-KRWDZBQOSA-N 446.576 4.482 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1cccc(C)c1 30784082 MJMLIVRZCYSZIF-UHFFFAOYSA-N 427.482 4.325 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1 32830743 UYWRBYAASRCPEU-UHFFFAOYSA-N 435.436 4.350 5 20 IIBD O=C(CSc1ccccc1C(=O)NCc1ccc([N+](=O)[O-])cc1)NCC1CCCCC1 59785941 CYLQVPJYPLKXRQ-UHFFFAOYSA-N 441.553 4.313 5 20 IIBD O=C1C[C@H](Nc2cccc(COCCc3ccccc3)c2)C(=O)N1c1cccc([N+](=O)[O-])c1 65012780 QTZMPRIQESJBJP-QHCPKHFHSA-N 445.475 4.098 5 20 IIBD O=C(NCc1ccc(Br)cc1Cl)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 109254347 MBTKXGSJDIIJFB-UHFFFAOYSA-N 435.665 4.126 5 20 IIBD C[C@@H](Cc1cccc(Br)c1)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 195677032 KKDQGSMEAFUIMN-AWEZNQCLSA-N 432.318 4.319 5 20 IIBD Cc1ncc(CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(F)c(F)c2)s1 195724936 LKZDCXLCIXNUJH-UHFFFAOYSA-N 425.438 4.033 5 20 IIBD C[C@@H](CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Oc1ccccc1Br 237388990 FBMMHBXYZWIJPG-AWEZNQCLSA-N 445.317 4.315 5 20 IIBD CCCNC(=O)c1cccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 302925135 CGPGPGYZVQLKMR-UHFFFAOYSA-N 441.431 4.484 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CCCCC[C@@H]1c1ccco1 303941812 YVAUCPZCKLAAEE-CYBMUJFWSA-N 429.292 4.256 5 20 IIBD Nc1nc(C2CCCC2)ncc1-c1noc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 426197659 VXMZUWSPSXEGJN-UHFFFAOYSA-N 435.469 4.465 5 20 IIBD O=C(Nc1cccc(OCC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1)c1ccco1 427602704 HJQJFUPNCKWIIU-UHFFFAOYSA-N 435.436 4.010 5 20 IIBD Cc1cc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])ncc1Br 427856213 MVVWHDWYBPQKTI-UHFFFAOYSA-N 434.168 4.254 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 430404349 RANBKXIYTAENGI-QGZVFWFLSA-N 425.485 4.244 5 20 IIBD Cc1cc(OCC(=O)NC2(c3cccc(C(F)(F)F)c3)CCOCC2)ccc1[N+](=O)[O-] 430817595 ULKIIUXDNXTNHZ-UHFFFAOYSA-N 438.402 4.123 5 20 IIBD COC[C@@H](Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])c1ccc(C)o1 433800603 WCRMYYDWTALZED-GOSISDBHSA-N 431.470 4.097 5 20 IIBD Cc1cc(C)n2nc(CC(=O)Nc3cc([N+](=O)[O-])ccc3Sc3cccs3)nc2n1 435444929 UDHPTJMUVOBVKB-UHFFFAOYSA-N 440.510 4.043 5 20 IIBD COc1cccc(C(=O)NCc2ccc(-n3nc(C)cc3C)cc2C(F)(F)F)c1[N+](=O)[O-] 435511265 MMKCUJACBGBVEQ-UHFFFAOYSA-N 448.401 4.355 5 20 IIBD O=c1c(Cl)c(NC[C@H]2CCCN2C2CCCCC2)cnn1-c1ccc([N+](=O)[O-])cc1 435586750 YPWSPUMRLPXIMH-GOSISDBHSA-N 431.924 4.003 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1ncc(Cc2ccccc2Cl)s1 436107488 RKPOPNGHOXRUGF-UHFFFAOYSA-N 442.888 4.494 5 20 IIBD O=C(Nc1cccc(F)c1)C1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 437258274 KWTDCTOZKBYCSL-UHFFFAOYSA-N 439.365 4.244 5 20 IIBD C[C@@H]1CCCN(Cc2csc(NC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)n2)C1 437559824 RHHPBHDTTBTXEW-OAHLLOKOSA-N 429.546 4.480 5 20 IIBD O=C1[C@@H](c2nc(Cc3ccccc3[N+](=O)[O-])no2)CCN1c1cc(Cl)ccc1Cl 438245187 HNSQUEKZQKYXDI-CYBMUJFWSA-N 433.251 4.396 5 20 IIBD CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])CC2 442717023 RQTSRJPKVXOLFT-LEWJYISDSA-N 442.537 4.138 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(-c3nc([C@H]4CN5CCCC[C@@H]5CO4)no3)cc2[N+](=O)[O-])C1 445817612 GPYFDMMXXOUREJ-VWFIUDSGSA-N 441.532 4.053 5 20 IIBD CC(C)CC(=O)Nc1cccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1 446021556 SRKVASAJDQYVEK-UHFFFAOYSA-N 448.317 4.201 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N(C[C@@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F 446111402 JJRXGSCLXIILFB-HXUWFJFHSA-N 449.473 4.440 5 20 IIBD CCS(=O)(=O)C1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 446844088 RGUJLZDOAFVPMZ-UHFFFAOYSA-N 438.933 4.440 5 20 IIBD C[C@H]1C[C@@H](c2ccc(F)cc2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 447023501 NHQHTOKJXUTVGE-WCQYABFASA-N 443.294 4.063 5 20 IIBD CCOc1cc(C(=O)N[C@@H]2CCCC[C@H]2Oc2ccccc2C)c([N+](=O)[O-])cc1OC 448182426 XUXHTBAJBHYYPW-YLJYHZDGSA-N 428.485 4.431 5 20 IIBD Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cc(F)c(OC(F)F)cc1-n1cncn1 448486504 WBYOYMFCIWMRLE-UHFFFAOYSA-N 441.753 4.130 5 20 IIBD CC[C@H](c1ccccc1)c1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 461705381 SFBIJDRLJFQSOP-NZQKXSOJSA-N 449.555 4.444 5 20 IIBD Cc1cc(Br)c(S(=O)(=O)NCCCCc2ccc([N+](=O)[O-])cc2)s1 462358907 RAOFNSOZBFMMAG-UHFFFAOYSA-N 433.349 4.028 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1CN1C[C@H](C)O[C@H](C)C1 462430593 HVSOEDBOCRQNFM-NSHGMRRFSA-N 425.529 4.411 5 20 IIBD CCc1nc2ccc(Cl)cn2c1-c1nc(Cc2cc(OC)cc(OC)c2[N+](=O)[O-])no1 463048179 LAPVXLZMMYRVHK-UHFFFAOYSA-N 443.847 4.116 5 20 IIBD O=C(c1cccc(F)c1Cl)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 463466353 JUFPTMNNGOVRCW-UHFFFAOYSA-N 431.773 4.369 5 20 IIBD CC(C)Cn1cc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cn1 464374973 MQQGQBDAXMELOJ-UHFFFAOYSA-N 439.438 4.321 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2nnc(C(C)C)s2)cc1 464732205 DPSJLWORPIEULK-UHFFFAOYSA-N 428.470 4.301 5 20 IIBD CCOc1c(Cl)cc(NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 466316525 GOLDSCGHHQMHCD-SNVBAGLBSA-N 426.256 4.057 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NC[C@@]3(C)CCO[C@H]3C3CC3)cc2[N+](=O)[O-])n1 466843643 FRTFMERMDBQMJF-FXAWDEMLSA-N 433.555 4.446 5 20 IIBD CCC[C@@H](NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])c1nn[nH]n1 467756696 HOYYEIVJSSTKDF-CQSZACIVSA-N 432.893 4.184 5 20 IIBD Cn1nc([C@@H]2CCCOC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 468620645 OXFWMDZHTWBDMR-QGZVFWFLSA-N 435.484 4.087 5 20 IIBD CCS(=O)(=O)c1ccc(N2CCC(NC/C(C)=C\c3cccc([N+](=O)[O-])c3)CC2)cc1 468645112 KIUZLKQKWQLACZ-SDXDJHTJSA-N 443.569 4.050 5 20 IIBD CC(C)c1ccc([C@@H]2CCCN2C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)cc1 469689297 FHVHAUZQUZFQSD-IBGZPJMESA-N 435.480 4.349 5 20 IIBD C[C@@H](CCNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 470013531 PFCMEPMCHHRSIY-UONOGXRCSA-N 437.418 4.042 5 20 IIBD C[C@@H](Cc1ccccc1Br)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 470743258 CEIYQRBBPCGYBE-JTQLQIEISA-N 442.107 4.481 5 20 IIBD Cc1cc(-c2cc(C(=O)N3CC(Oc4ccc([N+](=O)[O-])cc4)C3)c3c(C)noc3n2)c(C)o1 470896045 BVGAMXAPAMRMFY-UHFFFAOYSA-N 448.435 4.220 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 472928028 NGVOWKBCKCPXNY-UHFFFAOYSA-N 439.295 4.488 5 20 IIBD CC[C@@H](C)Sc1ccc(NC(=O)C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)c(C)c1 473250025 OTWVUJZDWJXPMB-CQSZACIVSA-N 431.514 4.057 5 20 IIBD Cc1nn(C)cc1CNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 478251862 MLYZBYVXMYQXLE-BOPFTXTBSA-N 447.520 4.494 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1OC)N1CCCC1 478953372 ALAKHWOMBCXVKJ-IBGZPJMESA-N 429.542 4.282 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 479211603 FSVABOVSWSCUIX-MRXNPFEDSA-N 442.686 4.019 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCCOc2cccc(C(F)(F)F)c2)cc1SC 482956732 KAYYISOMDMUJGJ-UHFFFAOYSA-N 430.404 4.153 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(c2ccc(OC)cc2)CCOCC1 484295545 ZABQLMULYRPEML-UHFFFAOYSA-N 430.526 4.194 5 20 IIBD Cc1ccccc1[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)C1CC1 485658987 VXHVJJGFWNYLLG-QGZVFWFLSA-N 436.249 4.389 5 20 IIBD COc1ccc(OC)c(CCNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 485743310 QPTJJMXUSURCDJ-UHFFFAOYSA-N 436.464 4.164 5 20 IIBD O=C(N[C@H]1CCC[C@@H]1OCc1ccccc1)c1sc(Br)cc1[N+](=O)[O-] 486356133 IGTIOCBWXHXPRL-JSGCOSHPSA-N 425.304 4.287 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC1(c2cccc(C(F)(F)F)c2)CCOCC1 486907941 XNJYXNFQLKGMAB-UHFFFAOYSA-N 447.413 4.390 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(Sc2nc3c([nH]2)CCC3)c([N+](=O)[O-])c1 488754190 UCWNRXDSMJTRLA-UHFFFAOYSA-N 444.538 4.173 5 20 IIBD O=C(Nc1ccn(-c2ncccc2C(F)(F)F)n1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 489337648 MEGQPDNBHNSAQK-UHFFFAOYSA-N 446.389 4.047 5 20 IIBD C[C@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(N2CCCS2(=O)=O)c1 494516821 WEHHXYUATKUSLE-ZDUSSCGKSA-N 443.447 4.004 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)Nc2ccc(-c3ncco3)cc2)cc1[N+](=O)[O-] 499267975 RAVNQQXPJVIEIU-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD O=C(Nc1cccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1)c1ccoc1 499607753 YUEIJIUOPZOCOX-UHFFFAOYSA-N 434.452 4.295 5 20 IIBD COc1cc(C(=O)N[C@H](c2cccc(F)c2)c2ccccn2)c([N+](=O)[O-])cc1OC(F)F 500111627 KCLWGXXLWSYMQS-LJQANCHMSA-N 447.369 4.258 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(Oc3ccc(C)c(C)c3)CC2)cc1OC 501670459 YKQRPRVQCIPIQR-UHFFFAOYSA-N 428.485 4.303 5 20 IIBD CCc1ccc([C@@H](NCC(=O)N[C@H]2CCOc3ccccc32)c2ccc([N+](=O)[O-])cc2)o1 503921581 WHOZKKZZPXBUIJ-RDPSFJRHSA-N 435.480 4.069 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CCC[C@H](Oc3ccccc3Cl)C2)cc([N+](=O)[O-])c1 504678404 UFIJOHGURDLNRO-KRWDZBQOSA-N 432.860 4.109 5 20 IIBD CC(=O)Nc1ccc(CCNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 504805814 LMYBQRGQOWQSHQ-MRXNPFEDSA-N 447.495 4.094 5 20 IIBD O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)c1ccn(-c2ccccc2[N+](=O)[O-])n1 505439392 GSLLJZIKQRVZOZ-INIZCTEOSA-N 426.301 4.092 5 20 IIBD COc1c(Cl)cc(NC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cc1Cl 506308629 XQJIKHAEDPELBC-UHFFFAOYSA-N 449.250 4.017 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)cc1[N+](=O)[O-] 510529852 RUWVXJXUBZPZBA-CQSZACIVSA-N 448.317 4.311 5 20 IIBD C[C@H](Nc1ccc(C(=O)N(C)Cc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-])c1ccccn1 517535157 YQYZRALQDGIHRE-INIZCTEOSA-N 448.479 4.206 5 20 IIBD CCOCCOc1c(Cl)cccc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 519876318 SWGNFZCDBPGMJV-UHFFFAOYSA-N 435.285 4.118 5 20 IIBD O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 520491987 KRXNMESTGOPDOC-FQEVSTJZSA-N 425.485 4.008 5 20 IIBD CC(C)Cn1ccc2cc(NC(=O)CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])ccc21 521727287 PQIOUYFPVQHKEP-UHFFFAOYSA-N 428.876 4.227 5 20 IIBD C[C@H](Sc1ccc(Br)cc1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 521868394 QPNPFLNCWUOBSM-LBPRGKRZSA-N 425.304 4.033 5 20 IIBD CCc1nc(C)c([C@H](C)N(C)C(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])s1 525563141 YUVROLUOOJTFCW-JTQLQIEISA-N 429.445 4.365 5 20 IIBD COc1cc(C(=O)NCCSCc2cccc3ccccc23)cc([N+](=O)[O-])c1OC 525583569 GKNPVMCUGUIRSK-UHFFFAOYSA-N 426.494 4.428 5 20 IIBD COC(=O)COc1ccc(CN2CCC[C@H](c3nc4ccccc4s3)C2)cc1[N+](=O)[O-] 530447273 FCMJKWUZOUBISH-INIZCTEOSA-N 441.509 4.136 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 531989045 BJSUZOCVVPWIKS-UHFFFAOYSA-N 449.492 4.186 5 20 IIBD C[C@@H](Cc1cc(Br)ccc1F)NC(=O)CCOc1ccccc1[N+](=O)[O-] 533688601 XONQMXSBYHKRFA-LBPRGKRZSA-N 425.254 4.013 5 20 IIBD CCN(CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCSc2ccc(Br)cc21 534868404 BFJBTBNSQBHGPD-INIZCTEOSA-N 438.347 4.078 5 20 IIBD COc1ccc(CC(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)cc1[N+](=O)[O-] 535058139 DCBYXJAALFOHOV-IBGZPJMESA-N 425.872 4.295 5 20 IIBD CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](CN1CCN(C)CC1)c1ccccc1 535063588 ANWIGXFZPGRMQZ-SFTDATJTSA-N 428.602 4.044 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Oc2ccc(OC)cc2)CC1 535714636 KXPNNLFJGHDZSO-UHFFFAOYSA-N 446.525 4.026 5 20 IIBD Cc1c(CC(=O)Nc2ccnn2Cc2ccc(OC(F)(F)F)cc2)cccc1[N+](=O)[O-] 536252214 BYWKGRDGFZWKAL-UHFFFAOYSA-N 434.374 4.228 5 20 IIBD CN(C[C@H]1COc2ccccc2O1)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 536523100 ZQILPSASYUSTHE-IBGZPJMESA-N 433.464 4.119 5 20 IIBD CCOc1cc(NC(=O)c2cnn(-c3ccccc3OC)c2C)c([N+](=O)[O-])cc1OCC 537307999 SSWROSXOGDGNLC-UHFFFAOYSA-N 440.456 4.147 5 20 IIBD CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc([N+](=O)[O-])cc1Cl 539695288 PDWNWEPYNCPJSH-UFRUDQCGSA-N 441.915 4.085 5 20 IIBD COc1ccc(CNC(=O)Nc2ccc(Cl)cc2C(=O)c2ccc[nH]2)cc1[N+](=O)[O-] 540525446 NNRZXOMBUSADDE-UHFFFAOYSA-N 428.832 4.138 5 20 IIBD Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NCCn1ccc([N+](=O)[O-])n1 542575266 ASVJCYVQCXZYHX-NSHDSACASA-N 436.335 4.337 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 542986007 NDGOXYSNIQHWHK-DOMZBBRYSA-N 436.394 4.258 5 20 IIBD Cc1nnc(NC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)n1C 544322740 OIVTYHBQNCUDRU-UHFFFAOYSA-N 426.483 4.045 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(-c3ncn(C)n3)cc2)cc1 545844633 OKJAPXQGUFNTCE-UHFFFAOYSA-N 445.435 4.444 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccccc2N2CCOCC2)no1 546322351 FIVQUTWFSUZOIW-CYBMUJFWSA-N 430.848 4.275 5 20 IIBD COc1cc(-c2noc(-c3ccc([N+](=O)[O-])cc3I)n2)ccc1F 546409439 MEMVBNGEFMYTRE-UHFFFAOYSA-N 441.156 4.064 5 20 IIBD Cc1cc(Cc2noc([C@@H](C)SCC(=O)Nc3ccc(F)cc3)n2)ccc1[N+](=O)[O-] 546488609 IVZDLIOKBIBNBS-CYBMUJFWSA-N 430.461 4.449 5 20 IIBD O=C(Nc1cnn(-c2ccccc2)c1C(F)(F)F)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 547245608 OLXLCXAXAFAHLT-UHFFFAOYSA-N 442.357 4.237 5 20 IIBD O=C(Cc1cccc(F)c1)N1CCCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 549466510 NNMIRUMUNAFCDF-UHFFFAOYSA-N 439.409 4.030 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1C[C@]12CCc1cc(Br)ccc12 552272019 BSIVEHZTFQFWMH-NQIIRXRSSA-N 429.314 4.262 5 20 IIBD CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 552497268 BUVKFLKHKNQHEI-SFHVURJKSA-N 432.885 4.469 5 20 IIBD CCCN(C)[C@@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1 553577541 GRNDWOUQIZDFJZ-HNNXBMFYSA-N 431.967 4.208 5 20 IIBD Cc1cc2cc(NC(=O)c3ccc(N4CCC[C@H](C)C4)c([N+](=O)[O-])c3)ccc2n(C)c1=O 553579573 MLIWLAFRUASRFW-HNNXBMFYSA-N 434.496 4.244 5 20 IIBD COC(=O)c1cc(C(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)cc([N+](=O)[O-])c1 556482544 NZLXTLXOOLEBPF-UHFFFAOYSA-N 431.857 4.088 5 20 IIBD COc1ccc([C@@H](Cc2ccccc2)NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])cc1 558479720 PTALBXKXDDERLO-JOCHJYFZSA-N 440.521 4.049 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C(C)C)[C@@H]2c2ccc(F)c(F)c2)c1 558869173 ZLMSLHXKONDRCC-PZJWPPBQSA-N 433.455 4.226 5 20 IIBD COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F 559144791 VNGULQZCGCIOGK-INIZCTEOSA-N 436.308 4.377 5 20 IIBD CC(C)c1ccc(C(=O)N2CCC[C@H](NC(=O)CCCc3ccccc3)C2)cc1[N+](=O)[O-] 560968154 NVDVPJOGHFOZOI-NRFANRHFSA-N 437.540 4.462 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(Sc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)n1 561113883 XVIOKJUEZGMEIJ-UHFFFAOYSA-N 427.486 4.021 5 20 IIBD CC1CCN(c2ccc(C(=O)N3C[C@H](c4ccccc4)[C@H]4COCC[C@H]43)cc2[N+](=O)[O-])CC1 561189341 GKHZOQLYJPVPPR-DNVJHFABSA-N 449.551 4.476 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(CC(=O)N[C@@H](C)c2ccc(OC)cc2)no1 565329489 FRXDSALOIUNTPP-RDJZCZTQSA-N 438.484 4.143 5 20 IIBD CC(C)[C@H](CNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1 566351477 LGQMHGIDMPOLJC-SFHVURJKSA-N 445.903 4.492 5 20 IIBD CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 570857616 LUJBUSKOZBUENK-MRXNPFEDSA-N 425.489 4.033 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(-c2nc(-c3ccc(OC[C@H]4CCCO4)c(OC)c3)no2)c1 574317165 LQAGQTXDXUKSPO-MRXNPFEDSA-N 441.440 4.277 5 20 IIBD COc1cc(Cc2noc([C@@H]3CCCN3Cc3ccc(F)cc3)n2)c([N+](=O)[O-])c(OC)c1 575472560 FEQNOXSBQDECGA-SFHVURJKSA-N 442.447 4.062 5 20 IIBD C[C@H](C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1)c1cccc([N+](=O)[O-])c1 577915339 AWGZKJVTNZQVLB-HNNXBMFYSA-N 446.345 4.242 5 20 IIBD O=C(NC[C@@]1(CO)C[C@@H]1c1ccccc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 578750820 XETKWNOQHAUJIZ-PXDATVDWSA-N 431.492 4.103 5 20 IIBD COc1cc([C@H](C)NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)ccc1OCC(C)C 583236317 JKGVZZOUGUVGAG-INIZCTEOSA-N 443.500 4.303 5 20 IIBD CCOc1cc(NC(=O)NCCCn2c(C)nc3ccccc32)c([N+](=O)[O-])cc1OCC 603682909 FSRQMNIVHDCMAJ-UHFFFAOYSA-N 441.488 4.262 5 20 IIBD CNc1ccc(C(=O)NCC2(c3ccc(Cl)cc3Cl)CCOCC2)cc1[N+](=O)[O-] 604333906 WBDONADWHLRZNL-UHFFFAOYSA-N 438.311 4.422 5 20 IIBD O=C(Nc1cc(-c2cccc(Cl)c2)[nH]n1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 604522015 FKJGXGCRUPPNMW-UHFFFAOYSA-N 425.876 4.493 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(Cc1ccc(F)cc1)C1CCCCC1 609154376 JLFJJOYQOIYTBD-MRXNPFEDSA-N 427.476 4.214 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(C(F)(F)C(F)(F)F)cc1 609228208 JGGQGFFTEIICQI-UHFFFAOYSA-N 431.317 4.008 5 20 IIBD COc1ccc(CSCc2nnnn2-c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] 609238358 ULQZERBIVYCBMG-UHFFFAOYSA-N 425.392 4.031 5 20 IIBD O=C1[C@@H](Sc2nnc(-c3ccccc3F)n2C2CC2)CCN1c1cccc([N+](=O)[O-])c1 609449847 PFZAWKLGWXKBCU-SFHVURJKSA-N 439.472 4.225 5 20 IIBD COc1ccc(CCN(CC(C)C)C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1OC 609651878 UFNIXAPNKLNWHS-UHFFFAOYSA-N 439.512 4.294 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([C@H](C)N2CCOCC2)cc1 609811157 QYXJKPDXKFNUQY-SFHVURJKSA-N 426.517 4.431 5 20 IIBD O=C(COc1cc(Cl)c(Cl)cc1Cl)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 609851759 QVDLWVQKXYFWCU-JTQLQIEISA-N 445.690 4.042 5 20 IIBD Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1Br 610042249 AECVXOMGRPACOL-UHFFFAOYSA-N 434.290 4.304 5 20 IIBD COc1cc(C(=O)NC(C)(C)Cc2ccc(Br)cc2)cc([N+](=O)[O-])c1OC 610174679 XAEANTWYLNAUDZ-UHFFFAOYSA-N 437.290 4.126 5 20 IIBD COc1cc(C(=O)N(CCC(=O)O)CC2CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 610844309 HAUHMLYDFYWSFP-UHFFFAOYSA-N 448.859 4.376 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)c(C)c([N+](=O)[O-])c1 617015780 YXCHUHLELNAGIW-AWEZNQCLSA-N 438.440 4.243 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)ccc1[N+](=O)[O-] 619450534 WLNSQQKXAGKKBJ-UHFFFAOYSA-N 428.876 4.091 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Nc1ccc(CC[C@@H](O)c2ccccc2)cc1 727360227 HSOGDOYLPVLHFT-HXUWFJFHSA-N 430.457 4.201 5 20 IIBD Cn1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)c2ccccc21 727399423 RWICTXJJHXFCCV-UHFFFAOYSA-N 432.402 4.068 5 20 IIBD Cc1c(C(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 728005702 DUVWDXNWULUIRU-UHFFFAOYSA-N 425.441 4.331 5 20 IIBD CSc1ccc(C(=O)Oc2ccc(-c3noc([C@H]4CCCO4)n3)cc2)cc1[N+](=O)[O-] 729115164 SRELDUVZHOATMN-MRXNPFEDSA-N 427.438 4.437 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 731054513 FSVBSFXZRCHWSV-ZUOKHONESA-N 436.867 4.127 5 20 IIBD CCc1ccc(C(=O)Nc2sccc2C(=O)NCCOc2ccc([N+](=O)[O-])cc2)cc1 731651466 OQOWVOKJMSQYEZ-UHFFFAOYSA-N 439.493 4.280 5 20 IIBD O=C(CN(Cc1cccnc1)C(=O)c1cc(F)ccc1[N+](=O)[O-])Nc1ccc(Cl)cc1 732769490 IYFSDKDMAGRZTE-UHFFFAOYSA-N 442.834 4.063 5 20 IIBD CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 733107390 OKJRWGMUZLSKNC-UHFFFAOYSA-N 429.826 4.471 5 20 IIBD CC[C@H](C)N1C(=O)N[C@@H](c2csc(-c3cccc([N+](=O)[O-])c3)n2)C(C(=O)OC)=C1C 733122319 XRIPGAAQBDPEHU-GTNSWQLSSA-N 430.486 4.030 5 20 IIBD CCc1cc(N(Cc2ccc(C(=O)NC)cc2)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 733186076 QQLTWNHRJNHEGF-UHFFFAOYSA-N 431.496 4.143 5 20 IIBD C[C@@](CO)(NCc1ccc(Br)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 734844857 BLCDKORVVNPDLI-INIZCTEOSA-N 433.224 4.373 5 20 IIBD Cc1ccc2c(Cl)c(C(=O)OCCNc3ccc(C(N)=O)cc3[N+](=O)[O-])sc2c1 735897726 YUIIAMSMVLUZDV-UHFFFAOYSA-N 433.873 4.139 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccccc2OC(F)(F)F)c(Br)c1 738403993 SPSAMNHJFFQSAF-UHFFFAOYSA-N 442.165 4.024 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@H](C)Oc3ccccc3Cl)CC2)ccc1[N+](=O)[O-] 739371132 RBSNCWLXGMWKJN-AWEZNQCLSA-N 434.876 4.236 5 20 IIBD COc1cc(N2CCC(OC(=O)c3cc(Br)cs3)CC2)ccc1[N+](=O)[O-] 739382525 YUHQJSJKZXUXMK-UHFFFAOYSA-N 441.303 4.253 5 20 IIBD CCN1CCCC[C@@H]1C(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 741147954 MRVVMTDEKFPPDN-UXHICEINSA-N 445.903 4.346 5 20 IIBD C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 742615934 ZBMGWMKTTCOGFR-QWHCGFSZSA-N 445.438 4.379 5 20 IIBD Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 744554484 PVXFILFNCMQPHP-QZTJIDSGSA-N 439.512 4.316 5 20 IIBD CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 747321912 VKBSUEOFTFGYLI-UHFFFAOYSA-N 433.427 4.237 5 20 IIBD O=C(Nc1cc(C(F)(F)F)no1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 748351711 BSIXFOMNRQJUBM-UHFFFAOYSA-N 436.133 4.346 5 20 IIBD Cc1c(C(=O)NCc2ccc(COCC(F)(F)F)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748623219 CDPFHCBGKXAEPW-UHFFFAOYSA-N 441.362 4.129 5 20 IIBD Cc1ccc(C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)cc1I 751660956 UWOVAQSCGVGNFG-UHFFFAOYSA-N 438.177 4.006 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)c(O)c1 751668057 NRMGPQHRQVWMSM-UHFFFAOYSA-N 429.385 4.146 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)c1Br 754028029 RAYSHKDYHXCDII-UHFFFAOYSA-N 443.342 4.144 5 20 IIBD C[C@H](C(=O)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1F 754420381 MNKMXBBLWZFLQS-RNODOKPDSA-N 425.372 4.473 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)CCC(=O)c1cc(Cl)sc1Cl 756612514 UEASWGZLKYMNCK-UHFFFAOYSA-N 445.280 4.416 5 20 IIBD O=C(COC(=O)c1ccc(F)cc1[N+](=O)[O-])N[C@@H](c1ccccc1)c1cccc(Cl)c1 758114552 NRDIZCXKZUMBTD-NRFANRHFSA-N 442.830 4.450 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1COc2ccc(Br)cc21 758164102 DDJAUSAAUDSIJP-AWEZNQCLSA-N 425.666 4.145 5 20 IIBD C[C@@H]1CC(=O)CC[C@@H]1C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 760552712 BHUATXJIBSLMIA-ASUYLVSUSA-N 444.871 4.477 5 20 IIBD CN1CC[C@@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 762724853 DAECMXZSUXNWGC-YVEFUNNKSA-N 426.275 4.464 5 20 IIBD Cc1sc(Cl)nc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 763306411 ROWXAUCZKOQBSP-ZCFIWIBFSA-N 437.783 4.216 5 20 IIBD C[C@H](NC(=O)COC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(Br)cc1 763723304 HDKUJBCAFIWGTL-JTQLQIEISA-N 441.665 4.045 5 20 IIBD Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)O[C@H]2CCCN(C(C)C)C2=O)n1 764489849 VPEJBWUEKLDSER-HNNXBMFYSA-N 435.527 4.067 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(CN(C)C(=O)C(F)(F)F)c1 764982352 PBYZEPVLTJWSJQ-INIZCTEOSA-N 437.418 4.323 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 765033863 RIMIZWPZADWSSL-QXAKKESOSA-N 433.549 4.315 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 765193134 GMVCIVBGFHDLQS-XLIONFOSSA-N 448.516 4.201 5 20 IIBD CN(C(=O)c1cc(I)cc([N+](=O)[O-])c1)c1nc2ccccc2s1 766316140 AQZJLVJMECNQHG-UHFFFAOYSA-N 439.234 4.086 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 767959523 DEKHDFGAAQZDPL-MRXNPFEDSA-N 443.525 4.485 5 20 IIBD O=[N+]([O-])c1cc(NS(=O)(=O)c2c(Cl)cc(F)cc2Br)ccc1F 768037644 YRPWYFMMOCBJHH-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(Br)cc([N+](=O)[O-])c1 770159163 PQRWWUXUAXUAAV-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD O=C(O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1cncc(-c2ccc3c(c2)CCO3)c1 770624090 VVWGRJCQFNRFQE-FPOVZHCZSA-N 434.452 4.129 5 20 IIBD C[C@H]1C[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCN1C(=O)OC(C)(C)C 773810236 VGRFQSLRFHHLMZ-RDJZCZTQSA-N 435.524 4.199 5 20 IIBD COc1c([N+](=O)[O-])cc(N[C@H](C)COc2ccccc2)c([N+](=O)[O-])c1Br 774526728 RWPOJLBWRHVOIU-SNVBAGLBSA-N 426.223 4.154 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1OS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 777909109 RNPKGTNTRPVRTO-NSHDSACASA-N 448.280 4.085 5 20 IIBD CC(C)(C)OC(=O)N1CCCc2c(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)cccc21 778357688 OGILQXZGHORYJP-UHFFFAOYSA-N 440.452 4.322 5 20 IIBD CC1CCN(CCc2cccc(NC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)CC1 781716291 VCDAHRDJCKLMTP-UHFFFAOYSA-N 440.500 4.349 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 783849298 JPXSSBRAAHKAHU-IAGOWNOFSA-N 435.524 4.247 5 20 IIBD COc1cc(C(=O)OCc2ccc(F)cc2C)c([N+](=O)[O-])cc1OCc1cscn1 784269087 PBSABRSXBIYWMR-UHFFFAOYSA-N 432.429 4.443 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CCN(C(=O)c2cc3ccccc3s2)CC1 788597973 YTFOVVOFVNXXMT-UHFFFAOYSA-N 444.900 4.453 5 20 IIBD Cc1c(CNC(=O)NC[C@@H](O)c2cccc(OCc3ccccc3)c2)cccc1[N+](=O)[O-] 790564341 KWPMQYOBWXVPDZ-HSZRJFAPSA-N 435.480 4.015 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2c(F)cc(Cl)cc2Cl)c(C)c1[N+](=O)[O-] 790638154 IFJFDGRBWHHHDS-UHFFFAOYSA-N 438.220 4.367 5 20 IIBD Cc1ccc(-c2nc(-n3cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c3)nc3sc4c(c23)CCC4)cc1 790771466 GIUFJLMWWLFGLE-UHFFFAOYSA-N 449.448 4.123 5 20 IIBD O=C(c1cc(C2CC2)cnc1Cl)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791175167 WHDQICNWVVLMAD-UHFFFAOYSA-N 436.693 4.482 5 20 IIBD CCCN(C(=O)Cn1c(-c2ccc(F)cc2)c(C)sc1=O)c1cccc([N+](=O)[O-])c1 799411112 ITWSEHMZRFYTNL-UHFFFAOYSA-N 429.473 4.376 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccc(-c2csc(C)n2)cc1 799518241 HEOUVZAKISSOJC-GFCCVEGCSA-N 441.465 4.219 5 20 IIBD CC(C)(C)c1cnc(CCC(=O)Oc2cc([N+](=O)[O-])ccc2I)o1 800949413 HEUQBIJOLKYTFX-UHFFFAOYSA-N 444.225 4.023 5 20 IIBD Cc1ccc(CNC(=O)Cc2noc(-c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)n2)cc1 809474995 GXGBQYZYORWDES-UHFFFAOYSA-N 449.511 4.048 5 20 IIBD O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)Nc1cccc([N+](=O)[O-])c1Cl 809914265 CMPDWBOWFPBFQJ-QGZVFWFLSA-N 439.299 4.097 5 20 IIBD C[C@@H](OC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 823081168 FRNBFCSFNTWWCH-OAHLLOKOSA-N 426.450 4.314 5 20 IIBD CC(C)S(=O)(=O)Cc1cccc(NCc2c(Br)cccc2[N+](=O)[O-])c1 864028571 SYLVGEKPWHBJCO-UHFFFAOYSA-N 427.320 4.293 5 20 IIBD CCOc1cc(-c2nc([C@H]3CCCN3C(=O)OC(C)(C)C)no2)c([N+](=O)[O-])cc1OC 904705796 MQLFCEIZXBJBQV-CYBMUJFWSA-N 434.449 4.124 5 20 IIBD Cn1cc(-c2noc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)n2)nn1 904812646 FFUDGFHQKBZDJW-UHFFFAOYSA-N 437.466 4.201 5 20 IIBD COc1cccc(-c2nc(/C=C3/N=C(c4ccc(OC)c([N+](=O)[O-])c4)OC3=O)cs2)c1 912754711 RYKWWWMNBICKHN-MHWRWJLKSA-N 437.433 4.080 5 20 IIBD Cc1ccc(C)c(Oc2ccc(CNC(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)cn2)c1 915615236 SEVFBWOITGLJJH-UHFFFAOYSA-N 431.452 4.065 5 20 IIBD CCC[C@]1(c2ccccc2)NC(=O)N(Cc2c(Br)cccc2[N+](=O)[O-])C1=O 915661235 QAHKOCBILFDLMQ-LJQANCHMSA-N 432.274 4.105 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 916055727 MOKPYRVVHNVWFY-UFUQCMIWSA-N 447.413 4.107 5 20 IIBD COc1c([N+](=O)[O-])cc(NCc2ccc(OC(C)C)nc2)c([N+](=O)[O-])c1Br 917077954 TVEZGNYJTOOLBU-UHFFFAOYSA-N 441.238 4.068 5 20 IIBD O=C(OCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 917659276 SHCPYIMCIYSTNQ-UHFFFAOYSA-N 428.832 4.255 5 20 IIBD Cc1cc(-c2noc([C@@H](C)OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)ccc1F 919227199 IWFUKKUDIRSBSE-LLVKDONJSA-N 430.348 4.227 5 20 IIBD COc1ccc2cc(CN(C)C(=O)[C@H](C)OC(=O)c3csc([N+](=O)[O-])c3)ccc2c1 919371338 KUYXRNZLXSWNTE-ZDUSSCGKSA-N 428.466 4.022 5 20 IIBD CC(C)(C)c1ccc(N2CCC(NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)CC2)cc1 919767349 AIIZDAYARODVDU-UHFFFAOYSA-N 447.539 4.477 5 20 IIBD COc1cc(C(=O)O[C@H](C(C)=O)c2ccccc2)c([N+](=O)[O-])cc1OCc1cscn1 920650870 BTAGORIHYXLYPG-HXUWFJFHSA-N 442.449 4.126 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Oc1cc(C(C)C)ccc1C 929062151 UQSVDOSRJFOXMO-IBGZPJMESA-N 430.526 4.484 5 20 IIBD COc1cc(C(=O)N[C@@H](C)c2noc(C)n2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 1324156866 YKRZCMQXVVJCPZ-JTQLQIEISA-N 432.820 4.232 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(-c3ccccc3NS(=O)(=O)c3cccs3)o2)c1 1345706508 MXQHNVQMTKHWTP-UHFFFAOYSA-N 428.451 4.174 5 20 IIBD Cc1ccc(OCC(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CCC2)cc1 1785747576 BMHZHLRFPCYPHI-UHFFFAOYSA-N 449.463 4.323 5 20 IIBD CC(C)[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1800352303 FITKWBQMUZONQY-YCEIQTCASA-N 445.535 4.448 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(C)CCCCC1 1802216920 LRXCRAUKBMGFII-BJWYYQGGSA-N 431.508 4.265 5 20 IIBD CC(C)(C)CC(=O)N1CCCC2(CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])CC2)C1 1809043688 KUBKGCRPLPFNDJ-MDZDMXLPSA-N 427.545 4.275 5 20 IIBD CC(C)Cc1ccc(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccccc3[N+](=O)[O-])C2)cc1 1847058684 SNKHZKUFHJVSNP-OUKQBFOZSA-N 447.535 4.324 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)Cc1ccc(-c2ccccc2)cc1 10715613 LKXPHVWYRUWUSC-INIZCTEOSA-N 434.448 4.383 5 20 IIBD O=[N+]([O-])c1ccc(NC(=S)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)cc1 10766617 DWTUQPZLNWCITQ-UHFFFAOYSA-N 441.538 4.364 5 20 IIBD O=C(OCc1nnc(-c2ccc(Br)o2)o1)c1ccc(Cl)c([N+](=O)[O-])c1 11025189 VDIHHYRXVUNGKR-UHFFFAOYSA-N 428.582 4.011 5 20 IIBD CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)c2cccc([N+](=O)[O-])c2)nc1C 11231916 JYXUZPMTEOPGCO-UHFFFAOYSA-N 425.466 4.383 5 20 IIBD COCCN(C(=O)CCc1ccccc1OC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 14790472 BJBXQDMOZNZKGQ-UHFFFAOYSA-N 441.509 4.339 5 20 IIBD O=C(Nc1ccc(-n2cnnn2)cc1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 15645467 SXKWQIZELNGPSI-UHFFFAOYSA-N 449.858 4.088 5 20 IIBD COc1ccc(CN(C)C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c(OC)c1 17919665 INNXIQJEHSVBAO-UHFFFAOYSA-N 427.501 4.121 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 18018052 AQXPEMCHVYJBJO-UHFFFAOYSA-N 430.413 4.389 5 20 IIBD C[C@H](Sc1nnc(-c2ccncc2)n1-c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 21682403 URGOPHWMCCQGAX-HNNXBMFYSA-N 446.492 4.357 5 20 IIBD Cc1ccc(-c2csc(NC(=O)COC(=O)c3cc(Cl)ccc3[N+](=O)[O-])n2)cc1 28301544 CQIQUMXTCQIOHJ-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD Cc1ccc(-c2cnc(CCC(=O)O[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)o2)cc1 28647982 ACMVYYSEWYCHMT-MRXNPFEDSA-N 437.452 4.370 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCCN(Cc2ccc(Cl)cc2)CC1 32964106 KKDNXRFUCYOREB-UHFFFAOYSA-N 442.947 4.197 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 59769147 YPNXOMITSCHIFU-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(OCc2ccccn2)c(Cl)c1 62414792 BOMFQNAGHARYNE-UHFFFAOYSA-N 441.875 4.456 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(COCCc2ccccc2)c1 64938582 ZYBRDEOKLWPSEP-UHFFFAOYSA-N 442.493 4.164 5 20 IIBD Cc1c(C(=O)O[C@H](C)c2nc3ccccc3n2C(F)F)nnn1-c1cccc([N+](=O)[O-])c1 97213546 OYROSLIRLPRMGX-GFCCVEGCSA-N 442.382 4.147 5 20 IIBD Cc1cccc2c1CCN2C(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 195735361 NRMCDQFSWSHNJV-UHFFFAOYSA-N 429.476 4.403 5 20 IIBD NC(=O)c1c(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)sc2c1CCCCC2 247710108 IOSAPJVQMPLFRB-UHFFFAOYSA-N 445.544 4.223 5 20 IIBD O=C(c1ccc(Cl)cc1)N1CCCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 301119897 XBLYRJCXIVZUMD-UHFFFAOYSA-N 438.709 4.363 5 20 IIBD Cc1ccc(CNC(=O)C2CCN(c3cc(Br)ccc3[N+](=O)[O-])CC2)cc1 301654327 HHRAGHASTGZXQN-UHFFFAOYSA-N 432.318 4.199 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 301946005 OLVCLFXKOHKQGF-UHFFFAOYSA-N 448.317 4.332 5 20 IIBD O=C(Nc1cccc(-c2ccc3c(c2)CCO3)n1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 303408996 UEPFVAVDRMZVRE-UHFFFAOYSA-N 427.420 4.030 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N1CCN(c2ccc(F)cc2Cl)CC1 409490496 HYFMDNQXRRBBCD-UHFFFAOYSA-N 448.701 4.174 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ncc(C2CCCCC2)s1 426221223 YAEQXGOGFMWNBP-UHFFFAOYSA-N 436.921 4.050 5 20 IIBD CC(C)[C@@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc2c(c1)OCCO2 426223700 DPPZIPIZEYHYHM-JOCHJYFZSA-N 425.485 4.437 5 20 IIBD CC[C@H](NC(=O)c1ccc(C(=O)N[C@H](CC)c2ccncc2)cc1[N+](=O)[O-])c1ccncc1 426779558 JABWITVXEKNXDI-RTWAWAEBSA-N 447.495 4.147 5 20 IIBD C[C@@H]1CN(C(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)CC[C@@H]1O 428687850 DZTKASZYCMWRKN-RFYOCPMDSA-N 437.521 4.365 5 20 IIBD CCN([C@@H](c1ccc(Cl)cc1)c1cccnc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 431903889 PYAFSPBAFDKTLP-FQEVSTJZSA-N 431.901 4.443 5 20 IIBD C[C@@H](CO)NC(=O)c1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 437241715 SVKOOCYCUDMHNA-ZDUSSCGKSA-N 429.860 4.231 5 20 IIBD CCOC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)cn1C 440479235 FSNFTRARKPRWOG-UHFFFAOYSA-N 439.424 4.163 5 20 IIBD CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 440537650 PVTSPOCAIXKODD-MJGOQNOKSA-N 445.947 4.386 5 20 IIBD O=C(N[C@H]1CCN(Cc2ccccc2)C1=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] 440739670 KCBHNMRDHFUTKD-IBGZPJMESA-N 447.516 4.277 5 20 IIBD COCc1nc(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c(-c2ccccc2)s1 441033475 AFJMGZILIJDSNV-UHFFFAOYSA-N 438.509 4.133 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Cc1coc(-c2cccc(F)c2)n1 443197072 WPVSEZDRNPVDOJ-UHFFFAOYSA-N 441.234 4.125 5 20 IIBD COc1ccc(-c2csc3ncnc(N4CC[C@@H](Nc5ccc([N+](=O)[O-])cn5)C4)c23)cc1 443892720 ZONBILYLDMHVQW-OAHLLOKOSA-N 448.508 4.361 5 20 IIBD COc1cc(Cc2noc(-c3csc(-c4cccs4)n3)n2)c([N+](=O)[O-])c(OC)c1 445823090 AGGXFQLMDQYVKK-UHFFFAOYSA-N 430.467 4.438 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1ccc(-c2ccncc2)cc1 446041266 BYMHEYNVAQEJDQ-UHFFFAOYSA-N 426.270 4.278 5 20 IIBD CCOc1cc(NC(=O)N2CCC(Oc3ncccc3F)CC2)c([N+](=O)[O-])cc1OCC 446114478 SFJUJJHBTDQMHB-UHFFFAOYSA-N 448.451 4.002 5 20 IIBD Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 446823108 ITJFQDDOLWBISL-UHFFFAOYSA-N 436.512 4.366 5 20 IIBD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2cn(-c3ccccc3)nc2-c2ccncc2)n1 447542757 QAVBTJDVVZBHRO-FCHUYYIVSA-N 443.511 4.313 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])c1nnc(-c2cccnc2)n1CCc1ccccc1 460422280 GTEVXGLCOPOPGA-UHFFFAOYSA-N 428.496 4.170 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCc4c(Cl)cccc4C3)n2C[C@@H]2CCOC2)c1 461541823 SEGDSNYIMDYROS-HNNXBMFYSA-N 439.903 4.106 5 20 IIBD Cc1ccc(-c2nnc(N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2C[C@H]2CCOC2)o1 461564122 GLMVELPOQDUBGG-GOSISDBHSA-N 425.489 4.206 5 20 IIBD C[C@@H](c1c(F)cccc1F)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 461584758 ZIEWKKSHKWIRQQ-LSDHHAIUSA-N 443.454 4.365 5 20 IIBD CSc1cccc([C@@H](NC(=O)CCn2cc([N+](=O)[O-])nc2C)c2cc(F)ccc2F)c1 464120525 LCMWFIXFYDFOLS-OAQYLSRUSA-N 446.479 4.396 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCNC(=O)[C@@H]2c2cccs2)cc1[N+](=O)[O-] 464340827 UMEHLLDXXYAHCW-SFHVURJKSA-N 433.555 4.108 5 20 IIBD CCc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)c2cccc(S(C)(=O)=O)c2)cc1 464367709 STFMKGLYFBCCQG-HXUWFJFHSA-N 444.534 4.142 5 20 IIBD COc1cc2c(cc1NC(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C)NC(=O)CC2 464455843 GLJPOJAHRFTPIK-UHFFFAOYSA-N 429.498 4.489 5 20 IIBD C[C@H]1OCC[C@]12CN(C(=O)c1cccc(Sc3ccc(Cl)cc3)c1[N+](=O)[O-])CCO2 470669535 KSCHPXVKMJSTRV-SZNDQCEHSA-N 448.928 4.419 5 20 IIBD C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1noc(Cc2ccccc2)n1 475191990 SBOLEKRMMQURIH-NSHDSACASA-N 435.362 4.470 5 20 IIBD O=C(N[C@H](CO)Cc1ccncc1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 476969814 OETMGRHKQBVQJW-KRWDZBQOSA-N 443.912 4.128 5 20 IIBD O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 477620069 FALWVCKXPNSRNW-UHFFFAOYSA-N 443.288 4.048 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3C[C@H](C)O[C@]4(CCOC4)C3)cc2[N+](=O)[O-])cc1 478420224 CKGILKYSIYEROK-KSFYIVLOSA-N 428.510 4.074 5 20 IIBD O=C(N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1cc2cc([N+](=O)[O-])ccc2o1 478462693 AAJDZHNAXHMLTR-CQSZACIVSA-N 428.750 4.477 5 20 IIBD CC(C)c1ncc(NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cn1 478640937 OEJQVIPSQHVRFP-UHFFFAOYSA-N 433.468 4.058 5 20 IIBD COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)c([N+](=O)[O-])c1 480973554 CIYKASGRTVYVLY-UHFFFAOYSA-N 445.431 4.273 5 20 IIBD COc1ccccc1-c1nnc(SCCn2ccc([N+](=O)[O-])n2)n1-c1ccc(C)cc1 481242067 NCPOMIXUCGNERA-UHFFFAOYSA-N 436.497 4.148 5 20 IIBD COc1cc(OC[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)ccc1[N+](=O)[O-] 481708387 BQBACNNUATXEKE-LJQANCHMSA-N 445.418 4.428 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)S(=O)(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1 485323707 VKFHGOSVCBBNDC-ZDUSSCGKSA-N 446.506 4.431 5 20 IIBD C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] 488480638 FAUMOYHHSREVHK-ZUOKHONESA-N 449.429 4.472 5 20 IIBD CCn1c([C@@H]2CCCN2CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc2ccccc21 490188577 SCLZRKROJAHSRF-IBGZPJMESA-N 427.892 4.393 5 20 IIBD O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1cnn(-c2ccc(Cl)cc2Cl)c1 490343652 LHQFDMUBNVVGGD-UHFFFAOYSA-N 444.238 4.125 5 20 IIBD COCCN(Cc1ccc(Br)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1C 494577669 DZVDXJCFKCCXMJ-UHFFFAOYSA-N 428.308 4.408 5 20 IIBD CC1(C)CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H](c2cccc(C(F)(F)F)c2)O1 497841380 QOMUXZBWZAPAMX-KRWDZBQOSA-N 448.401 4.482 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1c2ccccc2CC[C@H]1n1ccnc1 498470904 FXMKQZAFNRBUOC-TZIWHRDSSA-N 439.903 4.215 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)c1 502804158 BSHVQVZIAUHTCE-QGZVFWFLSA-N 437.315 4.293 5 20 IIBD C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)c1nncn1C 507562242 BJGJYLRWQBPOQB-GFCCVEGCSA-N 431.905 4.061 5 20 IIBD Cn1cnc(-c2ccc(Br)cc2)c1NC(=O)CSc1ccc([N+](=O)[O-])cc1 508370973 PZWQVQOQAXCQMK-UHFFFAOYSA-N 447.314 4.489 5 20 IIBD C[C@H](c1ccco1)N(C(=O)c1ccc([N+](=O)[O-])cc1I)C1CC1 508567184 IBKCGASJTYAMNO-SNVBAGLBSA-N 426.210 4.158 5 20 IIBD O=C(N[C@H](c1ccccc1)c1ccncc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 510031029 ZPHJTUGYWSUADK-LJQANCHMSA-N 431.370 4.450 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O 513527848 KONSCFPDMTZQRF-SIFCLUCFSA-N 445.516 4.083 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC(Oc2ccccc2Cl)CC1 513880810 DUPFIUCXNRDGCY-UHFFFAOYSA-N 426.860 4.118 5 20 IIBD Cc1ccc(C(=O)Nc2ccccc2)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C 515634759 JKZXDZUTEVZWKB-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD Cc1ccc(Oc2ccccc2NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)cc1 516319403 NRNOSVJSKBFXIN-UHFFFAOYSA-N 426.450 4.351 5 20 IIBD O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1cc2cc([N+](=O)[O-])ccc2o1 518311232 AJLSLKYFPQRDEE-FQEVSTJZSA-N 429.432 4.321 5 20 IIBD O=C(N[C@@H]1CCOc2c(-c3ccccc3)cccc21)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 518787182 QXXRDHKRGCAFRD-OAQYLSRUSA-N 441.447 4.096 5 20 IIBD O=C(NCCc1nc(C2(c3cccc(C(F)(F)F)c3)CC2)no1)c1ccc([N+](=O)[O-])cc1 519728019 UQKUZNIDAMNZNS-UHFFFAOYSA-N 446.385 4.049 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(NC(=O)C4CC4)nc3)cc2[N+](=O)[O-])C1 521801304 ZLTKGBJNKLHXBU-GASCZTMLSA-N 437.500 4.073 5 20 IIBD CC[C@@H](C)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C)C(=O)Nc1cccc(N2CCCC2)c1 521973998 DVUPZRYCLYHVRA-OPAMFIHVSA-N 438.528 4.287 5 20 IIBD Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1I 524113642 APUUXMQEKDRFIJ-UHFFFAOYSA-N 448.163 4.362 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c1 525659061 DKALUUSESKZUQY-QGZVFWFLSA-N 435.402 4.016 5 20 IIBD Cc1nn(Cc2ccc(-c3nc(-c4ccc(CN(C)C)cc4)no3)cc2)c(C)c1[N+](=O)[O-] 530871760 NOLDAFPFCRZCPQ-UHFFFAOYSA-N 432.484 4.235 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCOc2ccc(F)cc21 531513592 BCVQXCJBDDPJLH-UHFFFAOYSA-N 437.214 4.266 5 20 IIBD Cc1ncc(-c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Br)cc2)o1 533464531 PPBIHFIPLGVYMN-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD C[C@@H]1CC(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 535053502 IMLMATIJFZTVHA-IAGOWNOFSA-N 434.496 4.062 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)NCc1cccc(NC(=O)Nc2ccccc2)c1 535426717 WUIYFPMLGJDXSJ-UHFFFAOYSA-N 433.468 4.281 5 20 IIBD CN(CCC1CCN(c2ccncc2)CC1)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 536397396 XNRSWZRYOVVOSP-UHFFFAOYSA-N 446.935 4.177 5 20 IIBD C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC1CCN(c2nc3ccccc3s2)CC1 536851209 IKBZPVNPJVJBCJ-OAHLLOKOSA-N 439.541 4.180 5 20 IIBD O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1ccc(Cl)cc1[N+](=O)[O-] 539799259 SXUYZQCQHXQSGM-CQSZACIVSA-N 428.659 4.090 5 20 IIBD C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(N2CCCC2=O)c1 543163357 IQVPQKXDHDYYMQ-CYBMUJFWSA-N 433.917 4.345 5 20 IIBD COc1ccc(NC(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1[N+](=O)[O-] 543887750 GEYVRWMZUQJDDL-KRWDZBQOSA-N 425.363 4.228 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2N2CCN(C)CC2)no1 544958213 NPXJMMLHPNPIRC-HNNXBMFYSA-N 425.514 4.250 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCO[C@@H](c2ccc(F)cc2F)C1 547987013 GCMBTQULRLOMGQ-GOSISDBHSA-N 431.420 4.210 5 20 IIBD CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F 549366099 JHMXHKBWFZNXND-UHFFFAOYSA-N 438.406 4.033 5 20 IIBD COc1ccccc1CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCO1 549620947 IPLULOSIEGVJSS-FQEVSTJZSA-N 437.500 4.067 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccnn1Cc1ccccc1F 550312551 OPDQOMQJUCNGSK-UHFFFAOYSA-N 433.237 4.302 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)NC[C@H](c2ccccc2)C(F)(F)F)cc1[N+](=O)[O-] 551476399 UTWIRDLYAVBCTL-MRXNPFEDSA-N 437.418 4.293 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 551543145 RVNMQNUSUWOJIZ-UHFFFAOYSA-N 438.328 4.186 5 20 IIBD COc1ccc(CSCC(=O)N2CC[C@@](F)(c3cc(F)cc(F)c3)C2)cc1[N+](=O)[O-] 551699003 XOIPLSIAPDLHEG-FQEVSTJZSA-N 440.443 4.212 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N(Cc1ccc(F)cc1Cl)CC1CC1 552739628 ABTXBLLPGIDEEV-UHFFFAOYSA-N 447.894 4.276 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCn1ccc2cc(Cl)ccc21 553064711 APYKGJNBOBNRRV-UHFFFAOYSA-N 433.917 4.371 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1nc(SCc2ccccc2)ns1 554869267 QYMMTLDNSKJDEX-UHFFFAOYSA-N 429.527 4.445 5 20 IIBD C[C@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-n2cccn2)c(F)c1 555626681 WYINXHPNTIRFCT-QWHCGFSZSA-N 431.855 4.251 5 20 IIBD CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 559102210 MBTYATCVZJZEMB-INIZCTEOSA-N 427.427 4.057 5 20 IIBD Cc1c(Cl)cccc1N1CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 560111435 QXNYREMLIDFTPV-UHFFFAOYSA-N 439.903 4.095 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1nc(C(C)(C)C)cs1 560225241 HFUDMUPMWCNWKY-GFCCVEGCSA-N 432.546 4.462 5 20 IIBD O=C1NC2(CCCC2)C(=O)N1c1cccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 564434352 TZZMFOJAJDJISB-NRFANRHFSA-N 434.496 4.131 5 20 IIBD O=C(NCc1c(F)cccc1N1CCCC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 566390789 QLQUXLHSMMABCF-UHFFFAOYSA-N 442.491 4.087 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] 566946503 HZXQCXSTZASSIP-LIRRHRJNSA-N 449.429 4.404 5 20 IIBD Cn1nc(-c2cccc(C(F)(F)F)c2)cc1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F 568804888 HJPKKYRFHNURKM-UHFFFAOYSA-N 440.328 4.474 5 20 IIBD COc1cc(Cc2noc(-c3ccc(CN4CCCCC4)cc3)n2)c([N+](=O)[O-])c(OC)c1 570550926 XRIVMADALHHICI-UHFFFAOYSA-N 438.484 4.239 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3nccc(-c4ccccc4)n3)cc2)c(C)c1[N+](=O)[O-] 585709573 YYMZJFOKERUWHH-UHFFFAOYSA-N 428.452 4.166 5 20 IIBD COc1ccc(CNC(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)cc1[N+](=O)[O-] 604082827 BRWSMCTYOLFCIO-UHFFFAOYSA-N 434.424 4.251 5 20 IIBD COC(=O)[C@H](C)CN(C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C1CC1 608851321 MWTBKSOEEKSQGS-CQSZACIVSA-N 445.903 4.274 5 20 IIBD CC(=O)N1CCCCC[C@@H]1C1CCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 609511908 WEAOUJFYNVYNBY-JOCHJYFZSA-N 437.544 4.368 5 20 IIBD COC1CCC(N(C)C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 609647421 NGLXXPVZKKCYHJ-UHFFFAOYSA-N 448.523 4.406 5 20 IIBD COc1ccc(-c2nc(Cc3noc(-c4cc(O)nc5ccc([N+](=O)[O-])cc45)n3)co2)cc1 609781451 LWXFQMKNVYXHHQ-UHFFFAOYSA-N 445.391 4.153 5 20 IIBD O=C(NCc1cc(Cl)c2c(c1)OCCCO2)c1ccc([N+](=O)[O-])cc1Br 610037338 CKBQRBAKKSKLAT-UHFFFAOYSA-N 441.665 4.102 5 20 IIBD Cc1nn(C)cc1[C@@H]1CCCN1C(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 610729334 BMOBFGXKBDJMKY-FTRWYGJKSA-N 425.533 4.096 5 20 IIBD COc1cc(C(=O)NCc2cc(C)ncn2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 611138811 XQDYEMCVPUWZOL-UHFFFAOYSA-N 428.832 4.078 5 20 IIBD CCOc1ccc(-c2nc(Cc3cc(OC)cc(OC)c3[N+](=O)[O-])no2)cc1OCC 618438723 KMNNCXRGWHMVLO-UHFFFAOYSA-N 429.429 4.050 5 20 IIBD O=[N+]([O-])c1cccnc1Sc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2 619673612 CTIPUTOMPDUSND-UHFFFAOYSA-N 433.449 4.177 5 20 IIBD COc1ccc2c(c1)OCCN(C(=O)c1cc(F)cc3c(=O)c4cc(F)ccc4[nH]c13)C2 670138396 MTVRKXLNSQLXFC-UHFFFAOYSA-N 436.414 4.003 5 20 IIBD C[C@@H](OC(=O)c1csc(-c2ccc(O)cc2)n1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 726645763 ORWNGIJJOIMWIW-SNVBAGLBSA-N 447.856 4.261 5 20 IIBD Cc1c(C(=O)Oc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 728246116 QHFBDWLEDFZQQH-UHFFFAOYSA-N 439.355 4.422 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)C1CCC(NC(=O)C2CCCC2)CC1 729119461 OJTCMRBXFVLEAO-UHFFFAOYSA-N 432.517 4.290 5 20 IIBD COc1cc(CCNC(=O)N[C@H](C)c2csc3ccccc23)c([N+](=O)[O-])cc1OC 730028838 BTRUUUZFZZNWKG-CYBMUJFWSA-N 429.498 4.430 5 20 IIBD Cc1nn(-c2ccccc2)c(Cl)c1C[S@@](=O)Cc1cc([N+](=O)[O-])cc2c1OCOC2 730059889 CIPSFHUXBFWEFU-PMERELPUSA-N 447.900 4.058 5 20 IIBD Cc1nc(CCC(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])oc1-c1ccccc1 730335564 LGEHPIZNROVJSH-UHFFFAOYSA-N 443.843 4.326 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 730573613 NGVUZMKBJJBRTL-NRFANRHFSA-N 442.468 4.127 5 20 IIBD CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)OCc1c(F)cccc1[N+](=O)[O-] 730630849 LESGNNLQHWFTCD-ZDUSSCGKSA-N 441.502 4.142 5 20 IIBD CCc1ccc(-c2csc(NC(=O)COC(=O)c3cc(F)ccc3[N+](=O)[O-])n2)cc1 732330217 BIZDWGLQEMOCJX-UHFFFAOYSA-N 429.429 4.215 5 20 IIBD COc1ccc(CCN(CC(C)(C)C)C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 734697806 SIBUBYFMDWNNBE-UHFFFAOYSA-N 447.919 4.313 5 20 IIBD CCOC(=O)c1cc(C)sc1NC(=O)COC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 736760012 CVHDXFYRXSFITN-UHFFFAOYSA-N 448.478 4.152 5 20 IIBD COc1cc(NCc2cc([N+](=O)[O-])ccc2OC(C)C)c(C(=O)N2CCCC2)cc1OC 742258302 BCOYTIBOCVRRJX-UHFFFAOYSA-N 443.500 4.247 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1OC(=O)[C@H]1CCCOC1 744282565 BGZUSVZUMLEXKC-NSHDSACASA-N 439.251 4.486 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(=O)Nc1cccc2ncccc12 744554063 KOXGMEZZMIMSLL-INIZCTEOSA-N 448.479 4.317 5 20 IIBD Cc1ccc(N2CCC[C@H](OC(=O)c3cc([N+](=O)[O-])ccc3Br)C2=O)cc1 744914394 CZMPLVMUJPVBDM-KRWDZBQOSA-N 433.258 4.018 5 20 IIBD COc1ccc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(C)c1 745336989 YDLZGFRZZMWHAI-CYBMUJFWSA-N 441.465 4.219 5 20 IIBD C[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NC12CC3CC(CC(C3)C1)C2 745567604 NDDXUWQSVYXNDY-JIEKGTPASA-N 440.418 4.244 5 20 IIBD C[C@@H](OC(=O)c1ccc(F)c(Br)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 745575323 VWVRQTKNOZMQGW-MRVPVSSYSA-N 445.628 4.334 5 20 IIBD CCc1ccc(C(=O)Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1[N+](=O)[O-] 746507034 WOKYZVWHPKAKLT-UHFFFAOYSA-N 434.477 4.288 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1/C=C1/NC(=S)N(c2ccccc2C(F)(F)F)C1=O 748793321 CNYIMMZVMKGNEB-GXDHUFHOSA-N 437.399 4.275 5 20 IIBD Cc1c(C(=O)O[C@H](C)C(=O)Nc2ccc(F)cc2Cl)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748950688 MHHQLVOEAASQMR-SNVBAGLBSA-N 439.783 4.096 5 20 IIBD CC[C@H](Oc1ccccc1F)C(=O)OC1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 749036472 HAGIOZOXBWSDAE-IBGZPJMESA-N 432.448 4.112 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)O[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 749060022 UXRKQZHKWQZLNQ-AWEZNQCLSA-N 446.887 4.413 5 20 IIBD CCN(CC1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1)C(=O)OC(C)(C)C 750072469 IAGAYWPLOCUFOR-UHFFFAOYSA-N 425.913 4.357 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 750608079 BJGPHGNXXVNUGT-HZPDHXFCSA-N 445.520 4.285 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCC[C@H]1CCCCN1C(=O)c1cccn1C 750645055 KKXZXUCTLLDRHV-IAGOWNOFSA-N 445.541 4.042 5 20 IIBD C[C@@H](OC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1nc(Cc2ccccc2)no1 750967240 YGVFQNYWNACHIZ-LLVKDONJSA-N 432.230 4.249 5 20 IIBD Cc1nn(Cc2ccc(C(=O)OCc3nc(C(F)(F)F)cs3)cc2)c(C)c1[N+](=O)[O-] 751652586 WEOSLTJYULVRBO-UHFFFAOYSA-N 440.403 4.289 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]21 752387553 GYYRXGQRUMCVAU-DUVNUKRYSA-N 438.912 4.405 5 20 IIBD O=C(Nc1cccc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])c1)c1cc(F)ccc1[N+](=O)[O-] 752865894 STBJYMPDWYEBKX-UHFFFAOYSA-N 442.334 4.286 5 20 IIBD C/C(=C\C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccccc1OC(F)F 753538900 VSMITGNEBIESIE-FMIVXFBMSA-N 431.351 4.393 5 20 IIBD C[C@H](N[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 754311056 DORWCUZLCZUYPG-VYDXJSESSA-N 445.520 4.331 5 20 IIBD CC1CCN(C[C@H]2CCCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)C2)CC1 754636932 SNIXRKLZZHKALT-CQSZACIVSA-N 442.329 4.081 5 20 IIBD Cn1c(COc2ccccc2Cl)nn(CN2CCc3c2cccc3[N+](=O)[O-])c1=S 754776292 JRVDIRGXAHGQBQ-UHFFFAOYSA-N 431.905 4.112 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 754988662 OWZJIYSQLRJVMD-MRVPVSSYSA-N 436.739 4.264 5 20 IIBD Cc1ccc(CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)c(OCC(F)(F)F)c1 756138863 GNINXDSNIZTVTG-UHFFFAOYSA-N 425.363 4.413 5 20 IIBD CC(C)(C)OC(=O)N1CCC(n2cc(NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)cn2)CC1 756239191 NBJDDKGYCFKKID-TWGQIWQCSA-N 441.488 4.015 5 20 IIBD O=C(N[C@H](c1cccc(F)c1)c1ccccn1)c1cccc([N+](=O)[O-])c1Br 758909598 QVYYFTDUSMIBBN-GOSISDBHSA-N 430.233 4.411 5 20 IIBD O=C(CCS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1-c1cccs1)OCc1ccccc1 769752900 OHTKMVODDFTPEE-UHFFFAOYSA-N 447.490 4.165 5 20 IIBD O=C(OCc1ccc(F)c(Br)c1)c1cc(Br)ncc1[N+](=O)[O-] 769838088 FOEFJAZJYNTDDR-UHFFFAOYSA-N 434.015 4.011 5 20 IIBD CC[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@H](O)c1c(F)cccc1F 771700562 LHIZPUDXXKEBNY-LRDDRELGSA-N 447.207 4.017 5 20 IIBD CCc1nc2ccccc2n1[C@H]1CCCN(C(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)C1 773190131 RBLAVTWUXDCGNP-INIZCTEOSA-N 445.479 4.238 5 20 IIBD COc1ccc(CSCC(=O)OCC2(c3ccccc3)CCOCC2)cc1[N+](=O)[O-] 774375838 RDHSSORZTFWATD-UHFFFAOYSA-N 431.510 4.128 5 20 IIBD O=C(Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 775305496 GLQMKDKUFZERTD-UHFFFAOYSA-N 434.496 4.137 5 20 IIBD CN(Cc1ncc(Cl)n1C)[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 778989594 ZERXGVZCIGTJAW-IBGZPJMESA-N 448.310 4.447 5 20 IIBD CCCNC(=O)c1ccc(Cl)cc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 779340933 MWVSGPYVIIYJMR-UHFFFAOYSA-N 427.791 4.242 5 20 IIBD C[C@H](C(=O)NCc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2)c1ccc([N+](=O)[O-])cc1F 781082604 ZYVVEZBSMMOJRE-AWEZNQCLSA-N 443.475 4.405 5 20 IIBD O=[N+]([O-])c1cc(Cl)c2c(cnn2CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1 782296156 JDYAOWHDRWMXGE-GFCCVEGCSA-N 428.802 4.108 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(CN2CCCCC2=O)cc1 785380116 AWUKWDNLRPCNQW-UHFFFAOYSA-N 435.402 4.056 5 20 IIBD COc1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])c(F)c3)n2C[C@H]2CCCO2)cc1 787488074 ONZWKDNGAQAGOK-QGZVFWFLSA-N 444.488 4.472 5 20 IIBD COc1ccc(-c2nn(CN(C)CCc3ccccc3[N+](=O)[O-])c(=O)c3ccccc23)cc1 795643252 BJWCWHSZXGSORF-UHFFFAOYSA-N 444.491 4.112 5 20 IIBD C[C@H](OC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])c1nc2ccccc2o1 797223398 RKDNJQPJHMYBLM-NSHDSACASA-N 434.246 4.239 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)c1 800930248 IEZZUIVUAFBCAA-NSHDSACASA-N 447.296 4.118 5 20 IIBD O=C(CCNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])OC1CCCCC1 801079952 PKHKAJFQTGZJIZ-UHFFFAOYSA-N 426.469 4.170 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1OCc1cn2ccccc2n1 801089642 OLRFXWVXZUAMGP-UHFFFAOYSA-N 430.464 4.136 5 20 IIBD Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCc2ncnn2C(C)(C)C)n1 801200245 GRMRGYVOKHJGSB-UHFFFAOYSA-N 433.515 4.214 5 20 IIBD CCc1ccccc1-n1cc(O)c(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1 801418757 VGMXMCDASHEULD-CYBMUJFWSA-N 449.423 4.017 5 20 IIBD CCc1nc2cc(CNC(=O)NCc3cc([N+](=O)[O-])ccc3Cl)ccc2n1C1CC1 801757784 ZRJUUQJZSKHZBN-UHFFFAOYSA-N 427.892 4.495 5 20 IIBD COc1ccccc1O[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Br)C1 803601257 IJFCQKIIJJRPDL-AWEZNQCLSA-N 435.274 4.050 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)c(Cl)cc1Cl 809832754 SGFNFAPDLVEVGR-MLGOLLRUSA-N 431.297 4.100 5 20 IIBD O=C(CCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)Nc1ccc(Br)cc1 809916064 FVHUNPGICNCGHA-UHFFFAOYSA-N 441.669 4.161 5 20 IIBD C[C@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810351796 ZCFOESYXLCXGDZ-LLVKDONJSA-N 446.257 4.262 5 20 IIBD CC(C)(CNC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C1CCCCC1 810378676 DBKIJIWBMPLBFL-UHFFFAOYSA-N 426.311 4.019 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)C1 810945810 LPRGSSDWJZXPFK-OAHLLOKOSA-N 437.924 4.357 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(c3ncnc4ccc([N+](=O)[O-])cc34)CC2)C1 811861332 BWVUDVJZBICVDE-MRXNPFEDSA-N 427.505 4.011 5 20 IIBD O=C(NCC(F)(F)F)c1ccccc1NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 812839433 VGZDEXSAGGGAEJ-UHFFFAOYSA-N 436.173 4.446 5 20 IIBD COCC[S@](=O)Cc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 813006479 IWGVGROMQBGWFL-MHZLTWQESA-N 431.297 4.049 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)OCc2cc(C(C)=O)no2)cc1[N+](=O)[O-] 813136947 KLMCZQPDYHQDIY-UHFFFAOYSA-N 440.433 4.095 5 20 IIBD O=C(C[C@H](c1ccccc1)N1CCOC1=O)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F 815206342 ZXBXJGFDKXWDIU-QGZVFWFLSA-N 438.358 4.240 5 20 IIBD Cc1c(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cnn1-c1ccccc1F 821192031 QZLTVRXLDSIKRI-UHFFFAOYSA-N 445.259 4.336 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 848460784 PRBFCQJNGINIKX-UHFFFAOYSA-N 430.420 4.208 5 20 IIBD C[C@H](OC(=O)COc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 914909102 BWFLNSRSNRRFME-NEPJUHHUSA-N 441.267 4.090 5 20 IIBD COc1cc(C)c([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1OC 915869127 UVESCZWBODEQMP-INIZCTEOSA-N 427.501 4.402 5 20 IIBD CC(C)N(C)c1ccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1F 916434039 JLCNVXNNCVDIBZ-UHFFFAOYSA-N 444.492 4.111 5 20 IIBD CN(c1ccc(NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1F)C1CCCCC1 916434244 SGLMNACAZFRUCW-UHFFFAOYSA-N 442.447 4.049 5 20 IIBD COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1[N+](=O)[O-] 917846588 VWSYPIKQVUGFHV-UHFFFAOYSA-N 436.424 4.054 5 20 IIBD CCOc1ccc(CC(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cc1 918638139 PCRUNOUIGJHLES-HXUWFJFHSA-N 440.496 4.164 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CCCC[C@H]2C1 1256639060 OAEAUPQUPPAOPC-STQMWFEESA-N 428.270 4.160 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 1318005955 NUPJMPUBCAMEPW-KBPBESRZSA-N 428.876 4.298 5 20 IIBD C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1328985444 PNNQMOFAFJGFQV-MRXNPFEDSA-N 435.446 4.137 5 20 IIBD O=C(c1ccccc1OC(F)F)N1CCC[C@H](c2nnc(-c3cccc([N+](=O)[O-])c3)o2)C1 1329039449 PVOWCBQTMCCKSU-AWEZNQCLSA-N 444.394 4.266 5 20 IIBD CN(C)C(=O)[C@H]1CCCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 1349277025 HDYMLRMWOOIWFK-AWEZNQCLSA-N 447.944 4.340 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)NC1(c2ccc(NC(=O)C3CC(F)(F)C3)cc2)CCC1 1785907924 NGAUBAIYHIFTGY-UHFFFAOYSA-N 443.450 4.317 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)NC1(c2ccc(NC(=O)c3ccncc3)cc2)CCC1 1787312778 ZOKOMQGGQVBJLQ-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD O=C(Cc1cccc(F)c1)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1 1790184514 POIZJUCNVMUHCD-UHFFFAOYSA-N 436.443 4.052 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2)CCC1)C1=CCCS1 1790617217 MYNSMJSHKGHGOM-UHFFFAOYSA-N 439.493 4.069 5 20 IIBD Cc1occc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1825909819 WIXSCVBTUQYWOA-OAQYLSRUSA-N 443.475 4.182 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)cc2F)CC1 1830092809 PSVSFVZHLBWLNW-SFHVURJKSA-N 447.438 4.013 5 20 IIBD C/C=C/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cc([N+](=O)[O-])ccc2F)CC1 1831359807 FENJKUKRGNEHIV-RXPBTDQBSA-N 443.519 4.028 5 20 IIBD COc1ccc(Nc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3F)s2)cc1 3500593 LVKUCLORHDZCEK-UHFFFAOYSA-N 435.462 4.068 5 20 IIBD O=C(COC(=O)c1cc(Br)ccc1Cl)Nc1cc(Cl)ccc1[N+](=O)[O-] 11481406 BBIIPOGUJHUONV-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Sc2nnc(C3CC3)n2-c2ccccc2)c([N+](=O)[O-])c1 16725390 HDUAXCBXVVOMKR-CYBMUJFWSA-N 439.497 4.181 5 20 IIBD Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1F 18611093 UNNSLFPSNUHIAJ-LBPRGKRZSA-N 429.429 4.350 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCSc1nnc(NC2CCCCC2)s1 26367154 TXOTYBCDDRLNBW-UHFFFAOYSA-N 437.547 4.320 5 20 IIBD CCNc1ccc(C(=O)N(CC)CC(=O)Nc2c(Cl)cccc2Cl)cc1[N+](=O)[O-] 57859473 WGXJOHGZIFVVKK-UHFFFAOYSA-N 439.299 4.434 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)c1 58481924 LNPFABUCXYADJT-UHFFFAOYSA-N 428.510 4.330 5 20 IIBD Cc1ccc(C(=O)N[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 107587647 RNIHROXERMERCP-QGZVFWFLSA-N 435.402 4.016 5 20 IIBD Cc1ccc(NCCCNC(=O)C2(c3ccccc3Cl)CCOCC2)c([N+](=O)[O-])c1 303820975 PGPSORBOHBMADM-UHFFFAOYSA-N 431.920 4.223 5 20 IIBD COc1ccc(CSCC(=O)N2CCCCC[C@H]2[C@@H]2CCCCC2=O)cc1[N+](=O)[O-] 426892226 VNAREWCSTWZUKT-ROUUACIJSA-N 434.558 4.367 5 20 IIBD CC(=O)N(c1ccc(C)c(C)c1)c1nc(COc2ccc([N+](=O)[O-])c(CO)c2)cs1 428069827 LVDLVBYZHABLCQ-UHFFFAOYSA-N 427.482 4.424 5 20 IIBD CCOC(=O)[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(OC)c(F)c1 428395525 ZVKJEQPBTLOZOO-NRFANRHFSA-N 428.416 4.397 5 20 IIBD COC(=O)c1cc(NCc2cc(OC)c(F)cc2[N+](=O)[O-])cc(Br)c1F 432343395 VMTYZJLJYWMTDY-UHFFFAOYSA-N 431.189 4.043 5 20 IIBD COc1cc(-c2nc(Cc3cc(Br)cs3)no2)cc([N+](=O)[O-])c1OC 436295580 RSMSRZWBVTVAGA-UHFFFAOYSA-N 426.248 4.077 5 20 IIBD CN(C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 437953664 KTXFFKXPTYTGOS-BVYCBKJFSA-N 441.553 4.070 5 20 IIBD CC(C)c1ccc(C(=O)N2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)cc1[N+](=O)[O-] 439171718 SQUWLHYSWMXXRJ-FQEVSTJZSA-N 437.496 4.287 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 439391175 ZROXRODXHBWUMH-UZUQRXQVSA-N 448.483 4.242 5 20 IIBD O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3csc(Cc4ccc(Cl)cc4)n3)C2)nc1 440493838 YILALRZQZSDDHT-INIZCTEOSA-N 429.933 4.377 5 20 IIBD Cc1cc(CN2CCN(C(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])CC2)no1 442246347 AQQQYBCWUBAUOK-UHFFFAOYSA-N 438.509 4.000 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 443716724 HPRFOKIAQMTDHZ-NSHDSACASA-N 439.852 4.097 5 20 IIBD Cn1cc(-c2csc(NC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)n2)cn1 444074624 NLVVWNDGVNMHLI-UHFFFAOYSA-N 437.431 4.069 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccccc1 445255261 SIANOGIYBKTDHX-LBPRGKRZSA-N 441.303 4.232 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccc(NC(=O)c2ccco2)cc1 445530957 HVTLKJVIZWGAIZ-UHFFFAOYSA-N 444.241 4.384 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N[C@H](c1ccccc1)c1cccc(F)c1 446886767 JTHOMBBRFNPOBU-OAQYLSRUSA-N 441.846 4.023 5 20 IIBD O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NC2CCN(c3nc4ccccc4s3)CC2)n1 447543586 SDWSYMANHAYMAC-AEFFLSMTSA-N 426.546 4.143 5 20 IIBD COC(=O)c1cc(C(=O)Nc2cc(Cl)c(C)cc2Br)cc([N+](=O)[O-])c1 463131840 LOZKMPKAMGIRIU-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD CCOc1cc(NC(=O)c2ccnc(N3CCC[C@@H](C)C3)c2)c([N+](=O)[O-])cc1OCC 463297544 MZYKXUPNJYHFAO-OAHLLOKOSA-N 428.489 4.276 5 20 IIBD Cc1nc(=NC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)s[nH]1 464420668 NVHHTMYIAIMIHO-UHFFFAOYSA-N 429.508 4.190 5 20 IIBD CCN(CC)[C@H]1CCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 464778800 WDQKBXFFCVPFIJ-RXVVDRJESA-N 430.936 4.344 5 20 IIBD COc1ccccc1[C@H](CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])OC(C)C 472766405 GAMBNIDFWIIMET-FQEVSTJZSA-N 435.908 4.265 5 20 IIBD C[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C2CC2)O1 473338285 XOUIWOAYCHXRPF-ZUOKHONESA-N 443.887 4.140 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3ccc(OCCO)cc3)cc2[N+](=O)[O-])n1 476430787 KVGCRBKQSCCYDH-UHFFFAOYSA-N 431.495 4.134 5 20 IIBD CC(=O)N(c1nc(CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cs1)c1ccc(C)cc1C 477059990 SMJRQFXVXVGSKU-UHFFFAOYSA-N 445.522 4.327 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)N2CC[C@H]2Cc2ccccc2)cc1[N+](=O)[O-] 479364143 HTMYFEQBNGDYDZ-FQEVSTJZSA-N 443.503 4.349 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1N1CCOCC1 480742534 PQRBDAUWUKLBJC-UHFFFAOYSA-N 429.542 4.110 5 20 IIBD Cc1ccc(-c2nc(CN3CCCN(c4nc5ccc([N+](=O)[O-])cc5[nH]4)CC3)co2)cc1 481191070 NRCWUXKDMUTMDT-UHFFFAOYSA-N 432.484 4.147 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccccc1NC(=O)N1CCCC1 485118478 FANHKXPABAGBAN-UHFFFAOYSA-N 440.503 4.421 5 20 IIBD COc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)c2ccccc2)cc1Br 485200865 FKMMEKZSLGMJGS-LJQANCHMSA-N 444.285 4.224 5 20 IIBD CN(Cc1ccccc1)C(=O)N1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 485844284 MEBZSAWKUJIPMY-UHFFFAOYSA-N 438.531 4.398 5 20 IIBD CSc1cccc(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)c1[N+](=O)[O-] 486231398 VLTSVMHBIFDRLS-LBPRGKRZSA-N 436.331 4.088 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCCCC[C@@H]2c2c(C)n[nH]c2C)c(C)c([N+](=O)[O-])c1 486881662 HCTAQQICTUOZBN-QGZVFWFLSA-N 429.477 4.179 5 20 IIBD CCCNc1ccc(Cl)cc1NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 488122454 VLJJUOBJMMDLSV-UHFFFAOYSA-N 425.272 4.092 5 20 IIBD CCC(C)(C)OCc1cccc(NC(=O)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1C 490864904 PJUGYHUQZQQGHJ-INIZCTEOSA-N 427.501 4.424 5 20 IIBD CCC[C@@]1(C(F)(F)F)CCCN1C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 494684798 KKJUKNXKAXEUAL-KRWDZBQOSA-N 443.451 4.212 5 20 IIBD Cc1ccc(NCCCNC(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)c([N+](=O)[O-])c1 495202195 NMSMCNSAAMGQPE-NSHDSACASA-N 431.440 4.241 5 20 IIBD CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H](C)Cc1ccsc1 495226802 DUHBJGPSDIJNKT-GFCCVEGCSA-N 426.336 4.310 5 20 IIBD O=C(NCc1ccccc1F)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 498178133 HNVIRMJAWQSQDG-UHFFFAOYSA-N 444.422 4.464 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)COc2ccccc2C(F)(F)F)cc1OC 500579744 HICYUMURLLBASD-GFCCVEGCSA-N 442.390 4.218 5 20 IIBD CCOc1cc(C(=O)N[C@H](C)COc2ccccc2C(F)(F)F)c([N+](=O)[O-])cc1OC 500594273 ZMZKFBXSPGCQKM-GFCCVEGCSA-N 442.390 4.218 5 20 IIBD Cn1ccnc1Sc1ccc(F)cc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 502483711 BERZMZLHKAEVHH-UHFFFAOYSA-N 438.444 4.057 5 20 IIBD CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl 503460271 JTAOTEWWOWMIGO-LJQANCHMSA-N 431.920 4.009 5 20 IIBD C[C@@H]1CCCCN1C[C@@H]1CCCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 505936365 UNKVYVNJOXJOGL-CVEARBPZSA-N 443.466 4.263 5 20 IIBD Cc1ncsc1CCSc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] 507104633 SHIVKVCWQSBWFB-UHFFFAOYSA-N 441.600 4.259 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 509845113 VYFYWTVDCIONTC-PKOBYXMFSA-N 434.418 4.001 5 20 IIBD CCOC(=O)CN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H](C)c1ccccc1 513921534 DHTXTTBTJORWOY-OAHLLOKOSA-N 439.493 4.485 5 20 IIBD CC(C)CNC(=O)c1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1Cl 515665657 USJLBSLMFNAJIL-UHFFFAOYSA-N 430.892 4.461 5 20 IIBD CC(C)CCOC1CCN(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 520029012 WLAMXJXSBIBFSX-UHFFFAOYSA-N 446.470 4.262 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 520378734 PRJKSROSAXBWOS-SFHVURJKSA-N 434.899 4.193 5 20 IIBD COC(=O)[C@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])C1CCCCC1 521240799 WSNRKWITGRCTNZ-OAQYLSRUSA-N 426.469 4.026 5 20 IIBD O=C(Nc1ccc(Cl)cc1)N1CCCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 522596129 PQPNEAXIQSNALO-UHFFFAOYSA-N 441.875 4.110 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2cccc(OCC(C)C)c2)ccc1[N+](=O)[O-] 523272914 MCKSOHKQAZIYKI-NRFANRHFSA-N 425.485 4.181 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 524838415 VYCFNWWEUSNDDZ-QFIPXVFZSA-N 425.485 4.139 5 20 IIBD Cc1ccc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)cc1NC(=O)Nc1ccccc1 524939370 CIRQPUAUWCVKII-UHFFFAOYSA-N 434.452 4.356 5 20 IIBD CC[C@H](C)N(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1nc(O)c2ccccc2n1 532712032 ZMTMWJXJIAVDOD-INIZCTEOSA-N 437.500 4.181 5 20 IIBD Cc1ccc(-c2nc(CS(=O)(=O)Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)co2)cc1 534060524 HYIVCYRWOFNWGU-UHFFFAOYSA-N 439.449 4.328 5 20 IIBD Cc1ncc(-c2ccc(NC(=O)c3cc(I)cc([N+](=O)[O-])c3)cc2)o1 536555075 HOEHLVOTKGNCJI-UHFFFAOYSA-N 449.204 4.415 5 20 IIBD NS(=O)(=O)c1c(N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)cccc1[N+](=O)[O-] 536645586 OWAYCIDSUKKNAT-TZMCWYRMSA-N 429.420 4.009 5 20 IIBD C[C@@H](CS(C)(=O)=O)N(Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C1CC1 536677072 YDTJWSYFWLJPSP-AWEZNQCLSA-N 438.933 4.438 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 540546283 CXUSRAGFXWBQBK-UHFFFAOYSA-N 446.891 4.027 5 20 IIBD COc1ccc(-c2nc(C)c([C@H](C)NC[C@@H](O)COc3cccc([N+](=O)[O-])c3)s2)cc1 541646557 QSAYXQWNELDXEK-KBXCAEBGSA-N 443.525 4.126 5 20 IIBD COc1cc(Br)c(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1OC 544507570 ZRDVFXQQJKEIEF-VIFPVBQESA-N 427.226 4.256 5 20 IIBD Cc1ccc(C)c(N2N=C(c3nc(Cc4c[nH]c5ccc([N+](=O)[O-])cc45)no3)CCC2=O)c1 545144919 WZZFAKLSSXRQGZ-UHFFFAOYSA-N 444.451 4.198 5 20 IIBD CC(=O)N[C@H](Cc1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1)c1ccc(Br)cc1 546985385 FWXXKHARVPQPRH-MRXNPFEDSA-N 445.273 4.136 5 20 IIBD CC(C)(C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1)c1ccccc1[N+](=O)[O-] 550923745 XXLDPFDCIIEDBD-UHFFFAOYSA-N 445.947 4.185 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1nncn1C 553172934 NFROLGGBFVUMJB-GOSISDBHSA-N 429.864 4.296 5 20 IIBD CSc1ccc(C(=O)N(CC(=O)O)Cc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] 554101041 YJRXFRBHXXPHKT-UHFFFAOYSA-N 428.388 4.063 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](c2ccccc2)c2nc3ccccc3n2C)c1 558756080 XSTVIEYUBULLSN-JOCHJYFZSA-N 430.464 4.400 5 20 IIBD COc1cc([N+](=O)[O-])ccc1OC[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 559283135 MIANCUQQJRTIGX-FQEVSTJZSA-N 445.418 4.428 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CN[C@H](c3cncc(Br)c3)C3CC3)n2)cc1 560176100 ZOTUPVSFNGPXKK-KRWDZBQOSA-N 430.262 4.043 5 20 IIBD COc1cccc(C(Nc2nc(O)c3cc([N+](=O)[O-])ccc3n2)c2cccc(OC)c2)c1 561262145 MUPMEZDPIVVGRW-UHFFFAOYSA-N 432.436 4.462 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)cc1SC 568440975 VYBDGNOZHQYHLX-DOTOQJQBSA-N 438.452 4.333 5 20 IIBD Cc1cc(OCC(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)ccc1[N+](=O)[O-] 582188898 ONZSJJZBWXLVDP-UHFFFAOYSA-N 442.859 4.177 5 20 IIBD O=C([C@@H]1CCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1)N1CCCC1 582479495 JWGKKVKUPUNXDC-QGZVFWFLSA-N 429.904 4.485 5 20 IIBD CN(CCc1cccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCO1 583276112 MYIRGBLIZFEUIR-GOSISDBHSA-N 427.530 4.163 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Cl)ccc1OCCCOC 589558809 AFYFQOKNIYSXEA-UHFFFAOYSA-N 428.894 4.027 5 20 IIBD O=C(NCCCn1cccn1)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 603559650 INYFXBUWMFMQSK-UHFFFAOYSA-N 439.522 4.372 5 20 IIBD COc1ccc(F)cc1-c1csc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)n1 603758547 MOSRTVLLHNCECI-UHFFFAOYSA-N 439.428 4.304 5 20 IIBD COc1ccccc1NC(=O)c1ccc(NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 603822640 LMTLURWZNUMLCN-UHFFFAOYSA-N 434.452 4.215 5 20 IIBD CCOc1cc(CN(C)c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)ccc1OC(F)F 603943928 PGIKFLNZBFCNKR-UHFFFAOYSA-N 449.454 4.467 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 603981212 TXVOKSQUFVQPKH-UHFFFAOYSA-N 436.383 4.121 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCCc2cc(Br)ccc21 603985441 ZDEZOANOANJOQR-UHFFFAOYSA-N 431.695 4.152 5 20 IIBD COc1cc(C(=O)Nc2cc(-c3nc(C)no3)ccc2C)c([N+](=O)[O-])cc1OC(F)F 603987710 QRFYBONKGLEERP-UHFFFAOYSA-N 434.355 4.124 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(Cn2cccn2)cc1 604460599 FRUYZANXJZGROG-UHFFFAOYSA-N 448.405 4.092 5 20 IIBD O=C(Nc1cccc(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)c1)c1ccc(F)cc1 604533027 TUUPNZNSHHVZLG-UHFFFAOYSA-N 437.427 4.047 5 20 IIBD COc1cc(CCNC(=O)[C@@H](C)c2c(Cl)cccc2Cl)c([N+](=O)[O-])cc1OC 604571598 LIZJZPOWJCNIMM-NSHDSACASA-N 427.284 4.381 5 20 IIBD COc1cc(CCNC(=O)N2CCC[C@H](c3ccccc3)CC2)c([N+](=O)[O-])cc1OC 608999960 VULBCNBVKALKCD-SFHVURJKSA-N 427.501 4.134 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cc(Cl)ccc1C(=O)N1CCCCC1 609058137 WDMGGCXIJWGKKR-UHFFFAOYSA-N 430.892 4.315 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N(Cc1ccc2c(c1)OCO2)C1CCCC1 609761976 UQGKLQYTXIOHGQ-UHFFFAOYSA-N 435.436 4.162 5 20 IIBD O=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1Br 610044568 YRMDHIHZTJUSPT-CYBMUJFWSA-N 439.237 4.307 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)NCCc1cccc([N+](=O)[O-])c1 611147777 ZHEWJCBGMMZRDZ-UHFFFAOYSA-N 426.448 4.206 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)C1CCN(C)CC1 611214525 UFNXRNXIHZEWKX-HNNXBMFYSA-N 430.936 4.320 5 20 IIBD O=C1CCCN1C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)c1cccc(C(F)(F)F)c1 611379225 HGYPVIVQOLUWEI-KRWDZBQOSA-N 448.401 4.208 5 20 IIBD O=C(c1cc(C(=O)N2CC[C@@H](c3ccco3)C2)cc([N+](=O)[O-])c1)N1CC[C@H](c2ccco2)C1 613130723 CMYXFSPTXJMJKB-CALCHBBNSA-N 449.463 4.040 5 20 IIBD Cc1ccc(-c2csc(NC(=O)c3nn(-c4ccccc4)c(C)cc3=O)n2)cc1[N+](=O)[O-] 619729598 ATDBYDWRDLTYMN-UHFFFAOYSA-N 447.476 4.133 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)Nc1ccccc1Cl 725986260 VEWRUKNZDQHYRY-SECBINFHSA-N 427.638 4.195 5 20 IIBD Cc1sc(NC(=O)C2CCN(C(=O)OCC(C)C)CC2)nc1-c1cccc([N+](=O)[O-])c1 726144583 QONMAIUNUHNVMQ-UHFFFAOYSA-N 446.529 4.470 5 20 IIBD COc1ccc(CC(=O)OCc2c(Cl)nc(Cl)n2-c2ccccc2)cc1[N+](=O)[O-] 727665173 ISVUSLHGMSRZCX-UHFFFAOYSA-N 436.251 4.382 5 20 IIBD COc1ccc(CC(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1[N+](=O)[O-] 727674839 FYWKXMONCJGKHP-UHFFFAOYSA-N 440.843 4.085 5 20 IIBD C[C@H]1CCc2c(sc3nc(CCC(=O)OCc4c(F)cccc4[N+](=O)[O-])nc(O)c23)C1 728987238 BCEJQLULWUGRFJ-NSHDSACASA-N 445.472 4.245 5 20 IIBD O=C(OCc1cn2cc(Cl)cc(Cl)c2n1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 729792394 JZPSYNACJHFWGB-UHFFFAOYSA-N 432.223 4.092 5 20 IIBD O=C(COC(=O)Cc1ccccc1[N+](=O)[O-])Nc1cccc(CSc2ccccn2)c1 733384577 WVEBPJGVZJNQDQ-UHFFFAOYSA-N 437.477 4.007 5 20 IIBD COc1cc(C(=O)N[C@H](c2ccccc2)C2CCOCC2)c([N+](=O)[O-])cc1OC(F)F 734349387 FOSUGIMXHRCXRM-LJQANCHMSA-N 436.411 4.103 5 20 IIBD C[C@H]1C[C@H](c2ccccc2F)N(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)C1 742422878 ONVVJXVCNLYTIF-MGPUTAFESA-N 433.505 4.106 5 20 IIBD Cc1c(C(=O)O[C@H]2CCCN(c3ccccc3Cl)C2=O)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 744899208 RIJRFEBXRKPCGO-KRWDZBQOSA-N 447.831 4.126 5 20 IIBD C[C@@H](OC(=O)CCc1cccc(F)c1F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 750255108 DYUVZPARQXIPRA-SNVBAGLBSA-N 446.328 4.395 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 751421349 RUNJXDKSOZDQQX-VQTJNVASSA-N 442.516 4.470 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 753216670 UEPDNUOVCJKCRE-CYBMUJFWSA-N 431.370 4.497 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)OCc1nc(-c2c(F)cccc2F)cs1 753472367 BNPHUOHEQLRQER-UHFFFAOYSA-N 430.392 4.090 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2c[nH]nc2-c2ccccc2Cl)cccc1[N+](=O)[O-] 756607260 XLHAGOUUWWCTOW-GFCCVEGCSA-N 428.832 4.131 5 20 IIBD Cc1cc(Br)cc([N+](=O)[O-])c1OCc1cc([N+](=O)[O-])cc2c1OCOC2 759712943 FFBLXRMGSWTIQP-UHFFFAOYSA-N 425.191 4.019 5 20 IIBD Nn1c(SCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)nnc1-c1cccc(Cl)c1 760293127 YCMJNYWCJQAUNY-UHFFFAOYSA-N 428.861 4.168 5 20 IIBD Cc1c(Br)cccc1COC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 761370891 GGHUOKZZQVAURA-UHFFFAOYSA-N 449.257 4.097 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)Nc1cc(C2CC2)nn1-c1ccccc1 763725015 RGSJRSXPZQGXAV-UHFFFAOYSA-N 440.843 4.107 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)Nc1cc(C)ccc1C 763808927 CJUCIBXNGXLCQO-OAHLLOKOSA-N 432.498 4.134 5 20 IIBD CC(C)C(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 766226957 REMXBEREGCWCGW-AWEZNQCLSA-N 435.436 4.166 5 20 IIBD CC1(C2CCN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)CC2)OCCO1 768232809 SJKXLFRCCVENKK-UHFFFAOYSA-N 428.510 4.361 5 20 IIBD CCC(CC)n1nccc1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 770195541 VFUXIAVBHDEGMI-NSHDSACASA-N 442.394 4.355 5 20 IIBD CC(=O)c1ccc(OCCCC(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)cc1 773345773 IJUNUTCJGGVDMH-UHFFFAOYSA-N 436.258 4.462 5 20 IIBD C[C@H](OC(=O)c1sc(Br)cc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1 773597685 JPWIUQKFJDULSI-ZETCQYMHSA-N 433.667 4.256 5 20 IIBD C[C@@H](CCS(C)(=O)=O)OC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 774822401 AJGCTMIJGRKSCH-LBPRGKRZSA-N 443.930 4.379 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](Sc1nc2cncnc2[nH]1)c1ccccc1 775235035 RFGBCBQPHCFCOM-INIZCTEOSA-N 440.872 4.387 5 20 IIBD C[C@H](OC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1cc2ccccc2o1 778171967 RBMNBYDAQCLRIE-OLZOCXBDSA-N 432.379 4.242 5 20 IIBD COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 778208820 TUZQCWJXUBOQQZ-UHFFFAOYSA-N 430.766 4.082 5 20 IIBD CN(C[C@H]1CCCC[C@@H]1O)C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 778501382 MFGRZYVLWNHBOP-VLIAUNLRSA-N 445.903 4.124 5 20 IIBD Cc1cc(C(=O)O[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)nc(-c2ccc(Cl)cc2)n1 778795911 YCCWWELAJJXQIY-LJQANCHMSA-N 438.871 4.449 5 20 IIBD CCC[C@@H]1C[C@H](C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 780167053 VNGWKSRZNSJWCH-YRGRVCCFSA-N 432.395 4.079 5 20 IIBD O=C(NCc1ccc(-n2ccnc2)cc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 782931824 GLKHDEPBDYIPLY-UHFFFAOYSA-N 428.448 4.290 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 783330051 JXKYDVJQHNJPAE-IBGZPJMESA-N 427.819 4.232 5 20 IIBD Cc1ccc(C)c(NC(=O)COC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 783334721 FGIXJIDSTWKJOM-UHFFFAOYSA-N 425.485 4.243 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 784440408 HZLXBFWTMDOITC-NRFANRHFSA-N 437.562 4.474 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)O[C@@H](C)c2cccnc2)cc1 785514266 DHXAZYDVPNEBGC-HNNXBMFYSA-N 441.465 4.017 5 20 IIBD COc1cc(Cl)c(C(=O)COc2cc([N+](=O)[O-])ccc2Br)cc1OC 786746243 RUFPSCCVUFQSQJ-UHFFFAOYSA-N 430.638 4.290 5 20 IIBD Cc1sc(CCNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)nc1-c1ccccc1 791216478 CEMYYKKQDQUTOH-UHFFFAOYSA-N 428.489 4.204 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ncccc2Br)cc1)c1cccc([N+](=O)[O-])c1 792873958 QGQMYKRUJIEVEI-UHFFFAOYSA-N 442.225 4.224 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)Nc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)cc1[N+](=O)[O-] 793060981 DDBGDPIMXQKDMG-KXBFYZLASA-N 436.512 4.458 5 20 IIBD Cc1ccc(NC(=O)Cc2noc(-c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)n2)cc1 795697223 NQYYWPFNOFQPCC-UHFFFAOYSA-N 435.484 4.371 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 799779641 CSJITJWYRDPKMJ-OAHLLOKOSA-N 437.562 4.474 5 20 IIBD CCn1c(SCC(=O)OCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Cl)cc1 800839574 JAVSUYJHBCABGS-UHFFFAOYSA-N 432.889 4.362 5 20 IIBD Cc1cc(=O)oc2cc(N(C)C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)ccc12 805355471 VCWUAZTXQGZOEH-UHFFFAOYSA-N 435.205 4.188 5 20 IIBD COC(=O)c1cc(Br)c(OC)cc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 809251386 UFFDQMMSFZEOMI-UHFFFAOYSA-N 443.637 4.058 5 20 IIBD C[C@@]12CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)C[C@@H]1C2(Cl)Cl 809844876 YZBRBNNFYOFMDX-NWDGAFQWSA-N 434.128 4.106 5 20 IIBD CS(=O)(=O)c1cccc(Cl)c1C(=O)OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811172048 KTSXWHMQXLZQSE-UHFFFAOYSA-N 438.672 4.316 5 20 IIBD C[C@@H](Cc1cnc2ccccc2n1)C(=O)OCc1ccc([N+](=O)[O-])cc1Br 815462423 SWMAKSNGWJOKTJ-LBPRGKRZSA-N 430.258 4.223 5 20 IIBD COc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 815512156 KEXSHFKMSFZLON-VIFPVBQESA-N 446.765 4.460 5 20 IIBD CCOC(=O)C1=C(C)N([C@H](C)CC)C(=O)N[C@@H]1c1ccc(Br)c([N+](=O)[O-])c1 839950362 QBZXHRIQLSJJFR-QLJPJBMISA-N 440.294 4.059 5 20 IIBD CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)OC(=O)CSc1ccccc1[N+](=O)[O-] 856204049 VGZQRUKOFZXYPU-ZDUSSCGKSA-N 442.449 4.206 5 20 IIBD C[C@@H](OC(=O)c1ccc(OCC(F)(F)F)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 914987840 WDNRPGLPUJKYAE-SNVBAGLBSA-N 446.765 4.373 5 20 IIBD C[C@H]1CN(Cc2ccccc2NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)C[C@@H](C)O1 916448468 OTWMDWPVQQWKPM-OKILXGFUSA-N 448.317 4.219 5 20 IIBD COc1ccc([C@@H]2CCCCCN2C(=O)COC(=O)c2c(C)cccc2[N+](=O)[O-])cc1 918921835 WNZLYNSBHXENRV-IBGZPJMESA-N 426.469 4.213 5 20 IIBD C[C@H](NC(=O)COC(=O)CCOc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 919491920 YRHZFVQXQNUMFR-LBPRGKRZSA-N 441.267 4.091 5 20 IIBD CC(C)[C@@H](OC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)C(=O)NC(C)(C)C 920548795 TWMKGXQYQXLWMK-FOIQADDNSA-N 442.516 4.259 5 20 IIBD Cc1cc(C(=O)OCC(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc([N+](=O)[O-])c1 920906237 SUQMUZCQHRZREH-JOCHJYFZSA-N 436.489 4.296 5 20 IIBD COc1ccc(C)cc1-n1ccc(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1 920911042 VZVOYHXWBPACST-CQSZACIVSA-N 449.423 4.066 5 20 IIBD C[C@@H](OC(=O)c1cccc(COc2cccc(C=O)c2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 1116005647 LOUGYFPTCPFJQW-MRXNPFEDSA-N 448.431 4.170 5 20 IIBD CCOc1ccc(C(=O)O[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)cn1 1317976833 MCCYICVHPHXQFV-NRFANRHFSA-N 435.436 4.234 5 20 IIBD CCn1c(COc2ccc(C)cc2)nn(CN2Cc3ccc([N+](=O)[O-])cc3C2)c1=S 1319748781 ARACFQBGXSZULV-UHFFFAOYSA-N 425.514 4.203 5 20 IIBD CC(=O)N1CCN(c2ccc(-c3nnc(-c4cccc5ccccc45)o3)cc2[N+](=O)[O-])CC1 1322520015 DQEMFBLEZUPEAP-UHFFFAOYSA-N 443.463 4.134 5 20 IIBD COc1ccc(C(=O)C2CCN(c3ncnc4c(Cl)cc([N+](=O)[O-])cc34)CC2)cc1 1323600786 WVMWQEVLCOCOAD-UHFFFAOYSA-N 426.860 4.299 5 20 IIBD C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1N)c1ccc(-c2ccncc2)cc1 1344707223 PLZCVKDUJSICRH-GFCCVEGCSA-N 441.285 4.493 5 20 IIBD Cc1ccc(-c2nnc(N3CCc4c(Br)ccc([N+](=O)[O-])c4C3)n2C)cc1 1519542368 HNYAFQRESNERCG-UHFFFAOYSA-N 428.290 4.024 5 20 IIBD O=C(NC1(c2ccc(NC(=O)C3CC(F)(F)C3)cc2)CCC1)c1ccc(O)c([N+](=O)[O-])c1 1785909607 WXHLHNPQNAVNNF-UHFFFAOYSA-N 445.422 4.093 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(O)c([N+](=O)[O-])c4)CCC3)cc2)o1 1786493944 MGBAFHKUGXUXGP-UHFFFAOYSA-N 435.436 4.263 5 20 IIBD O=C(NC1(c2ccc(NC(=O)C3CCC3)cc2)CCC1)c1cc([N+](=O)[O-])cc2c1OCC2 1787606618 SQTUZHREMIHWTL-UHFFFAOYSA-N 435.480 4.078 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])NC1(c2ccc(NC(=O)C3CCOCC3)cc2)CCC1 1787811017 DTPAASREYALFAO-IZZDOVSWSA-N 449.507 4.169 5 20 IIBD O=C(CC1CCCC1)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3cccc([N+](=O)[O-])c3)CCC1)C2 1795412552 PMQGZOMQRAJLOT-WKCHPHFGSA-N 439.556 4.235 5 20 IIBD Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccs2)C3)cc(Cl)cc1[N+](=O)[O-] 1800710109 SECGBHKNFQAXFG-QDMKHBRRSA-N 433.917 4.184 5 20 IIBD CC(C)[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C3)CC1 1801817552 XDBKGGLYPAOIGZ-YCEIQTCASA-N 445.535 4.448 5 20 IIBD Cc1cc(C)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(F)c2[N+](=O)[O-])C3)c(C)c1 1803567490 SAZDWJLPYQQDPC-BCDXTJNWSA-N 439.487 4.225 5 20 IIBD CC(C)Cc1ccc(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C3)cc1 1845465829 ZMSGTTWJYUEZIU-OUKQBFOZSA-N 447.535 4.324 5 20 IIBD COc1cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])ccc1OCC(C)C 9535968 NRCXYJGDSWNRNG-UHFFFAOYSA-N 436.848 4.087 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2cc3c(s2)-c2ccccc2CC3)c([N+](=O)[O-])c1 9814952 KXAPGIJVPHLSOD-UHFFFAOYSA-N 438.461 4.226 5 20 IIBD CCn1c(S[C@@H](C)C(=O)NC(=O)Nc2ccccc2)nc2cc3ccccc3cc2c1=O 11061492 LCQQHMAUWLLVOD-HNNXBMFYSA-N 446.532 4.399 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1[N+](=O)[O-] 14376177 ARTSTVIYOXZGCW-KRWDZBQOSA-N 438.402 4.355 5 20 IIBD Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 16235281 DBABNLXLHMAYOI-UHFFFAOYSA-N 446.916 4.434 5 20 IIBD Cc1c(-c2ccccc2)sc2ncn(CC(=O)Nc3cc([N+](=O)[O-])ccc3F)c(=O)c12 17130354 CQVJESFIGOATOZ-UHFFFAOYSA-N 438.440 4.119 5 20 IIBD C[C@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 22173153 UNBHJOGBAUSEFA-VIFPVBQESA-N 448.555 4.263 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])N(C[C@H]1CCCO1)c1nc2ccccc2s1 22475317 DPCGSLSYQNIPBZ-OAHLLOKOSA-N 426.498 4.219 5 20 IIBD Cc1ccc(-c2csc3ncn(CC(=O)Nc4cc([N+](=O)[O-])ccc4C)c(=O)c23)cc1 22984056 OQMOKPGSTAIDNM-UHFFFAOYSA-N 434.477 4.289 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCCc2ccc(-c3csc(C)n3)s2)cc1OC 25945248 BEJJABWISGZETN-UHFFFAOYSA-N 447.538 4.468 5 20 IIBD O=C(COC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)Nc1cc(F)ccc1F 28612795 PEPORXMJDOHMME-UHFFFAOYSA-N 441.390 4.281 5 20 IIBD NC(=O)c1cccc(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c1 29142522 UHIKHHXRXAVXKA-UHFFFAOYSA-N 425.828 4.069 5 20 IIBD CCOc1cc(Br)c(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1OCC 29890023 HSWJKBMNGMYAIA-UHFFFAOYSA-N 449.301 4.287 5 20 IIBD O=C(c1cccc2cccnc12)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 32521542 RKQTWJUQSANUTH-UHFFFAOYSA-N 430.386 4.124 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 58100001 BUGCQMJZJWBURW-UHFFFAOYSA-N 443.456 4.201 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 195535117 XNCMOVUKGCNHHC-INIZCTEOSA-N 438.267 4.154 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C 195711704 MHILNLYHFKFDSD-UHFFFAOYSA-N 437.500 4.219 5 20 IIBD O=c1c(Cl)c(N2CC[C@H](Oc3ccccc3Cl)C2)cnn1-c1ccc([N+](=O)[O-])cc1 301780302 RMLSHCPTSPYINL-HNNXBMFYSA-N 447.278 4.105 5 20 IIBD COc1ccc(N(Cc2ccccc2)C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)cc1 303383051 MAXCGDJLURGHNW-UHFFFAOYSA-N 429.436 4.031 5 20 IIBD CC(C)(CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1Cl 303618255 PFHFHEMXPHJOAO-UHFFFAOYSA-N 428.247 4.073 5 20 IIBD O=C(Nc1ccc(F)cc1I)c1c[nH]c2cc([N+](=O)[O-])ccc12 426873282 AUXSVPXRSHCUKQ-UHFFFAOYSA-N 425.157 4.072 5 20 IIBD Cc1cccc2nc(CNC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])n(C)c12 427145716 ZTCXTBILTWISRL-UHFFFAOYSA-N 430.464 4.299 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1CN(C)C(=O)c1cccs1 427607708 USTAKDAKIZEFCI-UHFFFAOYSA-N 425.466 4.189 5 20 IIBD CCC(C)(C)OCc1cccc(NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)c1C 427912457 GWMJBTXWCKYLPO-UHFFFAOYSA-N 427.457 4.155 5 20 IIBD CCN([C@@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 431839641 FJHRVEOVVJWGBN-FQEVSTJZSA-N 429.473 4.238 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H]1c1nc2ccccc2s1 433955480 OBHFMXBRVAIASH-QGZVFWFLSA-N 426.498 4.379 5 20 IIBD Cc1nn(CCC(=O)N2CCc3ccccc3[C@H](c3ccccc3)[C@@H]2C)c(C)c1[N+](=O)[O-] 435363703 VAQJCCMDNKXRHA-UUOWRZLLSA-N 432.524 4.404 5 20 IIBD O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 436080146 DGGQAVQIYGCINF-GOSISDBHSA-N 429.495 4.215 5 20 IIBD CCO[C@@H](C)c1noc(CN(C)C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])n1 441064552 PTTXETPSJFPOIJ-AWEZNQCLSA-N 442.497 4.499 5 20 IIBD Cc1cccc(N2CCC(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)CC2)n1 444038320 YBYLYVJPTGUONB-UHFFFAOYSA-N 448.473 4.062 5 20 IIBD CN(Cc1ccccc1)[C@@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C1CC1 444345385 UTGIKCNDJQGBCD-VWLOTQADSA-N 425.532 4.322 5 20 IIBD O=C(CCSc1ccnc2cc(Cl)ccc12)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444643359 ZEWRVKMQVOEXMT-UHFFFAOYSA-N 441.900 4.471 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N[C@@H]1CCOc2c(-c3ccccc3)cccc21 445029832 GUZOWCBKNWMNKR-LJQANCHMSA-N 443.463 4.461 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(C[S@](=O)Cc3ccn(-c4ccccc4F)n3)co2)cc1 445543079 XPBPOOVIXPGOQD-SSEXGKCCSA-N 426.429 4.024 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]1c1ccc2c(c1)OCCO2 445764875 HCAZOFHGYNQYIC-KRWDZBQOSA-N 447.285 4.035 5 20 IIBD COc1ccc(C(=O)Nc2cccc(CNCc3nc4ccc([N+](=O)[O-])cc4[nH]3)c2)cc1 446846753 DKGACYGGYQKIBG-UHFFFAOYSA-N 431.452 4.022 5 20 IIBD CCOc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)cc1[N+](=O)[O-] 460346994 KZIXKIJJGOICEN-UHFFFAOYSA-N 449.394 4.186 5 20 IIBD O=C(Nc1ccc2c(c1)COC2)c1cc(C(=O)Nc2ccc3c(c2)COC3)cc([N+](=O)[O-])c1 461080993 FBAIDAXWMYGQMQ-UHFFFAOYSA-N 445.431 4.160 5 20 IIBD CC(C)c1ccc(CC2CCN(C(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)CC2)cc1 462799961 AAKNHFAUJYFHHY-UHFFFAOYSA-N 444.553 4.217 5 20 IIBD CN(CCc1cccc(Br)c1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 462851144 KBGLHKFWHGQREA-UHFFFAOYSA-N 429.217 4.273 5 20 IIBD C[C@H](c1ccsc1)N1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC1 463037769 NOFNJFHAJGPDCZ-CYBMUJFWSA-N 443.447 4.116 5 20 IIBD O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 470127436 ZABGPUTXAWVTMY-UHFFFAOYSA-N 438.818 4.409 5 20 IIBD C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1cc2cccc(F)c2o1 475757188 QRBPPABWYFVDFK-RISCZKNCSA-N 431.445 4.024 5 20 IIBD Cc1nc2ccccc2n1C1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 477395939 DKGCBIGAGKMALN-UHFFFAOYSA-N 433.512 4.330 5 20 IIBD C[C@H](CCc1ccc(I)cc1)NC(=O)c1ccc(F)cc1[N+](=O)[O-] 477661450 FIKBFSUGRDVZNN-LLVKDONJSA-N 442.228 4.090 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)cc1SC 480998844 JPWNNWBENDTTIA-NSHDSACASA-N 439.896 4.127 5 20 IIBD CCCc1nnc(Sc2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2[N+](=O)[O-])o1 482011591 YFKCXGKMVVXDMT-UHFFFAOYSA-N 448.526 4.297 5 20 IIBD CCS[C@@H](C)c1noc(CN(C)c2cc(CC)nc(-c3ccc([N+](=O)[O-])cc3)n2)n1 482075972 CFHNAXPKKNKWGC-ZDUSSCGKSA-N 428.518 4.448 5 20 IIBD O=C([C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1CCC[C@H](c2ccc(F)cc2)CC1 484031103 FCCWWKHNWUCAQX-MAUKXSAKSA-N 445.516 4.196 5 20 IIBD O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1cccnc1OCc1ccccc1F 484035845 HMCYCVQVCACBDF-UHFFFAOYSA-N 433.399 4.350 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CSc1nnc(-c2ccncc2)n1CC(F)(F)F 485383085 URIZRNLSOPMVKR-UHFFFAOYSA-N 425.392 4.112 5 20 IIBD CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cc1I)c1ccc(F)cc1 485839615 CNSQIICZJWTYLC-UHFFFAOYSA-N 442.228 4.046 5 20 IIBD CCCNC(=O)C1CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 486843720 IKFWQLYGYUTELF-UHFFFAOYSA-N 427.526 4.124 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@H](c2ccco2)c2ccccc2OC)c(C)c([N+](=O)[O-])c1 486865574 HDNSHJWKAWRAAY-FQEVSTJZSA-N 439.424 4.203 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(Cc3nc(-c4cc(F)c(F)c(F)c4)no3)CC2)cc1 487397516 UCHIAXAYOVIRJF-UHFFFAOYSA-N 434.374 4.106 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 488253114 RDZASVYXYFQCCU-UHFFFAOYSA-N 449.916 4.131 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)cc1[N+](=O)[O-] 489552981 PCJVGTUXAQVWNX-WMLDXEAASA-N 430.892 4.112 5 20 IIBD Cc1nc2[nH]c(SCc3nc(-c4ccc([N+](=O)[O-])cc4)no3)nc2cc1Br 489803697 FAEXXQJOZSDRHK-UHFFFAOYSA-N 447.274 4.279 5 20 IIBD CC(C)(C)OC(=O)c1ccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c(F)c1 490958109 GNUBRORAZZDMSV-UHFFFAOYSA-N 426.404 4.127 5 20 IIBD COc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)C3CCCC3)c2)cc([N+](=O)[O-])c1C 491036676 YYNUCVORAZVCRV-UHFFFAOYSA-N 432.498 4.189 5 20 IIBD CCS(=O)(=O)Nc1ccc([C@H](C)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 494495248 MTNGGSRDYOACQQ-LBPRGKRZSA-N 431.436 4.226 5 20 IIBD O=C(CN[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)Nc1ccc(Cl)cc1[N+](=O)[O-] 494497589 XHNHHUHNTJEYGS-QAPCUYQASA-N 428.247 4.099 5 20 IIBD COc1ccc(I)c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 497323782 WZPAWJXYYCRTGZ-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD CC[C@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@@H](O)C(F)(F)F 498580337 YQPLRBGWVPUSFY-XJKSGUPXSA-N 432.782 4.472 5 20 IIBD CSc1ccc(C(=O)N2CCO[C@H](c3cccc(Br)c3)C2)cc1[N+](=O)[O-] 500262538 ZHDNTZAZPMEWMC-INIZCTEOSA-N 437.315 4.293 5 20 IIBD Cc1c(NC(=O)[C@H](C)N2CCO[C@H](c3cccc(Br)c3)C2)cccc1[N+](=O)[O-] 500607025 KRXHMLSKZCKOSR-LIRRHRJNSA-N 448.317 4.066 5 20 IIBD COc1ccccc1-c1ccc([C@@H](C)NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])cc1 500951432 DZDMCDBPANATQF-QGZVFWFLSA-N 440.521 4.494 5 20 IIBD Cn1cc(C(=O)N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 502114411 DNSHFYHCCSRAMK-HNNXBMFYSA-N 449.442 4.295 5 20 IIBD COc1ccc(Br)cc1[C@H]1CCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 504874787 FJEJNCWIKNSXNR-MRXNPFEDSA-N 445.273 4.220 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])NCc1cc(Br)ccc1OC(F)F 504940869 AWFXQMJMTVECLA-UHFFFAOYSA-N 445.216 4.044 5 20 IIBD CCOc1cc(NC(=O)NCC2(c3ccccc3)CCOCC2)c([N+](=O)[O-])cc1OCC 505075629 HYSGDHRIZXDBNB-UHFFFAOYSA-N 443.500 4.262 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCC[C@H]2C(=O)Nc3ccccc32)cc1[N+](=O)[O-])c1ccccn1 505997303 UIYAHTJZTYDNLZ-CRAIPNDOSA-N 445.479 4.019 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2cccc(C(=O)N(C)C)c2)cc1[N+](=O)[O-])c1ccccn1 506164010 JEXBGXQAOKNLQH-HNNXBMFYSA-N 433.468 4.117 5 20 IIBD O=C(CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)Nc1cccc2ccccc12 506641312 FQPBGIBNZBCSOR-UHFFFAOYSA-N 432.461 4.240 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 506682673 XOIXPMLCGMDZEY-UHFFFAOYSA-N 430.675 4.195 5 20 IIBD C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[S@@](=O)CCC(=O)Nc1ccccc1[N+](=O)[O-] 507679922 ZRJZEFJKQBWFLO-SSUCQYSQSA-N 448.888 4.137 5 20 IIBD O=C(NC1(c2nc[nH]n2)CCC1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 507884265 DVIXPKNHMVDODE-UHFFFAOYSA-N 429.889 4.327 5 20 IIBD O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CC[C@@H](OCc2ccncc2)C1 509072260 UJRBXOBJGLJLMH-OAQYLSRUSA-N 433.464 4.000 5 20 IIBD COc1cc(C(=O)N2CCc3cccc(C)c32)c([N+](=O)[O-])cc1OCc1cscn1 512184906 ZETICXRNSLFBCZ-UHFFFAOYSA-N 425.466 4.150 5 20 IIBD COc1cc(C(=O)Nc2cc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)ccc2C)ccc1[N+](=O)[O-] 513752422 SKVKSNYTOLMJSS-GASCZTMLSA-N 425.485 4.282 5 20 IIBD COc1cc(C(=O)Nc2ccc(CC(=O)N(C)c3ccccc3)cc2)c([N+](=O)[O-])cc1OC 515691657 VTLGHFIDZGGPBG-UHFFFAOYSA-N 449.463 4.070 5 20 IIBD CCN(CC)C(=O)CCCNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 517692018 BSICMLHVKFMQQY-UHFFFAOYSA-N 433.892 4.419 5 20 IIBD Cc1ccc(NC(=O)C(=O)NCc2nc(-c3ccc(Cl)cc3)c(C)s2)cc1[N+](=O)[O-] 518535892 RSRDTCVKNCQVPP-UHFFFAOYSA-N 444.900 4.243 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1OC 520000109 YJVDGZZXPFHFRN-ZDUSSCGKSA-N 442.447 4.126 5 20 IIBD CC(C)[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 521267946 GYSZNZVPLMJMTJ-RNODOKPDSA-N 434.876 4.300 5 20 IIBD Cc1cc(C(=O)NC2CCCC2)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 521328594 CFFVGNJNOYHRQB-UHFFFAOYSA-N 437.905 4.030 5 20 IIBD Cc1nc(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)nc2ccccc12 522544150 VYEAQJJCKXBRMB-MRXNPFEDSA-N 442.479 4.345 5 20 IIBD O=C(NCc1ccc(CN2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1Br 524144806 LZKQYXKSKDCDQX-UHFFFAOYSA-N 432.318 4.273 5 20 IIBD CN(c1ccccc1)c1ccc(CNCC2(N3CCCCC3)CCOCC2)cc1[N+](=O)[O-] 524640639 YQQSFCQANNNKGL-UHFFFAOYSA-N 438.572 4.487 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)Nc2c(-c3ccc(Br)cc3)nc(C)n2C)c1 525551292 IJMVYXHAAUXEHY-UHFFFAOYSA-N 445.273 4.327 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cccc(NC(=O)CN2CCCCCC2)c1 533959285 BTSUTKNOFXJIOR-UHFFFAOYSA-N 449.511 4.072 5 20 IIBD CS(=O)(=O)c1ccc(NCCc2csc(-c3ccc(Cl)cc3)n2)c([N+](=O)[O-])c1 536156061 YEISHUGQOFVILD-UHFFFAOYSA-N 437.930 4.430 5 20 IIBD CN(C(=O)CCCNC(=O)c1ccc(F)cc1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 537150170 HFSXERDZBFTZOA-UHFFFAOYSA-N 442.472 4.030 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nnc(N(C)C)o2)cc1 538259129 AFGQXNRALIEXBS-UHFFFAOYSA-N 427.486 4.464 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)c1 538375231 VVJWHUFKRKVCKO-UHFFFAOYSA-N 444.491 4.387 5 20 IIBD COc1ccc(NC(=O)CN[C@H](C)c2ccccc2OCc2ccccc2)c([N+](=O)[O-])c1 540433807 YLQZZHRXZZKVQU-QGZVFWFLSA-N 435.480 4.472 5 20 IIBD CC(C)[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 541330482 SEGJDKQQZGNOLJ-GOSISDBHSA-N 430.448 4.374 5 20 IIBD COc1ccc([C@@H](CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)N2CCCCC2)cc1 541582307 LCYUJGXGXZTUTR-KSFYIVLOSA-N 429.492 4.189 5 20 IIBD COC(=O)C[C@H](NC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 542031935 JMUIOASDTNWGHJ-AWEZNQCLSA-N 441.362 4.048 5 20 IIBD COCCOc1ccc(C(F)(F)F)cc1NC(=O)CSc1ccccc1[N+](=O)[O-] 542199661 UUFWKHMACKTLSE-UHFFFAOYSA-N 430.404 4.370 5 20 IIBD CC(=O)c1cc(Br)cc(F)c1OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 542218172 LLAYHTOUNOGZEK-UHFFFAOYSA-N 436.193 4.328 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc(CC(=O)N(C)c2ccccc2)cc1 542350124 QEFAVFOMCPUSPP-UHFFFAOYSA-N 448.479 4.131 5 20 IIBD C[C@H](C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1F 542553957 QAORTWXVJGVVFA-AWEZNQCLSA-N 441.425 4.447 5 20 IIBD O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 542888166 PWBIEDHCJYSPPS-LBPRGKRZSA-N 435.358 4.496 5 20 IIBD COC(=O)[C@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)Cc1ccc2ccccc2c1 543586242 FMZQDDLHCHXVLF-KXBFYZLASA-N 438.455 4.139 5 20 IIBD O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(F)cc2Br)cc1C(F)(F)F 543856498 JECVXOPSICWMOS-UHFFFAOYSA-N 443.172 4.316 5 20 IIBD CCOc1ccc(NC(=O)CN[C@H](CC)c2nc(C(F)(F)F)cs2)c([N+](=O)[O-])c1 544453459 BYYLMKPYRKLYKB-LLVKDONJSA-N 432.424 4.148 5 20 IIBD CCn1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(=O)c2cc(Cl)ccc21 544658219 RDYCIGOUMKQQSC-UHFFFAOYSA-N 425.872 4.388 5 20 IIBD Cc1noc(C)c1CO[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)C1 545124687 ZXZKXWFHKKDLBN-QGZVFWFLSA-N 433.530 4.379 5 20 IIBD COCCOc1ccc(Cc2noc(-c3csc(-c4cccc([N+](=O)[O-])c4)n3)n2)cc1 545781004 DUQAHWGUBNPOGQ-UHFFFAOYSA-N 438.465 4.384 5 20 IIBD COc1ccc(-c2nc(C)c([C@@H](C)NS(=O)(=O)Cc3ccccc3[N+](=O)[O-])s2)cc1 546063635 LBIYZQVYHJTSOW-CQSZACIVSA-N 447.538 4.216 5 20 IIBD Cn1c(SCc2ncc(-c3cccc(Cl)c3)o2)nc2cc([N+](=O)[O-])ccc2c1=O 546548786 GGBVHYKBXPENTM-UHFFFAOYSA-N 428.857 4.442 5 20 IIBD COc1ccc(Br)c2[nH]c(-c3nc(Cc4ccccc4[N+](=O)[O-])no3)cc12 546952036 WKJRKFXSEIDJQS-UHFFFAOYSA-N 429.230 4.488 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCCCc1ccc(Br)cc1F 553587148 XONYVWYNKHDJLL-UHFFFAOYSA-N 438.297 4.313 5 20 IIBD Cc1nc2ccccc2n1C[C@@H]1CCCN1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 556914842 DFUCCHMPLHDGEN-NRFANRHFSA-N 430.512 4.318 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 557700219 IFYADLOEMPHOPN-BFUOFWGJSA-N 433.306 4.251 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1 558373057 RYKJFJHBEMXZBW-UHFFFAOYSA-N 437.456 4.216 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)c1 558754416 RKLFKXDBPFXWQM-UHFFFAOYSA-N 437.427 4.315 5 20 IIBD COc1cc(OC)cc(C(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)c1 580495005 MFHYYGUSBZVFQD-UHFFFAOYSA-N 434.408 4.310 5 20 IIBD Cn1ccnc1[C@H](N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1ccc([N+](=O)[O-])cc1 582411601 KGSPLXFYCMRAQA-FOIQADDNSA-N 429.883 4.079 5 20 IIBD CCOC(=O)C(C)(C)c1csc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)n1 583283941 ITFZXZYSBWYBOQ-UHFFFAOYSA-N 435.505 4.231 5 20 IIBD CC(C)(C)OC1CC(CCNCc2cc(I)cc([N+](=O)[O-])c2)C1 584201666 FNHMKJCPCBFXJU-UHFFFAOYSA-N 432.302 4.273 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](c2ccc(F)cc2F)C1 585762723 BAPSRUQQZYHOTP-QGZVFWFLSA-N 441.228 4.158 5 20 IIBD C[C@]1(C2CC2)NC(=O)N(c2cccc(CNc3ccc([N+](=O)[O-])cc3OC(F)F)c2)C1=O 588046276 SSNCYODVBAFXAG-OAQYLSRUSA-N 446.410 4.033 5 20 IIBD O=C(c1cc(Br)c2ccccc2c1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 590261683 IBCJFBHSMWRIRA-HNNXBMFYSA-N 441.285 4.232 5 20 IIBD CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)cc1[N+](=O)[O-] 601964401 PVRMGHMHVNZVCB-SFHVURJKSA-N 440.500 4.445 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H](c1ccccc1)N1CCSCC1 603684075 NURRGYYSVUJXDZ-KRWDZBQOSA-N 436.331 4.086 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2nc(-c3sc(C)nc3C)cs2)cc([N+](=O)[O-])c1 603769909 BXZWZXHFDAOWEW-UHFFFAOYSA-N 432.483 4.221 5 20 IIBD Cc1cc(CN(C)C(=O)COc2cccc([N+](=O)[O-])c2)cc(C)c1OCC(F)(F)F 604018496 NSIRJKFAEQGDFH-UHFFFAOYSA-N 426.391 4.190 5 20 IIBD C[C@H](NC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1cccc([N+](=O)[O-])c1 604126932 WABUJUHPVNMOCP-HNNXBMFYSA-N 436.434 4.202 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl 608928717 YKRWSUVKLKPDAH-UHFFFAOYSA-N 441.296 4.256 5 20 IIBD CCOCCCn1c(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)nc2ccccc21 609063125 ZEZWPEYHYFOLOZ-OAHLLOKOSA-N 428.514 4.490 5 20 IIBD COc1cc(C(=O)NC[C@@H]2CCCN(C)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 609383068 FSPYBQVUDKONOI-AWEZNQCLSA-N 433.892 4.121 5 20 IIBD CC[C@@H](C)[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 609447960 GNZMQXZYGAQNOL-VFNWGFHPSA-N 442.491 4.117 5 20 IIBD C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1C(F)(F)F 609501522 PVTQBMPSFPCMIA-BXUZGUMPSA-N 441.431 4.157 5 20 IIBD COc1ccc([C@@H]2CCCN2C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 609722237 LINPPRGUMQNFMD-KRWDZBQOSA-N 434.876 4.398 5 20 IIBD Cc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1OCCN1CCCC1 609887143 WPGKNKXIEUXBKV-UHFFFAOYSA-N 438.528 4.230 5 20 IIBD C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 610070587 MDBNBEQVXQOJQC-CYBMUJFWSA-N 438.311 4.159 5 20 IIBD O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)s1 610137642 SRLRFKVJGKDOOH-DENIHFKCSA-N 437.565 4.296 5 20 IIBD CCCN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@H]1C[C@H](OCC)C12CCCCC2 610192582 JQWNVXCNRZJIIR-SFTDATJTSA-N 441.532 4.156 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CNC[C@H](CO)Cc3c(F)cccc3Cl)cs2)c1 610271757 BSFCWJLIIKTPRQ-CYBMUJFWSA-N 435.908 4.452 5 20 IIBD Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc(C(F)(F)F)c1 617127024 JDRFQAUYBYBFOQ-ZDUSSCGKSA-N 427.404 4.227 5 20 IIBD CN(CC(=O)N(C)C1CCCCC1)C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 618804339 MJUJNYHCCSJAML-UHFFFAOYSA-N 439.512 4.037 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](c1ccc(Cl)cc1)c1cccs1 619477137 INKRRBUXNDAOOM-QGZVFWFLSA-N 438.914 4.386 5 20 IIBD C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(CN(C)Cc2ccccc2)CC1 727758523 AIWSEIVWGDSTIQ-KRWDZBQOSA-N 444.963 4.419 5 20 IIBD Cc1nc(CC(C)C)sc1C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 727916263 ZDXROIUFCXVNMM-LLVKDONJSA-N 425.894 4.396 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1cc(Cl)ccc1C(=O)N1CCCCC1 727988921 UYSIRFDNUHSHMR-UHFFFAOYSA-N 435.839 4.031 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)CSc1nnc(-c2cccs2)n1C1CC1 728641205 NVAALWSFBSUJMC-UHFFFAOYSA-N 446.510 4.094 5 20 IIBD O=C(Cc1ccccc1C(F)(F)F)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730703786 PAWJDGFGKPZUOW-HNNXBMFYSA-N 436.386 4.004 5 20 IIBD C[C@H](OC(=O)CO[C@H]1CCC[C@@H](C)C1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 733025528 XMYQCDYWGRTVFN-KEYYUXOJSA-N 447.513 4.184 5 20 IIBD CC(C)N(Cc1ncc(-c2ccc3c(c2)OCO3)[nH]1)C(=O)c1cc([N+](=O)[O-])ccc1Cl 733874430 DEFZMIGCILEJRN-UHFFFAOYSA-N 442.859 4.418 5 20 IIBD Cc1cccnc1[C@H](NC(=O)c1ccc(I)c([N+](=O)[O-])c1)C(C)C 734348146 OWJBKLYFCKXAIS-OAHLLOKOSA-N 439.253 4.030 5 20 IIBD O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 735699042 JTHCWHHHCSHRTM-MRXNPFEDSA-N 438.292 4.489 5 20 IIBD Cc1cc(Br)ccc1NC(=O)COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 736868007 ZVEISCCZFOAIAV-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD COc1cc(N2CCC(OC(=O)c3cn(C)nc3C3CCCCC3)CC2)ccc1[N+](=O)[O-] 739368851 FOZXIWHCRRXPRZ-UHFFFAOYSA-N 442.516 4.210 5 20 IIBD COc1cc(CN(C)C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c(SC)cc1OC 741205377 NUIOOVJVMSMHTQ-UHFFFAOYSA-N 449.485 4.131 5 20 IIBD CN(Cc1ccccc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C 742590794 OIVUMENDKMSLBN-UHFFFAOYSA-N 428.489 4.037 5 20 IIBD C[C@@H](OC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1nc(Cc2ccccc2)no1 745049670 FOULVCPDZVHUBW-CYBMUJFWSA-N 431.832 4.295 5 20 IIBD COc1ccccc1NC(=O)[C@H](OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)C 745567225 GGGVQCQNWYEDEC-QGZVFWFLSA-N 440.374 4.442 5 20 IIBD C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)N[C@@H](C)c1ccc(F)cc1 745567763 SGZUNGISOYKINH-QWRGUYRKSA-N 428.338 4.175 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 748695006 XVSUPMYRMJSHCM-UHFFFAOYSA-N 448.353 4.256 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N2CCC[C@H]2CC(C)C)cc1 748764551 LXDPQFPNFSKRFB-SFHVURJKSA-N 446.525 4.322 5 20 IIBD CSc1nnc(CCCNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)n1C1CCCC1 749265779 VMPDJLFTNZHGJK-UHFFFAOYSA-N 446.533 4.025 5 20 IIBD CCOc1cc(N2CCC(OC(=O)CCCc3csc(C)n3)CC2)ccc1[N+](=O)[O-] 750712044 CIRAOIUKIWXHFE-UHFFFAOYSA-N 433.530 4.293 5 20 IIBD CC(C)n1cnnc1SCC(=O)OCc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1 752218008 PVXQVTDVWWFLHY-UHFFFAOYSA-N 428.470 4.395 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CCC(c3cccc(F)c3)CC2)ccc1[N+](=O)[O-] 752405606 PEUDICUCNYMIDP-QFIPXVFZSA-N 439.487 4.053 5 20 IIBD CC[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@H](O)c1c(F)cccc1F 752615333 JILWMKLWOMGBNG-ACJLOTCBSA-N 430.860 4.247 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](N(C)c3ccc(C)cc3)C2)cc1SC 753051886 SCDGJUFNBOZSFP-KRWDZBQOSA-N 429.542 4.375 5 20 IIBD COc1cc(-c2nc(COC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)cs2)ccc1O 755059742 DLIMLHGFPPVWGK-LLVKDONJSA-N 432.429 4.419 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)OCc1nc2ccccc2n1C(F)F 755141027 ZFTVRGPUKLOPOX-UHFFFAOYSA-N 440.200 4.388 5 20 IIBD Cc1cc(C(=O)COC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c(C)n1CC(F)(F)F 758739706 XXDKVFJHQOVGHO-UHFFFAOYSA-N 437.374 4.025 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C 758876090 RTHOZSBZDVIHMR-INIZCTEOSA-N 441.484 4.121 5 20 IIBD O=C(O[C@H]1CCOc2cc(Cl)cc(Cl)c21)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 759200669 SSNZQWZPNLZBQG-HNNXBMFYSA-N 435.223 4.163 5 20 IIBD Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 760072366 QZBORMHITYXZIY-INIZCTEOSA-N 435.868 4.295 5 20 IIBD Cc1c(C(=O)N[C@@H]2[C@@H](C)CN(Cc3ccccc3)C[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 760888400 TYGWISGANNNOAQ-PBFBIOBFSA-N 440.500 4.006 5 20 IIBD CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 764151319 VJMYJQCWOVHDRK-UHFFFAOYSA-N 429.782 4.156 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(NCC2(N[C@H](C)c3ccccc3)CCOCC2)cc1Cl 765504855 BLQUCEVQHATNJR-OAHLLOKOSA-N 447.919 4.347 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(Sc3ccncc3)cc2)c2ncccc12 766483992 HBVGQMHGVHUJQW-UHFFFAOYSA-N 439.474 4.457 5 20 IIBD COc1cc(Br)c(NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1OC 767406925 KVQAXXUEIMMUDJ-UHFFFAOYSA-N 447.289 4.387 5 20 IIBD COC(=O)c1cc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2cccc(C)c2)cc([N+](=O)[O-])c1 768362017 SMMBEIQOELRZJL-HSZRJFAPSA-N 448.475 4.066 5 20 IIBD CC(C)N1CCC[C@@H](NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 769657283 QNZAEVZJFWPQIW-OAHLLOKOSA-N 444.919 4.103 5 20 IIBD CCOC(=O)N1CC[C@H](NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 770094350 NYLAWRINCGNPJL-HNNXBMFYSA-N 433.848 4.001 5 20 IIBD Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c(C)c1 770155548 ASAYLHWHXBVABM-CYBMUJFWSA-N 435.274 4.467 5 20 IIBD O=C(Nc1ccc(F)cc1OC1CCCC1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 770691352 MQTDPPRSNVNQCP-ZDUSSCGKSA-N 445.422 4.186 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c32)cc1C 773022381 VLFLXEGMQPWBMG-UHFFFAOYSA-N 447.513 4.310 5 20 IIBD Cc1nccn1-c1ccc(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])cn1 774653249 GDHAJEXRPZMAOK-UHFFFAOYSA-N 428.321 4.145 5 20 IIBD C[C@H](CC(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(=O)c1ccc(Cl)cc1 777216617 UAXXJMNROJAEBF-LLVKDONJSA-N 439.251 4.292 5 20 IIBD CCCCS(=O)(=O)Nc1ccc(NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 777695897 MJBKNZQRELNNAM-UHFFFAOYSA-N 432.546 4.218 5 20 IIBD O=C(c1cc([N+](=O)[O-])c2nsnc2c1)N(Cc1csc(Br)c1)C1CC1 778393827 MRROMSUCXYFDSC-UHFFFAOYSA-N 439.316 4.228 5 20 IIBD CN(C)c1ccc(COC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1[N+](=O)[O-] 784495192 QPJBIDQUVCUIDQ-UHFFFAOYSA-N 448.888 4.200 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](OC(=O)[C@H]1CC12CCOCC2)c1ccccc1 786451108 ANSRPZAUPKRAMY-APWZRJJASA-N 444.871 4.288 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)OCC(=O)c1ccc(Cl)c(Cl)c1 786781364 FHWYLJPIIXOFIB-UHFFFAOYSA-N 435.219 4.255 5 20 IIBD Cc1ccc(C(C)C)c(OCc2nnc(SCc3ccc([N+](=O)[O-])c(F)c3)n2N)c1 787489463 NANJVHWXWFBUCC-UHFFFAOYSA-N 431.493 4.342 5 20 IIBD O=C(O[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1c(F)ccc([N+](=O)[O-])c1F 789067357 WODMELJSSLECSX-ZDUSSCGKSA-N 431.178 4.142 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2c(Cl)cc(F)cc2Cl)c(C)c1[N+](=O)[O-] 790638173 IVTKVCXHOUZPGB-UHFFFAOYSA-N 438.220 4.367 5 20 IIBD O=C(COC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1cc(Cl)ccc1Cl 790744011 PESYKOGYUXQCCV-UHFFFAOYSA-N 435.622 4.419 5 20 IIBD Cc1cc(C(=O)COC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c(C)n1Cc1ccco1 790746365 RSNRESZFJXPDCR-UHFFFAOYSA-N 448.834 4.416 5 20 IIBD COC(=O)c1csc(-c2cccc(CNc3cc(OC)c(OC)cc3[N+](=O)[O-])c2)n1 790798943 GKWGCUXXKUKBSP-UHFFFAOYSA-N 429.454 4.134 5 20 IIBD CCc1cc(O)ccc1NC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 791153921 USTQQPVJTICAPB-UHFFFAOYSA-N 433.464 4.412 5 20 IIBD COc1ccc(Nc2nc(C(=O)OCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cs2)cc1 791963512 LHISWIUOKAIPSV-UHFFFAOYSA-N 430.398 4.069 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N2CCC(Oc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] 792987381 WMYCAVVQMTZONA-UHFFFAOYSA-N 443.475 4.040 5 20 IIBD Cc1nc2cc(F)c(F)cc2n1CC(=O)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 796810929 FPHJORSIOQGFKD-JOCHJYFZSA-N 438.390 4.259 5 20 IIBD COc1cc([N+](=O)[O-])ccc1COC(=O)Cc1sc(N)nc1-c1ccc(C)c(C)c1 797472518 KLMYOLIHFJOILF-UHFFFAOYSA-N 427.482 4.212 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccccc1[C@H](O)c1ccccn1 798261634 FDPLPABCICRECI-MHZLTWQESA-N 435.483 4.270 5 20 IIBD O=C(N[C@@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1)OCc1ccccc1 802907769 XIAMNCITJWCLOS-HXUWFJFHSA-N 445.435 4.077 5 20 IIBD CN(C)C(=O)Sc1cc(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)ccc1Cl 805433170 BPTHVIHYYXLUMA-INIZCTEOSA-N 448.888 4.154 5 20 IIBD Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2Br)nn1-c1ccc(F)cc1F 809353907 WBIWTJFHAZDMMD-UHFFFAOYSA-N 437.200 4.382 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NC[C@@H](c2ccco2)N2CCCCC2)c1Cl 809387808 MBKPZFHATIXXMO-AWEZNQCLSA-N 448.328 4.000 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3Cl)C[C@H]21 809919481 LDAMPKQTLMUEDW-BFHYXJOUSA-N 438.912 4.405 5 20 IIBD CC(C)Oc1cccc([C@@H](OC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C(F)F)c1 810804543 DHHMSPGTIHOYSQ-GOSISDBHSA-N 432.383 4.126 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)C1 812351061 ZGOQKHYNICTFKI-HNNXBMFYSA-N 437.924 4.357 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])cn2)C[C@@H](C)O1 812916845 JNHLFSJKSIXWDJ-PHIMTYICSA-N 425.272 4.163 5 20 IIBD CCOC(=O)[C@@H](F)C1CN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 817678259 ASLKKAOFZDJCAL-IBGZPJMESA-N 432.473 4.028 5 20 IIBD C[C@H](OC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C(=O)Nc1ccccc1Br 857831289 PYPQATZQZVIFAT-JTQLQIEISA-N 432.230 4.023 5 20 IIBD O=C(NCc1nc(-c2ccc(COc3ccccc3)cc2)no1)c1cccc([N+](=O)[O-])c1 904445059 PIRAEFURLZISIU-UHFFFAOYSA-N 430.420 4.154 5 20 IIBD O=C(Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-])[C@@H]1CCCN1C(=O)Cc1ccccc1 920329220 CKOPHNFFGKXPOY-NRFANRHFSA-N 430.460 4.401 5 20 IIBD CC(C)C(=O)Nc1ccc(C(=O)COC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 920779048 ZMSBDUJICPUIGN-CYBMUJFWSA-N 448.859 4.036 5 20 IIBD C[C@@H](OC(=O)c1nc(-c2ccccc2)oc1C1CC1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 1115898468 UYUGWNDLGGNFEU-GFCCVEGCSA-N 439.399 4.450 5 20 IIBD O=C(COC(=O)c1nc(-c2ccccc2)oc1C1CC1)Nc1ccc(F)c([N+](=O)[O-])c1 1317989551 ZVZWSSRMOYGLAR-UHFFFAOYSA-N 425.372 4.062 5 20 IIBD CC(C)c1oc(-c2ccccc2)nc1C(=O)O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 1318432226 OUQKAKDHSRUCLB-SFHVURJKSA-N 435.436 4.336 5 20 IIBD COc1ccc(N(Cc2ccccc2)C(=O)CN(C)c2ccccc2[N+](=O)[O-])cc1OC 1322171264 VNHWGEAKELZICN-UHFFFAOYSA-N 435.480 4.282 5 20 IIBD C[C@@H](SCC(=O)Nc1ccc(F)cc1)c1nnc(COc2ccccc2[N+](=O)[O-])o1 1326136492 IAIWNNBTSMLDJM-GFCCVEGCSA-N 432.433 4.129 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CN2CCS(=O)(=O)c3ccccc3C2)o1 1342969476 BUUDSOOABQAKPJ-UHFFFAOYSA-N 432.885 4.298 5 20 IIBD CC(C)C(=O)Nc1ccc(C2(NC(=O)CSc3ccccc3[N+](=O)[O-])CCC2)cc1 1787644047 YDAMMZZMHIZBNW-UHFFFAOYSA-N 427.526 4.477 5 20 IIBD Cc1ccoc1C(=O)Nc1ccc(C2(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)CCC2)cc1 1788693224 VYBURVNRUCIOOC-UHFFFAOYSA-N 435.436 4.263 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)[nH]n1)c1ccccc1C1CC1 1823134036 IZPOYEODUGSWLE-LJQANCHMSA-N 448.483 4.143 5 20 IIBD CC(C)=CCCC(=O)N[C@H]1CCc2nc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)sc2C1 1823463307 QRVMCIKVNUHASM-HNNXBMFYSA-N 446.504 4.163 5 20 IIBD Cc1c(NC(=O)c2cccc(S(=O)(=O)N[C@@H](C)c3ccccc3)c2)cccc1[N+](=O)[O-] 24061564 NIYVBBHHQJHRAP-INIZCTEOSA-N 439.493 4.195 5 20 IIBD Cc1oc(-c2ccccc2)nc1C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 24483036 YZHSELCOWVBFIT-SFHVURJKSA-N 437.452 4.371 5 20 IIBD O=C(COC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N[C@H]1CCOc2ccccc21 27829262 ZGQYUFUNGZBURX-IBGZPJMESA-N 447.447 4.135 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cccc(-c4nncn4C)c3)cc2[N+](=O)[O-])C1 31125006 FHVHAFYBPHPMOU-HOTGVXAUSA-N 434.500 4.125 5 20 IIBD COc1ccc(Cn2nccc2NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 64908932 HXVSASGKIFTMOP-UHFFFAOYSA-N 435.465 4.224 5 20 IIBD COC(=O)c1cc(C(=O)N2CCC[C@H]2c2ccc(Br)cc2)cc([N+](=O)[O-])c1 108362244 FIAQMXXJCRKDOF-KRWDZBQOSA-N 433.258 4.121 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@@H](C)CN2CCCCC2)cc1[N+](=O)[O-])c1ccccn1 109116839 JGOBPMKNMFVZSG-MSOLQXFVSA-N 425.533 4.015 5 20 IIBD CCN1CCN(C[C@@H](C)CNCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 236948843 JAGKMYJKFBQMKY-SFHVURJKSA-N 446.979 4.404 5 20 IIBD O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H](c2cccc(Cl)c2)N2CCOCC2)c1 237821818 LOIPKZVBDNXZES-GOSISDBHSA-N 441.862 4.013 5 20 IIBD Cc1cc(C)cc(-c2nnc(Sc3ccc(C(=O)c4nccn4C)cc3[N+](=O)[O-])o2)c1 301234792 HDVGVTBTDGLKPK-UHFFFAOYSA-N 435.465 4.377 5 20 IIBD CS(=O)(=O)c1cccc(N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)c1[N+](=O)[O-] 301874503 ICBGIJUWDPLRBK-HNNXBMFYSA-N 449.287 4.022 5 20 IIBD COc1ccc(CSCC(=O)Nc2cc(Br)ccc2F)cc1[N+](=O)[O-] 303439320 BPTJEAXQPNJSSI-UHFFFAOYSA-N 429.267 4.377 5 20 IIBD O=C(N[C@H]1CSc2ccc(Br)cc21)N1CCc2ccc([N+](=O)[O-])cc2C1 426859419 PRNZDSIIBWDIMH-INIZCTEOSA-N 434.315 4.272 5 20 IIBD Cc1noc(C2(C)CCN(C(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])CC2)n1 427453611 QKCWBFODGAURGW-UHFFFAOYSA-N 436.468 4.059 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 427916121 RKJQHXSGXMJEDI-UHFFFAOYSA-N 443.463 4.360 5 20 IIBD Cc1ccc(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cc1C(=O)N1CCCCC1 428004563 HMEWHYXUIVYGGO-UHFFFAOYSA-N 434.452 4.035 5 20 IIBD CC(C)c1[nH]nc(C(=O)N[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c1[N+](=O)[O-] 434225444 HSEIDDQOYCVSEZ-QGZVFWFLSA-N 436.447 4.101 5 20 IIBD O=C(NCc1ccc(F)cc1F)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435504563 IOSLBGNBZSPRMQ-UHFFFAOYSA-N 449.460 4.341 5 20 IIBD O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437370665 IFNRJYJVKIVAPI-UHFFFAOYSA-N 429.782 4.356 5 20 IIBD C[C@@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H](OC1CCOCC1)c1ccccc1 437434083 TWNSEIJIOXHJKW-VGOFRKELSA-N 441.528 4.455 5 20 IIBD COc1ccc(-c2noc(CCCC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)n2)cc1 437493996 LRUKXWUMJGIEQN-UHFFFAOYSA-N 436.468 4.167 5 20 IIBD CC[C@@H](C)NC(=O)c1ccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 437834988 GCAUZTJIRURVHC-MRXNPFEDSA-N 440.500 4.198 5 20 IIBD COCc1nc(CN=c2c(Br)c[nH]cc2[N+](=O)[O-])c(-c2ccccc2)s1 440643742 AGIBZNGRWLKJDB-UHFFFAOYSA-N 435.303 4.056 5 20 IIBD C[C@@H](Cc1ccc(Cl)cc1)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H](C)O 441263956 ZWGYSNVIWJREHM-UONOGXRCSA-N 440.327 4.154 5 20 IIBD CC[C@@H](Cc1ccccc1Br)N(C)C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 441849189 ZETDZTCZUJZJOJ-INIZCTEOSA-N 448.317 4.084 5 20 IIBD CSc1ccc(-c2nc(CC(=O)Nc3ccccc3Br)no2)cc1[N+](=O)[O-] 445470121 JERWHMOCWQEYDJ-UHFFFAOYSA-N 449.286 4.310 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccnn1Cc1ccccc1Br 445751819 OMVQQOFMQYPRMD-UHFFFAOYSA-N 429.274 4.173 5 20 IIBD CCOc1ccc(/C=C/c2nc(Cc3cc(OC)cc(OC)c3[N+](=O)[O-])no2)cc1OC 445819044 OKCOBWXOYATJRL-VQHVLOKHSA-N 441.440 4.164 5 20 IIBD CC[C@H](C)NC(=O)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1 445907672 PCZUHRWNTCHQQN-LBPRGKRZSA-N 434.290 4.067 5 20 IIBD CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 446535043 HJNYAKLATXNFAK-LBPRGKRZSA-N 443.451 4.072 5 20 IIBD COc1ccccc1[C@@H](Nc1cc(CN2CCOCC2)ccc1[N+](=O)[O-])c1ccccn1 447816723 MQODEOIFFCQXSG-XMMPIXPASA-N 434.496 4.032 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCn2c(cc3ccc(Cl)cc32)C1 447848710 DTWITNHWXLIYIP-UHFFFAOYSA-N 426.281 4.061 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)CC[C@H]1c1ccccc1 460638773 GJKBQELKONPYJZ-MAUKXSAKSA-N 437.525 4.140 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CC)[C@@H](c1ccc(C)cc1)n1cncn1 462641426 SCUGCVXJMYSJRR-UEVCKROQSA-N 435.528 4.248 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)[C@@H]1CCc2c[nH]nc2C1 463691208 PYLSZQIHXKBDBP-CYBMUJFWSA-N 444.850 4.324 5 20 IIBD Cc1ccc([C@@H](Cn2ccnc2)NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c(C)c1 467221351 ZCUQUDCNQMTNKI-HXUWFJFHSA-N 427.892 4.302 5 20 IIBD C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 467757146 XBXRNGNUNFORNR-PWSRMUCDSA-N 440.490 4.361 5 20 IIBD Cc1cn(-c2c(F)cccc2F)nc1C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 469395044 HEDDFQRFCNZNOD-HXUWFJFHSA-N 430.436 4.255 5 20 IIBD C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCCn2cc([N+](=O)[O-])cn2)nnc1-c1ccco1 470842252 RXXCYKWOITZXCH-WBTNSWJXSA-N 428.518 4.432 5 20 IIBD C[C@@H]1CCC[C@H](n2c(SCCn3cc([N+](=O)[O-])cn3)nc3ccccc3c2=O)[C@@H]1C 470849923 XLLAFASCXZXIGT-CLCXKQKWSA-N 427.530 4.291 5 20 IIBD CNC(=O)c1cc2cc(NC(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)ccc2[nH]1 473574184 XTXFKKVSWCPXKE-UHFFFAOYSA-N 429.436 4.432 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 479020095 NIGAPJGYVHHTRD-FQEVSTJZSA-N 429.542 4.282 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 480373693 FGYKLIFKLXGCKI-UHFFFAOYSA-N 443.525 4.068 5 20 IIBD CN(Cc1ccc(F)cc1Br)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 481682111 CKWIQAHLNNAGIX-UHFFFAOYSA-N 436.281 4.369 5 20 IIBD O=C(CSCC(=O)c1ccc(Cl)cc1)NCCc1ccc(Cl)cc1[N+](=O)[O-] 482886193 ZFSUPDIXIGTQOK-UHFFFAOYSA-N 427.309 4.176 5 20 IIBD COc1cc(OC)c(OC)cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 483394158 MYOIKORDYFKXPF-UHFFFAOYSA-N 429.473 4.109 5 20 IIBD CN1CCC[C@H]2CN(C(=O)c3ccc(NCc4ccccc4Cl)c([N+](=O)[O-])c3)CC[C@@H]21 483567636 YNLWRDSGQUDOTM-RXVVDRJESA-N 442.947 4.417 5 20 IIBD Cn1nc([N+](=O)[O-])cc1C(=O)N(Cc1ccccc1)c1nc2ccc(Cl)cc2s1 483894378 GLDBTMPABYCSHE-UHFFFAOYSA-N 427.873 4.438 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H](c1ccccc1)N1CCSCC1 486739424 SWMTYADMWHTVSY-GOSISDBHSA-N 439.459 4.020 5 20 IIBD COC(=O)c1cc(NC(=O)C(C)(C)c2ccc(Br)cc2)c(C)c([N+](=O)[O-])c1 489789787 RFSDLSDNJXSHHX-UHFFFAOYSA-N 435.274 4.369 5 20 IIBD CCN(C(=O)c1cc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)ccc1Cl)C(C)C 490518941 DLLAHRSXXHWKIN-UHFFFAOYSA-N 432.908 4.483 5 20 IIBD CCCNC(=O)CCNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 490853578 SOFCEISXAFTLCL-UHFFFAOYSA-N 444.538 4.002 5 20 IIBD COc1cc(CN2CCO[C@H](c3ccc(F)c(F)c3)C2)c([N+](=O)[O-])cc1OCC(F)F 491250216 QBFHJIGFZXHSOV-IBGZPJMESA-N 444.381 4.099 5 20 IIBD COc1cccc([C@@H](CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])N(C)C)c1 492979556 ZYYDBGFFHRFDPQ-XMMPIXPASA-N 449.507 4.215 5 20 IIBD CC(C)(C)S(=O)(=O)Cc1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 497763438 PIISQFDNKIDAQW-UHFFFAOYSA-N 431.514 4.135 5 20 IIBD C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 498168280 ZIWWPNGKGJZDAK-DIFFPNOSSA-N 426.803 4.452 5 20 IIBD CSc1ccc(C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)cc1[N+](=O)[O-] 501436438 OLIBORAHLBELRY-UHFFFAOYSA-N 429.885 4.432 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nc3c(F)cccc3[nH]2)cc1 502490812 ZIQGBRWPJBWLJW-UHFFFAOYSA-N 447.426 4.036 5 20 IIBD COCCCN(C(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 504096045 NFIGBKRPRILDGG-GEJSIIQBSA-N 439.512 4.152 5 20 IIBD CC[C@@H](C)n1c(SCC(=O)NCc2ccccc2[N+](=O)[O-])nnc1-c1ccccc1 504281766 PFQJCOVPMOOJGX-OAHLLOKOSA-N 425.514 4.233 5 20 IIBD C[C@H](Nc1ccc(C(=O)N(C)CCOc2ccccc2F)cc1[N+](=O)[O-])c1ccccn1 506074669 VXRYQGMTGICHHN-INIZCTEOSA-N 438.459 4.453 5 20 IIBD C[C@@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccccc1Oc1ccccc1 506199957 KTPBNRQDZNSNMF-MRXNPFEDSA-N 429.436 4.459 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(N[C@@H](C)c3nc(C(C)C)no3)cc2)cc1[N+](=O)[O-] 506274310 YQFLOAJLDHOEHD-AWEZNQCLSA-N 445.501 4.384 5 20 IIBD C[C@H](NCc1c(F)cc([N+](=O)[O-])cc1F)c1cc2c(cc1Br)OCCO2 509006514 KVXICSRBSREWFC-VIFPVBQESA-N 429.217 4.258 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CN3CCCC[C@H]3c3nnc(C4CCOCC4)o3)co2)cc1 510937974 YXERAKDWEZXJER-IBGZPJMESA-N 439.472 4.254 5 20 IIBD COCc1nc(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c(-c2ccccc2)s1 512467713 FHFMCBFCKPOALC-UHFFFAOYSA-N 425.510 4.459 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 513038519 RFEOTRNDMYGKOE-RDGPPVDQSA-N 439.537 4.198 5 20 IIBD C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1=O 513522082 PUUPGXJFLWGLQB-FZKQIMNGSA-N 441.484 4.431 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)cc([N+](=O)[O-])c1 513880129 QWJGJJGXIAXMTE-OAHLLOKOSA-N 446.887 4.356 5 20 IIBD Cc1csc([C@H](NCc2cc(I)cc([N+](=O)[O-])c2)C2CC2)n1 516515258 OOOQYRMAIBPRTB-CQSZACIVSA-N 429.283 4.205 5 20 IIBD O=C(Nc1ccc(Oc2ccncc2)c(Cl)c1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 517555258 WEYIUAZPLDGVGT-UHFFFAOYSA-N 436.815 4.269 5 20 IIBD O=C(NCCOc1ccc2cc(Br)ccc2c1)c1ccc([N+](=O)[O-])cc1F 517933478 AORNQRUPHPAXIC-UHFFFAOYSA-N 433.233 4.458 5 20 IIBD CC(C)Oc1ccc(Cl)cc1NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 519796459 VZHMEBUBJSPXQF-UHFFFAOYSA-N 431.876 4.165 5 20 IIBD CCC(CC)(CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)N[C@H](C)c1ccccc1 522064742 OUROBPTXSNNKFN-MRXNPFEDSA-N 427.501 4.005 5 20 IIBD Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)C2)cc1 523548083 ZSSYKUGPMRYBQP-GOSISDBHSA-N 438.528 4.241 5 20 IIBD O=C(NC[C@H](O)COc1ccc(F)cc1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 524223300 LRACAJVWMUAOSH-SFHVURJKSA-N 441.415 4.088 5 20 IIBD Cn1c([C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c2ccccc2)nc2ccccc21 534642088 XYYMSGTVIMSQBE-XMMPIXPASA-N 439.475 4.411 5 20 IIBD NS(=O)(=O)c1c(N[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)cccc1[N+](=O)[O-] 536645585 OWAYCIDSUKKNAT-OCCSQVGLSA-N 429.420 4.009 5 20 IIBD CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c(C(F)(F)F)c1 537063067 MUYBAPWQNFHMNP-LBPRGKRZSA-N 439.390 4.217 5 20 IIBD C[C@H]1CCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CCN1Cc1ccccc1 538386647 KWAWPAUSQYVVCI-IBGZPJMESA-N 430.508 4.393 5 20 IIBD Cc1c([N+](=O)[O-])cn(Cc2c(-c3ccccc3)nc3ccccn23)c(=O)c1Br 541286527 KXYSRRQBUCVWNI-UHFFFAOYSA-N 439.269 4.190 5 20 IIBD CC(=O)c1cc(Br)cc(F)c1OCc1cc([N+](=O)[O-])cc2c1OCOC2 541289264 HHJTZGUVZBVPHV-UHFFFAOYSA-N 426.194 4.145 5 20 IIBD O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 541323160 GQAAIDBRLZIBPM-ZBEGNZNMSA-N 438.324 4.247 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC[C@@H]1CCO[C@@H](C)C1 542281600 HIIJJYYIOHQLHK-JKSUJKDBSA-N 449.529 4.021 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 544086696 KWXTXDDDIQNPLG-MRXNPFEDSA-N 435.889 4.097 5 20 IIBD Cc1nn(CCc2nc(-c3ccc(NC(=O)Nc4ccccc4)cc3)no2)c(C)c1[N+](=O)[O-] 544097958 XWRUPBNOHDURJF-UHFFFAOYSA-N 447.455 4.345 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(Br)s2)c([N+](=O)[O-])c1 544112703 DMBOKYOLTXUCCJ-NSHDSACASA-N 431.333 4.253 5 20 IIBD Cc1c(-c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)cnn1-c1ccc(Br)cc1 544931030 SECVVCIBADZHSH-UHFFFAOYSA-N 441.245 4.151 5 20 IIBD COc1cc(OCc2nc(-c3cccc(NC(=O)c4ccco4)c3)no2)ccc1[N+](=O)[O-] 546316338 LQSVEBUTLQVNOI-UHFFFAOYSA-N 436.380 4.078 5 20 IIBD O=[N+]([O-])c1ccc(OCc2nc(Cc3c[nH]c4cccc(Br)c34)no2)cc1 547198209 DZYJAPHFQQECLS-UHFFFAOYSA-N 429.230 4.391 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 553112843 ILTMGCCYIHQYPK-GFCCVEGCSA-N 426.256 4.131 5 20 IIBD COc1ccc(-c2nc(C)c([C@@H](C)Nc3nc(O)c4cc([N+](=O)[O-])ccc4n3)s2)cc1 553441338 TWCLMRKMAZQOHI-GFCCVEGCSA-N 437.481 4.857 5 20 IIBD CN(CC(=O)N1CCc2nc(-c3ccccc3Cl)sc2C1)c1ccccc1[N+](=O)[O-] 563291935 DQZUWLHVKPBRON-UHFFFAOYSA-N 442.928 4.393 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(COC)OCCc2ccccc21 563526039 IAOOOXNIOZSALN-QHCPKHFHSA-N 444.553 4.331 5 20 IIBD O=[N+]([O-])c1ccn(Cc2nc(-c3ccc(Oc4cccc(Cl)c4Cl)nc3)no2)n1 574493114 DBVWRLGLLZMGAQ-UHFFFAOYSA-N 433.211 4.384 5 20 IIBD COc1cc(C(=O)Nc2cc(F)c(OC(F)F)cc2F)c([N+](=O)[O-])cc1OC(F)F 580977868 TVAGOSDHFLTRPX-UHFFFAOYSA-N 440.252 4.337 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)cc1 602093714 OAUXNBWEBZBVFN-UHFFFAOYSA-N 443.428 4.462 5 20 IIBD O=C(Nc1cc(F)cc(F)c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 603652947 PDMLBVCNNIXSRV-UHFFFAOYSA-N 430.333 4.246 5 20 IIBD COc1cc(C(=O)N[C@@H]2CCN3CCC[C@H]3C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 603919705 WSVVOAOEDQYNOH-SJORKVTESA-N 445.903 4.406 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccc(-n4ccnc4)c(F)c3)cc2)c(C)c1[N+](=O)[O-] 603934413 RMUHYHXLHJSUDI-UHFFFAOYSA-N 434.431 4.034 5 20 IIBD CC[C@H](C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1cccc(N2CCCC2)c1 609173969 CDQFPTCBZWIBSK-BTYIYWSLSA-N 442.491 4.117 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC[C@H](N4CCCC4)C3)cc2[N+](=O)[O-])n1 609345741 BNHUSNFYINEUDE-INIZCTEOSA-N 432.571 4.211 5 20 IIBD Nc1c(C(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)cc(F)cc1[N+](=O)[O-] 609664449 XTENXTVVSWAFIE-UHFFFAOYSA-N 428.807 4.474 5 20 IIBD O=C(NCCCCNc1ccccn1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 609875577 XHFPGUZVGDFEBN-UHFFFAOYSA-N 449.298 4.104 5 20 IIBD CC[C@H](c1ccncc1)N(C)C(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] 609981173 DALJZDMIZQQWMU-QGZVFWFLSA-N 442.497 4.257 5 20 IIBD Cc1cccc(CN(Cc2ccccn2)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 610005041 DAYNRYIYTPTWKM-UHFFFAOYSA-N 431.901 4.343 5 20 IIBD COc1cc(C(=O)NCc2ccccc2CN2C[C@@H](C)C[C@H](C)C2)cc([N+](=O)[O-])c1OC 610196383 VMRNNCSINMJBNH-IRXDYDNUSA-N 441.528 4.020 5 20 IIBD CN1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3SC3CCCC3)cn2)CC1 611199113 UOFSZRDUIHBONN-UHFFFAOYSA-N 441.557 4.029 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 727435056 MVJIMCAHGCJUFO-ZMZPIMSZSA-N 442.274 4.441 5 20 IIBD CSCc1nc2ccccc2n1CC(=O)OCc1cc([N+](=O)[O-])ccc1OC(C)C 729117350 XZPMAZVWPLDIAK-UHFFFAOYSA-N 429.498 4.338 5 20 IIBD O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cnn(-c2ncccc2Cl)c1C(F)(F)F 730469966 UPEGZANLCKIVLM-UHFFFAOYSA-N 429.717 4.239 5 20 IIBD O=C(CCc1cc(Br)cs1)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 730648197 URLSTSVCJFPJDN-UHFFFAOYSA-N 438.259 4.145 5 20 IIBD CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)OCCOc1ccccc1[N+](=O)[O-])O[C@H](C)C2 730654495 WOSZYDHQYRIECW-UWWQBHOKSA-N 427.453 4.043 5 20 IIBD Cc1ccc(C)c(C(=O)CCC(=O)OC[C@@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])c1 730704188 OCIWTBSUPLOLQF-SFHVURJKSA-N 438.480 4.023 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccc(Br)cc1F 730977224 QVPNVEYAIBQDJO-NSHDSACASA-N 427.295 4.336 5 20 IIBD CN(Cc1ccccc1NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])C1CCCCC1 731603846 VUZIVHFZEYXEFR-UHFFFAOYSA-N 425.485 4.189 5 20 IIBD C[C@H](O)c1ccc(CNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])cc1 732568008 XUTHFEGSPCHHAA-HNNXBMFYSA-N 427.482 4.061 5 20 IIBD CSc1cccc(N(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C2CCN(C)CC2)c1 732740630 VGIQPIYCNBHJEB-UHFFFAOYSA-N 444.513 4.274 5 20 IIBD COc1cc(OCC(=O)O[C@@H](Cc2ccc(Cl)cc2)C(F)(F)F)ccc1[N+](=O)[O-] 733946855 CCTIEEHMBMHSQR-INIZCTEOSA-N 433.766 4.352 5 20 IIBD COc1cc(COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])cc1OC(F)F 740394487 HMMFGHLEOOCTRB-UHFFFAOYSA-N 440.355 4.134 5 20 IIBD Cc1c(C(=O)N2CCN([C@H](C)c3ccc(Cl)cc3)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 742014753 SCMAYCLKHZSCFN-OAHLLOKOSA-N 446.891 4.292 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3cc(-c4ccccc4)[nH]n3)CC2)ccc1[N+](=O)[O-] 744204931 UQDUKVOVRSRVFV-UHFFFAOYSA-N 436.468 4.209 5 20 IIBD Cc1ccc(C2=NN(C(=O)COC(=O)c3cc(C)ccc3[N+](=O)[O-])[C@H](c3ccco3)C2)cc1 745385768 HVMLFVJTHBGUSR-NRFANRHFSA-N 447.447 4.339 5 20 IIBD COCCN1CC[C@H](NC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)C1 746235306 SFJMKVWWKNDDDX-NRFANRHFSA-N 428.532 4.384 5 20 IIBD CCCOC(=O)c1cc(-c2cncnc2)ccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 749168243 DLFMWPFRIAFIQA-BJMVGYQFSA-N 432.436 4.271 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2C[C@H](CCN3CCCC3=O)c3ccccc32)cc1[N+](=O)[O-] 753042130 WJIDNQKGFULIHH-HKUYNNGSSA-N 436.512 4.290 5 20 IIBD Cc1cc(C(=O)NCC(C)C)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl 753072547 VYVNXYMHZVHGJS-UHFFFAOYSA-N 439.921 4.052 5 20 IIBD O=C(NCc1cccc(CN2CCCC2)c1)Nc1ccc(Br)c([N+](=O)[O-])c1 755023894 ASCHNDBNYMBPNT-UHFFFAOYSA-N 433.306 4.275 5 20 IIBD O=C(c1ccccc1)C1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 755025485 OJOVXFMLBJMCCX-UHFFFAOYSA-N 432.274 4.484 5 20 IIBD Cn1ccnc1[C@@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(F)cc1 755028902 GTLAHMVFULVATF-INIZCTEOSA-N 448.252 4.141 5 20 IIBD C[C@H](OC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccccc1OC(F)F 755058790 BMFOWCBSELMJBV-MNOVXSKESA-N 426.347 4.009 5 20 IIBD O=C(COC(=O)c1c(F)cc(Br)cc1F)Nc1cc([N+](=O)[O-])ccc1Cl 756601230 ZSIBEHRPIDHEHU-UHFFFAOYSA-N 449.591 4.084 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc(Br)c(F)cc2F)cccc1[N+](=O)[O-] 759024790 CSGLUFGQOXDQLT-SECBINFHSA-N 443.200 4.128 5 20 IIBD C[C@H](C(=O)Nc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1)c1cccc([N+](=O)[O-])c1 762262472 FZWOONVIRFDYCD-HNNXBMFYSA-N 443.504 4.106 5 20 IIBD O=C(NC[C@H](O)c1ccco1)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 762321928 WZUPGCBUPCDZCT-QHCPKHFHSA-N 449.507 4.110 5 20 IIBD C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 762560028 QPRAMOJOTRTHOP-CYBMUJFWSA-N 431.876 4.045 5 20 IIBD CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)OC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 762900563 UTJHXHUUNSOAER-LBPRGKRZSA-N 435.392 4.209 5 20 IIBD Cc1sc(=O)n(CC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1-c1ccc(F)cc1 764074386 RBZHVHAVWWFFJF-UHFFFAOYSA-N 441.484 4.124 5 20 IIBD CCc1cc(=NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2cc([N+](=O)[O-])ccc2[nH]1 765099739 OVTWEQIVOPKOAW-UHFFFAOYSA-N 434.330 4.307 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1 765441780 AFECZVYFSRNPHP-CQSZACIVSA-N 434.408 4.246 5 20 IIBD O=C(N[C@H](c1cccc(F)c1)c1ccccn1)c1cc([N+](=O)[O-])ccc1Br 766563718 HXSCZLZODBURCC-GOSISDBHSA-N 430.233 4.411 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)c1ccccc1COC1CCOCC1 768116997 OZYWPZBVOSNQSG-UHFFFAOYSA-N 429.469 4.435 5 20 IIBD COc1cc(N[C@H]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])c(Cl)c3)C2)cc(OC)c1 770006114 GCLMCPSYIQFQRR-AWEZNQCLSA-N 434.880 4.374 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 770015622 IPWFGWNXWZGHRL-CHWSQXEVSA-N 426.901 4.405 5 20 IIBD C[C@@H](OC(=O)c1ncoc1-c1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 770466075 KSXHSZUREVKVIC-SNVBAGLBSA-N 433.779 4.226 5 20 IIBD COc1ccc([C@H](C)NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc1Br 777910570 AUDODDMGKTWAEZ-JTQLQIEISA-N 429.217 4.335 5 20 IIBD CC1=C(C(=O)Nc2cc(Cl)ccc2C)[C@H](c2ccc([N+](=O)[O-])cc2F)NC(=S)N1 777942919 ASWFDORWSMRWGH-KRWDZBQOSA-N 434.880 4.127 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)c1cccc(OCc2cccnc2)c1 778816268 UZKGYGAVVXXQRW-HXUWFJFHSA-N 437.427 4.144 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 780468767 RHMVKUADHPNWIX-MRXNPFEDSA-N 435.524 4.058 5 20 IIBD Cc1cccc(-c2nnc([C@@H](C)OC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)c1 781735820 IMTZPNFIVMUXFZ-CYBMUJFWSA-N 426.385 4.098 5 20 IIBD COc1cccc([C@@H](O)CN(Cc2ccccc2)c2ncnc3ccc([N+](=O)[O-])cc23)c1 782150353 LGMNDCRHOMJOCR-QHCPKHFHSA-N 430.464 4.287 5 20 IIBD O=C(Nc1ccc(N2CCOC2=O)cc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 784881150 ZJAPSFRXUSMOCO-UHFFFAOYSA-N 433.420 4.383 5 20 IIBD CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1ccc(I)c([N+](=O)[O-])c1 787986196 AOAKKTMHZOARCC-LLVKDONJSA-N 442.175 4.002 5 20 IIBD COc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(OCC2CC2)c1 788208287 ARSBJFXGGPSIRU-GFCCVEGCSA-N 448.859 4.230 5 20 IIBD CCCc1nc(C(=O)OCc2ncc(C)c([N+](=O)[O-])c2C)nn1-c1ccccc1Cl 789446934 NCESAAFXJYNRNL-UHFFFAOYSA-N 429.864 4.150 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(OC[C@H](O)COc2ccccc2[N+](=O)[O-])c(Cl)c1 790140406 RHSVHYYNGLURRU-AWEZNQCLSA-N 438.864 4.414 5 20 IIBD CCN(CC)[C@@H](CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1cccc(OC)c1 790495355 PLLAUPNVJYYTMP-FQEVSTJZSA-N 437.899 4.138 5 20 IIBD O=C(CCOc1ccccc1Cl)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791172335 NGSOKSPZEFNKJV-UHFFFAOYSA-N 439.693 4.365 5 20 IIBD COc1ccc(CN(C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C2CC2)cc1 792956110 NJFTZXDFTHIMQJ-UHFFFAOYSA-N 425.485 4.031 5 20 IIBD CCC(=O)c1ccc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c([N+](=O)[O-])c1 795076367 WXWMRDBNEIUDOI-UHFFFAOYSA-N 435.402 4.169 5 20 IIBD CC(C)(C)OC(=O)NC1(COC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCC1 797291581 YEAAKPDHHYTRLW-UHFFFAOYSA-N 433.486 4.323 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)NCc2coc(-c3ccccc3)n2)c(Cl)cc1Cl 809822151 XEXZJNPQTCYKRN-UHFFFAOYSA-N 428.253 4.035 5 20 IIBD Cc1noc2nc(C(C)C)cc(C(=O)OCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c12 813363739 RULKKEDOQHGSFH-UHFFFAOYSA-N 432.820 4.012 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC[C@@H]21 817000460 NGNLBFUGCGLZRG-CJNGLKHVSA-N 431.514 4.281 5 20 IIBD COc1cc(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)ccc1Cl 819159515 DUHRCEMOYZUIEU-UHFFFAOYSA-N 431.645 4.131 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCC(C(=O)NCC(C)C)CC2)cc1[N+](=O)[O-] 881450005 ZQUAWWPUGKKRLT-UHFFFAOYSA-N 435.590 4.357 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccccc1C(=O)Nc1cccc(Cl)c1 915281127 PJSANFGDRKZAQK-UHFFFAOYSA-N 449.854 4.489 5 20 IIBD O=C(CN1CCC(C(=O)c2cc(F)ccc2F)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] 917121666 HGSURFVUSJESDD-UHFFFAOYSA-N 437.830 4.060 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ccc(Cn3ccnc3)cc2)cc1)c1cccc([N+](=O)[O-])c1 917953188 TWVGXVXJNYATBB-UHFFFAOYSA-N 442.431 4.311 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)Oc1c(Br)cccc1Br 921290279 VVULRPNANCDMIY-UHFFFAOYSA-N 431.036 4.348 5 20 IIBD COc1cc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])cc1OCc1cscn1 1115892841 QQVCYDUSRZSDBA-HUUCEWRRSA-N 431.514 4.291 5 20 IIBD CC(C)c1c(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cnn1-c1ccc(C(F)(F)F)cn1 1116155307 ZHBBPPVOJPUUCU-UHFFFAOYSA-N 445.401 4.474 5 20 IIBD O=C(N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1)N1Cc2ccc([N+](=O)[O-])cc2C1 1318839852 UIEKECSKFORBGM-SFHVURJKSA-N 432.883 4.077 5 20 IIBD C[C@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(F)cc1OC(F)F 1319975730 GBMBHLDCEBKLRW-JTQLQIEISA-N 427.335 4.054 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(-c2cc3c(s2)CCC3)o1 1322144664 AXSDWVFFWRENHD-OAHLLOKOSA-N 444.538 4.419 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1N[C@H](c1ccc(OC)cc1)c1ccc(OC)cc1OC 1327091549 OKYZDDXNJCAOQA-HXUWFJFHSA-N 426.473 4.347 5 20 IIBD CC(C)=CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3cccc([N+](=O)[O-])c3)CCC1)C2 1799990992 BGVWWHUYYWLGPH-WKCHPHFGSA-N 439.556 4.401 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1C1CC1 1800352363 XFVJHLZITLJGLT-BJWYYQGGSA-N 437.471 4.177 5 20 IIBD C[C@@H]1CCC[C@@H]1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])[nH]n1 1818959333 RWTSJUQUNKVQBD-GLJUWKHASA-N 443.479 4.199 5 20 IIBD Cc1occc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1824274119 AJGCANJECLLFGS-CYXJOQHWSA-N 441.484 4.036 5 20 IIBD C[C@@H]1C[C@]1(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830617972 HTEUZDUISVCIKC-XLHILCRZSA-N 431.508 4.013 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CC2(CCCN2C(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 1846079716 DFWMUYRGRUMHHJ-IYARVYRRSA-N 445.535 4.322 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(SC(F)F)cc2)c([N+](=O)[O-])c1 10768247 KRXLAZAWWDFJMN-JTQLQIEISA-N 426.397 4.102 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(Sc2nnc(-c3ccc(C)cc3)o2)c([N+](=O)[O-])c1 20667479 PLJQMPBSHOHFBA-UHFFFAOYSA-N 448.526 4.135 5 20 IIBD C[C@H](OC(=O)COc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1Cc1ccccc1 22478145 YFOLRDIGJMJISP-KRWDZBQOSA-N 434.448 4.135 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc(C(N)=O)c(Cl)c3)cc2[N+](=O)[O-])C1 31954987 KAWCRWJGLVSCGM-STQMWFEESA-N 430.892 4.082 5 20 IIBD Cc1nn(CCC(=O)N[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)c(C)c1[N+](=O)[O-] 60365216 LLZCCBAFXWQEQW-FQEVSTJZSA-N 428.439 4.177 5 20 IIBD CN(CCCOc1ccc(Cl)cc1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 65089870 OZSUWIZAMUJPRH-UHFFFAOYSA-N 428.876 4.190 5 20 IIBD CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 110480985 JXSHCMRSWSFBCK-CYBMUJFWSA-N 438.311 4.457 5 20 IIBD CS(=O)(=O)c1ccc(Sc2nnc(-c3cccc4ccccc34)o2)c([N+](=O)[O-])c1 301438000 SQYIANVFPPLUON-UHFFFAOYSA-N 427.463 4.353 5 20 IIBD CC(=O)c1ccc(NCc2ccc(Br)cc2N2CCOCC2)c([N+](=O)[O-])c1 301738278 CKESVUKHNRSCEA-UHFFFAOYSA-N 434.290 4.009 5 20 IIBD O=C(CC1CCCC1)NC1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 303130736 PFVYWQNFYSXRBG-UHFFFAOYSA-N 439.459 4.390 5 20 IIBD COc1ccccc1[C@@H](NC(=O)CCn1cc([N+](=O)[O-])nc1C)c1ccccc1Cl 303886503 OKMAPGFOQFHNAA-NRFANRHFSA-N 428.876 4.058 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)cc1OC 410405704 YZJJYLRGSWGSDE-UHFFFAOYSA-N 432.326 4.335 5 20 IIBD C[C@H](O)C[C@@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccccc1 427159802 JSFTUPHBSANFMP-RXVVDRJESA-N 434.492 4.458 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1-c1c(F)cccc1F 428152657 SNSMSYKMQHVVDZ-CYBMUJFWSA-N 425.391 4.297 5 20 IIBD CCc1cc(=N[C@@H](Cc2nc(C)no2)c2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 428680913 MGIUZHJRMCCDGK-FQEVSTJZSA-N 430.468 4.123 5 20 IIBD COc1ccc(Br)c(CN(C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 429296734 SDKSXTBVYYCXEA-ZDUSSCGKSA-N 436.306 4.133 5 20 IIBD O=C(NC[C@@]1(CO)C[C@H]1c1ccc(F)cc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 430125905 UWAAIUFDFHVXFN-SQJMNOBHSA-N 449.482 4.242 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O 430487556 XQUZKWWNVMMPIS-LVWPNOBMSA-N 432.517 4.105 5 20 IIBD COc1ccc(C(=O)N2C[C@@H](C)C(=O)N(Cc3ccccc3)c3ccccc32)cc1[N+](=O)[O-] 430840239 REWBOHVQJNTHSD-QGZVFWFLSA-N 445.475 4.433 5 20 IIBD COc1ccc(NC(=O)CCN2CCC[C@H]2c2nc3ccccc3s2)c([N+](=O)[O-])c1 433959254 SWNILHQLWRCKAL-KRWDZBQOSA-N 426.498 4.379 5 20 IIBD O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 436248519 SWTPRTCCWXLASS-MSOLQXFVSA-N 439.537 4.267 5 20 IIBD O=C(NC[C@H](CO)Cc1cccc(OC(F)(F)F)c1)Nc1ccc([N+](=O)[O-])cc1Cl 437596582 ZNGCNEXMFORIBA-GFCCVEGCSA-N 447.797 4.120 5 20 IIBD CN(C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 437943390 SYPCBBUENBAJNW-MAODMQOUSA-N 441.553 4.070 5 20 IIBD O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CC[C@@H]([C@@H]2CCOC2)C1 441576971 APMJDZCCFZJJAO-QZTJIDSGSA-N 429.904 4.359 5 20 IIBD COCCOc1ncccc1CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] 441838923 MONPEIKTKNOCTL-UHFFFAOYSA-N 439.493 4.096 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCc2c(ncn2-c2ccccc2)C1 444292271 UKBXVPMJVRMUJT-UHFFFAOYSA-N 438.462 4.205 5 20 IIBD Cc1cccc(CNC(=O)Cc2noc(-c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)n2)c1 445717954 KZLDJDGXGINGBK-UHFFFAOYSA-N 449.511 4.048 5 20 IIBD COc1ccc(CSCC(=O)N[C@H](C)c2cccc(N3CCCC3)c2)cc1[N+](=O)[O-] 446483289 BLXSCURYBBSFDW-MRXNPFEDSA-N 429.542 4.314 5 20 IIBD C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 446946188 OJZZPHMQSVGCCL-CALCHBBNSA-N 436.512 4.303 5 20 IIBD C[C@]1(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)OCCc2sccc21 460981673 PSNORHBDRFSTPM-HSZRJFAPSA-N 440.471 4.239 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[C@@H](c4cc(C(F)(F)F)n[nH]4)C3)o2)c1 461939861 YUMCXOIDRKDAPY-CQSZACIVSA-N 435.406 4.414 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(C)cc1OC[C@H]1CCCO1 462631960 OZUFBBSGEXDJMX-DENIHFKCSA-N 426.513 4.346 5 20 IIBD CCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)c(C(F)(F)F)c1 463513350 DPBDRQGSFNIAPV-UHFFFAOYSA-N 441.387 4.361 5 20 IIBD O=C(NCc1ccc(OCCN2CCCC2)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 463828567 DYLZRGCOUOUBFY-UHFFFAOYSA-N 437.418 4.018 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H](CO)Cc1cccc(OC(F)(F)F)c1 463959961 UKKJLBBRLIDMMG-OAHLLOKOSA-N 441.406 4.083 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](COCc1ccccc1)c1ccccc1 464029942 SXDXIAAYMWZQMD-OAQYLSRUSA-N 447.491 4.224 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(=Cc3ccccc3F)CC2)c2ncccc12 464223849 OKFCURJXKYPXFK-UHFFFAOYSA-N 427.457 4.150 5 20 IIBD C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 464386465 ILWXVZOHLREJBG-KRWDZBQOSA-N 445.475 4.207 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2nc3ccc(Br)cc3[nH]2)cc1SC 464576723 RAHIDSYPQDAIJN-UHFFFAOYSA-N 437.275 4.216 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1coc(-c2ccccc2)n1 465622626 BFLQUJKVFDIIJR-UHFFFAOYSA-N 449.389 4.180 5 20 IIBD CCc1ccc(-c2noc([C@@H](C)NC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)n2)cc1 467220698 XSZOGURCTOFCEJ-GFCCVEGCSA-N 429.864 4.421 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCc2nnc(C(C)(C)C)s2)cc1[N+](=O)[O-])c1ccccn1 467370686 QPGRXSVLOFYHCI-CYBMUJFWSA-N 440.529 4.242 5 20 IIBD COc1ccc(CSCC(=O)N2CCCc3c([nH]c4c(F)cccc34)C2)cc1[N+](=O)[O-] 467789714 NRFXXIJIXUMACF-UHFFFAOYSA-N 443.500 4.432 5 20 IIBD CN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc(C(F)(F)F)c1 469744943 JPGOPWUPJPNDAC-OAHLLOKOSA-N 447.360 4.248 5 20 IIBD O=C(Nc1ccc(OC[C@H](O)COc2cccc3[nH]ccc23)cc1)c1cccc([N+](=O)[O-])c1 471433843 SRFAUCNCKHCBEO-IBGZPJMESA-N 447.447 4.147 5 20 IIBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl 473792813 QAOWREOUWJCXRP-NRFANRHFSA-N 441.846 4.023 5 20 IIBD Cc1nc(NC(=O)c2ccccc2SCC(=O)Nc2ccc(F)cc2)ccc1[N+](=O)[O-] 475306887 VXPRMXBWRXXXIU-UHFFFAOYSA-N 440.456 4.420 5 20 IIBD CC[C@@H](C)c1ccc([C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)c2cccs2)cc1 479469051 ONFZFCCXQVJPJA-QRQCRPRQSA-N 425.510 4.237 5 20 IIBD COc1ccc(CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1OC1CCCC1 479751617 STDBZMZAENHTSF-UHFFFAOYSA-N 436.468 4.041 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccc(CNC(C)=O)o2)cs1 481205725 WWSSHBYDNFLADY-UHFFFAOYSA-N 446.510 4.312 5 20 IIBD COC(=O)c1cc(OCC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)ccc1[N+](=O)[O-] 481964707 VETUKDYIGBXKQX-GOSISDBHSA-N 432.448 4.193 5 20 IIBD CCNc1ccc(C(=O)Nc2nc3ccccc3n2CCc2ccccn2)cc1[N+](=O)[O-] 482169095 JERAGRQCYZMWJZ-UHFFFAOYSA-N 430.468 4.266 5 20 IIBD CCOC(=O)c1csc([C@H]2CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n1 482945126 JIMXGHDOHTUATR-CQSZACIVSA-N 431.495 4.420 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2cccc(OC)c2)CC1 486615318 NKQNMCLHIRBPFV-UHFFFAOYSA-N 430.526 4.362 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)c1ccc(Oc2cccnc2)cc1 487901510 VRQAGBHNBDBJNV-CVEARBPZSA-N 436.468 4.469 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCS[C@H]4COCC[C@@H]43)cc2[N+](=O)[O-])cc1 489022601 XTZQSIBAXWEOAU-PXNSSMCTSA-N 430.551 4.401 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 489965741 NOCQJRXPJIVYPM-CVEARBPZSA-N 437.496 4.279 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C 490037502 SJWVQSCGPKYHSP-SUMWQHHRSA-N 444.431 4.073 5 20 IIBD Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)CC3 491457266 OSSBLFXMKCPZRQ-LBPRGKRZSA-N 428.286 4.434 5 20 IIBD CS(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2OC2CCCC2)cc([N+](=O)[O-])c1 494242015 PQNQRJDMRAATME-UHFFFAOYSA-N 438.889 4.225 5 20 IIBD O=C1CCCc2cc(S(=O)(=O)N(c3cccc([N+](=O)[O-])c3)C3CCCC3)ccc2N1 494437712 OUAKJVNVXLOIJT-UHFFFAOYSA-N 429.498 4.008 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 498879991 LRTNTTMLFSBWER-GOSISDBHSA-N 446.511 4.222 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N(C3CC3)[C@H](C)CS(C)(=O)=O)cc2[N+](=O)[O-])cc1 499332311 YBBXTQGXCTWNNT-OAHLLOKOSA-N 448.566 4.092 5 20 IIBD Cc1cc(=O)c(C(=O)Nc2ccccc2OC2CCCC2)nn1-c1ccccc1[N+](=O)[O-] 502603422 WLVYQRQWLOVINN-UHFFFAOYSA-N 434.452 4.023 5 20 IIBD CC(C)Oc1cc(CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C2CC2)ccn1 503564623 CCVWOOUCXSESAW-UHFFFAOYSA-N 448.317 4.273 5 20 IIBD CCC[C@@H](N[C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1)C(=O)N1CCc2sccc2C1 504905546 KEIVAPZSESTXQV-MAUKXSAKSA-N 431.558 4.459 5 20 IIBD Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 506099641 ULQYJVZJXJKUMB-KRWDZBQOSA-N 447.495 4.182 5 20 IIBD COc1ccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1N1CCCC1=O 509563708 IRFSTTGXLUKEHK-UHFFFAOYSA-N 426.473 4.173 5 20 IIBD CN(C)C(=O)c1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1Cl 510139973 OARBOOIAMOGSSS-UHFFFAOYSA-N 433.895 4.149 5 20 IIBD O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 511830531 CASITJVUDJLDDA-MRXNPFEDSA-N 433.386 4.364 5 20 IIBD C[C@H](NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)c1nncn1C 511990205 IVYLRBYRNRTBOP-LUYJPIOASA-N 448.508 4.141 5 20 IIBD CCOc1cc(CN(C)CC(F)F)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 512036696 BAFKFPMLAIHXFF-UHFFFAOYSA-N 438.427 4.136 5 20 IIBD O=C(Nc1ccc(-n2cccn2)cc1C(F)(F)F)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 512335075 BXARUOWFLHNAJD-UHFFFAOYSA-N 442.357 4.237 5 20 IIBD CCOc1cc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)N1CCCCC1 513115886 WYYYWDGKQGLYCK-SFHVURJKSA-N 441.528 4.236 5 20 IIBD O=C(NCCNC(=O)c1ccccc1Cl)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 515198230 IJUGFAUPWQFGNZ-UHFFFAOYSA-N 438.871 4.152 5 20 IIBD COc1ccc(F)cc1[C@H](C)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 515432000 UTGRWNJWBMNBPG-WDEREUQCSA-N 429.370 4.439 5 20 IIBD CCOc1cc(C(=O)NCCOc2cccc(Cl)c2Cl)c([N+](=O)[O-])cc1OC 517605681 HATDPLPZSFALOE-UHFFFAOYSA-N 429.256 4.118 5 20 IIBD C[C@H]1CN(C)CCN1C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 518790057 UHGFCYSEKIMUHY-HZGBGQKMSA-N 436.537 4.298 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 520052166 DEISLLYAIMQJHA-IRXDYDNUSA-N 425.363 4.377 5 20 IIBD C[C@H](NC(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cccc([N+](=O)[O-])c1 520476592 IXHHFHCJPZFUJD-ZDUSSCGKSA-N 433.390 4.360 5 20 IIBD COc1ccc(-c2nc(Cc3noc(Cc4ccc([N+](=O)[O-])cc4Cl)n3)co2)cc1 522822185 ILQYNSYSBBJFSE-UHFFFAOYSA-N 426.816 4.476 5 20 IIBD COCCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)[C@H](C)c1cccc(C(F)(F)F)c1 523223088 KATDWSNFNOPYIN-CQSZACIVSA-N 442.438 4.053 5 20 IIBD CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(NC)c([N+](=O)[O-])c1 524112820 DPVMYZAJDCCSEL-UHFFFAOYSA-N 429.864 4.392 5 20 IIBD O=C(NCCCOC1CCOCC1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 524643857 SAXAXIMOBDIMMB-UHFFFAOYSA-N 447.919 4.176 5 20 IIBD COc1cc(CNC[C@@H]2CCCn3cc(C)nc32)c([N+](=O)[O-])cc1OCc1ccccc1 525181447 MEINZDYAVQTSBK-IBGZPJMESA-N 436.512 4.355 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCc2cc(Br)cc(F)c2C1 526037143 ZSMRDGSXKWLAAV-UHFFFAOYSA-N 432.249 4.036 5 20 IIBD C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1NS(=O)(=O)c1cccs1 533150912 SQBKKKDMGLBCEO-GFCCVEGCSA-N 449.485 4.087 5 20 IIBD C[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H](OC1CCOCC1)c1ccccc1 534728245 KKSOPTIEZKIGAW-UPCLLVRISA-N 437.496 4.060 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 534939327 VDPQBWJBHBXROG-MRXNPFEDSA-N 447.495 4.254 5 20 IIBD O=C(Nc1ccnn1Cc1ccc(Br)cc1)c1c[nH]c2cccc([N+](=O)[O-])c12 534962914 LCPMWRGSUJJCQP-UHFFFAOYSA-N 440.257 4.336 5 20 IIBD O=C(Nc1ccc(-c2cnco2)cc1)c1cc(I)cc([N+](=O)[O-])c1 535021805 ITMCHJKOQBNZSU-UHFFFAOYSA-N 435.177 4.107 5 20 IIBD Cc1c(NC(=O)[C@H](C)N2CCC3(CCN(Cc4ccccc4)C3)CC2)cccc1[N+](=O)[O-] 535681141 NOAHDCULWGCFTK-FQEVSTJZSA-N 436.556 4.218 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 536292551 UEZAJPNTEWETGK-FZKQIMNGSA-N 438.452 4.277 5 20 IIBD COC(=O)c1cc(C(=O)N2CCCCc3cc(Br)ccc32)cc([N+](=O)[O-])c1 537801741 JBDYMFQPRWLEDM-UHFFFAOYSA-N 433.258 4.127 5 20 IIBD CN(C(=O)c1ccc([N+](=O)[O-])cc1I)c1ccc(F)c(Cl)c1 538437056 KYRWLPJLMDWTPR-UHFFFAOYSA-N 434.592 4.269 5 20 IIBD Cc1nc(-c2ccc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])cc2Cl)n[nH]1 540512827 OOHYQFYEFRGGAH-UHFFFAOYSA-N 436.653 4.357 5 20 IIBD Cc1cc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])ccc1-n1nnnc1C(C)C 544313274 BHBXTLWLNXRURK-UHFFFAOYSA-N 443.895 4.020 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(-c2nc(-c3cccc(Cn4ccnc4)c3)no2)c1 544961997 PIXSPNKVWROFKH-UHFFFAOYSA-N 426.230 4.319 5 20 IIBD COc1cc(Br)c(Cc2noc(Cc3cccc([N+](=O)[O-])c3C)n2)cc1OC 545541622 QXYIYQQSCQWNGW-UHFFFAOYSA-N 448.273 4.248 5 20 IIBD Cc1nnc([C@H](C)NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)s1 546763417 MHRXLBVPYJNZPT-AWEZNQCLSA-N 448.508 4.027 5 20 IIBD Cc1c(Br)cc(-c2nc(-c3ccc(Cn4cncn4)cc3)no2)cc1[N+](=O)[O-] 547009762 AVLZEJVLYQUYEP-UHFFFAOYSA-N 441.245 4.023 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)c1Br 553347544 YPYWKQUSIOCENP-SNVBAGLBSA-N 448.243 4.197 5 20 IIBD COCCOC1CCC(c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)CC1 554806667 RPGKVZCJBRZAKT-UHFFFAOYSA-N 440.294 4.020 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CC[C@@]4(CCc5ccccc5O4)C3)cc2)c(C)c1[N+](=O)[O-] 555079712 KJLPDOSTFGLVNU-VWLOTQADSA-N 446.507 4.066 5 20 IIBD CCOC(=O)C(C)(C)C1CCN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CC1 561068311 FWHAZDUSXZECMC-UHFFFAOYSA-N 441.322 4.107 5 20 IIBD C[C@H](CNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)CN(C)C 561093022 VHGMAHQJIMGMQY-UWCCDQBKSA-N 438.553 4.449 5 20 IIBD C[C@@H](C(=O)N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1ccc([N+](=O)[O-])cc1F 561427984 IMLSPLVOHDDPKG-ZUOKHONESA-N 440.393 4.374 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 570208817 GXGHUPBKSGLRNI-ZDUSSCGKSA-N 425.411 4.321 5 20 IIBD COc1ccc(-c2cnc(NC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])n2C)cc1 576545984 DXMCEKDSQQFNMV-UHFFFAOYSA-N 430.848 4.065 5 20 IIBD COc1ccc(CC(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)cc1[N+](=O)[O-] 577458754 FIFKCGZSGZEMAD-MRXNPFEDSA-N 437.265 4.411 5 20 IIBD CCNC(=O)Nc1cccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1C 577821224 MOQVVYAWCVBUOU-UHFFFAOYSA-N 428.492 4.243 5 20 IIBD C[C@@H](CN[C@H](c1cccc([N+](=O)[O-])c1)c1nccn1C)Oc1ccccc1Br 579141488 RHZNNOAFCLBAFI-IFXJQAMLSA-N 445.317 4.237 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1 585701025 SCTAUWAMPFBHHU-UHFFFAOYSA-N 447.285 4.106 5 20 IIBD O=C(N[C@@H](c1ccccc1F)C1CCCC1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 589007568 OMWJWTPIIXTVEH-JOCHJYFZSA-N 439.487 4.273 5 20 IIBD COc1cccc(C2(c3noc(-c4nnn(-c5cccc([N+](=O)[O-])c5)c4C)n3)CCC2)c1 589155344 FAVZRDXSCJPYBL-UHFFFAOYSA-N 432.440 4.013 5 20 IIBD CN(CCO)Cc1cc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)ccc1Cl 590537996 IJADZPOVZRGVFE-UHFFFAOYSA-N 446.916 4.048 5 20 IIBD CCn1c(SCC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)nnc1-c1cccc(C)c1 603902825 KBNHOIIRKDOWNW-HNNXBMFYSA-N 425.514 4.151 5 20 IIBD COCCNC(=O)c1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1Cl 603966929 MBPAOZLIBGDNHF-UHFFFAOYSA-N 433.873 4.091 5 20 IIBD CCN(C(=O)Cc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1)c1ccccc1 603989742 ZDDYJIRQVMWMBG-UHFFFAOYSA-N 433.464 4.208 5 20 IIBD Cc1csc(Sc2ccc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)cc2)n1 604114046 ZKUFRXCWTXLJBH-UHFFFAOYSA-N 442.522 4.270 5 20 IIBD C[C@@H](c1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1)N1CCOCC1 609182641 BWVPNIFIHYWXFR-LSDHHAIUSA-N 433.892 4.047 5 20 IIBD Cc1ccnc(-c2cccc(NC(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)c2)n1 609646794 RMGRKXWUWHJDCA-UHFFFAOYSA-N 442.479 4.474 5 20 IIBD O=C(CSc1nnc(-c2cccs2)n1C1CC1)N1CCCc2ccc([N+](=O)[O-])cc21 609860066 PDMBJHCDEPOCAL-UHFFFAOYSA-N 441.538 4.321 5 20 IIBD CN(C)CC[C@@H](NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)C(C)(C)C 609860910 ASPVTDDXYWQBPW-MRXNPFEDSA-N 442.347 4.184 5 20 IIBD O=C1[C@H](SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCN1c1ccc(Cl)cc1 610092766 XZVTYEMAHWOZOD-GOSISDBHSA-N 447.900 4.085 5 20 IIBD CCNc1ccc(C(=O)N2CCOC[C@@H]2c2c(C)nn(-c3ccccc3)c2C)cc1[N+](=O)[O-] 611546634 YCJOVPNJQTYZPY-JOCHJYFZSA-N 449.511 4.043 5 20 IIBD O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 619221607 GPIPNGLEFQRKJO-UHFFFAOYSA-N 446.429 4.443 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@@H](Cn2cnc3ccccc32)C1 619544532 MRWNLGHGKQCEGZ-CQSZACIVSA-N 430.411 4.098 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1)c1ccsc1 728885692 DYWAIIFKVSHKOB-UHFFFAOYSA-N 434.433 4.314 5 20 IIBD COc1ccccc1[C@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NC(=O)OC(C)(C)C 731976319 OWRIEFFNGZYNNU-HNNXBMFYSA-N 449.891 4.253 5 20 IIBD C[C@H](c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1)N1CCOCC1 733761885 YCHMXKTXOJSRQO-CYBMUJFWSA-N 434.290 4.003 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 734852489 VFBHTNJRBVDCCR-HNNXBMFYSA-N 433.338 4.380 5 20 IIBD O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1nn(Cc2ccccc2)c(=O)c2ccccc12 734882905 WJVVKDZZNIAWQW-UHFFFAOYSA-N 449.850 4.363 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OC[C@H]1CC(=O)N(C)[C@H]1c1cccc(Cl)c1 737384821 IVUKHGOEBPTGDA-AGKSTNPPSA-N 448.928 4.492 5 20 IIBD C[C@@H](OC(=O)Cc1csc(-c2ccoc2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 738853859 CTSAOTTWHSWAJW-SNVBAGLBSA-N 435.845 4.078 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1Br 739581032 YSJTYHYHYYDSCW-UKRRQHHQSA-N 443.294 4.094 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NC[C@@H](C)CC3(C)OCCO3)cc2[N+](=O)[O-])n1 740748273 AZVQCQLCXHDUJC-LBPRGKRZSA-N 437.543 4.030 5 20 IIBD O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)Nc1cc([N+](=O)[O-])ccc1OC(F)F 741061855 IJRUMIZJTRIYFA-GFCCVEGCSA-N 436.198 4.358 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2)C1 741896074 NZQWECJRXYMVGX-QFIPXVFZSA-N 429.904 4.149 5 20 IIBD O=C(c1cc2occc2s1)N1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 742409623 KAPXPUOXHZPKQU-UHFFFAOYSA-N 436.287 4.127 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccc(Cl)cc1 744563168 YOFJSWMERYEDNO-LSDHHAIUSA-N 445.903 4.271 5 20 IIBD C[C@H](OC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 747519934 HYLGVLXTAWUAGW-TUKIKUTGSA-N 433.258 4.031 5 20 IIBD C[C@H](OC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 747520070 IMVVEQMHQIKITL-YMRXKLBXSA-N 433.258 4.031 5 20 IIBD O=C(Nc1ccc(=O)n(Cc2ccccc2)c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 747647001 XISSLOPIWRRVNV-UHFFFAOYSA-N 432.461 4.181 5 20 IIBD CCCC[C@H](OC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)Nc1cc(C)on1 750968463 SWROGIPMQUIUBN-AWEZNQCLSA-N 440.250 4.008 5 20 IIBD O=C(Nc1ccccc1C(=O)NCc1ccco1)c1cc([N+](=O)[O-])ccc1Br 751068971 SRSSWBLJYDIDBT-UHFFFAOYSA-N 444.241 4.133 5 20 IIBD C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 751946618 LEWPHPTVQMUDDI-MNOVXSKESA-N 448.398 4.261 5 20 IIBD CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)c1cccc([N+](=O)[O-])c1Br 753802959 YVKAPWXEJBBZNG-UHFFFAOYSA-N 440.681 4.401 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)c(F)c(Cl)c2)cc1[N+](=O)[O-] 755041152 LEPSFAHOOBOZLO-UHFFFAOYSA-N 438.220 4.020 5 20 IIBD O=[N+]([O-])c1ccc(NC(=S)Nc2cnc(Br)c(Br)c2)cc1 757543209 OWNLSCNIIQSINN-UHFFFAOYSA-N 432.097 4.324 5 20 IIBD Nn1c(SCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)nnc1-c1ccc(Cl)cc1 760291236 XJRQZLZEGMXJCZ-UHFFFAOYSA-N 428.861 4.168 5 20 IIBD C[C@H](OC(=O)c1ccc(Cl)cc1Br)C(=O)Nc1cccc([N+](=O)[O-])c1 761279842 ITMXVWOZKISSQB-VIFPVBQESA-N 427.638 4.195 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@@H](c2nc(-c3cc(Cl)c4c(c3)OCCCO4)no2)C1 761418584 ZWXJJZXTUGSAHE-QGZVFWFLSA-N 442.815 4.325 5 20 IIBD Cc1nccn1-c1ncccc1CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 763983446 OUDRFXSFLXQBRM-UHFFFAOYSA-N 437.525 4.449 5 20 IIBD C[C@@H](NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)c1ccc(NC(=O)c2ccncc2)cc1 764258627 GXTRYEDSIFDMOB-GFCCVEGCSA-N 426.379 4.011 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1-c1ncco1 765107708 UVEVAXGEZGUXTH-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD CCOc1cc(NC(=O)NC[C@](C)(O)c2cccc(Cl)c2)c([N+](=O)[O-])cc1OCC 765114867 MLDBLYUHYPVXSB-FQEVSTJZSA-N 437.880 4.075 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 767194761 MQPFZVMOKGYXQB-HNNXBMFYSA-N 430.386 4.429 5 20 IIBD O=C(CSc1nnc(Cc2c(F)cccc2Cl)o1)Nc1cc([N+](=O)[O-])ccc1F 768352371 OXLFPMAXLSGVHG-UHFFFAOYSA-N 440.815 4.231 5 20 IIBD CCN([C@@H](c1cccnc1)c1ccc(F)c(F)c1)S(=O)(=O)c1csc([N+](=O)[O-])c1 768854144 QWWRSTMZCPSNHU-GOSISDBHSA-N 439.465 4.130 5 20 IIBD O=C(OCc1ncc(-c2cccc(Cl)c2)o1)c1cc(Br)ncc1[N+](=O)[O-] 769835611 VMEQFVILASIFBY-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 771466902 BFRRGSLQYJMPOS-GOSISDBHSA-N 439.903 4.452 5 20 IIBD Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Oc3cc(F)cc([N+](=O)[O-])c3)cc2)cc1 771486715 KUPGQZPSCRRNOY-UHFFFAOYSA-N 429.425 4.235 5 20 IIBD C[C@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C)CN1C(=O)OC(C)(C)C 771730262 DXYUEXNEZVAQSE-KBPBESRZSA-N 446.529 4.188 5 20 IIBD C[C@H](OC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1nc(-c2cccc(F)c2)no1 772181171 KLRFHDHTTWIMLJ-VIFPVBQESA-N 436.193 4.464 5 20 IIBD O=C(Nc1c(F)cc(Cl)cc1F)c1ccc(I)c([N+](=O)[O-])c1 775500267 AKONILMKMZPUGO-UHFFFAOYSA-N 438.555 4.383 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 775960467 XLPWRBDMLILVTA-GOSISDBHSA-N 441.228 4.282 5 20 IIBD O=c1c2ccccc2nc(SC[C@H](O)c2ccc([N+](=O)[O-])cc2)n1-c1ccc(F)cc1 776271887 NWRPCZANGARXHL-FQEVSTJZSA-N 437.452 4.259 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)C[C@H](C)C(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 777216295 RYXYLJXWNPHOMH-STQMWFEESA-N 448.859 4.036 5 20 IIBD CC[C@H](C)n1nc(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cc1C 778242525 VKYAUKPUWOXGDH-QFBILLFUSA-N 442.516 4.313 5 20 IIBD C[C@@H](OC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C(=O)N(C)c1ccccc1 781257010 ITEZWGQGSSYLBN-CYBMUJFWSA-N 436.414 4.168 5 20 IIBD Cn1c([C@H]2CCCCN2C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc2ccccc21 781625442 XTOPGQWIGYIJGA-LJQANCHMSA-N 437.456 4.076 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Oc3ccc4c(c3)OC(=O)C[C@H]4C)cc2)c(C)c1[N+](=O)[O-] 785379397 AJFQOHFSKIOZMJ-CYBMUJFWSA-N 435.436 4.088 5 20 IIBD C[C@H](NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1ccc(N)c([N+](=O)[O-])c1 788753109 HZTSSEUDNMDMAC-ZDUSSCGKSA-N 436.434 4.151 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1 789906959 HCAGUQWKNMKTPG-IBGZPJMESA-N 439.403 4.400 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 790629849 OFQMYOJBLOYIMG-QGZVFWFLSA-N 431.222 4.322 5 20 IIBD CC(C)(C)C(=O)NC1CCC(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 790965740 FMDYROXOUUYYGY-UHFFFAOYSA-N 426.311 4.017 5 20 IIBD CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 791141748 WCOSYLWRFKWMTA-KRWDZBQOSA-N 449.910 4.149 5 20 IIBD Cc1nc(-c2cccc(NS(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)c2)oc1C 795305324 RDVYIIVHIIFHML-UHFFFAOYSA-N 425.825 4.460 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OC[C@@H](OC(C)C)c2ccccc2)ccc1[N+](=O)[O-] 795371596 PRYBXTKDKPCMNO-FGZHOGPDSA-N 440.496 4.217 5 20 IIBD O=[N+]([O-])c1ccc(N2CCOCC2)c(-c2nc(-c3ccc(Oc4ccccc4)nc3)no2)c1 795724495 XFNLCLOYTBZLRB-UHFFFAOYSA-N 445.435 4.336 5 20 IIBD CN1C(=O)C[C@H](COC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@H]1c1cccc(Cl)c1 796910458 IHLHTHIVFGJIQB-FOIQADDNSA-N 430.888 4.289 5 20 IIBD O=C(OCc1nccn1C(F)F)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 797631398 PRTJXJAIBUDPCF-UHFFFAOYSA-N 435.770 4.428 5 20 IIBD O=C(CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])Nc1ccc(F)c(F)c1 799296393 BTOWCRXDXOCWGW-UHFFFAOYSA-N 443.431 4.393 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)OCC(=O)N(Cc1ccccc1)c1ccccc1 799876106 KARZHBKYKMCSSL-UHFFFAOYSA-N 436.489 4.464 5 20 IIBD O=C(NC[C@H](O)c1cccc(Br)c1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 800556469 JNZTURFFJYGKST-AWEZNQCLSA-N 448.195 4.231 5 20 IIBD C[C@](O)(CSc1cccc(F)c1)c1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 809434233 VDDFKDSTXNMPPQ-FQEVSTJZSA-N 428.445 4.189 5 20 IIBD CN(C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O)[C@H]1CC[C@@H](C(F)(F)F)CC1 813888809 NHILXZZDPNCZQE-KLPPZKSPSA-N 446.813 4.333 5 20 IIBD C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 816819633 KNPBFTMSUFSYQY-GTNSWQLSSA-N 439.346 4.124 5 20 IIBD CC(=O)N(c1nc(COC(=O)c2ccc([N+](=O)[O-])cc2N)cs1)c1cccc(C)c1C 817988247 LVAZOABGJFWVCG-UHFFFAOYSA-N 440.481 4.292 5 20 IIBD O=C(Nc1ccc(-n2nccn2)nc1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 913003714 VCRGGLMZKCOOGA-UHFFFAOYSA-N 436.815 4.269 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Oc1ccc(Cl)cc1Br 913073309 VMINWFSSWSUBSD-UHFFFAOYSA-N 427.059 4.432 5 20 IIBD CCN(C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cccc(C)c1 914471864 GYXMLKFLOBTACL-UHFFFAOYSA-N 440.477 4.338 5 20 IIBD O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccc(Br)c(C(F)(F)F)c1 917722519 DSGXFLJEPYIQCP-UHFFFAOYSA-N 443.172 4.316 5 20 IIBD COc1ccc2[nH]cc(C3=CCN(C(=O)c4cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c4)CC3)c2c1 918115581 OLSPZROKJSLKEZ-UHFFFAOYSA-N 436.424 4.231 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 918399974 WOYXUVXZVMNZSE-UHFFFAOYSA-N 437.352 4.043 5 20 IIBD COc1ccc(COC(=O)c2ccccc2C(=O)N(C)C2CCCCC2)cc1[N+](=O)[O-] 918877522 FITFNEOUQVTJJV-UHFFFAOYSA-N 426.469 4.365 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc2ccccc2c1 919221503 KFVSLSSRXKGPAM-UONOGXRCSA-N 437.408 4.079 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)CCc1cc(F)ccc1F)c1cccc([N+](=O)[O-])c1 919849557 JFVFWDRAUCSRFQ-LJQANCHMSA-N 446.450 4.434 5 20 IIBD Cc1ccc(NC(=O)Cc2nc(COC(=O)c3cc(C)cc([N+](=O)[O-])c3)cs2)cc1 920899997 IBWJRNCKXPSTPO-UHFFFAOYSA-N 425.466 4.206 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCC[C@@H](c3nnc4n3CCCCC4)C2)c(Br)c1 1255175339 KPHQNKCFHDHSKR-OAHLLOKOSA-N 434.338 4.055 5 20 IIBD CC(C)n1nc(-c2ccco2)cc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1N 1321448955 MKFLEPOTPCMGBU-UHFFFAOYSA-N 434.250 4.229 5 20 IIBD C[C@@H](OC(=O)c1cc2c(nc1O)CCC(C)(C)C2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 1334628388 XXOJUBQEZVYDIE-LLVKDONJSA-N 447.875 4.048 5 20 IIBD CSCC[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)OCc1csc(C)c1 1349801031 AJARBJFPOMLHKU-OAHLLOKOSA-N 442.946 4.213 5 20 IIBD COC(C)(C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])CCC2)cc1 1785896511 YWTQFEQNHVZJAS-NTEUORMPSA-N 437.496 4.167 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3nc[nH]c3[N+](=O)[O-])CCC2)cc1)c1ccccc1Cl 1790224285 MMJLXAZPSMEOMY-UHFFFAOYSA-N 439.859 4.033 5 20 IIBD O=C(C1CCCCC1)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3cccc([N+](=O)[O-])c3)CCC1)C2 1795430424 YQXFRYSNYIFJHQ-WKCHPHFGSA-N 439.556 4.235 5 20 IIBD Cc1cc(C)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(F)c2[N+](=O)[O-])c(C)c1 1800530190 ARUDZPYMLIWWII-BCDXTJNWSA-N 439.487 4.225 5 20 IIBD C[C@@H]1CCC[C@H]1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)[nH]n1 1818952978 LLWQBOUZOUBPIG-NFZMGSSQSA-N 441.488 4.053 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)C2CCCCC2)[nH]n1)c1ccc([N+](=O)[O-])cc1F 1821051973 OTGUEMFJFFSUPD-LJQANCHMSA-N 443.479 4.343 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(F)c2[N+](=O)[O-])n[nH]1 1821167901 RZEWUCPOZQGJPM-SUMWQHHRSA-N 431.468 4.199 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1)c1cccc2ccoc12 1821532338 FUOSJZKKAPCDRA-INIZCTEOSA-N 449.423 4.277 5 20 IIBD CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)[nH]n2)CCCCC1 1822329773 RDDMJUFFOQMOEP-OAHLLOKOSA-N 429.477 4.187 5 20 IIBD CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCc2cc(C)c(F)cc2[N+](=O)[O-])CC1 1826586079 AAODNSJUBLSUDN-NRFANRHFSA-N 433.524 4.005 5 20 IIBD C[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1)c1cccs1 1832147419 RDXGRBPESJUWAX-MAUKXSAKSA-N 444.557 4.021 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1 3468431 UXCVDOREZHCXBS-UHFFFAOYSA-N 440.477 4.167 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(OCc2cn3cc(C)ccc3n2)c1 11608144 LRBLDLVVWXEJNE-UHFFFAOYSA-N 432.436 4.391 5 20 IIBD CCn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1ccc(F)cc1 14081582 WWZNCGQZLNOTKR-UHFFFAOYSA-N 435.868 4.397 5 20 IIBD C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(Br)cc1 15621220 QQRGQLZGDKGIRR-AWEZNQCLSA-N 432.318 4.451 5 20 IIBD COc1cc(CCNC(=S)Nc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])cc1OC 16946362 FKXYQQPPLZKRBB-UHFFFAOYSA-N 430.313 4.448 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 19284860 IZRYHLRNTSRVSV-SECBINFHSA-N 446.765 4.460 5 20 IIBD COc1ccc(C(=O)OCC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)cc1[N+](=O)[O-] 19312932 NNHLTZNREHGDJX-UHFFFAOYSA-N 444.459 4.261 5 20 IIBD COc1ccc(-c2nc(C)c(C(=O)O[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])s2)cc1 19619317 YRRKUAHKXZENMU-ZDUSSCGKSA-N 441.465 4.219 5 20 IIBD CNC(=O)Nc1cccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c1 29617310 OURARSFRUOJJOZ-GJZGRUSLSA-N 425.489 4.081 5 20 IIBD COC(=O)c1cc(C(=O)N[C@H](C)c2ccc(-c3csc(C)n3)cc2)cc([N+](=O)[O-])c1 30890998 QOUBDXGQWAHLML-GFCCVEGCSA-N 425.466 4.304 5 20 IIBD CCOc1cc(C(=O)NCc2ccccc2CN2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OC 58952416 XRFHINJRWWOOLQ-QGZVFWFLSA-N 441.528 4.164 5 20 IIBD COc1cccc(N2C(=O)c3ccccc3N[C@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 63494629 UGTODTPPMZYOKY-JOCHJYFZSA-N 433.420 4.146 5 20 IIBD COc1cc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc(OC)c1Br 115248072 ZIQXYJXOCWQHFY-UHFFFAOYSA-N 447.245 4.017 5 20 IIBD COc1ccc(F)cc1CN1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 195609847 GSLWOZOHVYDAMI-UHFFFAOYSA-N 429.495 4.494 5 20 IIBD C[C@@H]1C[C@@H](C)CN(Cc2ccc(CNc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])cc2)C1 301095863 MRNCFPIRLDVQEP-IAGOWNOFSA-N 431.558 4.088 5 20 IIBD COc1ccc([C@@H](Nc2ncc(Cl)cc2[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 301743987 MSPURFFYUZOJNI-LJQANCHMSA-N 447.900 4.257 5 20 IIBD O=[N+]([O-])c1cc(I)ccc1Oc1ccc2ncccc2c1[N+](=O)[O-] 302346947 AOAZNIQFAGUHJX-UHFFFAOYSA-N 437.149 4.448 5 20 IIBD Cc1c([C@H](NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C(C)C)oc2ccccc12 303448931 JWFHIBQFYDLXGG-LJQANCHMSA-N 430.482 4.180 5 20 IIBD COC(=O)[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(OC(F)F)cc1 428060558 UBLKUMLVMZHNRA-KRWDZBQOSA-N 449.435 4.324 5 20 IIBD Cc1noc(C[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2)n1 429517894 SHFDVMZEYKKOCN-HNNXBMFYSA-N 432.889 4.132 5 20 IIBD O=C(Nc1cccc(CN2CCCCC2=O)c1)c1ccc(Br)cc1[N+](=O)[O-] 429818955 SFSMTLBILNJQBI-UHFFFAOYSA-N 432.274 4.122 5 20 IIBD Cc1cc(Br)cnc1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 430084567 XYRSHGTVVFCQIM-UHFFFAOYSA-N 444.289 4.175 5 20 IIBD O=C(COc1c(Br)cccc1[N+](=O)[O-])NCCCSc1ccccc1 431233875 GCPWQFRNPSEMAU-UHFFFAOYSA-N 425.304 4.035 5 20 IIBD CCN([C@H](c1cccnc1)c1ccc(F)cc1F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 431908172 YQZFJHFGDLLMHX-HXUWFJFHSA-N 433.436 4.068 5 20 IIBD CCCc1c(NC(=O)c2cc(C(=O)OCC)cc([N+](=O)[O-])c2)cnn1-c1ccc(C)cc1 432541300 INDQGTXBYSLPNA-UHFFFAOYSA-N 436.468 4.470 5 20 IIBD COc1cccc(NC2CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)CC2)c1 433149855 UTJQFUVHXKIXBM-UHFFFAOYSA-N 434.290 4.083 5 20 IIBD CSc1ccc(C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] 435374682 JQRXDQUJLKZQPH-GOSISDBHSA-N 437.525 4.213 5 20 IIBD CN(C)C(=O)c1cc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)ccc1Cl 436088993 NESZBFLCVQGNEE-UHFFFAOYSA-N 437.858 4.428 5 20 IIBD CCN(C)Cc1cccc(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 436125781 DBPYCTOIDKQKDZ-UHFFFAOYSA-N 435.474 4.341 5 20 IIBD O=C(NCc1ccc(OCC2CC2)nc1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436296577 VBDREEZUNDYTAA-UHFFFAOYSA-N 435.430 4.073 5 20 IIBD CCc1nc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)nn1-c1ccccc1Cl 437088998 FIFCLNCBCBDYCH-UHFFFAOYSA-N 425.876 4.196 5 20 IIBD CCOc1ccc(NC(=O)CN2CCC[C@H]2c2nc3ccccc3n2CC)c([N+](=O)[O-])c1 437649839 JOWFEOLRSBBHJZ-FQEVSTJZSA-N 437.500 4.139 5 20 IIBD CC[C@H](C[C@H](C)CO)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] 439712075 DNVILUVYSNGFHM-DOTOQJQBSA-N 435.546 4.221 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cc(OC)c(Br)c(OC)c1 439900019 KZOLNOCZWPBRSC-UHFFFAOYSA-N 440.250 4.417 5 20 IIBD Cc1cc(C(=O)N(C[C@@H]2CCN(Cc3ccccc3)C2)CC(F)(F)F)ccc1[N+](=O)[O-] 440441936 SQWAPXAPCPAXSP-GOSISDBHSA-N 435.446 4.430 5 20 IIBD O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCN(Cc2cccnc2)CC1 442267593 IOACUJXNUQMATM-UHFFFAOYSA-N 434.521 4.099 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1 443951112 WYYQVYZYWGZASI-SFHVURJKSA-N 426.517 4.233 5 20 IIBD Cc1cc(NC(=O)CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)ccc1Br 443960763 PWXOTDSDOYRCBL-UHFFFAOYSA-N 435.278 4.043 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 445180464 AZICTGIUVOJLTR-CQSZACIVSA-N 449.307 4.362 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](c3cccc(Cl)c3)OC[C@H]2C)cc1OC 446253056 NQGBMDYUIJMZED-XCLFUZPHSA-N 434.876 4.258 5 20 IIBD CCOc1cc(NC(=O)Nc2cccc(-c3nnc(C)n3C)c2)c([N+](=O)[O-])cc1OCC 448374502 LEGZMIMKTNPXLB-UHFFFAOYSA-N 440.460 4.140 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 461431137 QTWAMWNCJXKIGO-DFQSSKMNSA-N 425.554 4.056 5 20 IIBD CCN(Cc1cccc(F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCOC1 461535696 TVQAHSGXOOPZDI-QGZVFWFLSA-N 425.464 4.055 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2CCCC3(CCOCC3)C2)c([N+](=O)[O-])c1 462896653 QCDBTDPOZKZTLN-UHFFFAOYSA-N 438.480 4.009 5 20 IIBD CN(CC(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccccc1[N+](=O)[O-] 463360334 KBOCLMWFGRXXRG-FQEVSTJZSA-N 428.492 4.461 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 463947505 GLQOOHGHNVGYLX-HXUWFJFHSA-N 432.908 4.060 5 20 IIBD Cn1c(CNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])nnc1C1CC1 468348017 AQIKPMZXLYGKCX-UHFFFAOYSA-N 443.916 4.335 5 20 IIBD Cc1cccc(NS(=O)(=O)c2ccc(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)cc2)c1C 473357247 ALXGKPAEBXFJKD-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3nc4cccnc4n3C)cc2[N+](=O)[O-])n1 474614681 PBMHQCFEMHKDPF-UHFFFAOYSA-N 426.483 4.045 5 20 IIBD COc1cc(Br)c(CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cc1OC 475638200 NDYQKBAXCPXBTB-UHFFFAOYSA-N 438.278 4.313 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 477334723 BJLKKQYFCQWUGF-NRFANRHFSA-N 436.418 4.323 5 20 IIBD CN(C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)c1ccn(C)n1 478637191 FWIJJISAHXOXRK-UHFFFAOYSA-N 425.495 4.366 5 20 IIBD COc1ccc(-c2nnc(NC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)s2)cc1 481981093 NSACYPWSFNBLGL-UHFFFAOYSA-N 425.470 4.318 5 20 IIBD C[C@@H](NCCCNC(=O)c1cccc(O)c1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 482040389 JXGLOWODCZKNKS-OAHLLOKOSA-N 425.510 4.500 5 20 IIBD CC(=O)N[C@@H](C)C1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 482519124 OJEBCKNINUNLDK-SFHVURJKSA-N 447.539 4.184 5 20 IIBD CCn1nnnc1-c1cccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 485509011 XJARIIGASCKAKV-UHFFFAOYSA-N 444.451 4.100 5 20 IIBD CNC(=O)c1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1Cl 485754972 HCXQHVCSKUHEOQ-UHFFFAOYSA-N 439.855 4.439 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2nc(-c3ccncc3)cs2)cc1SC 488186352 RZDTXLHAVMWBFG-LLVKDONJSA-N 430.511 4.335 5 20 IIBD O=C(Nc1ccccc1CN1CCc2ccccc21)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 488373067 MUSOMIAPWAXPFQ-UHFFFAOYSA-N 446.511 4.223 5 20 IIBD O=C(NC[C@@H](CO)Cc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 490210689 PLDYFQDNDBCCOS-KRWDZBQOSA-N 440.496 4.466 5 20 IIBD O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cc([N+](=O)[O-])ccc1SCCO 498069882 OMOJATQIYMHYMQ-UHFFFAOYSA-N 440.506 4.308 5 20 IIBD CC(C)Oc1nnc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)s1 498070843 DDGHUUOBPBCSTH-QMMMGPOBSA-N 436.437 4.372 5 20 IIBD COCCN(c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@H](C)c1cccc(C(F)(F)F)c1 498985835 VRKBKLCOGNOHNV-CYBMUJFWSA-N 446.447 4.231 5 20 IIBD CCOC(=O)c1cnc(C)c(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1 506529876 DTIXYNFSAKJEKG-GASCZTMLSA-N 440.500 4.210 5 20 IIBD COCc1nc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1 508361845 MGZKAQALRVHOEP-UHFFFAOYSA-N 425.510 4.459 5 20 IIBD Cc1noc(C2(C)CCN(C(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)CC2)n1 511331327 CRKURITVDCWOLO-UHFFFAOYSA-N 435.484 4.092 5 20 IIBD COc1cc(CN2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c([N+](=O)[O-])cc1OCC(F)F 511785958 LXDLWDYGMQPQCK-QRVBRYPASA-N 448.466 4.252 5 20 IIBD Cc1nn(-c2ccccc2)cc1CCCN[C@H](c1cccc([N+](=O)[O-])c1)c1nccn1C 513667171 PTXOFPZRLULQIA-HSZRJFAPSA-N 430.512 4.134 5 20 IIBD COCCn1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)cn1 515818379 UOKROCPOFMQXNG-UHFFFAOYSA-N 432.889 4.495 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(C)cc1Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 517544893 BISBHJRSZVMMNJ-UHFFFAOYSA-N 432.436 4.031 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCc1ccc(COCc2ccccc2)cc1 517914735 YIIANQHGADSDCZ-UHFFFAOYSA-N 446.912 4.444 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccc(-c3nc[nH]n3)cc2)cc1[N+](=O)[O-])c1ccccn1 518425350 NSRIDNYCOMLAQD-AWEZNQCLSA-N 429.440 4.200 5 20 IIBD Cc1cccc(Oc2ncccc2NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)c1C 518615015 PUHQCOAGALLXDO-UHFFFAOYSA-N 441.465 4.055 5 20 IIBD CC(=O)Nc1cccc(OCCNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c1 519123618 OZTJOEJEZJTKDM-UHFFFAOYSA-N 434.452 4.106 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)N2CCC[C@@H](C)C2)cc1C 520769070 ZLTUBRYQWBDKEC-OAHLLOKOSA-N 445.541 4.139 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CCC(Oc2ccccc2Cl)CC1 532804195 GHODCIRGBAGOOB-UHFFFAOYSA-N 427.844 4.186 5 20 IIBD Cc1ncc2c(n1)CCN(Cc1ccc(-c3ccc([N+](=O)[O-])cc3Br)o1)C2 535788632 RIDQBEZNFSQHIS-UHFFFAOYSA-N 429.274 4.274 5 20 IIBD COc1cc(CCNC(=O)c2cc3ccccc3cc2OC(F)F)c([N+](=O)[O-])cc1OC 536385749 ICGGPCMIGHTJFH-UHFFFAOYSA-N 446.406 4.339 5 20 IIBD Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc12 537721843 QEDZOORERNDLRR-MRXNPFEDSA-N 436.516 4.145 5 20 IIBD CC(C)[C@@H]1C[C@@H](NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 539030998 IIVUDKKESQCWBS-REWPJTCUSA-N 448.523 4.310 5 20 IIBD COc1ccc(C[C@@H](NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1OC 539258649 AHTHCUUINPRDMV-JOCHJYFZSA-N 449.507 4.148 5 20 IIBD COc1cccc(CN(C[C@@H]2CCCO2)C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])c1 540546291 DOCUHQQHXVLFGY-NRFANRHFSA-N 447.491 4.487 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@H](COc2ccccc2F)c2ccccc2)s1 541189232 KFZKZWWIKLOOHV-OAHLLOKOSA-N 436.486 4.431 5 20 IIBD C[C@@]1(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCCN(C(=O)c2ccccc2)C1 541997427 OIHNYNLGVXFBCX-HXUWFJFHSA-N 435.402 4.495 5 20 IIBD COc1ccc([C@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc2Cl)cc1 545365683 BGYXQPVFGMVHDD-NRFANRHFSA-N 446.912 4.466 5 20 IIBD C[S@@](=O)Cc1noc(C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)n1 545752565 SRLAJFFNUGFUOA-SCBRZKQZSA-N 440.506 4.249 5 20 IIBD COc1ccc(CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H](C)C2CC2)c(OC)c1 549178275 QRMRDVPITYEFBN-OAHLLOKOSA-N 428.485 4.279 5 20 IIBD COc1ccc(CC(=O)NCC2(c3ccc(Br)s3)CCC2)cc1[N+](=O)[O-] 552604053 NQMHBGCRZLLSMU-UHFFFAOYSA-N 439.331 4.208 5 20 IIBD COC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1cccnc1 554245574 DHMZOWACLGKGKS-IBGZPJMESA-N 441.827 4.080 5 20 IIBD O=C(c1cccc(Cl)c1)N1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 555300248 BFVKPLKPCGRARM-UHFFFAOYSA-N 427.810 4.225 5 20 IIBD CCOc1ccc(Br)cc1NC(=O)c1cc(OCC)c(OC)cc1[N+](=O)[O-] 556466222 KUYFFXXHDYRXCN-UHFFFAOYSA-N 439.262 4.416 5 20 IIBD COCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1F 557054841 FETUEDULTDGSFQ-UHFFFAOYSA-N 427.226 4.082 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(Cc3cc(Cl)ccc3Cl)no2)c1N1CCOCC1 558325352 AOHZAGHQYCBEOV-UHFFFAOYSA-N 435.267 4.379 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N(C)C[C@@H](O)Cc3ccccc3)cc2[N+](=O)[O-])n1 560770543 KOTHTUYLGSKXNZ-KRWDZBQOSA-N 443.550 4.187 5 20 IIBD COc1ccc(CC(=O)N2C[C@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1[N+](=O)[O-] 561446401 VBOPDCYDEAJWAY-ORAYPTAESA-N 438.402 4.153 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 563782414 VAOOILFWSFUUGY-JRGCBEDISA-N 433.512 4.160 5 20 IIBD Cn1cnnc1Sc1ccc(-c2nc(-c3cccc(C(F)(F)F)n3)no2)cc1[N+](=O)[O-] 582697728 PBOADMXKFBQZCR-UHFFFAOYSA-N 449.374 4.005 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC2(CC1)OCc1ccccc12 585701055 ZYEZQLPOYMWJRW-UHFFFAOYSA-N 431.286 4.327 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(-c3sc(N4CCOCC4)nc3-c3ccccc3)n2)s1 589147123 VUQONXKIYYZPND-UHFFFAOYSA-N 441.494 4.333 5 20 IIBD COc1ccc(C2=NN(C(=O)CNc3cc([N+](=O)[O-])ccc3C)[C@H](c3ccco3)C2)cc1 603471956 XCPMFMJGQMBSAA-NRFANRHFSA-N 434.452 4.295 5 20 IIBD Cc1nc(N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc(C(F)(F)F)n1 603562740 VQNZEUWADOQVDI-UHFFFAOYSA-N 435.328 4.057 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)c(F)c1 604037827 QKHFRLUSMJCDGL-UHFFFAOYSA-N 439.852 4.097 5 20 IIBD COc1ccc([C@H](NC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c2ccc(C)cc2)cc1 604427401 LTKIBMFGTIJGKJ-JOCHJYFZSA-N 433.464 4.065 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 604471421 RVNUZVRJNGUEIA-UHFFFAOYSA-N 440.500 4.124 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC=C(c2cccc3ccccc23)CC1 604492591 BWDDKZPOHYMSEN-KRWDZBQOSA-N 429.476 4.182 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3n[nH]c(C)c3-c3ccccc3)cc2)c(C)c1[N+](=O)[O-] 604532955 BMZCEGGGCIUJJV-UHFFFAOYSA-N 430.468 4.407 5 20 IIBD CCOc1ccc(-c2nc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)sc2C)cc1 608931720 ZZRFIUJXMLZZAF-UHFFFAOYSA-N 441.465 4.449 5 20 IIBD COC(=O)c1ccccc1N(C)C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 609095031 SFUSXCDSRTXNNT-OAHLLOKOSA-N 434.452 4.226 5 20 IIBD COc1ccc2nc(/C=C\c3cc(OC)c(OCC(=O)O)cc3[N+](=O)[O-])cc(Cl)c2c1 609323131 UWIDEBRRBJDUIM-ARJAWSKDSA-N 444.827 4.447 5 20 IIBD CCN(Cc1cc(Br)ccc1F)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 609467896 ZGXCFDAOMXJYSG-UHFFFAOYSA-N 440.269 4.107 5 20 IIBD COC(=O)c1cc(NC(=O)c2cnn(-c3cccc(C)c3)c2C(F)(F)F)cc([N+](=O)[O-])c1 609884672 XCFTUDVRDUFMLY-UHFFFAOYSA-N 448.357 4.147 5 20 IIBD COC(=O)c1cc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c(Br)cc1F 612476298 CSFOGSJJKMEDPT-MRVPVSSYSA-N 443.200 4.164 5 20 IIBD COC(=O)c1ccc(OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1[N+](=O)[O-] 613112938 LKFHLCNBUVKMAR-UHFFFAOYSA-N 433.631 4.359 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C 725797501 DEFITNKZFFGLRB-ZWKOTPCHSA-N 446.548 4.096 5 20 IIBD C[C@H](OC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C(=O)N[C@H](C)c1cccc2ccccc12 725936764 JAQNYWPIVVPGKJ-OLZOCXBDSA-N 428.391 4.449 5 20 IIBD CC(C)(CNC(=O)c1cc([N+](=O)[O-])ccc1I)c1ccc(F)cc1 728485186 UEIUHRWKIYBJCH-UHFFFAOYSA-N 442.228 4.046 5 20 IIBD O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccnc(Oc2ccccc2)c1 729192817 MSZZCGVQETXATI-UHFFFAOYSA-N 434.452 4.251 5 20 IIBD CC(C)(C)c1ccc(C(=O)O[C@H](C(N)=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 729701169 YEJVQSGDFLPFCZ-INIZCTEOSA-N 435.274 4.038 5 20 IIBD CCOc1c(OC)cc(/C=C2\N=C(c3c(Cl)cccc3[N+](=O)[O-])OC2=O)cc1OC 730958602 XPWSXIXXMAAYKV-JYRVWZFOSA-N 432.816 4.009 5 20 IIBD CC(C)COc1ccc(C2(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CCC2)cc1 731739150 FJZSILCBJJDHRI-UHFFFAOYSA-N 444.459 4.372 5 20 IIBD C[C@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])c1nc2ccc(Cl)cc2[nH]1 732568549 AMPXFKPQSGCVOJ-QMMMGPOBSA-N 430.820 4.294 5 20 IIBD Cc1ccc(NCCCNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c([N+](=O)[O-])c1 740488839 CCATWWKVVLBQLV-UHFFFAOYSA-N 429.477 4.234 5 20 IIBD Nc1ccc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)cc1[N+](=O)[O-] 742776992 PMOTXPHSHGYNSZ-NRFANRHFSA-N 439.855 4.121 5 20 IIBD CCOC(=O)c1c(NC(=O)Cn2cc([N+](=O)[O-])nc2C)sc(C)c1-c1ccc(F)cc1 743619089 KARHFFUPMQFNMT-UHFFFAOYSA-N 446.460 4.091 5 20 IIBD CC(C)(C)OC(=O)NC[C@](C)(NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 744365695 JTUYPXRFYCSWEH-SFHVURJKSA-N 431.411 4.037 5 20 IIBD CSc1cccc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1 744561717 CZOYVQKFBNAUOT-CQSZACIVSA-N 429.498 4.101 5 20 IIBD C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)OCc1cc(Cl)ccc1[N+](=O)[O-] 746062907 PWNBZWJTUIHPIA-NSHDSACASA-N 426.853 4.191 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccc(Cl)c(C(F)(F)F)c1 747111759 KGNKATQFOVIAGU-SECBINFHSA-N 446.765 4.460 5 20 IIBD O=C(OCC(=O)N1CCC[C@H]2CCCC[C@@H]21)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 747956342 GUSBUUFXVTVFFJ-KDOFPFPSSA-N 429.498 4.056 5 20 IIBD COc1cc(C(C)=O)ccc1Sc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] 749902714 YSBKIZHYRUIBFE-UHFFFAOYSA-N 435.401 4.251 5 20 IIBD Cc1ccc(F)cc1NC(=O)[C@H](C)OC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 751634356 JSHNEOMYJCBIPH-NSHDSACASA-N 426.853 4.358 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 752741730 SMDQRDVTRIRLIA-YESZJQIVSA-N 432.521 4.369 5 20 IIBD C[C@@H](C(=O)N1CCO[C@H](c2ccccc2Br)C1)c1ccc([N+](=O)[O-])cc1F 754394126 HKYFLPTWEUQYIA-XIKOKIGWSA-N 437.265 4.200 5 20 IIBD CC(C)[C@@H](OC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)N1CCc2sccc2C1 755059628 CMHBTJIHPKWGPX-ORAYPTAESA-N 434.489 4.052 5 20 IIBD CC(C)[C@@H](OC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)N[C@@H]1CCOc2ccccc21 755066806 OXVASCWXENHAPI-UQIDSAAFSA-N 444.459 4.045 5 20 IIBD Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)Cc1ccc([N+](=O)[O-])cc1Br 755143079 UEPXTRPPPCBYOG-XLIONFOSSA-N 444.329 4.043 5 20 IIBD C[C@@H]1C[C@@H](CCNC(=O)c2cccc([N+](=O)[O-])c2Br)CN1Cc1ccccc1 758860543 DHLKRAJNQOQKBV-NVXWUHKLSA-N 446.345 4.388 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCCc2ccc(Cl)nc2)cc1[N+](=O)[O-])c1ccccn1 760696287 ZAJLFDHBYOTYQG-AWEZNQCLSA-N 425.876 4.184 5 20 IIBD CCC[C@H](NC(=O)c1ccccc1)c1noc([C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 762306888 FWQCOYMMLYMGEF-LPHOPBHVSA-N 435.440 4.115 5 20 IIBD CC(C)(C)C(=O)c1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 765723953 KOMCBCSPRLKQOG-IBGZPJMESA-N 434.539 4.260 5 20 IIBD CCN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 766487220 VQYCDLJEKXJXAX-UHFFFAOYSA-N 439.415 4.373 5 20 IIBD C[C@H](OC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 767689283 LXJRXPVQWKMHAH-NEPJUHHUSA-N 425.268 4.253 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)[C@H](C)Oc2cccc3ccccc23)c([N+](=O)[O-])c1 769378507 GNVOJJNTJTUQNU-HNNXBMFYSA-N 438.436 4.096 5 20 IIBD O=C(COC(=O)c1cc(Br)ncc1[N+](=O)[O-])c1ccc(Cl)cc1Cl 769838328 VTODEAMFRINPMS-UHFFFAOYSA-N 434.029 4.099 5 20 IIBD Cc1cn2c(CN(C)C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)c(C)nc2s1 770884979 YARBLOKQHLMILH-UHFFFAOYSA-N 441.282 4.095 5 20 IIBD CC(C)(C)c1nnc2ccc(C(=O)OCc3ccc(Br)c([N+](=O)[O-])c3)cn12 773465799 MKKOFFPPNKDYMJ-UHFFFAOYSA-N 433.262 4.055 5 20 IIBD Cc1ccc(F)cc1NC(=O)[C@H](C)OC(=O)c1sc(Br)cc1[N+](=O)[O-] 773603116 MAPTWUYPAGOAQD-QMMMGPOBSA-N 431.239 4.050 5 20 IIBD Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1cc([N+](=O)[O-])c2nsnc2c1 778223175 JGHRHEPDZRPZAW-UHFFFAOYSA-N 449.496 4.145 5 20 IIBD CC(C)(C)OC(=O)N1CCCc2c(C(=O)NCCc3ccccc3[N+](=O)[O-])cccc21 778936685 PLJRVRGNUHTPTH-UHFFFAOYSA-N 425.485 4.255 5 20 IIBD C[C@@H]1CCCC[C@@H]1N(C)C(=O)COC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781258266 ZMNPRHUWDVQRIK-XCLFUZPHSA-N 442.462 4.153 5 20 IIBD COc1cc(C(=O)OC[C@H]2CCC3(CCCC3)O2)c([N+](=O)[O-])cc1OCc1cscn1 783173803 QEKWBEGUJBKRNK-OAHLLOKOSA-N 448.497 4.288 5 20 IIBD CN(C)C(=O)c1cc(F)ccc1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 784826326 TWQJASOOUBPOKN-UHFFFAOYSA-N 437.427 4.267 5 20 IIBD C[C@@H]1[C@@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)CCN1C(=O)OC(C)(C)C 786615871 WEFVRFMEWURBMD-HIFRSBDPSA-N 445.438 4.131 5 20 IIBD Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 787453623 NWUIZHQXWKZJHU-HZPDHXFCSA-N 439.512 4.489 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)OCc2ccc(F)cn2)cc1[N+](=O)[O-] 787572610 YFDDHXRVLQRKQV-UHFFFAOYSA-N 426.425 4.439 5 20 IIBD COc1cc(COc2ccc(C=O)cc2Br)c([N+](=O)[O-])cc1OC(F)F 791170165 IZAIEIBUQXYVMP-UHFFFAOYSA-N 432.173 4.359 5 20 IIBD CN(C)c1cc(F)c(C(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)cc1[N+](=O)[O-] 791208564 KDZUACKPXFBQCW-HXUWFJFHSA-N 434.899 4.020 5 20 IIBD COc1cc([C@@H](C)NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1OCc1ccncc1 792876028 KFMLNCUSJKYAQF-OAHLLOKOSA-N 438.440 4.336 5 20 IIBD CCC[C@H](Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)[C@H](O)c1ccccc1 795207625 ONMPYYMWXWWEQA-FXAWDEMLSA-N 428.876 4.108 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)C1=Cc2cc(Br)ccc2OC1 795635740 OPOHOSNXJZFZFA-UHFFFAOYSA-N 439.287 4.149 5 20 IIBD Cc1nc(C)c([C@@H](C)N(C)C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])s1 796235029 WNIJMZIJWZDAFZ-LLVKDONJSA-N 441.351 4.086 5 20 IIBD CCCc1[nH]nc(C(=O)OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1[N+](=O)[O-] 796267852 OZIOFJLQVUSHEN-UHFFFAOYSA-N 435.651 4.026 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)c1cn2cc(Cl)cc(Cl)c2n1 799625245 DYFUOHFUGPBWLC-GFCCVEGCSA-N 439.230 4.124 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 800602059 LACSIISDAXBLJJ-UHFFFAOYSA-N 442.274 4.382 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 800634790 HGFNZMRYQMHNPJ-MQMHXKEQSA-N 439.365 4.062 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(Br)c2cccnc12 801057001 SAUXPVAFCTWKOY-UHFFFAOYSA-N 445.229 4.385 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 801889860 VIGPUMGMDQVPBP-UHFFFAOYSA-N 441.290 4.017 5 20 IIBD COc1ccc(C2=NO[C@H](CNC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)C2)cc1C 802348951 KQNWMHXVNJHUPS-FQEVSTJZSA-N 440.500 4.025 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 808362378 MIKIBQKXSYDYEH-QAQDUYKDSA-N 434.537 4.067 5 20 IIBD COc1ccc(-c2ocnc2C(=O)O[C@H]2CCCN(c3ccc(F)cc3[N+](=O)[O-])C2)cc1 809003263 OSADATCKCIHFME-KRWDZBQOSA-N 441.415 4.223 5 20 IIBD CC(=O)N(c1nc(COC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cs1)C1CC1 811376373 NWAZKYRDJDSRBT-UHFFFAOYSA-N 430.269 4.230 5 20 IIBD CCOc1ccc([C@H](O)C2CCN(C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 812877991 NBPKEMRZDODFSK-AOMKIAJQSA-N 427.501 4.210 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])cn2)C[C@H](C)O1 812916849 JNHLFSJKSIXWDJ-QWRGUYRKSA-N 425.272 4.163 5 20 IIBD C[C@H](OC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(-n2cccn2)c(F)c1 816288669 BTMVGKLERIEQPQ-ZDUSSCGKSA-N 428.376 4.065 5 20 IIBD CCOC(=O)Cc1c(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)[nH]c2ccccc12 816845444 ONUJVDZCKFITNP-UHFFFAOYSA-N 429.860 4.107 5 20 IIBD C/C(=C/C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)c1ccccc1C(F)(F)F 819212693 VDCHTMQDSDIHPH-PFONDFGASA-N 447.413 4.002 5 20 IIBD CC(C)n1c2ccccc2n2c(S[C@@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)nnc12 847218703 AJJBGCLKFCWPLI-LBPRGKRZSA-N 442.476 4.432 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Oc2cccc([N+](=O)[O-])c2)c1 911876046 WIYANLVVSBNJRJ-UHFFFAOYSA-N 426.450 4.029 5 20 IIBD COc1cc(OC)c(C2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)c(OC)c1 913087976 HGZCXDYNYBNXEQ-UHFFFAOYSA-N 434.876 4.294 5 20 IIBD O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 915124070 CIWOTQUMUPVFBB-UHFFFAOYSA-N 439.324 4.056 5 20 IIBD O=C(CNCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)NCc1ccccc1 915229023 RVUGCDSLOFSMLA-UHFFFAOYSA-N 425.872 4.447 5 20 IIBD CC[C@H]1CCCCN1C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1 915250209 RCTQYYSXXRCXDI-INIZCTEOSA-N 442.468 4.344 5 20 IIBD Cc1cc2oc(=O)cc(COC(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)c2cc1C(C)C 915520820 AJSXHYHGDULBMF-UHFFFAOYSA-N 435.436 4.226 5 20 IIBD C[C@@H](OC(=O)CCOc1ccc(Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 915590036 FTFVTHHTOGZFBU-LLVKDONJSA-N 427.240 4.241 5 20 IIBD CC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1C1CC1 916169401 AEDDFGXSZFKUPU-IBGZPJMESA-N 426.860 4.390 5 20 IIBD CCc1nc2ccc(C(=O)OCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cc2nc1CC 916613928 JKWJEYKSNKORDO-UHFFFAOYSA-N 433.424 4.070 5 20 IIBD CCc1c(C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)[nH]c(C)c1C(C)=O 916953715 VNAGXTZNEJYHKZ-UHFFFAOYSA-N 435.436 4.468 5 20 IIBD COc1cccc(NC(=O)c2ccccc2NC(=O)CCOc2ccccc2[N+](=O)[O-])c1 917568238 UUFDYTXZPOKMOU-UHFFFAOYSA-N 435.436 4.263 5 20 IIBD C[C@@H](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(=O)Nc1cc([N+](=O)[O-])ccc1F 917611640 MYZFAGFJYKJAKQ-NSHDSACASA-N 436.371 4.165 5 20 IIBD Cc1ncc(-c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(Br)c3)cc2)o1 918155268 JVDYJZZOWXZCPH-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 918171466 YSERPLPNSGWHOX-UHFFFAOYSA-N 428.832 4.412 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]1Cc1c(F)cccc1Cl 918446308 UOGHJTJYLXODTG-GFCCVEGCSA-N 440.258 4.213 5 20 IIBD COC(=O)CC1CCN([C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)CC1 918740005 FCILBEFTRJVAOP-NRFANRHFSA-N 445.903 4.203 5 20 IIBD O=C(OCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 919089373 IZHZJKYSECJTKD-SFHVURJKSA-N 437.279 4.292 5 20 IIBD CN(c1ccccc1)c1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cn1 919211598 ORIJPQIKUHTXRN-UHFFFAOYSA-N 440.843 4.207 5 20 IIBD COC(=O)Cc1ccc(OC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 919680475 TXHXKOJQHBYYGU-HNNXBMFYSA-N 435.436 4.098 5 20 IIBD O=C1Nc2ccccc2[C@H]1C1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 1116545024 CAJRJWSTDRABTQ-HXUWFJFHSA-N 445.928 4.315 5 20 IIBD COc1ccc(NC(=O)N[C@H](C)[C@H](OC2CCOCC2)c2ccccc2)c([N+](=O)[O-])c1 1263627642 RJTYCKAKNJCLRL-VFNWGFHPSA-N 429.473 4.050 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 1318771023 DIJFJQDEJZOFNE-UHFFFAOYSA-N 444.797 4.019 5 20 IIBD COC(=O)[C@@H](OC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])c1ccccc1Cl 1321909603 WLBAMPZFOSWEBR-INIZCTEOSA-N 425.846 4.050 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC(Cc2ccccc2C(F)(F)F)C1 1323691393 RGEKYWUXOBVGGC-UHFFFAOYSA-N 430.386 4.114 5 20 IIBD CS(=O)(=O)c1cc(-c2nnc(-c3cc4c(s3)CCCCCC4)o2)cc([N+](=O)[O-])c1 1326256580 ZOTYIBKMGUJTCZ-UHFFFAOYSA-N 433.511 4.436 5 20 IIBD COc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccco4)CCC3)cc2)ccc1[N+](=O)[O-] 1792164197 YWXWQCIILJNFJU-UHFFFAOYSA-N 435.436 4.258 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2occc2c1 1797562745 QTTQFTFRCYWQPC-WKCHPHFGSA-N 447.491 4.226 5 20 IIBD CC[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C3)CC1 1802024384 HVVGCIQGSPKYHX-MRFPZENKSA-N 431.508 4.202 5 20 IIBD CC(C)C1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])C3)CCC1 1803403276 OSNSYWZQTPYYAN-REPLKXPHSA-N 447.963 4.255 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])[nH]n1)c1ccccc1 1820403438 AFMHWQBCQUFFOF-GOSISDBHSA-N 437.431 4.077 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[nH]n1)C1CC1 1823103967 KJFSQZNHTPFBNG-INIZCTEOSA-N 439.497 4.249 5 20 IIBD O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCC([C@@H]2CCCCN2C(=O)CC2CCCC2)CC1 1826265054 ZOPGFTTVYVGMBC-FQEVSTJZSA-N 443.544 4.114 5 20 IIBD CC1(C)CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC2)C1 1831930999 LXOUJFDFXHADQD-OAQYLSRUSA-N 445.535 4.403 5 20 IIBD O=C(C1CCCC1)N1CCC([C@H]2CCCCN2C(=O)Cc2cc(F)ccc2[N+](=O)[O-])CC1 1832887575 SGZOMBXDTDFQRH-OAQYLSRUSA-N 445.535 4.086 5 20 IIBD Cc1c(C(=O)N2CCCC23CN(C(=O)/C=C/c2cccs2)C3)cc(Cl)cc1[N+](=O)[O-] 1845499156 LAYBLEQRNMIINC-AATRIKPKSA-N 445.928 4.149 5 20 IIBD Cc1cc(CCCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H]2CCC[C@@H]2C)c([N+](=O)[O-])cc1F 1847713876 DHFOOUKVDHBFQU-HGWQEYRNSA-N 445.535 4.003 5 20 IIBD COc1cc(NC(=O)C2CCCCC2)c(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1OC 10022069 HXGSRPOVQQILPM-UHFFFAOYSA-N 442.468 4.488 5 20 IIBD CCN(CC)[C@H](CNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)c1ccccc1 11652310 MLAKXSQBHSAXHW-HSZRJFAPSA-N 449.555 4.269 5 20 IIBD Cc1cccc(-c2nc(CC(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3C)cs2)c1 17229674 RUXJUDQPQMDICQ-UHFFFAOYSA-N 425.466 4.060 5 20 IIBD COc1ccc([C@H]2CCCN2C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1OC 23386011 XFPWFCNOLGPJPO-LJQANCHMSA-N 439.512 4.192 5 20 IIBD NC(=O)c1ccc(CN2CCC(c3nc4cc(Cl)ccc4s3)CC2)c([N+](=O)[O-])c1 25036726 XLSVGSZRFLRIAT-UHFFFAOYSA-N 430.917 4.336 5 20 IIBD O=C(COC(=O)c1cc2c(OC(F)F)cccc2[nH]1)Nc1ccc(Cl)cc1[N+](=O)[O-] 25656406 RGVJXXHPIQDZRN-UHFFFAOYSA-N 439.758 4.126 5 20 IIBD O=C(NCc1ccccc1COCc1ccccc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 32255047 DVVQBIDKWHSDAB-UHFFFAOYSA-N 442.475 4.427 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCN(c2ccc(Cl)cc2)CC1 59898072 JZWHLUYFIYQDEL-UHFFFAOYSA-N 431.923 4.157 5 20 IIBD COCCN(C(=O)c1ccc(OC)cc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 60918065 ZCQRURPYERNILA-UHFFFAOYSA-N 431.445 4.159 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 62032958 IFBVZYQVPWKKQB-UHFFFAOYSA-N 432.461 4.126 5 20 IIBD O=C(Nc1nnc(-c2ccccc2Cl)s1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 109270866 DDPRTPMOAYCSTR-UHFFFAOYSA-N 426.845 4.205 5 20 IIBD COC(=O)c1cc(C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)cc([N+](=O)[O-])c1 109654941 KRAKBVQBHJBQPN-UHFFFAOYSA-N 433.420 4.194 5 20 IIBD CNS(=O)(=O)c1cccc([C@@H](C)NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1 237398199 MMMQWXFSTUPDAB-CYBMUJFWSA-N 449.916 4.267 5 20 IIBD Cc1cc(N2CCC(Nc3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])CC2)nc(C)n1 301597515 ZWDBZTFJFLYRFV-UHFFFAOYSA-N 431.496 4.314 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H](C)C3CCOCC3)c([N+](=O)[O-])c2)c(C)c1 301692557 YJKVKWIETQZNTG-INIZCTEOSA-N 433.530 4.239 5 20 IIBD CCCN(CC(=O)Nc1ccc(F)c(F)c1F)c1ncc([N+](=O)[O-])cc1Br 301758279 ZDVYHWXOAQWYGH-UHFFFAOYSA-N 447.211 4.025 5 20 IIBD O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 303385016 MJGADKQIFFMOIH-UHFFFAOYSA-N 445.279 4.465 5 20 IIBD CN(CCc1cccc2ccccc12)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303449756 JGDXRMKECSQHGM-IBGZPJMESA-N 437.521 4.115 5 20 IIBD CN(Cc1cccc(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)c1)Cc1cscn1 303489733 RWSILDMCIPOHBY-UHFFFAOYSA-N 449.492 4.189 5 20 IIBD COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 426207519 WLNRRYXINXYWHU-SFHVURJKSA-N 426.300 4.473 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@@H](C)c3nc(Cc4ccccc4)no3)cc2[N+](=O)[O-])CC1 427222362 ILLGTXHHLLFWKN-KRWDZBQOSA-N 449.511 4.296 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CN[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 430215208 CDWUTPFQXIQRCD-SFHVURJKSA-N 437.418 4.076 5 20 IIBD C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1noc(Cc2ccccc2)n1 430534591 AONGEUKYTQUNPS-QGZVFWFLSA-N 438.487 4.006 5 20 IIBD COc1ccc(CN(CCc2ccccn2)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1 432440644 IHNCAOSLFFAZMH-UHFFFAOYSA-N 436.468 4.284 5 20 IIBD CCN(CC)[C@H]1CCN(C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 437209534 OCRUCGCNVLGDSH-KRWDZBQOSA-N 441.553 4.104 5 20 IIBD CC[C@@H](C)[C@@](C)(O)CNC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 439500020 AOEVFJVZCHLVRW-PEBXRYMYSA-N 430.526 4.075 5 20 IIBD CCO[C@@H]1C[C@@H](NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])[C@@]12CCCO2 441280833 DFBGASWMISOFMA-SJBKTWHCSA-N 428.510 4.202 5 20 IIBD O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCN(c2cccc(O)c2)CC1 442420731 RBVUOHXCGCJJME-UHFFFAOYSA-N 435.505 4.414 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 443967647 YOUSSGRZEVVYKF-LJQANCHMSA-N 432.908 4.060 5 20 IIBD CCNC(=O)N1CCc2ccc(NC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)cc21 444086143 IKYOSLKZWURBIM-UHFFFAOYSA-N 444.466 4.165 5 20 IIBD C[C@@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccc([S@@](C)=O)cc1 444235809 GJMXFAQJYFXLMD-MDQXEJNYSA-N 440.471 4.188 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn23)C1 446480601 UJAMZADJIYWVHP-ZDUSSCGKSA-N 448.405 4.376 5 20 IIBD COC(=O)[C@@](C)(CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])c1ccccc1 447684872 FMKVPCOVFCBMBS-INIZCTEOSA-N 433.333 4.187 5 20 IIBD Cc1cc(C[C@@H](C)NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n(-c2ccccc2)n1 448175874 WPVNZOAODMNPPR-CYBMUJFWSA-N 432.402 4.469 5 20 IIBD Cc1cc(C)cc(C[C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2I)c1 460496362 YNZXQDPMYNCRGO-ZDUSSCGKSA-N 438.265 4.177 5 20 IIBD O=C1C[C@@H](Nc2ccc(COCc3ccccc3)cc2)C(=O)N1c1cccc([N+](=O)[O-])c1 462278656 LVWDJXSMCXUKNE-JOCHJYFZSA-N 431.448 4.056 5 20 IIBD Cc1ccc([C@H](Nc2nc3sccn3c2[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 462940204 BEUMACXCVRZEGK-KRWDZBQOSA-N 442.522 4.217 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(C[C@H](O)COc3cc(Cl)ccc3Cl)CC2)cc1 464780403 WVAAEEQZUKTNKR-INIZCTEOSA-N 441.311 4.185 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N(Cc1cccs1)c1ccc(F)cc1F 466993423 LNGKAIKQZAYRBB-UHFFFAOYSA-N 446.431 4.482 5 20 IIBD Cc1c(O)nc(SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])nc1-c1ccccc1 467209241 ZBTRGEIOABJPGP-UHFFFAOYSA-N 430.873 4.450 5 20 IIBD Cc1c([C@H](C)NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cnn1-c1ccc(F)cc1 467217928 NBGSHMWEPPPDDH-LBPRGKRZSA-N 431.855 4.442 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H](C(C)C)c3ccccc32)cc1OC 468734501 PQKXKSDUMKJKMU-IEBWSBKVSA-N 428.485 4.243 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 470138799 TXNBBYRUYXLHHU-CYBMUJFWSA-N 429.383 4.335 5 20 IIBD CC[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC[C@H]1c1ccccc1 470203509 CMLHUBUFQJBYNV-QRQLOZEOSA-N 441.553 4.303 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 470364011 SUFNJISTOUSDNO-QGZVFWFLSA-N 447.875 4.101 5 20 IIBD COc1ccccc1CN(Cc1cccs1)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 470496799 MCTIQFIUZKOREQ-UHFFFAOYSA-N 432.523 4.275 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NC1(c2c(Cl)cccc2Cl)CC1 470739711 DNVULZNYKZPBIH-UHFFFAOYSA-N 442.686 4.090 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)Cc1ccc(F)c(Br)c1 471044125 KJWGNEOEFLBNDZ-NSHDSACASA-N 425.254 4.256 5 20 IIBD O=C(CCc1nnc(C2CCCC2)o1)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 471156238 IQEBXXFODXOZBS-UHFFFAOYSA-N 434.452 4.438 5 20 IIBD COCCC1(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CCCC1 471856771 MTUPUXDGKSJBEL-QGZVFWFLSA-N 426.517 4.490 5 20 IIBD COc1ccc(Br)cc1C(=O)CCC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 473355721 IDRPNQKYLSTMAN-UHFFFAOYSA-N 425.210 4.107 5 20 IIBD COC(=O)COc1ccc(CNc2ccc(Oc3ccc(F)cc3)cn2)cc1[N+](=O)[O-] 473492948 ZRBQGTYVEXPCPE-UHFFFAOYSA-N 427.388 4.085 5 20 IIBD CC(C)(C)c1cc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n(-c2ncccn2)n1 474853933 NYEUUCYUJQLEBM-UHFFFAOYSA-N 435.488 4.065 5 20 IIBD COCCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 475215292 HTPMZTBHFYHQNU-UHFFFAOYSA-N 441.362 4.023 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1ccc(N2CCc3ccccc3C2)nc1 475638282 NNISMEAMVFZGSQ-UHFFFAOYSA-N 431.496 4.491 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCC[C@H]2Cc2ccccc2)cc1OC 476725784 FDECHZONZTWWGM-AZUAARDMSA-N 442.512 4.160 5 20 IIBD COC(=O)c1cc(F)cc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c1F 478086041 XPOGJUQNVAVCNG-STQMWFEESA-N 447.438 4.394 5 20 IIBD Cc1cc(=O)c(C(=O)N2c3ccccc3[C@@H](C)CC2(C)C)nn1-c1ccccc1[N+](=O)[O-] 479226263 ZSOZZCUXXAXDAB-HNNXBMFYSA-N 432.480 4.382 5 20 IIBD O=C(Nc1ccc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1)c1ccco1 479894176 KQEXJLUTOHSTFL-UHFFFAOYSA-N 434.452 4.314 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c1C 480976390 DXYAOBGKFQEPPO-GOSISDBHSA-N 442.497 4.178 5 20 IIBD CNC(=O)c1cc(Oc2cc(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)ccc2C)ccn1 481183472 BIYVEXWIFJLCSY-UHFFFAOYSA-N 445.435 4.184 5 20 IIBD O=C(COc1ccc(Cc2ccccc2)cc1[N+](=O)[O-])Nc1cccc(C(=O)NC2CC2)c1 481973124 PEJPMECIHLXFIU-UHFFFAOYSA-N 445.475 4.095 5 20 IIBD COc1cc(OC)c(OC)cc1NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 483397277 RDPMTVVVZBCQPD-HUUCEWRRSA-N 443.500 4.355 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1nccn1CC(F)(F)F 484835864 MKNNVDFQTXNWOS-UHFFFAOYSA-N 430.452 4.374 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 485481252 SQWNZLOPILZSGU-UHFFFAOYSA-N 446.431 4.408 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c1 486741796 MRQXQSDIOUJKTJ-CQSZACIVSA-N 436.493 4.455 5 20 IIBD COc1ccc(CC[C@@H]2CCCCN2c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1OC 487641745 XXSOZSAOELMSIN-KRWDZBQOSA-N 448.541 4.007 5 20 IIBD Cc1cc(Br)c(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1Cl 488737186 SATQKJDSBDOXJH-UHFFFAOYSA-N 442.701 4.385 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 489302140 CCAKYAGDBDGOSU-UHFFFAOYSA-N 431.239 4.076 5 20 IIBD C[C@@H](Oc1ccccc1Br)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 489380127 OSIZGRBPCUMUDH-LLVKDONJSA-N 431.246 4.153 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC[C@@H](c1cccs1)N1CCCC1 494218375 BUMWLEYRWGRISC-INIZCTEOSA-N 442.463 4.311 5 20 IIBD CSc1ccc(C(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 494519603 NJXDGNIYAGFQBH-UHFFFAOYSA-N 443.506 4.370 5 20 IIBD CCc1cc(N2CCC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)C2)ncn1 495272351 LBCYDWUKHMUJAZ-GOSISDBHSA-N 447.495 4.138 5 20 IIBD Cc1cc(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c(F)cc1Br 497453068 ZJRZFKMXOXUKFM-UHFFFAOYSA-N 437.269 4.159 5 20 IIBD CCOCCCn1c(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)nc2ccccc21 498193538 JCGGHKZZKBEWJX-UHFFFAOYSA-N 434.399 4.225 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H](C)[C@@H]3CCCOC3)c([N+](=O)[O-])c2)c(C)c1 503272886 AVAPMFJKOWMBFJ-DLBZAZTESA-N 433.530 4.239 5 20 IIBD COC(=O)[C@H]1CC12CCN(C(=O)c1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)CC2 505682034 MMVZOSDAYAEVOL-QGZVFWFLSA-N 444.871 4.456 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(OCCc2ccccc2)c1 506201696 WJIQEKBIDJJEPE-HXUWFJFHSA-N 437.500 4.087 5 20 IIBD O=C(COc1c(Cl)cncc1[N+](=O)[O-])N1N=C(c2ccco2)C[C@@H]1c1cccs1 506543110 XSEVEDBEFFZSFT-CYBMUJFWSA-N 432.845 4.054 5 20 IIBD COc1cc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)ccc1OCc1cscn1 509971625 MQTAACZXTCGBNU-UHFFFAOYSA-N 425.466 4.232 5 20 IIBD Cc1ccc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c(OCCN(C)C)c1 510236325 BGHJOGVYUVFRNJ-UHFFFAOYSA-N 436.306 4.167 5 20 IIBD Cc1c(Br)cc(C(=O)N2CC(Cc3ccc(F)c(F)c3)C2)cc1[N+](=O)[O-] 511755213 RCJFAQAEVPYPHY-UHFFFAOYSA-N 425.229 4.259 5 20 IIBD Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1OC(F)F 513326192 NIHGTBYWYRRCMB-KRWDZBQOSA-N 433.411 4.056 5 20 IIBD Cc1ncsc1CN(C)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 517486916 OIGNWIDOGGDXRX-UHFFFAOYSA-N 442.463 4.254 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1NC(=O)C(C)(C)C 517662922 BCJIFXFKBLDPGY-UHFFFAOYSA-N 425.894 4.342 5 20 IIBD CCCOc1cc(NC(=O)C(=O)N(C)[C@H]2CCCC[C@H]2C)c([N+](=O)[O-])cc1OCCC 518149751 PNWWQEFTLLBCLK-WBVHZDCISA-N 435.521 4.148 5 20 IIBD COc1ccc(-c2nc(NC(=O)COc3ccc([N+](=O)[O-])c(OC)c3)sc2C)cc1 519035924 OBXZCLFQEKAEPN-UHFFFAOYSA-N 429.454 4.061 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1nccn1Cc1ccccc1 520040281 JCIGRHFNUQVQSK-UHFFFAOYSA-N 433.390 4.299 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCCN(C)C2CCCC2)cc1[N+](=O)[O-] 521485071 WHXQPRJTYLQESN-UHFFFAOYSA-N 441.553 4.152 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)cc([N+](=O)[O-])c1 521552820 YNKFZELZHGEKIK-UHFFFAOYSA-N 441.827 4.261 5 20 IIBD CCNc1ccc(C(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1[N+](=O)[O-] 522134974 DYXOTWRWMQRASJ-UHFFFAOYSA-N 433.390 4.161 5 20 IIBD O=C(Nc1ccnc(Sc2ccccn2)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 523376714 DNKKKTFXTFZDEV-UHFFFAOYSA-N 435.509 4.391 5 20 IIBD O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 523716904 IUTNUDUFBVJAQZ-UHFFFAOYSA-N 441.856 4.352 5 20 IIBD O=C(c1ccc(I)cc1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 524652280 KGRDOPRXRDJQQA-MRXNPFEDSA-N 440.262 4.087 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCN(C(=O)c2cc3occc3s2)CC1 524990045 OHSMMFQMWXLSLO-UHFFFAOYSA-N 429.498 4.148 5 20 IIBD CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccc(Br)cn1 531269771 PHZHBFLGFYQXFI-UHFFFAOYSA-N 443.095 4.110 5 20 IIBD O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 533717007 UHVDGOJIVBQCGZ-UHFFFAOYSA-N 432.314 4.134 5 20 IIBD CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 536088115 NUADNLUXGCMCIB-UHFFFAOYSA-N 449.294 4.413 5 20 IIBD COc1ccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1OCc1cccnc1 536167076 FESPPVGPYOVYEU-UHFFFAOYSA-N 432.436 4.240 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 536192601 OKOXSQBQEXCOLB-LBPRGKRZSA-N 438.267 4.098 5 20 IIBD CS(=O)(=O)c1cccc([C@H](NCc2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2F)c1 538712894 YSBBCORKVNARBS-NRFANRHFSA-N 432.448 4.156 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)cc([N+](=O)[O-])c1 540758569 SWFUCIRDKWDDBW-UHFFFAOYSA-N 432.392 4.227 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)NC2(Cc3ccccc3)CCCC2)cc1[N+](=O)[O-] 542587166 MPDZFROOGSCGLW-UHFFFAOYSA-N 437.525 4.160 5 20 IIBD COc1ccc(-c2nc(Cc3c[nH]c4cc(Br)ccc34)no2)cc1[N+](=O)[O-] 545128624 JVABFBKQSGWMLP-UHFFFAOYSA-N 429.230 4.488 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC=C(c2cccc(Br)c2)CC1 545878340 HSSILZQUEUDMFR-UHFFFAOYSA-N 446.301 4.094 5 20 IIBD COc1cc(-c2nc(Cc3ccc(OC(F)(F)F)cc3)no2)cc([N+](=O)[O-])c1OC 547020042 LOEATFLICMNVEQ-UHFFFAOYSA-N 425.319 4.151 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3nc(-c4cccs4)n(-c4ccc(F)cc4)n3)n2)nc1 547199812 HFWINILDJHKRBJ-UHFFFAOYSA-N 449.427 4.079 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)cc1 551778351 DBCGRGOVTFINMU-RTBURBONSA-N 442.459 4.313 5 20 IIBD Cc1cc([C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C2CC2)ccc1F 553622098 RTOHAVPALZTLIG-IBGZPJMESA-N 436.281 4.484 5 20 IIBD COCC[C@@H](NC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 556523982 LLAXZJCEWMAUJO-MRXNPFEDSA-N 440.283 4.043 5 20 IIBD O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 557078094 AMMMAKVLNFKZRD-OAHLLOKOSA-N 445.401 4.214 5 20 IIBD CCN(C)C(=O)c1cccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 558055821 RGZLUPGYLQSTQG-UHFFFAOYSA-N 441.431 4.436 5 20 IIBD CC1(C)CN(C2(CNC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)CCCCC2)CCO1 559669784 SHSILGJYIGYZAK-UHFFFAOYSA-N 443.466 4.157 5 20 IIBD CN(C)c1noc([C@@H]2CCCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2)n1 559959131 MGMFQCBZRVAHGF-CYBMUJFWSA-N 431.880 4.337 5 20 IIBD COc1cc(C(=O)NCCc2ccc(Br)cc2Cl)c([N+](=O)[O-])cc1OC 561680173 QTUBBYACKHKCRH-UHFFFAOYSA-N 443.681 4.000 5 20 IIBD CC(=O)Nc1cc(NCc2cc(I)cc([N+](=O)[O-])c2)ccc1Cl 569629731 HZDLLWVIPCGHBY-UHFFFAOYSA-N 445.644 4.423 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N[C@H]2c3ccccc3CC23CCOCC3)c([N+](=O)[O-])c1 572897217 ZHLJPDHBJBLNEW-QFIPXVFZSA-N 432.480 4.065 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC(C)(C)[C@@H]2c2cnn(C)c2)cc1 574240257 JJBCTUBGXPMWDJ-NRFANRHFSA-N 436.468 4.353 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(-c3sc(N4CCOCC4)nc3-c3ccccc3)n2)cc1 576906164 UJMLRERODOYKBY-UHFFFAOYSA-N 435.465 4.272 5 20 IIBD O=C(N1CCc2sccc2C1)N1CCC[C@@H](c2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 577566651 XQTPSKSJDCFYTR-MRXNPFEDSA-N 439.497 4.064 5 20 IIBD O=[N+]([O-])c1ccccc1-c1ccc(CNCc2ccncc2OC[C@H]2CCOC2)s1 588931926 NIZHQYMXZKGQHW-INIZCTEOSA-N 425.510 4.423 5 20 IIBD C[C@H](C(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c1)n1cccn1 590153687 RSXVEMNRTIGUGW-GFCCVEGCSA-N 447.373 4.262 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1 590374633 UAEBGHUSBFMOQV-UHFFFAOYSA-N 442.903 4.307 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2 590520345 AOVYMNTWBDATTD-UHFFFAOYSA-N 429.476 4.298 5 20 IIBD O=c1c2cc(-c3ccccc3)sc2ncn1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 603677581 OFNOIQSGRJIKIX-UHFFFAOYSA-N 431.433 4.132 5 20 IIBD COc1cc(CCNC(=O)[C@@H](C)Oc2cccc(C(C)(C)C)c2)c([N+](=O)[O-])cc1OC 603752184 IDMHNLDMACVJQT-OAHLLOKOSA-N 430.501 4.036 5 20 IIBD Cc1ccccc1NC(=O)[C@H]1CCc2ccccc2N1C(=O)COc1cccc([N+](=O)[O-])c1 608799996 ZFQLTULSWZNQOL-HSZRJFAPSA-N 445.475 4.269 5 20 IIBD COc1cc(CCNC(=O)Nc2cc(F)ccc2N2CCCCC2)c([N+](=O)[O-])cc1OC 608893412 MTUSSVQCPFIEOR-UHFFFAOYSA-N 446.479 4.106 5 20 IIBD Cn1ccnc1Sc1ccc(Cl)cc1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 608942418 GHBMLDLINNQDPE-UHFFFAOYSA-N 446.872 4.156 5 20 IIBD CN(CCc1ccc(Br)cc1)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 609287779 RMXUQHVNJTUPSY-UHFFFAOYSA-N 432.318 4.272 5 20 IIBD CCCCN(C(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)[C@H](C)c1ccccc1 609943167 JOGBQMZBBZXFHG-MRXNPFEDSA-N 441.484 4.085 5 20 IIBD COc1cc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])cc(OC)c1OCc1ccccc1 609973300 BZVSWFONOLCTQK-UHFFFAOYSA-N 434.448 4.394 5 20 IIBD O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 610016563 JIPSHBOHJSENAO-CYBMUJFWSA-N 437.374 4.462 5 20 IIBD O=C(Nc1ccc(-c2ccccc2)cc1F)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 610141914 JBLWWFAWFMLVHJ-UHFFFAOYSA-N 448.454 4.391 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCc2cc(Cl)c(Cl)cc2[C@H]1C 610728951 XZWUFYXBIGMQQK-NWDGAFQWSA-N 436.295 4.166 5 20 IIBD O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1CC[C@@H](n2cncn2)C1 614439136 DTRVSXIGNMFRDH-CQSZACIVSA-N 429.889 4.078 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)ccc1[N+](=O)[O-] 725948118 KUKADRBRDCNQIU-VIFPVBQESA-N 446.765 4.460 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc(OCc3ccccc3)nc2)cccc1[N+](=O)[O-] 725981993 SHTDZJWLZLIXPW-MRXNPFEDSA-N 435.436 4.061 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 727247293 YZRUNRGIDVAKDF-UHFFFAOYSA-N 438.440 4.387 5 20 IIBD CCN(Cc1cccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c1)C(=O)C(F)(F)F 727806701 YTHXKWGNDNNJEY-UHFFFAOYSA-N 434.374 4.239 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)C1CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 730259095 ORIZIWFUADURRA-MRXNPFEDSA-N 429.521 4.041 5 20 IIBD CN(c1ccc(OC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 731958533 WVTMTZXWIVOYDQ-UHFFFAOYSA-N 446.868 4.293 5 20 IIBD CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)COc3ccc([N+](=O)[O-])c(F)c3)cc2C1 732026262 QFGRIUJRAKCHNL-UHFFFAOYSA-N 445.447 4.045 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CCC[C@H]1COc1ccc(Cl)cc1 732271714 PMTDJBUMYSFVSJ-HNNXBMFYSA-N 427.844 4.186 5 20 IIBD O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 732299708 LCZJDOSNRMICDA-MRXNPFEDSA-N 438.292 4.489 5 20 IIBD COC(=O)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)Cc1ccc2ccccc2c1 733364972 XWSBTARGXYJDPK-KRWDZBQOSA-N 426.856 4.163 5 20 IIBD CS(=O)(=O)c1ccc(-c2csc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])n2)cc1 733644536 JYVFJLRIBBPTNG-UHFFFAOYSA-N 437.886 4.028 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N1CC[C@@H](CN2CCCC2)C1 739926626 QDQFYUBZXSZUMN-HTAPYJJXSA-N 442.947 4.346 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O[C@H]1CCN(c2ccc(Cl)cc2)C1=O 740236912 DWFOVHNHIMOXAF-GTNSWQLSSA-N 439.251 4.018 5 20 IIBD COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 741237960 CRTYFQZIHPDCIE-HNNXBMFYSA-N 442.903 4.088 5 20 IIBD C[C@@H](C(=O)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 742050720 LLHIQIKTQUZAMF-OXQOHEQNSA-N 428.460 4.466 5 20 IIBD Cc1ccc([C@H]2OCCC[C@H]2CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])cc1 742431501 ZJRWTEKMCUZJBX-HNAYVOBHSA-N 440.468 4.479 5 20 IIBD C[C@@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1nc(Cc2ccccc2)no1 744471454 RDZALGDAQGCKJS-MRXNPFEDSA-N 436.468 4.089 5 20 IIBD C[C@H](Oc1cccc(Cl)c1Cl)C(=O)O[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 744741975 VQAIXNUAXBJXPY-ZJUUUORDSA-N 445.230 4.378 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)/C=C(/C)c1cccc(C(F)(F)F)c1 745484910 RKSPSEVLWQKLEQ-WQLSENKSSA-N 438.358 4.207 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)CC[C@H]2CC[C@H](C)O2)c2ccccc2)c([N+](=O)[O-])c1 745710703 ULBSGXIFYLBLSQ-AQOAWAETSA-N 426.469 4.474 5 20 IIBD O=[N+]([O-])c1ccc(Nc2ccccc2)c(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1 745821795 DKXGDFNVWKVGJA-UHFFFAOYSA-N 432.389 4.187 5 20 IIBD COc1ccc(-c2ccc(/C=C3/N=C(c4ccc(NC(C)=O)cc4)OC3=O)o2)c([N+](=O)[O-])c1 746015936 BOBAEVLVEUDXON-YBFXNURJSA-N 447.403 4.166 5 20 IIBD CCc1ccc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)cc1[N+](=O)[O-] 746512006 PJRXDSOPEGHRKW-UHFFFAOYSA-N 438.509 4.370 5 20 IIBD CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C(C)(C)C1 746609540 DJWPHOTZOABYQQ-UHFFFAOYSA-N 446.529 4.190 5 20 IIBD O=C(O[C@@H](Cn1cncn1)c1ccc(Cl)cc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 747221415 QUSGQNBDLNJQHW-INIZCTEOSA-N 440.765 4.457 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 747715155 CYOWPIPPCYMRSN-CQSZACIVSA-N 446.529 4.095 5 20 IIBD CC(C)(C)OC(=O)Nc1cc2ccccc2cc1C(=O)OCCn1ccc([N+](=O)[O-])n1 748118582 JYSUIKXIPTVYGR-UHFFFAOYSA-N 426.429 4.149 5 20 IIBD O=C(OCCn1cnc([N+](=O)[O-])n1)c1oc2ccccc2c1CSC1CCCCC1 749081037 VUXNXKGEGNRCDL-UHFFFAOYSA-N 430.486 4.355 5 20 IIBD O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1cnn(-c2ccc(Br)cc2)c1 751653402 YMSCMXLKYITKJX-UHFFFAOYSA-N 443.213 4.041 5 20 IIBD CCN(CC)Cc1ccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1 754631011 LYQXTTUHNWHELG-UHFFFAOYSA-N 438.297 4.268 5 20 IIBD CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754977413 OFVHZRSFQRTOJB-UHFFFAOYSA-N 441.253 4.176 5 20 IIBD O=C(Nc1ccc(Br)cc1O)c1cc(F)cc([N+](=O)[O-])c1Br 754982323 RRCKZPUGFWWTKV-UHFFFAOYSA-N 434.015 4.217 5 20 IIBD COc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1-c1ccccn1 755012232 BVEOLDABYYOVPG-UHFFFAOYSA-N 441.827 4.114 5 20 IIBD Cn1ccnc1[C@@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 755024357 NJPBGRVKGIMQOW-INIZCTEOSA-N 430.262 4.002 5 20 IIBD CN(Cc1nc(C(F)(F)F)cs1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 755031226 ROOFIIAUQHTAPW-UHFFFAOYSA-N 439.213 4.497 5 20 IIBD C[C@H](OC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)N[C@@H](C)c1cc2ccccc2o1 755068299 UPABNDYSJICSBI-RDBSUJKOSA-N 428.416 4.393 5 20 IIBD Cc1nc(COC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])oc1-c1ccc(Cl)cc1 757070696 XKTWEEYTVUONCK-UHFFFAOYSA-N 430.800 4.146 5 20 IIBD COc1cc(S(=O)(=O)Nc2ccc(CC[C@H](O)c3ccccc3)cc2)ccc1[N+](=O)[O-] 759165641 QYSCVTPBSXMKNU-NRFANRHFSA-N 442.493 4.070 5 20 IIBD CC(C)c1ccc2c(c1)[C@H](NC(=O)c1c3c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO3)CCC2 762742290 RGIOFZLEQFXVHK-MRXNPFEDSA-N 441.440 4.205 5 20 IIBD C[C@H](Sc1nc2ccccc2s1)C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F 762899817 HGVXSNMMIZRCNX-JTQLQIEISA-N 435.458 4.006 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)c1ccnc(Cl)c1F)c1cccc([N+](=O)[O-])c1 763934772 XOOKYIXDIYJKJS-AWEZNQCLSA-N 435.839 4.024 5 20 IIBD CN(OCc1ccccc1)C(=O)c1cc(C(=O)N(C)OCc2ccccc2)cc([N+](=O)[O-])c1 764264789 UJXYOYDERSXABS-UHFFFAOYSA-N 449.463 4.002 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NCc1ncccn1 770048091 UEVOEGCYPYTQEV-VBKFSLOCSA-N 431.477 4.242 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)CC1 773633847 ZRHSQTCDYURLLJ-UHFFFAOYSA-N 442.516 4.473 5 20 IIBD CN(C(=O)c1ccc(I)c([N+](=O)[O-])c1)c1ccc(F)c(Cl)c1 776394418 XJXFBGNUYKWTJE-UHFFFAOYSA-N 434.592 4.269 5 20 IIBD COC(=O)c1cc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c(Br)cc1F 778011863 BRDQKPNYWDADCN-UHFFFAOYSA-N 447.163 4.014 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1nc(C)sc1-c1ccccc1 778857527 JWKYLLMAFURRJS-LBPRGKRZSA-N 441.465 4.219 5 20 IIBD C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1Br)C(=O)Nc1cccc(Cl)c1 781672762 FYGSCILIYAMCAV-SECBINFHSA-N 427.638 4.195 5 20 IIBD CC(C)[C@H](OC(=O)c1cccc([N+](=O)[O-])c1Br)C(=O)N1C[C@@H](C)C[C@@H](C)C1 781678646 UADRTOSJRRPXGH-AHIWAGSCSA-N 441.322 4.043 5 20 IIBD O=C(Nc1cc(F)ccc1SCC(F)F)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781679630 JAGRXQUPMNYJSD-HNNXBMFYSA-N 425.388 4.223 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCc1csc(Nc2ccccc2)n1 781735212 CQBPZJGXWULIEV-UHFFFAOYSA-N 428.426 4.379 5 20 IIBD O=[N+]([O-])c1ccc2oc(=S)n(CN3CCC[C@@H](n4ccc(C(F)(F)F)n4)C3)c2c1 782293649 CRWWOSTVXSJYSS-GFCCVEGCSA-N 427.408 4.382 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 784183284 AWFIATXWECSQOO-HLAWJBBLSA-N 436.512 4.264 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc1[N+](=O)[O-] 784687409 OIUUZIDOSSOCPP-UHFFFAOYSA-N 434.290 4.044 5 20 IIBD CC[C@@]1(C)Oc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Br)cc2O1 785488691 PLLZNVICQXHOJN-INIZCTEOSA-N 443.275 4.056 5 20 IIBD O=C(Cc1csc(Cc2cccc(Cl)c2)n1)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 792252788 BHYNRAABSDXARZ-UHFFFAOYSA-N 447.856 4.490 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c(F)c1 792474175 IFRBHWRILVMQAZ-LLVKDONJSA-N 439.237 4.297 5 20 IIBD O=C(OCc1ccccc1)[C@@H]1CCCCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 792603158 WCUQELYHDAPSAC-DEOSSOPVSA-N 440.499 4.419 5 20 IIBD O=C(COc1cc(Cl)c(Cl)cc1[N+](=O)[O-])NCC1(c2ccccc2)CCOCC1 794496986 IQVVYFDLRFVHRN-UHFFFAOYSA-N 439.295 4.145 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]2[C@@H](NC(=O)OC(C)(C)C)CCC[C@H]2C1 799235343 WSRMCFLFLYGWPL-UAGQMJEPSA-N 448.520 4.151 5 20 IIBD CC(C)(C)OC(=O)Nc1ncc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)s1 800512180 GHQMTMIHJDMQAN-UHFFFAOYSA-N 434.518 4.442 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 801032300 ZDHBSIGHPWJPAJ-NRFANRHFSA-N 437.562 4.474 5 20 IIBD CC(=O)Nc1cccc(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 811373766 NEOZLLGPFNBBBI-SECBINFHSA-N 440.239 4.044 5 20 IIBD CCOc1ccc(C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)cc1OC 864244708 KCWPTTCIDIEKGS-UHFFFAOYSA-N 440.456 4.103 5 20 IIBD CC(C)[C@@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@H]1CCOc2ccccc21 877031409 QVIFBDDELHSLNL-QFBILLFUSA-N 432.860 4.070 5 20 IIBD COc1ccccc1NC(=O)[C@@H](OC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(C)C 877872977 YSOZEPDMUZALMT-KUHUBIRLSA-N 432.498 4.291 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-n2nccn2)cc1C(F)(F)F 915106602 JDDLITPBPXDYSQ-NSHDSACASA-N 437.403 4.314 5 20 IIBD CC(C)[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N)C(=O)Nc1ccccc1C(F)(F)F 915383464 YUULLVYEXMGNQZ-MRXNPFEDSA-N 425.363 4.016 5 20 IIBD C[C@@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1cc2c(cc1Br)OCCO2 917788338 YUWOYNXMACNHPF-DJFZKKHWSA-N 433.258 4.019 5 20 IIBD CC(C)(C)c1ccc(C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1[N+](=O)[O-] 919002090 UPULYWTZMIUPEA-UHFFFAOYSA-N 426.385 4.208 5 20 IIBD C[C@@H](OC(=O)[C@H]1CCN(c2ccccc2Br)C1=O)c1cccc([N+](=O)[O-])c1 919421452 AEIRTPKYVBJFBV-DOMZBBRYSA-N 433.258 4.015 5 20 IIBD COc1ccc(S[C@H](C)C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 919513687 WQQJLFLHHJGUSD-NWDGAFQWSA-N 438.889 4.308 5 20 IIBD Cc1c(C(=O)NC2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1117767397 MBKBHIBPWVAHGJ-YQQQUEKLSA-N 438.484 4.127 5 20 IIBD O=C(Nc1ccnc(Cc2ccccc2)n1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1320013209 FUIOHHHCIPIAOW-UHFFFAOYSA-N 433.468 4.051 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CC[C@H]4OCCC[C@@H]4C3)n2CCc2ccccc2)c1 1321310890 WSXJHLAYLAYBSP-IFMALSPDSA-N 433.512 4.101 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@H]1CCCc2c1cnn2Cc1ccccc1 1321452781 OMIFKNKURQROOY-LJQANCHMSA-N 442.878 4.368 5 20 IIBD COc1ccccc1SCc1nnc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)o1 1324229058 OHCRKRYVPXYQAA-GFCCVEGCSA-N 446.510 4.318 5 20 IIBD Nc1c(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc(Br)cc1[N+](=O)[O-] 1340051266 MOIBHGOPNHIATO-UHFFFAOYSA-N 426.177 4.006 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)NC1(c2ccc(NC(=O)c3ccn(C)c3)cc2)CCC1 1787238164 HLWRRDSYIGABTD-UHFFFAOYSA-N 448.479 4.009 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])c(C(=O)NC2(c3ccc(NC(=O)c4ccco4)cc3)CCC2)c1 1787270700 RHKNIKJMWMYECW-UHFFFAOYSA-N 448.479 4.315 5 20 IIBD C/C=C(/C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])c(OC)c3)cc2)CCC1 1790479171 AIOJAGAMMYHYDI-XRVIQIRUSA-N 437.496 4.246 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)NC1(c2ccc(NC(=O)[C@H]3C[C@@H]3F)cc2)CCC1 1791162233 VWLZIHPCNOOUIE-PMACEKPBSA-N 425.460 4.020 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCC2(CCCN(C(=O)C3(C)CCCC3)C2)CC1 1804989478 GRANHCPYLVDZEK-UHFFFAOYSA-N 445.535 4.467 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc([N+](=O)[O-])c(O)cc2C)CC1 1824350280 XTIXYWXSOLYQCH-JXFKEZNVSA-N 445.560 4.278 5 20 IIBD Cc1cc(CCCC(=O)N2CCCC23CN(C(=O)[C@H]2CCC[C@@H]2C)C3)c([N+](=O)[O-])cc1F 1841507013 HPCDMYGOXXACRB-LPHOPBHVSA-N 445.535 4.005 5 20 IIBD Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N2[C@@H](C)CCC[C@@H]2C)n1 3520621 LSEHTXXQJZKMDT-KBPBESRZSA-N 449.554 4.457 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Sc2nncn2-c2ccc(C)c(Cl)c2)c([N+](=O)[O-])c1 17105722 KTSFZJDEJVNLHM-GFCCVEGCSA-N 447.904 4.265 5 20 IIBD C[C@@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 17768146 QHEWVPLOPGRROV-LLVKDONJSA-N 444.904 4.356 5 20 IIBD CC1=C(C(=O)N(C)C)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1c1ccc(F)c(Cl)c1 21267236 ROKOPGHBWJSYLX-GOSISDBHSA-N 448.907 4.185 5 20 IIBD Cc1nc(-c2cccs2)c(CC(=O)OCC(=O)Nc2c(C)cccc2[N+](=O)[O-])s1 21998873 MTUUUGANANSONI-UHFFFAOYSA-N 431.495 4.121 5 20 IIBD COc1ccc(CCNC(=O)[C@@H](C)Sc2nc3ccc([N+](=O)[O-])cc3s2)cc1OC 23214221 VBWIVKRTKQTHPB-GFCCVEGCSA-N 447.538 4.061 5 20 IIBD CCOc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)c([N+](=O)[O-])cc1OC 26782785 RFSHWWDLTUJTTD-UHFFFAOYSA-N 427.379 4.339 5 20 IIBD CCO[C@@H]1CCCN(c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])C1 60082100 MYPPKGUWJGKVDV-QGZVFWFLSA-N 433.530 4.018 5 20 IIBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H](Cc1ccccc1Cl)c1ccccc1 63341263 NJPPRQZHUANSDP-NRFANRHFSA-N 437.883 4.078 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1cc(Cl)c2c(c1)OCCCO2 64421601 JMAFJEYGDUARNY-NSHDSACASA-N 441.267 4.147 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCN(Cc2ccc(Cl)cc2)CC1 65084883 CEPLDUGBXKEPAG-UHFFFAOYSA-N 442.928 4.330 5 20 IIBD O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 78610398 KMVBVVBBWLEWFA-INIZCTEOSA-N 439.230 4.131 5 20 IIBD O=C(CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)Nc1ccc(F)c(F)c1 107764183 MCXCKVDNYMLPPL-UHFFFAOYSA-N 427.363 4.034 5 20 IIBD Cc1ccc(CNCC(C)(C)S(=O)(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 237732157 OTKGHOYURPYYOS-UHFFFAOYSA-N 441.347 4.008 5 20 IIBD O=C(Nc1ccc(Br)cn1)C1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 301124685 USTQBKMKDSYEJK-UHFFFAOYSA-N 439.697 4.261 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C3)cs1 301963086 UGGXJEYBIGPMEX-UHFFFAOYSA-N 435.552 4.054 5 20 IIBD COc1ccc(-c2nc(C)c(C(=O)NCc3cc([N+](=O)[O-])ccc3OC)s2)c(F)c1 409943853 VIXGRSDJLRHDMH-UHFFFAOYSA-N 431.445 4.113 5 20 IIBD CCCCCOc1cc(C)ccc1CNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 426048701 VBABDHNNQPXOAW-UHFFFAOYSA-N 429.521 4.215 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@H](c2ccccc2)C(F)(F)F)c2ncccc12 432307447 QNYMBNUPARHOKB-OAHLLOKOSA-N 439.415 4.158 5 20 IIBD CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 432338723 XVYAVDXIZWCPNQ-LRTDBIEQSA-N 429.860 4.068 5 20 IIBD COC(=O)c1cc(NC(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)F)(C4)C3)cc([N+](=O)[O-])c1 434113929 KTDKCTMDPDHKFY-ORMMXULVSA-N 426.391 4.469 5 20 IIBD C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1I 434250176 PCZAXCHVHJOJSJ-DOMZBBRYSA-N 436.249 4.218 5 20 IIBD Cc1noc(C2CN(C(=O)c3ccc([N+](=O)[O-])c(Sc4ccc(Cl)cc4)c3)C2)n1 434376691 GZMUXDQIACPLLP-UHFFFAOYSA-N 430.873 4.330 5 20 IIBD Cc1cc(N2CCC(NC(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])CC2)n[nH]1 442758925 QBLXJWVDUXHZGJ-UHFFFAOYSA-N 437.525 4.176 5 20 IIBD Cc1ccc(-n2nc(NC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)cc2C)cc1 444296518 YOPYODDMIDIPBI-UHFFFAOYSA-N 444.441 5.014 5 20 IIBD O=C(Cc1csc(-c2ccc(Cl)s2)n1)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444636234 MVFQMJMYWXPLSI-UHFFFAOYSA-N 433.902 4.168 5 20 IIBD COc1ccc(NC(=O)Cc2noc(-c3cc4cc([N+](=O)[O-])ccc4s3)n2)cc1OC 445368998 RPYHHGVPJGLSLB-UHFFFAOYSA-N 440.437 4.058 5 20 IIBD O=C(c1ccccc1)C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 445534689 ZVBSFLQQTVRFCK-UHFFFAOYSA-N 431.286 4.021 5 20 IIBD O=C(NCc1cccc(Cn2cnc3ccccc32)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 446783979 GYZGGOOAPGJHKW-UHFFFAOYSA-N 441.491 4.261 5 20 IIBD COc1cc(CNCC2CCN(C3CC3)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 446887243 PTQVEUMQNPDKBY-UHFFFAOYSA-N 425.529 4.146 5 20 IIBD COCc1cccc2sc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)nc12 446944027 NCGGBZBLTBMYRB-UHFFFAOYSA-N 447.416 4.171 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N(CCc2cccc(F)c2)C2CC2)c(C(F)(F)F)c1 447018651 VTEYPYKPMNFKEX-UHFFFAOYSA-N 432.395 4.149 5 20 IIBD Cc1ccccc1[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)[C@H](C)CO1 447038370 FANCKCDPRLEESI-DYVFJYSZSA-N 444.431 4.073 5 20 IIBD CC1(C)CN(C(=O)c2ccc(C(=O)N3CC(C)(C)[C@@H]3C3CC3)c([N+](=O)[O-])c2)[C@H]1C1CC1 460981683 PTGKMJUGQIQRBL-PMACEKPBSA-N 425.529 4.116 5 20 IIBD O=C(NC[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1)c1ccccc1 462499470 FBROOFZUJIOROT-FQEVSTJZSA-N 446.507 4.215 5 20 IIBD COc1cc(OCC(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)ccc1[N+](=O)[O-] 464172648 ZSBNTWQJLDVFBY-UHFFFAOYSA-N 429.816 4.462 5 20 IIBD Cc1cccc([C@H]2CCCCN2C(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)c1C 464587820 MHMGJIABYSNRKG-HXUWFJFHSA-N 446.507 4.433 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@@]2(C)CCO[C@H]2C2CC2)cc1 466844630 WTHWAATVJAZPBD-JTHBVZDNSA-N 426.469 4.331 5 20 IIBD Cn1ccnc1[C@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 467220630 WWNGRLSJKXEOFU-QGZVFWFLSA-N 434.283 4.224 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCCc3c([nH]c4c(F)cccc34)C2)cc1OC 467788496 QCJOOEQGVDZHTR-UHFFFAOYSA-N 427.432 4.211 5 20 IIBD CC[C@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCO1 467806704 KCSDOAHEAMMXHF-HNNXBMFYSA-N 431.876 4.142 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1)N(Cc1cccc(Br)c1)C1CCOCC1 468159766 LUYNHKKCGQKYQL-UHFFFAOYSA-N 433.302 4.108 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)NC1(c2ccc(Br)cc2)CCOCC1 470148265 ULBLBRVMLALJOM-UHFFFAOYSA-N 438.253 4.324 5 20 IIBD O=C(CN1CCSC[C@H]1c1cccc(C(F)(F)F)c1)Nc1ccccc1[N+](=O)[O-] 473200149 IYMLKAFMZABOLG-KRWDZBQOSA-N 425.432 4.342 5 20 IIBD CCOc1cc(Br)c(NC(=O)c2cccc([N+](=O)[O-])c2OC)cc1OCC 475113604 DWTIMMWXIWUBAG-UHFFFAOYSA-N 439.262 4.416 5 20 IIBD O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 475884266 PVHAFKVEXUIKSO-INIZCTEOSA-N 443.656 4.364 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 478199361 HWYNCNUDCBWZCT-DZGCQCFKSA-N 446.328 4.423 5 20 IIBD O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 478780994 HZRRSNRUEVADSJ-UHFFFAOYSA-N 445.819 4.412 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)c1[N+](=O)[O-] 481076911 UKXCAQHHACQRJN-UHFFFAOYSA-N 443.500 4.179 5 20 IIBD CCN([C@@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C 481441626 HIWBSEUSPMFSSN-QFIPXVFZSA-N 425.510 4.407 5 20 IIBD COC(=O)c1csc(-c2cccc(CNC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)c2)n1 481641199 LWXVUGWXZRSKEZ-LBPRGKRZSA-N 443.456 4.064 5 20 IIBD COc1ccc(C2(CNC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)CCOCC2)cc1 485219684 AUAYTPAZKOKEAT-UHFFFAOYSA-N 439.512 4.026 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1ccc(-c2nccs2)cc1 485312448 BXQLTPDQCVHDQN-UHFFFAOYSA-N 440.300 4.282 5 20 IIBD O=C(NCCn1cc([N+](=O)[O-])cn1)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 489914644 QIRAKANZQKTVPT-UHFFFAOYSA-N 434.283 4.187 5 20 IIBD CCOc1cc(CN[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)ccc1[N+](=O)[O-] 492566333 YSKMTXBNCOMVBV-HSZRJFAPSA-N 440.521 4.276 5 20 IIBD COCCN(Cc1ccc(Br)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1OC 494578331 HGNCMRIGEUYDDS-UHFFFAOYSA-N 444.307 4.108 5 20 IIBD CCOC(=O)C(C)(C)c1csc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 497638334 KRYJVCXSTGXXIL-UHFFFAOYSA-N 434.518 4.335 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccc(OCC2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 498987300 LORBONRABSFQJO-INIZCTEOSA-N 425.485 4.370 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(F)cc2-n2cccc2)cc1[N+](=O)[O-] 499127070 OHWFBZBQOLDNAD-UHFFFAOYSA-N 438.444 4.057 5 20 IIBD O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1 505814139 VZTYZTKUOYBIPW-LRDDRELGSA-N 438.324 4.247 5 20 IIBD COCc1nc(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c(-c2ccccc2)s1 508348355 QAXRVIRAICXUAJ-UHFFFAOYSA-N 436.493 4.205 5 20 IIBD CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 509432271 LYQQKTSNWHERSF-FOIQADDNSA-N 431.514 4.094 5 20 IIBD O=C(Cc1cc2c(ccc3ccccc32)o1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 509995344 PWOZUQNSPDRWPI-UHFFFAOYSA-N 449.488 4.083 5 20 IIBD CC(C)(CNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C(=O)O 510106630 QIBCKKWOHOFLQY-RVDMUPIBSA-N 439.493 4.362 5 20 IIBD Cc1ccc(-c2nc(NC(=O)Cn3cnc([N+](=O)[O-])n3)sc2-c2ccc(C)cc2)cc1 511318054 BNFVVDWTTNVTES-UHFFFAOYSA-N 434.481 4.232 5 20 IIBD CCc1c(-c2ccncc2)n[nH]c1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 511519275 FNAQSJQGKQEOMT-UHFFFAOYSA-N 430.262 4.266 5 20 IIBD CCOc1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)c([N+](=O)[O-])cc1OC 511784633 HNSWSUDRKNXUPH-JOCHJYFZSA-N 441.528 4.033 5 20 IIBD COc1ccc([C@H](NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])c2ccc(F)cc2)cc1 512753864 MTNMTFZGXOJULC-JOCHJYFZSA-N 440.427 4.279 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 514066066 JUVYAXSVPQZIPJ-QPTUXGOLSA-N 430.508 4.495 5 20 IIBD COc1cc(CN2CCC(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F 514092878 GUEQGHRNUFRRPG-UHFFFAOYSA-N 448.438 4.098 5 20 IIBD CC(=O)N(c1ccc(C)cc1)c1nc(CN(CCN)c2ccccc2[N+](=O)[O-])cs1 515021128 VYVFSTWNVPVLNV-UHFFFAOYSA-N 425.514 4.010 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 515338532 GKVLUJNAUZQHSY-SFHVURJKSA-N 438.465 4.088 5 20 IIBD CC(C)(C)[C@@H](NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)c1ccc(F)cc1 515908809 OKOIZQQPKSBIAC-SFHVURJKSA-N 448.520 4.050 5 20 IIBD COCc1nc(CN[C@H](c2ccc([N+](=O)[O-])cc2)c2nccn2C)c(-c2ccccc2)s1 516779119 GVYHNNRXPJQMKI-OAQYLSRUSA-N 449.536 4.477 5 20 IIBD O=[N+]([O-])c1cc(CNC[C@H](O)COc2ccc(F)c(F)c2)ccc1Oc1ccc(F)cc1 518275461 HMGVYFOPBSDCRN-INIZCTEOSA-N 448.397 4.334 5 20 IIBD O=[N+]([O-])c1ccc(OCCSc2nnc(-c3cccnc3)n2Cc2ccccc2)cc1 521382544 KDGKMXGDSALBCZ-UHFFFAOYSA-N 433.493 4.468 5 20 IIBD Cc1ccc(C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccn2)cc1 522371976 KTAYJFHDGKNAFB-IBGZPJMESA-N 431.901 4.214 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccc(C(=O)N2CCCCC2)c1 522641459 JLCRJELWNYBZGD-UHFFFAOYSA-N 431.876 4.282 5 20 IIBD CCOC(=O)c1csc(N(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C2CC2)n1 524665178 OHOFVKFJPYKNKA-UHFFFAOYSA-N 444.494 4.161 5 20 IIBD Cc1c(I)cccc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 532368286 NBFKVIHPWYFHEH-UHFFFAOYSA-N 448.163 4.362 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(C)n1[C@H]1CCC[C@H](C)C1 533887734 FZIQMNHZWMGOEB-YDHLFZDLSA-N 433.534 4.374 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]1Cn1cnc2ccccc21 534461054 ZJGWXBSVUCGHFG-INIZCTEOSA-N 428.876 4.058 5 20 IIBD COc1ccccc1[C@@H](C)NC(=O)CSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 535506563 DOZVHORCLLIBKA-CQSZACIVSA-N 427.482 4.369 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 537097065 YRJUIRRVPPURSG-UHFFFAOYSA-N 449.554 4.132 5 20 IIBD CC(C)(C)[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1nc(-c2nc[nH]n2)no1 537326296 UOEHRCWPJRJWAR-MRXNPFEDSA-N 439.501 4.368 5 20 IIBD CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 540002566 SMZDGTFTMPIEFS-OYHNWAKOSA-N 440.475 4.102 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(-c3n[nH]c(C)n3)c(Cl)c2)cc1[N+](=O)[O-] 540511992 BNQFSWPSMDEBNL-UHFFFAOYSA-N 447.904 4.222 5 20 IIBD CCc1nn(C)cc1Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] 541912421 GTZIATCNMXISRA-UHFFFAOYSA-N 429.502 4.052 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 542064040 QQGCSNHSQRRSAS-LJQANCHMSA-N 446.385 4.013 5 20 IIBD CCc1noc(-c2ccc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)c(Cl)c2)n1 543410306 UVJYWRDXHJGJLU-UHFFFAOYSA-N 438.831 4.299 5 20 IIBD CC[C@@H](C(=O)N1CCC(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1)c1ccccc1 543550339 BNGIDWALTZXLFR-OXQOHEQNSA-N 441.503 4.138 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N(CCCO)Cc1cccc(Cl)c1 544673711 KTJOWEKJMQTQTN-UHFFFAOYSA-N 434.923 4.219 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc(Cc2csc(NC(=O)c3ccoc3C)n2)n1 546396657 SBGSDMMEGNVEKQ-UHFFFAOYSA-N 425.426 4.154 5 20 IIBD COc1cc(Cc2noc(Cc3cccc(OCc4cccnc4)c3)n2)ccc1[N+](=O)[O-] 547178106 FTDHSOBSTOBDSY-UHFFFAOYSA-N 432.436 4.142 5 20 IIBD CCc1nc(C)c(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)o1 552649142 DKJZEVRMTTUPEB-UHFFFAOYSA-N 440.422 4.005 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC[C@@H]3c3nc(C)no3)cc2[N+](=O)[O-])n1 553419925 RTWQRXUGDIEOPQ-CYBMUJFWSA-N 431.499 4.180 5 20 IIBD CCc1[nH]nc(C(=O)N(C)CCCCCc2cc(-c3cccc(F)c3)no2)c1[N+](=O)[O-] 554074546 UOCXAWNGBBEBHU-UHFFFAOYSA-N 429.452 4.159 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)c1 554964761 AAXDURUEWAEGBS-UHFFFAOYSA-N 431.448 4.449 5 20 IIBD COc1cc(OC)cc(Oc2ccc(CNC(=O)c3cccc(OC)c3[N+](=O)[O-])cc2)c1 556473034 ALDRXUBIGPCEQI-UHFFFAOYSA-N 438.436 4.343 5 20 IIBD COc1ccc([C@@H](C)NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1Br 557757902 LQCSDRAGGYXIQX-CYBMUJFWSA-N 436.306 4.311 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCCO1 559209484 LKVCBDXANXZTPR-FQEVSTJZSA-N 439.491 4.122 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cccc(OCc2cn3ccccc3n2)c1 560993891 UHEPUTOCLAFRSI-UHFFFAOYSA-N 430.464 4.136 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C)cc2C)c1 576657235 CGPIUWUWLHXYJZ-SFHVURJKSA-N 431.539 4.087 5 20 IIBD CNC(=O)Nc1cc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)ccc1F 578429211 ZEWITSGCAUTKSB-UHFFFAOYSA-N 437.431 4.350 5 20 IIBD CC(=O)Nc1ccc(NCc2cc(I)cc([N+](=O)[O-])c2)c(Cl)c1 580131222 DWSPDYPMAAFLRX-UHFFFAOYSA-N 445.644 4.423 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCCCN(C)C)cc1 585698909 AVCVCZKLSUYOGT-UHFFFAOYSA-N 436.306 4.249 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2csc(-c3ccccc3)n2)ccc1[N+](=O)[O-] 588080155 GXZFXLZFHPXENR-GOSISDBHSA-N 436.493 4.270 5 20 IIBD Cn1cc([C@H]2C[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3SC3CCCC3)CCO2)cn1 590402195 BVXNYKHORQDOEQ-DNVCBOLYSA-N 430.530 4.013 5 20 IIBD C[C@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccc(OCc2cccnc2)cc1 603748431 QNURFHZQIIGQKG-KRWDZBQOSA-N 435.484 4.041 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1N1CCc2ccccc21 603975315 UOZPAWUZMFZQGT-UHFFFAOYSA-N 425.466 4.098 5 20 IIBD COc1ccc(C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC)c2ccccc2)cc1OC 608948868 KKXQVEADNMQXQZ-FQEVSTJZSA-N 436.464 4.334 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)NC(C)(C)CCc2ccccc2)cc1[N+](=O)[O-] 608953000 RBYOOZCAXSMAQX-UHFFFAOYSA-N 425.514 4.016 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2c2ccccc2OC)cc1OC 609263582 YOENLTSZOJJXOE-GOSISDBHSA-N 444.484 4.005 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)c1 609507410 IMNRLHQAWMQFAT-UHFFFAOYSA-N 435.259 4.137 5 20 IIBD Cc1ccc(-n2cnnc2SCC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1C 610046764 GKSNIGLEADLXIZ-UHFFFAOYSA-N 439.541 4.024 5 20 IIBD C[C@H](CNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)C[C@@H](C)O 610146245 QKQVQMUHSOKYLX-QWHCGFSZSA-N 439.871 4.386 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1 612611592 XQDHQMCARDVTSV-UHFFFAOYSA-N 439.447 4.175 5 20 IIBD Cc1c(CNC(=O)N(C)CCCc2cc(-c3ccc(F)cc3)no2)cccc1[N+](=O)[O-] 616310438 VMUMEVCSKJKZBZ-UHFFFAOYSA-N 426.448 4.472 5 20 IIBD COCCOCc1cccc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 618749334 IXFCQHGYVXWYKG-UHFFFAOYSA-N 427.379 4.098 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1cc(-c2cccs2)nn1-c1ccccc1 727249277 RMGBJVMOEHZIOH-UHFFFAOYSA-N 444.469 4.449 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)c1ccc2c(c1)CC(=O)N2C 728254400 QTCHWWYYCNUQEP-INIZCTEOSA-N 444.491 4.217 5 20 IIBD C[C@@H](OC(=O)[C@H]1CCOc2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 728356474 JHNIKXLSDMXUCM-RISCZKNCSA-N 438.358 4.050 5 20 IIBD Nc1cc(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1Oc1ccccc1 728634702 AWGURPAGLHPVJO-UHFFFAOYSA-N 432.392 4.376 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)N[C@H](C)c2ccccc2C)cc1SC 728655588 CZNKXAFQROCPBX-ZIAGYGMSSA-N 432.498 4.056 5 20 IIBD O=C(C[C@H]1C=CCC1)Nc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] 730435515 HBJNBGNQQIYCTC-ZDUSSCGKSA-N 435.889 4.344 5 20 IIBD C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1cc2ccccc2s1 730508470 ZQDAZOSGMSFRJV-GXTWGEPZSA-N 427.457 4.179 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)O[C@H](C)c1ccc(Cl)c(Cl)c1 730627563 FLSATXULFRQTNO-SNVBAGLBSA-N 428.224 4.406 5 20 IIBD C[C@@H](CSc1ccccc1)C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 732504789 DLJKRRGLGZSFPJ-DLBZAZTESA-N 428.510 4.171 5 20 IIBD CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)OCc1cc([N+](=O)[O-])ccc1Cl 734779117 ATGZKBKZWAZOFD-XOBRGWDASA-N 430.888 4.291 5 20 IIBD Cc1cc(F)ccc1-c1ccc(C(=O)NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1F 735396201 OLWSQTUCAWTCGP-UHFFFAOYSA-N 446.431 4.108 5 20 IIBD O=[N+]([O-])c1cccc(/C(O)=C(/C(=S)NC2CCCCC2)[n+]2cccc(O)c2Cl)c1 735665303 ALOILGUICJLYRA-UHFFFAOYSA-O 434.925 4.375 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 739735021 SIPRSEPDPOQYMK-SFHVURJKSA-N 437.265 4.082 5 20 IIBD C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1)C[C@@H](C)O 740842635 KZQUNJMZVUPCBL-RBUKOAKNSA-N 439.556 4.191 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)c2ccccc2)c([N+](=O)[O-])c1 741022556 RVIBCZOJCRIWCC-VDNWNZSNSA-N 439.512 4.388 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2cccc(NC(=O)OCC(C)C)c2)cc1[N+](=O)[O-] 742028343 HAYYSXOZWPKRQV-UHFFFAOYSA-N 425.438 4.048 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(Cn3nc(-c4ccccc4F)oc3=S)CC2)cc1 743390847 NNWBKGIEYULRFC-UHFFFAOYSA-N 430.461 4.421 5 20 IIBD O=C(OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 745351449 QVKFGVYVTSPTRS-IAGOWNOFSA-N 435.263 4.138 5 20 IIBD CN(Cc1cc2ccccc2o1)C(=O)c1ccc(I)c([N+](=O)[O-])c1 746560653 OBCZMEJQJMRPHG-UHFFFAOYSA-N 436.205 4.218 5 20 IIBD C[C@@H](OC(=O)c1cccc2cnccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 748477812 JZXVCEAEKDNYMU-LLVKDONJSA-N 433.342 4.346 5 20 IIBD Cc1cc(C)n(-c2ccc(NC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)cc2F)n1 748623734 NPLJZWVGYZXEIK-UHFFFAOYSA-N 427.392 4.314 5 20 IIBD COc1cc(Cl)c(Cl)cc1C(=O)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 750696266 XOXWRYMGKSCZOI-UHFFFAOYSA-N 447.658 4.150 5 20 IIBD CC(C)(C)OC(=O)NCCc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 751227594 FBKWSPHDOXWONX-UHFFFAOYSA-N 433.892 4.245 5 20 IIBD Cc1nc(COc2ccccc2C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)cs1 751641877 PAVKIBVJCCURKT-UHFFFAOYSA-N 425.422 4.437 5 20 IIBD CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)OC(=O)c1c(F)ccc([N+](=O)[O-])c1F 752564687 ZUPFJQGYFXEDPQ-JTQLQIEISA-N 432.335 4.006 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(=O)n(CCOc2ccccc2Cl)c1 752813938 GUXNSFOKHVSGOM-UHFFFAOYSA-N 448.262 4.395 5 20 IIBD COc1cc(OC)c(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1Cl 754629312 JCFLLDGCMHGXFO-UHFFFAOYSA-N 433.617 4.419 5 20 IIBD Cc1cc(F)cc(C(=O)N[C@H](C)c2cc3c(cc2Br)OCCO3)c1[N+](=O)[O-] 758428675 FSWKLBNZPMKXMD-SNVBAGLBSA-N 439.237 4.067 5 20 IIBD CCOC(=O)CN(C(=O)c1cccc([N+](=O)[O-])c1Br)[C@@H](C)c1ccccc1 758861503 GRHCEGSOFXJXQA-ZDUSSCGKSA-N 435.274 4.124 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ccc(OCC(F)F)nc2)cc1)c1cccc([N+](=O)[O-])c1 761225661 QGZBKKVWVJWXPL-UHFFFAOYSA-N 443.362 4.105 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(SC)c(Cl)cc1Cl 761304067 LTDLFGQZIYBPNV-UHFFFAOYSA-N 445.280 4.428 5 20 IIBD C[C@@H](C(=O)N1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 761997934 BVFRMSOMILSGIA-MRXNPFEDSA-N 431.533 4.336 5 20 IIBD CSc1cc(C(=O)COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)ccc1NC(C)=O 762987706 GAHGAFWHLUKVHA-UHFFFAOYSA-N 448.472 4.118 5 20 IIBD CNC(=O)c1cc(Oc2cccc(OC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)c2C)ccn1 763054332 OGJBFBGVFOKETD-CQSZACIVSA-N 435.436 4.159 5 20 IIBD CCS[C@H](C)c1noc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)n1 766793738 ZLULUFWKUFKIHL-CQSZACIVSA-N 433.534 4.054 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H](C)Oc3ccc(Br)cc32)cc1[N+](=O)[O-] 767331360 ZNBSOKDGHITNPC-SECBINFHSA-N 436.218 4.002 5 20 IIBD Cn1cc(CNc2ccc(OCCN3CCCCC3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 767925349 CKHPXEBWJYHNSW-UHFFFAOYSA-N 435.528 4.472 5 20 IIBD COC(=O)[C@@]1(F)CCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C1 768217746 PICSRMRWKOCGGR-LJQANCHMSA-N 438.864 4.127 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 768322002 KVVWLZKREFLIGV-LBPRGKRZSA-N 441.793 4.222 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)[C@@H](O)c1ccccc1 768638899 DLSZJBWZVBVZNE-PMACEKPBSA-N 440.839 4.205 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 770021192 URVPXCDGKVMURF-KRWDZBQOSA-N 432.864 4.200 5 20 IIBD C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CCN1C(=O)OC(C)(C)C 773771994 HVHPZFAABXFTTA-IRXDYDNUSA-N 446.548 4.103 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cccc(OCc3cn4ccccc4n3)c1)CC2 773992517 GMYIMHFOBABUID-UHFFFAOYSA-N 428.448 4.333 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 775061519 MDPZGFJUYPZROU-HXUWFJFHSA-N 433.867 4.201 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 777923085 NHAUJVOEPRFJBD-UHFFFAOYSA-N 447.419 4.235 5 20 IIBD C[C@H](Nc1ccc(C(=O)Oc2ccc3c(c2)NC(=O)CC3)cc1[N+](=O)[O-])c1ccccn1 781141348 NXOIYZFNPSMGFB-AWEZNQCLSA-N 432.436 4.267 5 20 IIBD CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc([N+](=O)[O-])s2)NC(=O)N1CC1CC1 782248224 OISKGCZRKKQIJU-SFHVURJKSA-N 430.461 4.184 5 20 IIBD CC(C)(C)OC(=O)NCCOc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 784131735 IWMAHGRUSVBEFM-UHFFFAOYSA-N 435.864 4.404 5 20 IIBD Cc1nn(C(C)(C)C)cc1C(=O)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 785357374 DWNVSXUFCNSKED-SFHVURJKSA-N 442.516 4.097 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC(Oc2ccc(F)nc2)CC1 790790378 IINGYTGLBHZXQP-UHFFFAOYSA-N 447.264 4.487 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1 791610256 YUKHHFBFRDDWLJ-LJQANCHMSA-N 444.513 4.154 5 20 IIBD CCOC(=O)/C(=C/c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccc([N+](=O)[O-])cn1 794950435 VWQFYZKLHZYRFI-LFIBNONCSA-N 432.358 4.298 5 20 IIBD CCOC(=O)/C(=C\c1cc(Br)c2c(c1)OCCCO2)c1ccc([N+](=O)[O-])cn1 794951232 XVUCGSIOYCAJBM-ZSOIEALJSA-N 449.257 4.017 5 20 IIBD C[C@H](OC(=O)CCCC1CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 798736876 PHIFVWYBJBPVBL-LBPRGKRZSA-N 432.395 4.081 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNCCS(=O)(=O)CCc3ccccc3)o2)c(Cl)c1 800312194 VCYXLCFLSLMRRU-UHFFFAOYSA-N 448.928 4.255 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 800624123 JPDUJTVMOSEPFF-ZDUSSCGKSA-N 439.365 4.016 5 20 IIBD CC[C@@H](OC(=O)c1cc(I)cc([N+](=O)[O-])c1)c1ccc(F)cn1 803045513 HNAUVUOUFXPHAE-CQSZACIVSA-N 430.173 4.042 5 20 IIBD CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 809236020 VJVDATLQWROWJF-SFHVURJKSA-N 437.456 4.110 5 20 IIBD C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](c2nc(CCNc3ccccc3[N+](=O)[O-])no2)C1 809387859 FVPUDEMTFYZQEQ-YOEHRIQHSA-N 431.493 4.341 5 20 IIBD CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c2ccccc21 810407791 YDTQAHALPDBAJI-CQSZACIVSA-N 432.274 4.082 5 20 IIBD C[C@H](C(=O)O[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc(Br)c1 812613260 ZUXJIKAEPABOHE-WDEREUQCSA-N 439.237 4.170 5 20 IIBD COc1ccc(-c2cncc(C(=O)O[C@H]3CCN(Cc4cccc([N+](=O)[O-])c4)C3)c2)cc1 813172332 FRMODNSYCRPALQ-QHCPKHFHSA-N 433.464 4.097 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ccc(N2CCCOC2=O)cc1 817312472 FCBXGKOWGCVFEO-AEFFLSMTSA-N 425.485 4.388 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 818856118 SSKMDZVIRAGCGQ-UHFFFAOYSA-N 448.435 4.017 5 20 IIBD C[C@H](OC(=O)c1cc(Cl)ccc1Br)C(=O)Nc1ccccc1[N+](=O)[O-] 913344463 UVLKROOSZYQLLY-VIFPVBQESA-N 427.638 4.195 5 20 IIBD CCc1c(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cnn1-c1ccc(Br)cc1 915107834 FQSNCFSUHLMPIJ-UHFFFAOYSA-N 433.237 4.497 5 20 IIBD O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 915201195 QHGZPKCMAZTAHB-UHFFFAOYSA-N 442.686 4.153 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H](C)N2CCc3sccc3C2)CC1 917099906 DPEZRNFQXFXBSF-QGZVFWFLSA-N 442.585 4.069 5 20 IIBD O=[N+]([O-])c1cccc(N2CCN(Cn3nc(Nc4ccccc4F)sc3=S)CC2)c1 917456145 FRMYXOPLVOHXAQ-UHFFFAOYSA-N 446.533 4.245 5 20 IIBD CCOc1ccc(C2(CNc3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])CCOCC2)cc1 919964992 IIXRLXUKZDDRMZ-UHFFFAOYSA-N 439.512 4.046 5 20 IIBD C[C@@H](OC(=O)Cc1csc(NC(=O)Cc2cccs2)n1)c1ccccc1[N+](=O)[O-] 920267020 FQRQTJXBVALWAX-GFCCVEGCSA-N 431.495 4.141 5 20 IIBD COc1ccc(C(=O)Oc2c(Br)cccc2Br)cc1[N+](=O)[O-] 921291420 WFBQIQVPVLUYHN-UHFFFAOYSA-N 431.036 4.348 5 20 IIBD COC(=O)[C@H](OC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1Cl 1116093370 RYQJOFJDCSHOBD-QLJPJBMISA-N 428.224 4.126 5 20 IIBD C[C@@H](C(=O)N1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1cccc([N+](=O)[O-])c1 1116788653 KQDDEUGOXLEQFX-QGZVFWFLSA-N 431.533 4.338 5 20 IIBD Cc1cc(C(=O)OCC(=O)N(CC(F)(F)F)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] 1317737536 CSFNUJYRGZHNHN-UHFFFAOYSA-N 430.766 4.309 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCC(=O)N(CC(F)(F)F)c1ccc(Cl)cc1 1317869274 JXZQJRNIUXGTIF-XCVCLJGOSA-N 442.777 4.400 5 20 IIBD Cc1c(-c2nnc(COc3ccc(C(C)(C)C)cc3)o2)nnn1-c1cccc([N+](=O)[O-])c1 1322166534 YCGAOWOAWACYDM-UHFFFAOYSA-N 434.456 4.410 5 20 IIBD COc1ccc(Cl)cc1N1C[C@H](c2nc(-c3cc(C)c([N+](=O)[O-])cc3C)no2)CC1=O 1323915014 OKBXIXNFOOQBMC-CYBMUJFWSA-N 442.859 4.444 5 20 IIBD COc1ccc(NC(=O)NC[C@H](O)c2cccc(OCc3ccccc3)c2)c([N+](=O)[O-])c1 1520129563 ORVNMTJAXAAWRC-QFIPXVFZSA-N 437.452 4.038 5 20 IIBD COc1cc(C(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@@H]4C4CC4)cc3)CCC2)ccc1[N+](=O)[O-] 1786060064 QGMJIRXATCIKLZ-UXHICEINSA-N 449.507 4.397 5 20 IIBD C[C@@H](C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1)c1ccc(O)cc1 1790187271 PPTRPKFXBTVPGV-OAHLLOKOSA-N 448.479 4.180 5 20 IIBD CC[C@H](C)[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C2)c1ccccc1 1795566417 AMXQXRCEAKMLEF-LJDWRWTJSA-N 439.512 4.270 5 20 IIBD Cc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2ccc(C)c([N+](=O)[O-])c2)cc1 1800139720 BYMBXCKUCHOHDA-NUNAXRQHSA-N 449.551 4.025 5 20 IIBD CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])[nH]n1 1816832615 AJUKLPBDGUBDGQ-DXRVJIQQSA-N 425.489 4.070 5 20 IIBD CC(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n[nH]1 1821609987 QZBUWMUCKIRMTC-MRXNPFEDSA-N 441.513 4.495 5 20 IIBD CC(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 1826300362 NHOGOTSFUHYYMD-LJQANCHMSA-N 435.952 4.066 5 20 IIBD CCC[C@H]1CC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)Cc2cc([N+](=O)[O-])ccc2F)CC1 1848058691 BAYQDNYDZPTRMW-FHQLIMNDSA-N 445.535 4.085 5 20 IIBD Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nnc1-c1ccccc1Cl 9809110 MKDSZPSQYFMJQG-UHFFFAOYSA-N 438.296 4.428 5 20 IIBD CCOc1ccc(NC(=O)CSc2nnc(Nc3ccccc3F)s2)c([N+](=O)[O-])c1 10316560 ZTSOMYYVGOXSOJ-UHFFFAOYSA-N 449.489 4.459 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(Br)c(C(F)(F)F)c1 15125394 RZVHCMGUBDBVHA-UHFFFAOYSA-N 448.195 4.435 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 16196193 UXUAYIOQSLBPRM-VIFPVBQESA-N 439.833 4.062 5 20 IIBD COCc1c(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])oc2ccccc12 22188055 KECIZQRYRZIWSD-SFHVURJKSA-N 440.452 4.300 5 20 IIBD CN(C)c1ccc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cn1 22420337 HIKJGFFNRDLTMY-UHFFFAOYSA-N 442.479 4.090 5 20 IIBD CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)OC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 22547241 MXOFBJLHLBBXBS-LLVKDONJSA-N 430.800 4.381 5 20 IIBD O=C(NCc1ccc(OCC(F)(F)F)cc1)c1ccc(Br)c([N+](=O)[O-])c1 23522977 MTGOIERTGSBTPB-UHFFFAOYSA-N 433.180 4.228 5 20 IIBD Cc1csc(Sc2ccc(C(=O)OCC(=O)N[C@@H]3CCCC[C@@H]3C)cc2[N+](=O)[O-])n1 28808041 XTFIGVYUJAKHRO-SWLSCSKDSA-N 449.554 4.363 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(c2ccc(Br)cn2)CC1 29624861 KUGGUDASGHBWMZ-UHFFFAOYSA-N 431.212 4.098 5 20 IIBD C[C@H](CCc1ccc(O)cc1)NC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 29722844 WFUUMWZLRCZNOX-CYBMUJFWSA-N 440.422 4.052 5 20 IIBD O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 31257448 FIWUMXROIFLYRJ-UHFFFAOYSA-N 430.449 4.409 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 31960138 DECMPIMNLWXWMW-AWEZNQCLSA-N 434.539 4.430 5 20 IIBD COc1ccc([C@H](C)NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1Br 32248961 XJNYSMXBMOIZHL-LBPRGKRZSA-N 445.273 4.043 5 20 IIBD CCOC(=O)c1cc(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)cc([N+](=O)[O-])c1 36332404 CENRUBZGLRRINC-LJQANCHMSA-N 445.541 4.036 5 20 IIBD Cc1nc2ccccc2n1CCCNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 45782132 DHVZHTVDYTVVSN-UHFFFAOYSA-N 449.433 4.280 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1cc(-c2cccc(F)c2)no1)c1ccccc1[N+](=O)[O-] 46811456 UFXAMLVFSXWRET-SFHVURJKSA-N 441.415 4.202 5 20 IIBD O=C(Nc1cc(Br)ccc1I)c1ccccc1[N+](=O)[O-] 49030971 XUDWWQLLANXIHZ-UHFFFAOYSA-N 447.026 4.214 5 20 IIBD CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 65073339 WSTSGMFEOXRMEV-UHFFFAOYSA-N 444.495 4.090 5 20 IIBD Cn1c(C2CCN(C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)CC2)n[nH]c1=S 97552608 MZZNRGVQCQFWCZ-UHFFFAOYSA-N 438.513 4.149 5 20 IIBD COC(=O)c1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2-c2cccs2)c(C)c1 109605933 BULGWDPIIDWGQF-UHFFFAOYSA-N 433.463 4.186 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)S(=O)(=O)c1ccccc1 217501099 ICCLSHKIXUNRNR-IBGZPJMESA-N 430.869 4.402 5 20 IIBD CC(=O)c1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)c([N+](=O)[O-])c1 301166384 VAEAAXTZHATCES-UHFFFAOYSA-N 438.362 4.051 5 20 IIBD O=[N+]([O-])c1cnc(N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn34)C2)c(Cl)c1 301297914 YWGSMAHTRIOTQI-JTQLQIEISA-N 426.786 4.089 5 20 IIBD O=C(NC1CC1)c1ccc(N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c([N+](=O)[O-])c1 301794475 SIYZQWOLJNATEF-LBPRGKRZSA-N 440.447 4.346 5 20 IIBD Cc1cc(N2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 302179134 PSZDIXVLSCRFQZ-QHCPKHFHSA-N 439.516 4.198 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Br)sc1Cl 410406767 VVEPUQVGXIXHEQ-UHFFFAOYSA-N 441.712 4.272 5 20 IIBD CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] 431159169 GJRMRRRDXXRJQD-UHFFFAOYSA-N 443.301 4.452 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)c1ccc(O)c([N+](=O)[O-])c1)C(F)(F)F 436988466 PJCXYRIRSDVYEO-SFHVURJKSA-N 434.374 4.136 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2nc3cc(F)ccc3n2C)cc1[N+](=O)[O-])c1ccccn1 437153367 JGLVNWPDWYRBHP-CYBMUJFWSA-N 434.431 4.441 5 20 IIBD COc1cc([C@H](C)NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc(OC)c1OC 437920114 XXLAWWINSQQUOH-AWEZNQCLSA-N 429.473 4.056 5 20 IIBD CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])cc1Br 440545983 LRWZQIRDYPIKRQ-KRWDZBQOSA-N 446.345 4.342 5 20 IIBD O=C([C@H]1CC(=O)N(c2ccccc2F)C1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 440601460 TWUGIYSFNXBGHU-SFHVURJKSA-N 433.439 4.320 5 20 IIBD O=C(NCc1cccc(COCC(F)(F)F)c1)c1cc(Br)cc([N+](=O)[O-])c1 441890595 IMQUCNNJVCMPIO-UHFFFAOYSA-N 447.207 4.366 5 20 IIBD COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 442549521 YULBGEHKSMFFPT-INIZCTEOSA-N 433.464 4.429 5 20 IIBD CCc1ccc(-c2nc(CC(=O)Nc3ccccc3Br)no2)cc1[N+](=O)[O-] 445478604 HNJYPBJPZCGLTA-UHFFFAOYSA-N 431.246 4.151 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(-c3cc(Br)ccc3Cl)[nH]n2)c1 446368523 GZAFBBJZZYZSGW-UHFFFAOYSA-N 435.665 4.962 5 20 IIBD O=C([C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)N1CCc2ccc([N+](=O)[O-])cc2C1 446432266 VFTQYXKUHUPUMA-LJQANCHMSA-N 448.306 4.091 5 20 IIBD O=[N+]([O-])c1ccc2nc(CNCc3cc(Br)ccc3OC(F)F)[nH]c2c1 446846569 BJPHCIZLMPINFX-UHFFFAOYSA-N 427.205 4.125 5 20 IIBD C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 447092352 YZJYJCMOYJITKJ-JYRVWZFOSA-N 428.432 4.210 5 20 IIBD CC[C@@H](C(=O)OC)N(C(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccccc1 447325849 OUMFEGVNEBEKMY-NSHDSACASA-N 427.276 4.017 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)N1CCn2cncc2C1 460322248 QWGHINQHIKXBRF-UHFFFAOYSA-N 445.838 4.102 5 20 IIBD CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCOC2)C1 461536481 MWXPHEQQAGVHLB-HHXXYDBFSA-N 431.562 4.000 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@@H]3c3cccs3)n2C[C@@H]2CCOC2)c1 461585634 ZTKGPMYDWLCLGV-MAUKXSAKSA-N 425.514 4.293 5 20 IIBD COc1cc(OC)cc(-c2cccc(NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)n2)c1 462841222 OJUPEPINCVFMSV-UHFFFAOYSA-N 445.435 4.112 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1cccc(OCc2ccc(F)cc2)c1 465023597 AHXRTFYCUYYZDR-UHFFFAOYSA-N 438.411 4.265 5 20 IIBD Cc1sc(S(=O)(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)cc1[N+](=O)[O-] 467085653 PECRADYAVZIIPH-UHFFFAOYSA-N 429.523 4.380 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 467854470 VJNSVZKRXLWSMR-MQMHXKEQSA-N 437.279 4.278 5 20 IIBD CC(C)(C)S(=O)(=O)c1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 468084946 DXYZCMKFUHVBRX-UHFFFAOYSA-N 448.544 4.366 5 20 IIBD Cc1cc(=O)n(CC(=O)N(Cc2ccccc2)c2nc3c(C)cccc3s2)cc1[N+](=O)[O-] 474400582 XGWOOOKBHUXLDM-UHFFFAOYSA-N 448.504 4.216 5 20 IIBD Cc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3O)C2)c1 476135727 DWYRDCSUMWNRNL-ZDUSSCGKSA-N 432.864 4.145 5 20 IIBD COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COc2ncc(C)cc2[N+](=O)[O-])cc1 477136129 LHENKRYDXLVFQH-OAQYLSRUSA-N 446.463 4.064 5 20 IIBD O=C(N[C@H](CO)c1c(Cl)cccc1Cl)c1ccc2[nH]c3ccccc3c(=O)c2c1 478444476 GCQRJQDHODPMPV-LJQANCHMSA-N 427.287 4.452 5 20 IIBD C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1ccc(NC(=O)Nc2ccccc2)cc1 480802286 DCOOLSQQEYZMGE-CYBMUJFWSA-N 437.431 4.451 5 20 IIBD CCN([C@@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 481441537 GQAOWDIRLCUJPF-QFIPXVFZSA-N 425.510 4.407 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 481903772 YDVLECUTJWAXEA-ZJSXRUAMSA-N 432.524 4.063 5 20 IIBD Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 483222475 JPMGLXWBWUOYAO-UHFFFAOYSA-N 442.407 4.342 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCCOC1CCN(Cc2ccccc2)CC1 483859246 XNYUAPRMTPSPLE-UHFFFAOYSA-N 426.517 4.096 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@H](C)[C@H](OC)c2ccc(Cl)cc2)c(C)c([N+](=O)[O-])c1 486875537 WAFQMFDTDXBIAD-XIKOKIGWSA-N 435.864 4.241 5 20 IIBD O=C(c1cc2ccccc2n1Cc1ccccc1F)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 487081100 WIPMPHRKUONFEJ-UHFFFAOYSA-N 447.470 4.411 5 20 IIBD O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)c1cc([N+](=O)[O-])ccc1OC(F)F 488490061 CGHJRDYEZMJFAZ-UHFFFAOYSA-N 433.342 4.453 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N(Cc1csc(Br)c1)C1CC1 489072981 OWYHCWRUHLKPHT-UHFFFAOYSA-N 447.314 4.409 5 20 IIBD CCn1c(SCCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 489421037 BGULYZJTGOWGHP-UHFFFAOYSA-N 439.497 4.197 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@H](C)c2cnn(C)c2C)c([N+](=O)[O-])c1 493081665 SCRHELRRUYMADE-OAHLLOKOSA-N 443.529 4.025 5 20 IIBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)[C@H]1C[C@H]1c1cccc(Br)c1 494066284 NUATXIGOBAHECW-KBPBESRZSA-N 433.258 4.261 5 20 IIBD NC(=O)c1cccc(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)cc2)c1 498297384 GFXHWCNVXRUIIZ-UHFFFAOYSA-N 428.404 4.287 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 505297138 ZPPPVCCDBAUTAN-LJQANCHMSA-N 444.451 4.198 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCc2ccc(OC)c(F)c2)c([N+](=O)[O-])c1 506047513 MHKOJVHOZRCZDE-UHFFFAOYSA-N 438.411 4.372 5 20 IIBD Cc1ccc(Oc2ccccc2NC(=O)C(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1 506760050 LOYOTZKPAVDIIJ-UHFFFAOYSA-N 433.464 4.335 5 20 IIBD O=C(NC1(Cc2cccc(F)c2)CCOCC1)c1cc(Br)cc([N+](=O)[O-])c1 508737212 LSMWIFDZCRAXQL-UHFFFAOYSA-N 437.265 4.018 5 20 IIBD C[C@@H]1C[C@H](CCNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CN1Cc1ccccc1 510102965 TWSKNHWPAFXPHR-CTNGQTDRSA-N 436.556 4.226 5 20 IIBD COc1cc(CNCC2(c3ccc(OC)c(OC)c3)CCCCC2)c([N+](=O)[O-])cc1O 512223732 FJUJEXHYAAFPQU-UHFFFAOYSA-N 430.501 4.318 5 20 IIBD COc1cc(C(=O)N2C[C@H](C)N(C)[C@H](C)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 513225402 AIYYYKVNYYNAMC-OKILXGFUSA-N 433.892 4.214 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)Nc2ccc(OCC3CCCCC3)cc2)cc1[N+](=O)[O-] 513568847 VDTQBNIJNLZGPN-UHFFFAOYSA-N 432.498 4.210 5 20 IIBD O=C(Nc1cccc(N2CCCCC2=O)c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 515171378 AVWGZFIJFPUMFE-UHFFFAOYSA-N 437.374 4.305 5 20 IIBD COc1cc(CN2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)c([N+](=O)[O-])cc1OC 516215012 AVLPFUYMXNTLDJ-MRXNPFEDSA-N 429.521 4.157 5 20 IIBD CCC(=O)N1CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 517507521 KHUUAQHIAKSDQA-UHFFFAOYSA-N 431.876 4.125 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@H]1CCCN1CC1CCCCC1 517622612 JLJVTNYQLGVJCO-OAQYLSRUSA-N 431.580 4.316 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CNC1(c2cccc(C(F)(F)F)c2)CCOCC1 518895984 PNUIDOJTHFFSAU-UHFFFAOYSA-N 437.418 4.156 5 20 IIBD CN(Cc1ccc2ccccc2c1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 521766346 SYTHUQXOIXQURH-UHFFFAOYSA-N 435.299 4.331 5 20 IIBD Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 521862522 FSSWAIPGZKADQH-IBGZPJMESA-N 427.526 4.355 5 20 IIBD O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)c1cc2cc([N+](=O)[O-])ccc2o1 522916281 UGYCSAMXRAQNDP-UHFFFAOYSA-N 443.887 4.268 5 20 IIBD COC(=O)c1cc(NC(=O)CCCc2ccc(Br)s2)cc([N+](=O)[O-])c1 522923947 NPJJDLGPEJOXJR-UHFFFAOYSA-N 427.276 4.167 5 20 IIBD COc1cc(C(=O)NCCN2CC[C@H](C)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 524776576 XWZHTNWLXOONFQ-AWEZNQCLSA-N 433.892 4.121 5 20 IIBD COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)C1 525485583 OFCWWZMTKTUDNC-CYBMUJFWSA-N 428.876 4.228 5 20 IIBD C[C@@H](c1nc(Cc2ccccc2)no1)[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534063575 XZZLWCVUVINNRJ-PSKUBERUSA-N 438.465 4.234 5 20 IIBD CN(C(=O)c1ccc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccccc1 538695011 XWYWFFFJLDLJJW-UHFFFAOYSA-N 437.883 4.497 5 20 IIBD Cc1nn(C)c2nc(C3CC3)cc(C(=O)N(C)c3nc(-c4ccccc4[N+](=O)[O-])cs3)c12 540450674 QHHPBGLGKIKNFZ-UHFFFAOYSA-N 448.508 4.462 5 20 IIBD O=[N+]([O-])c1ccc(-n2cc(-c3nc(Cc4cc(Br)ccc4F)no3)cn2)cc1 544955519 WRWANWKCDPSDQT-UHFFFAOYSA-N 444.220 4.323 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(NC(=O)CCN3CCCCC3)cc2)c1 549009003 AXHQILFTWQVQCP-UHFFFAOYSA-N 440.500 4.060 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCc1nc2cc(Cl)ccc2n1C 551312776 ZNCPGOLCRVRWHG-UHFFFAOYSA-N 437.681 4.136 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cccc(NC(=O)c2ccc3nc[nH]c3c2)c1 552712393 XJYNPWWSXPVBGO-UHFFFAOYSA-N 443.463 4.038 5 20 IIBD O=C(Nc1nc2c(Br)cccc2s1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 553407551 PQDBTZIBRFUKCT-UHFFFAOYSA-N 445.254 4.473 5 20 IIBD CCOc1cc(CNCC(C)(F)F)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 555609828 LQQFWLLGCAOVJL-UHFFFAOYSA-N 438.427 4.184 5 20 IIBD COc1ccc(-c2ccc(CNc3cc(C(=O)O)cc(OC)c3OC)o2)c([N+](=O)[O-])c1 556322283 JXQAWGVGYMCFMG-UHFFFAOYSA-N 428.397 4.191 5 20 IIBD CC(C)c1ccc2c(c1)[C@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)CC2 560222445 KOICKJZPAGVPHZ-GOSISDBHSA-N 446.301 4.223 5 20 IIBD C[C@H](Oc1ccccc1NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F 568796730 MRGPJWNTEOPCGX-LBPRGKRZSA-N 425.363 4.220 5 20 IIBD C[C@@H](Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)c1ccc(OCc2ccc(F)cc2)cc1 600848518 UFLRSZBGTGNQCG-CQSZACIVSA-N 445.472 4.133 5 20 IIBD COc1cc(C(=O)Nc2cc(NC(=O)C3CC3)ccc2C)c([N+](=O)[O-])cc1OC(F)F 603757916 PSMOMOTTXNUYRU-UHFFFAOYSA-N 435.383 4.114 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 603999779 OLCFXCRKNJLUAH-UHFFFAOYSA-N 436.251 4.001 5 20 IIBD Cc1c(NC(=O)CCN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] 604276307 IVAYUUIOLMMKNX-RYUDHWBXSA-N 427.345 4.295 5 20 IIBD CN(C)CCn1cc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cn1 604560649 WCBGVBJDKQAFMG-UHFFFAOYSA-N 429.864 4.051 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc2c(Cl)c(Cl)ccc2s1 608928186 YTLKVTBIUAPLJE-UHFFFAOYSA-N 434.282 4.321 5 20 IIBD C[C@H](c1cccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1)N1CCOCC1 609183282 QYOCDSZMYDNZES-OAHLLOKOSA-N 438.509 4.364 5 20 IIBD O=C(NCc1ccc(Oc2cccc(F)c2)nc1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609490502 CJFOLUZAVNQUTQ-UHFFFAOYSA-N 434.383 4.105 5 20 IIBD Cc1ccc(CCC(=O)NCC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 609762826 WTJDFEABIBJYMZ-UHFFFAOYSA-N 433.464 4.383 5 20 IIBD COc1cc(CCc2cc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])n[nH]2)cc(OC)c1 609826480 YBXZGRZUWOIZDM-UHFFFAOYSA-N 430.848 4.026 5 20 IIBD CCc1nc(CCNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cs1 609874982 AJEXEDJDPWSLKP-UHFFFAOYSA-N 440.312 4.079 5 20 IIBD CCOc1ccc([C@H]2CCCN2C(=O)COc2ccc(Br)cc2[N+](=O)[O-])cc1 610219209 NCZNKSCMDMMXCM-QGZVFWFLSA-N 449.301 4.499 5 20 IIBD COC(=O)C1(CN[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCCC1 610587246 ORERRTWKSJMROL-IBGZPJMESA-N 445.903 4.251 5 20 IIBD CC(C)c1[nH]nc(C(=O)NCCOc2ccc3cc(Br)ccc3c2)c1[N+](=O)[O-] 610920534 FHSLZMILRSZAHT-UHFFFAOYSA-N 447.289 4.166 5 20 IIBD O=C(c1cc2c(C(F)(F)F)cc(O)nc2o1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 611223519 KZSYGHRJAZMVLZ-QGZVFWFLSA-N 439.371 4.348 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 612624780 WHOUALSVJIMXQZ-GDNZZTSVSA-N 448.385 4.399 5 20 IIBD CCN(Cc1ccc(Cl)c(Cl)c1)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O 726586473 AIZHGVFYQSKZEV-UHFFFAOYSA-N 437.283 4.150 5 20 IIBD CCOC(=O)C1=C(C)N([C@@H](C)CC)C(=O)N[C@H]1c1csc(-c2cccc([N+](=O)[O-])c2)n1 733121472 NKAIRSLMBQTEIT-SGTLLEGYSA-N 444.513 4.420 5 20 IIBD Cc1nonc1CNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 736153612 WGKIDHGWMYPAEM-XNTDXEJSSA-N 435.465 4.143 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 741207537 SESUASZFFOKTHJ-MDWZMJQESA-N 433.508 4.038 5 20 IIBD COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 741240658 UWBXFQCVCJBXFX-AWEZNQCLSA-N 436.867 4.256 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 741985166 CGHAKIPPOLKASI-ROUUACIJSA-N 446.548 4.008 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NCc2ccccc2CN(C)Cc2ccco2)c1[N+](=O)[O-] 742411840 XSKZQXCQLQQKRH-UHFFFAOYSA-N 440.456 4.141 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCC[C@@H](O)c2ccccc2)c([N+](=O)[O-])c1 742428010 YCSOMWOGELAEIC-JOCHJYFZSA-N 434.448 4.148 5 20 IIBD Cc1ccc(C2=NN(C(=O)COC(=O)c3cc([N+](=O)[O-])ccc3C)[C@@H](c3ccco3)C2)cc1 743000007 DMBXUHDEGGZAQI-OAQYLSRUSA-N 447.447 4.339 5 20 IIBD COc1ccccc1CC(C)(C)C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 745013555 AXKXVHLWUFODOD-ZDUSSCGKSA-N 434.876 4.396 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)COc2cc(Cl)cc(Cl)c2)cccc1[N+](=O)[O-] 745602559 ZVMHGFSNGJMXOK-LLVKDONJSA-N 427.240 4.159 5 20 IIBD C[C@@H](OC(=O)c1ccccc1NC(=O)OC(C)(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 748336271 SNPXVVYWCKPOJO-CYBMUJFWSA-N 429.429 4.126 5 20 IIBD Cc1c(C(=O)N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748734142 ZDBUDFUQGUVKGW-LAUBAEHRSA-N 427.457 4.360 5 20 IIBD COC(=O)c1cc(F)ccc1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1-c1cccs1 758288825 PNTMNNJXTOXLNS-UHFFFAOYSA-N 437.426 4.017 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc2ccccc2cc1OC(F)F 761510208 KFGBUYVVYXSVJB-UHFFFAOYSA-N 430.363 4.453 5 20 IIBD C[C@H](C[C@H](O)c1ccccc1)NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 762687027 OHRLTCNAJDTXKN-XIKOKIGWSA-N 449.294 4.329 5 20 IIBD CCCOC(=O)c1cc(-c2cncnc2)ccc1NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 763197793 QMOHQOLPNFTCMB-OAHLLOKOSA-N 434.452 4.361 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 764157103 XEEUEIWJVVEPDU-UHFFFAOYSA-N 440.681 4.030 5 20 IIBD COc1ccc([C@@H](C)OC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1Cl 764616593 GOHRXUCJPQJJTE-KUHUBIRLSA-N 446.887 4.474 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2C[C@@H](C)OC[C@H]2c2ccccc2)c1=S 765047736 AHLIAGNETNLUHA-UZLBHIALSA-N 439.541 4.429 5 20 IIBD CC(C)c1ccc(-c2noc(COC(=O)c3cc(Br)ncc3[N+](=O)[O-])n2)cc1 769838181 HQAYBMJOGWZFTI-UHFFFAOYSA-N 447.245 4.283 5 20 IIBD CC(C)c1nc2ccccc2n1Cc1noc(CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 771308246 RETKRCHJCUKDRA-UHFFFAOYSA-N 436.428 4.193 5 20 IIBD O=C(CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)NC[C@@H](O)COCC1CC1 771588682 URHIRJNXMGBWRB-OAQYLSRUSA-N 429.516 4.451 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H](O)c2c(Cl)cccc2Cl)cc1OC 771719890 OYGZOXIYRWNQBH-MLCYQJTMSA-N 443.283 4.161 5 20 IIBD Cc1nn(C)c(Cl)c1Cc1noc(-c2cc(Br)c(C)c([N+](=O)[O-])c2)n1 771774535 AVZISEZRYVIYDW-UHFFFAOYSA-N 426.658 4.002 5 20 IIBD COC(=O)N1CCC([C@@H](C)NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 776963564 DZSNNKFGYBJYQI-OAHLLOKOSA-N 443.525 4.343 5 20 IIBD CC1(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCN(C(=O)OC(C)(C)C)CC1 778075152 XGZXNMUWVCJZJT-UHFFFAOYSA-N 446.529 4.238 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccccc1 778142305 ZYHOZWIRNMXXNI-OAQYLSRUSA-N 435.436 4.031 5 20 IIBD NC(=O)c1ccc(COC(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)c([N+](=O)[O-])c1 781420767 DIMOIZMLUOBNBB-UHFFFAOYSA-N 442.777 4.141 5 20 IIBD COc1ccc(CSCC(=O)O[C@H](C)c2noc(-c3ccccc3)n2)cc1[N+](=O)[O-] 784648550 KIVCXQAQLIWICM-CYBMUJFWSA-N 429.454 4.191 5 20 IIBD C[C@@H](OC(=O)c1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1)c1ccccc1[N+](=O)[O-] 784847322 ARRHQVJHZATKMW-NVXWUHKLSA-N 444.488 4.281 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 785879120 AGVKLUHHERZBAU-UHFFFAOYSA-N 444.492 4.316 5 20 IIBD O=C(OCc1nncn1-c1ccccc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 786525573 AVCDQFDZOOGMBX-UHFFFAOYSA-N 430.420 4.112 5 20 IIBD O=C(COCc1nc2ccccc2s1)O[C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 787022095 LJKHEXVOUPUGST-HNNXBMFYSA-N 445.472 4.072 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2cnc3onc(-c4ccccc4)c3c2)c(Cl)c1 787913929 HYDJDZONXSBWEL-UHFFFAOYSA-N 431.813 4.219 5 20 IIBD Cc1c(CNC(=O)N2CCC(N(CC3CC3)C(=O)OC(C)(C)C)CC2)cccc1[N+](=O)[O-] 790563321 BURKHSFKYMUMJS-UHFFFAOYSA-N 446.548 4.224 5 20 IIBD C[C@H](NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)c1ccc(F)cc1F 790761405 LJNDYFXDQWWQOJ-JTQLQIEISA-N 440.244 4.464 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(COC(=O)c2nc3cccnc3s2)cc1OC 792381947 PKISRUBXSCEJKS-GFCCVEGCSA-N 431.470 4.390 5 20 IIBD Cc1cc(OCC(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)cc2)c(Cl)cc1[N+](=O)[O-] 795244883 FNJNKVCAUABPJQ-GASCZTMLSA-N 433.892 4.188 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)O[C@@H](C)C(=O)N(c1nccs1)C1CCCCC1 795717703 LXACLMUEYJLDTL-AWEZNQCLSA-N 447.513 4.361 5 20 IIBD COc1c(C(=O)OCc2ncc(-c3cccc(Br)c3)o2)cccc1[N+](=O)[O-] 796308040 BMQSWBHEZXBUJC-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD Cc1nc(-c2ccc([C@H](C)NC(=O)C(=O)Nc3c(F)ccc([N+](=O)[O-])c3C)cc2)cs1 800597764 TZRZNNMJKREFDH-LBPRGKRZSA-N 442.472 4.290 5 20 IIBD CCN(CC)CCOC(=O)c1cccc(C)c1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 808826337 CKSFSFOPBIQKMP-UHFFFAOYSA-N 433.892 4.308 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 809916627 QKEBISGCDBHELO-LLVKDONJSA-N 426.807 4.250 5 20 IIBD COc1ccccc1-c1nnc(SCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])n1N 809943724 CUYQWPABKIMQSA-UHFFFAOYSA-N 426.285 4.175 5 20 IIBD COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OC(=O)OC1CCOCC1 810034986 XNLSZCPNBLUCPF-IBGZPJMESA-N 440.452 4.280 5 20 IIBD O=C(CCc1nc(-c2ccco2)no1)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811216188 JAFIBUNSNQLGSS-UHFFFAOYSA-N 426.410 4.037 5 20 IIBD O=C(c1cc(-c2ccccc2C(F)(F)F)on1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 812446974 LHUNCZPYJKAXES-UHFFFAOYSA-N 446.385 4.231 5 20 IIBD CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](COC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 813158413 BINJYFYJHJCJSM-CYBMUJFWSA-N 439.415 4.125 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 813244480 DUCOSGGXUOIIPE-UHFFFAOYSA-N 430.869 4.474 5 20 IIBD C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C[C@H](c2cccc(C(F)(F)F)c2)O1 813627528 GSBPPNSQIXLZJP-ZUOKHONESA-N 449.429 4.472 5 20 IIBD C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(Cl)cc1Cl 814795921 PFGNWVRLXMPAJF-QMMMGPOBSA-N 437.688 4.356 5 20 IIBD CC(C)COC(=O)N1CCC(C(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 815202401 VPYRADGVABVBHJ-UHFFFAOYSA-N 432.395 4.161 5 20 IIBD COc1cc(COC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c([N+](=O)[O-])cc1OC(F)F 815407288 OBTJUKPZFLDFMQ-UHFFFAOYSA-N 446.746 4.432 5 20 IIBD CCn1c(O)nnc1S[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 844263331 TWNKHIVHRDFWFY-OAHLLOKOSA-N 433.877 4.037 5 20 IIBD COc1ccc(CNc2cc(C(N)=O)ccc2F)cc1OCc1ccc([N+](=O)[O-])cc1 863997800 ZESMHDNSRWVBHL-UHFFFAOYSA-N 425.416 4.033 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccc(-c3nc(-c4ccccc4F)no3)cc2)c1 904774290 ZSAISLDVRAQEBH-UHFFFAOYSA-N 441.396 4.219 5 20 IIBD CCOC(=O)c1cc(C(=O)O[C@H](C(=O)Nc2ccccc2Cl)C(C)C)cc([N+](=O)[O-])c1 915376926 ZIXICIQPSIHXDJ-SFHVURJKSA-N 448.859 4.245 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)cc1[N+](=O)[O-] 917756870 RYHGDHXBYPPXHG-OAHLLOKOSA-N 436.424 4.276 5 20 IIBD Cc1ccc(C(=O)N(C)c2ccc(OS(=O)(=O)c3c(C)cccc3[N+](=O)[O-])cc2)cc1 917860049 WOLXXVPJVWJTRW-UHFFFAOYSA-N 440.477 4.256 5 20 IIBD COc1ccc(Br)cc1C(=O)CCC(=O)OCc1cc(F)ccc1[N+](=O)[O-] 918803608 CRVBOGGUUOSMLC-UHFFFAOYSA-N 440.221 4.211 5 20 IIBD C[C@H](Nc1ccc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-])c1ccccn1 919713170 SCRBXLJVEZBSIT-HNNXBMFYSA-N 435.440 4.343 5 20 IIBD Cc1nn(C)c(C(=O)Nc2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)c1[N+](=O)[O-] 919983560 CORGIYQPCNLBAR-UHFFFAOYSA-N 443.382 4.255 5 20 IIBD CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 920207890 NLJZXNQOKAHNQT-OCCSQVGLSA-N 427.448 4.103 5 20 IIBD COc1cc(/C=C\C(=O)N2CCc3ccc([N+](=O)[O-])cc32)ccc1OCc1c(C)noc1C 1087022115 DLXCCGBZCKXLBE-UITAMQMPSA-N 449.463 4.390 5 20 IIBD Cc1nn(C)cc1CCC(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1OCc1ccccc1 1318501799 NAANMRRIYZDHEW-UHFFFAOYSA-N 428.876 4.440 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)cc([N+](=O)[O-])c1 1318611490 VIWUDZQUOXNRTR-UHFFFAOYSA-N 427.800 4.474 5 20 IIBD O=C(Cc1csc(-c2c(Cl)cccc2Cl)n1)OCCn1ccc([N+](=O)[O-])n1 1318910185 MIQFJRSNXKTRLV-UHFFFAOYSA-N 427.269 4.008 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC2(CCCC2)c2cc(Br)ccc21 1319280537 QFGWICLLQMZKIJ-UHFFFAOYSA-N 433.306 4.111 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)Nc1ccc(C2(NC(=O)[C@@]3(C)C[C@@H]3C)CCC2)cc1 1790809037 AYXGTQMLWCIFQA-WNSKOXEYSA-N 437.496 4.403 5 20 IIBD O=C(CC1CC1)NC1(c2ccc(NC(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2)CCC1 1790825602 XCJUBNHTEXKVFA-UHFFFAOYSA-N 433.468 4.019 5 20 IIBD Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)c(F)c1 1823614824 CHTAZQWLSOORKF-LJQANCHMSA-N 443.475 4.182 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CCC2)CC1 1826250314 GDTAIOOOIVRIBN-FQEVSTJZSA-N 431.508 4.076 5 20 IIBD Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)C3=CCCC3)CC2)cc1[N+](=O)[O-] 1826277847 KUJRKCQXEDSHLN-QFIPXVFZSA-N 439.556 4.176 5 20 IIBD CCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1831387577 OFESZTLFOXLILX-HXUWFJFHSA-N 433.524 4.403 5 20 IIBD COc1ccc(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)cn1 11003784 KPLCJMXWYMOFEJ-UHFFFAOYSA-N 443.843 4.383 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)Nc1cccc([N+](=O)[O-])c1 15390453 ZMLPQXAPODMNRS-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)/C=C/c1nc2ccccc2s1)c1ccccc1[N+](=O)[O-] 16144744 SMOIAQGSBPFHNM-FLVLSHQESA-N 439.493 4.417 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3ccccc3)nc2C)c([N+](=O)[O-])c1 16166934 XZGWJALILIFGAJ-HNNXBMFYSA-N 435.436 4.158 5 20 IIBD CCn1c(SCc2cc(=O)n3cc(C)ccc3n2)nc2cc3ccccc3cc2c1=O 22178158 AWLDPBMZTXYWRA-UHFFFAOYSA-N 428.517 4.178 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc1[N+](=O)[O-] 22412281 VVFSVEZSCVXJBO-UHFFFAOYSA-N 426.454 4.348 5 20 IIBD CCC[C@H](C)NC(=O)[C@H](C)OC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 22670019 WWTVDOKMHXXZNL-KBPBESRZSA-N 446.887 4.329 5 20 IIBD COc1ccc2cc(CN(C)C(=O)[C@H](C)OC(=O)c3ccc([N+](=O)[O-])c(C)c3)ccc2c1 22736806 LGDCEVFWAWVDSM-INIZCTEOSA-N 436.464 4.269 5 20 IIBD CCOc1c(Br)cc(C(=O)OCc2cc([N+](=O)[O-])ccc2OC)cc1OC 24220243 IIMKEAOYOSAMIG-UHFFFAOYSA-N 440.246 4.130 5 20 IIBD O=C(COC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)Nc1ccc2ccccc2c1 25211439 OBXVMPSMADZCCQ-UHFFFAOYSA-N 433.464 4.146 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2nc3cc(Cl)ccc3s2)cc1[N+](=O)[O-] 26265495 MASIKVKXHMURGA-UHFFFAOYSA-N 446.901 4.390 5 20 IIBD C[C@@H](OC(=O)Cc1ccccc1Cl)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 28627230 JKBUKSVULKMZHY-GFCCVEGCSA-N 445.884 4.485 5 20 IIBD Cc1c(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)nnn1-c1cccc([N+](=O)[O-])c1 30300133 YFUPDFMDSBPDKT-UHFFFAOYSA-N 445.401 4.308 5 20 IIBD O=C(Nc1ccccc1Br)c1cc([N+](=O)[O-])ccc1I 31663079 SCPYIGCXMGLPMV-UHFFFAOYSA-N 447.026 4.214 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2cccc(-c3nncn3C)c2)cc1[N+](=O)[O-])c1ccccn1 108782207 KNHARVHYXREAFL-HNNXBMFYSA-N 443.467 4.211 5 20 IIBD CCN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(Br)cn1 110039561 PGAOXTHNXCWFHW-UHFFFAOYSA-N 436.309 4.365 5 20 IIBD CCOc1cc(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)c([N+](=O)[O-])cc1OC 111006432 YLBZIGXBWDCUQU-UHFFFAOYSA-N 439.472 4.133 5 20 IIBD O=C(Nc1ccc(I)cc1)c1cc([N+](=O)[O-])ccc1OC(F)F 218924964 XTPAUVHBZGSLLX-UHFFFAOYSA-N 434.136 4.053 5 20 IIBD CC(C)c1ccc(CNCc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1[N+](=O)[O-] 236719813 GNDFRBDUNCMNDX-ROUUACIJSA-N 425.529 4.257 5 20 IIBD Cn1c(Sc2ccc(Br)cc2[N+](=O)[O-])nnc1[C@@H]1COc2ccccc2O1 301203729 XVXNNYLOGXBWAY-AWEZNQCLSA-N 449.286 4.150 5 20 IIBD C[C@H](Cc1ccc(F)c(Br)c1)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] 301929199 JEYOIDUKLYDXOC-MRVPVSSYSA-N 437.312 4.005 5 20 IIBD COc1cc(N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)c(F)cc1[N+](=O)[O-] 301968997 PYKFNTYHSKLKJS-UHFFFAOYSA-N 428.247 4.012 5 20 IIBD CCCOc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1Cl 303451599 JTCRBYSQVPJYNZ-AWEZNQCLSA-N 437.905 4.342 5 20 IIBD O=C(Cc1csc(Cc2cccc(Cl)c2)n1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 426640792 VIAHTJJQCUIWDZ-UHFFFAOYSA-N 438.896 5.025 5 20 IIBD CSc1ccc(C(=O)Nc2ccc(F)cc2I)cc1[N+](=O)[O-] 426871246 KDWMTTKZJZNVMV-UHFFFAOYSA-N 432.214 4.313 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](c2cccc(C(F)(F)F)c2)O[C@H](C)C1 428927940 GLSYZBXOZZIBQN-AUUYWEPGSA-N 437.418 4.323 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCc2cccc3c2OCCCO3)cc1[N+](=O)[O-])c1ccccn1 431882843 LVFNAFSTOXSXHC-MRXNPFEDSA-N 448.479 4.254 5 20 IIBD O=C(Cn1cc(Cl)cc([N+](=O)[O-])c1=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 432251894 VHCOOEMVFCMWQM-UHFFFAOYSA-N 443.687 4.086 5 20 IIBD CC(C)NC(=O)c1ccc(NCC2(N[C@@H](C)c3ccccc3)CCOCC2)c([N+](=O)[O-])c1 433773158 DWSGSOUCAJJGJB-SFHVURJKSA-N 440.544 4.045 5 20 IIBD CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1 436078108 PRIATMQJKKPHOC-INIZCTEOSA-N 427.504 4.140 5 20 IIBD COc1ccc(CN(Cc2ccccc2)C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 437423688 CFDRYYSHHPXMFV-UHFFFAOYSA-N 433.464 4.079 5 20 IIBD Cc1ccc(Br)cc1NC(=O)CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 439116534 PITMRPQIIVVASS-UHFFFAOYSA-N 434.290 4.158 5 20 IIBD O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CC[C@@H]([C@H]2CCOC2)C1 441576968 APMJDZCCFZJJAO-MSOLQXFVSA-N 429.904 4.359 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CC[C@@]2(C1)OCc1ccccc12 444325537 FXQJXIJSCPLMDU-VWLOTQADSA-N 432.426 4.231 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cc(NC(=O)C(C)(C)C)ccc3F)n2)c1 445578134 CMBADCFBEKBVES-UHFFFAOYSA-N 428.420 4.368 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(SCc2ccc([N+](=O)[O-])cc2C(F)(F)F)nc1 448107721 MDGVOFQVMRPCJS-UHFFFAOYSA-N 449.476 4.331 5 20 IIBD CC(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 460743631 PZADMAFZGFCRTB-UHFFFAOYSA-N 430.512 4.477 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2cc(-c3ccccc3)on2)cc1[N+](=O)[O-])c1ccccn1 461632522 BFEOEMXKGQPIID-HNNXBMFYSA-N 429.436 5.070 5 20 IIBD O=[N+]([O-])c1cccc(CN(c2nnc(-c3ccccc3F)n2C[C@H]2CCOC2)C2CC2)c1 461637561 ZGOWRMZTFMYTFB-QGZVFWFLSA-N 437.475 4.198 5 20 IIBD O=[N+]([O-])c1ccccc1-c1ccc(CNCc2cccc(N3CCCS3(=O)=O)c2)s1 462538975 MMZSWYWMRGFEPM-UHFFFAOYSA-N 443.550 4.153 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(C(=O)Nc2cccnc2)cc1 462996020 MPZDRHCAALMFEB-LJQANCHMSA-N 432.480 4.127 5 20 IIBD C[C@@H](C(=O)Nc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1)n1cccn1 463094779 BZBBNVLVPOUZCI-LBPRGKRZSA-N 447.373 4.262 5 20 IIBD Cc1ccccc1COc1cccc(NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 465127739 ISMRBXPLZZHKLK-UHFFFAOYSA-N 434.448 4.435 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)NC[C@H]1CC[C@H](O)C1 473813231 RSJHWWRBKJEEBS-WFASDCNBSA-N 437.855 4.140 5 20 IIBD Cc1c(CC(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)cccc1[N+](=O)[O-] 475081802 HTXMNHBMQMRCEK-INIZCTEOSA-N 436.295 4.064 5 20 IIBD Cn1ccnc1[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(F)cc1 475216055 MSBSIJNVKGAACE-INIZCTEOSA-N 437.353 4.397 5 20 IIBD O=C(c1cc(C(=O)N2CC(C3CCCC3)C2)cc([N+](=O)[O-])c1)N1CC(C2CCCC2)C1 477927475 BCHAQACESDKPKE-UHFFFAOYSA-N 425.529 4.119 5 20 IIBD CCn1c(S[C@@H](C)C(=O)N(C)Cc2cccc(F)c2)nnc1-c1ccc([N+](=O)[O-])cc1 481358174 GYZMQNIIRKVVHU-AWEZNQCLSA-N 443.504 4.152 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 482985755 CBSTUIVYXHJVKL-GOSISDBHSA-N 436.917 4.200 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(Cn2cccnc2=O)c1 483157802 NUDQPPPTSFSDFR-UHFFFAOYSA-N 438.509 4.200 5 20 IIBD COC(=O)c1cc(NC(=O)CCc2cc(Br)cs2)c(C)c([N+](=O)[O-])c1 485957882 NJRDDYCWHFWEKU-UHFFFAOYSA-N 427.276 4.085 5 20 IIBD CCCOc1ccc([C@H](C)NC(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)cc1OC 486881789 HKWKQLRZGKPQQC-AWEZNQCLSA-N 445.472 4.370 5 20 IIBD COc1cc(CN2CCC(C(=O)Nc3ccccc3)CC2)c([N+](=O)[O-])cc1OCC(F)F 491180799 BLNCFIMCGRRLTN-UHFFFAOYSA-N 449.454 4.098 5 20 IIBD C[C@@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccc(NC(N)=O)cc1 494305493 ANEGQRNEVXKXEW-OAHLLOKOSA-N 434.452 4.155 5 20 IIBD CN1CCO[C@@H]([C@@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c2ccc(Cl)cc2)C1 494531972 YCRZAPJXHXCIIR-MOPGFXCFSA-N 443.853 4.429 5 20 IIBD COc1ccc(SCCC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1OC 498131393 HILPJPXZQRUQMR-FQEVSTJZSA-N 434.539 4.368 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 499247418 HETYYUZGNQQKJQ-UGSOOPFHSA-N 446.410 4.381 5 20 IIBD CN(C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1cc(Cl)cc(Cl)c1 499533750 LPAILPQYQXVWNA-ZDUSSCGKSA-N 428.297 4.231 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2n[nH]cc2NC(C)=O)C1 501175465 RZMWABALKKESQP-HNNXBMFYSA-N 445.545 4.188 5 20 IIBD Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 502034420 PGTPLQXFEZLEDG-HXUWFJFHSA-N 439.447 4.142 5 20 IIBD C[C@@H]1CCCN(c2ccc(C(=O)N3CCC(n4cc(Cl)cn4)CC3)cc2[N+](=O)[O-])C1 503228830 FHQGHEBDACXPAX-OAHLLOKOSA-N 431.924 4.158 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)NC[C@@H](OCC1CC1)c1ccc(Cl)cc1 503541781 NFZTYJZETCXBCM-LJQANCHMSA-N 443.891 4.092 5 20 IIBD O=C(Nc1cc(N2CCCC2=O)ccc1Cl)C1CCN(c2ccccc2[N+](=O)[O-])CC1 509417834 FZIBZIAOFVZINP-UHFFFAOYSA-N 442.903 4.230 5 20 IIBD CN(Cc1ccccc1)Cc1cccc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 510838719 QQXOFVNRBIFSDE-UHFFFAOYSA-N 444.535 4.189 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCN(c2ccccc2Cl)CC1 510841407 FWOYAIFFSHWAFA-UHFFFAOYSA-N 426.807 4.204 5 20 IIBD CC(=O)Nc1cccc(-n2cnnc2SCc2cc([N+](=O)[O-])ccc2OC(C)C)c1 511045587 SXKQTLBQLWXKMT-UHFFFAOYSA-N 427.486 4.213 5 20 IIBD C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)c2)C1 513242236 YOAOTEUAMLOTSQ-HNAYVOBHSA-N 446.525 4.346 5 20 IIBD O=C(c1ccc(Cl)cc1)N1CCC[C@H](C(=O)N2CCCc3c2cccc3[N+](=O)[O-])C1 513838226 NNDZUMVFEGYSFS-INIZCTEOSA-N 427.888 4.080 5 20 IIBD O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1cc2cc([N+](=O)[O-])ccc2o1 514560103 KXTANEYUDHCLDD-UHFFFAOYSA-N 449.872 4.031 5 20 IIBD C[C@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(c1ccccc1)c1ccccc1 515467353 JBOGYOYVZPIEBZ-IBGZPJMESA-N 445.523 4.042 5 20 IIBD C[C@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1Cl 515633424 LOBFJTPEZYNDLL-ZDUSSCGKSA-N 437.905 4.064 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1c2ccccc2CC12CCOCC2 517510111 LLWDMNTZJGSLDN-LJQANCHMSA-N 445.313 4.490 5 20 IIBD CC(C)Oc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)cc1 517797393 JSEYHPVISURRBU-INIZCTEOSA-N 433.530 4.340 5 20 IIBD Cn1cc(C(=O)N[C@H]2C[C@@H]2c2cccc(Br)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 522079446 FIJDYPIHWVCMHS-AEFFLSMTSA-N 441.285 4.044 5 20 IIBD COc1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)cc1NC(=O)C1CCCCC1 522534671 PPVQKSFFVBKNRL-UHFFFAOYSA-N 437.456 4.251 5 20 IIBD Cc1cccc(C(=O)Nc2cccc(CS(=O)(=O)c3ccc(F)cc3F)c2)c1[N+](=O)[O-] 522676283 UEEIRDSCZVFTAE-UHFFFAOYSA-N 446.431 4.408 5 20 IIBD CN(C)C(=O)c1cccc(NC(=O)CNc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1 522693038 GIIWEGDSLLAGJN-UHFFFAOYSA-N 434.452 4.140 5 20 IIBD O=C(COc1ccccc1)Nc1ccccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 523753320 VYRLNZQXGCYBSN-UHFFFAOYSA-N 436.420 4.058 5 20 IIBD O=C(NCc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1)c1ccc(C(F)(F)F)cc1 524611904 GZBJKGSDFLJGDG-UHFFFAOYSA-N 432.358 4.124 5 20 IIBD COc1ccc(CC(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1[N+](=O)[O-] 531593550 DKEAWOLPQIRYRY-CQSZACIVSA-N 425.268 4.133 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 533386779 RZHCCNKHWPEOTK-MRXNPFEDSA-N 439.491 4.026 5 20 IIBD Cc1ccc(Cn2nc(C)c(CCC(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc34)c2C)cc1 535457485 GDPQZLHEIQGKLQ-UHFFFAOYSA-N 432.484 4.212 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2c(OC)ccnc12 535781137 FRKLNTYTWDACCP-UHFFFAOYSA-N 441.465 4.059 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1 537326345 VDPOENLKRBJEKH-FPOVZHCZSA-N 425.529 4.184 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CC[C@H](CN3CCCC3)C2)cc1 537616750 XSCWOORCKXCUNY-HXUWFJFHSA-N 431.540 4.365 5 20 IIBD O=C(NCCNc1ncnc2ccc([N+](=O)[O-])cc12)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 538823544 JBUQJMUAQCKRNB-HOTGVXAUSA-N 446.294 4.177 5 20 IIBD COc1cc(C(=O)N2CCC[C@H](C)[C@@H]2CO)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 539773523 JVWOAWODAOYTDH-GUYCJALGSA-N 434.876 4.282 5 20 IIBD COC(=O)[C@H]1CC12CCN(Cc1ccc(-c3ccc([N+](=O)[O-])cc3Br)o1)CC2 539827363 SZCQWBHJPDHWNK-MRXNPFEDSA-N 449.301 4.392 5 20 IIBD Cc1nc(NC(=O)[C@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] 540655567 DMCNKNQJAVZUJD-ORAYPTAESA-N 434.855 4.027 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CNc3ccn(-c4cccc(C(F)(F)F)c4)n3)n2)c1 542099810 LRCJZIUBVGWYHK-UHFFFAOYSA-N 430.346 4.461 5 20 IIBD CCc1ccc([C@@H](Nc2ccc(N3CCCS3(=O)=O)cc2)c2ccc([N+](=O)[O-])cc2)o1 543423657 XLDFZLGDXMVJKT-QFIPXVFZSA-N 441.509 4.492 5 20 IIBD COc1ccc(Br)cc1CN(C)C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F 544416752 HIJFUTWTMGSZKE-LLVKDONJSA-N 425.254 4.267 5 20 IIBD COc1cc(OC)c(-c2noc(-c3cc(Br)cc([N+](=O)[O-])c3)n2)cc1OC 545526230 RKWRHDDKANFKRG-UHFFFAOYSA-N 436.218 4.100 5 20 IIBD COc1cc(C(C)=O)ccc1OCCCc1nc(Cc2cccc([N+](=O)[O-])c2C)no1 546493053 ZOUKWHNQRRFQAR-UHFFFAOYSA-N 425.441 4.100 5 20 IIBD COc1ccc(CSCc2nc(-c3ccnc(OCC(F)F)c3)no2)cc1[N+](=O)[O-] 546556864 OEQJJNHNLNYWAW-UHFFFAOYSA-N 438.412 4.126 5 20 IIBD CC[C@@H](CC(F)(F)F)NC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 546915678 UYUQXPODBOMSLO-AWEZNQCLSA-N 437.418 4.353 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc([C@H]2CC(=O)N(Cc3ccccc3)C2)no1 547250096 ZPFYNDPYHAKKDK-HIFRSBDPSA-N 442.859 4.287 5 20 IIBD CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 549415837 GQBVXTJPGPORLZ-HXUWFJFHSA-N 443.454 4.365 5 20 IIBD Cc1nc(C)n(-c2ccccc2NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)n1 550659309 NBMIIGQOHUTLSE-UHFFFAOYSA-N 430.262 4.116 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCOc2ccc(F)cc21 551561225 XTOJCWYNTVEGIY-QGZVFWFLSA-N 448.472 4.033 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(N(C)Cc2ccc(OCc3ccccc3)c(OC)c2)n1 552911184 OKJQRCKKOLSHMH-UHFFFAOYSA-N 437.452 4.000 5 20 IIBD O=C(CN1CCc2c(cccc2NC(=O)Nc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] 553901914 NZRGRIBWTBXRDM-UHFFFAOYSA-N 445.479 4.236 5 20 IIBD CSc1ccc([C@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])N(C)C)cc1 554707610 OIXQVAQRRUAEJD-KRWDZBQOSA-N 438.347 4.112 5 20 IIBD CC1CCN(c2ccc(C(=O)N3C[C@H](c4ccccc4)[C@@H]4COCC[C@@H]43)cc2[N+](=O)[O-])CC1 561189342 GKHZOQLYJPVPPR-VJBWXMMDSA-N 449.551 4.476 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@H](c1cncc(Br)c1)C1CC1 567297143 MYGOVNISIWXXML-INIZCTEOSA-N 439.697 4.356 5 20 IIBD COc1cc(C(=O)Nc2ncsc2C(C)C)c([N+](=O)[O-])cc1OCc1cscn1 569389963 LNNZMPOWANRSAV-UHFFFAOYSA-N 434.499 4.471 5 20 IIBD C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 573544237 KZCQBAULVUIKJV-MRXNPFEDSA-N 445.541 4.290 5 20 IIBD COc1c(C)ccc(NC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c1C 603657034 RAIANMRNVLDYSF-SFHVURJKSA-N 429.473 4.425 5 20 IIBD CCCC(=O)Nc1cccc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c1 603970026 VYVKLWLEASQHAA-UHFFFAOYSA-N 435.484 4.447 5 20 IIBD CCc1cccc2c1OCC[C@@H]2Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl 608831133 CHVDTXCOOYOJLA-KRWDZBQOSA-N 426.860 4.292 5 20 IIBD COc1cc(CCNC(=O)[C@H](C)Oc2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])cc1OC 608903050 XNIXDFNFBGCCMW-NSHDSACASA-N 443.283 4.045 5 20 IIBD COc1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c2ccc(F)cc2)cc1 608940367 YWUMLQUIRXAPDH-OAQYLSRUSA-N 438.411 4.033 5 20 IIBD O=C(C[C@@H]1CCc2ccccc21)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 609651219 SBLAAOYPCGRRDS-INIZCTEOSA-N 433.430 4.382 5 20 IIBD O=C(Nc1ccc(OCCc2ccccc2)nc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 609908319 NYXYLEDHLNBKAH-UHFFFAOYSA-N 429.436 4.049 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCCC[C@@H]1c1noc(C2CC2)n1 609975511 PQIIZSLSKMIURT-MRXNPFEDSA-N 425.470 4.346 5 20 IIBD COC(=O)[C@H](CNC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1)CC(C)C 610201551 QNPAAVNFEADFSV-AWEZNQCLSA-N 437.543 4.076 5 20 IIBD O=C1CN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CN1Cc1ccccc1 611211029 GTIBXDDGXNPBHF-UHFFFAOYSA-N 425.510 4.072 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@@H](CO)[C@@H](C)c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 611304098 VXQOQZKXSZKWEA-HOIFWPIMSA-N 434.496 4.057 5 20 IIBD CCCCN(C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)[C@@H](C)c1ccc(C)o1 618080419 QRABDFRUMFOJMU-HNNXBMFYSA-N 427.457 4.153 5 20 IIBD C[C@@H](OC(=O)Cc1cccc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 727876926 FYEZJPJWCWZGJT-SNVBAGLBSA-N 430.766 4.380 5 20 IIBD O=[N+]([O-])c1ccc(-c2cnn(CN3CCO[C@H](c4ccc(Br)cc4)C3)c2)cc1 728897838 CVFCJIGDBBPDLS-FQEVSTJZSA-N 443.301 4.252 5 20 IIBD O=C(Cc1c(Cl)cccc1Cl)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730703134 JYJYAXRPWNOEMY-ZDUSSCGKSA-N 437.279 4.292 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(C)c1OC(F)F 730856256 DQMWCXOPIIVBOT-UHFFFAOYSA-N 428.775 4.262 5 20 IIBD COc1ccc2cc(CN(C)C(=O)[C@H](C)OC(=O)c3ccc([N+](=O)[O-])c(F)c3)ccc2c1 731519165 QQGHFNOXBIMWFE-AWEZNQCLSA-N 440.427 4.100 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 732524434 CMQGQSRQCCJPCD-UHFFFAOYSA-N 429.401 4.021 5 20 IIBD COc1ccc2c(C)c(CCC(=O)OCc3cc([N+](=O)[O-])ccc3Cl)c(=O)oc2c1 734781982 HHRHPWHMHBTGHI-UHFFFAOYSA-N 431.828 4.348 5 20 IIBD CC1CCN(c2ccc(C(=O)NC[C@H](O)c3ccc(OC(C)C)cc3)cc2[N+](=O)[O-])CC1 734872593 PIVHUEOKOPNJPL-QHCPKHFHSA-N 441.528 4.082 5 20 IIBD CCOc1ccc(-c2noc(CCC(=O)OCc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 734889512 FGVPBGJJFYSEGY-UHFFFAOYSA-N 431.832 4.373 5 20 IIBD CC(C)OC(=O)NCc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1 735024566 TUWCRPFXPOLQNH-UHFFFAOYSA-N 436.262 4.244 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1)N1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 736415570 DZTNFKFRCPLUQJ-UHFFFAOYSA-N 446.419 4.200 5 20 IIBD COc1ccccc1C[C@H](C)CC(=O)OC1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 739368039 AZNHIBGBOHANAK-KRWDZBQOSA-N 442.512 4.393 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NC[C@@H](O)c2ccsc2)c([N+](=O)[O-])c1 739889793 IDGYVXHITISIRS-HXUWFJFHSA-N 447.538 4.017 5 20 IIBD CC(C)(C(=O)OCC(=O)Nc1ncc(C(F)(F)F)cc1Cl)c1ccc([N+](=O)[O-])cc1 740388768 NKKAIRKJIUGNQX-UHFFFAOYSA-N 445.781 4.122 5 20 IIBD Cc1ccc2c(c1)OCCN2C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 741631000 DKGAXRYSZQNJSC-UHFFFAOYSA-N 433.251 4.435 5 20 IIBD COc1ccccc1-c1ccc([C@H](C)NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1 741639991 KDODNZUUXGXVGW-INIZCTEOSA-N 430.464 4.498 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cn1 741905540 BLKDHABPPCQZJN-UHFFFAOYSA-N 426.816 4.156 5 20 IIBD C[C@H]1C[C@H](c2cccc(F)c2)N(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 742322595 USGNXDDORVBCCH-MEDUHNTESA-N 443.294 4.268 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC[C@H](c1ccccc1Cl)N1CCCC1 742389815 MZSBCQNVMKMWNM-HXUWFJFHSA-N 430.892 4.454 5 20 IIBD C[C@@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])[C@H](NC(=O)OC(C)(C)C)c1ccccc1 742694450 RHBCDSBPVFMVEO-QRWLVFNGSA-N 425.485 4.386 5 20 IIBD C[C@H](CCc1ccccc1F)C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 744116875 NFXGLXABDMJJLX-SJLPKXTDSA-N 428.460 4.151 5 20 IIBD O=C(OCc1cc(Cl)ccc1Cl)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 744644884 LWMJPVQCEJYICA-SNVBAGLBSA-N 427.215 4.137 5 20 IIBD CCN(CC1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1)C(=O)OC(C)(C)C 744715898 VPTXPUASVJZNEN-UHFFFAOYSA-N 425.913 4.357 5 20 IIBD CC(C)c1nn(C)c2sc(C(=O)OCc3nc(-c4cccc([N+](=O)[O-])c4)no3)cc12 745535818 NMZUCHWESAMTIZ-UHFFFAOYSA-N 427.442 4.073 5 20 IIBD O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)OCc1cc(Cl)ccc1[N+](=O)[O-] 746064487 UTEUDGOKXKYEJF-OAHLLOKOSA-N 427.265 4.448 5 20 IIBD O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 748288126 PCTUIIROUMMTLM-UHFFFAOYSA-N 427.417 4.163 5 20 IIBD CC[C@H](OC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)c1ccc(NC(C)=O)cc1 748884719 GMYSKIVNOHSVKU-SGTLLEGYSA-N 448.859 4.179 5 20 IIBD O=C(Cc1csc(-c2cccs2)n1)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 750429065 WXRKMHMCXIWWMQ-UHFFFAOYSA-N 444.538 4.177 5 20 IIBD CCOc1cc2c(cc1OCC)CN(C(=O)c1cc([N+](=O)[O-])ccc1Br)CC2 751061331 FNNOJFVDMCTNDO-UHFFFAOYSA-N 449.301 4.353 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2C[C@@H](CCN3CCCC3=O)c3ccccc32)cc1[N+](=O)[O-] 753042141 WJIDNQKGFULIHH-PKOBYXMFSA-N 436.512 4.290 5 20 IIBD CCOc1cc(/C=C\c2ccc([N+](=O)[O-])cn2)ccc1OCCn1c([N+](=O)[O-])cnc1C 753147627 QMXCXJXOCLAASH-XQRVVYSFSA-N 439.428 4.051 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC(Cc2ccc(F)c(F)c2)C1 755020144 ATFSCWCCHSUQGO-UHFFFAOYSA-N 429.192 4.089 5 20 IIBD Cc1nc(COC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)oc1-c1ccc(Cl)cc1 757066886 NIXNNBZCPZCHNS-UHFFFAOYSA-N 430.800 4.340 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1cnc([C@@H]2CCCO2)s1 760350830 ALDRJGUGIRGPDA-HNNXBMFYSA-N 443.485 4.004 5 20 IIBD CC(C)(C)OC(=O)N[C@H](CCc1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1)c1ccccc1 761257034 QBJROECOGQXCAW-QGZVFWFLSA-N 439.472 4.426 5 20 IIBD Cc1nccn1-c1ccc(-c2noc([C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)cn1 761911908 NTEAHOLRYQQMGO-LLVKDONJSA-N 426.820 4.327 5 20 IIBD Cc1nn(-c2ccccc2)c(Cl)c1COC(=O)c1cc([N+](=O)[O-])ccc1SCCO 763744939 QYXXLNPHEREHRM-UHFFFAOYSA-N 447.900 4.184 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)Nc1ccc(C)cc1C 763808944 CPHYQMCAJFFZCI-OAHLLOKOSA-N 432.498 4.134 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1nnc(-c2cccc(Cl)c2)o1 763812232 ZOHHDBQVKWYILL-UHFFFAOYSA-N 449.872 4.394 5 20 IIBD O=C(Nc1cccc(COc2ccccc2)c1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 766431516 NOFFBPPFMZPKDS-UHFFFAOYSA-N 445.431 4.080 5 20 IIBD O=C(COC(=O)/C=C/SCc1ccco1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 767390760 OBNYVIVSXGQRMC-FNORWQNLSA-N 430.360 4.135 5 20 IIBD O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 768058721 CFBBCQQYDZZHSO-HXUWFJFHSA-N 441.553 4.119 5 20 IIBD CC(=O)N1CCCCC[C@@H]1C1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 769401506 KKYUFJKXZZVTBA-LJQANCHMSA-N 438.366 4.360 5 20 IIBD O=C(OCc1csc(C2CCCCC2)n1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 769670232 SQXXSEVIUMSFDO-UHFFFAOYSA-N 443.481 4.109 5 20 IIBD C[C@H]1CCc2c(sc3nc(CCC(=O)Oc4cc(F)cc([N+](=O)[O-])c4)nc(O)c23)C1 771635745 AXGHYUXGNIKBGG-JTQLQIEISA-N 431.445 4.107 5 20 IIBD O=C(NC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1cc(F)c([N+](=O)[O-])cc1F 772789330 BLFFTNHKPREMBR-UHFFFAOYSA-N 430.329 4.328 5 20 IIBD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NC[C@H](O)c2cccc(OCc3ccccc3)c2)n1 774222028 BGKZRUHDEAZOAA-ZLNRFVROSA-N 436.512 4.177 5 20 IIBD O=C(O[C@H]1CCO[C@@]2(CCOC2)C1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 774979492 UDAOJVTWMFCUMD-JTSKRJEESA-N 446.887 4.355 5 20 IIBD C[C@@H](N[C@H](C)c1cccc(N2CCCC2=O)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 775278423 HSCJMLGXJDOOAS-ZIAGYGMSSA-N 430.892 4.053 5 20 IIBD Cc1ccc2nc([C@H]3CCCN(S(=O)(=O)c4cc(Cl)ccc4[N+](=O)[O-])C3)[nH]c2c1 775590155 DJJPIUWEHOBOLZ-ZDUSSCGKSA-N 434.905 4.001 5 20 IIBD Cn1c(COC(=O)c2ccc([N+](=O)[O-])c3cccnc23)nc2ccc(Br)cc21 777062828 BWHBVTBYRWPODV-UHFFFAOYSA-N 441.241 4.149 5 20 IIBD CSc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 778888830 YZJVWLAQPXLGEQ-JTQLQIEISA-N 426.397 4.102 5 20 IIBD Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 782337915 SJZYUVBENQKXTC-UHFFFAOYSA-N 426.882 4.290 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)[C@H](C)Oc2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] 782375098 FMYNGAXLVUJVBX-OLZOCXBDSA-N 440.374 4.260 5 20 IIBD O=C(Nc1ccc(Cl)c(Cl)n1)c1ccc(I)c([N+](=O)[O-])c1 782849092 MRWSJBSUQSTWRL-UHFFFAOYSA-N 438.008 4.154 5 20 IIBD CCN(C(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1Br)C1CCCCC1 783764182 LAJQQTKKUVEBHF-GFCCVEGCSA-N 427.295 4.084 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 784482056 STNVXAMGLJYHTH-OAHLLOKOSA-N 435.402 4.401 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N[C@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-] 786010184 QLRZWYKSPZMXPW-LLVKDONJSA-N 446.257 4.228 5 20 IIBD O=C(COC(=O)c1cc(O)c2ccsc2c1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 786137913 PNPZFJSYZLZPGC-UHFFFAOYSA-N 440.355 4.329 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 788326403 BHZFTBQOVVHNHW-QHCPKHFHSA-N 445.947 4.030 5 20 IIBD CC1CCN([C@H](CNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)c2cccs2)CC1 791197549 RKLCOCDMMUYJOA-LJQANCHMSA-N 434.537 4.064 5 20 IIBD CCCc1nc(C(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nn1-c1ccccc1Cl 791811251 LSRSBCFJBMUUKQ-UHFFFAOYSA-N 445.819 4.047 5 20 IIBD O=C(Nc1cccc(SC(F)F)c1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 793037194 WFJLEEIQUZHZCS-UHFFFAOYSA-N 446.229 4.249 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)c1cc(C)n(Cc2ccco2)c1C 795711560 DALMBEMCBOSLOB-UHFFFAOYSA-N 426.425 4.093 5 20 IIBD COC(=O)/C=C/c1ccc(OC)c(OC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 797161784 UTHPXPQJJJNBGM-GQCTYLIASA-N 425.315 4.028 5 20 IIBD CCCC[C@H](C)C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 799857903 HYXVGQJRELKXAN-IEMQHYRPSA-N 439.921 4.227 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)CCCC(=O)Nc1c(F)ccc([N+](=O)[O-])c1C 800149317 QOIMETYCPJCCED-UHFFFAOYSA-N 436.371 4.146 5 20 IIBD O=C(Nc1ccc(Nc2ccc(F)cc2F)c(Br)c1)c1c[nH]nc1[N+](=O)[O-] 801636059 ARTAPQGLQLMRTB-UHFFFAOYSA-N 438.188 4.355 5 20 IIBD O=C(c1cccn1Cc1cccs1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 803545923 RXGWZEPQMMOPLE-UHFFFAOYSA-N 446.326 4.467 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1)[C@@H]1CCCOC1 804289044 MCTUYXHNAVOTNP-JOCHJYFZSA-N 437.540 4.305 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)OC/C=C/c2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] 809101460 BBFJQUNKZWKWMH-NSCUHMNNSA-N 430.265 4.175 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2-c2nc(-c3cccnc3-n3cccn3)no2)CC1 809326966 YSKOUODBTXIBIX-UHFFFAOYSA-N 431.456 4.129 5 20 IIBD COC(=O)c1sc2ccccc2c1S(=O)(=O)Oc1cccc(Cl)c1[N+](=O)[O-] 815056994 FZHWIEABRDPVAP-UHFFFAOYSA-N 427.843 4.017 5 20 IIBD Cc1ccc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)C1CCCC1 817472701 PATHBTBXYVFONJ-UHFFFAOYSA-N 438.452 4.350 5 20 IIBD COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cc1 819911272 YQPVNLGQJCQGPX-UHFFFAOYSA-N 443.463 4.350 5 20 IIBD C[C@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1c(F)cccc1Cl 852586483 RCHPDURTUMITHT-LBPRGKRZSA-N 440.880 4.070 5 20 IIBD O=C(OCc1nc2ccccc2[nH]1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 901858549 IXICXRFDBSKSFN-UHFFFAOYSA-N 448.401 4.450 5 20 IIBD CC(C)(NC(=O)c1cccc(Cl)c1)c1noc(-c2cc(Cl)c(N)c([N+](=O)[O-])c2)n1 904599470 BRZYQFMDNMAUCT-UHFFFAOYSA-N 436.255 4.199 5 20 IIBD COc1ccc(CSCC(=O)O[C@H](C)c2nnc(-c3cccc(C)c3)o2)cc1[N+](=O)[O-] 914802204 VUJIDFSKNUOJMG-CQSZACIVSA-N 443.481 4.499 5 20 IIBD CN(C)c1ccc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 915303039 RDRQKQMOXGXZDL-UHFFFAOYSA-N 437.422 4.034 5 20 IIBD Cc1ccc(-c2nc(C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cs2)o1 915467121 FRSFDLXLAGNTKF-SNVBAGLBSA-N 435.845 4.457 5 20 IIBD CCC[C@@]1(c2ccccc2)NC(=O)N(Cc2c(Br)cccc2[N+](=O)[O-])C1=O 915661234 QAHKOCBILFDLMQ-IBGZPJMESA-N 432.274 4.105 5 20 IIBD O=C(O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Nc2ccccc2)ccc1Cl 916104698 LVKMQXLSNIPBSY-UHFFFAOYSA-N 447.856 4.491 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1 916828780 WFHGASVCJJPSBW-AUWJEWJLSA-N 441.440 4.187 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1 918400541 SMJYLDYOMCAEMP-UHFFFAOYSA-N 430.392 4.217 5 20 IIBD O=C(OCCc1ccc([N+](=O)[O-])cc1)/C(=C/c1cccs1)n1nnnc1-c1ccccc1 918922992 CJUVULCDFHEUMH-HKWRFOASSA-N 447.476 4.094 5 20 IIBD COc1cc(C(=O)N2Cc3ccccc3[C@@H](C)C2)c([N+](=O)[O-])cc1OCc1cscn1 919883615 KKNWPPJQNHKEKQ-AWEZNQCLSA-N 439.493 4.398 5 20 IIBD CC1(C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)[C@@H]1c1ccccc1 919928452 MTOYPFHMVRVMOC-MRXNPFEDSA-N 425.304 4.129 5 20 IIBD COc1ccc(COCc2cccc(NS(=O)(=O)c3cccc(F)c3[N+](=O)[O-])c2)cc1 921164567 MLFWWXNCLWJLPO-UHFFFAOYSA-N 446.456 4.260 5 20 IIBD CC(C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 921266662 CODCRXSKAKWHDG-UHFFFAOYSA-N 425.254 4.312 5 20 IIBD C[C@H](OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1cccs1 924160074 BNNKHVVCKOFVQB-ZQIUZPCESA-N 434.539 4.432 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCC(O)(c3ccccc3Cl)CC2)c(Br)c1 1255938277 PPLZTXNMCUDCQL-UHFFFAOYSA-N 425.710 4.494 5 20 IIBD O=[N+]([O-])c1ccccc1-c1nnc(-c2ccccc2NS(=O)(=O)c2cccs2)o1 1257731852 XYYBIEBZSIZQTD-UHFFFAOYSA-N 428.451 4.174 5 20 IIBD COc1ccc(-c2nc(C)c(C(=O)N3Cc4ccc([N+](=O)[O-])cc4C3)s2)cc1OC 1318774548 AKUDLFRWLGSSMX-UHFFFAOYSA-N 425.466 4.200 5 20 IIBD O=[N+]([O-])c1cccc(-n2cc(-c3nnc(-c4ccc(COc5ccccc5)o4)o3)nn2)c1 1322847471 LZCCVKLXCDARIJ-UHFFFAOYSA-N 430.380 4.065 5 20 IIBD O=C(COCc1ccncc1)Nc1cc(Cl)c([N+](=O)[O-])cc1OCc1ccccc1 1324053701 OSZFRUQSOSXNSC-UHFFFAOYSA-N 427.844 4.378 5 20 IIBD CC1=C(C(=O)N(C)C)[C@H](c2ccc([N+](=O)[O-])cc2Cl)NC(=S)N1c1ccccc1F 1325205912 LVEKZUDIBFJGJR-SFHVURJKSA-N 448.907 4.185 5 20 IIBD COC(=O)CCCc1nnc(NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)s1 1342916648 RACZWBLQTLTETH-UHFFFAOYSA-N 436.877 4.468 5 20 IIBD CN(C)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CCC2)c1 1785749640 GXKXDBCLUCIMTG-UHFFFAOYSA-N 448.479 4.315 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1Cl)C2 1800699936 QRVSFJXMADTFFJ-QDMKHBRRSA-N 445.878 4.261 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccco2)CC1 1825772387 WFTIEFVXIROPHL-LJQANCHMSA-N 443.475 4.182 5 20 IIBD Cc1ccc(C)c(C(=O)N2CC3(CCCN3C(=O)C3(c4cccc([N+](=O)[O-])c4)CCC3)C2)c1 1845143994 HVKOQPWJZYRJGN-UHFFFAOYSA-N 447.535 4.151 5 20 IIBD Cc1cc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2c2ccccc12 3496101 YUSBRUPWDAGADU-UHFFFAOYSA-N 427.873 4.483 5 20 IIBD C[C@H](OC(=O)c1ccc2ncsc2c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 8938943 SBOVOJAPULTQGY-VIFPVBQESA-N 439.371 4.407 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1cc(F)c(F)cc1Cl)c1ccccc1[N+](=O)[O-] 14376319 KIIRMKIYGHHQPX-MRXNPFEDSA-N 426.803 4.339 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2cccc(OC)c2)c([N+](=O)[O-])c1 15131730 RRZXYIFKFCLANJ-UHFFFAOYSA-N 441.509 4.431 5 20 IIBD C[C@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Br)c1 16720158 DMSFYLKXFCMWMB-NSHDSACASA-N 439.287 4.020 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(Cc3csc(COc4ccc(Cl)cc4)n3)CC2)cn1 26595060 SBCWXOIZOIPSFR-UHFFFAOYSA-N 445.932 4.001 5 20 IIBD O=C(CN1CCc2sccc2[C@H]1c1cccs1)N1CCc2cc([N+](=O)[O-])ccc21 27372077 XIKLHHICJUJURK-NRFANRHFSA-N 425.535 4.255 5 20 IIBD CCOc1cc(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)c([N+](=O)[O-])cc1OC 27378329 NSRBWEAKJTZYFR-AWEZNQCLSA-N 425.441 4.163 5 20 IIBD COc1cc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc(OC)c1OC 27389404 NHSDQYXSQAHHEP-GJZGRUSLSA-N 443.500 4.355 5 20 IIBD CCCCN1C(=O)CC[C@@H](C(=O)OCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1OC 28237504 JSWIRCUCAAPVDJ-OFNKIYASSA-N 440.496 4.427 5 20 IIBD COc1cc(C(=O)NCc2c(OC)ccc3ccccc23)c([N+](=O)[O-])cc1OC(F)F 31189381 LWCSCUCJNPXCPK-UHFFFAOYSA-N 432.379 4.297 5 20 IIBD CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1cc(Br)ccc1F 109405462 IPVOGBIOTJZKOL-UHFFFAOYSA-N 430.661 4.220 5 20 IIBD CNC(=O)c1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 237056008 DUCKIQDFGORKMJ-UHFFFAOYSA-N 441.491 4.097 5 20 IIBD COc1cc(N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)ccc1[N+](=O)[O-] 301416648 RALBPTRPZKVZGX-UHFFFAOYSA-N 428.489 4.188 5 20 IIBD O=C(c1cc2ccccc2[nH]1)N1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 301885006 ZJPKHFPGMNBXHV-UHFFFAOYSA-N 427.464 4.101 5 20 IIBD Cc1ccccc1-c1csc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)n1 303478697 OFMYMPAKKWDUFQ-OAHLLOKOSA-N 442.522 4.332 5 20 IIBD COc1cccc(-c2nn(C(C)(C)C)cc2CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 425961267 SBYGNDVLQFMXRB-UHFFFAOYSA-N 438.532 4.256 5 20 IIBD C[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](c2cccc(C(F)(F)F)c2)O1 428925726 HJOMBDNITCILMR-LIRRHRJNSA-N 437.418 4.404 5 20 IIBD COCc1nc2cc(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])ccc2o1 430795275 FCZIZCOULVOAAK-UHFFFAOYSA-N 425.319 4.076 5 20 IIBD C[C@H](NC(=O)N(C)CC(=O)NC(c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 431847690 VTHJLKJRUOPPTC-SFHVURJKSA-N 446.507 4.203 5 20 IIBD C[C@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(OCc2ccccc2)c1 433715765 VWYOIXYBIPAGAB-SFHVURJKSA-N 447.491 4.171 5 20 IIBD O=C(NCc1cccc(NC(=O)C2CCC2)c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 436091227 UKENLBPYADFHAR-UHFFFAOYSA-N 425.488 4.350 5 20 IIBD O=C(NCCCc1nc(-c2ccncc2)cs1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 438047673 HAYSDRNXZOPUAV-UHFFFAOYSA-N 436.415 4.495 5 20 IIBD CC(C)[C@H](NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(C(F)(F)F)cc1 440040347 WUHVIEFRTZYCTM-SFHVURJKSA-N 437.374 4.035 5 20 IIBD COC(=O)c1cc(Br)cc(NC(=O)c2cc([N+](=O)[O-])ccc2C)c1Cl 440161606 HCVVAAKPUWLXTF-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD O=C(Cc1noc(C(F)(F)c2ccc([N+](=O)[O-])cc2)n1)Nc1ccccc1C(F)(F)F 445426550 KFPZSKYQYUJHTI-UHFFFAOYSA-N 442.300 4.318 5 20 IIBD Cn1cnc([N+](=O)[O-])c1-c1noc(/C=C\c2cn(-c3ccccc3)nc2-c2ccccc2)n1 445580713 UGEADNDJVWDEDC-SEYXRHQNSA-N 439.435 4.401 5 20 IIBD CN(C)CCOc1ccccc1CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] 447691520 SGRMJOCWAOYNID-UHFFFAOYSA-N 434.365 4.196 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@@H]3[C@H]3CCCO3)n2CCc2ccccc2)c1 460411927 KKWONJHQUZLQQL-FGZHOGPDSA-N 433.512 4.244 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(c1nnc(-c3cccc(Cl)c3)n1C[C@@H]1CCOC1)CC2 461520185 OPXAXGGXGWVTGB-HNNXBMFYSA-N 439.903 4.106 5 20 IIBD COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NCc1cccc([N+](=O)[O-])c1C 462211726 SXBWYXOERDUGAF-UHFFFAOYSA-N 433.530 4.089 5 20 IIBD COc1ccc([C@@H](Cc2ccccc2)NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 462360058 PNOGNQCTGKSLNN-JOCHJYFZSA-N 449.511 4.130 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)cc1 462920560 ZWOJMIWHRPNXEP-CYBMUJFWSA-N 443.472 4.400 5 20 IIBD O=C(c1c(Cl)cccc1I)N1CCc2cc([N+](=O)[O-])ccc21 463646127 YJOWWDZHTOZLRP-UHFFFAOYSA-N 428.613 4.056 5 20 IIBD CC(C)(C)OC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)c(F)c1 463802789 VCVDDKABMNHBNP-UHFFFAOYSA-N 447.444 4.038 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NCC1(c2ccc(Cl)cc2)CCCC1 465162974 FYJUEKZQIQNRDV-UHFFFAOYSA-N 430.888 4.190 5 20 IIBD COc1ccc([C@@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)c2cccc(S(C)(=O)=O)c2)cc1 467854114 UWABUIAFWNEBRY-WAIKUNEKSA-N 440.521 4.447 5 20 IIBD CCCN1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)c(OCC)c2)CC1 468029177 KLTUYIVKQQSUKY-UHFFFAOYSA-N 426.517 4.086 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N2CCO[C@H](C(C)(C)C)C2)cc1[N+](=O)[O-] 468527430 JHXNEOOHGHJCAV-FQEVSTJZSA-N 442.537 4.435 5 20 IIBD CC(C)(CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(Cl)c1F 469621542 PLGNRPIXXBIWTG-UHFFFAOYSA-N 428.247 4.073 5 20 IIBD Cc1[nH]c2ccccc2c1C1=CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 471162630 XGGZHOQZOCAOJD-UHFFFAOYSA-N 432.480 4.472 5 20 IIBD COc1ccc(-c2csc(CNC(=O)c3cc(OC)c(OC)c([N+](=O)[O-])c3)c2)cc1 473461383 LAOMMGQYPRHDGH-UHFFFAOYSA-N 428.466 4.279 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 473693176 BXNNZRAPCBXOBZ-UHFFFAOYSA-N 425.268 4.429 5 20 IIBD Cc1cc(C(=O)CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1CCc1ccc(F)cc1 477048841 YRYZAVUJBMOEMJ-UHFFFAOYSA-N 444.484 4.052 5 20 IIBD CSc1ccc(C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)cc1[N+](=O)[O-] 478372752 QMDCNWLBKHPTML-UHFFFAOYSA-N 443.506 4.370 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(NC(=O)N(C)C)cc1 478573138 ONMWSOWEFUBCQZ-UHFFFAOYSA-N 430.530 4.366 5 20 IIBD CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 479715876 NYWUKMWDZKNKTC-HNNXBMFYSA-N 441.513 4.213 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@H]2CC[C@H](c3ccccc3F)C2)ccc1[N+](=O)[O-] 482903869 TVKWFCAKWRIQSV-SGXKBVARSA-N 439.487 4.099 5 20 IIBD Cc1cnn(-c2ccc(NC(=O)c3sc(Br)cc3[N+](=O)[O-])cc2F)c1 485494771 ORJKRWIIVUIWKC-UHFFFAOYSA-N 425.239 4.304 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1nc2ccc(F)cc2n1C 487441707 CMJXOTGOSKRQMP-UHFFFAOYSA-N 430.505 4.341 5 20 IIBD O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@@H](OCc2ccccn2)C1 488120449 CRDACWAZOLOARY-OAQYLSRUSA-N 432.480 4.033 5 20 IIBD Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 488909554 NFLLCMBZJWNDRS-MSOLQXFVSA-N 447.539 4.499 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C[C@H](C)c1ccccc1)[C@@H](C)CO 489453525 XUNCSGVZUSULMI-KBPBESRZSA-N 435.318 4.292 5 20 IIBD Cc1ccc([C@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2O)cc1[N+](=O)[O-] 489673756 CJQWHZNERVSLCP-HRAATJIYSA-N 447.491 4.244 5 20 IIBD COc1ccc(Cn2ccc(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)n2)cc1 490385582 QRCIPAPLUKGQOI-UHFFFAOYSA-N 435.465 4.224 5 20 IIBD O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)c1cc([N+](=O)[O-])ccc1SCCO 497857507 DVUXJPUIFFCCJT-QGZVFWFLSA-N 438.452 4.088 5 20 IIBD CC(C)c1nnc(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1C 499130912 PZHQICJMBOWRSA-UHFFFAOYSA-N 429.864 4.222 5 20 IIBD CCc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)cc1S(C)(=O)=O 499616851 YPIVJCUIXFPXBU-UHFFFAOYSA-N 445.522 4.245 5 20 IIBD CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 502478491 MXDHVMRPHSUJNR-OSPHWJPCSA-N 433.508 4.309 5 20 IIBD COc1cc(C(=O)N2CCCc3cc(Br)cc(F)c32)c([N+](=O)[O-])cc1OC 502745331 QFAPCGRSNUNMSY-UHFFFAOYSA-N 439.237 4.107 5 20 IIBD Cc1cccc(Oc2cc(CNS(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)ccn2)c1C 503507153 SQFDDDUUFQDJPE-UHFFFAOYSA-N 441.509 4.061 5 20 IIBD COc1cc(C(=O)N2CCC[C@@H]2C[C@H](C)O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 504747039 XPFALHSRVVTLPT-XJKSGUPXSA-N 434.876 4.425 5 20 IIBD CCOC(=O)c1cnc(C)c(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c1 506533377 TYZZAGXGAZSQBU-UHFFFAOYSA-N 434.452 4.339 5 20 IIBD O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 507308843 HTTJGTPUBJBXIZ-AZUAARDMSA-N 440.393 4.256 5 20 IIBD C[C@@H](CCc1ccc(Br)cc1)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 507803169 ZMNDRGUAMTUXJI-AWEZNQCLSA-N 443.301 4.294 5 20 IIBD CCn1c(SC[C@H]2CCN(C(=O)c3ccccc3)C2)nnc1-c1ccc([N+](=O)[O-])cc1 509074062 GGUSFTMQPBTZRS-INIZCTEOSA-N 437.525 4.128 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@H]1c1ccc2c(c1)OCCO2 510836199 HEWWCBJQUAZSCS-HNNXBMFYSA-N 435.383 4.336 5 20 IIBD CCOc1ccc([C@@H](C)NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1OC 510845629 WPAFMCOLSATFCB-LLVKDONJSA-N 425.388 4.486 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 511722642 WYLXKHKGKOHHNU-MRXNPFEDSA-N 433.333 4.418 5 20 IIBD COc1cccc(OC(F)(F)F)c1CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 513001210 CFGHEPCXXNWXRM-UHFFFAOYSA-N 436.390 4.192 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CNc2cc(S(C)(=O)=O)ccc2F)cc1OC 513646535 ZHTLYTQYSLJZLZ-ZDUSSCGKSA-N 440.493 4.183 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NCC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 514691872 HOGZQTQELUEDOW-INIZCTEOSA-N 426.454 4.048 5 20 IIBD O=C1C[C@@H](Nc2cccc(COc3cccc(F)c3)c2)C(=O)N1c1cccc([N+](=O)[O-])c1 516152616 BFIQNVUJLRPFPC-OAQYLSRUSA-N 435.411 4.057 5 20 IIBD CCN(C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1C 516525890 BXPYKRDXFCNKGE-UHFFFAOYSA-N 439.493 4.371 5 20 IIBD Cc1ccc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)c2ccsc2)cc1[N+](=O)[O-] 516741314 RYEJPVAJWRQPLA-GOSISDBHSA-N 429.885 4.462 5 20 IIBD CCCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H](C)c1ccccc1Br 518142017 BERKGZYRQDSJEP-CYBMUJFWSA-N 434.290 4.296 5 20 IIBD COc1ccc(CN(C)C)cc1NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 518415301 GMNIRZZXPBBKKI-MRXNPFEDSA-N 449.511 4.485 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(CNCc2ccc(C(C)C)c([N+](=O)[O-])c2)s1 518780288 KBKFWPWVZQODDN-UHFFFAOYSA-N 425.576 4.100 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1 519202104 ZXCWWGDTPAKBPA-UHFFFAOYSA-N 445.541 4.363 5 20 IIBD COc1ccc(COCc2cccc(NS(=O)(=O)c3c(F)cccc3[N+](=O)[O-])c2)cc1 521009941 HGUMHYFDESSQOQ-UHFFFAOYSA-N 446.456 4.260 5 20 IIBD CC[C@H](C)n1ncc2c(C(=O)Nc3cc(C)nn3-c3ccc([N+](=O)[O-])cc3)cc(C)nc21 521085948 GIORPEOLAIEACU-HNNXBMFYSA-N 433.472 4.365 5 20 IIBD Cc1cc(CNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)ccc1Oc1ccc(F)cc1 521149228 FCZWBUBXAUOWEO-UHFFFAOYSA-N 431.445 4.094 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(CCN2CCSCC2)cc1 522641638 UHYLASVWIUKAIH-UHFFFAOYSA-N 449.960 4.247 5 20 IIBD CC(C)NC(=O)c1ccc(N[C@H]2CCN(c3ccccc3OC(F)F)C2)c([N+](=O)[O-])c1 522646247 GZLYPPPFOCDPLF-HNNXBMFYSA-N 434.443 4.025 5 20 IIBD COc1ccc(CC[C@@H]2CCCCN2C(=O)COc2ccc([N+](=O)[O-])cc2)cc1OC 523173808 FBQHAERJNYVAFU-SFHVURJKSA-N 428.485 4.005 5 20 IIBD O=C(NCc1cccc(NC(=O)C2CCCCC2)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 524450104 REGATMATZZPQAL-UHFFFAOYSA-N 447.495 4.229 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](Cc2ccc(C)cc2)c2ccccn2)cc1OC 524536639 IAXUWJILAZRRHO-FQEVSTJZSA-N 435.480 4.419 5 20 IIBD Cc1ccccc1[C@@H]1CN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 525102505 RTQVOKLMDGAFEU-IBGZPJMESA-N 437.418 4.324 5 20 IIBD CN(Cc1c(F)cccc1Cl)C(=O)COc1ccc(Br)cc1[N+](=O)[O-] 525112426 RKSOHDIFWKRJOK-UHFFFAOYSA-N 431.645 4.187 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NCc2cccc([N+](=O)[O-])c2)c1 525176417 FHPBCIHNJSBJNT-UHFFFAOYSA-N 441.509 4.431 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2ccc(F)cc2)C1 526040717 RFDVRMRYZYINDG-HNNXBMFYSA-N 432.473 4.019 5 20 IIBD COc1ccc(CC(=O)N(Cc2ccc3c(c2)OCO3)C2(C)CCCC2)cc1[N+](=O)[O-] 530471422 LNIMYLWNLQBZBH-UHFFFAOYSA-N 426.469 4.236 5 20 IIBD O=C(NCc1n[nH]cc1Br)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 532010876 IXJJFCYZUKBGHT-UHFFFAOYSA-N 433.287 4.162 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2Br)cc1 533787780 TVVFGGAUYNKMMH-UHFFFAOYSA-N 441.181 4.057 5 20 IIBD CC(C)(C)OC(=O)C1CCC(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 535805556 FJRCZGPPAPOUSW-UHFFFAOYSA-N 431.514 4.349 5 20 IIBD CC(C)[C@H](NC(=O)C[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 536305527 UGRFAJMPUYHZHL-JCOAXYOVSA-N 441.509 4.012 5 20 IIBD COCC1(C)CCN(C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 538034584 ISIZGHRYWZHJDF-UHFFFAOYSA-N 442.537 4.436 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 538042217 UALFHEXLURJFMZ-ADLMAVQZSA-N 432.274 4.345 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(OC(C)C)c(OC)c2)c([N+](=O)[O-])c1 538150743 KYCQBZBFSSPKRD-HUUCEWRRSA-N 431.489 4.077 5 20 IIBD O=C(Cc1c[nH]c2cccc(Br)c12)NCCc1ccc(Cl)cc1[N+](=O)[O-] 538695425 MATDGGJMTWVDCQ-UHFFFAOYSA-N 436.693 4.393 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] 539143780 KHOVVTGXVUMOAI-UGSOOPFHSA-N 436.306 4.275 5 20 IIBD C[C@H]1C[C@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CCN1Cc1ccccc1 539489091 VPARHBBJSUDROV-GHTZIAJQSA-N 430.508 4.440 5 20 IIBD O=[N+]([O-])c1ccc(CSc2nnc(N3CCOCC3)n2Cc2ccccc2)c(Cl)c1 542002146 LFIXWDUMBATVDI-UHFFFAOYSA-N 445.932 4.017 5 20 IIBD C[C@H](C(=O)N1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1)c1ccc([N+](=O)[O-])cc1F 542553211 PNBRKUKXZVUAOA-GOEBONIOSA-N 439.443 4.005 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 542562109 BVSIOVQXCSYDSN-PXNSSMCTSA-N 448.516 4.465 5 20 IIBD O=C(Nc1ccc(F)cc1Nc1ccccc1F)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 543099452 IRZBQSASDOOGHQ-UHFFFAOYSA-N 436.378 4.450 5 20 IIBD C[C@H](C(=O)Nc1ccc2c(c1)N(C(=O)C(C)(C)C)CCO2)c1ccc([N+](=O)[O-])cc1F 544431072 UGXJTTALWWTUQA-ZDUSSCGKSA-N 429.448 4.248 5 20 IIBD O=C(NCc1ccco1)c1cccc(-c2noc(CCCNc3ccc([N+](=O)[O-])cc3)n2)c1 544949725 QTGFTCSAUMJAAS-UHFFFAOYSA-N 447.451 4.213 5 20 IIBD COc1cc(Cc2noc(-c3ccc4c(C)nn(-c5ccccc5)c4n3)n2)ccc1[N+](=O)[O-] 545069404 WDVODOGITXFUAU-UHFFFAOYSA-N 442.435 4.287 5 20 IIBD COCCOc1ccc(-c2noc(-c3cc(Br)cc([N+](=O)[O-])c3)n2)cc1F 547158139 BARLFGUWGOQIOZ-UHFFFAOYSA-N 438.209 4.239 5 20 IIBD Cc1c(Cc2noc(CSc3nncn3-c3cccc(Cl)c3)n2)cccc1[N+](=O)[O-] 547173943 RQXBIDVPZJGFIT-UHFFFAOYSA-N 442.888 4.403 5 20 IIBD Cc1ccnc2[nH]c(Cc3noc(-c4ccc(N5CCC[C@H](C)C5)c([N+](=O)[O-])c4)n3)nc12 547187168 VPHAJLOJFBBHOM-ZDUSSCGKSA-N 433.472 4.052 5 20 IIBD CCc1nc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCCO2)cs1 549998069 OCIZFEKAZOCPFS-SFHVURJKSA-N 442.545 4.078 5 20 IIBD CCOc1ccc(CNC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1Cl 551457258 ISBOKAGGWSAUOS-UHFFFAOYSA-N 433.892 4.199 5 20 IIBD CC(=O)N1CCN(c2ccc(C(=O)Nc3cccc(-c4ccccc4)c3)cc2[N+](=O)[O-])CC1 554025745 ZATGQVLYTSUECB-UHFFFAOYSA-N 444.491 4.183 5 20 IIBD Cc1cc(C)cc(-n2nc(NC(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)cc2C)c1 554145992 KITCQDLWZHJHPQ-UHFFFAOYSA-N 449.511 4.781 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC3(CCN(Cc4ccccc4)CC3)C2)c1 554411590 KJAKZNKZEIJHLR-UHFFFAOYSA-N 437.540 4.187 5 20 IIBD O=C(N[C@@H]1CCSc2ccc(Cl)cc21)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 557210189 PDAAALDSRIOXJQ-QGZVFWFLSA-N 445.928 4.093 5 20 IIBD Cn1c(C2CC2)nc2cc(CNC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])ccc21 559274308 AVKHGTOYURKSGJ-UHFFFAOYSA-N 430.917 4.421 5 20 IIBD COc1ccc(Cc2nc(C3(c4cccc(Br)c4)CC3)no2)cc1[N+](=O)[O-] 567012131 FLRIFNWLNJJTAD-UHFFFAOYSA-N 430.258 4.420 5 20 IIBD CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC(C(=O)Nc2ccccc2Br)CC1 571174408 SXYSVCBDDWQLMN-UHFFFAOYSA-N 446.301 4.415 5 20 IIBD CC(C)[C@@]1(CO)CCCN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 572315630 SERUOURPLQYRPC-HXOBKFHXSA-N 426.517 4.034 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NC[C@@H]2CCCSC2)cc1[N+](=O)[O-] 577911700 ZZUOVUIZXSLTKJ-AWEZNQCLSA-N 430.551 4.421 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1 589373608 MFVCPFOUAGZAOC-UHFFFAOYSA-N 432.480 4.300 5 20 IIBD O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 589679567 RZFRJBXGWROKDT-STQMWFEESA-N 438.328 4.001 5 20 IIBD COc1cc(CCNC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC 603802152 YEAOTDXGOJZDFN-KRWDZBQOSA-N 433.892 4.355 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)cc1C 604277167 RNPGDYBDGLVPED-UHFFFAOYSA-N 439.465 4.338 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 608876950 JCVQHQAAUQZWSW-GFCCVEGCSA-N 436.295 4.211 5 20 IIBD CCOc1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c2ccccc2)cc1 608937088 BGYBOAPJZYAPGE-JOCHJYFZSA-N 434.448 4.284 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(c2nc(-c3ccccc3)no2)CC1 609146259 RMGSAIDYOHZWPK-UHFFFAOYSA-N 435.484 4.161 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(Sc3nc(C)cc(C)n3)cc2)c([N+](=O)[O-])c1 609218882 UZBLKUYHCFLKSZ-UHFFFAOYSA-N 430.511 4.262 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H](C)C2CCN(C)CC2)cc1[N+](=O)[O-] 609583895 ZPGWPVZVDOWCJX-HNNXBMFYSA-N 441.553 4.008 5 20 IIBD C[C@H](CC(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1)S(=O)(=O)c1ccc(F)cc1 609859055 DSXADDLXWWVEGZ-OAHLLOKOSA-N 434.489 4.262 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(Cc1cccc(C)c1)Cc1ccccn1 610005312 PXXYGXBVUFNGGT-UHFFFAOYSA-N 425.510 4.252 5 20 IIBD C[C@H](c1ccc(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1)N1CCOCC1 610099548 VOKIKFRJRICJEB-GOSISDBHSA-N 426.517 4.132 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Oc2ccccc2)c1 610103788 CGFCTYFAMLYSNP-UHFFFAOYSA-N 433.464 4.465 5 20 IIBD CC[C@H](NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cc(F)ccc1F 610135953 AORSOMBQHCZOQS-ZDUSSCGKSA-N 435.246 4.065 5 20 IIBD COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 610159503 BLHCGHDZAJCSQE-CQSZACIVSA-N 446.887 4.123 5 20 IIBD Cc1cc(OCC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])ccc1Cl 610925169 UUAVAIRUOKBULF-SFHVURJKSA-N 434.876 4.135 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(=O)N1CC[C@@H](c2ccco2)C1 610937280 JSAQBWHHEPGFEU-CYBMUJFWSA-N 443.506 4.355 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOc2c(Br)cccc2C1 619419375 KVXPTDUCJLCCHD-HNNXBMFYSA-N 433.302 4.347 5 20 IIBD O=C(COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])c1ccc(NC(=O)c2ccccc2)cc1 725936087 SLFPTZYPMAZZOV-UHFFFAOYSA-N 440.358 4.165 5 20 IIBD O=C(Nc1ccc(OC(F)F)cc1)c1ccc(I)c([N+](=O)[O-])c1 727747742 PHDQSBQREBWEEE-UHFFFAOYSA-N 434.136 4.053 5 20 IIBD O=C(Oc1ccccc1OC(F)F)c1cc([N+](=O)[O-])ccc1I 729954850 WZJCDGNEMHGDCD-UHFFFAOYSA-N 435.120 4.020 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)c([N+](=O)[O-])c2)cc1 730108655 HUNAUUJCQAHFGT-SFHVURJKSA-N 440.500 4.259 5 20 IIBD Cn1cc(C(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(-c2ccccc2Cl)n1 731259596 DKEPNPIYLBRJAR-UHFFFAOYSA-N 449.250 4.098 5 20 IIBD CCOC(=O)C1=C(c2ccc([N+](=O)[O-])cc2)NC(=S)N[C@@H]1c1ccc2ccccc2c1 731448689 SJWLSKUWTROEHK-OAQYLSRUSA-N 433.489 4.241 5 20 IIBD O=[N+]([O-])c1ccc(NC(=S)Nc2cccc(CS(=O)(=O)c3ccccc3)c2)cc1 731940530 AEXHRMAPQDGDBL-UHFFFAOYSA-N 427.507 4.378 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCCC[C@@H]2CN2CCCC2=O)cc1[N+](=O)[O-] 732027158 YFQIBLMTJRAJMB-GOSISDBHSA-N 433.574 4.350 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@H](C)OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 733072148 LRGUAEMHHVWDTO-HNNXBMFYSA-N 439.493 4.451 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccccc1)c1ccccc1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 735354613 VLCOFFZYNPGQDL-JOCHJYFZSA-N 443.415 4.385 5 20 IIBD C[C@H](OC(=O)c1csc(Nc2ccccn2)n1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 736901447 BTAIXYOLWMQYSD-NSHDSACASA-N 438.425 4.158 5 20 IIBD COc1cc(N2CCC(OC(=O)CCOc3cc(C)ccc3C)CC2)ccc1[N+](=O)[O-] 739380154 JDYBKLGZECNJPL-UHFFFAOYSA-N 428.485 4.201 5 20 IIBD CC[C@H](C)NC(=O)[C@H](C)OC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 741828349 GAWJBRXLCZGJJY-KBPBESRZSA-N 444.509 4.008 5 20 IIBD COc1c([N+](=O)[O-])cc(NC[C@H](C)Oc2cccc(F)c2)c([N+](=O)[O-])c1Br 742419376 FKSRAUXUYCFWGO-VIFPVBQESA-N 444.213 4.293 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 745334827 ZQXDGKCPQFDQGL-HSZRJFAPSA-N 434.448 4.378 5 20 IIBD C[C@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)NCCC1=CCCCC1 747956422 GXEKHMMPCCGZQF-AWEZNQCLSA-N 429.498 4.270 5 20 IIBD C[C@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NC[C@H](C)c1ccccc1 747962209 MSLUVJGGVGYNLM-GJZGRUSLSA-N 439.493 4.184 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 748528595 DLZNBFMBSUMVAV-MOPGFXCFSA-N 449.573 4.468 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(Cc1ccccc1)C[C@H](O)c1ccco1 752775528 VMQBAFKRHZWWNM-KXBFYZLASA-N 444.871 4.371 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1cccc(S(=O)(=O)N2CCCCCC2)c1 752984799 SUJJPEOFHASZCI-UHFFFAOYSA-N 437.905 4.065 5 20 IIBD COc1cc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)ccc1OCc1c(C)noc1C 753344800 AAYPVMSLBDVTIK-UXBLZVDNSA-N 438.440 4.143 5 20 IIBD C/C(=C\C(=O)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccccc1OC(F)F 753540311 IHMBTFDAYATUMB-ACCUITESSA-N 448.378 4.141 5 20 IIBD CN(c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 754113495 KZNNCKDHVAPFMV-RDTXWAMCSA-N 444.431 4.087 5 20 IIBD CC(C)(C)O[C@H](C(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1ccccc1 754532661 BRYWKKIGSTVMPF-NRFANRHFSA-N 427.501 4.306 5 20 IIBD O=C(Nc1ccc(CC[C@H](O)c2ccccc2)cc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 754959758 QZTBCPZGZGYKLB-QHCPKHFHSA-N 443.463 4.094 5 20 IIBD C[C@@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1nc(Cc2ccccc2)no1 755026671 VOSUOJCSFPMDTG-LLVKDONJSA-N 446.261 4.214 5 20 IIBD CC(C)(C)OC(=O)N1CCC(n2cc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cn2)CC1 756238543 JUPNZDFWWGIHNZ-UHFFFAOYSA-N 449.895 4.269 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N[C@H](CCO)C1CC1 757080674 GIBYJVRQPNFWEP-BLMOFCDVSA-N 437.521 4.412 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 758002249 LHLFDDIQUAZMNX-VIFPVBQESA-N 440.243 4.151 5 20 IIBD Cc1ccc(-c2nnc([C@H](C)OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)o2)cc1C 758930229 BNLRNRGNBKBQLN-ZDUSSCGKSA-N 426.385 4.396 5 20 IIBD COc1cc(S(=O)(=O)Nc2cccc(CC[C@@H](O)c3ccccc3)c2)ccc1[N+](=O)[O-] 759165483 NZRACEAYEHNGOM-OAQYLSRUSA-N 442.493 4.070 5 20 IIBD Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 759773413 QCCJUBRWPRKLBU-IBGZPJMESA-N 445.951 4.135 5 20 IIBD O=C(O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1csc(Cc2ccccc2F)n1 759956950 ZEWOTOZCSZEJCQ-SJORKVTESA-N 430.461 4.318 5 20 IIBD CO[C@H](c1ccc(Br)cc1)c1noc(COc2ccc([N+](=O)[O-])c(F)c2)n1 762383461 APJWMURSJAILGD-MRXNPFEDSA-N 438.209 4.194 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 762621156 DOQFAGPAVLUYPF-LSDHHAIUSA-N 437.512 4.163 5 20 IIBD COc1cc(CN2CCC(N(CC3CC3)C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])cc1F 766795143 AUPLVANZMZPSGI-UHFFFAOYSA-N 437.512 4.354 5 20 IIBD CC[C@H](C)CS(=O)(=O)Oc1ccc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1OC 767231200 SOVOPEJINKAHJY-HNAYVOBHSA-N 446.525 4.340 5 20 IIBD CC(=O)[C@@H](Cc1ccc(F)c(F)c1F)OC(=O)c1ccc(Br)cc1[N+](=O)[O-] 768747018 NKMYXLLNBRZCJS-CQSZACIVSA-N 446.175 4.132 5 20 IIBD COc1ccc(-c2ccc(C(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)c(F)c2)c(F)c1 769600415 HILMBIDYDKIYRJ-UHFFFAOYSA-N 438.390 4.355 5 20 IIBD O=C(OCc1ccc(-c2cccs2)cc1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 769673496 RAUKMKLKRBDANP-UHFFFAOYSA-N 436.445 4.334 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C1CCN(C(=O)c3cccc4ccccc34)CC1)CC2 773990230 QYMLYPMRIQELHZ-UHFFFAOYSA-N 443.503 4.498 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(Cn2ccnc2[C@H](O)c2ccccc2)cc1OC 777523464 NNGUINFKEDCDPD-KSFYIVLOSA-N 425.485 4.355 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3nc(C4CC4)sc3c2)cc1[N+](=O)[O-] 777618426 HSSMYTAYNZUYIU-UHFFFAOYSA-N 448.482 4.061 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)c2csc3ccccc23)cc1[N+](=O)[O-] 777936162 BXIUSUBEKHHACH-LLVKDONJSA-N 435.483 4.027 5 20 IIBD CCc1ccccc1N(C(C)=O)c1nc(COC(=O)c2c(N)cccc2[N+](=O)[O-])cs1 778146355 XMSTVVFDPPKQCK-UHFFFAOYSA-N 440.481 4.238 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21 778261188 GQROOZBNXPCMOV-SFHVURJKSA-N 443.504 4.031 5 20 IIBD CC(C)(C)n1ncc(C(=O)O[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3F)C2)c1C(F)(F)F 778801882 SGOGYBLLQKDOTD-GFCCVEGCSA-N 444.385 4.140 5 20 IIBD COc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nc1Br 781559020 DKRCSCOKUOPEMW-UHFFFAOYSA-N 435.259 4.137 5 20 IIBD CCOc1ccc(Br)cc1NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781632498 XZGQLZVDRNCURH-UHFFFAOYSA-N 438.234 4.236 5 20 IIBD CC[C@@H]1C[C@@H](CC(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)CCO1 781952363 UFQODPNNJBBHKN-HFSMHLIXSA-N 432.517 4.118 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 783111468 SESMKRUGHMNVAR-UHFFFAOYSA-N 428.445 4.136 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 784448354 RULQOASQYROSSZ-ZDUSSCGKSA-N 432.395 4.239 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccnc(Oc2ccc(F)cc2F)c1 789044531 QBPFUVYYZROOKT-UHFFFAOYSA-N 443.362 4.164 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1ccc(N(C)C(=O)c2ccncc2)cc1 789442048 XRSHYUYPTDBGEV-UHFFFAOYSA-N 433.468 4.205 5 20 IIBD O=C1CSc2ccc(NC(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)cc2N1CC(F)F 791372469 UQSVQNFBVWLZAH-UHFFFAOYSA-N 443.378 4.029 5 20 IIBD CC(C)(C)OC(=O)NCCc1nc(C(=O)OCc2ccc(Cl)c([N+](=O)[O-])c2)cs1 795902310 SLCJVEQCXNYVSX-UHFFFAOYSA-N 441.893 4.129 5 20 IIBD COc1ccc(F)c2[nH]c(C(=O)O[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc12 796200002 HIQNUMSYJVKABO-VIFPVBQESA-N 435.795 4.061 5 20 IIBD O=C(Nc1ccc(-c2ccc(Br)s2)nn1)c1cc(F)c([N+](=O)[O-])cc1F 797322543 IAWYSQZYXKAYFG-UHFFFAOYSA-N 441.213 4.406 5 20 IIBD CC(C)(C)OC(=O)N1CCC(c2csc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)n2)CC1 808244500 COQRNHIOKNZNQJ-UHFFFAOYSA-N 446.529 4.347 5 20 IIBD CN(C(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1)c1ccc([N+](=O)[O-])nc1 808794203 CPAXMIBKLKPKBU-UHFFFAOYSA-N 440.500 4.220 5 20 IIBD O=C(NC[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1)Nc1cccc([N+](=O)[O-])c1Cl 809920174 UEMYSTCZBIFWJL-LBPRGKRZSA-N 447.797 4.120 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 809920622 XLWLSDUBDVAHND-UHFFFAOYSA-N 441.246 4.031 5 20 IIBD COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813249507 NIGIZUAUZMHYGR-FZMZJTMJSA-N 425.268 4.052 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NCCC(=O)Nc2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-] 814934848 CLNOFWGTZNBJJF-UHFFFAOYSA-N 443.243 4.051 5 20 IIBD O=C(COC(=O)c1cnn(-c2ccccc2)c1C1CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 913337133 UOCZRELNVUSKJM-UHFFFAOYSA-N 440.843 4.107 5 20 IIBD O=C(COC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)Nc1ccc(OC(F)F)c(Cl)c1 917263816 RQHFZCDVGPMDNZ-UHFFFAOYSA-N 440.742 4.391 5 20 IIBD Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)C2)c1 917983540 IYIKJSWIVVZIBY-INIZCTEOSA-N 444.919 4.459 5 20 IIBD CC(C)N(Cc1cccc(Br)c1)Cn1cc(Br)c([N+](=O)[O-])n1 919953731 AEUKCNFCRPCVKW-UHFFFAOYSA-N 432.116 4.184 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCN(c2cccc(Br)c2)C1 919995603 LCKOZUBCEIEACO-HWYHOQROSA-N 430.302 4.013 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1 920854495 MLBUDRMZTROZLP-SFHVURJKSA-N 441.440 4.053 5 20 IIBD COCCCC[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1N)c1ccccc1 1116948257 ZJWOUBPUOYBTBP-INIZCTEOSA-N 436.306 4.227 5 20 IIBD CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 1318170128 JXDADYSVYCTWAP-UHFFFAOYSA-N 425.441 4.296 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 1319547800 DTNKHXWZBVDAFS-UHFFFAOYSA-N 440.500 4.252 5 20 IIBD COc1cc(-c2nnc(-c3csc(-c4ccc([N+](=O)[O-])cc4)n3)o2)cc(OC)c1OC 1331862428 WZKHKXZVHUYIDG-UHFFFAOYSA-N 440.437 4.461 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCC[C@H]4C)CCC3)cc2)ncc1[N+](=O)[O-] 1788766340 HHRWUBAITLQGQA-DNVCBOLYSA-N 436.512 4.482 5 20 IIBD Cc1ccc2cc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3ccc([N+](=O)[O-])[nH]3)C4)sc2c1 1801084494 GGMYLDJVXRQXRV-MUJYYYPQSA-N 438.509 4.012 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cc([C@@H]2CCCCN2C(=O)C2=CCCC2)[nH]n1 1815537848 WHBJEZDYGMNJBO-FQEVSTJZSA-N 437.500 4.053 5 20 IIBD CC(C)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])[nH]n1 1816770043 BOTKPBBRIWRJIQ-GNISGLHKSA-N 425.489 4.070 5 20 IIBD CC(C)=CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C)c([N+](=O)[O-])cn2)[nH]n1 1820804884 URBBBWYLSUGMOI-GOSISDBHSA-N 440.504 4.074 5 20 IIBD O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC([C@@H]2CCCCN2C(=O)C2CCCCC2)CC1 1826282668 QGJMPVJCPZRBTM-QFIPXVFZSA-N 443.544 4.114 5 20 IIBD CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)CC1 1826393642 LLWXFRLXBHGPLC-JOCHJYFZSA-N 441.572 4.436 5 20 IIBD Cc1cccc(C)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 1830641636 LGGYLMNAJCXNGK-HXUWFJFHSA-N 438.528 4.087 5 20 IIBD C/C=C(\C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1831339297 QSCGTFOLOZSQAO-ZGCPUTISSA-N 427.545 4.113 5 20 IIBD CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3cc(F)ccc3[N+](=O)[O-])CC2)CCC1 1832885568 QRZIYIVYJUROEH-FQEVSTJZSA-N 445.535 4.086 5 20 IIBD CCCCC[C@@H](C)C(=O)N1CC2(CCCN2C(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)C1 1845143868 UGRPKYVWYKFHAK-LJQANCHMSA-N 441.572 4.436 5 20 IIBD Cc1ccc(C(=O)CCC(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 8930190 HCFCJIXQBHXKGA-UHFFFAOYSA-N 438.358 4.067 5 20 IIBD Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)[nH]n2)cc1 11494270 ASMCBHMALPFNSF-LBPRGKRZSA-N 428.832 4.131 5 20 IIBD C[C@H](Sc1nnc(NCc2ccc(F)cc2)s1)C(=O)Nc1ccccc1[N+](=O)[O-] 16335588 DZVUEJWLHARXIG-NSHDSACASA-N 433.490 4.317 5 20 IIBD Cc1cccc(-c2nc(CC(=O)O[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])cs2)c1 17229840 GTARMDTZZXUSGX-CQSZACIVSA-N 425.466 4.140 5 20 IIBD Cc1c(-c2ccccc2)sc2ncn(Cc3cc([N+](=O)[O-])cc4c3OCOC4)c(=O)c12 17480588 MIMOIFFMTFPIKM-UHFFFAOYSA-N 435.461 4.256 5 20 IIBD CCc1nc2ccc(C(=O)OCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc2nc1CC 22041608 GUZDRDYVUTWEEG-UHFFFAOYSA-N 442.859 4.112 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 22414683 IPXPNVNRPVRXLM-JTQLQIEISA-N 427.240 4.403 5 20 IIBD Cc1nc(CC(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cs1 22520607 VRQVWRMDPFHESN-IBGZPJMESA-N 445.884 4.479 5 20 IIBD COc1ccc(OCCN(C)C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1 23647570 YOSXEPLYESWWMD-UHFFFAOYSA-N 435.480 4.367 5 20 IIBD CCOCCCN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 23994540 GJANAZULPBKKKQ-GOSISDBHSA-N 436.306 4.053 5 20 IIBD O=C(OCC(=O)N1CCc2[nH]c3ccccc3c2C1)c1cc2cc([N+](=O)[O-])ccc2s1 25374770 NOQGFXCGMFRRAU-UHFFFAOYSA-N 435.461 4.033 5 20 IIBD O=c1c2cc(-c3ccccc3)sc2ncn1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 31836731 KFVNHAHNNUYEGC-UHFFFAOYSA-N 431.433 4.132 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CCO3)c1 60416725 RURSFYZYVJYGLL-UHFFFAOYSA-N 441.484 4.082 5 20 IIBD CCOc1ccc(C(F)(F)F)cc1N[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 63642023 SVDBIYLQVZOCFW-NSHDSACASA-N 427.379 4.460 5 20 IIBD COC(=O)c1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)ccc1OC 107762249 FSPQTMMQWHGFJU-UHFFFAOYSA-N 436.420 4.112 5 20 IIBD O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 216805820 YHDQLKYDYVDOPG-UHFFFAOYSA-N 431.473 4.328 5 20 IIBD COc1ccc(-c2ccc(CN[C@H](CN3CCCC3=O)c3ccccc3)o2)c([N+](=O)[O-])c1 237426296 RDDIXXLZZSUGGZ-OAQYLSRUSA-N 435.480 4.317 5 20 IIBD CN1CCN(c2ccc(CNc3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])cn2)CC1 301067434 FZJFUFCRYPWENK-UHFFFAOYSA-N 429.830 4.026 5 20 IIBD CCc1cc(N2CCC[C@H](c3nnc4n3CCCCC4)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 301079726 JOENZNXLWLGGAN-SFHVURJKSA-N 447.543 4.316 5 20 IIBD COc1ccccc1[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)N1CCCC1 301632560 AZHRIPDOHJEQLN-SFHVURJKSA-N 425.510 4.385 5 20 IIBD Cc1cc(N2CCc3c(cccc3N3CCOC3=O)C2)c(Br)cc1[N+](=O)[O-] 302673869 LTZBHUWNWHWYIF-UHFFFAOYSA-N 432.274 4.185 5 20 IIBD Cc1ccnc([C@H](Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])C2CC2)n1 302824493 LTCYCYSANCHJFY-HXUWFJFHSA-N 439.497 4.057 5 20 IIBD O=C(c1ccccc1OCc1ccc(F)cc1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 303714891 QQZXXKKIWOOCIZ-SFHVURJKSA-N 436.443 4.035 5 20 IIBD CN1Cc2cc(NC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])ccc2NC1=O 427202624 CQUWYTPFUNEDOP-UHFFFAOYSA-N 432.436 4.403 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 427486416 HLKJBXSACNHHSP-CYBMUJFWSA-N 438.509 4.204 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 427808007 WCDBHRCQFMUCHD-GFCCVEGCSA-N 441.962 4.152 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)Nc1cc(Cl)ccc1Cl 427860414 QJXHYTQIBRATCV-UHFFFAOYSA-N 436.173 4.175 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccc(Oc2ccccc2F)nc1 428033232 MDIHAEUADGOEQV-UHFFFAOYSA-N 434.383 4.487 5 20 IIBD COc1cc(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c([N+](=O)[O-])cc1OC 435448214 UEMIDVXOTSJCQC-SNVBAGLBSA-N 445.419 4.107 5 20 IIBD O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 435934174 ICWJZJGHYBHEFG-UHFFFAOYSA-N 447.441 4.448 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1nc(-c2cccnc2)no1 436357758 JIPLNRMXIJIRTP-OAQYLSRUSA-N 439.475 4.253 5 20 IIBD CCC(C)(C)OCc1ccccc1NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 437069255 NWWZHWOKJYYDNH-UHFFFAOYSA-N 439.512 4.430 5 20 IIBD CC(C)NC(=O)Nc1ccccc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 438815131 QBMUHONYYKISJX-UHFFFAOYSA-N 447.300 4.232 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1ccccc1Cl)C1CCCC1 439621965 YHFMOIPWEHGNFL-UHFFFAOYSA-N 431.876 4.167 5 20 IIBD CC1CCC(N2CCN(C(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)CC2)CC1 444027371 CHELFNMLVVXCSH-UHFFFAOYSA-N 439.506 4.296 5 20 IIBD C[C@H](O)C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccccc1 444229736 WHUZBHZIPYWYAV-HOCLYGCPSA-N 436.458 4.244 5 20 IIBD C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444285916 IACPJRWPDRJRRU-HNNXBMFYSA-N 435.474 4.210 5 20 IIBD Cc1nn(Cc2ccc(-c3nc(-c4c(C)nc5sccn45)no3)cc2)c(C)c1[N+](=O)[O-] 445623777 MEOWRJVUPUEJHY-UHFFFAOYSA-N 435.469 4.191 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)cc1 462576524 UNIIGVOVXPOGNX-UHFFFAOYSA-N 445.324 4.275 5 20 IIBD CC1(C)[C@H]2OCCC[C@@H]2[C@H]1Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 462916259 ZRPJNSNEEUNJPA-AHRSYUTCSA-N 431.514 4.011 5 20 IIBD COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1Nc1ccccc1 466325596 NLWHRMLSOLMOPN-UHFFFAOYSA-N 445.428 4.065 5 20 IIBD O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1 466538198 AUZLJCBHJHBQCS-AWEZNQCLSA-N 429.267 4.022 5 20 IIBD Cc1sc(S(=O)(=O)N2CCCCC[C@@H]2CC(=O)c2cccs2)cc1[N+](=O)[O-] 467062584 GFNSIDRBGJNSLG-CYBMUJFWSA-N 428.557 4.233 5 20 IIBD COc1ccc([C@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)c2cccc(S(C)(=O)=O)c2)cc1 467854112 UWABUIAFWNEBRY-MWTRTKDXSA-N 440.521 4.447 5 20 IIBD CC(C)Oc1ccc(-c2cccc([C@H](C)N(C)C[C@H](O)Cn3cc([N+](=O)[O-])cn3)c2)cc1 470158708 MSHAQHOQQUFYPF-MBSDFSHPSA-N 438.528 4.299 5 20 IIBD C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1cc2cccc(F)c2o1 475757186 QRBPPABWYFVDFK-BXUZGUMPSA-N 431.445 4.024 5 20 IIBD Cc1c(Cl)cccc1NC(=O)COc1ccc(I)cc1[N+](=O)[O-] 479161732 KUJGLLPOWUBZDX-UHFFFAOYSA-N 446.628 4.179 5 20 IIBD CCc1ccc([C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3SCCOC)CCO2)cc1 482052842 DZBQRCWCCYYXEI-HXUWFJFHSA-N 430.526 4.109 5 20 IIBD COc1cc(C(=O)N(C)c2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])cc1OC(F)F 483898353 SJSJNVNWALGEIP-UHFFFAOYSA-N 436.289 4.380 5 20 IIBD CCCOc1ccc(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c(C)c1 485070969 FHMHBVUFJOXQNG-UHFFFAOYSA-N 429.292 4.255 5 20 IIBD COc1ccccc1CN(C)C(=O)CSc1ccc(Br)cc1[N+](=O)[O-] 485278750 YTBARUDJKYEMKE-UHFFFAOYSA-N 425.304 4.117 5 20 IIBD CN(Cc1ccco1)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 485661223 GOJLCSMPPMNQFS-UHFFFAOYSA-N 445.422 4.351 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(NC(=O)CC(C)C)c(C)c2)c(C)c([N+](=O)[O-])c1 485948198 BMPINAZAVUKQHW-UHFFFAOYSA-N 427.457 4.235 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1Br 486151138 UQVGTPPCOOLXBZ-VIFPVBQESA-N 429.654 4.425 5 20 IIBD CN(C)c1nc2sc(C(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)cc2s1 486748880 NRRHWIMWRSZREB-UHFFFAOYSA-N 430.433 4.281 5 20 IIBD C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1 487678702 WPGWJOBIJFLUHB-CYBMUJFWSA-N 433.411 4.463 5 20 IIBD CCC(C)(C)OCc1cccc(NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)c1C 488854895 NHLFXRGSOJMLRL-INIZCTEOSA-N 427.501 4.365 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)NCCCCCc2ccc(F)cc2)cc1[N+](=O)[O-] 490466292 ZUDGWYCOGIHKPV-UHFFFAOYSA-N 443.504 4.156 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)cc1[N+](=O)[O-] 491577887 AXRKTUSBSFOFEC-UHFFFAOYSA-N 440.403 4.217 5 20 IIBD CCOC(=O)[C@H]1CCCc2sc(NC(=O)c3cc([N+](=O)[O-])ccc3SCC)nc21 493410128 PNKKVXAJOFSGPO-LBPRGKRZSA-N 435.527 4.399 5 20 IIBD Cc1cccc(C2(CNC(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)CCCCC2)c1 494729391 QGUDFXRQJLTBFT-UHFFFAOYSA-N 425.533 4.348 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N(CCN(C)C)C3CCCC3)cc2[N+](=O)[O-])n1 498450532 CPACANQZWDPQSC-UHFFFAOYSA-N 434.587 4.457 5 20 IIBD O=C(Nc1ccnc(OCc2ccccc2)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 501706830 DHKYXNHFFXRUFE-UHFFFAOYSA-N 432.480 4.424 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc(-c3nc4c(F)cccc4[nH]3)cc2)cc([N+](=O)[O-])c1 502511038 LCFUKUTZJWCSCW-UHFFFAOYSA-N 434.383 4.316 5 20 IIBD C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccncc2)cc1 504232958 QSMLDOGSWFIIHU-OAHLLOKOSA-N 436.493 4.212 5 20 IIBD COc1cc(CCNC(=O)N[C@@]2(c3ccc(Cl)cc3)C[C@H]2C)c([N+](=O)[O-])cc1OC 507063288 OQOYCKPJKKMWFY-ASSNKEHSSA-N 433.892 4.042 5 20 IIBD CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]2CCCC[C@H]21 513073998 FQVCAOKZMBWGDJ-TZOBPFOUSA-N 445.560 4.145 5 20 IIBD O=C(Nc1ccccc1C(=O)N1CCCC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 514432068 YCEQSLKIDHJIBP-UHFFFAOYSA-N 437.374 4.024 5 20 IIBD Cc1cc(I)ccc1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 514518416 HFLLXYMCQAUCDU-GFCCVEGCSA-N 439.253 4.255 5 20 IIBD CC(C)N1C(=O)N(Cc2cccc([N+](=O)[O-])c2)C(=O)[C@H]1c1ccc(Br)cc1 516839098 GLNGXMLOGMLTKC-QGZVFWFLSA-N 432.274 4.271 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Sc2nccn2C)cc1[N+](=O)[O-] 517488984 DXCOPKJSIFHSAX-UHFFFAOYSA-N 438.918 4.242 5 20 IIBD Cc1cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)n(-c2ccccc2F)n1 519075086 LSYCMKNKTLVFRP-UHFFFAOYSA-N 426.451 4.427 5 20 IIBD Cn1cc(C(=O)NCc2ccc(Br)cc2Cl)c(-c2ccc([N+](=O)[O-])cc2)n1 520012632 MWNJHTLCKJBRPL-UHFFFAOYSA-N 449.692 4.341 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)c([N+](=O)[O-])c1 522360847 WNHXODWHHSNUTG-MUUNZHRXSA-N 430.507 4.012 5 20 IIBD COc1ccc(CC[C@@H]2CCCCN2S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1OC 523541354 PCBUUCFDYMAVDZ-SFHVURJKSA-N 448.541 4.096 5 20 IIBD COc1cc(C(=O)Nc2ccc(-c3nc4ccccc4n3C)cc2)cc([N+](=O)[O-])c1OC 525243410 VXQTWGIYRUMLDY-UHFFFAOYSA-N 432.436 4.418 5 20 IIBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)Nc1cccc(CSC2CCCC2)c1 525392599 CVNAKFHUUGFRQN-UHFFFAOYSA-N 441.509 4.135 5 20 IIBD O=C(N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1(c2ccc(Cl)c(Cl)c2)CCC1 530910352 UGDBXXBZLCGPQA-UHFFFAOYSA-N 435.311 4.067 5 20 IIBD Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 531574617 QPFAWKJTHXQMMD-GOSISDBHSA-N 438.532 4.031 5 20 IIBD O=C(O)[C@H]1CCN(C(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C1 532676628 RPHPDGCXOAVNQA-KFXIKWRMSA-N 437.477 4.068 5 20 IIBD CN1CC[C@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 534265270 RPVJNJSUNGSPEK-VLIAUNLRSA-N 430.867 4.291 5 20 IIBD CCc1nc(-c2ccccc2NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)n[nH]1 534464021 RZCLLPJVEBNKPZ-UHFFFAOYSA-N 434.500 4.431 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C)c(-c2ncco2)c1 536479478 CLUJCHCKHYSFNV-UHFFFAOYSA-N 441.465 4.466 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C3)cs1 537897669 YXNOPBJRMVNYJY-LBPRGKRZSA-N 428.539 4.474 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 538244971 XYDKDKPGKNMLDA-MJGOQNOKSA-N 436.917 4.247 5 20 IIBD COc1cc(CN2CC[C@H]3[C@H](CCCN3C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 539899870 XYUZOULNYPOBOC-CTNGQTDRSA-N 425.529 4.099 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)cc1OCC(F)F 540272801 NKXQGMGWWVGIHQ-UHFFFAOYSA-N 430.404 4.369 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N(C)C[C@H](C)c2nccs2)c([N+](=O)[O-])c1 543186911 WBNBHEFAWTZWMP-AWEZNQCLSA-N 439.493 4.309 5 20 IIBD CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 544490726 UUSNVAALZKKPMN-KDOFPFPSSA-N 437.265 4.489 5 20 IIBD CCO[C@@H]1C[C@H](NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@]12CCCO2 544709802 JSBPUOCSDXKTPE-JBRSBNLGSA-N 448.523 4.264 5 20 IIBD O=C(c1ccccc1)N(Cc1noc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1)C1CC1 545730731 XRRIXDVRPVRMGO-UHFFFAOYSA-N 433.468 4.050 5 20 IIBD CS(=O)(=O)C1(c2nc(-c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3)no2)CCCC1 546493291 JMFFSRKRLBZTNS-UHFFFAOYSA-N 429.454 4.251 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])N1CCC(Oc2cccc(Br)c2)CC1 546760154 LJAWPYAOIYBDLS-UHFFFAOYSA-N 434.290 4.110 5 20 IIBD Cc1cc(-c2noc([C@@H](C)NC(=O)N(C)CCc3ccccc3[N+](=O)[O-])n2)ccc1F 553632371 IEHWKNDGLCTOQU-CQSZACIVSA-N 427.436 4.037 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@@H](CC(C)(C)C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 554668708 ZWJHQOQLSVHVIL-INIZCTEOSA-N 433.892 4.489 5 20 IIBD C[C@@H](C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1)c1cccc([N+](=O)[O-])c1 558690391 DTDYNCYZNFFFGN-CABCVRRESA-N 432.318 4.104 5 20 IIBD O=C(NCCn1cc(Br)cn1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 561343648 RWVZEGJAHCUMGV-UHFFFAOYSA-N 447.314 4.135 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 563269159 SLXYWIDUQCYBPK-HSZRJFAPSA-N 425.554 4.445 5 20 IIBD CN1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@@H]1c1cccs1 573867751 IFJJMQJVVDMKDO-YVEFUNNKSA-N 427.448 4.488 5 20 IIBD Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 580850462 QHXOPRKMSVVNKE-LLVKDONJSA-N 430.814 4.329 5 20 IIBD COC(=O)c1scc(-c2ccc(C)cc2)c1NC(=O)COc1ccc([N+](=O)[O-])cc1 581156520 USNQRNLSBREOTF-UHFFFAOYSA-N 426.450 4.436 5 20 IIBD Cn1ccnc1[C@H](NCc1ccc(OCc2ccccn2)cc1)c1cccc([N+](=O)[O-])c1 582018887 IYXDABFYXFYAEQ-HSZRJFAPSA-N 429.480 4.182 5 20 IIBD O=C(NCc1noc(-c2cccs2)n1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 583600185 POWVDZSMQQKGOX-UHFFFAOYSA-N 436.449 4.215 5 20 IIBD CN(C)c1cccnc1CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 583665076 FSESHNDLWWDGHB-UHFFFAOYSA-N 439.903 4.251 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 583770828 YFQRXLMKCRBAMN-CYBMUJFWSA-N 447.479 4.160 5 20 IIBD CCOC(=O)c1sc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)nc1C(F)(F)F 583907165 UCOZUDLYLZHEAS-UHFFFAOYSA-N 444.391 4.073 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N2CCC(c3noc4cc(F)ccc34)CC2)c([N+](=O)[O-])c1 589278805 RWBXSXDWWUAZFA-ZDUSSCGKSA-N 442.447 4.090 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 590551787 XMAVHBVJUVJEBD-UHFFFAOYSA-N 431.495 4.326 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(Sc3n[nH]c(C4CC4)n3)c([N+](=O)[O-])c2)c(C)c1 591654565 GHLHBNPMYCLYQE-UHFFFAOYSA-N 445.526 4.159 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCCc3nc(C)cs3)c([N+](=O)[O-])c2)c(C)c1 603627509 KGWVMDSGFJDWRS-UHFFFAOYSA-N 446.554 4.432 5 20 IIBD COc1cc(CCNC(=O)N(C)Cc2csc3ccccc23)c([N+](=O)[O-])cc1OC 603802160 YNDUKYCGSVVXBE-UHFFFAOYSA-N 429.498 4.211 5 20 IIBD CCOC(=O)CN(C)C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 609167647 BASHDUYEPGBWJG-VBKFSLOCSA-N 439.493 4.157 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)cc1 609198259 DHPAVXQNUJQQAZ-QGZVFWFLSA-N 433.486 4.213 5 20 IIBD Cc1c(C(=O)Nc2nc(/C=C/c3ccccc3)cs2)nnn1-c1cccc([N+](=O)[O-])c1 609757253 PIGFLCOSISGUOH-ZHACJKMWSA-N 432.465 4.363 5 20 IIBD CCN(Cc1ccccc1)C(=O)[C@H](C)SCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 609770713 KWFCFQQAJVVRHM-INIZCTEOSA-N 443.525 4.063 5 20 IIBD COc1ccc(CSCC(=O)N2CCC[C@H]2c2cccc(N(C)C)c2)cc1[N+](=O)[O-] 609794630 XLIADDIQJUQZII-IBGZPJMESA-N 429.542 4.266 5 20 IIBD Cc1cc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)ccc1OCCN1CCCC1 609887104 PJAMDQZYYRWACA-UHFFFAOYSA-N 449.511 4.031 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCCC[C@@H]3c3noc(C4CC4)n3)cc2[N+](=O)[O-])CC1 609974993 JEJWMGJZRARNGD-LJQANCHMSA-N 439.516 4.459 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)N1CCO[C@@H]([C@H]2CCCO2)C1 610687622 POXAGZITNFNRLX-RTBURBONSA-N 448.928 4.419 5 20 IIBD CC[C@H](NCc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(I)cc1 610805689 UBSTXQGDGRRFEM-HNNXBMFYSA-N 426.254 4.449 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC[C@H](C[C@@H]4CCOC4)C3)cc2[N+](=O)[O-])C1 611356263 XBRNZMAMBIZREI-WCIQWLHISA-N 429.561 4.356 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@H](Cn2cnc3ccccc32)C1 619544428 JTPBHFNZQDEEKO-AWEZNQCLSA-N 443.301 4.259 5 20 IIBD CCCN(C(=O)c1ccc(-n2ncc(C(=O)OCC)c2C)cc1)c1cccc([N+](=O)[O-])c1 619663098 NPQQCXVJAKOEJT-UHFFFAOYSA-N 436.468 4.322 5 20 IIBD CC(C)[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)N1C[C@H](C)C[C@@H](C)C1 725985398 IAKAQAZALHTGAU-PBFPGSCMSA-N 441.322 4.043 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N(CC[C@H]2C[C@H]3CC[C@H]2C3)C2CC2)cc1[N+](=O)[O-] 726779460 MGOLSXQUBARQKY-JYJNAYRXSA-N 441.557 4.305 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@@H]32)cc1SC 728462717 RNHJZQFGISCQBH-WMZOPIPTSA-N 427.526 4.082 5 20 IIBD COc1cc(COC(=O)c2[nH]c(-c3ccccc3)nc2C)c([N+](=O)[O-])cc1OC(F)F 728728588 YQBBBUUOOXXHDG-UHFFFAOYSA-N 433.367 4.260 5 20 IIBD Cc1c(C(=O)OC[C@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])oc2ccc(F)cc12 730702607 CQHNIPQGHCAEMS-OAHLLOKOSA-N 426.400 4.250 5 20 IIBD COc1ccc(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)c(Cl)c1 731001874 NFAAHZKMZKCPLD-MRXNPFEDSA-N 446.887 4.499 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 731054508 FSVBSFXZRCHWSV-RBZFPXEDSA-N 436.867 4.127 5 20 IIBD Cc1cc(C(=O)COC(=O)c2cc(F)cc([N+](=O)[O-])c2)c(C)n1Cc1ccc(F)cc1 731529329 WZKSTCUMOBACOG-UHFFFAOYSA-N 428.391 4.379 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 733455888 INDAACLFKWFORO-MRXNPFEDSA-N 433.342 4.057 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1COC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 733475278 ZXIVZLPRHPGGCT-HNNXBMFYSA-N 433.486 4.275 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccccc2CN(C)C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] 734740449 PEVGUPVCLCUHEI-UHFFFAOYSA-N 435.502 4.071 5 20 IIBD O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])C1CCN(C(=O)/C=C/c2ccccc2)CC1 734883360 LHUYMTFZKCZXLL-RMKNXTFCSA-N 428.872 4.243 5 20 IIBD O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 737962339 FXNNMJFXENZBKH-KRWDZBQOSA-N 425.460 4.069 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](COC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 740585300 YOKQHZZWYLVFBW-CYBMUJFWSA-N 433.486 4.132 5 20 IIBD CC(C)(C)OC(=O)NC1(c2noc(-c3ccc([N+](=O)[O-])cc3Br)n2)CCC1 740617450 VJJBBGOCQWDYJH-UHFFFAOYSA-N 439.266 4.311 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 743267305 PCBOXWOZBHGRGE-AWEZNQCLSA-N 435.502 4.290 5 20 IIBD O=C(Nc1cc(F)c(F)cc1I)c1cc(F)c(F)cc1[N+](=O)[O-] 744380869 AUPPMFRMIXBYEI-UHFFFAOYSA-N 440.090 4.008 5 20 IIBD CC(C)CO[C@@H](C)c1noc(COC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)n1 744462966 UONKCBREMCCFNS-INIZCTEOSA-N 446.504 4.305 5 20 IIBD COc1ccc(OCCOC(=O)Cc2csc(-c3cccc(F)c3)n2)c([N+](=O)[O-])c1 744512768 MFSUEHVFAKBGAD-UHFFFAOYSA-N 432.429 4.031 5 20 IIBD COc1ccccc1[C@H](C)NC(=O)[C@H](C)OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 745565687 WFQXMAJZIKGRRI-RYUDHWBXSA-N 440.374 4.045 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCc1ccc(Oc2ccc(F)cc2)nc1 746716422 NVPVCYBCYXJMAO-UHFFFAOYSA-N 442.359 4.228 5 20 IIBD CN(C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)OC(C)(C)C 746876405 DLQANUHYZJHWTG-CQSZACIVSA-N 431.411 4.085 5 20 IIBD CCN(Cc1cccc(Br)c1)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O 747076618 MLGRELHPKZDTCE-UHFFFAOYSA-N 443.301 4.061 5 20 IIBD Cc1c(C(=O)OCc2nn(-c3ccccc3)c3c2CCC3)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748942463 BDVCEFLNMYVHLA-UHFFFAOYSA-N 436.424 4.151 5 20 IIBD O=C(Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1)c1cc(Cl)ccc1[N+](=O)[O-] 749828887 UMGNLSVURDBCKP-UHFFFAOYSA-N 448.870 4.397 5 20 IIBD COc1cc(-c2noc(COC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)ccc1C 750034302 FAMJKBTXHXNAGD-UHFFFAOYSA-N 437.330 4.338 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(Cc3nc(C(F)(F)F)cs3)CC2)c(C(F)(F)F)c1 751979209 KNVQKODZMPWACT-UHFFFAOYSA-N 440.369 4.411 5 20 IIBD NC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c(Cl)cc1Cl 752980392 UMCQLSWHUDWAAJ-UHFFFAOYSA-N 437.283 4.243 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1)N1CC[C@@]2(CCOC2)C1 757012642 IMRQLUGVRODRQQ-AREMUKBSSA-N 449.551 4.307 5 20 IIBD O=C(OCC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)c1ccc(F)cc1[N+](=O)[O-] 758114630 OZUPHHJGMKICBN-UHFFFAOYSA-N 440.349 4.101 5 20 IIBD CC(=O)c1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 758405457 STHAYXINNXPALT-UHFFFAOYSA-N 438.870 4.342 5 20 IIBD CCOC(=O)c1nc(-c2ccccc2)oc1COC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 763719345 ZVBWHGPWLCQARR-UHFFFAOYSA-N 430.800 4.437 5 20 IIBD Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1SCCO 763745904 YIBWGQKXIOSHCR-OAHLLOKOSA-N 446.525 4.295 5 20 IIBD C[C@@H](OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(=O)Nc1cc(Cl)ccc1Cl 763871658 YAJFNXHTFMILPW-LLVKDONJSA-N 449.250 4.271 5 20 IIBD CC(C)(C)OC(=O)NC1CCC(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 764414303 OSPWOVXFNMPSEU-UHFFFAOYSA-N 432.521 4.105 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(C)CCN(C(=O)OC(C)(C)C)CC1 765111667 WBYDEAZAIMKGCM-GOSISDBHSA-N 433.549 4.317 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](c1cccc(F)c1)c1ccccn1 765745468 RNUQCLBOZUPUPU-IBGZPJMESA-N 435.864 4.159 5 20 IIBD O=C(Oc1c(Cl)cc(Cl)cc1Cl)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 766320136 PGBBDWZZYCOPCY-UHFFFAOYSA-N 443.626 4.428 5 20 IIBD COC(=O)CC(C)(C)C(=O)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 769133606 HYIBAISHWTZDNE-SFHVURJKSA-N 448.859 4.061 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl 770859226 VLZDGXLDFPAOML-UHFFFAOYSA-N 444.181 4.075 5 20 IIBD Cc1sc(CCNC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)nc1-c1ccccc1 771509745 KQSXDIUNTYTZKT-UHFFFAOYSA-N 425.495 4.004 5 20 IIBD CC(C)(C)OC(=O)N[C@H](CC(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 773239697 LRHBRTVGEFGHJH-MRXNPFEDSA-N 441.440 4.435 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1c(C)c3cc(Br)ccc3oc1=O)CC2 774219974 STSILXVUZSXNGC-UHFFFAOYSA-N 443.253 4.283 5 20 IIBD COC[C@H](OC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1nccs1 774679258 YHTVGZBSUDFCDQ-ACJLOTCBSA-N 428.470 4.164 5 20 IIBD Cc1ccc(C)n1-c1c(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cnn1C 775495636 OCBUGQMXMIPLGX-UHFFFAOYSA-N 436.497 4.136 5 20 IIBD CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(Cl)c1[N+](=O)[O-] 777233192 FYMKSQSVSWNBMG-SJPCQFCGSA-N 427.888 4.156 5 20 IIBD COc1ccccc1[C@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)N1CCCCC1 778248148 SHOOTRDYCBALDB-IBGZPJMESA-N 433.455 4.039 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1 780444975 HEDRCFDOAQTSQC-MRXNPFEDSA-N 444.431 4.459 5 20 IIBD Cc1c(CC(=O)NCc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)cccc1[N+](=O)[O-] 781077033 BWJJAZVBJBERPS-UHFFFAOYSA-N 425.485 4.013 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCc2noc(-c3ccc(F)cc3F)n2)cc1SC 781174434 DVQSJGNHOHQMJQ-UHFFFAOYSA-N 437.380 4.011 5 20 IIBD O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCC(c2nc3ccccc3s2)CC1 781563874 ONZBQOXNZCPKBC-LJQANCHMSA-N 436.493 4.104 5 20 IIBD COc1ccc(CN(CC(F)(F)F)C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 781591898 UHIGAULAERCLNV-UHFFFAOYSA-N 441.362 4.035 5 20 IIBD COc1ccc(CN(C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)C2CC2)cc1 781601933 WMXVGIHCLMMDJY-HNNXBMFYSA-N 427.457 4.272 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 784108074 XEVKDMRVMLIBMI-HXUWFJFHSA-N 425.422 4.323 5 20 IIBD CN(C)c1ccc(COC(=O)Cc2csc(Cc3ccc(F)cc3)n2)cc1[N+](=O)[O-] 784502350 URKUYCMDPYXQBP-UHFFFAOYSA-N 429.473 4.133 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 784527953 LTWNRKUMZYBOGZ-OAHLLOKOSA-N 430.386 4.429 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c(Cl)c1 786789404 VXEYVEDSNRHTHS-CYBMUJFWSA-N 443.843 4.054 5 20 IIBD O=C(COC(=O)c1cc2ccccc2n1CC(F)(F)F)Nc1ccc(F)c([N+](=O)[O-])c1 787188666 HBNICIWFUVOFFZ-UHFFFAOYSA-N 439.321 4.046 5 20 IIBD Cc1cc(F)cc(C(=O)NC[C@H](C(=O)OCc2ccccc2)c2ccccc2)c1[N+](=O)[O-] 787537176 NEAIKZNNWBXQGX-NRFANRHFSA-N 436.439 4.299 5 20 IIBD Cc1cc(C)c(NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cc1CO 787581331 QJNQESNPXZMNHT-UHFFFAOYSA-N 447.491 4.253 5 20 IIBD C[C@H](Cc1cccc(Cl)c1F)OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 788411159 CVPWKAFGUXDNMK-BXUZGUMPSA-N 440.880 4.228 5 20 IIBD Cc1cnc(COC(=O)CSc2nncn2-c2ccc(C(C)C)cc2)c(C)c1[N+](=O)[O-] 789443589 FQJCQNQZTZKEJU-UHFFFAOYSA-N 441.513 4.146 5 20 IIBD C[C@H](C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)c1c(F)cccc1F 791173841 HURHQTHKICVRCH-JTQLQIEISA-N 425.229 4.324 5 20 IIBD CC(C)(C)OC(=O)NCc1ccc(OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 795233492 UCWGCOCTXOBNKG-UHFFFAOYSA-N 435.864 4.290 5 20 IIBD CCc1[nH]nc(C(=O)O[C@H](C)C(=O)N2c3ccccc3Sc3ccccc32)c1[N+](=O)[O-] 795614680 HKKMVZYUPXRGMK-GFCCVEGCSA-N 438.465 4.255 5 20 IIBD Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)C1(C)C 799818057 RFIWDRPASDHWSA-GFCCVEGCSA-N 445.257 4.017 5 20 IIBD C/C(=C/c1ccccc1C(F)(F)F)COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 802253369 WDSVABPBUPZJRU-XFXZXTDPSA-N 443.399 4.277 5 20 IIBD O=[N+]([O-])c1ccc(Br)c(NNCn2c(=S)oc3ccc([N+](=O)[O-])cc32)c1 802741762 SRBXBIYOWBIUCN-UHFFFAOYSA-N 440.235 4.117 5 20 IIBD COc1ccc([C@@H]2CCCCCN2C(=O)COC(=O)c2cc([N+](=O)[O-])cc(C)c2F)cc1 803459544 XQDXMDKBXTWBGV-FQEVSTJZSA-N 444.459 4.352 5 20 IIBD CC(C)c1[nH]nc(C(=O)NCc2cccc3c2CCCN3C(=O)OC(C)(C)C)c1[N+](=O)[O-] 807857981 AERITBRWMZQGHK-UHFFFAOYSA-N 443.504 4.059 5 20 IIBD Cc1nn(C)c(Cl)c1Cc1noc(-c2cc([N+](=O)[O-])cc(Br)c2C)n1 809488543 KKHIGOHXQCEOFZ-UHFFFAOYSA-N 426.658 4.002 5 20 IIBD Cc1ccc(CN2CC[C@@H](CN(C)CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C2)s1 809559454 QNHFIKJDNGYLJL-HNNXBMFYSA-N 436.965 4.011 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@@H]1CCN(c2cccc(Br)c2)C1 809916930 YXUUIGFYUUWHHU-GFCCVEGCSA-N 439.697 4.411 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 813530977 WNNLPUOCEDHSSU-VXGBXAGGSA-N 432.304 4.467 5 20 IIBD C[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 813627519 GSBPPNSQIXLZJP-RBZFPXEDSA-N 449.429 4.472 5 20 IIBD O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1cc(Cl)c(F)cc1Cl 815503430 PUPYYPDXJUIOJP-UHFFFAOYSA-N 429.187 4.196 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)CC[C@H]21 816999110 UELLQLDKUQIIHS-BLLLJJGKSA-N 443.422 4.085 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 864244719 KPCTWLFIQXVFRW-FLIBITNWSA-N 437.412 4.003 5 20 IIBD CSc1ccc(C(=O)O[C@@H](C(=O)Nc2cccc(NC(C)=O)c2)C(C)C)cc1[N+](=O)[O-] 876684850 SRYYPCGUCWRWSJ-LJQANCHMSA-N 445.497 4.095 5 20 IIBD C[C@@H](c1ccc(Cl)cc1)N(C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)C1CC1 914479902 HESDEXMKWZKLKO-HNNXBMFYSA-N 429.904 4.451 5 20 IIBD COc1ccc(CSCC(=O)OCc2ccc(-n3nc(C)cc3C)cc2)cc1[N+](=O)[O-] 914719438 KFOLGBBZEITTRY-UHFFFAOYSA-N 441.509 4.383 5 20 IIBD COc1cc([C@@H](C)Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OCCO 917091770 FMGATBHSMUVCMH-SNVBAGLBSA-N 445.350 4.075 5 20 IIBD Cc1cccc(Oc2ncccc2NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1C 917808658 PEGNUCZROHIJGP-UHFFFAOYSA-N 448.479 4.488 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)cc1Br 918143134 PLPXBOBPSHGODT-UHFFFAOYSA-N 439.259 4.473 5 20 IIBD C[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(N2CCOC2=O)cc1 920976357 DRDFPSUHGIVTST-NSHDSACASA-N 436.371 4.036 5 20 IIBD O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 921035236 ABYPDNMDGKQDBW-INIZCTEOSA-N 444.482 4.120 5 20 IIBD O=C(NC[C@H](c1ccccc1)N1CCc2sccc2C1)N1Cc2ccc([N+](=O)[O-])cc2C1 1252355189 IVUUMYBHJFDENS-JOCHJYFZSA-N 448.548 4.481 5 20 IIBD COc1ccc(Cc2nc3ccccc3n2C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1OC 1320659925 ZAQKTOMSGSUCJT-NRFANRHFSA-N 433.464 4.286 5 20 IIBD C[C@H]1CCCN(C(=O)CCNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 1321652821 FMIBADAFPGTVNQ-IBGZPJMESA-N 447.539 4.186 5 20 IIBD COc1ccc(CSCC(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1[N+](=O)[O-] 1322656463 KEPJRPUNJDFBSL-INIZCTEOSA-N 440.525 4.119 5 20 IIBD CN(Cc1cc(Br)cs1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1N 1322737697 WZXVQMKONBNUAV-UHFFFAOYSA-N 449.124 4.036 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc(-c3cc(C)c([N+](=O)[O-])cc3C)no2)cc1 1323558540 WSJUIYCMPNJWCG-SFHVURJKSA-N 442.497 4.096 5 20 IIBD O=[N+]([O-])c1cc(-c2nnc(COc3ccccc3-c3ccccc3)o2)ccc1-n1cncn1 1323809016 LTFSWSSDCDFSCV-UHFFFAOYSA-N 440.419 4.472 5 20 IIBD COc1cc(-c2nnc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)o2)cc(OC)c1OC 1327266909 DAHWAKMCBJXOEB-UHFFFAOYSA-N 425.319 4.356 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1)c1cc(C(F)F)no1 1788308655 WYTGVTAHDVARNG-UHFFFAOYSA-N 446.366 4.175 5 20 IIBD O=C(CCC1CCCC1)NC1(c2ccc(NC(=O)c3nc[nH]c3[N+](=O)[O-])cc2)CCC1 1788611796 QTLNSXZONFIPEM-UHFFFAOYSA-N 425.489 4.036 5 20 IIBD C[C@H]1CCC[C@H]1C(=O)Nc1ccc(C2(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)CCC2)cc1 1789214617 WMGXVMZROAHABA-YCRPNKLZSA-N 437.496 4.484 5 20 IIBD Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CCC[C@H]2C)cc(Cl)cc1[N+](=O)[O-] 1797922596 OKMCEKVEDVIQDG-SOGIYBJLSA-N 433.936 4.245 5 20 IIBD CC(C)c1ccc(C(=O)N2CCC3(CCCN(C(=O)c4ccc([N+](=O)[O-])o4)C3)CC2)cc1 1804651529 VLXCWVGEUVQQAB-UHFFFAOYSA-N 439.512 4.470 5 20 IIBD Cc1cc(C)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)c1 1830011141 YJODLVUMHIPUOU-NRFANRHFSA-N 438.528 4.087 5 20 IIBD O=C(/C=C/C1CC1)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1832899444 BVAOAQPUHYPRPD-JTFUDZLHSA-N 437.540 4.194 5 20 IIBD CCC[C@H]1CC[C@H](C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc([N+](=O)[O-])o3)C2)CC1 1841444724 KNJAALXCYXNVCF-BUNFEBTESA-N 429.517 4.011 5 20 IIBD Cc1ccc(C(=O)N2CCCC23CN(C(=O)C2(c4cccc([N+](=O)[O-])c4)CCC2)C3)c(C)c1 1844892438 JKPCGMDTBRZXDU-UHFFFAOYSA-N 447.535 4.151 5 20 IIBD Cc1ccc(C(=O)N2CCCC23CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)C3)cc1F 1844901107 DIHNUPZLTFTLRI-UHFFFAOYSA-N 445.878 4.135 5 20 IIBD CN(C)[C@H](CNc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])c1cccs1 15171309 ZWSCLOKGUYLMOJ-LJQANCHMSA-N 446.554 4.172 5 20 IIBD COc1ccccc1CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1OC 15209471 SRIQUCMXZXKCJQ-UHFFFAOYSA-N 443.481 4.025 5 20 IIBD CNc1ccc(C(=O)OCC(=O)N[C@H](c2ccc(C)cc2)c2cccs2)cc1[N+](=O)[O-] 17725054 HGNWYNSPJLMTBV-OAQYLSRUSA-N 439.493 4.069 5 20 IIBD CCCNc1nnc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)s1 17886588 VGHOWFJCIJAETN-QMMMGPOBSA-N 435.453 4.406 5 20 IIBD COc1ccc(CCC(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 21451417 QVVJSCSZZZNIHD-LBPRGKRZSA-N 440.374 4.125 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nncn1-c1ccc(C)c(Cl)c1 25097844 SQERSTMYSWOWPP-GFCCVEGCSA-N 447.904 4.265 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NC[C@@H]2Cc3ccccc3O2)c([N+](=O)[O-])c1 25569691 LZLMLPXMZTXLPY-KRWDZBQOSA-N 432.432 4.028 5 20 IIBD CCOc1cc(C(=O)O[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)c([N+](=O)[O-])cc1OC 28000339 KJDNHNUANOMFQL-OAHLLOKOSA-N 430.457 4.111 5 20 IIBD Cc1nc(-c2ccc([C@H](C)NC(=O)[C@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cs1 29100964 IQARJBVPCZWVDN-KBPBESRZSA-N 438.509 4.022 5 20 IIBD Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 59895495 YIQQXRRRBCGNMF-UHFFFAOYSA-N 438.406 4.026 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2ccc(Br)cc2Cl)CC1 60876682 FWWVQUIRCOLWFX-UHFFFAOYSA-N 444.738 4.030 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cccc(OCc2cccc(F)c2)c1)c1cccc([N+](=O)[O-])c1 62687414 YCTMVNVSTGYABI-HNNXBMFYSA-N 437.427 4.129 5 20 IIBD Cc1ccccc1OCCCN(C)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 108367016 CHZTWMDYOCCYBZ-UHFFFAOYSA-N 426.391 4.385 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)OCc2csc(-c3cnn(C)c3)n2)CC1 108801234 IVVBTAXOYMQLPW-UHFFFAOYSA-N 441.513 4.045 5 20 IIBD CN(c1ccc(Oc2nc3sccn3c2[N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1F 301071262 MLQSABBPFPGMMO-UHFFFAOYSA-N 448.457 4.061 5 20 IIBD O=C(Nc1cccc(CNc2cc3ncnc(O)c3cc2[N+](=O)[O-])c1)c1cccc(F)c1 301105967 SMGQYOMPFKGEQX-UHFFFAOYSA-N 433.399 4.247 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1Sc1nc2ccccc2n1C(F)F 301240474 METRVLSEOJFIJM-UHFFFAOYSA-N 435.380 4.487 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1Cl 302151706 HTKDFOPNJIQXDJ-SNVBAGLBSA-N 432.786 4.092 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CCC[C@](C)(c3ccccc3)C2)cc1[N+](=O)[O-] 303588560 OHLPHVXXDLDGSE-QFIPXVFZSA-N 437.525 4.068 5 20 IIBD O=C(C[C@H]1C=CCC1)Nc1ccccc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 409978061 QWVOBTSEKSNAKH-INIZCTEOSA-N 431.452 4.328 5 20 IIBD COc1cccc(C2(F)CCN(C(=O)c3cc(SC)c(OC)cc3[N+](=O)[O-])CC2)c1 410225961 BRFMTKQQULQUES-UHFFFAOYSA-N 434.489 4.435 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N(Cc1ccc(F)cc1)C1CCOCC1 426111240 IEQBULXEJFEKHP-UHFFFAOYSA-N 429.492 4.447 5 20 IIBD COc1ccc(CN[C@H](Cc2csc(-c3ccccc3Cl)n2)C(=O)O)cc1[N+](=O)[O-] 426738733 YKCVVEQTDQBILM-MRXNPFEDSA-N 447.900 4.166 5 20 IIBD CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] 429186423 XHTWLIJNRAEGJN-UHFFFAOYSA-N 440.500 4.284 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)cc1SC 430626721 MBMKAFJZDHWPQQ-WBVHZDCISA-N 429.542 4.108 5 20 IIBD Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 434330290 LBFMARPKXNXPDE-SFHVURJKSA-N 439.903 4.452 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2nc3c(s2)C[C@H](C(C)(C)C)CC3)cc1[N+](=O)[O-] 434809074 MXBIHVXMSGFBIL-UKRRQHHQSA-N 444.557 4.327 5 20 IIBD COc1cc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(OC)cc1Cl 437574784 GFOURXUIEGZJQQ-UHFFFAOYSA-N 435.864 4.341 5 20 IIBD O=C(c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CCCC2(CCCC2)C1 438684000 WIKPCYCKESXCOZ-UHFFFAOYSA-N 443.525 4.192 5 20 IIBD Cc1cc(OC[C@@H](O)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)c(C(C)C)cc1Cl 438817356 FJJXUGGACJTXTN-KRWDZBQOSA-N 430.892 4.378 5 20 IIBD CC(=O)Nc1ccc(-c2csc(NC(=O)Cc3cccc([N+](=O)[O-])c3C)n2)c(F)c1 439301972 MBELDTQVFMDXFF-UHFFFAOYSA-N 428.445 4.305 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](CCc1ccccc1)c1ccccc1 439697435 SREFYBFXKAGENQ-OAQYLSRUSA-N 447.491 4.422 5 20 IIBD CC[C@@H](C[C@H](C)CO)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] 439712077 DNVILUVYSNGFHM-RDJZCZTQSA-N 435.546 4.221 5 20 IIBD COCCc1noc(-c2cc(Cl)ccc2NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 440279616 HAWFWLSBTYXZDQ-LBPRGKRZSA-N 445.863 4.370 5 20 IIBD C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 444413424 SYZBCWSADYOLLD-XOBRGWDASA-N 426.860 4.036 5 20 IIBD CC(C)(CNC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1cccc(Br)c1 445025516 QMWFPZWQZRTDLP-UHFFFAOYSA-N 446.305 4.011 5 20 IIBD CC[C@@H](NC(=O)Cc1noc(CCOc2ccc(Cl)cc2[N+](=O)[O-])n1)c1ccccc1 445697946 VSJGOYUWOAANKL-MRXNPFEDSA-N 444.875 4.063 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 446020998 NYYYCRYEYUNRBX-KRWDZBQOSA-N 446.301 4.220 5 20 IIBD Cn1c(Cc2cccs2)nc2cc(C(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)ccc21 461403733 CHDMIAMLIGJPNL-UHFFFAOYSA-N 448.504 4.169 5 20 IIBD COc1ccccc1CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1)C1CC1 461525119 PRHHEQSTPPPNGX-QGZVFWFLSA-N 449.511 4.067 5 20 IIBD COc1ccc([C@@H](C)N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCOC2)cc1 461594379 WMSJEXAOIRYGFZ-IAGOWNOFSA-N 437.500 4.096 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](Cc1ccccc1)c1ccccc1F 464036982 CMIWIIIEZJUETP-HXUWFJFHSA-N 435.455 4.389 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N(CCc2ccc(C)cc2)C[C@@H]2CCCO2)cc1OC 464666734 IXYCSTWXIGKHPU-IBGZPJMESA-N 442.512 4.174 5 20 IIBD CO[C@H](CNC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1)C(C)(C)C 465206705 VDNPHTZOGLLTBZ-LJQANCHMSA-N 430.526 4.339 5 20 IIBD CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)O[C@@H](C)C2 466287327 MMUFGBUGPPHNAU-ULFGMLNVSA-N 430.888 4.390 5 20 IIBD C[C@H]1[C@@H](C)N(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC[S@]1=O 466439544 TYDXPYKZNORVCI-UFEGIJMPSA-N 438.958 4.381 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 468095403 DEGIFDCRBDOZFO-OAQYLSRUSA-N 431.492 4.500 5 20 IIBD CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)Cn1cc([N+](=O)[O-])c(C2CC2)n1 468111228 QETMCZVTRYMNCQ-UHFFFAOYSA-N 434.496 4.296 5 20 IIBD COc1cc(S(=O)(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)ccc1[N+](=O)[O-] 468760588 AMJJPHSJXJENIA-UHFFFAOYSA-N 449.872 4.032 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[C@@H](C)c1cccc(C(F)(F)F)c1 470013532 PFCMEPMCHHRSIY-ZIAGYGMSSA-N 437.418 4.042 5 20 IIBD CCc1ccc(C(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)cs2)cc1[N+](=O)[O-] 471365759 JBEOKVYCUSQCCD-UHFFFAOYSA-N 430.511 4.231 5 20 IIBD CCN1CCN(c2cccc(NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)c2)CC1 473808378 OISJISMKKLQVGO-UHFFFAOYSA-N 425.533 4.179 5 20 IIBD COc1cc(C(=O)Nc2sccc2C(=O)OC(C)(C)C)c([N+](=O)[O-])cc1OC(F)F 474779667 HCXQSBPEPVEXCL-UHFFFAOYSA-N 444.412 4.474 5 20 IIBD O=C1CCC[C@@H]1[C@H]1COCCN1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 475127402 FCVUJIOJKHXBFR-DHIUTWEWSA-N 446.507 4.018 5 20 IIBD C[C@H](CCCO)NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 477693142 IZDRITVBJXKQFS-OVGFGYAMSA-N 425.510 4.412 5 20 IIBD COC(=O)c1cc(F)cc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1F 478068570 SHGWMLNEXYVEHB-UHFFFAOYSA-N 442.374 4.491 5 20 IIBD O=[N+]([O-])c1ccccc1-n1ccc(-c2nc(-c3cccc(OCc4cccnc4)c3)no2)n1 478677235 OYRXYODHMUIPCK-UHFFFAOYSA-N 440.419 4.472 5 20 IIBD CCCOc1cc(NC(=O)N[C@H]2CCCc3nc(O)ccc32)c([N+](=O)[O-])cc1OCCC 480001901 MMHYHYFIRGMLOT-INIZCTEOSA-N 444.488 4.472 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CC(=O)N2CCCC2)CC1 480492678 GDOOSYJITOBYMC-UHFFFAOYSA-N 433.574 4.208 5 20 IIBD Cc1cc(NC(=O)N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)ccc1[N+](=O)[O-] 481174900 VQHGUFZDSHDJAF-QGZVFWFLSA-N 438.253 4.410 5 20 IIBD CCN([C@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 481441535 GQAOWDIRLCUJPF-JOCHJYFZSA-N 425.510 4.407 5 20 IIBD C[C@@H](NCc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O)c1ccc([N+](=O)[O-])cc1 482955803 DOTQTZKVKAKOPS-QGZVFWFLSA-N 436.512 4.200 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1cc(Cl)ccc1Cl 485316060 PPIFDWVYNCSJNS-UHFFFAOYSA-N 426.075 4.465 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CSc1nnc(CN2CCCC2)n1Cc1ccccc1 485368024 XGCVXLIIGYFQCA-UHFFFAOYSA-N 439.541 4.131 5 20 IIBD Cc1ccc2c(c1)nc(CNC(=O)c1cc(OCc3ccccc3)ccc1[N+](=O)[O-])n2C 485763930 PTARIENMGPRRPX-UHFFFAOYSA-N 430.464 4.299 5 20 IIBD COC(=O)C[C@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccc(Cl)cc1 486190865 JXGWNCWWKMMLOT-JTQLQIEISA-N 447.694 4.106 5 20 IIBD O=C(CCCOc1ccc(Cl)cc1Cl)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 487033556 HEWOVSDJOCWFCD-UHFFFAOYSA-N 427.288 4.121 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@](C)(C(=O)OC)c1ccc(F)cc1 487611709 WEYVJDXTZIHUJJ-NRFANRHFSA-N 434.489 4.097 5 20 IIBD Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 488912263 RAKQHVPYLLHTMG-KRWDZBQOSA-N 426.521 4.348 5 20 IIBD O=C(c1cc(I)ccc1F)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 492955433 CJXIIHUQDDCDSX-UHFFFAOYSA-N 440.212 4.143 5 20 IIBD C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CCN(CCC(C)(C)C)CC1 494799673 LLUOMVKIIRGCML-INIZCTEOSA-N 445.589 4.099 5 20 IIBD CC(C)(C)CNC(=O)c1ccc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 498149712 PMCVEHCHBPZBGJ-OAQYLSRUSA-N 427.526 4.259 5 20 IIBD CCn1c2ccccc2c2cc(NC(=O)Cn3cnc4cc([N+](=O)[O-])ccc4c3=O)ccc21 499796343 MQTFHEGGHLWEJN-UHFFFAOYSA-N 441.447 4.071 5 20 IIBD O=C(NCC1(c2c(F)cccc2F)CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 506461867 DVIDATIBWFFAHQ-UHFFFAOYSA-N 437.830 4.093 5 20 IIBD CCCNC(=O)c1ccc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1Cl 509369871 DUYPSXBMXWCXQE-UHFFFAOYSA-N 441.875 4.041 5 20 IIBD COCCCn1cnnc1S[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 511853877 NAEDFQGWOTUHJX-LJQANCHMSA-N 441.513 4.003 5 20 IIBD COC(=O)c1cc(C(=O)Nc2cccc(-c3nc4ccccc4n3C)c2)cc([N+](=O)[O-])c1 512320624 CIXAETGTPQPVED-UHFFFAOYSA-N 430.420 4.187 5 20 IIBD Cc1ccc2nc(COc3ccccc3C(=O)N(C)CCc3cccc([N+](=O)[O-])c3)cn2c1 512955458 QLACBKFGOAKAGS-UHFFFAOYSA-N 444.491 4.445 5 20 IIBD CCc1nnc(NC(=O)[C@H](C)[C@H](C)NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)s1 513039442 AOQYLYBHZXNIDL-OLZOCXBDSA-N 429.502 4.022 5 20 IIBD CC(C)[C@@H](CN[C@@H](c1cccc([N+](=O)[O-])c1)c1nccn1C)N1CCc2ccccc2C1 513665718 HGPLFFHQOWKQJN-RPWUZVMVSA-N 433.556 4.090 5 20 IIBD O=C(c1cc(NCCc2nc(-c3cccc(Cl)c3)no2)ccc1[N+](=O)[O-])N1CCCC1 513745061 UGUBZJGCEAAXJI-UHFFFAOYSA-N 441.875 4.189 5 20 IIBD COC(=O)[C@H](C)NC(=O)c1ccc(NC2CCC(c3ccccc3)CC2)c([N+](=O)[O-])c1 515545034 GWIAUKVZHGTZLB-DMKPSLHHSA-N 425.485 4.024 5 20 IIBD O=C(NCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1)c1ccc([N+](=O)[O-])cc1 515741227 SDSDUMOEBGTMMX-UHFFFAOYSA-N 436.295 4.213 5 20 IIBD COc1cc(OCC(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)ccc1[N+](=O)[O-] 519975969 PILHKGKNTATKRI-UHFFFAOYSA-N 445.815 4.120 5 20 IIBD O=C1c2ccccc2N[C@@H](c2csc(-c3cccc([N+](=O)[O-])c3)n2)N1C[C@H]1CCCO1 522195526 ZQYVDIMBBWODLT-OXQOHEQNSA-N 436.493 4.464 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(Cl)c(C[S@@](C)=O)c2)cc1[N+](=O)[O-] 522350430 MERGXWNCVTVUTJ-MUUNZHRXSA-N 442.946 4.007 5 20 IIBD O=C(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 524401877 FVVHVGZNVQILKQ-UHFFFAOYSA-N 445.401 4.063 5 20 IIBD Cc1cnc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c(Br)c1 533603540 BDNOICSQHBCYMO-UHFFFAOYSA-N 444.289 4.175 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CC[C@H](OCc4ccccn4)C3)c([N+](=O)[O-])c2)cc1 536307047 SBNJLCVOBAQLMC-NRFANRHFSA-N 432.480 4.346 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CC[C@@H]4[C@H](CCC(=O)N4C4CC4)C3)c([N+](=O)[O-])c2)cc1 536393365 YWCGPNTVLAVTHK-WIYYLYMNSA-N 448.523 4.135 5 20 IIBD CC[C@@H](C)n1ncc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1C1CC1 536490377 DRALRYOERVJLNY-SNVBAGLBSA-N 443.323 4.203 5 20 IIBD Cn1cnc([N+](=O)[O-])c1CN[C@](C)(Cc1cccc(Br)c1)c1ccccc1 539345193 CEDJBCAFTQXRSZ-HXUWFJFHSA-N 429.318 4.339 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC4(CCCN4C)CC3)cc2[N+](=O)[O-])n1 540842518 BYDKBHRRVQUVOH-UHFFFAOYSA-N 432.571 4.211 5 20 IIBD CCCn1c(=O)c2ccccc2n2c(SCc3ccc([N+](=O)[O-])cc3Cl)nnc12 541080640 VRTKCVFWOMMNSS-UHFFFAOYSA-N 429.889 4.308 5 20 IIBD COCCN(C(=O)[C@H](OC)c1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 544402594 HNVUAXWAQOLXDV-LJQANCHMSA-N 427.482 4.085 5 20 IIBD Cc1ccc(C(C)(C)NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cn1 545362396 XEVPNLZCXZWPHI-UHFFFAOYSA-N 434.283 4.456 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(c2nc([C@H]3CCC[C@@H](C)C3)no2)CC1 545641921 DKOUYXXAWRJOGG-PBHICJAKSA-N 448.545 4.148 5 20 IIBD CC(C)NC(=O)Nc1cccc(-c2noc(CCOc3ccc(Cl)cc3[N+](=O)[O-])n2)c1 546340003 DQPAEXSSOXSAFS-UHFFFAOYSA-N 445.863 4.450 5 20 IIBD CCOC(=O)c1cc(-c2nc(-c3ccc(OC4CCOCC4)cc3)no2)cc([N+](=O)[O-])c1 547205442 DZJWDUCVLCVMBJ-UHFFFAOYSA-N 439.424 4.046 5 20 IIBD O=C(N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1cc2c(cc1[N+](=O)[O-])OCO2 547337850 QHJSKLKZHMRRGT-AWEZNQCLSA-N 441.440 4.394 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCCc2ccc3n[nH]cc3c2)cc1[N+](=O)[O-])c1ccccn1 552031373 ZNDJCVWXIHUJBU-HNNXBMFYSA-N 430.468 4.012 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3F)C2)cc1[N+](=O)[O-])c1ccccn1 553623197 OLLPBBKXTMJGIE-SJLPKXTDSA-N 449.486 4.311 5 20 IIBD CC(C)(CO)[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1cccs1 554908537 PIIMZZGXJXNSQK-CQSZACIVSA-N 439.342 4.001 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(F)(c2cccc(OC)c2)CC1 555044544 XWRZKJZUZFMFCJ-UHFFFAOYSA-N 425.464 4.347 5 20 IIBD COc1ccc([C@@H](C)NC(=O)Cc2noc(-c3cc4cc([N+](=O)[O-])ccc4s3)n2)cc1 556014779 OUMYJLGXARTTEU-GFCCVEGCSA-N 438.465 4.288 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H](C)c2ccc(OC)c(OC)c2C)cc1[N+](=O)[O-] 557984565 ULIIIYQQGCABPZ-AWEZNQCLSA-N 434.514 4.040 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N1CCC[C@@H](c2ccccc2)C1 558303932 NEGAJUDQYYNMJQ-CQSZACIVSA-N 436.249 4.219 5 20 IIBD C[C@@H](C(=O)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1)c1cccc([N+](=O)[O-])c1 559374610 DVJJCFJMBYIJPS-GOSISDBHSA-N 435.524 4.128 5 20 IIBD C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 561808350 WKIUNTGJVBWJMR-CYBMUJFWSA-N 428.851 4.286 5 20 IIBD O=C(Nc1ccnc(Oc2ccc(F)cc2F)c1)c1cc([N+](=O)[O-])cc2c1OCCO2 567569667 NJCOTDVJRPLXGC-UHFFFAOYSA-N 429.335 4.084 5 20 IIBD CCc1c(-c2ccc(Br)cc2)n[nH]c1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 571908014 LQYRDRCDSYORSS-UHFFFAOYSA-N 431.246 4.268 5 20 IIBD O=C1C[C@H](c2noc(-c3ccc4[nH]c5ccccc5c(=O)c4c3)n2)CN1Cc1ccccc1 575904690 LBNFKLCAODPRMU-SFHVURJKSA-N 436.471 4.247 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 577328708 JIMCSIDQGICKEW-FQEVSTJZSA-N 432.908 4.006 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC(c2noc3cc(F)ccc23)CC1 579417345 DXTBDSXMHDJZSW-UHFFFAOYSA-N 435.415 4.081 5 20 IIBD CC(=O)Nc1cccc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)c1C 589133784 OUPJGPCVHIJPQZ-UHFFFAOYSA-N 431.246 4.265 5 20 IIBD C[C@@H](c1cccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1)N1CCOCC1 591254630 WHVJUTHMFGIKGY-IBGZPJMESA-N 441.531 4.187 5 20 IIBD COc1cc(C(=O)Nc2cccc3cnccc23)c([N+](=O)[O-])cc1OCc1cscn1 604384838 JGRPCKFZTRZVRJ-UHFFFAOYSA-N 436.449 4.439 5 20 IIBD COc1ccc(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c(Br)c1 608899406 BLGRYMKVVOVLNP-UHFFFAOYSA-N 447.188 4.228 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccnn2Cc2cccc3ccccc23)c(Cl)c1 608927973 VOEFOFBHHSESAP-UHFFFAOYSA-N 442.884 4.447 5 20 IIBD CCOc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)n2)cc1 608938983 OMMNMDZGIXKNTF-UHFFFAOYSA-N 427.438 4.141 5 20 IIBD C[C@H](NC(=O)[C@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1)c1cccc([N+](=O)[O-])c1 609057290 HKDFBKKTPFEFJI-MGPUTAFESA-N 441.553 4.285 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1 609069125 DOKYXCZGSMYTMO-UHFFFAOYSA-N 443.456 4.024 5 20 IIBD Cc1[nH]nc(C(=O)N(Cc2ccc(Cl)c(Cl)c2)C[C@H](C(C)C)N(C)C)c1[N+](=O)[O-] 609170755 YZAIRYWIMLVGHC-MRXNPFEDSA-N 442.347 4.162 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC(n2cc(Br)cn2)CC1 609455571 GDJXJQCBJSDHFC-UHFFFAOYSA-N 435.303 4.246 5 20 IIBD CC(C)[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 609722294 QKWHYSIYLUKLJS-OAQYLSRUSA-N 434.876 4.302 5 20 IIBD CC(C)(C(N)=O)c1ccc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1 610068847 XRCPGHNKNMHPSZ-UHFFFAOYSA-N 432.480 4.222 5 20 IIBD C[C@H](c1ccccc1)n1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 610954356 KFLWARQLRBWMHE-GFCCVEGCSA-N 440.403 4.220 5 20 IIBD COc1ccc2[nH]cc(CCNC(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)c2c1 611072891 QNZRKXVTTKYWMG-UHFFFAOYSA-N 432.274 4.128 5 20 IIBD CC(C)(C)OC(=O)c1cccc(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 611437399 OLARNELDXINXJO-UHFFFAOYSA-N 425.485 4.424 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 619495994 UNCVYORIBFELGG-UHFFFAOYSA-N 443.308 4.388 5 20 IIBD C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)cc1 727711197 DXEJKNJETPAENE-ZDUSSCGKSA-N 437.905 4.064 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 730378511 MXKMNJDTWMWQMN-GFCCVEGCSA-N 426.901 4.405 5 20 IIBD COc1ccc(Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])cc1Br 732805237 HAQBPVMWEKTOJJ-UHFFFAOYSA-N 437.218 4.106 5 20 IIBD C[C@H](Oc1ccc(F)cc1Cl)C(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 733687637 GVKWQRQJNDHTQX-ZDUSSCGKSA-N 437.855 4.009 5 20 IIBD COc1cc(NC(=O)C(C)C)c(C(=O)OCc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 734883277 KMTSIDZFRYUILX-UHFFFAOYSA-N 436.848 4.217 5 20 IIBD Cc1cccn2cc(-c3ccc(NS(=O)(=O)c4cccc(F)c4[N+](=O)[O-])cc3)nc12 734976458 ZTGVPLOKTYCKQM-UHFFFAOYSA-N 426.429 4.158 5 20 IIBD O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1nn(-c2ccccc2)c2c1CCC2 735443726 SDUFNFHMZIGCEX-UHFFFAOYSA-N 430.420 4.281 5 20 IIBD COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 741237704 AQLUVOBYVRXCOL-HNNXBMFYSA-N 431.920 4.418 5 20 IIBD CC[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 741828353 GAWJBRXLCZGJJY-ZIAGYGMSSA-N 444.509 4.008 5 20 IIBD COc1cccc(Oc2ncccc2CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)c1 742409928 WUKUTMYKWNJRMU-UHFFFAOYSA-N 436.424 4.359 5 20 IIBD O=C(Nc1ccc(OCc2ccccn2)c(Cl)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 743696417 UZBFOFBNTJENOD-UHFFFAOYSA-N 428.788 4.383 5 20 IIBD COc1cc(COC(=O)CN(C)c2ccccc2[N+](=O)[O-])cc(Cl)c1OC(F)F 744358695 YSAVCUHGFHLDAO-UHFFFAOYSA-N 430.791 4.038 5 20 IIBD COc1ccc(OCCOC(=O)c2sc(-c3ccc(F)cc3)nc2C)c([N+](=O)[O-])c1 744613766 IODDHPWQRVHFSF-UHFFFAOYSA-N 432.429 4.410 5 20 IIBD C[C@H]1CCC[C@H](OCc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1 745098735 HEQVMXDKTKTAQY-KSSFIOAISA-N 449.485 4.399 5 20 IIBD CN(Cc1cc2ccccc2o1)C(=O)c1cc([N+](=O)[O-])ccc1I 746562099 WZBWAIDHIIAXSM-UHFFFAOYSA-N 436.205 4.218 5 20 IIBD CCCCCCNC(=O)[C@H]1CCCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C1 748307829 ORIYHRZSXZSNGJ-IBGZPJMESA-N 425.533 4.273 5 20 IIBD Cc1c(C(=O)NCc2ccc(Br)cc2Cl)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748632038 BPOYROMEMRALPY-UHFFFAOYSA-N 442.653 4.466 5 20 IIBD COc1cccc(C(C)(C)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c1 750529438 SZRMXGZRQSFOKG-UHFFFAOYSA-N 425.254 4.213 5 20 IIBD C[C@H](OC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ncc(-c2ccc(Cl)cc2)o1 751645662 FQYUUXACVKAKAB-LBPRGKRZSA-N 439.815 4.402 5 20 IIBD CCc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F 751690208 HBOXPFGCWDMMRJ-JTQLQIEISA-N 439.237 4.243 5 20 IIBD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nc(-c2ccc(Cl)cc2)n1 751856087 NZOBZOBBJLSLMB-CYBMUJFWSA-N 440.843 4.198 5 20 IIBD C/C(=C/C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc([N+](=O)[O-])cc1 752348311 JRGRXPHYSZEGPE-MMRAYRKESA-N 433.804 4.130 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)N(Cc1csc(Br)c1)C1CC1 752375465 LDSIJWPVVDMJSU-UHFFFAOYSA-N 429.267 4.128 5 20 IIBD O=C(NCc1ccc(-n2ccnc2)c(F)c1)Nc1ccc(Br)c([N+](=O)[O-])c1 755035180 FJNCJKLCQPGVNU-UHFFFAOYSA-N 434.225 4.004 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)OCC(=O)Nc1c(Cl)cc(Cl)cc1Cl 755671138 CVFJIMKCYBXEPU-UHFFFAOYSA-N 433.631 4.359 5 20 IIBD O=C(c1ccc(CS(=O)(=O)C(F)F)cc1)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 759425080 GQPQRDIMHCLVNV-UHFFFAOYSA-N 438.452 4.322 5 20 IIBD O=C(CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)OCCn1cc([N+](=O)[O-])ccc1=O 761365118 YUGBXZLDGNQXMJ-UHFFFAOYSA-N 449.438 4.220 5 20 IIBD COC(=O)c1cc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc(Br)c1F 761548941 LHZXAKVHDQQYBU-UHFFFAOYSA-N 428.239 4.092 5 20 IIBD O=C1C[C@@H](c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)CN1c1ccc2c(c1)CCC2 762309274 PTIVUDRBBZRGQN-QGZVFWFLSA-N 443.463 4.059 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCCCC[C@H]1C[C@H](O)c1ccco1 762992030 YASKUCLIKNAJPW-RXVVDRJESA-N 427.501 4.297 5 20 IIBD C[C@H](OC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1nc(-c2ccccc2)cs1 763409918 VGCMUIRRTAVAPZ-KGLIPLIRSA-N 425.466 4.392 5 20 IIBD COc1ccc(OC)c([C@@H](O)CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)c1 763774592 DOVJCBQFXUKQHV-IBGZPJMESA-N 446.525 4.110 5 20 IIBD O=C(/C=C\c1ccccc1)N1CCC(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 764080295 RGJZIQVVABWSKY-JYRVWZFOSA-N 433.508 4.038 5 20 IIBD CN(CCC1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1)C(=O)OC(C)(C)C 769918706 QUYOTNUYISJFQG-UHFFFAOYSA-N 443.342 4.226 5 20 IIBD O=C(CCc1nc(-c2cc(Br)cs2)no1)Oc1cc(F)cc([N+](=O)[O-])c1 771487617 ADLHAILKBALPGL-UHFFFAOYSA-N 442.222 4.146 5 20 IIBD Cc1nc(CNC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)oc1-c1ccc(Cl)cc1 771521198 RMSUOZWLMTXCEZ-UHFFFAOYSA-N 429.845 4.146 5 20 IIBD Cc1cc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])n([C@H]2CCN(Cc3ccccc3)C2)n1 772273287 ZXTVACWNWQVLCV-INIZCTEOSA-N 441.438 4.077 5 20 IIBD Cc1ccc2cc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)ccc2n1 773230613 PGAVYRLCDCZRGG-UHFFFAOYSA-N 433.342 4.266 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(=O)c1ccc(NC3CC3)c([N+](=O)[O-])c1)C2 773366264 QNOFBZZCFDMWLL-UHFFFAOYSA-N 444.532 4.032 5 20 IIBD O=C(O)C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1cccc(Cl)c1 776675938 YGXGXYPHVXPOSW-GFCCVEGCSA-N 445.628 4.096 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1cccnc1Oc1ccc(Cl)cc1Cl 779196110 LHWSGZKTHYPGBY-UHFFFAOYSA-N 437.239 4.451 5 20 IIBD Cc1nc(C(C)C)sc1[C@@H](C)OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 779313700 OYGHXFLBUOJIBP-CHWSQXEVSA-N 437.543 4.454 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cccc(Br)c1Cl 780130055 VJSFZFGVESMQRC-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781755874 FPTSSFXJKIYTDI-LJQANCHMSA-N 440.456 4.382 5 20 IIBD CC(C)c1ccc(C(=O)OCc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)cc1[N+](=O)[O-] 784257246 KZMLNWATWBDQGD-UHFFFAOYSA-N 448.476 4.218 5 20 IIBD COc1ccc(NC(=O)CCN2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)c([N+](=O)[O-])c1 784483534 QAEYOUYHSWGLSS-OAHLLOKOSA-N 437.418 4.440 5 20 IIBD Cc1c(C(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)nnn1-c1cccc([N+](=O)[O-])c1 784520710 KFTKVHUCQCNSBO-HNNXBMFYSA-N 445.401 4.132 5 20 IIBD COC(=O)COc1c(C)cc(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1C 785521270 IGJUOTXGEPNPGX-UHFFFAOYSA-N 426.391 4.072 5 20 IIBD Cc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nnc2N2CCCC2)cc1 789893414 WIWJMPWMCODKRQ-UHFFFAOYSA-N 440.485 4.285 5 20 IIBD COc1cc(C(=O)Nc2ccc3c(c2)CCN3C(=O)OC(C)(C)C)cc([N+](=O)[O-])c1C 790565822 GZGZCUNXYJHVRT-UHFFFAOYSA-N 427.457 4.462 5 20 IIBD COc1cc([C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)C(F)(F)F)cc(OC)c1OC 790926050 JUWPLCOAZCXHIE-QGZVFWFLSA-N 446.353 4.102 5 20 IIBD CC(C)(C)OC(=O)N1Cc2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2C1 792140428 GDYKQQJKSFFTFP-UHFFFAOYSA-N 443.412 4.111 5 20 IIBD C[C@@H](OC(=O)c1ccc(COc2ccc(F)cc2)o1)C(=O)Nc1ccccc1[N+](=O)[O-] 792336781 FMGZGLDJQHAGMC-CYBMUJFWSA-N 428.372 4.090 5 20 IIBD CCOC(=O)C1=C(c2ccc([N+](=O)[O-])cc2)NC(=S)N[C@H]1c1ccc(C(F)F)cc1 794781712 XJJKKKBYEBSLBH-INIZCTEOSA-N 433.436 4.026 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)o2)C1 795260479 YEFXGDZAJQOAPB-AWEZNQCLSA-N 448.501 4.067 5 20 IIBD C[C@@H](c1ccccc1)N(C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 796125312 YFECSUVQBVCJEK-LBPRGKRZSA-N 425.304 4.272 5 20 IIBD C[C@@H](OC(=O)[C@@H]1CCCC(F)(F)C1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 800283016 VRPUWEOPHHWAKC-DGCLKSJQSA-N 439.440 4.414 5 20 IIBD O=C(NCCOC(=O)c1ccc(Cl)c2ncccc12)c1ccc([N+](=O)[O-])cc1Cl 802054792 QPAZPXZNROCJIV-UHFFFAOYSA-N 434.235 4.037 5 20 IIBD C[C@@H](OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1cc(Cl)ccc1OC(F)F 802103991 OJIYMQPWDKWNAT-SECBINFHSA-N 449.815 4.171 5 20 IIBD Cc1nc(Cl)c(Cl)cc1C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 808067971 HGBOMOKJANQUNE-HNNXBMFYSA-N 440.283 4.418 5 20 IIBD CC[C@H](CN(CC)C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 810399313 PUXLYVXMWKTFHP-CQSZACIVSA-N 448.317 4.338 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)OCC(=O)c1ccc(C(F)(F)F)nc1Cl 811108538 HGGSJSNIVNGQRR-UHFFFAOYSA-N 441.749 4.043 5 20 IIBD O=C1CSc2cc(C(=O)OCc3csc(-c4cccc([N+](=O)[O-])c4)n3)ccc2N1 811216951 RQOBCBMOVRWNJV-UHFFFAOYSA-N 427.463 4.120 5 20 IIBD CCCCN1C(=O)CC[C@@H](c2nc(CCC(C)(C)[N+](=O)[O-])no2)[C@@H]1c1ccc(OC)cc1 812813491 LUJPMUICYVCQHA-NQIIRXRSSA-N 444.532 4.314 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 813246825 RZCCCZCZFDSPHH-UHFFFAOYSA-N 427.844 4.429 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)Nc1ccc(OC(F)F)cc1 815511460 KQFCCCBGROURQP-UHFFFAOYSA-N 434.273 4.011 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 897488403 BNQPAZIVIGIZBO-UHFFFAOYSA-N 429.379 4.054 5 20 IIBD CCN(Cc1cccc(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])c1)C(=O)C(F)(F)F 915160025 AZJMCIXUTIKJGP-UHFFFAOYSA-N 441.431 4.480 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NC[C@H](c2cccc(Cl)c2)N2CCCC2)c1[N+](=O)[O-] 915212980 OCRWDCYJQMPXPP-GOSISDBHSA-N 434.880 4.206 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OCc2nc(C(C)(C)C)no2)cc1 915249563 JIJFQFPRAHOACO-UHFFFAOYSA-N 427.413 4.433 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)OCC(=O)N2CC[C@@H](C)Sc3ccccc32)c1 915440311 YMPCFSMUNDYFMY-MRXNPFEDSA-N 444.509 4.133 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(C)[C@@H](C)c1ccc(Cl)c(Cl)c1 915662859 FAXLPUFJQOEALX-NSHDSACASA-N 441.267 4.321 5 20 IIBD Cc1oncc1C(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 917405052 AHBZRMOSWTWECU-UHFFFAOYSA-N 449.467 4.386 5 20 IIBD COc1cc(/C=C(\C(=O)OCCOc2cccc([N+](=O)[O-])c2)c2ccccc2)ccc1O 919168694 HYBJCSUWVGLEGI-STZFKDTASA-N 435.432 4.472 5 20 IIBD CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 920207888 NLJZXNQOKAHNQT-JSGCOSHPSA-N 427.448 4.103 5 20 IIBD COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COc2ccc([N+](=O)[O-])c(F)c2)cc1 921267131 JYXDQLQMYPOIFB-HSZRJFAPSA-N 449.438 4.499 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)CCOc1cc(Cl)ccc1Cl 1115882371 CNRPUPFRGGSRRL-UHFFFAOYSA-N 427.240 4.161 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC(Nc2ccccc2Cl)CC1 1116349025 WXEIRBXNMDQGFF-CQSZACIVSA-N 432.908 4.160 5 20 IIBD CC(C)[C@]1(CO)CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 1261207089 OHACOEXMZHOFSH-JOCHJYFZSA-N 431.920 4.341 5 20 IIBD O=C([C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)N1Cc2ccc([N+](=O)[O-])cc2C1 1322146348 HJHWKNQVKXLFHJ-GOSISDBHSA-N 434.279 4.049 5 20 IIBD Cn1cc(-c2nnc(-c3cccc(Br)c3)o2)c(-c2ccc([N+](=O)[O-])cc2)n1 1322949037 CWPSQVQPHWEALV-UHFFFAOYSA-N 426.230 4.475 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 1323102595 WMPVTKGIFJFHML-UHFFFAOYSA-N 429.885 4.061 5 20 IIBD C[C@H](Oc1ccc(C(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cn1)c1ccccc1 1324986331 DZVHRBYIGNSYFG-IBGZPJMESA-N 446.507 4.088 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@@H]2CCCN(C(=O)COc3ccccc3)C2)n1 1325492024 SENPSKGGMOFZMI-QGZVFWFLSA-N 436.468 4.047 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)C34CCC(CC3)CC4)CCC2)cc1)c1n[nH]cc1[N+](=O)[O-] 1789693423 JGHKRSYWUPQRPX-UHFFFAOYSA-N 437.500 4.036 5 20 IIBD Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2ccco2)cc(Cl)cc1[N+](=O)[O-] 1794404295 OLKVVDPAAWVKIJ-BJWYYQGGSA-N 445.903 4.034 5 20 IIBD Cc1cc(C)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c(F)ccc([N+](=O)[O-])c2C)C3)c1 1799662677 RIQBXVLLQWRUHQ-REPLKXPHSA-N 439.487 4.225 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@@H]1c1ccccc1 1802211443 RNDXJKARVACEHT-XSENDYMTSA-N 445.519 4.050 5 20 IIBD CCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])c(OC)c2)[nH]n1 1821939681 BDCQGHKWQVULIJ-MRXNPFEDSA-N 443.504 4.069 5 20 IIBD O=C(/C=C/C1CCCCC1)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)CC2 1822943890 HLDGBEMLXAOMFJ-XYYIANASSA-N 444.513 4.007 5 20 IIBD CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)CCCC1 1823839511 DBILLSPHAGIZOT-JOCHJYFZSA-N 441.572 4.337 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccc(N4CCCCC4)nc3)cc2)c(C)c1[N+](=O)[O-] 10274993 ZGOZSNHMNVILJJ-UHFFFAOYSA-N 434.500 4.094 5 20 IIBD CCN(C(=O)[C@@H](C)OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C1CCCCC1 12090277 JSOXXPZKHXISHE-GFCCVEGCSA-N 427.295 4.084 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(Sc2nccn2CC)c([N+](=O)[O-])c1 14322133 OEONSISXHSAAKN-UHFFFAOYSA-N 432.527 4.178 5 20 IIBD C[C@H](OC(=O)c1ccc(Br)cc1F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 18612271 WDCLTDKMCVTLEH-QMMMGPOBSA-N 445.628 4.334 5 20 IIBD O=C(Nc1ccccc1C(=O)NOCc1ccccc1)c1ccc([N+](=O)[O-])cc1Cl 25284490 ARJNKXWSLFKZOO-UHFFFAOYSA-N 425.828 4.362 5 20 IIBD O=C(COc1ccccc1C(=O)NCc1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl 26811823 VFTLQYWQKBPPBR-UHFFFAOYSA-N 439.855 4.196 5 20 IIBD C[C@@H](N[C@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 28347023 MQJKBASZJJUEDG-CHWSQXEVSA-N 430.892 4.275 5 20 IIBD C[C@@H](OC(=O)Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 28669595 ZIZNDRZTIDKIOZ-SNVBAGLBSA-N 430.766 4.380 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 32442379 VKNVDZLMLUZHFV-INIZCTEOSA-N 439.493 4.195 5 20 IIBD CCOc1ccc(-c2nc(Cn3cc(Br)c([N+](=O)[O-])n3)cs2)cc1OC 64040043 HMXJJJLKFZINTH-UHFFFAOYSA-N 439.291 4.133 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1csc(COC)n1 65049341 IRNOVGGLEKKCCW-UHFFFAOYSA-N 447.494 4.355 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccccc2CN(C)C2CCCCC2)c([N+](=O)[O-])c1 71834290 HOADWUXRMSDFPM-UHFFFAOYSA-N 433.530 4.169 5 20 IIBD Cc1sc2nc(CS[C@H](C)C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)[nH]c(=O)c2c1C 108285714 HETWTKNIDSNMAK-WCQYABFASA-N 446.554 4.009 5 20 IIBD Cc1sc2ncnc(N3CCC(C(=O)N[C@H](C)c4cccc([N+](=O)[O-])c4)CC3)c2c1C 108290788 FRIHSFBXNWLEND-CQSZACIVSA-N 439.541 4.310 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)CC(C)(C)c2ccccc2)ccc1[N+](=O)[O-] 110318753 GSJNDHWVSFBELX-PGRDOPGGSA-N 437.540 4.380 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1[N+](=O)[O-])c1ccccn1 195602796 XKCNWEVYFUJGRO-HNNXBMFYSA-N 433.468 4.117 5 20 IIBD COC(=O)COc1cccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1 237193986 HEFIXOKWJJAAKY-UHFFFAOYSA-N 430.844 4.350 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2cccc(NC(=O)c3cccc(F)c3)c2)s1 301931913 MEPKWYRLMHDHEJ-UHFFFAOYSA-N 449.485 4.063 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3nc(C(F)(F)F)cs3)cc2[N+](=O)[O-])C1 303921063 VTZXPHUMWDSKPA-VXGBXAGGSA-N 442.463 4.482 5 20 IIBD COC(=O)C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(OC(F)(F)F)cc1 409751654 QNEGWUBVDCJXHJ-HNNXBMFYSA-N 441.362 4.228 5 20 IIBD CC(C)Cc1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C(C)C)cc1 410015441 ZNPCWKRRJPTQIG-OAQYLSRUSA-N 432.542 4.324 5 20 IIBD CCOc1cc(CN2CC[C@@H](C)C(F)(F)C2)ccc1OCCn1c([N+](=O)[O-])cnc1C 426378294 KYQVQYSEGGHHCL-OAHLLOKOSA-N 438.475 4.055 5 20 IIBD CC(C)OC[C@H](CO)N(C)C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 432606180 AKCHVBBPSCKSPY-INIZCTEOSA-N 438.933 4.257 5 20 IIBD O=C(NCc1cccc(CN2CCCC2)c1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 436097576 CRFHNCGEJXCBKL-UHFFFAOYSA-N 429.495 4.346 5 20 IIBD O=C(Nc1ccccc1CCC(F)(F)F)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 437047031 UDFFYXGZJYRNQK-UHFFFAOYSA-N 435.402 4.219 5 20 IIBD O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437763271 WXTYMUNWTYQGCG-SFHVURJKSA-N 429.448 4.488 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCC[C@@H]1c1ncc(-c2ccccc2)[nH]1 439207363 TYWKOAXSQKDEEM-LJQANCHMSA-N 426.498 4.209 5 20 IIBD CCOCCO[C@H]1CCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 441679356 MPOVNKYAOOONJL-RXVVDRJESA-N 447.919 4.055 5 20 IIBD C[C@H]1CN(CCCCNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C[C@H](C)O1 443666129 DFFNCCGXUUXUAI-ROUUACIJSA-N 443.569 4.365 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCN(c2ccccc2Br)C1 443950047 UPLMKXURRJDDDQ-AWEZNQCLSA-N 433.306 4.375 5 20 IIBD O=[N+]([O-])c1ccc([C@H]2SCCN2S(=O)(=O)c2ccc(C(F)(F)F)cc2F)cc1 444205101 KOLHBEVQTPSYCB-OAHLLOKOSA-N 436.408 4.189 5 20 IIBD O=C(NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444477379 OKAOAQZVWDZBKS-LAJNKCICSA-N 436.405 4.034 5 20 IIBD COc1ccccc1-c1nc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)n[nH]1 444645784 HKDKCNQHFQLTNC-UHFFFAOYSA-N 447.401 4.006 5 20 IIBD COc1ccc(NC(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)cc1[N+](=O)[O-] 444929532 KDNPPKQETNHZDN-NVXWUHKLSA-N 426.256 4.032 5 20 IIBD COCCCCN(Cc1ccccc1)C(=O)c1sc(Br)cc1[N+](=O)[O-] 446026404 RHAJJTGXSVCPRX-UHFFFAOYSA-N 427.320 4.488 5 20 IIBD CC(C)N(Cc1cccc(F)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 447023140 JTROCCIUUGFTSF-UHFFFAOYSA-N 431.283 4.096 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2nccs2)c(C(F)(F)F)c1 447036741 HDSGIYCOCYCWPB-HNNXBMFYSA-N 443.428 4.138 5 20 IIBD CC(C)(COc1ncccc1C(F)(F)F)NC(=O)CSc1ccc([N+](=O)[O-])cc1 448394604 CEUYFNPAKMWQSP-UHFFFAOYSA-N 429.420 4.075 5 20 IIBD CC(=O)Nc1ccc(S[C@@H](C)C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 460346892 IGXQLHQGDXEGHS-RBZFPXEDSA-N 431.539 4.308 5 20 IIBD CNC(=O)c1cc(Oc2ccc(NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)cc2F)ccn1 461219182 QKQITPRWZHNGTN-UHFFFAOYSA-N 449.398 4.014 5 20 IIBD Cc1cc(N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c(C(F)(F)F)cc1[N+](=O)[O-] 461773516 IMSUFXYCWBMXBL-GFCCVEGCSA-N 431.436 4.345 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 462520036 ZTOIPWPYGMIRBD-HOTGVXAUSA-N 449.287 4.239 5 20 IIBD CN(c1ccccc1)c1ccc(CN[C@@H](CS(C)(=O)=O)c2ccccc2)cc1[N+](=O)[O-] 463056546 NMRGNCHFIZIDFV-NRFANRHFSA-N 439.537 4.238 5 20 IIBD CC[C@@H](C)NC(=O)CCNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 464435087 BOFCHQYJEJYWIQ-CYBMUJFWSA-N 435.933 4.434 5 20 IIBD O=C(Nc1ccc2cccc(Br)c2n1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 465055562 CDXZXYPQXDCMRZ-UHFFFAOYSA-N 439.225 4.412 5 20 IIBD O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465833832 LVNCEIGEYYZYNY-YADHBBJMSA-N 425.485 4.068 5 20 IIBD Cc1cccc(I)c1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl 466297493 LBSDDIUPLQWSNJ-UHFFFAOYSA-N 430.629 4.091 5 20 IIBD NC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 466430069 BZTJZDRJLXZNKU-GDBMZVCRSA-N 433.917 4.173 5 20 IIBD CC(C)n1c([C@H]2CCCN2C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)nc2ccccc21 467494018 IOEKGNBHIQPMRN-HRAATJIYSA-N 449.511 4.007 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCc1c(OC(C)C)ccc2ccccc12 467883539 QTYWQQWOJOXUIC-UHFFFAOYSA-N 435.480 4.407 5 20 IIBD C[C@@H]1CN(c2cccc3cnccc23)CCN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 470428672 NGVKINBDTGKJGP-MRXNPFEDSA-N 427.464 4.042 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCSC[C@H]3c3nccs3)cc2[N+](=O)[O-])C1 472114341 CWQDSCHUIOBNIK-CLCXKQKWSA-N 446.598 4.464 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 472686325 LTHIBFJKCCAUQO-WBVHZDCISA-N 439.365 4.144 5 20 IIBD COc1c(C(=O)N(C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)cccc1[N+](=O)[O-] 475016468 MNJIQYVKSMHYDS-UHFFFAOYSA-N 426.391 4.434 5 20 IIBD C[C@H](CCCc1ccccc1)C(=O)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 478085816 IUXSKPKRQKBPID-GOSISDBHSA-N 435.528 4.169 5 20 IIBD C[C@H](Sc1nnc(-c2ccccn2)n1-c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 479926955 JIKFTWGCHLFTMF-HNNXBMFYSA-N 446.492 4.357 5 20 IIBD CCc1[nH]nc(C(=O)Nc2cccc(CNC(=O)Nc3ccccc3Cl)c2)c1[N+](=O)[O-] 480037483 IBKFLMMRIKALKT-UHFFFAOYSA-N 442.863 4.108 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](c1cc(F)cc(Br)c1)C1CC1 481739439 GLDMXEMFAAPMTB-LJQANCHMSA-N 436.281 4.484 5 20 IIBD C[C@H](O)[C@](C)(CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)Cc1ccccc1 482177454 JKBRFYVMGLIFMA-QMTYFTJSSA-N 432.495 4.180 5 20 IIBD Cc1c(CNC(=O)C(=O)Nc2cccc(CSC3CCCC3)c2)cccc1[N+](=O)[O-] 483814815 HTFXDPOBZYYZAK-UHFFFAOYSA-N 427.526 4.334 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 485741586 CVAVRIJSPNBDAF-HSZRJFAPSA-N 445.466 4.325 5 20 IIBD CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cccc(SC)c2[N+](=O)[O-])CC1 486255882 QTTFEHGQZXARMS-HNNXBMFYSA-N 446.548 4.089 5 20 IIBD COc1ccc(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1Cc1ccccc1 486650975 MEGUYBMRVOFNHI-UHFFFAOYSA-N 435.484 4.260 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H](OCc3ccccn3)C2)cc1 488127859 QYUFIFLUPIPREY-OAQYLSRUSA-N 449.463 4.222 5 20 IIBD O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1 489885903 OOBZFIROULUXKE-MRXNPFEDSA-N 440.843 4.344 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)c([N+](=O)[O-])c1 490892694 HSXVKOIESVLCHQ-KGLIPLIRSA-N 449.891 4.111 5 20 IIBD COc1cc(CNCc2cccc(Br)c2)c([N+](=O)[O-])cc1OCC(F)F 494597242 BHYJMVRNRWNULB-UHFFFAOYSA-N 431.233 4.300 5 20 IIBD CS(=O)(=O)c1cccc(Nc2cccc(-c3cn(Cc4ccccc4)nn3)c2)c1[N+](=O)[O-] 497539087 NYQOEHDVNIBDPU-UHFFFAOYSA-N 449.492 4.049 5 20 IIBD COc1cc(C(=O)N[C@@H](c2cccc(C)c2)c2ccccn2)c([N+](=O)[O-])cc1OC(F)F 499357491 FAAXSCQYSVMCJH-FQEVSTJZSA-N 443.406 4.428 5 20 IIBD COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 500360738 GQGYCBOPOQZCDX-KRWDZBQOSA-N 447.241 4.090 5 20 IIBD O=C(N[C@H]1CCOc2c(Cl)cccc21)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 501630609 RVMWYQBGOPBFGB-AWEZNQCLSA-N 430.766 4.443 5 20 IIBD Cc1cnc(O)n1-c1ccc([C@H](C)NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 501861091 MMXOIONYGSTFDH-AWEZNQCLSA-N 449.492 4.409 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1 503441736 GNZABRXEVHJJDV-LJQANCHMSA-N 432.318 4.153 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1 503835468 YOVVKFFYXUBTLP-AWEZNQCLSA-N 442.337 4.337 5 20 IIBD O=[N+]([O-])c1cccc2ncnc(N3CCCN(Cc4ccc(C(F)(F)F)cc4)CC3)c12 509052507 RIXQJTIDCQJZFO-UHFFFAOYSA-N 431.418 4.269 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N1CCC[C@H]1Cc1ccccc1 509506712 VSFKIPMBEHGQBR-AWEZNQCLSA-N 436.249 4.047 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC(F)(F)C1 510783211 MSTVFJKJGSYQFU-SNVBAGLBSA-N 438.212 4.063 5 20 IIBD CC(C)Cn1ncc(NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1C1CC1 510822483 USIWDCPSLMZLLP-UHFFFAOYSA-N 427.505 4.199 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 512942992 ZWBLRKAQQDYXSL-UHFFFAOYSA-N 427.464 4.157 5 20 IIBD COc1cc(CNCc2nccc(C(F)F)n2)c([N+](=O)[O-])cc1OCc1ccccc1 514688248 JKUZQPIBDNBHME-UHFFFAOYSA-N 430.411 4.200 5 20 IIBD C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 516323086 YTVUUOQHBHOZKJ-HNNXBMFYSA-N 444.534 4.463 5 20 IIBD CN(Cc1cccc2ccccc12)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 518706168 STMSTVFPMGLPEN-UHFFFAOYSA-N 435.299 4.331 5 20 IIBD O=C(CNc1ccccc1[N+](=O)[O-])NCC1(c2ccc(Cl)cc2Cl)CCOCC1 520109534 HUPHXGAPDLECSD-UHFFFAOYSA-N 438.311 4.178 5 20 IIBD COc1cc(C(=O)N[C@H](c2ccccc2)c2nc3ccccc3n2C)c([N+](=O)[O-])cc1OC 520380226 WGKZJHZTARFSRP-JOCHJYFZSA-N 446.463 4.018 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1NCc1ccc2ccccc2n1 520562728 FYPXFQXJQOEJEV-UHFFFAOYSA-N 440.525 4.320 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N[C@H]1CCN(C2CC2)C1 520764972 QBSWZLHIOMKYJZ-FDWYHIAWSA-N 448.548 4.488 5 20 IIBD COC(=O)c1c(F)cccc1NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 521533838 MRGNIGHIJLYNTQ-KBPBESRZSA-N 429.448 4.255 5 20 IIBD CCCN(CCC)C(=O)c1ccc(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cc1 522665991 FVDZLYKXMOWCGG-UHFFFAOYSA-N 436.468 4.363 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(NC(=O)NCc2ccco2)cc1 522741755 IGXCMKHWSAYQLL-UHFFFAOYSA-N 428.832 4.344 5 20 IIBD O=C(Nc1ccc2c(c1)OCCO2)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 522849873 IUGPQNBDQRPAAA-UHFFFAOYSA-N 435.223 4.111 5 20 IIBD Cc1ccc(NCCCNC(=O)c2ccccc2OCc2c(C)noc2C)c([N+](=O)[O-])c1 523517409 CUWQFOSDKHTZJZ-UHFFFAOYSA-N 438.484 4.319 5 20 IIBD COc1cc(C(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)cc([N+](=O)[O-])c1OC 525043644 FXRYILZGYRLDLG-UHFFFAOYSA-N 435.436 4.425 5 20 IIBD CC[C@@H](CS(=O)(=O)c1ccccc1)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 533563727 CMEABWSGHRPJSX-INIZCTEOSA-N 431.539 4.060 5 20 IIBD Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)C2)cc1 534247761 BWVBOHIATGGNOK-MRXNPFEDSA-N 435.484 4.058 5 20 IIBD CN1CC[C@@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@H]1c1ccc(Cl)c(F)c1 534265269 RPVJNJSUNGSPEK-VBKZILBWSA-N 430.867 4.291 5 20 IIBD CCOc1cc(NC(=O)N2CC=C(c3cccc(OC)c3)C2)c([N+](=O)[O-])cc1OCC 541994049 NZAQFPPWHTYSQM-UHFFFAOYSA-N 427.457 4.332 5 20 IIBD CCCn1c(Sc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])nnc1-c1cccc(C)c1 542104362 SRJKUESCGKRGER-UHFFFAOYSA-N 438.556 4.188 5 20 IIBD O=C(c1ccc(Cl)c(Cl)c1)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 542771878 WNYHNZGKBPANDK-UHFFFAOYSA-N 434.283 4.130 5 20 IIBD O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)Nc1ccccc1NCC1CCCCC1 542991210 XBAVYYNBSZBSNX-UHFFFAOYSA-N 439.516 4.025 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 543919780 OXIUUDWYNGUJFF-HXUWFJFHSA-N 449.429 4.428 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 544383887 NXSHGJSQSLGZBS-LBPRGKRZSA-N 427.379 4.009 5 20 IIBD C[C@@H](C(=O)N1CCC2(CCN(Cc3ccccc3)C2)CC1)c1ccc([N+](=O)[O-])cc1F 544411327 AEMOWTGLZAICBD-GOSISDBHSA-N 425.504 4.352 5 20 IIBD C[C@@H]1CCc2c(C(=O)N3CCCN(c4nc5ccc([N+](=O)[O-])cc5[nH]4)CC3)csc2C1 544687461 XGJRSSWNZDWQQA-CQSZACIVSA-N 439.541 4.010 5 20 IIBD CCN1CCN(c2ccc(-c3noc(CSc4ccc([N+](=O)[O-])cc4)n3)cc2F)CC1 545662912 ZUKSPTVVQMJNCZ-UHFFFAOYSA-N 443.504 4.218 5 20 IIBD Nc1ccc(-c2noc(CC3(CC(=O)Nc4nccs4)CCCCC3)n2)cc1[N+](=O)[O-] 546259893 BPPLTDKRVCGMFQ-UHFFFAOYSA-N 442.501 4.205 5 20 IIBD Cn1ncc([N+](=O)[O-])c1-c1nc(-c2ccc(Oc3ccccc3C(F)(F)F)nc2)no1 547156582 YMYMFTPGXCTVSY-UHFFFAOYSA-N 432.318 4.251 5 20 IIBD COC(=O)c1cc(C)nc(NC2(Cc3ccc(F)cc3Cl)CCOCC2)c1[N+](=O)[O-] 549248730 XRGUUVLQKPLMST-UHFFFAOYSA-N 437.855 4.081 5 20 IIBD COc1cccc(Oc2ccc(CN[C@H](c3cccc([N+](=O)[O-])c3)c3nccn3C)cn2)c1 552051089 GWJPWCLKBGXJCP-HSZRJFAPSA-N 445.479 4.403 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(-n2cnc3ccccc32)cc1 555193816 PAQTZTZVQBALLX-UHFFFAOYSA-N 429.480 4.318 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N3CCC[C@@H]3[C@H]3CCCO3)c([N+](=O)[O-])c2)c(C)c1 561320009 MGNIFOUUWXCPSJ-IFMALSPDSA-N 445.541 4.160 5 20 IIBD O=C(Nc1ncc(Cc2cccc(F)c2)s1)N1CCOc2ccc([N+](=O)[O-])cc2C1 562058459 PQUQQHMSORPBGV-UHFFFAOYSA-N 428.445 4.208 5 20 IIBD O=C(Nc1cnn(-c2ccccc2)c1C(F)(F)F)N1CCOc2ccc([N+](=O)[O-])cc2C1 572769021 ZPWCMPQHTGOHKQ-UHFFFAOYSA-N 447.373 4.226 5 20 IIBD Cn1cc(CNC[C@H]2CCCCN(Cc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 577381393 WOKDMXOTIJOKOW-OAQYLSRUSA-N 433.556 4.387 5 20 IIBD CC(=O)N1C[C@@H]2CCC[C@@H](Nc3ccc(C(=O)Nc4ccc(C)cc4)cc3[N+](=O)[O-])[C@H]2C1 581153042 FNHCGRLLTQRUPH-SESVDKBCSA-N 436.512 4.214 5 20 IIBD C[C@H](C(=O)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1cccc([N+](=O)[O-])c1 584447239 ZBUFXOOOZUSWCL-AWEZNQCLSA-N 449.429 4.138 5 20 IIBD O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 585764787 IDQGHLWCMUWPIL-QFIPXVFZSA-N 439.487 4.273 5 20 IIBD O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 590646831 BWOYPIXDIZIXST-UHFFFAOYSA-N 445.378 4.261 5 20 IIBD CCOc1cc(NC(=O)[C@H]2CCCCN2C(=O)c2cccs2)c([N+](=O)[O-])cc1OCC 603083200 XEWOTQYMHBJGPZ-OAHLLOKOSA-N 447.513 4.087 5 20 IIBD COc1ccc(CSCC(=O)N(C)Cc2ccc(Br)cc2)cc1[N+](=O)[O-] 603565044 HAQIURSVPOBBOP-UHFFFAOYSA-N 439.331 4.258 5 20 IIBD CC(C)Oc1ccccc1[C@@H](C)Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 603862390 OODAYQAFXUJSGT-MRXNPFEDSA-N 433.530 4.340 5 20 IIBD O=C(c1cccc2c[nH]nc12)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 603917965 ACWMDKLMVWORMR-UHFFFAOYSA-N 447.520 4.158 5 20 IIBD C[C@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 603982272 CNFUXJVRJLMAIK-ZDUSSCGKSA-N 437.905 4.064 5 20 IIBD CCCOc1ccc(NC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cc1Cl 603993808 VAZSECHFKSZYNH-UHFFFAOYSA-N 442.859 4.144 5 20 IIBD CC1CCN(C(=O)c2ccccc2NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 604013729 RGHBGUQXEYRREA-UHFFFAOYSA-N 436.512 4.319 5 20 IIBD COc1ccc(CNC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)cc1[N+](=O)[O-] 604191948 FCQQJACKMZJJKQ-UHFFFAOYSA-N 442.475 4.445 5 20 IIBD CCOC(=O)c1cc(C(=O)N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1 604519277 YYCYOECEMMJIPG-LAUBAEHRSA-N 426.469 4.011 5 20 IIBD CCOc1cc(C(=O)N2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)c([N+](=O)[O-])cc1OC 604540746 CNZNXEJWCYULBW-HNNXBMFYSA-N 438.484 4.207 5 20 IIBD CCOc1ccc(C(C)=O)cc1CSCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 609768680 HRWRIDSVNPTXNA-UHFFFAOYSA-N 430.482 4.428 5 20 IIBD Cc1nn(C)c(C)c1CC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 609792044 XNVPCNHVUJWURU-UHFFFAOYSA-N 446.866 4.389 5 20 IIBD O=C(CCS(=O)(=O)c1ccc(Cl)cc1)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 609859775 DFVJCYYSNZKWDK-UHFFFAOYSA-N 436.917 4.388 5 20 IIBD CC[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)Cc1cccc(Br)c1 609868397 RGVUGMIAANSFAO-GFCCVEGCSA-N 435.274 4.085 5 20 IIBD Cc1ccc(NCCCNC(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)c([N+](=O)[O-])c1 610090881 NKTBRJWCBUUTJR-SFTDATJTSA-N 430.480 4.064 5 20 IIBD O=C1CCCN1c1cc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)ccc1Cl 610234025 YIEHOTQJYKIFNA-HXUWFJFHSA-N 431.901 4.263 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CCC([C@H](O)C(F)(F)F)CC1 611213057 XLPWAWXAKXGPTM-KRWDZBQOSA-N 432.464 4.405 5 20 IIBD C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 684858748 BATAHFLKKDLSFK-YNGFEMSNSA-N 432.564 4.333 5 20 IIBD Cc1ccc(-n2cnnc2SCC(=O)OCc2c(F)cccc2[N+](=O)[O-])cc1Cl 728987987 IMNZAPFKTVWJTB-UHFFFAOYSA-N 436.852 4.112 5 20 IIBD O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc2cc(Br)ccc2o1 731510470 BGUYJWOUGDCZOX-INIZCTEOSA-N 445.225 4.066 5 20 IIBD CCc1ccc(OC(=O)c2ccccc2CS(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1 734737374 POQUBBKGMCGUPW-UHFFFAOYSA-N 425.462 4.350 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)CCCNC(=O)OC(C)(C)C)cc2[N+](=O)[O-])C1 736044015 NIDNBBLCTDBXQN-IAGOWNOFSA-N 448.564 4.064 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[C@@H](C)Cc1ccccc1F 737475358 IJUBLFLSHJNPNI-HNNXBMFYSA-N 426.448 4.400 5 20 IIBD C[C@H](OC(=O)[C@@H](C)c1cccs1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 738778217 AZNZQONVUAALRT-RYUDHWBXSA-N 431.495 4.454 5 20 IIBD CC(C)[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)N(C)C1CCCCC1 740409929 JTUNKRNWYDHDAZ-KRWDZBQOSA-N 441.322 4.330 5 20 IIBD C[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1nc(-c2ccc(Cl)cc2)no1 742940190 FHADMTDTZVXFGH-LBPRGKRZSA-N 425.832 4.130 5 20 IIBD CC(C)n1cc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(Br)c3)ccc2n1 743261656 MIRSPKYSRAKVLX-UHFFFAOYSA-N 439.291 4.089 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)Nc1ccccc1OC(F)F 747118123 AVXKAQKGIXNBIA-SECBINFHSA-N 448.300 4.399 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1C[C@@H]1c1cccc(Br)c1 747521323 NXHYCEXWPLKJQC-CVEARBPZSA-N 444.241 4.254 5 20 IIBD C[C@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)N[C@@H](C)c1ccc(F)cc1 747958831 WQEZRQKYUNIGOA-STQMWFEESA-N 443.456 4.280 5 20 IIBD CC(C)(C)OC(=O)Nc1cc2c(cc1NC(=O)c1c[nH]c3cc([N+](=O)[O-])ccc13)OCO2 750086820 PBCDHYXXIGQCIF-UHFFFAOYSA-N 440.412 4.404 5 20 IIBD CN(Cc1ccc([S@](C)=O)cc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 750894450 XHLQXJVSSOIAJZ-VWLOTQADSA-N 445.722 4.020 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@H](c1ccccc1)c1cccc(F)c1 756318346 LJYCLXFEIPQAKF-LJQANCHMSA-N 427.819 4.232 5 20 IIBD C/C(=C/c1ccccc1)CN(C)C(=O)c1cc([N+](=O)[O-])ccc1I 756772835 GTVLUVLMYGGAIV-RAXLEYEMSA-N 436.249 4.375 5 20 IIBD C[C@H](OC(=O)c1cc(F)c(C(F)(F)F)c(F)c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 758859296 XQMHZKZNTNPNDJ-ZETCQYMHSA-N 436.264 4.215 5 20 IIBD O=C(CSCc1coc(-c2ccccc2)n1)O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 759950447 PVEXIVOLLDLHNQ-MSOLQXFVSA-N 442.497 4.407 5 20 IIBD COc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c1 763120150 UPKTXARKYMMUFP-HSZRJFAPSA-N 445.475 4.461 5 20 IIBD CN1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@H]1c1ccc(Cl)c(F)c1 764323002 MWQOGFVOBQJHLL-SCLBCKFNSA-N 426.275 4.464 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)c2nc3cc(Br)cnc3[nH]2)c1 764631450 GVWHBOLJXTWCLM-MRVPVSSYSA-N 437.275 4.269 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCC(C(=O)OC(C)(C)C)CC2)c1=S 764963669 QTZUQLOEOLMFLC-UHFFFAOYSA-N 447.561 4.020 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 765544831 HGSVUZFETXIWCM-TZIWHRDSSA-N 436.512 4.042 5 20 IIBD C[C@H](OC(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 766777817 AOOINTOTHHXOPR-AXTRIDKLSA-N 442.777 4.339 5 20 IIBD CN1CCN(c2ccc(NCc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)cc2Cl)CC1 770545464 QBHVEOOSTXZFQD-UHFFFAOYSA-N 440.935 4.013 5 20 IIBD O=C(Nc1ccc(O)c(-c2nc(-c3ccc([N+](=O)[O-])s3)no2)c1)OCC(F)(F)F 771224638 OTHOSDDCSPXERO-UHFFFAOYSA-N 430.320 4.190 5 20 IIBD CC(C)(C)OCc1ccccc1C(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 773772581 PXOJFLWYMVLJIG-UHFFFAOYSA-N 427.501 4.378 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2nnc(-c3cccc4ccccc34)o2)ccc1Cl 775095029 LSTRHYKCEYRPNO-UHFFFAOYSA-N 430.829 4.252 5 20 IIBD Cc1cccc(-n2nnc(C(=O)O[C@@H](c3cccnc3)c3ccccc3[N+](=O)[O-])c2C)c1 776139147 NTGKNCLUDCNLCV-QFIPXVFZSA-N 429.436 4.134 5 20 IIBD CC(C)(C)OCc1cc(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)no1 777210982 VEODZEFSGCKXMY-UHFFFAOYSA-N 446.685 4.244 5 20 IIBD C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)COC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 778167061 YXTHXCDBNGYHSQ-LBPRGKRZSA-N 426.803 4.103 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1nnc(Cc2ccc(Cl)cc2)s1 778208444 LLCSYWTZCFFGIS-UHFFFAOYSA-N 447.860 4.170 5 20 IIBD COc1ccc(-c2nnc(SCC(=O)O[C@H](C)c3cc([N+](=O)[O-])ccc3C)o2)cc1 778740698 PLEKPVNANZBPJR-CYBMUJFWSA-N 429.454 4.358 5 20 IIBD CCOc1cccc2[nH]cc(CC(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c12 782461255 LJYJNPPJFYDVRS-LBPRGKRZSA-N 445.859 4.241 5 20 IIBD CSc1ccc(C(=O)N2C[C@@H]3[C@@H](CCC[C@H]3NC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] 784568477 XTLRFHXMYBKQRO-ARFHVFGLSA-N 435.546 4.082 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Oc2ccc(-c3ncn(C)n3)cc2)cc1[N+](=O)[O-])c1ccccn1 787097900 FCAZQLYEKLSWEO-OAHLLOKOSA-N 444.451 4.178 5 20 IIBD COCc1ccc(OC)c(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2-c2cccs2)c1 795773868 IVIMPOPUMRBKJV-UHFFFAOYSA-N 435.479 4.246 5 20 IIBD CC(=O)c1cc(Br)ccc1OCC(=O)OCc1cc([N+](=O)[O-])ccc1Cl 797035548 DOUDRMSOMUWTMJ-UHFFFAOYSA-N 442.649 4.336 5 20 IIBD CSc1cccc(F)c1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 798752545 YVYAYUAYGLKMTD-UHFFFAOYSA-N 432.351 4.270 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCCC4(CCN(C)CC4)C3)cc2[N+](=O)[O-])C1 799030042 WNIOHVSAHSFMON-RTBURBONSA-N 428.577 4.025 5 20 IIBD C[C@@H](NC1(CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCOCC1)c1ccccc1 809921613 HUALHTUQCKTWGI-OAHLLOKOSA-N 432.908 4.270 5 20 IIBD COc1ccc(C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c(OC)c1OC 811216031 ICDINHOTLQNOLT-UHFFFAOYSA-N 430.438 4.101 5 20 IIBD CCOc1ccc([C@@H](O)C2CCN(c3cc(C)c([N+](=O)[O-])cc3C(=O)OC)CC2)cc1 812480841 HMCZNBQQMMPGQL-JOCHJYFZSA-N 428.485 4.039 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 814428121 JLSHLHXPXCHHTE-IAGOWNOFSA-N 447.532 4.103 5 20 IIBD COC[C@@H](C)n1c(C)cc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c1C 815511924 AVCOLHWOXCOCRD-GFCCVEGCSA-N 442.390 4.279 5 20 IIBD C/C(=C\C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)c1cccc(C(F)(F)F)c1 819212647 TYEALRHHZSTOPZ-FYWRMAATSA-N 447.413 4.002 5 20 IIBD CSc1ccc(C(=O)O[C@@H](C(=O)N2CCc3ccccc3C2)C(C)C)cc1[N+](=O)[O-] 876685181 MQSSGWPSURXWOL-HXUWFJFHSA-N 428.510 4.083 5 20 IIBD CC[C@@H](C)c1ccc(C(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cc1 904221257 NHPKBCJMJDHKCD-RHSMWYFYSA-N 442.443 4.026 5 20 IIBD COc1ccc(C2=N/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)O2)cc1[N+](=O)[O-] 912754773 WRQMSROHOODXFB-LFIBNONCSA-N 435.348 4.116 5 20 IIBD Cc1cccc(C)c1OCCC(=O)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C 914713410 LXOVMBKAMKFFGR-UHFFFAOYSA-N 438.484 4.468 5 20 IIBD Cc1c(C(=O)NCCc2ccc(OCc3ccccc3)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 916088201 YMADZMNWEFRMLT-UHFFFAOYSA-N 435.436 4.363 5 20 IIBD Cc1c(NC(=O)[C@H](C)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cccc1[N+](=O)[O-] 917936967 XTUHSTSLLMMRCZ-FMKPAKJESA-N 430.480 4.095 5 20 IIBD O=C(N[C@@H](Cc1ccccc1)c1ccccc1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 918556186 XFOHNVQVIUYOEA-KNQAVFIVSA-N 447.466 4.187 5 20 IIBD CCc1ccc(NC(=O)c2nnc(COC(=O)c3cc(Cl)ccc3[N+](=O)[O-])s2)cc1 918863290 FZRJEVARILUDLA-UHFFFAOYSA-N 446.872 4.271 5 20 IIBD C[C@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)Nc1nc(-c2ccccc2)cs1 919515109 UZNSVOFFYDFNPL-LBPRGKRZSA-N 436.449 4.384 5 20 IIBD CN(C(=O)COC(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H](c1ccccc1)c1ccc(F)cc1 919569553 BCRYPBYDQQOZFO-QFIPXVFZSA-N 440.402 4.278 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)C[C@@H](C)c2ccc(C(F)(F)F)cc2)cc([N+](=O)[O-])c1C 920100049 GSZOMZIWZWZETC-GFCCVEGCSA-N 444.431 4.229 5 20 IIBD C[C@H](OC(=O)Cn1ccc2ccc(Cl)cc21)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 920558865 CTHRYYSEXXMTEP-NSHDSACASA-N 436.251 4.427 5 20 IIBD Cc1ccc([C@H](C)NC(=O)COC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1C 920778869 NKRTZYHBUDVXPR-GJZGRUSLSA-N 434.876 4.053 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1cccc(COCC2CC2)c1 920832313 LDWMZUBINQDHQP-UHFFFAOYSA-N 441.303 4.085 5 20 IIBD COc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)ccc1NC(=O)OC(C)(C)C 921294099 DJAWQCPBBXNXEU-UHFFFAOYSA-N 437.474 4.060 5 20 IIBD COc1c(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cnn1-c1ccccc1 1116629485 IWBJPWHBUXDOMG-UHFFFAOYSA-N 435.465 4.189 5 20 IIBD CC(C)[C@]1(CO)CCN([C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C1 1329943875 BPZBYMQWRPVOGQ-RBBKRZOGSA-N 431.920 4.268 5 20 IIBD O=C(Nc1ccc(OC(=O)[C@H]2COc3ccc(F)cc3C2)cc1)c1cccc([N+](=O)[O-])c1 1341802545 NTVLVGWOEWVRAH-MRXNPFEDSA-N 436.395 4.143 5 20 IIBD C[C@H](C(=O)OCC(=O)N(CC(F)(F)F)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 1343731670 FRHIWKSBFQPIPU-LBPRGKRZSA-N 444.793 4.490 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)C34CCC(CC3)CC4)CCC2)cc1)c1nc[nH]c1[N+](=O)[O-] 1788613635 YNNXESLZALRRFB-UHFFFAOYSA-N 437.500 4.036 5 20 IIBD O=C(Cc1ccccn1)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)CCC1 1790624094 ZVDKDLUZOGKNSO-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD CC(C)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cccc([N+](=O)[O-])c2)n[nH]1 1815538476 KOUYXEJPLIYRTJ-HXUWFJFHSA-N 441.532 4.379 5 20 IIBD CCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)n[nH]1 1823286581 BHUDRCLCRQJMJJ-INIZCTEOSA-N 443.504 4.069 5 20 IIBD CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 1826354226 SPFZCBUKVZZXHV-SFHVURJKSA-N 429.542 4.453 5 20 IIBD C[C@@H]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1828486237 NJFDHOHCJINCOD-XGRCMKMKSA-N 445.535 4.403 5 20 IIBD CC[C@H](C(=O)N1CC2(CCCN2C(=O)c2c(F)ccc([N+](=O)[O-])c2C)C1)c1ccccc1 1845492808 SBOCAWMNDZEOOA-SFHVURJKSA-N 439.487 4.053 5 20 IIBD O=C(COC(=O)Cc1c(F)cccc1Cl)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 11028587 YGGOBEKEIIEHFW-UHFFFAOYSA-N 434.729 4.131 5 20 IIBD C[C@@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)NCCC1=CCCCC1 11277497 GBNYDMIQCNOFSE-GOSISDBHSA-N 432.520 4.093 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCSCCC(=O)Nc1cc([N+](=O)[O-])ccc1C 13968305 VLXBCINANPSYDZ-UHFFFAOYSA-N 446.485 4.210 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] 18057375 MKVDXPQLFOAHQL-UHFFFAOYSA-N 426.712 4.242 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)N2CCc3ccccc3C2)cc1[N+](=O)[O-] 24260769 OOROTIIHLIVOLO-UHFFFAOYSA-N 429.476 4.090 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl 24840370 YBIBCQOEFASDRN-NWDGAFQWSA-N 441.267 4.090 5 20 IIBD CCOC(=O)c1cnn(-c2cccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2)c1C 25993908 IKSNIORDIVGANY-UHFFFAOYSA-N 428.832 4.171 5 20 IIBD COC(=O)[C@H](C)NC(=O)c1ccc(N[C@@H](C)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 29070392 NLGFJYGDTIZARB-RYUDHWBXSA-N 439.390 4.078 5 20 IIBD COc1cc(C(=O)N[C@@H](c2ccccc2)c2nc3ccccc3n2C)c([N+](=O)[O-])cc1OC 64340798 WGKZJHZTARFSRP-QFIPXVFZSA-N 446.463 4.018 5 20 IIBD O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 72023403 ROEOPHNWDVCOAI-UHFFFAOYSA-N 442.357 4.237 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 195674248 HPIOYJCZEAHJHT-AZUAARDMSA-N 438.311 4.129 5 20 IIBD COc1cc(CNc2ccc(C)c(NC(C)=O)c2)c([N+](=O)[O-])cc1OCC(F)(F)F 237259147 JAQMXPXPARQJPD-UHFFFAOYSA-N 427.379 4.423 5 20 IIBD O=C(N[C@@H](c1ccc(Cl)cc1)c1cccs1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 303410132 RAVOSGUEZDROGF-IBGZPJMESA-N 439.884 4.410 5 20 IIBD COc1ccccc1-n1ncc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1C 410000864 NNOLUUAOMJRPTA-UHFFFAOYSA-N 434.374 4.046 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 410169062 QCRNDZSMBYMNGE-UHFFFAOYSA-N 428.338 4.300 5 20 IIBD Cc1ccc(Sc2ccc(CN[C@H](CN3CCCCC3)C(=O)O)cc2[N+](=O)[O-])cc1 426755469 ZPSULKUCRMSIHA-LJQANCHMSA-N 429.542 4.083 5 20 IIBD CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1ccc(S(C)(=O)=O)c(Cl)c1 429413025 RUOJWZWGLYIMKD-CQSZACIVSA-N 428.963 4.312 5 20 IIBD C/C(=C/c1ccccc1)CN(C)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C 430363510 XYPZOJUPPBOCMP-LCYFTJDESA-N 446.301 4.166 5 20 IIBD C[C@@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCN1Cc1ccccc1 431500348 QGXLCUGQCOYYPN-OAHLLOKOSA-N 432.318 4.094 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2c3ccccc3CC[C@H]2C(C)C)cc1OC 431590004 NZWAZBSUGABTNW-SFHVURJKSA-N 428.485 4.246 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 431656259 WUZDFTVICSJTOY-UHFFFAOYSA-N 429.274 4.090 5 20 IIBD CCN([C@@H](c1cccnc1)c1ccc(F)c(F)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C 431912693 PHPMARRISWTXEI-OAQYLSRUSA-N 447.463 4.377 5 20 IIBD C[C@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccc2c(c1)CCC(=O)N2 436074011 JSVNTODEISONSW-LBPRGKRZSA-N 447.441 4.335 5 20 IIBD C[C@@H]1CCC[C@](CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)(N(C)C)C1 436155153 RVJLECZJDXCOMU-SHACYNPGSA-N 427.495 4.200 5 20 IIBD CN(C)Cc1cc(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)ccc1F 444020087 DKOJTMDXDSQXTB-UHFFFAOYSA-N 439.437 4.090 5 20 IIBD Cc1c(C[S@](C)=O)cccc1NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444025532 UQXOPJPRQHUCGH-HKBQPEDESA-N 440.471 4.399 5 20 IIBD O=C(NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444477383 OKAOAQZVWDZBKS-XUSGNXJCSA-N 436.405 4.034 5 20 IIBD Cc1cc(C)c(C[C@@H](C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)C(F)(F)F)c(C)c1 444635505 KQRQLIZIUNFZBT-INIZCTEOSA-N 434.418 4.434 5 20 IIBD O=C(c1c[nH]nc1-c1ccccc1Cl)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 446269748 PDIJCCUOFGEZMC-UHFFFAOYSA-N 426.860 4.322 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N(CCc1cccc(F)c1)C1CCCC1 446900549 ZJTSINVIAFILGJ-UHFFFAOYSA-N 425.464 4.307 5 20 IIBD C[C@@H](Oc1ccccc1Br)C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 460350258 QKQINEBHFMPKRJ-KZULUSFZSA-N 437.315 4.399 5 20 IIBD O=C(c1cnn2c(-c3ccccc3)ccnc12)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 461712556 PHFPGYQRSJEVCW-JOCHJYFZSA-N 431.477 4.192 5 20 IIBD CS(=O)(=O)c1cccc([C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)c2ccc(F)cc2)c1 463077242 NJXGPTANCXNSCM-SFHVURJKSA-N 435.864 4.387 5 20 IIBD CCc1cnc(CNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)s1 464127008 IHHPUAWHWUANGJ-UHFFFAOYSA-N 426.285 4.036 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)Oc1cccc(Br)c1 464681588 GAOSNCUAOFKQPP-OLZOCXBDSA-N 439.331 4.422 5 20 IIBD CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Br 465291101 KPYICTWXYCEDBG-UHFFFAOYSA-N 435.274 4.494 5 20 IIBD CCOCCOCc1cccc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1C 465342153 JNIISCKBNNWUFG-UHFFFAOYSA-N 438.484 4.109 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)cc1 466545242 QHTWWQKOQHJMTG-INIZCTEOSA-N 429.267 4.022 5 20 IIBD CCN([C@@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 467081798 ATSDWKXDRWGKKU-FQEVSTJZSA-N 431.539 4.468 5 20 IIBD COC[C@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccco1 471520241 PMBOFWFYQWJHGD-NRFANRHFSA-N 446.463 4.087 5 20 IIBD COc1cc(CN2CCSC3(CCOCC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 473063228 OWBJRAWBAWJBCM-UHFFFAOYSA-N 444.553 4.280 5 20 IIBD O=c1c(Br)cc([N+](=O)[O-])cn1CCCCOc1cccc(C(F)(F)F)c1 474360414 GRERYISGXJELFM-UHFFFAOYSA-N 435.196 4.397 5 20 IIBD COC(=O)[C@@H]1CCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C[C@@H]1C 475389503 IZRVKOUSKIZCCW-NQYLQCIDSA-N 445.903 4.059 5 20 IIBD COC(=O)[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@H]1C 476781288 VLIZDJCXUIIWFB-CXAGYDPISA-N 432.860 4.312 5 20 IIBD CN(C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)[C@@H]1CCC(C)(C)C1 478218618 QQJCCMSZOMBCIR-GOSISDBHSA-N 431.514 4.046 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 480195425 HKPDCWKCQJZNOP-CABZTGNLSA-N 448.829 4.269 5 20 IIBD COc1cc(C(=O)N2CCOc3cc(Br)c(Cl)cc32)ccc1[N+](=O)[O-] 481217946 GSUYRBOXPDDCLY-UHFFFAOYSA-N 427.638 4.059 5 20 IIBD C[C@@H](NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)c1nc[nH]n1 483122993 ZJUISUGULFCNIA-NWFCWYBLSA-N 434.481 4.131 5 20 IIBD Cc1ccc(-n2ncc(NC(=O)C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)c2C(C)C)cc1 483442870 BLXGRCAUWYIVOO-INIZCTEOSA-N 435.484 4.028 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(CN3CCSCC3)ccc2C)cc1SC 483624327 ZZTXIDYTIIEPHT-UHFFFAOYSA-N 447.582 4.435 5 20 IIBD CCc1cccc(Oc2ccc(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)cn2)c1 484137444 MTMBHXHWGQKVIY-UHFFFAOYSA-N 430.424 4.178 5 20 IIBD Cn1nc([N+](=O)[O-])cc1C(=O)Nc1sc2c(c1C(=O)c1cccc(Cl)c1)CCC2 484206693 WLMAMRWKGCHFKE-UHFFFAOYSA-N 430.873 4.015 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCOc1cccc(Br)c1 484313309 YLYVRJODFGEAQZ-UHFFFAOYSA-N 425.304 4.278 5 20 IIBD C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)C1(c2ccccc2)CCCC1 484379789 DDWFXGPSCLUETE-WMZOPIPTSA-N 441.553 4.278 5 20 IIBD CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1sc(Br)cc1[N+](=O)[O-] 485746596 DKGOEAFREDHARB-CQSZACIVSA-N 440.363 4.305 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)Nc1ccc(N2CCc3ccccc32)cc1 487877533 OAPIMTDQLQOTQY-UHFFFAOYSA-N 440.459 4.243 5 20 IIBD COc1cc(CCNC(=O)N2C[C@H](c3ccc(C)cc3)C[C@@H]2C)c([N+](=O)[O-])cc1OC 494232475 AOYKAOAYOUDRRR-QFBILLFUSA-N 427.501 4.051 5 20 IIBD COc1cc(C(=O)Nc2ccc(OC(C)C)nc2)c([N+](=O)[O-])cc1OCc1cscn1 502734227 KHWPFUOPQMRLCB-UHFFFAOYSA-N 444.469 4.073 5 20 IIBD Cc1ncc(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)s1 502739906 LADCZPDOUIUQKV-UHFFFAOYSA-N 433.493 4.071 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(NC(=O)c2ccsc2)CC1 503003242 LESCPEPFFHEKFV-UHFFFAOYSA-N 433.555 4.193 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCN(C)Cc3ccccc32)cc1[N+](=O)[O-])c1ccccn1 504846778 RQBVICHVLBXXGY-QGZVFWFLSA-N 431.496 4.255 5 20 IIBD CCOc1ccc([C@H](C)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)cc1[N+](=O)[O-] 504905719 MUJVJUJSNXFCEN-QRVBRYPASA-N 427.545 4.454 5 20 IIBD COc1cc(CN(C)CC(=O)Nc2ccccc2)c([N+](=O)[O-])cc1OCc1ccccc1 509561796 XGDYNLUQFMYMJV-UHFFFAOYSA-N 435.480 4.253 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(CC1CCC1)CC1CC1 510778637 FYVICVJDDRUPRE-UHFFFAOYSA-N 428.270 4.160 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)Cc1cccc(Br)c1)c1ccccc1[N+](=O)[O-] 511420843 HOLRVEDSIMHLLK-KRWDZBQOSA-N 449.301 4.099 5 20 IIBD C[C@@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)Nc1ccccc1[N+](=O)[O-] 514298707 OUVFEDANRQUUKO-MRVPVSSYSA-N 445.810 4.429 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CC[C@H](Cc4ccccc4)C3)n2C[C@@H]2CCCCO2)c1 515002427 LJLDRFZHWAYCNY-OFNKIYASSA-N 447.539 4.491 5 20 IIBD COCCN(Cc1cccs1)C(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 515529307 YKJZQIJPVFFUOP-IRXDYDNUSA-N 431.558 4.427 5 20 IIBD CCNc1ccc(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)cc1[N+](=O)[O-] 515613155 TYRCPMHFIDFODB-UHFFFAOYSA-N 434.452 4.296 5 20 IIBD CCCCNC(=O)C1CCN(c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])CC1 520561637 PXLKHWWFBRDKNF-UHFFFAOYSA-N 438.528 4.288 5 20 IIBD CN(C)c1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cn1 520951194 VPLSLIWPGCFWFZ-UHFFFAOYSA-N 431.290 4.368 5 20 IIBD Cc1ccc(Cl)cc1N1CC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 523295654 YLKUVZYITJFFNZ-CYBMUJFWSA-N 444.340 4.015 5 20 IIBD O=C(Nc1ccc(CC(F)(F)F)cc1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 525539262 TVLKXJRMHZHRQL-CYBMUJFWSA-N 427.404 4.004 5 20 IIBD COc1ccccc1CN(Cc1cccs1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 531604715 YTYGJXDSWVQYEP-UHFFFAOYSA-N 441.509 4.456 5 20 IIBD Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 535190382 KLFPVLBRLDKDJU-INIZCTEOSA-N 443.301 4.320 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(C(=O)NCCc2ccccc2)cc1 535369087 ADFNGTWXBPVPOH-UHFFFAOYSA-N 442.475 4.230 5 20 IIBD O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 538050180 HXCXBTHZAWRTCA-XLIONFOSSA-N 433.867 4.248 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](COc1ccccc1F)c1ccccc1 538165385 IDULCZBIMPFSCD-HXUWFJFHSA-N 439.443 4.091 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 538227903 INQDVIQITJDQDK-INIZCTEOSA-N 428.558 4.446 5 20 IIBD NC(=O)c1ccc(CSCc2ccc(Br)c3cccnc23)c([N+](=O)[O-])c1 542223157 XBBBTBZBAPDKSL-UHFFFAOYSA-N 432.299 4.438 5 20 IIBD CN1CCN(c2ccc(C(F)(F)F)cc2CNCc2ccc([N+](=O)[O-])cc2Cl)CC1 542480101 XGSHZHBEWLNXHG-UHFFFAOYSA-N 442.869 4.309 5 20 IIBD CN(C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 542651923 OXAAYSVMAFCULM-UIFIKXQLSA-N 447.601 4.201 5 20 IIBD COc1ccc(NC(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cc1[N+](=O)[O-] 542965326 UGHQQMLHQNONCY-INIZCTEOSA-N 438.406 4.018 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCCc1c[nH]c2ccc(Br)cc12 543356596 OJHCKQZXNVEWJI-UHFFFAOYSA-N 441.285 4.221 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 543925197 LZKJAORXCYCSDI-LJQANCHMSA-N 446.385 4.013 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCCc1nc(-c2ccncc2)cs1 544228010 RYKPANJJGWESLG-UHFFFAOYSA-N 434.930 4.218 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(Cc3ccc(F)cc3F)no2)c(I)c1 545574945 FBNGFLIKKNOKSL-UHFFFAOYSA-N 443.147 4.118 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCC[C@H]1CCCCO1 546170348 OKMLYVJAZNYSRX-QGZVFWFLSA-N 449.529 4.165 5 20 IIBD Cc1nn(-c2ccccc2)cc1-c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 547150179 CMAIJIURCOJQRD-UHFFFAOYSA-N 440.257 4.492 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1Cn1cnc2ccccc21 550714775 GJJFZNDYDLSRMM-CQSZACIVSA-N 443.301 4.320 5 20 IIBD Cc1c(NC(=O)CCN2CCC[C@@H]2c2ccc(Br)cn2)cccc1[N+](=O)[O-] 551098273 XOCXLKCQRDBSTQ-GOSISDBHSA-N 433.306 4.226 5 20 IIBD O=C(NCc1ccc(C(=O)O)o1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 558137435 AAMSDNBHJCMCSW-UHFFFAOYSA-N 429.816 4.082 5 20 IIBD CCOc1cc(NC(=O)N2CC[C@@]3(CCc4ccccc4O3)C2)c([N+](=O)[O-])cc1OCC 562016689 XRQPZMUQFPZQGC-QHCPKHFHSA-N 441.484 4.394 5 20 IIBD O=[N+]([O-])c1ccccc1Cc1noc(-c2cc(Br)cnc2OCC2CC2)n1 564213715 HBTUZOFDRSNMBY-UHFFFAOYSA-N 431.246 4.182 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)c1 567069550 LCLOEKMHXMDBJM-LLVKDONJSA-N 428.436 4.089 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc(NC(=O)NC2CC2)cc1 579498643 DSBLUMSNRRKKGV-LLVKDONJSA-N 436.390 4.389 5 20 IIBD CCOCc1nc([C@H](C)Nc2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])no1 580683481 ZMZMKXHFQPLJIT-AWEZNQCLSA-N 425.445 4.248 5 20 IIBD CC[C@@](C)(OC)c1noc(-c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)n1 583114031 YXDMLXCCBZTSNU-HXUWFJFHSA-N 446.485 4.026 5 20 IIBD COc1cc(CCNC(=O)[C@H](C)c2c(Cl)cccc2Cl)c([N+](=O)[O-])cc1OC 604571597 LIZJZPOWJCNIMM-LLVKDONJSA-N 427.284 4.381 5 20 IIBD CCN(CC)Cc1ccc(CNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)cc1 608830347 FAHVNPJLYHPASZ-UHFFFAOYSA-N 441.919 4.248 5 20 IIBD CCC[C@@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)Nc1cccc(N2CCCC2)c1 609503313 NUOBYIGFDMSRKM-GOSISDBHSA-N 444.919 4.386 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cc(C(N)=O)ccc3Cl)cc2[N+](=O)[O-])C1 609526753 XBZISMNYQOMZEG-CHWSQXEVSA-N 430.892 4.082 5 20 IIBD COc1ccc(I)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c1 609785595 HGLBYRWTLCXILK-UHFFFAOYSA-N 446.628 4.043 5 20 IIBD CC[C@H](CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)Cc1cccc(Br)c1 609868401 RVCAMHAXYIXTHH-AWEZNQCLSA-N 435.318 4.294 5 20 IIBD Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 609912943 RNIQSEIYVZGHAZ-UZLBHIALSA-N 437.521 4.183 5 20 IIBD COc1cc(C(=O)N[C@@H](C)Cc2ccc(C)s2)c([N+](=O)[O-])cc1OCc1cscn1 609981428 HSCXGKIZVSWBFH-LBPRGKRZSA-N 447.538 4.370 5 20 IIBD CCCCS(=O)(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 610127962 NKSXUIIHBVMPKN-CQSZACIVSA-N 437.543 4.256 5 20 IIBD O=[N+]([O-])c1cc2c(cc1CNc1cccc(CS(=O)(=O)C3CCCCC3)c1)OCCO2 610910866 DRWMFENMLSJSJR-UHFFFAOYSA-N 446.525 4.226 5 20 IIBD COc1cc(Cc2noc(-c3ccc(Cl)c(N4CCCC4=O)c3)n2)ccc1[N+](=O)[O-] 612964315 MZKNBIWPVZZZMD-UHFFFAOYSA-N 428.832 4.024 5 20 IIBD COc1cc(Br)c(COC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1OC 725935469 KIYLOMWPLPXBJY-UHFFFAOYSA-N 432.173 4.010 5 20 IIBD CC(=O)c1csc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 730353302 NINDZZWXIIQEQM-LLVKDONJSA-N 445.478 4.166 5 20 IIBD CCCCN(C)c1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 730508033 HRPAXJHYUNDUGW-JOCHJYFZSA-N 438.528 4.383 5 20 IIBD O=C(CSc1ccccc1Cl)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730706211 BFORHYGVSRAXDE-AWEZNQCLSA-N 434.901 4.188 5 20 IIBD COCCN(CCCOc1ccc(F)cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 730893717 MBNOVYCMQWLIJF-UHFFFAOYSA-N 425.844 4.337 5 20 IIBD CC(C)[C@@H](OC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)c1ccccc1 735149724 ZZTZIKJMQRVLND-HXUWFJFHSA-N 434.876 4.248 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(CSc2ccc(S(=O)(=O)N3CCCCC3)cn2)c1 735414878 HAVMAEZJCNLHCN-UHFFFAOYSA-N 427.935 4.110 5 20 IIBD O=C(Cc1csc(NC(=O)c2ccccc2)n1)OCc1ccc(Cl)c([N+](=O)[O-])c1 735900178 BKWPCENTKDLWOI-UHFFFAOYSA-N 431.857 4.243 5 20 IIBD Cc1c(C(=O)NCCc2nc3ccccc3n2C(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 736216316 PWBWEEJTHRGSLW-UHFFFAOYSA-N 425.445 4.023 5 20 IIBD C[C@@H]1C[C@@H](c2cccc(F)c2)N(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 742321531 MNLNGFGTDUHEAW-DIFFPNOSSA-N 443.294 4.268 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCN(Cc2cccc3cccnc23)CC1 742504802 KGDGHXVULQTVTR-UHFFFAOYSA-N 444.413 4.120 5 20 IIBD Cc1ccc(N2CCCC2)c(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 745051464 AQEKLRDHUJJRDV-AWEZNQCLSA-N 431.876 4.341 5 20 IIBD C[C@@H]1CN(CCNC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)CCO1 746194121 ZITZOHSRQYENDZ-GOSISDBHSA-N 428.532 4.384 5 20 IIBD O=C(OCc1nc(COc2ccc(F)cc2)no1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 747124927 GFUAENPXYFQMBX-UHFFFAOYSA-N 441.293 4.072 5 20 IIBD CCn1cc(CC(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc21 748414183 DRLZQZMMTCDUHD-ZDUSSCGKSA-N 429.860 4.336 5 20 IIBD O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1csc(-c2ccc(F)cc2)n1 750433606 KJSLVEJFRHREJK-UHFFFAOYSA-N 442.472 4.326 5 20 IIBD C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] 750576216 IZVOTKPDCVDQMO-LBPRGKRZSA-N 445.884 4.459 5 20 IIBD COc1ccc2c(c1)CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)CC2 750854751 SPXVBAHLUUKHFR-UHFFFAOYSA-N 425.666 4.218 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@@H]1C[C@H](O)c1cccs1 750997878 DZAUKENNZVYVRE-RISCZKNCSA-N 427.429 4.378 5 20 IIBD COc1cc(OCC(=O)OCc2cc(C)nc(-c3ccc(Cl)cc3)n2)ccc1[N+](=O)[O-] 751694642 AZBSROBOEVAJJR-UHFFFAOYSA-N 443.843 4.144 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CN(Cc3ccccc3)C[C@H](O)c3cccs3)n2)cc1 756055363 HYVUXMBQEHRCBC-IBGZPJMESA-N 436.493 4.442 5 20 IIBD CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)O[C@@H](C)C2 756993820 YJDJQSZOESPXTI-ULFGMLNVSA-N 430.888 4.390 5 20 IIBD CC(C)C[C@H](C)Oc1cc(CNC(=O)c2cccc([N+](=O)[O-])c2Br)ccn1 758400562 XODITTHAESZULN-ZDUSSCGKSA-N 436.306 4.496 5 20 IIBD COc1cc(OC)c(C2CCN(C(=O)c3cc(F)cc(C)c3[N+](=O)[O-])CC2)c(OC)c1 758405352 TYCRCKDATZPXHS-UHFFFAOYSA-N 432.448 4.088 5 20 IIBD Cc1cc(Br)cc([N+](=O)[O-])c1OCc1ccc(S(=O)(=O)C(F)F)cc1 759715089 UEBLFRPIHOKGFR-UHFFFAOYSA-N 436.230 4.241 5 20 IIBD O=C(CC1CCCC1)NC1CCC(C(=O)O[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 759954273 WLXYOCSKVUXMLL-TUNPWDSISA-N 446.548 4.074 5 20 IIBD O=C(O[C@H]1CCCN(Cc2ccccc2)C1=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 760508242 IVXDXDBWCTZDHG-IBGZPJMESA-N 437.477 4.066 5 20 IIBD Cc1c(I)cccc1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 760613560 FDJKTDRXBZVNFF-UHFFFAOYSA-N 430.629 4.091 5 20 IIBD COc1ccccc1[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Br)OC(C)C 770081490 PJUSZDJNKIROEX-SFHVURJKSA-N 437.290 4.262 5 20 IIBD O=C(Cc1noc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1)Nc1cccc(Cl)c1Cl 771044952 CRYQZABHRLBAEC-UHFFFAOYSA-N 438.183 4.041 5 20 IIBD O=C(CCc1nnc(-c2ccsc2)o1)OCc1ccc(Br)c([N+](=O)[O-])c1 773381424 HOLICVLSKTVSAD-UHFFFAOYSA-N 438.259 4.145 5 20 IIBD CSc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)c1[N+](=O)[O-] 777075625 XFRUOJHYEQOQPB-HNNXBMFYSA-N 443.525 4.491 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(Nc3ccc(CCN4CCSCC4)cc3)CC2)cc1 777661356 WANSAPGOBRMLGK-UHFFFAOYSA-N 426.586 4.267 5 20 IIBD O=C(O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)c1cc(OCc2ccccc2)ccn1 778805162 GLIYEORCCVDRCM-IBGZPJMESA-N 437.427 4.144 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC(O)(c2c(F)cccc2F)CC1 781042052 WETQGULFOGWARQ-UHFFFAOYSA-N 434.442 4.083 5 20 IIBD O=C(C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1)OCc1ccc([N+](=O)[O-])c(F)c1 782863485 UNEIWNWTDRUOSL-HXUWFJFHSA-N 438.411 4.044 5 20 IIBD O=C(CSc1nc2cc(Br)cnc2[nH]1)Nc1ccc(Cl)c([N+](=O)[O-])c1 786615158 JEIGGCUHAUBCIW-UHFFFAOYSA-N 442.682 4.013 5 20 IIBD CC1(c2nccc(NC(=O)C3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)n2)CC1 788125124 XXPQWHOEGQVMDR-UHFFFAOYSA-N 449.433 4.310 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2cc(C(F)(F)F)cnc2Cl)cccc1[N+](=O)[O-] 789012458 JZCQILXJHMQZLH-VIFPVBQESA-N 431.754 4.154 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 790739891 HQEQRCKJPYPAJU-UHFFFAOYSA-N 435.751 4.236 5 20 IIBD C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)c1cccc([N+](=O)[O-])c1Br 791028438 UPZBBLBPIGFNHS-LBPRGKRZSA-N 448.273 4.147 5 20 IIBD CC1=C(Br)CN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 797781505 TVWNTBGRICCXBO-UHFFFAOYSA-N 433.252 4.474 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)ccc1Cl 799926612 DFONDYPWLWINMZ-UHFFFAOYSA-N 428.747 4.129 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl 800602990 OGRXAPMPPCIGPU-SECBINFHSA-N 428.247 4.035 5 20 IIBD O=C(Nc1ccc(Br)cc1)C1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 801522572 VMQQDQDBVDDMQZ-UHFFFAOYSA-N 436.281 4.347 5 20 IIBD CCOC(=O)c1nc(-c2ccccc2)oc1COC(=O)c1cc([N+](=O)[O-])cc(C)c1F 803462312 QDSVWNHAMCQAHS-UHFFFAOYSA-N 428.372 4.231 5 20 IIBD CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 811214479 AJVHSEXYRZPEGG-INIZCTEOSA-N 445.497 4.019 5 20 IIBD C[C@@H](C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc(Br)c1 812608118 GMLYGOCRLWVDLO-SNVBAGLBSA-N 441.665 4.296 5 20 IIBD CCOC1CC(N(C)C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 813669863 UJMIHLIEWZHWDP-UHFFFAOYSA-N 431.876 4.140 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](N[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC12CCC2 813880014 ZVQJRFPJKKXBJC-KSZLIROESA-N 433.553 4.187 5 20 IIBD CN(Cc1nc(O)c2ccccc2n1)c1c([N+](=O)[O-])cnc2ccc(Br)cc12 914571319 ZWVWSPCUZBCVGQ-UHFFFAOYSA-N 440.257 4.191 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N(C)Cc2ccn(-c3ccccc3)n2)CC1 917491962 HYZAIOSXKPGMMO-UHFFFAOYSA-N 433.512 4.289 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)NCc2csc3ccccc23)cc1Br 917906475 ZCZKCZCZEPVOHC-UHFFFAOYSA-N 427.301 4.051 5 20 IIBD CCOc1ccc(CC(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cc1 918638138 PCRUNOUIGJHLES-FQEVSTJZSA-N 440.496 4.164 5 20 IIBD Cc1cc(NC(=O)[C@H](C)OC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)ccc1Br 919526637 PMEYZDCUSYNBDO-NSHDSACASA-N 446.257 4.331 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC([C@H]2C(=O)Nc3ccccc32)CC1 1253329373 IQYXGHUBKKPPAV-VBKZILBWSA-N 433.468 4.154 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(F)cc1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 1318392231 TZLYGDGIDYKLDA-UHFFFAOYSA-N 429.408 4.069 5 20 IIBD Cc1cc(Br)ccc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1N 1321766779 UZNYEQQVVYSTTP-UHFFFAOYSA-N 429.068 4.263 5 20 IIBD Cc1cccnc1CCC(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1 1790184215 FDXJMJFDZXZGQG-UHFFFAOYSA-N 447.495 4.007 5 20 IIBD Cc1cccnc1C(=O)NC1(c2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2)CCC1 1790616674 AHNWDJPNMKMARK-UHFFFAOYSA-N 446.463 4.065 5 20 IIBD Cc1cc[nH]c1C(=O)NC1(c2ccc(NC(=O)c3cccc(F)c3[N+](=O)[O-])cc2)CCC1 1790697981 HSVAZKGRIOBWLJ-UHFFFAOYSA-N 436.443 4.432 5 20 IIBD C[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C2)c1ccccc1 1801752025 HVBVVUNFELDARL-HUJKARHJSA-N 439.487 4.180 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1)c1sccc1Cl 1819954830 RIZXZZXMZKXFCI-LBPRGKRZSA-N 449.876 4.246 5 20 IIBD CCCCC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 1831467765 ZKPCFFFESMEABG-XLIONFOSSA-N 432.565 4.373 5 20 IIBD COc1cc(CSc2nncn2-c2ccccc2F)c([N+](=O)[O-])cc1OC(F)F 10535367 RSEMGNSUVHXOBC-UHFFFAOYSA-N 426.376 4.217 5 20 IIBD O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCc1csc(-c2ccccn2)n1 11650130 BPSUWPFDOIEUGO-UHFFFAOYSA-N 438.387 4.287 5 20 IIBD CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1 15390219 DKMHHZFWWPAOSC-UHFFFAOYSA-N 441.465 4.047 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 15411252 REZXITJFUKIVEO-UHFFFAOYSA-N 439.493 4.371 5 20 IIBD Cc1c(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cccc1[N+](=O)[O-] 15790632 HPDBAIHHLHAEEJ-UHFFFAOYSA-N 445.541 4.066 5 20 IIBD C[C@@H](OC(=O)c1c2ccccc2cc2ccccc12)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 15798027 DWLPKXGTOBSCGU-CQSZACIVSA-N 425.444 4.347 5 20 IIBD CC1CCN(c2ccc(C(=O)O[C@H](C)C(=O)Nc3c(F)cccc3F)cc2[N+](=O)[O-])CC1 15816552 FDBRQZVKBIBVSQ-CQSZACIVSA-N 447.438 4.293 5 20 IIBD O=C(NCc1ccco1)Nc1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 21209173 NXPUJUOOWVPDKT-UHFFFAOYSA-N 435.440 4.336 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](Oc1cccnc1[N+](=O)[O-])c1ccccc1 22027540 WHYAMFGECKOITN-QGZVFWFLSA-N 428.788 4.310 5 20 IIBD CCOc1ccc(CCC2CCN(C(=O)COc3ccc(C=O)cc3[N+](=O)[O-])CC2)cc1 23632359 GREHOJSPCCYGKC-UHFFFAOYSA-N 440.496 4.056 5 20 IIBD CCOc1ccc(-c2nc(COC(=O)c3cc([N+](=O)[O-])ccc3OC)cs2)cc1OC 27800368 YWEFZDPOHNWLQR-UHFFFAOYSA-N 444.465 4.491 5 20 IIBD CCNc1ccc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 28416358 UTHLLWLUEGCSBJ-UHFFFAOYSA-N 425.272 4.044 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])cn1)N(Cc1ccc(F)cc1)c1nc(-c2ccccc2)cs1 28440467 FXFPAZXFAMQPIO-UHFFFAOYSA-N 437.456 4.287 5 20 IIBD Cc1c(NC(=O)[C@@H](C)Sc2nnc(N3CCC(C)CC3)n2C2CC2)cccc1[N+](=O)[O-] 28743101 XJHZRCGBUHEMGH-OAHLLOKOSA-N 444.561 4.185 5 20 IIBD CC(C)Cn1nnnc1S[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 29593734 GLIQMEMYWJZVNY-KRWDZBQOSA-N 446.920 4.363 5 20 IIBD CCCN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@@H](C)C(=O)Nc1ccccc1 60331216 HPSMOAMSKJEKEN-IBGZPJMESA-N 441.531 4.421 5 20 IIBD CCCN1CCC(N(C)C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 64310399 YLSOBQCISIILCG-QGZVFWFLSA-N 425.533 4.109 5 20 IIBD CC(=O)c1cc2c(cc1NC(=O)c1ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c1)OCO2 64689346 STSULUKKBHEROA-CYBMUJFWSA-N 448.435 4.347 5 20 IIBD Cn1cc(C(=O)Nc2cccc(OCc3ccccn3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 64865902 PVZNOWMAJFJSFU-UHFFFAOYSA-N 429.436 4.222 5 20 IIBD O=C(Nc1ccccc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 109270984 YJOIKSHVDSRDGB-UHFFFAOYSA-N 427.420 4.285 5 20 IIBD O=C(c1ccccc1)c1ccc(N2CCc3c(cccc3N3CCOC3=O)C2)c([N+](=O)[O-])c1 301422059 DFNKJJXSFMPUAN-UHFFFAOYSA-N 443.459 4.345 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1cn(-c2ccccc2)nc1-c1ccccc1 302715114 MQOADZZGOMTSMV-UHFFFAOYSA-N 448.504 4.463 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCCN2c3ccccc3C[C@@H]2C)cc1[N+](=O)[O-])c1ccccn1 303060065 LNFCZKAONUEFIL-ROUUACIJSA-N 445.523 4.344 5 20 IIBD COCCCN(Cc1ccncc1)C(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 303252412 BDFRIZNZQWLQPX-RTBURBONSA-N 440.544 4.151 5 20 IIBD CC(C)c1ccc(CCCNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 303617660 CQNXEUGNXHVQCD-SFHVURJKSA-N 429.542 4.133 5 20 IIBD CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 304103505 YKLAWAAYMQMENX-UHFFFAOYSA-N 438.509 4.436 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC1(c2cccc(F)c2F)CCCC1 426516603 ODMUWATXXLJHCS-UHFFFAOYSA-N 431.439 4.057 5 20 IIBD COc1cc(CNC[C@H]2CC[C@H](C(=O)O)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 426693946 ABBYRKITPZKHEV-RUCARUNLSA-N 428.485 4.163 5 20 IIBD COCCN(Cc1cc(Br)cs1)C(=O)CCc1cccc([N+](=O)[O-])c1 427726009 DECWZRZKUMCYAX-UHFFFAOYSA-N 427.320 4.027 5 20 IIBD O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)s1 427971283 KGURUEXVYMPSMH-UHFFFAOYSA-N 438.465 4.335 5 20 IIBD COCCOc1c(Cl)cc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)cc1Cl 430787561 HUBPDGHLUCXFFV-UHFFFAOYSA-N 429.256 4.253 5 20 IIBD C[C@H]1C[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCN1Cc1ccccc1 431408155 UEOWZUOXEJEOCU-HOCLYGCPSA-N 434.443 4.371 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2nnc([C@H]3CCCc4ccccc43)s2)cc1[N+](=O)[O-] 432538649 OLZXFLSMKHZWCH-INIZCTEOSA-N 430.511 4.024 5 20 IIBD O=C1[C@@H](Nc2cccc(C(=O)N3CCc4ccccc43)c2)CCN1c1cccc([N+](=O)[O-])c1 433694048 LTCDSYGPSUWZPZ-QFIPXVFZSA-N 442.475 4.015 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1C(=O)N(C)C 434170566 RVHJEMJTPIOPDG-IYBDPMFKSA-N 438.528 4.340 5 20 IIBD Cn1ccnc1[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccccc1F 435938711 SDJKMNSODSZKCU-QFIPXVFZSA-N 426.451 4.073 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1 437732602 MURDSXCIGOETFH-CKFHNAJUSA-N 449.429 4.342 5 20 IIBD C[C@H](Nc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)O)c1)c1ccccc1 443527172 GYIOFNQMCNRCKH-AWEZNQCLSA-N 441.465 4.267 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCO[C@@H](Cc2ccccc2)C1 444292796 SMXJGCJWUXYYOR-SFHVURJKSA-N 434.442 4.043 5 20 IIBD O=C(Cc1noc(-c2n[nH]c3ccc([N+](=O)[O-])cc23)n1)Nc1cc(Cl)cc(Cl)c1 445366888 BKLWGKXVZWOLOB-UHFFFAOYSA-N 433.211 4.009 5 20 IIBD O=C(Cc1noc(-c2c[nH]c3cc([N+](=O)[O-])ccc23)n1)Nc1ccccc1C(F)(F)F 445420343 VMWUHHNLLLNLOU-UHFFFAOYSA-N 431.330 4.326 5 20 IIBD O=C(CCCc1cc(Cl)sc1Cl)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 446313980 UKZLJAAGSOXUCO-LBPRGKRZSA-N 429.329 4.394 5 20 IIBD CCCN(Cc1ccccc1Br)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 446904037 HNWPAYCGXZVRSQ-UHFFFAOYSA-N 446.305 4.355 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2c(ncn2CCc2ccccc2)C1 462767762 NWCOPEUSGGCPJL-NRFANRHFSA-N 432.524 4.188 5 20 IIBD COc1cc(OC)cc(-c2cccc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)n2)c1 462845111 ZXIXWQSQYQLJPC-UHFFFAOYSA-N 445.435 4.112 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)[C@@H]1SCCc2sccc21)c1ccccc1[N+](=O)[O-] 463445237 UDZQFAGJSPGJHS-HNAYVOBHSA-N 434.539 4.186 5 20 IIBD CCCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1cc(OC)c(F)cc1[N+](=O)[O-] 463478078 GUXIEIMRMOJSRF-UHFFFAOYSA-N 429.370 4.011 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)c2ncccc12 463804091 YORIJWSWIMQXFS-UHFFFAOYSA-N 447.432 4.147 5 20 IIBD C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464785595 QMSNQFTZPLZNDJ-CQSZACIVSA-N 437.418 4.484 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 465023612 AMXHZUMVSRTUKK-UHFFFAOYSA-N 430.420 4.091 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](c2cccc(F)c2)C2CCCC2)cc1OC 465521049 IKBWKIUFEIVHGD-QFIPXVFZSA-N 446.475 4.429 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@]2(C)CCO[C@@H]2C2CC2)cc1 466844628 WTHWAATVJAZPBD-GGAORHGYSA-N 426.469 4.331 5 20 IIBD C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 474738553 MXSKEOHAUZSDPO-STQMWFEESA-N 435.933 4.090 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)c2c(F)cccc2Cl)ccc1[N+](=O)[O-] 477281827 WKQGXAFXMCYMBS-SCLBCKFNSA-N 433.867 4.178 5 20 IIBD COc1cc(CNCCc2nn(C)c3ccccc23)c([N+](=O)[O-])cc1OCc1ccccc1 479394434 NUNLUIUEWYUUNL-UHFFFAOYSA-N 446.507 4.401 5 20 IIBD CCn1c(SC[C@H](O)COc2c(C)ccc(C)c2C)nnc1-c1ccc([N+](=O)[O-])cc1 480369999 DPTUWGUGQWXJKL-LJQANCHMSA-N 442.541 4.330 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 481903771 YDVLECUTJWAXEA-XUZZJYLKSA-N 432.524 4.063 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1 484001408 IVAWILRJOPDUMX-UHFFFAOYSA-N 441.875 4.494 5 20 IIBD COc1ccccc1-c1nc(C2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)no1 484767213 OICSIWWRQRZABT-UHFFFAOYSA-N 437.456 4.373 5 20 IIBD CCc1c(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cnn1-c1ccc(Cl)cc1 486394253 BELOVDINROGVCQ-UHFFFAOYSA-N 430.848 4.266 5 20 IIBD COC[C@@H](c1ccc(Cl)cc1)N(C)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] 486510919 TYXCHGWSAVKPNI-IBGZPJMESA-N 428.876 4.037 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1CN1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 486823542 KDHUKMBHGMRYTB-QVKFZJNVSA-N 425.876 4.247 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 487295464 FPFLKRUOHWQTAG-BQFCYCMXSA-N 431.920 4.042 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N2CCSC[C@H](C)C2)cc1[N+](=O)[O-] 489526655 UXCCSIUHDMCZGC-CQSZACIVSA-N 430.551 4.373 5 20 IIBD Cn1cc(C(=O)NCc2ccnc(Oc3ccccc3F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 489655578 MTXXFHABEWZMDO-UHFFFAOYSA-N 447.426 4.252 5 20 IIBD CCCOc1c(Cl)cc(C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC 490342985 JFOJOLQIJWXITG-UHFFFAOYSA-N 431.836 4.083 5 20 IIBD Cc1nc(C2(NC(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)CCCCC2)no1 492574675 XSNCPYYGLNBERP-UHFFFAOYSA-N 435.484 4.488 5 20 IIBD Cc1ccc(-n2cnnc2SCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1C 501998404 JFQVQEJWCVONNV-UHFFFAOYSA-N 439.541 4.322 5 20 IIBD CC(C)(C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1csc(-c2cccs2)n1 503623117 YTBSSSZTNOVQMD-ZDUSSCGKSA-N 443.554 4.165 5 20 IIBD Cc1sc(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)nc1-c1c[nH]c2ncccc12 503896620 CSFQNIQRLVTNEH-UHFFFAOYSA-N 446.448 4.409 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(Cc3ccc(NS(=O)(=O)c4cccs4)cc3)n2)c1 504990364 FQGRXVJZYJFMCC-UHFFFAOYSA-N 442.478 4.098 5 20 IIBD O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 505439641 HYTOPRHWTGKLHS-INIZCTEOSA-N 426.301 4.092 5 20 IIBD O=[N+]([O-])c1cc(F)c(CSc2nnc(CN3CCCC3)n2-c2ccccc2)c(F)c1 505454874 DRARNXZEUOLUJE-UHFFFAOYSA-N 431.468 4.342 5 20 IIBD Cc1cc(OCC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)c(Cl)cc1[N+](=O)[O-] 506553528 BHZZQMAPQKMTJW-MRXNPFEDSA-N 429.816 4.499 5 20 IIBD CCn1c(SCc2nc3ccccc3n(C)c2=O)nc2cc3ccccc3cc2c1=O 508723072 ZUSGPJURDFHWOV-UHFFFAOYSA-N 428.517 4.109 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 509452740 LHOHBDCIAJNQBU-RSAASHCRSA-N 428.270 4.301 5 20 IIBD COc1cc(C(=O)NCc2ccc(OCc3cccc(C)c3)cc2)c([N+](=O)[O-])cc1OC 509472044 YZDJWVSVWIAMNU-UHFFFAOYSA-N 436.464 4.429 5 20 IIBD Cc1nnc(Sc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)c(C)c2)s1 509543099 UZBNXJNZXZOVKH-UHFFFAOYSA-N 436.540 4.324 5 20 IIBD CCn1c([C@H]2CCCN2S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)nc2ccccc21 509666156 OJYXYEIMSVBBFT-LJQANCHMSA-N 428.514 4.107 5 20 IIBD O=C(NCc1ccc(-n2ccnc2)c(F)c1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 516767713 PSLJDXWCDXTKJG-UHFFFAOYSA-N 445.454 4.462 5 20 IIBD COc1ccc(S(=O)(=O)N(Cc2cccc(C(F)(F)F)c2)C(C)C)c([N+](=O)[O-])c1 519890836 RVFYQISLCRYKOJ-UHFFFAOYSA-N 432.420 4.222 5 20 IIBD Cc1[nH]nc(C(=O)Nc2cccc(NC(=O)Nc3cccc4c3CCCC4)c2)c1[N+](=O)[O-] 520913785 UFFMVFFZZNJFMM-UHFFFAOYSA-N 434.456 4.401 5 20 IIBD C[C@H](CNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(C)Cc1ccccc1 521096449 LGZWGMIHIXNZGA-CQSZACIVSA-N 441.475 4.342 5 20 IIBD O=C(COC[C@H]1CCCO1)Nc1cc([N+](=O)[O-])ccc1Nc1cccc(C(F)(F)F)c1 522182798 UQIDHDKRNWVHQF-MRXNPFEDSA-N 439.390 4.491 5 20 IIBD COc1ccc(CC[C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1OC 522368639 APSRKDNMTOKRRU-SFHVURJKSA-N 428.485 4.248 5 20 IIBD C[C@@H](Cn1ccnc1)NC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 522767042 HQKOFTXFRHQJPF-ZDUSSCGKSA-N 447.854 4.264 5 20 IIBD COc1cc(CCNC(=O)Nc2ccc3oc(C(C)C)nc3c2)c([N+](=O)[O-])cc1OC 522784676 KASQMPGFEUSIJL-UHFFFAOYSA-N 428.445 4.241 5 20 IIBD O=C(Nc1ccn(CCc2ccncc2)n1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 523357206 GFUNJIPXHYCXFA-UHFFFAOYSA-N 429.436 4.474 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(n2cc(Br)cn2)CC1 524687503 QOCIRCFGRHXGLN-UHFFFAOYSA-N 428.674 4.076 5 20 IIBD Cc1ccc(S(=O)(=O)N(C)CC2(c3ccc(Br)cc3)CC2)cc1[N+](=O)[O-] 524945446 WJBBBSXYCMTZFJ-UHFFFAOYSA-N 439.331 4.018 5 20 IIBD COC(=O)[C@@H]1CN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c2ccccc21 530455845 BJZAHZOZAXSANM-CRAIPNDOSA-N 446.463 4.080 5 20 IIBD COc1cc(CNc2ccn(Cc3ccccc3)n2)c([N+](=O)[O-])cc1OCC(F)(F)F 531864368 ZPVNLHOJDPXARE-UHFFFAOYSA-N 436.390 4.401 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)cc1[N+](=O)[O-])c1ccccn1 532163584 XMIQHEKMFSDBEB-BEFAXECRSA-N 440.500 4.109 5 20 IIBD O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 533941338 ITQDORHAWPKQHW-UHFFFAOYSA-N 445.397 4.157 5 20 IIBD CCCOc1ccccc1NC(=O)c1cc(I)cc([N+](=O)[O-])c1 534286238 PGRUWPSQIBCTOJ-UHFFFAOYSA-N 426.210 4.241 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@@H](c2nc3ccccc3s2)C1 534997355 CECDHGUTMOSTLO-OAHLLOKOSA-N 433.493 4.410 5 20 IIBD C[C@@H]1CCCC[C@@H]1OCCNC(=O)CSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 535506605 FBGNLHZQMYHYOA-BEFAXECRSA-N 433.530 4.195 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)CCC1CCN(c2ccncc2)CC1 536702043 ANBFCXKRJVSFJW-QGZVFWFLSA-N 436.516 4.339 5 20 IIBD CCc1ccc(C2=CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1 537888513 LTYFTWMFILNNKZ-IBGZPJMESA-N 439.537 4.139 5 20 IIBD CCOc1cc(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)n2)c([N+](=O)[O-])cc1OCC 538846930 HXBAEMKFGLVMJE-UHFFFAOYSA-N 440.456 4.147 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 539766233 LXZVVYDSBJFGKS-OAHLLOKOSA-N 428.493 4.181 5 20 IIBD CCCCOc1ccc([C@H](C)NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1OC 540369859 FJKFPBRRHXLNOF-INIZCTEOSA-N 427.501 4.022 5 20 IIBD COc1c(NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cccc1C(N)=O 541993544 WXWKHLMQZQBNEJ-UHFFFAOYSA-N 443.463 4.167 5 20 IIBD COC(=O)[C@@H](NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)cc1Cl 542533287 LLKHZRDJOWBLNF-ABKXIKBNSA-N 429.231 4.175 5 20 IIBD C[C@H](C(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1)c1ccc([N+](=O)[O-])cc1F 543479851 DAGFVTPLVLCMLX-NSHDSACASA-N 438.377 4.376 5 20 IIBD COc1ccc(Sc2nsc(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)n2)cc1 543484363 FQBVYWXHXMOBGG-SNVBAGLBSA-N 434.474 4.487 5 20 IIBD COc1ccc2oc([C@H](C)NCCC(=O)Nc3cc([N+](=O)[O-])ccc3OC)c(C)c2c1 544478032 KGGKCTCMLHQNIL-AWEZNQCLSA-N 427.457 4.346 5 20 IIBD Cc1sc2nc(Cc3noc(/C=C/c4ccc(F)cc4[N+](=O)[O-])n3)nc(O)c2c1C 544912853 WZMVJVQBVCXEOY-GQCTYLIASA-N 427.417 4.205 5 20 IIBD Cc1cc(Cc2noc(Cc3csc(-c4ccc5c(c4)OCO5)n3)n2)ccc1[N+](=O)[O-] 545077743 PHGCNGMLRQTHSK-UHFFFAOYSA-N 436.449 4.320 5 20 IIBD COc1ccc(-c2nc(C(=O)N(C)CCc3cccc([N+](=O)[O-])c3)cs2)cc1OC 549085397 HHZZWKJPBFLSNC-UHFFFAOYSA-N 427.482 4.050 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)NCC2(CC)CCN(Cc3ccccc3)CC2)c1 549293394 ILJPDVNYYJCYQT-UHFFFAOYSA-N 425.529 4.416 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](NC(=O)c3ccc4ccccc4c3)C2)c1 549293946 FXSVOUIRSUXUNL-FQEVSTJZSA-N 447.491 4.181 5 20 IIBD CSc1ccc(C(=O)Nc2ccc3c(c2)N(CC(F)F)C(=O)CS3)cc1[N+](=O)[O-] 551681059 DYWDBFSZLFSZBJ-UHFFFAOYSA-N 439.465 4.273 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1c(C)c(C(C)(C)C)nn1-c1ccccc1 552845192 PKGBFTCJXHWIFG-UHFFFAOYSA-N 428.514 4.496 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3CCCCN3C(=O)c3cccs3)n2)c1 554825789 HXTRSRCOGLGNTG-INIZCTEOSA-N 428.470 4.006 5 20 IIBD Cn1cc(CN(CCc2ccccn2)Cc2ccncc2)c(-c2ccc([N+](=O)[O-])cc2)n1 558420800 VHUGSMAFSCUPHL-UHFFFAOYSA-N 428.496 4.030 5 20 IIBD CSc1cccc(C(=O)Nc2cccc(F)c2Cn2cccc(C)c2=O)c1[N+](=O)[O-] 564225484 HDXBIKZNWLDRQM-UHFFFAOYSA-N 427.457 4.227 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl 564445441 FWYSXMLJRGZGQW-CYBMUJFWSA-N 428.272 4.025 5 20 IIBD O=C(Nc1ccc(OC(F)F)c2cccnc12)N1CCOc2ccc([N+](=O)[O-])cc2C1 565508926 FRGPZHZKUYIPJW-UHFFFAOYSA-N 430.367 4.171 5 20 IIBD COc1cc2c(cc1Cl)CN(C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)CC2 566030767 KKERNSDCCFQQGE-UHFFFAOYSA-N 436.917 4.084 5 20 IIBD Cc1ccc([C@H](c2noc(-c3ccc(N4C(=O)CCC4=O)c([N+](=O)[O-])c3)n2)C(C)C)cc1 568327038 HVNUTJLWKDSSKN-OAQYLSRUSA-N 434.452 4.395 5 20 IIBD CCC[C@@H](NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C)c1cccc(C(F)(F)F)c1 568896382 VGSUXSMAWUPSKE-QGZVFWFLSA-N 437.418 4.196 5 20 IIBD C[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)c1cccc([N+](=O)[O-])c1 577697538 RVCQDMFVRCLAHU-SJKOYZFVSA-N 436.295 4.317 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CN[C@H](CCO)c2ccc(Cl)cc2)c1 578700733 FAACYMMMWHYHLO-MRXNPFEDSA-N 446.672 4.066 5 20 IIBD O=[N+]([O-])c1ccc2nc(CNCc3cc(Br)cc(Br)c3)[nH]c2c1 579821337 QLOQETVWGGCGDJ-UHFFFAOYSA-N 440.095 4.286 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)cc([N+](=O)[O-])c1 580109354 SRGXGNYKFZTRAW-SFHVURJKSA-N 434.901 4.432 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(NCc3cccc(-c4nc(CC(F)(F)F)no4)c3)cc2N1 581044312 BTAUYONZEGPZHG-UHFFFAOYSA-N 447.373 4.246 5 20 IIBD O=C(NCC1=CCCOC1)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 582751343 ZZHWAVOJGJHDFD-UHFFFAOYSA-N 427.507 4.432 5 20 IIBD O=C(CNc1cc([N+](=O)[O-])ccc1Nc1cccc(C(F)(F)F)c1)NCC(F)(F)F 602384640 CFYZBSHKYJUMSZ-UHFFFAOYSA-N 436.312 4.448 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 603569070 SFUZBKQQUCOIQX-GOSISDBHSA-N 436.295 4.165 5 20 IIBD O=C(N[C@H]1CCN2CCC[C@@H]2C1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 603919637 SXOCEDWWWKJBKM-ZWKOTPCHSA-N 428.920 4.217 5 20 IIBD Cc1sc(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)nc1-c1cccc([N+](=O)[O-])c1 603997396 ZEYXYZSKJFUPJV-AWEZNQCLSA-N 440.456 4.157 5 20 IIBD CC(C)CNC(=O)c1ccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1Cl 604004399 MYWNSPZUPOEJTD-UHFFFAOYSA-N 441.875 4.072 5 20 IIBD CCc1c(-c2ccncc2)n[nH]c1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 604459365 JSBNKDJODJTGKJ-UHFFFAOYSA-N 448.405 4.402 5 20 IIBD CNc1ccc(C(=O)N2CCC[C@H]2c2cc(Br)ccc2OC)cc1[N+](=O)[O-] 608777953 JFOSZBHFGOLPMV-INIZCTEOSA-N 434.290 4.385 5 20 IIBD COc1cc(CNCCc2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1OCc1ccccc1 608781873 ZIZSGJGPUNULLF-UHFFFAOYSA-N 436.464 4.243 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@H](C)c2ccccc2C(F)(F)F)ccc1[N+](=O)[O-] 608806550 PTQPZMHADOVWMW-AUUYWEPGSA-N 449.429 4.404 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCc2sccc2[C@H]1c1cccs1 608935235 NEZHDDVBHVQVQQ-SFHVURJKSA-N 428.491 4.277 5 20 IIBD CCCc1[nH]nc(C(=O)NCCCCSc2ccccc2Br)c1[N+](=O)[O-] 609680590 HNIAVYABHGFVKE-UHFFFAOYSA-N 441.351 4.335 5 20 IIBD CCc1ccc([C@@H](C)NC(=O)CSCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cc1 609770871 RTWOZTSCDSSQKK-OAHLLOKOSA-N 443.525 4.066 5 20 IIBD Cc1cc(CN2CCN(C(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)CC2)on1 609773900 IVBGCTXTARNQPW-UHFFFAOYSA-N 437.456 4.033 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1 610038610 YQMODAGWXNZHMT-QGZVFWFLSA-N 435.274 4.170 5 20 IIBD CCOc1ccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1OCC 610317700 ASGYQUZRLCJETD-UHFFFAOYSA-N 429.473 4.468 5 20 IIBD O=C(NCc1ccncc1)Nc1cccc(CNCc2ccc([N+](=O)[O-])cc2Cl)c1 612181095 FTOKGVBKDOEKAT-UHFFFAOYSA-N 425.876 4.255 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 619468310 ROCXXWJSZJYPSO-UHFFFAOYSA-N 442.318 4.024 5 20 IIBD Cc1ccc(-c2csc(NC(=O)C3CCN(C(=O)OCC(C)C)CC3)n2)cc1[N+](=O)[O-] 726139552 VYWFRMIWBYPQNW-UHFFFAOYSA-N 446.529 4.470 5 20 IIBD O=C1CN(CN(Cc2ccc(F)cc2F)C2CCCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 726590336 YFDWUGIHDSVJRX-UHFFFAOYSA-N 444.438 4.044 5 20 IIBD COc1ccc(CCN(Cc2ccccc2)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 727090966 OUMHXFQBNKOTGF-UHFFFAOYSA-N 435.436 4.397 5 20 IIBD CSc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cc1 727329410 KBIYRPIGCMOJHX-UHFFFAOYSA-N 425.432 4.298 5 20 IIBD CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 727567012 UKXWWBAXWVAZJU-ZIAGYGMSSA-N 428.441 4.064 5 20 IIBD O=C(COC(=O)c1c[nH]nc1C1CCCCC1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 727891292 RMTRBPOEUPEIGE-UHFFFAOYSA-N 440.378 4.180 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@H](Cn3ccnc3)C(C)(C)C)cc2[N+](=O)[O-])C1 729337885 LUFDHXFBXRBQER-LLGFUMIMSA-N 427.549 4.118 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 730612015 KTVBZVCKTLWYNB-KBPBESRZSA-N 439.251 4.196 5 20 IIBD O=C(COC(=O)CCc1cc(Br)cs1)Nc1ccc(Cl)cc1[N+](=O)[O-] 730647268 XVYXEZDIFDXIAS-UHFFFAOYSA-N 447.694 4.187 5 20 IIBD CN(C(=O)[C@@H]1C[C@H]1c1cccc2ccccc12)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 730920378 LRWYWZSDIPHXHX-ZWKOTPCHSA-N 444.896 4.352 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)cc2)nc1 733637230 HJVHGWCTCFUWQQ-UHFFFAOYSA-N 433.468 4.445 5 20 IIBD Cn1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)c1=O 733959926 PRRLQFFXOFVVEK-UHFFFAOYSA-N 446.507 4.005 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])OCc1nnc(-c2ccc(Cl)cc2)o1 735009994 VCQKKWYANJMGER-UHFFFAOYSA-N 438.223 4.464 5 20 IIBD O=C(OCc1ccc(OCc2ccncc2)cc1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 735353319 FWSFZNNANIPYFJ-UHFFFAOYSA-N 431.404 4.180 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(Br)cc1F 741604849 UTIXTNAJBRBZNZ-UHFFFAOYSA-N 431.601 4.189 5 20 IIBD CCN(c1ccccc1)c1ccc(CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1 741997722 GEXDXSFKHXJNGE-UHFFFAOYSA-N 429.480 4.419 5 20 IIBD CC(C)=CC(=O)NCc1ccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)cc1 742667753 YELOIRYCTVTRTM-UHFFFAOYSA-N 449.429 4.382 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@H]3C[C@]34CCc3ccccc34)CC2)ccc1[N+](=O)[O-] 744204546 PMGJJMRECMHUIA-BWKNWUBXSA-N 436.508 4.410 5 20 IIBD Cc1ccc(CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)c2ccc3nc(O)[nH]c3c2)cc1 744406531 KEINPMMLYWYQAR-UHFFFAOYSA-N 445.479 4.439 5 20 IIBD CCN(CC)c1nc2sc(C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2s1 744556263 PQHSYASPWISKFT-NSHDSACASA-N 448.526 4.296 5 20 IIBD CCOc1cc(C(=O)O[C@@H](C)c2nc(-c3ccccc3C)no2)c([N+](=O)[O-])cc1OC 746059740 DTDBEGDYJAXHRB-ZDUSSCGKSA-N 427.413 4.279 5 20 IIBD COc1sc(/C=C2/N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1Br 746520945 APLBEPZVWBLKBZ-IZZDOVSWSA-N 443.662 4.425 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])OCCCc1ccc(C(F)(F)F)cc1 748892177 DXTNYMHENIKXQE-UHFFFAOYSA-N 444.793 4.173 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1I)N(CC(F)F)c1ccccc1 749142978 ULUYDKUFAQYXJH-UHFFFAOYSA-N 432.164 4.111 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cccc2c1CCN2C(=O)OC(C)(C)C 753908794 NURLJLVGDUDNJL-UHFFFAOYSA-N 442.472 4.223 5 20 IIBD C[C@@H](OC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)N(C)Cc1c(F)cccc1Cl 755065335 PSAHGAHJUHSFFQ-VXGBXAGGSA-N 440.830 4.220 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)OC[C@H]1CCC(=O)N(C)[C@@H]1c1cccc(Cl)c1 755784516 FYICTVINDUULKS-JLTOFOAXSA-N 432.860 4.023 5 20 IIBD COC1CCC(OC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)CC1 757939492 FMWDXNYABLOMRZ-UHFFFAOYSA-N 426.469 4.006 5 20 IIBD CC(=O)NCCc1ccc(C(=O)[C@@H](C)Sc2nc3ccc([N+](=O)[O-])cc3s2)cc1 758478209 UFPXPWAEGMOXGS-GFCCVEGCSA-N 429.523 4.247 5 20 IIBD O=C(CCc1cc(Br)ccc1F)OCc1cc([N+](=O)[O-])cc2c1OCOC2 758642862 ZYYMYXYDFHLAKB-UHFFFAOYSA-N 440.221 4.039 5 20 IIBD CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] 764588795 FJEVLTVQARWHKP-GUYCJALGSA-N 436.917 4.404 5 20 IIBD COc1cc(COC(=O)Cc2ccccc2NC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1F 766217217 DCQNAHIMHYXXPU-UHFFFAOYSA-N 434.420 4.375 5 20 IIBD CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2cnc(C3CCCC3)s2)NC(=S)N1 767866402 BLMKVVKMNPLDMG-KRWDZBQOSA-N 443.554 4.140 5 20 IIBD Cc1cccc(-c2cncc(C(=O)OCC3CCN(c4ccc([N+](=O)[O-])cn4)CC3)c2)c1 768775440 NCNJTGKHCJSMRH-UHFFFAOYSA-N 432.480 4.434 5 20 IIBD Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 771467382 DUBMLNBYXVSLHY-SFHVURJKSA-N 439.903 4.452 5 20 IIBD CN(C(=O)[C@@H]1CC(c2c(F)cccc2F)=NO1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 775495554 KKETZKKRVPSUDL-KRWDZBQOSA-N 444.419 4.153 5 20 IIBD CCOc1ccc(NC(=O)CN[C@H](C)c2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])c1 775555033 ZVFHWGZCJDVTDD-GFCCVEGCSA-N 427.379 4.181 5 20 IIBD C[C@H]1[C@H](C)N(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1C(=O)OC(C)(C)C 776514115 UYGGDWAUMXFHSM-KBPBESRZSA-N 446.529 4.188 5 20 IIBD Cc1ccc(-c2cnc(CCC(=O)O[C@@H]3CCN(c4ccc([N+](=O)[O-])cc4F)C3)o2)cc1 778811310 QZAMEUSLMLOQOH-GOSISDBHSA-N 439.443 4.452 5 20 IIBD COc1cc(COC(=O)[C@H]2CSc3ccccc32)c([N+](=O)[O-])cc1OCC(F)F 780067174 IYIVJQRIIQJYFS-ZDUSSCGKSA-N 425.409 4.180 5 20 IIBD CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1C 781259514 FVOSCJHVUQUKBQ-HNNXBMFYSA-N 430.460 4.257 5 20 IIBD C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 781261433 UZJOTHATAWIIOP-JKSUJKDBSA-N 426.472 4.204 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)NCc2ccc3ccccc3c2)cc1[N+](=O)[O-] 784712110 HLUHOAHHTDNXHQ-UHFFFAOYSA-N 442.269 4.074 5 20 IIBD CCOc1ccc(-c2nc(COC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)co2)cc1 785675500 HVOMHGIOWQPLSP-UHFFFAOYSA-N 434.408 4.191 5 20 IIBD COc1ccc(C(=O)N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)cc1[N+](=O)[O-] 787666789 XJGZSROKHVJLTP-UHFFFAOYSA-N 432.476 4.394 5 20 IIBD COc1cccc([C@H](C)CCCC(=O)NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 789391061 XPNUWCNQLDXYTK-CYBMUJFWSA-N 440.905 4.036 5 20 IIBD Cc1cc[n+](/C(C(=S)NCCc2ccc(F)cc2)=C(/O)c2ccc([N+](=O)[O-])cc2)cc1 789423177 IJOZIVBYVPNBPG-UHFFFAOYSA-O 438.504 4.373 5 20 IIBD Cn1cc(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c(C2CCCCC2)n1 791236374 WIFMHSFIJOEYST-UHFFFAOYSA-N 447.333 4.337 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(CC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)nc1 791654756 MHSIGXLPDUVLII-UHFFFAOYSA-N 426.473 4.071 5 20 IIBD CC(C)(Oc1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 792484280 GCHKBGTYMBYVFH-UHFFFAOYSA-N 427.240 4.241 5 20 IIBD CC(C)(C)OC(=O)N1CCOc2ccc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])cc2C1 794828691 VADGEFUDYRFLBG-UHFFFAOYSA-N 431.420 4.116 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 794868233 UITXQEBGFOBLKG-UHFFFAOYSA-N 445.409 4.105 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1nn(-c2ccc(F)cc2)cc1Br 800145171 DROPRPWWUNYOGB-UHFFFAOYSA-N 437.200 4.382 5 20 IIBD CC[C@@H](C)[C@@H](C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccccc1 800734493 QTDKVOSPZRSPFS-IVZQSRNASA-N 442.468 4.068 5 20 IIBD COc1c([N+](=O)[O-])cc(NCCC2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1Br 801674934 ZHFASAUDTNOCPP-UWVGGRQHSA-N 432.271 4.280 5 20 IIBD O=C(N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 804749921 YTNVYSGFUBCZJD-SFHVURJKSA-N 444.356 4.223 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccnc(-c2ccc(Cl)cc2)n1 805658381 BLIAZCHPZGQRCU-UHFFFAOYSA-N 437.799 4.112 5 20 IIBD C[C@H](Cc1cncc2ccccc12)C(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 805871827 NBJYYBRGBUCXRB-QGZVFWFLSA-N 434.496 4.176 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)C(=O)NCc1ccccn1 805959019 CMWSSAMWEKKHFO-OAHLLOKOSA-N 437.477 4.003 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 809920510 UAFADTDSNMQMBP-OAHLLOKOSA-N 435.868 4.284 5 20 IIBD C[C@H](OC(=O)[C@H]1CCN(c2ccccc2Cl)C1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 811417273 RRHVGHIWFGDBFA-ZFWWWQNUSA-N 442.859 4.429 5 20 IIBD O=C(NC[C@@H]1CCCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C1)C(F)(F)F 811856362 JCUPOYXMKAWOGA-QMMMGPOBSA-N 433.736 4.162 5 20 IIBD CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)c1 813243891 DHGYCIDZSCHURL-UHFFFAOYSA-N 446.312 4.231 5 20 IIBD O=C(COC(=O)CCc1cccc(Br)c1)Nc1ccc([N+](=O)[O-])cc1Cl 849208835 CFEDEMRERSMDCG-UHFFFAOYSA-N 441.665 4.125 5 20 IIBD CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)OC(=O)CSc1ccc([N+](=O)[O-])cc1 852582971 OTBLCZGSQKWBPD-ZDUSSCGKSA-N 442.449 4.206 5 20 IIBD CCOc1ccc(N2C(=O)/C(=C\Nc3ccc([N+](=O)[O-])cc3O)c3ccccc3C2=O)cc1 912742065 FIJWMJIAQMXOMY-ZHZULCJRSA-N 445.431 4.339 5 20 IIBD O=C(NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(-c2nc3ccccc3s2)s1 915818491 SODXRAKHFMNWBV-UHFFFAOYSA-N 445.503 4.052 5 20 IIBD O=C(NS(=O)(=O)c1ccccc1F)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 916806209 QKZSZOLFUMQYCN-UHFFFAOYSA-N 432.454 4.004 5 20 IIBD Cc1ccc(-c2nc(C)sc2CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 928996188 YMJXTWJPPSQIQL-UHFFFAOYSA-N 436.537 4.226 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2ccc(F)c(NC(=O)OC(C)(C)C)c2)c1[N+](=O)[O-] 1116745498 QOMNABVDKWNORD-UHFFFAOYSA-N 439.465 4.499 5 20 IIBD CCCOc1cc(NC(=O)[C@@H]2CC(=O)N(C)c3ccccc32)c([N+](=O)[O-])cc1OCCC 1318087069 JERFTZGVJLQDGJ-MRXNPFEDSA-N 441.484 4.261 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCCN(Cn3ncc4ccc([N+](=O)[O-])cc43)C2)CC1 1320628964 DYIPMOKBHSXCTL-UHFFFAOYSA-N 429.521 4.015 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccco4)cc3)CCC2)ncc1[N+](=O)[O-] 1786914685 IMVHHCRDCKNBFF-MDZDMXLPSA-N 446.463 4.352 5 20 IIBD COc1cc(CC(=O)NC2(c3ccc(NC(=O)CC(C)C)cc3)CCC2)ccc1[N+](=O)[O-] 1787663437 GSUGYYIAVBMWSH-UHFFFAOYSA-N 439.512 4.326 5 20 IIBD CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4n[nH]cc4[N+](=O)[O-])CCC3)cc2)cc1 1790338696 BOJYIUGAICINML-UHFFFAOYSA-N 447.495 4.332 5 20 IIBD C/C=C/C=C\C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])c4c3OCO4)CCC2)cc1 1791240784 DNYBKONCTQCOPA-ZPYFUIHZSA-N 449.463 4.204 5 20 IIBD Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H]2CC[C@H](C(C)C)CC2)ncc1[N+](=O)[O-] 1801816788 MEXSBNSFYXLVRF-CCQCEHTISA-N 442.560 4.012 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc3cc[nH]c3c2)[nH]n1)c1ccc([N+](=O)[O-])o1 1814309240 IGFWJPFAGPDMTC-QGZVFWFLSA-N 448.439 4.012 5 20 IIBD Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc([N+](=O)[O-])o3)n[nH]2)c(C)c1 1814311052 AADJCZUVHHGLDK-QGZVFWFLSA-N 437.456 4.147 5 20 IIBD CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)n[nH]2)CCCC1 1821163629 UHFVGONKHJGCMZ-GOSISDBHSA-N 443.479 4.343 5 20 IIBD Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)c1 1823614805 BRAPATLWLTYLTE-IBGZPJMESA-N 443.475 4.182 5 20 IIBD C[C@@H]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1828485185 CBOMUIMEJOJVOA-HGHGUNKESA-N 445.535 4.403 5 20 IIBD O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)Nc1cc(Cl)ccc1[N+](=O)[O-] 11024436 URJDBTSUODSQCZ-UHFFFAOYSA-N 438.823 4.275 5 20 IIBD CC(C)CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2F)nc2ccccc2c1=O 11209788 RVOFYWDRDUIUND-UHFFFAOYSA-N 444.488 4.221 5 20 IIBD C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1 12670750 GGCYXECASXGNGD-CALCHBBNSA-N 426.469 4.120 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cc2)ccc1F 15410206 LIUYLPOOXOWWFQ-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD C[C@H](OC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Br)c1 16925948 NTJMLUVBJYJCCY-NSHDSACASA-N 448.273 4.116 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(Cc2cccs2)n1C1CC1 17272981 BTIOCTPCEMLANJ-UHFFFAOYSA-N 429.527 4.213 5 20 IIBD C[C@H](Sc1nnc(NCc2ccco2)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 17983031 MUVZJKCTCHLXKH-VIFPVBQESA-N 439.906 4.424 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 21156862 GSEDRVAOYACEBJ-CQSZACIVSA-N 442.859 4.235 5 20 IIBD C[C@H](OC(=O)COc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1Oc1ccccc1 22095636 WBKOBVOTSITNBO-INIZCTEOSA-N 436.420 4.336 5 20 IIBD O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCN(Cc2ccsc2)CC1 28093929 UGRISAADLRIADB-UHFFFAOYSA-N 436.537 4.226 5 20 IIBD CCNc1nc(SCCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)nc2ccccc12 31766778 HWUSEHYYMGDQFI-UHFFFAOYSA-N 427.486 4.099 5 20 IIBD CCOC(=O)c1cnn(-c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)c1C(F)(F)F 46709618 AZKJEUSBJZYFQW-UHFFFAOYSA-N 448.357 4.228 5 20 IIBD C[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O 59013559 KMOZEUVOJNMAIH-HNNXBMFYSA-N 445.928 4.131 5 20 IIBD COc1ccc(C(=O)Nc2cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)ccc2C)cc1[N+](=O)[O-] 59776048 VJQUCEFLFZETMJ-HUUCEWRRSA-N 425.485 4.282 5 20 IIBD C[C@@H](CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)Cn1cccn1 63760735 UBJNPZUUBHJAMR-HNNXBMFYSA-N 427.892 4.123 5 20 IIBD C[C@@H](Nc1ccc(Br)cc1[N+](=O)[O-])c1ccc(OCC(=O)NC2CC2)cc1 97476661 FOIUWCQCQYGLHF-GFCCVEGCSA-N 434.290 4.188 5 20 IIBD Cc1ccc(C(C)C)c(OCc2nnc(SCCOc3ccccc3[N+](=O)[O-])n2N)c1 108162716 YQWYSNOZGKESFS-UHFFFAOYSA-N 443.529 4.082 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC(n4ccnc4)CC3)cc2[N+](=O)[O-])n1 109695124 UTANOHZJUUGSRH-UHFFFAOYSA-N 429.527 4.185 5 20 IIBD O=C(CCn1cc([N+](=O)[O-])cn1)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1 195731474 LOBQPBKBLOTTKK-UHFFFAOYSA-N 447.476 4.175 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCc3ncc(C)s3)c([N+](=O)[O-])c2)c(C)c1 301462926 OQCGNKRYESEOPI-UHFFFAOYSA-N 432.527 4.389 5 20 IIBD Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 303857844 WBCPLWFGAJUWKD-UHFFFAOYSA-N 445.523 4.479 5 20 IIBD O=C(Nc1ncc(C2CCCCC2)s1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 426182062 CIXBDEBEAOLNQO-UHFFFAOYSA-N 428.514 4.229 5 20 IIBD Cc1cnc(C(C)(C)NC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 431770344 KUMYMKMKPAJUSK-UHFFFAOYSA-N 431.440 4.025 5 20 IIBD COc1ccccc1-c1noc(C2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)n1 433115006 INXZECRJJZEOIW-UHFFFAOYSA-N 437.456 4.373 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC2(CCN(Cc3ccccc3)CC2)C1 433124167 ACGOSFKDNKHVKM-UHFFFAOYSA-N 436.556 4.220 5 20 IIBD Cn1cc(C(=O)Nc2cc(F)c(F)cc2Br)c(-c2ccc([N+](=O)[O-])cc2)n1 435253235 CNFKXDKYWNTKLE-UHFFFAOYSA-N 437.200 4.288 5 20 IIBD O=C(NCc1cc(F)ccc1F)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435503600 DOTPTKGQUAUETN-UHFFFAOYSA-N 449.460 4.341 5 20 IIBD CC(C)C(=O)Nc1ccc(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1 435937981 PYBSBSOJNFBENU-UHFFFAOYSA-N 431.467 4.345 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] 436276484 UDJYPBIQFLKJNZ-UHFFFAOYSA-N 433.184 4.130 5 20 IIBD O=C1CCN1c1cccc(-c2noc(CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)c1 438823854 MXAKHZXURPKYPF-UHFFFAOYSA-N 447.373 4.055 5 20 IIBD Cn1c(CC(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)nnc1-c1ccccc1 444012960 TXGYHWXGLMFMSF-UHFFFAOYSA-N 427.464 4.166 5 20 IIBD CCOc1cc2c(cc1NC(=O)c1sc(Br)cc1[N+](=O)[O-])O[C@@H](C)C2 445254362 ZEDIRQDCVLSOPC-QMMMGPOBSA-N 427.276 4.393 5 20 IIBD Cc1c(C)n(C[C@H]2CCCO2)c2ncnc(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)c12 445961193 SISOFEKUFOLDNA-CZUORRHYSA-N 441.463 4.017 5 20 IIBD O=[N+]([O-])c1ccc2nc(CNCc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)[nH]c2c1 446849826 RGQGYNREIBXBAC-UHFFFAOYSA-N 430.390 4.025 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N(Cc1cc(F)ccc1F)C1CCCC1 446894997 UMFMBYYEUZTUII-UHFFFAOYSA-N 429.427 4.404 5 20 IIBD CCCc1[nH]nc(C(=O)Nc2nc(C)c(Cc3ccc(F)c(F)c3F)s2)c1[N+](=O)[O-] 447018286 SYTCGJJTEUMRSW-UHFFFAOYSA-N 439.419 4.296 5 20 IIBD C[C@@H](c1ccc(F)cc1)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 461644338 AYUFRIFSKQAQAL-JKSUJKDBSA-N 425.464 4.226 5 20 IIBD COc1ccc(-c2nc(CN3CCN(c4ccc([N+](=O)[O-])c(OC)c4)CC3)cs2)cc1 462082374 CHYPVVMKMKKRBX-UHFFFAOYSA-N 440.525 4.058 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cn2cc(Br)cc(C)c2n1 462752783 IVGDEFXBYFCVAV-HNNXBMFYSA-N 445.317 4.199 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H](CO)Cc1ccccc1C(F)(F)F 463973786 USOTXKKTUSKTAE-AWEZNQCLSA-N 425.407 4.203 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H](C)c2nccs2)CC1 464345340 YJUIQFXVIHGEMQ-HNNXBMFYSA-N 434.587 4.318 5 20 IIBD CN(C(=O)c1ccco1)c1ccccc1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464639146 OBCKOOQCSQMBFN-UHFFFAOYSA-N 449.463 4.148 5 20 IIBD O=C(CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Nc1ccccc1Br 464778877 SQJCJUFSLQDODY-UHFFFAOYSA-N 448.317 4.229 5 20 IIBD CCn1c(S[C@H](C)C(=O)NCC(=O)c2ccccc2)nc2cc3ccccc3cc2c1=O 466616091 BOAWXBHPEFQQGU-MRXNPFEDSA-N 445.544 4.049 5 20 IIBD O=C(NCc1cccc(NC(=O)c2ccc(F)cc2)c1)Nc1cc(F)cc([N+](=O)[O-])c1 470154257 ZWZMZCIOQLFCFH-UHFFFAOYSA-N 426.379 4.447 5 20 IIBD C[C@H]1OCC[C@@]12CN(C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)CCO2 470666344 FYSFGPCZKGKMSJ-SPLOXXLWSA-N 448.928 4.419 5 20 IIBD Cc1ccn(Cc2nc(O)c3c(-c4ccccc4Cl)csc3n2)c(=O)c1[N+](=O)[O-] 471370541 VVAQQONLTWWJSY-UHFFFAOYSA-N 428.857 4.144 5 20 IIBD O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@@]2(C1)OCc1ccccc12 471615672 WAAHPYMDJTYQBH-VWLOTQADSA-N 429.476 4.479 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NC2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)cc1SC 472494870 FUWYDHXTBTVATF-HZPDHXFCSA-N 443.569 4.212 5 20 IIBD O=C(CSCc1nc(CCNc2ccccc2[N+](=O)[O-])no1)c1ccc(Cl)cc1 472653193 WALJRJOOBTZAPE-UHFFFAOYSA-N 432.889 4.402 5 20 IIBD COc1c(C)cnc(CN2CCC(N(C)c3nc4ccccc4cc3[N+](=O)[O-])CC2)c1C 473535164 RGKLNVQPOMZXIP-UHFFFAOYSA-N 435.528 4.264 5 20 IIBD C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 474738551 MXSKEOHAUZSDPO-QWHCGFSZSA-N 435.933 4.090 5 20 IIBD CC(C)C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(=O)Nc1nccs1 475196694 WBLZPQYUFXQZDT-GFCCVEGCSA-N 445.423 4.245 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3ccc(C(F)(F)F)c(F)c3)CC2)ccc1[N+](=O)[O-] 477371845 GSVKRNDLRLGXDU-UHFFFAOYSA-N 441.381 4.114 5 20 IIBD CC(C)n1c([C@H]2CCCN2C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)nc2ccccc21 478310722 SBODCUFEEMSXRE-OAQYLSRUSA-N 445.483 4.083 5 20 IIBD COc1cc(C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)cc([N+](=O)[O-])c1C 480177140 FPWFQYAQULHFFB-UHFFFAOYSA-N 431.876 4.444 5 20 IIBD CC(C)(C)[C@@H]1C[C@H](NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CCO1 480945273 LQETXKVEKOBVOY-BZNIZROVSA-N 441.315 4.411 5 20 IIBD O=C(NCCCOC1CCN(Cc2ccccc2)CC1)c1cc2cc([N+](=O)[O-])ccc2o1 482415862 ZVNLJSNGWXRFGS-UHFFFAOYSA-N 437.496 4.142 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1SC 482434445 ISUHEQRGQAXPDC-GFCCVEGCSA-N 429.498 4.165 5 20 IIBD O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 482964902 QYGHXRVNYFOMAM-UHFFFAOYSA-N 442.369 4.466 5 20 IIBD CCOc1ccc(Oc2ccccc2NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)cc1 483814607 AATQLSRPTTVCKV-UHFFFAOYSA-N 449.463 4.349 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC[C@@H](c3nnc4n3CCCCC4)C2)nc1-c1ccc(F)cc1 485392906 XGVOTTIBCDJVTL-QGZVFWFLSA-N 436.491 4.498 5 20 IIBD Cc1cc(C[C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)n(-c2ccccc2)n1 485539911 FNFHEEOQPKGOID-ZDUSSCGKSA-N 430.411 4.051 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccc(Oc2ccccc2)nc1 486472031 AYFLEIQOAOZJJD-UHFFFAOYSA-N 426.860 4.477 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1cccc(Cl)c1OCC(F)F 487487955 UECIQZMVPJAMRL-SNVBAGLBSA-N 429.807 4.340 5 20 IIBD CCN(CC1CCN(c2ccccn2)CC1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 488293561 QYCFBXZEGKPZDJ-UHFFFAOYSA-N 445.951 4.134 5 20 IIBD Cc1cccc([C@H](NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C(C)(C)C)c1 488828056 BNEFKMUTWPQCNK-NRFANRHFSA-N 425.485 4.495 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1[N+](=O)[O-] 493963472 YTVCHKHROGNJLH-SNVBAGLBSA-N 429.782 4.391 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1[N+](=O)[O-] 494028262 QBNPOEVMJIMAKT-AWEZNQCLSA-N 449.492 4.095 5 20 IIBD CCN([C@H](C)Cc1ccsc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 494596621 NJJAMQUGEXJZTL-LLVKDONJSA-N 433.349 4.061 5 20 IIBD Cc1cn(-c2ccc(Cl)cc2)nc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 499505677 WBLVQVSKZZSVEQ-UHFFFAOYSA-N 427.269 4.197 5 20 IIBD CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)Cn1cc([N+](=O)[O-])nc1C 501031955 CAVSKTXYPJRSLI-UHFFFAOYSA-N 436.390 4.427 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1ccc(NC(=O)c2cccs2)cc1 501967591 HNUKAAIUIXXDLZ-ZDUSSCGKSA-N 440.481 4.356 5 20 IIBD C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cnc(Sc2nccn2C)c(Cl)c1 504353858 PFZKKBYAHUPRDR-LLVKDONJSA-N 429.889 4.119 5 20 IIBD CC(C)N1CCN(c2cccc(N[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c2)CC1 504414871 FUHCBZPKNVJLEV-MRXNPFEDSA-N 445.951 4.218 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 505627510 BESHTPXJDGMZBL-UHFFFAOYSA-N 445.479 4.024 5 20 IIBD COCC[C@@H](C)N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 507842412 BDRYBZAKCDSYHR-ACJLOTCBSA-N 436.306 4.052 5 20 IIBD COC(=O)c1occc1CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H](C)c1ccccn1 508487325 IVIXSNOCWGRFKG-CYBMUJFWSA-N 443.843 4.426 5 20 IIBD CCN(Cc1cccc(F)c1)C(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] 509877590 KJLOYXOIWQCDLA-UHFFFAOYSA-N 445.472 4.440 5 20 IIBD C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1cccc(S(=O)(=O)NCc2ccco2)c1 512365301 VWJJEWHRJYLYBG-WJDWOHSUSA-N 427.482 4.182 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cc2)cc1C 512958566 KLIDILOWXRDRNJ-CYBMUJFWSA-N 432.420 4.192 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1c(Cl)cccc1I 512995926 ACZUUZWRTATOBP-UHFFFAOYSA-N 444.656 4.168 5 20 IIBD COc1cc(C(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)c([N+](=O)[O-])cc1OC 513891834 NAFBMRBJNGHUBJ-CQSZACIVSA-N 434.876 4.197 5 20 IIBD CCOc1cc(NC(=O)N(C)C[C@@H]2OCCc3ccccc32)c([N+](=O)[O-])cc1OCC 513953500 PJHUYDZHJIMRIV-NRFANRHFSA-N 429.473 4.170 5 20 IIBD C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 515479193 ALMWEOLTKSMCRW-GOSISDBHSA-N 431.492 4.407 5 20 IIBD CN1CCC[C@@H](CNC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C1 518140875 GCERDWRETMSWTE-AWEZNQCLSA-N 442.566 4.427 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(-c3ccncc3)ccc2C)cc1OC 522397913 YUIOFBKSIWRJDC-UHFFFAOYSA-N 437.452 4.251 5 20 IIBD Cc1ccc(Cc2cnc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)s2)cc1F 524294627 WNWQCNWBSHVWMW-UHFFFAOYSA-N 429.429 4.113 5 20 IIBD C[C@H]1[C@H](c2ccccc2)C[C@@H](C)N1C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 525131471 MDIUHYORAVGJCO-RVKKMQEKSA-N 437.525 4.281 5 20 IIBD CCC(CC)(CC)NC(=O)c1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 525613806 FCFWIKOBRWIOEU-UHFFFAOYSA-N 449.529 4.103 5 20 IIBD O=C(NCc1nc2cccnc2[nH]1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 526015061 WYGJMLFXSRHDHM-UHFFFAOYSA-N 436.859 4.062 5 20 IIBD COC(=O)CC1(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CCCCC1 530612826 YLIQRDOUAWSWNS-MRXNPFEDSA-N 440.500 4.159 5 20 IIBD CCC[C@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 534782110 SHQMZWVUBKNNEB-HNNXBMFYSA-N 431.876 4.142 5 20 IIBD COc1ccccc1[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccccn1 535556801 PNCCUPMNSAHWOG-SPLOXXLWSA-N 441.871 4.325 5 20 IIBD CN1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(Cl)c(F)c1 535672553 VCHIOIWZDRLMJX-KPZWWZAWSA-N 426.275 4.464 5 20 IIBD COc1cc(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc([N+](=O)[O-])c1OC 536239408 PVFZEDPQRVVMQB-UHFFFAOYSA-N 447.900 4.361 5 20 IIBD COc1ccc(C[C@@H](C)CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)cc1OC 536498146 RINFVGNEBSNQJJ-MRXNPFEDSA-N 427.501 4.139 5 20 IIBD O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)c1cc([N+](=O)[O-])ccc1SCCO 538601462 PZTPDFMJKVRUDW-UHFFFAOYSA-N 436.449 4.135 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN[C@H](CC(F)(F)F)c1ccc(F)cc1 539275494 GQCRJKVDUYENOA-OAHLLOKOSA-N 427.354 4.315 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 539842488 FZDBTAGCTCGEGQ-UHFFFAOYSA-N 429.904 4.162 5 20 IIBD CC(C)CN(C(=O)c1ccnc(N(C)C)c1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 540452144 XGDBARBVVKRFFA-UHFFFAOYSA-N 425.514 4.482 5 20 IIBD CCc1ccc([C@H](NCc2ccccc2CN2CC[C@@H](O)C2)c2ccc([N+](=O)[O-])cc2)o1 541571344 PZVVVORIVHJDTM-RCZVLFRGSA-N 435.524 4.196 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCC[C@@H](C)N2CCCCC2)cc1[N+](=O)[O-])c1ccccn1 543386394 SETCUHCOXAZCLO-MSOLQXFVSA-N 425.533 4.157 5 20 IIBD Cc1cc(C(=O)NCC(=O)Nc2ccccc2-c2cc(F)c(F)c(F)c2)ccc1[N+](=O)[O-] 543880499 QIIOZECGLYYKPP-UHFFFAOYSA-N 443.381 4.356 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F 545119307 CBLXPMNMAWSVAR-JTQLQIEISA-N 430.402 4.265 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(Cc3cc4ccccc4nc3O)n2)c(Br)c1 545741710 DWEQJXGMAYFHNX-UHFFFAOYSA-N 441.241 4.176 5 20 IIBD CC(C)(C(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1)c1ccc([N+](=O)[O-])cc1F 546538119 FGSJYJYTXIVNPI-UHFFFAOYSA-N 428.386 4.091 5 20 IIBD Cc1cccc(NC(=O)[C@H](Sc2nc3cc([N+](=O)[O-])ccc3c(=O)n2C)C(C)C)c1C 547254523 PELVONGZXUEINP-LJQANCHMSA-N 440.525 4.214 5 20 IIBD CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 554676009 WXRDJBRELCPZBK-UHFFFAOYSA-N 446.301 4.415 5 20 IIBD Cn1ccnc1[C@H](NCc1cc(F)c(F)cc1Br)c1ccc([N+](=O)[O-])cc1 556924536 JRXCKNOJXLPUJC-QGZVFWFLSA-N 437.244 4.248 5 20 IIBD O=C(N[C@H](c1c[nH]c2ccccc12)C(F)(F)F)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 557629440 PPUPGTVPBFKJOA-GOSISDBHSA-N 429.358 4.295 5 20 IIBD O=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1cc([N+](=O)[O-])ccc1C(F)(F)F 558901084 MEZHYRROJVTFNK-UHFFFAOYSA-N 430.766 4.011 5 20 IIBD Cc1csc(Sc2ccc(-c3nc([C@H]4CC(=O)N(C(C)C)C4)no3)cc2[N+](=O)[O-])n1 560047850 GECBHUXCEMDTCU-ZDUSSCGKSA-N 445.526 4.285 5 20 IIBD COc1ccc(NC(=O)CCN[C@H](C)c2ccc(Oc3cccnc3)cc2)c([N+](=O)[O-])c1 561788348 XNSPBFKDDYYOPA-MRXNPFEDSA-N 436.468 4.470 5 20 IIBD C[C@H](NC(=O)c1ccc(N2N=C(Cc3ccccc3)CC2=O)cc1)c1cccc([N+](=O)[O-])c1 562399520 XLMFHGANZFQKAG-KRWDZBQOSA-N 442.475 4.421 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1 568560329 SWQCBTSNSVSQHT-UHFFFAOYSA-N 432.477 4.406 5 20 IIBD O=C(NC1(c2noc(Cc3ccc([N+](=O)[O-])cc3Cl)n2)CCCC1)c1ccccc1 571245190 OTFJFKFDUXNBTQ-UHFFFAOYSA-N 426.860 4.421 5 20 IIBD O=[N+]([O-])c1cncc(Br)c1N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 572036439 TYHRLFRPDBTTBQ-AWEZNQCLSA-N 448.195 4.229 5 20 IIBD O=C(NCCn1c2ccccc2c2ccccc21)c1cc([N+](=O)[O-])ccc1SCCO 572799705 WPJNYOFYQCXGBF-UHFFFAOYSA-N 435.505 4.217 5 20 IIBD COc1ccc(Cl)cc1[C@H](CC(C)C)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 576915141 SMTOZROWFXFGMA-INIZCTEOSA-N 427.910 4.104 5 20 IIBD Cc1nc2c(s1)[C@H](N(C)Cc1cc(I)cc([N+](=O)[O-])c1)CCC2 579042584 RWFPYAGEIMAJEV-OAHLLOKOSA-N 443.310 4.474 5 20 IIBD Cn1cc(C(=O)Nc2cncc(Cl)c2Br)c(-c2ccc([N+](=O)[O-])cc2)n1 581096923 PTWUBKPUPDOKBM-UHFFFAOYSA-N 436.653 4.059 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCc3sccc3C2)nc1 603458536 QFJQIVQLUCNXPY-UHFFFAOYSA-N 426.523 4.345 5 20 IIBD COc1ccc(-c2nc(CS(=O)(=O)Cc3cccc([N+](=O)[O-])c3C)cs2)c(OC)c1 603940682 PHGQCZGEFRGQEZ-UHFFFAOYSA-N 448.522 4.159 5 20 IIBD Cc1c(NC(=O)CCN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] 604276309 IVAYUUIOLMMKNX-VXGBXAGGSA-N 427.345 4.295 5 20 IIBD O=C(Nc1cc(Cl)ccc1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1ccco1 608938744 VOLFMFAMSOLLOR-UHFFFAOYSA-N 443.799 4.117 5 20 IIBD CCN(C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)[C@@H]1CCCC[C@H]1C 608965217 WHTQCNBREIAKNF-IIBYNOLFSA-N 445.541 4.436 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCc2scnc2C)cc1[N+](=O)[O-] 609182777 RQAREBAYWXKEDZ-UHFFFAOYSA-N 427.507 4.243 5 20 IIBD O=C(NCC1CCN(Cc2ccccc2Cl)CC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 609311977 GULHELLEFFRAMT-UHFFFAOYSA-N 426.904 4.372 5 20 IIBD COCCc1ccc(Oc2ccc(NS(=O)(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2)cc1 609379938 ZIAMXMVXNHXCSA-UHFFFAOYSA-N 444.465 4.082 5 20 IIBD COc1ccc(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)cc1Cc1ccccc1 609441701 HEOBHLJSEREFNO-UHFFFAOYSA-N 429.436 4.027 5 20 IIBD CCc1nc([C@H](C)NC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])cs1 609507714 JAUXOUBNBYKEFI-NSHDSACASA-N 448.526 4.149 5 20 IIBD COCC[C@H](C)NC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 609810553 HLZFAEXGCSWNMI-LBPRGKRZSA-N 425.844 4.404 5 20 IIBD COC(=O)c1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c(OCC(F)(F)F)c1 609857721 OKDGBKFKIXXECT-UHFFFAOYSA-N 432.738 4.228 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCCC[C@@H]1c1noc(C2CC2)n1 609975273 NASMEZUGCFASTF-OAHLLOKOSA-N 440.378 4.164 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccc(Oc2cccc(Cl)c2Cl)nn1 610225375 QONLPOJICNGBLO-UHFFFAOYSA-N 433.251 4.456 5 20 IIBD O=C(c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2)N1CC[C@H](CO)C1 611157260 LBGBTNNGEFMQFU-OWBBTNHHSA-N 443.503 4.474 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(c2cccc3ccccc23)CC1 619480195 QIADAQZLLGWLNG-UHFFFAOYSA-N 426.494 4.325 5 20 IIBD CCn1cc(Br)cc1C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 726816967 UGCUWCLCXDQJJF-JTQLQIEISA-N 435.234 4.147 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(C(=S)Nc3ccc(Cl)nc3)CC2)c(C(F)(F)F)c1 727283031 INRCDVGLRNPUQY-UHFFFAOYSA-N 445.854 4.181 5 20 IIBD COc1cccc(CC(=O)N2CCc3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4F)cc32)c1 727319170 RJTKEYSUGFHSKZ-UHFFFAOYSA-N 449.438 4.127 5 20 IIBD CCCc1nc(C)c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)s1 727329322 SYFZXITZKDTYOL-UHFFFAOYSA-N 442.463 4.293 5 20 IIBD CC(C)[C@H](SCc1ccccc1)C(=O)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 727624439 LJCZILCQYGSKDI-KRWDZBQOSA-N 442.946 4.011 5 20 IIBD O=C(Cc1coc(-c2cccs2)n1)OCCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 730073849 USNQDEBOMOVAJH-UHFFFAOYSA-N 442.371 4.495 5 20 IIBD O=[N+]([O-])c1ccc2c(cnn2CN2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)c1 730257304 YBDPXUAEZCAGGR-GOSISDBHSA-N 425.247 4.421 5 20 IIBD CCc1ccc(OC(=O)[C@@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)c([N+](=O)[O-])c1 734736636 DJCGUCASIURBJT-OAHLLOKOSA-N 448.422 4.216 5 20 IIBD O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 734890094 AUAKMRKUPAAXLO-CYBMUJFWSA-N 435.839 4.375 5 20 IIBD Cc1c(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 735264598 XAQXBDWDHJIFKD-UHFFFAOYSA-N 429.273 4.077 5 20 IIBD COc1ccc(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1Br 735442105 AJGNUPHTKAHDDT-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD CC[C@H](OC(=O)c1ccc(I)c([N+](=O)[O-])c1)C(=O)c1ccccc1 738643701 BDBYDMIQTDKFCX-HNNXBMFYSA-N 439.205 4.018 5 20 IIBD CC(C)N(C(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(N2CCOCC2)cc1 739538719 QKYAIHPQFNSZHQ-UHFFFAOYSA-N 448.317 4.249 5 20 IIBD CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 741554333 FLXWFFCOONNLCO-UHFFFAOYSA-N 433.848 4.028 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 741933892 BLRUNHUTFKOOQA-YLJYHZDGSA-N 449.891 4.225 5 20 IIBD Cc1nc(-c2ccc(OS(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])cc2)no1 742272169 SLUUKADDSRRRNF-UHFFFAOYSA-N 430.225 4.028 5 20 IIBD CCC(CC)(CNC(=O)c1ccc([N+](=O)[O-])cc1Br)NC(=O)OC(C)(C)C 744682469 WJOWLKGVXVVELL-UHFFFAOYSA-N 444.326 4.171 5 20 IIBD C[C@H](OC(=O)[C@H]1SCCc2sccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 745637225 PLUBOGSWBIHCFR-VFZGTOFNSA-N 426.903 4.211 5 20 IIBD O=C(COC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 745749410 MDRUFRGVEQJCKL-OAHLLOKOSA-N 447.658 4.160 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 746250704 MRYCZKRVUYFTMC-CJFMBICVSA-N 444.506 4.409 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 749275820 ONMWUZZOECOPKW-OAHLLOKOSA-N 440.500 4.182 5 20 IIBD CC(C)N(Cc1nc(O)c2ccccc2n1)C(=O)c1cc([N+](=O)[O-])ccc1Br 750599884 VDJYISKLCYJOLA-UHFFFAOYSA-N 445.273 4.057 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CCCN(C2CCCC2)CC1 750887152 NTLGJWMWNOINQV-UHFFFAOYSA-N 430.730 4.101 5 20 IIBD CCOCCOc1cc(C)ccc1CNC(=O)c1cc([N+](=O)[O-])ccc1Br 755441809 QCERBUUWVZSWRZ-UHFFFAOYSA-N 437.290 4.011 5 20 IIBD CC[C@@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[C@H]1NC(=O)OC(C)(C)C 757033618 GUKLXSFKYKDEQX-UYAOXDASSA-N 448.564 4.252 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Oc1ccc(S(=O)(=O)c2ccccc2)cc1 759229136 KNKIICGCLOTGAB-UHFFFAOYSA-N 436.445 4.057 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC3(CC2)OCc2ccccc23)CC1 760096616 LAFJRGYVXNNAKD-UHFFFAOYSA-N 435.524 4.493 5 20 IIBD O=C(COC(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O)c1ccc([N+](=O)[O-])cc1 762934667 XTALVMKQRAZAAE-UHFFFAOYSA-N 444.802 4.077 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)OC[C@H]1CC(=O)N(C)[C@H]1c1ccc(OC)cc1 764648088 JSAJSMLMWHIVRD-VFNWGFHPSA-N 444.509 4.092 5 20 IIBD Cc1cccc(C(=O)N2CCCN(Cc3ccc(Br)c([N+](=O)[O-])c3)CC2)c1 768251646 RWLWBKYFIIZFBE-UHFFFAOYSA-N 432.318 4.014 5 20 IIBD CC(C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(Br)ncc1[N+](=O)[O-] 769838074 FAFJIBRBWZNHEW-LLVKDONJSA-N 436.262 4.060 5 20 IIBD CN(CCC1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1)C(=O)OC(C)(C)C 769918666 PVWFSBSQKABJTK-UHFFFAOYSA-N 448.520 4.025 5 20 IIBD O=C(O[C@H]1Cc2ccccc2C1=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 769968545 YGXMHICOOAEWMR-IBGZPJMESA-N 448.397 4.181 5 20 IIBD Cc1cc(S(=O)(=O)Oc2cccc(C(=O)Nc3ccccc3)c2)cc([N+](=O)[O-])c1F 771744981 WSNJRUSUVOHIIU-UHFFFAOYSA-N 430.413 4.062 5 20 IIBD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1NC(=O)OC(C)(C)C 772288985 XTQIRBMWGKMHRJ-CQSZACIVSA-N 443.456 4.434 5 20 IIBD Cc1nc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)sc1Cc1ccc(F)cc1F 773552608 NNYVBTYTJIRYGR-UHFFFAOYSA-N 434.380 4.389 5 20 IIBD C[C@@H]1CN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C 774666660 JZUPPVXGGZZLIV-SNVBAGLBSA-N 440.369 4.090 5 20 IIBD CC[C@@H]1Oc2cc([C@H](C)N[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)ccc2NC1=O 775464633 UCOGAZIYKPMXNV-PZROIBLQSA-N 446.891 4.036 5 20 IIBD Cc1c(C(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])nnn1-c1ccccc1Cl 776132061 HVUGLTLGTGMXPU-OAQYLSRUSA-N 449.854 4.479 5 20 IIBD Cc1cccc(N2C[C@H](C(=O)O[C@H](c3cccnc3)c3ccccc3[N+](=O)[O-])CC2=O)c1C 776134951 DRKZPENTUDZTTG-NTKDMRAZSA-N 445.475 4.292 5 20 IIBD C[C@H](CC(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C(=O)c1ccc(Cl)cc1 777216358 QASBOBFJQUSAOG-LLVKDONJSA-N 439.251 4.292 5 20 IIBD CC(C)(C)OC(=O)N1CC=C(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 777924748 PKFDSMYPCIMSNF-UHFFFAOYSA-N 444.513 4.015 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1CC(=O)c1cccs1 778042397 UNAWQEGJPWYHMZ-LBPRGKRZSA-N 428.919 4.044 5 20 IIBD O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)OCc1ccc([N+](=O)[O-])cc1Cl 778334095 KDPMKHYUFVBOFD-HNNXBMFYSA-N 427.265 4.448 5 20 IIBD Cc1cc(COC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)ccc1[N+](=O)[O-] 781172122 UBMZQYABOTYVKB-UHFFFAOYSA-N 438.411 4.417 5 20 IIBD C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781255470 DMGPFHGQQJWUGR-QHRIQVFBSA-N 442.462 4.057 5 20 IIBD O=C(Nc1cc(N2CCCC2=O)ccc1Cl)c1cccc([N+](=O)[O-])c1Br 782121540 MWMBOQWLDLXVSI-UHFFFAOYSA-N 438.665 4.390 5 20 IIBD Cc1ccc(CC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1Br 782465586 KDORYHXEBMQPAH-UHFFFAOYSA-N 441.665 4.044 5 20 IIBD Cc1ccc(CC(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Br 782465600 KWANYCICLWFQKK-CYBMUJFWSA-N 435.274 4.087 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N[C@H]1CCN(c2cccc(Br)c2)C1 784629040 UWEGHLJITCEHCV-AWEZNQCLSA-N 447.289 4.005 5 20 IIBD COC(=O)Nc1cc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)ccc1F 785771326 XISPRBOTTNKTFQ-UHFFFAOYSA-N 430.314 4.253 5 20 IIBD COc1ccccc1SC[C@H](C)CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790555403 TXCYFVFTZIIVSZ-GFCCVEGCSA-N 426.897 4.483 5 20 IIBD COC(=O)[C@@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1ccc2ccccc2c1 790975696 OOZVBLFQGIBXHJ-FQEVSTJZSA-N 430.819 4.114 5 20 IIBD O=C(OCc1cc(Br)no1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 795532370 ROWSORSZESFGHP-UHFFFAOYSA-N 435.180 4.067 5 20 IIBD CCc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 795940994 AAGOTKZDBRZPIL-UHFFFAOYSA-N 429.816 4.261 5 20 IIBD Cc1c(NC(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)cccc1[N+](=O)[O-] 797607899 SSKMKTNVLLOGKM-SFHVURJKSA-N 426.473 4.074 5 20 IIBD Cc1cc(=O)oc2cc(N(C)C(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])ccc12 805345259 GVPDPJAPVNJZEG-UHFFFAOYSA-N 436.342 4.227 5 20 IIBD O=C(COCc1ccccn1)Nc1cc(Cl)c([N+](=O)[O-])cc1OCc1ccccc1 808013009 LCQSCURJKFUXAD-UHFFFAOYSA-N 427.844 4.378 5 20 IIBD O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)c1 809432978 BAHTYMCFENCJSH-UHFFFAOYSA-N 434.412 4.225 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N1CCC[C@H](c2ccccc2)CC1 810360708 YDVJMRYVVUOJMY-HNNXBMFYSA-N 446.301 4.092 5 20 IIBD CC[C@H](Cc1ccccc1)N(CC)C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810398256 JIIGVNUVGGGOLY-MRXNPFEDSA-N 448.317 4.166 5 20 IIBD CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811217000 PCMMXRJSLWLZNK-UZANMSMRSA-N 447.538 4.019 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cccc1[N+](=O)[O-] 811373035 NWXSQNYCUBIJQK-VIFPVBQESA-N 442.211 4.302 5 20 IIBD O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813117707 YGJTWZHWVHUUHN-CQSZACIVSA-N 446.649 4.229 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Cc1cccc2cccnc12 832826546 LVMMIMZDTZGUCC-UHFFFAOYSA-N 431.452 4.173 5 20 IIBD COc1cc(/C=C(/Cl)c2nnc(C(=O)Nc3ccc(C)cc3)s2)cc([N+](=O)[O-])c1O 844255851 OCNQZHLPWJAODE-NTUHNPAUSA-N 446.872 4.458 5 20 IIBD O=C(COC(=O)c1cc(-c2ccccc2Cl)[nH]n1)Nc1ccc([N+](=O)[O-])cc1Cl 914998578 AMBBMUIDULDOHU-UHFFFAOYSA-N 435.223 4.087 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OCc2nnc(-c3ccco3)o2)cc1 915250711 WMAXOVGOARVKMA-UHFFFAOYSA-N 437.364 4.396 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)NC(=O)OC(C)(C)C 916667203 BOAPOPPBVXGWLF-QGZVFWFLSA-N 444.488 4.299 5 20 IIBD C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 917069436 SIXUDYILRQMFAC-JTQLQIEISA-N 444.702 4.332 5 20 IIBD CCN(C(=O)[C@H](C)OC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccccc1 917259141 FLPBMEWXXCANPE-ZDUSSCGKSA-N 440.374 4.134 5 20 IIBD Cc1cc(=O)c(C(=O)OCc2ccc(Cl)cc2Cl)nn1-c1ccccc1[N+](=O)[O-] 918032176 GSBILTSMSHBIJI-UHFFFAOYSA-N 434.235 4.113 5 20 IIBD O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 918627884 LRIHQRXYBKRCIF-QFIPXVFZSA-N 427.476 4.232 5 20 IIBD Cc1c(C(=O)OCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] 918877311 QXRZPFFSFLZDLV-QFIPXVFZSA-N 436.489 4.296 5 20 IIBD C[C@@H](OC(=O)c1ccc(O[C@H](C)c2ccccc2)nc1)C(=O)Nc1ccccc1[N+](=O)[O-] 919213637 GOXYHAZFNRTEMP-HZPDHXFCSA-N 435.436 4.314 5 20 IIBD C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 919868585 UYMOTGCRGDIGMY-AWEZNQCLSA-N 437.418 4.411 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCc1cccc(C(=O)N2CCCCC2)c1 920778246 LOAGIQLDFNDTEC-HNNXBMFYSA-N 446.887 4.385 5 20 IIBD Cc1c(NC(=O)[C@@H](C)Sc2ccc(S(=O)(=O)C(F)(F)F)cc2)cccc1[N+](=O)[O-] 1116191307 IAZWMLXECPLDRY-LLVKDONJSA-N 448.444 4.316 5 20 IIBD O=C(c1ccc(Br)cc1)N1CCC[C@H]1c1nnc(-c2cccc([N+](=O)[O-])c2)o1 1117203727 JFIBCXYPDRWPSB-INIZCTEOSA-N 443.257 4.385 5 20 IIBD CC(C)n1ncc2c1[C@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CCC2 1325530513 OKUQNJIPWKJKIJ-MRXNPFEDSA-N 439.438 4.387 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Br)c1n[nH]c(C2CC2)c1Br 1325730186 MNSLLHFDQWLBFV-UHFFFAOYSA-N 445.067 4.077 5 20 IIBD COCCO[C@@H](C)c1nnc(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)o1 1325792640 XUAJDAGZJNGQJB-INIZCTEOSA-N 449.467 4.145 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H](C)N(C)C(=O)OC(C)(C)C 1341761532 IBKSTHBLYTVJMN-AWEZNQCLSA-N 425.551 4.471 5 20 IIBD Cc1ncsc1C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1 1787420513 LKCNEZIHNVVNIW-UHFFFAOYSA-N 426.454 4.014 5 20 IIBD Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C3)cc1Cl 1792733066 GOHBNPSBGAZFFB-MUJYYYPQSA-N 445.878 4.261 5 20 IIBD Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C3)cc1C 1799655023 KTTCDJFWBGDPQO-KOUNCHBCSA-N 435.524 4.096 5 20 IIBD CC[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)C3)CC1 1802026886 OEGKWGBCGPWIHB-FWIIZBITSA-N 443.544 4.072 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2cc([N+](=O)[O-])ccc2F)n[nH]1 1815641625 KGKNZAMBWUSXSP-IFXJQAMLSA-N 445.495 4.128 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CC(C)(C)C)[nH]n1 1821343147 LLQVCQAAEKUAOO-INIZCTEOSA-N 443.504 4.074 5 20 IIBD C/C=C(\C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(F)ccc([N+](=O)[O-])c2C)CC1 1831344212 YWJSSWXVIIVXKH-FYGBFIRESA-N 431.508 4.242 5 20 IIBD Cc1cc(CCCC(=O)N2CC3(CCCN3C(=O)CC(C)(C)C)C2)c([N+](=O)[O-])cc1F 1842627662 JBUVVIXSRIQRQQ-UHFFFAOYSA-N 433.524 4.005 5 20 IIBD O=C(c1cccc(F)c1[N+](=O)[O-])N1CC2(CCCN2C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)C1 1843938920 LDJNYWRTKHQACO-KZNAEPCWSA-N 443.519 4.157 5 20 IIBD COc1ccc2cc(CNC(=O)c3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])ccc2c1 11127019 YQJBIIFOZFIEMS-UHFFFAOYSA-N 432.379 4.297 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 12335505 BLKXEPFRJWOHBR-UHFFFAOYSA-N 436.386 4.209 5 20 IIBD O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)C12CC3CC(CC(C3)C1)C2 14826945 PWXAYURRESJWGQ-UHFFFAOYSA-N 447.538 4.039 5 20 IIBD Cc1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1S(=O)(=O)N1CCCCCC1 15312835 CSSWUNVCWQLETF-UHFFFAOYSA-N 431.514 4.029 5 20 IIBD C[C@@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1cccnc1 17801918 VLCPUIAOQLGEOS-QGZVFWFLSA-N 427.464 4.262 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 18079051 QMCYASBTWZLYAI-UHFFFAOYSA-N 449.216 4.278 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(C3CC3)nc3ccccc23)c([N+](=O)[O-])c1 18437543 ZICHMCJKTPHJTQ-ZDUSSCGKSA-N 435.436 4.213 5 20 IIBD Cc1nc(COc2ccccc2C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cs1 19485694 LSCNFVNBGNKMPZ-ZDUSSCGKSA-N 441.465 4.123 5 20 IIBD Cc1ccc(C(=O)OCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)cc1[N+](=O)[O-] 24291233 MMHPFCLMBIKZKA-QGZVFWFLSA-N 439.449 4.092 5 20 IIBD COc1cc(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)c([N+](=O)[O-])cc1OC(F)F 27357655 KUGKGWRXSZFGET-OAHLLOKOSA-N 436.411 4.313 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCCN(C(=O)c3cccc(F)c3)CC2)cc1[N+](=O)[O-] 30267953 WALPZCZZKDBONI-UHFFFAOYSA-N 427.476 4.020 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC(c1ccccc1)c1ccccc1 32402527 WLVNIJAMXRPMLM-UHFFFAOYSA-N 426.494 4.104 5 20 IIBD CCc1ccc(-c2cc(NC(=O)CCn3cc([N+](=O)[O-])cn3)n(-c3ccccc3)n2)cc1 63574684 GJJFPWVXGNJTOT-UHFFFAOYSA-N 430.468 4.235 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCC(C)(C)c2cccc(Cl)c2)ccc1[N+](=O)[O-] 72080498 CWXVVHFVGKXNSQ-FQEVSTJZSA-N 443.931 4.255 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N(C)[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 79089389 NJHPRPHYOOIKML-KRWDZBQOSA-N 440.525 4.402 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 104846087 AFUWMHZYNYWNDX-UHFFFAOYSA-N 449.263 4.179 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)N(Cc1ccccn1)c1ccc(Br)cc1 108327912 GEUMLYONFCUZBS-UHFFFAOYSA-N 442.269 4.365 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N[C@H](c1ccccc1)c1ccccn1 139409521 JDOYNODLYYQPRU-GOSISDBHSA-N 437.399 4.485 5 20 IIBD C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)NCc1ccco1 237419914 TXYFPUJEJYTFOA-GFCCVEGCSA-N 448.273 4.005 5 20 IIBD NC(=O)COc1cccc(CNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)c1 237885286 USISIDGCPFCEGD-UHFFFAOYSA-N 441.871 4.194 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@H]3CCN4CCCC[C@H]34)c([N+](=O)[O-])c2)c(C)c1 301085653 JDQICIUHFADCIN-LEWJYISDSA-N 444.557 4.051 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@H]2C[C@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 301946754 HFQUGRWUBPMCQE-BJWYYQGGSA-N 433.530 4.178 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@@H](COCc2ccccc2)C1 426278768 RFWTXLVAZQSOIM-MRXNPFEDSA-N 437.418 4.362 5 20 IIBD O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1ccc([N+](=O)[O-])c2cccnc12 426319121 OCPGBDLQIXNLOX-UHFFFAOYSA-N 425.857 4.491 5 20 IIBD COc1cccc([C@@H](CC(=O)O)NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1OC 426811705 NPZZLNSIYRNTHX-QGZVFWFLSA-N 443.481 4.041 5 20 IIBD Cc1ccc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc1NC(=O)CN1CCCCC1 433105106 ZALKQLAYTPVBFK-UHFFFAOYSA-N 438.528 4.244 5 20 IIBD COc1cc(NC(C)=O)ccc1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 434937613 JIDCIAWKUQVBAF-SNVBAGLBSA-N 440.378 4.020 5 20 IIBD O=C(c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)N(CCc1ccccc1)c1ccccc1 435531888 NYMQSJOSSMUIRI-UHFFFAOYSA-N 443.459 4.138 5 20 IIBD CC[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCS1 437088716 DHVFDPDXBHCJBK-CQSZACIVSA-N 433.917 4.468 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](Cc1ccccc1)c1ccccc1 439741540 DOGVYNVHPBJWQQ-HXUWFJFHSA-N 433.464 4.032 5 20 IIBD Cc1ccc(-c2csc(NC(=O)[C@@H](C)NC(=O)CCc3ccccc3)n2)cc1[N+](=O)[O-] 440448643 CPDGFYARJRYMSL-OAHLLOKOSA-N 438.509 4.103 5 20 IIBD C[C@@H](Cc1ccc(Cl)cc1)N(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@@H](C)O 441263050 QBJSPWNELPJTGT-LSDHHAIUSA-N 430.892 4.112 5 20 IIBD O=C(NCC1(N2CCCC2)CCOCC1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 442732747 NRUBPXPEQWJFFX-UHFFFAOYSA-N 441.553 4.121 5 20 IIBD COc1ccccc1C[C@H](C)N(C)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 443926940 YMXUEDYYVXUFOC-ZDUSSCGKSA-N 426.391 4.248 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)N(C[C@H]2CCN(Cc3ccccc3)C2)CC(F)(F)F)c1 443997651 XZWXZIQELYFHSN-SFHVURJKSA-N 435.446 4.430 5 20 IIBD CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)[C@H]2CCCC[C@@H]21 444670521 YFZWOYVXCAUJAD-XJSPYZKOSA-N 427.549 4.155 5 20 IIBD Cc1nn(Cc2ccc(-c3nc(-c4ccc(-c5nnco5)cc4)no3)cc2)c(C)c1[N+](=O)[O-] 445405114 SUWVZTQISRZZQX-UHFFFAOYSA-N 443.423 4.223 5 20 IIBD CCC1(c2noc(C3CCN(S(=O)(=O)c4cc([N+](=O)[O-])ccc4C)CC3)n2)CCCC1 445784503 TVUXTGKLUXOUKR-UHFFFAOYSA-N 448.545 4.076 5 20 IIBD Cc1nc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])sc1Cc1ccc(F)cc1F 446947440 YEKHRLSFXPPMCV-UHFFFAOYSA-N 439.465 4.171 5 20 IIBD O=C(Nc1ccccc1Cn1cncn1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 447399143 WHOMHNMBUUMAIJ-UHFFFAOYSA-N 429.436 4.066 5 20 IIBD COc1ccc([C@H](CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)N2CCCCC2)cc1 447517171 RIQPZTUQXCBPHR-VSKRKVRLSA-N 427.549 4.100 5 20 IIBD Cn1nc(-c2cccs2)nc1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 448409385 GALDUBDOBYJAGN-UHFFFAOYSA-N 443.432 4.201 5 20 IIBD CC(C)c1[nH]nc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)c1Br 461700920 AEBVCPXTWXRYRC-INIZCTEOSA-N 425.308 4.092 5 20 IIBD Cc1cc(Cl)ccc1NC(=O)[C@H](C)[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 461738778 ULISVMNHLMUDBB-GNDSEDMPSA-N 447.900 4.488 5 20 IIBD Cc1cc(NCc2cccc(NC(=O)Cn3cccn3)c2)c(C(F)(F)F)cc1[N+](=O)[O-] 461777905 QBFURUVNTUCURN-UHFFFAOYSA-N 433.390 4.369 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CC[C@](CO)(c4ccccc4)C3)c([N+](=O)[O-])c2)cc1 461931950 RJKVXSZTMWBFQC-VWLOTQADSA-N 431.492 4.296 5 20 IIBD COc1ccc([C@H](NC(=O)CCn2cc([N+](=O)[O-])nc2C)c2ccccc2Cl)c(C)c1 464626733 FLHHXXSEEMALRR-QFIPXVFZSA-N 442.903 4.366 5 20 IIBD O=C(c1cnc(Cc2ccc(F)cc2)s1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464660438 HEUSYVZULLORHG-UHFFFAOYSA-N 441.484 4.465 5 20 IIBD Cc1noc(CCCNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])n1 467292832 WRUBTKSCBJEJJB-UHFFFAOYSA-N 432.889 4.453 5 20 IIBD Nc1c(C(=O)N2CCCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)cccc1[N+](=O)[O-] 468733933 NIIGZOCGOSJKSU-INIZCTEOSA-N 437.283 4.117 5 20 IIBD CC(C)(c1ccccc1)c1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 471500498 RJZOXDUVFHLYJP-UHFFFAOYSA-N 438.918 4.226 5 20 IIBD COc1cc([C@H](C)Nc2cc(C)c([N+](=O)[O-])cc2Br)ccc1OCCO 473514921 ZFZONSWOFQHUBG-LBPRGKRZSA-N 425.279 4.219 5 20 IIBD CCc1ccc(C(=O)N(Cc2ccc(OC)cc2OC)c2nccs2)cc1[N+](=O)[O-] 474747787 IOKQJDKFLWFLNJ-UHFFFAOYSA-N 427.482 4.478 5 20 IIBD Cc1cc(Br)cc(C)c1CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 478353037 ASWFOTILQHGKKN-UHFFFAOYSA-N 429.274 4.090 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1cc(SC)ccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 479410816 PSNCUAQQFSPATK-OAHLLOKOSA-N 442.415 4.370 5 20 IIBD CCC[C@@H](NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1cccc([N+](=O)[O-])c1 480330850 HYILQEURCRLDDA-JOCHJYFZSA-N 431.558 4.187 5 20 IIBD Cc1c(CNC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)cccc1[N+](=O)[O-] 481465502 KISWZMOZYAZPFA-UHFFFAOYSA-N 431.492 4.225 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2cccc(Oc3ccncc3)c2)ccc1[N+](=O)[O-] 482823215 CSROQNNXCMOGTB-QFIPXVFZSA-N 446.463 4.334 5 20 IIBD COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 484242197 ZXZVCFZJGNUQAV-UHFFFAOYSA-N 440.283 4.286 5 20 IIBD COc1cc(CCNC(=O)Nc2cccc(Oc3ccncc3)c2)c([N+](=O)[O-])cc1OC 485357936 NEHBDNGQFSLFGJ-UHFFFAOYSA-N 438.440 4.164 5 20 IIBD O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 487799687 BZLMLPFGHRKULJ-MRXNPFEDSA-N 432.267 4.460 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1CCN(Cc2csc(CC)n2)CC1 488314738 YGTZDYXYJFLSKJ-UHFFFAOYSA-N 448.614 4.368 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)c1C 488385040 IJWWTXOZQFQZPI-CQSZACIVSA-N 440.905 4.081 5 20 IIBD C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 488472485 YQBKBQFZMMXEDO-YKSBVNFPSA-N 439.559 4.182 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2nc(-c3nccn3C)cs2)cc1[N+](=O)[O-])c1ccccn1 488954983 XWCCDGLYBCPGRA-ZDUSSCGKSA-N 449.496 4.272 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 490301730 QEBQTIZUENICMA-MRXNPFEDSA-N 449.913 4.342 5 20 IIBD CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 493877532 AJSXMMUOEGJQAH-QGZVFWFLSA-N 439.512 4.402 5 20 IIBD CC(C)[C@H](c1ccccc1)N(C)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 496245814 NTLUOWWPNHABTD-LJQANCHMSA-N 425.514 4.344 5 20 IIBD O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 496382694 VWDXWYXODBWYJE-GOSISDBHSA-N 438.465 4.088 5 20 IIBD O=C(Nc1cc(Br)cc(Cl)c1O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 496754537 SOOFEMKTTAVPQK-UHFFFAOYSA-N 437.637 4.154 5 20 IIBD COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] 501064252 PEUXYZIYKZNOAH-GOSISDBHSA-N 440.283 4.076 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2n[nH]cc2NC(C)=O)C1 501175467 RZMWABALKKESQP-OAHLLOKOSA-N 445.545 4.188 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)Cc2ccccc2C(F)(F)F)cc1OC 503649926 OBXIBABXYUMNCO-GFCCVEGCSA-N 426.391 4.382 5 20 IIBD CCNc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1[N+](=O)[O-] 505227787 XXZIICXXFZSTTL-UHFFFAOYSA-N 448.882 4.310 5 20 IIBD CNC(=O)c1ccc(NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)c([N+](=O)[O-])c1 505611837 RGUKKECYEHCBSE-UHFFFAOYSA-N 441.491 4.478 5 20 IIBD CCc1cc(N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 506979062 NTYKJVSVGCCWBK-SFHVURJKSA-N 446.511 4.173 5 20 IIBD CCCOc1ccc(CN(CCC)S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1OC 507491232 DHLYFIDMUSSYIT-UHFFFAOYSA-N 436.530 4.302 5 20 IIBD COc1cc(-c2noc(C3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)n2)ccn1 507686315 XLOAJUDPIVOMOA-UHFFFAOYSA-N 449.389 4.451 5 20 IIBD O=C(CCS(=O)(=O)[C@@H]1CCc2c(Cl)cc(Cl)cc21)Nc1ccccc1[N+](=O)[O-] 507709384 LSTBZAJKUWJRNY-QGZVFWFLSA-N 443.308 4.333 5 20 IIBD O=C(Nc1nc(-c2ccccc2)co1)c1ccc([N+](=O)[O-])cc1I 508529797 DIKYIVZBDNBDFA-UHFFFAOYSA-N 435.177 4.107 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 509256028 PSKMEILOBCLJKC-UHFFFAOYSA-N 425.875 4.181 5 20 IIBD COc1ccc(CSCC(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)cc1[N+](=O)[O-] 509328089 OUNJNMSFESLQMM-IBGZPJMESA-N 430.526 4.044 5 20 IIBD COc1cc(C(=O)N[C@@H](C)CCc2ccccc2)c([N+](=O)[O-])cc1OCc1cscn1 509895751 SDQOIGFIMWDQCA-HNNXBMFYSA-N 441.509 4.390 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N(Cc1cccs1)C[C@@H]1CCCO1 510859641 FKDIONBHCWHJOV-ZDUSSCGKSA-N 427.429 4.471 5 20 IIBD COCCCn1c(SCc2cc([N+](=O)[O-])ccc2OC(C)C)nc2ccccc2c1=O 511065276 NNOMCFSPPCGSHK-UHFFFAOYSA-N 443.525 4.421 5 20 IIBD CCCN(CCC)C(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 511135583 PGEAEWAAJHZACS-UHFFFAOYSA-N 439.921 4.311 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)cc1C 511697421 JYPPHHXBWYIEFP-OAHLLOKOSA-N 440.905 4.224 5 20 IIBD CN(C)C(=O)CC1CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 512225551 CEPPDXTZYHWYNA-UHFFFAOYSA-N 427.526 4.077 5 20 IIBD CCOC(=O)CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H](C)c1ccccc1 513919841 FWINHHZAWCMEEJ-AWEZNQCLSA-N 449.301 4.053 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 514823756 OSSHCYFMJYYLEW-UHFFFAOYSA-N 443.813 4.325 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 520052165 DEISLLYAIMQJHA-IAGOWNOFSA-N 425.363 4.377 5 20 IIBD CCN(C[C@@H]1CCCO1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 520107286 GXKZOBCENHTMAF-QFIPXVFZSA-N 434.496 4.018 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(Cc1cccnc1)Cc1ccccc1C 521046350 VUDYCQBICJIDFQ-UHFFFAOYSA-N 425.510 4.252 5 20 IIBD COc1ccc(C2(CNC(=O)NCc3cccc([N+](=O)[O-])c3)CCCCC2)cc1OC 522260284 TUBVQFHWCOSFPL-UHFFFAOYSA-N 427.501 4.313 5 20 IIBD CC(C)(NC(=O)c1cccc(Cl)c1)c1noc(-c2c[nH]c3cc([N+](=O)[O-])ccc23)n1 523107291 PRTZBEZCDBLNQL-UHFFFAOYSA-N 425.832 4.445 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl 524050231 MMFYTXFEXJPVDI-UHFFFAOYSA-N 441.296 4.256 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCC[C@@H]2CN2CCCCC2)cc1[N+](=O)[O-])c1ccccn1 524338751 KQMYFYDZPKYOSB-AZUAARDMSA-N 437.544 4.253 5 20 IIBD COc1cc(CN(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)ccc1OC(F)F 532717040 WOVNXPQJYJAWSF-UHFFFAOYSA-N 445.216 4.240 5 20 IIBD Cc1ccc(C(=O)C2CCN(CCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)CC2)c(C)c1 532905372 BJGVGRWUOVYTHL-UHFFFAOYSA-N 437.496 4.105 5 20 IIBD CN(C(=O)c1cc(I)cc([N+](=O)[O-])c1)c1ccc2ccccc2n1 534300895 ZOQWTGULMXGDBF-UHFFFAOYSA-N 433.205 4.024 5 20 IIBD O=C(Nc1cc(Cl)c(Cl)cn1)c1cc(I)cc([N+](=O)[O-])c1 535036773 DHBWVRNIMFTUBN-UHFFFAOYSA-N 438.008 4.154 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)[C@@H]1CCc2n[nH]cc2C1 536046995 DGADKQTUMIHWDJ-CYBMUJFWSA-N 444.850 4.324 5 20 IIBD O=C(c1cccc(F)c1I)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 536544940 WJVAKJXRZWAYAJ-UHFFFAOYSA-N 440.212 4.143 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C3)cs1 536683985 DXAVQUREVKHEIL-UHFFFAOYSA-N 435.552 4.144 5 20 IIBD COCc1nnc(-c2cccc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)c2)o1 537349795 UOHNFSBDGASQAF-UHFFFAOYSA-N 437.437 4.167 5 20 IIBD Cn1cc(C[C@H]2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2)cn1 538727575 CMNXJSQWBYUPCG-CQSZACIVSA-N 445.317 4.415 5 20 IIBD Cc1ccc(S(=O)(=O)NC[C@H](NCc2cccc([N+](=O)[O-])c2)c2ccccc2)c(C)c1 540457953 KGIATJCUXQGYRP-QFIPXVFZSA-N 439.537 4.021 5 20 IIBD COc1ccc(NC(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)cc1[N+](=O)[O-] 541104548 DGAXLCGLSKSCNG-UHFFFAOYSA-N 438.415 4.317 5 20 IIBD NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 542045558 VSZIISBEAVVMDU-GJZGRUSLSA-N 429.420 4.009 5 20 IIBD Cc1cc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)ccc1-n1nnnc1C(C)C 542433311 HKVZDLJWLXZALM-UHFFFAOYSA-N 435.488 4.199 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)cc1[N+](=O)[O-])c1ccccn1 543388914 AWNTVRSVIOLYLB-OAHLLOKOSA-N 443.467 4.211 5 20 IIBD C[C@@H](C(=O)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1)c1ccc(Cl)s1 544689864 UJNFWGLOIIBGKC-GFCCVEGCSA-N 433.921 4.028 5 20 IIBD Cn1ccc([C@@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2)n1 546567766 KACSDVWIOVVRIU-NRFANRHFSA-N 441.919 4.393 5 20 IIBD COc1cc(OC)cc(C2(F)CCN(CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)c1 549116671 PDBWFSHPVYQQQX-UHFFFAOYSA-N 445.491 4.210 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cc(C(C)C)nn1-c1ncccn1 550293120 GOCMRYWEYQRVPJ-UHFFFAOYSA-N 445.277 4.017 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc(Br)cn1 551677358 NDMDOCAVTSRXIU-SECBINFHSA-N 443.095 4.314 5 20 IIBD Cc1ccc(CN(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)o1 555251527 CNRBPEIFVDAHRX-UHFFFAOYSA-N 431.495 4.306 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H]1c1ccc(Br)cn1 559790941 LTWPRWYTSXRBRG-GOSISDBHSA-N 433.306 4.226 5 20 IIBD COc1cc(CSCc2ccc(S(C)(=O)=O)cc2)c([N+](=O)[O-])cc1OC(F)F 559954652 JZMJLQUNMHSLLC-UHFFFAOYSA-N 433.454 4.042 5 20 IIBD C[C@H](NC1C[C@@H]2CC[C@H](C1)N2CC(=O)N(C)C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 560582977 MHAAZCVTBNHLEW-OOKSDGMUSA-N 442.585 4.058 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc([C@@H]3CCN(c4ccccc4F)C3)n2)c(Br)c1 567549984 PFAQDDDLBFEQAP-CYBMUJFWSA-N 447.264 4.464 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@H](C)CN(C)Cc2ccccc2)cc1[N+](=O)[O-])c1ccccn1 568795457 PQCVUWVRCNHNFL-MOPGFXCFSA-N 447.539 4.413 5 20 IIBD O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[C@@H]1CCCO[C@H]1c1ccc(C(F)(F)F)cc1 572322595 UWQWJEZRFWTLRG-UGSOOPFHSA-N 434.370 4.378 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1SC 582089400 DQXBDLMDQXGKIP-YJBOKZPZSA-N 434.489 4.457 5 20 IIBD C[C@@H](NC(=O)Nc1ccc2c(c1)N(C(=O)C(C)(C)C)CCO2)c1cccc([N+](=O)[O-])c1 604087342 DPPWWFHDNCIBAO-CQSZACIVSA-N 426.473 4.249 5 20 IIBD CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 604192244 NPDDDNNIVQVPCA-UHFFFAOYSA-N 448.458 4.015 5 20 IIBD CCN(Cc1cnn(C)c1)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 604481931 JUGONNYZJBTBKX-UHFFFAOYSA-N 444.875 4.445 5 20 IIBD O=C(Nc1ccc(NCCc2ccccc2)cc1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 609477132 VAFKAJOVCXYQSE-UHFFFAOYSA-N 428.452 4.082 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(=O)n(Cc2ccccc2)n1 609755442 MBJJTLGMLYVLTF-UHFFFAOYSA-N 442.431 4.244 5 20 IIBD COC(=O)c1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1Cl 609817402 VSXRWBJJGPEREH-UHFFFAOYSA-N 432.738 4.228 5 20 IIBD CCOC(=O)[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1F 610088603 VXFJIKXFNSQLHG-PIGZYNQJSA-N 425.254 4.451 5 20 IIBD Cc1ccc2oc(CN(Cc3ccco3)S(=O)(=O)c3cccnc3[N+](=O)[O-])cc2c1 610264667 SVGFDPIAPSINNM-UHFFFAOYSA-N 427.438 4.029 5 20 IIBD C[C@@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccc2nc(O)[nH]c2c1 618807467 ZNNKAJTVLAQSRS-CQSZACIVSA-N 432.436 4.247 5 20 IIBD CCc1[nH]c(C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)c(C)c1C(=O)OC 619729483 NLNLHRODPXYBFF-UHFFFAOYSA-N 428.470 4.265 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 725812344 CHWLDRCFSLRHJC-PBHICJAKSA-N 431.493 4.037 5 20 IIBD O=C1Nc2cc(Cl)ccc2C1=C1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 726378013 NHZSYJSPGMGRAV-UHFFFAOYSA-N 440.887 4.079 5 20 IIBD O=C(CN1CCCCCCC1)Nc1ccc(NC(=O)NCc2ccccc2[N+](=O)[O-])cc1 727591710 CICPAGZDIYSOOA-UHFFFAOYSA-N 439.516 4.121 5 20 IIBD O=C(CN1CCC[C@@H]1c1ccccc1C(F)(F)F)Nc1cc2c(cc1[N+](=O)[O-])OCO2 728060334 MGZHNUQQPYURHL-OAHLLOKOSA-N 437.374 4.118 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c(N)c([N+](=O)[O-])c1 729285003 QNCPKKPIRKKPDP-AWEZNQCLSA-N 441.875 4.209 5 20 IIBD O=C(COC(=O)c1ccc(-c2ccc(F)cc2)cc1F)Nc1ccc(F)c([N+](=O)[O-])c1 730058466 ZOJINMABQROHSO-UHFFFAOYSA-N 430.338 4.475 5 20 IIBD Cc1nc(C(C)(C)C)sc1C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730702673 BMGDFAFCRSCSHB-AWEZNQCLSA-N 431.514 4.119 5 20 IIBD C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCCC[C@H]2c2cc3ccccc3[nH]2)C1=O 731027843 QUPITNLKMLTICR-URXFXBBRSA-N 447.495 4.028 5 20 IIBD CCOc1cc(NC(=O)NC[C@H](O)c2ccc3ccccc3c2)c([N+](=O)[O-])cc1OCC 731537693 ZRKXNSSIROYEMG-FQEVSTJZSA-N 439.468 4.401 5 20 IIBD CC1=C(C(=O)OC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1CCc1cccs1 731852412 PLMDRPCTWXUJQR-IBGZPJMESA-N 429.498 4.191 5 20 IIBD COC(=O)[C@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(Cl)c1 733823685 JNFLPYCSJHNXDO-MRXNPFEDSA-N 432.841 4.443 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)[C@H]1C[C@H]2CC[C@H]1O2 733839542 YIOYCXVVIYNSAT-WTLGNFPFSA-N 430.844 4.039 5 20 IIBD CCOc1ccc(C(=O)CCC(=O)OCc2ccc([N+](=O)[O-])cc2Br)cc1 740581360 QJVGPYDBAUUAFM-UHFFFAOYSA-N 436.258 4.462 5 20 IIBD CC(C)(C)OC(=O)N1CCc2c(cccc2NC(=O)NCCc2ccccc2[N+](=O)[O-])C1 743154540 IJCDTYTTWIWKRU-UHFFFAOYSA-N 440.500 4.252 5 20 IIBD COC(=O)c1cc2cc(COC(=O)Cn3c4ccccc4c(=O)c4ccccc43)ccc2o1 744640105 PATYQBGNTVGPNE-UHFFFAOYSA-N 441.439 4.431 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)OCc1ncc(-c2ccccc2Br)o1 744692301 DOIWBVLXIHMZPW-UHFFFAOYSA-N 433.214 4.135 5 20 IIBD CCS(=O)(=O)NCc1ccc(C(=O)OCc2nc3ccccc3c3ccccc23)cc1 745137781 CNNFFUVXIJQUFV-UHFFFAOYSA-N 434.517 4.184 5 20 IIBD Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 747957700 PZLLWQFOKIIZCW-HUUCEWRRSA-N 439.493 4.449 5 20 IIBD C[C@H](OC(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 748901145 JUNXKYWGXWWKQK-LBPRGKRZSA-N 446.423 4.225 5 20 IIBD Cc1c(C(=O)O[C@H](C)C(=O)Nc2ccc3ccccc3c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748946835 IYZLDUQZNRBAGJ-CQSZACIVSA-N 437.408 4.457 5 20 IIBD Cc1c(Cl)cccc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 748950344 KRYKPUUBQFSPFP-LBPRGKRZSA-N 435.820 4.266 5 20 IIBD CCNC(=O)c1cccc(OC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)c1 749513520 HVEGIMSABIAUFG-UHFFFAOYSA-N 436.420 4.365 5 20 IIBD C[C@H](OC(=O)CCc1cccc(F)c1F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 750255105 DYUVZPARQXIPRA-JTQLQIEISA-N 446.328 4.395 5 20 IIBD O=C(Nc1cccc(C(=O)Nc2ccccn2)c1)c1ccc(Br)c([N+](=O)[O-])c1 750565755 OXGOJRYWFLFOFJ-UHFFFAOYSA-N 441.241 4.257 5 20 IIBD C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 750915775 YSGYPQQEQYTMHV-BJOHPYRUSA-N 445.672 4.392 5 20 IIBD O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 751208726 ADVUYOHBZVWSLA-UHFFFAOYSA-N 447.709 4.199 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cnc(OCC2CC2)c(Cl)c1 751812237 RNBCTANVNFJZGM-UHFFFAOYSA-N 429.816 4.444 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1[N+](=O)[O-] 753091570 KGCNQUSGLBWWEE-UHFFFAOYSA-N 446.160 4.428 5 20 IIBD CCOc1ccccc1C(F)(F)C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 753496778 DVMBVQMPIJSPJH-LLVKDONJSA-N 442.802 4.309 5 20 IIBD Cc1nn(Cc2ccc(Cl)cc2)c(C)c1COC(=O)CCn1nc(C)c([N+](=O)[O-])c1C 754898161 IMPMJPFKKTZYMB-UHFFFAOYSA-N 445.907 4.057 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)Nc1ccc(N2CCCCC2)cc1 754982536 KWUKHUFKXYXSPI-UHFFFAOYSA-N 435.839 4.173 5 20 IIBD CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 755514954 HZWLGKUCOJFPQW-CQSZACIVSA-N 433.892 4.034 5 20 IIBD O=C(NCc1cc(Cl)cc2c1OCC2)c1cc(F)cc([N+](=O)[O-])c1Br 756356800 IRSLPBZYBREGKW-UHFFFAOYSA-N 429.629 4.015 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCc1noc(-c2cccc(Cl)c2)n1 756391054 KOWWBBOSBOZARM-SNVBAGLBSA-N 438.223 4.462 5 20 IIBD CC(=O)N(c1ccc(C)c(C)c1)c1nc(COC(=O)c2cccc([N+](=O)[O-])c2N)cs1 758954517 AFEVCACAMTUHFT-UHFFFAOYSA-N 440.481 4.292 5 20 IIBD Cc1sc2ncnc(SCC(=O)O[C@@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)c2c1C 759937340 WUNFUXMENQEEEE-UONOGXRCSA-N 447.542 4.232 5 20 IIBD COc1ccccc1[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C)c1ccccn1 760403338 ICILWIPRYXBZTH-HXUWFJFHSA-N 447.900 4.028 5 20 IIBD Cc1c(C(=O)NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 760692204 MAMNACGXWOVSEB-MRXNPFEDSA-N 442.255 4.280 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)n2)nc1 762326547 UDRZPZSDWNKWGP-UHFFFAOYSA-N 432.396 4.151 5 20 IIBD CN(CC1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1)C(=O)OC(C)(C)C 762597125 AYIWSUCYDUTVRM-UHFFFAOYSA-N 437.512 4.117 5 20 IIBD C[C@H](NC(=O)COC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 763408504 RYGSGSHEOXMWLH-NEPJUHHUSA-N 425.268 4.426 5 20 IIBD O=[N+]([O-])c1ccc(N[C@@H]2CCO[C@H](C3CC3)C2)c([N+](=O)[O-])c1N[C@H]1CCO[C@H](C2CC2)C1 765080960 QRWPRFBOXYPSHC-LPWQTFTOSA-N 446.504 4.242 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 765529439 WWDBGYGFEQOJJQ-HNNXBMFYSA-N 425.397 4.470 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 765812006 QVQUVQDTRAEIPZ-UHFFFAOYSA-N 436.468 4.463 5 20 IIBD O=C(CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)OCc1nc(C2CCCCC2)cs1 768492081 BZNCNYIYWOJOAZ-UHFFFAOYSA-N 437.905 4.226 5 20 IIBD CNC(=O)c1cc(Br)ccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 771461787 IJVRMPNWVQCFCP-UHFFFAOYSA-N 434.271 4.184 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H](C)[C@H](O)c2ccc(F)cc2)cc1 771685030 JQZVNECKQQMCDX-PEBXRYMYSA-N 440.427 4.387 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N(Cc1ccccc1[N+](=O)[O-])C1CC1 772436592 VCHPYDADZGKLIK-UHFFFAOYSA-N 426.248 4.132 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccc(Cl)cc1 773601247 WTXXSALVZVRZKP-MRVPVSSYSA-N 447.694 4.106 5 20 IIBD CC[C@H]1CN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC[C@H]1NC(=O)OC(C)(C)C 774638406 GPOFWRKAISFKMY-SUMWQHHRSA-N 437.928 4.181 5 20 IIBD COc1cc2c(cc1OC)[C@H](c1cccs1)N(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 776270929 GLQKVZYOAXRRKY-AUSIDOKSSA-N 440.521 4.355 5 20 IIBD C[C@H]1CN(c2ccc(NC3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2F)C[C@H](C)O1 776852029 JZXIGRJXOGGTHM-IRXDYDNUSA-N 428.508 4.428 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 777963153 HOHLVLQNCYPEGQ-WMZOPIPTSA-N 429.521 4.041 5 20 IIBD CC(C)(C)OC(=O)Nc1ccccc1CC(=O)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 778791539 FRYYMUHLPZMVAU-LJQANCHMSA-N 441.484 4.306 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NC(=O)c1cc(O)cc([N+](=O)[O-])c1 779356906 QGCWINKMUOMKEV-LJQANCHMSA-N 427.457 4.455 5 20 IIBD CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccc([N+](=O)[O-])s2)NC(=S)N1 782244927 LKZYCGNEJOTPGC-CQSZACIVSA-N 442.444 4.107 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)OCC[C@@H]2COC(C)(C)O2)cc1[N+](=O)[O-] 783410237 WFYNPQCOUVKGKT-OAHLLOKOSA-N 445.493 4.246 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)NC[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] 784350200 ITIYAXBGWXBCFK-OPAMFIHVSA-N 434.537 4.301 5 20 IIBD CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 784644590 VUDGERASGWHEEP-UHFFFAOYSA-N 431.492 4.109 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)C[C@H](C)c1c[nH]c2ccccc12 787228644 UWWGRQYJRGRVIL-UONOGXRCSA-N 425.441 4.149 5 20 IIBD O=[N+]([O-])c1ccc(Br)c2c1CN(C(=S)Nc1ccc(Cl)nc1)CC2 789349498 OEXJCQLDFMEBBC-UHFFFAOYSA-N 427.711 4.161 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H]1c1nc(-c2cccc(Br)c2)no1 789377208 LDRHSSZOVQWBNR-LBPRGKRZSA-N 449.286 4.446 5 20 IIBD CC(C)[C@@H](CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)c1cccnc1 790759665 HVVLKBJUSRLKSV-MRXNPFEDSA-N 447.333 4.260 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccn(-c2ncccc2C(F)(F)F)n1 790895008 QLZIEJLDUOFBOR-UHFFFAOYSA-N 443.744 4.168 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccc(C(=O)Nc2cccnc2)cc1 791124223 UZEDSHUBUKTNOW-UHFFFAOYSA-N 428.807 4.216 5 20 IIBD O=C(OCc1ccccc1)[C@@H]1CCCCN1C(=O)c1ccc(Br)c([N+](=O)[O-])c1 791961692 OWDLGUHBRBWVSX-KRWDZBQOSA-N 447.285 4.095 5 20 IIBD CN(Cc1ccc(Cl)s1)S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] 795775980 QLNXSWHOQBJEIQ-UHFFFAOYSA-N 443.703 4.032 5 20 IIBD O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)Oc2ccc(-c3noc(C4CC4)n3)cc2)c1 795823422 INWXDPYDZGGJJT-UHFFFAOYSA-N 439.808 4.082 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(O)(c2scnc2Br)CC1 797524491 QDFIAHSTUSLQAD-LBPRGKRZSA-N 426.336 4.167 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1 800631720 WEXYNNUSOGXKHO-UHFFFAOYSA-N 448.454 4.234 5 20 IIBD O=C(COC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)Nc1cc([N+](=O)[O-])ccc1Cl 801895142 KHWZAQAZNPITTE-OAHLLOKOSA-N 434.729 4.460 5 20 IIBD Cc1ccc(-c2csc(COC(=O)CNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 803256616 NLEUPMOAHFVEHW-UHFFFAOYSA-N 445.884 4.153 5 20 IIBD CCN(C)C(=O)CSc1ccc([C@H](C)OC(=O)c2cccc(OC)c2[N+](=O)[O-])cc1 809075749 KDNOXSKXENJXIJ-AWEZNQCLSA-N 432.498 4.092 5 20 IIBD O=[N+]([O-])c1ccc2cnn(Cc3nc(C4(c5cccc(C(F)(F)F)c5)CC4)no3)c2c1 809511741 RXLADKBUEKSCOT-UHFFFAOYSA-N 429.358 4.475 5 20 IIBD COc1cc(C(=O)OCc2ccc(OC(F)F)c(F)c2)c([N+](=O)[O-])cc1OC(F)F 813141411 DBXALLAPMKDFGI-UHFFFAOYSA-N 437.273 4.302 5 20 IIBD Cc1ccc(CC2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)CC2)cc1C 816785660 PZZSVSGBWJLIAG-UHFFFAOYSA-N 437.540 4.143 5 20 IIBD C/C=C/C=C/C(=O)O[C@H](c1ccccc1)[C@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 879392478 VRRSMFGGEXCIKK-KOTYYBHASA-N 444.509 4.021 5 20 IIBD CCOc1cc(NC(=O)c2ccc(CN3CCCCC3=O)cc2)c([N+](=O)[O-])cc1OCC 915143228 KDNFJIQSCZYCSX-UHFFFAOYSA-N 441.484 4.157 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cnn(-c2ccc(Br)cc2)c1 917069323 OOZMDNPTMZQXBQ-UHFFFAOYSA-N 449.692 4.469 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc1[N+](=O)[O-] 917779444 ZCUJGCWPXHLDPY-UHFFFAOYSA-N 426.429 4.080 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(OS(=O)(=O)c2ccc3oc4ccccc4c3c2)c1 917900203 TWPQYGUECMZYNJ-UHFFFAOYSA-N 427.390 4.049 5 20 IIBD COc1ccc([C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c2ccc(OC)cc2OC)cc1 1318408347 GYWPTWRKGYUOHC-QFIPXVFZSA-N 440.427 4.279 5 20 IIBD COc1c([N+](=O)[O-])cc(NC[C@H](OC)c2ccc(F)cc2)c([N+](=O)[O-])c1Br 1319124953 PCFLXSVWPYPZEU-ZDUSSCGKSA-N 444.213 4.213 5 20 IIBD CC(C)N1C(=O)C[C@@H](C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)[C@H]1c1ccc(Cl)c(F)c1 1337293521 MHCAEEHILMGYSS-DYESRHJHSA-N 445.878 4.228 5 20 IIBD COc1cc(CN2CCC[C@H]2CNc2cccc(C)n2)c([N+](=O)[O-])cc1OCC(F)F 1337451531 JSRWLABPKPESLX-INIZCTEOSA-N 436.459 4.027 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2cc(-c3ccc(Cl)cc3)nn2C)cccc1[N+](=O)[O-] 1340584490 XHEAAQWDCMNYQP-ZDUSSCGKSA-N 442.859 4.141 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@@H]3CCC(F)(F)C3)cc2)CCC1)c1ccc([N+](=O)[O-])o1 1785798162 QRRBWWTYTXTCHL-CYBMUJFWSA-N 433.411 4.371 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)CCc4cccc([N+](=O)[O-])c4)cc3)CCC2)on1 1786602661 ZILSZQGTCMWQSZ-UHFFFAOYSA-N 448.479 4.272 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@@H]3CCC=CO3)cc2)CCC1)c1cccc(F)c1[N+](=O)[O-] 1789503739 AEFLBOWNPSOAMI-IBGZPJMESA-N 439.443 4.174 5 20 IIBD O=C(/C=C/C1CCCCC1)Nc1ccc(C2(NC(=O)c3n[nH]cc3[N+](=O)[O-])CCC2)cc1 1790518385 GADYADZXUANXQI-KPKJPENVSA-N 437.500 4.202 5 20 IIBD COCC(=O)NC1(c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2)CCC1 1791011248 TWZLYJREMIMXHI-UHFFFAOYSA-N 439.493 4.204 5 20 IIBD C[C@]1(C(=O)N2CCC3(CCCN(C(=O)Cc4cccc([N+](=O)[O-])c4)C3)CC2)CC=CCC1 1804752956 NGHWBUZGZVCQOU-DEOSSOPVSA-N 439.556 4.115 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/C2CC2)n[nH]1 1814905114 XFNIEQFBLHAAAZ-RUJXFNLJSA-N 441.463 4.038 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCCC[C@@H]1C1CCN(C(=O)C23CCC(CC2)CC3)CC1 1823615850 NKIPOKXXEATUMS-ZIYFGUEUSA-N 443.544 4.392 5 20 IIBD Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)C3(C)CCC3)CC2)cc1[N+](=O)[O-] 1823709599 YRNNOZZUJKBDQD-OAQYLSRUSA-N 441.572 4.256 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCC3CCC3)CC2)ncc1[N+](=O)[O-] 1827827631 RGCUUTQSCQCTSL-OAQYLSRUSA-N 442.560 4.112 5 20 IIBD CC(C)CC(=O)N1CCC([C@H]2CCCCN2C(=O)CSc2ccccc2[N+](=O)[O-])CC1 1831775612 DBCBEBITLFXTHB-LJQANCHMSA-N 447.601 4.353 5 20 IIBD O=C(c1cccc(F)c1[N+](=O)[O-])N1CC2(CCCN2C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)C1 1843938921 LDJNYWRTKHQACO-OKZBNKHCSA-N 443.519 4.157 5 20 IIBD O=C(c1sccc1F)N1CC2(CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 1845738369 BRHXKJJSOIBBIV-UHFFFAOYSA-N 445.497 4.141 5 20 IIBD Cc1ccc(-c2cnc(CCC(=O)OCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1 11643475 KUUKEAFPHSTZRC-UHFFFAOYSA-N 443.843 4.326 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(F)cc3F)cc2)cc1[N+](=O)[O-] 15563972 FDAXZBXKLGIDAT-UHFFFAOYSA-N 447.419 4.235 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCCOc3ccc4ccccc4c3)cc2)c(C)c1[N+](=O)[O-] 16142333 WDAMTLXNSQKJOB-UHFFFAOYSA-N 444.491 4.418 5 20 IIBD C[C@H](OC(=O)CCCc1ccc(Br)s1)C(=O)Nc1cccc([N+](=O)[O-])c1 16257132 YKTZHYQIZDHQTO-NSHDSACASA-N 441.303 4.312 5 20 IIBD Nc1nc(CSc2nc3ccc([N+](=O)[O-])cc3s2)nc(Nc2ccc(F)cc2)n1 16616807 NVLCOTOCWZPIFA-UHFFFAOYSA-N 429.462 4.147 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 20856688 ZBHRIUWTFIHHMQ-CYBMUJFWSA-N 437.452 4.005 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2cc(Cl)cn2C)c2ccccc2)c([N+](=O)[O-])c1 26036395 QXJLMSNJSLJRTC-IBGZPJMESA-N 427.844 4.432 5 20 IIBD Cc1csc(Sc2ccc(C(=O)OCC(=O)NCc3cccs3)cc2[N+](=O)[O-])n1 28808054 HRLWROWCTPSWDB-UHFFFAOYSA-N 449.535 4.046 5 20 IIBD Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N[C@H]2CCCC[C@@H]2C)n1 28809993 RYNVAALYQLNXJO-LRDDRELGSA-N 449.554 4.363 5 20 IIBD COc1cc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1cccnc1 31447576 DUGQEGKOVDUPEA-UHFFFAOYSA-N 447.451 4.077 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCN(Cc3ccccc3)CC2)cc1 32641578 NHCNYOVVJDMKIT-UHFFFAOYSA-N 447.491 4.354 5 20 IIBD COc1ccc(Cl)cc1-c1n[nH]c(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)n1 68914792 KNXTXCADUCOEQI-SNVBAGLBSA-N 433.877 4.161 5 20 IIBD O=C(Nc1cc(Cl)ccc1O)C1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 301055859 APBOGLGNOVQRHA-UHFFFAOYSA-N 426.860 4.357 5 20 IIBD Cc1ccccc1-n1c(Sc2nc3sccn3c2[N+](=O)[O-])nnc1-c1cccnc1 301069296 DVIYHMPVNMGHGB-UHFFFAOYSA-N 435.494 4.406 5 20 IIBD CNC(=O)c1ccc(N2CCC[C@H]2c2cc(Br)ccc2OC)c([N+](=O)[O-])c1 301140943 IBSTYAZRBNVXRM-HNNXBMFYSA-N 434.290 4.067 5 20 IIBD O=c1c(Cl)c(NCc2ccc(Br)s2)cnn1-c1ccc([N+](=O)[O-])cc1 301148246 BYQUDNBJJGQSTH-UHFFFAOYSA-N 441.694 4.230 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NCc1ccccc1CN1CC[C@H](O)C1 302027863 APPFACOREVEMMN-AWEZNQCLSA-N 429.826 4.446 5 20 IIBD C[C@@H]1C[C@H](c2cccnc2)N(c2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])C1 302141194 PATBXEBDOSRQCC-IIBYNOLFSA-N 438.509 4.378 5 20 IIBD Cc1cc(N2CCN(C(=O)c3ccccc3OC(F)F)CC2)c2cc([N+](=O)[O-])ccc2n1 302209870 YHGNWRPYPYOESP-UHFFFAOYSA-N 442.422 4.015 5 20 IIBD CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 409825992 YKSGXWSXZMZLQL-CABCVRRESA-N 436.555 4.137 5 20 IIBD COc1ccc(C[C@H](NC(=O)c2cc(OC)ccc2[N+](=O)[O-])c2ccc(OC)cc2)cc1 409947036 KKMXIJWUFCUXQW-QFIPXVFZSA-N 436.464 4.334 5 20 IIBD CCOc1ccc(C(=O)N(C)[C@@H](c2ccc(Cl)cc2)c2cnccn2)cc1[N+](=O)[O-] 427446875 RFECBMMCLAXREH-FQEVSTJZSA-N 426.860 4.299 5 20 IIBD COC(=O)[C@H]1CC[C@@H](NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)C1 433936269 IAGUQLDFANLVAV-DZGCQCFKSA-N 448.859 4.121 5 20 IIBD CC(C)N(C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccc(F)cc1Cl 435714033 IAIUJVYQYLIYDH-UHFFFAOYSA-N 433.823 4.096 5 20 IIBD Cc1c(C(=O)N(C)c2nc3cccc(Cl)c3s2)nnn1-c1cccc([N+](=O)[O-])c1 436408459 MHQIUCFJBBUSNL-UHFFFAOYSA-N 428.861 4.024 5 20 IIBD COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1cccc([N+](=O)[O-])c1O)CC2 436937389 XTXHSVDWQMWDBW-JOCHJYFZSA-N 434.448 4.106 5 20 IIBD CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 437033647 AIHWKBJYAYBKEE-QFIPXVFZSA-N 439.559 4.135 5 20 IIBD COc1cc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc(OC)c1OC 437158382 ZTOXEWAUSNTCQU-SNVBAGLBSA-N 428.363 4.130 5 20 IIBD Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)Cc1cccc([N+](=O)[O-])c1C 439295725 IVFADIHUZHSLMB-OAQYLSRUSA-N 433.512 4.036 5 20 IIBD Cc1cc(CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)ccc1I 439465230 VQGLYUMVLJMRBC-UHFFFAOYSA-N 439.253 4.446 5 20 IIBD Cc1cc(C(=O)N(C[C@@H]2CCN(Cc3ccccc3)C2)CC(F)(F)F)cc([N+](=O)[O-])c1 440415566 LRGRFHIVISDQID-GOSISDBHSA-N 435.446 4.430 5 20 IIBD C[C@H](SCC(=O)Nc1ccccc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 443413415 ZMIKBPKWMNFDCO-ZDUSSCGKSA-N 442.522 4.417 5 20 IIBD Cc1nccc(-c2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)c2)n1 446993222 HJGSPBCXFHQZQZ-UHFFFAOYSA-N 438.387 4.180 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCC[C@H]2C(F)(F)F)c(Br)c1 447036091 CWKDWUCALHDRNW-GXSJLCMTSA-N 445.257 4.004 5 20 IIBD O=[N+]([O-])c1ccc(CN(c2nnc([C@H]3CCCO3)n2CCc2ccccc2)C2CC2)cc1 460432936 XISOJBZSTJIKND-JOCHJYFZSA-N 433.512 4.450 5 20 IIBD CCC[C@H](NC(=O)[C@@H](CC)Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2sccc2C1 462482101 DQOBBXZQGORRLW-PXNSSMCTSA-N 443.569 4.095 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(OCc2ccccc2OC)CC1 462620653 OXVVCCHKAYDWRL-LJQANCHMSA-N 426.513 4.380 5 20 IIBD CN(CC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl)c1ccccc1[N+](=O)[O-] 463487481 WNZYVKJZGOEQAZ-UHFFFAOYSA-N 434.283 4.221 5 20 IIBD Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1 464039757 MGCKOGYRBQHYED-UXHICEINSA-N 437.496 4.386 5 20 IIBD CCCN(CCc1cccs1)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 464194622 SXXDSQVOAPPTJD-HXUWFJFHSA-N 429.542 4.051 5 20 IIBD Cc1nn(C)c(C)c1CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 464503262 XXFYRFDEQOQQJP-UHFFFAOYSA-N 427.892 4.141 5 20 IIBD COc1cc(CCNC(=O)N(C)[C@H]2CCC[C@H]2c2ccc(C)cc2)c([N+](=O)[O-])cc1OC 465602263 RLPWEZDKRZVITG-PMACEKPBSA-N 441.528 4.441 5 20 IIBD O=C(NCc1ccc(NC(=O)c2ccco2)cc1)NCc1ccc([N+](=O)[O-])cc1Cl 466476680 YNGZEEYLYDJWTO-UHFFFAOYSA-N 428.832 4.093 5 20 IIBD Cc1sc(S(=O)(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)cc1[N+](=O)[O-] 466977434 QGVIOPNAPIWERA-UHFFFAOYSA-N 442.412 4.183 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 468099099 ZHYVAJUNVZXFHI-SFHVURJKSA-N 427.436 4.397 5 20 IIBD Cc1nn(CCC(=O)N[C@@H](c2cccc(F)c2)c2cccc(Cl)c2)c(C)c1[N+](=O)[O-] 468357037 OEAZATSINXOEFK-HXUWFJFHSA-N 430.867 4.497 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2cccc(C(F)(F)F)c2C)ccc1[N+](=O)[O-] 471839093 NZQCVRITTXJCFS-SFHVURJKSA-N 435.402 4.474 5 20 IIBD O=C(NC[C@H]1CCN(Cc2ccccc2)C1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 473296810 DJWBUDPWDVQPMB-QGZVFWFLSA-N 447.485 4.211 5 20 IIBD Cc1c(CNC(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@H]3C)cc2)cccc1[N+](=O)[O-] 481473058 MHIMJFQQESOIBT-IAGOWNOFSA-N 439.512 4.002 5 20 IIBD COc1ccc(-c2ccc(NS(=O)(=O)c3ccc(C)cc3[N+](=O)[O-])nc2)cc1Cl 481842038 BXXFOLYBEPOTHK-UHFFFAOYSA-N 433.873 4.428 5 20 IIBD COc1cc(CCNC(=O)N[C@H](c2cccc(C)c2)C(F)(F)F)c([N+](=O)[O-])cc1OC 482041897 MZXXYMSFMJTFEV-GOSISDBHSA-N 441.406 4.066 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 483302253 WZRILJSNQDRLHD-KBPBESRZSA-N 428.514 4.237 5 20 IIBD O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 487046310 WNMHXLSESACZIO-SFHVURJKSA-N 436.537 4.013 5 20 IIBD C[C@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cnn(Cc2ccccc2)c1 487852839 HJWANAJRHMGDOC-HNNXBMFYSA-N 427.892 4.096 5 20 IIBD Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)C2)cc1 489983099 MSOBLRCFZBECFQ-JMUQELJHSA-N 435.524 4.221 5 20 IIBD CC[C@@H](NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC)c1cccs1 493472419 KREBENDJOXVAQR-LLVKDONJSA-N 449.348 4.165 5 20 IIBD CCOC(=O)[C@H]1CCCc2sc(NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)nc21 493481756 QMEGSCROVNKICT-LBPRGKRZSA-N 443.403 4.305 5 20 IIBD COC(=O)c1ccc(Cl)cc1S(=O)(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 494497068 WARFTMPUTDYIJF-UHFFFAOYSA-N 438.889 4.173 5 20 IIBD C[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc2c(c1)CCC(=O)N2 494681463 KXJOZGPSRADSLF-NSHDSACASA-N 436.390 4.059 5 20 IIBD COc1ccc(I)c(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)c1 497312195 PIFJKSWBAKVXJG-UHFFFAOYSA-N 444.250 4.182 5 20 IIBD CN(c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])C1CCN(CCc2ccccn2)CC1 500573175 KMBQGPMVKXWEQW-UHFFFAOYSA-N 444.535 4.364 5 20 IIBD Cn1c([C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c2ccccc2)nc2ccccc21 503149185 ZDQZOXZOIDYSKW-DEOSSOPVSA-N 439.475 4.342 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2/C=C\c2ccccc2)c(C(F)(F)F)c1 503787816 ISQMTDYYGJILHR-CDNLZTBQSA-N 426.416 4.480 5 20 IIBD COc1ccccc1SC[C@@H](C)CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 505081900 NVOHWPMMAFSOBF-KRWDZBQOSA-N 443.569 4.364 5 20 IIBD CCCc1[nH]nc(C(=O)N[C@@H](C)c2sc(-c3ccc(OC)cc3)nc2C)c1[N+](=O)[O-] 506026044 CRMNSCJTEZGETJ-NSHDSACASA-N 429.502 4.202 5 20 IIBD C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-n2cccn2)c(F)c1 508781728 ZYRHORLGQMNZOA-QWHCGFSZSA-N 432.839 4.218 5 20 IIBD COc1c(C)ccc(NC(=O)c2ccc([N+](=O)[O-])cc2I)c1C 508926501 KCMBRWQJDJJTCN-UHFFFAOYSA-N 426.210 4.077 5 20 IIBD CSc1ccccc1NC(=O)c1cc([N+](=O)[O-])cc(I)c1C 509009599 ANXNKKDOFFBDBQ-UHFFFAOYSA-N 428.251 4.482 5 20 IIBD Cc1ccnc(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c1 509178525 NGLXVYPXFSVJIS-UHFFFAOYSA-N 427.464 4.010 5 20 IIBD CC[C@H](C)NC(=O)c1cccc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 509328884 VTOJRVJKFSWZMS-KRWDZBQOSA-N 426.517 4.243 5 20 IIBD COCCn1cc2c(n1)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)CCC2 509689951 AEKBHGXZPXOVCZ-HXUWFJFHSA-N 436.468 4.037 5 20 IIBD Cc1ccccc1C1(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCOCC1 510628293 HETHVLOFXLTLEZ-UHFFFAOYSA-N 435.427 4.375 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cccc(OCc3cccc(F)c3)c2)cc1[N+](=O)[O-] 511154440 JQQNLLCMBAXRMD-UHFFFAOYSA-N 432.429 4.122 5 20 IIBD CC(=O)c1c(C)[nH]c(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C(C)C 511506566 PNROCZLBXKWVQP-UHFFFAOYSA-N 440.422 4.418 5 20 IIBD Cc1ccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1OC(F)F 513326532 SJCUAJNMKULDMW-UHFFFAOYSA-N 435.412 4.037 5 20 IIBD COC(=O)Cc1ccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1 514046084 LUJSCVNJOIWUFU-IYBDPMFKSA-N 425.485 4.045 5 20 IIBD Cc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c1I 515216426 QMTXRLAMALMJOI-UHFFFAOYSA-N 448.163 4.362 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3ccccc3N3CCC(O)CC3)cc2[N+](=O)[O-])CC1 517469669 CTUZEWCFZPDGSU-UHFFFAOYSA-N 438.528 4.045 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1F 517870970 MJSNLRJNIRAYKJ-UHFFFAOYSA-N 430.457 4.134 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2ncc(-c3ccccc3)s2)c1 518241611 OAFRYUKLVPPSRS-UHFFFAOYSA-N 440.300 4.282 5 20 IIBD COc1ccc(-c2ccc(CNCCCCN3C(=O)c4ccccc4C3=O)o2)c([N+](=O)[O-])c1 518978893 JYIHSUGGOJINEU-UHFFFAOYSA-N 449.463 4.029 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CCCc3ccccc3)no2)c(I)c1 520302927 UUDBKEXADXUJKP-UHFFFAOYSA-N 435.221 4.425 5 20 IIBD Cc1c(NC(=O)[C@H](C)Nc2ccc(OCC(F)(F)C(F)F)nc2)cccc1[N+](=O)[O-] 520635061 DDOKOMKHUDCNSU-NSHDSACASA-N 430.358 4.017 5 20 IIBD O=C(Cn1cc(NCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cn1)NC1CC1 520964312 RLJVKRNEXIMOJL-UHFFFAOYSA-N 441.875 4.128 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@H]1CCCN(c2ccccc2)C1 522315377 YAUJYYAKOZEOSO-HNNXBMFYSA-N 439.459 4.491 5 20 IIBD Cc1nc(SCC(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)[nH]c1Cc1ccccc1 523163236 HBBVNBACQVELBN-UHFFFAOYSA-N 448.508 4.338 5 20 IIBD CCOC(=O)c1csc(N(C(=O)Cc2ccccc2[N+](=O)[O-])c2ccc(OC)cc2)n1 525351706 HRDZSXGBZINPRD-UHFFFAOYSA-N 441.465 4.144 5 20 IIBD O=C(NCc1ncc(-c2cccs2)[nH]1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 525931595 TVOXLGXDMWWRKM-UHFFFAOYSA-N 436.443 4.341 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccc(F)cc1Br 531027832 YEYHJPZNBGLSAZ-UHFFFAOYSA-N 432.043 4.440 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H](c2nc3ccccc3s2)C1 532626817 JLEHQLCLDRNITL-HNNXBMFYSA-N 440.525 4.421 5 20 IIBD COc1ccc(CNc2ccc3c(c2)oc(=O)n3C)cc1OCc1ccc([N+](=O)[O-])cc1 532729564 DDQQYNYCMMFAKE-UHFFFAOYSA-N 435.436 4.239 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC[C@H]3[C@H](O)C(F)(F)F)cc2[N+](=O)[O-])n1 533017782 HWHIGFZSSWZDEC-FZMZJTMJSA-N 447.460 4.039 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])N(CCCO)Cc1ccc(Cl)c(Cl)c1 533932534 YPNRJSXAXYLMKN-UHFFFAOYSA-N 427.284 4.082 5 20 IIBD Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 535196753 QFFJGTGNLPPNPN-LJQANCHMSA-N 433.512 4.158 5 20 IIBD O=C(Cc1cccc(OCc2cccnc2)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 536144100 NIALZAAHOCQKGC-UHFFFAOYSA-N 447.491 4.181 5 20 IIBD C[C@H](Cc1cc(Br)ccc1F)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 536231748 IVKWNAZIGZAZJL-LLVKDONJSA-N 434.265 4.268 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CCN2C[C@H](C)O[C@H](C)C2)CC1 537169898 KQDLENLVUSCJMV-HDICACEKSA-N 449.617 4.447 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CC(=O)N(Cc1ccccc1)Cc1ccc(Br)cc1 537885457 FXUYFEQYOLFFTD-UHFFFAOYSA-N 443.301 4.091 5 20 IIBD Cn1cc(C[C@@H]2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2)cn1 538727574 CMNXJSQWBYUPCG-AWEZNQCLSA-N 445.317 4.415 5 20 IIBD COC(=O)c1ccc(-c2csc(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)n2)cc1 542513882 ZPEGRXSJSMDZHJ-NSHDSACASA-N 429.429 4.386 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1CCN(CCc2ccccc2)C1 543288774 SEUGLGPPZMLMCW-KRWDZBQOSA-N 433.961 4.021 5 20 IIBD C[C@@H](NCCOc1ccccc1[N+](=O)[O-])c1nc(-c2ccc(Br)cc2)no1 543546537 MRQNZLAEFIGQMR-GFCCVEGCSA-N 433.262 4.137 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1nc(Cc2c[nH]c3cccc(Br)c23)no1 545080281 YBUGFJAQIGYQGV-UHFFFAOYSA-N 442.273 4.467 5 20 IIBD NC(=O)Nc1ccc(-c2noc(-c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)n2)cc1 545600308 AXSIMOCBIUYYKA-UHFFFAOYSA-N 430.424 4.415 5 20 IIBD COc1ccc(Cc2noc(Cn3ccc4cc([N+](=O)[O-])ccc43)n2)cc1OC(F)F 546362618 OBRSXFJPXNJGAY-UHFFFAOYSA-N 430.367 4.182 5 20 IIBD C[C@H]1CCCN1C(=O)c1ccc(-c2noc(Cn3ccc4cc([N+](=O)[O-])ccc43)n2)cc1 546560187 ITEYGZGOUSIYNC-HNNXBMFYSA-N 431.452 4.272 5 20 IIBD C[C@@H](NC1(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CCOCC1)c1ccccc1 546560240 VRWBMOASVNJYDY-QGZVFWFLSA-N 443.519 4.028 5 20 IIBD Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 546791706 TUTRHKJXHOIKPQ-UHFFFAOYSA-N 428.514 4.328 5 20 IIBD O=C(NC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1)C1CC1 547969191 BXHUKXICPVFLIE-UHFFFAOYSA-N 431.558 4.008 5 20 IIBD COc1cc(OC)cc(C2(F)CCN(c3ccc(C(=O)NC(C)C)cc3[N+](=O)[O-])CC2)c1 549262611 YFJYPXFZHUJJGT-UHFFFAOYSA-N 445.491 4.215 5 20 IIBD CC(C)CC[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 551417320 ZSMQPGLSBNXUIZ-BLLLJJGKSA-N 426.311 4.017 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](Cc2ccccc2)C(F)(F)F)cc1SC 558556824 WQJSAXDZXCVZTC-ZDUSSCGKSA-N 428.432 4.476 5 20 IIBD COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1 561078256 IEGOZWFYQDFSOQ-QFIPXVFZSA-N 428.510 4.052 5 20 IIBD COc1ccc(CC(=O)N(C)Cc2ccc(Br)cc2Cl)cc1[N+](=O)[O-] 564809750 JVEWWSZGGVFPKA-UHFFFAOYSA-N 427.682 4.220 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)c1 570883744 WLFGDJOKTJRXAX-QGZVFWFLSA-N 442.415 4.429 5 20 IIBD COc1cc(C(=O)N(CCN2CCCCCC2)C2CCC2)c([N+](=O)[O-])cc1OC(F)F 572561046 MJMPIVPGHFNDLL-UHFFFAOYSA-N 441.475 4.076 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2ccccc2F)C1 573272260 VZZABGIKITVLSO-CQSZACIVSA-N 432.473 4.019 5 20 IIBD Cc1cn(-c2cccc([N+](=O)[O-])c2)c(=O)n1Cc1nnc(-c2ccc(Cl)cc2Cl)o1 585707547 MLKKBBGMJKNZCS-UHFFFAOYSA-N 446.250 4.261 5 20 IIBD C[C@@H](NC(=O)c1cc2ccccc2c2cccnc12)c1cccc(S(=O)(=O)N(C)C)c1 589568840 UXEAKJHTBBXIMZ-MRXNPFEDSA-N 433.533 4.129 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@@H]3CC[C@](O)(C(F)(F)F)C3)cc2[N+](=O)[O-])n1 590433875 UGJLZDMQSPBTSE-BDJLRTHQSA-N 447.460 4.087 5 20 IIBD COc1ccc([C@H](Nc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])c2ccccc2)cc1 603872387 JXEKXYZXYUJLHG-XMMPIXPASA-N 447.491 4.277 5 20 IIBD COCCOc1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1Cl 604199073 FCDOHJDNZAICOY-UHFFFAOYSA-N 433.892 4.129 5 20 IIBD COc1cc(OCC(=O)Nc2ccc(SCc3cccnc3)cc2)ccc1[N+](=O)[O-] 604456783 OHEXMSVZRMBTHF-UHFFFAOYSA-N 425.466 4.308 5 20 IIBD COc1cc(OCC(=O)Nc2ccccc2CN2CCc3ccccc32)ccc1[N+](=O)[O-] 604457152 CZHXUSMEBKNWBG-UHFFFAOYSA-N 433.464 4.184 5 20 IIBD CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1 604477449 BHEDXGXHSZKWCV-MRXNPFEDSA-N 437.500 4.301 5 20 IIBD CCOc1cc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])cc1OCC 608869988 GLIPJTFQYPDMHM-GOSISDBHSA-N 427.501 4.243 5 20 IIBD O=C(N[C@@H]1CCCc2occc21)c1ccc(C(=O)N[C@@H]2CCCc3occc32)c([N+](=O)[O-])c1 609043672 IFHZOQIJVDFJLG-RTBURBONSA-N 449.463 4.396 5 20 IIBD Cc1ccc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c(C)c1S(=O)(=O)NC1CC1 610121018 HKLRWSVEVFXESG-UHFFFAOYSA-N 445.541 4.202 5 20 IIBD COc1ccc([N+](=O)[O-])c(N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)c1 610275347 UYQRAVMXZOSSFC-UHFFFAOYSA-N 434.290 4.221 5 20 IIBD O=C(NCCOC[C@H]1CCOC1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 613441308 KSSYUBMVJDAJAJ-AWEZNQCLSA-N 436.917 4.182 5 20 IIBD Cc1cc(N2CCC(NC(=O)c3cc([N+](=O)[O-])ccc3SC3CCCC3)CC2)n[nH]1 615283846 OKKQKWNCQFSFDV-UHFFFAOYSA-N 429.546 4.060 5 20 IIBD Cc1ccc(Cl)cc1N1CC[C@@H](CNc2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])C1 726594876 HPHQGDZCPFKNFV-AWEZNQCLSA-N 434.880 4.204 5 20 IIBD Cc1nn(CCC(=O)OCC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)c(C)c1[N+](=O)[O-] 726647844 SMDCKPIIBDTVHD-UHFFFAOYSA-N 446.463 4.373 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CC[C@@H](O)c1ccc(C(C)(C)C)cc1 726870512 AVADSDYCLDOEOR-HXUWFJFHSA-N 428.485 4.196 5 20 IIBD C[C@@H]1CCN(C(=O)c2ccc(I)c([N+](=O)[O-])c2)[C@H]2CCCC[C@H]21 727749970 WKCNBECIYKFEDU-ZLDLUXBVSA-N 428.270 4.240 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1SC 728658757 WUQOGYXWIWLJOD-SECBINFHSA-N 442.852 4.302 5 20 IIBD COc1ccc(/C=C2\N=C(c3c(Cl)cccc3[N+](=O)[O-])OC2=O)cc1Br 730957730 IWCSZCIPMNOQIH-WQLSENKSSA-N 437.633 4.364 5 20 IIBD Cc1ccc(CNC(=O)C2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)cc1F 731206971 XTAOTFRRJGZSTQ-UHFFFAOYSA-N 428.489 4.185 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccc(-c3nc(-c4ccsc4)no3)cc2)c1 731787995 DFCQAJKAUVTTCV-UHFFFAOYSA-N 429.435 4.141 5 20 IIBD O=C(Nc1cccc(C[S@](=O)Cc2ccccc2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 734788545 OMIKZQWPIWIHEP-WJOKGBTCSA-N 439.449 4.204 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 734790696 XPSQTDSHCLLMLK-WJOKGBTCSA-N 442.468 4.200 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])OCc1noc(-c2ccc(Cl)cc2)n1 735149226 VAEMATVCXAEGHY-UHFFFAOYSA-N 438.223 4.464 5 20 IIBD Cc1oc(-c2ccccc2F)nc1C(=O)O[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 738670137 BAQSLGFMBCTBHJ-LLVKDONJSA-N 431.351 4.020 5 20 IIBD CC(C)[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)N(C)C1CCCCC1 740409930 JTUNKRNWYDHDAZ-QGZVFWFLSA-N 441.322 4.330 5 20 IIBD CN1C(=O)CC[C@@H](COC(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H]1c1cccc(Cl)c1 740607075 ZWOUFFUPOZGUAY-AOMKIAJQSA-N 445.903 4.203 5 20 IIBD CSc1ccc(O[C@H](C)C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 740995953 OQMBMLWDTZMZNF-QWHCGFSZSA-N 429.454 4.438 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 742873825 VUFHPBZEJSDAEU-UHFFFAOYSA-N 439.346 4.205 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)C[C@@H](Cc1ccccc1)c1ccccc1 744040963 OUSGVOPSHRBAKA-HXUWFJFHSA-N 438.505 4.125 5 20 IIBD C[C@H](OC(=O)CCOc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1cccc2ccccc12 744731169 LRNVUQRBJCWEML-SJORKVTESA-N 436.464 4.326 5 20 IIBD COC(=O)[C@@H](OC(=O)CCOc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl 744818531 WWOVPARZAUGVCQ-KRWDZBQOSA-N 428.224 4.128 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Cl 745567757 DKLDDEVYFXNQLJ-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD CCc1ccc(NC(=O)[C@H](C)OC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 747955808 MQAIVZBSIHSHLN-ZDUSSCGKSA-N 425.466 4.465 5 20 IIBD Cc1cc(O[C@H](C)C(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)ccc1Cl 750434762 YOHVKYONAVXBEI-OAHLLOKOSA-N 433.892 4.179 5 20 IIBD O=C(Nc1ccc(CN2C(=O)CSC2=O)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 751131279 RPDJAXJZTHVXIF-UHFFFAOYSA-N 427.463 4.257 5 20 IIBD COc1cc(C(=O)N2CCC(OC(C)=O)CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 753722738 FYIMTYZJZWNAEK-UHFFFAOYSA-N 448.859 4.217 5 20 IIBD C[C@H]1COCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)C1 754235460 SIEMMQPFWKKXIX-LJQANCHMSA-N 437.540 4.162 5 20 IIBD O=C(OCCCNc1ncnc2ccccc12)c1csc(-c2cccc([N+](=O)[O-])c2)n1 754741488 QORKNYAQJJIISQ-UHFFFAOYSA-N 435.465 4.321 5 20 IIBD CC(C)[C@@H](OC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)N1CCc2sccc2C1 755059624 CMHBTJIHPKWGPX-BFUOFWGJSA-N 434.489 4.052 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1 755337436 DFAGCZAGRRMOHU-UHFFFAOYSA-N 444.492 4.316 5 20 IIBD Cc1nn(C)c(C)c1[C@@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(F)(F)F 760756277 BPWNHHGKWSKSMA-QGZVFWFLSA-N 426.395 4.006 5 20 IIBD COc1cc(Cc2noc(-c3csc(-c4ccc([N+](=O)[O-])cc4)n3)n2)ccc1[N+](=O)[O-] 762307571 FWNNIUCZFJERHA-UHFFFAOYSA-N 439.409 4.276 5 20 IIBD COc1cc(Cc2noc([C@H]3CC34CCN(C(=O)OC(C)(C)C)CC4)n2)ccc1[N+](=O)[O-] 762309659 RSVLGFHIAUISON-OAHLLOKOSA-N 444.488 4.082 5 20 IIBD C[C@H]1[C@H](C(F)(F)F)OC(=O)N1c1ncccc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 764308238 ZLHDIDTWAJRNDA-ISVAXAHUSA-N 444.753 4.172 5 20 IIBD Cc1cnc([C@H](C)OC(=O)c2cc(C(=O)O[C@@H](C)c3ncc(C)o3)cc([N+](=O)[O-])c2)o1 764580215 YFNJAJSRQHUILT-STQMWFEESA-N 429.385 4.024 5 20 IIBD COc1ccc(C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)nc1Cl 766339000 MBIUTIXYAGRMKZ-UHFFFAOYSA-N 427.800 4.123 5 20 IIBD O=C(NC[C@H](O)c1ccc(-c2ccccc2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 768561561 PWRQGFHMCWRMKR-DEOSSOPVSA-N 431.492 4.325 5 20 IIBD COc1cc(/C=C(/C(=O)NCc2ccccc2)c2nc3ccccc3[nH]2)ccc1[N+](=O)[O-] 770566698 PDRDGBPAIPJPRT-QGOAFFKASA-N 428.448 4.337 5 20 IIBD COc1ccc(NC(=O)c2nnc(/C(Cl)=C\c3cc(O)ccc3[N+](=O)[O-])s2)cc1 772796752 LFZQJQVDNFLQJN-NTEUORMPSA-N 432.845 4.150 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)S(=O)(=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 778559970 HRVGTCUZDSCRAS-CYBMUJFWSA-N 431.426 4.142 5 20 IIBD O=Cc1ccc(OCC(=O)Nc2ccccc2Nc2ccc(F)cc2F)c([N+](=O)[O-])c1 779072281 HERLGKRBEFOFIQ-UHFFFAOYSA-N 427.363 4.447 5 20 IIBD CC(C)(C)OC(=O)N1CCC(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 780546352 WMGKMOPSGFZORS-UHFFFAOYSA-N 435.524 4.058 5 20 IIBD Cc1cc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)ccc1N1CCOCC1 781008566 BXSUQJUTYMODMN-UHFFFAOYSA-N 449.457 4.357 5 20 IIBD C[C@H](NC(=O)COC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1cccs1 781255417 CCWOPTDLAQAAFP-NSHDSACASA-N 442.443 4.055 5 20 IIBD CC(C)(C)OC(=O)NCCCOC1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 782488261 TYWJPWGQZZYBCF-UHFFFAOYSA-N 427.929 4.144 5 20 IIBD O=C(CCN1CC=C(c2c[nH]c3cc(F)ccc23)CC1)Nc1cc([N+](=O)[O-])ccc1F 782512253 DBMYTFPTILBEGH-UHFFFAOYSA-N 426.423 4.472 5 20 IIBD CC[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br)c1ccc(C)cc1 784611637 IUQCNCPWYJFTEP-OAHLLOKOSA-N 434.290 4.180 5 20 IIBD CC(=O)Nc1cccc(C(=O)OCCOc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1C 785884637 HFKNLQYBTQVIDX-UHFFFAOYSA-N 426.347 4.116 5 20 IIBD O=C(COC(=O)Cc1nc(-c2ccc(F)cc2)cs1)Nc1cc([N+](=O)[O-])ccc1Cl 787003436 XVIPPQJJSXREIR-UHFFFAOYSA-N 449.847 4.235 5 20 IIBD COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(OC(C)C)c1 789216901 OQJHVESZCZLGDA-LBPRGKRZSA-N 436.848 4.228 5 20 IIBD COc1ccc(CCCC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cc1 791173184 BLFKHEBNMFHGLU-UHFFFAOYSA-N 433.302 4.274 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Oc1ccc2c(c1)C(=O)CC(C)(C)O2 797170114 ZGOINKPJJBFATO-UHFFFAOYSA-N 431.466 4.296 5 20 IIBD CC1(C)C[C@H](OC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c2ccccc2O1 799434325 NODMVBOFXDKRPO-ZBFHGGJFSA-N 430.482 4.107 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1c(Br)sc(C)c1C 799544046 BDBANXMSYOCXGT-UHFFFAOYSA-N 427.276 4.140 5 20 IIBD COc1ccc(CCN(CC(C)(C)C)C(=O)C(=O)Nc2c(F)ccc([N+](=O)[O-])c2C)cc1 800605971 DWHDBJDWRXEAGY-UHFFFAOYSA-N 445.491 4.107 5 20 IIBD O=C(COC(=O)c1ccccc1Oc1ccncc1)Nc1ccc(Cl)cc1[N+](=O)[O-] 801500726 VSDWFUGYNDSKAS-UHFFFAOYSA-N 427.800 4.231 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)c1ccc(NC(=O)c2ccc(F)cc2)cc1 801830112 CUINHVMXOHSXFK-LBPRGKRZSA-N 440.406 4.199 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C(F)(F)F)cc(Br)n1 806799833 BYLJFHALMKTWRH-UHFFFAOYSA-N 447.211 4.478 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N[C@H](c1ccccc1)C1CCCC1 810353550 MEYOHVCSJKDNFE-GOSISDBHSA-N 446.301 4.344 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1c(F)cc(C(F)(F)F)cc1F 811418903 QSQRFZNQOMGTCH-UHFFFAOYSA-N 429.257 4.299 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)/C=C\c1ccc(I)o1 811931320 YUQBOUYAYQHTEL-DAXSKMNVSA-N 446.628 4.118 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([C@@H](O)c2ccc(OC)cc2)CC1 812630491 AZQQEWSKABCROU-MBSDFSHPSA-N 426.513 4.144 5 20 IIBD O=C(Nc1ccc(F)cc1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 813405500 PJQLMSRBNYKGGP-UHFFFAOYSA-N 441.246 4.031 5 20 IIBD O=[N+]([O-])c1cc(CN[C@@H](CO)c2ccc(Br)c(F)c2)ccc1Br 813791815 FZQRNBJNNHIPQY-AWEZNQCLSA-N 448.086 4.082 5 20 IIBD O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N(Cc1ccccc1)CC1CCOCC1 815013792 YMRIMNSWZKWVGB-UHFFFAOYSA-N 442.896 4.005 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC12CCC2 816850886 HHFKVXKOORRGBI-HNNXBMFYSA-N 439.459 4.125 5 20 IIBD COc1ccc(CNc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)cc1[N+](=O)[O-] 863990164 LWFFFIAEIRZNJP-UHFFFAOYSA-N 433.530 4.169 5 20 IIBD CC(C)NS(=O)(=O)Cc1ccc(CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1 864000771 ZXEXJNHZYOSTJP-UHFFFAOYSA-N 432.329 4.342 5 20 IIBD CC(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 915562121 BDLUDTGBZVKARN-CYBMUJFWSA-N 439.449 4.105 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OCc1nnc(-c2cc3c(s2)CCCC3)o1 916428807 JXAIEEFXYYWSHJ-UHFFFAOYSA-N 428.470 4.008 5 20 IIBD COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 918096843 DTVXPOBUNPWWJH-KRWDZBQOSA-N 446.257 4.075 5 20 IIBD CCc1cccc2c(C3CCN(C(=O)Cn4ncc5ccc([N+](=O)[O-])cc54)CC3)c[nH]c12 918380870 OQGYCAZICXHKPS-UHFFFAOYSA-N 431.496 4.394 5 20 IIBD Cc1nc(-c2cccs2)sc1C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 919004930 QZECYGNWTVOXJP-UHFFFAOYSA-N 428.451 4.495 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1 919712222 CMRHVJNYSDMJQY-SZRHCGQDSA-N 441.915 4.301 5 20 IIBD O=c1c2ccccc2c(-c2ccc(F)c(F)c2)nn1CN1CCc2ccc([N+](=O)[O-])cc21 919948014 RMXJDLUKQBSDKG-UHFFFAOYSA-N 434.402 4.270 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@@H]1COc1ccc(Cl)cc1 920315034 AMQYRXHEKZOVOB-CYBMUJFWSA-N 431.297 4.134 5 20 IIBD Cc1ccc(-c2nnc([C@H](C)OC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)o2)cc1 920552214 TZEZYJNZSVCNME-AWEZNQCLSA-N 433.424 4.272 5 20 IIBD Cc1csc(CCCNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1 1318322237 MPWDCQBTOLKMOI-OAHLLOKOSA-N 425.514 4.290 5 20 IIBD Cc1nc2ccccc2n1Cc1nnc(-c2cc(F)cc([N+](=O)[O-])c2Br)o1 1322136568 GHJGRKWWVRUGMO-UHFFFAOYSA-N 432.209 4.253 5 20 IIBD Cc1ccc(-n2nc(C)cc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 1340843005 LRLVYMJVWCESNH-UHFFFAOYSA-N 440.403 4.217 5 20 IIBD O=C(CCCc1ccncc1)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1 1786904816 ZFKLPPHSCMYUBH-UHFFFAOYSA-N 448.479 4.353 5 20 IIBD CC(C)CC(=O)Nc1ccc(C2(NC(=O)c3cc(N(C)C)ccc3[N+](=O)[O-])CCC2)cc1 1787662971 UYTMWDRYUDXDHE-UHFFFAOYSA-N 438.528 4.455 5 20 IIBD COc1cc(C(=O)NC2(c3ccc(NC(=O)C(C)(F)F)cc3)CCC2)ccc1[N+](=O)[O-] 1787935580 QLRMNXTTWUQQIB-UHFFFAOYSA-N 433.411 4.006 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(F)cc4)CCC3)cc2)ncc1[N+](=O)[O-] 1788766536 AHFQAKJMMFRTLN-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)[C@H]4CCC[C@@H]4C)cc3)CCC2)ncc1[N+](=O)[O-] 1789207539 PEOQUUWKMQGIRM-KXBFYZLASA-N 436.512 4.482 5 20 IIBD O=C(Cc1cc(F)ccc1[N+](=O)[O-])NC1(c2ccc(NC(=O)c3ccc[nH]3)cc2)CCC1 1789686024 VOCGFNWYKBXQKK-UHFFFAOYSA-N 436.443 4.052 5 20 IIBD C[C@@H](Oc1ccccc1)C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1 1790186109 HMAFCSZLHFFUPM-MRXNPFEDSA-N 448.479 4.138 5 20 IIBD CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 1800349148 IYZIIVWFRRWYMU-AJYBTWMASA-N 439.487 4.180 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](F)c1ccccc1)C2 1800697339 PIVNLKHRZHSKJV-DLRJPAPCSA-N 443.450 4.005 5 20 IIBD Cc1ccc(C)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc([N+](=O)[O-])o3)n[nH]2)c1 1814313289 GVQVPUBENKHDLL-QGZVFWFLSA-N 437.456 4.147 5 20 IIBD O=C(/C=C/c1cccs1)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823611529 HCFKLFKDDONHPR-JHTBKMLMSA-N 443.525 4.196 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC2(CCCN2C(=O)/C=C/c2cc3ccccc3o2)C1 1843835685 KQKFNWFKRLBXFO-VOTSOKGWSA-N 449.438 4.011 5 20 IIBD COc1ccc(Br)cc1/C=C1\N=C(c2ccc(Cl)c([N+](=O)[O-])c2)OC1=O 3087568 AAMXLPJEYHGKHC-QPEQYQDCSA-N 437.633 4.364 5 20 IIBD CCOC(=O)c1cc(C(=O)OCC(=O)Nc2ccc(-c3ccccc3)cc2)cc([N+](=O)[O-])c1 10854564 ZGZAWVUQADOTEN-UHFFFAOYSA-N 448.431 4.234 5 20 IIBD Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)CCNc2ccccc2[N+](=O)[O-])o1 11315671 ZZZWVWQEMHBVGG-UHFFFAOYSA-N 449.423 4.154 5 20 IIBD O=C(Nc1cccc(I)c1)c1ccc(Br)c([N+](=O)[O-])c1 15700050 ADQUEROXVRTSOR-UHFFFAOYSA-N 447.026 4.214 5 20 IIBD COc1ccc(NC(=O)c2ccccc2NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 59392562 MOLNRHDIPDQMNN-UHFFFAOYSA-N 436.380 4.016 5 20 IIBD Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1NS(=O)(=O)c1ccccc1 60414597 RPBKIVCKIPTUIB-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD CC(C)N(CC(=O)Nc1cc2c(cc1Cl)OCCCO2)Cc1ccc([N+](=O)[O-])cc1 64350104 VFQZMYCQLXOVSE-UHFFFAOYSA-N 433.892 4.259 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2cccc(-c3nnco3)c2)cc1[N+](=O)[O-])c1ccccn1 64854890 COTFPDKYFIXDLC-AWEZNQCLSA-N 430.424 4.465 5 20 IIBD Cn1cc(C(=O)NCc2cccnc2Oc2cccc(F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 64880803 QDJXJZTXQWLPGH-UHFFFAOYSA-N 447.426 4.252 5 20 IIBD O=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)NCc1ccc([N+](=O)[O-])cc1 108824282 YHXZBRKUYIUYBQ-UHFFFAOYSA-N 429.432 4.452 5 20 IIBD Cc1ccc(NC(=O)C2(CNc3ccc([N+](=O)[O-])cc3S(C)(=O)=O)CCCC2)cc1C 302622009 HBFXPVNEYZDUIL-UHFFFAOYSA-N 445.541 4.226 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(F)cc1OCCC(F)(F)F 409876007 NTKYAZZWSAAEBO-UHFFFAOYSA-N 431.342 4.124 5 20 IIBD COc1ccc(CN[C@@H]2CCCC[C@@]2(C)C(=O)O)cc1OCc1ccc([N+](=O)[O-])cc1 426749108 COXWLOOEJVTSLS-FYYLOGMGSA-N 428.485 4.306 5 20 IIBD COc1cc(C[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)C(=O)O)cc(OC)c1 426809605 FLEKFICECFPEKA-IBGZPJMESA-N 442.493 4.126 5 20 IIBD C[C@H](c1ccc(Br)cc1)[S@@](=O)Cc1cc([N+](=O)[O-])cc2c1OCOC2 427178762 MZVRYFPDSGYYPH-NDHGSNPTSA-N 426.288 4.234 5 20 IIBD COc1ccc(-c2ccc(CNC[C@@]3(CO)C[C@@H]3c3ccc(F)cc3)o2)c([N+](=O)[O-])c1 428556374 FNYCJXPLFOUYBV-NFBKMPQASA-N 426.444 4.258 5 20 IIBD CCOc1ccc([C@@H](C)NC[C@@H](CO)Cc2ccccc2Br)cc1[N+](=O)[O-] 429420472 VZFLEWGIYXHKTM-CABCVRRESA-N 437.334 4.258 5 20 IIBD O=C(NC[C@@]1(CO)C[C@@H]1c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 429612434 QHPDAMJJGGBTBN-CRAIPNDOSA-N 427.354 4.040 5 20 IIBD COc1ccc([C@@H]2CCCN2C(=O)c2ccc(Br)cc2[N+](=O)[O-])c(OC)c1 429967060 WCEUBBFVVKXKMA-INIZCTEOSA-N 435.274 4.352 5 20 IIBD O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)c1ccc(Br)cc1[N+](=O)[O-] 431033121 GUPPTYMWMONYSS-ZDUSSCGKSA-N 438.347 4.061 5 20 IIBD C[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1noc(Cc2ccccc2)n1 431409120 ZYBSZDNEMGORJT-NSHDSACASA-N 433.371 4.053 5 20 IIBD COc1cc([C@H](C)NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc(OC)c1OC 436109746 QXGWHRQYIRWDGA-AWEZNQCLSA-N 432.476 4.198 5 20 IIBD COC(=O)c1cc(S(=O)(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cs1 438770804 GOTGGJSQFLMRNZ-UHFFFAOYSA-N 434.451 4.036 5 20 IIBD C[C@@H](CCC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1 441293037 VKWQWNKSFMEAAE-AWEZNQCLSA-N 445.522 4.407 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCCC[C@H]1c1nc2ccccc2o1 441682634 SXFAYPCACIKNSB-INIZCTEOSA-N 428.832 4.082 5 20 IIBD C[C@@H]1CN(C2CCN(C(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])CC2)CCO1 442728046 DDNYMLHAKTXHPA-QGZVFWFLSA-N 441.553 4.071 5 20 IIBD CCCCOc1c(Cl)cc(C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1OC 444635638 LHLLLKSNAUKDKW-UHFFFAOYSA-N 432.864 4.242 5 20 IIBD O=C(NCc1ccnc(OC2CCCC2)c1)c1sc(Br)cc1[N+](=O)[O-] 444851831 BYGWRGXDWGINRY-UHFFFAOYSA-N 426.292 4.065 5 20 IIBD C[C@H](c1nc(CC(=O)Nc2cccc(C(F)(F)F)c2)no1)c1ccc([N+](=O)[O-])cc1F 445186787 GABOPYHNPSYDTF-JTQLQIEISA-N 438.337 4.469 5 20 IIBD Cn1ccnc1Sc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1 445667411 ZSCDEPDQIYDDPF-UHFFFAOYSA-N 447.314 4.423 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N(Cc1ccc(F)cc1F)C1CC1 445692518 WEENJYJKBSSLLP-UHFFFAOYSA-N 425.229 4.369 5 20 IIBD CCOc1cc(C(=O)N2C[C@@H](c3cccc(Cl)c3)OC[C@H]2C)c([N+](=O)[O-])cc1OC 446250461 UPSWRXQAPYGGRV-XCLFUZPHSA-N 434.876 4.258 5 20 IIBD COC1(CO)CCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC1 446991477 XJXNJVHUQNCONR-UHFFFAOYSA-N 436.917 4.013 5 20 IIBD CN(CCCCc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 447031104 WZVWEOJDGIMEBB-UHFFFAOYSA-N 427.320 4.001 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2cc([C@H]3CCCO3)nn2C)cc1[N+](=O)[O-])c1ccccn1 447652482 GDPSQRMGJPURNM-JLTOFOAXSA-N 436.472 4.000 5 20 IIBD C[C@H](Nc1cc(CN2CCOCC2)ccc1[N+](=O)[O-])c1ccc(Br)s1 447810425 ITMBWAMDEHTBLO-LBPRGKRZSA-N 426.336 4.424 5 20 IIBD Cc1cccnc1-c1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1CCc1ccccc1 460439829 VYSZZGILGGWXJB-UHFFFAOYSA-N 440.507 4.362 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](c1cc(F)ccc1F)c1ccccc1Cl 460573626 LDSVJTBVCHRYLA-FQEVSTJZSA-N 434.830 4.327 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N(CCc1cccc(F)c1)C1CC1 462136515 GIOVGKNTKZGSHG-UHFFFAOYSA-N 433.288 4.437 5 20 IIBD Cc1ccc(C)n1C1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 462268730 LOAOKAMGYFZRJG-UHFFFAOYSA-N 432.329 4.346 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(=O)N2CCSCC2)cc1C 462496302 QMCHVUQNGXPSBD-GOSISDBHSA-N 441.553 4.300 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 463953455 VVQXTKYUNUOTHP-CQSZACIVSA-N 431.880 4.143 5 20 IIBD CC(C)(C(=O)NCC1(c2cccc(Br)c2)CCCCC1)n1cc([N+](=O)[O-])cn1 464125906 AIPBPWYHJZSWFI-UHFFFAOYSA-N 449.349 4.307 5 20 IIBD CC(C)(CNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Cc1cccc(Cl)c1 465017109 KPBKZSHLTQUWHM-UHFFFAOYSA-N 445.903 4.321 5 20 IIBD C[C@@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(NC(=O)NC2CC2)cc1 467214912 FZBBYRUHYAPPER-GFCCVEGCSA-N 431.880 4.093 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCOc2ccc(Br)cc21 468219267 RCWXUXLLQLJMRE-UHFFFAOYSA-N 442.063 4.159 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(CN2CCc3ccccc32)cc1 469417074 YTQVHLBDRLHRGB-FQEVSTJZSA-N 448.527 4.029 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1nc(/C=C/c2ccccc2)cs1 469535459 MJHLMALKABJILC-SIFUEBAJSA-N 426.502 4.093 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(Oc2cccc(C)c2C)nc1 469908570 QTNUFDCICQLMMA-KRWDZBQOSA-N 438.488 4.270 5 20 IIBD COc1ccc(-c2nnc(SCCn3cc([N+](=O)[O-])cn3)n2C2CCCCC2)cc1 470861230 WSPLRJBJSUNNKL-UHFFFAOYSA-N 428.518 4.356 5 20 IIBD O=[N+]([O-])c1cn(C[C@@H](O)COC(c2ccccc2)c2ccccc2)nc1-c1ccncc1 470881955 ZCVXTNUNXUOJPL-OAQYLSRUSA-N 430.464 4.020 5 20 IIBD CC(C)NC(=O)c1ccc(N2CC[C@@]3(CCCN(Cc4ccccc4)C3)C2)c([N+](=O)[O-])c1 474178792 VLRXEVKHCYFCEI-RUZDIDTESA-N 436.556 4.226 5 20 IIBD Cc1c(COC(C)(C)C)cccc1NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 474768825 AOJOYPUBJWWULA-UHFFFAOYSA-N 431.514 4.048 5 20 IIBD COc1c(C(=O)NCCCCN2CCC(Cc3ccccc3)CC2)cccc1[N+](=O)[O-] 475780893 MIIUKWYNUOKOCB-UHFFFAOYSA-N 425.529 4.068 5 20 IIBD CS(=O)(=O)c1cc(SCc2ccc(OCc3ccccc3F)nc2)ccc1[N+](=O)[O-] 478667211 JBSGZMZRTDQUBX-UHFFFAOYSA-N 448.497 4.404 5 20 IIBD COC(=O)C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(C(F)(F)F)cc1 479393421 RWTNRSDTTXCMFU-INIZCTEOSA-N 444.793 4.230 5 20 IIBD Cc1nc(-c2ccccc2)ncc1C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 479910865 JZLRPEQSRSGWFD-FQEVSTJZSA-N 448.479 4.173 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)c2ccc(OC)cc2)CC1 481601971 YYDVBKHYAYEJEJ-UHFFFAOYSA-N 428.510 4.451 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)c1C 481613505 VZBSXFBYSVGFEB-UHFFFAOYSA-N 439.921 4.052 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(C(=O)c2cc[nH]c2)cc1 482058766 CDVLYXQTUTVROG-UHFFFAOYSA-N 446.385 4.015 5 20 IIBD CC1(C)CN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C[C@]2(CCCOC2)O1 482845654 RSISEJIELUIXHZ-QHCPKHFHSA-N 425.485 4.139 5 20 IIBD O=[N+]([O-])c1cnc(N2CC[C@]3(CCCN(Cc4ccccc4)C3)C2)c(Br)c1 485128670 FSPOSPPINBTADA-FQEVSTJZSA-N 431.334 4.245 5 20 IIBD O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 485284420 JQVCAUHUVQFORK-SFHVURJKSA-N 436.295 4.464 5 20 IIBD Cn1c(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nc2ccc(Br)cc21 485804358 IGGXBWPWFRVAGH-UHFFFAOYSA-N 445.317 4.287 5 20 IIBD CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 486816753 DSBYAGGNFBKVOU-RBUKOAKNSA-N 438.528 4.020 5 20 IIBD O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 488085641 HZOLNZGDAKGTSS-UHFFFAOYSA-N 447.801 4.255 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)Cc3ccc([S@](C)=O)cc3)cc2[N+](=O)[O-])C1 488101515 VEDXRTZLXZJZSZ-VTGBYBNISA-N 443.569 4.087 5 20 IIBD O=C(N[C@@H]1CCOC2(CCC2)C1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 489246386 BLVYXCONBPAHGU-MRXNPFEDSA-N 441.450 4.048 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(CCCSc2ccccc2Cl)CC1 489566726 MPROMJRUKDQYSS-UHFFFAOYSA-N 425.963 4.250 5 20 IIBD NC(=O)c1ccc(SCC(=O)N[C@H]2CCc3ccc(-c4ccccc4)cc32)c([N+](=O)[O-])c1 490459776 VRUJYDYZMPZRGQ-FQEVSTJZSA-N 447.516 4.257 5 20 IIBD CCN(Cc1ccccc1Cl)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 499456744 VPWUZTRWCNQIRY-UHFFFAOYSA-N 431.905 4.190 5 20 IIBD COc1cc(C(=O)N[C@@H]2CCOc3c(Cl)cccc32)c([N+](=O)[O-])cc1OC(F)F 501605886 KMBPVTAKYMMPHD-GFCCVEGCSA-N 428.775 4.112 5 20 IIBD C[C@]1(O)CCCN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C1 501702092 PULMBSSPRDJBTG-FQEVSTJZSA-N 429.523 4.343 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)N1CCN(C2CCC2)CC1 502553030 FJZFVYANHWSCHW-OAQYLSRUSA-N 428.920 4.098 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(NC(=O)c2cc(C)oc2C)CC1 503031921 XYULZNAXAGBVME-UHFFFAOYSA-N 445.541 4.341 5 20 IIBD CCOc1cc2c(cc1OCC)CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC2 506733347 DQFWTSISRJGMOE-UHFFFAOYSA-N 436.512 4.351 5 20 IIBD Cc1ccc(C)c(Oc2ccc(CNS(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)cn2)c1 515526427 IHFAWZGXDDTUCP-UHFFFAOYSA-N 427.482 4.019 5 20 IIBD COc1cccc(C2(CNC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)CC2)c1 516357715 GPQIZMFONDSXEN-UHFFFAOYSA-N 434.442 4.430 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 517512845 GAJUJUTZRNUINE-UHFFFAOYSA-N 438.311 4.305 5 20 IIBD O=C(N[C@H]1CCOc2c(-c3ccccc3)cccc21)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 518787181 QXXRDHKRGCAFRD-NRFANRHFSA-N 441.447 4.096 5 20 IIBD CCOc1cc2c(cc1NC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])O[C@@H](C)C2 519095187 GDCXGDADNDHROQ-JTQLQIEISA-N 438.383 4.179 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1CN(CCO)Cc1cc(Br)ccc1F 520606434 FGSOJKWAZMLUMH-UHFFFAOYSA-N 441.297 4.278 5 20 IIBD O=C(Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1)c1csc([N+](=O)[O-])c1 522499609 ZQVZOHLMUJAHGY-UHFFFAOYSA-N 438.252 4.258 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCC(C)(C)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] 522534109 SNBCBBSPNVXEBB-FQEVSTJZSA-N 443.931 4.255 5 20 IIBD Cc1ccc(C[C@@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c2ccccn2)cc1 523712785 HNBYOPWFXTXEDW-HSZRJFAPSA-N 427.464 4.198 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCCOc3c2ccc(Cl)c3Cl)cc1 541740353 LNKJUOIVSQVZIX-MRXNPFEDSA-N 445.324 4.179 5 20 IIBD C[C@H]1C[C@H](c2cccnc2)N(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 542527924 YPROMNLXHYOJDH-SUMWQHHRSA-N 437.422 4.213 5 20 IIBD NC(=O)c1ccc(CSCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)c([N+](=O)[O-])c1 542933007 ZOUYUEUPXIUPKG-UHFFFAOYSA-N 438.296 4.015 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CCO)c1ccccc1Br 543834633 DNKJPJBQMPPLRA-PXAZEXFGSA-N 439.331 4.078 5 20 IIBD O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 544455644 UWUKVVZLLQSZNS-KBXCAEBGSA-N 442.365 4.325 5 20 IIBD CC(C)(C(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1)c1ccc([N+](=O)[O-])cc1F 545847451 OZLSOLZCPLRXEC-GOSISDBHSA-N 438.402 4.213 5 20 IIBD COc1cc(Br)c(Cc2noc(CCc3cccc([N+](=O)[O-])c3)n2)cc1OC 546249669 XFLDGTUCWWJOAK-UHFFFAOYSA-N 448.273 4.134 5 20 IIBD O=C1CCCN1Cc1ccc(-c2ccccc2-c2noc(-c3ccc([N+](=O)[O-])[nH]3)n2)cc1 547025735 NMBGEXGAEHKWFK-UHFFFAOYSA-N 429.436 4.429 5 20 IIBD COc1ccc(-c2ccc(C)c(NC(=O)N3CC(Oc4ccc([N+](=O)[O-])cc4)C3)c2)cn1 549063153 GKZBTLMEQNKDHH-UHFFFAOYSA-N 434.452 4.269 5 20 IIBD Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)c(F)cc1Br 565101101 UEWUQUUNVJETDO-UHFFFAOYSA-N 440.250 4.154 5 20 IIBD C[C@@H](CN[C@@H](c1ccc([N+](=O)[O-])cc1)c1nccn1C)Oc1cccc(Br)c1 569463554 RBOCJEPUNIPPPA-LIRRHRJNSA-N 445.317 4.237 5 20 IIBD CCOC(=O)c1ccnc(NCc2cc(Br)ccc2OC(F)F)c1[N+](=O)[O-] 573140103 ALAAWWQMYDUYIG-UHFFFAOYSA-N 446.204 4.143 5 20 IIBD COc1c(C(=O)NCC2(c3ccc(Br)s3)CCC2)cccc1[N+](=O)[O-] 575944048 UYAAKHZZYXUBMT-UHFFFAOYSA-N 425.304 4.279 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2c2nc(-c3cccc(-n4ccnc4)c3)no2)ccc1[N+](=O)[O-] 577798632 ZYTRMACWNJSOJJ-HXUWFJFHSA-N 444.451 4.116 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])NCc1cccc(NC(=O)c2cccc(F)c2)c1 604006605 ZFUBVBYVEPMNMS-UHFFFAOYSA-N 436.443 4.105 5 20 IIBD COc1cc(C(=O)N2CCc3cccc(Cl)c32)c([N+](=O)[O-])cc1OCc1cscn1 604387905 IPFNMEAMRJEHEA-UHFFFAOYSA-N 445.884 4.495 5 20 IIBD COc1cc([C@H](C)N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCCC(C)C 609450939 CVOSVFRCMRYGLW-LAUBAEHRSA-N 441.528 4.484 5 20 IIBD Cc1ccc(NCCCNC(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)c([N+](=O)[O-])c1 610093457 LFYNJUJREBYDLR-UHFFFAOYSA-N 439.516 4.199 5 20 IIBD COc1ccc2cccc(Cc3noc([C@@H](C)NC(=O)c4cccc([N+](=O)[O-])c4)n3)c2c1 612944394 NXLKZVSRILBNPM-CQSZACIVSA-N 432.436 4.221 5 20 IIBD COc1cc(C(F)(F)F)ncc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 616711408 WBRNNXUUWBLWQU-UHFFFAOYSA-N 439.268 4.211 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCC[C@@H](C[C@@H]2CCOC2)C1 672929762 RVHFDASKYILAAK-GJZGRUSLSA-N 426.463 4.238 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Br)Nc1ccc(Cl)c(Cl)c1 725986082 RTHFBHYWUVTRNX-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2nnc(C3CCCCC3)s2)ccc1[N+](=O)[O-] 726499774 KNKGQARHSCMSEC-KRWDZBQOSA-N 443.529 4.046 5 20 IIBD C[C@H](OC(=O)Cc1ccccc1C(F)(F)F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 729760749 IBQNQHPXHLPRQG-JTQLQIEISA-N 430.766 4.380 5 20 IIBD O=C(OCc1nnc(-c2cccc(Cl)c2)o1)c1cc([N+](=O)[O-])ccc1Br 730303585 RQMXVEFGKLGYJD-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD COCCOc1ccc(Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])cc1Cl 731980604 FANLMDCSIPBIFP-UHFFFAOYSA-N 436.820 4.013 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 732575997 SFHAEHSPVMIGQS-SFHVURJKSA-N 437.924 4.500 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2I)cc1OC(F)F 734114654 BENXNJMUAKTXTC-UHFFFAOYSA-N 448.163 4.362 5 20 IIBD COc1cc(C(=O)OCCCOc2cccc(Br)c2)c([N+](=O)[O-])cc1OC 734289296 QDOADDFOBNXOAJ-UHFFFAOYSA-N 440.246 4.000 5 20 IIBD COc1ccc(CN2CC[C@H](Nc3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1 734483202 XILMBMXLMLRLLW-HNNXBMFYSA-N 443.809 4.489 5 20 IIBD CCNC(=O)c1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)cc1 734777739 CWFKFEMUHWAJEF-UHFFFAOYSA-N 436.420 4.365 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1nnn(-c2ccc(OC(F)F)cc2)c1C 736160062 KUKNBQUZEJUZBH-UHFFFAOYSA-N 437.790 4.299 5 20 IIBD CCOC(=O)c1oc2ccccc2c1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 742618881 LOZYPWVMNKEFJU-UHFFFAOYSA-N 436.342 4.467 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2cnn(-c3ccccc3)c2C2CC2)cccc1[N+](=O)[O-] 744672798 BPSRYYUTDWAYJH-OAHLLOKOSA-N 434.452 4.150 5 20 IIBD COc1ccc(OCCOC(=O)c2c(NC(=O)C(C)C)sc(C)c2C)c([N+](=O)[O-])c1 744938001 VBUYELWEGMUUFE-UHFFFAOYSA-N 436.486 4.112 5 20 IIBD CN1CCCN(c2ccc(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)cc2)CC1 747640421 WKRDPLWPIGCCLJ-UHFFFAOYSA-N 437.525 4.113 5 20 IIBD CN(Cc1ccccc1)Cc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 750832148 GWUFCKCTDAYKDK-UHFFFAOYSA-N 444.535 4.189 5 20 IIBD CC(C)n1ncc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(Br)c3)cc21 751280886 YPESPHFVFFXYIB-UHFFFAOYSA-N 439.291 4.089 5 20 IIBD CN(C)C(=O)Sc1cccc(COC(=O)c2cc([N+](=O)[O-])ccc2Br)c1 752545109 NHRODPYAANKZOG-UHFFFAOYSA-N 439.287 4.488 5 20 IIBD O=C(NCCCc1nc2c(s1)CCCC2)c1cc(F)cc([N+](=O)[O-])c1Br 754996652 NWCJKRZPWRFPTK-UHFFFAOYSA-N 442.310 4.194 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCCC[C@@H]1c1noc(C2CC2)n1 755007692 VYSQZTIPTASFDK-GFCCVEGCSA-N 439.241 4.124 5 20 IIBD C[C@H]1C[C@H](OC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C[C@@H](C)O1 756032718 PVFZVJLUKHVEKW-YWVIFJGQSA-N 430.423 4.329 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])N(Cc1ccccc1)C[C@H](O)c1ccsc1 757090704 PEXUWGWKBNBZCZ-NRFANRHFSA-N 425.510 4.221 5 20 IIBD COC(=O)c1sc(-c2ccccc2)cc1OS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 759023192 OAWWYSGZBDSNBJ-UHFFFAOYSA-N 433.463 4.019 5 20 IIBD CC(C)(C)OC(=O)N[C@H](Cc1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1)c1ccccc1 761249188 JDJFDEMZZQBTFA-MRXNPFEDSA-N 425.445 4.036 5 20 IIBD O=c1c2ccccc2cnn1Cc1nc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)no1 761856760 DTKGKRYCEIUBCQ-UHFFFAOYSA-N 441.403 4.195 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)O[C@@H](C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 762754616 JTMMIUQXVWTXQG-ZDUSSCGKSA-N 445.493 4.435 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 765588551 RGUNQDRMLXJTPS-UHOSZYNNSA-N 433.549 4.315 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)C1CCN(C(=O)/C=C\c2ccccc2)CC1 765860114 NUTKAGMBTVHJGB-FLIBITNWSA-N 430.464 4.034 5 20 IIBD CCOc1cc(C(=O)O[C@H](Cc2cccc(Cl)c2F)C(C)=O)c([N+](=O)[O-])cc1OC 768414001 BIRFJZSAQKVEII-MRXNPFEDSA-N 439.823 4.152 5 20 IIBD O=Cc1ccc(OCC(=O)N[C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 769161332 HHAVGFSUIGGIMT-RDJZCZTQSA-N 436.386 4.257 5 20 IIBD Cc1cc(S(=O)(=O)Oc2cccc(NC(=O)c3cccs3)c2)cc([N+](=O)[O-])c1F 771757432 UWZUAHJJAGVTPW-UHFFFAOYSA-N 436.442 4.124 5 20 IIBD Cc1sc(S(=O)(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c32)cc1[N+](=O)[O-] 773021472 QETWXFDCPQRBQJ-UHFFFAOYSA-N 439.515 4.063 5 20 IIBD CSc1ccc(NC(=O)[C@@H](C)OC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 773606466 UIAUPAZKLUZCDC-MRVPVSSYSA-N 445.316 4.325 5 20 IIBD Cc1ccc(-n2c(SCc3nc4ccc([N+](=O)[O-])cc4[nH]3)nc3ccccc3c2=O)nc1 776432398 AQUKGONXZKRRKU-UHFFFAOYSA-N 444.476 4.166 5 20 IIBD O=S1(=O)CC[C@]2(C[C@H](NCc3c4ccccc4c(Cl)c4ccccc34)CCO2)C1 776499937 ZFKVNTLKKLOQBN-MWTRTKDXSA-N 429.969 4.472 5 20 IIBD CSc1cccc(C(=O)OCC(=O)N(C)[C@H](C)c2cc3ccccc3o2)c1[N+](=O)[O-] 777079171 LKFKXZCSJBRMEM-CYBMUJFWSA-N 428.466 4.439 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)N(c2ccccc2F)C2CCCC2)cc1[N+](=O)[O-] 777981186 BLYKHBZCNXGKKE-UHFFFAOYSA-N 437.449 4.050 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCCC1 779198029 QFCHPKMLAGAXTE-GOSISDBHSA-N 445.520 4.208 5 20 IIBD C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1ccc(I)c([N+](=O)[O-])c1 780277323 LNOUFLZEBWYSSV-PSASIEDQSA-N 442.175 4.002 5 20 IIBD O=[N+]([O-])c1ccc(I)c(OCc2ccc(Oc3ccccc3)nn2)c1 780353979 NTZIITBBXKIDFC-UHFFFAOYSA-N 449.204 4.361 5 20 IIBD CC(C)(C)OC(=O)N1Cc2ccc(CNC(=O)CCc3cccc([N+](=O)[O-])c3)cc2C1 781082164 NOJWXSZRAPANIQ-UHFFFAOYSA-N 425.485 4.095 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCc1ccc(Oc2cccc(F)c2)nc1 781636814 SJYDCTLPWWFEJF-UHFFFAOYSA-N 440.387 4.078 5 20 IIBD O=C(CCc1cncc2ccccc12)Oc1cc([N+](=O)[O-])ccc1I 781745139 RBSGXEBHFXYMLC-UHFFFAOYSA-N 448.216 4.286 5 20 IIBD C[C@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1cccc(OCc2ccccn2)c1 782532181 QGFYMQQFNCSJGI-INIZCTEOSA-N 438.459 4.387 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N2CCC[C@@H]2c2ccsc2)cc1[N+](=O)[O-] 784663674 GDQOYWDPXFTWNF-CQSZACIVSA-N 438.303 4.029 5 20 IIBD O=C(O[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1)c1ccc2nc(C(F)F)[nH]c2c1 787030143 ITLVFYHGUALFAM-CYBMUJFWSA-N 434.374 4.374 5 20 IIBD CC(C)(C(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 787792498 SXPQDQQCLWZVJN-UHFFFAOYSA-N 439.512 4.037 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)Oc2ccc3c(c2)C(=O)NC3)cc1[N+](=O)[O-] 789547957 DTKBQYJTIXCIGA-UHFFFAOYSA-N 448.456 4.010 5 20 IIBD Cc1cc(NC(=O)c2cc(C(F)(F)F)cnc2Cl)n(-c2ccc([N+](=O)[O-])cc2)n1 790703326 WNACTJFHSLRWIS-UHFFFAOYSA-N 425.754 4.408 5 20 IIBD O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(C(=O)c2cc3ccccc3s2)CC1 791035503 MDOSGQZSCTXHDG-UHFFFAOYSA-N 429.885 4.061 5 20 IIBD O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791234585 MZJWRQSYWLIAOE-UHFFFAOYSA-N 440.637 4.117 5 20 IIBD Cc1ccc(Br)cc1-c1noc(CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 795775839 YPXLPBIITZXEPC-UHFFFAOYSA-N 433.218 4.409 5 20 IIBD C[C@@H](OC(=O)CCc1cnc2ccccc2c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 795801502 NJHKVAAFDUANRV-CYBMUJFWSA-N 427.844 4.299 5 20 IIBD CCCc1nc(C)c(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)o1 796563372 GHYJPDBYVCLBMH-JTQLQIEISA-N 429.351 4.047 5 20 IIBD Cc1ccc(OCc2nc(COC(=O)COc3ccc([N+](=O)[O-])c(C)c3)cs2)cc1 797493437 JYHDVLUEMMONIS-UHFFFAOYSA-N 428.466 4.369 5 20 IIBD O=C(OCC1CCN(C(=O)OCc2ccccc2)CC1)c1c(F)ccc([N+](=O)[O-])c1F 798632926 SBROROVUBCHHMY-UHFFFAOYSA-N 434.395 4.079 5 20 IIBD Cc1ccc(OCc2ccc(Br)c([N+](=O)[O-])c2)c(I)n1 800836331 IXVCTEOZEBHCGZ-UHFFFAOYSA-N 449.042 4.244 5 20 IIBD Cc1cc(NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)ccc1Br 809920620 XKTPAIJXFXLMPD-UHFFFAOYSA-N 441.669 4.079 5 20 IIBD C[C@@H](OC(=O)c1cc(N(C)C)c2ccccc2n1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 811323707 COSKMUYKMADQGR-CYBMUJFWSA-N 433.424 4.177 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 811551908 PKMSVSRRVWANFF-SHTZXODSSA-N 441.475 4.134 5 20 IIBD CN1C(=O)C[C@H](c2nc(CCC(C)(C)[N+](=O)[O-])no2)[C@H]1c1ccc(Cl)c(Cl)c1 812815665 UVIYEANNJWXTRN-MEDUHNTESA-N 427.288 4.051 5 20 IIBD C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)c1 813244618 JSXWVXCGMUIUJK-CYBMUJFWSA-N 437.905 4.064 5 20 IIBD Cc1ccc(NC(=O)N(C)C)c(C(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)c1 815210257 JUINGSQTLQMRDZ-UHFFFAOYSA-N 425.363 4.373 5 20 IIBD O=C(O[C@@H](c1nc2ccccc2o1)C(F)(F)F)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 816062470 PSBVOENQISFNSA-INIZCTEOSA-N 432.314 4.382 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)CCOc1ccc(Cl)c(Cl)c1 914959710 AGGZNSCHJGQJMA-UHFFFAOYSA-N 427.240 4.161 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2cccc(CN3CCOC3=O)c2)CC1 916077162 PDPHJHQWHHUZND-UHFFFAOYSA-N 438.484 4.036 5 20 IIBD CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 917261209 YLCKFNPUGRYVFC-GFCCVEGCSA-N 440.374 4.282 5 20 IIBD O=C(Nc1ccccc1)Nc1cccc(NS(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])c1 917731528 FYYAETGAABZZBG-UHFFFAOYSA-N 430.417 4.179 5 20 IIBD COc1ccc(CSCC(=O)OCc2ccc(F)c(Br)c2)cc1[N+](=O)[O-] 917973278 PBRBWGWPRMWXBZ-UHFFFAOYSA-N 444.278 4.482 5 20 IIBD COc1ccccc1CN(Cc1cccs1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 918190855 QLDLPNLHWQOBCY-UHFFFAOYSA-N 436.486 4.195 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)cc1[N+](=O)[O-] 918393054 WSBPHSBPQCJYEQ-NRFANRHFSA-N 426.473 4.014 5 20 IIBD C[C@@H](Cc1ccc(F)cc1)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 921001117 NUADRPLRDKCSCO-AWEZNQCLSA-N 439.409 4.280 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 921008231 BDWJJMKDHFQLPZ-CYBMUJFWSA-N 440.456 4.244 5 20 IIBD Cc1c(Br)cccc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1N 1116934997 KWBVARMBPZTYRA-UHFFFAOYSA-N 429.068 4.263 5 20 IIBD COc1ccc(CNC(=O)c2cnc3c(c2)c(C2CC2)nn3-c2ccccc2)cc1[N+](=O)[O-] 1251133384 AJVXLYHVJKCGLL-UHFFFAOYSA-N 443.463 4.145 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cn2)cc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1322262433 UIVHAJURODWVHL-UHFFFAOYSA-N 427.848 4.109 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2nnc(-c3ccncc3)s2)cc1[N+](=O)[O-])c1ccccn1 1322655842 PGUGRWJSBFMFPE-CYBMUJFWSA-N 447.480 4.329 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(CSc3nc4ccccc4nc3N3CCCC3)o2)c1 1341328196 HEHLAPPZKMLXND-UHFFFAOYSA-N 434.481 4.481 5 20 IIBD O=[N+]([O-])c1ccc(CNc2cc(Cl)ccc2N2CCOCC2)c(Br)c1 1342914533 GZRRQGHKKLCDMJ-UHFFFAOYSA-N 426.698 4.459 5 20 IIBD CNc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])[nH]4)cc3)CCC2)cc1 1790184977 CEQATFDZZVFHDN-UHFFFAOYSA-N 433.468 4.026 5 20 IIBD O=C(Cc1cccnc1)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)CCC1 1790623829 POHYANRTHRYXMA-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(C2(NC(=O)c3ccc[nH]3)CCC2)cc1 1792317665 CANCOQREDVXKJQ-MDWZMJQESA-N 430.464 4.384 5 20 IIBD CC(C)=CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)[nH]n1 1820800882 WVPZQNWKARJISR-CKDFRHGISA-N 441.488 4.363 5 20 IIBD C/C=C(\C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CSc2ccccc2[N+](=O)[O-])[nH]n1 1821894997 AJKUMGQMRSUCOA-TWQVXDNOSA-N 443.529 4.069 5 20 IIBD Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)c(F)c1 1823614823 CHTAZQWLSOORKF-IBGZPJMESA-N 443.475 4.182 5 20 IIBD CCn1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nc2sc(C)c(C)c2c1=O 3374006 ODXPMQSOEJDLJT-UHFFFAOYSA-N 433.511 4.162 5 20 IIBD C[C@@H](OC(=O)Cc1ccc(Br)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 3449700 YGPARZSURZQAMQ-SNVBAGLBSA-N 441.665 4.124 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1C 10723011 LQPHYMUMLXRTQJ-LJQANCHMSA-N 442.515 4.192 5 20 IIBD COc1ccc2cc(C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c(C)nc2c1 10725752 PFQLRWMPDWVTCD-GFCCVEGCSA-N 443.843 4.297 5 20 IIBD C[C@H](OC(=O)CCCc1ccc(Br)s1)C(=O)Nc1ccccc1[N+](=O)[O-] 16257286 DNLQYCYDFUYZTN-NSHDSACASA-N 441.303 4.312 5 20 IIBD C[C@@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)N1CCc2sccc2C1 26580814 NMHWMRIPJRVVGX-CQSZACIVSA-N 435.574 4.214 5 20 IIBD COc1ccc(-c2nc(C(=O)O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)cs2)cc1 27415969 KRZUBUDERSYOBH-ZDUSSCGKSA-N 441.465 4.219 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3nc(C)c(C)s3)cc2)cc1[N+](=O)[O-] 29579767 XLOUVDDIDGVUSG-UHFFFAOYSA-N 446.510 4.030 5 20 IIBD NC(=O)CCn1c(SCc2nc3ccccc3c3ccccc23)nnc1-c1ccco1 29665174 AKUAUYVOHAIOKJ-UHFFFAOYSA-N 429.505 4.407 5 20 IIBD COc1ccc(OCC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)c([N+](=O)[O-])c1 32864094 DGFWEKDUHJBKDS-MRXNPFEDSA-N 427.438 4.015 5 20 IIBD O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 43842115 CDGNSCQJYVTZFX-UHFFFAOYSA-N 442.686 4.153 5 20 IIBD O=C(NCc1ccccc1CN1CCOCC1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 46912722 JPHUDNUQPADZAX-UHFFFAOYSA-N 447.491 4.149 5 20 IIBD CC1CCN(Cc2ccc(CNc3ccc(C(=O)c4nccn4C)cc3[N+](=O)[O-])cc2)CC1 64113224 JOVZBBOJJRGWIZ-UHFFFAOYSA-N 447.539 4.403 5 20 IIBD O=C(C[C@H]1C=CCC1)Nc1ccccc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 78618416 LYPCXDHZKZDHKM-INIZCTEOSA-N 431.452 4.328 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CCC(CCc3ccccc3)CC2)ccc1[N+](=O)[O-] 110372307 PVSLKHBYZPWALZ-XMMPIXPASA-N 449.551 4.379 5 20 IIBD O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 116303613 XNBORMCHUFUIMG-MRXNPFEDSA-N 443.872 4.080 5 20 IIBD CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 116681382 KZQSPTRVZNKKJP-CQSZACIVSA-N 434.899 4.020 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@H](c1ccc(F)cc1)C1CCCC1 117154501 YNZZINWCXYXBCU-QFIPXVFZSA-N 441.459 4.470 5 20 IIBD O=C1[C@@H](Nc2cccc(COCC(F)(F)C(F)F)c2)CCN1c1cccc([N+](=O)[O-])c1 261401454 LYQWSFWJSCBLOQ-KRWDZBQOSA-N 441.381 4.229 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(CNc3cc(Br)ccc3[N+](=O)[O-])cc2)C[C@@H](C)O1 301670863 NUFOUNZUNDROIG-ZIAGYGMSSA-N 448.317 4.219 5 20 IIBD Cc1cc(N2CCC(Nc3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)CC2)nc(C)n1 302183348 RRZLVDGLCSWYJV-UHFFFAOYSA-N 434.500 4.057 5 20 IIBD O=c1c(Cl)c(N2CCO[C@H](c3cccc(Cl)c3)C2)cnn1-c1ccc([N+](=O)[O-])cc1 302228169 XGLCYDRYBLTLFY-SFHVURJKSA-N 447.278 4.025 5 20 IIBD Cc1cc(Oc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)c(F)cc1[N+](=O)[O-] 302374627 CTFYFOWPHRZAQV-UHFFFAOYSA-N 444.728 4.448 5 20 IIBD CCC[C@@H]1CCc2nc(NC(=O)c3nnn(-c4cccc([N+](=O)[O-])c4)c3C)sc2C1 303009929 JUDZUUUFPHZNCQ-CYBMUJFWSA-N 426.502 4.098 5 20 IIBD COc1ccccc1[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1ccco1 426954472 DINBLOVVHXWJNM-HSZRJFAPSA-N 433.420 4.029 5 20 IIBD COC(=O)C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)c(F)c1 433538294 IELZBERBPDUBCF-MRXNPFEDSA-N 429.231 4.004 5 20 IIBD CCOc1cc(CS(=O)(=O)Cc2cccc(Br)c2C)ccc1[N+](=O)[O-] 434639900 GZLWPCVCLKETAX-UHFFFAOYSA-N 428.304 4.179 5 20 IIBD CCOc1ccc([C@@H]2C[C@H]2Nc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)cc1 435575088 QGLWMRNKAIBFDA-ZWKOTPCHSA-N 426.860 4.161 5 20 IIBD C[C@H]1CC[C@@H](C)N1[C@H]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 436247468 UMFWVNGVGZBWAZ-DAYGRLMNSA-N 439.506 4.437 5 20 IIBD O=C1CCCc2cc(NC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)ccc2N1 436315468 GOKPKZOUBROFQH-UHFFFAOYSA-N 433.414 4.487 5 20 IIBD CCCCOc1ccc(NC(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c(C)c1 437056804 SDWNJXAHVAXVFE-UHFFFAOYSA-N 425.485 4.212 5 20 IIBD O=C(NCc1ccc(NC(=O)c2ccco2)cc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437144544 JEYKBKVXWJVXPZ-UHFFFAOYSA-N 433.342 4.389 5 20 IIBD CC(=O)Nc1ccc(C)c2c1CCCN2C(=O)c1ccc(Br)cc1[N+](=O)[O-] 438965536 YEIXJPZKZYYJCP-UHFFFAOYSA-N 432.274 4.217 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 439898309 IUVAMFCPEXXVCJ-SFHVURJKSA-N 437.399 4.200 5 20 IIBD COc1cc(Br)c(CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1OC 443945201 GKNIHHWMMGQQFV-UHFFFAOYSA-N 438.278 4.313 5 20 IIBD O=C(NC[C@H](CO)Cc1c(F)cccc1Cl)c1ccc2[nH]c3ccccc3c(=O)c2c1 444233697 UJSNJRPUVCLQIG-CQSZACIVSA-N 438.886 4.055 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCc2c(F)cc(F)cc2C1 444252940 OIMPTVVSMJSDHO-UHFFFAOYSA-N 426.369 4.436 5 20 IIBD O=C(NCCc1c[nH]c2cc(Cl)cc(Cl)c12)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 446899707 TXDOLTRVSGFCIB-UHFFFAOYSA-N 447.282 4.301 5 20 IIBD COc1cccc(C2(NCCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCOCC2)c1F 447365404 HJXOKNDOVPVEGB-UHFFFAOYSA-N 441.459 4.236 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NC[C@]1(CO)C[C@@H]1c1ccc(F)cc1 447682422 YMWFXUWSNDHYSC-WBMJQRKESA-N 435.324 4.361 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCc1cccc(COCC(F)(F)F)c1 447801776 FFPANKYLXYOQTM-UHFFFAOYSA-N 439.434 4.118 5 20 IIBD CCOCCCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H](C(F)(F)F)[C@@H]1C 460682881 DYDOTXOUHKBOHD-WMLDXEAASA-N 441.454 4.447 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NCc2cccc([N+](=O)[O-])c2C)c1 462202124 LNHKHOHCZZGJKP-UHFFFAOYSA-N 435.546 4.333 5 20 IIBD CN(Cc1ccc(OC(F)F)cc1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 462480325 LCQQRFCJJPANGR-UHFFFAOYSA-N 441.239 4.324 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 462761171 NAPVZFXACHWNLX-RBUKOAKNSA-N 441.528 4.284 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)N1CC[C@@H](n2cccn2)C1 463445916 ROAWQRUCJUHLTP-YLJYHZDGSA-N 425.876 4.072 5 20 IIBD Cc1ccc(CCN(Cc2ccco2)C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 465153285 DVAAGOBYSQIYFG-UHFFFAOYSA-N 436.464 4.081 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N[C@@H]1CCOc2c(-c3ccccc3)cccc21 465176230 SPHYXJWMMMFPQK-HXUWFJFHSA-N 446.459 4.216 5 20 IIBD CCc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cnn1-c1ccccc1OC 469933429 QYXIYMBCQJCVTM-UHFFFAOYSA-N 432.383 4.205 5 20 IIBD CC[C@H](C(=O)N1CCC(NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1)c1ccccc1 470112726 FAPRPYOXEYBIHF-FQEVSTJZSA-N 428.464 4.040 5 20 IIBD O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 470430804 VIUSBIKKINCTQM-UHFFFAOYSA-N 431.408 4.093 5 20 IIBD Cc1cc(Cl)c(C(=O)N2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)cc1C 478074523 FFMFEPCIPHKQKY-UHFFFAOYSA-N 427.892 4.094 5 20 IIBD CN1C(=O)C[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)[C@H]1c1ccc(Cl)c(Cl)c1 479153495 BYINLEGPZMKHRR-OXQOHEQNSA-N 448.306 4.006 5 20 IIBD O=C(O)c1ccc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c(F)c1 479337094 XHKCIPJMRYMKBP-UHFFFAOYSA-N 439.186 4.177 5 20 IIBD Cc1cccc(CN(Cc2ccccn2)S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1 481070005 KWFKZLQBAMBLRL-UHFFFAOYSA-N 425.510 4.306 5 20 IIBD Cc1cc(Br)c(O)c(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 482598507 BFNHMWNZKMDLGL-UHFFFAOYSA-N 431.246 4.024 5 20 IIBD C[C@@H](NC(=O)c1cc(C(=O)OC(C)(C)C)n(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 482994781 ZKJVKTGLMGCGOL-OAHLLOKOSA-N 436.468 4.227 5 20 IIBD O=[N+]([O-])c1ccc2nc(CSc3nnc(-c4cccs4)n3C[C@H]3CCCO3)[nH]c2c1 484496471 HWWLWRKTVVJLPO-CYBMUJFWSA-N 442.526 4.262 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2nc3c(Cl)cccc3s2)cc1OC 486198265 VFMZFMWBIWPTPR-UHFFFAOYSA-N 437.861 4.144 5 20 IIBD CC(=O)Nc1nc2ccc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)cc2s1 486234788 IBQUZLHKXBZQBL-UHFFFAOYSA-N 439.497 4.018 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCSCC2)cc1C 486677544 UHSJJHGFMHOBCZ-UHFFFAOYSA-N 447.582 4.447 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1cccc(Cl)c1OCC(F)F 487487954 UECIQZMVPJAMRL-JTQLQIEISA-N 429.807 4.340 5 20 IIBD COc1cc(CN[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])cc1OC(F)F 493926275 OBTVJBFDVXFLIM-KBXCAEBGSA-N 430.354 4.103 5 20 IIBD CCC(C)(C)C1CCC(NC(=O)[C@@H](CCSC)NC(=O)c2ccc([N+](=O)[O-])o2)CC1 495308373 ORJXLTHESPAQHD-UYSNPLJNSA-N 439.578 4.151 5 20 IIBD CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2c([N+](=O)[O-])cnc3ccc(Br)cc23)C1 496203095 JUMAQHCJPVTWAJ-UONOGXRCSA-N 449.349 4.427 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(Cc1ccncc1)Cc1cccnc1 498549032 QCCRCWKGEJDTQQ-HNNXBMFYSA-N 426.860 4.035 5 20 IIBD O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)cc2Br)c2cccnc12 500488228 XRTFYNILKQFKIE-UHFFFAOYSA-N 442.678 4.360 5 20 IIBD CC[C@H](C)N[C@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccco1 503533392 SAVWDKXCGDMIHR-BLLLJJGKSA-N 428.411 4.135 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N(Cc1cccs1)C1Cc2ccccc2C1 503562864 OFFHQEOZSLUOQD-UHFFFAOYSA-N 447.520 4.412 5 20 IIBD C[C@@H](NC(=O)[C@](N)(c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccccc1[N+](=O)[O-] 503964931 QVKMSESNYVXCSB-QLJPJBMISA-N 435.324 4.207 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCCc2c[nH]c3ncccc23)cc1[N+](=O)[O-])c1ccccn1 505888426 QIZYHGFLOFAGFX-OAHLLOKOSA-N 430.468 4.012 5 20 IIBD Cn1cnnc1-c1ccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 508288166 MBPKFDGPGUUARD-UHFFFAOYSA-N 437.403 4.140 5 20 IIBD C[C@@H]1CN(c2ccc(CNCc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)cn2)CCO1 509598802 GVZWCOWDUHRLFG-LJQANCHMSA-N 447.539 4.273 5 20 IIBD COc1ccc(NC(C)=O)c(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1 509841572 ZRQGNGBDTIPTJV-HUUCEWRRSA-N 440.500 4.296 5 20 IIBD Cc1ccc(NCc2cc([N+](=O)[O-])ccc2OC(F)F)cc1S(=O)(=O)NC(C)(C)C 512651922 FDFYBQNUPOUFFZ-UHFFFAOYSA-N 443.472 4.194 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1 513519769 LLWDMXXZZNVLOO-INIZCTEOSA-N 435.868 4.284 5 20 IIBD Cc1cccc(C)c1NC(=O)CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 515185663 NPVWCOCADOYGPY-UHFFFAOYSA-N 432.480 4.192 5 20 IIBD COc1cc(CCNC(=O)c2cc3c(Cl)c(Cl)ccc3[nH]2)c([N+](=O)[O-])cc1OC 515750730 NFLCSDOPZXEVMZ-UHFFFAOYSA-N 438.267 4.373 5 20 IIBD O=C(NC[C@]1(CO)C[C@H]1c1ccccc1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 516123643 HGMKBELFEYZRQC-DHLKQENFSA-N 431.492 4.103 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(I)cc2Cl)c1 516320270 ZURMVLFQIOYYMT-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)c2)C1 519496562 QVDCLVBJLQBOPM-HRAATJIYSA-N 425.485 4.059 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)N1CCCCC[C@@H]1c1ccccc1 520948669 WJDUMPPBFVMZED-QGZVFWFLSA-N 433.411 4.279 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 520977863 PCLFOMCIOYOAFZ-MRXNPFEDSA-N 434.496 4.369 5 20 IIBD O=C(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)N1N=C(c2ccco2)C[C@@H]1c1cccs1 521438636 ZQHZKSWAXLDGDC-LJQANCHMSA-N 447.476 4.491 5 20 IIBD C[C@@H](NC(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1)c1cccc([N+](=O)[O-])c1 523523637 PTLYAZIENAHWER-CABCVRRESA-N 447.333 4.244 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCC[C@H]2CN2CCCCC2)cc1[N+](=O)[O-])c1ccccn1 524338752 KQMYFYDZPKYOSB-ICSRJNTNSA-N 437.544 4.253 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](c1ccncc1)c1ccc(Cl)cc1 530903109 OTTRHNIMWKORLA-HXUWFJFHSA-N 431.901 4.362 5 20 IIBD CCN([C@@H](c1ccc(C(C)C)cc1)c1cccnc1)S(=O)(=O)c1cccnc1[N+](=O)[O-] 530951678 QDSDYRNRGBFQTC-NRFANRHFSA-N 440.525 4.308 5 20 IIBD CCc1nc2ccccc2n1C1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 536743872 WKXHTWUHEXGBPF-UHFFFAOYSA-N 441.919 4.436 5 20 IIBD COc1ccc(CNC(=O)Nc2cccc(CCN3CCC(C)CC3)c2)cc1[N+](=O)[O-] 537670045 JODBNAJMCPOZMT-UHFFFAOYSA-N 426.517 4.200 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NC[C@@H]3CCO[C@@H](C)C3)c([N+](=O)[O-])c2)c(C)c1 537823828 STUAUXSJODXAII-DLBZAZTESA-N 433.530 4.239 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 538235975 AYNLOTABLZLZFM-AEFFLSMTSA-N 439.693 4.200 5 20 IIBD O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 538244752 VWFHLYPZXUNFAP-WBVHZDCISA-N 444.793 4.449 5 20 IIBD O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(OCC(F)F)cc2)cc1C(F)(F)F 542218712 YYSGWCPWALKZSU-UHFFFAOYSA-N 426.319 4.058 5 20 IIBD Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)C2)cc1 542603666 LIMRPLAWPSGCRN-IRXDYDNUSA-N 442.491 4.206 5 20 IIBD O=C(N=c1cc[nH]cc1[N+](=O)[O-])N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 542837493 NZKMXCLNZWQKRQ-UHFFFAOYSA-N 425.272 4.041 5 20 IIBD C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2nnc3n2CCCCC3)c1 544002778 YYDKGFARAHYBEC-INIZCTEOSA-N 434.500 4.409 5 20 IIBD O=C(c1cccc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1)N1CCOCC1 545972793 CBRWZHLNRKOCFT-UHFFFAOYSA-N 437.521 4.086 5 20 IIBD CC(C)(c1ccc([N+](=O)[O-])cc1)c1nc(Cc2ccn(-c3c(F)cccc3F)n2)no1 546532787 CJRKJWAEQLRWGV-UHFFFAOYSA-N 425.395 4.358 5 20 IIBD CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F 546558647 LAXGWFPNTPGREJ-LJQANCHMSA-N 427.520 4.382 5 20 IIBD COc1ccc(CSCc2nc(-c3ccc(N4CCCC4=O)cc3)no2)cc1[N+](=O)[O-] 546940527 QEXWVNCDZZPMCE-UHFFFAOYSA-N 440.481 4.214 5 20 IIBD Cc1cncc(N(Cc2ncc[nH]2)C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 550084491 TVSIAQANDUUHGH-UHFFFAOYSA-N 434.500 4.105 5 20 IIBD C[C@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])c1nc(-c2ccc(Br)cc2)cs1 558597107 WWKXECSDOUORSM-VIFPVBQESA-N 448.302 4.148 5 20 IIBD CCS[C@H](C)c1noc(CN(C)C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)n1 559577133 AXODGWNGCMMKGN-SNVBAGLBSA-N 443.323 4.135 5 20 IIBD CCOc1cc(C(=O)N2CCCN(c3cccc(Cl)c3C)CC2)c([N+](=O)[O-])cc1OC 560134789 PWNDGXPDHLKPMR-UHFFFAOYSA-N 447.919 4.316 5 20 IIBD C[C@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(NC(=O)c2ccccc2)c1 562095524 FMOPPUVXMQHHGD-INIZCTEOSA-N 439.493 4.028 5 20 IIBD O=C(NCc1nc2cc(Br)ccc2o1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 563693087 KKQUGGFGVDFMQF-UHFFFAOYSA-N 445.273 4.029 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1nccn1-c1ccccc1 566935458 SJGJQRYWXGQDCJ-OAHLLOKOSA-N 426.498 4.010 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 579576589 DYGSOTJBBHEUMT-UHFFFAOYSA-N 436.440 4.115 5 20 IIBD O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 580496712 DOMOCDSOWXDLRD-NRFANRHFSA-N 432.402 4.177 5 20 IIBD COc1ccc(S(=O)(=O)N(Cc2cccs2)Cc2ccccc2OC)c([N+](=O)[O-])c1 591582948 XSDDJXRFSIXXLV-UHFFFAOYSA-N 448.522 4.065 5 20 IIBD CCn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nc2sc3c(c2c1=O)CCCC3 592136212 DGGUSHHYBIEIJL-UHFFFAOYSA-N 429.523 4.240 5 20 IIBD COc1cccc(NC(=O)COc2ccc(C(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)cc2)c1 603501468 QIKIRLQRNKIQSF-UHFFFAOYSA-N 449.463 4.490 5 20 IIBD O=C(NCc1ccc(OCCOc2ccccc2)nc1)c1ccc([N+](=O)[O-])cc1Cl 603969697 UCMPGNXRDYOLDH-UHFFFAOYSA-N 427.844 4.031 5 20 IIBD CN(C)C[C@@H]1CCCCN1C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 609175527 XQIBKPZMENSIFP-SFHVURJKSA-N 430.936 4.417 5 20 IIBD NC(=O)c1ccc(CSCc2csc(COc3ccc(F)cc3)n2)c([N+](=O)[O-])c1 609237057 VRWMGDSEUXULLF-UHFFFAOYSA-N 433.486 4.302 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccccc1I 609722639 OZXSCRQUMGDSIT-UHFFFAOYSA-N 446.628 4.260 5 20 IIBD Cc1ccc(NC(=O)CSCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cc1Cl 609770754 NZRZMSFEZMPCED-UHFFFAOYSA-N 435.889 4.227 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)Nc1ccc(CCN2CCSCC2)cc1 610094793 IFYHVWSRRURMAZ-UHFFFAOYSA-N 442.585 4.331 5 20 IIBD CC[C@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)C(C)(C)c1ccccc1 610177529 SJMZYNCIYCHJKD-FQEVSTJZSA-N 425.485 4.156 5 20 IIBD CCCC(=O)NC1CCN(Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])CC1 611261143 AKBZWAZWUWQUSO-UHFFFAOYSA-N 441.528 4.063 5 20 IIBD CCC1(O)CCC(NC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 611334795 YXPKMVWLNWLAAP-UHFFFAOYSA-N 442.537 4.361 5 20 IIBD NC(=O)c1ccc(CN[C@@H](CC(F)(F)F)c2ccc(Br)cc2)c([N+](=O)[O-])c1 612538952 FUEFNMWDFZALKM-AWEZNQCLSA-N 446.223 4.240 5 20 IIBD COc1cc(C(=O)OCC(=O)c2cc(C)n(Cc3ccc(F)cc3)c2C)ccc1[N+](=O)[O-] 725946040 OVQWKUZVBAOSQL-UHFFFAOYSA-N 440.427 4.249 5 20 IIBD CN(Cc1ccccc1Cl)C(=O)c1ccc(I)c([N+](=O)[O-])c1 727747519 YGIFUGWAEUTHCG-UHFFFAOYSA-N 430.629 4.125 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCCc1ccccc1C(F)(F)F 729911436 UQXQNQIPCQVYDI-UHFFFAOYSA-N 438.358 4.088 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)cc1[N+](=O)[O-] 730180616 BRRBZJSBRUVYKG-UHFFFAOYSA-N 446.847 4.343 5 20 IIBD O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1cccc(S(=O)(=O)Cc2ccccc2)c1 730750317 DXICFAPGEKZEOU-UHFFFAOYSA-N 429.425 4.065 5 20 IIBD Cc1ccc(C(=O)N[C@@H](CC(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 731723394 ZQRZFYZICJXBFV-QFIPXVFZSA-N 446.459 4.191 5 20 IIBD O=C(O[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1ccc([N+](=O)[O-])cc1Cl 733814706 BUIOWJLHXRVXGA-HNNXBMFYSA-N 444.749 4.109 5 20 IIBD O=C(/C=C\c1ccc(I)o1)OCc1cc([N+](=O)[O-])ccc1Cl 734780482 UYMAYQAWNVTNFO-UTCJRWHESA-N 433.585 4.202 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])OCc1nc(-c2ccc(Cl)cc2)no1 735148017 JVJJDMAABFLGNG-UHFFFAOYSA-N 438.223 4.464 5 20 IIBD C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1cccc(Cl)c1Cl 735459330 PKFQCCCAQPDIOI-WDEREUQCSA-N 440.258 4.271 5 20 IIBD C[C@H](OC(=O)c1csc(Nc2ccccn2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 736897757 HLCHYOCPWVPDFV-JTQLQIEISA-N 447.860 4.027 5 20 IIBD O=C(OCc1nc2ccccc2n1C(F)F)c1ccc([N+](=O)[O-])cc1Br 739496149 FICIHHSKHTYDPO-UHFFFAOYSA-N 426.173 4.459 5 20 IIBD CCc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)o1 739611216 BVFJOLXSQDCXEN-BEFAXECRSA-N 443.475 4.386 5 20 IIBD O=C(NC[C@H](O)c1ccccc1Cl)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 740932112 BXWHXXFOIYNBJA-NRFANRHFSA-N 425.872 4.324 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)cc([N+](=O)[O-])c1C 744008214 ZSOBQOIURGYGSG-CVEARBPZSA-N 443.308 4.127 5 20 IIBD COc1ccc(C2(C(=O)O[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CCC2)cc1 744913116 IQNLEAUCIUUOFT-ZDUSSCGKSA-N 432.860 4.249 5 20 IIBD C[C@@H](CC(=O)O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1C(F)(F)F 745222260 KBGYBCPHYPCJSS-SCLBCKFNSA-N 436.386 4.456 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1NC(=O)CC(C)C 745294121 KPFHPTXLRYFSTH-HNNXBMFYSA-N 427.457 4.072 5 20 IIBD C[C@H](CC(=O)c1cccc(F)c1)C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 745396077 FIHIRSHLERTAOT-CHWSQXEVSA-N 427.388 4.297 5 20 IIBD Cc1ccc2c(CCC(=O)OC[C@@H]3CCCN3C(=O)c3ccccc3[N+](=O)[O-])c[nH]c2c1 745951368 DKMMCMHRDAQNLF-SFHVURJKSA-N 435.480 4.165 5 20 IIBD C[C@H](O)CN1CCN(C(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)CC1 746227968 GIAWIFOCQBCRAH-SFHVURJKSA-N 428.532 4.072 5 20 IIBD CC(C)(C)c1ncsc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 746844743 WDYUTJHEWHMLSN-UHFFFAOYSA-N 442.463 4.330 5 20 IIBD CC(C)(C)OC(=O)NC1CCC(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 747415756 JPBKFIASLNUBIB-UHFFFAOYSA-N 432.521 4.105 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cccc3ccc(N4CCCC4)nc23)c(Cl)c1 747846088 YEFDYFQMPJYXMP-UHFFFAOYSA-N 433.873 4.164 5 20 IIBD CC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c(C(F)(F)F)c1 748616936 FPYICQIBPARDRH-UHFFFAOYSA-N 440.334 4.349 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)c1nccc2ccccc12)c1cccc([N+](=O)[O-])c1 748837594 DLCPEXSNFNAPST-LJQANCHMSA-N 433.464 4.385 5 20 IIBD O=C(NCCNc1ccc2ccccc2n1)c1cc(Br)cc([N+](=O)[O-])c1Cl 750887145 NREGMRPUAZNIRA-UHFFFAOYSA-N 449.692 4.401 5 20 IIBD Cc1c(C(=O)Nc2cc(F)ccc2Sc2nccn2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 751125325 HVMZTWQZYHELLM-UHFFFAOYSA-N 445.432 4.396 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 752079285 PSLGUWTYAGAZBS-ZDUSSCGKSA-N 443.953 4.104 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2ccccc2-c2n[nH]c(C3CC3)n2)cc1[N+](=O)[O-] 753069379 TZNHICZKIQKNCE-UHFFFAOYSA-N 433.877 4.020 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cc(F)c(F)c(O)c2F)cc1)c1cccc([N+](=O)[O-])c1 754886281 KLZOPXIBXRYPIU-UHFFFAOYSA-N 432.310 4.189 5 20 IIBD Cn1ccnc1[C@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1cccc(F)c1 755024670 HESSLZMQMQEKNB-MRXNPFEDSA-N 448.252 4.141 5 20 IIBD CC(C)C(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 755062187 JOVCZIJVJPMAIP-ZIAGYGMSSA-N 430.432 4.247 5 20 IIBD O=[N+]([O-])c1nn(CN2CCC[C@H]2c2ccccc2Br)cc1Br 755926910 ZRZWKUFNARUNCK-ZDUSSCGKSA-N 430.100 4.111 5 20 IIBD C[C@H](OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)N[C@H](C)c1ccc(Cl)cc1 758737428 RFQHDYHYSNGBPU-OLZOCXBDSA-N 429.860 4.081 5 20 IIBD COc1ccccc1[C@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)c1ccccn1 760326603 PIBMEMSEGOKFCV-FQEVSTJZSA-N 426.860 4.241 5 20 IIBD O=C(Cc1cc(F)ccc1Br)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760538326 RAVVKMKRLQLNKJ-UHFFFAOYSA-N 435.205 4.437 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1CC(=O)OC(C)(C)C 761902151 WCNZHBKRCCRLPJ-UHFFFAOYSA-N 440.905 4.242 5 20 IIBD CC[C@@H](C)CS(=O)(=O)Oc1ccc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1OC 767231178 SOVOPEJINKAHJY-BEFAXECRSA-N 446.525 4.340 5 20 IIBD CC(=O)[C@H](Cc1ccc(F)cc1F)OC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 768695436 RIAPQISFXRTQTF-SFHVURJKSA-N 427.787 4.039 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCC(c2cccc(F)c2F)CC1 770221148 IRTDTNDVDUEANA-UHFFFAOYSA-N 432.395 4.253 5 20 IIBD CCCCc1ccc(NC(=O)Cc2noc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1 770988732 AQKIMNQCXXESEK-UHFFFAOYSA-N 425.401 4.077 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CCC[C@@H](C[C@@H]2CCOC2)C1 773932826 MEJSSPDKOINBJA-RYUDHWBXSA-N 431.714 4.290 5 20 IIBD O=C(Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1cc([N+](=O)[O-])ccc1Br 773951175 OISZGIILDDHACG-UHFFFAOYSA-N 444.285 4.299 5 20 IIBD O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(C(F)(F)F)cc1Cl 775103458 FHVCRWWKHGNSEK-HNNXBMFYSA-N 428.750 4.229 5 20 IIBD O=C(NCCSCc1ccnc(Cl)c1)c1cc(Br)cc([N+](=O)[O-])c1 777450084 AYZYDWPVUHRLPF-UHFFFAOYSA-N 430.711 4.069 5 20 IIBD CC[C@@H](C)n1nc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1C 778162344 OVGGCGHKGJZYEY-PWSUYJOCSA-N 442.394 4.274 5 20 IIBD CC[C@@H]1C[C@@H](OC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)CCO1 779303381 OFKVTIXDCCLKIR-SJORKVTESA-N 426.469 4.006 5 20 IIBD Cc1ccc(Cl)cc1NC(=O)COc1cc([N+](=O)[O-])ccc1I 780353001 AGEQHKPBHJAAGK-UHFFFAOYSA-N 446.628 4.179 5 20 IIBD O=C(COC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)Nc1ccccc1C(F)(F)F 781259221 APZFXZREZNXDQJ-UHFFFAOYSA-N 440.377 4.496 5 20 IIBD O=C(COC(=O)c1cccc([N+](=O)[O-])c1Br)Nc1ccc(Cl)c(Cl)c1 781675823 ILDQNVSEYBUHDR-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD Cc1cccc([C@@H](O)CN(Cc2ccccc2)c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 782961880 LGSYYEVZWJLXDF-IBGZPJMESA-N 446.550 4.108 5 20 IIBD COC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc1F 783564484 YUAUEMKUWRPZGB-UHFFFAOYSA-N 430.436 4.401 5 20 IIBD COc1ccc(CSCC(=O)OCc2cc(-c3cccc(F)c3)on2)cc1[N+](=O)[O-] 786775377 AUEKBHPDSBUGGM-UHFFFAOYSA-N 432.429 4.374 5 20 IIBD C[C@](O)(CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccccc1Cl 787527612 LECGXSUFKIJUBF-QHCPKHFHSA-N 440.883 4.465 5 20 IIBD Cc1ccc(S(=O)(=O)CCCOc2cc(F)c(Br)cc2[N+](=O)[O-])cc1 790296350 XIWFRYYVRGJKNA-UHFFFAOYSA-N 432.267 4.048 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)O[C@H]([C@H]1CCCOC1)C(F)(F)F 791043973 GXNLLQHDYDTSBB-TVQRCGJNSA-N 426.185 4.180 5 20 IIBD COC(=O)c1csc(-c2cccc(CNC(=O)c3cccc(Cl)c3[N+](=O)[O-])c2)n1 791181454 TZDCCSCLTSPGRB-UHFFFAOYSA-N 431.857 4.088 5 20 IIBD CC(C)c1ccc(OCc2nnc(SCc3c(F)cc([N+](=O)[O-])cc3F)n2N)cc1 795201795 YOEMMRTUOWKINI-UHFFFAOYSA-N 435.456 4.173 5 20 IIBD CC(C)n1cnnc1CN(C)[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 795625312 MNVXFNZAXHOHSU-HXUWFJFHSA-N 442.907 4.232 5 20 IIBD COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Oc1ccc([N+](=O)[O-])c(Cl)c1 795808914 QXIFEFWBSSXKBT-UHFFFAOYSA-N 440.644 4.109 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1OCc1cn2ccccc2n1 798541342 IAVKSVGLTYWLGT-UHFFFAOYSA-N 432.436 4.473 5 20 IIBD CC(C)(C)OC(=O)NCc1nc(CSCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)no1 799987580 HOQAZFQULGDCRJ-UHFFFAOYSA-N 447.473 4.091 5 20 IIBD CC(C)(C)OC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H](c2cccc(Cl)c2)C1 801112500 UYMWNQCMKOEEMK-QGZVFWFLSA-N 434.880 4.011 5 20 IIBD CC(C)(C)OC(=O)NCC[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 809192036 IZVRVVACVVGZOE-CYBMUJFWSA-N 443.447 4.106 5 20 IIBD Cc1ccc(CCC(=O)NCC(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 811086318 SPCWNIFVZAXVHU-UHFFFAOYSA-N 425.268 4.002 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 812133334 HZUHTCQTJMZNJL-YPAWHYETSA-N 433.512 4.272 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC2(CC1)CCN(C(=O)OC(C)(C)C)C2 814664231 SVXUBBCFSQWCHT-UHFFFAOYSA-N 432.521 4.467 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCCCN1C(=O)c1ccccc1 815167714 MJQSAJGWZZLVSW-GOSISDBHSA-N 436.386 4.352 5 20 IIBD CSc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 846285491 OLLUNAFHQLICBZ-AWEZNQCLSA-N 429.498 4.101 5 20 IIBD CC(C)c1ccc(CNc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1[N+](=O)[O-] 863990873 JKCRBSWIWVOJIH-IAGOWNOFSA-N 447.557 4.128 5 20 IIBD O=C(OCc1cc(-c2ccc(F)cc2)no1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 915368655 OPKMLYBHDJDPFM-UHFFFAOYSA-N 425.416 4.349 5 20 IIBD COc1ccc(C2=N/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)O2)cc1[N+](=O)[O-] 916664169 LKTBMWJBQKRFQQ-RVDMUPIBSA-N 435.348 4.116 5 20 IIBD COC(=O)C1=C(C)N(c2ccc(C)c(F)c2)C(=O)N[C@H]1c1cc([N+](=O)[O-])c(F)cc1F 916725411 FZVUJQJZJSCZOD-SFHVURJKSA-N 435.358 4.038 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NCc2ccc(CN3CCC[C@H](C)C3)cc2)c1[N+](=O)[O-] 917068439 WWZIKBNQJURGIF-HNNXBMFYSA-N 428.489 4.148 5 20 IIBD Cc1cccc(NC(=O)[C@H](C)OC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1C 917258416 RWONAKQEDQAXMT-ZDUSSCGKSA-N 440.374 4.337 5 20 IIBD O=C(CCOc1ccc(Cl)cc1Cl)OCc1cc([N+](=O)[O-])cc2c1OCOC2 917320318 UJXFDKUNTXLELM-UHFFFAOYSA-N 428.224 4.280 5 20 IIBD Cc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)n1 917375046 OQNQTBWVCHRVSY-UHFFFAOYSA-N 446.872 4.005 5 20 IIBD Cc1c(C(=O)Nc2ccc(N(C)Cc3ccccc3)cc2)nnn1-c1cccc([N+](=O)[O-])c1 917818561 NQELMAHSGYOYFI-UHFFFAOYSA-N 442.479 4.373 5 20 IIBD COc1ccc(/C=C\C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cc1 918637448 LCMSIMPXPFNCPE-KTZABMDBSA-N 438.480 4.245 5 20 IIBD CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)Oc1ccc(-c2ccccc2)cc1 920108237 QYMMODCGBOKNEP-SFHVURJKSA-N 440.477 4.312 5 20 IIBD COCCn1cc(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c2ccccc21 920669601 WTUXANDKXKQSKZ-CYBMUJFWSA-N 445.859 4.033 5 20 IIBD C[C@H](OC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl 920779331 SNTJLDPYFSIWDN-QWRGUYRKSA-N 427.240 4.239 5 20 IIBD Cc1cc(I)ccc1NC(=O)COc1cc(Cl)ccc1[N+](=O)[O-] 920993206 XNUZFRKRTYSJBA-UHFFFAOYSA-N 446.628 4.179 5 20 IIBD Cc1cc(C(=O)NC2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)no1 1319815144 CDPUKRCKYSOTJV-UHFFFAOYSA-N 426.498 4.014 5 20 IIBD O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 1321612763 VLJSOQCVCIROBR-FQEVSTJZSA-N 431.496 4.221 5 20 IIBD COC(=O)c1ccc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c(C)c1 1337884851 MOYBBXWNRBHZNU-HUUCEWRRSA-N 425.485 4.424 5 20 IIBD Cc1nc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CCC2)ccc1F 1785748491 QFAXIZOSFQZTNV-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1)c1cc2ncccc2[nH]1 1785751052 LJOYRFTYTNIIPK-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD C[C@@H](C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1)c1ccccn1 1785751590 KYZGJHOHPQCVEZ-OAHLLOKOSA-N 434.452 4.134 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccc(C2(NC(=O)C34CC(F)(C3)C4)CCC2)cc1 1786205568 HDLKVCRGMQVXFI-SOFGYWHQSA-N 439.443 4.227 5 20 IIBD Cc1cc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])[nH]4)CCC3)cc2)ccn1 1786741362 CRNROEVTNNEJBW-UHFFFAOYSA-N 447.495 4.007 5 20 IIBD Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])[nH]4)CCC3)cc2)cn1 1786838743 IKXILLSTXAIRQK-UHFFFAOYSA-N 447.495 4.007 5 20 IIBD C[C@@H]1C[C@@]1(C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3F)cc2)CCC1 1791183916 OSJYTVPCSFCBKP-IQMFZBJNSA-N 439.487 4.457 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)NC1(c2ccc(NC(=O)C3=COCC3)cc2)CCC1 1791996310 JNAJSQKFLVFPKC-UHFFFAOYSA-N 439.443 4.094 5 20 IIBD Cc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccccc2Cl)cc1[N+](=O)[O-] 1799537126 OVNJKYVBMBOSEB-BCDXTJNWSA-N 441.915 4.051 5 20 IIBD Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc([N+](=O)[O-])cc2F)c(Cl)c1 1800352387 ZVJJGNKGHVLDJT-QDMKHBRRSA-N 445.878 4.261 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@]2(C)C[C@H]2C)[nH]n1 1821286671 DLZBGZNDXMPJHL-XUTBRHNUSA-N 443.479 4.117 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCC([C@H]2CCCCN2C(=O)CCC2CCC2)CC1 1824349421 BYPKMBLPVXIVJZ-OGECGYFKSA-N 443.544 4.401 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC([C@H]2CCCCN2C(=O)C2=CCCC2)CC1 1826279216 URDHIHDSOUTFSI-OAQYLSRUSA-N 429.492 4.078 5 20 IIBD CC[C@H](C)CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830613258 WDWUWIWHWXUPRF-KKSFZXQISA-N 433.524 4.403 5 20 IIBD C[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1)c1ccccc1 1832889582 PGXWEEDDEWKRGI-YLJYHZDGSA-N 439.512 4.225 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(OCC(=O)c2cc(C)c(C)c(C)c2C)c([N+](=O)[O-])c1 8776695 FVQBNDQYJBCDTJ-UHFFFAOYSA-N 448.541 4.121 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccc(O)cc1 11077732 YTWDOFLUOPZMNO-IBGZPJMESA-N 426.812 4.491 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)c(Cl)c1 15411334 NSNLWMDZQBOXQC-INIZCTEOSA-N 442.324 4.392 5 20 IIBD Cc1cc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1[N+](=O)[O-] 15474256 QKEMMVPYGJAOLA-UHFFFAOYSA-N 429.782 4.286 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1c(-n2cccc2)sc2c1CCSC2 15835193 HGXHNSFVLKUIHC-UHFFFAOYSA-N 428.539 4.078 5 20 IIBD O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NCCNc1ccc([N+](=O)[O-])cc1 16235280 ZUNIVOZECTUIRN-UHFFFAOYSA-N 446.916 4.055 5 20 IIBD CC(C)n1nnnc1S[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 16452834 KOHOWFQXEYLMFX-INIZCTEOSA-N 432.893 4.288 5 20 IIBD Cc1cc(CSc2ccccc2C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)on1 16542607 NPVQCJYUBAHWQT-CQSZACIVSA-N 441.465 4.368 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)CSCc2cccc(Cl)c2)c([N+](=O)[O-])c1 16906521 ZVOKZIAKRWPBBF-GFCCVEGCSA-N 438.889 4.060 5 20 IIBD C[C@@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1cccc(C(F)(F)F)c1 18086653 LKJIYYMIEPFJBO-GFCCVEGCSA-N 437.374 4.179 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2ccccc2SCc2ccco2)c([N+](=O)[O-])c1 18410336 WXOIRGWQHGLJKE-UHFFFAOYSA-N 442.449 4.284 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCN(c4ccncc4)CC3)cc2[N+](=O)[O-])cc1 23913741 RZFPHFRWNBQTLK-UHFFFAOYSA-N 434.521 4.412 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2c(C)cc(=O)oc2C)c2ccccc2)c([N+](=O)[O-])c1 26009238 UFVOWEOXIUHYJX-NRFANRHFSA-N 436.420 4.010 5 20 IIBD O=C(CSc1ccc2c(c1)OCCO2)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 28885174 OFJBPUSWJDTJQJ-UHFFFAOYSA-N 429.479 4.220 5 20 IIBD C[C@H]1CCC[C@H](N(C)C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 29998037 FJJFMSIGIXQUST-YJBOKZPZSA-N 431.514 4.046 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CSc3nnc(NCCc4ccccc4)s3)n2)c1 31848266 YPHAIACELBVGRK-UHFFFAOYSA-N 440.510 4.443 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(-n3nc(C)cc3C)cc2C(F)(F)F)c1 60084654 PKDHDRYTJAXEGS-UHFFFAOYSA-N 448.401 4.355 5 20 IIBD CN(C)C(=O)COc1cccc(CNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])c1 71955657 GXRGCVZTPBKGJU-UHFFFAOYSA-N 431.798 4.346 5 20 IIBD Cc1cc(N(C)CC(=O)Nc2ccccc2Br)c2cccc([N+](=O)[O-])c2n1 302000757 IWKIURYHFSLGCK-UHFFFAOYSA-N 429.274 4.289 5 20 IIBD CC[C@H]1CCCC[C@@H]1N(C)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C 430337523 GFXNGBMUDKLHOQ-WFASDCNBSA-N 426.311 4.031 5 20 IIBD CC(C)(NC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 430558840 BSADXIFAOVCGFP-UHFFFAOYSA-N 435.402 4.406 5 20 IIBD Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)noc1-c1ccccc1F 433158518 JUHZQUIARCHUNB-UHFFFAOYSA-N 428.401 4.046 5 20 IIBD COc1ccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)cc1 436056726 YWSMRSKNZBCENU-UHFFFAOYSA-N 429.479 4.393 5 20 IIBD O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 436091713 PAVDODVMIVPUQF-QFIPXVFZSA-N 427.460 4.051 5 20 IIBD CC(C)[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1nc(-c2ccncc2)no1 436360471 LRZPSNXEKRELTJ-NRFANRHFSA-N 439.475 4.253 5 20 IIBD COC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(OC(F)F)c1 437269213 OLQFKJKPARGMHS-UHFFFAOYSA-N 434.273 4.254 5 20 IIBD O=C(N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)c1cccc([N+](=O)[O-])c1N1CCOCC1 437408223 DJEKSAHRCPGLGJ-JCNLHEQBSA-N 449.429 4.126 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 438762287 VRYKBWFLLAYSMK-UHFFFAOYSA-N 435.845 4.245 5 20 IIBD CCSc1nccnc1-c1noc(-c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)n1 438918247 GSNYIJWVGOUGRD-UHFFFAOYSA-N 437.485 4.075 5 20 IIBD Cn1nc(-c2ccccc2)c2c(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)[nH]nc21 444031352 HRKJIPAHLPBIKY-UHFFFAOYSA-N 434.459 4.210 5 20 IIBD O=C(NC[C@H]1CCCN1Cc1ccccc1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444033743 SDWPKUXSJXQBKT-GOSISDBHSA-N 447.485 4.354 5 20 IIBD CCc1[nH]nc(C(=O)N[C@H](c2cccc(F)c2)c2cccc(Br)c2)c1[N+](=O)[O-] 444305284 SMURSDYDYYCIQB-INIZCTEOSA-N 447.264 4.301 5 20 IIBD COc1ccc2c(c1)[C@@H](NC(=O)c1cc(F)cc3c(=O)c4cc(F)ccc4[nH]c13)CCO2 444308113 BIKNDSAOYOLOJX-FQEVSTJZSA-N 436.414 4.222 5 20 IIBD COCCCOc1cc(C)ccc1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 445951241 CVNIPGGCEIKHOQ-UHFFFAOYSA-N 426.391 4.267 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(-c3noc(C(F)(F)F)n3)c2)c1C 447275383 UHPJULZAXZQNQJ-UHFFFAOYSA-N 442.375 4.081 5 20 IIBD O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCC2CCN(Cc3ccccc3Cl)CC2)n1 447525821 AASMPSFFZJZXEX-SFTDATJTSA-N 431.968 4.430 5 20 IIBD C[C@@H](c1ccc(F)cc1)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 461644336 AYUFRIFSKQAQAL-HOTGVXAUSA-N 425.464 4.226 5 20 IIBD Cc1cc(NC(=O)CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)ccc1Br 462799132 RDOMPBOSJVLAKU-UHFFFAOYSA-N 430.205 4.318 5 20 IIBD C[C@H](CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)Oc1ccc(F)cc1 463948487 XTYPOOBIIYTFAO-HZPDHXFCSA-N 438.459 4.499 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])Nc1cc(Br)ccc1N1CCCC1 467988276 KZFCEJHYZBCJSJ-UHFFFAOYSA-N 433.306 4.322 5 20 IIBD C[C@H](CCc1ccccc1[N+](=O)[O-])NCCCNC(=O)c1ccc(Br)cc1 468378389 VMQLAVWMXAFUBN-OAHLLOKOSA-N 434.334 4.088 5 20 IIBD C[C@@H]1CCN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C[C@H]1n1ccnc1 469381996 SGPLMTNWCGWAOG-SJKOYZFVSA-N 449.298 4.007 5 20 IIBD CC(C)Nc1ccc(Br)cc1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 470102802 CXDXBWCMLMQUOX-UHFFFAOYSA-N 445.277 4.011 5 20 IIBD Cc1coc(-c2ccc(C)c(NC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)c2)n1 470141445 OODSAJHILSUPJN-UHFFFAOYSA-N 436.424 4.193 5 20 IIBD CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 475944023 BOYHDVDVGBLJMP-ZWKOTPCHSA-N 429.542 4.049 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)CCNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] 476158039 PEQWLVZVOVBRCD-UHFFFAOYSA-N 448.907 4.144 5 20 IIBD CC(=O)N1CCC[C@@H](CNC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 477332530 VCRSEWGQWHEPSW-KRWDZBQOSA-N 427.526 4.043 5 20 IIBD Cc1nc(CCNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)sc1C 478176260 DVVHKXLRXALTJW-AWEZNQCLSA-N 425.514 4.209 5 20 IIBD C[C@@H]1CO[C@H](c2ccccc2Cl)CN1c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 480056354 JHCALATUSHZNKM-VFNWGFHPSA-N 429.904 4.451 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 480179514 OGJOJEGVACBEAF-SNVBAGLBSA-N 425.411 4.036 5 20 IIBD CCn1nccc1N1CCC[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O 480468647 LLAIUGYQYMVOPQ-SFHVURJKSA-N 443.891 4.010 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2)cc1SC 482068268 OMWQPGJIJJBTOD-MRXNPFEDSA-N 432.498 4.138 5 20 IIBD COC(=O)c1cc(C(=O)Nc2cc(C)nn2-c2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1 486295297 ZEACXTSMRKGXOL-UHFFFAOYSA-N 448.357 4.147 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1[N+](=O)[O-] 487979848 QWLBXWQORACQRK-OAHLLOKOSA-N 444.919 4.432 5 20 IIBD Cc1n[nH]c(C(=O)Nc2ccc(-c3nc4cc(Br)ccc4[nH]3)cc2)c1[N+](=O)[O-] 488362012 CIJLBBBMWALEAP-UHFFFAOYSA-N 441.245 4.184 5 20 IIBD C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 488472477 YQBKBQFZMMXEDO-GBXCKJPGSA-N 439.559 4.182 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(Cc2c(F)cccc2Cl)o1 488802927 SDTOREPKDZXWQK-UHFFFAOYSA-N 436.852 4.400 5 20 IIBD COC(=O)CCc1csc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)n1 489008759 BSZIOLZJXKHRIN-UHFFFAOYSA-N 426.454 4.153 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O 490816593 CQXNEOKODVGRLK-INIZCTEOSA-N 437.880 4.035 5 20 IIBD COc1cc(CNCc2ccccc2Br)c([N+](=O)[O-])cc1OCC(F)F 493706850 MTCAUCLBBTZBSE-UHFFFAOYSA-N 431.233 4.300 5 20 IIBD COC(=O)[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)Cc1ccc2ccccc2c1 498908190 IILPSUMHYUNOLD-IBGZPJMESA-N 433.464 4.077 5 20 IIBD C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@H](OC1CCOCC1)c1ccccc1 499420258 ICXRONFCLQLRGX-MWTRTKDXSA-N 435.480 4.198 5 20 IIBD COc1ccc(CSCC(=O)Nc2cccc(NC(=O)c3ccoc3)c2)cc1[N+](=O)[O-] 499621191 HJKPSXINYHDMLM-UHFFFAOYSA-N 441.465 4.321 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)cc1[N+](=O)[O-] 500361415 OFEFHDFIEXNYQH-ZHPMQELBSA-N 425.323 4.067 5 20 IIBD COc1ccc(NC(=O)C2CCN(c3noc4ccc(Cl)cc34)CC2)c([N+](=O)[O-])c1 501813244 ATCXKHMSZHFTOL-UHFFFAOYSA-N 430.848 4.253 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cc2)cc1OC 502203849 OEAOUORPRSIMRQ-GFCCVEGCSA-N 442.390 4.434 5 20 IIBD COc1ccc([C@@H](NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C(F)(F)F)cc1 505405264 XFNDBXMACCQVRX-QLJPJBMISA-N 432.782 4.444 5 20 IIBD CCCOc1cc(NC(=O)[C@@H]2COc3ccc(OC)cc3C2)c([N+](=O)[O-])cc1OCCC 505883880 DFTKMGFGDOYFLA-INIZCTEOSA-N 444.484 4.371 5 20 IIBD O=C(NCCN1CCc2sccc2C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 507636865 PJHOMEXTLPKIEG-UHFFFAOYSA-N 436.537 4.057 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2cc[nH]n2)cc1 509627581 ZLDCERGGSSHKFF-UHFFFAOYSA-N 448.220 4.150 5 20 IIBD CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] 509974411 VZMDVHZVWBKSGO-DEOSSOPVSA-N 433.508 4.090 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCC[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1OC 510097079 FUKGSWLIXPWKAQ-IEBWSBKVSA-N 441.528 4.033 5 20 IIBD COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)N2CCCC2)cc1 510739121 BSOKBZXRGYVIIE-HSZRJFAPSA-N 438.528 4.088 5 20 IIBD C[C@@H](Cc1nc2ccccc2s1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 513848713 MCFDIABVKOXWDQ-JTQLQIEISA-N 445.444 4.133 5 20 IIBD C[C@]12CCCN1C[C@H](c1noc(-c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)n1)OC2 516684642 HPXMGRMRPWAFSE-NFBKMPQASA-N 435.484 4.183 5 20 IIBD CCCOc1cc(NC(=O)C(=O)N(C)[C@H]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1OCCC 518149750 PNWWQEFTLLBCLK-RDJZCZTQSA-N 435.521 4.148 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc3nc(N(C)C)ccc3c2)cc1[N+](=O)[O-] 519931495 DKPVTILUYZVXSG-UHFFFAOYSA-N 426.498 4.090 5 20 IIBD CNC(=O)c1cc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)ccc1Cl 521186296 IPSRJSNOGSGTHH-ZIAGYGMSSA-N 444.919 4.342 5 20 IIBD O=C1CCc2cc(-c3csc(NC(=O)c4cc5cccc([N+](=O)[O-])c5[nH]4)n3)ccc2N1 521291725 ZHMSMVXQDNMNFE-UHFFFAOYSA-N 433.449 4.337 5 20 IIBD CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1 522522305 SMPHJQSJVWYJMI-SSEXGKCCSA-N 426.498 4.080 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(c2nc3ccccc3[nH]2)CC1 524191830 OLSVKKQSQFFFNT-UHFFFAOYSA-N 428.876 4.300 5 20 IIBD Cc1cc(Sc2ncccn2)ccc1NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 524213621 YVNVXJQNTRRTQK-UHFFFAOYSA-N 433.449 4.351 5 20 IIBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@H](c1ccc(Cl)cc1)C1CCCC1 524554461 HPMRTYANWMYROH-QFIPXVFZSA-N 443.887 4.021 5 20 IIBD CC(C)c1nc2ccc(NC(=O)C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)cc2s1 525326570 VXZNTWFFNJTVMF-UHFFFAOYSA-N 440.525 4.406 5 20 IIBD CC(C)(C)S(=O)(=O)Cc1ccc(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1 525348853 ZUQIJDCTWFYIOJ-UHFFFAOYSA-N 447.557 4.453 5 20 IIBD CCOc1cc(CNC2CC(C)C2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 531445072 CSKHPMYDTVTERE-UHFFFAOYSA-N 428.485 4.327 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@@H](COc2ccccc2Cl)C1 532826990 FLJSWTCYNUWCHI-MRXNPFEDSA-N 445.903 4.337 5 20 IIBD COc1ccccc1[C@@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccn1 534108200 YELCOOSEPLBPRQ-HSZRJFAPSA-N 432.480 4.462 5 20 IIBD CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])O[C@H](C)C2 537590813 WWZRSOCZVNUFHX-FMEYXAORSA-N 444.915 4.433 5 20 IIBD CC(C)N1CCN([C@@H]2CCN(Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)C2)CC1 539863204 JOFGNFJBOPXWPI-OAQYLSRUSA-N 442.535 4.127 5 20 IIBD CCCOc1cc(NC(=O)N2CCC(O)(C(F)(F)F)CC2)c([N+](=O)[O-])cc1OCCC 540399837 OVLKYRDVKYHUPA-UHFFFAOYSA-N 449.426 4.094 5 20 IIBD Cc1sc2ncc(C(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2c1C 540499831 LPLGZXVNFAPCMY-UHFFFAOYSA-N 436.449 4.326 5 20 IIBD C[C@@H](N[C@H](C)c1nc(C(C)(C)C)no1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 541680733 JASISZWUGPDEHT-VXGBXAGGSA-N 444.517 4.077 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 542056542 YSOVYNBNXXFKFY-CYBMUJFWSA-N 428.436 4.399 5 20 IIBD CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C1CC1 542550255 HNGOOHRPCQRACN-VFNWGFHPSA-N 428.460 4.003 5 20 IIBD CCCN(CCC)C(=O)c1ccc(NC(=O)NCc2cc([N+](=O)[O-])ccc2OC)cc1 543277833 ODHWVTATWHJRAT-UHFFFAOYSA-N 428.489 4.187 5 20 IIBD COc1ccc(CCN(CC(C)C)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1OC 543887593 YXVBXYXDNINJHA-UHFFFAOYSA-N 431.489 4.353 5 20 IIBD COc1ccc(CSCc2nc(-c3ccc(OCC4CC4)nc3)no2)cc1[N+](=O)[O-] 544699883 KFSWSRQRZKMYPP-UHFFFAOYSA-N 428.470 4.271 5 20 IIBD C[C@@H](Nc1ccc(-c2nc(Cc3cn4ccccc4n3)no2)cc1[N+](=O)[O-])c1ccccn1 546940370 HLGFNUSGOJGTBI-OAHLLOKOSA-N 441.451 4.451 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)c1 549199758 FPFIWPJELHKPTN-UHFFFAOYSA-N 444.440 4.218 5 20 IIBD O=C(c1cc(N2CCO[C@H](c3cccc(OC(F)F)c3)C2)ccc1[N+](=O)[O-])N1CCCC1 550857390 GQLIHIBDCGTIJH-FQEVSTJZSA-N 447.438 4.010 5 20 IIBD COc1cccc(OC)c1OCc1noc(-c2cc([N+](=O)[O-])ccc2C(F)(F)F)n1 551395895 KBYXCEVEFZLYHD-UHFFFAOYSA-N 425.319 4.260 5 20 IIBD COc1ccc(CNc2ccc(F)c(NC(N)=O)c2)cc1OCc1ccc([N+](=O)[O-])cc1 552292213 IBHDEQGBSDSEMM-UHFFFAOYSA-N 440.431 4.424 5 20 IIBD CNC(=O)c1cc(Oc2cc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])ccc2C)ccn1 556499276 DJSJIPYCNPAVOG-UHFFFAOYSA-N 448.479 4.366 5 20 IIBD CSc1ccc([C@@H](CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])N(C)C)cc1 561727704 DFYKEDOLJLIJGV-HXUWFJFHSA-N 436.537 4.411 5 20 IIBD CCN(CC)C(=O)c1ccc(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1Cl 562075388 FHZJMCUGFNZPAE-UHFFFAOYSA-N 432.908 4.437 5 20 IIBD CC(C)c1noc(Cc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3SCCO)cc2)n1 567472236 FOWBCYNZXPHTOL-UHFFFAOYSA-N 442.497 4.029 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)Cc1noc([C@H](C)c2cccc([N+](=O)[O-])c2)n1 574198793 RHEBZAIYGSJWST-GFCCVEGCSA-N 430.848 4.281 5 20 IIBD CN1CCC[C@H](CNc2cccc(C(N)=O)c2[N+](=O)[O-])[C@H]1c1ccc(C(F)(F)F)cc1 579816753 VHMYDVYKTJHOMA-RDTXWAMCSA-N 436.434 4.208 5 20 IIBD CC(C)(C(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F 582758841 PREJWIGEJKQAPM-IBGZPJMESA-N 427.520 4.430 5 20 IIBD COc1ccc(CC[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1OC 583654254 DXXGAFGCMSHJNQ-SFHVURJKSA-N 448.541 4.096 5 20 IIBD CN(C(=O)Cc1csc(-c2cc(Br)cs2)n1)c1ccc([N+](=O)[O-])nc1 584678413 QMCUZCUGCUKDNM-UHFFFAOYSA-N 439.316 4.143 5 20 IIBD COc1ccc(F)cc1-c1csc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)n1 603672359 AHXMVPCWHBSCHR-UHFFFAOYSA-N 439.428 4.304 5 20 IIBD COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCc1ccccc1[N+](=O)[O-] 603918886 XXBBREXCTFRAEC-UHFFFAOYSA-N 428.448 4.386 5 20 IIBD CCCCOc1ccc([C@H](C)NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1OC 603920912 IBMVKWSAUFGDGX-INIZCTEOSA-N 438.484 4.459 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccc([N+](=O)[O-])cc1F 604033696 TUURXKMFDSHNKM-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F 604315059 YUUUJOMFBWWUQS-UHFFFAOYSA-N 436.390 4.326 5 20 IIBD CCN(CC)[C@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccsc1 604442703 OCGQBFNOBLELHF-SUMWQHHRSA-N 425.938 4.276 5 20 IIBD CSc1ccc(C(=O)Nc2cc(C)nn2-c2ccc(C(F)(F)F)cn2)cc1[N+](=O)[O-] 608943808 FQLRTFWTKLQXQU-UHFFFAOYSA-N 437.403 4.477 5 20 IIBD COCCOc1ccc(F)cc1NC(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 608945831 DALSPSLCYULUOP-IYBDPMFKSA-N 445.491 4.494 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)cc1SC 609126948 SAESJEUKMLSVNI-INIZCTEOSA-N 426.498 4.487 5 20 IIBD COc1cc([C@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2)ccc1OCc1ccncc1 609442224 LFSNHHHXGNCIDC-AWEZNQCLSA-N 425.416 4.208 5 20 IIBD CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 609444005 PNAZFNCCDVTAHN-UHFFFAOYSA-N 433.390 4.245 5 20 IIBD C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CC(c2nc3ccccc3[nH]2)C1 610844759 UVRDHQJFAPFTAL-ZDUSSCGKSA-N 448.508 4.021 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCc2sc(Br)cc2C1 610935059 FXRUORQHBPOIOW-UHFFFAOYSA-N 446.120 4.380 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1cc(F)ccc1Br 614998864 ZUWFQTKYLYJSRR-UHFFFAOYSA-N 439.284 4.373 5 20 IIBD O=C(c1cc(-c2ccccc2)n(-c2ccccc2)n1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 618741692 BGGIGEGHRXOCBH-UHFFFAOYSA-N 442.479 4.121 5 20 IIBD COc1c(C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)cccc1[N+](=O)[O-] 619427444 KEVMPDZTHALDSO-UHFFFAOYSA-N 430.258 4.046 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)O[C@@H](C)c2cnc3ccccc3c2)ccc1[N+](=O)[O-] 726736336 WJGVXKCILWJOFZ-KSFYIVLOSA-N 433.464 4.360 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(CN(C)Cc2ccccc2)CC1 727758524 AIWSEIVWGDSTIQ-QGZVFWFLSA-N 444.963 4.419 5 20 IIBD COC(=O)c1c(CC(=O)OCc2nc3ccccc3c3ccccc23)[nH]c(C(C)=O)c1C 730035712 CRYUADCVYBOKLV-UHFFFAOYSA-N 430.460 4.300 5 20 IIBD COc1cc(C2(C(=O)OCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)CCCC2)ccc1C 731084084 DPRADMNVAPPDRZ-UHFFFAOYSA-N 430.432 4.045 5 20 IIBD Cc1ncccc1C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 731092650 CALLDYAGSTWYJF-LJQANCHMSA-N 425.828 4.488 5 20 IIBD C[C@H](OC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 731528026 SISLBAJDKAYAOY-UWVGGRQHSA-N 429.231 4.463 5 20 IIBD O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1cccc(OCc2ccccc2C(=O)O)c1 731570003 ZXKXCUYJHKGWSN-MTJSOVHGSA-N 444.399 4.217 5 20 IIBD CCc1ccc2c(c1)[C@@H](CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(=O)N2 731885776 VFHVBRCUJRFIQA-GOSISDBHSA-N 436.512 4.003 5 20 IIBD COc1ccc(CSCC(=O)Nc2nc(-c3ccc(F)cc3)ns2)cc1[N+](=O)[O-] 732942342 GBRXUUCLBQAIQJ-UHFFFAOYSA-N 434.474 4.133 5 20 IIBD C[C@H](NC(=O)COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccc(OC(F)(F)F)cc1 736876829 SYWWPKIPFWYWSY-JTQLQIEISA-N 446.765 4.181 5 20 IIBD COc1ccccc1[C@H](C)CC(=O)OC1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 739382554 ZCXTWWNNPPQKPS-MRXNPFEDSA-N 428.485 4.318 5 20 IIBD O=C(Nc1ccccc1C(=O)NCc1ccco1)c1ccc([N+](=O)[O-])cc1Br 739499337 OYPIYKPHMCWMFH-UHFFFAOYSA-N 444.241 4.133 5 20 IIBD CCOC(=O)c1cc(F)c(F)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Br 741624134 GUEYEOQSFBJOKS-UHFFFAOYSA-N 429.173 4.065 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 741934230 GPJYPYPIRFAYBJ-MRXNPFEDSA-N 440.308 4.364 5 20 IIBD CC(C)N(Cc1cccc(Br)c1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 742146045 JQCKLPKJQPDPBS-UHFFFAOYSA-N 430.306 4.484 5 20 IIBD C[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 742574859 VTLYTYQNCWSFNZ-JXFKEZNVSA-N 427.501 4.156 5 20 IIBD Cc1c(C(=O)Nc2nc3ccc(Br)cc3[nH]2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 742890526 BBKCSPBVHOOBGB-UHFFFAOYSA-N 434.206 4.011 5 20 IIBD CCOc1cc(NC(=O)N2CCN(c3ccc(CC)cc3)CC2)c([N+](=O)[O-])cc1OCC 743083043 UDAMJFKTJPFLLT-UHFFFAOYSA-N 442.516 4.309 5 20 IIBD CN(C(=O)COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCCc2ccccc21 744065038 XATRXXHREITBCQ-KRWDZBQOSA-N 436.386 4.306 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CCN(C3CCCCC3)CC2)CC1 746874402 KSGJBCCZPRRSGR-UHFFFAOYSA-N 428.577 4.358 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1C[C@H]1c1ccc(Br)cc1 748910120 JLUQJXJSCDVYJB-HOTGVXAUSA-N 444.241 4.254 5 20 IIBD CCc1c(C(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cnn1-c1ccc(C)cc1 750436189 VKJOEOFGUIMNHV-UHFFFAOYSA-N 449.511 4.120 5 20 IIBD O=C(N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2 751212460 JPCKGJXNQSNRJZ-XBLGPDGASA-N 437.462 4.392 5 20 IIBD Cc1cc(F)cc(C(=O)NCc2cc(Br)ccc2OC(F)F)c1[N+](=O)[O-] 753091587 BJIBCGMIPIQLIR-UHFFFAOYSA-N 433.180 4.336 5 20 IIBD CC(C)(C)c1ccc([C@H](O)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1 754635053 GFGNSNXRBZOPGH-MRXNPFEDSA-N 439.281 4.257 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC2(CC1)OCc1ccccc12 755030125 MVWQKQFQAZXHNU-UHFFFAOYSA-N 432.274 4.411 5 20 IIBD C[C@H](OC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ncc(Cl)cc1Cl 755065834 MSJLYFUVBUYPEO-IUCAKERBSA-N 430.219 4.110 5 20 IIBD CCOc1cc(C(=O)O[C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC 755864992 DPLKAHBLZGRXAB-SJLPKXTDSA-N 428.485 4.070 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC[C@@H]1Cn1cnc2ccccc21 756320421 LTXMSVMJRUDMHY-CYBMUJFWSA-N 447.264 4.151 5 20 IIBD C[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc2N1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] 759046960 GPQCSQGBPQKXRO-HNNXBMFYSA-N 447.513 4.075 5 20 IIBD Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 759644067 SCGFHDAGVFNVDZ-UHFFFAOYSA-N 445.357 4.095 5 20 IIBD C[C@@H](C(=O)OCc1cc(=O)c(OCc2ccccc2)co1)c1ccc([N+](=O)[O-])cc1F 760231048 SMEOTXXKTRNJNG-CQSZACIVSA-N 427.384 4.113 5 20 IIBD CCOc1cc(C(=O)NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])cc1OC 760700652 PKTNQVZRRRSGOC-MRXNPFEDSA-N 443.283 4.162 5 20 IIBD Cc1cc(F)cc(C(=O)N[C@H](C)c2nc(-c3ccc(Br)cc3)no2)c1[N+](=O)[O-] 760830986 VWLWIQGLNJUXEL-SNVBAGLBSA-N 449.236 4.346 5 20 IIBD COc1ccc(Br)c(OC(=O)c2cccc([N+](=O)[O-])c2Br)c1 763570167 ZJIGPJMGWPTSMW-UHFFFAOYSA-N 431.036 4.348 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)Nc1c(F)cc(F)cc1Br 763720657 YCIIMAFOYIRQRO-UHFFFAOYSA-N 449.591 4.084 5 20 IIBD CCOC(=O)N(C)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)cc1 764000555 XTZIFZYBWAWNKY-UHFFFAOYSA-N 433.486 4.178 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)Cc2nc(C)sc2C)c2ccccc2)c([N+](=O)[O-])c1 767553776 FFGVJHPJEOBZLI-OAQYLSRUSA-N 439.493 4.442 5 20 IIBD O=C(NC[C@@H](O)c1c(F)cccc1F)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 768156687 JMORWEHZMTVQEH-LJQANCHMSA-N 430.432 4.488 5 20 IIBD COc1cccc(C(=O)OCc2ncc(-c3ccccc3Br)o2)c1[N+](=O)[O-] 769605525 YALYCBICIRAXGN-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD O=C(OCc1cn(-c2ccccc2Cl)nn1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 772199125 YTDGZTXCTXPPFY-UHFFFAOYSA-N 441.856 4.309 5 20 IIBD O=C(O[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccc([N+](=O)[O-])cc1F 776380913 ORAGCGLLQIYRPY-QGZVFWFLSA-N 440.349 4.101 5 20 IIBD O=C(Nc1ccccc1)Nc1cccc2c1CCN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 776581648 FVUQXDGDQOZOGG-HSZRJFAPSA-N 432.480 4.331 5 20 IIBD CSc1cccc(C(=O)Nc2cccc(OCCNC(=O)OC(C)(C)C)c2)c1[N+](=O)[O-] 776828445 QGGMIBLMBRIGOX-UHFFFAOYSA-N 447.513 4.473 5 20 IIBD Cc1ccc(C(=O)Nc2ccccc2)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C 777918197 YTKLPRMJFIHJND-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD Cc1ccc(-c2c[nH]cc2C(=O)OCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)s1 778431280 YVMOYDQLCHHQAA-UHFFFAOYSA-N 427.438 4.115 5 20 IIBD CCOC(=O)[C@@H]1CCN(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)c2ccccc21 782747483 KGNMDSWBGIQLCW-CQSZACIVSA-N 433.258 4.055 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790562852 XGBNARNBLURDNQ-LRDDRELGSA-N 443.903 4.130 5 20 IIBD C[C@@H]1CN(c2cccc3cnccc23)CCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790575632 WBPJQGGAVNUQOB-CQSZACIVSA-N 442.878 4.215 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Oc2cccc(CNC(=O)OC(C)(C)C)c2)c1[N+](=O)[O-] 790845345 CBIBKRUJFVCZCE-UHFFFAOYSA-N 436.486 4.004 5 20 IIBD CCCS(=O)(=O)Nc1cccc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c1C 790874690 TXUIBFRFOZIURT-UHFFFAOYSA-N 443.884 4.029 5 20 IIBD COc1c(C(=O)OCc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)cccc1[N+](=O)[O-] 796309272 KDDLBSOPUGWBCQ-UHFFFAOYSA-N 441.461 4.102 5 20 IIBD COCc1nc(C(=O)OCc2ccc(N(C)C)c([N+](=O)[O-])c2)c(-c2ccccc2)s1 799364381 FUJGBFPIXLCOLX-UHFFFAOYSA-N 427.482 4.288 5 20 IIBD CCC[C@H](C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccn1 799533940 CQOIRGPHZDAVKT-ZDUSSCGKSA-N 425.363 4.074 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(C3(c4cccc(Br)c4)CC3)no2)cc([N+](=O)[O-])c1 799670109 UOQSMMDRDWJSDB-UHFFFAOYSA-N 431.202 4.395 5 20 IIBD C[C@H]1[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@H](C)CCN1C(=O)OC(C)(C)C 804846439 YCIDPVJNDYWACY-VVBPWWLESA-N 449.551 4.445 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@@H]1CCN(c2ccccc2Br)C1 809920648 YMGADYPCXJZRKQ-LLVKDONJSA-N 439.697 4.411 5 20 IIBD COc1ccc(CN2CCCN(Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC2=O)cc1 809979122 NNBIUDVEPYPIPN-UHFFFAOYSA-N 438.311 4.145 5 20 IIBD O=C(O[C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811373087 PBYSVTDEWPGTFG-INIZCTEOSA-N 427.215 4.217 5 20 IIBD CC(C)(CCc1noc(C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)n1)[N+](=O)[O-] 812814774 PZLCTOUTNYFIFS-SFHVURJKSA-N 442.903 4.425 5 20 IIBD C[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 814133717 QYKXVDFXLQGJCK-GFCCVEGCSA-N 444.326 4.171 5 20 IIBD CCOc1ccc(C(=O)O[C@@H](C(=O)Nc2cccc3ncccc23)C(C)C)cc1[N+](=O)[O-] 877878018 IUEAWVSRHLFPPT-OAQYLSRUSA-N 437.452 4.362 5 20 IIBD C[C@H](OC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(=O)Nc1cc(Cl)ccc1Cl 915471891 SJTWGJOJKLFOFC-NSHDSACASA-N 449.250 4.271 5 20 IIBD C[C@H](OC(=O)CCOc1ccc(F)c(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 915561405 UZUNWBUGJAESTK-JTQLQIEISA-N 445.230 4.380 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCC(=O)N(Cc1ccccc1)C(C)(C)C 916522821 ONERDMAXLFPAJO-MRXNPFEDSA-N 430.526 4.446 5 20 IIBD Cc1ccc(C(=O)N(C)c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3F)cc2)cc1 917859823 KQFSVJLKQYACMY-UHFFFAOYSA-N 444.440 4.087 5 20 IIBD CCc1ccc([C@H](NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)c2cccc(F)c2)cc1 1317735395 XYAMOTHQRCAKSZ-QHCPKHFHSA-N 449.438 4.110 5 20 IIBD CC(C)CCOc1ccc(-c2nnc(-c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)o2)cc1 1328210649 NPGZUFWNCWMYFR-UHFFFAOYSA-N 431.470 4.140 5 20 IIBD O=[N+]([O-])c1ccc(I)c(-c2nnc(-c3cc4c(s3)CCC4)o2)c1 1328291818 VBCHMVLHTPROPH-UHFFFAOYSA-N 439.234 4.467 5 20 IIBD O=[N+]([O-])c1cc(-c2nnc(-c3ccc(-n4cnnn4)cc3)o2)ccc1Nc1ccccc1 1345819188 TTWCLTUCGLPRIO-UHFFFAOYSA-N 426.396 4.031 5 20 IIBD Cc1ccnc(C(=O)Nc2ccc(C3(NC(=O)c4cc(F)cc([N+](=O)[O-])c4)CCC3)cc2)c1 1788714118 LZWCKWKTWGYVRF-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD Cc1nc(C)c(C(=O)Nc2ccc(C3(NC(=O)Cc4cccc([N+](=O)[O-])c4)CCC3)cc2)o1 1789784973 UWTAJGMVYSRLSN-UHFFFAOYSA-N 448.479 4.190 5 20 IIBD COc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@]4(C)C[C@@H]4C)CCC3)cc2)ccc1[N+](=O)[O-] 1792165790 OITWZGSPQUJFBC-NPMXOYFQSA-N 437.496 4.397 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCCC2(CCN(C(=O)C34CCC(CC3)CC4)CC2)C1 1804650019 NCWYRCXTICRAHU-UHFFFAOYSA-N 429.517 4.003 5 20 IIBD CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])[nH]n1 1816832616 AJUKLPBDGUBDGQ-IENJSVCTSA-N 425.489 4.070 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@]2(C)C[C@@H]2C)[nH]n1 1821286669 DLZBGZNDXMPJHL-KRYGIPSASA-N 443.479 4.117 5 20 IIBD CC1(C)CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(F)c3[N+](=O)[O-])[nH]n2)C1 1822475510 MMBJXIVNNUUZGH-KRWDZBQOSA-N 443.479 4.199 5 20 IIBD CCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1824278750 LJFWTECZRMIBGE-RQMBKDMJSA-N 431.533 4.257 5 20 IIBD CC(F)(F)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 1824627984 KQPNUNQMWDCGOW-HNNXBMFYSA-N 441.475 4.103 5 20 IIBD O=C([C@@H]1C[C@H]1C1CC1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830493181 USDCYEAJYLUBCT-VWPQPMDRSA-N 443.519 4.013 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC(C)C)CC1 1830788721 CIQQEZHKKNPRCC-FQEVSTJZSA-N 445.560 4.278 5 20 IIBD Cc1cccc(F)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 1832548932 ZFVGVXQZVNTKSY-SFHVURJKSA-N 443.475 4.182 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC2(CCCN2C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)C1 1843939263 RUFKQIJGYHIMHS-MAODMQOUSA-N 443.519 4.157 5 20 IIBD O=C1CCc2cc(-c3csc(NC(=O)c4ccc(NC5CC5)c([N+](=O)[O-])c4)n3)ccc2N1 10557706 KIIFUGOUBPWGBE-UHFFFAOYSA-N 449.492 4.430 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)cc2)c(C)c1[N+](=O)[O-] 11652545 KAEKOKAGOOGCHP-QHCPKHFHSA-N 447.539 4.023 5 20 IIBD CCN(CC)[C@@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1Cl 15128857 KYMQBHFLKNGXBF-IBGZPJMESA-N 425.938 4.147 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1ccc(Br)cc1 21920625 QTLYHTZSIPPNFX-LLVKDONJSA-N 426.698 4.470 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(N[C@H](C)c2ccccc2OC(F)F)c([N+](=O)[O-])c1 26718498 PHGBYIWKFNVHGE-CYBMUJFWSA-N 443.472 4.400 5 20 IIBD Cc1c(NC(=O)c2nn(-c3ccccc3C(F)(F)F)c(C)cc2=O)cccc1[N+](=O)[O-] 26767142 HKMNVTWRYBRIDD-UHFFFAOYSA-N 432.358 4.029 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccnn2Cc2ccc(C(C)(C)C)cc2)cc([N+](=O)[O-])c1 26793675 HECMIPLJYVMJPJ-UHFFFAOYSA-N 436.468 4.176 5 20 IIBD COc1cccc(Oc2ccc(CNC(=O)CCOc3cc(C)ccc3[N+](=O)[O-])cn2)c1 58967354 NBXSLNSVPBNLEF-UHFFFAOYSA-N 437.452 4.184 5 20 IIBD C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2ccc(OCc3ccc(F)cc3)cc2)C1=O 63413806 GMHTZDWRLQBFQB-XMMPIXPASA-N 449.438 4.280 5 20 IIBD C[C@H](c1cccc2ccccc12)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 64138711 DWTLNMOCHSHYPR-QGZVFWFLSA-N 439.537 4.035 5 20 IIBD CCc1ccc(NC(=O)c2nnc(COC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)s2)cc1 108800904 XSXFJIUSDMTSSR-GHXNOFRVSA-N 438.465 4.018 5 20 IIBD C[C@@H](OC(=O)/C=C\c1ccc2ccccc2n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 205660204 HJTLOWPEGDMEGW-BIRHUZIMSA-N 425.828 4.380 5 20 IIBD O=C(c1cccc(Cl)c1)N1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 301330230 APMGCUFHRRJJBX-UHFFFAOYSA-N 425.819 4.202 5 20 IIBD O=[N+]([O-])c1ccc(Nc2cccc(C[S@@](=O)C3CCOCC3)c2)cc1OC(F)F 301967716 WPBUZKOTVJBEQH-GDLZYMKVSA-N 426.441 4.368 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)cc1OC 303817550 DDNWPENYZPYALN-CQSZACIVSA-N 433.892 4.054 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(CSCc2ccccc2)c1 409454227 SARPKNPOULMSET-UHFFFAOYSA-N 435.505 4.283 5 20 IIBD O=C(NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 430471455 OHXJFAQHNZOHPT-ICSRJNTNSA-N 440.393 4.256 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ncccc3Cl)cc2)cc1[N+](=O)[O-] 431278162 FFVWWMRMCYMZRR-UHFFFAOYSA-N 446.872 4.005 5 20 IIBD O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1cc(Br)cc([N+](=O)[O-])c1 432212234 FZHXXYFRMWAMJO-UHFFFAOYSA-N 440.681 4.100 5 20 IIBD C[C@]1(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)CCCS1 435840636 RHWWTJQCGSXYKA-GOSISDBHSA-N 437.568 4.148 5 20 IIBD CC(C)CN(C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 435907962 MSAKPJTZSMGFSA-UHFFFAOYSA-N 429.860 4.204 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(Cc2cccc(Cl)c2)s1 437177377 SBOGUFXYPVFEOU-UHFFFAOYSA-N 438.918 4.054 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 437295977 WKWMTRNPZUYVAT-DOTOQJQBSA-N 434.901 4.189 5 20 IIBD COc1cc(CNCc2ccc3c(n2)CCCC3)c([N+](=O)[O-])cc1OCC(F)(F)F 444015880 WUXWVLQIAXNDEZ-UHFFFAOYSA-N 425.407 4.108 5 20 IIBD O=C(Nc1ccn(-c2ccccc2Cl)n1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444235164 FUINHNVSKWZCLW-UHFFFAOYSA-N 432.842 4.912 5 20 IIBD O=C(Cc1noc(CCNc2ccccc2[N+](=O)[O-])n1)Nc1cccc(Cl)c1Cl 445379562 DKTCPJWMVMPHQY-UHFFFAOYSA-N 436.255 4.120 5 20 IIBD CCn1c([C@@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)nc2ccccc21 446052251 IQXDBDZDIBITPN-GFCCVEGCSA-N 431.290 4.147 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](CSc3ccccc3)C2)c(C(F)(F)F)c1 447035061 WHWQNNIAFKFVRV-CYBMUJFWSA-N 446.472 4.417 5 20 IIBD Cc1cc(F)ccc1N(Cc1ccco1)S(=O)(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1C 447344133 UNKYJFLHQRAMKB-UHFFFAOYSA-N 448.428 4.037 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 447628152 DHOYAZVLGRPIMK-UHFFFAOYSA-N 447.419 4.235 5 20 IIBD O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 448451468 YIFKIRUXIJYQGW-NFBKMPQASA-N 434.540 4.296 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2noc(-c3ccccc3)c2Br)cc1[N+](=O)[O-] 448539043 SNZSZWFEBASBPL-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD COc1cc(C(=O)Nc2nc3ccccc3n2-c2ccccc2F)c([N+](=O)[O-])cc1OC 460628833 VIZVXJDFUGXYQY-UHFFFAOYSA-N 436.399 4.342 5 20 IIBD CCN(CC(=O)Nc1c(C)cccc1C)C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 460660733 HFJRUCVFDUOWKF-OAHLLOKOSA-N 433.892 4.120 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C)CC(F)(F)F 463746764 OYWGBVPCYSLDCA-NSHDSACASA-N 433.408 4.157 5 20 IIBD COc1cc(CN2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c([N+](=O)[O-])cc1F 464675552 BBZRFWINZTXAKV-AWEZNQCLSA-N 430.411 4.311 5 20 IIBD CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 465138597 XALVNCCGAHZPBI-OAHLLOKOSA-N 439.295 4.353 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)c1ccc(-c2csc(C)n2)cc1 468621998 NOUOMBHGRUFGOA-PXAZEXFGSA-N 442.545 4.137 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1Sc1nnc(C2CC2)s1 470880245 OJWHBIMAZDTURU-UHFFFAOYSA-N 440.572 4.040 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)cc1F 472531108 QEIUBPFXTXQRJT-CHWSQXEVSA-N 430.461 4.450 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 473521901 KVUWKVXNZMKBGO-UHFFFAOYSA-N 430.386 4.124 5 20 IIBD Cc1cc(C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)ccc1[N+](=O)[O-] 474552866 HAKMQORSSHXCGP-UHFFFAOYSA-N 432.318 4.060 5 20 IIBD C[C@H](C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1ccc([N+](=O)[O-])cc1F 475103035 WXTBGBHUMAVDPI-MGPLVRAMSA-N 440.258 4.066 5 20 IIBD COC(=O)[C@H](CC(F)(F)F)NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 475147912 IJLSOXFFPCDLCV-SFHVURJKSA-N 448.401 4.031 5 20 IIBD C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F 475639905 QUBJQEWXMHUOSP-DIFFPNOSSA-N 445.825 4.307 5 20 IIBD COc1c(C)cnc(CN(C)C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c1C 476177538 XNKNLJSFZHPABQ-HOTGVXAUSA-N 440.544 4.370 5 20 IIBD CCc1nc2c(s1)[C@H](N(C)C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)CCC2 478277978 INYYGTCLTONZIK-OAHLLOKOSA-N 435.571 4.392 5 20 IIBD COc1cc(C(=O)N[C@H](Cc2ccc(O)cc2)c2nc3ccccc3[nH]2)cc([N+](=O)[O-])c1C 479631190 YMMPNRRFXZWOML-HXUWFJFHSA-N 446.463 4.208 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1c1nc2ccccc2n1C(C)C 481432635 GTTPZCXHWOVPPS-IBGZPJMESA-N 428.514 4.360 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1c(OC)ccc2ccccc12 481544342 NHTAZAAGWLBQPD-UHFFFAOYSA-N 426.494 4.425 5 20 IIBD CNC(=O)c1ccc(Sc2nnc(-c3ccco3)n2-c2ccc(C)cc2)c([N+](=O)[O-])c1 481840586 WGZPHTKYAZJPKV-UHFFFAOYSA-N 435.465 4.255 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccc(OCC(F)(F)F)nc1 483618771 QUYIZCGSACGLAJ-UHFFFAOYSA-N 440.422 4.094 5 20 IIBD CC[C@H](NC(=O)c1cccc(SC)c1[N+](=O)[O-])[C@@H](c1ccc(C)cc1)n1cncn1 486409856 QFCKIUVTXVLJNR-PKOBYXMFSA-N 425.514 4.015 5 20 IIBD O=C(NCc1nc(-c2cccc(F)c2)no1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 487770208 KORCPPVOOQYGQE-UHFFFAOYSA-N 448.410 4.293 5 20 IIBD CCCc1c(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cnn1-c1ccc(C)cc1 489095174 ZTPJDZXXUXOJKZ-UHFFFAOYSA-N 437.504 4.107 5 20 IIBD C[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1OCCc2sccc21 490373280 NNGFSGQFFCYACS-QFYYESIMSA-N 429.420 4.177 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 490565499 NEXSTJKJJDQTDG-HNNXBMFYSA-N 445.541 4.441 5 20 IIBD CCN(CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1)CC(C)C 490706847 CSLODAQAUSDDCR-UHFFFAOYSA-N 427.492 4.416 5 20 IIBD CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 490746036 OFBSXTSLCIBAOO-UHFFFAOYSA-N 444.831 4.078 5 20 IIBD CCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)[C@@H](c1ccc(Cl)cc1)c1cccnc1 496497308 QHWFUYUMTQLLJM-QFIPXVFZSA-N 441.919 4.485 5 20 IIBD COC(=O)c1cc(C(=O)N[C@@H](COc2ccccc2F)c2ccccc2)cc([N+](=O)[O-])c1 500716575 LUWFHHPMSVUOGK-FQEVSTJZSA-N 438.411 4.071 5 20 IIBD O=C(Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1)c1cccs1 501797224 OOWRNOKPMVDRPF-UHFFFAOYSA-N 437.886 4.363 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@H](C)[C@H](n3ccnc3)C2)c([N+](=O)[O-])c1 503094643 JZXVWYSIFZYDCT-NMNUPHIUSA-N 433.512 4.363 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc(Oc2ccccn2)cc1 504159913 YOARJSMVAPZJOH-UHFFFAOYSA-N 434.408 4.109 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CN(Cc2ccccc2)CCC1(F)F 506497603 YQFFUNKQYXIPPQ-HNNXBMFYSA-N 441.381 4.292 5 20 IIBD COCCCN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1cc(Cl)ccc1Cl 506793507 JDBYLQZFUFVJDN-UHFFFAOYSA-N 433.313 4.129 5 20 IIBD Cc1cccc(N2CCN(C(=O)c3ccc(N[C@@H](C)c4ccccn4)c([N+](=O)[O-])c3)CC2)c1 507142373 ILZLMEOWLZLBFK-IBGZPJMESA-N 445.523 4.434 5 20 IIBD CN(c1ccccc1)c1ccc(CNCCCS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 507927894 BBXGSVJSDDKGNQ-UHFFFAOYSA-N 439.537 4.316 5 20 IIBD O=C([C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1CC=C(c2ccccc2Cl)CC1 509822987 ZGIZYJYYHRBVEP-QGZVFWFLSA-N 445.928 4.230 5 20 IIBD O=C(NC[C@H](c1cccs1)N1CCCC1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 510835799 GGTRXJFGDSAWLI-CQSZACIVSA-N 426.445 4.216 5 20 IIBD CC1CCN(c2ccc(C(=O)N(Cc3ccco3)C[C@H]3CCCO3)cc2[N+](=O)[O-])CC1 511586964 IBRBZKYXUNEWBE-HXUWFJFHSA-N 427.501 4.246 5 20 IIBD O=C(c1cccc(Cl)c1)N1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 511625447 GNUBTZMHPBPRFI-UHFFFAOYSA-N 439.846 4.198 5 20 IIBD CC(=O)NCCN(Cc1ccsc1)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 512027707 VEIXSLLOVMPQEC-UHFFFAOYSA-N 439.493 4.227 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CC=C(c3ccccc3Cl)CC2)cc1OC 512195719 MAQNFBZASBFGTO-UHFFFAOYSA-N 446.887 4.212 5 20 IIBD CN(CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 512252004 JBQNCYGLXDRNNW-UHFFFAOYSA-N 444.509 4.159 5 20 IIBD Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1 512541542 VOLUCFXZPPFXBK-HDICACEKSA-N 438.528 4.096 5 20 IIBD COc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)c([N+](=O)[O-])c1 514312755 QSMSCMZBBNFOOI-KRWDZBQOSA-N 433.464 4.248 5 20 IIBD COc1ccc(CC(=O)Nc2ccc(OCC(F)F)c(C(F)(F)F)c2)cc1[N+](=O)[O-] 515265821 HIQKVQHPDYTXFK-UHFFFAOYSA-N 434.317 4.447 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCn2cccc2[C@H]1c1ccccc1 517760054 PNRBHNBAAHEVFQ-XMMPIXPASA-N 430.508 4.245 5 20 IIBD Cc1ccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1NC(=O)c1ccncc1 519201774 FHVABDXQUVDUOT-UHFFFAOYSA-N 446.872 4.005 5 20 IIBD CSc1ccc(C(=O)Nc2ccc(C)c(NC(=O)CN3CCCCC3)c2)cc1[N+](=O)[O-] 520030418 XKGMDOHRDNJBHG-UHFFFAOYSA-N 442.541 4.302 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(c2c[nH]c3ncccc23)CC1 523980049 ZDGFBVXYCWQDBL-UHFFFAOYSA-N 428.876 4.300 5 20 IIBD Cc1nn(CCC(=O)N(Cc2ccc3c(c2)OCO3)C2CCC(C)CC2)c(C)c1[N+](=O)[O-] 524185240 IYNCOUNNYSOILJ-UHFFFAOYSA-N 442.516 4.134 5 20 IIBD C[C@H](NC(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1)c1cccc([N+](=O)[O-])c1 524211185 GXYPELSKAQKSEK-WMLDXEAASA-N 439.447 4.434 5 20 IIBD CO[C@H](CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1ccccc1 525752135 YRRGKQDEKFHRJH-QGZVFWFLSA-N 435.267 4.205 5 20 IIBD C[C@H](NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1cc2ccccc2s1 527199865 WLJQXLKLLXIUIK-HNNXBMFYSA-N 438.509 4.038 5 20 IIBD Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)N(C)c4cccc([N+](=O)[O-])c4)cc3C2=O)c1 533147910 FBRQDLMSXOYOCU-UHFFFAOYSA-N 429.432 4.289 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 533918849 SYEAKWLIUBLQEB-OAHLLOKOSA-N 434.496 4.438 5 20 IIBD CCC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 534051116 NSZOYPKBGOUSLT-CYBMUJFWSA-N 439.921 4.109 5 20 IIBD C[C@@H](C(=O)Nc1ccccc1Cl)[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 536304525 BWYMIXRHIGDZGM-WUTCKBNWSA-N 433.873 4.179 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)Nc3ccc4[nH]nc(C(N)=O)c4c3)cc2[N+](=O)[O-])cc1 536358998 PEYUEZOYAGOIJB-UHFFFAOYSA-N 447.476 4.282 5 20 IIBD CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1Cl 537489252 LBCLHIRLBBVZBA-BYICEURKSA-N 427.888 4.156 5 20 IIBD COc1ccc(CN[C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1[N+](=O)[O-] 539703094 DKBXDSXBNDOXFS-QFIPXVFZSA-N 444.484 4.025 5 20 IIBD COc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)c([N+](=O)[O-])cc1OC 540059044 QMAZAPVGLHYJOS-UHFFFAOYSA-N 437.239 4.357 5 20 IIBD COc1cccc([C@H]2[C@H](c3ccccc3)CCN2C(=O)CCn2cc([N+](=O)[O-])nc2C)c1 544250776 UIOUVWUPNNNDFP-URXFXBBRSA-N 434.496 4.256 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H]2CC(=O)N(CCOc3ccccc3Cl)C2)n1 544791308 QOSNFFJLLZEXFF-CQSZACIVSA-N 442.859 4.002 5 20 IIBD CC(C)(C)c1nc(CN2CCCN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])CC2)no1 553108724 ULBAYVWRQCZZPE-UHFFFAOYSA-N 428.320 4.294 5 20 IIBD CC(C)Oc1ccc([C@H](CN[C@H](c2ccc([N+](=O)[O-])cc2)c2nccn2C)N(C)C)cc1 554092999 SPAFOPDRAABKQX-XZOQPEGZSA-N 437.544 4.097 5 20 IIBD Cc1cccc(COc2cccc(NCC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)c2)c1 554338755 WJZRVWMWVCAXCA-UHFFFAOYSA-N 435.436 4.262 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@H](n2cc(Cl)cn2)C1 558563327 WLLMJNLGJOWAEI-LBPRGKRZSA-N 434.827 4.029 5 20 IIBD COc1ccc(Oc2cc(CN[C@@H](c3ccc([N+](=O)[O-])cc3)c3nccn3C)ccn2)cc1 560522077 ZBAJPPNBTGGEQT-QHCPKHFHSA-N 445.479 4.403 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N3CCC[C@@H]3C(F)F)c([N+](=O)[O-])c2)c(C)c1 561445353 ZJVKZMPLKIJEKH-QGZVFWFLSA-N 425.457 4.246 5 20 IIBD O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)Nc1cccc(-c2cccs2)c1 565858149 XUKNIPRYUVZIMV-UHFFFAOYSA-N 434.477 4.102 5 20 IIBD O=C(Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])c1ccnc(NC(=O)C2CC2)c1 568558282 QNIXVSWJMWRDBN-UHFFFAOYSA-N 432.436 4.170 5 20 IIBD CCOc1ccc(NC(=O)Cc2noc(-c3cc([N+](=O)[O-])ccc3C(F)(F)F)n2)cc1 569087862 WDQMRMFMDZYRGQ-UHFFFAOYSA-N 436.346 4.244 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)c1 573097961 LBBNDVFHXBJXJU-UHFFFAOYSA-N 430.464 4.322 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ncnc2scc(-c3ccccc3)c12 575796296 FKQBDRFERILWQV-UHFFFAOYSA-N 426.479 4.376 5 20 IIBD COc1cc(C(=O)Nc2ncncc2OC)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 576087782 KKARWKVKQWLXQW-UHFFFAOYSA-N 430.804 4.100 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CN[C@H]2COc3c(Cl)cccc32)c1 589314830 ZMBJLNFPFLGSBY-AWEZNQCLSA-N 430.629 4.076 5 20 IIBD COc1cc(C(=O)N2CC[C@H](N(C)C)[C@H]2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 590566190 GOQZVRVYQZTALR-CJNGLKHVSA-N 433.892 4.214 5 20 IIBD O=C(Cc1ccc(NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)N1CCSCC1 600853769 DSSILKWDVVGPLL-UHFFFAOYSA-N 439.459 4.344 5 20 IIBD Cc1cc(C)c(-c2csc(NC(=O)[C@@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1C 603461286 LASHBKJYDFPJOC-OAHLLOKOSA-N 438.509 4.401 5 20 IIBD O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 603854266 ZHJHOHHOTOQTLR-UHFFFAOYSA-N 431.279 4.412 5 20 IIBD CCc1cccc(Oc2ccc(NS(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)cn2)c1 603979890 ZEAUUBLYVGQMMP-UHFFFAOYSA-N 429.454 4.154 5 20 IIBD COc1ccc(CNC(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)cc1[N+](=O)[O-] 604105756 WRQDLWUYNQZIGH-MRXNPFEDSA-N 436.468 4.138 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NC[C@@H](O)COc3cccc(C)c3)c([N+](=O)[O-])c2)cc1 608974675 XJFMIPTUMUHAPH-HXUWFJFHSA-N 435.480 4.316 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1c(C)cnn1[C@@H]1CCCc2ccccc21 609321497 AQDBTEWOVDDDGQ-HXUWFJFHSA-N 440.525 4.389 5 20 IIBD COC(=O)c1cc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)o2)cc([N+](=O)[O-])c1 609837719 ZVIMVSMIFFVFEH-UHFFFAOYSA-N 446.419 4.388 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 610210310 IQDMQLOCMQJXGC-NQIIRXRSSA-N 447.944 4.277 5 20 IIBD C[C@H](Sc1nnc(-c2cccnc2)n1C1CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 611190650 MYSWTNPQGJJQBV-LBPRGKRZSA-N 435.469 4.487 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)CCCc1cc(-c2ccc(F)cc2)no1 619283982 QDKUVMFADOBGEG-UHFFFAOYSA-N 427.432 4.492 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@@H](COc1ccccc1)c1ccccc1 730914578 ALDFABBGCZODRI-IBGZPJMESA-N 439.855 4.123 5 20 IIBD O=C(Oc1ccc(Cc2ccccc2)cc1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 731983307 BRKJKXJNDGJGQY-IBGZPJMESA-N 436.489 4.457 5 20 IIBD COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)s2)cc1 733771941 DBKXHLMQPWONHN-LLVKDONJSA-N 442.453 4.435 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1csc(Cc2ccccc2F)n1 735557382 BZCMFCJFIKSGAH-UHFFFAOYSA-N 440.412 4.188 5 20 IIBD COc1ccccc1-c1nc(CS(=O)(=O)Cc2cc([N+](=O)[O-])ccc2Cl)cs1 735561997 FVYAVBDZBVPTGX-UHFFFAOYSA-N 438.914 4.495 5 20 IIBD CN(C[C@H]1CCCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1)C(=O)OC(C)(C)C 740483604 SVVKBVJQAYFENT-LJQANCHMSA-N 448.564 4.206 5 20 IIBD COc1ccccc1-c1nn(C)cc1C(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 740664300 FQOJSEGLDOXVHT-UHFFFAOYSA-N 434.408 4.016 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)Cc1cc2c(cc1Br)OCCO2 740680573 PFSKBHQMZGWBNV-UHFFFAOYSA-N 441.665 4.272 5 20 IIBD COc1cc(NC(=O)C(C)C)c(C(=O)OCc2ccc(Cl)c([N+](=O)[O-])c2)cc1OC 741440491 NIXKYHYGPFXBKN-UHFFFAOYSA-N 436.848 4.217 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1cc2ccccc2cc1NS(C)(=O)=O 741934885 PHFCYXPTHXJTGL-UHFFFAOYSA-N 433.873 4.334 5 20 IIBD CC(C)c1cnc(NC(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)s1 741995947 DOSHQMWZCPUJFM-UHFFFAOYSA-N 447.494 4.195 5 20 IIBD COc1cccc(F)c1C(=O)O[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 745311384 JHLPMXCUKPFJDS-NSHDSACASA-N 445.428 4.050 5 20 IIBD C[C@@H](C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(Br)s1 745639005 HADQPDDIJHOVNU-SECBINFHSA-N 438.259 4.316 5 20 IIBD Cc1nc(-c2cccc(C(=O)OCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])c2)cs1 745675773 FPOZFQWFORFGQT-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)cccc1[N+](=O)[O-] 747522654 CWLXLPGRLWUVTP-MAZHCROVSA-N 447.285 4.340 5 20 IIBD Cc1c(C(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748631836 VURPLVIVOOWQJE-AOOOYVTPSA-N 443.300 4.323 5 20 IIBD CC(=O)Nc1cccc(COC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 749101003 JGENXXQSRXAYEH-UHFFFAOYSA-N 425.363 4.117 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cccc(Cl)c1[N+](=O)[O-] 750160789 NWPJPAPRQLXURN-UHFFFAOYSA-N 437.905 4.065 5 20 IIBD CCOc1ccc(OC(C)(C)C(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1 750427072 KEMXKVYDHCAYHN-UHFFFAOYSA-N 443.500 4.006 5 20 IIBD C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H](O)c1c(F)cccc1Cl 751069121 ARTYYCSWOGVQEY-GLEZIHRCSA-N 431.645 4.002 5 20 IIBD CCN(C(=O)c1ccc(SC)c([N+](=O)[O-])c1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 751115342 GILSDHPDXPCJNN-UHFFFAOYSA-N 448.444 4.277 5 20 IIBD NC(=O)c1ccc(COC(=O)c2cc(C3CC3)nc3ccc(Cl)cc23)c([N+](=O)[O-])c1 751725983 ZOTTZCWOIZYSOX-UHFFFAOYSA-N 425.828 4.130 5 20 IIBD C/C(=C/C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1OC(F)F 753542109 NIPVYTICIFDXFB-FLIBITNWSA-N 440.786 4.435 5 20 IIBD O=C(Oc1ccc2c[nH]nc2c1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 754709314 SSCGBKKSQMUATH-UHFFFAOYSA-N 434.374 4.312 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN(Cc1ccccc1)C[C@@H](O)c1ccsc1 756903838 OHTMJOBULCDBHV-HXUWFJFHSA-N 425.510 4.139 5 20 IIBD Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cnc(Cl)c1Br 758943178 BUBWUWWKPQWFFC-UHFFFAOYSA-N 441.090 4.168 5 20 IIBD O=C(CN[C@H](c1ccccc1)C(F)(F)F)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 761449096 AGKIMAITNNCCPH-GOSISDBHSA-N 435.358 4.186 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](CC(F)F)c1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 762306916 APDJTGQUUAOBGH-AWEZNQCLSA-N 437.403 4.271 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@@H]3CCc4ccc(OC)cc43)CC2)ccc1[N+](=O)[O-] 763987235 OBZNNCXPMSHRGA-HXUWFJFHSA-N 440.496 4.244 5 20 IIBD C[C@@H](C(=O)OC[C@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 764018580 MSKKTEXQDSQCOJ-YJYMSZOUSA-N 446.422 4.431 5 20 IIBD C[C@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)cc1Cl 764623941 ANTWYNVXGPUYEF-HZMBPMFUSA-N 426.853 4.358 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])Cn1nc(-c2ccccn2)n(-c2ccccc2)c1=S 764884370 ZOVJHEYIBZIBRL-UHFFFAOYSA-N 432.509 4.463 5 20 IIBD CN(C(=O)c1ccncc1)c1ccc(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 766074387 FSTIHTGXDKESAP-UHFFFAOYSA-N 445.523 4.025 5 20 IIBD Cc1ccc(Cc2nc(C(=O)O[C@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cs2)cc1 768659754 XHDLBXGPJMIYJC-CYBMUJFWSA-N 443.456 4.274 5 20 IIBD CCOc1cc(CN2CCC3(CCCC3)C2)ccc1OCCn1c([N+](=O)[O-])cnc1C 769403875 YNICNACOQOOBSF-UHFFFAOYSA-N 428.533 4.344 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2cccc(C(=O)OCc3ccccc3)c2)s1 769869609 BEZCNAWSGDEYAE-UHFFFAOYSA-N 446.506 4.029 5 20 IIBD C[C@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H](C)CN1C(=O)OC(C)(C)C 771730263 DXYUEXNEZVAQSE-KGLIPLIRSA-N 446.529 4.188 5 20 IIBD O=C(O[C@@H](C(F)F)[C@H]1CCCO1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 774434983 HPAWNFRZYNITHO-TZMCWYRMSA-N 436.198 4.057 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCC(c2ccc(Cl)cc2)CC1 775375331 OZTZTLMPFONBOK-UHFFFAOYSA-N 429.904 4.105 5 20 IIBD COc1ccc(-n2nc(C(=O)O[C@@H](c3cccnc3)c3ccccc3[N+](=O)[O-])cc2C)cc1 776139319 PHZHXIZWIXXJBO-QHCPKHFHSA-N 444.447 4.439 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1csc(-c2ccc(F)c(F)c2)n1 780136602 VHUVARGWNTUINN-UHFFFAOYSA-N 434.376 4.220 5 20 IIBD CC[C@H]1c2ccsc2CCN1C(=O)COC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 781259185 ACMMJHGLHQPRPW-NRFANRHFSA-N 446.528 4.436 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCc1ccc(-n2cnc3ccccc32)cc1 781622624 KYIMZANOMJEVKF-UHFFFAOYSA-N 445.435 4.091 5 20 IIBD Cc1cc(N2CCCC2)ccc1NC(=O)COC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 784258447 YKXWZKJATLSXQY-UHFFFAOYSA-N 425.485 4.422 5 20 IIBD O=C(OCC(F)(F)F)N(c1ccccc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 790116818 GYMWKNJLTWDBQW-UHFFFAOYSA-N 438.767 4.142 5 20 IIBD CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c1 790559534 KXPFNXKVSIYMRI-UHFFFAOYSA-N 442.896 4.282 5 20 IIBD O=C(COC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccncc1Cl 792261620 KLFZVSTVBFERCF-UHFFFAOYSA-N 426.812 4.262 5 20 IIBD CN(CCC(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)OC(C)(C)C 794846264 KIVTYSPJHDADEG-UHFFFAOYSA-N 443.456 4.010 5 20 IIBD O=C(N[C@@H](c1c[nH]c2ccccc12)C(Cl)(Cl)Cl)c1cnc(O)c([N+](=O)[O-])c1 804577708 ZCLNVGBKRCIVSU-ZDUSSCGKSA-N 429.647 4.018 5 20 IIBD COc1ccc(NC(=O)N2CCCC[C@H]2COC(=O)NC2CCCCC2)cc1[N+](=O)[O-] 806402676 IHZZRDYAXAGRQZ-KRWDZBQOSA-N 434.493 4.049 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)NC2(c3cccc(F)c3)CCOCC2)c(Cl)cc1Cl 809822609 PZMYZQJCITWBEH-UHFFFAOYSA-N 449.287 4.025 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N1CCCC[C@@H]1c1ccccc1 810389339 FUVYIOQEEHRVBO-MRXNPFEDSA-N 432.274 4.050 5 20 IIBD COCCc1nc(COC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)no1 811067605 XYDFNEKLQNOBKF-UHFFFAOYSA-N 449.872 4.328 5 20 IIBD COCCn1c(-c2c[nH]c3ccccc23)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 812148074 SLRQNVKWRDFKRF-UHFFFAOYSA-N 434.500 4.396 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C2)C1 814478296 RBQOCURSERGQLL-IRXDYDNUSA-N 432.521 4.486 5 20 IIBD C[C@@H](c1ccc(F)cc1)N1CC[C@H](OC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C1=O 815235137 QDEXQZNMWNECMF-ZBEGNZNMSA-N 440.349 4.272 5 20 IIBD CCCCC(=O)O[C@@H](c1ccccc1)[C@@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 864021892 HJRWEMREEILRJV-IIBYNOLFSA-N 434.514 4.079 5 20 IIBD C[C@@H](OC(=O)COc1ccccc1C(F)(F)F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 914987387 PUIGYGVCQFVAPW-LLVKDONJSA-N 437.330 4.347 5 20 IIBD COc1cc(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])ccc1OCc1cccnc1 915197029 DYWQQITUROQMJX-UHFFFAOYSA-N 427.844 4.161 5 20 IIBD CN(C(=O)c1cc(Cl)sc1Cl)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 916991428 PSBFGIWTWUVWBG-UHFFFAOYSA-N 429.690 4.077 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)Oc2cccc([N+](=O)[O-])c2C)CC1 917048572 OYPQJLHPLMMQCN-UHFFFAOYSA-N 432.860 4.023 5 20 IIBD Cc1cc(=O)c(C(=O)OCc2c(Cl)cccc2Cl)nn1-c1ccccc1[N+](=O)[O-] 918033079 MYGCXFCNCYOBTG-UHFFFAOYSA-N 434.235 4.113 5 20 IIBD O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)OCc1cc(F)ccc1[N+](=O)[O-] 918793727 XUSAJHJKIFVCPN-UHFFFAOYSA-N 436.395 4.007 5 20 IIBD CC(=O)N(c1ccc(Cl)cc1)c1nc(COC(=O)c2ccc([N+](=O)[O-])n2C)cs1 919025710 NBHYXFAGRZETGS-UHFFFAOYSA-N 434.861 4.085 5 20 IIBD O=C(OCc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 920575136 RKUGBCNSTFRUSB-ZDUSSCGKSA-N 427.215 4.137 5 20 IIBD CCCN(Cc1nc(O)c2sccc2n1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 1116251368 WRRXATUKQPUQEX-UHFFFAOYSA-N 435.893 4.080 5 20 IIBD CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F 1116593356 ZKKXPIDFJVZCCI-UHFFFAOYSA-N 445.491 4.353 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(-c3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)o2)c1 1118412614 KDVVGLQERSFKOW-UHFFFAOYSA-N 448.888 4.140 5 20 IIBD Cc1ccc(NCCCNC(=O)N2CCC(c3nc4ccccc4o3)CC2)c([N+](=O)[O-])c1 1319025074 VGDOTTAXLYWEDL-UHFFFAOYSA-N 437.500 4.436 5 20 IIBD COc1cc(COC(=O)[C@H](C)c2ccc(F)cc2F)c([N+](=O)[O-])cc1OCC(F)F 1319937695 REJIIWZHGADYHN-SNVBAGLBSA-N 431.338 4.372 5 20 IIBD O=[N+]([O-])c1ccccc1OCc1nnc(-c2cccc(-n3nccc3C(F)(F)F)c2)o1 1326974542 AECNMBXYPRRIPY-UHFFFAOYSA-N 431.330 4.428 5 20 IIBD CN(Cc1ccc([N+](=O)[O-])cc1Br)[C@H](c1cccc(F)c1)c1cnn(C)c1 1338311549 JPFAANYFKWOFRQ-LJQANCHMSA-N 433.281 4.451 5 20 IIBD O=C(c1ccccc1)N1CCN(Cc2nnc(-c3cc4ccccc4c4cccnc34)o2)CC1 1348908792 GQJGARVPDJRNDZ-UHFFFAOYSA-N 449.514 4.396 5 20 IIBD COC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])cc2)CCC1 1792315488 SKLFHELHEOOTFO-MSGBMKDASA-N 437.496 4.025 5 20 IIBD CCCCC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1F)C2 1801715991 PMNSDJMMBXWWLR-KANFNMMFSA-N 433.524 4.131 5 20 IIBD CC(C)=CCCC(=O)N1CCC2(CCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)CC1 1804753725 BBJBDOHYEOXEFX-UHFFFAOYSA-N 427.545 4.115 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(Cl)c2)[nH]n1)c1ccc([N+](=O)[O-])o1 1814311381 HVIALLNQYRFCAD-HNNXBMFYSA-N 443.847 4.184 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CC=CCC2)CC1 1830276568 APTQQHDDGANNOI-JTHBVZDNSA-N 439.556 4.113 5 20 IIBD Cc1ccc(CC(=O)N2CC3(CCCN3C(=O)c3oc4ccccc4c3C)C2)cc1[N+](=O)[O-] 1843686521 PAWDPLNSGQVJPW-UHFFFAOYSA-N 447.491 4.018 5 20 IIBD C[C@@H](OC(=O)COc1ccccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 10362998 KNERLSSNXNSZBG-SNVBAGLBSA-N 446.765 4.216 5 20 IIBD O=C(COC(=O)COc1ccc(Cl)cc1Cl)Nc1ccc(Cl)c([N+](=O)[O-])c1 11025100 COTPVRAVBVGQRY-UHFFFAOYSA-N 433.631 4.116 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCc3nc4ccccc4n3C)cc2[N+](=O)[O-])n1 15132405 GLLDCIVBWKKUSU-UHFFFAOYSA-N 439.522 4.328 5 20 IIBD Cc1cc(CSc2ccccc2C(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])on1 16542616 XGCSXDODECBJKH-AWEZNQCLSA-N 441.465 4.368 5 20 IIBD C[C@@H](OC(=O)[C@H]1COc2ccc(Cl)cc2C1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 16796788 BKTVQQPADWGYAY-ZYHUDNBSSA-N 439.251 4.023 5 20 IIBD C[C@H](Sc1nnc(C2CC2)n1Cc1ccco1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 21685148 IYCSRXDUFSDLQT-NSHDSACASA-N 447.904 4.478 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N(Cc2ccccc2)Cc2ccco2)cc1[N+](=O)[O-] 30223859 ACUHXDNYNQXCOO-UHFFFAOYSA-N 449.492 4.310 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O 31930085 YRBJOLWFOVYBFY-UHFFFAOYSA-N 449.850 4.321 5 20 IIBD CNC(=O)c1cccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C 46863493 HYLXAHXWHSHSPT-UHFFFAOYSA-N 427.404 4.012 5 20 IIBD Cc1ccccc1CN1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 65099884 QMHHYKRWXBSYCB-UHFFFAOYSA-N 436.537 4.375 5 20 IIBD CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 72058164 XTHNKXJBGDVIJK-CQSZACIVSA-N 434.899 4.020 5 20 IIBD COc1ccc([C@H](CNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])N2CCCCC2)cc1 105431871 SCHJVNDMWZRDAG-QHCPKHFHSA-N 440.544 4.381 5 20 IIBD Cc1nnnn1-c1ccc(F)c(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c1 110662702 OQRSZTKBGPXCOC-UHFFFAOYSA-N 433.403 4.014 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 217196801 MAFMJTGFZNCWMA-MRXNPFEDSA-N 439.459 4.096 5 20 IIBD O=C(Nc1ccccc1C(=O)NCCCN1CCCCC1)c1ccc([N+](=O)[O-])cc1Cl 247355798 XSOSROJTXIRMHL-UHFFFAOYSA-N 444.919 4.106 5 20 IIBD CC(C)[C@@H](Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])c1nc(-c2nnc[nH]2)no1 301769064 CQVZERUDZBIERZ-LLVKDONJSA-N 431.762 4.244 5 20 IIBD Cc1cc(N2CCC[C@@H]2c2nc(-c3ccccc3Br)no2)ncc1[N+](=O)[O-] 302628235 GARYTCAJTJXMJE-CQSZACIVSA-N 430.262 4.452 5 20 IIBD COc1ccccc1-c1nc(C2CCN(c3cc(OC)c([N+](=O)[O-])cc3F)CC2)no1 302706391 JLCVSLWZAKGBNM-UHFFFAOYSA-N 428.420 4.185 5 20 IIBD O=C(Nc1ccc(COC2CCCC2)cc1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303851977 VBOGWMCOMACINU-GOSISDBHSA-N 443.525 4.359 5 20 IIBD CCCOc1cc(NC(=O)C(=O)Nc2cccc3[nH]ccc23)c([N+](=O)[O-])cc1OCCC 426180326 YKCLNWKVSIYPJR-UHFFFAOYSA-N 440.456 4.231 5 20 IIBD CC(=O)N(c1ccc(Cl)cc1)c1nc(COc2ccc([N+](=O)[O-])c(CO)c2)cs1 428083513 CUWQEWSJLSGBHG-UHFFFAOYSA-N 433.873 4.461 5 20 IIBD Cc1ccc([C@H](C)NC(=O)Nc2ccc(CCN3CCSCC3)cc2)cc1[N+](=O)[O-] 429064813 OLXCZLJJWLVGNF-KRWDZBQOSA-N 428.558 4.377 5 20 IIBD C[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1nc(Cc2ccccc2)no1 429115733 OXDXDXCCGLMWJU-LLVKDONJSA-N 433.371 4.053 5 20 IIBD CCCc1c(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cnn1-c1ccccc1C 429279853 WEOOFAAXCZFEBI-UHFFFAOYSA-N 430.468 4.479 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3cccc(SCC)c3)CC2)ccc1[N+](=O)[O-] 432146243 AWIHXZDKKWFXCI-UHFFFAOYSA-N 430.530 4.460 5 20 IIBD COc1ccc([C@@H](N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c2ccc(F)cc2)cc1 433698833 IKYDLZOVAINSJO-PKTZIBPZSA-N 435.455 4.227 5 20 IIBD C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1I 434250177 PCZAXCHVHJOJSJ-IUODEOHRSA-N 436.249 4.218 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])c(C2CC2)n1)Nc1ccc(Br)c(C(F)(F)F)c1 436206325 DRGZTOSCHMMADH-UHFFFAOYSA-N 433.184 4.089 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)Nc2cccc(-c3cnco3)c2)cc1[N+](=O)[O-] 438792994 QZVOBAFKGNCBGP-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CC[C@H]([C@H]2CCOC2)C1 441576974 APMJDZCCFZJJAO-ROUUACIJSA-N 429.904 4.359 5 20 IIBD Cc1cncc(N(Cc2ccc(F)cc2)S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1 442619597 KKZDLRRATHZTOF-UHFFFAOYSA-N 429.473 4.016 5 20 IIBD COc1ccc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c(O)c1 443555186 CMVFKEXQYGAQGW-UHFFFAOYSA-N 444.447 4.343 5 20 IIBD C[C@H]1C[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CN1Cc1ccccc1 444222256 FMWZJZWSXSHBTM-HNAYVOBHSA-N 447.485 4.352 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(CCc3ccc(OC)c(Br)c3)n2)c1 445580075 OVWOKOCNIUEMEI-UHFFFAOYSA-N 448.273 4.134 5 20 IIBD CCOc1ccc([C@@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1OC 445844128 YEQPCZQRXFQINQ-GFCCVEGCSA-N 437.290 4.185 5 20 IIBD CC(C)N(C)c1ccccc1CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 445865360 FGJLVFLOCPFKLX-UHFFFAOYSA-N 426.517 4.192 5 20 IIBD COc1ccc(N2C(=O)[C@H](c3ccc(Br)cc3)N(C(C)C)C2=O)cc1[N+](=O)[O-] 445988682 BFBMXFAGFNCQAI-KRWDZBQOSA-N 448.273 4.284 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC(OC2CCCCC2)CC1 446148169 YQCDYNGXGSKNBV-UHFFFAOYSA-N 425.323 4.240 5 20 IIBD Cc1ccc(CNC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])c(OCCC(C)C)c1 446642406 OVTGNEURJVENLW-UHFFFAOYSA-N 447.919 4.028 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCOc3c(Cl)cccc32)c(C(F)(F)F)c1 447014904 DTQGIQZZMXQFSS-CYBMUJFWSA-N 436.795 4.069 5 20 IIBD O=C(c1ccc(F)cc1)C1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 447722844 LPIUQABULZCUET-UHFFFAOYSA-N 434.851 4.278 5 20 IIBD CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H](C)c1cccc(O)c1 460690045 GMQYISBIXZKFIL-MRXNPFEDSA-N 425.489 4.183 5 20 IIBD CCCN(Cc1ccc(F)cc1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 461573568 HKVKKHRAKOJSEA-GOSISDBHSA-N 439.491 4.446 5 20 IIBD CC(C)(c1ccccc1)c1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1C[C@H]1CCOC1 461586643 DXSYRRQORKFTNS-GOSISDBHSA-N 447.539 4.111 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 462420444 FUHMLROJWUMPAD-MRXNPFEDSA-N 440.525 4.249 5 20 IIBD Cc1nc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)ccc1-c1ccccc1 464665720 SSJDCIMGJBLAJG-UHFFFAOYSA-N 446.492 4.497 5 20 IIBD CCOc1cccc(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1OC(F)F 465002663 JZLFHMLVPFSEJJ-UHFFFAOYSA-N 449.454 4.128 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NC[C@@H]2CCN(CC(C)C)C2)c([N+](=O)[O-])c1 465057810 VYMPHWZFZYWPFX-KRWDZBQOSA-N 439.512 4.002 5 20 IIBD C[C@H](CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Oc1ccccc1Cl 466176584 OHPHQCIVKZAKGC-OAHLLOKOSA-N 433.892 4.269 5 20 IIBD C[C@H](NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)C(=O)N1Cc2ccccc2C1 467899119 LVRWQIXUHXSFKX-INIZCTEOSA-N 447.516 4.407 5 20 IIBD Cc1c(C(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)cccc1[N+](=O)[O-] 468738198 KTCNOTNMAXKXFA-UHFFFAOYSA-N 432.274 4.154 5 20 IIBD CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1ccc([N+](=O)[O-])cc1I 470118153 UQKFKPAQERQDGL-NSHDSACASA-N 442.175 4.002 5 20 IIBD CNC(=O)CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CC1 470270062 FJTKDSCJORCMDU-UHFFFAOYSA-N 447.944 4.388 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 470935307 WTTRYTPRFXWAFQ-UHFFFAOYSA-N 449.866 4.277 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccccc1SC 471315076 PLMWEZNTEGBAAE-UHFFFAOYSA-N 434.539 4.244 5 20 IIBD C[C@@H](CCCc1ccccc1)C(=O)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 478085817 IUXSKPKRQKBPID-SFHVURJKSA-N 435.528 4.169 5 20 IIBD COc1cc(CNc2ccc3c(c2)CN(C)C(=O)N3)c([N+](=O)[O-])cc1OCC(F)(F)F 479425796 UKXWNQCYSIUVQR-UHFFFAOYSA-N 440.378 4.134 5 20 IIBD O=C(NCCCOc1ccc(C(F)(F)F)cn1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 479798524 YKHJNOMTDGJFMR-UHFFFAOYSA-N 438.406 4.152 5 20 IIBD CC[C@H](C)CN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 480179843 LPZWDDIOQOCSNM-HNNXBMFYSA-N 433.530 4.212 5 20 IIBD O=C(c1cc(N2CCC[C@H](OCc3ccccc3F)C2)ccc1[N+](=O)[O-])N1CCCC1 480379255 UYWCAFLAGCLOAZ-IBGZPJMESA-N 427.476 4.156 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccc(-c3cccc(F)c3F)o2)CC1 483267900 DKCVTVOXCJJLOR-UHFFFAOYSA-N 427.407 4.091 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1F 485123273 RIDYFUQGQJPCJT-UHFFFAOYSA-N 443.172 4.316 5 20 IIBD O=C(O)[C@H]1CC12CCN(C(=O)c1ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c1)CC2 485445366 KWTFSEIBFFVJMA-MRXNPFEDSA-N 443.887 4.187 5 20 IIBD Cc1cccc(N2CCC(NC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])CC2)n1 485484968 BCSVJOUJDFMBAN-UHFFFAOYSA-N 446.507 4.276 5 20 IIBD CC[C@@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])Oc1ccccc1C 488622707 CDJQBBBGXSPPQX-AWEZNQCLSA-N 426.391 4.432 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@H](Oc2ccccc2Cl)C1 489038490 QJEVPCNSFQDYLQ-HNNXBMFYSA-N 426.860 4.118 5 20 IIBD CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 489958469 PLQOTZQFDMOXAU-UHFFFAOYSA-N 432.440 4.212 5 20 IIBD CCOc1cc(C(=O)N[C@H](C)c2nc3ccccc3n2C(C)C)c([N+](=O)[O-])cc1OC 495495992 ACCMIMBHVLWXCI-CQSZACIVSA-N 426.473 4.424 5 20 IIBD CCOC(=O)c1cc(C(=O)NCc2cccc(OC)c2OC2CCCC2)cc([N+](=O)[O-])c1 499214339 WILSSHBQQVWVSS-UHFFFAOYSA-N 442.468 4.032 5 20 IIBD Cc1ccc([C@H](C)N(C)C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c(C)c1 499269891 FOLIDZFHPYDCOK-HNNXBMFYSA-N 425.514 4.325 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@H]3CC(C)C)cc2)cc1[N+](=O)[O-] 500176242 DSMRFEXORNSJDZ-IBGZPJMESA-N 445.541 4.355 5 20 IIBD COc1ccc(Cn2cc(NC(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)cn2)cc1 503536297 DKSIROMOGNHQFW-UHFFFAOYSA-N 449.389 4.189 5 20 IIBD Cc1c(C(=O)N(C)[C@@H](C)c2ccccc2Br)nnn1-c1cccc([N+](=O)[O-])c1 503654016 INTDYGYROVULNH-LBPRGKRZSA-N 444.289 4.080 5 20 IIBD O=c1c2ccccc2nc(SCc2c(F)cc([N+](=O)[O-])cc2F)n1Cc1cccnc1 505488424 UWAYUJTXVOLERS-UHFFFAOYSA-N 440.431 4.319 5 20 IIBD C[C@H]1CCCCN1C[C@@H]1CCCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 505936366 UNKVYVNJOXJOGL-HOTGVXAUSA-N 443.466 4.263 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 505953074 LOBSALAGSWOTSA-IBGZPJMESA-N 443.525 4.144 5 20 IIBD COc1ccc(-c2nc(C)c([C@H](C)NS(=O)(=O)c3ccc(C)cc3[N+](=O)[O-])s2)cc1 506255223 QMLOZGNCYCDYDU-AWEZNQCLSA-N 447.538 4.383 5 20 IIBD CCOc1ccc(C(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)cc1[N+](=O)[O-] 509328183 PWVSBFWHEIJBBL-UHFFFAOYSA-N 433.464 4.218 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)NC1CCN(Cc2ccc(F)cc2)CC1 510861047 MVHMHRKCJMJTQL-UHFFFAOYSA-N 438.406 4.121 5 20 IIBD CCOc1cc(NC(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)c([N+](=O)[O-])cc1OCC 513953393 NVGDGDUGTRICJU-GOSISDBHSA-N 446.504 4.252 5 20 IIBD COc1c(Cl)cc(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1Cl 513977907 BFWLMGLJKSCBKV-UHFFFAOYSA-N 425.272 4.264 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(NCc3cccc(NC(=O)c4cccc(F)c4)c3)cc2N1 515501813 MFGWDXQXZCIQOP-UHFFFAOYSA-N 434.427 4.483 5 20 IIBD O=C(Cn1nccc1[N+](=O)[O-])Nc1ccc(Sc2ccc(Br)cc2)cc1 515840633 QORVWOKIIYYZHJ-UHFFFAOYSA-N 433.287 4.344 5 20 IIBD Cc1ccc(C(=O)C2CCN(C(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CC2)c(C)c1 516166706 QUEYFFYVORPMKX-UHFFFAOYSA-N 446.507 4.347 5 20 IIBD Cn1cc(C(=O)Nc2nnc(-c3ccccc3Cl)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 516626791 ICUWNDIFZNYXID-UHFFFAOYSA-N 440.872 4.420 5 20 IIBD C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 516756352 VLNFSFICNSBCPP-SNVBAGLBSA-N 431.297 4.138 5 20 IIBD COc1ccc(-c2nc(Cc3noc(CCCNc4ccc([N+](=O)[O-])cc4)n3)co2)cc1 518853084 FIGBDHFGJYNJAM-UHFFFAOYSA-N 435.440 4.277 5 20 IIBD COc1cc(F)cc2sc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)nc12 520468136 UOPGVEDUQHXYOP-UHFFFAOYSA-N 430.461 4.207 5 20 IIBD Cc1cc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])n(-c2ccccc2F)n1 520646423 XUVJZRKDWYXMCA-UHFFFAOYSA-N 438.337 4.421 5 20 IIBD Cc1nc(-c2ccc([C@@H](C)NC(=O)NCCOc3ccc([N+](=O)[O-])cc3)cc2)cs1 520999272 XBWNCUZPMFFOBW-CQSZACIVSA-N 426.498 4.466 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCC1(c2ccccc2Cl)CCOCC1 521580754 ABSPBNIYOGSQPI-UHFFFAOYSA-N 431.920 4.305 5 20 IIBD COc1cc([C@@H](C)NC(=O)CNc2ccccc2[N+](=O)[O-])ccc1OCc1ccccc1 521593058 FAQWTAMXCYKAQL-QGZVFWFLSA-N 435.480 4.472 5 20 IIBD COc1ccc(CC(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)cc1[N+](=O)[O-] 521857922 HFFCPGOIPMZORE-UHFFFAOYSA-N 432.436 4.011 5 20 IIBD COc1cc(C(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)c([N+](=O)[O-])cc1OC 522641785 AEHDRNDKIBYWIR-WJOKGBTCSA-N 446.525 4.446 5 20 IIBD COc1ccc(CN2CC[C@@H](Nc3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])C2=O)cc1 523752310 UCZCLZXSHMDGGM-JOCHJYFZSA-N 445.475 4.047 5 20 IIBD CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 531650183 RXRCSBFIDLGMEH-HNNXBMFYSA-N 430.530 4.438 5 20 IIBD C[C@H](Nc1ccc(C(=O)N(C)[C@H](CCO)c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 532022161 VPPWZWUNOCMTMM-HTAPYJJXSA-N 434.496 4.359 5 20 IIBD O=C(Nc1sc2c(c1C(=O)c1ccccc1)CCC2)c1cc2c(cc1[N+](=O)[O-])OCO2 535207524 QLZOLQUNLMTUAK-UHFFFAOYSA-N 436.445 4.357 5 20 IIBD C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 535394495 DNFNUZSQOFLTFP-VIFPVBQESA-N 430.675 4.241 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2cnc(C)o2)cc1 536469959 UKORQRVNJTZIOE-UHFFFAOYSA-N 441.465 4.466 5 20 IIBD COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cc1N1CCCC1=O 539297336 RBGDMFIQMMBLQG-UHFFFAOYSA-N 429.498 4.483 5 20 IIBD Cc1c([C@H](C)NCCc2cccc([N+](=O)[O-])c2)nnn1-c1cccc(Br)c1 540153522 FXUKZCLMDCKMHL-ZDUSSCGKSA-N 430.306 4.140 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Cc1csc(Cc2cccc(Cl)c2)n1 541334409 YMLSGOYHDMMRLQ-UHFFFAOYSA-N 431.901 4.163 5 20 IIBD O=[N+]([O-])c1ccc(NCCCc2nc(Cc3cc(Cl)c4c(c3)OCCO4)no2)cc1 546299750 WPQZLGZFSSGCLH-UHFFFAOYSA-N 430.848 4.038 5 20 IIBD CC(C)CC(=O)Nc1ccc(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)cc1F 546384377 PPHBQEYTUFZUJZ-UHFFFAOYSA-N 427.436 4.423 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc(-c4ncn(C)n4)cc3)cc2[N+](=O)[O-])C1 547259399 HVGLGTNUPYLYCT-HOTGVXAUSA-N 434.500 4.125 5 20 IIBD C[C@@H](CC(C)(C)c1c[nH]c2ccccc12)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 550901481 IJUAEXOUQHLPIM-INIZCTEOSA-N 429.542 4.196 5 20 IIBD O=[N+]([O-])c1cccc(OCc2nc(Cc3c(F)ccc(Br)c3F)no2)c1 551071331 KFDFGAWJEWQZJK-UHFFFAOYSA-N 426.173 4.188 5 20 IIBD CC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)ccc1F 552286564 RVQMECDJTKQXBQ-UHFFFAOYSA-N 442.184 4.102 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 555862445 PBZXZYTWIBYMCN-QDXKXIGTSA-N 439.331 4.236 5 20 IIBD COc1ccc(Cc2nc(Cc3c(F)ccc(Br)c3F)no2)cc1[N+](=O)[O-] 559986288 OWICMOFFCCYFOV-UHFFFAOYSA-N 440.200 4.209 5 20 IIBD COc1cc(C(=O)Nc2cccc3ocnc23)c([N+](=O)[O-])cc1OCc1cscn1 560115968 GFHDENDDLUIQFM-UHFFFAOYSA-N 426.410 4.032 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](c1c(Cl)cccc1Cl)C1CC1 562150742 BKQDQGHNTROYQK-QGZVFWFLSA-N 438.267 4.116 5 20 IIBD CC(C)(c1nc(Cc2ccc(OCC(F)(F)F)nc2)no1)c1ccc([N+](=O)[O-])cc1F 577680466 CRZGKQKQOQQXFY-UHFFFAOYSA-N 440.353 4.370 5 20 IIBD COC(=O)c1cc(C(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)cc([N+](=O)[O-])c1 603458530 PAYMUEKBBFVCMY-UHFFFAOYSA-N 436.468 4.176 5 20 IIBD COc1cc(C(=O)N[C@@H](C)Cn2cccn2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 603634142 GJFDJSBWZMVHEZ-ZDUSSCGKSA-N 430.848 4.064 5 20 IIBD CCCC(=O)NC1CCN(C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)CC1 603671246 NCSSDDOOSOKRHK-UHFFFAOYSA-N 448.570 4.032 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC(CN2CCCCCC2)CC1 603829835 VRBPFTADVQHMLY-UHFFFAOYSA-N 426.464 4.316 5 20 IIBD CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1ccc([N+](=O)[O-])cc1F 603929980 XHWGFDRXWNKLPA-UHFFFAOYSA-N 433.745 4.117 5 20 IIBD COc1ccccc1[C@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)N1CCCCC1 604097423 KWLSBWBYVQXQNG-UWJYYQICSA-N 426.517 4.191 5 20 IIBD COc1cc(C(=O)NCC2(c3ccc(Br)cc3)CCC2)c([N+](=O)[O-])cc1OC 604200979 VGAFXQYOSMQWPA-UHFFFAOYSA-N 449.301 4.226 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C 604465571 YUPNHJHYGFVBNZ-INIZCTEOSA-N 431.514 4.027 5 20 IIBD O=[N+]([O-])c1cccc(N2CCN(Cc3nnc(-c4c(Cl)cccc4Cl)o3)CC2)c1 608832449 TXEWMFSTQXJBEA-UHFFFAOYSA-N 434.283 4.274 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(c2nc(-c3ccccn3)no2)CC1 608838089 BDPJTXFRRNVOHL-UHFFFAOYSA-N 428.836 4.105 5 20 IIBD COc1cc(OCC(=O)NCC(C)(C)c2c(Cl)cccc2Cl)ccc1[N+](=O)[O-] 609186488 SPRVGTYTNRPSRG-UHFFFAOYSA-N 427.284 4.383 5 20 IIBD CN(C)C(=O)COc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1Cl 609652305 MBWIMCUSPNVGOW-UHFFFAOYSA-N 433.873 4.182 5 20 IIBD Cc1ccccc1C1(CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCOCC1 610105308 RYVGSEXERNZKQW-UHFFFAOYSA-N 425.529 4.274 5 20 IIBD O=C(NC[C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(Br)cc1[N+](=O)[O-] 610571845 BDLJUHKAFBGYSE-GFCCVEGCSA-N 438.709 4.267 5 20 IIBD O=C(CC1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1)NC1CCCC1 619527076 AZEBHBXQRPQVRM-UHFFFAOYSA-N 426.492 4.461 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC(C(=O)OC(C)(C)C)CC2)CC1 727490146 YJVYPPGQGOURKE-UHFFFAOYSA-N 431.533 4.025 5 20 IIBD O=[N+]([O-])c1cc2c(cc1S(=O)(=O)Oc1cc(Cl)c(Cl)cc1Cl)OCCO2 728290019 FHMWUFYXOLOSQS-UHFFFAOYSA-N 440.644 4.094 5 20 IIBD Cc1cc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)ccc1F 728692916 TWXVLHGRXIJVLV-UHFFFAOYSA-N 426.370 4.415 5 20 IIBD O=C(Nc1ccc2[nH]ccc2c1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 729039698 QNMXFIGGXAIGBW-UHFFFAOYSA-N 433.390 4.449 5 20 IIBD COc1ccc(C(=O)COC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1Br 730643383 AVTXQVZEAFTZNU-UHFFFAOYSA-N 428.622 4.059 5 20 IIBD O=C(c1cccc(Cl)c1Cl)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 731206598 NHRCZXZQFDRQHX-UHFFFAOYSA-N 437.308 4.474 5 20 IIBD O=c1ccccn1Cc1noc(-c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)n1 731790985 FLDPVUFEYZLANN-UHFFFAOYSA-N 437.843 4.120 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1SC 733057521 VFBNWBVNXLQQCL-ZDUSSCGKSA-N 440.518 4.129 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](OC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)c1ccccc1 733836731 PAOBOHWEAKTJNR-OHDICMOHSA-N 430.844 4.039 5 20 IIBD COC(=O)[C@H](OC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(Cl)c1 735149335 RNPAFGFIULACHJ-QGZVFWFLSA-N 428.224 4.128 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(C(=O)OCc2ccc(C(N)=O)cc2[N+](=O)[O-])c(Cl)c1 741054499 USTNHMOBGXOXMS-UHFFFAOYSA-N 449.847 4.051 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2cccc(NC(=O)c3ccccc3)c2C)cc1[N+](=O)[O-] 742027439 DXKXXGMNSDGLIG-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD COC(=O)[C@H](OC(=O)CCOc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 744732496 UNNCDRQJCNVQLV-QGZVFWFLSA-N 428.224 4.128 5 20 IIBD C[C@@H](Nc1ccc(C(=O)OCCc2ccc3c(c2)CCO3)cc1[N+](=O)[O-])c1ccccn1 744842696 OOXCJHJGULXTFT-MRXNPFEDSA-N 433.464 4.497 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)OCc1nc(O)c2c(-c3ccccc3)csc2n1 746439574 NBBPRBPUNSIMRC-UHFFFAOYSA-N 437.433 4.094 5 20 IIBD O=C(CCCn1ccnc1)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 748604426 HXFAXPAXHABASC-UHFFFAOYSA-N 428.832 4.083 5 20 IIBD CN(CCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1ccccc1 749410294 LFOZLFSSGXNOKR-UHFFFAOYSA-N 426.698 4.267 5 20 IIBD C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 750834511 PTEMRCZYAHEIIQ-MRXNPFEDSA-N 446.548 4.033 5 20 IIBD CSc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 750967374 ZSLJVSCGBMGEGU-JTQLQIEISA-N 439.287 4.263 5 20 IIBD C[C@@H](C(=O)Oc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1F 754139155 DJKVFLIJBLFYSM-CQSZACIVSA-N 429.425 4.276 5 20 IIBD COC(=O)CC1CCC(OC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 754564009 ZFRWKASKPFEKOP-KLHKWILBSA-N 441.484 4.442 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H]2CC3(CCC3)Oc3ccccc32)cc1[N+](=O)[O-] 757811596 BNUPZVJUCJMUHB-QGZVFWFLSA-N 428.510 4.399 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(N2CCO[C@H](c3cccc(OC(F)F)c3)C2)cc1Cl 758281565 YZKGPWYSEYTQEZ-KRWDZBQOSA-N 442.802 4.214 5 20 IIBD CCOC(=O)c1sc(NC(=O)c2cccc([N+](=O)[O-])c2Br)nc1C(C)C 758881041 OHOZAKAWDIMCPP-UHFFFAOYSA-N 442.291 4.366 5 20 IIBD O=C(Oc1cc(Cl)cnc1Br)c1cccc([N+](=O)[O-])c1Br 759027023 MCOWTNDZDXVPRZ-UHFFFAOYSA-N 436.443 4.387 5 20 IIBD O=C(COC(=O)CCCc1cccc(Br)c1)Nc1cc([N+](=O)[O-])ccc1F 761424333 RPVXQCOSCSUZFW-UHFFFAOYSA-N 439.237 4.001 5 20 IIBD CC(C)[C@H](NC(=O)OC(C)(C)C)c1noc(-c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)n1 762026285 MNSQPJWYLCXLHV-INIZCTEOSA-N 428.449 4.052 5 20 IIBD Cn1cnnc1Sc1ccc(-c2nc(Cc3cccc(F)c3Cl)no2)cc1[N+](=O)[O-] 762136889 ZUXKTKXPCSCCMC-UHFFFAOYSA-N 446.851 4.308 5 20 IIBD CN1CC[C@@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 762736321 TYNXYGMDNWQVCZ-KPZWWZAWSA-N 426.275 4.464 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1cc(OC)c(OC)cc1Cl 763815512 UWOJMSOZZPYOSG-UHFFFAOYSA-N 439.873 4.417 5 20 IIBD Cc1cc(-c2noc([C@@H](C)OC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)n2)ccc1F 763878333 ZOJQATCPSJNWRJ-CYBMUJFWSA-N 437.387 4.196 5 20 IIBD C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c1 764196261 DAMLJZXJARWLJF-ZDUSSCGKSA-N 448.882 4.453 5 20 IIBD C[C@H](OC(=O)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F)c1ccccc1[N+](=O)[O-] 764589324 YTGPAQJEISURRJ-SUMWQHHRSA-N 434.395 4.105 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2C[C@@H](C)O[C@H](c3ccsc3)C2)c1=S 765081575 NEAMEHSOVVEXSH-KDOFPFPSSA-N 445.570 4.490 5 20 IIBD CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@H]1C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1 766197954 HLTAMIJXWQGCJZ-LHSJRXKWSA-N 433.461 4.253 5 20 IIBD COC(=O)c1coc([C@H](C)OC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 766981311 BLCLXVQHLPVWMR-KBPBESRZSA-N 439.424 4.461 5 20 IIBD Cn1ccnc1[C@H](NC[C@@H](O)c1ccc(-c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 768534799 PBHIHQREQGIBQZ-DNQXCXABSA-N 428.492 4.408 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 769423747 GVOXOQYFHUISLW-KBPBESRZSA-N 429.464 4.321 5 20 IIBD O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)ccc1Br 769636484 VZICUJOECJLCIT-UHFFFAOYSA-N 443.172 4.316 5 20 IIBD COc1cc(C2SCCS2)ccc1OS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 769750892 BELVTSMDZPAXOH-UHFFFAOYSA-N 441.552 4.033 5 20 IIBD CCCn1c(SCC(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nc2ccccc21 770411553 CVKKGTAVPCLTJE-CQSZACIVSA-N 442.497 4.017 5 20 IIBD O=C(NC[C@@H](O)c1cccc(C(F)(F)F)c1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 771767997 MGVQAULKSQDOAR-CQSZACIVSA-N 437.296 4.488 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CNC[C@H]2COC3(CCOCC3)O2)cc1 776957527 ZZCNGWCWVFMLJD-SFHVURJKSA-N 434.876 4.052 5 20 IIBD CC[C@@H](OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)c1ccc(NC(C)=O)cc1 781259226 AXDVRQQEDZVALZ-HSZRJFAPSA-N 442.471 4.458 5 20 IIBD COc1ccc(-c2noc([C@@H](C)OC(=O)c3ccc([N+](=O)[O-])cc3Br)n2)cc1 783764112 KKFHNNPNFWGPPC-SNVBAGLBSA-N 448.229 4.334 5 20 IIBD COc1ccc(-c2noc([C@H](C)OC(=O)c3ccc(Br)cc3[N+](=O)[O-])n2)cc1 784045512 PHXQDTAUXXKYID-JTQLQIEISA-N 448.229 4.334 5 20 IIBD Cc1nccn1-c1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cn1 784845674 RGTFOMSEERLKNV-UHFFFAOYSA-N 429.436 4.315 5 20 IIBD Cc1cnc(COC(=O)CSCc2ccc(Br)cc2)c(C)c1[N+](=O)[O-] 789444786 LWZNMQCDCRNRBS-UHFFFAOYSA-N 425.304 4.346 5 20 IIBD Cc1cnc(COC(=O)[C@@H](C)Oc2ccc(F)cc2Br)c(C)c1[N+](=O)[O-] 789446344 OMXGYDXGYDBNOE-LLVKDONJSA-N 427.226 4.019 5 20 IIBD O=[N+]([O-])c1ccc(CNc2cccc(CS(=O)(=O)c3ccccc3)c2)c([N+](=O)[O-])c1 789672241 LNKWBYPTBXMMLR-UHFFFAOYSA-N 427.438 4.089 5 20 IIBD CC[C@H](C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)c1ccc(OC)cc1 791245782 FNSSKKQGWJJRAY-HNNXBMFYSA-N 433.302 4.444 5 20 IIBD COc1cc(C(=O)OCC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc([N+](=O)[O-])c1C 791688266 NDCQDSGPDGJMLX-AWEZNQCLSA-N 426.425 4.034 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Oc2ccccc2CNC(=O)OC(C)(C)C)c1C 795982599 CEWSTUBUFMPVEK-UHFFFAOYSA-N 436.486 4.004 5 20 IIBD COc1cc(N2CCC(OC(=O)C3CC(c4ccc(F)cc4)C3)CC2)ccc1[N+](=O)[O-] 796909282 PTRARKHHWZGUGD-UHFFFAOYSA-N 428.460 4.448 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)c1 798341697 VGIIFRKBIQVMHK-QGZVFWFLSA-N 427.284 4.219 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 801971684 OLTGRCUFCJNWHH-UHFFFAOYSA-N 438.131 4.230 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2-c2nc(-c3ccc(-n4cccn4)nc3)no2)CC1 809269670 XIDJOBDGHSJPPC-UHFFFAOYSA-N 431.456 4.129 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CSCc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 811808560 AYPIMKJPCXDZLI-SHTZXODSSA-N 437.562 4.258 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1ccccc1 813658865 ATPKMYYTBLPCGF-SFHVURJKSA-N 442.516 4.395 5 20 IIBD Cc1c(C(=O)N2CCC[C@@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cccc1[N+](=O)[O-] 814428000 IROLBLDLTVFMCY-QZTJIDSGSA-N 431.533 4.403 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccc3c(c2)OCCN3C)cc1[N+](=O)[O-])c1ccccn1 816503968 TVOJUJRIPZWIAX-OAHLLOKOSA-N 433.468 4.244 5 20 IIBD CN(C)c1cc(F)c(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccc[nH]2)cc1[N+](=O)[O-] 821676441 VDZQIVDBVSQAII-UHFFFAOYSA-N 430.823 4.265 5 20 IIBD Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c(C)c1 846287157 UEIJSEVTPDKKMJ-KRWDZBQOSA-N 425.485 4.304 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)n2)c1 904633636 GBKMBAVYWYQHFW-UHFFFAOYSA-N 426.385 4.388 5 20 IIBD CC(C)N(C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 918167466 CLPPXFUDPXSLCZ-UHFFFAOYSA-N 440.477 4.418 5 20 IIBD O=C(COC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 919369438 KADHNUVAPRZNMZ-UWVGGRQHSA-N 442.312 4.464 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1 919524485 VJRQLBKSWAGIHS-UHFFFAOYSA-N 437.330 4.079 5 20 IIBD COC(=O)c1cccc(COC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 920548823 UGMBMMUVGXQWRT-OAHLLOKOSA-N 435.436 4.307 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)o1 1117207437 GYPURPGSOINQFI-CQSZACIVSA-N 430.465 4.046 5 20 IIBD COC(=O)c1cc(NC(=O)N2CC(Cc3c(F)cccc3Cl)C2)c(C)c([N+](=O)[O-])c1 1255756931 RTRAAGNHJKHPMR-UHFFFAOYSA-N 435.839 4.189 5 20 IIBD Cn1cc(/C=C2\C(=O)Nc3ccc(Br)cc32)c(-c2ccc([N+](=O)[O-])cc2)n1 1322089321 OBMYHKDCYAHSPZ-PXNMLYILSA-N 425.242 4.251 5 20 IIBD C[C@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1OC(F)F 1324697652 DNSGKKXGGTVQSL-NSHDSACASA-N 434.374 4.227 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@@]3(F)CCCC=C3F)CCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 1790188314 DLIXETHTXAAJAV-JOCHJYFZSA-N 444.438 4.416 5 20 IIBD O=C(NC1(c2ccc(NC(=O)C(F)(F)Cl)cc2)CCC1)c1cccc(F)c1[N+](=O)[O-] 1791723571 YWNDLPPEYZHZMJ-UHFFFAOYSA-N 441.793 4.313 5 20 IIBD Cc1cccc(Cl)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc([N+](=O)[O-])o1 1793276919 KBQYKKNDUFUTKU-SSCFBFAFSA-N 443.887 4.115 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1cc([C@@H]2CCCCN2C(=O)C2CCCCC2)[nH]n1 1814966914 XNAHCNGCQAYABV-CKDFRHGISA-N 441.488 4.197 5 20 IIBD CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n[nH]1 1821609591 HNBLCCPIXYDJBQ-OAHLLOKOSA-N 427.486 4.249 5 20 IIBD O=C(C1CCCCC1)N1CC2(CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 1845738603 DCMJDQQSJIPHDH-UHFFFAOYSA-N 427.526 4.207 5 20 IIBD CC[C@H]1CC[C@H](C(=O)N2CC3(CCCN3C(=O)CSc3ccccc3[N+](=O)[O-])C2)CC1 1846303743 MGIWSAIVBOMJPM-IYARVYRRSA-N 445.585 4.107 5 20 IIBD C[C@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 9352451 GKLHRSQIBDTZMY-NSHDSACASA-N 428.388 4.276 5 20 IIBD C[C@@H](OC(=O)c1ccc(Br)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 9605580 RSCSUMYZZHLBMU-SSDOTTSWSA-N 433.667 4.256 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1[N+](=O)[O-] 9891378 GCLYJLISISYNQG-UHFFFAOYSA-N 432.742 4.017 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 11549640 VXOJJYPAPHYLBH-LBPRGKRZSA-N 444.900 4.053 5 20 IIBD CCN(CC)Cc1ccc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 14899742 CCYPDZHHVKTJSX-UHFFFAOYSA-N 427.548 4.313 5 20 IIBD COc1ccc(CNC(=O)CNc2cc([N+](=O)[O-])ccc2Nc2ccccc2)cc1OC 15127913 CBWJCEUGCCWHHN-UHFFFAOYSA-N 436.468 4.084 5 20 IIBD COc1ccc2cc(CN(C)C(=O)[C@H](C)OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)ccc2c1 22551488 PWFMWBZMNJMFAU-BNXPMYBGSA-N 448.475 4.360 5 20 IIBD COc1cc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc1OCc1cccnc1 27174121 VDXJROOGAAGWJY-UHFFFAOYSA-N 427.844 4.161 5 20 IIBD C[C@H](N[C@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 28347030 MQJKBASZJJUEDG-OLZOCXBDSA-N 430.892 4.275 5 20 IIBD CC(C)c1noc(COC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n1 29143568 XDRKGRDTZUVEDA-UHFFFAOYSA-N 447.451 4.240 5 20 IIBD Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)Nc1ccccc1F 29916875 JLUOLVURCXAXGO-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCCc2cc(OC(F)(F)F)ccc21 30360673 IICTULIKSKSLKG-UHFFFAOYSA-N 436.795 4.288 5 20 IIBD COCCOc1ccc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 64878150 UHAGQUXBRWLAMH-MRXNPFEDSA-N 436.468 4.440 5 20 IIBD Cc1nc2ccccc2c2c(NC(=O)[C@H]3CC(=O)N(Cc4ccccn4)C3)c3ccccc3n12 71938378 BETHSWYHXVFBBO-SFHVURJKSA-N 449.514 4.331 5 20 IIBD O=C(COc1c(Br)cccc1Br)Nc1cc([N+](=O)[O-])ccc1F 72042628 UKZBXINMKQEEIQ-UHFFFAOYSA-N 448.042 4.276 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)O)cc1 238043525 DPIOBQLUVCEWSJ-UHFFFAOYSA-N 442.431 4.327 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 301413776 ZLVMCJJBHFWZJS-MRXNPFEDSA-N 448.882 4.420 5 20 IIBD Cc1cccc(C)c1NC(=O)CN1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 301894091 WQIPOLRNOSXRLO-UHFFFAOYSA-N 445.523 4.034 5 20 IIBD CN1CCO[C@H]([C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)c2ccc(Cl)cc2)C1 301971908 GVEOLMMLNBLZCN-ROUUACIJSA-N 427.835 4.333 5 20 IIBD CNC(=O)c1ccc(NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)c([N+](=O)[O-])c1 302140644 JDZHRGPLRVHZGT-UHFFFAOYSA-N 437.327 4.338 5 20 IIBD CC1CCC(C)(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 303163453 XQAZSCAACULTNZ-UHFFFAOYSA-N 431.514 4.094 5 20 IIBD Cc1c([C@@H](NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C(C)C)oc2ccccc12 303448929 JWFHIBQFYDLXGG-IBGZPJMESA-N 430.482 4.180 5 20 IIBD COC(=O)[C@@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccc(C)cc1 426385949 SUCQCNJUUIGEPT-QFIPXVFZSA-N 448.475 4.169 5 20 IIBD COc1ccc(NC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)cc1NC(N)=O 427941457 PAZFKJQUUDFOON-UHFFFAOYSA-N 432.502 4.485 5 20 IIBD COCCOc1ccc(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)cc1 428243844 HURAAFKJWDADRO-UHFFFAOYSA-N 427.482 4.233 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CCC2(CCN(Cc3ccccc3)CC2)C1 431456754 JQVNGJHMMCMKND-UHFFFAOYSA-N 442.947 4.446 5 20 IIBD Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436424959 KNBRMVKEIMTAMB-IBGZPJMESA-N 436.462 4.287 5 20 IIBD Cc1ccc(C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)c(O)c1 436518934 UATKEOMBQBBPHO-UHFFFAOYSA-N 437.521 4.295 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)Nc2nc3c(s2)C[C@H](C)CC3)cc1[N+](=O)[O-] 438790654 IGTPVDDJRPTDQD-MRVPVSSYSA-N 446.348 4.048 5 20 IIBD CC(C)c1ccc(C(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)cc1[N+](=O)[O-] 438976080 RXYIITJYRCJUQT-GOSISDBHSA-N 426.473 4.271 5 20 IIBD CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 440531466 JBRDEXMEPIRGDH-UHFFFAOYSA-N 440.525 4.212 5 20 IIBD Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1OCC(F)F 446161971 OSSNVKLUFZJATJ-UHFFFAOYSA-N 429.217 4.491 5 20 IIBD CCc1[nH]nc(C(=O)N2CCC[C@@H](c3nc(-c4ccccc4OC)cs3)C2)c1[N+](=O)[O-] 446791556 UQCSFVHJQVKGIQ-CYBMUJFWSA-N 441.513 4.032 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N2CCn3c(cc4ccc(Cl)cc43)C2)c([N+](=O)[O-])c1 447387893 VIXWSNKBACAFPJ-ZDUSSCGKSA-N 428.876 4.054 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCc1ccc(COCC(F)(F)F)cc1 447811493 FVMCOGSDMHSCRK-UHFFFAOYSA-N 439.434 4.118 5 20 IIBD CCc1c(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])cnn1-c1ccc(C(F)(F)F)cc1 447885580 IJTCKVBYYLJKHD-UHFFFAOYSA-N 433.390 4.073 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)NC(C)(C)COc2ncccc2Br)c1 448396524 RKZRAFIZOFUGMP-UHFFFAOYSA-N 440.319 4.062 5 20 IIBD CCN(c1ccccc1)c1ccc(CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1 460574265 DZCSMJXILDCMGY-UHFFFAOYSA-N 442.479 4.264 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCOC1 461550699 LHDGOZJUUJXURC-QGZVFWFLSA-N 441.919 4.222 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[C@H]1Cc1ccc(F)cc1 462188810 LHAIYKLBFHHJHQ-AWEZNQCLSA-N 433.288 4.437 5 20 IIBD C[C@@H](c1ccc(-n2cncn2)cc1)N(C)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 462442364 SPTYKZRQVLWRNB-KRWDZBQOSA-N 430.468 4.347 5 20 IIBD CC[C@@H]1CN(C(=O)c2cc(OC)c(OCCOC)cc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 470011019 FKDSIMRPMOQTBQ-MJGOQNOKSA-N 442.512 4.285 5 20 IIBD CN(Cc1ccc(Br)cc1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br 470950507 REVNTEFYJJPFQL-UHFFFAOYSA-N 442.107 4.321 5 20 IIBD O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@]2(C1)OCc1ccccc12 471615671 WAAHPYMDJTYQBH-RUZDIDTESA-N 429.476 4.479 5 20 IIBD COC(=O)COc1ccc(CN[C@H](C)c2sc(-c3ccccc3)nc2C)cc1[N+](=O)[O-] 474349831 PYEMHZROBGGZHA-CQSZACIVSA-N 441.509 4.429 5 20 IIBD Cc1nc(NC(=O)c2csc(-c3cc(Br)cs3)n2)ccc1[N+](=O)[O-] 475293158 ARLJJSXMXYWDQN-UHFFFAOYSA-N 425.289 4.498 5 20 IIBD O=C(N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1)C1(c2ccccc2)CCCC1 478098384 WAHORUKSYUZPGS-UHFFFAOYSA-N 433.512 4.022 5 20 IIBD COc1ccccc1C[C@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C(C)C 478383658 AEQLJDOFRSRUFN-QFIPXVFZSA-N 441.528 4.424 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1cc(Br)cs1 480495107 JYWQSLHBLHVYES-UHFFFAOYSA-N 445.360 4.430 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 481885963 JDRDXKZYQXUTEC-GOTSBHOMSA-N 448.567 4.322 5 20 IIBD O=C(c1sc(C2CC2)nc1-c1ccccc1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 482223673 OSJMYZXSQOTRST-INIZCTEOSA-N 435.509 4.317 5 20 IIBD COc1c(C(=O)Nc2c(-c3ccc(Br)cc3)nc(C)n2C)cccc1[N+](=O)[O-] 483634136 HXVITKYQEYTGOY-UHFFFAOYSA-N 445.273 4.327 5 20 IIBD CSc1cccc(N(C(=O)CCOc2ccccc2[N+](=O)[O-])C2CCN(C)CC2)c1 484285874 RSQNUYGPFNYVKL-UHFFFAOYSA-N 429.542 4.213 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)S(=O)(=O)Cc1nc(-c2cc(F)c(F)c(F)c2)no1 485243066 FQVATNKMSQCDAI-JTQLQIEISA-N 441.387 4.047 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 485445016 XPBLLRCAUGBMHM-HAQNSBGRSA-N 443.294 4.258 5 20 IIBD CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 485660997 YKEGUVLPLFJIRA-OAHLLOKOSA-N 427.501 4.408 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 488514674 NVTPMYDULLBWIP-CYBMUJFWSA-N 428.514 4.482 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)cc1[N+](=O)[O-] 489434296 VLNSECLPXGJDKT-MRXNPFEDSA-N 433.468 4.111 5 20 IIBD Cc1cc(Br)c2c(c1)CN(C(=O)Cc1c[nH]c3ccc([N+](=O)[O-])cc13)CC2 490055664 AXVXTTFKAGRKHU-UHFFFAOYSA-N 428.286 4.274 5 20 IIBD COc1cc(CN(CCO)[C@@H]2CCCc3ccccc32)c([N+](=O)[O-])cc1OCC(F)F 490370404 OAKUSJRFQXEHKI-GOSISDBHSA-N 436.455 4.119 5 20 IIBD CCOc1cc2c(cc1NC(=O)c1ccc(N3CCC(C)CC3)c([N+](=O)[O-])c1)OCCO2 490557476 PWKKGTSXEPBDHA-UHFFFAOYSA-N 441.484 4.253 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N(CCCO)[C@@H]1CCCc2ccccc21 498458709 XJQMQIHCXLLRHQ-HXUWFJFHSA-N 431.920 4.262 5 20 IIBD CCOc1ccc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)cc1[N+](=O)[O-] 498844133 MUEJFKADMPZGDZ-UHFFFAOYSA-N 431.246 4.194 5 20 IIBD CCOCCOc1ccc(Br)cc1NC(=O)c1cc(OC)ccc1[N+](=O)[O-] 498993567 CBIJZRZWNYTPIE-UHFFFAOYSA-N 439.262 4.034 5 20 IIBD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)CSc3ccccc3[N+](=O)[O-])ccc21 500137326 ASDIKICFSIJUIP-UHFFFAOYSA-N 440.525 4.149 5 20 IIBD CCCC[C@@H](NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(OC)cc1 503771223 PELXVXODFWTRLZ-HXUWFJFHSA-N 426.517 4.367 5 20 IIBD O=C(COc1c(Cl)cncc1[N+](=O)[O-])N1N=C(c2cccs2)C[C@H]1c1ccco1 506599264 GATFVAPOJKIXHN-ZDUSSCGKSA-N 432.845 4.054 5 20 IIBD O=C(c1ccc(Br)c(OC(F)(F)F)c1)N1CCc2cc([N+](=O)[O-])ccc21 509117725 NPXVTMHXKBYQII-UHFFFAOYSA-N 431.164 4.459 5 20 IIBD COc1ccc2[nH]cc(C3=CCN(Cc4nc(-c5cccc([N+](=O)[O-])c5)no4)CC3)c2c1 509553676 DOGNUKYDZQZCMG-UHFFFAOYSA-N 431.452 4.424 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCCc2cccc(OC(F)F)c21 511519921 CTVXPCFJFXWLCV-UHFFFAOYSA-N 431.439 4.392 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(N[C@@H]3CCN(Cc4ccc(C(F)(F)F)cc4)C3)cc2N1 511659816 XKGZBWRKPOCHGN-MRXNPFEDSA-N 434.418 4.185 5 20 IIBD C[C@@H](SCc1ccc([N+](=O)[O-])cc1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 513817079 AHBBWSYSADLVQN-LLVKDONJSA-N 439.415 4.221 5 20 IIBD O=C(Cc1ccccc1[N+](=O)[O-])NCCOc1ccc2cc(Br)ccc2c1 516336848 UKQGCIPRGORXCJ-UHFFFAOYSA-N 429.270 4.248 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 517909858 PWHBZJDIKNGHPJ-KRWDZBQOSA-N 444.340 4.017 5 20 IIBD CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 518633579 HAJNRUWXLHIPCZ-UHFFFAOYSA-N 446.403 4.058 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)NCCOc2ccc3cc(Br)ccc3c2)c1 518677709 NNDHYIYQGWZIJX-UHFFFAOYSA-N 445.269 4.328 5 20 IIBD O=C(CN1CC[C@@](F)(c2ccccc2F)C1)Nc1ccc([N+](=O)[O-])cc1Br 519587520 AVPDOSUEPXNAJF-SFHVURJKSA-N 440.244 4.006 5 20 IIBD CC(C)C[C@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N[C@@H](C)c1ccccc1 521379856 ACYGFKWPDMYBRZ-AZUAARDMSA-N 435.528 4.276 5 20 IIBD CS(=O)(=O)c1cc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CCCC2)cc([N+](=O)[O-])c1 521515110 PMAUDGZVZJFPOM-IBGZPJMESA-N 436.917 4.313 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(C(C)(C)C)ccc2O)ccc1[N+](=O)[O-] 530876589 ZKSBBYRFFXUKNB-IBGZPJMESA-N 425.485 4.150 5 20 IIBD Cc1c(NC(=O)CCN[C@H](C(=O)Nc2ccccc2)c2ccccc2)cccc1[N+](=O)[O-] 533350208 GUNBSAFTQNCVKG-QHCPKHFHSA-N 432.480 4.201 5 20 IIBD COc1cc(NC(=O)CCn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)c(OC)cc1Cl 533674845 HYQGOVBVHPXCCK-UHFFFAOYSA-N 430.848 4.158 5 20 IIBD Cc1cc(C)cc(-n2ccnc2S(=O)(=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1 534060411 AFNBUJOLJTXXJH-UHFFFAOYSA-N 438.465 4.026 5 20 IIBD Cc1cc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])nn1-c1cccc(F)c1 537333107 ARUCSYUQQJRUGC-UHFFFAOYSA-N 438.337 4.421 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 538005503 WIKSFHGUVXWTQZ-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD CCc1ccc(C(=O)N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)CC2)cc1 538194555 LSGZTKZEXGHBOM-UHFFFAOYSA-N 441.553 4.256 5 20 IIBD CC(=O)N(Cc1ccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1)C1CC1 544046697 TVTBEPLFBDAUIJ-UHFFFAOYSA-N 433.917 4.490 5 20 IIBD O=[N+]([O-])c1ccccc1Cc1noc(-c2cnn(-c3cccc(Br)c3)c2)n1 544914776 UDXRPDNHBDYHSX-UHFFFAOYSA-N 426.230 4.184 5 20 IIBD C[S@](=O)Cc1ccccc1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 545816933 FLTUCFBGSMBZJG-NDEPHWFRSA-N 432.445 4.223 5 20 IIBD O=C1N[C@]2(CCc3cc(Cl)ccc32)C(=O)N1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F 549374895 YUSHCPJJWQXCOP-SFHVURJKSA-N 439.777 4.161 5 20 IIBD O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 554030699 VTZYHUFKZQQSBI-UHFFFAOYSA-N 443.341 4.305 5 20 IIBD O=C(N[C@@H](c1noc(-c2cc(Br)cc([N+](=O)[O-])c2)n1)C1CC1)c1ccccc1 554845502 LPBJQYUAYYOCLS-MRXNPFEDSA-N 443.257 4.288 5 20 IIBD O=[N+]([O-])c1cc2c(c(-c3nc(-c4ccc5nc(-c6cscn6)[nH]c5c4)no3)c1)OCCO2 555249980 WVWIMVWETDVQDJ-UHFFFAOYSA-N 448.420 4.083 5 20 IIBD O=C(NCCO)c1ccc(NCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1 556337306 VRNXTQRBRQGPDG-UHFFFAOYSA-N 441.871 4.375 5 20 IIBD O=C(N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1c[nH]c2cccc([N+](=O)[O-])c12 557744801 ATGXKZAXJIDEJW-HXUWFJFHSA-N 433.386 4.227 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CN[C@@H](c2ccccc2)c2cccnc2)c1 558483642 XOFFLJKLLROYTA-IBGZPJMESA-N 445.260 4.474 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCOc3ccc(Br)cc3C2)cc1[N+](=O)[O-] 558770068 IMQVABGAFVJKAH-ZDUSSCGKSA-N 434.290 4.331 5 20 IIBD CN(C)C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(Cl)cc1 558974199 YNCYXBRMENMCMF-NRFANRHFSA-N 433.939 4.227 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(-c2ccc(N3CCCC3)cn2)no1 570550864 KMSHTYCWMLKAJC-UHFFFAOYSA-N 430.262 4.378 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 577328709 JIMCSIDQGICKEW-HXUWFJFHSA-N 432.908 4.006 5 20 IIBD CC[C@@H](C(=O)N1CCC(Nc2ncnc3sc([N+](=O)[O-])cc23)CC1)c1ccccc1 579153568 OGYBASJJDNQKQZ-MRXNPFEDSA-N 425.514 4.196 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1N1CCC(N(C)Cc2cccc(C(F)(F)F)c2)CC1 583283905 HLUJRZVDTIAOKY-UHFFFAOYSA-N 425.455 4.239 5 20 IIBD O=[N+]([O-])c1ccc2c(-c3nc(-c4cn5ccc(Br)cc5n4)no3)c[nH]c2c1 589377535 YXFCWKKWHMYMJO-UHFFFAOYSA-N 425.202 4.203 5 20 IIBD O=[N+]([O-])c1ccccc1CN(c1nnc(CCc2ccccc2)n1C[C@H]1CCOC1)C1CC1 589671227 ODQGHIPYJWTVKA-HXUWFJFHSA-N 447.539 4.177 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn(-c2ccc(Br)cc2)c1C 603440660 VXNZJPXYDVUMGG-UHFFFAOYSA-N 431.246 4.112 5 20 IIBD CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)cc21 604020597 XPADKQLYMPYWHT-UHFFFAOYSA-N 429.498 4.097 5 20 IIBD COc1cc([C@@H](C)NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OCCC(C)C 604035909 GJGWBBFANSVDIZ-MRXNPFEDSA-N 436.530 4.209 5 20 IIBD CCOc1cc(NC(=O)N2CCCN(c3ccccc3)CC2)c([N+](=O)[O-])cc1OCC 604083674 TVUHAUWKZWOXRK-UHFFFAOYSA-N 428.489 4.136 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(Sc3nc(C)cs3)cc2)c([N+](=O)[O-])c1 604117549 VFJOQLDTXSNSIU-UHFFFAOYSA-N 437.524 4.320 5 20 IIBD C[C@H]1CN(c2ccccc2NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)O1 604447136 PAVPSKGMCXJNRQ-QLFBSQMISA-N 433.892 4.268 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)CCCc1cc(-c2ccc(F)cc2)no1 608780190 JKIYMJLGMIZFOB-UHFFFAOYSA-N 426.448 4.200 5 20 IIBD CNc1ccc(C(=O)N[C@H](Cc2ccc(OC)c(OC)c2)c2ccccc2)cc1[N+](=O)[O-] 608968884 XQGKSHGWYAYOKZ-HXUWFJFHSA-N 435.480 4.368 5 20 IIBD CC[C@@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1nnc2n1CCCCC2 609357542 LCWSQRWUJMQODL-LJQANCHMSA-N 448.527 4.406 5 20 IIBD O=C([C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1Cc2ccccc2-c2ccccc21 609500960 VERCNOVHFFQMBC-LJQANCHMSA-N 433.489 4.475 5 20 IIBD Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 609979316 AVAJHWPOBPJIMM-QVKFZJNVSA-N 427.526 4.094 5 20 IIBD CCCOc1cc(NC(=O)N2C[C@H](C)O[C@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OCCC 610415721 GYPIXRXQAKATPC-SJCJKPOMSA-N 449.426 4.356 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(C)ccc1SCC(F)(F)F 619467687 WMDCIBVSHSOXFQ-UHFFFAOYSA-N 436.433 4.367 5 20 IIBD Cc1cc(C(=O)Cn2c(C)nc([N+](=O)[O-])c2Br)c(C)n1Cc1cccs1 726431986 RFKWZFMQTGENIC-UHFFFAOYSA-N 437.319 4.273 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC[C@@H]1CCCc2ccccc21 729220477 WYPRYOMIKXNFHT-RXVVDRJESA-N 442.537 4.110 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 729401082 FLFIUWVIDXXSJB-UHFFFAOYSA-N 442.472 4.031 5 20 IIBD C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc(I)c([N+](=O)[O-])c1 730470399 HUBBJSOVRRFOIA-SECBINFHSA-N 446.191 4.311 5 20 IIBD CC(C)OCc1ccc(NC(=O)c2ccc(I)c([N+](=O)[O-])c2)cc1 730486018 PJTYASCUADBRTI-UHFFFAOYSA-N 440.237 4.377 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)NC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)cc1[N+](=O)[O-] 731288878 WGRYSWZKMWNRSQ-MSOLQXFVSA-N 444.896 4.318 5 20 IIBD CCc1nc([C@@H]2NC(=O)N(CC3CC3)C(C)=C2C(=O)Nc2ccc([N+](=O)[O-])cc2)cs1 731430260 NHLBXAXUIHPRMY-IBGZPJMESA-N 441.513 4.003 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCc1ccccc1OCC(F)(F)F 731981931 IMOPDKIQMLIFEE-UHFFFAOYSA-N 440.346 4.144 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1COC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 733473567 DKUOIAMNFOZCGD-OAHLLOKOSA-N 433.486 4.275 5 20 IIBD COc1ccc(C(=O)CCCC(=O)OCc2ccc([N+](=O)[O-])cc2Br)cc1 740579076 BLNYNEKBLIINTB-UHFFFAOYSA-N 436.258 4.462 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1sccc1S(=O)(=O)N1CCCCC1 740679336 IJXAZJVELPSFRI-UHFFFAOYSA-N 443.934 4.045 5 20 IIBD CC(C)c1nn(C)c2sc(C(=O)OCC3CCN(c4ncccc4[N+](=O)[O-])CC3)cc12 744088531 OCYIUMKURZFKRC-UHFFFAOYSA-N 443.529 4.135 5 20 IIBD COc1cc(C(=O)OCc2ncc(-c3cccc(Br)c3)o2)ccc1[N+](=O)[O-] 744910612 GIQUATLFFRWEMP-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD O=C(OCc1c(F)cccc1[N+](=O)[O-])[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 745506488 OVIIVRRFANEZRR-SFHVURJKSA-N 443.258 4.157 5 20 IIBD O=[N+]([O-])c1ccccc1CN(C1CC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 746685780 SNXHQGRTINEJDK-UHFFFAOYSA-N 446.268 4.163 5 20 IIBD O=C(Nc1cc2c(cc1Br)OCCO2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 747197272 KWRBUDQGUBVBQO-UHFFFAOYSA-N 448.273 4.325 5 20 IIBD COc1cc(COC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)ccc1OC(F)F 748625253 MZBWJMNMGSWKGF-UHFFFAOYSA-N 426.328 4.087 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(N3CCc4sccc4C3)cc2)c([N+](=O)[O-])c1 748692382 JTCGEJAAISIXPR-UHFFFAOYSA-N 445.522 4.028 5 20 IIBD C[C@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)c2ccccc2N(Cc2ccccc2)C1=O 750110258 ZVXMAHIWPFHUHK-MHECFPHRSA-N 431.492 4.318 5 20 IIBD Cc1ccc([C@H](C)N/C=C2\C(=O)N(c3ccccn3)C(=O)c3ccccc32)cc1[N+](=O)[O-] 751924297 PAJNSFIPLSZEKX-IEOAWGNMSA-N 428.448 4.177 5 20 IIBD CCN(CC)C(=O)COc1ccc(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])cc1Cl 753091785 XPSNGBGPYRPBKA-UHFFFAOYSA-N 437.855 4.195 5 20 IIBD CC(C)(C)SCCCC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 754250910 GYVNCLGDJYOBJY-UHFFFAOYSA-N 443.572 4.135 5 20 IIBD CCN(Cc1ccc(OC)c(OC)c1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 755029730 WKDLAAPQXZSYAZ-UHFFFAOYSA-N 438.278 4.429 5 20 IIBD O=C(COC(=O)c1c[nH]nc1-c1ccccc1Cl)Nc1cc([N+](=O)[O-])ccc1Cl 756602547 SEISBEYXABFTCJ-UHFFFAOYSA-N 435.223 4.087 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N(C)Cc2cc(Br)ccc2Cl)cc1[N+](=O)[O-] 756772605 QIYGMNPTKZRFPA-UHFFFAOYSA-N 442.653 4.500 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 756988904 LMSFEIRDMRANGB-AWEZNQCLSA-N 436.295 4.070 5 20 IIBD C[C@@H](COC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)Oc1ccc(Cl)cc1 759883361 RQQQEHBLLZCGHT-LBPRGKRZSA-N 448.888 4.152 5 20 IIBD CC[C@@H](C)n1ncc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1C1CC1 760625194 GKHAUKKJIPETRD-VXGBXAGGSA-N 434.880 4.477 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OCC2CCOCC2)cc1 761897096 GKBWGUXJUXSLNL-UHFFFAOYSA-N 440.905 4.163 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H](O)c1ccc(Cl)cc1Cl 762416173 PFCBKTLTTMWMAW-OAHLLOKOSA-N 433.675 4.174 5 20 IIBD COc1cccc(OC)c1Oc1ccc(CNC(=O)c2cc(F)c([N+](=O)[O-])cc2F)cn1 763426796 NCSYYEMORGQDTA-UHFFFAOYSA-N 445.378 4.008 5 20 IIBD COc1ccc(C(=O)N[C@H](C(=O)O[C@@H](C)c2ccccc2[N+](=O)[O-])c2ccccc2)cc1 764598584 QAYZFDDITAQGSO-AOMKIAJQSA-N 434.448 4.379 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)C2)C1 765734363 REKTUXMLYRRBKC-HSZRJFAPSA-N 431.533 4.365 5 20 IIBD O=C(Nc1ccc(Cc2nnc3n2CCCCC3)cc1)c1cc(F)c(F)cc1[N+](=O)[O-] 766757095 IZRDXNYWEASLCX-UHFFFAOYSA-N 427.411 4.034 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCc2nc(-c3ccc(F)c(F)c3)no2)cc1SC 768025070 IPWHAXZMPOKMMY-UHFFFAOYSA-N 437.380 4.011 5 20 IIBD COc1ccc(-c2ncc(C(=O)OCc3nc4cc([N+](=O)[O-])ccc4o3)s2)cc1OC 769438090 YRGCMGNFSPRIPG-UHFFFAOYSA-N 441.421 4.234 5 20 IIBD Cc1cccc(-c2nnc([C@H](C)OC(=O)c3cc(Br)ncc3[N+](=O)[O-])o2)c1 769837525 ALGAZDOMIAUSJA-JTQLQIEISA-N 433.218 4.029 5 20 IIBD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1NC(=O)OC(C)(C)C 772292115 UYQSSVYJWXYCAP-CQSZACIVSA-N 443.456 4.434 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 772460233 KIUZQSIJYWKUHA-OAHLLOKOSA-N 430.892 4.151 5 20 IIBD O=C(COC(=O)c1sc(Br)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 773598868 OMDWVEBHLNBTPQ-UHFFFAOYSA-N 438.177 4.477 5 20 IIBD O=[N+]([O-])c1ccc(NC(=S)N2CCO[C@H](c3ccc(F)c(Br)c3)C2)cc1 774230754 RFWAQAXHYHPZMY-INIZCTEOSA-N 440.294 4.267 5 20 IIBD C[C@@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc(-c2ccc(Br)cc2)no1 775110543 FHZQKNYEBJQXSW-SNVBAGLBSA-N 448.233 4.166 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCc2sccc2[C@H]1c1cccs1 779532130 YSIOWWFSZBOLLM-KRWDZBQOSA-N 447.925 4.484 5 20 IIBD O=C(CCCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)OCc1ccccc1 781740137 HRDKHEZPZHARSL-UHFFFAOYSA-N 435.274 4.001 5 20 IIBD CN(C)S(=O)(=O)c1cccc(CNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])c1 782380060 IVFLBPDNUAZBPD-UHFFFAOYSA-N 437.827 4.129 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N(CCc1ccccc1F)C1CCCC1 783403256 XYIVRHUUPJDVGD-UHFFFAOYSA-N 433.867 4.340 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 783938126 HOUQXVLQDJFGRP-XNRPHZJLSA-N 438.912 4.405 5 20 IIBD Cc1ccc(OCc2nc(CC(=O)OCc3ccc(N(C)C)c([N+](=O)[O-])c3)cs2)cc1 784506173 RCSHHLYRCQILPH-UHFFFAOYSA-N 441.509 4.291 5 20 IIBD CSc1ccc(NC(=O)[C@H](C)OC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])cc1 790744637 VSIRCTDJNBRAGV-JTQLQIEISA-N 426.853 4.222 5 20 IIBD COc1ccc2[nH]cc(C3CCN(C(=O)c4cc([N+](=O)[O-])c(N(C)C)cc4F)CC3)c2c1 791210593 VZKDEXVWZZIJAF-UHFFFAOYSA-N 440.475 4.310 5 20 IIBD O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 791233377 UMATZXAPTOKTRB-UHFFFAOYSA-N 444.793 4.271 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@H](c2nc(Cc3cc(F)cc(Br)c3)no2)C1 795737563 LZUZLXVXDYUPMW-INIZCTEOSA-N 447.220 4.336 5 20 IIBD CC(C)c1[nH]nc(C(=O)O[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c1[N+](=O)[O-] 796258035 VYJWTQJPHCNMJS-IBGZPJMESA-N 426.404 4.117 5 20 IIBD Cc1cc(OCC(=O)O[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)ccc1[N+](=O)[O-] 797494798 FOKTZQHFMIHAJH-NSHDSACASA-N 427.240 4.159 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(Cc1ccccc1)Cc1ccccc1F 800628169 VBNAVXSKPWWPHE-UHFFFAOYSA-N 439.418 4.349 5 20 IIBD CO[C@H](COC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(Cl)cc1 801252043 VALZNROXUOYVIU-WOJBJXKFSA-N 446.887 4.092 5 20 IIBD COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 802397328 DQAJKADBXGKEOT-HNNXBMFYSA-N 445.907 4.263 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)c1cccc(-c2noc(C(F)(F)F)n2)c1 805923021 CBFOWLBKXIQSLP-MRXNPFEDSA-N 448.357 4.099 5 20 IIBD C[C@@H](OC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)C(=O)NCc1ccccn1 805955892 KMPNHVYMZQHWMC-OAHLLOKOSA-N 437.477 4.003 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N[C@H](CCO)c1ccc(Cl)cc1 806367144 JNOSYBNCKHTJFY-CQSZACIVSA-N 428.670 4.256 5 20 IIBD CCN(C[C@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1)CC(F)(F)F 813470266 BIKVWYBPTTZZBN-SNVBAGLBSA-N 428.238 4.248 5 20 IIBD CC(C)Oc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)N(C)C)cc1 813680529 DJIGMCUTABRHKX-HSZRJFAPSA-N 440.544 4.015 5 20 IIBD C[C@H](OC(=O)c1cnc2c(F)ccc(F)c2c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 815355835 SEUHQLQXPJCKTB-VIFPVBQESA-N 435.770 4.259 5 20 IIBD CCc1nc2ccccc2n1[C@@H]1CCCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 819476016 QSWUMQNUZPVSLC-QGZVFWFLSA-N 444.495 4.170 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(-n3cccn3)c(F)c2)c(Cl)cc1Cl 821157707 QOXMMFNSLWUVSJ-UHFFFAOYSA-N 431.232 4.027 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)NCc2ccc(COCc3ccccc3)cc2)cc1[N+](=O)[O-] 915299372 IKJZCLNNRDMIIO-UHFFFAOYSA-N 435.436 4.458 5 20 IIBD CC(C)c1noc2nc(C3CC3)cc(C(=O)OCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c12 915579219 YLBPGFZNUZIPGS-UHFFFAOYSA-N 442.403 4.066 5 20 IIBD Cc1oc(-c2cccs2)nc1C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 915637060 FVHGRFAZTBAJOJ-HNNXBMFYSA-N 443.481 4.433 5 20 IIBD CCCOc1ccc(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c(C)c1 917764117 XKUUFRWIKABTKY-UHFFFAOYSA-N 429.292 4.255 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1Br 917870179 MZIBOWYUCKGHDO-OAHLLOKOSA-N 429.267 4.022 5 20 IIBD Cc1cccc(N2C(=O)/C(=C/c3cc4c(cc3[N+](=O)[O-])OCCO4)c3ccccc3C2=O)c1 920387340 LGASAZJCBVPJJJ-UDWIEESQSA-N 442.427 4.402 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 921266984 SCEKWJOJJPZUKR-UHFFFAOYSA-N 449.482 4.047 5 20 IIBD Cc1cc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2N)n([C@H]2C[C@H]3CC[C@H]2C3)n1 1321298130 CKXIQELGQJQNQS-MJVIPROJSA-N 434.294 4.058 5 20 IIBD CC(C)S(=O)(=O)Cc1cccc(NCc2ccc([N+](=O)[O-])cc2Br)c1 1321365977 CRDBYDDZSRKGAF-UHFFFAOYSA-N 427.320 4.293 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCc1nnc([C@@H]2Cc3ccccc3CN2Cc2ccccc2)o1 1322972791 HELVWQPFTWJSKL-NRFANRHFSA-N 444.495 4.025 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1)c1cc(Cl)ccn1 1785750690 MYJKIUYEYAUQNA-UHFFFAOYSA-N 440.843 4.298 5 20 IIBD Cc1scc(C(=O)Nc2ccc(C3(NC(=O)c4n[nH]cc4[N+](=O)[O-])CCC3)cc2)c1C 1787563468 PHAVRJQBZKHCQT-UHFFFAOYSA-N 439.497 4.058 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@@H]3CCCCO3)CCC2)cc1)c1ccc([N+](=O)[O-])cc1F 1790621231 RRLAQVXYNDHFBB-FQEVSTJZSA-N 441.459 4.051 5 20 IIBD Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(F)cc([N+](=O)[O-])c4)cc3)CCC2)cn1 1790696580 LRNQRIXROPVNED-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2ccc(C)c([N+](=O)[O-])c2)C3)c(C)c1 1799598521 YKVQTCOVXOVIOF-WKCHPHFGSA-N 435.524 4.015 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(Cl)cc1F 1800526470 CSYLRBHTHCDIMJ-BTTYYORXSA-N 449.841 4.092 5 20 IIBD CC(C)(F)C(=O)N1CCCC2(CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC2)C1 1809615512 WLUXAEJFEKBSBX-UHFFFAOYSA-N 447.532 4.402 5 20 IIBD C/C=C/C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)[nH]n1 1821885464 AEBWCGBLQZDTQD-GIZXNFQBSA-N 431.880 4.162 5 20 IIBD O=C(C1=CCCC1)N1CCC([C@H]2CCCCN2C(=O)Cc2cc(F)ccc2[N+](=O)[O-])CC1 1832887837 ZAVFPSYZPBQEMH-OAQYLSRUSA-N 443.519 4.006 5 20 IIBD O=C1COc2ccc(C(=O)CSc3nc4ccccc4c4nc5ccccc5n34)cc2N1 8760831 AJGKZZUYUORIOW-UHFFFAOYSA-N 440.484 4.342 5 20 IIBD CCOC(=O)Nc1ccc2c(COC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc(=O)oc2c1 11025346 FQHXQWLAWYVGCX-UHFFFAOYSA-N 446.799 4.280 5 20 IIBD Cc1nc2cc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)ccc2n1-c1ccccc1 15757167 RYUBBVBZZCNWLY-UHFFFAOYSA-N 441.491 4.205 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(Nc2cccc(F)c2)s1 22171044 RAMRZZGLGLNUSV-UHFFFAOYSA-N 435.462 4.068 5 20 IIBD CN(CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)Cc1cc([N+](=O)[O-])ccc1Cl 25022110 BWDVULVBEAICSE-GOSISDBHSA-N 442.859 4.244 5 20 IIBD O=C(COC(=O)c1cc2c(OC(F)F)cccc2[nH]1)Nc1cc([N+](=O)[O-])ccc1Cl 25656434 SLNVWEKWYDRESA-UHFFFAOYSA-N 439.758 4.126 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 27955249 UOLISQXUYOGRKR-UHFFFAOYSA-N 446.506 4.131 5 20 IIBD CC(=O)Nc1ccc(C)c(NC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c1 57561955 QVRJEOSAXJAKKI-IBGZPJMESA-N 442.472 4.066 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(c2cccc3ccccc23)CC1 58501766 ZNJOPOALNXYHRC-UHFFFAOYSA-N 426.494 4.325 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c1C 60800968 VAHBUVFRHMCJBC-UHFFFAOYSA-N 429.473 4.310 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(Oc2cc(C)ccc2C)CC1 64631581 LPSSZNPMTFLZBY-UHFFFAOYSA-N 427.501 4.092 5 20 IIBD CCN(CC(=O)Nc1ccccc1OC)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] 68838040 UEHRUAJWPWUYFH-UHFFFAOYSA-N 433.464 4.299 5 20 IIBD C[C@H](c1cc2ccccc2o1)N(C)C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 105823227 NKLOBNCOTJSPHI-HIFRSBDPSA-N 425.416 4.053 5 20 IIBD CC(=O)Nc1ccc2c(COC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)cc(=O)oc2c1 106888691 AQYQDCOUOUNCGT-UHFFFAOYSA-N 438.436 4.314 5 20 IIBD O=C(CCc1ccc(-c2ccccc2F)o1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 109188744 ADTWNXVXFROEFU-UHFFFAOYSA-N 437.471 4.271 5 20 IIBD COCc1c(C(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)sc2cccc(F)c12 109334591 HAOAZWPCOWHEMG-UHFFFAOYSA-N 443.500 4.053 5 20 IIBD Cc1sc(NC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)nc1-c1cccc([N+](=O)[O-])c1 195703903 NGZZALFLGGMJKP-INIZCTEOSA-N 428.470 4.013 5 20 IIBD CN(C)[C@H](CNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccco1 237034384 JGENXZJAGOBDSI-JOCHJYFZSA-N 431.496 4.433 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 237637924 RSRXUYXJDSMECO-UHFFFAOYSA-N 430.512 4.147 5 20 IIBD O=C(O)c1ccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 238166514 GQTQWCOYVLLBRH-UHFFFAOYSA-N 437.374 4.167 5 20 IIBD COc1ccc(Cl)cc1NC(=O)CN(C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 261421559 GJXJVGXLFMOPGG-UHFFFAOYSA-N 444.875 4.025 5 20 IIBD CCCCCn1cc(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(C)n1 426197441 UNHWIYSJFUUOMS-UHFFFAOYSA-N 427.427 4.308 5 20 IIBD Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 430403337 GUELVPDLPJEBRO-HOTGVXAUSA-N 439.512 4.347 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3ccc(OCC4CC4)cc3)CC2)ccc1[N+](=O)[O-] 432127411 SPHKHPCABRDCIU-UHFFFAOYSA-N 440.500 4.136 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3ccc4c(c3)CC(C)(C)O4)CC2)ccc1[N+](=O)[O-] 432243245 UHIXIYKVSWRCRG-UHFFFAOYSA-N 440.500 4.061 5 20 IIBD O=C(CN1CCC2(CCN(Cc3ccccc3)CC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl 433124830 GGWHCQQWASDKJJ-UHFFFAOYSA-N 442.947 4.175 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](c1cccc(Cl)c1)C1CCCC1 433874211 IVGMWVMYANMNOB-LJQANCHMSA-N 431.876 4.243 5 20 IIBD CCn1nccc1C1CCN(C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 434011653 MVJAOPMXDFVPFU-QZTJIDSGSA-N 439.560 4.313 5 20 IIBD CC[C@@H](C)[C@H](NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-])C(F)(F)F 436168645 FMMJPXRNYWMFIH-HWPZZCPQSA-N 447.435 4.346 5 20 IIBD Cc1cc(Br)cn2cc(CNc3cc(C(F)(F)F)ncc3[N+](=O)[O-])nc12 436335535 GWMNIZAYISPVIT-UHFFFAOYSA-N 430.184 4.339 5 20 IIBD O=C(NCc1cccc(OCC(F)F)c1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 436362462 DYGBFXXLCXMMIS-UHFFFAOYSA-N 426.394 4.394 5 20 IIBD CSc1ccc(C(=O)N[C@H](C)[C@H](OC2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] 437334852 SRQDDRWDFICCRW-VFNWGFHPSA-N 430.526 4.372 5 20 IIBD CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437601289 KYSNYFMQIZLDPE-FQEVSTJZSA-N 429.904 4.194 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H](C)c1cccc(C(F)(F)F)c1 439699116 OMAJICKQPFYKRD-GFCCVEGCSA-N 439.390 4.170 5 20 IIBD CCCN(Cc1c(F)cccc1Cl)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OCC 439711359 QBIAXMCRGVVKGF-UHFFFAOYSA-N 437.855 4.163 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(N2CCc3ccccc3C2)nc1 439877322 JCZBCGCAEFOWAS-UHFFFAOYSA-N 447.495 4.273 5 20 IIBD Cc1nc(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)ccc1[N+](=O)[O-] 440413493 NDEGKLFVMLIAMS-SFHVURJKSA-N 438.871 4.452 5 20 IIBD C[C@@H](O)CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H](C)Cc1ccc(Cl)cc1 441262591 QBJSPWNELPJTGT-HUUCEWRRSA-N 430.892 4.112 5 20 IIBD O=C(NCCc1nc(-c2ccccn2)cs1)c1ccc2[nH]c3ccccc3c(=O)c2c1 444013831 YINKKMDRWSKVPE-UHFFFAOYSA-N 426.501 4.172 5 20 IIBD CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1F 444049810 NAEAIUYJTBSBDJ-UHFFFAOYSA-N 432.452 4.392 5 20 IIBD C[C@H](NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccc(Br)s1 444106027 QOOOWBNUQZGFAY-LBPRGKRZSA-N 439.335 4.012 5 20 IIBD C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc(OC(F)F)cc1 446964905 JPIUGQLTMICNGI-SECBINFHSA-N 440.346 4.255 5 20 IIBD CCN([C@H](C)c1cccc(OC)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 447016406 JTPQNZQBACBKNX-GFCCVEGCSA-N 443.319 4.138 5 20 IIBD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2Nc2ccc(Cc3nnc4n3CCCCC4)cc2)n1 447590503 CXIROKOSLFRPCF-WOJBJXKFSA-N 435.532 4.296 5 20 IIBD COc1cc(C(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)c([N+](=O)[O-])cc1OC 448324540 GZEMFVGHFATEJR-UHFFFAOYSA-N 436.346 4.069 5 20 IIBD CC[C@@H](c1ccccc1)c1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1C[C@@H]1CCOC1 461546263 BGCXPHKLZVGWFR-MBSDFSHPSA-N 447.539 4.327 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2sc(C)nc2C)c([N+](=O)[O-])c1 462915016 UYVZBEBBZQBTDP-UHFFFAOYSA-N 446.554 4.495 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)[C@H]1SCCc2sccc21)c1ccccc1[N+](=O)[O-] 463445238 UDZQFAGJSPGJHS-KXBFYZLASA-N 434.539 4.186 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cc(-c4ccncc4)nn3C)cc2[N+](=O)[O-])C1 463903892 PMDWDWWIYWLRKX-HZPDHXFCSA-N 434.500 4.125 5 20 IIBD Cc1ccc(CCN(CC(F)(F)F)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1 463938585 HZENTJBMOWTGCM-UHFFFAOYSA-N 432.402 4.336 5 20 IIBD COc1ccc2c(c1)N(C(=O)c1ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c1)CCO2 464370426 ZLJSWGZCPSNQCL-IYBDPMFKSA-N 425.485 4.125 5 20 IIBD C[C@@H](NC(C)(C)CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 465920976 OFJISBLRAHIGFC-GOSISDBHSA-N 440.544 4.277 5 20 IIBD C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 466439545 TYDXPYKZNORVCI-ZUKSIGSZSA-N 438.958 4.381 5 20 IIBD CC(=O)N1CC[C@@H](CN(C)C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C1 466539701 IFVXSJJGKLIILZ-HNNXBMFYSA-N 447.944 4.340 5 20 IIBD O=C(NCc1ccncc1OCC(F)(F)F)c1cccc2c(=O)c3cccc(F)c3[nH]c12 467775836 IPPMFJZSLSRMBO-UHFFFAOYSA-N 445.372 4.087 5 20 IIBD COc1ccc(CSCC(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)cc1[N+](=O)[O-] 469243946 ZQLDSNOKLWOCEC-LJQANCHMSA-N 436.917 4.090 5 20 IIBD COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])n3C)C2)n1 470429208 OTEFQEBAKUFWQX-CQSZACIVSA-N 426.498 4.085 5 20 IIBD COC[C@H](Cc1ccccc1)NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 471611839 QTZUTLYPLHRLCS-PXNSSMCTSA-N 434.496 4.150 5 20 IIBD CCCOc1ccc(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c(OC(F)F)c1 471733968 FKSTUNVNUVDIAC-UHFFFAOYSA-N 430.429 4.001 5 20 IIBD CCc1ccc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1[N+](=O)[O-] 471806549 ZDTMBIRFHDQBMZ-UHFFFAOYSA-N 436.295 4.062 5 20 IIBD Cc1cc(Br)cc(C)c1N(CC(F)F)C(=O)CCn1cc([N+](=O)[O-])nc1C 472021465 WMLAKKSERWGETP-UHFFFAOYSA-N 445.264 4.167 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCC(OC[C@H]2CCCCO2)CC1 475221504 XVPSKCFPHNZNOG-OAHLLOKOSA-N 431.411 4.196 5 20 IIBD O=[N+]([O-])c1ccc2nc(CNCc3ccc(OC(F)(F)F)c(Br)c3)[nH]c2c1 475228863 DEUDHDJEEKOOJK-UHFFFAOYSA-N 445.195 4.422 5 20 IIBD Cn1c(O)nc2ncc(-c3cccc(C(=O)N(Cc4ccccc4[N+](=O)[O-])C4CC4)c3)cc21 475245861 PDVRVPIKJXULSZ-UHFFFAOYSA-N 443.463 4.054 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)NCc1cc(Br)ccc1Br 476863652 XTKRZKGOJIMBFJ-UHFFFAOYSA-N 443.095 4.119 5 20 IIBD CCOC(=O)c1ccn(-c2cccc(CNc3ccc([N+](=O)[O-])c(OC(F)F)c3)c2)n1 480788283 RDCRLYKUAXSURD-UHFFFAOYSA-N 432.383 4.171 5 20 IIBD Cc1c([C@H](C)NCCc2ccc([N+](=O)[O-])cc2)nnn1-c1cccc(Br)c1 482521338 XNSUJPKTXRNTMU-ZDUSSCGKSA-N 430.306 4.140 5 20 IIBD Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)C2)cc1 486231753 ADVFMEJVDYLLIX-INIZCTEOSA-N 435.484 4.058 5 20 IIBD CC(C)(C)OC(=O)C1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 486517550 IPTLZQXCMGYFDB-UHFFFAOYSA-N 440.496 4.368 5 20 IIBD Cc1cc(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)ccc1F 487903791 AZNQIUIWCZGIJC-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cccc(OCCN(C)C)c3)cc2[N+](=O)[O-])C1 487938715 ACZJKAGUSBZGKG-ROUUACIJSA-N 440.544 4.270 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 488373637 NZQIDTRHPSHXEY-NSHDSACASA-N 447.296 4.118 5 20 IIBD O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1 489052576 JVJPCFHSBHKELM-KRWDZBQOSA-N 438.415 4.220 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN(C(=O)c2ccc(Br)cc2)CC1 489160334 FUVVINOMFQHQTF-HNNXBMFYSA-N 432.318 4.185 5 20 IIBD CCn1c(SCc2csc(N(C(C)=O)C3CC3)n2)nnc1-c1ccc([N+](=O)[O-])cc1 489409150 NNIMZRDJPNUYPK-UHFFFAOYSA-N 444.542 4.137 5 20 IIBD COc1cc(CN(C)Cc2nc(C(F)(F)F)cs2)c([N+](=O)[O-])cc1OCC(F)F 490376874 VUDFZPQDFVXKOD-UHFFFAOYSA-N 441.378 4.355 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](c1ccccc1OC(F)F)C(F)(F)F 491409630 IYLKJFUYIJHJEN-MRXNPFEDSA-N 433.333 4.336 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)Nc2ccccc2CN2C[C@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] 493310554 LYSSKQNTWVPYKN-FGTMMUONSA-N 426.517 4.395 5 20 IIBD Cc1cccc(Oc2ccccc2NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)c1 498331033 YYDOHNMWKSPPKH-UHFFFAOYSA-N 434.452 4.133 5 20 IIBD CC[C@@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@@H](O)C(F)(F)F 498580335 YQPLRBGWVPUSFY-CZUORRHYSA-N 432.782 4.472 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 500790971 DNAKYODWGUILCU-NRFANRHFSA-N 449.532 4.370 5 20 IIBD Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 501184463 CWMRAOUDSVGKPS-INIZCTEOSA-N 437.258 4.488 5 20 IIBD O=C(CCN1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1)Nc1ccc([N+](=O)[O-])cc1 506495539 PSZJHZOEQROITH-UHFFFAOYSA-N 448.882 4.067 5 20 IIBD O=[N+]([O-])c1ccc(-c2cnn(Cc3nc(-c4ccc(Br)s4)no3)c2)cc1 510993750 WXBVCAJXGCAXSW-UHFFFAOYSA-N 432.259 4.381 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cccc(COCCOc3ccccc3)c2)cc1[N+](=O)[O-] 511148923 ADRGBLWCISURAZ-UHFFFAOYSA-N 442.493 4.300 5 20 IIBD COc1cc([C@H]2NC(=O)c3cccc(OC)c3O2)ccc1OCc1ccc([N+](=O)[O-])cc1 511210598 YVZHFHNRFYNGAJ-QHCPKHFHSA-N 436.420 4.012 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc(I)ccc1Cl 512994159 UYUFMVLOOASCDQ-UHFFFAOYSA-N 444.656 4.168 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCc3ccc(-c4ccccc4)cc32)cc1[N+](=O)[O-] 513823338 SNYYUUIOJTXMAQ-HXUWFJFHSA-N 436.489 4.083 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H]1CCCCN1C(=O)c1cccs1 514525989 MWEDZJQIAVGGMI-INIZCTEOSA-N 442.522 4.413 5 20 IIBD CCOc1cccc(CNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])c1 515550654 XCSBYPCYFXJQQJ-UHFFFAOYSA-N 427.482 4.406 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)c1C 515848213 DMNHYAKLOOYKRN-UHFFFAOYSA-N 445.541 4.417 5 20 IIBD O=C(NC1CC1)c1ccc(CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C2CC2)cc1 516271671 VGAVKNKQTVDZOP-UHFFFAOYSA-N 428.876 4.337 5 20 IIBD C[C@@H]1C[C@H]1c1ccc(CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C2CC2)o1 518112297 NPOUHZOLJHOTRG-IAQYHMDHSA-N 449.410 4.042 5 20 IIBD COc1ccc(CNC(=O)c2[nH]c3ccc(Br)cc3c2Cl)cc1[N+](=O)[O-] 518312487 BBVRHTVDUKPZAX-UHFFFAOYSA-N 438.665 4.431 5 20 IIBD COC(=O)c1cccc2c1CCCN2C(=O)c1cc([N+](=O)[O-])cc(Br)c1C 519605681 AVULDTLNGBAPLA-UHFFFAOYSA-N 433.258 4.045 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1NC(=O)c1ccncc1 520038117 GHNNSXVIFDNCHQ-UHFFFAOYSA-N 446.872 4.005 5 20 IIBD COc1ccc(NC(=O)CCOc2ccc(Cl)cc2Br)c([N+](=O)[O-])c1 520690873 YYTQMALSEXVUBR-UHFFFAOYSA-N 429.654 4.427 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NCc2cccc(COCc3ccco3)c2)c([N+](=O)[O-])c1 521239384 MUEKTAZRFDHYRS-UHFFFAOYSA-N 446.463 4.481 5 20 IIBD CCc1cccc2c1N(C(=O)c1cc(OC)c(OCc3cscn3)cc1[N+](=O)[O-])CC2 521884643 RZDODOATEOOIRT-UHFFFAOYSA-N 439.493 4.404 5 20 IIBD CCCOc1cc(NC(=O)N2CCC[C@H](c3ncc[nH]3)C2)c([N+](=O)[O-])cc1OCCC 522090941 ATHUKFDNRSUVGF-HNNXBMFYSA-N 431.493 4.307 5 20 IIBD CN1C(=O)C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)[C@H]1c1cccc(Cl)c1 522335237 HEXOIWKUZCFASF-SUMWQHHRSA-N 439.802 4.008 5 20 IIBD Cc1nn(CCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(F)cc2)c(C)c1[N+](=O)[O-] 522569599 UPWWNZDINCFSBM-UHFFFAOYSA-N 428.468 4.059 5 20 IIBD C[C@H]1CCCCN1C[C@@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 522842987 XERDCWMVUKFGSV-GJZGRUSLSA-N 426.464 4.315 5 20 IIBD CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 523497246 VQHXVRIVZISMRN-JPYJTQIMSA-N 437.540 4.033 5 20 IIBD O=C1c2ccccc2N[C@@H](c2ccc(Br)cc2[N+](=O)[O-])N1C[C@H]1CCCO1 532263608 KCKDISODWRLGAI-FZKQIMNGSA-N 432.274 4.103 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 535674148 FHWACFNLOMUMMJ-ORAYPTAESA-N 436.871 4.210 5 20 IIBD CCC[C@@H]1CN(C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CCO1 536293381 JNPSBRJFLHLXQA-MRXNPFEDSA-N 428.510 4.189 5 20 IIBD CCCCCn1c(SCCn2cc([N+](=O)[O-])ccc2=O)nc2cc(Cl)ccc2c1=O 536447430 HNTFYHOOKXTKPS-UHFFFAOYSA-N 448.932 4.102 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CN2CCN(C)CC2)cc1 536537982 GNCCLWUQWVOUQS-UHFFFAOYSA-N 442.585 4.343 5 20 IIBD NC(=O)C1CCN(c2cccc(NCc3csc(-c4cccc([N+](=O)[O-])c4)n3)c2)CC1 538832911 UNIDIHRQRRDLEH-UHFFFAOYSA-N 437.525 4.032 5 20 IIBD Cn1cc(C(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)c(-c2ccc([N+](=O)[O-])cc2)n1 539658832 IXTBTGOWVQQQBS-UHFFFAOYSA-N 440.419 4.451 5 20 IIBD COc1cc([C@@H](C)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 540350947 FOSHALQKNLUCEW-GOSISDBHSA-N 449.507 4.496 5 20 IIBD COc1ccc(NC(=O)c2nnn(-c3ccc(-c4ccccc4)cc3)c2C)cc1[N+](=O)[O-] 542925368 XXGGUVWPLPKZAC-UHFFFAOYSA-N 429.436 4.412 5 20 IIBD Cc1nc([C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2F)no1 543119591 PNJZFVQLLYBSNY-KRWDZBQOSA-N 436.852 4.077 5 20 IIBD O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H](c1ccccc1)c1cc(Cl)ccc1Cl 543196154 JVZININRMARWOC-SFHVURJKSA-N 434.283 4.187 5 20 IIBD CN(c1ccccc1)S(=O)(=O)c1cccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 545554113 IKPYODZGSAUQLV-UHFFFAOYSA-N 436.449 4.137 5 20 IIBD COc1ccc([C@H](Cc2ccc(F)cc2)NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1 546799444 RHXVPNBYSVACBJ-NRFANRHFSA-N 444.484 4.146 5 20 IIBD O=[N+]([O-])c1cccc(Oc2ccc(-c3noc(-c4ccnc(-n5cncn5)c4)n3)cc2)c1 547200570 MYZLQOOOAVAHHC-UHFFFAOYSA-N 427.380 4.080 5 20 IIBD COc1ccc(OC)c(CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C(C)(C)C)c1 548996474 MEMATNPBUJJATD-UHFFFAOYSA-N 438.484 4.239 5 20 IIBD CCOC(=O)c1cc(C(=O)N[C@@H](c2c[nH]c3ccccc23)C(F)(F)F)cc([N+](=O)[O-])c1 553154532 MGUBLQTWRLLCHG-KRWDZBQOSA-N 435.358 4.286 5 20 IIBD CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 555358400 WATQTTARYWWKES-UHFFFAOYSA-N 448.527 4.364 5 20 IIBD CS(=O)(=O)c1cc(C(=O)N(Cc2c(Cl)cccc2Cl)C2CC2)cc([N+](=O)[O-])c1 568425749 VYRGDURPMXDUQU-UHFFFAOYSA-N 443.308 4.110 5 20 IIBD O=C([C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N(Cc1ccccc1Cl)CC1CC1 568426495 GDPBDMFJOPMHQJ-QGZVFWFLSA-N 447.944 4.353 5 20 IIBD O=C(Cc1noc([C@@H]2CCC[C@H]3CCCC[C@H]32)n1)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 569766434 JJRAVVBRMJOCSI-RBSFLKMASA-N 442.472 4.004 5 20 IIBD O=C(N[C@H](c1ccccc1F)C1CCCC1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 576404426 JYVDTHPLCUHGMD-QFIPXVFZSA-N 439.487 4.273 5 20 IIBD Cc1cc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1C(F)(F)F 581323046 OXFCXTZMUVHNEW-UHFFFAOYSA-N 425.382 4.460 5 20 IIBD O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 600881638 XYYQLSKSVVPGSG-JOCHJYFZSA-N 434.496 4.367 5 20 IIBD O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 603601378 XWHOKTSFIDNIKM-UHFFFAOYSA-N 444.535 4.094 5 20 IIBD Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 603638560 ZBCSSJVOQASUMQ-UHFFFAOYSA-N 449.511 4.145 5 20 IIBD C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 603874996 ZXJKLIOROTVIAD-LBPRGKRZSA-N 441.340 4.126 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC[C@H](OCC(F)(F)F)C3)cc2[N+](=O)[O-])C1 603981799 NGRQGXGGFINGFE-INMHGKMJSA-N 443.466 4.261 5 20 IIBD O=C(c1cc(Cl)ccc1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)N1CCCC1 604010220 UIEGEBGXKSPREM-UHFFFAOYSA-N 427.848 4.146 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N(CCc1ccccn1)Cc1ccc(F)cc1 608880767 ILCFRJKBGPRBOP-UHFFFAOYSA-N 425.485 4.493 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ccc2c(c1)OC1(CCCCC1)O2 609391719 UVAURFUNSAOLER-UHFFFAOYSA-N 445.859 4.048 5 20 IIBD CCCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)[C@@H](c1cccnc1)c1ccc(F)cc1F 609522467 NXPNHEBVECWEEN-QFIPXVFZSA-N 443.454 4.191 5 20 IIBD CC(C)(C)C(=O)N1CSC[C@H]1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609756157 XMVRNBBLGHVIGF-SFHVURJKSA-N 429.498 4.273 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@@H](c1cccc(F)c1)c1cnn(C)c1 609969617 DDPMRIDLOLWFRY-RBZFPXEDSA-N 446.866 4.136 5 20 IIBD Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)CCn1cc([N+](=O)[O-])nc1C 609980352 HNJWLKZQXGIHKK-UHFFFAOYSA-N 436.447 4.130 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1F 610182728 PHNXVMIJOLEOEK-UHFFFAOYSA-N 437.177 4.282 5 20 IIBD CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1O 611484740 PYUZIUINWXBQJI-HNNXBMFYSA-N 426.256 4.000 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1 612501950 KERFVNWCPAKENO-CYBMUJFWSA-N 449.227 4.062 5 20 IIBD CC(C)c1ccc(-c2nc(CC(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)cs2)cc1 618741778 LYBZKZBRFVTLJM-UHFFFAOYSA-N 439.541 4.444 5 20 IIBD CCOc1cc(NC(=O)CCc2c(C)nc(SC)nc2C)c([N+](=O)[O-])cc1OCC 619213050 GBIZURQFVIUAFH-UHFFFAOYSA-N 434.518 4.092 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 619467025 JQDSWDAARFDYPP-UHFFFAOYSA-N 449.872 4.032 5 20 IIBD C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CNC2(c3ccc(Cl)cc3)CCCC2)C1=O 727167302 XUYYAALYUFFHAC-NRFANRHFSA-N 442.903 4.032 5 20 IIBD CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)sc2ccccc12 727303934 AVVOVZAOYFRRIW-UHFFFAOYSA-N 428.422 4.010 5 20 IIBD Cc1ccccc1-c1nc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cs1 727559031 HSLRRUUSRDWMIV-GFCCVEGCSA-N 429.429 4.350 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 727711963 SJGHLMCXNQCPHV-LDADJPATSA-N 436.815 4.132 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC[C@H]1CCCc2ccccc21 729220478 WYPRYOMIKXNFHT-WIYYLYMNSA-N 442.537 4.110 5 20 IIBD O=C(CSc1nnc(-c2ccccc2)s1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 729940247 OAMPZOSRVLIOIM-UHFFFAOYSA-N 444.494 4.005 5 20 IIBD COC(=O)[C@H](C)NC(=O)c1ccc(N[C@@H](C)c2csc3ccccc23)c([N+](=O)[O-])c1 729986132 HTCUEMHEXRMOET-STQMWFEESA-N 427.482 4.274 5 20 IIBD Cc1cc(O[C@@H](C)C(=O)OC[C@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])ccc1Cl 730703120 HOLYPTWLCVTGQD-JKSUJKDBSA-N 446.887 4.172 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccc(Br)cc1F 730977223 QVPNVEYAIBQDJO-LLVKDONJSA-N 427.295 4.336 5 20 IIBD C[C@H](OC(=O)[C@H](C)Oc1ccc(F)cc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 733565917 XLPAXBMQSUXSFU-UWVGGRQHSA-N 445.230 4.378 5 20 IIBD CCc1ccc(OC(=O)C2CCN(C(=O)c3cc(Cl)ccc3OC)CC2)c([N+](=O)[O-])c1 734737110 MEOMEEWHLQETBO-UHFFFAOYSA-N 446.887 4.277 5 20 IIBD O=C(COC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)Nc1ccc(-c2ccccc2)cc1 735354193 PWPVSMHGIOAAMF-UHFFFAOYSA-N 443.415 4.311 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1CC(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 735444066 XHLOFIKXATZLDA-UHFFFAOYSA-N 432.436 4.338 5 20 IIBD C[C@@H](OC(=O)[C@@H]1CCCN(Cc2ccccc2)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 735941304 ZCLREJGTDNHPGS-NVXWUHKLSA-N 445.903 4.031 5 20 IIBD CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H](C)c1ccccc1 737300716 LWZJCNRLGYSNCV-YJBOKZPZSA-N 446.935 4.068 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 739589244 KMKZOCUQTIECDY-UHFFFAOYSA-N 426.454 4.379 5 20 IIBD C[C@H](OC(=O)C1CCN(Cc2ccccc2)CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 741330886 RYTZLBFEAXTYDS-INIZCTEOSA-N 436.468 4.161 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(CCn2cc(Br)cn2)cc1 741609702 NRVMWDSCIMIGNZ-BJMVGYQFSA-N 441.285 4.448 5 20 IIBD COc1cc(C(=O)O[C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)c([N+](=O)[O-])cc1OC 741820744 UBMZLNKEEVIBSY-LLVKDONJSA-N 447.831 4.157 5 20 IIBD C[C@H](OC(=O)c1cnc2ccsc2c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 745399436 HYHAGYRAQSSPEY-VIFPVBQESA-N 439.371 4.407 5 20 IIBD C[C@@H](O)CC(C)(C)CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 746011472 KAECQJKMJGKDJO-CYBMUJFWSA-N 433.892 4.027 5 20 IIBD C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)OCc1cc(Cl)ccc1[N+](=O)[O-] 746067592 BOJLDQYBIGIKDU-VIFPVBQESA-N 431.659 4.417 5 20 IIBD O=C(OCc1ccnc(-c2ccc(Br)cc2)n1)c1ccc([N+](=O)[O-])cc1F 750017511 AFNBITDFYIAUKV-UHFFFAOYSA-N 432.205 4.310 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)C1(c2ccccc2C)CCCCC1 750149382 XJWLBKHWWIGPSP-UHFFFAOYSA-N 426.469 4.296 5 20 IIBD O=C(N[C@H]1CCCN(c2ccccc2)C1)c1cc(Br)cc([N+](=O)[O-])c1Cl 750880217 QFYZUFICFCCDAW-ZDUSSCGKSA-N 438.709 4.410 5 20 IIBD O=C(NC1(c2ccc(Cl)cc2)CCCC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 751144561 WKOJIUZYPDWVNP-UHFFFAOYSA-N 429.904 4.284 5 20 IIBD CCCc1c(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1-c1ccccc1 751792604 WBZYPSADRYESNG-UHFFFAOYSA-N 433.424 4.140 5 20 IIBD COCCN(CCCc1ccccc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754987711 MSQAAGXUAURCID-UHFFFAOYSA-N 439.281 4.218 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)N[C@H](C)c1ccc(Cl)cc1 754987941 NKXKUGPEUUCYTJ-NXEZZACHSA-N 429.231 4.463 5 20 IIBD COc1c([N+](=O)[O-])cc(NCCCNc2ccccc2)c([N+](=O)[O-])c1Br 757885806 LQWTZYHVGBTONG-UHFFFAOYSA-N 425.239 4.188 5 20 IIBD Cc1cc(Br)cc([N+](=O)[O-])c1OCC(=O)c1ccc(N2CCCC2=O)cc1 759712762 CERSBQRWTMYARG-UHFFFAOYSA-N 433.258 4.054 5 20 IIBD O=C(CCc1ncc(-c2ccc(F)cc2F)o1)O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 759933009 RLYCUJHHWSQPTB-DLBZAZTESA-N 446.410 4.384 5 20 IIBD Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 760777840 GQFWAQMMYGYYCJ-JTQLQIEISA-N 432.776 4.433 5 20 IIBD CN(C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccc(Cl)cc1 760839519 ZKCPMRNKMPMWOT-OAHLLOKOSA-N 426.698 4.043 5 20 IIBD Cc1oc(-c2ccccc2)nc1Cc1noc(-c2cc(O)nc3ccc([N+](=O)[O-])cc23)n1 761492846 WAXCOMGECQDQMI-UHFFFAOYSA-N 429.392 4.453 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])c2nsnc2c1)C(=O)Nc1cccc(Cl)c1Cl 762976376 VCXIRWJTFUQEMY-ZETCQYMHSA-N 441.252 4.090 5 20 IIBD C[C@@H](C(=O)OCc1nc(-c2cc(Br)cs2)no1)c1cccc([N+](=O)[O-])c1 763403148 DCAUTIBVZYDGJE-SECBINFHSA-N 438.259 4.316 5 20 IIBD Cc1ccc(Cc2nc(C(=O)O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)cs2)cc1 768651448 IIOQFFKUUNYIOW-AWEZNQCLSA-N 425.466 4.135 5 20 IIBD CC(C)N(C(=O)COC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccccc1 773600353 DDSQJZFYBIOTKO-UHFFFAOYSA-N 427.276 4.017 5 20 IIBD C[C@H]1C[C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCN1C(=O)OC(C)(C)C 773788273 PDFBIHXJGZUHTA-ZFWWWQNUSA-N 446.529 4.236 5 20 IIBD COc1ccc2nc(Cl)c(C(=O)OCc3nc(-c4cccc([N+](=O)[O-])c4)no3)cc2c1 775015320 IXMCNOAAFLPOLQ-UHFFFAOYSA-N 440.799 4.212 5 20 IIBD CN(C)c1ccc(N(Cc2ccc[nH]2)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1 775787682 CHPRFHKKUWQJAN-UHFFFAOYSA-N 430.468 4.022 5 20 IIBD O=C(Nc1ccc(-c2nnc3n2CCCCCC3)cc1)c1cc([N+](=O)[O-])c2nsnc2c1 778221627 ILYMZRZWNJEURE-UHFFFAOYSA-N 449.496 4.227 5 20 IIBD Cc1nn(-c2ccccc2)c2ncc(C(=O)O[C@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)cc12 778322060 ZAKUOQUSIKXUMV-UXHICEINSA-N 446.467 4.174 5 20 IIBD COc1cc(OC)c(NCc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1Br 779188406 NIXWPVLKYONNFS-UHFFFAOYSA-N 427.251 4.004 5 20 IIBD CCc1cc(=NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)c2cc([N+](=O)[O-])ccc2[nH]1 779468969 AAJVUPPEVNSNKG-QHCPKHFHSA-N 430.464 4.030 5 20 IIBD Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781641665 KYDRCIQSDQXADL-SFHVURJKSA-N 435.440 4.208 5 20 IIBD CC1=C(C(=O)Nc2cccnc2Cl)[C@H](c2ccc([N+](=O)[O-])s2)NC(=O)N1CC1CC1 782247438 AEDGIEVCCAMLDX-INIZCTEOSA-N 447.904 4.094 5 20 IIBD CC(=O)c1cc(Br)cc(F)c1OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 783923888 AZTVVCWRTAJBOR-UHFFFAOYSA-N 445.628 4.370 5 20 IIBD O=C(/C=C/c1ccc2[nH]ccc2c1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791171226 CCBITZFELOAGEN-QHHAFSJGSA-N 426.270 4.437 5 20 IIBD CN(C)c1cc(F)c(C(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)cc1[N+](=O)[O-] 791222122 PKAHKXNICDSBMN-HXUWFJFHSA-N 428.851 4.368 5 20 IIBD COc1c(NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc(Cl)cc1C(=O)N(C)C 793577142 SBCVFNJHPOXGEG-UHFFFAOYSA-N 432.908 4.040 5 20 IIBD CCC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)c1 794588488 ACVDMWOROHOCOC-UHFFFAOYSA-N 434.861 4.032 5 20 IIBD CN(Cc1cc(Br)cs1)C(=O)COc1cc(F)c([N+](=O)[O-])cc1Cl 795247748 MFCRMJYHESBBIM-UHFFFAOYSA-N 437.674 4.249 5 20 IIBD C[C@H](OC(=O)[C@@H](C)[C@@H]1OCCc2sccc21)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 796488558 GJLHRLCMKFTZIA-PRXAMGSTSA-N 429.454 4.261 5 20 IIBD CCn1nc(C)c(CC(=O)O[C@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])c1C 797062274 NTNKGVFNACJSED-GOSISDBHSA-N 438.322 4.165 5 20 IIBD COc1cc(C(=O)OCc2nnc(C)cc2O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 802172853 SFQZPXBEGACAOA-UHFFFAOYSA-N 445.815 4.210 5 20 IIBD CC(C)(C)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2nc[nH]n2)cc1[N+](=O)[O-] 803614617 YJNHRKBDORNOBB-UHFFFAOYSA-N 442.457 4.322 5 20 IIBD C[C@@H](OC(=O)c1cscc1Br)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 803772732 WCNJPLKWZOHWNT-SSDOTTSWSA-N 433.667 4.256 5 20 IIBD COCCn1c(SCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])nnc1-c1ccncc1 809947858 NQUXDSZVWUGVRE-UHFFFAOYSA-N 440.312 4.494 5 20 IIBD CC(C)(C)OC(=O)N1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccccc21 810052276 PHZSILIROMMIFL-UHFFFAOYSA-N 437.456 4.407 5 20 IIBD CC1(C)CC(NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC(C)(C)C1 810381776 VXHGJMLJHNLWME-UHFFFAOYSA-N 426.311 4.017 5 20 IIBD O=C(Nc1ccc(OC(=O)[C@H]2C[C@H](c3ccccc3)OC2=O)cc1)c1cccc([N+](=O)[O-])c1 813384823 DKYWWKLPPPFHGB-NHCUHLMSSA-N 446.415 4.057 5 20 IIBD O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 813766631 FEUVTHLMCXUTRA-UHFFFAOYSA-N 447.264 4.393 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 814247156 UBBYSXTXMSIGCU-UHFFFAOYSA-N 432.476 4.089 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cn2c(Br)cnc2s1 815370781 XJXBKBBOUGMPOO-UHFFFAOYSA-N 449.242 4.079 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCc1cncc(-c2ccsc2)c1 816257059 JXRLCFXPYFUUIS-UHFFFAOYSA-N 439.449 4.150 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc(-n3cnc4ccccc43)cc2)cccc1[N+](=O)[O-] 857433712 NOWNRDCISHXYNN-INIZCTEOSA-N 444.447 4.426 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 909920092 MEUFUJSUUABNNF-MLPAPPSSSA-N 433.376 4.374 5 20 IIBD C[C@H](OC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 913268310 ZKUBQSIAAXLRND-HNNXBMFYSA-N 448.435 4.423 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] 914744354 TVQPJFZLGYWDLW-URLYPYJESA-N 443.300 4.451 5 20 IIBD COc1cc(NC(=O)Cc2cccs2)c(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 916665255 QDSFVDOXSXTSDP-UHFFFAOYSA-N 441.465 4.107 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)NC(=O)C(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 916792340 KKZMVVPLFINPMD-UHFFFAOYSA-N 444.896 4.194 5 20 IIBD COC(=O)Nc1ccc(OC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 917055914 HDLIGIQSXDKBKN-UHFFFAOYSA-N 427.335 4.200 5 20 IIBD C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c2ccccc2S1 917859744 XGJWBNRNLDCEQL-NSHDSACASA-N 443.344 4.437 5 20 IIBD CC(C)Oc1ccc([C@@H](C)NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])cc1 917904857 LMOAXIJNWDYWGI-GFCCVEGCSA-N 443.319 4.184 5 20 IIBD CC1=C(C(=O)OCc2ccccc2)[C@@H](c2csc([N+](=O)[O-])c2)NC(=O)N1CC1CC1 918074785 DNISOXSQZAZSOK-LJQANCHMSA-N 427.482 4.150 5 20 IIBD COc1ccc(CCC(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cc1 918636159 DXURSNIARWPGSD-HXUWFJFHSA-N 440.496 4.164 5 20 IIBD C[C@@H](c1cc2ccccc2o1)N(C)C(=O)COC(=O)CSc1ccc([N+](=O)[O-])cc1 919038744 UXGQEUTUPLBNDT-AWEZNQCLSA-N 428.466 4.196 5 20 IIBD CCN(C(=O)COC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1nc2ccccc2s1 919214627 VOGQNLHAEPTJAN-UHFFFAOYSA-N 425.422 4.161 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(OCC(F)(F)F)cc1 920321467 LLHNFPNQKNYCCC-JTQLQIEISA-N 445.781 4.005 5 20 IIBD COc1ccc(OC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccn2)c([N+](=O)[O-])c1 920816141 IORVLYCQZIEUQX-UHFFFAOYSA-N 445.435 4.137 5 20 IIBD CC(=O)Nc1ccc(NC(=O)COc2cc(Cl)ccc2[N+](=O)[O-])c(C(F)(F)F)c1 920993084 LFIIOFVIXLNNKW-UHFFFAOYSA-N 431.754 4.243 5 20 IIBD CC(C)(C)OC(=O)N1CCC(c2nnc(-c3ccc([N+](=O)[O-])c4cccnc34)o2)CC1 1324205433 UDQSPSMQTLBXSD-UHFFFAOYSA-N 425.445 4.308 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@@H]3CCCCO3)cc2)CCC1)c1cccc(F)c1[N+](=O)[O-] 1785890024 LWGHGHKNHDTTPP-IBGZPJMESA-N 441.459 4.051 5 20 IIBD Cn1cccc1C(=O)Nc1ccc(C2(NC(=O)c3cccc(F)c3[N+](=O)[O-])CCC2)cc1 1787264552 YHCNPIBSZQTLAY-UHFFFAOYSA-N 436.443 4.134 5 20 IIBD C/C=C(/C)C(=O)Nc1ccc(C2(NC(=O)c3cc([N+](=O)[O-])ccc3N(C)C)CCC2)cc1 1791227117 PKEHGMHPWGDPQR-BNCCVWRVSA-N 436.512 4.375 5 20 IIBD Cc1csc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)C3)c1 1793747110 TXYYFTJCHPZUOB-MUJYYYPQSA-N 447.944 4.492 5 20 IIBD CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 1814845202 XHUIEKMQNVFJIE-INIZCTEOSA-N 433.896 4.006 5 20 IIBD O=C(COC(=O)CCc1c[nH]c2ccccc12)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 8650259 HSAOIKMLXIOBFF-UHFFFAOYSA-N 435.358 4.209 5 20 IIBD O=C(COC(=O)CCc1ccc(Cl)cc1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 12950638 YAUHJPMFZSCBMB-UHFFFAOYSA-N 430.766 4.382 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 14503999 UVOUXLVGQWQJMX-UHFFFAOYSA-N 442.475 4.445 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl 16013288 JNOIPBIKANQXHB-UHFFFAOYSA-N 440.681 4.030 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2sc(-c3ccccc3)nc2C)c([N+](=O)[O-])c1 18462563 PWUROBDPYDQIJB-CYBMUJFWSA-N 441.465 4.219 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCC(=O)c1ccc(F)cc1F 18968755 NVSJLQRYNXTNQH-UHFFFAOYSA-N 432.301 4.120 5 20 IIBD O=C(CSc1nc2ccccc2c(=O)n1C1CCCC1)Nc1cc([N+](=O)[O-])ccc1F 20862250 STQWDWQAQGRHFA-UHFFFAOYSA-N 442.472 4.290 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 26119901 QHXJBRAQQFQAEV-UHFFFAOYSA-N 428.828 4.290 5 20 IIBD O=C(OCc1nc(-c2cccc(Br)c2)no1)c1cc(Cl)ccc1[N+](=O)[O-] 26909446 NJGUHGFLIBKZKB-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccccc2Br)n[nH]1 28806432 LLGFEDDEEUGPJW-UHFFFAOYSA-N 448.302 4.182 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(OC3CCCC3)c2)cc1OC 29360890 IVRZOJLJTIMHJL-UHFFFAOYSA-N 430.457 4.202 5 20 IIBD COc1ccc([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1Br 30428766 OFSWAHQDQLEIQX-SECBINFHSA-N 449.710 4.059 5 20 IIBD C[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(OCc2cccnc2)cc1 32679111 KMENTHBQEWMGQA-QGZVFWFLSA-N 443.463 4.246 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3cccc(Oc4cnccn4)c3)cc2)c(C)c1[N+](=O)[O-] 33136915 KBKXXMRYNNPYON-UHFFFAOYSA-N 444.451 4.291 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 58870278 QTRJWIUSBRDHJF-UHFFFAOYSA-N 432.461 4.186 5 20 IIBD COc1c(C)cnc(CN(C)C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C 58956920 AXXHUHJLQZKAJY-UHFFFAOYSA-N 440.422 4.095 5 20 IIBD CCOc1c(Cl)cc(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1OC 59781240 MLXKUZPZYDIPTQ-UHFFFAOYSA-N 433.892 4.186 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@H]1CCCN(Cc2cccs2)C1 64521703 FYICPEKYIPKKBC-LJQANCHMSA-N 445.588 4.245 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCN(c2ncccc2Cl)CC1 65088823 XWQHWZHNOUMMPC-UHFFFAOYSA-N 438.871 4.398 5 20 IIBD COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2I)cc1Cl 72068411 PKFDAZBFQBRWQK-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N(Cc1ccco1)Cc1ccco1 105543810 MNNJTLWYCOSIKD-UHFFFAOYSA-N 430.360 4.281 5 20 IIBD O=C1[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1c1ccc(Cl)cc1 237702698 SKEMCRAFKUKTSA-SFHVURJKSA-N 428.901 4.267 5 20 IIBD C[C@@H]1C[C@@H](Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CCN1Cc1ccccc1 301557839 SXJNPADGSZHBSX-XLIONFOSSA-N 433.512 4.024 5 20 IIBD O=c1c(Cl)c(N[C@@H]2CCO[C@@H](c3ccccc3)C2)cnn1-c1ccc([N+](=O)[O-])cc1 302157639 FUYCHWKHQDWOTR-DNVCBOLYSA-N 426.860 4.126 5 20 IIBD Cc1cc(NCc2ccccc2S(=O)(=O)NC(C)(C)C)c2cc([N+](=O)[O-])ccc2n1 302203385 VYOBNIQMYSKPDC-UHFFFAOYSA-N 428.514 4.140 5 20 IIBD CC(C)(CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1Cl 303451041 JOAIIYWCNMJSDF-OAHLLOKOSA-N 435.933 4.008 5 20 IIBD COc1ccc(CSCC(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)cc1[N+](=O)[O-] 303689988 MJNVPCOUFGKYTD-KRWDZBQOSA-N 443.569 4.178 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O 303832906 HASZHZJPYHNKHA-CXAGYDPISA-N 433.917 4.041 5 20 IIBD COc1ccc(C[C@H](C)CNC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1OC 409536777 RIRFWCWBHWJFEQ-JTQLQIEISA-N 443.319 4.045 5 20 IIBD CCc1ccc([C@H]2COCCN2C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)o1 426274128 BANKFBGMAVRVAG-MRXNPFEDSA-N 427.379 4.052 5 20 IIBD CC(C)(NCc1noc(Cc2ccc(Br)cc2)n1)c1ccccc1[N+](=O)[O-] 429269080 UJJVJBNNTJSVMN-UHFFFAOYSA-N 431.290 4.356 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccnn1Cc1ccc(C(F)(F)F)cc1 429526734 JVEDSGRCTBLJPM-UHFFFAOYSA-N 449.389 4.189 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2C(=O)N(C)[C@H]2CC[C@@H](C)C2)c1 430466065 RSMSWJSATWMJRH-PBHICJAKSA-N 445.541 4.273 5 20 IIBD O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1cc(Br)cc([N+](=O)[O-])c1 431937768 MCASOMNUEBROSI-HNNXBMFYSA-N 439.237 4.307 5 20 IIBD CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1C 438930213 JRSSBYZCZVFWGG-UHFFFAOYSA-N 425.485 4.109 5 20 IIBD C[C@@H]1CSc2ccccc2N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 439145021 YJNIYLMGMLWWQZ-SNVBAGLBSA-N 429.317 4.047 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CCCOc1ccccc1)C1CCOCC1 439869798 KKCMXGZGFMWWRB-UHFFFAOYSA-N 443.500 4.476 5 20 IIBD O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CC[C@H](OCCN2CCCC2)C1 443799734 CVDXXDWJBHWUBM-FQEVSTJZSA-N 441.553 4.073 5 20 IIBD Cc1ccc(-n2nc(NC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)cc2C)cc1 444282648 BEMKNYRHZMSXDU-UHFFFAOYSA-N 426.451 4.875 5 20 IIBD CCc1[nH]nc(C(=O)N[C@H](CC2CC2)c2cc(F)cc(Br)c2)c1[N+](=O)[O-] 444354134 TXORMUNYOYSHDP-CQSZACIVSA-N 425.258 4.053 5 20 IIBD CC(C)Oc1ccc(NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])c(Cl)c1 444521523 MRJHVPZQWPHIBU-UHFFFAOYSA-N 426.256 4.057 5 20 IIBD C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444630283 GFAUQUJNTJFHJO-LLVKDONJSA-N 441.900 4.470 5 20 IIBD C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 444713976 IKEMDENOCPVOKU-JLTOFOAXSA-N 431.876 4.008 5 20 IIBD CCOc1ccc(NC(=O)CN[C@@H](C)c2ccc(Br)s2)c([N+](=O)[O-])c1 444759178 FPMRLFORTZOFCK-JTQLQIEISA-N 428.308 4.107 5 20 IIBD Cc1ccc([C@H](C)NC(=O)Nc2cc(Br)cnc2-n2cccn2)cc1[N+](=O)[O-] 444911450 IARVONGFOSGFIG-LBPRGKRZSA-N 445.277 4.129 5 20 IIBD CCn1c([C@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)nc2ccccc21 446052252 IQXDBDZDIBITPN-LBPRGKRZSA-N 431.290 4.147 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1 446104589 VBXQPYAENNULNG-UHFFFAOYSA-N 447.419 4.235 5 20 IIBD COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)CCc1cccc([N+](=O)[O-])c1 446155483 DVNCBZGBPBKSMS-SFHVURJKSA-N 425.268 4.207 5 20 IIBD CCCOc1cc(NC(=O)C(=O)Nc2cc(C)cc(C)c2)c([N+](=O)[O-])cc1OCCC 446415311 BRJDRJXWMRQWQS-UHFFFAOYSA-N 429.473 4.366 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1cc2c(cc1Br)CCC2 446425806 MAJSDMVKOLRZNZ-UHFFFAOYSA-N 430.262 4.044 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N3CCCC[C@H]3C[C@H](C)O)c([N+](=O)[O-])c2)c(C)c1 447812008 PVIWIDRYBAERFW-ROUUACIJSA-N 447.557 4.142 5 20 IIBD Cc1ccc(-c2csc(NC(=O)c3ccc(O[C@H]4CCOC4)cc3)n2)cc1[N+](=O)[O-] 448126860 DZPYGRIPLQBGMK-KRWDZBQOSA-N 425.466 4.447 5 20 IIBD Cc1cccc(C(=O)N2CCCN(c3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)CC2)c1 462485368 NDIJUITYALMFSC-UHFFFAOYSA-N 446.507 4.230 5 20 IIBD COc1ccc(COCc2cccc(NC(=O)CN(C)c3ccccc3[N+](=O)[O-])c2)cc1 463646954 CJCGWXHERGCSBG-UHFFFAOYSA-N 435.480 4.395 5 20 IIBD O=C(CCc1nc2cc(Br)ccc2s1)N1CCc2c1cccc2[N+](=O)[O-] 463675292 FARSNDWYAIQFAQ-UHFFFAOYSA-N 432.299 4.489 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])N1CCc2c(Br)ccc(Cl)c2C1 464174659 IETOYENUQHLXAN-UHFFFAOYSA-N 439.693 4.365 5 20 IIBD O=C(NCc1ccco1)c1cccc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 464776785 OMMIFYASPZUKQM-UHFFFAOYSA-N 435.480 4.161 5 20 IIBD COc1cc(S(=O)(=O)Nc2ccc(OC(C)C)cc2C(F)(F)F)ccc1[N+](=O)[O-] 469036984 RDUWNYUKWXRPHA-UHFFFAOYSA-N 434.392 4.210 5 20 IIBD COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 470373116 MJPRKYHPXFXKRY-ZDUSSCGKSA-N 430.848 4.100 5 20 IIBD Cc1cc(C(=O)N[C@@H](C)c2nc(-c3ccc(Br)cc3)no2)ccc1[N+](=O)[O-] 472601325 FAGQEDDBHPREPT-NSHDSACASA-N 431.246 4.207 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1 475578204 NCPOXLWVTMKPDH-FQEVSTJZSA-N 432.908 4.060 5 20 IIBD Cc1c(NC(=O)N(C)C)cccc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 475825868 MRRUOAGCSZMTFI-UHFFFAOYSA-N 447.300 4.104 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CCC(c2ccc(Cl)cc2)CC1 476476958 PAEUDBTYMXZUJZ-UHFFFAOYSA-N 429.904 4.105 5 20 IIBD Cc1nc(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c(Cl)cc1Cl 481960456 DBOJXTSSUPIAHJ-UHFFFAOYSA-N 441.090 4.168 5 20 IIBD COC(=O)c1cc(OCC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1[N+](=O)[O-] 481966013 ZGISPDYWQLBKQN-HXUWFJFHSA-N 440.496 4.421 5 20 IIBD COC(=O)c1ccc(N2CCCC2)c(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 482930946 LNAFDEYEMVCVEO-UHFFFAOYSA-N 438.484 4.178 5 20 IIBD Cc1ccc(Br)cc1CNC(=O)c1sc(Br)cc1[N+](=O)[O-] 485681939 DAWTYLKSLBMJIR-UHFFFAOYSA-N 434.109 4.420 5 20 IIBD Cc1c(Cl)cccc1NC(=O)CCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 488003168 AFGFRFGOXXAYDA-UHFFFAOYSA-N 439.299 4.081 5 20 IIBD O=C(Nc1cc(Cl)ccc1N1CCSCC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 488646805 XZBAEMXNSWYSCU-UHFFFAOYSA-N 443.916 4.239 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C 489126343 IBUGCQCYLICMDP-UHFFFAOYSA-N 426.498 4.350 5 20 IIBD CCn1c(S[C@H](C(=O)NC2CCCCC2)C(C)C)nnc1-c1ccc([N+](=O)[O-])cc1 489434168 HZUNNYVVQPUMNG-SFHVURJKSA-N 431.562 4.439 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)cc1SC 491565119 STOZCZXBZHDMKN-CYBMUJFWSA-N 425.510 4.402 5 20 IIBD O=C(c1nn(-c2ccccc2C(F)(F)F)cc1O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 494168526 OQHDFDOFQNPISE-UHFFFAOYSA-N 446.385 4.310 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)cc1[N+](=O)[O-] 495242993 KMLJCTVIADIQKQ-GFCCVEGCSA-N 434.378 4.385 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc(/C=C/c2ccco2)s1 497456714 BSLKBGAOKXLCBC-FNORWQNLSA-N 432.483 4.201 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)cc1OC 499105388 IKQCHJAXXBWBQI-UHFFFAOYSA-N 434.876 4.087 5 20 IIBD C[C@@H](Cc1ccc(Br)cc1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 499136881 YYESYIVSSYZFKL-LBPRGKRZSA-N 435.274 4.336 5 20 IIBD Cc1ccc([C@@H](C)N(C)C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c(C)c1 499269893 FOLIDZFHPYDCOK-OAHLLOKOSA-N 425.514 4.325 5 20 IIBD CC(=O)NCCN(Cc1ccc(Br)s1)Cc1ccc([N+](=O)[O-])cc1Cl 503200245 HAZXNDUTYHAUNM-UHFFFAOYSA-N 446.754 4.211 5 20 IIBD Cc1ccc(S(=O)(=O)NCc2ccccc2COCc2ccccc2)c([N+](=O)[O-])c1 507414898 RHHPPSKMLWYSBY-UHFFFAOYSA-N 426.494 4.099 5 20 IIBD CN(Cc1cccc(NS(=O)(=O)c2ccccc2)c1)Cc1c(F)cccc1[N+](=O)[O-] 507845776 DARDLIUGUVSGEB-UHFFFAOYSA-N 429.473 4.167 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCN(c2cncc3ccccc23)CC1 507899779 ACUAFKRHTQXOGP-UHFFFAOYSA-N 434.499 4.192 5 20 IIBD NC(=O)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)c1ccccc1 512378378 OTVFGSAJPCKFCI-LJQANCHMSA-N 427.526 4.224 5 20 IIBD COc1ccc(CN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)[C@@H](C)C2CC2)c(OC)c1 512545527 PFVMHVPPDXGASH-AWEZNQCLSA-N 444.484 4.070 5 20 IIBD CCOC(=O)[C@H](C)[C@H](C)N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 514233052 UPKFEVGNDZNJSA-BIENJYKASA-N 433.892 4.105 5 20 IIBD Cc1ccc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccsc2)cc1[N+](=O)[O-] 516741315 RYEJPVAJWRQPLA-SFHVURJKSA-N 429.885 4.462 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)c1C 517606928 FUQLNRWGCSKZLD-UHFFFAOYSA-N 436.493 4.410 5 20 IIBD CC(C)N(C)C(=O)c1ccc(Cl)c(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 517688452 GVRHMIZPOINIHH-UHFFFAOYSA-N 429.864 4.391 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1I 520437512 USUDSKOZSJCFNZ-VIFPVBQESA-N 446.628 4.259 5 20 IIBD COc1ccc(CNC(=O)N(Cc2ccc3c(c2)OCO3)C2CCCCC2)cc1[N+](=O)[O-] 522317962 KVPGUBVPYYCMLU-UHFFFAOYSA-N 441.484 4.377 5 20 IIBD O=C(CCN1CCCCC1)Nc1cccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1 522873054 DMIBWVUWMQFGRA-UHFFFAOYSA-N 430.892 4.315 5 20 IIBD O=C(NC[C@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1)Nc1cccc(F)c1 522881019 HRLSSFCNWOIDGE-CYBMUJFWSA-N 434.855 4.061 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 523185363 FFKHHRSLBSVKOD-UHFFFAOYSA-N 446.257 4.171 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccc(N2CCCCCC2)nc1 523978105 YWTAKPTYHUVRNN-UHFFFAOYSA-N 432.908 4.109 5 20 IIBD O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1c(Cl)cccc1[N+](=O)[O-] 524368802 ULGDRBRJIWTEMO-NSHDSACASA-N 429.782 4.156 5 20 IIBD COCCc1noc(-c2cc(Cl)ccc2NC(=O)CCc2cccc([N+](=O)[O-])c2)n1 530793615 MPQNULXVTMHSDI-UHFFFAOYSA-N 430.848 4.058 5 20 IIBD O=C(NC1CC1)c1ccc(CN(Cc2ccco2)C(=O)c2ccc([N+](=O)[O-])cc2F)cc1 531335309 UXBRJBCVYAMBNE-UHFFFAOYSA-N 437.427 4.062 5 20 IIBD CCOc1ccc(NC(=O)CSc2nnc(C)n2[C@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 533886782 YFVYEDHHUBWRBP-HIFRSBDPSA-N 433.534 4.375 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cc(Cl)ccc1N1CCSCC1 534694116 BYCNKCHCLXRLFK-UHFFFAOYSA-N 430.917 4.464 5 20 IIBD O=C(NC1(c2cccc(Br)c2)CCOCC1)c1c[nH]c2cccc([N+](=O)[O-])c12 536477839 VVALCNJSYDNEKS-UHFFFAOYSA-N 444.285 4.274 5 20 IIBD CN(C(=O)Cc1csc(-c2ccccn2)n1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 538251857 OFEUMPATNVLQJF-UHFFFAOYSA-N 437.506 4.442 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCOc2cc(F)ccc21 538590761 SEBXKTGWTABRIV-KRWDZBQOSA-N 448.472 4.033 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O 539292040 IVPZLJQPYNBGIB-INIZCTEOSA-N 433.917 4.284 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 539636625 XKDBASYNXWMGPC-UHFFFAOYSA-N 443.525 4.212 5 20 IIBD COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 540480605 PHWXAHLBZGLYAC-LLVKDONJSA-N 440.283 4.286 5 20 IIBD O=C(NCc1nccn1CCc1ccccc1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 540587217 BMMVUIPFIQJWLF-UHFFFAOYSA-N 427.464 4.026 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc(C)c(OCC2CCOCC2)c1 542402142 CEZLCMQJLVGIDO-UHFFFAOYSA-N 429.473 4.039 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 542993944 CATJAAJTBXFXPH-GOSISDBHSA-N 431.370 4.376 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(CN2CCOCC2)c(Cl)c1 543204818 YCSBGHRLTLBBEB-CQSZACIVSA-N 435.933 4.200 5 20 IIBD Cn1c(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)nnc1C1CC1 544647702 KPXSWPXFHBQKEV-UHFFFAOYSA-N 443.916 4.335 5 20 IIBD CCCc1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cnn1-c1cc(C)ccn1 544876290 VCKOTAGNHALKBR-CQSZACIVSA-N 443.891 4.496 5 20 IIBD CCN([C@@H](c1cccnc1)c1ccc(F)cc1F)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] 545363344 HGLPCGRMPIVYOL-NRFANRHFSA-N 447.463 4.209 5 20 IIBD O=C1C[C@H](c2noc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2)CN1Cc1ccccc1 546547121 BPHMRKQNKAGEBO-AWEZNQCLSA-N 432.358 4.180 5 20 IIBD COc1cc(Cc2nc3cc(-c4ccc(F)cc4)sc3c(=O)[nH]2)c([N+](=O)[O-])c(OC)c1 546611573 PRZVIYCUWIOYAS-UHFFFAOYSA-N 441.440 4.307 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCC=C(c3cccnc3)C2)cc1[N+](=O)[O-])c1ccccn1 552059424 AHHSQVZQFFYHIM-KRWDZBQOSA-N 429.480 4.487 5 20 IIBD CN(C)[C@@H](CN[C@H](c1ccc([N+](=O)[O-])cc1)c1nccn1C)c1cccc(C(F)(F)F)c1 552066427 JFVKRFUCJDLZMG-VQTJNVASSA-N 447.461 4.329 5 20 IIBD COc1ccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)C2=O)c(OC)c1 553364069 CHVLWZMDIFULFD-SFHVURJKSA-N 443.500 4.002 5 20 IIBD O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CC[C@@H](CC2CC2)C1 554638065 YYSFUGHOJBASLO-HNNXBMFYSA-N 425.451 4.479 5 20 IIBD C[C@@H](NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1noc(-c2ccc(Cl)cc2)n1 558911249 AIVVVLVWPVTFDO-CYBMUJFWSA-N 429.864 4.243 5 20 IIBD O=C(Nc1ccc(F)c(N2C(=O)CCC2=O)c1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 564646913 UMDGZMMLICMNRF-UHFFFAOYSA-N 449.394 4.432 5 20 IIBD COc1ccc(C[C@@](C)(O)CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1OC 570977875 JIDNNHBWNQKTTC-HSZRJFAPSA-N 442.537 4.424 5 20 IIBD CC(C)c1[nH]nc(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c1[N+](=O)[O-] 572386019 ORSNFBOZVPTRFY-MRXNPFEDSA-N 440.422 4.358 5 20 IIBD O=C(Nc1cc(F)c(Cl)cc1N1CCOCC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 574552401 VASQUUZKLFRMPH-UHFFFAOYSA-N 448.882 4.420 5 20 IIBD COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 583849259 RTUGVCRONGUWQV-APPDUMDISA-N 425.268 4.378 5 20 IIBD O=c1c(Cl)c(N2CC[C@H](Oc3ccc(Cl)cc3)C2)cnn1-c1ccc([N+](=O)[O-])cc1 584398565 YSDACHDBZVXHQP-KRWDZBQOSA-N 447.278 4.105 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC(Cc2cccc(C(F)(F)F)c2)C1 590422758 MOTAIWSVQQMQSF-UHFFFAOYSA-N 430.386 4.114 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccc(N(C)C)nc1 603563324 BSWKUHNIZHQJNX-UHFFFAOYSA-N 440.481 4.213 5 20 IIBD Cc1ccc(NC(=O)CNc2cc([N+](=O)[O-])ccc2OC(F)F)c(Br)c1 604006239 ZDDMGPVGNZZUFJ-UHFFFAOYSA-N 430.205 4.318 5 20 IIBD COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1Nc1ccccc1 604114647 LHCCMEDMSJHWLK-UHFFFAOYSA-N 445.453 4.136 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C 604447206 RNRIQWBZRPIPPX-KZULUSFZSA-N 449.294 4.308 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1 604510759 UMDOYVIEZRZEOU-UHFFFAOYSA-N 442.479 4.184 5 20 IIBD O=C(NC[C@H]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1)Nc1cccc(F)c1 608866432 OLXQOHUTIXSMPB-CYBMUJFWSA-N 434.855 4.061 5 20 IIBD Cc1c(NC(=O)[C@H]2CSCN2C(=O)c2ccc(C(C)(C)C)cc2)cccc1[N+](=O)[O-] 609054619 BZVXAYHVAFXVNY-LJQANCHMSA-N 427.526 4.355 5 20 IIBD Cc1cc(Br)cc2c1N(C(=O)c1cnn(-c3ccc([N+](=O)[O-])cc3)c1)CCC2 609102832 XQQAFGLPSPWHLX-UHFFFAOYSA-N 441.285 4.444 5 20 IIBD CN(Cc1ccccc1Br)C(=O)CCNc1ccc([N+](=O)[O-])c2cnccc12 609513020 FSORZXPXMSAOKO-UHFFFAOYSA-N 443.301 4.366 5 20 IIBD CC[C@@H](C)NC(=O)c1ccc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c(C)c1 609725319 YJACVGIOLIXCCX-CQSZACIVSA-N 433.892 4.493 5 20 IIBD COc1ccnc(N2CCN(C(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)CC2)c1 609773005 MFPACAWKXOKCNF-UHFFFAOYSA-N 449.467 4.145 5 20 IIBD CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 610154622 JLTVKBPMPIRCKJ-BEVDRBHNSA-N 429.904 4.404 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1NCc1nc2cc(Br)cnc2[nH]1 610210882 HGCVPSGXXMVJQE-UHFFFAOYSA-N 427.056 4.003 5 20 IIBD O=[N+]([O-])c1ccc([C@H]2SCCN2S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)cc1 611222566 DLUASRAKCLVRLM-MRXNPFEDSA-N 448.444 4.071 5 20 IIBD C[C@H]1CN(c2ccc(C(=O)N(CC3CC3)c3ccc(Cl)c([N+](=O)[O-])c3)cn2)C[C@@H](C)O1 728165003 GDELTUJHOKPZLW-GASCZTMLSA-N 444.919 4.314 5 20 IIBD O=C(NC[C@@H]1CCCN(c2nc3ccc([N+](=O)[O-])cc3s2)C1)Nc1cccc(F)c1 731210339 WCTPQMDCAQOAPF-ZDUSSCGKSA-N 429.477 4.382 5 20 IIBD CCc1cccc2c(C3CCN(C(=O)COc4ccc(C=O)cc4[N+](=O)[O-])CC3)c[nH]c12 731614272 RMJLGUTZYHPYAO-UHFFFAOYSA-N 435.480 4.236 5 20 IIBD COc1cc(C(=O)OCCc2ccc(F)cc2)c([N+](=O)[O-])cc1OCc1cscn1 732518144 JVNNWKFXSDYNJG-UHFFFAOYSA-N 432.429 4.178 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)Oc1cc([N+](=O)[O-])c(Cl)cc1C 735790784 DDRXAOIRYUZCDY-MRXNPFEDSA-N 436.917 4.322 5 20 IIBD Cc1ccc(NCCCNC(=O)Nc2ccc(N3CCSCC3)cc2)c([N+](=O)[O-])c1 743187779 BNIRTOOEEIADDV-UHFFFAOYSA-N 429.546 4.080 5 20 IIBD C[C@H](CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)CC1(C)OCCO1 743491458 MHAKDXLHUOXZFW-HNNXBMFYSA-N 447.919 4.379 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@H]3C[C@@H]3c3cccc(F)c3F)CC2)ccc1[N+](=O)[O-] 744175954 WNCCTSVCKKPBIR-SJORKVTESA-N 432.423 4.197 5 20 IIBD Cn1cc(C(=O)OCc2ccccc2OCC(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 744845818 WXONQJUQSXVNSR-UHFFFAOYSA-N 435.358 4.293 5 20 IIBD COc1ccc(OCCOC(=O)c2csc(Cc3ccc(F)cc3)n2)c([N+](=O)[O-])c1 744933631 WEVRTUZXUCRBLI-UHFFFAOYSA-N 432.429 4.026 5 20 IIBD O=C(COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(C(F)(F)F)c1 745564427 BWXVDJJKOSBVLH-UHFFFAOYSA-N 436.264 4.428 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1C[C@H]1c1ccc(Br)cc1 748908976 FHNFJRQAAGQHJF-DLBZAZTESA-N 434.242 4.071 5 20 IIBD Cc1c(C(=O)NCc2ccnc(OC3CCCCC3)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 749532989 CYUUPZAYIVPQRZ-UHFFFAOYSA-N 428.445 4.156 5 20 IIBD O=C(N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1cccc(Cl)c1[N+](=O)[O-] 749990134 NUQSECBBWBJROZ-AWEZNQCLSA-N 426.275 4.435 5 20 IIBD Cc1nc2ccc(C(=O)N3CCc4c(Br)ccc([N+](=O)[O-])c4C3)cc2nc1C 750663505 OYOJJYHVQPMWBP-UHFFFAOYSA-N 441.285 4.116 5 20 IIBD O=C(NCc1ccccc1Cn1ccnc1)c1cc(Br)cc([N+](=O)[O-])c1Cl 750829619 QTXKHVVFTGTMAT-UHFFFAOYSA-N 449.692 4.186 5 20 IIBD O=C(OCc1cc(F)ccc1[N+](=O)[O-])C1(c2ccc(Br)cc2)CCOCC1 751109766 CONKRYORZJEFOG-UHFFFAOYSA-N 438.249 4.288 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 751164356 ISOSBAWUDSFJQN-PMPSAXMXSA-N 437.562 4.227 5 20 IIBD O=C(CC[C@H]1CCOC1)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 751714862 RVRMELCMGOBVOY-VBKZILBWSA-N 432.860 4.288 5 20 IIBD COc1c([N+](=O)[O-])cc(N[C@@H](C)C[C@H](O)c2cccs2)c([N+](=O)[O-])c1Br 751943849 YXGGRQCRJDDFFM-KWQFWETISA-N 446.279 4.260 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC(c2noc3cc(F)ccc23)CC1 753020804 IOKKQTZWNDGVGB-UHFFFAOYSA-N 438.459 4.495 5 20 IIBD COc1cc(C)cnc1C(=O)O[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 753552988 FHCOGERULGLAEV-OAQYLSRUSA-N 435.436 4.152 5 20 IIBD Cc1c(C(=O)Nc2cccc3c2CN(c2ccccn2)C3)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 757635684 XSNSCKNTIXWLRM-UHFFFAOYSA-N 433.424 4.287 5 20 IIBD COc1ccc(C(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1Cl 758446275 ATNFZJSRQQGYQY-VIFPVBQESA-N 442.649 4.448 5 20 IIBD CC(C)(C)C(=O)Nc1ccc(C(=O)COC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 758737762 UISWNAKNQMMOTJ-UHFFFAOYSA-N 437.452 4.029 5 20 IIBD CC(C)[C@@H]1CCCN1c1ccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1F 760421880 FPMIKIVHGNATBE-SFHVURJKSA-N 438.463 4.192 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 761110291 PHWNOFAUFZTHSV-VIFPVBQESA-N 440.243 4.151 5 20 IIBD O=C(N[C@@H](C(=O)O)c1ccc2ccccc2c1)c1cc(F)cc([N+](=O)[O-])c1Br 762212753 UCKLVPUUPGLHBW-QGZVFWFLSA-N 447.216 4.205 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(Cc2noc(COc3ccc([N+](=O)[O-])cc3)n2)cc1 762287696 TYJMKWHMPQHVBB-UHFFFAOYSA-N 426.429 4.495 5 20 IIBD CC[C@@H](C)n1ncc(NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1C1CC1 762477165 UTGGANIYPWNSFC-SNVBAGLBSA-N 443.323 4.203 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCS[C@@H](c2ccccc2)C1 762553261 XNUZXCWRAGKXDI-LJQANCHMSA-N 446.550 4.180 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 762952066 MDSSJJGCRCMKEJ-AWEZNQCLSA-N 439.428 4.094 5 20 IIBD COc1cc(OCC(=O)Nc2cccc(CC[C@H](O)c3ccccc3)c2)ccc1[N+](=O)[O-] 762990313 FQIXZFVVVRGBQA-QFIPXVFZSA-N 436.464 4.287 5 20 IIBD C[C@H](Cc1ccc(F)c(Br)c1)Nc1ccc([N+](=O)[O-])cc1N1CCOC1=O 765539942 LLSICYKPEDPSAP-LLVKDONJSA-N 438.253 4.496 5 20 IIBD CC(C)CCSc1ccc(C(=O)NS(=O)(=O)CCCC(F)(F)F)cc1[N+](=O)[O-] 766694998 WQZPMNISWHBTEG-UHFFFAOYSA-N 442.481 4.135 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC(OCc2ccccc2F)CC1 769162068 LDNOFQRGLQAGKI-UHFFFAOYSA-N 427.476 4.156 5 20 IIBD Cc1ccc(CNC(=O)C2CCN(C(=O)Nc3ccc([N+](=O)[O-])c(Cl)c3)CC2)cc1 770016357 NMNLLUATQABFCK-UHFFFAOYSA-N 430.892 4.117 5 20 IIBD C[C@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)CN1C(=O)OC(C)(C)C 771748242 CDFREFIRTVOEDF-KBPBESRZSA-N 446.529 4.188 5 20 IIBD Cc1noc(C)c1-c1csc(=Nc2ccc(C(N)=O)cc2)n1Cc1cccc([N+](=O)[O-])c1 771916431 OIHNDWSNIAZVIC-UHFFFAOYSA-N 449.492 4.109 5 20 IIBD Cc1nc([C@H](NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccc(Cl)cc2)no1 777304192 MYVVUBOKYXXWMN-HXUWFJFHSA-N 427.892 4.288 5 20 IIBD CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)cc1Cl 778244533 DOPVXMUYRIZGLN-UHFFFAOYSA-N 447.904 4.424 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2sc(C)nc2c1 781220520 FDCUUNHOXNIERJ-UHFFFAOYSA-N 431.495 4.420 5 20 IIBD Cc1ccc(NC(=O)COC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c(F)c1 781258932 WQGSKFVAWQPLQS-UHFFFAOYSA-N 440.377 4.203 5 20 IIBD C[C@@H](OC(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1)C(=O)Nc1ccccc1[N+](=O)[O-] 781438136 RUBQBUCLIFGFLQ-LLVKDONJSA-N 440.349 4.355 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N[C@@H](Cc1ccccc1)c1cccs1 783327951 ALXZTBOAPWRQJV-KRWDZBQOSA-N 429.885 4.348 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 784101615 GVDBYKMCNCVKNU-QWHCGFSZSA-N 443.953 4.102 5 20 IIBD CC(C)c1ccc(C(=O)OCC(=O)N[C@H](c2ccccc2)c2nccs2)cc1[N+](=O)[O-] 784258021 QPSAWOVXLVSEOU-HXUWFJFHSA-N 439.493 4.237 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)C[C@@H](C)c2c[nH]c3ccccc23)c([N+](=O)[O-])c1 787219434 XHAUKSYFNZYNTA-CQSZACIVSA-N 425.441 4.150 5 20 IIBD CN(Cc1cccs1)C(=O)COC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 787253908 XCDSKJBKQAOGIA-UHFFFAOYSA-N 440.477 4.051 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cc(NC(=O)CN3CCCC[C@H]3C)ccc2F)c1F 790250410 VRSZWZOMCBVXEK-CQSZACIVSA-N 446.454 4.247 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Oc2cccc(NC(=O)c3cccs3)c2)c1[N+](=O)[O-] 790853084 YOMCYLLGDZBRRO-UHFFFAOYSA-N 432.479 4.293 5 20 IIBD CC(C)N(C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1cnc2ccccc2c1 791029336 XYEABRWXRSCPPB-MRXNPFEDSA-N 436.443 4.077 5 20 IIBD CN(C)c1cc(F)c(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1[N+](=O)[O-] 791219177 RRNXONLVTZODOH-UHFFFAOYSA-N 428.445 4.366 5 20 IIBD C[C@H]1CN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 793707768 WEAUQYPJFTXKQH-LIRRHRJNSA-N 447.417 4.292 5 20 IIBD CN(Cc1ccc(Br)cc1Cl)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 794647121 ZZRQYPXBIDMUTL-UHFFFAOYSA-N 426.654 4.008 5 20 IIBD CCOC(=O)/C(=C\c1cnn(Cc2ccc(C(F)(F)F)cc2)c1)c1ccc([N+](=O)[O-])cn1 794951843 ZYSUNQLQGLNAOB-NVMNQCDNSA-N 446.385 4.357 5 20 IIBD C[C@H]1[C@H](c2ccccc2)CCN1CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O 795434599 DNNDDMWDYCAYPG-XJKSGUPXSA-N 430.302 4.149 5 20 IIBD COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Oc1cc(Cl)ccc1[N+](=O)[O-] 795810067 WNAAUMSBNLEEBP-UHFFFAOYSA-N 440.644 4.109 5 20 IIBD Cc1cc([C@H]2CCCN2C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])ccc1Br 797768049 KDYYRTMAHNWMRC-QGZVFWFLSA-N 447.285 4.221 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)[C@H](C)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 798786712 KXRNJJIPEOXSAI-GFCCVEGCSA-N 440.374 4.298 5 20 IIBD CC(C)(C)OC(=O)NCC[C@H]1CCCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 799581735 FNPFBEOTGSDHJC-QGZVFWFLSA-N 429.521 4.043 5 20 IIBD CCCc1noc2nc(CC)cc(C(=O)OCc3nc(-c4ccc([N+](=O)[O-])cc4)no3)c12 800324542 BNXJYRKDNRGCBA-UHFFFAOYSA-N 437.412 4.053 5 20 IIBD O=Cc1ccc(OCC(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)c([N+](=O)[O-])c1 800590116 LCZZRSIZZSBSCR-UHFFFAOYSA-N 432.738 4.019 5 20 IIBD COC[C@H](C)[C@@H](C)C(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 812633110 WEPSFZAKFAVICX-KSMMKXTCSA-N 434.876 4.390 5 20 IIBD O=C(Nc1ccccc1F)[C@H]1CSCN1C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 812989911 UEJYSXVUAVJUPB-CQSZACIVSA-N 444.271 4.195 5 20 IIBD O=C(Nc1ccccc1C(=O)NC[C@H]1CCCSC1)c1ccc([N+](=O)[O-])cc1Cl 813716746 JXGJTDPBAAYYKP-CYBMUJFWSA-N 433.917 4.374 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 814431573 MRVFVSVDTSVMPX-ROUUACIJSA-N 431.533 4.403 5 20 IIBD CN(C)c1cc(F)c(C(=O)OCC(=O)Nc2ccccc2-c2ccccc2)cc1[N+](=O)[O-] 814482069 JZAWZZAHDJTJOO-UHFFFAOYSA-N 437.427 4.262 5 20 IIBD O=C(COC(=O)CCc1cccc(Br)c1)Nc1ccc(Cl)cc1[N+](=O)[O-] 849209603 KILHVWJALGBOAK-UHFFFAOYSA-N 441.665 4.125 5 20 IIBD CCc1cccc(CC)c1NC(=O)[C@@H](C)OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 855086278 UFXUGOHHEIZHTF-OAHLLOKOSA-N 436.468 4.089 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)ccc1Cl 874435794 NNVJGHZQNPIVHN-UHFFFAOYSA-N 445.856 4.375 5 20 IIBD CC(C)[C@@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)N(C)c1ccccc1 877067707 LLVFZFUMIKQWLG-OAQYLSRUSA-N 425.485 4.039 5 20 IIBD CCOc1ccc(C(=O)O[C@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)cc1[N+](=O)[O-] 916655835 MDWMLJYDTYRHDY-MRXNPFEDSA-N 440.452 4.481 5 20 IIBD CCCC(=O)Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c1 917187856 NPJABCJYJOXSID-UHFFFAOYSA-N 438.528 4.500 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 917944001 TZWIPZBBAYIPLA-UHFFFAOYSA-N 439.255 4.238 5 20 IIBD CN(CCCCCc1cc(-c2ccccc2)n[nH]1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 918196612 YYEFAJZUZVQABK-UHFFFAOYSA-N 446.504 4.158 5 20 IIBD Cc1sc2ncnc(N3CCC(C(=O)OCc4cc(F)ccc4[N+](=O)[O-])CC3)c2c1C 918893435 IYIGGZUOTZSWKH-UHFFFAOYSA-N 444.488 4.315 5 20 IIBD Cc1c(COC(=O)/C(=C\c2cccs2)n2nnnc2-c2ccccc2)cccc1[N+](=O)[O-] 918923511 PABWYLMCRZVOBA-DEDYPNTBSA-N 447.476 4.360 5 20 IIBD C[C@@H](OC(=O)CCc1ccc(OC(F)F)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 919270354 JJMIWURZGXRQNJ-GFCCVEGCSA-N 433.367 4.483 5 20 IIBD O=C(OCCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cccc(NC(=O)C2CC2)c1 920146236 UCCGUHRRYLNUKX-UHFFFAOYSA-N 438.358 4.198 5 20 IIBD Cc1ccc(C)c(NC(=O)[C@H](OC(=O)CCn2cc([N+](=O)[O-])nc2C)c2ccccc2)c1 920906764 JPUXJXKVZWIYOE-JOCHJYFZSA-N 436.468 4.030 5 20 IIBD Cc1ccc(OCc2nnc(-c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)o2)cc1C 1117173654 NGPJFYWGNTVSFT-UHFFFAOYSA-N 438.469 4.120 5 20 IIBD COc1ccc(C(=O)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1-c1ccccc1 1318077609 FRKRDULRAOVJLU-UHFFFAOYSA-N 446.868 4.043 5 20 IIBD CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl 1319070236 DYERAPXBIBKDTP-UHFFFAOYSA-N 448.907 4.272 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CNC2CCN([C@H]3CCCC[C@H]3O)CC2)o1 1319840231 WOACXYWQMBQWDI-PZJWPPBQSA-N 433.936 4.366 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)Nc1ccc(C2(NC(=O)[C@]3(C)C[C@@H]3C)CCC2)cc1 1790809033 AYXGTQMLWCIFQA-NPMXOYFQSA-N 437.496 4.403 5 20 IIBD CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 1800349151 IYZIIVWFRRWYMU-DMUMMCEESA-N 439.487 4.180 5 20 IIBD Cc1cc(CCCC(=O)N2CCCC23CN(C(=O)C2CCCCC2)C3)c([N+](=O)[O-])cc1F 1841506427 OJKPVUCONCMGAB-UHFFFAOYSA-N 445.535 4.149 5 20 IIBD CCC1(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CCCc2cc(C)c(F)cc2[N+](=O)[O-])CCC1 1847714061 JFSSVTLHZNNLNC-PMACEKPBSA-N 445.535 4.147 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 10970328 XXFIIQBZNSOIEL-XCVCLJGOSA-N 436.493 4.207 5 20 IIBD C[C@H](OC(=O)CCc1ncc(-c2ccccc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 11942438 AMRJHZODWCROBB-ZDUSSCGKSA-N 443.843 4.406 5 20 IIBD CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1C 12697449 BSLMAWHAQIMESB-UHFFFAOYSA-N 447.538 4.401 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(C)cc1 15131038 RPODCUAXKILYIL-UHFFFAOYSA-N 427.482 4.325 5 20 IIBD O=C(Nc1ccccc1I)c1ccc(Br)c([N+](=O)[O-])c1 15418159 NCKOUEVECUVPMN-UHFFFAOYSA-N 447.026 4.214 5 20 IIBD O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 15767674 MUSBVVNSBGXBKR-UHFFFAOYSA-N 448.445 4.146 5 20 IIBD O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 15995695 JYIAPONHYCOCOO-UHFFFAOYSA-N 432.484 4.406 5 20 IIBD Cc1cccc2c(=O)[nH]c(COC(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)nc12 16254243 RFRMLGMLYRPESV-UHFFFAOYSA-N 444.447 4.109 5 20 IIBD CC(C)Cn1c(SCc2ccc(C(N)=O)cc2[N+](=O)[O-])nnc1-c1ccccc1F 16767097 IFRJCZBJLQCOFI-UHFFFAOYSA-N 429.477 4.040 5 20 IIBD COc1ccc(-c2nc(C)c(C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)s2)cc1 19619290 XQVWOGAGRVKUEO-CYBMUJFWSA-N 441.465 4.219 5 20 IIBD C[C@H](Oc1cccnc1[N+](=O)[O-])C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 21233912 KAKXSXNBEVDZMB-SUMWQHHRSA-N 440.843 4.381 5 20 IIBD CC[C@H]1CCCCN1C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(C)cs1 28832334 SOURISMEJHWQLH-AWEZNQCLSA-N 449.554 4.459 5 20 IIBD Cc1ccc(CNC(=O)c2cccc(CNC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)c2)cc1 58316794 VIHHYNOHGFRSRW-UHFFFAOYSA-N 442.475 4.245 5 20 IIBD Cc1cccc(C(=O)Nc2ccc(F)c(NS(=O)(=O)c3cccs3)c2)c1[N+](=O)[O-] 58380276 AQDSAVQMXHPAPZ-UHFFFAOYSA-N 435.458 4.157 5 20 IIBD O=C(Nc1ccc(Cl)cc1)N1CCCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 63490308 HYSXQTAXUQEGGZ-UHFFFAOYSA-N 441.875 4.110 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)NCC(C)(C)c2cccc(Cl)c2)cc1[N+](=O)[O-] 63624471 WZTDUMGLBOPFQV-UHFFFAOYSA-N 445.932 4.236 5 20 IIBD CCOc1cc(CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])ccc1OC(F)F 64113406 DEBBMOFDTNNURT-UHFFFAOYSA-N 446.410 4.172 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 64113711 INSFHADAJKQLEI-HNNXBMFYSA-N 439.903 4.151 5 20 IIBD Cc1cc(C(=O)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)c(C)n1CCc1ccccc1 72085997 TVENTNPEPHAZJB-UHFFFAOYSA-N 429.480 4.397 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CCCc3cc(OC(F)(F)F)ccc32)cc([N+](=O)[O-])c1 106218159 LQOPSBJQXWZUFY-UHFFFAOYSA-N 438.358 4.263 5 20 IIBD C[C@H](NC(=O)N1CCO[C@H](c2cccc(Br)c2)C1)c1cccc([N+](=O)[O-])c1 109813400 BUYJFRQIIUZJTC-UGSOOPFHSA-N 434.290 4.201 5 20 IIBD CCNC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2 207146860 OMQMGOLZKQZJOC-LGMDPLHJSA-N 445.475 4.313 5 20 IIBD O=C(Nc1cccc(CSC2CCOCC2)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 217221284 GNCSGAPIIQZCPI-UHFFFAOYSA-N 438.509 4.445 5 20 IIBD CN(C)[C@@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1ccc(Cl)cc1 301471284 JQJBSRBWCGLLSB-SFHVURJKSA-N 448.310 4.162 5 20 IIBD O=c1c(Cl)c(N[C@H]2CCO[C@H](c3ccccc3)C2)cnn1-c1ccc([N+](=O)[O-])cc1 302157641 FUYCHWKHQDWOTR-KXBFYZLASA-N 426.860 4.126 5 20 IIBD Cc1c(CNC(=O)c2cc(Br)ccc2Br)cccc1[N+](=O)[O-] 389481482 QBEHZOAVEDXVKU-UHFFFAOYSA-N 428.080 4.358 5 20 IIBD Cc1cc(NC(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc(C)c1Br 426181785 AZBANLVLTKVVLP-UHFFFAOYSA-N 446.301 4.104 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@H](C(=O)O)c3ccccc3)cc2[N+](=O)[O-])n1 426708777 MVEBCQJEHGSLSF-INIZCTEOSA-N 429.479 4.067 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H]3CN(Cc4ccccc4)CCCO3)cs2)c1 428550836 WDYFOWJXKRNTBY-JOCHJYFZSA-N 438.553 4.099 5 20 IIBD Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 429066400 TUIBSGKEVYWFQR-INIZCTEOSA-N 442.541 4.283 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 429351508 SNMUNDVUYBQNKF-HXUWFJFHSA-N 443.569 4.118 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3ccc(C[C@@H](C)C(=O)O)cc3)cc2[N+](=O)[O-])CC1 431990540 BNSIJUWEYJIBEB-MRXNPFEDSA-N 425.485 4.347 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1cc(C2CC2)nn1-c1ccccc1 432492349 ISCFJCMYBRYGRR-UHFFFAOYSA-N 429.436 4.224 5 20 IIBD CCc1c(-c2ccc(Br)cc2)n[nH]c1NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] 433763951 CMBBJIYKSWYVBV-UHFFFAOYSA-N 447.293 4.409 5 20 IIBD O=C(c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)N1CCCSc2ccc(Cl)cc21 435819118 PJRPZNHSUYIYSH-UHFFFAOYSA-N 445.884 4.044 5 20 IIBD C[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1cccc(N2CCCC2=O)c1 436304187 CXRFEKXEJVRAPG-INIZCTEOSA-N 425.488 4.299 5 20 IIBD O=C(NC[C@@H]1CCCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1)Nc1cccc(F)c1 436412441 RCEYIJIWEHIDRV-LBPRGKRZSA-N 441.385 4.186 5 20 IIBD C[C@@H](c1ccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1)N1CCOCC1 436421530 JBTSBZWVXPHXQW-INIZCTEOSA-N 445.494 4.466 5 20 IIBD Cc1cccc(Oc2cc(CNC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)ccn2)c1C 437135687 NXKFQTRMPFAMRF-UHFFFAOYSA-N 435.436 4.100 5 20 IIBD COc1cc(C(=O)N(C)C)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 438244159 QPZBYSSZBIOTHN-UHFFFAOYSA-N 448.479 4.170 5 20 IIBD O=[N+]([O-])c1ccc2nc(NC[C@H](c3ccccc3)c3c[nH]c4ccccc34)nc(O)c2c1 439129637 RJMHPGKFMFTGOF-LJQANCHMSA-N 425.448 4.969 5 20 IIBD CN(C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 440691338 JHTQREZDKAFROF-UHFFFAOYSA-N 442.518 4.426 5 20 IIBD O=C(NCCOc1ccc(C(F)(F)F)cn1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444228781 UQZPIBRZAJGMEJ-UHFFFAOYSA-N 445.372 4.043 5 20 IIBD CCc1[nH]nc(C(=O)N[C@@H](c2cccc(F)c2)c2cccc(Br)c2)c1[N+](=O)[O-] 444305285 SMURSDYDYYCIQB-MRXNPFEDSA-N 447.264 4.301 5 20 IIBD C[C@H](Sc1ccc(Br)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCOc2ccccc21 447350695 UASLRMPURJCQJF-SMDDNHRTSA-N 437.315 4.478 5 20 IIBD O=C(Cc1cccc(Cl)c1Cl)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 447537273 UJNJPRZIDBAZJC-UHFFFAOYSA-N 448.310 4.059 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 464219980 FHFHUCXWMSFMED-HNNXBMFYSA-N 427.457 4.430 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 464716652 VXZKWFGXPXWPSF-SFHVURJKSA-N 446.301 4.049 5 20 IIBD Cn1cnc([N+](=O)[O-])c1CNc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F 470544831 AZIFPGJCHXZLNU-UHFFFAOYSA-N 437.353 4.351 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 471443929 NTBBBZNIXFGWTA-XJKSGUPXSA-N 425.279 4.261 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1 474351616 LSGYWNWNPURVHK-GOSISDBHSA-N 448.451 4.179 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(SC)c(Cl)c2)cc1OC 474772903 YXBMLTVTFPHFNK-UHFFFAOYSA-N 426.878 4.256 5 20 IIBD COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2OC)cc1OCc1cn2ccccc2n1 475013775 BVFZBXGKNRATMB-UHFFFAOYSA-N 448.435 4.091 5 20 IIBD Cc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 477681123 URAQJMDYVVTIFI-HXUWFJFHSA-N 439.512 4.316 5 20 IIBD C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)cn1 477801691 RFOXXLMGTYJCGO-SECBINFHSA-N 430.711 4.375 5 20 IIBD COc1cc(CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C2CC2)ccc1OC(F)F 479640813 RBOLKJDFRWHRKW-UHFFFAOYSA-N 431.395 4.491 5 20 IIBD C[C@@H](NCc1ccccc1S(=O)(=O)N(C)C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 480310288 NXHQINMFCGUSNK-OAHLLOKOSA-N 445.566 4.424 5 20 IIBD CNC(=O)c1ccc(Sc2nnc(-c3cccs3)n2Cc2ccco2)c([N+](=O)[O-])c1 481841416 KVQXTCARKFDEGE-UHFFFAOYSA-N 441.494 4.067 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2nnc3ccccn23)CC1 481928565 CLNFWNBWAMESTA-UHFFFAOYSA-N 439.541 4.405 5 20 IIBD COc1cc(F)c([C@@H](C)NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1OC 485557413 VFNVHPSXALZZHA-SSDOTTSWSA-N 433.255 4.066 5 20 IIBD Cc1ccc(Cc2cnc(NC(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)s2)cc1F 485594438 CAVMVBLLIYVKCP-UHFFFAOYSA-N 444.492 4.155 5 20 IIBD CCOC(=O)CN(C(=O)c1sc(Br)cc1[N+](=O)[O-])[C@H](C)c1ccccc1 486428569 ZENPQQWOOFXQMT-LLVKDONJSA-N 441.303 4.185 5 20 IIBD Cc1cscc1CNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 487061186 XHFOWAVMHDPDEH-UHFFFAOYSA-N 445.522 4.004 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(OCCN(C)C)cc3)cc2[N+](=O)[O-])C1 488142609 MYZWNXHENOMTKL-HDICACEKSA-N 440.544 4.270 5 20 IIBD CC(C)(C)c1ccc(C(=O)N[C@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 488349764 OEXRRAYOBMGQSJ-FQEVSTJZSA-N 437.418 4.042 5 20 IIBD CCn1cc([C@@H]2NC(=O)CC[C@H]2N[C@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)cn1 488503113 UXBQFUOSQUZAPQ-SRVWHDFXSA-N 439.541 4.210 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CC)[C@@H]1CN(Cc2ccccc2)CCO1 489183086 ZUCXXNLXTAGBRG-SFTDATJTSA-N 443.569 4.116 5 20 IIBD NC(=O)c1ccc(F)c(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)c1 493099136 UOOZUYGHOJTKHA-UHFFFAOYSA-N 442.834 4.351 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 494415230 YEQFCJPJZLIGEM-HNNXBMFYSA-N 440.529 4.331 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cccc(-c2nnc3n2CCCCC3)c1 494569950 LLAOLHSNRSCMMD-UHFFFAOYSA-N 430.468 4.173 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C(F)F)ccc1Cl 499050615 CPYWSCJVZLBLNG-UHFFFAOYSA-N 425.819 4.263 5 20 IIBD CC[C@H](NC(=O)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1)c1cccc([N+](=O)[O-])c1 499108871 FXNQTERVBCWFIK-HFJQGTKSSA-N 439.516 4.145 5 20 IIBD COc1ccc(CN(Cc2ccccc2)C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 500599779 INOZQPTYFNJMCX-UHFFFAOYSA-N 436.464 4.463 5 20 IIBD Cc1nn(CC(=O)NCc2ccccc2COc2ccccc2)c2ccc([N+](=O)[O-])cc12 502840763 HBOBNIHSDURJDM-UHFFFAOYSA-N 430.464 4.148 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)cc1SC 505225662 SSTJTJMYLINPMH-ZWKOTPCHSA-N 432.498 4.260 5 20 IIBD COc1ccc(-c2nc(C)c([C@@H](C)NS(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)s2)cc1 506253564 IWBIZECIOCPLCE-CQSZACIVSA-N 447.538 4.216 5 20 IIBD CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc([N+](=O)[O-])cc1I 508943205 WONBAIDWKOQUBS-CQSZACIVSA-N 442.278 4.411 5 20 IIBD CCCOc1cc(NC(=O)N2CCC(N3CCCC3)CC2)c([N+](=O)[O-])cc1OCCC 509743849 CKPAAUVZKRNXGC-UHFFFAOYSA-N 434.537 4.265 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1csc(-c2ccoc2)n1 518133378 LZYNVMQERAFVLD-UHFFFAOYSA-N 426.376 4.172 5 20 IIBD Cc1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 519087736 PIXVFMBXNUOSJB-UHFFFAOYSA-N 433.873 4.379 5 20 IIBD CC(C)c1ccc(CN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C2CC2)cc1 521071412 KKSAEULSMYVAED-UHFFFAOYSA-N 429.904 4.293 5 20 IIBD C[C@H]1CO[C@H](c2ccccc2Cl)CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 522053955 UTQXNEJTKRVJLK-ZBEGNZNMSA-N 431.297 4.052 5 20 IIBD Cc1nc(-c2ccc(Br)cc2)c(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)n1C 524642258 REYYLUKRGLDEEZ-UHFFFAOYSA-N 433.237 4.458 5 20 IIBD C[C@@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 535205343 ICNQVFWNJDXGDQ-SSUCQYSQSA-N 443.447 4.030 5 20 IIBD CCC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 535499432 IKJBPJOHBBMUHG-INIZCTEOSA-N 447.557 4.119 5 20 IIBD COc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)cc([N+](=O)[O-])c1OC 540061322 MMEBPHVRIABTNR-UHFFFAOYSA-N 437.239 4.357 5 20 IIBD CSc1cc2c(cc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])OCCO2 543146556 MXZRTVLCKJPZGJ-UHFFFAOYSA-N 426.903 4.472 5 20 IIBD COc1ccc2c(c1)C[C@@H](C)N(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H]2C 543789668 MIQYSEUVSSCBHG-CHWSQXEVSA-N 433.302 4.443 5 20 IIBD CC(C)n1c([C@@H]2CCCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)nc2ccccc21 544071138 OOBNGKVEKFIUBP-MOPGFXCFSA-N 438.528 4.145 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1cc(C)nnc1CC 544694953 WYZZVOCFJKRUDN-UHFFFAOYSA-N 440.481 4.413 5 20 IIBD Cc1ccc(-c2noc(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)c(N2CCOCC2)c1 547178662 UYXLHZAJIFXHPO-UHFFFAOYSA-N 435.484 4.057 5 20 IIBD CC(C)n1nccc1[C@H]1OCC[C@@H]1NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 552531250 QWFUKTSYDGITMR-UGKGYDQZSA-N 435.484 4.376 5 20 IIBD C[C@H](c1ccccc1)[C@H](NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)C(N)=O 553089019 VXAUYWSQZOUKIZ-VFNWGFHPSA-N 435.505 4.133 5 20 IIBD O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N[C@H](c1ccccc1)C1CCCC1 556515377 SFNZNEKMUCDGJZ-GOSISDBHSA-N 446.301 4.344 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 560720848 OGEYFXTXLHNOCT-UHFFFAOYSA-N 428.876 4.322 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2c2nc(COc3ccc(Cl)cc3)no2)ccc1[N+](=O)[O-] 565140387 QOVOADRNXWQTSW-SFHVURJKSA-N 442.859 4.496 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 580958744 NZWBDUIRBOTFJH-SFHVURJKSA-N 431.855 4.244 5 20 IIBD COCCN(C(=O)COc1cc(C)ccc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603461443 USIWLURKUFJRSG-UHFFFAOYSA-N 441.509 4.394 5 20 IIBD COc1ccc2cc(CNC(=O)CSCc3ccc(OC)c([N+](=O)[O-])c3)ccc2c1 603567743 XKOADRSXPRQQHQ-UHFFFAOYSA-N 426.494 4.315 5 20 IIBD C[C@@H]1CCCN(c2nnc(SCCc3ccc([N+](=O)[O-])cc3)n2Cc2ccco2)C1 603724091 GKWHSWCPCMHRHA-MRXNPFEDSA-N 427.530 4.399 5 20 IIBD CC(=O)c1ccc(NC[C@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)c([N+](=O)[O-])c1 603860022 JJMONKWTLSZPIC-ZUOKHONESA-N 435.883 4.464 5 20 IIBD O=C(NCc1ccn(-c2ccccc2)n1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 604185547 AFJCGNYSLVFOIK-UHFFFAOYSA-N 427.464 4.323 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cc(C(N)=O)ccc3Cl)cc2[N+](=O)[O-])C1 609526752 XBZISMNYQOMZEG-BETUJISGSA-N 430.892 4.082 5 20 IIBD CCOc1cc2c(cc1CNC(=O)c1ccc([N+](=O)[O-])cc1Br)O[C@H](C)C2 610037325 AYLATELHAJXWLB-LLVKDONJSA-N 435.274 4.009 5 20 IIBD O=C(NCc1ccnc(Oc2ccccc2)c1)c1ccc(Br)cc1[N+](=O)[O-] 610570693 MOJHJGCWIQQIEX-UHFFFAOYSA-N 428.242 4.475 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC(c2nc(-c3ccccc3)no2)CC1 611513463 NKZBJVDAMWSCHM-UHFFFAOYSA-N 444.394 4.266 5 20 IIBD CCN(Cc1ccoc1)C(=O)c1cc(C(=O)N(CC)Cc2ccoc2)cc([N+](=O)[O-])c1 613107072 SRIMLGJWKPNWPZ-UHFFFAOYSA-N 425.441 4.105 5 20 IIBD C[C@@H](OC(=O)Cc1cccc(Br)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 725983820 KTYVPTFWNFLBCN-SNVBAGLBSA-N 441.665 4.124 5 20 IIBD C[C@@H](OC(=O)[C@@H](C)Oc1ccccc1C(F)(F)F)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 727204696 IFFIGIFFHTWCNW-GHMZBOCLSA-N 444.337 4.090 5 20 IIBD COc1cc(C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)ccc1OCc1ccccc1 728608622 KYAAPYFYRGVXRK-UHFFFAOYSA-N 445.435 4.220 5 20 IIBD COC(=O)c1cc(C(=O)Oc2ccc(NC(=O)c3sccc3C)cc2)cc([N+](=O)[O-])c1 729219415 WAKPEVUKPRBPBC-UHFFFAOYSA-N 440.433 4.223 5 20 IIBD Cc1[nH]nc(C(=O)Nc2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)c1[N+](=O)[O-] 729322100 AYCINHOWWZGKNC-UHFFFAOYSA-N 429.355 4.244 5 20 IIBD O=C(Nc1sccc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl 730207242 LDJHYLISKUKTNN-UHFFFAOYSA-N 444.900 4.404 5 20 IIBD Cc1ccc(C[C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2I)c(C)c1 731180184 PSLHECWUOVGFOF-CYBMUJFWSA-N 438.265 4.177 5 20 IIBD COc1cc(-c2nnc(Sc3nc4ccc([N+](=O)[O-])cc4s3)o2)cc(OC)c1OC 731205663 GPKSJGVGOWQSCT-UHFFFAOYSA-N 446.466 4.432 5 20 IIBD COC(=O)c1cc(C(=O)Oc2ccc(NC(=O)C3CCCCC3)cc2)cc([N+](=O)[O-])c1 731999203 FYSFXYBUWJXVNC-UHFFFAOYSA-N 426.425 4.119 5 20 IIBD CC(C)NC(=O)CCCC(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 732753736 URXRXDBXRQGGIB-UHFFFAOYSA-N 447.875 4.101 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CCC[C@H]1c1ccc(F)c(F)c1 732987907 NYHGCWMJCATDIA-AWEZNQCLSA-N 447.257 4.161 5 20 IIBD COc1cc(-c2nc(COC(=O)CSc3ccc([N+](=O)[O-])cc3)cs2)ccc1O 733428087 OZXYPDKJCNUABD-UHFFFAOYSA-N 432.479 4.268 5 20 IIBD O=C(Nc1cccc(OS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1)c1cccs1 734156289 MUMQMPCREPPVCO-UHFFFAOYSA-N 438.870 4.330 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@H](O)c1cc(Cl)cc(Cl)c1 735702282 LIARSNZLYBDJPJ-NRFANRHFSA-N 441.314 4.311 5 20 IIBD O=C(Nc1ccc(OCC2CCOCC2)cc1)c1cc([N+](=O)[O-])ccc1Br 736518434 ZTFMHPPVHMWRSV-UHFFFAOYSA-N 435.274 4.415 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2c(Cl)cccc2Cl)c(Br)c1 738403396 LBVDBJICKVTCEA-UHFFFAOYSA-N 427.059 4.432 5 20 IIBD COc1cc(N2CCC(OC(=O)CCOc3ccc(C)c(C)c3)CC2)ccc1[N+](=O)[O-] 739385402 PDXLRCGKNXCPBT-UHFFFAOYSA-N 428.485 4.201 5 20 IIBD CC(C)(C)OC(=O)NC1CCC(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 739791597 PJGWKJOTOXWIOP-UHFFFAOYSA-N 446.529 4.284 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)Oc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c1 741892789 RKZQMJIEWNHRMH-UHFFFAOYSA-N 432.479 4.009 5 20 IIBD Nn1c(SCc2cc(Cl)ccc2[N+](=O)[O-])nnc1-c1cccc(Br)c1 746388617 DEFJNBLZLWBNCA-UHFFFAOYSA-N 440.710 4.275 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])O[C@@H](c1ccccc1)c1nc(-c2ccccc2)no1 749056510 ACHUDPCVZQYGTF-NRFANRHFSA-N 431.404 4.356 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)CCc1cccc(F)c1F)c1cccc([N+](=O)[O-])c1 749848422 KWGIKCQDTQXGBL-GOSISDBHSA-N 446.450 4.434 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cc4occc4[nH]3)cc2)cc1[N+](=O)[O-] 750827857 CKXOKCGTDFPRKM-UHFFFAOYSA-N 440.437 4.031 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cc([N+](=O)[O-])ccc1Br 751060796 FZVCSFMDJWSJTA-UHFFFAOYSA-N 429.274 4.090 5 20 IIBD C/C(=C\C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1OC(F)F 753542107 NIPVYTICIFDXFB-DHZHZOJOSA-N 440.786 4.435 5 20 IIBD Cc1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c(C)n1Cc1ccco1 754989275 PCQRLUKECASENP-UHFFFAOYSA-N 434.807 4.487 5 20 IIBD COc1ccc(NC(=O)[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2OC)c2ccccc2)cc1 755677020 GJIDIIFCXKKDRK-NRFANRHFSA-N 436.420 4.149 5 20 IIBD Cc1cc(-c2ccccc2)ccc1NC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 755740499 NAZGNNDXYMAIAE-UHFFFAOYSA-N 439.493 4.166 5 20 IIBD Cc1c(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cnc(Cl)c1Br 758944226 GRUIDTQWKTWVLA-UHFFFAOYSA-N 441.090 4.168 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@H](C[C@H](C)O)c2ccccc2)CC1 759338561 JSGGEBMNEZKEOX-ICSRJNTNSA-N 425.529 4.116 5 20 IIBD CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)O[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 759948286 MUDAHJUJEYRRMB-DLBZAZTESA-N 432.452 4.256 5 20 IIBD CC[C@H](C)n1ncc(NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1C1CC1 762477163 UTGGANIYPWNSFC-JTQLQIEISA-N 443.323 4.203 5 20 IIBD Cc1sc2ncn(NC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)c(=O)c2c1-c1ccccc1 762942858 CKSNVECJURLNQU-CYBMUJFWSA-N 434.477 4.215 5 20 IIBD Cc1ccc([C@@](O)(Cc2noc(CSc3ccc([N+](=O)[O-])cc3)n2)C(F)(F)F)o1 763306536 LHJUCVRNMZLCFU-INIZCTEOSA-N 429.376 4.164 5 20 IIBD Cc1cccc(C(C)C)c1NC(=O)[C@H](C)OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 763856621 RXFPISUJEZAGDO-INIZCTEOSA-N 436.468 4.396 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCOC[C@@H]2c2ccccc2)c1=S 765048324 HDUWTWALEGJJRJ-LJQANCHMSA-N 425.514 4.040 5 20 IIBD COc1cccc(Br)c1OS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl 765207708 IGLSDJXZAMWGCQ-UHFFFAOYSA-N 436.667 4.095 5 20 IIBD CC(C)(C)OC(=O)N1Cc2ccc(C(=O)Nc3ccnn3-c3ccc([N+](=O)[O-])cc3)cc2C1 769458805 YPLOJLPEFCSWDB-UHFFFAOYSA-N 449.467 4.284 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 770007972 BPVJCPQPXUNOGU-INIZCTEOSA-N 427.791 4.455 5 20 IIBD C[C@@H]1CCN(C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC12CCC2 771331693 RGWIZSBQLIQWNU-MRXNPFEDSA-N 444.509 4.015 5 20 IIBD Cc1noc(C)c1[C@H](C)C(=O)O[C@H](c1ccc(Br)cc1)C(C)(C)[N+](=O)[O-] 774367178 PYYGHBACZFKVOU-MGPLVRAMSA-N 425.279 4.497 5 20 IIBD O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 777728095 FXEXRJXZLBVGRR-UHFFFAOYSA-N 444.451 4.152 5 20 IIBD Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 778149194 NAKMECPNIHOGLP-UHFFFAOYSA-N 433.295 4.427 5 20 IIBD O=[N+]([O-])c1cc(Cl)c2c(cnn2CN2CCC(n3ccc(C(F)(F)F)n3)CC2)c1 778578869 XIPVHJPSHDJWJX-UHFFFAOYSA-N 428.802 4.108 5 20 IIBD Cc1nn(-c2ccccc2)c2nc(C(=O)O[C@H]3CCN(c4ccc([N+](=O)[O-])cc4)C3)ccc12 778775779 FYFLUZIXKNFWFD-FQEVSTJZSA-N 443.463 4.073 5 20 IIBD O=C(COC(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1)Nc1ccc(F)c([N+](=O)[O-])c1 781437702 SVFIDCHCFVUQBO-UHFFFAOYSA-N 444.312 4.105 5 20 IIBD Cn1c([C@@H](NCCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c2ccccc2)nc2ccccc21 782543108 BUSHXWPOIIMHHH-QHCPKHFHSA-N 447.470 4.328 5 20 IIBD COc1ccc(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1[N+](=O)[O-] 782728251 VBQGCPTVNXPDGA-UHFFFAOYSA-N 437.408 4.021 5 20 IIBD CCOCN(C(=O)COC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1c(C)cccc1CC 783086292 ZAPWKPANLLWEJT-UHFFFAOYSA-N 439.468 4.131 5 20 IIBD Cc1ccc(N2CCNC2=O)cc1NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 785949768 VSSSWXCHKNTJSW-UHFFFAOYSA-N 445.479 4.297 5 20 IIBD O=C(CCC(=O)c1ccc(F)cc1F)O[C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 787028994 ZVCNCTYGQSISLW-HNNXBMFYSA-N 436.386 4.187 5 20 IIBD O=C(OCCO[C@H]1CCCCO1)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 787579665 XSRCLFCMKWSVTC-IBGZPJMESA-N 433.844 4.179 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Oc1ccc(-c2ncc3n2CCCC3)cc1 790422906 JXKKYJGENSLACR-UHFFFAOYSA-N 433.873 4.216 5 20 IIBD CNc1c(C(=O)OC[C@@H]2CCC(=O)N(C)[C@H]2c2cccc(Cl)c2)cccc1[N+](=O)[O-] 793159697 XTRYWQYOFLNBBS-XOBRGWDASA-N 431.876 4.056 5 20 IIBD O=C(Nc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c1)c1ccoc1 795313115 VCFCMZNIKLGENG-UHFFFAOYSA-N 439.808 4.033 5 20 IIBD C[C@H](OC(=O)C(C)(C)C1CCOCC1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 796439705 WTKDQZHOXWWCEA-ZDUSSCGKSA-N 447.513 4.041 5 20 IIBD O=C(Nc1cc(Cl)c(Cl)cc1F)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 798579846 GQYNWIHIYOFHSM-MRVPVSSYSA-N 430.194 4.171 5 20 IIBD C[C@@H](OC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])c1ncc(C(C)(C)C)o1 803723906 QWWGBCNKTYTVDV-LLVKDONJSA-N 440.294 4.383 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)O[C@H]1CCN2CCC[C@H]2C1 810850116 JTGDVDXWAIUUNA-GOTSBHOMSA-N 446.507 4.160 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N[C@@H](CO)c1ccc(Br)c(F)c1 814630774 UEFFDSWXCXGGAR-ZDUSSCGKSA-N 432.633 4.005 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)CC2)C1 817194423 FOGSZFOWSYFDRG-UHFFFAOYSA-N 446.548 4.037 5 20 IIBD C[C@@H](OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(=O)Nc1ccc(C(C)(C)C)cc1 849194243 GURDBFCLPVMVDQ-OAHLLOKOSA-N 436.468 4.262 5 20 IIBD O=C(COC(=O)Cc1ccc(-n2cccc2)cc1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 914975343 GWLOSEZJBLRCRQ-UHFFFAOYSA-N 447.369 4.129 5 20 IIBD CCN1C(=O)N[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C(=O)Nc2ccc(F)cc2)=C1C 916165611 SRDSXNSNQLVDPJ-SFHVURJKSA-N 432.839 4.386 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 918532623 XUEWGETUDAELQW-UHFFFAOYSA-N 431.832 4.373 5 20 IIBD C[C@H]1CCC[C@H](OCCCCCC(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C1 1116428684 DUBLPKFCSIAERC-REWPJTCUSA-N 431.577 4.395 5 20 IIBD CCCOc1cc(NC(=O)c2cc(=O)n(C)c3ccccc23)c([N+](=O)[O-])cc1OCCC 1317845876 CHFDIBJWOJBUHO-UHFFFAOYSA-N 439.468 4.277 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2C)cc1 1322613541 IKBFXDUTWMVINJ-FOIQADDNSA-N 446.525 4.322 5 20 IIBD Cc1cccc2c1CCN(c1nnc(-c3cccc([N+](=O)[O-])c3)n1C[C@H]1CCCCO1)C2 1330071677 VXFUVQFSVZJPNM-OAQYLSRUSA-N 433.512 4.294 5 20 IIBD NC(=O)[C@@H]1CCCN(c2ccc(C(=O)Oc3ccc(-c4ccccc4)cc3[N+](=O)[O-])cc2)C1 1516675520 MJYSUSBCHQJQGW-HXUWFJFHSA-N 445.475 4.183 5 20 IIBD CC(C)(C)OC(=O)NC[C@@](C)(O)CSc1nc2ccccc2c2nc3ccccc3n12 1651536988 ZSBIKZBPGOUFAY-HSZRJFAPSA-N 438.553 4.404 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccc(C2(NC(=O)CC(F)(F)F)CCC2)cc1 1786204734 PEDLPXVVLCQKEE-SOFGYWHQSA-N 437.374 4.288 5 20 IIBD Cc1cncc(C(=O)Nc2ccc(C3(NC(=O)c4cc(O)cc([N+](=O)[O-])c4)CCC3)cc2)c1 1787432540 KRAMGAOZNBDEOK-UHFFFAOYSA-N 446.463 4.065 5 20 IIBD C/C=C(\C)C(=O)Nc1ccc(C2(NC(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)CCC2)cc1 1791220501 ROCGZLXTSARMSL-LZWSPWQCSA-N 433.468 4.185 5 20 IIBD CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccc(Cl)cc3[N+](=O)[O-])n[nH]2)CC1 1814845212 XNSOJIYAPITGDZ-INIZCTEOSA-N 445.907 4.006 5 20 IIBD Cc1cc(C)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)[nH]n2)c1 1820540414 HQUIGJJVELTPQJ-QGZVFWFLSA-N 437.456 4.147 5 20 IIBD CC(C)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2F)n[nH]1 1821051779 GMRZXQBFCWWEGA-SFHVURJKSA-N 431.468 4.199 5 20 IIBD CC(C)=CCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])o1)CC2 1822726053 WRWDFWKJPAIICL-RNVIBTMRSA-N 444.513 4.016 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2)[nH]n1 1823503533 OBPCABYZDJUXGW-QZMUEMGWSA-N 445.479 4.337 5 20 IIBD CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)CC1 1830293234 WYPFLMVLGKLVJU-NRFANRHFSA-N 427.545 4.046 5 20 IIBD Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C(C)C)CC2)cc1[N+](=O)[O-] 1830364142 LBMLVPUAFSAUCI-FNNXTJRKSA-N 441.572 4.278 5 20 IIBD CC(C)(C)CCCCCC(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)C1 1841444811 SRWNNOFROVAJTA-PKNBQFBNSA-N 431.533 4.401 5 20 IIBD C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 10898606 ZFIDXAQQXLEXSC-GFCCVEGCSA-N 439.896 4.106 5 20 IIBD CC(=O)Nc1cc2ccccc2cc1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 16413192 JHICYFPGIFUIHC-UHFFFAOYSA-N 441.827 4.155 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1sc(-c2ccccc2)nc1C 17828232 ZOGYLNGNYGUZTF-ZDUSSCGKSA-N 441.465 4.219 5 20 IIBD COc1ccccc1[C@H](C)NC(=O)[C@H](C)OC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 26342617 ZAPNPWHYELUMHV-GJZGRUSLSA-N 428.485 4.324 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1ccc(SC)cc1 27159833 OYDRYRPYWSRNHO-KUHUBIRLSA-N 447.582 4.046 5 20 IIBD Cc1ccc(NC(=O)C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc1[N+](=O)[O-] 62000660 HFRMLNLTUAJPRY-UHFFFAOYSA-N 436.449 4.028 5 20 IIBD C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)c2)C1 63341570 QVDCLVBJLQBOPM-IERDGZPVSA-N 425.485 4.059 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCc1ccc(F)c(Br)c1 64421123 MGEQZOHXYMOEBP-JTQLQIEISA-N 445.672 4.276 5 20 IIBD O=[N+]([O-])c1cccc(N2CCN(Cc3csc(COc4ccc(F)cc4)n3)CC2)c1 71952343 JRNVBUGZXLXTJB-UHFFFAOYSA-N 428.489 4.092 5 20 IIBD COc1ccc(C(=O)NCc2ccc(-n3nc(C)cc3C)cc2C(F)(F)F)cc1[N+](=O)[O-] 72037090 YDPIYFBABRKWNL-UHFFFAOYSA-N 448.401 4.355 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(CS(=O)(=O)c2ccccc2)c1 107850572 VGYSWHVSUXVDSJ-UHFFFAOYSA-N 430.869 4.474 5 20 IIBD CN(c1ccc(Oc2ncc([N+](=O)[O-])cc2Cl)cc1)S(=O)(=O)c1ccc(F)cc1 301285203 QDYISZOWWMWFMN-UHFFFAOYSA-N 437.836 4.400 5 20 IIBD C[C@@H](Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1ccc(-n2cccn2)cc1 301448531 PBMZZGLACGTQJW-CQSZACIVSA-N 436.859 4.153 5 20 IIBD Cc1cccc([C@@H]2CCCN2c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])n1 301715992 MWBJYOFSJGUAMK-FQEVSTJZSA-N 444.557 4.204 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN(c2cc4ncnc(O)c4cc2[N+](=O)[O-])C3)cs1 301963946 VIOXMFXOXAWLTG-UHFFFAOYSA-N 425.495 4.300 5 20 IIBD COc1cc(CN[C@H](C(=O)O)c2ccccc2F)ccc1OCc1ccc([N+](=O)[O-])cc1 426776135 WWNGDEOGQNLSRD-QFIPXVFZSA-N 440.427 4.237 5 20 IIBD CN(C(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)[C@@H](c1ccc(Cl)cc1)c1cnccn1 427457656 VEFHMHXPDGUUKA-NRFANRHFSA-N 449.854 4.154 5 20 IIBD O=C(Nc1ccccc1F)N1CCC[C@H](C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 428718566 NFLHUFMILUIJRW-KRWDZBQOSA-N 440.475 4.169 5 20 IIBD CCn1c(SCC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1C 430522805 DWUKRQYWOGWJJB-UHFFFAOYSA-N 439.541 4.325 5 20 IIBD Cc1cc(OCC(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)ccc1[N+](=O)[O-] 430562675 SBMRLAFENDMUNJ-UHFFFAOYSA-N 431.876 4.200 5 20 IIBD Cc1cc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)n(Cc2ccccn2)n1 430839772 UTZXYIKNPGYORC-UHFFFAOYSA-N 434.500 4.032 5 20 IIBD CCCOc1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])c(OCC)c3)CC2)c(C)c1 431985771 HITHPXVJCSKASU-UHFFFAOYSA-N 442.516 4.445 5 20 IIBD CCCc1c(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cnn1-c1ccc(C)cc1 432549921 PAUIRTMLCPYQRH-UHFFFAOYSA-N 430.468 4.479 5 20 IIBD COc1cccc(C(=O)N2CCOc3cc(Br)c(Cl)cc32)c1[N+](=O)[O-] 435828306 SDIOTGUDPAKBAJ-UHFFFAOYSA-N 427.638 4.059 5 20 IIBD COc1ccc(C2(CNC(=O)c3cccc(OC)c3[N+](=O)[O-])CCCCC2)cc1OC 435870260 MLQSPUNGIXRLGD-UHFFFAOYSA-N 428.485 4.253 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 438806131 ANBMAUBLBQDLCQ-AWEZNQCLSA-N 447.296 4.260 5 20 IIBD O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3nc(O)c4c(-c5ccccc5)csc4n3)C2)nc1 440499096 MILPUGODBSNEAV-OAHLLOKOSA-N 448.508 4.054 5 20 IIBD CS(=O)(=O)c1cc(C(=O)N2CCCCC[C@H]2/C=C\c2ccccc2)cc([N+](=O)[O-])c1 440876378 HPONYIGKQIIOBX-JZHDPFOFSA-N 428.510 4.097 5 20 IIBD CCn1c(S[C@@H](C)c2ccc(S(C)(=O)=O)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 442900448 PQXYDUFSRNPTNS-ZDUSSCGKSA-N 432.527 4.130 5 20 IIBD CN(Cc1ccc(OC(F)F)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl 443452784 ITEMFDLKFDUTDE-UHFFFAOYSA-N 436.802 4.032 5 20 IIBD C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 444413419 SYZBCWSADYOLLD-JLTOFOAXSA-N 426.860 4.036 5 20 IIBD CCOC(=O)[C@]1(C(C)C)CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 446444937 PMZDHOYPMDSFTO-XMMPIXPASA-N 442.462 4.011 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)c(Br)c1 447036094 CWKDWUCALHDRNW-ONGXEEELSA-N 445.257 4.004 5 20 IIBD COc1ccccc1-c1csc([C@@H]2CCCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C2)n1 447685119 HZUNKVGXSPMQHZ-OAHLLOKOSA-N 438.509 4.210 5 20 IIBD CC[C@@H](c1ccccc1)c1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1C[C@H]1CCOC1 461546259 BGCXPHKLZVGWFR-JPYJTQIMSA-N 447.539 4.327 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H](c1ccccc1)c1cccnc1 462138372 LSPRCVHTECHDLU-QGZVFWFLSA-N 438.292 4.365 5 20 IIBD C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 462411356 CQVCPUACJHNRLQ-CJNGLKHVSA-N 439.331 4.172 5 20 IIBD COc1ccc(CN([C@H](C)C2CC2)S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 463697825 SKDHIAGRTMMOMK-OAHLLOKOSA-N 441.509 4.141 5 20 IIBD CS(=O)(=O)c1cccc([C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)c1 466393258 WLBWJUIVYVCKQL-FQEVSTJZSA-N 443.456 4.049 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 467281514 VYKLXIBARBRUND-OAHLLOKOSA-N 444.447 4.084 5 20 IIBD Cc1ccc(-c2csc(NC(=O)[C@H]3[C@H](C(F)(F)F)[C@H]4CC[C@H]3O4)n2)cc1[N+](=O)[O-] 467848847 FBYCWOYUXMYIHC-KBUPBQIOSA-N 427.404 4.321 5 20 IIBD C[C@@H](C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C)c1ccc([N+](=O)[O-])cc1F 469493169 BZBADEVGUGUMRD-XIKOKIGWSA-N 427.398 4.275 5 20 IIBD O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 473180004 AKQWRTFQODAZLF-FUHWJXTLSA-N 442.459 4.143 5 20 IIBD C[C@@H]1CCc2c(sc3nc(CCC(=O)Nc4cc(F)cc([N+](=O)[O-])c4)nc(O)c23)C1 473347696 GTUPGWWEWJJHLH-SNVBAGLBSA-N 430.461 4.140 5 20 IIBD C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 473531977 LWDDYXOXVSGZAF-CAMPQQCRSA-N 429.523 4.289 5 20 IIBD C[C@H](Cc1cccc(Cl)c1)C(=O)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 478076673 BTUQUJRPKVZXKB-OAHLLOKOSA-N 441.919 4.042 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)cc1C 479153006 SAGRWLOEWGDSRI-UHFFFAOYSA-N 442.881 4.323 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1c(F)cc(F)cc1Br 479161154 QQICTHCQPYJONX-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)NCc1cccc([N+](=O)[O-])c1C 480073191 VWFTWMXVRANFRT-UHFFFAOYSA-N 427.461 4.025 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3n2C(C)C)c([N+](=O)[O-])c1 481443223 YMDPUTHTITYWRN-SFHVURJKSA-N 428.514 4.360 5 20 IIBD CCn1c(Sc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])nnc1-c1ccc(C)cc1 481838369 LAQQOIWTANCHCJ-UHFFFAOYSA-N 448.508 4.297 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@H](CC(=O)OC(C)C)c2ccc(C)cc2)cc1SC 482056155 YGUWPHQMGHCYFD-QGZVFWFLSA-N 446.525 4.447 5 20 IIBD O=C(N[C@@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1)c1ccccc1 482911288 MIINBDSFTNDJPL-OAQYLSRUSA-N 437.883 4.078 5 20 IIBD C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CCO[C@H](c2ccccc2)C1 486138905 RDBNURZMNBMKIK-YWZLYKJASA-N 438.509 4.119 5 20 IIBD O=C(Nc1cc(-n2cnnn2)ccc1F)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 486945166 QHKLRCYSBLRSFU-UHFFFAOYSA-N 436.428 4.113 5 20 IIBD CCOc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)ccc1OC(F)F 487644020 FVTJQZMPNKSPQR-UHFFFAOYSA-N 432.326 4.126 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CN[C@@H](c1cc(OC)c(OC)c(OC)c1)C(F)(F)F 492514788 KENJLDXWJYVYFL-SFHVURJKSA-N 430.379 4.022 5 20 IIBD CCN([C@@H](C)Cc1ccsc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 494596622 NJJAMQUGEXJZTL-NSHDSACASA-N 433.349 4.061 5 20 IIBD C[C@@H]1CN(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)CC[C@H]1O 497826672 WOUDHBQRHUVFPW-SJKOYZFVSA-N 437.855 4.092 5 20 IIBD O=[N+]([O-])c1cncc(Br)c1N1CCC2(CCN(Cc3ccccc3)C2)CC1 499641145 LEDJQWHNMCXRLB-UHFFFAOYSA-N 431.334 4.245 5 20 IIBD CCCN(CCc1cccc(F)c1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br 500212136 MIXXOXSLHGKZBG-UHFFFAOYSA-N 438.297 4.390 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCCN(CC(F)F)CC1 501622461 SCVNFEMWPAGSNW-UHFFFAOYSA-N 439.846 4.454 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 503461377 RTQCRLLAJKBIGG-UHFFFAOYSA-N 445.475 4.134 5 20 IIBD CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 505417186 WETAOINAAYJJAD-HNNXBMFYSA-N 438.347 4.328 5 20 IIBD COc1cc(CN[C@@H](C)c2cccc(-n3cccn3)c2)c([N+](=O)[O-])cc1OCC(F)F 505458712 VGCMUDIOCNFYPT-AWEZNQCLSA-N 432.427 4.284 5 20 IIBD CC[C@@H](C)NC(=O)c1cccc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 509328885 VTOJRVJKFSWZMS-QGZVFWFLSA-N 426.517 4.243 5 20 IIBD O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 509347706 CLRJMUZJJNQXCL-GIZXNFQBSA-N 445.317 4.116 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 510034799 KUSRNOVYYQMEOX-UHFFFAOYSA-N 448.545 4.114 5 20 IIBD Cc1cc(N2CCOCC2)ccc1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 510061736 UVWAGPIXKHLZBD-UHFFFAOYSA-N 434.290 4.063 5 20 IIBD CCCCOc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c(C)c1 518372559 DLSDZIBOGZRTHB-KRWDZBQOSA-N 431.514 4.387 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C 520017720 GEQQKIXXMNPAJN-MRXNPFEDSA-N 445.541 4.335 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1 520057060 PDYVXZKXIDYZHQ-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD COc1ccc(-c2nc(Cc3noc(-c4cnn(-c5ccc([N+](=O)[O-])cc5)c4)n3)co2)cc1 521894693 LGLXFHPMSKZKKS-UHFFFAOYSA-N 444.407 4.085 5 20 IIBD CSc1nc(C)c(CCC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c(O)n1 522678326 ZHDHKMZYCKIAQB-UHFFFAOYSA-N 440.481 4.484 5 20 IIBD Cc1nn(-c2ccccc2)c2sc(C(=O)N3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc12 522860896 HWFCHWPIKHCZQQ-HNNXBMFYSA-N 448.508 4.025 5 20 IIBD CCOc1cc(NC(=O)N2CCO[C@H](c3ccccc3C)C2)c([N+](=O)[O-])cc1OCC 525225033 CMMZRRIMDKQOED-NRFANRHFSA-N 429.473 4.306 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CS(=O)(=O)Cc3ccc(C(F)(F)F)cc3)co2)cc1 534060727 PQRMDPGRJPGNSW-UHFFFAOYSA-N 426.372 4.384 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)cc1[N+](=O)[O-] 537865690 YOPHZHAKFPERLM-INIZCTEOSA-N 445.475 4.321 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2[C@H]3CC[C@H]2CC(N(C)C(=O)c2ccccc2)C3)c1 538580453 CKRMILHTIONZIZ-IRXDYDNUSA-N 439.537 4.225 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N[C@H]2CCO[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 540038110 QFVBJJMOSBNCCN-HRAATJIYSA-N 426.469 4.228 5 20 IIBD CC(C)CC(=O)NCCC(=O)N(CC(C)C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 540455561 DYZCCHDCGQIHKE-UHFFFAOYSA-N 432.546 4.260 5 20 IIBD COc1ccc(NC(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)cc1[N+](=O)[O-] 541103742 GFGUOEVKXOLCIH-UHFFFAOYSA-N 431.452 4.323 5 20 IIBD NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 542045912 VSZIISBEAVVMDU-HUUCEWRRSA-N 429.420 4.009 5 20 IIBD COc1ccc(-c2csc(CNC(=O)NCc3cc([N+](=O)[O-])ccc3OC)c2)cc1 544314568 DMEUFTVNILBLOW-UHFFFAOYSA-N 427.482 4.340 5 20 IIBD COc1cc([C@H](C)NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])ccc1OC1CCCC1 545388371 SOOOHUNUQDRIPM-HNNXBMFYSA-N 434.514 4.105 5 20 IIBD O=[N+]([O-])c1ccc(O)cc1CNC1(Cc2ccc(F)cc2Br)CCOCC1 550140247 ZWZAVYWCJRUJHW-UHFFFAOYSA-N 439.281 4.084 5 20 IIBD O=C(Nc1ccc(Cl)c(F)c1N1CCOCC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 555041404 GUUROOIACURQMH-UHFFFAOYSA-N 448.882 4.420 5 20 IIBD COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C 557179136 QGFPGFCHHOCXGQ-YJBOKZPZSA-N 430.526 4.246 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1noc(-c2ccccc2)n1 559547647 OWDVWSHTTYTYNL-LLVKDONJSA-N 431.246 4.207 5 20 IIBD CNC(=O)CC[C@H]1CCCCN1Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 565684083 NTVVLHVSTDVPQE-HXUWFJFHSA-N 441.528 4.063 5 20 IIBD O=C(N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C1(c2cccnc2)CCCC1 579752748 DYZJAJRGPANYHG-UHFFFAOYSA-N 448.445 4.169 5 20 IIBD CC(C)CN(C(=O)COCc1cccnc1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 583957588 DYHSREKNHKNXQK-UHFFFAOYSA-N 426.498 4.319 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](Cn1cccn1)c1ccccc1 585699780 CWRKJWYTGISNEI-SFHVURJKSA-N 429.274 4.034 5 20 IIBD Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 589460892 FELTYQRAADLRIG-UHFFFAOYSA-N 444.719 4.107 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3C[C@@H]4CCCCN4c4ccccc43)cc2)c(C)c1[N+](=O)[O-] 590525259 IIOMRZIAHKNZFD-NRFANRHFSA-N 445.523 4.476 5 20 IIBD O=C(Nc1nc(-c2ccc3ccccc3n2)n[nH]1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 590557036 YCFVDEXVYJXZOD-UHFFFAOYSA-N 443.448 4.304 5 20 IIBD CC(=O)N[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1cccs1 590646580 PFFUHCNIRFBYIY-LJQANCHMSA-N 437.477 4.093 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccc(Cl)c(C(=O)O)c3)cc2)c(C)c1[N+](=O)[O-] 603570680 XGPGOMUMLKRKQA-UHFFFAOYSA-N 428.832 4.060 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c1C 603979628 OZELHCBJKZMTOQ-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD COc1ccc(CNC(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1[N+](=O)[O-] 604091269 XVVKNJAXBHWFFU-UHFFFAOYSA-N 444.831 4.424 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 608965360 WQZPOZHEYUHOQQ-GOSISDBHSA-N 431.420 4.210 5 20 IIBD Cn1nc(-c2ccccc2)c2c(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)[nH]nc21 609668486 SVPMFMKLXLTPRY-UHFFFAOYSA-N 445.464 4.247 5 20 IIBD Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 609933625 IABSWHWCYSWMLK-LBPRGKRZSA-N 427.461 4.277 5 20 IIBD CCCN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@H]1C[C@@H](OCC)C12CCCCC2 610192579 JQWNVXCNRZJIIR-LEWJYISDSA-N 441.532 4.156 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 610605787 MDEUFRORFHWGAB-IUCAKERBSA-N 435.118 4.170 5 20 IIBD CC(=O)N[C@@H]1Cc2ccccc2N(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 610985343 MHGBPDSBWXQWME-GOSISDBHSA-N 431.448 4.095 5 20 IIBD Cc1ccccc1[C@@H]1C(=O)NCCN1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 612750593 KDSZALGUUSWNOJ-JOCHJYFZSA-N 446.463 4.401 5 20 IIBD O=C(c1cnc2ncc(Br)cc2c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 614859622 ZIKZOAPYFIYJPW-UHFFFAOYSA-N 427.258 4.105 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N(C)Cc2ccc(C)cn2)c([N+](=O)[O-])c1 616064624 GVSDADPZXJMTSY-UHFFFAOYSA-N 440.525 4.150 5 20 IIBD COC(=O)c1cc(NC(=O)N2CC[C@](F)(c3cccc(Cl)c3)C2)c(C)c([N+](=O)[O-])c1 619800998 WCDPWMWRZHDZLD-HXUWFJFHSA-N 435.839 4.446 5 20 IIBD COc1cc(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1[N+](=O)[O-] 725948602 SBZLAFNPGBWCIW-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD COc1ccc2c(c1)C(=O)N(C)[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c1)N2 726605568 UBTFTSVPVIGTTH-QHCPKHFHSA-N 449.463 4.387 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C 726700101 YBWAFOQSGHXHEN-UHFFFAOYSA-N 442.472 4.223 5 20 IIBD Cc1nn(C)cc1[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 727738492 DNNXOCMRYQXQTI-GFCCVEGCSA-N 441.875 4.033 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(Sc2nncs2)c(Cl)c1 728186510 SSPCTUMAQHVHEB-UHFFFAOYSA-N 446.901 4.239 5 20 IIBD COc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1Br 728251610 UDCZWUNHRDNZKY-JTQLQIEISA-N 438.234 4.074 5 20 IIBD COc1ccccc1NC(=O)[C@H](OC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])C(C)C 728650431 YKWUWNHXAYXTTM-LJQANCHMSA-N 448.497 4.154 5 20 IIBD CCCNC(=O)Nc1cccc(OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 729213013 OCWZDGDNCKPBOE-UHFFFAOYSA-N 429.476 4.292 5 20 IIBD CC(=O)N[C@H](CC(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 729812821 KZWBDTAFAHUDCQ-KPZWWZAWSA-N 435.274 4.229 5 20 IIBD C[C@H](c1ccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1)N1CCOCC1 730084695 IPCXFQUUBIXLEA-CYBMUJFWSA-N 434.290 4.003 5 20 IIBD O=[N+]([O-])c1cccc(OS(=O)(=O)c2csc(-c3cccc(Br)c3)n2)c1 730808528 DANAXHUGFOQDLF-UHFFFAOYSA-N 441.284 4.249 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(Cc3cc4ccccc4nc3O)CC2)c(C(F)(F)F)c1 732199824 SRFOMWOHPVQSIS-UHFFFAOYSA-N 432.402 4.190 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 734042514 ZBFNSJGGPALSNB-UHFFFAOYSA-N 426.450 4.061 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)COc1cccc(NC(=O)c2ccco2)c1 735820893 LOYBKCDEVYBFOC-UHFFFAOYSA-N 429.816 4.419 5 20 IIBD CN1C(=O)CC[C@H](COC(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H]1c1cccc(Cl)c1 740607078 ZWOUFFUPOZGUAY-ZHRRBRCNSA-N 445.903 4.203 5 20 IIBD O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)c1cc([N+](=O)[O-])ccc1N1CCCCC1 740943733 JSENMMARHJVYJU-GOSISDBHSA-N 438.311 4.355 5 20 IIBD O=[N+]([O-])c1cn(CN2CCC[C@@H]2c2cccc(Br)c2)nc1-c1ccncc1 742146244 LUBAYFPJANCATR-QGZVFWFLSA-N 428.290 4.410 5 20 IIBD CN(C(=O)c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1F 742221949 IYBSHYUOLYLZAI-UHFFFAOYSA-N 438.371 4.171 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cccc(Cl)c3C(N)=O)cc2[N+](=O)[O-])C1 742832313 NXFPBYDIAJLIFL-CHWSQXEVSA-N 430.892 4.082 5 20 IIBD C[C@@H]([C@H](OC(=O)CC1CCC1)c1ccccc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 744351064 JBWWMIYDGVFSOV-AOMKIAJQSA-N 446.525 4.079 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)CC(C)(C)CNC(=O)OC(C)(C)C 747843085 LJVSBFONQZSRRQ-CYBMUJFWSA-N 442.944 4.058 5 20 IIBD O=C(OCC(=O)N1CCC[C@H]2CCCC[C@@H]21)c1csc(-c2cccc([N+](=O)[O-])c2)n1 747962610 QSKFTWPXQNJQCP-KDOFPFPSSA-N 429.498 4.056 5 20 IIBD C[C@@H](OC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 748378496 WQDZPQAPGAGWKB-LLVKDONJSA-N 426.256 4.005 5 20 IIBD Cc1c(CC(=O)OCC(=O)c2cc(C)n(Cc3cccs3)c2C)cccc1[N+](=O)[O-] 748469997 FFMOBHXAFRRTIP-UHFFFAOYSA-N 426.494 4.400 5 20 IIBD CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C[C@H](O)c1cccc([N+](=O)[O-])c1 750035283 FEBGYWOFAUPJQX-SFHVURJKSA-N 426.300 4.286 5 20 IIBD COc1cccc(OCCCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)c1 750885804 CRMSECKNGUCRIQ-UHFFFAOYSA-N 443.681 4.218 5 20 IIBD Cc1ccc(NCCCNC(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)c([N+](=O)[O-])c1 751097073 MNEOIPHBVXKCCF-APWZRJJASA-N 432.546 4.064 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@H]1C[C@H](O)c1cccs1 751191612 UFMBUUROHSRKNU-JTSKRJEESA-N 432.545 4.331 5 20 IIBD COc1cc(F)c([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2Br)cc1OC 753826291 MLGDPSDTOYMSNK-SECBINFHSA-N 427.226 4.005 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cccc(-c2ccccn2)c1C 755016072 QCBDIHCMNKFQNZ-OAHLLOKOSA-N 435.436 4.158 5 20 IIBD CC(C)C(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 755062180 JOVCZIJVJPMAIP-KGLIPLIRSA-N 430.432 4.247 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NCC[C@H](O)c2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-] 758180164 XUDURBBCCHLCST-HNNXBMFYSA-N 430.244 4.146 5 20 IIBD COc1ccc2c(c1)CN(C(=O)Cn1ncc3ccc([N+](=O)[O-])cc31)[C@H](c1ccccc1)C2 759470906 YMHWRRZIFLJUPX-QHCPKHFHSA-N 442.475 4.279 5 20 IIBD O=C(NCCc1nc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)no1)c1cccs1 761858225 NAFSNWBBKYUEMN-UHFFFAOYSA-N 436.449 4.471 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1c1noc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 763351349 WTIYYDUEEAVRHN-MRXNPFEDSA-N 429.477 4.317 5 20 IIBD COc1c(C)cnc(CN2CCC(N(C)C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC2)c1C 764232718 JPRHACGEUDGQLB-UHFFFAOYSA-N 446.935 4.005 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 765531193 RHUCFFIVBDKGIT-OCCSQVGLSA-N 449.847 4.296 5 20 IIBD C[C@](O)(CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1cccc(Cl)c1 765792581 KBGHOBUXNZIHNM-INIZCTEOSA-N 448.100 4.302 5 20 IIBD COc1cc(COC(=O)c2csc(-c3ccc(OC)c(OC)c3)n2)c([N+](=O)[O-])cc1F 766168028 CFINLLZLFXYFOG-UHFFFAOYSA-N 448.428 4.240 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)c2ccccc12 767815406 GHZUGZOCLYYUSP-CQSZACIVSA-N 447.440 4.070 5 20 IIBD O=C1CCCN1C[C@H]1CCCCN1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 769195720 BGKNTXAQKDZALD-LJQANCHMSA-N 439.537 4.363 5 20 IIBD COc1ccc(C(C)(C)c2noc(-c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)n2)cc1OC 771666108 QYRSOCNIVFBUBG-UHFFFAOYSA-N 435.440 4.174 5 20 IIBD O=C(Oc1ccc2cncnc2c1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 772519417 BSMLSTIVFAHOTD-UHFFFAOYSA-N 430.207 4.250 5 20 IIBD Cc1csc(Sc2ccc(C(=O)O[C@H](C(F)F)[C@@H]3CCCO3)cc2[N+](=O)[O-])n1 774454285 WDNSTIHXCHUJGQ-JSGCOSHPSA-N 430.454 4.480 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCc1ccc(OCC(F)(F)F)nc1 775029190 IZPVJBBYSVBYKU-JTQLQIEISA-N 434.754 4.095 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 775227699 JTRFHGVPMAGXDB-WMZOPIPTSA-N 434.537 4.303 5 20 IIBD CC[C@H](c1ccccc1)c1nnc(NC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)s1 778263928 BEPLWRWMUYDSIG-GFCCVEGCSA-N 426.483 4.245 5 20 IIBD CC[C@@H]1C[C@H](C(=O)O[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CCO1 780150488 QVKIICHZOCWPJE-DBXWQHBBSA-N 426.469 4.331 5 20 IIBD CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 780850987 DSKSHICNIMWSHS-UHFFFAOYSA-N 437.540 4.304 5 20 IIBD C[C@@H](OC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C(=O)N1CCc2ccccc21 781258535 ULGPHVXWABBVHY-CYBMUJFWSA-N 448.425 4.094 5 20 IIBD CC(=O)Nc1ccc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C(F)(F)F)c1 781594931 LNZXYQQQXAFNMQ-UHFFFAOYSA-N 440.334 4.052 5 20 IIBD Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781617446 SYCUAZFSIQMBNT-QFIPXVFZSA-N 444.447 4.287 5 20 IIBD C[C@@H]1CCCCN1Cc1ccc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 781624382 MKERSEVTFWUYTG-MRXNPFEDSA-N 426.473 4.449 5 20 IIBD Cn1nc(C(F)(F)F)c(COC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1Cl 782328121 XEGKUKJPJWTXSD-UHFFFAOYSA-N 446.794 4.481 5 20 IIBD O=C(Nc1ccc(CN2CCOC2=O)cc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 782700123 HBBWUXSXRGGLBF-UHFFFAOYSA-N 447.447 4.378 5 20 IIBD Cc1cc(F)ccc1-n1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1 783279098 YOXQPFLHEAWHRE-LBPRGKRZSA-N 446.822 4.065 5 20 IIBD Cc1sc(NC(=O)CSc2ccccc2[N+](=O)[O-])c(C(N)=O)c1-c1ccccc1 783879062 ADWHOFWWQVZAEO-UHFFFAOYSA-N 427.507 4.461 5 20 IIBD CC[C@H](Cc1ccccc1)N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br 784717707 LCKYFYFZBLWVSY-OAHLLOKOSA-N 448.317 4.084 5 20 IIBD Cc1ccc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1N1CCOC1=O 785838782 DKADVKZEHFYSDA-UHFFFAOYSA-N 438.362 4.200 5 20 IIBD O=C(Nc1ccc(-c2ccco2)cc1F)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 786062877 FCONLZOXVVCNPA-ZDUSSCGKSA-N 427.363 4.125 5 20 IIBD O=[N+]([O-])c1cc(Br)c(F)cc1OCc1nc(-c2ccc(F)c(F)c2)no1 790296030 NWCDZFRBGNJBHF-UHFFFAOYSA-N 430.136 4.404 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)COc1cc(F)c(Br)cc1[N+](=O)[O-] 790296363 OTFQHSJFAATSFY-UHFFFAOYSA-N 447.644 4.484 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NOCc1ccc(F)cc1Br 790572272 VKJRZXWDTWFXOA-UHFFFAOYSA-N 435.608 4.079 5 20 IIBD CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cn1 790595050 SEKOKKYADKKODZ-HXUWFJFHSA-N 443.891 4.232 5 20 IIBD O=C(CCc1ccc(F)cc1F)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791171603 GIOMVROKVQCWEX-UHFFFAOYSA-N 425.229 4.153 5 20 IIBD CC(C)N(Cc1cccs1)S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] 795804414 HBMQGFIJZOLZHX-UHFFFAOYSA-N 437.312 4.157 5 20 IIBD Cc1nc(SC(F)F)sc1CC(=O)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 796862773 NCCIOIPQGZCLMD-CYBMUJFWSA-N 429.470 4.039 5 20 IIBD O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)Nc2ccccc2NCC(F)(F)F)c1 798246944 KDGYBUPLIMKRDR-UHFFFAOYSA-N 427.763 4.162 5 20 IIBD CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H](c2ccncc2)C1 800332382 RNSOSFFONRBGCD-GOSISDBHSA-N 446.891 4.077 5 20 IIBD CN(C)C(=O)Sc1cc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)ccc1Cl 805435820 OUKSDMKRAQLQAE-UHFFFAOYSA-N 445.888 4.460 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 808467478 FMRHBBKLUJPVCM-HDJSIYSDSA-N 425.913 4.309 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2c2nc(-c3ccc(-c4cc[nH]n4)cc3)no2)ccc1[N+](=O)[O-] 809294957 CQHCSZFXNICAGO-FQEVSTJZSA-N 444.451 4.321 5 20 IIBD CSc1ccc(C(=O)N2CCC([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1[N+](=O)[O-] 810951359 ROQSEBGYTHHRTH-KRWDZBQOSA-N 449.573 4.426 5 20 IIBD COc1ccccc1CN(OC)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 812368517 VDWSYLPPNQIFAA-INIZCTEOSA-N 436.468 4.375 5 20 IIBD C[C@H](NCc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(N2CCCNC2=O)cc1 812799711 MEVSGPWCDFMLBG-ZDUSSCGKSA-N 433.306 4.128 5 20 IIBD O=C(C[C@@H](c1ccccc1)N1CCOC1=O)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F 815206341 ZXBXJGFDKXWDIU-KRWDZBQOSA-N 438.358 4.240 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 815216757 OWEVLBAVYGAMMT-CHWSQXEVSA-N 445.438 4.379 5 20 IIBD COc1cc(C(=O)OCc2csc(-c3ccco3)n2)c([N+](=O)[O-])cc1OC(F)F 824112977 FAANQKAKQQEVGQ-UHFFFAOYSA-N 426.353 4.278 5 20 IIBD CC(C)[C@H](OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCSc2ccccc21 877058306 YJWGDWSIJDISRW-ZRFOIIEFSA-N 426.494 4.315 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1C(=O)c1ccc(F)cc1 900678732 XKZCUJDWHDTTTL-UHFFFAOYSA-N 437.379 4.188 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N(C2CCCC2)C2CC2)cc1 914573489 BWFYVOCENJLEHE-UHFFFAOYSA-N 444.509 4.218 5 20 IIBD CCCCc1ccc(NC(=S)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1 915275309 ZEUOQSLFNOWKJG-UHFFFAOYSA-N 432.571 4.154 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1OC(=O)CSCc1nc(O)c2c3c(sc2n1)CCCC3 916403732 UGPPNYKGOUQROD-UHFFFAOYSA-N 445.522 4.331 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)CCCSc2ccc(Cl)cc2)cc([N+](=O)[O-])c1C 916772752 IJZTYEXKCGQWHC-UHFFFAOYSA-N 442.946 4.242 5 20 IIBD COc1ccc([C@H]2CCCCCN2C(=O)COC(=O)c2cccc(C)c2[N+](=O)[O-])cc1 918803193 YAMYGEMZQPZUAQ-HXUWFJFHSA-N 426.469 4.213 5 20 IIBD Cn1cc(C(=O)OCc2c(F)c(F)c(F)c(F)c2F)c(-c2ccc([N+](=O)[O-])cc2)n1 920552552 XZBVQCPJQZYKDY-UHFFFAOYSA-N 427.285 4.048 5 20 IIBD CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 920819428 XNBQCTFSHROIOW-UHFFFAOYSA-N 426.307 4.041 5 20 IIBD CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 921016542 RWFCWCHWMLURTP-SFHVURJKSA-N 449.551 4.061 5 20 IIBD COc1ccc(COCc2cccc(NC(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)c2)cc1 921155285 HYYVBFQYBNNPSF-UHFFFAOYSA-N 446.463 4.309 5 20 IIBD C[C@@H](NC(=O)c1nn(-c2ccccc2F)cc1Br)c1cccc([N+](=O)[O-])c1 1317901914 DOPKYDFYWQNVME-LLVKDONJSA-N 433.237 4.173 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1 1318107362 ZDLWQHLCVWGBTE-UHFFFAOYSA-N 430.464 4.021 5 20 IIBD C[C@@H](Sc1ccc(S(=O)(=O)C(F)(F)F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 1318969708 SVJTVKLHESYRIF-SNVBAGLBSA-N 434.417 4.008 5 20 IIBD COC(=O)[C@@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1Cl 1322095812 IKVGRJUTGISEEK-QHCPKHFHSA-N 435.863 4.266 5 20 IIBD O=C(Nc1cccc(CNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)c1)c1ccncc1 1325490106 VHOLCDZTHWWVEZ-UHFFFAOYSA-N 434.843 4.451 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc1[N+](=O)[O-])c1ccccn1 1330115664 VNBVFXOHWJORQM-AWEZNQCLSA-N 433.424 4.227 5 20 IIBD COc1ccc(Br)cc1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 1339171703 DEXQBTYJARHPGB-UHFFFAOYSA-N 429.654 4.427 5 20 IIBD Cc1nc[nH]c1C(=O)NC1(c2ccc(NC(=O)CCc3cccc([N+](=O)[O-])c3)cc2)CCC1 1786600471 VVGOXXIKSWHYDC-UHFFFAOYSA-N 447.495 4.007 5 20 IIBD O=C(CCCCn1cccc1)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1 1789604213 YKPCHSDEFAFVLZ-UHFFFAOYSA-N 449.511 4.343 5 20 IIBD CC(C)CC(=O)NC1(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N(C)C)cc2)CCC1 1790791980 XTOFLKMKVNSACZ-UHFFFAOYSA-N 438.528 4.455 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@H]3C[C@]3(F)Cl)cc2)CCC1)c1cccc(F)c1[N+](=O)[O-] 1791676302 DIAQGMHIGWOWDY-QVKFZJNVSA-N 449.841 4.406 5 20 IIBD CC(=O)CCc1ccc2oc(C(=O)OCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c(C)c2c1 8877576 LTYSHDAOHLYNGM-UHFFFAOYSA-N 442.399 4.106 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1[N+](=O)[O-] 15410103 XXEWDYCDFGLHJV-UHFFFAOYSA-N 447.419 4.235 5 20 IIBD COCc1c(C(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])sc2cccc(F)c12 17937850 ZBEGHUVOPJZGIZ-NSHDSACASA-N 432.429 4.279 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3ccc(NC(N)=O)cc3)cc2[N+](=O)[O-])n1 25880212 YEBXSHRPHOLJQI-UHFFFAOYSA-N 429.483 4.254 5 20 IIBD COc1ccc(N(Cc2cccs2)S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cc1 26543043 FGHKIJXFHQNRBJ-UHFFFAOYSA-N 434.495 4.069 5 20 IIBD CCn1c2ccccc2c2cc(NC(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)ccc21 28197127 SIWNRMOBJRXMIK-UHFFFAOYSA-N 444.447 4.087 5 20 IIBD NC(=O)c1cc(-c2csc(NC(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)n2)c[nH]1 29872379 MBQOABPVKVUCAQ-UHFFFAOYSA-N 448.464 4.141 5 20 IIBD CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 30418926 QYSHTZICPIVWDG-UHFFFAOYSA-N 448.479 4.448 5 20 IIBD CCOC(=O)C1CCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 32799789 HDNAKFJHMJAGBL-FQEVSTJZSA-N 445.903 4.203 5 20 IIBD COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1Cc1ccccc1 57590467 MALZWFQAJQONNK-UHFFFAOYSA-N 447.491 4.283 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccccc2NC(=O)NC(C)C)cc1[N+](=O)[O-] 58351940 PGAJCLXEEJHSCZ-UHFFFAOYSA-N 432.502 4.005 5 20 IIBD O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)N(Cc1ccccc1)c1ccccc1 60825829 GBLBXURJANRKDZ-UHFFFAOYSA-N 440.459 4.052 5 20 IIBD COc1cc(C(=O)NCCNc2ccccn2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 63707527 RKWGVTVDTVKGKF-UHFFFAOYSA-N 442.859 4.286 5 20 IIBD Cc1ccccc1CN1CCC(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 64421140 ZLVYNIZYORVPBV-MRXNPFEDSA-N 431.920 4.105 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccccc2N2CCOC2=O)cc1[N+](=O)[O-])c1ccccn1 110324331 WMSFYXSTLDVEDR-HNNXBMFYSA-N 447.451 4.372 5 20 IIBD Cc1cc(C(=O)NCC(=O)Nc2ccccc2CN(C)C2CCCCC2)ccc1[N+](=O)[O-] 218462600 BAUONPOBUDZVIY-UHFFFAOYSA-N 438.528 4.036 5 20 IIBD COc1ccc(Br)cc1CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 237140438 KZHWTSBHMGDTPF-UHFFFAOYSA-N 431.290 4.056 5 20 IIBD O=[N+]([O-])c1cncc(Br)c1N[C@@H]1CCCc2c1cnn2Cc1ccccc1 301858604 CVCOMWGOZFXQRN-MRXNPFEDSA-N 428.290 4.487 5 20 IIBD C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 302479734 XLMNCUZSZKVUNZ-CYBMUJFWSA-N 443.447 4.351 5 20 IIBD O=C(N[C@H]1CCCN(c2ccccc2Cl)C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 303944169 XXBXDBDUUUPDQL-SFHVURJKSA-N 442.947 4.250 5 20 IIBD CSc1ccc([C@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 410237780 LDUKSQGHRZPATC-MGPUTAFESA-N 427.526 4.107 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1nc(-c2ccccc2)cs1 410390270 IDESLVOOLODVHK-LLVKDONJSA-N 430.873 4.188 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1-c1c(F)cccc1F 428152658 SNSMSYKMQHVVDZ-ZDUSSCGKSA-N 425.391 4.297 5 20 IIBD O=c1c(Cl)c(N2CCC(c3ncccc3Cl)CC2)cnn1-c1ccc([N+](=O)[O-])cc1 428669079 INAXAPRMQQJKEQ-UHFFFAOYSA-N 446.294 4.227 5 20 IIBD Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 429066404 TUIBSGKEVYWFQR-MRXNPFEDSA-N 442.541 4.283 5 20 IIBD CC[C@H](NC(=O)Nc1ccc(C(=O)N(C)C2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 429152275 ACSQDQMORJLPSY-NRFANRHFSA-N 440.500 4.119 5 20 IIBD O=C(N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(Br)cc1[N+](=O)[O-] 429818062 BXOUSGHTSDTJEH-GOSISDBHSA-N 433.258 4.010 5 20 IIBD CCOc1ccc(NC(=O)COc2c(Br)cccc2[N+](=O)[O-])cc1OCC 431240821 ZKPJKHOJZBZIGL-UHFFFAOYSA-N 439.262 4.172 5 20 IIBD COc1cc(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)c([N+](=O)[O-])cc1OC(F)F 437278668 VBXDIVGPGDIPGB-PRHODGIISA-N 430.766 4.283 5 20 IIBD CC(C)Oc1ccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1Cl 437432532 IBUXBCDWVXEEGQ-UHFFFAOYSA-N 443.790 4.214 5 20 IIBD COC(=O)CSCc1cccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 437744132 CRLOIXLMJHKZBT-UHFFFAOYSA-N 429.498 4.198 5 20 IIBD COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 437896127 OQXOOPPWZVSMHC-UHFFFAOYSA-N 442.516 4.275 5 20 IIBD C[C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)Oc1ccccc1Br 437999200 XJRVKXHYZWLNJC-AWEZNQCLSA-N 448.317 4.499 5 20 IIBD COc1cc(Cc2noc(C[C@@H](C)C(=O)c3ccc(Cl)cc3)n2)c([N+](=O)[O-])c(OC)c1 445817076 ZVDRCIXIZDOJLS-GFCCVEGCSA-N 445.859 4.301 5 20 IIBD COC(=O)C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccc(OC(F)(F)F)cc1 446496528 TTXZXCCZZDGWCY-INIZCTEOSA-N 441.362 4.228 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(Cc3cccc4ccccc34)o2)c(Cl)c1 446770966 XUNKSNNKUNXJDQ-UHFFFAOYSA-N 444.856 4.176 5 20 IIBD CNc1c(C(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)cccc1[N+](=O)[O-] 462983613 ATQALMYEOBNXOT-UHFFFAOYSA-N 431.514 4.136 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 463957129 FMDOYLLGQJFGOO-ROUUACIJSA-N 426.517 4.143 5 20 IIBD Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 465144154 JUKGHCSTXYFFKW-GOSISDBHSA-N 438.505 4.379 5 20 IIBD COc1ccccc1NC(=O)c1ccc(NC(=O)NCCc2ccccc2[N+](=O)[O-])cc1 466145855 VDUNUJGTHLYGMB-UHFFFAOYSA-N 434.452 4.220 5 20 IIBD O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC(c2cccc(Br)c2)CC1 466785062 ABOOLDSNWHZNMS-UHFFFAOYSA-N 447.285 4.148 5 20 IIBD COC(=O)c1nc([C@H]2CCCN2C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])sc1C 471319787 AAICTMKYLMZVBZ-GFCCVEGCSA-N 443.403 4.142 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2cccc(CN(C)Cc3cscn3)c2)c1[N+](=O)[O-] 479592729 NHYBAVOWIPWKOC-UHFFFAOYSA-N 446.554 4.101 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(-c3ccc4ncccc4c3)on2)c2ncccc12 481854081 JAWMJALMGGYQIP-UHFFFAOYSA-N 447.432 4.147 5 20 IIBD COC(=O)[C@](C)(NC(=O)c1cc(SC)ccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 484347575 HBZVFUWWMTUSKH-GOSISDBHSA-N 443.308 4.442 5 20 IIBD CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 485097167 QIHFORCBMMBTRY-UHFFFAOYSA-N 448.209 4.214 5 20 IIBD O=C(O)CSCc1cccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 485811016 HICIUZZJPHCWPX-UHFFFAOYSA-N 429.479 4.288 5 20 IIBD CC[C@H](NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1cc(F)cc(Br)c1 485851221 VFJNBLULVRUGNB-HNNXBMFYSA-N 440.269 4.184 5 20 IIBD CSc1cccc(C(=O)Nc2cc(C)nn2-c2ccc(C(F)(F)F)cn2)c1[N+](=O)[O-] 486228238 HEWIXXONUSNADI-UHFFFAOYSA-N 437.403 4.477 5 20 IIBD Cc1cccc(NC(=O)Nc2cccc(CNC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)c2)c1 486770413 INDBQXHTTQZSJE-UHFFFAOYSA-N 448.435 4.206 5 20 IIBD CCn1c(Sc2nc(-c3cccnc3)nc3c2CCC3)nnc1-c1ccc([N+](=O)[O-])cc1 490093930 UKUBRGAMBVATID-UHFFFAOYSA-N 445.508 4.365 5 20 IIBD COc1cc(CN2CCC[C@H](C(=O)Nc3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)F 491080899 ACTXGCYZBMKDKX-HNNXBMFYSA-N 449.454 4.098 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(CC)Cc1ccc(Cl)c(Cl)c1 492183838 WAZGVNFZNBFPBO-OAHLLOKOSA-N 428.320 4.183 5 20 IIBD C[C@@H](Oc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)C(F)(F)F 494789048 XPWYNFLATXRCJH-GFCCVEGCSA-N 435.358 4.490 5 20 IIBD CS(=O)(=O)c1cccc([C@@H](NCCc2cccc([N+](=O)[O-])c2)c2ccc(F)cc2F)c1 495009609 QGQUAXXNFISTRD-JOCHJYFZSA-N 446.475 4.198 5 20 IIBD Cc1c([C@H](C)NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)cnn1-c1ccc(F)cc1 497824984 VKOZDELPZRHMNP-AWEZNQCLSA-N 449.442 4.032 5 20 IIBD Cc1cccc([C@H](NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c2ccccn2)c1 498601972 PRYMGPLIUNHOTQ-QHCPKHFHSA-N 428.448 4.131 5 20 IIBD Nc1cccc([N+](=O)[O-])c1C(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 499984338 SZFKVEQHSUMCQF-UHFFFAOYSA-N 449.442 4.159 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCCc2cc(Br)cc(F)c21 502749362 HFHJWZCQSNPNFU-UHFFFAOYSA-N 445.248 4.275 5 20 IIBD C[C@@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccncc2)cc1 506813558 FQAIRQRGDSMTGL-MRXNPFEDSA-N 433.468 4.145 5 20 IIBD O=C(c1ccc(N[C@H]2C[C@H]2c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1)N1CCOCC1 507030280 QAHJLLTYYKJUKI-YJBOKZPZSA-N 435.402 4.054 5 20 IIBD CC[C@@](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)(C(=O)O)c1ccc(Cl)cc1 507310337 HZRJGNPNUVDCNA-VWLOTQADSA-N 448.906 4.314 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(-n3cccn3)c(F)c2)cc1SC 508834856 MZFMLICZBFTWMT-LBPRGKRZSA-N 430.461 4.141 5 20 IIBD O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)[C@H]1CCO[C@@H]1c1ccnn1Cc1ccccc1 510150950 XNSAOOIXGIHUKV-CVDCTZTESA-N 443.463 4.104 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCCc2ccc3c(c2)CCO3)cc1[N+](=O)[O-])c1ccccn1 510740985 KBAGWYZFXWPDPM-INIZCTEOSA-N 432.480 4.070 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1 511441299 BVLZNRZNGFAKQO-INIZCTEOSA-N 427.526 4.269 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1 511973402 PYEBHSPXKJTNKG-UHFFFAOYSA-N 437.930 4.467 5 20 IIBD CC[C@@H](C)n1ncc(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)c1C 512810327 REKGEJXEZGVYLH-SECBINFHSA-N 442.257 4.236 5 20 IIBD COc1ccc(CSc2nnc(Nc3cccc(NC(C)=O)c3)s2)cc1[N+](=O)[O-] 514435037 XZAVYBWKAMAZSI-UHFFFAOYSA-N 431.499 4.449 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCC[C@H]1c1ccc(F)cc1 514945064 VLSSQWUWBNSBMD-IBGZPJMESA-N 433.505 4.250 5 20 IIBD CCOc1cc(NC(=O)[C@@H](C)Sc2ccc(NC(C)=O)cc2)c([N+](=O)[O-])cc1OCC 515603287 PRTYIDBLTUSNSU-CYBMUJFWSA-N 447.513 4.470 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2nnc(-c3ccccc3Cl)s2)cc([N+](=O)[O-])c1 516211619 HITNOQREOXCRFS-UHFFFAOYSA-N 432.845 4.196 5 20 IIBD Cc1ccc(NC(=O)C(=O)N(C)CCCCCc2cc(-c3ccccc3)n[nH]2)cc1[N+](=O)[O-] 516484729 APXQKOMVDLCYQK-UHFFFAOYSA-N 449.511 4.103 5 20 IIBD O=c1c(Cl)c(N2CC[C@@H](Cc3ccc(F)cc3)C2)cnn1-c1ccc([N+](=O)[O-])cc1 522979619 CLGYKQOFPVYZHZ-HNNXBMFYSA-N 428.851 4.002 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)cc1[N+](=O)[O-] 523093227 PDHRSQILPWJGIN-AEFFLSMTSA-N 437.525 4.016 5 20 IIBD CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 523497247 VQHXVRIVZISMRN-MBSDFSHPSA-N 437.540 4.033 5 20 IIBD CC(C)(NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc([N+](=O)[O-])cc1 530743242 RAIUNTVLRXNPIX-UHFFFAOYSA-N 436.434 4.277 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 531954914 DFOXMZSULAQKRG-SJLPKXTDSA-N 431.558 4.175 5 20 IIBD O=C(Nc1ccc(Cl)cc1O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 533616987 LCSQFZGLUZSIGD-UHFFFAOYSA-N 447.856 4.007 5 20 IIBD C[C@@H](c1nc(Cc2ccccc2)no1)[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534063573 XZZLWCVUVINNRJ-AOYOOGHLSA-N 438.465 4.234 5 20 IIBD CN1CC[C@@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 534244289 ZQWXYMZWNOQMJC-SGTLLEGYSA-N 426.275 4.464 5 20 IIBD COC(=O)c1occc1CN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@H](C)c1ccccn1 534957646 MIGMIWUACPKVMK-CQSZACIVSA-N 448.435 4.254 5 20 IIBD Cc1cc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)ccc1[N+](=O)[O-] 537448022 AWTLNMOOCOHFSZ-UHFFFAOYSA-N 446.492 4.277 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2ccc(-c3ccc4c(c3)CCO4)cc2)s1 537640390 COIIREFQWJGTKE-UHFFFAOYSA-N 430.507 4.274 5 20 IIBD C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 538346402 ORJAOTCVHKCJNH-AWEZNQCLSA-N 425.514 4.350 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1cc(Br)ccc1OC(F)F 538832067 PSXHNCKIGPRALY-UHFFFAOYSA-N 445.216 4.287 5 20 IIBD Cc1nnc(CNC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)s1 541872440 MAIXOHSUBYJBDE-UHFFFAOYSA-N 443.535 4.446 5 20 IIBD NC(=O)NCc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)cc1 543456611 PLJNHFGBXDONRN-UHFFFAOYSA-N 428.514 4.298 5 20 IIBD CC(C)C[C@@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])N[C@@H](C)c1ccccc1 543978620 WAJGLZBOVLMHDM-HOCLYGCPSA-N 425.576 4.237 5 20 IIBD Cc1ccc(NCCCNC(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 544427712 TUBKDKUEZJLCLA-WIYYLYMNSA-N 430.480 4.064 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2N2CCN(C)CC2)no1 544958215 NPXJMMLHPNPIRC-OAHLLOKOSA-N 425.514 4.250 5 20 IIBD CN(CCCCCc1cc(-c2ccccc2)n[nH]1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] 546801280 KPVPEJKJLNACGE-UHFFFAOYSA-N 442.541 4.160 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 551805739 DDBMDWDIEUOMEL-UHFFFAOYSA-N 448.957 4.391 5 20 IIBD Cn1ccnc1[C@H](NCc1cc2cc(Br)ccc2[nH]1)c1ccc([N+](=O)[O-])cc1 552282706 JZPLKPLWWXNRJK-LJQANCHMSA-N 440.301 4.451 5 20 IIBD Cc1ccc(-c2noc([C@H]3CN(Cc4ccccc4)C[C@@H]3c3cnn(C)c3)n2)cc1[N+](=O)[O-] 554796242 MHSIFNWYBYZNNQ-RTWAWAEBSA-N 444.495 4.070 5 20 IIBD O=C(NCc1ccc(Oc2ccccc2)cc1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 556215850 TUTOGLJWMFWCLF-UHFFFAOYSA-N 445.475 4.195 5 20 IIBD O=[N+]([O-])c1ccc2nc(N3CCC[C@H](Nc4cccc(Br)c4)C3)nc(O)c2c1 570301983 JHBWNWWBFLVKIZ-AWEZNQCLSA-N 444.289 4.087 5 20 IIBD C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 571390385 FPPRTXSPJYRSSY-HNNXBMFYSA-N 427.508 4.147 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)cc1OC 572202182 FTVKXACTLCDDTN-FUHWJXTLSA-N 436.411 4.010 5 20 IIBD CN(CC(C)(C)CN1CCOCC1)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 573513511 DWVCCVQWQIBLEQ-UHFFFAOYSA-N 442.516 4.209 5 20 IIBD CCN(C(=O)Cc1noc(-c2cc([N+](=O)[O-])cc(Br)c2C)n1)c1ccccc1 578367924 SYHRDDNJZJNAFX-UHFFFAOYSA-N 445.273 4.311 5 20 IIBD C[C@@H](CN(C)c1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])c1nccs1 581512202 RKSPJJYUKLBYRX-AWEZNQCLSA-N 432.527 4.092 5 20 IIBD Cc1cc(I)ccc1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] 603643770 YAUICPSYEMHNIS-UHFFFAOYSA-N 425.226 4.172 5 20 IIBD CCOc1cc(NC(=O)N(C)Cc2ccc(OC)c(OC)c2)c([N+](=O)[O-])cc1OCC 603651617 VMGAABUZMIJHRU-UHFFFAOYSA-N 433.461 4.073 5 20 IIBD O=C(NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 604466738 ZKFVVDAUTBNQQE-KRWDZBQOSA-N 442.947 4.107 5 20 IIBD COc1ccc(CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1NC(C)=O 604536229 OKYUFYIEKLQIBB-UHFFFAOYSA-N 434.452 4.235 5 20 IIBD COCCOc1ccc(F)cc1NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 608945829 DALSPSLCYULUOP-HOTGVXAUSA-N 445.491 4.494 5 20 IIBD CC(=O)N1CCCCC[C@H]1C1CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 609464735 UDJXFQATEZYPSU-KKSFZXQISA-N 441.532 4.209 5 20 IIBD O=C(Nc1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1Cl 609505797 LOYAKNOFVRWMHV-UHFFFAOYSA-N 430.869 4.474 5 20 IIBD COc1cc(CCNC(=O)[C@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC 609514233 MJKQSVNLVGNKKH-CVEARBPZSA-N 438.402 4.093 5 20 IIBD C[C@H](CC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1cccc(F)c1 609693028 SLYWDQZIPKFAEU-GFCCVEGCSA-N 449.485 4.156 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1nc2ccccc2nc1N1CCCC1 609722961 QOSKDOSJDWKEKJ-UHFFFAOYSA-N 441.875 4.199 5 20 IIBD CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl 609787664 QXIVIUOTOMJEIW-UHFFFAOYSA-N 443.853 4.400 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@@H]1[C@H](O)C(F)(F)F 609845699 JTGUKDIHZHVUIO-SJORKVTESA-N 425.363 4.307 5 20 IIBD C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 609925271 JCMHXTCTPIODDJ-NSHDSACASA-N 441.387 4.340 5 20 IIBD CC(C)(C(=O)Nc1cccc(N(CC(N)=O)Cc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 610044642 IQFGHWWVJQMAQO-UHFFFAOYSA-N 446.507 4.003 5 20 IIBD C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 610141483 GBERPJLMKXFVQA-HNNXBMFYSA-N 434.443 4.325 5 20 IIBD COc1ccc(C(N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c2ccc(OC)cc2)cc1 610577173 YLBQSBDINSKANS-QHCPKHFHSA-N 447.491 4.097 5 20 IIBD COc1cc(OCC(=O)N2CCC[C@H]2c2ccccc2Br)ccc1[N+](=O)[O-] 610672384 PTXXMPOUMCIKML-INIZCTEOSA-N 435.274 4.108 5 20 IIBD CN(CC(C)(C)CN1CCOCC1)C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611215850 OBUYEFUOYWQCKB-UHFFFAOYSA-N 435.590 4.060 5 20 IIBD Cc1ccncc1[C@@H](C)NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 611300556 PYLBXXZDSCTZKK-CQSZACIVSA-N 436.434 4.411 5 20 IIBD CN(C)C(=O)c1cccc(COc2c([N+](=O)[O-])cnc3ccc(Br)cc23)c1 612660947 GKYMZSUNHLUHEK-UHFFFAOYSA-N 430.258 4.186 5 20 IIBD COC1CCC(C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)CC1 614809252 LJRDMZVESWRNAZ-UHFFFAOYSA-N 443.569 4.173 5 20 IIBD CCc1ccc(-c2noc(COC(=O)c3cc(SC)c(OC)cc3[N+](=O)[O-])n2)cc1 728651656 WMHOEOZKPYDWEJ-UHFFFAOYSA-N 429.454 4.295 5 20 IIBD COc1ccc2oc(C(=O)OCC3CCN(c4ncccc4[N+](=O)[O-])CC3)c(C)c2c1 729192856 OROSUKBKZYWUBI-UHFFFAOYSA-N 425.441 4.126 5 20 IIBD Cc1cc(Br)ccc1C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730703216 LKAVZVDURDICFH-OAHLLOKOSA-N 447.285 4.127 5 20 IIBD COc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c(Cl)c1 731087466 CNUKFQMYPAPQJM-SECBINFHSA-N 446.765 4.460 5 20 IIBD O=C(OCc1ccccc1)[C@@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 731584832 WFGNCOXKBGFDNI-IBGZPJMESA-N 437.477 4.066 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)NCc2ccccc2CN2CCCCCC2)cc1[N+](=O)[O-] 732940404 PEACWLIJVPOKDG-UHFFFAOYSA-N 426.473 4.117 5 20 IIBD O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1cccc(Oc2nccs2)c1 737329762 KASGUYCULKTNLZ-UHFFFAOYSA-N 440.481 4.312 5 20 IIBD Cc1nn(Cc2ccc(Cl)cc2)c(C)c1/C=C1\N=C(c2cccc([N+](=O)[O-])c2)OC1=O 740774501 ZLHWFXWLLPGFOD-JAIQZWGSSA-N 436.855 4.454 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](O)c1c(Cl)cccc1Cl 740941953 PKPKHWRRLRNINA-XPTSAGLGSA-N 433.675 4.172 5 20 IIBD C[C@@H](c1ccccc1)n1cnn(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1=S 743390521 MCKULRBLKOBWIC-KRWDZBQOSA-N 439.541 4.432 5 20 IIBD Cc1ccc(N2CCOC2=O)cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 743781281 HALHSILKYCEPSH-UHFFFAOYSA-N 438.484 4.348 5 20 IIBD C[C@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)N[C@H](C)c1ccc(F)cc1 747958829 WQEZRQKYUNIGOA-OLZOCXBDSA-N 443.456 4.280 5 20 IIBD O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccnc(OCc2ccccc2)c1 749359777 XNAFANCACJNXFS-UHFFFAOYSA-N 448.479 4.037 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)Cn1c(=O)oc2ccc(Br)cc21 749937026 KNNAILATBBPQAY-UHFFFAOYSA-N 426.654 4.008 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)O[C@H](c2cccc(Cl)c2)C(F)(F)F)cc1[N+](=O)[O-] 750216021 IXVPICLCHMYBCD-CQSZACIVSA-N 437.779 4.112 5 20 IIBD CC(C)(C)OC(=O)NCCc1ccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 751226723 FRSPTUSCNUTUJN-UHFFFAOYSA-N 439.468 4.338 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)c1ccc(N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 751273576 SJKPRYYJSJOFQN-YWZLYKJASA-N 440.500 4.398 5 20 IIBD COc1ccc([C@@H](NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)c2ccccc2OC)cc1 752377831 DVXYDIMWNKRAFT-OAQYLSRUSA-N 428.391 4.410 5 20 IIBD C[C@H](C(=O)N1CCO[C@@H](c2ccccc2Br)C1)c1ccc([N+](=O)[O-])cc1F 754394117 HKYFLPTWEUQYIA-KPZWWZAWSA-N 437.265 4.200 5 20 IIBD Cc1ccccc1-c1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)n(C)n1 755021634 OLXDSNONFJCLRJ-UHFFFAOYSA-N 433.237 4.458 5 20 IIBD CCOC(=O)C1=C(C)Nc2ccccc2N=C1NC(=O)c1cc(SC)ccc1[N+](=O)[O-] 755142163 KIIBOXBEABWGDQ-UHFFFAOYSA-N 440.481 4.039 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F 757937729 JKINTSNWZAKLMT-AWEZNQCLSA-N 447.866 4.099 5 20 IIBD O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)OCCn1cc([N+](=O)[O-])ccc1=O 761362053 YUHMFWPZXSRBTO-UHFFFAOYSA-N 449.438 4.220 5 20 IIBD C[C@@H](C(=O)Oc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 761417755 CVZWPOBMBVJZNS-MRXNPFEDSA-N 440.477 4.129 5 20 IIBD CCCc1ccc(N2C[C@H](c3nc(CCNc4ccccc4[N+](=O)[O-])no3)CC2=O)cc1 761968151 ILOYSGJGWGPWGF-QGZVFWFLSA-N 435.484 4.105 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1ccc2ccccc2c1 763810495 NNHZUDCHFTXPKR-UHFFFAOYSA-N 440.477 4.282 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@H](C)Oc3ccc(Br)cc32)cc1[N+](=O)[O-] 767331361 ZNBSOKDGHITNPC-VIFPVBQESA-N 436.218 4.002 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 769882960 SGUZZTRJEFDSIA-ZDUSSCGKSA-N 426.385 4.396 5 20 IIBD COc1cc(Cc2noc([C@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)c([N+](=O)[O-])c(OC)c1 771745834 LAFZPTKXZOBJLM-NSHDSACASA-N 446.441 4.347 5 20 IIBD CCOc1cc(C(=O)N2CCC(c3ccc(N(C)C)cc3)CC2)c([N+](=O)[O-])cc1OC 773412921 HZQGKWDDGSJJGA-UHFFFAOYSA-N 427.501 4.088 5 20 IIBD CCOc1ccccc1NC(=O)[C@@H](C)OC(=O)c1sc(Br)cc1[N+](=O)[O-] 773614396 UZUUNXHPXNHTGO-SECBINFHSA-N 443.275 4.002 5 20 IIBD COC(=O)N1CCC([C@H](C)NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 776808766 UOZXHHMALFYDLU-HNNXBMFYSA-N 431.464 4.483 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCS(=O)(=O)C2(CCCCC2)C1 777409026 IQVBZLWXKZRITM-UHFFFAOYSA-N 440.587 4.061 5 20 IIBD CC1(NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCN(C(=O)OC(C)(C)C)CC1 779408134 BBSHKWDYPXATFI-UHFFFAOYSA-N 444.435 4.107 5 20 IIBD CCOc1ccccc1NC(=O)[C@H](OC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1 780071351 GHKWZCBSGSQMTM-OAQYLSRUSA-N 436.420 4.236 5 20 IIBD COc1cc(COC(=O)c2cn(C)nc2-c2ccccc2)c([N+](=O)[O-])cc1OCC(F)F 780088598 RXTZWWUVBDTQBI-UHFFFAOYSA-N 447.394 4.005 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1nnnn1-c1c(C)cccc1C 780282016 CMVFCYURISAYTA-UHFFFAOYSA-N 427.486 4.046 5 20 IIBD COC(=O)CCCCCCCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 780897936 LLZIMJKVNQNGSY-UHFFFAOYSA-N 430.451 4.203 5 20 IIBD C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)[C@@H]1CCCN(C2CCC2)C1 781402319 PRFMEGKUWCTJOG-NWDGAFQWSA-N 444.757 4.394 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1nc(-c2ccc(F)c(F)c2)cs1 781563117 ZYHHRVUTECCGMS-UHFFFAOYSA-N 434.380 4.476 5 20 IIBD CC(C)(C)OC(=O)Nc1ccccc1NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781617440 BVBMCCUZOIFKFC-SFHVURJKSA-N 426.429 4.074 5 20 IIBD O=C(Nc1ccc(OC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cc1)C1CCCCC1 781651341 MLEREBISMMEEDV-OAQYLSRUSA-N 437.452 4.212 5 20 IIBD O=C(Oc1cc([N+](=O)[O-])ccc1I)c1coc(-c2ccccc2)n1 781746399 HKFGFEPQLUESON-UHFFFAOYSA-N 436.161 4.074 5 20 IIBD Cc1cc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cnc1Br 782919692 UKQIOLJUCYDURE-UHFFFAOYSA-N 441.090 4.168 5 20 IIBD CCN(Cc1ccc(C(=O)N(C)C)cc1)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 785835159 OQOCYDXOIUAPKZ-UHFFFAOYSA-N 440.378 4.250 5 20 IIBD CCN(C(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1Cl)C(C)C 785995960 AYQOZHONMWZGQK-UHFFFAOYSA-N 434.836 4.279 5 20 IIBD O=C(c1ccnc(Oc2ccc(F)cc2F)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 788726337 SIIHFKWHDDTOKS-UHFFFAOYSA-N 440.406 4.023 5 20 IIBD C[C@@H](OC(=O)CCOc1ccccc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 789352496 HMPHCZCPWACYKD-CQSZACIVSA-N 441.465 4.058 5 20 IIBD Nc1ccc(C(=O)N[C@@H](Cc2ccccn2)c2ccc(Br)cc2)cc1[N+](=O)[O-] 789854948 IBMNRFUMTYWJGS-SFHVURJKSA-N 441.285 4.048 5 20 IIBD CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)cn1 791139183 YVFVMEGRAVNANS-QHCPKHFHSA-N 436.512 4.311 5 20 IIBD Cc1c(CNC(=O)C(=O)Nc2ccc(N(C)C3CCCCC3)c(F)c2)cccc1[N+](=O)[O-] 792313221 LNPQBBREASDZEY-UHFFFAOYSA-N 442.491 4.066 5 20 IIBD COCc1ncsc1C(=O)O[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 792753645 QBQZDQKZGXQWAO-GOSISDBHSA-N 441.465 4.043 5 20 IIBD O=C(NC[C@H]1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1)OCc1ccccc1 794033309 BDJVJZRMTJRUEV-MRXNPFEDSA-N 431.876 4.027 5 20 IIBD CN1C(=O)/C(=C\c2csc(-c3cccc([N+](=O)[O-])c3)n2)c2cc(Br)cnc21 794879524 RVQPTNUXPWDGKR-CHHVJCJISA-N 443.282 4.393 5 20 IIBD O=C(Nc1ccccc1C(=O)OCc1cncc(F)c1)c1ccc([N+](=O)[O-])cc1Cl 795391457 BTSSDXRMXFHOHK-UHFFFAOYSA-N 429.791 4.392 5 20 IIBD CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 799780234 KAJRBQSFHMCBGG-KRWDZBQOSA-N 449.551 4.448 5 20 IIBD CN(C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 806949726 HPNWWSMIOJJBFN-IRXDYDNUSA-N 444.702 4.355 5 20 IIBD C[C@H]1C[C@@H](OC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c2ccsc2S1(=O)=O 809097701 YZYZRLKFBSAVGP-ISVAXAHUSA-N 435.401 4.139 5 20 IIBD CC1(C)CC[C@H](NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c2ccccc21 810357822 YHLWSNNOSIVODA-INIZCTEOSA-N 446.301 4.225 5 20 IIBD COc1cc(/C=C\C(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc(OC)c1O 811137051 PFNWMOAMMBBZJX-ARJAWSKDSA-N 428.224 4.381 5 20 IIBD COc1cc(CCC(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc(OC)c1 811220760 OXOQNPGPCGSWKZ-UHFFFAOYSA-N 428.466 4.412 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 813804825 ZRHMEARWTFMVLT-LJQANCHMSA-N 446.548 4.304 5 20 IIBD COc1cccc(C(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-] 814247728 UEVSXZPGGAZIJO-UHFFFAOYSA-N 446.503 4.392 5 20 IIBD Cc1ccc2nc([C@@H]3CCCN3S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])[nH]c2c1 815006927 LEIRUOCWSNBISX-HNNXBMFYSA-N 438.868 4.098 5 20 IIBD CCCNC(=O)Nc1ccc(CC(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 815202376 VHDMYDPXVSPCSQ-UHFFFAOYSA-N 439.390 4.431 5 20 IIBD Cc1nc(C)c(-c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)o2)s1 864096913 TUMIFEKIPXANOP-UHFFFAOYSA-N 425.879 4.102 5 20 IIBD COc1cc(Br)c(/C=C2/N=C(c3ccc([N+](=O)[O-])c(C)c3)OC2=O)cc1OC 912758538 WEIWAKAIPVOWDB-VGOFMYFVSA-N 447.241 4.027 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)cc1[N+](=O)[O-] 915083104 BSISHWKRXRSSDG-LJQANCHMSA-N 432.864 4.032 5 20 IIBD O=C(NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccc(Cl)cc2)s1 916786470 SVKLDDXWIWKFSM-UHFFFAOYSA-N 436.898 4.237 5 20 IIBD C[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1cc2c(cc1Br)OCCO2 917589526 DDIMYSPYLGSQJM-SNVBAGLBSA-N 438.303 4.176 5 20 IIBD Nc1ccc(C(=O)OCC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 918855566 QGBKMLMVCXZXKD-MRXNPFEDSA-N 438.267 4.004 5 20 IIBD Cc1ccc(NC(=O)c2nnc(COC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)s2)cc1 919211854 UGOWATLYQYYWAM-UHFFFAOYSA-N 438.421 4.110 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1nn(-c2ccccc2F)cc1Br 1256598830 HZMIZTOHDGEJSQ-UHFFFAOYSA-N 437.200 4.382 5 20 IIBD CCN(CC(=O)Nc1c(F)cccc1F)Cc1ccc([N+](=O)[O-])cc1Br 1320533397 HTBWRXCJJYPRDS-UHFFFAOYSA-N 428.233 4.096 5 20 IIBD COc1ccc(Cl)cc1CCNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 1321757927 JCRKIAQGPWEWHX-UHFFFAOYSA-N 442.903 4.091 5 20 IIBD Cc1ccc2nc([C@H]3CCCN3C(=O)c3cc(Br)cc([N+](=O)[O-])c3N)[nH]c2c1 1327146782 YSRGGYWJRWLYDL-OAHLLOKOSA-N 444.289 4.102 5 20 IIBD COc1ccc(NC(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c([N+](=O)[O-])c1 1345729631 NCUJYBWYEHERJN-QGZVFWFLSA-N 425.363 4.228 5 20 IIBD COc1ccc(NC(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)c([N+](=O)[O-])c1 1347509611 MXCUOZOZSHDOBY-SJORKVTESA-N 426.256 4.032 5 20 IIBD CCc1ncsc1C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1 1785749606 FUJKCTDFSGTZKO-UHFFFAOYSA-N 440.481 4.268 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)[C@@H]3CCC=CO3)CCC2)cc1 1786602772 RJCMCBFVQZVHIE-QFIPXVFZSA-N 449.507 4.354 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]3C3CC3)CCC2)cc1 1790806913 FKSCLMJECFAIBC-WOJBJXKFSA-N 449.507 4.403 5 20 IIBD CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3ccc([N+](=O)[O-])o3)n[nH]2)CCCC1 1814964843 PRLIIFPKWPAFLB-UGAXZCSASA-N 441.488 4.197 5 20 IIBD CC(C)(C)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])[nH]n1 1816760261 AIDNSMPPRLQJQH-INIZCTEOSA-N 431.468 4.199 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC(C)C)CC1 1830728669 BFYFOJUWFIREOJ-HXUWFJFHSA-N 433.524 4.322 5 20 IIBD Cc1cccc(F)c1C(=O)N1CCCC12CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1C)C2 1846773152 AIFJTMVYBSCSRD-UHFFFAOYSA-N 445.878 4.135 5 20 IIBD Cn1c(SCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])nnc1-c1ccccc1Cl 9809259 IVCXHPCZGMYHOJ-UHFFFAOYSA-N 438.296 4.428 5 20 IIBD O=C(COC(=O)c1ccc2ccccc2c1O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 10493411 OPIJBMZLNCJCPZ-UHFFFAOYSA-N 434.326 4.268 5 20 IIBD C[C@H](OC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)C(=O)Nc1ccccc1[N+](=O)[O-] 12270292 BNLQZSVOTPWIKQ-LBPRGKRZSA-N 445.378 4.031 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Oc2ccc(NC(=O)c3ccccc3)cc2)cc1OC 15538486 GOEGSKIMDWXYOI-UHFFFAOYSA-N 436.420 4.474 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 16862044 GCJIULUKQMLPBM-MRVPVSSYSA-N 431.754 4.033 5 20 IIBD C[C@@H](Sc1nnc(-c2ccccc2Cl)n1N)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 17653528 SWVVESKUCAHBQU-SNVBAGLBSA-N 443.876 4.124 5 20 IIBD C[C@@H](OC(=O)CCC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 20751378 SEXVPKRIPQUDCM-LLVKDONJSA-N 439.251 4.435 5 20 IIBD C[C@@H](Sc1nnc(C2CC2)n1Cc1ccco1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 21685146 IYCSRXDUFSDLQT-LLVKDONJSA-N 447.904 4.478 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(Cl)c1 22559223 OHVXLXCQQCUDFL-AWEZNQCLSA-N 431.876 4.341 5 20 IIBD CCCCN1C(=O)CC[C@@H](C(=O)OCc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1OC 28238263 LNPQROTZALFIFZ-XXBNENTESA-N 440.496 4.427 5 20 IIBD COc1cc(C(=O)NCCOc2ccc3ccccc3c2)c([N+](=O)[O-])cc1OC(F)F 30446678 DOGZRYKDCNYTTK-UHFFFAOYSA-N 432.379 4.167 5 20 IIBD COc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Br 30510737 CHRUFRLVQNYISN-OLZOCXBDSA-N 436.306 4.352 5 20 IIBD CCOc1cc(C(=O)N(C)Cc2ccccc2OC(F)(F)F)c([N+](=O)[O-])cc1OC 31075899 LWJOKHCZSHNOOW-UHFFFAOYSA-N 428.363 4.173 5 20 IIBD COc1ccc(OC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)c([N+](=O)[O-])c1 105118937 YVEXFEINUNMBEC-KRWDZBQOSA-N 434.448 4.214 5 20 IIBD O=C(Nc1ccccc1C(=O)NCc1ccco1)c1ccc(Br)c([N+](=O)[O-])c1 105339445 IIMCLJRGCPOFEN-UHFFFAOYSA-N 444.241 4.133 5 20 IIBD CS(=O)(=O)c1cccc([C@@H](NCc2cccc([N+](=O)[O-])c2)c2ccc(F)c(F)c2)c1 237469813 ISVYACGEFXBJRU-OAQYLSRUSA-N 432.448 4.156 5 20 IIBD O=C(Nc1cccc(CNc2ncc([N+](=O)[O-])cc2Br)c1)c1ccncc1 301533950 LZBFVSICGWGXBN-UHFFFAOYSA-N 428.246 4.012 5 20 IIBD O=C(NCC1(c2ccccc2Cl)CCOCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 303336590 XZZPJPGHHPHMHR-UHFFFAOYSA-N 429.904 4.301 5 20 IIBD COc1ccccc1Oc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)cc1 410049153 NFSCFRUDMPDVBB-UHFFFAOYSA-N 442.449 4.052 5 20 IIBD CCc1cccc(NC(=O)CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 426126039 IHWUQLXNSRVXRD-UHFFFAOYSA-N 433.464 4.105 5 20 IIBD CO[C@H](c1ccccc1F)[C@H](C)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 426204125 DVXXZJCVIBYALA-GTNSWQLSSA-N 429.370 4.328 5 20 IIBD O=C1CCCC[C@@H]1[C@H]1CCCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br 426892857 BMHCDJFJEQRJMN-SJLPKXTDSA-N 437.334 4.430 5 20 IIBD O=C(c1ccc(I)c(Cl)c1)N1CCc2cc([N+](=O)[O-])ccc21 427417351 USLDKYKUESORJP-UHFFFAOYSA-N 428.613 4.056 5 20 IIBD CSc1ccc(Cl)cc1NC(=O)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 427871629 WMRXWVGLZUCBAN-UHFFFAOYSA-N 447.822 4.244 5 20 IIBD COCCN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])c1nc2ccccc2s1 429916422 AKENXNCMPXWQDY-UHFFFAOYSA-N 436.287 4.260 5 20 IIBD C[C@@H]1CCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC[S@]1=O 430346922 YYGXETXKVUDQNK-DBDZUICISA-N 438.958 4.383 5 20 IIBD Cc1cc(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)n(Cc2ccccn2)n1 430819176 GQICVPTUNQHWBH-CALCHBBNSA-N 448.527 4.278 5 20 IIBD Cc1cc(OCC(=O)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)ccc1[N+](=O)[O-] 430832397 GZENMYZHHILBEW-INIZCTEOSA-N 434.317 4.303 5 20 IIBD CC(C)(C)[S@](=O)Cc1cccc(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c1 432321101 DBKNGJBMALQWGM-WJOKGBTCSA-N 441.509 4.208 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2)c1cccc([N+](=O)[O-])c1 434941367 CNMDXUGBHGLBOP-GXTWGEPZSA-N 430.530 4.018 5 20 IIBD O=C(NCc1cc(Cl)c2c(c1)OCCCO2)c1ccc2[nH]c3ccccc3c(=O)c2c1 435825957 JUPMNFXXUZSJJU-UHFFFAOYSA-N 434.879 4.426 5 20 IIBD C[C@H]1Cc2ccccc2N1CCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436240190 OBWZMKUQKGHIAL-AWEZNQCLSA-N 433.458 4.141 5 20 IIBD COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl 437820873 KPSMHRSJIRKJCY-UHFFFAOYSA-N 433.892 4.053 5 20 IIBD COc1cc(C(=O)Nc2nnc(SCc3cccs3)s2)cc([N+](=O)[O-])c1OC 439119112 NKSWTMBEKPROAE-UHFFFAOYSA-N 438.512 4.070 5 20 IIBD O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCCC[C@@H]2c2ncc(-c3ccccc3)[nH]2)cc1 439202677 MXVSNXYMAJYTNK-OAQYLSRUSA-N 440.525 4.084 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1cccc(Oc2ccccc2)c1 439761681 ZRRRDRWGNMHZOU-UHFFFAOYSA-N 435.436 4.041 5 20 IIBD COc1ccc(C(=O)NCCCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 440602630 OBUDXBHAQBBFEO-UHFFFAOYSA-N 447.491 4.347 5 20 IIBD COc1ccc(CN[C@@]2(CO)CCCc3ccccc32)cc1OCc1ccc([N+](=O)[O-])cc1 441369183 CVJACXUGEVSFPW-AREMUKBSSA-N 448.519 4.496 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)c1 442229865 OHMTXLOAJIRLKN-UHFFFAOYSA-N 441.252 4.285 5 20 IIBD COc1ccccc1O[C@H](C)CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444100901 NRHVKOZGFZBEPQ-CYBMUJFWSA-N 438.430 4.165 5 20 IIBD COc1ccc(-c2nnc(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)s2)cc1 444296058 YYCQVLLJSAWJFQ-UHFFFAOYSA-N 428.473 4.461 5 20 IIBD COc1ccc(CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c2nccs2)c(OC)c1 444496953 YOTXNUBXGVONQT-UHFFFAOYSA-N 438.465 4.397 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2nc3ccccc3n2C(F)F)c([N+](=O)[O-])c1 444663471 OUJLGRUVWJLDMR-VXGBXAGGSA-N 433.415 4.026 5 20 IIBD C[C@@H](c1ccccc1C(F)(F)F)[C@@H](C)NC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 445226324 UFJKVMWQEQPATH-VXGBXAGGSA-N 435.406 4.481 5 20 IIBD CC(C)c1[nH]nc(-c2nc(CC(=O)Nc3ccc(Oc4ccccc4)cc3)no2)c1[N+](=O)[O-] 445365115 JXSFYRJCGNPUQE-UHFFFAOYSA-N 448.439 4.465 5 20 IIBD O=C(Cc1noc(CCNc2ccccc2[N+](=O)[O-])n1)Nc1cc(Cl)cc(Cl)c1 445375777 OZEHWYLMSJPLDR-UHFFFAOYSA-N 436.255 4.120 5 20 IIBD CC(C)n1cnnc1[C@H]1CCCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 447691001 NJNNRHQVPDGYBQ-NSHDSACASA-N 434.369 4.200 5 20 IIBD C[C@H]1C[C@H](NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C(=O)N1c1ccccc1 461291261 GPXXRTAQNOBCOB-JTSKRJEESA-N 444.491 4.131 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(c1nnc(-c3cc4ccccc4o3)n1C[C@@H]1CCOC1)CC2 461516771 KMJMJQKHDRKTNJ-INIZCTEOSA-N 445.479 4.199 5 20 IIBD O=C(NCC1(O)CCC1)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 469824920 NBCSLEAWTQDVIR-UHFFFAOYSA-N 426.416 4.410 5 20 IIBD COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 470586057 ZIKXHFCJPXRJCY-INIZCTEOSA-N 427.682 4.470 5 20 IIBD Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 476831606 QCNZYXHNRXCENH-LJQANCHMSA-N 436.493 4.156 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ncccc2OCc2cccc(Cl)c2)cc1[N+](=O)[O-] 476911147 CWTCWEPSFVFHDU-UHFFFAOYSA-N 449.872 4.032 5 20 IIBD CCC(=O)c1ccc(NCc2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)c([N+](=O)[O-])c1 479371730 OPRGJPCDEIRSML-IYBDPMFKSA-N 425.485 4.049 5 20 IIBD O=C(NCC1CC1)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 480494396 XJFMCANNYPTIND-KRWDZBQOSA-N 439.537 4.124 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O 481365090 SBYMIDQYNPMFOA-AWEZNQCLSA-N 436.390 4.157 5 20 IIBD Cn1c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nnc1-c1cccc(Cl)c1 481374620 PNCJIMKKWWSJTO-UHFFFAOYSA-N 428.861 4.386 5 20 IIBD CCOCCOc1ccc(Cl)cc1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 481630786 WTUBWVLSVBXPCU-UHFFFAOYSA-N 448.907 4.018 5 20 IIBD CCOC(=O)[C@H](c1ccc(Cl)cc1)N(C(=O)c1cccc([N+](=O)[O-])c1OC)C1CC1 484072093 UZZKGXOXRIFNKC-SFHVURJKSA-N 432.860 4.166 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(N)=O)ccc1OCC(F)F 484975201 QWGUPABRBOUVJA-UHFFFAOYSA-N 439.440 4.092 5 20 IIBD COC(=O)c1ccc(C)c(NC(=O)CSc2ccc(Br)cc2[N+](=O)[O-])c1 485275557 NMOZWKPYRNGOBW-UHFFFAOYSA-N 439.287 4.183 5 20 IIBD COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc(OC)c1Br 485525005 FZCQBOOORZYGHS-UHFFFAOYSA-N 447.188 4.228 5 20 IIBD O=C(c1csc(-c2ccc3c(c2)OCCO3)n1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 486099703 YRESNBPWPUQRGB-UHFFFAOYSA-N 437.477 4.294 5 20 IIBD O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 486378317 QAZMHFPGTJBNCM-NRFANRHFSA-N 431.492 4.178 5 20 IIBD CSc1cccc(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)c1[N+](=O)[O-] 486498074 UXCROXFFTUWKAL-OAHLLOKOSA-N 437.315 4.293 5 20 IIBD Cc1ccc([C@H](C)NC(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1[N+](=O)[O-] 488067633 KGFQLRYTQAWASB-NSHDSACASA-N 437.353 4.133 5 20 IIBD O=C(Nc1ccn(-c2ncccc2C(F)(F)F)n1)c1cc([N+](=O)[O-])ccc1OC(F)F 489653087 XLWAWCUFALZETR-UHFFFAOYSA-N 443.288 4.048 5 20 IIBD CCCc1c(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)cnn1Cc1ccccc1 489777535 LGUHESUQLNQVPB-UHFFFAOYSA-N 436.468 4.139 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 490794997 DVBLAJCAARUVGV-ZIAGYGMSSA-N 449.891 4.111 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3cc(OC(F)F)n(C)n3)cc2[N+](=O)[O-])n1 490956606 TZJVSKZLVAWZLU-UHFFFAOYSA-N 441.441 4.098 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)NC[C@H](CO)Cc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] 494450301 ZUQCRZOLOJXXGJ-HUUCEWRRSA-N 439.434 4.133 5 20 IIBD COc1cc(C(=O)NCc2cccnc2OC)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 497813179 QKGCYOSJWMZHPF-UHFFFAOYSA-N 443.843 4.383 5 20 IIBD CCCC[C@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 505517887 XESLIFAEKMXQFS-NRFANRHFSA-N 438.528 4.431 5 20 IIBD CSc1cc2c(cc1NC(=O)c1csc(-c3ccc([N+](=O)[O-])cc3)n1)OCCO2 505855715 QYWPCSWNGHNNTN-UHFFFAOYSA-N 429.479 4.464 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)cc1OC 506243746 NNRFYJLTORSEME-UHFFFAOYSA-N 445.255 4.196 5 20 IIBD O=C(c1ccc(F)cc1)N1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 506420190 DCIOZQVWZIDCHN-UHFFFAOYSA-N 440.500 4.206 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N(Cc1ccco1)c1ccccn1 508943695 VDGABSMOVAZKQI-UHFFFAOYSA-N 449.204 4.034 5 20 IIBD COC(=O)c1c(CC(C)C)csc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 512406013 OKBOYYSRMHKKFK-UHFFFAOYSA-N 428.470 4.079 5 20 IIBD Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2I)cc1OC(F)F 513321485 LOSXDOVWHXIBDO-UHFFFAOYSA-N 448.163 4.362 5 20 IIBD C[C@@H](CCOCc1ccccc1)NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 513669718 OLWMFJFIDWQUIM-SFHVURJKSA-N 427.501 4.143 5 20 IIBD Cc1ccc(CN[C@H](c2cccc([N+](=O)[O-])c2)c2nccn2C)c(OC[C@@H]2CCCO2)c1 513716374 ASFNXLRAKGIYGW-JTHBVZDNSA-N 436.512 4.074 5 20 IIBD CO[C@H](C)c1nc(CN2CCCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cs1 514218084 HRWULUQKHITOAT-CYBMUJFWSA-N 444.479 4.490 5 20 IIBD Cc1c(NC(=O)[C@@H](C)NCc2ccccc2CN2C[C@@H](C)C[C@@H](C)C2)cccc1[N+](=O)[O-] 515758040 WDXYZHZFSMPBRZ-WSTZPKSXSA-N 438.572 4.498 5 20 IIBD CC[C@H]1CO[C@@H](C)CN1C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 517303453 QDHXDFUBFWCDBM-PXNSSMCTSA-N 434.496 4.016 5 20 IIBD COc1cc(C(=O)NCC2(N[C@@H](C)c3ccccc3)CCCC2)c([N+](=O)[O-])cc1OC 518335677 WFGLPIVQGYDMPZ-INIZCTEOSA-N 427.501 4.005 5 20 IIBD C[C@@H](Nc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)cc1)c1ccccc1 518867558 NKBLFGGSDBOIEC-OAHLLOKOSA-N 439.493 4.424 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(Oc3ncccn3)cc2C)cc1[N+](=O)[O-] 518942242 CTTPPDWARTUBLO-UHFFFAOYSA-N 440.481 4.366 5 20 IIBD COc1ccc(C2(CNC(=O)COc3ccc([N+](=O)[O-])c(OC)c3)CCCCC2)cc1 519057845 WCIYJJJYYGNQTA-UHFFFAOYSA-N 428.485 4.009 5 20 IIBD CCOc1cccc2cc([C@@H](C)NC(=O)CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])oc12 521723610 QVCCJWAFWJFCIL-GFCCVEGCSA-N 445.859 4.000 5 20 IIBD CCn1c(SCCOc2ccc(OC)cc2[N+](=O)[O-])nc2sc(C)c(C)c2c1=O 525110254 ZOEUXYXIBRGAME-UHFFFAOYSA-N 435.527 4.183 5 20 IIBD C[C@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)NC2CC2)cc1 525354481 KJFJEKVEIRBOFN-INIZCTEOSA-N 439.516 4.262 5 20 IIBD COc1cc(F)cc2sc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])nc12 530711940 RCXJRKFCOHAFPK-UHFFFAOYSA-N 426.223 4.367 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc3c2CN(c2nccs2)C3)cc1OC 534006122 RLCIKQWTBYGWAN-UHFFFAOYSA-N 440.481 4.231 5 20 IIBD COC(=O)c1ccc(C)c(NC(=O)CSCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1 534060262 VXSFSPUEFANJGC-UHFFFAOYSA-N 441.465 4.217 5 20 IIBD C[C@@H](c1ccccc1F)N(C)C(=O)c1cc(I)cc([N+](=O)[O-])c1 534287549 SMICJOJVUMZWHZ-JTQLQIEISA-N 428.201 4.172 5 20 IIBD O=C(c1ccc(F)cc1Cl)N1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 534848565 MZVZLORUOJLNIP-UHFFFAOYSA-N 444.850 4.000 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3cn(C)nc3-c3ccccc3)cc2)c(C)c1[N+](=O)[O-] 536926534 YRNMEPGGXWHFOB-UHFFFAOYSA-N 430.468 4.109 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)c1 537362475 KDHPTDZYCXAJKP-OAHLLOKOSA-N 434.876 4.380 5 20 IIBD CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])O[C@H](C)C2 537590816 WWZRSOCZVNUFHX-XVGQJIODSA-N 444.915 4.433 5 20 IIBD O=[N+]([O-])c1cc(CN2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)ccc1Oc1ccc(F)cc1 539841097 YDEXBADAJKSYGV-RXVVDRJESA-N 434.489 4.068 5 20 IIBD CCc1nc2ccccc2n1C1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 540056011 AFKXJPVLDJJHBT-QGZVFWFLSA-N 435.528 4.479 5 20 IIBD C[C@@H](C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccc([N+](=O)[O-])cc1F 541732131 WUSBRWFQLSTIDO-CJNGLKHVSA-N 439.409 4.247 5 20 IIBD C[C@H](C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccc([N+](=O)[O-])cc1F 541732133 WUSBRWFQLSTIDO-XJKSGUPXSA-N 439.409 4.247 5 20 IIBD CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)n1 541788596 MJFGKIUBTMPEIO-AWEZNQCLSA-N 436.534 4.484 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)N[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)n2)cc1F 542610337 KRDHWHQBEUMSFO-UONOGXRCSA-N 427.436 4.079 5 20 IIBD Cc1nn(-c2ccccc2)c2nc(-c3nc(CCNc4ccccc4[N+](=O)[O-])no3)ccc12 544537638 JHHUXQKOYNEOHF-UHFFFAOYSA-N 441.451 4.342 5 20 IIBD COc1ccc(-n2c(C)nnc2SCc2nc(-c3ccc(C)c([N+](=O)[O-])c3)no2)cc1 545564911 OJKPZPPPAYKRAV-UHFFFAOYSA-N 438.469 4.143 5 20 IIBD COc1cc(OCc2nc(Cc3ccc(OCc4cccnc4)cc3)no2)ccc1[N+](=O)[O-] 546328666 YNJREWICVWQKLD-UHFFFAOYSA-N 448.435 4.130 5 20 IIBD C[C@@H](Nc1ccc(-c2nc(-c3ccncc3N(C)C)no2)cc1[N+](=O)[O-])c1ccccn1 547256666 VPTAIEFNYZMLLM-CQSZACIVSA-N 431.456 4.341 5 20 IIBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1-c1nc2ccccc2s1 547775790 NZHPGQZISDRDDN-UHFFFAOYSA-N 432.461 4.240 5 20 IIBD Cc1cc(C)n(-c2ccc(CCNC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)cc2)n1 555315707 QUHOUSCEQKWQHP-UHFFFAOYSA-N 432.402 4.389 5 20 IIBD COc1cccc(CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]2CCCO2)c1 557034210 KACAASSRFUIJSV-JOCHJYFZSA-N 437.496 4.482 5 20 IIBD O=C(Nc1ccc(F)c(N2CCCNC2=O)c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 557957481 DTNTXSSGBKSUDD-UHFFFAOYSA-N 441.444 4.029 5 20 IIBD CCOc1cc(C(=O)NCc2ccc3c(c2)nc(CC)n3C2CC2)c([N+](=O)[O-])cc1OC 558811651 ALCNYTZSOMUGFV-UHFFFAOYSA-N 438.484 4.179 5 20 IIBD O=C(NCC(c1ccccc1)c1ccccc1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 559430010 LWPLWZIWGYMLAB-UHFFFAOYSA-N 443.503 4.034 5 20 IIBD CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CC[C@@H](C(F)(F)F)CC1 563475805 MFUSTKNPMPJDBF-PHIMTYICSA-N 438.244 4.349 5 20 IIBD Cc1c(NC(=O)N2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)cccc1[N+](=O)[O-] 571919340 RUZHNIGWZJOMDV-KRWDZBQOSA-N 425.363 4.407 5 20 IIBD COc1ccc(-c2nc(CN3CCN(c4c(Cl)cncc4[N+](=O)[O-])CC3)cs2)cc1 589104733 ZFJOLQPIPFEQPK-UHFFFAOYSA-N 445.932 4.098 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N[C@@H]1CC[C@@](O)(C(F)(F)F)C1 590118695 ZPTXAWGXUWOIQK-ACJLOTCBSA-N 425.363 4.355 5 20 IIBD CCOc1cc(NC(=O)C[C@@H](NC(C)=O)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OCC 590646969 IHCDNZVIHUBOCR-MRXNPFEDSA-N 449.891 4.252 5 20 IIBD O=C(Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)N[C@@H](c1ccccc1)c1cccc(Cl)c1 603911874 NAHXKXCAIAWVSJ-NRFANRHFSA-N 437.839 4.062 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 604570272 MEPVQKIBWMZCQS-UHFFFAOYSA-N 449.442 4.279 5 20 IIBD COc1ccc(S(=O)(=O)N[C@H](C)c2sc(-c3ccc(C)cc3)nc2C)c([N+](=O)[O-])c1 609352822 FYZQHMXUTGKGIM-CQSZACIVSA-N 447.538 4.383 5 20 IIBD COc1ccccc1[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 609387881 WYKQXJGIZVBLAT-FQEVSTJZSA-N 432.885 4.325 5 20 IIBD COc1cc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc(Cl)c1OCC(C)C 609837893 HNYGGWVWPARNAR-HNNXBMFYSA-N 448.907 4.013 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@H]1[C@H](O)C(F)(F)F 609845698 JTGUKDIHZHVUIO-IRXDYDNUSA-N 425.363 4.307 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CN3CCc4c(F)cc(Br)cc4C3)n2)c1 610729133 QDQVSZWJKIFMHI-UHFFFAOYSA-N 433.237 4.105 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@@H](C)C[C@H]2CCOC2)c([N+](=O)[O-])c1 610734938 VWJZRWKQQDRYFT-DLBZAZTESA-N 433.530 4.037 5 20 IIBD O=C(N[C@H](CC(F)(F)F)c1ccc(Br)cc1)c1cc(O)cc([N+](=O)[O-])c1 612646510 KJHFYVGTMZHJTK-CQSZACIVSA-N 433.180 4.486 5 20 IIBD Cn1cnc([N+](=O)[O-])c1-c1noc(C2(c3ccc(Br)cc3)CCCCC2)n1 618418147 OCIGONFWRDOWBM-UHFFFAOYSA-N 432.278 4.391 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2csc(Cc3ccc(F)cc3)n2)cccc1[N+](=O)[O-] 727019458 JEVVUOKASVYDMK-ZDUSSCGKSA-N 443.456 4.274 5 20 IIBD CC(C)[C@H](C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CCCCC1 729305655 UXTZZCAMVGWHMH-OAQYLSRUSA-N 425.485 4.263 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)c1cnc(C2CC2)s1)c1cccc([N+](=O)[O-])c1 729324787 HULKODHVVHOJEH-MRXNPFEDSA-N 429.498 4.171 5 20 IIBD CCCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 729420258 DSUSIIZZROSQJW-SFHVURJKSA-N 446.548 4.057 5 20 IIBD COc1ccccc1C[C@H](C)CC(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 730693328 WHKLEIPLPLWXIS-KRWDZBQOSA-N 427.501 4.027 5 20 IIBD COc1c(C)cnc(CN2CCC(N(C)c3nc4ccc([N+](=O)[O-])cc4s3)CC2)c1C 731210334 WAJPHDFIPQEPDX-UHFFFAOYSA-N 441.557 4.326 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)cc1[N+](=O)[O-] 732291753 NCJCNARIFTVIAE-UHFFFAOYSA-N 426.404 4.452 5 20 IIBD C[C@H](OC(=O)c1cc(Cl)nc(N2CCCC2)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 733022144 NSBFOLAALZJCCH-LBPRGKRZSA-N 443.847 4.211 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1 733252129 FIRZYEDBAMCERB-UHFFFAOYSA-N 441.252 4.285 5 20 IIBD O=C(COC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccccc1C(F)(F)F 735148135 LNXAJHQCUOIUTE-UHFFFAOYSA-N 446.765 4.218 5 20 IIBD O=[N+]([O-])c1ccc(/C(O)=C(/C(=S)NC2CCCCC2)[n+]2cccc(O)c2Cl)cc1 735665987 MBENWNRGVPWTHH-UHFFFAOYSA-O 434.925 4.375 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Nc1ccccc1SC[C@@H](O)c1ccccc1 736536177 AVVHUWFVSFNADG-GOSISDBHSA-N 448.497 4.360 5 20 IIBD O=C(OCc1noc(-c2ccc(Cl)cc2)n1)c1ccc([N+](=O)[O-])cc1Br 740409607 GFUQDOAJKBVEHY-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)[C@](C)(O)c1cccc(C(F)(F)F)c1 741351712 SOKILUPSOVNXDM-LJQANCHMSA-N 427.375 4.352 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCCc1c[nH]c2ccc(Cl)cc12 742419943 WTOHLWBSOBOAII-UHFFFAOYSA-N 429.832 4.380 5 20 IIBD O=C(O[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccc(Cl)c([N+](=O)[O-])c1 744476210 UXEJJJFVGBZYSY-INIZCTEOSA-N 440.786 4.202 5 20 IIBD O=C(O[C@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 744491584 QNGJYPVWLYRKER-FQEVSTJZSA-N 443.887 4.201 5 20 IIBD C[C@@H](OC(=O)c1ccccc1-c1nc(C(C)(C)C)no1)C(=O)Nc1ccccc1[N+](=O)[O-] 744933026 LGXKNBHWXGXZJH-CYBMUJFWSA-N 438.440 4.126 5 20 IIBD CN(C)CCn1ccc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Br)cc21 745983191 PJEVYDVMVALPGH-UHFFFAOYSA-N 431.290 4.126 5 20 IIBD COc1ccc2cc(/C=C\C(=O)O[C@@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)ccc2c1 746259147 PTSIWEXJQCMQQC-IUZNHRGFSA-N 438.411 4.479 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCc3cccc(F)n3)c([N+](=O)[O-])c2)c(C)c1 747844256 DJPVCAPWCYZLQQ-UHFFFAOYSA-N 430.461 4.159 5 20 IIBD Cc1nc(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nn1-c1ccccc1C(C)C 750207671 KDUWDSWISRVMTF-UHFFFAOYSA-N 448.439 4.014 5 20 IIBD Cc1cc(Cl)c(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cc1Cl 752857057 GKTSHZGVPKJCIX-SNVBAGLBSA-N 426.231 4.341 5 20 IIBD O=[N+]([O-])c1ccc(-c2ncn(CN3CCC[C@H](COc4ccccc4Cl)C3)n2)cc1 753960554 CVNQHFZNUDVFFH-INIZCTEOSA-N 427.892 4.255 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])ccc1Br)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 754704199 MKOBWSPBDRIZBT-KDOFPFPSSA-N 437.265 4.489 5 20 IIBD C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 755032012 VPNLZTGGUKUAFM-KPHLJTLVSA-N 440.319 4.320 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 758796084 QMUAUCURNVKATO-QWHCGFSZSA-N 445.438 4.379 5 20 IIBD COc1ccc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)cc1NC(=O)OC(C)(C)C 759674909 NSYBJKIVOCAWJA-UHFFFAOYSA-N 430.461 4.315 5 20 IIBD COc1cc(-c2nc(COC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)cs2)ccc1O 762902788 DHZNNPVOYLKCQA-UHFFFAOYSA-N 425.422 4.271 5 20 IIBD CCc1cccc(CC)c1NC(=O)[C@@H](C)OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 763868507 ALIQSJCDISYYFR-OAHLLOKOSA-N 436.468 4.089 5 20 IIBD O=[N+]([O-])c1cnc(N2CCC(O)(c3ccccc3C(F)(F)F)CC2)c(Br)c1 764913520 HRCXZHHLUDJQSK-UHFFFAOYSA-N 446.223 4.259 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 765620315 UHOQKTUKIHHKFF-UHFFFAOYSA-N 428.794 4.391 5 20 IIBD COc1cc(C(=O)OCc2nc(-c3c(F)cccc3F)cs2)c([N+](=O)[O-])cc1OC 768011171 OFYATRBUIJZKAW-UHFFFAOYSA-N 436.392 4.371 5 20 IIBD Cc1nn(Cc2ccc(C(=O)OC[C@@H]3CCO[C@@H]3c3ccccc3)cc2)c(C)c1[N+](=O)[O-] 769343568 GGCBYIOAYYWXGY-JTHBVZDNSA-N 435.480 4.391 5 20 IIBD Cc1cccc(-c2nc(C)c(C(=O)OCC3CCN(c4ncccc4[N+](=O)[O-])CC3)[nH]2)c1 772651897 JMXMRZOFRASRFB-UHFFFAOYSA-N 435.484 4.070 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1ccc(COc2ccccc2)cc1 774313725 NABILKDJHGZAGN-UHFFFAOYSA-N 439.855 4.082 5 20 IIBD O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCO[C@H](c2ccc(F)c(Br)c2)C1 775173217 LKCKFTJOIVNWSJ-HNNXBMFYSA-N 443.656 4.364 5 20 IIBD C[C@H](OC(=O)c1ccc(-c2csc(N)n2)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 775878727 KTVRWHLBFOAQNX-NSHDSACASA-N 437.437 4.269 5 20 IIBD CC[C@@H](C(=O)OC1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1)c1ccc(OC)cc1 776089423 CIMKMIHYHCBTGO-HXUWFJFHSA-N 428.485 4.318 5 20 IIBD Cc1ncsc1/C=C\C(=O)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 777235623 AXLWWRTZMHGBDV-XZVRFQMRSA-N 429.498 4.001 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)c1ccc(OCc2cccnc2)cc1 778811396 RJNPEUXOUXNCHS-HXUWFJFHSA-N 437.427 4.144 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(CS(=O)(=O)C(F)F)cc1 779466221 PBBYOQFWJIZYIC-UHFFFAOYSA-N 438.330 4.003 5 20 IIBD C[C@@]1(C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCCOC1 781287427 RFUGEWUUADJLKW-GHTZIAJQSA-N 432.860 4.288 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@@H](c2nc(-c3cccc(OCc4cccnc4)c3)no2)C1 781612877 BNOHLKOGYVUAOW-OAQYLSRUSA-N 443.419 4.485 5 20 IIBD C[C@H](OC(=O)c1cccc([N+](=O)[O-])c1Br)C(=O)Nc1cccc(Cl)c1 781672773 FYGSCILIYAMCAV-VIFPVBQESA-N 427.638 4.195 5 20 IIBD CCN(C(=O)[C@H](C)OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCCC1 783314790 DWOZTGJWFDVFCR-AWEZNQCLSA-N 431.514 4.445 5 20 IIBD CC(C)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1[N+](=O)[O-] 784255774 DINNOQWGIGLDOC-NSHDSACASA-N 435.820 4.464 5 20 IIBD Cc1cc(COC(=O)c2cnn([C@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)ccc1[N+](=O)[O-] 784930081 ROROIEMWSXTEMG-SFHVURJKSA-N 444.488 4.029 5 20 IIBD C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 790207572 SYKITFKLNSWSGA-CQSZACIVSA-N 447.875 4.193 5 20 IIBD C[C@H](c1ccccc1F)N(C)S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] 795806321 UJHLQTQZJQVCSQ-SECBINFHSA-N 435.246 4.017 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1 798523369 JJIFHQFWFWBACM-KSFYIVLOSA-N 431.920 4.044 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)OC(C)(C)C)C1 799235344 WSRMCFLFLYGWPL-USXIJHARSA-N 448.520 4.151 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 799261142 OPPODCYOFPVKNU-UHFFFAOYSA-N 446.891 4.214 5 20 IIBD COC(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(Cl)cc1Cl 800931117 YYJAZBXHEFOXHU-UHFFFAOYSA-N 439.660 4.142 5 20 IIBD CCC[C@@H]1CCc2c(sc(=O)n2CNNc2cc([N+](=O)[O-])ccc2Br)C1 802742702 UVHGZOHJHRPRHK-LLVKDONJSA-N 441.351 4.060 5 20 IIBD CC1(C)CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)[C@@H]1c1cccs1 805149606 KDUXRZUCTPEXAT-CQSZACIVSA-N 431.333 4.191 5 20 IIBD Cc1c(Br)cc(C(=O)OCCc2nnc(-c3ccccc3)o2)cc1[N+](=O)[O-] 806110896 SVXGGNWNDFONON-UHFFFAOYSA-N 432.230 4.115 5 20 IIBD CC(C)(c1nc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)no1)S(=O)(=O)C1CC1 809364000 QTNLFXNGQACTKH-UHFFFAOYSA-N 429.454 4.249 5 20 IIBD O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)cc1Cl 809808121 XWWVJIXUTPDTIP-NSHDSACASA-N 439.852 4.097 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCO1 809953271 KOOKDLNTVIEOEI-XHDPSFHLSA-N 434.320 4.016 5 20 IIBD CN(Cc1ccc(C(C)(C)C)cc1)C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810350285 FRCAAFXHDHCCQH-UHFFFAOYSA-N 448.317 4.252 5 20 IIBD COc1ccc(F)cc1CN1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 813377695 MMQIRMRDDIVQCA-UHFFFAOYSA-N 442.274 4.007 5 20 IIBD O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCN(Cc2cccc3cccnc23)CC1 813392066 KRWYIAYWSBFWFI-UHFFFAOYSA-N 445.306 4.408 5 20 IIBD Cc1cc(Cl)c(C(=O)OCC(=O)Cc2ccc(Br)cc2)cc1[N+](=O)[O-] 815405805 KFNICARQSJAGSQ-UHFFFAOYSA-N 426.650 4.288 5 20 IIBD C[C@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(-n2cccn2)c(F)c1 816285720 HZTYFKRJFBUGFY-INIZCTEOSA-N 438.459 4.440 5 20 IIBD O=C(NCc1ccc(OC(F)F)c(F)c1)c1cc(F)cc([N+](=O)[O-])c1Br 818528473 UDDBHKKGPMHTOZ-UHFFFAOYSA-N 437.143 4.167 5 20 IIBD Cc1ccc(CN2CC[C@@H](CN(C)C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)C2)s1 819732630 AJQUEZGFXRNQIW-SFHVURJKSA-N 442.585 4.159 5 20 IIBD Nc1cc(-c2noc(-c3ccc([N+](=O)[O-])c(Sc4ccc(Cl)cc4)c3)n2)ncn1 821001885 FSDQFUANMAXVSF-UHFFFAOYSA-N 426.845 4.489 5 20 IIBD COc1ccc2c(COC(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)cc(=O)oc2c1 823244208 UAPUYEYFXKVTDL-UHFFFAOYSA-N 438.436 4.057 5 20 IIBD O=C(COC(=O)c1ccc(CN2CCCCC2)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 913239851 PEATZZUBBLDDHM-UHFFFAOYSA-N 431.876 4.030 5 20 IIBD C[C@H](OC(=O)COc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 914801007 PGSSZLCHYJUFJU-JTQLQIEISA-N 446.765 4.216 5 20 IIBD COc1ccc(CSCC(=O)OCC(=O)c2oc3ccccc3c2C)cc1[N+](=O)[O-] 914916508 UFFQZHKZRGRNKV-UHFFFAOYSA-N 429.450 4.317 5 20 IIBD O=C(COC(=O)c1csc(Cc2ccccc2)n1)Nc1ccc(Cl)cc1[N+](=O)[O-] 915451561 HRJQQTHMEVHCHB-UHFFFAOYSA-N 431.857 4.091 5 20 IIBD COc1ccc([N+](=O)[O-])cc1OC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 915826044 IWGPEVBWXOFCQX-UHFFFAOYSA-N 441.823 4.472 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@@H](C)c1ccc(F)c(F)c1 918764510 HXBQLXBTHOTSLB-KPZWWZAWSA-N 438.452 4.029 5 20 IIBD CC(C)[C@H](OC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C(=O)Nc1cccc2ncccc12 919526807 RTVCWCLLWFQKJZ-NRFANRHFSA-N 432.436 4.444 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1[N+](=O)[O-] 919857833 ALFRKWPPGYCCJR-UHFFFAOYSA-N 431.514 4.004 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC(=O)c1cccc(C(F)(F)F)c1 920777345 CJIWSEBVPYFAMA-SNVBAGLBSA-N 431.750 4.460 5 20 IIBD CC(C)(c1nnc(-c2cn(-c3ccccc3)nc2-c2ccccc2)o1)n1cc([N+](=O)[O-])cn1 1257730891 NDCFEZIZTRNJHZ-UHFFFAOYSA-N 441.451 4.477 5 20 IIBD COc1ccc(NC(=O)NC[C@@H](O)c2cccc(OCc3ccccc3)c2)c([N+](=O)[O-])c1 1520129562 ORVNMTJAXAAWRC-JOCHJYFZSA-N 437.452 4.038 5 20 IIBD O=C(/C=C/c1cccc(O)c1)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1 1785751874 MIAQZYHJEVJVTF-VZUCSPMQSA-N 447.447 4.355 5 20 IIBD Cc1cc(CCCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CC(C)(C)C)c([N+](=O)[O-])cc1F 1795473096 ZASZBSOKTQFCGG-REPLKXPHSA-N 447.551 4.439 5 20 IIBD CC/C=C(\C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(F)c2[N+](=O)[O-])n[nH]1 1821175143 URHNNUSAXFKYJB-BNXPMYBGSA-N 429.452 4.119 5 20 IIBD Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])n[nH]2)o1 1823501325 QMALHENDEMNKOR-FMAYLGMYSA-N 449.467 4.239 5 20 IIBD O=C(C1=CCCC1)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1824838155 DCIRXFOIQZSONA-QHCPKHFHSA-N 439.556 4.257 5 20 IIBD C/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)CC1 1830293148 STHQOKODLJOXRC-JSYMXFIJSA-N 439.556 4.212 5 20 IIBD CC1(C)CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)C1 1831927976 CEJKCAUBRIMATR-JOCHJYFZSA-N 441.572 4.193 5 20 IIBD Cc1ccc2cc(C(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)Cc3cccc([N+](=O)[O-])c3)sc2c1 1847208182 HECDTEIXCZFULM-PMACEKPBSA-N 449.532 4.176 5 20 IIBD COc1ccccc1Nc1nnc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)s1 3494316 ORTSVZACJBZTFP-UHFFFAOYSA-N 432.483 4.357 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@@H](C)Sc1ccc(Cl)cc1 21610580 RAIYMIJQZVGUTM-NWDGAFQWSA-N 438.889 4.308 5 20 IIBD O=C(COC(=O)CC(c1ccccc1)c1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 26423091 JELWZATZZDINLI-UHFFFAOYSA-N 448.431 4.027 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])s1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 28366902 SRYIYEUHJYJETI-UHFFFAOYSA-N 442.293 4.489 5 20 IIBD C[C@H]1C[C@H](C)CN(C(=O)COc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)C1 28609938 UVGZWGBTSIILFI-HOTGVXAUSA-N 436.464 4.252 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)Cc1csc(COc2ccc(Cl)cc2)n1 31930730 JPFRQMLOFKSEOD-UHFFFAOYSA-N 431.901 4.485 5 20 IIBD Cc1cc(NC[C@@H](O)COc2ccc(C(F)(F)F)cc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 60861535 SJZHYCHLAQTGHR-QGZVFWFLSA-N 448.401 4.231 5 20 IIBD Cc1ccc(-n2c(SCCOc3ccccc3[N+](=O)[O-])nnc2N2CCCC2)cc1 71961301 ZSJWMDXITDRZQF-UHFFFAOYSA-N 425.514 4.255 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)NC2CCC(c3ccccc3)CC2)cc1OC 105918200 NUILWEADCQNTMA-UHFFFAOYSA-N 428.485 4.085 5 20 IIBD O=[N+]([O-])c1ccc(N(Cc2ccco2)Cc2cccs2)c(S(=O)(=O)N2CCCC2)c1 247354902 XILKEAYRWNDPDW-UHFFFAOYSA-N 447.538 4.241 5 20 IIBD Cc1cc2nnc(SCCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)n2c2ccccc12 261452353 PZOQORQJEKPXSB-UHFFFAOYSA-N 435.465 4.189 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N2CCC(Oc3ccccc3Cl)CC2)c([N+](=O)[O-])c1 301801965 CNXFJSXAMZXMPW-UHFFFAOYSA-N 440.887 4.261 5 20 IIBD CO[C@@H]1CCC[C@H](OC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 302691530 XNMJPHXOMNYNEI-YADHBBJMSA-N 435.480 4.491 5 20 IIBD C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(-n2cccn2)cc1 426021815 KHSGJVIUTHZFQX-CYBMUJFWSA-N 433.390 4.360 5 20 IIBD CC(C)(c1nc(-c2cn3ccc(Br)cc3n2)no1)c1ccccc1[N+](=O)[O-] 426588627 QUGGDVQVMQQGQY-UHFFFAOYSA-N 428.246 4.381 5 20 IIBD Cc1c(NC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc(Br)cc1[N+](=O)[O-] 431224309 NLFXDPHAURHNET-HIFRSBDPSA-N 446.301 4.214 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)c(Br)c1 432258042 JGTXFAPZSOUEHM-KRWDZBQOSA-N 437.315 4.273 5 20 IIBD CCn1cc(-c2ccc(OCc3cc(OC)c(OCC(F)F)cc3[N+](=O)[O-])cc2)nn1 432305584 CJKKDKKXLURQES-UHFFFAOYSA-N 434.399 4.105 5 20 IIBD Cc1cc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)n([C@H]2CCN(Cc3ccccc3)C2)n1 435278424 GAYZGYFDXKUVMW-IBGZPJMESA-N 439.903 4.452 5 20 IIBD O=C(CCS(=O)(=O)C1CCCC1)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435450009 YDQNBLGHTVNACY-UHFFFAOYSA-N 440.568 4.494 5 20 IIBD COc1cccc(C(=O)N[C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1[N+](=O)[O-] 435564859 QJGVCWMPWWLUPS-CQSZACIVSA-N 437.427 4.486 5 20 IIBD O=[N+]([O-])c1ccc(Nc2cccc(C(F)(F)F)c2)c(NCc2nnc3n2CCOC3)c1 435665380 PWQGECNYJRVAFN-UHFFFAOYSA-N 434.378 4.091 5 20 IIBD CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 435870390 FSIOZYVAQZODBD-UHFFFAOYSA-N 434.467 4.500 5 20 IIBD CC(C)NC(=O)Cc1ccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1 436099350 LEEXGYGNBFUFTI-UHFFFAOYSA-N 449.457 4.279 5 20 IIBD CCOC(=O)[C@H](C)NC(=O)c1ccc(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 437245177 IVMVUAHUVKAFAM-HNNXBMFYSA-N 437.452 4.148 5 20 IIBD Cc1cc(NC(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)nn1C 439612955 SUXDAPMRLDDFTM-VBKFSLOCSA-N 433.493 4.816 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C 440027532 KSSCYHGUIKEWAV-INIZCTEOSA-N 440.500 4.258 5 20 IIBD Cc1ccc(C(=O)N(C[C@H]2CCN(Cc3ccccc3)C2)CC(F)(F)F)cc1[N+](=O)[O-] 440429504 BYEPMQRZJKIDRZ-SFHVURJKSA-N 435.446 4.430 5 20 IIBD COCc1nc(CN[C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c(-c2ccccc2)s1 442863034 BSMPYXKXIBOBSW-OAHLLOKOSA-N 440.525 4.372 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@H](c2nc3ccc(F)cc3o2)C1 443648402 MZMJXPUDLCTKGS-AWEZNQCLSA-N 440.431 4.053 5 20 IIBD Cc1nc(COc2ccc(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)cc2)no1 444009242 JPGOITSIRRPOBB-UHFFFAOYSA-N 426.432 4.204 5 20 IIBD CCc1[nH]nc(C(=O)N[C@@H](c2cccc(SC)c2)c2cc(F)ccc2F)c1[N+](=O)[O-] 444292540 NYPCSTJBDAJQSH-KRWDZBQOSA-N 432.452 4.400 5 20 IIBD COc1cc(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)ccc1OC1CCCC1 445496282 WYKMVQWBEVJGIQ-UHFFFAOYSA-N 425.485 4.193 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(-c3ccc4c(c3)nc(C(F)(F)F)n4C(C)C)n2)n1C 445622418 ANLCRNIHPHKPNM-UHFFFAOYSA-N 435.366 4.303 5 20 IIBD C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccccc1OC(F)F 445715816 JAKJTKNJUOLOJX-JTQLQIEISA-N 429.217 4.379 5 20 IIBD COc1cc(Cc2noc(-c3cnc(OCC4CC4)c(Cl)c3)n2)c([N+](=O)[O-])c(OC)c1 445815665 NHRKGHXAAAXKNK-UHFFFAOYSA-N 446.847 4.090 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC1CCN(C(=O)c2ccc(C)cc2)CC1 447800040 PAIIJVDARDAQTL-UHFFFAOYSA-N 431.876 4.060 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](c2ccccc2Cl)OC[C@H]1C 460229927 FIGUDYIHOQGNBR-KUHUBIRLSA-N 427.892 4.493 5 20 IIBD COc1cccc([C@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])N2CCCC2)c1 463474460 QOPNCBVJRHLCEO-IBGZPJMESA-N 437.418 4.189 5 20 IIBD COc1cccc([C@@H](C)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 463857950 RWMAPBWOUMIQEU-CQSZACIVSA-N 437.418 4.141 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCC2(Cc3ccccc3)CCC2)ccc1[N+](=O)[O-] 466647751 JEVXOHINEUXHQS-JOCHJYFZSA-N 435.524 4.037 5 20 IIBD C[C@H](C[S@](C)=O)N(C)C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 468298506 PNOOTBBDZBVWJP-MUDIAHQHSA-N 426.947 4.238 5 20 IIBD C[C@H](O)C[C@H]1CCCCN1C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 468580229 VGSLXNLZTYEGOJ-FDDCHVKYSA-N 448.523 4.142 5 20 IIBD O=C(N[C@@H](c1ccc(Cl)cc1)C1CCC1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 469377742 VTFFXQPNFUFBQG-OAQYLSRUSA-N 441.871 4.173 5 20 IIBD CC(C)[C@H](NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C 470627034 OUKZNIGTKOTINH-YWZLYKJASA-N 442.516 4.259 5 20 IIBD CC[C@@H](NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)C1CCOCC1 470663190 WDBLSWYNLZDZKF-OAHLLOKOSA-N 427.288 4.022 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(-c2csc(C)n2)o1 478314689 NLSQYWAJXJLKBX-UHFFFAOYSA-N 433.511 4.288 5 20 IIBD CC(=O)N[C@H](C)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 478693574 PFAMRGXBKLAMDS-OAHLLOKOSA-N 433.574 4.254 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1 479068923 ZKHXTKLGLQNCML-UHFFFAOYSA-N 431.427 4.222 5 20 IIBD Cn1cc(C(=O)N2CCc3cc(Br)cc(F)c32)c(-c2ccc([N+](=O)[O-])cc2)n1 479154235 HDBPHUPBTFZBLG-UHFFFAOYSA-N 445.248 4.100 5 20 IIBD O=C1CN(Cc2ccc(Cl)cc2)C(=O)N1Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 479184403 PXGPQWBNNGJCBI-UHFFFAOYSA-N 427.766 4.231 5 20 IIBD CCOC(=O)[C@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1cccc(C)c1C 485777142 YFRNWMBJPNOOAY-CQSZACIVSA-N 441.303 4.070 5 20 IIBD CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 487712298 XZYRPXKAMRSADY-IAGOWNOFSA-N 427.526 4.123 5 20 IIBD COc1c(F)cc(S(=O)(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)cc1[N+](=O)[O-] 488220107 UFMKFRADWGGZDD-UHFFFAOYSA-N 428.747 4.216 5 20 IIBD CN(Cc1cccc(Br)c1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 488275056 WXLMHHDJXNNIRH-UHFFFAOYSA-N 426.698 4.395 5 20 IIBD CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)c(C)c1 488359473 LQZDWTUMDXGMLZ-HNNXBMFYSA-N 445.541 4.422 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)c(C)c([N+](=O)[O-])c1 489093586 VVXKFMMFQIWBAD-MRVPVSSYSA-N 432.380 4.048 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 494498699 WGSYKQDCYSONAW-UHFFFAOYSA-N 447.900 4.207 5 20 IIBD C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 499263929 GVJOELPDTGAJGP-ZDUSSCGKSA-N 425.466 4.198 5 20 IIBD CC(C)C[C@@H]1CCCN1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 500171593 KYQCTDCNPHRAQT-SFHVURJKSA-N 431.514 4.046 5 20 IIBD Cc1ccc(NC(=O)C(=O)N[C@H](C)c2ccccc2OCc2ccccc2)cc1[N+](=O)[O-] 502717326 YTOHWSWPFXEEOX-QGZVFWFLSA-N 433.464 4.298 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)c([N+](=O)[O-])c1 503094642 JZXVWYSIFZYDCT-LEOXJPRUSA-N 433.512 4.363 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@H](C)[C@@H]3CCCOC3)c([N+](=O)[O-])c2)c(C)c1 503272901 AVAPMFJKOWMBFJ-IAGOWNOFSA-N 433.530 4.239 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(-n2nccc2C(F)(F)F)cc1 505690159 NGLVHOUACDYZLI-UHFFFAOYSA-N 434.378 4.033 5 20 IIBD Cc1cc(NC(=O)C2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)no1 506259266 OWUBUEZLNNGHSE-UHFFFAOYSA-N 426.498 4.470 5 20 IIBD CCc1cccc(OC[C@@H](O)COc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 506337159 IIDHPVHJALQHRX-NRFANRHFSA-N 436.464 4.228 5 20 IIBD COc1cc(CCNC(=O)N[C@]2(c3ccc(Cl)cc3)C[C@H]2C)c([N+](=O)[O-])cc1OC 507063289 OQOYCKPJKKMWFY-LRTDBIEQSA-N 433.892 4.042 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N1CCC[C@@H]1c1cccc(F)c1 509384508 ROVWHORLBYWDPW-MRXNPFEDSA-N 440.212 4.316 5 20 IIBD COc1ccc(Br)c(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 509487005 GWHGFMZTJXTXFW-UHFFFAOYSA-N 436.306 4.486 5 20 IIBD Cc1c(Br)cc(C(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)cc1[N+](=O)[O-] 509634854 MTESJYUXLNCBCQ-CYBMUJFWSA-N 436.281 4.061 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCCc2ccc3c(c2)CCO3)cc1[N+](=O)[O-])c1ccccn1 510740987 KBAGWYZFXWPDPM-MRXNPFEDSA-N 432.480 4.070 5 20 IIBD CCOc1cc2c(cc1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)O[C@H](C)C2 510812698 GDWPVFOICHCSKY-LLVKDONJSA-N 437.399 4.240 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 514225332 MXDQUGXAQUGNHM-QFIPXVFZSA-N 447.470 4.367 5 20 IIBD CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)c2cc3ccccc3c3cccnc23)cc1 516781540 QUMZHXNYQHIGKC-UHFFFAOYSA-N 447.560 4.347 5 20 IIBD CCC(CC)[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1 517117308 UOIXTLFLURXIAN-SFHVURJKSA-N 435.427 4.428 5 20 IIBD CC(C)[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 521267947 GYSZNZVPLMJMTJ-ZUOKHONESA-N 434.876 4.300 5 20 IIBD C[C@@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)NCc1ccco1 521545203 NXMXNTMHOVNTSL-CYBMUJFWSA-N 443.843 4.068 5 20 IIBD Cn1nc(-c2ccccc2)c2c(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)[nH]nc21 522371941 JOURRAHQZIKBMU-UHFFFAOYSA-N 445.464 4.247 5 20 IIBD COc1cc(C(=O)N[C@@H](COCc2ccccc2)c2ccccc2)cc([N+](=O)[O-])c1OC 524983195 PLSBRFQLGBENNX-FQEVSTJZSA-N 436.464 4.300 5 20 IIBD COc1ccc([C@@H](NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)c2ccc(C)cc2)cc1 525020750 IPDNDZFEQSHPBS-QFIPXVFZSA-N 436.464 4.448 5 20 IIBD O=C(c1ccc(Oc2ccccc2Cl)nc1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 530592261 JIORQYYYNVZHAP-UHFFFAOYSA-N 438.871 4.398 5 20 IIBD CCOc1cc(CNc2cc(C)on2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 537506559 SRXZPSMBTFGVEQ-UHFFFAOYSA-N 441.440 4.348 5 20 IIBD COc1cc(CN2CC[C@H](CN3CCCCC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 538751122 QKBLNQAORLRFEY-JOCHJYFZSA-N 439.556 4.490 5 20 IIBD COc1ccc(CNCc2cccc(C(=O)N(C)C)c2)cc1OCc1ccc([N+](=O)[O-])cc1 539411658 WNQUOTGZKCQQGI-UHFFFAOYSA-N 449.507 4.174 5 20 IIBD CC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(F)cc1F 540386732 DQRYUPWSFIHGGQ-HNNXBMFYSA-N 428.233 4.315 5 20 IIBD COc1cc(CN2CCc3c(cccc3OC)C2)c([N+](=O)[O-])cc1OCC(F)(F)F 541243447 BBLGNYWWABGKLJ-UHFFFAOYSA-N 426.391 4.111 5 20 IIBD COc1ccc(OCCOc2ccc(NC(=O)c3ccccc3OC)cc2)c([N+](=O)[O-])c1 542980797 CVJBLTHBKPRNHJ-UHFFFAOYSA-N 438.436 4.322 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1 543905746 CAWFYOQWYCVOIT-UHFFFAOYSA-N 430.464 4.311 5 20 IIBD Cc1cc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)ccc1-n1nnnc1C(C)C 544317361 YPMWDSCEHWZTKF-UHFFFAOYSA-N 435.488 4.199 5 20 IIBD O=[N+]([O-])c1ccc2[nH]nc(-c3nc(Cc4c[nH]c5ccc(Br)cc45)no3)c2c1 544800687 RUPXSILCQBDUEK-UHFFFAOYSA-N 439.229 4.356 5 20 IIBD CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C 545133459 UBRBQJXNZUUSGW-UONOGXRCSA-N 440.525 4.475 5 20 IIBD COc1ccc(CSCc2nc(Cc3ccc(-n4cccn4)cc3)no2)cc1[N+](=O)[O-] 546307881 FMOPDCZIGHLIPE-UHFFFAOYSA-N 437.481 4.196 5 20 IIBD COc1ccc2cccc(Cc3noc(Cc4cc5c(cc4[N+](=O)[O-])OCCO5)n3)c2c1 547162839 OYRXEROSMXRZLK-UHFFFAOYSA-N 433.420 4.092 5 20 IIBD Cc1ccc(Cl)c2sc(NC(=O)c3ccc(N4C(=O)CCC4=O)c([N+](=O)[O-])c3)nc12 553490924 SFOUPAFQSDQCMA-UHFFFAOYSA-N 444.856 4.072 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ccccc1OC(F)F 560170016 DCDJHCIVUKEZBN-LBPRGKRZSA-N 435.427 4.310 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(Cc3c(Cl)cccc3Cl)no2)c1N1CCOCC1 561385357 SPLNGNUWXKPMPY-UHFFFAOYSA-N 435.267 4.379 5 20 IIBD CC[C@](C)(NC(=O)c1ccccc1)c1noc(C(C)(C)c2ccc([N+](=O)[O-])cc2F)n1 562901379 LJOHDUDOYRLBMH-QFIPXVFZSA-N 426.448 4.498 5 20 IIBD CC[C@H](C)Sc1ccc(NC(=O)C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c(C)c1 566401208 MUSUAVWCILEJKI-INIZCTEOSA-N 429.542 4.433 5 20 IIBD COc1cc(-c2nc([C@@H](OC)c3ccc(Br)cc3)no2)cc([N+](=O)[O-])c1C 568326413 BGDIYGRLNNHMNS-INIZCTEOSA-N 434.246 4.460 5 20 IIBD C[C@H](C(=O)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1)c1cccc([N+](=O)[O-])c1 572097578 WFVUGBXWBWAWIA-IBGZPJMESA-N 445.523 4.054 5 20 IIBD Cc1cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)n(-c2cccc(C(F)(F)F)c2)n1 592945043 DLKADVHPJPLXIF-UHFFFAOYSA-N 434.330 4.089 5 20 IIBD COc1cccc([C@@H](Nc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)c2ccccc2Cl)c1 600850294 WJTVDBIUCDQURP-HXUWFJFHSA-N 447.900 4.106 5 20 IIBD CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 603940958 BBQXDKMRMZTLPZ-UHFFFAOYSA-N 444.831 4.078 5 20 IIBD Cc1nc(-c2ccc(Cl)c(Cl)c2)n(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)n1 604531890 BPAZWTSVRRPNDR-UHFFFAOYSA-N 432.267 4.058 5 20 IIBD CC(C)(C)C[C@@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(F)cc1 609392188 UNLOOXAUAKTTCX-MRXNPFEDSA-N 435.883 4.411 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ccc(-c2cnc(C3CC3)o2)cc1 609393510 BIFXNLTZVMHLAT-UHFFFAOYSA-N 440.843 4.149 5 20 IIBD O=C(C[C@H]1CCc2ccccc21)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 609651220 SBLAAOYPCGRRDS-MRXNPFEDSA-N 433.430 4.382 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cccc(CNCc3ccc(C)c([N+](=O)[O-])c3)c2)cc1 609677626 SFIRURVYYWQTEJ-UHFFFAOYSA-N 441.509 4.002 5 20 IIBD COC(=O)Cc1sc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)nc1-c1ccccc1 609784614 GSNQGVVSYPBROX-UHFFFAOYSA-N 445.884 4.268 5 20 IIBD Cc1ccc(NCCCNC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)c([N+](=O)[O-])c1 610052594 KVSATYHHYVOEOW-UHFFFAOYSA-N 449.389 4.204 5 20 IIBD CCN([C@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1OC 619479817 QEUQIVVXVSJIRM-GFCCVEGCSA-N 432.420 4.394 5 20 IIBD CN1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 619872258 MJQGZMFSMACJSS-SFHVURJKSA-N 433.574 4.143 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C 725797498 DEFITNKZFFGLRB-QZTJIDSGSA-N 446.548 4.096 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Br)Nc1cccc(C(F)(F)F)c1 725986160 TVCKELJROHYXIU-UHFFFAOYSA-N 447.163 4.172 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])OCc1nnc(-c2c(Cl)cccc2Cl)o1 726638948 BCGLCPFPESSJJX-UHFFFAOYSA-N 438.223 4.464 5 20 IIBD Cc1nn(CCC(=O)OCc2csc(Cc3ccc(Cl)cc3)n2)c(C)c1[N+](=O)[O-] 726646986 GMJIUSOGGRNAJX-UHFFFAOYSA-N 434.905 4.242 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC[C@H]1CCCc2ccccc21 729220476 WYPRYOMIKXNFHT-NQIIRXRSSA-N 442.537 4.110 5 20 IIBD O=C(OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1ccc(OC2CCCC2)cc1 730704204 RIPBVNOCOUZPNU-SFHVURJKSA-N 438.480 4.378 5 20 IIBD Cc1ccc(COc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1 732048028 QMNSCXBLYOYRMC-UHFFFAOYSA-N 443.437 4.191 5 20 IIBD O=C(O[C@@H]1CCN(c2ccccc2Cl)C1=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 732333789 VICRULYOPOWTSO-QGZVFWFLSA-N 443.868 4.334 5 20 IIBD O=C(CCNC(=O)OCC(F)(F)F)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 735250265 AGCPSKAWNBOEEB-UHFFFAOYSA-N 427.335 4.004 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H](O)c1cc(Cl)cc(Cl)c1 736177869 LMTLBLQTSYPWLT-HNNXBMFYSA-N 433.675 4.174 5 20 IIBD CN1C(=O)C[C@H](COC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@H]1c1cccc(Cl)c1 737382969 UZAZQYHEIOSJSN-ZUOKHONESA-N 427.844 4.106 5 20 IIBD Cc1c(C(=O)N[C@@H](CC(C)C)C(=O)OCc2ccccc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 737564623 ALNHIVDUACVORJ-SFHVURJKSA-N 443.456 4.008 5 20 IIBD O=C(c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CCC2(CCCC2)CC1 737989835 WYQXWEUKKOSWLU-UHFFFAOYSA-N 444.509 4.159 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)c1ccc(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 742425795 HZNIIEWTDBMQCM-ZDUSSCGKSA-N 435.502 4.328 5 20 IIBD Cc1cc(-c2noc([C@H](C)OC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)n2)ccc1F 743123181 NTEGXALBWLXHCR-ZDUSSCGKSA-N 437.387 4.196 5 20 IIBD CC(C)=CC(=O)NCc1ccc(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 744157377 UGFHYRGAAOGOTB-UHFFFAOYSA-N 435.436 4.189 5 20 IIBD CC(C)[C@H](OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NCc1ccccc1F 745569734 ZKNHOPJOKBOBHU-KRWDZBQOSA-N 442.365 4.251 5 20 IIBD C[C@H](C(=O)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 747101821 LIICMUZWKVVQSV-QMMMGPOBSA-N 437.688 4.164 5 20 IIBD Cc1cc(N2CCSCC2)ccc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 748638416 BSCPJPLKCJVXJL-UHFFFAOYSA-N 430.486 4.234 5 20 IIBD CC[C@@H](Oc1ccccc1F)C(=O)OC1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 749036478 HAGIOZOXBWSDAE-LJQANCHMSA-N 432.448 4.112 5 20 IIBD O=C(NCc1ccccc1-n1ccnc1)c1cc(Br)cc([N+](=O)[O-])c1Cl 749575470 ARVBFLYTGIACCT-UHFFFAOYSA-N 435.665 4.126 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)c1ccc(N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 751273571 SJKPRYYJSJOFQN-MGPUTAFESA-N 440.500 4.398 5 20 IIBD CCOC(=O)CC[C@@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 752218360 BZEDXUOCNZYWTJ-NSHDSACASA-N 447.713 4.206 5 20 IIBD C[C@@H](OC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)c1ncc(-c2ccc(Cl)cc2Cl)o1 753392246 KMFAYWODUSLDGV-SNVBAGLBSA-N 438.223 4.023 5 20 IIBD C/C(=C/C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1OC(F)F 753532635 JQPFFMIKCWSMCF-FLIBITNWSA-N 440.786 4.435 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)cc2[N+](=O)[O-])n1 753977187 SCSBURHZVROUFC-UHFFFAOYSA-N 432.439 4.377 5 20 IIBD C[C@H](OC(=O)c1c(Cl)ccc(F)c1N)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 754112389 GZWZPMMSDQVHGE-ZETCQYMHSA-N 449.744 4.172 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N(Cc1ccccc1)C[C@H]1CCCO1 754967817 JBJDGACIYWFJOG-OAHLLOKOSA-N 437.265 4.318 5 20 IIBD CN(Cc1nccn1Cc1ccccc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br 755010934 FKABPNJSXOELFY-UHFFFAOYSA-N 447.264 4.013 5 20 IIBD C[C@H](N[C@@H](C)c1nc(-c2cccc(F)c2)no1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 755040198 QHYGLTLFEKAAPR-QWRGUYRKSA-N 433.827 4.115 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Oc1cccc(NC(=O)c2ccco2)c1 755319628 IHUZCVHSQFIWEZ-UHFFFAOYSA-N 445.225 4.351 5 20 IIBD C[C@H](C(=O)O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccc(Br)s1 759930397 JENWMEQGMQHVFI-TUAOUCFPSA-N 428.308 4.446 5 20 IIBD Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 760072515 UKUJRDWRNKMGCE-MRXNPFEDSA-N 430.896 4.263 5 20 IIBD O=C(NCc1cccc(N2CCOC2=O)c1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 763933210 ZWOKJEWGYWDZQO-UHFFFAOYSA-N 446.463 4.094 5 20 IIBD C[C@H](CCc1ccccc1[N+](=O)[O-])Nc1cc(Cl)ccc1OCCS(C)(=O)=O 768515905 MZUAKNCLJXCVKJ-CQSZACIVSA-N 426.922 4.105 5 20 IIBD O=C(Oc1ccccc1)N1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 769302650 UZKOKTVNOKKMSX-UHFFFAOYSA-N 434.290 4.064 5 20 IIBD C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 770015645 IZFRPVZRCAZFNF-AWEZNQCLSA-N 445.907 4.387 5 20 IIBD COc1ccc2[nH]cc(C3CCN(S(=O)(=O)c4cc(C)c(F)c([N+](=O)[O-])c4)CC3)c2c1 771739539 XADBSRSHZSKNAQ-UHFFFAOYSA-N 447.488 4.101 5 20 IIBD C[C@@H](NC(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)[C@@H]1CN(C)CCO1 771766139 TYWICRZBTCIZTA-OSPHWJPCSA-N 428.532 4.382 5 20 IIBD CCc1nc(C(=O)O[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)co1 772383094 ILXYYSPUGDYLRX-SFHVURJKSA-N 429.816 4.335 5 20 IIBD COc1ccc(C(C)(C)C(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)cc1OC 773441120 FMZWWJYQJMUPIQ-UHFFFAOYSA-N 438.274 4.396 5 20 IIBD C[C@H](OC(=O)c1sc(Br)cc1[N+](=O)[O-])c1nnc(-c2cccs2)o1 773605202 NVPLGHUTQZUWFD-LURJTMIESA-N 430.261 4.448 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCC(N(C)C)CC3)cc2)cc1SC 774844281 YJRGYBTWMCAUBF-UHFFFAOYSA-N 444.557 4.108 5 20 IIBD CC(C)(C)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2I)c1O 775448353 OYOHWVMOCFNOPO-UHFFFAOYSA-N 440.237 4.455 5 20 IIBD C[C@@H](C(=O)Nc1cccc(NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1)n1cccn1 776832343 BFXVOULGDQNQRW-KRWDZBQOSA-N 434.500 4.072 5 20 IIBD O=C(N1CCC2(CCN(Cc3ccccc3)C2)CC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 778056194 BPAVLLRAHLOZDH-UHFFFAOYSA-N 429.467 4.201 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1occc1CN1C(=O)Cc2ccccc21 778330801 NTZBAICYHHSTAB-UHFFFAOYSA-N 426.812 4.288 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 779163274 SDVORVGNNGYPST-OCCSQVGLSA-N 428.327 4.092 5 20 IIBD CCC[C@@H]1C[C@@H](C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCO1 780169192 MACNTXQXMOIKKQ-JLJPHGGASA-N 447.513 4.184 5 20 IIBD O=C(OCCC1OCCO1)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 781130489 PNPMKVWWQJHSDX-UHFFFAOYSA-N 432.479 4.276 5 20 IIBD C[C@H](OC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C(=O)c1c[nH]c2ncccc12 781257275 RVBMUUARVQEFGY-NSHDSACASA-N 447.397 4.264 5 20 IIBD COc1ccc(NC(=O)CCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1[N+](=O)[O-] 782809565 CMUDYGJYPLJAJV-UHFFFAOYSA-N 440.500 4.197 5 20 IIBD Cc1c([N+](=O)[O-])cn(CC(=O)Nc2ccc(-c3ccccc3)cc2)c(=O)c1Br 783925190 SKKKFZYWDXSOKL-UHFFFAOYSA-N 442.269 4.133 5 20 IIBD O=C(Cc1nc(-c2ccc(F)cc2)cs1)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 787004736 QEPHROMDQWRFEH-UHFFFAOYSA-N 440.412 4.193 5 20 IIBD O=C(O[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1)c1cnc(-c2ccccn2)s1 787025925 LXWDLVMITMDNTM-CQSZACIVSA-N 428.445 4.078 5 20 IIBD Cc1c(C(=O)NCc2nc(-c3ccccc3F)cs2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 787848181 UCODUVPJLBDKIW-UHFFFAOYSA-N 430.417 4.312 5 20 IIBD Cc1ccc(CN2CCSCC2)cc1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790616787 YCUSXNIXRNVGAO-UHFFFAOYSA-N 437.924 4.426 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)Nc2ccc(F)nc2F)cc1[N+](=O)[O-] 791737990 XRMJECAGIFCIPJ-UHFFFAOYSA-N 429.404 4.473 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(-n2ccc(C(F)(F)F)n2)cc1 791778944 MZYACULTLZYHGC-UHFFFAOYSA-N 436.302 4.065 5 20 IIBD CCc1ccc(N2CCN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cc1Cl 796135052 IDDIBSDJNFXYTL-UHFFFAOYSA-N 427.892 4.183 5 20 IIBD Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)OCCn1c([N+](=O)[O-])cnc1C 797549907 IALDMIOUXRZLDQ-UHFFFAOYSA-N 425.228 4.227 5 20 IIBD Cc1[nH]c(C=O)cc1C(=O)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 801409560 VSIHTSFBEIGODE-LJQANCHMSA-N 441.827 4.234 5 20 IIBD O=[N+]([O-])c1cc(CN2CCN(c3cc(C(F)(F)F)ccn3)CC2)ccc1Br 801541485 HDJOMKUECSYBCB-UHFFFAOYSA-N 445.239 4.093 5 20 IIBD CN(C(=O)COC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)c1ccc([N+](=O)[O-])cc1 802613514 FOSQSCUUDCYLPJ-XNWCZRBMSA-N 442.777 4.486 5 20 IIBD O=C1C[C@H](c2noc(-c3cc([N+](=O)[O-])ccc3N3CCCCC3)n2)CN1c1ccccc1 809414583 YKFGUCGWFOMXPT-INIZCTEOSA-N 433.468 4.156 5 20 IIBD COCCn1c(-c2cccc3cccnc23)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 812069552 CHYOFFPJXBGAPN-UHFFFAOYSA-N 444.495 4.217 5 20 IIBD CCCCC(=O)O[C@H](c1ccccc1)[C@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 864021893 HJRWEMREEILRJV-KKSFZXQISA-N 434.514 4.079 5 20 IIBD Cc1ccc(OCCC(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)c(C)c1 914406183 RMSNDHXAUPGIBE-UHFFFAOYSA-N 438.484 4.468 5 20 IIBD Cc1c(C(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 915181307 RBLUZIIYCMNMNO-KBPBESRZSA-N 440.456 4.182 5 20 IIBD C[C@@H](OC(=O)c1cc2cc(Br)ccc2o1)C(=O)Nc1ccccc1[N+](=O)[O-] 915424761 ZLNWEKSLQADPDP-SNVBAGLBSA-N 433.214 4.288 5 20 IIBD C[C@H](NC(=O)/C(=C/c1cccs1)n1nnnc1-c1ccccc1)c1cccc([N+](=O)[O-])c1 917701285 NOAKORNJTNGVDS-CPOQMQJTSA-N 446.492 4.185 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 920202400 WMROVVGQGSMKDW-UHFFFAOYSA-N 445.809 4.371 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1OC(=O)[C@@]1(F)CCOC1 1323429859 ZONFZLAPLFXAAG-GOSISDBHSA-N 443.214 4.188 5 20 IIBD C[C@H](Oc1ccccc1)C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1 1791350578 UMPBDHCBFDLCJH-INIZCTEOSA-N 448.479 4.138 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1sccc1Cl 1800524590 IALZKBXIXLEGJN-BTTYYORXSA-N 437.880 4.014 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@H]1C[C@@H]3CC[C@H]1C3)C2 1800698911 JKFNHAKUFSQMBN-MJJLTSLDSA-N 443.519 4.120 5 20 IIBD CCCCC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)[nH]n1 1822008088 MFEWZDAMVCOHCS-YOEHRIQHSA-N 430.509 4.168 5 20 IIBD C[C@@H]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1828486236 NJFDHOHCJINCOD-URZJWIJPSA-N 445.535 4.403 5 20 IIBD C/C=C/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830623021 RHIKHRVLXSXWRJ-ZJJSWAHQSA-N 429.492 4.100 5 20 IIBD O=C(COC(=O)COc1ccc(Cl)cc1Cl)Nc1ccc([N+](=O)[O-])cc1Cl 11024777 OSVZOIOPIKPISC-UHFFFAOYSA-N 433.631 4.116 5 20 IIBD Cc1ccc(C(=O)OCC(=O)Nc2ccc(Br)cc2Cl)cc1[N+](=O)[O-] 11576496 DJICQTFPRXKMLX-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2ccc(N3CCCCC3)cc2)c1 16195855 BGIKDMQHRCKYHP-UHFFFAOYSA-N 429.498 4.103 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])c(C)n1CC(F)(F)F 16405930 VOYRZGTWPCHKAG-UHFFFAOYSA-N 433.770 4.024 5 20 IIBD O=C(OCCCOC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cc(Cl)ccc1[N+](=O)[O-] 18032237 PJAWEHZFHZATJP-UHFFFAOYSA-N 443.195 4.214 5 20 IIBD O=C(COC(=O)CCSc1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 22038534 KRCDNBSHVGEPDE-UHFFFAOYSA-N 446.378 4.417 5 20 IIBD CC1CCC(NC(=O)COc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)CC1 22090578 QBHLECSJAIJFEW-UHFFFAOYSA-N 436.464 4.442 5 20 IIBD Cc1sc2[nH]c(CSc3nc4cc5ccccc5cc4c(=O)n3C)nc(=O)c2c1C 24969834 AXHHYHWJXCNRLF-UHFFFAOYSA-N 434.546 4.294 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1ccc(COCc2ccccc2)cc1 32441850 QIDYBCUPIPHGRF-UHFFFAOYSA-N 426.494 4.099 5 20 IIBD COCCN(C(=O)c1ccc(COC)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 58998640 AAFGCIHSHVQFCV-UHFFFAOYSA-N 427.482 4.158 5 20 IIBD CCOc1cc(CN(C)S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])ccc1OC(F)F 60499293 GVJIPGHJXUNDAO-UHFFFAOYSA-N 444.456 4.032 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)CC1 60962031 OKWXVIJEVMVGKM-SFHVURJKSA-N 448.527 4.245 5 20 IIBD Cc1nc(C2(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)CCCCCC2)no1 64908496 BMQPSZADKAWUEN-UHFFFAOYSA-N 427.486 4.389 5 20 IIBD Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 64973793 FUBFZUMACBIBKB-CQSZACIVSA-N 433.892 4.348 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCN(CC2CCCCC2)CC1 65114912 MVIWHRUMKWUOAG-UHFFFAOYSA-N 428.558 4.447 5 20 IIBD CC(C)Oc1ccc(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cn1 108832340 AEVDDQRUQYERAI-MRXNPFEDSA-N 435.484 4.275 5 20 IIBD Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 109909202 RONYXZZZRMDKPS-UHFFFAOYSA-N 427.411 4.253 5 20 IIBD COc1ccc([C@@H]2CCN(C(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)C2)cc1 109928327 MGTWPRJRIPGISN-OAQYLSRUSA-N 434.496 4.095 5 20 IIBD COc1ccc(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)c([N+](=O)[O-])c1 195581312 XHRISCPUEKGFLY-UHFFFAOYSA-N 432.436 4.171 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NC1CCN(CC2CCCCC2)CC1 301243332 NDEMYSYBJHGAIC-UHFFFAOYSA-N 431.505 4.048 5 20 IIBD O=[N+]([O-])c1cc(Br)cnc1Oc1ccc(S(=O)(=O)c2ccccc2)cc1 301674314 GSYYBLGKRALXMC-UHFFFAOYSA-N 435.255 4.377 5 20 IIBD C[C@H](Cc1nc2ccccc2s1)Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] 301756454 YIKHJUNYTAZXTA-SNVBAGLBSA-N 427.454 4.244 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3ccc4ccccc4c3)n2)cc1[N+](=O)[O-] 303452708 JXCYRWLVHUSDBK-UHFFFAOYSA-N 447.472 4.466 5 20 IIBD CCS(=O)(=O)c1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)c1 410240960 OGCDNOFDDMYWHQ-UHFFFAOYSA-N 436.555 4.067 5 20 IIBD CCn1ccnc1[C@@H]1CCCCN1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 430961068 BPJDTNPUERDFSA-INIZCTEOSA-N 425.411 4.267 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)O 431525522 PZGVONXIAXHUNG-GOSISDBHSA-N 426.856 4.004 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)cc1 432462977 UPYVVLYWHJPRBH-UHFFFAOYSA-N 441.252 4.285 5 20 IIBD COC(=O)COc1ccc(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c2ccccc12 433269534 IGFBUZXFWUIKBD-UHFFFAOYSA-N 437.452 4.357 5 20 IIBD COc1ccc(C2(CNC(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])CCCCC2)cc1OC 433769850 YMARFHWUSYDWFF-UHFFFAOYSA-N 430.505 4.090 5 20 IIBD CC(C)CCOc1ccc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 437043823 GMUVJLISAFORSA-UHFFFAOYSA-N 425.485 4.149 5 20 IIBD Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c1C 439123385 KPRBBLXNGZMSSI-HXUWFJFHSA-N 427.526 4.489 5 20 IIBD Cc1ccc(NCCCNC(=O)c2cc(F)c(F)cc2Br)c([N+](=O)[O-])c1 440842877 LQKUHWRJNLMDSU-UHFFFAOYSA-N 428.233 4.176 5 20 IIBD CC(=O)c1ccc(OCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)c([N+](=O)[O-])c1 440869758 BKNTZKUMRTTXRL-INIZCTEOSA-N 439.449 4.209 5 20 IIBD Cc1cccc(Oc2cc(CNC(=O)C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)ccn2)c1C 441219662 YWNFEWXATFIGQY-UHFFFAOYSA-N 448.479 4.271 5 20 IIBD CCO[C@H](C)c1nc(CN2CCN(C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CC2)cs1 443963966 SXMDUAMHGJUSNY-MRXNPFEDSA-N 447.561 4.115 5 20 IIBD Cn1c(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)nc2cccc(Cl)c21 444334360 GUDLMLVRKFYECD-UHFFFAOYSA-N 434.858 4.291 5 20 IIBD O=C(CCc1nc2cc(Br)ccc2s1)N1CCc2ccc([N+](=O)[O-])cc2C1 446431361 MXTROBCLXJPMMF-UHFFFAOYSA-N 446.326 4.485 5 20 IIBD CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 446714894 OFBNMQFAWLHRPN-MRXNPFEDSA-N 428.489 4.081 5 20 IIBD Cc1cccn2cc(COc3ccc(CNCc4nc5ccc([N+](=O)[O-])cc5[nH]4)cc3)nc12 446841456 PVQMLJKHHBVQOX-UHFFFAOYSA-N 442.479 4.296 5 20 IIBD C[C@@H]1C[C@H](c2ccc(F)cc2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 447023560 NVNJBBZKEDOJDK-YPMHNXCESA-N 432.395 4.319 5 20 IIBD CN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 447035327 WYDKEGFTVXXKEX-UHFFFAOYSA-N 442.337 4.453 5 20 IIBD Cc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2cccc(S(C)(=O)=O)c2)c(C)c1 460562325 HPZLSBFZBIWTHU-JOCHJYFZSA-N 438.505 4.135 5 20 IIBD COc1cccc([C@H]2CCCN2c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCOC2)c1 461645649 IFTAJVZKWGLZHE-VGOFRKELSA-N 449.511 4.240 5 20 IIBD COc1cc(CSc2nc3ccccc3c(=O)n2Cc2ccco2)c([N+](=O)[O-])cc1F 463393038 OYXXDELHEPSRNZ-UHFFFAOYSA-N 441.440 4.386 5 20 IIBD CCO[C@@H](C)c1noc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)n1 464032068 CBLMXGUSASJBEI-AWEZNQCLSA-N 426.429 4.140 5 20 IIBD CN(CC[C@H]1CCCO1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 467033605 KTSUFNWBAQZZOH-JOCHJYFZSA-N 434.496 4.018 5 20 IIBD COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])c(C)cc1C 468536561 NJDHRVNDAVVLNZ-CYBMUJFWSA-N 428.894 4.080 5 20 IIBD CC[C@@H](C)[C@@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 469466842 OOJOQFRAWGLDMO-LRTDBIEQSA-N 443.887 4.419 5 20 IIBD CN(C)[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 469496408 UIOUERCFBWEAGG-KRWDZBQOSA-N 427.448 4.125 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O 475797156 GFRIVSYTUFXFCJ-HNNXBMFYSA-N 442.686 4.019 5 20 IIBD CSc1ccc(C(=O)NCc2noc(-c3cccc(Br)c3)n2)cc1[N+](=O)[O-] 477154357 SJOLNABGHYOFAI-UHFFFAOYSA-N 449.286 4.059 5 20 IIBD CCn1ncc2ccc(NC(=O)NCCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc21 477419516 RGXWWZSALLNMOQ-UHFFFAOYSA-N 436.394 4.217 5 20 IIBD C[C@H](c1cccc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1)N1CCOCC1 477476655 CEHLSOJHKCLVJF-OAHLLOKOSA-N 432.908 4.006 5 20 IIBD COc1cc(C(=O)Nc2cc(C)nn2[C@@H]2CCN(Cc3ccccc3)C2)cc([N+](=O)[O-])c1C 478326742 CBSLISRCQDFPEF-HXUWFJFHSA-N 449.511 4.116 5 20 IIBD CCC(=O)c1ccc(NCc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c([N+](=O)[O-])c1 479371726 OPRGJPCDEIRSML-HOTGVXAUSA-N 425.485 4.049 5 20 IIBD CCOC(=O)c1csc([C@@H]2CCCN2C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 479703150 UPHDIABKPNIGMR-CJNGLKHVSA-N 432.502 4.144 5 20 IIBD COC(=O)c1csc(-c2cccc(CNC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)c2)n1 481866966 OWBHFNFWRYLHRI-UHFFFAOYSA-N 445.884 4.017 5 20 IIBD O=C(Nc1cc2ccc(Br)cn2n1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 482186184 MOYBBQVAUPHPEW-UHFFFAOYSA-N 430.262 4.202 5 20 IIBD CN1CCC[C@@H]2CN(C(=O)c3ccc(NCc4ccccc4Cl)c([N+](=O)[O-])c3)CC[C@H]21 483567637 YNLWRDSGQUDOTM-WIYYLYMNSA-N 442.947 4.417 5 20 IIBD CCCCCn1nc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c2ccccc2c1=O 486092444 FARCOFASUDOTLD-UHFFFAOYSA-N 434.496 4.300 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccc(OCc2ccccn2)cc1 486331472 IYISCCSQYNOQOG-UHFFFAOYSA-N 440.887 4.264 5 20 IIBD O=C(Nc1cc(Cl)ccc1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccco1 486457527 PQCPOFQDFKOFAP-UHFFFAOYSA-N 440.843 4.095 5 20 IIBD CSc1cccc(C(=O)N2CCO[C@H](c3cccc(Br)c3)C2)c1[N+](=O)[O-] 486481297 IIXWOGLEUSGMBU-HNNXBMFYSA-N 437.315 4.293 5 20 IIBD Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c(C)c1 488094149 BOZPOKNLYWKORK-DNVCBOLYSA-N 445.566 4.232 5 20 IIBD CCOC(=O)CCc1ccc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 488535069 SLJANRBTHIKRCK-UHFFFAOYSA-N 439.390 4.431 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CCC[C@H]1c1cccc(F)c1 488910245 HRIRIMXJWZUFPN-AWEZNQCLSA-N 429.267 4.022 5 20 IIBD Cc1ccc(-n2cnc3c2CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C3)cc1 489412803 XGYMGNOKPGPIIR-HNNXBMFYSA-N 440.887 4.095 5 20 IIBD C[C@@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 489947237 RZCGVKKYKMWCOG-AUUYWEPGSA-N 437.418 4.328 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC(n2ccc(C(F)(F)F)n2)CC1 490337576 AKZNENYZCYRGBV-UHFFFAOYSA-N 449.336 4.281 5 20 IIBD CCOc1cc(CSc2nnc(N3CCCC3)n2Cc2ccco2)ccc1[N+](=O)[O-] 492237146 ARBNRPHZEZONJO-UHFFFAOYSA-N 429.502 4.119 5 20 IIBD Cc1ccccc1CN(Cc1ccccn1)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 495098658 FUJISVMPUQQLOM-UHFFFAOYSA-N 427.464 4.327 5 20 IIBD Cn1ccnc1[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1F 496394483 MOMNITHBBNEPAX-GOSISDBHSA-N 437.456 4.110 5 20 IIBD COc1cc(C(=O)NC[C@H]2CCCC(F)(F)C2)c([N+](=O)[O-])cc1OCc1cscn1 499538363 MZKZIXGESKWLBC-LBPRGKRZSA-N 441.456 4.194 5 20 IIBD CC[C@H](C)n1c(SC[C@@H](O)COc2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1 504792234 BCGVJPLSTIOWFX-YJBOKZPZSA-N 428.514 4.356 5 20 IIBD Cc1ccccc1NS(=O)(=O)c1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 505018580 LXUOZUYKSDUAOE-UHFFFAOYSA-N 436.449 4.421 5 20 IIBD CCCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1cccc(N2CCCC2)c1 505476746 NVYUWXKYABQTGB-OAQYLSRUSA-N 442.491 4.261 5 20 IIBD CCn1c([C@@H]2CCCN2C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)nc2ccccc21 506213517 YWXVIBTYFPUGPG-NRFANRHFSA-N 430.468 4.127 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CCC[C@@H](CN2CCOCC2)C1 506506557 WSHNBXUDWJIRJT-IBGZPJMESA-N 447.601 4.062 5 20 IIBD O=C(Nc1nc(CN2CCCCCC2)cs1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 509227111 MTGIJOVMZATJGJ-UHFFFAOYSA-N 429.546 4.280 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](c1cccc2ccccc12)C(F)(F)F 511811102 UBTJEVKXZCPTJM-DJJJIMSYSA-N 445.397 4.286 5 20 IIBD COc1ccc(S(=O)(=O)N[C@H](c2ccc(Cl)cc2)c2ccsc2)c([N+](=O)[O-])c1 512025571 PJUIZZKRFBBXSW-GOSISDBHSA-N 438.914 4.386 5 20 IIBD COc1ccc(-c2ccc(CNc3cc(CS(C)(=O)=O)ccc3OC)o2)c([N+](=O)[O-])c1 512855929 KGIZUIZZZYOQBJ-UHFFFAOYSA-N 446.481 4.029 5 20 IIBD CCN(C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)[C@@H](C)CO 513326686 VKONCPVDNRCICN-ZKMNFCBKSA-N 425.510 4.365 5 20 IIBD O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N1CCCc2c1cccc2[N+](=O)[O-] 513843700 FPPKDXMLZAXIGN-UHFFFAOYSA-N 430.873 4.370 5 20 IIBD CCOc1cc(NC(=O)N(C)C[C@H]2OCCc3ccccc32)c([N+](=O)[O-])cc1OCC 513953501 PJHUYDZHJIMRIV-OAQYLSRUSA-N 429.473 4.170 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCCN(CC3CCC3)CC2)cc1 514890516 JFNWQRSJKHESNB-UHFFFAOYSA-N 439.512 4.344 5 20 IIBD C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1Cl 515442065 DJSSIPFFMISMHQ-LBPRGKRZSA-N 445.859 4.244 5 20 IIBD Cc1ncsc1C(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 515485059 YJGOMNRYTCBCII-UHFFFAOYSA-N 428.539 4.046 5 20 IIBD CCn1c(SCC(=O)c2ccc(C(F)(F)F)cn2)nnc1-c1ccc([N+](=O)[O-])cc1 516637514 RQQNJIVQNJGBPG-UHFFFAOYSA-N 437.403 4.262 5 20 IIBD O=C(NCCOc1cccc(Cl)c1Cl)c1ccc([N+](=O)[O-])cc1Br 523509619 LXIFWHRYRSXRKU-UHFFFAOYSA-N 434.073 4.473 5 20 IIBD C[C@@H](Sc1nncn1C(C)(C)C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 524242847 JRCFOPCWBBUUMQ-LLVKDONJSA-N 432.531 4.184 5 20 IIBD O=C(NCCCC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 525105325 FBLHLCUNVWOVMS-HXUWFJFHSA-N 433.917 4.032 5 20 IIBD CC(C)CNC(=O)N1CCC[C@H](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 525432714 FGTBHBMOFQMHGJ-OAHLLOKOSA-N 445.545 4.125 5 20 IIBD CC1(C)[C@H](N[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)[C@H]2CCO[C@H]21 525459884 BBPMIZRDNGROCY-XWPNQZOQSA-N 429.904 4.331 5 20 IIBD COc1cc(C(=O)N[C@H](c2ccccc2)c2nc3ccccc3n2C)cc([N+](=O)[O-])c1OC 525536835 OVXRRBLVXUBCKI-OAQYLSRUSA-N 446.463 4.018 5 20 IIBD CC(C)c1nc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Br)ccc2o1 533326997 IJNNCEHIZSGPLC-UHFFFAOYSA-N 440.275 4.423 5 20 IIBD C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1NS(=O)(=O)c1cccs1 533626931 SKSSFOIEQDJVQH-ZDUSSCGKSA-N 446.510 4.340 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)c1cc(COc2c(Cl)cccc2Cl)on1 536237744 HBEQEYNGKQEURU-UHFFFAOYSA-N 436.251 4.441 5 20 IIBD COC(=O)c1sc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)nc1C1CC1 536288161 GMNGGAQUEMDQQY-UHFFFAOYSA-N 440.275 4.039 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(CNC(=O)c2cccs2)cc1 538696077 SWXXWCXUMXOFAX-UHFFFAOYSA-N 443.912 4.212 5 20 IIBD COc1ccc(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)cc1[N+](=O)[O-] 543855766 OXWFMYREEASBOP-UHFFFAOYSA-N 432.436 4.171 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)CSc1ccccc1[N+](=O)[O-] 544060854 ATGROISEVJQBEH-KPZWWZAWSA-N 439.331 4.342 5 20 IIBD CCN(C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 544850297 SOKHIXMUIDRYPY-QGZVFWFLSA-N 429.542 4.062 5 20 IIBD CCC(=O)Nc1cccc(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 548361360 FPISRVYCDJPCBU-UHFFFAOYSA-N 435.430 4.238 5 20 IIBD CC(C)(C)[C@@H](NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(F)cc1 550831129 QCLWCDFWJPAJTA-FQEVSTJZSA-N 427.476 4.129 5 20 IIBD Cc1ccc(CN2CC[C@@H](CN(C)C(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)C2)s1 552001944 IHTNJKKMBOSAPB-SJORKVTESA-N 433.599 4.426 5 20 IIBD CCS(=O)(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cc1 554272344 ZJPDLSYKGJSURT-UHFFFAOYSA-N 440.477 4.111 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)NC2CC2)cc1 555843071 YSPGHBKXUNGSSI-UHFFFAOYSA-N 433.262 4.202 5 20 IIBD CN(C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1O 557530958 OCCWWSDJOPEDGP-GDBMZVCRSA-N 429.523 4.341 5 20 IIBD Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 560859987 JCXHTYJTXBQCMW-GFCCVEGCSA-N 442.413 4.170 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1 563658927 WEINEEBUQQEPIQ-KRWDZBQOSA-N 426.517 4.179 5 20 IIBD CC(C)(C)OC(=O)c1ccc(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c(F)c1 564258638 DYOJZHUNWNXSDE-UHFFFAOYSA-N 431.420 4.116 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@@H]2CCc3sc(Cl)cc32)ccc1[N+](=O)[O-] 565512685 HKWWJPOGXJDPMT-ZBFHGGJFSA-N 433.917 4.026 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2sc3c(c2C(=O)c2ccncc2)CCC3)c1 565880766 YWDUJZDJSBNBOD-UHFFFAOYSA-N 437.477 4.422 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCn1cc(Br)cn1 569099523 ILFFDZVVFCGNKO-UHFFFAOYSA-N 441.351 4.074 5 20 IIBD CCOc1cc(C)ccc1CNCc1cc(I)cc([N+](=O)[O-])c1 570087988 KQGMROFVSCNBCT-UHFFFAOYSA-N 426.254 4.196 5 20 IIBD COc1ccc(C[C@@H]2CCCN(C(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)C2)cc1 571967073 KXHGPHAAJVSBOC-SFHVURJKSA-N 434.496 4.099 5 20 IIBD COC(=O)c1cc(C(C)(C)NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)no1 574679388 FZPKCFKZLQOKGQ-UHFFFAOYSA-N 429.404 4.326 5 20 IIBD O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 589056747 OTSQXXABRWAFAM-INIZCTEOSA-N 430.766 4.361 5 20 IIBD CC(C)(C(=O)Nc1ncc(-c2ccc(Br)cc2)s1)n1cc([N+](=O)[O-])cn1 589081188 JBCAPYFORWLJOT-UHFFFAOYSA-N 436.291 4.051 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2Cc3ccccc3-c3ccccc32)cc1OC 603817350 DGHOLUKWJKBFAQ-UHFFFAOYSA-N 434.448 4.456 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](CCc1ccccc1)c1ccccc1 604039781 NXYBDYWJULLJMT-HXUWFJFHSA-N 426.494 4.256 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N2CCCN(C(C)C)CC2)cc1[N+](=O)[O-] 609036070 PKHCJZMTCYNPCJ-UHFFFAOYSA-N 441.553 4.104 5 20 IIBD Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)C(=O)NCc1ccccc1[N+](=O)[O-] 609084442 HNFFFGYPEBHDDR-QGZVFWFLSA-N 433.464 4.298 5 20 IIBD CC(C)c1ccccc1OCCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 609508294 CODCYCBWTOQHDZ-UHFFFAOYSA-N 426.391 4.468 5 20 IIBD CCc1nc(CN2CCC(CNC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)CC2)cs1 609530608 MWIAEAKQNIKCLU-OAHLLOKOSA-N 448.614 4.123 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCc1nc(-c2cccc(Cl)c2)no1 609731947 QNLKZNTUXPARTE-UHFFFAOYSA-N 437.239 4.037 5 20 IIBD O=C(c1ccccc1)c1ccc(N2CCn3c(Cc4ccccc4)nnc3C2)c([N+](=O)[O-])c1 610281437 PQZABQDUDLXITB-UHFFFAOYSA-N 439.475 4.028 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccnc(Oc2ccccc2)c1 611200907 FQQTZVHMRKNWEO-UHFFFAOYSA-N 439.493 4.451 5 20 IIBD CCN(Cc1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1)C(C)C 726054606 ZLGHYWQSIMWRSL-UHFFFAOYSA-N 433.892 4.274 5 20 IIBD Cc1ccc(C(=O)N(C)c2ccc(OC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)cc2)cc1 727295905 CLUDCJNHGGKUJI-UHFFFAOYSA-N 448.431 4.170 5 20 IIBD COc1ccc(C2(C(=O)OCc3cc([N+](=O)[O-])ccc3OC(C)C)CCOCC2)cc1 729118735 JNFDITMCVIXYPQ-UHFFFAOYSA-N 429.469 4.182 5 20 IIBD CCc1nc([C@@H]2NC(=O)N(CC3CC3)C(C)=C2C(=O)Nc2cccc([N+](=O)[O-])c2)cs1 731430056 LIHAQZWTTJYIGB-IBGZPJMESA-N 441.513 4.003 5 20 IIBD O=C(/C=C\C1CCOCC1)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 732692222 LYLCPQULRVHJLZ-AVKJRPAMSA-N 444.871 4.454 5 20 IIBD Cc1ncc(/C=C/C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)s1 732756583 CFOXMAUHPFBYCT-IJDCCNJMSA-N 429.498 4.001 5 20 IIBD CC(=O)Nc1ccc(OC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c(F)c1 742835877 KNVXTFRNGWSDEU-ZDUSSCGKSA-N 438.415 4.480 5 20 IIBD O=C(CCC[S@@](=O)c1ccc(Br)cc1)OCc1c(F)cccc1[N+](=O)[O-] 745055623 ULAWDFNDOYRPQL-AREMUKBSSA-N 444.278 4.128 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 745347855 PQXVXYOYTPTIAV-LSDHHAIUSA-N 439.251 4.196 5 20 IIBD C[C@@H](C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Br)s1 745642166 ZWHNCUULQCVJLB-NXEZZACHSA-N 427.276 4.093 5 20 IIBD C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccc(-c2ccncc2)cc1 746408371 FCFKMSONGBNKQI-HNAYVOBHSA-N 448.454 4.026 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCCN(C(=O)OC(C)(C)C)c2ccccc21 746470651 IYDGWNZIUUUOJA-UHFFFAOYSA-N 440.500 4.494 5 20 IIBD CCc1ccc(-c2noc(COC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)n2)cc1 748953013 ZRZDTVULCPSBPP-UHFFFAOYSA-N 426.385 4.089 5 20 IIBD COc1cccc(C(OC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)c2cccc(OC)c2)c1 749068263 XOXULDZVNNPYKW-UHFFFAOYSA-N 437.448 4.496 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCC(OC[C@H]4CCCO4)CC3)c([N+](=O)[O-])c2)cc1 751238185 BAPAQJRYDXTCGB-OAQYLSRUSA-N 439.512 4.320 5 20 IIBD CCOc1ccccc1NC(=O)[C@@H](C)OC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 751634535 LDWPPKHIBPOVBI-GFCCVEGCSA-N 438.889 4.309 5 20 IIBD CC(C)Oc1cc(Br)cc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 751895709 RDYMYXVPRVVPBP-UHFFFAOYSA-N 433.255 4.084 5 20 IIBD Cc1nc(-c2cccc(NC(=O)COC(=O)c3cc(F)cc(C)c3[N+](=O)[O-])c2)cs1 752556712 CRHFWXWWXMMLDK-UHFFFAOYSA-N 429.429 4.270 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ncc1Br)c1ccc(Br)cc1F 752927263 JWJPPCDLBNKCNA-SSDOTTSWSA-N 447.058 4.145 5 20 IIBD C/C(=C/C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1OC(F)F 753535683 BKVVOGYBYVEBBP-BENRWUELSA-N 431.351 4.393 5 20 IIBD CC(C)C(=O)Nc1ccc(CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1 755025290 KRKIYJWIEPELQR-UHFFFAOYSA-N 435.278 4.274 5 20 IIBD CCc1c(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cnn1CCC(C)C 755596772 QUUUYWZRXKBSFB-ZDUSSCGKSA-N 436.896 4.237 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)OCc1ccnc(-c2ccc(Br)cc2)n1 755674074 PNBKATYDUYJQQY-UHFFFAOYSA-N 444.241 4.180 5 20 IIBD O=C(CN(Cc1ccccc1)C[C@H](O)c1cccs1)Nc1ccc([N+](=O)[O-])cc1Cl 756061016 ZDZUFKMXBLHECP-IBGZPJMESA-N 445.928 4.484 5 20 IIBD Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 756076258 LIUIRNOVJQTWFZ-QGZVFWFLSA-N 427.892 4.281 5 20 IIBD Cc1nn(-c2ccccc2)cc1CCCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl 756924673 KZIWKGWCVVKFIT-UHFFFAOYSA-N 427.892 4.174 5 20 IIBD CC[C@@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@H]1NC(=O)OC(C)(C)C 757871676 RYGFZSSUODQTAJ-IUODEOHRSA-N 426.901 4.405 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(-c3nc(CCNC(=O)OC(C)(C)C)no3)cc2[N+](=O)[O-])C1 761583951 XIMSRHYOOHQSOI-GJZGRUSLSA-N 445.520 4.194 5 20 IIBD C[C@H](C(=O)N(CCNC(=O)OC(C)(C)C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 762268147 CTHKNRMAGICJMG-KRWDZBQOSA-N 427.501 4.252 5 20 IIBD C[C@H](OC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCCCC2)cc1 763403597 NARBQDFYXRXABQ-IRXDYDNUSA-N 425.485 4.259 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1ccc(-c2ccccc2)cc1 763747472 SQDNQUJDTACCPN-UHFFFAOYSA-N 437.473 4.386 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cnccc2-c2ccccc2)cc1Br 766152724 AXDJOIDSTIUHCH-UHFFFAOYSA-N 435.255 4.187 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Oc1cnccc1-c1ccccc1 766155564 QJTPEKITNVMREP-UHFFFAOYSA-N 435.255 4.187 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Oc1cnccc1-c1ccccc1 766156554 VHRGCELXIQSTTP-UHFFFAOYSA-N 435.255 4.187 5 20 IIBD CNC(=O)c1cc(Oc2cccc(OC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)c2)ccn1 766700499 QFEXGZAQYFIBHL-UHFFFAOYSA-N 427.800 4.014 5 20 IIBD COc1cc(COC(=O)c2cnc(-c3ccccc3)nc2C)c([N+](=O)[O-])cc1OC(F)F 767624994 RXWCYXUVNSTJKE-UHFFFAOYSA-N 445.378 4.327 5 20 IIBD CC(C)N(Cc1cc(Br)ccc1F)S(=O)(=O)c1csc([N+](=O)[O-])c1 768834014 JLIIEYFKDLLUOJ-UHFFFAOYSA-N 437.312 4.157 5 20 IIBD COC(=O)CC(C)(C)C(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 769136383 REZRLMAUEQISJD-SFHVURJKSA-N 448.859 4.061 5 20 IIBD Cc1cc(C(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1N1CCNC1=O 769679060 GKSMNAMURLQHQK-UHFFFAOYSA-N 428.876 4.143 5 20 IIBD COc1cc(CNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)cc(Br)c1OC 770021279 VVVDPBLXSXDGOG-UHFFFAOYSA-N 444.669 4.350 5 20 IIBD O=C(O[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1ccc([N+](=O)[O-])c2cccnc12 770407634 NPYCNDLMOIYPMZ-KRWDZBQOSA-N 445.353 4.124 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 771765409 NOXLYKXLBLFLAS-RYUDHWBXSA-N 446.426 4.381 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2nnc(S)n2C2CC2)CC1 775537747 POJQQUSZIQYUCM-UHFFFAOYSA-N 447.586 4.330 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 775959035 LTJNJZREEQHKFY-LJQANCHMSA-N 447.264 4.114 5 20 IIBD CCN(CC)C(=O)c1ccc(C(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])cc1 776133461 LINQYCNUPJMBOJ-JOCHJYFZSA-N 433.464 4.418 5 20 IIBD COc1cccc([C@H]2[C@H](C(=O)OCc3ccc(Cl)c([N+](=O)[O-])c3)CC(=O)N2C2CC2)c1 776324116 IDFJXGKPBIXZFG-UTKZUKDTSA-N 444.871 4.052 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)cc1[N+](=O)[O-] 777603765 WGFIFHDZCLHIFH-UHFFFAOYSA-N 448.457 4.013 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1NC(=O)Cc1cccs1 777933558 QVWQCMASYSVQGH-UHFFFAOYSA-N 449.485 4.086 5 20 IIBD O=C(Nc1ccccc1)c1ccc(OS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 778661140 TVYAJTTXEFGFJC-UHFFFAOYSA-N 432.841 4.268 5 20 IIBD COc1cc(CN2CCC[C@H]2C[C@@H](O)c2cccs2)c([N+](=O)[O-])cc1OCC(F)F 779027931 DYPFTPLXEMKQJO-GOEBONIOSA-N 442.484 4.397 5 20 IIBD CC(C)(C)OC(=O)NCc1cc(C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)co1 781382862 SPHMJXOSTAWCEI-UHFFFAOYSA-N 443.412 4.225 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCCCC[C@@H]1C[C@H](O)c1ccccc1 782014350 WZBWQWBLFABDKC-KNQAVFIVSA-N 441.484 4.331 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cc(N2CCCC2=O)ccc1F 785896303 BVFWPIPCQUTLRK-UHFFFAOYSA-N 436.237 4.184 5 20 IIBD COc1ccc(CNC(=O)CCc2ccccc2NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] 790542839 RJGIYFFOFGKNGG-UHFFFAOYSA-N 429.473 4.199 5 20 IIBD CN1C(=O)C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H]1c1ccc(Cl)c(Cl)c1 792524029 DQUCGOPMPUPUCT-APPDUMDISA-N 426.231 4.199 5 20 IIBD O=c1oc2cccc([N+](=O)[O-])c2n1CN1CCSC[C@H]1c1cccc(C(F)(F)F)c1 794643674 SQIXMUNUQFFIET-HNNXBMFYSA-N 439.415 4.269 5 20 IIBD CC[C@@H]1CN([C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C[C@H](C)[S@]1=O 796368357 UXHMXTFCPAYYCQ-AWDGVMTRSA-N 449.960 4.159 5 20 IIBD O=[N+]([O-])c1cc2c(c(-c3nc(-c4ccnc(OCc5ccccc5)c4)no3)c1)OCCO2 809322758 RSYFGFCHKOTQOQ-UHFFFAOYSA-N 432.392 4.057 5 20 IIBD O=[N+]([O-])c1cc(F)c(S(=O)(=O)N(Cc2ccsc2)c2cccnc2)cc1Cl 809813441 GXHIFQKUGLNDON-UHFFFAOYSA-N 427.866 4.239 5 20 IIBD O=[N+]([O-])c1cc(OS(=O)(=O)c2cnc3onc(-c4ccccc4)c3c2)ccc1Cl 810079318 CEBRICKFYNKVNM-UHFFFAOYSA-N 431.813 4.219 5 20 IIBD CC(C)c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)nc1 811263938 VUCJVHALWJIVHX-LLVKDONJSA-N 425.363 4.316 5 20 IIBD C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(N2CCCNC2=O)cc1 812764352 UPYZDVIEUUEGIA-GFCCVEGCSA-N 436.390 4.024 5 20 IIBD COCCN1C(=O)CCc2cc(NC(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])ccc21 813198289 GXOVFQTVGLJZTA-UHFFFAOYSA-N 438.267 4.080 5 20 IIBD CCOc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)c3ccccc32)cc1[N+](=O)[O-] 813279727 CTGQFXDZZKYETO-UHFFFAOYSA-N 427.457 4.395 5 20 IIBD COc1cc(C(=O)N(C[C@@H]2C[C@H]3CC[C@H]2C3)OC)c([N+](=O)[O-])cc1OCc1cscn1 817034061 OOWULTXWMIILSN-KKUMJFAQSA-N 447.513 4.079 5 20 IIBD CC/C(=C\C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)c1cccc(Cl)c1 819208487 SHYAGXAHVZQBLC-FOCLMDBBSA-N 427.888 4.026 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N(C)Cc2c(C)noc2C)cc1[N+](=O)[O-] 915068371 CJEVJZBLMXKYPT-UHFFFAOYSA-N 439.493 4.425 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cncc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 915829484 RURGDJJQTVFUBL-UHFFFAOYSA-N 435.396 4.019 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 916702938 JVIDFQIXLIGORT-NDENLUEZSA-N 430.424 4.095 5 20 IIBD CCCC(=O)Nc1cccc(CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])c1 917076195 GQENDIAQPIDLRX-UHFFFAOYSA-N 445.419 4.239 5 20 IIBD CCC[C@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccccc1 917225237 QTQQDASOMOCUNJ-FQEVSTJZSA-N 425.485 4.009 5 20 IIBD CC(C)N(Cc1ccc(F)cc1)C(=O)c1cc([N+](=O)[O-])ccc1I 918564409 DIRGBTZADTUVPI-UHFFFAOYSA-N 442.228 4.389 5 20 IIBD CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 918646695 SBDWHGOEUUFXEZ-LBPRGKRZSA-N 440.258 4.052 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1 919868197 RSPUNCPKMMAQJC-RAXLEYEMSA-N 435.524 4.284 5 20 IIBD Cc1nc(-c2nnc(COc3ccccc3[N+](=O)[O-])o2)nn1-c1c(Cl)cccc1Cl 1261428599 UMEJMGNRZXGXES-UHFFFAOYSA-N 447.238 4.420 5 20 IIBD O=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 1317853857 OVYWQLRXGFEQCM-UHFFFAOYSA-N 438.415 4.010 5 20 IIBD C[C@@H]1CCc2nc(NC(=O)c3ccc(I)c([N+](=O)[O-])c3)sc2C1 1318337338 ZWMYVCJQCXAIAW-MRVPVSSYSA-N 443.266 4.033 5 20 IIBD CC[C@H](O)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3C)cc2)CCC1 1790773442 IBQQBKHTORSHCB-IBGZPJMESA-N 445.903 4.075 5 20 IIBD CC(C)[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1800526591 YPUXZRZCABZCHR-BOFTWBBESA-N 445.535 4.448 5 20 IIBD O=C([C@@H]1C[C@H]1C1CC1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830612896 LLZFVXJEETWOIQ-BDTNDASRSA-N 443.519 4.013 5 20 IIBD O=C(CC1CCC1)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1832904119 NCWVPQUAAPKJOC-LEQVUBRHSA-N 439.556 4.418 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)[C@@H]2Cc3ccccc3O2)c2ccccc2)c([N+](=O)[O-])c1 10615345 XZFXPRPRHNKVTC-VXKWHMMOSA-N 432.432 4.130 5 20 IIBD COc1cc(CSc2nnc(C)n2Cc2ccccc2)c([N+](=O)[O-])cc1OC(F)F 12724595 PMWACQHBYXJWLK-UHFFFAOYSA-N 436.440 4.445 5 20 IIBD O=C(Nc1ccc(OS(=O)(=O)c2cccc(Cl)c2)cc1)c1cccc([N+](=O)[O-])c1 14100284 NZWYTUSYWDMHAU-UHFFFAOYSA-N 432.841 4.268 5 20 IIBD CCCCN1C(=O)CC[C@@H](C(=O)OCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1OC 19178961 FFRQNQDLSXSKSW-OFNKIYASSA-N 440.496 4.427 5 20 IIBD CCOc1cc(CN(C)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1OC(F)F 33080345 HLZRJJSRUIVLGL-UHFFFAOYSA-N 449.454 4.467 5 20 IIBD CCn1c2ccccc2c2cc(NC(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)ccc21 57658979 ZLZYAEALWORGET-UHFFFAOYSA-N 430.420 4.269 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCCCN(C)CC(F)(F)F)cc2[N+](=O)[O-])n1 60649681 RWPWWCCTSQSPFD-UHFFFAOYSA-N 448.492 4.125 5 20 IIBD Cc1nn(-c2ccc(C(=O)NCCc3ccc([N+](=O)[O-])cc3)cc2)c(C)c1Br 65123944 OIAWQDFTWIBBIS-UHFFFAOYSA-N 443.301 4.132 5 20 IIBD C[C@@H](NS(=O)(=O)c1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1)c1ccccc1 98067575 OCANFTROCLXVSA-CQSZACIVSA-N 443.456 4.026 5 20 IIBD Cc1ccc(Cc2sc(NC(=O)[C@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)nc2C)cc1 110485420 ABHXFAFSEQUCLE-HNNXBMFYSA-N 438.509 4.016 5 20 IIBD CC[C@H](C(=O)N1CCC(Nc2c(Br)cncc2[N+](=O)[O-])CC1)c1ccccc1 302836262 WKFALOBIARZDIF-INIZCTEOSA-N 447.333 4.349 5 20 IIBD O=[N+]([O-])c1cnn(CCSc2nnc(Nc3ccc(OC(F)(F)F)cc3)s2)c1 303848295 CZBFWZLWWDJNQZ-UHFFFAOYSA-N 432.409 4.077 5 20 IIBD COc1cccc(OC)c1Oc1ccc(CNC(=O)Nc2cccc([N+](=O)[O-])c2C)cn1 409748079 ICPVRHYSVPOLFR-UHFFFAOYSA-N 438.440 4.429 5 20 IIBD O=C(Cc1cccs1)Nc1ccccc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 409988860 YDAAIAPBISBDGX-UHFFFAOYSA-N 447.476 4.276 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O 430410787 RSXOVFIZNJGZEF-UHFFFAOYSA-N 444.447 4.071 5 20 IIBD CCOC(=O)CN(C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)C1CCCC1 434047389 IXAPSJALBFATHR-INIZCTEOSA-N 440.500 4.111 5 20 IIBD O=C(N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 436451493 SJOBLQGLOCGCTQ-HNNXBMFYSA-N 443.744 4.001 5 20 IIBD O=C(Nc1ccc(CCC(=O)N2CCCC2)cc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437138741 RWXOASVBXXGMJV-UHFFFAOYSA-N 435.402 4.421 5 20 IIBD CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)Oc1ccc(C(C)=O)cc1[N+](=O)[O-] 440864411 DWYDANVTOQGMII-LBPRGKRZSA-N 434.470 4.004 5 20 IIBD COCc1nc(CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c(-c2ccccc2)s1 440991750 PIKGMOINNHEDGJ-CQSZACIVSA-N 426.498 4.425 5 20 IIBD O=C(NCc1nnc(-c2ccccc2)s1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444228686 RRFNZDGESCYFSF-UHFFFAOYSA-N 430.464 4.269 5 20 IIBD CCOC(=O)c1cc(C(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@H]2C)cc([N+](=O)[O-])c1 444399977 LYGPPBGDSYCCFS-BFUOFWGJSA-N 432.860 4.027 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N(CCc1ccc(OC)c(OC)c1)CC(C)C 444924087 QANWHHPUAQHYEI-UHFFFAOYSA-N 431.489 4.353 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cnc(Cc4ccc(F)cc4)s3)n2)c1 445570437 FYWRAIFEGTUTNC-UHFFFAOYSA-N 426.429 4.431 5 20 IIBD CSc1nnc(-c2noc(-c3ccc(N4C[C@H](C)C[C@@H](C)C4)c([N+](=O)[O-])c3)n2)s1 445609251 RVQYQTMBGUSOLJ-GHMZBOCLSA-N 432.531 4.368 5 20 IIBD COc1ccc(C2=NN(C(=O)CSc3ccc([N+](=O)[O-])cn3)[C@@H](c3ccco3)C2)cc1 448113666 ZUPFOGVLSCUNSK-GOSISDBHSA-N 438.465 4.061 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(F)c(OC(F)F)cc1-n1cncn1 448483118 GZTRUSZWULULEO-CYBMUJFWSA-N 449.389 4.123 5 20 IIBD COC(=O)c1cnc(N(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C2CC2)s1 460641648 YSHLGTITGTZPRQ-UHFFFAOYSA-N 438.465 4.391 5 20 IIBD CN(CCc1ccccc1)C(=O)c1cc(C(=O)N(C)CCc2ccccc2)cc([N+](=O)[O-])c1 460673588 CXAIXLMUMSCPST-UHFFFAOYSA-N 445.519 4.224 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 462430590 HVSOEDBOCRQNFM-CMKODMSKSA-N 425.529 4.411 5 20 IIBD COc1ccc2c(c1)CCC[C@@H]2CNC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] 463555210 PUPCBZHWUWFZOO-CYBMUJFWSA-N 436.411 4.063 5 20 IIBD O=C(Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1ccncc1 463635199 GSKHBMCFVFBYRH-UHFFFAOYSA-N 444.369 4.191 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ccc(-c2nc3cc(F)ccc3[nH]2)cc1 465135267 QCXUNIAFXCUEHE-UHFFFAOYSA-N 448.410 4.230 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 466150316 YYVCPMCKWUGSNG-UHFFFAOYSA-N 428.832 4.458 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C1(S(=O)(=O)c2cc(C)ccc2C)CCCC1 466498521 CTKAVFWTFOKFET-UHFFFAOYSA-N 446.525 4.336 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NC(C)(C)c2nc(C(F)(F)F)cs2)cc1OC 467003315 NANNUVYIISWVAS-UHFFFAOYSA-N 433.408 4.143 5 20 IIBD C[C@@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H](OC1CCOCC1)c1ccccc1 468125729 HDBWTTQGNHHNBD-QVKFZJNVSA-N 447.919 4.373 5 20 IIBD CC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1nnc2n1CCCCC2 475216697 PAGNLJGYYCDTJG-CYBMUJFWSA-N 426.399 4.204 5 20 IIBD CC(C)(C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1ccc([N+](=O)[O-])cc1 475801684 QXUDTUGNOYCWJG-MRXNPFEDSA-N 436.295 4.101 5 20 IIBD O=C1N[C@H](Cc2cccc3ccccc23)C(=O)N1Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 479200593 VFHJCYWTTAKNEK-LJQANCHMSA-N 443.381 4.430 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(CN3CCCC[C@@H]3C)cc2)cc1OC 479250299 RFOARJDGWVHPPE-KRWDZBQOSA-N 441.528 4.307 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(C(C)(C)C)c1O 480069952 NSTNYCSBGQOWOA-GOSISDBHSA-N 445.541 4.088 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)S(=O)(=O)Cc1nc(-c2cc(F)c(F)c(F)c2)no1 485243068 FQVATNKMSQCDAI-SNVBAGLBSA-N 441.387 4.047 5 20 IIBD Cc1cccc(CNC(=O)c2sc(Br)cc2[N+](=O)[O-])c1Br 485680032 DUWUYIDBMHRLMC-UHFFFAOYSA-N 434.109 4.420 5 20 IIBD O=C(c1ccc(F)cc1I)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 486041386 FNXMSEHOSFGFNU-UHFFFAOYSA-N 440.212 4.143 5 20 IIBD COc1cc(CNc2ccc3c(c2)N(C(N)=O)CC3)c([N+](=O)[O-])cc1OCc1ccccc1 487180298 HPNJNHAQDWZDSE-UHFFFAOYSA-N 448.479 4.236 5 20 IIBD CCC[C@]1(COC)CCCN1C(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] 487602121 UXIDQRBPAMDWJN-OAQYLSRUSA-N 449.529 4.060 5 20 IIBD C[C@H]1C[C@@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCN1Cc1ccccc1 487831718 CURKVNOIUWGRIL-JXFKEZNVSA-N 430.936 4.143 5 20 IIBD O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 488019790 BGSNVRJWLSGSPT-MRXNPFEDSA-N 433.867 4.234 5 20 IIBD C[C@@H](NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cc2ccccc2o1 488917555 KKCOUNWGHMLYGG-SNVBAGLBSA-N 425.260 4.143 5 20 IIBD CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 489146568 HIUGRHAWYCCLLX-QGZVFWFLSA-N 449.511 4.277 5 20 IIBD CN(Cc1ccc([S@](C)=O)cc1)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 490010690 TYXKEOAYYSFCTN-HKBQPEDESA-N 437.521 4.217 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NCc1sccc1Br 495170344 CQYZDJOGZJFVMM-UHFFFAOYSA-N 438.225 4.437 5 20 IIBD O=C(Nc1nc2ccccc2n1CCCn1ccnc1)c1ccc([N+](=O)[O-])c2cccnc12 498268666 PJZUXGVKYMEWKY-UHFFFAOYSA-N 441.451 4.032 5 20 IIBD Cc1nc(-c2ccc([C@H](C)NS(=O)(=O)CCc3ccccc3[N+](=O)[O-])cc2)cs1 500836570 XMZBTJSVMFSNOT-AWEZNQCLSA-N 431.539 4.250 5 20 IIBD CC(C)(COc1ccc(C(F)(F)F)cn1)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 502264973 DQOGIKKOYGTFLR-UHFFFAOYSA-N 446.813 4.048 5 20 IIBD O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCCC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)c1 502768985 CODOXBNFSDRVJB-SIKLNZKXSA-N 440.475 4.091 5 20 IIBD CN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(Br)cc1Cl 511756469 MSGNFWRJSZURQD-UHFFFAOYSA-N 435.665 4.473 5 20 IIBD CN(C)C(=O)C[C@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 512135448 KFXKDBZJWQHRLB-QFIPXVFZSA-N 446.507 4.156 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2OCC2CCC2)cc1[N+](=O)[O-] 513737577 FCCAMXTXJWIZPW-UHFFFAOYSA-N 438.889 4.083 5 20 IIBD Cc1ccc(NC(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1[N+](=O)[O-] 514823683 FPVOPADRVUNRQT-UHFFFAOYSA-N 437.283 4.200 5 20 IIBD CC(C)C(=O)N1CCCC[C@@H]1c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 515478947 YPAAAWUMQPXEAP-OAHLLOKOSA-N 437.294 4.041 5 20 IIBD O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N(Cc1ccccc1F)c1ccccc1F 517170038 GVOZCSBCBPBQAO-UHFFFAOYSA-N 435.390 4.301 5 20 IIBD COc1ccc(CSCC(=O)N2CCC[C@@H]2c2nc3ccccc3n2C)cc1[N+](=O)[O-] 518128093 RGUVJUOTNDDCKA-GOSISDBHSA-N 440.525 4.087 5 20 IIBD CN(c1ccccc1)c1ccc(CNC[C@H](O)COc2ccc(F)cc2)cc1[N+](=O)[O-] 518778156 BEEYJHSJPMSGIL-FQEVSTJZSA-N 425.460 4.031 5 20 IIBD O=C(N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1cc2c(cc1[N+](=O)[O-])OCO2 519985109 PKCIPUJZLMUVTH-HSZRJFAPSA-N 432.432 4.168 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N[C@@H]1CCN(c2ncccc2F)C1 531773743 GNEBMCCJDBRYSS-MRXNPFEDSA-N 437.431 4.322 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC=C(c2c[nH]c3cc(F)ccc23)CC1 532662389 BKKMRCJNISZMIX-UHFFFAOYSA-N 438.459 4.342 5 20 IIBD COc1ccccc1[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccn1 536350266 LOCQUAZEEPSUBH-IBGZPJMESA-N 442.269 4.280 5 20 IIBD CC(=O)N(c1ccc(C)cc1)c1nc(CNCCOc2ccc([N+](=O)[O-])cc2)cs1 537302568 BJJBJVWFBYPACB-UHFFFAOYSA-N 426.498 4.213 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCO[C@@H](C)C2)nc1 538534415 HBQFGOCOBVALLW-INIZCTEOSA-N 444.557 4.037 5 20 IIBD O=[N+]([O-])c1cc(CNc2cccnc2N2CCC(O)CC2)ccc1Oc1ccc(F)cc1 539105568 QTIHXRKHPDYLLE-UHFFFAOYSA-N 438.459 4.494 5 20 IIBD Cc1c(NC(=O)C(=O)NCCSCc2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-] 540365046 FBLWZTKSYZXSIE-UHFFFAOYSA-N 442.324 4.198 5 20 IIBD COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 541331560 QHDZBXLQXLQOCG-VWNXMTODSA-N 431.492 4.433 5 20 IIBD O=c1c(Cl)c(N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cnn1-c1ccc([N+](=O)[O-])cc1 542555565 UMSRYRGDXCFIIH-KXBFYZLASA-N 444.850 4.265 5 20 IIBD COc1ccccc1[C@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)N1CCCCC1 544522971 TWVJBOOXZJKDIZ-IERDGZPVSA-N 429.492 4.189 5 20 IIBD Cc1nnc([C@@H](C)NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)s1 546763418 MHRXLBVPYJNZPT-CQSZACIVSA-N 448.508 4.027 5 20 IIBD CCc1ccc(-c2nc(-c3cc(C(F)(F)F)ccc3-n3cncn3)no2)cc1[N+](=O)[O-] 547178992 SCJCTMJMOBMMMC-UHFFFAOYSA-N 430.346 4.474 5 20 IIBD COc1cc(C(=O)Nc2c(C)cccc2-c2nc(C(C)C)no2)cc([N+](=O)[O-])c1OC 564533044 OQJXEWKOZRNIJI-UHFFFAOYSA-N 426.429 4.346 5 20 IIBD CCCc1c(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cnn1-c1ccccc1C 570692781 VGQTUHCAWXWDJU-UHFFFAOYSA-N 435.484 4.468 5 20 IIBD CC1CCN(c2ccc(C(=O)N(C)CCCN(C)Cc3ccco3)cc2[N+](=O)[O-])CC1 573732235 PLHPOYQHBYRISM-UHFFFAOYSA-N 428.533 4.018 5 20 IIBD COc1ccc(NC(=O)CNC(C)(C)c2ccc(Br)c(C)c2)c([N+](=O)[O-])c1 578921736 HRQXIJUUQNFMRE-UHFFFAOYSA-N 436.306 4.138 5 20 IIBD Cc1ccc(-c2nc(CNC(=O)C(=O)Nc3ccc(C(C)(C)C)c([N+](=O)[O-])c3)co2)cc1 583396563 YJEHTEYCAIJRQL-UHFFFAOYSA-N 436.468 4.111 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1noc(-c2cccc(Br)c2)n1 589375037 NOBBEXRSMJOQDE-UHFFFAOYSA-N 446.261 4.291 5 20 IIBD CC1(C)C(=O)N[C@@H]1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC1 590526641 BCNBNDSKNNOPRI-LJQANCHMSA-N 431.558 4.006 5 20 IIBD Cc1cccc(CN(CC(C)C)C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1 603529865 GXQISVBIWSQFGP-UHFFFAOYSA-N 439.541 4.481 5 20 IIBD COc1ccc(C(=O)NCC(=O)Nc2ccc(N[C@@H](C)c3ccccc3)cc2)cc1[N+](=O)[O-] 604445901 SOBCFFNBZJTECI-INIZCTEOSA-N 448.479 4.145 5 20 IIBD COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2cccc([N+](=O)[O-])c2)c1 604470653 MJNZCGKADULEFD-UHFFFAOYSA-N 428.448 4.386 5 20 IIBD Cc1nnc(SCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)n1CCc1cccs1 609009024 DRSBIQUJWJFDNF-UHFFFAOYSA-N 428.499 4.141 5 20 IIBD Cn1cc(C(=O)N[C@H]2CCc3c(Br)cccc32)c(-c2ccc([N+](=O)[O-])cc2)n1 609022833 PHFVAMGTQUQTIQ-SFHVURJKSA-N 441.285 4.175 5 20 IIBD O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC(c2nc(-c3ccccc3)no2)CC1 609141816 MQSAREBSLUAQOI-UHFFFAOYSA-N 433.468 4.239 5 20 IIBD CCOC(=O)c1cc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)ccc1Cl 609166064 BZQKBWHBCZROMX-UHFFFAOYSA-N 428.832 4.078 5 20 IIBD CCOc1cc(C(=O)Nc2nc(Sc3ccccc3)ns2)c([N+](=O)[O-])cc1OC 609482551 JNZKYCRREMSDQU-UHFFFAOYSA-N 432.483 4.257 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1 609531531 SGHQAPKENPFWLV-CYBMUJFWSA-N 448.410 4.299 5 20 IIBD O=C(NCC1(c2ccc3c(c2)OCO3)CCCCC1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609548630 QSOLFTFTLYWPIJ-UHFFFAOYSA-N 449.463 4.209 5 20 IIBD CC(C)(C)C[C@H](NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 610145343 UCOJJVVIWMLABX-NRFANRHFSA-N 438.528 4.240 5 20 IIBD COc1cc(C(=O)Nc2nc3c(C(F)(F)F)cccc3s2)cc([N+](=O)[O-])c1OC 610168751 DTGHGTYIIRALHE-UHFFFAOYSA-N 427.360 4.493 5 20 IIBD COc1cc(C(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)cc([N+](=O)[O-])c1OC 610179705 FISBEYVLRLZGRL-UHFFFAOYSA-N 428.470 4.042 5 20 IIBD CCOC(=O)CC[C@@H]1CCCN(C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)C1 611042861 NEHBCOPHZWUSGQ-QRVBRYPASA-N 445.560 4.273 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](C)CSc2ccc(Cl)cc21 619507599 QUUDEXZRHRMBQD-NSHDSACASA-N 428.919 4.194 5 20 IIBD COc1ccc(C(=O)N[C@@H](C(=O)OCc2cccc([N+](=O)[O-])c2C)c2ccccc2)cc1 727195368 DZFYBFCXFDSBOP-JOCHJYFZSA-N 434.448 4.126 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCC(=O)Nc3ccc(F)c(F)c3)c([N+](=O)[O-])c2)cc1 727431304 NZOXOBFBOQXJHS-UHFFFAOYSA-N 440.406 4.484 5 20 IIBD O=C(CN1CCC[C@H]1c1ccccc1C(F)(F)F)Nc1cc2c(cc1[N+](=O)[O-])OCO2 728060332 MGZHNUQQPYURHL-HNNXBMFYSA-N 437.374 4.118 5 20 IIBD CCOCCOc1ccc(Cl)cc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 728180912 WXDRCSSLJRSXEA-UHFFFAOYSA-N 437.836 4.441 5 20 IIBD O=[N+]([O-])c1ccc(-c2cnn(CN(Cc3ccccc3[N+](=O)[O-])CC(F)(F)F)c2)cc1 728898475 XCBFVBMKGABAEF-UHFFFAOYSA-N 435.362 4.389 5 20 IIBD O=C(NCCc1ccc(Br)cc1F)c1ccc(Br)c([N+](=O)[O-])c1 730971833 CWNAETWKBXMTPM-UHFFFAOYSA-N 446.070 4.231 5 20 IIBD O=C(Nc1nnc(Cc2ccccc2F)s1)c1cc([N+](=O)[O-])ccc1N1CCCC1 731018241 PLBQTPGNGCDLQW-UHFFFAOYSA-N 427.461 4.029 5 20 IIBD COc1ccc([N+](=O)[O-])cc1OC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 732643197 VHOUAXYALMMTIE-KRWDZBQOSA-N 434.448 4.214 5 20 IIBD CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] 733107739 XIMZEJNMQGUMCT-UHFFFAOYSA-N 429.826 4.471 5 20 IIBD COc1c([N+](=O)[O-])cc(NC[C@H](C)Oc2ccccc2)c([N+](=O)[O-])c1Br 733792685 SIALVVOKCSGXJE-JTQLQIEISA-N 426.223 4.154 5 20 IIBD O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1nn(-c2ccccc2F)c2c1CCC2 735445655 QFTSAWOKBOLVGF-UHFFFAOYSA-N 448.410 4.420 5 20 IIBD COc1ccccc1/C=C(/C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 735822173 SFVKLNQMCUGSRF-INKLHFNDSA-N 444.491 4.252 5 20 IIBD Cc1nn(C)c2nc(C3CC3)cc(C(=O)OCc3ccc([N+](=O)[O-])cc3Br)c12 739579934 JIRNEZMACQGVAJ-UHFFFAOYSA-N 445.273 4.182 5 20 IIBD COc1ccccc1-c1ccc([C@H](C)NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 742313957 RQFBKXLYPDFVCD-AWEZNQCLSA-N 430.457 4.449 5 20 IIBD O=C(Nc1ccc(CN2C(=O)CSC2=O)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 742603343 INJGXELENPVTKM-UHFFFAOYSA-N 439.371 4.061 5 20 IIBD CCCOC(=O)c1cc(Br)ccc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 747135524 KKOOUDVSLONZEP-UHFFFAOYSA-N 437.246 4.185 5 20 IIBD COc1c(C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)sc(C)c1Br 751666756 LNMNZDHIAPRCSM-UHFFFAOYSA-N 427.232 4.234 5 20 IIBD O=C(OCc1csc(-c2ccccn2)n1)c1cc([N+](=O)[O-])c(Br)cc1F 751692080 ZSBXBFKUJMCFHC-UHFFFAOYSA-N 438.234 4.372 5 20 IIBD Cc1cc(NC(=O)[C@@H](C)OC(=O)c2c(F)ccc([N+](=O)[O-])c2F)ccc1Br 752568863 UINDQDXKDLMGDO-SECBINFHSA-N 443.200 4.128 5 20 IIBD COc1cc(N)c([N+](=O)[O-])cc1C(=O)OCc1csc(COc2ccc(Cl)cc2)n1 753447290 GJCPWNSBKCUNSQ-UHFFFAOYSA-N 449.872 4.232 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc2c1CCN2C(=O)OC(C)(C)C 753983106 GCOKIKWGUFLDOS-UHFFFAOYSA-N 433.486 4.002 5 20 IIBD O=C(Cn1c(SC(F)F)nc2ccccc21)NCc1cc([N+](=O)[O-])ccc1Cl 756991003 ZNTRFXHRTCTNNN-UHFFFAOYSA-N 426.832 4.229 5 20 IIBD COc1ccc(COC(=O)c2cccc([N+](=O)[O-])c2Br)c(OC(F)F)c1 758366424 VKWZTFJTVKZSPN-UHFFFAOYSA-N 432.173 4.324 5 20 IIBD Cc1nc2ccc(NS(=O)(=O)c3ccc(Br)c([N+](=O)[O-])c3)cc2s1 760334001 CUTMYLSVWMBVAF-UHFFFAOYSA-N 428.289 4.076 5 20 IIBD Cc1nnc(-c2cccc(C(=O)OCCOc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)c2)o1 761103431 KHNQCRSCIRFOPU-UHFFFAOYSA-N 437.330 4.208 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@@H](c2nc(CCc3ccccc3Br)no2)C1 762181773 AKQJCEWGLIDVBB-QGZVFWFLSA-N 443.257 4.391 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3c(Cl)nc4ccccn34)n2)c(Br)c1 762263810 ZWRSSYMURKOLIL-UHFFFAOYSA-N 434.637 4.299 5 20 IIBD O=C(NC[C@@H](O)c1cccc(OCc2ccccc2)c1)c1c[nH]c2cccc([N+](=O)[O-])c12 763010252 LXFHZZIZSRHDBA-JOCHJYFZSA-N 431.448 4.119 5 20 IIBD COc1ccccc1N1C(=O)/C(=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)c2ccccc2C1=O 767920386 DEGLUNZWSYSOSF-GZTJUZNOSA-N 446.415 4.045 5 20 IIBD C[C@H](OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)cs1 767980851 OKFGLDGPBFWTCI-AWEZNQCLSA-N 425.466 4.143 5 20 IIBD O=C1CC[C@@]2(C(=O)OCc3ccc(Br)c([N+](=O)[O-])c3)Sc3ccccc3N12 773380271 BSSICAPKEUWZDR-SFHVURJKSA-N 449.282 4.030 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)NCc2cccc(C(C)C)c2)cc1[N+](=O)[O-] 773611918 CZBRUMCRMMDXEY-UHFFFAOYSA-N 434.290 4.044 5 20 IIBD CN(C)C1CCN(c2ccc(NCc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)cc2)CC1 774822978 DEWKVOCWLOAUBT-UHFFFAOYSA-N 434.544 4.138 5 20 IIBD COc1cc(Cl)ccc1NC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 776075228 SGAQGTQCDOBSHP-MRXNPFEDSA-N 435.864 4.461 5 20 IIBD Cc1cc(C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)nn1-c1ccccc1Cl 776437061 ZMUJMWDIZANSCJ-UHFFFAOYSA-N 439.815 4.149 5 20 IIBD CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c1 777994948 ITHSUXOBRGYWRM-UHFFFAOYSA-N 426.441 4.039 5 20 IIBD COc1cc(CN2CCC[C@@H]2C[C@H](O)c2cccs2)c([N+](=O)[O-])cc1OCC(F)F 779027935 DYPFTPLXEMKQJO-ZBFHGGJFSA-N 442.484 4.397 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCC(C(N)=O)CC2)cc1 779886726 CYIUNWYQAXHQHW-UHFFFAOYSA-N 442.541 4.051 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)O[C@@H](C)c2nc(C3CC3)cs2)ccc1[N+](=O)[O-] 781187873 DGWRNNMVTCUWHP-UGSOOPFHSA-N 429.498 4.146 5 20 IIBD Cc1nnc(N(CCC(C)C)C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c2ccccc12 781805475 DIFLIYMXZPQVQH-JOCHJYFZSA-N 447.495 4.419 5 20 IIBD O=C(NC1CCC(c2ccc(F)cc2)CC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 781907851 JDMQJQSMXQEZOJ-UHFFFAOYSA-N 427.476 4.027 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCSc2nc(-c3ccco3)nc3ccccc23)cc1 783896136 ODVFSJGZQFSUNK-UHFFFAOYSA-N 441.490 4.364 5 20 IIBD CCOc1cccc(N2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)c1[N+](=O)[O-] 784402998 QDLUVICCPLZVKI-UHFFFAOYSA-N 426.391 4.380 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N[C@@H](C)c2ccccc2Cl)cc1[N+](=O)[O-] 784613533 UNRIPKIFVRTZKE-JTQLQIEISA-N 440.681 4.135 5 20 IIBD COc1c([N+](=O)[O-])cc(N[C@H]2CCOc3c(F)cccc32)c([N+](=O)[O-])c1Br 785845524 PSTODGRXZDXKHW-JTQLQIEISA-N 442.197 4.349 5 20 IIBD O=[N+]([O-])c1ccc(NC(=S)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cc1 789349937 SMWCIIIWIMWYFY-UHFFFAOYSA-N 437.275 4.021 5 20 IIBD O=C(COc1ccc(Br)cc1Cl)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 791613316 RXNXRGQHMXJJIY-UHFFFAOYSA-N 445.609 4.041 5 20 IIBD CCc1cccc(C)c1NC(=O)COC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 792476687 YBIJONLAWXHMHX-UHFFFAOYSA-N 435.274 4.332 5 20 IIBD Cc1cnc(C2CCN(C(=O)C(=O)Nc3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC2)s1 793062494 SHZQJZJLVLTDRC-UHFFFAOYSA-N 430.530 4.002 5 20 IIBD CC[C@@H](OC(=O)c1ccc(I)c([N+](=O)[O-])c1)c1ccc(F)cn1 808949528 YYKIJMGZXMRVBA-CQSZACIVSA-N 430.173 4.042 5 20 IIBD Cc1ccccc1CN(Cc1cccnc1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F 809811036 WKNHOILUMOFORL-UHFFFAOYSA-N 449.891 4.482 5 20 IIBD O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)Nc1cccc([N+](=O)[O-])c1Cl 809915927 UQASPMZYUSKJDX-KRWDZBQOSA-N 439.299 4.097 5 20 IIBD O=C(OCC(=O)N1CCc2[nH]c3ccccc3c2C1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811373786 NSCUFCZWAZFBIB-UHFFFAOYSA-N 448.262 4.125 5 20 IIBD COc1ccc([C@H](Cc2ccccc2)NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1 812308200 HLBICOMALQDVTM-QFIPXVFZSA-N 430.464 4.053 5 20 IIBD O=C(Nc1ccccc1)NC1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 813420353 VVSGPVMVJULNDF-UHFFFAOYSA-N 437.283 4.328 5 20 IIBD CC(=O)N(c1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1)[C@@H]1C[C@H]1C 819098404 GSFRIMRZNCBLJR-ADLMAVQZSA-N 426.429 4.133 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)n1-c1nccs1 914612839 BKJSPDZXWQYTCX-LBPRGKRZSA-N 448.888 4.296 5 20 IIBD Cc1ccccc1-n1ncc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1C 914944505 IXJBMOJRDKDHGG-CQSZACIVSA-N 442.859 4.235 5 20 IIBD O=C(CC[C@H]1CCCO1)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 914971311 SJUSBYYOHNBJEE-UZLBHIALSA-N 432.860 4.430 5 20 IIBD Cc1ccc(-n2ncc(C(=O)OCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c2C(C)C)cc1 914976715 UMKZLAIZCVECIE-UHFFFAOYSA-N 440.431 4.147 5 20 IIBD CC1CCN(c2ccc(C(=O)OCc3nc(-c4cccs4)no3)cc2[N+](=O)[O-])CC1 916456644 KMWXMTJVCTXCAF-UHFFFAOYSA-N 428.470 4.300 5 20 IIBD CC(C)Oc1ccc([C@H](C)NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])cc1 917904858 LMOAXIJNWDYWGI-LBPRGKRZSA-N 443.319 4.184 5 20 IIBD O=C(COC(=O)c1cc(-c2ccccc2)no1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 919188888 UMWXCENQVZEBDW-UHFFFAOYSA-N 435.314 4.064 5 20 IIBD CCCN1CCN(c2ccc(NC(=O)N(C)Cc3ccccc3[N+](=O)[O-])cc2Cl)CC1 919912638 QVFWBIWANBUJMQ-UHFFFAOYSA-N 445.951 4.444 5 20 IIBD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2c(C(C)C)noc2n1 920896023 ILUXWJKKQNFTFQ-LLVKDONJSA-N 446.847 4.400 5 20 IIBD O=C(NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)N1Cc2ccc([N+](=O)[O-])cc2C1 1116164342 KZLJYCXABWGFAE-UHFFFAOYSA-N 431.374 4.025 5 20 IIBD COc1cc(COC(=O)c2cnn(C3CCCC3)c2C)c([N+](=O)[O-])cc1OCC(F)F 1319936273 JPFRBHTUZWYVNQ-UHFFFAOYSA-N 439.415 4.224 5 20 IIBD O=C(NCc1cccc(C(F)F)c1)c1cc(I)cc([N+](=O)[O-])c1 1320507966 RDEVYGXJWVFDOD-UHFFFAOYSA-N 432.164 4.067 5 20 IIBD C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1320541462 VDJONFNFACSWRR-KRWDZBQOSA-N 446.548 4.035 5 20 IIBD Cc1[nH]ccc1C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3F)CCC2)cc1 1788806020 KGXZTZLKAVSBGZ-UHFFFAOYSA-N 436.443 4.432 5 20 IIBD CC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccccc2[N+](=O)[O-])CCCCC1 1804344562 GVXGQJKUOKQHKP-JLYJBUFASA-N 425.529 4.217 5 20 IIBD O=C(CSC1CCCC1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823611121 YGISFSYOXCXFEI-SFHVURJKSA-N 449.573 4.097 5 20 IIBD CC(C)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1826346100 WSOUHOWYCYJROS-ZJVMWOEPSA-N 427.545 4.274 5 20 IIBD CC(C)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830616180 UUZWGVGVFXQJQE-OAQYLSRUSA-N 433.524 4.403 5 20 IIBD C[C@@H]1CCC[C@@H]1C(=O)N1CCCC12CN(C(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 1843968658 GNTRHZHNZCPNPC-PBHICJAKSA-N 427.526 4.063 5 20 IIBD C[C@H](Sc1nncn1CCc1cccs1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 11106307 REFNIWAMHYZNMJ-NSHDSACASA-N 437.934 4.263 5 20 IIBD NC(=O)c1ccc(COC(=O)/C=C/c2ccc(-c3ccc(F)cc3)s2)c([N+](=O)[O-])c1 11374318 NHGKTDCXUUNEGK-CSKARUKUSA-N 426.425 4.318 5 20 IIBD Cc1cccc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1[N+](=O)[O-] 15967997 OWHOSXYXXCTPMT-UHFFFAOYSA-N 429.782 4.286 5 20 IIBD Cc1c(Cl)cccc1NC(=O)[C@@H](C)OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 17044992 CDZNGOBLSRRMLJ-OAHLLOKOSA-N 445.903 4.343 5 20 IIBD CCOc1cc2c(cc1NC(=O)C1CCN(c3ccccc3[N+](=O)[O-])CC1)O[C@@H](C)C2 18238528 FQFPUDFMYOWICM-HNNXBMFYSA-N 425.485 4.172 5 20 IIBD C[C@@H](Sc1nc(-c2ccc(Br)cc2)n[nH]1)C(=O)Nc1cccc([N+](=O)[O-])c1 21157797 KKQZCOSNYKQGHY-SNVBAGLBSA-N 448.302 4.262 5 20 IIBD C[C@@H](OC(=O)c1cc(Cl)ccc1O)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 21347327 ZJYWBISMIJIVAI-MRVPVSSYSA-N 432.738 4.157 5 20 IIBD CSc1ccc(C(=O)O[C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-] 22162223 LOKZCDVIGFIDLT-QWHCGFSZSA-N 428.466 4.486 5 20 IIBD CCOc1ccc(C(=O)OCC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 27935321 XQHKCYHVYRIREW-UHFFFAOYSA-N 441.267 4.116 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccccc2OCCc2ccccc2)c([N+](=O)[O-])c1 32631586 PNORSWUAHQJWHS-UHFFFAOYSA-N 428.466 4.026 5 20 IIBD COC(=O)Cc1sc(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])nc1-c1ccccc1 65429963 PMLZORGXKGRIKE-UHFFFAOYSA-N 443.506 4.408 5 20 IIBD CCNC(=O)c1ccc(C)c(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 107889224 NNAIHDDWVQOEGD-UHFFFAOYSA-N 438.406 4.112 5 20 IIBD O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 108251309 MCKWGKWDOOVIFK-UHFFFAOYSA-N 446.463 4.063 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1cc(Br)cs1)c1ccccc1[N+](=O)[O-] 195714648 KEVNNUAVGBVEAW-ZDUSSCGKSA-N 441.303 4.232 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCc1csc(-c2ccco2)n1 301655419 HOWWENNABCQPRG-UHFFFAOYSA-N 448.526 4.098 5 20 IIBD COc1ccccc1C[C@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)O 426631843 ZPBWAXYISOASOU-QGZVFWFLSA-N 426.494 4.365 5 20 IIBD COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2OC)cc1OCc1cn2ccccc2n1 427279370 HFPBMGKVOKZCRJ-UHFFFAOYSA-N 448.435 4.091 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(S(=O)(=O)c3ccc(Cl)cc3Cl)CC2)cc1 429846048 DIVGEDBQRRYEIA-UHFFFAOYSA-N 431.297 4.134 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)C(=O)N(Cc2ccccc2)c2ccccc21 430826009 UCAUUNKXJDIELY-KRWDZBQOSA-N 445.475 4.433 5 20 IIBD CC(C)N(CC(=O)O)C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 431440397 HXBCUMSQROCSHP-LFIBNONCSA-N 439.493 4.457 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCN(Cc2ccc(Cl)s2)CC1 435833267 DQLFJGNQTKRQFN-UHFFFAOYSA-N 437.952 4.354 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCO[C@H](c2ccc(Br)cc2)C1 436320384 TUUKGAIRBFITHX-AWEZNQCLSA-N 432.196 4.349 5 20 IIBD CN(C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1nc2ccc(Cl)cc2s1 436460526 OMVYUUXZQIZKJG-UHFFFAOYSA-N 446.872 4.209 5 20 IIBD COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1cc([N+](=O)[O-])ccc1O)CC2 436674280 PCSMVLKARBGZCR-HSZRJFAPSA-N 434.448 4.106 5 20 IIBD O=C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437048043 BOUYIDZTSKJTFL-UHFFFAOYSA-N 441.793 4.397 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1cccc(OC)c1)C[C@@H]1CCCO1 439913757 MQUIPVANASTIES-IBGZPJMESA-N 429.473 4.215 5 20 IIBD COc1ccc(NC(=O)C(=O)Nc2cccc(OCc3cccc(C)c3)c2)cc1[N+](=O)[O-] 440246090 RCOGEVRRUSPLSA-UHFFFAOYSA-N 435.436 4.068 5 20 IIBD CCO[C@H](C)c1noc(CN(C)C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])n1 441064553 PTTXETPSJFPOIJ-CQSZACIVSA-N 442.497 4.499 5 20 IIBD COc1ccc(NC(=O)C(=O)N2CCCCC[C@H]2/C=C\c2cccs2)cc1[N+](=O)[O-] 442468089 CHVISMRPQILDSB-YDZSZYSISA-N 429.498 4.088 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CC[C@H](OCCN3CCCC3)C2)cc1[N+](=O)[O-] 443869665 QFFOWGXIDGPCMG-IBGZPJMESA-N 435.590 4.060 5 20 IIBD CCN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1S(=O)(=O)CC 443980857 RDTQFVOASGBCFE-UHFFFAOYSA-N 430.404 4.074 5 20 IIBD C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444318590 QCQWGPOASQFBQR-CMJOXMDJSA-N 447.485 4.210 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444994575 KGTCURYPKUTKBS-ZDUSSCGKSA-N 436.497 4.463 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)Cc1noc(C(C)(C)c2ccc([N+](=O)[O-])cc2)n1 445325359 YRDOTEYYJDRPNT-UHFFFAOYSA-N 444.875 4.455 5 20 IIBD O=C(Nc1cc(Cl)ccc1N1CCSCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 446908429 MSUXTVFHTKXVPK-UHFFFAOYSA-N 432.933 4.392 5 20 IIBD CCN(C(=O)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1Cl)C(C)C 447261609 ZVSXWQIGYRWDIO-UHFFFAOYSA-N 439.921 4.228 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCCN(Cc2ccc(F)cc2)CC1 447674592 FDNIDCFYOKKBIZ-UHFFFAOYSA-N 448.367 4.495 5 20 IIBD O=C(Nc1cccc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)c1)c1cccnc1 460360756 SEEDFNLTRYRLFF-JOCHJYFZSA-N 434.477 4.130 5 20 IIBD COc1cccc(-c2nnc(N(C)CCc3ccccc3[N+](=O)[O-])n2CC(C)C)c1OC 460600972 SCDRNFMRTCMORO-UHFFFAOYSA-N 439.516 4.205 5 20 IIBD CCOCCCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCc2ccc(Cl)cc2C1 460725278 PPOYMLLYKVJEBN-UHFFFAOYSA-N 441.919 4.496 5 20 IIBD Cc1cccc(-c2nnc(N(Cc3cccc([N+](=O)[O-])c3)C3CC3)n2C[C@@H]2CCCCO2)n1 461819592 SUXJKKSJIPXSPL-NRFANRHFSA-N 448.527 4.295 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCSC[C@H]1c1ccccc1 462138635 DPCFKASDRUIHIY-HNNXBMFYSA-N 433.338 4.380 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N(CCc1ccc(F)cc1)C1CC1 462361592 SXZVHJCWUJTMLI-UHFFFAOYSA-N 433.288 4.437 5 20 IIBD COc1cc(CSc2nc3ccccc3c(=O)n2-c2cccnc2)c([N+](=O)[O-])cc1F 463425941 LSIQBXQLPTYJPD-UHFFFAOYSA-N 438.440 4.129 5 20 IIBD Cc1nn(C)c2cc(NC(=O)NCCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc12 463827706 YFZHIUUPOCEIQG-UHFFFAOYSA-N 436.394 4.042 5 20 IIBD CN(C)CCn1ccc2ccc(NC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])cc21 465135390 MWGSICHLNRDRQV-UHFFFAOYSA-N 430.892 4.172 5 20 IIBD CO[C@@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C(C)(C)C 465205992 SWNXWIJEQRYVSW-KRWDZBQOSA-N 431.455 4.007 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1cccc(COCC(F)(F)C(F)F)c1 468707511 SMLJKKJWIQDFOI-UHFFFAOYSA-N 436.383 4.159 5 20 IIBD CN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@@H]1CCCN(Cc2ccccc2)C1 470672298 LNTWEFDLKCEMJU-JOCHJYFZSA-N 439.559 4.278 5 20 IIBD COc1cc(C(=O)Nc2cc(Cl)ccc2-c2nc(C3CC3)no2)cc([N+](=O)[O-])c1OC 471483721 LUJSAJCLXYDRND-UHFFFAOYSA-N 444.831 4.445 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 473692771 UMLKQYOMEPGZFO-UHFFFAOYSA-N 438.415 4.317 5 20 IIBD COc1cc(CNc2ccc(F)cc2-c2nnc(C)o2)c([N+](=O)[O-])cc1OCC(F)F 475353093 PVBMBNADBGWIEG-UHFFFAOYSA-N 438.362 4.357 5 20 IIBD CCc1nc2c(s1)[C@@H](N(C)C(=O)C1CCN(c3ccccc3[N+](=O)[O-])CC1)CCC2 478295074 YPSCANLOFXICSN-IBGZPJMESA-N 428.558 4.366 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)NCc2nc(C)c(-c3ccc(Cl)cc3)o2)c1[N+](=O)[O-] 480734430 HZDMCLWCXUEHAO-UHFFFAOYSA-N 435.889 4.307 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)c1 481848476 SQUHRZIGIXTAOF-UHFFFAOYSA-N 442.881 4.323 5 20 IIBD COC(=O)C[C@H](NC(=O)c1cccc(SC)c1[N+](=O)[O-])c1ccc(Cl)c(F)c1 486437389 VDCTWNZMCNPWSE-AWEZNQCLSA-N 426.853 4.143 5 20 IIBD Cc1c(NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCCCO2)cccc1[N+](=O)[O-] 488231492 LOFICDJGGMGCNW-HNNXBMFYSA-N 440.905 4.305 5 20 IIBD CCCN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@H](C)C(=O)Nc1ccccc1C 490015309 SGMRPYBJBPZNCN-CQSZACIVSA-N 435.427 4.384 5 20 IIBD C[C@H]1CSCCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 490151774 KCIWGCJDEJMFNH-CYBMUJFWSA-N 433.917 4.326 5 20 IIBD Cc1cc(S(=O)(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)O[C@H](C)C2)ccc1[N+](=O)[O-] 490455272 LEPXEKIIKPXPLO-FZKQIMNGSA-N 444.431 4.073 5 20 IIBD CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 497983206 OOIQGAOGIYCLQX-UHFFFAOYSA-N 446.504 4.158 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccccc2O[C@H](C)C(F)(F)F)cc1[N+](=O)[O-] 498966167 HVONOTDZDGWLKJ-CHWSQXEVSA-N 439.390 4.049 5 20 IIBD COc1ccc(N(Cc2cccs2)S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cc1 500808842 CKKQEQDSVYEXDC-UHFFFAOYSA-N 432.523 4.244 5 20 IIBD CCNC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)cc1 501118528 QSORXDCNUFBQBJ-UHFFFAOYSA-N 435.436 4.398 5 20 IIBD COc1cc(C(=O)N2CCC[C@@H]2C[C@@H](C)O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 504747038 XPFALHSRVVTLPT-CZUORRHYSA-N 434.876 4.425 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 504865705 REJJOQOKBHAXIB-FQEVSTJZSA-N 431.920 4.139 5 20 IIBD CCSc1ccc([C@H](C)Nc2ccc(C(=O)N[C@@H](C)C(=O)OC)cc2[N+](=O)[O-])cc1 505604042 DBMRZZCPLRAMMI-KBPBESRZSA-N 431.514 4.171 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(N[C@H](C)c3nc(C(C)C)no3)cc2)cc1[N+](=O)[O-] 506274312 YQFLOAJLDHOEHD-CQSZACIVSA-N 445.501 4.384 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2cccc(Cn3cncn3)c2)cc1[N+](=O)[O-])c1ccccn1 507424537 OTJCZQZPDMHZBT-INIZCTEOSA-N 443.467 4.055 5 20 IIBD COCCSc1ccc([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 507469768 RPGSSNKZAZSRJB-GFCCVEGCSA-N 430.935 4.026 5 20 IIBD CC(C)(C(=O)NCc1cnn(-c2ccc(Br)cc2)c1)c1ccccc1[N+](=O)[O-] 508281813 ZBKQSJMDWJDOQX-UHFFFAOYSA-N 443.301 4.137 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2ccnn2Cc2ccccc2F)cc1[N+](=O)[O-] 510565105 OBJKISFGUVAROG-UHFFFAOYSA-N 433.237 4.302 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 511720206 KSAFWMVBUMPRLD-MRXNPFEDSA-N 434.317 4.385 5 20 IIBD COC(=O)Cc1csc(N(C)C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)n1 513273988 NYUFASDCCLUAEP-UHFFFAOYSA-N 443.506 4.195 5 20 IIBD COc1cc(CCNC(=O)Nc2cccc(-c3nccs3)c2)c([N+](=O)[O-])cc1OC 515800924 REEIJMSHESMZMO-UHFFFAOYSA-N 428.470 4.100 5 20 IIBD O=C(Nc1ncc(-c2ccccc2)s1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 518902148 RBDBVLAIRZFBPL-ZDUSSCGKSA-N 428.495 4.023 5 20 IIBD COc1cc(CNc2ccc3c(c2)N(C(=O)Cc2ccccc2)CC3)c([N+](=O)[O-])cc1O 519005192 LBTIOJGAACDEPJ-UHFFFAOYSA-N 433.464 4.053 5 20 IIBD CCCOc1c(Cl)cc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)cc1OC 520503373 LPIBFWQGSFIFAZ-UHFFFAOYSA-N 430.848 4.484 5 20 IIBD CN1C(=O)C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)[C@H]1c1cccc(Cl)c1 522335234 HEXOIWKUZCFASF-CXAGYDPISA-N 439.802 4.008 5 20 IIBD CN(C)C(=O)COc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1Cl 522374129 IBCVKSHUFBQXRR-UHFFFAOYSA-N 427.244 4.013 5 20 IIBD COC(=O)c1cc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(C)C)cc([N+](=O)[O-])c1 524047827 BGTKAXDBTBNUBW-UHFFFAOYSA-N 426.404 4.082 5 20 IIBD Cc1ccnc(-c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2)n1 533327285 JQZGXRHSAFAYGS-UHFFFAOYSA-N 438.387 4.180 5 20 IIBD O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)c1 533486879 CINGACZNNVNVRT-KRWDZBQOSA-N 431.876 4.009 5 20 IIBD COc1cc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)sc1Br 534736923 ITGXLMNJMGCAOP-OAHLLOKOSA-N 429.317 4.315 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1 538935610 UHBIMNDJSUGBJM-UHFFFAOYSA-N 444.535 4.141 5 20 IIBD COC[C@@H](NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 539133104 PSGOVWVMYBGVFU-OAHLLOKOSA-N 429.217 4.061 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N=c1nc(Cc2ccc(F)cc2F)[nH]s1 541648376 MPOPYDCMQQJVMS-UHFFFAOYSA-N 436.465 4.102 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(F)c(NC(=O)c3ccoc3C)c2)c1 541802130 LCSCJKIFTAJOAQ-UHFFFAOYSA-N 447.444 4.305 5 20 IIBD COc1cccc([C@@H]2C[C@H](C)CN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 542242225 VDMKMJFWRCKUGF-SJCJKPOMSA-N 444.431 4.394 5 20 IIBD O=C1NCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H]1c1ccccc1C(F)(F)F 542866441 CCSLBBGLCVQGCR-QGZVFWFLSA-N 449.410 4.142 5 20 IIBD CCOC(=O)c1sc([C@@H](C)NCCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)nc1C 543549028 YDPDABADGSJDLP-CYBMUJFWSA-N 430.486 4.085 5 20 IIBD CCc1ccc([C@H](NC2CCN([C@H]3CCCC[C@@H]3O)CC2)c2ccc([N+](=O)[O-])cc2)o1 544381992 LDJZDZSIXPROKX-WPFOTENUSA-N 427.545 4.197 5 20 IIBD CC(C)(C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1)c1ccc([N+](=O)[O-])cc1F 545154033 GJWJZGHZEHCDAU-UHFFFAOYSA-N 435.446 4.071 5 20 IIBD CCN([C@H](c1cccnc1)c1ccc(F)cc1F)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] 545363345 HGLPCGRMPIVYOL-OAQYLSRUSA-N 447.463 4.209 5 20 IIBD Cc1nc(-c2cccc(-c3noc(-c4ccc(-n5cncn5)c([N+](=O)[O-])c4)n3)c2)cs1 546394794 BXLDKPWSMAPCBZ-UHFFFAOYSA-N 431.437 4.324 5 20 IIBD O=[N+]([O-])c1ccccc1/C=C/c1nc(-c2cc(C(F)(F)F)ccc2-n2cncn2)no1 546471736 BLXLOKYZKXONKE-VMPITWQZSA-N 428.330 4.415 5 20 IIBD C[C@@H]1CCCN1C(=O)c1ccc(-c2noc(-c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)n2)cc1 546561972 UPZBUJXVZZOIPZ-OAHLLOKOSA-N 444.451 4.122 5 20 IIBD Cc1ccccc1COc1c(C)cc(CN(C)C(=O)c2cc([N+](=O)[O-])cnc2N)cc1C 546799623 XDANKTUOWILUIB-UHFFFAOYSA-N 434.496 4.348 5 20 IIBD CCN([C@@H](c1cccnc1)c1ccc(F)c(F)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 546883389 HLSZXVPQSLIJBU-HXUWFJFHSA-N 433.436 4.068 5 20 IIBD COCCC[C@H](CNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc(Cl)cc1 558106689 DEWXNJLWCBPMJL-QGZVFWFLSA-N 449.939 4.002 5 20 IIBD C[C@@H](NC1(Cc2ccc(F)cc2Cl)CCOCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 559410791 IFJZKNVOWNOUSB-CQSZACIVSA-N 435.883 4.096 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 560217317 PCCFXFUZIFHWSZ-SECBINFHSA-N 444.435 4.184 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NCCSCC(F)(F)F 560634137 APEHHSOTCYIMCO-UHFFFAOYSA-N 435.449 4.103 5 20 IIBD COc1ccccc1O[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 560788998 IHKMZOKIXCSFFY-QGZVFWFLSA-N 439.493 4.411 5 20 IIBD O=C(Cc1noc(-c2ccccc2OC2CCCCC2)n1)NCc1ccc([N+](=O)[O-])cc1 572920227 XZLIVTHWVVNBHX-UHFFFAOYSA-N 436.468 4.215 5 20 IIBD O=C(c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1)c1ccc(Cl)s1 581123815 LOJYSPAWIWHWHX-UHFFFAOYSA-N 428.651 4.277 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1nc(C)c(-c2ccc(Cl)cc2)o1 582996987 YCNQMJPMQDFFGX-UHFFFAOYSA-N 442.859 4.029 5 20 IIBD CCC[C@@]1(CO)CCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 589529712 AHVJCMIGCZQYBD-RUZDIDTESA-N 448.523 4.001 5 20 IIBD Cc1cc(C)n(-c2ccc(NC(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cn2)n1 603621077 XJENPBGEXHHWLQ-UHFFFAOYSA-N 448.405 4.252 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)C(C)C 603734936 TWKKDGULBNCGPB-UHFFFAOYSA-N 439.390 4.112 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 604193497 OBLJAKGUDHALQT-UHFFFAOYSA-N 442.686 4.153 5 20 IIBD CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 604519695 PPDBENJREMCYQO-WMZHIEFXSA-N 434.496 4.235 5 20 IIBD Cc1nc(CNC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)nc2ccccc12 608809078 OUOVYPAYDXAATQ-IYBDPMFKSA-N 433.512 4.259 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CN3CCC(c4nc(-c5ccccc5)no4)CC3)n2)cc1 609146179 JQTUGWVNXNIPST-UHFFFAOYSA-N 432.440 4.074 5 20 IIBD O=C(Nc1cccc(-c2nc(=O)o[nH]2)c1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 609171611 JFYRZKWDTXLDTF-UHFFFAOYSA-N 434.433 4.342 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 609186421 NITKKAQKTBORBV-NSHDSACASA-N 443.456 4.428 5 20 IIBD Cc1cc(C)nc(Sc2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3C)cc2)n1 609218962 YJWGVQDOZNRLOA-UHFFFAOYSA-N 430.511 4.262 5 20 IIBD O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 609443550 XYVJRSBWUXMUOI-UHFFFAOYSA-N 426.864 4.072 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1nnc(-c2cccc(Br)c2)s1 609507539 WAHACIWUMXFDAR-UHFFFAOYSA-N 448.302 4.317 5 20 IIBD O=C(CCCn1ccnc1)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 609791994 WFXKNWFSQLNFIP-UHFFFAOYSA-N 432.839 4.473 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)c1 609851920 JZHAIHCLILMNIW-UHFFFAOYSA-N 449.960 4.243 5 20 IIBD O=C(NCc1ccncc1)Nc1cccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1 609875131 VSRJDCROQPWXID-UHFFFAOYSA-N 425.832 4.217 5 20 IIBD COc1ccc(C(=O)Nc2ccccc2CN(C)C(=O)c2cccs2)cc1[N+](=O)[O-] 609981214 HTMVOMMPILLYNP-UHFFFAOYSA-N 425.466 4.189 5 20 IIBD CC(=O)N[C@H](CC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 610210454 SGFAFUGZPXOTJG-UYAOXDASSA-N 433.917 4.090 5 20 IIBD CNS(=O)(=O)Cc1ccc(CN[C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1 610803678 NYFQGXYLBYKJBH-HNNXBMFYSA-N 445.566 4.223 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@@H](c2nc3ccccc3o2)C1 610891288 ZEEJRGLPBUSYFR-OAHLLOKOSA-N 432.436 4.069 5 20 IIBD CC[C@@H](CS(=O)(=O)c1ccccc1)NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 611039314 VCLCENCBBKSUIW-INIZCTEOSA-N 444.509 4.206 5 20 IIBD COc1cc(CN(C)[C@H]2CCCc3c2cnn3C)ccc1OCc1ccc([N+](=O)[O-])cc1 611276029 AFPMIVHPIKVJMH-NRFANRHFSA-N 436.512 4.425 5 20 IIBD C[C@H](C(=O)N[C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21)c1ccc([N+](=O)[O-])cc1F 612488720 UZKFLSAQFVVFRK-JOXJFCDYSA-N 425.504 4.254 5 20 IIBD C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 727203413 PEGWMCBFADUCIS-SNVBAGLBSA-N 446.765 4.216 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)CCc2cscn2)c2ccccc2)c([N+](=O)[O-])c1 733528710 RJHXKBZWWHAVAF-HXUWFJFHSA-N 425.466 4.216 5 20 IIBD CC(C)[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)N1C[C@@H](C)C[C@@H](C)C1 740423606 TUQGDNTWLBXEQM-AHIWAGSCSA-N 441.322 4.043 5 20 IIBD C[C@@H](Oc1ccc(F)c(F)c1)C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 743606989 CLHMNFRVUZRSAD-CYBMUJFWSA-N 442.374 4.498 5 20 IIBD COC(=O)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(Cl)c1 743797177 UNOYXMIVGHBJGD-IAQYHMDHSA-N 441.267 4.090 5 20 IIBD O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])C1CCN(C(=O)c2ccc(F)cc2F)CC1 746061701 ZAPMOYYGGPOWOE-UHFFFAOYSA-N 438.814 4.122 5 20 IIBD O=C(/C=C\c1ccccc1)N1CCC(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 746936653 CBOAGQVMDNITIW-RAXLEYEMSA-N 433.508 4.038 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2cc(C(C)C)nn2C)c2ccccc2)c([N+](=O)[O-])c1 747005507 SIACBMZPNFZAPD-NRFANRHFSA-N 436.468 4.297 5 20 IIBD Cc1c(C(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 748715458 ROTWFMPFIKXLJX-UHFFFAOYSA-N 448.435 4.036 5 20 IIBD C[C@H](OC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 748909909 SOZNZYUJQZDVSU-GOPGUHFVSA-N 433.258 4.031 5 20 IIBD CN1CCN(c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2Cl)CC1 749132964 DCIPORXSLTYONR-UHFFFAOYSA-N 430.917 4.467 5 20 IIBD COc1cc(C(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)c([N+](=O)[O-])cc1OC(F)F 749581899 GQIITYRNYFAZFN-UHFFFAOYSA-N 432.383 4.464 5 20 IIBD CC1CCN(C(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Br)cc2)CC1 751095693 MKGVAPPQUISAFG-UHFFFAOYSA-N 446.301 4.482 5 20 IIBD CNc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 751415239 ZLNKMRPGCWERRK-QZTJIDSGSA-N 432.521 4.031 5 20 IIBD C=CC(=O)Nc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)ccc1F 751453498 XAHDBDSEFMTDIF-UHFFFAOYSA-N 426.448 4.347 5 20 IIBD Cc1cc(CSc2ncccc2C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)no1 751636502 TYIASPXDWYPLHX-UHFFFAOYSA-N 426.410 4.077 5 20 IIBD Cc1ccc(C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)cc1NC(=O)NC(C)(C)C 751668787 RZGLCUGFCFPTKH-UHFFFAOYSA-N 426.429 4.321 5 20 IIBD O=C(CN(Cc1ccccc1)C[C@H](O)c1ccco1)Nc1ccc(Cl)cc1[N+](=O)[O-] 752346001 JHQNSOOYKHSDTC-IBGZPJMESA-N 429.860 4.016 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N[C@@H](CO)C[C@@H](O)c3ccccc3)c([N+](=O)[O-])c2)cc1 754087958 VPXFUAWHJJOYBK-NFBKMPQASA-N 435.480 4.052 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 754477844 YFOWXMYHPXZKTL-UHFFFAOYSA-N 429.477 4.484 5 20 IIBD C[C@H]1CN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C[C@@H](c2ccsc2)O1 755026616 UKGAOURZPUBCJU-BONVTDFDSA-N 426.292 4.413 5 20 IIBD C[C@@H](C(=O)OCc1nc(N)c2c3c(sc2n1)CCCC3)c1ccc([N+](=O)[O-])cc1F 755065457 QTZVGDQWWGDCNV-SNVBAGLBSA-N 430.461 4.047 5 20 IIBD CC(C)(C)OC(=O)Nc1ccccc1CC(=O)O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 756570347 BTJKSEAQRFBYEM-QZTJIDSGSA-N 444.488 4.408 5 20 IIBD C[C@@H](OC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 756751008 BVEBHUHBSSDDAB-GLEZIHRCSA-N 447.658 4.159 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 756967600 SBSMRKVQHONYIY-CYBMUJFWSA-N 440.928 4.083 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N(Cc1ccccc1)C[C@H](O)c1ccsc1 757080894 PLZLXASYCUAMRJ-QFIPXVFZSA-N 448.504 4.218 5 20 IIBD Cc1cc(F)cc(C(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)c1[N+](=O)[O-] 758414723 RKHSABZIAVCUSO-UHFFFAOYSA-N 432.404 4.267 5 20 IIBD CCCn1nc(C)c(C(=O)OC2CCN(c3ccc([N+](=O)[O-])c(OCC)c3)CC2)c1C 759841914 ACHFVHLXRMDTKD-UHFFFAOYSA-N 430.505 4.043 5 20 IIBD Cc1cc(Cc2noc(C3CCN(C(=O)/C=C/c4ccccc4)CC3)n2)ccc1[N+](=O)[O-] 762296529 CPDAXNHBIJUKRK-CSKARUKUSA-N 432.480 4.296 5 20 IIBD C[C@H](C(=O)O[C@H](C)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1)c1cccc([N+](=O)[O-])c1 763421819 XEVRRPKFXLHKPC-LSDHHAIUSA-N 426.469 4.498 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)OCC[C@H]1CCCCN1C(=O)c1cccn1C 764612564 JDMAFXBLSWRESF-MRXNPFEDSA-N 445.541 4.287 5 20 IIBD CCOC(=O)C[C@H](OC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccc(F)c(F)c1 766951923 IHXPONIIDCUHPL-VOJFVSQTSA-N 425.359 4.353 5 20 IIBD CN(Cc1ccc(Br)c([N+](=O)[O-])c1)C1CCN(C(=O)c2ccccc2)CC1 769231416 BELFAJUUECLHJF-UHFFFAOYSA-N 432.318 4.094 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)O[C@@H](C)C(=O)N(C)Cc2ccccc2)CC1 772451430 WEPVQPNLEUWJHO-SFHVURJKSA-N 439.512 4.035 5 20 IIBD C[C@H](NC(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1cccc([N+](=O)[O-])c1 773498301 IJHOZJZIYLOXAC-INIZCTEOSA-N 432.521 4.088 5 20 IIBD C[C@H](OC(=O)c1cnc(Oc2ccccc2)cn1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 773669029 LFWPOYDLBHDZMP-ZDUSSCGKSA-N 433.380 4.145 5 20 IIBD Cc1c(NC(=O)[C@@H]2CC(C)C[C@H]2C(=O)Nc2cccc([N+](=O)[O-])c2C)cccc1[N+](=O)[O-] 775765723 MOZTWHLXQMHBAL-HZPDHXFCSA-N 440.456 4.359 5 20 IIBD CC(C)(C)OC(=O)NCc1ccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 777649883 DAADQMPANKJGSK-UHFFFAOYSA-N 441.893 4.074 5 20 IIBD Cc1oc(-c2ccsc2)nc1CC(=O)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 778802533 GHJPLXQKPWMMSL-HNNXBMFYSA-N 431.445 4.123 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C 779993379 GIBAESQDVWGGJE-HUUCEWRRSA-N 437.562 4.472 5 20 IIBD O=C(OCCn1cnc([N+](=O)[O-])n1)c1c(Cl)cccc1Oc1ccc(F)c(Cl)c1 781502307 MUTZJIDCGANKDL-UHFFFAOYSA-N 441.202 4.282 5 20 IIBD O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781555530 KIVFGPYVXOSMDD-OAQYLSRUSA-N 427.420 4.270 5 20 IIBD COc1ccc(N(Cc2ccco2)C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cc1F 781682387 ORUBAPKTSYRNAW-OAQYLSRUSA-N 439.399 4.062 5 20 IIBD Cc1ccc(-n2c(Sc3ncnc4ccc([N+](=O)[O-])cc34)nc3ccccc3c2=O)nc1 782138396 YYIDUGALPWOXIN-UHFFFAOYSA-N 442.460 4.092 5 20 IIBD CN(CCCc1cc(-c2ccccc2)no1)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F 782483996 TVSMMNCHBKAAHL-UHFFFAOYSA-N 426.448 4.282 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)Nc1ccc(N(C)Cc2ccccc2)cc1 783476892 ZDKQPJJXHBSHSC-UHFFFAOYSA-N 432.480 4.425 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1ccccc1)c1ccc(N)cc1Cl 783484128 KSUFTEVMNTXUEA-UHFFFAOYSA-N 438.871 4.311 5 20 IIBD CCc1cnc(COC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])s1 784199163 JDPBVNOEVLYZAN-UHFFFAOYSA-N 435.483 4.015 5 20 IIBD COC(=O)Nc1ccc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1F 785930432 VXVUDKRMPJZZAB-UHFFFAOYSA-N 430.314 4.253 5 20 IIBD COc1ccccc1[C@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1ccccn1 790910077 AOSCRHWNZKUXHC-NRFANRHFSA-N 429.835 4.239 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCc2nc(C3CCCCC3)[nH]c2C1 791275138 TVMCREZPSCRPJU-GOSISDBHSA-N 425.533 4.231 5 20 IIBD CN(CC(=O)Nc1cc(F)ccc1OC(F)F)c1cc(Br)ccc1[N+](=O)[O-] 797184607 PGUHPIXDJCZHAC-UHFFFAOYSA-N 448.195 4.173 5 20 IIBD C[C@H](NC(=O)COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc2ccccc2c1 798273373 WXJZURWIOGDPNV-KRWDZBQOSA-N 447.491 4.382 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1(c2cncc(Br)c2)CC1 799521384 KXPSSFLOOOIUSB-UHFFFAOYSA-N 444.241 4.182 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)Cn1nc(COc2ccc(Cl)cc2)n(C)c1=S 800866116 SMBVUXAMWUFJFE-UHFFFAOYSA-N 447.948 4.224 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)OC[C@@H]1CCN(C(=O)c2ccccc2)C1 801302461 NTJYCVZFYQJMFX-MRXNPFEDSA-N 428.510 4.414 5 20 IIBD COc1cc(COC(=O)c2ccc3c(C)cc(O)nc3c2)c([N+](=O)[O-])cc1OCC(F)F 808655958 GKNAODHAHBJKPH-UHFFFAOYSA-N 448.378 4.167 5 20 IIBD COc1cc(Br)ccc1OC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 809056416 VUVCCJTZJAXJRH-UHFFFAOYSA-N 442.287 4.213 5 20 IIBD O=C(OCc1ccccc1)N1CC[C@H](c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)C1 809433902 PPYDQBMGAQXIIB-INIZCTEOSA-N 447.451 4.176 5 20 IIBD Cc1c(NC(=O)N2CCC([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cccc1[N+](=O)[O-] 810145215 VYNHJHHLQWTLJL-QGZVFWFLSA-N 432.521 4.404 5 20 IIBD O=C(Cc1cc(F)cc2c1OCOC2)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811218868 GNIPOSYPLNKYNU-UHFFFAOYSA-N 430.413 4.010 5 20 IIBD Cn1cc(-c2nc([C@H]3CCCN3C(=O)OC(C)(C)C)no2)c(-c2ccc([N+](=O)[O-])cc2)n1 811830656 YFDMTHAKDRUMNK-MRXNPFEDSA-N 440.460 4.117 5 20 IIBD COC(=O)C[C@@](C)(NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1cccc(OC)c1 813202468 FCGSBZRQZOAJCW-LJQANCHMSA-N 441.267 4.119 5 20 IIBD CNc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1[N+](=O)[O-] 814428783 OCLBSUULAMTPJL-QZTJIDSGSA-N 446.548 4.136 5 20 IIBD CC/C(=C/C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)c1cccc(Cl)c1 819208489 SHYAGXAHVZQBLC-NXVVXOECSA-N 427.888 4.026 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)Nc1cc(Cl)ccc1F 823195483 ZMZLHDNBPRMDHG-UHFFFAOYSA-N 435.839 4.173 5 20 IIBD O=[N+]([O-])c1ccc(C(F)(F)F)cc1-c1nc(-c2cccc(CN3CCOCC3)c2)no1 904498337 ZDDPWCALYLNFRR-UHFFFAOYSA-N 434.374 4.163 5 20 IIBD Cc1cc(C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c(C)n1Cc1ccccc1 914891224 IITFIIDLEGAGJW-UHFFFAOYSA-N 432.436 4.468 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCC(=O)N(Cc1ccccc1)C(C)(C)C 916522820 ONERDMAXLFPAJO-INIZCTEOSA-N 430.526 4.446 5 20 IIBD Cc1cc(=O)c(C(=O)OCc2ccc(-c3ccccc3)cc2)nn1-c1ccccc1[N+](=O)[O-] 917513962 QSOCRQXDINOXPO-UHFFFAOYSA-N 441.443 4.473 5 20 IIBD COc1ccc([C@@H]2CCCCCN2C(=O)COC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 918845249 YUYBXJUXCQCLMU-FQEVSTJZSA-N 426.469 4.213 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2c(C(C)C)noc2n1 920896026 ILUXWJKKQNFTFQ-NSHDSACASA-N 446.847 4.400 5 20 IIBD O=C(CCOc1ccc(Cl)cc1Br)N1Cc2ccc([N+](=O)[O-])cc2C1 1116144578 XAPIZPMMSNWTPF-UHFFFAOYSA-N 425.666 4.322 5 20 IIBD Cc1cc(CN2CCCN(Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)CC2)no1 1254004142 GZWQOXNUBZNWHC-UHFFFAOYSA-N 435.528 4.367 5 20 IIBD CCOc1cc(C(=O)Nc2cccc(OC)c2Br)c([N+](=O)[O-])cc1OC 1320336595 CLYVGFYYLSTWDD-UHFFFAOYSA-N 425.235 4.026 5 20 IIBD O=C(Nc1ccccc1)NC1CCN(Cc2ccc([N+](=O)[O-])cc2Br)CC1 1320711626 MHOBWGDREQFPGF-UHFFFAOYSA-N 433.306 4.143 5 20 IIBD O=C(NCCc1coc(-c2ccccc2)n1)c1cc(F)cc([N+](=O)[O-])c1Br 1323705311 YRZATPCOWNZTKT-UHFFFAOYSA-N 434.221 4.124 5 20 IIBD CC(C)n1ncc2c1[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)CCC2 1323866931 MZZJMNDALPVUDN-ZDUSSCGKSA-N 433.317 4.035 5 20 IIBD CC(C)c1nc(-c2ccccc2NC(=O)c2cc(Br)cc([N+](=O)[O-])c2N)n[nH]1 1344691757 LVFSBCWCTMVSAV-UHFFFAOYSA-N 445.277 4.100 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@H]3C[C@]3(F)Cl)cc2)CCC1)c1ccc([N+](=O)[O-])cc1F 1791672671 DBLOPEKMKGLWMD-IIBYNOLFSA-N 449.841 4.406 5 20 IIBD C[C@H]1CCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3cccc([N+](=O)[O-])c3)CCC1)C2 1797919932 RIWIGKGQSQGCLO-UWQHEJLZSA-N 439.556 4.091 5 20 IIBD CC(C)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2F)n[nH]1 1821051774 GMRZXQBFCWWEGA-GOSISDBHSA-N 431.468 4.199 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)n[nH]1 1821842708 YCZDANYOKAXMGH-IFXJQAMLSA-N 445.495 4.128 5 20 IIBD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC([C@H]2CCCCN2C(=O)C23CCC(CC2)CC3)CC1 1832390592 YRSDHRTUJLPTRL-STWKMJTMSA-N 442.560 4.127 5 20 IIBD C[C@@]1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)CC=CCC1 1832400221 IQOHGJZMHKZNGC-FDDCHVKYSA-N 429.517 4.168 5 20 IIBD C[C@H](OC(=O)c1ccc(Br)s1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 9606521 GNAXFVSIYLJRGE-ZETCQYMHSA-N 433.667 4.256 5 20 IIBD COC(=O)c1cc(C(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)cc([N+](=O)[O-])c1 10692598 LUPLYMXTBZIWHK-OAQYLSRUSA-N 443.459 4.425 5 20 IIBD Cc1cccc(S(=O)(=O)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c2ccccc2)c1 15395409 NIVYDSIMMPIZPD-UHFFFAOYSA-N 440.477 4.165 5 20 IIBD CCN(c1ccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1)C(C)C 15992045 UMNGBCXCOCJVFI-UHFFFAOYSA-N 440.529 4.362 5 20 IIBD O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1ccc(Cl)cc1C(F)(F)F 16516351 XIJXHKIOFHZMRT-UHFFFAOYSA-N 442.825 4.028 5 20 IIBD COc1cc([C@@H](C)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1OC(C)C 26953516 JKIPTHPACRDLNA-MRXNPFEDSA-N 427.501 4.482 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(NC(=O)[C@@H](C)n2cccn2)c1 31612333 AUOFCODEAAFHPX-HUUCEWRRSA-N 439.497 4.110 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ncc(Cc3ccc(C)c(F)c3)s2)cc([N+](=O)[O-])c1 31956619 VLCQNVDPKHEDNP-UHFFFAOYSA-N 429.429 4.129 5 20 IIBD CCNc1ccc(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)cc1[N+](=O)[O-] 57896475 IYNUZAYMRDUPBX-UHFFFAOYSA-N 444.289 4.286 5 20 IIBD Cc1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1NS(=O)(=O)c1ccccc1 60414637 ISVLGHBDVXCLNI-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD COc1cc(C(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)c([N+](=O)[O-])cc1OC(F)F 61231118 YHEUEZCLFJXKJM-OAHLLOKOSA-N 446.410 4.367 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC(c2nc(-c3ccccn3)no2)CC1 110552429 KAROQGVASYLOER-UHFFFAOYSA-N 428.836 4.105 5 20 IIBD CC1CCN(c2ccc(C(=O)NCc3ccc(NC(=O)C(C)C)cc3)cc2[N+](=O)[O-])CC1 138329025 QRUMGGMVINWEAE-UHFFFAOYSA-N 438.528 4.356 5 20 IIBD O=c1c(Cl)c(N[C@H](c2ccccc2)c2ccccn2)cnn1-c1ccc([N+](=O)[O-])cc1 301190022 YDDLCRVHZUGOMK-OAQYLSRUSA-N 433.855 4.391 5 20 IIBD O=[N+]([O-])c1cncc(Br)c1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 302173829 MOGLMQCZTHQSFV-AWEZNQCLSA-N 432.196 4.349 5 20 IIBD COc1ccc(Cn2ncc(C)c2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1OC 303000745 HSOGWLRZKYPIPN-UHFFFAOYSA-N 430.848 4.071 5 20 IIBD Cc1ccc(NCCCNC(=O)CCc2cc(Br)cs2)c([N+](=O)[O-])c1 303802894 LYIKSCBTUULOFG-UHFFFAOYSA-N 426.336 4.278 5 20 IIBD Cc1ccc(NCCCNC(=O)N(Cc2ccc(F)cc2)C2CCOCC2)c([N+](=O)[O-])c1 426133766 NOIHDPRDJHDSDX-UHFFFAOYSA-N 444.507 4.235 5 20 IIBD O=C(N[C@@H]1CCN(c2ccccc2OC(F)F)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 426480196 QRZRQMCMUUEPKE-MRXNPFEDSA-N 446.454 4.149 5 20 IIBD COC(=O)c1cccc(NC(=O)c2cccc(SC)c2[N+](=O)[O-])c1Br 427743920 KMSDXBXBWWKDKC-UHFFFAOYSA-N 425.260 4.118 5 20 IIBD CCN(C[C@@H](O)C(F)(F)F)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 428500227 QKUMQRBEUYQVST-QGZVFWFLSA-N 445.825 4.246 5 20 IIBD CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 430432590 AMNXZHKPZWFQNE-FUHWJXTLSA-N 427.309 4.110 5 20 IIBD O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)c1ccc(Br)cc1[N+](=O)[O-] 430606926 XQXABYFMXDOHCR-CYBMUJFWSA-N 438.709 4.410 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N(Cc1ccccc1)CC1CCOCC1 430927323 IFHUNMOOFRTBMH-UHFFFAOYSA-N 433.302 4.426 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCc2ccc(Br)cc21 431446200 QHKZIFCGBRBUJP-UHFFFAOYSA-N 426.064 4.323 5 20 IIBD CCCNC(=O)c1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1Cl 431461453 ALQCAFIGQRWUIY-UHFFFAOYSA-N 440.681 4.403 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nnc([C@@H]2CCCc3ccccc32)s1 432534547 LFJDVTUMVKSBKM-OAHLLOKOSA-N 430.511 4.024 5 20 IIBD CCOc1cc(NC(=O)c2cc(-c3ccc4c(c3)CCO4)no2)c([N+](=O)[O-])cc1OCC 434007115 FMFNOUKNLOWLMV-UHFFFAOYSA-N 439.424 4.234 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1nc2c(s1)CCCCCC2 434999804 NMOZENQZVGKMAI-UHFFFAOYSA-N 430.530 4.086 5 20 IIBD CCNc1ccc(C(=O)Nc2cc(C)nn2[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] 435285274 PFODTFKDEIWPGW-HXUWFJFHSA-N 448.527 4.231 5 20 IIBD C[C@@H]1C[C@@H](C)CN(CCCCNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 436009208 WOAJVLOWRIFFBH-HZPDHXFCSA-N 441.522 4.447 5 20 IIBD CC(C)c1ccc(C(=O)N(C)CC(=O)Nc2ccccc2Br)cc1[N+](=O)[O-] 438963000 HKBTXQRSEALHSJ-UHFFFAOYSA-N 434.290 4.191 5 20 IIBD COc1ccc([C@H](CNc2cccc(C(N)=O)c2[N+](=O)[O-])c2c[nH]c3ccccc23)cc1 439127131 AQGGCPVRIIIUOP-IBGZPJMESA-N 430.464 4.428 5 20 IIBD O=C1C[C@@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)CN1Cc1ccccc1 440608220 HYMZQJHBHGETDR-OAQYLSRUSA-N 429.476 4.177 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCC[C@@H]2c2ccc(C)cc2)cc1OC 443898571 RETONMSLNLQGDL-UYAOXDASSA-N 442.512 4.345 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)c(C)c3ncccc23)cc1OC 443924925 GFUGLCNKDCEWIC-UHFFFAOYSA-N 425.441 4.046 5 20 IIBD CCc1nc(CN2CCC(CNC(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CC2)cs1 443945271 IUPJZHZAVQQOFA-UHFFFAOYSA-N 431.562 4.264 5 20 IIBD CCOc1ccc([C@@H](C)NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1OC 444855520 IFSMIYBQBFIMNX-SECBINFHSA-N 429.292 4.317 5 20 IIBD COc1cc(Cc2noc(-c3cc(C)ccc3Br)n2)c([N+](=O)[O-])c(OC)c1 445822234 PTUBXJOFOTXTKF-UHFFFAOYSA-N 434.246 4.324 5 20 IIBD COCCOc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1Cl 446001790 LTOXCTXGEYQMIX-UHFFFAOYSA-N 443.681 4.217 5 20 IIBD Cc1ccc(-c2ncccc2NC(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)s1 446054191 NWPJXWHNBYZNDI-UHFFFAOYSA-N 438.509 4.104 5 20 IIBD COc1cc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)ccc1OCC(F)(F)F 447536864 QRSINFVBRBFQRX-HUUCEWRRSA-N 428.411 4.015 5 20 IIBD C[C@@H](c1cccnc1)N(C)C(=O)c1cc(C(=O)N(C)[C@@H](C)c2cccnc2)cc([N+](=O)[O-])c1 460672593 NWNCFQMVSFSGEM-IRXDYDNUSA-N 447.495 4.051 5 20 IIBD O=[N+]([O-])c1ccccc1CN(c1nnc(CC2CCCC2)n1C[C@H]1CCOC1)C1CC1 461622672 YDVJGVLMRALOFC-GOSISDBHSA-N 425.533 4.125 5 20 IIBD Cc1cc(Sc2nnc(CN3CCCC3)n2Cc2ccccc2)c(F)cc1[N+](=O)[O-] 461718087 LRKMNUCERYUYCE-UHFFFAOYSA-N 427.505 4.429 5 20 IIBD C[C@H](c1ccncc1)N1CCC(Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 462497322 ZEVNHHNVTWZVDO-GOSISDBHSA-N 433.512 4.601 5 20 IIBD Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] 463288619 MPVSXMZBAJFENX-CALCHBBNSA-N 438.528 4.096 5 20 IIBD CS(=O)(=O)c1cccc(NCc2ccc(OCc3ccccc3F)cc2)c1[N+](=O)[O-] 463738374 PVAFDMLVOXGARM-UHFFFAOYSA-N 430.457 4.329 5 20 IIBD COc1cc(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])ccc1OC(C)C 464259425 UUTZFOKQWCOOOU-UHFFFAOYSA-N 426.372 4.253 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N(Cc1ccccc1F)c1ccccc1F 465134584 BLOBNBLUTWVFNA-UHFFFAOYSA-N 440.402 4.420 5 20 IIBD CC(C)CCOc1ccc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1 465340314 WSKAUNOMXXAOLF-UHFFFAOYSA-N 427.457 4.347 5 20 IIBD Cc1ccc(CNC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c(O[C@@H](C)CC(C)C)c1 468576097 LXKFGUVZWGVITN-KRWDZBQOSA-N 427.501 4.280 5 20 IIBD CCN1CC[C@@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@H]1c1cc(F)c(F)c(F)c1 470144791 PCMQKAJRFSLTSQ-SJLPKXTDSA-N 426.370 4.108 5 20 IIBD O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 473300369 JAUAQFPVUXOTIS-SFHVURJKSA-N 429.495 4.072 5 20 IIBD C[C@@H](NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)C(=O)N1Cc2ccccc2C1 477578583 LVRWQIXUHXSFKX-MRXNPFEDSA-N 447.516 4.407 5 20 IIBD O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 479718938 UTMNYBDXBXSDMA-UHFFFAOYSA-N 433.468 4.049 5 20 IIBD O=C(NCCCOC1CCN(Cc2ccccc2)CC1)c1cc(Cl)cc([N+](=O)[O-])c1 482451274 RWJNLHSSGKIWLJ-UHFFFAOYSA-N 431.920 4.049 5 20 IIBD Cc1ccnc(-n2nccc2NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c1 484923416 DIXOYIPPNYSHPJ-IRXDYDNUSA-N 434.500 4.219 5 20 IIBD CCOc1cc(NC(=O)C(=O)N(C)[C@H](C)c2cc(C)ccc2C)c([N+](=O)[O-])cc1OCC 485382353 JVYDMLQJVXGXQJ-MRXNPFEDSA-N 443.500 4.167 5 20 IIBD Cc1nncn1-c1cccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 486422500 DINOCYAOEPCYCT-UHFFFAOYSA-N 429.436 4.315 5 20 IIBD O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCN2CCOc3cccc1c32 486439467 YOZHMWCGVRGVNW-UHFFFAOYSA-N 431.448 4.033 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])NC1(c2cccc(C(F)(F)F)c2)CCOCC1 486929871 WFXAFJCEEWUCHS-UHFFFAOYSA-N 437.418 4.238 5 20 IIBD O=C(Nc1cccc(-c2noc(C(F)(F)F)n2)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 490274133 RUEZEYQPZPDZLV-UHFFFAOYSA-N 444.329 4.102 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 490831610 ZESDXYGQSCLZPU-UHFFFAOYSA-N 431.495 4.326 5 20 IIBD CNC(=O)c1ccc(Cl)c(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1 500313581 FNYDZMQMDYSUDB-OKILXGFUSA-N 444.919 4.342 5 20 IIBD CCOc1cc(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)c([N+](=O)[O-])cc1OCC 501850807 OVKDABUNHUVKIH-LJQANCHMSA-N 442.516 4.351 5 20 IIBD COc1cccc(-n2nc(C)c([C@@H]3COCCN3Cc3c(F)cccc3[N+](=O)[O-])c2C)c1 502367008 NXKGXCLGDMGAGL-QFIPXVFZSA-N 440.475 4.119 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N(Cc1ccc(O)cc1)Cc1ccco1 502522544 LIYQVZJBGJKINO-UHFFFAOYSA-N 431.242 4.499 5 20 IIBD COC(=O)c1sccc1NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 506154209 XHCKAKRUIWHATJ-LBPRGKRZSA-N 426.454 4.263 5 20 IIBD COc1cc(CN(C)Cc2nccn2C(F)F)ccc1OCc1ccc([N+](=O)[O-])cc1 507080618 BZAVNHROZDSOEE-UHFFFAOYSA-N 432.427 4.406 5 20 IIBD Cc1ccccc1-n1nc(C)c(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)c1C 508420843 JMPUXUMBFZRAPF-UHFFFAOYSA-N 431.500 4.138 5 20 IIBD O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)c1 510460473 MSQMYQPZLAWGNK-ROUUACIJSA-N 428.432 4.369 5 20 IIBD CCOc1cccc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 511474423 LEGHCLGHYWESLE-UHFFFAOYSA-N 438.406 4.366 5 20 IIBD COc1cc(CN(CCCO)Cc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])cc1OC 511654688 FLBYXALNSZLOFR-UHFFFAOYSA-N 429.300 4.303 5 20 IIBD C[C@H]1CCC[C@H](OCc2cccc(NC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)c2)C1 513242237 YOAOTEUAMLOTSQ-KXBFYZLASA-N 446.525 4.346 5 20 IIBD CCOC(=O)CN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@@H](C)c1ccccc1 513906297 WFQUOLTUELIZCI-IBGZPJMESA-N 442.515 4.308 5 20 IIBD O=C(c1ccccc1OC(F)F)N1CCC[C@H]1c1nc(Cc2ccccc2[N+](=O)[O-])no1 518253595 FOMJTCCMDOIGKP-INIZCTEOSA-N 444.394 4.147 5 20 IIBD O=C(NCc1ccccn1)c1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1Cl 518370802 IBFGZBUAEWFEHY-UHFFFAOYSA-N 445.262 4.479 5 20 IIBD Cc1ccc2nc(COc3ccccc3C(=O)N3CCc4ccc([N+](=O)[O-])cc43)cn2c1 518741132 LPVMPJHFLYFDMT-UHFFFAOYSA-N 428.448 4.333 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 521008156 WVAXHQZIOMCVBJ-UHFFFAOYSA-N 435.459 4.170 5 20 IIBD CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 522159475 DNVOZDJFIGGYBX-YOEHRIQHSA-N 439.603 4.163 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](CC(=O)N(C)C)c2cc(Cl)ccc21 525024180 PLHXRRVPTCRORU-KGLIPLIRSA-N 447.944 4.338 5 20 IIBD COc1ccc(CC(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1[N+](=O)[O-] 531593549 DKEAWOLPQIRYRY-AWEZNQCLSA-N 425.268 4.133 5 20 IIBD COc1ccc(CNc2ccn(Cc3ccncc3)n2)cc1OCc1ccc([N+](=O)[O-])cc1 532428101 ZKLWLWJVZBJLFJ-UHFFFAOYSA-N 445.479 4.434 5 20 IIBD O=C(CN1CCC(C(=O)c2cc(F)ccc2F)CC1)Nc1ccc([N+](=O)[O-])cc1Cl 532477248 ANHFPAWZICJWND-UHFFFAOYSA-N 437.830 4.060 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC2(CCN(Cc3ccccc3)C2)CC1 534220097 WKQDCYITSYJAMI-UHFFFAOYSA-N 432.524 4.133 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 534399018 SMVTXNUXYRBQNI-JLZZUVOBSA-N 430.448 4.170 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 534645792 UDRDDAOMOLYLOU-INIZCTEOSA-N 429.860 4.469 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Sc2nnc(C)n2[C@@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 536090657 NTKVFHUPEOGPDG-VNHYZAJKSA-N 433.534 4.374 5 20 IIBD CCC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c1 537054900 BDEIGZBEKSWUOF-HZPDHXFCSA-N 448.545 4.086 5 20 IIBD CN(Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@H]1CCCC[C@@H]1S(C)(=O)=O 537631353 SNUUEANVSIANGH-RXVVDRJESA-N 436.505 4.314 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CC=C(c2ccccc2Cl)CC1 538441631 BCFCWVANCCFLDW-UHFFFAOYSA-N 427.888 4.014 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)c1 538791403 XFOXLXBVJBDRJB-UHFFFAOYSA-N 430.289 4.386 5 20 IIBD CCc1nn(C)c(OC)c1CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 539022479 WVLPZLSSRLUELH-UHFFFAOYSA-N 444.875 4.275 5 20 IIBD CCC(=O)N1CCC[C@H](C(=O)N(CC(C)C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)C1 539351007 FPPJEWYWHZIKRT-INIZCTEOSA-N 444.557 4.356 5 20 IIBD CCN1CCN(Cc2ccc(NC(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])cc2)CC1 539382353 KKIWINUTFKZSNR-UHFFFAOYSA-N 445.523 4.047 5 20 IIBD CCN1CC[C@@H](N(C)Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C[C@H]1C 539817237 LXIIOBMOKQQTOG-XMSQKQJNSA-N 427.545 4.487 5 20 IIBD O=C(c1ccc(-c2ccccc2F)o1)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 541841437 NAWWOMHUPQTPAS-UHFFFAOYSA-N 449.442 4.223 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 542016222 HTAFCEPIOGGOTH-DGCLKSJQSA-N 445.829 4.128 5 20 IIBD CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)CC2 542601199 NNRBGYKZUXXXCO-SFTDATJTSA-N 448.585 4.269 5 20 IIBD O=C(N1CCc2sccc2C1)N1CCC[C@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 544934439 NZLYHOALCYHWRQ-INIZCTEOSA-N 439.497 4.064 5 20 IIBD Cn1cnnc1Sc1ccc(-c2nc(-c3ccccc3OC(F)F)no2)cc1[N+](=O)[O-] 545051827 MYTGPOWWMPUXLH-UHFFFAOYSA-N 446.395 4.193 5 20 IIBD Cc1c(Cc2nc(-c3ccc(N4CCCN(C)CC4)c(Cl)c3)no2)cccc1[N+](=O)[O-] 545067855 DVTLDYDCQWDMAC-UHFFFAOYSA-N 441.919 4.339 5 20 IIBD Cc1ccc(COc2c(C)cc(CN(C)C(=O)c3cc([N+](=O)[O-])cnc3N)cc2C)cc1 545388311 PUUUIYPRPQJGSQ-UHFFFAOYSA-N 434.496 4.348 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](c2cncc(Br)c2)C2CC2)c1 552415994 KTMUMYITBBJWJO-LJQANCHMSA-N 434.290 4.097 5 20 IIBD CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 555295285 DMVDHWAHOPGROI-SFHVURJKSA-N 442.903 4.101 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CC[C@@H](Sc2cccc(Cl)c2)C1 558116800 KWGKMRLQDAJIHN-QGZVFWFLSA-N 447.944 4.092 5 20 IIBD Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])C1 561424682 CMZKXCIINMURAD-SNVBAGLBSA-N 433.228 4.494 5 20 IIBD COc1cc(CN[C@H](CO)c2ccc(F)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 561497178 SASBPPFBUSMZEA-OAQYLSRUSA-N 426.444 4.145 5 20 IIBD Cc1cc([N+](=O)[O-])cc(Cl)c1NCc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1 563556952 DLNXCSNPBWRZDE-NRFANRHFSA-N 428.876 4.394 5 20 IIBD COc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1c1nc(-c2ccc([N+](=O)[O-])s2)no1 566704511 HVURIDQQGZQNBT-SGTLLEGYSA-N 439.453 4.146 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CNCc2cc(-c3ccccc3)on2)c1 567034121 RIWXSJILMZUCCH-UHFFFAOYSA-N 435.221 4.144 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 572864525 OGTAGNJYFKGCSH-UHFFFAOYSA-N 426.517 4.200 5 20 IIBD C[C@@H](CCCC(F)(F)F)NC(=O)c1cc(I)cc([N+](=O)[O-])c1 574581680 RSZUBTXSRQIKBD-QMMMGPOBSA-N 430.164 4.050 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC(c3c[nH]nc3C)CC2)c([N+](=O)[O-])c1 585754956 XTEZZEFLRDRKOR-QHCPKHFHSA-N 433.512 4.494 5 20 IIBD O=[N+]([O-])c1cc(CNS(=O)(=O)c2c(Cl)ccc(F)c2F)cc(C(F)(F)F)c1 588132070 FTZVGHIRNILKCN-UHFFFAOYSA-N 430.738 4.024 5 20 IIBD CC1(C)C(=O)N[C@H]1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC1 590526607 BCNBNDSKNNOPRI-IBGZPJMESA-N 431.558 4.006 5 20 IIBD C[C@@H](Sc1nnc(-c2ccc(OC(F)F)cc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 594669182 AHZDXDUCQSKXBV-SNVBAGLBSA-N 436.396 4.366 5 20 IIBD COCCN(CCc1ccccc1)C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 603520197 CQFNFNZGJQLYDD-UHFFFAOYSA-N 425.529 4.162 5 20 IIBD CSc1nnc(CCCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)n1C1CCCC1 604083022 HJRTYNDAXIXBSQ-UHFFFAOYSA-N 429.502 4.132 5 20 IIBD O=C(NC[C@H]1Cc2ccccc21)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 604108890 PBOJWSSGSJRKEQ-MRXNPFEDSA-N 433.430 4.286 5 20 IIBD CC1CCN(c2ccc(C(=O)NC[C@@H](c3ccc(F)cc3)N(C)C)cc2[N+](=O)[O-])CC1 604181285 BEPFKGPTBIEONU-QFIPXVFZSA-N 428.508 4.003 5 20 IIBD CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 609385671 IFFXDRPRAHSQGI-UHFFFAOYSA-N 436.447 4.239 5 20 IIBD O=C(NC[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1)Nc1cccc(F)c1 609545047 OTXGEXMEFFBDJE-CYBMUJFWSA-N 449.870 4.453 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC(CCc2ccc(C)cc2)CC1 609841712 JFMYXDSIIXDUFI-FQEVSTJZSA-N 427.549 4.007 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)cc1SC 610069488 NMHBCHLNEPNQSQ-ZDUSSCGKSA-N 435.477 4.308 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cc(C)c(OCC(=O)N2CCCCC2)c(C)c1 610168817 MWGRSZQBKZUAED-UHFFFAOYSA-N 439.512 4.472 5 20 IIBD CC(C)(C)CC(=O)Nc1ccc(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)cc1 610169652 RYLLJKGWDGUDKO-UHFFFAOYSA-N 441.484 4.312 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3c(cnn3C(F)F)c2)c(C(F)(F)F)c1 610955233 YAMKHMQPKGOFEP-UHFFFAOYSA-N 436.318 4.159 5 20 IIBD O=C(NC[C@H]1CCN(c2ccc(Cl)cc2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 610963858 YHNNBAXVQSSJFF-MRXNPFEDSA-N 428.920 4.449 5 20 IIBD O=C(Nc1ccc(-c2nc(=O)o[nH]2)cc1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611205824 JOOXHAUOXJSSPF-UHFFFAOYSA-N 426.454 4.225 5 20 IIBD O=C(NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 611209211 GGNCXPWYDFXHOT-KRWDZBQOSA-N 428.920 4.449 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@@H]2COc3cc(F)cc(F)c32)cc1[N+](=O)[O-])c1ccccn1 612222509 AYWYKCLWBGWICD-KPZWWZAWSA-N 440.406 4.305 5 20 IIBD Cc1cc(-c2noc([C@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)n2)ccc1Br 612869770 QIDKEJANUDYJBC-NSHDSACASA-N 431.246 4.207 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)CCc2cc(Br)cs2)cccc1[N+](=O)[O-] 730648249 VSYURYJOBNBPHY-NSHDSACASA-N 441.303 4.230 5 20 IIBD C[C@@H](OC(=O)Cc1ccc(Cl)cc1Br)C(=O)Nc1ccc([N+](=O)[O-])cc1 733601211 BUNCAWLZPFKVRG-SNVBAGLBSA-N 441.665 4.124 5 20 IIBD COc1cc(OCC(=O)O[C@H](Cc2ccc(Cl)cc2)C(F)(F)F)ccc1[N+](=O)[O-] 733946856 CCTIEEHMBMHSQR-MRXNPFEDSA-N 433.766 4.352 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OC[C@@H]2CCCN(Cc3ccccc3)C2)cc1SC 734298862 LUSDUKUQTIGPBH-QGZVFWFLSA-N 430.526 4.394 5 20 IIBD Cc1ccc(-c2ccc(C(=O)OCCNc3ccc(C(N)=O)cc3[N+](=O)[O-])c(F)c2)cc1 735897094 HNAGUABCDIWGFM-UHFFFAOYSA-N 437.427 4.077 5 20 IIBD C[C@@H](CC(=O)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccc(C(F)(F)F)c1 738739182 ACHXJYIAFHFVPM-ZDUSSCGKSA-N 436.386 4.240 5 20 IIBD COC(=O)C1=C(C)N(CCc2cccs2)C(=O)N[C@H]1c1cc(Cl)ccc1[N+](=O)[O-] 739667244 KSSIBPYEWCVVFG-KRWDZBQOSA-N 435.889 4.066 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 740482902 IDUQNVVFZUKGIN-QGZVFWFLSA-N 448.564 4.252 5 20 IIBD COc1ccc([C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)c2ccccc2Cl)c(OC)c1 742889991 PQSCVWGENRCWHE-OAQYLSRUSA-N 441.871 4.367 5 20 IIBD O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 743789831 XPWFLEBOTCEXKT-UHFFFAOYSA-N 446.431 4.438 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(=O)Nc1c(F)cccc1F 744554947 ZJDRURQSERANMC-CYBMUJFWSA-N 433.411 4.047 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])ccc1NC(=O)CC(C)C 745297236 ZUXCAOYQGLMSCL-UHFFFAOYSA-N 447.875 4.337 5 20 IIBD O=C(Nc1sc2c(c1C(=O)NC1CC1)CCC2)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 746856190 GPACEFRGRRVCDQ-UHFFFAOYSA-N 439.415 4.308 5 20 IIBD CC(C)(C)OC(=O)NC1CCC(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 746857060 OAUDWOZAOLNRSU-UHFFFAOYSA-N 431.411 4.179 5 20 IIBD C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 747319059 MZIJYRIFQUVKEP-HZPDHXFCSA-N 431.920 4.349 5 20 IIBD COc1cc(C(=O)NC2CCC(C)(O)CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 749457790 XGZYLWYGOKJFSH-UHFFFAOYSA-N 434.876 4.473 5 20 IIBD O=C(OCc1ccc2ccccc2n1)c1ccc([N+](=O)[O-])cc1I 751061345 FPVLBRGUKGMEQT-UHFFFAOYSA-N 434.189 4.105 5 20 IIBD CC(C)[C@H](OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)C(=O)NC1CCCCC1 751691003 GSLIJLBKSQGWNL-INIZCTEOSA-N 445.285 4.127 5 20 IIBD Cc1c(Br)cc(C(=O)N(C)Cc2ccn(-c3ccccc3)n2)cc1[N+](=O)[O-] 753040706 LWJLQXLMXWUQEM-UHFFFAOYSA-N 429.274 4.124 5 20 IIBD COc1ccc(CNC(=O)N(Cc2ccccc2)C[C@H](O)c2cccs2)cc1[N+](=O)[O-] 755932046 FINGXPQPDXEWOI-IBGZPJMESA-N 441.509 4.110 5 20 IIBD CC(C)N(C(C)C)S(=O)(=O)c1ccc(NCc2cc([N+](=O)[O-])ccc2Cl)nc1 756974466 OZSLGTUVUKSSQR-UHFFFAOYSA-N 426.926 4.063 5 20 IIBD CCC[C@H]1CCCN(C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 757741977 RPIJYPYKYWLVEQ-INIZCTEOSA-N 432.498 4.015 5 20 IIBD Cc1cc(F)cc(C(=O)Nc2ccc(CN3CCN(c4ccccn4)CC3)cc2)c1[N+](=O)[O-] 758448664 YMFVHYUGGZDMLU-UHFFFAOYSA-N 449.486 4.012 5 20 IIBD COc1ccc([C@@H](OC(=O)CCn2cc([N+](=O)[O-])nc2C)c2ccc(Cl)cc2)cc1 766514742 KXSNKIGJBLYEHQ-NRFANRHFSA-N 429.860 4.485 5 20 IIBD COc1cccc(C(=O)OCC(=O)N[C@H](c2ccc(C)cc2)c2cccs2)c1[N+](=O)[O-] 769602343 OGJMMXJLCMIHPO-HXUWFJFHSA-N 440.477 4.036 5 20 IIBD Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1cc(Br)cc([N+](=O)[O-])c1 770474626 CDBFYFIOUJZOFV-MJGOQNOKSA-N 430.302 4.114 5 20 IIBD CC(C)(C)OC(=O)N1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2O)(c2ccccc2)CC1 770864488 XXPRDBFLEXRLQX-UHFFFAOYSA-N 441.484 4.208 5 20 IIBD COc1ccc(C(=O)O[C@@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])nc1Cl 774366689 CYIFAJZBXKITOF-AWEZNQCLSA-N 443.681 4.460 5 20 IIBD Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2I)c(C)c(C)c1O 774832557 LEPOJKLRGLUMEQ-UHFFFAOYSA-N 426.210 4.083 5 20 IIBD CCN([C@@H](C)Cc1ccsc1)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 778135645 DJZTXSBWGUCXHA-NSHDSACASA-N 433.349 4.061 5 20 IIBD COC(=O)c1ccc([C@H](OC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C(F)(F)F)cc1 779361149 JKBONDVYXCWOKA-AWEZNQCLSA-N 449.284 4.443 5 20 IIBD Cn1cc(-c2nc([C@@H]3CCCCCN3C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)no2)cn1 779837992 VDENGGNXYDTVLA-HNNXBMFYSA-N 445.867 4.181 5 20 IIBD COc1cc(COC(=O)c2c(F)c(F)cc(F)c2F)c([N+](=O)[O-])cc1OCC(F)F 780066174 MUPLTCOHTJNSQL-UHFFFAOYSA-N 439.264 4.161 5 20 IIBD CC(C)(C)OC(=O)N(CCCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C1CC1 781905755 QOJYYPLTFLQCHV-UHFFFAOYSA-N 435.524 4.201 5 20 IIBD CC(C)c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1[N+](=O)[O-] 784258704 WUOIBVJMIMAJFJ-OAHLLOKOSA-N 439.468 4.029 5 20 IIBD CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 791143308 SNNSVZPSBYNDKL-SJLPKXTDSA-N 447.677 4.353 5 20 IIBD CCOC(=O)/C(=C\c1csc(COc2ccc(OC)cc2)n1)c1ccc([N+](=O)[O-])cn1 794948214 FJVSZOSVNVVTBR-ZDLGFXPLSA-N 441.465 4.138 5 20 IIBD Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)OCCn1c([N+](=O)[O-])cnc1C 797942110 MDQZHOPOJHXPFX-UHFFFAOYSA-N 425.228 4.227 5 20 IIBD C[C@H](OC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 801895036 DTYNAUXQHVBVLQ-VFZGTOFNSA-N 432.301 4.334 5 20 IIBD O=C(OCCn1ccc2cc(Cl)ccc21)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 806060041 WUBWYEBZVFMGHA-INIZCTEOSA-N 447.900 4.112 5 20 IIBD O=C(Nc1nccn1Cc1ccc(Br)cc1)c1cc(F)c(F)cc1[N+](=O)[O-] 809237744 MFTOELCTXNQOEG-UHFFFAOYSA-N 437.200 4.133 5 20 IIBD O=C(OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]1CCCCN1C(=O)c1ccco1 811082954 COSSDQFMDJYDGT-AWEZNQCLSA-N 427.240 4.233 5 20 IIBD COC(=O)c1ccc(Cl)c(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 811293029 YXROENSSEQEQMN-JTQLQIEISA-N 431.788 4.003 5 20 IIBD Cc1ccc([C@@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@H](C)S(C)(=O)=O)cc1 813237389 CDHOLHGOZBRCKQ-ZBEGNZNMSA-N 445.324 4.114 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 813809262 ROKUDKVVTPTLDX-IBGZPJMESA-N 444.532 4.058 5 20 IIBD C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](OC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1=O 816402006 BVHABHCBUUVYEY-ORAYPTAESA-N 426.400 4.389 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cn2c(Br)cnc2s1 816509023 BPNSWCZQVBXETH-UHFFFAOYSA-N 449.208 4.015 5 20 IIBD COc1cc(/C=C/C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)ccc1OCc1c(C)noc1C 819916634 OWCNNMYFVKDMTI-WEVVVXLNSA-N 438.440 4.021 5 20 IIBD CN1CCN(c2ccccc2NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 842907499 GEJHWUAQNZVZJJ-UHFFFAOYSA-N 431.496 4.343 5 20 IIBD CCOc1cc(/C=C2/N=C(c3ccc([N+](=O)[O-])c(C)c3)OC2=O)cc(Cl)c1OC(C)=O 912758457 KBAIWVMSFMQOQB-CXUHLZMHSA-N 444.827 4.225 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N(C)[C@@H](C)c2ccco2)cc1 914495867 JFVGWSDNGGLTCV-HNNXBMFYSA-N 444.465 4.097 5 20 IIBD CC(C)[C@H](OC(=O)COc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)ccc1Cl 915387258 BAPFYFATWVTONU-SFHVURJKSA-N 441.267 4.487 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NCc2ccccc2CN2CCC[C@@H](C)C2)c1[N+](=O)[O-] 917073032 ZYBRXBXMLDQCMP-OAHLLOKOSA-N 428.489 4.148 5 20 IIBD COc1ccc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1 919686112 AXTKNXYIXYFVPK-CYBMUJFWSA-N 437.412 4.332 5 20 IIBD Cc1sc(NC(=O)c2cnn(C)c2-n2c(C)ccc2C)nc1-c1cccc([N+](=O)[O-])c1 920004458 LSFLVOMNEACGMH-UHFFFAOYSA-N 436.497 4.420 5 20 IIBD O=C(Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-])c1cc([N+](=O)[O-])ccc1N1CCOCC1 920329233 CTHGJQMCSLQFIK-UHFFFAOYSA-N 449.419 4.226 5 20 IIBD CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 920819148 LEDFYYBMCXZHOO-LLVKDONJSA-N 440.283 4.446 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2nc3ccccc3o2)CC1 1116409667 ABRYNZCBIHBQLD-UHFFFAOYSA-N 441.509 4.494 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc(Cc2nnc(COc3ccccc3[N+](=O)[O-])o2)c1 1326136568 KTKRXFZBVASNIF-UHFFFAOYSA-N 426.429 4.495 5 20 IIBD C[C@H](Oc1cccc(Cl)c1)c1nnc(CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)o1 1328517182 VAFXPWWRAHESFO-LBPRGKRZSA-N 444.831 4.312 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(CN3CCCC3)c2)c(C(F)(F)F)c1 1343145727 BXHSROUVLQMDEC-UHFFFAOYSA-N 429.420 4.010 5 20 IIBD Cc1ncccc1CCC(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1 1786742946 DOBUAYQSSWHTSS-UHFFFAOYSA-N 448.479 4.272 5 20 IIBD Cc1scc(C(=O)NC2(c3ccc(NC(=O)c4nc[nH]c4[N+](=O)[O-])cc3)CCC2)c1C 1788611798 QUGCHAOCFDREHV-UHFFFAOYSA-N 439.497 4.058 5 20 IIBD CC(=O)NC1(c2ccc(NC(=O)c3cc(Br)ccc3[N+](=O)[O-])cc2)CCC1 1790663937 NEOFBKWNOSWFSD-UHFFFAOYSA-N 432.274 4.125 5 20 IIBD Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(O)cc([N+](=O)[O-])c4)cc3)CCC2)nc1 1790754782 CNXMFQXTSNBNEW-UHFFFAOYSA-N 446.463 4.065 5 20 IIBD Cc1ccc2cc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3ccc([N+](=O)[O-])o3)C4)sc2c1 1801081868 FBPPIRAMXBQIMP-MUJYYYPQSA-N 439.493 4.277 5 20 IIBD Cc1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)CC(C)(C)C)[nH]n2)cc1[N+](=O)[O-] 1820918721 FHUZTSVYUXZNKV-GOSISDBHSA-N 441.532 4.297 5 20 IIBD C/C=C/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])n[nH]1 1823503744 SMTHVFWKQRQCSW-LVWGAOMQSA-N 435.484 4.156 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1C1CCN(C(=O)C2(F)CCC2)CC1 1824843675 RUEZFQJZAOALBB-OAQYLSRUSA-N 445.535 4.039 5 20 IIBD C[C@@H](C(=O)N1CCCC12CN(C(=O)C1(c3cccc([N+](=O)[O-])c3)CCC1)C2)c1ccccc1 1847051504 DGLNEWKLYVQKBG-LJQANCHMSA-N 447.535 4.024 5 20 IIBD Cc1c(Cl)cccc1C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 1847057057 DNSXXWJJRUVFPX-ZHACJKMWSA-N 439.899 4.087 5 20 IIBD CC(C)COc1ccc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 9535810 JVTRNQTZZDGAJB-UHFFFAOYSA-N 440.374 4.444 5 20 IIBD O=C(COC(=O)c1cccc(Br)c1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 10630152 DMSZTMVPIYMKAR-UHFFFAOYSA-N 447.163 4.172 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 10647017 RXWBUMRVAWGZGM-JTQLQIEISA-N 433.392 4.181 5 20 IIBD CCOc1ccccc1NC(=O)[C@@H](C)OC(=O)Cn1c2ccccc2c(=O)c2ccccc21 10723339 RQEOHUSJKXDNRD-QGZVFWFLSA-N 444.487 4.124 5 20 IIBD CCOc1ccc(C(=O)OCC(=O)Nc2ccc(N3CCCCCC3)cc2)cc1[N+](=O)[O-] 19389382 OQEHPGRZYKNVCU-UHFFFAOYSA-N 441.484 4.169 5 20 IIBD COc1ccc(-c2nc(C)c(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)s2)cc1 19618747 KYJWAGOGOPVTNO-UHFFFAOYSA-N 441.465 4.139 5 20 IIBD Cc1nc(CSc2ccc(C(=O)NCCNc3ccccc3[N+](=O)[O-])cc2)cs1 23444796 XVZWKDNDODYIKO-UHFFFAOYSA-N 428.539 4.494 5 20 IIBD C[C@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)Nc1ccccc1Cc1ccccc1 26581675 WOLOKNGKZALKDF-HNNXBMFYSA-N 448.431 4.098 5 20 IIBD CCOc1cc(C(=O)Nc2nc(CN3CCCCCC3)cs2)c([N+](=O)[O-])cc1OC 29637406 QRAVAXWQMUJYOD-UHFFFAOYSA-N 434.518 4.087 5 20 IIBD Cc1cc(C)cc(N(C)C(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 64301745 RPBHLBXZGYEGAO-UHFFFAOYSA-N 439.493 4.289 5 20 IIBD COc1cc([C@H](C)NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)ccc1OCC(C)C 107791828 ULTGXHFRTYOAJY-INIZCTEOSA-N 438.484 4.315 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 116650103 PITOSJFLYVXCTJ-AWEZNQCLSA-N 442.859 4.327 5 20 IIBD C[C@H](OC(=O)/C=C\c1cccs1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 206699898 ZSLPDYMYPCXIHV-KRZKBDHCSA-N 429.479 4.363 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNCCc2cn3ccccc3n2)cc1 238011095 UCNPCAZPSBQSIC-UHFFFAOYSA-N 438.491 4.428 5 20 IIBD Cn1ccnc1C(=O)c1ccc(Sc2nnc(-c3ccc(Cl)cc3)[nH]2)c([N+](=O)[O-])c1 301278743 SRBFNVVANVCEST-UHFFFAOYSA-N 440.872 4.149 5 20 IIBD O=[N+]([O-])c1cnc(N2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn34)C2)c(Cl)c1 301297915 YWGSMAHTRIOTQI-SNVBAGLBSA-N 426.786 4.089 5 20 IIBD O=C1CCCN1C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1cccc(C(F)(F)F)c1 301401616 CKBRIWQGYHYGJY-HNNXBMFYSA-N 428.798 4.438 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N[C@@H](c2cccc(F)c2)c2ccccn2)c([N+](=O)[O-])c1 301871113 HHFBEUQJLUFTBZ-NRFANRHFSA-N 431.427 4.295 5 20 IIBD CCOc1ccc(CCNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OCC 409516859 IYMIQLNZTNAQGH-UHFFFAOYSA-N 426.391 4.384 5 20 IIBD C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 426259396 YBNSSZDGNWYJOV-CYBMUJFWSA-N 448.405 4.097 5 20 IIBD C[C@@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1nc(C(F)(F)F)cs1 426901506 TXHQTSVBKPIOMB-LLVKDONJSA-N 444.435 4.384 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)N1c2ccccc2CC[C@H]1C(=O)Nc1ccccc1 427602323 OZIHTUNHZHPCIF-NRFANRHFSA-N 431.448 4.204 5 20 IIBD O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N(C[C@H]1CCCO1)c1ccc(Br)cc1 434757521 GSWGEFAPBQYMRN-OAHLLOKOSA-N 445.273 4.059 5 20 IIBD COc1cccc([C@@H]2[C@H](c3nc(Cc4cccc([N+](=O)[O-])c4C)no3)CC(=O)N2C2CC2)c1 445230441 IWTMDOSJBPRCPD-AUSIDOKSSA-N 448.479 4.105 5 20 IIBD CCOC(=O)[C@@H]1CCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])c2ccccc21 446250169 VKIFVGDZRYHVAP-CQSZACIVSA-N 430.482 4.023 5 20 IIBD CCN(c1ccccc1)c1ccc(CNC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 461425186 CPXVOSKQDOXOLG-GOSISDBHSA-N 446.507 4.188 5 20 IIBD O=C(CNc1cc(Br)cc(C(F)(F)F)c1)N1CCc2ccc([N+](=O)[O-])cc21 462176428 MIFJGJYUPKHGSH-UHFFFAOYSA-N 444.207 4.377 5 20 IIBD Cc1ccnc(Oc2cc(NCC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)ccc2C)c1 462186587 JNRLGFVPTVDAQO-UHFFFAOYSA-N 436.424 4.178 5 20 IIBD Cc1ccc([C@@H]2OCCC[C@H]2CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])cc1 463063525 HLMDSJWGQDRTQB-CVDCTZTESA-N 434.496 4.448 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCN(C(=O)c2cc3occc3s2)CC1 463959211 SRENCTRBPXDAPW-UHFFFAOYSA-N 428.470 4.009 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N(CCCOc2ccccc2)C2CCOCC2)c1 464178814 FGPZHXVIKUWHRH-UHFFFAOYSA-N 430.526 4.407 5 20 IIBD O=C(Nc1ccc2cccc(Br)c2n1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 465067672 VGLNOTXUPVBFHO-UHFFFAOYSA-N 438.241 4.344 5 20 IIBD O=C(C[C@@H]1CCCCCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 467066392 UMDKEQNPHNZRPV-AWEZNQCLSA-N 426.878 4.048 5 20 IIBD CC[C@@H](Nc1ccc(C(=O)c2ccccc2C(=O)OC)cc1[N+](=O)[O-])C1CCOCC1 470870596 ZNHKYMLUZZLQKH-LJQANCHMSA-N 426.469 4.230 5 20 IIBD CC(C)Sc1ccccc1NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 473849731 XWSFTVGDWDAJDY-UHFFFAOYSA-N 434.543 4.147 5 20 IIBD CN(Cc1ccc(OCC(=O)O)cc1)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 478846808 WUJUIDIQTURCKC-UHFFFAOYSA-N 435.436 4.074 5 20 IIBD COc1cc(CCNC(=O)c2c(-c3cccc(Cl)c3)noc2C)c([N+](=O)[O-])cc1OC 479348070 MKAMDZHRKIIMMR-UHFFFAOYSA-N 445.859 4.201 5 20 IIBD Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(N[C@H](C)c4ccccn4)c([N+](=O)[O-])c3)n2)o1 479472633 TZFQWNCVWKXLLQ-CYBMUJFWSA-N 433.428 4.102 5 20 IIBD CCn1nc(C)c([N+](=O)[O-])c1Nc1ccc2c(c1)N(C(=O)Cc1cccc(OC)c1)CC2 479993121 OGOWJLYMFKNROJ-UHFFFAOYSA-N 435.484 4.004 5 20 IIBD Cc1c(CNC(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cccc1[N+](=O)[O-] 480059306 UCELBXMEZKPCTR-CYBMUJFWSA-N 428.436 4.468 5 20 IIBD Cc1cccc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)c1[N+](=O)[O-] 481355493 SJMNDPJQRAAEGL-UHFFFAOYSA-N 447.419 4.235 5 20 IIBD Cc1nc2cc(Cl)c(NC(=O)c3nnn(-c4cccc([N+](=O)[O-])c4)c3C)cc2s1 484706418 WSMBWFOWWYPMNX-UHFFFAOYSA-N 428.861 4.308 5 20 IIBD COC(=O)c1cc(NCC(=O)N[C@H](c2ccccc2)c2cccs2)c(C)c([N+](=O)[O-])c1 486212177 GOWCIJWRUGNBCW-OAQYLSRUSA-N 439.493 4.069 5 20 IIBD CSc1cccc(C(=O)N2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)c1[N+](=O)[O-] 486425108 PPAWREFRGCBEIC-OAHLLOKOSA-N 439.493 4.098 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)c(C)c([N+](=O)[O-])c1 486863763 DOLXZPUDDNYUTL-INIZCTEOSA-N 431.420 4.253 5 20 IIBD COc1cc2c(c(OC)c1OC)CCN(c1ccc([N+](=O)[O-])c(OC(C)(C)C)c1)CC2 487075590 OULQXDNXOCOFQU-UHFFFAOYSA-N 430.501 4.403 5 20 IIBD COCC[C@@]1(NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CCOC1 487501457 KWBCSMXBUVUNIU-HXUWFJFHSA-N 436.917 4.325 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CCC[C@H](c2ccccc2)CC1 488821500 IOWHOLKLFCSIMH-HNNXBMFYSA-N 439.331 4.316 5 20 IIBD COC(=O)CCSc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 489730084 AYOPAVNTVKWWQH-UHFFFAOYSA-N 426.397 4.104 5 20 IIBD COCCN(Cc1cc(Br)cs1)C(=O)Nc1ccc([N+](=O)[O-])cc1OC 494583805 SWCWUEFJJNVKNK-UHFFFAOYSA-N 444.307 4.108 5 20 IIBD Cc1cccc(Nc2nnc(Sc3cccc(S(C)(=O)=O)c3[N+](=O)[O-])s2)c1C 497538248 IXAYTYUUOKHIBK-UHFFFAOYSA-N 436.540 4.361 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 500194460 WMMFBSCKAXFXOK-INIZCTEOSA-N 429.542 4.389 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOC[C@@H]1c1nc2ccccc2s1 500687991 YYBKMMPMTIMXMJ-VQIMIIECSA-N 425.510 4.373 5 20 IIBD CCN(C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 500922334 GWODJHLSQYIXGE-UHFFFAOYSA-N 441.406 4.486 5 20 IIBD CSc1ccc(C(=O)NCc2ccc(N3CCc4ccccc4C3)nc2)cc1[N+](=O)[O-] 501408987 VHGYLUQLAZRSSA-UHFFFAOYSA-N 434.521 4.204 5 20 IIBD O=C(CC1CCCC1)NCCNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 506592438 ULYBOLHCJCTSKH-UHFFFAOYSA-N 445.903 4.467 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 507937009 NVEOFEYTSMLDQD-GFCCVEGCSA-N 426.775 4.359 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N1CCC[C@H]1c1cccs1 508781277 XQUODXMWBSRZNM-ZDUSSCGKSA-N 428.251 4.238 5 20 IIBD C[C@H](Nc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-])c1c(F)cccc1F 510125267 OYBBFTMTEXRCNN-ZDUSSCGKSA-N 425.457 4.221 5 20 IIBD CO[C@@H](C)c1nc(=NC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)s[nH]1 511106303 OLUBCHBCKGHJLK-LBPRGKRZSA-N 430.511 4.288 5 20 IIBD COc1ccc([C@H](NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c2ccc(F)cc2)cc1 512014277 JLTLPQWVWASHJO-OAQYLSRUSA-N 430.457 4.119 5 20 IIBD Cc1ccc(-c2nc(NC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)sc2C)s1 513405680 XERBJBQLEPTIIO-UHFFFAOYSA-N 437.524 4.052 5 20 IIBD COc1ccccc1CN(Cc1cccs1)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] 514136856 VBVCAPVAWLMFFY-UHFFFAOYSA-N 432.523 4.364 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2c(C)cnn2[C@H]2CCCc3ccccc32)cc1C 518586189 KRULAOSOOGOERR-IBGZPJMESA-N 440.525 4.443 5 20 IIBD CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 518617779 IGNJGZJWZHDVFO-UHFFFAOYSA-N 444.431 4.068 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 519201984 PFJOSVDCJBNAOK-UHFFFAOYSA-N 439.493 4.235 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccc(Cl)cc1 520138322 WODIOEKTIMNKRO-ZDUSSCGKSA-N 442.946 4.122 5 20 IIBD O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 522641356 CCYOLJDPUIMAML-UHFFFAOYSA-N 432.480 4.423 5 20 IIBD COc1cc(C(=O)Nc2ccc(-c3cn4ccc(C)cc4n3)cc2)cc([N+](=O)[O-])c1OC 525530530 OMCQULRSXHPLEM-UHFFFAOYSA-N 432.436 4.487 5 20 IIBD Cc1cc(Cl)cc(NC(=O)c2ccc([N+](=O)[O-])cc2I)c1O 530874917 VINABFAPSJBFFQ-UHFFFAOYSA-N 432.601 4.119 5 20 IIBD CCOc1cc(CNc2ccccn2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 532313416 JGFGYZMITRCZJP-UHFFFAOYSA-N 437.452 4.446 5 20 IIBD CCc1nc(-c2ccccc2NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n[nH]1 533749849 IJMBDEMZVXOTBZ-UHFFFAOYSA-N 448.405 4.402 5 20 IIBD Cc1cccc(C)c1NC(=O)[C@@H](C)[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534062697 XRONLKFPSSYEKD-DHMKHTPVSA-N 427.482 4.143 5 20 IIBD CCOc1cc(NC(=O)c2cnn(CC(C)C)c2C(F)F)c([N+](=O)[O-])cc1OCC 535475237 LJDBXZYUCBYPNE-UHFFFAOYSA-N 426.420 4.435 5 20 IIBD COc1ccc(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)c2cccnc12 535734838 MQUZBVNYBWGYDH-UHFFFAOYSA-N 449.204 4.009 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCc2ccnc(SC)c2)c([N+](=O)[O-])c1 536658159 RDKVNLOFGDEKAC-UHFFFAOYSA-N 437.477 4.341 5 20 IIBD O=C(CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])Nc1cccc2ccccc12 539930279 BQRARQJIDIYXMO-UHFFFAOYSA-N 426.432 4.179 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 540696584 PCEJDWQGBIMYBI-UHFFFAOYSA-N 430.829 4.252 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(N3CCCN(C)CC3)nc2)no1 545652323 ICSYEWWXKCMKPZ-HNNXBMFYSA-N 440.529 4.035 5 20 IIBD COc1ccc(Cc2noc(-c3cc([N+](=O)[O-])ccc3C)n2)c(Br)c1OC 545671734 HAQBDEGFXCGFSC-UHFFFAOYSA-N 434.246 4.324 5 20 IIBD O=C(c1ccccc1)c1ccc(OCc2nc(CCNc3ccccc3[N+](=O)[O-])no2)cc1 547086397 CMPWRLZANNYVNH-UHFFFAOYSA-N 444.447 4.442 5 20 IIBD Cc1cc(C)cc(-n2ncc3c(=O)n(Cc4cc([N+](=O)[O-])ccc4C(F)(F)F)cnc32)c1 549341120 OPLCKRWVPKMKLI-UHFFFAOYSA-N 443.385 4.174 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(OC)sc2c1 552221399 FKJVIWOQYZIFND-UHFFFAOYSA-N 447.494 4.121 5 20 IIBD COc1cc(CN2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c([N+](=O)[O-])cc1OC 552223358 QVDOJNFEEHORMH-LJQANCHMSA-N 427.284 4.492 5 20 IIBD COc1ccc([C@H]2OCC[C@@H]2NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cn1 552529740 BFXIRLVVEIZOMK-SIKLNZKXSA-N 434.452 4.002 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@@H](C)[C@@H]3OCCc4sccc43)cc2[N+](=O)[O-])CC1 554208955 QVXVMKNSPLWQLG-BTYIYWSLSA-N 429.542 4.325 5 20 IIBD CCOC(=O)c1cc(COC)cc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 561498202 QAIRDJUJFYMPLD-UHFFFAOYSA-N 441.465 4.294 5 20 IIBD CC(C)[C@H](c1ccc(F)cc1)N(C)C(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 563558329 MBAIAYORBYJZKA-OAQYLSRUSA-N 429.492 4.029 5 20 IIBD CCOc1ccccc1[C@@H](CC)NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 573512079 MWIFPMQLGNHXLE-GOSISDBHSA-N 427.501 4.497 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 576927402 JHTMMRQOLVCMRS-ZWKOTPCHSA-N 444.329 4.246 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 579524446 BVIONASNIOPFGW-DZGCQCFKSA-N 440.378 4.216 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCCN2c3ccccc3C[C@@H]2C1 580384722 FQRMBOFVLUTFGA-JOCHJYFZSA-N 442.519 4.484 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 581849418 QLXILKMXOOEKEE-IBGZPJMESA-N 449.385 4.048 5 20 IIBD CC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccc(OC)c(OC)c1 582187325 OLZQEFRHJXAVJJ-MRXNPFEDSA-N 437.290 4.185 5 20 IIBD O=C(NCc1cnc(-c2ccc(Cl)cc2)s1)N1CCOc2ccc([N+](=O)[O-])cc2C1 584026543 QSXNKVBWJFKUGA-UHFFFAOYSA-N 444.900 4.476 5 20 IIBD CCOc1ccc(CN(C(=O)Cn2cc([N+](=O)[O-])cn2)c2ccc(OC)c(Cl)c2)cc1 603486434 NLUSRXBJDLQWKS-UHFFFAOYSA-N 444.875 4.085 5 20 IIBD CN(Cc1ccccc1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C1CCCCC1 604193382 OHVUQKUOYXXALV-UHFFFAOYSA-N 439.512 4.061 5 20 IIBD Cc1ccc(NC(=O)[C@H]2CCc3ccccc3N2C(=O)COc2ccccc2[N+](=O)[O-])cc1 608895386 SWWGKTNLRIPFLP-JOCHJYFZSA-N 445.475 4.269 5 20 IIBD O=C(Nc1ccnn1Cc1ccc(Br)cc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 608963763 XPMIVKGCYNBOJJ-UHFFFAOYSA-N 440.257 4.336 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)c(Cl)c1 609405631 GIMXWBXPMJFFHC-UHFFFAOYSA-N 432.889 4.249 5 20 IIBD CCOC(=O)c1cc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])ccc1Cl 609725280 UYEWLNRFSRNOKF-UHFFFAOYSA-N 427.240 4.486 5 20 IIBD Cc1csc(Sc2ccc(NC(=O)C(=O)NCc3cccc([N+](=O)[O-])c3)c(C)c2)n1 609942901 NVPUXPMVMPMNLI-UHFFFAOYSA-N 442.522 4.074 5 20 IIBD CC(C)(C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 610060996 ZALLGBPPDZBEKX-UHFFFAOYSA-N 439.493 4.312 5 20 IIBD Cc1c(Cl)cccc1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1Br 610062975 MPYXGEYVLJQRDT-UHFFFAOYSA-N 440.681 4.078 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@@H]1c1nc(C(C)(C)C)cs1 610301573 MNIZDOCKHSNWTQ-RHSMWYFYSA-N 444.557 4.221 5 20 IIBD CCOC(=O)C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(OC)c1 610387862 UOVFDDJFLDWCSA-MRXNPFEDSA-N 440.374 4.047 5 20 IIBD COc1cc(CNCc2ccc([S@@](C)=O)cc2)c([N+](=O)[O-])cc1OCc1ccccc1 610574708 AOHIGEBSCDIOPL-WJOKGBTCSA-N 440.521 4.210 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCc2c(F)cc(Br)cc2C1 610728096 VUBRUUPRCVGZPB-UHFFFAOYSA-N 436.281 4.273 5 20 IIBD CS(=O)(=O)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611206680 NKFWUQYVZBEDJO-UHFFFAOYSA-N 448.566 4.104 5 20 IIBD COc1cc(CN2CCCC[C@H]2c2noc(C3CC3)n2)c([N+](=O)[O-])cc1OCC(F)F 611518184 VUEKMEUDPVKHMB-AWEZNQCLSA-N 438.431 4.235 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 614547260 YTMHYTKZOVKKLR-DEOSSOPVSA-N 445.500 4.482 5 20 IIBD COc1ccccc1OCCCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 681987579 WYXPSPQWQBTZDQ-UHFFFAOYSA-N 438.430 4.167 5 20 IIBD O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 726538864 XCDCVOXDAKMCOI-CYBMUJFWSA-N 430.823 4.457 5 20 IIBD Cc1c(C(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 727396643 IZYMSQKGCSWITM-KRWDZBQOSA-N 437.811 4.126 5 20 IIBD CC(C)CNC(=O)c1cccc(COC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 727516972 XWHPIHZZVCCMGP-UHFFFAOYSA-N 439.493 4.461 5 20 IIBD COc1ccc(CC(=O)O[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 727883467 NVKQZWJPPYWCIF-SNVBAGLBSA-N 427.240 4.023 5 20 IIBD CC(C)(C)OC(=O)N1CCC(N(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C2CC2)CC1 728900475 JTZDGHATVMVGEU-UHFFFAOYSA-N 441.532 4.280 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)[C@H]1CCCN1c1ncnc2sccc12 729118675 BSFQGANQLKJKDG-QGZVFWFLSA-N 442.497 4.099 5 20 IIBD Cn1cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])c(-c2ccccc2Cl)n1 731261741 SMPMUWQUGVXJEV-UHFFFAOYSA-N 449.250 4.098 5 20 IIBD CS(=O)(=O)c1cc(C(=O)O[C@H](c2cncc(F)c2)C2CCCCC2)cc([N+](=O)[O-])c1 731776378 YITFLDRTHGPBMB-IBGZPJMESA-N 436.461 4.011 5 20 IIBD CCOC(=O)[C@@H](C)NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 733137545 IDDSOIAWNGHLPP-LLVKDONJSA-N 442.415 4.446 5 20 IIBD O=C(c1ccccc1[N+](=O)[O-])N1CCCN(C(=O)c2ccccc2[N+](=O)[O-])c2ccccc21 736416035 KFYPUMUQWCNVJA-UHFFFAOYSA-N 446.419 4.200 5 20 IIBD CC[C@@H](CC(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccc(C)cc1 738689752 NPVVJAXNTAWWEB-INIZCTEOSA-N 442.468 4.130 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2cc(F)cc(N)c2F)c2ccccc2)c([N+](=O)[O-])c1 738727067 XWHZDUKACJLHEC-HXUWFJFHSA-N 441.390 4.300 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(Cl)c1 740816639 KUISXFDVYOKZSB-SFHVURJKSA-N 433.892 4.473 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H](O)c2c(F)cccc2F)cc1 740934287 XSSNCAMYGRUGPP-LJQANCHMSA-N 444.390 4.137 5 20 IIBD C[C@@H](Sc1n[nH]c(-c2cc(F)cc(F)c2)n1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 741855735 PBCQZPOGZQHBNY-MRVPVSSYSA-N 439.831 4.431 5 20 IIBD O=C(OCc1nc(Cc2ccc(F)cc2)no1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 744554070 KTMXJPMNJSONMG-UHFFFAOYSA-N 440.431 4.055 5 20 IIBD COc1ccc([C@H](C)Nc2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])cc1 746079664 SYEDSWIZHVDZQH-VIFPVBQESA-N 426.223 4.456 5 20 IIBD CC(C)[C@@H](NC(=O)COC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 747957758 TUJHTRPWGFNPOJ-HXUWFJFHSA-N 439.493 4.389 5 20 IIBD CCc1cccc(CC)c1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 748950334 KOOHKONWLXPTDP-AWEZNQCLSA-N 443.456 4.429 5 20 IIBD CC(C)(CCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 749316526 DMFLLYKJPDENBY-UHFFFAOYSA-N 436.371 4.165 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(Cl)c1[N+](=O)[O-] 749874743 WJPFIQZPESOLLX-UHFFFAOYSA-N 432.742 4.017 5 20 IIBD Cc1c(C(=O)NCc2cccc(NC(=O)c3cccc([N+](=O)[O-])c3C)c2)cccc1[N+](=O)[O-] 750838196 PXVLIDXXYVNJFO-UHFFFAOYSA-N 448.435 4.302 5 20 IIBD O=C(Nc1ccc(C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)cc1)OCC(F)(F)F 751668624 VOVKIMCNNMEWJV-UHFFFAOYSA-N 439.302 4.204 5 20 IIBD O=C(OCc1nc(-c2ccc(Br)s2)no1)c1c(F)ccc([N+](=O)[O-])c1F 752564174 XDAAPUOSZMUFBP-UHFFFAOYSA-N 446.185 4.104 5 20 IIBD C[C@H](OC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)c1ncc(-c2ccc(Cl)cc2Cl)o1 753392244 KMFAYWODUSLDGV-JTQLQIEISA-N 438.223 4.023 5 20 IIBD Cc1c(C(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 754717780 YYABDBHXMLBYKG-VQIMIIECSA-N 431.420 4.251 5 20 IIBD O=C(NCc1sccc1Br)c1cc(F)cc([N+](=O)[O-])c1Br 754994510 PTLHWJCHJFSKQA-UHFFFAOYSA-N 438.072 4.250 5 20 IIBD CC(C)(C)OC(=O)NCC1(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCCC1 756954487 UVAPNIOZGIPJBS-UHFFFAOYSA-N 447.532 4.050 5 20 IIBD CC[C@@H]1CN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@H]1NC(=O)OC(C)(C)C 757107082 INWBKHADFIFPNO-HDMKZQKVSA-N 445.520 4.331 5 20 IIBD Cc1cccc(Cl)c1NC(=O)COC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 757707286 XFQKWTZSLCKPCO-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1cc(Cl)c(Cl)cc1Cl 758087121 IBOTXZHZJAFXTK-UHFFFAOYSA-N 436.610 4.072 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)NC(=O)OC(C)(C)C 758336037 AVAGMZNJUCJVNC-QGZVFWFLSA-N 448.451 4.130 5 20 IIBD O=C(O[C@@H]1CCO[C@@H](C2CCOCC2)C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 763117153 DOVHRHYHDWCIJB-NFBKMPQASA-N 440.496 4.338 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)ccc1Br 765185896 RYVGKGJTMIYZTK-HNNXBMFYSA-N 447.257 4.161 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1Cc2ccc(Br)cc2C1 765206058 DJYFZPBVRMMMKW-JTQLQIEISA-N 425.666 4.320 5 20 IIBD O=C(O[C@H]1CCOC[C@H]1OCc1ccccc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 767013994 QGTPEWYIHXVTBT-VQTJNVASSA-N 440.477 4.249 5 20 IIBD C[S@@](=O)c1cccc(C(=O)O[C@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])c1 774376121 YUVDSQKAHOKYEH-AKJBCIBTSA-N 440.315 4.140 5 20 IIBD CC[C@@H](C)Oc1cc(C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)ccn1 776744001 OQEDFOYHNLUARG-OAHLLOKOSA-N 439.472 4.268 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(COC3CCCC3)cc2)cc1[N+](=O)[O-] 777634291 VLTQVXIRIFDIPT-UHFFFAOYSA-N 449.485 4.033 5 20 IIBD CN(C)C(=O)Sc1cccc(COC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 778890440 IBQDVQNNGGEGMG-UHFFFAOYSA-N 426.397 4.327 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)cc1[N+](=O)[O-] 780766218 CUYWQKCYNWXABH-UHFFFAOYSA-N 449.838 4.235 5 20 IIBD O=C(/C=C\SCc1ccco1)Oc1cc([N+](=O)[O-])ccc1I 781744811 JNPNIUCUJLSTSG-ALCCZGGFSA-N 431.207 4.145 5 20 IIBD O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)c1cccc([N+](=O)[O-])c1Br 782168670 BTUGLZGFNNJZIQ-ZDUSSCGKSA-N 438.347 4.061 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])c(F)c1)c1cnn(-c2ncccc2Cl)c1C(F)F 783565874 QWKFLRIVUPQDAH-UHFFFAOYSA-N 426.738 4.263 5 20 IIBD C/C(=C\C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 783862581 LZSBBTFQTQHZTJ-QZEGLACASA-N 441.440 4.106 5 20 IIBD COc1ccccc1NC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc([N+](=O)[O-])cc1Cl 783933471 NGHWWNPXKOERTE-GOSISDBHSA-N 446.916 4.031 5 20 IIBD COc1ccc(CCN(Cc2ccsc2)C(=O)c2cc([N+](=O)[O-])ccc2N)cc1OC 787114403 JOQULCRNAWHPRG-UHFFFAOYSA-N 441.509 4.141 5 20 IIBD CC(C)(C(=O)OCC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)c1ccccc1[N+](=O)[O-] 796438818 CPZMWNPFOFJSMK-UHFFFAOYSA-N 448.479 4.117 5 20 IIBD O=C(COC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccc(OC(F)F)c(Cl)c1 798130188 JKUNIBQCEVLUNQ-BAQGIRSFSA-N 426.759 4.045 5 20 IIBD CC(C)(C)OC(=O)N(CC1CC1)C1CCN(c2ncnc3sc([N+](=O)[O-])cc23)CC1 804537644 AERLJZGHOJPUMR-UHFFFAOYSA-N 433.534 4.215 5 20 IIBD COC(=O)[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccc(Cl)c(F)c1 813099997 JUMLRJXYZCUCMQ-ZDUSSCGKSA-N 435.622 4.338 5 20 IIBD CCSc1cccc(Br)c1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 813286160 UWIDHEYRGYFLPG-UHFFFAOYSA-N 435.303 4.458 5 20 IIBD CC(C)c1n[nH]c(COC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)n1 813899659 IERJBEDVCQMBKZ-UHFFFAOYSA-N 429.864 4.459 5 20 IIBD Nc1ccc(NC(=O)c2ccc(COc3ccc(Br)cc3)o2)cc1[N+](=O)[O-] 819905505 OIYOCJLVMCMPFA-UHFFFAOYSA-N 432.230 4.364 5 20 IIBD CCOC(=O)c1cc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c2ccccc2n1 821645560 DSJXEUZEEVGANG-UHFFFAOYSA-N 448.479 4.175 5 20 IIBD Cc1cc(NC(=O)[C@@H](C)OC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)ccc1Br 822393293 GMEDXQIKGVDUKC-OMPYUXFZSA-N 433.258 4.249 5 20 IIBD Cc1cc([N+](=O)[O-])nn1Cc1cccc(-c2nc(-c3ccc(N4CCCCC4)nc3)no2)c1 904430967 VIOUVFOQGGVWSC-UHFFFAOYSA-N 445.483 4.250 5 20 IIBD C[C@@H](OC(=O)COc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 914801009 PGSSZLCHYJUFJU-SNVBAGLBSA-N 446.765 4.216 5 20 IIBD O=C(COC(=O)/C=C\c1ccccc1OC(F)(F)F)Nc1ccc(Cl)cc1[N+](=O)[O-] 914939958 BSFPQDSQBBARTF-YVMONPNESA-N 444.749 4.342 5 20 IIBD C[C@H](OC(=O)[C@@H](C)Oc1ccc2c(c1)CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 915485983 RUICKIJPSDZZBQ-QWHCGFSZSA-N 432.860 4.075 5 20 IIBD CN(C(=O)CCc1ccc2ccccc2c1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 917428304 FZSCHKUAAWMDIQ-UHFFFAOYSA-N 432.885 4.181 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccco2)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 918166951 SBJFEGCCGJDLAR-UHFFFAOYSA-N 437.817 4.145 5 20 IIBD C[C@H](NC(=O)c1ccccc1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1 918399154 MCUVIZRGZUEALA-AWEZNQCLSA-N 443.456 4.026 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)CSc1ccccc1)c1cccc([N+](=O)[O-])c1 920455755 UVPUSGDKONPINS-SFHVURJKSA-N 428.510 4.315 5 20 IIBD C[C@H](Nc1ccc(C(=O)OCc2nc(C(C)(C)C)no2)cc1[N+](=O)[O-])c1ccccn1 920543708 IBMPOUQJXNJWFI-ZDUSSCGKSA-N 425.445 4.200 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@H](C)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 920907383 XSBMGSYNKBONOF-MRVPVSSYSA-N 449.678 4.020 5 20 IIBD O=C(C1c2ccccc2Oc2ccccc21)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1318100089 ZRLNOLJSFJZNJE-UHFFFAOYSA-N 429.476 4.177 5 20 IIBD O=C([C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1322063559 ROSUEGMANYTTQX-PMACEKPBSA-N 434.323 4.350 5 20 IIBD Cc1cc(NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)n(-c2ccc(C(F)(F)F)cn2)n1 1322123002 KRQDCCPLGUYRGS-UHFFFAOYSA-N 432.362 4.050 5 20 IIBD O=C(c1ccccc1OC(F)F)N1CCC[C@@H](c2nnc(-c3cccc([N+](=O)[O-])c3)o2)C1 1329039461 PVOWCBQTMCCKSU-CQSZACIVSA-N 444.394 4.266 5 20 IIBD COc1ccc(CC(=O)NCCSc2ncc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-] 1514749848 QURRFXRUFWGDOD-UHFFFAOYSA-N 449.838 4.122 5 20 IIBD CC1=C(C(=O)NC2(c3ccc(NC(=O)c4cccc(F)c4[N+](=O)[O-])cc3)CCC2)CCO1 1790699087 WLTAIPFCTQRNBD-UHFFFAOYSA-N 439.443 4.176 5 20 IIBD COc1cc(C)ccc1C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1 1792100554 PNULPMGDUMZWIO-UHFFFAOYSA-N 448.479 4.301 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2cccc([N+](=O)[O-])c2)CCC1)[C@H]1CC=CCC1 1800040239 AYHPLQFRLHQANH-WJMWBRGCSA-N 437.540 4.011 5 20 IIBD CC(C)=CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)[nH]n1 1820804124 NMKCBTABGCFBGH-IBGZPJMESA-N 441.488 4.076 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(C)CC2)CC1 1830730102 YAGDNIOHNRDWOW-IBGZPJMESA-N 431.508 4.076 5 20 IIBD CC(C)N(C(=O)[C@H](C)OC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C(C)C 7196519 MDELGQWRUIIVIO-KRWDZBQOSA-N 427.501 4.398 5 20 IIBD COc1ccc([C@H](CNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)N2CCCCC2)cc1 10050828 LMJGSGICJJSRSU-FQEVSTJZSA-N 429.542 4.282 5 20 IIBD O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 10733594 VYUAGSFHKFKJOG-UHFFFAOYSA-N 428.832 4.255 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@@H](c3ccccc3)c3nccn3C)cc2[N+](=O)[O-])CC1 16470848 BPCOONNZJGIUKM-QFIPXVFZSA-N 433.512 4.084 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)CSc1ccc([N+](=O)[O-])cc1 16720218 OKQZLMWKCXNECX-LBPRGKRZSA-N 438.889 4.228 5 20 IIBD C[C@H](OC(=O)CSc1nc2ccccc2o1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 17722630 CXUZFYWKDACROW-NSHDSACASA-N 426.410 4.183 5 20 IIBD COc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c2c[nH]c3ccccc23)cc1 18074812 IFZXBAPKHKPSTI-LJQANCHMSA-N 431.448 4.352 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)N[C@@H](c1ccccc1)c1cccs1 18172463 LGAONLCYWBSFJP-IBGZPJMESA-N 430.869 4.372 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1ccc(CO)cc1 23646474 WDFNXLGNPFSVRM-FQEVSTJZSA-N 440.839 4.277 5 20 IIBD C[C@H](OC(=O)c1cc2c(OC(F)F)cccc2[nH]1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 25657901 IIXYGJZJRVLGFB-VIFPVBQESA-N 437.330 4.001 5 20 IIBD CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 26909349 DTTZGBQEXPSBPT-UHFFFAOYSA-N 431.659 4.370 5 20 IIBD O=C(Nc1ccc(Oc2nc3sccn3c2[N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 29164324 IOQMRRJVLHUEOT-UHFFFAOYSA-N 425.382 4.257 5 20 IIBD C[C@H]1C[C@@H]1c1ccc(CN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C2CC2)o1 31740138 NSIVOZXZEYGORL-KSSFIOAISA-N 439.468 4.191 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCc2ccc(Oc3cccc(F)c3)nc2)c1C 109846278 JUILJEGQPGWZHA-UHFFFAOYSA-N 431.445 4.017 5 20 IIBD C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 111040716 YUIFKYHTVWJJTO-OAHLLOKOSA-N 425.464 4.016 5 20 IIBD O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H](c2ccccc2Cl)N2CCOCC2)c1 237821942 WQQARXDRABRQHC-GOSISDBHSA-N 441.862 4.013 5 20 IIBD O=[N+]([O-])c1cc(Br)cnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 301700094 RYRNBRXANZUEJL-CQSZACIVSA-N 443.095 4.093 5 20 IIBD COc1ccccc1CC(=O)N1CCC(Nc2ccc([N+](=O)[O-])cc2Br)CC1 301986368 MDXHLOUKZZEEPS-UHFFFAOYSA-N 448.317 4.012 5 20 IIBD CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 302173123 OHISETFYUCKYIY-UHFFFAOYSA-N 435.362 4.235 5 20 IIBD CCOC(=O)c1ccnc(N2CCC[C@H]2c2cc(F)cc(Br)c2)c1[N+](=O)[O-] 302231409 YPEUTZPNYYITLI-HNNXBMFYSA-N 438.253 4.410 5 20 IIBD CCC(CC)c1cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)on1 303893577 PCSWKCMHECDQDV-UHFFFAOYSA-N 440.422 4.468 5 20 IIBD CSc1cc2c(cc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)OCCO2 432687078 XWKKPLNVZGBIGJ-UHFFFAOYSA-N 425.260 4.103 5 20 IIBD C[C@@H](c1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1)N1CCOCC1 432687343 ZTNHVQWTYPPEEK-ZDUSSCGKSA-N 434.290 4.003 5 20 IIBD COC(=O)c1ccc(F)c(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1 435940978 ZXAVOWJMDRHOCT-UHFFFAOYSA-N 426.350 4.138 5 20 IIBD C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 436133223 LZSOMGKNZBKZNJ-AEFFLSMTSA-N 429.495 4.386 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N(CCc1ccccn1)Cc1ccncc1 438089367 VATZYJJWVNBOOP-UHFFFAOYSA-N 441.285 4.032 5 20 IIBD Cc1ccccc1-c1cc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)n[nH]1 438647013 MWNZTFMFHOOIHV-UHFFFAOYSA-N 430.414 4.910 5 20 IIBD CC(C)c1ccc(C(=O)N2CCN([C@H](C)c3nc(-c4ccccc4)no3)CC2)cc1[N+](=O)[O-] 439463761 PJSFZOCYAPMYDS-QGZVFWFLSA-N 449.511 4.287 5 20 IIBD CSc1ccc(-c2nsc(NC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)n2)cc1 440476227 GANCUNKAJHIVMI-UHFFFAOYSA-N 438.494 4.273 5 20 IIBD CO[C@H]1CCN(c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])[C@@H](C)C1 440649696 LVBPSKAJGOZGHN-IRXDYDNUSA-N 433.530 4.016 5 20 IIBD C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] 440872301 QLAARXNIYWRTQX-KRWDZBQOSA-N 441.553 4.071 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCC[C@@H](c2noc(C3CC3)n2)C1 444098034 DVTQXOGVJSOLBS-CQSZACIVSA-N 432.455 4.101 5 20 IIBD COC(=O)CC1(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CCCCC1 444326734 IEILDQSFDVHUME-UHFFFAOYSA-N 442.462 4.203 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(-c3ccc(S(=O)(=O)Cc4ccccc4)cc3)n2)s1 445472278 ODQZWWYISIEYBF-UHFFFAOYSA-N 427.463 4.347 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(COc3ccc(F)cc3Br)n2)c1 445576248 ITKKLGBAYPGDFE-UHFFFAOYSA-N 438.209 4.058 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CCN(c3cccc4cnccc34)C[C@@H]2C)cc1[N+](=O)[O-] 446206982 QSQSQXDSZUYULC-ZWKOTPCHSA-N 433.512 4.433 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N(C[C@@H]3CCOC3)C3CC3)n2CCc2ccccc2)c1 460431766 RJIONPNPFWEQJS-IBGZPJMESA-N 433.512 4.101 5 20 IIBD CCOc1cc(NC(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)c([N+](=O)[O-])cc1OCC 462252894 LUMBZOBUPAKMEZ-LPHOPBHVSA-N 429.473 4.434 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)c1ccc(Cl)c2ccccc12 462955832 FRHRYFPVFVPLRF-LBPRGKRZSA-N 427.844 4.226 5 20 IIBD COC(=O)CSCc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 463869081 GHVWYZFSNVVEJN-UHFFFAOYSA-N 428.388 4.272 5 20 IIBD CN(Cc1nccn1Cc1ccccc1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 464276804 SRUHIPZGCNSQJQ-UHFFFAOYSA-N 433.493 4.235 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 472752789 OKYSHUSOKZWLQJ-UHFFFAOYSA-N 428.919 4.405 5 20 IIBD C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 473528097 GWOQUJKGDTWJAG-YBKRRLQSSA-N 429.523 4.289 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1ccccc1CN1C[C@H](C)O[C@H](C)C1 475569826 QYBJLXUXJQEQBN-HDICACEKSA-N 426.517 4.143 5 20 IIBD CN(C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[C@@H](CC(N)=O)c1ccccc1 478220968 CGCUMIORLGFUKB-NRFANRHFSA-N 435.505 4.435 5 20 IIBD CCN1CCN(c2ccc(NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)c(C)c2)CC1 480125996 PPFDHWSHNADSED-UHFFFAOYSA-N 437.544 4.242 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N(CC(=O)Nc2ccc(F)cc2)C(C)(C)C)cc1OC 484283087 PHWGMWRYRHHAOM-UHFFFAOYSA-N 447.463 4.021 5 20 IIBD Cc1nc(-c2ccc(Br)cc2)c(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)n1C 486443780 HSRHPJFWDHIJOG-UHFFFAOYSA-N 431.246 4.024 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CN3C[C@H]4CCC[C@@]4(c4nc(CC5CC5)no4)C3)co2)cc1 486856871 XZUFZBICBRIISQ-UZUQRXQVSA-N 435.484 4.139 5 20 IIBD O=C(Nc1ccnn1Cc1ccc(Cl)c(F)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 487444143 LJDFSPLBIWMTGZ-UHFFFAOYSA-N 440.822 4.070 5 20 IIBD CC[C@@H](c1ccccc1)c1nnc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)s1 487466903 CECQEDDKCUWATG-HNNXBMFYSA-N 434.481 4.426 5 20 IIBD CC(C)(NC(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)c1ccccc1[N+](=O)[O-] 490390028 OJKSOBDAMMILAG-REWPJTCUSA-N 429.492 4.042 5 20 IIBD CCC(C)(C)OCc1cccc(NC(=O)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1C 490864905 PJUGYHUQZQQGHJ-MRXNPFEDSA-N 427.501 4.424 5 20 IIBD CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2c([N+](=O)[O-])cnc3ccc(Br)cc23)C1 496203094 JUMAQHCJPVTWAJ-KGLIPLIRSA-N 449.349 4.427 5 20 IIBD CS(=O)(=O)c1cccc(NC[C@H](c2c(F)cccc2Cl)N2CCCC2)c1[N+](=O)[O-] 497525080 QSHKNJVPNULKMV-MRXNPFEDSA-N 441.912 4.040 5 20 IIBD CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1 498140216 LEQPLWIQTWQNLR-UHFFFAOYSA-N 427.482 4.109 5 20 IIBD COC(=O)CCSCc1cccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1 498274654 CMERWLIAVAKIMW-UHFFFAOYSA-N 425.466 4.192 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC(CCCN2CCCC2)CC1 500878200 ZGQZPSXZFXZORM-UHFFFAOYSA-N 428.558 4.447 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N1CCC[C@@H](CO)C1 501774991 WBNDHVTZWCHCKJ-ZCWPUFOUSA-N 437.521 4.366 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(OCc2ccc(F)cc2)cc1 503609934 OJYONNXFRYEJNJ-HNNXBMFYSA-N 437.427 4.129 5 20 IIBD CC(C)c1[nH]nc(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)c1[N+](=O)[O-] 503775556 HOLKBXDUUDPZQB-UHFFFAOYSA-N 432.868 4.196 5 20 IIBD CCOc1ccccc1[C@@H](CC)NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 505900232 XKHUYQGLWFFJKQ-MRXNPFEDSA-N 441.513 4.154 5 20 IIBD COc1ccc(Nc2nnc(Sc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)s2)cc1 506811968 KINAEZKKVMAOEW-UHFFFAOYSA-N 429.483 4.234 5 20 IIBD C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 507602531 QSRQMLFPHDZMSG-PZJWPPBQSA-N 425.532 4.106 5 20 IIBD Cc1c(Br)cc(C(=O)N2C[C@@H]3CCCN3Cc3ccccc32)cc1[N+](=O)[O-] 510635484 RMEQNPTXXCJRDL-INIZCTEOSA-N 430.302 4.291 5 20 IIBD CN(CC(=O)Nc1ccc(Br)cn1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 514089697 RBRNKCUONJOSIV-UHFFFAOYSA-N 445.273 4.083 5 20 IIBD Cc1nc(NC(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)oc1C 519950529 VCLADQNWGKXGBC-UHFFFAOYSA-N 441.513 4.278 5 20 IIBD Cc1ccc(CCNC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 522563648 IHCCLEHYFOFXCL-UHFFFAOYSA-N 435.446 4.497 5 20 IIBD CCOc1cc(NC(=O)C(=O)Nc2ccc(OC(C)C)cc2C)c([N+](=O)[O-])cc1OCC 527110151 FGENGDCVDLQROP-UHFFFAOYSA-N 445.472 4.065 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC(C(=O)NCCc2cccs2)CC1 533343100 OWIYQKPDSLPCBH-UHFFFAOYSA-N 431.558 4.014 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 533501063 OHRZQERXQWGPRP-ZDUSSCGKSA-N 448.882 4.065 5 20 IIBD CN1CC[C@@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 534247684 BYSOGGHULLVEKS-SGTLLEGYSA-N 426.275 4.464 5 20 IIBD CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1ccccc1 534982197 LILDALRNDZLYCB-NRFANRHFSA-N 442.475 4.080 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cc(C(F)(F)F)ccc1-n1cccn1 535457393 XTWYOXNYEDRPAJ-UHFFFAOYSA-N 429.358 4.462 5 20 IIBD CNC(=O)c1ccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c(Cl)c1 536498807 ZYDLZOMKXFCYLY-KBPBESRZSA-N 444.919 4.342 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@H](c4n[nH]c(C5CCCCC5)n4)C3)o2)cc1 537562330 UENGZIJJGZSEPT-KRWDZBQOSA-N 437.504 4.190 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCc2c(ncn2CCc2ccccc2)C1 538314270 BUCAAZGCIMFYTP-UHFFFAOYSA-N 444.413 4.251 5 20 IIBD COc1cccc(Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)cc2)c1 538445113 DSCZUKPGWIMMHB-UHFFFAOYSA-N 449.463 4.485 5 20 IIBD CCS(=O)(=O)C[C@H](C)N(C)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 539826349 ORTJIHGLWTVMEQ-AWEZNQCLSA-N 426.922 4.296 5 20 IIBD COc1cc([C@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCCO3)ccc1[N+](=O)[O-] 539958388 SNFXOROXIKEQHB-QFIPXVFZSA-N 433.420 4.146 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCN3CCOc4cccc2c43)cc1[N+](=O)[O-])c1ccccn1 539991692 TUQOJBSZAZOCQD-MRXNPFEDSA-N 445.479 4.022 5 20 IIBD Cc1nc(CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)oc1-c1ccc(Cl)cc1 540289529 HDMRVQZDYCXGTC-UHFFFAOYSA-N 449.250 4.120 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC(=O)N(c2ccccc2Cl)C1 540391127 QUPIJSBQNAUAEJ-ZDUSSCGKSA-N 433.917 4.284 5 20 IIBD Cc1ccc2c(C3=CCN(C(=O)c4cccc([N+](=O)[O-])c4N4CCOCC4)CC3)c[nH]c2c1 540708663 SMXQQCBTTRVPSZ-UHFFFAOYSA-N 446.507 4.151 5 20 IIBD Cc1cc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)ccc1-n1nnnc1C(C)C 542274484 JIWJMJKLVJKGAR-CQSZACIVSA-N 426.502 4.122 5 20 IIBD Cc1nc([C@H]2CCCN(Cc3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)C2)n[nH]1 543621188 HJFHSLXZMWEOQB-IBGZPJMESA-N 443.511 4.254 5 20 IIBD COc1ccc(-c2nnc(SCc3nc(Cc4ccc([N+](=O)[O-])c(C)c4)no3)o2)cc1 545143290 OPQUIWRJRIMOSS-UHFFFAOYSA-N 439.453 4.228 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 545958134 FVYSVGFXVPXYLD-HNNXBMFYSA-N 431.876 4.138 5 20 IIBD Cc1sc2nc([C@H](C)Sc3nc4cc([N+](=O)[O-])ccc4c(=O)n3C)nc(O)c2c1C 546522237 DQWWBBGWJJWUOJ-JTQLQIEISA-N 443.510 4.022 5 20 IIBD O=[N+]([O-])c1ccccc1NCc1nc(Cc2c[nH]c3cccc(Br)c23)no1 547193470 AEMQFZFOBYOQGN-UHFFFAOYSA-N 428.246 4.425 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@@H](c3nccn3C)C3CC3)cc2[N+](=O)[O-])n1 553283339 UVIJRQPPVNEHSQ-MRXNPFEDSA-N 429.527 4.126 5 20 IIBD Cc1ccc(NC(=O)N(CCn2ccnc2)Cc2ccc(Br)o2)cc1[N+](=O)[O-] 554351597 CWNLBFATHUDZCS-UHFFFAOYSA-N 448.277 4.190 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N(CCc1ccccc1)Cc1cccnc1 568300928 SONAFKIENRNUKA-UHFFFAOYSA-N 427.464 4.061 5 20 IIBD O=[N+]([O-])c1ccc2nc(NCc3cccc(-c4nc(CC(F)(F)F)no4)c3)ccc2c1 569776201 VVUZTMUOPSXJIL-UHFFFAOYSA-N 429.358 4.910 5 20 IIBD C[C@@H](C(=O)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1)c1cccc([N+](=O)[O-])c1 572097579 WFVUGBXWBWAWIA-LJQANCHMSA-N 445.523 4.054 5 20 IIBD C[C@@H](NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccc(OCC(F)(F)F)cc1 573030878 YYNRQRFCBBNACX-CYBMUJFWSA-N 439.390 4.201 5 20 IIBD CSc1ccc([C@@H](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)N(C)C)cc1 573240414 VWOQUPGUSOTQQM-XMMPIXPASA-N 445.588 4.296 5 20 IIBD CC(=O)c1cc(Br)ccc1OCc1nc(Cc2ccc([N+](=O)[O-])c(C)c2)no1 573353033 QTMVGGUDDBQKFP-UHFFFAOYSA-N 446.257 4.421 5 20 IIBD O=C1NCc2c(NCc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)cccc21 574939665 ZVYXHYUVHJUQFJ-UHFFFAOYSA-N 428.242 4.473 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(F)(F)F)ccc2OCCOC)c1 583428682 PUBXHCQLTKNFMR-UHFFFAOYSA-N 428.363 4.290 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 584025745 VFEALHNSSLNRPF-SFHVURJKSA-N 436.342 4.453 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 584876712 ZKHNLHOUVGKNJD-DLBZAZTESA-N 430.302 4.243 5 20 IIBD Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)c12 592995860 XUMCQUPWXDUAEK-UHFFFAOYSA-N 434.481 4.438 5 20 IIBD COc1ccc(CSCC(=O)NCCSc2ccc(Cl)cc2)cc1[N+](=O)[O-] 603565782 VSLBLXBMHQYFJA-UHFFFAOYSA-N 426.947 4.399 5 20 IIBD C[C@H]1CCCN(S(=O)(=O)c2ccc(CNc3ccc4ncccc4c3[N+](=O)[O-])cc2)C1 603868189 DYMVHXPYVWQUHX-INIZCTEOSA-N 440.525 4.176 5 20 IIBD Cn1cc(C(=O)NCc2ccnc(Oc3ccccc3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 604309086 AAIWZNPOECNNEJ-UHFFFAOYSA-N 429.436 4.113 5 20 IIBD O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 608875874 WRLUDCPJVDBMPY-UHFFFAOYSA-N 444.329 4.102 5 20 IIBD CCC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCc2sccc2C1 608912489 SZYUAQHHDNGOOF-MRXNPFEDSA-N 436.921 4.185 5 20 IIBD Cc1nn(CCC(=O)Nc2nc(-c3ccccc3OC(F)F)cs2)c(C)c1[N+](=O)[O-] 609021459 CVRXJIIGCHNRAR-UHFFFAOYSA-N 437.428 4.162 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)c1ccc2nncn2c1 609791456 BVBFYFOOLZQBDO-UHFFFAOYSA-N 441.806 4.152 5 20 IIBD O=C1CCCCN1CC1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 609835735 KQGNOGMSJODAHN-UHFFFAOYSA-N 436.512 4.203 5 20 IIBD COC(=O)Cc1ccc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cc1 609854299 UEZRFDWEXKLZSJ-UHFFFAOYSA-N 449.250 4.055 5 20 IIBD CCCCN(C(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)[C@@H](C)c1ccccc1 609943166 JOGBQMZBBZXFHG-INIZCTEOSA-N 441.484 4.085 5 20 IIBD CC(C)(C(=O)NCc1ccc(OCCOc2ccccc2)nc1)c1ccc([N+](=O)[O-])cc1 610041426 NNAOBVDQCGQILH-UHFFFAOYSA-N 435.480 4.042 5 20 IIBD COCC[C@H](Cc1cccc(Br)c1)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 610151133 XRGAKVQYWCCMCA-CQSZACIVSA-N 437.290 4.200 5 20 IIBD Cc1cccn2cc(CCNC(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)nc12 610446217 QDQDPVGANNIBOU-UHFFFAOYSA-N 429.480 4.136 5 20 IIBD O=C(c1cc(N2CCc3c(F)cc(Br)cc3C2)ccc1[N+](=O)[O-])N1CCCC1 610726298 PJNOYAROXRFBIV-UHFFFAOYSA-N 448.292 4.295 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F 611155700 OBMOJGJISWPHCC-UHFFFAOYSA-N 436.390 4.326 5 20 IIBD COCCn1cc2c(n1)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)CCC2 611567129 HEUGAUMNWLFQRI-IBGZPJMESA-N 444.557 4.280 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc2c(c1)nc(O)n2C1CCCC1 725962778 TXCBQYUIZZNHJS-UHFFFAOYSA-N 449.423 4.172 5 20 IIBD O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 726193518 NMXTZSCXBKKFBH-UHFFFAOYSA-N 436.409 4.269 5 20 IIBD C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 727206725 ZSIHDGYJLMHICH-SNVBAGLBSA-N 446.765 4.216 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(CC[C@@H](O)c2ccccc2)c1 727361027 AEXUUDALOZUZBA-OAQYLSRUSA-N 426.494 4.370 5 20 IIBD O=C(OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 727926238 HXDFIYZCBBQQSO-GJZGRUSLSA-N 435.263 4.138 5 20 IIBD O=[N+]([O-])c1ccc(-c2cnn(CN3CCC[C@H](c4nc(-c5ccc(F)cc5)no4)C3)c2)cc1 728900025 ABTHQIFOOPJEKR-SFHVURJKSA-N 448.458 4.485 5 20 IIBD CC[C@@H](C)[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])C(=O)Nc1cccc(N2CCCC2)c1 729369822 NIICADMBKUGMNP-QVKFZJNVSA-N 442.491 4.117 5 20 IIBD Cc1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccccc1F 731713027 WKPUIWVKODLNKW-UHFFFAOYSA-N 436.395 4.334 5 20 IIBD CCOc1ncc(C(=O)OCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1Cl 732850079 WXPFQMVOZWIRMR-UHFFFAOYSA-N 432.763 4.009 5 20 IIBD CN1C(=O)CC[C@H](C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)[C@H]1c1ccc(C(F)(F)F)cc1 734389110 NTBDFQPXFWZJRZ-KBXCAEBGSA-N 439.365 4.301 5 20 IIBD CC(=O)Nc1cc(S(=O)(=O)Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])ccc1F 736631343 MNUAPTZDOPBQBG-UHFFFAOYSA-N 430.413 4.127 5 20 IIBD O=C(OCCn1cnc2ccsc2c1=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 739350514 XCRMQKIDQOUJME-UHFFFAOYSA-N 437.433 4.016 5 20 IIBD COc1ccccc1-c1nn(C)cc1C(=O)OCc1cc([N+](=O)[O-])ccc1OC(C)C 740992807 LXFZZFYFXPEPQS-UHFFFAOYSA-N 425.441 4.148 5 20 IIBD CCc1nc(C)c([C@H](C)OC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)s1 741951709 WXWDFAQOUVILNO-WMLDXEAASA-N 431.514 4.140 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 741956368 FUCBWUQPVKEOSB-MRXNPFEDSA-N 438.259 4.153 5 20 IIBD CN(C[C@@H]1CCCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)OC(C)(C)C 743111432 HCSXOVZCPBZBDX-ZDUSSCGKSA-N 444.435 4.059 5 20 IIBD CCO[C@@H]1C[C@@H](OC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C12CCCCC2 744226889 NLRRZFJQYWRAQH-QZTJIDSGSA-N 446.529 4.159 5 20 IIBD CSc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 744554514 QMQVZTMSUFUUTD-OAHLLOKOSA-N 443.525 4.491 5 20 IIBD C[C@H](OC(=O)[C@H]1SCCc2sccc21)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 745635310 HBKWFNRUCGPHEL-VFZGTOFNSA-N 426.903 4.211 5 20 IIBD C[C@H]1[C@H](C(F)(F)F)OC(=O)N1c1ncccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 746487726 SQCAYVXVJCBNSR-ISVAXAHUSA-N 444.753 4.172 5 20 IIBD Cc1sc(NC(=O)[C@H](C)NC(=O)OCc2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 747301171 FYXMJXHDDBUTLH-ZDUSSCGKSA-N 440.481 4.280 5 20 IIBD C[C@@H](c1nc2ccccc2s1)N1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 747731414 YFAMFGBJFKRLAV-AWEZNQCLSA-N 427.555 4.280 5 20 IIBD Cc1c(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748621309 QDIYQYPZSZRLNA-VXGBXAGGSA-N 446.435 4.125 5 20 IIBD CC[C@@H](Oc1ccccc1Cl)C(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 749031326 LOZHPJOLFZOCFA-GOSISDBHSA-N 433.892 4.260 5 20 IIBD O=C(NC[C@@H](O)c1ccccc1Cl)c1cc(Br)cc([N+](=O)[O-])c1Cl 749575633 GTLJEVCYTROZRZ-CYBMUJFWSA-N 434.073 4.128 5 20 IIBD Cc1c(COC(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-] 750143224 BQJQIHGMASOVSN-GOSISDBHSA-N 447.285 4.014 5 20 IIBD O=C(Cc1coc2cc3c(cc12)CCC3)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 750429110 XGPLNCKNHBUNBM-UHFFFAOYSA-N 435.480 4.227 5 20 IIBD O=C(O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Nc2ccccc2)cc(F)c1F 751142498 PVOKQCXCGFGMKK-UHFFFAOYSA-N 449.391 4.116 5 20 IIBD C[C@@H](OC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc(F)ccc1F 751644834 SSQVIHBFGLUWSN-SECBINFHSA-N 430.816 4.189 5 20 IIBD Cc1cc(N(C)C)cc(C)c1NC(=O)c1cc([N+](=O)[O-])ccc1I 752454435 XFQYNFDEJBVMNZ-UHFFFAOYSA-N 439.253 4.135 5 20 IIBD O=C(Cc1ccc(OCc2ccccn2)cc1)O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 752515699 KQIGAWCWSCROJG-RTWAWAEBSA-N 436.468 4.035 5 20 IIBD COc1cccc([C@@H](C)CC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 753534528 MEZZNYUDTKCSGP-LBPRGKRZSA-N 440.374 4.298 5 20 IIBD O=C(OCCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1scnc1Br 755631077 YHWTTZMVNUQBMG-UHFFFAOYSA-N 441.181 4.068 5 20 IIBD O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)NCc1cc([N+](=O)[O-])ccc1Cl 757000416 SLHFCIDKGFSKRF-UHFFFAOYSA-N 439.855 4.087 5 20 IIBD Cc1cc(-c2noc([C@H](C)NC(=O)c3cc([N+](=O)[O-])ccc3Br)n2)ccc1F 760827584 UPTQFFWSWSRHIY-JTQLQIEISA-N 449.236 4.346 5 20 IIBD O=[N+]([O-])c1ccc(CCc2nc(-c3ccnc(OCc4ccccc4)c3)no2)c([N+](=O)[O-])c1 761693702 UPTWARSXFMKYMN-UHFFFAOYSA-N 447.407 4.312 5 20 IIBD CN1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)[C@H]1c1ccc(Cl)c(F)c1 762575728 ZDWBQIQYRQRYMW-VBKZILBWSA-N 448.882 4.449 5 20 IIBD CC(C)(C(=O)OCc1cccc(C(=O)NCc2ccco2)c1)c1ccc([N+](=O)[O-])cc1F 762995738 CAESSCRKCLTLJT-UHFFFAOYSA-N 440.427 4.278 5 20 IIBD Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1cc(F)c([N+](=O)[O-])cc1F 763516794 CPEVHOUDTVZWFB-MRXNPFEDSA-N 441.438 4.077 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 764156400 OKKTXPYWORMRJZ-UHFFFAOYSA-N 445.819 4.257 5 20 IIBD Cc1ccc([C@H](C)[C@@H](O)C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 764640910 NGAYFJRTKQDFKM-KSFYIVLOSA-N 434.448 4.226 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CS(=O)(=O)Cc3nc(Cl)ccc3Cl)co2)cc1 764898511 YAYQSLLDBLPFPL-UHFFFAOYSA-N 428.253 4.067 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Oc2cccc(NC(=O)c3cccs3)c2)c1C 765185924 SSXUFEORNXPMDZ-UHFFFAOYSA-N 432.479 4.293 5 20 IIBD COc1ccccc1/C=C(/C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccccc1 769603968 LMQNICYXYZJRGD-CPNJWEJPSA-N 428.448 4.337 5 20 IIBD CC(C)(C)C(=O)c1ccc(S(=O)(=O)Oc2c(Br)cccc2[N+](=O)[O-])cc1 769927806 VOQQFHZOSIOUFG-UHFFFAOYSA-N 442.287 4.354 5 20 IIBD O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cn1)c1cc(F)c([N+](=O)[O-])cc1F 770417484 BADUXPAUPDEQIB-UHFFFAOYSA-N 432.770 4.426 5 20 IIBD C[C@H]1[C@@H](C)N(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCN1C(=O)OC(C)(C)C 776502167 FVOAMKASQIXEDA-MSOLQXFVSA-N 449.551 4.011 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Nc2ccccc2)cc1 777597352 SFZYXGCPFKQAMR-UHFFFAOYSA-N 442.453 4.318 5 20 IIBD O=C(Nc1ccc(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cc1)c1cccs1 781634953 BFIPZTHZRBAYGU-SFHVURJKSA-N 436.449 4.040 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 783557855 OPVKPIIURVHGBU-UHFFFAOYSA-N 449.345 4.279 5 20 IIBD CC(C)(NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccc(OC(F)(F)F)cc1 789514615 SSOSCSQEVGYQCF-UHFFFAOYSA-N 429.370 4.486 5 20 IIBD Cc1c(Br)cc(C(=O)O[C@@H]([C@@H]2CCCOC2)C(F)(F)F)cc1[N+](=O)[O-] 789661603 YNSPRTSJLDFKTB-RNCFNFMXSA-N 426.185 4.180 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCN(Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)CC1 790453876 YZEGLNCDELJHDP-UHFFFAOYSA-N 429.521 4.015 5 20 IIBD CCC(CC)(CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC(=O)OC(C)(C)C 790560510 QKJNJYFICDLXTF-UHFFFAOYSA-N 431.892 4.130 5 20 IIBD CCCN(C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)C1CCN(C(=O)OC(C)(C)C)CC1 790787603 JKKMLRSUCVCKKC-UHFFFAOYSA-N 435.521 4.164 5 20 IIBD O=C(c1cnc(Br)c(Cl)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 790796779 MXWYLOMQDWTTOD-UHFFFAOYSA-N 440.681 4.089 5 20 IIBD COc1ccccc1-c1nc(C2CCN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)CC2)no1 791051875 YTEHICDVVMGTKD-FLIBITNWSA-N 434.452 4.073 5 20 IIBD CN(C[C@@H]1C[C@H](F)CN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)OC(C)(C)C 793473548 KVMFWWIQHNNEPJ-ZFWWWQNUSA-N 449.401 4.033 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCCC[C@H]1c1ncc(-c2ccccc2)[nH]1 793893101 WYMRXHLDRQKKGI-FQEVSTJZSA-N 430.468 4.088 5 20 IIBD CCOCCOCc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c1C 795327268 XLVMNSMWULSASL-UHFFFAOYSA-N 446.884 4.050 5 20 IIBD COC(=O)/C=C/c1ccc(OC)c(OC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 797167386 XFMJADQGZFAPEP-ONNFQVAWSA-N 440.433 4.132 5 20 IIBD Cc1cc([C@@H]2CCCN2C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])ccc1Br 797768048 KDYYRTMAHNWMRC-KRWDZBQOSA-N 447.285 4.221 5 20 IIBD CC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC)CC[C@@H]1NC(=O)OC(C)(C)C 801917356 ZZYDNOHCDOQRDA-YJBOKZPZSA-N 444.536 4.003 5 20 IIBD COC(CCCC(C)(C)CNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)OC 803119306 XOPMHZBKAYRQPG-UHFFFAOYSA-N 431.327 4.211 5 20 IIBD CC(C)(C)OC(=O)N1CCC(c2csc(NC(=O)c3ccc([N+](=O)[O-])s3)n2)CC1 807885767 QWEZHRBSYLIBNG-UHFFFAOYSA-N 438.531 4.480 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3cncnc3-c3ccccc3)CC2)ccc1[N+](=O)[O-] 810596312 TZRGIROELQWOSU-UHFFFAOYSA-N 448.479 4.276 5 20 IIBD O=C(Cc1cccc(OCc2cccnc2)c1)O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 810628198 CSVYJSVMFPPERC-LEWJYISDSA-N 436.468 4.035 5 20 IIBD C[C@@H]1[C@@H](C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1C(=O)OC(C)(C)C 811220277 ZTCJFTGGCAVUHR-DYVFJYSZSA-N 447.513 4.407 5 20 IIBD O=C(NC1CCCCC1)NC1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 813419159 FMZHSHRGSYLKHR-UHFFFAOYSA-N 443.331 4.138 5 20 IIBD CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 813433728 BCJLBLIGBRPAPT-GFCCVEGCSA-N 432.304 4.373 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1(Cc2cccc(F)c2)CCOCC1 814597050 ATUOOFXTXAIOHF-UHFFFAOYSA-N 440.427 4.472 5 20 IIBD C[C@H](N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(N2CCCOC2=O)cc1 814658599 PUKMNQGPELRMRT-UONOGXRCSA-N 446.891 4.273 5 20 IIBD C[C@H](Cc1cnc2ccccc2n1)C(=O)O[C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 816038105 JWBOUWNTNDSEOW-QAPCUYQASA-N 438.459 4.068 5 20 IIBD CC(C)C(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 914928966 AKTZNNMBZIXFKM-LBPRGKRZSA-N 433.848 4.027 5 20 IIBD O=C(Nc1cccc(OC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1)c1ccccc1 916421703 KJQHXUVXEVRTJL-UHFFFAOYSA-N 428.404 4.252 5 20 IIBD CC(C)N(C(=O)COC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccccc1 917261174 XUWCCPHQFUYELE-UHFFFAOYSA-N 440.374 4.134 5 20 IIBD O=C(CCc1ccccc1Br)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 917322913 CUBUUXAWHCTSJS-UHFFFAOYSA-N 432.230 4.083 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1I)N1CCC[C@H]1c1cccc(F)c1 917818672 BWZSDLXQOSUDKE-INIZCTEOSA-N 440.212 4.316 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCSc3c(F)cccc32)cc1Br 917874699 GDRDXOOYAOFMTK-CYBMUJFWSA-N 447.307 4.012 5 20 IIBD CC(C)(C)c1ccc(N2CCC(NC(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)cc1 919767964 QKZQVPDHAQOFQK-UHFFFAOYSA-N 435.528 4.027 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1nc2c(s1)C[C@H](c1ccccc1)CC2 921284032 JVKCAGTVGOBLNX-OAHLLOKOSA-N 433.493 4.312 5 20 IIBD CC(C)CCSc1ccc(C(=O)N(C)S(=O)(=O)Cc2ccccc2)cc1[N+](=O)[O-] 1115859043 LLIFZKDDRYQDSB-UHFFFAOYSA-N 436.555 4.335 5 20 IIBD C[C@H](NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C(=O)NCC(F)(F)F 1116471992 OXVFQZUWMLIOHC-NSHDSACASA-N 431.798 4.197 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)c1nnc(-c2ccc(F)cc2Br)o1 1117225568 VRNVKPOORRINKX-GFCCVEGCSA-N 439.245 4.152 5 20 IIBD CCOC(=O)c1csc([C@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2Br)n1 1321076412 UVWHITFUTKWEGL-OAHLLOKOSA-N 440.319 4.328 5 20 IIBD COc1ccc(Br)c(-c2nnc(-c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)o2)c1 1329269395 BQVKNZSOLUMAIF-UHFFFAOYSA-N 442.229 4.269 5 20 IIBD COc1ccc(NC(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c([N+](=O)[O-])c1 1347509597 MXCUOZOZSHDOBY-DLBZAZTESA-N 426.256 4.032 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccc(C2(NC(=O)C3=CCCS3)CCC2)cc1 1786205592 JPVHCNNMNFXHET-CSKARUKUSA-N 439.493 4.356 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccccc4[N+](=O)[O-])CCC3)cc2)on1 1787404087 CIFYWSHKAHPDGZ-KPKJPENVSA-N 446.463 4.352 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)C34CC(C3)C4)CCC2)cc1)c1cc([N+](=O)[O-])cc2c1OCC2 1790044969 AAXMGIRUEZXUIX-UHFFFAOYSA-N 447.491 4.078 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)C3CCCC3)CCC2)cc1)c1cc([N+](=O)[O-])cc2c1OCC2 1790046395 DCDJPWPRZKEZMR-UHFFFAOYSA-N 449.507 4.468 5 20 IIBD C[C@@H]1C[C@]1(C)C(=O)NC1(c2ccc(NC(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2)CCC1 1790827666 MLYGWLFCMZSOCA-FATZIPQQSA-N 447.495 4.265 5 20 IIBD Cc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] 1799617995 BYMITFQUNUFFSO-ACDBMABISA-N 441.915 4.051 5 20 IIBD Cc1cc(F)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c(F)ccc([N+](=O)[O-])c2C)C3)c1 1800366887 ITQJQEWPKISMDQ-BCDXTJNWSA-N 443.450 4.055 5 20 IIBD C/C=C/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 1801631960 BLROTDZGVLPLEJ-ROKNLJKFSA-N 425.510 4.194 5 20 IIBD Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C3)c1Cl 1803617152 XDVIYJGQPUQQEP-BCDXTJNWSA-N 441.915 4.051 5 20 IIBD CC(C)/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 1831293007 LLYAHKHZCYCDDO-OUZREKFBSA-N 445.535 4.108 5 20 IIBD C[C@@H](OC(=O)CCc1ncc(-c2ccccc2Cl)o1)C(=O)Nc1cccc([N+](=O)[O-])c1 12252600 IODRPADGMZOVFT-CYBMUJFWSA-N 443.843 4.406 5 20 IIBD COc1cc(C(=O)NC2CCN(C3CC3)CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 14528206 AKXFIBUXPGJVJJ-UHFFFAOYSA-N 445.903 4.406 5 20 IIBD O=C(OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cc(-c2ccco2)nc2ccccc12 16751689 VMKLJKXUYDMUFM-UHFFFAOYSA-N 443.415 4.149 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccccc1SCc1ccco1 18410388 NNSKISVCKOOFAT-UHFFFAOYSA-N 442.449 4.284 5 20 IIBD Cc1c(C(=O)NCC(c2ccccc2)c2ccccc2)nnn1-c1cccc([N+](=O)[O-])c1 31423012 NZNCBENAMAEHIG-UHFFFAOYSA-N 427.464 4.046 5 20 IIBD Cc1ccc([C@@H](OC[C@H](O)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)c2ccccc2)cc1 59374291 NKGPLMONIFUXPT-RPWUZVMVSA-N 444.491 4.329 5 20 IIBD COc1ccc(COc2cccc(F)c2)cc1NC(=O)CNc1ccccc1[N+](=O)[O-] 63711792 YCYYOEKXMJQWFX-UHFFFAOYSA-N 425.416 4.372 5 20 IIBD CC(C)c1ccsc1C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 64671554 ZNZGJGNNMKORKP-UHFFFAOYSA-N 437.524 4.321 5 20 IIBD Cc1cccc(NC(=O)COc2ccc(CCNC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)c1 65029214 MELFVJRESLMUGO-UHFFFAOYSA-N 448.479 4.285 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1F)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 97497753 RNFAVYTZYWBRHU-UHFFFAOYSA-N 425.382 4.101 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSc1nnc(NCc2ccccc2)s1 261409815 CLXAAGUKQKWKJX-UHFFFAOYSA-N 443.510 4.149 5 20 IIBD Cc1nc(-c2ccccc2)sc1CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] 301146561 KAFZVFHJKPCCSP-UHFFFAOYSA-N 438.509 4.111 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H]3[C@@H]4CCO[C@H]4C3(C)C)c([N+](=O)[O-])c2)c(C)c1 301377186 WKOJEBVPEJGWLJ-ZLGUVYLKSA-N 445.541 4.238 5 20 IIBD O=C(NCCCc1ccc(Cl)cc1Cl)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 426049034 IKLQJXLAGHBURM-UHFFFAOYSA-N 426.304 4.077 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 431460222 QTFCHPQDOFYTOK-UHFFFAOYSA-N 435.118 4.314 5 20 IIBD O=C(c1cccc(-c2noc(C(F)(F)F)n2)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 431860256 PZNFIKFYAKMIBI-UHFFFAOYSA-N 432.358 4.468 5 20 IIBD Cc1ccc(CNC(=O)c2cccc(CNC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])c2)cc1 432017515 ZQZWXSQNTLCYBB-UHFFFAOYSA-N 445.519 4.427 5 20 IIBD O=C(NCCCCN1CCC[C@@H]1CO)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 432524377 GISSMKUIZYIHIS-GOSISDBHSA-N 447.919 4.007 5 20 IIBD Cc1cc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)n(-c2ccc([N+](=O)[O-])cc2)n1 435719392 LZBZSTBLLGPKIZ-UHFFFAOYSA-N 445.259 4.336 5 20 IIBD O=C(Nc1ccccc1)Nc1cccc2c1CCN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)C2 436960320 CNRFRNYWQCEBEX-UHFFFAOYSA-N 432.436 4.143 5 20 IIBD O=C(Nc1cccc(N2CCCCCC2)c1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437035118 DUIPFOANGMRYJA-UHFFFAOYSA-N 436.512 4.105 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3C[C@@H](C)OC[C@H]3c3ccccc3)cc2)c(C)c1[N+](=O)[O-] 437382191 CVYCHLHKDSCEIW-ZHRRBRCNSA-N 434.496 4.059 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC(Oc4ccccn4)CC3)cc2[N+](=O)[O-])C1 438320116 XNBBZRMMAQTAOM-HDICACEKSA-N 438.528 4.156 5 20 IIBD COc1ccc(Cl)cc1N(C)S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 438767491 AKLNBGLKAIZKAX-UHFFFAOYSA-N 449.710 4.153 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1 439164625 GOODRWABPLEGIL-UHFFFAOYSA-N 435.665 4.582 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C(C)C)c(O)cc1C 439223364 NEXVFFCOESMFRL-GOSISDBHSA-N 445.541 4.222 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N(C)[C@H](C)c2ccccc2F)cc1[N+](=O)[O-] 439251946 YMLLOFLICBQDOI-LLVKDONJSA-N 431.283 4.187 5 20 IIBD O=C(c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2)N1CC[C@H](O)C1 443245237 QUGAVVNXXAAOAO-UMEYKSNOSA-N 429.476 4.227 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(C(F)(F)F)c(C)c2)ccc1[N+](=O)[O-] 443928278 OMKFZKBRSWZGTO-GOSISDBHSA-N 435.402 4.474 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC[C@@H](c4nccn4C)C3)cc2[N+](=O)[O-])n1 444668920 COJPRZHQEOMTOK-OAHLLOKOSA-N 443.554 4.264 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC(c2nc(-c3ccc(O)nc3)no2)CC1 445432588 WOCBERZQJXXEOC-UHFFFAOYSA-N 435.362 4.148 5 20 IIBD Cc1c(C)n(C[C@H]2CCCO2)c2ncnc(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)c12 445961194 SISOFEKUFOLDNA-XJKSGUPXSA-N 441.463 4.017 5 20 IIBD O=C(Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])c1ccnc(N2CCCCC2)n1 446428516 VJEZLXSGPJYQQU-UHFFFAOYSA-N 433.468 4.206 5 20 IIBD CN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCOc2ccc(Br)cc21 446508857 ZSGYZZNKRJTEKQ-KRWDZBQOSA-N 434.290 4.065 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N2CCn3c(cc4ccc(Cl)cc43)C2)c([N+](=O)[O-])c1 447387892 VIXWSNKBACAFPJ-CYBMUJFWSA-N 428.876 4.054 5 20 IIBD COc1ccc(CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCOC2)C2CC2)cc1 461367441 SHJJAQTXMFXZEP-SFHVURJKSA-N 449.511 4.067 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC)Cc1cccc(-c2ccncc2)c1 462496263 PYIPRCLIHVVSPM-UHFFFAOYSA-N 425.510 4.430 5 20 IIBD O=C(NCCc1ccc(F)c(Br)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 463284245 PDYYMEPTJLLVOV-UHFFFAOYSA-N 435.171 4.488 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC(C)(C)c1cccc(C(F)(F)F)c1 464038456 AQMMAWLSZIHKNK-UHFFFAOYSA-N 437.418 4.263 5 20 IIBD CC(=O)Nc1ccc(S[C@@H](C)C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 464636505 XLNMZMRHROYLLL-HNNXBMFYSA-N 443.525 4.104 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCN(c3cccs3)CC2)cc1[N+](=O)[O-])c1ccccn1 466917960 UNFOWVBZAGQENK-MRXNPFEDSA-N 437.525 4.187 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl 468219571 SPMKTUORKKXRJU-CLAHSXSESA-N 432.283 4.151 5 20 IIBD CCCN([C@H](C)c1cc2ccccc2o1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC 468790458 BJTQACAAQZKALE-CQSZACIVSA-N 446.481 4.290 5 20 IIBD CN(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@H](c1ccc(Cl)cc1)c1cnccn1 470622682 FXRLINCILSTYPI-HXUWFJFHSA-N 425.876 4.012 5 20 IIBD Cc1nn(CCC(=O)N2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)c(C)c1[N+](=O)[O-] 472284872 JBTMZKAILPFRLE-MRXNPFEDSA-N 442.463 4.134 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(O)(Cc2cccc(F)c2)CC1 474841147 KAXPVEVRQLVAQH-UHFFFAOYSA-N 438.908 4.076 5 20 IIBD CCOc1cc(N2CCN(C(=O)[C@@H]3CCCC[C@@H]3C(F)(F)F)CC2)ccc1[N+](=O)[O-] 477348989 HFZPOXBOJVEVHY-CVEARBPZSA-N 429.439 4.011 5 20 IIBD CNC(=O)COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c(C)c1 478648609 VZBSZKAVUKCCED-UHFFFAOYSA-N 435.436 4.073 5 20 IIBD O=C(CSc1n[nH]c(Cc2ccccc2)n1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 478741818 VJJLBBDCEILFEZ-UHFFFAOYSA-N 437.403 4.053 5 20 IIBD CCC(CC)[C@H]1C[C@H](NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)CCO1 478772911 AUGKLYZPLSBBNR-NHCUHLMSSA-N 428.533 4.170 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)NCCCOC2CCN(Cc3ccccc3)CC2)c1 482445949 JYBHPANUIQXWGU-UHFFFAOYSA-N 443.569 4.118 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H](Cc1ccc(Cl)cc1Cl)C(C)C 482722973 LIYLHYGGTYXZRS-OAHLLOKOSA-N 427.332 4.428 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cc(COc2ccccc2F)on1 486710263 MYNAJLCXWCXPFO-UHFFFAOYSA-N 439.321 4.250 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCCNC(=O)c1ccc(F)cc1 487468751 GLTMQHXJRILVRM-UHFFFAOYSA-N 433.505 4.032 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 488373635 NZQIDTRHPSHXEY-LLVKDONJSA-N 447.296 4.118 5 20 IIBD CCn1c(S[C@@H](C)C(=O)N(C)Cc2ccccc2)nnc1-c1ccc([N+](=O)[O-])cc1 489416469 TYRBBLSMRVKPSO-HNNXBMFYSA-N 425.514 4.012 5 20 IIBD CCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@H](c1cccnc1)c1ccc(F)cc1F 489454979 WNMMEBYDDQSUNF-HXUWFJFHSA-N 441.390 4.248 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@H](Cc2cccc(F)c2)c2cccc(F)c2)cccc1[N+](=O)[O-] 491193800 FHVCNPZJOKQOQY-HXUWFJFHSA-N 439.418 4.220 5 20 IIBD COc1cc(CN[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])cc1OCC(F)F 493959129 ADGHLGSHUYPCOI-FOIQADDNSA-N 444.381 4.145 5 20 IIBD Cc1nn(C)c(C(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)c1[N+](=O)[O-] 497967320 IHHHZGHCPPAWEL-INIZCTEOSA-N 437.887 4.333 5 20 IIBD Cn1cc(C(=O)Nc2ccnc(OCc3ccccc3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 501710519 PKJKLUFCAZRHNE-UHFFFAOYSA-N 429.436 4.222 5 20 IIBD O=c1c([N+](=O)[O-])cc(Br)cn1Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 502116253 GERORRYVMKAZOP-UHFFFAOYSA-N 444.163 4.241 5 20 IIBD O=C(Nc1cc(CC2CC2)nn1-c1ccccc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 502177670 ALNGPUWJOJPBQJ-UHFFFAOYSA-N 428.452 4.171 5 20 IIBD O=C(NCc1ccc(Oc2ccccc2)nc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 503482599 FDIVYGAUPQAOIB-UHFFFAOYSA-N 432.480 4.315 5 20 IIBD COc1ccc(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1OC 506124111 FZLKYZQNNIUPRU-OAHLLOKOSA-N 436.468 4.110 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 506382844 SSZGNCFSBPFVES-UHFFFAOYSA-N 425.828 4.295 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC(c2ccc(Br)cc2)CC1 506889056 LJCQKICRPNHGHF-UHFFFAOYSA-N 446.301 4.010 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC(C)(c2nc3ccccc3s2)CC1 509150994 IFLDKMPXJZNDAN-UHFFFAOYSA-N 431.539 4.255 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C 510552442 QKDVNWAUBBLCTL-IERDGZPVSA-N 431.558 4.063 5 20 IIBD C[C@H](Nc1cccc(COCC(F)(F)C(F)F)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 511028724 NMJHSKABIFJJNK-LBPRGKRZSA-N 429.370 4.451 5 20 IIBD O=C(NC1(C(F)(F)F)CCCCC1)c1ccc([N+](=O)[O-])cc1I 511272497 IQZNHNRDYCGPPQ-UHFFFAOYSA-N 442.175 4.194 5 20 IIBD CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 511859790 MYJLXZZPGCHPTE-HXUWFJFHSA-N 436.493 4.193 5 20 IIBD O=C(N[C@@H]1CC(=O)N2CCCC[C@H]12)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 512490964 PYBOVAWAOSTUOU-IAGOWNOFSA-N 445.928 4.283 5 20 IIBD Cc1ccc(OCc2nc(CC(=O)N(C)CCc3cccc([N+](=O)[O-])c3)cs2)cc1 513009414 RPWHFZMMPSHZPP-UHFFFAOYSA-N 425.510 4.182 5 20 IIBD C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 513627087 KKBHDMDGWJLXJB-SNVBAGLBSA-N 443.308 4.065 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)N[C@H](c2cccc(Cl)c2)C2CCCC2)cc1[N+](=O)[O-] 513807143 WEOBPBPSKFQGQU-IBGZPJMESA-N 436.917 4.313 5 20 IIBD COCc1cccc(CNc2ccc(C(=O)c3ccccc3C(=O)OC)cc2[N+](=O)[O-])c1 515550543 WFJUXKIQYQZFED-UHFFFAOYSA-N 434.448 4.371 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NC[C@@H]1CCOc2ccccc21 517492866 UPQHQBPXWZWLAT-INIZCTEOSA-N 439.493 4.374 5 20 IIBD CCc1c(-c2ccc(Br)cc2)n[nH]c1NC(=O)Cc1ccc([N+](=O)[O-])cc1 517695507 XDPMEFGYUMTFDJ-UHFFFAOYSA-N 429.274 4.491 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCN(c2ccccc2Br)C1 517707693 QZFNAPXBYARSEX-NSHDSACASA-N 439.697 4.411 5 20 IIBD COc1ccc(CSCC(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1[N+](=O)[O-] 520016994 FUKJJLRWGBYGFH-PZJWPPBQSA-N 434.489 4.012 5 20 IIBD COc1ccc(CC[C@H]2CCCCN2C(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1OC 521205360 BJQMDBDYQMQCHO-HXUWFJFHSA-N 441.528 4.351 5 20 IIBD O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 522349276 DPUXUBGPKDWPNV-YTTGMZPUSA-N 446.488 4.341 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc(Oc2cccc(Br)c2)nc1 524326024 TYLPCGXOYQVZCD-UHFFFAOYSA-N 428.242 4.475 5 20 IIBD CCOc1ccc(Br)cc1NC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 525031778 RBULDNDAEZZZEF-UHFFFAOYSA-N 425.235 4.026 5 20 IIBD C[C@@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)NC2CC2)cc1 525354482 KJFJEKVEIRBOFN-MRXNPFEDSA-N 439.516 4.262 5 20 IIBD CC[S@](=O)[C@@H]1CCC[C@H](NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 531176875 WOYVAHXAIHSMIR-RWQLPTIWSA-N 446.569 4.352 5 20 IIBD CC[S@](=O)[C@H]1CCC[C@@H](NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 531176876 WOYVAHXAIHSMIR-RZYGYNCFSA-N 446.569 4.352 5 20 IIBD O=C(NCc1cnn(CC(F)(F)F)c1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 532433519 IWHTYSRIBUHYTD-UHFFFAOYSA-N 435.362 4.468 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(Cc1c(C)noc1C)Cc1c(C)noc1C 532574600 CTWICIQPQNTVET-UHFFFAOYSA-N 441.488 4.144 5 20 IIBD Cc1ccc(Cn2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3Br)c2=O)cc1 533141542 VWJHMBHTXNHCHY-UHFFFAOYSA-N 442.269 4.128 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 534648435 XAHSMZNMJASYSB-UHFFFAOYSA-N 447.520 4.272 5 20 IIBD O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCC[C@H]1[C@@H](O)C(F)(F)F 535443345 UHFYCFJKRNVABX-DLBZAZTESA-N 426.416 4.274 5 20 IIBD Cc1ccc2c(CC(=O)NCCCNc3ncnc4ccc([N+](=O)[O-])cc34)coc2c1C 537023388 XKAFMNVPFCRLIA-UHFFFAOYSA-N 433.468 4.062 5 20 IIBD O=C(NCCc1cc(Cl)cc(Cl)c1)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 537258568 FEMNILMQVDBELM-UHFFFAOYSA-N 438.296 4.143 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cccc(C(=O)N(C)C)c1 537453402 DPVZTLQSWDHMIC-UHFFFAOYSA-N 429.542 4.161 5 20 IIBD COc1cc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC(F)F 538244251 JLIBUSJXYXLLFG-SUMWQHHRSA-N 442.802 4.118 5 20 IIBD CCOc1cc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])cc1OC 539151399 FJSWNJIQDOBEBA-HNAYVOBHSA-N 438.839 4.055 5 20 IIBD CCN1CC[C@@H](N(C)Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C[C@@H]1C 539817236 LXIIOBMOKQQTOG-PGRDOPGGSA-N 427.545 4.487 5 20 IIBD O=C1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 541548365 IQBSHYNIGFCBKN-PKOBYXMFSA-N 444.871 4.251 5 20 IIBD C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccc([N+](=O)[O-])cc1F 541732132 WUSBRWFQLSTIDO-CZUORRHYSA-N 439.409 4.247 5 20 IIBD Cc1cc(N(C)CCC2CCN(C3CCN(C)CC3)CC2)c2cc([N+](=O)[O-])ccc2n1 542121124 QWKOXZVJNMZHJY-UHFFFAOYSA-N 425.577 4.084 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CCC[C@H]2Cn2c(C)nc3ccccc32)c1Br 542507006 ZDYSOCRIGOUGMQ-AWEZNQCLSA-N 430.306 4.388 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)N1C[C@H]2[C@H](O)CC[C@H]2C1 543346786 BBGZWPPRPZESGM-JCKWVBRZSA-N 449.866 4.092 5 20 IIBD CCCC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1 543662956 NCGNLAAHFMUDMJ-UHFFFAOYSA-N 425.894 4.404 5 20 IIBD Cc1ccc(-c2noc(CN(C)C(=O)c3ccc(Br)s3)n2)cc1[N+](=O)[O-] 544953284 MTAFNPUSNORVBH-UHFFFAOYSA-N 437.275 4.049 5 20 IIBD Cc1cc(Cc2noc(CCc3nnc(-c4ccc(Cl)cc4)o3)n2)ccc1[N+](=O)[O-] 545783961 GBVRDUAFQDLKGM-UHFFFAOYSA-N 425.832 4.366 5 20 IIBD COC(=O)c1cc(-c2nc([C@@H](C)c3ccc(Br)cc3)no2)cc([N+](=O)[O-])c1 545837329 AHLYUOBSZWEJDK-JTQLQIEISA-N 432.230 4.346 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1ccc(Br)cc1C(F)(F)F 546794090 CBIWGFOTMUXUCK-UHFFFAOYSA-N 439.209 4.318 5 20 IIBD O=C(N[C@@H](CO)c1ccc(C(F)(F)F)cc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 547719999 RXNOBTJEPLUQOJ-FQEVSTJZSA-N 426.394 4.164 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)N[C@@H](C(C)(C)C)C(F)(F)F)c1ccccc1[N+](=O)[O-] 547855607 WRSMELNDLFIZRJ-CJNGLKHVSA-N 433.427 4.254 5 20 IIBD CCOC[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cccs2)C1 549959969 WUYODTSZNIHAJY-MRXNPFEDSA-N 427.530 4.216 5 20 IIBD Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c(O[C@@H]2CCOC2)c1 550272171 KNYMXRMSQDXGLR-MRXNPFEDSA-N 449.301 4.072 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 555817109 AJCBEUDPNSKOPO-UHFFFAOYSA-N 434.290 4.446 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)c1ccc([S@](C)=O)cc1 555862446 PBZXZYTWIBYMCN-RYZVSIALSA-N 439.331 4.236 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)NCC2(c3cc(Cl)ccc3OC)CCOCC2)c1 558755575 PFGGARXXFNTGOM-UHFFFAOYSA-N 448.903 4.134 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc2c(c1)CCC(=O)N2 559519400 KIDINGXQHCBTLP-LLVKDONJSA-N 432.274 4.041 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CN[C@@H]2CCOc3c(Cl)cccc32)c1 562078635 QGTUWWGINUZZJK-OAHLLOKOSA-N 444.656 4.466 5 20 IIBD Cc1cc(C(=O)N(CCc2ccc(Cl)cc2)C[C@@H](O)C(F)(F)F)ccc1[N+](=O)[O-] 562212983 AVNJNAYWSTWNTP-QGZVFWFLSA-N 430.810 4.165 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N[C@H](CCCO)c1ccccc1 564463264 REKJUIRVWFCLGN-HXUWFJFHSA-N 441.509 4.321 5 20 IIBD O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC2(CCC2)c2cc(Br)ccc21 568349052 OLKTXQWJKCNIRO-UHFFFAOYSA-N 431.242 4.168 5 20 IIBD COc1cccc2c(NC(=O)Cc3ccc([N+](=O)[O-])cc3Br)c(C)cnc12 570064367 FWMOAOQAFYOVPG-UHFFFAOYSA-N 430.258 4.404 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccnc(-c3ccc(Cl)cc3)n2)c(C)c([N+](=O)[O-])c1 571796487 IVUYIZFUCYDTJD-UHFFFAOYSA-N 426.816 4.053 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c1 574139216 FHNSIVGKPGTODW-CYBMUJFWSA-N 439.921 4.021 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(C(C)(C)NC(=O)c2ccccc2)no1 576166476 QIZMCQDLGQKGSN-UHFFFAOYSA-N 445.273 4.381 5 20 IIBD CN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1ccc(Cl)c(C(F)(F)F)c1 576311784 ZLOJVUFBTKHPGL-UHFFFAOYSA-N 425.754 4.124 5 20 IIBD COc1cccc(Cc2nnc(S[C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)o2)c1 576602694 GDKYKQSBVAVDEZ-LBPRGKRZSA-N 439.453 4.481 5 20 IIBD COc1ccc(CNC(=O)NCCc2ccc(-c3csc(C)n3)cc2)cc1[N+](=O)[O-] 579862967 YPYCZPXWXHOPHJ-UHFFFAOYSA-N 426.498 4.077 5 20 IIBD COc1ccc(-c2cnc(NC(=O)c3cc([N+](=O)[O-])cc(Br)c3C)n2C)cc1 580372846 PLFZNTXVHUEAFX-UHFFFAOYSA-N 445.273 4.327 5 20 IIBD CSc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)N(C)C)cc1 580673237 YJDFNMPVMLSFJX-QGZVFWFLSA-N 438.347 4.112 5 20 IIBD Cc1cc(=O)c(C(=O)N2C[C@H](C)CC[C@@H]2c2ccccc2)nn1-c1ccccc1[N+](=O)[O-] 587989124 MCNRUEPWVFQADA-VQIMIIECSA-N 432.480 4.063 5 20 IIBD COCCN(C(=O)[C@@H](C)Oc1cccc(C)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603461415 PORVCVGGOUVRKY-MRXNPFEDSA-N 441.509 4.474 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 603495127 RVGLPONLXFDQFE-LLVKDONJSA-N 427.404 4.006 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 603569136 VDJVDQBZCGQSKB-GOSISDBHSA-N 436.295 4.165 5 20 IIBD Cc1ccc2c(C3=CCN(C(=O)c4ccc(-n5ccnc5)c([N+](=O)[O-])c4)CC3)c[nH]c2c1 603674446 BMVOACOVRXSREH-UHFFFAOYSA-N 427.464 4.500 5 20 IIBD COCCn1cc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)cn1 603743615 RGPHMXAPEBCIEK-UHFFFAOYSA-N 446.847 4.144 5 20 IIBD COc1ccc(C[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)c2ccccc2)cc1OC 608984744 VBNBBPMQIWJRNB-NRFANRHFSA-N 435.480 4.395 5 20 IIBD CC(C)(C)[S@@](=O)Cc1cccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 609700608 AHYKOBDHWJYPOK-SANMLTNESA-N 430.935 4.096 5 20 IIBD CCNC(=O)CCCC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 609796905 UTBYMGNOEWHCSK-UHFFFAOYSA-N 437.855 4.102 5 20 IIBD COc1cc(C(=O)Nc2ncc(Cc3ccc(C)c(F)c3)s2)cc([N+](=O)[O-])c1OC 610170804 VNRQTONZHJWMHY-UHFFFAOYSA-N 431.445 4.359 5 20 IIBD CCCN(Cc1ccc(OC)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 610955945 KEMQYVPIORPKFR-UHFFFAOYSA-N 432.420 4.223 5 20 IIBD O=C(NCCNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)c1ccccc1Cl 611200453 IIQUOOVBSSNRSE-UHFFFAOYSA-N 447.944 4.443 5 20 IIBD O=C(Nc1ccc(N2CCc3sccc3C2)nc1)c1ccc([N+](=O)[O-])c2cccnc12 611221470 RMBHUROQWMCEGN-UHFFFAOYSA-N 431.477 4.415 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)[C@@H]1CCc2nccn2C1 615764845 QIKMHNNKJJNZPP-CQSZACIVSA-N 444.850 4.255 5 20 IIBD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCCOc2ncc(C(F)(F)F)cc2Cl)n1 618571964 ZVYSELRCQRQVBL-UONOGXRCSA-N 433.818 4.011 5 20 IIBD CCOc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c([N+](=O)[O-])cc1OCC 619213093 NJPIOARGELGZSE-CYBMUJFWSA-N 447.875 4.037 5 20 IIBD COc1cccc2c1OCC[C@@H]2NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 681980292 VCXPONGEQYATBW-IBGZPJMESA-N 436.414 4.222 5 20 IIBD CC(C)(C)OC(=O)N1CCC(N(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C2CC2)CC1 725800281 HIBJPYGSTACYBG-UHFFFAOYSA-N 443.504 4.009 5 20 IIBD COc1cc(CNC[C@@H](O)c2cccc(F)c2)c([N+](=O)[O-])cc1OCc1ccccc1 725847589 GEIOIBFCWOEREQ-OAQYLSRUSA-N 426.444 4.145 5 20 IIBD Cc1cc(C(=O)COC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])c(C)n1Cc1ccccc1 725936220 VTKXVZAVWXAFDL-UHFFFAOYSA-N 428.391 4.379 5 20 IIBD COc1ccc(-c2ccc(CNCc3ccc(C(=O)N4CCCC4)cc3)o2)c([N+](=O)[O-])c1 726606213 DMVIDPWZZNLQFD-UHFFFAOYSA-N 435.480 4.389 5 20 IIBD CCOC(=O)c1oc2ccccc2c1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 726880094 LGJFSBUTARPMHD-UHFFFAOYSA-N 437.452 4.048 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)c1nc(C)n(-c2c(Cl)cccc2Cl)n1 728380598 GTSJNBBOEBIMKP-UHFFFAOYSA-N 437.239 4.156 5 20 IIBD COc1cc2c(cc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])c(F)c1)oc1ccccc12 731516882 LQYVDJOCOUABPJ-UHFFFAOYSA-N 438.367 4.437 5 20 IIBD O=C(c1ncoc1-c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 732537974 GCWLAGDXWNSJRM-UHFFFAOYSA-N 446.385 4.231 5 20 IIBD CCN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H](c1ccc(C)cc1)c1cccnc1 732964348 WENMPQAQSADJBM-DEOSSOPVSA-N 429.480 4.286 5 20 IIBD COc1cc(-c2nc(COC(=O)CSc3ccccc3[N+](=O)[O-])cs2)ccc1O 733382867 OORIZYFMDACDSH-UHFFFAOYSA-N 432.479 4.268 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] 734416255 PEGBVHXIDCVDJO-UHFFFAOYSA-N 433.486 4.002 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(CSc2nnc(N3CCOCC3)n2-c2cccc(F)c2)c1 735413076 CEUXHJUUGVJWGP-UHFFFAOYSA-N 449.895 4.097 5 20 IIBD O=C(NC1CCC(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1)C1CCCC1 735445619 OIWNXFWHMIESRZ-UHFFFAOYSA-N 441.484 4.158 5 20 IIBD O=C(Cc1ccccc1[N+](=O)[O-])Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 735638333 SOBFETXRMPQXJN-UHFFFAOYSA-N 433.380 4.130 5 20 IIBD O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)C1CCN(C(=O)/C=C\c2ccccc2)CC1 735802504 YEKVUCSZNJWZMB-CLFYSBASSA-N 428.872 4.243 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccc(Br)cc1 736874990 ILOYWCZOWMTTRZ-SNVBAGLBSA-N 441.665 4.045 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc([N+](=O)[O-])cc1Br 739503700 SHMNQJKQVJLQBK-UHFFFAOYSA-N 428.626 4.191 5 20 IIBD C[C@@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 740480232 QJVAWHVIUAIXSP-MJGOQNOKSA-N 448.564 4.252 5 20 IIBD Cn1cc(-c2cccc(C(=O)Nc3ccc([N+](=O)[O-])cc3C(=O)c3ccccc3)c2)cn1 741524785 PNGWLHNTLIDOJI-UHFFFAOYSA-N 426.432 4.479 5 20 IIBD COc1ccc(NC(=O)CNc2ccc(Cl)cc2[C@@H](O)c2ccccc2)c([N+](=O)[O-])c1 741753723 OMFSBQCTKBTQBR-QFIPXVFZSA-N 441.871 4.389 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCc1ccc(Oc2ccccc2F)c(F)c1 741973935 MQTYEJCQDAPIGB-UHFFFAOYSA-N 438.390 4.331 5 20 IIBD CC[C@]1(C)CCCN(C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 742857670 HHIFALUGFCGCAS-OAQYLSRUSA-N 432.498 4.015 5 20 IIBD COc1ccc2cc(CN(C)C(=O)[C@H](C)OC(=O)c3cc([N+](=O)[O-])ccc3C)ccc2c1 742995659 RPQNTXITZHXSIB-INIZCTEOSA-N 436.464 4.269 5 20 IIBD C[C@H](OC(=O)c1ccc2ncccc2c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 743209762 JRQKXCNPKJCFEP-NSHDSACASA-N 433.342 4.346 5 20 IIBD O=C(Cn1ccc([N+](=O)[O-])n1)O[C@@H](c1ccccc1)c1cc(Br)ccc1F 744183620 OQIHNZIYBNJTDO-SFHVURJKSA-N 434.221 4.026 5 20 IIBD O=C(CCn1cccn1)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 744283444 JDOGYAKYDPNJHX-UHFFFAOYSA-N 449.250 4.346 5 20 IIBD CC[C@H](NC(=O)COC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1 744615653 XVAVAJYKQVXXKY-SFHVURJKSA-N 429.860 4.014 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)C1(c2cccs2)CCCCC1 745067294 NAAHJJSCUCZVOG-CQSZACIVSA-N 432.498 4.437 5 20 IIBD CC(C)OC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 745073520 ITCZONNNOAVFQK-OAHLLOKOSA-N 442.468 4.008 5 20 IIBD CC(C)(C)Cc1nc(-c2cccc(C(=O)OCC(=O)Nc3ccccc3[N+](=O)[O-])c2)no1 745185081 PIQRFDMUCPXLFX-UHFFFAOYSA-N 438.440 4.029 5 20 IIBD CCCc1ncc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)s1 745266245 VNGPQIZCDYOZTL-VIFPVBQESA-N 431.392 4.207 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)CC[C@@H]2CC[C@H](C)O2)c2ccccc2)c([N+](=O)[O-])c1 745710705 ULBSGXIFYLBLSQ-SGXKBVARSA-N 426.469 4.474 5 20 IIBD O=C(Nc1ccc2nc(C3CC3)sc2c1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 746376753 MEQSDVPTXUQINO-GFCCVEGCSA-N 440.456 4.213 5 20 IIBD CCc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C)cc2Br)cc1[N+](=O)[O-] 747010353 HRSVRINPHORFOO-LBPRGKRZSA-N 435.274 4.412 5 20 IIBD O=C(c1nc(NCc2ccco2)ncc1Cl)N(Cc1ccccc1[N+](=O)[O-])C1CC1 747106056 PYFRYCSUJBURPF-UHFFFAOYSA-N 427.848 4.048 5 20 IIBD C[C@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NC[C@@H](C)c1ccccc1 747962207 MSLUVJGGVGYNLM-CABCVRRESA-N 439.493 4.184 5 20 IIBD O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCN(Cc2ccc(Br)s2)CC1 749876412 PHDMISQDWVVJCJ-UHFFFAOYSA-N 444.738 4.030 5 20 IIBD O=C(NCCc1ccc(Br)cc1F)c1ccc(Br)cc1[N+](=O)[O-] 750827763 ZLNRSHMLCCSHBS-UHFFFAOYSA-N 446.070 4.231 5 20 IIBD C[C@@H](OC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1 750963733 HWPFSADGVYHCJZ-SECBINFHSA-N 427.638 4.195 5 20 IIBD Cc1ccccc1C1(CNC(=O)c2cc([N+](=O)[O-])ccc2Br)CCOCC1 751106715 BXXNQQREKAGYHT-UHFFFAOYSA-N 433.302 4.144 5 20 IIBD CC(=O)N1CCCc2cc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3Br)ccc21 754994834 VGBXDQHYSYVNPG-UHFFFAOYSA-N 436.237 4.048 5 20 IIBD CC(C)(C)c1ccc([C@H](O)CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1 755808837 ZVGRFLKZHKWCQM-GOSISDBHSA-N 435.318 4.047 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 759076369 PTFJRMXOVXZYSX-UHFFFAOYSA-N 444.444 4.487 5 20 IIBD CC(C)Oc1cc(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)ccn1 759719122 VHAIYRVZPGOEFW-LJQANCHMSA-N 441.484 4.019 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N(CCCO)Cc1cccc(Cl)c1 760869567 ZDNKLMACOHEBBB-UHFFFAOYSA-N 427.682 4.036 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1nnc([C@H]2CCCc3ccccc32)s1 762511665 HXADWXIZVCRHCH-HNNXBMFYSA-N 428.445 4.071 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)Nc1ccc(C)c(C)c1 763811841 ZEJOYIRONOYZRO-OAHLLOKOSA-N 432.498 4.134 5 20 IIBD CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])c2cccnc12 766231999 OZQCXKGEZLGLBW-ZDUSSCGKSA-N 447.403 4.276 5 20 IIBD CC1(C)Cc2ccc(Cl)cc2[C@@H]1OC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 766857612 LFSOPQCVNZMCIU-FQEVSTJZSA-N 442.855 4.382 5 20 IIBD Cc1sc(S(=O)(=O)Nc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)cc1[N+](=O)[O-] 767466663 NAFRICWHZVLIIQ-NSHDSACASA-N 441.531 4.351 5 20 IIBD O=C(c1cccc(C(F)(F)F)c1)N1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 768543087 YEBIPTKSLBIJKG-UHFFFAOYSA-N 427.810 4.225 5 20 IIBD CC(=O)[C@@H](Cc1ccc(Cl)cc1F)OC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 768635061 BMAQPJDMQLDDLT-LJQANCHMSA-N 445.834 4.145 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1Cc1c(Br)cccc1[N+](=O)[O-] 769450425 CROVQQGIDLDZNI-SFHVURJKSA-N 448.317 4.277 5 20 IIBD CC(C)(C)OC(=O)NC1(c2noc(-c3cc(Br)cc([N+](=O)[O-])c3)n2)CCC1 769865250 GUHFVTSBTGTIOX-UHFFFAOYSA-N 439.266 4.311 5 20 IIBD COc1cc(C)c([C@H](C)OC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1C 770017990 ARSXWCBWAKZSMB-GOEBONIOSA-N 432.498 4.191 5 20 IIBD COC(=O)C[C@]1(NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCCOC1 770680246 SNBFUWAAUZZOCX-OAQYLSRUSA-N 434.876 4.242 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C 777926997 JPLDUEIUGGPYBI-ZDUSSCGKSA-N 449.504 4.024 5 20 IIBD Cc1ccc(-c2nc(CC(=O)O[C@H]3CCN(c4ccc([N+](=O)[O-])cc4F)C3)cs2)o1 778803615 AQGUSFACJQRYEF-HNNXBMFYSA-N 431.445 4.123 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 780806777 HSILSONXGHTMKT-XLIONFOSSA-N 449.551 4.495 5 20 IIBD O=C(C[C@@H](O)c1ccc(OCc2ccccc2)cc1)OCc1c(F)cccc1[N+](=O)[O-] 781283606 QHEYMMCAJXSUNG-JOCHJYFZSA-N 425.412 4.480 5 20 IIBD CC(C)COC(=O)Nc1cccc(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 783905458 USRYJCGWBOQVJN-UHFFFAOYSA-N 434.836 4.030 5 20 IIBD CO[C@H]1Cc2ccc(NC(=O)CSc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2C1 784219972 AIYMBGMXSZTUSZ-HNNXBMFYSA-N 426.416 4.458 5 20 IIBD C[C@H](OC(=O)c1cc(Br)ncc1[N+](=O)[O-])c1cccc(Br)c1 784488975 MBTVGUWQFRJLDY-QMMMGPOBSA-N 430.052 4.433 5 20 IIBD Cc1ccc([C@H](C)N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2Br)cc1 784665579 FGVCYUWJPPUXSI-ZDUSSCGKSA-N 434.290 4.132 5 20 IIBD O=[N+]([O-])c1ccc(Br)c(OS(=O)(=O)c2ccccc2C(F)(F)F)c1 786903877 CCONEYKYXDTTOL-UHFFFAOYSA-N 426.166 4.144 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCCc1ccc(Br)cc1F 790555020 QEOOTRPGLRITGA-UHFFFAOYSA-N 433.636 4.190 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2scnc2-c2ccccc2)c(C)c1[N+](=O)[O-] 790634631 DAXARJRAIYKFHE-UHFFFAOYSA-N 434.455 4.044 5 20 IIBD COc1cc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cc([N+](=O)[O-])c1C 792545515 JCYXAOOTYGBNSQ-UHFFFAOYSA-N 428.426 4.220 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Oc1cccc(Oc2cnccn2)c1 795232779 ATEPUIJGTWSXLO-UHFFFAOYSA-N 442.236 4.252 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 800149991 ZYENAFWIIWRFNH-UHFFFAOYSA-N 425.869 4.248 5 20 IIBD COc1ccc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)cc1NC(=O)C1CCCCC1 801902794 JIMNFFAFCSUISL-UHFFFAOYSA-N 430.436 4.096 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 804428815 YCOVXZMOOGURKW-ZACQAIPSSA-N 449.276 4.141 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)O[C@@H](C)c1ccc(SCC(=O)N(C)C)cc1 809319866 RSWJCTFFZSTMBP-AWEZNQCLSA-N 432.498 4.092 5 20 IIBD CSc1cccnc1-c1noc(CN(C)c2cc(Br)ccc2[N+](=O)[O-])n1 809478908 CRUVVBFKNJXCHM-UHFFFAOYSA-N 436.291 4.161 5 20 IIBD O=[N+]([O-])c1cc(F)c(S(=O)(=O)Oc2ccc(Oc3nccs3)cc2)cc1Cl 809823248 JNBRCBBQXGZNOI-UHFFFAOYSA-N 430.822 4.404 5 20 IIBD O=C(Cc1cccc2cccnc12)OCc1cc(I)cc([N+](=O)[O-])c1 811038443 KNEQUHKNVDMQAC-UHFFFAOYSA-N 448.216 4.034 5 20 IIBD COc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1OC 811372869 JJFXTWPIDCCVMF-SECBINFHSA-N 428.224 4.347 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@]2(C)OCCc3sccc32)CC1 812258499 IZJNFBNGDUJTPL-QFIPXVFZSA-N 429.542 4.111 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N[C@H](C)c2ccc(N3CCCNC3=O)cc2)c1Br 812487445 ONTLGCUWWFWRDT-GFCCVEGCSA-N 434.294 4.154 5 20 IIBD C[C@H]1CCCN(c2cc(C(=O)O[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)ccn2)C1 812653358 LXMOOKBYHBDDNQ-LSDHHAIUSA-N 437.456 4.194 5 20 IIBD Cc1cccc(NS(=O)(=O)c2cc(-c3nc(CCC(C)(C)[N+](=O)[O-])no3)ccc2C)c1 812812725 PROAEVNNZRDYNP-UHFFFAOYSA-N 444.513 4.142 5 20 IIBD Cc1ccc(-n2nc(C)cc2NC(=O)COC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc1 815405837 KWDVMSXMRXLEKS-UHFFFAOYSA-N 442.859 4.155 5 20 IIBD CC[C@@H]1c2ccsc2CCN1C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 815511116 WKMCKFIQVRTNOK-OAHLLOKOSA-N 442.415 4.368 5 20 IIBD CC(C)(C)OC(=O)NCCNC(=O)c1ccccc1NCc1ccc(Cl)cc1[N+](=O)[O-] 864026920 LULSDAJGPBIADV-UHFFFAOYSA-N 448.907 4.115 5 20 IIBD CC(C)[C@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)N(C)C1CCCCC1 876753043 HFBQNYHQGLOJOA-KRWDZBQOSA-N 441.322 4.330 5 20 IIBD Cc1ccc(-n2ncc(C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c2C)cc1 900640850 DGYPILXJYZQWRQ-CQSZACIVSA-N 442.859 4.235 5 20 IIBD COc1ccc(CSCC(=O)O[C@@H](C)c2nnc(-c3cccs3)o2)cc1[N+](=O)[O-] 914917823 RPCTUHHYTYJYEX-NSHDSACASA-N 435.483 4.253 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2cc(-c3ccccc3Cl)[nH]n2)cccc1[N+](=O)[O-] 914997606 JFJGOJWTQFJXLI-LBPRGKRZSA-N 428.832 4.131 5 20 IIBD CC1=C(C(=O)N(C)C)[C@@H](c2csc([N+](=O)[O-])c2)NC(=S)N1c1cc(C)cc(C)c1 917375695 SMHWBECLOMQNHQ-GOSISDBHSA-N 430.555 4.071 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])cc1F)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 919569156 DJHQATMFGWHIDF-NRFANRHFSA-N 442.830 4.450 5 20 IIBD COc1ccc(C(NC(=O)CCOc2ccccc2[N+](=O)[O-])c2ccc(OC)cc2)cc1 1115864027 SNWPFLNGOOKNJV-UHFFFAOYSA-N 436.464 4.287 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCO[C@@H](c2ccc(Cl)s2)C1 1318824949 NXHYHESNRGVEGQ-QGZVFWFLSA-N 435.933 4.126 5 20 IIBD Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)C4(F)CCC4)CCC3)cc2)cc1[N+](=O)[O-] 1790525356 RYWJGZZCUMDHKU-UHFFFAOYSA-N 439.487 4.472 5 20 IIBD Cc1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/C(C)C)[nH]n2)cc1[N+](=O)[O-] 1820919409 CPYYMUAYDLHYLA-VQFGERMISA-N 439.516 4.073 5 20 IIBD CC(C)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2cc([N+](=O)[O-])ccc2F)[nH]n1 1821926304 CURFVGWXWHLSFI-LJQANCHMSA-N 445.495 4.128 5 20 IIBD O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCC([C@H]2CCCCN2C(=O)C2CCCCC2)CC1 1826282133 FIBOKTOQGXYYSJ-HXUWFJFHSA-N 443.544 4.114 5 20 IIBD Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)c1 1829997470 IWYVRJYTCKKNLK-XMMPIXPASA-N 449.551 4.379 5 20 IIBD C[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1)c1cccs1 1832141257 ZBDLXNPAAVJVBD-NVXWUHKLSA-N 445.541 4.286 5 20 IIBD O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1ccc(Br)c([N+](=O)[O-])c1 11141985 JXJRACYLFGSMIE-UHFFFAOYSA-N 438.665 4.390 5 20 IIBD C[C@@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)N(c1nccs1)C1CCCCC1 11460061 IVVRFPYHJNFRLY-CQSZACIVSA-N 449.554 4.441 5 20 IIBD CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 16011302 LTGGQXWBADVNEP-UHFFFAOYSA-N 445.819 4.257 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(Oc2ccc(F)cc2)cc1 16577942 CJDNZWXCGPHGLG-UHFFFAOYSA-N 440.383 4.330 5 20 IIBD O=C(CCCc1ccc(Br)s1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 16601088 FJRFRDKHPWJLBN-UHFFFAOYSA-N 438.347 4.090 5 20 IIBD C[C@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(F)(F)F 16720168 QRKHSJPAHMBOEW-NSHDSACASA-N 428.388 4.276 5 20 IIBD O=C(OCc1nnc(-c2ccc(Br)s2)o1)c1ccc([N+](=O)[O-])cc1Cl 18219670 RTULHGKJFFGDPX-UHFFFAOYSA-N 444.650 4.479 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccc(Br)cc2)n[nH]1 21157863 FCSQPPWVEWQXJW-UHFFFAOYSA-N 448.302 4.182 5 20 IIBD Cc1nc(-c2cccs2)c(CC(=O)O[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)s1 22104211 CHSBPECUKZJTEL-SNVBAGLBSA-N 449.485 4.340 5 20 IIBD Cc1nc(CSc2ccc(C(=O)OCC(=O)Nc3ccccc3[N+](=O)[O-])cc2)cs1 23512453 ITVMOXVLGGVDGI-UHFFFAOYSA-N 443.506 4.448 5 20 IIBD O=C(CSc1nccn1Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Br 25213855 ONUIWYWNTMDVCH-UHFFFAOYSA-N 447.314 4.333 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)cc1OC 27402254 LBZJFNLFIZQNIH-LBPRGKRZSA-N 436.848 4.148 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ncc(Cc2ccccc2Cl)s1 29793525 JXUJNUGLGYHDHE-UHFFFAOYSA-N 444.900 4.054 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1 32377398 XJQKDMPJRHQYCB-UHFFFAOYSA-N 427.464 4.174 5 20 IIBD O=C(c1cnc(Cl)c(Cl)c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 36822059 XSBPYJOXHYJYFN-UHFFFAOYSA-N 449.216 4.278 5 20 IIBD COc1ccc(CNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c(OC)c1 43746160 HWJVVLTXQITVLW-UHFFFAOYSA-N 445.522 4.458 5 20 IIBD O=C(Nc1cc(-c2ccoc2)nn1-c1ccccc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 65064732 FQEZWFLNESQXLD-UHFFFAOYSA-N 440.419 4.479 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 71982017 VYCLMHKUJMHCTQ-UHFFFAOYSA-N 439.468 4.395 5 20 IIBD CC(=O)NCCCc1ccc(-c2csc(NC(=O)c3cc(C)cc([N+](=O)[O-])c3)n2)cc1 195690999 IQXQWAAFMFUHBV-UHFFFAOYSA-N 438.509 4.348 5 20 IIBD COc1ccc(NC(=O)Cc2noc(C(C)(C)c3ccccc3[N+](=O)[O-])n2)cc1Cl 426440555 QRSOSBZSQAOHTF-UHFFFAOYSA-N 430.848 4.147 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)[C@H](C)c1cccc(N2CCCS2(=O)=O)c1 426812792 ZYXIZYKJABQCIC-QGZVFWFLSA-N 447.557 4.115 5 20 IIBD C[C@@H](O)C[C@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccccc1 427159803 JSFTUPHBSANFMP-WIYYLYMNSA-N 434.492 4.458 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)N1CCOc2cc(Br)c(Cl)cc21 427403955 KUZZYOKEBULRRG-UHFFFAOYSA-N 427.638 4.059 5 20 IIBD CC1CCN(Cc2ccc(NC(=O)COc3ccc([N+](=O)[O-])c4cccnc34)cc2)CC1 427892049 CHCPPRNPYKUNCR-UHFFFAOYSA-N 434.496 4.392 5 20 IIBD CN(CC(=O)NC(c1ccccc1)c1ccccc1)Cc1c(F)cc([N+](=O)[O-])cc1F 429410196 XPEBHANIPBMCBL-UHFFFAOYSA-N 425.435 4.211 5 20 IIBD CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)cc21 431414098 LUVALLFECXYVER-UHFFFAOYSA-N 440.500 4.423 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1cccc(Cl)c1)C1CCCC1 433874208 IVGMWVMYANMNOB-IBGZPJMESA-N 431.876 4.243 5 20 IIBD COc1ccc(S(=O)(=O)N(C)c2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1 436180951 QYISKOKVILJBSD-UHFFFAOYSA-N 428.466 4.008 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 439490089 FMKQZTDSUCDGBI-WEBUEUPWSA-N 428.489 4.150 5 20 IIBD CC(C)OC(=O)[C@H](C)CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 439650932 RDDTWHBANSJLLW-AUUYWEPGSA-N 433.892 4.105 5 20 IIBD Cc1ccc(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)cc1NC(=O)c1ccccc1 440631081 VJJDRLSBAUEKIO-UHFFFAOYSA-N 426.432 4.956 5 20 IIBD CCc1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cnn1-c1cccc(C(F)(F)F)c1 442211303 DTFPDROOHNENBW-UHFFFAOYSA-N 440.403 4.163 5 20 IIBD Cc1cc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)ccc1C(=O)N(C)C 444103653 VTQBYCCJDDKDBV-UHFFFAOYSA-N 435.430 4.222 5 20 IIBD O=C(Cc1noc(/C=C\c2ccc(-c3ccccc3[N+](=O)[O-])s2)n1)NCc1ccco1 445283138 URXFJNDCMWCGOK-NTMALXAHSA-N 436.449 4.329 5 20 IIBD COc1cc(-c2noc(/C=C/c3ccc(F)cc3[N+](=O)[O-])n2)cc(Br)c1O 445397993 OMXZSQBGKIJGTM-HWKANZROSA-N 436.193 4.431 5 20 IIBD Cc1cc(N2CCCC2)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 446949210 FUFIHILNFOHOSA-UHFFFAOYSA-N 429.420 4.323 5 20 IIBD CCc1nc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)nn1-c1ccccc1Cl 460345228 GAOOZMHIEJHVIN-HXUWFJFHSA-N 443.916 4.279 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 461300720 JUNSOPCJDPGTSM-PBHICJAKSA-N 430.448 4.266 5 20 IIBD O=[N+]([O-])c1cc2c(c(C[S@@](=O)Cc3cc(Br)ccc3Cl)c1)OCOC2 462995068 VHLNQYNZMZGKFK-VWLOTQADSA-N 446.706 4.326 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC(c2c(C)[nH]c3ccccc23)CC1 464047570 QJDVUNGSEDIYJG-UHFFFAOYSA-N 434.496 4.346 5 20 IIBD C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 464229335 RAQFKAYIWZZUON-KUHUBIRLSA-N 427.432 4.032 5 20 IIBD C[C@@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 465645420 HJMVNQLGPVSGMV-JPYJTQIMSA-N 446.507 4.229 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1 469218736 NFGADNJKGPUZLQ-GOSISDBHSA-N 446.916 4.473 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3C[C@H](C)O[C@@H](c4ccsc4)C3)cc2)c(C)c1[N+](=O)[O-] 470738967 WXSCIDWQDZSAFK-VBKZILBWSA-N 440.525 4.120 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1C 470850236 ZHAXOUJBOLGZPQ-UHFFFAOYSA-N 425.485 4.426 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cc1SC 472392842 BRJBRNLBLLQDLK-LLVKDONJSA-N 446.460 4.314 5 20 IIBD Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 473580057 AWKIFBAZGLEMSN-UHFFFAOYSA-N 449.429 4.091 5 20 IIBD CCOc1ccc(C(=O)CCC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1F 474100501 XVEIBRHOOJAXEM-NRFANRHFSA-N 432.473 4.370 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 474568551 ZXBRFOXTVLKSSB-UHFFFAOYSA-N 447.333 4.452 5 20 IIBD O=C(Nc1cccc(CSC2CCOCC2)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 479801816 GZAKYRYEUADDKF-UHFFFAOYSA-N 438.509 4.445 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCC(O[C@H]4CCOC4)CC3)cc2[N+](=O)[O-])cc1 480214548 ONUVTIVEORDRKG-IBGZPJMESA-N 442.537 4.465 5 20 IIBD CN(C[C@@H]1CCCC[C@H]1O)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 481358202 HPHFAFURBJSKOL-ZLGUVYLKSA-N 431.920 4.411 5 20 IIBD O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)nc1-c1ccc(F)cc1 485397562 AVNNHMQRPZCVFO-CTNGQTDRSA-N 436.487 4.091 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCO[C@H]1c1ccccc1 485964954 GMHDPLYJLKXATH-UTKZUKDTSA-N 430.526 4.231 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCC3CC(F)(F)C3)c([N+](=O)[O-])c2)c(C)c1 488437791 WYOBMDANRSNKBP-UHFFFAOYSA-N 425.457 4.470 5 20 IIBD O=C(Cn1cccn1)Nc1cccc(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 490190566 KADGWGPSFSQVDS-RUZDIDTESA-N 441.491 4.309 5 20 IIBD Cn1ccnc1Sc1ncc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1Cl 490398852 JNFQOIPBEWCDHN-UHFFFAOYSA-N 443.916 4.333 5 20 IIBD COc1ccc(-c2noc(CCCC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)n2)cc1 490431966 LEEYUXFFGUCANX-UHFFFAOYSA-N 436.468 4.167 5 20 IIBD COc1ccccc1[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccccn1 491023555 VAFNUFKZVZXNEZ-QHCPKHFHSA-N 432.480 4.462 5 20 IIBD COc1ccc([C@@H](NCCn2cc([N+](=O)[O-])ccc2=O)c2ccc(C(F)(F)F)cc2)cc1 492425438 RXRBHNUNAAWPDX-NRFANRHFSA-N 447.413 4.163 5 20 IIBD O=C(NCC1(c2ccccc2)CCCCCC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 494888367 YLSDUSCHFDOOSW-UHFFFAOYSA-N 425.533 4.430 5 20 IIBD Cc1nncn1-c1cccc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1 497433686 KAUXKUVEMPNHKD-HZPDHXFCSA-N 434.500 4.219 5 20 IIBD O=C(NCC1CCSCC1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 499311396 AJQINPZDJKZGAJ-UHFFFAOYSA-N 431.480 4.089 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 499546286 DOJFKYOUAVZSEC-HXUWFJFHSA-N 434.427 4.264 5 20 IIBD C[C@@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ccc(OCC(=O)NC2CC2)cc1 501467820 PGRZJCSNQQFPLX-OAHLLOKOSA-N 439.512 4.041 5 20 IIBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cccc(-n2nccc2C(F)(F)F)c1 501964204 TXJSWVMLZDCDGR-UHFFFAOYSA-N 448.357 4.213 5 20 IIBD O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)cc1 503708600 OAFFTGGJGLBUCK-NRFANRHFSA-N 445.928 4.089 5 20 IIBD CC(C)(C)C(=O)N1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 506404116 OTKBHEXWBJYNOO-UHFFFAOYSA-N 447.539 4.138 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCNC(C)(C)c1cccc(C(F)(F)F)c1 507952478 RFIOTSXVUSWSOV-UHFFFAOYSA-N 425.407 4.476 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1ccc2ccccc2n1 509061840 ZBJFTFBKJWGANU-UHFFFAOYSA-N 433.205 4.308 5 20 IIBD COc1ccc([C@@H](C)NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(C)c1OC 513415323 RESPVHPYQXAEJP-MRXNPFEDSA-N 443.500 4.234 5 20 IIBD COc1cc(CCNC(=O)Nc2ccc(OC3CCCC3)cc2)c([N+](=O)[O-])cc1OC 515235743 CRJQFDMEPKLNBS-UHFFFAOYSA-N 429.473 4.298 5 20 IIBD O=[N+]([O-])c1cccc(-c2ccc(CNC[C@@H](O)COc3cccc(C(F)(F)F)c3)o2)c1 517549831 SPUQBDUCCCCLKV-QGZVFWFLSA-N 436.386 4.403 5 20 IIBD CCCCc1nc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)cc2[nH]1 518907332 ZPKLYAJXUOLZOH-MRXNPFEDSA-N 441.513 4.119 5 20 IIBD CC[C@@H](C)N(C)CCNC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 520536765 SMFRERBFIZWDIL-OAHLLOKOSA-N 429.542 4.008 5 20 IIBD CN1C(=O)CC[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccc(C(F)(F)F)cc1 522334641 JWKPUUJUBFVVKA-FXAWDEMLSA-N 447.413 4.112 5 20 IIBD CC(=O)N(CCC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)Cc1ccccc1 522394180 WWEUVXVQXYHQGO-UHFFFAOYSA-N 445.475 4.203 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCCc1ccc(Br)s1 522651173 AWXGZWJOJYURIH-UHFFFAOYSA-N 433.711 4.200 5 20 IIBD COc1cc(C(=O)N[C@@H]2CCC[C@H](SC)C2)c([N+](=O)[O-])cc1OCc1cscn1 522667151 UHSCOWDMKBCIHI-OCCSQVGLSA-N 437.543 4.043 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)Nc2cccc3nc[nH]c23)cc1[N+](=O)[O-] 522869067 ZYHMPKVMESAFOY-UHFFFAOYSA-N 429.436 4.020 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)c(Cl)cc1OC 534214797 MAMICVVLFCGJDY-UHFFFAOYSA-N 438.889 4.473 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1 534698663 ZVQJMOPVXACUGZ-UHFFFAOYSA-N 441.846 4.352 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CS(=O)(=O)Cc3coc(-c4cccs4)n3)co2)cc1 536305815 ZFABSZCQYDCSCC-UHFFFAOYSA-N 431.451 4.081 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)c(Cl)c1Cl 537352678 SMHCZJYXTCKHBD-UHFFFAOYSA-N 428.253 4.259 5 20 IIBD COc1ccc(NC(=O)c2coc(-c3ccc(Br)cc3F)n2)cc1[N+](=O)[O-] 541071481 ZSCHUFLSXXYUGE-UHFFFAOYSA-N 436.193 4.412 5 20 IIBD Cc1cc(-c2noc([C@H](C)NCCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2)ccc1F 542619813 BTIKAJMCGIDJTP-AWEZNQCLSA-N 427.436 4.080 5 20 IIBD C[C@H](C(=O)N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F 542653202 JUADNLFWUBFHMB-GWJPWWOOSA-N 425.504 4.351 5 20 IIBD Cc1sc2nc(SC[C@@H](O)COc3ccccc3[N+](=O)[O-])n(C(C)C)c(=O)c2c1C 543118169 LHXBTKODIKWIIP-AWEZNQCLSA-N 449.554 4.096 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1noc(Cc2ccc(OCc3ccccn3)cc2)n1 544532684 PTAMRYJTHUHAPQ-UHFFFAOYSA-N 431.452 4.197 5 20 IIBD Cc1nnc(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)n1C1CC1 544535552 IBUOMEVDXJWUPM-UHFFFAOYSA-N 440.891 4.025 5 20 IIBD C[C@H](C(=O)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1)c1ccc(Cl)s1 544689865 UJNFWGLOIIBGKC-LBPRGKRZSA-N 433.921 4.028 5 20 IIBD COc1ccc(CSCc2nc(Cc3ccc(C(F)(F)F)cn3)no2)cc1[N+](=O)[O-] 544993849 PLRRBEPYJRDKHX-UHFFFAOYSA-N 440.403 4.424 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(Cc3nc4cc(Cl)ccc4s3)no2)ccc1-n1cncn1 545596706 ULCNIRJTIBQWEH-UHFFFAOYSA-N 439.844 4.079 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(c3ncnc4cc(F)c(Br)cc34)CC2)cc1 545872490 LJBHSIBMQPCPAY-UHFFFAOYSA-N 447.264 4.487 5 20 IIBD Cc1cc(Br)cn2cc(CNC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)nc12 547294491 SWRBYNJADOWSSG-UHFFFAOYSA-N 449.280 4.047 5 20 IIBD Cc1nc(-c2ccc(Br)cc2)c(NC(=O)c2ccc([N+](=O)[O-])cc2F)n1C 547937877 PESPNNHYPSQPPX-UHFFFAOYSA-N 433.237 4.458 5 20 IIBD COc1cc(C(=O)Nc2cccc(NCC(F)(F)F)c2)c([N+](=O)[O-])cc1OC(F)F 548715055 RJGODOHXWOLMEI-UHFFFAOYSA-N 435.305 4.431 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCCC4(CCCCC4)C3)n2C[C@H]2CCOC2)c1 550097986 VURRISGTOKBIMQ-GOSISDBHSA-N 425.533 4.441 5 20 IIBD O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 552608346 KCHPLXHCSWJHRW-CQSZACIVSA-N 436.386 4.405 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H](C)c2ccsc2)CC1 556455748 DQBFJTGHYXCVDT-ZDUSSCGKSA-N 438.347 4.246 5 20 IIBD C[C@H](c1ccc(F)cc1)S(=O)(=O)Cc1cc(I)cc([N+](=O)[O-])c1 558586356 ILNMHMHIHWPTKC-SNVBAGLBSA-N 449.241 4.015 5 20 IIBD CCOc1cc(NC(=O)N[C@H](CCO)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OCC 562042507 BNYGKHCJHJONKT-OAHLLOKOSA-N 437.880 4.291 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@@]2(CO)C[C@H]2c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 564014395 ZHIKSHLGPKXNFX-APJQNUAFSA-N 446.507 4.059 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)Cc2ccc(F)c(Br)c2)c1 568112940 CIHWSPGOCXCTTD-NSHDSACASA-N 425.254 4.256 5 20 IIBD O=C(O)c1cc(NCC2(c3cccc(Br)c3)CCOCC2)ccc1[N+](=O)[O-] 570701672 RHSVXBQJPACXQQ-UHFFFAOYSA-N 435.274 4.216 5 20 IIBD COC(=O)c1scc(-c2ccc(C)cc2)c1NC(=O)COc1cccc([N+](=O)[O-])c1 570965666 CZJVPRWVMIUTGW-UHFFFAOYSA-N 426.450 4.436 5 20 IIBD COc1ccc2cc(CNC(=O)C(=O)Nc3ccc(C(C)(C)C)c([N+](=O)[O-])c3)ccc2c1 575757413 ZZKVYLFRAMRZOA-UHFFFAOYSA-N 435.480 4.309 5 20 IIBD CN(c1ccccc1)c1ccc(CNc2ccc(CN3C(=O)CNC3=O)cc2)cc1[N+](=O)[O-] 582209539 TVHASAHAZOKQOT-UHFFFAOYSA-N 445.479 4.027 5 20 IIBD O=[N+]([O-])c1cc2c(O)ncnc2cc1NCc1cccc(-c2nc(CC(F)(F)F)no2)c1 583904907 TWINFZZMKSWAMK-UHFFFAOYSA-N 446.345 4.011 5 20 IIBD CC[C@@H]1CN(C)CCCN1C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 590345109 POOKPFLMIKSXFV-GOSISDBHSA-N 430.936 4.417 5 20 IIBD COc1ccc(-c2nc(C)c(C(=O)N(C)Cc3ccccc3[N+](=O)[O-])s2)cc1OC 603569721 GXNKDLFFVXOPCE-UHFFFAOYSA-N 427.482 4.316 5 20 IIBD CCC(=O)Nc1ccc(C)c(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 603757765 FZTGJLHJDDTNBM-UHFFFAOYSA-N 425.363 4.445 5 20 IIBD O=C(NC1CC1)c1ccc(N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 604270641 FZLQOPUYZWGFQU-QWRGUYRKSA-N 425.329 4.054 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)no1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 608780303 ZSXNQJHNISGIIQ-UHFFFAOYSA-N 427.432 4.320 5 20 IIBD COc1cc(OCC(=O)Nc2ccc(CN3CCc4ccccc43)cc2)ccc1[N+](=O)[O-] 608873621 ANTDFENFUSZCGO-UHFFFAOYSA-N 433.464 4.184 5 20 IIBD CC(C)[C@H](NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 608880155 YAMFWJHWLVKVSD-ACJLOTCBSA-N 437.418 4.245 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)c([N+](=O)[O-])c1 608928371 MIRWMYSBOXLLEB-UHFFFAOYSA-N 441.296 4.256 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(N2CCOCC2)cc1C(F)(F)F 609783887 BEKVJIDHPBALSH-UHFFFAOYSA-N 443.809 4.285 5 20 IIBD COc1cc(C(=O)Nc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)cc([N+](=O)[O-])c1OC 610173411 HVVBTHUEYSXBOA-CQSZACIVSA-N 441.484 4.045 5 20 IIBD O=[N+]([O-])c1cc2c(cc1CNc1cccc(C[S@](=O)Cc3ccccc3)c1)OCCO2 610911431 RNTZVBRQMKONAG-WJOKGBTCSA-N 438.505 4.427 5 20 IIBD O=C(c1ccccc1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC1 611198061 GEINDOZJUUVKBG-UHFFFAOYSA-N 439.537 4.228 5 20 IIBD CC(C)N1CCN(c2cccc(N[C@H](c3ccc([N+](=O)[O-])cc3)c3nccn3C)c2)CC1 611560309 WDTDTHAVRRGASX-HSZRJFAPSA-N 434.544 4.060 5 20 IIBD COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cc1C(=O)O 617688909 RAEIGUSAPVHQQN-UHFFFAOYSA-N 430.482 4.266 5 20 IIBD C[C@H](OC(=O)c1csc(-c2c(F)cccc2F)n1)C(=O)Nc1ccccc1[N+](=O)[O-] 726217795 BQKRJEUBFIGDTM-JTQLQIEISA-N 433.392 4.181 5 20 IIBD CC(C)Oc1ccc(CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c(C(F)(F)F)c1 726518392 MWYWHRGCYNMZPU-UHFFFAOYSA-N 436.390 4.067 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 726520589 GVXJEFUAKFBHQG-UHFFFAOYSA-N 433.486 4.002 5 20 IIBD COc1ccccc1/C(C)=C\C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 727300255 CHELXTAKNXGPOZ-XCTGESOMSA-N 426.469 4.206 5 20 IIBD O=C(Cn1ccc2ccc(Cl)cc21)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730703585 ODHMLNOVHOGGER-KRWDZBQOSA-N 441.871 4.051 5 20 IIBD O=C(CSCc1ccc(Cl)cc1)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730703695 LUNNBMASMRAYPM-QGZVFWFLSA-N 448.928 4.329 5 20 IIBD O=C(OCCCc1nc2ccccc2s1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 732497332 NCERWAWWBPATMI-CQSZACIVSA-N 445.522 4.047 5 20 IIBD CC(C)(C)C(=O)Nc1ccccc1C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 733502547 XHQSZNRUFPQELD-UHFFFAOYSA-N 433.848 4.028 5 20 IIBD O=C(COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)NCc1ccccc1OC1CCCC1 736876126 NPDJYXUWIICKBE-UHFFFAOYSA-N 432.860 4.043 5 20 IIBD CN(Cc1cccc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)c1)C(=O)OC(C)(C)C 737027655 JCZKKIBTQVPZCI-UHFFFAOYSA-N 428.489 4.326 5 20 IIBD Cc1ccc(C2(C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CCOCC2)cc1 745007577 LPFGNNNFBQQOPD-OAHLLOKOSA-N 446.887 4.175 5 20 IIBD O=C(COC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 745240942 KCFYCIVMNCMFFF-NWDGAFQWSA-N 444.312 4.177 5 20 IIBD C[C@H]1Oc2ccccc2N(CCC(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 745344439 CRTXOVXKNBPLJV-CQSZACIVSA-N 443.887 4.195 5 20 IIBD O=C1CCCN1CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c2ccccc21 746861234 FNUVCOQMFHTHHT-AWEZNQCLSA-N 447.413 4.370 5 20 IIBD Cc1c(CC(=O)O[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)cccc1[N+](=O)[O-] 748472275 QTFDKOQFJVTTJT-GOSISDBHSA-N 432.476 4.283 5 20 IIBD Cc1c(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748631110 RIUFHQCLXMGYCK-UHFFFAOYSA-N 440.456 4.435 5 20 IIBD COC(=O)c1cc(Br)cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1Cl 749176414 LHEFFQKGTNBMNH-QPJJXVBHSA-N 439.649 4.449 5 20 IIBD COc1cc(Cl)c(Cl)cc1C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 750442333 VDVXBAASUMAJFB-SNVBAGLBSA-N 427.240 4.403 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)[C@H]1CC(=O)N(c2ccccc2Br)C1 752974876 DKGZPEKCINBTBP-JTQLQIEISA-N 438.665 4.002 5 20 IIBD C/C(=C/C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccccc1OC(F)F 753538907 VSMITGNEBIESIE-XFXZXTDPSA-N 431.351 4.393 5 20 IIBD CCN(CC)C(=O)c1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1 754964604 APMYMJCMJSMOIJ-UHFFFAOYSA-N 438.253 4.231 5 20 IIBD Cc1ccc([C@@H]2C[C@@H](OC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)CCO2)cc1 757516961 XWBJNWSUTNFHME-ICSRJNTNSA-N 440.452 4.055 5 20 IIBD O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1cccc([N+](=O)[O-])c1Br 758160652 PNHASRIJTFIIHX-OAHLLOKOSA-N 431.246 4.337 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCC(c2ccccc2C(F)(F)F)CC1 762188776 FITYOOWIOFCWFO-UHFFFAOYSA-N 432.402 4.370 5 20 IIBD O=C(CCC(=O)N1CCN2C(=O)OC[C@H]2C1)c1ccc2ccc3cccc4ccc1c2c34 764148451 RBMJEADRWLXVAH-LJQANCHMSA-N 426.472 4.210 5 20 IIBD NC(=O)c1cc(Oc2cccc(OC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)ccn1 766640077 CKMLQUSSDQVURD-UHFFFAOYSA-N 447.325 4.119 5 20 IIBD Cc1nc2c(s1)[C@H](N(C)C(=O)c1nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc1O)CCC2 773952909 DKXDABDEIYCKOX-CQSZACIVSA-N 447.904 4.054 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccc3c(c1)C(=O)N(C1CCCCC1)C3=O)CC2 773995514 XTVPFEIHMPFOJQ-UHFFFAOYSA-N 433.464 4.035 5 20 IIBD Cn1cnc2cc(C(=O)O[C@H](c3ccc(Br)cc3)C(C)(C)[N+](=O)[O-])ccc21 774373704 PITMHQXHYBYJJX-QGZVFWFLSA-N 432.274 4.289 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2sc(C3CCCCC3)nc2C)c([N+](=O)[O-])c1 775122323 KSKPWZAZJROGIX-UHFFFAOYSA-N 433.486 4.212 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc2c1N(C(=O)CCOc1ccccc1[N+](=O)[O-])CC2 775295896 DTDLTWVENZGLQG-UHFFFAOYSA-N 427.457 4.300 5 20 IIBD COc1cccc(Oc2ccc(CNC(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)cn2)c1 777946242 CYKFQCCWLNIUMV-UHFFFAOYSA-N 429.379 4.199 5 20 IIBD O=C(NCc1cccc(Cn2cnc3ccccc32)c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 778254136 SUXORUJWDWQDGB-UHFFFAOYSA-N 436.418 4.401 5 20 IIBD O=C(Nc1cccnc1)c1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1 778654127 AVNQBHNPMXSAQG-UHFFFAOYSA-N 429.335 4.063 5 20 IIBD COc1cc(CN2CCC([C@@H](O)c3ccccc3)CC2)c([N+](=O)[O-])cc1OCC(F)F 778995088 QFFOIAHZWGUCGG-QFIPXVFZSA-N 436.455 4.193 5 20 IIBD COc1cc(COC(=O)c2ccc(C(F)(F)F)nc2)c([N+](=O)[O-])cc1OCC(F)F 780061518 DNXBINWDWCSEMB-UHFFFAOYSA-N 436.289 4.018 5 20 IIBD C[C@@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc(-c2ccc(Cl)cc2)no1 781687923 IJKHLGRYKLQDDE-LLVKDONJSA-N 445.819 4.016 5 20 IIBD COc1ccc(NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1Cc1ccccc1 782974666 SYNYEYHSEWMWSB-UHFFFAOYSA-N 439.855 4.425 5 20 IIBD C[C@H](Nc1ccc(C(=O)OCc2nnc(-c3ccco3)o2)cc1[N+](=O)[O-])c1ccccn1 783109646 COQHTBOSLBUULB-ZDUSSCGKSA-N 435.396 4.163 5 20 IIBD Cc1ccc(Nc2nnc(SCCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 783716975 CVBHNOGVELKJRN-UHFFFAOYSA-N 436.540 4.064 5 20 IIBD CC(C)c1ccc(C(=O)Nc2cc(Cl)ccc2OCCS(C)(=O)=O)cc1[N+](=O)[O-] 784125855 OEPMCXPRCAADGT-UHFFFAOYSA-N 440.905 4.047 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1[N+](=O)[O-] 784621296 AMTDVWOBYOUTBD-HZSPNIEDSA-N 438.322 4.079 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 787298057 DPFFHNBPWCEPPC-UHFFFAOYSA-N 445.519 4.498 5 20 IIBD CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1CCC(NC(=O)OC(C)(C)C)CC1 790863150 ZWBLKUXFGWDZJA-UHFFFAOYSA-N 443.903 4.224 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@]3(C)[C@H](C2)C3(Cl)Cl)CC1 791256023 SPCSNYVLFJAFDF-HKUYNNGSSA-N 426.344 4.487 5 20 IIBD CCc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 792474414 UNKNISJBYXJBNI-GFCCVEGCSA-N 435.274 4.412 5 20 IIBD Cc1ccc(Br)c(OS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1F 795239744 WQEBVXLUDXCGRU-UHFFFAOYSA-N 441.234 4.121 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)OCc2ccc(Cl)c(Cl)c2)cc1OC 797638093 WDTVJPIWJIDLOL-UHFFFAOYSA-N 430.240 4.292 5 20 IIBD C[C@@H](OC(=O)[C@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 808228579 UXTLOCYIPAUYOP-XIKOKIGWSA-N 432.395 4.389 5 20 IIBD Cn1cc(CN2CCC[C@@H]2COC(=O)NC2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 809719560 IRAJZFGSTJDLOF-OAQYLSRUSA-N 441.532 4.019 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)c(Cl)cc1Cl 809827887 CXIYMXKUNRIPLQ-MLGOLLRUSA-N 445.324 4.348 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@H]1CCN(c2ccccc2OC(F)F)C1 809916628 QKEBISGCDBHELO-NSHDSACASA-N 426.807 4.250 5 20 IIBD C[C@@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810352597 SXZXBAJIPCAMFA-JTQLQIEISA-N 440.681 4.169 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N[C@@H](c1ccccc1)C1CCCC1 810353551 MEYOHVCSJKDNFE-SFHVURJKSA-N 446.301 4.344 5 20 IIBD Cc1c(C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 813304677 HJPJYEQBIWPORH-UHFFFAOYSA-N 444.381 4.200 5 20 IIBD C[C@H]1C[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C 813543026 HWSMEJWJVKWVGG-JQWIXIFHSA-N 432.304 4.419 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H](O)c1ccc(C(F)(F)F)cc1 813617662 BLWHRFHUZDLWSI-CQSZACIVSA-N 434.823 4.209 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ccc(N2CCCOC2=O)cc1 814350650 SDSINORKNAIYFT-HUUCEWRRSA-N 429.498 4.300 5 20 IIBD O=C(c1cc([N+](=O)[O-])ncc1Br)N1CC(Cc2cccc(C(F)(F)F)c2)C1 816869536 UXXZCTBQNOZPRA-UHFFFAOYSA-N 444.207 4.086 5 20 IIBD C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 816996177 JQWDLLKENHSJRA-KPZWWZAWSA-N 442.365 4.120 5 20 IIBD C[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 841979675 RFGLTRIQXLSFKE-OEMYIYORSA-N 434.536 4.027 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)cc1[N+](=O)[O-] 875037788 BSVVHXPISCUPJZ-UHFFFAOYSA-N 434.380 4.389 5 20 IIBD COc1ccc(CN(C)C(=O)[C@H](OC(=O)c2ccc(SC)c([N+](=O)[O-])c2)C(C)C)cc1 876685810 VSVDQYXIPIGEFN-HXUWFJFHSA-N 446.525 4.165 5 20 IIBD Cc1ccc(NC(=O)c2ccccc2)cc1NS(=O)(=O)c1cc(F)ccc1[N+](=O)[O-] 917744721 VQHHIQNRJHBSCB-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD CCOc1cccc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 919581688 SVIPKZUMRGXNGG-ZDUSSCGKSA-N 441.465 4.301 5 20 IIBD O=C(CCSc1ccc(S(=O)(=O)C(F)(F)F)cc1)Nc1ccccc1[N+](=O)[O-] 1252518460 JDBMOMHUFTWPPE-UHFFFAOYSA-N 434.417 4.009 5 20 IIBD O=C([C@@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1)N1Cc2ccc([N+](=O)[O-])cc2C1 1318866105 OXMNZLAGBAKQNG-HXUWFJFHSA-N 439.471 4.061 5 20 IIBD Nc1c(C(=O)N2CCCCC[C@H]2[C@@H]2CCCCC2=O)cc(Br)cc1[N+](=O)[O-] 1322744633 GCVAADPZKHHDKR-ZFWWWQNUSA-N 438.322 4.084 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1nc(Cc2ccccc2)no1 1337516172 FQKWBUROHVUTSV-UHFFFAOYSA-N 426.498 4.043 5 20 IIBD COC(=O)[C@H]1CCC[C@@H]1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 1339397809 ZHJDAKKJLDXBAR-GJZGRUSLSA-N 448.859 4.121 5 20 IIBD Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1 1787793146 VCXSCSSTLICVHV-UHFFFAOYSA-N 449.463 4.323 5 20 IIBD O=C(NC1(c2ccc(NC(=O)C(Cl)(Cl)Cl)cc2)CCC1)c1ccc([N+](=O)[O-])o1 1791330168 FPZYUOABRWCAOP-UHFFFAOYSA-N 446.674 4.306 5 20 IIBD CCC[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 1800662873 RBCXFTCYDKDOET-FWIIZBITSA-N 443.544 4.159 5 20 IIBD O=C(/C=C/c1ccccc1)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823612362 XDQCDCBRRWIPRN-WAEYIKQSSA-N 437.496 4.135 5 20 IIBD Cc1cc(C(=O)COC(=O)CSc2ccc([N+](=O)[O-])cc2)c(C)n1Cc1ccco1 9352258 YSELYICFTVSABJ-UHFFFAOYSA-N 428.466 4.173 5 20 IIBD CN(C)[C@@H](CNc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])c1cccs1 15171308 ZWSCLOKGUYLMOJ-IBGZPJMESA-N 446.554 4.172 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2ccc(OC(F)F)cc2)c1 16196667 NWKVXNQEVJTOMA-SNVBAGLBSA-N 426.397 4.102 5 20 IIBD O=C(Nc1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccc([N+](=O)[O-])c1 21872000 LIQJZQQSGVCQPD-UHFFFAOYSA-N 432.841 4.268 5 20 IIBD O=C(CCc1c[nH]c2ccccc12)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 22926416 XIVMMBPDPPMPRX-UHFFFAOYSA-N 446.429 4.376 5 20 IIBD COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(-c3csc(C)n3)cc2)c([N+](=O)[O-])c1 30008055 NUVGFLRUCBKFPA-LBPRGKRZSA-N 433.511 4.075 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 32442378 VKNVDZLMLUZHFV-MRXNPFEDSA-N 439.493 4.195 5 20 IIBD COc1cccc(-c2nc(CS(=O)(=O)Cc3cccc([N+](=O)[O-])c3C)cs2)c1OC 61796452 OQSXFWYSPYBKKU-UHFFFAOYSA-N 448.522 4.159 5 20 IIBD O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCO[C@@H](c2ccc(Br)cc2)C1 62514193 HMTRXIWXPMPZHS-QGZVFWFLSA-N 430.258 4.052 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1NCC1(c2ccc3c(c2)OCO3)CCOCC1 109067084 PONPWTSKBMXXEA-UHFFFAOYSA-N 435.274 4.246 5 20 IIBD COc1cc(C(=O)N(C)C2CCN(C)CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 215896927 RJUVNFATBJLCCB-UHFFFAOYSA-N 433.892 4.215 5 20 IIBD COCCNS(=O)(=O)c1cccc(CNCc2c3ccccc3cc3ccccc23)c1 237067089 CCOFXMKFGTVIBE-UHFFFAOYSA-N 434.561 4.208 5 20 IIBD COc1cc(CNCc2cccc(NC(=O)c3ccc(F)cc3)c2)c([N+](=O)[O-])cc1OC 237282439 DVFPVBCNRUTCRX-UHFFFAOYSA-N 439.443 4.293 5 20 IIBD CC(=O)c1ccc(NCc2ccccc2NS(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1 301178224 MDPFSRDUWURJFZ-UHFFFAOYSA-N 425.466 4.210 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC[C@H](c1cccc(Cl)c1)N1CCCC1 301389092 ZBZWKEPQRVNTNW-HXUWFJFHSA-N 430.892 4.454 5 20 IIBD CC(C)c1cc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)n(-c2ncccn2)n1 303295635 BSTGBOGBVABRCM-UHFFFAOYSA-N 435.469 4.070 5 20 IIBD COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl 426293206 XTDGIHLKMUSXPR-UHFFFAOYSA-N 444.793 4.011 5 20 IIBD O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 426826937 UQZJUMPUPMYNTK-PUEVPBCXSA-N 432.480 4.036 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3ncc(C(C)(C)C)s3)CC2)ccc1[N+](=O)[O-] 432226845 QFUGUSPCGXNQBJ-UHFFFAOYSA-N 433.534 4.102 5 20 IIBD O=c1[nH]c(/C=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)nc2cnccc12 434935193 AEXZZWAREMHHSR-UTCJRWHESA-N 439.225 4.419 5 20 IIBD O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 435824600 FHGKZRPUEQSMMY-UHFFFAOYSA-N 447.485 4.354 5 20 IIBD COc1ccc(-c2ccc(CNC[C@]3(O)CCC[C@H](C(F)(F)F)C3)o2)c([N+](=O)[O-])c1 436397911 BELQQEVPDBUVSQ-DJJJIMSYSA-N 428.407 4.437 5 20 IIBD Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437345275 IHOBJYNYGSTOBU-INIZCTEOSA-N 439.415 4.076 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 438818584 LUNWOXBNEJFHDM-UHFFFAOYSA-N 438.465 4.103 5 20 IIBD COCc1nc(CNc2ncc([N+](=O)[O-])c(C)c2Br)c(-c2ccccc2)s1 440641203 ZDHSRTHKVUWGJA-UHFFFAOYSA-N 449.330 4.943 5 20 IIBD CCCN(C(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)c1cccc([N+](=O)[O-])c1 441471134 XUMSEAIOEHNAQF-UHFFFAOYSA-N 429.432 4.452 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(CCc1cccc(F)c1)C1CCCC1 441987507 RDAKYLVLWOUWQE-UHFFFAOYSA-N 427.476 4.303 5 20 IIBD Cc1cn2c(CN(C)C(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)c(C)nc2s1 444282168 BOEUYSQKJVZKHC-UHFFFAOYSA-N 434.496 4.419 5 20 IIBD CC(C)Oc1ccc(CC[C@H](C)NC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 445259026 BREUFNYQEMMZBT-HNNXBMFYSA-N 425.489 4.079 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(/C=C\c3ccc(OC(F)F)c(OC)c3)n2)c1 445582855 GOSFUYJHFLOMEJ-YWEYNIOJSA-N 433.367 4.358 5 20 IIBD Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)CCn2cc([N+](=O)[O-])nc2C)cc1 445947304 SSRUIHDPIBVDQV-UHFFFAOYSA-N 432.436 4.414 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 447505826 GGYHDMIVFMTVLQ-KSFYIVLOSA-N 431.558 4.354 5 20 IIBD CCc1c(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])cnn1-c1cccc(C(F)(F)F)c1 447888943 NHLWPMCMPIYQOH-UHFFFAOYSA-N 433.390 4.073 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)cc1[N+](=O)[O-] 460485699 FLDDUSGNCZKVMI-QILLFSRXSA-N 429.477 4.136 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccccc1OC)C[C@@H]1CCCO1 462438050 RGJVSVMTTPXHBR-KNQAVFIVSA-N 426.513 4.380 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1CNC(=O)Nc1ccccc1 462903011 BHBJOSFHFZMLCH-KNQAVFIVSA-N 438.528 4.366 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(Oc3ccccc3Cl)CC2)c2ncccc12 464215553 NIHOANSANCADTM-UHFFFAOYSA-N 447.900 4.029 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCOC[C@@H]1c1ccccc1 464717142 ZKRPSADYHBKSJM-MRXNPFEDSA-N 426.416 4.306 5 20 IIBD C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl 466290705 YISWICQBZPBVQP-SECBINFHSA-N 431.645 4.234 5 20 IIBD COCCN(C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)[C@@H]1CCCSC1 468602885 QGVAKVCQQAGCDB-SJLPKXTDSA-N 444.557 4.147 5 20 IIBD Cc1ccc2c(c1)nc(CNC(=O)c1ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c1)n2C 468862557 GKHWWIPLNIZAQH-MRXNPFEDSA-N 444.495 4.288 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)NC(C)(C)c2cccc(Cl)c2F)cc1[N+](=O)[O-] 471652473 JSIPLZRXSUMLSE-UHFFFAOYSA-N 449.895 4.332 5 20 IIBD Cc1cc(C)n(-c2ccccc2CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n1 472199620 NWTJWTRLPSPWJV-HNNXBMFYSA-N 428.876 4.134 5 20 IIBD C[C@@H](NC(=O)Nc1cc(Br)ccc1-n1cccn1)c1cccc([N+](=O)[O-])c1 472753719 PRTBOSVZIXMRHC-GFCCVEGCSA-N 430.262 4.426 5 20 IIBD CN(CCOc1cccc(CNc2nc3ccccc3cc2[N+](=O)[O-])c1)C1CCOCC1 473514419 RRTLARUZRFQHCE-UHFFFAOYSA-N 436.512 4.245 5 20 IIBD O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 474694856 XMBDBHFRIIVJBR-UHFFFAOYSA-N 438.831 4.055 5 20 IIBD CCC(=O)[C@H]1CCCCN1C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 477634395 JGYORNRKBLQDIR-OAHLLOKOSA-N 425.272 4.061 5 20 IIBD Cc1sc([C@H](C)NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)nc1-c1ccc(Cl)cc1 479202129 BBMITDZALDEAGF-NSHDSACASA-N 433.921 4.489 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)c1C 481591294 KOCUWAAVNBYQPC-UHFFFAOYSA-N 431.514 4.029 5 20 IIBD O=C(NCc1ccccn1)c1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 482850924 VBAMEJQSGYICCW-UHFFFAOYSA-N 432.461 4.387 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2Sc2nccn2C)cc1SC 483465880 DLVQYKWLASJVCX-UHFFFAOYSA-N 430.511 4.462 5 20 IIBD Cc1c(CNC(=O)Nc2cc(C)n(CCCOc3ccc(F)cc3)n2)cccc1[N+](=O)[O-] 484491380 LFQCADXRADENBT-UHFFFAOYSA-N 441.463 4.338 5 20 IIBD C[C@H](Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(NC(=O)c2ccncc2)cc1 486971953 RGJVEUMYESDBDD-AWEZNQCLSA-N 430.424 4.465 5 20 IIBD Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] 489544001 BOKQGGNBVOVJNX-MRVPVSSYSA-N 436.291 4.003 5 20 IIBD CSc1ccc(C(=O)NC2CCN(c3nc4ccccc4s3)CC2)cc1[N+](=O)[O-] 489977142 AQJYUVDJNHUSEV-UHFFFAOYSA-N 428.539 4.325 5 20 IIBD Cc1nn(-c2ccccc2)c2nc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)ccc12 490431508 IKZHQXRHDRGJAT-UHFFFAOYSA-N 427.464 4.442 5 20 IIBD CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 490873983 FDMLIVZISBKSJT-UHFFFAOYSA-N 433.530 4.221 5 20 IIBD COc1ccc(-c2cc(NCc3ccc(-c4cccc([N+](=O)[O-])c4)o3)n(CCO)n2)cc1 492176731 UODUNCADXYXEPM-UHFFFAOYSA-N 434.452 4.331 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)Nc1c(Br)cc(F)cc1Br 493863163 CUYBJQUYJHQXDM-UHFFFAOYSA-N 448.042 4.276 5 20 IIBD COc1cc(C(=O)N(C)Cc2ccccc2N2CCCC2)c([N+](=O)[O-])cc1OC(F)F 493876384 GWJGNFIYYRYWGY-UHFFFAOYSA-N 435.427 4.077 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N[C@@H]3CCOC4(CCOCC4)C3)c([N+](=O)[O-])c2)cc1 493892650 XWBXYFXSORFPOZ-LJQANCHMSA-N 425.485 4.296 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc3nc(C(C)C)sc3c2)cc1[N+](=O)[O-] 493916440 JUXOMHVRUZXJAB-ZDUSSCGKSA-N 426.498 4.452 5 20 IIBD Cc1nn(CCC(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCCO2)c(C)c1[N+](=O)[O-] 494255334 AALDUOBJIRKUQM-INIZCTEOSA-N 436.896 4.038 5 20 IIBD COc1ccc(CNC(=O)Nc2nc3c(Br)cccc3s2)cc1[N+](=O)[O-] 494439320 JYLMMHHYVCFNSS-UHFFFAOYSA-N 437.275 4.297 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(C(=O)NCC(C)C)cc2C)cc1[N+](=O)[O-] 495640170 PEFSFERTIBIKGR-UHFFFAOYSA-N 445.541 4.170 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 498834119 MORMBLKXMQSOMM-GFCCVEGCSA-N 439.438 4.406 5 20 IIBD C[C@@H](NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccnc(O)c1 502207828 NGEUMJPHFKTYBM-CYBMUJFWSA-N 426.860 4.452 5 20 IIBD COc1ccc(CNC(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)cc1[N+](=O)[O-] 502303644 GEIRNLBPVNSHEZ-LJQANCHMSA-N 440.887 4.435 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCC[C@H](c2ncc3n2CCCC3)C1 505141064 UWZKAIRPUMIKRK-INIZCTEOSA-N 444.510 4.373 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(CN2CCO[C@H](C)C2)c1 505952370 HISDFXRHPQSTRL-QGZVFWFLSA-N 443.569 4.248 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 508038106 KJZOACTYCPPMTQ-HNNXBMFYSA-N 447.944 4.104 5 20 IIBD Cn1cnc(-c2ccc(Br)cc2)c1NC(=O)CCNc1ccccc1[N+](=O)[O-] 508349647 NZBAKSQWSDFZCG-UHFFFAOYSA-N 444.289 4.199 5 20 IIBD O=C(Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccc([N+](=O)[O-])cc1F 508727616 SOSJGPKWPSBLCR-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(Br)c2cccnc12 509380091 UPEZJTDKHKFJBQ-UHFFFAOYSA-N 442.678 4.360 5 20 IIBD Cc1cc(N2CCc3c(ncn3-c3ccc(F)cc3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 511878701 ZVXKWMIFCVICHQ-UHFFFAOYSA-N 430.443 4.248 5 20 IIBD CCOc1cccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2I)c1 511986637 HKYHMQALAUVRNU-NSHDSACASA-N 440.237 4.089 5 20 IIBD CO[C@@H](CNC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)c1ccccc1 517480145 QEWSSPYSNCFVRF-QHCPKHFHSA-N 447.491 4.009 5 20 IIBD O=C(Nc1ccccc1)Nc1cccc2c1CCN(C(=O)CNc1ccccc1[N+](=O)[O-])C2 517604455 ZECNFHUOQMDVBU-UHFFFAOYSA-N 445.479 4.236 5 20 IIBD CC[C@@H]1CCCN(C(C)(C)CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 518437790 RDNWRZNYOHNWFN-CQSZACIVSA-N 431.455 4.166 5 20 IIBD O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 520698277 SUASPSZEWZALOF-QZTJIDSGSA-N 442.365 4.325 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1 521081821 XKOJCVMBKJYNIM-UHFFFAOYSA-N 448.932 4.107 5 20 IIBD O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N(Cc1cccs1)c1ccc2c(c1)OCCO2 521139989 FQAOKFMGONWQDZ-UHFFFAOYSA-N 436.449 4.151 5 20 IIBD CC(C)NC(=O)c1ccc(N[C@@H]2CCN(c3ccccc3Br)C2)c([N+](=O)[O-])c1 521960177 JLAPRKHFEBZUBG-OAHLLOKOSA-N 447.333 4.186 5 20 IIBD Cc1nc(-c2ccccc2)c(NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])s1 522667469 JPWPCUXFCDQWMX-UHFFFAOYSA-N 430.873 4.049 5 20 IIBD Cc1nn(C)c(C(=O)NCc2ccc(Br)cc2Oc2ccccc2)c1[N+](=O)[O-] 522675994 GVRYZROVERULEK-UHFFFAOYSA-N 445.273 4.122 5 20 IIBD Cc1cccc(C(=O)Nc2ccc(Oc3ccc(S(C)(=O)=O)cc3)cc2)c1[N+](=O)[O-] 523257447 VXMCXZAAJBOLOO-UHFFFAOYSA-N 426.450 4.351 5 20 IIBD COC(=O)[C@@H](C)CNC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 523911110 QJDVCMGSGLKUTN-NSHDSACASA-N 442.415 4.304 5 20 IIBD C[C@H](c1cccc(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1)N1CCOCC1 524830351 QXQFEZCITNTOAB-GOSISDBHSA-N 426.517 4.132 5 20 IIBD O=C(C[C@@H](Cc1ccccc1)c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 525151197 GHXLIKYLFFHNDG-JOCHJYFZSA-N 430.508 4.055 5 20 IIBD CC(=O)N(CCc1ccccc1)CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 534179361 CTCLGXBDXAKVGP-UHFFFAOYSA-N 431.492 4.219 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 536129144 QDXRWGGPNQYELE-UHFFFAOYSA-N 436.449 4.152 5 20 IIBD CCCc1cc(NC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)n(C)n1 537859204 WABRHQGDXDFKGK-UHFFFAOYSA-N 438.509 4.486 5 20 IIBD C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](C)[C@H](OC1CCOCC1)c1ccccc1 537946351 AVIAIBGRPAVRPC-GGUMNFRJSA-N 441.528 4.227 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 540473666 LWOJUMJZTJTCCG-MRXNPFEDSA-N 446.504 4.271 5 20 IIBD CNC(=O)c1ccc(OC)c(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)c1 542541063 ACOYLISVVQAOKW-UHFFFAOYSA-N 443.525 4.498 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CCC(O)(C(F)(F)F)CC1 543641098 KUZVIULQTBKZPZ-UHFFFAOYSA-N 432.464 4.407 5 20 IIBD CCc1ccc([C@H](NC[C@H](O)COc2ccc(F)c(F)c2)c2ccc([N+](=O)[O-])cc2)o1 544361156 YEIONNRPKLFNME-KSFYIVLOSA-N 432.423 4.147 5 20 IIBD C[C@@H](C(=O)N1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1)c1ccc([N+](=O)[O-])cc1F 544493602 XGOVLZQDYPBFJM-CABCVRRESA-N 446.454 4.037 5 20 IIBD CCC[C@@H](NC(=O)c1ccccc1)c1noc(-c2cc(C(=O)OCC)cc([N+](=O)[O-])c2)n1 546491897 RRSGNKWHZIQLOE-GOSISDBHSA-N 438.440 4.093 5 20 IIBD Cc1oc(-c2ccccc2)c(C(=O)NCCCNc2ncnc3ccc([N+](=O)[O-])cc23)c1C 554678656 CARJDBHXDZURCC-UHFFFAOYSA-N 445.479 4.647 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 555889305 OXDXWSJLMFJFTD-VWLOTQADSA-N 445.722 4.450 5 20 IIBD C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 567640682 DTHMNKZEUJSEAN-CYBMUJFWSA-N 438.513 4.184 5 20 IIBD COc1cc(C(=O)N(c2cccc(F)c2)C2CCOCC2)c([N+](=O)[O-])cc1OC(F)F 571725517 YQRKQEKGZRWEQC-UHFFFAOYSA-N 440.374 4.170 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3-n3cccn3)no2)ccc1[N+](=O)[O-] 573841698 KODJNJDEBRGKLD-FQEVSTJZSA-N 444.451 4.116 5 20 IIBD CC(=O)c1cc(N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)ccc1[N+](=O)[O-] 574422601 NULBAASTJWABGA-UHFFFAOYSA-N 440.500 4.382 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(N2N=C(Cc3ccccc3)CC2=O)cc1 582278391 FWQNQFDTGPGBAG-UHFFFAOYSA-N 442.475 4.202 5 20 IIBD O=C(CCc1nnc(-c2ccccc2)o1)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 589250941 JCTTWRXXXKQRNQ-UHFFFAOYSA-N 442.431 4.447 5 20 IIBD Cc1cc(C(F)(F)F)ncc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 589557691 JOMUBZWNOBTCOU-UHFFFAOYSA-N 430.191 4.425 5 20 IIBD Cc1cccc(OCc2nnc(S[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)o2)c1 595296816 LGZFIZUJUKGSPT-AWEZNQCLSA-N 428.470 4.293 5 20 IIBD Cc1cccc2sc(C(=O)N3CCN(C(=O)c4ccc([N+](=O)[O-])s4)CC3)c(Cl)c12 603642092 NNSPNSQRSOKYGS-UHFFFAOYSA-N 449.941 4.431 5 20 IIBD O=C(Nc1ccc(F)c(F)c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 603645111 ZGUPBWKXBGWFJE-UHFFFAOYSA-N 430.333 4.246 5 20 IIBD O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 603659756 ZXOCPBGLCWSJCR-UHFFFAOYSA-N 430.449 4.409 5 20 IIBD C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1=O 603818781 UDMOWNUSBDPFDU-PBHICJAKSA-N 436.493 4.267 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC[C@@H](OCC(F)(F)F)C1 603870351 ULIWHLCOSLGSJG-LLVKDONJSA-N 434.212 4.453 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCO[C@H](c4cccc(F)c4)C3)cc2[N+](=O)[O-])C1 608965382 XHYDLSYDOUDVII-MFEFFIJZSA-N 441.503 4.430 5 20 IIBD Cc1nnc([C@H]2Cc3ccccc3CN2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)o1 609193226 UVNDQFWYSFZGTQ-HXUWFJFHSA-N 431.452 4.283 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 609293057 XQAFZLGYELXVPP-SFHVURJKSA-N 442.274 4.366 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Oc3ccccc3)nc2)no1 609475336 MRQFUINJFGBTJU-AWEZNQCLSA-N 431.408 4.323 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1CN1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 609705279 PINLZIWYUMFZHT-UHFFFAOYSA-N 448.310 4.269 5 20 IIBD C[C@H](Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C(=O)NC(=O)NCc1ccccc1 609769624 URDCBRGUUSYNPY-INIZCTEOSA-N 434.452 4.214 5 20 IIBD Cc1cc(Cl)ccc1NC(=O)CSCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 609770645 GFWDCXFIYMDYFL-UHFFFAOYSA-N 435.889 4.227 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2cnn(CC(F)(F)F)c2)cc1[N+](=O)[O-])c1ccccn1 609816162 QTGJPWQWACWDNC-LBPRGKRZSA-N 434.378 4.174 5 20 IIBD CC(C)(C(=O)N1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1)c1ccc([N+](=O)[O-])cc1 610063370 DCTZVNRUPLPALI-MRXNPFEDSA-N 442.491 4.072 5 20 IIBD Cn1c(SCCn2cc([N+](=O)[O-])cn2)nc2scc(-c3ccccc3Cl)c2c1=O 610431047 YWSZCUBEZBLUDW-UHFFFAOYSA-N 447.929 4.212 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1CCO[C@@H]([C@H]2CCCO2)C1 613400910 BBDYJHJDFNEEPO-RTBURBONSA-N 448.928 4.419 5 20 IIBD CCn1c(SCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])nnc1-c1ccncc1 619242532 ZCEKZTTUWGCCSV-UHFFFAOYSA-N 437.428 4.171 5 20 IIBD COc1ccc(-c2nnc(Sc3c([N+](=O)[O-])ncn3C)n2C2CCCCC2)cc1OC 619672843 NBRJBTHKBODEST-UHFFFAOYSA-N 444.517 4.260 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] 725936921 LLMBFTRZVSYUGZ-VIFPVBQESA-N 428.775 4.027 5 20 IIBD COc1cc(COC(=O)c2cn(C)nc2C2CCCCC2)c([N+](=O)[O-])cc1OC(F)F 726837239 YSZBZUXVRYVFBN-UHFFFAOYSA-N 439.415 4.343 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)cc1Br 736421060 PWFZSHCALILBEK-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD CN(C(=O)c1ccncc1)c1ccc(CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 736954685 WUGSORZGOGPJPT-UHFFFAOYSA-N 439.859 4.242 5 20 IIBD O=C(Nc1ccc(N2CCCC2)c(F)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 743115085 TUJQGROXOQLBPP-UHFFFAOYSA-N 428.464 4.409 5 20 IIBD CC(=O)c1cc(Cl)ccc1OS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 743338240 BHTMEJBMBPTESN-UHFFFAOYSA-N 448.678 4.289 5 20 IIBD Cc1csc(COC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n1 744312285 ITYFIOQHUFIVPH-UHFFFAOYSA-N 434.477 4.498 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1cc(O)ccc1O 745077512 NADJJPUZYJAREV-LJQANCHMSA-N 442.811 4.196 5 20 IIBD CCc1ccc(-c2csc(NC(=O)COC(=O)Cc3cccc([N+](=O)[O-])c3)n2)cc1 745334418 URYBGDCZUQJNCL-UHFFFAOYSA-N 425.466 4.005 5 20 IIBD O=C(COC(=O)c1ccc(OC2CCC2)cc1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 745671810 HZVRBECBSDDMKJ-UHFFFAOYSA-N 438.358 4.340 5 20 IIBD CCC[C@@H](C)CC(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 748607684 SQQXKYYMPGBBTA-COOUDCDJSA-N 439.921 4.227 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CCO[C@@H](c2cccc(F)c2)C1 749419013 KSAWLUCVLQZEIF-OAHLLOKOSA-N 443.656 4.364 5 20 IIBD Cc1cc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)ccc1N1CCSCC1 749817958 JDJCCLORDCFYSD-UHFFFAOYSA-N 437.525 4.109 5 20 IIBD C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 749874730 VTEOAFYFTMUEGQ-CYBMUJFWSA-N 430.917 4.377 5 20 IIBD COc1cc(-c2noc(COC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)ccc1C 750026791 DTUYHWCAVVMILA-LBPRGKRZSA-N 447.831 4.126 5 20 IIBD CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)CC2 750644283 PUAFHFVBAVUVDH-ICSRJNTNSA-N 446.548 4.101 5 20 IIBD Cn1c([C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2Br)nc2ccccc21 751109152 NVAOULUUFPZNMH-QGZVFWFLSA-N 429.274 4.221 5 20 IIBD O=C(c1ccc(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1)N1CCCCCC1 751270867 CWYKBKPOLCBHLV-UHFFFAOYSA-N 437.905 4.065 5 20 IIBD CC(C)c1cccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])c(Br)cc2F)c1 751690686 CWNIZWVOOIZQNV-UHFFFAOYSA-N 439.237 4.415 5 20 IIBD Cc1cc(CCC(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)ccc1Br 751721126 XETGPRMQNSBHLC-UHFFFAOYSA-N 436.258 4.208 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)cc1[N+](=O)[O-] 752491272 NCMNRPIYIFOEOB-APWZRJJASA-N 427.501 4.389 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)cc1[N+](=O)[O-] 753066013 NTUJBXVWWHGHSH-MRXNPFEDSA-N 436.877 4.085 5 20 IIBD O=C(COc1ccc2oc3ccccc3c2c1)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 753223240 ITPNYTMJASSPHG-UHFFFAOYSA-N 446.415 4.006 5 20 IIBD C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 755017699 DSMDYDYFBYBYBM-MMRAYRKESA-N 433.804 4.130 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(CNCc2sc(N3CCOCC3)nc2-c2ccccc2)c1 756900240 LICGHOVNCVBHHV-UHFFFAOYSA-N 444.944 4.498 5 20 IIBD Cc1nc(COc2cccc(C(=O)OCc3cc([N+](=O)[O-])ccc3OC(C)C)c2)no1 758786876 MYDODTNVSSTAQR-UHFFFAOYSA-N 427.413 4.009 5 20 IIBD O=C(c1ccccc1C(F)(F)F)N1CCN(c2ccc([N+](=O)[O-])cc2OC(F)F)CC1 760473978 AHPGDJQSMOLMLL-UHFFFAOYSA-N 445.344 4.177 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760542296 MORNMMBXSKWIKS-KRWDZBQOSA-N 445.472 4.473 5 20 IIBD C[C@@H]1C[C@@H](C(=O)O[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)CCC1=O 761462774 HLRZRGPDLSKMQU-AFBRZQFHSA-N 444.871 4.477 5 20 IIBD O=[N+]([O-])c1ccc(Oc2ccc(-c3noc(CS(=O)(=O)C4CCCC4)n3)cc2)cc1 761857339 GRHCKFVBTQJWIE-UHFFFAOYSA-N 429.454 4.295 5 20 IIBD Cc1ccc([C@@](O)(Cc2noc(Cc3ccc([N+](=O)[O-])cc3Cl)n2)C(F)(F)F)o1 763309027 YEEXRIDLQDOZMZ-INIZCTEOSA-N 431.754 4.116 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1SCCO)C(=O)Nc1cccc2ccccc12 763742423 AVUMLODREFIPLT-AWEZNQCLSA-N 440.477 4.016 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCC(c3cccc(F)c3)CC2)ccc1Br 765195235 IZONHBPQAVXWDH-UHFFFAOYSA-N 443.294 4.065 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 765524350 KOEBWTRTUOBLMK-HKUYNNGSSA-N 439.512 4.334 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CC2(CCC2)c2cc(Br)ccc21 766053043 QWRGHHQGCJMNHZ-UHFFFAOYSA-N 441.278 4.127 5 20 IIBD Cc1sc(=O)n(CC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1-c1ccc(F)cc1 768945377 PVHRASLNDBDDPN-UHFFFAOYSA-N 441.484 4.124 5 20 IIBD CC(C)OC[C@@H]1CN([C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)CCO1 770706604 ADFLAISOQPVLNO-RXVVDRJESA-N 447.919 4.054 5 20 IIBD COc1cc(C(=O)OCc2ncc(Cl)s2)c([N+](=O)[O-])cc1OCc1cscn1 772043203 KZQDOSCYYOLKJZ-UHFFFAOYSA-N 441.874 4.106 5 20 IIBD O=C(O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])[C@@H]1CC(c2cc(F)ccc2F)=NO1 776131226 DWGPEHKOZNSYCQ-LEWJYISDSA-N 439.374 4.094 5 20 IIBD CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1Cl 778091221 DEMQNNGMNMKFPL-VLIAUNLRSA-N 430.888 4.291 5 20 IIBD COCC[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1ccc(C)o1 778489256 QKGKIFYNEGNVGX-LBPRGKRZSA-N 431.670 4.420 5 20 IIBD CC[C@H](C)n1ncc2c(C(=O)O[C@@H]3CCN(c4ccc([N+](=O)[O-])cc4F)C3)cc(C)nc21 778811292 QOBVBXXGJRTKMH-GOEBONIOSA-N 441.463 4.194 5 20 IIBD CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C(C)(C)C1 780811052 UOWRFROUFZEUPC-UHFFFAOYSA-N 435.524 4.153 5 20 IIBD CC(C)CCC[C@H](C)NC(=O)COC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781256328 BZVQUOPWCPGILV-AWEZNQCLSA-N 444.478 4.447 5 20 IIBD Cc1nc(CN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c2ccc(F)cc2)cs1 781620031 OVEWJKCAURPPAC-HXUWFJFHSA-N 440.456 4.225 5 20 IIBD Cn1c(C(C)(C)C)nc2cc(NC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc21 781761515 JFEWGSZHKSOXDD-UHFFFAOYSA-N 425.445 4.259 5 20 IIBD Cc1cc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)ccc1N1CCOCC1 783074977 WRWHRXSWKTVTDU-UHFFFAOYSA-N 438.528 4.228 5 20 IIBD C/C(=C/C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 783862577 LZSBBTFQTQHZTJ-LJQBUTKESA-N 441.440 4.106 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCCc1ccc(Cl)cc1[N+](=O)[O-] 784102885 DPHWZIFCIZKIDV-UHFFFAOYSA-N 430.269 4.261 5 20 IIBD Cc1cccc(CCCOCCOC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)n1 790108245 SPODFSGMVZQLGY-UHFFFAOYSA-N 437.290 4.175 5 20 IIBD CN(C)c1cc(F)c(C(=O)Nc2ccccc2NC(=O)Cc2cccs2)cc1[N+](=O)[O-] 791359545 ZPKUNJWXPWMSJC-UHFFFAOYSA-N 442.472 4.295 5 20 IIBD Cc1cc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C(=O)NCC(F)(F)F)cc1F 793984772 APVYUDAZZUSVJN-UHFFFAOYSA-N 433.745 4.240 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2c(-c3cccc(Cl)c3)noc2C)c([N+](=O)[O-])c1 796388806 JXEQVHOOBWLPRX-UHFFFAOYSA-N 445.815 4.016 5 20 IIBD CCOc1ccc(NCc2cc(Cl)ccc2[N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 796394717 HKBGDRWXGWPIBL-UHFFFAOYSA-N 439.921 4.044 5 20 IIBD C[C@@H](OC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(N2CCCC2)cc1 796441733 KZTWCZHSXAZEOA-MRXNPFEDSA-N 425.485 4.043 5 20 IIBD CCCN1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)c(OCC)c2)CC1 797757062 PSDPANUFKXWMGS-UHFFFAOYSA-N 446.935 4.431 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H](Cc1ccccc1)c1ccccc1F 800607349 GNFZRAJRSMACGE-IBGZPJMESA-N 439.418 4.220 5 20 IIBD C[C@@]12CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)C[C@H]1C2(Cl)Cl 803547760 APKBPHIMNWTDJJ-ZWNOBZJWSA-N 426.069 4.152 5 20 IIBD COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 804365734 GJXORXHXZBOURN-SFHVURJKSA-N 446.447 4.197 5 20 IIBD O=C1CCCCC[C@H](C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)C1 813416522 PVNAXLLSFHNAGF-HKUYNNGSSA-N 430.501 4.062 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N[C@@H](C)c2ccc(N3CCCOC3=O)cc2)cc1[N+](=O)[O-] 814308521 LWNVNBGMQMERPV-HOTGVXAUSA-N 426.473 4.371 5 20 IIBD O=C(CCNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)Nc1cc(Cl)cc(Cl)c1 814934492 AAWNUOAMHZTYCH-UHFFFAOYSA-N 439.255 4.299 5 20 IIBD COc1c([N+](=O)[O-])cc(NC[C@H](C)N(C)c2ccccc2)c([N+](=O)[O-])c1Br 917067684 UAKPZJJTDDKGMV-NSHDSACASA-N 439.266 4.211 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)Cc1cccc(Br)c1 917841314 NAHILGIGGPKCEQ-LLVKDONJSA-N 426.698 4.470 5 20 IIBD CCc1ccc(N2C(=S)N[C@@H](c3ccc(C)c([N+](=O)[O-])c3)C(C(=O)N(C)C)=C2C)cc1 918030722 VNHJRTNOHHWNMP-NRFANRHFSA-N 438.553 4.264 5 20 IIBD COCCOc1ccc(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1Cl 918747948 SYNFSTUGFIEPKD-LLVKDONJSA-N 428.272 4.366 5 20 IIBD CC(C)[C@@H](OC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1CCCCC1 920778620 OBYUAVYEEDTBFX-FZKQIMNGSA-N 426.897 4.032 5 20 IIBD O=[N+]([O-])c1ccc(CSc2nnc(NC[C@@H]3CCCO3)s2)c(Br)c1 1116672190 OVDJMUJKSRYORE-NSHDSACASA-N 431.337 4.092 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N2CC(Cc3ccccc3C(F)(F)F)C2)c([N+](=O)[O-])c1 1319607683 XBEDDJJFNWPAHR-UHFFFAOYSA-N 444.413 4.257 5 20 IIBD C[C@H]1CCc2ccccc2N1CCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 1321770825 VDSBEJPYUNIGES-AWEZNQCLSA-N 437.418 4.107 5 20 IIBD COc1cc(-c2nnc(COc3ccccc3[N+](=O)[O-])o2)ccc1OCc1cscn1 1322206294 XNIIBAKTHICMJB-UHFFFAOYSA-N 440.437 4.268 5 20 IIBD Cn1cc([C@@H](O)C[C@H]2CCCN2Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cn1 1341603704 BLEFXNOPEVPWIY-UZLBHIALSA-N 430.892 4.330 5 20 IIBD Cc1cc(Cl)ccc1OCCCc1nnc(-c2cn(-c3cccc([N+](=O)[O-])c3)nn2)o1 1345694084 KYGSYQQAWRZIJM-UHFFFAOYSA-N 440.847 4.199 5 20 IIBD Cc1ccc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccc([N+](=O)[O-])o4)cc3)CCC2)nc1 1786206646 XXDCWHDQDJIHQL-DHZHZOJOSA-N 446.463 4.352 5 20 IIBD C/C=C/C(=O)NC1(c2ccc(NC(=O)Cn3ccc4ccc([N+](=O)[O-])cc43)cc2)CCC1 1786276911 PEFXLFVNNVJZBW-DUXPYHPUSA-N 432.480 4.260 5 20 IIBD CC(C)(F)C(=O)Nc1ccc(C2(NC(=O)Cc3cc(F)ccc3[N+](=O)[O-])CCC2)cc1 1787943227 KVRJQHKQEUTYCX-UHFFFAOYSA-N 431.439 4.159 5 20 IIBD Cc1c[nH]cc1C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3F)CCC2)cc1 1788732657 OFFKEDOMJXMUBI-UHFFFAOYSA-N 436.443 4.432 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(C2(NC(=O)c3cnco3)CCC2)cc1 1792315381 ITXXEQBIGXKFOW-IZZDOVSWSA-N 432.436 4.044 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2ccccc2o1)c1cc(F)cc([N+](=O)[O-])c1 1797487635 BMMOAMQWKUUAOH-BCDXTJNWSA-N 437.427 4.046 5 20 IIBD CCCCC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@H]1c1cccnc1 1812692398 DDYADTUKZBVXLC-CDXJDZJCSA-N 442.516 4.119 5 20 IIBD CCc1ccccc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 5361315 GUYHCQCCAYEXHF-UHFFFAOYSA-N 425.485 4.189 5 20 IIBD O=C(CSc1nnc(NCCc2ccccc2)s1)Nc1ccc(Cl)cc1[N+](=O)[O-] 10772651 HGGPVWNWSNVXTB-UHFFFAOYSA-N 449.945 4.485 5 20 IIBD C[C@H](Nc1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 10841569 MDMLDRXMXXATQH-NSHDSACASA-N 436.390 4.401 5 20 IIBD C[C@H](OC(=O)c1ccccc1C(=O)c1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 11024571 CDAOCVLNSKTUJD-AWEZNQCLSA-N 436.395 4.149 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)CSc1cc(Cl)ccc1Cl 11464174 NFJVPIRZYLIMBI-UHFFFAOYSA-N 429.281 4.484 5 20 IIBD O=C(COC(=O)CCc1ccc(-c2ccccc2F)o1)Nc1cc([N+](=O)[O-])ccc1F 16320313 ORVLGBYWRURBFG-UHFFFAOYSA-N 430.363 4.248 5 20 IIBD CCc1nc2ccc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2nc1CC 22041635 NQTDCVBWEHIYNJ-UHFFFAOYSA-N 442.859 4.112 5 20 IIBD CC(=O)c1cc2c(cc1NC(=O)c1ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c1)OCO2 28880819 RSBZVUOANWBFRM-KBPBESRZSA-N 439.468 4.261 5 20 IIBD COc1cccc(OC)c1Oc1ccc(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cn1 58534006 JVIAASUFHXYCBK-UHFFFAOYSA-N 448.435 4.211 5 20 IIBD O=C(CN1CCN(c2ccc([N+](=O)[O-])s2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 64029180 ZDNWJRIBPFFVAQ-UHFFFAOYSA-N 448.854 4.089 5 20 IIBD CCOC(=O)c1c(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)sc(C)c1C 106867395 QSDGSEXJGRFGIO-UHFFFAOYSA-N 431.514 4.305 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2)ccc1[N+](=O)[O-] 110322579 QDHZLHSIHWVSBF-KRWDZBQOSA-N 437.374 4.045 5 20 IIBD CCCCCCNC(=O)[C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 216359808 TYQDHXDXIRTCNF-KRWDZBQOSA-N 444.557 4.267 5 20 IIBD COc1ccc(CNCc2ccnc(-n3cccn3)c2)cc1OCc1ccc([N+](=O)[O-])cc1 237269285 DEOFSGLFPASNAC-UHFFFAOYSA-N 445.479 4.053 5 20 IIBD Cc1cc(Sc2nnc(-c3ccncc3)n2C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 301110416 MVCUZLSVDORCQN-UHFFFAOYSA-N 431.481 4.500 5 20 IIBD Cc1cc(N2CCC[C@H]2c2nc(Cc3ccc(Br)cc3)no2)ncc1[N+](=O)[O-] 301414725 BGKOPSAPGUVUIS-HNNXBMFYSA-N 444.289 4.376 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N(Cc1ccc2c(c1)OCO2)C1CCCCC1 303214638 SRDKSJZCVGKHPY-UHFFFAOYSA-N 448.479 4.484 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 303944129 UERRTNYWGJCUNL-UHFFFAOYSA-N 429.782 4.286 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2C[C@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c1Br 381029662 WTTLECJHYRVNRA-IAGOWNOFSA-N 431.334 4.019 5 20 IIBD CC(C)Cc1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C(C)C)cc1 410015439 ZNPCWKRRJPTQIG-NRFANRHFSA-N 432.542 4.324 5 20 IIBD COC(=O)c1ccc(OC(C)C)c(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 426070770 PRFPTNCLSYLLIS-UHFFFAOYSA-N 427.457 4.365 5 20 IIBD CN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@H](c1ccc(Cl)cc1)c1cnccn1 427462787 AKYXLQSGBSGYDF-OAQYLSRUSA-N 448.870 4.086 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@H]2c3ccccc3CC[C@H]2C)cc(Br)cc1[N+](=O)[O-] 430347779 YAGBBABILGEVAO-ADLMAVQZSA-N 446.301 4.044 5 20 IIBD CN(C(=O)c1cccc(N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1)c1ccccc1 433712450 GUNSFDGLKHDBJU-JOCHJYFZSA-N 430.464 4.089 5 20 IIBD O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 435513933 FVYCWWYRVYYWHB-JOCHJYFZSA-N 439.443 4.049 5 20 IIBD O=C(CCC1CCCC1)N1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC1 436100176 JHEJPXUVYSJHSC-UHFFFAOYSA-N 449.526 4.075 5 20 IIBD CCOC(=O)[C@@H](Cc1ccccc1Cl)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] 438932068 BCBSJEZLHNAFTA-OAHLLOKOSA-N 425.268 4.114 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3ccc(OCC(F)F)cn3)no2)c(Br)c1 442684590 XSTYCQLBOAPWEN-UHFFFAOYSA-N 427.161 4.113 5 20 IIBD O=C(NCc1cccc(-c2ncc[nH]2)c1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444296641 VTSBUFOIXXOTTI-UHFFFAOYSA-N 430.414 4.280 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(COc3ccc(Br)cc3F)n2)c1 445575398 DNCYSDLEWGVXPP-UHFFFAOYSA-N 438.209 4.058 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@H](OCCCc2ccccc2)C1 445923211 HNWGORPBMMHFRB-IBGZPJMESA-N 447.329 4.150 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nnc(-c2cc3c(s2)CCCC3)o1 446773966 SCEHIAMCJHOMIP-UHFFFAOYSA-N 434.499 4.003 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(Cc1cccc(OC)c1)C[C@@H]1CCCO1 460202814 BGDNYJZOHKRLOJ-NRFANRHFSA-N 437.500 4.067 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@H](C)c3ccc(Br)cc3)CC2)c1 460575320 HGADIYJQXOLLLV-OAHLLOKOSA-N 432.318 4.185 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1 462437852 BMVQITIPTWSHEZ-XMSQKQJNSA-N 445.947 4.007 5 20 IIBD C[C@@H](NC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1)c1cccc([N+](=O)[O-])c1 463272189 IXPSRIUPXRSXBR-BFUOFWGJSA-N 438.311 4.152 5 20 IIBD CCc1ccc(C(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)cc1[N+](=O)[O-] 468747633 YFNMFDSBWUPNIW-UHFFFAOYSA-N 446.301 4.408 5 20 IIBD CC(C)c1nc(Cn2cc(C(=O)Nc3ccc4cc([N+](=O)[O-])ccc4n3)ccc2=O)cs1 472337895 QHVQBQPINATDGR-UHFFFAOYSA-N 449.492 4.185 5 20 IIBD Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c1 473345486 BDEUGAUUQQQARG-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD CCOc1ccc(S(=O)(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cc1Br 473774675 HVFMMPHUTHSEGP-UHFFFAOYSA-N 429.292 4.174 5 20 IIBD O=C(NCCc1nccn1Cc1ccccc1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 475207956 YHGZREBNZOKQTR-UHFFFAOYSA-N 433.390 4.223 5 20 IIBD COc1ccccc1C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(C)C 477292081 ABXNGQYDXAMSCG-FQEVSTJZSA-N 425.529 4.203 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3csc(-c4cccs4)n3)CC2)ccc1[N+](=O)[O-] 477373315 BVCIRWGQTVGAJF-UHFFFAOYSA-N 444.538 4.141 5 20 IIBD Cc1c(CNC(=O)NCc2cccc(Cn3cnc4ccccc43)c2)cccc1[N+](=O)[O-] 478943725 OGTBLHHKZCPPCE-UHFFFAOYSA-N 429.480 4.301 5 20 IIBD CCOC(=O)c1cc(C(=O)NCc2cccnc2Oc2cccc(F)c2)cc([N+](=O)[O-])c1 479165975 QMODTJUBLHNPDT-UHFFFAOYSA-N 439.399 4.028 5 20 IIBD Cc1ccc(NC(=O)N2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)cc1[N+](=O)[O-] 479768681 DBDDWASEPICILQ-OAHLLOKOSA-N 429.452 4.108 5 20 IIBD CCN(CC)C(=O)Nc1ccc([C@H](C)NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc1 480698301 NLBOREQFCQNRGY-INIZCTEOSA-N 448.545 4.125 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O 481044719 YURJLVKUIKAZJP-AWEZNQCLSA-N 436.390 4.157 5 20 IIBD CCn1c(S[C@@H](C)C(=O)N(C)Cc2ccccc2C)nnc1-c1ccc([N+](=O)[O-])cc1 481333960 CIPVTHXJLPETKZ-INIZCTEOSA-N 439.541 4.321 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@H](c2ccc(F)cc2Cl)C1 481620994 JNJPMYAECVBGIF-ZMZPIMSZSA-N 442.274 4.441 5 20 IIBD O=C(Nc1nnc(SCc2c(Cl)cccc2Cl)s1)c1n[nH]cc1[N+](=O)[O-] 481940590 BLJFHTYWCLVNLI-UHFFFAOYSA-N 431.286 4.021 5 20 IIBD O=C(NCC[C@H]1C(=O)Nc2ccccc21)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 485744058 DUKUUMWNFWCDSG-LJQANCHMSA-N 431.448 4.030 5 20 IIBD Nc1c(C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)cccc1[N+](=O)[O-] 486640887 YMXKLASNASRKKI-UHFFFAOYSA-N 426.864 4.068 5 20 IIBD O=[N+]([O-])c1cc(CNCc2cc3c(cc2Br)OCO3)cc(C(F)(F)F)c1 487185997 MHVGONYNMAUMSX-UHFFFAOYSA-N 433.180 4.395 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccccc1OC(F)F 488406232 NGRWNRUCLOPLNZ-GFCCVEGCSA-N 426.441 4.426 5 20 IIBD COC(=O)c1cc(NC(=O)c2cn(C)nc2-c2ccc(Cl)s2)c(C)c([N+](=O)[O-])c1 489763192 UPCLYKITMLWOQV-UHFFFAOYSA-N 434.861 4.058 5 20 IIBD CC(C)c1nnc(NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)s1 491388878 YMENAGHNSKWWOA-UHFFFAOYSA-N 439.497 4.119 5 20 IIBD CS(=O)(=O)c1cc(C(=O)Nc2ccccc2Nc2ccc(F)cc2F)cc([N+](=O)[O-])c1 494302422 YGNVDRONUQSVCH-UHFFFAOYSA-N 447.419 4.272 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Br)cc(OC)c1 498797881 HSEJQWCMEWQWRC-UHFFFAOYSA-N 441.303 4.357 5 20 IIBD CCOc1cc(NC(=O)NCc2ccnc(OC3CCCC3)c2)c([N+](=O)[O-])cc1OCC 499735708 COWBIYSDYIHHED-UHFFFAOYSA-N 444.488 4.430 5 20 IIBD CC(=O)Nc1ccc(Br)cc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 506157210 FXVZFMLQUGFSIP-SNVBAGLBSA-N 438.303 4.435 5 20 IIBD CCCCNC(=O)[C@H]1CC[C@H](C)N(c2cc(CC)nc(-c3ccc([N+](=O)[O-])cc3)n2)C1 506980310 WQQJSPSDNUAIJT-WMZOPIPTSA-N 425.533 4.135 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N1CCC[C@@H]1C1CCCCC1 508983669 CHPYWTIADJFJQZ-MRXNPFEDSA-N 428.270 4.384 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2ccc(OC)cc2OC)cc1 509167924 FQGVLDOHMDCERM-UHFFFAOYSA-N 438.436 4.343 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1 509193083 CYIGQXZJKHEVTM-UHFFFAOYSA-N 440.500 4.039 5 20 IIBD COc1cc(CN2CCC[C@@H](c3ccnn3C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 510687085 XXRNSPIOERXXOC-HXUWFJFHSA-N 436.512 4.296 5 20 IIBD CC[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(Cl)s1 513072149 YYYYETZAWDFVDK-VIFPVBQESA-N 433.820 4.117 5 20 IIBD COc1cc(C(=O)NCc2ccc([C@H]3C[C@@H]3C)o2)c([N+](=O)[O-])cc1OCc1cscn1 516231302 SMKWQLVHSJXHLA-WFASDCNBSA-N 443.481 4.285 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)cc1SC 520347770 ULQQPSPINZBVMK-TZMCWYRMSA-N 437.315 4.374 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2ccncc2OCCC(C)(C)C)cc1SC 521933798 HYMGJEOTSVZFDD-UHFFFAOYSA-N 433.530 4.465 5 20 IIBD Cc1ccc(SCC(F)(F)F)c(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c1 522938552 HOBWZWIHZCHHRV-UHFFFAOYSA-N 437.403 4.391 5 20 IIBD CCC(CC)[C@@H](NC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cccs1 523081822 NKWVEDWVUAAWEK-LJQANCHMSA-N 447.513 4.050 5 20 IIBD O=C(CCc1ccnc2ccccc12)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 531364328 SLGAHKSQQZGELF-UHFFFAOYSA-N 432.402 4.323 5 20 IIBD O=C(N=c1cc[nH]cc1I)c1cc2ccccc2c2cccnc12 531592507 IGUWKWXBBALOHR-UHFFFAOYSA-N 425.229 4.062 5 20 IIBD CN(c1ccccc1)c1ccc(CN[C@H]2CCCN(CC(F)(F)F)C2=O)cc1[N+](=O)[O-] 532568440 CXLOHILHUMYVFQ-KRWDZBQOSA-N 436.434 4.006 5 20 IIBD CC(C)NC1CCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 533375070 XLZYGCQWPJBBAK-OAQYLSRUSA-N 430.936 4.390 5 20 IIBD Cc1cc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])nn1-c1cccc(Cl)c1 539595795 MBYKQYMTWJEAPD-UHFFFAOYSA-N 427.269 4.197 5 20 IIBD CN(C(=O)Cc1cc(Cl)c2c(c1)OCCO2)c1nc(-c2ccccc2[N+](=O)[O-])cs1 540449922 ITVANCOEEQAICL-UHFFFAOYSA-N 445.884 4.348 5 20 IIBD C[C@H](N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)c1ccon1 542649142 USUWADOJRFIICB-KPZWWZAWSA-N 445.273 4.376 5 20 IIBD COc1cc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)ccc1OCC(F)(F)F 545832500 USRPDRVVYSKFFF-UHFFFAOYSA-N 444.381 4.278 5 20 IIBD COc1cc(OCc2nc(-c3cc(Cl)ccc3O[C@@H]3CCOC3)no2)ccc1[N+](=O)[O-] 546493905 YKZAACWWBRMCBP-CQSZACIVSA-N 447.831 4.054 5 20 IIBD Cc1cc(CN(CC(C)C)c2ncnc3sc([N+](=O)[O-])cc23)nc(N2CCCCC2)n1 553120875 CFIZDDAGPWQJSS-UHFFFAOYSA-N 441.561 4.351 5 20 IIBD COc1ccccc1O[C@@H]1CCCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 553233157 SHEWPFGAGIYWEJ-GOSISDBHSA-N 433.464 4.349 5 20 IIBD COc1cc(/C=C/c2nc3c(F)cccc3c(=O)o2)c([N+](=O)[O-])cc1OCC(F)(F)F 554389819 KXMOYRBKIXNDDZ-AATRIKPKSA-N 440.305 4.355 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] 556540893 JLJPVISRSIOBMD-OLZOCXBDSA-N 429.439 4.316 5 20 IIBD COc1cc(CN2CCC(F)(c3cccnc3)CC2)c([N+](=O)[O-])cc1OCC(F)F 556545767 QRGUUBQFLRZCJX-UHFFFAOYSA-N 425.407 4.103 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1cncc2ccccc12 558684061 STRPJJLXEBNQTJ-UHFFFAOYSA-N 433.205 4.308 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@@]2(CO)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 564014403 ZHIKSHLGPKXNFX-WVFSIPRWSA-N 446.507 4.059 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F 564136693 YQQHJBBLDLQBIQ-MRXNPFEDSA-N 449.788 4.387 5 20 IIBD CCOCc1nc([C@H](C)NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)no1 569866387 HLRPXHHQLJVSJD-INIZCTEOSA-N 448.483 4.218 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 577736966 CWKKRHBWNICLJD-UHFFFAOYSA-N 442.928 4.330 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1noc(-c2ccccc2)c1Br 577908978 VHNXXNBVGGQRKB-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD O=C(NCCCSc1ccccn1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 582427550 DJAOVYUBEFIOSB-UHFFFAOYSA-N 425.460 4.267 5 20 IIBD Cc1ccc(CN2CC[C@H](CN(C)CCC(=O)Nc3cccc([N+](=O)[O-])c3C)C2)s1 589162326 QVAHVXQTRXKJGB-GOSISDBHSA-N 430.574 4.056 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CNC3(Cc4ccc(F)cc4Cl)CCOCC3)n2)cc1 590202383 PYXODDNFZBNKSL-UHFFFAOYSA-N 446.866 4.319 5 20 IIBD CN1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2cccc([N+](=O)[O-])c2)CCC3)CC1 590779301 ZTJMAQNNIRVBHA-MNDPQUGUSA-N 442.519 4.408 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1CN(C)C1CCCCC1 591766455 JARMUNGLSQUXHL-KRWDZBQOSA-N 438.528 4.116 5 20 IIBD Cc1c(C(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)nnn1-c1cccc([N+](=O)[O-])c1 603519460 CNTKIOMQLFVUQC-UHFFFAOYSA-N 445.401 4.308 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)Cc1csc(NC(=O)c2ccccc2F)n1 603663652 SLZJZGJJISGPPC-UHFFFAOYSA-N 428.445 4.241 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 604520813 SOYZERUGZOFOAU-ZJBJCVSYSA-N 427.501 4.030 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)c2ccccc2OC(C)C)ccc1[N+](=O)[O-] 608804729 XPJHRCXODGMXCK-UWJYYQICSA-N 439.512 4.172 5 20 IIBD O=C(NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)c1cc2cc([N+](=O)[O-])ccc2s1 608874036 UKBILBLQRHRGCT-SFHVURJKSA-N 445.928 4.266 5 20 IIBD CCOc1cc(C(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c([N+](=O)[O-])cc1OC 608962437 FFMQBAPEULQNLS-IBGZPJMESA-N 438.839 4.008 5 20 IIBD COc1cc(C(=O)Nc2nc(SC)n[nH]2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 608987052 XAHBSIKPLIDVNY-UHFFFAOYSA-N 435.849 4.141 5 20 IIBD Cc1ccc(-c2nc(NC(=O)CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])sc2C)cc1 609391383 FQHYLMJASJYRJE-UHFFFAOYSA-N 444.900 4.357 5 20 IIBD Cc1cc(C)c(NC(=O)CSCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c(C)c1 609770856 RJDJOLSELADLLI-UHFFFAOYSA-N 429.498 4.190 5 20 IIBD Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 609979317 AVAJHWPOBPJIMM-VFNWGFHPSA-N 427.526 4.094 5 20 IIBD COc1ccc(N(Cc2ccco2)S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc1F 610058813 RYILGDFAQIXDNV-UHFFFAOYSA-N 434.445 4.348 5 20 IIBD COc1ccc(CNC(=O)c2ccc(C)c(NC(=O)Nc3ccccc3)c2)cc1[N+](=O)[O-] 610152537 HOONXXNCXAADMV-UHFFFAOYSA-N 434.452 4.486 5 20 IIBD Cc1ccc([C@H]2CCCCN2C(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cc1 610179527 NAVBRFUEQNRDKB-LJQANCHMSA-N 432.480 4.125 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)CCCc2cc(-c3ccc(F)cc3)no2)c1C 610800186 FSVWUHFYDYXYFG-UHFFFAOYSA-N 447.488 4.259 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N(C)[C@H]2CCCc3c2cnn3C)cc1[N+](=O)[O-])c1ccccn1 610977183 XETWCBKVAYXWMN-QRWLVFNGSA-N 434.500 4.046 5 20 IIBD CN(C)C(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cc1 611199127 VNHHSCCXRGRNCA-UHFFFAOYSA-N 427.526 4.261 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCc2ccc(S(C)(=O)=O)cc21 611539304 HQGIMZHPCFRFJI-UHFFFAOYSA-N 434.539 4.093 5 20 IIBD O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 614547216 UOZANNJJTNGFGT-DEOSSOPVSA-N 428.448 4.074 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OCC(=O)c2cccc3ccccc23)ccc1[N+](=O)[O-] 726676498 SXPAGAGEKUMSER-JOCHJYFZSA-N 446.459 4.087 5 20 IIBD CN(Cc1ccccc1)CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 727393048 YRFKMJVQPJBILC-UHFFFAOYSA-N 436.556 4.179 5 20 IIBD COC(=O)CCc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc1 729416250 UUGCSDTYDPQOET-UHFFFAOYSA-N 425.485 4.189 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc1 729470224 GTJVQTRZHDKVLQ-MRXNPFEDSA-N 441.484 4.024 5 20 IIBD CCn1c(SCC(=O)c2ccc3c(c2)CC(=O)N3C)nc2cc3ccccc3cc2c1=O 729687718 IFXLYJVCDOSXSP-UHFFFAOYSA-N 443.528 4.064 5 20 IIBD COc1ccc(NC(=O)CNc2cccc(C(=O)OCc3ccccc3)c2)c([N+](=O)[O-])c1 729985662 OOLITKPULGNAJU-UHFFFAOYSA-N 435.436 4.011 5 20 IIBD C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1ccc(I)c([N+](=O)[O-])c1 730476227 WJTWVGUACAVXRA-VIFPVBQESA-N 446.191 4.311 5 20 IIBD COc1cc(C2(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CCCC2)ccc1C 731084381 IUARTEPDIZSZAM-UHFFFAOYSA-N 426.469 4.214 5 20 IIBD Cc1ncc(/C=C\C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)s1 732866717 QGPMLRTUGJUVEW-ZADCQDASSA-N 444.494 4.067 5 20 IIBD COC(=O)NCc1ccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1 735258849 VFZRETSGYSQHGZ-IYBDPMFKSA-N 440.500 4.185 5 20 IIBD CCCN1C(=S)N[C@@H](c2sc(C)nc2C)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)=C1C 736539053 OFNDVRDKMPLLEA-QGZVFWFLSA-N 445.570 4.222 5 20 IIBD CCn1cc(CC(=O)OC2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)c2ccccc21 739383857 DENCEJUSMYNWBR-UHFFFAOYSA-N 437.496 4.333 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1cc(O)ccc1O 740754846 WVGRWJAJCHSFQQ-IBGZPJMESA-N 442.811 4.196 5 20 IIBD C[C@@H](O)C[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 740842636 KZQUNJMZVUPCBL-RTBURBONSA-N 439.556 4.191 5 20 IIBD Cc1ccc(N2CCOC2=O)cc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 744382624 VSHGBUOGPBPQFO-UHFFFAOYSA-N 439.346 4.053 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(F)c(F)cc2Cl)cc1Br 747621582 YSQVZSWLKROZFV-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD CCc1ccc([C@H](C)NC(=O)COC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 747958673 SHIJHGDWTYCFTF-AWEZNQCLSA-N 439.493 4.315 5 20 IIBD O=C(COc1ccc(Cl)c(Cl)c1)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 750429210 XYSAXOPVKKHNQW-UHFFFAOYSA-N 440.283 4.135 5 20 IIBD Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)OCc3nc4cc([N+](=O)[O-])ccc4o3)c12 751637509 MSTITTVRHINAAN-UHFFFAOYSA-N 449.448 4.412 5 20 IIBD CC(=O)c1cc(Br)ccc1OS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl 752231451 ZBQDAECIMVRBLC-UHFFFAOYSA-N 448.678 4.289 5 20 IIBD CCc1cc(N2CCOC[C@H]2C[C@@H](O)c2cccs2)nc(-c2ccc([N+](=O)[O-])cc2)n1 754026291 ZUEYHHSSLONPGG-RTBURBONSA-N 440.525 4.005 5 20 IIBD COc1cc(C)c([C@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1OC 754989836 SSZWCXXEZLKJPX-JTQLQIEISA-N 441.253 4.313 5 20 IIBD C[C@@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1cccc(N2CCCC2=O)c1 755023776 HNJGFZKBUWNCLQ-GFCCVEGCSA-N 447.289 4.367 5 20 IIBD O=C(NCc1ccnc(OCC(F)(F)F)c1)Nc1ccc(Br)c([N+](=O)[O-])c1 755030280 MCNVNKBSDIYTCC-UHFFFAOYSA-N 449.183 4.015 5 20 IIBD CCOc1ccc(COC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)nc1 756341235 VUKQQMBMLKRNFD-UHFFFAOYSA-N 449.463 4.043 5 20 IIBD O=Cc1ccc(OCC(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)c([N+](=O)[O-])c1 758327164 KWGFJIPGIOMMGT-UHFFFAOYSA-N 431.404 4.157 5 20 IIBD COc1ccc2c(c1)OC[C@@H]2CC(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 760330340 HCUXUEIVENUWAM-INIZCTEOSA-N 448.431 4.327 5 20 IIBD CC(C)c1ccc(N2CC[C@@H](c3nc(CCNc4ccccc4[N+](=O)[O-])no3)C2=O)cc1 761969722 OQKUHYMQTTZKCT-SFHVURJKSA-N 435.484 4.276 5 20 IIBD Cc1c(Cc2noc(-c3nc(NCc4ccco4)ncc3Cl)n2)cccc1[N+](=O)[O-] 762321060 QPNGFGATNLKLLY-UHFFFAOYSA-N 426.820 4.193 5 20 IIBD C[C@@H](OC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N(c1nccs1)C1CCCCC1 763397190 DMNUWFANOMLZLZ-HUUCEWRRSA-N 431.514 4.452 5 20 IIBD O=C(Nc1ccc(CC(=O)N2CCc3ccccc32)cc1)c1cc(F)c([N+](=O)[O-])cc1F 763430210 NTAFJWQHACZNOM-UHFFFAOYSA-N 437.402 4.257 5 20 IIBD Cc1ccc(S(=O)(=O)N(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c2ccc(O)cc2)s1 763954710 RNCYSWMNXQOMBZ-AWEZNQCLSA-N 446.506 4.196 5 20 IIBD CCS[C@H](C)c1noc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)n1 766788646 FPRUXKOPKDPMAY-OAHLLOKOSA-N 447.561 4.300 5 20 IIBD CCOc1ccc2ccccc2c1OC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 766861490 YJGASCYOXUBNCD-HNNXBMFYSA-N 438.411 4.244 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)c1ccc(OS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 767595242 GSJZFRRABKFKKI-LLVKDONJSA-N 428.488 4.010 5 20 IIBD COc1cc(CN2CCC([C@H]3CCCN3C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])cc1OC 768386510 ZDXDDDGDXUMCCR-GOSISDBHSA-N 449.548 4.224 5 20 IIBD CC(C)OC(=O)NCc1ccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 768988739 KRRZXCQSOATUAA-UHFFFAOYSA-N 426.473 4.426 5 20 IIBD CCCC[C@H](OC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)Nc1cc(C)on1 770155968 DXSMCWOANLRNLN-AWEZNQCLSA-N 440.250 4.008 5 20 IIBD Cc1ccc(CCNc2ccc([N+](=O)[O-])c(NCCc3ccc(C)nc3)c2[N+](=O)[O-])cn1 771148307 UKGPRUPUSFSENE-UHFFFAOYSA-N 436.472 4.219 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 771762861 CJVDCEAWCGJHEO-YFHOEESVSA-N 427.526 4.213 5 20 IIBD COc1cc(Br)c(N[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1OC 774344885 OHMJYJNSPGKUOG-GXTWGEPZSA-N 425.283 4.167 5 20 IIBD CN(C)C(=O)c1cccc(C(=O)O[C@@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])c1 774372217 CBFBWDPKKJCBPH-KRWDZBQOSA-N 449.301 4.104 5 20 IIBD CC(C)([C@@H](OC(=O)CSc1ccncc1)c1ccc(Br)cc1)[N+](=O)[O-] 774373162 KPKHFCJQPFZSGQ-INIZCTEOSA-N 425.304 4.276 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)NOC1CCOCC1 776149557 HRKMCJNYIMFRCK-UHFFFAOYSA-N 439.827 4.089 5 20 IIBD O=C(NCc1ccccc1F)c1ccc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc1 777947440 QONBTNXVZDRAHV-UHFFFAOYSA-N 443.381 4.394 5 20 IIBD O=C(Cc1nc(COC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cs1)Nc1ccccc1 778170885 ZKXDCNMMOPFRSD-UHFFFAOYSA-N 447.419 4.068 5 20 IIBD O=C(CSCc1coc(-c2ccccc2)n1)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 778792514 MJGFSATUBINIIO-HXUWFJFHSA-N 439.493 4.305 5 20 IIBD O=Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)c([N+](=O)[O-])c1 779334203 JGYUOUHLKGQODL-MRXNPFEDSA-N 448.859 4.026 5 20 IIBD C[C@@H](C[C@@H](O)c1cccs1)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 780959732 KTIFLBDYRGQCCX-BBATYDOGSA-N 428.460 4.263 5 20 IIBD CC(C)C(C)(C)C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 784015803 GJKXNZMLUNUEPU-XNTDXEJSSA-N 439.921 4.083 5 20 IIBD O=C(CSc1nc2ccccc2nc1N1CCCC1)OCc1ccc([N+](=O)[O-])c(F)c1 784200876 JPESRVDTHCYFIT-UHFFFAOYSA-N 442.472 4.113 5 20 IIBD Cc1ccc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1C(=O)N1CCCCC1 785437965 QPZMSASPZXOQLQ-UHFFFAOYSA-N 440.456 4.009 5 20 IIBD COc1ccc(CN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@H]2CCCC[C@@H]2C)cc1OC 787213774 CTIAJZBWZROERR-YWZLYKJASA-N 427.501 4.415 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)C[C@H](C)c2c[nH]c3ccccc23)c([N+](=O)[O-])c1 787220376 ZLXJODVABFKCCS-KBPBESRZSA-N 425.441 4.149 5 20 IIBD CC(C)N(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1 790895418 SMHVSKJJPBLTRN-UHFFFAOYSA-N 435.883 4.208 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccco2)cc1[N+](=O)[O-] 792959787 OPAOOTLFZCOCGO-UHFFFAOYSA-N 425.441 4.246 5 20 IIBD Cc1nc(-c2cccc(NC(=O)COC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])c2)cs1 796444422 GXXVEDPQLOSHAM-UHFFFAOYSA-N 439.493 4.486 5 20 IIBD Cc1noc(C)c1C(C)(C)C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 797508397 IVCFBHKZOPMPMH-LLVKDONJSA-N 443.378 4.066 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1c(Cl)ccc(S(=O)(=O)CC)c1Cl 798542681 DIOZSZXGWMOVPN-UHFFFAOYSA-N 447.296 4.346 5 20 IIBD Cc1cc(NC(=O)c2cccnc2)ccc1OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 799470778 QMZAFMJJZBUQRA-UHFFFAOYSA-N 430.420 4.180 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cccc(Br)c1Cl 801757767 ZGORIMDJGUCLSN-UHFFFAOYSA-N 428.626 4.490 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccnc(-c2ccc(Cl)cc2)n1 805657585 JFHRQURWIPRUER-UHFFFAOYSA-N 437.799 4.112 5 20 IIBD O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@@H](c1cccc(F)c1)N1CCOCC1 811475914 CWOYEIIKCFFHNV-SFHVURJKSA-N 428.291 4.204 5 20 IIBD COc1cc(CCNC(=O)c2cc3cccc(C)c3nc2Cl)c([N+](=O)[O-])cc1OC 816826610 MNZMXLKACRJUDY-UHFFFAOYSA-N 429.860 4.095 5 20 IIBD CSCC[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)O[C@@H](C)c1ccccc1 847414080 GSKJFZNMSDKSIB-GUYCJALGSA-N 436.917 4.404 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2cc(C3CC3)nn2-c2ccccc2)cccc1[N+](=O)[O-] 856695912 UPGNIROTBCXQMP-HNNXBMFYSA-N 434.452 4.150 5 20 IIBD COc1ccc(CNc2ccccc2O[C@@H]2CC(=O)N2)cc1OCc1ccc([N+](=O)[O-])cc1 864039700 JCYIWCTUVVHHTQ-XMMPIXPASA-N 449.463 4.019 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Oc1cccc(C(C)(C)C)c1 892165593 WPUJKVWEVMDBBO-LJQANCHMSA-N 430.526 4.349 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N(CCc1ccccc1F)C1CCCC1 914517580 XJFWBGLZGUVDON-UHFFFAOYSA-N 441.503 4.198 5 20 IIBD O=C(OCc1nnnn1-c1ccc(C(F)(F)F)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 917964585 IOYMTGBVOUNXHT-UHFFFAOYSA-N 449.370 4.161 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cc2c(OC(F)F)cccc2[nH]1 919053955 UMABKOHRODYDGU-UHFFFAOYSA-N 430.323 4.085 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)OCC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)c1 919112675 NUTSQYOXVKXVCY-OAHLLOKOSA-N 434.876 4.088 5 20 IIBD C[C@H](OC(=O)c1ccc(Br)cc1Cl)C(=O)Nc1ccccc1[N+](=O)[O-] 919493009 OBXNZRJZOFTZCJ-VIFPVBQESA-N 427.638 4.195 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nnc3n2CCCCCC3)cc1 919772831 MPRCWGUOEAXGHK-UHFFFAOYSA-N 434.500 4.334 5 20 IIBD O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 919878183 VUGFLCKATIOVNT-UHFFFAOYSA-N 443.931 4.327 5 20 IIBD COc1cc(COC(=O)c2cc(C)c3ccccc3n2)c([N+](=O)[O-])cc1OCC(F)F 1116513005 BCIRVDJDFIGRFA-UHFFFAOYSA-N 432.379 4.461 5 20 IIBD COc1cc(-c2nc([C@H](NC(=O)OC(C)(C)C)c3ccccc3)no2)ccc1[N+](=O)[O-] 1251843188 PMELFVGOEFOENQ-QGZVFWFLSA-N 426.429 4.268 5 20 IIBD CCOC(=O)N1[C@H](c2nnc(COc3ccccc3[N+](=O)[O-])o2)CC[C@@H]1c1ccc(C)o1 1326072709 MOIRRDXAACFBRO-ZBFHGGJFSA-N 442.428 4.493 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)OC[C@H]1CCC(=O)N(C)[C@@H]1c1cccc(Cl)c1 1343293439 XXGLLADWQSAVCK-JLTOFOAXSA-N 431.876 4.056 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)NC1(c2ccc(NC(=O)c3cncs3)cc2)CCC1 1787530253 NOUGABFZDPAAPZ-UHFFFAOYSA-N 436.493 4.042 5 20 IIBD CC(=O)Nc1ccc(C2(NC(=O)Cc3cc(Br)ccc3[N+](=O)[O-])CCC2)cc1 1787812261 DKYRELGRZROOOB-UHFFFAOYSA-N 446.301 4.054 5 20 IIBD Cc1cc(CCCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@]2(C)C[C@H]2C)C3)c([N+](=O)[O-])cc1F 1793405356 OINLKNBEVQCOFG-WGRDFSBBSA-N 445.535 4.049 5 20 IIBD CC(C)C1(C(=O)N2CCC3(CCCN(C(=O)/C=C/c4ccc([N+](=O)[O-])o4)C3)CC2)CCC1 1805685308 JJUHQKBYCRORLA-FNORWQNLSA-N 443.544 4.259 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC2(CCCN(C(=O)CCc3ccccc3)C2)CC1 1809079891 NNGWOJZHULFION-UHFFFAOYSA-N 449.551 4.001 5 20 IIBD CC(C)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2cc([N+](=O)[O-])ccc2F)n[nH]1 1815645276 KBLVBZGDCZSYSI-LJQANCHMSA-N 445.495 4.128 5 20 IIBD Cc1cccc(C)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 1830641634 LGGYLMNAJCXNGK-FQEVSTJZSA-N 438.528 4.087 5 20 IIBD Cc1c(C(=O)N2CC3(CCCN3C(=O)[C@]3(C)CC=CCC3)C2)cc(Cl)cc1[N+](=O)[O-] 1846705987 GZAPKMVGPMMIAD-OAQYLSRUSA-N 431.920 4.120 5 20 IIBD CN(C(=O)CSc1nccn1-c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 10380296 BVMHOPPHABWEAK-UHFFFAOYSA-N 447.314 4.298 5 20 IIBD O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 17478350 FQNHMTBJRGPIFD-UHFFFAOYSA-N 440.868 4.325 5 20 IIBD CCN(Cc1ccccc1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)C(C)=O 27368786 YKTLTHOXIZBJLI-UHFFFAOYSA-N 449.511 4.077 5 20 IIBD CCCCn1c(SCC(=O)Nc2c(C)cccc2[N+](=O)[O-])nc2ccccc2c1=O 28786942 IRMPXQWWAIMTCG-UHFFFAOYSA-N 426.498 4.144 5 20 IIBD CN(Cc1ccc(Br)cc1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 29159332 IFQXKDXQPFJQBY-UHFFFAOYSA-N 432.318 4.232 5 20 IIBD CN(C(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)C1CCCCC1 72001257 DRPIORONEKAYNS-UHFFFAOYSA-N 426.429 4.160 5 20 IIBD CC(C)(CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccc(Br)cc1 107870885 POMXOLVBSNZIOU-UHFFFAOYSA-N 443.301 4.251 5 20 IIBD O=C(c1ccccc1)c1ccc(N2CCN(c3ncnc4sccc34)CC2)c([N+](=O)[O-])c1 301088328 URRNKZQPOZSCMW-UHFFFAOYSA-N 445.504 4.157 5 20 IIBD COc1cc(CN[C@H](C(=O)O)c2ccc(F)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 426771746 AISXNFXKTXGCSG-QFIPXVFZSA-N 440.427 4.237 5 20 IIBD C[C@H]1CN(CCC2CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC2)C[C@@H](C)O1 427297702 WDEWAGDCVNAZMI-HDICACEKSA-N 431.577 4.244 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 429340587 VRPCACZQSLSRCN-UHFFFAOYSA-N 442.946 4.082 5 20 IIBD O=C(COc1c(Br)cccc1[N+](=O)[O-])Nc1ccc(OC(F)(F)F)cc1 431225388 NZTSKHGEHNYHLK-UHFFFAOYSA-N 435.152 4.273 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCc1cc(Br)ccn1 432144504 YOZYDXDKJGQFCU-UHFFFAOYSA-N 427.127 4.414 5 20 IIBD Cc1ccc(NC(=O)c2ccccc2)cc1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 433715043 WUAHMOIWDZQPGG-NRFANRHFSA-N 430.464 4.373 5 20 IIBD COC(=O)[C@H]1CC[C@@H](NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 433935433 BUSILAUGKKSWTJ-GXTWGEPZSA-N 434.901 4.471 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 435228745 XVUBQAWDHUJTEO-GFCCVEGCSA-N 449.476 4.255 5 20 IIBD O=C(NCc1ccnc(N2CCCCC2)c1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 436065897 MCKSGBWKWWLSFY-UHFFFAOYSA-N 430.483 4.136 5 20 IIBD Cn1cnnc1-c1cccc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1 436079784 COLNAMHGYNOOTP-UHFFFAOYSA-N 431.402 4.007 5 20 IIBD CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2c1cc(C(F)(F)F)ncc1[N+](=O)[O-] 436326267 CRYDLWNAPZCXET-XYPWUTKMSA-N 434.418 4.281 5 20 IIBD COc1cc(-c2noc(CCCCCNc3c([N+](=O)[O-])ccc4c3CCN4)n2)ccc1O 436942845 JLLUEYDSSHYHRX-UHFFFAOYSA-N 439.472 4.152 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N(CCc1cccc(F)c1)C1CCCC1 441956845 SPRBWGAIJZMACQ-UHFFFAOYSA-N 433.867 4.340 5 20 IIBD C[C@@H](NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)c1ncn(C)n1 444435005 SLEPUEVRRYSNPW-VQCBNXJZSA-N 448.508 4.141 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)NC1(c2cccc(Br)c2)CCC1 445015103 QRHMGHPGJOLDTB-UHFFFAOYSA-N 444.289 4.112 5 20 IIBD CCN(CC)S(=O)(=O)c1cc(-c2nc(-c3ccc([N+](=O)[O-])s3)no2)ccc1Cl 445485715 CGNSWQZWZIGFLU-UHFFFAOYSA-N 442.906 4.057 5 20 IIBD CNC(=O)c1cc(Oc2cc(NC(=O)CCc3cccc([N+](=O)[O-])c3)ccc2C)ccn1 445961701 KDAWLBDERLTXFL-UHFFFAOYSA-N 434.452 4.021 5 20 IIBD C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1nc(C(C)(C)C)cs1 447036185 GEALTKVVVBJQBU-VIFPVBQESA-N 437.465 4.407 5 20 IIBD CCOc1ccc(C2(CNC(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)CCOCC2)cc1 463957005 AAVGHVPFQOVSJG-UHFFFAOYSA-N 427.501 4.480 5 20 IIBD CCCOCc1ccccc1CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465666073 PFIKTXAAZUGMNW-UHFFFAOYSA-N 427.501 4.274 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NCC1(c2cccc(Cl)c2)CCOCC1 466583659 FQKVVSPJPINULL-UHFFFAOYSA-N 438.311 4.449 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCc3ccc(S(C)(=O)=O)s3)c([N+](=O)[O-])c2)cc1 468583270 DMHKMXFPOFBIIS-UHFFFAOYSA-N 445.522 4.233 5 20 IIBD COc1cc(C(=O)N2CCSc3ccc(C(F)(F)F)cc32)cc([N+](=O)[O-])c1OC 469150235 ZOWUEUJIMKKABG-UHFFFAOYSA-N 428.388 4.383 5 20 IIBD C[C@H]1CCN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C[C@H]1n1ccnc1 469381997 SGPLMTNWCGWAOG-YVEFUNNKSA-N 449.298 4.007 5 20 IIBD Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 470245352 AGAGFKJNCCLHIS-LADGPHEKSA-N 448.523 4.415 5 20 IIBD C[C@@H](NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccc(-c2ccncc2)cc1 470478616 XAURGMQXMAXFTD-GOSISDBHSA-N 431.496 4.250 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(N[C@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)cc2N1 473915187 ZBPIEZMROOENMX-ZDUSSCGKSA-N 435.267 4.004 5 20 IIBD COC(=O)[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C[C@H]1C 475376899 ZKCAQKRXDGEBAU-DOMZBBRYSA-N 437.290 4.248 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 478192453 LDZPLFYRPIWMOM-DOTOQJQBSA-N 438.452 4.221 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c1[N+](=O)[O-] 480726441 ALVKYXAYURPIKN-CQSZACIVSA-N 433.461 4.060 5 20 IIBD Cc1ccc2c(C3=CCN(C(=O)c4ccn(-c5ccccc5[N+](=O)[O-])n4)CC3)c[nH]c2c1 483099085 MRLGBIARYBCPOY-UHFFFAOYSA-N 427.464 4.500 5 20 IIBD O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C/c1csc(-c2ccc3c(c2)OCO3)n1 483180728 REPLPIKAOADGFE-GHXNOFRVSA-N 446.444 4.101 5 20 IIBD Cc1ccc(-n2cnnn2)cc1NC(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 483755891 COYJWPJPJWIBDC-UHFFFAOYSA-N 426.502 4.269 5 20 IIBD CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1cc(OC)c(OCC)cc1[N+](=O)[O-] 486404636 JYSGEZDVLTYXDE-UHFFFAOYSA-N 449.891 4.146 5 20 IIBD Cc1cc(C)c(C[C@H](C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C(F)(F)F)c(C)c1 487097992 IIIQQWBXBPPLLR-GOSISDBHSA-N 438.450 4.301 5 20 IIBD C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCN(Cc2ccccc2)C1 487376626 WWQYSCFYINTDMU-APWZRJJASA-N 436.537 4.359 5 20 IIBD CC(=O)N[C@@H](CC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(Br)cc1 488086999 FKYGEZMYXGLWBW-UGSOOPFHSA-N 448.317 4.110 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(Cc2c(F)cccc2Cl)o1 488827462 CVAITIKFCKSUPK-UHFFFAOYSA-N 436.852 4.400 5 20 IIBD C[C@@H](Sc1nnc(Cc2cccc(F)c2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 488828143 DETPCZCVWIEPNY-SNVBAGLBSA-N 436.852 4.480 5 20 IIBD COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 488952814 IGTNUNBJJOJZFY-AWEZNQCLSA-N 449.257 4.072 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCCO)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 490772793 RIIFSDJEWYRMCH-UHFFFAOYSA-N 443.500 4.319 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@@]2(CC)CCC(=O)NC2=O)cc1 492168618 NXEBXCUKMACGDH-JOCHJYFZSA-N 441.509 4.044 5 20 IIBD C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 493005677 SOEKJHDYBRBFSG-GFCCVEGCSA-N 436.295 4.211 5 20 IIBD Cn1ccnc1[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1F 496395224 ONCGFQMNLLSBIT-SFHVURJKSA-N 437.456 4.110 5 20 IIBD CCN(C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)[C@H](c1ccc(C)cc1)c1cccnc1 496557312 WRBWCOYFZUZAIY-JOCHJYFZSA-N 433.464 4.337 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1c(O)c(Cl)cc(Cl)c1Cl 497122224 BNDQHNKRCBRBCN-UHFFFAOYSA-N 432.647 4.019 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cccc(C(=O)N2CCc3ccccc32)c1 498478425 XKFHWEDWOCKSOQ-UHFFFAOYSA-N 431.448 4.205 5 20 IIBD Cc1cnc(O)n1-c1ccc([C@@H](C)NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 501861092 MMXOIONYGSTFDH-CQSZACIVSA-N 449.492 4.409 5 20 IIBD CC[C@@H](C(=O)N1CCC(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1)c1ccccc1 502013780 CGHZASTYDCQVTE-LJQANCHMSA-N 441.553 4.231 5 20 IIBD CCc1ccc([C@@H](NCc2cc(S(C)(=O)=O)ccc2F)c2ccc([N+](=O)[O-])cc2)o1 502594929 LMCBWZZDVQQHDK-NRFANRHFSA-N 432.473 4.172 5 20 IIBD CCOc1cc(NC(=O)N2CC[C@@H](COc3ccccc3)C2)c([N+](=O)[O-])cc1OCC 506269786 MHIFLBFDBOHFOO-MRXNPFEDSA-N 429.473 4.325 5 20 IIBD Cc1cccc(CN(Cc2ccccn2)S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1 510225283 XGVGHHOWUIWRRF-UHFFFAOYSA-N 425.510 4.306 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCc2c(ncn2-c2ccc(F)cc2)C1 510769262 YFKCJIICUUDMSY-UHFFFAOYSA-N 449.467 4.242 5 20 IIBD COc1cc(CCNC(=O)c2ccc(Br)cc2Cl)c([N+](=O)[O-])cc1OC 512371690 LJQMRNGGVGHBOS-UHFFFAOYSA-N 443.681 4.000 5 20 IIBD Cc1ccc(-c2cncc(F)c2)cc1NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 512721363 UKJYGLRDFVJQDQ-UHFFFAOYSA-N 436.443 4.193 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2F)c2ccccc2F)cc1[N+](=O)[O-] 513460529 PPHXSLWAMLULIW-UHFFFAOYSA-N 446.431 4.124 5 20 IIBD COC(=O)c1ccc(N2CCCC2)c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 514339489 ZCXFDRDBRQZPNZ-UHFFFAOYSA-N 425.466 4.449 5 20 IIBD COc1ccccc1Oc1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 514542996 BOSLCFLVSCENLI-UHFFFAOYSA-N 449.467 4.145 5 20 IIBD COc1ccc([C@H](C)NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1Br 515283763 LMEIMFBGWBGEPO-LBPRGKRZSA-N 445.273 4.043 5 20 IIBD CCN(C(=O)Cc1ccc(NC(=O)c2ccc(NC)c([N+](=O)[O-])c2)cc1)c1ccccc1 517451388 YNSILSBHGGFESA-UHFFFAOYSA-N 432.480 4.484 5 20 IIBD CNc1ccc(C(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1[N+](=O)[O-] 518267412 VSWZHPWJGOZQSS-FQEVSTJZSA-N 433.443 4.297 5 20 IIBD C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 518973704 GBRBPMOXIYYLLW-BDJLRTHQSA-N 431.297 4.052 5 20 IIBD O=C(NCc1ccc(OCc2ccccc2)cc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 519134594 DXMHKEPBRSJFHL-UHFFFAOYSA-N 428.448 4.290 5 20 IIBD CC(C)(C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)n1cc([N+](=O)[O-])cn1 522475257 SNKFUMUNVHTNCD-UHFFFAOYSA-N 425.392 4.307 5 20 IIBD CN(Cc1ccccc1Br)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 522594341 MECUVIHQEIQIOR-UHFFFAOYSA-N 427.682 4.438 5 20 IIBD Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)ccc1OCCN1CCCC1 523488470 GIUQGMQKQRWDNQ-UHFFFAOYSA-N 448.317 4.393 5 20 IIBD C[C@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccc(Oc2ccccc2)cc1 523757231 VEUSTBSBUQMEPR-SFHVURJKSA-N 447.495 4.375 5 20 IIBD COc1cccc(N2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)C2)c1 524455287 NQHRELPFTIDRFB-LJQANCHMSA-N 446.507 4.224 5 20 IIBD CCN1CC[C@H](N(C)C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C[C@H]1C 524879792 IFLHIEYDMYFOSK-LMMKCTJWSA-N 425.533 4.108 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(-c2cc[nH]n2)cc1 525414695 GFEYXPCOWGDQEF-UHFFFAOYSA-N 434.378 4.237 5 20 IIBD COc1cc(C(=O)N2CCC(Cc3ccccc3F)CC2)c([N+](=O)[O-])cc1OC(F)F 530802387 NQHNMAXETVMOFN-UHFFFAOYSA-N 438.402 4.439 5 20 IIBD COc1cc(CN[C@@H]2CCO[C@]3(CCSC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 532675100 SFALJUICCBLMSA-AUSIDOKSSA-N 444.553 4.327 5 20 IIBD CCn1cc(S(=O)(=O)Nc2ccc(O[C@@H](C)c3ccccc3)cc2C)c([N+](=O)[O-])n1 533786734 DZGGRFBZAKBJKH-HNNXBMFYSA-N 430.486 4.060 5 20 IIBD COCCN(C(=O)c1cccc(OC(C)C)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 535846190 RZJSOQCYZLEXOZ-UHFFFAOYSA-N 442.497 4.194 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCNC(=O)c1ccc(C)c(F)c1 537398774 OBLYOSFWYMIQSC-UHFFFAOYSA-N 433.505 4.094 5 20 IIBD Cc1nc(-c2ccccc2)sc1C(=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc12 538823468 ABBWIHIXBARDFX-UHFFFAOYSA-N 448.508 4.202 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cc(F)ccc2NC(=O)c2ccccn2)c1 539501373 SVSNKXSCRWAQGW-UHFFFAOYSA-N 438.415 4.097 5 20 IIBD CC(=O)N[C@H](CC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(F)cc1F 541068889 XBLSBOMSMBWZAA-OAHLLOKOSA-N 431.317 4.098 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 541132007 DOFVTZCKPCTAHI-IBGZPJMESA-N 437.418 4.406 5 20 IIBD COc1cc(Cc2noc(Cc3c[nH]c4cccc(Br)c34)n2)ccc1[N+](=O)[O-] 545051275 YZFXSAPVHZNNKX-UHFFFAOYSA-N 443.257 4.412 5 20 IIBD COc1cc(OCc2nc([C@@H](C)c3ccc(Br)cc3)no2)ccc1[N+](=O)[O-] 545837820 RCHUKVCUBYGUGT-NSHDSACASA-N 434.246 4.480 5 20 IIBD Cc1ccc(-c2noc([C@@H]3CCCN(C(=O)CCOc4ccccc4)C3)n2)cc1[N+](=O)[O-] 546279076 DOEKKLCNTROENA-GOSISDBHSA-N 436.468 4.128 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)NCCc2cc(Cl)ccc2Br)c1 549294666 UCKYLPAZVYFUEH-UHFFFAOYSA-N 427.682 4.382 5 20 IIBD CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 550316178 CIGUYUHIQUHQSZ-WBVHZDCISA-N 436.434 4.290 5 20 IIBD C[C@H](C(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)c1cccc([N+](=O)[O-])c1 555721044 CDVBSOJZTMHHHW-AWEZNQCLSA-N 428.441 4.309 5 20 IIBD COCCCN(C)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 561233947 YHQIDNFLVIYQGV-SFHVURJKSA-N 436.306 4.005 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCC=C(c2ccncc2)C1 575452813 STSPWIFTUUDKHA-UHFFFAOYSA-N 444.278 4.412 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C 576869427 SFUIQWDIPMTQSF-UHFFFAOYSA-N 449.305 4.331 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](c1cncc(Br)c1)C1CC1 577609124 AWVNJMOIWAZJMB-IBGZPJMESA-N 433.306 4.130 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1nc(-c2ccc(SC)cc2)ns1 579293818 XHZKGFNENFREPP-UHFFFAOYSA-N 431.499 4.166 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCN[C@H](c2ccccc2Cl)C1 586824219 QTAAIQHTFZYPNJ-KRWDZBQOSA-N 438.709 4.106 5 20 IIBD Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 589648897 QGWDVHIZNHYUBX-UHFFFAOYSA-N 443.437 4.224 5 20 IIBD O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCC(C2CC2)CC1 590430985 XZTTUAMPRYGPDC-UHFFFAOYSA-N 425.451 4.479 5 20 IIBD CCN1CCC[C@H]1CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 603458603 YGOWCKLYVXAWBJ-INIZCTEOSA-N 433.892 4.263 5 20 IIBD COC(=O)c1ccc(OCC(=O)N[C@@H](c2ccccc2)C2CCCCC2)c([N+](=O)[O-])c1 603642662 GBANYQQQYRGLNS-QFIPXVFZSA-N 426.469 4.198 5 20 IIBD Cc1ccc(NC(=O)c2ccccc2)cc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 603977701 LSJJSORUWSPGON-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD CCC[C@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2sccc2C1 608901428 WBXBEVCXDRFHHV-KDOFPFPSSA-N 447.582 4.007 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)c([N+](=O)[O-])c1 608927927 RSLYLUNFFZLRCE-UHFFFAOYSA-N 425.438 4.030 5 20 IIBD COc1cccc(CC(=O)N2CCc3ccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc32)c1 608944767 BFJILNAKUSSXBX-UHFFFAOYSA-N 445.475 4.296 5 20 IIBD C[C@H](c1cc(F)ccc1F)N(C)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 609418678 LZHXRCBJJJGHMH-SECBINFHSA-N 435.246 4.017 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cccc([S@@](C)=O)c2)cc1 609527307 HRPUTDNFABMGEN-SSEXGKCCSA-N 426.450 4.385 5 20 IIBD CC(C)NC(=O)c1ccc(N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)c([N+](=O)[O-])c1 609670642 COTMPXRMPZRRIJ-INIZCTEOSA-N 436.434 4.443 5 20 IIBD CN(C)[C@@H](CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1Cl 609729631 PHBTUHMEMYYAPG-KRWDZBQOSA-N 426.300 4.090 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NC[C@H](CO)Cc3ccccc3)cc2[N+](=O)[O-])n1 609883888 VETSTJIIHAAPES-MRXNPFEDSA-N 443.550 4.092 5 20 IIBD CN(C(=O)c1ccc(Cl)c(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])c1)c1ccccc1 610000234 OULVTCMJWLOKSE-UHFFFAOYSA-N 438.871 4.236 5 20 IIBD C[C@@H](N[C@@H](Cn1cccn1)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 610162532 IRGSTIXNLFOWKZ-KUHUBIRLSA-N 447.417 4.168 5 20 IIBD Cc1c(C(=O)Nc2ccc(COCc3ccccc3)cc2)nnn1-c1cccc([N+](=O)[O-])c1 610184686 COAFLUHSOWYVHV-UHFFFAOYSA-N 443.463 4.453 5 20 IIBD O=C(Nc1ccc(SCc2ccccc2)cn1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 611087069 PJJPDYDTHXXBCG-UHFFFAOYSA-N 432.465 4.115 5 20 IIBD COC(=O)C(C)(C)[C@H]1CCCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 611333926 UVRKDDAJWVDPGB-KRWDZBQOSA-N 425.485 4.390 5 20 IIBD Cc1nc(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)sc1C(=O)O 611526331 QDHZKFYRMZHCPD-UHFFFAOYSA-N 447.856 4.434 5 20 IIBD O=C(N[C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21)c1ccc([N+](=O)[O-])c2cccnc12 612132827 LRNDBLZXRBCPPA-VLCRHTCISA-N 430.508 4.174 5 20 IIBD CC(C)Oc1cccc(CNC(=O)CSc2nc3cc4ccccc4cc3c(=O)n2C)c1 613973254 RDGZGALSIDFXHY-UHFFFAOYSA-N 447.560 4.282 5 20 IIBD CN(CCO)Cc1cc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])ccc1Cl 619868233 CXSXPOFYSIVEBR-UHFFFAOYSA-N 444.340 4.057 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 726325818 YNMMRROSRNPSPN-UHFFFAOYSA-N 426.376 4.099 5 20 IIBD CCCN(C(=O)c1cc([N+](=O)[O-])ccc1Br)[C@@H](C)C(=O)Nc1ccccc1 726755445 NGJXQEJIUCIBAN-ZDUSSCGKSA-N 434.290 4.237 5 20 IIBD CN(C)C1CCN(c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2F)CC1 728253548 KPFFDNOQZCPGDB-UHFFFAOYSA-N 426.448 4.263 5 20 IIBD O=C(c1ccc(N2CCOCC2)c(F)c1)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 730175225 DDJFDXNNETWGJP-UHFFFAOYSA-N 433.867 4.281 5 20 IIBD Cc1nc(CCC(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)oc1-c1ccccc1 730334105 BDWHNYWLCCEAKU-UHFFFAOYSA-N 443.843 4.326 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 730873508 MFUYLILQKMRNIU-VHKYSDTDSA-N 434.448 4.431 5 20 IIBD O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1CCCC[C@H]1c1cc2ccccc2[nH]1 731026184 BMONPQKQJQFYAJ-QHCPKHFHSA-N 429.480 4.485 5 20 IIBD CN(C(=O)c1ccccc1NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)C1CCCCC1 731754379 UQGLMGCATKTUNH-UHFFFAOYSA-N 440.500 4.200 5 20 IIBD COC(=O)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)Cc1cccc2ccccc12 733363883 LRROGQZIUALZIF-INIZCTEOSA-N 426.856 4.163 5 20 IIBD CSc1nc2ccc(NC(=O)C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)cc2s1 740502605 HEPPUHKRQRHIAG-UHFFFAOYSA-N 444.538 4.004 5 20 IIBD Cc1ccc(N2CC[C@@H](NC(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)C2=O)cc1 741723481 WLOHWOGGIDBKRL-JOCHJYFZSA-N 444.491 4.051 5 20 IIBD O=C1CC2(CCCCC2)Oc2cc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3F)ccc21 742634485 GJLRYOIDLOBNIB-UHFFFAOYSA-N 435.429 4.170 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 744367229 HPLFMGXRQKBKPJ-WFASDCNBSA-N 445.438 4.427 5 20 IIBD COc1ccc(-c2nc(C)c(C(=O)OCCOc3ccc(OC)cc3[N+](=O)[O-])s2)cc1 744590708 XUKYKEZDOMHPOC-UHFFFAOYSA-N 444.465 4.280 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)OCC(=O)c3ccc4c(c3)COC4)cc2[N+](=O)[O-])C1 746536975 LFSJJPGASLWICN-HZPDHXFCSA-N 438.480 4.147 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 747394494 PJHUVHVAEANFJQ-UHFFFAOYSA-N 431.411 4.085 5 20 IIBD COc1cccc(C(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c2cccc(OC)c2)c1 748436896 WRRSYKYJIGJSED-UHFFFAOYSA-N 440.427 4.036 5 20 IIBD C[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)Oc1ccc(F)cc1 749435193 GOIGNXNMGDVXTN-VIFPVBQESA-N 431.645 4.347 5 20 IIBD O=C(Nc1ccc(O[C@H]2CCOC2)cc1)c1cc(Br)cc([N+](=O)[O-])c1Cl 749435729 IMAGMIWLZUQQJR-ZDUSSCGKSA-N 441.665 4.431 5 20 IIBD CCCCN(C)C[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 752929090 LMJGGTKYFVYJER-HNNXBMFYSA-N 446.935 4.351 5 20 IIBD Cc1ccc(-n2cnnc2SCc2nnc(-c3ccccc3[N+](=O)[O-])o2)cc1Cl 753851178 UPDNJNWOSPOJQL-UHFFFAOYSA-N 428.861 4.480 5 20 IIBD CN(c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 754113491 KZNNCKDHVAPFMV-KBXCAEBGSA-N 444.431 4.087 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1nccn1Cc1ccc(Br)cc1 755721743 HEEIKIRBPZJZNC-BJMVGYQFSA-N 427.258 4.254 5 20 IIBD O=C(COC(=O)CCc1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCCCCC2)cc1 756529836 SYLIUQIBPGYENW-UHFFFAOYSA-N 425.485 4.090 5 20 IIBD COc1cc(CNC[C@](C)(O)c2ccc(F)cc2)c([N+](=O)[O-])cc1OCc1ccccc1 758600403 PGYSWFUJOGXJCG-DEOSSOPVSA-N 440.471 4.319 5 20 IIBD Cc1cc(S(C)(=O)=O)cc(C(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)c1C 759869852 GPMRNQXOIQMLAD-UHFFFAOYSA-N 436.917 4.325 5 20 IIBD Cc1coc(-c2cccc(NS(=O)(=O)c3ccc(Br)c([N+](=O)[O-])c3)c2)n1 760364503 BYWIKVNTRAHFHR-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD Cc1oc(-c2ccccc2)nc1Cc1noc(-c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)n1 761507122 XAHJDGPOXCXCEH-UHFFFAOYSA-N 443.423 4.088 5 20 IIBD C[C@@]1(c2noc(C3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)n2)CCCO1 763334454 ZSVZDBOPPPXLLS-SFHVURJKSA-N 426.395 4.406 5 20 IIBD Cc1nccn1-c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cn1 763958669 JOYVHVVZWDBVCB-UHFFFAOYSA-N 442.479 4.026 5 20 IIBD O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1CNC1(c2cccc(C(F)(F)F)c2)CCC1 764134702 MPRWILJDMIDYAX-UHFFFAOYSA-N 434.374 4.057 5 20 IIBD C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 765443230 MSKDKMJDEXDVRT-CQSZACIVSA-N 434.408 4.246 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2SCCO)cc1)c1ccccc1 765465918 MQOGPRGDGVJQFL-UHFFFAOYSA-N 438.461 4.151 5 20 IIBD COc1cc(COC(=O)c2ccc(COc3ccccc3OC)o2)c([N+](=O)[O-])cc1F 766189646 ZNNZBSWFQMTATK-UHFFFAOYSA-N 431.372 4.280 5 20 IIBD O=C(O[C@@H]1CCOC[C@@H]1OCc1ccccc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 767013993 QGTPEWYIHXVTBT-UXHICEINSA-N 440.477 4.249 5 20 IIBD CC(=O)N1CC[C@@H](COC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 767999603 ISAPDZHPGVGJRW-CQSZACIVSA-N 434.901 4.425 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)C1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 769310790 ISBHQQWECRTMTD-CYBMUJFWSA-N 429.464 4.321 5 20 IIBD C[C@@H](CCSc1ccccc1)OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 770027152 XCLMAMUCPLDXPE-HOCLYGCPSA-N 434.539 4.375 5 20 IIBD COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OS(=O)(=O)CCC1CC1 770643580 FEZXZIQCTOKFFC-LJQANCHMSA-N 444.509 4.094 5 20 IIBD CCOc1ccc(C(C)=O)cc1COC(=O)c1sc(Br)cc1[N+](=O)[O-] 773604397 QZLBHDDSBXIHHY-UHFFFAOYSA-N 428.260 4.377 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Br)c1ccc(-c2cncnc2)cc1F 774107070 TUKNRXWHTGQHHV-UHFFFAOYSA-N 432.205 4.310 5 20 IIBD O=C(OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCc2c(Cl)cccc21 776087369 UHIJPJSTHCKWGW-WMLDXEAASA-N 428.872 4.126 5 20 IIBD CC(=O)N1CCc2ccccc2[C@H]1CC(=O)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776132506 FKAYEKICQYVILN-NOZRDPDXSA-N 445.475 4.158 5 20 IIBD CC(C)Cn1c(SC[C@@H](O)c2ccc([N+](=O)[O-])cc2)nc2ccc(Cl)cc2c1=O 776271320 KLDUBLMHANQSGI-GOSISDBHSA-N 433.917 4.440 5 20 IIBD O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 776588390 UIDWSZMLPHXVRH-APWZRJJASA-N 428.876 4.211 5 20 IIBD COc1c([N+](=O)[O-])cc(N[C@@H]2CCO[C@H](CC(C)C)C2)c([N+](=O)[O-])c1Br 776819410 PQRMODUFAXLGII-GHMZBOCLSA-N 432.271 4.280 5 20 IIBD CCN(C(=O)c1ccc(I)c([N+](=O)[O-])c1)[C@H](C)Cc1ccsc1 778227095 UNXXRWXLDNVDJA-LLVKDONJSA-N 444.294 4.354 5 20 IIBD O=C(Nc1ccccc1)c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 778660798 OLNUSDMGRHHOMT-UHFFFAOYSA-N 432.841 4.268 5 20 IIBD Cc1c(Cl)cccc1NC(=O)COc1cc([N+](=O)[O-])ccc1I 780353914 LWXPLBDMXYKIII-UHFFFAOYSA-N 446.628 4.179 5 20 IIBD O=C(OCc1nc(-c2ccc(F)c(F)c2)no1)c1ccc2[nH]c3ccccc3c(=O)c2c1 781269528 WJPAKBOSHRQRDB-UHFFFAOYSA-N 433.370 4.367 5 20 IIBD Cn1c([C@@H]2CCCN2C(=O)c2cccc([N+](=O)[O-])c2Br)nc2ccccc21 782168783 DHEKUZMURDFPSZ-INIZCTEOSA-N 429.274 4.221 5 20 IIBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)O[C@@H]1CCCc2nc(-c3ccccc3)sc21 782607890 LQHHBASZWNLQLD-GOSISDBHSA-N 437.477 4.069 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 783032769 NBZUIRKESGCPIS-SJORKVTESA-N 432.521 4.105 5 20 IIBD C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)COc1cc([N+](=O)[O-])ccc1Br 786744498 SBOISYKDNPOVCV-JTQLQIEISA-N 429.217 4.234 5 20 IIBD CCc1cc(O)nc(-c2cccc(NC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])c2)n1 790543630 QSYZIAYWYCRLBU-UHFFFAOYSA-N 430.823 4.294 5 20 IIBD COc1ccc(-n2c(C)nnc2S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 794456787 KNPFNLNOGLVMRZ-NSHDSACASA-N 447.904 4.265 5 20 IIBD CCOc1ccc([C@@H](O)C2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 794537589 XODUWYDFKQRGSL-JOCHJYFZSA-N 432.904 4.162 5 20 IIBD CN1C(=O)/C(=C/c2ccc(Br)c([N+](=O)[O-])c2)c2cc(Br)cnc21 794877355 KLSLZIQLLZRVFL-NYYWCZLTSA-N 439.063 4.032 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)c1cc([N+](=O)[O-])ccc1N1CCCC1 798010683 BPRAEYAUXZTZPY-FUHWJXTLSA-N 430.302 4.243 5 20 IIBD C/C(=C/c1ccccc1C(F)(F)F)COC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 800458020 RWRXRNFOJRRHFZ-GHXNOFRVSA-N 443.399 4.277 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CCC(Oc2ccc(C(C)C)cc2)CC1 800597207 LXKCZBKQZJWPLZ-UHFFFAOYSA-N 443.475 4.174 5 20 IIBD COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 802347162 MWZZMQMDINKTDE-UHFFFAOYSA-N 436.299 4.443 5 20 IIBD C[C@H](OC(=O)[C@H](O)c1cccc(C(F)(F)F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 803809359 XSQDOYDXENCCCZ-ZUZCIYMTSA-N 437.330 4.001 5 20 IIBD COc1cc(C)c(Br)cc1C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 803828752 WFAVKDAZXDKKAU-UHFFFAOYSA-N 448.229 4.081 5 20 IIBD O=C(CCCc1ccccc1)N[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 806254057 YNKQLTBZSNEPOP-GOSISDBHSA-N 444.919 4.384 5 20 IIBD CC(C)C[C@H](NC(=O)OC(C)(C)C)c1noc(-c2cc([N+](=O)[O-])c3nsnc3c2)n1 809228431 KUSCZEOWUHGTTF-LBPRGKRZSA-N 434.478 4.261 5 20 IIBD Cc1ccc(NC(=O)Cc2noc(-c3cc([N+](=O)[O-])ccc3N3CCCCC3)n2)c(C)c1 809461915 MEXDQHMOCCHZBY-UHFFFAOYSA-N 435.484 4.433 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1c(F)cc(C(F)(F)F)cc1F 811418146 GJBQJEPRLYNEAL-UHFFFAOYSA-N 429.257 4.299 5 20 IIBD CNC(=O)c1cc(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)cc2F)ccn1 812313217 ADYZIOQIWRRYNB-UHFFFAOYSA-N 444.806 4.187 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H](O)c2ccc(OC)cc2)CC1 812632920 PSJITMJKLOXVGH-NRFANRHFSA-N 430.526 4.301 5 20 IIBD O=C(CCCc1ncc(-c2ccccc2)o1)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 813173408 ANLUSQTWFLQVEU-NRFANRHFSA-N 435.480 4.390 5 20 IIBD COc1cc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)c([N+](=O)[O-])cc1OC 813786023 JNCWKSPIUVTLAT-INIZCTEOSA-N 435.521 4.024 5 20 IIBD O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NCc1nc(-c2ccccc2F)cs1 815039908 ORDFZHGLTOTMEQ-UHFFFAOYSA-N 445.856 4.128 5 20 IIBD CCCS(=O)(=O)c1ccccc1C(=O)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F 815190222 PRTDPJVVTQVIML-UHFFFAOYSA-N 431.388 4.154 5 20 IIBD C[C@H](Oc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1)c1ccccc1 915810762 ILEAMTPFBBTVKU-SFHVURJKSA-N 432.480 4.092 5 20 IIBD CC(C)c1nc2cc(NS(=O)(=O)c3cc(Br)ccc3[N+](=O)[O-])ccc2o1 917739971 WOQSHWBRYKXWPE-UHFFFAOYSA-N 440.275 4.423 5 20 IIBD COc1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)c([N+](=O)[O-])cc1OC 917792135 WOHAANMKKXTTRO-UHFFFAOYSA-N 444.425 4.204 5 20 IIBD CCC(CC)[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1cccs1 917870014 GUWJWBYGHODLFG-VBKZILBWSA-N 433.505 4.442 5 20 IIBD C[C@@H](OC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1nnnn1-c1ccccc1 918967659 STGLUDMVTDFOCV-MRXNPFEDSA-N 444.451 4.101 5 20 IIBD CN(C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1F)[C@@H](c1ccccc1)c1ccc(F)cc1 919251698 POGWDMKTKHYHML-QFIPXVFZSA-N 440.402 4.278 5 20 IIBD C[C@H](OC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 919504792 AADKCGNCQFFBQA-IUCAKERBSA-N 444.246 4.046 5 20 IIBD COC(=O)c1c(CC(=O)Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])[nH]c(C(C)=O)c1C 920330963 RRDXKYUPOYMDFX-UHFFFAOYSA-N 436.420 4.036 5 20 IIBD CSc1cccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 920778980 XEYIYIVDYCSDCB-NEPJUHHUSA-N 438.889 4.308 5 20 IIBD O=C(NCCNc1ccc(Br)cc1[N+](=O)[O-])c1ccccc1C(F)(F)F 1251519823 WLEBTAQONAGBMZ-UHFFFAOYSA-N 432.196 4.218 5 20 IIBD Cc1cc(OCc2nc([C@@H](NC(=O)OC(C)(C)C)c3ccccc3)no2)ccc1[N+](=O)[O-] 1256428828 UIUYTGOPKNVOMB-IBGZPJMESA-N 440.456 4.479 5 20 IIBD COc1ccc(-c2cc(NS(=O)(=O)c3cc(F)ccc3[N+](=O)[O-])ccc2OC)cc1 1317893637 OADHCCSFNIFZJP-UHFFFAOYSA-N 432.429 4.219 5 20 IIBD O=C(CCc1ccc2c(c1)CCO2)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 1319536330 JDUDRPQEAAYTKD-UHFFFAOYSA-N 432.432 4.320 5 20 IIBD COc1cccc(C(=O)NCCSc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-] 1337441616 IIDCDRUGLKKHAR-UHFFFAOYSA-N 435.811 4.193 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(NCc3ccc([N+](=O)[O-])cc3Br)cc2)C[C@@H](C)O1 1342916087 RRIGBXZNEQPLNM-ZIAGYGMSSA-N 448.317 4.219 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)NC1(c2ccc(NC(=O)[C@@H]3C[C@H]3C3CC3)cc2)CCC1 1786049530 SEWLYKHLYFNCOI-BJIJGURPSA-N 435.480 4.381 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3cccc4c[nH]nc34)cc2)CCC1)c1ccc([N+](=O)[O-])o1 1788451440 PBKYLRKXYAEYKZ-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccncc3)CCC2)cc1)c1cc(F)cc([N+](=O)[O-])c1 1790696784 WMAIZZWIPDSOJR-UHFFFAOYSA-N 434.427 4.190 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)NC1(c2ccc(NC(=O)C34CC(C3)C4)cc2)CCC1 1792035693 JEWGPRZYYOLOOV-UHFFFAOYSA-N 435.480 4.157 5 20 IIBD CC[C@@H](C)[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C2)c1ccccc1 1795574899 SOTHFZIXPRBWAP-DRASZATQSA-N 438.528 4.005 5 20 IIBD C[C@@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 1800352794 YBGDUFDNRFVBMR-KANFNMMFSA-N 439.487 4.180 5 20 IIBD CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[nH]n1 1816777621 UGKMWGOCXWPRNF-HNNXBMFYSA-N 427.486 4.249 5 20 IIBD COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)o2)cc1 8633424 JVSBKOGAFHEVRA-JTQLQIEISA-N 434.861 4.426 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nc2sc(C)c(C)c2c1=O 9358055 XJVDHDPWKSOIDD-LBPRGKRZSA-N 432.527 4.122 5 20 IIBD COc1cc(C(=O)N[C@H](C)c2ccc(Br)cc2)c([N+](=O)[O-])cc1OC(F)F 10965547 QIHJGBGGOKJBMT-SECBINFHSA-N 445.216 4.458 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCc2sccc2[C@H]1c1cccs1 15548639 FRLPRVXMPJDLHA-FQEVSTJZSA-N 429.523 4.313 5 20 IIBD C[C@H](Sc1nnnn1-c1ccc(Cl)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 17538618 XVUUIMLSCQDYJR-JTQLQIEISA-N 429.849 4.127 5 20 IIBD Cc1ccc([C@@H](NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c2ccccc2)cc1 18086789 LQVSVLWNPWIRHL-DEOSSOPVSA-N 445.475 4.497 5 20 IIBD C[C@@H](OC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2)C(N)=O 20894296 SLROIPNNWYGZAG-RGHBXIHOSA-N 431.448 4.051 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N(Cc1ccco1)Cc1cccs1 26782230 NNXCCDQFEVSVDT-UHFFFAOYSA-N 441.465 4.166 5 20 IIBD COc1cc(CCNC(=O)CCc2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OC 46577687 NLDFVRMESYLEKZ-UHFFFAOYSA-N 427.284 4.210 5 20 IIBD Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 64895499 NNSYJMNLMZBLRX-UHFFFAOYSA-N 437.525 4.031 5 20 IIBD COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1OCc1cn2ccccc2n1 71945263 NIUIHDDWDAGXNO-UHFFFAOYSA-N 432.436 4.391 5 20 IIBD Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C 97542638 VJZACYRBHSXZLP-UHFFFAOYSA-N 426.448 4.463 5 20 IIBD Cn1ncc2c1CCC[C@@H]2NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 237827108 HFGPUCPLOXWICP-QFIPXVFZSA-N 428.496 4.348 5 20 IIBD CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 302081377 XYHYDPABARMXGV-CQSZACIVSA-N 441.875 4.042 5 20 IIBD C[C@H]1[C@@H](C)SCCN1C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 303684245 JYEKSAXYAYLCFV-QWHCGFSZSA-N 431.480 4.182 5 20 IIBD COc1ccc([C@H]2C[C@H](Nc3cnn(-c4ccc([N+](=O)[O-])cc4)c(=O)c3Cl)C2)cc1F 409519147 MXUIEINAXCPFNP-HDJSIYSDSA-N 444.850 4.300 5 20 IIBD CC(C)[C@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc2c(c1)OCCO2 426223701 DPPZIPIZEYHYHM-QFIPXVFZSA-N 425.485 4.437 5 20 IIBD COC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1Br 427167087 LFIUDVIACFWXJF-UHFFFAOYSA-N 447.163 4.415 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cc(Cl)ccc1Cl 427479308 KTQDMGQXCWPQKJ-QMMMGPOBSA-N 448.209 4.319 5 20 IIBD COc1ccc(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1NC(N)=O 427939280 HYKHCVALBPKKBJ-UHFFFAOYSA-N 438.465 4.498 5 20 IIBD CCOc1cc(-c2noc(-c3n[nH]c(C(C)C)c3[N+](=O)[O-])n2)cc(Br)c1O 437006273 ZXNQOSLLJCVJMI-UHFFFAOYSA-N 438.238 4.025 5 20 IIBD Cc1cncc(N(Cc2ccc(F)cc2)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1 441407246 SWKLLWGLLXTZIV-UHFFFAOYSA-N 431.427 4.470 5 20 IIBD C[C@@H](NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc(Br)s1 443345624 UTTGOMQTDXFFBR-SNVBAGLBSA-N 426.292 4.068 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H](c2c[nH]c3ccccc23)C(F)(F)F)c1C 443445958 NWAQEFKFKRIIBP-QGZVFWFLSA-N 427.404 4.275 5 20 IIBD COc1cc(CC2CN(C(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)C2)cc(OC)c1 444111056 SGMKJADCNBDOCG-UHFFFAOYSA-N 446.478 4.152 5 20 IIBD COc1cc(Cc2noc(-c3cnn(-c4cccc(C)c4)c3C)n2)c([N+](=O)[O-])c(OC)c1 445819404 QGTGBSKBAPZWAR-UHFFFAOYSA-N 435.440 4.055 5 20 IIBD C[C@@H](CCCO)NC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 447121664 MCXGGTWVHXEZQC-LBPRGKRZSA-N 425.844 4.140 5 20 IIBD CN1CC[C@H](CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)[C@@H]1c1ccc(Cl)c(F)c1 447586056 LCQQSXXSOIVZDK-ZXFPDNNPSA-N 435.931 4.350 5 20 IIBD C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCCO2)[C@@H]2CCCC[C@@H]12 461882971 XLDUBDIDAJVTEM-MBPVOVBZSA-N 425.533 4.437 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@@H]2CCO[C@H](C3CC3)C2)c([N+](=O)[O-])c1 462695278 GLKRJCCZIVKZLN-VGSWGCGISA-N 445.541 4.180 5 20 IIBD COc1ccc(-c2ccc(CN[C@@H]3CC(=O)N([C@@H]4C[C@H]4c4ccccc4)C3)o2)c([N+](=O)[O-])c1 462757673 RGQUHUCAGHNDPJ-VOQZNFBZSA-N 447.491 4.110 5 20 IIBD COc1cc(Br)c(S(=O)(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc1Cl 463439776 LPFILFSOPYQTPN-UHFFFAOYSA-N 449.710 4.437 5 20 IIBD CCC(C)(C)c1ccc(NC(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)cc1 468736563 HCHULNHCTGUDCI-UHFFFAOYSA-N 438.528 4.203 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H](OCc3ccccc3)C2(C)C)cc1SC 471678420 JARKPXLOQMIBLF-UXHICEINSA-N 430.526 4.439 5 20 IIBD COc1cc(OC)cc(N2CCCN(C(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)c1 473878012 OXZHGQPAUMZMKT-UHFFFAOYSA-N 427.501 4.088 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)cc1 474342085 NJRLTXOWVLOUEL-LJQANCHMSA-N 430.461 4.040 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(F)cc(NCC(F)(F)F)c2)c2ncccc12 475791442 PSKSWFBFKWAHHV-UHFFFAOYSA-N 444.366 4.057 5 20 IIBD COc1cc(C(=O)Nc2cc(C)nn2[C@H]2CCN(Cc3ccccc3)C2)cc([N+](=O)[O-])c1C 478326737 CBSLISRCQDFPEF-FQEVSTJZSA-N 449.511 4.116 5 20 IIBD O=C(NCCCOc1ccc(C(F)(F)F)cn1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 479796578 MMDRADJAUUNHMC-UHFFFAOYSA-N 438.406 4.152 5 20 IIBD Cc1nn(-c2ccccc2)cc1CCCNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] 480445433 IUSHXBVORMVYPQ-UHFFFAOYSA-N 444.495 4.098 5 20 IIBD COc1cc(C(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cc([N+](=O)[O-])c1C 480591113 HKIXMKHDXYDIOS-XOBRGWDASA-N 435.883 4.127 5 20 IIBD CCOc1ccc(-n2c(SCc3cccc([N+](=O)[O-])c3)nnc2-c2cnccn2)cc1 481337464 HZPVKDAXBWTVSE-UHFFFAOYSA-N 434.481 4.324 5 20 IIBD O=C(NCc1ccc(N2CCCC2)nc1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 481547500 UZNJGUCRIFNJTN-UHFFFAOYSA-N 431.496 4.132 5 20 IIBD CCCCN1C(=O)C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H]1c1ccc(OC)cc1 481715867 YRQWFPQABMPNRO-AVRDEDQJSA-N 425.485 4.240 5 20 IIBD Cn1cnnc1Sc1ccc(-c2nc(-c3ccc(N4CCCC4)cc3)no2)cc1[N+](=O)[O-] 482529255 BBGLULOHPPLHJN-UHFFFAOYSA-N 449.496 4.192 5 20 IIBD Cc1oc(CNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)cc1C(=O)O 485842245 BYWCWRBPAQONDJ-UHFFFAOYSA-N 443.843 4.390 5 20 IIBD Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)C2)cc1 486603595 LZZDWGRQSHSTBT-CRAIPNDOSA-N 437.525 4.201 5 20 IIBD C[C@H](NC(=O)[C@@](N)(c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 488010104 AKJLFHIOCHZJRT-QFYYESIMSA-N 435.324 4.207 5 20 IIBD CCOc1ccc(NC(=O)CNc2cc(Cl)ccc2OC[C@H]2CCOC2)c([N+](=O)[O-])c1 488129555 CLWSXNBTMQXYJV-AWEZNQCLSA-N 449.891 4.113 5 20 IIBD COc1c(F)cc(S(=O)(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)cc1[N+](=O)[O-] 488289613 UKCSIPHHLKZLPP-UHFFFAOYSA-N 433.417 4.039 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)c1C 488398061 MHLZPXJXICWWIV-UHFFFAOYSA-N 438.918 4.108 5 20 IIBD C[C@H](c1ccccc1Cl)N(C)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 488893326 SNBYOLAKZGIRKW-SNVBAGLBSA-N 433.711 4.392 5 20 IIBD C[C@@H](CO)N(C[C@H](C)c1ccccc1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 489499417 NZTQAOMARRJIAT-PMACEKPBSA-N 428.532 4.168 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C/C(C)=C\c1ccccc1 494854098 RDKXNTZGWYDUIJ-JIHAQRTOSA-N 441.553 4.008 5 20 IIBD COc1ccc(C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)cc1 500710591 MAGTWQYOWQFIAM-UHFFFAOYSA-N 437.521 4.290 5 20 IIBD CCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)Nc1c(Cl)cccc1Cl 501080218 SERMZTAZSMOCKS-UHFFFAOYSA-N 439.299 4.191 5 20 IIBD CCOC(=O)c1c(NC(=O)c2cc(OCC)c(OC)cc2[N+](=O)[O-])sc(C)c1CC 502892670 LZZJRGVUPAJJPL-UHFFFAOYSA-N 436.486 4.363 5 20 IIBD CCC[C@H](NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)c1nnc2ccccn12 504758180 YOQCRIYDUASRHM-WMZOPIPTSA-N 436.516 4.145 5 20 IIBD COc1ccc(Br)cc1[C@H]1CCCN1C(=O)COc1ccccc1[N+](=O)[O-] 504938017 YQWBOUJZUPVOSX-OAHLLOKOSA-N 435.274 4.108 5 20 IIBD CCC1(C)CCN(C(=O)c2ccccc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 504953336 JDCGDQFEGWQYSE-UHFFFAOYSA-N 445.541 4.356 5 20 IIBD C[C@@H](c1ccccc1F)N1CCC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1=O 505422779 QYXQAXSBXMJQDW-UGSOOPFHSA-N 441.484 4.431 5 20 IIBD C[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccc(-n2cccn2)c(F)c1 508760222 BFKNWIRZXAILHH-HNNXBMFYSA-N 426.451 4.497 5 20 IIBD C[C@H]1CN(c2ccc(CNCc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)cn2)CCO1 509598800 GVZWCOWDUHRLFG-IBGZPJMESA-N 447.539 4.273 5 20 IIBD CCOc1cc(NC(=O)N[C@H](C)[C@@H]2CCCN(C3CCC3)C2)c([N+](=O)[O-])cc1OCC 511226909 FVWUMLKTRQXSLO-HZPDHXFCSA-N 434.537 4.167 5 20 IIBD C[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1nc2ccccc2n1C(F)F 515287717 OJYFBTVVUISGMB-LBPRGKRZSA-N 426.383 4.016 5 20 IIBD Cc1c(CNC(=O)C(=O)N(C)[C@H](C)c2ccc(-c3ccccc3)cc2)cccc1[N+](=O)[O-] 515902561 JZMMMIGPCSLGOB-GOSISDBHSA-N 431.492 4.406 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc(-c2cccc(Br)c2)s1 517667670 DWSZNINSSIXPQW-UHFFFAOYSA-N 435.259 4.137 5 20 IIBD O=C(N[C@@H](c1ccc(Cl)cc1)C1CCC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 519078772 YVZJYHMQNTYIKL-HXUWFJFHSA-N 429.908 4.016 5 20 IIBD COc1ccc(Cl)cc1-c1cc(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)n[nH]1 521180331 WAANOAMUAZFNPJ-UHFFFAOYSA-N 439.815 4.153 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2c2nc(-c3ccc4ncccc4c3)no2)ccc1[N+](=O)[O-] 521940295 GDUKLNSTKGFDHR-FQEVSTJZSA-N 429.436 4.479 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C[S@@](=O)C2CCOCC2)c1 522403078 DWAOUWBVNGLVPZ-DHMKHTPVSA-N 448.566 4.142 5 20 IIBD CS(=O)(=O)Nc1ccc(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 522672291 GAWUWBJAJGFCRY-UHFFFAOYSA-N 427.438 4.011 5 20 IIBD Cc1sc(NC(=O)CCc2nc(-c3ccoc3)no2)nc1-c1cccc([N+](=O)[O-])c1 523508835 XRUITYHMGHPJPX-UHFFFAOYSA-N 425.426 4.241 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1[N+](=O)[O-] 524639373 JKCFZCXFOSTXDV-DQLDELGASA-N 440.521 4.091 5 20 IIBD O=C(COc1ccc(Br)cc1[N+](=O)[O-])NCCCSc1ccccc1 525626227 MONDGQQRYSJOQK-UHFFFAOYSA-N 425.304 4.035 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(CSCc2ccccc2)c1 536210862 UATPQIQBQFBBPL-UHFFFAOYSA-N 449.532 4.326 5 20 IIBD CCOc1ccc(CCNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])cc1OCC 537729477 QAVGJNKQPWOVAC-UHFFFAOYSA-N 435.480 4.427 5 20 IIBD C[C@@H]1Oc2ccc(C(=O)C3CCN(Cc4ccc([N+](=O)[O-])cc4Cl)CC3)cc2NC1=O 541071024 QACAVTXJSNWZHT-ZDUSSCGKSA-N 443.887 4.063 5 20 IIBD CC(C)(C)Oc1c(F)cc(NC(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1F 541135330 PWOFLMQRCUKFJM-UHFFFAOYSA-N 449.454 4.128 5 20 IIBD O=C(NCC1(N2CCCC2)CCOCC1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 543520989 ISBXEUMVKFGPNG-UHFFFAOYSA-N 447.601 4.252 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC2(CC1)OCCc1ccsc12 544060210 WIABAHNKVLJDPW-UHFFFAOYSA-N 438.958 4.492 5 20 IIBD Cc1ccc(-c2noc([C@H]3CCN(c4ccccc4Br)C3=O)n2)cc1[N+](=O)[O-] 544960311 AHNHXZUPZCNTTJ-CYBMUJFWSA-N 443.257 4.236 5 20 IIBD Cc1cc(C)n(-c2ccc(Cc3noc(-c4ccn(-c5cccc([N+](=O)[O-])c5)n4)n3)cc2)n1 545542364 NGUQUZSKCYOFIX-UHFFFAOYSA-N 441.451 4.224 5 20 IIBD C[C@@H](CNC(=O)c1ccccc1)c1noc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 545760069 MZUGEXJNMOTSLJ-ZDUSSCGKSA-N 435.465 4.302 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1noc(C2CCN(c3nc4ccccc4o3)CC2)n1 546376160 BVRKDEAGSBXUER-UHFFFAOYSA-N 434.456 4.158 5 20 IIBD COCCOc1cc(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)nc2ccccc12 547266841 SDRJERSHUMGTKE-UHFFFAOYSA-N 445.435 4.290 5 20 IIBD Cc1nc(-c2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])cc2Cl)n[nH]1 547959891 JVZVQIBBNJAMNB-VIFPVBQESA-N 436.255 4.401 5 20 IIBD COc1cc(OC)cc(C2(F)CCN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CC2)c1 549118054 PYLKYVMXSSRRME-UHFFFAOYSA-N 442.447 4.123 5 20 IIBD CC1CCN(c2ccc(C(=O)N3C[C@H](c4ccccc4)[C@H]4COCC[C@@H]43)cc2[N+](=O)[O-])CC1 561189344 GKHZOQLYJPVPPR-ZLNRFVROSA-N 449.551 4.476 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CC[C@](CO)(Cc2ccc(F)cc2)C1 564061844 FISSIEABGIMHLH-KRWDZBQOSA-N 449.351 4.215 5 20 IIBD C[C@@H](C(=O)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 564536830 WKEFLKKWEIWGKT-ACJLOTCBSA-N 444.837 4.346 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(OCc2csc(-c3ccc(OC)cc3OC)n2)c1 569731150 ZJINDCPHYQOIMG-UHFFFAOYSA-N 430.438 4.101 5 20 IIBD CC1CCN(c2ccc(C(=O)N3Cc4cnn(-c5ccccc5)c4C3)cc2[N+](=O)[O-])CC1 573161390 UHOKKARGHPKRID-UHFFFAOYSA-N 431.496 4.173 5 20 IIBD C[C@@H](c1nc(O)c2c3c(sc2n1)C[C@H](C)CC3)N1CCOc2ccc([N+](=O)[O-])cc2C1 574203100 MVJMRWFUDDREOH-OLZOCXBDSA-N 440.525 4.386 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ncc(-c3cccc(C)c3)s2)cc1OC 578001527 UJDUEJYNRWEUAP-UHFFFAOYSA-N 443.481 4.313 5 20 IIBD O=C(NCCn1cc(Br)cn1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 581361801 SKIZJIDKICHIRV-UHFFFAOYSA-N 447.314 4.135 5 20 IIBD COc1cc(Cc2noc(/C=C(/C)Cc3ccccc3OC)n2)c([N+](=O)[O-])c(OC)c1 582884422 KLJAQQCYWAHIRT-UVTDQMKNSA-N 425.441 4.240 5 20 IIBD O=C(c1cc(N2CCC(c3nc(-c4ccccc4)no3)CC2)ccc1[N+](=O)[O-])N1CCCC1 589571885 FJVCJSLAWCCXHV-UHFFFAOYSA-N 447.495 4.265 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1nn(-c2ccccc2F)c2c1CCC2 603637861 AWLUZGSYOMZSKC-UHFFFAOYSA-N 432.358 4.262 5 20 IIBD COc1cc(CCNC(=O)[C@H](C)Oc2cccc(C(C)(C)C)c2)c([N+](=O)[O-])cc1OC 603752183 IDMHNLDMACVJQT-HNNXBMFYSA-N 430.501 4.036 5 20 IIBD CCc1cccc(Cc2cnc(NC(=O)c3nnn(-c4cccc([N+](=O)[O-])c4)c3C)s2)c1 603772192 HWQRGJNJFDOGEY-UHFFFAOYSA-N 448.508 4.346 5 20 IIBD CCCNC(=O)c1cccc(CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c1 603909844 VIRVNCUQUFHTLA-UHFFFAOYSA-N 432.480 4.408 5 20 IIBD O=C(NCCC(=O)N(Cc1cccs1)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 603990662 IVHFYXCOPLVVEO-UHFFFAOYSA-N 427.457 4.149 5 20 IIBD COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 604040276 CZERFCWBPLBVLD-OAHLLOKOSA-N 431.297 4.436 5 20 IIBD COCCOc1ccccc1CNC(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 604199697 TWCAVDNUQRNVSV-HDICACEKSA-N 441.528 4.032 5 20 IIBD CCSc1ccc([C@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 609504880 ITVKDAGZPOKWIB-XJKSGUPXSA-N 433.555 4.250 5 20 IIBD CN1CC[C@H](CNC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 609521509 MAXAUOKOBRKJJV-CYBMUJFWSA-N 439.459 4.446 5 20 IIBD CN(CCOc1ccc(Br)cc1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl 609783922 SZXBVKQBJPICQS-UHFFFAOYSA-N 427.682 4.091 5 20 IIBD O=C(Nc1cccc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)c1)[C@@H]1Cc2ccccc2O1 609859386 GFSJUOZEBNXCBD-QHCPKHFHSA-N 443.459 4.130 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F 609941471 RNDRDQQTLZZJHV-UHFFFAOYSA-N 443.859 4.203 5 20 IIBD O=C(Cn1c(COc2ccccc2)nc2ccccc21)N1CCc2c1cccc2[N+](=O)[O-] 609972295 FNDQMUMDYMMHTG-UHFFFAOYSA-N 428.448 4.113 5 20 IIBD O=C(CCC1CCCCC1)N1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 610105623 QYMLIZVHMHPGHD-UHFFFAOYSA-N 444.576 4.132 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 610614305 LMLAQAKRDQEKQD-QNSHHTMESA-N 433.736 4.248 5 20 IIBD COc1cc(C(=O)Nc2nc3c(s2)CCN(Cc2ccccc2)C3)cc([N+](=O)[O-])c1C 616240404 DPNXYXUNRVQEJI-UHFFFAOYSA-N 438.509 4.179 5 20 IIBD O=C(CN1CCCC[C@H]1c1nc(-c2ccccc2)no1)Nc1ccc(Cl)c([N+](=O)[O-])c1 726869467 JQTRJQAZAXOFQE-KRWDZBQOSA-N 441.875 4.464 5 20 IIBD C[C@H](OC(=O)CC[C@H](O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 726870699 KNIUQQAYOJNYNU-YWZLYKJASA-N 428.485 4.276 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(CC[C@H](O)c2ccccc2)cc1 727360236 IBWJAOJPWRVTPL-NRFANRHFSA-N 426.494 4.370 5 20 IIBD O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1cc(F)c(F)cc1[N+](=O)[O-] 727710580 PMIGBZWESBTJST-UHFFFAOYSA-N 444.356 4.370 5 20 IIBD CS(=O)(=O)c1ccc(Nc2ccc(CC[C@@H](O)c3ccccc3)cc2)c([N+](=O)[O-])c1 727757407 FNQZSSMWTDASOQ-JOCHJYFZSA-N 426.494 4.408 5 20 IIBD CCN(CC)C(=O)N1CCC(C(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 728165616 LSIIAWHXXZCSBA-UHFFFAOYSA-N 436.940 4.165 5 20 IIBD CC(=O)c1ccc(N2CCC(OC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CC2)cc1 730414145 CQASUEWUUXDEGH-UHFFFAOYSA-N 448.479 4.024 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 731035729 XIRAWWISAVUTKG-XCLFUZPHSA-N 435.883 4.160 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCC(c2cccc3ccccc23)CC1 731621539 BLUPUHMRIDWGSU-UHFFFAOYSA-N 448.475 4.354 5 20 IIBD Cc1ccc(-n2ncc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)c2C(F)(F)F)cc1 731711552 DQFSEABVCPLZKG-UHFFFAOYSA-N 433.342 4.147 5 20 IIBD CCS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1Cl 731976421 XXYSMFFKYQSHFY-JTQLQIEISA-N 431.297 4.186 5 20 IIBD Cc1c(C(=O)N(Cc2ccccc2)CC2CCOCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 732008039 PSSMCECINCALCI-UHFFFAOYSA-N 427.457 4.189 5 20 IIBD O=C(OCc1nc(-c2ccccc2)cs1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 732498117 XQYZCSZJAPRTNE-HNNXBMFYSA-N 443.506 4.128 5 20 IIBD CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 733107144 HTHXAAGUALFHIO-UHFFFAOYSA-N 440.725 4.215 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1COC(=O)Cn1c2ccccc2c(=O)c2ccccc21 733431968 HMDCSRDUUCCEDM-QGZVFWFLSA-N 436.508 4.097 5 20 IIBD O=C(N[C@@H](Cc1ccccc1)c1cccs1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 735188446 DXIWGCURHNJMJC-NRFANRHFSA-N 436.537 4.472 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(CS(=O)(=O)Cc2cc(Cl)c3c(c2)OCCCO3)c1 735563558 WTGSVVCBQIXKFL-UHFFFAOYSA-N 432.281 4.178 5 20 IIBD COc1ccc(-n2c(C)nnc2SCC(=O)Oc2cc([N+](=O)[O-])c(Cl)cc2C)cc1 735643588 OHDDANUASGGZRC-UHFFFAOYSA-N 448.888 4.152 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(=O)NCc1ccc(Cl)cc1 744553786 IBUDFMPBWNPGKI-OAHLLOKOSA-N 445.903 4.100 5 20 IIBD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1NC(=O)CC(C)C 745296867 XPVVKKMYQACSNG-OAHLLOKOSA-N 427.457 4.072 5 20 IIBD O=C(COC(=O)[C@@H]1SCCc2ccccc21)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 745471902 BVNCSUCLKIYDAO-QGZVFWFLSA-N 440.399 4.126 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)ccc2OC(F)F)cccc1[N+](=O)[O-] 748915791 CBNQYJZZILUMHA-SNVBAGLBSA-N 428.775 4.342 5 20 IIBD CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccccc1 750198921 XHOXVNDANOJXJY-FQEVSTJZSA-N 437.883 4.252 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])cc2)C[C@@H](C)O1 750822623 UVRDBXWZBVOJPD-BETUJISGSA-N 434.290 4.223 5 20 IIBD Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccc(Br)cc2[N+](=O)[O-])c(C)c1 750963493 DRLYSXMFRJZUBP-CYBMUJFWSA-N 435.274 4.467 5 20 IIBD O=C(OCc1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1I 751052359 AGCYMWWZYWZPBC-UHFFFAOYSA-N 440.218 4.166 5 20 IIBD Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)OCc3nc4cc([N+](=O)[O-])ccc4o3)C2)c1 751652058 RGINSKOEBZTVFO-OAHLLOKOSA-N 438.440 4.032 5 20 IIBD CCc1ccc([C@H](NC[C@H](O)c2cc(OC)ccc2OC)c2ccc([N+](=O)[O-])cc2)o1 753610273 AYPOCMBZVWOHRF-NZQKXSOJSA-N 426.469 4.180 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC[C@H]1Cn1cnc2ccccc21 756477734 RGAHJMBZCZIEEO-AWEZNQCLSA-N 444.289 4.404 5 20 IIBD COC(=O)CCSCc1cccc(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c1 757219358 APBJOAQGMOYUSG-UHFFFAOYSA-N 437.905 4.366 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])O[C@@H]([C@@H]1CCCO1)C(F)(F)F 758003489 DELKFZCKOLOREI-GWCFXTLKSA-N 433.326 4.359 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 758803182 WHTQZTSKIFAGOA-PMPSAXMXSA-N 437.562 4.227 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)O[C@H](C(=O)NCc1ccccc1)c1ccccc1 759145399 GZIWSSFEYUOSAY-QFIPXVFZSA-N 436.489 4.288 5 20 IIBD CC(=O)Nc1cc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc(C(F)(F)F)c1 760323172 LRBFPIBWCUWYIP-UHFFFAOYSA-N 429.782 4.498 5 20 IIBD COc1ccc(-c2nn(-c3ccccc3)cc2COC(=O)c2ccc([N+](=O)[O-])n2C)cc1 761062617 WAZYSMCKMUTARU-UHFFFAOYSA-N 432.436 4.152 5 20 IIBD Cc1c(C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccn(C)n2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 762485698 NENWUHJLDVJGCV-SFHVURJKSA-N 443.847 4.026 5 20 IIBD CN1CC[C@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 762724847 DAECMXZSUXNWGC-PXAZEXFGSA-N 426.275 4.464 5 20 IIBD CCOC(=O)Nc1ccc(Br)cc1NC(=O)c1ccc([N+](=O)[O-])cc1F 764541494 UTNQBYNPNBGBBF-UHFFFAOYSA-N 426.198 4.317 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)CCNC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 766426790 CQHSQVIZGRSCNT-UHFFFAOYSA-N 446.935 4.152 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Oc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 767595122 FIFOSTVJHVUKMM-AWEZNQCLSA-N 436.486 4.257 5 20 IIBD COc1ccc(Br)c(CC(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 769695224 VEJLUIIZBRWQAR-UHFFFAOYSA-N 447.241 4.307 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCc3[nH]c4c(Br)cccc4c3C2)c([N+](=O)[O-])c1 774851447 CPXWOMXEHMLOOR-UHFFFAOYSA-N 431.246 4.305 5 20 IIBD CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C[C@H](O)c1ccc([N+](=O)[O-])cc1 776580366 XGXFXWQHSCGRQB-SFHVURJKSA-N 426.300 4.286 5 20 IIBD COc1cc([C@@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)C(F)(F)F)cc(OC)c1OC 778530963 DMIWJULAFCYHQN-MRXNPFEDSA-N 445.419 4.211 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCC[C@@](OC)(C(F)(F)F)C2)c1=S 780495439 FBWLCTKYXPUNQB-KRWDZBQOSA-N 445.467 4.010 5 20 IIBD C[C@H](c1cccs1)N(C)C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 787808469 GOFUDTCPJFHVRT-SECBINFHSA-N 431.255 4.486 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(COc3cc(F)c(Br)cc3[N+](=O)[O-])n2)cc1 790296415 QJHDDIXSULBKHI-UHFFFAOYSA-N 439.153 4.034 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCc1cc(Cl)c2c(c1)OCCCO2 790482263 JVJNFWIWLXDBCM-UHFFFAOYSA-N 429.231 4.061 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@H]1CCCN(Cc2cccs2)C1 790544982 AIGWLRYBUXAGNJ-CYBMUJFWSA-N 425.913 4.020 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])OCc1nnc(-c2ccccc2Cl)o1 790739542 DOVSLRBKVFXGOJ-UHFFFAOYSA-N 426.187 4.377 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1cccc(-c2cn3cccnc3n2)c1 790843348 BVWOMJMXDGJDSL-UHFFFAOYSA-N 425.807 4.278 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCc1nccn1CCCc1ccccc1 790874495 GXRJJDLFBQUNIH-UHFFFAOYSA-N 430.867 4.076 5 20 IIBD CN(C)c1cc(F)c(C(=O)N(Cc2ccccc2)C[C@H](O)c2cccs2)cc1[N+](=O)[O-] 791385374 MHXUPGZOPKSFOQ-FQEVSTJZSA-N 443.500 4.237 5 20 IIBD C[C@H](C(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F 794036739 FEUKVWZRKIDUCG-WMZOPIPTSA-N 443.475 4.002 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl 800602774 IXXYSQMUFOZVCW-SECBINFHSA-N 428.247 4.208 5 20 IIBD O=C(NC1CCCC1)OC[C@@H]1CCCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 810035076 IHOQOHWELMBCSZ-FQEVSTJZSA-N 428.489 4.273 5 20 IIBD CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3Cl)cc2c1C 811831903 JACKEUVPIFCCPU-UHFFFAOYSA-N 438.845 4.280 5 20 IIBD C[C@H]1CCCN(c2cc(C(=O)O[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)ccn2)C1 812653795 QQDQXICDQBDPAN-UONOGXRCSA-N 446.891 4.064 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)C1 816122746 HOABAHHQDGWFRY-LJQANCHMSA-N 443.422 4.087 5 20 IIBD Cn1cc(-c2nc(-c3ccccc3Br)no2)c(-c2ccc([N+](=O)[O-])cc2)n1 904963731 KWXKNMKJUIAKQR-UHFFFAOYSA-N 426.230 4.475 5 20 IIBD COc1ccc(C(=O)O[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)c(N)c1 915410674 XAIIPGWALWYZBR-OAQYLSRUSA-N 435.436 4.031 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(C)[C@@H](C)c1cccc(C(F)(F)F)c1 915663348 KNPUHADBGOXXBF-LBPRGKRZSA-N 440.374 4.033 5 20 IIBD Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)C2)c1 917983541 IYIKJSWIVVZIBY-MRXNPFEDSA-N 444.919 4.459 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC1CCCC1 919447566 HDYJYSUXMIMVCA-AWEZNQCLSA-N 428.441 4.109 5 20 IIBD COCCOc1ccc(S(=O)(=O)Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])cc1 920317815 WZLZFQYFWBCUGU-UHFFFAOYSA-N 429.450 4.055 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)c2ccccc2)c([N+](=O)[O-])cc1OCc1cscn1 920652287 JVQRFLOGAOJKOY-ZDUSSCGKSA-N 442.449 4.067 5 20 IIBD C[C@H](OC(=O)COc1ccccc1C(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 921180612 LOKSJUYVHUFJOI-ZDUSSCGKSA-N 434.876 4.495 5 20 IIBD CN1C(=O)CC[C@H](C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)[C@@H]1c1ccc(C(F)(F)F)cc1 1318739163 FFLOLTVYUUCILD-ICSRJNTNSA-N 447.413 4.066 5 20 IIBD CN(Cc1ccc([N+](=O)[O-])cc1Br)C1CCN(C(=O)OC(C)(C)C)CC1 1320409549 VJTFVQMPKNUHKM-UHFFFAOYSA-N 428.327 4.189 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N2CC[C@@](CO)(C(C)C)C2)cc1[N+](=O)[O-] 1326100001 PMTJGYUMJBSFTJ-HSZRJFAPSA-N 442.537 4.028 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(-c2ccc3ccccc3n2)o1 1328107811 AUTVEHYQZFXECX-LJQANCHMSA-N 449.492 4.417 5 20 IIBD O=C(Nc1nnc(-c2ccncc2)s1)c1cc(Br)cc([N+](=O)[O-])c1Cl 1336414803 SVGLRLFWPHTEAD-UHFFFAOYSA-N 440.666 4.177 5 20 IIBD O=C(Cc1cccc(F)c1)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1 1785747750 IYJIJYVRPZFTQJ-UHFFFAOYSA-N 437.427 4.317 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)NC1(c2ccc(NC(=O)[C@@H]3CC3(F)F)cc2)CCC1 1789136042 UJNDZRMAIPXLCK-KRWDZBQOSA-N 447.413 4.066 5 20 IIBD CCc1ncsc1C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1 1790196334 GJKVYRLTESQZSC-UHFFFAOYSA-N 440.481 4.268 5 20 IIBD C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1 1790556973 IJMWBHIGVJTCEQ-MRXNPFEDSA-N 449.463 4.403 5 20 IIBD CO/C=C(\C)C(=O)NC1(c2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2)CCC1 1790697443 KBDRGVKQKRHCKI-BUHFOSPRSA-N 427.432 4.032 5 20 IIBD Cc1cccc(Cl)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(F)c1[N+](=O)[O-] 1800530246 GYTJURDOZTZRBZ-QDMKHBRRSA-N 445.878 4.261 5 20 IIBD CC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCc2cc(C)c(F)cc2[N+](=O)[O-])CC1 1824370015 HKIQZKPGKOPDDT-NRFANRHFSA-N 433.524 4.005 5 20 IIBD CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)CC1 1826237100 IJBQDLRLNGGQID-LJQANCHMSA-N 447.963 4.211 5 20 IIBD CCC[C@H]1CC[C@H](C(=O)N2CC3(CCCN3C(=O)c3ccc([N+](=O)[O-])cc3F)C2)CC1 1845315752 NMEIXMOYRFFKPA-QAQDUYKDSA-N 431.508 4.157 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1c(F)cc(F)cc1Br 9653204 QHDADNMBSVALBS-UHFFFAOYSA-N 449.591 4.084 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 10908268 YFKIOOHKWDTUIL-UHFFFAOYSA-N 446.438 4.282 5 20 IIBD CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 15648039 BJHFYVHTBRUAFE-UHFFFAOYSA-N 440.283 4.401 5 20 IIBD O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 16172947 OBLRFFMDGYSHTK-UHFFFAOYSA-N 430.464 4.351 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccc(Cl)c3)o2)c([N+](=O)[O-])c1 18595798 RJVXLKIYNPWXHL-SNVBAGLBSA-N 434.861 4.426 5 20 IIBD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)ccc1[N+](=O)[O-] 21346048 MFFIVEOAKFAJTG-SNVBAGLBSA-N 441.318 4.014 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCCc3ccc4c(c3)OCO4)cc2[N+](=O)[O-])n1 24381137 ACPHZKCGHQQULM-UHFFFAOYSA-N 443.506 4.212 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2ccc([N+](=O)[O-])s2)c2ccccc2)c([N+](=O)[O-])c1 28386380 ABQZGKQAZSRILW-GOSISDBHSA-N 441.421 4.410 5 20 IIBD Cc1cc(C)n(-c2ccc(CNC(=O)c3ccc([N+](=O)[O-])c(O)c3)c(C(F)(F)F)c2)n1 63332356 VHVVWNUWSSZTTN-UHFFFAOYSA-N 434.374 4.052 5 20 IIBD CC(C)CCOc1cccc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c1 64424149 HVGRCVHBDCNSRH-UHFFFAOYSA-N 427.457 4.347 5 20 IIBD O=C1c2ccccc2N[C@H](/C=C\c2ccccc2[N+](=O)[O-])N1c1ccc2c(c1)OCCO2 96794999 RQOSEXMETNABED-AGUXYKHFSA-N 429.432 4.478 5 20 IIBD CCOc1cccc2cc([C@@H](C)NC(=O)c3nnn(-c4cccc([N+](=O)[O-])c4)c3C)oc12 105568830 AMSXJZRXEMQNRI-CYBMUJFWSA-N 435.440 4.120 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CC[C@H](Nc3ccccc3)C2)cc1[N+](=O)[O-])c1ccccn1 110885466 XTKXBAYCZUEKKH-PXNSSMCTSA-N 431.496 4.490 5 20 IIBD O=C(COC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)Nc1ccc(F)c(F)c1 115034906 BHECBSOXPRLAOU-UHFFFAOYSA-N 441.390 4.281 5 20 IIBD CN(Cc1csc(Br)c1)C(=O)c1cccc([N+](=O)[O-])c1Br 159090577 VUXIZHNFVKIYDP-UHFFFAOYSA-N 434.109 4.454 5 20 IIBD CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 195612658 WPKARWZBRBRKIF-FUHWJXTLSA-N 435.267 4.042 5 20 IIBD CCOc1cc(C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)c([N+](=O)[O-])cc1OC 195699886 ABWYMNBYZGRKNG-UHFFFAOYSA-N 425.319 4.414 5 20 IIBD O=C(c1cccc2ccccc12)N1CCC[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 247449801 ZLQHLRRKDAUGIA-IBGZPJMESA-N 429.476 4.190 5 20 IIBD O=[N+]([O-])c1cc2c(O)ncnc2cc1N1CCN(Cc2ccccc2)C2(CCCCC2)C1 301594952 ZYDKLOREFFNDOX-UHFFFAOYSA-N 433.512 4.269 5 20 IIBD O=C(C1CCC(Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1)N1CCSCC1 301852772 GQROXPLHGJQDQF-UHFFFAOYSA-N 426.542 4.203 5 20 IIBD COc1cc(OC)cc([C@H](Nc2cc(C)nc3c([N+](=O)[O-])cccc23)c2nccn2C)c1 301988974 FAEMTUOZWHKBDV-NRFANRHFSA-N 433.468 4.404 5 20 IIBD COC(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 302968340 QLSIDGTXOZBSGF-HZPDHXFCSA-N 437.496 4.067 5 20 IIBD CC(=O)NCCN(Cc1ccc(Br)s1)c1nc2ccccc2cc1[N+](=O)[O-] 409520463 QJOUULFCASEOTE-UHFFFAOYSA-N 449.330 4.110 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2cc(-c3cccs3)[nH]n2)cc1[N+](=O)[O-])c1ccccn1 410074008 IOBRCXYETOGICH-CYBMUJFWSA-N 434.481 4.867 5 20 IIBD COC[C@@H](C)n1ccc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1 426408118 BPDBHLXGPIMAFP-CYBMUJFWSA-N 430.848 4.697 5 20 IIBD CNC(=O)c1cc(Oc2cccc(NCc3coc(-c4ccc([N+](=O)[O-])cc4)n3)c2)ccn1 427430365 YPKDATCBWYZEPX-UHFFFAOYSA-N 445.435 4.409 5 20 IIBD C[C@@H]1CC(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)Cc1ccccc1[N+](=O)[O-] 430440174 RVNVZYZIJGJFIX-GOSISDBHSA-N 429.476 4.496 5 20 IIBD O=C(Nc1c(-c2ccncc2)nc2ccccn12)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 430653281 YPVLXXGCMMWZSI-UHFFFAOYSA-N 428.452 4.157 5 20 IIBD Cc1cc(C)n(-c2ccc(-c3noc(-c4ccc(Br)cc4[N+](=O)[O-])n3)cn2)n1 430993557 YOMQQRZJBZVZJA-UHFFFAOYSA-N 441.245 4.272 5 20 IIBD O=c1c(Cl)c(NC[C@@H]2CCCN(c3ccccc3)C2)cnn1-c1ccc([N+](=O)[O-])cc1 432924084 JRNUYGPRMAQHSD-INIZCTEOSA-N 439.903 4.123 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2C[C@@H](c3ccccc3)C(C)(C)C2)ccc1[N+](=O)[O-] 434245970 OQSJJPWKAWBSSP-RBBKRZOGSA-N 435.524 4.160 5 20 IIBD CCOCCOCc1cccc(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1 436097853 AVACQUCFKBSEFL-UHFFFAOYSA-N 430.504 4.164 5 20 IIBD CN(C[C@H]1OCCc2ccccc21)C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436367803 LLLYDRBCIZPKNU-OAQYLSRUSA-N 434.442 4.346 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N(CCc1ccc(Cl)cc1)CC1CC1 440615703 ICCARNSXPGVPIC-UHFFFAOYSA-N 436.295 4.321 5 20 IIBD COc1ccc(NC(=O)C(=O)N2CCCCC[C@@H]2/C=C/c2cccs2)cc1[N+](=O)[O-] 442468645 CHVISMRPQILDSB-ZNFPLGDCSA-N 429.498 4.088 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)C1(c2ccc(I)cc2)CC1 443420751 WEJPISCXSZUBFI-UHFFFAOYSA-N 426.185 4.009 5 20 IIBD C[C@H](NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1ccc(-n2ccnn2)cc1 444240813 NNJGNLJWUIPCAC-ZDUSSCGKSA-N 445.429 4.031 5 20 IIBD C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 444408122 GGAUGQRGNJCFLH-VLIAUNLRSA-N 426.860 4.036 5 20 IIBD C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1nc(-c2ccncc2)cs1 446051821 HGPZBJOTOJHWOC-LLVKDONJSA-N 447.314 4.296 5 20 IIBD C[C@@H](c1cc(F)ccc1F)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 447035157 BUWPJNKVPJUOBM-VIFPVBQESA-N 435.246 4.017 5 20 IIBD COC[C@H]1CCCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2ccccc2)C1 460436369 KXCYOVXGMSNYCR-FQEVSTJZSA-N 435.528 4.349 5 20 IIBD CC(C)(C)Cc1nc(-c2ccc(C(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)cc2)no1 461406972 LPQASLHIXOKVOZ-UHFFFAOYSA-N 436.468 4.268 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 462630398 WHQOCFLZXPRBJC-ICSRJNTNSA-N 449.507 4.331 5 20 IIBD COc1ccc(CN(C)C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC(F)F 463108334 STEDNFPXYGVGFV-UHFFFAOYSA-N 434.317 4.496 5 20 IIBD Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)ccc1OCC(F)(F)F 463522966 XNTZQIZPHNBXLI-UHFFFAOYSA-N 441.387 4.193 5 20 IIBD C[C@H](c1nccs1)N1CCN(c2c([N+](=O)[O-])cnc3ccc(Br)cc23)CC1 463738528 XFWQAYDRHPNAPS-GFCCVEGCSA-N 448.346 4.245 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCCOc1ccc(Cl)cc1Cl 464050150 WPBRURNSVMBWDO-UHFFFAOYSA-N 440.283 4.042 5 20 IIBD Cc1ccc([C@@H](NC(=O)c2cc(C)cc([N+](=O)[O-])c2)c2cccc(S(C)(=O)=O)c2)cc1 464365647 YNJJFCZAZCPBOW-JOCHJYFZSA-N 438.505 4.135 5 20 IIBD Cc1ccc([C@H]2OCCC[C@@H]2NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 467795773 CPFZMZIPYRODSK-DOTOQJQBSA-N 445.324 4.409 5 20 IIBD CC1(C)CN(C(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C[C@H]1O 468578943 RMKKLUJOWNYSBF-MBNYPGIVSA-N 437.521 4.365 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(-c3cc4ccccc4o3)s2)c1C 468873013 HSFLXHSGFUKAAV-UHFFFAOYSA-N 430.467 4.277 5 20 IIBD CCOc1cc(C(=O)Nc2nnc(-c3cc(F)ccc3C)s2)c([N+](=O)[O-])cc1OC 469896184 GGPGKIWOOAGFAI-UHFFFAOYSA-N 432.433 4.220 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)cc([N+](=O)[O-])c1 471577925 MUWLKLSLSDNHED-UHFFFAOYSA-N 439.399 4.137 5 20 IIBD CSc1cccc(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1I 472242832 TVBOYWGQFRJDOG-UHFFFAOYSA-N 428.251 4.482 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NCC1(Cc2ccccc2)CCCCC1 472616418 LQMZJGBXLQYXOM-UHFFFAOYSA-N 443.931 4.287 5 20 IIBD CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C(C)(C)O1 472733688 DTBHDFYYZQPMDD-LJQANCHMSA-N 443.475 4.047 5 20 IIBD Cc1c(COc2ccccc2)cccc1NC(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 473244847 RLMWMQRGDCGFSG-QGZVFWFLSA-N 433.464 4.298 5 20 IIBD COc1cc(C(=O)N(C)CCN(C)C2CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 474586532 VMKRLOVXJNCLFB-UHFFFAOYSA-N 433.892 4.215 5 20 IIBD CCOc1cc(N2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc([C@@H]4C[C@H]4C)o3)CC2)ccc1[N+](=O)[O-] 477367129 SZLJAEGWCOYBSR-OQIJWPOYSA-N 439.512 4.162 5 20 IIBD CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 478495124 BSOPZHZSFBZXTR-UHFFFAOYSA-N 441.484 4.189 5 20 IIBD O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 478764467 RNRYVPVFFHHOHG-UHFFFAOYSA-N 444.835 4.344 5 20 IIBD COc1cc(CNc2ccc(N3CCNC3=O)cc2)c([N+](=O)[O-])cc1OCc1ccccc1 479562002 WODOPKHDGCELIS-UHFFFAOYSA-N 448.479 4.324 5 20 IIBD CC(C)[C@@H](CO)NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 479625269 ZWLAKDRPMVKRCN-JVCXIRSZSA-N 425.510 4.268 5 20 IIBD O=C(NCc1nc2cc(Br)cnc2[nH]1)c1cc2ccccc2c2cccnc12 479800684 FMMQHGWJTKPSDU-UHFFFAOYSA-N 432.281 4.352 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 481359396 LRURUQNRPUEEQN-UHFFFAOYSA-N 448.277 4.190 5 20 IIBD CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1cc2ccccc2c2cccnc12 481829620 IEYJNIYYTBGBCA-UHFFFAOYSA-N 440.503 4.447 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)c1 481890498 IOLLYDDSHGTEOU-RXVVDRJESA-N 425.554 4.443 5 20 IIBD COCCN(Cc1sccc1Br)C(=O)Nc1cccc([N+](=O)[O-])c1C 483612633 CFULKNLGILZCMI-UHFFFAOYSA-N 428.308 4.408 5 20 IIBD CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 484029167 ZSWIMMSJKHBGEP-PMACEKPBSA-N 428.533 4.122 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2nc3c(s2)CCCC3(C)C)cc1[N+](=O)[O-] 484899863 SGFQFWYQSXDDFG-UHFFFAOYSA-N 444.542 4.197 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N1CC[C@@H](OCCCc2ccccc2)C1 486185826 AHPDORSPCDPXSY-CQSZACIVSA-N 439.331 4.283 5 20 IIBD COC(=O)[C@H](C)Sc1ccccc1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 486753175 VRHPEAMVSFRQDV-NSHDSACASA-N 442.415 4.197 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@H]2CCCO[C@@H]2c2ccc(C)cc2)c(C)c([N+](=O)[O-])c1 486874385 PMYLMGHVLCXBCQ-FXAWDEMLSA-N 427.457 4.040 5 20 IIBD COC(=O)c1cc(NC(=O)N(Cc2cccc(F)c2)C[C@@H]2CCCO2)c(C)c([N+](=O)[O-])c1 486889348 ZXXZSTQBBFFFQA-SFHVURJKSA-N 445.447 4.042 5 20 IIBD Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1C 488240579 UUTVWMUZVDUXHY-DNVCBOLYSA-N 445.566 4.232 5 20 IIBD Cc1nc(C)n(-c2ccccc2NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 488926156 PBYKKXHOQXVKRR-UHFFFAOYSA-N 434.378 4.133 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CN(C(C)=O)C2CC2)cc1 489388709 JGQWCWDPZRDNAN-UHFFFAOYSA-N 443.525 4.097 5 20 IIBD COc1ccc(Cn2ccc(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)n2)cc1 490406250 GCYVDZCRRYVJGA-UHFFFAOYSA-N 435.465 4.224 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CC[C@H](OCc2ccccn2)C1 490588347 SZJJSHMQWZFFCP-NRFANRHFSA-N 432.480 4.033 5 20 IIBD COc1cc(CCNC(=O)N2C[C@@H](c3ccc(C)cc3)C[C@@H]2C)c([N+](=O)[O-])cc1OC 494232474 AOYKAOAYOUDRRR-LPHOPBHVSA-N 427.501 4.051 5 20 IIBD Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 497798048 FOENICUHZUOEBU-UHFFFAOYSA-N 438.337 4.280 5 20 IIBD CCOC(=O)CCN(C)C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 498742689 BSEILQXKEBLVMJ-UHFFFAOYSA-N 445.522 4.381 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCCCc1c[nH]c2ccc(F)cc12 501981523 SCVXHNVSNNHPML-UHFFFAOYSA-N 434.265 4.269 5 20 IIBD CCOc1ccc([C@H](C)N[C@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)cc1[N+](=O)[O-] 504927117 MSYMUNNTLQDFNC-SJORKVTESA-N 449.573 4.436 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCCCN(C)c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 505991067 KDLDDMYDVXFMSA-GOSISDBHSA-N 433.512 4.419 5 20 IIBD O=C(CC[S@](=O)Cc1csc(-c2ccc(F)cc2)n1)Nc1ccccc1[N+](=O)[O-] 507698405 PDHZFRUPFQZVPG-LJAQVGFWSA-N 433.486 4.135 5 20 IIBD Cc1ccc([C@H]2OCCC[C@@H]2Nc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)cc1 509553711 OEBGPAZPQZNVFC-GHTZIAJQSA-N 440.887 4.435 5 20 IIBD O=C(Nc1ccc(Cl)c(CN2CCOCC2)c1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 511544591 BYYBGNRLVGSLND-UHFFFAOYSA-N 443.809 4.352 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 512934534 UDQHRIOMSUKWKC-UHFFFAOYSA-N 445.519 4.301 5 20 IIBD Cc1[nH]nc2ncc(NC(=O)C3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)cc12 516781227 GMZPGQBOYWPQKM-UHFFFAOYSA-N 448.405 4.048 5 20 IIBD C[C@H](NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccc(OCc2cccnc2)cc1 517208754 QMUDCNNVJLRLFG-KRWDZBQOSA-N 448.479 4.234 5 20 IIBD COc1cc(C(=O)Nc2ccc(OCc3cn4ccccc4n3)cc2)c([N+](=O)[O-])cc1OC 517304057 YRJUULXGLIPCLR-UHFFFAOYSA-N 448.435 4.091 5 20 IIBD CC[C@H](c1ccccc1)c1nnc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])s1 518042300 HFOIXECYWKSARS-CYBMUJFWSA-N 428.470 4.258 5 20 IIBD COC(=O)COc1cccc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 520502092 XMDLHCUFLJLWDU-UHFFFAOYSA-N 435.436 4.011 5 20 IIBD O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cc(-c2ccco2)nn1-c1ccc(F)cc1F 523116181 KENAJZMCBFVAMZ-UHFFFAOYSA-N 446.391 4.120 5 20 IIBD COc1cc(F)c(NC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cc1F 532083330 LMPDHDFVGMAPEX-OAHLLOKOSA-N 437.399 4.086 5 20 IIBD CCC(=O)Nc1ccc(C)c(NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)OC)c1 536498400 UTFHXIXNAUIICJ-UHFFFAOYSA-N 445.497 4.159 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(-c2nc3ccccc3n2C)c1 537721148 VNDVHQRKDDBRJQ-QGZVFWFLSA-N 447.499 4.020 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1)c1cccc([N+](=O)[O-])c1 538976423 UALLTVHJPABYOU-HNNXBMFYSA-N 431.448 4.013 5 20 IIBD C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](C(=O)Nc1ccccc1)c1ccccc1 539075102 UVUMGCFQLJLMEO-UZUQRXQVSA-N 432.480 4.282 5 20 IIBD Cc1cc(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])nn1C1CCCCC1 539556803 GHQAQQLFYJGTCK-IBGZPJMESA-N 442.516 4.418 5 20 IIBD C[C@@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccc([S@](C)=O)cc1 539642358 RTYQRYFKLOUJMX-MKTHODDLSA-N 437.521 4.435 5 20 IIBD O=C(C[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1cccs1 539757984 MAAVMBZKGMRQAV-NSHDSACASA-N 448.444 4.101 5 20 IIBD O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 543184443 WSGYVGJVNAGVDO-CZUORRHYSA-N 438.324 4.247 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 544483416 MNMKRWUREHJNAD-ZDUSSCGKSA-N 428.489 4.479 5 20 IIBD COc1ccc(CSCc2nc(-c3ccnc(OC4CCC4)c3)no2)cc1[N+](=O)[O-] 545047583 WIKQCIHIHSNTIR-UHFFFAOYSA-N 428.470 4.413 5 20 IIBD CC(C)(C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc([N+](=O)[O-])cc1F 547246746 MXHBKYVKCCCWHN-UHFFFAOYSA-N 444.488 4.097 5 20 IIBD O=C(c1ncoc1C1CC1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 549810677 OFWNPUXCCQLJIG-UHFFFAOYSA-N 438.509 4.147 5 20 IIBD O=C(Nc1cccc(F)c1)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 550392464 LZIDWXJTEXZWMI-UHFFFAOYSA-N 439.365 4.244 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ncc(Br)cn1 557150329 VZYBSYOGJBAVLX-NSHDSACASA-N 439.335 4.386 5 20 IIBD C[C@@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCC1(F)F 558584115 VKIYUCBGLUNQNR-GFCCVEGCSA-N 435.393 4.334 5 20 IIBD C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(Oc2cccc(Br)c2)CC1 561403618 SPSSIXCMGGMAQB-AWEZNQCLSA-N 448.317 4.228 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1C[C@@H]2CN(c3ccccc3)C[C@@H]2C1 565628618 ZKHULXSYEAKKCH-IYBDPMFKSA-N 445.469 4.168 5 20 IIBD CC(C)c1ccc(C(=O)Nc2cc(F)c(OC(F)F)cc2-n2cncn2)cc1[N+](=O)[O-] 567018967 UCJOLHDNINBHCF-UHFFFAOYSA-N 435.362 4.292 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCN(c2nc3ccccc3s2)CC1 567919965 CULHYAIBYDGGLS-UHFFFAOYSA-N 436.415 4.186 5 20 IIBD COc1cc(C)c([C@@H](C)NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1OC 569497658 MFBPRBASSPLJEY-CQSZACIVSA-N 443.500 4.034 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C1C[C@@H]2CC[C@H](C1)N2CCOC 572674055 YOKIBZHGJLMQKS-JJTKIYQPSA-N 435.590 4.201 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCN(Cc2ccc(Cl)s2)CC1 574739585 RFQBPCRNXOLODM-UHFFFAOYSA-N 433.839 4.287 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1c1nc(Cc2ccccc2[N+](=O)[O-])no1 576311594 QBSJZDDAJRZIGW-QGZVFWFLSA-N 442.859 4.208 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 578670857 HPYOPOGQQGECRX-AWEZNQCLSA-N 437.296 4.485 5 20 IIBD CCOc1cc(CSc2nnc(N3CCCCC3)n2C[C@H]2CCCO2)ccc1[N+](=O)[O-] 579176946 LQLCXCJKEOYCIE-QGZVFWFLSA-N 447.561 4.047 5 20 IIBD CCO[C@H](c1ccccc1)c1noc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 589150719 GBNGLQSFCLELKB-WOJBJXKFSA-N 436.468 4.389 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nnc(COc2ccc(Cl)cc2)o1 592946241 YEZZDVCLTPXBRV-UHFFFAOYSA-N 434.861 4.249 5 20 IIBD Cc1ccc(C)c(OCc2nnc(S[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])o2)c1 594640879 OXOZNDSICVWQGK-AWEZNQCLSA-N 428.470 4.293 5 20 IIBD COc1ccc(Cl)cc1NC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 603643660 BGQLORHVYXDWMO-HNNXBMFYSA-N 435.864 4.461 5 20 IIBD Cc1ccc(C)c(Oc2ccc(CNc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])cn2)c1 603859734 OLJJQHHHIKDELE-UHFFFAOYSA-N 427.482 4.415 5 20 IIBD CCN(Cc1ccccc1)C(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 604448401 JXSCZGQLVYJNJM-UHFFFAOYSA-N 439.493 4.058 5 20 IIBD COc1cc(CCNC(=O)c2cnc(-c3ccccc3Cl)s2)c([N+](=O)[O-])cc1OC 604518592 NBSSYBXAZVNRNW-UHFFFAOYSA-N 447.900 4.361 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@@H](C)C[C@@H]2CCOC2)c([N+](=O)[O-])c1 610734940 VWJZRWKQQDRYFT-IRXDYDNUSA-N 433.530 4.037 5 20 IIBD CS(=O)(=O)Cc1c(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)oc2ccccc12 611768894 MCPODVVJIWFJJN-UHFFFAOYSA-N 442.371 4.157 5 20 IIBD CC(C)(C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccc([N+](=O)[O-])cc1F 612992017 BVFOSDCFVICBQS-UHFFFAOYSA-N 449.482 4.149 5 20 IIBD C[C@@H](C(=O)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2)c1cccc([N+](=O)[O-])c1 617754718 OYQVRUFTQOOMOO-UAOJZALGSA-N 430.451 4.104 5 20 IIBD COc1ccccc1N(C)C(=O)c1ccc(C(=O)N(C)c2ccccc2OC)c([N+](=O)[O-])c1 618808600 DEJPFUCNUQKTFC-UHFFFAOYSA-N 449.463 4.165 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 619492520 SXCFNKABVDNKPF-UHFFFAOYSA-N 442.946 4.202 5 20 IIBD C[C@@H](C(=O)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1c(Cl)cccc1Cl 726313947 LPEPKIQZSVJBAF-MRVPVSSYSA-N 437.688 4.164 5 20 IIBD COc1cc(C(=O)Oc2cccc(OCC(F)(F)F)c2)c([N+](=O)[O-])cc1OC(F)F 727052476 SJAQQKFFNDCTMS-UHFFFAOYSA-N 437.273 4.365 5 20 IIBD Cc1cc(C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)c(N)c([N+](=O)[O-])c1 730286538 DYHLOTGPAKSSOV-INIZCTEOSA-N 428.247 4.145 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1(c2ccccc2Cl)CCOCC1 730649975 SQEVOCLLDKYUSR-UHFFFAOYSA-N 443.843 4.090 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1CS(=O)(=O)c1ccccc1 731169115 UJDKEKXGEHLIGC-UHFFFAOYSA-N 430.869 4.474 5 20 IIBD O=C(O[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1ccc(Cl)cc1[N+](=O)[O-] 733818954 XCOSEADPQFZVSA-OAHLLOKOSA-N 444.749 4.109 5 20 IIBD C[C@@H](OC(=O)CNc1cccc(C(F)(F)F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 735933118 JDVFHZNOYKVYIX-SNVBAGLBSA-N 445.781 4.249 5 20 IIBD COc1c([N+](=O)[O-])cc(N[C@@H](CCCO)c2ccccc2)c([N+](=O)[O-])c1Br 740872282 LIRYVTDZSSKVDH-LBPRGKRZSA-N 440.250 4.200 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@](C)(O)c2ccsc2)cc1 740938021 LASFKXJYNLTONI-NRFANRHFSA-N 428.466 4.095 5 20 IIBD C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 741924531 FBLUOOXVTBEWBX-ZUOKHONESA-N 425.913 4.452 5 20 IIBD C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1 742626178 ULTIFEALUZFJKR-QFBILLFUSA-N 446.548 4.033 5 20 IIBD CC[C@]1(C)CCCN(C(=O)c2ccc(OS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)C1 742862092 ZEQWADIAEFCROM-JOCHJYFZSA-N 446.525 4.323 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 743071264 MPFAFUPSOGUAAW-IUODEOHRSA-N 426.901 4.453 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C(=O)N1CCC[C@@H]1c1cccs1 744562671 PRZVGXCSPOQUJL-HNAYVOBHSA-N 443.525 4.166 5 20 IIBD Cc1ccc(N2CCC[C@@H](OC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)C2=O)cc1 744894992 NPAXNSUAMRVWRR-LJQANCHMSA-N 437.477 4.379 5 20 IIBD O=C(COC(=O)Cc1cccc([N+](=O)[O-])c1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 745332466 KEOUVZMAGQXQFR-HSZRJFAPSA-N 438.867 4.240 5 20 IIBD CCc1cc2c(COC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc(=O)oc2cc1O 745567578 MUCNVUOABHRNID-UHFFFAOYSA-N 437.326 4.345 5 20 IIBD Cc1cc(I)ccc1NC(=O)COc1cc([N+](=O)[O-])ccc1Cl 747811265 AYKOXYYKIPRJMR-UHFFFAOYSA-N 446.628 4.179 5 20 IIBD COc1ccc(-c2ccc(/C=C3/NC(=S)N(C4CCCCC4)C3=O)o2)c([N+](=O)[O-])c1 747973455 BQETYMWTEWRVLO-GZTJUZNOSA-N 427.482 4.254 5 20 IIBD O=[N+]([O-])c1ccc(NC(=S)Nc2cc(F)c(I)c(F)c2)cc1 749108553 CBQUQESWORKYDC-UHFFFAOYSA-N 435.193 4.287 5 20 IIBD O=c1c2sccc2nc(SC[C@@H](O)c2cccc([N+](=O)[O-])c2)n1Cc1ccccc1 749639223 OBXBZVOJFDIFAK-GOSISDBHSA-N 439.518 4.240 5 20 IIBD CC(C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccc2c(c1)OCCO2 750602157 QKJFDHDFXMXPDC-SFHVURJKSA-N 435.274 4.256 5 20 IIBD O=C(NCCc1ccn(-c2ccccc2)n1)c1cc(Br)cc([N+](=O)[O-])c1Cl 750854500 MPLKKPGVXVUXSC-UHFFFAOYSA-N 449.692 4.169 5 20 IIBD O=C(COC(=O)c1ccc(Br)cc1[N+](=O)[O-])Nc1c(Cl)cccc1Cl 750965533 QYLDIYDKJQRONO-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] 753038136 NPOVJTDSMVGDKU-IAGOWNOFSA-N 434.537 4.253 5 20 IIBD C[C@@H]1C[C@@H](CCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CN1Cc1ccccc1 753715090 AHCKPJWSRKYKKC-TZIWHRDSSA-N 436.556 4.226 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@H]1CCOc2c1ccc(Cl)c2Cl 754485274 DZHZUUYBPKYHQH-AWEZNQCLSA-N 448.262 4.469 5 20 IIBD Cc1cc(F)cc(C(=O)Nc2ccc(CCn3nnc(-c4ccccc4)n3)cc2)c1[N+](=O)[O-] 758464098 ATAKBRSPXADMSV-UHFFFAOYSA-N 446.442 4.191 5 20 IIBD CC(C)(C)OC(=O)N[C@H](C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)(C)C 760538364 RNZRBGVXDOBXMO-MRXNPFEDSA-N 433.461 4.232 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])c2nsnc2c1)C(=O)Nc1cccc(Cl)c1Cl 762976375 VCXIRWJTFUQEMY-SSDOTTSWSA-N 441.252 4.090 5 20 IIBD CN(C)[C@@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 769399235 NBXPSXKIUBDGAS-INIZCTEOSA-N 431.361 4.125 5 20 IIBD O=C(O[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1cc([N+](=O)[O-])ccc1Cl 770314865 ZRYHEULKIGGIMA-OAHLLOKOSA-N 428.750 4.229 5 20 IIBD CCCCC[C@@H](c1nc(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)no1)C(C)C 771053762 GSQSCIXQPGNNCH-CQSZACIVSA-N 432.477 4.250 5 20 IIBD Cc1c(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)csc1Br 772455781 AYDRQMZDIPQMIA-QMMMGPOBSA-N 431.239 4.050 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1C 773606180 QSJXLSPZLMBKID-SNVBAGLBSA-N 427.276 4.220 5 20 IIBD COc1cccc(C(=O)OC[C@H]2CCC(=O)N(C)[C@H]2c2cccc(Cl)c2)c1[N+](=O)[O-] 774114497 ATLMPOLXZOMTHC-KUHUBIRLSA-N 432.860 4.023 5 20 IIBD Cc1nc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)sc1Cc1c(F)cccc1F 775166818 ALUVOAYBCWINHL-UHFFFAOYSA-N 431.467 4.091 5 20 IIBD Cc1ccc(-n2c(SC[C@@H](O)c3ccc([N+](=O)[O-])cc3)nnc2N2CCCCC2)cc1 776277181 PPTWOAUSUGSQKR-HXUWFJFHSA-N 439.541 4.300 5 20 IIBD Cc1ncsc1/C=C\C(=O)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 777235618 AXLWWRTZMHGBDV-JJEJIETFSA-N 429.498 4.001 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(Nc3cccc(C[S@](=O)C4CCOCC4)c3)CC2)cc1 777694411 CGGGRUGXXYVMSW-HKBQPEDESA-N 443.569 4.103 5 20 IIBD CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 777889481 WWFGZKVVVMKPFS-UHFFFAOYSA-N 445.344 4.193 5 20 IIBD O=C1c2ccccc2C(=O)N1c1cccc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c1 777983029 WUJBHDTYOJFRHR-UHFFFAOYSA-N 437.358 4.126 5 20 IIBD C[C@@H](OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)Nc1cccc2ncccc12 781268582 OEIPUDXFBXISRA-OAHLLOKOSA-N 437.455 4.414 5 20 IIBD COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 784091050 ZNHPXPPMQCSATC-UHFFFAOYSA-N 446.403 4.273 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Oc2ccc(F)c(C(F)(F)F)c2)cc1[N+](=O)[O-] 785969752 ADSBZPDZMFYURR-UHFFFAOYSA-N 442.350 4.252 5 20 IIBD C[C@@H](OC(=O)c1ccc(Cl)c(N)c1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 786633392 AWAPJJVWWDJAML-SSDOTTSWSA-N 432.647 4.321 5 20 IIBD CCCN1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c(OCC)c2)CC1 788615479 SRZTVRLTOVCOSU-UHFFFAOYSA-N 446.935 4.431 5 20 IIBD Cc1cnc(COC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)c(C)c1[N+](=O)[O-] 789447911 UUVBCIOGFBVHQT-CYBMUJFWSA-N 438.267 4.010 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(-c3nccs3)c2)c(C)c1[N+](=O)[O-] 790393497 HJJWCJBPZJQOLE-UHFFFAOYSA-N 434.455 4.044 5 20 IIBD CN(Cc1cccc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c1)C(=O)C(F)(F)F 790529904 IMAAMFPEGYLNBM-UHFFFAOYSA-N 447.772 4.089 5 20 IIBD Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 791857940 XXXTZJTXIVXOSX-UHFFFAOYSA-N 440.364 4.153 5 20 IIBD COCc1ccc(OC)c(S(=O)(=O)Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])c1 795806552 XFIUDANMGHWCLN-UHFFFAOYSA-N 429.450 4.185 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Oc2ccc(CNC(=O)OC(C)(C)C)cc2)c1[N+](=O)[O-] 796033539 QGVFBTRSYKYNTB-UHFFFAOYSA-N 436.486 4.004 5 20 IIBD C[C@H](N[C@@H](C)c1ccc(Br)cn1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 796499762 XUWSAUYDPOWOCB-UWVGGRQHSA-N 427.686 4.084 5 20 IIBD CC(=O)c1ccc([N+](=O)[O-])cc1NCc1ccc(Br)cc1N1CCOCC1 807998493 HQBGRCVIYNZXNS-UHFFFAOYSA-N 434.290 4.009 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NCCc2nc3ccccc3s2)c1Cl 809388064 IUCMSVMDECCXPH-UHFFFAOYSA-N 432.310 4.032 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H](c2ccccc2)c2nccs2)c(Cl)cc1Cl 809814982 JUWHLEBDBLAKEQ-HNNXBMFYSA-N 444.321 4.426 5 20 IIBD CCOc1ccc([C@@H](O)C2CCN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)CC2)cc1 812891397 MXHICUINUHCLNR-OAQYLSRUSA-N 447.919 4.302 5 20 IIBD CNC(=O)c1cc(Oc2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2F)ccn1 813287390 PYMKCOZAGRWIII-UHFFFAOYSA-N 444.806 4.187 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C(=O)NCc1ccc(Cl)cc1 815510663 GZJKJHYYGISQDL-JTQLQIEISA-N 430.766 4.129 5 20 IIBD O=[N+]([O-])c1ccc(-n2ccc(-c3nc(-c4cc(Br)cs4)no3)n2)c(F)c1 904395724 PVTMLVPJROEFSR-UHFFFAOYSA-N 436.222 4.461 5 20 IIBD CCN(CC)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 916553507 SCQRWCRHYDUZJT-SFHVURJKSA-N 425.510 4.019 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2COc2ccc(Cl)cc2)c(Cl)c1 917880183 ZBMLUOCKZFFFLK-CQSZACIVSA-N 431.297 4.134 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)O[C@@H](C(=O)NCc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 919226955 MMELGRNNWNSRKG-OAQYLSRUSA-N 449.419 4.026 5 20 IIBD CN(c1ccc(OC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1)S(=O)(=O)c1ccccc1 929967079 QXATYMNFXQGKOT-SXGWCWSVSA-N 438.461 4.039 5 20 IIBD O=C(c1cccs1)C1CCN(c2ccc(I)cc2[N+](=O)[O-])CC1 1319044372 DJETVSAQESDIKK-UHFFFAOYSA-N 442.278 4.360 5 20 IIBD CC(C)(C)OC(=O)Nc1cc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])ccc1F 1320446120 AGJFJNUFHZHBNE-UHFFFAOYSA-N 425.438 4.023 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)Cc1cc2ccccc2[nH]1 1321236782 HJTYETSTYDRGLX-UHFFFAOYSA-N 449.248 4.261 5 20 IIBD O=C(/C=C/C1CC1)Nc1ccc(C2(NC(=O)Cc3cc([N+](=O)[O-])ccc3F)CCC2)cc1 1786156511 YQUBVGNFBWVEDC-NYYWCZLTSA-N 437.471 4.377 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@@H]3C[C@@]3(F)Cl)cc2)CCC1)c1cccc(F)c1[N+](=O)[O-] 1791676301 DIAQGMHIGWOWDY-BTYIYWSLSA-N 449.841 4.406 5 20 IIBD O=C(/C=C/C1CCCC1)N1CC2(CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 1845739385 QTYMVMRZNZVEAC-RMKNXTFCSA-N 439.537 4.373 5 20 IIBD C[C@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(Cl)cc1 1847409402 XHVHIEQEKIGHPC-AGRHKRQWSA-N 445.878 4.006 5 20 IIBD C[C@H](OC(=O)c1ccc(OC(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9349650 KIRHKVDJZOCNBE-VIFPVBQESA-N 448.300 4.399 5 20 IIBD COc1ccc(C(=O)OCc2csc(N(C(C)=O)c3ccccc3)n2)cc1[N+](=O)[O-] 11341792 WLUICXHGEYRCOX-UHFFFAOYSA-N 427.438 4.102 5 20 IIBD O=C(CSc1nnc(NCc2ccccc2)s1)Nc1cc([N+](=O)[O-])ccc1Cl 11410083 DXOCVTDCPJPAFG-UHFFFAOYSA-N 435.918 4.443 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c1 16233901 NICMHDQHGNCLRH-UHFFFAOYSA-N 430.511 4.015 5 20 IIBD Cc1cc(CSc2ccccc2C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)on1 16542372 YOILFSKRFJEDNR-CQSZACIVSA-N 441.465 4.368 5 20 IIBD CCN(C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)C12CC3CC(CC(C3)C1)C2 19310109 WDUITNWHQCIOJE-UHFFFAOYSA-N 427.501 4.100 5 20 IIBD CCCn1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc2ccccc2c1=O 20788959 JIBBEQBNWWHVMR-LBPRGKRZSA-N 446.916 4.487 5 20 IIBD Cc1cccc(-c2nnc(S[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)c1 22212414 CHZYKGYNGKYXGS-LBPRGKRZSA-N 431.905 4.471 5 20 IIBD Cc1cc(-n2c(C)cc(C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c2C)no1 26572940 BPULVFNCZCKDMI-ZDUSSCGKSA-N 446.847 4.136 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N(Cc1cccc(Br)c1)C1CC1 26836831 OXCYEUVBJAXNMQ-UHFFFAOYSA-N 445.722 4.364 5 20 IIBD Cc1ccc(C)c(OC[C@H](O)COc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 27214672 RYQATMCKJIGFEX-OAQYLSRUSA-N 436.464 4.283 5 20 IIBD COc1cc(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc(OC)c1OC 27389397 NHSDQYXSQAHHEP-GASCZTMLSA-N 443.500 4.355 5 20 IIBD C[C@@H]1CCCN(c2ccc(C(=O)Nc3cccc(C(=O)N4CCCC4)c3)cc2[N+](=O)[O-])C1 29263670 QAWZPISXMAHCHG-QGZVFWFLSA-N 436.512 4.319 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)cn2)cc1 57725248 UZVASAVQJGOEGR-UHFFFAOYSA-N 433.468 4.445 5 20 IIBD CCOc1cc(NC(=O)COc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OCC 61125335 WDHAGRRNRXGHKD-UHFFFAOYSA-N 428.363 4.429 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 64778457 XXYPVZYJPJUZQO-UHFFFAOYSA-N 438.793 4.425 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 68846275 SRJPZLZQALUZKH-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)cc2)cc1 108458276 BKEGJFHTSQAPKB-INIZCTEOSA-N 439.493 4.195 5 20 IIBD CNC(=O)c1ccc(NCc2cn(-c3ccccc3)nc2-c2ccccc2)c([N+](=O)[O-])c1 301092175 OJUOJFNETIMYOW-UHFFFAOYSA-N 427.464 4.419 5 20 IIBD COCc1cc([N+](=O)[O-])ccc1N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 301357384 PBLRENNTVAOFJR-UHFFFAOYSA-N 430.814 4.135 5 20 IIBD Cc1cc(I)ccc1NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 303474836 NROHTPCSCPIBJI-UHFFFAOYSA-N 449.204 4.014 5 20 IIBD C[C@H](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)S(=O)(=O)c1ccc(F)cc1 409719529 JZSMWTPWDIBMIL-GFCCVEGCSA-N 449.485 4.048 5 20 IIBD Cc1c(C(=O)Nc2ccccc2NC(=O)C[C@H]2C=CCC2)nnn1-c1cccc([N+](=O)[O-])c1 409984590 DLYXPVIYYDDHPD-INIZCTEOSA-N 446.467 4.031 5 20 IIBD CCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 427360197 RMGSMTLGBBVAPC-UHFFFAOYSA-N 440.481 4.071 5 20 IIBD CC(C)(NC(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 429175717 VCNRRTFGFWKVQW-REWPJTCUSA-N 429.492 4.042 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1ccnn1Cc1ccc(C(F)(F)F)cc1 429523921 XXKDSEHZGCYDCI-UHFFFAOYSA-N 433.390 4.223 5 20 IIBD O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 436174477 VKUMUECIGHJXOQ-HNNXBMFYSA-N 433.458 4.216 5 20 IIBD COCCN(C)CC[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccccc1 436320378 SZPFDHLQFUEHMQ-QHCPKHFHSA-N 443.547 4.121 5 20 IIBD O=C(Nc1ccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])c(O)c1)c1cc(F)cc(F)c1 436529256 NOWAFRNVSRQRRO-UHFFFAOYSA-N 439.374 4.034 5 20 IIBD CCOC(=O)c1csc(N(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C2CC2)n1 437350559 XIRNNQYZTQOCEU-UHFFFAOYSA-N 429.376 4.056 5 20 IIBD COc1ccc(NC(=O)C(=O)N(Cc2ccccc2Cl)C2CCCC2)cc1[N+](=O)[O-] 439629050 QDICJGNDVAWKJZ-UHFFFAOYSA-N 431.876 4.167 5 20 IIBD O=C(NC1(c2noc([C@@H]3CCOC3)n2)CCCCCC1)c1ccc([N+](=O)[O-])cc1Cl 439902813 NQJYJSCPCVWHAV-CYBMUJFWSA-N 434.880 4.115 5 20 IIBD COC(=O)c1cc(Br)cc(NC(=O)c2cc(OC)ccc2[N+](=O)[O-])c1Cl 440157379 QOZVBXCPTNSUAC-UHFFFAOYSA-N 443.637 4.058 5 20 IIBD COc1cc(CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc(Br)c1OC 443974237 UBPGQKPWSGRPCI-UHFFFAOYSA-N 438.278 4.313 5 20 IIBD C[C@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1nc(Cc2ccccc2)no1 444177039 SHGXKKISVHNFEE-AWEZNQCLSA-N 442.450 4.285 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NC[C@@H]2Cc3ccccc3N(C)C2)cc1[N+](=O)[O-])c1ccccn1 444336633 ADANXMCPIAGJAR-MSOLQXFVSA-N 445.523 4.201 5 20 IIBD C[C@@H](C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1cccc(C(=O)c2ccccc2)c1 444632942 QULZYBFCIMTFRJ-OAHLLOKOSA-N 428.448 4.122 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(Br)s2)c([N+](=O)[O-])c1 444761925 YJQPYSAIDKASLC-VHSXEESVSA-N 428.308 4.105 5 20 IIBD CN(C)CCCOc1cccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])c1 446048445 UGEDANLTWKOEHE-UHFFFAOYSA-N 428.308 4.002 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCn2c(cc3ccc(Cl)cc32)C1 447384064 LVDJSKLNAUAFFK-UHFFFAOYSA-N 428.876 4.056 5 20 IIBD Cc1ccc(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc1NC(=O)c1ccccc1F 461400237 IEKZGRLUALKODA-UHFFFAOYSA-N 449.438 4.329 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(N3C[C@H]4CC[C@H]3c3ccccc34)n2C[C@H]2CCOC2)cc1 461574108 HRQOJMCLGKQVIT-CDMIOBSGSA-N 431.496 4.329 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1C(=O)Nc1cc(C)ccc1OC 462617414 CHVJTOAXDBPJSA-WIYYLYMNSA-N 439.512 4.110 5 20 IIBD COc1ccc(-c2ccc(CN[C@@H]3CC(=O)N([C@@H]4C[C@@H]4c4ccccc4)C3)o2)c([N+](=O)[O-])c1 462757676 RGQUHUCAGHNDPJ-ZPMCFJSWSA-N 447.491 4.110 5 20 IIBD C[C@@H](Nc1cccc(CN2CCNC(=O)C2)c1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 462947915 SKBQWFULHNFVSU-MRXNPFEDSA-N 436.537 4.428 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 463950655 MGLWMSYDTVBRFO-UHFFFAOYSA-N 446.891 4.453 5 20 IIBD C[C@H](c1nccs1)N1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 464343270 ZAOTZPGRSHBHSI-MRXNPFEDSA-N 437.525 4.314 5 20 IIBD Cn1cncc1CNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 464704721 FQZDKDCKCRXDOU-YBEGLDIGSA-N 433.493 4.185 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCO[C@H]2c2ccc(C)cc2)cc1OC 464889217 DEYLXFBYSWDYEY-JTSKRJEESA-N 428.485 4.208 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OCCN3CC[C@@H](C)C3)cc2)cc1SC 465190115 ZOVHYYWGWUVMOL-OAHLLOKOSA-N 445.541 4.298 5 20 IIBD CN(C)CC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cc1 465364590 KWMPUXAOYKGDFF-UHFFFAOYSA-N 434.452 4.140 5 20 IIBD O=C(N[C@H]1CCc2c[nH]nc2C1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 467636778 MJKMBSROPPGOEP-AWEZNQCLSA-N 428.901 4.410 5 20 IIBD CCOC(=O)[C@H]1CCCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 468670736 WHKNRRXIXGSFAJ-OAHLLOKOSA-N 448.859 4.217 5 20 IIBD O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCN(C(=O)c2cc3ccccc3s2)CC1 468822847 CSJPEJCUBDXBGQ-UHFFFAOYSA-N 429.885 4.061 5 20 IIBD CCc1c(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cnn1-c1ccccc1C 472304901 JUVLFEPEXBHDLT-UHFFFAOYSA-N 434.496 4.335 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 472904026 LEXSAWNNXKLNTM-ZLNRFVROSA-N 446.507 4.064 5 20 IIBD Cc1cc(N[C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)c(Br)cc1[N+](=O)[O-] 473516955 FPOODDLKTFQXLW-ZDUSSCGKSA-N 448.317 4.496 5 20 IIBD O=C(NCCc1cccc(OCC(F)(F)F)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 475541672 GMWKJWLTLZXHPV-UHFFFAOYSA-N 437.418 4.453 5 20 IIBD O=C1N[C@H](c2ccc(OC(F)F)cc2)C(=O)N1Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 479178963 HXZQSXCQCDLFQX-CQSZACIVSA-N 445.300 4.008 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2cccc(Oc3ccncc3)c2)cc1[N+](=O)[O-] 482883854 ZNYGDYMWBRXCMZ-UHFFFAOYSA-N 448.464 4.314 5 20 IIBD CCCCn1c(=O)c2ccccc2n2c(SCc3ccc([N+](=O)[O-])cc3OC)nnc12 485368768 UYTIRGCHZNJPCU-UHFFFAOYSA-N 439.497 4.053 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CCO[C@@H](COCC3CC3)C2)cc1 485724063 XRNZGXOTHXPLEG-XMMPIXPASA-N 448.523 4.075 5 20 IIBD COc1cccc(CC2(C(=O)N3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)CCCCC2)c1 486394694 NKWMDFSHQFBSIZ-IBGZPJMESA-N 438.528 4.204 5 20 IIBD Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)C2)cc1 486603598 LZZDWGRQSHSTBT-MAUKXSAKSA-N 437.525 4.201 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCCc2cc(OC(F)(F)F)ccc21 488514049 MKAKKYJRTXLCMP-UHFFFAOYSA-N 432.358 4.272 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)cc1N1CCNC1=O 488659029 SNDVEYUAXPVOSK-UHFFFAOYSA-N 428.514 4.433 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)N1CC[C@H]([C@H]2CCOC2)C1 495880882 FAELVLWKNVZRGS-IRXDYDNUSA-N 429.904 4.359 5 20 IIBD COc1cc(C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)c([N+](=O)[O-])cc1OC 498466997 QDKRHYOOSUQNHT-UHFFFAOYSA-N 447.447 4.067 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3cc(F)cc(N4CCOCC4)c3)cc2[N+](=O)[O-])CC1 498591352 KSHWOCCAPOTQHZ-UHFFFAOYSA-N 442.491 4.059 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)c1ccc(NC(=O)Nc2ccccc2)cc1 499694436 LHNAWFBEYLZKHP-HNNXBMFYSA-N 436.472 4.011 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(CN3CCC[C@@H](C)C3)cc2)c([N+](=O)[O-])cc1OC 500788785 VBOHCXKGFQKCJE-MRXNPFEDSA-N 427.501 4.486 5 20 IIBD CCOc1cc(NC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)c([N+](=O)[O-])cc1OCC 503639693 NAUVPWPOCWRDBS-UHFFFAOYSA-N 444.488 4.078 5 20 IIBD Cc1cc(NC(=O)NCc2ccccc2[N+](=O)[O-])nn1CCCOc1ccc(F)cc1 504587941 ZBNMHPAVUJCRKK-UHFFFAOYSA-N 427.436 4.030 5 20 IIBD O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 504813010 JMBLVPWQVFTSPO-UHFFFAOYSA-N 426.476 4.366 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCOC[C@H]1c1nc2ccccc2s1 504848737 KPZDFHRXHWUQLE-INIZCTEOSA-N 428.470 4.209 5 20 IIBD COc1cc(CN2CCC(N3CCCC3)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 506432583 KKIAIKVXTNJYNW-UHFFFAOYSA-N 425.529 4.243 5 20 IIBD O=C(Nc1cccc(OCCc2ccccc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 506731040 JEPYMQWDFCGVTR-UHFFFAOYSA-N 439.855 4.447 5 20 IIBD C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1ccc([N+](=O)[O-])cc1I 508995944 IANBVXJBPSYXKZ-VIFPVBQESA-N 446.191 4.311 5 20 IIBD C[C@H](N[C@@H](C)c1c(F)cncc1F)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 513246872 FFWYAJDVHBMADM-QWRGUYRKSA-N 433.440 4.069 5 20 IIBD Cc1ccc(CCNC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)o1 514499029 LYQNERVIXCTXNN-UHFFFAOYSA-N 425.407 4.090 5 20 IIBD C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] 515662993 VNWAOSFAESMMJP-ZIAGYGMSSA-N 444.919 4.362 5 20 IIBD Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 515857144 WUPMZNAOILCMGJ-INIZCTEOSA-N 439.493 4.195 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(OCc3ccncc3)c(OC)c2)c1 516314373 CRTYMPHEVWVGHF-OAHLLOKOSA-N 437.452 4.077 5 20 IIBD COc1cc(CNCc2ccn(-c3ccccc3)n2)c([N+](=O)[O-])cc1OCC(F)(F)F 518274646 PJENBTWJAGQDHO-UHFFFAOYSA-N 436.390 4.020 5 20 IIBD C[C@@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])Sc1ccc(Br)cc1 518844902 ZSIRHQOSYJWOBG-NSHDSACASA-N 445.360 4.354 5 20 IIBD Cc1cccc(C(=O)c2c(NC(=O)Cn3cc([N+](=O)[O-])nc3C)sc3c2CCCC3)c1 520100163 GCLUXHQAUGFQKQ-UHFFFAOYSA-N 438.509 4.218 5 20 IIBD O=C(NC1CCN(C(=O)NC2CCCCC2)CC1)c1cc2cc([N+](=O)[O-])ccc2s1 522181407 UYMACOOYFFADSC-UHFFFAOYSA-N 430.530 4.046 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)N[C@H]2CCc3c(O)cccc32)cc1[N+](=O)[O-] 524375805 DURIWSYKVUBBQK-FQEVSTJZSA-N 445.475 4.015 5 20 IIBD O=C(Cc1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1)N1CCOCC1 525181094 QEXJJADISWNWNB-UHFFFAOYSA-N 437.521 4.337 5 20 IIBD C[C@@H](N=c1c([N+](=O)[O-])c[nH]c2ccc(Br)cc12)c1ccc([S@@](C)=O)cc1 533686795 SPMIJOLTFVTFGW-RPHGYIDUSA-N 434.315 4.238 5 20 IIBD COc1cccc(C(NC(=O)NCCc2cccc([N+](=O)[O-])c2)c2cccc(OC)c2)c1 534694797 GEUQXEQFPCZDEU-UHFFFAOYSA-N 435.480 4.243 5 20 IIBD COC(=O)c1sc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)nc1C1CC1 535487108 ZZTYFMPSXSGADI-UHFFFAOYSA-N 430.467 4.091 5 20 IIBD CCOc1ccc(F)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1F 536112398 HRDSYCROVIAIJY-UHFFFAOYSA-N 426.319 4.091 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@H](C)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 536897670 WJCLEIWSYVCCOI-WLRWDXFRSA-N 434.290 4.430 5 20 IIBD CCN(CCC1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1)CC1CC1 537831969 QEYFJZCOYGIBBM-INIZCTEOSA-N 437.968 4.376 5 20 IIBD NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 538510275 XLPGDRRRUFYYTB-LSDHHAIUSA-N 429.420 4.009 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)N1CCC(OCCO)CC1 539025496 NDUIDBNAZIFRGI-UHFFFAOYSA-N 436.917 4.013 5 20 IIBD CCN(CCC1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1)CC(C)C 539136480 GAYPEDZMIZORIX-UHFFFAOYSA-N 427.549 4.001 5 20 IIBD CN(C(=O)CN[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 540520698 ITPRUGLBUPDAEH-INIZCTEOSA-N 435.324 4.470 5 20 IIBD CO[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Nc1cccc(C(F)(F)F)c1)c1cnn(C)c1 540603599 PHOGFPPOHXSHQG-SFHVURJKSA-N 449.389 4.417 5 20 IIBD O=[N+]([O-])c1ccc(CSc2nnc(-c3cnccn3)n2Cc2ccco2)c(Cl)c1 542002578 DGNXIAZMCONQAC-UHFFFAOYSA-N 428.861 4.230 5 20 IIBD O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 542866097 PIPUEZXNRSETEH-CJNGLKHVSA-N 430.766 4.249 5 20 IIBD COc1ccc(NC(=O)C(=O)NCc2ccccc2Sc2ccccc2)cc1[N+](=O)[O-] 542995712 XQBNXHSPJCCNIE-UHFFFAOYSA-N 437.477 4.010 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 543914373 GSDFYHDTPFTXED-AAEUAGOBSA-N 446.813 4.095 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CCC(C(=O)c3cc(F)ccc3F)CC2)c1Br 544410146 ZYYQPHQHOUHDEW-UHFFFAOYSA-N 440.244 4.438 5 20 IIBD CC(=O)Nc1ccccc1-c1noc(-c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)n1 544923767 VTXDFTQXVAYNKQ-UHFFFAOYSA-N 432.440 4.132 5 20 IIBD COc1ccc(C(=O)CCCCC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 545378222 OZNQWCWFCUOUPP-UHFFFAOYSA-N 440.496 4.417 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1cccc2ccncc12 548874838 FANWYAWIXUFRAK-UHFFFAOYSA-N 433.205 4.308 5 20 IIBD O=C(c1ccccc1[N+](=O)[O-])N1CCN(Cc2ccc(-c3cccc(F)c3F)o2)CC1 552413698 SUPDEQZRLPDBRG-UHFFFAOYSA-N 427.407 4.091 5 20 IIBD COCCO[C@@H]1CCCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 555341421 DRKQZGZHDOLAHO-HSZRJFAPSA-N 436.512 4.075 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(Br)ccc1-n1cccn1 558345045 QAUPLPRRNNACDT-UHFFFAOYSA-N 444.289 4.249 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c1 558805130 ZNKYQPXHPKJZIB-UHFFFAOYSA-N 437.427 4.315 5 20 IIBD COCCCN(C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 561233944 YHQIDNFLVIYQGV-GOSISDBHSA-N 436.306 4.005 5 20 IIBD COC(=O)c1ccc(CN[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)o1 564748676 QSFVEAVSCZUGPF-LJQANCHMSA-N 443.843 4.097 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(-c3ccc(C(F)(F)F)c(F)c3)no2)c1N1CCOCC1 565447273 DRBIVQLTEAWYCW-UHFFFAOYSA-N 438.337 4.306 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)c1noc(COc2ccc([N+](=O)[O-])c(C)c2)n1 569766898 LLMWWAKPCHGBML-KRWDZBQOSA-N 434.246 4.364 5 20 IIBD Cc1ccccc1[C@@H](c1noc(-c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)n1)C(C)C 571483309 RWUWPZNHXHGLED-NRFANRHFSA-N 434.452 4.395 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(NCCc2ccc(Br)cc2Cl)s1 571704284 TVXUKFNYPVSCQI-UHFFFAOYSA-N 439.740 4.130 5 20 IIBD CN1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@@H]1c1cccs1 573867750 IFJJMQJVVDMKDO-SJKOYZFVSA-N 427.448 4.488 5 20 IIBD O=C(NCCc1nc(-c2cccc(Cl)c2)no1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 576483587 DBYNJERPAOWUFD-UHFFFAOYSA-N 440.765 4.290 5 20 IIBD COc1ccc(NC(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])c(C(F)(F)F)c1 582322022 NKRDZGXRTXQFMW-UHFFFAOYSA-N 443.378 4.004 5 20 IIBD C[C@@H](c1nc2ccccc2s1)N1CCN(c2ncnc3sc([N+](=O)[O-])cc23)CC1 587024562 ACGGNKVJUJVVRA-LBPRGKRZSA-N 426.527 4.092 5 20 IIBD Cc1cc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C)n(-c2ccc([N+](=O)[O-])cc2)n1 603515396 JYTSQXSGZJMPNU-UHFFFAOYSA-N 436.859 4.489 5 20 IIBD COc1ccc(CSc2nnc(CN3CCCCC3)n2-c2ccccc2)cc1[N+](=O)[O-] 603722147 MOXDQLWMULAFCG-UHFFFAOYSA-N 439.541 4.462 5 20 IIBD O=C(Nc1ccccc1-n1cc(Br)cn1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 603744650 XVGYMQYGUXYLGH-UHFFFAOYSA-N 442.273 4.370 5 20 IIBD COc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 604040548 ILOIUZBVVTUNRE-HNNXBMFYSA-N 431.297 4.436 5 20 IIBD O=C(CN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1Cl 604276178 GPKGXBSOJPCOBW-RKDXNWHRSA-N 433.736 4.249 5 20 IIBD COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)Sc1ncccc1[N+](=O)[O-] 604476747 CANHHKIZYSINLC-LLVKDONJSA-N 445.419 4.153 5 20 IIBD COc1ccc(CSCC(=O)NCCc2coc(-c3ccc(C)cc3)n2)cc1[N+](=O)[O-] 608818039 UQZHVUULMUMFRS-UHFFFAOYSA-N 441.509 4.159 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C(F)(F)F)ccc2F)cc1OC 609062408 JDORKEIBKWWKDT-UHFFFAOYSA-N 432.326 4.039 5 20 IIBD O=C(c1ccc(C(=O)N2CCC[C@@H]2C2CCC2)c([N+](=O)[O-])c1)N1CCC[C@@H]1C1CCC1 609114070 GRLILTCNFWWIMS-NHCUHLMSSA-N 425.529 4.404 5 20 IIBD C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 609509368 TYYRJRZCGNZHPN-JLTOFOAXSA-N 426.860 4.036 5 20 IIBD O=C(CCn1cc(Br)cn1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609755082 CFIOGAHVLXMWGX-UHFFFAOYSA-N 431.246 4.375 5 20 IIBD O=C1NCCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)[C@H]1c1ccccc1 609772747 GUEIAHUTYYNRDY-NRFANRHFSA-N 432.436 4.092 5 20 IIBD COC(=O)CSCc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c1 610044630 HKDIKDFIUNYQLE-UHFFFAOYSA-N 439.287 4.016 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 610093231 CGEKNARADBDFDR-UHFFFAOYSA-N 430.892 4.285 5 20 IIBD COc1cc(C(=O)N(Cc2cccc(Br)c2)C2CC2)cc([N+](=O)[O-])c1OC 610169990 LMNHQOSSAXQSRN-UHFFFAOYSA-N 435.274 4.179 5 20 IIBD Cc1cc(C)c2oc(NC(=O)c3ccc([N+](=O)[O-])cc3I)nc2c1 610662314 KQLBUAQXZOEXDS-UHFFFAOYSA-N 437.193 4.210 5 20 IIBD COc1cc(CN2CCN([C@@H](C)c3nc4ccccc4s3)CC2)c([N+](=O)[O-])cc1OC 611252965 AQGNLXQYTNZTSD-HNNXBMFYSA-N 442.541 4.101 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(COc2ccccc2)c1C 619467644 UPJOUYFAYOJDCR-UHFFFAOYSA-N 428.466 4.292 5 20 IIBD O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CC[C@]2(C1)C(=O)Nc1ccccc12 619658169 BHUJRRORAPLEJL-XMMPIXPASA-N 445.500 4.482 5 20 IIBD C[C@H](OC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C(=O)NC(c1ccccc1)c1ccccc1 725935998 QEIXHFQILIOIJV-AWEZNQCLSA-N 440.402 4.324 5 20 IIBD CC[C@@H]1CCc2nc(NS(=O)(=O)c3cc(Br)ccc3[N+](=O)[O-])sc2C1 727249742 DTHYIODBKBVGOS-SECBINFHSA-N 446.348 4.130 5 20 IIBD O=C(Cc1c[nH]c2cc(Cl)ccc12)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 727956077 GUXUGOQGPPSEBT-UHFFFAOYSA-N 428.876 4.127 5 20 IIBD Cc1onc(-c2ccccc2)c1C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730708516 PAOKNRPCKUJRJG-KRWDZBQOSA-N 435.436 4.020 5 20 IIBD O=Cc1ccc(OCC(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)c([N+](=O)[O-])c1 731604378 LBDVPDXZBQZVFR-DEOSSOPVSA-N 430.416 4.438 5 20 IIBD C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 732256521 GCUJBBDNIPGCSD-HNNXBMFYSA-N 436.434 4.076 5 20 IIBD CCCCc1nc(COC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cs1 733479666 WUOKCGHMJVUWBO-GOSISDBHSA-N 431.514 4.050 5 20 IIBD COC(=O)[C@H](OC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1cccc(Cl)c1 733819719 PFJQVNQCVALQQV-OAHLLOKOSA-N 447.749 4.260 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1occc1CS(=O)(=O)c1ccccc1 734779671 JPOGROPXFJMQBQ-UHFFFAOYSA-N 435.841 4.172 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)nc1 734834599 YIYGJROQDXWOCL-UHFFFAOYSA-N 442.280 4.281 5 20 IIBD COC1CCN(c2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)cc2C(F)(F)F)CC1 741920456 UWQUAVKVFYYCFP-UHFFFAOYSA-N 437.418 4.410 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2ccc(N3CCc4sccc4C3)cc2)cc1[N+](=O)[O-] 742030204 SORAVWCGRBGDOY-UHFFFAOYSA-N 447.513 4.467 5 20 IIBD C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1 746439202 IQFARDSRXMFYGV-HNNXBMFYSA-N 446.419 4.199 5 20 IIBD COc1ccc(-c2ccc(CNC(=O)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)s2)cc1 747794698 BBEATEWKYXPUAO-UHFFFAOYSA-N 445.884 4.240 5 20 IIBD Cc1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])c(Br)cc2F)c(C)n1C1CC1 751690955 FDDXRHLLLUEIOX-UHFFFAOYSA-N 439.237 4.289 5 20 IIBD Cc1cc(F)cc(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)c1[N+](=O)[O-] 753352985 QDZLEGUQZFBNKN-UHFFFAOYSA-N 433.237 4.302 5 20 IIBD CC(=O)Nc1ccc(C(=O)O[C@@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])cc1 753945100 JWQSHQJNPCSXFZ-KRWDZBQOSA-N 435.274 4.361 5 20 IIBD O=C(NCc1csc(Br)c1)c1cc(F)cc([N+](=O)[O-])c1Br 754979985 FKPQUWRVSFFUMQ-UHFFFAOYSA-N 438.072 4.250 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)Nc1ccc(OC(F)F)cc1 754989385 QGXYKGHXIJKMHO-MRVPVSSYSA-N 432.738 4.173 5 20 IIBD C[C@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc2c(c1)CCC(=O)N2 755030108 LYHXMTIOISDFRP-JTQLQIEISA-N 433.262 4.125 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1c[nH]nc1-c1ccccc1Cl 756601324 MFMNLVWTZPLHCM-UHFFFAOYSA-N 425.788 4.045 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cc2ccccc2cc1NC(=O)C(C)C 757114229 HIIYUNVMZQHYEG-UHFFFAOYSA-N 449.463 4.446 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 758342978 CRSBFFNCVXVQLK-SFHVURJKSA-N 436.484 4.377 5 20 IIBD CC(C)C(=O)Nc1cccc(F)c1C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760517758 CLYORKQPBPERTJ-UHFFFAOYSA-N 427.388 4.340 5 20 IIBD Cc1oc(-c2ccccc2)nc1Cc1noc(-c2ccn(-c3ccccc3[N+](=O)[O-])n2)n1 761489875 LSJTYTLZINOGNI-UHFFFAOYSA-N 428.408 4.385 5 20 IIBD CCC(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 761512877 POPYGQKCEZZOMF-NSHDSACASA-N 438.358 4.390 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@H](c2nc(-c3cc(F)cc(Br)c3)no2)C1 761663601 MQONMZHDBZPWNI-HNNXBMFYSA-N 433.193 4.412 5 20 IIBD O=[N+]([O-])c1ccc(OCc2nc(Cc3ccc(OCc4cccnc4)cc3)no2)cc1F 761673613 BSFOWHNHPBFQNA-UHFFFAOYSA-N 436.399 4.261 5 20 IIBD O=[N+]([O-])c1ccc(I)c(-c2nc([C@H]3CCc4ccccc43)no2)c1 762070870 NQYBEHAHOHHDLZ-ZDUSSCGKSA-N 433.205 4.328 5 20 IIBD C[C@H](C(=O)Nc1cccnc1N1C(=O)O[C@H](C(F)(F)F)[C@@H]1C)c1cccc([N+](=O)[O-])c1 763184090 WBYJMRFGWSCZEV-PGUXBMHVSA-N 438.362 4.008 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 764030644 RMGLISYKDOMQLD-LJQANCHMSA-N 429.517 4.123 5 20 IIBD CC[C@H](NC(=O)COC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccc(Cl)cc1 766234050 VSVRMVHNRODTFK-KRWDZBQOSA-N 427.844 4.221 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@@H](C)Cc1ccc(Br)cc1 766239421 ZNQADZIGKRHASO-ZDUSSCGKSA-N 435.274 4.026 5 20 IIBD O=C(Nc1ccc(-c2ncco2)cc1)c1cc([N+](=O)[O-])ccc1I 766674183 YKVGSEBDVMIOBJ-UHFFFAOYSA-N 435.177 4.107 5 20 IIBD O=C(O[C@H]1CCOC[C@H]1OCc1ccccc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 766993214 AAXJYQHFURHQLV-ZWKOTPCHSA-N 425.359 4.145 5 20 IIBD Cc1c(C(=O)N2C[C@@H](C)Oc3ccc(Br)cc32)cc([N+](=O)[O-])cc1[N+](=O)[O-] 767331358 ZMAHDKRHSQLOOP-SECBINFHSA-N 436.218 4.002 5 20 IIBD C[C@@H](Sc1nnc(Cc2cccc(F)c2)o1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 768365783 VOICJTJTWYTCIU-SNVBAGLBSA-N 436.852 4.480 5 20 IIBD CCOc1cc(C(=O)O[C@@H](Cc2ccc(Cl)cc2F)C(C)=O)c([N+](=O)[O-])cc1OC 768414580 JKMLDMGIVZAMOI-KRWDZBQOSA-N 439.823 4.152 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 770003596 QKDNIPBJZAJVOD-UHFFFAOYSA-N 437.843 4.490 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)C2(Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 771169800 GOALYWHXYTWCSO-CYBMUJFWSA-N 432.860 4.150 5 20 IIBD CC(C)c1nc2ccccc2n1Cc1noc([C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 771308436 UTXJJANFWHCDMR-LJQANCHMSA-N 432.440 4.365 5 20 IIBD CSc1cccnc1-c1noc(-c2cc([N+](=O)[O-])ccc2I)n1 771474941 PYNGJGWXDGQRCU-UHFFFAOYSA-N 440.222 4.033 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccccc1CS(=O)(=O)c1ccccc1)CC2 774219881 QGTKMLYWTNOQLT-UHFFFAOYSA-N 436.489 4.080 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 777963151 HOHLVLQNCYPEGQ-SJLPKXTDSA-N 429.521 4.041 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)[C@@H]1CCCN(c2ncnc3sccc23)C1 778813096 VPEGRQHWKMARIR-HUUCEWRRSA-N 426.498 4.429 5 20 IIBD CC(C)c1ccc([C@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])NC(=O)OC(C)(C)C)cc1 779511186 GVCWVUNCRAJKJJ-SFHVURJKSA-N 442.516 4.296 5 20 IIBD CC(C)(C)OC(=O)N1CCOC[C@@H]1c1noc(-c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 779581363 KQXXTLVOBPHCAT-MRXNPFEDSA-N 432.477 4.251 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1c1c(F)cc([N+](=O)[O-])cc1F 779609801 YTWWVOCJGVCLSU-FQEVSTJZSA-N 428.439 4.313 5 20 IIBD Cc1cc2oc(=O)cc(COC(=O)c3cccc([N+](=O)[O-])c3Br)c2cc1C 781678774 UNCCAFPYBAHILF-UHFFFAOYSA-N 432.226 4.438 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCCCc1ccc(Cl)cc1Cl 781694108 UJFMNGMFGCIDNZ-UHFFFAOYSA-N 426.256 4.491 5 20 IIBD CC(C)n1c([C@H]2CCCN2C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)nc2ccccc21 781997180 XJOURNMVCQHTRD-FGZHOGPDSA-N 447.495 4.382 5 20 IIBD O=C(Nc1ccc(Cl)c(Cl)n1)c1cc([N+](=O)[O-])ccc1I 782847494 RZPRHYSWKOYYRB-UHFFFAOYSA-N 438.008 4.154 5 20 IIBD Cc1nn(C(F)F)c(C)c1COC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 784996297 HGIDSDPTVXBCDA-UHFFFAOYSA-N 436.337 4.367 5 20 IIBD Cc1cc(-n2cc(COC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)nn2)ccc1F 786297504 WEGPCBYMWVVMQA-UHFFFAOYSA-N 439.428 4.104 5 20 IIBD Cc1cnc(COC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c(C)c1[N+](=O)[O-] 789444199 TTXXEGZGMRHROV-FQEVSTJZSA-N 433.464 4.211 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1cccc(NC(=O)c2ccncc2)c1 790533713 WVVQKMKNNQSMQA-UHFFFAOYSA-N 428.807 4.216 5 20 IIBD CCS(=O)(=O)c1ccc([C@@H](C)NCc2ccc(Br)c([N+](=O)[O-])c2)cc1 790653018 OIAXOOSCKNJANO-GFCCVEGCSA-N 427.320 4.002 5 20 IIBD CCOCc1ccc(CNC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cc1 790668039 UHVCEWQOCDUGBL-UHFFFAOYSA-N 448.317 4.162 5 20 IIBD O=C(c1cnc(-c2ccccn2)s1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791174531 NGPBYSPIPAPKIU-UHFFFAOYSA-N 445.298 4.074 5 20 IIBD Cc1c(Br)cccc1CC(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 791794624 MKTYPWLGJOYQIH-UHFFFAOYSA-N 448.317 4.063 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)Cc2ccc(Cl)cn2)c2ccccc2)c([N+](=O)[O-])c1 792715900 CYKSVABZKYSDEK-NRFANRHFSA-N 439.855 4.417 5 20 IIBD CCO[C@H](C)c1nc(CN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cs1 792896970 JHODQLOJWKYPNG-LLVKDONJSA-N 426.336 4.470 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCCc1cccc(OCC(F)(F)F)c1 794348246 WLAHRTRUOYYHFI-UHFFFAOYSA-N 434.773 4.230 5 20 IIBD CCOC(=O)/C(=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc([N+](=O)[O-])cn1 794947963 BVGNNXFWRPTRQS-CXUHLZMHSA-N 426.410 4.125 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@@H](CCO)Cc3ccccc3)cc2[N+](=O)[O-])n1 799810912 GKPDHPHKBJPCRR-KRWDZBQOSA-N 443.550 4.234 5 20 IIBD Cc1c(C(=O)Nc2ccc(NC(=O)CC(F)(F)F)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 801091834 GIIXNUJZCYVEHS-UHFFFAOYSA-N 440.334 4.263 5 20 IIBD C[C@H]1C[C@@H](OC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccsc2S1(=O)=O 809099295 RVMUJHFRBWNZCR-ISVAXAHUSA-N 435.401 4.139 5 20 IIBD Cc1noc(C)c1-c1ccc(OS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cc1 809840259 TWXDLAHTCQKVNX-UHFFFAOYSA-N 426.809 4.427 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 814431574 MRVFVSVDTSVMPX-ZWKOTPCHSA-N 431.533 4.403 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)Nc1ccccc1C(F)(F)F 815512307 PEZWIFUUTSHEBA-UHFFFAOYSA-N 436.264 4.428 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)c1 875146264 VSNRKPRMDBCEJR-NSHDSACASA-N 440.880 4.313 5 20 IIBD C[C@H](c1ccccc1Cl)N(C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)C1CC1 914480170 NBAOZXLTWCMIBC-OAHLLOKOSA-N 429.904 4.451 5 20 IIBD CCCCOc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc1OC 916448104 XEFCCWLXAOTCQZ-AWEZNQCLSA-N 431.445 4.490 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)CCCc2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])c1C 916776314 VBKHMLJMJCFWCO-UHFFFAOYSA-N 445.324 4.346 5 20 IIBD Cc1cccc(Nc2nn(CN3CCN(c4cccc([N+](=O)[O-])c4)CC3)c(=S)s2)c1 917455846 BFLCCFKZZPZXMR-UHFFFAOYSA-N 442.570 4.414 5 20 IIBD O=c1c(-c2ccccc2)coc2cc(OS(=O)(=O)c3cccc(F)c3[N+](=O)[O-])ccc12 918194405 OGQWUJXQWNNSBW-UHFFFAOYSA-N 441.392 4.275 5 20 IIBD C[C@H](Nc1ccc(C(=O)OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1[N+](=O)[O-])c1ccccn1 920546606 LKTXRLUDEZQUIC-BBWFWOEESA-N 440.500 4.109 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O[C@H](C)C(=O)Nc1ccc(F)cc1Cl 920779680 VXIYOLDBIMETQA-ZJUUUORDSA-N 445.230 4.378 5 20 IIBD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc([N+](=O)[O-])c1 920899213 AVEYTBFGMCHHOP-SNVBAGLBSA-N 441.318 4.014 5 20 IIBD COc1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C)c2ccc(OC)cc2OC)cc1 1116029197 AHOHYZRPNBAKDI-QHCPKHFHSA-N 436.464 4.448 5 20 IIBD COc1ccc2sc(C(=O)N3CCN(Cc4cccc([N+](=O)[O-])c4)CC3)c(C)c2c1 1116131116 HHHAHGYRGMASPZ-UHFFFAOYSA-N 425.510 4.085 5 20 IIBD COc1ccc(Br)cc1N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 1251126999 XIAWGOLCKRZGGB-SECBINFHSA-N 428.670 4.458 5 20 IIBD Cn1cnnc1Sc1ccc(-c2nnc(-c3ccc4ccccc4n3)o2)cc1[N+](=O)[O-] 1257629865 PYYZMQKWKMFZDF-UHFFFAOYSA-N 431.437 4.140 5 20 IIBD CC(C)(C(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])cc1F 1320336646 NNKTWIZBFSQDIY-UHFFFAOYSA-N 448.882 4.041 5 20 IIBD CC(C)c1[nH]nc(C(=O)OCc2ccc([N+](=O)[O-])cc2Br)c1Br 1327355955 ZDSIHZRYGUVOOX-UHFFFAOYSA-N 447.083 4.323 5 20 IIBD Cc1ccc(OS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c2c1[C@@H](C)CC2=O 1338739020 LQFPXPSQOGMMCU-JTQLQIEISA-N 440.271 4.123 5 20 IIBD O=[N+]([O-])c1ccc(OCC(F)(F)F)cc1-c1nnc(-c2nnc(-c3ccccc3)o2)o1 1346056489 NIVQXTIFECXKJK-UHFFFAOYSA-N 433.302 4.303 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC1(c2ccc(NC(=O)CC3CC3)cc2)CCC1 1787826899 XGAPOTGFABMNGU-UHFFFAOYSA-N 436.512 4.209 5 20 IIBD Cc1[nH]ccc1C(=O)NC1(c2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2)CCC1 1790696693 YSJMYFPQOJCMBV-UHFFFAOYSA-N 436.443 4.432 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(F)c2F)CC1 1830079508 BOUUPZRJWJDJNF-KRWDZBQOSA-N 447.438 4.013 5 20 IIBD CCc1cccc(C)c1NC(=O)COC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 9332879 IJIHYTLKXBRPDO-UHFFFAOYSA-N 439.390 4.078 5 20 IIBD C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1nc2ccccc2n1C(F)F 10319984 PYCJULWDRSPJJT-AWEZNQCLSA-N 443.454 4.433 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])OCc1nc(-c2cccc(C(F)(F)F)c2)no1 10610687 BOGSLTXAFDDGBA-UHFFFAOYSA-N 439.371 4.499 5 20 IIBD C[C@@H](OC(=O)c1cc(Br)ccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1 11481527 HOFZBNIBQLCQFI-SECBINFHSA-N 427.638 4.195 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1F 15390221 WFNUSYKKSDVVPA-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD C[C@H](OC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)N(Cc1ccccc1)Cc1ccccc1 21348266 ADILSTWMKDJIQE-IBGZPJMESA-N 432.476 4.298 5 20 IIBD C[C@@H](OC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]1c1cccs1 22243793 WODVQQOPKRKYNO-CXAGYDPISA-N 429.498 4.140 5 20 IIBD COc1ccc2cc(CN(C)C(=O)[C@@H](C)OC(=O)c3ccc([N+](=O)[O-])c(C)c3)ccc2c1 22736805 LGDCEVFWAWVDSM-MRXNPFEDSA-N 436.464 4.269 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ncc(Cc2ccc(Br)cc2)s1 28642391 ODATWLLGEFAXLR-UHFFFAOYSA-N 448.298 4.422 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)N1CCCCC1 59782505 QTQHCIQNQQYQPO-DYESRHJHSA-N 443.569 4.427 5 20 IIBD COc1cc(CNc2ccc(N3CCCC3=O)cc2)c([N+](=O)[O-])cc1OCC(F)(F)F 237213070 JUZWTUQXLKBFSA-UHFFFAOYSA-N 439.390 4.283 5 20 IIBD COc1ccc(-c2ccc(CNc3cc(-c4ccoc4C)nn3CCO)o2)c([N+](=O)[O-])c1 237427705 RKPHVAGOCZNNGB-UHFFFAOYSA-N 438.440 4.233 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccc(Br)cc1 301065790 XQOULCZQORUXHI-CYBMUJFWSA-N 434.290 4.003 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1 301337143 GVQFUBDCCXFIOR-UHFFFAOYSA-N 439.475 4.167 5 20 IIBD Cc1ccc(Cl)cc1N1CC[C@H](CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 301442917 YKZSLRCHSOTRDE-OAHLLOKOSA-N 430.892 4.452 5 20 IIBD Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 303195404 WEXVMBLVKBXUPT-KRWDZBQOSA-N 430.936 4.391 5 20 IIBD CC[C@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)c1cc(F)ccc1F 303819484 JUENOBHVJCKTAB-KRWDZBQOSA-N 425.457 4.221 5 20 IIBD COCCN(C(=O)c1ccc([N+](=O)[O-])cc1OC)[C@H](C)c1cccc(C(F)(F)F)c1 427181293 DXNYLJBDDZGORM-CYBMUJFWSA-N 426.391 4.472 5 20 IIBD CNC(=O)c1cc(Oc2ccccc2NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)ccn1 428854518 BFPCLQMCUBINML-CQSZACIVSA-N 435.440 4.024 5 20 IIBD Cc1c(NC(=O)C(=O)Nc2cccc3c2CCCC3)cc(Br)cc1[N+](=O)[O-] 430357963 XCNQIFKSKVHQTJ-UHFFFAOYSA-N 432.274 4.122 5 20 IIBD COc1cc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)ccc1OCc1cscn1 430548987 XBAKYKFZRUGKBP-UHFFFAOYSA-N 427.482 4.304 5 20 IIBD Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 433395604 ARJDTFTUHFUREC-UHFFFAOYSA-N 427.411 4.470 5 20 IIBD COc1ccc(NC(=O)CNc2cc(Br)ccc2OC(C)C)c([N+](=O)[O-])c1 433492133 CXMKIOBEKCZCFU-UHFFFAOYSA-N 438.278 4.204 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)Nc1c(Cl)ccc2c1CCO2)c1ccccc1[N+](=O)[O-] 433811676 KNHALBBPOVFCRZ-MRXNPFEDSA-N 447.875 4.388 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc1C(=O)N(C)C 434170564 RVHJEMJTPIOPDG-HOTGVXAUSA-N 438.528 4.340 5 20 IIBD O=C(Nc1ccc(N2CCOCC2)c2ccncc12)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437388834 HUOYGYRPYCHGCB-UHFFFAOYSA-N 447.495 4.176 5 20 IIBD COC(=O)c1cccc(-c2noc(CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)c1 438814027 NINCXUHZGGFUAS-UHFFFAOYSA-N 436.346 4.105 5 20 IIBD C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 444402906 VDZHEIFRFTYVGK-XOBRGWDASA-N 441.871 4.164 5 20 IIBD O=C(Cc1noc([C@H]2C[C@@H]2c2cccc(Cl)c2Cl)n1)NCc1ccc([N+](=O)[O-])cc1 445731659 IQJOZKKGCOJBBD-CABCVRRESA-N 447.278 4.415 5 20 IIBD COc1cc(Cc2noc(-c3ccc(Oc4ccccc4)nc3)n2)c([N+](=O)[O-])c(OC)c1 445817525 FCVHSOLOGLLSRB-UHFFFAOYSA-N 434.408 4.440 5 20 IIBD CCCc1c(NC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cnn1-c1ccc(F)cc1 446298945 WBAMTYJQTMLLSC-UHFFFAOYSA-N 437.435 4.070 5 20 IIBD Cn1cnc(-c2ccc(C(=O)Nc3ccc(OCc4ccccc4)cc3[N+](=O)[O-])cc2)n1 446427654 INRDKUWXODHTHI-UHFFFAOYSA-N 429.436 4.222 5 20 IIBD COc1cc(OC)c(C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])cc1OC 446435081 TUWGEXDYZUNFHR-UHFFFAOYSA-N 438.436 4.452 5 20 IIBD CCN(Cc1cccc(F)c1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCO1 461153393 IYVFDMHYCSFEDT-HXUWFJFHSA-N 425.464 4.198 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1coc(-c2ccccc2)n1 462292722 GELFUZYPEASGLI-UHFFFAOYSA-N 428.253 4.035 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](CC(=O)N(C)C)c2cc(Cl)ccc21 462602664 NIMWLNVUVYSRBI-SJORKVTESA-N 443.931 4.426 5 20 IIBD COc1cc(C(=O)N2CCc3c(Cl)cccc32)c([N+](=O)[O-])cc1OCc1cscn1 465268775 VYJSAIWIPJTUSP-UHFFFAOYSA-N 445.884 4.495 5 20 IIBD C[C@@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])c1cccc(NC(=O)c2ccccc2)c1 465561046 DSFAXNINIMLBAE-QGZVFWFLSA-N 432.480 4.450 5 20 IIBD CC(C)(C)c1csc(CCNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 465867633 OOVDVDDSKWQVNU-UHFFFAOYSA-N 432.546 4.144 5 20 IIBD CCOc1ccc(NC(=O)CNc2cc(Br)c(F)cc2F)c([N+](=O)[O-])c1 466847948 HTTPQTQNXYAFBK-UHFFFAOYSA-N 430.205 4.085 5 20 IIBD COc1cc(OC)cc(N2CCCN(c3cc(C)nc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)c1 467439106 SHOZYBQQXDLDMK-UHFFFAOYSA-N 449.511 4.094 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[C@@H](C)c1cccc(C(F)(F)F)c1 467791036 YWWRGAIFQHGZJC-GFCCVEGCSA-N 432.420 4.094 5 20 IIBD C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C[C@@]2(CCO[C@@H]2C)O1 468530476 JVDBIPKOTYXUDH-XCGNWRKASA-N 428.510 4.155 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CCC[C@@]2(C)Cc2ccccc2)cc1[N+](=O)[O-] 468780596 BBBHFWKNRBIDCY-QFIPXVFZSA-N 437.525 4.112 5 20 IIBD COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1 469053615 VAUCZMHRGJDJGD-UHFFFAOYSA-N 428.466 4.008 5 20 IIBD COc1cc(C(=O)N[C@H](CCO)c2ccco2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 470554606 CDSHCWAHELVQCA-OAHLLOKOSA-N 446.843 4.496 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN(c1cccc(CO)c1)C1Cc2ccccc2C1 470870621 AAXYOTFIIKYBKN-UHFFFAOYSA-N 431.492 4.008 5 20 IIBD COc1cccc([C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)c2cc(F)ccc2OC)c1 471453775 VDUYPTHDBGZICP-HSZRJFAPSA-N 440.427 4.036 5 20 IIBD Cc1ccn(CC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c(=O)c1[N+](=O)[O-] 471529320 NTNBAUUNMPLTGB-UHFFFAOYSA-N 439.280 4.134 5 20 IIBD COc1ccccc1[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)OC(C)C 472478988 UVYDZRMEOUGTRH-JOCHJYFZSA-N 427.501 4.418 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O 475099629 YALLPQHFJYJYSH-QGZVFWFLSA-N 436.295 4.146 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1cc(-c2nnc3n2CCCCC3)ccc1F 477026009 POWVNDNNKCJHLO-UHFFFAOYSA-N 427.411 4.039 5 20 IIBD O=C1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 478482554 HPYFZYBWATUIMC-BLLLJJGKSA-N 437.283 4.061 5 20 IIBD CC(C)(NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccc(Br)cc1 478832535 YQDXJEMRARRQIX-UHFFFAOYSA-N 429.274 4.208 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 479211669 FWBJANJSDAACTR-INIZCTEOSA-N 449.913 4.342 5 20 IIBD CC(C)(C)c1ccc(C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)cc1[N+](=O)[O-] 480494431 XVAZTWQLEWMQHT-UHFFFAOYSA-N 445.479 4.002 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cnn(-c3ccccc3Cl)c2CC)cc([N+](=O)[O-])c1 482698557 YHLZVCDEWDQEFY-UHFFFAOYSA-N 442.859 4.425 5 20 IIBD O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 484724929 DPMONFZNVGKXMP-UHFFFAOYSA-N 426.845 4.205 5 20 IIBD O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC1(c2cc(C(F)(F)F)ccc2Cl)CC1 484988326 QAZWBDQKZZRBNR-ZDUSSCGKSA-N 430.810 4.286 5 20 IIBD COc1ccc(-c2noc([C@@H](C)S(=O)(=O)[C@@H](C)c3cc([N+](=O)[O-])ccc3C)n2)cc1 485245335 MLNNYXAZDSHFFY-UONOGXRCSA-N 431.470 4.199 5 20 IIBD O=C(O)CSCc1cccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 485804342 IBXWPLAOLKLYJD-UHFFFAOYSA-N 429.479 4.288 5 20 IIBD Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 486884914 ZWGATLWBKAJLKK-INIZCTEOSA-N 449.511 4.143 5 20 IIBD Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 487480344 UXNICNIDUDOSDU-UHFFFAOYSA-N 444.441 4.472 5 20 IIBD C[C@H](Nc1ccc2c(c1)CCCC(=O)N2)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 488527635 JRRODHYNAXNCMP-NSHDSACASA-N 436.390 4.328 5 20 IIBD COc1ccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1Oc1ccc(C)nn1 500054006 PXQNRTOBICSSFA-UHFFFAOYSA-N 435.440 4.084 5 20 IIBD CCCN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@H]1CCCN(Cc2ccccc2)C1 504982502 GPJLQLKYUJRSKP-QFIPXVFZSA-N 447.539 4.297 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@@H](c3nc(C)no3)C2)c([N+](=O)[O-])c1 505541120 VKTWISWACPYUHQ-WIYYLYMNSA-N 435.484 4.154 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1Oc1cccnc1)c1cccc([N+](=O)[O-])c1 506526013 KXGKTNWYQGFRSO-ZDUSSCGKSA-N 440.843 4.251 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@H]1COCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] 506611230 QAIZONUSJBYYKE-MRXNPFEDSA-N 432.830 4.197 5 20 IIBD O=C(Nc1cccc(Br)c1)C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 507316993 JDFUDAPPLVLQRP-UHFFFAOYSA-N 448.317 4.087 5 20 IIBD Cc1cc(C(=O)Nc2cc(Br)ccc2Sc2nncn2C)ccc1[N+](=O)[O-] 507923101 XBZDZGSKXJIXAY-UHFFFAOYSA-N 448.302 4.198 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)NCc2cc3ccccc3s2)cc1[N+](=O)[O-] 509024214 UVFSERFSNOIQPL-UHFFFAOYSA-N 425.495 4.019 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(CNc3ccc([N+](=O)[O-])cc3OC(F)F)cc2)C[C@@H](C)O1 509027814 BGKFSZXFRVZPGN-OKILXGFUSA-N 435.427 4.058 5 20 IIBD Cc1c(Br)cc(C(=O)N[C@H](C)c2ccc3c(c2)CCC(=O)N3)cc1[N+](=O)[O-] 509994429 MVIGKEVSTWBYBL-LLVKDONJSA-N 432.274 4.041 5 20 IIBD Cn1cccc(NC(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)c1=O 511492445 RUGOAEKJARTLPH-SSZFMOIBSA-N 446.488 4.473 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCc1cccc(NC(=O)C2CCCCC2)c1 512089086 CYKALSJXZZXVBM-UHFFFAOYSA-N 438.528 4.498 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2ccc(NC(=O)NC(C)C)cc2)cc1[N+](=O)[O-] 512275359 SQPOQXOEAPJFID-UHFFFAOYSA-N 435.278 4.448 5 20 IIBD CC(C)Oc1ccc([C@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)N(C)C)cc1 515014638 OXCQPWRFBLZCME-NRFANRHFSA-N 431.508 4.218 5 20 IIBD O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)N1CCN(c2ccccc2[N+](=O)[O-])CC1 515220714 PSOXLJDAHDOYSX-UHFFFAOYSA-N 438.484 4.381 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)NCc1ccccc1CN1CCCC[C@H]1C 515755397 HHUKNRPUSDDCSY-QZTJIDSGSA-N 440.544 4.095 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1nnc(Cc2ccccc2F)s1 518120517 DSMRVLRIYMXBPV-UHFFFAOYSA-N 444.491 4.375 5 20 IIBD COc1cc(OCC(=O)Nc2cccc(COc3cccc(F)c3)c2)ccc1[N+](=O)[O-] 519039453 KFZQQCYCOXRFGT-UHFFFAOYSA-N 426.400 4.339 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1NCc1cccc2cccnc12 521100603 LSUSENZETVNMLO-UHFFFAOYSA-N 440.525 4.320 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1nc(Cc2ccccc2)c(-c2ccccc2)s1 521551837 JWVDXKMTDCXKKH-UHFFFAOYSA-N 433.493 4.453 5 20 IIBD COc1cc(C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)ccc1[N+](=O)[O-] 521635991 ADIFCJRSDYNIKG-QGZVFWFLSA-N 429.231 4.263 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1c(Cl)cccc1[N+](=O)[O-] 521921176 QZYALICVCAZRCU-UHFFFAOYSA-N 437.905 4.065 5 20 IIBD COc1ccccc1Oc1ccc(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 521970350 DSOAVTAPYGTSEJ-UHFFFAOYSA-N 428.466 4.411 5 20 IIBD O=C(Nc1ccccc1)c1cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)ccc1Cl 522315299 UNTRVXNMMMBLDC-UHFFFAOYSA-N 439.811 4.482 5 20 IIBD CC(C)N(C)CCNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 522767968 JKAARBLJGBDCDX-UHFFFAOYSA-N 438.887 4.319 5 20 IIBD CCC(CC)[C@H](NC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cccs1 523081821 NKWVEDWVUAAWEK-IBGZPJMESA-N 447.513 4.050 5 20 IIBD COc1ccc(NC(=O)NCc2cccc([N+](=O)[O-])c2)cc1NC(=O)C1CCCCC1 523904797 DRECJMVOYFASSJ-UHFFFAOYSA-N 426.473 4.444 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 532707352 YTZGPJBDPMGMHV-REWPJTCUSA-N 431.496 4.164 5 20 IIBD Cc1c(CC(=O)NCCCOc2ncc(C(F)(F)F)cc2Cl)cccc1[N+](=O)[O-] 534571674 PDJRHEXMEWHINK-UHFFFAOYSA-N 431.798 4.098 5 20 IIBD CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H](CN1CCN(C)CC1)c1ccccc1 535063567 ANWIGXFZPGRMQZ-LEWJYISDSA-N 428.602 4.044 5 20 IIBD O=C(NCC1CCN(c2ccncc2)CC1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 537931466 RPUOZNBHMCACCW-UHFFFAOYSA-N 445.523 4.248 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 538235976 AYNLOTABLZLZFM-FUHWJXTLSA-N 439.693 4.200 5 20 IIBD CO[C@@H](C)c1nc(CN2CCCN(c3cc(C)nc4c([N+](=O)[O-])cccc34)CC2)cs1 538449733 LRSJLQPNDYITAL-INIZCTEOSA-N 441.557 4.328 5 20 IIBD CC(C)(C)Cc1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)n1 539555958 ZITHSYQNSMGFCM-UHFFFAOYSA-N 434.337 4.203 5 20 IIBD O=C(N[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 539697554 RACLYMXFRTUKIL-GDBMZVCRSA-N 436.386 4.451 5 20 IIBD CCS(=O)(=O)N1CCC(CN[C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 543626570 HLMAVJILEUBQQU-HNNXBMFYSA-N 437.587 4.036 5 20 IIBD CC(C)(C(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1)c1ccc([N+](=O)[O-])cc1F 545119742 PTKXRPGNAKBCCR-UHFFFAOYSA-N 448.454 4.248 5 20 IIBD C[S@](=O)Cc1noc(C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)n1 545752568 SRLAJFFNUGFUOA-VTXRXXNCSA-N 440.506 4.249 5 20 IIBD NC(=O)c1ccc(SCc2nc(Cc3ccc(Cl)c(Cl)c3)no2)c([N+](=O)[O-])c1 546242181 WWYKAKCWPZJTIY-UHFFFAOYSA-N 439.280 4.267 5 20 IIBD CCO[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)[C@@]12CCCO2 546757666 FKFBOANQTPHGJE-VWPQPMDRSA-N 428.510 4.202 5 20 IIBD COc1ccc(CN(C(=O)NCCc2ccccc2[N+](=O)[O-])[C@@H](C)C2CC2)c(OC)c1 549109220 SEFVODCEGGUKRZ-INIZCTEOSA-N 427.501 4.165 5 20 IIBD CCN(CC)C(=O)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1 550599459 MEEIVEQJDWCTGU-UHFFFAOYSA-N 448.317 4.329 5 20 IIBD COC(=O)c1cc(NC(=O)c2cccc(C(=O)Nc3ccccc3)c2)c(C)c([N+](=O)[O-])c1 552211922 KPHMNXSAHXBYQS-UHFFFAOYSA-N 433.420 4.194 5 20 IIBD COc1ccc(Cl)cc1C[C@H]1CCCN(c2nc(O)c3cc([N+](=O)[O-])ccc3n2)C1 553080538 NPLMPVMTYQIATL-CYBMUJFWSA-N 428.876 4.365 5 20 IIBD COc1cccc(-c2nnc(N(C)Cc3ccccc3[N+](=O)[O-])n2CC(C)C)c1OC 555361462 GTDKPUQAQYKZMA-UHFFFAOYSA-N 425.489 4.163 5 20 IIBD O=C(Nc1ccc(Cn2ccnc2)cn1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 557716571 WDDLLXHEZUBGCV-UHFFFAOYSA-N 429.436 4.066 5 20 IIBD Cc1nn(-c2ccccc2)cc1CCCNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 560928973 WXWQMIABRNLNGA-INIZCTEOSA-N 442.903 4.259 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCN(C(=O)c3cccs3)CC2)cc1OC 576374994 IIIUJKIRZSBPKN-INIZCTEOSA-N 447.557 4.048 5 20 IIBD CC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccc(OC)c(OC)c1 582187324 OLZQEFRHJXAVJJ-INIZCTEOSA-N 437.290 4.185 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(-c2ccc(C(=O)NC3CC3)cc2)no1 583109678 XJAHTGLQJPTQQD-UHFFFAOYSA-N 443.257 4.275 5 20 IIBD Cc1cc(CNC(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)ccc1-c1ccccc1 583163928 PUUUCOOEIVCLTA-UHFFFAOYSA-N 443.503 4.378 5 20 IIBD COc1cc(OC)c(C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)cc1OC 585727670 BJCYQYXKIAALGO-UHFFFAOYSA-N 436.420 4.104 5 20 IIBD COc1cc([N+](=O)[O-])ccc1-c1nc(Cc2c[nH]c3cccc(Br)c23)no1 589138301 PCLAPWIWTQIQRT-UHFFFAOYSA-N 429.230 4.488 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CC(Cc3cccc(C(F)(F)F)c3)C2)cc([N+](=O)[O-])c1 590425012 XJZAWTVSSIONFI-UHFFFAOYSA-N 436.386 4.105 5 20 IIBD COc1cccc(NC(=O)COc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)c1 603479435 GYJKREDMQDGFED-UHFFFAOYSA-N 435.436 4.182 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cc(F)cc(F)c3)cc2)cc1[N+](=O)[O-] 603502182 XTGOQSHCWQKUHV-UHFFFAOYSA-N 447.419 4.235 5 20 IIBD O=C(c1ccc2nc[nH]c2c1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 603918743 WPPILSCFXNMLSH-UHFFFAOYSA-N 447.520 4.158 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CCCc4cc(F)cc(F)c43)cc2)c(C)c1[N+](=O)[O-] 603962861 DCWVYFVKTIENJJ-UHFFFAOYSA-N 426.423 4.328 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-n3nc(C)cc3C)c(F)c2)cc1OC 603989368 BTABTHGOVADCQY-UHFFFAOYSA-N 428.420 4.196 5 20 IIBD COc1cc(C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)no2)c([N+](=O)[O-])cc1OC 604570444 VCMIVLQDNXQTCL-UHFFFAOYSA-N 443.431 4.111 5 20 IIBD Cc1ccc(NC(=O)NC[C@@H]2CCCN(CCCOc3ccc([N+](=O)[O-])cc3)C2)cc1 609040529 UIBLXBZURKQHBJ-IBGZPJMESA-N 426.517 4.206 5 20 IIBD COC(=O)c1ccc(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])c(OCC(F)(F)F)c1 609066862 ILHFNSCAXNQGHZ-UHFFFAOYSA-N 444.387 4.297 5 20 IIBD O=[N+]([O-])c1ccc(-c2cnn(Cc3nc(-c4cc(Br)cs4)no3)c2)cc1 609150846 FKFVBFNHQNPSSD-UHFFFAOYSA-N 432.259 4.381 5 20 IIBD CC[C@@H](C)[C@H](C)N(C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C1CC1 609189969 HZIFKBHDVYDGAM-CVEARBPZSA-N 445.541 4.435 5 20 IIBD CC1(C)CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@H]1c1ccccc1 609418534 WCWCEGHAHBRKCE-INIZCTEOSA-N 425.304 4.129 5 20 IIBD CN(CCCNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)CC(F)(F)F 609773007 MFQZCPOJDNJLKE-UHFFFAOYSA-N 426.395 4.393 5 20 IIBD O=[N+]([O-])c1cccc(-n2nc(-c3ccco3)cc2NS(=O)(=O)c2cc(F)ccc2F)c1 609831272 RJGSQHBAGDSJQC-UHFFFAOYSA-N 446.391 4.120 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1 609836048 HEUCDCIEUGVJPD-LJQANCHMSA-N 426.860 4.381 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1OCc1cccc(Cl)c1 609937889 HHOFKQCGKHXSBL-UHFFFAOYSA-N 439.855 4.082 5 20 IIBD CCOC(=O)c1ccnc(Nc2cccc(C[S@@](=O)c3ccccc3)c2)c1[N+](=O)[O-] 609964040 SFDRJCNHTGIYDO-SSEXGKCCSA-N 425.466 4.218 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cnc(-c2ccccc2)nc1 610335415 QVTJHBWWQJXPJO-UHFFFAOYSA-N 425.253 4.159 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 612624782 WHOUALSVJIMXQZ-QWRGUYRKSA-N 448.385 4.399 5 20 IIBD Cc1cc(-c2noc([C@@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)n2)ccc1Br 612869769 QIDKEJANUDYJBC-LLVKDONJSA-N 431.246 4.207 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@@H](CC2CC2)c2ccccc2)cc(Br)cc1[N+](=O)[O-] 619532681 AJRSRJIDADHEMG-KRWDZBQOSA-N 446.301 4.262 5 20 IIBD C[C@@H](NC(=O)N1CCO[C@@H](c2ccccc2Br)C1)c1cccc([N+](=O)[O-])c1 725863232 AEPJPTGGVXPJMI-FZKQIMNGSA-N 434.290 4.201 5 20 IIBD CSc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Br 725984502 ISAVJEZWOYECKI-SNVBAGLBSA-N 439.287 4.263 5 20 IIBD C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 727435054 MVJIMCAHGCJUFO-BBATYDOGSA-N 442.274 4.441 5 20 IIBD CN(C)CCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 730510879 MCLALBGUBKBSFZ-UHFFFAOYSA-N 426.517 4.168 5 20 IIBD Cc1ccc(NC(=O)Nc2cccc3c2CCN(Cn2nc(C)c([N+](=O)[O-])c2C)C3)cc1 731495837 LKZWMUZLOZSQCT-UHFFFAOYSA-N 434.500 4.376 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCC[C@@H](N3CCCCC3=O)C2)cc1[N+](=O)[O-] 732774306 QUDYPBYBEDCTML-GOSISDBHSA-N 433.574 4.350 5 20 IIBD CC(C)(C)c1ccc([C@@H](O)CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])cc1 734833992 VNUSIFSGFKANHQ-KRWDZBQOSA-N 428.457 4.034 5 20 IIBD O=C(COC(=O)c1cc2cc(F)ccc2o1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 735550371 HBZAMZSCTDNQOX-UHFFFAOYSA-N 426.278 4.294 5 20 IIBD COc1ccc(OC(F)F)c(COC(=O)c2ccc([N+](=O)[O-])cc2Br)c1 739569791 SWZVSZACDWBMKY-UHFFFAOYSA-N 432.173 4.324 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(Cl)c1 740783988 VHGBPXZGZMYCGH-UHFFFAOYSA-N 449.847 4.391 5 20 IIBD Cc1cc(C)cc(C[C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2I)c1 742011406 DCURTYMXNUJEKB-CYBMUJFWSA-N 438.265 4.177 5 20 IIBD O=C(NCc1ccco1)c1cccc(COC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 747126664 XDJLCSRWGGLADP-UHFFFAOYSA-N 448.353 4.494 5 20 IIBD C[C@@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)Nc1ccc(F)c(F)c1 747961000 BPJHKVYXWFQXTE-SNVBAGLBSA-N 433.392 4.181 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)NCc2ccc(Oc3cccc(F)c3)nc2)cc1[N+](=O)[O-] 749146752 WIDYSTUQMRMWSG-UHFFFAOYSA-N 426.360 4.068 5 20 IIBD Cc1c(CC(=O)Oc2ccc(OCc3nc(C(C)(C)C)no3)cc2)cccc1[N+](=O)[O-] 749150409 LQIXDRWJWXGTSE-UHFFFAOYSA-N 425.441 4.311 5 20 IIBD O=C(Nc1cc(C(F)(F)F)cnc1O)c1cc(Br)cc([N+](=O)[O-])c1Cl 749420639 CCIKBZUMMAEZKT-UHFFFAOYSA-N 440.559 4.382 5 20 IIBD Cc1c(C(=O)OCc2cccc(SC(=O)N(C)C)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 752545785 OVAAQIULHWLZJX-UHFFFAOYSA-N 433.442 4.251 5 20 IIBD Cc1cccc(-c2nnc(S)n2CCC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 752744012 CTPLVNXVNZSYOM-HNNXBMFYSA-N 425.514 4.026 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2cccc(SC(=O)N(C)C)c2)cc1[N+](=O)[O-] 753078635 KEZWTABIEGDVEH-UHFFFAOYSA-N 429.907 4.131 5 20 IIBD O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1cc(F)cc([N+](=O)[O-])c1Br 754635033 FSHOSYSNWYAATG-CYBMUJFWSA-N 440.244 4.034 5 20 IIBD CCOc1cc2c(cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)O[C@@H](C)C2 754636501 QTTNNJBYHYMITQ-VIFPVBQESA-N 439.237 4.471 5 20 IIBD C[C@H](C(=O)O[C@@H]1CCCN(C(=O)c2ccccc2Cl)C1)c1ccc([N+](=O)[O-])cc1F 755670157 IEWRCDJQVMSOPE-DZGCQCFKSA-N 434.851 4.339 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@H](C)CSc1ccc(F)cc1 756731338 XDCVDOHGTHGBFA-CHWSQXEVSA-N 436.461 4.041 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCCc2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-])c1ccccn1 759869231 BLVNGDFUXLTDKA-HNNXBMFYSA-N 435.440 4.044 5 20 IIBD Cc1c(I)cccc1C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1 761385905 WYLPJXYPRQNFSC-UHFFFAOYSA-N 438.177 4.006 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccc(-c3nc([C@@H]4CCCCS4)no3)cc2)c1 762388551 YZMZDBFIKLCQNT-KRWDZBQOSA-N 447.494 4.371 5 20 IIBD Cc1cc(C)cc(OCc2noc(COC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)n2)c1 762987035 BWKGRDJRZFXLSX-UHFFFAOYSA-N 443.431 4.334 5 20 IIBD Cc1nn(-c2ccccc2)c2ncc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc12 764581183 MZSZZNYZEHDETO-UHFFFAOYSA-N 427.464 4.442 5 20 IIBD CCOC(=O)Nc1ccc(Br)cc1NC(=O)c1cc(F)c([N+](=O)[O-])cc1F 765356913 SQMFZLXGSUOQRD-UHFFFAOYSA-N 444.188 4.456 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)OCc2nc3cc(C(F)(F)F)ccc3o2)cc1[N+](=O)[O-] 767287137 LQKOMUDKGHFDKO-UHFFFAOYSA-N 425.275 4.328 5 20 IIBD COc1cc(N2CCC(OC(=O)c3cnn(CC(C)C)c3C3CC3)CC2)ccc1[N+](=O)[O-] 768797471 PSFQQSACNONGOO-UHFFFAOYSA-N 442.516 4.159 5 20 IIBD Cc1ccc(C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1NC(=O)OC(C)(C)C 769624484 RVFQDHHIPZGKCS-UHFFFAOYSA-N 425.445 4.057 5 20 IIBD CN(C)C(=O)Nc1ccc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c(Cl)c1 772039828 REZWYSHJAWRUDF-UHFFFAOYSA-N 425.272 4.267 5 20 IIBD O=C(CCc1nc(-c2ccsc2)no1)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776133576 NTDMITQTBFJLEL-HXUWFJFHSA-N 436.449 4.367 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(CNC(=O)OC(C)(C)C)cc2)c1C 777649900 DROXMDZINQLBAT-UHFFFAOYSA-N 435.502 4.037 5 20 IIBD O=C(O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)c1ccccc1OCc1cscn1 778810162 LHSUWIBUOHVPAW-INIZCTEOSA-N 443.456 4.205 5 20 IIBD COc1cc(COC(=O)[C@@H]2SCCc3ccccc32)c([N+](=O)[O-])cc1OCC(F)F 780067445 UWOASGQKDQYMSO-LJQANCHMSA-N 439.436 4.321 5 20 IIBD NC(=O)c1ccc(SCC(=O)OCc2cccc(SC(F)(F)F)c2)c([N+](=O)[O-])c1 781220078 BJZWVKYEPIAUDN-UHFFFAOYSA-N 446.428 4.141 5 20 IIBD C[C@H](OC(=O)CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccccc1)c1cnccn1 782089905 LFKDOKBNYBIXKQ-AWEZNQCLSA-N 435.465 4.120 5 20 IIBD CCN(CC)C(=O)CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 782827539 ZOVIXZKKBZGIFE-UHFFFAOYSA-N 444.576 4.086 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 783104556 ABFQZHZHRROMMQ-UHFFFAOYSA-N 434.836 4.172 5 20 IIBD CCOc1cc(OS(=O)(=O)c2ccc(-c3csc(C)n3)s2)ccc1[N+](=O)[O-] 790924474 CHLWAAIAMPHKPB-UHFFFAOYSA-N 426.497 4.255 5 20 IIBD O=[N+]([O-])c1ccc(Br)c2c1CN(Cc1ccc(Br)cn1)CC2 792892619 QOZUFOGZKLOCED-UHFFFAOYSA-N 427.096 4.073 5 20 IIBD O=C(NC[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1)OCc1ccccc1 795607765 VVFAJBHPGBEFGF-INIZCTEOSA-N 431.876 4.027 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 796441985 FKPBWMJMWKPNQA-HXOBKFHXSA-N 442.947 4.173 5 20 IIBD O=C(N1CCC(CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1)C(F)(F)F 797436059 VKJXQBZPELEHIV-UHFFFAOYSA-N 426.370 4.009 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)c1Br 799330998 NSQRMESRQAPXQH-ZDUSSCGKSA-N 443.342 4.192 5 20 IIBD O=C(COC(=O)c1ccc(Oc2ccccc2)cn1)Nc1cc(Cl)ccc1[N+](=O)[O-] 799553173 BLZPASCUMHBKCI-UHFFFAOYSA-N 427.800 4.231 5 20 IIBD Cc1ccc(CNC(=O)C(=O)Nc2c(F)ccc([N+](=O)[O-])c2C)c(OCCC(C)C)c1 800614987 JKBXOPWCPLKSKW-UHFFFAOYSA-N 431.464 4.031 5 20 IIBD CCCCNC(=O)OC[C@H]1CCCCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 804229828 ZHGKKGOVXLPOPM-GOSISDBHSA-N 435.524 4.202 5 20 IIBD C[C@]1(C2CC2)NC(=O)N(c2cccc(CNc3nc4ccc([N+](=O)[O-])cc4s3)c2)C1=O 804700295 WYHYRNQZJKVIHA-OAQYLSRUSA-N 437.481 4.042 5 20 IIBD Cc1cc(S(=O)(=O)N[C@H](C)c2ccc(Oc3cccnc3)cc2)cc([N+](=O)[O-])c1F 808325683 SFOWDPLOOHMNHL-CQSZACIVSA-N 431.445 4.269 5 20 IIBD C[C@H](OC(=O)c1nc2ccccc2cc1Br)C(=O)Nc1ccccc1[N+](=O)[O-] 808702610 KDSYGDVZKXFVMR-NSHDSACASA-N 444.241 4.090 5 20 IIBD COc1ccccc1[C@@H]1CCN(S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 809393612 QYGAKTRHVMGRHV-LLVKDONJSA-N 431.297 4.088 5 20 IIBD Cc1nc2cccc(-c3noc(CN(C)c4cc(Br)ccc4[N+](=O)[O-])n3)c2[nH]1 809499345 UOIPDSJNYCLVOW-UHFFFAOYSA-N 443.261 4.228 5 20 IIBD Cn1cc(-c2nc([C@@H]3CCCCCN3C(=O)Nc3cccc([N+](=O)[O-])c3Cl)no2)cn1 809913063 UELWGIVHJZUCMA-HNNXBMFYSA-N 445.867 4.181 5 20 IIBD O=C(NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)c1cc(Cl)ccc1[N+](=O)[O-] 810743469 NOGBVSJBNLHEDB-UHFFFAOYSA-N 440.765 4.333 5 20 IIBD CO[C@@](C)(C(=O)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)C1CC1 812665961 WFQBYOZNUCTJAT-WIYYLYMNSA-N 432.860 4.286 5 20 IIBD C[C@@H](NCc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(N2CCCNC2=O)cc1 812799710 MEVSGPWCDFMLBG-CYBMUJFWSA-N 433.306 4.128 5 20 IIBD CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 812835230 NDQFNGQFZVFRRD-UHFFFAOYSA-N 446.312 4.231 5 20 IIBD O=C(O[C@@H](c1nc2ccccc2o1)C(F)(F)F)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 816064156 BEYWYZUOYNHMRD-INIZCTEOSA-N 432.314 4.382 5 20 IIBD COC(=O)CCc1cccc(Cl)c1OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 820700836 CJTGMCKLPRLONP-UHFFFAOYSA-N 427.240 4.025 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)c([N+](=O)[O-])c1 839696051 DWIZBKCABOZDPS-ZDUSSCGKSA-N 437.452 4.005 5 20 IIBD CCN(Cc1ccccc1)C(=O)[C@@H](C)OC(=O)Cn1c2ccccc2c(=O)c2ccccc21 841975915 WCFODTCBYQSVBR-LJQANCHMSA-N 442.515 4.135 5 20 IIBD O=C(OCc1cc(=O)oc2cc3c(cc12)CCC3)c1cc([N+](=O)[O-])ccc1N1CCCC1 846280770 QOPWKMUKVKTNIP-UHFFFAOYSA-N 434.448 4.147 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 912890493 BQKFHDAKELDJJU-UHFFFAOYSA-N 430.504 4.312 5 20 IIBD COc1ccc(-c2nc(COC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)co2)cc1 913223614 SGMBLEWMEAPLMT-UHFFFAOYSA-N 437.452 4.218 5 20 IIBD CCOc1ccc(N2C(=O)/C(=C\NCc3ccc([N+](=O)[O-])cc3)c3ccccc3C2=O)cc1 917604820 LRMOQYCZPZDNDS-KQWNVCNZSA-N 443.459 4.311 5 20 IIBD CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 918324467 FBLLJGWWLCAPDY-UHFFFAOYSA-N 437.456 4.378 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] 918672341 IFBKPOZHCFLNQL-AOOOYVTPSA-N 429.273 4.014 5 20 IIBD Cc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 919195733 NIHJSNNAFWQMKP-GFCCVEGCSA-N 426.347 4.028 5 20 IIBD CNc1ccc(C(=O)OCC(=O)N(CC(F)(F)F)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 1115820248 UKYOBRHXKWDJNW-UHFFFAOYSA-N 445.781 4.042 5 20 IIBD COc1ccc(-c2cc(N[C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)ccc2OC)cc1 1318374254 RHJXACBXTZCIRJ-JOCHJYFZSA-N 433.464 4.496 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1318556853 XMVJAHXJUYLFCQ-CQSZACIVSA-N 428.876 4.300 5 20 IIBD O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)N1Cc2ccc([N+](=O)[O-])cc2C1 1319236235 UOOZHVCULOPVSB-UHFFFAOYSA-N 449.429 4.387 5 20 IIBD Cc1nc2ccccn2c1-c1nnc(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 1323934057 JFSJZZAVCCAHME-UHFFFAOYSA-N 432.362 4.274 5 20 IIBD CN(Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@H]1CCCC[C@H]1S(C)(=O)=O 1324745666 DOJQTNSMWBFRBQ-QFBILLFUSA-N 426.922 4.296 5 20 IIBD CC(C)(C)OC(=O)N1CCC(CCc2nnc(COc3ccccc3[N+](=O)[O-])o2)CC1 1345740436 OLWMDYYAMQVEIY-UHFFFAOYSA-N 432.477 4.137 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)c1cccc(Cl)c1 1355034394 MBRRVUZUAWXTSF-OAHLLOKOSA-N 441.665 4.045 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3cccc(F)c3[N+](=O)[O-])CCC2)cc1)c1ccncc1 1787313206 WMLIOSNIDBJUNV-UHFFFAOYSA-N 434.427 4.190 5 20 IIBD O=C(/C=C/C1CCCCC1)Nc1ccc(C2(NC(=O)c3nc[nH]c3[N+](=O)[O-])CCC2)cc1 1790518391 GFPBCHYJAAVDSY-KPKJPENVSA-N 437.500 4.202 5 20 IIBD CC1(C)CCC(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1792476553 CQLGMRUILDZMHM-WKCHPHFGSA-N 441.572 4.382 5 20 IIBD CC1=CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c(F)ccc([N+](=O)[O-])c2C)C3)CC1 1797695789 WMAKXGZJCXGKDP-FJIDUMEYSA-N 429.492 4.041 5 20 IIBD CC(C)c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C3)cc1 1799711826 LTJRFAJTNPKRNB-WKCHPHFGSA-N 439.487 4.423 5 20 IIBD Cc1ccc([C@H](C)C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C3)cc1 1801778097 LKCSQRJFOCQLRQ-KQLYMOGASA-N 439.487 4.098 5 20 IIBD CC(C)[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C3)CC1 1801817561 XYAIHIWBCAWYHM-BOFTWBBESA-N 445.535 4.448 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@H]1C[C@H]1c1ccccc1 1804345133 WSJFAQNSVWYNAW-NWYKNIFASA-N 445.519 4.050 5 20 IIBD CC(C)/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1832904789 WVWYISTVBHJEAH-JTFUDZLHSA-N 439.556 4.440 5 20 IIBD COc1ccc2cc(CN(C)C(=O)COC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc2c1 18170366 PFBDSUXOEFODHY-UHFFFAOYSA-N 442.855 4.225 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1csc(-c2ccc(F)cc2)n1 19616539 DAGRMOYOYRFKKW-NSHDSACASA-N 445.428 4.050 5 20 IIBD Cc1cc(-n2c(C)cc(C(=O)O[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2C)no1 26573302 ZPIYNKVRVOSRRP-ZDUSSCGKSA-N 446.847 4.136 5 20 IIBD COc1cc([C@@H](C)NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)ccc1OC(C)C 26939933 UVORIHBNYOUWBX-QGZVFWFLSA-N 441.528 4.484 5 20 IIBD O=C(NCc1ccc(OCC(F)(F)F)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 27183930 GDUOHKRWGUIUKH-UHFFFAOYSA-N 437.418 4.069 5 20 IIBD CC(=O)c1ccc(Sc2nnc([C@@H](C)N(C)C)n2-c2ccc(F)cc2)c([N+](=O)[O-])c1 29001415 OGPQOVLOBJEMRM-GFCCVEGCSA-N 429.477 4.291 5 20 IIBD C[C@@H]1CCCN(Cc2ccc(CNc3ccc(C(=O)c4nccn4C)cc3[N+](=O)[O-])cc2)C1 64113306 WSARFPXPRGARFY-GOSISDBHSA-N 447.539 4.403 5 20 IIBD C[C@H](OC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccccc1[N+](=O)[O-] 72055669 GOPQFSPXVZGKMR-INIZCTEOSA-N 425.462 4.487 5 20 IIBD O=C(Nc1ccc2c(c1)Cc1ccccc1-2)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 105822374 ILCRANMIOUJPLL-INIZCTEOSA-N 431.423 4.297 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1cccnc1OC1CCCC1 106170662 HJYKSQDUWDSXIB-UHFFFAOYSA-N 427.504 4.188 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(SCc3cccnc3)cc2)cc1[N+](=O)[O-] 106905657 BOMMGEQMLFLLPX-UHFFFAOYSA-N 431.495 4.092 5 20 IIBD Cc1sc(NC(=O)CCc2nc(-c3ccccn3)no2)nc1-c1cccc([N+](=O)[O-])c1 195704114 NBFHVAXJRWSRRB-UHFFFAOYSA-N 436.453 4.043 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NC[C@@H](O)c1ccc(Cl)cc1Cl 301230900 FJWJXIKZWRUWFG-CQSZACIVSA-N 441.239 4.043 5 20 IIBD CCN(C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)[C@@H](C)c1cc2ccccc2o1 303013252 NFJZELQRGKUMBR-INIZCTEOSA-N 446.463 4.419 5 20 IIBD CN(CCCCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1I 303084594 AVDSWUKBLAEMDD-UHFFFAOYSA-N 438.265 4.294 5 20 IIBD Cc1c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)nnn1CCOc1ccc(F)cc1 410247981 ZUVKCOBSHLQDST-UHFFFAOYSA-N 441.444 4.180 5 20 IIBD COc1ccc([C@H](OC)[C@@H](C)NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 426221899 FUTAJOFEAAOZDS-KZULUSFZSA-N 441.406 4.198 5 20 IIBD CC(C)CCSc1ccc(C(=O)Nc2ccc3c(c2)N(C(N)=O)CC3)cc1[N+](=O)[O-] 428028900 WOEAHMSYEMHWJJ-UHFFFAOYSA-N 428.514 4.427 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NC[C@H](C)Oc3ccc(Cl)cc3)cc2)c(C)c1[N+](=O)[O-] 428262525 GJMDRPQDRVWAEB-AWEZNQCLSA-N 442.903 4.307 5 20 IIBD CC[C@H](C)[C@H](C)N(C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)C1CC1 430358093 NROYPVYTPLHPAF-JQWIXIFHSA-N 426.311 4.030 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H](Cc1cccc2ccccc12)C(=O)O 431534697 YBXTXBHWXJFSQS-KRWDZBQOSA-N 426.856 4.004 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1cccc(-c2noc(C3CC3)n2)c1 433935403 BMVGBZPTZGRFCD-UHFFFAOYSA-N 443.257 4.466 5 20 IIBD Cc1cccc([C@H]2CCCCN2C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)c1C 435812145 YPJXWYAGGISYCN-LJQANCHMSA-N 435.480 4.232 5 20 IIBD CCNc1ccc(C(=O)N[C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] 437342444 DXYQDPPJRUGQET-KSFYIVLOSA-N 427.501 4.082 5 20 IIBD COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 437820289 MABCNIQUZQKSFS-UHFFFAOYSA-N 431.514 4.193 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@H](c4nc(C(F)(F)F)cs4)C3)o2)cc1 441064591 PWYQXTYVAIJBKM-LBPRGKRZSA-N 439.419 4.500 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CC[C@H](n2ncc3ccccc32)C1 444287731 CPTPFMJGZYJLHH-KRWDZBQOSA-N 444.441 4.396 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3csc(-c4ccc5c(c4)OCO5)n3)n2)c1 445579384 NIFSGGWOPRNKIF-UHFFFAOYSA-N 438.421 4.096 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3ccc(SCc4nc(C)no4)cc3)n2)c1 445585228 RNZZKAWCXGJUQO-UHFFFAOYSA-N 439.453 4.228 5 20 IIBD CN(Cc1cccc(Br)c1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br 445717742 ICWUZSXCBGKFIH-UHFFFAOYSA-N 442.107 4.321 5 20 IIBD COc1cc(Cc2noc(-c3cccc(C)c3Br)n2)c([N+](=O)[O-])c(OC)c1 445823342 CZDQUANEBDVMRX-UHFFFAOYSA-N 434.246 4.324 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H]1CCOc2ccc(Br)cc21 445895488 GRKKBVIPZRAIAY-QGZVFWFLSA-N 434.290 4.060 5 20 IIBD CN(C)c1cccc([C@H]2CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1 446275847 JBWZONPKPRYGLW-LJQANCHMSA-N 432.318 4.330 5 20 IIBD O=C([C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 446422721 NJBVGDNSCRBFQY-IBGZPJMESA-N 448.306 4.091 5 20 IIBD O=C(Cc1csc(-c2cnccn2)n1)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] 446430337 CEMVBAACLJKYGF-UHFFFAOYSA-N 447.476 4.269 5 20 IIBD Cc1ccc([C@H]2OCCC[C@H]2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 447027848 FULJHLFZXLEJIT-SJLPKXTDSA-N 444.431 4.121 5 20 IIBD O=C(N[C@H]1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1)c1ccc2ccccc2c1 447186788 YWRJXDQBKHLRLE-FQEVSTJZSA-N 443.463 4.197 5 20 IIBD CC1(C)CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)[C@@H]1C1CC1 460977921 HODOXCROLHSDID-GOSISDBHSA-N 425.451 4.477 5 20 IIBD O=C(c1ccc(Oc2ccncc2)c(Cl)c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 461410182 ZMFLSSRKNXXZLB-UHFFFAOYSA-N 425.828 4.470 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl 462774796 PAKXQMNPAQYQDN-GDBMZVCRSA-N 441.311 4.026 5 20 IIBD Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 465035260 SNCLGRYSJWALEQ-UHFFFAOYSA-N 447.447 4.108 5 20 IIBD Cn1c(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])nc2cccc(Cl)c21 466300756 UUOWWZZGNHQYRS-UHFFFAOYSA-N 428.754 4.328 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1 466542058 LSSKIBXDKYXKDH-AWEZNQCLSA-N 447.257 4.161 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)c(C)s1 466625681 MGXXZHRNXVHSSO-UHFFFAOYSA-N 438.465 4.172 5 20 IIBD CC[C@@H]1Oc2cc([C@H](C)Nc3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)ccc2NC1=O 467010139 BSTZYDSNVFSLSI-XOBRGWDASA-N 438.484 4.113 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)cc1[N+](=O)[O-] 467334163 MWRMXHQRLRLHSU-CQSZACIVSA-N 430.507 4.289 5 20 IIBD CCCOc1cc(NC(=O)[C@H]2[C@H](C(F)(F)F)[C@H]3CC[C@H]2O3)c([N+](=O)[O-])cc1OCCC 467853061 PKTZTYKEFAEZCN-DTTOXWODSA-N 446.422 4.467 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1CCC[C@H](OCCO)C1 467926557 IRVDSCFOLOTOAF-INIZCTEOSA-N 436.917 4.013 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 469158208 ZMIBDSZIQIODQA-CYBMUJFWSA-N 442.686 4.224 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@@H](C)c1sc(-c2ccccc2)nc1C 469162266 XNIUSINFEXGMIW-AWEZNQCLSA-N 447.538 4.417 5 20 IIBD COc1ccc(CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C(C)(C)C)c(OC)c1 472475291 GKZZYGKENGKNGT-UHFFFAOYSA-N 438.484 4.239 5 20 IIBD C[C@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1noc(-c2ccccc2)n1 472673985 ZMRXHXKQYNTVCL-LBPRGKRZSA-N 449.389 4.343 5 20 IIBD COc1c(C(=O)N[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)cccc1[N+](=O)[O-] 476397095 LJHKVENAIXRWMP-IBGZPJMESA-N 448.401 4.439 5 20 IIBD CC(C)N(C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 479080688 WUHSLDFUSPDKGA-UHFFFAOYSA-N 430.404 4.072 5 20 IIBD O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1ccc([N+](=O)[O-])cc1Br 479286282 VCIVULVIQKFKEI-JTQLQIEISA-N 442.672 4.159 5 20 IIBD CCOC(=O)[C@H](NCc1cccc([N+](=O)[O-])c1C)c1ccc(Br)cc1F 479485914 WEOAJSFMRRPJFC-QGZVFWFLSA-N 425.254 4.199 5 20 IIBD Cc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 481592313 BFKZTKOBXSFDKP-HZPDHXFCSA-N 438.528 4.340 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O 482592019 MGEMVQYKBMZWSY-IBGZPJMESA-N 445.516 4.013 5 20 IIBD Cc1c([C@@H](C)NCc2cccnc2Oc2cccc(S(C)(=O)=O)c2)cccc1[N+](=O)[O-] 483733084 RTYQWBZLFNCVIQ-MRXNPFEDSA-N 441.509 4.345 5 20 IIBD CSc1cccc(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c1[N+](=O)[O-] 485522115 SKECFSIMTOIZNL-AWEZNQCLSA-N 440.308 4.159 5 20 IIBD Cc1c(Br)cccc1-c1noc(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)n1 485861677 JJTAPZAARSKOBB-UHFFFAOYSA-N 432.230 4.078 5 20 IIBD COC(=O)c1cc(NC(=O)c2cccc(OCc3csc(C)n3)c2)c(C)c([N+](=O)[O-])c1 485951552 OASIVDXDEHAKDY-UHFFFAOYSA-N 441.465 4.286 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(Br)ccc2Cl)c(C)c([N+](=O)[O-])c1 485978568 KKMZPOFXQCDHLZ-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD COc1cc(NC(=O)c2ccc([N+](=O)[O-])s2)c(Br)cc1Br 486138467 PEEXWFAGFHCKHB-UHFFFAOYSA-N 436.081 4.442 5 20 IIBD O=C(NCc1ccc(Oc2cccnc2)c(F)c1)c1cc([N+](=O)[O-])ccc1OC(F)F 487703839 OIMXGVBENZLJKQ-UHFFFAOYSA-N 433.342 4.453 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)CCSCc2nc(O)c3ccccc3n2)cc1[N+](=O)[O-] 488031270 KQHUFBUKIJYATE-CQSZACIVSA-N 426.498 4.053 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1CSc1nnc(N2CCCCC2)n1C[C@H]1CCCO1 488769170 YLVOIDSNSXRZNT-CQSZACIVSA-N 437.953 4.301 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc(-n2ccnn2)cc1 489106422 VTDNKLSVQVSVJY-OAHLLOKOSA-N 425.514 4.415 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 489965742 NOCQJRXPJIVYPM-HOTGVXAUSA-N 437.496 4.279 5 20 IIBD O=C(NCc1nccn1CCCc1ccccc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 491323691 PWWLTSCKSYLMII-UHFFFAOYSA-N 433.512 4.298 5 20 IIBD COc1c(S(=O)(=O)Nc2cc(C)ccc2C)cc(Br)c(C)c1[N+](=O)[O-] 491597567 WTUMIIOBLKXVFA-UHFFFAOYSA-N 429.292 4.092 5 20 IIBD NC(=O)NCc1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1 499235807 SEQLLCINSLOQLN-UHFFFAOYSA-N 445.273 4.398 5 20 IIBD C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)c1ccccc1OC(F)F 502100111 VNLCIDXQBGVEME-CYBMUJFWSA-N 441.456 4.154 5 20 IIBD O=C(Nc1ccc(-c2nc3c(F)cccc3[nH]2)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 502512072 NMTOQEYUFVSXKT-UHFFFAOYSA-N 434.383 4.301 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 503561619 DSKLVPNWQOZADS-HSALFYBXSA-N 449.429 4.328 5 20 IIBD COc1ccc(S(=O)(=O)N[C@H](C)c2sc(-c3ccccc3)nc2C)c([N+](=O)[O-])c1 507280041 NPBZCEQSTSQQPQ-CYBMUJFWSA-N 433.511 4.075 5 20 IIBD O=C1[C@@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 507955855 NAPIBQDMYUZPFO-NRFANRHFSA-N 435.455 4.417 5 20 IIBD COc1cc(/C=C2/CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)ccc1OCC(F)(F)F 508589017 QKFCCFOQKMIGCM-JYRVWZFOSA-N 447.369 4.199 5 20 IIBD CCCCCOc1cc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)ccc1OC 509821911 VVYDFXMBTFESDE-UHFFFAOYSA-N 447.557 4.192 5 20 IIBD COC(=O)c1ccc(N2CCCC2)c(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 510066409 YDPPMFXOFBCXDW-UHFFFAOYSA-N 440.500 4.424 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2ccc(NC(=O)NC3CC3)cc2)cc1[N+](=O)[O-] 510586220 BATQDHHBBLSERJ-UHFFFAOYSA-N 433.262 4.202 5 20 IIBD CC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)CC2)cc1 512026871 RNZWFZNOHSIORE-UHFFFAOYSA-N 427.476 4.250 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](CCO)c1ccc(Cl)c(Cl)c1 512163692 GXCUIOWETOBUEP-QGZVFWFLSA-N 426.300 4.252 5 20 IIBD CCOc1cc(NC(=O)c2csc(-c3ncccc3F)n2)c([N+](=O)[O-])cc1OCC 512929565 CTGIKQCRZOIUEG-UHFFFAOYSA-N 432.433 4.302 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 513354507 UNJYNTLMBFLSKA-UHFFFAOYSA-N 429.274 4.062 5 20 IIBD Cc1c(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2C(F)(F)F)cccc1[N+](=O)[O-] 514573904 FYHCJEAWALDGBP-KRWDZBQOSA-N 437.374 4.292 5 20 IIBD CC(C)CNC(=O)c1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 515642379 FLDHZYUWUTUSSB-UHFFFAOYSA-N 438.528 4.469 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)NC(c1ccccc1)c1ccccc1 515912909 IYIHBYKBDVCTEW-UHFFFAOYSA-N 441.390 4.041 5 20 IIBD COc1ccccc1OCC(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)c1 515926645 XZWOXZCEWWCBGM-UHFFFAOYSA-N 439.399 4.012 5 20 IIBD COc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)cc2)c1 517178652 BOJIVQIJYRVJEN-OAHLLOKOSA-N 435.436 4.212 5 20 IIBD CN(c1ccccc1)c1ccc(CNC2CCN(C(=O)c3ccco3)CC2)cc1[N+](=O)[O-] 518269907 VJJJQMVLZGFXOL-UHFFFAOYSA-N 434.496 4.350 5 20 IIBD COc1cc(OCC(=O)N(Cc2ccc(Br)cc2)C(C)C)ccc1[N+](=O)[O-] 519019051 OPSFHIQQHOOBQD-UHFFFAOYSA-N 437.290 4.182 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)C(=O)NC(C)(C)C 519188693 GCAJNSMNLZVRFP-GFCCVEGCSA-N 435.933 4.432 5 20 IIBD O=C(NCc1cc(F)ccc1F)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 520520903 ZPFGYIGPBVTNDQ-UHFFFAOYSA-N 443.372 4.425 5 20 IIBD Cc1ccc(-c2nnc(SCCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)o2)c(C)c1 522683992 JEJUJCYUDYBUNU-UHFFFAOYSA-N 426.454 4.352 5 20 IIBD CCOC(=O)c1ccnc(Nc2cccc(C[S@](=O)C3CCCCC3)c2)c1[N+](=O)[O-] 523114419 GCOOTCBOPJWABY-PMERELPUSA-N 431.514 4.492 5 20 IIBD COc1ccc(CC(=O)NCc2ccc(CN3CCc4ccccc43)cc2)cc1[N+](=O)[O-] 524323185 RSOKHWXLPNFEBU-UHFFFAOYSA-N 431.492 4.025 5 20 IIBD O=C(Nc1cc(Cl)ccc1O)C1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 534506101 OKMQEEDBEUAEIE-UHFFFAOYSA-N 426.860 4.357 5 20 IIBD O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CCCSc2ccccc21 535736551 VXFRWOOMHBCFSX-UHFFFAOYSA-N 440.262 4.342 5 20 IIBD Cc1nn(CCC(=O)NCC2(c3ccc(Cl)cc3Cl)CCC2)c(C)c1[N+](=O)[O-] 535804013 LAGFMWHTJGMSQQ-UHFFFAOYSA-N 425.316 4.343 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NC[C@@H]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] 536148363 CBQFDLDPQOOYAL-LSDHHAIUSA-N 428.510 4.093 5 20 IIBD O=C(Nc1ccnc(OCC(F)(F)C(F)F)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 537316381 XMEMSBXCIOLHTG-UHFFFAOYSA-N 442.369 4.122 5 20 IIBD CCN(CCC1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1)CC(C)C 538005245 XUVKHTWZEMREMP-UHFFFAOYSA-N 430.593 4.415 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(Cc2ccccn2)CC1 538583950 OALPESZQTZZSMB-UHFFFAOYSA-N 428.558 4.276 5 20 IIBD O=C(NCc1ccc(Sc2ccc(F)cc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 540284951 AAMNUFHERVTBTL-UHFFFAOYSA-N 425.441 4.140 5 20 IIBD CC[C@H](N[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1c(C)noc1C 541638914 ZXRWPIFTFDKAAL-LRDDRELGSA-N 429.502 4.391 5 20 IIBD C[C@@H]1CCCCN1C[C@H]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 544223925 VWUSYWJTAMGORS-HZPDHXFCSA-N 425.982 4.453 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC(Oc2cccc(Br)c2)CC1 544760384 AGGOUBWQMRVPHF-UHFFFAOYSA-N 448.317 4.148 5 20 IIBD COCCOc1ccc(Cl)cc1-c1noc(Cn2ccc3cc([N+](=O)[O-])ccc32)n1 546465840 KWXAXNFWMLOIAQ-UHFFFAOYSA-N 428.832 4.326 5 20 IIBD COc1ccc(Cc2noc(-c3ccc([N+](=O)[O-])s3)n2)c(Br)c1OC 547073215 COPYSDQFMREIAD-UHFFFAOYSA-N 426.248 4.077 5 20 IIBD Cc1ccc(CN(Cc2cccs2)C(=O)c2c[nH]nc2[N+](=O)[O-])c(Br)c1 549370676 ACWNRXQBHCMRTN-UHFFFAOYSA-N 435.303 4.293 5 20 IIBD Cc1c(C(=O)N(CCc2ccc(Cl)cc2)C[C@H](O)C(F)(F)F)cccc1[N+](=O)[O-] 555104584 IRLCNNQSBQMFOY-KRWDZBQOSA-N 430.810 4.165 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCCN(C(=O)Nc3ccc(Cl)cc3)CC2)c1 558867471 IXINWJVHKAJZRA-UHFFFAOYSA-N 446.891 4.027 5 20 IIBD CCc1cccc2c1OCC[C@H]2NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 560177038 DWTNVDAEQCXZDP-GOSISDBHSA-N 425.485 4.033 5 20 IIBD CN(CC(=O)NC(c1ccccc1)c1ccccc1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 561566988 WFSIZTDPZZYYTB-UHFFFAOYSA-N 442.475 4.054 5 20 IIBD O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)N1CCOc2ccc([N+](=O)[O-])cc2C1 564420747 ARSBXKLIWIMYAL-INIZCTEOSA-N 431.317 4.081 5 20 IIBD CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 568703974 DFRZKANQUUGMOC-LJQANCHMSA-N 441.454 4.039 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NCc2ccccc2[N+](=O)[O-])c1 570433476 QOENFIZMWQMWIL-UHFFFAOYSA-N 441.509 4.431 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Cl)c(OC)cc1Br 570442913 OIAFYWNBHCQOSV-UHFFFAOYSA-N 449.710 4.383 5 20 IIBD O=C(N[C@H](c1c[nH]c2ccccc12)C(F)(F)F)N1CCOc2ccc([N+](=O)[O-])cc2C1 573610380 KVFIAKZYTDWZOA-GOSISDBHSA-N 434.374 4.284 5 20 IIBD O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC(Nc2ccc(F)cc2)CC1 575227395 CZPWGXKTSLTPSS-UHFFFAOYSA-N 425.464 4.044 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCC[C@@H](c4nnc(O)o4)C3)cc2[N+](=O)[O-])cc1 579527105 CZICXLBIBQYSNR-OAHLLOKOSA-N 440.481 4.163 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCc4ccccc4CC3)n2C[C@H]2CCCCO2)c1 581917841 AQXLSLZPPHHFNK-JOCHJYFZSA-N 433.512 4.028 5 20 IIBD CN(C(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccc([N+](=O)[O-])nc1 583286329 LJRLJJIYJNCHTI-UHFFFAOYSA-N 448.523 4.099 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1Cl 584691098 QCSIOAFHHUAQKG-UHFFFAOYSA-N 429.904 4.144 5 20 IIBD CCc1ccc([C@@H]2CCCN(C(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)C2)cc1 586833913 WPOLXJJYJATRQN-LJQANCHMSA-N 437.496 4.252 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCCc2nc(C)cs2)c([N+](=O)[O-])c1 603627506 IXAOMTOMXMIZFG-UHFFFAOYSA-N 425.466 4.032 5 20 IIBD C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 603966918 MGPXXJDUZBIXJY-SGTLLEGYSA-N 436.295 4.384 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 604107513 DTDWVMFSBAIJDB-CYBMUJFWSA-N 448.932 4.001 5 20 IIBD COc1ccc([C@@H]2CCCCCN2C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 604163892 FWLRNNLEDUMLHH-IBGZPJMESA-N 431.876 4.339 5 20 IIBD COc1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c2ccc(F)cc2)cc1 608940366 YWUMLQUIRXAPDH-NRFANRHFSA-N 438.411 4.033 5 20 IIBD CNc1ccc(C(=O)N[C@@H](Cc2ccc(OC)c(OC)c2)c2ccccc2)cc1[N+](=O)[O-] 608968881 XQGKSHGWYAYOKZ-FQEVSTJZSA-N 435.480 4.368 5 20 IIBD Cc1cccc(CN(Cc2ccccn2)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1 609154111 XKCMWLBSVHHRTJ-UHFFFAOYSA-N 427.464 4.327 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(Cc1ccccc1Cl)C1CCCC1 609175507 HSNSXSWGHJBZPV-OAHLLOKOSA-N 429.904 4.338 5 20 IIBD Cc1cc(C)nc(Sc2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)n1 609218718 JNGBJCUXJHTRRX-UHFFFAOYSA-N 430.511 4.262 5 20 IIBD O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 609997420 OVWYRYILPYWHAG-LJQANCHMSA-N 439.487 4.072 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)cn2)cc1 610103670 SUZSRKQWQZMZIS-UHFFFAOYSA-N 448.479 4.168 5 20 IIBD Cc1ccc(Oc2ccc(Nc3ccc(C(=O)c4nccn4C)cc3[N+](=O)[O-])cc2)nn1 610281415 MTGDFDBAWLUQOD-UHFFFAOYSA-N 430.424 4.194 5 20 IIBD COc1ccc(Br)c(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c1 610893288 OQPAGZTVUCOYRU-UHFFFAOYSA-N 431.189 4.149 5 20 IIBD Cc1ccc(CN(C(=O)CSc2nc3cc4ccccc4cc3c(=O)n2C)C2CC2)o1 613972945 MXMRBPIAXXAIBH-UHFFFAOYSA-N 433.533 4.271 5 20 IIBD O=C(O)c1ccc(OCCNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cc1 617736420 SHMOPPZGQMMINR-UHFFFAOYSA-N 430.482 4.137 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(Cl)c1SCC(F)F 619467370 CUFPUEJVASHCFX-UHFFFAOYSA-N 438.861 4.415 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1 727220183 OOBHWCGVAPYJHF-LLVKDONJSA-N 427.240 4.159 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 729053464 ILKWWPNDNSEAQQ-GOSISDBHSA-N 434.537 4.162 5 20 IIBD COc1ccccc1C/C(C)=C\C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 730348311 XQSNELYFVJUXDQ-FZDNWWAKSA-N 432.860 4.316 5 20 IIBD COC(=O)NCCC(=O)Nc1cc([N+](=O)[O-])ccc1Nc1cccc(C(F)(F)F)c1 730741425 VDBDYURPUYSYIW-UHFFFAOYSA-N 426.351 4.042 5 20 IIBD O=C(NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1cccc2ccccc12 730918404 MDOSDXDHUWLVLX-DLBZAZTESA-N 430.869 4.010 5 20 IIBD CC(C)(C)OC(=O)NCC1(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCC1 732130097 BXGCPVHRIQBFMV-UHFFFAOYSA-N 446.529 4.286 5 20 IIBD CCN1CCCC[C@@H]1CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 732137400 GKUFNCOGQJYRSS-MRXNPFEDSA-N 444.919 4.105 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCCCC1 732230383 HLHNDTQIDHRMQH-LJQANCHMSA-N 435.521 4.025 5 20 IIBD O=C(NS(=O)(=O)c1cc([N+](=O)[O-])cs1)c1sc2cc(Cl)ccc2c1Cl 732619504 YNMZZROJHYCFEU-UHFFFAOYSA-N 437.307 4.297 5 20 IIBD COc1ccccc1CC(C)(C)C(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 733051745 NZMBBXOFDFBOJL-UHFFFAOYSA-N 427.501 4.027 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 733146769 SYXLWYPZZJAAGL-UHFFFAOYSA-N 433.392 4.104 5 20 IIBD CC(C)(C)OC(=O)NC1CCC(NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 740440942 RLKUETYGANZZHS-UHFFFAOYSA-N 444.435 4.154 5 20 IIBD CN1C(=O)CC[C@H](COC(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc(Cl)c1 740597564 MFLYIVFWCIIBIH-VFNWGFHPSA-N 448.928 4.493 5 20 IIBD COc1ccc(C(=O)OC[C@H]2CCC(=O)N(C)[C@H]2c2cccc(Cl)c2)cc1[N+](=O)[O-] 740606213 UKQUPBSGSLWRMD-QRWLVFNGSA-N 432.860 4.023 5 20 IIBD CCN1CCCC[C@@H]1C(=O)O[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 741147412 IRQMBGAEXUSZIK-TZIWHRDSSA-N 425.485 4.001 5 20 IIBD CCOC(=O)c1c(NC(=O)Cn2cc([N+](=O)[O-])nc2C)sc(C)c1-c1ccc(C)cc1 743618514 GBPSGLVZSNOHQS-UHFFFAOYSA-N 442.497 4.260 5 20 IIBD COc1ccc(OCCOC(=O)c2sc(Cc3ccccc3)nc2C)c([N+](=O)[O-])c1 744726651 UEXYPDTUWMQXJT-UHFFFAOYSA-N 428.466 4.195 5 20 IIBD CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)OCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 745171804 MLUDVYHRPMSKGN-UHFFFAOYSA-N 447.875 4.053 5 20 IIBD Cc1ccc(C)c(NC(=O)Cc2nc(COC(=O)Cc3cccc([N+](=O)[O-])c3)cs2)c1 745334629 XEQIAXLMPHTJEK-UHFFFAOYSA-N 439.493 4.135 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 748010416 PPYQTZTYPHMNRO-UHFFFAOYSA-N 429.410 4.382 5 20 IIBD O=[N+]([O-])c1cccc([C@@H](O)CSc2nnc(-c3cccnc3)n2Cc2ccccc2)c1 749642579 XRXRLRZTVYWDIW-FQEVSTJZSA-N 433.493 4.122 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 750845989 AWANVMLYSDAAPH-INIZCTEOSA-N 438.259 4.153 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CCN1Cc1ccccc1 750876396 LHUYHAZHGMXBJM-CTNGQTDRSA-N 436.556 4.368 5 20 IIBD C[C@H](C[C@@H](O)c1ccccc1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 750906142 WRJJESHLRFGNME-MEBBXXQBSA-N 427.682 4.253 5 20 IIBD CSc1cccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])c(Br)cc2F)c1 751692179 MJTOJTSMAOELNC-UHFFFAOYSA-N 443.250 4.014 5 20 IIBD Cc1cc(N(C)C)cc(C)c1NC(=O)c1ccc(I)c([N+](=O)[O-])c1 752860403 XKAOJDUZHGKPHC-UHFFFAOYSA-N 439.253 4.135 5 20 IIBD C/C(=C/C(=O)O[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1OC(F)F 753536551 QPIBWVLSTBGILQ-UCQJPZFISA-N 438.358 4.309 5 20 IIBD CC(C)(C)OC(=O)N1CCC(n2cc(Nc3ncnc4ccc([N+](=O)[O-])cc34)cn2)CC1 754083213 UQFGZSYGPCUEPW-UHFFFAOYSA-N 439.476 4.050 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c1 754823588 MURYQJUYJUEHFJ-UHFFFAOYSA-N 439.921 4.148 5 20 IIBD Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c(Br)c1 754973356 UEFAUKMEENSKBE-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD Cc1nc(-c2cccc(NC(=O)COC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)c2)cs1 756766951 FEOPFINCWRDMRU-UHFFFAOYSA-N 436.449 4.304 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3cc4nc(C)ccc4o3)CC2)ccc1[N+](=O)[O-] 759382193 UXYLMPOBOVBSSM-UHFFFAOYSA-N 425.441 4.269 5 20 IIBD O=C(c1ccccc1C(F)(F)F)N1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 768545196 ZWNPCBBVFWZOSY-UHFFFAOYSA-N 427.810 4.225 5 20 IIBD Cc1nc(NCC(=O)NCCc2ccc([N+](=O)[O-])cc2)c2cc(-c3ccccc3)sc2n1 770882796 QBVDJJLTOWQRIN-UHFFFAOYSA-N 447.520 4.346 5 20 IIBD C[C@@H](Cc1ccncc1)Nc1ccc([N+](=O)[O-])c(N[C@H](C)Cc2ccncc2)c1[N+](=O)[O-] 771163060 KCFCADLATWDULN-JKSUJKDBSA-N 436.472 4.379 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Oc2cc(F)cc([N+](=O)[O-])c2)cc1[N+](=O)[O-])c1ccccn1 771486802 PKDGYKKYNJMJBK-GFCCVEGCSA-N 426.360 4.429 5 20 IIBD Cc1noc(C)c1[C@@H](C)C(=O)O[C@H](c1ccc(Br)cc1)C(C)(C)[N+](=O)[O-] 774367180 PYYGHBACZFKVOU-QLJPJBMISA-N 425.279 4.497 5 20 IIBD Cc1csc(Sc2ccc(C(=O)O[C@H]3CCO[C@@]4(CCOC4)C3)cc2[N+](=O)[O-])n1 774944321 BZZMWFHCKOYDTE-LIRRHRJNSA-N 436.511 4.006 5 20 IIBD C[C@@H]1C[C@H](C(=O)O[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)CCO1 776420343 WUGBRFQVXNOWKF-MUKKUYKPSA-N 432.860 4.286 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)OCC)C1 776997751 CGBMTXBGYOPXEZ-JKSUJKDBSA-N 437.562 4.474 5 20 IIBD CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1Cl 777234462 XKVAPBNBZIDWAD-BYICEURKSA-N 427.888 4.156 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC=C(c2c(C)[nH]c3ccccc23)CC1 777974813 CXIODYPIUVRSDH-UHFFFAOYSA-N 429.473 4.310 5 20 IIBD O=C(Nc1nc2ccccc2n1CCc1ccccn1)C(F)(F)c1ccc([N+](=O)[O-])cc1 778025269 VNSBQPKKMMXPDG-UHFFFAOYSA-N 437.406 4.313 5 20 IIBD CCN(C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H](C)c1ccc(F)cc1 778889879 DGDVRGMHXKBSSL-LBPRGKRZSA-N 440.374 4.102 5 20 IIBD Cn1cc(-c2nc([C@H]3CCCCCN3C(=O)Nc3ccc([N+](=O)[O-])c(Cl)c3)no2)cn1 780547828 OOUQUDWVXMUUJX-MRXNPFEDSA-N 445.867 4.181 5 20 IIBD CSc1cccc(NC(=O)[C@H](C)OC(=O)c2cccc([N+](=O)[O-])c2Br)c1 781676761 XYWXAVQDYHVMSD-JTQLQIEISA-N 439.287 4.263 5 20 IIBD O=C(C[C@H]1CCCCCN1C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 782003175 XTRXINWUNNCFBZ-LJQANCHMSA-N 439.468 4.480 5 20 IIBD O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1cccc([N+](=O)[O-])c1Br 782118570 ZITBBDAIKDJZOP-UHFFFAOYSA-N 440.681 4.100 5 20 IIBD CC(C)(CNC(=O)OC(C)(C)C)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 783657843 ZKGBPKWZLZTDAY-UHFFFAOYSA-N 443.500 4.207 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)c1noc(-c2ccccc2)n1 784049024 SCIIQYKIQOJKPZ-SECBINFHSA-N 436.193 4.464 5 20 IIBD C[C@@H](OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)c1ccccc1Br 789079362 PWXHKCWIYOESME-LLVKDONJSA-N 431.242 4.196 5 20 IIBD CCOc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c([N+](=O)[O-])cc1OCC 790621379 PGCRFCALNSOGDM-UHFFFAOYSA-N 444.444 4.153 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Br)c(Cl)c1F 792182344 AYEUWVSNQXWNKS-UHFFFAOYSA-N 433.573 4.415 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)CC1 792332285 VRVAIUFHTNVCGJ-UHFFFAOYSA-N 430.505 4.349 5 20 IIBD CC(C)c1[nH]nc(C(=O)OCc2csc(COc3ccc(Cl)cc3)n2)c1[N+](=O)[O-] 796258905 WLLUGJZZJKDVDE-UHFFFAOYSA-N 436.877 4.487 5 20 IIBD C[C@@H](OC(=O)C(C)(C)C1CCOCC1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 796439703 WTKDQZHOXWWCEA-CYBMUJFWSA-N 447.513 4.041 5 20 IIBD Cc1cc(OCC(=O)N2CCC[C@@H]2c2c(C)nn(CC(C)C)c2Cl)ccc1[N+](=O)[O-] 797633594 CIVJKYJBPGJRGS-GOSISDBHSA-N 434.924 4.460 5 20 IIBD Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 798083735 FMMLXIURMAATRR-UHFFFAOYSA-N 439.241 4.151 5 20 IIBD CS(=O)(=O)C1(COC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CCC1 799699555 UNNZFTPWBVUZMQ-UHFFFAOYSA-N 427.544 4.001 5 20 IIBD Cc1cc(Cl)nc(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 800063171 DJZWWAJRFATQMU-AWEZNQCLSA-N 425.876 4.450 5 20 IIBD CCOc1ccc(C(=O)O[C@@H](C)c2ccc(SCC(=O)N(C)C)cc2)cc1[N+](=O)[O-] 809073055 ARGQBNNQRGEGEJ-AWEZNQCLSA-N 432.498 4.092 5 20 IIBD C[C@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1ccc(N2CCCCC2=O)cc1 811006692 RDJHPBZJOSZCBK-ZDUSSCGKSA-N 433.867 4.324 5 20 IIBD O=c1c2ccccc2nc(SC[C@@H](O)c2ccc(F)cc2)n1-c1ccc([N+](=O)[O-])cc1 819958172 PGPGMNLHTKOXIZ-HXUWFJFHSA-N 437.452 4.259 5 20 IIBD CC(=O)Nc1cccc(NC(=S)/C(=C(/O)c2cccc([N+](=O)[O-])c2)[n+]2ccc(C)cc2)c1 913141283 LMJAEWOYZCEEFU-UHFFFAOYSA-O 449.512 4.472 5 20 IIBD CC(C)[C@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)Nc1ccccc1F 913223234 FILFSQPOTFCIDL-NRFANRHFSA-N 443.475 4.157 5 20 IIBD Cc1csc(CCNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 914608266 RKPJNKAMPUCIRF-UHFFFAOYSA-N 444.900 4.238 5 20 IIBD COc1ccc(CSCC(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)cc1[N+](=O)[O-] 914915920 HSVYEDORXNZJMQ-UHFFFAOYSA-N 443.477 4.303 5 20 IIBD Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCCO4)cc12 915143021 CHDGIRAFAAZMHJ-UHFFFAOYSA-N 445.435 4.051 5 20 IIBD CCN(CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccsc1 917121912 DHNYZLXRFULOBS-OAQYLSRUSA-N 430.574 4.460 5 20 IIBD C[C@H](OC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 917257871 JRJLASGIIVLRJU-LMOYCYGVSA-N 446.422 4.022 5 20 IIBD CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)CCO1 918602721 GYGQAJSSBAEDRO-UHFFFAOYSA-N 437.540 4.305 5 20 IIBD COc1ccc2cc(CN(C)C(=O)[C@H](C)OC(=O)c3cc([N+](=O)[O-])ccc3F)ccc2c1 919251001 IUMMAAARHHNJDJ-AWEZNQCLSA-N 440.427 4.100 5 20 IIBD COc1cccc([C@H](C)C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 920560369 GTMFTENGVWDVAC-RYUDHWBXSA-N 440.374 4.296 5 20 IIBD Cc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cs1 1115863473 CKQYQEQONFIBKC-UHFFFAOYSA-N 435.914 4.432 5 20 IIBD CN(C(=O)CN1Cc2ccc([N+](=O)[O-])cc2C1)[C@@]1(c2ccccc2Cl)CCCCC1=O 1116331071 OGYLFNQXKSCFES-HSZRJFAPSA-N 441.915 4.061 5 20 IIBD Cc1csc([C@@](O)(Cc2nc(-c3cc(C)c([N+](=O)[O-])cc3C)no2)C(F)(F)F)n1 1325488269 BQFGONUVGUBLEP-INIZCTEOSA-N 428.392 4.019 5 20 IIBD O=C(NCCc1nnc(COc2ccccc2-c2ccccc2)o1)c1ccc([N+](=O)[O-])cc1 1328126866 XFGNSNSXVKCHAC-UHFFFAOYSA-N 444.447 4.196 5 20 IIBD COc1ccc(Cc2nc([C@@H](NC(=O)OC(C)(C)C)c3ccccc3)no2)cc1[N+](=O)[O-] 1328265203 CXJJKRQYPPNGIH-IBGZPJMESA-N 440.456 4.191 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H]1c1nc(C23CC4CC(CC(C4)C2)C3)no1 1350671998 CIEZQMVGOXPNOP-BPQCLDNESA-N 428.514 4.484 5 20 IIBD O=C(CCCn1cccc1)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1 1785752136 ZNCYXMXZWHSCDC-UHFFFAOYSA-N 436.468 4.217 5 20 IIBD CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 1814844703 MCWRMZVKEBZESY-MRXNPFEDSA-N 447.923 4.252 5 20 IIBD CC/C=C(\C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3c(F)ccc([N+](=O)[O-])c3C)sc2C1 1823698995 GQTJSLJCASLPNX-HQIZRNBFSA-N 446.504 4.081 5 20 IIBD C[C@@H]1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1824276265 FUPHVONXPBSSIC-ZUYJWARTSA-N 443.544 4.257 5 20 IIBD CC(C)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 1826340126 JWDNAJFIPBRFRT-HXUWFJFHSA-N 449.979 4.457 5 20 IIBD O=C(COC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1cccc([N+](=O)[O-])c1 12257532 VIYJIZRMIMSHCH-UHFFFAOYSA-N 429.816 4.018 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@@H]1CCSc2ccc(Cl)cc21 12620515 UAKUWOXZKQJEFN-OAHLLOKOSA-N 447.900 4.290 5 20 IIBD C[C@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cc(F)c(Cl)cc1Cl 14575767 MZUIYMVQJBELMR-QMMMGPOBSA-N 446.287 4.109 5 20 IIBD CSc1ccc(C(=O)O[C@@H](C)C(=O)N(C)Cc2nc3ccccc3s2)cc1[N+](=O)[O-] 22162588 RHQGYGGVYKXSGY-LBPRGKRZSA-N 445.522 4.130 5 20 IIBD COc1ccc(N(Cc2cccs2)S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 26543059 SEDOLKNETRFYDR-UHFFFAOYSA-N 434.495 4.069 5 20 IIBD COc1ccc([N+](=O)[O-])cc1OCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 31673796 RMQVKNVWHQCUNH-UHFFFAOYSA-N 444.447 4.474 5 20 IIBD O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 32524379 FWJVCMSXPDZXRQ-UHFFFAOYSA-N 427.810 4.225 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc2nc(/C(Cl)=C/c3ccc([N+](=O)[O-])cc3)[nH]c2c1 57457902 IRKJOPPRWASYTM-WJDWOHSUSA-N 434.905 4.239 5 20 IIBD COc1ccc2c(c1)OC[C@@H](C(=O)Nc1nc(-c3ccc(C)c([N+](=O)[O-])c3)cs1)C2 64386307 WMJJLRLJEBOLBP-HNNXBMFYSA-N 425.466 4.225 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NC[C@@H](c2ccsc2)N(C)C)cc1[N+](=O)[O-])c1ccccn1 108780478 OZILHVSTLRBKRY-VFNWGFHPSA-N 439.541 4.257 5 20 IIBD CCc1ccc(NC(=O)c2nnc(COC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)s2)cc1 108800906 XSXFJIUSDMTSSR-KPKJPENVSA-N 438.465 4.018 5 20 IIBD Cc1c(NC(=O)CCN(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)cccc1[N+](=O)[O-] 111041022 DMYPHEKFDZVUPC-UHFFFAOYSA-N 439.491 4.326 5 20 IIBD C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 111154249 ZDDNWHCSEDXHTP-GOSISDBHSA-N 446.507 4.101 5 20 IIBD COc1cc(Br)c(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)cc1OC 237188972 OGWZRQJVBSXPPE-UHFFFAOYSA-N 447.232 4.266 5 20 IIBD CC(C)NC(=O)c1ccc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 301164936 HDXVWSJUJVNCCB-OAQYLSRUSA-N 431.920 4.336 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NC[C@H]1CCCO[C@@H]1c1ccccc1 301267779 UQEUBYICFCDVST-RDTXWAMCSA-N 426.441 4.171 5 20 IIBD O=C(Cc1cccc(F)c1)N1CCCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 301553608 RNYRLKILPAPVMN-UHFFFAOYSA-N 425.382 4.034 5 20 IIBD O=[N+]([O-])c1cc(Br)cnc1Sc1nnc(NCCc2cccs2)s1 301712894 YROHRJKYCDXBDP-UHFFFAOYSA-N 444.361 4.471 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N[C@H]1CCc2c(O)cccc21 302005975 VFEISOBFKKUNBY-SFHVURJKSA-N 425.466 4.201 5 20 IIBD NS(=O)(=O)c1cccc(N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)c1[N+](=O)[O-] 302156489 MWNNXKKMWVGBBA-TZMCWYRMSA-N 429.420 4.009 5 20 IIBD Cc1nc(-c2cccnc2)nc(Oc2ccc(I)cc2[N+](=O)[O-])c1C 302475348 QNPWGSUCXAENLD-UHFFFAOYSA-N 448.220 4.461 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 426914263 OJTGSEVCRFMKGQ-KRWDZBQOSA-N 429.231 4.263 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 427591949 BJSIMWRFSVVZKX-UHFFFAOYSA-N 426.816 4.156 5 20 IIBD COc1cc(C(=O)N2CC[C@](O)(C3CC3)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 428177422 ABALMJJGFDPBLE-OAQYLSRUSA-N 432.860 4.036 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CSCCN1Cc1ccccc1 429046523 MSFIUZQOOKNYFV-SFHVURJKSA-N 431.583 4.054 5 20 IIBD O=C(N=c1nc(Cc2ccccc2)[nH]s1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 429351639 FUCGETNEDVVCND-UHFFFAOYSA-N 446.488 4.290 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)C(=O)N(Cc3ccccc3)c3ccccc32)c1 430826326 VQRZSADCFMLCTQ-KRWDZBQOSA-N 445.475 4.433 5 20 IIBD CC(C)c1[nH]nc(C(=O)Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)c1[N+](=O)[O-] 433769855 YNCVUFYCRNPXLV-PMERELPUSA-N 426.498 4.143 5 20 IIBD COc1cc(C(=O)N(C)Cc2cc(F)cc(F)c2)c([N+](=O)[O-])cc1OCc1cscn1 433996963 KRMLIUJRQFVQNU-UHFFFAOYSA-N 449.435 4.189 5 20 IIBD COc1ccc(Cl)cc1-c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n[nH]1 434972961 KFLJBSQIWURWMZ-UHFFFAOYSA-N 443.268 4.101 5 20 IIBD C[C@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl 436016632 SKNNCVJPLWRJIF-JTQLQIEISA-N 436.251 4.046 5 20 IIBD O=C(c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)N1CCc2c(-c3ccccc3)cccc21 436026242 IULWMOCDAHTFTO-UHFFFAOYSA-N 441.443 4.118 5 20 IIBD O=C(Nc1ccc(Cn2cccn2)cc1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436061155 SSNAPBWJRQGCMU-UHFFFAOYSA-N 430.414 4.457 5 20 IIBD CC(C)(CO)[C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 438175011 HZAFNPPKXNMPCF-GOSISDBHSA-N 425.510 4.250 5 20 IIBD CC(=O)Nc1ccc(C)c2c1CCCN2C(=O)c1ccc([N+](=O)[O-])cc1Br 438944870 ZAKMYLWTTLJVBJ-UHFFFAOYSA-N 432.274 4.217 5 20 IIBD CCc1[nH]nc(C(=O)N[C@@H](c2cccc(SC)c2)c2ccc(F)c(F)c2)c1[N+](=O)[O-] 444289083 HCEYEZBFOODMEH-KRWDZBQOSA-N 432.452 4.400 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(Cc3ccc(NS(=O)(=O)c4cccs4)cc3)n2)s1 445484854 XRBLOEVOVAFZFZ-UHFFFAOYSA-N 448.507 4.159 5 20 IIBD CSc1nnc(-c2noc(-c3ccc(N[C@H](C)c4ccccn4)c([N+](=O)[O-])c3)n2)s1 445617664 BMYVNSNKSSHIRQ-SNVBAGLBSA-N 441.498 4.453 5 20 IIBD COc1cc(Cc2noc(-c3cnn(-c4ccc(Cl)cc4)c3)n2)c([N+](=O)[O-])c(OC)c1 445815466 KZOPWMXDJBJGIK-UHFFFAOYSA-N 441.831 4.092 5 20 IIBD Cc1c(C)n(C[C@H]2CCCO2)c2ncnc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c12 445966396 QZIUZBXPWUUXFG-CQSZACIVSA-N 429.864 4.041 5 20 IIBD O=C(c1c(F)cc(Br)cc1F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 446035939 PBLYCNTVBCLPGG-UHFFFAOYSA-N 441.228 4.319 5 20 IIBD CCOC(=O)[C@H]1CCN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c2ccccc21 446242945 CKVBWLDAOAPPLK-HNNXBMFYSA-N 447.285 4.363 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2OCC(F)F)c(C(F)(F)F)c1 446993322 YYFWTCZEDINNMW-UHFFFAOYSA-N 426.319 4.058 5 20 IIBD CC1(C)CN(C(=O)c2cc(C(=O)N3CC(C)(C)[C@H]3C3CC3)cc([N+](=O)[O-])c2)[C@@H]1C1CC1 460976868 KNIWEGQEYQJSGL-WOJBJXKFSA-N 425.529 4.116 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](Cc1ccccc1C(F)(F)F)C(C)(C)C 461272622 QBGZMFKDHFARJY-INIZCTEOSA-N 426.439 4.282 5 20 IIBD COc1cccc(O[C@@H](C)CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 461380476 NIBIZDWKLCOQLX-KRWDZBQOSA-N 435.480 4.413 5 20 IIBD Cc1cccnc1-c1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1C[C@@H]1CCCCO1 461809889 JFCZDTPQGWBAPK-NRFANRHFSA-N 448.527 4.295 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 464216601 OKOURQVGMDUXQL-MRXNPFEDSA-N 447.513 4.354 5 20 IIBD NC(=O)C1(NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CCCCC1 464568886 HRCLBOVIXJXWNZ-UHFFFAOYSA-N 433.917 4.317 5 20 IIBD O=C(CCOc1cccc(Br)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464635755 DMIJCUABMQXDMW-UHFFFAOYSA-N 449.301 4.196 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1nc(-c2cccc(F)c2)no1 466447480 ZVBUNVGIFJJGDK-CQSZACIVSA-N 427.436 4.465 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3C[C@H](C)O[C@]4(CCO[C@@H]4C)C3)cc2[N+](=O)[O-])cc1 468516911 QOBLXKQJZPZGOT-YGKZAACZSA-N 442.537 4.463 5 20 IIBD O=[N+]([O-])c1cn(C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)nc1-c1ccncc1 470879842 LJMDVIVIZPJHCX-GOSISDBHSA-N 432.436 4.086 5 20 IIBD C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 474738547 MXSKEOHAUZSDPO-CHWSQXEVSA-N 435.933 4.090 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3cc(C4CC4)nc4ccccc34)CC2)ccc1[N+](=O)[O-] 477389536 WIMKDGGKUHTTAD-UHFFFAOYSA-N 446.507 4.382 5 20 IIBD COc1ccc(CN(CCc2ccccn2)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1 478127819 HCFVTRIFXFTBQS-UHFFFAOYSA-N 430.464 4.365 5 20 IIBD Cc1ccc(I)cc1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 478376504 ZPTOCYSFOJAGSX-UHFFFAOYSA-N 436.209 4.170 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1 478833916 DHHCZRVMYZAANY-AWEZNQCLSA-N 447.413 4.048 5 20 IIBD C[C@@H](NCCCCc1ccc([N+](=O)[O-])cc1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl 479406643 JMGSTUJTNQCBJQ-GFCCVEGCSA-N 446.356 4.223 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N3C[C@H](C)O[C@@H](C4CC4)C3)c([N+](=O)[O-])c2)c(C)c1 480395317 QKMOALWCBDPLBE-KSFYIVLOSA-N 445.541 4.016 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)NCCc1c[nH]c2cc(Cl)cc(Cl)c12 480884420 NTKJFODURGUOSF-UHFFFAOYSA-N 428.297 4.045 5 20 IIBD O=C(c1cc(F)ccc1F)C1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 483630969 CMBGZFVRIKUIFK-UHFFFAOYSA-N 431.439 4.187 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1nc2ccccc2n1C(F)F 484811904 OWGSQARQCVXSPA-SECBINFHSA-N 426.326 4.432 5 20 IIBD CCCc1nc(C)c(CNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])o1 488779030 FAOXPZWFIHTXSW-UHFFFAOYSA-N 430.486 4.257 5 20 IIBD CCN(CC)c1nc2sc(C(=O)Nc3cc(C(=O)OC)cc([N+](=O)[O-])c3C)cc2s1 489784659 MBPBLOWRNMPVFD-UHFFFAOYSA-N 448.526 4.460 5 20 IIBD COCCOc1ncccc1CNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 490599513 DXSAHIPCOLZASP-UHFFFAOYSA-N 439.493 4.096 5 20 IIBD O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)c1c(Cl)cccc1[N+](=O)[O-] 497863440 FRAFVFTXBIIMPC-UHFFFAOYSA-N 438.311 4.175 5 20 IIBD Cc1ccc(Cl)c(N(Cc2cccnc2)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c1 500757340 IADVQEMFYFUIGD-UHFFFAOYSA-N 431.901 4.488 5 20 IIBD Cn1c(C(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] 502192226 BZAGRMJXZMFNQB-JOCHJYFZSA-N 438.915 4.134 5 20 IIBD CCn1c([C@@H]2CCCN2C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)nc2ccccc21 506186689 FYDITTKYCHPBSS-FQEVSTJZSA-N 430.468 4.127 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)c([N+](=O)[O-])c1 509568042 KOEGWQMCTKVRGX-UHFFFAOYSA-N 431.514 4.109 5 20 IIBD C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 512166294 KHQCXOVHHXOMIM-CQSZACIVSA-N 431.539 4.164 5 20 IIBD COc1cc(C(=O)Nc2cccnc2OC(C)C)c([N+](=O)[O-])cc1OCc1cscn1 512183596 VIKCZNQEXGZLPB-UHFFFAOYSA-N 444.469 4.073 5 20 IIBD Cn1ccnc1Sc1ncc(C(=O)N2CCCc3c2cccc3[N+](=O)[O-])cc1Cl 513844487 XFFJBUIWAJTIGT-UHFFFAOYSA-N 429.889 4.121 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)Nc1nc(C(F)(F)F)cs1)c1ccccc1[N+](=O)[O-] 515101934 NKUHPFRXUAKIMB-NSHDSACASA-N 446.407 4.275 5 20 IIBD Cc1cccc(NC(=O)Nc2cccc(CNC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)c2)c1 517452127 FHEUTOHYIPTNFO-UHFFFAOYSA-N 448.435 4.206 5 20 IIBD COc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 517586200 LOKAVBKDYYAFBB-IBGZPJMESA-N 443.525 4.055 5 20 IIBD C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1cc2c(cc1Br)OCCO2 522893986 CJEMCDLGMWAAHS-SECBINFHSA-N 441.665 4.273 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H](c1cccc(F)c1)c1cnn(C)c1 523979938 QVZMVSUTHRHDGB-XOBRGWDASA-N 428.489 4.196 5 20 IIBD CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1 524828168 QCFSZZOWCSZGGR-UHFFFAOYSA-N 447.557 4.453 5 20 IIBD CCN(CCOc1ccc(Br)cc1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 525121757 CQGLKNWOFKVAJE-UHFFFAOYSA-N 447.289 4.308 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 530768416 DLOQTXFZXHSZFI-GOSISDBHSA-N 429.864 4.050 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 532239261 ZYDQSMAADQKBHV-UHFFFAOYSA-N 445.519 4.159 5 20 IIBD COc1ccccc1[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccn1 534840317 FWHZAQQCTXQEHL-DEOSSOPVSA-N 446.507 4.121 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccnn2Cc2ccc(C(C)C)cc2)cc1[N+](=O)[O-] 536733213 VSOVVSNUXQDYNK-QGZVFWFLSA-N 449.511 4.087 5 20 IIBD CCOc1ccc(S(=O)(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1Br 538001976 HKBRBKPKZNCTMO-UHFFFAOYSA-N 429.292 4.174 5 20 IIBD Cc1cccc(NC(=O)N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)CC2)c1 538273571 LHOLVJOXJFLJGX-UHFFFAOYSA-N 442.541 4.394 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 539228691 FLAAJIIENNOYPC-QGZVFWFLSA-N 432.480 4.445 5 20 IIBD COc1cc(N2CCOC(C)(C)C2)ccc1N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 539658921 KDVDAACQNWQMOC-INIZCTEOSA-N 442.516 4.048 5 20 IIBD Cc1ccc([C@@H](C)NCc2nc(Cc3cccc(Br)c3)no2)cc1[N+](=O)[O-] 540480683 ROZNYBAGDFNVRR-CYBMUJFWSA-N 431.290 4.490 5 20 IIBD COc1ccc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])cc1N1CCCCC1=O 540481831 CLXCDQUNHILITA-UHFFFAOYSA-N 446.463 4.435 5 20 IIBD Cc1ccc(NCCCNC(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 542747535 OBXVQGKVCQAKPH-KNQAVFIVSA-N 444.507 4.406 5 20 IIBD Cc1c([N+](=O)[O-])cnc(NCc2cc3c(cc2OC(F)F)OCO3)c1Br 543436089 BZXONWKNFYQLOO-UHFFFAOYSA-N 432.177 4.003 5 20 IIBD C[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1)c1ccc([N+](=O)[O-])cc1F 544399028 KEUYSPLQQIWBAR-SBUREZEXSA-N 449.482 4.228 5 20 IIBD CCOc1ccc(NC(=O)CN[C@@H](CC)c2nc(C(F)(F)F)cs2)c([N+](=O)[O-])c1 544453460 BYYLMKPYRKLYKB-NSHDSACASA-N 432.424 4.148 5 20 IIBD C[C@H](C(=O)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2)c1ccc([N+](=O)[O-])cc1F 544554170 XDDGHXJHJDVWQE-KKXDTOCCSA-N 448.441 4.243 5 20 IIBD C[C@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(OCc2ccc(F)cc2)cc1 544723158 MAOCWHINRPDVBP-INIZCTEOSA-N 444.484 4.494 5 20 IIBD Cc1ccc(-c2noc([C@H]3CCN(c4cccc(Br)c4)C3=O)n2)cc1[N+](=O)[O-] 545567185 RFNSWUDDIQSVHP-OAHLLOKOSA-N 443.257 4.236 5 20 IIBD CC(C)(C(=O)NCc1ccc(N2CCc3ccccc3C2)nc1)c1ccc([N+](=O)[O-])cc1F 546538414 HUVOASNTKHBJJR-UHFFFAOYSA-N 448.498 4.286 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1CCOCC2(CCC2)C1 546810997 PQMVNYXEUYWVSL-FQEVSTJZSA-N 429.904 4.431 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] 551458047 YWNSQRFGNUKVAF-DOTOQJQBSA-N 447.438 4.105 5 20 IIBD COCC[C@@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 551576609 VDNZUXGFWSZYQW-MRXNPFEDSA-N 433.313 4.099 5 20 IIBD COc1cccc([C@@H]2[C@H](c3nc(-c4ccc([N+](=O)[O-])cc4C)no3)CC(=O)N2C2CC2)c1 577456336 OKDDKMZDFPVEFS-TZIWHRDSSA-N 434.452 4.181 5 20 IIBD CC1(C)C(=O)Nc2ccccc2N1C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 578302869 PBWYWMLFTPHFNZ-UHFFFAOYSA-N 439.415 4.470 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 580666008 XBTCVYDOTXFDMY-WZONZLPQSA-N 425.554 4.200 5 20 IIBD CC(C)Oc1nnc(SCc2cc(I)cc([N+](=O)[O-])c2)s1 589255500 UARACOKOYCECGK-UHFFFAOYSA-N 437.284 4.130 5 20 IIBD CC(=O)Nc1ccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c(C(F)(F)F)c1 590766480 KNGVVNODXZFMHN-UHFFFAOYSA-N 433.346 4.010 5 20 IIBD Cc1c(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)nnn1-c1cccc([N+](=O)[O-])c1 591709304 CPRSFZJQCLXRQZ-OAHLLOKOSA-N 448.508 4.113 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCNC(C)(C)c1ccc(Br)cc1 604125033 TXFGNUOECAGHGH-UHFFFAOYSA-N 436.306 4.219 5 20 IIBD CSc1ccc(C(=O)N2CCC([C@@H](CC(=O)O)c3ccccc3)CC2)cc1[N+](=O)[O-] 604498377 YYXPILCEIDTXCD-SFHVURJKSA-N 428.510 4.427 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CCC[C@H]2C[C@H]2C[C@H]3CC[C@H]2C3)cc1[N+](=O)[O-] 608880315 CMCAMMNFDONLJB-ONIAQPFYSA-N 441.557 4.305 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N2CCc3[nH]c4ccc(Cl)cc4c3C2)c([N+](=O)[O-])c1 609196604 AXLGKZNVLVLYTJ-GFCCVEGCSA-N 428.876 4.123 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCCc2nc3ccccc3n2C(C)C)cc1SC 609885612 KXKQQEHITRMGNL-UHFFFAOYSA-N 428.514 4.228 5 20 IIBD CCN(CC)C(=O)COc1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1Cl 610038996 FNCZCFIAKIFAIA-UHFFFAOYSA-N 447.919 4.412 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cnn(-c2cccc(Br)c2)c1 610047282 YZQBMEFEWCUINF-UHFFFAOYSA-N 443.301 4.296 5 20 IIBD CC(=O)NCCCc1ccc(-c2csc(NC(=O)c3cc(C)ccc3[N+](=O)[O-])n2)cc1 610221342 GBJMKSHDLBQCEV-UHFFFAOYSA-N 438.509 4.348 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCN(c2ccc(F)cc2F)C1 612041562 RANSGCURCGNQNC-ZDUSSCGKSA-N 427.860 4.014 5 20 IIBD COC(=O)c1ccc(OCc2ncc(-c3ccccc3Br)o2)cc1[N+](=O)[O-] 613110427 YUIBXBYCJPFBNJ-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD O=C(NCc1c(F)c(F)cc(F)c1F)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 672846403 JBDGZTYRIKBHTO-UHFFFAOYSA-N 436.311 4.446 5 20 IIBD CCN1C[C@@H](CN(C)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)Oc2ccccc21 681951192 LLWKIAXOUXSZOF-GOSISDBHSA-N 427.504 4.041 5 20 IIBD O=C(NC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1)Oc1ccccc1 727336658 BKYJQUIBQNWWIS-UHFFFAOYSA-N 425.466 4.203 5 20 IIBD Cc1cc(C(=O)NC[C@@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)ccc1[N+](=O)[O-] 728973323 OQWNUEBKRIOEBK-MRXNPFEDSA-N 436.308 4.102 5 20 IIBD O=C(OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1ccnc(Oc2ccccc2)c1 730705469 ZAUXLHRHJRHHHS-SFHVURJKSA-N 447.447 4.244 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)NC(=O)CCCCCc2cccs2)cc1[N+](=O)[O-] 731545665 DJISPLYYKPHOTH-UHFFFAOYSA-N 430.935 4.226 5 20 IIBD Cc1cc(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])ccc1N1CCCC1 731782090 IWQWVFBMCWNIIE-UHFFFAOYSA-N 440.319 4.067 5 20 IIBD O=[N+]([O-])c1ccc(I)c(-c2nc(-c3ccc(F)c(F)c3)no2)c1 731794133 BIDWMIUKAKXOTP-UHFFFAOYSA-N 429.120 4.195 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCCOc1ccc(C(F)(F)F)cc1 731976732 VUEQHEKGXMJVNZ-UHFFFAOYSA-N 440.346 4.101 5 20 IIBD O=C(COC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)Nc1cccc(CSc2ccccn2)c1 733392124 ZWNMKMBTQJRLNO-XFXZXTDPSA-N 449.488 4.477 5 20 IIBD O=C(O[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1ccc(Cl)c([N+](=O)[O-])c1 733814971 JARWTRWHHCJEHB-OAHLLOKOSA-N 444.749 4.109 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1cccc(C[S@@](=O)c2ccccc2)c1 734404623 JBQDTTCBNNRCPU-SSEXGKCCSA-N 428.441 4.059 5 20 IIBD Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)OCc3cc(Cl)ccc3[N+](=O)[O-])C2)c1 746068278 FGNPIVJIXLLDDR-MRXNPFEDSA-N 430.888 4.461 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)CC(C)(C)CNC(=O)OC(C)(C)C 747842545 HHFRDXXDTMEOCP-CQSZACIVSA-N 433.509 4.189 5 20 IIBD CC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 747958353 ZJGYJHAIZMXPMD-GFCCVEGCSA-N 439.449 4.105 5 20 IIBD Cc1c(CC(=O)OCC(=O)Nc2ccc(Br)cc2Cl)cccc1[N+](=O)[O-] 748477477 PGPZGOROIHHHRD-UHFFFAOYSA-N 441.665 4.044 5 20 IIBD CC[C@@H](C(=O)N1CCC(NC(=S)Nc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 749109808 XNLSCTNAGNXFDZ-HXUWFJFHSA-N 426.542 4.066 5 20 IIBD O=C(OCCCOc1ccc([N+](=O)[O-])cc1)c1cc(O)nc2c(Br)cccc12 750571542 LKWGGTQVUSNLQF-UHFFFAOYSA-N 447.241 4.237 5 20 IIBD CC(C)[C@@H](NC(=O)COC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 750963928 JVBLWHOFNUGLFM-GOSISDBHSA-N 435.274 4.028 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](CCN3CCCC3=O)c3ccccc32)c1 751334304 AKBJESTTWPSJEV-HNNXBMFYSA-N 425.510 4.073 5 20 IIBD C[C@@H](CC(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1F 752494161 BTAHHEIENQCLCA-HOCLYGCPSA-N 432.423 4.215 5 20 IIBD Cc1c(Br)cc(C(=O)N[C@@H](C)C[C@@H](O)c2ccc(F)cc2)cc1[N+](=O)[O-] 753657657 XWGFCAWMOZKBIH-DYZYQPBXSA-N 425.254 4.047 5 20 IIBD C[C@H](OC(=O)/C=C\c1cccc(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 754225318 UIUYPRRXWJBKAG-OFSNVTPPSA-N 426.322 4.336 5 20 IIBD O=C(OC[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 754762970 JXWZZKMXKWIUEM-CYBMUJFWSA-N 430.844 4.208 5 20 IIBD O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)Nc1ccc(Br)c([N+](=O)[O-])c1 755029103 LBZGQQKGUCQSNK-LBPRGKRZSA-N 437.269 4.144 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1nccnc1-c1nc2ccccc2s1 756996944 MTWDIFDJGZQKRK-UHFFFAOYSA-N 425.857 4.245 5 20 IIBD CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2cnc(C3CCC3)s2)NC(=S)N1C 760339312 QAOKMVWRDIYGCT-KRWDZBQOSA-N 443.554 4.093 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)OC[C@H]1COC(=O)O1 763909895 SJEJDFYRNBDZSO-MBSJSRAVSA-N 440.433 4.214 5 20 IIBD Cn1c(S)nnc1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC1 764168512 MQAFXTJBKRWVEL-UHFFFAOYSA-N 447.586 4.067 5 20 IIBD CC[C@@H](C(=O)N1CCC(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1)c1ccccc1 767171683 UEIHOZJDYZKCKC-GOSISDBHSA-N 429.904 4.163 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 767251991 WJDIOTPUEPBFOG-GFCCVEGCSA-N 434.823 4.445 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(Cc3cn(-c4ccccc4)nc3-c3cccnc3)CC2)cc1 768151565 HMBRYESSIJUXIU-UHFFFAOYSA-N 440.507 4.165 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCC(=Cc2ccc(F)c(F)c2)CC1 769268900 UBIYDQITLSCLSN-UHFFFAOYSA-N 435.814 4.171 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN(Cn2cc(Br)c([N+](=O)[O-])n2)C3)cs1 771621898 MBJGMYMWPNBDEM-UHFFFAOYSA-N 440.348 4.063 5 20 IIBD CC(C)(CCCO)CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 772913317 YKHZMNQOQHKLCL-UHFFFAOYSA-N 433.892 4.029 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCN1C(=O)OC(C)(C)C 773810237 VGRFQSLRFHHLMZ-WBVHZDCISA-N 435.524 4.199 5 20 IIBD Cc1csc(Sc2ccc(C(=O)O[C@H]3CCN(CC(F)(F)F)C3)cc2[N+](=O)[O-])n1 774670339 HCCPJBOZMOKYHD-LBPRGKRZSA-N 447.460 4.304 5 20 IIBD CN1CCC(N(C)[C@@H]2CCCC[C@H]2N(C)C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 775999197 SYXIFMJZTRVCFN-WOJBJXKFSA-N 437.972 4.049 5 20 IIBD O=C1CCSc2ccc(C(=O)O[C@@H](c3cccnc3)c3ccccc3[N+](=O)[O-])cc2N1 776135180 RJEXLDISZDUPNS-NRFANRHFSA-N 435.461 4.371 5 20 IIBD CCCCN([C@@H](C)c1ccc(C)o1)S(=O)(=O)c1ccc(NC(=O)OC)c([N+](=O)[O-])c1 777911803 PJSROJWZWJXXCI-AWEZNQCLSA-N 439.490 4.227 5 20 IIBD CCC[C@@H]1C[C@H](C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)CCO1 780390172 USJQSPHRHNDRQN-SLYNCCJLSA-N 432.517 4.118 5 20 IIBD Cc1ccc(N2CCC[C@@H](OC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)C2=O)cc1 781259051 GLEDOQBZVACXDX-HSZRJFAPSA-N 426.472 4.342 5 20 IIBD O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781559456 LFKRFGOIBUYVAA-IBGZPJMESA-N 433.449 4.103 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cccc(CSC2CCOCC2)c1 781674242 FEGGAXCMXOUBCK-UHFFFAOYSA-N 445.497 4.487 5 20 IIBD O=[N+]([O-])c1ccccc1OCCN(Cc1ccco1)S(=O)(=O)/C=C\c1ccccc1 782304636 HWSUGSGEMWKDGQ-VBKFSLOCSA-N 428.466 4.070 5 20 IIBD Cc1onc(OC(F)F)c1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 788111888 QAXHHOTUQXPUFG-UHFFFAOYSA-N 427.307 4.242 5 20 IIBD CC(C)(C)C(=O)NC1CCC(C(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])CC1 789468891 JOCPVILZUOTQOG-QYGXFBIXSA-N 439.512 4.344 5 20 IIBD O=[N+]([O-])c1cc(Br)c(F)cc1OCc1noc(-c2ccc(F)cc2F)n1 790291583 DCWGMFVVUIEDED-UHFFFAOYSA-N 430.136 4.404 5 20 IIBD CN(Cc1ccc(F)cc1Br)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 790424603 LOVHRJSJGVCNLC-UHFFFAOYSA-N 430.661 4.491 5 20 IIBD CC(C)[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)[C@@H](O)c1ccccc1 790432583 WTTQSUYTAQJJLT-IRXDYDNUSA-N 441.709 4.499 5 20 IIBD COCC[C@@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1ccc(Cl)c(Cl)c1 791244360 JDSNJVNIAJLMAT-QGZVFWFLSA-N 437.283 4.145 5 20 IIBD COc1ccc(OC(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)cc2)cc1[N+](=O)[O-] 792119713 CUBNHTXBPCGDHN-UHFFFAOYSA-N 441.461 4.105 5 20 IIBD O=[N+]([O-])c1ccc(N2CCOCC2)c(-c2nc(-c3cccnc3Oc3ccccc3)no2)c1 795724173 VKLZGUAPESLLOC-UHFFFAOYSA-N 445.435 4.336 5 20 IIBD Cc1nc2ccccc2n1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 797217082 PWOSVOQHSWBZPD-UHFFFAOYSA-N 443.301 4.493 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N[C@H](C)c2ccsc2)cc1 801015928 CRBCZANLBCXKLR-CQSZACIVSA-N 446.506 4.223 5 20 IIBD O=C(Nc1ccccc1Br)C1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 801522002 OXOAUTVJRCHAAE-UHFFFAOYSA-N 436.281 4.347 5 20 IIBD CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 807960498 UPLNONJNANSRQZ-UHFFFAOYSA-N 438.362 4.051 5 20 IIBD C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 807989195 YQEKTOLFDLEXKS-VXAPYIKBSA-N 443.313 4.288 5 20 IIBD Cc1cc(OS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)c(F)cc1[N+](=O)[O-] 809833009 FPBQJRQUWHJJQV-UHFFFAOYSA-N 425.177 4.025 5 20 IIBD O=C1N[C@](c2ccccc2)(C(F)(F)F)C(=O)N1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 809956839 FTDKAKBGCBHSEB-INIZCTEOSA-N 448.184 4.411 5 20 IIBD Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 811085155 BSYYEJATTHUEOF-QGZVFWFLSA-N 437.279 4.444 5 20 IIBD CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811218519 DSJLIKFMPWJXEA-INIZCTEOSA-N 449.554 4.099 5 20 IIBD C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813078722 QCCKIFMAVKXUQO-CMPLNLGQSA-N 432.304 4.419 5 20 IIBD CC(C)C(=O)Nc1ccc(Cl)c(C(=O)O[C@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)c1 813170131 HRVYVBZXWQOHHC-SFHVURJKSA-N 445.903 4.274 5 20 IIBD Cc1cc([N+](=O)[O-])c(F)c(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)c1F 854223263 AVTYYONCFFAXTA-UHFFFAOYSA-N 427.411 4.419 5 20 IIBD C[C@H](OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)c(Cl)c1 855085382 ITDYVJTUQZOMEM-NSHDSACASA-N 449.250 4.271 5 20 IIBD COC(=O)c1ccc(OC(=O)c2cc(SC)ccc2[N+](=O)[O-])c(Br)c1 863928553 SASPMDVNRVBFQX-UHFFFAOYSA-N 426.244 4.085 5 20 IIBD COc1cc(C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)c([N+](=O)[O-])cc1OC 915151559 CFALEBPPZNITMR-UHFFFAOYSA-N 435.408 4.350 5 20 IIBD O=C(OCCOc1ccccc1Cl)c1cc([N+](=O)[O-])ccc1I 915492132 VPWNBXOWZYQCLY-UHFFFAOYSA-N 447.612 4.089 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)NCc2ccccc2CN2CCCC[C@@H]2C)cc1[N+](=O)[O-] 915652409 UKIIZKHDEDNJSN-HNNXBMFYSA-N 426.473 4.116 5 20 IIBD O=C(c1ccc(Cl)nc1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 916419935 YAUHQDBHCHBLHQ-UHFFFAOYSA-N 442.928 4.330 5 20 IIBD CC1=C(C(=O)N2CCCCCC2)[C@H](c2cc([N+](=O)[O-])c(F)cc2F)NC(=O)N1CC1CC1 916726829 ZMMJMJZDAXPFAO-FQEVSTJZSA-N 448.470 4.026 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCc2cccc(Cn3cccn3)c2)CC1 918381316 SVVLDCIZILVOAZ-UHFFFAOYSA-N 433.512 4.006 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 918533660 BJOAWXQUOWVLSM-INIZCTEOSA-N 446.887 4.243 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Oc1ccc(Br)cc1Cl 920314114 GXCZPFUTDRCHBV-UHFFFAOYSA-N 427.059 4.432 5 20 IIBD C[C@@H](NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])c1nc(C(C)(C)C)cs1 1318373966 SLATUGRSAOPLKP-SECBINFHSA-N 448.364 4.151 5 20 IIBD COC(=O)[C@H](OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)c1ccccc1Cl 1319125079 BNCKGWVJWGRBQH-CQSZACIVSA-N 446.612 4.221 5 20 IIBD CN(Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@H]1CCN(CC(F)(F)F)C1=O 1319949263 ZEPPABNAJMBUCH-AWEZNQCLSA-N 431.798 4.103 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N2CCN(C(C)(C)C)CC2)cc1[N+](=O)[O-] 1322008714 SZVNOGCYTVFDIW-UHFFFAOYSA-N 441.553 4.104 5 20 IIBD CC(=O)N1CCN(c2ccc(-c3nnc(-c4ccc(C(C)(C)C)cc4)o3)cc2[N+](=O)[O-])CC1 1328291755 QRUHXLWWAVSQOS-UHFFFAOYSA-N 449.511 4.278 5 20 IIBD COc1cc(CNCc2ccc(Br)o2)c([N+](=O)[O-])cc1OCC(F)(F)F 1338641869 OLMTZZDSTYFORS-UHFFFAOYSA-N 439.184 4.190 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CC=CCC4)cc3)CCC2)ncc1[N+](=O)[O-] 1786075719 UFUUVFIPJMCFPN-QGZVFWFLSA-N 434.496 4.402 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)CCC1)c1ccc(Cl)cc1 1789689323 GAQDCWPBTFCOML-UHFFFAOYSA-N 439.859 4.033 5 20 IIBD Cc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc3occc3c2)cc1[N+](=O)[O-] 1797567012 KMRDNFYTXLHFAO-WKCHPHFGSA-N 447.491 4.144 5 20 IIBD Cc1ccc(C(=O)N2CCCC3(CCN(C(=O)c4cc(F)cc([N+](=O)[O-])c4)CC3)C2)s1 1808096538 KPHRLYHWLVNDKT-UHFFFAOYSA-N 445.516 4.262 5 20 IIBD CCCCC[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)CC2 1825284708 BYIARVVLJIIUOC-QWHCGFSZSA-N 434.518 4.087 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)F)CC1 1826769803 WHVUUPKYQRXPTJ-SFHVURJKSA-N 437.487 4.024 5 20 IIBD Cc1cc2oc(=O)cc(CN3C(=O)N[C@@](C)(c4ccc([N+](=O)[O-])cc4)C3=O)c2cc1C(C)C 8646325 CNLOSQNFMHTFPJ-DEOSSOPVSA-N 449.463 4.100 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(F)cc1 10722907 QDENPBXOIRLPSB-DLBZAZTESA-N 446.478 4.103 5 20 IIBD C[C@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)N(c1nccs1)C1CCCCC1 11460052 IVVRFPYHJNFRLY-AWEZNQCLSA-N 449.554 4.441 5 20 IIBD C[C@H](OC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 12270274 PWEFZAGSFWNJTC-LBPRGKRZSA-N 445.378 4.031 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)SCc2nc3sc(C)c(C)c3c(=O)[nH]2)cc1[N+](=O)[O-] 17639338 QPRUDGMMTSHKNS-GFCCVEGCSA-N 432.527 4.078 5 20 IIBD C[C@H](OC(=O)CCC(=O)c1ccc2c(c1)CCC2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 17747459 XXQGZUOKWOQORR-AWEZNQCLSA-N 435.436 4.401 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3ccsc3)cc2)cc1[N+](=O)[O-] 18217026 WQZFYUPVQPZCRY-UHFFFAOYSA-N 445.522 4.038 5 20 IIBD Cc1ccccc1N1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 23438772 GJKZAWZHQXLARN-UHFFFAOYSA-N 430.508 4.478 5 20 IIBD CSc1ccccc1NC(=O)[C@H](C)OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 24792938 LXEVKXHAIDUBEH-HNNXBMFYSA-N 443.525 4.104 5 20 IIBD C[C@@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(=O)NCCc1c[nH]c2ccccc12 25375247 JOXQNERXDUFGLV-CYBMUJFWSA-N 437.477 4.195 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 45824107 PYFXAUWXSXMNRN-KDOFPFPSSA-N 444.513 4.015 5 20 IIBD COc1cccc(CN(C(=O)Cn2c([N+](=O)[O-])cnc2C)C23CC4CC(CC(C4)C2)C3)c1 64332031 WQMKYCQMWSMZED-UHFFFAOYSA-N 438.528 4.106 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccnn1Cc1cccc(Br)c1 107861982 OPIVDPCQENDVJP-TWGQIWQCSA-N 427.258 4.254 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSc1nc(C2CC2)n(-c2ccccc2)n1 261430413 JUTRKSDCKNATJZ-UHFFFAOYSA-N 437.481 4.143 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCC1(c2ccc(Cl)cc2)CCOCC1 301349179 IFHDATLZMOXJPS-UHFFFAOYSA-N 431.876 4.365 5 20 IIBD O=[N+]([O-])c1cnc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c(Br)c1 301525285 IPGTWNCBDCAXIR-MRXNPFEDSA-N 426.698 4.356 5 20 IIBD CSc1ccc([C@H](CNc2ncc([N+](=O)[O-])cn2)N2CCc3sccc3C2)cc1 302153856 LPYNLTCMVNZLKC-SFHVURJKSA-N 427.555 4.380 5 20 IIBD Cc1nc(-c2cccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)c2)oc1C 303412574 ALRDYLYSMSIYOF-INIZCTEOSA-N 440.481 4.171 5 20 IIBD CCOc1cc(Br)c(NC(=O)c2ccc([N+](=O)[O-])cc2OC)cc1OCC 427600587 HFZHZBTWQFHQCZ-UHFFFAOYSA-N 439.262 4.416 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[C@H](OCCCc2ccccc2)C1 430450085 PKXFDLSEZCHANG-QFIPXVFZSA-N 437.540 4.062 5 20 IIBD Cc1nc(C)c(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)s1 434380045 ONKZDUVVGGAIAZ-UHFFFAOYSA-N 446.510 4.030 5 20 IIBD CN(Cc1ccc(Br)o1)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 436098078 CGLBPGWLADCOMO-UHFFFAOYSA-N 429.245 4.448 5 20 IIBD CC(C)Cn1ccc2cc(NC(=O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)ccc21 437075258 RUWRTONQMGGKOX-UHFFFAOYSA-N 434.496 4.335 5 20 IIBD C[C@H](NC(=O)N[C@@H](C)[C@H](OC1CCOCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 437404534 CASBHUAVRCHQSQ-HOIFWPIMSA-N 427.501 4.280 5 20 IIBD O=C(NCc1nc(-c2cccc(Cl)c2)no1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437957772 BHTOWWMVSXLZHI-UHFFFAOYSA-N 427.848 4.172 5 20 IIBD Cc1cc(Br)cc(C)c1NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 438651504 VEDMUZSJGMRUFF-UHFFFAOYSA-N 448.317 4.350 5 20 IIBD COc1cc(C(=O)Nc2ncc(C)c(-c3ccccc3)n2)c([N+](=O)[O-])cc1OC(F)F 439304745 OAWVXBXTFOOHKK-UHFFFAOYSA-N 430.367 4.223 5 20 IIBD Cc1ccc(NC(=O)C(=O)N2CCC(c3cccc(Br)c3)CC2)cc1[N+](=O)[O-] 440091208 WLEDRTGFKYGQOX-UHFFFAOYSA-N 446.301 4.010 5 20 IIBD C[C@@H](c1ccccc1Br)N(C)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 446894581 OCUGLWLOHLBTSQ-NSHDSACASA-N 432.278 4.136 5 20 IIBD CC(C)[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCc2ccccc2C1 463406891 RZLLDJFKEIZFEJ-FQEVSTJZSA-N 435.446 4.426 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CCc2c(-c3ccccc3)cccc21 463882505 XPLGLLIQVHAUEM-UHFFFAOYSA-N 429.476 4.301 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc2sccc2c1 464705451 ICXMOJVYOOWYJI-UHFFFAOYSA-N 430.507 4.395 5 20 IIBD Cc1ccc(OC(F)F)c(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1 465022031 XWTZMGISNFIKHX-UHFFFAOYSA-N 429.217 4.126 5 20 IIBD C[C@@H]1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c2cc(Cl)ccc2S1 466992291 WDFGGODYFBFXTJ-GFCCVEGCSA-N 434.901 4.479 5 20 IIBD CCOc1ccc(Oc2ccccc2NC(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])cc1 467991632 AHLDUOLWUSXQGY-UHFFFAOYSA-N 449.463 4.083 5 20 IIBD COc1cc(CNC2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F 469783666 PMWPWUHVNPARIN-HOTGVXAUSA-N 449.498 4.451 5 20 IIBD C[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@H](c2ccsc2)O1 470630306 ZDMJROMLFJIJLX-YMTOWFKASA-N 437.326 4.114 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1 470825330 KLAYSNFABBWKAL-UHFFFAOYSA-N 427.844 4.109 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@H](c2ccc(Br)cc2)[C@H]1C 471055790 GWCHQCUKMOBWPW-YJYMSZOUSA-N 449.301 4.358 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC[C@H]3[C@@H]3CCCCC3=O)cc2[N+](=O)[O-])C1 471913356 VFGVFYRGIUOGLT-HNJRGHQBSA-N 427.545 4.441 5 20 IIBD COC(=O)c1nc([C@@H]2CCCN2C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)sc1C 471974790 CFCOOFIXNMKUAL-DOMZBBRYSA-N 432.502 4.062 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(=O)n(Cc2csc(C(C)C)n2)c1 472231473 GNCYZIZAAMMSNN-UHFFFAOYSA-N 426.498 4.254 5 20 IIBD O=[N+]([O-])c1cc2ccccc2nc1N1CCCN(Cc2cn3cc(Cl)ccc3n2)CC1 473517465 AKSZBUFWRNURGF-UHFFFAOYSA-N 436.903 4.156 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)NCCc2cccc(OCC(F)(F)F)c2)cc1[N+](=O)[O-] 474516460 MBAKMWJBQHIZKG-CQSZACIVSA-N 425.407 4.447 5 20 IIBD COc1cc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2OC)ccc1OCc1ccncc1 474972437 PZSXCTGUHUOJDP-OAHLLOKOSA-N 437.452 4.077 5 20 IIBD COC(=O)[C@@H](Cc1ccc(C)cc1)S[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 477064550 GXVCLIRHVCBUSG-FZKQIMNGSA-N 436.917 4.401 5 20 IIBD COC(=O)c1cc(F)cc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1F 478065639 KQHZAYMBQVPOOJ-UHFFFAOYSA-N 447.316 4.119 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 478241384 YROAULXUEMIUSH-ZWKOTPCHSA-N 431.439 4.085 5 20 IIBD CC[C@H](C)c1ncc(NC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])cn1 478279939 LUNLCTWCHGGYEH-LBPRGKRZSA-N 443.485 4.195 5 20 IIBD COc1ccc(Sc2ccc(NC(=O)C(=O)NCc3ccccc3[N+](=O)[O-])cc2)cc1 481385547 ZTXHAFBIAGHDSZ-UHFFFAOYSA-N 437.477 4.010 5 20 IIBD C[C@H](O)[C@@](C)(CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)Cc1ccccc1 482177458 JKBRFYVMGLIFMA-YHAMSUFESA-N 432.495 4.180 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@]2(CCCOC2)O1 484874012 WDTXBOGPCXVKSP-NYHFZMIOSA-N 446.887 4.451 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCc1nc2c(s1)CCCC2 485839266 BKVNYLLIHMBYPX-UHFFFAOYSA-N 435.571 4.031 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C1CCN(C(=O)c2ccccc2)CC1 487034244 XPLYOPFYBMLWKY-UHFFFAOYSA-N 427.526 4.084 5 20 IIBD O=[N+]([O-])c1cccnc1N1CCC(c2nc(-c3ccccc3Br)no2)CC1 487106489 XWSTYUWVSIOFAB-UHFFFAOYSA-N 430.262 4.186 5 20 IIBD CC[C@H](C)[C@](C)(O)CNc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] 488239384 BHZAFWBGKFIJSD-HRAATJIYSA-N 435.546 4.221 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1ccc(CN2CCCC2=O)cc1 488376650 FLSHOAKLEPGVQR-UHFFFAOYSA-N 436.390 4.058 5 20 IIBD C[C@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(Cc2c(Cl)cccc2[N+](=O)[O-])C1=O 488724227 RYOWXOILWOQJEG-QGZVFWFLSA-N 427.766 4.234 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](Oc2ccccc2Cl)C1 489124468 CHRIXKDGGCSALP-HNNXBMFYSA-N 436.917 4.280 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1)N1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 493178216 DNHDTBDZWQJXOW-UHFFFAOYSA-N 427.810 4.225 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 494081634 INFYKZPOPRHINS-UHFFFAOYSA-N 448.401 4.268 5 20 IIBD O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 498525127 PNYIWZDIDPRTEG-UHFFFAOYSA-N 448.483 4.441 5 20 IIBD O=C(NC1(Cc2ccc(F)cc2)CCOCC1)c1ccc([N+](=O)[O-])cc1Br 499238167 RPVNDJOYXYNUTP-UHFFFAOYSA-N 437.265 4.018 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br 500493399 YIPFAIRYRCQTPB-UHFFFAOYSA-N 439.209 4.485 5 20 IIBD COc1cc(CCNC(=O)N[C@H](C)c2cccc(OC(C)C)c2)c([N+](=O)[O-])cc1OC 502520600 IPBDDPHZPKOUMN-OAHLLOKOSA-N 431.489 4.002 5 20 IIBD C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)C1CC1 502847141 RJWZEJPQIDKMHE-LBPRGKRZSA-N 449.385 4.274 5 20 IIBD CCOC(=O)c1cc(C(=O)N(C)[C@H](C)c2ccccc2Br)cc([N+](=O)[O-])c1 503652535 KGRKIYHLLBDOFL-GFCCVEGCSA-N 435.274 4.367 5 20 IIBD COc1cccc([C@@H](C)N2CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC2)c1 505520696 RBWQFUXRHMHTOQ-QGZVFWFLSA-N 425.529 4.420 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N(CCc1ccccc1)Cc1ccncc1 507907662 JCUDPKBSYIJCDH-UHFFFAOYSA-N 430.508 4.475 5 20 IIBD CCOC(=O)CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)CC1 509162361 BSQRSYCHHNWMOA-UHFFFAOYSA-N 442.468 4.201 5 20 IIBD COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 509718312 GUVDIXJBJXWQDT-GOSISDBHSA-N 446.935 4.456 5 20 IIBD CN(CCCOc1cccc(S(C)(=O)=O)c1)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 512264260 UYIBPJNIRLFQNC-UHFFFAOYSA-N 444.509 4.159 5 20 IIBD Cc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(Br)cc2)cc1[N+](=O)[O-] 512803186 SIEHWWHWIALOBC-UHFFFAOYSA-N 435.322 4.261 5 20 IIBD COc1ccc(-c2ncc(C(=O)N(C)CCc3cccc([N+](=O)[O-])c3)s2)cc1OC 513014656 LGWJTQYEMADMSE-UHFFFAOYSA-N 427.482 4.050 5 20 IIBD Cc1ccc([C@H]2CCCN2c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])s1 514081036 AIHKKJWBRWZFIH-GOSISDBHSA-N 435.571 4.481 5 20 IIBD COc1cc(N2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)ccc1F 517043075 FQIKVVJYMWNKHH-UHFFFAOYSA-N 428.489 4.188 5 20 IIBD O=C(c1ccccc1)c1cccc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 519193790 SFFHALXGILHOSY-UHFFFAOYSA-N 430.464 4.180 5 20 IIBD O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CC[C@H](n2cc(Cl)cn2)C1 519736953 XKWFFWVDHNWFHW-KRWDZBQOSA-N 426.860 4.111 5 20 IIBD Cc1ccc(C(=O)N[C@@H](CC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c2ccccc2)cc1 521542762 YQXMJYGRPWGSFM-QFIPXVFZSA-N 431.492 4.423 5 20 IIBD COc1ccc(C(C)(C)CNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)cc1 522624393 REOSNAVCOKKIMI-UHFFFAOYSA-N 428.876 4.192 5 20 IIBD O=C(Cc1csc(-c2ccc(Cl)cc2)n1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 522928487 GNZGBZKFANEDCJ-HNNXBMFYSA-N 443.916 4.022 5 20 IIBD Cc1ccc2nc(-c3ccc(NC(=O)C(=O)NCc4cccc([N+](=O)[O-])c4)cc3)sc2c1 524351534 APEAZOPMFXBJML-UHFFFAOYSA-N 446.488 4.435 5 20 IIBD CCCN1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c(OCC)c2)CC1 527061278 GDVINHJHQXDZTC-UHFFFAOYSA-N 446.935 4.431 5 20 IIBD Cc1cccc(C)c1OC[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 531784251 KYCUHNQCJULSIQ-OAQYLSRUSA-N 433.464 4.087 5 20 IIBD NC(=O)Cc1ccc(NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 533212059 PZFZKSTYSJCKMQ-UHFFFAOYSA-N 427.464 4.087 5 20 IIBD O=C1NCCN1[C@@H]1CCCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 535083332 YGKKKEGIAADDDG-QGZVFWFLSA-N 430.892 4.030 5 20 IIBD COc1cc(C(=O)NC2(c3ccc(F)cc3F)CCC2)c([N+](=O)[O-])cc1OC(F)F 536492297 OGLDWPYTNDPESU-UHFFFAOYSA-N 428.338 4.292 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 536684803 HQIZJEWNEKZIBT-UHFFFAOYSA-N 449.429 4.137 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 537474083 LAIRTPFYMGZISM-ROUUACIJSA-N 449.617 4.448 5 20 IIBD C[C@@H]1CN(Cc2ccccc2NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 537736710 YUFYQRKAJMJDDJ-QZTJIDSGSA-N 435.528 4.217 5 20 IIBD CCOc1cc(CNc2ccc(Cl)cn2)ccc1OCCn1c([N+](=O)[O-])cnc1C 539708869 QGSRKNIZLMPHEC-UHFFFAOYSA-N 431.880 4.238 5 20 IIBD COc1ccc(Cl)cc1C[C@@H]1CCCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 539858139 ARNUSJAVAYYONB-LBPRGKRZSA-N 444.962 4.181 5 20 IIBD CC(C)n1c([C@@H]2CCCN2c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])nc2ccccc21 542120248 POQHFUZHXWQROP-HNNXBMFYSA-N 434.543 4.332 5 20 IIBD COc1ccccc1C1(CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCC1 544818442 HCQTVVBCRMMEHQ-UHFFFAOYSA-N 439.512 4.278 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(Cc3ccc(NS(=O)(=O)c4cccs4)cc3)n2)cc1 546260591 SLEOKZBBSSKLOK-UHFFFAOYSA-N 442.478 4.098 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(Sc2nc3cccc(Br)c3s2)n1 553559004 AFGHBJMUAODGHK-UHFFFAOYSA-N 426.273 4.300 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 558513135 GHZSNXALGHKSTJ-UHFFFAOYSA-N 446.891 4.399 5 20 IIBD C[C@H](NC1(Cc2ccc(F)cc2Cl)CCOCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 559410789 IFJZKNVOWNOUSB-AWEZNQCLSA-N 435.883 4.096 5 20 IIBD CC(=O)N(c1ccc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1)C1CC1 570312899 XTMIETJCMUWDKO-UHFFFAOYSA-N 447.495 4.224 5 20 IIBD O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2cccc(Cn3cnc4ccccc43)c2)n1 573674588 YQLPTRGQHQMOFB-GGAORHGYSA-N 430.512 4.463 5 20 IIBD Cn1ccnc1[C@H](NC[C@@H]1CCCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 574123380 AOYGHYPEVINBHL-XUZZJYLKSA-N 433.556 4.310 5 20 IIBD COc1ccc(CN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C2CC2)c(OC)c1 574772490 MGYQDDHESMTISB-CQSZACIVSA-N 429.473 4.453 5 20 IIBD Cc1c(CNC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)C2CCCC2)cccc1[N+](=O)[O-] 582777922 YNVKORKNGPCKMP-FQEVSTJZSA-N 429.904 4.221 5 20 IIBD NC(=O)c1ccnc(Sc2nc3cc(Cl)ccc3n2Cc2ccccc2)c1[N+](=O)[O-] 583596923 JZLBDXAYRFEWAE-UHFFFAOYSA-N 439.884 4.291 5 20 IIBD Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NCc3nc4c(s3)C[C@@H](c3ccccc3)CC4)cc21 588018967 USUSRMHLQKMAKO-HNNXBMFYSA-N 449.536 4.126 5 20 IIBD CCO[C@@H](c1ccccc1)c1noc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 589150716 GBNGLQSFCLELKB-PMACEKPBSA-N 436.468 4.389 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2c(-c3ccccc3)ncn2C2CC2)c2ncccc12 589596410 RJAAFJNRTIINPA-UHFFFAOYSA-N 435.465 4.142 5 20 IIBD CC1CCN([C@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])c2cccs2)CC1 589795126 FKTIQIRHZCCALH-HXUWFJFHSA-N 428.558 4.434 5 20 IIBD CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 603495028 DWLKNTXJKYJSIM-AWEZNQCLSA-N 446.525 4.330 5 20 IIBD Cc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2F)cc(S(=O)(=O)N2CCC(C)CC2)c1C 608870576 KTCCMGMWZGJTAT-UHFFFAOYSA-N 449.504 4.024 5 20 IIBD Cc1cccc2sc(NS(=O)(=O)c3cc(Br)cc([N+](=O)[O-])c3)nc12 609424992 GMWCZQCJPXGVTI-UHFFFAOYSA-N 428.289 4.076 5 20 IIBD O=C(NCCC(=O)N1CCc2sccc2[C@H]1c1cccs1)c1ccc([N+](=O)[O-])cc1 609550306 ZSBNRMOHNDBPRQ-FQEVSTJZSA-N 441.534 4.012 5 20 IIBD CC[C@@H](C)NC(=O)c1ccc(NC(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])c(C)c1 610094482 KTSUAYVKDSDRDA-QGZVFWFLSA-N 441.532 4.364 5 20 IIBD COc1cc(C(=O)NC2(c3cccc(Br)c3)CCC2)cc([N+](=O)[O-])c1OC 610172590 ORGFFHHXDIFNKJ-UHFFFAOYSA-N 435.274 4.184 5 20 IIBD COc1cc(C(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)cc([N+](=O)[O-])c1OC 610173267 RUHBDKJMINALPX-UHFFFAOYSA-N 432.436 4.262 5 20 IIBD O=[N+]([O-])c1cc(Br)cnc1Oc1cccc(F)c1I 611001893 XKJLJSWVKWRDLC-UHFFFAOYSA-N 438.978 4.288 5 20 IIBD CCc1cc2oc(=O)cc(COC(=O)Cc3ccc(OC)c([N+](=O)[O-])c3)c2cc1Cl 727887635 PLEJTDPNGGKSBR-UHFFFAOYSA-N 431.828 4.212 5 20 IIBD C[C@@H](OC(=O)Cc1c[nH]c2cc(Cl)ccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 727910569 BPXAIJYOWDVZHW-SNVBAGLBSA-N 436.251 4.496 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Oc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1[N+](=O)[O-] 728245437 GQLNSFJCDGYGND-UHFFFAOYSA-N 439.355 4.422 5 20 IIBD CC(C)(C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(F)cc1 728651407 WMASDZOBPFICCP-UHFFFAOYSA-N 428.338 4.212 5 20 IIBD COc1ccc(C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 731087129 FWSJXMZCOFLUNR-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD CCc1ccc([C@@H](NC(=O)COC(=O)c2ccc([N+](=O)[O-])c(F)c2)c2cccs2)cc1 731517697 SAIQZLQTZNTPKE-OAQYLSRUSA-N 442.468 4.420 5 20 IIBD Cc1nn(CCC(=O)O[C@H](Cc2ccc(Br)cc2)C2CC2)c(C)c1[N+](=O)[O-] 732508505 IQAXQUVQOJAVNC-QGZVFWFLSA-N 436.306 4.125 5 20 IIBD C[C@H](CN(C)C(=O)OC(C)(C)C)c1noc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 733740663 KLWJFKGIVVUEPB-CQSZACIVSA-N 431.493 4.215 5 20 IIBD CC(C)[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccccc1Cl 734342699 WKFFHDJQBKNMIN-RNODOKPDSA-N 433.867 4.254 5 20 IIBD O=C(Cc1csc(NC(=O)c2ccccc2)n1)OCc1cc([N+](=O)[O-])ccc1Cl 734782582 VQCDLANZXDLHIE-UHFFFAOYSA-N 431.857 4.243 5 20 IIBD CC(C)(C)c1ccc([C@H](O)CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 734872405 JXRHATLTZOUBPB-JOCHJYFZSA-N 425.529 4.346 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(CS(=O)(=O)Cc2noc(-c3ccc(Cl)cc3)n2)c1 735562891 OEKXWZJFWMMTAP-UHFFFAOYSA-N 428.253 4.067 5 20 IIBD COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)CC1=O 735801212 ASCXUENFYNZYGS-NSHDSACASA-N 438.267 4.210 5 20 IIBD CCOC(=O)C[C@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 735901184 OKEYRLVKFHPTOM-KRWDZBQOSA-N 436.258 4.138 5 20 IIBD CC(C)(C)CCC(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 737473062 UUBFJLUCGXOFHX-PTNGSMBKSA-N 439.921 4.227 5 20 IIBD Cc1csc(-c2cccc(C(=O)O[C@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c2)n1 740408753 WIBXNNAOOSTDJY-GFCCVEGCSA-N 429.429 4.350 5 20 IIBD O=[N+]([O-])c1cccc(OS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)c1 742268146 ROCHVYSEEAEXDZ-UHFFFAOYSA-N 426.166 4.144 5 20 IIBD CS(=O)(=O)c1ccc(Sc2ccccc2C(=O)Oc2cccc([N+](=O)[O-])c2)cc1 742498227 OLKMRPCNYBPWGG-UHFFFAOYSA-N 429.475 4.369 5 20 IIBD Cc1ccc(-c2cc(C(=O)OCCn3ccc([N+](=O)[O-])n3)c3cnn(C(C)C)c3n2)s1 748109517 DWRRVCIEPAERTA-UHFFFAOYSA-N 440.485 4.011 5 20 IIBD Cc1sc2nc([C@H](C)OC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)nc(O)c2c1C 748945881 BJLGJYQBBKNYCB-JTQLQIEISA-N 446.441 4.365 5 20 IIBD COCCN(Cc1cccs1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 750843214 LAEQTWBXSJXXJV-UHFFFAOYSA-N 433.711 4.361 5 20 IIBD CN(C(=O)c1ccccc1C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1)C1CCCCC1 751630289 GGIOPCUZFXTMFP-UHFFFAOYSA-N 437.452 4.498 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(N(C)Cc3ccccc3)cc2)cc1[N+](=O)[O-] 752133107 AUHVOGHHRTUKKE-SFHVURJKSA-N 446.507 4.356 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCC1([C@H](O)c2ccccc2)CC1 752353860 LBFCLMNALXRELM-LJQANCHMSA-N 437.418 4.046 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N[C@@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] 752923011 ASCCXUJSTWBTJK-XYJFISCASA-N 434.537 4.299 5 20 IIBD CCOc1ccccc1C(F)(F)C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 753485738 JNHWDSDOIZYUNW-NSHDSACASA-N 442.802 4.309 5 20 IIBD CC(C)(C)OC(=O)NC[C@H](C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccccc1 753630448 QIJAWNGCBZEFHG-SFHVURJKSA-N 436.468 4.390 5 20 IIBD O=C(CCN(CCCO)Cc1ccc(Cl)c(Cl)c1)Nc1cc([N+](=O)[O-])ccc1F 753920509 GTNXESNUWPUNFV-UHFFFAOYSA-N 444.290 4.254 5 20 IIBD CCC(C)(C)OCc1ccccc1NC(=O)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 754626547 BITDXJRXCRJRBO-UHFFFAOYSA-N 445.428 4.232 5 20 IIBD CCN(Cc1nc(O)c2ccccc2n1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 755025942 PGHJOPAETOIBFK-UHFFFAOYSA-N 446.261 4.060 5 20 IIBD CCCC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 755060827 IJSOTADILZIKHB-KBPBESRZSA-N 430.432 4.391 5 20 IIBD C[C@H](OC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 756749302 LCUNOFGCOANQBY-VXJOIVPMSA-N 447.658 4.159 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 757277996 XRTDBRRNKGUCLG-UHFFFAOYSA-N 445.809 4.448 5 20 IIBD Cc1ccc2nc([C@@H]3CCCN3c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])[nH]c2c1 757769039 VKWPFJJEELPIQR-INIZCTEOSA-N 436.440 4.117 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCc1csc(-c2ccc3c(c2)OCO3)n1 758732620 QPCNZJHRDRBPDU-UHFFFAOYSA-N 437.433 4.214 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2CCC(F)(F)F)c([N+](=O)[O-])c1 758929738 UNOPWAOJSFCVCG-GFCCVEGCSA-N 440.374 4.282 5 20 IIBD Cc1c(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cnc(Cl)c1Br 759280688 BJIMWHRJZBNQFC-UHFFFAOYSA-N 436.653 4.152 5 20 IIBD COc1ccccc1[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)c1ccccn1 760403452 JIECMFAWTPBPHV-FQEVSTJZSA-N 447.900 4.028 5 20 IIBD CC(C)[C@@H](OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(=O)Nc1ccccc1Cl 763869329 KOTAOYSQUXIGCW-LJQANCHMSA-N 442.859 4.254 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 764178168 APZYKUUQPIOKMT-CQSZACIVSA-N 437.562 4.472 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 764302031 GBWOMEKKRNAKEZ-INIZCTEOSA-N 445.324 4.104 5 20 IIBD Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 764304166 WVHXDQFZRAIIKV-SFHVURJKSA-N 439.903 4.452 5 20 IIBD COc1cc(C(=O)N[C@@H](CC(=O)O)C2CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 767074057 BMZVKPLZOTVGEO-AWEZNQCLSA-N 434.832 4.032 5 20 IIBD C[C@](O)(C1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C(F)(F)F 767211910 ISXPLKPZBQPVFJ-ZDUSSCGKSA-N 431.289 4.052 5 20 IIBD Cc1nccn1CCCN(C)[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 767449428 MCKVHMRKRBESCC-NRFANRHFSA-N 441.919 4.455 5 20 IIBD CC(=O)OCCCc1cccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 768429911 LFUHFCQVIVQUNU-UHFFFAOYSA-N 425.466 4.466 5 20 IIBD Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1cc(Br)cc([N+](=O)[O-])c1 770474621 CDBFYFIOUJZOFV-HKUYNNGSSA-N 430.302 4.114 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)C2(Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 771169801 GOALYWHXYTWCSO-ZDUSSCGKSA-N 432.860 4.150 5 20 IIBD CC(C)(C)OC(=O)N1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 771765395 NCGIKOKZBWQFHH-UHFFFAOYSA-N 432.399 4.088 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc(CC(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)c1 772112039 OHMNQRFUYXBXJP-UHFFFAOYSA-N 427.413 4.369 5 20 IIBD C[C@H](OC(=O)c1sc(Br)cc1[N+](=O)[O-])c1nc(-c2cccs2)no1 773603017 DYPHRAQIKCOIPH-LURJTMIESA-N 430.261 4.448 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCO[C@H](c2ccc(F)cc2Cl)C1 775061515 MDPZGFJUYPZROU-FQEVSTJZSA-N 433.867 4.201 5 20 IIBD CC(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)ccc1Br 775676025 OZWBBVLAFOUCFN-UHFFFAOYSA-N 447.694 4.323 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)c(C)cc2Cl)cc1[N+](=O)[O-] 777645272 PWXQHXXNHTWTLM-UHFFFAOYSA-N 434.257 4.189 5 20 IIBD Cc1onc(-c2ccccc2)c1C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 778617417 VFNCOGMPVIDUNT-GFCCVEGCSA-N 429.816 4.396 5 20 IIBD O=C(O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)c1nccnc1Sc1ccccc1 778808352 CPWDYKMVKZZGET-HNNXBMFYSA-N 440.456 4.111 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 780287570 MUJPLWICIFPYKZ-AWEZNQCLSA-N 430.482 4.484 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1I)c1nc(C2CC2)cs1 781188583 HOPATEOQDHZAEV-QMMMGPOBSA-N 444.250 4.451 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cccc(-c2n[nH]c3c2CCCC3)c1 781943196 KRGAWDOXDQHOQI-UHFFFAOYSA-N 435.440 4.343 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cccc([N+](=O)[O-])c1Br 782164397 SFQZDLLSGJMTCQ-UHFFFAOYSA-N 428.626 4.191 5 20 IIBD Cc1cc(C(=O)CCC(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)c(C)s1 783364848 JUBIGNGLFWUCJF-UHFFFAOYSA-N 431.514 4.091 5 20 IIBD CN1C[C@@H](C(=O)OCc2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)c2ccccc2C1=O 784062330 PNUCPLIREIEONY-JOCHJYFZSA-N 432.432 4.300 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc(N2CCOC2=O)cc1 785966643 LMTDBXGSDCKNPT-GFCCVEGCSA-N 448.273 4.113 5 20 IIBD O=C(CSc1nc2cc(Br)cnc2[nH]1)Nc1cc(Cl)ccc1[N+](=O)[O-] 786605587 JPSXLOSNXUUDGF-UHFFFAOYSA-N 442.682 4.013 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(Cn2ccnc2[C@@H](O)c2ccc(F)cc2)cc1OC 786756159 ASLMMWLWLZEXKK-NYHFZMIOSA-N 443.475 4.494 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)c1ccccc1Br 789081167 DHQCVPHMPNPZBZ-VIFPVBQESA-N 444.184 4.387 5 20 IIBD CCc1c(NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)cnn1C(CC)CC 790419802 OTAAPCOLGPUGPL-UHFFFAOYSA-N 445.339 4.278 5 20 IIBD C[C@H](OC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1Cl 790745762 PGTBHWVDFAVLOE-QMMMGPOBSA-N 433.194 4.293 5 20 IIBD O=c1oc(-c2ccccc2[N+](=O)[O-])nn1CN1CCC[C@@H]1c1ccccc1C(F)(F)F 794625166 AOEFYDBSMMFNLF-MRXNPFEDSA-N 434.374 4.225 5 20 IIBD C[C@H](OC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1Br 796445349 XDDAURINBOQSOQ-LBPRGKRZSA-N 435.274 4.205 5 20 IIBD Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)CCCC(F)(F)F 799818605 ACOGHWSHIOZURD-VIFPVBQESA-N 433.246 4.065 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCC(=O)c1cccc(Cl)c1Cl 801856240 ICNARKCRZOKMFM-UHFFFAOYSA-N 427.196 4.169 5 20 IIBD O=Cc1ccc(OCC(=O)N2CCc3sccc3[C@H]2c2cccs2)c([N+](=O)[O-])c1 801931063 NTOZHPPWTUTNAV-FQEVSTJZSA-N 428.491 4.083 5 20 IIBD O=C(OCc1nc2ccc(Br)cc2o1)c1cc([N+](=O)[O-])ccc1OC(F)F 803090772 QYCHEKSMRNIRGD-UHFFFAOYSA-N 443.156 4.457 5 20 IIBD CNc1ccc(Cl)c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 808607586 JMNGBVQEUVKFHH-UHFFFAOYSA-N 431.754 4.104 5 20 IIBD CCOc1cc(CONC(=N)c2cccc(NC(=O)OC(C)(C)C)c2)ccc1[N+](=O)[O-] 809996704 IAIFXUVRPCOUIA-UHFFFAOYSA-N 430.461 4.387 5 20 IIBD Cc1cc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c(C(=O)NCC(F)(F)F)cc1F 813288841 NCDFAKGKDRUTTC-UHFFFAOYSA-N 433.745 4.240 5 20 IIBD C[C@H]1C[C@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C 813543025 HWSMEJWJVKWVGG-CMPLNLGQSA-N 432.304 4.419 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 814238047 FDXFJZLAEXLVCS-UHFFFAOYSA-N 430.504 4.312 5 20 IIBD CNc1ccc(C(=O)N2CCC[C@@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1[N+](=O)[O-] 814428782 OCLBSUULAMTPJL-MSOLQXFVSA-N 446.548 4.136 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCN(C(=O)Cc3ccccc3[N+](=O)[O-])C2)C1 814431330 LOYJCKUZDUMXAD-RTBURBONSA-N 431.533 4.023 5 20 IIBD CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F 814484855 NCMXXCXTCJXRAV-ZIAGYGMSSA-N 431.464 4.497 5 20 IIBD O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 814980821 MYXFQMNLEKARCI-UHFFFAOYSA-N 435.864 4.347 5 20 IIBD Cc1cc(-n2c(C)cc(C(=O)COC(=O)c3cc([N+](=O)[O-])c(C)cc3Cl)c2C)no1 815405684 FLRHKFLOPRUQJK-UHFFFAOYSA-N 431.832 4.300 5 20 IIBD CC(C)(C)OC(=O)NCCOc1ccc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc1 816058806 BUDJXDDGFZDTSL-UHFFFAOYSA-N 443.500 4.415 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C(=O)N[C@H](C)c1ccc2ccccc2c1 854157889 MSEMLLDOFPBPOE-CVEARBPZSA-N 435.480 4.237 5 20 IIBD Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c(Cl)c1 855086254 STBXEIFNFXMQAT-CQSZACIVSA-N 442.859 4.235 5 20 IIBD CC(C)[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1N)C(=O)Nc1ccccc1C(F)(F)F 915365564 FGRZRECSXQPYFO-MRXNPFEDSA-N 425.363 4.016 5 20 IIBD CC(=O)N(c1ccccc1)c1nc(COC(=O)CCOc2cccc([N+](=O)[O-])c2)cs1 915449472 ZHQWUKSOZVJTHB-UHFFFAOYSA-N 441.465 4.248 5 20 IIBD CN(Cc1cccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)c1)C(=O)OC(C)(C)C 917113080 QWPKRBPAVIJIOA-UHFFFAOYSA-N 425.445 4.090 5 20 IIBD COc1ccc(OC2CCN([C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CC2)cc1 917139585 ZMCWLKSLVYPYEO-AWEZNQCLSA-N 433.892 4.127 5 20 IIBD O=C(NC[C@H]1CCCOC1)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 917835474 GOGPNTKCFXDRSB-OAQYLSRUSA-N 437.540 4.210 5 20 IIBD CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2cc(F)ccc2F)NC(=O)N1CC1CC1 918076248 MJASMNFUJNSHGT-FQEVSTJZSA-N 442.422 4.262 5 20 IIBD Cc1cc(C)n2nc(CCCOC(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)nc2n1 918499117 QTTUGSRBMAUFTK-UHFFFAOYSA-N 447.451 4.231 5 20 IIBD CCCN1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3OC)cc2Cl)CC1 919835144 JCSVXZBCAPASSN-UHFFFAOYSA-N 432.908 4.041 5 20 IIBD O=C(COc1ccc(-c2ccccc2)cc1[N+](=O)[O-])NCc1ccc(N2CCCC2=O)cc1 920308111 YUCMSJSWHSTXJI-UHFFFAOYSA-N 445.475 4.084 5 20 IIBD CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)CCO1 920446229 MECAQLGHQDJZCI-QFIPXVFZSA-N 437.540 4.305 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 1319904247 RWURBFIDIUVUDX-XIKOKIGWSA-N 434.290 4.159 5 20 IIBD Cc1cc(C)nc(-n2nc(C)c(Cc3nc(-c4cc(C)c([N+](=O)[O-])cc4C)no3)c2C)n1 1325491483 RPNYCYYJWLJTPJ-UHFFFAOYSA-N 433.472 4.062 5 20 IIBD O=c1oc2cc([N+](=O)[O-])ccc2n1CCCc1nnc(COc2ccc3ccccc3c2)o1 1326222992 QMUHWKOFROBCHF-UHFFFAOYSA-N 446.419 4.251 5 20 IIBD COc1ccc(NC(=O)N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1 1520136114 WSJXGPNBRKCUEE-UHFFFAOYSA-N 436.509 4.104 5 20 IIBD O=C(Cc1ccc(Cl)cc1[N+](=O)[O-])NC1(c2ccc(NC(=O)C(F)F)cc2)CCC1 1787705579 HBOAGZCLKJOAHN-UHFFFAOYSA-N 437.830 4.190 5 20 IIBD CC1(C(=O)NC2(c3ccc(NC(=O)c4cc([N+](=O)[O-])cc5c4OCC5)cc3)CCC2)CC1 1790046379 BVZVDGLWDANPIS-UHFFFAOYSA-N 435.480 4.078 5 20 IIBD CC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])C3)CCCCC1 1802213379 TVTBQBPMJTYRAV-REPLKXPHSA-N 447.963 4.399 5 20 IIBD O=C(/C=C/c1ccccc1)N1CCCC2(CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)C1 1809300115 WXUWNYKRTLVQTC-ZHACJKMWSA-N 447.535 4.082 5 20 IIBD C[C@@H]1CCC[C@@H]1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)[nH]n1 1818959060 NCCMEEUNJWXNLM-XVGQJIODSA-N 443.479 4.199 5 20 IIBD Cc1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)CC3CCC3)[nH]n2)cc1[N+](=O)[O-] 1820919969 FLIZDLQCTSNMDV-LJQANCHMSA-N 439.516 4.051 5 20 IIBD CCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2F)[nH]n1 1821939524 SARUFFUFUCPTJO-GOSISDBHSA-N 445.495 4.128 5 20 IIBD Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1C 1823613453 CIFGUKWYZMKPKZ-HXUWFJFHSA-N 439.512 4.352 5 20 IIBD O=C(CC1CCCC1)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1824274310 DXDXYTCLLZRRJJ-ZQAUEJBPSA-N 443.544 4.401 5 20 IIBD CC(=O)CCc1ccc2oc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])c(C)c2c1 8876521 GPWXIDICGMXIAA-HNNXBMFYSA-N 438.436 4.355 5 20 IIBD C[C@@H](OC(=O)Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 11069028 RDKOOAUINVABDY-SNVBAGLBSA-N 430.766 4.380 5 20 IIBD CC1CCN(c2ccc(C(=O)NCc3ccc(Cn4cccn4)cc3)cc2[N+](=O)[O-])CC1 12626174 SCTZBQRDYOMNNU-UHFFFAOYSA-N 433.512 4.006 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c(F)c1 15539307 QJCFYBRXDRPBBV-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)ccc21 16125125 PVRXDRJSQUEHNK-CQSZACIVSA-N 438.480 4.230 5 20 IIBD Cc1nc(-c2ccccc2)ccc1C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 16166242 ISKKIBVXIYNKRA-UHFFFAOYSA-N 425.828 4.414 5 20 IIBD Cc1c(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)cccc1[N+](=O)[O-] 19200100 WDSIOFCHDHPISW-UHFFFAOYSA-N 431.514 4.109 5 20 IIBD C[C@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 22469357 JQYHLIWFKIHISP-YFKPBYRVSA-N 438.692 4.128 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1ccccc1Br 22495159 MVBGZJAOBLYMOH-VIFPVBQESA-N 427.638 4.195 5 20 IIBD C[C@H](NC(=O)COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(Br)cc1 23419045 XMRBQALBGSDUNS-JTQLQIEISA-N 441.665 4.045 5 20 IIBD COCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1Cl 28942458 GBFQUQUQIKVVGK-UHFFFAOYSA-N 448.781 4.310 5 20 IIBD Cn1cnnc1-c1cccc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 33127208 PWHFMVSHXPBIPX-UHFFFAOYSA-N 428.452 4.255 5 20 IIBD O=[N+]([O-])c1ccc(NCC2CCN(S(=O)(=O)c3ccccc3)CC2)c(C(F)(F)F)c1 60874598 YOINMXVLSWZNEV-UHFFFAOYSA-N 443.447 4.126 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 69251455 DUWIRCSJSXBXJI-NRFANRHFSA-N 442.585 4.460 5 20 IIBD Cc1occc1C(=O)Nc1cc(N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1F 108415742 INRMTQFWTOKJBF-LBPRGKRZSA-N 426.404 4.327 5 20 IIBD CCCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCN(C(=O)c2ccccc2)CC1 110292558 JPUXQSBWDSPUEX-UHFFFAOYSA-N 449.511 4.162 5 20 IIBD COc1ccc(-c2ccc(CN[C@@H](CN3CCOCC3)c3ccccc3)o2)c([N+](=O)[O-])c1 237424110 OBJNWRRZKANXRM-QFIPXVFZSA-N 437.496 4.027 5 20 IIBD O=C(O)c1cc(C(=O)Nc2ccc3[nH]c(Cc4ccccc4F)nc3c2)cc([N+](=O)[O-])c1 237993575 IFLBLKTVJGHESO-UHFFFAOYSA-N 434.383 4.152 5 20 IIBD O=[N+]([O-])c1ccccc1CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 321449496 NVLMTWALFTXZEO-UHFFFAOYSA-N 440.102 4.143 5 20 IIBD COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 409539699 UUCVZYVVLHWVCF-RDJZCZTQSA-N 425.466 4.478 5 20 IIBD Cc1sc2nc(Cc3noc(C(C)(C)c4ccccc4[N+](=O)[O-])n3)nc(O)c2c1C 426447684 MODQLHYQDGKINP-UHFFFAOYSA-N 425.470 4.222 5 20 IIBD Cc1cc(-n2nc(C)cc2NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)nc(C)n1 429887082 PNHWQKAWZUZXBC-UHFFFAOYSA-N 443.467 4.492 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(-c2ccc(Cl)s2)cn1 433122867 SBFFTPCDLUMJSG-UHFFFAOYSA-N 425.875 4.181 5 20 IIBD Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n([C@@H]2CCN(Cc3ccccc3)C2)n1 435302921 SITONFLRWPGWPW-GOSISDBHSA-N 439.903 4.452 5 20 IIBD O=C1CCC(=O)N1c1ccc(C(=O)N2CCCC[C@H]2CCCc2ccccc2)cc1[N+](=O)[O-] 435915199 ISJUIFFZKUJEFG-FQEVSTJZSA-N 449.507 4.266 5 20 IIBD Cc1ccc(NC(=O)NC[C@@H]2CCCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])C2)cc1 436391966 ZSHMFCWKAWDZNU-AWEZNQCLSA-N 437.422 4.355 5 20 IIBD Cc1cccc(C(NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)c2cccc(C)c2)c1 437940781 HTLYLKHWQNUECW-UHFFFAOYSA-N 438.505 4.135 5 20 IIBD Cc1c(CC(=O)Nc2nnc(-c3cccc(Br)c3)s2)cccc1[N+](=O)[O-] 438981767 VCMQOOTWMPIIRX-UHFFFAOYSA-N 433.287 4.365 5 20 IIBD COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)Cc2cccc([N+](=O)[O-])c2C)c1 439284795 MPNPOOZMQUCMPF-UHFFFAOYSA-N 434.448 4.450 5 20 IIBD O=C(NCc1ccccc1COc1ccccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 442012691 PDEWPKPDXXGABT-UHFFFAOYSA-N 439.855 4.082 5 20 IIBD Cc1c(NC(=O)C(=O)N2CCCCC[C@@H]2c2noc(-c3ccccc3)n2)cccc1[N+](=O)[O-] 442471301 INBNGIZOJJAFHZ-LJQANCHMSA-N 449.467 4.036 5 20 IIBD CCNc1ccc(C(=O)Nc2cc(F)c(F)cc2I)cc1[N+](=O)[O-] 443970972 JYZPGFLRFJEIAI-UHFFFAOYSA-N 447.179 4.162 5 20 IIBD Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)o1 444090703 YXYHXMBZBVJBNO-HSZRJFAPSA-N 436.471 4.313 5 20 IIBD CC(C)(C)c1nnc(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)s1 444238927 GMLZSWLNPPMZTE-UHFFFAOYSA-N 428.464 4.039 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCO[C@H](CCc2ccccc2)C1 444307857 BXXDSHYVOJLBTA-GOSISDBHSA-N 430.479 4.294 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)Cc1noc(-c2ccc([N+](=O)[O-])cc2Cl)n1 445321339 PMGMEYVWDFQTGR-UHFFFAOYSA-N 437.239 4.450 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N(Cc1ccccc1C(F)(F)F)C1CC1 446900705 QLDURBXGNJWLMH-UHFFFAOYSA-N 433.390 4.364 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2cc([C@H]3CCCO3)nn2C)cc1[N+](=O)[O-])c1ccccn1 447652483 GDPSQRMGJPURNM-VBKZILBWSA-N 436.472 4.000 5 20 IIBD O=C(Nc1ccn(CC(F)(F)F)n1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 448399050 ZSIWICOSPDXWGW-UHFFFAOYSA-N 440.765 5.052 5 20 IIBD COc1ccc(CSCC(=O)N2CCC[C@H]2CC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 448435617 BKRIBBHVEHBYSM-SFHVURJKSA-N 446.500 4.240 5 20 IIBD O=C(Nc1ccnn1-c1ccc(Br)cn1)c1cc2cc([N+](=O)[O-])ccc2s1 448544612 UUPSPMMYHKQHGO-UHFFFAOYSA-N 444.270 4.405 5 20 IIBD Cc1c(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cccc1-n1cnnc1O 461099828 UOSQIPBCKDIVPP-UHFFFAOYSA-N 430.424 4.185 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])c1nnc(CC2CCCCC2)n1C[C@H]1CCOC1 461578266 OLMNNUHVVFSINC-LJQANCHMSA-N 427.549 4.025 5 20 IIBD O=C(NCCOc1cccc(Br)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 463178216 RDVQWPZSMVNYMS-UHFFFAOYSA-N 433.180 4.185 5 20 IIBD Cc1ccc(C)c(-n2ncc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc34)c2C)c1 463795040 BNJONQHQPXUQLQ-UHFFFAOYSA-N 437.481 4.055 5 20 IIBD COc1cc(CN[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c([N+](=O)[O-])cc1F 464075805 YXEQMMUBMAYGIC-JOCHJYFZSA-N 444.484 4.025 5 20 IIBD O=C(CCc1ccccc1Br)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464657704 COSMEGAPBRTPGN-UHFFFAOYSA-N 433.302 4.360 5 20 IIBD COc1cc(C(=O)N[C@@H]2c3ccccc3CC23CCOCC3)c([N+](=O)[O-])cc1OC(F)F 464715102 XJHXKXMDSKKIEA-LJQANCHMSA-N 448.422 4.029 5 20 IIBD CSC[C@@H](CCO)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 467917961 JFSKBDGNCLBRIW-CYBMUJFWSA-N 426.947 4.243 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 468065685 RJPPABIRTAZCNF-INIZCTEOSA-N 444.879 4.307 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(C)c1Br 470336822 VURJPLGTMHFGJA-UHFFFAOYSA-N 439.331 4.334 5 20 IIBD O=C(Nc1ccc(-c2ccco2)cc1F)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 470538471 QDTGLAFQTCQDKY-OAHLLOKOSA-N 429.429 4.299 5 20 IIBD C[C@H]1OCC[C@]12CN(C(=O)c1ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c1)CCO2 470665243 BKCYRJQQKMYSET-SZNDQCEHSA-N 448.928 4.419 5 20 IIBD C[C@H]1CN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C[C@@H](c2ccsc2)O1 470710714 HELCHUYEUCFUHO-ZBEGNZNMSA-N 430.404 4.200 5 20 IIBD Cc1nc2cc(C(=O)N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)ccc2o1 470751267 JAVXXIFICINUJY-UHFFFAOYSA-N 434.374 4.026 5 20 IIBD CN(Cc1ncc(-c2ccccc2)[nH]1)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 478496613 KRFPOVLWMDFOJF-UHFFFAOYSA-N 434.374 4.198 5 20 IIBD CCOc1cc(NC(=O)NCc2nc3cccc(Cl)c3n2C)c([N+](=O)[O-])cc1OCC 479889531 LJSFNIGJRDMXGI-UHFFFAOYSA-N 447.879 4.254 5 20 IIBD Cc1ccccc1[C@H]1CN(c2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)[C@H](C)CO1 480067517 ZVJQPXYABXKYOG-FOIQADDNSA-N 440.887 4.069 5 20 IIBD Cc1ccc(-n2ncc(NS(=O)(=O)c3cc([N+](=O)[O-])c(O)cc3C)c2C(C)C)cc1 480193069 CVTMNCJJJANOQG-UHFFFAOYSA-N 430.486 4.027 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCSC[C@H]2c2cnn(C)c2)cc1OC 484789587 MARBXVNWWMGNNE-BEFAXECRSA-N 434.562 4.052 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)cc1SC 486918288 ZQTGSIAWRPGTQW-UHFFFAOYSA-N 426.498 4.221 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 487186357 OARUSNNZUSSBEL-UHFFFAOYSA-N 439.438 4.180 5 20 IIBD Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NCC(=O)Nc1cc([N+](=O)[O-])ccc1C 488015448 RJAANKDRGHECCV-IYBDPMFKSA-N 438.528 4.380 5 20 IIBD COc1cccc(Cc2nnc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)o2)c1 488855393 OLJQMSLJLLLQAR-LLVKDONJSA-N 448.888 4.350 5 20 IIBD C[C@@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 488977478 RCAHDTRESMPRCH-NSHDSACASA-N 439.287 4.485 5 20 IIBD O=C(N[C@@H]1CCOC2(CCCC2)C1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 489076848 QGESHSFSEXGKQU-GFCCVEGCSA-N 439.299 4.309 5 20 IIBD CCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccc([N+](=O)[O-])cc1 489391673 RNWYFSLJYNFMRP-UHFFFAOYSA-N 440.510 4.214 5 20 IIBD O=C(CCCc1ccc(Br)s1)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 490400392 QVJPVDPTGDBJRB-UHFFFAOYSA-N 436.291 4.165 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NCc1csc(Br)c1 494690308 NDRPIIIYPABDNF-UHFFFAOYSA-N 438.225 4.437 5 20 IIBD CS(=O)(=O)c1cccc(N2CCC(c3ccccc3C(F)(F)F)CC2)c1[N+](=O)[O-] 497538198 IOCYRSNNLVNLIK-UHFFFAOYSA-N 428.432 4.401 5 20 IIBD CC(C)[C@H](NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccccc1Cl 497724651 CQJDCZONHPRWAK-FQEVSTJZSA-N 429.904 4.253 5 20 IIBD O=C(NCCc1nc(C2CCCCC2)cs1)c1cc([N+](=O)[O-])ccc1SCCO 497863536 GLDAEHPXTAFMPV-UHFFFAOYSA-N 435.571 4.156 5 20 IIBD Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 498154513 YFPZNOFQBQOBRR-YCRPNKLZSA-N 445.566 4.238 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C 498413696 LHKLVVFJGBVWJV-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD NC(=O)C1CCN(Cc2cccc(NC(=O)c3cc4ccccc4c4cccnc34)c2)CC1 501454134 UJVQNZPHUGBHCF-UHFFFAOYSA-N 438.531 4.338 5 20 IIBD O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 501943479 BPDQINNQKZWIIZ-UHFFFAOYSA-N 437.502 4.390 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)NCC1(c2c(F)cccc2F)CCCC1 501980915 ISTQCGCFWWKEGV-AWEZNQCLSA-N 433.455 4.310 5 20 IIBD Cc1cc(NC(=O)c2cc(NC(=O)N(C)C)ccc2Cl)n(-c2ccc([N+](=O)[O-])cc2)n1 503000706 LXLFHZYHRFVOJZ-UHFFFAOYSA-N 442.863 4.088 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F 503984122 DUHYQYNHEJCZOY-ZDUSSCGKSA-N 430.738 4.108 5 20 IIBD CC(C)Sc1ccc([C@@H](C)NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 504748738 CMTJKIAGHNLWQL-CYBMUJFWSA-N 433.555 4.164 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(CC(F)F)c1ccccc1 509349877 FWWWPQRCQOCOTL-UHFFFAOYSA-N 446.191 4.420 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(C)cc2OC[C@@H]2CCCO2)c([N+](=O)[O-])cc1OC 511759530 VELLHDJVMXMCCW-HNNXBMFYSA-N 430.457 4.121 5 20 IIBD NC(=O)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)c1ccccc1 512539071 OTVFGSAJPCKFCI-IBGZPJMESA-N 427.526 4.224 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)cn2)cc1C 514413469 CWQYSMPMTBKPDD-UHFFFAOYSA-N 448.483 4.148 5 20 IIBD CC(C)c1cc(C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)n[nH]1 515484442 WKJLAFFWIQDWKD-UHFFFAOYSA-N 439.541 4.128 5 20 IIBD C[C@@H]1CCCN(c2nnc(SCCOc3ccccc3[N+](=O)[O-])n2Cc2ccco2)C1 515567655 VCURJKYSXZGGSE-MRXNPFEDSA-N 443.529 4.235 5 20 IIBD CCOC1CC(N(C)C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 516676510 RTGLGVKBOMDVFF-UHFFFAOYSA-N 428.510 4.187 5 20 IIBD CC(C)C[C@@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N[C@@H](C)c1ccccc1 517714949 REGMNNQRLFJKLP-RXVVDRJESA-N 435.528 4.276 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 520328800 JLSDXVRVZIREPY-UHFFFAOYSA-N 440.681 4.078 5 20 IIBD COc1ccc(CNCc2csc(N(C(C)=O)c3ccc(F)cc3)n2)cc1[N+](=O)[O-] 522213254 ORMYIAYYYOASBE-UHFFFAOYSA-N 430.461 4.173 5 20 IIBD O=C(CCC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccc(-c2ccccc2)cc1 522930708 HXUDZMLQYFPDSR-OAQYLSRUSA-N 444.491 4.333 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N(Cc2c(C)noc2C)Cc2c(C)noc2C)c1 524240525 YCXRVMZQZZLGFQ-UHFFFAOYSA-N 430.486 4.369 5 20 IIBD O=C(Cc1nnc(O)c2ccccc12)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] 525845472 JYQFKVAITJLZCG-UHFFFAOYSA-N 430.420 4.004 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)[S@@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c(C)c1 536305636 SPSGLWNBFLFIRR-JGVYIQDASA-N 427.482 4.143 5 20 IIBD CN(CC(=O)Nc1ccccc1Br)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 536321409 SCJPNOWSPQPCJC-UHFFFAOYSA-N 445.273 4.083 5 20 IIBD CC(C)[C@@H]1C[C@H](NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 539030997 IIVUDKKESQCWBS-OFNKIYASSA-N 448.523 4.310 5 20 IIBD CN1CCC(N2CCC(CCN(C)Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)CC1 539823920 OUFWBFWPRBNWNJ-UHFFFAOYSA-N 440.588 4.483 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C 539912942 VRHXYTMCOVOHNZ-UHFFFAOYSA-N 445.541 4.255 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(Oc3ccccc3C(N)=O)cc2)c1 540627120 ZKHJDBGWDNPQMC-UHFFFAOYSA-N 435.436 4.202 5 20 IIBD O=C1[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCN1c1ccccc1F 540627972 QIBFBELFKVAETB-GOSISDBHSA-N 426.473 4.143 5 20 IIBD CCOC(=O)C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1cccc(Br)c1 541335668 CABACDDMFDWTEU-SFHVURJKSA-N 449.301 4.101 5 20 IIBD CN(C)C(=O)Nc1cccc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)c1 545005037 UUXVYGLUNFBYOB-UHFFFAOYSA-N 446.261 4.092 5 20 IIBD COc1cc(Cc2noc(CCc3cc(F)ccc3Br)n2)ccc1[N+](=O)[O-] 545076501 HTZMFUACTHOUFZ-UHFFFAOYSA-N 436.237 4.264 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC(c2nc(Cc3ccccn3)no2)CC1 545543723 KZGAEYPZKLJVBC-UHFFFAOYSA-N 433.390 4.366 5 20 IIBD COc1cc(OCc2nc(Cc3ccc(F)c(Br)c3)no2)ccc1[N+](=O)[O-] 546376936 JYSXKDBBVKJAOL-UHFFFAOYSA-N 438.209 4.058 5 20 IIBD CC(C)NC(=O)Nc1cccc(-c2noc(-c3ccn(-c4cccc([N+](=O)[O-])c4)n3)n2)c1 546411518 OKJFEVXNSPBUEH-UHFFFAOYSA-N 433.428 4.027 5 20 IIBD O=[N+]([O-])c1ccccc1/C=C\c1nc(-c2cc(C(F)(F)F)ccc2-n2cncn2)no1 546471739 BLXLOKYZKXONKE-YVMONPNESA-N 428.330 4.415 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cc3nnc4n3CCCCC4)cc2)c1 549005619 GYISGMGPRGAMFS-UHFFFAOYSA-N 435.484 4.155 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(F)c(I)c(F)c2)c1 549009664 PVYFBPIPTDZTNT-UHFFFAOYSA-N 448.163 4.129 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1 549036656 XGPVPFAVVFFNHZ-HXUWFJFHSA-N 443.887 4.235 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC1(c2ccc(Br)s2)CCC1 553266584 LHQWBSJWWHRUCU-UHFFFAOYSA-N 445.360 4.356 5 20 IIBD Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 555785550 HJLITMSBORLKAA-UHFFFAOYSA-N 434.290 4.365 5 20 IIBD Cc1cc(CN(C)c2nc(O)c3cc([N+](=O)[O-])ccc3n2)cc(C)c1OCC(F)(F)F 557503981 UZNSSEMYERVRFU-UHFFFAOYSA-N 436.390 4.438 5 20 IIBD C[C@@H]1Cc2ccc(Br)cc2CN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C 564340373 DRAIKMYJDMRRER-GFCCVEGCSA-N 428.290 4.104 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(-c2nc(CC(=O)Nc3cc(C)c(Cl)cc3OC)no2)c1 569855194 YQIBEFYNCUITBZ-UHFFFAOYSA-N 446.847 4.195 5 20 IIBD COCCOc1c(Cl)cc(S(=O)(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cc1Cl 575356623 MWDBUCFRNVNLFW-UHFFFAOYSA-N 449.312 4.344 5 20 IIBD C[C@@H](c1ccc(Br)cc1)N1CCN(c2ncnc3sc([N+](=O)[O-])cc23)CC1 579037596 MKDWTCWZYSLMFX-LBPRGKRZSA-N 448.346 4.245 5 20 IIBD O=C(Nc1cncc(Cl)c1Br)c1cc(Br)cc([N+](=O)[O-])c1 579338240 QBYOWAHHXBBLNW-UHFFFAOYSA-N 435.459 4.421 5 20 IIBD COc1cc(Cc2noc([C@@H]3CN(Cc4ccccc4)CCC3(F)F)n2)ccc1[N+](=O)[O-] 582811439 IKOKLVZVRSGVKP-KRWDZBQOSA-N 444.438 4.202 5 20 IIBD Cc1ccc(-c2csc(NS(=O)(=O)Cc3ccc(F)cc3F)n2)cc1[N+](=O)[O-] 583016197 PEGAYDQMUNKMTL-UHFFFAOYSA-N 425.438 4.247 5 20 IIBD O=C(Nc1cccc(Br)c1Cl)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 583643746 WORIEYPPERNIIN-UHFFFAOYSA-N 426.654 4.306 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCSC4(CCCCC4)C3)n2C[C@H]2CCOC2)c1 583885550 VULQHVODQZXREV-QGZVFWFLSA-N 443.573 4.146 5 20 IIBD CN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cc(I)cc([N+](=O)[O-])c1 602756107 FWDWVNWAKBRYFQ-CQSZACIVSA-N 443.628 4.049 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)c1 604430940 AOFQDNTWXRVDIR-UHFFFAOYSA-N 430.258 4.046 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@H](C)C(=O)N3CCCC[C@H]3C)cc2[N+](=O)[O-])n1 608838708 AUKXBUMPPBCTED-ZIAGYGMSSA-N 448.570 4.030 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 608876951 JCVQHQAAUQZWSW-LBPRGKRZSA-N 436.295 4.211 5 20 IIBD COc1cc(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)c([N+](=O)[O-])cc1OC 609057641 URTJAYMCHZPEEE-UHFFFAOYSA-N 447.875 4.144 5 20 IIBD O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1c[nH]c2ccc(Br)cc12 609113409 KGSIYMGEFMDVCD-UHFFFAOYSA-N 426.230 4.481 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 609310102 VVEFDWFJKDYOJH-QGZVFWFLSA-N 429.231 4.020 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2cccc(CN3CCCCC3)c2)no1 609475193 MGAYFKZOJRYXDO-MRXNPFEDSA-N 435.484 4.122 5 20 IIBD CC[C@@H]1CN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 609531608 YMNMNPZZUHIQLG-HTAPYJJXSA-N 434.496 4.016 5 20 IIBD Cc1cc(S(=O)(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)ccc1[N+](=O)[O-] 609673582 MFPDNQAXWJHXRV-MRXNPFEDSA-N 439.493 4.195 5 20 IIBD O=C(Nc1cc2c(cc1Cl)OCCCO2)c1ccc([N+](=O)[O-])cc1Br 610038642 MDAMPTYUPCBCBK-UHFFFAOYSA-N 427.638 4.424 5 20 IIBD Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c(OC[C@@H]2CCCO2)c1 610041905 LJAUEKUCDRENCG-AWEZNQCLSA-N 435.274 4.476 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)cc1[N+](=O)[O-] 610069725 WDCXGPWFMZTRIY-INIZCTEOSA-N 449.504 4.205 5 20 IIBD COc1cc(CN(C)C[C@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC(F)F 610372488 DWTJBOVNHBPGBN-QGZVFWFLSA-N 435.471 4.159 5 20 IIBD C[C@@H](c1ccccc1)n1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)n1 610746346 ZPUQNKVQKONWAV-ZDUSSCGKSA-N 429.274 4.344 5 20 IIBD COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 614863171 UBAUKVHZXSDBCJ-CYBMUJFWSA-N 442.462 4.011 5 20 IIBD CC(C)(C)OCc1ccc(NC(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 615092373 CGMUALZGORFZTP-UHFFFAOYSA-N 425.485 4.040 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])c1cccc2ccccc12 725936765 JAQNYWPIVVPGKJ-QWHCGFSZSA-N 428.391 4.449 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Br)Nc1cccc2ccccc12 725985938 ZNYNBVJHOHFIFS-UHFFFAOYSA-N 429.226 4.306 5 20 IIBD O=C(COc1ccc(C2SCCCS2)cc1)OCCOc1ccccc1[N+](=O)[O-] 728724134 XCZGNEGFOYEPGV-UHFFFAOYSA-N 435.523 4.465 5 20 IIBD Cc1cc(NC(=O)COC(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1Br 730646784 MGNLLDSQERPEOZ-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD Cc1ccc(-c2nc(C(=O)OC[C@@H]3CCCN3C(=O)c3ccccc3[N+](=O)[O-])cs2)o1 730708921 SSYGNMASPKXTHU-AWEZNQCLSA-N 441.465 4.081 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccccc1COc1cccc(C=O)c1 731750481 ZYXRRUOHNIRVDF-UHFFFAOYSA-N 448.431 4.090 5 20 IIBD C[C@H](OC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1Cl 735149770 VRBLQUDCHLTSLO-JTQLQIEISA-N 445.230 4.380 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1cn(-c2ccccc2Br)nn1 736159488 VKDSTZCLIQLCMR-UHFFFAOYSA-N 436.653 4.152 5 20 IIBD Cc1ccccc1[C@@H]1C[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 738395143 VNEWKMONSKHJHN-UONOGXRCSA-N 439.331 4.232 5 20 IIBD CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 744077302 WDNONOAUIWZOOS-UHFFFAOYSA-N 447.539 4.300 5 20 IIBD CN(CC(=O)N1CCCN(C(=O)OC(C)(C)C)c2ccccc21)c1ccccc1[N+](=O)[O-] 744367770 DVOZUNIYAJNZRF-UHFFFAOYSA-N 440.500 4.209 5 20 IIBD Cc1ccc(-n2cnnc2SCC(=O)OCc2ccc([N+](=O)[O-])cc2F)cc1Cl 746916523 YNJVRHFBCFMIBZ-UHFFFAOYSA-N 436.852 4.112 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 747534538 IIIPHHGPFYCROT-UHFFFAOYSA-N 441.271 4.369 5 20 IIBD CCCOc1ncccc1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 749577200 VXNGTJAAGGVEFD-UHFFFAOYSA-N 428.670 4.125 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N(Cc2ccc(O)cc2)Cc2ccco2)cc1[N+](=O)[O-] 751306763 VPOAHSAXPPHAOO-UHFFFAOYSA-N 436.873 4.246 5 20 IIBD C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1I 751355165 KAEWTOMXIAWPHV-WFASDCNBSA-N 436.249 4.218 5 20 IIBD Cc1c(Br)cc(C(=O)O[C@H](C)C(=O)Nc2c(F)cccc2F)cc1[N+](=O)[O-] 753429552 LMRBVKCDHIBCDB-SECBINFHSA-N 443.200 4.128 5 20 IIBD O=C(NCc1ccc(-n2ccnc2)nc1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 754056889 FQVAHKSPNKIRFZ-UHFFFAOYSA-N 437.525 4.388 5 20 IIBD COCCOc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1Cl 754995175 XVBZXXJOHBMNJJ-UHFFFAOYSA-N 447.644 4.427 5 20 IIBD C[C@H](OC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccccc1C(F)(F)F 755064879 BEUMHUNYXUMXMT-MNOVXSKESA-N 428.338 4.427 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1ccc(C(F)(F)F)cc1Cl 757273242 WVBQGOLKJJDWBA-UHFFFAOYSA-N 436.173 4.175 5 20 IIBD Cc1sc2nc([C@H](C)OC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)nc(O)c2c1C 758733836 XULICTCQNWUVOD-JTQLQIEISA-N 426.454 4.250 5 20 IIBD Cc1cc(F)cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)c1[N+](=O)[O-] 760567755 JKKKXEDVGQUIRG-NRFANRHFSA-N 435.455 4.046 5 20 IIBD O=C(Nc1nccc2ccncc12)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 763341026 LPLGVDIQOWIYAH-UHFFFAOYSA-N 445.401 4.412 5 20 IIBD COc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(I)c1 765018944 KVHVFPLIPDHZLU-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD C[C@H](OC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2)C(N)=O 765363448 NADLZEZJVHRXEB-BXWAGETQSA-N 431.448 4.051 5 20 IIBD O=C(Nc1cccc(Cl)c1)N1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 765480339 PVKXWFAISMILCA-UHFFFAOYSA-N 437.283 4.282 5 20 IIBD CCOC(=O)C[C@@H](OC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccc(F)c(F)c1 766951921 IHXPONIIDCUHPL-BBATYDOGSA-N 425.359 4.353 5 20 IIBD CCc1nc2ccccc2n1C1CCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC1 771629027 UOJFNWNGPFJULU-UHFFFAOYSA-N 431.500 4.060 5 20 IIBD Cc1ncc(CCNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 772723826 SHAISUDDEWQTGS-UHFFFAOYSA-N 444.900 4.238 5 20 IIBD Cc1cc(C(=O)O[C@@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])n2nc(C)cc2n1 774366701 CZPAUACWWQEQAW-KRWDZBQOSA-N 447.289 4.062 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 777963148 HOHLVLQNCYPEGQ-FUHWJXTLSA-N 429.521 4.041 5 20 IIBD O=C(NCc1ccncc1)Nc1cccc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c1 778253326 HDSQDXZISJAGPK-UHFFFAOYSA-N 441.394 4.042 5 20 IIBD C[C@H](OC(=O)c1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1)c1ccccc1[N+](=O)[O-] 784847323 ARRHQVJHZATKMW-RDJZCZTQSA-N 444.488 4.281 5 20 IIBD Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 785866386 CCNGNADWHZFHAP-UHFFFAOYSA-N 432.274 4.119 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC(c2ccccc2Br)CC1 786803319 IGOIWLBLXKEMOP-UHFFFAOYSA-N 439.331 4.145 5 20 IIBD COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Oc1c(Cl)cccc1[N+](=O)[O-] 786860696 HDGJBLGWSZXANJ-SNVBAGLBSA-N 436.269 4.083 5 20 IIBD O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)c1cc(F)c(F)cc1[N+](=O)[O-] 789714269 LDGUGBKNEIWBLF-CQSZACIVSA-N 444.221 4.105 5 20 IIBD CC(=O)Nc1ccc(S(=O)(=O)CCCOc2cc(Cl)c(Cl)cc2[N+](=O)[O-])cc1 794730321 UBAWDTGEBOWIBY-UHFFFAOYSA-N 447.296 4.103 5 20 IIBD CC(C)c1[nH]nc(C(=O)O[C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)c1[N+](=O)[O-] 796253004 PVGKGRKVUGMJKD-VIFPVBQESA-N 439.350 4.428 5 20 IIBD COc1ccc(-c2nc(COC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)cs2)cc1OC 798127894 VLLYLVKQYHYTNE-YHYXMXQVSA-N 426.450 4.492 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H](C)C(c1ccccc1)c1ccccc1 800597095 KKAGQOFLKDLLJP-INIZCTEOSA-N 435.455 4.318 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccccn1)C(C)C 800895973 RYJOIDQZAFLEIK-INIZCTEOSA-N 439.253 4.030 5 20 IIBD CC(C)(C)OC(=O)NC[C@]1(C)CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 801575092 WIAUMKTXRWZRCV-SFHVURJKSA-N 428.327 4.094 5 20 IIBD CON(CC1CCOCC1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 801603683 GEFISRIJRNLKDE-HXUWFJFHSA-N 433.892 4.218 5 20 IIBD CN(C[C@@H]1C[C@H](F)CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(=O)OC(C)(C)C 803555040 LAFXWWANPHHBPI-ZFWWWQNUSA-N 437.493 4.229 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F 813241698 APSYHHSYUFYJPU-AWEZNQCLSA-N 439.802 4.093 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](N[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC12CCC2 813880015 ZVQJRFPJKKXBJC-OKZBNKHCSA-N 433.553 4.187 5 20 IIBD Cc1nc(C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)c(C)o1 814503211 BOUWGIYGWIWERU-SFHVURJKSA-N 429.816 4.390 5 20 IIBD CN(C)C1CCN(c2ccc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])cc2F)CC1 815369880 OBOJGEDYPSGOOT-UHFFFAOYSA-N 428.508 4.181 5 20 IIBD O=C(OCCOc1cccc([N+](=O)[O-])c1)C1CCN(c2noc3ccc(Cl)cc23)CC1 815372268 DZTNHNNMXSFTTF-UHFFFAOYSA-N 445.859 4.228 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)/C=C\c2ccccc2OC(F)(F)F)cccc1[N+](=O)[O-] 914942424 SWJOMPPNKPKQJY-BSYHEUMXSA-N 438.358 4.385 5 20 IIBD O=C(NCc1ccnc(Oc2ccccc2)c1)c1ccc(Br)c([N+](=O)[O-])c1 915605387 BAKCYFCMBUGEEI-UHFFFAOYSA-N 428.242 4.475 5 20 IIBD CCCCOc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1OC 916446862 MBVXURYSEMEWOA-AWEZNQCLSA-N 431.445 4.490 5 20 IIBD CCCCN1C(=O)C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]1c1ccc(OC)cc1 916756873 GEUKKCVCNPORLG-UTKZUKDTSA-N 429.448 4.071 5 20 IIBD O=C(Nc1ccc(Cl)nc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 920927587 RRAYORCPJCFFIZ-UHFFFAOYSA-N 429.786 4.016 5 20 IIBD Cc1cc(-c2nnc(-c3nn(Cc4ccccc4)c(=O)c4ccccc34)o2)ccc1[N+](=O)[O-] 1322026569 ZUPBBGYWPRSMPE-UHFFFAOYSA-N 439.431 4.378 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1326003093 BKYZWAAEPNVBGE-UHFFFAOYSA-N 448.520 4.248 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1nnc(COc2ccccc2F)o1 1341306945 GJIUKDFARZCSBO-UHFFFAOYSA-N 426.326 4.369 5 20 IIBD Cc1cc(Cl)ccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C2 1792738581 ZMCBGNXLVFPTKH-MUJYYYPQSA-N 445.878 4.261 5 20 IIBD Cc1cc(C)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2cccc([N+](=O)[O-])c2)c(C)c1 1793945460 MPHUDTXPKCECHB-KOUNCHBCSA-N 449.551 4.405 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C2CC2)cc1)c1ccc([N+](=O)[O-])cc1F 1800730008 ASEWECXRBDHWDE-REPLKXPHSA-N 437.471 4.177 5 20 IIBD C[C@@H](CC(=O)N1CCC2(CCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)CC1)c1ccccc1 1804654354 WHKOQZPQDQJSCQ-SFHVURJKSA-N 439.512 4.226 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])[nH]n1)c1cccs1 1816345092 FBZABDRJULWJGT-OAHLLOKOSA-N 443.460 4.138 5 20 IIBD CC(C)(C)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2cc(F)ccc2[N+](=O)[O-])[nH]n1 1816761864 QHAKXWNQTHRLMD-GOSISDBHSA-N 445.495 4.128 5 20 IIBD CSc1ccc(C(=O)OCc2nnc(-c3ccc(Br)o3)o2)cc1[N+](=O)[O-] 9620636 JADQJTKHAMTZGH-UHFFFAOYSA-N 440.231 4.079 5 20 IIBD Cc1ccccc1Nc1nc(N)nc(CSc2nc3ccc([N+](=O)[O-])cc3s2)n1 10318477 VYAPCRVBVCKCQS-UHFFFAOYSA-N 425.499 4.316 5 20 IIBD CCCOc1c(Cl)cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC 12251813 FHDDJFGDCGVMPH-UHFFFAOYSA-N 436.848 4.150 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2sc3cccc(F)c3c2C)c([N+](=O)[O-])c1 17150438 KGYKOCJTFGTVJE-UHFFFAOYSA-N 432.429 4.451 5 20 IIBD CC(C)COCCCNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 20958070 AKEMZWKMEHHUAJ-UHFFFAOYSA-N 433.892 4.293 5 20 IIBD COC(=O)c1ccc(OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c([N+](=O)[O-])c1 22222679 XJJMTFIZZXGWKF-UHFFFAOYSA-N 433.631 4.359 5 20 IIBD C[C@@H](NC1(CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCCC1)c1ccccc1 78775992 WXNDJFZHPHOSSV-GOSISDBHSA-N 433.512 4.174 5 20 IIBD COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 109166057 HHTVOVGXPHPYPC-OAQYLSRUSA-N 439.512 4.025 5 20 IIBD O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cc(Br)ccc3OC(F)F)C2)nc1 112656681 ZBBQJVZHSJINMG-ZDUSSCGKSA-N 443.248 4.040 5 20 IIBD Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)N2CCCC2)o1 116593808 IMYBAOKINBZRTF-QFIPXVFZSA-N 440.544 4.299 5 20 IIBD O=C(CCNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N1CCCCCC1 238049261 HRHQGRIDAQOMRA-UHFFFAOYSA-N 447.539 4.330 5 20 IIBD O=[N+]([O-])c1cc(Cl)cnc1Sc1nnc(-c2cnccn2)n1-c1ccc(Cl)cc1 301737322 IFMBNDSIFSAZFK-UHFFFAOYSA-N 446.279 4.486 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C3)cs1 301962002 SKTYYWZHGDXDGQ-UHFFFAOYSA-N 435.552 4.054 5 20 IIBD O=c1c(Cl)c(N2CCC(Nc3ccc(F)cc3)CC2)cnn1-c1ccc([N+](=O)[O-])cc1 301998855 VDSCENRGDJYZQG-UHFFFAOYSA-N 443.866 4.014 5 20 IIBD C[C@H](Sc1nnc(NCCc2cccs2)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1 302913040 QUDKKFFRLBQAGM-NSHDSACASA-N 435.556 4.282 5 20 IIBD O=C(Nc1ccnn1[C@H]1CCCc2ccccc21)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 303155146 UCNCMBXCRDANBL-NRFANRHFSA-N 428.452 4.155 5 20 IIBD O=C(Nc1ncc(C2CCCCC2)s1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 426184333 SBAGFCNPTYNHIO-UHFFFAOYSA-N 428.514 4.229 5 20 IIBD O=C(NCCOc1ccc(Br)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 426285207 GHOWDXLLWZZPKY-UHFFFAOYSA-N 434.290 4.110 5 20 IIBD COc1cccc([C@@H](CC(=O)O)NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1OC 426799607 IXFPOQSNQGTDLE-GOSISDBHSA-N 426.425 4.178 5 20 IIBD CC(C)(C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1)c1ccccc1[N+](=O)[O-] 429813668 JTRLMLLCYJHASK-OAHLLOKOSA-N 446.345 4.278 5 20 IIBD C[C@H]1C[C@@H](N(C)C(=O)c2ccc(Br)cc2[N+](=O)[O-])CCN1Cc1ccccc1 430600284 HDSFTMPYEVWMRZ-YJBOKZPZSA-N 446.345 4.482 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 431023500 HUTRYHDLLZAVLM-INIZCTEOSA-N 443.656 4.364 5 20 IIBD CN(C)[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1Cl 431155567 AGECXJNZFVACJI-INIZCTEOSA-N 426.698 4.043 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NC1(C(=O)O)CCC1 431798974 JOAZEVIQHIXHOA-QINSGFPZSA-N 437.477 4.259 5 20 IIBD Cc1ccc(S(=O)(=O)N[C@@H](CCn2cc([N+](=O)[O-])c(C3CC3)n2)c2ccccc2)cc1 436205540 UENUVIXUFBXYLD-FQEVSTJZSA-N 440.525 4.087 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 436457709 NJCCBCWEYSEMIO-XHDPSFHLSA-N 428.659 4.166 5 20 IIBD O=C(Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1)c1cc([N+](=O)[O-])ccc1O 436973716 UPZCPUXGURXZCZ-UHFFFAOYSA-N 431.857 4.198 5 20 IIBD COc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1OC(F)F 437270091 QRVMLWHTFAJVTC-UHFFFAOYSA-N 434.317 4.496 5 20 IIBD CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 437731574 XUVLBTDZGBTJPF-LJQANCHMSA-N 434.443 4.182 5 20 IIBD CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@@H]2CCCC[C@H]12 439985353 ULINYOCVTWCZNR-CENDIDJXSA-N 444.576 4.026 5 20 IIBD C[C@H](c1nc(Cc2ccc(OCC(F)(F)F)nc2)no1)c1ccc([N+](=O)[O-])cc1F 446012827 UOPMRRUUKFPXSZ-JTQLQIEISA-N 426.326 4.196 5 20 IIBD Cc1sc(NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)N3C)nc1-c1cccc([N+](=O)[O-])c1 446026381 RBJYECNFXPBADM-NSHDSACASA-N 437.481 4.056 5 20 IIBD CS(=O)(=O)c1ccc(CNc2ccc([N+](=O)[O-])cc2OC(F)F)cc1C(F)(F)F 447674568 DYPMNPRXOYUDML-UHFFFAOYSA-N 440.346 4.231 5 20 IIBD Cc1cc(C)cc(C[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2I)c1 460496361 YNZXQDPMYNCRGO-CYBMUJFWSA-N 438.265 4.177 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 460841447 UNOFQJMRUQIGPF-UHFFFAOYSA-N 445.884 4.230 5 20 IIBD O=C(C[C@@H](Cc1ccccc1)c1ccccc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 461082442 GHFPZROXWWXPQY-FGZHOGPDSA-N 430.508 4.419 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)[C@@H](C)c1ccccc1Br 464057257 XJKAPZOBWLIOAU-ZDUSSCGKSA-N 434.290 4.132 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCc2cc(Cl)ccc2OC(F)F)cc1OC 465294639 MKUHDMNBQCOXQH-UHFFFAOYSA-N 430.791 4.187 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(I)ccc1C 466511243 ABLUBAOPULDBTG-UHFFFAOYSA-N 426.210 4.159 5 20 IIBD Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N3CC(Oc4ccc([N+](=O)[O-])cc4)C3)c12 470884842 SANFERFDRCHHLZ-UHFFFAOYSA-N 449.511 4.184 5 20 IIBD CCOc1cc(C(=O)N[C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)c([N+](=O)[O-])cc1OC 471693097 MADSTBGQIAVNCV-NHCUHLMSSA-N 428.485 4.116 5 20 IIBD COC(=O)COc1ccc(CNCc2ccc(-c3ccc4c(c3)CCO4)cc2)cc1[N+](=O)[O-] 474375790 SSAQZZWYJMHNSY-UHFFFAOYSA-N 448.475 4.038 5 20 IIBD C[C@@H](NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccc([N+](=O)[O-])cc1 474413285 OQGWPJNGMODHSK-OAHLLOKOSA-N 429.473 4.386 5 20 IIBD CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)[C@H]1c1ccccc1OC 475303322 HPKBGCHLAXFYKX-HTAPYJJXSA-N 440.500 4.025 5 20 IIBD Cn1cc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(-c2ccc(Cl)s2)n1 475963879 AVAKKUGMHIBZJN-UHFFFAOYSA-N 446.916 4.394 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NC[C@H](CCO)c3ccccc3)cc2[N+](=O)[O-])n1 476084251 LQXLNRMQPDKPPZ-KRWDZBQOSA-N 443.550 4.407 5 20 IIBD COc1cc(Br)c(OCCn2nc(C)c([N+](=O)[O-])c2C)cc1Br 476504573 JHMVWGZUZWXDGH-UHFFFAOYSA-N 449.099 4.021 5 20 IIBD CC[C@H](C)n1ncc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1C1CC1 477565793 DMPZHCPETXGYNR-YWZLYKJASA-N 439.516 4.191 5 20 IIBD COC(=O)c1cnc(NCc2ccccc2-c2ccc(Cn3cccn3)cc2)c([N+](=O)[O-])c1 478254324 HKNRFCZJDRGOBP-UHFFFAOYSA-N 443.463 4.300 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(CN2CCOCC2)cc1 479382144 XLOHQOVGIWMJNO-UHFFFAOYSA-N 443.569 4.105 5 20 IIBD Cc1cc(NC(=O)NCc2cccc([N+](=O)[O-])c2C)n(-c2ccc(C(F)(F)F)cn2)n1 479560561 QYPBQPWJTIWCMY-UHFFFAOYSA-N 434.378 4.133 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H](C)C(=O)Nc2ccccc2)cc1 480175520 CRNKBHMHLOOHKC-HNNXBMFYSA-N 435.436 4.153 5 20 IIBD COc1cc(CCNC(=O)N(Cc2ccccc2F)CC(C)C)c([N+](=O)[O-])cc1OC 480571521 KIUBIYOBPBAAEM-UHFFFAOYSA-N 433.480 4.161 5 20 IIBD O=C(Nc1nc2cc(F)c(Br)cc2s1)c1cc2c(c([N+](=O)[O-])c1)OCO2 481295396 WIDBEBMOFWHMOD-UHFFFAOYSA-N 440.206 4.087 5 20 IIBD CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C[C@]2(CCCOC2)O1 482839718 UJWKRIFCTPLLKJ-DEOSSOPVSA-N 439.512 4.007 5 20 IIBD CN1CCC[C@@H]2CN([C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c3ccccc3)CC[C@@H]21 483486573 PIXHHNDKCHFUQX-VOQZNFBZSA-N 442.947 4.344 5 20 IIBD Cn1nc([N+](=O)[O-])cc1C(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 483907776 FBGCOAGSYJIYJY-UHFFFAOYSA-N 437.456 4.438 5 20 IIBD O=C(Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1)c1ccccc1 485304157 PNVAMWKSYYGVSK-UHFFFAOYSA-N 441.390 4.379 5 20 IIBD O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)c1cc([N+](=O)[O-])ccc1OC(F)F 485628652 GYJXOVUNXGCZCC-UHFFFAOYSA-N 439.268 4.123 5 20 IIBD O=C(Nc1ccn(CCc2ccncc2)n1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 486232577 CECKRUWAEIDPPK-UHFFFAOYSA-N 442.479 4.293 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c(C)c([N+](=O)[O-])c1 486855070 FRKNWFRPFPMOSN-SFHVURJKSA-N 425.445 4.085 5 20 IIBD COc1ccc(-n2ccnc2SCC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 488038430 ABVPQGZINLWKQI-OAHLLOKOSA-N 426.498 4.067 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1ccc(O[C@H]2CCOC2)cc1 488482458 VEFQLVDWACRBFZ-KRWDZBQOSA-N 425.363 4.103 5 20 IIBD C[C@@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(Cc2c(Cl)cccc2[N+](=O)[O-])C1=O 488734649 RIRGAOYZLYGASJ-KRWDZBQOSA-N 427.766 4.234 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC2(CC1)OCCc1ccsc12 492349618 GRMVOLGWCODJRG-CQSZACIVSA-N 426.498 4.331 5 20 IIBD Cc1c([C@@H](C)NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 497830890 FEWKVXVMUCCALN-LLVKDONJSA-N 447.264 4.482 5 20 IIBD Nc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1-c1ccc(Cn2cccn2)cc1 499902533 VWTPZSJUBFNTOJ-UHFFFAOYSA-N 427.464 4.019 5 20 IIBD COc1cc(CNc2cc(C[S@@](C)=O)ccc2Cl)c([N+](=O)[O-])cc1OCC(F)F 502615013 KRLBSJJVKDJJGQ-GDLZYMKVSA-N 448.875 4.391 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1nnc(-c2ccccc2Cl)o1)C(C)C 502755232 IPADZUMBDLDCRE-UHFFFAOYSA-N 443.891 4.456 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@H](Oc2ccccc2Cl)C1 504627269 FAZPQRDKVWDBMJ-QGZVFWFLSA-N 426.860 4.118 5 20 IIBD CC(=O)Nc1ccc(Br)cc1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 506145533 WUHCYTCPHHPRLE-UHFFFAOYSA-N 435.278 4.147 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1 506376100 AQKFEBZVWJNCJW-UHFFFAOYSA-N 425.828 4.295 5 20 IIBD C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 506454785 KZFAPHGIEPUKSC-ZDUSSCGKSA-N 448.882 4.065 5 20 IIBD CC(C)OCCCNC(=O)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 506879602 CYYUMEXIOHFAOC-UHFFFAOYSA-N 445.585 4.467 5 20 IIBD CC(C)N(Cc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1)C[C@H]1CCCCO1 507331537 PLKLCNHHFWAKSU-JOCHJYFZSA-N 427.501 4.332 5 20 IIBD Cc1nc(C)n(Cc2cccc(NC(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)c2)n1 510012297 XVJSTBGCXATJQD-UHFFFAOYSA-N 444.289 4.175 5 20 IIBD COc1cc(C)c(CN(C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1OC 510849896 BVHYPQJQCZUKAR-UHFFFAOYSA-N 425.388 4.186 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(OC(F)F)cc2OC(F)F)c1C 511134413 JKPHRQLWDZURBK-UHFFFAOYSA-N 438.355 4.215 5 20 IIBD COc1cc(Cc2noc(Cc3c[nH]c4cc(Cl)ccc34)n2)c([N+](=O)[O-])c(OC)c1 514990767 AIQAJTJGWVRRMO-UHFFFAOYSA-N 428.832 4.311 5 20 IIBD CC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 517654250 GTCZHNPHLUWJLR-UHFFFAOYSA-N 447.538 4.280 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)Nc2cnc3n[nH]c(C)c3c2)cc1[N+](=O)[O-] 517811051 GSDODCRLSWNUPN-UHFFFAOYSA-N 447.476 4.380 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1NC(=O)c1ccncc1 520767983 MVMMQXOMVUQTIE-UHFFFAOYSA-N 446.872 4.005 5 20 IIBD CC[C@H](C)[C@H](NC(=O)c1csc([N+](=O)[O-])c1)C(=O)N1CCC(Cc2ccccc2)CC1 521712269 IEHCQBLLBLRGPF-KKSFZXQISA-N 443.569 4.282 5 20 IIBD COCCN(Cc1ccc(F)cc1Cl)C(=O)c1ccc([N+](=O)[O-])cc1Br 524145328 GAMAQWSIWUPOQB-UHFFFAOYSA-N 445.672 4.439 5 20 IIBD Cc1cc(NC(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)ccc1Oc1cccnc1 524808568 QBCDFDVLFHTYCR-UHFFFAOYSA-N 448.479 4.168 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCCc2ccc(F)c(F)c2)cc1[N+](=O)[O-])c1ccccn1 526063416 FNHQMXHGWSIBOT-AWEZNQCLSA-N 426.423 4.414 5 20 IIBD COc1ccc(CC(=O)Nc2ccc(OCc3cccnc3)c(Cl)c2)cc1[N+](=O)[O-] 531330420 JJZHPVVEJUIXAP-UHFFFAOYSA-N 427.844 4.412 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@H](c1cccc(Cl)c1)c1ccccn1 531861905 SIZMISIYIDNGJZ-HXUWFJFHSA-N 426.860 4.111 5 20 IIBD Cc1ccccc1-n1nc(C)c(CN(C)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c1C 532928383 OAHXRZKKUSZDRO-UHFFFAOYSA-N 449.511 4.136 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)c2cccc(F)c2I)cc1[N+](=O)[O-] 533077057 QZZJDUVDMHCEIT-SNVBAGLBSA-N 428.201 4.138 5 20 IIBD COc1cc(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)ccc1NS(C)(=O)=O 533212090 YNCKXMRNYJPRHL-UHFFFAOYSA-N 433.511 4.316 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CN2CCCCC2=O)CC1 537469433 REXPYJWSAHZJMW-UHFFFAOYSA-N 433.574 4.352 5 20 IIBD COc1ccccc1COC1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 537685485 LSOZSSZLWZXWQN-OAHLLOKOSA-N 447.919 4.265 5 20 IIBD O=C1CCCN1C[C@H](NCc1ccc([N+](=O)[O-])cc1F)c1cccc(C(F)(F)F)c1 538121766 XQBWDGQNFUGHJY-SFHVURJKSA-N 425.382 4.206 5 20 IIBD CCOc1ccc([C@H](C)N[C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)cc1[N+](=O)[O-] 539041048 JWEMVUJMRUTSFK-ARBPTSGCSA-N 433.936 4.369 5 20 IIBD CO[C@H](c1ccccc1F)[C@H](C)Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl 539393297 UAEDWBHUDDKIFY-BUXKBTBVSA-N 432.839 4.121 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCc2ccc(C(C)=O)c(C)n2)c([N+](=O)[O-])c1 540710691 HIESLKZAABEYFD-UHFFFAOYSA-N 447.447 4.131 5 20 IIBD Cc1ccc(SCC(F)(F)F)c(NC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 541106079 PHDIJDKFKSNDIL-UHFFFAOYSA-N 441.431 4.235 5 20 IIBD C[C@H](C(=O)Nc1nccn1Cc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1F 541728166 XNAPYMJRTGUFQK-LBPRGKRZSA-N 447.264 4.483 5 20 IIBD Cc1c(Br)cc(C(=O)N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] 542559594 DXGLBCXZIODRCW-MAUKXSAKSA-N 437.265 4.455 5 20 IIBD O=c1ccc([N+](=O)[O-])cn1CCNC1(c2noc(C3CCCCC3)n2)CCCCCC1 543558934 NBFOWJYCLRHTKB-UHFFFAOYSA-N 429.521 4.027 5 20 IIBD C[C@@H](C(=O)Nc1cc(F)ccc1NC(=O)c1ccccn1)c1ccc([N+](=O)[O-])cc1F 544435894 SIPSKLCDEZMPCH-GFCCVEGCSA-N 426.379 4.263 5 20 IIBD O=[N+]([O-])c1ccc2c(ccn2Cc2nc(Cc3ccc(Br)c(F)c3)no2)c1 545145493 MXAMQNQZFHTTCZ-UHFFFAOYSA-N 431.221 4.473 5 20 IIBD O=C(c1ccc(F)cc1)N1CCC[C@H](c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)C1 545852727 JZPXGXGTRLTHHB-HNNXBMFYSA-N 449.442 4.209 5 20 IIBD COc1ccc(OCCCc2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)cc1 546445906 ZFSCSYMZNRGFOD-UHFFFAOYSA-N 448.273 4.351 5 20 IIBD Cc1cc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)nn1[C@@H](C)C1CC1 546448802 FUZAGILIMGHCQZ-NSHDSACASA-N 432.278 4.474 5 20 IIBD COc1cc(Cc2noc([C@H](C)SCC(=O)Nc3ccc(C)cc3)n2)ccc1[N+](=O)[O-] 547177457 XTAGILNTRYUIBU-AWEZNQCLSA-N 442.497 4.319 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cn2C)cc1Oc1ncccc1Br 548070805 HJHXFZOYAIULNF-UHFFFAOYSA-N 431.246 4.444 5 20 IIBD Cn1ccnc1[C@H](NC1CCN(c2nc3ccccc3s2)CC1)c1cccc([N+](=O)[O-])c1 552045443 GXWCZEYBKZOSPK-OAQYLSRUSA-N 448.552 4.286 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cc2-c2nc(CCOC)no2)c1 554907191 BSJDKHLUBOSWLH-UHFFFAOYSA-N 446.847 4.138 5 20 IIBD COc1cnccc1CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 556798026 VESLYCKHFHBEMY-UHFFFAOYSA-N 426.860 4.194 5 20 IIBD CN1CCC(Oc2ccc(CNC(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])cc2)CC1 557182542 WMDOLXMRLNCDDL-UHFFFAOYSA-N 446.507 4.060 5 20 IIBD CCCCOC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCCO2)CC1 568774231 AZDMUXNDMTZKGV-OAQYLSRUSA-N 443.548 4.208 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 570948980 NJRNLVKRBMSVLA-LBPRGKRZSA-N 446.301 4.052 5 20 IIBD COc1cc(Cc2noc(CSc3nc4ccccc4o3)n2)c([N+](=O)[O-])c(OC)c1 574145234 DIKBJLGBYVLJIF-UHFFFAOYSA-N 428.426 4.019 5 20 IIBD Cc1ccccc1[C@@H](c1noc(CSc2ccc(C(N)=O)cc2[N+](=O)[O-])n1)C(C)C 578937923 QWVKNIIQCPZTIY-IBGZPJMESA-N 426.498 4.465 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1SC 582089399 DQXBDLMDQXGKIP-QAPCUYQASA-N 434.489 4.457 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@](CO)(Cc4ccc(F)cc4)C3)cs2)c1 583780196 FHDNFDVNVRCBRB-QFIPXVFZSA-N 427.501 4.285 5 20 IIBD O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 590184429 PPZOQSZBRVTKLQ-NSHDSACASA-N 429.345 4.148 5 20 IIBD Cc1csc(CCNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n1 603558604 AULBSKGYMMMECC-UHFFFAOYSA-N 447.520 4.114 5 20 IIBD COCCn1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)nc(C)c1C 603597299 IVCLJSVLHRLUNS-GFCCVEGCSA-N 446.451 4.193 5 20 IIBD CC(C)NC(=O)Nc1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 604075912 BTNUUGTWRGDPEJ-UHFFFAOYSA-N 440.378 4.318 5 20 IIBD C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 608890618 HTVJHZADLUWUPV-JTQLQIEISA-N 449.236 4.293 5 20 IIBD COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)CNc2ccccc2[N+](=O)[O-])cc1 609129882 OJXVKWHNCTUTHK-UHFFFAOYSA-N 435.480 4.253 5 20 IIBD O=C(NCCCc1cccc(Br)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 609410794 ZESHHGLXQCXNCA-UHFFFAOYSA-N 446.345 4.323 5 20 IIBD C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1C(F)(F)F 609501524 PVTQBMPSFPCMIA-FZMZJTMJSA-N 441.431 4.157 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccc(OC2CCCCC2)nc1 609724552 ZNLYBHYPXXVSEJ-UHFFFAOYSA-N 433.892 4.440 5 20 IIBD CCN(CC)C(=O)N1CCC(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 609755062 ASFBNTHGASPBCF-UHFFFAOYSA-N 440.500 4.499 5 20 IIBD O=C([C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 609841652 XCAOLQVAHGCJHV-BPQIPLTHSA-N 449.536 4.362 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3cc(CCc4ccccc4)[nH]n3)cc2)c(C)c1[N+](=O)[O-] 610124937 LECAMBNLLVPAKK-UHFFFAOYSA-N 444.495 4.217 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)Nc1c(-c2ccc(Br)cc2)nc(C)n1C 610182873 GDTSZFLVTHJCFM-UHFFFAOYSA-N 445.273 4.327 5 20 IIBD CC[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)c1ccccc1OCC(=O)NC 619527524 HADQTDUZPAHPGU-GOSISDBHSA-N 438.459 4.484 5 20 IIBD CCC(CC)(C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccc(Cl)cc1 726838256 HDRVMDONLXDIPN-UHFFFAOYSA-N 434.876 4.497 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1 726916226 OIQFQGVGJVZMBB-LFIXQJEJSA-N 431.851 4.420 5 20 IIBD CC[C@@H](OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 727965394 TWURGFXEHYIREU-QGZVFWFLSA-N 435.274 4.172 5 20 IIBD CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 728067272 AMSMCJBZBRSHPK-UHFFFAOYSA-N 438.528 4.469 5 20 IIBD O=C(Nc1ccccc1C(=O)NCCCc1nccs1)c1ccc([N+](=O)[O-])cc1Cl 729247098 CFLHUUAGZYDEOM-UHFFFAOYSA-N 444.900 4.320 5 20 IIBD CC(=O)c1ccc(N2CCC(OC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)CC2)cc1 730415569 SIGDJYKELROGLG-INIZCTEOSA-N 428.510 4.490 5 20 IIBD COc1cccc(C2(CNC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)CCCC2)c1 730984477 BAFSLJWEFVWTQX-UHFFFAOYSA-N 427.457 4.370 5 20 IIBD C[C@H](C(=O)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1F 731340019 LFUDXBABECRWNC-FUHWJXTLSA-N 428.460 4.466 5 20 IIBD O=C(OCc1csc(-c2ccc(Cl)cc2)n1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 731526356 QAICOKKFGPNRKO-UHFFFAOYSA-N 441.856 4.309 5 20 IIBD O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 734881380 KRNPJLWLDOIAFR-AWEZNQCLSA-N 437.279 4.497 5 20 IIBD Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)OC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 735147578 GNIULVFMWWHJBS-HUUCEWRRSA-N 434.876 4.135 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1cccc(C(=O)OCc2ccccc2)c1 735437175 XTVOEZCCOLWSLN-UHFFFAOYSA-N 438.867 4.464 5 20 IIBD O=C(NCCNc1ccccc1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 735932164 YLIKPFIBOXKHQP-UHFFFAOYSA-N 436.434 4.058 5 20 IIBD COC(=O)Nc1ccc(CCNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1 737412343 GRMVSOIBNWBRKG-UHFFFAOYSA-N 428.323 4.355 5 20 IIBD COc1cccc(COC(=O)c2ccc([N+](=O)[O-])cc2Br)c1OC(F)F 739575079 GGAMFJQSZPOBSG-UHFFFAOYSA-N 432.173 4.324 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC[C@H](O)c1cc(Cl)cc(Cl)c1 740483145 OEDKKDRIGHVGFF-SFHVURJKSA-N 426.300 4.257 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@@H](O)c2ccccc2Cl)cc1[N+](=O)[O-])c1ccccn1 740932495 JZDQSVVJNURLFI-LHSJRXKWSA-N 440.887 4.280 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CC[C@H](CSc2ccccc2)C1 742424652 QJEFQPONPIKRII-ZDUSSCGKSA-N 428.482 4.210 5 20 IIBD O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1cnn(-c2ccccn2)c1C(F)(F)F 746064758 ICIXVZQKQAJKGM-UHFFFAOYSA-N 426.738 4.205 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CCN(c2ccccc2F)CC1 749408805 IQCQVLJWPDEFNV-UHFFFAOYSA-N 442.672 4.112 5 20 IIBD C[C@H](C(=O)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1cnn(C)c1 750556347 AYQWWKCAEWSIDI-ORAYPTAESA-N 442.859 4.008 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@H](C)OC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 751644656 PZYSINWFSNLCFO-LBPRGKRZSA-N 438.889 4.228 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc(-c2ccccn2)ccc1Cl 754996836 DYWBDSFYKOKOIM-UHFFFAOYSA-N 425.828 4.414 5 20 IIBD C[C@H]1CCCCN1C[C@@H]1CCCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 755029314 RCAMMCXVPGQOGP-GJZGRUSLSA-N 439.354 4.476 5 20 IIBD C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c2ccccc2S1 755978711 JOEXKCSPULLSJA-JTQLQIEISA-N 429.317 4.047 5 20 IIBD Cc1cccc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1Br 757813753 NBXOBAUHWUOBHD-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD CC(C)n1ncc(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)c1N 758179798 XLSPXVPSRICOMQ-UHFFFAOYSA-N 447.854 4.469 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)cc2F)C[C@H](C)O1 758465291 QLOXFBWBSSMBLT-KBPBESRZSA-N 426.448 4.010 5 20 IIBD Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2Br)ccc1-n1nnnc1C(C)C 759107030 ZBDWOZQKYOHEGZ-UHFFFAOYSA-N 445.277 4.017 5 20 IIBD Cc1cccc(-c2nc(CC(=O)O[C@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)cs2)c1 759955277 XALGEWPUBLRGOO-ROUUACIJSA-N 426.498 4.493 5 20 IIBD Cc1ccc(Nc2cccc(C(=O)OCc3coc(-c4ccc([N+](=O)[O-])cc4)n3)c2)nn1 760520965 GIRGEJAEYOTDRR-UHFFFAOYSA-N 431.408 4.449 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1noc(-c2ccc(-n3cnc4ccccc43)nc2)n1 761970458 SLNSPYUBKSXQOF-UHFFFAOYSA-N 427.424 4.033 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 764388376 AIJXTIFGHLBFFD-FYYLOGMGSA-N 434.496 4.289 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCC[C@@H](CC(=O)OC(C)C)C2)c1=S 766029416 ALZGZGNDZJIGFB-INIZCTEOSA-N 447.561 4.020 5 20 IIBD COc1ccc2c(c1)CN(S(=O)(=O)c1csc([N+](=O)[O-])c1)[C@H](c1ccccc1)C2 768847162 DPNSODLRVVKIPJ-IBGZPJMESA-N 430.507 4.153 5 20 IIBD CCCCS(=O)(=O)c1ccc(C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 768906350 BBHSAKNUAMDWNM-UHFFFAOYSA-N 444.465 4.181 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H](O)c2c(Cl)cccc2Cl)cc1SC 771712503 NATOAEYPAGWXDM-XYZCENFISA-N 445.324 4.484 5 20 IIBD O=C(COC(=O)c1sc(Br)cc1[N+](=O)[O-])Nc1cccc2ccccc12 773604541 KFRXYLCBEZOUEH-UHFFFAOYSA-N 435.255 4.368 5 20 IIBD Cc1c(C(=O)N(Cc2ccccn2)c2ccc(N(C)C)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 776388430 QQRVUCXYBLSLAC-UHFFFAOYSA-N 449.467 4.428 5 20 IIBD CC[C@H](C)[C@@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 781623440 RLCRPFWUTTUCOS-RNODOKPDSA-N 425.445 4.216 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccnn1Cc1ccc(Cl)c(F)c1 781652513 YWINGRIMHPXQRV-UHFFFAOYSA-N 447.810 4.112 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)C(C)(C)CC(=O)c1ccc(Cl)cc1 781751944 MEFIONGNMKVDJW-UHFFFAOYSA-N 432.860 4.338 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)Cc2nc(O)c3ccccc3n2)cc1OC 782037740 LUZHILHJDISMFS-HNNXBMFYSA-N 440.500 4.309 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)OCc1nc2ccccc2n1C(F)F 786785425 CGISEYOZBBLQTG-UHFFFAOYSA-N 428.351 4.010 5 20 IIBD Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 787118841 ZDNZUSIMQSWKRN-UHFFFAOYSA-N 430.873 4.074 5 20 IIBD COc1ccc([C@H](NC(=O)OC(C)(C)C)C(=N)NOCc2ccc([N+](=O)[O-])cc2F)cc1 789632099 IRKAIAHCPYOPQZ-SFHVURJKSA-N 448.451 4.007 5 20 IIBD O=C(N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C1(Cc2ccccc2F)CC1 791245246 DPYHRARJBHDUET-UHFFFAOYSA-N 433.277 4.404 5 20 IIBD COc1cc(C(=O)Oc2cc(F)c(F)cc2C)c([N+](=O)[O-])cc1OCc1cscn1 791421549 FJTYJJMIDLKWRP-UHFFFAOYSA-N 436.392 4.445 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1nc2ccccc2s1 792985490 PVEHVJCRMJQSTQ-GFCCVEGCSA-N 426.498 4.318 5 20 IIBD Cc1cccc([C@H]2CCN(CN3Cc4cc(Br)c([N+](=O)[O-])cc4C3=O)C2)c1 795452979 XLUPUDZNRSSSOO-HNNXBMFYSA-N 430.302 4.069 5 20 IIBD COc1ccc(F)c2[nH]c(C(=O)O[C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cc12 796199144 DIXZJHPTDRVSQI-JTQLQIEISA-N 426.360 4.192 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)C1(Cc2ccccc2Br)CC1 796385495 IZUOSZDFCSGIID-UHFFFAOYSA-N 448.269 4.290 5 20 IIBD C[C@H](Oc1ccc2ccccc2c1)C(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 796672813 QNUKMZNNVQAONL-KRWDZBQOSA-N 435.480 4.370 5 20 IIBD O=C(Nc1cc(Cl)c(Cl)cc1F)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 798579871 GQYNWIHIYOFHSM-QMMMGPOBSA-N 430.194 4.171 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC(c2ccc(OC)c(C)c2)=NO1 801376797 NQAWTNVJHRVPSU-QGZVFWFLSA-N 443.525 4.337 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N(Cc1ccc(F)cc1Cl)CC1CC1 807297888 NUYDMEIXODOYGT-UHFFFAOYSA-N 440.258 4.418 5 20 IIBD O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(Br)c([N+](=O)[O-])c1 808840847 VYSPOIRKUBOFSF-UHFFFAOYSA-N 448.233 4.111 5 20 IIBD CNC(=O)OC[C@H]1CCCCN1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 809263717 DMCWCPVYZRIYNH-QGZVFWFLSA-N 429.498 4.097 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(-c3cccc4c3CCCN4C(=O)OC(C)(C)C)n2)n1C 809478601 QJUUONKMNNUZTP-UHFFFAOYSA-N 440.460 4.041 5 20 IIBD CCOC(=O)c1c(COC(=O)CSc2ccccc2[N+](=O)[O-])nc2ccccc2c1C 819041750 WGUFNOBEAZBBLJ-UHFFFAOYSA-N 440.477 4.464 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1cn(Cc2ccccc2)nc1-c1cccnc1 897493112 RGHWZLOLBFQEND-UHFFFAOYSA-N 435.390 4.432 5 20 IIBD Cc1onc(-c2ccc(F)cc2)c1C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 914924751 BRHRLBNWHBJLLV-UHFFFAOYSA-N 433.779 4.146 5 20 IIBD CC1CCN(C(=O)c2ccc(NC(=O)c3ccc(Br)c([N+](=O)[O-])c3)cc2)CC1 918172258 BZSRGZSLZFRWBD-UHFFFAOYSA-N 446.301 4.482 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)c1cc(-c2ccccc2)on1)c1cccc([N+](=O)[O-])c1 918632502 IHLZORZVBSKKIH-LJQANCHMSA-N 449.463 4.492 5 20 IIBD COc1cc(C(=O)OCc2nc3cc(Cl)ccc3n2C)c([N+](=O)[O-])cc1OC(F)F 918928937 YHXDLKJDCCWGAG-UHFFFAOYSA-N 441.774 4.102 5 20 IIBD C[C@H](Cn1cccn1)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 920457838 DDVTZPBXRDHLQT-LJQANCHMSA-N 447.539 4.069 5 20 IIBD COc1ccc(C)cc1-n1ccc(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1 920911037 VZVOYHXWBPACST-AWEZNQCLSA-N 449.423 4.066 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1-c1nnc(CN2CCN(Cc3ccccc3Cl)CC2)o1 1117272999 NCMFGUQRMXYUMS-UHFFFAOYSA-N 448.310 4.269 5 20 IIBD O=C(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1sc2cc(Cl)ccc2c1Cl 1317877803 FWSVMSXDBLLMKE-UHFFFAOYSA-N 431.278 4.235 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2C[C@H]3CCCC[C@@]32c2ccccc2)cc1[N+](=O)[O-] 1319178124 PLYLPCZLUZJNBD-WZONZLPQSA-N 449.536 4.416 5 20 IIBD COc1ccc(-c2nnc(Cn3ccc4cc([N+](=O)[O-])ccc43)o2)cc1Br 1322421222 PPXPVARGCLSXKF-UHFFFAOYSA-N 429.230 4.419 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@@H]3CCc4ccoc4C3)CCC2)cc1)c1ccc([N+](=O)[O-])o1 1785748913 XAORSAGRWWQPMK-MRXNPFEDSA-N 449.463 4.334 5 20 IIBD Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)[C@@H]4CC4(F)F)cc3)CCC2)cc1[N+](=O)[O-] 1789136861 RCMGHBBVPBELFD-SFHVURJKSA-N 443.450 4.235 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4F)cc3)CCC2)ccn1 1790622261 PCNAEBXTZPXTES-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)NC1(c2ccc(NC(=O)C3(F)CCC3)cc2)CCC1 1792053550 FXRJCYKPZMYOGL-UHFFFAOYSA-N 425.460 4.164 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(F)c1Cl)c1cc(F)cc([N+](=O)[O-])c1 1800458186 XREOUOSVLPJDMB-QDMKHBRRSA-N 449.841 4.092 5 20 IIBD CCCCC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cc(F)ccc1[N+](=O)[O-] 1804314901 FLNLCPJMIARIKK-QLIIJSOBSA-N 433.524 4.131 5 20 IIBD Cc1ccc(CC(=O)N2CCC3(CCCN(C(=O)[C@@H]4CC=CCC4)C3)CC2)cc1[N+](=O)[O-] 1805402225 XIKRMQUDMKBBHU-OAQYLSRUSA-N 439.556 4.033 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC2CC2)CC1 1826605643 SMDMENQMAWLGAR-FQEVSTJZSA-N 431.508 4.076 5 20 IIBD Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)c(F)c1 1830466117 FSKXGDHNUUSNIZ-IBGZPJMESA-N 443.475 4.182 5 20 IIBD CC(C)Cc1ccc(C(=O)N2CCCC23CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C3)cc1 1845465328 YRCFUQNJWAEKHI-UHFFFAOYSA-N 439.487 4.063 5 20 IIBD CCCCn1c(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O 3562938 FEZVVBJGFOTKLD-AWEZNQCLSA-N 426.498 4.224 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(NC(=O)c2ccco2)cc1 11146305 LRRHOFDZNHBAHA-CQSZACIVSA-N 425.466 4.237 5 20 IIBD Cc1ccc(C2=NN(C(=O)COc3ccc(C=O)cc3[N+](=O)[O-])[C@@H](c3ccco3)C2)cc1 22123540 VJILWBMSVVJQEP-LJQANCHMSA-N 433.420 4.065 5 20 IIBD C[C@@H](OC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)N[C@H](C)c1cc2ccccc2o1 22243743 XWIHMZMITDMMNZ-ZIAGYGMSSA-N 437.452 4.338 5 20 IIBD COc1cc(CN2CCCN(Cc3ccccc3C)CC2)c([N+](=O)[O-])cc1OC(F)F 30154124 BINYTQVHHFFXKF-UHFFFAOYSA-N 435.471 4.221 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 60190470 GUVBILFPYXQDRU-MRXNPFEDSA-N 426.231 4.284 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccccc2F)cc([N+](=O)[O-])c1C 60487639 RCQFUESTHUKQLG-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD C[C@@H](NC(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1)c1cccc([N+](=O)[O-])c1 64268033 CYQCPMASOWXHRM-QGZVFWFLSA-N 442.479 4.403 5 20 IIBD CN1CCN(C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 71809102 HQAQCODYBWKROL-QGZVFWFLSA-N 439.459 4.221 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(-c3ccccc3Cl)s2)c(Cl)c1 79108541 ZYLMVGBBJYFELN-UHFFFAOYSA-N 431.282 4.221 5 20 IIBD Cc1ccc(-c2csc(NC(=O)[C@H](NC(=O)c3cccs3)C(C)C)n2)cc1[N+](=O)[O-] 247980520 GHENSPLKYXUWPW-QGZVFWFLSA-N 444.538 4.481 5 20 IIBD CN(c1ccc(Oc2nc3sccn3c2[N+](=O)[O-])cc1)S(=O)(=O)c1ccc(F)cc1 248061302 QBTXBYYEZDIJFQ-UHFFFAOYSA-N 448.457 4.061 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N[C@@H]1CCCc2c1cnn2Cc1ccccc1 301364429 PNDZRCNRUGWOMG-LJQANCHMSA-N 433.468 4.286 5 20 IIBD COc1ccc(CCNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1OC(F)F 426282016 PPZXLDHSWIFUFA-UHFFFAOYSA-N 435.427 4.122 5 20 IIBD CC(C)[C@@H](NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C(=O)O 427319701 HFMIUXLHFKRICQ-UMDONVSZSA-N 439.493 4.361 5 20 IIBD Cc1[nH]c(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(C)c1C(=O)OC(C)C 427595118 SYHGNLJWOLEZSQ-UHFFFAOYSA-N 427.379 4.054 5 20 IIBD C[C@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H](c2cccc(C(F)(F)F)c2)O1 428936892 SKCTXVQCMPOVFB-ORAYPTAESA-N 438.402 4.442 5 20 IIBD COc1cccc(C(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c2cccc(OC)c2)c1 430689882 DYENGINMSPFZLJ-UHFFFAOYSA-N 436.464 4.205 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2ncc(C)s2)CC1 432442687 PSNOREQYRWYOJP-UHFFFAOYSA-N 449.554 4.035 5 20 IIBD CCCCS(=O)(=O)Nc1ccc(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1 432952606 YHXVEFAFYSXJAI-UHFFFAOYSA-N 434.518 4.193 5 20 IIBD COC(=O)C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(Cl)c(F)c1 433537842 KPJNJNJZUYEXIM-KRWDZBQOSA-N 449.866 4.022 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCN(C(=O)c2cc3ccccc3s2)CC1 434007417 UVUQZARISVFCCF-UHFFFAOYSA-N 435.461 4.154 5 20 IIBD O=C(CN1CCC(OCC2CCCC2)CC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 434904078 CQZZGWBBELUWHJ-UHFFFAOYSA-N 444.557 4.328 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 435368353 BDSNTTWXJNTYSN-IBGZPJMESA-N 439.903 4.073 5 20 IIBD C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)Cn1cc([N+](=O)[O-])c(C2CC2)n1 436211880 SSWZGJWTGBKLNE-INIZCTEOSA-N 447.495 4.141 5 20 IIBD Cc1sc(CC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])nc1C(C)C 436317270 KDDMXZKINLNAQD-INIZCTEOSA-N 433.530 4.225 5 20 IIBD O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCCN1C(=O)c1ccc(O)c([N+](=O)[O-])c1 436965872 UNMFKKOHLNSQLP-HNNXBMFYSA-N 438.267 4.241 5 20 IIBD Cc1csc(-c2cccc(NC(=O)C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)c2)n1 439099333 QBKWSQKDLOKTLO-UHFFFAOYSA-N 448.407 4.205 5 20 IIBD CC(C)n1cnnc1-c1ccccc1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 439655215 YBIQWRQBFLVCCO-UHFFFAOYSA-N 429.864 4.495 5 20 IIBD C[C@](O)(CNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C1CC1 440558129 JHJQJWVBJUPGSN-DTPJYZGHSA-N 437.521 4.412 5 20 IIBD COCCOc1ccc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])cn1 440765413 WLVVEXOQZHMOGF-UHFFFAOYSA-N 425.466 4.419 5 20 IIBD Cc1cc([C@@H]2CN(C(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)CCO2)ccc1F 444285127 GVIQNLDIDUDFSI-NRFANRHFSA-N 434.442 4.482 5 20 IIBD O=C(CCSc1ccccc1Br)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444639676 ZPDZGRWXJRXHEI-UHFFFAOYSA-N 435.303 4.032 5 20 IIBD CSc1ccc(C(=O)Nc2ncnc3c2c(C)c(C)n3C[C@H]2CCCO2)cc1[N+](=O)[O-] 445960045 NPBSANCFDFBWNU-OAHLLOKOSA-N 441.513 4.110 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NCCc1ccccc1[N+](=O)[O-] 460505962 YJVSPRBHMKHQCF-UHFFFAOYSA-N 444.466 4.488 5 20 IIBD Cc1ncn(-c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2)c1C 461199325 QQXMSKQZWKLGQP-UHFFFAOYSA-N 440.403 4.217 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CC[C@H](n2cc(Cl)cn2)C1 461629955 VBDFINUAYGOLGA-SFHVURJKSA-N 425.876 4.144 5 20 IIBD CCCCN1Cc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc34)c2C1 463519625 VBHLIGYBQCIGJP-UHFFFAOYSA-N 426.498 4.060 5 20 IIBD CSc1cc(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(Cl)cc1Cl 472068879 RKTLUXXQKDBKMP-SNVBAGLBSA-N 427.313 4.345 5 20 IIBD Cc1ccc(Nc2ccccc2NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 476764810 GZNXXHSDFUVLKV-UHFFFAOYSA-N 441.465 4.219 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccc(OC(F)F)c2cccnc12 479257436 NGRKCTJDDBWPDB-UHFFFAOYSA-N 440.362 4.310 5 20 IIBD CCc1ccc([C@H](NCc2ccc(S(=O)(=O)CC)s2)c2ccc([N+](=O)[O-])cc2)o1 479450550 WLXFMPNVXJRNDO-HXUWFJFHSA-N 434.539 4.485 5 20 IIBD COc1cc(CN[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F 481192543 SRTLSDNSYMSONQ-LPHOPBHVSA-N 449.498 4.248 5 20 IIBD CCN(Cc1ccccc1)C(=O)[C@H](C)Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC 481350747 VHZWPYYBXRIDQZ-INIZCTEOSA-N 439.541 4.403 5 20 IIBD C[C@H](CC(N)=O)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 482278052 QLJOPELMYNHAHB-OVGFGYAMSA-N 444.491 4.014 5 20 IIBD CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)c1cc([N+](=O)[O-])nn1C 484106585 HKRYYZSOOVNKFR-UHFFFAOYSA-N 434.861 4.139 5 20 IIBD CC(C)(C)[C@H](COc1ccccc1F)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 486444247 HNXIHSLSBIBTIK-FQEVSTJZSA-N 426.448 4.143 5 20 IIBD COC(=O)c1cc(NC(=O)N(Cc2ccc(O)cc2)Cc2ccco2)c(C)c([N+](=O)[O-])c1 486862826 FCYJPBLILDWUAQ-UHFFFAOYSA-N 439.424 4.223 5 20 IIBD CCOC(=O)[C@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)C1CC1 487271239 UWFYLBSESPUZLA-IBGZPJMESA-N 432.860 4.166 5 20 IIBD O=C(CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1)Nc1ccc(OCc2ccccc2)cc1 489021614 ZDIXBSFSZHHKSK-UHFFFAOYSA-N 449.511 4.036 5 20 IIBD Cc1ccc(-n2cnc3c2CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C3)cc1 489437824 ZSGMTOQCLCCDSL-UHFFFAOYSA-N 441.285 4.050 5 20 IIBD O=C(NC[C@@H](CO)Cc1ccccc1C(F)(F)F)Nc1ccc([N+](=O)[O-])cc1Cl 489590133 YXVVBZQAOZWFQG-NSHDSACASA-N 431.798 4.240 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1nc(-c2cccc(F)c2)no1 489925845 AZZFOMYZUIOICU-LBPRGKRZSA-N 446.460 4.013 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N1CC[C@@H](Sc2cccc(Cl)c2)C1 490389593 KBEBXRDWAKTAII-OAHLLOKOSA-N 431.905 4.201 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)c([N+](=O)[O-])c1 490892698 HSXVKOIESVLCHQ-ZIAGYGMSSA-N 449.891 4.111 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)cc1[N+](=O)[O-] 493183595 UCRLNTXSMARINK-UHFFFAOYSA-N 428.514 4.381 5 20 IIBD C[C@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccc2c(c1)CC(=O)N2 494409453 BMYCBRLVHZRDGD-HNNXBMFYSA-N 431.448 4.159 5 20 IIBD CCOc1ccc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1CO 494801296 QTAPQUXEGDFFPM-OAHLLOKOSA-N 436.468 4.306 5 20 IIBD CC(=O)Nc1cccc([C@H](C)NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 497818926 AEMBEQFAEBOYLH-LBPRGKRZSA-N 438.406 4.251 5 20 IIBD CCN(Cc1cccc(Br)c1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 498942158 UUBXIZHOQBTMBH-UHFFFAOYSA-N 429.274 4.205 5 20 IIBD C[C@@]1(CN[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)CCOC1 500250655 AMKXIEWVZRWULA-QUCCMNQESA-N 448.317 4.053 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(-c3nc([C@H]4CN(Cc5ccccc5)CCO4)no3)cs2)c1 500801671 PJMSNSWIKOQBFD-LJQANCHMSA-N 449.492 4.342 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 501929161 PNUPHIYJXRJXBY-UHFFFAOYSA-N 436.443 4.105 5 20 IIBD CCOc1ccc([C@@H](NC(=O)c2c([N+](=O)[O-])c(C)nn2C)c2cccc(Cl)c2)cc1 502355532 QFMYCNVHVSQAFC-GOSISDBHSA-N 428.876 4.208 5 20 IIBD C[C@@H](NC(=O)[C@@](N)(c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccccc1[N+](=O)[O-] 503964928 QVKMSESNYVXCSB-HWPZZCPQSA-N 435.324 4.207 5 20 IIBD O=C(CCc1ccc2ccccc2n1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 508069525 RMODCCOGUWSWCS-UHFFFAOYSA-N 432.402 4.323 5 20 IIBD COc1cc(CNc2cn(Cc3ccccc3)nn2)ccc1OCc1ccc([N+](=O)[O-])cc1 508491071 TZQGUATULBOVKJ-UHFFFAOYSA-N 445.479 4.434 5 20 IIBD O=[N+]([O-])c1ccc(CNS(=O)(=O)c2c(Cl)cccc2Br)c(Cl)c1 509298741 RLZDXJHKXJQWLN-UHFFFAOYSA-N 440.102 4.143 5 20 IIBD COc1cc(C(=O)N[C@H]2CCCc3occc32)c([N+](=O)[O-])cc1OCc1cscn1 509877319 JSKOVQYZQSAZEK-HNNXBMFYSA-N 429.454 4.039 5 20 IIBD COc1cc(CN(C)C[C@H]2OCCc3ccccc32)c([N+](=O)[O-])cc1OCC(F)(F)F 511633190 ZRIXOHBEHIQSMI-HXUWFJFHSA-N 440.418 4.290 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N(C)Cc3cnc(C)s3)c([N+](=O)[O-])c2)c(C)c1 515554383 ACTHCVLYVBQCHE-UHFFFAOYSA-N 446.554 4.414 5 20 IIBD CC1CCN(c2ccc(C(=O)NC[C@@H]3CCN(c4ccc(F)cc4)C3)cc2[N+](=O)[O-])CC1 516250609 FWMBHXWRZGCSNI-SFHVURJKSA-N 440.519 4.227 5 20 IIBD CC1CCN(c2ccc(C(=O)NC[C@H](C)N3CCc4sccc4C3)cc2[N+](=O)[O-])CC1 520001136 WGHXEDRBLSCVRC-KRWDZBQOSA-N 442.585 4.069 5 20 IIBD CN1CC[C@@H](CNC(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C1 520339187 GFJQWYLDHGSEGQ-BOFQVRIASA-N 436.537 4.203 5 20 IIBD Cc1cc(S(=O)(=O)Nc2nc3c(s2)C[C@@H](c2ccccc2)CC3)ccc1[N+](=O)[O-] 522437382 WLCDZHPPPCXVBH-HNNXBMFYSA-N 429.523 4.433 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1nc(/C=C\c2ccccc2)cs1 522694415 JJKYKMHPFHRBCJ-KTKRTIGZSA-N 442.884 4.244 5 20 IIBD CCOc1cc(NC(=O)N[C@H]2CCCN(c3ccccc3)C2)c([N+](=O)[O-])cc1OCC 523785658 UVOFHMVFHXUPHZ-INIZCTEOSA-N 428.489 4.183 5 20 IIBD O=C(CN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1)N1CCCCC1 523887612 VWVPTRYYZKHZKJ-UHFFFAOYSA-N 445.903 4.063 5 20 IIBD C[S@](=O)Cc1cc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])ccc1Cl 523955065 SLQFGKJLCAGTDU-MHZLTWQESA-N 431.297 4.188 5 20 IIBD CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1 531505818 CVAGYPSTPLFOLO-CYBMUJFWSA-N 448.317 4.201 5 20 IIBD O=C(NCc1ccc(F)cc1)c1ccc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cc1 534984038 VPJOQCSUNXRZTP-UHFFFAOYSA-N 432.411 4.398 5 20 IIBD CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H](CN1CCN(C)CC1)c1ccccc1 535063584 ANWIGXFZPGRMQZ-NHCUHLMSSA-N 428.602 4.044 5 20 IIBD O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 535561299 MOLVSDZBDHVUKY-MRXNPFEDSA-N 443.463 4.115 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N[C@@H]3CCO[C@@]4(CCOC4)C3)cc2[N+](=O)[O-])cc1 536580457 GFEARFVAWWMGJY-VGSWGCGISA-N 428.510 4.122 5 20 IIBD COc1ccc(C[C@@H](NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c2ccc(OC)cc2)cc1 537040692 NRQGCAJYODYUCR-XMMPIXPASA-N 449.507 4.148 5 20 IIBD Cc1cc(F)c(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)c(I)c1 537804850 YKOIEPDLNXRNDU-UHFFFAOYSA-N 443.216 4.011 5 20 IIBD O=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1cc([N+](=O)[O-])ccc1OC(F)F 538711070 YHAJIVJCLBFLDR-UHFFFAOYSA-N 425.351 4.158 5 20 IIBD COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1 540094662 VONOCPHWDDJSKI-XIKOKIGWSA-N 437.290 4.180 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2ncnc3sccc23)CC1 540450506 NGXVOZHEEGTWQN-UHFFFAOYSA-N 443.554 4.062 5 20 IIBD COc1ccc(-c2nn(CCOc3ccc(OC)cc3[N+](=O)[O-])c(=O)c3ccccc23)cc1 541124080 RQFVXRFIGMUVQJ-UHFFFAOYSA-N 447.447 4.068 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(CCc2ccccc2)Cc2cccnc2)c1 541825756 LLJALNNLRQBIEU-UHFFFAOYSA-N 425.510 4.040 5 20 IIBD CN(CCOc1cccc(CNCc2ccc([N+](=O)[O-])cc2Cl)c1)C1CCOCC1 543399732 UWSCASXXQXFYMZ-UHFFFAOYSA-N 433.936 4.028 5 20 IIBD COc1ccc([C@H](C)NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1Br 544428688 PBXPGPNGLUEPBE-QWRGUYRKSA-N 425.254 4.486 5 20 IIBD C[C@H](C(=O)NCCCc1ccc(Br)cc1F)c1ccc([N+](=O)[O-])cc1F 544447793 RHNAKJCHXHPCTK-NSHDSACASA-N 427.245 4.488 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2Cc2nc(Cc3cccnc3)no2)cc1 551036774 YWYNDMJQPIDLHS-UHFFFAOYSA-N 438.447 4.407 5 20 IIBD CCOC(=O)c1cc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c(F)cc1C 551680527 KMMRCFFBYKPRPX-UHFFFAOYSA-N 425.210 4.234 5 20 IIBD CCc1ccc([C@H]2CCCN(C(=O)c3cc(OC)c(OCCOC)cc3[N+](=O)[O-])C2)cc1 552383262 YAKOVSIOFOAIIM-IBGZPJMESA-N 442.512 4.211 5 20 IIBD C[C@@]1(c2ccccc2)CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 553179719 JDWXUSPVTDQBCN-FDDCHVKYSA-N 441.553 4.231 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2c2nc(Cc3nccc4ccccc34)no2)ccc1[N+](=O)[O-] 571923163 MFRBBYQCMRWOSA-OAQYLSRUSA-N 443.463 4.403 5 20 IIBD COC(=O)c1cc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c(C)cc1Br 577915532 FSWICNOEBHWJET-UHFFFAOYSA-N 435.274 4.369 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1 578646387 KKIMRLMYUSSUOZ-UHFFFAOYSA-N 446.507 4.274 5 20 IIBD COc1cc(OC)c(-c2noc(-c3ccc4[nH]c5ccccc5c(=O)c4c3)n2)cc1OC 580637056 MLHWPWXWTNOJHA-UHFFFAOYSA-N 429.432 4.424 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CNc2ccc(-c3csnn3)cc2)c1 581221216 WUWVFIQDOHELAE-UHFFFAOYSA-N 438.250 4.330 5 20 IIBD C[C@H](Oc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(F)(F)F 582687817 LXAMPZOTBWAYEX-NSHDSACASA-N 441.387 4.273 5 20 IIBD CCc1ccc(NC(=O)Cc2noc(-c3cc([N+](=O)[O-])cc(Br)c3C)n2)cc1 584376699 CUWIWRKJMLDXNZ-UHFFFAOYSA-N 445.273 4.459 5 20 IIBD COc1ccc(Cl)cc1NC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 603643661 BGQLORHVYXDWMO-OAHLLOKOSA-N 435.864 4.461 5 20 IIBD CC(=O)Nc1ccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c(C(F)(F)F)c1 603659711 PQJRKFJHXAORKM-UHFFFAOYSA-N 433.346 4.010 5 20 IIBD CCOC(=O)c1c(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)sc2c1CC[C@H](CC)C2 603941519 JCWSTLNQABEPEK-NSHDSACASA-N 446.481 4.329 5 20 IIBD O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCC[C@H](OCC(F)(F)F)C1 604176477 PKYKEVZZPYSHFZ-KRWDZBQOSA-N 437.418 4.390 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCC[C@@H](CCC(N)=O)C3)cc2[N+](=O)[O-])cc1 608906032 UPKDUUIIHGFYEW-INIZCTEOSA-N 427.526 4.172 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCC[C@H](CNC(=O)C(C)C)C3)c([N+](=O)[O-])c2)cc1 608973537 KMVYBGLNRGHULY-GOSISDBHSA-N 438.528 4.144 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)cc([N+](=O)[O-])c1 609021246 HMDNNFXKMLQZDJ-UHFFFAOYSA-N 432.845 4.196 5 20 IIBD CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@H](c1cccnc1)c1ccc(F)c(F)c1 609151599 GVUODGPXDNEUCS-QFIPXVFZSA-N 427.407 4.285 5 20 IIBD COc1cc([C@@H](C)NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)ccc1OCC(C)C 609489965 COUJXUCGHLDRBR-CQSZACIVSA-N 439.468 4.383 5 20 IIBD CCCC(=O)Nc1nc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2s1 609661280 AQWIJHCLRAISLT-UHFFFAOYSA-N 434.499 4.052 5 20 IIBD CC(C)(C)C1CCC(c2cc(NC(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)n[nH]2)CC1 609827479 PFSUSZDSUXHUND-UHFFFAOYSA-N 448.545 4.294 5 20 IIBD CCc1ccc([C@H]2COCCN2C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 609869075 APBWKEUZNOVHGX-QGZVFWFLSA-N 441.406 4.171 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1CN(C)C(=O)c1cccs1 609984932 KWFTZYKOJFQKET-UHFFFAOYSA-N 445.522 4.038 5 20 IIBD COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 610159577 FRKNQAUZJSBSDR-CYBMUJFWSA-N 432.860 4.080 5 20 IIBD Cc1cccc(NC(=O)COc2ccc(CCNC(=O)c3cc(C)ccc3[N+](=O)[O-])cc2)c1 610226135 MNDMEEXEDFLLGC-UHFFFAOYSA-N 447.491 4.202 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NCc2cccc([N+](=O)[O-])c2)c1 610258264 IETAZRMWGJFZJJ-UHFFFAOYSA-N 446.573 4.228 5 20 IIBD C[C@H]1CN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H](C)S1 610300644 DJZNIUSHIPFFQQ-CALCHBBNSA-N 436.537 4.342 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1Cc2cccc(Br)c2C1 681151425 ZRFNHTNVWJFONM-UHFFFAOYSA-N 433.305 4.460 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Oc1cccc2ccc(N3CCCC3)nc12 725829237 FBPLFOKQJXPZEW-UHFFFAOYSA-N 433.873 4.164 5 20 IIBD CC(C)c1nnc(COC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)o1 726995838 WOFSXCWLWPVSBI-UHFFFAOYSA-N 442.394 4.080 5 20 IIBD CCN(C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)[C@H]1CCCC[C@H]1C 727323405 XNFWRJLXLWTOPF-IERDGZPVSA-N 446.525 4.403 5 20 IIBD COc1ccc(NC(=O)c2ccc(NC(=O)Cc3ccc(OC)c([N+](=O)[O-])c3)cc2)cc1 727659846 VUAJGLHFQLARSE-UHFFFAOYSA-N 435.436 4.046 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Oc1cccc(N2CCCC2=O)c1 728312768 VXYJHNBNDSGMCM-UHFFFAOYSA-N 440.399 4.438 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)nc2)cc1SC 728474751 AAKSUBMGFSJPSX-UHFFFAOYSA-N 434.474 4.320 5 20 IIBD COc1ccc(NC(=O)COC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 730615754 WJJGHPYEJHTVQQ-KGLIPLIRSA-N 439.251 4.196 5 20 IIBD CSc1ccc(NC(=O)[C@H](C)OC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1 735150133 YIDNBDDHNVQHAW-LBPRGKRZSA-N 438.889 4.309 5 20 IIBD C[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ncc(-c2ccccc2)o1 741322759 DIOSFZPPQOISQZ-ZFWWWQNUSA-N 439.399 4.046 5 20 IIBD C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 742137376 APXOUPWABFVWBR-QGZVFWFLSA-N 442.947 4.367 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1c(F)cccc1-n1cccn1 743258260 ACSSOZIHMAXIKZ-UHFFFAOYSA-N 431.232 4.027 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)ccc1[N+](=O)[O-] 743267669 XZWHSCBJNHBSPO-CQSZACIVSA-N 435.502 4.290 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[C@@H](C)Oc1ccc(F)c(F)c1 743607647 HWFLZGNUNJJELT-CYBMUJFWSA-N 446.410 4.128 5 20 IIBD Cc1ccccc1CN(C)C(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 744554695 TZJSADCFCLIXQI-SFHVURJKSA-N 439.512 4.097 5 20 IIBD COC[C@@H](C)n1c(C)cc(C(=O)COC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1C 747123406 HVCBJFFDTYCOKB-GFCCVEGCSA-N 442.390 4.279 5 20 IIBD COc1ccccc1NC(=O)[C@H](OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(C)C 747125693 PIUFBGUOLKUNRD-QGZVFWFLSA-N 440.374 4.442 5 20 IIBD CCOC(=O)[C@@H](Cc1ccccc1)OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 747955746 XMDFZQZXWYSGMV-GOSISDBHSA-N 426.450 4.050 5 20 IIBD Cc1c(C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cnc2ccccc12 748922281 PDSOJNFODSSPFG-UHFFFAOYSA-N 433.342 4.266 5 20 IIBD CCOC(=O)C[C@H](c1ccccc1)C1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 750094196 YOHLATVPNRAGQW-PKTZIBPZSA-N 426.513 4.077 5 20 IIBD COc1cc(C(=O)OCc2cc(Cl)ccn2)c([N+](=O)[O-])cc1OCc1cscn1 751167262 HPBCQAMXHKSGJS-UHFFFAOYSA-N 435.845 4.044 5 20 IIBD O=C(CCc1ncc(-c2ccc(F)cc2F)o1)OCc1nc2cc([N+](=O)[O-])ccc2o1 751643002 KZVKYTQMBLEMGS-UHFFFAOYSA-N 429.335 4.345 5 20 IIBD C[C@H](OC(=O)c1c(F)ccc([N+](=O)[O-])c1F)C(=O)N[C@H](C)c1cccc2ccccc12 752560234 VZUKQSYLZAYMKS-OLZOCXBDSA-N 428.391 4.449 5 20 IIBD O=C(Nc1cccc(CCC(F)(F)F)c1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 753714411 SZYPVBMIIMGURD-ZDUSSCGKSA-N 439.365 4.220 5 20 IIBD Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2Br)ccc1OC1CCOCC1 753824980 KZBROOOVAXXJPX-UHFFFAOYSA-N 435.274 4.476 5 20 IIBD O=C(N[C@H]1CCOc2c1ccc(Cl)c2Cl)c1cc([N+](=O)[O-])ccc1SCCO 754741975 OMAZHRPTRCWOGI-AWEZNQCLSA-N 443.308 4.240 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N(Cc1ccccc1)C[C@@H]1CCCO1 754967815 JBJDGACIYWFJOG-HNNXBMFYSA-N 437.265 4.318 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N[C@@H](CCO)C1CC1 757080675 GIBYJVRQPNFWEP-LYDJUCFBSA-N 437.521 4.412 5 20 IIBD O=C(CCCCNC(=O)c1cccc([N+](=O)[O-])c1Br)OCc1ccccc1 759092781 SBDGOTHNPYDPKB-UHFFFAOYSA-N 435.274 4.001 5 20 IIBD CCO[C@@H](C)c1nc(CN2CCN(c3ccc([N+](=O)[O-])cc3OC(F)F)CC2)cs1 760551989 MLYXVZXQFDEAKO-ZDUSSCGKSA-N 442.488 4.072 5 20 IIBD CC(C)(C)OC(=O)N1CCC(Cc2noc(Cc3ccc([N+](=O)[O-])cc3Cl)n2)CC1 761754797 HGKARNUFKXHFSM-UHFFFAOYSA-N 436.896 4.412 5 20 IIBD CCOC(=O)Nc1ccc(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 762601478 CIQSIXQIRDNKGI-GFCCVEGCSA-N 426.385 4.131 5 20 IIBD O=C(COc1ccccc1C(=O)OCCc1ccccc1[N+](=O)[O-])Nc1ccccc1F 762696039 QYEPNZZAZGWKNG-UHFFFAOYSA-N 438.411 4.151 5 20 IIBD C[C@H](C(=O)OCc1nc(-c2cccc(Br)c2)no1)c1cccc([N+](=O)[O-])c1 763405897 MZTRXNODDQHWFO-NSHDSACASA-N 432.230 4.254 5 20 IIBD O=C(O[C@@H]1CCCN(c2ccccc2F)C1=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 763676377 IXUFNNLECPXHAE-GOSISDBHSA-N 441.440 4.210 5 20 IIBD COc1cc(C2SCCS2)ccc1OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 764158194 FAMJOBBFOKSUAA-UHFFFAOYSA-N 443.506 4.487 5 20 IIBD CS(=O)(=O)c1cccc([C@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c2ccccc2)c1 764279731 LSRXLAFOOMEXCL-HXUWFJFHSA-N 444.896 4.171 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 764586735 VRLUOARPCHJDJX-GJZGRUSLSA-N 437.562 4.472 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)OC(C)(C)C)C1 765112620 GFLIEEPAFFWIPY-KOUHRCEDSA-N 445.560 4.315 5 20 IIBD C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 768541197 GEUJNLKKALZMMV-HNNXBMFYSA-N 427.892 4.177 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)c1ccc(Br)c([N+](=O)[O-])c1)OC(C)C 770084712 NTYYISBFEPRXPK-GOSISDBHSA-N 437.290 4.262 5 20 IIBD COc1ccc(C2(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)CCOCC2)cc1 770321058 YPPPTKAKRFZIQR-UHFFFAOYSA-N 435.274 4.053 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ccoc2Br)cc1)c1cccc([N+](=O)[O-])c1 770820508 RKZNLVBGZBRBBJ-UHFFFAOYSA-N 431.198 4.422 5 20 IIBD Cc1ccc(C[C@@H](NS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c2ccccn2)cc1 771754701 CMIVKVGDHLJHJI-LJQANCHMSA-N 429.473 4.008 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)c1sc(N2CCCC2)nc1Cl 775889961 NFMOEYPFRBBALL-UHFFFAOYSA-N 425.894 4.449 5 20 IIBD CC(C)(C)OC(=O)NC1(CC(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])CCC1 776134532 CTEBEXMUEMKGLH-FQEVSTJZSA-N 441.484 4.460 5 20 IIBD COc1cc2ccncc2cc1OS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 778069877 UQKXPJOVRCEEIE-UHFFFAOYSA-N 429.237 4.226 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 778074553 RODCLXLFIVWWAW-MEDUHNTESA-N 443.244 4.342 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccnc(SC(C)(C)C)c2)c([N+](=O)[O-])c1 778863108 JOPQRVLLONDHBV-LBPRGKRZSA-N 433.486 4.073 5 20 IIBD Cc1cc(Br)ccc1CC(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 778907287 ZXDMCRVVPYWWLG-UHFFFAOYSA-N 432.230 4.002 5 20 IIBD CC[C@@H]1C[C@H](OC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)CCO1 779303378 OFKVTIXDCCLKIR-IAGOWNOFSA-N 426.469 4.006 5 20 IIBD O=C(CCC[S@](=O)c1ccc(Br)cc1)OCc1ccc([N+](=O)[O-])c(F)c1 783699947 XMEFQEXTOUYVBE-SANMLTNESA-N 444.278 4.128 5 20 IIBD CC(=O)NCc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])cc(C)c3F)n2)s1 788127807 UZHGHUVVMUDRNH-UHFFFAOYSA-N 434.474 4.116 5 20 IIBD CC1(N(Cc2ccc3c(c2)OCO3)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCCC1 788445033 HGRGYIUTZNXRAL-UHFFFAOYSA-N 427.413 4.207 5 20 IIBD Cc1c(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cnn1-c1ccccc1 791174224 JNCNDWPSTFNKIV-UHFFFAOYSA-N 441.285 4.050 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OC[C@H]2CC3(CCC3)C(=O)O2)cc1 791323288 XFFDPKGEFNLRSB-QGZVFWFLSA-N 427.409 4.038 5 20 IIBD O=C(Cn1c(Cc2ccccc2)nc2ccccc21)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 791551347 CMMGQXJPUOPHLB-UHFFFAOYSA-N 446.419 4.187 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCC1=CCN(C(=O)OC(C)(C)C)CC1 794164686 CPFPZADGQZFZDT-HNNXBMFYSA-N 435.546 4.149 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)OC[C@H]2CCC[C@@H](O)C2)cc1[N+](=O)[O-] 795233692 GJFDWWQWVOMHDE-GOEBONIOSA-N 429.494 4.256 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC(c2ccc(Br)cc2)CC1 799970843 VVXHEOYCOZNJJU-UHFFFAOYSA-N 439.331 4.145 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C 801052106 XJNROWDQCCPTFM-HKUYNNGSSA-N 433.549 4.315 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1 809920509 UAFADTDSNMQMBP-HNNXBMFYSA-N 435.868 4.284 5 20 IIBD Cc1c(C(=O)OCc2nc3ccc(Br)cc3o2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 812579971 LBRUDMGXYHZPRT-UHFFFAOYSA-N 436.174 4.072 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)O[C@@H](C)C(=O)Nc3ncccn3)cc2[N+](=O)[O-])cc1 822142253 KXHQLJPHBAYRAB-AWEZNQCLSA-N 438.465 4.028 5 20 IIBD CCN(C(=O)[C@H](C)OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CCCCC1 841976164 YQURWGPCEKGVBQ-SFHVURJKSA-N 434.536 4.268 5 20 IIBD O=C(OCCOc1cccc(Br)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 844239235 FVWDIHQEHLESSD-UHFFFAOYSA-N 449.301 4.196 5 20 IIBD O=C(COc1ccc2oc3c(c2c1)CCCC3)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 914797760 RKAFVWWAXZQAJC-UHFFFAOYSA-N 449.419 4.392 5 20 IIBD COc1ccc(CSc2nc3ccccc3c(=O)n2-c2cc(C)ccn2)cc1[N+](=O)[O-] 915792657 PTYZQSDQEJMNDM-UHFFFAOYSA-N 434.477 4.298 5 20 IIBD O=C(NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1SCc1cccs1 916786465 SKXJDFAPCXWQNQ-UHFFFAOYSA-N 448.547 4.208 5 20 IIBD Cc1nn(Cc2ccccc2)c(Cl)c1CS(=O)(=O)Cc1cccc([N+](=O)[O-])c1C 917505747 DWMJLYUBQUHDND-UHFFFAOYSA-N 433.917 4.225 5 20 IIBD C[C@@H](Nc1ccc(C(=O)OC[C@@H]2COc3ccccc3O2)cc1[N+](=O)[O-])c1ccccn1 920116593 LQVGBDHQPYCHLB-WBVHZDCISA-N 435.436 4.160 5 20 IIBD C[C@H](OC(=O)Cc1csc(NC(=O)c2ccccc2F)n1)c1cccc([N+](=O)[O-])c1 920157093 IBGBWVOZSSXFJD-LBPRGKRZSA-N 429.429 4.290 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(NC(=O)OCC(C)C)c2)cc1OC 920225092 LNYFWZGMKLERCY-UHFFFAOYSA-N 431.445 4.459 5 20 IIBD O=C(NC[C@@H](O)c1ccccc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1N1CCCCC1 921078131 BAMYEHIMIUMPQO-LJQANCHMSA-N 437.418 4.067 5 20 IIBD CC(=O)N1Cc2ccc(NC(=O)c3ccc(N4C[C@@H](C)C[C@H](C)C4)c([N+](=O)[O-])c3)cc2C1 1116217952 GYOMFRUJRGVSMG-HOTGVXAUSA-N 436.512 4.192 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)c(Br)c1 1117310636 QOQQXKCUCJRAPL-JKSUJKDBSA-N 437.294 4.319 5 20 IIBD O=C(CSCc1cccs1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 1318220100 VNUWDXCNDDUEPS-UHFFFAOYSA-N 445.488 4.257 5 20 IIBD C[C@H](OC1CCCCC1)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 1318546508 OHWNKQOPVIJZIG-AWEZNQCLSA-N 429.439 4.000 5 20 IIBD C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1csc2ccccc12 1518404247 PRYGUIKPQYFYCS-STQMWFEESA-N 427.457 4.179 5 20 IIBD CC(C)C(=O)NC1(c2ccc(NC(=O)Cn3ccc4ccc([N+](=O)[O-])cc43)cc2)CCC1 1786277072 HLMSNEMLDQDQQA-UHFFFAOYSA-N 434.496 4.340 5 20 IIBD O=C(CCc1ccco1)Nc1ccc(C2(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)CCC2)cc1 1786904558 RCKXEEKCBMCCMS-UHFFFAOYSA-N 449.463 4.274 5 20 IIBD Cc1occc1C(=O)Nc1ccc(C2(NC(=O)Cc3cccc([N+](=O)[O-])c3)CCC2)cc1 1787362563 VJDVGBJESNDZJK-UHFFFAOYSA-N 433.464 4.487 5 20 IIBD Cc1ccc([C@@H](C)C(=O)Nc2ccc(C3(NC(=O)c4nc[nH]c4[N+](=O)[O-])CCC3)cc2)cc1 1791343542 ACWPJFOLFXNUJH-MRXNPFEDSA-N 447.495 4.178 5 20 IIBD Cc1ccc(C(=O)N2CCC3(CCCN(C(=O)Cc4cccc([N+](=O)[O-])c4)C3)CC2)s1 1804751647 CDANPIDTVKEIMV-UHFFFAOYSA-N 441.553 4.052 5 20 IIBD Cc1cccc(C)c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1 1821186655 CLSMWWOMVBOZAE-MRXNPFEDSA-N 437.456 4.147 5 20 IIBD CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])n[nH]1 1823501351 QZFPJZSMBRUBPH-IENJSVCTSA-N 425.489 4.070 5 20 IIBD O=C([C@H]1CC=CCC1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830498705 FPTFPEVUJCPJDW-AVRDEDQJSA-N 443.519 4.324 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)C)CC1 1830728877 FXDGSEQKVUBXFN-LJQANCHMSA-N 433.524 4.322 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)NCCc3nnc4ccccn34)cc2[N+](=O)[O-])cc1 11545368 DECXABNGALUKBK-UHFFFAOYSA-N 433.493 4.070 5 20 IIBD CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 14345327 HMPMJGVRANEGIZ-XUWXXGDYSA-N 426.897 4.207 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C(C)C)cc2)CC1 15509409 UGKRJJPYNKGKFM-UHFFFAOYSA-N 445.541 4.066 5 20 IIBD CCN(c1ccc(NC(=O)COC(=O)c2cc(SC)ccc2[N+](=O)[O-])cc1)C(C)C 16195828 JNTXFELYTDRRDO-UHFFFAOYSA-N 431.514 4.347 5 20 IIBD O=C(CSc1nnc(C2CC2)n1C1CC1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 17279431 OZLQRWBUJGOPDQ-UHFFFAOYSA-N 427.408 4.148 5 20 IIBD C[C@H](OC(=O)c1csc(-c2ccc(F)cc2)n1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 19617193 ZAGSTRWKCSNJIR-JTQLQIEISA-N 433.392 4.181 5 20 IIBD O=C1CCCN1c1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2-c2cccs2)cc1 21700119 OKAUOUJCIRHOBP-UHFFFAOYSA-N 444.490 4.218 5 20 IIBD CCCCn1c(S[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)n[nH]c1=O 26258587 MZDDHWPZXSXLOW-GOSISDBHSA-N 441.513 4.060 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nnc1-c1ccc(C)cc1 26824722 VIEHMNUIIYQGIZ-ZDUSSCGKSA-N 429.477 4.440 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccc([N+](=O)[O-])s2)c2ccccc2)c([N+](=O)[O-])c1 28386375 ABQZGKQAZSRILW-SFHVURJKSA-N 441.421 4.410 5 20 IIBD C[C@@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)Nc1ccc(Br)cc1 28670242 LTRNUHYZAZZTJB-SECBINFHSA-N 427.638 4.195 5 20 IIBD Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)N3CCc4cc([N+](=O)[O-])ccc43)n12 57691221 HNGPFNBMBWQKMJ-UHFFFAOYSA-N 447.520 4.397 5 20 IIBD COc1ccc(N(Cc2cccs2)C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1 60777529 HOGMBEDVUJMZDH-UHFFFAOYSA-N 435.465 4.093 5 20 IIBD CCCCN(CC)C(=O)c1ccccc1NS(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 63492325 XSEPIOXSKQLVAJ-UHFFFAOYSA-N 433.530 4.275 5 20 IIBD COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)Cc1ccc([N+](=O)[O-])cc1)CC2 69064015 XOTYOAVCWHSVCZ-RUZDIDTESA-N 432.476 4.329 5 20 IIBD COc1ccc(CC[C@@H]2CCCCN2C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)cc1OC 110277473 BHJBSMAMHOLXEF-INIZCTEOSA-N 438.484 4.116 5 20 IIBD Cc1nc(CC(C)C)sc1C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 110597668 UBKXZWVUSHXZJV-MRXNPFEDSA-N 433.530 4.371 5 20 IIBD Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 110763507 BCEQKDBOSBXZJX-LJQANCHMSA-N 435.440 4.494 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 409676848 AXQXGACSTRVDCM-UHFFFAOYSA-N 432.864 4.145 5 20 IIBD CNC(=O)c1cc(Oc2cc(C)ccc2NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)ccn1 426873372 FBDBADBJMJBGBV-UHFFFAOYSA-N 445.435 4.184 5 20 IIBD O=C(N[C@@H]1CCn2ccnc2C1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 428348135 LMQFHTIFURZFQZ-CQSZACIVSA-N 428.901 4.341 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(Cc2noc(-c3ccsc3)n2)CC1 428829463 MSQBWSXIRPBKGU-UHFFFAOYSA-N 439.419 4.047 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCc2sccc2[C@H]1c1cccs1 429820856 ZHXUPEOGLQRHDR-SFHVURJKSA-N 427.507 4.139 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCC(C(=O)O)(c2ccccc2)CC1 431214139 ZUTCPNRCIPSOEQ-UHFFFAOYSA-N 444.462 4.079 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC(OCC2CCCC2)CC1 433742381 NLUMYKVNLFOZDG-UHFFFAOYSA-N 437.345 4.262 5 20 IIBD COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1 433985037 UAJQETGHTWVCQE-GOSISDBHSA-N 426.448 4.303 5 20 IIBD C[C@H](NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1ccc2c(c1)OCCO2 435838871 YSBPJHWQPGPSAQ-LBPRGKRZSA-N 436.414 4.222 5 20 IIBD CC(C)OCCCn1c(SCc2cc(O)ccc2[N+](=O)[O-])nc2ccccc2c1=O 436475824 WBTMSIPYLBQMFN-UHFFFAOYSA-N 429.498 4.118 5 20 IIBD O=C(c1cc(-c2ccccc2)cc(Cl)c1O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 436534311 HMPVTBMIQFRGIN-INIZCTEOSA-N 438.871 4.342 5 20 IIBD O=C(Nc1ccccc1COc1ccccc1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437041561 RTWNCKWUJCESOT-UHFFFAOYSA-N 445.475 4.304 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)Nc2cccc(OC(F)F)c2)cc1[N+](=O)[O-] 438799110 GFBCQAHBTQEYEL-UHFFFAOYSA-N 437.218 4.068 5 20 IIBD CC[C@H](C[C@@H](C)CO)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] 439712076 DNVILUVYSNGFHM-NVXWUHKLSA-N 435.546 4.221 5 20 IIBD O=C([C@H]1CN(Cc2ccccc2)CCO1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 440615322 RCIIKXDWORVXFO-XMMPIXPASA-N 431.492 4.029 5 20 IIBD C[C@@H]1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCN1Cc1ccccc1 444119482 RGGXTKZNZOGEOY-LJQANCHMSA-N 425.532 4.418 5 20 IIBD O=C(NCc1cc(Br)cc2c1OCC2)c1ccc2[nH]c3ccccc3c(=O)c2c1 444312749 GIYBUHUOWUYAGZ-UHFFFAOYSA-N 449.304 4.309 5 20 IIBD CC(=O)Nc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)ccc1Cl 447005836 IXFCQZXXUCNBLF-UHFFFAOYSA-N 437.783 4.026 5 20 IIBD CC(C)(C)C(=O)NC[C@@H]1CCCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 447668878 HUIUCLUYTUDDKU-NSHDSACASA-N 438.397 4.023 5 20 IIBD CC(C)CC(=O)Nc1cccc(CNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])c1 447815788 HMGBZQNQYSSHTH-UHFFFAOYSA-N 426.517 4.024 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@@H](C)Oc2cccc(F)c2)cc1[N+](=O)[O-])c1ccccn1 460508292 OSWOYIAJAZFLRV-CVEARBPZSA-N 438.459 4.499 5 20 IIBD CN(Cc1ccc(Br)o1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 462426831 IVJSEQYBTNBQRL-UHFFFAOYSA-N 444.090 4.078 5 20 IIBD COc1cc(C(=O)N2CCCC[C@@H]2C(=O)O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 462649342 OVNRMOWDIQBWIN-CQSZACIVSA-N 434.832 4.128 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 462774605 JYDPBALFBYGRPW-OAQYLSRUSA-N 425.529 4.007 5 20 IIBD COc1cc(CSc2nnc(COc3ccccc3Cl)n2C)c([N+](=O)[O-])cc1F 463410292 JFSPKWXFRYRUEN-UHFFFAOYSA-N 438.868 4.396 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3c(ccc(Cl)c3Cl)C2)c2ncccc12 463678552 KZXVODHGMBUEBZ-UHFFFAOYSA-N 438.292 4.197 5 20 IIBD COc1cc(N[C@H]2CCCN(C(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)C2)cc(OC)c1 463967312 FOJWVNHCQMEMRW-INIZCTEOSA-N 428.489 4.337 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCC(=Cc2ccccc2F)CC1 465090457 QAPBIHBFTUBVBC-UHFFFAOYSA-N 439.443 4.128 5 20 IIBD Cc1sc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)cc1[N+](=O)[O-] 467059594 NEPGWWCRJARQTJ-CYBMUJFWSA-N 426.907 4.020 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCO[C@H](c2cccc(Cl)c2)C1 469019840 PESUMDNAZGLJML-SGTLLEGYSA-N 425.268 4.269 5 20 IIBD O=C1CCC(=O)N1c1ccc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)cc1[N+](=O)[O-] 469818533 IFIGJFPHCAXNDL-XUVXKRRUSA-N 447.491 4.047 5 20 IIBD CN(C)c1ccc(-c2cncc(C(=O)Nc3cc(-c4cccc([N+](=O)[O-])c4)[nH]n3)c2)cc1 473914380 VFJVRJQDTGEUKB-UHFFFAOYSA-N 428.452 4.365 5 20 IIBD C[C@@H](C(=O)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1F 478439100 VHBLHUUYYTWEOW-JDNHERCYSA-N 434.773 4.359 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F 478478860 FSKHHLQTSJLIJG-QGZVFWFLSA-N 441.793 4.141 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3cccc(Br)c3)CC2)ccc1[N+](=O)[O-] 478913291 CBNOQNYUTBUDQU-UHFFFAOYSA-N 449.305 4.110 5 20 IIBD COc1ccc([C@H]2NC(=O)N(Cc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C2=O)cc1Cl 479186114 UFPDXXPGTFTRNA-OAHLLOKOSA-N 443.765 4.069 5 20 IIBD CC[C@H](C)c1ccc([C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)c2cccs2)cc1 479469047 ONFZFCCXQVJPJA-NYHFZMIOSA-N 425.510 4.237 5 20 IIBD CC[C@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 481644039 LJNCSLSAWQXXLB-DYVFJYSZSA-N 425.938 4.267 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN[C@@H](CO)c3ccc(Cl)cc3C(F)(F)F)o2)cc1 483275058 XHGOMZWTSCJHOC-HNNXBMFYSA-N 442.781 4.140 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(C(=O)NCc2ccccc2F)c1 484294455 WAWWEVMWYQKWNN-UHFFFAOYSA-N 441.846 4.499 5 20 IIBD CCOC(=O)C(C)(C)C1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 485429058 HSNCQBIIJPMWDF-UHFFFAOYSA-N 442.310 4.191 5 20 IIBD O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC(Cc2ccccc2CO)CC1 485458776 RDMBPCMWVUNPIT-UHFFFAOYSA-N 448.317 4.336 5 20 IIBD C[C@@H](C(=O)NC(C)(C)C)N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 485728915 NSSOZPDDWFZSAR-LBPRGKRZSA-N 438.322 4.352 5 20 IIBD COC(=O)c1cc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c(C)c([N+](=O)[O-])c1 485962178 BYTWWNVCCGGELE-UHFFFAOYSA-N 445.378 4.194 5 20 IIBD O=c1c(Cl)c(NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cnn1Cc1ccccc1 486006439 QNPCFMIGHSCQHY-UHFFFAOYSA-N 438.793 4.484 5 20 IIBD CC(C)(C)[C@H](COc1ccccc1F)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 486362457 WJDRUOSOYYVSIN-FQEVSTJZSA-N 426.448 4.143 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1[N+](=O)[O-] 487834598 IJSMIUPUSJNZRD-CYBMUJFWSA-N 425.411 4.226 5 20 IIBD O=C(NCCCOCC1CCOCC1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 488218217 FIKSSVGWETYPAR-UHFFFAOYSA-N 430.526 4.309 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCCc2cc(Br)ccc21 488376886 QBGDSISMUKKRNL-UHFFFAOYSA-N 427.258 4.136 5 20 IIBD C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@@H]1CCN(Cc2ccccc2)C1 490759393 RMZPNYSVPOSFFI-IFMALSPDSA-N 439.559 4.182 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCC(O[C@@H]2CCOC2)CC1 490904302 UWVZMWAWNHNLJI-GOSISDBHSA-N 428.510 4.156 5 20 IIBD Cc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)C1CCCC1 491164474 ADGJDNGKZWNBSN-UHFFFAOYSA-N 434.539 4.350 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H](C(C)(C)C)C[C@H]1C 491596890 OXQSKEWDTBHLOD-AYBZRNKSSA-N 435.590 4.120 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)N1CC[C@](O)(C2CC2)C1 495216930 ZEVWVCKGOOQOJT-OAQYLSRUSA-N 449.866 4.236 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccccc1Nc1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 495282084 CSKFWVSDBBYKGB-ZDUSSCGKSA-N 440.406 4.433 5 20 IIBD COc1ccc(NC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2)cn1 500187937 PNEVFJQRELRWEL-UHFFFAOYSA-N 426.816 4.156 5 20 IIBD C[C@]1(O)CCCN(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)C1 501067495 LXDGWIDNZRPHNB-FQEVSTJZSA-N 437.855 4.236 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CCC(Oc3ccc(C)c(C)c3)CC2)cc([N+](=O)[O-])c1 501669171 VBVGSMAUGWLTAB-UHFFFAOYSA-N 426.469 4.072 5 20 IIBD Cc1ccc(-c2noc(CCC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2)cc1F 501991614 UHPSCJVEZOTNSG-UHFFFAOYSA-N 426.448 4.462 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H](C)c2ccnc(O)c2)cc1[N+](=O)[O-] 502275529 JMKNFJOTZPUMQU-CYBMUJFWSA-N 437.477 4.139 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Oc3ccccn3)cc2)ccc1[N+](=O)[O-] 505158149 GVTFAPATNUVKBE-OAQYLSRUSA-N 446.463 4.334 5 20 IIBD COc1cc(OCC(=O)N2CCCC[C@@H]2c2ncc(-c3ccccc3)[nH]2)ccc1[N+](=O)[O-] 507278770 JDKAYNUGBASCHZ-HXUWFJFHSA-N 436.468 4.126 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)cccc1[N+](=O)[O-] 507392621 JRXAWQDBVUAYKV-KRWDZBQOSA-N 437.374 4.008 5 20 IIBD CC[C@@]1(c2ccc(NC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)cc2)CCC(=O)NC1=O 509372841 NRDQYUQAHCZEGH-DEOSSOPVSA-N 437.496 4.229 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(-n2cncn2)c(F)c1 509483286 JNDCIZUQTUJPNB-UHFFFAOYSA-N 441.366 4.064 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCCC34CCN(C)CC4)cc2[N+](=O)[O-])n1 509618095 MIGMADJXTRLHEM-UHFFFAOYSA-N 432.571 4.211 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@H](CO)C2CCCCC2)cc1[N+](=O)[O-])c1ccccn1 509808035 JTUMDTOQZOIUGX-QFBILLFUSA-N 426.517 4.082 5 20 IIBD CCC1(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCN(C(=O)c2ccccc2)CC1 510833870 AZVSOSSBEATFQI-UHFFFAOYSA-N 443.931 4.240 5 20 IIBD COc1cc([C@H](C)NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc(OC)c1OC 510860308 JYRYUEZLWKMMNP-JTQLQIEISA-N 441.387 4.105 5 20 IIBD O=C(NCCCOC[C@H]1CCCO1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 512370444 RDZSOJKXFXIGJA-GOSISDBHSA-N 434.876 4.356 5 20 IIBD CN(c1nc2cccc(Cl)c2s1)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 517002017 CSOXDZVZDPTJEU-UHFFFAOYSA-N 434.886 4.231 5 20 IIBD O=C(NC1(Cc2ccc(F)cc2Cl)CCOCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 517255504 MEOROQFKCOAJTM-UHFFFAOYSA-N 431.851 4.390 5 20 IIBD COc1ccccc1[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 518643604 NDMARVAHCNULQR-QHCPKHFHSA-N 428.448 4.309 5 20 IIBD COc1c(CNCc2cc(I)cc([N+](=O)[O-])c2)oc2ccccc12 519727945 RKNQTEKAJPKNET-UHFFFAOYSA-N 438.221 4.244 5 20 IIBD COc1ccc([C@@H](CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)N2CCOCC2)cc1 521823286 SPAQRIDASFYOEB-HSZRJFAPSA-N 437.496 4.027 5 20 IIBD CCCc1ccc(-c2cc(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)n(CCO)n2)cc1 524301835 CCLAAPGKHMPMFQ-UHFFFAOYSA-N 433.468 4.137 5 20 IIBD COc1ccc(CC(=O)Nc2ccc(Br)cc2OC(F)(F)F)cc1[N+](=O)[O-] 530402016 PJTBOMRMZKUCGX-UHFFFAOYSA-N 449.179 4.446 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C(F)(F)F 532480899 QNZYZHATEUQPRQ-FQEVSTJZSA-N 448.401 4.196 5 20 IIBD CCCS(=O)(=O)Nc1ccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 532889388 NQCRXMROLUPDST-UHFFFAOYSA-N 432.527 4.482 5 20 IIBD O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 534222222 GMASSWJRQFCCGX-CQSZACIVSA-N 435.415 4.285 5 20 IIBD O=C(Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O)Nc1ccccc1Sc1ccccc1 534399654 RBJIGALKRAMVPP-UHFFFAOYSA-N 448.460 4.201 5 20 IIBD CN1CC[C@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]1c1ccc(Cl)c(F)c1 534959383 GKFRERGYRKELBW-PEBXRYMYSA-N 444.894 4.220 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2ccccc2C)C1 534960299 BCPHNSGGIHHVDZ-INIZCTEOSA-N 428.510 4.188 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@H](Oc2cccc(Cl)c2)C1 536261519 CVAHELPDCZSTBT-AWEZNQCLSA-N 425.666 4.304 5 20 IIBD Cc1nc([C@@H]2CCCN(C(=O)c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)C2)n[nH]1 538648425 XKRAYGAXLJDJMA-OAHLLOKOSA-N 441.875 4.487 5 20 IIBD COc1cc([C@@H](C)NCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)ccc1OC(C)C 539254343 OWNRWWMQFXCOBP-OAHLLOKOSA-N 429.473 4.039 5 20 IIBD O=C(NCCCNc1ncnc2ccc([N+](=O)[O-])cc12)c1cc2cc(F)ccc2s1 540495605 QAFBTRUDGWZFCW-UHFFFAOYSA-N 425.445 4.124 5 20 IIBD C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1nc(Cc2ccccc2)no1 544096720 NCERRRQWWCIJBH-LBPRGKRZSA-N 432.889 4.192 5 20 IIBD O=C(Nc1cccc(OCc2nc(CCNc3ccccc3[N+](=O)[O-])no2)c1)c1ccco1 544536834 BBZBXGQDSBQTHN-UHFFFAOYSA-N 449.423 4.057 5 20 IIBD CC(C)n1c([C@@H]2CCCN2S(=O)(=O)Cc2ccccc2[N+](=O)[O-])nc2ccccc21 544706768 SGBCXMJGPFPHEY-FQEVSTJZSA-N 428.514 4.192 5 20 IIBD COCCCOc1cc(C)ccc1-c1noc(-c2cc(OC)c(OC)c([N+](=O)[O-])c2)n1 545041907 AAAHAAJVJKVODG-UHFFFAOYSA-N 429.429 4.053 5 20 IIBD Cc1nn(CCc2nc(-c3ccc(NC(=O)CC4CCCC4)cc3)no2)c(C)c1[N+](=O)[O-] 547084342 OMEIZYKJRDNXTJ-UHFFFAOYSA-N 438.488 4.220 5 20 IIBD COc1cc(Cc2noc([C@@H](C)Oc3cccc(Br)c3)n2)ccc1[N+](=O)[O-] 547190261 PKHWLKOAQBCJRQ-LLVKDONJSA-N 434.246 4.480 5 20 IIBD COc1cc(OC)cc(C2(F)CCN(C(=O)Nc3ccc(OC)c([N+](=O)[O-])c3)CC2)c1 549255359 SVKCCQCQVPKNKF-UHFFFAOYSA-N 433.436 4.113 5 20 IIBD O=C(CN[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)Nc1ccccc1[N+](=O)[O-] 551422063 SWYDLJVEGDVTGD-HXUWFJFHSA-N 437.418 4.310 5 20 IIBD CN(Cc1ccco1)Cc1ccccc1CN[C@H](c1cccc([N+](=O)[O-])c1)c1nccn1C 552043176 BQVZDLPCWKUHFX-XMMPIXPASA-N 445.523 4.433 5 20 IIBD COc1ccccc1O[C@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 553597011 RHEUFZGQDPMBEB-AWEZNQCLSA-N 435.274 4.050 5 20 IIBD CC1(C)CN(CC2CN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)C2)c2cc(C3CC3)ccc21 569593325 VUWCECJZGQBNPV-UHFFFAOYSA-N 449.507 4.071 5 20 IIBD CC(C)OC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2ccccc2)CC1 579256250 GTKGNPQUVWJPAJ-UHFFFAOYSA-N 435.528 4.490 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC(Cc2cccc(C(F)(F)F)c2)C1 590423834 PAXIWBNRYHKJKO-UHFFFAOYSA-N 430.386 4.114 5 20 IIBD CCCOc1ccc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1OCCC 603692718 KFFRPQMOKMYBMR-UHFFFAOYSA-N 427.501 4.135 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1cc(-c2ccccc2)no1 603890127 QUEINFOFPIGPRH-UHFFFAOYSA-N 434.374 4.387 5 20 IIBD Cc1cc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)n(-c2cccc(C(F)(F)F)c2)n1 604315052 WOXUJESQMONHPC-UHFFFAOYSA-N 433.390 4.472 5 20 IIBD CN1CCN(C(C)(C)CNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 608781870 XKQAUYNETHXLHD-UHFFFAOYSA-N 432.952 4.156 5 20 IIBD O=c1c(Cl)c(NCc2cccc(OCC(F)F)c2)cnn1-c1ccc([N+](=O)[O-])cc1 608831610 RWFSIFMYLFTYLG-UHFFFAOYSA-N 436.802 4.050 5 20 IIBD O=[N+]([O-])c1ccc(-n2cc(-c3nc(-c4cccc(OCc5cccnc5)c4)no3)cn2)cc1 609475432 DVHTWZARGWEZOC-UHFFFAOYSA-N 440.419 4.472 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccnc(OC2CCCCC2)c1 609724537 YLZTXSWNYGBPOI-UHFFFAOYSA-N 433.892 4.440 5 20 IIBD CCNC(=O)c1ccc(CNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 609772945 KUDLJSFSXHSYJY-UHFFFAOYSA-N 434.452 4.459 5 20 IIBD CC(C)(C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccc([N+](=O)[O-])cc1 610065038 CHXJMZCQQZOWIS-SFHVURJKSA-N 435.446 4.282 5 20 IIBD COc1cc(C(=O)Nc2ccccc2NC(=O)C[C@H]2C=CCC2)cc([N+](=O)[O-])c1OC 610179603 AYXRTISHWHUMND-AWEZNQCLSA-N 425.441 4.159 5 20 IIBD O=C(COc1ccc(Br)cc1F)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 610209782 CAVORGHLYXGTOD-QGZVFWFLSA-N 441.278 4.149 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1 610228540 JWEHDVORHBMZTO-UHFFFAOYSA-N 449.482 4.204 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O 610661403 SYAPFXKMXRBYSI-OAHLLOKOSA-N 436.390 4.157 5 20 IIBD C[C@H]1CN(CCCCNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C[C@H](C)O1 611215960 DSABAIKOBCTJMJ-IRXDYDNUSA-N 435.590 4.249 5 20 IIBD O=C(N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1ccc([N+](=O)[O-])c2cccnc12 611223230 LGSVRRDPHYKLFP-CQSZACIVSA-N 430.386 4.171 5 20 IIBD C[C@H](OC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C(=O)Nc1nc(-c2ccccc2)cs1 725935096 DOTNOTXOIBJNQD-JTQLQIEISA-N 433.392 4.181 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 726184054 JDSKSXMUOUYWKO-CYBMUJFWSA-N 448.882 4.065 5 20 IIBD COc1ccc(CN2C[C@@H](C(=O)Oc3ccc(-c4ccccc4)cc3[N+](=O)[O-])CC2=O)cc1 726733770 GTMXSFKEDKJHHI-FQEVSTJZSA-N 446.459 4.225 5 20 IIBD CCC[C@H](NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCc2sccc2C1 727227934 DYPHITSDYISAAE-HNNXBMFYSA-N 436.921 4.185 5 20 IIBD Cc1nc2ccccc2cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727328629 CEOFXZPQGVITSX-UHFFFAOYSA-N 444.413 4.433 5 20 IIBD COc1ccc(CC(=O)OCC(=O)N(c2ccccc2)C2CCCCC2)cc1[N+](=O)[O-] 727882947 JRBPVRIOKUBTFU-UHFFFAOYSA-N 426.469 4.055 5 20 IIBD C[C@@H]1CN(c2ccc(C(=O)N(CC3CC3)c3ccc(Cl)c([N+](=O)[O-])c3)cn2)C[C@@H](C)O1 728165006 GDELTUJHOKPZLW-HUUCEWRRSA-N 444.919 4.314 5 20 IIBD O=C(OCc1coc(-c2ccc(F)c(F)c2)n1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 728620640 OBIAFFCHGYMNPI-UHFFFAOYSA-N 426.335 4.071 5 20 IIBD CN(C[C@@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1)C(=O)OC(C)(C)C 729396404 VMASGJLYFBVBSE-AWEZNQCLSA-N 446.529 4.047 5 20 IIBD C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1)c1cccc([N+](=O)[O-])c1 729661108 ZFQUCPLAPRELEL-HZPDHXFCSA-N 432.498 4.076 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] 731831285 FKOWRFWTGUKBAO-LJQANCHMSA-N 433.848 4.051 5 20 IIBD C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1cccc(Cl)c1Cl 735459323 PKFQCCCAQPDIOI-GHMZBOCLSA-N 440.258 4.271 5 20 IIBD C[C@@H](CC(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1cccc(C(F)(F)F)c1 738744289 QQPVDGUIGWATQJ-NSHDSACASA-N 428.338 4.428 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(Cl)cc2C(=O)NCC2CC2)c([N+](=O)[O-])cc1OC 740794393 QEJRGMFVUAIWEN-UHFFFAOYSA-N 447.875 4.048 5 20 IIBD Cc1ccc(C(=O)OCCN(C)c2ccc([N+](=O)[O-])cc2)cc1NC(=O)NC(C)(C)C 741113942 ZTLKYQYOVAEJTR-UHFFFAOYSA-N 428.489 4.116 5 20 IIBD CCN(CC)C(=O)c1cccc(OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 741602682 VUJFQEGDEPNCKV-UHFFFAOYSA-N 428.488 4.242 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)OCc1ncc(-c2ccccc2Br)o1 741817824 FVGVDRSOFIIXDF-UHFFFAOYSA-N 433.214 4.135 5 20 IIBD C[C@@H]1C[C@H]1[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(Cl)cc1 741998319 JXZMJEDUKOBXOM-IQVOZAENSA-N 429.904 4.212 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C)N1C(=O)OC(C)(C)C 742672724 QRGLODGFWWRFDI-TXEJJXNPSA-N 431.411 4.084 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@H]3CCOc4ccccc43)CC2)ccc1[N+](=O)[O-] 744204880 SADQWACBYAIRGL-IBGZPJMESA-N 426.469 4.072 5 20 IIBD CC(C)(C)OC(=O)NCc1ccc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)o1 744366866 BEXUPSOGSISQOK-SFHVURJKSA-N 433.486 4.100 5 20 IIBD C[C@@H](OC(=O)[C@H]1CCCCN1Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 745102788 AYDDVYKSZAMJRT-FOIQADDNSA-N 445.903 4.173 5 20 IIBD O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCN(c2ncnc3sccc23)C1 745537098 VZRNPFOHZGJCIS-LBPRGKRZSA-N 432.889 4.213 5 20 IIBD COC(=O)c1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2-c2cccs2)ccc1F 747242205 VLLMLCQFFWLKMW-UHFFFAOYSA-N 437.426 4.017 5 20 IIBD O=C(OCCn1cnc([N+](=O)[O-])n1)c1ccc(F)cc1-c1ccc(Cl)c(Cl)c1 749079572 VPTPJJQFGGFLAM-UHFFFAOYSA-N 425.203 4.156 5 20 IIBD O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1cccc(Cl)c1[N+](=O)[O-] 749885395 VWYTVVLPESLFKT-UHFFFAOYSA-N 444.900 4.461 5 20 IIBD C[C@@H](OC(=O)c1cccc(Cl)c1[N+](=O)[O-])C(=O)Nc1ccc(N2CCCCC2)cc1 750535779 RTNNUSCCHZYKGB-CQSZACIVSA-N 431.876 4.423 5 20 IIBD CN1CC[C@H](C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c2ccccc21 750725261 LNDOOSHLTOCMBX-NRFANRHFSA-N 431.448 4.376 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC(OC[C@H]2CCCO2)CC1 751238638 IKTYXCLJVCDNBR-OAHLLOKOSA-N 436.306 4.070 5 20 IIBD C[C@H]1C[C@H](CCNC(=O)c2cc([N+](=O)[O-])ccc2Br)CN1Cc1ccccc1 753293444 JQDSAKORUBJSCJ-RDJZCZTQSA-N 446.345 4.388 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CN(Cc3ccccc3)C[C@H](O)c3cccs3)n2)c1 756055358 HTVZMQUIFVMTPK-IBGZPJMESA-N 436.493 4.442 5 20 IIBD COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2Br)c(Br)c1 758236734 UGPBERJYODURIU-UHFFFAOYSA-N 430.052 4.381 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 758796086 QMUAUCURNVKATO-STQMWFEESA-N 445.438 4.379 5 20 IIBD CCCc1c(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cnn1-c1cc(C)ccn1 761023015 CPOHMOGYIZWEQH-UHFFFAOYSA-N 438.444 4.214 5 20 IIBD CC(C)NC(=O)Nc1ccc(-c2noc(-c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)n2)cc1 761732368 GEMXRAGODCYACP-UHFFFAOYSA-N 433.428 4.027 5 20 IIBD O=C(Nc1cc(Cl)ccc1O)C1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 761746122 PCUMEFKXMJOEKM-UHFFFAOYSA-N 438.267 4.098 5 20 IIBD COC(=O)c1ccc(OC(=O)c2cc(C3CC3)nc3onc(C(C)C)c23)cc1[N+](=O)[O-] 763702059 QSJXBPQNKHIZHQ-UHFFFAOYSA-N 425.397 4.138 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[C@H](C)c1c(F)cccc1F 764155461 BZGPFHSOLZUFOP-CYBMUJFWSA-N 430.411 4.464 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 764219731 SGOFEXJROYTOHD-UHFFFAOYSA-N 431.495 4.155 5 20 IIBD COc1cc(NC(=O)c2ccco2)c(C(=O)O[C@H](C)c2ccccc2[N+](=O)[O-])cc1OC 764596909 JZVDAJLVUFOQJD-CYBMUJFWSA-N 440.408 4.375 5 20 IIBD CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 765044038 QCCYPVIDMCCZBQ-KRWDZBQOSA-N 428.489 4.014 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC[C@@H]1CCCCN1C(=O)c1cccn1C 765604573 QVSULPNSNATJQL-UXHICEINSA-N 441.528 4.130 5 20 IIBD Cc1cc(Cl)ncc1NC(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 766802150 NTMBODUMXFICQE-UHFFFAOYSA-N 446.872 4.005 5 20 IIBD O=C(Nc1ccc(Br)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 773254300 CKFPPPLCNMZMHP-UHFFFAOYSA-N 440.681 4.100 5 20 IIBD CC(C)(C)OC(=O)N1CCc2ncc(NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)cc2C1 774026060 WBJGJSURRTXTKW-UHFFFAOYSA-N 437.456 4.017 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C1(S(=O)(=O)c3ccc(Cl)cc3)CCCC1)CC2 774220810 VYJQJFMQCZDRFG-UHFFFAOYSA-N 448.928 4.232 5 20 IIBD O=C(OCc1cc2c(cc1Br)OCCCO2)c1ccc([N+](=O)[O-])cc1F 777068336 QVBMQFUUYSKLTG-UHFFFAOYSA-N 426.194 4.015 5 20 IIBD Cn1c(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)nc2cc(Cl)ccc21 778010393 XRPBPWONCNOAFS-UHFFFAOYSA-N 427.892 4.055 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O 778800681 KYEVQVMJTRFGFR-SCLBCKFNSA-N 445.859 4.066 5 20 IIBD Cc1c(C(=O)N2CCCCC[C@@H]2c2noc(C(C)C)n2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 780064653 LNFSCDYFSBTPMX-OAHLLOKOSA-N 431.449 4.384 5 20 IIBD COc1cc(COC(=O)[C@H]2CCCc3sccc32)c([N+](=O)[O-])cc1OCC(F)F 780074877 LLYKQZWJBULIPK-ZDUSSCGKSA-N 427.425 4.472 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1cccc(F)n1 783206284 LJAZVKNZBXZMPZ-SFHVURJKSA-N 429.791 4.319 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)NC1(c2cccc(C(F)(F)F)c2)CC1 783320687 YKNXKDDPHSIGGC-UHFFFAOYSA-N 427.766 4.011 5 20 IIBD C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 787341050 KIYIJUQWFNZPNP-DIFFPNOSSA-N 429.370 4.064 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])O[C@H]([C@@H]1CCCOC1)C(F)(F)F 789651171 QNWOPHKDIRAOQZ-MEBBXXQBSA-N 444.328 4.316 5 20 IIBD C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 790211224 UTUAQAWWVFCVOJ-LBPRGKRZSA-N 437.374 4.403 5 20 IIBD CN(C)c1cc(F)c(C(=O)Nc2ccc(OCc3cn4ccccc4n3)cc2)cc1[N+](=O)[O-] 791356721 KJFLZGXTEYABHT-UHFFFAOYSA-N 449.442 4.279 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](C2CCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)C1 794030720 WDXUHTFKKHXIME-HNNXBMFYSA-N 437.924 4.357 5 20 IIBD C[C@@H](SCC(=O)OCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 794444788 NHYSHMABOCQDHP-GFCCVEGCSA-N 442.415 4.417 5 20 IIBD Cc1cc(C)n(-c2ccc(-c3noc(-c4cc([N+](=O)[O-])ccc4N4CCCC4)n3)cn2)n1 795730324 URTZEYPMAPTHAI-UHFFFAOYSA-N 431.456 4.110 5 20 IIBD O=C(COC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)Nc1ccc(Cl)cc1[N+](=O)[O-] 801898388 PVVWAJIXYUGFMR-HNNXBMFYSA-N 434.729 4.460 5 20 IIBD CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)cn1 809919302 FHJWCOTTWUFXFT-IBGZPJMESA-N 443.891 4.232 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CNCc2cc([N+](=O)[O-])ccc2Cl)c1 810147463 GCRBYMSECLEFJK-UHFFFAOYSA-N 447.616 4.051 5 20 IIBD Cc1nc([C@H](C)OC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)no1 811055680 HJVRGXQIXXOFGS-JTQLQIEISA-N 430.804 4.110 5 20 IIBD Cc1cccc(NS(=O)(=O)c2ccc(-c3nc(CCC(C)(C)[N+](=O)[O-])no3)cc2)c1C 812814246 YXRNDXDHPUJDJW-UHFFFAOYSA-N 444.513 4.142 5 20 IIBD Cc1nc(C(C)C)oc1COC(=O)c1cc([N+](=O)[O-])cc(I)c1C 813219727 KBOUERICSOKRIM-UHFFFAOYSA-N 444.225 4.285 5 20 IIBD COc1ccc([N+](=O)[O-])cc1OC(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 818884847 SQHHHEVWEVTQKA-UHFFFAOYSA-N 440.412 4.271 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1Cc2ccccc2[C@H](c2ccccc2)C1 901384946 CVQTVXLYWXTLSR-DEOSSOPVSA-N 443.503 4.219 5 20 IIBD CC(C)c1c(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cnn1-c1ccccc1 913380647 ZRSYHGMRFOMHOW-UHFFFAOYSA-N 442.859 4.353 5 20 IIBD O=C(NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1(c2ccc(Cl)cc2)CCCC1 916755156 PNCQOUOBXZPISL-UHFFFAOYSA-N 443.308 4.219 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Oc1ccc(NC(=O)C2CC2)cc1 917049308 OWRXQOTZPXKRIA-UHFFFAOYSA-N 437.374 4.370 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)ccc1F 918235680 SNEGOGJMXRJADR-ZIAGYGMSSA-N 429.448 4.255 5 20 IIBD O=C(COC(=O)Cc1ccccc1[N+](=O)[O-])N[C@@H](c1ccccc1)c1cccc(Cl)c1 918842593 HXNJTZFFODEWLC-QHCPKHFHSA-N 438.867 4.240 5 20 IIBD CN(CCOC(=O)Cc1csc(Cc2ccc(F)cc2)n1)c1ccc([N+](=O)[O-])cc1 920877816 LKDSNOAVHKIWDQ-UHFFFAOYSA-N 429.473 4.003 5 20 IIBD O=[N+]([O-])c1sc(CN2CCc3c(ncn3CCc3ccccc3)C2)cc1Br 929066658 AAHLRTVEKXGGQT-UHFFFAOYSA-N 447.358 4.416 5 20 IIBD COc1ccc(NC(=O)c2cnc3c(c2)c(C2CC2)nn3-c2ccccc2)c([N+](=O)[O-])c1 1248631791 DDZHHJGJYOGQQJ-UHFFFAOYSA-N 429.436 4.467 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)/C=C\c1cc(Cl)cc(Cl)c1 1317736819 PHGCZLBTXMFMGJ-ZTYXWKCZSA-N 439.251 4.494 5 20 IIBD COc1ccccc1C1(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)CCC1 1318526482 DNDOFIHODCXVAL-UHFFFAOYSA-N 434.496 4.274 5 20 IIBD C[C@H](CC(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)c1cccc(C(F)(F)F)c1 1318632490 SYZXGKLRGFMHQV-MRXNPFEDSA-N 435.446 4.452 5 20 IIBD C[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)c1ccc(F)cc1F 1318698841 ISYUAWLRZBQAKB-GFCCVEGCSA-N 443.372 4.344 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1c(F)cccc1Br 1319113314 UQMOTNUZRCNJJQ-UHFFFAOYSA-N 431.283 4.096 5 20 IIBD Cc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)cs1 1323166316 CXSAUDVAPNSAQH-UHFFFAOYSA-N 433.486 4.226 5 20 IIBD O=C(Nc1sccc1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)c1ccc(Cl)cc1O 1329738648 NSAWYRQPAFAZBH-UHFFFAOYSA-N 443.868 4.424 5 20 IIBD Cc1csc(C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)n1 1339973130 PKKGXBAPKZYXHJ-UHFFFAOYSA-N 428.539 4.046 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3nc[nH]c3[N+](=O)[O-])cc2)CCC1)c1ccccc1C1CC1 1788613185 KUOPBCQQPQKKCK-UHFFFAOYSA-N 445.479 4.257 5 20 IIBD Cc1ccnc(C(=O)Nc2ccc(C3(NC(=O)c4cc(O)cc([N+](=O)[O-])c4)CCC3)cc2)c1 1788714216 RYEYVNHRSUXTQQ-UHFFFAOYSA-N 446.463 4.065 5 20 IIBD CC(C)c1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])[nH]4)cc3)CCC2)no1 1790184474 NTWBAUSGIRQRQM-UHFFFAOYSA-N 437.456 4.096 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)c1ccccc1)C2 1800701367 SFUWSJOBWIOQHQ-DQEVTTJGSA-N 439.487 4.098 5 20 IIBD CCC(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])CC2 1825156630 GLHNXLWAMKRRBE-SAAWKEMMSA-N 442.541 4.113 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CCCC2)CC1 1830729847 NYDCNPJBOCCERR-OAQYLSRUSA-N 445.535 4.466 5 20 IIBD C/C=C(\C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1831339294 QSCGTFOLOZSQAO-GERYVEDWSA-N 427.545 4.113 5 20 IIBD CC(C)c1ccc(CC(=O)N2CCCC23CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C3)cc1 1846100026 KAXVNSQMEBTMNI-UHFFFAOYSA-N 449.551 4.097 5 20 IIBD C[C@H]1CC[C@H](C(=O)N2CCCC23CN(C(=O)C2(c4cccc([N+](=O)[O-])c4)CCC2)C3)CC1 1846686950 IFJVIMVHCJTSDK-WGSAOQKQSA-N 439.556 4.046 5 20 IIBD C[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)Nc1cc(F)ccc1F 10723327 JEMQKQDSEIDVOU-AWEZNQCLSA-N 436.414 4.003 5 20 IIBD Cc1c(C(=O)O[C@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cccc1[N+](=O)[O-] 11397716 MAPIVOZUCBOONB-LLVKDONJSA-N 447.419 4.489 5 20 IIBD O=C(COC(=O)CCc1ccc(-c2ccccc2F)o1)Nc1ccc(F)c([N+](=O)[O-])c1 16320284 GADJPVCNLTXNPI-UHFFFAOYSA-N 430.363 4.248 5 20 IIBD COc1ccc(-c2noc(COC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)n2)c(OC)c1 17748582 FDSJKJRGWHJNHI-UHFFFAOYSA-N 441.440 4.317 5 20 IIBD COc1cc(C(=O)N(C)CCOc2cccc(Cl)c2)c([N+](=O)[O-])cc1OC(F)F 25993187 SLRZZFXHUCWMPM-UHFFFAOYSA-N 430.791 4.009 5 20 IIBD Cc1ccc(C)c2sc(NC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)nc12 26792304 MVBORFROCDFVIA-UHFFFAOYSA-N 426.454 4.148 5 20 IIBD COc1ccccc1Nc1nnc(SCC(=O)Nc2c(C)cccc2[N+](=O)[O-])s1 28787234 YCWPHQIDQUSIFB-UHFFFAOYSA-N 431.499 4.238 5 20 IIBD Cc1ccc(CN(c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2[N+](=O)[O-])s1 30364344 SLRBNEYZHDYNHE-UHFFFAOYSA-N 446.506 4.131 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccc(F)c(Br)c1 59802165 BCAVWGWHAXAFLF-NSHDSACASA-N 427.295 4.336 5 20 IIBD O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 61531372 MEJSIUCTGYZMAV-UHFFFAOYSA-N 437.431 4.275 5 20 IIBD O=C(c1ccc(F)cc1)c1ccc(OS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 72074195 PPECPEYPUBTMOK-UHFFFAOYSA-N 435.816 4.386 5 20 IIBD COc1cc(CN[C@H](C)C(=O)N2CCCC[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 237203869 ZVDWZEKRNUAWKG-ZWKOTPCHSA-N 441.528 4.062 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-n2ncc(C(=O)O)c2C(F)(F)F)cc1 237571467 JNUJGLJWMFZLNL-UHFFFAOYSA-N 434.330 4.058 5 20 IIBD Cn1cc(CNCCCc2nc(-c3ccncc3)cs2)c(-c2ccc([N+](=O)[O-])cc2)n1 237758850 OGBDKYLHJDWVAI-UHFFFAOYSA-N 434.525 4.236 5 20 IIBD Cc1ccc(C(=O)N2CCC(Nc3cc(C)nc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)cc1 301840829 YHQLAQDFLOYOES-UHFFFAOYSA-N 431.496 4.385 5 20 IIBD O=C(Nc1ccccc1)NC1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 302148254 ADQBFIVHSDDUFN-UHFFFAOYSA-N 447.495 4.359 5 20 IIBD CC[C@@H](C(=O)N1CCC(Nc2c(Br)cncc2[N+](=O)[O-])CC1)c1ccccc1 302836263 WKFALOBIARZDIF-MRXNPFEDSA-N 447.333 4.349 5 20 IIBD COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2nc[nH]n2)ccc1C(F)(F)F 426921741 ULGBMCFMOHRUPA-UHFFFAOYSA-N 439.375 4.144 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)CC[C@H]1O 428666997 KXMJBWWQOCESEU-BLLLJJGKSA-N 429.523 4.199 5 20 IIBD C[C@@H](c1cccc(Br)c1)N1CC(=O)N([C@H](C)c2cccc([N+](=O)[O-])c2)C1=O 430880748 ZIRGCETWHFKLST-QWHCGFSZSA-N 432.274 4.444 5 20 IIBD CCN1CCN(c2ccc(NC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)c(C)c2)CC1 431058504 NCNJOVRBBNBNPD-UHFFFAOYSA-N 425.533 4.102 5 20 IIBD Cc1cc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])ccc1OCCN1CCCC1 431340604 BZOKAZDLGLZPGB-UHFFFAOYSA-N 448.317 4.393 5 20 IIBD COc1ccc(C[C@@H]2CCCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C2)cc1 431456227 DUHQMLGUNDZUHN-HNNXBMFYSA-N 433.302 4.461 5 20 IIBD Cc1nc(-c2ccccc2)sc1CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 432497403 OOFLTUFFDUYATE-UHFFFAOYSA-N 434.477 4.270 5 20 IIBD C[C@@H](c1ccccc1)[C@@H](NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C(N)=O 433169922 ZBCSWWYLSDZUFT-YCRPNKLZSA-N 434.452 4.166 5 20 IIBD Cc1csc(CCCCNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)n1 436359597 AIPUDAKWPWHAKF-UHFFFAOYSA-N 427.476 4.477 5 20 IIBD CCN(Cc1ccccn1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 437957535 VYJKKULDIOGUPA-UHFFFAOYSA-N 441.491 4.434 5 20 IIBD Cc1c(CC(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)cccc1[N+](=O)[O-] 439855402 UBTSNBBRUXPANN-UHFFFAOYSA-N 445.541 4.038 5 20 IIBD CCCOc1cc(NC(=O)C(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1OCCC 442376065 MUTVJGBVJPMBMU-BRWVUGGUSA-N 447.532 4.196 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCc1nc(-c2cc(Br)cc(C(F)(F)F)c2)no1 445231878 RYHFJJSURJNHOR-UHFFFAOYSA-N 446.183 4.174 5 20 IIBD Cc1nn(-c2ccc(F)cc2)c2sc(-c3nc(-c4c([N+](=O)[O-])nc(C)n4C)no3)cc12 445618421 BXRRTOQXWGEADG-UHFFFAOYSA-N 439.432 4.202 5 20 IIBD Cc1ccc(Sc2ccc(-c3nc(CC(=O)Nc4ncccn4)no3)cc2[N+](=O)[O-])cc1 445843070 WELSQGSHXNIHTQ-UHFFFAOYSA-N 448.464 4.076 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCc1ccnc(Oc2ccc(F)cc2)c1 447816720 MQCPVSBLUCSQCK-UHFFFAOYSA-N 438.459 4.366 5 20 IIBD CCCCn1ncc(NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)c1C 448423184 DSFKSFKERVKSBX-UHFFFAOYSA-N 449.511 4.449 5 20 IIBD O=C(Nc1ncccc1Cl)c1cc(C(=O)Nc2ncccc2Cl)cc([N+](=O)[O-])c1 461105482 CRMUCOSYDYFELI-UHFFFAOYSA-N 432.223 4.196 5 20 IIBD CC(C)c1ccc(C[C@H]2CCN(C(=O)CSc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)cc1 461161835 NUCZKQJDOFSTJT-QGZVFWFLSA-N 441.553 4.000 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 462614538 LJVPBDJFZAVJPJ-VOQZNFBZSA-N 445.947 4.005 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)ccc1OCC1CCC1 467044698 HZVKMGSXWCGQOM-CYBMUJFWSA-N 431.876 4.184 5 20 IIBD C[C@@H]1OCC[C@@]12CN(C(=O)c1ccc(Sc3ccc([N+](=O)[O-])cc3)cc1)C[C@@H](C)O2 468537572 RFEKFNSPICDRMZ-ZMPRRUGASA-N 428.510 4.155 5 20 IIBD COc1cc(CCNC(=O)Nc2cccc(C)c2Br)c([N+](=O)[O-])cc1OC 469581098 RZYLBWZOKZBKPV-UHFFFAOYSA-N 438.278 4.047 5 20 IIBD COc1cc(CCNC(=O)Nc2cc(-c3nc(C)co3)ccc2C)c([N+](=O)[O-])cc1OC 470284093 DBWFOWZOPWTTKO-UHFFFAOYSA-N 440.456 4.248 5 20 IIBD COC(=O)[C@]1(C)CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)C1 470648745 GYWOBSSYHGHWFA-OAQYLSRUSA-N 448.859 4.074 5 20 IIBD O=[N+]([O-])c1cnn(CCSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2F)c1 470852866 TUJZATIIPMYKRU-UHFFFAOYSA-N 428.424 4.110 5 20 IIBD CSc1ccc(C(=O)N2CC[C@]3(CCCN(Cc4ccccc4)C3)C2)cc1[N+](=O)[O-] 473509881 YLHIEVAELODTJT-QHCPKHFHSA-N 425.554 4.445 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(-c3ccccc3)ns2)ccc1[N+](=O)[O-] 475489394 ZUHVLTZNGFBRDI-LJQANCHMSA-N 436.493 4.270 5 20 IIBD Cc1ccc(Br)c(C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c1 477478896 LYTFKBADUILHCX-QGZVFWFLSA-N 449.301 4.479 5 20 IIBD Cc1cc2sc(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)nc2cc1F 478074810 HVDAOJSMMWCJLZ-QGZVFWFLSA-N 442.472 4.204 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F 478914440 XFIJTECZNSQAGW-CQSZACIVSA-N 448.195 4.231 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1 479739862 GJGLDVZHQCPJCN-UHFFFAOYSA-N 439.453 4.127 5 20 IIBD O=C(NCc1ccccc1COCc1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 480350331 PUDSLNQXPKMANG-UHFFFAOYSA-N 434.448 4.013 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(C(=O)NC2CC2)c1 480468545 UIKZJETWJQVLPJ-UHFFFAOYSA-N 427.526 4.165 5 20 IIBD O=C(NCC1CC1)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 480494397 XJFMCANNYPTIND-QGZVFWFLSA-N 439.537 4.124 5 20 IIBD Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(C)nn3-c3ccc([N+](=O)[O-])cc3)cc2F)n1 481891982 AYJYYIOAZYHXBI-UHFFFAOYSA-N 434.431 4.283 5 20 IIBD CCc1c(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cnn1-c1ccc(Cl)cc1 482721072 WWVSVBSWBBYDTQ-UHFFFAOYSA-N 436.859 4.434 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1CN1CCC(c2noc(-c3ccccc3OC)n2)CC1 483437837 JKGRDSIGWOTOEH-UHFFFAOYSA-N 438.484 4.432 5 20 IIBD CC[C@H](NC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)c1cc(F)cc(Br)c1 486160672 CJPBBDYWYNNSDX-HNNXBMFYSA-N 440.269 4.456 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCC(Cc3ccccc3F)CC2)c(C)c([N+](=O)[O-])c1 486874257 WUGJOIMBMQXOLC-UHFFFAOYSA-N 429.448 4.316 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CCC[C@@H]1c1ccc(F)cc1 488938787 GXIODSXWMRHIMC-CQSZACIVSA-N 429.267 4.022 5 20 IIBD CCOC(=O)CC(C)(C)N(C)C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 490376798 YAWYQTRJFUEWFW-UHFFFAOYSA-N 437.543 4.315 5 20 IIBD Cc1sc2ncnc(SCC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)c2c1C 490403471 XKNXFPHWYUHDSY-UHFFFAOYSA-N 428.539 4.500 5 20 IIBD CCOc1cc(CNC2(C(=O)Nc3ccc(OC)c(OC)c3)CCCC2)ccc1[N+](=O)[O-] 492530030 CQVASOKJHMBMSJ-UHFFFAOYSA-N 443.500 4.052 5 20 IIBD O=C(CC1CCCC1)NC1CCC(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 492872880 LLJAWSVRESBUMO-UHFFFAOYSA-N 427.545 4.341 5 20 IIBD O=C(CN[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)Nc1ccc([N+](=O)[O-])cc1Cl 494498648 WSEUSYIHUFKKMS-FUHWJXTLSA-N 428.247 4.099 5 20 IIBD CCC1(CO)CCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 497349766 YZKRGTHWMMESQV-UHFFFAOYSA-N 448.523 4.001 5 20 IIBD COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1OCc1ccncc1 497923959 JAZVIQNOQVVTMR-UHFFFAOYSA-N 430.420 4.378 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCCc2csc(-c3ccccc3)n2)cc1OC 498108525 ZFEZEXUDQLVABJ-UHFFFAOYSA-N 427.482 4.098 5 20 IIBD CC[C@@H](C)Sc1ccc(NC(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c(C)c1 498748945 YRGZKKTZVGQATK-CQSZACIVSA-N 431.514 4.171 5 20 IIBD CN(C)C(=O)C1(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCCC1 499501939 GFSGPDOMZMVRDG-UHFFFAOYSA-N 445.903 4.419 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])c1cccnc1Oc1ccc(Br)cc1 500798082 VNPKKUKJADQNFS-UHFFFAOYSA-N 428.242 4.475 5 20 IIBD O=C(N[C@@H]1CCCc2occc21)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 504302231 JOCRSOCDQHLABN-OAHLLOKOSA-N 438.406 4.116 5 20 IIBD C[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-n2cccn2)c(F)c1 508828392 MFYHEHXIOVWLSA-ZDUSSCGKSA-N 432.839 4.219 5 20 IIBD CCOc1cc(NC(=O)C(=O)N2CC(C)(C)[C@@H]2c2cccs2)c([N+](=O)[O-])cc1OCC 511314429 NGOOTAYYWGNSFQ-SFHVURJKSA-N 447.513 4.002 5 20 IIBD CCOc1cc(Br)c(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1OCC 513757032 JQGMUVHYJYNPLG-UHFFFAOYSA-N 439.262 4.416 5 20 IIBD COc1ccc(CCNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1OC(F)F 513989185 IFLQXFSAUCVHMZ-UHFFFAOYSA-N 447.341 4.170 5 20 IIBD Cc1c(NC(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)cccc1[N+](=O)[O-] 516160666 CCNILHSCXWZBRW-CQSZACIVSA-N 433.306 4.314 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H](Oc2ccc(Cl)cc2)C1 517421013 JQJOFWAMJLERQV-MRXNPFEDSA-N 425.666 4.304 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)nn2-c2cccc(Br)c2)c1 517868665 FSUCRBZKCWHHAR-UHFFFAOYSA-N 431.246 4.112 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC(c2noc3cc(F)ccc23)CC1 519853392 VGRXMQVLSGCLAF-UHFFFAOYSA-N 426.448 4.473 5 20 IIBD Cc1ccc(NC(=O)[C@@H](Sc2nc(=O)ccn2C2CC2)c2ccccc2)c([N+](=O)[O-])c1 520650759 PCWIAMAJLRBCNC-FQEVSTJZSA-N 436.493 4.267 5 20 IIBD O=[N+]([O-])c1cc2c(c(C[S@@](=O)Cc3coc(-c4cccc(Cl)c4)n3)c1)OCOC2 521590115 LZQYJOPXGODCCQ-GDLZYMKVSA-N 434.857 4.219 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)cc([N+](=O)[O-])c1 524044396 FTLJMBZVICDHFU-UHFFFAOYSA-N 432.392 4.079 5 20 IIBD COC(=O)[C@@H]1CC12CCN(C(=O)Nc1cccc(Oc3ccc([N+](=O)[O-])cc3)c1)CC2 524223626 ZMKFUMUPQTYPSX-IBGZPJMESA-N 425.441 4.194 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1nn(-c2ccccc2)c2c1CCC2 524462480 BJEAMTNAYVZSJW-AWEZNQCLSA-N 440.887 4.006 5 20 IIBD COc1ccc(CC[C@@H]2CCCCN2CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1OC 532528423 SJSCOCAAJBEBAE-IBGZPJMESA-N 441.528 4.346 5 20 IIBD O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 532871667 XBASLCPJXIRXRI-UHFFFAOYSA-N 448.445 4.416 5 20 IIBD CCOc1cc(CNc2cc(F)cc(F)c2)ccc1OCCn1c([N+](=O)[O-])cnc1C 532887971 MCBSLVRSNKHWNR-UHFFFAOYSA-N 432.427 4.468 5 20 IIBD CC(C)c1[nH]nc(C(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)c1[N+](=O)[O-] 537690882 AGSVPDAZLLCXDI-UHFFFAOYSA-N 432.309 4.224 5 20 IIBD CCCS(=O)(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c1 538253343 YJVNFSXKWGCIKR-UHFFFAOYSA-N 437.543 4.499 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-n2nnnc2SC)c1 538532588 SJMICRZXCSIHAE-UHFFFAOYSA-N 444.542 4.437 5 20 IIBD CC(C)NC(=O)Nc1ccc(CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])cc1 539381765 RHDWORANLJHKIL-UHFFFAOYSA-N 433.468 4.117 5 20 IIBD C[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccc(NC(=O)c2ccccc2)c1 540333428 RAUJAIWCPGFECA-KRWDZBQOSA-N 444.491 4.087 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC(C(=O)N(C)C(C)C)CC2)cc1OC 543844082 CFJFGIPQMCKJAP-KRWDZBQOSA-N 435.565 4.107 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)CCCCOc1ccc(Br)cc1 544124263 ZPUDWOKBVRNUCP-UHFFFAOYSA-N 437.290 4.231 5 20 IIBD CN(C)CCOc1ccc(-c2noc(-c3cc(Br)cc([N+](=O)[O-])c3)n2)cc1 544984893 ZPXAUCHXKKMSNK-UHFFFAOYSA-N 433.262 4.015 5 20 IIBD CCOc1ccc([C@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc2)cc1 546094307 ULVMPPRSLZGQCI-JOCHJYFZSA-N 426.494 4.203 5 20 IIBD COc1ccc2nc(-c3noc(CCOc4ccc(Cl)cc4[N+](=O)[O-])n3)ccc2c1 546338206 YTFXKTSZOXUYEQ-UHFFFAOYSA-N 426.816 4.477 5 20 IIBD Cn1cnnc1Sc1ccc(-c2nc(CSCc3ccccc3)no2)cc1[N+](=O)[O-] 546449399 MUMMMTOFCBMKFA-UHFFFAOYSA-N 440.510 4.358 5 20 IIBD COc1cc(Cc2noc(Cc3coc(-c4ccc(Cl)cc4)n3)n2)ccc1[N+](=O)[O-] 546471494 BRVRUPDXIVQZGJ-UHFFFAOYSA-N 426.816 4.476 5 20 IIBD COC(=O)c1ccc(Cl)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1C 546635085 YVDUOAOBKNBYRB-UHFFFAOYSA-N 441.665 4.287 5 20 IIBD CCS[C@H](C)c1noc(-c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)n1 547196014 MOOSZSBSSYCJCG-GFCCVEGCSA-N 434.499 4.260 5 20 IIBD C[C@H](N[C@H](C)c1ccc(-n2cccn2)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 550225878 WYINXHPNTIRFCT-OLZOCXBDSA-N 431.855 4.251 5 20 IIBD CC1(C)CN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C[C@@H](C(F)(F)F)O1 553372481 UQLUDZUVTJPINJ-INIZCTEOSA-N 440.368 4.141 5 20 IIBD COc1cc(C(=O)NCC2(OC)CCC(c3ccccc3)CC2)cc([N+](=O)[O-])c1OC 554021803 NAUVUOCFSMIUKM-UHFFFAOYSA-N 428.485 4.085 5 20 IIBD CC(C)N1CCN(c2cccc(N[C@@H](c3cccc([N+](=O)[O-])c3)c3nccn3C)c2)CC1 560550552 XRSSLZFJGZSICY-QHCPKHFHSA-N 434.544 4.060 5 20 IIBD Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 560859988 JCXHTYJTXBQCMW-LBPRGKRZSA-N 442.413 4.170 5 20 IIBD O=C(Nc1ccccc1)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1Cl 563562869 XPJZTOHHWWWUOH-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCC([C@H]3NC(=O)C3(C)C)CC2)cc1[N+](=O)[O-] 568906375 UNFDXIMMJUQMLC-LJQANCHMSA-N 433.574 4.110 5 20 IIBD CO[C@H](C)c1nc(Cc2noc(Cn3c4ccccc4c(=O)c4ccccc43)n2)cs1 574247527 ZOYNPVKKHDIAMO-CQSZACIVSA-N 432.505 4.341 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)[C@@H](C)c1ccccc1C(F)(F)F 582390609 QFRNZZNLCQNSED-CHWSQXEVSA-N 437.418 4.423 5 20 IIBD Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 583296807 AJUBDYVMXQCMMU-UHFFFAOYSA-N 432.402 4.470 5 20 IIBD CC[C@]1(CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)OCCc2ccccc21 583597524 PQNXPGILDSFQHY-XMMPIXPASA-N 439.512 4.026 5 20 IIBD C[C@H](C(=O)N(c1nccs1)C1CCCCC1)N1CCOc2ccc([N+](=O)[O-])cc2C1 589303899 DHDHPAADCCWGSH-OAHLLOKOSA-N 430.530 4.000 5 20 IIBD CC(C)NC(=O)c1ccc(N[C@@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)c([N+](=O)[O-])c1 590141952 WTAPVJDDAXUSIW-MGPUTAFESA-N 442.491 4.036 5 20 IIBD NS(=O)(=O)c1ccc(NCc2ccccc2COc2ccccc2Cl)cc1[N+](=O)[O-] 600849494 OBVUMHSEZAFBOI-UHFFFAOYSA-N 447.900 4.087 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2C(F)(F)F)cc1[N+](=O)[O-] 603761270 CLFPWMLRFKLYJB-KRWDZBQOSA-N 437.374 4.292 5 20 IIBD Cc1sc(NC(=O)CCn2cc(Br)cn2)nc1-c1cccc([N+](=O)[O-])c1 603999099 WFMZXHCLZMJMAO-UHFFFAOYSA-N 436.291 4.015 5 20 IIBD Cc1[nH]c2ccccc2c1C1=CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 604444841 HXBGLUMOQPAAEW-UHFFFAOYSA-N 438.871 4.292 5 20 IIBD CC(C)Oc1ccc(CCNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)cc1 608830603 JPWOFOWEUDBCRF-UHFFFAOYSA-N 428.876 4.236 5 20 IIBD CC(C)(CCc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1I 608952940 OYAGOBLXNXZSEO-UHFFFAOYSA-N 438.265 4.341 5 20 IIBD O=C(c1ccc(NCC2(c3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])c1)N1CCOCC1 608974784 JVRUJSSDXAQJTJ-UHFFFAOYSA-N 449.429 4.230 5 20 IIBD Cc1cc(OCc2cccc(F)c2)ccc1NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 609068703 OOSGUKLVQQVUMQ-UHFFFAOYSA-N 432.429 4.128 5 20 IIBD COc1ccc(NC(=O)Cn2nc(C)nc2-c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 609150739 CDHPQSHFLOKFDN-UHFFFAOYSA-N 436.255 4.116 5 20 IIBD O=C(N[C@H](c1ccc(Cl)cc1)C1CCCC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 609213410 HIOWZPJVQMZPAG-NRFANRHFSA-N 443.935 4.406 5 20 IIBD COCCN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1nc2ccccc2s1 609722962 QPKGAOLTDSQHQU-UHFFFAOYSA-N 435.889 4.306 5 20 IIBD CC(=O)Nc1ccc(CC(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)cc1 609817083 MHFVKPWXAVWMSJ-UHFFFAOYSA-N 445.435 4.180 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCc2sc(Br)cc2C1 611515007 BKLHFTUZHACUES-UHFFFAOYSA-N 433.230 4.219 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc([C@H](C)c2ccc(Br)cc2)no1 612980645 JIJHBIKIZKVRPY-VXGBXAGGSA-N 445.273 4.383 5 20 IIBD COC(=O)C[C@@](C)(NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)c1ccncc1 614432868 DLUFNLVMHVRUNW-JOCHJYFZSA-N 443.525 4.233 5 20 IIBD CC(C)c1[nH]nc(C(=O)N2CCC(c3ccccc3C(=O)OC(C)(C)C)CC2)c1[N+](=O)[O-] 615294923 RBDBCRLUVYYHHP-UHFFFAOYSA-N 442.516 4.416 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@@H](C)c1sc(-c2ccccc2)nc1C 619490922 SGDDJEAXSZYVBA-AWEZNQCLSA-N 447.538 4.417 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)[C@H](C)c1ccccc1C(F)(F)F 619494256 LKAXCZOBUUSZGS-RYUDHWBXSA-N 432.420 4.093 5 20 IIBD O=C(Nc1ccc2c(c1)CCC2)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727585319 CUETWIOZCSTZSG-UHFFFAOYSA-N 434.418 4.456 5 20 IIBD CC(=O)Nc1ccc(-c2csc(NC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])n2)c(F)c1 727708463 YXSWEAVUOZFWPH-UHFFFAOYSA-N 436.371 4.346 5 20 IIBD CCCOc1cn(-c2ccccc2)nc1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 728515061 XOPTYCVHNDCWND-UHFFFAOYSA-N 428.876 4.495 5 20 IIBD O=C(OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 730615237 WJCPDTVJUXXIIX-JKSUJKDBSA-N 435.263 4.138 5 20 IIBD Cc1nc(-c2ccc3ccccc3c2)n(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)n1 735233243 NLEUCWQERLEMFR-UHFFFAOYSA-N 429.436 4.313 5 20 IIBD CCCN1C(=S)N[C@@H](c2sc(C)nc2C)C(C(=O)Nc2cccc([N+](=O)[O-])c2)=C1C 736539762 UOPDRVNWUIXBSU-QGZVFWFLSA-N 445.570 4.222 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[C@H](C)Cc1ccccc1F 737475359 IJUBLFLSHJNPNI-OAHLLOKOSA-N 426.448 4.400 5 20 IIBD O=C(c1ccc(I)c([N+](=O)[O-])c1)N(Cc1ccccc1)CC(F)F 744378820 OZBYJVFPBRSKDT-UHFFFAOYSA-N 446.191 4.107 5 20 IIBD C[C@@H](OC(=O)c1ncoc1-c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 745006233 IYPBUQCIYQHOLL-LLVKDONJSA-N 449.341 4.453 5 20 IIBD CN(C)[C@H]1CCC[C@@H](NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 749450924 GLWIDAFNBFTBBM-CABCVRRESA-N 444.919 4.103 5 20 IIBD Cc1nc(-c2cccc(NC(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)c2)[nH]c1C 749582658 LSLATQJFTAFGJM-UHFFFAOYSA-N 449.496 4.134 5 20 IIBD CC[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1OCC(=O)N1CCCC1 750029962 GQJITQLGGJQWBA-QGZVFWFLSA-N 428.445 4.067 5 20 IIBD Cc1ccc(C(=O)OCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1[N+](=O)[O-] 750103671 XPXRJORXRNVFJY-UHFFFAOYSA-N 439.449 4.013 5 20 IIBD CC(C)Oc1ncccc1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 750845715 RRSDJNNTOWMIDN-UHFFFAOYSA-N 428.670 4.123 5 20 IIBD Cc1cccc(NC(=O)N2CCC[C@H](C(=O)OCc3nc4cc([N+](=O)[O-])ccc4o3)C2)c1 751652054 RGINSKOEBZTVFO-HNNXBMFYSA-N 438.440 4.032 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@H](C)c1cc(F)cc(F)c1 756325459 PLQRXUUCNBOTOZ-XIKOKIGWSA-N 438.452 4.029 5 20 IIBD COc1cc(C)ccc1CNc1cc([N+](=O)[O-])c(OC)c(Br)c1[N+](=O)[O-] 757772841 BVKWCTCMKZICIQ-UHFFFAOYSA-N 426.223 4.203 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NC[C@](C)(O)c3ccc(F)cc3)cc2[N+](=O)[O-])n1 759970609 DECCNZAEAILELU-FQEVSTJZSA-N 447.513 4.288 5 20 IIBD C[C@@H](c1ccc(F)c(F)c1)N(C)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 760854539 CGDTVQYCXWYVOZ-VIFPVBQESA-N 435.246 4.017 5 20 IIBD C[C@@H](C(=O)OC[C@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1cccc([N+](=O)[O-])c1 764073937 RXUWQUHXOBZMBP-KGLIPLIRSA-N 447.285 4.057 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Br)N1Cc2ccc(Br)cc2C1 765206077 DNFMPRSZMXFFJY-UHFFFAOYSA-N 426.064 4.276 5 20 IIBD CC(=O)[C@@H](Cc1c(F)cccc1F)OC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 768599729 WRQSFWANZBVYTK-QGZVFWFLSA-N 447.312 4.171 5 20 IIBD O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)c([N+](=O)[O-])c1N[C@@H]1CCC[C@@H]2OCC[C@@H]21 771170043 IOQIVXKROOTXEB-BXXLAGKGSA-N 446.504 4.242 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCO[C@H](c2ccc(F)cc2Cl)C1 773390142 TXCBZZHPLXCGNM-KRWDZBQOSA-N 428.247 4.324 5 20 IIBD CCOc1ccccc1NC(=O)[C@H](C)OC(=O)c1sc(Br)cc1[N+](=O)[O-] 773614397 UZUUNXHPXNHTGO-VIFPVBQESA-N 443.275 4.002 5 20 IIBD COc1ccc(CSCC(=O)Oc2cc(Cl)cnc2Br)cc1[N+](=O)[O-] 775506211 DREJIVPYHWUJIU-UHFFFAOYSA-N 447.694 4.253 5 20 IIBD CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 779125937 DCINNPWXCQVZAL-UHFFFAOYSA-N 440.500 4.472 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCSC[C@H]1c1ccc(Cl)cc1 781644895 WXTVAQKSWTUOMR-SFHVURJKSA-N 435.889 4.406 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(OCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)n1 782055073 BSPMJFXYGFCCEO-KRWDZBQOSA-N 448.479 4.115 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)NC[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] 784350202 ITIYAXBGWXBCFK-ZHRRBRCNSA-N 434.537 4.301 5 20 IIBD CC(C)(C)OC(=O)NCc1cccc(C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)c1 787875799 SEFXMPAINMBDGJ-UHFFFAOYSA-N 427.413 4.118 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)C2(C(=O)OCc3ncc(C)c([N+](=O)[O-])c3C)CCCC2)c1 789429709 GTKKDHDTKKJCAF-UHFFFAOYSA-N 446.525 4.053 5 20 IIBD Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc(Br)c([N+](=O)[O-])c1 791981662 XSBCQNRQRXEJMI-YJBOKZPZSA-N 430.302 4.114 5 20 IIBD O=c1oc(-c2ccccc2[N+](=O)[O-])nn1CN(Cc1ccc(C(F)(F)F)cc1)C1CC1 794616826 MFCSLJQAIUDLJU-UHFFFAOYSA-N 434.374 4.052 5 20 IIBD Cc1nc2cc(C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)ccc2o1 795683157 WRKCNKIPVLIIOU-VIFPVBQESA-N 437.330 4.247 5 20 IIBD CCC[C@@H](C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccccn1 799536217 OLOLURBFSFSSLO-CYBMUJFWSA-N 425.363 4.074 5 20 IIBD Cc1c(C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 800540204 AMPSDWLJOABNGY-UHFFFAOYSA-N 438.362 4.250 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C(C)(C)C1 801585056 CIRRTESAJOXPDV-GOSISDBHSA-N 430.505 4.375 5 20 IIBD C[C@H](CC(=O)N(C)CCc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 803408491 IMIUFEXWZQBEST-IEBWSBKVSA-N 433.549 4.269 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 807531104 MNLGRQFEJKAYFL-UHFFFAOYSA-N 444.850 4.213 5 20 IIBD C[C@H](Oc1ccccc1NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(F)(F)F 807744673 GOMLSDGHOOYDEI-NSHDSACASA-N 427.335 4.404 5 20 IIBD O=[N+]([O-])c1cc(OS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)ccc1Cl 808349827 NEIFJTFINHOKFP-NSHDSACASA-N 448.280 4.085 5 20 IIBD O=C(c1cc(F)c([N+](=O)[O-])cc1F)N1CCOc2c(Cl)cc(Br)cc21 813276684 RXMIZLICLVWPTN-UHFFFAOYSA-N 433.592 4.328 5 20 IIBD Cc1ccc(C(=O)N2CCC(NC(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC2)cc1 813436755 LRQPUAFFKAXBED-UHFFFAOYSA-N 436.295 4.245 5 20 IIBD COc1ccccc1-c1nc(COC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)cs1 814483818 YHZDCLTWEUSQCD-UHFFFAOYSA-N 431.445 4.289 5 20 IIBD C[C@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1cccc(N2CCCC2)c1 815027164 YBPMAMMMBLEKNA-LBPRGKRZSA-N 427.885 4.027 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1cccn(Cc2ccccc2)c1=O 815196983 SSICMRBVBAADHI-UHFFFAOYSA-N 432.354 4.181 5 20 IIBD COc1ccc(C(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c(OC)c1 815511869 ZKJLDTLOCHYGFW-SNVBAGLBSA-N 427.331 4.059 5 20 IIBD O=C(OCc1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 866447556 KNPMFEQHYNIUJR-UHFFFAOYSA-N 446.868 4.406 5 20 IIBD C[C@@H](OC(=O)c1ccc(OCC(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 914986740 FSJXGGZTGIYTHA-SNVBAGLBSA-N 446.765 4.373 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1nc(-c2ccc(OC(F)F)cc2)cs1 915282892 YBGUPZIBZFAVDX-UHFFFAOYSA-N 445.407 4.308 5 20 IIBD CCNC(=O)c1ccc(Cl)cc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 916501979 KWHOTIMRKXMNGR-UHFFFAOYSA-N 445.781 4.191 5 20 IIBD O=C(NS(=O)(=O)c1cc(Cl)sc1Cl)c1cc2cc([N+](=O)[O-])ccc2s1 916818691 YZYSNOLKBOOXNW-UHFFFAOYSA-N 437.307 4.297 5 20 IIBD CC1CCN(c2ccc(C(=O)OCc3cncc(Br)c3)cc2[N+](=O)[O-])CC1 918605184 XQJVUTMKKSTQGN-UHFFFAOYSA-N 434.290 4.346 5 20 IIBD CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NC[C@@H]1CCCC[C@@H]1C(C)(C)C 920040984 XGQCGDVQLLUJKU-JYJNAYRXSA-N 439.578 4.008 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)C[C@H](C)c2ccc(C(F)(F)F)cc2)cc([N+](=O)[O-])c1C 920100050 GSZOMZIWZWZETC-LBPRGKRZSA-N 444.431 4.229 5 20 IIBD Cc1nc([N+](=O)[O-])c(Br)n1CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl 920750777 FSSFSZLNHULNBB-SSDOTTSWSA-N 436.093 4.046 5 20 IIBD CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)NCc3ccccc3[N+](=O)[O-])cc2)cc1 1115954464 LTDPGVVFKDXUKT-UHFFFAOYSA-N 441.465 4.112 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(I)c2C)c1 1116517344 GYILTSMTNVHJOJ-UHFFFAOYSA-N 428.251 4.482 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c(Br)c1 1116650620 CAGLAOJUSCROSS-CYBMUJFWSA-N 433.228 4.410 5 20 IIBD COc1cc(F)cc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)c1 1319110761 KNGZSAVVEZTMKI-UHFFFAOYSA-N 442.369 4.115 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(-c3cccc4ncccc34)o2)c(I)c1 1329248761 WCTYIBYDCOHUKB-UHFFFAOYSA-N 444.188 4.465 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]3C3CC3)cc2)CCC1 1786049532 SEWLYKHLYFNCOI-VGKNGNLDSA-N 435.480 4.381 5 20 IIBD Cc1ccccc1C(=O)N1CCC2(CCCN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)C2)CC1 1805682751 IBIMVMHBPVVAJI-VQHVLOKHSA-N 437.496 4.054 5 20 IIBD Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1 1823615131 MRMIIMCDVNZEHM-LJQANCHMSA-N 425.485 4.043 5 20 IIBD C/C=C/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1824842534 JVOXEBSETIEONR-PFPFLHIISA-N 439.556 4.279 5 20 IIBD O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1c(Cl)cc(Cl)cc1Cl 16516318 PEZMXNSROGLBIE-UHFFFAOYSA-N 443.718 4.316 5 20 IIBD Cc1ccc(Nc2nnc(SCC(=O)N3CCc4cc([N+](=O)[O-])ccc43)s2)cc1 17231105 XLXYKDZJTFNBBE-UHFFFAOYSA-N 427.511 4.180 5 20 IIBD CCn1c(S[C@@H](C)C(=O)NCc2ccccc2OC)nc2cc3ccccc3cc2c1=O 18467526 NJAAFODGTYEANG-INIZCTEOSA-N 447.560 4.375 5 20 IIBD Cc1ccc(C2=NN(C(=O)COC(=O)c3ccc(C)c([N+](=O)[O-])c3)[C@@H](c3ccco3)C2)cc1 21172216 FLURRDYTKHFCIT-OAQYLSRUSA-N 447.447 4.339 5 20 IIBD CSc1cccc(NC(=O)[C@@H](C)OC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 24184325 QUJSPENKTGCVNF-OAHLLOKOSA-N 443.525 4.104 5 20 IIBD COc1cc(CC(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)ccc1C 26249224 OFULZLSJDROTDZ-GFCCVEGCSA-N 440.374 4.044 5 20 IIBD C[C@H](OC(=O)Cc1ccccc1Cl)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 28627231 JKBUKSVULKMZHY-LBPRGKRZSA-N 445.884 4.485 5 20 IIBD CCc1cc(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 59577592 NPODPLDCPHESHK-UHFFFAOYSA-N 444.495 4.099 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccccc1-c1ccc(CN2CCCC2)cc1 60318449 KZKDSPVJPMRFBT-UHFFFAOYSA-N 447.539 4.069 5 20 IIBD COc1ccc(-c2nc(C)c(C(=O)NCCc3ccc([N+](=O)[O-])cc3)s2)cc1OC 64777629 GWGWDGZREBKEAT-UHFFFAOYSA-N 427.482 4.016 5 20 IIBD O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 65110547 ZPJWDZHGKRIXFP-UHFFFAOYSA-N 440.500 4.252 5 20 IIBD COc1cc(C(=O)N2CC[C@@H](N3CCCC3)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 110514066 WLAYMMXQDZQXNL-QGZVFWFLSA-N 445.903 4.359 5 20 IIBD CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 261484280 ZGAHYTAILPWOII-LJQANCHMSA-N 427.432 4.211 5 20 IIBD O=C(Nc1ccc(Br)cc1)C1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 301296874 YCQJMHRQFGTDHD-UHFFFAOYSA-N 439.697 4.261 5 20 IIBD Cc1nc(Sc2nnc(-c3cnccn3)n2-c2ccc(Cl)cc2)ccc1[N+](=O)[O-] 301701854 GFXZNQFXXWDPRP-UHFFFAOYSA-N 425.861 4.141 5 20 IIBD CCN1CCC(n2nccc2NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 302794335 SZWWAUPFPUCXIW-UHFFFAOYSA-N 434.500 4.444 5 20 IIBD O=C(Nc1ccc(OC2CCCC2)cc1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303446609 ISAICAMKHOISDJ-QGZVFWFLSA-N 429.498 4.221 5 20 IIBD Nc1c(C(=O)N2CCC(F)(c3ccccc3OC(F)(F)F)CC2)cc(F)cc1[N+](=O)[O-] 410172537 REPCSTNYAYXTNJ-UHFFFAOYSA-N 445.344 4.316 5 20 IIBD COc1cc(C(=O)Nc2ccc(C(F)(F)F)c(OC)c2)c([N+](=O)[O-])cc1OC(F)F 426920233 DAKMSXXAGVOSDC-UHFFFAOYSA-N 436.289 4.485 5 20 IIBD CCN([C@@H](c1cccnc1)c1ccc(F)cc1F)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 431907807 UFUWFCMEIRXZMJ-NRFANRHFSA-N 447.463 4.377 5 20 IIBD COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 431980606 JCFTWJAUTRFCPS-MRXNPFEDSA-N 432.908 4.070 5 20 IIBD CCN(CC)C(=O)COc1cccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1 436091171 HRUBYZNTNIABIK-UHFFFAOYSA-N 443.503 4.181 5 20 IIBD C[C@H](COc1ccc(F)cc1F)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 436144916 RJUFSBLVPYNQIA-GFCCVEGCSA-N 426.394 4.296 5 20 IIBD O=C(CCCOc1ccccc1)Nc1ccc(CNC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 436960066 PDPKHYFSHVJPJE-UHFFFAOYSA-N 449.463 4.028 5 20 IIBD O=C(c1ccc(OCC(F)(F)C(F)F)nc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437114714 MORIIRSIOXMPEZ-UHFFFAOYSA-N 427.354 4.074 5 20 IIBD COC(=O)c1ccc(N2CCCC2)c(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 437368418 KAHKXXZEFUDAGC-UHFFFAOYSA-N 437.374 4.253 5 20 IIBD CCCN(C(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 441478669 PHJZLKMIOKIROB-LJQANCHMSA-N 439.512 4.046 5 20 IIBD CCOCCO[C@H]1CCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 441679354 MPOVNKYAOOONJL-GHTZIAJQSA-N 447.919 4.055 5 20 IIBD CCOC(=O)[C@H](Cc1ccccc1Cl)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 444325548 GFKHRGGBJHCPCS-QFIPXVFZSA-N 448.906 4.239 5 20 IIBD COc1cccc(Cc2nnc(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)s2)c1 445189590 SPXUJSPMAPGOSV-UHFFFAOYSA-N 442.500 4.385 5 20 IIBD C[C@H](NC(=O)Cc1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1)c1ccc(Cl)cc1Cl 445770545 ZRZFHEXBTZHZEQ-VIFPVBQESA-N 437.239 4.077 5 20 IIBD COc1cc(Cc2noc(Cc3nc(-c4ccsc4)oc3C)n2)c([N+](=O)[O-])c(OC)c1 445821481 YTRIKKPRNQSHDO-UHFFFAOYSA-N 442.453 4.202 5 20 IIBD CCOC(=O)[C@@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)c2ccccc21 446247700 KYVDDXDVBLSQAQ-MRXNPFEDSA-N 433.258 4.055 5 20 IIBD C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 446253453 RBEPUYJHZJSBQQ-PIGZYNQJSA-N 426.803 4.452 5 20 IIBD COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c(OC)cc1Cl 446989617 NEZQMJLJKDVUFP-UHFFFAOYSA-N 440.783 4.085 5 20 IIBD Cc1cc(N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)c(F)cc1[N+](=O)[O-] 461774942 IMFUESPMVUAPQG-UHFFFAOYSA-N 437.269 4.055 5 20 IIBD CN(CC(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1)c1ccccc1[N+](=O)[O-] 463512232 FKHYUXPJGZHSQP-UHFFFAOYSA-N 426.860 4.297 5 20 IIBD O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464661548 JFSOQOHRRGWBHT-UHFFFAOYSA-N 426.860 4.322 5 20 IIBD O=C(CCc1ccccc1OC(F)(F)F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464663130 MGNNDRSNJWXNIM-UHFFFAOYSA-N 438.402 4.496 5 20 IIBD C[C@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1nc(C2CCCCC2)no1 467033049 ABDBXDAQIFMTQB-HNNXBMFYSA-N 443.504 4.340 5 20 IIBD Cc1sc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)nc1-c1ccc2c(c1)CCC(=O)N2 467768494 VZBYNDBXWYEOEI-UHFFFAOYSA-N 448.464 4.040 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(=Cc2ccc(F)c(F)c2)CC1 469447064 XLOCXVPGCIJEFA-UHFFFAOYSA-N 431.439 4.390 5 20 IIBD O=C(N[C@H](CCO)c1ccco1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 470560152 UCIXFXGRYMYTKD-GOSISDBHSA-N 429.860 4.307 5 20 IIBD CCOc1ccc(NC(=O)CN2CCC(=Cc3cccc(OC)c3)CC2)c([N+](=O)[O-])c1 473009100 KZSMCHBWMCJSBF-UHFFFAOYSA-N 425.485 4.120 5 20 IIBD Cn1cnc([N+](=O)[O-])c1CSc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3 476486643 CQVYCWNHUHFSMK-UHFFFAOYSA-N 445.570 4.386 5 20 IIBD CN1CC[C@@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 477514432 RHDPAPWDUPSAKG-KSFYIVLOSA-N 448.926 4.389 5 20 IIBD Cn1c(SCC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)nc2cc3ccccc3cc2c1=O 477533346 FZVSHWIATGXYMB-UHFFFAOYSA-N 443.528 4.291 5 20 IIBD CCS(=O)(=O)c1ccc(N2CCC(N[C@H](C)c3cccc([N+](=O)[O-])c3C)CC2)cc1 481733562 FSJHSPJPZKZFHD-QGZVFWFLSA-N 431.558 4.016 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(Nc3cccc(CS(=O)(=O)C4CCCCC4)c3)cc2N1 484568452 JPIGYCSBUILZCS-UHFFFAOYSA-N 443.525 4.471 5 20 IIBD COc1cc(C(=O)NC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc([N+](=O)[O-])c1C 486901631 BCPDRUMTZGCEGF-UHFFFAOYSA-N 438.402 4.366 5 20 IIBD CSc1cc2c(cc1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)OCCO2 488320843 OHYYUWJNRPXXRE-UHFFFAOYSA-N 443.403 4.428 5 20 IIBD COc1ccc([C@@H](CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)N2CCCC2)cc1 489109771 PYAZUGIZMWXRKI-HSZRJFAPSA-N 438.528 4.115 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccccc2-c2n[nH]c(-c3ccccc3)n2)cc([N+](=O)[O-])c1 489120634 CDCKKGRXEYTUDR-UHFFFAOYSA-N 443.419 4.086 5 20 IIBD Cc1cc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)ccc1NC(=O)c1ccco1 490187103 JCNFZDUOOWGFED-UHFFFAOYSA-N 431.408 4.187 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](c1ccccc1OC(F)F)C(F)(F)F 491408511 DWMOUDUMNNPFKQ-MRXNPFEDSA-N 433.333 4.336 5 20 IIBD Cc1ccc(Oc2ccccc2CNC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 494893812 QJRTXPUSMVYDOB-UHFFFAOYSA-N 435.484 4.439 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)N1CC[C@@H]([C@H]2CCOC2)C1 495880883 FAELVLWKNVZRGS-SJORKVTESA-N 429.904 4.359 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)NCc1ccccc1CN1CCCCCC1 497293923 NQFTXCJAYBSMSQ-SFHVURJKSA-N 440.544 4.096 5 20 IIBD O=C(Nc1c(-c2ccncc2)nc2ccccn12)c1cc([N+](=O)[O-])ccc1OC(F)F 497349280 BWFLKHYEBZYMEX-UHFFFAOYSA-N 425.351 4.158 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCc2c(cnn2-c2ccccc2)C1 497479519 BGJPGRRLNIAHRL-UHFFFAOYSA-N 431.477 4.103 5 20 IIBD COc1ccc(CCC(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cc1Br 499046397 WBZCADQTFXPZNZ-UHFFFAOYSA-N 445.273 4.327 5 20 IIBD CNC(=O)c1ccc(Cl)c(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c1 500313579 FNYDZMQMDYSUDB-KBPBESRZSA-N 444.919 4.342 5 20 IIBD COc1cccc(CNC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)c1OC1CCCC1 501498366 NIFVYNSWIHAAFR-UHFFFAOYSA-N 437.452 4.109 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(NC(=O)c2cccs2)cc1 501799702 RRSAAMORNDSIFH-UHFFFAOYSA-N 431.495 4.272 5 20 IIBD COc1cc(CSCc2nc(N)c3ccccc3n2)c([N+](=O)[O-])cc1OCC(F)F 502636518 KMUPNPYWFVLTNC-UHFFFAOYSA-N 436.440 4.206 5 20 IIBD COc1ccc(NC(=O)CNc2cc(F)c(Br)c(Cl)c2)c([N+](=O)[O-])c1 506235797 XSHHLRPXAMWGMK-UHFFFAOYSA-N 432.633 4.209 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)Nc2ccc(C)cc2)CC1 506619027 BXSVZQDZASQHKE-UHFFFAOYSA-N 442.541 4.395 5 20 IIBD COCCCN(Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cc(Cl)ccc1Cl 506735990 YZVFROWCVFRVNZ-UHFFFAOYSA-N 433.313 4.129 5 20 IIBD C[C@H]1CN(Cc2ccc(CNC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2)C[C@@H](C)O1 507301738 HLWAMDDDQJTARE-IYBDPMFKSA-N 439.537 4.349 5 20 IIBD COCc1nc(CNC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)c(-c2ccccc2)s1 508364330 VKXYHQPNXKWWFK-UHFFFAOYSA-N 427.482 4.112 5 20 IIBD O=C(NC1(Cc2cccc(F)c2)CCOCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 508623500 RJUXJZAZAZRBHD-UHFFFAOYSA-N 430.479 4.342 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CCCc2cc(F)ccc21 510466710 ZSLOEDDQVXIMPL-UHFFFAOYSA-N 440.212 4.240 5 20 IIBD C[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(NC(=O)NC2CC2)cc1 510870278 ZIMIBUCUPJZLLV-NSHDSACASA-N 449.414 4.363 5 20 IIBD Cc1cc(OC(F)F)c(C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])s1 510918825 GDAMUXRUTAKAEP-CYBMUJFWSA-N 442.440 4.379 5 20 IIBD CCn1c(CCNC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)nc2ccccc21 511489284 JOLHMICHUXVZHM-UHFFFAOYSA-N 431.290 4.008 5 20 IIBD COCCCCN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 512755453 YATPVPLVZYZPPA-UHFFFAOYSA-N 426.922 4.174 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNCc3ccccc3CN3CC[C@H](O)C3)o2)c(Cl)c1 514250496 VFDXHBCOVSXKAF-IBGZPJMESA-N 441.915 4.365 5 20 IIBD CCOC(=O)C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1cccc(OC)c1 515451527 INAGGWUVIPYKLC-QGZVFWFLSA-N 428.466 4.242 5 20 IIBD O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(c3nc(O)c4ccccc4n3)CC2)s1 517654761 BZAOVJDPXMDZMM-UHFFFAOYSA-N 447.520 4.294 5 20 IIBD Cc1ccc(C(=O)N(Cc2ccccc2Br)C2CCN(C)CC2)cc1[N+](=O)[O-] 518022824 LVDGBVYKNGYUSU-UHFFFAOYSA-N 446.345 4.402 5 20 IIBD COc1ccc(-c2ccc(CNCCNC(=O)c3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1 518772517 IYDGQZCBAANGFX-UHFFFAOYSA-N 429.860 4.036 5 20 IIBD CC(=O)NC[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 521419148 FHLVYXXTWUIUBK-HNNXBMFYSA-N 431.876 4.029 5 20 IIBD COc1ccc(CC(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)cc1[N+](=O)[O-] 533473857 DMMJDXJTBKVSQD-UHFFFAOYSA-N 429.436 4.237 5 20 IIBD O=C(CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1cc(Cl)c(Cl)cc1Cl 533515157 VOVOWINKBWQDFH-JTQLQIEISA-N 444.706 4.075 5 20 IIBD COc1cc(CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C2CC2)ccc1OC(F)F 534723987 XHUZLNPQQMOIPM-UHFFFAOYSA-N 435.427 4.122 5 20 IIBD CC[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H](c1ccc(C)cc1)n1cncn1 535220435 OZNKSQMJKUUKJJ-IEBWSBKVSA-N 447.417 4.312 5 20 IIBD CN1CC[C@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 535675658 NLWRFKNSCGASFP-JLTOFOAXSA-N 437.924 4.289 5 20 IIBD O=C(NCCNc1ncnc2ccc([N+](=O)[O-])cc12)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 536097896 GAPBFKXNXHSUFU-CABCVRRESA-N 446.294 4.177 5 20 IIBD CC[C@H](C)n1ncc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1C1CC1 536490368 DRALRYOERVJLNY-JTQLQIEISA-N 443.323 4.203 5 20 IIBD COc1ccc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)c(OC)c1OC 537153049 IDLYOTXRSLITSD-UHFFFAOYSA-N 429.454 4.021 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCC(C)(C)CCCO)c([N+](=O)[O-])c2)c(C)c1 538938624 FEUXVNICFIKBQZ-UHFFFAOYSA-N 435.546 4.223 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1 539347852 CYVVMVMLEKGQHH-INIZCTEOSA-N 443.573 4.433 5 20 IIBD Cc1cc(C(=O)NCC(=O)N[C@H](Cc2ccccc2)c2sccc2C)ccc1[N+](=O)[O-] 542949882 CQZHZHMXZDJBMH-LJQANCHMSA-N 437.521 4.103 5 20 IIBD Cc1cc(C(=O)NCC(=O)N[C@@H](c2cccc3ccccc23)C(F)(F)F)ccc1[N+](=O)[O-] 543941764 IFAZJLJWVULCPT-FQEVSTJZSA-N 445.397 4.206 5 20 IIBD O=C1CCCN1c1ccc(Cl)c(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)c1 545669766 VFEYXTSZOPJTQR-UHFFFAOYSA-N 427.848 4.080 5 20 IIBD CCN([C@H](c1cccnc1)c1ccc(F)c(F)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 546883387 HLSZXVPQSLIJBU-FQEVSTJZSA-N 433.436 4.068 5 20 IIBD Cc1cccc(C(C)C)c1NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C 547230635 FURPFWOGZHBGFT-UHFFFAOYSA-N 426.498 4.004 5 20 IIBD CSc1ccccc1CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 549652118 VJDLKXMINYJCBO-INIZCTEOSA-N 439.541 4.248 5 20 IIBD CSc1ccccc1CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 549652119 VJDLKXMINYJCBO-MRXNPFEDSA-N 439.541 4.248 5 20 IIBD O=C1[C@@H]2CCCCN2C(=O)N1Cc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 554393469 SFMKPLNJJYTUJA-INIZCTEOSA-N 433.823 4.496 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)Nc2cnn(-c3ccc(Cl)cc3)c2)cc1[N+](=O)[O-] 556550312 XEIKINVJIQHAJD-UHFFFAOYSA-N 441.875 4.309 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CNCc2cccc(OC(F)F)c2)c1 558490765 GJWWJIKOLVHRCE-UHFFFAOYSA-N 434.180 4.091 5 20 IIBD Cc1cccn(Cc2c(F)cccc2NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1=O 561885559 DTRWAIFUUOFAJZ-UHFFFAOYSA-N 436.443 4.079 5 20 IIBD C[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccc(Br)cc1F 561886056 SBVRBCDFUPIGPZ-LLVKDONJSA-N 433.237 4.173 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cccc(C(=O)N2CCCC2)c1 567762482 OESGHHHPHLKIRO-UHFFFAOYSA-N 432.274 4.154 5 20 IIBD CSc1ccc(C(=O)Nc2cc(F)c(Cl)cc2N2CCOCC2)cc1[N+](=O)[O-] 570549788 WVLRPTISHPZJLI-UHFFFAOYSA-N 425.869 4.198 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CC[C@@H](n3cc(Cl)cn3)C2)cc1[N+](=O)[O-])c1ccccn1 576914481 XOSLMHGTPCXHFI-WMLDXEAASA-N 440.891 4.100 5 20 IIBD O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 578290376 AKNWHEBFCPKMND-VQTJNVASSA-N 446.866 4.241 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)Nc3cn(C)nc3-c3cnn(C)c3)cc2[N+](=O)[O-])cc1 578697695 PNJDEWVVHNFHPV-UHFFFAOYSA-N 448.508 4.441 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3nnc(C4CCOCC4)s3)cc2[N+](=O)[O-])C1 584073283 WZGHEUNCBOBRQU-OKILXGFUSA-N 445.545 4.075 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCC(C)(C)CN(C)C)c([N+](=O)[O-])c2)c(C)c1 603475222 ZGSXCZOCDBFJLX-UHFFFAOYSA-N 434.562 4.012 5 20 IIBD C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1cccc(NC(=O)Cc2ccccc2F)c1 603764554 LXDDIWXFPSBYOI-CYBMUJFWSA-N 427.457 4.468 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccc(C(=O)NCC(C)C)cc3)cc2)c(C)c1[N+](=O)[O-] 603971418 KGPOGCNJJLLLRC-UHFFFAOYSA-N 449.511 4.095 5 20 IIBD CC[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(Cl)cc1 604136340 ATUUUYBBECNWPP-ZDUSSCGKSA-N 427.791 4.056 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C[C@H]1CCCO[C@H]1c1ccccc1 604520834 VINDZXFKVZFVMI-JPYJTQIMSA-N 427.501 4.032 5 20 IIBD Cc1ccccc1-c1cc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n(CCO)n1 608944050 JVWUJDGQRGDYGG-UHFFFAOYSA-N 449.492 4.135 5 20 IIBD CN(Cc1ccsc1)C(=O)c1ccc(C(=O)N(C)Cc2ccsc2)c([N+](=O)[O-])c1 609043741 PMZOYXFATDQGGT-UHFFFAOYSA-N 429.523 4.262 5 20 IIBD Cc1nc(C(C)(C)NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)no1 609170868 XFFFRHXXLJIQFC-UHFFFAOYSA-N 429.864 4.217 5 20 IIBD O=C(Nc1ccc(Oc2ccccc2)cn1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 609505557 MUPLMQUIDOBXAV-INIZCTEOSA-N 438.465 4.087 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NC[C@@H](CO)Cc3ccccc3)cc2[N+](=O)[O-])n1 609883812 VETSTJIIHAAPES-INIZCTEOSA-N 443.550 4.092 5 20 IIBD CC(C)(C(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1)c1ccc([N+](=O)[O-])cc1 610042564 NDCOKOCTYPJNKY-UHFFFAOYSA-N 441.491 4.437 5 20 IIBD O=[N+]([O-])c1cc2c(cc1CN1CCC[C@@H](c3nc(C(F)(F)F)cs3)C1)OCCO2 611274845 QFWAWUHJQXMPOK-LLVKDONJSA-N 429.420 4.221 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC1CCN(c2cccs2)CC1 618820639 CJVVFDYYCJBEMK-UHFFFAOYSA-N 428.436 4.143 5 20 IIBD CC(C)(C)OC(=O)N1CCc2cc(NC(=O)COc3ccc([N+](=O)[O-])c(F)c3)ccc21 726509323 QBUOMHYKGYIXKZ-UHFFFAOYSA-N 431.420 4.049 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)c(C(F)(F)F)c1 727433275 MJAAFVHIRTWZOV-UHFFFAOYSA-N 447.373 4.397 5 20 IIBD C[C@@H](OC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C(=O)c1ccc(F)cc1F 731709266 HZOMFJLSQIUTKD-SECBINFHSA-N 433.285 4.242 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccc(-c3nc(-c4cccs4)no3)cc2)c1 731787562 WGJJGZXQFYFJRW-UHFFFAOYSA-N 429.435 4.141 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCc2c(ccc(Cl)c2Cl)C1 732029782 PQCDKGHPZJUSTM-UHFFFAOYSA-N 437.251 4.461 5 20 IIBD CCc1ccc(-c2csc(NC(=O)COC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])n2)cc1 732335803 PFKCKAAVKAUIII-UHFFFAOYSA-N 447.419 4.354 5 20 IIBD C[C@H]1CN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C)N1C(=O)OC(C)(C)C 733196130 GVIODOGMNZBHCK-SOUVJXGZSA-N 431.493 4.036 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC[C@@H](C)C(C)(C)C)cc2)cc1[N+](=O)[O-] 734443931 VGBYKZQSMMBCJF-OAHLLOKOSA-N 433.530 4.116 5 20 IIBD Cc1ccc(/C(O)=C(/C(=S)Nc2ccc3c(c2)OCO3)[n+]2ccccc2)cc1[N+](=O)[O-] 735295933 AQCFFQCTKXUMIE-UHFFFAOYSA-O 436.469 4.243 5 20 IIBD Cc1cc(-c2noc([C@H](C)OC(=O)c3cc(O)nc4ccc([N+](=O)[O-])cc34)n2)ccc1F 735353497 IFLQBABOGVECOY-NSHDSACASA-N 438.371 4.264 5 20 IIBD C[C@@H](OC(=O)Cc1c[nH]c2ccc(Cl)cc12)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 740302465 OHQKDPXYRXBQDT-SNVBAGLBSA-N 436.251 4.496 5 20 IIBD CCOc1cc(NC(=O)NC[C@@H](O)c2c(F)cccc2Cl)c([N+](=O)[O-])cc1OCC 741396610 ULRQKMCIGRXGLZ-OAHLLOKOSA-N 441.843 4.040 5 20 IIBD CCOC(=O)c1ccc(NC(=S)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 743022747 JSSZXLQOASPXLC-UHFFFAOYSA-N 429.498 4.012 5 20 IIBD Cc1ccc(-c2ocnc2C(=O)OC[C@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])cc1 744118294 YLODIEYPTIZDRS-QGZVFWFLSA-N 435.436 4.020 5 20 IIBD C[C@H](OC(=O)C1CC(OCc2ccccc2)C1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 747054006 IUDMTSKZBZEHHY-KTAKPFMOSA-N 432.860 4.114 5 20 IIBD CO[C@H](C)c1nc(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cs1 750893120 MHIZRORHYYNZSJ-SSDOTTSWSA-N 434.699 4.105 5 20 IIBD C[C@H](NC(=O)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2)c1cccc(Cl)c1Cl 751278269 YIULMADVVIUNEL-QMMMGPOBSA-N 442.211 4.072 5 20 IIBD COc1cc(CNC[C@@]2(O)CCc3ccccc32)ccc1OCc1ccc([N+](=O)[O-])cc1 752124537 JYKFCFJZCBQREW-VWLOTQADSA-N 434.492 4.106 5 20 IIBD CC1(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCN(C(=O)OC(C)(C)C)CC1 753587686 SSWMJRBQIMCHJQ-UHFFFAOYSA-N 432.565 4.190 5 20 IIBD COc1cc(C(=O)N[C@H]2CCOc3c2ccc(Cl)c3Cl)c([N+](=O)[O-])cc1OC 754476794 BEJAXUOGRBUBQE-LBPRGKRZSA-N 427.240 4.172 5 20 IIBD COc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)CCc2cccc([N+](=O)[O-])c2)c1 755204952 HIFQMKRADRIROV-DEOSSOPVSA-N 434.492 4.298 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)OCc1nc(O)c2c(-c3ccccc3)csc2n1 755811347 KJFYOGBZVPVVNF-UHFFFAOYSA-N 437.433 4.338 5 20 IIBD Cc1cccc(C)c1NC(=O)CCCOC(=O)Cc1ccc([N+](=O)[O-])cc1Br 756529674 TZHLREFLHFUOLE-UHFFFAOYSA-N 449.301 4.479 5 20 IIBD COc1cc(/C=C/C(=O)N2CCc3cc([N+](=O)[O-])ccc32)ccc1OCc1c(C)noc1C 758719508 YCKKUMWSSQTQKE-WEVVVXLNSA-N 449.463 4.390 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2NC(=O)C[C@H]2C=CCC2)c1F 760362475 IYEISJCOEIRFOA-AWEZNQCLSA-N 433.461 4.138 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])O[C@H](C(=O)NCc1ccccc1)c1ccccc1 761767473 HDCCULFDYABVQT-QFIPXVFZSA-N 436.489 4.288 5 20 IIBD O=C(COC(=O)c1c[nH]c2ccc(F)cc12)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 764174609 YAGAOOBBADKQMB-UHFFFAOYSA-N 425.294 4.030 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N(Cc1ccccc1)C[C@H](O)c1ccsc1 764569173 RFAPUQKVQNSPPW-QFIPXVFZSA-N 448.504 4.218 5 20 IIBD COc1cc(COC(=O)c2ccc(C(=O)N(C)c3ccccc3)cc2)c([N+](=O)[O-])cc1F 766218084 LHLRDEBDTUVGTR-UHFFFAOYSA-N 438.411 4.376 5 20 IIBD Cc1cnc(OCC(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)c([N+](=O)[O-])c1 767206075 VUKQCMAPOXCMBA-UHFFFAOYSA-N 440.843 4.221 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)C1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 769310795 ISBHQQWECRTMTD-ZDUSSCGKSA-N 429.464 4.321 5 20 IIBD CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 769618305 JBXJDIMFGQFXMS-SFHVURJKSA-N 428.876 4.052 5 20 IIBD COCCc1nsc(Oc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)n1 770074683 ZYQJAQSQTWRECS-UHFFFAOYSA-N 425.422 4.201 5 20 IIBD Cc1nc(Br)ccc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 773718554 VXXBNAPKEMWCAW-UHFFFAOYSA-N 434.168 4.254 5 20 IIBD CCc1nc(CC(=O)O[C@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])cs1 774366597 BROHQPNQHQDITE-MRXNPFEDSA-N 427.320 4.350 5 20 IIBD CC(C)(C)C(=O)NCCCC(=O)O[C@@H](c1ccc(Br)cc1)C(C)(C)[N+](=O)[O-] 774373819 QNYJNCMWMAPSPC-INIZCTEOSA-N 443.338 4.031 5 20 IIBD CSc1cccc(C(=O)O[C@H](C)C(=O)Nc2c(C(C)=O)oc3ccccc23)c1[N+](=O)[O-] 777073520 IMXTZZYHAVOYPT-GFCCVEGCSA-N 442.449 4.450 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)OCc1ccc(C(F)(F)C(F)(F)F)cc1 777797938 HLCIJBYUEGDMCZ-UHFFFAOYSA-N 429.301 4.342 5 20 IIBD COc1cc(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)c([N+](=O)[O-])cc1OCC(F)F 779957857 GMOXCNICPTUIKO-UHFFFAOYSA-N 442.762 4.207 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 780281964 AOOXGASWPXBIFT-UHFFFAOYSA-N 444.425 4.412 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])OCc1noc(-c2ccc(F)cc2F)n1 781179060 NZDFEOMJJRTQFR-UHFFFAOYSA-N 439.758 4.089 5 20 IIBD CC(C)(C)OC(=O)N1Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2C1 781586500 SKEYZTMPTVGJMD-UHFFFAOYSA-N 431.876 4.429 5 20 IIBD COC(=O)CSc1ccc(OC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1 784070200 RELODSXYEBMSAJ-UHFFFAOYSA-N 427.887 4.211 5 20 IIBD C[C@H](Cc1ccccc1)NC(=S)/C(=C(/O)c1ccc([N+](=O)[O-])cc1)[n+]1cccc(O)c1 786044144 RXNXIOKRKJJRJQ-MRXNPFEDSA-O 436.513 4.020 5 20 IIBD O=C(CCc1ccc(O)nc1)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 786767757 NVPCVVGKILUSPG-UHFFFAOYSA-N 441.827 4.139 5 20 IIBD Cn1ccnc1[C@@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 790512601 UNYIWQSBEBBEIY-SFHVURJKSA-N 437.258 4.223 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Oc2ccc(N(C)C(=O)OC(C)(C)C)cc2)c1[N+](=O)[O-] 790850869 JRJBDVHNZALQOV-UHFFFAOYSA-N 436.486 4.351 5 20 IIBD Cc1ccc(F)cc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 792471792 DYEXUWYUPTXGPN-LLVKDONJSA-N 439.237 4.297 5 20 IIBD O=C(NC[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2OC(F)F)C1)OCc1ccccc1 795241547 JQFGMPMITJYTMW-INIZCTEOSA-N 435.427 4.339 5 20 IIBD CN(CC(=O)Nc1ccc(-c2cnco2)cc1)c1cc(Br)ccc1[N+](=O)[O-] 795361017 GAKFVLCTXSAOAM-UHFFFAOYSA-N 431.246 4.087 5 20 IIBD COc1c(C(=O)OCC(=O)N[C@@H](c2ccc(C)cc2)c2cccs2)cccc1[N+](=O)[O-] 796311593 KVUAPNDMJTZTDO-FQEVSTJZSA-N 440.477 4.036 5 20 IIBD O=C(c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O)N(Cc1ccccc1)CC(F)F 798296165 DEEFEYLMSAVCDD-UHFFFAOYSA-N 436.802 4.047 5 20 IIBD C[C@H](OC(=O)CSc1nc2ccccc2o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 800789101 PXSJYQUTPKHKAK-JTQLQIEISA-N 435.845 4.052 5 20 IIBD Cc1ccc(-c2nn(CN(C)CCc3cccc([N+](=O)[O-])c3)c(=O)c3ccccc23)cc1 800865897 NFSKUZAZYGVKHK-UHFFFAOYSA-N 428.492 4.412 5 20 IIBD O=Cc1ccc(OCC(=O)N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)c([N+](=O)[O-])c1 804196822 AMQBRASUOINYLA-MRXNPFEDSA-N 436.386 4.211 5 20 IIBD CC(C)C[C@@H](NC(=O)OC(C)(C)C)c1noc(-c2cc([N+](=O)[O-])c3nsnc3c2)n1 809228430 KUSCZEOWUHGTTF-GFCCVEGCSA-N 434.478 4.261 5 20 IIBD CC(C)(C)OC(=O)N1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c2ccccc21 810052788 ZKTOTOSRUOEGNS-UHFFFAOYSA-N 444.463 4.324 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)Cn1nnn(-c2ccc(Cl)cc2)c1=S 813202223 SQAOJYKUTINSEA-UHFFFAOYSA-N 425.301 4.103 5 20 IIBD Cc1ccc(/C(O)=C(/C(=S)NC2CCC2)[n+]2c(C)ccc(O)c2Cl)cc1[N+](=O)[O-] 814184104 GINCTNPZIPEBQV-UHFFFAOYSA-O 434.925 4.211 5 20 IIBD CC(=O)Cc1ccc(OC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cc1 816210750 BIIAUZACRRGXSF-UHFFFAOYSA-N 434.235 4.438 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 816346984 KTQHQYCAZRXGSG-NWDGAFQWSA-N 431.411 4.179 5 20 IIBD CC(C)[C@@H](OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCSc2ccccc21 877058303 YJWGDWSIJDISRW-VZOQVYJPSA-N 426.494 4.315 5 20 IIBD CN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccccc1Cl 912629151 LVEIVWYMIZRTTL-NRFANRHFSA-N 430.936 4.271 5 20 IIBD C[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)c1cccc([N+](=O)[O-])c1 914636338 POEGRGXZIRPUNX-OCCSQVGLSA-N 433.258 4.015 5 20 IIBD O=C(CC1CC1)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 914813310 SEVKMOFAXXNSMN-SFHVURJKSA-N 433.258 4.380 5 20 IIBD CN(C)S(=O)(=O)c1ccc(NCc2cccc(OCc3ccccc3)c2)c([N+](=O)[O-])c1 917078060 XVIVNWHLNCZZCE-UHFFFAOYSA-N 441.509 4.036 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@@H](C)c1cc(F)ccc1F 917963405 WLMCYGDVNDLHBG-KPZWWZAWSA-N 438.452 4.029 5 20 IIBD CC(C)[C@H](OC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C(=O)Nc1ccccc1C(F)(F)F 919506997 DPBHFTNCPRKZMK-INIZCTEOSA-N 443.353 4.155 5 20 IIBD COc1cc(C(=O)Oc2cccc3ncccc23)c([N+](=O)[O-])cc1OCc1cscn1 920000332 QIEFYPBLEYEPEN-UHFFFAOYSA-N 437.433 4.406 5 20 IIBD CC(C)(C)c1ccc(Oc2ccc(CN3CCC(OCC(N)=O)CC3)cc2[N+](=O)[O-])cc1 1116444929 IDJDKDVGHGQMIP-UHFFFAOYSA-N 441.528 4.151 5 20 IIBD O=C(NCCc1coc(-c2ccccc2)n1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 1251498153 KGIWZKHZDFUGGH-UHFFFAOYSA-N 435.358 4.163 5 20 IIBD CC(C)[C@@]1(CO)CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 1261207090 OHACOEXMZHOFSH-QFIPXVFZSA-N 431.920 4.341 5 20 IIBD CS(=O)(=O)Nc1cccc(F)c1CNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] 1319564026 KNGLYUZXRXXGPT-UHFFFAOYSA-N 441.790 4.390 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1)N1CCC(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC1 1322111032 MGVHQKMOFUDGRB-UHFFFAOYSA-N 447.413 4.008 5 20 IIBD CC(=O)c1ccc(N2CCN(Cc3ccc([N+](=O)[O-])cc3Br)CC2)c(F)c1 1324150512 JTWGNKKNSGDDLB-UHFFFAOYSA-N 436.281 4.021 5 20 IIBD O=C(c1ccccc1OCc1ccc(F)cc1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1338096462 GULHQAKEXOVREO-UHFFFAOYSA-N 449.482 4.271 5 20 IIBD COc1cc(F)cc(F)c1S(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 1339603207 BWTFXRBOXKFGEE-UHFFFAOYSA-N 434.420 4.277 5 20 IIBD C/C=C(/C)C(=O)NC1(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N(C)C)cc2)CCC1 1790793240 NUYHBSOPVZEHMK-BNCCVWRVSA-N 436.512 4.375 5 20 IIBD CC[C@H](C)[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1 1792397467 MCZSKOKBAYIRGX-WTLZFGJLSA-N 439.512 4.270 5 20 IIBD CC(C)(C)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)n[nH]1 1814966872 VQPSAOHDZAFDDD-MNDMWVCDSA-N 429.477 4.053 5 20 IIBD CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)CC1 1826237099 IJBQDLRLNGGQID-IBGZPJMESA-N 447.963 4.211 5 20 IIBD Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3)CC2)cc1[N+](=O)[O-] 1829873621 IUDRRDFNTPISIV-HSZRJFAPSA-N 449.551 4.379 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/C2CC2)CC1 1830729694 JZZYNLXXVQHSBO-CLNPQZTCSA-N 443.519 4.242 5 20 IIBD CCNC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2 8620667 HCMVOGLRRBFLTE-SAPNQHFASA-N 445.475 4.313 5 20 IIBD CCn1c(SCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)nnc1-c1cccc(Cl)c1 16116545 MJXAXAVMBMJZCS-UHFFFAOYSA-N 443.916 4.208 5 20 IIBD COc1ccc(S(=O)(=O)Oc2ccc(C(=O)c3ccc(Cl)cc3)cc2)cc1[N+](=O)[O-] 23742679 XUORSHQOHPTORS-UHFFFAOYSA-N 447.852 4.256 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(=O)OC(C)C)cc2)c1 28400996 MFIZSDZMYOCLOX-ZDUSSCGKSA-N 446.481 4.066 5 20 IIBD O=C(CSc1nnc(C2CC2)n1-c1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl 28827468 VCACGJCRRUAAQW-UHFFFAOYSA-N 429.889 4.437 5 20 IIBD O=C(NCc1cccnc1Oc1cccc(F)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 32253038 HVFYUMQMKFHBCD-UHFFFAOYSA-N 433.399 4.037 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@H](c2ccsc2)N(C)C)cc1 33047479 GJOXVZGSFVLOEB-HXUWFJFHSA-N 441.509 4.490 5 20 IIBD Cc1cc(C)c(NC(=O)CN(C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c(C)c1 64907091 QJGXXVOJVWBOJD-UHFFFAOYSA-N 438.509 4.354 5 20 IIBD Cc1cc(OC[C@H](O)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)c(C(C)C)cc1Cl 71949856 IOVDPVBVAFWPAF-QGZVFWFLSA-N 430.892 4.378 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 104736920 DPPFCEFUHYKQQE-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD CCN(CC)C(=O)c1cccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 107693872 XPWRNIDEOLNWKM-UHFFFAOYSA-N 439.390 4.270 5 20 IIBD O=C(NCc1cccc(OCc2ccccn2)c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 108608325 SOKPYXMTJAWZTJ-UHFFFAOYSA-N 432.480 4.099 5 20 IIBD O=C(NCCNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccccc1F 237880762 IMUFLHQXQLZFOH-UHFFFAOYSA-N 427.407 4.185 5 20 IIBD CC[C@@H](C(=O)N1CCC(Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1)c1ccccc1 301139670 GTRMQZKYBYPNGA-LJQANCHMSA-N 436.512 4.076 5 20 IIBD O=C(c1ccc(N2CC=C(c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1)N1CCOCC1 301596407 WIGXLJCUTHTPQF-UHFFFAOYSA-N 427.888 4.014 5 20 IIBD O=C(CCCOc1cccc(Cl)c1Cl)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 303782736 OQEGPQGPEZDFBE-ZDUSSCGKSA-N 439.299 4.169 5 20 IIBD O=C(O)[C@@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1cccc(Cl)c1 426705454 WNJMPINNWYQGPS-OAHLLOKOSA-N 431.901 4.405 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccccc1-c1c(F)cccc1F 427081769 NSSPHHFKPQFSKY-UHFFFAOYSA-N 445.809 4.448 5 20 IIBD C[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])c2ccccc2N(Cc2ccccc2)C1=O 430829738 HKECQDLHYGVJHH-SFHVURJKSA-N 445.475 4.190 5 20 IIBD CC(C)(C)N1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)[C@H](C(F)(F)F)C1 432004236 YMQBSGAEMWCRRY-GHMZBOCLSA-N 425.354 4.044 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCn2cccc2[C@H]1c1ccccc1 432369938 DBVUIVLYIOPBNR-LJQANCHMSA-N 426.270 4.404 5 20 IIBD CC1(C)CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H](c2cccc(C(F)(F)F)c2)O1 433315220 AXJZNPBAPYEZGN-GOSISDBHSA-N 437.418 4.065 5 20 IIBD CC(=O)Nc1ccc(F)c(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1 435864940 MCSCOEMUEHUKRV-UHFFFAOYSA-N 425.366 4.309 5 20 IIBD CCN(CC)[C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)Cc1ccccc1 436105176 WUNKTOBZCNMURX-NRFANRHFSA-N 427.548 4.364 5 20 IIBD CC(C)n1cnnc1-c1ccccc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 439657636 FNRKFWFVEGFITK-UHFFFAOYSA-N 434.500 4.289 5 20 IIBD Cc1ccnc(Oc2cc(NC(=O)C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)ccc2C)c1 441700574 BMQCWBYAOVQBMX-INIZCTEOSA-N 434.452 4.215 5 20 IIBD CC[C@]1(C)Oc2ccc(NC(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)cc2O1 442980167 VSEIQDSPZLRIJQ-HXUWFJFHSA-N 441.469 4.024 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O 443960881 QKICOZGNXYSIKL-INIZCTEOSA-N 448.426 4.130 5 20 IIBD O=C(Nc1ccc(-c2cc(O)n[nH]2)cc1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444646203 BAJNXDROLVJUPI-UHFFFAOYSA-N 432.386 4.308 5 20 IIBD CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1 446408830 OFGRZZVWPLPEJO-CQSZACIVSA-N 433.892 4.034 5 20 IIBD Cc1nc2c(s1)[C@H](N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)CCC2 447035033 ASRXMSVUQWLQPF-CYBMUJFWSA-N 435.449 4.077 5 20 IIBD O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCCc2c[nH]c3ccc(Br)cc23)n1 447598529 VKYOXMLBFQZJDO-ROUUACIJSA-N 432.322 4.351 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC(=O)Nc1c(Cl)cccc1Cl 460207967 XJTOUIQYYKFTTC-UHFFFAOYSA-N 449.298 4.255 5 20 IIBD CC(C)OCc1nc([C@H](C)NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)no1 461371557 HLTXPQMLFQCMFG-AWEZNQCLSA-N 425.445 4.137 5 20 IIBD CCC(CC)(C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccc(OC)c(OC)c1 461414741 VMHACAMZBCISHI-UHFFFAOYSA-N 428.485 4.091 5 20 IIBD C[C@@H]1[C@H](c2ccccc2)CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 461589164 VUQGXURPHFYGHU-JBYIUTFZSA-N 433.512 4.272 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 462616948 QHHAPEQEPUNYJL-AWEZNQCLSA-N 440.891 4.309 5 20 IIBD Cc1ccc([C@H]2OCCC[C@@H]2CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])cc1 463063524 HLMDSJWGQDRTQB-AUSIDOKSSA-N 434.496 4.448 5 20 IIBD CCOc1cccc2cc([C@@H](C)NC(=O)C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)oc12 464005207 JHTVMJFFLZDWOG-CQSZACIVSA-N 425.441 4.172 5 20 IIBD COc1ccc(CNC(=O)NCc2ccc(OCc3ccccc3F)cc2)cc1[N+](=O)[O-] 464356114 WLRYQIOEBMICHJ-UHFFFAOYSA-N 439.443 4.321 5 20 IIBD Cc1cccc([C@H]2CCCCN2C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1C 464588148 VGXHXIHNKYJEFM-GOSISDBHSA-N 429.904 4.349 5 20 IIBD O=C(c1ccc(OCc2ccncc2)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464646468 XCKGXXQQAFDGMC-UHFFFAOYSA-N 433.464 4.252 5 20 IIBD O=C(c1cccc(OCc2cccnc2)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464658783 FVKXUVLFKMQAJC-UHFFFAOYSA-N 433.464 4.252 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1cccc(OCc2cccc(F)c2)c1 465079255 UELSQMFRLHSWDP-UHFFFAOYSA-N 438.411 4.265 5 20 IIBD CC(C)CCOc1ccc([C@@H](C)NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 465163811 HNOSNSSWAQOYEP-MRXNPFEDSA-N 428.485 4.211 5 20 IIBD COc1cccc(CC(=O)N2CCc3ccc(NC(=O)c4ccc(F)cc4[N+](=O)[O-])cc32)c1 466348444 WFEBMBBMPNDYRA-UHFFFAOYSA-N 449.438 4.127 5 20 IIBD CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@@H](CC)Nc1c([N+](=O)[O-])c(C)nn1C 469342262 HHOQTWCGLOZKGX-GDBMZVCRSA-N 442.347 4.272 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1 469384530 USGKIOMJJILOMW-IIBYNOLFSA-N 436.468 4.316 5 20 IIBD CCOC(=O)c1csc(N(C)C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 471132421 HOIRJBKJQJZTAC-UHFFFAOYSA-N 449.432 4.002 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 474257229 CJLICLRUHJMMRI-ZDUSSCGKSA-N 438.328 4.319 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCN(c2ccc(Cl)cn2)CC1 475210605 QEGDEAALVXSGHW-UHFFFAOYSA-N 429.786 4.016 5 20 IIBD Cc1nc(CN(C)[C@@H]2CCCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)no1 475618757 PHXLSGOBMCJSOO-GOSISDBHSA-N 425.489 4.033 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 477971943 CYKBUASFVOWQRE-RBBKRZOGSA-N 438.462 4.292 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc2c(c1)CCC(=O)N2CC1CC1 478055441 UVGQSJPJGKWHEI-UHFFFAOYSA-N 443.887 4.345 5 20 IIBD O=C(NCCc1csc(-c2ccccc2)n1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 478058305 BVQPYRFHEDDUDK-UHFFFAOYSA-N 436.537 4.294 5 20 IIBD COc1cc(C(=O)N[C@@H](C)[C@@H](OC)c2ccccc2Cl)c([N+](=O)[O-])cc1OC(F)F 479697539 XOXQKANIDXLFJJ-DYZYQPBXSA-N 444.818 4.364 5 20 IIBD CN1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)nc2)CC1 480375595 FZZAGNMOJPUJRU-UHFFFAOYSA-N 449.536 4.145 5 20 IIBD CCN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@H](c1cccnc1)c1csc2ccccc12 481001261 RTOSILQBMSCFNR-JOCHJYFZSA-N 435.509 4.429 5 20 IIBD CCn1c([C@@H]2CCCN2S(=O)(=O)c2c([N+](=O)[O-])ccc(C)c2C)nc2ccccc21 481026753 PFRSSIRBRXZMEG-IBGZPJMESA-N 428.514 4.107 5 20 IIBD CCn1c(COc2ccc(C)cc2)nnc1Sc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 481836129 GLOLMMJMUVBJAY-UHFFFAOYSA-N 439.497 4.130 5 20 IIBD C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)C1(c2ccccc2)CCCC1 484379787 DDWFXGPSCLUETE-FUHWJXTLSA-N 441.553 4.278 5 20 IIBD COC(=O)CSCc1cccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 485251479 CGAVEYBNAMMGCH-UHFFFAOYSA-N 443.506 4.377 5 20 IIBD CCN(C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@H](C)Cc1ccccc1C(F)(F)F 485272153 HXCCMQVVRIOVPO-GFCCVEGCSA-N 441.381 4.171 5 20 IIBD O=C(Nc1c(-c2cccs2)nc2ccccn12)c1ccn(-c2ccccc2[N+](=O)[O-])n1 487059739 JDZRREBZIYILOP-UHFFFAOYSA-N 430.449 4.409 5 20 IIBD Cc1ccc([C@@H](NC(=O)Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)c2cccs2)cc1 487893827 GRQZTZOWDLQALJ-JOCHJYFZSA-N 433.489 4.185 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(CC1)OCCc1ccsc12 491839276 YNEGAGREQWHRBN-UHFFFAOYSA-N 448.566 4.099 5 20 IIBD COc1ccc(NC(=O)C[C@H](C)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(OC)c1 494465008 ADNJWGWCYRZCJX-LBPRGKRZSA-N 441.406 4.138 5 20 IIBD COCCN(C(=O)COc1ccc(F)cc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 498663200 ZWVVSKUQLCVKGZ-UHFFFAOYSA-N 449.435 4.055 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCOC[C@@H]2c2noc(-c3ccccc3)n2)cc1[N+](=O)[O-] 501910624 DQFRNYJNEDMRFF-LJQANCHMSA-N 436.468 4.156 5 20 IIBD COc1cc(CN[C@H](C)c2cccc(N3CCCC3=O)c2)c([N+](=O)[O-])cc1OCC(F)F 505471489 KMLRHTUMCCGGMA-CQSZACIVSA-N 449.454 4.225 5 20 IIBD Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 506743746 OFBAWCWNOGJDEN-UHFFFAOYSA-N 446.511 4.172 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(C(=O)Nc2cccc(F)c2)CC1 507317498 KQENYXMQMUVSNL-CYBMUJFWSA-N 448.882 4.065 5 20 IIBD Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](COc2ccccc2Cl)C1 508524382 HTJYHNGSBMBARD-OAHLLOKOSA-N 427.892 4.339 5 20 IIBD C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1ccc([N+](=O)[O-])cc1I 508995942 IANBVXJBPSYXKZ-SECBINFHSA-N 446.191 4.311 5 20 IIBD O=C(Nc1c(-c2cccs2)nc2ccccn12)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 509810068 NTIWIRJHSQQRRH-UHFFFAOYSA-N 430.449 4.409 5 20 IIBD COc1cc(C(=O)NC[C@H](C)c2ccccc2)c([N+](=O)[O-])cc1OCc1cscn1 509893716 LSWQHQHMRFGFPQ-AWEZNQCLSA-N 427.482 4.172 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CCC[C@H](CN2CCOCC2)C1 511621039 WSHNBXUDWJIRJT-LJQANCHMSA-N 447.601 4.062 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@@H](C[C@H]3CCOC3)c3ccccc3)cc2)c(C)c1[N+](=O)[O-] 512192419 CGTQPQOCHSKWRY-OFNKIYASSA-N 448.523 4.354 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1cccc(C)c1 513325717 TWSWKGCZTPPEIR-CQSZACIVSA-N 441.513 4.310 5 20 IIBD Cc1ccccc1C[C@H]1CCCN1C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 513586878 RZMWCOVBGKOSEN-GOSISDBHSA-N 437.525 4.030 5 20 IIBD O=[N+]([O-])c1cc(CN2CCC[C@H](c3nnc4n3CCC4)C2)ccc1Oc1ccc(F)cc1 513665732 HIEPADQIEDWBML-KRWDZBQOSA-N 437.475 4.444 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(Cc3ccc(Cl)c(Cl)c3)no2)c1N1CCOCC1 514690412 QQCFASCRMHBZHR-UHFFFAOYSA-N 435.267 4.379 5 20 IIBD Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)C(=O)Nc3cc([N+](=O)[O-])ccc3C)s2)cc1 518105858 IKRPYNBWGREODC-CQSZACIVSA-N 438.509 4.459 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(-c3ccccc3OCc3ccccc3)no2)ccc1-n1cncn1 518344343 MBZGJXNQYCUFGP-UHFFFAOYSA-N 440.419 4.472 5 20 IIBD O=C(N[C@@H](c1ccccc1)C1CCC1)c1ccc([N+](=O)[O-])cc1I 521496663 SCMSRMPTTOJFEA-KRWDZBQOSA-N 436.249 4.471 5 20 IIBD O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@H]1C[C@H]1c1ccc(Br)cc1 522357520 SFFOKJZZPBPRRR-HOTGVXAUSA-N 427.258 4.490 5 20 IIBD COc1ccc([C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2Cl)cc1 523519652 VSBAMYHLVISSDA-FQEVSTJZSA-N 432.885 4.325 5 20 IIBD COc1ccc(NC(=O)CSc2cc(Br)ccc2OC)c([N+](=O)[O-])c1 525004297 KZYZPSOBXAAHGD-UHFFFAOYSA-N 427.276 4.105 5 20 IIBD Cc1sc([C@@H](C)NS(=O)(=O)c2cccnc2[N+](=O)[O-])nc1-c1ccc(Cl)cc1 531533488 IIQOHOGJCIPSOW-SNVBAGLBSA-N 438.918 4.115 5 20 IIBD Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 531574618 QPFAWKJTHXQMMD-SFHVURJKSA-N 438.532 4.031 5 20 IIBD CC(C)(NC(=O)c1cccc(F)c1I)c1ccc([N+](=O)[O-])cc1 532739840 LFTJBTLGNSZREG-UHFFFAOYSA-N 428.201 4.004 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@@H](Oc2cccc(Cl)c2)C1 534005038 JJLUKGZMIWCCBM-LJQANCHMSA-N 432.907 4.488 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@H](CCCO)c3ccccc3)cc2[N+](=O)[O-])C1 534922510 VFPYPFDGRKPQSC-DBXWQHBBSA-N 425.529 4.321 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(c2cc(CC)ncn2)CC1 538559922 PZZSMDWGEORQBI-UHFFFAOYSA-N 443.573 4.238 5 20 IIBD C[C@@H]1CN(CCOC2CCN(C(=O)c3cc4ccccc4c4cccnc34)CC2)C[C@@H](C)O1 540227291 KNXNPKZNTHRSAI-WOJBJXKFSA-N 447.579 4.118 5 20 IIBD C[C@@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(NC(=O)c2ccncc2)cc1 540398343 UXAPBUCTIVIWNK-OAHLLOKOSA-N 444.451 4.143 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1nc(-c2cccc(Cl)c2)no1 541260538 HMGKATRFZAAEFC-UHFFFAOYSA-N 439.280 4.360 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(C(=O)c2ccsc2)CC1 541758770 CAQFUOXUVWJGIV-UHFFFAOYSA-N 433.555 4.145 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] 542279200 NXKROLKFDFGRKW-AEFFLSMTSA-N 427.526 4.459 5 20 IIBD CCn1c(Cc2ccccc2)nnc1Sc1ncc([N+](=O)[O-])c(C)c1Br 542521762 YELBNOGQLTWRSM-UHFFFAOYSA-N 434.319 4.414 5 20 IIBD Cc1ccc(-c2noc([C@H]3CC(=O)N(c4cccc(Br)c4)C3)n2)cc1[N+](=O)[O-] 545577506 NMLXGJRJLUSDGH-ZDUSSCGKSA-N 443.257 4.236 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2c(Cl)cc(Br)cc2Cl)cc1 548474278 LJMYKYDRVHFRNL-UHFFFAOYSA-N 426.075 4.465 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CSc3nnc4ccc(Br)cn34)co2)cc1 549076570 NUCBVRNTIVEYQY-UHFFFAOYSA-N 432.259 4.347 5 20 IIBD NS(=O)(=O)c1cccc(N[C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] 553262280 OUSJPIJAGKRBKW-KBPBESRZSA-N 429.420 4.009 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 557225789 NISSYCLRYXNMHI-DLBZAZTESA-N 433.430 4.208 5 20 IIBD CC1(C)CN(Cc2ccccc2)CC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 558738231 SISLFOHDNVNDFM-HXUWFJFHSA-N 430.936 4.077 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)Cc1nc(C(F)(F)F)cs1 559545962 LDXMNUUMKIHEHN-UHFFFAOYSA-N 438.225 4.413 5 20 IIBD Cc1cc(CNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)nc(N2CCCC2)n1 561647747 ZLXSNVPCDOIJNY-UHFFFAOYSA-N 449.536 4.375 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)c1 563973927 GCNCDHPNBIHSNG-UHFFFAOYSA-N 426.256 4.059 5 20 IIBD COc1ccc2ccccc2c1CNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 566397940 UFGJUUQXMQKGGA-UHFFFAOYSA-N 435.480 4.309 5 20 IIBD CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c2ccc(Br)cc21 568322349 DYZZSLKNAYPJNB-UHFFFAOYSA-N 442.216 4.055 5 20 IIBD O=C(c1ccc(Br)cc1)N1CCC[C@@H]1c1nc(-c2ccc([N+](=O)[O-])s2)no1 570245843 ULKSIMYUNHENRR-GFCCVEGCSA-N 449.286 4.446 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)cc2)cc1 573049352 IMRBXDSAHHYTLI-INIZCTEOSA-N 439.493 4.446 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@@H](O)COc1ccccc1C(F)(F)F 579891291 LNBFAVDWBPVUMY-OAHLLOKOSA-N 441.406 4.080 5 20 IIBD O=C(c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)N1CCc2ccc([N+](=O)[O-])cc21 589980521 NBSSKYBMXKCMAM-UHFFFAOYSA-N 447.834 4.252 5 20 IIBD O=C(NC/C=C/c1cccnc1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 590396863 FVXCEMUJDMRFHU-DUXPYHPUSA-N 434.418 4.055 5 20 IIBD CSc1ccc(C)c(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)c1 602082151 AUWOWGPHDCUSEZ-UHFFFAOYSA-N 449.535 4.167 5 20 IIBD C[C@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)c1cccc(OC(F)F)c1 603858644 OJMYVMGWJAWDIQ-ZDUSSCGKSA-N 441.456 4.154 5 20 IIBD CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 603931556 KTYARBKVBUFLKM-HXUWFJFHSA-N 440.496 4.193 5 20 IIBD CC[C@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ccccc1OCC(=O)N(C)C 603983272 SOJSVGXYOZUYSA-IBGZPJMESA-N 441.528 4.240 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(NC(=O)c2ccncc2)c1 604022229 NQAOJUMSBVHIRE-HNNXBMFYSA-N 436.493 4.039 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 604107514 DTDWVMFSBAIJDB-ZDUSSCGKSA-N 448.932 4.001 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)C[C@@H]1CCCO[C@H]1c1ccccc1 604520734 IRQXCXQZIUFYBD-MBSDFSHPSA-N 427.501 4.032 5 20 IIBD Cc1ccc(-c2csc(NC(=O)Cc3csc(-c4cnccn4)n3)n2)cc1[N+](=O)[O-] 608935243 NVOBYGVBNBCCTP-UHFFFAOYSA-N 438.494 4.121 5 20 IIBD Cc1cc(C(=O)NC2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC2)c(C)o1 608949608 WVDCXXWSWHYODV-UHFFFAOYSA-N 427.482 4.054 5 20 IIBD CCc1c(-c2ccc(Br)cc2)n[nH]c1NC(=O)COc1cccc([N+](=O)[O-])c1 609534989 LEVPBROXZAIBAO-UHFFFAOYSA-N 445.273 4.327 5 20 IIBD C[C@H]1CCCCN1[C@H](C)CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 609855215 QQOUMGHGRMZFME-QWHCGFSZSA-N 440.331 4.080 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCOc2cc(F)ccc21 609861324 XVXTUWKVTKULBW-UHFFFAOYSA-N 437.214 4.266 5 20 IIBD CCCOc1cc(NC(=O)c2ccnc(N3CCCCC3)n2)c([N+](=O)[O-])cc1OCCC 610037951 PYYUMAXHOSAMSD-UHFFFAOYSA-N 443.504 4.205 5 20 IIBD O=[N+]([O-])c1ccc2ncnc(Sc3nnc(-c4cccs4)n3C[C@@H]3CCCO3)c2c1 611700033 MBBRZQPCFDBSSR-ZDUSSCGKSA-N 440.510 4.188 5 20 IIBD COC(=O)COc1ccc(CNc2ncc(Cc3cc(F)cc(F)c3)s2)cc1[N+](=O)[O-] 616036848 PCVLMYVPFRUQIB-UHFFFAOYSA-N 449.435 4.084 5 20 IIBD COc1ccccc1NC(=O)c1ccc(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 618616702 ZXXLMWINDUQSEZ-UHFFFAOYSA-N 435.436 4.239 5 20 IIBD CC[C@@H](C)n1ncc2c(C(=O)OCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])cc(C)nc21 725955345 KNBDYSZLNMMKCJ-GFCCVEGCSA-N 445.863 4.068 5 20 IIBD Cc1ccc(OC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c(Br)c1 726498244 KOLGUQRVAWHAKZ-KRWDZBQOSA-N 447.285 4.184 5 20 IIBD CCOc1ccccc1Oc1ccc(CNC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cn1 727708612 XLWRDUDWUIYSSC-UHFFFAOYSA-N 429.379 4.389 5 20 IIBD CCCCC(=O)N1CSC[C@H]1C(=O)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 728166563 MDFXXHXPKMCMMA-KRWDZBQOSA-N 425.938 4.083 5 20 IIBD COc1cc(C(=O)N(C)CCc2ccccc2F)c([N+](=O)[O-])cc1OCc1cscn1 731593288 OTTVZXZQIQEOSM-UHFFFAOYSA-N 445.472 4.093 5 20 IIBD COc1c([N+](=O)[O-])cc(N[C@@H]2CCOc3ccc(F)cc32)c([N+](=O)[O-])c1Br 731663380 UFXBRZGLVIBLNO-SNVBAGLBSA-N 442.197 4.349 5 20 IIBD O=C(Nc1ccc(N2CCCCCC2)cc1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 732073895 MOTYUWLSWYKSRR-SFHVURJKSA-N 442.541 4.280 5 20 IIBD CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-] 734898339 YQNGDMQBTMQAOH-VBKZILBWSA-N 430.888 4.291 5 20 IIBD C[C@H](O)c1ccc(CNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cc1 736673568 RCKKTXZDIAKTED-NSHDSACASA-N 435.267 4.071 5 20 IIBD CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)c1 737647156 KCLKUIIUFJBHIB-VGOFMYFVSA-N 438.461 4.443 5 20 IIBD NC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2Br)sc2c1CCCCC2 739469863 DDBJXNXQNDAZOT-UHFFFAOYSA-N 438.303 4.039 5 20 IIBD CSc1ccc(O[C@@H](C)C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 740993004 PETQNZPTGLJACB-NEPJUHHUSA-N 438.889 4.308 5 20 IIBD COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 741237707 AQLUVOBYVRXCOL-OAHLLOKOSA-N 431.920 4.418 5 20 IIBD Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1 742961289 YCDZJAHDSNZREN-LAUBAEHRSA-N 427.457 4.326 5 20 IIBD O=C(COC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1)Nc1cc([N+](=O)[O-])ccc1Cl 745744759 WCHNIHXKEMFYBJ-OAHLLOKOSA-N 447.658 4.160 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(OCc2ccc(C)cc2)c1 746246388 KMHMYUBOTWIJMF-HXUWFJFHSA-N 437.500 4.353 5 20 IIBD C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)c1nc2ccccc2s1 746667485 CVTQQQGBIWPUJX-SECBINFHSA-N 442.316 4.007 5 20 IIBD C[C@H](OC(=O)c1ccn(-c2ccccc2Cl)n1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 747944974 UHIGSIXDIVDBIR-NSHDSACASA-N 449.250 4.271 5 20 IIBD Cc1c(C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748946285 FSNAOEPISQOSFX-UHFFFAOYSA-N 442.211 4.222 5 20 IIBD C[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)Oc1cccc(F)c1 749436720 OLWFYDYDBXRJJP-SECBINFHSA-N 431.645 4.347 5 20 IIBD Cc1c(CC(=O)OCc2ccnc(-c3ccc(Br)cc3)n2)cccc1[N+](=O)[O-] 750056602 HXSQIYPKZWCTFI-UHFFFAOYSA-N 442.269 4.409 5 20 IIBD O=C(CCCOCCc1ccccc1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 750660959 FTGQUGVZWUEJCP-UHFFFAOYSA-N 447.329 4.282 5 20 IIBD CCCN(C(=S)Nc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)c2ccccc2)CC1 751040666 OTAVFVYFJXPWKJ-UHFFFAOYSA-N 426.542 4.308 5 20 IIBD Cc1nnc(Sc2ccc(NC(=O)COc3ccc([N+](=O)[O-])c(F)c3)c(C)c2)s1 751198793 HIQPVWUYKHPAOQ-UHFFFAOYSA-N 434.474 4.371 5 20 IIBD COc1cccc(CN2C(=O)N[C@@H](c3ccc([N+](=O)[O-])cc3)C(C(=O)OC(C)C)=C2C)c1 751260325 KMBFERUGWSCDFU-NRFANRHFSA-N 439.468 4.096 5 20 IIBD COc1ccc(Cl)cc1-c1cc(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])n[nH]1 754838209 CMUMCGXIKJMTSW-UHFFFAOYSA-N 443.268 4.101 5 20 IIBD CCn1c([C@@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)nc2ccccc21 754969028 UUKMGKUVQMNQRD-SNVBAGLBSA-N 435.253 4.357 5 20 IIBD C[C@@H](C(=O)OCC(=O)Nc1ccc(N2CCCCCC2)cc1)c1ccc([N+](=O)[O-])cc1F 755060795 GHTOIQPQXBHGBV-MRXNPFEDSA-N 443.475 4.400 5 20 IIBD Cc1c(C(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 755684225 UAACMBZENGJORS-UHFFFAOYSA-N 444.444 4.131 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)CCC(=O)c1cc(Cl)sc1Cl 756609341 LSVADFUAGWKWAD-UHFFFAOYSA-N 445.280 4.416 5 20 IIBD COCCO[C@H]1CCCN([C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C1 760967207 DEQLGVUGPKXHPD-GHTZIAJQSA-N 447.919 4.055 5 20 IIBD CC[C@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1OCC(=O)N1CCCC1 761523063 QLTZLTYZOAUXMU-IBGZPJMESA-N 431.920 4.490 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Oc2ccc3c(C(F)(F)F)cc(=O)oc3c2)c1C 765151684 MQYZFCMIFKQDHO-UHFFFAOYSA-N 443.355 4.105 5 20 IIBD O=C(Nc1ccc(Cc2nnc3n2CCCCC3)cc1)c1cc(Cl)ccc1[N+](=O)[O-] 766658001 XAKKPHJBNDFSQP-UHFFFAOYSA-N 425.876 4.409 5 20 IIBD O=[N+]([O-])c1cc2c(cc1CN(Cc1ccccc1)C[C@@H](O)c1cccs1)OCCO2 769545912 RJMNNOVKVBTDTN-LJQANCHMSA-N 426.494 4.163 5 20 IIBD COc1ccc(Br)c(S(=O)(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)c1 769630361 IFPWJLDUZNVUDZ-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD C[C@@H]1CCc2c(sc3nc(CCC(=O)Oc4cc(F)cc([N+](=O)[O-])c4)nc(O)c23)C1 771635746 AXGHYUXGNIKBGG-SNVBAGLBSA-N 431.445 4.107 5 20 IIBD O=C(CCC(=O)c1ccc(Cl)cn1)OCc1ccc(Br)c([N+](=O)[O-])c1 773463594 FPZUVKQEWGPFGA-UHFFFAOYSA-N 427.638 4.112 5 20 IIBD CN(C(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 775496719 UYYNIRFVAYVJNA-GOSISDBHSA-N 444.419 4.153 5 20 IIBD C[C@@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 776013746 ZBYQRJSBSCRKFR-ODXCJYRJSA-N 431.876 4.087 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnn(CN(Cc3ccccc3[N+](=O)[O-])CC(F)(F)F)c2)c1 777955436 RKSGVVNACJMYCR-UHFFFAOYSA-N 435.362 4.389 5 20 IIBD CCC(CC)(CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)NC(=O)OC(C)(C)C 780837810 VRSIWAQPFVORGH-UHFFFAOYSA-N 437.540 4.495 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1nc(-c2ccccc2F)no1 781157036 UHHXVHARBKBIHF-UHFFFAOYSA-N 429.407 4.087 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(Cc1ccccc1)Cc1ccccc1 781600913 FFJQAMCGRKFFMN-UHFFFAOYSA-N 433.464 4.406 5 20 IIBD Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781625848 KBPCSAOIDMFBFH-JOCHJYFZSA-N 444.447 4.287 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCc1cn2cc(Cl)cc(Cl)c2n1 781669673 PKIASECSQCQWJE-UHFFFAOYSA-N 439.211 4.134 5 20 IIBD O=C(Oc1cc([N+](=O)[O-])ccc1I)c1ncoc1-c1ccccc1 782665543 SXMMDKFOCUGTAH-UHFFFAOYSA-N 436.161 4.074 5 20 IIBD CC(C)Oc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)c(Cl)c1 782800315 NLSFXWWRAAAVQX-LBPRGKRZSA-N 435.839 4.166 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N[C@H](C)C(C)(C)c2ccccc2)cc1[N+](=O)[O-] 784129506 IYOAISFWPCUUGA-CYBMUJFWSA-N 448.317 4.087 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 784586957 ZVCOXUXELCZBPM-QGZVFWFLSA-N 443.504 4.232 5 20 IIBD C[C@@]12CCN(C(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])C[C@H]1C2(Cl)Cl 791190532 CRBBQDXUKFRTGN-TZMCWYRMSA-N 427.206 4.192 5 20 IIBD Cc1c(C(=O)NCCc2cccc(OCC(F)(F)F)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 794345090 ACIADICYZKYEDB-UHFFFAOYSA-N 441.362 4.033 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3ccc(Br)c([N+](=O)[O-])c3)CC[C@@H]21 795132057 OSKQVUSRZKKPFW-ZBFHGGJFSA-N 440.338 4.189 5 20 IIBD C[C@@H](c1nc2ccccc2s1)N(C)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F 795776197 OXFNOJGDJIBQPF-VIFPVBQESA-N 429.882 4.379 5 20 IIBD Cc1ccccc1-c1noc(C)c1C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 796696869 CSKPUMMNQBLIPL-KRWDZBQOSA-N 449.463 4.328 5 20 IIBD Cc1noc(C)c1C(C)(C)C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 797508399 IVCFBHKZOPMPMH-NSHDSACASA-N 443.378 4.066 5 20 IIBD CCCCCCn1nc(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c2ccccc2c1=O 801091470 XMCVDALDEVLZAF-UHFFFAOYSA-N 436.512 4.200 5 20 IIBD O=C(c1cccn1Cc1ccccc1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 803545986 UTYALEJPILUOMI-UHFFFAOYSA-N 440.297 4.406 5 20 IIBD CC(C)(C)OC(=O)N1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c2ccccc21 813279587 KJENDOBMPNQCKA-UHFFFAOYSA-N 449.467 4.182 5 20 IIBD O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCC[C@H](c2nnc(S)n2C2CC2)C1 813450185 LGXSQERZQBGCLQ-VIFPVBQESA-N 442.328 4.137 5 20 IIBD COC[C@@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] 815040142 YHZMDNVWIWCJSG-HNNXBMFYSA-N 437.276 4.049 5 20 IIBD CC(C)[C@@H](c1ccccc1)S(=O)(=O)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 816110949 MDZUHOQJVHEUGC-INIZCTEOSA-N 430.404 4.071 5 20 IIBD CC(=O)N1CCN(c2ccc(C(=O)Oc3ccc(C4CC4)cc3Cl)cc2[N+](=O)[O-])CC1 816217641 IYVSTTQFHROBLV-UHFFFAOYSA-N 443.887 4.013 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 816346983 KTQHQYCAZRXGSG-NEPJUHHUSA-N 431.411 4.179 5 20 IIBD CN(c1ccccc1)c1ccc(CNc2ccc(S(=O)(=O)N(C)C)cc2)cc1[N+](=O)[O-] 863990594 DBJJBVVSWFHERC-UHFFFAOYSA-N 440.525 4.225 5 20 IIBD CC[C@H](C)c1ccc(C(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cc1 904221259 NHPKBCJMJDHKCD-YOEHRIQHSA-N 442.443 4.026 5 20 IIBD Cc1ccc(CNC(=O)c2cccc(CNC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2)cc1 916067920 FHQPEUKGBMOJHR-SDNWHVSQSA-N 429.476 4.163 5 20 IIBD CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NC[C@@H]1CCCC[C@H]1C(C)(C)C 920040987 XGQCGDVQLLUJKU-XHSDSOJGSA-N 439.578 4.008 5 20 IIBD C[C@H](OC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccccc1[N+](=O)[O-] 920267190 HVCYSPABWRDHDP-HNNXBMFYSA-N 426.450 4.314 5 20 IIBD O=[N+]([O-])c1ccccc1OCc1nnc(-c2cnn(-c3ccc(Br)cc3)c2)o1 1117192170 UNQHDMGBNNKGEH-UHFFFAOYSA-N 442.229 4.172 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 1252089146 SLWJWCFELRVHEO-UHFFFAOYSA-N 444.289 4.091 5 20 IIBD Cc1cccc(N2N=C(C(=O)N(CC3CC3)c3ccc(Cl)c([N+](=O)[O-])c3)CCC2=O)c1 1318259859 NRJCZOXNKHVSJX-UHFFFAOYSA-N 440.887 4.483 5 20 IIBD COc1ccc(-c2nnc(CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])o2)cc1OC 1322040688 MBWSXXVKBDWQQT-UHFFFAOYSA-N 438.362 4.335 5 20 IIBD O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1cc([N+](=O)[O-])ccc1OC(F)F 1341926926 PIYZFBHGXOWDMR-GOSISDBHSA-N 442.422 4.248 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1)c1ccc(Cl)nc1 1785756359 STDHSMDFLJOBEC-UHFFFAOYSA-N 440.843 4.298 5 20 IIBD C[C@@H]1CC[C@H](C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4F)cc3)CCC2)O1 1790621746 FIEVZXKBMIERHI-JLTOFOAXSA-N 441.459 4.049 5 20 IIBD Cc1c(C(=O)N[C@H]2CCc3nc(NC(=O)CC4CC4)sc3C2)cc(Cl)cc1[N+](=O)[O-] 1814264827 KEJBPNKXIRAWDU-ZDUSSCGKSA-N 448.932 4.039 5 20 IIBD CC(C)[C@@H](C(=O)N1CCCC12CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])C2)c1ccccc1 1841407801 WBXLFBJSYPGOCV-XIQMRYHBSA-N 447.535 4.251 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H](C2)OCc2nn(-c3c(Cl)cc(Cl)cc3Cl)c[n+]21 2332241234 OKCXDDDKLGOAPD-DOTOQJQBSA-N 438.678 4.073 5 20 IIBD O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)CC3 15188963 OCDDQEMSRLDFMX-ACCUITESSA-N 429.388 4.207 5 20 IIBD O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 15239620 PTRYSSJWVAEFLL-UHFFFAOYSA-N 436.211 4.307 5 20 IIBD COc1ccccc1CNC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 15653331 VTJYVPFRODVWQO-UHFFFAOYSA-N 436.489 4.486 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](Sc1nnnn1C1CC1)c1ccccc1 16374672 UBBLNQNLGKUHLL-INIZCTEOSA-N 430.877 4.042 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(Cn3nc(-c4cccs4)n(C4CC4)c3=S)CC2)cc1 16837633 KGBAXZNELBEQSH-UHFFFAOYSA-N 442.570 4.165 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Sc2nnc3cc(C)c4ccccc4n23)c([N+](=O)[O-])c1 22033107 SZYNCCXHJRWFFI-ZDUSSCGKSA-N 437.481 4.227 5 20 IIBD CC(C)Cn1c(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)nnc1-c1ccco1 31839586 JPJQXLMBAYWCMS-UHFFFAOYSA-N 426.458 4.445 5 20 IIBD Cc1c(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)nnn1-c1cccc([N+](=O)[O-])c1 31883321 RQTHUGKBIHPVMQ-UHFFFAOYSA-N 446.492 4.348 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] 31929987 XMHIEMZTBFUKDH-OAQYLSRUSA-N 425.529 4.305 5 20 IIBD COc1ccc(C(=O)N2CCCC2)cc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 62906429 MPPITRIWWRZDCP-UHFFFAOYSA-N 425.466 4.306 5 20 IIBD CCOc1ccccc1Nc1nnc(Sc2ccc(C(=O)NC)cc2[N+](=O)[O-])s1 64904913 BFVNKUCMFYKEKS-UHFFFAOYSA-N 431.499 4.099 5 20 IIBD CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 71935508 CRFZDJSSYCSEJO-UHFFFAOYSA-N 440.681 4.401 5 20 IIBD Cc1c(C(=O)NC[C@H](C)c2c(Cl)cccc2Cl)nnn1-c1cccc([N+](=O)[O-])c1 72077837 LNUIFPNOPVOPJQ-NSHDSACASA-N 434.283 4.324 5 20 IIBD Cc1cc(NC(=O)Cc2c(C)nn(-c3ccc(F)cc3)c2C)n(-c2ccc([N+](=O)[O-])cc2)n1 107780886 JSODLDZDKWABBP-UHFFFAOYSA-N 448.458 4.212 5 20 IIBD O=C(Cn1cc(Br)c([N+](=O)[O-])n1)N(Cc1ccc(F)cc1)C1CCCCC1 108274039 MJEDENZPEIWMJB-UHFFFAOYSA-N 439.285 4.054 5 20 IIBD Cc1occc1C(=O)Nc1cc(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])ccc1F 301120259 WGYBXXPZTKFCRJ-UHFFFAOYSA-N 433.417 4.035 5 20 IIBD Cc1cc(N2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 301810356 ZDNHXUNBDSPXNV-WBVHZDCISA-N 427.505 4.242 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(c2nc(-c3ccccn3)no2)CC1 303165736 QAPCTJXOYPUZJA-CQSZACIVSA-N 447.455 4.030 5 20 IIBD COc1ccc(CSCC(=O)NC2CCN([C@H](C)c3ccccc3)CC2)cc1[N+](=O)[O-] 303689994 MJNVPCOUFGKYTD-QGZVFWFLSA-N 443.569 4.178 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H](c2ccco2)N(C)C)cc1 409486328 RBKBFINRLWLFAE-IBGZPJMESA-N 425.441 4.021 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc(Br)cc1[N+](=O)[O-] 430306078 SGBZNAXDAINLFN-KCQAQPDRSA-N 438.322 4.079 5 20 IIBD Cc1c(NC(=O)C(=O)N(CC2CC2)C2CCCCC2)cc(Br)cc1[N+](=O)[O-] 430326954 ZPSVEJHRZBSQDL-UHFFFAOYSA-N 438.322 4.176 5 20 IIBD Cc1noc(-c2ccc(C(F)(F)F)cc2NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])n1 432476692 KSXHMDHIIVSJID-UHFFFAOYSA-N 442.375 4.081 5 20 IIBD Cn1ccnc1[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccc(F)cc1 435950858 SXRSLWKPQSMFMZ-JOCHJYFZSA-N 426.451 4.073 5 20 IIBD C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1nc(C2CCCCC2)no1 436173939 UFHUJAAHAGTJDK-VIFPVBQESA-N 449.316 4.372 5 20 IIBD CCOC(=O)C1CCN(C(=O)c2ccc(NC/C=C\c3ccccc3[N+](=O)[O-])cc2)CC1 437258843 PDWSRWJCRDSYEG-ALCCZGGFSA-N 437.496 4.135 5 20 IIBD CSc1ccc(-c2nsc(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)n2)cc1 440461396 ATKGGZLVCDGELY-UHFFFAOYSA-N 425.495 4.429 5 20 IIBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cc(F)c(F)cc1Br 441334198 USAILEDLZFHNLE-UHFFFAOYSA-N 429.173 4.049 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1ccccc1Br)CC(C)C 442169933 RYNDFBORENERCX-UHFFFAOYSA-N 448.317 4.289 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](CO)Cc1cccc(OC(F)(F)F)c1 443961436 PQYGSQNPWCTANL-OAHLLOKOSA-N 441.406 4.083 5 20 IIBD C[C@@H](NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1nc2ccccc2n1C 444039628 TZQGHLNVIMASOR-GFCCVEGCSA-N 432.430 4.337 5 20 IIBD C[C@H](c1ccncc1)N1CCC(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC1 444254875 VTNCYQBAEYIMDJ-MRXNPFEDSA-N 444.510 4.171 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccccc1C(=O)c1ccc(Cl)cc1 444646343 SIJJWDYRSZNAAQ-UHFFFAOYSA-N 434.839 4.286 5 20 IIBD COc1cnccc1-c1noc(C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 445628908 YZOIBTAJKMPXRW-UHFFFAOYSA-N 449.389 4.451 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1c(F)cccc1Br 446219986 MRYPSAVLPKTUOL-UHFFFAOYSA-N 432.043 4.440 5 20 IIBD O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 446440204 CNHQQNSBGJYODB-UHFFFAOYSA-N 435.333 4.215 5 20 IIBD CN(Cc1nc2ccccc2s1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 446964534 AVXNWUALDDHJGH-UHFFFAOYSA-N 431.417 4.044 5 20 IIBD COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 446968278 WQGVDAUVYQQDBF-MRXNPFEDSA-N 430.404 4.148 5 20 IIBD Cc1nnc(-c2cccc(NC(=O)c3ccc(N4C[C@H](C)C[C@@H](C)C4)c([N+](=O)[O-])c3)c2)n1C 448193441 LHBNEPDUWGBCEO-HZPDHXFCSA-N 448.527 4.433 5 20 IIBD O=C(NCC1(N2CCSCC2)CCCCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 463833524 BFJOWMRGVDMOPH-UHFFFAOYSA-N 431.480 4.095 5 20 IIBD COCCn1cc(NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])cn1 464570034 ZGGDONXKHQQHQJ-UHFFFAOYSA-N 432.889 4.495 5 20 IIBD Cc1c(F)ccc2sc(NC(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)nc12 465253087 BONLTMSYAXHRHB-UHFFFAOYSA-N 444.473 4.184 5 20 IIBD Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 470355566 PDDBTCJYCUYGJA-UHFFFAOYSA-N 426.473 4.183 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H](c2ccc(C)cc2)c2ccccn2)cc1[N+](=O)[O-] 471389998 LFJDAAWSFCUMMM-QHCPKHFHSA-N 437.521 4.446 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1 477094695 HDERKZCUUOAGEN-UHFFFAOYSA-N 442.415 4.100 5 20 IIBD C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)cn1 477806917 QUSKUHUZPWOCFT-VHSXEESVSA-N 428.670 4.050 5 20 IIBD CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 478863303 BLBNDPMGYHMJJX-LBPRGKRZSA-N 433.511 4.139 5 20 IIBD CCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C 478910234 ICIWHZGDVWUQGZ-UHFFFAOYSA-N 445.541 4.452 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(F)cc2Br)cc1OC 481689922 FLJNYLPFUCXJON-UHFFFAOYSA-N 441.253 4.176 5 20 IIBD CCNc1ccc(C(=O)Nc2ccc(C)cc2Oc2ccnc(C(=O)NC)c2)cc1[N+](=O)[O-] 483114727 WXSVBRFWTBDHCC-UHFFFAOYSA-N 449.467 4.134 5 20 IIBD O=C(c1c(F)ccc(Br)c1F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 485907123 PRWRCFGVKQSNSJ-UHFFFAOYSA-N 441.228 4.319 5 20 IIBD O=c1c(Cl)c(N(Cc2ccco2)Cc2ccco2)cnn1-c1ccc([N+](=O)[O-])cc1 486455539 LNANWLBZTDJIGY-UHFFFAOYSA-N 426.816 4.187 5 20 IIBD O=C(NCC1(c2ccc(F)cc2F)CCCC1)c1cc([N+](=O)[O-])ccc1SCCO 487286044 DJCYPUDERJHBNB-UHFFFAOYSA-N 436.480 4.199 5 20 IIBD COc1cc(C(=O)Nc2nc(C)c(Cc3c(F)cccc3F)s2)cc([N+](=O)[O-])c1OC 487589891 WMPZUZJRZJGVTO-UHFFFAOYSA-N 449.435 4.498 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O 487676484 UVDUUFVKOUBEPJ-QGZVFWFLSA-N 431.489 4.017 5 20 IIBD O=C(Nc1ccccc1-c1n[nH]c(-c2ccccc2)n1)c1n[nH]c2ccc([N+](=O)[O-])cc12 489061167 HSCZYMSLVFNSOE-UHFFFAOYSA-N 425.408 4.176 5 20 IIBD O=C(Nc1nnc(CC(F)(F)F)s1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 493939951 SCZPNJFNGLCKKR-UHFFFAOYSA-N 437.403 4.416 5 20 IIBD COc1cc(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)ccc1OCC(F)(F)F 497908103 SRJPTQIPZSMOCH-UHFFFAOYSA-N 435.358 4.023 5 20 IIBD O=[N+]([O-])c1ccc([C@@H]2SCCN2S(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1 497934357 SGOUKNUBXGIIRB-HNNXBMFYSA-N 436.408 4.189 5 20 IIBD CCc1ccc(CN(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C2CC2)cc1 498999908 KZLRBFXZJTXYDH-UHFFFAOYSA-N 437.525 4.242 5 20 IIBD Cc1nn(C)c(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)c1[N+](=O)[O-] 499212824 REEVDWLMJIYZRJ-UHFFFAOYSA-N 439.325 4.234 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Oc3ccnc4ccccc34)cc2)ccc1O 499300646 PGARMMBQGWYCQP-UHFFFAOYSA-N 437.433 4.442 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCc2c(C)cc(Br)cc2C)cc1OC 500060881 OILHRYUSPHISBM-UHFFFAOYSA-N 437.290 4.311 5 20 IIBD CSc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1[N+](=O)[O-] 501127899 GTSPRKUSGUCUHU-UHFFFAOYSA-N 425.432 4.298 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(-c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)n2)c1 504980244 JCNVLGJYCBMXAG-UHFFFAOYSA-N 440.412 4.252 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 505223319 JRVOLCMITLYYOJ-OALUTQOASA-N 449.301 4.221 5 20 IIBD COc1cccc([C@H](C)N2CCN([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)c1 507766286 KXVHYGSWXKPVME-DLBZAZTESA-N 437.500 4.093 5 20 IIBD Cc1noc(COc2ccc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cc2)n1 510600996 TVRDSGCMFWIWRB-UHFFFAOYSA-N 440.459 4.064 5 20 IIBD COc1cc(CN2CCC(CCN(C)C)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 511482217 OQYOQIXVZDELGL-UHFFFAOYSA-N 427.545 4.346 5 20 IIBD CCOC(=O)C1CCC(N(CC)C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1 511929077 CJKQIUAPNUJMKM-UHFFFAOYSA-N 445.560 4.415 5 20 IIBD Cc1ccc([C@@H](C)N(C)C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c(C)c1 519843766 VKQSCYSVNOPHTH-CYBMUJFWSA-N 434.290 4.132 5 20 IIBD COc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2F)C2CCCC2)cc1[N+](=O)[O-] 521767831 MSPOAWKAACGBTM-UHFFFAOYSA-N 426.441 4.015 5 20 IIBD Cc1cc(C)n(-c2ccc(-c3noc(-c4ccc(N5CCCC5)c([N+](=O)[O-])c4)n3)cn2)n1 521910103 HZMWATZODLMZQZ-UHFFFAOYSA-N 431.456 4.110 5 20 IIBD Cc1ccc(Br)cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 523275366 UGNXSQJKGASTMQ-SFHVURJKSA-N 446.301 4.217 5 20 IIBD CC[C@H](Cc1ccc(Cl)cc1)NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 523845695 CTKYKWUUEGZZSA-MRXNPFEDSA-N 431.876 4.074 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H](c1cccc(F)c1)c1cnn(C)c1 523979934 QVZMVSUTHRHDGB-JLTOFOAXSA-N 428.489 4.196 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 524038486 JZHZLVVXWDWYNG-INIZCTEOSA-N 433.472 4.009 5 20 IIBD COc1cc(C(=O)Nc2c(C)cnn2[C@H]2CCCc3ccccc32)cc([N+](=O)[O-])c1OC 525541998 UEJXQWXLSOMZLZ-SFHVURJKSA-N 436.468 4.295 5 20 IIBD CCCc1[nH]nc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1[N+](=O)[O-] 525683606 QIUTWNZNSQRPLQ-UHFFFAOYSA-N 448.458 4.192 5 20 IIBD O=C(Cc1cc2c(ccc3ccccc32)o1)NCCNc1ncnc2ccc([N+](=O)[O-])cc12 535839619 HSNXUFASIUEKMC-UHFFFAOYSA-N 441.447 4.208 5 20 IIBD COc1cc(C)c(Br)cc1S(=O)(=O)Nc1c(C)ccc([N+](=O)[O-])c1C 538011474 QNWPCRJBZOOAGM-UHFFFAOYSA-N 429.292 4.092 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 538870472 HOENSTLHSUBLJT-UHFFFAOYSA-N 447.856 4.007 5 20 IIBD COC(=O)C[C@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1ccc(Cl)c(F)c1 541959323 VGGZIHMIRGFQBC-ZDUSSCGKSA-N 446.765 4.023 5 20 IIBD COc1ccc2oc([C@@H](C)NCCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)c(C)c2c1 543510890 QJLAUSFAYQIDNJ-CQSZACIVSA-N 427.457 4.346 5 20 IIBD Cc1ccc(NCCCNC(=O)N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 544427709 TUBKDKUEZJLCLA-GHTZIAJQSA-N 430.480 4.064 5 20 IIBD CCSCc1ccc(C(=O)N2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)cc1 544686758 HIZCPMYQJPKTPZ-UHFFFAOYSA-N 439.541 4.077 5 20 IIBD COc1ccc(Cc2noc(-c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)n2)cc1F 546235468 MYOQWOVMDFLWBF-UHFFFAOYSA-N 437.431 4.245 5 20 IIBD CC(C)(C)CNC(=O)c1ccc(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)cc1 547267672 PKAZOYWGRPWERL-UHFFFAOYSA-N 433.468 4.493 5 20 IIBD Cn1ccnc1[C@@H](Nc1ccc(NC(=O)c2ccccc2)cn1)c1cccc([N+](=O)[O-])c1 552262398 VBDAKJNVVAFRFL-NRFANRHFSA-N 428.452 4.177 5 20 IIBD O=C(c1ccc(NCc2ccccc2OC2CCCC2)c([N+](=O)[O-])c1)N1CCOCC1 559144874 YJGFUJPHBPVGKC-UHFFFAOYSA-N 425.485 4.001 5 20 IIBD Cc1ccc(NC(=O)N2CCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)CC2)cc1Cl 560295413 YVEPGXHWJJMASN-UHFFFAOYSA-N 441.875 4.028 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)N1CCc2c(O)ncnc2C1 563917253 VEOCCIBAJJQRRL-UHFFFAOYSA-N 442.884 4.094 5 20 IIBD C[C@@H](Nc1ccc(-c2nc(-c3ccc(N(C)C)nc3)no2)cc1[N+](=O)[O-])c1ccccn1 569515978 VDMJYEKYAMHVLS-CQSZACIVSA-N 431.456 4.341 5 20 IIBD C[C@H]1C[C@H](c2ccc(F)cc2)CN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 571482730 RSAVOSVMYQTGKB-AAEUAGOBSA-N 443.294 4.063 5 20 IIBD O=C(N[C@@H](c1ccccc1F)C1CCCC1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 576404424 JYVDTHPLCUHGMD-JOCHJYFZSA-N 439.487 4.273 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 577168506 CAZNOORHTUIOCD-MRXNPFEDSA-N 429.542 4.303 5 20 IIBD CCCS(=O)(=O)c1ccccc1S[C@@H](C)c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 580383573 LJHHZGULMPUPBD-LBPRGKRZSA-N 448.526 4.264 5 20 IIBD Cc1cc(=O)c(C(=O)N(C)Cc2c(Cl)cccc2Cl)nn1-c1ccccc1[N+](=O)[O-] 603524052 KTRULRQJQDXEJN-UHFFFAOYSA-N 447.278 4.028 5 20 IIBD COc1cc(CNC(=O)COc2cccc([N+](=O)[O-])c2C)ccc1OCc1ccccc1 603678265 VIZSFCXDQNAQOI-UHFFFAOYSA-N 436.464 4.186 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccc(F)cc2)C(C)(C)C)cc1OC 603771914 PBXNKJSUQSUCOC-FQEVSTJZSA-N 434.464 4.285 5 20 IIBD CCC(=O)Nc1cccc(CNC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c1 603920136 BHEQLQRJDPFISJ-IRXDYDNUSA-N 438.528 4.356 5 20 IIBD CC(=O)Nc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C(F)(F)F)c1 603973243 PTBIMBZVFGNYIQ-UHFFFAOYSA-N 437.783 4.026 5 20 IIBD Cc1cc(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)n(-c2ccc([N+](=O)[O-])cc2)n1 608926994 VVNBIYBIKPNGGF-UHFFFAOYSA-N 444.366 4.048 5 20 IIBD O=C(c1cnn(-c2cccc(Br)c2)c1)N1CCCc2ccc([N+](=O)[O-])cc21 609859744 VXKRIYJAQADLSO-UHFFFAOYSA-N 427.258 4.136 5 20 IIBD COc1cc(CS(=O)(=O)[C@@H](C)c2ccc(F)c(F)c2)c([N+](=O)[O-])cc1OC(F)F 609925410 RPXUZAGVYSIBNB-VIFPVBQESA-N 437.367 4.159 5 20 IIBD CN1CCC[C@@H](CN(C)[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 610161473 WGKCTDBCQNQVDH-IERDGZPVSA-N 430.936 4.202 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F 610318287 HEPHSESGWMCYQD-UHFFFAOYSA-N 436.390 4.326 5 20 IIBD Cc1ccc2[nH]c3c(c2c1)CN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)CC3 610955359 CIGWTAHSHLMGKF-UHFFFAOYSA-N 439.415 4.150 5 20 IIBD COc1cc(CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C2CC2)ccc1OC(F)F 611607370 BWKGKDKMFRGULV-UHFFFAOYSA-N 446.410 4.419 5 20 IIBD Cc1noc(C)c1N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 618034181 DCNOYAJXDWJCBV-UHFFFAOYSA-N 432.483 4.014 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(C)c(Oc2cc(C)ccn2)c1 619467387 FAQNOFZSITWLJD-UHFFFAOYSA-N 429.454 4.208 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N(C)CCCc1cc(-c2ccccc2)no1 725790703 WSKDPGKCHYJQTO-UHFFFAOYSA-N 440.412 4.014 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 728808548 HHJZMXVFXMSUPD-HOTGVXAUSA-N 432.498 4.074 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 729112192 BTIORUIZWCWKFU-UHFFFAOYSA-N 443.456 4.250 5 20 IIBD CCc1cc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 729185136 KRAOJBFWAZXEGD-INIZCTEOSA-N 441.532 4.307 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)O[C@H](C)c1ccc(C(F)(F)F)cc1 730628415 RUSFCNLZFNFHOI-LLVKDONJSA-N 427.331 4.118 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@H]1C[C@H]1c1cccc2ccccc12 730873505 MFUYLILQKMRNIU-GKCIPKSASA-N 434.448 4.431 5 20 IIBD CC(C)(C)OC(=O)NC[C@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCCCC1 732017899 HYEKOIHINYONNY-INIZCTEOSA-N 425.913 4.452 5 20 IIBD O=C(Nc1cccc(Cl)c1)N1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 732578761 QEOZYLALKZWWKV-UHFFFAOYSA-N 437.283 4.282 5 20 IIBD CCOC(=O)C1=C(C)N(CC2CC2)C(=O)N[C@@H]1c1csc(-c2cccc([N+](=O)[O-])c2)n1 733122051 SHNBKQHBUGKWBN-GOSISDBHSA-N 442.497 4.032 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2)nc1 733370880 OUVLYSFYIQAJBA-UHFFFAOYSA-N 440.843 4.112 5 20 IIBD O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1occc1CN1C(=O)Cc2ccccc21 734895326 CLHFRBBQLMSVHL-UHFFFAOYSA-N 426.812 4.288 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[C@@H](SC)C1 742421696 QOPVAGAKJMJSPG-UKRRQHHQSA-N 437.543 4.100 5 20 IIBD Cc1nnc(S)n1CCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 743500772 SUVGAXPYJGXEOI-UHFFFAOYSA-N 449.945 4.018 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 744285585 JUJKLUKYRUCOTP-LPHOPBHVSA-N 433.505 4.045 5 20 IIBD Cc1ccc(-c2ocnc2C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 745357638 UTZHVNLEBFBQEB-GFCCVEGCSA-N 429.816 4.396 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)N2CCc3sccc3[C@H]2c2ccccc2)c1 745391127 LDYLGUFMJZONAK-JOCHJYFZSA-N 436.489 4.296 5 20 IIBD C[C@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCCC1=CCCCC1 747960701 ADSYWTIWBPTNQX-AWEZNQCLSA-N 429.498 4.270 5 20 IIBD CCc1ccc([C@H](C)NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1 748952472 VPRBVIBMEIXKQF-LSDHHAIUSA-N 443.456 4.105 5 20 IIBD COC(=O)NCc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cc1 749435747 JFBUQYKYGDIPRQ-UHFFFAOYSA-N 442.653 4.119 5 20 IIBD O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 750038097 VCJXPBTZOBZPDI-UHFFFAOYSA-N 441.915 4.292 5 20 IIBD C[C@H](Nc1ccc(C(=O)OCc2ccc(-n3ccnc3)nc2)cc1[N+](=O)[O-])c1ccccn1 750335397 WNBNLJFDXGHZFX-INIZCTEOSA-N 444.451 4.101 5 20 IIBD Cc1ccccc1Cc1noc(COC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n1 750883889 KVNWQEPMFRWUAM-ZDUSSCGKSA-N 431.832 4.041 5 20 IIBD CCOc1c(OC)cc(/C=C2/N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1OC 751037027 VWAIJQVRSRCCCC-VGOFMYFVSA-N 432.816 4.009 5 20 IIBD Cc1sc(NC(=O)COC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c(C)c1C 753432342 MEHBQQLBXWMWFA-UHFFFAOYSA-N 441.303 4.448 5 20 IIBD O=C(NCc1ccc(Br)s1)c1cc(F)cc([N+](=O)[O-])c1Br 754633259 WAVZZSLZNQZDQZ-UHFFFAOYSA-N 438.072 4.250 5 20 IIBD C[C@H](OC(=O)c1ccc(F)c(F)c1F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 757093663 RMGUHGKHIVVECV-ZETCQYMHSA-N 436.264 4.215 5 20 IIBD CCc1ccc([C@H](NC(=O)COC(=O)c2ccc(F)cc2[N+](=O)[O-])c2cccs2)cc1 758112870 BXUGREJDZYTGAZ-NRFANRHFSA-N 442.468 4.420 5 20 IIBD C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 762444747 SUUGHIKLERIOKG-LSDHHAIUSA-N 437.512 4.163 5 20 IIBD COc1ccc([C@@H]2CCCCCN2C(=O)COC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 763407292 ZBIRLKRMSXDQEZ-VGSWGCGISA-N 440.496 4.394 5 20 IIBD C[C@H](C(=O)OCc1noc(Cc2ccc(Br)cc2)n1)c1cccc([N+](=O)[O-])c1 763421398 VJKSTPKWHBVFLW-LBPRGKRZSA-N 446.257 4.178 5 20 IIBD COc1cc(C(=O)N2Cc3ccc(Br)cc3C2)c([N+](=O)[O-])cc1OC(F)F 765208990 STHLSEXCKHBIAJ-UHFFFAOYSA-N 443.200 4.123 5 20 IIBD O=C(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@H](Sc1ccccc1)c1ccccc1 770771195 CPBLSRKDXWHDQI-LJQANCHMSA-N 446.481 4.072 5 20 IIBD CCn1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)nc2ccc(Br)cc21 770902496 IVDKLZHYJOVBDZ-UHFFFAOYSA-N 448.233 4.196 5 20 IIBD Cc1cc(S(=O)(=O)N2CCCN(C(=O)OC(C)(C)C)c3ccccc32)ccc1[N+](=O)[O-] 774733121 PWYRXPVPSHFMCI-UHFFFAOYSA-N 447.513 4.244 5 20 IIBD Cc1ccccc1-c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2I)n[nH]1 775559239 YJPHOMOBPUSZHB-UHFFFAOYSA-N 448.220 4.150 5 20 IIBD O=C(Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccncn1 777696329 HOYLINAZQDGHTH-UHFFFAOYSA-N 433.207 4.163 5 20 IIBD Cc1ccc(Oc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])c(Cl)n1 777786849 DVNXGENYRZZHRY-UHFFFAOYSA-N 425.894 4.309 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 778782807 DRIVAPYUJNAHJJ-WDEREUQCSA-N 441.303 4.150 5 20 IIBD COc1ccc(-c2nc(CC(=O)OCc3ccc([N+](=O)[O-])c(C)c3)cs2)cc1OC 781170431 OTPXWUJGZJVMJR-UHFFFAOYSA-N 428.466 4.330 5 20 IIBD Cc1cc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cnc1N1CCCC[C@@H]1C 781718959 YUEQPHYDUBWCHH-HNNXBMFYSA-N 427.461 4.157 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@@H](N3CCCCC3=O)C2)cc1OC 782042843 VYGGNAMFORGSSD-PKOBYXMFSA-N 433.549 4.005 5 20 IIBD CC1=C(C(=O)N(C)C)[C@@H](c2ccc([N+](=O)[O-])s2)NC(=S)N1c1ccccc1Cl 782247999 KFBDYAFENMCPJG-MRXNPFEDSA-N 436.946 4.108 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 783032768 NBZUIRKESGCPIS-IRXDYDNUSA-N 432.521 4.105 5 20 IIBD CC1=C(C(=O)Nc2cccc(C)c2C)[C@H](c2ccc([N+](=O)[O-])cc2Cl)NC(=S)N1 783937390 DZRDSSBYMOPEEP-SFHVURJKSA-N 430.917 4.297 5 20 IIBD COc1ccc(C(=O)CCC(=O)Oc2cc([N+](=O)[O-])c(Cl)cc2C)c(OC)c1OC 784874376 FOBOZVWLWGTBKH-UHFFFAOYSA-N 437.832 4.151 5 20 IIBD COc1ccc(SCC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cc1 791171956 JNPKFFOGIWMOQZ-UHFFFAOYSA-N 437.315 4.043 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@]3(C)[C@@H](C2)C3(Cl)Cl)CC1 791256025 SPCSNYVLFJAFDF-IEBWSBKVSA-N 426.344 4.487 5 20 IIBD O=C(OCC(=O)c1cnccn1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 792133498 QXZWGIKWVLUMEB-UHFFFAOYSA-N 429.841 4.229 5 20 IIBD Cc1ccc2c(c1)CC[C@@H](C(=O)N(Cc1nnc(-c3cccc([N+](=O)[O-])c3)o1)C(C)C)O2 796532016 RDLXYNVITLBGAN-FQEVSTJZSA-N 436.468 4.084 5 20 IIBD Cc1cc(N2CCC(O)(c3scnc3Br)CC2)c2cc([N+](=O)[O-])ccc2n1 797438289 MKSUDEFRXIQDDN-UHFFFAOYSA-N 449.330 4.158 5 20 IIBD CC(C)c1ncc(CN(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cn1 799740578 TZDKGOBRAHXWRY-UHFFFAOYSA-N 427.686 4.196 5 20 IIBD CN(C[C@@H]1CCCO[C@H]1c1ccccc1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F 809812921 LYKADCDNXLKZRN-LIRRHRJNSA-N 442.896 4.176 5 20 IIBD C[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C[C@H](c2ccsc2)O1 809826008 RVDVKEHUPAKLCL-LKFCYVNXSA-N 437.326 4.114 5 20 IIBD O=Cc1cc(Cl)cc(F)c1OS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 809829598 JLVHDKRHIQAZTD-UHFFFAOYSA-N 428.608 4.274 5 20 IIBD O=C(Nc1cccc(CC(F)(F)F)c1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810399401 VFXKCTZUSAINNA-UHFFFAOYSA-N 446.179 4.039 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 813424572 ZRGTZGPMWAXFGS-LLVKDONJSA-N 432.304 4.279 5 20 IIBD C[C@@H](OC(=O)c1ccccc1C(=O)c1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 900677012 NUGNXONBKVMELU-CQSZACIVSA-N 436.395 4.149 5 20 IIBD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(C)n1-c1nccs1 914613252 MMLAQYBWELDGNT-GFCCVEGCSA-N 448.888 4.296 5 20 IIBD CN(C(=O)c1ccc(-c2ccccc2F)o1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 916991000 NSWSAHFPXQXUKK-UHFFFAOYSA-N 438.820 4.108 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1 917174027 LJHOJVMRMWXAOF-UHFFFAOYSA-N 430.399 4.266 5 20 IIBD COc1ccccc1[C@H](CNC(=S)Nc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C 917582488 QVLGPUDQQZMBBH-KRWDZBQOSA-N 446.529 4.156 5 20 IIBD CCc1ccc([C@H](NC(=O)COC(=O)c2csc([N+](=O)[O-])c2)c2cccs2)cc1 919367882 CNEKSILICCIVOK-IBGZPJMESA-N 430.507 4.343 5 20 IIBD C[C@@H](OC(=O)CCOc1ccc(F)cc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 919381624 LVIXZZPJWKQUKI-SNVBAGLBSA-N 445.230 4.380 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N(C2CC2)[C@@H]2CCc3ccccc32)cc1Br 919728324 OAURWMWBYISNRM-QGZVFWFLSA-N 437.315 4.198 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 920576390 QGRIAXNNLZFYHI-AWEZNQCLSA-N 439.251 4.007 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@H](O)c1ccccc1C(F)(F)F 921077675 CPIHXWYGYBZGAB-NRFANRHFSA-N 440.421 4.023 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)c1ccccc1)C2 1800701368 SFUWSJOBWIOQHQ-FZDIXFNVSA-N 439.487 4.098 5 20 IIBD C[C@@H]1C[C@@]1(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 1801207179 NBVDKNIFIMZYDP-IRMNNIRPSA-N 427.526 4.107 5 20 IIBD CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])[nH]n1 1816814446 BIVIOCJYEFBQKX-MRXNPFEDSA-N 433.896 4.006 5 20 IIBD CCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2F)n[nH]1 1821053335 WTALFGOVWPGMBG-QGZVFWFLSA-N 431.468 4.199 5 20 IIBD Cc1c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3CCC3)[nH]n2)cc(Cl)cc1[N+](=O)[O-] 1821291455 UVOUYWNQPWABHM-KRWDZBQOSA-N 445.907 4.386 5 20 IIBD CCC(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])sc2C1 1828256872 JGAVKGATNCRCOQ-RZXPCSSPSA-N 442.541 4.113 5 20 IIBD COc1ccccc1CNC(=O)CSc1nc2ccccc2c2nc3ccccc3n12 8760758 JDNLLRJCZQQALY-UHFFFAOYSA-N 428.517 4.453 5 20 IIBD Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 11444624 JWXCKFAHSVKYEX-UHFFFAOYSA-N 433.779 4.146 5 20 IIBD CCNc1nc(S[C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nc2ccccc12 16397658 WEFNXMFKIMFBNX-GFCCVEGCSA-N 427.486 4.098 5 20 IIBD C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 17273319 ACMVTMFOGWPIPP-LLVKDONJSA-N 447.517 4.432 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 17727637 BYODIVPXHABYPE-VXGBXAGGSA-N 444.425 4.338 5 20 IIBD CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 18092616 KDPXWJAVZHYBRU-UHFFFAOYSA-N 439.921 4.148 5 20 IIBD CCCCN1C(=O)CC[C@@H](C(=O)OCc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1OC 19178962 FFRQNQDLSXSKSW-NFBKMPQASA-N 440.496 4.427 5 20 IIBD CCCn1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc2ccccc2c1=O 20788962 JIBBEQBNWWHVMR-GFCCVEGCSA-N 446.916 4.487 5 20 IIBD CCOc1ccc(C(=O)Nc2ccc(F)c(-c3nnc4n3CCCCC4)c2)cc1[N+](=O)[O-] 29275629 DSRJGRLUJGSHQL-UHFFFAOYSA-N 439.447 4.370 5 20 IIBD O=C(c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)N1CCc2ccc([N+](=O)[O-])cc21 29888745 LHEJMTZFPWLERZ-UHFFFAOYSA-N 435.440 4.246 5 20 IIBD NC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)cc1 36727684 PMLCEOYTETWYJF-UHFFFAOYSA-N 441.896 4.428 5 20 IIBD CC(C)Cn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccccc1F 39188240 IYMBVSBHFVNSFK-UHFFFAOYSA-N 429.477 4.379 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(OCc2c(Cl)ccc3cccnc23)c([N+](=O)[O-])c1 59121492 FSJQMRSZZVJXHE-UHFFFAOYSA-N 449.916 4.406 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 64935077 BKMMRXJLGKBYNO-UHFFFAOYSA-N 430.526 4.362 5 20 IIBD CCOc1cc(C(=O)Nc2cc(CN3CCSCC3)ccc2C)c([N+](=O)[O-])cc1OC 109848635 GSBUZZBYDSPWGM-UHFFFAOYSA-N 445.541 4.112 5 20 IIBD O=C(NCc1nnc(S)n1C1CC1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 111032971 KLBHYUZJPVTMAY-UHFFFAOYSA-N 445.888 4.186 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 138600255 CBZLZRCXDRVWDG-UHFFFAOYSA-N 446.419 4.200 5 20 IIBD COc1ccc(-n2ccc(CNCc3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)n2)cc1 237451157 WLFUIUIXDBSRHI-UHFFFAOYSA-N 434.452 4.348 5 20 IIBD Cc1ccc(-n2cnnc2SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cc1Cl 261458527 SBSGXNUJIJHCLK-UHFFFAOYSA-N 445.888 4.228 5 20 IIBD Cc1ccnc(-n2c(Sc3ncc(Cl)cc3[N+](=O)[O-])nc3ccccc3c2=O)c1 301750349 UKSCVIIQRMVSSD-UHFFFAOYSA-N 425.857 4.197 5 20 IIBD CCOc1cccc(N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)c1[N+](=O)[O-] 302214633 INMDGEJFJAJSIL-UHFFFAOYSA-N 449.305 4.006 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(c2nc3ccccc3[nH]2)CC1 303402272 RYOVOOYOJIXQGZ-CYBMUJFWSA-N 427.892 4.331 5 20 IIBD CN(CCC(=O)O)C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 428076446 TZNGZRFQHUBBSJ-QINSGFPZSA-N 425.466 4.068 5 20 IIBD COc1ccc(COc2cccc(F)c2)cc1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] 434188061 VLBANXNVNZPOFJ-UHFFFAOYSA-N 428.420 4.420 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)C3)cs1 435797507 DZGUHOBAPKJRIK-UHFFFAOYSA-N 429.523 4.360 5 20 IIBD CCNC(=O)c1ccc(C)c(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1 436077400 NKUBSXVAFFHWKI-UHFFFAOYSA-N 435.430 4.270 5 20 IIBD COc1cc(OC)c(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1Cl 437584601 XIZXMFGHIZFLJH-UHFFFAOYSA-N 435.864 4.341 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1 439997141 HKELIOVVKYHOIG-UYAOXDASSA-N 425.485 4.035 5 20 IIBD CCCN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cccc([N+](=O)[O-])c1 441440238 AKPDSCNAGQOPIQ-UHFFFAOYSA-N 445.541 4.216 5 20 IIBD O=C(Cc1noc(-c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)n1)NCCc1ccccc1 445323557 UPBBVJACQGNBDG-UHFFFAOYSA-N 443.463 4.290 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(Cn3c4ccccc4c(=O)c4ccccc43)n2)c1 445573417 HKMHDZJJUUFUOD-UHFFFAOYSA-N 442.431 4.094 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Sc2ccc(Br)cc2[N+](=O)[O-])c(OC)c1 447346425 DQQNYRUQWLQHMD-JTQLQIEISA-N 441.303 4.494 5 20 IIBD O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)N1CCOc2ccc([N+](=O)[O-])cc2C1 460366679 SIENHUNCYMSBHZ-NRFANRHFSA-N 438.871 4.337 5 20 IIBD CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCc2c(Cl)cccc2C1 460692590 LTWQBEBUPKULPI-UHFFFAOYSA-N 441.919 4.496 5 20 IIBD O=C(NC[C@H]1CCCCN(Cc2ccccc2)C1)c1ccc(Br)cc1[N+](=O)[O-] 461467160 MPPIVQVECRKBOA-QGZVFWFLSA-N 446.345 4.389 5 20 IIBD Cc1cccc(-c2nnc(N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2C[C@H]2CCOC2)n1 461525007 YALBNLGAHSRIHO-LJQANCHMSA-N 436.516 4.008 5 20 IIBD CC[C@@H]1c2ccsc2CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 461582666 UZZPQKCQVMMSQC-DNVCBOLYSA-N 439.541 4.465 5 20 IIBD C[C@@H](NC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl)c1cccc([N+](=O)[O-])c1 465647705 ZHZLOYTWWGFHOC-SNVBAGLBSA-N 432.786 4.101 5 20 IIBD CC[C@H](NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1nc(C(F)(F)F)cs1 466688806 JLLAORVBWNBVPF-AWEZNQCLSA-N 443.451 4.053 5 20 IIBD O=C(C[C@@H]1CCCCCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 467531271 FJUYHLSEUPERKM-QFIPXVFZSA-N 432.480 4.438 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NCC1(C(F)F)CC1 471268688 NQHCUEPNIBOBJA-UHFFFAOYSA-N 426.423 4.152 5 20 IIBD COC(=O)C[C@](C)(NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccncc1 475103317 XPKGTEMFKOKQBR-QHCPKHFHSA-N 439.443 4.489 5 20 IIBD C[C@@H]1CCCN(C(=O)C2CCN(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)C1 475202643 KHFQIAINONRHIR-CYBMUJFWSA-N 442.438 4.116 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H](C)C2CCOCC2)cc1[N+](=O)[O-] 475410223 LMJADASNVOICER-AWEZNQCLSA-N 428.510 4.093 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc1C 477004787 QKRFFGFVSPLZNP-QGZVFWFLSA-N 442.497 4.178 5 20 IIBD Cc1c(C(=O)N[C@@H](CO)c2ccc(Br)cc2C(F)(F)F)cccc1[N+](=O)[O-] 478439086 OXZJRUDMLHUBKV-AWEZNQCLSA-N 447.207 4.148 5 20 IIBD COC(=O)[C@@](C)(NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)c(Cl)c1 479264964 GQFHRDJPTJGLEA-DGIBIBHMSA-N 443.258 4.349 5 20 IIBD CCO[C@@H]1C[C@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C12CCCCC2 479833063 XLPHKXVLWFTSAA-DLBZAZTESA-N 430.423 4.394 5 20 IIBD O=C(Nc1ccccc1NCCCc1ccccc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 480820972 VEUYHMUBCKZSAD-UHFFFAOYSA-N 442.479 4.473 5 20 IIBD COc1cc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc(OC)c1OC 486367828 RETFIASAIHBOAH-UHFFFAOYSA-N 438.436 4.452 5 20 IIBD CC(=O)CCc1ccc(O[C@@H](C)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 486735345 ISDSKSDWVVYZEW-AWEZNQCLSA-N 438.402 4.219 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 487295474 FPFLKRUOHWQTAG-XYJFISCASA-N 431.920 4.042 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC2(CC1)OCCc1ccsc12 487482670 GJMHLYFBXONDLP-CYBMUJFWSA-N 436.917 4.168 5 20 IIBD COCCOc1cc(C)ccc1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 488339458 XCAFKQBTVHBGLR-UHFFFAOYSA-N 427.379 4.269 5 20 IIBD NC(=O)c1ccccc1Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1 489735891 FTUBZBNGNMERDK-UHFFFAOYSA-N 443.362 4.340 5 20 IIBD CCCN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H](C)C(=O)Nc1ccccc1C 490052276 FNZJVETUNRIREU-GOSISDBHSA-N 426.517 4.279 5 20 IIBD COc1cc(OC)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1Br 490943267 NQCBEVPDDRJRSF-UHFFFAOYSA-N 429.654 4.209 5 20 IIBD Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1S(=O)(=O)C1CCCC1 491132303 IIKPLGONXHQHNV-UHFFFAOYSA-N 436.917 4.454 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H](c1ccccc1OC(F)F)C(F)(F)F 493537594 WXOZBGRNHDCSGE-MRXNPFEDSA-N 434.317 4.385 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)NCc1cccc(NC(=O)Nc2cccc(C)c2)c1 494658048 WIMYNFUUVPTEHY-UHFFFAOYSA-N 434.452 4.486 5 20 IIBD O=C(NCc1cccnc1OCC(F)F)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 497475821 XUFCDASPYZLNDQ-UHFFFAOYSA-N 442.422 4.176 5 20 IIBD C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(NC(=O)NC2CC2)cc1 497824539 LTQFGOGFTOOTCU-NSHDSACASA-N 447.289 4.132 5 20 IIBD Cc1cc(CNC(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)n(C)n1 497825552 FLXFVRMOCKNBKQ-UHFFFAOYSA-N 447.854 4.221 5 20 IIBD CC(C)CCOC1CCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 500571035 VWBVWHHYMXDQAL-UHFFFAOYSA-N 431.455 4.469 5 20 IIBD Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCCN1c1ncc(Cl)cc1[N+](=O)[O-] 500874009 ZHYMLFMAHHFNTA-GOSISDBHSA-N 431.855 4.163 5 20 IIBD COc1ccc(CNC(=O)c2c(-c3cccc(Br)c3)noc2C)cc1[N+](=O)[O-] 501722696 YALLZLGZQJAMRJ-UHFFFAOYSA-N 446.257 4.259 5 20 IIBD CC1(C)CCC[C@@]1(O)CNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 503928955 QBMDMEQYPDHHFM-RUZDIDTESA-N 448.523 4.047 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCCc2ccccc2O)cc1[N+](=O)[O-] 507384207 CAMOOCZRYNQHSL-UHFFFAOYSA-N 436.489 4.226 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 507995349 YZMPXKAUYDVGGM-CYBMUJFWSA-N 430.823 4.457 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ccccc1-n1cccn1 510158808 CULJMCJBEARAMM-UHFFFAOYSA-N 436.415 4.208 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN3CCc4c(ncn4-c4ccc(F)cc4)C3)o2)c1 510399788 BEOASXNCDWMZOX-UHFFFAOYSA-N 433.443 4.175 5 20 IIBD Cc1c(Br)cc(C(=O)N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)cc1[N+](=O)[O-] 510498095 XYVHPUWLSCWQGI-MZHQLVBMSA-N 439.331 4.236 5 20 IIBD CN(Cc1ccc(Cl)s1)C(=O)c1ccc([N+](=O)[O-])cc1I 511086220 PTLWDVBIXHXQIQ-UHFFFAOYSA-N 436.658 4.187 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1C[C@]12CCc1cc(Br)ccc12 513008570 HSQRZRYNKJPBMH-FPOVZHCZSA-N 429.314 4.262 5 20 IIBD CO[C@@H](C)c1nc(CN2CCCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cs1 514218085 HRWULUQKHITOAT-ZDUSSCGKSA-N 444.479 4.490 5 20 IIBD COc1cc(C(=O)N(C)C2CCC(F)(F)CC2)c([N+](=O)[O-])cc1OCc1cscn1 514631727 OODHSNJBZWIDPN-UHFFFAOYSA-N 441.456 4.289 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CCC[C@H]2CCc2ccccc2)cc1[N+](=O)[O-] 516131654 VIPMWTRAHNYJIN-SFHVURJKSA-N 437.525 4.112 5 20 IIBD COc1cc([C@H](C)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1OCC(C)C 516344938 PFXOYQTUMRPQGF-ZDUSSCGKSA-N 442.921 4.331 5 20 IIBD COc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 517184053 KRUVXQGAAVXNJY-HNNXBMFYSA-N 435.436 4.212 5 20 IIBD CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)sc(C(C)=O)c1C 517653198 ASJDMJZKFVSPPI-GFCCVEGCSA-N 436.511 4.463 5 20 IIBD Cc1ccc(C(C)C)c(Oc2ccc(CNCCNC(=O)c3cnccn3)cc2[N+](=O)[O-])c1 518279318 NTFRAQDKGLTWRJ-UHFFFAOYSA-N 449.511 4.129 5 20 IIBD CCOC(=O)c1c(C2CC2)csc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 519108828 GEZXMEPUGVYZBM-UHFFFAOYSA-N 426.454 4.148 5 20 IIBD O=C(NCc1ccc(COc2ccccc2)cc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 520012389 KQYOXZGLMWPRPS-UHFFFAOYSA-N 428.448 4.290 5 20 IIBD O=C(N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1(c2ccc(Cl)cc2)CCCCC1 522972910 TWMONFOCQZTRFZ-UHFFFAOYSA-N 428.920 4.194 5 20 IIBD CC(C)[C@H](NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1cccc(C(F)(F)F)c1 523267091 GOYYABRZAXWYMU-KRWDZBQOSA-N 444.431 4.144 5 20 IIBD Cc1cccc(CCNC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 523334079 DFCRRKNBUNUDLV-UHFFFAOYSA-N 435.446 4.497 5 20 IIBD COc1ccc(CC(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)cc1[N+](=O)[O-] 524243530 MVEIPQHCTWNDDF-UHFFFAOYSA-N 442.859 4.041 5 20 IIBD CCOc1ccccc1CN(CCCn1ccnc1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 524655517 XPGWJKQXFOPSCY-UHFFFAOYSA-N 447.495 4.404 5 20 IIBD Cc1cc(C)n(-c2ccc(-c3noc(-c4ccc([N+](=O)[O-])cc4Br)n3)cn2)n1 524832121 IRSRKHVPQIDCKD-UHFFFAOYSA-N 441.245 4.272 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CS(=O)(=O)Cc3ncc(-c4cccs4)o3)co2)cc1 534063228 VUSVWHMREHMNTR-UHFFFAOYSA-N 431.451 4.081 5 20 IIBD COc1ccc(C[C@H](NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c2ccc(OC)cc2)cc1 537040691 NRQGCAJYODYUCR-DEOSSOPVSA-N 449.507 4.148 5 20 IIBD CC(=O)c1cc(F)c(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c(F)c1 537439148 HFJKTARSVNILBZ-UHFFFAOYSA-N 428.395 4.190 5 20 IIBD Cc1ccc(NC(=O)Cc2nc(Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)cs2)cc1 537554738 IAKLOTSGHQUNNZ-UHFFFAOYSA-N 433.493 4.453 5 20 IIBD O=C(N[C@H]1CCCOc2cc(F)ccc21)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 538555686 UZBHHMSCNYAQIU-FQEVSTJZSA-N 429.448 4.201 5 20 IIBD C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCC1(c2ccc(Cl)cc2)CCOCC1 540191520 PUWPBJPUDLBNPJ-INIZCTEOSA-N 431.920 4.303 5 20 IIBD C[C@@H](C(=O)Nc1nc2ccccc2n1CCCn1ccnc1)c1ccc([N+](=O)[O-])cc1F 542551878 YNBLYRNESCMJOQ-OAHLLOKOSA-N 436.447 4.113 5 20 IIBD CN(C(=O)COc1ccc([N+](=O)[O-])c2cccnc12)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 542681972 DDQKAVSPSOHFGE-UTKZUKDTSA-N 439.443 4.040 5 20 IIBD CCn1c(S[C@H](Cc2ccc(Cl)cc2)C(=O)OC)nnc1-c1ccc([N+](=O)[O-])cc1 542764174 DPYFYXDQMREPAL-QGZVFWFLSA-N 446.916 4.403 5 20 IIBD CC[C@@H](C)n1c(SC[C@@H](O)COc2ccccc2[N+](=O)[O-])nnc1-c1ccccc1 543120071 HWKYMWAGZKOHKB-WBVHZDCISA-N 428.514 4.356 5 20 IIBD C[C@H](C(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl)c1ccc([N+](=O)[O-])cc1F 543456336 YNBDUQCSVIQYEQ-JTQLQIEISA-N 449.788 4.490 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1SC 543902602 GDNIUFJTSUMQCL-NSHDSACASA-N 444.435 4.018 5 20 IIBD O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N1CC=C(c2cccc(Br)c2)CC1 545862400 RTNNGDTYAHWYFV-UHFFFAOYSA-N 427.258 4.163 5 20 IIBD COc1cc(Cc2noc(-c3cc([N+](=O)[O-])c[nH]3)n2)cc(Cl)c1OCC(F)(F)F 546383649 MWWYPZBUUWCXCV-UHFFFAOYSA-N 432.742 4.167 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCO[C@@H](c3ccc(F)cc3F)C2)cc1[N+](=O)[O-] 547987049 LLQXYMFOYNLXBF-QGZVFWFLSA-N 441.228 4.158 5 20 IIBD COCCC[C@@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(Cl)cc1 552245049 MOCWQHLPNHSMCD-KRWDZBQOSA-N 442.903 4.374 5 20 IIBD O=C(NC[C@H](NCc1ccccc1)c1ccco1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 552872491 BJHRSOIVUNOYOZ-FQEVSTJZSA-N 434.496 4.049 5 20 IIBD CC[C@@H](CSC)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 552919220 UZKIYLFGHGXLEQ-NSHDSACASA-N 425.557 4.004 5 20 IIBD Cc1nc([C@@H](C)NC(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)n[nH]1 553293451 PNAACOUWGQPUOO-YYTPVVGHSA-N 448.508 4.439 5 20 IIBD CCC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 559875873 DIBPNMDFXNZLTQ-CVEARBPZSA-N 448.545 4.086 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](Cc3ccc(C)cc3)C2)cc1OC 570647487 XKKNXBQNDVACDF-IBGZPJMESA-N 442.512 4.032 5 20 IIBD Cc1cc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])nn1C1CCCCC1 572690579 ROALNGYZSOYVBN-UHFFFAOYSA-N 426.395 4.798 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)NCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)n2)cc1F 579695475 DHJRIIKGFXUENI-LLVKDONJSA-N 433.827 4.035 5 20 IIBD Cc1nc2ccc(-c3nc(Cc4ccc([N+](=O)[O-])cc4Br)no3)cc2n1C 582451933 JURBBQVQYOWYBI-UHFFFAOYSA-N 428.246 4.193 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 589414481 NBNOJDJHXCTQRK-UHFFFAOYSA-N 438.465 4.048 5 20 IIBD O=C(Nc1cccc(F)c1)c1cccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1 603995463 DWRNDZCYNYRPEB-UHFFFAOYSA-N 445.410 4.424 5 20 IIBD COc1ccc(CNC(=O)c2cc(-c3ccc(C)cc3)nc3onc(C)c23)cc1[N+](=O)[O-] 604016520 DRPMROFXOBYNKU-UHFFFAOYSA-N 432.436 4.353 5 20 IIBD COc1ccc(CNC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)cc1[N+](=O)[O-] 604017168 SBLBSUOUGNORRY-UHFFFAOYSA-N 447.900 4.151 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(CN2C[C@H](C)O[C@@H](C)C2)cs1 604455229 PPRYYSNOQFOVEN-HOTGVXAUSA-N 447.561 4.103 5 20 IIBD Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C 608804040 JTNNOBZXKROQMU-UHFFFAOYSA-N 436.472 4.389 5 20 IIBD CNC(=O)c1cnc(/C=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)s1 608845948 KLFQHWSPOJSVQJ-UXBLZVDNSA-N 425.466 4.169 5 20 IIBD COc1ccc(CC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 609009702 JHHQPBPUNVUCLA-UHFFFAOYSA-N 440.477 4.212 5 20 IIBD CCOC(=O)c1ccc(N(CC2CC2)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1 609101395 XGFDPWLRDAAUIR-UHFFFAOYSA-N 434.452 4.014 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(-c3ccc(Oc4ccc(F)cc4)nc3)no2)ccc1-n1cncn1 609475491 NORIPBGOAVRHGT-UHFFFAOYSA-N 445.370 4.219 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Oc3ccc(F)cc3)nc2)no1 609475501 PIUDCMSIYBFMAF-ZDUSSCGKSA-N 449.398 4.462 5 20 IIBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1csc(Cc2ccccc2F)n1 609783669 VWXWCDDBVRIEFZ-UHFFFAOYSA-N 429.429 4.195 5 20 IIBD O=C(CCOc1ccc(Cl)cc1Br)N1CCc2c1cccc2[N+](=O)[O-] 609974306 ZVSJSCOWSLIMFW-UHFFFAOYSA-N 425.666 4.369 5 20 IIBD CC(C)(C)c1ccc(-c2cc(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)on2)cc1 610139653 WLNYSBFUKAXHPX-UHFFFAOYSA-N 432.440 4.380 5 20 IIBD COc1ccc2c(c1)OCC[C@@H]2NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 610234084 CUNUMCXQKNLRBN-QRWLVFNGSA-N 448.479 4.425 5 20 IIBD O=C(CN1CCCCCCC1)Nc1ccc(NC(=O)NCc2cccc([N+](=O)[O-])c2)cc1 727593490 UMPAHAPMCNXIJQ-UHFFFAOYSA-N 439.516 4.121 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)OCc3nccn3CC(F)(F)F)cc2[N+](=O)[O-])C1 727769369 FBQVJVVFADBBGE-ZIAGYGMSSA-N 440.422 4.193 5 20 IIBD C[C@@H](OC(=O)c1cnc(C2CC2)s1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 729772968 XMARJUDYWCNSEZ-SNVBAGLBSA-N 444.494 4.236 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)c1c(Cl)cccc1[N+](=O)[O-] 730642312 BFECTAFCFNQJMC-JTQLQIEISA-N 427.240 4.403 5 20 IIBD O=C(NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 730690991 CVUSEYODXOCCHQ-WDEREUQCSA-N 449.699 4.164 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OCc2c(C)nn(C)c2Cl)cc1 731710362 UFBYLFGYHQUYMV-UHFFFAOYSA-N 431.832 4.448 5 20 IIBD C[C@H](Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)C(=O)Nc1cccc([N+](=O)[O-])c1 732229347 XRPJHCRSISNEGK-HNNXBMFYSA-N 440.500 4.327 5 20 IIBD CC(C)(C)c1ccc(C(=O)OC2CCN(C(=O)c3ccccc3F)CC2)cc1[N+](=O)[O-] 732606191 SNAOVBOCNXASLZ-UHFFFAOYSA-N 428.460 4.493 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1COC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 733449735 LEJTZAUSNIOGQL-GFCCVEGCSA-N 448.394 4.092 5 20 IIBD CC1CCN(c2ccc(NC(=O)CCc3nc(-c4cccc([N+](=O)[O-])c4)no3)cc2)CC1 733739886 FCZHTPNWWWXBOF-UHFFFAOYSA-N 435.484 4.452 5 20 IIBD Cn1cc(/C=C/C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)cn1 735456966 AVPMSFHSLBEIDZ-XVNBXDOJSA-N 430.823 4.243 5 20 IIBD CC(C)[C@H](OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(=O)N[C@H]1CCOc2ccccc21 736865416 AMNOUAWZLVRVTM-HKUYNNGSSA-N 432.860 4.070 5 20 IIBD CC(=O)c1cccc(OCCCC(=O)OCc2ccc([N+](=O)[O-])cc2Br)c1 739579848 MDZBKPYAWVFHTH-UHFFFAOYSA-N 436.258 4.462 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NC[C@@](C)(O)c3cccs3)cc2[N+](=O)[O-])n1 740165185 XZACRHMLNLYVAP-GOSISDBHSA-N 435.552 4.210 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1 741932671 YVUWDJSACWXEAK-UHFFFAOYSA-N 438.867 4.369 5 20 IIBD Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NCCc1ccccc1[N+](=O)[O-] 742007624 NYBNSTAIRBRXPR-UHFFFAOYSA-N 433.295 4.427 5 20 IIBD COc1c([N+](=O)[O-])cc(NC[C@H](C)Oc2cccc(C)c2)c([N+](=O)[O-])c1Br 742418555 VPVRZINCKSGWCK-NSHDSACASA-N 440.250 4.462 5 20 IIBD CN(C(=O)c1ccccc1C(=O)OCCOc1ccc([N+](=O)[O-])cc1)C1CCCCC1 742856421 YBNWTQMZTZCXLM-UHFFFAOYSA-N 426.469 4.235 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)cc([N+](=O)[O-])c1 742884876 FUOOAHAEDWCQAK-ZDUSSCGKSA-N 443.456 4.219 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc1 743226046 XOJBZSCEAQEXGF-OAHLLOKOSA-N 443.504 4.414 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3ccc(C)c(NC(C)=O)c3)CC2)ccc1[N+](=O)[O-] 744204901 SOGWQDDCZTXYGP-UHFFFAOYSA-N 441.484 4.086 5 20 IIBD O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1cc(Oc2ccccc2)ccn1 745950059 GNIZYYARRUMQSY-UHFFFAOYSA-N 434.452 4.251 5 20 IIBD O=C(Cc1csc(NC(=O)c2ccccc2)n1)OCc1cc(Cl)ccc1[N+](=O)[O-] 746066929 KDYVVOJWXNAGMN-UHFFFAOYSA-N 431.857 4.243 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cccc(C(F)(F)F)c2)c(Br)c1 746605143 OYIGYZNFJGIDKI-UHFFFAOYSA-N 426.166 4.144 5 20 IIBD C[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 747404697 XHRNVMVCFSMJPF-DLBZAZTESA-N 446.548 4.304 5 20 IIBD O=C(c1cnn(-c2ccccc2)c1)c1cc(F)ccc1OC[C@@H](O)c1cccc([N+](=O)[O-])c1 749668938 BYBZGDBNBBIWFX-JOCHJYFZSA-N 447.422 4.263 5 20 IIBD Cc1cc(OCC(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)ccc1C(C)C 750434278 JOWIGGGVRXIEOA-UHFFFAOYSA-N 427.501 4.260 5 20 IIBD CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 750840565 SEPHAMQNCAYNAM-GOSISDBHSA-N 444.326 4.027 5 20 IIBD CN(C)c1nc2cc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3Cl)ccc2o1 750915461 XKNFIQIRHOZVIS-UHFFFAOYSA-N 439.653 4.470 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H](O)c1ccccc1C(F)(F)F 752560059 LXDNVPQJUDTVER-AWEZNQCLSA-N 434.823 4.209 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 752741729 SMDQRDVTRIRLIA-ULQDDVLXSA-N 432.521 4.369 5 20 IIBD Cc1cc(F)cc(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)c1[N+](=O)[O-] 753450131 SNSQSDSAGCHUIW-ZDUSSCGKSA-N 436.281 4.061 5 20 IIBD COc1cc(N)c([N+](=O)[O-])cc1C(=O)O[C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 753455060 SWOAZRWGQYBAPZ-OAQYLSRUSA-N 435.436 4.031 5 20 IIBD COc1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1-c1ccccn1 755004959 PDWPDGDYLOIOSJ-UHFFFAOYSA-N 441.827 4.114 5 20 IIBD CCc1ccc(-c2noc([C@H](C)NC(=O)c3cccc([N+](=O)[O-])c3Br)n2)cc1 758681399 XORMPLZINQRQIL-NSHDSACASA-N 445.273 4.461 5 20 IIBD Cc1ccc(C(=O)N(C)c2ccc(OS(=O)(=O)Cc3ccccc3[N+](=O)[O-])cc2)cc1 758974329 PPAIQFRIYSPVRN-UHFFFAOYSA-N 440.477 4.089 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl 760157542 AEXIHFXWCFUUMQ-QGZVFWFLSA-N 449.939 4.464 5 20 IIBD COc1cc(CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C2CC2)ccc1O 761967481 NFLLKXIWSWFKCO-UHFFFAOYSA-N 439.237 4.015 5 20 IIBD COc1ccc2cc(CN(C)C(=O)COC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)ccc2c1 762907111 YOBDHSCKMDAZEB-UHFFFAOYSA-N 447.447 4.053 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 765588546 RGUNQDRMLXJTPS-QRQLOZEOSA-N 433.549 4.315 5 20 IIBD COc1cc(COC(=O)c2sc(NC(=O)OC(C)(C)C)nc2C)c([N+](=O)[O-])cc1F 766228835 PHWGIGUDFZXWPZ-UHFFFAOYSA-N 441.437 4.211 5 20 IIBD O=C(COC(=O)CSc1nccc2ccccc12)Nc1ccc(Cl)c([N+](=O)[O-])c1 767418992 MFXWQYDHTOKRQQ-UHFFFAOYSA-N 431.857 4.070 5 20 IIBD CCOC(=O)Nc1ccc2c(CN(Cc3cccc([N+](=O)[O-])c3)C3CC3)cc(=O)oc2c1 768565104 BOGXIGBTPSIBHE-UHFFFAOYSA-N 437.452 4.434 5 20 IIBD CN([C@H]1CCSc2ccc(Br)cc21)S(=O)(=O)c1csc([N+](=O)[O-])c1 768832124 CSAPWIXFRQRGRQ-LBPRGKRZSA-N 449.373 4.276 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)c1[N+](=O)[O-] 768921307 VZJLOVKYLVLXKX-MRXNPFEDSA-N 442.394 4.037 5 20 IIBD Cc1cc(C)c(NC(=O)COC(=O)c2sc(Br)cc2[N+](=O)[O-])c(Cl)c1 773597713 KORVXNFHZAUJPM-UHFFFAOYSA-N 447.694 4.485 5 20 IIBD O=C(COC(=O)c1sc(Br)cc1[N+](=O)[O-])c1cccc(OC(F)F)c1 773600488 VBSMTKHEJMMKSS-UHFFFAOYSA-N 436.186 4.060 5 20 IIBD O=C(Cc1ccc(NC(=O)C2CC2)cc1)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776139894 SMZUCPRPDNYPCJ-QHCPKHFHSA-N 431.448 4.214 5 20 IIBD COc1cccc([C@@H]2[C@H](C(=O)OCc3ccc(Cl)c([N+](=O)[O-])c3)CC(=O)N2C2CC2)c1 776324109 IDFJXGKPBIXZFG-DYESRHJHSA-N 444.871 4.052 5 20 IIBD O=C(Cc1ccc(F)cc1Br)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 777119659 KRFHXLWRVANPDB-UHFFFAOYSA-N 435.205 4.437 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 777963146 HOHLVLQNCYPEGQ-AEFFLSMTSA-N 429.521 4.041 5 20 IIBD O=[N+]([O-])c1cc(-c2ccccc2)ccc1OS(=O)(=O)c1cnc(-c2ccccc2)nc1 780727496 YMRCGTUUQBALOQ-UHFFFAOYSA-N 433.445 4.487 5 20 IIBD CCN(C(=O)COC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccccc1 781256009 IWJFJQLJIDOATA-UHFFFAOYSA-N 436.414 4.169 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@@H]21 784506550 SCVVBDORSDPWSV-FFZOFVMBSA-N 442.516 4.375 5 20 IIBD C[C@@H](OCCCNC(=O)COc1cc([N+](=O)[O-])ccc1Br)c1ccccc1 786744214 NDSDZUFCFMTCHJ-CQSZACIVSA-N 437.290 4.020 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])OCc1cc(=O)oc2cc3c(cc12)CCC3 790744312 BYNIVAZDVDUXND-UHFFFAOYSA-N 431.803 4.268 5 20 IIBD C[C@H](OC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])c1nc(C2CC2)cs1 797255963 WEKSYWSFMHOVBE-JTQLQIEISA-N 440.319 4.432 5 20 IIBD CCN(Cc1c(F)cccc1F)C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O 798167645 QBJLKEDXFYJDHO-UHFFFAOYSA-N 436.802 4.080 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)[C@@H](C)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 798786713 KXRNJJIPEOXSAI-LBPRGKRZSA-N 440.374 4.298 5 20 IIBD CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 799374632 IDFKILQPPQYDDQ-ZDUSSCGKSA-N 426.901 4.407 5 20 IIBD CC[C@](C)(NS(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1C)c1nc(C)cs1 799775148 OTXFHMHACGEPLN-HNNXBMFYSA-N 448.364 4.034 5 20 IIBD Cc1nc2cccc(C(=O)N3CCCC[C@H]3CCOC(=O)c3cccc([N+](=O)[O-])c3)c2[nH]1 801826034 HDNAHWNZMVSYGQ-KRWDZBQOSA-N 436.468 4.021 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](CSc2ccccc2)C1 802411441 OJRSPKJNANHZEY-KRWDZBQOSA-N 439.541 4.118 5 20 IIBD Cc1oc(C(C)C)nc1C(=O)O[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 803914499 IEGPITKJDGQLNU-LBPRGKRZSA-N 444.469 4.322 5 20 IIBD Cc1ccc([C@@H](O)[C@@H](C)NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cc1 804470704 CDJHYKXVELFQGB-HWPZZCPQSA-N 427.682 4.171 5 20 IIBD COC(=O)c1cc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c(C)cc1Br 809099588 ZSDOCJNXHHJYOD-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD O=C(COC(=O)Cc1cccc(Cl)c1F)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 811334758 DGDAVXPIGJGKRS-UHFFFAOYSA-N 434.729 4.131 5 20 IIBD CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 813472551 BZBGPODWVYXZGL-RBUKOAKNSA-N 431.533 4.229 5 20 IIBD C[C@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 813619396 VWTWPFSQZHOUKU-JKSUJKDBSA-N 434.537 4.165 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] 813670874 YJKSTPBEVAQDFP-RYQLBKOJSA-N 432.521 4.005 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1ccc(Cl)nn1 815439219 HJMAZJGBJYYLKB-KRWDZBQOSA-N 447.234 4.228 5 20 IIBD C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(N2CCCOC2=O)cc1 817277965 GPDRGNZOMMPVOR-LBPRGKRZSA-N 437.374 4.451 5 20 IIBD Cc1c(C(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 875036913 PQYRDEVTNSSAPD-UHFFFAOYSA-N 434.380 4.389 5 20 IIBD C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 914507278 MWUGIPCRVILCEN-AWEZNQCLSA-N 437.418 4.283 5 20 IIBD COc1ccc(NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1NC(=O)OC(C)(C)C 915214897 RZYCNUKSJGISRZ-UHFFFAOYSA-N 430.461 4.309 5 20 IIBD CCOc1ccc(CCC2CCN(C(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)cc1 915289468 AWFOUSHHOZGFIU-UHFFFAOYSA-N 436.512 4.215 5 20 IIBD C[C@H](Oc1cccc(Cl)c1Cl)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 915498717 KWEWPFKKVQWUJZ-JTQLQIEISA-N 428.224 4.279 5 20 IIBD CC(C)(C)c1ccc(OCc2nnc(SCc3cc(F)ccc3[N+](=O)[O-])n2N)cc1 915791524 WRKQRUIKMUINIX-UHFFFAOYSA-N 431.493 4.208 5 20 IIBD CC(C)c1ccc(-c2noc(COC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)n2)cc1 917905843 NDJGHALQFZFNRG-UHFFFAOYSA-N 433.424 4.311 5 20 IIBD CC[C@H](C)c1ccc(NC(=O)COC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 920552201 SWLCHCLLDODMHT-HNNXBMFYSA-N 436.468 4.304 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ccc(-n2ccnc2)cc1 921149764 ZHIVTIYLMPNLBP-UHFFFAOYSA-N 436.415 4.208 5 20 IIBD CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1N 1116947601 ACKZCOLJIQXIDL-AUUYWEPGSA-N 448.317 4.179 5 20 IIBD C[C@@H](OC(=O)CCOc1cc(Cl)ccc1Cl)C(=O)Nc1ccccc1[N+](=O)[O-] 1317976808 KSQRNVIMIJKPTO-LLVKDONJSA-N 427.240 4.241 5 20 IIBD CS(=O)(=O)Nc1ccc(CNCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1 1318346372 IBPJMKGQUMLUAZ-UHFFFAOYSA-N 435.889 4.170 5 20 IIBD CC(C)(C)OC(=O)Nc1cc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])ccc1F 1323490521 AQZXUCZTGFWTMP-UHFFFAOYSA-N 439.465 4.065 5 20 IIBD O=C(NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 1330440819 NLTYDSMMJMDNMB-FRIKZZABSA-N 445.523 4.096 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1)c1ccnc(Cl)c1 1787380700 VPBQBYDHBHMNQC-UHFFFAOYSA-N 440.843 4.298 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(F)cc([N+](=O)[O-])c4)CCC3)cc2)nc1 1787480955 WBHFYBOIDZPLNI-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD Cc1scc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C3)c1C 1795334386 MPHPLXPGMRPLFP-AZQHWYKZSA-N 439.537 4.238 5 20 IIBD CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc([N+](=O)[O-])o3)n[nH]2)CCCCC1 1814312914 TXAQCMOHNQROEP-HNNXBMFYSA-N 429.477 4.187 5 20 IIBD O=C(COC(=O)COc1ccc2oc3ccccc3c2c1)Nc1ccc(F)c([N+](=O)[O-])c1 9785770 WWDGRHONAYNZTQ-UHFFFAOYSA-N 438.367 4.194 5 20 IIBD C[C@@H](OC(=O)c1ccc2ccccc2n1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 10664471 WISZZRQQMYYIKT-LLVKDONJSA-N 433.342 4.346 5 20 IIBD COc1ccc(C(=O)O[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 11342215 WZDWRYNCLARLBA-MNOVXSKESA-N 441.267 4.333 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c(C)c1 15354408 WYCBIWZVNLLYNF-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD Cc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 15683328 QKZLQPNIRSJKIR-AWEZNQCLSA-N 431.876 4.341 5 20 IIBD COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 26342748 JQLLMHBZIQWYAI-CQSZACIVSA-N 442.468 4.171 5 20 IIBD O=C(COC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)Nc1cccnc1Cl 28612794 KIFPPCAKCIYYLM-UHFFFAOYSA-N 440.843 4.051 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 29255959 GWUXBAYHLBKJKJ-UHFFFAOYSA-N 425.485 4.420 5 20 IIBD O=[N+]([O-])c1sccc1N1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 63257474 CDIXBXXVCZHWOI-UHFFFAOYSA-N 439.419 4.047 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCN(c2cccc(Cl)c2)CC1 64864906 QYLIHMHLJQRPDJ-UHFFFAOYSA-N 428.901 4.334 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CCCCC[C@@H]2c2ccncc2)cc1[N+](=O)[O-] 107809280 DFZBPBDOJHYLCL-QGZVFWFLSA-N 438.513 4.027 5 20 IIBD CCOc1cc(C(=O)Nc2cccc(NC(=O)OCC(C)C)c2)c([N+](=O)[O-])cc1OC 108991358 XIMAGXQFVFQLJO-UHFFFAOYSA-N 431.445 4.459 5 20 IIBD COc1ccc(-c2nnc(Sc3cc(C)nc(-c4ccc([N+](=O)[O-])cc4)n3)n2C)cc1 301125696 SXGIFISSIXPJDQ-UHFFFAOYSA-N 434.481 4.316 5 20 IIBD Cc1c(CN2CCSCC2)cccc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 303022377 MBJBTSFRTXQPNJ-UHFFFAOYSA-N 426.542 4.279 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](CCc1ccccc1)c1ccccc1 303130357 IEKZCVUORUYZRD-WZONZLPQSA-N 431.492 4.203 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])NC[C@@H](c1ccccc1)N1CCc2sccc2C1 410160683 YWUBOBFIHZQXTI-NRFANRHFSA-N 436.537 4.255 5 20 IIBD CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N(C)Cc1cccc2[nH]ccc12 427780075 MLCJTXLCUYTKBM-FQEVSTJZSA-N 442.903 4.143 5 20 IIBD CC1(C)[C@H](O)C[C@H]1NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 428327618 UNNBEHOHTUYDKX-ZQLNMLEESA-N 437.521 4.411 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N(Cc1cccc(F)c1)C[C@@H]1CCCO1 429803719 QVTFGFHDQHELFR-INIZCTEOSA-N 437.265 4.318 5 20 IIBD C[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])c2ccccc2N(Cc2ccccc2)C1=O 430829737 HKECQDLHYGVJHH-GOSISDBHSA-N 445.475 4.190 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-n3ncc(C(=O)O)c3C(F)(F)F)cc2)c1 431649707 XKUCQVCKMOVUDU-UHFFFAOYSA-N 434.330 4.058 5 20 IIBD CCCc1c(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cnn1-c1ccc(C)cc1 432578329 ZGWQCBSFANSCKB-UHFFFAOYSA-N 430.468 4.479 5 20 IIBD CCC[C@@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)c1nnc2ccccn12 435330851 WUADZTNMODDSIG-CYBMUJFWSA-N 447.293 4.371 5 20 IIBD C[C@@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 436157992 XXIDJIGJWFSHFV-RBSFLKMASA-N 427.495 4.056 5 20 IIBD CC[C@@H]1Oc2cc([C@H](C)NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)ccc2NC1=O 437017998 LFPHLRMCLVRFQZ-QFYYESIMSA-N 437.374 4.214 5 20 IIBD CCc1nnc(O)c(CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])c1CC 442622870 BMDHXVBCMIVZQC-UHFFFAOYSA-N 438.509 4.296 5 20 IIBD COCCO[C@@H]1CCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 444315067 JYQCZEOANKMJIO-OAHLLOKOSA-N 436.917 4.277 5 20 IIBD O=C(Cc1noc(-c2cc(Cl)cc([N+](=O)[O-])c2)n1)Nc1ccccc1C(F)(F)F 445416797 HFKIFWWDBNNANL-UHFFFAOYSA-N 426.738 4.498 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 446012903 RBKRFUKQVYJZTD-MJGOQNOKSA-N 437.265 4.075 5 20 IIBD C[C@H]1CCCN(S(=O)(=O)c2ccc(CN[C@@H]3CCCc4ccc([N+](=O)[O-])cc43)cc2)C1 447537063 SKMDBAZJGNAIMC-GAJHUEQPSA-N 443.569 4.183 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(C[S@](=O)Cc3nnc(-c4ccccc4)s3)co2)cc1 466996111 LBRUPYHYTOKGED-LJAQVGFWSA-N 426.479 4.217 5 20 IIBD CC(=O)NC[C@@H]1CCCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 467427008 DBMSAHCVZWQFGB-HNNXBMFYSA-N 447.944 4.388 5 20 IIBD O=C(C[C@@H]1CCCCCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 467531606 GXGUJGOCMBUPJJ-IBGZPJMESA-N 432.480 4.438 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 467854178 VDVZFINDOCWHEE-UHFFFAOYSA-N 436.173 4.175 5 20 IIBD Cc1csc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2O)c1I 469813051 ZNHNTVTXQKZDPM-UHFFFAOYSA-N 438.630 4.181 5 20 IIBD CCOc1cc(NC(=O)N2C[C@H](c3ccsc3)O[C@H](C)C2)c([N+](=O)[O-])cc1OCC 470793344 PTWFXALJJKCKFM-BFUOFWGJSA-N 435.502 4.448 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] 480193463 KUPIXUPGOMUSDY-KRWDZBQOSA-N 445.541 4.335 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2F)nnc1-c1ccc([N+](=O)[O-])cc1 481347964 WHNFJLIMFCDTIC-ZDUSSCGKSA-N 429.477 4.440 5 20 IIBD CC(C)n1c([C@@H]2CCCN2S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)nc2ccccc21 481444947 HSUDHIVEWFWQEQ-FQEVSTJZSA-N 428.514 4.192 5 20 IIBD O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)N1CCc2c1cccc2[N+](=O)[O-] 482099300 UZHKPIIJLPVPOC-UHFFFAOYSA-N 447.476 4.117 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H](c1ccccc1)c1ccccn1 484715798 QJVIBRPRESSYEJ-FQEVSTJZSA-N 426.270 4.201 5 20 IIBD O=[N+]([O-])c1cnc(N2CC[C@@]3(CCCN(Cc4ccccc4)C3)C2)c(Br)c1 485128672 FSPOSPPINBTADA-HXUWFJFHSA-N 431.334 4.245 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Sc2ccc(Br)cc2[N+](=O)[O-])cc1OC 485273368 JLVUMNZAWGLRKN-JTQLQIEISA-N 441.303 4.494 5 20 IIBD CCOC(=O)c1csc([C@@H]2CCCN2C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 486734661 KCRPUWUTSLPSCU-ZDUSSCGKSA-N 443.403 4.224 5 20 IIBD COc1ccc(CNc2ccc3c(c2)N(C(N)=O)CC3)cc1OCc1ccc([N+](=O)[O-])cc1 487170310 HLUMPAHEDQMIGF-UHFFFAOYSA-N 448.479 4.236 5 20 IIBD CC(C)S(=O)(=O)Cc1cccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 487542417 NOURXAIIMCXRKT-UHFFFAOYSA-N 445.522 4.294 5 20 IIBD C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] 488480635 FAUMOYHHSREVHK-XCLFUZPHSA-N 449.429 4.472 5 20 IIBD Cc1cc(C)c(CS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c(OCc2ccccc2)n1 488821117 AFRZMFFRTXRFNM-UHFFFAOYSA-N 426.494 4.301 5 20 IIBD CCn1c(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])nc2ccc(F)cc21 490997690 IBZDREUDLJXTRH-UHFFFAOYSA-N 426.326 4.297 5 20 IIBD COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)CC3 493263111 WHDMOZQEGLYAMC-CQSZACIVSA-N 436.468 4.000 5 20 IIBD COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1OCc1cccnc1 497924718 QZHKAOLHVVESNV-UHFFFAOYSA-N 430.420 4.378 5 20 IIBD Cc1ccc(C)n1-c1nc(CC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cs1 498159514 OXKBCMYTVLCERN-IBGZPJMESA-N 428.539 4.276 5 20 IIBD O=c1c([N+](=O)[O-])cc(Cl)cn1Cc1csc(-c2ccc(Br)cc2)n1 502104012 ZEUUZUISPXTYRO-UHFFFAOYSA-N 426.679 4.344 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 503223919 DHEIJPCTVCTZCG-QGZVFWFLSA-N 446.301 4.217 5 20 IIBD O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 505445878 MQQZCQRULKDCMI-MRXNPFEDSA-N 426.301 4.092 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN([C@H](C)c2ccc(F)cc2F)CC1 505507490 RYWMSYLGWQBEBO-CABCVRRESA-N 435.496 4.259 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Oc2ccncc2)c(Cl)c1 505773794 RQASHODVCDTCJV-UHFFFAOYSA-N 440.843 4.194 5 20 IIBD COc1ccc(CNC(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)cc1[N+](=O)[O-] 506649474 BAWMYPSOMASHGQ-UHFFFAOYSA-N 449.467 4.247 5 20 IIBD COC1(CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCC(c2ccccc2)CC1 509689967 AKSGCGGLTNLMAX-UHFFFAOYSA-N 445.903 4.046 5 20 IIBD Cc1c(Br)cc(C(=O)NCc2nccn2CCc2ccccc2)cc1[N+](=O)[O-] 510457153 CIJUANGGVYYQOH-UHFFFAOYSA-N 443.301 4.035 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1 511255996 CEBCXRWWZYZKBM-CTNGQTDRSA-N 425.529 4.089 5 20 IIBD CC(C)CCSc1ccc(C(=O)Nc2ccc3c(c2)CCN3C(N)=O)cc1[N+](=O)[O-] 512201492 GUEQPUZGZDANRD-UHFFFAOYSA-N 428.514 4.427 5 20 IIBD CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1)C(=O)C2 512351548 HCIGTJHDEMCELN-FDDCHVKYSA-N 442.537 4.327 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NC[C@H](CO)c1ccccc1Cl 514723100 JVKWJMABXKXPSO-SECBINFHSA-N 425.741 4.485 5 20 IIBD C[C@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])c1cccc(OCc2ccccn2)c1 515512069 GHNPKGHUFJLANK-KRWDZBQOSA-N 435.484 4.041 5 20 IIBD CC(C)NC(=O)c1ccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1 515691915 JDDZQKVODYLIMB-CALCHBBNSA-N 438.528 4.468 5 20 IIBD Cc1cccnc1[C@H](NCc1cc(I)cc([N+](=O)[O-])c1)C(C)C 515714551 VZLQPNAFQLZOLV-MRXNPFEDSA-N 425.270 4.390 5 20 IIBD O=C(NC[C@@]1(CO)C[C@@H]1c1ccccc1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 516123645 HGMKBELFEYZRQC-RCZVLFRGSA-N 431.492 4.103 5 20 IIBD Cc1ccc(Cc2noc(-c3ccc([N+](=O)[O-])cc3I)n2)s1 517781902 MPTZNHJLZDERCN-UHFFFAOYSA-N 427.223 4.210 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1OC 520000108 YJVDGZZXPFHFRN-CYBMUJFWSA-N 442.447 4.126 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2NC(=O)c2cccs2)c1C 522596515 HPJNDKRTWADOGM-UHFFFAOYSA-N 431.495 4.326 5 20 IIBD O=C(CSCc1cccnc1)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 522817152 RODZKWHCKQXXLL-UHFFFAOYSA-N 435.465 4.307 5 20 IIBD NC(=O)N[C@@H](CC(=O)N1CCc2c1cccc2[N+](=O)[O-])c1cccc(Oc2ccccc2)c1 523132397 XSKAKONVYGYSLO-FQEVSTJZSA-N 446.463 4.076 5 20 IIBD CCCNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1Cl 523509135 KKTVDCYGZXZCCW-UHFFFAOYSA-N 440.681 4.403 5 20 IIBD Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C2)cc1 524069635 JEQYRJOFCPXQNE-OAHLLOKOSA-N 430.892 4.231 5 20 IIBD Nc1nc(Sc2nnc(-c3ccccc3Cl)n2-c2ccccc2F)ncc1[N+](=O)[O-] 524411253 VRVUQSUYBMGYRO-UHFFFAOYSA-N 443.851 4.158 5 20 IIBD COc1ccc(-c2ccc(CN[C@@H]3CCN(C(=O)CCc4ccccc4)C3)o2)c([N+](=O)[O-])c1 531791993 SIXKULCEGHTEDZ-LJQANCHMSA-N 449.507 4.187 5 20 IIBD COc1ccc(CC(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cc1[N+](=O)[O-] 532504623 MUYGDXRLXAGFND-LBPRGKRZSA-N 429.420 4.027 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 536271138 XMGNSOJLYKSNCL-HNNXBMFYSA-N 449.442 4.214 5 20 IIBD Cc1ccc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)cc1S(=O)(=O)NC(C)(C)C 538760082 QYIMKLWMYWJAHL-UHFFFAOYSA-N 433.530 4.158 5 20 IIBD O=C(CN[C@@H](C[C@@H]1CCOC1)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Br 540434422 LFZMHMZZTOWYAP-LIRRHRJNSA-N 448.317 4.053 5 20 IIBD Cc1cc(N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c2cccc([N+](=O)[O-])c2n1 540650334 UZZQYGZMDANBLC-UHFFFAOYSA-N 434.452 4.035 5 20 IIBD COc1ccc(NC(=O)C(=O)NCC2(c3ccc(Cl)cc3)CCCCC2)cc1[N+](=O)[O-] 542104967 BDIDFXQNIVGRCY-UHFFFAOYSA-N 445.903 4.214 5 20 IIBD CCOC(=O)COc1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 542309576 APKBWNXKCKAQKQ-UHFFFAOYSA-N 441.484 4.025 5 20 IIBD COC(=O)C[C@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccc(C(F)(F)F)cc1 543459888 GKKLDFYAWDKKCU-GTNSWQLSSA-N 442.365 4.277 5 20 IIBD COc1cccc(-c2noc(SCC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2)c1 543536830 BMLRHQWYIPWLNX-UHFFFAOYSA-N 442.497 4.183 5 20 IIBD CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)Nc1ccc([N+](=O)[O-])cc1F 543639020 XXKGKRVAGPNXJL-UHFFFAOYSA-N 433.827 4.480 5 20 IIBD CC[C@H](N[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 544455375 DJFNQRFQJTUOLO-ONGXEEELSA-N 432.424 4.147 5 20 IIBD CC(C)N(Cc1cccc(Br)c1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] 544745912 JOQSHCGINDRSHO-UHFFFAOYSA-N 427.320 4.098 5 20 IIBD COc1ccc(CNC(=O)N2CC=C(c3cccc(Br)c3)CC2)cc1[N+](=O)[O-] 545159130 UPCSDKKVIBIJAG-UHFFFAOYSA-N 446.301 4.365 5 20 IIBD COc1cc(OC)c2cc(CCCNC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)[nH]c2c1 545820264 TXGBVSFHRJCGTA-UHFFFAOYSA-N 443.475 4.259 5 20 IIBD COc1cc(Cc2noc(-c3nc(C(C)C)n(-c4cccc(F)c4)n3)n2)ccc1[N+](=O)[O-] 546495507 VKZRQUJNUOGSEG-UHFFFAOYSA-N 438.419 4.087 5 20 IIBD O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1CCC(n2ccnn2)CC1 547360735 MHASSKQSQFALIF-UHFFFAOYSA-N 443.916 4.468 5 20 IIBD C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](c1cncc(Br)c1)C1CC1 551812834 OBKUWFFGRLUDLB-BLVKFPJESA-N 433.306 4.210 5 20 IIBD Cn1ccnc1[C@@H](NCc1csc(CCc2ccccc2)n1)c1cccc([N+](=O)[O-])c1 552043669 XPXFVYNEMUWIJB-QFIPXVFZSA-N 433.537 4.449 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 552270011 AYTOJEGHFJLVQZ-CQSZACIVSA-N 436.386 4.405 5 20 IIBD C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 559450215 GJLPQKIRRFMUSF-HNNXBMFYSA-N 440.887 4.422 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 561462873 NPCSKZVPXWBKMO-UHFFFAOYSA-N 433.873 4.331 5 20 IIBD CCOc1cccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1OC(F)F 561526057 LENFAUJZAXLOJL-UHFFFAOYSA-N 432.427 4.285 5 20 IIBD O=C(Nc1c(O)cc(Br)cc1Cl)c1ccn(-c2ccccc2[N+](=O)[O-])n1 570845226 ILLWVUVCAWRHFM-UHFFFAOYSA-N 437.637 4.154 5 20 IIBD O=C(NCc1cc(F)c(C(F)(F)F)cc1F)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 573005756 ACZLEUKSEJLIOI-UHFFFAOYSA-N 426.301 4.008 5 20 IIBD Cc1ccc([C@@H](c2noc(CSc3ccc(C(N)=O)cc3[N+](=O)[O-])n2)C(C)C)cc1 574000551 HUHSLEFEMNRXIB-IBGZPJMESA-N 426.498 4.465 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N3C[C@@H](C)S[C@H](C)C3)c([N+](=O)[O-])c2)c(C)c1 576798797 BJQMLHVKLHYGGU-HZPDHXFCSA-N 435.571 4.343 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CSc2nnc(C3CC3)n2C2CC2)c1 577327012 UDHPAIJDZHZADE-UHFFFAOYSA-N 442.282 4.296 5 20 IIBD CC[C@@H]1CN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](C)[S@]1=O 577800510 ZHTVJOBLSLAPPV-ZKHIDJGUSA-N 438.553 4.179 5 20 IIBD COc1ccc(Sc2nsc(NC(=O)N(C)CCc3ccccc3[N+](=O)[O-])n2)cc1 580246590 IFUACVNIQLHZIE-UHFFFAOYSA-N 445.526 4.313 5 20 IIBD COCc1nc(Cc2noc(-c3ccc(N4C[C@@H](C)C[C@@H](C)C4)c([N+](=O)[O-])c3)n2)cs1 582812204 ALJWQZBKWBUHEQ-OKILXGFUSA-N 443.529 4.321 5 20 IIBD COc1cc(-c2nc(CC(=O)Nc3cccc(Cl)c3Cl)no2)cc([N+](=O)[O-])c1C 583050846 LSONWVDSRAOELW-UHFFFAOYSA-N 437.239 4.450 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1 590680288 YOVFUENSZLDABU-UHFFFAOYSA-N 431.495 4.124 5 20 IIBD CCCc1ccc([C@@H](Nc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)c2cccs2)cc1 600847123 AEXMNMSUHJNYIT-HXUWFJFHSA-N 431.539 4.458 5 20 IIBD CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 603529038 COTPUCRKTSZNIL-UHFFFAOYSA-N 437.418 4.171 5 20 IIBD CCCCN(C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)[C@H](C)c1ccccc1 603529862 ODRZHXDPQTZKIM-GOSISDBHSA-N 434.496 4.453 5 20 IIBD O=C(Nc1c(F)cccc1F)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 603644916 AWGGREAXBMYKJI-UHFFFAOYSA-N 430.333 4.246 5 20 IIBD Cc1sc(NC(=O)c2nc(N3CCCC3)ncc2Cl)nc1-c1cccc([N+](=O)[O-])c1 603999142 XMSAQLSPEMJJNO-UHFFFAOYSA-N 444.904 4.323 5 20 IIBD CCO[C@@H]1CCCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 604427944 NBVOJXVVNLODEJ-JOCHJYFZSA-N 434.496 4.018 5 20 IIBD O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 604542913 WHIKJGNFXIYIFN-UHFFFAOYSA-N 433.399 4.037 5 20 IIBD CC(C)Cn1c(SC[C@@H](O)COc2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1F 608852279 ZWVNFERDJRTKMK-INIZCTEOSA-N 446.504 4.180 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCO[C@@H](c4ccccc4F)C3)cc2[N+](=O)[O-])CC1 608963491 RYHKGLNNHOVMTE-JOCHJYFZSA-N 427.476 4.184 5 20 IIBD COC(=O)c1ccc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c(OC(F)F)c1 609724797 MPVUPQCWSLPHCQ-UHFFFAOYSA-N 444.774 4.044 5 20 IIBD O=C(Cc1cccs1)Nc1ccccc1NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609762146 FZYOHIKTHXNALU-UHFFFAOYSA-N 448.460 4.344 5 20 IIBD CN(C)[C@H](CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1ccccc1 609853281 HLIICBGDRFPCFU-GOSISDBHSA-N 448.310 4.120 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@H]1c1cccc(F)c1 610346415 KLFQSUFHVVTTNF-INIZCTEOSA-N 426.370 4.321 5 20 IIBD CN(C)S(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cc1 611203846 FYGCMVITYNNRJL-UHFFFAOYSA-N 449.554 4.132 5 20 IIBD Cc1cc(NC(=O)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc(C(F)(F)F)c1 618867472 NAIPWAYVJSIRFD-UHFFFAOYSA-N 449.307 4.196 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)c1cccc(OCc2ccccc2)c1 619499715 PGYGAICYJWOFMA-INIZCTEOSA-N 442.493 4.222 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 674471878 JPFDCBJABWIQHQ-HUUCEWRRSA-N 442.359 4.354 5 20 IIBD COc1ccc2nc(Cl)ccc2c1S(=O)(=O)Oc1cc(Cl)ccc1[N+](=O)[O-] 725829393 ZHZJTDOQPYLNPR-UHFFFAOYSA-N 429.237 4.226 5 20 IIBD COCC(=O)Nc1ccc(Nc2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])cc1 727431383 OZMFUYIWWDPRRD-UHFFFAOYSA-N 434.452 4.484 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC[C@@H](c3ccccc3)CC2)c(S(=O)(=O)N2CCCC2)c1 727433065 WIUZVXYXOBLZMV-LJQANCHMSA-N 429.542 4.153 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc(CC[C@@H](O)c3ccccc3)cc2)cc([N+](=O)[O-])c1 727763272 KJJGIGZVOKTWJM-JOCHJYFZSA-N 434.448 4.300 5 20 IIBD Nc1nc(Sc2nnc(Nc3ccc(SC(F)F)cc3)s2)ncc1[N+](=O)[O-] 728049057 KFCKOUJINNAACX-UHFFFAOYSA-N 429.459 4.028 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@@H]32)cc1SC 728462711 RNHJZQFGISCQBH-AEFFLSMTSA-N 427.526 4.082 5 20 IIBD COc1c(C)cnc(CN2CCC(N(C)C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)c1C 728502453 JROJTCISUFTOPU-UHFFFAOYSA-N 446.935 4.005 5 20 IIBD O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1csc(-c2ccc(Cl)cc2)n1 731510889 RVRVDSZJAYTMMS-KRWDZBQOSA-N 443.868 4.334 5 20 IIBD O=Cc1ccc(OCC(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)c([N+](=O)[O-])c1 731604379 LBDVPDXZBQZVFR-XMMPIXPASA-N 430.416 4.438 5 20 IIBD CCOC(=O)c1oc2ccccc2c1CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 734141530 PKGYDECBSDRJRW-UHFFFAOYSA-N 437.452 4.366 5 20 IIBD O=C(Nc1cc(-c2ccccc2Br)no1)c1cc([N+](=O)[O-])cc2c1OCCO2 736683394 SOWJQOJXAFPWKH-UHFFFAOYSA-N 446.213 4.036 5 20 IIBD C[C@H]1COCCN1c1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 737724681 IFCJKGTUOGZBLD-SFHVURJKSA-N 427.504 4.019 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 740483795 XAYMABIEMPUADS-JOCHJYFZSA-N 429.492 4.212 5 20 IIBD Cc1nc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)sc1C 741819475 HHHZCDDOFMCFTG-CQSZACIVSA-N 446.529 4.088 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(=O)NCc1ccc(Cl)cc1 744553785 IBUDFMPBWNPGKI-HNNXBMFYSA-N 445.903 4.100 5 20 IIBD C[C@@H](NC(=O)COC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccc2ccccc2c1 744623743 XCSAJFBEMGGPMU-MRXNPFEDSA-N 431.448 4.123 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OCc1ncc(-c2ccccc2Br)o1 744627188 UOPWAXLPRWHXSM-UHFFFAOYSA-N 446.257 4.435 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@@H](C)c1ccccc1C(F)(F)F 745306286 ADORMMFKZMYJQJ-NWDGAFQWSA-N 440.374 4.296 5 20 IIBD O=C(OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 745348413 CDKQLBVUBOMACG-DLBZAZTESA-N 435.263 4.138 5 20 IIBD C[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(N2CCCC2=O)cc1 747652608 XDEBFPVPNMQDNX-AWEZNQCLSA-N 436.493 4.336 5 20 IIBD CCC(CC)(CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])NC(=O)OC(C)(C)C 751030636 SZHCWKBLPASVHT-UHFFFAOYSA-N 444.326 4.171 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 751472628 VGXCVAXKYZBJQT-ZWKOTPCHSA-N 430.505 4.490 5 20 IIBD CN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 755030362 PUADQKGQNZVISA-UHFFFAOYSA-N 447.333 4.486 5 20 IIBD O=C(CCCc1nc(-c2cccs2)no1)Nc1ccc(Br)c([N+](=O)[O-])c1 755371492 WCAPDVPXIHANCV-UHFFFAOYSA-N 437.275 4.430 5 20 IIBD O=C(COC(=O)CCc1cccc([N+](=O)[O-])c1)Nc1cc(C(F)(F)F)ccc1Cl 756528032 OAVJNJWGFRBLHZ-UHFFFAOYSA-N 430.766 4.382 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)OCc1nc(Cc2cccc(Br)c2)no1 756530628 YOGFTQYPOLVFPV-UHFFFAOYSA-N 446.257 4.007 5 20 IIBD Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl 757204868 ZNKNMOLFMUTWKK-UHFFFAOYSA-N 444.797 4.170 5 20 IIBD Cc1ccsc1C(=O)Nc1ccc(OS(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1 759020701 JGVGMAUOFRLEJI-UHFFFAOYSA-N 432.479 4.126 5 20 IIBD Cc1ccc(C(=O)N[C@H](C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C(C)C)cc1 760451585 NSFPORNDSJKLPK-FQEVSTJZSA-N 437.452 4.056 5 20 IIBD CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)N2C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 763063108 KGPLXZCHMWOBMZ-GOOCMWNKSA-N 428.489 4.127 5 20 IIBD COc1ccc(-c2nc(COC(=O)c3cc([N+](=O)[O-])ccc3SCCO)cs2)cc1 763747547 UUKASIZCDJBWIN-UHFFFAOYSA-N 446.506 4.168 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1cc(O)cc(O)c1 768594791 ZWBGBWAQLAXKHR-LJQANCHMSA-N 442.811 4.196 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(Cl)nc1C(F)(F)F 769198813 XQHXOTPYULGQNN-UHFFFAOYSA-N 428.710 4.069 5 20 IIBD C[C@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)CN1C(=O)OC(C)(C)C 771748245 CDFREFIRTVOEDF-KGLIPLIRSA-N 446.529 4.188 5 20 IIBD COc1ccc([C@H](OC)[C@@H](C)NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1 772416172 NSDVVDJACLCULH-PIGZYNQJSA-N 438.278 4.264 5 20 IIBD Cc1sc(S(=O)(=O)Oc2cnc3ccc(Br)cc3c2)cc1[N+](=O)[O-] 772990086 CRBPWXUZPPQGBO-UHFFFAOYSA-N 429.273 4.043 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cccc(NC(=O)[C@H]3Cc4ccccc4O3)c1)CC2 773996078 ITLLHTRZDSXNFN-HSZRJFAPSA-N 443.459 4.048 5 20 IIBD CC[C@H](C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(OC)cc1 775945816 LHDZLYGHQYNBLJ-HNNXBMFYSA-N 440.374 4.298 5 20 IIBD O=C(Nc1cncc(Cl)c1Cl)c1ccc(I)c([N+](=O)[O-])c1 778078597 NVUHUMLQOQYULU-UHFFFAOYSA-N 438.008 4.154 5 20 IIBD O=[N+]([O-])c1ccc2ncnc(Sc3nnc(-c4ccncc4)n3Cc3ccccc3)c2c1 782133238 KXXGVQMNOPHBRG-UHFFFAOYSA-N 441.476 4.391 5 20 IIBD C[C@@H]1CSc2ccccc2N1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 784038766 LXDUUXKXHUFSHN-SNVBAGLBSA-N 429.317 4.047 5 20 IIBD O=C(Nc1cc(F)c(N2CCCCC2)c(F)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 785102406 PKAKAQLYYZQRLJ-UHFFFAOYSA-N 438.818 4.094 5 20 IIBD C[C@@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 786931734 QFAAGOVGZKYNQR-SUMWQHHRSA-N 447.454 4.118 5 20 IIBD Cc1ccc(CNC(=O)c2cccc(CNC(=O)c3cc([N+](=O)[O-])cc(C)c3F)c2)cc1 790253887 CCOKAMPMNNYGMM-UHFFFAOYSA-N 435.455 4.211 5 20 IIBD CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cn1 792329148 CIIWDGOJIQLGIV-OAQYLSRUSA-N 437.500 4.196 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)O[C@@H]2CCCc3ccc(F)cc32)cc1[N+](=O)[O-] 797234609 LKWHFPUMGCDYJL-QGZVFWFLSA-N 428.445 4.248 5 20 IIBD O=C(Nc1ccccc1OCC1CC1)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O 798293697 ADLWNFDZKWJWNZ-UHFFFAOYSA-N 428.832 4.181 5 20 IIBD Cc1ccccc1CS(=O)(=O)NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 798899092 LDEKHZGIHGKMJR-UHFFFAOYSA-N 434.539 4.198 5 20 IIBD O=C(NCC1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1)C(F)(F)F 798956056 FQRZAGIOZUWXSB-UHFFFAOYSA-N 427.448 4.214 5 20 IIBD O=C(OCc1nc2cc(Br)ccc2o1)c1cc([N+](=O)[O-])ccc1OC(F)F 803423914 GHLMEQXRLVWWJM-UHFFFAOYSA-N 443.156 4.457 5 20 IIBD CCc1ccc(NC(=O)c2nnc(COC(=O)c3cc([N+](=O)[O-])cc(C)c3F)s2)cc1 803461220 WJZUXZXLZWBTNQ-UHFFFAOYSA-N 444.444 4.066 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc(-c3noc(C(F)F)n3)cc2)cccc1[N+](=O)[O-] 805634749 QOYPAUDYJSZSPP-NSHDSACASA-N 446.366 4.075 5 20 IIBD O=C(NC1CCCCC1)OC[C@@H]1CCCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 805830039 WCEMODMUOVBADJ-IBGZPJMESA-N 443.504 4.058 5 20 IIBD CCC[C@]1(CO)CCN([C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C1 808797213 ZGJYGFDXXCHCLQ-UNMCSNQZSA-N 431.920 4.413 5 20 IIBD COc1cccc(C(=O)O[C@@H](C)c2ccc(S[C@H]3CCCCNC3=O)cc2)c1[N+](=O)[O-] 809045210 FUNVJTLDYYOKGT-LIRRHRJNSA-N 444.509 4.282 5 20 IIBD CC(C)(C)Sc1ccc(-c2noc(-c3cccc([N+](=O)[O-])c3N3CCOCC3)n2)nc1 809447084 IFXFRPNMKYUNKV-UHFFFAOYSA-N 441.513 4.434 5 20 IIBD CC(C)(C)C(=O)NC1CCC(C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 811218145 OSPQXNYUXXLPTF-UHFFFAOYSA-N 445.541 4.483 5 20 IIBD COc1ccc(CSCC(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)cc1[N+](=O)[O-] 914918256 XUWIQEJEZDGTOW-UHFFFAOYSA-N 449.872 4.283 5 20 IIBD COc1ccc(CNCc2ccc(-n3ccnc3)nc2)cc1OCc1ccc([N+](=O)[O-])cc1 915227870 LEYXGUSFDXPCFR-UHFFFAOYSA-N 445.479 4.053 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2nc3ccc(Br)cc3s2)cc1[N+](=O)[O-] 916111092 XJSOGPOXVUWWKV-UHFFFAOYSA-N 428.289 4.076 5 20 IIBD COc1cc([C@H](C)NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccncc1 916493395 QPXDAUMZLAFBGC-VTGFLYEISA-N 433.464 4.468 5 20 IIBD O=[N+]([O-])c1nn(CN2CCc3sccc3[C@H]2c2cccs2)cc1Br 917614364 SPCNEFQZQJBEGC-AWEZNQCLSA-N 425.333 4.282 5 20 IIBD O=C(COC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)Nc1cc(C2CC2)nn1-c1ccccc1 919210119 GASGERCUCDMNDU-UHFFFAOYSA-N 446.419 4.200 5 20 IIBD CCc1cccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1O 919402051 BIEQCBQBRLUCFL-SNVBAGLBSA-N 426.347 4.066 5 20 IIBD O=C1/C(=C/c2cc([N+](=O)[O-])ccc2OC(F)F)NC(=S)N1Cc1ccccc1Cl 920836337 DZLGUIGDEILPEC-ZSOIEALJSA-N 439.827 4.107 5 20 IIBD Cc1cc(C(=O)NCCN2C(=O)S/C(=C\c3ccc(Cl)cc3)C2=O)cc([N+](=O)[O-])c1 920840505 ZSCGZNFZUIWNDY-YVLHZVERSA-N 445.884 4.023 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)Oc2c(Br)cccc2Br)c1 921291375 VBZRMYWNYBXZFH-UHFFFAOYSA-N 431.036 4.348 5 20 IIBD C[C@@H]1CC[C@H](C(=O)Nc2ccc(C3(NC(=O)c4cccc(F)c4[N+](=O)[O-])CCC3)cc2)O1 1789159017 WRIJPEHDJAVCFV-AUUYWEPGSA-N 441.459 4.049 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@@H]3CC=CCC3)CCC2)cc1)c1cc(O)cc([N+](=O)[O-])c1 1790755874 YMZXWWDQWGKKAR-MRXNPFEDSA-N 435.480 4.404 5 20 IIBD C[C@H](C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1)c1ccccc1 1792312200 SVOOVFYLETWIBW-INIZCTEOSA-N 432.480 4.474 5 20 IIBD Cc1ccccc1CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(C)c([N+](=O)[O-])c1 1800140159 UXUUGIUVSAOHRE-NUNAXRQHSA-N 449.551 4.025 5 20 IIBD CC[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C3)CC1 1802023433 MKUDIJZXWKNSJY-WSJSTIOHSA-N 441.572 4.382 5 20 IIBD CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)CCCC1 1823848337 RWSYNGJOTATEGV-NRFANRHFSA-N 443.544 4.114 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CCCCN2C(=O)CC2CCC2)CC1 1832838587 SRCMSQTVZNDIEJ-LEQVUBRHSA-N 439.556 4.418 5 20 IIBD Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)OCc3cccc([N+](=O)[O-])c3)c2)cc1 3487271 MFSXJWLBAXQIOU-UHFFFAOYSA-N 440.477 4.085 5 20 IIBD Cc1ccc(NC(=O)COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1Cl 11275830 PTUQOLUHKBIZMT-UHFFFAOYSA-N 434.879 4.298 5 20 IIBD Cn1c2ccccc2c2cc(C(=O)OCC(=O)N3CCc4ccc([N+](=O)[O-])cc43)sc21 21931078 PBICFBWNXVDGRI-UHFFFAOYSA-N 435.461 4.047 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)Cc2c(Cl)cccc2Cl)c([N+](=O)[O-])c1 28301154 AVBAYMLTBBCMJQ-UHFFFAOYSA-N 427.240 4.025 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(Cl)c(C(N)=O)c3)cc2[N+](=O)[O-])C1 29017770 PEQGCDSBVUMSPI-CHWSQXEVSA-N 430.892 4.082 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCc3ccc(Br)s3)cc2)c(C)c1[N+](=O)[O-] 29167531 RJZGFAXAMOTLQK-UHFFFAOYSA-N 449.330 4.210 5 20 IIBD COc1ccc([C@@H](C)NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1Br 32248959 XJNYSMXBMOIZHL-GFCCVEGCSA-N 445.273 4.043 5 20 IIBD O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 60775085 NWRKTNBOHGEUGH-UHFFFAOYSA-N 432.874 4.266 5 20 IIBD CC(C)CC(=O)Nc1cccc(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 64422589 BJJNVCYGHJZXOP-UHFFFAOYSA-N 438.528 4.112 5 20 IIBD COc1ccc(CNc2ccnn2C[C@H]2CCOC2)cc1OCc1ccc([N+](=O)[O-])cc1 237383654 YWVCXSZBXMSTJJ-LJQANCHMSA-N 438.484 4.028 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NCC2(c3ccccc3Cl)CCOCC2)c1[N+](=O)[O-] 301194781 YJIJHGGKNJTNBD-UHFFFAOYSA-N 435.864 4.117 5 20 IIBD NS(=O)(=O)c1cc(N[C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)cc([N+](=O)[O-])c1 301924538 KYPBOWJVTSTPOZ-RDJZCZTQSA-N 429.420 4.009 5 20 IIBD Cc1ccccc1[C@@H](CC(C)C)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303480916 SWMJJQFQVWCJJG-QZTJIDSGSA-N 429.542 4.473 5 20 IIBD COc1cc(OCC(=O)N[C@H](Cc2ccccc2)c2sccc2C)ccc1[N+](=O)[O-] 303927933 WUGZRTOEVYYDBX-GOSISDBHSA-N 426.494 4.452 5 20 IIBD COc1cc(CN2CCOc3ccc(F)cc3C2)c([N+](=O)[O-])cc1OCC(F)(F)F 426515370 HZJAFVIKWULKOO-UHFFFAOYSA-N 430.354 4.078 5 20 IIBD CCCSC[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)O 426775318 SDTRITJVICSRPN-HNNXBMFYSA-N 443.319 4.303 5 20 IIBD CCN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(Br)cn1 429786671 VAPBEVYMPZONOT-UHFFFAOYSA-N 429.068 4.182 5 20 IIBD O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 430023204 CVMZGCVCIIKWAP-CQSZACIVSA-N 429.267 4.022 5 20 IIBD O=C(NC[C@H](CO)Cc1cccc(Br)c1)c1cc2cc([N+](=O)[O-])ccc2s1 430120241 GYNNRDVCFYCENF-CYBMUJFWSA-N 449.326 4.153 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CC3(CCCC3)c3ccccc32)cc1[N+](=O)[O-] 434049637 QZQXGOUEKJOMKP-UHFFFAOYSA-N 435.509 4.347 5 20 IIBD CN(C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ncccc1F 434317719 MCXUIHVNFGMCSA-UHFFFAOYSA-N 431.427 4.187 5 20 IIBD Cc1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cnn1-c1ccccc1F 435343899 QVRVMDSAKNYMSW-UHFFFAOYSA-N 433.237 4.172 5 20 IIBD Cc1ccc([C@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@H](C)S(C)(=O)=O)cc1 437872446 GNKGTCXUVMYRSD-MGPUTAFESA-N 432.542 4.105 5 20 IIBD CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 438788631 FVDKQBPDUJNFTA-UHFFFAOYSA-N 446.312 4.184 5 20 IIBD O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CC[C@@H](OCCN2CCCC2)C1 442658225 ZEQMIVIMTITQNX-GOSISDBHSA-N 441.553 4.073 5 20 IIBD O=C(N[C@@H]1COc2ccc(Cl)cc21)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444244700 XKDGSOYGLFCZAS-GOSISDBHSA-N 426.806 4.476 5 20 IIBD COc1cccc(C(=O)NC[C@H](C)Sc2ccc(Br)cc2)c1[N+](=O)[O-] 444263208 MSYZKXOYVPMZNH-NSHDSACASA-N 425.304 4.277 5 20 IIBD CCCOc1ccc(C(=O)CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1 444290006 IWNJJOAVKJESDO-UHFFFAOYSA-N 432.451 4.222 5 20 IIBD O=C(NCC1(c2ccc(C(F)(F)F)cc2)CC1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 444523831 FWLFNPGHGIYSDW-UHFFFAOYSA-N 431.370 4.329 5 20 IIBD CC(C)n1c(C(F)(F)F)nc2cc(C(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)ccc21 444638387 VWFFMUJYAHGDSV-UHFFFAOYSA-N 446.389 4.351 5 20 IIBD O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1sc(Br)cc1[N+](=O)[O-] 444858931 NBNXUFLKITUZQI-GFCCVEGCSA-N 427.276 4.229 5 20 IIBD Cc1cc(N2C[C@@H](c3nc(-c4ccc([N+](=O)[O-])s4)no3)CC2=O)ccc1Br 445480713 ISZDWUZLIJVCTD-JTQLQIEISA-N 449.286 4.298 5 20 IIBD O=C(Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])c1cn(Cc2cccc(F)c2)nn1 446428461 UPSRDLVFJQHOMQ-UHFFFAOYSA-N 447.426 4.205 5 20 IIBD Cc1cc(C[C@H](C)Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)n(-c2ccccc2)n1 448070790 TWFLSFFOGMSIGQ-KRWDZBQOSA-N 433.512 4.368 5 20 IIBD O=C(Cc1noc(-c2ccc(NC3CC3)c([N+](=O)[O-])c2)n1)Nc1cccc(C(F)(F)F)c1 460153530 XXUWZSWWSRJLJD-UHFFFAOYSA-N 447.373 4.419 5 20 IIBD COCc1ccccc1NC(=O)c1cc(C(=O)Nc2ccccc2COC)cc([N+](=O)[O-])c1 460719857 OCKLMXSEKFAAQB-UHFFFAOYSA-N 449.463 4.392 5 20 IIBD Cc1ccc([C@H](C)NC(=O)NCc2cc(Br)cc3c2OCC3)cc1[N+](=O)[O-] 462200856 HNOIFERKMNXGDY-LBPRGKRZSA-N 434.290 4.161 5 20 IIBD CCCCN1CCC(Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])CC1 462381763 YBAPCVIBJDKQTP-UHFFFAOYSA-N 432.546 4.072 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 462904113 SMNVRJAYJSJVBL-SIKLNZKXSA-N 437.540 4.268 5 20 IIBD Cc1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)cc1[N+](=O)[O-] 465309496 WMAKBSGGRWOPHL-UHFFFAOYSA-N 448.209 4.066 5 20 IIBD Cc1nc(-c2ccc(S(=O)(=O)NCc3ccc([N+](=O)[O-])cc3Cl)s2)cs1 466516770 SQURSHLXCGJXIY-UHFFFAOYSA-N 429.932 4.220 5 20 IIBD CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 466764802 IDKAAMOWQRYXMG-UHFFFAOYSA-N 447.944 4.434 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(Oc2cccc(OC)c2)cc1 468098884 BQHRPNQNGJXFBN-LJQANCHMSA-N 439.472 4.267 5 20 IIBD CC(C)[C@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccccc1Cl 469436187 KXFVPICBIQQCDH-FQEVSTJZSA-N 429.860 4.029 5 20 IIBD CC1CCN(c2ccc(C(=O)N3C[C@@H](C)O[C@H](c4ccsc4)C3)cc2[N+](=O)[O-])CC1 470742405 BSTVCILXDBMSQS-IERDGZPVSA-N 429.542 4.495 5 20 IIBD COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 472642117 MGGVOWSZWIJKGO-KRWDZBQOSA-N 437.855 4.238 5 20 IIBD C[C@@H](CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)Cn1ccnc1 473877416 NSOFSKHAWGAPHC-HNNXBMFYSA-N 427.892 4.123 5 20 IIBD COC(=O)COc1ccc(CNc2ccc(C)c(NC(=O)C(C)(C)C)c2)cc1[N+](=O)[O-] 473986571 DKPGSGGLWQXIDJ-UHFFFAOYSA-N 429.473 4.052 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccccc1-c1cc(F)c(F)c(F)c1 474755645 LKENASKDFCSPBE-UHFFFAOYSA-N 443.337 4.226 5 20 IIBD CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)Cc1cccc([N+](=O)[O-])c1 475686646 KMMYFUDYKAEBSQ-GOSISDBHSA-N 435.318 4.054 5 20 IIBD CCc1nc([C@H](C)NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)n[nH]1 477291622 GQZPLJFAXNBMOQ-LBPRGKRZSA-N 428.880 4.032 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCc1cccc(OCC(F)(F)F)c1 478499616 GFIZVBNCYDBHLA-LBPRGKRZSA-N 446.809 4.316 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCO[C@@H](c2ccc(F)cc2Cl)C1 479296820 RERHUHWNYAODSS-MRXNPFEDSA-N 443.656 4.364 5 20 IIBD Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccco2)cc1[N+](=O)[O-] 479885723 CSUWOTOASCSZKD-UHFFFAOYSA-N 439.453 4.127 5 20 IIBD CCc1nnc(-c2ccc(NC(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)cc2)o1 482472395 FVADDRURYSCECY-UHFFFAOYSA-N 446.467 4.321 5 20 IIBD CCOC(=O)c1sc(NC(=O)c2ccccc2[N+](=O)[O-])c(C(=O)OC(C)(C)C)c1C 483385770 WSUQTVZYTWPUJC-UHFFFAOYSA-N 434.470 4.349 5 20 IIBD COC(=O)[C@@H]1CC12CCN(C(=O)c1ccc(Sc3ccc([N+](=O)[O-])cc3)cc1)CC2 487708781 NIJCBAPWBTVNHF-IBGZPJMESA-N 426.494 4.161 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N(C)C[C@H](O)COCc3ccccc3)c([N+](=O)[O-])c2)cc1 488302477 DTXBSYIKROENTF-QFIPXVFZSA-N 449.507 4.169 5 20 IIBD O=C(CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)Nc1ccccc1 489656990 FRSVNGSNCITJIW-UHFFFAOYSA-N 425.828 4.409 5 20 IIBD C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)c1ccc(OC(F)F)cc1 492350149 IKLBTPPHEFCRJN-CYBMUJFWSA-N 441.456 4.154 5 20 IIBD CC(C)(CNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1cccc(C(F)(F)F)c1 494873443 KIQHFHLUVPEXDA-UHFFFAOYSA-N 439.438 4.134 5 20 IIBD CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCc1ccc([N+](=O)[O-])cc1 497427531 FUGJYQQRDHAWST-GOSISDBHSA-N 438.311 4.363 5 20 IIBD Cc1cccc(Oc2cc(CNc3cccc(S(C)(=O)=O)c3[N+](=O)[O-])ccn2)c1C 497525719 ULKWSSZEWZBZCQ-UHFFFAOYSA-N 427.482 4.415 5 20 IIBD CS(=O)(=O)c1cccc(Sc2nnc(-c3cccc4ccccc34)o2)c1[N+](=O)[O-] 497537118 TVDNYPCPFYWBIB-UHFFFAOYSA-N 427.463 4.353 5 20 IIBD O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1nn(-c2ccc(F)cc2)c2c1CCC2 499050274 BICJVXUNXIJLSU-UHFFFAOYSA-N 432.415 4.051 5 20 IIBD C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 500841126 OVZBDMCDRKODQT-HOCLYGCPSA-N 437.418 4.101 5 20 IIBD Cc1ccc(CCN(Cc2ccco2)S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cc1 500938477 ZLUQZSHEVMVSFI-UHFFFAOYSA-N 428.510 4.113 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N1CCC[C@H](CO)C1 501774989 WBNDHVTZWCHCKJ-KMTKGMGQSA-N 437.521 4.366 5 20 IIBD COc1cc(CSc2nnc3n(C)c4ccccc4n23)c([N+](=O)[O-])cc1OCC(F)F 502886474 GTZDILZGSREAMQ-UHFFFAOYSA-N 449.439 4.074 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@H](C)[C@@H]2CCCOC2)c([N+](=O)[O-])c1 503297780 ZXIGUGYCNIUNIG-IAGOWNOFSA-N 433.530 4.037 5 20 IIBD COCCSc1ccc([C@@H](C)NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 504720758 LTKWIMHXNOEIDQ-QGZVFWFLSA-N 443.569 4.427 5 20 IIBD C[C@@H](c1cccc(Br)c1)[S@@](=O)CCC(=O)Nc1ccccc1[N+](=O)[O-] 507683408 KQGHPENWCWWXOF-VDBVYFBLSA-N 425.304 4.196 5 20 IIBD CCOC(=O)CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@@H](C)c1cccc(Br)c1 508316472 LJHUKFDKHIJVBR-NSHDSACASA-N 441.303 4.185 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 509815429 SXEIZOQJBVLIER-QGZVFWFLSA-N 442.859 4.244 5 20 IIBD Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)NCCNc3ccc([N+](=O)[O-])cc3)c12 512378086 XPYSGSHPYPZWCO-UHFFFAOYSA-N 438.532 4.368 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNCCn3cc(Br)cn3)o2)c(Cl)c1 512972148 QGHSTNIHOFSYGR-UHFFFAOYSA-N 425.670 4.257 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1Sc1nnc(-c2cccc(OC)c2)n1Cc1ccco1 514626675 AUCANDPYGDFIHO-UHFFFAOYSA-N 440.485 4.179 5 20 IIBD CCN(C(=O)Cc1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1)c1ccccc1 515688049 NEODEKQEZVEOFE-UHFFFAOYSA-N 433.464 4.451 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(-n2ccnc2)c(F)c1 516542654 OGGXMSDTHSQVOR-UHFFFAOYSA-N 437.353 4.379 5 20 IIBD CCN([C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 517488631 JFJGYXDAOYHEKA-NSHDSACASA-N 431.283 4.268 5 20 IIBD CC(C)(CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1c(Cl)cccc1Cl 519132330 PQNJAQSRCUZWSR-UHFFFAOYSA-N 425.268 4.380 5 20 IIBD Cc1ccc(Cl)cc1N1CC[C@H](CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 522617719 RLHMNWRDWYMLGR-CYBMUJFWSA-N 444.340 4.015 5 20 IIBD COC(=O)c1cc(CNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)oc1C 522708988 RRANADNBNREZBJ-UHFFFAOYSA-N 425.397 4.397 5 20 IIBD COCCNc1ccc(CNC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1 522759231 PFYFOTTXURWEJL-QZTJIDSGSA-N 440.544 4.065 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c1 525659060 DKALUUSESKZUQY-KRWDZBQOSA-N 435.402 4.016 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 536155540 PEQOOUVDRYHXHT-HXUWFJFHSA-N 449.454 4.302 5 20 IIBD CCN(CCC1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1)CC1CC1 538949650 SVHBINHTJMSDQE-MRXNPFEDSA-N 436.984 4.409 5 20 IIBD CCCS(=O)(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cc1 540438399 JREHPBYYILZHEI-UHFFFAOYSA-N 437.543 4.499 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 543458532 BPCWCFGPYCYEBB-CMPLNLGQSA-N 438.410 4.432 5 20 IIBD Cc1ccc(-c2nc(C)c([C@@H](C)NC[C@H](O)COc3cccc([N+](=O)[O-])c3)s2)cc1 543515726 KELVCQDWKBLABX-BEFAXECRSA-N 427.526 4.426 5 20 IIBD C[C@H](C(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1F 544446224 FHUQVXDANQYPDF-HNNXBMFYSA-N 442.468 4.450 5 20 IIBD COc1ccc(CCc2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)cc1F 545739145 OZGYMNBLSPHUSA-UHFFFAOYSA-N 436.237 4.264 5 20 IIBD CSc1cccc(N2C[C@H](c3nc(Cc4c[nH]c5ccc([N+](=O)[O-])cc45)no3)CC2=O)c1 545849476 HKEYMHNWBWWWGX-CQSZACIVSA-N 449.492 4.292 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(Cc3nc(Cc4ccn(-c5c(F)cccc5F)n4)no3)c2c1 547251183 UWWCGOFNPQSKKT-UHFFFAOYSA-N 436.378 4.105 5 20 IIBD C[C@H](CCc1ccccc1[N+](=O)[O-])Nc1cccc(C(=O)N2CCCC[C@@H]2CCO)c1 547361281 MDZKEOQQQOHCED-XMSQKQJNSA-N 425.529 4.405 5 20 IIBD CC(C)[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)CCO1 552854079 WSKIMRUBHVZSPN-BBRMVZONSA-N 449.554 4.066 5 20 IIBD CC(=O)N(c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@@H]1C[C@H]1C 554660766 OLNOMQNTDJDCIR-FHSNZYRGSA-N 431.876 4.416 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 557613114 GDOSXKNDCVCGLJ-JOCHJYFZSA-N 445.972 4.465 5 20 IIBD O=C(CN1CCC[C@@H]1c1ccc(Br)cn1)Nc1ccc([N+](=O)[O-])cc1Cl 559773771 IIOJDHDDKONGGV-MRXNPFEDSA-N 439.697 4.181 5 20 IIBD Cc1ccc(C)c([C@H](C)N(C)C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c1 560181106 PPEWNSGKSAGOQW-ZDUSSCGKSA-N 434.290 4.132 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 561230029 CBFPKDWEMURBLB-UHFFFAOYSA-N 436.386 4.206 5 20 IIBD O=C(N[C@H]1CCN(c2ccccc2F)C1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 561597237 XHBZHYPVPUUKAN-HNNXBMFYSA-N 437.421 4.107 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccc(F)c(-c3nc[nH]n3)c2)cc1[N+](=O)[O-])c1ccccn1 564004952 NPUCOBAXPTWSGX-CYBMUJFWSA-N 447.430 4.339 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 567405026 PPTPKXRDNRXYGX-UHFFFAOYSA-N 431.880 4.088 5 20 IIBD CCSc1cccc(Br)c1NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 568773939 GXFWAYCFZLKICQ-UHFFFAOYSA-N 447.332 4.279 5 20 IIBD CS(=O)(=O)c1cc(C(=O)N(Cc2cc(F)ccc2F)c2ccccc2)cc([N+](=O)[O-])c1 568928341 XBVZFYHFFNUOLM-UHFFFAOYSA-N 446.431 4.124 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C)cc1Br 571675564 FSNCHJFMHUGLAP-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD C[C@@H]1CCCN1C(=O)c1ccc(-c2noc(-c3ccn(-c4ccccc4[N+](=O)[O-])n3)n2)cc1 571935066 IQLVGKAVHGPYNE-OAHLLOKOSA-N 444.451 4.122 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(CC(=O)N[C@@H](C)c2ccccc2)no1 573644031 PULIOLXMQBJMHV-LBPRGKRZSA-N 445.273 4.136 5 20 IIBD O=C(Nc1cncc(Cl)c1Br)c1sc(Br)cc1[N+](=O)[O-] 574722715 ZGJZPQWNTZTHPV-UHFFFAOYSA-N 441.488 4.482 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)NC(Cc1ccccc1)Cc1ccccc1 579071949 BVEXUNADRMVNLI-UHFFFAOYSA-N 429.480 4.124 5 20 IIBD CC(C)(CNc1ccc(F)cc1[N+](=O)[O-])S(=O)(=O)c1ccc(Br)cc1 580360291 ZJUGUMSOAKIHHA-UHFFFAOYSA-N 431.283 4.161 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)NC(=O)N(C)CCc3ccccc3[N+](=O)[O-])n2)cc1F 581624810 AXQSSPREXVGKKU-CQSZACIVSA-N 427.436 4.037 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@H](Oc2ccc(Cl)cc2)C1 583044294 FMDDJIVYHOAGGT-AWEZNQCLSA-N 425.666 4.304 5 20 IIBD Cc1ccc(F)cc1NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 603645165 WCDADVAWWDXLFX-UHFFFAOYSA-N 426.370 4.415 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C(=O)c2cc(F)ccc2F)CC1 603906154 URULGRADNHMRPC-CYBMUJFWSA-N 434.464 4.475 5 20 IIBD CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 604519284 ZEKCTTVMXPCCSX-ZJSXRUAMSA-N 437.540 4.438 5 20 IIBD CC[C@H](C)[C@H](NC(=O)c1cc(C)cc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 609174851 XKYSWLKSQQDWEO-JTSKRJEESA-N 438.528 4.287 5 20 IIBD O=C(Cn1ccc([N+](=O)[O-])n1)Nc1sc2c(c1-c1nc3ccccc3s1)CCC2 609508063 UETVGNLUWQJDCS-UHFFFAOYSA-N 425.495 4.257 5 20 IIBD COc1cc(OC)c(C2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)CC2)c(OC)c1 609792502 VAIXQGYKUQNXDP-UHFFFAOYSA-N 448.903 4.223 5 20 IIBD CCCOc1cc(NC(=O)N2CCC[C@H]2[C@@H](O)C(F)(F)F)c([N+](=O)[O-])cc1OCCC 609842667 AXKXPMZTCRYJPK-SUMWQHHRSA-N 449.426 4.092 5 20 IIBD C[C@H]1CCN(C)c2ccccc2N1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 610890513 QGGCPMCJCQOGDP-NSHDSACASA-N 430.313 4.325 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1csc(-c2ccc3c(c2)OCO3)n1 726524975 JPWDZPJWHAUMQT-UHFFFAOYSA-N 431.857 4.373 5 20 IIBD C[C@H](OC(=O)c1csc(Cc2ccc(F)cc2)n1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 727018631 FFZQQVSHUYNCBL-NSHDSACASA-N 447.419 4.104 5 20 IIBD Cc1ccc[n+](/C(C(=S)NCCc2cccs2)=C(/O)c2cccc([N+](=O)[O-])c2)c1 727812369 OLKRLEDQVGWFBA-UHFFFAOYSA-O 426.543 4.296 5 20 IIBD O=C(Cc1coc(-c2ccc(Cl)cc2)n1)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 729778588 FPYLIJUQWRDABX-UHFFFAOYSA-N 440.799 4.239 5 20 IIBD C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)OCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 730634919 GUXJZNVGQQHJDC-LBPRGKRZSA-N 425.268 4.286 5 20 IIBD Cc1ccc(SCC(=O)OC[C@@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])c(C)c1 730706016 ULAJLYCOSMOKLN-KRWDZBQOSA-N 428.510 4.152 5 20 IIBD CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)CCOc3ccccc3[N+](=O)[O-])cc2C1 732026836 FHYGOVPUTTWOBU-UHFFFAOYSA-N 441.484 4.296 5 20 IIBD COc1cc(COC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)c([N+](=O)[O-])cc1OC(F)F 734923701 RASBIPIVZHWHSU-GHMZBOCLSA-N 429.322 4.330 5 20 IIBD O=[N+]([O-])c1cccc(/C(O)=C(/C(=S)NC(C2CC2)C2CC2)[n+]2cccc(O)c2Cl)c1 735665748 HATJERIROAGVSJ-UHFFFAOYSA-O 446.936 4.231 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)CSc1nncn1-c1cccc(Cl)c1 735790963 GYULBOWLJDXHRE-UHFFFAOYSA-N 439.280 4.488 5 20 IIBD CC(C)(C(=O)OCC(=O)N(Cc1ccccc1)CC(F)(F)F)c1ccc([N+](=O)[O-])cc1 740390932 IEGBQOHUOSXLGX-UHFFFAOYSA-N 438.402 4.007 5 20 IIBD CC1CCC(N(C(=O)COC(=O)c2ccc([N+](=O)[O-])cc2Br)C2CC2)CC1 740424109 ZIFTXKIJXUBPAU-UHFFFAOYSA-N 439.306 4.084 5 20 IIBD Cc1cccc2c(CC(=O)OCC(=O)Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c[nH]c12 741357689 NNSHUTKQCAQJLC-UHFFFAOYSA-N 435.358 4.128 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)ncn1 741956207 LCADWIHSTQZJLA-UHFFFAOYSA-N 431.496 4.405 5 20 IIBD COc1ccc(NC(=O)c2ccccc2NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1 743618396 AZCLPKXKYCJLNK-UHFFFAOYSA-N 444.447 4.449 5 20 IIBD Cc1nn(Cc2ccc(C(=O)OC[C@@H]3CCN(c4ccccc4)C3)cc2)c(C)c1[N+](=O)[O-] 744172959 JJYIHCGFAGSUOW-HXUWFJFHSA-N 434.496 4.140 5 20 IIBD O=C(NCc1ccco1)c1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 744357207 MTHNWYLOIJHXAO-UHFFFAOYSA-N 433.342 4.389 5 20 IIBD COc1cc(C(=O)O[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)c([N+](=O)[O-])cc1OC(F)F 744533710 KFPULRRVAZVYRS-NSHDSACASA-N 449.366 4.481 5 20 IIBD COC(=O)[C@H](OC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1Cl 744882334 UBLHFMCNUWIIIC-GOSISDBHSA-N 437.235 4.314 5 20 IIBD C[C@@H](OC(=O)[C@@H](C)c1ccc(Br)s1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 745636957 FTPFQRLIWZNAHL-DTWKUNHWSA-N 445.266 4.232 5 20 IIBD COc1ccc(N(CC(C)C)S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])cc1 745834665 VXZIRIPJCXOFQV-UHFFFAOYSA-N 443.319 4.217 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(c3ccc(F)cc3)CC2)c(C(F)(F)F)c1 746670965 KNYDPMQKJNJIDO-UHFFFAOYSA-N 432.395 4.321 5 20 IIBD CCNC(=O)c1cccc(OC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c1 749517337 KHNHADYXXQOBHR-UHFFFAOYSA-N 443.506 4.480 5 20 IIBD C[C@H]1C[C@@H](C)CN(CCCCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 749568803 WSHXDUNKFQEVGD-BETUJISGSA-N 446.773 4.499 5 20 IIBD O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cc(Br)cc([N+](=O)[O-])c1Cl 750827878 DEBCJDDFFLYGRC-AWEZNQCLSA-N 442.697 4.171 5 20 IIBD C[C@H](Nc1ccc(C(=O)Oc2ccccc2C(=O)N(C)C)cc1[N+](=O)[O-])c1ccccn1 751315716 IWWCPWRTUFXLDA-HNNXBMFYSA-N 434.452 4.084 5 20 IIBD COC[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1cccc(Cl)c1 752932952 SHLLSNQEIICUCD-ZDUSSCGKSA-N 431.645 4.267 5 20 IIBD CC(=O)N(Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc1)C(C)C 753080081 PPIGWLBLAAPVEI-UHFFFAOYSA-N 439.921 4.114 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754627559 DEZNCQHFWXIIKZ-UHFFFAOYSA-N 446.616 4.330 5 20 IIBD O=C(COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)Nc1ccc(OC(F)F)c(Cl)c1 756765688 JSRYBGYRESXWLF-UHFFFAOYSA-N 439.758 4.126 5 20 IIBD Cc1cccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1Br 757815935 JZZKKEJQJNOIQL-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD CC1CCN(c2ccc(-c3nc(-c4ccc(-n5ccnc5)nc4)no3)cc2[N+](=O)[O-])CC1 761480345 DHIXKLRDHPUVBZ-UHFFFAOYSA-N 431.456 4.129 5 20 IIBD O=C(c1cc(Cl)cc(Cl)n1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 762446910 OWMRFBKXVNKTFS-UHFFFAOYSA-N 449.216 4.278 5 20 IIBD COc1ccc2c(c1)[C@@H](C(=O)N(Cc1nnc(-c3cccc([N+](=O)[O-])c3)o1)C(C)C)CC2 762952288 NUHCGOSKTWSANP-IBGZPJMESA-N 436.468 4.120 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)O[C@H](C)c1ccccc1[N+](=O)[O-] 764600707 ZOFLESDSGPIWJA-FZKQIMNGSA-N 432.860 4.166 5 20 IIBD CC(C)C1(O)CN(C(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C1 765589854 SYFLWODHOISGGL-BOPFTXTBSA-N 437.521 4.365 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1sc(Br)cc1[N+](=O)[O-] 770833123 KYFZIHHEKSZDCM-UHFFFAOYSA-N 438.162 4.181 5 20 IIBD Cc1cc(S(=O)(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)cc([N+](=O)[O-])c1F 771731027 HIXDEXRTXSSMCK-UHFFFAOYSA-N 433.436 4.141 5 20 IIBD Cn1cnnc1COC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 771845957 KTEKAIAZORSBOS-UHFFFAOYSA-N 438.387 4.250 5 20 IIBD CCNC(=O)c1ccc(Cl)cc1NC(=O)c1sc(Br)cc1[N+](=O)[O-] 772125466 SQKPWTSQFBAKGY-UHFFFAOYSA-N 432.683 4.074 5 20 IIBD C[C@H](N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H](O)c1c(Cl)cccc1Cl 773047532 VRLYIDMDBKXXCH-UFYHVXEKSA-N 426.300 4.330 5 20 IIBD CN(Cc1c(F)cccc1Cl)C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O 773715170 VQOWTFCRSZDCEU-UHFFFAOYSA-N 439.230 4.204 5 20 IIBD COC(=O)c1cc(Oc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])ccc1[N+](=O)[O-] 774667988 RWTFJGMSKDAKJJ-UHFFFAOYSA-N 437.233 4.131 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1ccc(N2CCCC2)cc1 775085259 HGCVHWXVMHTJJR-UHFFFAOYSA-N 443.525 4.491 5 20 IIBD COC(=O)N(C)CCCC(=O)N(CC(C)C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 775496914 WRGLWMCONMSILP-UHFFFAOYSA-N 434.518 4.186 5 20 IIBD COC(=O)c1cnc(S[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)[nH]1 776433667 IFQUTVAHZQVVDB-INIZCTEOSA-N 446.872 4.230 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC1=CCN(C(=O)OC(C)(C)C)CC1 778120288 ZKCBVJBXOURYLG-UHFFFAOYSA-N 435.546 4.392 5 20 IIBD COc1cc([C@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C(F)(F)F)cc(OC)c1OC 779453270 ZYLJVGTVJATEQY-INIZCTEOSA-N 448.781 4.307 5 20 IIBD COc1ccc(C(=O)CC(C)(C)C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 780234036 IYBSTHWKKSINDF-UHFFFAOYSA-N 448.859 4.038 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 780544454 FQFSOGUYFBRXSJ-MRXNPFEDSA-N 435.524 4.058 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(Br)cc1Cl 781561381 OIUOBKWXVBNJCH-UHFFFAOYSA-N 428.626 4.490 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccccc1C(=O)NCc1ccccc1 781593587 WOUFZDNEMQAMOL-UHFFFAOYSA-N 448.435 4.004 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cccc(OCc2cscn2)c1 781638237 JCRMKZBYMWRJQP-UHFFFAOYSA-N 428.426 4.110 5 20 IIBD CC(C)(C)OC(=O)NCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 781865009 PGFBODFGYCJTKG-SFHVURJKSA-N 446.891 4.339 5 20 IIBD Cn1nc(C(F)(F)F)c(COC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1Cl 782276529 LYKZCGOPDCSRIY-UHFFFAOYSA-N 442.575 4.120 5 20 IIBD COc1ccc(NC(=O)c2cc(Br)nn2-c2ccc(C)cc2)cc1[N+](=O)[O-] 782469016 RODZMXGDRCQMLG-UHFFFAOYSA-N 431.246 4.112 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(CNc2ncc(Cn3cc(Br)cn3)s2)c1 784277817 DHEZBQFEXNUGQQ-UHFFFAOYSA-N 428.699 4.324 5 20 IIBD CC(C)(C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1F 785665948 ZMPPGENCFYEPJH-UHFFFAOYSA-N 429.326 4.255 5 20 IIBD C[C@H](OC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1nnnn1C1CCCCC1 787783222 VNXMMPAJIHOULR-NSHDSACASA-N 425.898 4.136 5 20 IIBD O=C(COc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1N1C(=O)c2ccccc2C1=O 790262066 ZFYWBWORZFYKMX-UHFFFAOYSA-N 436.807 4.311 5 20 IIBD Cc1c([C@@H](C)NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 790528471 QBWCQDDRPKGFLY-LLVKDONJSA-N 434.830 4.440 5 20 IIBD CCc1c(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cnn1-c1ccccc1Cl 792515444 HIERXWALCCDHMN-UHFFFAOYSA-N 429.820 4.465 5 20 IIBD Cc1nc(SC(F)F)sc1CC(=O)O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 796768192 ZSFKUUHHEZWCFN-GHMZBOCLSA-N 432.474 4.141 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 806948932 BBXOCOKBOFUHHH-INIZCTEOSA-N 432.691 4.478 5 20 IIBD CNc1ccc(Cl)c(C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 808608677 QVHJZDSYSWYMIQ-UHFFFAOYSA-N 431.754 4.104 5 20 IIBD O=[N+]([O-])c1c(Cl)cc(Cl)cc1Cn1nc(Br)nc1Br 809958618 FFVIBEMFIBVNSO-UHFFFAOYSA-N 430.871 4.066 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)C1 810085577 HPFBVVFDBPJXLK-MRXNPFEDSA-N 430.505 4.205 5 20 IIBD CC(C)(NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1[N+](=O)[O-] 813738353 GGEHPGRJUVONAQ-UHFFFAOYSA-N 426.351 4.256 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)cc1[N+](=O)[O-] 877869140 AEMDHMYIYUCHTO-CQSZACIVSA-N 442.453 4.247 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3ccc(OCc4cccnc4)cc3)no2)cc1-n1ccnc1 904467619 HSNHASSTBGVKJK-UHFFFAOYSA-N 440.419 4.472 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCc2c(cnn2-c2ccccc2)C1 917067772 YCLSZTGCAPYDSZ-UHFFFAOYSA-N 433.346 4.270 5 20 IIBD CCOC(=O)C1=C(c2ccc([N+](=O)[O-])cc2)NC(=S)N[C@@H]1c1ccc(-c2ccccc2)o1 917879623 TXTVBZQIDVDQND-OAQYLSRUSA-N 449.488 4.348 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)OCCOC1CCCC1 918515796 HOAHESLTSZBBKX-UHFFFAOYSA-N 435.480 4.492 5 20 IIBD C[C@H](OC(=O)c1ccc(Br)cc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 919494066 UXXQRTYQZGSVDT-VIFPVBQESA-N 427.638 4.195 5 20 IIBD O=C(NCc1nccs1)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 920475640 OGIIOYGYBSVRFP-UHFFFAOYSA-N 436.537 4.440 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1cccc(COCCc2ccccc2)c1 920846217 CDLAQMBOIMRVQB-UHFFFAOYSA-N 430.464 4.343 5 20 IIBD COc1cc(CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)ccc1OCc1ccccc1 921269768 KMDWYTVVRHCJJU-UHFFFAOYSA-N 440.427 4.017 5 20 IIBD CC1CCN(CCc2nnc(-c3ccc(N[C@H](C)c4ccccn4)c([N+](=O)[O-])c3)o2)CC1 1117251089 SUXWILMZUYLLMQ-QGZVFWFLSA-N 436.516 4.487 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCCc1coc(-c2ccccc2)n1 1318160744 PVOCMVDTFOOAGX-UHFFFAOYSA-N 448.401 4.430 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)C1(Sc2ccccc2)CC1)c1ccccc1[N+](=O)[O-] 1319443489 LBZNJPBCAHVOSI-SFHVURJKSA-N 428.510 4.419 5 20 IIBD Cc1ccc([C@H](C)NC(=O)NCc2ccc(-n3cnc4ccccc43)nc2)cc1[N+](=O)[O-] 1322416741 HTMHOOIHOXXBIL-INIZCTEOSA-N 430.468 4.198 5 20 IIBD COc1cc(CNc2ccc(-n3cncn3)cc2)c([N+](=O)[O-])cc1OCc1ccccc1 1337065414 OVVCLWPLLRVWIE-UHFFFAOYSA-N 431.452 4.375 5 20 IIBD Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4conc4C)cc3)CCC2)cc1[N+](=O)[O-] 1787461557 KGTCDXUGBZHPBU-UHFFFAOYSA-N 448.479 4.190 5 20 IIBD CC1(C(=O)Nc2ccc(C3(NC(=O)Cc4cc([N+](=O)[O-])ccc4F)CCC3)cc2)CC1 1787600933 XUWVWNJUOKTMHQ-UHFFFAOYSA-N 425.460 4.211 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@@H]1C1CC1)c1cc2cc([N+](=O)[O-])ccc2s1 1792963514 DWXPRZNMCCVTOE-DARIXABFSA-N 439.537 4.107 5 20 IIBD Cc1cc(CCCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CC(C)C)c([N+](=O)[O-])cc1F 1795478040 XICDLEYIELZKNG-REPLKXPHSA-N 433.524 4.049 5 20 IIBD Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C3)ncc1[N+](=O)[O-] 1797073275 IOXYJLZUIQVJFY-CCQCEHTISA-N 442.560 4.012 5 20 IIBD CC[C@@H](C(=O)N1CCCC2(CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)C1)c1ccccc1 1809005981 HRXFANVWTOZQPQ-LJQANCHMSA-N 439.512 4.226 5 20 IIBD CC(C)(C)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1826338894 ZQAVBMJWMXQJMO-FQEVSTJZSA-N 433.524 4.403 5 20 IIBD CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(O)c([N+](=O)[O-])c3)CC2)CCCC1 1830489137 QPCVHIVFGULTHC-IBGZPJMESA-N 443.544 4.114 5 20 IIBD O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCc2sccc2C1 9896894 SXWNCYQGOBAOLG-UHFFFAOYSA-N 439.459 4.476 5 20 IIBD C[C@@H](Sc1nncn1CCc1cccs1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 11106310 REFNIWAMHYZNMJ-LLVKDONJSA-N 437.934 4.263 5 20 IIBD COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)Cc1ccccc1[N+](=O)[O-] 11651984 IPGHODLXIZLYOD-UHFFFAOYSA-N 435.436 4.046 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)cc2)cc1 15980813 BBWHYVWHNQMDJI-UHFFFAOYSA-N 426.450 4.351 5 20 IIBD C[C@@H](OC(=O)COc1ccc(Cl)c2ccccc12)C(=O)Nc1ccccc1[N+](=O)[O-] 19486557 SFYKBGQGMPXGHZ-CYBMUJFWSA-N 428.828 4.351 5 20 IIBD CCOC(=O)c1cc(C(=O)O[C@H](C)c2nnc(-c3ccc(C)cc3)o2)cc([N+](=O)[O-])c1 26559079 PJGHRRWUFIRXRV-CYBMUJFWSA-N 425.397 4.048 5 20 IIBD Cc1ccc2sc(N(Cc3ccccc3)C(=O)Cn3cc([N+](=O)[O-])ccc3=O)nc2c1C 31672251 HSTNBZFKOYIETL-UHFFFAOYSA-N 448.504 4.216 5 20 IIBD C[C@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O 59013561 KMOZEUVOJNMAIH-OAHLLOKOSA-N 445.928 4.131 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccc(F)c(Br)c1 59802168 BCAVWGWHAXAFLF-LLVKDONJSA-N 427.295 4.336 5 20 IIBD COc1ccc(COc2ccc(N(C)S(=O)(=O)c3ccc(F)cc3)cc2)cc1[N+](=O)[O-] 60803471 YCQFSCQBKPOEGN-UHFFFAOYSA-N 446.456 4.147 5 20 IIBD Cc1cc(=O)c(C(=O)N(Cc2ccccc2)c2ccccc2)nn1-c1ccccc1[N+](=O)[O-] 69756021 PLASYTZUTFQLTE-UHFFFAOYSA-N 440.459 4.296 5 20 IIBD O=C(N[C@@H](COc1ccccc1F)c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 71931465 CSKPEVSGWISNCW-IBGZPJMESA-N 425.372 4.192 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N(Cc1ccco1)Cc1ccco1 105542164 AQTNPJIDRUFRSW-UHFFFAOYSA-N 445.497 4.162 5 20 IIBD O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 109938046 ZVVSJIGVMWZZPJ-UHFFFAOYSA-N 436.443 4.451 5 20 IIBD Cc1noc(C)c1C[C@H](C)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 301391575 ZXNBGDPSEJABEX-ZDUSSCGKSA-N 430.486 4.044 5 20 IIBD C[C@H](CCc1ccc(Br)cc1)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] 301930404 KJPMGIJRZKQTHB-SNVBAGLBSA-N 433.349 4.256 5 20 IIBD Cc1nc([C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c2ccccc2F)no1 303583262 POKZUXQNSDWVPN-KRWDZBQOSA-N 439.428 4.068 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(C)c(Cc2ccc(C)cc2)s1 409532929 DZCIGJPCVOGKOM-UHFFFAOYSA-N 433.511 4.068 5 20 IIBD O=C(NC[C@]1(CO)C[C@@H]1c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 429612436 QHPDAMJJGGBTBN-QAPCUYQASA-N 427.354 4.040 5 20 IIBD C[C@@H](NC(=O)Nc1ccnn1Cc1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 429733809 FJOLOHXCUXPNCV-CYBMUJFWSA-N 444.289 4.485 5 20 IIBD O=C(NCc1ccc(Oc2ccccc2)nc1)c1ccc(Br)cc1[N+](=O)[O-] 429795510 ZVXNGJIEMYKZHI-UHFFFAOYSA-N 428.242 4.475 5 20 IIBD NC(=O)c1ccc(CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C2CC2)c(F)c1 430106797 NYIKYRUMONZDOR-UHFFFAOYSA-N 426.473 4.121 5 20 IIBD COc1cc(C(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)c([N+](=O)[O-])cc1OC 430458829 STKCQSKVBQQULX-UHFFFAOYSA-N 449.674 4.381 5 20 IIBD COc1ccc(CN(CCc2ccccn2)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 432427839 FXWLKUHEVAZQDX-UHFFFAOYSA-N 436.468 4.284 5 20 IIBD C[C@@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1ccc2c(c1)CCC(=O)N2 436070939 CBIDGRSSUKBQIL-CYBMUJFWSA-N 429.451 4.196 5 20 IIBD O=C(NCc1cccc(Cn2ccnc2)c1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436084308 BXOAPPRDESIYCO-UHFFFAOYSA-N 444.441 4.134 5 20 IIBD O=C(c1ccc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1)c1cccc(O)c1 444086224 JGJHMDOVZKTMBF-QHCPKHFHSA-N 434.473 4.419 5 20 IIBD COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444092149 CCOOTXWJVHLMMY-CJFMBICVSA-N 434.442 4.428 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCO[C@@]2(CCc3ccccc32)C1 444247070 SDFPVBKJCNDTRR-SANMLTNESA-N 446.453 4.274 5 20 IIBD Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H](CO)Cc1cccc(OC(F)(F)F)c1 446241808 RPTVVEFQOZPZMU-ZDUSSCGKSA-N 446.809 4.036 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCSc3c(F)cccc32)c(C(F)(F)F)c1 447034502 SACDGEQXFOHCNY-ZDUSSCGKSA-N 436.408 4.268 5 20 IIBD CCOc1cccc(CNC(=O)CSc2ccc(Br)cc2[N+](=O)[O-])c1 447358790 MADOUHCOJQMQFX-UHFFFAOYSA-N 425.304 4.165 5 20 IIBD Cc1ccc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)c2cccc(S(C)(=O)=O)c2)c(C)c1 460581809 AWGXYPYALYXWNB-QFIPXVFZSA-N 438.505 4.135 5 20 IIBD CC(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H](c2nncn2C(C)C)C1 460741619 MWZRROOEIKYCBH-GOSISDBHSA-N 438.536 4.066 5 20 IIBD CCS[C@@H]1CC[C@@H](N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCOC2)C1 461536482 MWXPHEQQAGVHLB-KVSKMBFKSA-N 431.562 4.000 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OC)c(N2CCCCC2=O)c1 462443263 WZCLSTGKUDSVBB-KRWDZBQOSA-N 425.485 4.328 5 20 IIBD O=[N+]([O-])c1ccc(NCc2cn3cc(Br)ccc3n2)c(Br)c1 462788094 FDPKTJKXFNMLTD-UHFFFAOYSA-N 426.068 4.380 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1cc(Br)c(F)cc1F 466481541 LDLDAYGPDPVFGR-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD O=C(NCCCO[C@@H]1CCOC1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 466528493 LGUUQJQAJJVELK-OAHLLOKOSA-N 436.917 4.325 5 20 IIBD C[C@@H](NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1)c1cccc([N+](=O)[O-])c1 467836135 GIDMBJDLKAIEDC-MRXNPFEDSA-N 443.500 4.063 5 20 IIBD CC(C)(C)S(=O)(=O)c1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 468096757 FRODRUGLGHCJNF-UHFFFAOYSA-N 445.541 4.022 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1CN1CCOCC1 469565329 NFBNGHQLJRRMNE-UHFFFAOYSA-N 433.464 4.472 5 20 IIBD CCCN1CCN(c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)c(OCC)c2)CC1 471162183 ONOXNMHQFMYSRG-UHFFFAOYSA-N 426.517 4.086 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 472537073 GAHAJDLYMXIUEW-KRWDZBQOSA-N 433.848 4.293 5 20 IIBD COc1cc(CCNC(=O)Nc2cc(C(F)(F)F)ccc2C)c([N+](=O)[O-])cc1OC 473062929 KLEKTWVZRKSIGD-UHFFFAOYSA-N 427.379 4.303 5 20 IIBD Cc1nc2ccccc2n1C1CCN(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 474646473 JCZYWBFWZCSBLD-UHFFFAOYSA-N 427.892 4.453 5 20 IIBD Cc1c(CNC(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)cccc1[N+](=O)[O-] 474690726 UVVDEAOWTDWJJP-OAHLLOKOSA-N 431.798 4.108 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@@H](C)c3ccccc3)cc2)cc1[N+](=O)[O-] 475316223 LSKZVPWPVVYZAH-INIZCTEOSA-N 439.493 4.446 5 20 IIBD COc1cc(CN(C)S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)ccc1SC 477184667 FHJODDDXOIRBLD-UHFFFAOYSA-N 430.935 4.108 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)C(=O)N1Cc2ccccc2C1 477554655 SYVDQDBKWCZXLW-MRXNPFEDSA-N 431.448 4.048 5 20 IIBD O=C(N[C@@H]1CCO[C@H]1c1ccc(O)nc1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 477691433 ILJCVYHLDHHMAU-CTNGQTDRSA-N 437.477 4.107 5 20 IIBD COCC1(CCNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)CCC1 478218868 DTXCZJGKNBKGBJ-UHFFFAOYSA-N 449.554 4.069 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 478425271 HMRQCSIHOZZNKO-QKKBWIMNSA-N 432.860 4.061 5 20 IIBD COc1c(F)cc(S(=O)(=O)Nc2cc3sc(C)nc3cc2Cl)cc1[N+](=O)[O-] 479279958 LEGBKJFRQDRLGK-UHFFFAOYSA-N 431.854 4.115 5 20 IIBD COc1cc(CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C2CC2)ccc1OC(F)F 479684385 AIGJXSRYNRTYBB-UHFFFAOYSA-N 431.395 4.491 5 20 IIBD Cc1c(CNC(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)cccc1[N+](=O)[O-] 480058175 MUKYJCOQTKZBOP-GOSISDBHSA-N 426.521 4.158 5 20 IIBD O=C(NCCOc1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 483471906 RXAVBIGXXYUIAU-UHFFFAOYSA-N 438.461 4.284 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N=c1nc(-c2ccccc2Cl)[nH]n1C 484872785 SIHPAEKSEYWCSB-UHFFFAOYSA-N 431.905 4.218 5 20 IIBD O=C(NC1CCCCC1)NC1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 485397312 UOGVJVKZHOTBQQ-UHFFFAOYSA-N 441.507 4.397 5 20 IIBD O=C(NCc1cnn(Cc2ccccc2)c1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 486352464 RDOYGIDKVRGABJ-UHFFFAOYSA-N 442.475 4.349 5 20 IIBD Cc1c(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)oc2c(Br)cccc12 486999498 QBCXJCLTJFUQTN-UHFFFAOYSA-N 433.262 4.086 5 20 IIBD O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 488513100 IXLCBHIHUCBMAT-UHFFFAOYSA-N 428.452 4.233 5 20 IIBD C[S@](=O)c1ccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1F 496015222 SOKWNZPMUGWGHR-NDEPHWFRSA-N 436.408 4.221 5 20 IIBD Cc1ccc(NC(=O)CSCC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 499469999 KMUXMTLLIIAZRO-UHFFFAOYSA-N 427.404 4.232 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 501727067 HLHRZTGUBFSRSD-UHFFFAOYSA-N 430.823 4.171 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N(CCO)Cc1ccc(Cl)c(Cl)c1 504018167 ZQFJGVVKSFZWQG-UHFFFAOYSA-N 448.100 4.299 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 505262572 VGYQWYVEOUTDPW-UHFFFAOYSA-N 446.301 4.157 5 20 IIBD Cc1cc(OCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c(Cl)cc1[N+](=O)[O-] 506539409 PXEIBMNPDATBRU-QGZVFWFLSA-N 446.887 4.460 5 20 IIBD Cc1ccc(-c2ccc(Cl)cc2NC(=O)C(=O)N(C)CCc2ccccc2[N+](=O)[O-])o1 506683320 QPLMYXVAQPOQNP-UHFFFAOYSA-N 441.871 4.456 5 20 IIBD COc1cc([C@H](C)NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])ccc1OC1CCCC1 507377097 CHGKDVJMDKEROP-HNNXBMFYSA-N 434.514 4.273 5 20 IIBD O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 508758971 XVXWYZZMJOEYRV-UHFFFAOYSA-N 443.931 4.327 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 509180205 ARUKVYNVCVVWNG-GOSISDBHSA-N 435.933 4.255 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1nc(-c2cccc(Cl)c2)cs1 509454746 WBNOZHSVKKALTE-UHFFFAOYSA-N 430.873 4.130 5 20 IIBD COc1ccc(-c2nnc(SCC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)o2)cc1 509699708 SAIROLMJDAADRR-UHFFFAOYSA-N 442.497 4.183 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NC[C@H](CC(C)C)N(C)C)cc1[N+](=O)[O-] 511062381 KAYSYOSIZVFZFJ-KRWDZBQOSA-N 443.569 4.254 5 20 IIBD Cc1ccc(NC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)cc1[N+](=O)[O-] 513077796 VJKXBELVCFUQAT-CQSZACIVSA-N 433.306 4.314 5 20 IIBD CC(C)n1ncc2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3C(=O)c3ccccc3)cnc21 514765411 JGQWTXHYTDYFSV-UHFFFAOYSA-N 429.436 4.404 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(C)c(NC(=O)C(C)(C)C)c2)cc([N+](=O)[O-])c1 518931098 ULYDCHAABZPVKX-UHFFFAOYSA-N 427.457 4.317 5 20 IIBD CCOC(=O)c1c(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)sc2c1CCSC2 520101106 YYNDJIFPUBMJRT-UHFFFAOYSA-N 445.522 4.216 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCC(N3CCCCC3)CC2)cc1[N+](=O)[O-])c1ccccn1 521801983 BUIFSYOTDVFDSC-GOSISDBHSA-N 437.544 4.253 5 20 IIBD CCCc1nnc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)s1 522887652 CNXMJBIQVAINJS-UHFFFAOYSA-N 427.273 4.144 5 20 IIBD COc1ccc(CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c2ccncc2)cc1 524835941 TWGTWHCJEFABCT-UHFFFAOYSA-N 432.480 4.446 5 20 IIBD O=C(c1ccccc1)c1ccc(NCc2cc(F)ccc2N2CCOCC2)c([N+](=O)[O-])c1 524848901 RDVBLEXSTNKFNH-UHFFFAOYSA-N 435.455 4.414 5 20 IIBD CCOc1ccc(-c2csc(NC(=O)c3cc(OC)c(OC)c([N+](=O)[O-])c3)n2)cc1 525560642 IFSFNNGEUJDZBY-UHFFFAOYSA-N 429.454 4.387 5 20 IIBD Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 534443760 JOYCRSUFLVRYJT-OAQYLSRUSA-N 435.528 4.450 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1=O 540782259 QLVHTLVDHJEXOX-IBGZPJMESA-N 427.526 4.018 5 20 IIBD CC(C)Cc1ccc(C(=O)C2CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)cc1 541280485 CHOKREZLRMNUPP-QFIPXVFZSA-N 440.540 4.128 5 20 IIBD C[C@@H](Sc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C)c1nc(-c2ccc(Cl)cc2)no1 545131726 IPMYWEOJVQTQLK-SNVBAGLBSA-N 443.872 4.398 5 20 IIBD CC(=O)NC1(c2noc(-c3ccc(N4C[C@@H](C)C[C@@H](C)C4)c([N+](=O)[O-])c3)n2)CCCCC1 545598713 LSZUVSMEEPTFMR-IYBDPMFKSA-N 441.532 4.423 5 20 IIBD NC(=O)c1ccc(SCc2nc(COc3ccc4ccccc4c3)no2)c([N+](=O)[O-])c1 546347168 SXYURVYVVYNNBG-UHFFFAOYSA-N 436.449 4.101 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1[N+](=O)[O-] 553016017 GQLSBBNYNINOOV-HUUCEWRRSA-N 434.480 4.366 5 20 IIBD CC(C)c1ccc(-n2cnnc2SCC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1 554056344 BHVGCTAPEBSODL-UHFFFAOYSA-N 439.541 4.443 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 555026899 RIROXIXFDBTAIQ-FQEVSTJZSA-N 438.871 4.050 5 20 IIBD COc1cc(C(=O)NC[C@@H](Cc2ccccc2)C(F)(F)F)c([N+](=O)[O-])cc1OC(F)F 558557078 IDEQAXUOKQPAOR-GFCCVEGCSA-N 448.344 4.356 5 20 IIBD CC[C@@H](CO)NC(=O)c1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 559225291 FZJMRXZOCISXFM-KRWDZBQOSA-N 425.510 4.436 5 20 IIBD COc1ccccc1O[C@@H]1CCCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 560790715 VWHCAXWWWHAWOX-GOEBONIOSA-N 434.876 4.094 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H](c1cncc(Br)c1)C1CC1 567297144 MYGOVNISIWXXML-MRXNPFEDSA-N 439.697 4.356 5 20 IIBD CC(=O)Nc1ccc(C)cc1NCc1cc(I)cc([N+](=O)[O-])c1 569538340 ZUZBYDAIWKOGBP-UHFFFAOYSA-N 425.226 4.078 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)N2CCc3nc(-c4ccccc4Cl)sc3C2)c1 571835464 XEKRFPYOIRIVPK-UHFFFAOYSA-N 435.914 4.119 5 20 IIBD CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)c1ccc(CC)c([N+](=O)[O-])c1 576044643 AZZOKSPRAXKBLF-HXUWFJFHSA-N 436.512 4.010 5 20 IIBD COc1cccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)N2CCCC2)c1 576175267 WFNKPJWCHLPIEL-LJQANCHMSA-N 437.418 4.189 5 20 IIBD COc1ccc([C@@H](Cc2ccccc2)NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1 580131492 SWQPWIFLBPIKSZ-OAQYLSRUSA-N 426.494 4.007 5 20 IIBD CN(Cc1ccc(Br)cc1F)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 600851884 IOTIIKFWBSBRPN-UHFFFAOYSA-N 436.281 4.369 5 20 IIBD COc1ccc(CNCCN2CCc3ccccc3C2)cc1OCc1ccc([N+](=O)[O-])cc1 603557429 ZNNQJHDXTBRHFS-UHFFFAOYSA-N 447.535 4.330 5 20 IIBD C[C@H]1CN(Cc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)cc2)C[C@@H](C)O1 603638176 GZEKZIJDLFJLGS-OKILXGFUSA-N 435.427 4.058 5 20 IIBD O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 603659866 PUGNLOYJOGBTCZ-NRFANRHFSA-N 439.903 4.001 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCCc3c(C)[nH]c4ccccc34)cc2)c(C)c1[N+](=O)[O-] 608882096 QYXYEUVWBYWAFT-UHFFFAOYSA-N 431.496 4.219 5 20 IIBD O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 609232837 IZQASKIMJWLQAO-UHFFFAOYSA-N 432.415 4.193 5 20 IIBD O=C(NC1CCN(Cc2cccnc2)CC1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 609648793 DQJSRKRVFFVFNY-UHFFFAOYSA-N 432.480 4.177 5 20 IIBD O=C(NCCCCSc1ccccc1Br)c1ccc([N+](=O)[O-])c(O)c1 609680689 VZTFUAUNVIUJJN-UHFFFAOYSA-N 425.304 4.365 5 20 IIBD COc1ccc(COCC(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)cc1 609817572 UEPRDNPZTCCARF-UHFFFAOYSA-N 448.435 4.204 5 20 IIBD CCCCN(CCO)C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 609817941 WDZYFMPXNHBFEB-UHFFFAOYSA-N 439.871 4.484 5 20 IIBD Cc1cccn2cc(COc3ccccc3C(=O)N3CCc4c3cccc4[N+](=O)[O-])nc12 609973454 RJNULUHMRWZKBD-UHFFFAOYSA-N 428.448 4.333 5 20 IIBD CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)CC2 611208215 PWJUQNMFHHUPRC-WOJBJXKFSA-N 434.558 4.022 5 20 IIBD Cc1cn(-c2cccc([N+](=O)[O-])c2)c(=O)n1Cc1ccc(Br)c2cccnc12 619571108 MFVMSBRVXSFTCN-UHFFFAOYSA-N 439.269 4.215 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@H](N4CCCC4)C3)n2Cc2cccs2)c1 619854179 ZESJOHZTBBRLKH-IBGZPJMESA-N 438.557 4.028 5 20 IIBD C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(OCc2cccnc2)cc1 725826620 GWJOBWKCVZWKMQ-CQSZACIVSA-N 447.900 4.262 5 20 IIBD O=C(c1cc(Cl)c(Cl)[nH]1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727398499 HSAJIBCNIWKFEG-UHFFFAOYSA-N 437.205 4.211 5 20 IIBD Cc1ccc2[nH]c(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4C(F)(F)F)CC3)cc2c1 727399794 XAOPYTBJRZVWKH-UHFFFAOYSA-N 432.402 4.366 5 20 IIBD O=C(NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cc(F)c(F)cc1[N+](=O)[O-] 727710651 VPTMLOOVPGIBQU-UHFFFAOYSA-N 426.301 4.008 5 20 IIBD COc1ccc(CC(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] 727885795 HCPZPOLIYLVXJB-SNVBAGLBSA-N 427.240 4.023 5 20 IIBD COc1ccc([C@@H](OC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[C@@H](C)n2cccn2)cc1 729805008 UYTYLSRZKNPJBY-ZHRRBRCNSA-N 447.451 4.145 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)ccc1Cl 731414339 WBJJPFAPDOWHAD-UHFFFAOYSA-N 445.259 4.086 5 20 IIBD O=C(CCOc1ccccc1-c1ccccc1)O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 731510955 NANVFAHQXPIEAS-HSZRJFAPSA-N 446.459 4.379 5 20 IIBD O=Cc1ccc(OCC(=O)Nc2ccc(OCc3cccc(F)c3)c(F)c2)c([N+](=O)[O-])c1 731631306 JODJJLQGRBHDTP-UHFFFAOYSA-N 442.374 4.282 5 20 IIBD COc1ccc(-c2nc(COC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])co2)cc1 735150002 LGBDAYUKROQYSI-UHFFFAOYSA-N 432.816 4.424 5 20 IIBD CCc1nc2ccccc2c(C(=O)OCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c1C 735334466 QVWHKNQKDVERSY-UHFFFAOYSA-N 435.436 4.169 5 20 IIBD O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc(OC2CCCC2)cc1 735340378 DXODAOWORLDKAU-UHFFFAOYSA-N 426.425 4.071 5 20 IIBD COc1ccc([C@@H]2[C@@H](COC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CCC(=O)N2C)cc1 735786401 XKPLBQGVRKUXHE-IVZQSRNASA-N 438.436 4.116 5 20 IIBD CN(C(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCCc2ccccc21 739522319 BCSBCOFLXXOHPT-GOSISDBHSA-N 447.285 4.050 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Br)Nc1ccc(C(F)(F)F)cc1 739549902 MNEKETPULIEGFN-UHFFFAOYSA-N 447.163 4.172 5 20 IIBD C[C@H](Nc1ccc(O[C@H]2CCOC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 739999361 KQOOBOFQXXZRJZ-LRDDRELGSA-N 439.390 4.220 5 20 IIBD CCc1ccc2c(COC(=O)c3ccc([N+](=O)[O-])cc3Br)cc(=O)oc2c1 740424090 YKHXKRLRAJXTGO-UHFFFAOYSA-N 432.226 4.383 5 20 IIBD Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1NC(=O)NC(C)(C)C 741050088 BKSJGWKFZNXQBJ-CQSZACIVSA-N 442.472 4.007 5 20 IIBD C[C@H](OC(=O)c1ccc(Br)c(F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 743063093 ZWCGYLRNVMXBPO-QMMMGPOBSA-N 445.628 4.334 5 20 IIBD CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)Cn1cc([N+](=O)[O-])nc1C 743608471 FVCKJVYQEMMIAS-UHFFFAOYSA-N 442.497 4.260 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)[C@H]1CCCN(c2ncnc3sccc23)C1 744161697 WHMMMGLYEIGWLU-LBPRGKRZSA-N 432.889 4.383 5 20 IIBD CCN(CC1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1)C(=O)OC(C)(C)C 744710885 KYIMXDAXXGTACK-UHFFFAOYSA-N 437.562 4.183 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)C2(c3cccc(C)c3)CCCC2)c([N+](=O)[O-])c1 744927572 BDFXBQZCFFLPRC-INIZCTEOSA-N 426.469 4.294 5 20 IIBD Cc1c(Br)cccc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 745521485 UFAGYDWQUOFZTB-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD C[C@@H](C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(Br)s1 745642034 FVRVJPXJTVYXIC-SECBINFHSA-N 438.259 4.316 5 20 IIBD CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)OCc1cc(Cl)ccc1[N+](=O)[O-] 746074503 DJWBXRQHESEPKQ-XOBRGWDASA-N 430.888 4.291 5 20 IIBD CC(C)(O)CN1CCN(C(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)CC1 746230169 TYTYEXMCXAPPKU-UHFFFAOYSA-N 442.559 4.462 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(Br)c(F)c2)c(C(F)(F)F)c1 746664824 JWGRDZPDUGPGAK-UHFFFAOYSA-N 444.156 4.283 5 20 IIBD O=C(CCc1ccc(Br)cc1)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 749031315 LDOLNFCKKVODDM-UHFFFAOYSA-N 448.317 4.145 5 20 IIBD COc1cc(CCC(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)ccc1OCC(F)(F)F 749786100 OLYOZFLTCBHHMP-UHFFFAOYSA-N 434.317 4.394 5 20 IIBD CCOC(=O)c1cc(Br)ccc1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] 750198374 PHELHVPWKWPUFC-UHFFFAOYSA-N 427.638 4.440 5 20 IIBD C[C@@H](C(=O)Nc1ccc(F)cc1F)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 750617216 SUCHMUTUSGDMKA-JTQLQIEISA-N 440.244 4.021 5 20 IIBD CCCC[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])C(=O)Nc1cccc(N2CCCC2)c1 751144865 ASGXFJKELXGFGJ-FQEVSTJZSA-N 442.491 4.261 5 20 IIBD Cc1ccc([C@@H](C)NS(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)cc1[N+](=O)[O-] 751987981 QBHSYQSQIJWEJP-CYBMUJFWSA-N 438.452 4.472 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@](C)(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 753587299 RPKZUCSCJJJFET-HSZRJFAPSA-N 432.565 4.190 5 20 IIBD CCn1c([C@@H]2CCCN2CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)nc2ccccc21 753917443 QZMKDPDIKZTHNJ-FQEVSTJZSA-N 425.464 4.269 5 20 IIBD CC(C)(C)C(=O)c1ccc(S(=O)(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cc1 754827626 OFQCXWLMBBYERJ-UHFFFAOYSA-N 428.470 4.015 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)Cc2c[nH]c3ncccc23)c2ccccc2)c([N+](=O)[O-])c1 757148136 GLIHROYXBSPMIJ-JOCHJYFZSA-N 444.447 4.245 5 20 IIBD C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F 762980059 NWBNKFGCGBTADD-GFCCVEGCSA-N 438.402 4.053 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1SCCO)C(=O)Nc1cccc2ccccc12 763742425 AVUMLODREFIPLT-CQSZACIVSA-N 440.477 4.016 5 20 IIBD Cc1nn(CN2CCC[C@@H]2c2cc(F)cc(Br)c2)c2ncc([N+](=O)[O-])cc12 767503594 PMQOXDZHJJGRPY-QGZVFWFLSA-N 434.269 4.344 5 20 IIBD CC(=O)[C@H](Cc1ccc(F)c(F)c1F)OC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 768643861 PJBBDAPQZLURPH-QFYYESIMSA-N 445.777 4.176 5 20 IIBD O=C(O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1ccc(N2CCCC2)c([N+](=O)[O-])c1 776134217 OOUKKAFKXNCQMW-QFIPXVFZSA-N 448.435 4.445 5 20 IIBD C[C@H](O)CN(C)Cc1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1 776522068 ZBEMALORPMVYTQ-NSHDSACASA-N 434.499 4.077 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@H]2CC(=O)c2cccs2)cc1[N+](=O)[O-] 778043367 ZLLGMKQGMYUVHA-LBPRGKRZSA-N 428.919 4.044 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 778264622 GAPGRMMPMUNXIN-SFHVURJKSA-N 443.504 4.067 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(O)(c2c(F)cccc2F)CC1 779249183 XDRVGPYRORLWPU-UHFFFAOYSA-N 442.871 4.129 5 20 IIBD O=C1CCCN1CC[C@@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)c2ccccc21 780778664 DUZNSPGKXZYSKM-MRXNPFEDSA-N 444.329 4.474 5 20 IIBD CN(C(=O)C(C)(C)C)c1ccc(OC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 781560575 GDENBMXCHDDNQB-UHFFFAOYSA-N 429.429 4.050 5 20 IIBD Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)OCc3ccc([N+](=O)[O-])c(F)c3)cc2)cc1 783040898 YVGYXPRVWKMMMQ-UHFFFAOYSA-N 443.452 4.373 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)Cc2ncc(C)s2)c2ccccc2)c([N+](=O)[O-])c1 787026784 PGZZFSOFZLXLRI-HXUWFJFHSA-N 425.466 4.134 5 20 IIBD C[C@H](OC(=O)c1cc2ccccc2n1CC(F)(F)F)C(=O)Nc1cccc([N+](=O)[O-])c1 787190144 DBLWQJIRWJPHFM-LBPRGKRZSA-N 435.358 4.296 5 20 IIBD Cc1c(Br)cc(C(=O)O[C@@H](c2ccccc2)c2ccnn2C)cc1[N+](=O)[O-] 788396405 KDZHYUNLCCNWHA-SFHVURJKSA-N 430.258 4.346 5 20 IIBD CC(C)(Oc1ccc(F)cc1)C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791244443 KRAYGTFTJZWFKH-UHFFFAOYSA-N 437.265 4.239 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)CC1 792182927 HFQVKRAOYGCDGL-UHFFFAOYSA-N 447.532 4.074 5 20 IIBD CN1C(=O)C[C@H](C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)[C@@H]1c1ccc(Cl)c(Cl)c1 792525499 OEQDYFDXOKJNQF-XYZCENFISA-N 444.221 4.338 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2Cc3ccccc3O[C@H](C)C2)c1=S 793778272 CLWXETHCPKPQLD-OAHLLOKOSA-N 425.514 4.250 5 20 IIBD O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)Nc1ccc(Cl)cc1F 795279056 NQEZNCXYNQQHBT-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD CO[C@@H]1CCC[C@@H](CC(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 796066239 PASVOEAUDYDYDG-JJRVBVJISA-N 447.513 4.184 5 20 IIBD CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 800212072 BOJYVSHNFQFVQK-WTKPLQERSA-N 436.295 4.080 5 20 IIBD Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCCCC(=O)N2CCCCC2)n1 805342682 VFUVSEMFJGPTLM-UHFFFAOYSA-N 449.554 4.460 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 807687953 DYXKTAFRQOSDCA-ZACQAIPSSA-N 431.286 4.002 5 20 IIBD CCN(C)C(=O)CSc1ccc([C@@H](C)OC(=O)c2cc(F)c([N+](=O)[O-])cc2F)cc1 809320207 HJNDVDQVXXTARX-GFCCVEGCSA-N 438.452 4.361 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2-c2nc([C@@H]3CC(=O)N(c4ccccc4)C3)no2)CC1 809413294 IFGOLGBKQJQGFG-QGZVFWFLSA-N 447.495 4.402 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC[C@@H]21 814152378 MCYIOHDIFMGMJV-LRDDRELGSA-N 443.422 4.085 5 20 IIBD Cc1cc(Cl)c(C(=O)OCC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] 815407496 WVDCGJHUPURUKU-NSHDSACASA-N 426.803 4.211 5 20 IIBD COc1ccc(CN(C)C(=O)[C@@H](C)Sc2nc3ccc([N+](=O)[O-])cc3s2)cc1F 827006992 XRIPHKBWYBSTTM-LLVKDONJSA-N 435.502 4.491 5 20 IIBD CCN1C(=S)N[C@@H](c2ccc3ncccc3c2)C(C(=O)Nc2cccc([N+](=O)[O-])c2)=C1C 839457589 VCTQMOTYNBWSAS-NRFANRHFSA-N 447.520 4.307 5 20 IIBD O=C1N[C@@H](c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)Nc2ccc(N3CCOCC3)cc21 877847576 CDFIZMRJVKPGBH-QHCPKHFHSA-N 446.463 4.078 5 20 IIBD Cc1nc(-c2cccc(NC(=O)[C@H]3CC(=O)N(c4ccc(F)c([N+](=O)[O-])c4)C3)c2)cs1 878880421 YURFOUAWKYNCIA-AWEZNQCLSA-N 440.456 4.157 5 20 IIBD CC(C)N1CCC(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 897804530 VCKZAQITDAKTJR-UHFFFAOYSA-N 444.919 4.103 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 915853418 XVGIAWOLVGVKMZ-UHFFFAOYSA-N 449.385 4.198 5 20 IIBD COc1ccccc1CCC(=O)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 918638892 WAAWTXCUWNFKAE-FQEVSTJZSA-N 440.496 4.164 5 20 IIBD C[C@@H](OC(=O)CCOc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(Cl)ccc1Cl 919491222 IJMHRSIJVPEUHG-LLVKDONJSA-N 427.240 4.241 5 20 IIBD C[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc(N2CCOC2=O)c1 920978328 VTRLEPLJZSRWQZ-LLVKDONJSA-N 436.371 4.036 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(OCC(F)(F)F)n1 1116830135 SEZJFMRDMIQKSU-UHFFFAOYSA-N 426.395 4.051 5 20 IIBD Cn1cc([C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)c2ccccc2)cn1 1320208883 NCFSINIKNRWIPW-KRWDZBQOSA-N 449.692 4.264 5 20 IIBD O=C(NC1CC1)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 1320984153 ZPMQENPCKSMPEC-INIZCTEOSA-N 431.558 4.008 5 20 IIBD Cn1c(-c2ccccc2Cl)nnc1N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 1324097414 YRSIUZCIODYPOG-UHFFFAOYSA-N 448.708 4.369 5 20 IIBD C[C@@H](Oc1ccc(C(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cn1)c1ccccc1 1324986332 DZVHRBYIGNSYFG-LJQANCHMSA-N 446.507 4.088 5 20 IIBD C/C(=C\c1cccs1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C2 1792534487 SNSNVRHNFCFWCB-LPDAWJOVSA-N 443.500 4.151 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(Cl)s1 1800519764 ALQYXOKFRRSZKG-BTTYYORXSA-N 437.880 4.014 5 20 IIBD Cc1c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CC3CC3)[nH]n2)cc(Cl)cc1[N+](=O)[O-] 1821291563 XYPPJILTOIAJKJ-KRWDZBQOSA-N 445.907 4.386 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)cc2F)CC1 1830092808 PSVSFVZHLBWLNW-GOSISDBHSA-N 447.438 4.013 5 20 IIBD CC1(C)CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)C1 1831927980 CEJKCAUBRIMATR-QFIPXVFZSA-N 441.572 4.193 5 20 IIBD Cc1cc(Br)ccc1NC(=O)COC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 10749510 BCYMTHDJMSVXFG-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD CCOC(=O)Nc1ccc2c(COC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1 10759206 NNUDYOXILUGWDL-BJMVGYQFSA-N 438.392 4.026 5 20 IIBD CCCCn1c(SCc2cccc([N+](=O)[O-])c2)nc2cc(S(=O)(=O)N(C)C)ccc21 12045807 MMZOTKOQSZUQIX-UHFFFAOYSA-N 448.570 4.287 5 20 IIBD C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 21233907 KAKXSXNBEVDZMB-CXAGYDPISA-N 440.843 4.381 5 20 IIBD C[C@H](Sc1nnc(C2CC2)n1Cc1ccco1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 21449866 BQDIWMQRZRNIHP-NSHDSACASA-N 447.904 4.478 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3nc4c(s3)CN(C)CC4)cc2[N+](=O)[O-])n1 23607023 UOIAJHLFHAQRRU-UHFFFAOYSA-N 447.567 4.208 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc(-c2cnc(C3CC3)o2)cc1 25932828 IKFAPIRHQKEBTP-UHFFFAOYSA-N 448.435 4.454 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NC[C@H]2COc3ccccc3C2)c([N+](=O)[O-])c1 29393115 ANWBNKCHKUWARX-INIZCTEOSA-N 446.459 4.276 5 20 IIBD Cc1cc(CNC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)ccc1Oc1ccc(F)cc1 60685849 ZDNYUFNQGBJAKB-UHFFFAOYSA-N 437.427 4.398 5 20 IIBD CN(Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 64447918 WCOQDVNHJBLOCX-UHFFFAOYSA-N 435.446 4.279 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 64785026 RAMBPYWFZZKVHX-JTQLQIEISA-N 426.256 4.009 5 20 IIBD CC1CCN(Cc2ccccc2CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 65058214 FSDGPBYKHOHCSA-UHFFFAOYSA-N 447.539 4.157 5 20 IIBD O=C(NCc1cccc(OCC(F)(F)F)c1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 71942919 NWAVTWPUWCAKNG-UHFFFAOYSA-N 435.305 4.459 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 117514640 NHKUUDWCSUFDKE-SFHVURJKSA-N 435.883 4.110 5 20 IIBD C[C@@H](Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 301089546 QPWSFBMQQHCSRJ-CQSZACIVSA-N 437.481 4.445 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1ccc(NC(=O)c2ccncc2)cc1 301305296 XWVOAEQCELBQAQ-HNNXBMFYSA-N 445.479 4.307 5 20 IIBD CN(CC1(c2ccc(Br)cc2)CC1)c1cc2ncnc(O)c2cc1[N+](=O)[O-] 301352272 LRUAPNVCOIODAC-UHFFFAOYSA-N 429.274 4.174 5 20 IIBD Cc1nc(Sc2nnc(-c3c[nH]c4ccccc34)n2C[C@H]2CCCO2)ccc1[N+](=O)[O-] 301614923 BDBXJAAVJFNVRM-CQSZACIVSA-N 436.497 4.368 5 20 IIBD COc1ccc(C(=O)COc2ccc(Br)cc2[N+](=O)[O-])cc1Br 321111209 QPDYYKWVXQPIMO-UHFFFAOYSA-N 445.063 4.390 5 20 IIBD O=C(c1cc(Br)c(F)cc1F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 428079964 XTJDSHXZQOKMNY-UHFFFAOYSA-N 441.228 4.319 5 20 IIBD CC(=O)N(c1nc(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)cs1)c1ccccc1F 428282022 OAUDZNGOWAGOGC-UHFFFAOYSA-N 438.444 4.182 5 20 IIBD C[C@@H]1CC(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)COc1ccccc1[N+](=O)[O-] 430440673 MTSZBVUGSMGQBE-GOSISDBHSA-N 445.475 4.332 5 20 IIBD O=C(Nc1ccccc1COc1ccccc1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 435515000 NUKOJEPOSATFGK-UHFFFAOYSA-N 445.431 4.080 5 20 IIBD Cc1c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnn1Cc1ccc(F)cc1 435669426 LXRQKTVHMVHDDL-UHFFFAOYSA-N 438.444 4.058 5 20 IIBD Cc1csc(-c2ccc(NC(=O)C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)cc2)n1 437062891 NZQHTHOOLISGBS-UHFFFAOYSA-N 436.493 4.156 5 20 IIBD COc1ccc(CN(Cc2ccccc2)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 437447410 DIRWURPJYSWVES-UHFFFAOYSA-N 433.464 4.079 5 20 IIBD Cc1c(CC(=O)N(C[C@@H]2CCN(Cc3ccccc3)C2)CC(F)(F)F)cccc1[N+](=O)[O-] 438925454 KRKDMCWVWBDWOV-LJQANCHMSA-N 449.473 4.359 5 20 IIBD Cc1c(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)cccc1C(=O)N1CCSCC1 438962665 GUIMEVZLDHQWHI-UHFFFAOYSA-N 427.526 4.468 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N[C@H]1CS(=O)(=O)c2ccccc21 439392064 JBPWZWOCHCKYGM-IBGZPJMESA-N 439.449 4.037 5 20 IIBD CN(C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(OCc2ccccc2)cc1 440569927 PIBHMCOLACKIIE-UHFFFAOYSA-N 434.448 4.151 5 20 IIBD O=C(NCc1nnc(C2CC2)n1C1CC1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 442894773 SMLMNFUMROMFFH-UHFFFAOYSA-N 435.509 4.480 5 20 IIBD Cc1ccc2oc(-c3nnc(NS(=O)(=O)c4cc([N+](=O)[O-])cc(C)c4C)o3)cc2c1 443153403 DCYNPBVGYIQKIS-UHFFFAOYSA-N 428.426 4.117 5 20 IIBD COc1cc(C(=O)Nc2c(F)cc(F)cc2F)c([N+](=O)[O-])cc1OCc1cscn1 443914166 DMRMXWTXWAPUGN-UHFFFAOYSA-N 439.371 4.309 5 20 IIBD C[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[C@H]1CCN(Cc2ccccc2)C1 444300807 JKDAOKVCGVGUPS-NQIIRXRSSA-N 425.532 4.322 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1c2c(nn1-c1ccccc1)CCC2 445739418 FPATUVMPUOYIDR-UHFFFAOYSA-N 441.285 4.213 5 20 IIBD COc1cc(C(=O)N[C@@H](C)c2cccc(N3CCCC3)c2)c([N+](=O)[O-])cc1OC(F)F 446497605 YWYKLXBCMBZNQH-ZDUSSCGKSA-N 435.427 4.296 5 20 IIBD C[C@H](c1ccccc1Br)N(C)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 446894580 OCUGLWLOHLBTSQ-LLVKDONJSA-N 432.278 4.136 5 20 IIBD O=C(N[C@@H]1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1)c1ccc2ccccc2c1 447186789 YWRJXDQBKHLRLE-HXUWFJFHSA-N 443.463 4.197 5 20 IIBD CC(C)CN1CCC[C@H](CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 448426883 VMZHUCDFSKCOLP-RTBURBONSA-N 439.560 4.261 5 20 IIBD O=C(NC[C@@H]1CCCCN(Cc2ccccc2)C1)c1ccc(Br)cc1[N+](=O)[O-] 461467158 MPPIVQVECRKBOA-KRWDZBQOSA-N 446.345 4.389 5 20 IIBD Cc1ccc(-c2nnc(N(Cc3cccc([N+](=O)[O-])c3)C3CC3)n2C[C@@H]2CCOC2)s1 461599260 NURABGVMANSXAP-KRWDZBQOSA-N 439.541 4.429 5 20 IIBD CCc1cc(=NC(=O)c2cc(NC(=O)N(C)C)ccc2Cl)c2cc([N+](=O)[O-])ccc2[nH]1 462629290 VKOLFBQTICMEAR-UHFFFAOYSA-N 441.875 4.127 5 20 IIBD CC(C)[C@@H](NC(=O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(F)cc1 464782630 YWXGSINEWDNFBT-HSZRJFAPSA-N 429.492 4.091 5 20 IIBD O=C1[C@@H](N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCN1c1ccc(C(F)(F)F)cc1 464784326 XBUQIOCZBOEXTM-FQEVSTJZSA-N 449.429 4.262 5 20 IIBD COc1cc(S(=O)(=O)Nc2nc3c(s2)C[C@H](c2ccccc2)CC3)ccc1[N+](=O)[O-] 469352273 NGEMNZBJEQAVFD-CQSZACIVSA-N 445.522 4.133 5 20 IIBD CC[C@@H](c1ccccc1)N(CC(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC 469363539 PEGZQCOGBZVUQO-IBGZPJMESA-N 434.514 4.179 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CCC(Cc3ccc(F)c(F)c3)CC2)cc([N+](=O)[O-])c1 469372352 ZLUFXNWESLBCED-UHFFFAOYSA-N 432.423 4.145 5 20 IIBD CCCN(CCC)C(=O)c1ccc(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1 470604732 BLODVFXHEPJRLH-UHFFFAOYSA-N 440.500 4.152 5 20 IIBD O=C(Cn1ccc([N+](=O)[O-])n1)N(Cc1ccccc1)c1nc2ccc(Cl)cc2s1 471362749 QKDHPCNYMZUSQG-UHFFFAOYSA-N 427.873 4.288 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc2cc(OC)ccc2n1C 471623346 AOUJVGUTRHDCDI-UHFFFAOYSA-N 428.514 4.312 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 472548366 DFFBOWFUDZIFJY-IBGZPJMESA-N 427.819 4.232 5 20 IIBD Cc1cc(Br)cc(C)c1CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 478417310 PGEMRQBDGAFGLK-UHFFFAOYSA-N 443.301 4.305 5 20 IIBD CCn1nc(C)c([N+](=O)[O-])c1NCCc1ccc(OCC(=O)Nc2cccc(C)c2)cc1 479368277 RDDLOBPWMUBDPH-UHFFFAOYSA-N 437.500 4.100 5 20 IIBD CC1(C)C[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c2ccc(F)cc2O1 482323261 YZGFNSKWPAJQDQ-SFHVURJKSA-N 427.476 4.369 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(CN3CCCCC3=O)c2)cc1SC 483590027 XZJXCJRYJWYARN-UHFFFAOYSA-N 429.498 4.090 5 20 IIBD Cc1ccc(-c2noc([C@H](C)N[C@@H](C)CC(=O)Nc3ccc([N+](=O)[O-])cc3)n2)cc1F 483653217 NPENDWCJYZQKRU-KBPBESRZSA-N 427.436 4.160 5 20 IIBD Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 483669460 PHWZHFNKLLLUFA-UHFFFAOYSA-N 436.512 4.284 5 20 IIBD COCCOC1CCC(C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])CC1 484206138 WPGCFOGKRXIMKW-UHFFFAOYSA-N 428.485 4.334 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OC(F)F)c3cccnc23)cc1OC 484399335 BBMDPNLWVLQTAU-UHFFFAOYSA-N 433.367 4.404 5 20 IIBD CCCCCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)c1nc(C)c(C(=O)OCC)s1 485721418 AMMVTIBXSSWEGH-UHFFFAOYSA-N 445.501 4.250 5 20 IIBD COc1cccc(O[C@@H](C)CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 485737585 XKKQIQRAMBTXOH-KRWDZBQOSA-N 436.464 4.380 5 20 IIBD COC(=O)c1cc(NC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)c(C)c([N+](=O)[O-])c1 485963903 GWVKXDNSECDHSR-UHFFFAOYSA-N 429.816 4.179 5 20 IIBD Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)C2)c1 486136404 STMGHTXQOIYDBH-HXUWFJFHSA-N 435.524 4.255 5 20 IIBD CC[C@@H]1CN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])[C@H](CC)CN1C(C)=O 486176836 MTUXLLFRZPJCLZ-WOJBJXKFSA-N 439.512 4.035 5 20 IIBD CSc1cccc(C(=O)N2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)c1[N+](=O)[O-] 486965339 IUNKOTQUPGLCRH-AZUAARDMSA-N 425.554 4.443 5 20 IIBD C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 487439911 BHRVDFFPDRMKLL-JLTOFOAXSA-N 426.860 4.036 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2ccc(F)cc2F)nnc1-c1ccc([N+](=O)[O-])cc1 489400351 HNXMQTWCWNGQNV-LLVKDONJSA-N 433.440 4.271 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(CN3CCSCC3)c2C)cc1OC 490088932 NBPYARBMEOCBAZ-UHFFFAOYSA-N 445.541 4.112 5 20 IIBD C[S@@](=O)c1ccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1F 496015216 SOKWNZPMUGWGHR-MUUNZHRXSA-N 436.408 4.221 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1 497814106 CKSCCFMRZRWOLJ-CQSZACIVSA-N 437.427 4.486 5 20 IIBD CCOc1ccc([C@@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])c2ccccc2)cc1 500655193 XHDUBODCEPOMGR-QHCPKHFHSA-N 440.521 4.245 5 20 IIBD C[C@@H](N[C@@H]1CCCC[C@H]1OC(F)F)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 502528512 LDPNURYMULNSNW-DJSGYFEHSA-N 440.472 4.185 5 20 IIBD NC(=O)CN(Cc1ccccc1)c1cccc(Nc2ccc([N+](=O)[O-])c3cnccc23)c1 505611554 LVPSVKNOSBKWTC-UHFFFAOYSA-N 427.464 4.379 5 20 IIBD COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)CNc3ccccc3[N+](=O)[O-])s2)cc1 505804702 DYLAALZGRCOQSL-CYBMUJFWSA-N 426.498 4.325 5 20 IIBD C[C@H](NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccc(NC(N)=O)cc1 507056480 YTBOQUDZIYIHBT-GJZGRUSLSA-N 448.483 4.145 5 20 IIBD CCNC(=O)c1ccc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 507405120 QJRCNTGGUZRAFL-OAHLLOKOSA-N 433.468 4.165 5 20 IIBD CC(C)N(C)C(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 509584000 LBFBYXRNCPNLFM-UHFFFAOYSA-N 446.312 4.183 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCC[C@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1SC 510196936 XTYKRKMKYZVPAU-WMZOPIPTSA-N 443.569 4.356 5 20 IIBD COc1cc(F)c([C@H](C)NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1OC 510719379 PZRMWYJODVQKMN-HNNXBMFYSA-N 445.491 4.478 5 20 IIBD CC(C)(NC(=O)C1CCN(c2ccc3cccc(O)c3n2)CC1)c1ccccc1[N+](=O)[O-] 514793766 QLDDVIUMFXKKSB-UHFFFAOYSA-N 434.496 4.117 5 20 IIBD CS(=O)(=O)c1cc(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)cc([N+](=O)[O-])c1 516336082 JUNMJXINLUGJRW-UHFFFAOYSA-N 438.889 4.225 5 20 IIBD O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)Nc1ccc([N+](=O)[O-])cc1Cl 516815834 KKSQLBLDXHMTNM-SNVBAGLBSA-N 434.663 4.116 5 20 IIBD O=[N+]([O-])c1cc2c(N3CCO[C@H](c4ccc(F)c(Br)c4)C3)ncnc2s1 521289799 NKTTYWYHMADSIT-ZDUSSCGKSA-N 439.266 4.079 5 20 IIBD CN(C)c1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1I 521835414 IWJMGTHWQHJCQO-UHFFFAOYSA-N 445.644 4.171 5 20 IIBD COc1cc2c(c(OC)c1OC)CCN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)CC2 534142078 IDSLGBYVXGXMAM-UHFFFAOYSA-N 435.480 4.288 5 20 IIBD O=C(Nc1nc2ccccc2n1CCc1ccccn1)c1c[nH]c2cccc([N+](=O)[O-])c12 535700842 YYDUHLOAKJROPL-UHFFFAOYSA-N 426.436 4.316 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(C[S@@](=O)Cc3ccn(-c4c(F)cccc4F)n3)co2)cc1 536307072 WJZBNZYYSDHBBK-HKBQPEDESA-N 444.419 4.163 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 536494170 QHXMZMKVYSXIBY-QRWLVFNGSA-N 434.899 4.222 5 20 IIBD O=C(CCc1cccc(OC2CCCC2)c1)NCCNc1ncnc2ccc([N+](=O)[O-])cc12 537729957 KAQXIHBYFMNDMS-UHFFFAOYSA-N 449.511 4.020 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CCC1CCN(c2ccncc2)CC1 537783239 AIOZQCURJUHMTB-MRXNPFEDSA-N 446.935 4.176 5 20 IIBD COc1cc([C@H](C)N[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc(OC)c1OC 540324424 QXEWGGAIOZDVIR-QWHCGFSZSA-N 428.445 4.082 5 20 IIBD COc1ccc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2C)cc1[N+](=O)[O-] 542001831 ZBSQJUMOUTVFEW-UHFFFAOYSA-N 431.246 4.112 5 20 IIBD COc1ccc2c(c1)C[C@@H](C)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]2C 542881066 LSEAEWROPQWADT-CHWSQXEVSA-N 448.317 4.312 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 543207182 ALSSLYYJUJXYBU-INIZCTEOSA-N 445.566 4.493 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCOCC4(CCOCC4)C3)cc2[N+](=O)[O-])cc1 543263841 UQIBLPIXGKMKOR-UHFFFAOYSA-N 442.537 4.324 5 20 IIBD O=[N+]([O-])c1cc(F)ccc1/C=C/c1nc(Cc2nc(O)c3c(C4CC4)csc3n2)no1 544960496 MPZNRUXULAABEW-GQCTYLIASA-N 439.428 4.466 5 20 IIBD O=C(c1ccc(Cl)s1)N1CCC(c2nc(Cc3ccccc3[N+](=O)[O-])no2)CC1 546243629 MSLPLJQXHYTBEA-UHFFFAOYSA-N 432.889 4.303 5 20 IIBD COc1ccc(Cc2noc(-c3ccn(-c4ccccc4[N+](=O)[O-])n3)n2)c(Cl)c1OC 546365164 KQZYICXBNHDHEJ-UHFFFAOYSA-N 441.831 4.092 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CC[C@@H](c4ccc(F)cc4)C3)n2C[C@H]2CCOC2)c1 550024033 XMMNCXRBUHHTMG-VQIMIIECSA-N 437.475 4.023 5 20 IIBD CCNc1ccc(C(=O)Nc2cc(C(=O)OC)c(Br)cc2C)cc1[N+](=O)[O-] 552757617 JNLMLYCYNBPVNP-UHFFFAOYSA-N 436.262 4.136 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CC[C@H](N4CCCC4)[C@H]3C)cc2[N+](=O)[O-])n1 553776608 ORJJTHJSFNDPEG-ZBFHGGJFSA-N 432.571 4.210 5 20 IIBD CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 559046511 VKLCDKQAGBNMFF-UHFFFAOYSA-N 449.433 4.334 5 20 IIBD Cc1ccc(C)c(-n2cnc3cc(-c4nc(-c5c([N+](=O)[O-])nc(C)n5C)no4)ccc32)c1 561921527 DSMISJKJTZGJFF-UHFFFAOYSA-N 429.440 4.309 5 20 IIBD C[C@H]1c2nnc(C3CCCC3)n2CCN1c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 563911341 RRERPLDGUNMLCU-INIZCTEOSA-N 434.500 4.399 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N[C@@H](CCCO)c1ccccc1 564463263 REKJUIRVWFCLGN-FQEVSTJZSA-N 441.509 4.321 5 20 IIBD COc1ccc([C@@H](C)NC(=O)Cc2noc(-c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)n2)cc1 577582069 ASWUHXDHUFLXAH-CQSZACIVSA-N 438.484 4.371 5 20 IIBD CC(C)(C(=O)NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)c1ccccc1[N+](=O)[O-] 581206697 BJZXJDKOQKNSPM-UHFFFAOYSA-N 448.401 4.344 5 20 IIBD C[C@H]1CN(C(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 583457153 QIFNCWATGVPBAE-HNNXBMFYSA-N 437.477 4.160 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCCc2ccc3c[nH]nc3c2)cc1[N+](=O)[O-])c1ccccn1 586831123 ARKUFCRHCSROHC-HNNXBMFYSA-N 430.468 4.012 5 20 IIBD O=C(CCCNC(=O)c1ccsc1)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 589251032 NWGHJLJVOLIBEA-UHFFFAOYSA-N 437.477 4.036 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 601905500 YYMQYSBWCNOJJD-ZDUSSCGKSA-N 442.884 4.363 5 20 IIBD C[C@@H]1CCCN(S(=O)(=O)c2ccc(CNc3ccc4cc([N+](=O)[O-])ccc4n3)cc2)C1 603869035 POHQOSZXUJFHGI-MRXNPFEDSA-N 440.525 4.176 5 20 IIBD O=C(Nc1ccccc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 604098013 MKADZLKYEFKWHV-UHFFFAOYSA-N 427.420 4.285 5 20 IIBD CCCN(CC(F)(F)F)C(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] 604387687 PIRWHODBDPAUDE-UHFFFAOYSA-N 433.408 4.053 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 604570429 SMCRROPSQGDKNC-UHFFFAOYSA-N 449.442 4.279 5 20 IIBD O=C(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 608869665 BBTPTIWBBZIOKJ-UHFFFAOYSA-N 445.401 4.063 5 20 IIBD CCc1noc(-c2ccc(CCNC(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)cc2)n1 609046507 GEWXVZUHETUJKQ-UHFFFAOYSA-N 447.398 4.173 5 20 IIBD Cc1ccc(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c(OCc2ccccc2)c1 609442352 JOYYUKZEFKHKGL-UHFFFAOYSA-N 429.436 4.315 5 20 IIBD O=C1COc2ccc([N+](=O)[O-])cc2N1Cc1nc(-c2ccc(-c3ccccc3)cc2)no1 609476317 XPKIHIZKLMPXJC-UHFFFAOYSA-N 428.404 4.237 5 20 IIBD C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 609917480 KXAFVLIWOITRRC-DGCLKSJQSA-N 443.294 4.063 5 20 IIBD CCOc1ccc(CCC2CCN(C(=O)c3cc(OC)c(OC)c([N+](=O)[O-])c3)CC2)cc1 610170990 XVVHCVMHNKTYFO-UHFFFAOYSA-N 442.512 4.496 5 20 IIBD COc1ccc(N(CC(C)C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 610956460 WAMPJXGVSVESCP-UHFFFAOYSA-N 432.420 4.474 5 20 IIBD CC(C)C(=O)NC[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 611202765 MPNATAJIHNPYRH-INIZCTEOSA-N 433.574 4.254 5 20 IIBD CC(C)(C)c1ccc([C@H](O)CCC(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 726870677 JTUNENXDOLMHQM-HXUWFJFHSA-N 429.469 4.316 5 20 IIBD C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)CCCO1 727324416 GNUBIIPZSVMBPI-IBGZPJMESA-N 437.540 4.305 5 20 IIBD O=C(CCc1ccccc1OC(F)(F)F)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 727554828 YPVFNNWULIKNDR-UHFFFAOYSA-N 437.330 4.219 5 20 IIBD O=C(COC(=O)C[C@H](c1ccccc1)C(F)(F)F)Nc1ccc(Cl)cc1[N+](=O)[O-] 728651959 DDBVNLPBYHDJLX-CYBMUJFWSA-N 430.766 4.466 5 20 IIBD C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)OCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 730634918 GUXJZNVGQQHJDC-GFCCVEGCSA-N 425.268 4.286 5 20 IIBD O=C(NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1C[C@@H]1c1cccc2ccccc12 730922872 MXBSRZCXTRDSJN-CVEARBPZSA-N 430.869 4.010 5 20 IIBD CC(C)OCc1c(C(=O)O[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)oc2ccccc12 731508720 ZTJFCTLICWTWMO-HXUWFJFHSA-N 438.436 4.228 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)O[C@@H](C)c2ccc(OC(F)F)cc2)ccc1[N+](=O)[O-] 734729358 MUNDOQVULKNUKM-IFXJQAMLSA-N 448.422 4.414 5 20 IIBD O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)OCc1ccc(Cl)cc1[N+](=O)[O-] 734886895 FIAXDEANJDYZRF-UHFFFAOYSA-N 447.900 4.032 5 20 IIBD O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(CS(=O)(=O)c2ccccc2)o1 734889371 ZHILMNDUOJDRSM-UHFFFAOYSA-N 435.841 4.172 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)OCC/C=C/c1ccc(Br)cc1 735333777 GLSHFDDXJGVCLQ-HNQUOIGGSA-N 447.285 4.124 5 20 IIBD Cc1ccccc1-c1nc(C(=O)OCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cs1 735350193 VIFCRJWWTNPVJW-UHFFFAOYSA-N 439.449 4.182 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)c1 735638711 ZIDNMZLEPFNAQR-UHFFFAOYSA-N 449.379 4.210 5 20 IIBD COc1cc(N2CCC(OC(=O)CCOc3cc(C)cc(C)c3)CC2)ccc1[N+](=O)[O-] 739386419 VJUPTLBBGNVRSS-UHFFFAOYSA-N 428.485 4.201 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1 740485510 FJSAQKCSTHLWAV-UHFFFAOYSA-N 434.537 4.351 5 20 IIBD C[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 742574861 VTLYTYQNCWSFNZ-OXQOHEQNSA-N 427.501 4.156 5 20 IIBD O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 743468253 JNFWTLFMFICGGH-UHFFFAOYSA-N 448.403 4.031 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N(c1cccc(O)c1)S(=O)(=O)c1ccccc1 744197720 SXWRSZLJLDYTCN-UHFFFAOYSA-N 438.417 4.082 5 20 IIBD C[C@@H](OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 744924074 DFRWIJYJUDANKP-MRVPVSSYSA-N 449.678 4.057 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H](c2ccccc2)C(C)(C)CO)CC1 747553319 TWWHNFRHSZTZOU-QFIPXVFZSA-N 439.556 4.363 5 20 IIBD Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)c(-c2nc(C3CC3)no2)c1 747620461 FTCRFVBDRSLNAL-UHFFFAOYSA-N 432.433 4.079 5 20 IIBD CCOc1ccc(NC(=O)[C@H](C)OC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 747962463 QJHWNENCTRRFOV-ZDUSSCGKSA-N 441.465 4.301 5 20 IIBD CCCCCCNC(=O)[C@@H]1CCCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 748318201 NIVIAEHPOYCIBR-SJLPKXTDSA-N 429.521 4.114 5 20 IIBD Cc1c(C(=O)N2CCCc3cc(Br)ccc32)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748627247 UQXTVEIZTFZMOW-UHFFFAOYSA-N 434.246 4.475 5 20 IIBD O=C(Oc1ccc(Oc2nccs2)cc1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 750764505 AZSXUWSFJIEEGE-AWEZNQCLSA-N 445.478 4.115 5 20 IIBD O=C(NCCc1ccc(N2CCCCC2)cc1)c1ccc(Br)cc1[N+](=O)[O-] 750987986 OLEPHZJJRCFRRA-UHFFFAOYSA-N 432.318 4.320 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCCCC[C@@H]1C[C@H](O)c1ccccc1 752114841 OCVUXYPUIZVZDQ-XXBNENTESA-N 434.496 4.289 5 20 IIBD COc1ccc(C(=O)N(Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)cc1[N+](=O)[O-] 752462400 AKXDYIAQIMNCBY-VWLOTQADSA-N 432.476 4.080 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(SC(=O)N(C)C)cc2)cc1[N+](=O)[O-] 753077140 DEQIVBQAMAUSLP-UHFFFAOYSA-N 429.907 4.131 5 20 IIBD O=C(/C=C/c1ccc(Cl)nc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 758098786 GIEKPSIFWAINJC-QHHAFSJGSA-N 440.809 4.024 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)[C@H](C)CC(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 759852217 LXYZLMDDNQGFQJ-TZMCWYRMSA-N 432.860 4.336 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@@H](c2nc(-c3ccc(Oc4ncccn4)cc3)no2)C1 761510600 LGKITWQNVAJXSS-GOSISDBHSA-N 430.380 4.093 5 20 IIBD COc1ccc(Br)cc1-c1noc(CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 761753885 AGGFRGXJKJWVMP-UHFFFAOYSA-N 449.217 4.109 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2cc3c4ccccc4n(C)c3s2)c([N+](=O)[O-])c1 762209856 YYDLNAZVUNFGJQ-UHFFFAOYSA-N 439.449 4.105 5 20 IIBD COC(=O)c1ccc(OC(=O)c2cc(C)nc(-c3ccc(Cl)cc3)n2)cc1[N+](=O)[O-] 763708830 QEIGUNIGOHAYEM-UHFFFAOYSA-N 427.800 4.019 5 20 IIBD CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c1 764166765 QMMNBTYWFMCHQY-UHFFFAOYSA-N 439.921 4.148 5 20 IIBD CCN(CC)C(=O)COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cc1Cl 764193357 SFFDIJAXQQXCTN-UHFFFAOYSA-N 440.283 4.401 5 20 IIBD C[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 764389319 XOIBLYYXQMSLON-AEFFLSMTSA-N 446.548 4.304 5 20 IIBD COc1ccc([C@@H](OC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)[C@H](C)n2cccn2)cc1 764622232 VKHBEEMEKGUGHA-AOMKIAJQSA-N 447.451 4.145 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 765588544 RGUNQDRMLXJTPS-BHIYHBOVSA-N 433.549 4.315 5 20 IIBD O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 768529832 GEQVHUNPFSFOQF-CQSZACIVSA-N 426.542 4.206 5 20 IIBD O=C(Cc1noc(COc2ccc([N+](=O)[O-])c(F)c2)n1)Nc1c(Cl)cccc1Cl 771033527 YDYFMCJOEBNZLD-UHFFFAOYSA-N 441.202 4.184 5 20 IIBD COCCCOc1ccc(Cl)cc1S(=O)(=O)Oc1cc(Cl)ccc1[N+](=O)[O-] 772502402 TVUUODMYLMDVTI-UHFFFAOYSA-N 436.269 4.085 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCc1ccc(OCC(F)(F)F)nc1 775029197 IZPVJBBYSVBYKU-SNVBAGLBSA-N 434.754 4.095 5 20 IIBD CSc1cccc(C(=O)N2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c1[N+](=O)[O-] 776905181 BHNLOJFIQFOWDT-BPUTZDHNSA-N 435.546 4.082 5 20 IIBD CC[C@@H](C)n1nc(C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)cc1C 777892669 ZIKFEXHXCXZYAB-CQSZACIVSA-N 426.477 4.172 5 20 IIBD O=[N+]([O-])c1cccc(N(Cc2ccc3c(c2)COC3)S(=O)(=O)c2ccc(F)c(F)c2)c1 778024003 MIMFNDODKGEUDB-UHFFFAOYSA-N 446.431 4.299 5 20 IIBD C[C@H](OC(=O)[C@H](F)Cc1ccccc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 778202904 IRTDKDLUPJFQMH-SUMWQHHRSA-N 443.456 4.169 5 20 IIBD C[C@@H](OC(=O)c1ccc(N)c(OC(F)(F)F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 778358758 ZYPAAQAIPZIANM-SECBINFHSA-N 438.318 4.044 5 20 IIBD Cn1ccnc1[C@@H](NCCc1ccc(Br)cc1F)c1cccc([N+](=O)[O-])c1 780765218 XGRBPHZJKQCJGU-SFHVURJKSA-N 433.281 4.152 5 20 IIBD CC(=O)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 781259547 GJKYTYQJTRCIIH-OAHLLOKOSA-N 428.444 4.068 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 782014349 WZBWQWBLFABDKC-DENIHFKCSA-N 441.484 4.331 5 20 IIBD CCOCN(C(=O)COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1c(C)cccc1CC 782032369 ZAVWQTHPYYQKNZ-UHFFFAOYSA-N 434.876 4.303 5 20 IIBD Cc1ccccc1-n1nc(C)c(CN(C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c1C 782481087 MIIRNPULTAIASE-UHFFFAOYSA-N 439.491 4.305 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 783333993 CTFUBEIPTPDFOB-GOSISDBHSA-N 445.262 4.141 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)NCC2(C)CCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] 784349464 DMRBRIPHNHSLKE-MRXNPFEDSA-N 434.537 4.301 5 20 IIBD COCc1ncsc1C(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 785746015 UWSWPIVICGHVQE-UHFFFAOYSA-N 447.856 4.323 5 20 IIBD Cc1cnc(CC(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)s1 787021765 CDJBEVIXNDEQFJ-LJQANCHMSA-N 445.884 4.479 5 20 IIBD C[C@@H](OC(=O)c1c2c(nc3ccccc13)CCC2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 788453453 FBCUZQVUVVTVCH-GFCCVEGCSA-N 439.855 4.469 5 20 IIBD C[C@@H](NC(=O)c1nc(Br)ccc1Br)c1cccc([N+](=O)[O-])c1 790365068 FFJNEYADXUGZRB-MRVPVSSYSA-N 429.068 4.006 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCC1(c2ccccc2Cl)CCOCC1 790661694 FCYLFARZSFWQBE-UHFFFAOYSA-N 441.286 4.448 5 20 IIBD CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@H](c1cccc(F)c1)c1cnn(C)c1 790897625 OMTKUFDPMLARTC-HXUWFJFHSA-N 434.830 4.050 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2ccc3cncn3c2)c2ccccc2)c([N+](=O)[O-])c1 792570189 DOLJNZYTWMEEBE-OAQYLSRUSA-N 430.420 4.088 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1C 796172060 JXEKDLQKVBAZJY-UHFFFAOYSA-N 443.456 4.354 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@H](OC(C)C)c3ccccc3)CC2)ccc1[N+](=O)[O-] 796911407 ZPFXTJGTJDGKBR-JOCHJYFZSA-N 428.485 4.282 5 20 IIBD COc1ccc([C@H]2[C@H](COC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])CCC(=O)N2C)cc1 796911850 LJNPLPOZNLURNF-JTSKRJEESA-N 440.496 4.034 5 20 IIBD CC(C)c1ccc(CN2CCC(O)(c3scnc3Br)CC2)cc1[N+](=O)[O-] 797603851 BXSBTGQIVCXDSV-UHFFFAOYSA-N 440.363 4.421 5 20 IIBD O=C(COC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1C(F)(F)F 798130502 VEXGNIHHGHYLHO-BAQGIRSFSA-N 428.750 4.462 5 20 IIBD CN(CCCN1CCCC1)C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 799026843 PBZWLEPUMVQNKL-UHFFFAOYSA-N 444.919 4.058 5 20 IIBD C[C@@H](C(=O)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1)c1cccc([N+](=O)[O-])c1 801251275 LIUFBGBRFJNFIE-CQSZACIVSA-N 438.402 4.107 5 20 IIBD C[C@@]1(C2CC2)NC(=O)N(c2ccc(CNc3ccc([N+](=O)[O-])c(OC(F)F)c3)cc2)C1=O 804703172 UJSLWJVFSBVPEG-NRFANRHFSA-N 446.410 4.033 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)c(Cl)cc1Cl 809810308 SLWOKNAIVXGCBE-SCLBCKFNSA-N 445.324 4.348 5 20 IIBD O=[N+]([O-])c1c(Cl)cc(Cl)cc1CSc1ccc(S(=O)(=O)N2CCCC2)cn1 809951424 BLIVIWNEKGAAIW-UHFFFAOYSA-N 448.353 4.373 5 20 IIBD O=C(COC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])Nc1ccc(Cl)c([N+](=O)[O-])c1 811373752 MIMJQJMNNKFUEJ-UHFFFAOYSA-N 448.602 4.259 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1CC(=O)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F 815225060 QXPBUDIIRWPJGH-UHFFFAOYSA-N 439.312 4.275 5 20 IIBD CN(C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)[C@H]1CC(C)(C)OC1=O 816728090 BGFUYPPRWORJEB-SFHVURJKSA-N 431.876 4.026 5 20 IIBD Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)O[C@H](C)C(=O)N2CCC(C)CC2)n1 849132722 RRYRWZUYBSUXOY-CQSZACIVSA-N 449.554 4.315 5 20 IIBD CC(C)(C)OC(=O)N1CCc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)sc2C1 861218028 SDGFTUKITDOMLF-UHFFFAOYSA-N 438.893 4.250 5 20 IIBD CC(C)[C@@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCOc2ccccc21 877053635 UQEVCQCGATYANB-QFBILLFUSA-N 432.860 4.070 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1-c1nc(-c2ccc(F)cc2)no1 904274768 MIVRTEIHRUUSMZ-UHFFFAOYSA-N 425.157 4.364 5 20 IIBD Cc1ccc(-c2nc(CC(=O)OCc3nc(-c4cccc([N+](=O)[O-])c4)no3)cs2)cc1 914800332 AHTRDJVTONXXJW-UHFFFAOYSA-N 436.449 4.363 5 20 IIBD C[C@H](OC(=O)[C@@H](C)Oc1ccc2c(c1)CCC2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 915486247 VIFOVDODUTWNBV-QWHCGFSZSA-N 432.860 4.075 5 20 IIBD COc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)cc1Br 917016059 HAMKUALZIPMNGC-NSHDSACASA-N 434.290 4.431 5 20 IIBD COc1ccc(COC(=O)CSc2ccccc2[N+](=O)[O-])c(Br)c1OC 917960843 UWOXCLWGTGUJKJ-UHFFFAOYSA-N 442.287 4.210 5 20 IIBD C[C@H](OC(=O)c1ccc(O[C@@H](C)c2ccccc2)nc1)C(=O)Nc1ccccc1[N+](=O)[O-] 919213636 GOXYHAZFNRTEMP-HOTGVXAUSA-N 435.436 4.314 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 919443128 KUHYMMRFSBBOAA-NSHDSACASA-N 427.240 4.159 5 20 IIBD O=C(CCCc1ccc(Cl)cc1)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 920147239 GGSDCIJISBISAY-UHFFFAOYSA-N 425.268 4.198 5 20 IIBD O=C(NC[C@H]1CCN(c2ccc(Cl)cc2)C1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 921169566 VYHAZOSVVAJPFN-QGZVFWFLSA-N 442.947 4.495 5 20 IIBD COc1cc(C(=O)N2CC(Cc3c(F)cccc3Cl)C2)c([N+](=O)[O-])cc1OC(F)F 1331722387 NGHWJUZYSGWAMA-UHFFFAOYSA-N 444.793 4.312 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(CCc3nc(-c4cc(Br)cs4)no3)o2)c1 1331838469 SANMRKMHLIGKJA-UHFFFAOYSA-N 448.258 4.304 5 20 IIBD CC(C)O[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)Cc3cccc([N+](=O)[O-])c3)CCC2)cc1 1789592657 SLBORERASHQILO-KRWDZBQOSA-N 439.512 4.085 5 20 IIBD Cc1nc(F)ccc1C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1 1789916159 HTVIYQMBFYZRDY-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)CC4CC4)CCC3)cc2)c([N+](=O)[O-])c1 1790571135 CAQRVEDTXRJMKV-UHFFFAOYSA-N 437.496 4.080 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)C3(F)CCC3)CCC2)cc1)c1cc(F)cc([N+](=O)[O-])c1 1790699457 ISHVWULOYLTCOO-UHFFFAOYSA-N 429.423 4.374 5 20 IIBD Cc1ccc(C)c(C(=O)N2CCC3(CCCN(C(=O)Cc4cccc([N+](=O)[O-])c4)C3)CC2)c1 1804752983 QKYQIKUOOQKNFN-UHFFFAOYSA-N 449.551 4.299 5 20 IIBD C/C=C(\C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CSc2ccccc2[N+](=O)[O-])[nH]n1 1821894998 AJKUMGQMRSUCOA-TYMUOXQOSA-N 443.529 4.069 5 20 IIBD Cc1ccc2c(COC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cc(=O)oc2c1 10722749 IMPKSBNZCDILPG-UHFFFAOYSA-N 425.440 4.313 5 20 IIBD C[C@H](OC(=O)CCC(=O)c1ccc2ccccc2c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 10975437 DDVUIKCDTFSOLC-AWEZNQCLSA-N 438.411 4.420 5 20 IIBD Cc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)n2)cc1C 14496605 VQDOFAQCHBPUHI-UHFFFAOYSA-N 438.509 4.424 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(Br)cc2)c([N+](=O)[O-])c1 15174975 JMJCJTNZCPCEIT-UHFFFAOYSA-N 429.292 4.180 5 20 IIBD Cc1cccc(-c2nc(CC(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cs2)c1 17229593 XXZUJJSEMWLKJU-UHFFFAOYSA-N 445.884 4.405 5 20 IIBD COc1cc(CNC(=O)COc2cc(C)ccc2[N+](=O)[O-])ccc1OCc1ccccc1 19352786 LYOBGNOTCHSOAE-UHFFFAOYSA-N 436.464 4.186 5 20 IIBD O=C(OCc1ccc(COC(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccccc1[N+](=O)[O-] 20597569 AWTIPURGHIOQHQ-UHFFFAOYSA-N 436.376 4.217 5 20 IIBD COc1ccc(NC(=O)CSc2nc3c(n2-c2ccccc2)CCCC3)c([N+](=O)[O-])c1 21671950 DPPQBSUGFPVPKR-UHFFFAOYSA-N 438.509 4.399 5 20 IIBD Cc1nc(-c2cccs2)c(CC(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])s1 22104281 VKYQJYRXJVLBEZ-NSHDSACASA-N 431.495 4.201 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1ccc(SC)cc1 27159827 OYDRYRPYWSRNHO-LIRRHRJNSA-N 447.582 4.046 5 20 IIBD C[C@@H]1CCCN(c2ccc(C(=O)NCCc3nccn3Cc3ccccc3)cc2[N+](=O)[O-])C1 27471254 ZTRCGOOJEIBONA-LJQANCHMSA-N 447.539 4.048 5 20 IIBD C[C@H](Cc1cccs1)NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 28411331 CMIYEQUDRQOWQL-CYBMUJFWSA-N 442.463 4.138 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1 33153352 OVFZELMNTVDFIX-UHFFFAOYSA-N 442.449 4.052 5 20 IIBD CCCCn1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O 36802003 KXXYMDYOTWNYIR-CQSZACIVSA-N 426.498 4.224 5 20 IIBD COc1ccc(-c2nc(C)c(C(=O)N3CCc4cc([N+](=O)[O-])ccc43)s2)cc1OC 57837303 MICHOXMWVZSQNM-UHFFFAOYSA-N 425.466 4.247 5 20 IIBD COc1ccc(CC(=O)NCc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)cc1 58025895 PFVWHKWNSVLMSH-UHFFFAOYSA-N 433.464 4.023 5 20 IIBD C[C@@H](NC(=O)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)c1ccc(Cl)c(Cl)c1 60826507 HLIFZCAKBKNEHZ-GFCCVEGCSA-N 447.278 4.003 5 20 IIBD CC(=O)Nc1cc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])ccc1Cl 63337438 LYLIUSPSANXDPB-UHFFFAOYSA-N 431.754 4.400 5 20 IIBD CC(C)(C)NC(=O)c1ccccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 108874541 WTDMVHCDEJPICU-UHFFFAOYSA-N 427.504 4.322 5 20 IIBD COc1cc(CNC[C@H]2CCCN(C(C)C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 237277386 PXGVYCFIGCVNPH-OAQYLSRUSA-N 427.545 4.392 5 20 IIBD O=C(Nc1ccc(OC2CCCC2)cc1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303446605 ISAICAMKHOISDJ-KRWDZBQOSA-N 429.498 4.221 5 20 IIBD CC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 303831573 ZVRRWNIUNWMQGR-NVXWUHKLSA-N 447.333 4.034 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC(N2CCc3ccccc32)CC1 409663179 IJJMHWADSVFRFT-UHFFFAOYSA-N 448.445 4.350 5 20 IIBD C[C@@H](O)CCN(C)C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 426483814 JXLAUPKZFXSXPZ-GFCCVEGCSA-N 425.844 4.092 5 20 IIBD C[C@@H](c1ccccc1)N1CCC(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 430598848 ULHXWEIMSFJLNQ-AWEZNQCLSA-N 432.318 4.313 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@@H]1c1nc2ccccc2s1 431570496 MYTSOHRNPYHOHB-QGZVFWFLSA-N 434.477 4.495 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)c3ccccc32)c2ncccc12 432307583 NOPHMWJFTXMNJX-CQSZACIVSA-N 437.399 4.388 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@H](Cc4ccc(Br)cc4)C3)o2)cc1 433297140 VKZURAASWMVWIN-OAHLLOKOSA-N 443.301 4.472 5 20 IIBD Cc1ccc(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)cc1 435510480 HHYBTVBVRGJRID-UHFFFAOYSA-N 427.507 4.371 5 20 IIBD COc1ccc(OCCSCc2csc(-c3ccc(C(N)=O)cc3)n2)c([N+](=O)[O-])c1 437254339 JZZBDPRDLNJFLW-UHFFFAOYSA-N 445.522 4.138 5 20 IIBD O=C(N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 437523190 HDMIVKSIKSSQBG-CZIWCDLHSA-N 430.386 4.475 5 20 IIBD COc1ccc(NC(=O)Cc2noc(/C=C\c3ccc(F)cc3[N+](=O)[O-])n2)cc1Cl 445366733 GEJRYZQXUTYYJJ-CLTKARDFSA-N 432.795 4.131 5 20 IIBD COc1ccc(-c2nc(Cc3nc(-c4ccc([N+](=O)[O-])s4)no3)cs2)cc1OC 445479984 XPKAZTBPIXFJEA-UHFFFAOYSA-N 430.467 4.438 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1 446484310 IKQPQQKIPZVLFN-UHFFFAOYSA-N 428.452 4.473 5 20 IIBD CCCCCc1ccc(NC(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)cc1 446510410 MDOWHTFRFQKXCC-UHFFFAOYSA-N 427.457 4.066 5 20 IIBD CCc1ccccc1NC(=O)CN(C)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] 447674913 IHARXXVSIJBWRC-UHFFFAOYSA-N 432.349 4.281 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCOc2c(F)ccc(F)c21 462398887 VJKBMOOTNLJTQE-CQSZACIVSA-N 427.201 4.198 5 20 IIBD COc1cc(CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc(Br)c1OC 463952842 UCUWFRMILFDOAM-UHFFFAOYSA-N 438.278 4.313 5 20 IIBD C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 465034893 KNRNKHPGPNEIMQ-NSHDSACASA-N 425.268 4.435 5 20 IIBD Cc1ccc(-c2csc(NC(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)n2)c(C)c1 465121969 OGOKSLDFACPNCD-UHFFFAOYSA-N 425.466 4.288 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccncc1OCC(F)(F)F 466682017 WAOBMSRQJVAJPB-UHFFFAOYSA-N 429.420 4.361 5 20 IIBD COc1ccc(C(=O)N(Cc2cccc(Br)c2)C2CCOCC2)cc1[N+](=O)[O-] 468152443 DISRBSWDQUIYKV-UHFFFAOYSA-N 449.301 4.187 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(N2CCC2=O)c1 468703044 HMYKXJZLUROXQB-UHFFFAOYSA-N 425.388 4.081 5 20 IIBD CC(C)(CNC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1ccc(C(F)(F)F)cc1 470312837 HRSKOMYIAOMDQB-UHFFFAOYSA-N 442.459 4.406 5 20 IIBD O=C(Nc1nnc(-c2cc3ccccc3o2)s1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 470385351 BUVROWKPKAJGOH-UHFFFAOYSA-N 432.421 4.298 5 20 IIBD COc1cc(C(=O)N2CCOc3ccc(C(F)(F)F)cc32)c([N+](=O)[O-])cc1OC(F)F 472909918 XGQHOPYLUUZEPN-UHFFFAOYSA-N 448.300 4.263 5 20 IIBD O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N1CCC(COc2ccccc2C(F)(F)F)CC1 478790807 WULPOZGAIUNCDM-UHFFFAOYSA-N 448.401 4.421 5 20 IIBD COC(=O)c1nc([C@H]2CCCN2c2ccc(Br)cc2[N+](=O)[O-])sc1C 480579036 OGJUXYDESVUDKJ-GFCCVEGCSA-N 426.292 4.250 5 20 IIBD CC(C)n1c([C@H]2CCCN2CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)nc2ccccc21 483104590 VVZXODPDILTLRH-OAQYLSRUSA-N 433.512 4.252 5 20 IIBD O=C(CN(Cc1c(F)cccc1F)C1CC1)Nc1ccc([N+](=O)[O-])cc1Br 484308027 IHMPDUBCJRZFDK-UHFFFAOYSA-N 440.244 4.239 5 20 IIBD CC(=O)Nc1ccc(F)c(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1 484409548 XASBHYLSIOLYKX-OKILXGFUSA-N 428.464 4.427 5 20 IIBD Cc1cc(F)c(NC(=O)NCc2cccc([N+](=O)[O-])c2C)c(I)c1 484455554 GGMGPSQBXVDDCU-UHFFFAOYSA-N 443.216 4.277 5 20 IIBD O=C(Nc1cccc(Cl)c1Br)N1CCN(c2ccccc2[N+](=O)[O-])CC1 485244813 SNTIUGCMPFTXKQ-UHFFFAOYSA-N 439.697 4.365 5 20 IIBD O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)nc1-c1ccc(F)cc1 485397564 AVNNHMQRPZCVFO-PZJWPPBQSA-N 436.487 4.091 5 20 IIBD C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 485774340 RLZJVNGWELSDIS-JTQLQIEISA-N 429.782 4.425 5 20 IIBD CCn1c(SCC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)nnc1-c1cccc(C)c1 488099682 XSAZIJKNJOZFQW-MRXNPFEDSA-N 439.541 4.460 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc(-c2cccc(F)c2)no1 489305156 MJKUBIMIPDFQGU-UHFFFAOYSA-N 430.461 4.462 5 20 IIBD COc1cc(CN[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])cc1OCC(F)F 493959130 ADGHLGSHUYPCOI-MGPUTAFESA-N 444.381 4.145 5 20 IIBD Cc1nc(-c2ccccc2)sc1CNC(=O)c1cc([N+](=O)[O-])ccc1SCCO 497859030 DTIWIRKTSRNAQV-UHFFFAOYSA-N 429.523 4.041 5 20 IIBD C[C@H]1C[C@H](C)CN(CCCCNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 498398875 QDFAAWOGTOOCJA-GJZGRUSLSA-N 431.455 4.024 5 20 IIBD COCCN(C(=O)[C@H](C)Oc1cccc(F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 498652748 DQHNSRPMLTVKEH-AWEZNQCLSA-N 445.472 4.304 5 20 IIBD Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 498748388 UDIMPYZBVPGZNE-FQEVSTJZSA-N 438.509 4.300 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C 498926728 FHBIOFDDARSEIS-UHFFFAOYSA-N 434.452 4.486 5 20 IIBD CCOc1cc(NC(=O)NCCc2nc3c(C)cccc3o2)c([N+](=O)[O-])cc1OCC 500397345 AOOYUAHDXVILKN-UHFFFAOYSA-N 428.445 4.206 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOC[C@H]1c1nc2ccccc2s1 500687988 YYBKMMPMTIMXMJ-APWZRJJASA-N 425.510 4.373 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC(CCCN(C)C)CC3)cc2[N+](=O)[O-])C1 501644473 LWFCZBJRSIBLOQ-RTBURBONSA-N 430.593 4.271 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 501751593 ZKNIEICEDITLGW-UHFFFAOYSA-N 436.443 4.105 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1 502622192 VJCZFZUGYYJOBT-UHFFFAOYSA-N 444.491 4.091 5 20 IIBD CCCOc1cc(NC(=O)c2cnc(-c3ncccn3)s2)c([N+](=O)[O-])cc1OCCC 503229445 GUBFTPJSYBOJKV-UHFFFAOYSA-N 443.485 4.338 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn23)C1 506128419 FMORBUAQJABBRM-AWEZNQCLSA-N 449.433 4.435 5 20 IIBD NC(=O)c1ccc(SCC(=O)NCC2(c3ccc(Cl)cc3)CCCC2)c([N+](=O)[O-])c1 508794862 MECFXDXFGIEALR-UHFFFAOYSA-N 447.944 4.067 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccccc2Sc2nccn2C)cc1[N+](=O)[O-] 509109717 DFCWBJRVIDMCHQ-UHFFFAOYSA-N 444.538 4.360 5 20 IIBD CCS[C@H]1CCCCN(C(=O)c2cc([N+](=O)[O-])cc(I)c2C)C1 509486410 MNUIBXBSOYQJSK-ZDUSSCGKSA-N 448.326 4.256 5 20 IIBD CCN1CCC[C@@H](CN(C)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 509602884 UKMMWHNVQNCHRV-IFXJQAMLSA-N 425.455 4.257 5 20 IIBD C[C@@H]1C[C@H](CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)CN1Cc1ccccc1 510147782 JHWRIQLOYDBGMM-WBVHZDCISA-N 446.345 4.388 5 20 IIBD CC[C@H](Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1 511387327 YHPJUTNRIMEOBE-IBGZPJMESA-N 439.493 4.036 5 20 IIBD Cc1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1S(=O)(=O)NC1CC1 512588703 YFCBALYFKHXNKS-UHFFFAOYSA-N 427.482 4.216 5 20 IIBD COc1ccc([C@@H](NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])c2ccc(F)cc2)cc1 512753865 MTNMTFZGXOJULC-QFIPXVFZSA-N 440.427 4.279 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CNc2ccc(F)c(C(=O)N(C)C)c2)cc1OC 513608594 LEGDDFQMNHKGJW-CQSZACIVSA-N 433.480 4.481 5 20 IIBD CC(C)Oc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)N(C)C)cc1 515325007 FBEKMLFJBHSJRI-HSZRJFAPSA-N 440.544 4.333 5 20 IIBD COc1cc([C@H](C)NC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)ccc1OCCC(C)C 516039284 AZJALTCVOCKOGD-INIZCTEOSA-N 443.500 4.153 5 20 IIBD CN1CCN([C@H](CNC(=O)c2cc3ccccc3c3cccnc23)c2cccs2)CC1 516381161 AGFIMRWMHKVWMS-JOCHJYFZSA-N 430.577 4.168 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3Cc4ccccc4OC(C)(C)C3)cc2)c(C)c1[N+](=O)[O-] 517789945 MCVWNQLQVQQLRU-UHFFFAOYSA-N 434.496 4.270 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCC3(O)CCC(C(C)(C)C)CC3)cc2)c(C)c1[N+](=O)[O-] 518985369 ARVBHDHXFBFLLZ-UHFFFAOYSA-N 442.560 4.154 5 20 IIBD COc1ccc(COc2cccc(F)c2)cc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 521144132 VISWNMVUDMIMGL-UHFFFAOYSA-N 436.399 4.450 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)cc1[N+](=O)[O-] 521201077 WILKASNSRAUPIB-UHFFFAOYSA-N 426.878 4.379 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3nc(-c4cccs4)no3)cc2[N+](=O)[O-])C1 521634977 HRZJKJRSOAQFOU-OKILXGFUSA-N 441.513 4.119 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 524626183 YSKDBVCDVMDNCF-UHFFFAOYSA-N 446.463 4.446 5 20 IIBD COc1ccc(OCCSc2nnc(NCc3ccc(F)cc3)s2)c([N+](=O)[O-])c1 525623387 ZNBJYKOUXLQETB-UHFFFAOYSA-N 436.490 4.377 5 20 IIBD COC(=O)[C@@H](c1ccccc1)N(C)C(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 525688847 XQMMFFPEZCGNSS-HYFFOGBASA-N 439.512 4.063 5 20 IIBD COc1ccccc1[C@@H]1CCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br 532955033 OPGNGNALVOQLKK-KRWDZBQOSA-N 434.290 4.142 5 20 IIBD Cc1ccc(-n2c(SCCn3cc([N+](=O)[O-])ccc3=O)nnc2-c2cccs2)cc1 534199565 KTADPENNAZVINF-UHFFFAOYSA-N 439.522 4.166 5 20 IIBD COC(=O)c1cc(C(=O)N2CCc3sc(-c4csc(C)n4)cc3C2)cc([N+](=O)[O-])c1 536819376 DCQCDDLWPUCZFU-UHFFFAOYSA-N 443.506 4.073 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 537432568 FVXKNAIFINGPLD-UHFFFAOYSA-N 443.525 4.212 5 20 IIBD O=[N+]([O-])c1cc(Br)cnc1N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 537560479 FFMMIMOAAKXLAJ-ZDUSSCGKSA-N 435.326 4.302 5 20 IIBD Cc1nn(-c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cc2)c(C)c1Br 537766990 BIMBAEXEAKZSNY-UHFFFAOYSA-N 431.246 4.118 5 20 IIBD COc1ccc(CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]2CCCC[C@H]2C)cc1OC 537854070 ORDJAPQEIDZGBF-OXQOHEQNSA-N 441.528 4.292 5 20 IIBD COc1cccc([C@@H](C)N[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 538128676 FGLKMVJFBPHLTC-KGLIPLIRSA-N 426.498 4.405 5 20 IIBD CN(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 538797017 JCWWMJJILRWTSN-GOSISDBHSA-N 432.885 4.469 5 20 IIBD CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 538902581 AAUCLJNZPKGQPE-DIFFPNOSSA-N 430.354 4.181 5 20 IIBD C[C@@H](NC[C@H](O)COc1ccc(Cl)cc1Br)c1cccc([N+](=O)[O-])c1 539281241 SGAOSFYFEGSNQH-ABAIWWIYSA-N 429.698 4.101 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1 540613726 MXGOVRZEEOSJMM-UHFFFAOYSA-N 448.401 4.193 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](c1ccccc1)N1CCC(F)(F)C1 540669648 MUNORSYVILRMOO-MRXNPFEDSA-N 440.244 4.378 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ccccc1Nc1ccc(F)cc1 540796935 CEUOMRBEIUIPEY-UHFFFAOYSA-N 442.834 4.499 5 20 IIBD Cc1cc(CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1I 540820815 ZZACIMNEARSANS-LBPRGKRZSA-N 439.253 4.068 5 20 IIBD O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 541263265 IIWDUDUJELHZKU-CQSZACIVSA-N 433.917 4.218 5 20 IIBD CC[C@@H](C)NC(=O)c1cccc(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1 541397811 CTGPEWWBQJTFGD-CYBMUJFWSA-N 435.933 4.185 5 20 IIBD CC[C@@H](C(=O)N1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1)c1ccccc1 541834959 UNNIVBZWBSRFQU-GOSISDBHSA-N 428.464 4.040 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 542564358 ZWBLGMGFNFHZIT-QAPCUYQASA-N 437.265 4.075 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C34CCC(CC3)C4)cc2)cc1[N+](=O)[O-] 543264630 SUNKDEICGQZALK-UHFFFAOYSA-N 429.498 4.223 5 20 IIBD NS(=O)(=O)c1cccc(Nc2cccc(Oc3ccnc4ccccc34)c2)c1[N+](=O)[O-] 543694890 HFEZDXOCHQRJIZ-UHFFFAOYSA-N 436.449 4.326 5 20 IIBD COc1cc(Br)ccc1CCC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 543855284 UBGMXSKGHKFHKY-UHFFFAOYSA-N 433.302 4.490 5 20 IIBD CC(=O)c1cc(Br)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 544217035 JNLLKCLBWLGMCE-UHFFFAOYSA-N 429.173 4.414 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3nc([C@@H]4CCCCS4)no3)cc2)c1 545107314 FFAUYUPEUWBIGP-KRWDZBQOSA-N 446.510 4.404 5 20 IIBD Cn1cnnc1Sc1ccc(-c2nc(-c3ccc(OC(F)F)cc3)no2)cc1[N+](=O)[O-] 545523962 AXIPLFDTBLRRBR-UHFFFAOYSA-N 446.395 4.193 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(CCc3nc4ccccc4o3)n2)c(Br)c1 546451367 APHQFWIAKFXWIJ-UHFFFAOYSA-N 429.230 4.258 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccc(F)cc1Br 546666166 OGTQRSYQPSSKMJ-JTQLQIEISA-N 427.226 4.301 5 20 IIBD O=c1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)cn1CCOc1ccccc1Cl 546936715 QHOUJVRGGKCGKN-UHFFFAOYSA-N 438.827 4.206 5 20 IIBD COCCOc1ccc(Cl)cc1-c1noc(C(F)(F)c2ccc([N+](=O)[O-])cc2)n1 547178104 FQPNYUAWPYWEPS-UHFFFAOYSA-N 425.775 4.464 5 20 IIBD CCC[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1cccc(C(F)(F)F)c1 549489842 PTTSHPWCPKNJOL-OAHLLOKOSA-N 439.390 4.218 5 20 IIBD O=C(NCc1ccc(-c2ccccc2)cc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 551544517 XDKNVMVTFIEGNQ-UHFFFAOYSA-N 427.819 4.309 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN[C@H](c3cncc(Br)c3)C3CC3)o2)cc1 551716821 SCIZDUSNRFXZAM-KRWDZBQOSA-N 430.262 4.043 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CCN(C2CCC2)C1 553862290 RANJNKKAOGQNRN-ROUUACIJSA-N 437.544 4.109 5 20 IIBD COc1c(-c2nc(Cc3c[nH]c4ccc(Br)cc34)no2)cccc1[N+](=O)[O-] 554808598 VWELLALHMKBEAH-UHFFFAOYSA-N 429.230 4.488 5 20 IIBD Cc1ccc(C(=O)NC2CCN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)CC2)s1 555624486 BUEPSVNKAIVRMG-UHFFFAOYSA-N 441.431 4.018 5 20 IIBD CC1(C)CC[C@@H](NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c2ccccc21 556516962 NMMQRBIBFBCHQK-QGZVFWFLSA-N 446.301 4.225 5 20 IIBD Cn1ccnc1[C@@H](N[C@H]1CCCN(c2ccccc2Cl)C1)c1ccc([N+](=O)[O-])cc1 556868506 WPZJOMUYPUPMHS-UWJYYQICSA-N 425.920 4.330 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc2nc(C(F)F)sc2c1 557148818 VBJOVUYGKKFOIG-UHFFFAOYSA-N 448.407 4.469 5 20 IIBD CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 557202985 IMKLSFAUWRILMM-CYBMUJFWSA-N 445.522 4.003 5 20 IIBD COc1ccccc1O[C@@H]1CCCN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1 560791110 ZUQIONHOLOYALK-OAHLLOKOSA-N 449.301 4.358 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3cccc(Cn4ccnc4)c3)n2)c(Br)c1 564720013 VZSPCVAIYXQMTQ-UHFFFAOYSA-N 440.257 4.243 5 20 IIBD Cc1cccc(-c2cnc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)s2)c1 578058539 PCACBHMHXXRPCV-AWEZNQCLSA-N 442.522 4.332 5 20 IIBD COCCOc1ccc(C(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)cc1 583959227 SGAYKVUIJHFZBV-UHFFFAOYSA-N 448.435 4.318 5 20 IIBD O=C(CCc1nnc(-c2ccsc2)o1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 602996623 VRTVUCTYTTVDLB-UHFFFAOYSA-N 427.467 4.401 5 20 IIBD COc1ccc([C@@H](CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)N2CCCCC2)cc1 604118935 BQGPCRFGXZARDI-HTAPYJJXSA-N 426.517 4.191 5 20 IIBD COc1cc(OCC(=O)Nc2ccc(Sc3nc(C)cc(C)n3)cc2)ccc1[N+](=O)[O-] 604456768 HBEXEMQJURUXBE-UHFFFAOYSA-N 440.481 4.179 5 20 IIBD Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1OCC(F)F 608849466 AERNCLMPOMVVNM-GOSISDBHSA-N 447.438 4.099 5 20 IIBD CCCCC(=O)N1CSC[C@@H]1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 609058263 IPLGTWKJSZJMBM-OAHLLOKOSA-N 434.543 4.057 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1c(C)cnn1[C@H]1CCCc2ccccc21 609321921 PXMPBQHTUDGFTK-IBGZPJMESA-N 426.498 4.135 5 20 IIBD CC(C)c1nc2cc(NS(=O)(=O)c3cc(Br)cc([N+](=O)[O-])c3)ccc2o1 609411089 WWSPUUPNVAKAQI-UHFFFAOYSA-N 440.275 4.423 5 20 IIBD O=C(Nc1cccc(CS(=O)(=O)c2ccccc2)c1)c1c(Cl)cccc1[N+](=O)[O-] 609505784 KOWLTHXFMKRYRG-UHFFFAOYSA-N 430.869 4.474 5 20 IIBD CCc1nn(C)c2n[nH]c(NC(=O)c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)c12 609668155 HSKAFSDTDKWDGX-UHFFFAOYSA-N 440.847 4.465 5 20 IIBD COc1cc(C(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)c([N+](=O)[O-])cc1OC(F)F 610068766 UFCXDEMJKBUYGZ-NSHDSACASA-N 433.367 4.351 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 610093163 XPYISSMXHFHNEE-UHFFFAOYSA-N 445.541 4.456 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)cc1 610398765 NJZSLORXZZLHGG-KZULUSFZSA-N 440.374 4.188 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC(Cc2ccc(C(F)(F)F)cc2)C1 610660214 JIOSRVXBMXTIDG-UHFFFAOYSA-N 430.386 4.114 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2nnc(Cc3ccccc3)s2)cc1[N+](=O)[O-] 611072414 MUOUQOAEZAKPDH-UHFFFAOYSA-N 433.287 4.360 5 20 IIBD CN(C)c1cccc(CNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n1 611108428 NYYXYKTWIWISRT-UHFFFAOYSA-N 428.496 4.198 5 20 IIBD O=C(c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@H](CO)C1 611157524 YWBKFUGARVBICV-LBPRGKRZSA-N 426.416 4.219 5 20 IIBD C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1ccc([N+](=O)[O-])cc1I 611549786 ZZUMABVGIBMFSV-RKDXNWHRSA-N 442.175 4.002 5 20 IIBD CCOc1cc(CN2CCOC[C@H]2c2c(C)nn(-c3ccccc3)c2C)ccc1[N+](=O)[O-] 617219567 YOKHWAYMGYXADV-QFIPXVFZSA-N 436.512 4.370 5 20 IIBD O=C(COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])N[C@@H](Cc1ccccc1)c1ccccc1 725936208 VPJZDNNWFHMUOF-FQEVSTJZSA-N 440.402 4.130 5 20 IIBD COc1c(Cl)cc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1Cl 726075609 KIIAGQQQLIJPBR-UHFFFAOYSA-N 425.272 4.264 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)OCc2cccc(OC(C)C)c2)ccc1[N+](=O)[O-] 726675885 WYOZXFHPFWFMGR-NRFANRHFSA-N 426.469 4.038 5 20 IIBD CCOc1ccccc1NC(=O)[C@H](OC(=O)c1cc(C)cc([N+](=O)[O-])c1N)c1ccccc1 727901147 SKVOWYBBKJOBEQ-JOCHJYFZSA-N 449.463 4.421 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])c(F)c1)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 728154707 OGJDIBPAVBATQG-NXEZZACHSA-N 429.231 4.463 5 20 IIBD CC(C)(C)OC(=O)N1CCC(n2cccc2C(=O)OCc2cccc([N+](=O)[O-])c2)CC1 731520368 GURVGBHWNDHWPX-UHFFFAOYSA-N 429.473 4.325 5 20 IIBD CC(C)(C)OC(=O)N1CCC(n2cccc2C(=O)OCc2ccccc2[N+](=O)[O-])CC1 731520380 HMEXLHYQGNUQPW-UHFFFAOYSA-N 429.473 4.325 5 20 IIBD CCCOc1cc(NC(=O)c2nc(C)n(-c3ccccc3)n2)c([N+](=O)[O-])cc1OCCC 731571574 FOCMCZBMPAXMFD-UHFFFAOYSA-N 439.472 4.314 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1cccc(COc2ccccc2)c1 731614273 RODAHIUXRKVFEV-UHFFFAOYSA-N 436.420 4.012 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] 731831284 FKOWRFWTGUKBAO-IBGZPJMESA-N 433.848 4.051 5 20 IIBD O=C(NCCc1nc(-c2ccccn2)cs1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 731880713 WZDWJECTKVGSRI-UHFFFAOYSA-N 437.525 4.076 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C)cc2[N+](=O)[O-])C1 732010105 OAPYAQHNQCAPFW-BBWFWOEESA-N 448.564 4.062 5 20 IIBD Cc1ccc(-n2cnnc2SCC(=O)OCc2cc([N+](=O)[O-])ccc2Cl)cc1C 734782053 LWVQDAPEIAQGNI-UHFFFAOYSA-N 432.889 4.281 5 20 IIBD CC(C)OC(=O)NCc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 735023729 SWATXXHBFZODRK-UHFFFAOYSA-N 440.500 4.472 5 20 IIBD CN1C(=O)C[C@@H](COC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H]1c1cccc(Cl)c1 737391510 ZXVRUMOTNXULLH-XOBRGWDASA-N 427.844 4.106 5 20 IIBD COc1ccc(CSCC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 741741031 RYEZFXZTZDKMFM-LJQANCHMSA-N 449.510 4.019 5 20 IIBD C[C@H](OC(=O)[C@@H]1SCCc2sccc21)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 745635307 HBKWFNRUCGPHEL-BJOHPYRUSA-N 426.903 4.211 5 20 IIBD Cc1nn(Cc2ccc(C(=O)OCc3cc(Cl)ccc3[N+](=O)[O-])cc2)c(C)c1[N+](=O)[O-] 746067138 NUYOGWWFOBHVLW-UHFFFAOYSA-N 444.831 4.375 5 20 IIBD C[C@@H](OC(=O)c1csc(C2CC2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 747505448 ODHHKQTUAPAONI-MRVPVSSYSA-N 429.376 4.132 5 20 IIBD Cc1ccc(C(=O)C2CCN(C(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)CC2)c(C)c1 748711918 ZOOOBMATAIPPSY-UHFFFAOYSA-N 439.468 4.472 5 20 IIBD C[C@@H](OC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 750400892 QAHUQCMZVOTZPO-FZKQIMNGSA-N 447.285 4.266 5 20 IIBD CC(C)[C@H](OC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)Nc1ccccc1F 750966182 QVAHKAWPYOEAFZ-INIZCTEOSA-N 439.237 4.317 5 20 IIBD C/C(=C/C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccccc1OC(F)F 753544686 VIMAOXBRRYYQIU-XMXAVACDSA-N 434.395 4.478 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccnc2-c2ccccc2)cc1Br 754766241 XSBXNRYSRYSZDH-UHFFFAOYSA-N 434.271 4.220 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NCc1nccn1CCCc1ccccc1 756950806 DDZRIKQJMNEECF-UHFFFAOYSA-N 427.892 4.077 5 20 IIBD CS(=O)(=O)C1(c2nc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)no2)CCCC1 761858369 WZJMBRVTIJRDFW-UHFFFAOYSA-N 429.454 4.251 5 20 IIBD CN1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@H]1c1ccc(Cl)c(F)c1 762724767 CKFPXBNBXWZTIF-KZULUSFZSA-N 426.275 4.464 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 762968929 SWDFVYPIMLPKHK-MSOLQXFVSA-N 442.516 4.470 5 20 IIBD O=C(Nc1cnc(Br)c(Br)c1)c1cc(F)c([N+](=O)[O-])cc1F 763509245 PCJPJRWNFACYEA-UHFFFAOYSA-N 436.994 4.045 5 20 IIBD COc1ccc(CC(=O)O[C@H](C)c2nc3cc(C(F)(F)F)ccc3n2C)cc1[N+](=O)[O-] 764537092 XJVZCJMCNWNUBG-LLVKDONJSA-N 437.374 4.356 5 20 IIBD CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 765044040 QCCYPVIDMCCZBQ-QGZVFWFLSA-N 428.489 4.014 5 20 IIBD COc1ccccc1[C@H](CNC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CCCCC1 765143848 BXGFURJRERNGRV-DEOSSOPVSA-N 438.572 4.389 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCC(c3ccc(F)cc3)CC2)ccc1Br 765208730 YSBGRBURQOGWOO-UHFFFAOYSA-N 443.294 4.065 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])c2cccnc12 766226047 ZEGQYKWCGWVYFB-GFCCVEGCSA-N 443.843 4.297 5 20 IIBD Cc1nn(Cc2ccc(C(=O)OC[C@H]3CCO[C@@H]3c3ccccc3)cc2)c(C)c1[N+](=O)[O-] 769343560 GGCBYIOAYYWXGY-FYYLOGMGSA-N 435.480 4.391 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 769899871 MSNYMFUMQFGRMM-UHFFFAOYSA-N 440.749 4.062 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc2nc(C(F)(F)F)cn2c1 770007170 JUKAOODJVSLQBG-UHFFFAOYSA-N 429.152 4.276 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2[C@H]3CCC[C@H]2CC(NC(=O)OC(C)(C)C)C3)c1 770636669 HYDHJVHBDTXBTM-GJZGRUSLSA-N 435.546 4.367 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 772145186 VYSFVMTXWYZBMY-UHFFFAOYSA-N 449.250 4.191 5 20 IIBD CC(C)(C)OC(=O)N1CCc2ncc(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)cc2C1 774013742 STKADIWAPCESES-UHFFFAOYSA-N 437.456 4.017 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CCc2cc(Br)cc(F)c2C1 774708337 TYIBQFOWVOGHTB-UHFFFAOYSA-N 436.237 4.016 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(Cn2ccnc2[C@@H](O)c2ccccc2)cc1OC 777523463 NNGUINFKEDCDPD-AOMKIAJQSA-N 425.485 4.355 5 20 IIBD CCN(C(=O)c1cc([N+](=O)[O-])ccc1I)[C@@H](C)Cc1ccsc1 778226321 OYEVQDUPWKLGDH-NSHDSACASA-N 444.294 4.354 5 20 IIBD COc1nn(C)c2nc(C)c(CCC(=O)O[C@@H](C)c3cc([N+](=O)[O-])ccc3C)c(C)c12 778772522 QGYKIZBAFLVZMS-HNNXBMFYSA-N 426.473 4.047 5 20 IIBD C[C@H](OC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 780072714 SXBVZXJPHCQXSJ-ZETCQYMHSA-N 433.631 4.445 5 20 IIBD O=[N+]([O-])c1ccc(I)c(Oc2nc3ccccc3cc2[N+](=O)[O-])c1 788863391 RZGFWGAOOXUBHB-UHFFFAOYSA-N 437.149 4.448 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC2)CC1 791037764 HTJDGEHQAQQNSH-UHFFFAOYSA-N 431.533 4.167 5 20 IIBD O=C(c1cc(-c2cccs2)on1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791174197 IVATUMPPFQVJMQ-UHFFFAOYSA-N 434.271 4.272 5 20 IIBD CN(C)c1noc(CNC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)n1 793849248 DQKZJZUJHHJCLA-UHFFFAOYSA-N 426.476 4.312 5 20 IIBD CCOC(=O)/C(=C/c1cnn(-c2ccc(Br)cc2)c1)c1ccc([N+](=O)[O-])cn1 794947840 AIAZCUWXZBNOJV-RQZCQDPDSA-N 443.257 4.042 5 20 IIBD CCOC(=O)c1csc([C@H]2CCCN2c2ccc([N+](=O)[O-])cc2Br)n1 795173459 OUKBZVLQVKPNHF-CQSZACIVSA-N 426.292 4.332 5 20 IIBD Cc1cc(OCC(=O)Oc2ccc(OCc3nc(C(C)(C)C)no3)cc2)ccc1[N+](=O)[O-] 797458053 UFUKUUCIJMWAQU-UHFFFAOYSA-N 441.440 4.147 5 20 IIBD COc1cc([N+](=O)[O-])ccc1COC(=O)c1ccccc1N(C)C(=O)c1cccs1 797472489 JPRMOEZQQXQFKF-UHFFFAOYSA-N 426.450 4.299 5 20 IIBD Cn1cc(CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)Cc2ccc(Cl)cc2)cn1 797527207 DKZCDIRYPBTZOB-UHFFFAOYSA-N 445.882 4.152 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl 800596093 QOIZTIPOHIZGIH-QMMMGPOBSA-N 432.210 4.304 5 20 IIBD CS(=O)(=O)c1cc(COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc(C(F)(F)F)c1 802259371 RMMGKYHQYQWFSS-UHFFFAOYSA-N 437.779 4.028 5 20 IIBD CC(C)(C)OC(=O)N1CCC(c2csc(NC(=O)c3cccc([N+](=O)[O-])c3)n2)CC1 807883589 MRGYVKWHVHBMMJ-UHFFFAOYSA-N 432.502 4.418 5 20 IIBD CCN(Cc1ccccc1)C(=O)Cc1noc(-c2cc([N+](=O)[O-])ccc2N2CCCCC2)n1 809486744 BDBGDVQJYGNLQO-UHFFFAOYSA-N 449.511 4.226 5 20 IIBD CN([C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F 809830837 GEWUYVRXFMWBMG-CXAGYDPISA-N 446.859 4.067 5 20 IIBD C[C@H](OC(=O)[C@@H]1CCN(c2ccccc2Cl)C1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 811417268 RRHVGHIWFGDBFA-DZGCQCFKSA-N 442.859 4.429 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC[C@@H]21 814152382 MCYIOHDIFMGMJV-WBMJQRKESA-N 443.422 4.085 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])OCc1nnc(-c2cc3c(s2)CCCC3)o1 842053581 WHVSMJRTRAYDIG-UHFFFAOYSA-N 428.470 4.131 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 856840700 SWZFTOPSMNWYKS-UHFFFAOYSA-N 446.503 4.148 5 20 IIBD CC(C)[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)N[C@H]1CCCC[C@@H]1C 878473298 XJUSYNPVKWFAMR-JCWFFFCVSA-N 448.563 4.417 5 20 IIBD O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 915307544 IARFNNJRDBJRSA-SFHVURJKSA-N 439.299 4.097 5 20 IIBD Cc1ccc(CNC(=O)c2cccc(CNC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2)cc1 916067966 GSPOVBSSPJANPJ-UHFFFAOYSA-N 437.883 4.417 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 916408692 UMWXIKQNBYSKSQ-UHFFFAOYSA-N 442.686 4.153 5 20 IIBD Cc1cc(O[C@@H](C)C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1Cl 919472381 XGHVLHPWJKULSQ-NSHDSACASA-N 427.240 4.159 5 20 IIBD CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)OC1CCC(C(C)(C)C)CC1 920124021 NHYHVERYDKFPCF-NRXISQOPSA-N 426.535 4.187 5 20 IIBD C[C@@H](OC(=O)CNc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1Cc1ccccc1 920603212 OWRVJONCPAWSKM-QGZVFWFLSA-N 433.464 4.168 5 20 IIBD C[C@H](OC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1c1cccs1 924160072 BNNKHVVCKOFVQB-JJRVBVJISA-N 434.539 4.432 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(OC)c2Br)cc1SC 1116629301 DPZYEKKKAGMVIA-UHFFFAOYSA-N 427.276 4.349 5 20 IIBD O=C(CCCCc1nc2ccccc2s1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1322201077 YQKUAASRRIDBCU-UHFFFAOYSA-N 438.553 4.262 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1338571549 QMQDVAUCDZXDNG-UHFFFAOYSA-N 448.520 4.248 5 20 IIBD O=C(NCC(F)(F)F)c1ccc(NCc2ccc([N+](=O)[O-])cc2Br)cc1 1342917070 SJQBKULUHDTCAM-UHFFFAOYSA-N 432.196 4.262 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)[C@H]3CCCS3)CCC2)cc1 1785795162 XZMSHIHTPXDGGH-HXUWFJFHSA-N 439.537 4.167 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)CCc4cccc([N+](=O)[O-])c4)CCC3)cc2)no1 1787463815 SJGOCUVUPMSPOC-UHFFFAOYSA-N 448.479 4.272 5 20 IIBD O=C(Cc1cc(F)ccc1[N+](=O)[O-])Nc1ccc(C2(NC(=O)c3ccc[nH]3)CCC2)cc1 1792308746 HZJOCRWXRQDEOE-UHFFFAOYSA-N 436.443 4.052 5 20 IIBD CCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)[nH]n1 1821934753 FIPUNFHADRMOME-XAVKZTDYSA-N 429.477 4.053 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(C)C)CC2 1823699141 KBGXTKYLUAMZGR-ZDUSSCGKSA-N 448.520 4.161 5 20 IIBD C[C@H](OC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C(=O)NC1CCCCC1 5972759 AEAFMNWUHJRRAS-INIZCTEOSA-N 425.485 4.201 5 20 IIBD COc1cc(CCNC(=O)CCc2ccc(-c3ccccc3F)o2)c([N+](=O)[O-])cc1OC 11082031 PYACWBOPUZNRCV-UHFFFAOYSA-N 442.443 4.303 5 20 IIBD COc1cccc(NC(=O)[C@H](OC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c2ccccc2)c1 11341826 KEQHMNNAKXZOOP-OAQYLSRUSA-N 436.420 4.149 5 20 IIBD COc1ccc(C(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 11342212 WZDWRYNCLARLBA-WDEREUQCSA-N 441.267 4.333 5 20 IIBD O=C(OCc1c(F)c(F)c(F)c(F)c1F)c1ccc(Br)c([N+](=O)[O-])c1 12090515 LSCJKBDSSNZFBD-UHFFFAOYSA-N 426.091 4.410 5 20 IIBD CNc1ccc(C(=O)O[C@H](C)C(=O)N(c2nccs2)C2CCCCC2)cc1[N+](=O)[O-] 14047480 OFJNBKUZNGZFKI-CYBMUJFWSA-N 432.502 4.004 5 20 IIBD CC1CCN(Cc2csc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)CC1 14526865 RETKFEFQMFLFGZ-UHFFFAOYSA-N 429.546 4.136 5 20 IIBD C[C@@H](Sc1nnc(COc2ccccc2Cl)n1C)C(=O)Nc1ccccc1[N+](=O)[O-] 25043393 ANONBXXBIFQFCE-GFCCVEGCSA-N 447.904 4.075 5 20 IIBD COc1cc(CN2CCC[C@H](C(=O)Nc3ccccc3)C2)c([N+](=O)[O-])cc1OC(F)F 27573879 QAJDMUHDPDIRMU-AWEZNQCLSA-N 435.427 4.056 5 20 IIBD O=C(NCc1cn2ccccc2n1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 28833117 HXSXQPYQNPLTKI-UHFFFAOYSA-N 435.871 4.438 5 20 IIBD CSc1ccc(-c2csc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 29299795 QYMFOPDPQZFYSS-UHFFFAOYSA-N 442.522 4.199 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 59769467 SYWCXRLMJXMIRB-MRXNPFEDSA-N 439.493 4.195 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(CNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C[C@@H](C)O1 60082426 XIZODAFMRVUNDN-ZIAGYGMSSA-N 437.418 4.475 5 20 IIBD Cc1cc(N2CCC[C@@H](c3nnc4n3CCCCC4)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 60858645 ONDYPCNQUWMKNB-GOSISDBHSA-N 433.516 4.062 5 20 IIBD COc1ccc(C2(CNC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)CCCCC2)cc1 63082969 RSBNIYCDAGPKNI-UHFFFAOYSA-N 426.469 4.007 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)N(C)CCC(C)C)cc([N+](=O)[O-])c1C 64301335 JYOXZOBHSDNMAX-UHFFFAOYSA-N 433.530 4.131 5 20 IIBD Cn1cc(C(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 65104307 NDUCXEVEYISYSZ-UHFFFAOYSA-N 442.479 4.447 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCO[C@H](c2ccc(Br)cc2)C1 97570341 VQUPNVAYADLLEI-INIZCTEOSA-N 425.666 4.224 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCCCc2nc3ccccc3[nH]2)cc1[N+](=O)[O-])c1ccccn1 108788591 MPGKCAFVWBIGNS-INIZCTEOSA-N 444.495 4.402 5 20 IIBD CCCCN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CC(C)(C)NC(C)(C)C1 111024307 DSTKIVXDALQRPU-UHFFFAOYSA-N 427.549 4.332 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 195674250 GCLIFESNDKUPAS-AZUAARDMSA-N 438.311 4.129 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1Sc1nc(O)c2cnn(-c3ccccc3)c2n1 301550332 GQHCNUSGFPJSNC-UHFFFAOYSA-N 444.270 4.343 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCCCc3nc4ccccc4[nH]3)cc2[N+](=O)[O-])C1 302898285 MMRCRFUAEZCEPF-IAGOWNOFSA-N 435.528 4.316 5 20 IIBD CC(C)(NCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1)c1ccccc1[N+](=O)[O-] 429264475 CDIXWNFQIBCNNK-SFHVURJKSA-N 438.509 4.452 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](N[C@H]1Cc2cccc(O)c2C1)c1ccccc1 429316890 MOWIAXDFLZPIEE-KSFYIVLOSA-N 437.883 4.391 5 20 IIBD CCCn1ccnc1CCCN(C)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 430506229 VTSMYJREMAFJBA-UHFFFAOYSA-N 438.478 4.271 5 20 IIBD Cc1c(NC(=O)N(C)CC(=O)NC(c2ccccc2)c2ccccc2)cccc1[N+](=O)[O-] 432753193 SQDJNDUOAZGHRL-UHFFFAOYSA-N 432.480 4.273 5 20 IIBD CCOc1ccc2c(c1)CCN(C(=O)Nc1cc(OCC)c(OCC)cc1[N+](=O)[O-])C2 434199609 DRMHXEQGXAZPLE-UHFFFAOYSA-N 429.473 4.381 5 20 IIBD COc1cccc(C(N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c2cccc(OC)c2)c1 434264213 ASISGAQGHADCJH-HSZRJFAPSA-N 447.491 4.097 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCO[C@H](c2ccc(F)cc2)C1 435880581 QAQJPFKCNVNYTF-FQEVSTJZSA-N 438.405 4.312 5 20 IIBD COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1O)CCO2 436974490 YZKOYTMWSUHBEM-NRFANRHFSA-N 434.448 4.475 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C(C)C 437254761 ACBKMYMHYPZTNC-UHFFFAOYSA-N 440.283 4.286 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] 439255095 WFMAMJVBAYLHPA-INIZCTEOSA-N 443.294 4.331 5 20 IIBD O=C(Nc1cc(F)c(OC(F)F)cc1-n1cncn1)c1cc2cc([N+](=O)[O-])ccc2s1 439260387 PABYUIWJUHDPFK-UHFFFAOYSA-N 449.370 4.383 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 439937574 YKPQJFOZMIBJGG-ZDUSSCGKSA-N 427.461 4.160 5 20 IIBD COc1ccc(NC(=O)C(=O)Nc2cccc(CSC3CCCC3)c2)cc1[N+](=O)[O-] 441035190 MQPRYYMOCDIBIV-UHFFFAOYSA-N 429.498 4.356 5 20 IIBD COc1ccc2c(c1OC)CCN(C(=O)c1cccc3c(=O)c4cccc(F)c4[nH]c13)C2 444295185 DRYYFFBLMYVSTN-UHFFFAOYSA-N 432.451 4.036 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2F)no1 445458562 VCIWTMDBONVCHV-VIFPVBQESA-N 435.209 4.037 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1nc2cc(Cl)ccc2s1 445911065 YTCKYMMMTMXKRB-UHFFFAOYSA-N 440.706 4.479 5 20 IIBD O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1sc(Br)cc1[N+](=O)[O-] 446047232 WFXOISQBEBKGNM-JTQLQIEISA-N 445.266 4.368 5 20 IIBD CC(C)(CO)[C@@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1ccccc1 446871580 NWBDPSGYWXVCMO-SFHVURJKSA-N 442.903 4.008 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2c(F)cccc2N2CCCC2)c(C(F)(F)F)c1 446950823 BTSCXQGLMQHOMK-UHFFFAOYSA-N 433.383 4.154 5 20 IIBD Cc1ccc(C[C@@H](NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c2ccccn2)cc1 460339550 CYXPQPNSNFLWPD-JOCHJYFZSA-N 432.480 4.186 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ccc(OC2CCCC2)c(F)c1 461362383 ODBFPTFOGJIJQH-UHFFFAOYSA-N 435.839 4.077 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@](CO)(Cc2ccccc2)C1 462935327 NENVLLSCGSFNCS-QHCPKHFHSA-N 437.521 4.176 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1CC[C@@H](n2cccn2)C1 463445914 ROAWQRUCJUHLTP-XLIONFOSSA-N 425.876 4.072 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)C[C@H](O)COc1ccccc1C(F)(F)F 463952395 SEWUGWCJQVDMOX-AWEZNQCLSA-N 441.406 4.134 5 20 IIBD CSc1ccc(F)cc1CNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 465202725 IQVKKZJAAFMRSG-UHFFFAOYSA-N 428.489 4.247 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 467281513 VYKLXIBARBRUND-HNNXBMFYSA-N 444.447 4.084 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CCCCC[C@H]2CC(=O)c2ccco2)cc([N+](=O)[O-])c1 469117995 XAXXDJPAUDEATM-KRWDZBQOSA-N 428.441 4.022 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2c(c1)N(C(=O)C(C)(C)C)CCO2 470841390 SWTXWXFUOAWYOZ-UHFFFAOYSA-N 427.457 4.017 5 20 IIBD COc1ccc(NC(=O)c2cc(I)ccc2Cl)c([N+](=O)[O-])c1 471104903 QXDJTYGQFPCULY-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 472572905 YSYXYNFSFKYHIS-UHFFFAOYSA-N 448.504 4.067 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 479719687 TYWBTOMOWMVVQF-INIZCTEOSA-N 442.216 4.241 5 20 IIBD CC(C)(NC(=O)NCCCOc1ccc(C(F)(F)F)cn1)c1ccc([N+](=O)[O-])cc1 479807675 UZPGQAJLIATJPW-UHFFFAOYSA-N 426.395 4.012 5 20 IIBD COc1ccc(-c2nnc(SCCn3ccc([N+](=O)[O-])n3)n2C2CCCCC2)cc1 481256795 LIZGESQIYMTNEB-UHFFFAOYSA-N 428.518 4.356 5 20 IIBD CCCCN1C(=O)CC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(OC)cc1 481623299 JVDKTIPBGHBQQG-RBBKRZOGSA-N 425.485 4.322 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1 482143782 SSXUGFDWWIECDI-KRWDZBQOSA-N 429.477 4.248 5 20 IIBD CCc1c(NC(=O)COc2ccccc2[N+](=O)[O-])cnn1-c1cccc(C(F)(F)F)c1 482708844 AASGLCXGDAHSAM-UHFFFAOYSA-N 434.374 4.379 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCC2)cc1SC 483038020 FVCYDUUXISWOSK-UHFFFAOYSA-N 449.916 4.467 5 20 IIBD Cn1ccnc1CNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 485651205 UQVPPKSQTOHCJY-UHFFFAOYSA-N 425.495 4.019 5 20 IIBD CCN(CC)c1ccc(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cn1 485939904 YNLKZFDATNJIGQ-UHFFFAOYSA-N 434.496 4.345 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)N[C@H](c1ccc(F)cc1)c1cccs1 487871986 NSJLJROAFOEVRI-OAQYLSRUSA-N 437.452 4.016 5 20 IIBD CCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 488887205 AOXPRNWEVPIGRW-OAQYLSRUSA-N 437.427 4.418 5 20 IIBD COc1ccc(-n2c(SCc3cccc([N+](=O)[O-])c3C)nnc2-c2cnccn2)cc1 488922025 SQNWWGZDWSGWSM-UHFFFAOYSA-N 434.481 4.242 5 20 IIBD CCC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c1 491056431 BUAWJUNZOIMZBF-MRXNPFEDSA-N 447.557 4.119 5 20 IIBD Cc1ccc(Br)cc1NC(=O)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 499482729 DAVIUHPEAJGFDW-UHFFFAOYSA-N 446.257 4.171 5 20 IIBD COc1ccc(CNC(=O)N2Cc3cc(Br)ccc3C[C@H]2C)cc1[N+](=O)[O-] 499755361 DEISACFBFBHDMV-GFCCVEGCSA-N 434.290 4.022 5 20 IIBD COc1ccc([C@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])c2c[nH]c3ccccc23)cc1 499770808 OTHZDTRYNMLPOS-SFHVURJKSA-N 430.464 4.229 5 20 IIBD CCCN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@H](C)CC(=O)Nc1ccccc1 500647576 RNAGYNMTZNNAKZ-QGZVFWFLSA-N 435.484 4.050 5 20 IIBD COC(=O)c1cc(C)ccc1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 500904651 PNFAIFQESMMTFI-UHFFFAOYSA-N 428.388 4.439 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C 502146663 HMGKNAAGIZHIAB-LJQANCHMSA-N 438.450 4.100 5 20 IIBD COc1cc(C(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)ccc1[N+](=O)[O-] 504812768 HLXKSHSHSRKONK-UHFFFAOYSA-N 442.475 4.445 5 20 IIBD Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CCCN([C@H](C)c2ccccc2F)C1=O 505403470 PLEKODRXXYWWLR-DYVFJYSZSA-N 433.867 4.178 5 20 IIBD Cc1cc(OCc2nnc(C(=O)NCc3ccc(F)cc3)s2)c(Cl)cc1[N+](=O)[O-] 506544321 AERARCZRPYEAHU-UHFFFAOYSA-N 436.852 4.056 5 20 IIBD C[C@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccc(-n2cccn2)c(F)c1 508850860 VZYUNKQWILDXBJ-VIFPVBQESA-N 439.266 4.235 5 20 IIBD Cc1cn(CC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)nc1[N+](=O)[O-] 509764855 YZIZRLGETSUGIE-UHFFFAOYSA-N 447.373 4.010 5 20 IIBD CCCCCc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2I)s1 511373202 NYJOTFGAJSJDEQ-UHFFFAOYSA-N 446.270 4.036 5 20 IIBD Cc1c(Br)cc(C(=O)NCc2nc(-c3ccncc3)cs2)cc1[N+](=O)[O-] 511517098 XTAGEOSRBBHMHI-UHFFFAOYSA-N 433.287 4.114 5 20 IIBD COc1ccc(CNC(=O)C2CCN(Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)cc1 512682797 IKIWGYPAMRRKRV-UHFFFAOYSA-N 425.529 4.255 5 20 IIBD COc1cc(CN2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c([N+](=O)[O-])cc1OC 513034471 BCLKLRBVQJNPBJ-HNNXBMFYSA-N 442.447 4.181 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 515796691 IRFRNVCYXOQFSE-GOSISDBHSA-N 435.383 4.240 5 20 IIBD Cc1ccc(CN(CCc2ccccc2)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)s1 515965050 HAESNTMGTIBRQU-UHFFFAOYSA-N 437.521 4.483 5 20 IIBD O=C(c1ccc(CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)cc1)N1CCCCC1 519965457 PJTBQLKKFXBCGU-UHFFFAOYSA-N 436.512 4.069 5 20 IIBD COc1ccc(-c2csc(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)n2)cc1F 520097304 TZVFRWZLTOKFSN-UHFFFAOYSA-N 426.429 4.459 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2nnc(Cc3ccc(C)cc3)s2)cc1OC 521712660 LJBZLKXBJKXNQB-UHFFFAOYSA-N 428.470 4.005 5 20 IIBD Cc1ccc(C[C@H](NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)c2ccccn2)cc1 522397037 GPSXFFOQQXNBRT-QFIPXVFZSA-N 428.448 4.266 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@H]1CCCOc2ccccc21 523362107 UESUDPDUNJCZQG-HNNXBMFYSA-N 438.406 4.239 5 20 IIBD O=C(Nc1ccc(C(F)(F)F)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 523589787 FAOWJTALWRNXIJ-UHFFFAOYSA-N 429.786 4.016 5 20 IIBD COc1cccc([C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)c2cc(F)ccc2OC)c1 530601554 OOBHMAPMUZNSSH-JOCHJYFZSA-N 439.443 4.340 5 20 IIBD O=C(NCCCCc1nc(-c2cccnc2)cs1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 530609632 XCYPWZGBECMHHH-UHFFFAOYSA-N 437.525 4.440 5 20 IIBD CC(C)(C)c1ccc(Oc2ccc(CNc3ccn(CCC(N)=O)n3)cc2[N+](=O)[O-])cc1 532866482 SQURFIWHYZVJIE-UHFFFAOYSA-N 437.500 4.369 5 20 IIBD Cc1c(NC(=O)[C@H](C)N(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)cccc1[N+](=O)[O-] 532957910 QGTABRAAHWZIJV-INIZCTEOSA-N 439.491 4.324 5 20 IIBD COCCOc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)nc2ccccc12 534704162 GGLBSIIVRCCJNK-UHFFFAOYSA-N 433.367 4.022 5 20 IIBD CCOC(=O)c1c(NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc(OC)cc1OC 534793494 XBTNLPHRXPREOE-UHFFFAOYSA-N 427.413 4.056 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCN(c2nc3ccccc3s2)CC1 535438946 ZTMDGKBSKZXFMB-UHFFFAOYSA-N 436.415 4.186 5 20 IIBD CN(C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 535804609 LVEXDGYGVYLSTN-QMHWCDLVSA-N 429.492 4.210 5 20 IIBD CCN(CCC1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1)CC1CC1 537808805 DMZZVUSSYMAFSZ-UHFFFAOYSA-N 438.366 4.332 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N(CCO)C1CCSCC1 539926502 PBWKYPVVYYKHAG-UHFFFAOYSA-N 436.917 4.371 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 540845567 SJMOPLPTIKJXIA-MRXNPFEDSA-N 431.924 4.363 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cnn(-c2ccccn2)c1C(F)(F)F 541998774 YPNROYURIFKLGG-UHFFFAOYSA-N 445.279 4.465 5 20 IIBD C[C@@H](C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1ccc([N+](=O)[O-])cc1F 542532889 MJEIHVHZYWBMFO-BMLIUANNSA-N 440.258 4.066 5 20 IIBD C[C@@H](C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1F 542552334 SREFQRRRDRWYNH-CQSZACIVSA-N 441.425 4.447 5 20 IIBD COc1cc(CN(C)C2CCC(NC(C)=O)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 544347627 NNCUASFQPIYSPW-UHFFFAOYSA-N 441.528 4.062 5 20 IIBD CCN(C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 544850296 SOKHIXMUIDRYPY-KRWDZBQOSA-N 429.542 4.062 5 20 IIBD CC(C)O[C@@H]1C[C@H](NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1(C)C 545213432 VNWGSWJYEFZQAK-GQWLDOHISA-N 426.517 4.485 5 20 IIBD COCCCOc1cc(C)ccc1-c1noc(-c2ccn(-c3ccccc3[N+](=O)[O-])n2)n1 545755044 GKAJPYRUBUCKGU-UHFFFAOYSA-N 435.440 4.221 5 20 IIBD CCOc1cc(NC(=O)NCc2nc3cc(Cl)ccc3n2C)c([N+](=O)[O-])cc1OCC 547991051 LSXRKBMFDQKGLB-UHFFFAOYSA-N 447.879 4.254 5 20 IIBD Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1 553830364 OHQORKLIODNYJP-XZOQPEGZSA-N 437.540 4.137 5 20 IIBD CC(C)c1nc(C2CCN(c3ccc(I)cc3[N+](=O)[O-])CC2)no1 555206851 XBPIYKISBYZLFW-UHFFFAOYSA-N 442.257 4.090 5 20 IIBD C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 556538615 HBRAEWXRLQCVCK-KZULUSFZSA-N 446.301 4.126 5 20 IIBD NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 557697023 KPLLFORZEXZQBF-GJZGRUSLSA-N 429.420 4.009 5 20 IIBD COc1ccc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCCO2)cc1 559176695 WUDNROINNMHTHN-OAQYLSRUSA-N 437.500 4.067 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CC(C)(C)[C@@H]2c2cnn(C)c2)cc1[N+](=O)[O-])c1ccccn1 560561041 HJLNYFDUNBUWNX-VFNWGFHPSA-N 434.500 4.120 5 20 IIBD C[C@@H](C(=O)NCC1(c2ccc(Br)cc2)CCOCC1)c1cccc([N+](=O)[O-])c1 567811288 DABILHKFXLHUDA-OAHLLOKOSA-N 447.329 4.325 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(CC)[C@@H]2c2ccc(Cl)c(F)c2)c1 578135600 KSRGTPCWOVIALM-AZUAARDMSA-N 435.883 4.351 5 20 IIBD Cc1cc(=O)c(C(=O)N2C[C@@H](C)CC[C@@H]2c2ccccc2)nn1-c1ccccc1[N+](=O)[O-] 587989123 MCNRUEPWVFQADA-QFBILLFUSA-N 432.480 4.063 5 20 IIBD O=C([C@@H]1CCN(c2ccccc2Cl)C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 589437009 LKDPHLJVHHYRGD-MRXNPFEDSA-N 429.904 4.145 5 20 IIBD Cc1noc2nc(C3CC3)cc(C(=O)NCCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c12 589848152 XEISBFFZDXPCJU-UHFFFAOYSA-N 449.389 4.178 5 20 IIBD CC(C)C(=O)Nc1ccc(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 603586834 DIDHTIREODDMQL-UHFFFAOYSA-N 438.406 4.050 5 20 IIBD O=C1[C@@H](c2cccs2)N(Cc2ccccc2)C(=O)N1CCOc1ccccc1[N+](=O)[O-] 603678074 RKYRJNGMDSJMPA-HXUWFJFHSA-N 437.477 4.241 5 20 IIBD C[C@H]1CCCCN1Cc1ccc(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1 603895683 BOVUMCSMPFURQY-SFHVURJKSA-N 433.512 4.085 5 20 IIBD Cc1ccc(C(=O)Nc2ccccc2)cc1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] 603976552 GQNDBVAFSAKRLG-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD Cc1cccc(C(=O)NCCNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)c1 604027743 AUOKKJIQDPCHMO-UHFFFAOYSA-N 435.505 4.214 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1c1cccc(Br)c1 604043391 PVWPXXLUVISOPN-MRXNPFEDSA-N 425.304 4.192 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])N1CCc2[nH]c3c(Br)cccc3c2C1 604361193 ICDYNXPQUZZFBD-UHFFFAOYSA-N 429.274 4.107 5 20 IIBD COc1ccc(CC(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)cc1[N+](=O)[O-] 609058126 VZNXWBOKHNWOQZ-UHFFFAOYSA-N 431.876 4.064 5 20 IIBD CS(=O)(=O)CCCC(=O)Nc1cc([N+](=O)[O-])ccc1Nc1cccc(C(F)(F)F)c1 609407644 XRUPRAANPBQLCV-UHFFFAOYSA-N 445.419 4.121 5 20 IIBD C[C@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])Sc1ccc(Br)cc1 609463386 GHABYYIYZMULQY-CYBMUJFWSA-N 439.331 4.423 5 20 IIBD COCc1ccc(CNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cc1 609855640 NQOITLQLEWUXER-UHFFFAOYSA-N 435.267 4.164 5 20 IIBD Cc1cc(NC(=O)COc2ccc(Br)cc2[N+](=O)[O-])n(-c2ccc(F)cc2)n1 610219388 ZYGCLSBVGOJGGK-UHFFFAOYSA-N 449.236 4.008 5 20 IIBD COc1cc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])c(OC)cc1NC(=O)c1ccccc1 610220647 RQSMZTHVWKUNSQ-UHFFFAOYSA-N 435.436 4.425 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1 610222790 AAZCHJKRYHZPKU-UHFFFAOYSA-N 425.876 4.414 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccccc1)C[C@H](O)C(F)(F)F 611579348 VFXGLMCCXKJPGR-DYVFJYSZSA-N 428.432 4.027 5 20 IIBD Cc1ccc(CN(C)C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)nc1 616172113 UUXDUPUEXKGYLR-UHFFFAOYSA-N 441.491 4.352 5 20 IIBD COC(=O)CCN(Cc1cccc(Br)c1)Cc1nc2cc([N+](=O)[O-])ccc2o1 616794176 XQTREPDACAQHIG-UHFFFAOYSA-N 448.273 4.064 5 20 IIBD CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 618923891 MCSATNYSIKFBLI-KRWDZBQOSA-N 442.903 4.101 5 20 IIBD CCCN(CC)c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cn1 725968895 IRTPOTXHHCNURZ-CYBMUJFWSA-N 434.880 4.064 5 20 IIBD C[C@@H](NC(=O)c1ccccc1NC(=O)COc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 726788640 SZDUTOLRPPZYIC-OAHLLOKOSA-N 437.427 4.242 5 20 IIBD O=C(Nc1cccc(SC(F)F)c1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 727345099 XJWSBWPJSOSPGG-JTQLQIEISA-N 425.388 4.040 5 20 IIBD Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 729528894 IOZOAFMLNWFYBV-UHFFFAOYSA-N 436.859 4.444 5 20 IIBD CC(C)[C@H](OC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)N[C@H]1CCOc2ccccc21 730645565 YHTDIXDORWMEAO-KXBFYZLASA-N 432.860 4.070 5 20 IIBD O=C(CCOc1ccc(Cl)cc1Cl)O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 731514342 SFXPZPXQQYVLRS-QGZVFWFLSA-N 439.251 4.019 5 20 IIBD Cc1ccsc1C(=O)Nc1ccc(OS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 731673310 KCXLTLAQYONTSV-UHFFFAOYSA-N 432.479 4.126 5 20 IIBD Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)ccc1N1CCCC1 731782814 ZLOLIPRHAGTJHP-UHFFFAOYSA-N 440.319 4.067 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@@H](CC(F)(F)F)c1ccc(Br)cc1 731993450 ANXSQMKDEPULPN-LBPRGKRZSA-N 436.184 4.099 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)CC[C@@H]2CCCCO2)c2ccccc2)c([N+](=O)[O-])c1 732379279 DFJWDUGBHDXWCH-AVRDEDQJSA-N 426.469 4.476 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@H]1CCc2c(Cl)cccc21 732507109 OAFWCXOKVFGMFR-MOPGFXCFSA-N 448.928 4.330 5 20 IIBD CCCC1=C(C(=O)OCC)[C@H](c2csc(-c3cccc([N+](=O)[O-])c3)n2)NC(=O)N1CC 733121866 PYNDXHGBPAGYJS-SFHVURJKSA-N 444.513 4.422 5 20 IIBD Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)OCc1nc2ccccc2c2ccccc12 733517484 VOSVGMLGLCCWAQ-DEOSSOPVSA-N 441.466 4.349 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](OC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)c1ccccc1 733839536 YIOYCXVVIYNSAT-OHDICMOHSA-N 430.844 4.039 5 20 IIBD CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)OCc1cc([N+](=O)[O-])ccc1Cl 734779115 ATGZKBKZWAZOFD-VLIAUNLRSA-N 430.888 4.291 5 20 IIBD O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(CN2CCCCC2=O)cc1 735443743 SUNNOSQKRBVNGA-UHFFFAOYSA-N 435.436 4.119 5 20 IIBD O=C(Nc1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2Br)c1)c1ccco1 739569121 KDDGUHPBPHFDNQ-UHFFFAOYSA-N 431.198 4.422 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H](O)c1c(Cl)cccc1Cl 740941951 PKPKHWRRLRNINA-LKFCYVNXSA-N 433.675 4.172 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 742890759 WWHRUZUILMKCKX-CYBMUJFWSA-N 443.456 4.204 5 20 IIBD CCOC(=O)N(C)c1ccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 743254114 KOCDQHJZCUEGKX-UHFFFAOYSA-N 448.284 4.295 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 744193956 HACXOAHTJMCNQT-QFBILLFUSA-N 444.488 4.021 5 20 IIBD CCN(CC1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1)C(=O)OC(C)(C)C 745945183 BWYYDBROOGWSJQ-UHFFFAOYSA-N 445.520 4.114 5 20 IIBD CCOc1c(Cl)cc(CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1OC 748625010 VPAPVYWKWFWVBX-UHFFFAOYSA-N 437.836 4.111 5 20 IIBD O=C(COC(=O)c1ccc(Br)cc1[N+](=O)[O-])Nc1cc(Cl)ccc1Cl 750963875 JCMXLEYZCIXAKO-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD CC(C)(C)OCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cc1 752473044 PMTQNPAYJVADGA-OAHLLOKOSA-N 429.448 4.041 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 753358605 BXHBRUUGRBLBBE-HSZRJFAPSA-N 446.548 4.306 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c1Br 754017272 DVEBUPKAPRUEPO-CYBMUJFWSA-N 443.342 4.144 5 20 IIBD COCCN(C(=O)c1sc(Cl)nc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 754617731 RFSRBNVBQVNROE-UHFFFAOYSA-N 438.918 4.430 5 20 IIBD C[C@@H](C(=O)OCC(=O)Nc1ccc(SC(F)F)cc1)c1ccc([N+](=O)[O-])cc1F 755051846 ANSFOLAAXAVTQG-SNVBAGLBSA-N 428.388 4.334 5 20 IIBD CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1 759789099 DUNWXFQCLCSVCS-QGZVFWFLSA-N 425.445 4.066 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H](c2noc(CCCNc3ccc([N+](=O)[O-])cc3)n2)C1 761877887 HDCAKUQYXJTZFE-OAHLLOKOSA-N 431.493 4.137 5 20 IIBD C[C@H](C(=O)Nc1cnc(Br)c(Br)c1)c1cccc([N+](=O)[O-])c1 762024012 FJOSOCMUUHRZPU-QMMMGPOBSA-N 429.068 4.257 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](O)c1ccc(OC(F)(F)F)cc1 764060716 SFZZYJLOFICNAN-HNNXBMFYSA-N 430.404 4.069 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 765112621 GFLIEEPAFFWIPY-YXYSEUPNSA-N 445.560 4.315 5 20 IIBD Cc1c(C(=O)N[C@H](C)Cc2ccc(F)c(Br)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 766026649 ARLKZLNXKOHUSS-SECBINFHSA-N 440.225 4.074 5 20 IIBD CCSc1cccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 769855584 SKYWQHKULZHQJV-GOSISDBHSA-N 428.539 4.138 5 20 IIBD COc1ccc(NC(=O)c2ccc(I)c([N+](=O)[O-])c2)c2ncccc12 770183659 PFFDHASOLVWAKI-UHFFFAOYSA-N 449.204 4.009 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc([C@H]3CC(=O)N(c4c(C)cc(C)cc4C)C3)n2)c1 771389244 GKETXTVRXLSARF-KRWDZBQOSA-N 436.468 4.023 5 20 IIBD C[C@@H]1[C@@H](C)N(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCN1C(=O)OC(C)(C)C 776502259 HEQUNYJRKYDZJV-ZIAGYGMSSA-N 446.529 4.188 5 20 IIBD CC(C)(C)OC(=O)NCc1nc(C(=O)OCc2ccc([N+](=O)[O-])cc2Cl)cs1 778088144 NCOAWQLRDJUIDC-UHFFFAOYSA-N 427.866 4.086 5 20 IIBD Cc1cc(C)cc(OCc2noc(COC(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)n2)c1 778168848 DISGCUPVENBDHO-UHFFFAOYSA-N 433.367 4.009 5 20 IIBD Cc1ccc(-c2nnc([C@H](C)OC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)cc1C 781735431 GDNSWTCBYWRVKG-AWEZNQCLSA-N 440.412 4.407 5 20 IIBD Cc1cc(N2CCC(OCCCNC(=O)OC(C)(C)C)CC2)c2cc([N+](=O)[O-])ccc2n1 782960680 WJMVHBRYMVVYKB-UHFFFAOYSA-N 444.532 4.352 5 20 IIBD Cc1oc2cc(OC[C@H](O)COc3ccccc3[N+](=O)[O-])ccc2c(=O)c1-c1ccccc1 783914735 DHZVZKWJPMWZED-SFHVURJKSA-N 447.443 4.495 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CC[C@H](Oc3cccc(F)c3)C2)c1=S 784029439 PTXJTFVUKUWCNW-IBGZPJMESA-N 443.504 4.259 5 20 IIBD COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)OC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c1 784257412 APGDGQFTPQLGIK-GJZGRUSLSA-N 444.484 4.158 5 20 IIBD O=C(CCCOc1ccc2c(c1)NC(=O)CC2)Nc1ccc(Br)c([N+](=O)[O-])c1 784402212 RNLFLVIHYJZCKE-UHFFFAOYSA-N 448.273 4.040 5 20 IIBD O=C(OCc1coc(-c2c(F)cccc2F)n1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 785675168 CYCDWBPNTWYNES-UHFFFAOYSA-N 426.335 4.071 5 20 IIBD CN(Cc1ccc(Br)cc1Cl)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 790469950 LYOLJEAJXQREID-UHFFFAOYSA-N 436.697 4.359 5 20 IIBD COc1ccc(CN(C2CC2)S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cc1 791416904 IUIGDJHFLBAQJN-UHFFFAOYSA-N 431.297 4.264 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CCC(F)(c2ccc(Cl)cc2)CC1 800634984 HYVVDQXZMSSIEA-UHFFFAOYSA-N 437.830 4.122 5 20 IIBD CC[C@@H](C)[C@H](C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccccc1 800734506 QTDKVOSPZRSPFS-QRQCRPRQSA-N 442.468 4.068 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)OCc1nc2ccc(Br)cc2o1 803092352 RRQKTYHWQYYHCH-UHFFFAOYSA-N 430.214 4.197 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)O[C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c1F 803462992 YVMSQMZJTVKMCT-OAHLLOKOSA-N 426.322 4.023 5 20 IIBD CN(C)C(=O)Sc1cc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)ccc1Cl 805434548 RPUFBDQIKZVTAG-UHFFFAOYSA-N 427.841 4.179 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)c(SC(=O)N(C)C)c1 808117665 XUOSWHQBVIAZNH-UHFFFAOYSA-N 429.907 4.131 5 20 IIBD COC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 809696419 JFTRIXCLWHSWGC-KRWDZBQOSA-N 432.782 4.436 5 20 IIBD C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1Cl)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 809913375 HLMPIBRQRKADMB-OLZOCXBDSA-N 426.901 4.405 5 20 IIBD C[C@@](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])(C(N)=O)c1cccc(C(F)(F)F)c1 809964034 DBHNLRCCUQRMPW-INIZCTEOSA-N 436.217 4.411 5 20 IIBD COC(=O)CCCOc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 812994277 ICAXXIQTULPCBV-UHFFFAOYSA-N 427.240 4.486 5 20 IIBD C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(C(F)(F)F)nc1Cl 815049800 HPKQBJRARCSTLU-ZETCQYMHSA-N 444.218 4.355 5 20 IIBD CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)CC2 815760905 ZXOUQGMTZSMLPC-JSGCOSHPSA-N 443.422 4.228 5 20 IIBD COc1cccc(Cc2cnc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)s2)c1 817996419 DXQLKJVKSNXFSX-UHFFFAOYSA-N 439.902 4.105 5 20 IIBD CCOC(=O)[C@@H](c1ccc(Cl)cc1)N(CC)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 818105017 BTXJKTLEBDSUCQ-GOSISDBHSA-N 449.847 4.231 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2O)c1Cl 821178668 UAAUSJGYTUJXQU-UHFFFAOYSA-N 431.175 4.427 5 20 IIBD O=C(NCC(F)(F)F)c1ccccc1NCc1c(Br)cccc1[N+](=O)[O-] 863994447 ZSENWUWJPLTYGI-UHFFFAOYSA-N 432.196 4.262 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)cc1[N+](=O)[O-] 915083103 BSISHWKRXRSSDG-IBGZPJMESA-N 432.864 4.032 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)O[C@@H](C)C(=O)c2ccc(Br)cc2)c1 915440240 RNKGAEYKTISNKE-ZDUSSCGKSA-N 436.258 4.249 5 20 IIBD COc1cccc(Oc2ccc(CNc3c([N+](=O)[O-])cc(CO)c(C)c3[N+](=O)[O-])cn2)c1 917081765 AAPZRSMGURJFOB-UHFFFAOYSA-N 440.412 4.112 5 20 IIBD CCOC(=O)C[C@@H](c1ccccc1)C1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 917482563 JQOKFJPYLSQSII-QFIPXVFZSA-N 436.512 4.351 5 20 IIBD Cc1sc(NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)nc1-c1cccc([N+](=O)[O-])c1 917790590 JGPHUWRECQRYRS-HNNXBMFYSA-N 432.502 4.365 5 20 IIBD COc1ccc(COC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)cc1[N+](=O)[O-] 919062170 QTMJPCIFWJEBKT-UHFFFAOYSA-N 439.321 4.304 5 20 IIBD O=C(COC(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1)Nc1cc([N+](=O)[O-])ccc1F 919204423 GRHZGRCCJVDWCV-UHFFFAOYSA-N 426.187 4.318 5 20 IIBD COc1ccccc1-c1nn(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(=S)n1C 919950054 FCULSDUUYSAYSX-UHFFFAOYSA-N 427.530 4.403 5 20 IIBD Cc1cc(C(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCCC3)cc([N+](=O)[O-])c1 920842416 HHLLCEJXWXRZQH-MRXNPFEDSA-N 443.525 4.005 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1)C1CCCCC1 1319127136 WDRAGLHMUJXTIT-GOSISDBHSA-N 433.461 4.253 5 20 IIBD Cc1c(I)cccc1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 1320070910 QBPJPOFJEWXKNV-UHFFFAOYSA-N 436.209 4.170 5 20 IIBD Cc1cc(C(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c(C)n1Cc1ccccc1 1320162924 GCQPLJAKTYTRAZ-UHFFFAOYSA-N 432.524 4.019 5 20 IIBD CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C2)c1ccccc1 1795458281 PLULWICMFJQIRD-DMUMMCEESA-N 439.487 4.180 5 20 IIBD Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)C3CCCC3)CC2)cc1[N+](=O)[O-] 1830362649 DTXBPKAWZHOCNW-QFIPXVFZSA-N 441.572 4.256 5 20 IIBD C/C=C/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1831364188 GCBLMEIAEZZJOE-AXVWPGNMSA-N 429.492 4.100 5 20 IIBD CC1(C)CCC(CC(=O)N2CCCC23CN(C(=O)/C=C/c2ccc([N+](=O)[O-])o2)C3)CC1 1845256989 VFXAQBKEPVGBIU-GQCTYLIASA-N 429.517 4.011 5 20 IIBD COc1cccc(Nc2nnc(SCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)s2)c1 3439732 HBTNVACPMYAYGQ-UHFFFAOYSA-N 435.462 4.068 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)[C@@H]2Cc3ccccc3O2)c2ccccc2)c([N+](=O)[O-])c1 10615341 XZFXPRPRHNKVTC-FCHUYYIVSA-N 432.432 4.130 5 20 IIBD CCN(CC)C(=O)c1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 14285505 XSSDNMXJUWSYPH-UHFFFAOYSA-N 427.504 4.275 5 20 IIBD Cc1ccc(NC(=O)COC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(F)c1 18968662 XGLVXBBNRLPCBX-UHFFFAOYSA-N 443.353 4.045 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 21959569 AFRXPGJJJJTOBY-UHFFFAOYSA-N 437.446 4.420 5 20 IIBD O=C(COC(=O)c1ccc(COc2ccc(F)cc2)o1)Nc1ccc([N+](=O)[O-])cc1Cl 24767342 DGBORYXRZNBXDW-UHFFFAOYSA-N 448.790 4.355 5 20 IIBD Cn1ccnc1[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 29875008 KMWJTOKLGSBCPI-HXUWFJFHSA-N 427.892 4.080 5 20 IIBD O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N(CCc1ccccc1)Cc1ccccc1 30774136 PJYUAJOARAPHDG-UHFFFAOYSA-N 427.464 4.061 5 20 IIBD COC(=O)c1cc(C(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc([N+](=O)[O-])c1 46758739 FPGUVOTWMQROJL-HNNXBMFYSA-N 447.447 4.125 5 20 IIBD O=C(NCc1ccnc(OCc2ccccc2)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 46839544 SCANESISOLPNHK-UHFFFAOYSA-N 446.507 4.102 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCN(Cc3ccccn3)CC2)cc1[N+](=O)[O-] 57677159 XESWTBXDGUWRFB-UHFFFAOYSA-N 428.558 4.086 5 20 IIBD CN(c1ccccc1C(=O)Nc1ccccc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 57723021 HTASEJHXMVQHCE-UHFFFAOYSA-N 445.884 4.326 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)Cc1cc(Br)cs1 64420847 NXOYCNSSBFSONP-SECBINFHSA-N 433.711 4.498 5 20 IIBD COc1ccc2[nH]cc(C3CCN(C(=O)Cn4ccc5cc([N+](=O)[O-])ccc54)CC3)c2c1 109343625 XIAJEMLWBXIIKS-UHFFFAOYSA-N 432.480 4.446 5 20 IIBD CC(=O)Nc1ccc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c(Cl)c1 110589410 LBFRRSBCCALNJS-UHFFFAOYSA-N 441.875 4.321 5 20 IIBD COc1ccc([C@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1Br 216016485 BTEAVRQINSYESM-JTQLQIEISA-N 442.697 4.309 5 20 IIBD O=C(CSc1nnc(CN2CCCCC2)n1-c1ccccc1)c1cccc([N+](=O)[O-])c1 217931321 BBPTZGQPGMFWOF-UHFFFAOYSA-N 437.525 4.136 5 20 IIBD Cn1cc(CNCC2CCN(Cc3cccs3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 237755386 FETLDOMMEFAVPS-UHFFFAOYSA-N 425.558 4.059 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NCc1ccc(N2CCCS2(=O)=O)cc1 302153311 MJSBTSLGNSQUOF-UHFFFAOYSA-N 449.838 4.419 5 20 IIBD COc1ccc(CN(C)C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc1O 427237905 RTGQWOUDLIOTQF-HOTGVXAUSA-N 427.501 4.064 5 20 IIBD O=[N+]([O-])c1cccc(-c2ncn(Cc3coc(-c4ccc(Br)cc4)n3)n2)c1 428317056 BMIZRNHFQPFCBG-UHFFFAOYSA-N 426.230 4.319 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N(C)Cc3cn4c(n3)CCCC4)cc2[N+](=O)[O-])n1 429485558 TXUIDYQYIGPAER-UHFFFAOYSA-N 443.554 4.316 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)COc1c(Br)cccc1[N+](=O)[O-] 431232453 YHMRMHKDKYYXNJ-UHFFFAOYSA-N 429.654 4.345 5 20 IIBD Cn1c([C@H]2CCCN2C(=O)c2cc(Br)cc([N+](=O)[O-])c2)nc2ccccc21 432678911 NTFBELMVEJBGCD-QGZVFWFLSA-N 429.274 4.221 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N(CCc2ccccc2)Cc2ccncc2)c([N+](=O)[O-])c1 433439099 GSCAULWKLCCXJN-UHFFFAOYSA-N 441.491 4.204 5 20 IIBD COc1cccc(C(=O)N2c3ccccc3CC[C@H]2C(=O)Nc2ccccc2)c1[N+](=O)[O-] 435718982 ZTTKMMYKYZWHKZ-FQEVSTJZSA-N 431.448 4.204 5 20 IIBD COc1cccc(C(=O)N2c3ccccc3CC[C@@H]2C(=O)Nc2ccccc2)c1[N+](=O)[O-] 435718984 ZTTKMMYKYZWHKZ-HXUWFJFHSA-N 431.448 4.204 5 20 IIBD O=C(Nc1cc(F)ccc1Oc1ccccc1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 435736248 VNLIRIHNRKASQM-UHFFFAOYSA-N 449.394 4.432 5 20 IIBD Cn1c(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)nc2cc(F)ccc21 437171881 OZFXUWPBRFXERC-UHFFFAOYSA-N 449.229 4.365 5 20 IIBD CC(C)c1ncc(CN(C)[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cn1 440480178 JBGLLKWROAXFPV-CQSZACIVSA-N 440.529 4.091 5 20 IIBD O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 440683390 NFOOKJIWFPGFRL-AWEZNQCLSA-N 439.459 4.360 5 20 IIBD Cc1cncc(N(Cc2ccc(F)cc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 442626923 WWQGHMYABZFVDQ-UHFFFAOYSA-N 435.864 4.486 5 20 IIBD C[C@@H](CC(=O)c1cccs1)NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444241103 RGAPNZYFVLFWQH-NSHDSACASA-N 426.444 4.412 5 20 IIBD C[C@@H](NC(=O)Cc1noc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1)c1ccccc1 445291688 NAUOXHRRUIKPEA-CYBMUJFWSA-N 435.465 4.188 5 20 IIBD Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 446960470 YXKITEATLPDORF-INIZCTEOSA-N 425.304 4.192 5 20 IIBD C[C@H]1SCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)[C@@H]1c1ccccc1 447038780 OWMZACJLRXCUAF-PXAZEXFGSA-N 446.472 4.481 5 20 IIBD Cc1csc([C@@H](NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)C2CC2)n1 460241373 HJSDVLONQLAYAD-SFHVURJKSA-N 425.514 4.102 5 20 IIBD O=C(c1csc(-c2ccc3c(c2)OCO3)n1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 460349887 IBFSPHAVHFBORV-HXUWFJFHSA-N 441.490 4.335 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CC[C@H](c3ccccc3)[C@@H](C)C2)ccc1[N+](=O)[O-] 460663092 QHMFCMGLTHNKDD-AVCGJXAMSA-N 435.524 4.160 5 20 IIBD CC(C)N(Cc1ccccc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCOC1 461529732 BGBVBPZRFFMTGU-KRWDZBQOSA-N 439.491 4.444 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 462760522 GXFGDSCIWACHIY-ICSRJNTNSA-N 433.512 4.355 5 20 IIBD CS(=O)(=O)c1cccc([C@H](Nc2ncc([N+](=O)[O-])cc2Cl)c2ccc(F)cc2)c1 463077241 NJXGPTANCXNSCM-GOSISDBHSA-N 435.864 4.387 5 20 IIBD O=C(CCc1nc2cc(Br)ccc2s1)NCCNc1ccccc1[N+](=O)[O-] 463432881 IQIHQVHCTMPFCY-UHFFFAOYSA-N 449.330 4.128 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)c2ncccc12 464411909 OTMYXYWZCFVFGT-QGZVFWFLSA-N 449.941 4.275 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CN(CCCOc3ccccc3)C3CCOCC3)n2)cc1 464586744 LAYIUWPWSCWLEB-UHFFFAOYSA-N 438.484 4.095 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(I)c(F)cc1F 464709552 JRQCEWCCSOVNEX-UHFFFAOYSA-N 432.164 4.292 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1cc(C2CCCC2)nn1-c1ccccc1 465178272 VXTCDYARBVELES-UHFFFAOYSA-N 448.479 4.391 5 20 IIBD O=C(NCc1cc(Br)cs1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465657692 KZEOOSJVRDPLRU-UHFFFAOYSA-N 440.319 4.172 5 20 IIBD C[C@@H](NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(-c2ccncc2)cc1 470464811 FJOACTUJHRVEHI-GOSISDBHSA-N 431.496 4.250 5 20 IIBD Cc1cc(NC(=O)N[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)ccc1[N+](=O)[O-] 473767487 HSAXRDVMXCQLAX-NRFANRHFSA-N 439.493 4.218 5 20 IIBD C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)cn1 477801692 RFOXXLMGTYJCGO-VIFPVBQESA-N 430.711 4.375 5 20 IIBD CC(=O)N[C@@H](C)C1CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 478684898 CWURETXOQXXMCZ-HNNXBMFYSA-N 427.526 4.123 5 20 IIBD CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1 479788875 ZVUIXUKZZUYWTH-PMERELPUSA-N 426.498 4.080 5 20 IIBD COc1cc(C(=O)NC[C@H]2CCCC[C@H]2C(F)(F)F)c([N+](=O)[O-])cc1OC(F)F 482202851 ALLGHCHDJWHTIH-MWLCHTKSSA-N 426.338 4.303 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](CO)Cc1ccc(F)c(F)c1 482339655 WBRKNAGKVXLBDI-OAHLLOKOSA-N 438.496 4.202 5 20 IIBD CCOc1cc(N2CCN(Cc3nc4ccccc4n3C(F)F)CC2)ccc1[N+](=O)[O-] 482872101 IRAKNXOSUFGWAP-UHFFFAOYSA-N 431.443 4.061 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN[C@H](CO)c3ccc(Cl)cc3C(F)(F)F)o2)cc1 483275059 XHGOMZWTSCJHOC-OAHLLOKOSA-N 442.781 4.140 5 20 IIBD CCOC(=O)c1ccc2c(c1)CCCN2C(=O)c1sc(Br)cc1[N+](=O)[O-] 486196720 VUBADWNNUCTCGA-UHFFFAOYSA-N 439.287 4.189 5 20 IIBD Cc1cn(-c2c(F)cccc2F)nc1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 486708650 JSUBZEOCXNMWQS-UHFFFAOYSA-N 440.328 4.316 5 20 IIBD Cc1ccnc(N2CCC(c3nc(-c4ccccc4Br)no3)CC2)c1[N+](=O)[O-] 487102365 JQDAUBAQVBBKEB-UHFFFAOYSA-N 444.289 4.495 5 20 IIBD COc1cccc(Cn2ccc3ccc(NC(=O)C(C)(C)n4cc([N+](=O)[O-])cn4)cc32)c1 490293196 ZCPGMRWLAAJCAV-UHFFFAOYSA-N 433.468 4.177 5 20 IIBD CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1cccc([N+](=O)[O-])c1C 490661409 JEMWXCIIEDCORM-UHFFFAOYSA-N 448.545 4.008 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H](CO)c1ccc(Br)c(F)c1 494424576 JGBDDNBQNMCLIY-CQSZACIVSA-N 432.633 4.005 5 20 IIBD Cn1ccnc1[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1F 496394484 MOMNITHBBNEPAX-SFHVURJKSA-N 437.456 4.110 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCc3cc(Br)cs3)cc2)c(C)c1[N+](=O)[O-] 501133957 XXKLFIAJQVFLML-UHFFFAOYSA-N 449.330 4.210 5 20 IIBD C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 503568995 MAOGLBAVEMXOLA-GFCCVEGCSA-N 435.406 4.263 5 20 IIBD COC(=O)c1cc(OC)ccc1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 505455633 ONMUXIAVDCJGMQ-UHFFFAOYSA-N 435.436 4.254 5 20 IIBD CN(CCC(F)(F)F)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 508760361 ZRIOMUQURGGKCW-UHFFFAOYSA-N 432.402 4.401 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CCCc2cccc(F)c21 509128222 ZYUUJPYHPAZIHP-UHFFFAOYSA-N 440.212 4.240 5 20 IIBD CSCC[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)c1nnc2ccccn12 509359853 SZSCYTNMRJMMJL-GOSISDBHSA-N 442.545 4.052 5 20 IIBD CCn1c([C@H]2CCCN2S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])nc2ccccc21 509625414 LYTWHJXWSOOZBR-QGZVFWFLSA-N 434.905 4.144 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])Cc1ccnc(-c2ccc(Br)cc2)n1 511121417 FZFZQKOCABQNDH-UHFFFAOYSA-N 427.302 4.489 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(CC(=O)N(C)c2ccccc2)cc1 511496344 HLDGMXJKVDLVDJ-UHFFFAOYSA-N 432.480 4.464 5 20 IIBD COc1ccccc1Oc1ccc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1F 511699470 UKWRNEZAEROKMV-UHFFFAOYSA-N 448.428 4.344 5 20 IIBD Cc1sc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)nc1-c1ccc(Cl)cc1 511854595 IVJCECFRXVJTDR-UHFFFAOYSA-N 441.893 4.298 5 20 IIBD COc1cc(Br)c(NC(=O)CSc2ccccc2[N+](=O)[O-])cc1OC 512567332 ZTZSBTQVGXTBNC-UHFFFAOYSA-N 427.276 4.105 5 20 IIBD CC(C)[C@H](CN[C@H](c1ccc([N+](=O)[O-])cc1)c1nccn1C)N1CCc2ccccc2C1 513666467 LVNFMNUIVOOHLK-BJKOFHAPSA-N 433.556 4.090 5 20 IIBD CC1CCN(c2ccc(C(=O)NCc3ccccc3Cn3ccnc3)cc2[N+](=O)[O-])CC1 513842121 BAYQYRFDVFZDAZ-UHFFFAOYSA-N 433.512 4.006 5 20 IIBD O=C(CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 513954316 BPJQAARTAIXYOC-HNNXBMFYSA-N 430.511 4.069 5 20 IIBD C[C@H]1CCCN(Cc2ccccc2CN[C@@H](c2ccc([N+](=O)[O-])cc2)c2nccn2C)C1 514095911 TWIAARIILHNJLO-CYFREDJKSA-N 433.556 4.439 5 20 IIBD CCCC(=O)Nc1cccc(CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 515561832 CRAPFOIVJMSBCC-UHFFFAOYSA-N 438.528 4.500 5 20 IIBD COc1cc([C@H](C)NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 517101992 OMCGIGWWUSIPBN-KRWDZBQOSA-N 436.464 4.439 5 20 IIBD CC(C)(C)c1ccc(-c2n[nH]c(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)n2)cc1 517669176 ZCIIOBGRSUEKQF-UHFFFAOYSA-N 431.456 4.115 5 20 IIBD CCOc1ccc(-c2nc(C)c(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)s2)cc1 518829652 SQZOUBPZUSWEJI-UHFFFAOYSA-N 427.482 4.234 5 20 IIBD Cc1ccc(-n2nc(C(=O)Nc3ccnn3-c3ccc([N+](=O)[O-])cc3)c3c2CCC3)c(C)c1 520245047 IVECWJDERRRXPT-UHFFFAOYSA-N 442.479 4.324 5 20 IIBD C[C@@H](c1nnc(SCCOc2ccc([N+](=O)[O-])cc2)n1-c1ccc(F)cc1)N(C)C 520687547 SHSIUTVEMBFLJP-AWEZNQCLSA-N 431.493 4.108 5 20 IIBD CC(=O)NCCCc1ccc(-c2csc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)n2)cc1 521336746 YBDHPDYPAHLSIC-UHFFFAOYSA-N 442.472 4.178 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC(c2nc(-c3ccccn3)no2)CC1 522566747 VIZJWUNVSDQARH-UHFFFAOYSA-N 435.465 4.274 5 20 IIBD CCc1ccc([C@H](CNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)N(C)C)cc1 522626524 ZITWELFMYFCVES-FQEVSTJZSA-N 441.919 4.071 5 20 IIBD Cc1ccc(NCCCNC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)c([N+](=O)[O-])c1 523560068 IDOVKBLVVINBND-UHFFFAOYSA-N 439.516 4.153 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CC3(CCC3)c3c(F)cccc32)cc1[N+](=O)[O-] 523858492 NFIPCACRLIJNRD-UHFFFAOYSA-N 439.472 4.096 5 20 IIBD Cc1cc(NC(=O)c2nc(C(C)C)n(-c3ccccc3F)n2)n(-c2ccc([N+](=O)[O-])cc2)n1 525653531 WFDAMEIIYZCFAB-UHFFFAOYSA-N 449.446 4.184 5 20 IIBD C[C@@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(NC(=O)c2ccncc2)cc1 531780046 BEVFCIXXKQBNNP-MRXNPFEDSA-N 445.479 4.071 5 20 IIBD O=C(Nc1cc(Cl)ccc1O)C1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 532838330 WZZGYTRRVHOHDH-UHFFFAOYSA-N 438.267 4.098 5 20 IIBD Cn1c([C@H]2CCCCN2C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)nc2ccccc21 534274965 OFWPNDRYINFNRQ-OAQYLSRUSA-N 430.468 4.035 5 20 IIBD COc1ccc(C(=O)Nc2ccc(C(=O)Nc3[nH]nc4ccc([N+](=O)[O-])cc34)s2)cc1 536253017 JNUQCGDDDFLRPS-UHFFFAOYSA-N 437.437 4.046 5 20 IIBD O=C(NCCOc1c(Cl)cc(Br)cc1Cl)c1ccccc1[N+](=O)[O-] 537339383 RIXRAERFKUKMJM-UHFFFAOYSA-N 434.073 4.473 5 20 IIBD COc1ccc(CN2CCC[C@H]2[C@H](O)C(F)(F)F)cc1OCc1ccc([N+](=O)[O-])cc1 537631846 ZJQXUIXDCVPGEZ-PXNSSMCTSA-N 440.418 4.070 5 20 IIBD CCO[C@@H](C)c1nc(CN2CCN(C(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)CC2)cs1 538765151 AWDSTAMIDCIHNH-KRWDZBQOSA-N 446.573 4.032 5 20 IIBD Cc1nnc(N(CCC(C)C)C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c2ccccc12 540104707 WRYGTKIOGZMVFW-UHFFFAOYSA-N 445.483 4.120 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2nncn2C2CC2)CC1 540773039 NZMFYGKNSHIKIZ-UHFFFAOYSA-N 429.546 4.433 5 20 IIBD COc1ccccc1-c1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1 541135607 BKUYWAVKDRHYHK-HNNXBMFYSA-N 449.463 4.095 5 20 IIBD CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C1CC1 542550240 HNGOOHRPCQRACN-BTYIYWSLSA-N 428.460 4.003 5 20 IIBD COc1ccc(NC(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)cc1[N+](=O)[O-] 542956996 HCHSZOZGLGGSII-UHFFFAOYSA-N 427.244 4.013 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccccc1C(=O)N1C[C@@H](C)C[C@H](C)C1 543288472 MBXURMKRBUMNQL-HOTGVXAUSA-N 440.500 4.043 5 20 IIBD C[C@@H](C(=O)Nc1ccc2c(c1)N(C(=O)C(C)(C)C)CCO2)c1ccc([N+](=O)[O-])cc1F 544431069 UGXJTTALWWTUQA-CYBMUJFWSA-N 429.448 4.248 5 20 IIBD COc1ccccc1OCc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])c(OC)c3)no2)o1 545051113 RCOJVQZCBMGHHV-UHFFFAOYSA-N 437.408 4.425 5 20 IIBD COC(=O)c1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c1C 545229548 MRKXWURXJZAMRC-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCO[C@H](c2ccc(F)cc2F)C1 548641934 BIWKICYXYZIGJK-QHCPKHFHSA-N 434.442 4.033 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCOC[C@@H]1[C@H]1CCCO1 553016381 UFMMFAUZADBVRT-RTBURBONSA-N 432.860 4.061 5 20 IIBD O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1n[nH]c2ccc([N+](=O)[O-])cc12 557174215 VUJYNYBKFXVJOT-SFHVURJKSA-N 448.401 4.388 5 20 IIBD O=C(CN[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 558863190 LKGTZWHZJHGHPC-LJQANCHMSA-N 437.374 4.022 5 20 IIBD CCOc1cc(CN2CCS[C@@H](C(C)C)C2)ccc1OCCn1c([N+](=O)[O-])cnc1C 560560000 BLEFQQCWBYKSNC-OAQYLSRUSA-N 448.589 4.151 5 20 IIBD CCCc1c(NC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cnn1-c1ccc(C)cc1 562570309 SWZINPBCJBXMPY-UHFFFAOYSA-N 433.472 4.239 5 20 IIBD CCn1cnnc1-c1cccc(NCc2cc(I)cc([N+](=O)[O-])c2)c1 572685781 IUUJDDAVKYMSIK-UHFFFAOYSA-N 449.252 4.090 5 20 IIBD O=C(CNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1cccc(F)c1 575895156 HMTWGOKAVZSZPK-UHFFFAOYSA-N 445.454 4.315 5 20 IIBD COC(=O)C[C@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(OC(F)(F)F)cc1 583908738 HHMRENLDRVLDAZ-PXAZEXFGSA-N 440.374 4.018 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CN2CCCO[C@H](c3ccccc3)C2)c1 589252916 CLBQWXZMQRYFIN-SFHVURJKSA-N 438.265 4.163 5 20 IIBD CC(=O)NCCCc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3F)n2)cc1 603933244 WHUJXZYBQOPNTA-UHFFFAOYSA-N 442.472 4.178 5 20 IIBD CC(C)N(C)CC1CCN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 604445464 GPDIGAFNVOYXCQ-SFHVURJKSA-N 439.560 4.355 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)cc1 609108310 ZFNMPJGOBHDLNK-UHFFFAOYSA-N 428.904 4.052 5 20 IIBD CC[C@H](C)[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)C(=O)Nc1cccc(N2CCCC2)c1 609174697 UQWNLSCZHGJZOT-LIRRHRJNSA-N 430.530 4.040 5 20 IIBD O=C(NCc1ccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1)c1ccc(C(F)(F)F)cc1 609347148 XULJAKNEXXEQED-UHFFFAOYSA-N 432.358 4.124 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609761862 FCPSSJXYKLBKOO-AWEZNQCLSA-N 448.479 4.281 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NC[C@@H]3CCCO[C@@H]3C(C)(C)C)cc2)c(C)c1[N+](=O)[O-] 609819885 FVFGUTDMDOZGDU-FPOVZHCZSA-N 428.533 4.028 5 20 IIBD CN(Cc1cc(Br)cs1)C(=O)c1ccc([N+](=O)[O-])cc1Br 610039822 BPBHCASUXIRLNE-UHFFFAOYSA-N 434.109 4.454 5 20 IIBD COc1cc(C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc([N+](=O)[O-])c1OC 610197505 RIKWBWCTKJGACZ-QGZVFWFLSA-N 441.267 4.133 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3C[C@H](C)CCC[C@@H]3C)cc2)cc1[N+](=O)[O-] 610200712 KNQQILOEWQMIRF-WBVHZDCISA-N 445.541 4.355 5 20 IIBD COc1cc(CNc2cccc(Cn3cccn3)c2)c([N+](=O)[O-])cc1OCC(F)(F)F 610909706 QFKMYWZUKBDFRY-UHFFFAOYSA-N 436.390 4.401 5 20 IIBD O=C(NCCn1c(O)nc2ccccc21)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611211795 GZTJMKLJUVRVEX-UHFFFAOYSA-N 426.498 4.115 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2cc(F)cc(Br)c2)no1 612899783 GFJRGZQEKJISBU-VIFPVBQESA-N 435.209 4.037 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(Cc2c[nH]c3cc(Cl)ccc23)no1 612921607 HBMZSHGYFQSPHL-LLVKDONJSA-N 425.832 4.194 5 20 IIBD COc1cc(CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c([N+](=O)[O-])cc1OC(F)F 619255388 WUEUNTAQJFXEBY-UHFFFAOYSA-N 447.177 4.308 5 20 IIBD Cc1c(Cl)cccc1-n1c(Sc2c([N+](=O)[O-])ncn2C)nnc1-c1ccncc1 619669520 GAVWZLCVROWHIR-UHFFFAOYSA-N 427.877 4.084 5 20 IIBD C[C@H](NC(=O)COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 725935391 OZUUHBOEYXMDFJ-QMMMGPOBSA-N 433.194 4.214 5 20 IIBD CCc1ccc([C@@H](C)NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1 725985321 KQVQLEOCQFOXBB-CHWSQXEVSA-N 449.301 4.342 5 20 IIBD CN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@H](c1cccc(F)c1)c1cnn(C)c1 726367664 FWJDVIRYYSCFEV-GOSISDBHSA-N 447.264 4.092 5 20 IIBD O=C(C[C@@H](c1ccccc1)C(F)(F)F)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 728770395 NSUMQMOKXXKQGK-SFHVURJKSA-N 437.418 4.486 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)[C@@]12CCC(=O)N1c1ccccc1S2 729117220 HWVJYJLKTUAQHR-NRFANRHFSA-N 428.466 4.054 5 20 IIBD COc1ccc(/C=C(\Cl)c2nnc(C(=O)NCc3ccc(F)cc3)s2)cc1[N+](=O)[O-] 730149815 KWJDJRXCRDDKCV-ZSOIEALJSA-N 448.863 4.261 5 20 IIBD Cc1nc(CCC(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)oc1-c1ccccc1 730335725 MQNLYMZAQIDERG-INIZCTEOSA-N 437.452 4.370 5 20 IIBD O=C(NCCc1ccc(Br)cc1F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 730972828 CTCIBDZFUOVGPN-UHFFFAOYSA-N 436.281 4.069 5 20 IIBD Nc1ccc(C(=O)Nc2nc(-c3cc(Br)cs3)cs2)cc1[N+](=O)[O-] 733185306 YESYLQZNGXVNRA-UHFFFAOYSA-N 425.289 4.377 5 20 IIBD CC(C)c1cnc(COC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)o1 733379004 BRSSLQWISMEANL-UHFFFAOYSA-N 437.452 4.360 5 20 IIBD C[C@H](OC(=O)c1ccc2nc(C(F)F)[nH]c2c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 733538859 SEAQESRKOTTYCY-QMMMGPOBSA-N 438.774 4.246 5 20 IIBD CCNC(=O)c1ccc(OC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 734777200 CWPMUENSIOJCIE-OAHLLOKOSA-N 434.452 4.132 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)OC[C@@H]2CC(=O)N(C)[C@H]2c2cccc(Cl)c2)c1 737377067 BCCROUVBSLNPKW-DJJJIMSYSA-N 434.901 4.347 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NC[C@@H](O)c2ccccc2Cl)cc1[N+](=O)[O-])c1ccccn1 740932497 JZDQSVVJNURLFI-SPLOXXLWSA-N 440.887 4.280 5 20 IIBD CCc1cnc(CNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 742806019 UISHNGCNFIRILE-UHFFFAOYSA-N 444.900 4.449 5 20 IIBD CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 743121944 NKEZJJDRHXBAGR-CVEARBPZSA-N 436.468 4.478 5 20 IIBD C[C@H](OC(=O)[C@H]1CCCCN1Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 745102792 AYDDVYKSZAMJRT-MGPUTAFESA-N 445.903 4.173 5 20 IIBD C[C@@H](CCc1ccc(Br)cc1)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 745773074 HKISCAXVSVBNAC-LBPRGKRZSA-N 425.254 4.013 5 20 IIBD CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1C 747124351 AGZDFYSSRVKXTL-LLVKDONJSA-N 426.347 4.189 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c(F)c1 747956514 HFPUNGNBLFFTBD-GFCCVEGCSA-N 429.429 4.350 5 20 IIBD CCN(CC)c1ccc(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cn1 749420620 BTGSOHCSFVSTMP-UHFFFAOYSA-N 441.713 4.182 5 20 IIBD CCCCN1C(=O)CC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]1c1ccccc1OC 750549174 PMPYTDIADNRKQR-JTSKRJEESA-N 443.475 4.461 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1[C@H](C)NC(=O)OC(C)(C)C 750575820 BEVAAPHCMFFXGU-MPGHIAIKSA-N 437.562 4.370 5 20 IIBD CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1 753432904 ODUXBKPDEMVEGS-LBPRGKRZSA-N 449.257 4.052 5 20 IIBD Cc1c(Br)cc(C(=O)N[C@@H](C)C[C@H](O)c2ccc(F)cc2)cc1[N+](=O)[O-] 753657654 XWGFCAWMOZKBIH-BTDLBPIBSA-N 425.254 4.047 5 20 IIBD Cc1c(Br)cc(C(=O)N[C@H](C)C[C@H](O)c2ccc(F)cc2)cc1[N+](=O)[O-] 753657660 XWGFCAWMOZKBIH-QGHHPUGFSA-N 425.254 4.047 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 754432026 JGGUIHMMONWIQT-UHFFFAOYSA-N 429.429 4.274 5 20 IIBD C[C@H](OC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1)c1ccccc1[N+](=O)[O-] 755760383 FLAOERAYVWPGKO-SCLBCKFNSA-N 447.285 4.153 5 20 IIBD Cc1cc(S(=O)(=O)N2CCC[C@H]2c2c(C)nn(CC(C)C)c2Cl)ccc1[N+](=O)[O-] 759803447 KIZMCJMKHQAVAY-KRWDZBQOSA-N 440.953 4.243 5 20 IIBD O=C1Nc2cc(Cl)ccc2C1=C1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 763224844 PZFVYNQRJMBHSN-UHFFFAOYSA-N 436.855 4.371 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1c(Cl)cc(F)cc1Cl 763540917 MFLKXBXNDKACKQ-MRVPVSSYSA-N 431.203 4.233 5 20 IIBD O=C(O[C@H]1CCO[C@H](C2CCOCC2)C1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 765638140 HCTNVIJRVFUYJN-REWPJTCUSA-N 440.496 4.338 5 20 IIBD O=C(OCCCc1cnc2ccsc2c1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 767007642 NEFHGZALQZPZFP-OAHLLOKOSA-N 445.522 4.047 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCc1ccc(Cl)cc1C 769067583 ZKVLEZZEXCKYPR-GOSISDBHSA-N 436.917 4.152 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N(CCc1ccccc1)Cc1cccnc1 771178352 DYAWJVCQSXBJNC-UHFFFAOYSA-N 447.463 4.235 5 20 IIBD CCN(C(=O)[C@@H](C)OC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccccc1 773606088 ZGOSLZOUFAXPHJ-SNVBAGLBSA-N 427.276 4.017 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] 774199436 KSFOLKGKUCMMJD-FVMDXXJSSA-N 429.217 4.142 5 20 IIBD COc1c([N+](=O)[O-])cc(NCc2ncc(-c3ccccc3)[nH]2)c([N+](=O)[O-])c1Br 774524396 RZMPUDKEZICKQW-UHFFFAOYSA-N 448.233 4.276 5 20 IIBD CCN(CC)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C 775471968 AMKYAVQQWRZTGY-FQEVSTJZSA-N 443.569 4.305 5 20 IIBD O=[N+]([O-])c1ccc([C@@H](O)CSc2nnc(-c3ccncc3)n2Cc2ccccc2)cc1 776270640 FCFZKDGTGOIVNO-FQEVSTJZSA-N 433.493 4.122 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(NC(=O)c2ccccc2)c1C 777922319 JEPMGFVBWGFTCV-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 777999537 GAJOLUXWZYIIAY-UHFFFAOYSA-N 442.340 4.225 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)c1csc(-c2ccc(F)cc2)n1 778811832 SEEUPPWWPZPDOW-OAHLLOKOSA-N 431.420 4.432 5 20 IIBD C[C@H](OC(=O)[C@@H](c1cccc(Cl)c1)N(C)C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 780103100 SXQWJWNRHXNSLY-YVEFUNNKSA-N 430.848 4.205 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 780409049 UKVVJKZAKDBDSW-HNNXBMFYSA-N 437.562 4.474 5 20 IIBD Cc1cc(C)c(NC(=O)COC(=O)c2cccc([N+](=O)[O-])c2Br)c(Cl)c1 781674434 GHIMZZGWNMFTQM-UHFFFAOYSA-N 441.665 4.423 5 20 IIBD Cc1ccc2nc([C@H]3CCCN(C(=O)CCc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])C3)[nH]c2c1 782017754 CDSHLTQCJYRCNY-INIZCTEOSA-N 437.456 4.027 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCc1c(C(F)(F)F)nn(C)c1Cl 782320950 LVLGGCMPEAOUEQ-SSDOTTSWSA-N 442.177 4.165 5 20 IIBD Cc1cc(F)ccc1-n1ccc(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1 783288298 UPPPXVQJPLLSJG-GFCCVEGCSA-N 446.822 4.065 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 784940796 MUNOJFAERWXNCS-MRXNPFEDSA-N 440.308 4.157 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Nc2cccc(Br)c2)CC1 790213718 ZZMPPIZOSDLXHY-UHFFFAOYSA-N 447.333 4.140 5 20 IIBD CCOC(=O)/C(=C/c1ncc(-c2cccc(Br)c2)[nH]1)c1ccc([N+](=O)[O-])cn1 794949913 QSLPXRNSICLTFQ-OQLLNIDSSA-N 443.257 4.246 5 20 IIBD CS(=O)(=O)[C@H]1CCN(C(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)C1 800632248 HKNGUJIPUFELPD-IBGZPJMESA-N 433.529 4.192 5 20 IIBD CC(=O)Nc1cccc(N=c2scc(-c3cnccn3)n2Cc2ccc([N+](=O)[O-])cc2)c1 803178726 ZYTBKXKCGZYDQS-UHFFFAOYSA-N 446.492 4.154 5 20 IIBD CN(c1cccc(OC(F)(F)F)c1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] 815009147 CDIVLLDSGCAYLS-UHFFFAOYSA-N 428.747 4.111 5 20 IIBD COc1ccc2cc(CN(C)C(=O)[C@H](C)OC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)ccc2c1 822396950 PWFMWBZMNJMFAU-FUIJVIPGSA-N 448.475 4.360 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21 914760860 MKMUCSONIKGAPO-UHFFFAOYSA-N 445.475 4.092 5 20 IIBD COc1ccccc1[C@@H](CNc1ccc(C(C)=O)cc1[N+](=O)[O-])NC(=O)OC(C)(C)C 917088415 HYORRWDLIWZHPM-GOSISDBHSA-N 429.473 4.484 5 20 IIBD COc1cc(COC(=O)c2sccc2Br)c([N+](=O)[O-])cc1OC(F)F 917274625 OBTIWIYOEVIPIZ-UHFFFAOYSA-N 438.202 4.386 5 20 IIBD COc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 918677238 USSWSUCAFRWTTA-UHFFFAOYSA-N 439.855 4.439 5 20 IIBD C[C@H](OC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)c1ccccc1[N+](=O)[O-] 920268062 MRHUOFZQUAKZKL-GXTWGEPZSA-N 433.258 4.015 5 20 IIBD CCc1cc(=N[C@H](C)c2ccc(N3CCOC3=O)cc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 920959822 ISJVEGSPVFLSNJ-OAHLLOKOSA-N 433.468 4.166 5 20 IIBD O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1F 921160787 IJKCCQMCLDTWCS-INIZCTEOSA-N 426.231 4.284 5 20 IIBD C/C(=C/C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccc(F)cc1 921276862 KKBWFKUXRPBRJO-BENRWUELSA-N 447.469 4.065 5 20 IIBD C[C@@H]1CCCCN1CCOc1ccccc1-c1nnc(COc2ccccc2[N+](=O)[O-])o1 1117215228 WFBNJDXKSBHFNT-QGZVFWFLSA-N 438.484 4.477 5 20 IIBD O=C(OCC(=O)c1ccc(Br)s1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 1319563953 BIOPUUPGGGZBCT-UHFFFAOYSA-N 438.177 4.477 5 20 IIBD CCCN(Cc1nc(O)c2sccc2n1)C(=O)[C@@H](CC)Cc1ccc([N+](=O)[O-])cc1 1321171759 MQISNFMDEMFJNC-HNNXBMFYSA-N 428.514 4.313 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])c1nnc(-c2ccccc2Cl)n1C[C@H]1CCOC1 1324677851 UCHZBZXVGVVIBO-MRXNPFEDSA-N 441.919 4.222 5 20 IIBD CC(C)CCSc1ccc(C(=O)N[C@H](C(N)=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 1338389440 OOUAHGGDCRFUME-SFHVURJKSA-N 435.933 4.343 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1nnc(-c2ccncc2)s1 1340682914 RBJOTKWDRFPYSW-UHFFFAOYSA-N 441.416 4.258 5 20 IIBD CO/C=C(\C)C(=O)NC1(c2ccc(NC(=O)c3c(F)ccc([N+](=O)[O-])c3C)cc2)CCC1 1790772083 BIXJINHXOBKUGK-BUHFOSPRSA-N 441.459 4.340 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)Nc1ccc(C2(NC(=O)c3[nH]ccc3C)CCC2)cc1 1790806720 YHTJHLLYWFIIKZ-UHFFFAOYSA-N 448.479 4.307 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@H]1C[C@@H]1c1ccccc1 1804345130 WSJFAQNSVWYNAW-CMNNGXQRSA-N 445.519 4.050 5 20 IIBD Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3ccc([N+](=O)[O-])o3)[nH]n2)cc1 1820592719 GUHLTAWPEPJJJL-SINXNMPMSA-N 449.467 4.239 5 20 IIBD Cc1cc(C)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)c1 1829834486 NXQNKXQLOUVMSD-NRFANRHFSA-N 438.528 4.087 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2)CC1 1829871154 PHLXEBFZAUOJIY-FKVRIVCVSA-N 437.496 4.135 5 20 IIBD Cc1cc(Cl)ccc1C(=O)N1CCCC12CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])C2 1841154185 HSEOIYOXKDVKLT-JXMROGBWSA-N 439.899 4.087 5 20 IIBD COC(=O)c1cc(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)cc([N+](=O)[O-])c1 10692591 LUPLYMXTBZIWHK-NRFANRHFSA-N 443.459 4.425 5 20 IIBD O=C(/C=C/c1nc2ccccc2s1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 15033805 LDJVOWJMSCYKMV-BQYQJAHWSA-N 436.415 4.465 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cc(Cl)ccc1[N+](=O)[O-] 16496585 CMPIXFFSRMEOKX-UHFFFAOYSA-N 432.742 4.017 5 20 IIBD Cc1nc(-c2ccc(NC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)cc2)cs1 16506153 GAEFIEQQZYKKGW-UHFFFAOYSA-N 438.465 4.354 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 18018131 MRYJCSNGZMYCPR-LBPRGKRZSA-N 429.429 4.350 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])NCc1cn(-c2ccccc2)nc1-c1ccccc1 18157410 HFYNBGUDKUSDKB-UHFFFAOYSA-N 428.448 4.143 5 20 IIBD C[C@@H](OC(=O)Cc1ccccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 20991209 ACIFVBVRUNDIBP-SNVBAGLBSA-N 430.766 4.380 5 20 IIBD Cc1cc(Cl)ccc1OCC(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 24766286 AFGHZKOXQIJIHV-UHFFFAOYSA-N 446.765 4.136 5 20 IIBD Cc1ccc2c(CC(=O)OCC(=O)Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])coc2c1 24771860 JFZHEXWTTJUSCR-UHFFFAOYSA-N 436.342 4.393 5 20 IIBD Cc1noc(COC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)n1 27006406 VYRKQZWRRHYNSY-UHFFFAOYSA-N 428.451 4.404 5 20 IIBD CCOC(=O)c1cnn(-c2cccc(NC(=O)c3cc(SC)ccc3[N+](=O)[O-])c2)c1C 33178540 WXYSJERZGGSEKP-UHFFFAOYSA-N 440.481 4.240 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2cc3ccccc3c3cccnc23)c1 58916316 GUBZUFLTQYEGNL-UHFFFAOYSA-N 449.532 4.376 5 20 IIBD CCCOCc1ccccc1CNc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] 59392167 YJKSRNVMBDMFTR-UHFFFAOYSA-N 447.557 4.308 5 20 IIBD O=C(Nc1ccccc1I)c1cc(Br)cc([N+](=O)[O-])c1 160087077 TUALNKWTCLOBEL-UHFFFAOYSA-N 447.026 4.214 5 20 IIBD COc1ccc([C@@H](NCc2ccc(C)c([N+](=O)[O-])c2)c2cccc(S(C)(=O)=O)c2)cc1 237269155 ZRGVHLUPNYLUKO-HSZRJFAPSA-N 440.521 4.195 5 20 IIBD Cc1cnc(Sc2nnc(CN3CCCCC3)n2-c2ccc(F)cc2)c([N+](=O)[O-])c1 301458472 SVNBQJTVBXEZLV-UHFFFAOYSA-N 428.493 4.155 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@@H]2CCOC(C)(C)C2)c([N+](=O)[O-])c1 301838915 ZHRBDZMGXYSTEQ-MRXNPFEDSA-N 433.530 4.180 5 20 IIBD O=C(c1ccc(NCC2(c3ccc(F)cc3Cl)CC2)c([N+](=O)[O-])c1)N1CCOCC1 301906302 ZEAPMFHSIMZVOA-UHFFFAOYSA-N 433.867 4.003 5 20 IIBD Cc1cc(N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)c2cc([N+](=O)[O-])ccc2n1 302065336 AOTLYXAACYAZLZ-UHFFFAOYSA-N 436.487 4.432 5 20 IIBD CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 303831569 ZVRRWNIUNWMQGR-DOTOQJQBSA-N 447.333 4.034 5 20 IIBD CN(C)Cc1ccc(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1F 426987579 UKOQAXKEGGSQLC-UHFFFAOYSA-N 437.471 4.305 5 20 IIBD Cc1cc(NC(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)ccc1Oc1ccncc1 427234332 LBNSHBIVNWJVAW-UHFFFAOYSA-N 446.463 4.220 5 20 IIBD O=C(c1cc(NC[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)ccc1[N+](=O)[O-])N1CCCC1 428679481 INIOPQDQMYJYIW-UPVQGACJSA-N 441.503 4.156 5 20 IIBD CC(C)(C)OC(=O)[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 430477242 MCXFPQPQJACNPB-INIZCTEOSA-N 435.274 4.170 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC=C(c2c[nH]c3ncccc23)CC1 431159489 OYJSCODWXWMBKC-UHFFFAOYSA-N 427.258 4.163 5 20 IIBD Cc1ccc(Cc2cnc(NC(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)s2)cc1F 436096808 AFYQZLLAJKMJKA-UHFFFAOYSA-N 440.460 4.288 5 20 IIBD COc1cccc([C@@H](CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)N2CCCC2)c1 437702290 ZJPZJEIFRLRYPC-HSZRJFAPSA-N 438.528 4.115 5 20 IIBD CCOc1cccc(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1OC(F)F 437981910 CUWBKZPPYMMZAA-UHFFFAOYSA-N 435.427 4.469 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N(C)Cc2ccccc2Cl)cc1[N+](=O)[O-] 439246462 NCCPTUQDJBVUJF-UHFFFAOYSA-N 433.711 4.140 5 20 IIBD CC[C@@H](Cc1ccccc1)N(CC)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 441469034 WXCYZNUFOVQXRG-HNNXBMFYSA-N 435.427 4.005 5 20 IIBD COCCCOc1cc(C)ccc1CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444232250 OWFOVDSVPLIELH-UHFFFAOYSA-N 448.494 4.474 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H](C)Oc3ccc(Br)cc3)n2)c1 445572998 FXFSZVOGWJQLPH-LLVKDONJSA-N 434.246 4.480 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(CC(F)(F)F)[C@H]1CCCOC1 446218447 SAUBBIDVRYMYDD-NSHDSACASA-N 446.369 4.276 5 20 IIBD Cc1cccc(C)c1NC(=O)CN(C)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] 447673145 WTULCCSEGMRBKE-UHFFFAOYSA-N 432.349 4.336 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1 460264651 PLHFORKHTUHPLC-CYBMUJFWSA-N 440.843 4.302 5 20 IIBD CCc1ccc(-c2nnc(N3CCc4ccc([N+](=O)[O-])cc4C3)n2C[C@@H]2CCOC2)cc1 461390055 WCOWFMBUIAZDLH-SFHVURJKSA-N 433.512 4.015 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(SCC(=O)OC(C)C)c([N+](=O)[O-])c2)c(C)c1 462873426 IVUQDAAREHWNME-UHFFFAOYSA-N 438.527 4.056 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 462922667 BENBTTWXMHTIEJ-INIZCTEOSA-N 444.919 4.089 5 20 IIBD CN(CC(=O)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] 463121053 YNKQPMWDNQRJCX-HXUWFJFHSA-N 447.470 4.078 5 20 IIBD O=C(CCC1CCOCC1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 463132764 CDRWDWXVPGAQCR-UHFFFAOYSA-N 443.569 4.174 5 20 IIBD NC(=O)[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccc(F)cc1 463745306 MIESXVXGUITFMA-GOSISDBHSA-N 448.248 4.073 5 20 IIBD C[C@@H](NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1cc(F)c(Cl)cc1Cl 465055210 DMIOIQUHXKORNA-SECBINFHSA-N 429.231 4.232 5 20 IIBD Cc1ccc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC[C@H]2CCCO2)c1 466639317 KODSXKWWJMZFNI-MAUKXSAKSA-N 448.903 4.198 5 20 IIBD COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c(I)c1 468116746 HYKKDKWIMNKLPP-UHFFFAOYSA-N 449.204 4.009 5 20 IIBD O=C(NCCc1ncc[nH]1)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 469186889 ODFVSWKXVJIWEE-UHFFFAOYSA-N 436.415 4.460 5 20 IIBD COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 470500742 OPSAADBAIMZGAZ-OAHLLOKOSA-N 448.907 4.016 5 20 IIBD O=C(c1c[nH]c2ncc(Br)cc12)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 472213758 QBLYJEKMVIZYTO-KRWDZBQOSA-N 433.287 4.121 5 20 IIBD COc1cccc([C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)c2cc(F)ccc2OC)c1 472958518 YZQHDEXBCARJJU-JOCHJYFZSA-N 439.443 4.340 5 20 IIBD COC1CCN(C2(CNC(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CCCC2)CC1 475219103 IBFOHNSXSZLZIQ-UHFFFAOYSA-N 444.454 4.159 5 20 IIBD CC[C@H](C)n1ncc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1C1CC1 477565789 DMPZHCPETXGYNR-MGPUTAFESA-N 439.516 4.191 5 20 IIBD COc1cc(C(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc([N+](=O)[O-])c1C 478493879 UKBAFQGXMKVUQJ-CQSZACIVSA-N 432.782 4.047 5 20 IIBD CCOc1cc(OCC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)ccc1[N+](=O)[O-] 478736691 TWJULJINDOHRPF-QGZVFWFLSA-N 441.465 4.405 5 20 IIBD Cc1cnc(OCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)c([N+](=O)[O-])c1 481745621 PFLFCDIKKHVJBF-CQSZACIVSA-N 428.495 4.178 5 20 IIBD CCN(Cc1cccc(Br)c1)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 482368698 VFFTWHXMCJBAFS-UHFFFAOYSA-N 444.285 4.333 5 20 IIBD COc1ccc(CSCC(=O)NCc2ccccc2N2CCCCC2)cc1[N+](=O)[O-] 482370723 QWTAVSOOKGWCPU-UHFFFAOYSA-N 429.542 4.143 5 20 IIBD CSc1ccc(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)cc1[N+](=O)[O-] 485661416 USAHNTBYLHDJHY-CQSZACIVSA-N 436.331 4.088 5 20 IIBD COc1cc(CNC(=O)c2cccc(SC)c2[N+](=O)[O-])ccc1OCC(F)(F)F 485730440 FPIKYPMDVNYRFJ-UHFFFAOYSA-N 430.404 4.196 5 20 IIBD CC(C)(NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(Br)cc1 485895606 UWZCTLIXCCFXJZ-UHFFFAOYSA-N 429.274 4.208 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(Cc2cccnc2)CC1 486841629 GFOYQAUBOSSXBI-UHFFFAOYSA-N 428.558 4.132 5 20 IIBD COc1ccc(CNC(=O)Nc2cccc3cc(Br)cnc23)cc1[N+](=O)[O-] 486932598 IFYLALBEBCBFER-UHFFFAOYSA-N 431.246 4.236 5 20 IIBD Cc1ccc([C@H](C)NC(=O)CCSCc2nc(O)c3ccccc3n2)cc1[N+](=O)[O-] 488031269 KQHUFBUKIJYATE-AWEZNQCLSA-N 426.498 4.053 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)cc1OC 489298089 QRZXQXRZIYKVDE-UHFFFAOYSA-N 436.877 4.370 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2ccc(C)c(F)c2)nnc1-c1ccc([N+](=O)[O-])cc1 489388738 NLTADAVZIVRGAX-CYBMUJFWSA-N 429.477 4.440 5 20 IIBD C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 489516844 UFAWWIANVUHIQE-RHSMWYFYSA-N 434.443 4.228 5 20 IIBD O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)c1ccc([N+](=O)[O-])c2cccnc12 498177787 CDMFXFUAUMFYEN-UHFFFAOYSA-N 434.839 4.259 5 20 IIBD COc1cc(Br)cc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 498802273 HJNMPPXWXUQSAR-UHFFFAOYSA-N 430.052 4.381 5 20 IIBD Cc1cn(-c2ccc(Cl)cc2)nc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 499495649 QQLBBHBUUFYGJP-UHFFFAOYSA-N 443.872 4.091 5 20 IIBD COc1cc([C@H](C)NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCCC(C)C 501451695 JJSZCCQWPPIPGA-HNNXBMFYSA-N 444.484 4.291 5 20 IIBD CCN([C@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 503503009 HKPIIFFOQWLBIY-HSZRJFAPSA-N 439.537 4.282 5 20 IIBD O=C(Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)c1ccc([N+](=O)[O-])cc1Br 505174049 YKDILGJRMHHQNI-ZWKOTPCHSA-N 435.274 4.292 5 20 IIBD COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1c(C)ccc([N+](=O)[O-])c1C 508221612 KMESQWLQNXUDNI-UHFFFAOYSA-N 433.269 4.106 5 20 IIBD CCn1c([C@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)nc2ccccc21 509636603 SNNDJVQRWDBEAK-QGZVFWFLSA-N 434.905 4.144 5 20 IIBD CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccc(OCC(F)(F)F)cc1 511092105 OQBOZZNILMTFOU-UHFFFAOYSA-N 431.798 4.260 5 20 IIBD CCCN(C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)[C@H](C)c1cc2ccccc2o1 513229768 FKESFKCNGQJLKS-CQSZACIVSA-N 430.482 4.358 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CCC[C@H](COc3ccccc3Cl)C2)cc([N+](=O)[O-])c1 513880128 QWJGJJGXIAXMTE-HNNXBMFYSA-N 446.887 4.356 5 20 IIBD COCCCn1c(Sc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(OC)c(OC)c1 514653264 LVVGSCDWTXUQLU-UHFFFAOYSA-N 430.486 4.058 5 20 IIBD O=C(Nc1ccc(OC(F)F)c(Cl)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 515105546 WBFDYROYLJGRMA-UHFFFAOYSA-N 426.807 4.204 5 20 IIBD CC(C)Oc1ccc([C@H](CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 517198523 HJEJXSXGUNLOIO-QHCPKHFHSA-N 437.544 4.175 5 20 IIBD CN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 517488545 DEPZHXOZVBANGI-QGZVFWFLSA-N 425.304 4.055 5 20 IIBD Cc1c(NC(=O)C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)cccc1[N+](=O)[O-] 518553666 DJSKHQCTRSNDRH-UHFFFAOYSA-N 425.391 4.026 5 20 IIBD COc1ccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1OCc1cccnc1 519134111 IKVGCZIZRQDFBI-UHFFFAOYSA-N 445.435 4.015 5 20 IIBD C[C@H]1CSc2ccc(Br)cc2[C@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 519148833 ZACCKHPNVCEWJP-QFYYESIMSA-N 443.344 4.119 5 20 IIBD COc1ccc(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)cc1[N+](=O)[O-] 521885736 VLZIUYVMQFTFBA-UHFFFAOYSA-N 446.463 4.446 5 20 IIBD O=C(Cc1csc(-c2ccc(Cl)cc2)n1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 522928488 GNZGBZKFANEDCJ-OAHLLOKOSA-N 443.916 4.022 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)cc1[N+](=O)[O-] 523093228 PDHRSQILPWJGIN-FUHWJXTLSA-N 437.525 4.016 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]1c1ccc2c(c1)OCCO2 523485292 PTKALINNLHUFNK-INIZCTEOSA-N 433.258 4.106 5 20 IIBD C[C@H]1CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CCN1CC(F)(F)F 534233409 DPPZPDZOEPWKEX-AWEZNQCLSA-N 438.406 4.487 5 20 IIBD Cc1ccccc1-c1cnc(CS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])o1 535263809 DOABQOLDINEVBW-UHFFFAOYSA-N 437.271 4.295 5 20 IIBD O=C(Nc1cccc2c1CN(c1ccccn1)C2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 536044466 ZYPONBCKAZOOGJ-UHFFFAOYSA-N 429.480 4.363 5 20 IIBD CCOc1cc(C(=O)N(C)C)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C 537155685 YRZJZZLLGCHJJX-UHFFFAOYSA-N 431.514 4.448 5 20 IIBD O=C(N[C@H]1CCO[C@]2(CCOC2)C1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 538901185 CVTYSUCNKWBXLW-YCRPNKLZSA-N 448.928 4.467 5 20 IIBD COc1ccc2c(c1)OC[C@@H]2CC(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 540450508 UAHYONULMGSVPS-ZDUSSCGKSA-N 425.466 4.256 5 20 IIBD COc1ccc2c(c1)CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](c1ccccc1)C2 542278594 AGONOYKCWGLVKT-XUZZJYLKSA-N 434.492 4.143 5 20 IIBD CC(C)[C@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccc(Cl)cc1F 543778348 CWQMSXWVYKZDKI-IBGZPJMESA-N 435.887 4.011 5 20 IIBD CC1CCN(c2ccc(C(=O)N(C)c3ncccc3Br)cc2[N+](=O)[O-])CC1 544106890 HAPRPERONILHNJ-UHFFFAOYSA-N 433.306 4.265 5 20 IIBD C[C@@H](Sc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C)c1nnc(-c2cccc(Cl)c2)o1 545111439 XTHHDYKCNDJEGN-SNVBAGLBSA-N 443.872 4.398 5 20 IIBD COc1cc(Cc2noc(CSc3ccc(C(F)(F)F)cn3)n2)ccc1[N+](=O)[O-] 546492089 XLPIIMQLWBLRPY-UHFFFAOYSA-N 426.376 4.283 5 20 IIBD O=C(Nc1ccc(N2CCOCC2)c2ccncc12)c1cc([N+](=O)[O-])ccc1C(F)(F)F 549518417 MMIMQWOPLCCOCB-UHFFFAOYSA-N 446.385 4.251 5 20 IIBD C[C@@H](NC1(Cc2cccc(F)c2)CCOCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 549885094 ZHIJIQMJRVMQEB-OAHLLOKOSA-N 426.448 4.226 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N(CC(F)F)c2cccc(Cl)c2)c2ncccc12 549998687 VAVIGEQBSHIECS-UHFFFAOYSA-N 427.816 4.257 5 20 IIBD CC[C@H]1CN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C[C@@H]1O 551467917 UQUSEXAXXFAJEY-LRDDRELGSA-N 429.523 4.199 5 20 IIBD COc1cccc(Oc2ccc(CNC(=O)N(C)CCc3ccccc3[N+](=O)[O-])cn2)c1 553803139 PELVSAPGOMCCTC-UHFFFAOYSA-N 436.468 4.175 5 20 IIBD O=C(CN1CCC[C@H]1c1ccc(Br)cn1)Nc1ccc(Cl)cc1[N+](=O)[O-] 555510168 HAPXYJOPJYFURH-HNNXBMFYSA-N 439.697 4.181 5 20 IIBD COc1ccc(NC(=O)COc2cc(F)c(Br)cc2Cl)c([N+](=O)[O-])c1 558756211 YKPNJRTZKMJBKW-UHFFFAOYSA-N 433.617 4.176 5 20 IIBD COc1cc(CCNC(=O)N(C)Cc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC 561060031 BXZCQJTWHDDKEX-UHFFFAOYSA-N 441.406 4.015 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](CN(C)C)c2ccc(Cl)cc2)cc1SC 565443192 JAQGLTSVYQCBGY-CQSZACIVSA-N 437.949 4.054 5 20 IIBD O=C([C@@H]1CCC[C@@H]2CCCC[C@H]21)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 566753748 AYHQCDMYSLVHKC-QXAKKESOSA-N 425.533 4.116 5 20 IIBD Cc1c(C[S@@](C)=O)cccc1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 566929034 KFXNTVYOPBMLCP-RUZDIDTESA-N 425.304 4.105 5 20 IIBD O=C(Nc1cccc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1)c1ccc(F)cc1 570514428 HYBLQUGRHCACDH-NHCUHLMSSA-N 437.475 4.456 5 20 IIBD C[C@@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1F 572322286 SRKJNPXVHGYHMD-LLVKDONJSA-N 447.264 4.388 5 20 IIBD Cc1cc(Cl)ccc1OCCCc1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1C 573250619 UUUMJLZWDDUMSM-UHFFFAOYSA-N 441.919 4.259 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NC[C@H]2CCCSC2)cc1[N+](=O)[O-] 577911701 ZZUOVUIZXSLTKJ-CQSZACIVSA-N 430.551 4.421 5 20 IIBD CC1CCN([C@H](CN[C@@H](c2ccc([N+](=O)[O-])cc2)c2nccn2C)c2ccccc2)CC1 581899898 PJSLXXIGANAUIY-RPWUZVMVSA-N 433.556 4.481 5 20 IIBD CN(C(=O)[C@H](Cc1ccccc1)Nc1ncnc2sc([N+](=O)[O-])cc12)c1ccccc1 584487305 XIRUSTVDZBNAEL-SFHVURJKSA-N 433.493 4.286 5 20 IIBD CN1CCC(N2CC[C@H](N(C)Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2)CC1 589195634 NOOHKJKZDWJSKZ-SFHVURJKSA-N 432.952 4.109 5 20 IIBD CC(=O)Nc1cccc(NC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c1C 603654592 DTHZITKCCLCQBK-IBGZPJMESA-N 442.472 4.066 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(OCC(=O)Nc2ccccc2Oc2ccc(C)cc2)c1 603677406 LVABARIAROHCPE-UHFFFAOYSA-N 436.420 4.500 5 20 IIBD Cc1sc2ncn(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)c(=O)c2c1-c1ccccc1 603677594 SGSQTXXKTAWDLM-UHFFFAOYSA-N 445.460 4.440 5 20 IIBD O=C(Nc1nnc(Cc2ccccc2)s1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 603727657 JPOQGSDIZNCAKP-UHFFFAOYSA-N 438.387 4.231 5 20 IIBD CCOc1cccc2cc([C@H](C)NC(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)oc12 603797675 MLZNUEOECVUPSH-INIZCTEOSA-N 438.484 4.333 5 20 IIBD COc1ccc(Oc2cc(CNc3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])ccn2)cc1 603866577 ZQGZNZXLDPEJHS-UHFFFAOYSA-N 434.452 4.295 5 20 IIBD CS(=O)(=O)c1ccc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cn1 603961004 CQZACNABQAUVNB-UHFFFAOYSA-N 447.856 4.091 5 20 IIBD C[C@H](NC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1)c1cccc([N+](=O)[O-])c1 603966684 INFDXIDUPIAIKI-NYHFZMIOSA-N 431.448 4.028 5 20 IIBD CN(Cc1nnc2n1CCC2)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 604351457 FMEKVZFARHNUAI-UHFFFAOYSA-N 443.916 4.209 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)cc1[N+](=O)[O-] 604573346 JRHZECKVBWRLJO-IBGZPJMESA-N 435.590 4.060 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ncccc2OC(F)F)cc1[N+](=O)[O-])c1ccccn1 609025331 DEIIUPNICYUJNE-LBPRGKRZSA-N 429.383 4.412 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCC(N2CCCC2=O)CC1 609191258 PWBFLYLLSPLRHO-UHFFFAOYSA-N 443.887 4.268 5 20 IIBD CC(C)n1ncc2ccc(NS(=O)(=O)c3cc(Br)cc([N+](=O)[O-])c3)cc21 609411245 MDNGMYWCNFQZOB-UHFFFAOYSA-N 439.291 4.089 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 609696212 OMRGGUJHOMIUBT-CVEARBPZSA-N 431.920 4.357 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1cccc2c1OCCO2 610105577 MAKYZODMCAZAIE-HXUWFJFHSA-N 425.485 4.235 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2ccc([S@](C)=O)cc2)cc1 610623150 CTCDUQJWUODDGC-HKBQPEDESA-N 440.477 4.063 5 20 IIBD COc1cc(CNc2cccc(C[S@](=O)Cc3ccccc3)c2)c([N+](=O)[O-])cc1O 610911312 DHYYQBJVAXPUBH-SSEXGKCCSA-N 426.494 4.370 5 20 IIBD COc1cccc(CC2CCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])CC2)c1 612335309 MOWUHANLMBQGNO-UHFFFAOYSA-N 433.302 4.461 5 20 IIBD CCOc1ccc(Br)cc1S(=O)(=O)Nc1cc(C)c([N+](=O)[O-])cc1C 616059532 FDHHZOAQTSQDIW-UHFFFAOYSA-N 429.292 4.174 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1nnc(Cc2cccc3ccccc23)o1 618610118 PSVFNCWGUOIIEZ-UHFFFAOYSA-N 444.856 4.176 5 20 IIBD O=C(NCc1ccccc1F)c1ccc(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 618618375 VERPKNXYTFXDAP-UHFFFAOYSA-N 437.427 4.047 5 20 IIBD COc1cccc2c1OCC[C@H]2NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 618645666 QZDKRWGMLSDABQ-HXUWFJFHSA-N 434.448 4.436 5 20 IIBD C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cccc(OCc2ccccn2)c1 725824047 LITSWUKEKNOMDZ-CQSZACIVSA-N 447.900 4.262 5 20 IIBD CC[C@H](C)n1ncc2c(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc(C)nc21 725957500 QURNJRDGBGRUNF-LBPRGKRZSA-N 445.863 4.068 5 20 IIBD O=C(CSC[C@H]1CCCCO1)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 727296134 UWVANGQMORVVOZ-LJQANCHMSA-N 430.482 4.055 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(Cc3csc(-c4ccccn4)n3)CC2)c(C(F)(F)F)c1 727437191 ILSPNAUUAQBREY-UHFFFAOYSA-N 449.458 4.454 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 727710249 KMHWTEDFPTXLDT-LBPRGKRZSA-N 441.793 4.254 5 20 IIBD O=C(NCCc1ccc(Br)cc1F)c1cc([N+](=O)[O-])ccc1Br 730972864 GROGOVOQIZZVCM-UHFFFAOYSA-N 446.070 4.231 5 20 IIBD Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)O[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 731514116 PDYAVAGUWJBWHN-JXFKEZNVSA-N 426.469 4.143 5 20 IIBD COc1ccc([C@H]2CCCCCN2C(=O)COC(=O)c2ccc([N+](=O)[O-])c(F)c2)cc1 731515993 DGRLFLLTTQEXKN-LJQANCHMSA-N 430.432 4.043 5 20 IIBD CCc1ccc(OC(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)c([N+](=O)[O-])c1 734739327 GLAGMWVJQBEFQP-MRXNPFEDSA-N 447.285 4.130 5 20 IIBD O=C(Oc1ccc2c(c1)OCCO2)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 735997009 ZNJBRYJCENKAOR-UHFFFAOYSA-N 436.207 4.078 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCCN(Cc2ccccc2)c2ccccc21 737621542 BPLZOVPMXYTJEP-UHFFFAOYSA-N 441.491 4.388 5 20 IIBD C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 738774972 GYUWTZJDUJQNCA-SCLBCKFNSA-N 436.386 4.141 5 20 IIBD CC[C@H](OC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1cccc(OC)c1 741133944 PGZVYHHBKMPHDK-KRWDZBQOSA-N 428.470 4.191 5 20 IIBD O=C(Nc1ccc(OC2CCCC2)c(F)c1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 742022978 GYAKCNYXONHCTH-ZDUSSCGKSA-N 445.422 4.186 5 20 IIBD Cc1cncc(C(=O)O[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)c1 742702636 HPLNBENDBWOUBF-IBGZPJMESA-N 425.828 4.488 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc(OCc3ccccc3)ccn2)cccc1[N+](=O)[O-] 745649533 WNGVKDSDWQKAEB-MRXNPFEDSA-N 435.436 4.061 5 20 IIBD C[C@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@H](OC1CCOCC1)c1ccccc1 747416701 SMGLHUKFTXDPAU-BTYIYWSLSA-N 447.919 4.373 5 20 IIBD COC(=O)C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1cccs1 749410975 SJHGIUFIIMGTOS-JTQLQIEISA-N 447.694 4.106 5 20 IIBD O=C(Nc1nnc(-c2ccccn2)s1)c1cc(Br)cc([N+](=O)[O-])c1Cl 750854827 WEWBWZGCKJVREN-UHFFFAOYSA-N 440.666 4.177 5 20 IIBD COC(=O)[C@@H](OC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cccc(Cl)c1 750963753 IEIQYARDJDXBCO-AWEZNQCLSA-N 428.622 4.082 5 20 IIBD Cc1ccc(O[C@H](C)C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)c(Br)c1 751651123 DQFDXDAJBSSKDE-LLVKDONJSA-N 435.230 4.318 5 20 IIBD C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 752321621 HUIBJRIHDNSWCJ-KBPBESRZSA-N 446.529 4.094 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccc4cc([N+](=O)[O-])ccc4n3)cc2)c(C)c1[N+](=O)[O-] 753630212 OANYFHVOZNWLDL-UHFFFAOYSA-N 446.423 4.165 5 20 IIBD CCOc1cc(CNc2cc(OC)c(OC)cc2C(=O)N2CCCCC2)ccc1[N+](=O)[O-] 754885045 IIQQZOJFMORFML-UHFFFAOYSA-N 443.500 4.249 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)Nc1ccc(OC(F)F)cc1 754989387 QGXYKGHXIJKMHO-QMMMGPOBSA-N 432.738 4.173 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N(CCO)[C@@H]1CCCc2ccccc21 755026686 WBWPKNFEWAMEIJ-QGZVFWFLSA-N 434.290 4.261 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)[C@@H](C)CSc2ccc(F)cc2)c([N+](=O)[O-])c1 756713312 FBEBOVLGWSMAAC-STQMWFEESA-N 436.461 4.041 5 20 IIBD CN(C(=O)c1ccc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1)c1ccccc1 757844163 NCQSGTPWTXAWDR-UHFFFAOYSA-N 448.431 4.095 5 20 IIBD Cc1cc(F)cc(C(=O)Nc2cccc(CS(=O)(=O)Cc3ccccc3)c2)c1[N+](=O)[O-] 758497714 RLVOTARMNMPWMD-UHFFFAOYSA-N 442.468 4.410 5 20 IIBD C[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Br)cc2)no1 760279909 JZFWSRQPLIIVBM-SNVBAGLBSA-N 448.302 4.455 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(Cl)cc1Br 761281612 HCPWZNOHZWDVIT-UHFFFAOYSA-N 428.622 4.234 5 20 IIBD CC1(C)C[C@H](NC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C(=O)O1 762043118 STPHPWDUBYUAFL-ZDUSSCGKSA-N 443.506 4.180 5 20 IIBD Cc1sc2nc(CS[C@H](C)C(=O)OCCc3ccccc3[N+](=O)[O-])nc(O)c2c1C 762699056 JNDBZUFCMHFLJE-CYBMUJFWSA-N 447.538 4.330 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)OC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 762908441 SQVWJDTWXFOIOG-OAHLLOKOSA-N 447.451 4.063 5 20 IIBD C[C@@H](OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(=O)Nc1ccc2ccccc2c1 763872382 XWTMBWJNBUXRHP-OAHLLOKOSA-N 430.420 4.118 5 20 IIBD C[C@@H](OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1nc(-c2ccc(Cl)cc2)no1 763872434 ZUZDALFWOZNVCK-GFCCVEGCSA-N 439.815 4.402 5 20 IIBD Cc1ccc(Br)c(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1N 764593181 UQERTKNXEOKDLJ-SNVBAGLBSA-N 447.245 4.216 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)N[C@H](C)c1ccc(Cl)cc1 766223913 IWJKFPIDJBTZQD-CHWSQXEVSA-N 427.844 4.219 5 20 IIBD C[C@H](OC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 766841788 HATWSRBQOHWVGI-NSHDSACASA-N 436.342 4.185 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCCO)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 768627796 XJTZPGPKJYOACB-AWEZNQCLSA-N 440.443 4.328 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)C1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 769313445 NWLCNLMQVYBKQF-CYBMUJFWSA-N 442.354 4.483 5 20 IIBD COc1cc(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc(OC)c1OC(F)F 770331282 RQZOPXXTHSTXLX-UHFFFAOYSA-N 447.188 4.228 5 20 IIBD COC(=O)[C@@H]1CCC[C@H](C(=O)O[C@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])C1 774367222 FQWYPZHRVXBZCY-IJEWVQPXSA-N 442.306 4.068 5 20 IIBD O=C(Nc1cccc(NC(=O)C2CCCCC2)c1)c1cc([N+](=O)[O-])c2nsnc2c1 778311797 AJOZRWRNPBQBFZ-UHFFFAOYSA-N 425.470 4.371 5 20 IIBD Cc1ccc(-c2cnc(CCC(=O)O[C@H]3CCN(c4ccc([N+](=O)[O-])cc4F)C3)o2)cc1 778811311 QZAMEUSLMLOQOH-SFHVURJKSA-N 439.443 4.452 5 20 IIBD COc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 778887906 OZZMOLSALCCOAC-SECBINFHSA-N 444.774 4.042 5 20 IIBD CC(C)(C)OC(=O)N1Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])c4cccnc34)cc2C1 781082413 UCUBYPWNBOAZSJ-UHFFFAOYSA-N 448.479 4.324 5 20 IIBD CN(C(=O)OC(C)(C)C)c1ccc(OC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 781686761 VALGHNVBGHMNBR-UHFFFAOYSA-N 445.428 4.413 5 20 IIBD CN1CCN(c2ccccc2NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 781957277 GDRFLGSDLXOMBD-UHFFFAOYSA-N 446.507 4.178 5 20 IIBD Cn1nc(C(F)(F)F)c(COC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1Cl 782345306 GYVXFTWKRNXEFR-UHFFFAOYSA-N 442.575 4.120 5 20 IIBD C[C@H](OC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cnccn1 782462571 LFXKWSCHJLZXFS-LBPRGKRZSA-N 426.816 4.209 5 20 IIBD C[C@@H](OC(=O)c1cccnc1SCc1ccc(C(N)=O)cc1)c1ccccc1[N+](=O)[O-] 782822034 PIGTWUSHSFLEAS-CQSZACIVSA-N 437.477 4.299 5 20 IIBD C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCc1cc([N+](=O)[O-])ccc1Cl 783518168 KIULFUPKVMGAJD-ZDUSSCGKSA-N 430.892 4.104 5 20 IIBD COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 786879232 HFKITESSBLOSMP-JTQLQIEISA-N 435.285 4.116 5 20 IIBD CCc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c(O)c1 787868029 WLSXNYJJXMARSY-JTQLQIEISA-N 426.347 4.066 5 20 IIBD O=C(/C=C\SCc1ccco1)Nc1ccc([N+](=O)[O-])c(I)c1 788107589 HGOSCPQBEIWJMB-ALCCZGGFSA-N 430.223 4.178 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC(COc2ccc(Cl)nc2)CC1 790094522 SNTAQWHMVXTAMW-UHFFFAOYSA-N 444.919 4.175 5 20 IIBD NS(=O)(=O)c1sc(Cl)cc1C(=O)OCc1nc2ccccc2c2ccccc12 798696507 HEGSZHMEUUCFHI-UHFFFAOYSA-N 432.910 4.107 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1c(Br)sc(C)c1C 799542792 BMFMKQSGPZZSJP-UHFFFAOYSA-N 427.276 4.140 5 20 IIBD CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 804349085 VPBCZANRZWBSJD-UHFFFAOYSA-N 440.500 4.382 5 20 IIBD COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 804365733 GJXORXHXZBOURN-GOSISDBHSA-N 446.447 4.197 5 20 IIBD C[C@H](C(=O)O[C@H](C)c1ccc(SCC(=O)N(C)C)cc1)c1ccc([N+](=O)[O-])cc1F 809074553 PYORFCIXGFSBQJ-UONOGXRCSA-N 434.489 4.322 5 20 IIBD O=C(Nc1cccc(Cl)c1OCC(F)F)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 809286902 GSLAHZVRCGWHHP-OAHLLOKOSA-N 425.775 4.024 5 20 IIBD O=[N+]([O-])c1ccc(N2CCOCC2)c(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)c1 809288354 QNDSMQDVMSLIKV-UHFFFAOYSA-N 436.346 4.047 5 20 IIBD C[C@@H](c1ccc(C(F)(F)F)cc1)c1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 809483748 IBDGUSLFGJPINQ-LBPRGKRZSA-N 434.374 4.007 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC2)C1 810949210 NGGQUDNWUXHIIZ-LJQANCHMSA-N 431.533 4.023 5 20 IIBD C[C@@H](OC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(=O)Nc1ccc(N(C)C)cc1 811375119 VGNPTXLBVPHWOI-SNVBAGLBSA-N 426.256 4.152 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1ccc2c(c1)CC(=O)N2C 812591730 RIIZMSQOYXQNIW-UHFFFAOYSA-N 442.493 4.046 5 20 IIBD COc1cccc(-c2noc([C@H](C)NC(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])n2)c1 813031034 WQHKJJUIBDYTME-VIFPVBQESA-N 437.239 4.451 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)c1ccc(C(F)(F)F)nc1Cl 817875777 YHODLWOJYAGVPS-MRVPVSSYSA-N 434.777 4.358 5 20 IIBD CCN(C(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccccc1 823259057 JRNRFNIUEZSVPD-KRWDZBQOSA-N 425.485 4.184 5 20 IIBD COCc1cccc(CNc2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])c1 917075873 YJMWPAIBLUBJDC-UHFFFAOYSA-N 426.223 4.033 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cc(F)cc3nccnc23)cc1)c1cccc([N+](=O)[O-])c1 917520846 VVUONUBYRYZFHJ-UHFFFAOYSA-N 432.367 4.149 5 20 IIBD COc1ccccc1[C@@H](CNC(=S)Nc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C 917582489 QVLGPUDQQZMBBH-QGZVFWFLSA-N 446.529 4.156 5 20 IIBD CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1OCC(=O)N1CCCC1 917743327 WSJDSHXZLJXMQJ-LJQANCHMSA-N 445.903 4.131 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])NC(=O)OC(C)(C)C 918331532 UQCUEXNFRPWMFO-MRXNPFEDSA-N 449.891 4.253 5 20 IIBD C[C@H](OC(=O)CCc1ccc(OC(F)F)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 919267126 DSRGELFJPAMAQG-NSHDSACASA-N 442.802 4.353 5 20 IIBD COc1cccc(COC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])c1 919977023 YNZNDZYHWZMILB-UHFFFAOYSA-N 430.438 4.005 5 20 IIBD O=C(NCCc1nnc(-c2sc3ccccc3c2Cl)o1)c1ccc([N+](=O)[O-])cc1 1257731890 ZMAOCTDGTLIAIP-UHFFFAOYSA-N 428.857 4.485 5 20 IIBD COc1ccc(C(=O)CCc2nc(-c3cc(C)c([N+](=O)[O-])cc3C)no2)c(OC)c1OC 1320211556 DDQNXJOSMXKNPF-UHFFFAOYSA-N 441.440 4.103 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 1320229529 GYBYRSJHXHPFJC-JOCHJYFZSA-N 429.480 4.057 5 20 IIBD CCOC(=O)c1cc(-c2nnc([C@@H](C)Oc3ccc(OCC)cc3)o2)cc([N+](=O)[O-])c1 1322651164 ISEJAVOWCQMKGL-CYBMUJFWSA-N 427.413 4.360 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3N)cc2)nn1 1322735758 GTOKJCGPANSTEY-UHFFFAOYSA-N 444.245 4.083 5 20 IIBD O=C(c1ccccc1F)N1CCC(Nc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)CC1 1323600690 TWBRAHBRPRVESG-UHFFFAOYSA-N 429.839 4.047 5 20 IIBD CC(C)(C)OC(=O)N1CCc2ccc(C(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc34)cc2C1 1325954207 AVNVBTJCCHBLBF-UHFFFAOYSA-N 437.456 4.017 5 20 IIBD Cc1ccc(Cn2ncc3c(C(=O)N(C)CCc4cccc([N+](=O)[O-])c4)cc(C)nc32)cc1 1327102469 ROXMJVIQGPMOOD-UHFFFAOYSA-N 443.507 4.319 5 20 IIBD O=C(CCn1cnc2cc(-c3ccc(F)cc3)sc2c1=O)Nc1ccccc1[N+](=O)[O-] 1339915730 XFBJMLLSJOAYIQ-UHFFFAOYSA-N 438.440 4.201 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1ccc(NC(=O)c2ccc(O)nc2)cc1 1342566614 OVGZCBZBWDKEEG-UHFFFAOYSA-N 427.800 4.129 5 20 IIBD C[C@H](CO)N(Cc1ccccc1)C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 1343577756 UFGHCIABAXLLRV-CYBMUJFWSA-N 449.294 4.111 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1ccc([N+](=O)[O-])cc1Br 1349656761 SMTMLRZDMOJQIP-OCCSQVGLSA-N 428.327 4.235 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc(F)cc3F)cc2)CCC1)c1ccc([N+](=O)[O-])[nH]1 1790333964 FFSPBVJIUPTHIG-UHFFFAOYSA-N 440.406 4.263 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C(C)C)[nH]n1 1821286252 ROSXYWCMUXKZGM-HKMNZKMDSA-N 443.479 4.284 5 20 IIBD C/C=C/C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[nH]n1 1821886725 NQMXNIBAAQEXAR-AUYOJAJCSA-N 439.497 4.415 5 20 IIBD Cc1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)CC3CCC3)n[nH]2)cc1[N+](=O)[O-] 1823430376 UXIWEZWMBZSZPZ-IBGZPJMESA-N 439.516 4.051 5 20 IIBD O=C(c1cccc(F)c1F)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823614975 ITUGBLMYGUPKCX-QGZVFWFLSA-N 447.438 4.013 5 20 IIBD C/C=C(/C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 1831345455 YNVLUBQCQBKGKR-SAMDCNTISA-N 447.963 4.377 5 20 IIBD O=C(C1CC1)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)CC1 1832528427 UEWPYKJLCFJDQY-JOCHJYFZSA-N 439.556 4.046 5 20 IIBD Cc1ccc(C2=NN(C(=O)COC(=O)c3cccc(C)c3[N+](=O)[O-])[C@@H](c3ccco3)C2)cc1 9022433 FHSXHXCYJJILKX-HXUWFJFHSA-N 447.447 4.339 5 20 IIBD C[C@@H](OC(=O)c1ccccc1COc1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 10852880 UAFFUKBIMDVWEQ-OAHLLOKOSA-N 438.411 4.497 5 20 IIBD O=c1c2c3n(c(SCc4ccccc4[N+](=O)[O-])nc-2nn1-c1ccccc1)CCCCC3 25114245 GBIBUTCZXFJDHD-UHFFFAOYSA-N 447.520 4.461 5 20 IIBD CCOc1cc(Br)c(CC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1OCC 26361102 BRVXBINCEXYJAU-UHFFFAOYSA-N 441.253 4.475 5 20 IIBD COc1ccc(-c2nnc(SCc3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCO2)cc1 28367957 OXLCLTWMQTZENF-LJQANCHMSA-N 426.498 4.333 5 20 IIBD Cc1cc(C)cc(NC(=O)[C@H](C)OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 28774959 AYOILAFNYRLPDU-SFHVURJKSA-N 428.488 4.342 5 20 IIBD COc1ccccc1OCC(=O)Nc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 59783871 KHMKLPBDNLBUHQ-UHFFFAOYSA-N 435.436 4.182 5 20 IIBD C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] 302546737 PDFIRLFXVHSAFJ-GTNSWQLSSA-N 446.859 4.211 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 302799059 DRZKDPXKHPACCW-QGZVFWFLSA-N 433.464 4.248 5 20 IIBD O=C(CCN1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1)Nc1ccccc1[N+](=O)[O-] 303330407 UCLYUESACLUEFL-GOSISDBHSA-N 442.274 4.443 5 20 IIBD CN(C(=O)c1cccc(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)c1)c1ccccc1 303520145 YWWWDNPQQVSKJK-UHFFFAOYSA-N 442.431 4.378 5 20 IIBD CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)CCOc1ccccc1[N+](=O)[O-] 427420114 IWDFBOBPMOSYFW-UHFFFAOYSA-N 441.484 4.027 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CN1CCOC[C@@H]1c1c(C)nn(-c2ccccc2F)c1C 430220790 RNXAOJOAODAGSY-OAQYLSRUSA-N 440.475 4.119 5 20 IIBD O=C(Nc1nc2ccc(Br)cc2[nH]1)c1ccc(Br)cc1[N+](=O)[O-] 430606742 ANVGCQWTVXQXIE-UHFFFAOYSA-N 440.051 4.248 5 20 IIBD Cc1ccc(-c2noc([C@H](C)NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)n2)cc1F 431499290 FWEJWFIPRVZWKJ-JTQLQIEISA-N 449.236 4.346 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(C(F)(F)F)ccc2Br)cc([N+](=O)[O-])c1 432661064 VTDLPVMZDJKTAH-UHFFFAOYSA-N 447.163 4.415 5 20 IIBD CC(=O)c1cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)ccc1C 436276375 STMLDTTXUDAAET-UHFFFAOYSA-N 435.402 4.087 5 20 IIBD O=C(CC1CCCCC1)N1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC1 436339006 LLTFSJCCMDPBFD-UHFFFAOYSA-N 449.526 4.075 5 20 IIBD C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437130460 VTUWTUPYCDTGIE-LBPRGKRZSA-N 436.295 4.211 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC(Oc4ccccn4)CC3)cc2[N+](=O)[O-])C1 438320118 XNBBZRMMAQTAOM-QZTJIDSGSA-N 438.528 4.156 5 20 IIBD COc1cccc(N2CCC[C@@H](NC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)C2)c1 444040955 VASAEOGAFCSNKG-MRXNPFEDSA-N 445.494 4.228 5 20 IIBD C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 444228996 WULSERTVKSWUIZ-MEDUHNTESA-N 431.297 4.052 5 20 IIBD O=C(Cc1noc(Cn2ccc3cc([N+](=O)[O-])ccc32)n1)Nc1cc(Cl)cc(Cl)c1 445379216 BHCLTXNYLWYPQM-UHFFFAOYSA-N 446.250 4.469 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N(C)CCOCC2CC2)cc1[N+](=O)[O-] 446440481 HXHVTIXMKJDYAG-UHFFFAOYSA-N 428.510 4.046 5 20 IIBD Cc1cc(Br)cc(CNCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c1OC(F)F 446852817 LUSGXZOTOIUQNR-UHFFFAOYSA-N 441.232 4.433 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)Nc2nc(C3CCC3)cs2)cc1[N+](=O)[O-] 446952542 QHSHKPUTSULPHB-UHFFFAOYSA-N 432.321 4.191 5 20 IIBD C[C@H]1C[C@H](c2cccc(F)c2)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 447015104 FIYMNPITYBIXEI-MEDUHNTESA-N 443.294 4.268 5 20 IIBD Cc1cc(C[C@@H](C)NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)n(-c2ccccc2)n1 448168683 HAWOTKAIWNJFOD-CYBMUJFWSA-N 443.301 4.212 5 20 IIBD Cc1nnc(-c2cccc(NC(=O)c3ccc(N4C[C@@H](C)C[C@@H](C)C4)c([N+](=O)[O-])c3)c2)n1C 448193442 LHBNEPDUWGBCEO-IYBDPMFKSA-N 448.527 4.433 5 20 IIBD Cn1ccc([C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c2ccc(Cl)cc2)n1 460248325 YIPXUOZFONPFQL-OAQYLSRUSA-N 439.903 4.445 5 20 IIBD CCc1nc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)nn1-c1ccccc1Cl 460345226 GAOOZMHIEJHVIN-FQEVSTJZSA-N 443.916 4.279 5 20 IIBD CO[C@]1(C)CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2ccccc2)CC1 460438182 RJACORDFBMBTGU-XMMPIXPASA-N 435.528 4.491 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cc(C)ccc3[N+](=O)[O-])cc2)cc1 460823856 NYOLIUVCBUYBKW-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD CCO[C@@H]1C[C@H](NCc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C12CCCC2 462759094 WJMOCTCMJDIXKN-ZWKOTPCHSA-N 432.439 4.372 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 463133347 XLIBYCOXSDJHMA-OAHLLOKOSA-N 438.871 4.287 5 20 IIBD NC(=O)[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccc(F)cc1 463745310 MIESXVXGUITFMA-SFHVURJKSA-N 448.248 4.073 5 20 IIBD COc1ccc2c(c1)N(C(=O)c1ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c1)CCO2 464361033 DPXOHVJTOMITRS-HNNXBMFYSA-N 434.452 4.211 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1CS(=O)(=O)c1ccccc1 466504293 ALQZXHIFBYGUPS-UHFFFAOYSA-N 440.477 4.220 5 20 IIBD COC(=O)c1cc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)ccc1C 466863542 PAQTVJHUYTVCKP-UHFFFAOYSA-N 440.477 4.085 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])c1cc(COc2ccc(Cl)cc2Cl)on1 467979732 WJVXLATXXBUTFU-UHFFFAOYSA-N 436.251 4.441 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc(Br)c1F 470019714 HKEFXTOCWRYTSW-UHFFFAOYSA-N 448.204 4.084 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)Nc1cc(-c2ccccc2)ccc1Cl 472567855 UCYOMSPQCXHTMF-UHFFFAOYSA-N 439.855 4.179 5 20 IIBD Cc1ccc([C@H](CC(=O)OC(C)C)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 477681122 URAQJMDYVVTIFI-FQEVSTJZSA-N 439.512 4.316 5 20 IIBD O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 479216153 MFLMJYNMEYBQAH-LLVKDONJSA-N 431.773 4.415 5 20 IIBD CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 479573946 LHYDUOPPYZHNSH-MRXNPFEDSA-N 449.301 4.040 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2F)nnc1-c1ccc([N+](=O)[O-])cc1 481347962 WHNFJLIMFCDTIC-CYBMUJFWSA-N 429.477 4.440 5 20 IIBD Cc1c(NC(=O)CCN[C@@H](c2ccccc2)c2nc3ccccc3n2C)cccc1[N+](=O)[O-] 481421871 RIYQCZUAOFSCFG-DEOSSOPVSA-N 443.507 4.498 5 20 IIBD Cc1c(CNC(=O)Cn2c(COc3ccccc3)nc3ccccc32)cccc1[N+](=O)[O-] 481473092 MRAGBJCVUNHKNE-UHFFFAOYSA-N 430.464 4.148 5 20 IIBD Cc1cc(C)c(-c2cc(NC(=O)c3cc([N+](=O)[O-])nn3C)n(-c3ccccc3)n2)cc1C 481872972 KETASQPMTLCDCM-UHFFFAOYSA-N 430.468 4.359 5 20 IIBD CC(=O)Nc1ccc(F)c(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c1 484409547 XASBHYLSIOLYKX-KBPBESRZSA-N 428.464 4.427 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)CCCC(=O)c1ccc(Br)cc1 485120816 QINCEIWAKFTANJ-UHFFFAOYSA-N 435.274 4.035 5 20 IIBD Cc1cc(C)c(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)o1 486839378 AJHGTKGHKZJDGA-UHFFFAOYSA-N 429.454 4.166 5 20 IIBD O=C(Nc1ccc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1)c1ccncc1 487994859 HMFMBJINUJGIDV-UHFFFAOYSA-N 445.479 4.116 5 20 IIBD COc1cc(CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)F 491080902 ACTXGCYZBMKDKX-OAHLLOKOSA-N 449.454 4.098 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 491331388 FUSWXTCQQPFWMP-MRXNPFEDSA-N 446.328 4.429 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)cc1[N+](=O)[O-] 492957745 GXSBGCLLKGLUMO-BEFAXECRSA-N 441.488 4.086 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)cc1[N+](=O)[O-] 493129370 FGQZYNHEFYLYAO-INIZCTEOSA-N 434.500 4.339 5 20 IIBD COC(=O)CC1CCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 497734354 PVNDWQILAYOWGU-NRFANRHFSA-N 445.903 4.203 5 20 IIBD CC(C)c1nc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)nn1-c1ccccc1F 498149464 KZRAURUVWCWCPM-NRFANRHFSA-N 441.488 4.326 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC[C@@H]3[C@@H]3C[C@H](C)CC[C@@H]3O)cc2[N+](=O)[O-])C1 500347882 VEPHDXUVYMEZHV-QHUXFDNCSA-N 443.588 4.479 5 20 IIBD COc1cc(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)ccc1OCC(F)(F)F 500739415 UZPIUHQSRNSFAL-UHFFFAOYSA-N 439.390 4.049 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1CCN(C2CCCC2)CC1 502195013 LZQVSAYHQLAJOR-QFIPXVFZSA-N 442.947 4.488 5 20 IIBD C[C@@H](NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1nc(-c2ccccc2)cs1 502631087 PZEVODZYKUPCNE-MRXNPFEDSA-N 437.525 4.311 5 20 IIBD COC(=O)C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(Br)cc1 503941719 MAIIKOMWJZEZOW-HNNXBMFYSA-N 436.262 4.092 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccc(OCC(F)(F)F)c(F)c1 504254658 OOBGLHXSHHEDPD-UHFFFAOYSA-N 439.321 4.241 5 20 IIBD COc1ccc(Br)cc1[C@H]1CCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 504894863 KQIIDPVIDXTGDK-QGZVFWFLSA-N 435.274 4.108 5 20 IIBD O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H]1c1cc(F)cc(Br)c1 505245236 QUCYMNFYOYKGKY-INIZCTEOSA-N 433.237 4.350 5 20 IIBD COc1ccc(-c2nc(C)c([C@@H](C)NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)s2)cc1 506252512 DEOHJPWIWFXSRQ-CQSZACIVSA-N 447.538 4.383 5 20 IIBD COc1ccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1Br 506996415 DLTHSTDSPQPFJV-SNVBAGLBSA-N 443.681 4.103 5 20 IIBD CNC(=O)c1ccc(Sc2nnc(-c3cccc(C)c3)n2Cc2ccco2)c([N+](=O)[O-])c1 507133169 SSQDEMSDQHZKTB-UHFFFAOYSA-N 449.492 4.314 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCCO[C@H]2CCCC[C@@H]2C)cc1[N+](=O)[O-])c1ccccn1 507356583 HSSLKALPJGNVIM-HOIFWPIMSA-N 426.517 4.488 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccc(N3CCCC3)cn2)cc1[N+](=O)[O-])c1ccccn1 507684805 WMPOWJAJNQKVDX-INIZCTEOSA-N 432.484 4.410 5 20 IIBD CCOc1ccccc1N1CCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC1 507866397 YRHMEAYTLNTPCS-UHFFFAOYSA-N 432.480 4.018 5 20 IIBD O=c1c(Cl)c(NCc2ccsc2Br)cnn1-c1ccc([N+](=O)[O-])cc1 509499441 GSEMPSZPFBTDFM-UHFFFAOYSA-N 441.694 4.230 5 20 IIBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCOc2c(-c3ccccc3)cccc21 509637316 GFHHRFWNLXKUCK-IBGZPJMESA-N 440.477 4.073 5 20 IIBD COc1cc(C(=O)NCCSc2ccccc2)c([N+](=O)[O-])cc1OCc1cscn1 509873273 WVHGCLOTWJJOJZ-UHFFFAOYSA-N 445.522 4.161 5 20 IIBD CCOc1c(Br)cc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)cc1OC 509972168 NKLWTWVDGNFVNT-UHFFFAOYSA-N 435.274 4.358 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 511236273 RLLWQLZCKFYCIU-AWEZNQCLSA-N 433.745 4.136 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N(C)C[C@H]3CCCCO3)c([N+](=O)[O-])c2)c(C)c1 511690754 JBDSYKCLYCATHT-QGZVFWFLSA-N 433.530 4.018 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 512955929 VQSXJLQVDOSWAT-UHFFFAOYSA-N 428.876 4.322 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@H](COc2ccccc2Cl)C1 513986109 WLUKZFHMMRUDRZ-HNNXBMFYSA-N 433.892 4.257 5 20 IIBD C[C@H](Cc1ccc(C(F)(F)F)cc1)Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] 518268203 UGKPXRSGUCEMKC-CQSZACIVSA-N 437.418 4.129 5 20 IIBD C[C@@H]1CCCN([C@H](C)CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 518758708 GETSRDPYCKFETO-KZNAEPCWSA-N 425.533 4.013 5 20 IIBD COc1ccc([C@@H](Cc2ccc(F)cc2)NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 519997180 YFZLOPIVGFTREM-LJQANCHMSA-N 430.457 4.005 5 20 IIBD CC[C@@H]1c2ccsc2CCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 521765638 SMSBPGBZXZKCIF-CQSZACIVSA-N 431.333 4.117 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1nnc(Cc2ccccc2F)s1 522636666 JWLCTMLPOYKLCC-UHFFFAOYSA-N 436.852 4.237 5 20 IIBD CS(=O)(=O)Cc1ccc(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 522681915 SBJJYKGKWLDZCP-UHFFFAOYSA-N 426.450 4.184 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 523732291 ZEVFRNRNDNSRCS-GFVXYOJSSA-N 431.297 4.186 5 20 IIBD C[C@H]1CO[C@@H](c2ccccc2Cl)CN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 533440282 XTLVWNYNKGNRBT-VBKZILBWSA-N 431.876 4.008 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 537097803 DXQWCGSBJNRRGC-KRWDZBQOSA-N 447.495 4.230 5 20 IIBD CSc1ccc(C(=O)N[C@H](CC(=O)O)c2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] 537373840 VOQHSXYYGLSPEQ-CYBMUJFWSA-N 444.387 4.161 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCC2([C@H](O)C(C)C)CC2)cc1[N+](=O)[O-] 539461691 RMIXEHSHCPOZLY-OAQYLSRUSA-N 442.537 4.075 5 20 IIBD O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cccc([N+](=O)[O-])c1N1CCOCC1 539547824 IGFRUZPOISISCD-UHFFFAOYSA-N 443.463 4.227 5 20 IIBD O=[N+]([O-])c1ccc(C(F)(F)c2nc(Cc3nc(O)c4c(C5CC5)csc4n3)no2)cc1 545576361 LVWPYKJWLZDNFW-UHFFFAOYSA-N 445.407 4.296 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(NC(=O)c2cccnc2)c1 547316082 IMBPMUHMPCJKGQ-LJQANCHMSA-N 432.480 4.127 5 20 IIBD CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 549393077 BOXSKINVSVISHS-AWEZNQCLSA-N 441.561 4.098 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3csc(-c4ccncc4)n3)cc2)c(C)c1[N+](=O)[O-] 549725701 HQBLJYBDHUEYPE-UHFFFAOYSA-N 434.481 4.227 5 20 IIBD Cc1c([C@H](C)NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)oc2ccccc12 551428923 OPZLAILXYHWLRX-NSHDSACASA-N 446.257 4.228 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 553040339 ABWCRTJWGSBRQR-GUDVDZBRSA-N 431.286 4.002 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 553364671 XKVKMMQVGQONSR-KURKYZTESA-N 432.929 4.371 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 554136111 AXLZBRMULQGNII-FUHWJXTLSA-N 430.529 4.322 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc2ccccc2s1 556601765 IJRZOPRPZXRXJA-UHFFFAOYSA-N 430.507 4.395 5 20 IIBD CCCCc1nc(CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2C)no1 557751975 YLSJCMQTRONORL-UHFFFAOYSA-N 444.513 4.333 5 20 IIBD CCc1ccc([C@@H]2CCN(C(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)C2)cc1 558305365 XTMHQFVPVJNQRE-GOSISDBHSA-N 437.525 4.067 5 20 IIBD CCOCCCn1c(-c2c[nH]c3ccccc23)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 559035131 AVOBGIJCEVJNIM-UHFFFAOYSA-N 434.500 4.398 5 20 IIBD O=C(CN1C[C@@H]2CCCCN2c2ccccc21)Nc1ccc([N+](=O)[O-])cc1Br 559418930 DWJLWLGLFHWRBQ-HNNXBMFYSA-N 445.317 4.175 5 20 IIBD Cn1ccnc1[C@H](NCc1cc2cc(Br)ccc2[nH]1)c1cccc([N+](=O)[O-])c1 560549850 QBLPXAWNQCXTOP-LJQANCHMSA-N 440.301 4.451 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O 560700087 AVHXTMBZBLESIK-DRCJMICCSA-N 425.323 4.067 5 20 IIBD CC(C)(C)c1ccc(C(=O)NC2(c3noc(C(F)(F)F)n3)CCCC2)cc1[N+](=O)[O-] 566582511 PRLWTBKJIVPCRU-UHFFFAOYSA-N 426.395 4.493 5 20 IIBD CCc1ccc([C@@H](Nc2c([N+](=O)[O-])nc(C)n2CC)c2cccc(S(C)(=O)=O)c2)cc1 570596460 DXDMEZWPLQBPQV-HXUWFJFHSA-N 442.541 4.287 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3ccc(C(F)(F)F)nc3OC(C)C)n2)c1 573247456 PXCJWDCTIKAKPF-UHFFFAOYSA-N 438.362 4.445 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CNCc2ccccc2OC(F)F)c1 580956275 PIDVMJJZYSMBAZ-UHFFFAOYSA-N 434.180 4.091 5 20 IIBD Cc1ccc([C@@H](CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])N2CCCC2)cc1 581154415 FZEURTOOVUTNIL-HXUWFJFHSA-N 431.920 4.279 5 20 IIBD Cn1cnnc1Sc1ccc(-c2nc(-c3cccc4ncccc34)no2)cc1[N+](=O)[O-] 585731358 ATWGEHPZPPTNNW-UHFFFAOYSA-N 431.437 4.140 5 20 IIBD COc1cccc2c1O[C@@H](c1ccc(-c3ccc([N+](=O)[O-])cc3Br)o1)NC2=O 603805388 FLXFHWNFGRXPHZ-IBGZPJMESA-N 445.225 4.447 5 20 IIBD C[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1cccc([N+](=O)[O-])c1 604107925 HVCACSUTVSBTMH-AWEZNQCLSA-N 443.456 4.026 5 20 IIBD CC(C)(C)c1cc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n[nH]1 604194427 OFBQCDRSMLHVEU-UHFFFAOYSA-N 439.438 4.489 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H](c1ccccc1)[C@H]1CCCO1 608807603 HRBKNUOPUZCMJQ-QUCCMNQESA-N 437.418 4.452 5 20 IIBD O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 608875060 KVTDFSPZIBXZQG-UHFFFAOYSA-N 444.329 4.102 5 20 IIBD O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cc1 608957662 YOWLLYAPKVBHMU-UHFFFAOYSA-N 434.408 4.262 5 20 IIBD COc1cc([C@@H](C)N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCCC(C)C 609450938 CVOSVFRCMRYGLW-DYESRHJHSA-N 441.528 4.484 5 20 IIBD COc1ccccc1CN(Cc1cccs1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 609673333 ZFSLOZSXECCFSB-UHFFFAOYSA-N 432.523 4.364 5 20 IIBD COC(=O)c1cc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)cc([N+](=O)[O-])c1 609838471 SDTLZCMCSQBRND-UHFFFAOYSA-N 431.857 4.340 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3cccc(S(C)(=O)=O)c3)cc2)c1 609981698 VGVFACJQLSACBG-UHFFFAOYSA-N 442.449 4.052 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccc2c(cnn2C(F)F)c1 610954738 FTJXWIWWLSUUHJ-UHFFFAOYSA-N 437.211 4.447 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F 612616486 FRDMVZHISSBVPG-FQEVSTJZSA-N 439.447 4.142 5 20 IIBD CNc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1[N+](=O)[O-] 726531351 SBNBTVGQEHABOG-UHFFFAOYSA-N 425.832 4.190 5 20 IIBD Cc1c(C(=O)OCc2csc(-c3ccc4c(c3)OCO4)n2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 726638154 HKVBQDYEWZGDOV-UHFFFAOYSA-N 443.393 4.021 5 20 IIBD COc1cc(OCC(=O)Oc2cccc(C(=O)Nc3ccc(C)cc3)c2)ccc1[N+](=O)[O-] 727328419 XQXYZRJGDATGFZ-UHFFFAOYSA-N 436.420 4.149 5 20 IIBD O=C(c1cnc(Cl)c(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727329605 ZXRPUYKNZNIKNO-UHFFFAOYSA-N 449.216 4.278 5 20 IIBD O=C(COC(=O)/C=C\c1cccc(OC2CCCC2)c1)Nc1ccc(F)c([N+](=O)[O-])c1 727885454 IYKIEZQXRAFISO-FLIBITNWSA-N 428.416 4.250 5 20 IIBD C[C@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(OCc2ccc(F)cc2)cc1 728589041 IQKVYFUNARIWSH-AWEZNQCLSA-N 448.447 4.492 5 20 IIBD COc1ccc(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)c(Cl)c1 731001873 NFAAHZKMZKCPLD-INIZCTEOSA-N 446.887 4.499 5 20 IIBD O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1c2ccccc2Oc2ccccc21 731504094 LZDRRQREYYORTD-NRFANRHFSA-N 430.416 4.181 5 20 IIBD Cc1c(C(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 731831204 ISAGJAFIPVPDAC-HXUWFJFHSA-N 447.875 4.359 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c1 732026877 MUUUJVIBUAYXFG-UHFFFAOYSA-N 427.457 4.149 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 732221376 AVDZPCNVIXEIKN-UHFFFAOYSA-N 437.880 4.437 5 20 IIBD COc1cc(-c2nc(COC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)cs2)ccc1O 733471697 SMXPJNGDSAZBAU-UHFFFAOYSA-N 439.449 4.131 5 20 IIBD CC1CCN(c2ccc(C(=O)NC[C@@H](O)c3cccc(OC(C)C)c3)cc2[N+](=O)[O-])CC1 735121142 YRZGVMCMWCTMEY-HSZRJFAPSA-N 441.528 4.082 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c([N+](=O)[O-])c1 735267888 LNNGBAPAWVGFJL-UHFFFAOYSA-N 445.409 4.105 5 20 IIBD O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1cccc(OC2CCCC2)c1 735350627 OHKSYMCWWLSUJX-UHFFFAOYSA-N 426.425 4.071 5 20 IIBD CCOc1ccc([C@H]2CCCN2C(=O)COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 740394453 FSVGYPSBWDVPPU-OAQYLSRUSA-N 440.496 4.178 5 20 IIBD O=C(Nc1ccc(Cl)cc1C(=O)NCC1CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 740794267 KDXYWERWWGOGPF-UHFFFAOYSA-N 442.903 4.241 5 20 IIBD C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)C[C@H]1CCN(Cc2ccccc2)C1 744426731 WKOWUNCXPVZPDR-FUHWJXTLSA-N 430.936 4.029 5 20 IIBD CCC[C@H](C)NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(C)cs1 744500603 QOHDWBYEOKBXGM-WCQYABFASA-N 437.543 4.361 5 20 IIBD CC(C)[C@@H](OC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(=O)Nc1cccc2ncccc12 744616577 SILPMWZYLDBYSL-HSZRJFAPSA-N 446.463 4.304 5 20 IIBD O=C(COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(Br)cc1 745567612 NOJLCSCIWQBMGQ-UHFFFAOYSA-N 447.163 4.172 5 20 IIBD C[C@H](OC(=O)COc1cccc(Br)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 745900657 COZQYRVSTQEBIW-NSHDSACASA-N 448.229 4.091 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 746269925 BQYNIJWFKWBSAP-MAUKXSAKSA-N 437.265 4.225 5 20 IIBD CCOc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 746813027 XTSHVKPRLQSTRN-QGZVFWFLSA-N 433.892 4.489 5 20 IIBD CCc1ccc(C(=O)OCc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)cc1[N+](=O)[O-] 747012212 STSQHVKXRGHQGB-UHFFFAOYSA-N 446.506 4.041 5 20 IIBD Cc1c(CC(=O)N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)cccc1[N+](=O)[O-] 747869726 KHGUDRMUUFNOAG-UHFFFAOYSA-N 439.512 4.450 5 20 IIBD Cc1c(C(=O)N(C)Cc2ccc(Br)s2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748610883 SXBBLKURARQWKU-UHFFFAOYSA-N 428.264 4.216 5 20 IIBD Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cccc1C(=O)N1CCCC1 748648158 AHGOXFNEJXMJPY-UHFFFAOYSA-N 436.512 4.382 5 20 IIBD Cc1c(C(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 748714871 NKXIJWLJRLQYLJ-UHFFFAOYSA-N 435.318 4.268 5 20 IIBD O=C(NCCCOC1CCN(Cc2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1Cl 748860780 YKLYVQMYEZHYSL-UHFFFAOYSA-N 431.920 4.049 5 20 IIBD Cc1c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cnc2ccccc12 748931411 URXKVZAUJLXHJW-UHFFFAOYSA-N 433.342 4.266 5 20 IIBD CC(C)NC(=O)c1ccc(N(C)C2CCC(NC(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1 749282515 XBQDTTXCTWQZSN-UHFFFAOYSA-N 434.537 4.005 5 20 IIBD C[C@@H](OC(=O)c1ccnc2ccccc12)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 750040073 CKHMWIAPSSRWMW-CYBMUJFWSA-N 448.460 4.451 5 20 IIBD CSc1nc2ccc(NC(=O)C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)cc2s1 752136841 OSMOEESRNORLBT-LLVKDONJSA-N 430.511 4.051 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)cc1[N+](=O)[O-] 752191756 QKWUHWUCJOTBCV-LLVKDONJSA-N 444.966 4.046 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N(Cc1csc(Br)c1)C1CC1 752378139 OSVGDSORHHEXIO-UHFFFAOYSA-N 426.248 4.132 5 20 IIBD COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 752415870 BTGXWNSRSXKHGW-FOIQADDNSA-N 443.500 4.355 5 20 IIBD O=C(OCC(=O)N(Cc1ccccc1)c1ccccc1)c1c(F)ccc([N+](=O)[O-])c1F 752557628 CZFVPWBKONHZQZ-UHFFFAOYSA-N 426.375 4.263 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])c(Cl)c3)C[C@H]21 752580130 MHUVIXJOHQFBIL-XNRPHZJLSA-N 438.912 4.405 5 20 IIBD CCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br 755470550 AQIFKKFIDSWHGI-INIZCTEOSA-N 425.254 4.001 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccccc1)C[C@@H](O)c1cccs1 756058703 WSXXSGVJQBRTQA-HXUWFJFHSA-N 425.510 4.139 5 20 IIBD O=C(COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)Nc1ccc(OCc2ccccc2)cc1 756767499 UFNDRLQCXXETQU-UHFFFAOYSA-N 445.431 4.451 5 20 IIBD CO[C@@](C)(C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1F 757793887 UYPLNQHAFKFFKB-HSZRJFAPSA-N 438.411 4.453 5 20 IIBD O=C(OC[C@H]1CC12CCOCC2)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 758024288 OYVUDXFZOVZUBL-MRXNPFEDSA-N 442.434 4.190 5 20 IIBD CC(=O)NCCc1ccc(C(=O)[C@H](C)Sc2nc3ccc([N+](=O)[O-])cc3s2)cc1 758478210 UFPXPWAEGMOXGS-LBPRGKRZSA-N 429.523 4.247 5 20 IIBD Cc1ccc(-c2nc(CC(=O)O[C@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)cs2)cc1 759929795 ISMDDZQQWGYRKX-MSOLQXFVSA-N 426.498 4.493 5 20 IIBD C[C@H](OC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C(=O)Nc1ccc(OC(F)(F)F)cc1 762897273 JOOUJLLZEUHBJE-JTQLQIEISA-N 437.330 4.159 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)C1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 769315742 WHWCMRHARSWOMI-CYBMUJFWSA-N 442.354 4.483 5 20 IIBD CC1(C2CCN(Cc3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)CC2)OCCO1 769400615 XASKEMBEQKBGON-UHFFFAOYSA-N 448.523 4.423 5 20 IIBD CCN(Cc1c(Br)cccc1[N+](=O)[O-])CC1CCN(c2ccccn2)CC1 769466061 HGYYKLZXIXPDJB-UHFFFAOYSA-N 433.350 4.491 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Cc1cc(F)c(F)cc1F 769618841 KPWAFAPBBSFNBO-UHFFFAOYSA-N 434.374 4.042 5 20 IIBD COc1cc(C)c([C@H](C)OC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1C 770026595 KMATTXNCXHXEQV-HNNXBMFYSA-N 428.441 4.213 5 20 IIBD C[C@H](NC(=O)COC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 770155796 GJEROFWWFBJQEK-JTQLQIEISA-N 441.665 4.045 5 20 IIBD Cn1cccc1[C@@H]1CCCCCN1C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O 773748389 AFUIAVGHPNZSCE-INIZCTEOSA-N 443.891 4.236 5 20 IIBD CCC(CC)n1nc(C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1C 776429554 MFUICCQDCAZGHP-UHFFFAOYSA-N 442.394 4.275 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)c1cnc(Cc2ccccc2F)s1 778790568 AZTFTOPDMJGWMS-QGZVFWFLSA-N 427.457 4.217 5 20 IIBD O=C(CCCCC(=O)c1ccc(F)cc1)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 778810717 OKNODZLXULCMRQ-GOSISDBHSA-N 432.423 4.438 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)Nc1ccccc1C(F)(F)F 778887438 OTJZTORSVDTDPI-UHFFFAOYSA-N 434.273 4.011 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 780035679 PEMPQCDZXULAHG-CABCVRRESA-N 437.562 4.472 5 20 IIBD Cn1ccnc1[C@H](NCCc1ccc(Br)cc1F)c1cccc([N+](=O)[O-])c1 780765216 XGRBPHZJKQCJGU-GOSISDBHSA-N 433.281 4.152 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 781438387 XLOUNHTYFHKYMT-UHFFFAOYSA-N 440.349 4.275 5 20 IIBD CC[C@H](C)[C@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 781623439 RLCRPFWUTTUCOS-RBZFPXEDSA-N 425.445 4.216 5 20 IIBD O=C(Nc1c(O)c(Cl)cc(Cl)c1Cl)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 782043506 ZBHAWQDOYDMXAM-GFCCVEGCSA-N 430.631 4.392 5 20 IIBD CC(C)(C)c1ccc(C(=O)NCC(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 782599212 CMTMTFYGHUXOSR-UHFFFAOYSA-N 437.452 4.021 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C[C@@H]21 784561089 PBDCYHROIGCYKG-XOKHGSTOSA-N 429.473 4.106 5 20 IIBD COC(=O)CCc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c1 786658922 AKXSBWOVHSJLEZ-UHFFFAOYSA-N 425.485 4.189 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)OCc1csc(Cc2ccccc2)n1 786781653 HFINBARWIJLGEM-UHFFFAOYSA-N 435.461 4.313 5 20 IIBD O=C(COC(=O)c1cc2ccccc2n1CC(F)(F)F)Nc1cc([N+](=O)[O-])ccc1F 787191847 MEPFIPBLUASKSY-UHFFFAOYSA-N 439.321 4.046 5 20 IIBD O=C(Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1)c1ccnn1CC(F)F 789405777 MNHFTNNWYMLNDX-UHFFFAOYSA-N 441.346 4.049 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 790619934 XPDFNDSPOGXVJD-UHFFFAOYSA-N 443.866 4.121 5 20 IIBD CN(C(=O)c1ccccc1C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 791477733 MTOJGHVFOCTUIL-UHFFFAOYSA-N 435.392 4.137 5 20 IIBD CC1(c2cccc(Cl)c2)CCN(CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 794701858 DBUXDZYAXFUCPD-UHFFFAOYSA-N 442.903 4.028 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(CC[C@@H](O)c2ccccc2)cc1 794860127 FCUMUEWCCGWITN-HXUWFJFHSA-N 442.493 4.070 5 20 IIBD COc1c(C(=O)OCC(=O)N(C)C(c2ccccc2)c2ccccc2)cccc1[N+](=O)[O-] 796305725 MNSDSDBKMOLLKV-UHFFFAOYSA-N 434.448 4.008 5 20 IIBD CCNc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1[N+](=O)[O-] 797671241 JUSLTOJNCZNEAA-INIZCTEOSA-N 440.500 4.201 5 20 IIBD CCNc1ccc(C(=O)OCC(=O)c2cc(C)n(CC(F)(F)F)c2C)cc1[N+](=O)[O-] 797671903 IQUXWEHTWPOZLG-UHFFFAOYSA-N 427.379 4.047 5 20 IIBD Cc1nn(CCS(C)(=O)=O)c(C)c1COC(=O)c1c2ccccc2cc2ccccc12 797854934 NKPXICWOTJRUAQ-UHFFFAOYSA-N 436.533 4.208 5 20 IIBD NC(=O)c1ccc(COC(=O)c2[nH]ccc2-c2c(Cl)cccc2Cl)c([N+](=O)[O-])c1 799593054 WDKYPLIQXKYCGF-UHFFFAOYSA-N 434.235 4.353 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1 800144727 CORWKOAEUWZZKE-UHFFFAOYSA-N 432.411 4.302 5 20 IIBD CC(C)[C@@H](NC(=O)COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(F)cc1 801069209 ZXCKFBRELFRIBP-JOCHJYFZSA-N 443.475 4.004 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC(c2ccc(OC)cc2)=NO1 801389860 SZCHHLXYTJEUHT-KRWDZBQOSA-N 429.498 4.029 5 20 IIBD COc1ccc(C[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)c2ccccc2)cc1OC 801871042 DXEJHBYNAQEGAX-IBGZPJMESA-N 439.443 4.047 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])OCC(=O)c1ccc(C(F)(F)F)cn1 805528362 SSVISPLIJWRDOP-UHFFFAOYSA-N 434.779 4.180 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N[C@@H](CCO)c1ccc(Cl)cc1 806367142 JNOSYBNCKHTJFY-AWEZNQCLSA-N 428.670 4.256 5 20 IIBD C[C@H](OC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(S[C@@H]2CCCCNC2=O)cc1 809051717 VTQFWVNRHYPMND-MGPUTAFESA-N 444.509 4.039 5 20 IIBD C[C@H]1C[C@@H](OC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c2ccsc2S1(=O)=O 809100131 WSSYFBWXSHETCE-HXPMCKFVSA-N 439.514 4.207 5 20 IIBD O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1nc2ccccc2cc1Cl 810561556 LSQQHBDOFSHHPH-UHFFFAOYSA-N 426.860 4.265 5 20 IIBD CCc1ccc(S(C)(=O)=O)cc1C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811217366 UUUPRJAVDLVGOP-UHFFFAOYSA-N 446.506 4.041 5 20 IIBD Cc1ccc(S(=O)(=O)CCCOC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 811373607 ZDDLKBGGCAWDJW-UHFFFAOYSA-N 432.281 4.231 5 20 IIBD Cc1c(CC(=O)N2CCC[C@@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cccc1[N+](=O)[O-] 814428731 NCNVLTMXVYWCOA-UXHICEINSA-N 445.560 4.331 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O 815235358 TUQABLUQKLKFLC-CEQIKUNHSA-N 428.460 4.208 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C 816909168 IPKYZAWQXJSGPT-ZFWWWQNUSA-N 441.525 4.174 5 20 IIBD CNC(=O)Oc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)c1 817023590 GQTFBJWERVXHKE-UHFFFAOYSA-N 437.408 4.366 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2-c2nc(-c3cn(Cc4ccccc4)nn3)no2)CC1 904770118 NDZUQDQCDZGLDX-UHFFFAOYSA-N 445.483 4.188 5 20 IIBD COC(=O)Cc1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)cc1 915134657 YOBZUDVTRJZWEX-UHFFFAOYSA-N 437.404 4.330 5 20 IIBD Cc1cc(=O)c(C(=O)N2CCCc3cc(C(C)C)ccc32)nn1-c1ccccc1[N+](=O)[O-] 915165755 JMRZELLFFQTNQM-UHFFFAOYSA-N 432.480 4.166 5 20 IIBD O=C(N[C@@H](c1cccs1)C1CC1)c1cc([N+](=O)[O-])ccc1I 915280395 KBVXNDBXDYRQQT-CQSZACIVSA-N 428.251 4.142 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccccc1CSc1nc2ccccc2o1 917943820 CJFMTZAQNADKDJ-UHFFFAOYSA-N 438.465 4.390 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)CCn2cc(Cl)cn2)c2ccccc2)c([N+](=O)[O-])c1 919573578 GVFRVJMTUBYDGI-HXUWFJFHSA-N 442.859 4.066 5 20 IIBD Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)Oc1ccc(-c3ccccc3)cc1[N+](=O)[O-])C2=O 920330443 DQNLJDPEKFECKD-HNNXBMFYSA-N 430.416 4.160 5 20 IIBD COc1cc([C@H](C)NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)ccc1OCc1ccncc1 1318836632 NPTLXCGDYBJLQF-INIZCTEOSA-N 448.479 4.364 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)N1Cc2ccc([N+](=O)[O-])cc2C1 1318878659 HQPXOOOKVXLJQL-UHFFFAOYSA-N 441.440 4.114 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Br)C1 1321394850 SDKWGRBNGSKTFB-ZIAGYGMSSA-N 442.354 4.483 5 20 IIBD COC(=O)c1nc([C@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2Br)sc1C 1321460283 HMUHNSQYGOLZHO-CQSZACIVSA-N 440.319 4.246 5 20 IIBD COc1ccccc1-c1nnc(COC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)o1 1325723190 BTADZWHHBHTTDU-UHFFFAOYSA-N 448.229 4.081 5 20 IIBD O=C(N1CCc2sccc2C1)N1CCC[C@H](c2nnc(-c3cccc([N+](=O)[O-])c3)o2)C1 1329059040 AAIVNCNWJCVIBX-INIZCTEOSA-N 439.497 4.064 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3n[nH]c4ccccc34)CCC2)cc1)c1ccc([N+](=O)[O-])o1 1785750795 RWRBYTSGCRBYKX-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD Cc1ccncc1C(=O)NC1(c2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)cc2)CCC1 1785791831 MMRKSLLJYAOEAZ-UHFFFAOYSA-N 444.491 4.289 5 20 IIBD COc1cc(C(=O)NC2(c3ccc(NC(=O)[C@@]4(C)C[C@H]4C)cc3)CCC2)ccc1[N+](=O)[O-] 1790425519 FALHRFREZRZARH-CMJOXMDJSA-N 437.496 4.397 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)NC1(c2ccc(NC(=O)[C@@H]3[C@H]4C=CS[C@@H]43)cc2)CCC1 1791083552 DXICJWYQPZNIGH-FCEUIQTBSA-N 449.532 4.147 5 20 IIBD Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)C4(F)CCC4)cc3)CCC2)cc1[N+](=O)[O-] 1792056747 FNXHOKSYJZGPGE-UHFFFAOYSA-N 439.487 4.472 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])o4)CCC3)cc2)c(O)c1 1792091190 QWXNRJLFCUYOFX-UHFFFAOYSA-N 435.436 4.263 5 20 IIBD Cc1ccc(S/C=C/C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc([N+](=O)[O-])o2)cc1 1792399656 WYTUMOYVTCYLNT-BVFBNKLTSA-N 441.509 4.054 5 20 IIBD C/C(=C\c1cccs1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(F)c1[N+](=O)[O-])C2 1792533880 DOYANCXNJSJCLB-SJFJNONHSA-N 443.500 4.151 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc([N+](=O)[O-])o1)c1ccccc1C1CC1 1793277370 IKYWNDOSLYUULA-PLOKYWTBSA-N 435.480 4.030 5 20 IIBD C[C@H]1CCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 1797923034 SAGBQGYAWCSGJD-QKRVRJICSA-N 441.553 4.498 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1F)c1cc(F)ccc1Cl 1800352987 ICDKSUJNENRKBW-BTTYYORXSA-N 449.841 4.092 5 20 IIBD Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)o1 1801205879 FMILPJSZKOZMFU-MUJYYYPQSA-N 439.493 4.277 5 20 IIBD CC[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 1803823632 LPIDSYUUGYAMCT-FWIIZBITSA-N 443.544 4.072 5 20 IIBD CCCCC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)[nH]n1 1822008087 MFEWZDAMVCOHCS-WMLDXEAASA-N 430.509 4.168 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cc(Br)ccc1Cl 3530020 ZCQITLKEROYWEJ-UHFFFAOYSA-N 428.622 4.234 5 20 IIBD COc1ccc(Nc2nnc(S[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)s2)cc1 3563179 STULLYLSLCGJPJ-NSHDSACASA-N 431.499 4.318 5 20 IIBD O=C(CSc1nc(Cc2cccs2)n[nH]1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 11600430 XQROCRIAQMHLJK-UHFFFAOYSA-N 443.432 4.115 5 20 IIBD Cc1cc(C)c(-c2csc(NC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)n2)c(C)c1 14624888 ZZEGKYMXUVIAAE-UHFFFAOYSA-N 445.522 4.299 5 20 IIBD COc1ccc(NC(C)=O)cc1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 14793383 LSFGLAVGKGJNBQ-UHFFFAOYSA-N 443.403 4.311 5 20 IIBD CCNc1ccc(C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1[N+](=O)[O-] 15991859 DDFRZLCODBWTPE-UHFFFAOYSA-N 425.470 4.361 5 20 IIBD Cc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C 20992453 KLKRDAKIQKDRCP-LBPRGKRZSA-N 431.905 4.471 5 20 IIBD COc1cc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)c([N+](=O)[O-])cc1OC(F)F 25993997 LAZKYUZUIAHGGF-GFCCVEGCSA-N 428.388 4.311 5 20 IIBD CNC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)c1 32938497 BXOYYJUYULHSIN-UHFFFAOYSA-N 436.424 4.399 5 20 IIBD Cc1ccc(CNC(=O)c2cccc(CNC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)c2)cc1 58317168 XIZGIYLXZGZULU-UHFFFAOYSA-N 442.475 4.245 5 20 IIBD C[C@@H](NC(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1)c1cccc([N+](=O)[O-])c1 60628665 GHNFAFUZQNEDPZ-OAHLLOKOSA-N 425.464 4.459 5 20 IIBD O=C1c2ccccc2N[C@@H](c2cc([N+](=O)[O-])ccc2OC(F)F)N1Cc1cccnc1 60791685 DNDKFFLOZGQWQE-LJQANCHMSA-N 426.379 4.358 5 20 IIBD COc1ccc2[nH]cc(C3CCN(C(=O)c4ccn(-c5ccc([N+](=O)[O-])cc5)n4)CC3)c2c1 109287011 KHRWOMFTILFRCR-UHFFFAOYSA-N 445.479 4.290 5 20 IIBD COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OC(F)F 215024502 POTBYOZESJTDID-CXUHLZMHSA-N 436.392 4.441 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cc(Br)sc1Br 227270660 CVKFKMDKPHRTHK-UHFFFAOYSA-N 434.109 4.154 5 20 IIBD CN1CCC(N2CCC(NCc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)CC2)CC1 237072110 BFLREJRTUJEXSP-UHFFFAOYSA-N 432.952 4.156 5 20 IIBD O=C1[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1c1ccccc1Cl 237916692 UXLATBMJASWOOE-KRWDZBQOSA-N 428.901 4.267 5 20 IIBD CC(C)n1cnnc1C1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 302065041 SIKLHKYYBPGSGQ-UHFFFAOYSA-N 428.371 4.078 5 20 IIBD COc1ccc(Br)c(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1 391779414 WCEQNUDEKBUJCH-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cc2ccccc2s1 410387752 XGGUUFYPOAARKV-SNVBAGLBSA-N 435.408 4.227 5 20 IIBD COC[C@H](C)n1ccc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1 426408122 BPDBHLXGPIMAFP-ZDUSSCGKSA-N 430.848 4.697 5 20 IIBD CN1CCC(N(C[C@@H]2C[C@H]3C=C[C@H]2C3)C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC1 426675793 WDXLQKCTZVCWAE-JBACZVJFSA-N 446.551 4.405 5 20 IIBD CC(C)c1ccc(CN(C)[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1[N+](=O)[O-] 428477906 FSKUUMNDOATKTF-QGZVFWFLSA-N 431.558 4.451 5 20 IIBD CC(C)(NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1)c1ccc([N+](=O)[O-])cc1 431422145 OFQGALCBDYQTJU-HNNXBMFYSA-N 428.464 4.029 5 20 IIBD O=C(NCCc1nc2ccccc2n1C(F)F)c1cc(Br)cc([N+](=O)[O-])c1 433142930 WJIOODBXEXGTGX-UHFFFAOYSA-N 439.216 4.075 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)c1ccccn1 435520925 UIXHSDZHNDPZAF-LBPRGKRZSA-N 428.495 4.018 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1cccc(Oc2ccccn2)c1 437460886 OPUZIMVRIBRNQC-UHFFFAOYSA-N 434.408 4.109 5 20 IIBD CCOc1cc2c(cc1NC(=O)N1CCC(Oc3ccc([N+](=O)[O-])cc3)CC1)O[C@@H](C)C2 437634722 KPROKQJJVVSGPE-HNNXBMFYSA-N 441.484 4.392 5 20 IIBD Cc1cc(C(=O)Nc2ccc(-n3ncc(C(=O)O)c3C(F)(F)F)cc2)cc([N+](=O)[O-])c1 439909482 KOWCCRPSYVDTKD-UHFFFAOYSA-N 434.330 4.058 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(NC(=O)C2CCCC2)c1 439920063 WUNIDADGXQJQSL-UHFFFAOYSA-N 426.473 4.444 5 20 IIBD COc1ccc(OCCN2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c([N+](=O)[O-])c1 441085400 CGGVBVZPKAMCIS-GFCCVEGCSA-N 431.436 4.337 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(CCc1ccc(F)cc1)C1CCCC1 441962061 ZHDXTCICTJRFQK-UHFFFAOYSA-N 427.476 4.303 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N(CCCO)[C@H]1CCCc2ccccc21 444024686 XSIPNGPTPGSMQD-SFHVURJKSA-N 435.427 4.490 5 20 IIBD O=C(N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444282843 CGTSKFHPSIDMDD-AUSIDOKSSA-N 438.405 4.359 5 20 IIBD O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)n1 447532899 VUSDBMBRAVQYCB-SJORKVTESA-N 434.422 4.269 5 20 IIBD Cc1ccc(Cn2nc(C)c(CCC(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)c2C)cc1 461386244 KPNWEHKGRSJNMT-UHFFFAOYSA-N 448.523 4.119 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N[C@H]1CCO[C@@H](C2CC2)C1 462175717 LVLCXVCNQBTNKG-NZQKXSOJSA-N 446.507 4.064 5 20 IIBD CC(C)(CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])c1c(F)cccc1Cl 463072445 VMSDCWCVCKCFPG-UHFFFAOYSA-N 435.883 4.249 5 20 IIBD C[C@H]1C[C@H](c2ccccc2F)N(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C1 464232086 HTZHCLBRLPTQRB-SUMWQHHRSA-N 441.488 4.237 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1C[C@H](n2cccn2)Cc2ccccc21 464422113 PKBIQWCXNZZPMR-HXUWFJFHSA-N 434.499 4.182 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCN([C@H](C)c3nccs3)CC2)cc1OC 464593829 OXZXMUAUJKISHG-DLBZAZTESA-N 448.589 4.364 5 20 IIBD C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464634950 DSBKSGHILDNQQI-CQSZACIVSA-N 449.301 4.195 5 20 IIBD C[C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Oc1ccc(Br)cc1 464639988 QROMAPFUUYUVEB-AWEZNQCLSA-N 448.317 4.155 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)Nc2ncc(Cl)cc2C(=O)Cc2cccc(F)c2)c1 464719665 QOUXLIVJAVTARI-UHFFFAOYSA-N 443.818 4.469 5 20 IIBD O=C(NCCc1ccccc1OC(F)(F)F)c1ccc(Br)cc1[N+](=O)[O-] 465080280 MDRFUXYATSUQQZ-UHFFFAOYSA-N 433.180 4.228 5 20 IIBD Cc1ccc(-c2nc(CNC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])co2)cc1 465191011 DMFIGIXIDFVADZ-UHFFFAOYSA-N 435.358 4.429 5 20 IIBD CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1 465262314 TWOAULAUUXZSNV-UHFFFAOYSA-N 432.479 4.495 5 20 IIBD O=C(NCc1c(F)cccc1OC(F)F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 466663231 CWFQFMNKBUEYBM-UHFFFAOYSA-N 439.390 4.088 5 20 IIBD Cc1ccc2sc(N(Cc3ccccc3)C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)nc2c1C 468790268 CFSVPOITWZUMBO-UHFFFAOYSA-N 448.504 4.216 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(OCc2ccccc2)cc1C 469554850 UEDVXZGRQRKSGY-LJQANCHMSA-N 437.500 4.353 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 475636110 FWYKYMHTSRRWDU-VQTJNVASSA-N 432.908 4.058 5 20 IIBD COc1cc(C(=O)Nc2cccc(CS(=O)(=O)c3ccccc3)c2)cc([N+](=O)[O-])c1C 480082263 QHQQUKNNCNWPDM-UHFFFAOYSA-N 440.477 4.138 5 20 IIBD CCn1c(SCC(=O)N2CCC[C@@H]3CCCC[C@@H]32)nnc1-c1ccc([N+](=O)[O-])cc1 481352030 YKTSILOLNAKHFU-YJBOKZPZSA-N 429.546 4.147 5 20 IIBD C[C@@H](c1ccccc1Br)N(C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 482463186 KJCDTXUFHLDGSX-ZDUSSCGKSA-N 429.274 4.376 5 20 IIBD Cn1ccnc1C[C@H]1CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 483272410 RFMHMBUHBOEOOJ-LJQANCHMSA-N 433.512 4.035 5 20 IIBD O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCOC2(CCCC2)C1 483307206 GFJLRNNAJABRTF-UHFFFAOYSA-N 441.450 4.002 5 20 IIBD CC(C)(C)Oc1cc(NCc2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1[N+](=O)[O-] 484760915 TXJLUFUMGXRNGD-UHFFFAOYSA-N 433.530 4.169 5 20 IIBD COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1N)CCO2 487566376 BYJBYPUREDMFNF-FQEVSTJZSA-N 433.464 4.352 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)c(Cl)c1 488369557 RLLQVSFJUOMBKG-NSHDSACASA-N 447.296 4.118 5 20 IIBD C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1Cl 489290917 KUIWRPVMMZVHKB-NSHDSACASA-N 434.855 4.236 5 20 IIBD Cc1ccc(-n2cnc3c2CCN(C(=O)c2ccc4[nH]c5ccccc5c(=O)c4c2)C3)cc1 489451536 SZNKJCRJSDFHPY-UHFFFAOYSA-N 434.499 4.374 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)cc1OC 490225026 PEMAUGWWJMFOPC-OAQYLSRUSA-N 441.528 4.205 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1[N+](=O)[O-] 493233399 DSYZVBXCSNGYPB-CQSZACIVSA-N 445.907 4.073 5 20 IIBD C[C@@H]1OCC[C@]1(C)N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 494228095 SWDCOMAPQPOCTA-GMVOTWDCSA-N 448.317 4.194 5 20 IIBD Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 495181375 CQQPRIJUFMVJGP-IBGZPJMESA-N 439.541 4.492 5 20 IIBD O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CC[C@H](O)C12CCCC2 495530498 NCKAQQFTZFECMD-FQEVSTJZSA-N 429.904 4.380 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 502129060 SRPMFQYAUSCUQT-OAHLLOKOSA-N 435.415 4.081 5 20 IIBD Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCCN1Cc1c(F)cccc1[N+](=O)[O-] 502362088 ROYWBJZPFKSMFC-OAQYLSRUSA-N 428.439 4.249 5 20 IIBD Cc1nn(CC(=O)NCc2ccc(COc3ccccc3)cc2)c2ccc([N+](=O)[O-])cc12 502850495 UCIMODXXPIPBPU-UHFFFAOYSA-N 430.464 4.148 5 20 IIBD Cc1cc(=O)c(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)nn1-c1cccc(C(F)(F)F)c1 505007569 ARZCPSNPWDAZSO-UHFFFAOYSA-N 443.341 4.185 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N1CCC[C@@H]1c1ccsc1 508927711 NXVNNXVALSMKQH-CQSZACIVSA-N 428.251 4.238 5 20 IIBD C[C@@H](NCc1c(F)cc([N+](=O)[O-])cc1F)c1cc2c(cc1Br)OCCO2 509006511 KVXICSRBSREWFC-SECBINFHSA-N 429.217 4.258 5 20 IIBD CCc1nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3I)ccc2o1 509736997 KEOSUIYWUXYOMB-UHFFFAOYSA-N 437.193 4.155 5 20 IIBD C[C@@H](NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C1=CCN(C)CC1 511330653 ABCFXSQDUXBSSS-OAHLLOKOSA-N 428.920 4.241 5 20 IIBD Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1NS(=O)(=O)c1ccccc1 515595565 MDFIRVJMIQEFSL-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD C[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccc(OCC(F)(F)F)cc1 516325995 ARCSDAYARUXJIJ-ZDUSSCGKSA-N 434.374 4.213 5 20 IIBD C[C@@H](c1ccc(F)cc1)N1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2Br)C1=O 516880383 RDKUGUUTVNNEPL-ZBEGNZNMSA-N 437.269 4.056 5 20 IIBD CCOc1ccc(CN(CCCn2ccnc2)C(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 520977246 CCVITCJKTQGRIR-UHFFFAOYSA-N 426.448 4.062 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 521922444 DWBOWHVPPJYXKT-UHFFFAOYSA-N 432.411 4.399 5 20 IIBD CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 522885862 XSCWFXQOEFCIRT-QVKFZJNVSA-N 431.920 4.357 5 20 IIBD COc1cc([C@H](C)NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)ccc1OC1CCCC1 523223119 LFAJTRKCXNMABO-AWEZNQCLSA-N 430.505 4.006 5 20 IIBD CCNC(=O)COc1cccc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1 530968121 VENLPZOAISPWNA-UHFFFAOYSA-N 425.510 4.128 5 20 IIBD CS(=O)(=O)c1ccc(N2CCC[C@@H]2c2ccc(Br)cc2)c([N+](=O)[O-])c1 530968944 SSVUYBGQJOCZPR-OAHLLOKOSA-N 425.304 4.102 5 20 IIBD CCc1ccc(C(=O)N(CC(=O)Nc2cccc(C)c2C)C[C@@H]2CCCO2)cc1[N+](=O)[O-] 531308922 TWSIMOKJXBIJLU-FQEVSTJZSA-N 439.512 4.034 5 20 IIBD CCOc1cc(CNc2ccc(C)nc2C)ccc1OCCn1c([N+](=O)[O-])cnc1C 533452393 FVASOPAOPBYIEV-UHFFFAOYSA-N 425.489 4.201 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCc2c([nH]c3ccccc23)C1 534046631 OHFRBUMFYVDCJW-UHFFFAOYSA-N 432.402 4.482 5 20 IIBD O=C(CC[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Nc1ccccc1Cl 534061292 FJOZIXCDJJFXIR-GDLZYMKVSA-N 433.873 4.181 5 20 IIBD CN(CC1(c2ccc(Br)cc2)CC1)C(=O)NCCc1cccc([N+](=O)[O-])c1 534697623 VVILAGSDFFAPTJ-UHFFFAOYSA-N 432.318 4.273 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)N(CCCO)Cc1ccc(Cl)c(Cl)c1 534721280 CPQUGCVEQMNYEN-UHFFFAOYSA-N 426.300 4.038 5 20 IIBD O=C1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 541548360 IQBSHYNIGFCBKN-IEBWSBKVSA-N 444.871 4.251 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 546665071 INJOGHVAUJTYID-UHFFFAOYSA-N 428.395 4.198 5 20 IIBD Cc1nc([C@H](C)NC(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)n[nH]1 553293450 PNAACOUWGQPUOO-XDUBLRSXSA-N 448.508 4.439 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CC(C)(C)[C@@H]2c2cnn(C)c2)cc1[N+](=O)[O-])c1ccccn1 560561038 HJLNYFDUNBUWNX-BTYIYWSLSA-N 434.500 4.120 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N(C)C3C[C@@H]4CC[C@H](C3)N4C)cc2[N+](=O)[O-])n1 561241558 UQLAFFUFPSTUIV-XYPWUTKMSA-N 432.571 4.208 5 20 IIBD COc1cc(Cc2noc(CCc3ccc(OC)c(Cl)c3)n2)c([N+](=O)[O-])c(OC)c1 573287857 RVRJWNBBVDMRSK-UHFFFAOYSA-N 433.848 4.033 5 20 IIBD Cc1occc1C(=O)Nc1nc(Cc2nc(Cc3cccc([N+](=O)[O-])c3C)no2)cs1 574613681 QYUIODPHGVZLRP-UHFFFAOYSA-N 439.453 4.078 5 20 IIBD COc1cc(Cl)c(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1C 579283130 QSSYODMZIGFJBK-UHFFFAOYSA-N 433.877 4.097 5 20 IIBD CN(C)c1cccc(CCc2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)c1 580125663 UZBPRZUFIHONBQ-UHFFFAOYSA-N 431.290 4.182 5 20 IIBD CC(C)OCc1ccccc1CNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 582980100 QLBCJYPOQCITTF-UHFFFAOYSA-N 427.501 4.072 5 20 IIBD Cc1c(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cnn1-c1ccc(Cl)cc1 588856221 SZWPABLYEBXYRJ-UHFFFAOYSA-N 427.269 4.197 5 20 IIBD CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 598953340 RLLARKFVBMOSTC-LJQANCHMSA-N 433.464 4.119 5 20 IIBD COCCN(C(=O)c1cc(C(C)(C)C)nn1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603946884 SVKBOSMEUQIVJM-UHFFFAOYSA-N 443.529 4.043 5 20 IIBD CCC[C@H](NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1cccc(C(F)(F)F)c1 608850539 AGNDKZYQFPHRNR-HNNXBMFYSA-N 437.374 4.179 5 20 IIBD O=C(NC[C@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1)Nc1cccc(F)c1 609113557 RNPRIJSCQICXHF-CQSZACIVSA-N 440.431 4.154 5 20 IIBD O=C(Nc1ccc(OCc2cccc(F)c2)c(F)c1)c1cc([N+](=O)[O-])cc2c1OCCO2 609127954 YACCTNCICNTAQN-UHFFFAOYSA-N 442.374 4.476 5 20 IIBD CCCOc1ccc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c(C)c1 609411311 WCPUPTMLDUMUFX-UHFFFAOYSA-N 429.292 4.255 5 20 IIBD C[C@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1cccc([N+](=O)[O-])c1 609471256 LXAHMGGEBYXMAU-JTSKRJEESA-N 432.480 4.205 5 20 IIBD O=C(NCC1(c2ccccc2)CCCCC1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 609499531 KRJZXZQLFYCGTO-GOSISDBHSA-N 441.553 4.279 5 20 IIBD CC(C)(C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1)n1cc([N+](=O)[O-])cn1 609645310 CURUFKQJYJLOIC-UHFFFAOYSA-N 427.848 4.071 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1O[C@@H](C)c1ccccc1 609667029 ZCSWGHYNUUILPH-IRXDYDNUSA-N 433.464 4.492 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H](Cn2cnc3ccccc32)C1 619544282 DFIYATPAOFWKGI-JKSUJKDBSA-N 442.903 4.304 5 20 IIBD CC(C)Sc1ccc([C@H](C)NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cc1 728832385 MFLFEXHWZJIRJN-GOEBONIOSA-N 445.516 4.465 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)CC1 730196635 ULBNNTSRPMTKCB-QGZVFWFLSA-N 444.482 4.118 5 20 IIBD O=C(Nc1nnc(Cc2cccc(F)c2)s1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 730502671 YVHJBWCEYMJRDS-UHFFFAOYSA-N 441.488 4.419 5 20 IIBD O=Cc1ccc(OCC(=O)N[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)c([N+](=O)[O-])c1 731622583 MVZLPOHJSQNOFA-FQEVSTJZSA-N 440.402 4.165 5 20 IIBD CCc1nnc([C@@H](C)OC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)o1 732310923 AUQIXNXDXGCAFE-LLVKDONJSA-N 429.816 4.343 5 20 IIBD O=C(OCc1c(Cl)ccc2cccnc12)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 733558803 NDCRNVFCFIOAPW-OAHLLOKOSA-N 445.884 4.206 5 20 IIBD CCC[C@H](NC(=O)[C@@H](C)OC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1ccccc1 735353520 JBYJDYHEIMJTRF-KUHUBIRLSA-N 437.452 4.052 5 20 IIBD Cn1ccnc1COc1ccc(COC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 739522469 MJIDZHMTMCATNE-UHFFFAOYSA-N 446.257 4.027 5 20 IIBD CN1C(=O)C[C@@H](COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc(Cl)c1 740563041 VNDBJACHARSIJU-YWZLYKJASA-N 430.888 4.289 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(C(=O)OC(C)(C)C)c2ccccc21 741954319 FOSYSNOAAGBXNP-UHFFFAOYSA-N 427.457 4.395 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)O[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)c1 744723218 VRQDCQOUZKVZMU-ZDUSSCGKSA-N 440.374 4.261 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 745073832 KYDNZKTXESGYRK-ZDUSSCGKSA-N 434.876 4.413 5 20 IIBD CS(=O)(=O)Nc1cc2ccccc2cc1C(=O)OCc1cc(Cl)ccc1[N+](=O)[O-] 746060407 IJPWIXJGNATDOP-UHFFFAOYSA-N 434.857 4.130 5 20 IIBD CC(C)[C@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)N1C[C@H](C)C[C@@H](C)C1 747957720 RGNBDUDCTGCCHI-CLCXKQKWSA-N 445.541 4.404 5 20 IIBD CC(=O)Nc1cc(S(=O)(=O)Oc2ccc(Cc3ccccc3)cc2[N+](=O)[O-])ccc1C 748067907 MMOYRCMUBGJFTH-UHFFFAOYSA-N 440.477 4.220 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)cc([N+](=O)[O-])c1 748649367 BMASTGMATMIUEA-UHFFFAOYSA-N 437.477 4.258 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 750608080 BJGPHGNXXVNUGT-JKSUJKDBSA-N 445.520 4.285 5 20 IIBD CCOc1c(Cl)cc(CNC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1OC 751092636 HIWBQRGYLROJID-UHFFFAOYSA-N 443.681 4.348 5 20 IIBD CCCc1c(C(=O)O[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cnn1C1CCCC1 751846837 YLYVGRNHNVRNDK-CYBMUJFWSA-N 432.452 4.182 5 20 IIBD C[C@@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])[C@@H](O)c1c(Cl)cccc1Cl 751961418 KHAWOEWSLLWZIB-ADLMAVQZSA-N 449.294 4.400 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 752115642 YMYNIKUNKLKOST-DHIUTWEWSA-N 434.496 4.289 5 20 IIBD CS(=O)(=O)CC1(CNC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)CC1 752729106 NQSNOJIXGXQPIS-UHFFFAOYSA-N 447.556 4.488 5 20 IIBD CC1([C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)C2)OCCO1 753324429 KBGBRRUPYVEPLT-INIZCTEOSA-N 428.510 4.361 5 20 IIBD COC(=O)c1ccc([C@H](OC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C(F)(F)F)cc1 754365081 JPMAZQQHFILGSE-HWPZZCPQSA-N 429.322 4.471 5 20 IIBD COc1ccc(C2(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)CCC2)cc1OC 754384068 MHZIEYGXEVQRMQ-UHFFFAOYSA-N 435.274 4.435 5 20 IIBD C[C@H](OC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1cccc(Br)c1 755059801 HBCLYBCPZFJSJO-MNOVXSKESA-N 439.237 4.170 5 20 IIBD O=C(CCNC(=O)c1ccc2ccccc2c1)Nc1ccc(Br)c([N+](=O)[O-])c1 755369810 HYJWOCFLZUPGAB-UHFFFAOYSA-N 442.269 4.269 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCN(c2nc3ccccc3s2)C1 756998223 XYWNOKKOYSCFCV-CYBMUJFWSA-N 430.917 4.391 5 20 IIBD CCC[C@@H](C)c1noc(-c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2O)n1 761841688 HAYOCESXDUCMJJ-GFCCVEGCSA-N 432.458 4.055 5 20 IIBD Cc1cc(Cc2noc([C@H]3CC34CCN(C(=O)OC(C)(C)C)CC4)n2)ccc1[N+](=O)[O-] 762300968 WUVLMGDMMGSLIS-MRXNPFEDSA-N 428.489 4.382 5 20 IIBD Cc1cc(Br)ccc1CC(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 763022866 ZWPXOTUHZYZIPM-UHFFFAOYSA-N 448.317 4.063 5 20 IIBD COc1ccc(SC)c(OC)c1C(=O)OCc1ccc([N+](=O)[O-])cc1Br 763486240 XTHRMAVIYBYPFM-UHFFFAOYSA-N 442.287 4.453 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CNC2(c3nccs3)CCCC2)c1=S 764125827 MORURYVQOKYDKZ-UHFFFAOYSA-N 430.559 4.482 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 764394963 RTIUYBULFPIJGZ-VGOFRKELSA-N 435.480 4.357 5 20 IIBD CN(C)C1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)cc2F)CC1 765772688 RYGPWPCVAIFJIX-UHFFFAOYSA-N 437.475 4.065 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 769423755 GVOXOQYFHUISLW-ZIAGYGMSSA-N 429.464 4.321 5 20 IIBD CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 769682819 WVTGEGPBODGZGV-GOSISDBHSA-N 428.876 4.052 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N[C@H]1CCN(c2ccccc2OC(F)F)C1 769999364 WIVNTYWTXUOIEY-LBPRGKRZSA-N 426.807 4.250 5 20 IIBD O=C(O[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1c(Cl)cccc1[N+](=O)[O-] 770369799 ICCCSCXCMOWOFW-CQSZACIVSA-N 428.750 4.229 5 20 IIBD Cn1c([C@@H](NC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)c2ccccc2)nc2ccccc21 771505160 YIAGLYZAXJFHIP-IBGZPJMESA-N 444.476 4.006 5 20 IIBD O=C(OCc1cn(-c2ccccc2Cl)nn1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 772181327 LGFFDMTYZKNHCW-UHFFFAOYSA-N 441.856 4.309 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cccc(NC(=O)[C@@H]3Cc4ccccc4O3)c1)CC2 773996081 ITLLHTRZDSXNFN-QHCPKHFHSA-N 443.459 4.048 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H](O)c1cc(Cl)cc(Cl)c1 778737460 DRXMBAXFDITSKF-INIZCTEOSA-N 432.691 4.130 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 779564274 ARBLFYYXGWBOEH-FQEVSTJZSA-N 440.887 4.264 5 20 IIBD COC(=O)Cc1ccc(OC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(F)c1 781198123 WXDZRQRAZQEXDR-UHFFFAOYSA-N 447.362 4.166 5 20 IIBD C[C@@H](OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)N1CCCc2ccccc21 781261403 UGMIFWQEIHATBL-MRXNPFEDSA-N 426.472 4.206 5 20 IIBD O=C(CCCCNC(=O)c1ccc(Br)c([N+](=O)[O-])c1)OCc1ccccc1 781740851 TZYJHWGTDOEDGA-UHFFFAOYSA-N 435.274 4.001 5 20 IIBD CN(Cc1ccc(Br)s1)C(=O)c1cccc([N+](=O)[O-])c1Br 782162482 NZBDYVGLSWCWAI-UHFFFAOYSA-N 434.109 4.454 5 20 IIBD CC(C)(C)OC(=O)c1ccccc1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 787321245 UKEWTQWOAJNWNX-UHFFFAOYSA-N 425.485 4.152 5 20 IIBD COc1ccc(CC(=O)N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)cc1[N+](=O)[O-] 787664965 JFSQOYQOPDLFFX-UHFFFAOYSA-N 446.503 4.323 5 20 IIBD O=C(COC(=O)COc1ccc(-c2ccccc2)cc1)Nc1cc([N+](=O)[O-])ccc1Cl 789756382 CMINOWYMBIFRLU-UHFFFAOYSA-N 440.839 4.476 5 20 IIBD COc1cc(Br)c(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])cc1OC 790542294 PUNRQLXDIJBQFU-UHFFFAOYSA-N 447.644 4.348 5 20 IIBD COc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)c2c[nH]c3ccccc23)cc1 791310810 IMAYIUXHKWFTEO-SFHVURJKSA-N 448.454 4.368 5 20 IIBD O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 791714418 YEPOYDUDBZBKGU-UHFFFAOYSA-N 446.803 4.273 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)O[C@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 792688541 ZHYBJTFHWJYZQF-LLVKDONJSA-N 447.419 4.489 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ccncc2C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 794845661 CUBNZECWMHSRDQ-UHFFFAOYSA-N 431.326 4.480 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 796174399 KZVNOHZNRGFULV-CQSZACIVSA-N 443.456 4.434 5 20 IIBD CC(C)(C)OC(=O)NC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)C(C)(C)C 798808192 CKDQSRHFYVOVEZ-AWEZNQCLSA-N 444.326 4.027 5 20 IIBD Cc1cc(NC(=O)c2cccnc2)ccc1OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 799468309 FPZDNHBOAQUCAV-UHFFFAOYSA-N 446.463 4.370 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc(Cl)nc1Cl 800190745 QPJSEQIRZUEWOJ-UHFFFAOYSA-N 445.280 4.309 5 20 IIBD COC(=O)[C@H](OC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccccc1C(F)(F)F 800468377 AIHALXQJYAAZFU-MGPLVRAMSA-N 429.322 4.314 5 20 IIBD O=[N+]([O-])c1ccc(OCCCN2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)cc1 801543624 GRBMGFWZVVCPEM-UHFFFAOYSA-N 440.418 4.246 5 20 IIBD CC(=O)c1oc2cc(C)ccc2c1CC(=O)O[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 805664479 JTJAGACPKIVHPP-ZDUSSCGKSA-N 442.399 4.104 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCc1cccnc1Br 805935241 ADWILISADZPCGE-UHFFFAOYSA-N 430.052 4.180 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N[C@H](c2ccccc2)c2ccccn2)c(Cl)cc1Cl 809805784 MTMFNHBBFIQDHA-GOSISDBHSA-N 438.292 4.365 5 20 IIBD CC1(CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCN(C(=O)OC(C)(C)C)CC1 809915563 RHUOHZSNSHLYRU-UHFFFAOYSA-N 426.901 4.407 5 20 IIBD Cc1ncccc1COC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 810890235 FIDOJECOOPCGPW-UHFFFAOYSA-N 428.448 4.437 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1ccccc1CS(=O)(=O)c1ccccc1 813246277 FWNQJISRQCHOJP-UHFFFAOYSA-N 430.869 4.474 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)c1c[nH]c(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 814326936 FNICEHHKNMTREA-OAHLLOKOSA-N 439.390 4.184 5 20 IIBD C[C@@H](Cc1cnc2ccccc2n1)C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1 815465830 NHJOUXYYXFTPLD-LBPRGKRZSA-N 430.258 4.223 5 20 IIBD CCc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ncc2Br)N(CC)CC)cc1 817157472 IBYJYVLZMIVAKJ-GOSISDBHSA-N 449.349 4.128 5 20 IIBD CNC(=O)c1cc(Br)ccc1NCc1c(Br)cccc1[N+](=O)[O-] 864009317 LDWSSALAWFUYSD-UHFFFAOYSA-N 443.095 4.092 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccccc1NC(=O)c1cccs1 875257433 RYMOZHGYTXOENT-UHFFFAOYSA-N 439.449 4.013 5 20 IIBD CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 916398450 KQPMKNXNXZECLY-KRWDZBQOSA-N 438.528 4.500 5 20 IIBD Cc1ccc(N2C(=O)C[C@@H](C(=O)NCc3ccccc3[N+](=O)[O-])[C@@H]2c2cccs2)cc1 916422600 DATDWHSNODJCHX-XMSQKQJNSA-N 435.505 4.375 5 20 IIBD O=C(Nc1nc2ccccc2n1-c1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 916467874 ALMRGPBVSSGPCU-UHFFFAOYSA-N 443.463 4.023 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(N3CCc4[nH]c5ccc(Br)cc5c4C3)cc2N1 917054302 LANGNKLTADRXFF-UHFFFAOYSA-N 441.285 4.286 5 20 IIBD Cc1c(C(=O)OCC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)cccc1[N+](=O)[O-] 918876979 HPMMGQPKHJPMDT-JOCHJYFZSA-N 430.460 4.234 5 20 IIBD O=C(COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)NCC1(c2ccc(F)cc2)CCCC1 919023039 BXZLXXYAYFSFAF-UHFFFAOYSA-N 439.443 4.000 5 20 IIBD COC(=O)c1sc2cccc(F)c2c1COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 919220260 NYEWEMMYHGSHRN-UHFFFAOYSA-N 434.357 4.000 5 20 IIBD C[C@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1ccc(F)cc1OC(F)F 1319660042 IRLKGROQLMCESV-NSHDSACASA-N 434.374 4.473 5 20 IIBD Nc1c(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc(Br)cc1[N+](=O)[O-] 1321252372 VSBJILYYLWXQNR-UHFFFAOYSA-N 427.258 4.178 5 20 IIBD COc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CCC2)c1 1785749547 DJZHVFGCKJGRSY-UHFFFAOYSA-N 435.436 4.258 5 20 IIBD Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(O)cc([N+](=O)[O-])c4)CCC3)cc2)n1 1787324948 VDASRSZLLBCMKQ-UHFFFAOYSA-N 446.463 4.065 5 20 IIBD Cn1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc(F)c4[N+](=O)[O-])cc3)CCC2)c1 1790698077 MGXUFSRXWFGZMV-UHFFFAOYSA-N 436.443 4.134 5 20 IIBD Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C3)c(C)c1 1799595342 DEIYOAFCQQNHRZ-WKCHPHFGSA-N 435.524 4.096 5 20 IIBD Cc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccccc2Cl)C3)cc1[N+](=O)[O-] 1800138210 OJPIYVVOMUSURI-BCDXTJNWSA-N 441.915 4.051 5 20 IIBD Cc1ccc(CC(=O)N2CCC3(CCCN(C(=O)CC(C)(C)C)C3)CC2)cc1[N+](=O)[O-] 1809040922 NSUKOSJTNRRQBD-UHFFFAOYSA-N 429.561 4.113 5 20 IIBD CC1=CC[C@@H](C(=O)N2CC3(CCCN3C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C2)CC1 1845739063 ICXANDWMWGVBRV-MRXNPFEDSA-N 439.537 4.373 5 20 IIBD CCCCC[C@H](C)C(=O)N1CC2(CCCN2C(=O)CSc2ccccc2[N+](=O)[O-])C1 1846303636 AMACNTBRYHOKGU-KRWDZBQOSA-N 433.574 4.107 5 20 IIBD Cc1c(F)cccc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(Cl)cc([N+](=O)[O-])c1C 1847373511 UABRNIAJOHRCJE-OALUTQOASA-N 445.878 4.133 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc(Sc3nc(C)cc(C)n3)cc2)cc([N+](=O)[O-])c1 11286017 VUYFYYIIEXRLKX-UHFFFAOYSA-N 438.465 4.192 5 20 IIBD Cc1nc(-c2ccccc2)c(C(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)s1 18764907 GIBIYAQHSYCTEL-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)NCc2cccc(NC(=O)CC(C)C)c2)cc1[N+](=O)[O-] 64403701 SNUWKUARDKHELL-UHFFFAOYSA-N 439.921 4.020 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NCc1ccc([N+](=O)[O-])cc1 64421078 UURYNNUVQBCVFV-UHFFFAOYSA-N 430.439 4.446 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl 64779932 NDKMOPCDCHHNPU-SECBINFHSA-N 446.674 4.077 5 20 IIBD Cc1cc(=O)c(C(=O)Nc2ccccc2-c2cccs2)nn1-c1ccccc1[N+](=O)[O-] 105355627 KHJIOIQYGBFOBD-UHFFFAOYSA-N 432.461 4.430 5 20 IIBD C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cc2c(cc1Br)OCCO2 108227133 BGWBJOOQSAUPJP-VIFPVBQESA-N 441.665 4.273 5 20 IIBD Cc1noc(COC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)n1 139816787 HAFSJUMLMJWPFG-UHFFFAOYSA-N 436.468 4.102 5 20 IIBD COc1ccc([C@@H](Nc2cccc(F)c2[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 301460304 IUDDQONYEQLNSH-HXUWFJFHSA-N 430.457 4.348 5 20 IIBD COc1cc(C=O)c(Br)cc1Oc1ncc(Br)cc1[N+](=O)[O-] 301676388 HOLGCUGRUNEVDN-UHFFFAOYSA-N 432.024 4.128 5 20 IIBD O=[N+]([O-])c1cc(Cl)cnc1NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 301754363 WPRODUSNDAKCAY-UHFFFAOYSA-N 442.882 4.116 5 20 IIBD C[C@@H](NC1(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCCC1)c1ccccc1 303340810 FKHHSECIKBGSCF-GOSISDBHSA-N 433.512 4.174 5 20 IIBD O=[N+]([O-])c1cnc(N[C@@H]2COc3cc(F)c(Br)cc32)c(Br)c1 409529645 VFGHBSRTXJMERD-LLVKDONJSA-N 433.031 4.200 5 20 IIBD O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 426272792 ACXOJRBXKLSTNG-UHFFFAOYSA-N 440.872 4.129 5 20 IIBD Cc1cc(C)n(C[C@H](NCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C(=O)O)n1 426718124 ABHAUQLXQLXSHZ-SFHVURJKSA-N 444.875 4.097 5 20 IIBD Cc1ccc([C@H](CC(=O)OC(C)C)NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 429959559 BORJLXVBFSPWKS-KRWDZBQOSA-N 449.301 4.479 5 20 IIBD CC(C)c1[nH]nc(C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)c1[N+](=O)[O-] 433762543 PTYHRUXIBUIKLA-CYBMUJFWSA-N 431.251 4.101 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(Sc2ccncc2)cc1 435780401 CPRGIRSECWEOHO-QGZVFWFLSA-N 426.502 4.012 5 20 IIBD C[C@@H]1C[C@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CN1Cc1ccccc1 444222254 FMWZJZWSXSHBTM-BEFAXECRSA-N 447.485 4.352 5 20 IIBD C[C@H](NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)[C@H]1CCCN(C2CCC2)C1 444304056 OPNMANODXOBBNG-GJZGRUSLSA-N 439.506 4.342 5 20 IIBD Cc1cccc(COc2cccc(CC(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)c2)c1 444638628 WPJSAUBXVRGCLY-UHFFFAOYSA-N 430.464 4.217 5 20 IIBD CC(C)c1[nH]nc(-c2nc(CC(=O)Nc3ccccc3Oc3ccccc3)no2)c1[N+](=O)[O-] 445326566 BYADHQWGOTVSSA-UHFFFAOYSA-N 448.439 4.465 5 20 IIBD CCc1nnc(-c2cccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Br)c2)o1 446035503 LSEAFVULZDNNDV-UHFFFAOYSA-N 431.246 4.151 5 20 IIBD COc1ccc(C2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)CC2)cc1 446105240 YXGZQOODTTXJJI-UHFFFAOYSA-N 433.302 4.315 5 20 IIBD O=C(Nc1ccc(F)cc1)c1ccc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 447588971 WPNDOWBITGGTLC-RTWAWAEBSA-N 437.475 4.456 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1 461432361 UQSZVTKYBPCOEE-PMACEKPBSA-N 448.548 4.312 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)Nc2cc(C3CC3)ccn2)cc1[N+](=O)[O-] 461447592 OGUBYZYFQAAFRH-UHFFFAOYSA-N 430.464 4.417 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H](n3cc(Cl)cn3)C2)cc1 461637222 UBIUNKIDZPXCSK-INIZCTEOSA-N 442.859 4.333 5 20 IIBD CC(C)S(=O)(=O)Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 463650290 QFRAVOMVISQXRA-UHFFFAOYSA-N 430.404 4.189 5 20 IIBD O=C(CN(CCCOc1ccccc1)C1CCOCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] 464591289 DINGKLPIDXJMLG-UHFFFAOYSA-N 447.919 4.137 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 464721175 VJHVCLHTZBWBDI-UHFFFAOYSA-N 445.541 4.363 5 20 IIBD CN(CC(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1ccccc1[N+](=O)[O-] 464722746 BALGSRGTTGNDFD-UHFFFAOYSA-N 437.353 4.013 5 20 IIBD O=C(NCc1ccccc1Sc1ccccc1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 472615444 YQNVUHUQFDOZGO-UHFFFAOYSA-N 425.441 4.140 5 20 IIBD Cc1c(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cccc1N1C(=O)CNC1=O 475552112 QTTROQBLOCNZBA-UHFFFAOYSA-N 440.843 4.485 5 20 IIBD C[C@@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccc(Br)cn1 477784174 POHUVCDMWHHJIB-SECBINFHSA-N 448.195 4.184 5 20 IIBD O=C(CSc1nc2c(n1-c1ccccc1)CCCC2)N1CCc2cc([N+](=O)[O-])ccc21 478108389 GCRRYLTZCWYREO-UHFFFAOYSA-N 434.521 4.341 5 20 IIBD CCCCC1CCC(c2cc(NC(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)n[nH]2)CC1 479776215 NABZBGSPRQNEJR-UHFFFAOYSA-N 448.545 4.438 5 20 IIBD CS(=O)(=O)c1cc(C(=O)Nc2ccc3nc(C4CCCCC4)[nH]c3c2)cc([N+](=O)[O-])c1 480082158 DVOOXRCYDICKBZ-UHFFFAOYSA-N 442.497 4.175 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCc3ncnn3-c3ccccc3)c([N+](=O)[O-])c2)cc1 480498786 YLBIUEDKOCSIMA-UHFFFAOYSA-N 428.452 4.348 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2CCC[C@@](C)(OC)CC2)c([N+](=O)[O-])c1 480828951 LWKFRKVLCUGQMN-HSZRJFAPSA-N 426.469 4.008 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)NCCc2c[nH]c3cc(Cl)cc(Cl)c23)cc1 480845671 QINRKSGCQIAPRA-UHFFFAOYSA-N 428.297 4.045 5 20 IIBD CCn1c(SCCn2ccc([N+](=O)[O-])n2)nc2scc(-c3cccs3)c2c1=O 481257865 XMMZYDZRNZBYMP-UHFFFAOYSA-N 433.540 4.103 5 20 IIBD Cc1cc2sc(NS(=O)(=O)c3ccc(Br)cc3[N+](=O)[O-])nc2cc1F 481866646 SJLUWYUCPYSORH-UHFFFAOYSA-N 446.279 4.215 5 20 IIBD O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 482367640 DPVNTUGWTCPNNO-KRWDZBQOSA-N 444.360 4.008 5 20 IIBD Cc1ccccc1[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)C1CC1 485658986 VXHVJJGFWNYLLG-KRWDZBQOSA-N 436.249 4.389 5 20 IIBD COc1cc(C(=O)NC2(CC(=O)O)CCC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 486051818 IJNJVQDRLYFYOY-UHFFFAOYSA-N 434.832 4.176 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NCc1noc(Cc2ccc(Br)cc2)n1 486171375 NMFPMVCMJBVKMD-UHFFFAOYSA-N 433.262 4.342 5 20 IIBD Cc1ccc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(Sc2ccccc2)n1 487710409 QRENHDCZGDUAEU-INIZCTEOSA-N 435.509 4.171 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)c1ccc(NC(=O)c2ccccc2)cc1 487919079 SPNFFUWRABXLTP-UHFFFAOYSA-N 427.416 4.045 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@H]3CCOC4(CCCCC4)C3)cc2)c(C)c1[N+](=O)[O-] 488953633 XQTHMFJCOAVDKM-FQEVSTJZSA-N 426.517 4.068 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Br)c(C)n1 489979027 GNOLXLSFUAGDGT-UHFFFAOYSA-N 426.292 4.052 5 20 IIBD CCc1ccc(NC(=O)c2nnc(CN(Cc3ccc([N+](=O)[O-])cc3)C3CC3)s2)cc1 490821861 POQUVMPLAKTLFI-UHFFFAOYSA-N 437.525 4.426 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CC(N)=O)c1cccc(Cl)c1 495399457 GTINUGPWCHQATR-QGZVFWFLSA-N 435.933 4.343 5 20 IIBD O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1 498286947 IPTOSYZGVGSTSX-UHFFFAOYSA-N 447.495 4.210 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 498857398 AXIRLOHNQGGADN-MRXNPFEDSA-N 446.328 4.429 5 20 IIBD Cn1c(C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccc(Cl)cc2)ccc1[N+](=O)[O-] 499141845 NNLMHVSVLYGKKD-UHFFFAOYSA-N 438.871 4.318 5 20 IIBD COc1cc(CSCc2cnn(C)c2C(F)(F)F)c([N+](=O)[O-])cc1OCC(F)F 502397844 HLBMVOBFSTZRDF-UHFFFAOYSA-N 441.378 4.433 5 20 IIBD CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 504912292 TZMWGVFFFBLEMW-XLIONFOSSA-N 429.542 4.373 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1ccccc1Oc1ccccc1 506141998 CYVCJCAKBHGFAF-SJORKVTESA-N 433.464 4.383 5 20 IIBD COc1cc([N+](=O)[O-])ccc1OCC(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 509051488 OOACPUQIQWUGRS-FQEVSTJZSA-N 445.475 4.412 5 20 IIBD CCCC[C@H](NC(=O)c1cccc(C)c1[N+](=O)[O-])C(=O)Nc1cccc(N2CCCC2)c1 509094967 DEHFNUQRZFZCRS-NRFANRHFSA-N 438.528 4.431 5 20 IIBD CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)s1 513040007 FGKRABXCGBVCSZ-STQMWFEESA-N 445.570 4.490 5 20 IIBD O=C(c1ccc(F)cc1F)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 514099814 RBUQUACKMNBSIN-UHFFFAOYSA-N 427.407 4.091 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 514641201 LOOWIAPQNMYXLG-GASCZTMLSA-N 445.541 4.131 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)Nc1nc(C(F)(F)F)cs1)c1ccccc1[N+](=O)[O-] 515101932 NKUHPFRXUAKIMB-LLVKDONJSA-N 446.407 4.275 5 20 IIBD C[C@H](NC(=O)C[C@@H](NC(N)=O)c1cccc(Oc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 516523068 RHVOAICSBOKPIH-KSFYIVLOSA-N 448.479 4.364 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 517794707 WGRWMWLFDBVKOV-NSHDSACASA-N 444.900 4.496 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N(C)CCc2ccc(Br)cc2)cc1OC 518561248 SGVQNINLNYMQGD-UHFFFAOYSA-N 437.290 4.079 5 20 IIBD CC[C@H](C)CN(C)C(=O)c1ccccc1NS(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 520368924 RJEFMLLVJMUDOS-AWEZNQCLSA-N 433.530 4.131 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 521544591 NBFXIRINUSXKKQ-UHFFFAOYSA-N 436.449 4.083 5 20 IIBD O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 521794209 MSWZMMQTHQZTQF-UHFFFAOYSA-N 432.484 4.042 5 20 IIBD C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 522360930 BIDVEAIYEBZGOD-HNNXBMFYSA-N 436.468 4.088 5 20 IIBD CC(C)(C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1Cl)n1cc([N+](=O)[O-])cn1 522472562 XQWOFPSVCALAGP-UHFFFAOYSA-N 427.848 4.071 5 20 IIBD CCC(=O)c1cc(Br)ccc1OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 522685142 POFMKTMVFYFYMI-UHFFFAOYSA-N 449.257 4.327 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=O)C2(Sc3ccccc3)CCCC2)CC1 523976959 MJDZTTCMTVGIDO-UHFFFAOYSA-N 445.566 4.046 5 20 IIBD CCCCOc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cc1OC 524295785 PUVBRIZRDNIAIV-AWEZNQCLSA-N 430.457 4.045 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2sc(C)nc2-c2ccccc2)cc1OC 524377769 QRSGBSIZOCYJBG-UHFFFAOYSA-N 443.481 4.313 5 20 IIBD C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 524865677 BIQWVBBGXFTTQL-KRWDZBQOSA-N 431.920 4.140 5 20 IIBD O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)c1cc2cc([N+](=O)[O-])ccc2o1 525553537 UKFHOJVUKKHCRU-UHFFFAOYSA-N 429.738 4.217 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1nccn1Cc1ccc(Br)cc1 531042169 VAAKDXOURLYXDY-UHFFFAOYSA-N 449.692 4.437 5 20 IIBD O=[N+]([O-])c1cc(CNC2CCN([C@@H]3CCCC[C@H]3O)CC2)ccc1Oc1ccc(F)cc1 531759127 GBLGWUHWADWQBO-FYYLOGMGSA-N 443.519 4.384 5 20 IIBD C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 532552383 KFKFYTDWHAPSQV-HNNXBMFYSA-N 425.464 4.016 5 20 IIBD COc1cc(CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C2CC2)ccc1OC(F)F 532918764 TYTNIQZYIUWIKB-UHFFFAOYSA-N 446.410 4.419 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1CNc1ccc(NC(=O)CCN2CCCCC2)cc1 533211051 VHULOFUSLMLLES-UHFFFAOYSA-N 426.517 4.420 5 20 IIBD COc1cc(C(=O)N2CCOC[C@H]2C2CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 534119021 QSYOCFLTSHNGAW-KRWDZBQOSA-N 432.860 4.300 5 20 IIBD COc1ccccc1-c1nn(C)cc1C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 537150789 RLBTVSGCBNRSCQ-UHFFFAOYSA-N 449.492 4.404 5 20 IIBD O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1cccc([N+](=O)[O-])c1N1CCOCC1 537340363 GVPOXEDUXJAPCP-INIZCTEOSA-N 433.917 4.052 5 20 IIBD Cc1ccc(-n2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2C)cc1 540497867 IBCSBZSHPBVCLB-UHFFFAOYSA-N 440.403 4.217 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 540805421 QGWLZTDEYWCZKX-DNVCBOLYSA-N 431.558 4.103 5 20 IIBD O=C(NCCc1c[nH]c2ccc(Br)cc12)N1CCc2ccc([N+](=O)[O-])cc2C1 541517690 AXTDGSGMZVLPBR-UHFFFAOYSA-N 443.301 4.149 5 20 IIBD CCc1ccc([C@@H](NCC(=O)Nc2ccc(F)c(F)c2F)c2ccc([N+](=O)[O-])cc2)o1 541546136 RBMIXYZBHLBFEV-NRFANRHFSA-N 433.386 4.485 5 20 IIBD Cc1cc(-c2noc([C@H](C)NCCC(=O)Nc3cccc([N+](=O)[O-])c3C)n2)ccc1F 541687900 ZQPRFLBJFPLYRL-AWEZNQCLSA-N 427.436 4.080 5 20 IIBD COc1ccc(NC(=O)c2ccccc2OCc2cn3cc(C)ccc3n2)cc1[N+](=O)[O-] 543858583 NLZFELWLJFTHCG-UHFFFAOYSA-N 432.436 4.391 5 20 IIBD COc1cc(CNc2ccc(Cl)c(C[S@@](C)=O)c2)c([N+](=O)[O-])cc1OCC(F)F 544043196 ODHGDMKUIBIZNW-GDLZYMKVSA-N 448.875 4.391 5 20 IIBD CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1ccc([N+](=O)[O-])cc1F 544626751 QUVXAFCKEARBMT-BYICEURKSA-N 426.448 4.033 5 20 IIBD CC(=O)c1cccc(OCc2cc(-c3nc(CCNc4ccccc4[N+](=O)[O-])no3)no2)c1 545676051 ZWLMRIVTEDBCEG-UHFFFAOYSA-N 449.423 4.069 5 20 IIBD CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](Cc2ccccc2)C1 549355379 UANQNPYVCYVEMG-HXUWFJFHSA-N 435.528 4.349 5 20 IIBD O=[N+]([O-])c1ccc(Cc2nc(-c3cn4ccc(Br)cc4n3)no2)c(Cl)c1 558518710 DESCXWZVNDAJJF-UHFFFAOYSA-N 434.637 4.299 5 20 IIBD COc1ccc(Cn2cc(NC(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])cn2)cc1 560834909 OFHQGSSGPHBFBS-UHFFFAOYSA-N 429.436 4.163 5 20 IIBD COc1cc(C(=O)Nc2nnc(-c3cccc(OC(F)(F)F)c3)s2)ccc1[N+](=O)[O-] 561155823 YRLPFNIUZSCVBN-UHFFFAOYSA-N 440.359 4.273 5 20 IIBD CCOc1cc(NC(=O)NCc2cc(C)nc(N3CCCC3)c2)c([N+](=O)[O-])cc1OCC 569514107 UVJUINSLIOOVGS-UHFFFAOYSA-N 443.504 4.018 5 20 IIBD CCc1ccc([C@H](Nc2c([N+](=O)[O-])nc(C)n2CC)c2cccc(S(C)(=O)=O)c2)cc1 570596459 DXDMEZWPLQBPQV-FQEVSTJZSA-N 442.541 4.287 5 20 IIBD Cc1ccc(-c2ccsc2C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 570880307 VTVXDGCQYJRDDZ-UHFFFAOYSA-N 435.505 4.230 5 20 IIBD O=C(Nc1ccc2nccnc2c1Br)c1ccc(NC2CC2)c([N+](=O)[O-])c1 571244002 PJNBAQKAPWDINH-UHFFFAOYSA-N 428.246 4.127 5 20 IIBD COC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1cccc(Cl)c1 571362444 QZKNCSHGEGZSTG-INIZCTEOSA-N 427.682 4.057 5 20 IIBD C[C@H](SCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)NCCc1ccc(F)cc1 574104138 AYDUJRSGFGVWFG-AWEZNQCLSA-N 429.473 4.370 5 20 IIBD CCOc1ccc([C@H](C)NCCCS(=O)(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 575077685 LQBWFJNWXVSUCZ-AWEZNQCLSA-N 426.922 4.162 5 20 IIBD CC(C)(C)c1ccc(C(=O)Nc2nc(-c3cccc(-n4cnnn4)c3)cs2)cc1[N+](=O)[O-] 603569943 IUWBCNKLIFWFKE-UHFFFAOYSA-N 449.496 4.244 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@H](c1ccc(F)cc1)c1cccs1 603704899 JEJJOVUUHPZQSQ-QGZVFWFLSA-N 433.848 4.293 5 20 IIBD COc1cccc(Oc2ccc(CNc3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])cn2)c1 603866457 YOPRIOURDHPYEZ-UHFFFAOYSA-N 434.452 4.295 5 20 IIBD COc1ccc(CNC(=O)CSc2ccc(Br)cc2C)cc1[N+](=O)[O-] 604016664 MYIXJEOMUHUHKS-UHFFFAOYSA-N 425.304 4.083 5 20 IIBD Cc1nc(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)sc1Cc1ccccc1Cl 608804742 IYWKJAQGFLGWRW-UHFFFAOYSA-N 433.921 4.446 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@@H](CO)c2cccc(F)c2)cc1 609708691 QXGFYRKGKAEMBA-QHCPKHFHSA-N 432.455 4.410 5 20 IIBD Cc1nccc(CNC(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)n1 609810891 UITSSPPXXSZPPP-UHFFFAOYSA-N 445.838 4.277 5 20 IIBD C[C@H](Cc1cccc(Br)c1)NC(=O)c1ccc([N+](=O)[O-])cc1Br 610042437 YCPUCVMGPIGKIO-SNVBAGLBSA-N 442.107 4.481 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCO[C@H](C(F)(F)F)C1 610067202 CMTSHECHEFVCMC-INIZCTEOSA-N 430.766 4.444 5 20 IIBD C[C@@H](CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(C(F)(F)F)cc1 610118490 NOZHFASDJUINCF-HNNXBMFYSA-N 449.429 4.092 5 20 IIBD O=[N+]([O-])c1ccc2oc(CNC3(c4cccc(Br)c4)CCOCC3)nc2c1 610580968 NNJSNBOJGAZAMN-UHFFFAOYSA-N 432.274 4.294 5 20 IIBD Cc1cc(OCC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])ccc1Cl 610925167 UUAVAIRUOKBULF-GOSISDBHSA-N 434.876 4.135 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC(OCc2ccccc2F)CC1 611261999 HAJZLRIFBPQJFS-UHFFFAOYSA-N 437.265 4.318 5 20 IIBD COc1cccc(Cc2noc(-c3ccc(N[C@@H](C)c4ccccn4)c([N+](=O)[O-])c3)n2)n1 612980148 WSBYSOUAUYIOMR-AWEZNQCLSA-N 432.440 4.207 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 614546809 HOXRHKBHWHKFOM-QFIPXVFZSA-N 425.510 4.223 5 20 IIBD COCCN(Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1cc(Br)cs1 617261652 VBUZOZDDDSOZSH-UHFFFAOYSA-N 426.292 4.209 5 20 IIBD O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 619656226 FBACXYSVMHKMLC-KRWDZBQOSA-N 439.537 4.267 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc(OCc3ccccc3)nc2)cccc1[N+](=O)[O-] 725981992 SHTDZJWLZLIXPW-INIZCTEOSA-N 435.436 4.061 5 20 IIBD O=C(Nc1cccc(CNC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])c1)c1ccc(F)cc1 727708510 UXUINGNKXNNUNH-UHFFFAOYSA-N 429.354 4.194 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N(C(C)C)C2CCCC2)cc1 727744611 UHSCWMQROZJGPF-UHFFFAOYSA-N 446.525 4.464 5 20 IIBD O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1cc2cc([N+](=O)[O-])ccc2o1 728477143 LSNAMNKBYVERMQ-UHFFFAOYSA-N 427.372 4.394 5 20 IIBD Cc1cc(NC(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)ccc1F 728480065 AWEMVQDOGFYEAY-UHFFFAOYSA-N 430.413 4.062 5 20 IIBD CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1F 730452515 MCPJIMHDXXJJNI-LBPRGKRZSA-N 426.491 4.037 5 20 IIBD O=C(OCc1nc(-c2cc(Br)cs2)no1)c1c(Cl)cccc1[N+](=O)[O-] 730646577 IBPJJTGGUGRTOP-UHFFFAOYSA-N 444.650 4.479 5 20 IIBD COc1ccccc1C[C@@H](C)CC(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 730653856 IXZUROQNWXOGDR-ZIAGYGMSSA-N 434.876 4.396 5 20 IIBD O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H]1COC(=O)C1(c2cccc(F)c2)CCC1 730705347 VABOVGZEMXEWQH-SFHVURJKSA-N 426.444 4.004 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 731029747 FYEITPQIRTVIKC-UHFFFAOYSA-N 445.882 4.281 5 20 IIBD C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 731892499 XWVLCEFVBXJLBK-HNNXBMFYSA-N 428.489 4.324 5 20 IIBD COC(=O)[C@H](OC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])c1cccc(Cl)c1 733823484 BBHYQUGHEYPLGH-MRXNPFEDSA-N 425.846 4.050 5 20 IIBD O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(=O)n3c(nc2c1)CCCCC3 734882006 ROFSKSYCBIHGTE-UHFFFAOYSA-N 427.844 4.042 5 20 IIBD CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl 735472520 SJIPMKYSPFQISL-FQEVSTJZSA-N 427.929 4.236 5 20 IIBD CCOc1ccc([C@H]2CCCN2C(=O)COC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1 736866556 NIDIYKZVROMHCF-LJQANCHMSA-N 432.860 4.167 5 20 IIBD COc1cc(N2CCC(OC(=O)c3csc(-c4ccc(C)o4)n3)CC2)ccc1[N+](=O)[O-] 739381982 ULFASTAMISPQRN-UHFFFAOYSA-N 443.481 4.454 5 20 IIBD Cc1ccc(C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)cc1NC(=O)OC(C)(C)C 743336134 CRUJUKWXISCRAE-UHFFFAOYSA-N 438.444 4.288 5 20 IIBD O=C(Nc1sc2c(c1C(=O)NC1CC1)CCC2)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 744359199 CHIJNPCJVARREU-UHFFFAOYSA-N 439.415 4.308 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c(F)c1 744554066 KRELGTFQNNKOER-HNNXBMFYSA-N 429.448 4.217 5 20 IIBD Cc1sc(NC(=O)C(C)C)c(C(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c1C 744938387 YILNLBKTCZLVJO-LBPRGKRZSA-N 433.486 4.052 5 20 IIBD CCN(CC)[C@H](C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 744995229 CQTLXPRSMDFWCR-LIRRHRJNSA-N 433.892 4.202 5 20 IIBD CC(C)N(CC(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)cc1)Cc1ccc([N+](=O)[O-])cc1 747447335 IFNIBCMONXQSOG-KDURUIRLSA-N 440.544 4.058 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](C)[C@@H](O)c1c(F)cccc1Cl 748390978 ILZKKTMXINETIF-GPHJXTMHSA-N 431.247 4.046 5 20 IIBD Cc1c(CC(=O)OCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cccc1[N+](=O)[O-] 748471633 NQDCCMWERUZQID-UHFFFAOYSA-N 440.452 4.059 5 20 IIBD COc1ccc(OC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)c([N+](=O)[O-])c1 748608637 YTMRBGMFJXLXQO-UHFFFAOYSA-N 448.357 4.300 5 20 IIBD O=C(COc1ccc(OCc2ccccc2)cc1)OCc1nc2cc([N+](=O)[O-])ccc2o1 751623668 KCSCSMYFUHJWEW-UHFFFAOYSA-N 434.404 4.437 5 20 IIBD Cc1ccc([C@H](C)NC(=O)Nc2ccc(-n3nccn3)cc2C(F)(F)F)cc1[N+](=O)[O-] 752643916 LXXSMJDUTHECBT-LBPRGKRZSA-N 434.378 4.385 5 20 IIBD Cc1cc(F)cc(C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1[N+](=O)[O-] 753083429 OIHXFEBQGPDZFM-UHFFFAOYSA-N 446.788 4.072 5 20 IIBD Cc1ccc(C)c(NC(=O)[C@H](C)OC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1 753431549 JZFCGXWVIHXRBB-ZDUSSCGKSA-N 435.274 4.467 5 20 IIBD Cc1cc(C(=O)COC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c(C)n1-c1nccs1 755060626 DVSAYXXDHAKCJU-LBPRGKRZSA-N 431.445 4.128 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])N(Cc1ccccc1)C[C@@H](O)c1cccs1 755757211 PCNBLIQEKXTBFJ-LJQANCHMSA-N 426.494 4.188 5 20 IIBD COc1ccc(NC(=O)COC(=O)CCCc2csc3ccccc23)c([N+](=O)[O-])c1 756653952 RNUSVCQZZXHNNW-UHFFFAOYSA-N 428.466 4.323 5 20 IIBD CN(C(=O)c1ccc(C(=O)O[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1)c1ccccc1 757484485 GEGZAWSGAOIJNS-NHCUHLMSSA-N 448.479 4.409 5 20 IIBD C[C@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccc(F)cc1Cl 762999358 MHIVGVPSCUVKDE-JTQLQIEISA-N 426.803 4.374 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC(O)(c2ccccc2Cl)CC1 765048112 XUTFJGGDUUHPEH-UHFFFAOYSA-N 443.912 4.496 5 20 IIBD C[C@H](NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 765596172 RXAJEEICWFJMAC-ZWKOTPCHSA-N 432.565 4.189 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)Cc1cc(Cl)ccc1Br 771392563 OOFBARBVXHNXLD-UHFFFAOYSA-N 441.665 4.044 5 20 IIBD C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)[C@H](c1ccccc1)N(C)C 771510759 SUWKUAMLVGOWER-PIGZYNQJSA-N 440.725 4.432 5 20 IIBD C[C@H](OC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(F)c2)no1 772041166 IFLIUXDFULVOFN-LBPRGKRZSA-N 437.387 4.102 5 20 IIBD COc1cccc(-c2nc(C)c(C(=O)OCc3coc(-c4ccc([N+](=O)[O-])cc4)n3)[nH]2)c1 772093921 GETIIFMJYQDYGC-UHFFFAOYSA-N 434.408 4.314 5 20 IIBD O=C(OCc1noc(C2CCCCC2)n1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 773139494 FPPJQOOIJRFJFM-UHFFFAOYSA-N 429.351 4.324 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCC(c3ccc(N(C)C)cc3)CC2)cc1SC 773418974 PLCTYZFETZTOCM-UHFFFAOYSA-N 429.542 4.411 5 20 IIBD CC(C)N(Cc1ccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1)C[C@H]1CCCCO1 775560223 OYXATZYWOWRDIF-HXUWFJFHSA-N 426.517 4.209 5 20 IIBD O=C(O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1ccn(-c2ccccc2[N+](=O)[O-])n1 776140448 XPRQHMHOAVHISW-OAQYLSRUSA-N 445.391 4.030 5 20 IIBD Cc1oc(-c2ccccc2)nc1CC(=O)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 778798992 IVWUBXMRTNYKAS-QGZVFWFLSA-N 425.416 4.062 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)c1ccc(OC(F)F)cc1 778887642 MJAOJSUAMTXYTP-SECBINFHSA-N 431.294 4.226 5 20 IIBD C[C@H]1CCCCN1Cc1ccccc1CNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781600643 CDMYNOAWHXIEQX-KRWDZBQOSA-N 440.500 4.126 5 20 IIBD O=C(NCc1cccc(COCc2ccccc2)c1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781615424 WEMDFPCVNGCWEY-XMMPIXPASA-N 445.475 4.121 5 20 IIBD COCCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccc(F)cc1Cl 782495564 AUXAANUEBMXPRU-UHFFFAOYSA-N 427.835 4.004 5 20 IIBD O=C(Nc1cccc(C2SCCS2)c1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 783298056 KVBAXBXGMSDYLF-UHFFFAOYSA-N 443.550 4.203 5 20 IIBD Cc1ccc(NC(=O)COC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c(C)c1 783337593 SRNMSESNQDNWTF-UHFFFAOYSA-N 425.485 4.243 5 20 IIBD CC[C@@H](C)n1c(SCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1 783721162 QBWRNHOHLFZPFR-OAHLLOKOSA-N 446.554 4.390 5 20 IIBD O=C(/C=C\c1cc(C(F)(F)F)ccc1Cl)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 785337694 VOPVXBQTOWOQBW-RJRFIUFISA-N 428.798 4.340 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1cc(-c2cccc(F)c2)on1 786771819 KIUCICZAWAPADK-UHFFFAOYSA-N 432.429 4.484 5 20 IIBD C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 787341047 KIYIJUQWFNZPNP-APPDUMDISA-N 429.370 4.064 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])O[C@H]([C@H]1CCCOC1)C(F)(F)F 789651173 QNWOPHKDIRAOQZ-ZUZCIYMTSA-N 444.328 4.316 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)CCN(c1ncnc3cccc([N+](=O)[O-])c13)CC2 790794786 RTNKJDWPFXXFKV-UHFFFAOYSA-N 427.505 4.156 5 20 IIBD CN(C)c1cc(F)c(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)cc1[N+](=O)[O-] 791356760 KSXKXCIKGMMGOR-UHFFFAOYSA-N 448.926 4.095 5 20 IIBD C[C@@H]1C(=O)CC[C@H]1CC(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 792871820 HMNKRUHEWDYDGV-STQMWFEESA-N 430.844 4.411 5 20 IIBD COc1c(C(=O)N(C)c2ccccc2C(=O)N(C)CCc2ccccc2)cccc1[N+](=O)[O-] 793462381 AKTCRQHUIUWWFF-UHFFFAOYSA-N 447.491 4.195 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 796014179 NQGQBLMSXYVAHE-CYBMUJFWSA-N 432.395 4.321 5 20 IIBD CCOc1ccc(NC(=O)CNc2ccc(OCC(F)(F)F)c(F)c2)c([N+](=O)[O-])c1 799968320 FGTRUDKDDSZUIC-UHFFFAOYSA-N 431.342 4.124 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cc(C)cc2c1NCC[C@@H]2C 809554547 OGZQZYPOYTXUHZ-KBPBESRZSA-N 427.457 4.015 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1c1ccccc1Cl 812091664 SZNCPDBVWCZNJC-IBGZPJMESA-N 427.892 4.495 5 20 IIBD O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N(Cc1ccc(-n2cncn2)cc1)C1CC1 813246854 ITNZFIHDSIJNFG-UHFFFAOYSA-N 432.267 4.287 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC12CCC2 816846635 FZDUQODTHHSQIY-HNNXBMFYSA-N 440.500 4.195 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1cccc(NS(=O)(=O)Cc2ccccc2)c1 817029648 KWRNHAYPMDHZAM-KAMYIIQDSA-N 437.477 4.189 5 20 IIBD Cc1c(C(=O)N[C@@H](C)c2ccc(C(F)(F)F)nc2Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] 817856770 JECHXVYDXVACNH-QMMMGPOBSA-N 432.742 4.370 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(CNc3cccc(Br)c3[N+](=O)[O-])cc2)C[C@H](C)O1 820640654 VYTYFSWPNIBNSV-KBPBESRZSA-N 448.317 4.219 5 20 IIBD O=C(COC(=O)c1ccc(CN2CCCCC2)cc1)Nc1ccc([N+](=O)[O-])cc1Cl 913240444 ZWTJPHDYAHYUNO-UHFFFAOYSA-N 431.876 4.030 5 20 IIBD C[C@H](OC(=O)CCOc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1Cl 915450252 DPUKIMKKPJRYGU-NSHDSACASA-N 427.240 4.241 5 20 IIBD CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 915511189 ACNKRIRCTXKVRM-HZPDHXFCSA-N 436.468 4.478 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)nc1 917372029 HDFYPTMFCVOSFR-UHFFFAOYSA-N 446.872 4.005 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1F)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 919251478 UYSWFIUQTONDDU-NXEZZACHSA-N 429.231 4.463 5 20 IIBD CCN(Cc1ccccc1F)C(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] 1318075967 KIJFYJBIHZDNIB-UHFFFAOYSA-N 445.472 4.440 5 20 IIBD CN1CC[C@@H](CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)[C@H]1c1ccc(Cl)c(F)c1 1319584500 UBSVTYDDSBKRBM-VBKZILBWSA-N 432.883 4.106 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC(n2cc(Cl)cn2)CC1 1320055178 ZVWNEJJUVIOOBY-UHFFFAOYSA-N 428.674 4.076 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(-c2nnc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)o2)c1 1322166409 GNSQUNUJAYTKDO-UHFFFAOYSA-N 448.888 4.140 5 20 IIBD COCCN(C(=O)[C@@H](C)OC1CCCCC1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1322850616 RGYJHIJNRDNIFV-OAHLLOKOSA-N 433.530 4.436 5 20 IIBD COC(=O)[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccccc1Cl 1328686018 DUCUQEOLWSSGJT-CQSZACIVSA-N 428.622 4.082 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H](C)N(C)C(=O)OC(C)(C)C 1341762072 IBKSTHBLYTVJMN-CQSZACIVSA-N 425.551 4.471 5 20 IIBD CCC(=O)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3C)CCC2)cc1 1791234173 UDRRVWJZUUERSH-UHFFFAOYSA-N 443.887 4.283 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCC2(CCCN(C(=O)C3(C)CCCC3)C2)CC1 1804989625 KBXPTJJKTDRGKD-UHFFFAOYSA-N 443.544 4.034 5 20 IIBD O=C(COC(=O)CSCc1cccc(Cl)c1)Nc1ccc([N+](=O)[O-])cc1Cl 10147045 VORVHBAUVHDMKN-UHFFFAOYSA-N 429.281 4.317 5 20 IIBD Cc1c(C(=O)OCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)cccc1[N+](=O)[O-] 11397627 LXZVETSRDAGTNP-QGZVFWFLSA-N 439.449 4.092 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccccc1NC(=O)c1ccsc1 12717132 KAIYDJQDEIDPAG-UHFFFAOYSA-N 439.449 4.013 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccccc1NC(=O)c1ccsc1 12717141 GYPWWZVPCDLVKY-UHFFFAOYSA-N 439.449 4.013 5 20 IIBD O=C(c1ccccc1OCCOc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 14667646 WOUGKBIFNQIIHO-UHFFFAOYSA-N 447.491 4.015 5 20 IIBD Cc1c(NC(=O)[C@@H](C)Sc2nnc(C3CC3)n2Cc2ccco2)cccc1[N+](=O)[O-] 23610529 WUDJMRVEPHMUGO-CYBMUJFWSA-N 427.486 4.133 5 20 IIBD C[C@H](OC(=O)CSc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1Br 24124232 QPOWICCRELZRIT-NSHDSACASA-N 439.287 4.020 5 20 IIBD C[C@H](OC(=O)c1ccc(COc2ccc(F)cc2)o1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 24284144 ZRBRZKRIVLPWEN-LBPRGKRZSA-N 446.362 4.229 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCCc2csc(C)n2)cc1[N+](=O)[O-] 26864368 FZHGLLFGHQNAKB-UHFFFAOYSA-N 441.534 4.285 5 20 IIBD CCS(=O)(=O)c1ccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc1 32618707 UKHUPHHTWIXVOT-HOTGVXAUSA-N 445.541 4.123 5 20 IIBD CCOC(=O)c1c(NC(=O)CCn2cc([N+](=O)[O-])nc2C)sc(-c2ccccc2)c1C 61114168 QIWQNZGFIDUQJA-UHFFFAOYSA-N 442.497 4.342 5 20 IIBD COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1cc2ccccc2c2cccnc12 62908684 KHKMUJGBQOBQCB-UHFFFAOYSA-N 441.487 4.121 5 20 IIBD CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 64778497 BPAHRCUSVHPNAE-NRFANRHFSA-N 425.529 4.006 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc(N2CCCC2=O)ccc1Cl 64784947 UPNQTOHRCWTKDK-NSHDSACASA-N 438.267 4.434 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@H]2CCC(C)(C)c3ccccc32)ccc1[N+](=O)[O-] 72080496 WCFRDRAEMKTHSP-UNMCSNQZSA-N 435.524 4.437 5 20 IIBD CSCC[C@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1nnc2ccccn12 96992335 WYDFXHBYKMICHU-INIZCTEOSA-N 427.530 4.159 5 20 IIBD O=[N+]([O-])c1ccc2nc(N3CCN(Cc4ccc(Br)s4)CC3)sc2c1 111106342 WLEDHPBHFRUABL-UHFFFAOYSA-N 439.360 4.351 5 20 IIBD C[C@@H](NC1(CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCCC1)c1ccccc1 217093176 PZULCIFEVGPKEU-GOSISDBHSA-N 447.539 4.389 5 20 IIBD CC[C@H](Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-])c1c(C)noc1C 301842368 ZUHUBSSGDIFVQC-KRWDZBQOSA-N 436.534 4.328 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCSC[C@H]1c1nccs1 426266929 MSLJFIFWZKKQQB-ZDUSSCGKSA-N 432.449 4.070 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cc(C)c(Br)c(C)c2)cc1[N+](=O)[O-] 426288090 HXTFPFXRORFKOB-ZDUSSCGKSA-N 434.290 4.098 5 20 IIBD Cc1cc(C2CCN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)CC2)ccc1Br 426395228 MCDWLAXECLFMHM-UHFFFAOYSA-N 435.322 4.004 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCc2cc(Br)ccc21 429844542 VUAIEFCUPDFOLJ-UHFFFAOYSA-N 426.064 4.323 5 20 IIBD O=C(Nc1nc2ccccc2nc1N1CCCC1)c1ccc(Br)cc1[N+](=O)[O-] 429959724 FXAJUAJSBQJZGI-UHFFFAOYSA-N 442.273 4.153 5 20 IIBD O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 431511106 JUPARCQNEDKOED-UHFFFAOYSA-N 445.431 4.080 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(C(=O)c2cc3ccccc3s2)CC1 432909123 CJIOQLUZPPWYDT-UHFFFAOYSA-N 444.900 4.453 5 20 IIBD CCN(CC)c1ccc(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cn1 436067834 UUHVRMOGXQVWFF-UHFFFAOYSA-N 436.462 4.131 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N(CCc1ccccn1)Cc1ccncc1 438091464 BGRBERLFZBCATN-UHFFFAOYSA-N 434.499 4.356 5 20 IIBD CO[C@@H](C)c1nc(CN2CCCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)cs1 439620093 RLNPJUBAUORLKE-ZDUSSCGKSA-N 442.488 4.072 5 20 IIBD C[C@@H]1CN(Cc2ccccc2NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C)O1 443851021 HLCWKDXGNPRFAN-ZIAGYGMSSA-N 437.418 4.475 5 20 IIBD C[C@H](NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1nc(-c2ccc(Br)cc2)no1 444670315 GQRWPNUASVLFIT-JTQLQIEISA-N 443.261 4.134 5 20 IIBD CC(C)[C@@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)N1CCc2ccccc2C1 444860977 SFBDFYKMCCIRPH-RUZDIDTESA-N 439.559 4.494 5 20 IIBD O=C(Cc1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1)Nc1ccc(Oc2ccccc2)cc1 445375342 ZDKDHCRCODZLCS-UHFFFAOYSA-N 432.392 4.324 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1ccc(OC(F)(F)F)cc1 445747044 CTWZRUVPVYBXSC-UHFFFAOYSA-N 433.180 4.115 5 20 IIBD Cn1cc(C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 446481341 YHGZLQGGZKLMLQ-UHFFFAOYSA-N 430.424 4.175 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N1CCSC[C@@H]1c1ccc(Cl)cc1 446896837 RNZMURIRPLNLFF-QGZVFWFLSA-N 431.905 4.124 5 20 IIBD Cc1ccc(CNC(=O)c2cccc(CN[C@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)c2)cc1 447552034 SHZXNDCKNNQMIW-GOTSBHOMSA-N 447.539 4.303 5 20 IIBD CCc1nc2ccccc2n1Cc1noc(CCOc2ccc(Cl)cc2[N+](=O)[O-])n1 460750749 XNHRYQQINAXYSR-UHFFFAOYSA-N 427.848 4.213 5 20 IIBD COc1ccccc1-c1nnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1C[C@H]1CCOC1 461564540 HHHMLDZLGANVAB-GOSISDBHSA-N 449.511 4.067 5 20 IIBD Cc1c(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cnn1-c1ccc(Cl)cc1 462548506 IJOOJRDMPCUURU-UHFFFAOYSA-N 448.932 4.342 5 20 IIBD O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 462635997 ABPXVWPXNVYLSU-MQMHXKEQSA-N 442.269 4.287 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@H]2CCO[C@H](C3CC3)C2)c([N+](=O)[O-])c1 462695276 GLKRJCCZIVKZLN-JTSKRJEESA-N 445.541 4.180 5 20 IIBD CC[C@H]1c2ccsc2CCN1C(=O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464778926 UBVVBJNPTLDOAC-FQEVSTJZSA-N 429.542 4.036 5 20 IIBD Cc1ccc(NC(=O)N[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1[N+](=O)[O-] 466283249 NWWXPSVRQPHFQM-NRFANRHFSA-N 439.493 4.218 5 20 IIBD C[C@@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(-c2ccncc2)cc1 470004273 QRXHHHBRQXRDRX-MRXNPFEDSA-N 446.463 4.222 5 20 IIBD Cc1c(COc2ccccc2)cccc1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 471465518 AZZYEBYHGCMPPU-UHFFFAOYSA-N 429.436 4.315 5 20 IIBD COc1c(C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cccc1[N+](=O)[O-] 475026974 DELVRLSAFMYOEB-AWEZNQCLSA-N 437.427 4.486 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(N2C(=O)N[C@@H](CC)C2=O)c1 478123406 ZOSJZSBIUIHUAP-KRWDZBQOSA-N 442.497 4.184 5 20 IIBD COc1cc(COc2cc(F)ccc2-c2ccnn2C)c([N+](=O)[O-])cc1OCC(F)F 478885468 NFEOVAQOIQRSFB-UHFFFAOYSA-N 437.374 4.366 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(CN(C)Cc3cscn3)c2)c1C 479281862 PHRQUQFNBDAALV-UHFFFAOYSA-N 446.554 4.101 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N3C[C@H](C4CC4)O[C@H](C)C3)c([N+](=O)[O-])c2)c(C)c1 480395318 QKMOALWCBDPLBE-OPAMFIHVSA-N 445.541 4.016 5 20 IIBD O=[N+]([O-])c1cc2c(c(CN3C[C@H]4CCC[C@@]4(c4nc(-c5ccccc5)no4)C3)c1)OCOC2 486465412 HFBDHSJKIXSPFN-NTKDMRAZSA-N 448.479 4.065 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@H]2CSc3ccc(Br)cc32)s1 486465471 GOZWTUSFPFJZBO-VIFPVBQESA-N 435.346 4.081 5 20 IIBD Cn1c(CCNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)nc2cc(F)ccc21 487180455 UDNUBXQDGAKNAQ-UHFFFAOYSA-N 447.470 4.205 5 20 IIBD O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 488408159 RWKLHEXZOJBAJX-UHFFFAOYSA-N 442.357 4.237 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCc3cc(C)nc(N4CCCC4)n3)c([N+](=O)[O-])c2)cc1 488747856 FWIMMAVFPUDKHG-UHFFFAOYSA-N 446.511 4.466 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN([C@H](C)c2nc(-c3cccs3)no2)CC1 489222788 IERYBCMOAWKIBD-HZPDHXFCSA-N 427.530 4.455 5 20 IIBD O=C(Nc1ccccc1N1CCC(O)CC1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 490632592 XHEJZPUELDTRJH-UHFFFAOYSA-N 446.507 4.420 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CCC[C@@H]1OCc1ccccc1 491033473 IEMSFDYGBZNPGM-MOPGFXCFSA-N 433.302 4.154 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)cc1[N+](=O)[O-] 491583729 MNHJYVVAOZIKQZ-UHFFFAOYSA-N 432.433 4.079 5 20 IIBD CCS(=O)(=O)Nc1ccc([C@@H](C)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 494495247 MTNGGSRDYOACQQ-GFCCVEGCSA-N 431.436 4.226 5 20 IIBD C[C@@H]1C[C@@H](C)CN(CCCCNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 494661425 MRFRPHRBTDIXFB-HUUCEWRRSA-N 430.471 4.171 5 20 IIBD COCCc1ccc(OCCCC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 498140837 SDJWOSKOXHWOGO-QFIPXVFZSA-N 430.526 4.217 5 20 IIBD O=C(NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccc([N+](=O)[O-])c2cccnc12 498168831 NWUMFDHQQVPRTP-UHFFFAOYSA-N 441.369 4.278 5 20 IIBD O=C(Nc1cccc(Cl)c1)N1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 499021107 BQVJXNDPGOYFGJ-UHFFFAOYSA-N 437.283 4.282 5 20 IIBD CN(C)CCOc1cccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 500307112 UNOZGQNYQBZNOX-UHFFFAOYSA-N 443.447 4.285 5 20 IIBD Cn1c(C(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] 502192229 BZAGRMJXZMFNQB-QFIPXVFZSA-N 438.915 4.134 5 20 IIBD CC[C@@H](CSc1ccc(C)c(C)c1)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 504656333 XODISBKEGLRONL-FUHWJXTLSA-N 445.541 4.096 5 20 IIBD O=C(Nc1ccc(Oc2ccccn2)cc1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 505171821 ULURKZMTSSPZCE-MRXNPFEDSA-N 438.465 4.087 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3)cc1[N+](=O)[O-])c1ccccn1 506178758 LQBJFVBDUYQIOR-CQSZACIVSA-N 431.452 4.300 5 20 IIBD COc1ccc(-c2ccc(CN(C)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)o2)c([N+](=O)[O-])c1 506355856 KYKWKBWVWYRMFL-HNNXBMFYSA-N 444.509 4.460 5 20 IIBD COc1cc(CN2CCC(N3CCCC3)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 506432836 NTLJFENLNNZURO-UHFFFAOYSA-N 425.529 4.243 5 20 IIBD CCc1[nH]nc(C(=O)NCC(C)(C)c2ccc(Br)cc2Cl)c1[N+](=O)[O-] 507128750 TZDQKUKFCVAJTC-UHFFFAOYSA-N 429.702 4.004 5 20 IIBD Cc1ccc(-c2ncc(CN3CCN(C(=O)c4ccc([N+](=O)[O-])s4)CC3)s2)cc1 509784264 WOGBXTDQXOVCBA-UHFFFAOYSA-N 428.539 4.046 5 20 IIBD C[C@H]1C[C@@H](CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)CN1Cc1ccccc1 510147779 JHWRIQLOYDBGMM-DOTOQJQBSA-N 446.345 4.388 5 20 IIBD CCN(CC)C(=O)N1CCC(C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)CC1 512298924 KMTOAEPYZINEAQ-UHFFFAOYSA-N 445.545 4.139 5 20 IIBD CNC(=O)c1ccc(N2CCC(F)(c3ccccc3C(F)(F)F)CC2)c([N+](=O)[O-])c1 513070506 RNLJTEUDKRENGJ-UHFFFAOYSA-N 425.382 4.438 5 20 IIBD COc1ccc(Cl)cc1CN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 517806360 MWFLJDICQJYWBP-UHFFFAOYSA-N 439.299 4.260 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 517852320 JKOXNEUEWXGFKW-KRWDZBQOSA-N 427.457 4.430 5 20 IIBD Cc1ccc(C)c(Oc2ccc(CNS(=O)(=O)c3c(F)cccc3[N+](=O)[O-])cn2)c1 519891804 UFNWNXYPJKELHC-UHFFFAOYSA-N 431.445 4.017 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C 520017719 GEQQKIXXMNPAJN-INIZCTEOSA-N 445.541 4.335 5 20 IIBD O=C(NCc1ccncc1)Nc1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1 521500597 OXHFGBFBEQPXDA-UHFFFAOYSA-N 431.408 4.310 5 20 IIBD COc1ccc(C[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)c2ccc(OC)cc2)cc1 522238222 WSKQHIKTTWKBMS-QHCPKHFHSA-N 435.480 4.395 5 20 IIBD CC(C)(C)[C@@H](CC1CCCCC1)NC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 523038815 HYLDDETXSVWXDN-HXUWFJFHSA-N 447.532 4.196 5 20 IIBD CN1CCC(Nc2ccccc2NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 523974756 JDQZERKVLDKGMM-UHFFFAOYSA-N 432.908 4.162 5 20 IIBD O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2cccs2)c1 524704614 LDAHBWIERCBYMS-UHFFFAOYSA-N 433.449 4.347 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1CC[C@H](CN2CCCC2)C1 525273955 PJEAGMRJYIPROG-VGSWGCGISA-N 442.947 4.346 5 20 IIBD Cc1ccccc1[C@@H](CC(C)C)NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 525438417 BDVOKAVNHCJEBP-JOCHJYFZSA-N 438.528 4.158 5 20 IIBD O=C(NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1)c1cc2c(cc1[N+](=O)[O-])OCO2 526062873 YMGXSZYRYTVJJC-UHFFFAOYSA-N 442.777 4.457 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)nc1 527265281 WYCSSZLQSCQBBJ-GASCZTMLSA-N 430.530 4.356 5 20 IIBD CNc1ccc(C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)cc1[N+](=O)[O-] 532751878 ZCJMRDMLUGFXPE-UHFFFAOYSA-N 444.245 4.234 5 20 IIBD COc1ccc(CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@@H](C)C2CC2)cc1 533248184 QHMXEYFTIBJSPM-INIZCTEOSA-N 425.485 4.202 5 20 IIBD CC(C)N(C)CC1CCN([C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 533271767 WGYLWQOPWGZTSN-MRXNPFEDSA-N 445.589 4.098 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@@H](CO)c3ccccc3C)cc2[N+](=O)[O-])n1 537780865 VACCJZMSYZJYBO-INIZCTEOSA-N 429.523 4.283 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 538227904 INQDVIQITJDQDK-MRXNPFEDSA-N 428.558 4.446 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)c1nnc2ccccn12 542511676 VTMPOTNLFZFFRL-CQSZACIVSA-N 425.514 4.411 5 20 IIBD CN(C)CCN(Cc1ccc(Br)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1F 543640374 FNWDZMCKAPKRGF-UHFFFAOYSA-N 439.285 4.092 5 20 IIBD Cc1cc(Br)cn2cc(CCN[C@H](Cc3ccccc3[N+](=O)[O-])C3CC3)nc12 544896805 ILQQSCLEYROBDX-LJQANCHMSA-N 443.345 4.467 5 20 IIBD CNc1ccc(-c2nc(Cc3cc(OC)c(OC)cc3Br)no2)cc1[N+](=O)[O-] 546250547 ZTKWCKPVVFTJNH-UHFFFAOYSA-N 449.261 4.057 5 20 IIBD Cc1noc(CSc2ccc(-c3nc(CCNc4ccccc4[N+](=O)[O-])no3)cc2)n1 546376826 OOYQKDTVGWIKCL-UHFFFAOYSA-N 438.469 4.283 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1scnc1COC 551445299 KBDNYIQVEPASRE-UHFFFAOYSA-N 447.494 4.355 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@H](c3nccn3C)C3CC3)cc2[N+](=O)[O-])n1 553283338 UVIJRQPPVNEHSQ-INIZCTEOSA-N 429.527 4.126 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(N(C)Cc2cn(-c3ccccc3)nc2-c2cccs2)n1 557477029 KCNKVFOQKMZYMY-UHFFFAOYSA-N 449.492 4.327 5 20 IIBD O=[N+]([O-])c1ccc(N[C@H]2c3ccccc3CC23CCOCC3)nc1OCc1ccccc1 558599636 PXYFGHZDWLQXMH-QHCPKHFHSA-N 431.492 5.075 5 20 IIBD COc1cc(OC)c2cc(CCCN[C@@H](c3cccc([N+](=O)[O-])c3)c3nccn3C)[nH]c2c1 560524939 RQZNDMGHLMRVKD-QHCPKHFHSA-N 449.511 4.139 5 20 IIBD CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 560805697 MGZVDNYYGZCDJU-AWRGLXIESA-N 437.540 4.279 5 20 IIBD Cc1cccc2c1OC[C@H](NC(=O)c1ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c1)C2 571966533 SDPHVPFAJFMSDA-QFBILLFUSA-N 432.480 4.205 5 20 IIBD CC[C@@H](CO)NC(=O)c1ccc(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1 578913360 WOHTVLICTRJMHO-INIZCTEOSA-N 425.510 4.436 5 20 IIBD CN(Cc1ccccc1N(C)C)C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 584374256 YGCNCZBYQYPOBH-UHFFFAOYSA-N 427.448 4.430 5 20 IIBD COC1CCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)CC1 585725048 UECGLJYLGCDFGL-LJQANCHMSA-N 448.317 4.148 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1)N(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 590041989 LDYONDFVXYLJFT-QHCPKHFHSA-N 448.498 4.436 5 20 IIBD Cc1sc(NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)nc1-c1cccc(Cl)c1 603468917 NQXRMLZGPBADJQ-NSHDSACASA-N 444.900 4.437 5 20 IIBD COc1ccc(CN(C)C)cc1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 603589967 VZEUVXXCBDUJNR-UHFFFAOYSA-N 440.422 4.125 5 20 IIBD CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1Cl 603982214 ALEDWXVNDSGTJE-UHFFFAOYSA-N 439.921 4.276 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1 603983967 PNPMSIYOCFBSCU-UHFFFAOYSA-N 431.514 4.109 5 20 IIBD Cc1ccccc1OCCCN(C)C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 604009289 LGKMQLVSELSPPJ-UHFFFAOYSA-N 436.512 4.306 5 20 IIBD CC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 604013644 ZMIWPHZXKNXZLQ-UHFFFAOYSA-N 431.754 4.400 5 20 IIBD C[C@@H](NC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl)c1cccc([N+](=O)[O-])c1 604127164 DALPGPSXWIKMKI-SNVBAGLBSA-N 431.802 4.134 5 20 IIBD O=C(Nc1ccccc1)[C@H]1CCc2ccccc2N1C(=O)CCOc1ccccc1[N+](=O)[O-] 608873159 WJOCKXZWGXCTFL-JOCHJYFZSA-N 445.475 4.350 5 20 IIBD CCOc1ccc([C@@H]2CCCN2C(=O)COc2ccc([N+](=O)[O-])cc2Br)cc1 609961794 HSXFESFQIOHICQ-SFHVURJKSA-N 449.301 4.499 5 20 IIBD CC(=O)N[C@@H]1Cc2ccccc2N(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 610985315 KCMWYOCXQVQOFZ-GOSISDBHSA-N 447.516 4.454 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1CCC2(CCOC2)CC1 611178409 WECOUMPALFJWIP-FQEVSTJZSA-N 429.904 4.431 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccc(-c2ccsc2)nc1C 726230541 JGGHQWQAYWOHIM-ZDUSSCGKSA-N 441.465 4.219 5 20 IIBD Cc1ccc(C(=O)N2CCC[C@H](COC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)C2)o1 726359310 SASNZRGAPVMGGG-CVEARBPZSA-N 432.498 4.072 5 20 IIBD C[C@H](OC(=O)CC[C@H](O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 726872943 KZEBLVNAZYCTCQ-YWZLYKJASA-N 428.485 4.276 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc2[nH]c(/C(Cl)=C\c3csc([N+](=O)[O-])c3)nc2c1 728438905 BOXCBXZCGIVLIK-NTUHNPAUSA-N 440.934 4.300 5 20 IIBD CCN1CCCC[C@@H]1C(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 729305617 UBEUJDJXNUIZRI-LJQANCHMSA-N 431.876 4.280 5 20 IIBD COc1ccc(-c2ccc(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3F)c(F)c2)cc1 730350834 NEDRKHILLGCXER-UHFFFAOYSA-N 442.374 4.344 5 20 IIBD C[C@@H](OC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 731103065 LNRUXKQFEZHLTI-SNVBAGLBSA-N 430.766 4.301 5 20 IIBD Cc1ccc(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])cc1OC(F)F 734119700 HKLOVBYIRUTLOJ-UHFFFAOYSA-N 437.218 4.068 5 20 IIBD O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 734892161 XMQUVCNJMFZLQN-UHFFFAOYSA-N 434.710 4.455 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1occc1CN1C(=O)Cc2ccccc21 735791034 IOOVOYMXTOFJGI-UHFFFAOYSA-N 426.812 4.458 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1 735802305 XPNJMBFZJCVLQK-UHFFFAOYSA-N 429.904 4.367 5 20 IIBD CCCc1ncc(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)s1 742050686 KFDBRJLQPWNUSQ-INIZCTEOSA-N 431.514 4.246 5 20 IIBD CC[C@@H](C)[C@](C)(O)CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 742200177 ISWIYBLJLKIFPZ-LRTDBIEQSA-N 433.892 4.027 5 20 IIBD CCOc1cc(N2CCC(OC(=O)COc3c(C)cccc3C)CC2)ccc1[N+](=O)[O-] 744204028 NEKADNRCLRJGFU-UHFFFAOYSA-N 428.485 4.201 5 20 IIBD COC(=O)[C@H](OC(=O)CCOc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl 744818534 WWOVPARZAUGVCQ-QGZVFWFLSA-N 428.224 4.128 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@@H](C)CCOc3ccccc3)CC2)ccc1[N+](=O)[O-] 745950800 HYILLCZYJXFFTO-KRWDZBQOSA-N 428.485 4.221 5 20 IIBD COc1ccc2cc([C@H](C)OC(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)ccc2c1 745955874 RNYGKTLPOKMWJI-ZDUSSCGKSA-N 429.450 4.078 5 20 IIBD C[C@H](OC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 747524087 MBPURBFQDGJOCU-YMRXKLBXSA-N 433.258 4.031 5 20 IIBD COc1ccc(I)c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 747680372 SUFRJKVGLOBKAH-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCc1ccn(-c2cccc(F)c2)n1 748857703 NULVGRBFHOFJGL-UHFFFAOYSA-N 438.337 4.094 5 20 IIBD CCc1ccc([C@H](C)NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1 748952470 VPRBVIBMEIXKQF-GJZGRUSLSA-N 443.456 4.105 5 20 IIBD COc1cc(CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Br)c1OC 749187971 DOLLYVLGROCRHZ-UHFFFAOYSA-N 444.669 4.350 5 20 IIBD O=C(Nc1ccccc1CS(=O)(=O)c1ccccc1)c1cccc(Cl)c1[N+](=O)[O-] 750186746 GJCOIKLJKPZZJP-UHFFFAOYSA-N 430.869 4.474 5 20 IIBD Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1cc([N+](=O)[O-])ccc1Br 751077752 ZIJHQYUIITWCMK-LPHOPBHVSA-N 430.302 4.114 5 20 IIBD CCc1ccc([C@@H](c2cccnc2)N(CC)S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 751124702 AJKZIUWBYLAHJA-NRFANRHFSA-N 443.500 4.492 5 20 IIBD O=C(COc1ccccc1OCc1ccccc1)OCc1nc2cc([N+](=O)[O-])ccc2o1 751661556 AAQUVFMJXPEZIN-UHFFFAOYSA-N 434.404 4.437 5 20 IIBD Cc1cc(N2C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 751947632 RGFUKXMKUVDSKV-HOTGVXAUSA-N 427.505 4.100 5 20 IIBD COc1ccc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC1CCCC1 751976501 QHBXTWDQKHSXGS-UHFFFAOYSA-N 428.441 4.029 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N[C@H](C)c2nc(C3CCCCC3)no2)cc1[N+](=O)[O-] 752255944 ZJYWINARTLXGND-LLVKDONJSA-N 428.898 4.027 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Br)N1CC[C@@H](Oc2ccccc2Cl)C1 752377172 YEOVBHFDCDLNMF-GFCCVEGCSA-N 425.666 4.304 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 755247063 CWLZCHAPKHTZCZ-HXUWFJFHSA-N 431.533 4.166 5 20 IIBD O=C(O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1cccc(NC(=O)c2cccs2)c1 759937963 JFUYJZNSOSKFAP-SJORKVTESA-N 440.481 4.446 5 20 IIBD Cc1cccc(OC(F)F)c1NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 760355860 LOLPGIYNXNIIEC-UHFFFAOYSA-N 437.218 4.068 5 20 IIBD C[C@@H](CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1nc(-c2ccccc2)no1 760780616 BCDXQGQDAUWYFS-NSHDSACASA-N 446.261 4.333 5 20 IIBD C[C@H](C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1c(F)cccc1F 763824099 GSICJLMYHUGDDB-VIFPVBQESA-N 432.301 4.177 5 20 IIBD COC(=O)c1occc1CN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[C@H](C)c1ccccn1 764217855 LVQRAFFMDNIEES-CYBMUJFWSA-N 443.843 4.426 5 20 IIBD COc1ccc(COC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)nc1 767459572 LVKOVWUTBFGNJX-UHFFFAOYSA-N 444.447 4.137 5 20 IIBD O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CCC[C@H](c2nc3c(s2)CCCC3)C1 768529831 GEQVHUNPFSFOQF-AWEZNQCLSA-N 426.542 4.206 5 20 IIBD CCNc1nc(C(=O)O[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)cs1 768666282 SYBBLIBQINMGRU-SFHVURJKSA-N 440.481 4.328 5 20 IIBD O=C(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H](Sc1ccccc1)c1ccccc1 770771194 CPBLSRKDXWHDQI-IBGZPJMESA-N 446.481 4.072 5 20 IIBD CC[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@@H](O)c1c(F)cccc1F 771706437 XIPDLCABNMFLHJ-KBMIEXCESA-N 436.458 4.061 5 20 IIBD CC(C)([C@H](OC(=O)c1ccc2nccnc2c1)c1ccc(Br)cc1)[N+](=O)[O-] 774367257 GGKQVSNSCWCHOO-QGZVFWFLSA-N 430.258 4.346 5 20 IIBD C[C@H](C[C@H]1CCOC1)OC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 774745689 NDXIDAPKNVUVSG-QZTJIDSGSA-N 435.480 4.348 5 20 IIBD COCC[S@](=O)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c1 775486960 CRUCVXMRISUZAZ-LJAQVGFWSA-N 436.555 4.243 5 20 IIBD CSc1cccc(C(=O)OCC(=O)c2cc(C)n(CC(F)(F)F)c2C)c1[N+](=O)[O-] 777074501 MLOSMPCKORGNBI-UHFFFAOYSA-N 430.404 4.337 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCc2ncc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)cc2C1 777237474 SFCLJAXCUCBFBY-AWEZNQCLSA-N 446.891 4.278 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 777349838 KLDSUNZFGLMHST-DYESRHJHSA-N 441.484 4.412 5 20 IIBD CC(C)(C)OC(=O)N1CC=C(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 777929197 YUKGMJUVMGMGKD-UHFFFAOYSA-N 444.513 4.015 5 20 IIBD O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)C(F)(F)c1ccc([N+](=O)[O-])cc1 777943402 RNNCKHXDUGGOGC-UHFFFAOYSA-N 445.344 4.181 5 20 IIBD O=C(Nc1ccccc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)OCc1ccccc1 781688724 HDDRVGYPOOLWSK-UHFFFAOYSA-N 434.404 4.383 5 20 IIBD O=C(Nc1nnc(Cc2cccc(F)c2)s1)c1cccc([N+](=O)[O-])c1Br 782168975 HBPPUYCJOVCTQU-UHFFFAOYSA-N 437.250 4.191 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 782726680 JSXWRJDEUZPWSE-KRWDZBQOSA-N 441.242 4.389 5 20 IIBD CC(C)COc1ncc(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1Cl 783270423 CGVHAYIYIFZRFG-UHFFFAOYSA-N 432.820 4.085 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 784529913 GGMDOZRRMSZWHL-MRXNPFEDSA-N 449.429 4.080 5 20 IIBD C[C@@H](NCc1ccc(I)c(Cl)c1)c1ccc(N)c([N+](=O)[O-])c1 788825789 ZRIQSGLRBBEXPM-SECBINFHSA-N 431.661 4.286 5 20 IIBD O=C(Nc1ccc(-n2cncn2)cn1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 791292488 RMTSNXBVZLELGE-UHFFFAOYSA-N 436.815 4.269 5 20 IIBD CN(C(=O)c1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccccc1 792072750 XWNJJVCHWMQDFG-UHFFFAOYSA-N 435.392 4.137 5 20 IIBD CC(C)(C)OC(=O)N1CC=C(CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 794167729 JBEWVOGSTXBTGX-UHFFFAOYSA-N 435.496 4.085 5 20 IIBD O=C(Cc1ncccc1F)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 795787995 WWRHPESDHAPMPB-FQEVSTJZSA-N 443.818 4.248 5 20 IIBD COC(=O)c1c(C)n(C2CC2)c2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc12 798128153 PQTDXIRIKSOUFM-UHFFFAOYSA-N 439.380 4.107 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 798542807 HZHIAUSLQRHMLK-UHFFFAOYSA-N 427.844 4.109 5 20 IIBD C[C@H](C(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1cccc(Br)c1 813064500 JLXJMRLYSCGBKL-AWEZNQCLSA-N 448.317 4.316 5 20 IIBD CCc1noc(COc2ccc(OCc3ccc(Br)c([N+](=O)[O-])c3)cc2)n1 814264748 GMOMNYSPTHFYRS-UHFFFAOYSA-N 434.246 4.461 5 20 IIBD C[C@@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(=O)Nc1ccc2c(c1)OCCCO2 856695664 OJEMFBLTQJZEJP-GFCCVEGCSA-N 442.449 4.155 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc(-c2noc(-c3cc4c(c([N+](=O)[O-])c3)OCO4)n2)c1 904633236 JVUUSSQGGYFOBM-UHFFFAOYSA-N 426.385 4.388 5 20 IIBD C[C@H](Oc1cccc(Cl)c1Cl)C(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 915498395 INYQSLXKVRDLBS-MNOVXSKESA-N 427.240 4.239 5 20 IIBD O=C(NCc1ccccc1OCC(F)(F)F)c1ccc(Br)c([N+](=O)[O-])c1 917861423 SXQJINTYILBXHO-UHFFFAOYSA-N 433.180 4.228 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1ncc(-c2ccccc2)s1 917882050 TWBNGCGYKDYRNA-UHFFFAOYSA-N 440.300 4.282 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 920806215 QFICKEAXVDDCBF-JTQLQIEISA-N 428.228 4.236 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCCN(c3ncnc4cccc([N+](=O)[O-])c34)C2)CC1 1255360521 OLCNSNXMWHCPAY-UHFFFAOYSA-N 427.505 4.156 5 20 IIBD C[C@H](C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)c1ccc(F)c(F)c1 1261094750 RUCCMKNPGKPUCC-JTQLQIEISA-N 425.229 4.324 5 20 IIBD Cc1cc(C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c(C)n1CC1CC1 1318283028 VVSTZHXEKZZOOF-HXUWFJFHSA-N 427.501 4.236 5 20 IIBD COc1ccccc1-c1nnc(SCc2ccc([N+](=O)[O-])cc2Br)n1C 1320520959 ASXCFHMETPLLPJ-UHFFFAOYSA-N 435.303 4.454 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc(-c3ccc(Cl)cc3)nn2C)cccc1[N+](=O)[O-] 1340584489 XHEAAQWDCMNYQP-CYBMUJFWSA-N 442.859 4.141 5 20 IIBD O=C(Cc1cc([N+](=O)[O-])ccc1F)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/C1CCCCC1 1800120375 MSULDDZHLWBUTN-NWKATUPTSA-N 443.519 4.051 5 20 IIBD Cc1ccc(C)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C3)c1 1803548776 WXCJATLHMOEUMP-SKHSGBRBSA-N 433.508 4.177 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2CCCC2)n[nH]1 1816680677 LLCSONUJUUFZLV-SFHVURJKSA-N 443.479 4.262 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2C2CC2)[nH]n1)c1ccc([N+](=O)[O-])[nH]1 1820368513 PJZBVADLOLNJLL-LJQANCHMSA-N 448.483 4.143 5 20 IIBD Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])n[nH]2)o1 1823501327 QMALHENDEMNKOR-RDELFYGPSA-N 449.467 4.239 5 20 IIBD CCC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccc([N+](=O)[O-])o3)CC2)CCC1 1824277872 YVTUAKKFUHQRCS-JCOOBLOPSA-N 443.544 4.401 5 20 IIBD CC/C=C(\C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cc(F)ccc2[N+](=O)[O-])CC1 1832521604 LQHNRSYLHASFAX-PKWFBFISSA-N 445.535 4.252 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1F)N1CC2(CCCN2C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)C1 1843939204 PXRDZDKBHYEMTQ-NZSAHSFTSA-N 443.519 4.157 5 20 IIBD CCC[C@H]1CC[C@H](C(=O)N2CC3(CCCN3C(=O)Cc3ccc(C)c([N+](=O)[O-])c3)C2)CC1 1845206104 DNKFBCYKMYPOBZ-XUTJKUGGSA-N 441.572 4.256 5 20 IIBD CC1(C)CCC(CC(=O)N2CCCC23CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C3)CC1 1845256894 KKZZIXIEPXAWON-UHFFFAOYSA-N 441.572 4.337 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 10377315 NEBMGRUJEQKMQA-UHFFFAOYSA-N 432.864 4.031 5 20 IIBD Cc1ccc(C(=O)c2ccccc2C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 10863386 FVMIDTUSJLPEFW-MRXNPFEDSA-N 432.432 4.318 5 20 IIBD COc1cc(C(=O)N[C@@H](C)c2ccc(Br)cc2)c([N+](=O)[O-])cc1OC(F)F 10965538 QIHJGBGGOKJBMT-VIFPVBQESA-N 445.216 4.458 5 20 IIBD Cc1nc(Cc2nnc(S[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)o2)cs1 11105059 VXKIUPPJNVJUDK-QMMMGPOBSA-N 439.906 4.106 5 20 IIBD COc1c([N+](=O)[O-])cc(NCc2ccccc2OC(F)F)c([N+](=O)[O-])c1Br 14330808 DHVHWUPWYIQVBY-UHFFFAOYSA-N 448.176 4.488 5 20 IIBD COCCN(C(=O)[C@@H](C)Oc1ccc(C)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 14790469 PYTXSAISTQRJKI-MRXNPFEDSA-N 441.509 4.474 5 20 IIBD COc1ccc(C)cc1CCNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 15176112 PZXOYFJRGBMBKT-UHFFFAOYSA-N 428.432 4.382 5 20 IIBD C[C@@H](Sc1nnc(COc2ccc(Cl)cc2)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 22083611 KKVJEFXRUKEEMY-GFCCVEGCSA-N 447.904 4.075 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N(C)Cc2ccsc2)cc1 22764770 NSRCXRSZEMKBFD-UHFFFAOYSA-N 446.506 4.005 5 20 IIBD COc1ccccc1[C@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)N1CCCC1 27571021 NKLWDFBQQIVASK-JXFKEZNVSA-N 429.542 4.037 5 20 IIBD COc1cc(C(=O)NCCCn2cccn2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 30501817 GIDKDEPMIVGQLO-UHFFFAOYSA-N 430.848 4.066 5 20 IIBD O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cc(Br)cc(C(F)(F)F)c1 35341007 RILBCPNLOQITDX-UHFFFAOYSA-N 425.182 4.177 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 61961111 JEJJOVUUHPZQSQ-KRWDZBQOSA-N 433.848 4.293 5 20 IIBD CC(C)c1ccc(CNCc2ccccc2S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] 236718840 LOHQWFLCSUYDGR-UHFFFAOYSA-N 431.558 4.183 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1CNCCC(=O)Nc1cc(Br)ccc1C 236841334 GYKXANMUXUEALB-UHFFFAOYSA-N 436.306 4.183 5 20 IIBD CNS(=O)(=O)c1ccc([C@H](C)NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1 237391860 PLTLMPUJIJJTQW-AWEZNQCLSA-N 431.539 4.082 5 20 IIBD Cc1cc(CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)ccc1I 410034713 ANKSGDPAPVDDDG-LLVKDONJSA-N 442.228 4.067 5 20 IIBD COc1ccc([C@H](CC(=O)O)NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1OC 426792401 MFDIZWCSTFZPKO-KRWDZBQOSA-N 443.481 4.041 5 20 IIBD COc1cc(OC)c(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1Br 429633872 UVRPYDHBHNNMHX-UHFFFAOYSA-N 444.669 4.350 5 20 IIBD Cc1ccc(NC(=O)c2ccccc2)cc1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 433715044 WUAHMOIWDZQPGG-OAQYLSRUSA-N 430.464 4.373 5 20 IIBD O=C(N[C@@H](CC1CCCC1)c1ccccc1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 435912025 RYTPYZOKHJJTAA-IBGZPJMESA-N 435.480 4.300 5 20 IIBD CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)c1cccc3c(=O)c4cccc(F)c4[nH]c13)C2 436305154 ZKVNZFCMWYZYIC-AWEZNQCLSA-N 432.499 4.059 5 20 IIBD Cn1ccnc1[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(Cl)cc1 437925838 LCHIMTKXRCCIHE-HXUWFJFHSA-N 439.903 4.445 5 20 IIBD CCN(CC)CCNC(=O)c1cccc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c1 439103182 SYKQYDOVSFXLPV-UHFFFAOYSA-N 426.517 4.042 5 20 IIBD COC[C@H]1CN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C[C@H](C)O1 439953170 WETJLHNFJAZEOY-DZGCQCFKSA-N 436.917 4.275 5 20 IIBD COc1ccccc1-c1ccc([C@@H](C)NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 442170996 UBFQWOOUMQCYKI-MRXNPFEDSA-N 433.464 4.395 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)N[C@@H](c2c[nH]c3ccccc23)C(F)(F)F)c1[N+](=O)[O-] 443455588 OBADKVDJENMCHS-KRWDZBQOSA-N 427.404 4.275 5 20 IIBD C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 444107431 VPWWRRSUEYLAAD-FDDCHVKYSA-N 425.532 4.322 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCc2c(ncn2-c2ccc(F)cc2)C1 444300467 HGFPDKMTMWFICN-UHFFFAOYSA-N 438.462 4.205 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCCN(C(=O)C2CC2)CC1 444379975 HDMXQWWYNIFRGQ-UHFFFAOYSA-N 443.887 4.125 5 20 IIBD Cc1nn(CCC(=O)Nc2ccc(Br)cc2C(F)(F)F)c(C)c1[N+](=O)[O-] 444414726 QXDMQJDESHIOOG-UHFFFAOYSA-N 435.200 4.218 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N(CC(F)(F)F)[C@H]3CCCOC3)cc2[N+](=O)[O-])C1 446202830 XYNGVJIDLCDGAL-UXLLHSPISA-N 443.466 4.261 5 20 IIBD CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 446406597 SBJQRVWDJHFZNZ-OAHLLOKOSA-N 439.468 4.127 5 20 IIBD CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 446546600 JQZDMEXDUHWQCY-SOLBZPMBSA-N 440.548 4.057 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1C(F)(F)F 462568920 ZREIAHZCGQGRSH-UHFFFAOYSA-N 444.431 4.154 5 20 IIBD Cc1ccc(Br)cc1NC(=O)CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C 463964049 KYMFLEKSJNUDLY-UHFFFAOYSA-N 435.278 4.043 5 20 IIBD O=C(Nc1cccc(Oc2ccccn2)c1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 464890478 HQYOZFSTOWFQSE-MRXNPFEDSA-N 438.465 4.087 5 20 IIBD C[C@@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 465210577 ZLMVJUSBMPDKLD-CYBMUJFWSA-N 434.374 4.213 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(NCc2cc(F)ccc2SC)c([N+](=O)[O-])c1 467018560 LJQOGLSDFNSPJQ-UHFFFAOYSA-N 427.523 4.098 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NC[C@H](CCO)CC(C)C)c([N+](=O)[O-])c2)c(C)c1 467020963 CTFHRLKUEULAEE-GOSISDBHSA-N 449.573 4.469 5 20 IIBD Cn1cc(NC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)cc1C(N)=O 467635121 XKAUQHAVZMVKSM-UHFFFAOYSA-N 430.873 4.089 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](c1cccc(F)c1)c1cccc(Cl)c1 468640942 JUMKAHBWXNRPIQ-IBGZPJMESA-N 427.819 4.232 5 20 IIBD CC1(C)Cc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3I)ccc2O1 469429768 ICIBYBPZLYFRRD-UHFFFAOYSA-N 438.221 4.165 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(Oc2cccc(C)c2C)nc1 469908575 QTNUFDCICQLMMA-QGZVFWFLSA-N 438.488 4.270 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1ccc(N2CCCCC2)c2ncccc12 471407313 OYYALSRWLZKDEG-UHFFFAOYSA-N 445.483 4.331 5 20 IIBD CC(C)c1ccc(C(=O)N(C)[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1[N+](=O)[O-] 474208316 GYCMUUGDFBCIFI-INIZCTEOSA-N 445.541 4.091 5 20 IIBD COc1ccc(S(=O)(=O)N2CC=C(c3ccccc3C(F)(F)F)CC2)cc1[N+](=O)[O-] 477106230 BSPMTHFZJSVCPE-UHFFFAOYSA-N 442.415 4.100 5 20 IIBD CCc1nc([C@@H](C)NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)n[nH]1 477291151 FTUZVXUFPQQUCZ-LLVKDONJSA-N 445.863 4.221 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCC(c2cccc(Cl)c2)CC1 478263929 CIPPMSKINVPZOO-UHFFFAOYSA-N 443.887 4.343 5 20 IIBD Cc1ccc(-c2nnc([C@@H](C)N3CCCN(c4nc5ccc([N+](=O)[O-])cc5[nH]4)CC3)o2)cc1 481195133 XGQXZOGQPPFTEE-MRXNPFEDSA-N 447.499 4.103 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc(OC(F)F)cc1 481565980 DSNORBUVLRPVRK-GFCCVEGCSA-N 426.441 4.426 5 20 IIBD C[C@@H](NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc[nH]n1 483090818 DFODBYIPZVDZIA-SNVBAGLBSA-N 437.403 4.374 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1coc(-c2ccc(Br)cc2F)n1 483848582 RGXCBUXSHFAFHD-UHFFFAOYSA-N 434.221 4.424 5 20 IIBD Cc1sc(CNC(=O)c2cc(C(=O)O)cc([N+](=O)[O-])c2)nc1-c1ccc(Cl)cc1 485677541 ZLBLMHYNBMTYMZ-UHFFFAOYSA-N 431.857 4.308 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1CCCN(Cc2cccs2)C1 486382474 ZRIJTLOZOQSSRD-HNNXBMFYSA-N 436.965 4.064 5 20 IIBD COC(=O)c1cc(NC(=O)N(C)Cc2ccc(Br)cc2)c(C)c([N+](=O)[O-])c1 486894901 HCWSLQXUTCFRFY-UHFFFAOYSA-N 436.262 4.116 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc(Oc2ccccc2)cn1 487319506 GPPMUJATWRTIIO-UHFFFAOYSA-N 434.408 4.109 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)c([N+](=O)[O-])c1 487412964 NGVPCPLOJDPJRR-KRWDZBQOSA-N 442.541 4.402 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H](OCc3ccccn3)C2)cc1 488127854 QYUFIFLUPIPREY-NRFANRHFSA-N 449.463 4.222 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@@H](c2nc3c(s2)CCCC3)C1 490062019 PUSSBRQDKGYUMB-OAHLLOKOSA-N 442.541 4.108 5 20 IIBD C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CCC(OC2CCCC2)CC1 494816016 NGHWBIWQLTWRMU-OAHLLOKOSA-N 444.557 4.469 5 20 IIBD O=C(NC[C@@H]1CCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1)Nc1cccc(F)c1 497858846 CNERUNNJYXGXLL-ZDUSSCGKSA-N 434.855 4.061 5 20 IIBD CN(C)C(=O)C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)c2ccc(Cl)cc21 498152824 LORAVPGQBXSVHF-ZDUSSCGKSA-N 438.871 4.019 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CN3CCOC[C@H]3c3noc(-c4ccccc4)n3)cs2)c1 501753602 QCPGIERZAJNXED-IBGZPJMESA-N 449.492 4.342 5 20 IIBD COCc1cc(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)ccc1F 502342799 QRWDVLXQJWBPTG-HNNXBMFYSA-N 438.459 4.378 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCCCN2CCCCC2)cc1[N+](=O)[O-] 503071662 AIIPMAHSJPCFRB-UHFFFAOYSA-N 441.553 4.154 5 20 IIBD CCOC(=O)c1cnc(C)c(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 506526033 LEINTGISJQKHJU-UHFFFAOYSA-N 443.403 4.225 5 20 IIBD CCc1cc(N2CCN(C(=O)c3ccc(C)c(F)c3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 506941948 ARRVJBWTFXYJCY-UHFFFAOYSA-N 449.486 4.024 5 20 IIBD COc1cccc([C@H](C)N2CCN([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)c1 507766288 KXVHYGSWXKPVME-IRXDYDNUSA-N 437.500 4.093 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F 508405604 XECKNKLAFJPUEU-PKOBYXMFSA-N 449.429 4.186 5 20 IIBD Cn1ccnc1[C@H](NCCCc1nc(-c2ccncc2)cs1)c1ccc([N+](=O)[O-])cc1 513662670 YOAIRWCYNKDCOL-OAQYLSRUSA-N 434.525 4.159 5 20 IIBD CN1CCN([C@@H](CNC(=O)c2cc3ccccc3c3cccnc23)c2cccs2)CC1 516381166 AGFIMRWMHKVWMS-QFIPXVFZSA-N 430.577 4.168 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)CCc1ccc(OC(C)C)cc1 516820620 OZHJSXBTNOHVRD-INIZCTEOSA-N 427.501 4.020 5 20 IIBD O=[N+]([O-])c1cc(CNC[C@@H](O)COc2ccc(F)c(F)c2)ccc1Oc1ccc(F)cc1 518275462 HMGVYFOPBSDCRN-MRXNPFEDSA-N 448.397 4.334 5 20 IIBD COc1cccc(C[C@@H]2CCCN2C(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)c1 518324567 HUJGTTUYLNBJMO-SFHVURJKSA-N 430.526 4.079 5 20 IIBD Cc1c(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)nnn1-c1cccc([N+](=O)[O-])c1 519139816 BWOWQHOUWLTVIX-HXUWFJFHSA-N 425.876 4.409 5 20 IIBD CC1CCN(c2ccc(C(=O)N(Cc3ccncc3)C[C@@H]3CCCO3)cc2[N+](=O)[O-])CC1 520868123 MOQRORUWAJFFNI-NRFANRHFSA-N 438.528 4.048 5 20 IIBD Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 521862526 FSSWAIPGZKADQH-LJQANCHMSA-N 427.526 4.355 5 20 IIBD CN(CCc1ccc([N+](=O)[O-])cc1)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 522268804 HTZNJXDGBIGWEB-UHFFFAOYSA-N 425.510 4.070 5 20 IIBD CC(=O)N(c1ccc(C)c(C)c1)c1nc(Cn2cc([N+](=O)[O-])cc(Cl)c2=O)cs1 522957753 UOUWCKLUORCKJJ-UHFFFAOYSA-N 432.889 4.216 5 20 IIBD CC[C@H](C)[C@@H](O)CNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 524557821 ZBWWVGHFRZRJJV-SJCJKPOMSA-N 439.871 4.386 5 20 IIBD COc1cc(C(=O)Nc2ccc(C(C)=O)c(C)c2)c([N+](=O)[O-])cc1OCc1cscn1 534042807 OADNCWUHOHGABT-UHFFFAOYSA-N 441.465 4.402 5 20 IIBD CCO[C@@H](C)c1nc(CN2CCN(c3cc(C)nc4c([N+](=O)[O-])cccc34)CC2)cs1 537348569 XUQQDIHRKITUDS-INIZCTEOSA-N 441.557 4.328 5 20 IIBD O=C(NCCCNc1ncnc2ccc([N+](=O)[O-])cc12)c1cc(F)c(Cl)cc1Cl 537721437 DNPQIDBARKPHHR-UHFFFAOYSA-N 438.246 4.216 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCC(C)(COC)CC2)c([N+](=O)[O-])c1 539107547 RHIPWPALWKHGLH-UHFFFAOYSA-N 447.557 4.063 5 20 IIBD COc1ccc(CN2CC[C@@H](CN3CCCC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 539818537 VMJIUGVTYFVQJC-NRFANRHFSA-N 425.529 4.100 5 20 IIBD COc1ccc(-c2csc(NC(=O)[C@H](C)N[C@H](C)c3cccc([N+](=O)[O-])c3)n2)cc1 540379916 KJNKEFDCIRCACE-KGLIPLIRSA-N 426.498 4.405 5 20 IIBD Cc1ccc(CN(CCO)C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 542181927 AWCRHAJLLJMOKO-SFHVURJKSA-N 434.496 4.106 5 20 IIBD CCc1ccc([C@H](NCCCS(=O)(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)o1 542478500 IRTLLBSTOOUOTB-JOCHJYFZSA-N 428.510 4.293 5 20 IIBD CN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 544484119 ZJYXZXZUGDSUAE-NFBKMPQASA-N 441.503 4.329 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1noc(-c2csc(-c3ccc4c(c3)OCO4)n2)n1 546383761 QVFWESLZEFLQCX-UHFFFAOYSA-N 437.437 4.152 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 546778254 WUVBKWRVAMQKHI-QGZVFWFLSA-N 447.513 4.354 5 20 IIBD Cc1cc(NC2CCC(C(=O)N3CCSCC3)CC2)c([N+](=O)[O-])cc1C(F)(F)F 549121506 HZPYWLJQILVQKI-UHFFFAOYSA-N 431.480 4.468 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 550398133 HZPRLYIALGFWOL-DOTOQJQBSA-N 446.345 4.306 5 20 IIBD CCOC(=O)C(C)(C)C1CCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC1 557457424 KOXLKCGBRUCENX-UHFFFAOYSA-N 425.485 4.098 5 20 IIBD Cc1ccc(OCc2ccccc2)c(NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 562521934 BVJPXXRTQYKMGN-UHFFFAOYSA-N 447.495 4.231 5 20 IIBD O=C(NC[C@@H](CO)Cc1cccnc1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 565885783 BAZHUMTXSIMZDQ-INIZCTEOSA-N 441.871 4.017 5 20 IIBD Cn1ccnc1[C@H](NCCc1cnc(SC2CCCC2)nc1)c1ccc([N+](=O)[O-])cc1 573151833 WSLIFRLUWWJDKO-HXUWFJFHSA-N 438.557 4.075 5 20 IIBD C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 573996622 AVEFPKQIQDZQBU-RNODOKPDSA-N 449.429 4.468 5 20 IIBD Cc1nn(C)c2nc(-c3cccs3)cc(-c3nc(-c4ccc(N)c([N+](=O)[O-])c4)no3)c12 574125303 KBUJYULUBALACT-UHFFFAOYSA-N 433.453 4.213 5 20 IIBD COc1cc(OC)cc(C2(F)CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)CC2)c1 579027863 ZPQSWLXUGAJKGR-UHFFFAOYSA-N 427.432 4.194 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)c([N+](=O)[O-])c1 588216025 LSDNCQQQPPZPCN-CQSZACIVSA-N 440.475 4.430 5 20 IIBD CCc1cc(N2CC[C@](CO)(Cc3ccc(F)cc3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 588862907 KAHVDQDGVMTMOQ-DEOSSOPVSA-N 436.487 4.185 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@@H]3c3ccc(O)cc3)n2C[C@@H]2CCCCO2)c1 589678423 UUGJMOOUBMWGHZ-FCHUYYIVSA-N 449.511 4.470 5 20 IIBD CCC(=O)Nc1cccc(CNC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1 603920135 BHEQLQRJDPFISJ-IAGOWNOFSA-N 438.528 4.356 5 20 IIBD COc1cc(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)c([N+](=O)[O-])cc1OC(F)F 603976688 OXGKEEARMKSJIT-UHFFFAOYSA-N 449.410 4.130 5 20 IIBD O=C(NCc1ccccc1OCC(F)(F)F)Nc1cc([N+](=O)[O-])ccc1OC(F)F 604084782 JYPMYDBBERCJNF-UHFFFAOYSA-N 435.305 4.459 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N(Cc1ccc(Br)cc1)C(C)C 608785853 WTCLNQLDFCOMLW-UHFFFAOYSA-N 436.306 4.486 5 20 IIBD COc1ccc([C@H]2CCCCCN2C(=O)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 608869841 RYRTXSYUTILUHQ-OAQYLSRUSA-N 435.484 4.006 5 20 IIBD COc1ccc(CC(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)cc1[N+](=O)[O-] 609010868 IBIQOAXEUQYJLL-UHFFFAOYSA-N 429.816 4.283 5 20 IIBD CCc1noc(-c2ccc(CCNC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)cc2)n1 609023632 ODYZKTBRYLJZFJ-CQSZACIVSA-N 426.498 4.047 5 20 IIBD CC[C@@H](C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)C(=O)Nc1cccc(N2CCCC2)c1 609174693 UQWNLSCZHGJZOT-AUUYWEPGSA-N 430.530 4.040 5 20 IIBD O=C(N[C@H]1CCN(c2ccc(F)cc2F)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 609304192 GLYOMUCWVZSWTG-AWEZNQCLSA-N 430.436 4.005 5 20 IIBD C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccc([N+](=O)[O-])cc1I 609647435 OPTVWBGRWIZPGU-TZMCWYRMSA-N 436.249 4.218 5 20 IIBD CCNC(=O)c1cccc(NC(=O)CNc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1 609764984 FPZWUPYNDLQXLO-UHFFFAOYSA-N 434.452 4.187 5 20 IIBD CCC[C@@H]1SCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 609833118 UQSLMTLEXRTKHX-IBGZPJMESA-N 449.554 4.019 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cc(C)ccc2SCC(F)(F)F)cc1[N+](=O)[O-] 609911108 HIYXKDRWBLLOCB-UHFFFAOYSA-N 436.433 4.367 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(OC(C)(C)C)cc2)ccc1[N+](=O)[O-] 610184156 VRVXGGGNDNEHRA-HXUWFJFHSA-N 425.485 4.324 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1 610192424 AGOOVVRPROMZAP-IOMROCGXSA-N 426.469 4.329 5 20 IIBD COC[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 611396962 SZHOMXUVCZRKSH-OAHLLOKOSA-N 431.798 4.183 5 20 IIBD CCn1c(SCC(=O)NCc2cc(F)cc(F)c2)nc2cc3ccccc3cc2c1=O 613973445 XUTQCWBGDRIBOG-UHFFFAOYSA-N 439.487 4.256 5 20 IIBD CCCOc1cc(NC(=O)c2ccc3c(c2)CCN3C(C)=O)c([N+](=O)[O-])cc1OCCC 619206654 WLYZYDMGXGLCFW-UHFFFAOYSA-N 441.484 4.334 5 20 IIBD COc1ccc(OC)c(NC(=S)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 726447658 FNPPDBRYVHPWAP-UHFFFAOYSA-N 444.435 4.029 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2csc(Cc3ccc(F)cc3)n2)cccc1[N+](=O)[O-] 727019454 JEVVUOKASVYDMK-CYBMUJFWSA-N 443.456 4.274 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCc2nc(-c3cccc(Cl)c3)no2)cc1SC 728475311 LTZRYRAQGAQSHB-UHFFFAOYSA-N 435.845 4.386 5 20 IIBD Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 731707262 VQLFXZHLTFSALQ-UHFFFAOYSA-N 442.811 4.442 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Oc3cccc(NC(=O)C(C)C)c3)cc2)c(C)c1[N+](=O)[O-] 733173930 FCHXFEXTYURAJY-UHFFFAOYSA-N 436.468 4.270 5 20 IIBD Cc1ccc(NC(=O)c2ccc(I)c([N+](=O)[O-])c2)cc1OC(F)F 734116783 LYGMICWUXSFULJ-UHFFFAOYSA-N 448.163 4.362 5 20 IIBD O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 734485329 VQKFKRHTNYORHQ-OAHLLOKOSA-N 434.418 4.197 5 20 IIBD CCOC(=O)N(C)C1CCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 735368286 MVGYDVASTMSBTN-UHFFFAOYSA-N 442.472 4.472 5 20 IIBD CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H](C)c1ccccc1 737300711 LWZJCNRLGYSNCV-MAUKXSAKSA-N 446.935 4.068 5 20 IIBD CC(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)OCc1ccccc1 737566164 NOQRDKDXAJOYGD-SFHVURJKSA-N 449.301 4.245 5 20 IIBD CCc1cc(N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 740869200 IDBQONAXHBVFTI-DNVCBOLYSA-N 441.532 4.354 5 20 IIBD Cc1sc(=O)n(CC(=O)OCc2ccc(Cl)c([N+](=O)[O-])c2)c1-c1ccc(F)cc1 741440651 QIXVAGNIZOZIFA-UHFFFAOYSA-N 436.848 4.329 5 20 IIBD COC(=O)C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c2ccccc21 741583735 LFVXMDXSPKVKCR-KRWDZBQOSA-N 437.496 4.138 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)cc1[N+](=O)[O-] 742030221 UDFNWBKGZJUXNB-GDLZYMKVSA-N 448.497 4.151 5 20 IIBD CC(=O)Nc1ccc(OC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c(F)c1 742836423 WUYZSTSQUAJPFB-KBPBESRZSA-N 429.448 4.394 5 20 IIBD CCN(C)C[C@H]1CCN([C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C1 744423294 CMKHAXOESIMLPS-IIBYNOLFSA-N 430.936 4.202 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)C2(c3ccc(Br)cc3)CC2)cccc1[N+](=O)[O-] 744508197 SFRBEAFQLCDOHN-ZDUSSCGKSA-N 447.285 4.268 5 20 IIBD COc1ccc(Br)cc1C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 745116513 CDRUKLNHNDGGJX-JTQLQIEISA-N 448.229 4.334 5 20 IIBD Cc1ccc(Br)cc1C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 745252726 FIWBZJAAMIPFCR-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1 748622808 HQOZBNWAQQLBCT-UHFFFAOYSA-N 428.445 4.291 5 20 IIBD CNC(=O)c1cc(Oc2cc(C)ccc2NC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccn1 748808981 XBAKSJYZHHWIPB-UHFFFAOYSA-N 440.843 4.356 5 20 IIBD CC(C)(C)C[C@H](CO)NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 749379201 JDNRNPSKVCWQAQ-CYBMUJFWSA-N 433.892 4.027 5 20 IIBD Cc1c(C(=O)Oc2ccc(Sc3ccncc3)cc2)nnn1-c1cccc([N+](=O)[O-])c1 749528043 XFHMAJHKHODTOD-UHFFFAOYSA-N 433.449 4.249 5 20 IIBD COc1ccc(-c2nnc(SC[C@H](O)c3cccc([N+](=O)[O-])c3)n2CC(C)C)cc1 749638689 FRCKLJDMIBAQTP-IBGZPJMESA-N 428.514 4.344 5 20 IIBD O=C(OCc1coc(-c2c(F)cccc2F)n1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 751722858 WWWGKYOLRPZXEA-UHFFFAOYSA-N 427.319 4.139 5 20 IIBD Cc1c(Br)cc(C(=O)OCC(=O)N(C)[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] 753427685 BQYCTDVSQSLEGE-ZDUSSCGKSA-N 435.274 4.042 5 20 IIBD Cn1c(COc2ccc(Cl)cc2)nn(CN2CCc3c2cccc3[N+](=O)[O-])c1=S 754776960 VNKRNHZUWVAPJS-UHFFFAOYSA-N 431.905 4.112 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Oc2ccc(N(C)C(=O)OC(C)(C)C)cc2)cc1[N+](=O)[O-] 755116292 WLWYCEUCKAKITB-UHFFFAOYSA-N 436.486 4.351 5 20 IIBD O=C(NCc1ccc(NC(=O)c2ccco2)cc1)NCc1cc([N+](=O)[O-])ccc1Cl 756815146 GXUKYWXESNVEBA-UHFFFAOYSA-N 428.832 4.093 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)c1F 760355239 JSZXAGNWGMXOAJ-UHFFFAOYSA-N 438.824 4.079 5 20 IIBD CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2csc(Cl)c2Cl)NC(=S)N1 761930208 VSZSSRDKGOPRIH-CYBMUJFWSA-N 443.337 4.395 5 20 IIBD O=C(N[C@@H]1CC[C@H]2SCCS[C@@H]12)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 763178668 BEIJLIJESNYYQK-RLLQIKCJSA-N 429.567 4.316 5 20 IIBD O=C(Nc1ccnn1Cc1ccc(C(F)(F)F)cc1)c1cc(F)c([N+](=O)[O-])cc1F 763381675 BEHLWSBAIFXSDO-UHFFFAOYSA-N 426.301 4.389 5 20 IIBD C[C@@H](OC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCCCC2)cc1 763403596 NARBQDFYXRXABQ-IAGOWNOFSA-N 425.485 4.259 5 20 IIBD CCN(CC(=O)Nc1c(C)cccc1C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 764330494 CXGVMYTZZASVDJ-HNNXBMFYSA-N 432.908 4.153 5 20 IIBD Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 765317605 QMUXBKJTVSFTNM-GFCCVEGCSA-N 427.686 4.328 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 765525420 DUVNMJJGUGFPAQ-TZMCWYRMSA-N 449.847 4.296 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)c1ccc(OC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1 767080381 QSPIPCAQJCCMTA-AWEZNQCLSA-N 440.456 4.136 5 20 IIBD C[C@H](OC(=O)c1ccc(Br)c(Cl)c1F)C(=O)Nc1cccc([N+](=O)[O-])c1 769517888 WZIHPAXIKAEFCW-QMMMGPOBSA-N 445.628 4.334 5 20 IIBD O=C(OCc1nc2ccccc2n1C(F)F)c1cc(Br)cc([N+](=O)[O-])c1 770156102 ASNKHMHZNJAHQS-UHFFFAOYSA-N 426.173 4.459 5 20 IIBD CCOC(=O)[C@]1(C(C)C)CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 772920251 WLLKQNJCQXIQMW-QGZVFWFLSA-N 447.713 4.062 5 20 IIBD Cc1ccccc1[C@H](C)NC(=O)[C@H](C)OC(=O)c1sc(Br)cc1[N+](=O)[O-] 773600485 VASFHYWDSXWFPR-QWRGUYRKSA-N 441.303 4.150 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1 773772894 LULHWJICHVSUNK-UHFFFAOYSA-N 441.793 4.401 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2nnc(C[C@@H](C)CC(C)(C)C)o2)cc1[N+](=O)[O-] 775114176 AUVNBMBSMQJRPF-SNVBAGLBSA-N 430.914 4.355 5 20 IIBD COc1cccc([C@H]2[C@@H](C(=O)Nc3cc([N+](=O)[O-])c(Cl)cc3C)CC(=O)N2C2CC2)c1 776325860 OPDFCQRWTYPHLY-KKSFZXQISA-N 443.887 4.256 5 20 IIBD CCc1ccc([C@H](C)NC(=O)COC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 781259488 FEVGAFPABIYWKS-INIZCTEOSA-N 428.488 4.278 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(COC(=O)c2cnc3onc(C)c3c2)cc1OC 781658076 HVMKWKBKKQEUGH-LBPRGKRZSA-N 429.429 4.230 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1 782073022 COFLKBOQLXUWML-GOSISDBHSA-N 448.520 4.247 5 20 IIBD Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 782432524 DGGFMQNMDNWFIH-UHFFFAOYSA-N 440.909 4.333 5 20 IIBD CC(C)c1cnc(COC(=O)c2cc([N+](=O)[O-])ccc2I)s1 783490639 TYLWCEIOPFZHDK-UHFFFAOYSA-N 432.239 4.136 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 784566872 WINCAYXLNAWDKN-LNMJFAINSA-N 449.573 4.227 5 20 IIBD O=C(CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)OCCCN1C(=O)CNC1=O 785643332 SJSLABIOEVRTIL-UHFFFAOYSA-N 442.471 4.032 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[C@H](O)c1ccc(F)cc1 786389480 CSGQLUUHNNCXQV-BTDLBPIBSA-N 425.254 4.047 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Oc1ccc(C(=O)N2CCCC2)cc1 790442269 FQFWZFPCGOHTCO-UHFFFAOYSA-N 433.258 4.121 5 20 IIBD C[C@@H](OC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(N2CCCC2)cc1 790740975 MLCOXOGECHAOMX-CYBMUJFWSA-N 449.866 4.100 5 20 IIBD Cc1csc(Sc2ccc(C(=O)OC[C@@H]3CC4(CCC4)C(=O)O3)cc2[N+](=O)[O-])n1 791275099 MQUYGCAEZIXYHS-ZDUSSCGKSA-N 434.495 4.154 5 20 IIBD COc1cc([C@H](C)NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1OCc1ccncc1 792876026 KFMLNCUSJKYAQF-HNNXBMFYSA-N 438.440 4.336 5 20 IIBD CCO[C@@H](C)c1nc(CN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cs1 792896971 JHODQLOJWKYPNG-NSHDSACASA-N 426.336 4.470 5 20 IIBD C[C@@H](OC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 796391351 VVBYENYOUFTSQH-BYCMXARLSA-N 438.358 4.167 5 20 IIBD C[C@@]1(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCN(Cc2ccccc2)C1 798529834 XQJDCJCLBKBOCV-NDEPHWFRSA-N 439.559 4.183 5 20 IIBD O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)Nc1ccc(Br)c([N+](=O)[O-])c1 806367159 JTCBBNAGVRVYNX-AWEZNQCLSA-N 448.195 4.231 5 20 IIBD O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)cc1Cl 809811896 UUCCVEKTSWECKX-UHFFFAOYSA-N 437.880 4.437 5 20 IIBD CC(=O)N[C@H](CC(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccs1 811219425 QCMWAFKACDRYLH-MRXNPFEDSA-N 431.495 4.091 5 20 IIBD CC(C)(C)OC(=O)N1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 812960528 ORSOTUYKEYJLDJ-UHFFFAOYSA-N 432.304 4.279 5 20 IIBD CCOC(=O)[C@](C)(CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccccc1 813214970 SFGMHFWNZQZYAT-LJQANCHMSA-N 425.268 4.152 5 20 IIBD O=C(Nc1cccc(CN2CCC(CO)CC2)c1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813475989 ABQPENPFDYECKB-UHFFFAOYSA-N 438.311 4.358 5 20 IIBD CCC(CC)(CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)OC 817056772 UQQGHXXSTGIOCM-UHFFFAOYSA-N 433.892 4.436 5 20 IIBD C[C@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 819468670 MDGIKMYTBYFEHK-KRWDZBQOSA-N 446.511 4.147 5 20 IIBD C[C@H](OC(=O)C1(c2ccccc2)CC1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 844993068 HHHHSEGIVRYSBQ-AWEZNQCLSA-N 437.477 4.320 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C(=O)N[C@H](C)c1cccc2ccccc12 854158472 XFNKKQYRRIFRFN-HZPDHXFCSA-N 435.480 4.237 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2ccccc2OCc2cscn2)cccc1[N+](=O)[O-] 858005110 AFFDQIWSZQEDNW-AWEZNQCLSA-N 441.465 4.123 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)cc1[N+](=O)[O-] 917342282 PPXBGWDADSLIDM-UHFFFAOYSA-N 441.419 4.045 5 20 IIBD COc1cccc(OC)c1Oc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cn1 917722912 PYWYDKLFIVTPEO-UHFFFAOYSA-N 443.843 4.383 5 20 IIBD O=C(COC(=O)c1ccc(-c2cnco2)cc1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 919498862 JLLFQQJXEPCSPU-UHFFFAOYSA-N 435.314 4.064 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cccc(-n4ccnc4O)c3)cc2[N+](=O)[O-])C1 919755095 XPAGWFHHOKCSFA-HOTGVXAUSA-N 435.484 4.221 5 20 IIBD CC(C)c1nn(C)cc1C(=O)Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1 919978798 IGQHBNPGBJCROC-UHFFFAOYSA-N 433.420 4.444 5 20 IIBD COc1ccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1OC1CCCC1 920311579 GOXNKNLRZVBBGO-UHFFFAOYSA-N 426.878 4.379 5 20 IIBD Cc1cccc(-c2nnc([C@@H](C)OC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)o2)c1 920554932 WERLPBNEGHNOSU-CQSZACIVSA-N 433.424 4.272 5 20 IIBD CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2-c2cccs2)cc1F 1116859965 DTIQLWMHYYCHAF-UHFFFAOYSA-N 436.442 4.189 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CCCc2c1cnn2Cc1ccccc1 1320229530 GYBYRSJHXHPFJC-QFIPXVFZSA-N 429.480 4.057 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@@H]1CCSc2ccccc21 1357609131 JVHCMBBNUFHRIL-QZTJIDSGSA-N 446.550 4.227 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccc(C2(NC(=O)[C@@H]3CCC=CO3)CCC2)cc1 1786207472 QANGQCAPWDVTFI-JARZOMNASA-N 437.452 4.028 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(O)cc4)CCC3)cc2)ncc1[N+](=O)[O-] 1788766611 JPSLQVMKQFDDLC-UHFFFAOYSA-N 446.463 4.065 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccc([N+](=O)[O-])o4)CCC3)cc2)cn1C 1788794317 WVBQMDAHVQSMSH-CSKARUKUSA-N 448.479 4.296 5 20 IIBD Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])[nH]4)cc3)CCC2)c(F)c1 1790187174 BRJIHYRYWFYESO-UHFFFAOYSA-N 436.443 4.432 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@H]3F)cc2)CCC1 1790433285 CGAHJMYJDAIQSZ-DOTOQJQBSA-N 429.423 4.148 5 20 IIBD CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3F)n[nH]2)CCCC1 1821049044 DQIGFMLGOPEJNY-SFHVURJKSA-N 443.479 4.343 5 20 IIBD CC/C=C(\C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2cc(F)ccc2[N+](=O)[O-])n[nH]1 1823487524 FBYDSTXZKSVPNE-CXPVQLEGSA-N 443.479 4.048 5 20 IIBD Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)cc1 1823679332 BFWWRJXQOBHYJV-XMMPIXPASA-N 449.551 4.379 5 20 IIBD CC[C@H](C)CC(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])sc2C1 1828248686 KRGYRCPVVRDUHD-MOWVAICQSA-N 442.541 4.113 5 20 IIBD CC[C@H](C(=O)N1CCCC12CN(C(=O)c1c(F)ccc([N+](=O)[O-])c1C)C2)c1ccccc1 1842619927 XADPSRFVLBZBFR-SFHVURJKSA-N 439.487 4.053 5 20 IIBD CC(C)(C)CCCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1cccc([N+](=O)[O-])c1 1847208879 UFHLRYGVBAURGJ-SFTDATJTSA-N 429.561 4.336 5 20 IIBD CCOc1cc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)cc(OCC)c1OCC 10963293 OJUCOCSIAXOCGO-UHFFFAOYSA-N 446.456 4.205 5 20 IIBD CCOC(=O)[C@H]1CCCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 16483010 FNGMWVYMWCVTDX-OXJNMPFZSA-N 445.903 4.203 5 20 IIBD Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1F 18611091 UNNSLFPSNUHIAJ-GFCCVEGCSA-N 429.429 4.350 5 20 IIBD Cn1c(SCC(=O)Nc2ccnn2C2CCCC2)nc2cc3ccccc3cc2c1=O 24970221 QTRMQOGHNJTXEZ-UHFFFAOYSA-N 433.537 4.129 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccccc2-n2nc(C)cc2C)cc1[N+](=O)[O-] 25014686 JEYKFSZSGYHWCZ-UHFFFAOYSA-N 426.498 4.278 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1 32595276 BNGYIPHTSYHXPR-UHFFFAOYSA-N 435.845 4.203 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)N(CCc2ccccc2)Cc2cccnc2)cc1[N+](=O)[O-] 60510666 JIGZUKWWNJSVIE-UHFFFAOYSA-N 445.928 4.385 5 20 IIBD C[C@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 64726498 BUVBAAOWLWNDMY-HLLBOEOZSA-N 442.482 4.279 5 20 IIBD COc1cc(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)ccc1OC(F)F 64897557 NWGLDLCZRSLOBB-UHFFFAOYSA-N 435.408 4.258 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC(c3nc(C)no3)CC2)c([N+](=O)[O-])c1 64940330 BMMYIVKISADCPD-OAQYLSRUSA-N 435.484 4.154 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 108310462 NDPUZOVRVBNCIA-UHFFFAOYSA-N 433.512 4.305 5 20 IIBD Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 108753553 OYWSZRALWJFSQK-QGZVFWFLSA-N 447.495 4.148 5 20 IIBD O=[N+]([O-])c1cncc(Br)c1N[C@@H]1CCN(c2ccccc2OC(F)F)C1 301861753 DXGHVJABYUHLOK-SNVBAGLBSA-N 429.221 4.045 5 20 IIBD CSc1nnc(CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1C1CCCC1 303052365 VKVUDRQIXLNGLD-UHFFFAOYSA-N 438.941 4.431 5 20 IIBD CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)c1cc3ccccc3c3cccnc13)CCC2 303760472 OHAWFHBSTYMZNQ-UHFFFAOYSA-N 445.544 4.231 5 20 IIBD CCCCc1nc2ccc(NC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)cc2[nH]1 409723025 VRSYJLAOJQHTMK-UHFFFAOYSA-N 437.456 4.141 5 20 IIBD COc1cc(C(=O)N2CC[C@@](O)(C3CC3)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 428177420 ABALMJJGFDPBLE-NRFANRHFSA-N 432.860 4.036 5 20 IIBD Cc1c(NC(=O)C(=O)N(C)CCC2CCCCC2)cc(Br)cc1[N+](=O)[O-] 430313632 VCUMFBFILBHFKK-UHFFFAOYSA-N 426.311 4.033 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@@H]2C[C@H]2c2cccc3ccccc23)ccc1[N+](=O)[O-] 431151985 PEBHYQLWRVQBIY-ZDXQCDESSA-N 443.503 4.333 5 20 IIBD CC1(C)C[C@@H](NCc2ccccc2S(=O)(=O)N2CCCCC2)c2cc([N+](=O)[O-])ccc21 433141501 ADJUCFRGYUXVMC-OAQYLSRUSA-N 443.569 4.282 5 20 IIBD CC(=O)Nc1ccc(C)c2c1CCCN2C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 438946218 HFDPQLQYJAUVTR-CYBMUJFWSA-N 431.876 4.262 5 20 IIBD COC(=O)c1cc(C(=O)N2CCC(c3ccccc3Br)CC2)cc([N+](=O)[O-])c1 439032883 JQRBMBWWDNGIBE-UHFFFAOYSA-N 447.285 4.164 5 20 IIBD CC(C)c1ccc(C(=O)Nc2cc(Br)ccc2-n2cncn2)cc1[N+](=O)[O-] 439098589 HEYZBAWOTJRUNK-UHFFFAOYSA-N 430.262 4.314 5 20 IIBD COc1ccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c(O)c1 443557238 IGQDQSIIVQIYBH-UHFFFAOYSA-N 439.390 4.183 5 20 IIBD C[C@@H](Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)c1noc(Cc2ccccc2)n1 462482118 DVAYAPJEZZNPKH-MRXNPFEDSA-N 431.452 4.716 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1OCc1nnnn1C1CC1 462662121 MYVVCZGMNBMXGU-UHFFFAOYSA-N 449.254 4.054 5 20 IIBD COc1ccccc1CN(CCO)c1ccc(C(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-] 462854896 SOMKIFFNZQIICS-UHFFFAOYSA-N 435.480 4.163 5 20 IIBD C[C@H](CCc1cccn1C)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 462905394 YLXHYLHVIPPABF-MRXNPFEDSA-N 428.514 4.167 5 20 IIBD O=C(CCCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(Cl)cc1 463277121 CKILZPYUZAOWRY-UHFFFAOYSA-N 429.782 4.416 5 20 IIBD CCOc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C 464026730 SABUTCMZVOTTGH-SFHVURJKSA-N 427.501 4.452 5 20 IIBD C[C@H](C(=O)Nc1ccccc1OC(F)F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464770552 BWWOHZOLDZAPRI-CQSZACIVSA-N 435.427 4.067 5 20 IIBD Cc1nc(-c2ccc([C@H](C)NC(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)cc2)cs1 465032749 HJOPAGKMWLYIQH-ZDUSSCGKSA-N 439.493 4.218 5 20 IIBD CN(CCC1CCOCC1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 466838491 PWNOWDOLUAXOKT-UHFFFAOYSA-N 448.523 4.265 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCSCc1cccc2ccccc12 468120294 JMJJZAOINHBVGY-IBGZPJMESA-N 441.557 4.030 5 20 IIBD O=C(Nc1ccc(Br)cc1Cl)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 468890108 HMIFVKOLHFCBEU-UHFFFAOYSA-N 426.654 4.306 5 20 IIBD CC(C)[C@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1F 469761067 PZXHYNFTTQBKSZ-FQEVSTJZSA-N 447.850 4.168 5 20 IIBD COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 470371438 GCHDVHQWCKMYJR-ZDUSSCGKSA-N 430.848 4.100 5 20 IIBD O=C(N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1c[nH]c2cccc([N+](=O)[O-])c12 478487939 IOPXBQYBMOYYHH-CQSZACIVSA-N 427.766 4.212 5 20 IIBD Cc1ccc([C@H](C)N[C@H]2CCS(=O)(=O)c3ccc(Br)cc32)cc1[N+](=O)[O-] 480213939 MVXHNDKTGJMEOC-LRDDRELGSA-N 439.331 4.235 5 20 IIBD COCCNc1ccccc1NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 480809521 CISIEWOMYJBNGG-IAGOWNOFSA-N 426.517 4.388 5 20 IIBD C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C[C@@]2(CCCOC2)O1 482993458 JYTRIRRKFHVMCV-OPAMFIHVSA-N 434.558 4.287 5 20 IIBD COc1ccc(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)cc1[N+](=O)[O-] 484581744 GZKPCTHUAHVJKA-UHFFFAOYSA-N 435.259 4.137 5 20 IIBD O=c1oc2cc(F)c(Br)cc2n1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 486217111 BYLWQZJUFKBGMR-UHFFFAOYSA-N 434.177 4.108 5 20 IIBD CN1CCc2nc3ccccc3c(C(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)c2C1 486704837 BSODZFJCFDYMHQ-UHFFFAOYSA-N 444.413 4.080 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(N3CCC[C@H](c4nc(-c5cccc(F)c5)no4)C3)n2)cc1 486972865 TXVFXUOLZFMSPD-HNNXBMFYSA-N 436.403 4.218 5 20 IIBD Cc1cc(N2CCC(NC(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)CC2)nc(C)n1 488882950 YGKQEOJLEMWXDG-UHFFFAOYSA-N 446.511 4.144 5 20 IIBD COCCOC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CC1 489155013 JCELBLMDFUCCRF-UHFFFAOYSA-N 447.919 4.128 5 20 IIBD CC(C)n1c([C@@H]2CCCN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)C2)nc2ccccc21 489380869 RYCXDLSTAKUTEZ-OAHLLOKOSA-N 436.468 4.274 5 20 IIBD Cc1nc2cc(C(=O)Nc3n[nH]c(-c4cccc([N+](=O)[O-])c4)n3)ccc2n1-c1ccccc1 490359401 BNLSRVRUXOFEQK-UHFFFAOYSA-N 439.435 4.280 5 20 IIBD CCOC(=O)c1ncc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)s1 499518831 JBLCHSZPMNSYNJ-GFCCVEGCSA-N 441.469 4.048 5 20 IIBD O=C(N[C@@]1(Cc2ccc(Cl)cc2)CCOC1)c1ccc(Br)cc1[N+](=O)[O-] 500322744 OCZBNCRFTPCDGC-GOSISDBHSA-N 439.693 4.142 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(Cc1ccccn1)c1ccc(Cl)cc1 500493690 FEIJNRITZVZXJK-UHFFFAOYSA-N 433.873 4.047 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)c1 501283920 PGGZGGYPUJZFLL-ZDUSSCGKSA-N 427.251 4.082 5 20 IIBD CCOc1ccc(C(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)cc1[N+](=O)[O-] 501350616 WYKOXFFQNJIBNI-UHFFFAOYSA-N 437.427 4.315 5 20 IIBD CCOc1cc(C(=O)Nc2cnc(N3CCCC[C@H]3C)c(C)c2)c([N+](=O)[O-])cc1OC 503226890 AUDCKZZTGOERQX-OAHLLOKOSA-N 428.489 4.337 5 20 IIBD COC(=O)C[C@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)c1ccc(F)cc1 505642555 WWGHYWZTFHWTRJ-IBGZPJMESA-N 443.475 4.004 5 20 IIBD C[C@@H]1CN(Cc2ccccc2CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)O1 506007338 IZLKUSXKQQGICE-HUUCEWRRSA-N 432.908 4.179 5 20 IIBD O=[N+]([O-])c1cc(F)c(CSCc2nnnn2-c2ccccc2Br)c(F)c1 507106710 ZLAKSBWSWFIWPV-UHFFFAOYSA-N 442.245 4.045 5 20 IIBD C[C@@H]1CCCN(C[C@@H](C)NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 508342489 LCNVGHVJYUOLDX-KZNAEPCWSA-N 425.533 4.013 5 20 IIBD COc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)cc1Cl 509016074 YBEQLOIIJCEFIT-UHFFFAOYSA-N 446.628 4.422 5 20 IIBD COc1cc(CNCc2ccnc(N3CCCC3)c2)c([N+](=O)[O-])cc1OCc1ccccc1 509598468 FVWSFMIFNNUFEW-UHFFFAOYSA-N 448.523 4.467 5 20 IIBD CC(C)c1nccn1Cc1cccc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 509883714 GDLZULCCGJECME-UHFFFAOYSA-N 448.527 4.317 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 510658131 NARYDFOIGZLYAH-INIZCTEOSA-N 435.864 4.136 5 20 IIBD C[C@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCCN(C2CCC2)C1 511284077 CRCAVQIWKHRZJS-GJZGRUSLSA-N 442.482 4.185 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccccc1CN1CCc2ccccc21 511598076 XZZHWGNFHNYRRB-UHFFFAOYSA-N 432.480 4.488 5 20 IIBD O=C(c1c(F)cccc1F)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 512243757 LINHPLOBGHWKHR-UHFFFAOYSA-N 427.407 4.091 5 20 IIBD COc1cc(C(=O)NC[C@H](C)c2ccc(F)cc2)c([N+](=O)[O-])cc1OCc1cscn1 512811174 BWLXMFJWRWNPQV-ZDUSSCGKSA-N 445.472 4.312 5 20 IIBD C[C@@H]1C[C@H](CCNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 513494812 JXZUXGDJXVEZOB-CTNGQTDRSA-N 433.556 4.386 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@@H](COc2ccccc2Cl)C1 513836205 CRAGNBWRPSROKA-CYBMUJFWSA-N 445.324 4.381 5 20 IIBD C[C@@H](C(=O)N1CCC2(CCN(Cc3ccccc3)CC2)C1)c1ccc([N+](=O)[O-])cc1F 515409022 REUPYMKRJDFOTB-GOSISDBHSA-N 425.504 4.352 5 20 IIBD CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCc1ccccc1[N+](=O)[O-] 515569610 VQEZJPCIMDWPCH-QGZVFWFLSA-N 438.311 4.363 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCCN2CCC(C)CC2)cc1[N+](=O)[O-] 516254161 QSIQVQARUUSSKJ-UHFFFAOYSA-N 441.553 4.009 5 20 IIBD Cc1sc(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)nc1-c1ccc(Cl)cc1 516722623 RQSMNSNHHOYJRF-UHFFFAOYSA-N 444.900 4.243 5 20 IIBD CCOC(=O)c1c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)sc(C(C)=O)c1C 517651310 FZIIKKWUMQZSMW-UHFFFAOYSA-N 445.497 4.197 5 20 IIBD CC1(C)CN(CC2CN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)C2)c2cc(C3CC3)ccc21 520841095 DPEPVYUOULWCDN-UHFFFAOYSA-N 449.507 4.071 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2nnc(Cc3ccc(F)cc3)s2)cc1SC 521620565 VOOILOKZSULKIJ-UHFFFAOYSA-N 434.474 4.159 5 20 IIBD O=C(CSCc1ccc(Cl)cc1Cl)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 522860082 BZELAKAQFCBJJY-CQSZACIVSA-N 441.340 4.243 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NC3(c4nccs4)CCCC3)cc2)c(C)c1[N+](=O)[O-] 523821297 YCKHFJFTOGVMQT-UHFFFAOYSA-N 425.514 4.112 5 20 IIBD O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NCc1cccc([N+](=O)[O-])c1 524338556 STMPYCIRPHDHIC-UHFFFAOYSA-N 445.504 4.251 5 20 IIBD CC(C)OCc1ccccc1CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 525298496 HSXVPXNUMTZCAL-UHFFFAOYSA-N 427.501 4.273 5 20 IIBD O=C(CCCc1cc(Cl)sc1Cl)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 531500316 JZHXPHVPJXUVOQ-UHFFFAOYSA-N 429.329 4.030 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1 534038931 KSBSEYAQFXNQLZ-UHFFFAOYSA-N 444.491 4.091 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 534048824 XJQJMFOWOOLXLF-HXUWFJFHSA-N 447.438 4.010 5 20 IIBD CCOc1cc(C)ccc1NC(=O)c1cc(I)cc([N+](=O)[O-])c1 534286203 DFCSJNCDKXQXJQ-UHFFFAOYSA-N 426.210 4.159 5 20 IIBD O=C(NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 535459208 JIARTOIQIUGYPP-LJQANCHMSA-N 445.475 4.166 5 20 IIBD C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 535495576 MPHMODVPVACXFE-SNVBAGLBSA-N 444.702 4.032 5 20 IIBD O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c1 535673164 MYPONHILBSLALM-UHFFFAOYSA-N 435.484 4.143 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccc2[nH]c(-c3ccco3)nc2c1 536307742 SQWXSGJVYJAVDM-UHFFFAOYSA-N 429.392 4.297 5 20 IIBD CN(C(=O)c1ccc([N+](=O)[O-])cc1I)c1cccc2ncccc12 536353417 JBIXSWFWLIUMEZ-UHFFFAOYSA-N 433.205 4.024 5 20 IIBD NC(=O)CCC1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 538719866 OGYHGXJDWTUAJK-UHFFFAOYSA-N 436.306 4.095 5 20 IIBD C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1cccc(OC(F)F)c1 540322115 ADOYTIHSYXUXMP-SNVBAGLBSA-N 444.232 4.248 5 20 IIBD C[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccc(NC(=O)c2ccccc2)c1 540333430 RAUJAIWCPGFECA-QGZVFWFLSA-N 444.491 4.087 5 20 IIBD Cc1ccc(Nc2nnc(Sc3sc(S(C)(=O)=O)cc3[N+](=O)[O-])s2)cc1C 542103692 ZXNUQMWMNLYQRH-UHFFFAOYSA-N 442.569 4.423 5 20 IIBD COc1cc(Br)ccc1-c1noc(-c2ccn(-c3cccc([N+](=O)[O-])c3)n2)n1 545780954 CKMKLTPKZJQABJ-UHFFFAOYSA-N 442.229 4.269 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 546071112 MRJLWTCNSPHGOK-WBVHZDCISA-N 428.432 4.369 5 20 IIBD Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 546799930 XLPGIGQDVIPMFH-UHFFFAOYSA-N 437.309 4.170 5 20 IIBD COCC(=O)Nc1ccc(-c2noc(-c3csc(-c4cccc([N+](=O)[O-])c4)n3)n2)cc1 547009587 CCFFRDWFFRRTTB-UHFFFAOYSA-N 437.437 4.020 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc(OCC(F)F)nc2)no1 547258918 SOPSBAZOFFQQCP-SECBINFHSA-N 426.763 4.477 5 20 IIBD COc1cc(C(=O)NCc2ccc(C(=O)O)o2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 554282403 DJXUDXUZOIQYNQ-UHFFFAOYSA-N 446.799 4.270 5 20 IIBD CC(C)c1noc(Cc2ccc(NC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)cc2)n1 554941479 LDQWMNONFKVXMH-UHFFFAOYSA-N 432.440 4.130 5 20 IIBD Cc1cc(CN(CC(C)C)C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)nc(N2CCCCC2)n1 555316362 FBOKUEOEEQMNLJ-LJQANCHMSA-N 439.560 4.472 5 20 IIBD CCS(=O)(=O)c1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cc1 557203195 HBYHPJBJDUXQOW-AWEZNQCLSA-N 436.555 4.380 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 557316466 SYBGRMIRLRVBHR-IVZQSRNASA-N 438.509 4.339 5 20 IIBD COC(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 557826225 CJDZVXQQKKWEIN-UHFFFAOYSA-N 431.448 4.196 5 20 IIBD CC(C)CCOc1ccccc1CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 558083873 DFXMHOLJIRYZMV-QGZVFWFLSA-N 445.541 4.002 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1ccc2c(c1)CCCCC2=O)c1ccccc1[N+](=O)[O-] 572207985 XBSNNJVQLLMXSO-HXUWFJFHSA-N 438.480 4.317 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1 574213982 FKPIZZYFRUINLV-INIZCTEOSA-N 442.497 4.454 5 20 IIBD CCOC(=O)[C@H](C)NC(=O)c1ccc(NCc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1F 580578641 CFTFBYVRTBUAJZ-AWEZNQCLSA-N 431.464 4.151 5 20 IIBD CCCc1c(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)nnn1-c1cccc(C(C)C)c1 582267349 NKXMSWDBVZKAEG-UHFFFAOYSA-N 433.472 4.287 5 20 IIBD Cc1ccc(Cn2nc(C)c(CCC(=O)N(C)CCc3ccccc3[N+](=O)[O-])c2C)cc1 583102448 CFDLZKJQNIGERH-UHFFFAOYSA-N 434.540 4.399 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(Sc3nccn3C)cc2)c([N+](=O)[O-])cc1OC 590655509 CKUXUIPVHWYLQN-UHFFFAOYSA-N 428.470 4.139 5 20 IIBD CCn1c(SCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)nc2sc(C)c(C)c2c1=O 603680249 PODKNAUAMLLGPG-UHFFFAOYSA-N 443.510 4.345 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)cc1 603744874 CTPLUSZESVCZHR-UHFFFAOYSA-N 426.454 4.348 5 20 IIBD COc1cccc(NC(=O)COc2ccc(C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)cc2)c1 603966507 CIBHXMCMRCDYBE-INIZCTEOSA-N 449.463 4.112 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1 609069018 ASUDTGTVOIFHJY-UHFFFAOYSA-N 443.456 4.024 5 20 IIBD COc1cc(CCNC(=O)N2CCC(c3ccc(F)c(F)c3)CC2)c([N+](=O)[O-])cc1OC 609211554 YKJMWHUAQHDKPE-UHFFFAOYSA-N 449.454 4.022 5 20 IIBD O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CC[C@H](c2ccco2)C1 609528842 CTFJWWDMPITRQY-HNNXBMFYSA-N 437.418 4.439 5 20 IIBD CC(=O)N(Cc1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1)C(C)C 609725971 RNNKFFHIMBKDSY-UHFFFAOYSA-N 438.528 4.207 5 20 IIBD O=C(Nc1ccccc1NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1ccccc1 609761240 CTOLDYGQGMVADQ-UHFFFAOYSA-N 428.404 4.353 5 20 IIBD CC(=O)NC1CCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CC1 613400128 KUXVQJWMLGVZTP-UHFFFAOYSA-N 433.917 4.140 5 20 IIBD CC(C)(NCN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(Cl)c(Cl)c1 726589953 RZRDPXJINDOHTJ-UHFFFAOYSA-N 437.283 4.153 5 20 IIBD COc1cc(F)c(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2-c2cccs2)c(F)c1 726793247 ZHWXAQIPSFUGHY-UHFFFAOYSA-N 427.406 4.378 5 20 IIBD CC(C)(C)c1ccc([C@H](O)CCC(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 726870543 CIKLCBAVVCGVKU-LJQANCHMSA-N 439.468 4.499 5 20 IIBD COc1ccc(-c2cc(COC(=O)c3cc(SC)c(OC)cc3[N+](=O)[O-])on2)cc1 728650722 KVBRTHZRYNJRIX-UHFFFAOYSA-N 430.438 4.346 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1occc1CN1c2ccccc2C[C@@H]1C 728688602 QTHMLRRAGGBDDQ-INIZCTEOSA-N 449.463 4.243 5 20 IIBD O=C(Cc1cc(Cl)ccc1Cl)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730705703 ZDOHIDYYKHQUPK-HNNXBMFYSA-N 437.279 4.292 5 20 IIBD CC(C)(C)OC(=O)N1CCC(n2cccc2C(=O)OCc2ccc([N+](=O)[O-])cc2)CC1 731521407 XGWHJOWNDISXQI-UHFFFAOYSA-N 429.473 4.325 5 20 IIBD Cc1ccccc1Nc1nc(COC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])cs1 731734674 DVNXOLGIKHSXTD-UHFFFAOYSA-N 427.438 4.038 5 20 IIBD C[C@@H](OC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])C(=O)Nc1ccccc1-c1ccccc1 731736068 ADWYZCHTGJKTDX-MRXNPFEDSA-N 448.431 4.024 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1cc([N+](=O)[O-])ccc1Cl 734780885 WUNIBNOCMPOTHD-SFHVURJKSA-N 434.876 4.427 5 20 IIBD O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN(CCc1ccc(Cl)cc1)CC1CC1 735073060 KTVHDDYTVVDXAP-UHFFFAOYSA-N 438.915 4.384 5 20 IIBD Cc1ccc([C@H](C)NC(=O)COC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1C 735149758 VPGHVGSZCSDWLQ-HNNXBMFYSA-N 434.876 4.055 5 20 IIBD CN(C)C(=O)Nc1cccc(C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 739683554 GSLDWEHVFVPQOC-UHFFFAOYSA-N 448.435 4.160 5 20 IIBD Cc1ccc2c(COC(=O)c3ccc([N+](=O)[O-])cc3Br)cc(=O)oc2c1C 740421609 GDTGXBNUHNWPKA-UHFFFAOYSA-N 432.226 4.438 5 20 IIBD CN(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)CC1(c2ccc(Br)cc2)CC1 741240722 FSOFMUUEFMNGOJ-UHFFFAOYSA-N 442.317 4.237 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1c[nH]cc1-c1ccc2c(c1)OCCO2 742039287 CWKOJXRTKMBKAV-UHFFFAOYSA-N 427.844 4.287 5 20 IIBD CN(C(=O)c1ccc(Cl)cc1)c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 742331113 HMPSFTAXZOLSBC-UHFFFAOYSA-N 446.868 4.293 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)[C@H](C)CC(=O)c1cccc(Br)c1 745225799 JFODEMSWRDKAFZ-GFCCVEGCSA-N 436.258 4.318 5 20 IIBD C[C@H]1[C@H](C(F)(F)F)OC(=O)N1c1ncccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 746486679 ZWDBWJVIKWHAID-ISVAXAHUSA-N 444.753 4.172 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@H](C)c1nc2ccccc2n1C(F)F 749263310 UFWUPGRLANTMKI-SECBINFHSA-N 435.343 4.208 5 20 IIBD C[C@H](OC(=O)Cc1csc(-c2ccc(F)c(F)c2)n1)C(=O)Nc1cccc([N+](=O)[O-])c1 750164332 GJVRWXAHCIUXBD-NSHDSACASA-N 447.419 4.109 5 20 IIBD C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1cccc([N+](=O)[O-])c1 750841538 HGLWCRPUPVGCOM-MRVPVSSYSA-N 428.626 4.410 5 20 IIBD O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1cc(O)nc2c(Br)cccc12 751676582 TUNCPGMDHHNCLF-UHFFFAOYSA-N 444.197 4.109 5 20 IIBD COC(=O)c1ccc(-c2nc(COC(=O)c3cc(F)cc(C)c3[N+](=O)[O-])cs2)cc1 752557834 MDQGRBAYMBTVSK-UHFFFAOYSA-N 430.413 4.309 5 20 IIBD Cc1cc(C(F)(F)F)nc(N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)n1 754030265 NLVCNJAQTMIDSD-UHFFFAOYSA-N 435.328 4.057 5 20 IIBD C[C@H](OC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ncc(Cl)cc1Cl 755065831 MSJLYFUVBUYPEO-BDAKNGLRSA-N 430.219 4.110 5 20 IIBD Cc1ccc(OC(=O)CSCc2nc(O)c3c4c(sc3n2)CCCC4)cc1[N+](=O)[O-] 755249718 FKLNRFDQXYKIIV-UHFFFAOYSA-N 445.522 4.331 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 761110286 PHWNOFAUFZTHSV-SECBINFHSA-N 440.243 4.151 5 20 IIBD CC(C)(C)OC(=O)N1CCC(Cc2noc(CCCNc3ccc([N+](=O)[O-])cc3)n2)CC1 761762454 RMGQMTINUWRRJP-UHFFFAOYSA-N 445.520 4.212 5 20 IIBD Cc1ccc(-c2nnc([C@H](C)OC(=O)c3cc([N+](=O)[O-])ccc3SCCO)o2)cc1C 763745865 WXXUVGNCOCXHMI-AWEZNQCLSA-N 443.481 4.264 5 20 IIBD COc1ccccc1[C@H](OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccccn1 764692577 FVQJRQLKBZVHRZ-QFIPXVFZSA-N 430.420 4.131 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCO[C@](C)(c3ccccc3)C2)c1=S 765076977 DDULUTXFOYKETK-QFIPXVFZSA-N 439.541 4.214 5 20 IIBD COc1ccc(COC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c(Br)c1OC 766220959 CDKVBNYYYIIYDP-UHFFFAOYSA-N 447.241 4.280 5 20 IIBD COC(=O)c1oc([C@H](C)OC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1C 767273439 WNVXNLCGMFAIAQ-HNNXBMFYSA-N 441.440 4.062 5 20 IIBD CC(=O)[C@@H](Cc1c(F)cccc1F)OC(=O)Cn1c2ccccc2c(=O)c2ccccc21 768544495 VARNBTNQWDNNNH-HSZRJFAPSA-N 435.426 4.176 5 20 IIBD CCCOc1ccc(CN(CCC)S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1OC 768792985 LNUDAJMFRRBGSN-UHFFFAOYSA-N 428.532 4.055 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 769604510 UDVJKVYDBCLQDF-UHFFFAOYSA-N 441.469 4.344 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 775732193 UZBKPBFZDSHGAX-ADLMAVQZSA-N 442.274 4.441 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1noc(-c2ccc(F)cc2F)n1 781155504 BVUZELKJQWGSTE-UHFFFAOYSA-N 447.397 4.226 5 20 IIBD Cc1cc(COC(=O)C2(c3ccc(Br)cc3)CCOCC2)ccc1[N+](=O)[O-] 781170677 XEZTWQIVYUFNKN-UHFFFAOYSA-N 434.286 4.457 5 20 IIBD Cc1ccccc1CN(Cc1ccccn1)C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781964686 BSDVCKKETYGSSV-UHFFFAOYSA-N 434.452 4.368 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(N2C(=O)CCCC2=O)cc1 783897278 DDTRRTZTNAKZII-UHFFFAOYSA-N 433.873 4.023 5 20 IIBD CC(=O)Nc1cccc(NC(=O)[C@@H](OC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C(C)C)c1 784256702 MFBMWYCLFZEEHE-NRFANRHFSA-N 441.484 4.497 5 20 IIBD O=C(Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1)c1ccc2cncn2c1 785744353 ICAJJXFLDIZERW-UHFFFAOYSA-N 436.811 4.367 5 20 IIBD CC[C@H](Oc1ccccc1Cl)C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 786585344 JJGZDKZGNMXCDP-HNNXBMFYSA-N 427.240 4.241 5 20 IIBD COC(CCCC(C)(C)CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)OC 788007711 RZRXGRHITQAZLD-UHFFFAOYSA-N 432.315 4.294 5 20 IIBD CCCOc1cc(OC)ccc1C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 789207656 BDZLVWZQCQQKOT-GFCCVEGCSA-N 436.848 4.230 5 20 IIBD C[C@H](c1nnc(SCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1-c1ccc(F)cc1)N(C)C 789440002 FGSNUKDTXJZZIR-GFCCVEGCSA-N 446.464 4.138 5 20 IIBD Cc1cccc(S(=O)(=O)CCCOc2cc(F)c(Br)cc2[N+](=O)[O-])c1 790296352 ORIYVZDHPPNFCD-UHFFFAOYSA-N 432.267 4.048 5 20 IIBD CCn1nc(C)c([N+](=O)[O-])c1Sc1nnc(CSc2nc3ccccc3s2)n1C 795066010 QIFRRODOGFCKKH-UHFFFAOYSA-N 447.571 4.301 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1 796080777 JQJNXSXEPXIDAI-FQEVSTJZSA-N 446.912 4.173 5 20 IIBD Cc1onc(-c2cccc(Cl)c2)c1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F 796386203 JESRNDSZYAOYHU-UHFFFAOYSA-N 433.779 4.146 5 20 IIBD C[C@@H](OC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1nc2cc(Br)cnc2[nH]1 796863176 GUANZVCKUABFAS-SNVBAGLBSA-N 433.262 4.211 5 20 IIBD CC(C)[C@@H](C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1cccnc1 797904640 PTVKQTPSVKMHPK-SJKOYZFVSA-N 439.390 4.319 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)Cc1ccccc1Cl 800178786 DSUIIMKBDAVRPM-UHFFFAOYSA-N 430.613 4.118 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(Cl)c(SC(=O)N(C)C)c1 808116673 DYAYMFONNFBJQQ-UHFFFAOYSA-N 429.907 4.131 5 20 IIBD C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1Cl)c1cc(F)ccc1N1CCN(C)CC1 809919628 MGNGMJVZCMLONK-CYBMUJFWSA-N 435.887 4.022 5 20 IIBD O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cnc(OCc2ccccc2)cn1 811220509 JRTRDAISQLSYOK-UHFFFAOYSA-N 448.460 4.444 5 20 IIBD CC(=O)c1ccc(N2CCN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC2)c(F)c1 813390252 UBIHHIUCZDZYHJ-UHFFFAOYSA-N 440.258 4.206 5 20 IIBD CN(C)c1cc(F)c(C(=O)OCc2nc3ccc(Br)cc3o2)cc1[N+](=O)[O-] 814482060 JJCSPMJPGQQCAP-UHFFFAOYSA-N 438.209 4.061 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H](O)c1ccc(Br)cc1 815209828 FVDZFRGCECUPEL-CQSZACIVSA-N 434.164 4.153 5 20 IIBD Cc1ccc(NCCCNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c([N+](=O)[O-])c1 815673956 IWSRVTISOPNAMH-UHFFFAOYSA-N 426.351 4.062 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 816865539 RESKWWGAMPKUEU-KRWDZBQOSA-N 435.546 4.226 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 821482408 ZBISTABYXJLJCC-AWEZNQCLSA-N 442.859 4.235 5 20 IIBD CC(C)OCc1c(C(=O)OCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)oc2ccccc12 852997801 KPUBGQOZUBTOBG-UHFFFAOYSA-N 438.436 4.012 5 20 IIBD COc1cc(C)c([C@H](C)Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])cc1OC 917068072 OFCMRBQZVZPSJQ-NSHDSACASA-N 448.419 4.387 5 20 IIBD COc1cc(C(=O)O[C@H](C)c2nc(C(C)C)no2)c([N+](=O)[O-])cc1OCc1cscn1 920652988 OLISIJOWERFCAF-LLVKDONJSA-N 448.457 4.063 5 20 IIBD O=C(Nc1ccc(OC(=O)[C@H]2CSCCS2)cc1)c1cc([N+](=O)[O-])ccc1Cl 923454625 HPUSYFMNNZRMKC-MRXNPFEDSA-N 438.914 4.255 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1318708297 PMKDBMBQNXPBJD-GFCCVEGCSA-N 429.274 4.253 5 20 IIBD Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 1319795830 HJKHBCFTNKXJIM-UHFFFAOYSA-N 449.250 4.098 5 20 IIBD Cn1ccnc1Sc1ccccc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1N 1327144973 JMGWLURWQFNIHD-UHFFFAOYSA-N 448.302 4.077 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCC[C@@H]4C)CCC3)cc2)ncc1[N+](=O)[O-] 1788766343 HHRWUBAITLQGQA-HNAYVOBHSA-N 436.512 4.482 5 20 IIBD C[C@H]1CCC[C@@H]1C(=O)NC1(c2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2)CCC1 1790619976 OXRFPOUNMZDMJB-KXBFYZLASA-N 437.496 4.484 5 20 IIBD O=C(c1cccs1)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3cccc([N+](=O)[O-])c3)CCC1)C2 1794967826 NKCFSZURMZRSPR-BCDXTJNWSA-N 439.537 4.030 5 20 IIBD Cc1cc(C)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccccc2[N+](=O)[O-])c1 1804343821 GDCZVCMTLGIFTG-XYWZUZSCSA-N 433.508 4.177 5 20 IIBD CC1(C(=O)N2CC3(CCCN3C(=O)C3(c4cccc([N+](=O)[O-])c4)CCC3)C2)CCCCC1 1845143870 UYRGFUQKJMPBIT-UHFFFAOYSA-N 439.556 4.190 5 20 IIBD C[C@@H](OC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)Nc1ncccn1 11745530 KNPKJOWJTFESHE-GFCCVEGCSA-N 442.815 4.015 5 20 IIBD CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 12483185 VNEDHWRVXLTICZ-UHFFFAOYSA-N 426.256 4.011 5 20 IIBD Cc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)n2)c(C)c1 14393130 ZIFKMUIFOFHXKJ-UHFFFAOYSA-N 438.509 4.424 5 20 IIBD Cc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c1 15351511 JNBMKXYXUOZUPF-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD CCOc1ccccc1NC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 15657175 SYBBVPHBVRTGDK-UHFFFAOYSA-N 442.449 4.014 5 20 IIBD O=C(Nc1ccccc1C(=O)N1CCCCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 16014342 USJWVHTVYFKBPC-UHFFFAOYSA-N 436.512 4.076 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(C)n1CC(F)(F)F 16405849 MCAQEZZBGPYGEH-UHFFFAOYSA-N 433.770 4.024 5 20 IIBD O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 22921511 UEWVWGZSIBXUTA-UHFFFAOYSA-N 444.491 4.394 5 20 IIBD COc1ccc(C(=O)COC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1Br 24170827 APVFUCHHIBPGIH-UHFFFAOYSA-N 428.622 4.059 5 20 IIBD O=C(Nc1ccc(-n2cncn2)nc1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 24882676 NERZZRLXPHLAPX-UHFFFAOYSA-N 449.858 4.088 5 20 IIBD O=C(c1ccc(CNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])cc1)N1CCOCC1 26145421 QARBKBNCAQNYPR-UHFFFAOYSA-N 443.809 4.352 5 20 IIBD Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)N(C)Cc4ccccc4[N+](=O)[O-])cc3C2=O)c1 31930112 YSMHVMFRAIQPDV-UHFFFAOYSA-N 443.459 4.284 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C(=O)CCC2CCCCC2)CC1 59808769 UEYKWODIJIVZIW-QGZVFWFLSA-N 433.574 4.107 5 20 IIBD CCOc1ccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)cc1[N+](=O)[O-] 61341178 DWGXXCKOKRQEPY-UHFFFAOYSA-N 443.463 4.171 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NCCOc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 64113401 KCZGVCVFAMIIQT-UHFFFAOYSA-N 434.374 4.069 5 20 IIBD CC[C@H](C)C(=O)Nc1cccc(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 71928721 LAIQSNNBHBXFON-KRWDZBQOSA-N 438.528 4.112 5 20 IIBD O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)CC3 96792810 BRQRJIZVOMPOEV-KAMYIIQDSA-N 429.388 4.207 5 20 IIBD O=C(NCc1ccc(-n2cnc3ccccc32)cc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 116177004 PHOZJNLHMCHEPW-UHFFFAOYSA-N 438.447 4.049 5 20 IIBD COc1ccc(CNCc2ccc(N3CCCC3)nc2)cc1OCc1ccc([N+](=O)[O-])cc1 237470324 KRRMXVPKLSCJRD-UHFFFAOYSA-N 448.523 4.467 5 20 IIBD CCc1cc(Nc2ccc(Cc3nnc4n3CCC4)cc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 302695249 GJXYRWBJYZGSPI-UHFFFAOYSA-N 441.495 4.486 5 20 IIBD O=C(N[C@H]1CCSc2ccccc21)c1ccc([N+](=O)[O-])cc1I 303181282 YJRJRPRBIYVCJL-AWEZNQCLSA-N 440.262 4.166 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N1CC[C@H](Oc2cccc(Cl)c2)C1 409512313 ISBHLWXTAUDKNB-NSHDSACASA-N 431.695 4.366 5 20 IIBD CCS(=O)(=O)c1cccc(CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c1 410217520 RQZYCWVOHOJBBM-UHFFFAOYSA-N 439.493 4.062 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N(CC1CCC1)CC(F)(F)F 427909506 BPNDLOPGMLMPFR-UHFFFAOYSA-N 442.175 4.004 5 20 IIBD O=C(Nc1n[nH]c(-c2ccccc2F)n1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 429400559 FNAISTMKFBNEHS-UHFFFAOYSA-N 433.399 4.350 5 20 IIBD CCOc1ccc([C@@H](C)NC[C@@H](CO)Cc2ccc(Br)cc2)cc1[N+](=O)[O-] 429415784 GQMRLVHLFBSLRP-ZBFHGGJFSA-N 437.334 4.258 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N(Cc1ccccc1)CC1CCOCC1 432679542 QSPWTBVAVCSLIN-UHFFFAOYSA-N 433.302 4.426 5 20 IIBD CCCOc1ccc2c(c1)CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)C2 435390926 QVRNJBBQDJSEHC-UHFFFAOYSA-N 433.302 4.274 5 20 IIBD C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] 436427762 HXUXKHDKONYEID-VBKZILBWSA-N 440.887 4.179 5 20 IIBD COc1cccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-] 436460849 VJVNOVHYCHXJCG-UHFFFAOYSA-N 431.492 4.151 5 20 IIBD CCOc1cc(NC(=O)N(CCCO)[C@@H]2CCc3ccccc32)c([N+](=O)[O-])cc1OCC 444037912 GZXABOSYAASJQD-LJQANCHMSA-N 443.500 4.296 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 444730111 NPCTZLUOYCXBTJ-UHFFFAOYSA-N 445.903 4.365 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(Cc3ccc(F)c(F)c3)no2)c(I)c1 445451363 DSMZLBLSIQUQLQ-UHFFFAOYSA-N 443.147 4.118 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3csc(Cc4ccc(F)cc4)n3)n2)c1 445577271 OOCWYLFNBABJKX-UHFFFAOYSA-N 426.429 4.431 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 446485450 PSEFXLMALRYMQK-QGZVFWFLSA-N 438.253 4.410 5 20 IIBD COc1ccc(CNC2(c3cccc(OC(F)(F)F)c3)CCOCC2)cc1[N+](=O)[O-] 446857876 XLIJIAICYLBMKE-UHFFFAOYSA-N 426.391 4.298 5 20 IIBD CO[C@H]1CCOc2c(NC(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)cccc21 448052986 XNFCMRDMDMXVBQ-FQEVSTJZSA-N 427.457 4.140 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@H](c2ccccc2Cl)OC[C@H]1C 460317687 PEROXCRXWYCDKR-AUUYWEPGSA-N 427.892 4.493 5 20 IIBD O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 461453583 YZMRVKCBZYSCIQ-RTWAWAEBSA-N 437.543 4.275 5 20 IIBD CCN(CCc1cccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 461579425 DMRKGQSGQBKMBB-MRXNPFEDSA-N 427.530 4.020 5 20 IIBD C[C@@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Cl)c2ccccc12 462205375 VQMUKZZRPGUBRN-GFCCVEGCSA-N 443.912 4.470 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](c3ccc(F)cc3)CC2)c2ncccc12 464219746 XCXWZUDFWDCIAJ-HNNXBMFYSA-N 429.473 4.241 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)Oc2cccc(Br)c2)c1 464694954 WNNWSPZVKQEVGX-LLVKDONJSA-N 425.304 4.277 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(OC)c(I)c1 464719405 KEDQWKOTCWXNRH-UHFFFAOYSA-N 426.210 4.023 5 20 IIBD COc1cc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2C)ccc1[N+](=O)[O-] 469034747 QPYNDOCTLZXXTJ-UHFFFAOYSA-N 428.466 4.292 5 20 IIBD O=C(NC[C@@H]1CCCN(c2ccccc2)C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 469124441 IGUQVHIPLRLICG-HNNXBMFYSA-N 437.418 4.182 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2ccc(C)cc2C)C1 471324754 ZUQNHTCJLHQHAH-KRWDZBQOSA-N 442.537 4.497 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] 471508440 QFYGDWMJCUQNIC-PIPMEXSNSA-N 439.487 4.099 5 20 IIBD Cc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c(N2CCOCC2)c1 475193210 BKLFOEQVQHGZFP-UHFFFAOYSA-N 438.406 4.080 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1cc(O)cc([N+](=O)[O-])c1 475312251 LUBWAFSEMPABJM-UHFFFAOYSA-N 447.856 4.007 5 20 IIBD O=[N+]([O-])c1ccc(CSc2nnc(CN3CCCC3)n2Cc2ccccc2)c(F)c1 476458969 LJNFFPKRZBBHRZ-UHFFFAOYSA-N 427.505 4.262 5 20 IIBD Cc1c(CNC(=O)N[C@@H](c2ccccc2)c2nc3ccccc3n2C)cccc1[N+](=O)[O-] 478898049 KLEGSQDKAGFZDX-QFIPXVFZSA-N 429.480 4.379 5 20 IIBD Cc1ccc([C@@H](Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])c2ccccn2)cc1 480576441 JZIYIIVQJSAEFM-JOCHJYFZSA-N 427.464 4.464 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCSC[C@H]2c2cnn(C)c2)cc1[N+](=O)[O-] 482131798 YIJARBXUAFOKRC-SFHVURJKSA-N 434.587 4.397 5 20 IIBD C[C@H](O)[C@@](C)(CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccccc1 482174272 YLDLVAGOALRZIK-OYHNWAKOSA-N 425.510 4.078 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 482178547 ICOLYTSYYJBCLE-AWEZNQCLSA-N 447.278 4.381 5 20 IIBD C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 485394261 UTOLRVCBYLFQHD-AWEZNQCLSA-N 429.473 4.397 5 20 IIBD COc1cc(C(=O)N(C2CC2)[C@@H](C)C(=O)O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 485605120 CEYQNPUXIBWKOT-NSHDSACASA-N 434.832 4.127 5 20 IIBD O=C1CCc2cc(F)c(NC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])cc2N1 486367094 FKXHYOOBNQGPDM-UHFFFAOYSA-N 435.411 4.450 5 20 IIBD O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 487099909 WCPMLKVOEFWFIH-CQSZACIVSA-N 430.258 4.112 5 20 IIBD Cc1ccc([C@H](C)NC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)cc1[N+](=O)[O-] 488079029 JZCYAUAXRGVBQK-SWLSCSKDSA-N 436.295 4.440 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 489318401 WAZDGEVHEMFCRM-NSHDSACASA-N 437.403 4.314 5 20 IIBD O=C(Nc1ccc(OC(F)F)c2ncccc12)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 489978383 FJGBTZNBRBZBQF-UHFFFAOYSA-N 425.351 4.182 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCC[C@@H](c2ccccc2)C(F)(F)F)cc1OC 490988155 KNCDNKJQVHNELH-HNNXBMFYSA-N 426.391 4.468 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc3c2CN([C@H](C)C(C)C)C3)cc1[N+](=O)[O-] 493900069 JOBXGYAMIOJSTE-IAGOWNOFSA-N 438.528 4.079 5 20 IIBD COc1cc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2OC)ccc1OCc1ccccc1 494630886 OXFXDZJQLSEXIB-UHFFFAOYSA-N 436.464 4.463 5 20 IIBD CC(C)(NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 497354622 JVEYQQINJFGGHG-UHFFFAOYSA-N 442.324 4.144 5 20 IIBD Cc1ccc(Br)c(S(=O)(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)c1 497984320 PWMJNUXGLZUUFM-INIZCTEOSA-N 443.344 4.102 5 20 IIBD CC(C)Nc1cccc(F)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 498014889 GWMGQLCMAAHSKY-UHFFFAOYSA-N 432.271 4.118 5 20 IIBD O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1 498238097 RKYGWCSHIXDNRF-IBGZPJMESA-N 434.431 4.368 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 498409264 JHXLECHPWVCLJO-SIKLNZKXSA-N 430.508 4.270 5 20 IIBD COc1ccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1Oc1ccc(C)nn1 498791318 DPBVFSKMLPTSRS-UHFFFAOYSA-N 437.456 4.325 5 20 IIBD COc1ccc(C2(CNC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CCOCC2)cc1 501021965 SHOSKQPTJPXGAC-UHFFFAOYSA-N 426.513 4.379 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)cc([N+](=O)[O-])c1 502147326 SXMBZHDRPRNQJC-CYBMUJFWSA-N 441.415 4.072 5 20 IIBD CC(C)n1nc(-c2ccccc2)cc1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 505294778 ZLVDHLXOWSXHAF-UHFFFAOYSA-N 449.467 4.366 5 20 IIBD CCOc1cc(C(=O)N[C@@H](c2ccc(OC)cc2)C(F)(F)F)c([N+](=O)[O-])cc1OC 505387534 MLOCANQZSCTIJJ-KRWDZBQOSA-N 428.363 4.044 5 20 IIBD CC(C)(CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1cccc(Br)c1 506786302 LFULFSXXHULJTC-UHFFFAOYSA-N 427.320 4.151 5 20 IIBD CN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 506805240 LTXYJRYULOAWKU-UHFFFAOYSA-N 448.310 4.373 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 506990266 NBSPZAOYEISNPB-UHFFFAOYSA-N 433.302 4.144 5 20 IIBD C[C@@H](Oc1cccc(Br)c1)c1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C 507984229 VWJXLOJBEWEZGY-CYBMUJFWSA-N 446.305 4.262 5 20 IIBD CC1(C)CCc2ccccc2[C@H](NC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)C1 508329889 IVPQHTLEBFKCIJ-GOSISDBHSA-N 435.480 4.082 5 20 IIBD C[C@@H](c1ccccc1F)N(C)C(=O)c1ccc([N+](=O)[O-])cc1I 508995121 GGCCNMRTKUKJKV-JTQLQIEISA-N 428.201 4.172 5 20 IIBD O=C(Nc1cccc(OC(F)F)c1)c1ccc([N+](=O)[O-])cc1I 510862954 BZUZELGZZQGSEZ-UHFFFAOYSA-N 434.136 4.053 5 20 IIBD Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1[N+](=O)[O-] 511395346 QTJUYNNQOGWRCC-WBVHZDCISA-N 435.402 4.313 5 20 IIBD CC(=O)NCCN(Cc1ccc(C)s1)C(=O)c1cc([N+](=O)[O-])ccc1SC(C)C 512046075 NWMOZGJKUAIJIZ-UHFFFAOYSA-N 435.571 4.244 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@H]2CCO[C@@H]2c2cccnc2)cc1 512336603 DMTLLZWRGZXVME-UKILVPOCSA-N 441.491 4.462 5 20 IIBD Cc1c(NC(=O)c2cc3ccccc3c3cccnc23)ccc(F)c1N1C(=O)CNC1=O 513888453 ZNKRDHHBHAMJRT-UHFFFAOYSA-N 428.423 4.144 5 20 IIBD CCc1c(C(=O)NCc2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(Br)cc1 515624308 MSYUMLMBWUFMEL-UHFFFAOYSA-N 429.274 4.035 5 20 IIBD CN(CCCCCc1cc(-c2ccccc2)n[nH]1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F 515924066 RBJOHGFGQOKXIY-UHFFFAOYSA-N 446.504 4.158 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccccc1OCCn1ccnc1 516333717 NMHCJQQAHNEUIV-UHFFFAOYSA-N 438.487 4.069 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N[C@@H]2CCSc3ccc(F)cc32)c1 517488502 ASDZZRVKDCUTJJ-CQSZACIVSA-N 447.307 4.012 5 20 IIBD Cn1cc(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)c(-c2ccc([N+](=O)[O-])cc2)n1 517559419 SLJMJFVGOVZGRS-UHFFFAOYSA-N 448.508 4.458 5 20 IIBD CC(C)C[C@H](CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)N[C@H](C)c1ccccc1 517713992 JZLAAVBYXPFTNG-WIYYLYMNSA-N 449.555 4.491 5 20 IIBD COc1ccc(CN2CCC(CNC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 520140298 OVOKLJGFJAOEFL-UHFFFAOYSA-N 432.908 4.291 5 20 IIBD COc1ccc([C@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc2Cl)cc1 523524411 PKZSKIXKTPPTCE-NRFANRHFSA-N 446.912 4.466 5 20 IIBD Cc1c(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)sc2ccccc12 524638269 LARFFWICMAKUFG-UHFFFAOYSA-N 443.912 4.370 5 20 IIBD O=[N+]([O-])c1ccc(OCCN[C@@H](c2cccc(Br)c2)C2CCOCC2)cc1 525973512 HRIOZOSVDGANRF-HXUWFJFHSA-N 435.318 4.494 5 20 IIBD COC(=O)[C@@H]1CN(C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc21 530553173 DWXNMQKOTCYKOF-CYBMUJFWSA-N 440.399 4.009 5 20 IIBD CC[C@@H]1CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)[C@H](CC)CN1C(C)=O 530747703 WDXQNDSNFUIWFH-NHCUHLMSSA-N 438.528 4.068 5 20 IIBD Cn1c([C@@H]2CCCCN2CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc2ccccc21 533065296 DTWREMHANUQDMM-IBGZPJMESA-N 427.892 4.301 5 20 IIBD Cc1nc(COc2cccc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)c2)no1 536214045 QPOCFJAFIBFXFF-UHFFFAOYSA-N 437.437 4.241 5 20 IIBD O=C(N[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 539697556 RACLYMXFRTUKIL-GOEBONIOSA-N 436.386 4.451 5 20 IIBD Cc1cc(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)nn1-c1cccc(F)c1 539776537 XYXBQHAQROTTRA-UHFFFAOYSA-N 436.365 4.433 5 20 IIBD C[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccc(NC(=O)c2ccccc2)c1 540332560 GAUVAALFFPSKLX-QGZVFWFLSA-N 444.491 4.087 5 20 IIBD Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NCc1c([N+](=O)[O-])ncn1C 541640719 IGKDDYOPDHOAOT-SNVBAGLBSA-N 436.335 4.374 5 20 IIBD CSC[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 543596886 HLRDIPMRLBLFTL-KRWDZBQOSA-N 448.488 4.081 5 20 IIBD C[C@H](C(=O)NCCc1c[nH]c2ccc(Br)cc12)c1ccc([N+](=O)[O-])cc1F 544589712 ULQWZCJZHYQPML-NSHDSACASA-N 434.265 4.440 5 20 IIBD Cc1cc(NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)ccc1OC(C)C 551725743 SMTNBDXJUKOQNB-UHFFFAOYSA-N 436.262 4.030 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 552680088 FCQOCXQPXYNZPS-SBUREZEXSA-N 443.931 4.140 5 20 IIBD O=[N+]([O-])c1cc2c(NC[C@H]3CCN(c4cccc(Br)c4)C3)ncnc2s1 553333222 JRDRBHGVNVHYME-LLVKDONJSA-N 434.319 4.300 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 554135980 UYNDWUTXUKQJGY-OFQRWUPVSA-N 436.917 4.043 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)s1 557716317 PBGAWMVBVGMBSI-UHFFFAOYSA-N 437.465 4.318 5 20 IIBD CCOc1ccc(-c2nc(CC(=O)N(C)CCc3ccccc3[N+](=O)[O-])cs2)cc1 560722834 YVCAUQISLIBHEA-UHFFFAOYSA-N 425.510 4.361 5 20 IIBD CCCOc1cc(NC(=O)NCc2cnn3ccccc23)c([N+](=O)[O-])cc1OCCC 562035458 PENJONGHQVEYPB-UHFFFAOYSA-N 427.461 4.142 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1nc2c(s1)CCCC2(C)C 562142389 JKIAJPMJKZOVSS-UHFFFAOYSA-N 430.530 4.041 5 20 IIBD O=C(NCCn1cc([N+](=O)[O-])cn1)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CC2 567443897 XZULZVUBRYLJHR-QINSGFPZSA-N 445.504 4.318 5 20 IIBD COc1ccc(CNC(=O)N(C)[C@H](C)Cc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] 567534065 FNPSZTYIYGINBC-CYBMUJFWSA-N 425.407 4.395 5 20 IIBD CC(C)[C@H](NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)C1(CO)CCC1 568918519 FVKHZISLJJNXNF-KKSFZXQISA-N 426.517 4.080 5 20 IIBD CC(C)(CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])Oc1cc(F)cc(F)c1 573989438 SLNBTLSFLRHBDL-UHFFFAOYSA-N 448.344 4.402 5 20 IIBD CNc1ccc(-c2nc(Cc3ccc(OC)c(OC)c3Br)no2)cc1[N+](=O)[O-] 582936068 DNKJHYLDCGMSRT-UHFFFAOYSA-N 449.261 4.057 5 20 IIBD Cn1cnc([N+](=O)[O-])c1-c1noc(-c2cccnc2Nc2ccc(Cl)c(Cl)c2)n1 589147838 YRIGGGNYXNADGF-UHFFFAOYSA-N 432.227 4.491 5 20 IIBD CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 603495029 DWLKNTXJKYJSIM-CQSZACIVSA-N 446.525 4.330 5 20 IIBD COCCN(C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C1CCCC1 603529134 LWGLVLRNQBNXAV-UHFFFAOYSA-N 448.523 4.408 5 20 IIBD CCCCc1c(C)nc2nc(SCC(=O)Nc3c(C)cccc3[N+](=O)[O-])nn2c1C 603917829 GALHMUPNRKYIMO-UHFFFAOYSA-N 428.518 4.031 5 20 IIBD C[C@@H](Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 604045950 LIJDEKWZYSYDSD-OAHLLOKOSA-N 436.443 4.354 5 20 IIBD COc1cc(CCNC(=O)N2CCCC[C@@H]2c2ccccc2OC)c([N+](=O)[O-])cc1OC 609281945 CXFLVXSWYLVABF-GOSISDBHSA-N 443.500 4.100 5 20 IIBD O=[N+]([O-])c1cccc(-n2ccc(-c3nc(-c4cccc(OCc5cccnc5)c4)no3)n2)c1 609475480 LUUYBECMNYXVRS-UHFFFAOYSA-N 440.419 4.472 5 20 IIBD COc1ccccc1CCNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 609854061 JPAHLFJKAICBOZ-UHFFFAOYSA-N 435.267 4.068 5 20 IIBD CCOC(=O)c1ccnc(N(CC)Cc2cc(Br)ccc2F)c1[N+](=O)[O-] 609961625 BBQARGZICQKLPM-UHFFFAOYSA-N 426.242 4.095 5 20 IIBD CC1(C)[C@H](NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)[C@@H]2CCO[C@H]21 610154631 JLTVKBPMPIRCKJ-CWFSZBLJSA-N 429.904 4.404 5 20 IIBD Cc1nc(-c2ccc(Br)cc2)c(NC(=O)COc2ccc([N+](=O)[O-])cc2)n1C 610183175 WHECSZLDMICHTQ-UHFFFAOYSA-N 445.273 4.084 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ccc(SCc2ccccc2)cn1 611087083 SKRKDCDONWKUIV-UHFFFAOYSA-N 437.477 4.235 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccc(C(F)(F)F)cc1 611198116 XCLNOHIWLYHNGD-UHFFFAOYSA-N 428.432 4.325 5 20 IIBD C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)c1cc2c(cc1Br)OCCO2 611383556 WVORMMMQTTVFOQ-SNVBAGLBSA-N 434.246 4.121 5 20 IIBD O=C(c1ccc(O)cc1)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 613861815 HPCUCDMZBBHBTN-UHFFFAOYSA-N 437.374 4.446 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](Cn2cnc3ccccc32)C1 614235999 VBUGDTQOITUPRN-IRXDYDNUSA-N 432.484 4.468 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC(CN2CCCCCC2)CC1 618833827 YFLGOHKKSMUWMQ-UHFFFAOYSA-N 442.482 4.411 5 20 IIBD O=C(NCC1(CCOCc2ccccc2)CC1)c1ccc(Br)c([N+](=O)[O-])c1 702901986 DMMNWOPBSITGCC-UHFFFAOYSA-N 433.302 4.474 5 20 IIBD CCn1cc(Br)cc1C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 726818120 CCEAYVBEOGTUEW-SECBINFHSA-N 444.669 4.016 5 20 IIBD O=C(CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)NCCN1C(=O)CSC1=O 727754408 AJDRBFGRQKVBCZ-UHFFFAOYSA-N 444.512 4.359 5 20 IIBD O=C(COC(=O)Cc1csc(Cc2cccc(Cl)c2)n1)Nc1cccc([N+](=O)[O-])c1 728004653 OLGXVVYATNCWAO-UHFFFAOYSA-N 445.884 4.020 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N2[C@@H](C)CCC[C@H]2C)cc1 728808550 HHJZMXVFXMSUPD-IYBDPMFKSA-N 432.498 4.074 5 20 IIBD C[C@H](OC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1C(F)(F)F 728923926 WBJURMNNOHZIKM-JTQLQIEISA-N 430.766 4.380 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F 728969911 RAJMUHFGXLICLR-MRXNPFEDSA-N 436.308 4.102 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)[C@@H](NC(=O)c1ccco1)c1ccccc1 729116435 QFXYUAWLNSFICE-NRFANRHFSA-N 438.436 4.190 5 20 IIBD COc1ccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c(C(=O)NC2CC2)c1 730198337 BVNKYAYGXSQCHJ-UHFFFAOYSA-N 446.463 4.492 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 730223825 SQCQODQFKBQROM-GOSISDBHSA-N 442.274 4.320 5 20 IIBD Cc1ccc(SCC(=O)OC[C@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])c(C)c1 730706017 ULAJLYCOSMOKLN-QGZVFWFLSA-N 428.510 4.152 5 20 IIBD COc1cc(N2CCC(OC(=O)CSc3ccc(F)c(F)c3)CC2)ccc1[N+](=O)[O-] 739382508 YMXSFAQVBONHMZ-UHFFFAOYSA-N 438.452 4.186 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Oc1ccc(OCc2nc(C(C)(C)C)no2)cc1 741586667 BFRIGEJXTZPKQO-UHFFFAOYSA-N 440.456 4.140 5 20 IIBD C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 741995525 DBLBBILHHKDMJK-CYBMUJFWSA-N 436.281 4.015 5 20 IIBD C[C@@H](OC(=O)CCCOc1ccc(F)cc1F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 742974668 AVZBLPWSRLWYDA-LLVKDONJSA-N 442.802 4.256 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)C2(c3ccc(Br)cc3)CC2)cccc1[N+](=O)[O-] 744508196 SFRBEAFQLCDOHN-CYBMUJFWSA-N 447.285 4.268 5 20 IIBD C[C@H](OC(=O)C1(c2cccc(F)c2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 745040358 HSDUALOAZKQUDH-NSHDSACASA-N 440.349 4.355 5 20 IIBD CC[C@H](OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)Nc1ccc(OC)cc1 747119743 UDZRNPDKASIWDN-INIZCTEOSA-N 426.347 4.196 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1sc2c(c1C(=O)NC1CC1)CCC2 747687887 DBIMWIOMOPPRPZ-LLVKDONJSA-N 431.539 4.157 5 20 IIBD O=C(OCCn1cc([N+](=O)[O-])cn1)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1 748122604 NZMJEJLZYBCTDW-UHFFFAOYSA-N 439.815 4.019 5 20 IIBD O=C(NO[C@@H]1CCCCO1)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 749621742 CXBAVNDVTDUBRW-HSZRJFAPSA-N 439.512 4.242 5 20 IIBD CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C[C@@H](O)c1cccc([N+](=O)[O-])c1 750035279 FEBGYWOFAUPJQX-GOSISDBHSA-N 426.300 4.286 5 20 IIBD Cc1ccc([C@H](C)NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1[N+](=O)[O-] 752415857 BHMCMAOMVCOQPG-NSHDSACASA-N 427.335 4.244 5 20 IIBD CC1(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCN(C(=O)OC(C)(C)C)CC1 753357198 QKTMGMOJTKAICF-UHFFFAOYSA-N 446.548 4.306 5 20 IIBD NC(=O)c1ccc(COC(=O)/C(=C\c2ccc(F)cc2)c2cccs2)c([N+](=O)[O-])c1 753727848 QLBBBVCRUFSITL-YVLHZVERSA-N 426.425 4.178 5 20 IIBD C[C@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C(=O)Nc1ccccc1Cl 756529121 SKHSGNBMXMCGPB-JTQLQIEISA-N 441.665 4.124 5 20 IIBD Cc1cccc(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c1I 756993937 MIVVKBJIZFBEIZ-UHFFFAOYSA-N 430.629 4.091 5 20 IIBD COc1cccc(C=C2CCN(C(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)CC2)c1 760958549 HEZIKUOBGKVWTN-UHFFFAOYSA-N 425.441 4.448 5 20 IIBD O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 764271582 OWAXAWBLAOBVBX-SFHVURJKSA-N 433.574 4.003 5 20 IIBD COc1cc(COC(=O)c2ccccc2C(=O)N(C)c2ccccc2)c([N+](=O)[O-])cc1F 766159473 JYIPBXCQVVUYIB-UHFFFAOYSA-N 438.411 4.376 5 20 IIBD O=C(NC1CC(OCc2ccccc2)C1)c1cc(Br)cc([N+](=O)[O-])c1Cl 768533831 VCXYBUZBFINXCW-UHFFFAOYSA-N 439.693 4.488 5 20 IIBD Cc1cc(Br)c(F)cc1NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 770050919 QEPRANRHFWDYFS-UHFFFAOYSA-N 426.198 4.284 5 20 IIBD CCn1nccc1C(=O)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 775018327 JKMDATNLYYCJDC-GOSISDBHSA-N 428.832 4.001 5 20 IIBD O=C(C[C@@H](c1ccccc1)N1CCOC1=O)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776133542 MUJHEFZNDNIUMJ-GMAHTHKFSA-N 447.447 4.206 5 20 IIBD CSc1cccc(C(=O)OCc2nc(O)c3ccc(C(F)(F)F)cc3n2)c1[N+](=O)[O-] 777073936 OPSHBEZFJFUQFF-UHFFFAOYSA-N 439.371 4.341 5 20 IIBD O=C(OCc1nc(-c2ccccc2F)no1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 781173382 JWBLVUBVCVKDPO-UHFFFAOYSA-N 426.385 4.264 5 20 IIBD CC(C)(C)CN1CCC[C@@H](OC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1=O 781258228 YSYJYOKUFMQUBB-LJQANCHMSA-N 442.462 4.153 5 20 IIBD C[C@@H](OC(=O)c1cc(-c2cnn(C)c2)ccc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 782411573 LZJVGSQFOXOXEK-GFCCVEGCSA-N 437.387 4.102 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 790568762 QTVXTYCVFFEKKC-GFCCVEGCSA-N 445.800 4.344 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@]2(CCN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)C1 793606500 VZASNUFRMCQKAD-FQEVSTJZSA-N 427.448 4.029 5 20 IIBD Cc1cc(S(=O)(=O)Nc2cccc3cc(Br)cnc23)cc([N+](=O)[O-])c1F 795366245 ICXXQQRZMKDMCY-UHFFFAOYSA-N 440.250 4.154 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3ccc4sc(C)nc4c3)CC2)ccc1[N+](=O)[O-] 797643639 YOYWRZPXRATRRZ-UHFFFAOYSA-N 441.513 4.266 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Br)N1CCOC[C@H]1c1nc2ccccc2s1 800235250 IDJRCKUPPYFAET-HNNXBMFYSA-N 448.298 4.181 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)CCSc2cccc(Cl)c2)c([N+](=O)[O-])c1 808702660 KWZBPTIEJDXWCH-GFCCVEGCSA-N 438.889 4.309 5 20 IIBD COc1ccc([C@H]2CCCN2S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)cc1 809387601 IRWHOGSAANDKSW-CQSZACIVSA-N 431.297 4.436 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@@]2(CCc3ccccc3O2)C1 809882797 AHXBUKKDAHQJNW-IBGZPJMESA-N 432.274 4.359 5 20 IIBD COCC1(c2noc(-c3cc([N+](=O)[O-])ccc3I)n2)CCCCC1 810327153 BRYYCKFSZHFUKO-UHFFFAOYSA-N 443.241 4.098 5 20 IIBD COc1ccccc1[C@@H](C)NC(=O)[C@H](C)OC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811375247 WVKOIOWJRBHGOD-MNOVXSKESA-N 441.267 4.333 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N(CC2CC2)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 811719585 JVSGBHRCZZNNKL-UHFFFAOYSA-N 445.375 4.127 5 20 IIBD C[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N2CCCOC2=O)cc1 814353491 VDBQHOSZJDYSJM-CQSZACIVSA-N 447.875 4.241 5 20 IIBD CCc1csc(-n2cc(C(=O)OCc3cc([N+](=O)[O-])ccc3C(F)(F)F)cn2)n1 815223548 VGJBFVNADLCFTK-UHFFFAOYSA-N 426.376 4.175 5 20 IIBD C[C@H](C(=O)O[C@@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O)c1ccc([N+](=O)[O-])cc1F 816404610 YSUXVKUSVLJAAS-PJSUUKDQSA-N 432.423 4.272 5 20 IIBD CN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccc(C(N)=O)cc1 917858807 SIENRPJJIKQKDC-UHFFFAOYSA-N 425.828 4.416 5 20 IIBD C[C@H](OC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1cccc([N+](=O)[O-])c1 919383356 TWSCLOWONWHEPT-INIZCTEOSA-N 425.462 4.487 5 20 IIBD C[C@@H](c1ccc(Cl)cc1)N(CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)C1CC1 920305765 OZLHUPYVXAZKBK-FPTDNZKUSA-N 442.903 4.198 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CNCc2cccnc2N2CCOCC2)o1 1116017703 WVYIQBBZYMPSRN-UHFFFAOYSA-N 428.876 4.030 5 20 IIBD Cc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2N)c(OCC(F)(F)F)c1 1116935071 NNLLNWNNKUIACA-UHFFFAOYSA-N 448.195 4.441 5 20 IIBD CCCn1nc(-c2nnc(Cc3ccc([N+](=O)[O-])cc3Cl)o2)c2ccccc2c1=O 1118125575 UIOJSFZFBUZWEU-UHFFFAOYSA-N 425.832 4.009 5 20 IIBD C[C@H](OC(=O)c1ccccc1NC(=O)c1cccs1)C(=O)Nc1ccccc1[N+](=O)[O-] 1317772517 REEKAAWPKNMNAA-ZDUSSCGKSA-N 439.449 4.093 5 20 IIBD COc1ccccc1-c1nnc(CSc2nc3cc4ccccc4cc3c(=O)n2C)o1 1319079499 LQMCIPUGOYDUOR-UHFFFAOYSA-N 430.489 4.438 5 20 IIBD CCCCCn1nc(-c2nnc(Cc3ccc(OC)c([N+](=O)[O-])c3)o2)c2ccccc2c1=O 1322101578 YLICQMUVGRHSLN-UHFFFAOYSA-N 449.467 4.144 5 20 IIBD COc1cc(Cl)ccc1-c1nnc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)o1 1322488705 KASCXLKPDVNKDQ-LBPRGKRZSA-N 434.861 4.346 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3nnc(-c4ccncc4)s3)cc2[N+](=O)[O-])C1 1324057425 HPTLLRFVIAGMGD-OKILXGFUSA-N 438.513 4.243 5 20 IIBD Cc1c(I)cccc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F 1325315252 DJRJFTSGCXCTRE-VIFPVBQESA-N 428.201 4.389 5 20 IIBD C[C@H](C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc(F)cc1F 1330239578 VZCWVZZWGIXERL-VIFPVBQESA-N 432.301 4.177 5 20 IIBD Cc1cc(Cl)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)c2cccnc12 1338038040 QTSHAOOGFFDYCQ-UHFFFAOYSA-N 428.857 4.454 5 20 IIBD O=C(c1cc(Br)cc(Br)c1O)N1CCc2c1cccc2[N+](=O)[O-] 1346621979 XGARCYRSBKQGGS-UHFFFAOYSA-N 442.063 4.028 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@H]3C[C@H]3C3CC3)cc2)CCC1)c1cc(O)cc([N+](=O)[O-])c1 1786057562 VRYGALADFQMOHU-SFTDATJTSA-N 435.480 4.094 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cc(C)c([N+](=O)[O-])cn4)cc3)CCC2)ccn1 1788766853 JMZJSULFTWTQAV-UHFFFAOYSA-N 445.479 4.063 5 20 IIBD Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccncc4)CCC3)cc2)cc1[N+](=O)[O-] 1790526047 JMTZTEKECCRESB-UHFFFAOYSA-N 444.491 4.289 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]3C3CC3)CCC2)cc1 1790806910 FKSCLMJECFAIBC-UXHICEINSA-N 449.507 4.403 5 20 IIBD Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2cccs2)cc(Cl)cc1[N+](=O)[O-] 1796264103 ASGVKHASILUIRX-MUJYYYPQSA-N 447.944 4.113 5 20 IIBD Cc1cccc(F)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C2 1803506442 MAXOBWQPNAWSCV-UNGCYLFBSA-N 437.471 4.008 5 20 IIBD CC(C)C1(C(=O)N2CCC3(CCCN(C(=O)Cc4cccc([N+](=O)[O-])c4)C3)CC2)CCC1 1804752838 HXWQGQLMEBCQOQ-UHFFFAOYSA-N 441.572 4.195 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)[nH]n1)c1ccsc1 1816357533 GFATXRAJLYNAHZ-QGZVFWFLSA-N 443.460 4.138 5 20 IIBD Cc1ccsc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823612298 VPPXQKUPZSHIBC-INIZCTEOSA-N 431.514 4.105 5 20 IIBD Cc1c(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C3)oc2ccccc12 1843687221 MVFNUUHCBYFYSG-VAWYXSNFSA-N 445.475 4.180 5 20 IIBD C[C@@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(Cl)cc1 1847409404 XHVHIEQEKIGHPC-VMDGZTHMSA-N 445.878 4.006 5 20 IIBD Cc1cc(CCCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H]2CCC[C@H]2C)c([N+](=O)[O-])cc1F 1847713879 DHFOOUKVDHBFQU-KYPFXXDHSA-N 445.535 4.003 5 20 IIBD O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 10414783 XLVPUSZLTVQULE-UHFFFAOYSA-N 431.857 4.324 5 20 IIBD Cc1nc(Cc2nnc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)o2)cs1 11104061 VQRDDAXIMFCRMX-QMMMGPOBSA-N 439.906 4.106 5 20 IIBD O=C(NCCc1cn2ccccc2n1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 11534602 LFGGULDEXRCMPW-UHFFFAOYSA-N 449.898 4.481 5 20 IIBD Cc1sc2ncn(CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)c(=O)c2c1-c1ccccc1 11659336 ILFGDWBRZPSZHP-UHFFFAOYSA-N 434.477 4.005 5 20 IIBD Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3ccc([N+](=O)[O-])s3)cc2)cc1C 14700331 SDRLEMGIGMFDEE-UHFFFAOYSA-N 446.506 4.317 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O 15629640 XUBNRHQEIOMEOK-UHFFFAOYSA-N 426.479 4.042 5 20 IIBD CCCOc1c(Cl)cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1OC 15924270 WOKYMJQCKHMGDI-UHFFFAOYSA-N 433.892 4.008 5 20 IIBD COC(=O)c1ccc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c([N+](=O)[O-])c1 22222735 JKQWWDAWZFKDCL-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD Cc1sc2ncnc(N3CCC(C(=O)Nc4cccc([N+](=O)[O-])c4C)CC3)c2c1C 22398839 QLHBBZBGMKDOMD-UHFFFAOYSA-N 425.514 4.380 5 20 IIBD CC(=O)Nc1cccc(NC(=O)[C@@H](C)Sc2nc3cc4ccccc4cc3c(=O)n2C)c1 26580882 ZDEQODHOULIAKW-CQSZACIVSA-N 446.532 4.164 5 20 IIBD CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1cc([N+](=O)[O-])cn1C 29435437 IBFFNJRBGQKNLI-UHFFFAOYSA-N 429.498 4.245 5 20 IIBD CN(Cc1csc(Br)c1)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 42307217 FHJKIIPSWRYVND-UHFFFAOYSA-N 434.109 4.454 5 20 IIBD COc1ccc(CSCC(=O)NCCc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] 105972053 ZTYAOWLNLZGPCG-UHFFFAOYSA-N 428.432 4.214 5 20 IIBD COc1ccc(CSCC(=O)N2CCn3cccc3[C@@H]2c2ccccc2)cc1[N+](=O)[O-] 105983693 FJEXDGJOXYYCME-QHCPKHFHSA-N 437.521 4.270 5 20 IIBD C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)c1cccc([N+](=O)[O-])c1 108282262 INJJXIFTOKEZJY-KPZWWZAWSA-N 436.295 4.384 5 20 IIBD O=C(Nc1ccccc1)c1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 110067009 AANOXRICZQRZRE-UHFFFAOYSA-N 445.479 4.201 5 20 IIBD COc1c(C)cc(CN(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1C 110296578 MZJOTYJHSKFXHJ-UHFFFAOYSA-N 436.306 4.053 5 20 IIBD Cc1cc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)n(-c2ccccn2)n1 216739160 GQHPJHNCPGHNSK-HOTGVXAUSA-N 434.500 4.219 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(Nc2ccc(N3CCSCC3)c(Cl)c2)s1 302184233 OWPAXXXAPYLLQJ-UHFFFAOYSA-N 433.964 4.010 5 20 IIBD C[C@H](c1ccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1)N1CCOCC1 303571937 YTNXNCCYWDQPSI-OAHLLOKOSA-N 438.509 4.364 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC(c3ccc(Br)cc3)CC2)s1 409639885 RCGUBGOWZSARHQ-UHFFFAOYSA-N 445.360 4.206 5 20 IIBD CN(CCOc1ccccc1Cl)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 426261005 NDHLPPQYPOYCFR-UHFFFAOYSA-N 431.798 4.487 5 20 IIBD Cc1ccc([C@H](C)NC(=O)Nc2ccc(CS(=O)(=O)C(C)(C)C)cc2)cc1[N+](=O)[O-] 429079789 JEVINQRLXURBAB-HNNXBMFYSA-N 433.530 4.499 5 20 IIBD O=C(Nc1cc(Cl)ccc1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccco1 433694864 QTDMMZLIDVRBRD-QGZVFWFLSA-N 440.843 4.311 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2)c1cccc([N+](=O)[O-])c1 434941368 CNMDXUGBHGLBOP-JSGCOSHPSA-N 430.530 4.018 5 20 IIBD COc1cccc(C(=O)NC[C@@H](c2ccccc2)N2CCc3sccc3C2)c1[N+](=O)[O-] 435549530 VEWCYZPSHMTQPP-IBGZPJMESA-N 437.521 4.194 5 20 IIBD Cc1nc(-c2ccccc2)sc1NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 437032308 KOXGZYUQGXAFKO-UHFFFAOYSA-N 436.493 4.156 5 20 IIBD O=C(NCCOc1cccc(Br)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 438005487 YSTRHPUUCHNTEH-UHFFFAOYSA-N 434.290 4.110 5 20 IIBD COc1ccc(NC(=O)C(=O)N(Cc2ccccc2F)C2CCCCC2)cc1[N+](=O)[O-] 439620759 LCKWQAVJGSOABD-UHFFFAOYSA-N 429.448 4.043 5 20 IIBD O=C(NCc1ccncc1OCC(F)F)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 441146099 ZZRXTBFOFCHSCO-UHFFFAOYSA-N 442.422 4.176 5 20 IIBD CN(C(=O)c1ccc(Cl)cc1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 442342574 SZYLVRVTFJAKNT-UHFFFAOYSA-N 445.884 4.326 5 20 IIBD O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(-n2ncc3ccccc32)cc1Cl 444329522 KOPWPRLZTGEHJT-UHFFFAOYSA-N 432.827 4.716 5 20 IIBD C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)c1nc(C(C)(C)C)cs1 447037946 MGZXRMCOWRSMIA-VIFPVBQESA-N 448.364 4.151 5 20 IIBD CCN(C(=O)c1cc(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])ccc1Cl)C(C)C 447256889 MHLRUAXPJLJWBK-UHFFFAOYSA-N 443.884 4.059 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC1(c2ccc(Br)cc2)CCC1 447340212 JUQUZAMUXNOJPM-UHFFFAOYSA-N 446.301 4.108 5 20 IIBD CO[C@@H](CNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)c1ccc(Cl)cc1 460326545 JNEUDUANEJOLGY-FQEVSTJZSA-N 442.903 4.227 5 20 IIBD CCC(CC)c1cc(CNC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)on1 460339056 LTXHUSYLUBBRRY-UHFFFAOYSA-N 425.489 4.278 5 20 IIBD O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 461338150 GBPHMWBRUWTMQJ-HHXXYDBFSA-N 443.525 4.094 5 20 IIBD CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3c3cccnc23)nc1 462621433 HSIVHYVQVSLWRS-UHFFFAOYSA-N 434.521 4.112 5 20 IIBD C[C@H](C(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1)C(F)(F)F 463134370 JJGBCFWXJFDAHO-CYBMUJFWSA-N 427.448 4.166 5 20 IIBD Cc1cc(C)n(-c2ccc(CCNC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)n1 463375693 HUFFWHQKFICPTM-UHFFFAOYSA-N 432.402 4.389 5 20 IIBD O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N(CCO)Cc1cccnc1 467927357 QCMONJQUDNRGMR-UHFFFAOYSA-N 443.912 4.429 5 20 IIBD C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCc1ccc(S(=O)(=O)N2CCCCC2)s1 468629222 HVSOSPSMIDTRDM-SAPNQHFASA-N 449.598 4.067 5 20 IIBD Cc1csc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1I 468947406 KZXPMDNOCAVYGH-UHFFFAOYSA-N 430.267 4.234 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 470122208 LYYQKWJKUKFTTA-OAHLLOKOSA-N 447.278 4.381 5 20 IIBD COc1ccc2oc([C@H](C)Nc3ccc(S(=O)(=O)N(C)C)cc3[N+](=O)[O-])c(C)c2c1 477099397 KLIHDPLSACGNGJ-ZDUSSCGKSA-N 433.486 4.081 5 20 IIBD CCOc1cc(C(=O)N2CCC(CCN3CCCC[C@H]3C)CC2)c([N+](=O)[O-])cc1OC 478347376 TYNVHNPLHPXLQZ-QGZVFWFLSA-N 433.549 4.119 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(C(F)(F)F)cc1 479348899 NTZCUETWXAALFR-OAHLLOKOSA-N 430.766 4.301 5 20 IIBD CCCCc1ccc([C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)c2cccs2)cc1 479419974 ITBKVECPMWICTL-JOCHJYFZSA-N 425.510 4.066 5 20 IIBD COc1cc(C(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)cc([N+](=O)[O-])c1C 480553679 LRQNLVMBAINVEV-INIZCTEOSA-N 427.505 4.097 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCc2c(ncn2-c2ccccc2)C1 481255907 JADYCEBUEWYXFD-UHFFFAOYSA-N 431.374 4.390 5 20 IIBD O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 482054994 TWOPWEHBWMARGS-UHFFFAOYSA-N 434.481 4.243 5 20 IIBD CC1(C)C[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c2ccc(F)cc2O1 482323260 YZGFNSKWPAJQDQ-GOSISDBHSA-N 427.476 4.369 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN[C@H](CO)c3ccccc3OC(F)(F)F)o2)c1 483083413 LIDURNXRZRHQAD-MRXNPFEDSA-N 437.374 4.014 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3cc(C(N)=O)ccc3F)cc2[N+](=O)[O-])n1 483248679 WYXPBPANCAXYHQ-UHFFFAOYSA-N 432.458 4.001 5 20 IIBD C[C@H](N[C@@H]1CCCc2c(O)cccc21)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 484315363 YISYORKGAXGAIT-SCLBCKFNSA-N 438.509 4.418 5 20 IIBD O=C(N[C@H](C(=O)O)c1ccc(Br)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 485211661 OCHDTFHTEADSGU-HNNXBMFYSA-N 435.255 4.128 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CSc1nnc(C2CC2)n1-c1cccc(NC(C)=O)c1 485388715 XPHBSDUCUWPTFZ-UHFFFAOYSA-N 439.497 4.312 5 20 IIBD O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(c3nnc(C(F)(F)F)s3)CC2)o1 485696724 RIISTZREROACEO-UHFFFAOYSA-N 439.419 4.047 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCc2ccc(Br)cc21 487518771 XPQORPIOQRUWAO-JTQLQIEISA-N 425.666 4.367 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc(-c2ccco2)cc1F 487557894 KUIQYWUBQJAMTO-UHFFFAOYSA-N 425.372 4.321 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CCS(C)(=O)=O)cc1 489365777 ZUMCVPGSFNYIQK-UHFFFAOYSA-N 436.555 4.182 5 20 IIBD COc1cc(CN[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])cc1OC(F)F 493926276 OBTVJBFDVXFLIM-KDOFPFPSSA-N 430.354 4.103 5 20 IIBD COCCN(C(=O)COc1ccccc1[N+](=O)[O-])[C@@H](C)c1cccc(C(F)(F)F)c1 500324860 RNQXIHUGUWJRJF-AWEZNQCLSA-N 426.391 4.229 5 20 IIBD C[C@H](c1ccccc1Br)N(C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 503676595 KZQROEBQIBNRPB-CYBMUJFWSA-N 429.274 4.376 5 20 IIBD COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 505505956 LBNCFPRZUNFALB-UHFFFAOYSA-N 448.435 4.173 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCN[C@@H](c3cccc(F)c3)C2)cc1[N+](=O)[O-])c1ccccn1 505542014 DWEDONZYBBWRIL-KSFYIVLOSA-N 449.486 4.089 5 20 IIBD O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1 505754198 FDMZFGQVDQYMKQ-UHFFFAOYSA-N 436.468 4.408 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1[N+](=O)[O-])c1ccccn1 505992113 PDIVCWOQFNTARO-JTSKRJEESA-N 449.511 4.323 5 20 IIBD CC(C)c1nccn1Cc1cccc(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 509890849 OTMNEZRHCYGWOT-UHFFFAOYSA-N 448.527 4.317 5 20 IIBD CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1 510024022 PHAHPYKQNLBBLG-NSHDSACASA-N 434.290 4.446 5 20 IIBD COc1ccc(C)cc1C1(CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CCOCC1 510514201 LNVFHWNXWBNGAI-QGZVFWFLSA-N 427.501 4.020 5 20 IIBD O=C(N[C@H]1CC[C@H](O)CC1)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 512636030 WBMGFBDNQLSOIJ-HDJSIYSDSA-N 429.523 4.389 5 20 IIBD C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1 515697035 LIGBIPBKQGWWGD-MRXNPFEDSA-N 433.468 4.047 5 20 IIBD COc1cc(C(=O)NCCCn2ccnc2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 515938366 CMDOSMUPYRQCHY-UHFFFAOYSA-N 444.875 4.374 5 20 IIBD Cc1ccc(F)c2c1CCCN2C(=O)c1ccc([N+](=O)[O-])cc1I 518311415 UKEABSLCWKLNLH-UHFFFAOYSA-N 440.212 4.240 5 20 IIBD O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(c3nnc(C(F)F)s3)CC2)s1 518824196 MSFSUIYBMKZCBO-UHFFFAOYSA-N 437.497 4.435 5 20 IIBD O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 520504290 PAOYXHUMOIZONS-UHFFFAOYSA-N 438.831 4.055 5 20 IIBD O=C(NCc1cccnc1Oc1cccc(F)c1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 521070621 XWVATKULZTZGRX-UHFFFAOYSA-N 434.383 4.105 5 20 IIBD COCCN([C@@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 521155549 CGMNNNMQEWSGKE-AWEZNQCLSA-N 446.447 4.320 5 20 IIBD COc1ccnc(N2CCN(C(=O)c3ccc(SCCC(C)C)c([N+](=O)[O-])c3)CC2)c1 521505500 RFEZWQHZWILGGW-UHFFFAOYSA-N 444.557 4.099 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1 523402453 QPSJCOHBFUQCJD-UHFFFAOYSA-N 442.449 4.052 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@H]2c2ccc(Br)cc2)cc1 531206074 HKJRFLFUOOXJIB-KRWDZBQOSA-N 425.304 4.024 5 20 IIBD O=C(O)C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 532259810 DCUNICMEZWDHQD-CYBMUJFWSA-N 432.738 4.093 5 20 IIBD CNC(=O)c1cccc(NCc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)c1C 532891052 KMGBTAANAVEQID-UHFFFAOYSA-N 435.480 4.463 5 20 IIBD C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CC=C(C(F)(F)F)CC1 533835991 PSMICJVFJROADN-LLVKDONJSA-N 426.420 4.240 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 537094022 LBNGEQIMXRZFCZ-GOSISDBHSA-N 429.498 4.465 5 20 IIBD Cc1ccc([C@@H](C)NCC(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] 537178578 OZPHGHKLLAJLMR-ZIAGYGMSSA-N 425.407 4.330 5 20 IIBD O=C(NC1CCCCC1)N1CCC(N[C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 537974503 FKZBZWSVUFNPKR-XMSQKQJNSA-N 428.577 4.402 5 20 IIBD CCOc1ccc(C2(CNC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)CCOCC2)cc1 542539190 HKEPHZFVIGXSNJ-INIZCTEOSA-N 430.476 4.101 5 20 IIBD CC(C)(C)Oc1c(F)cc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1F 542957820 USOUOLULJZWESN-UHFFFAOYSA-N 434.443 4.404 5 20 IIBD C[C@H](C[S@@](C)=O)NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 543368198 ZBWVSYZFVYZIDI-CHHYTFJOSA-N 443.550 4.018 5 20 IIBD CCc1ccc([C@@H](COC)N[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)o1 543484999 IKUWZFLEHVYNCN-SUMWQHHRSA-N 444.513 4.178 5 20 IIBD Cc1sc2nc(Cc3noc([C@H](C)c4ccc([N+](=O)[O-])cc4F)n3)nc(O)c2c1C 545533268 QJDLGFGTARILMO-SECBINFHSA-N 429.433 4.187 5 20 IIBD CSc1ncc(Cl)c(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)n1 545738336 PKZMXSVZWUVUHH-UHFFFAOYSA-N 442.682 4.163 5 20 IIBD COC(=O)CCN(C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccccc1C 546527562 WLBYVCVJHUIPCL-UHFFFAOYSA-N 440.374 4.054 5 20 IIBD O=[N+]([O-])c1ccccc1-n1ccc(-c2nc(-c3ccc(Oc4ncccn4)cc3)no2)n1 547039807 CADQMCKJDOYCCK-UHFFFAOYSA-N 427.380 4.080 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1noc(-c2cc(F)c(F)cc2Br)n1 547082573 HXKKSVWQCBEXEF-UHFFFAOYSA-N 425.189 4.340 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3ccnc(OCC(F)F)c3)no2)c(Br)c1 547256750 XCDDXEQSMXRXSB-UHFFFAOYSA-N 427.161 4.113 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 553110879 QBOZRMBOXLXMHI-KBXCAEBGSA-N 446.529 4.106 5 20 IIBD COc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2I)c(C)c1C 554081203 YCSOIIXGBUPLFT-UHFFFAOYSA-N 440.237 4.386 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Br)sc1Cl 555126979 JXGCHORLKGEKIO-UHFFFAOYSA-N 425.713 4.435 5 20 IIBD CSC[C@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)C1 561904097 IRYQWSUJLKWIIV-INIZCTEOSA-N 441.553 4.107 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cnn(-c3ccc(Cl)cc3)c2C)cc([N+](=O)[O-])c1 566017095 ZHRNKGHFJUFDIX-UHFFFAOYSA-N 428.832 4.171 5 20 IIBD O=C(Nc1cccc2c1CNC2=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 567071617 LHIQJDVCCFGHRC-UHFFFAOYSA-N 436.855 4.356 5 20 IIBD C[C@@]1(c2ccc(Br)cc2)CC(=O)N(Cc2ccc([N+](=O)[O-])cc2Cl)C1=O 569957692 JQDLEMQFMOCBOW-SFHVURJKSA-N 437.677 4.228 5 20 IIBD O=C(NC[C@@H](c1ccccc1)C1CC1)c1ccc([N+](=O)[O-])cc1I 581447219 IZPBODDLOCRIRK-INIZCTEOSA-N 436.249 4.123 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(N(C(C)=O)[C@@H]3C[C@H]3C)cc2)cc1[N+](=O)[O-] 584134145 ZFOHEKXKUPYQKE-AUUYWEPGSA-N 443.525 4.237 5 20 IIBD O=C(Nc1c2c(nn1-c1ccccc1)CCC2)C1CCN(c2ccccc2[N+](=O)[O-])CC1 585721297 PYWHLUUGLNQHIG-UHFFFAOYSA-N 431.496 4.124 5 20 IIBD COc1c(-c2nc(-c3ccc(N4CCCN(C)CC4)c(Cl)c3)no2)cccc1[N+](=O)[O-] 589132453 SCLAWFURRRSGHS-UHFFFAOYSA-N 443.891 4.116 5 20 IIBD CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 603529100 JCVRLKZZBVRRTF-UHFFFAOYSA-N 433.390 4.245 5 20 IIBD Cc1ncc2c(n1)CCN([C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C2 603661949 UOUMAWREQHCARF-NRFANRHFSA-N 437.887 4.085 5 20 IIBD Cc1ccc(-c2noc([C@H](C)N3CCN(c4ccc5ncccc5c4[N+](=O)[O-])CC3)n2)cc1 603849537 CKAAKCZZKZJWHT-KRWDZBQOSA-N 444.495 4.385 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(NC(=O)c2ccncc2)c1 604022230 NQAOJUMSBVHIRE-OAHLLOKOSA-N 436.493 4.039 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 608800751 DELZWGYYHHMTOB-HNNXBMFYSA-N 442.859 4.083 5 20 IIBD O=C(Cc1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)cc1)Nc1ccccc1F 609073716 TXILSOLLBKFRFV-UHFFFAOYSA-N 433.399 4.044 5 20 IIBD CCOCCOc1ccc(Cl)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 609107069 VXPFWVJXIGMKFU-UHFFFAOYSA-N 435.285 4.118 5 20 IIBD CCc1cc(=Nc2ccc(OCc3noc(C)n3)cc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 609384470 XEAMQTQFIQRTSR-UHFFFAOYSA-N 432.440 4.050 5 20 IIBD COc1ccc(CCN(CC(C)(C)C)C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 609690909 KJOLTRLHKMHJSU-UHFFFAOYSA-N 447.919 4.313 5 20 IIBD Cc1cc(=O)c(C(=O)N[C@H](C)c2cccc(Cl)c2Cl)nn1-c1ccccc1[N+](=O)[O-] 609796451 SDTZYDVZSKKTTH-GFCCVEGCSA-N 447.278 4.247 5 20 IIBD O=C(c1cccc(COc2cccc(F)c2)c1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 609883160 IFAOLEYYOIBJQS-LJQANCHMSA-N 436.443 4.035 5 20 IIBD CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H](C)c1ccccc1 609958489 WZRAVASSPYISNU-NVXWUHKLSA-N 446.935 4.068 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(CC(=O)OC(C)(C)C)c2)cc1SC 610307010 REKJVRURKHGLPJ-UHFFFAOYSA-N 432.498 4.462 5 20 IIBD CNc1ccc(C(=O)N[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)cc1[N+](=O)[O-] 610927183 OEJZJRJSKXLMOQ-IBGZPJMESA-N 447.417 4.472 5 20 IIBD Cc1ccc(NCCCNC(=O)N2CCC(OCc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 611263012 QGDHATAGAFDVBW-UHFFFAOYSA-N 444.507 4.235 5 20 IIBD Cc1c(NC(=O)[C@H](C)N[C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)cccc1[N+](=O)[O-] 612051710 JSMLLJYUPOYKNR-DEXHYYOUSA-N 436.556 4.121 5 20 IIBD C[C@@H](CC(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1F 726840743 FSDJUYGCSRBXIK-NSHDSACASA-N 428.338 4.428 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cccc(CC[C@@H](O)c3ccccc3)c2)cc1[N+](=O)[O-] 727362381 MBCZIRWBHWRCPK-OAQYLSRUSA-N 442.493 4.070 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(Cc3cnc(-c4ccccc4)nc3)CC2)c(C(F)(F)F)c1 727437627 VCZNIIYNMVZGMO-UHFFFAOYSA-N 443.429 4.393 5 20 IIBD COc1ccc(-n2c(COC(=O)Cc3ccc(OC)c([N+](=O)[O-])c3)nc3ccccc32)cc1 727882445 HIVIKYMBRJXPKB-UHFFFAOYSA-N 447.447 4.237 5 20 IIBD COc1ccc(-c2nc(COC(=O)Cc3ccc(OC)c([N+](=O)[O-])c3)cs2)c(OC)c1 727885312 CHZFQUTWWYIUGV-UHFFFAOYSA-N 444.465 4.030 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 729034471 NGPRPPMCMRXBCI-UHFFFAOYSA-N 427.429 4.034 5 20 IIBD Cc1nc2ccc(NC(=O)c3ccc(I)c([N+](=O)[O-])c3)cc2s1 729258199 IGDIOXITEFERAF-UHFFFAOYSA-N 439.234 4.370 5 20 IIBD Cc1cc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)c2ccc(Br)cc2n1 731713972 PKSPPHNGZXDEQU-UHFFFAOYSA-N 429.226 4.254 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cccc(CN(C)C(=O)OC(C)(C)C)c1 737028701 RVSWJCXLBNIDJT-UHFFFAOYSA-N 444.488 4.292 5 20 IIBD C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2Br)CCN1Cc1ccccc1 737680684 WAJZEPYGAZRBQI-NVXWUHKLSA-N 446.345 4.482 5 20 IIBD O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2c(=O)n3c(nc2c1)CCCCC3 741439955 LMMIHVNCSDBRIO-UHFFFAOYSA-N 427.844 4.042 5 20 IIBD CC(C)(C)Cc1nc(-c2cccc(C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)c2)no1 741553843 CDIQZVNBXNWYDR-UHFFFAOYSA-N 438.440 4.029 5 20 IIBD Cc1nc(COC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)sc1C 744255118 XTHDJHUSJLHSGZ-UHFFFAOYSA-N 439.493 4.322 5 20 IIBD NC(=O)c1c(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])sc2c1CCCCC2 744352203 VELBQRZOJYFJDA-UHFFFAOYSA-N 427.404 4.295 5 20 IIBD C[C@H](OC(=O)c1ccccc1NC(=O)C(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 745016012 IONLEIIZHYOBQT-LBPRGKRZSA-N 447.875 4.417 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)cccc1[N+](=O)[O-] 745499790 KOPQOHWQOGCPQX-CYBMUJFWSA-N 445.447 4.211 5 20 IIBD O=C(COC(=O)c1cc(OCc2ccccc2)ccn1)Nc1ccc([N+](=O)[O-])cc1Cl 745647910 SJWXHMOLLYMKNW-UHFFFAOYSA-N 441.827 4.018 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1 749146286 ONGWUAZVOMTGEN-ZROIWOOFSA-N 427.460 4.379 5 20 IIBD COc1ccc(OCCCOC(=O)c2cc([N+](=O)[O-])c(Br)cc2F)cc1 751692195 MRWFIFBTGLPOOM-UHFFFAOYSA-N 428.210 4.131 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccc(F)cn1 751829185 DVWPYLBIRKMUAT-SFHVURJKSA-N 429.791 4.319 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCCN(C(=O)Oc2ccccc2)CC1 751876763 QTJGJTBRDHNLLF-UHFFFAOYSA-N 449.916 4.074 5 20 IIBD Cc1cc(N2C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 751947634 RGFUKXMKUVDSKV-JKSUJKDBSA-N 427.505 4.100 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1-c1nc([C@H](CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)no1 752853427 IHFGQSAGTBTUMA-HNNXBMFYSA-N 448.476 4.251 5 20 IIBD CC(C)(C)O[C@@H](C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 754533730 JRTXERVRWBIMGV-GHTZIAJQSA-N 440.496 4.299 5 20 IIBD O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cc(F)cc([N+](=O)[O-])c1Br 754639409 GEOHPEXJAOLZNW-AWEZNQCLSA-N 442.310 4.125 5 20 IIBD Cc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)n(-c2ccc(F)cc2)n1 754994887 CIKSMPDSTUVAAG-UHFFFAOYSA-N 437.200 4.382 5 20 IIBD Cc1ccc(N(Cc2nccc(C)n2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 755803581 FYDICAZPPPWGGE-UHFFFAOYSA-N 446.916 4.359 5 20 IIBD Cc1nc(SCC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)[nH]c1Cc1ccccc1 756993155 ODMODPRVBUQUPS-UHFFFAOYSA-N 430.917 4.279 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)OCc1coc(-c2ccc(Br)cc2)n1 758073902 DPJJAPASKSVTSV-UHFFFAOYSA-N 436.193 4.091 5 20 IIBD CC(C)(C)[C@H](NC(=O)COC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccs1 758737560 OAHXUVVOKYEYRN-HXUWFJFHSA-N 429.498 4.127 5 20 IIBD COc1cc(C(=O)Oc2c(C)cccc2[N+](=O)[O-])c([N+](=O)[O-])cc1OCc1cscn1 760023035 ROWNNLBZPLFMBR-UHFFFAOYSA-N 445.409 4.075 5 20 IIBD O=C(C[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Nc1ccc2ccccc2c1 760223288 JHWOBBFQUXMBCM-HKBQPEDESA-N 435.461 4.290 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1ccc(C)c(Cl)c1 763808869 BOWGOSDHLWYBSY-UHFFFAOYSA-N 438.889 4.091 5 20 IIBD C[C@@H](CC(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 764057648 PQIAFSRLDSAUQC-GJZGRUSLSA-N 447.488 4.453 5 20 IIBD CC(C)N(Cc1ncc(-c2ccc3c(c2)OCO3)[nH]1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 764236503 HPCLHUSCUIOZRB-UHFFFAOYSA-N 442.859 4.418 5 20 IIBD C[C@H]1[C@H](C(F)(F)F)OC(=O)N1c1ncccc1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 764308009 WRDPIXDYSIXXGW-ISVAXAHUSA-N 444.753 4.172 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(O)(c3ccccc3C(F)(F)F)CC2)c1 765103353 OLYTZUPTVWOBKG-UHFFFAOYSA-N 440.443 4.459 5 20 IIBD CC(=O)[C@H](Cc1ccc(F)c(F)c1F)OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 768738666 LAKWFASEGCPMSY-AWEZNQCLSA-N 435.276 4.388 5 20 IIBD CC[C@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C 769484620 KZXVTTJZNBQNID-BBRMVZONSA-N 442.354 4.483 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)c1cc([N+](=O)[O-])c2nsnc2c1 771504338 RZEINOGDTTYBJS-GFCCVEGCSA-N 434.861 4.063 5 20 IIBD COc1cc(Cc2noc(-c3cc4cc(OC)ccc4nc3C)n2)c([N+](=O)[O-])c(OC)c1 771745953 DJSAGLRTJRFZDA-UHFFFAOYSA-N 436.424 4.118 5 20 IIBD CC(C)c1nnc(CCC(=O)O[C@@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])o1 774374680 NBEHSBUPMBLQQX-INIZCTEOSA-N 440.294 4.228 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCc1nc(-c2ccccc2Cl)cs1 774954514 ZYLKJJOHZMRVMF-UHFFFAOYSA-N 445.840 4.023 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 775537978 YIAFZROLFNDAPC-RHSMWYFYSA-N 437.562 4.471 5 20 IIBD C[C@@H](OC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(F)(F)F 778168534 AZILLJVJHPMPIN-SNVBAGLBSA-N 432.301 4.276 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2cc3c(cc2F)NC(=O)CC3)CC1 778218241 FMAYYYMGOHPSMU-UHFFFAOYSA-N 426.448 4.107 5 20 IIBD O=C(c1cc([N+](=O)[O-])c2nsnc2c1)N1CCC[C@H](c2nc3ccccc3s2)C1 778219256 AITYIWXVEKKAQF-NSHDSACASA-N 425.495 4.229 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2c[nH]cc2-c2ccc(C)s2)c([N+](=O)[O-])c1 778434180 QELDCJOPFDNOKL-UHFFFAOYSA-N 429.454 4.154 5 20 IIBD O=C(NC[C@H](O)c1ccc(Cl)c(F)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 780973270 ZFETVOHQRAYRLM-IBGZPJMESA-N 446.812 4.215 5 20 IIBD Cc1cccc(NC(=O)[C@H](C)OC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 781255297 ALJWGKHDILEYFY-ZDUSSCGKSA-N 436.414 4.452 5 20 IIBD COC(=O)c1oc(COC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1C 781258107 OHLOFTGLJWBURQ-UHFFFAOYSA-N 427.359 4.005 5 20 IIBD O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781673853 WOYAAFJYLLXZFF-APYJYERMSA-N 449.488 4.034 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)Nc1ccc(SC(F)F)cc1 787586741 FDWBRIMRYPSQNY-UHFFFAOYSA-N 449.357 4.183 5 20 IIBD COc1ccc(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(OCC2CC2)c1 788205155 PUGWZMTYAMEOLW-ZDUSSCGKSA-N 439.424 4.360 5 20 IIBD C[C@@H](c1nnc(SCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1-c1ccc(F)cc1)N(C)C 789440003 FGSNUKDTXJZZIR-LBPRGKRZSA-N 446.464 4.138 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])OCc1noc(-c2ccc(F)cc2F)n1 790744311 BVWPYQXSXIHCOF-UHFFFAOYSA-N 427.722 4.001 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1cc(F)ccc1NC(=O)c1ccccn1 790865458 YGAUIONBOUKBDH-UHFFFAOYSA-N 446.797 4.355 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1CSC1=NCCS1 791476395 FYKXOIYFRCRGBT-UHFFFAOYSA-N 433.467 4.196 5 20 IIBD COc1ccc(OC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cc1[N+](=O)[O-] 792117301 FDJSXFZDMRLRNE-KRWDZBQOSA-N 434.448 4.214 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2ncccc2Cl)c2ccccc2)c([N+](=O)[O-])c1 796577217 CRCQZENYRSOFPR-LJQANCHMSA-N 425.828 4.488 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C2CC2)C2CCN(C(=O)OC(C)(C)C)CC2)c1 798322838 FSFNTOMBBXIEMK-UHFFFAOYSA-N 447.532 4.063 5 20 IIBD O=C(NCc1ccncc1OCC(F)(F)F)Nc1ccc(Br)c([N+](=O)[O-])c1 799223225 GOVIJHBNWVOPOW-UHFFFAOYSA-N 449.183 4.015 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)OCc1nc2cc(Br)ccc2o1 803499212 MCIIXQSOEJPNEE-UHFFFAOYSA-N 425.622 4.438 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H]1CCOc2c(F)cc(F)cc21 806010848 HJEPRSHWZXWLQL-MRXNPFEDSA-N 425.409 4.292 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccccc2)cc1[N+](=O)[O-] 807689118 PCBSLMZOPGFMME-QFIPXVFZSA-N 435.436 4.187 5 20 IIBD C[C@@H](CC(C)(C)c1ccccc1)NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810370305 FJLDPRHZLPESIK-ZDUSSCGKSA-N 448.317 4.168 5 20 IIBD C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 813627527 GSBPPNSQIXLZJP-XCLFUZPHSA-N 449.429 4.472 5 20 IIBD CC(C)[C@@H]1N(C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC12CCC2 816799938 PQPUKCPCAQHPFR-FQEVSTJZSA-N 444.509 4.013 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1ccc(C(F)(F)F)nc1 844266903 WVZIQGJIDRKDPI-UHFFFAOYSA-N 435.362 4.109 5 20 IIBD C[C@H](OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1Cl 849194824 ZYLGICNGJAWJCF-NSHDSACASA-N 449.250 4.271 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Oc3cccc(C(=O)N(C)C)c3)cc2[N+](=O)[O-])n1 915174140 BGDYDMMYCJXKMB-UHFFFAOYSA-N 443.506 4.432 5 20 IIBD Cn1ccc(COC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)cc1=O 919028303 VNUXUHGHOQOMHL-UHFFFAOYSA-N 430.869 4.455 5 20 IIBD CSc1ccc(C(=O)Nc2cccc(I)c2C)cc1[N+](=O)[O-] 1116516984 AQVCRTMILCPKFG-UHFFFAOYSA-N 428.251 4.482 5 20 IIBD O=[N+]([O-])c1cc2c(c(-c3nnc(-c4ccc(Br)cc4Cl)o3)c1)OCCO2 1117223676 LVNOWBZTHPICIE-UHFFFAOYSA-N 438.621 4.499 5 20 IIBD CCn1nc(-c2nnc([C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])o2)c2ccccc2c1=O 1118357706 WXAKKAUPMCFWAP-LLVKDONJSA-N 441.831 4.168 5 20 IIBD Cc1cccc(CN2CCCC[C@@H]2C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 1319041778 PNVSZHDCQVCABN-HXUWFJFHSA-N 436.468 4.051 5 20 IIBD Cc1ccc(Cn2ncc3c(C(=O)Nc4n[nH]c5ccc([N+](=O)[O-])cc45)cc(C)nc32)cc1 1323066707 JHMMUDCCSXMAMR-UHFFFAOYSA-N 441.451 4.133 5 20 IIBD O=c1ccccn1C[C@@H](NCc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 1327065476 DJHHOGNEYYXUGN-LJQANCHMSA-N 428.286 4.050 5 20 IIBD COC(=O)CNC(=O)c1ccc(NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1 1339300222 FNGDJHUWOHRDTB-UHFFFAOYSA-N 443.843 4.023 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(O)c([N+](=O)[O-])c4)CCC3)cc2)nc1 1787480874 MPYLELUIOPOKSN-UHFFFAOYSA-N 446.463 4.065 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3cccs3)CCC2)cc1)c1cc(O)cc([N+](=O)[O-])c1 1790755534 ZAGRCCDVEOKIHZ-UHFFFAOYSA-N 437.477 4.423 5 20 IIBD Cc1cccc(F)c1C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1 1792083268 VXZXUZSEEYOTFG-UHFFFAOYSA-N 436.443 4.432 5 20 IIBD Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2CC(C)(C)C2)cc(Cl)cc1[N+](=O)[O-] 1802432764 SYDUOSLZBSVJHC-BJWYYQGGSA-N 433.936 4.245 5 20 IIBD CC(C)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])[nH]n1 1816762496 JMILXMWAWBUWGU-KRWDZBQOSA-N 447.923 4.252 5 20 IIBD CCCCC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1 1822001365 RCJBPMFLCLARKQ-GOEBONIOSA-N 431.493 4.433 5 20 IIBD CC[C@H]1CC[C@H](C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)CC3)CC1 1825707856 MMICANKHJLNJLW-MGPQQGTHSA-N 446.529 4.087 5 20 IIBD CCC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)CC2)CCC1 1828471130 OCJVYLQFBRFDMQ-FHVRUZERSA-N 443.544 4.401 5 20 IIBD C/C=C/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(F)ccc([N+](=O)[O-])c2C)CC1 1831364821 PJDWBADJELHDDS-KLQPVQNPSA-N 443.519 4.408 5 20 IIBD Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 5972298 XERFVNXOOUGMHJ-UHFFFAOYSA-N 425.485 4.422 5 20 IIBD O=C(COC(=O)/C=C/c1ccc(Cl)cc1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 10866389 NLANCWKUMBJHPK-FPYGCLRLSA-N 428.750 4.462 5 20 IIBD CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 10949472 HMPMJGVRANEGIZ-QIIPPGSGSA-N 426.897 4.207 5 20 IIBD COc1ccc(CNc2nnc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)s2)cc1 16324414 SAHVTCABKBLTIA-GFCCVEGCSA-N 445.526 4.186 5 20 IIBD COc1ccc(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1Br 17982300 RPTCZXCURVHIKG-SNVBAGLBSA-N 448.229 4.334 5 20 IIBD C[C@@H](OC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 19425879 GTPLLHYJAGSMMB-CYBMUJFWSA-N 429.429 4.126 5 20 IIBD O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 22142282 IBWKWGWBKHJFDE-LJQANCHMSA-N 439.515 4.032 5 20 IIBD Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1ccc(Br)c([N+](=O)[O-])c1 22184031 YNUAVGHROLLMDP-CHWSQXEVSA-N 435.274 4.088 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)Nc2ccc(F)c(F)c2)cc1[N+](=O)[O-] 24593617 SLWOQCUDGWCPAM-UHFFFAOYSA-N 425.391 4.422 5 20 IIBD O=C(CSc1nn(-c2ccccc2)c(=S)s1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 26437746 AWYGHZDMLXTLNC-UHFFFAOYSA-N 448.507 4.031 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NCCc1ccc([N+](=O)[O-])cc1 64778132 SILGNPXQVCSZKG-NSHDSACASA-N 427.682 4.137 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(CN2CCCCC2=O)c1 65016364 HAYSRFJZQWOFCV-AWEZNQCLSA-N 431.876 4.167 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1Br 65437549 KUBILDCVJRNGGS-UHFFFAOYSA-N 443.095 4.484 5 20 IIBD COC(=O)N(C)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc1 108953643 MBQVZKKDONUPQM-UHFFFAOYSA-N 426.473 4.286 5 20 IIBD NC(=O)[C@H]1CCCN(Cc2ccc(NC(=O)c3cc4ccccc4c4cccnc34)cc2)C1 110905599 MWUHYFBETIVLKM-FQEVSTJZSA-N 438.531 4.338 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 139771629 NFGVWEOWAHDBKP-SFHVURJKSA-N 436.515 4.437 5 20 IIBD Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3F)cc2)cc([N+](=O)[O-])c1 195694532 ZRWGCWLFTYCILX-UHFFFAOYSA-N 447.419 4.235 5 20 IIBD CS(=O)(=O)Cc1ccccc1CNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 237345979 RZHPXSNRNHNSMM-UHFFFAOYSA-N 444.484 4.361 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CNC[C@H](c3ccc(F)cc3)N3CCOCC3)cs2)c1 237894319 GKOUGXJUALBHGN-OAQYLSRUSA-N 442.516 4.021 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@H]3CCN4CCCC[C@@H]34)c([N+](=O)[O-])c2)c(C)c1 301085660 JDQICIUHFADCIN-SFTDATJTSA-N 444.557 4.051 5 20 IIBD O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)Nc1ccccc1Cl 301109634 RPUNIDRXOBHIFF-UHFFFAOYSA-N 442.825 4.028 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NC2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 301946756 HFQUGRWUBPMCQE-HZPDHXFCSA-N 433.530 4.178 5 20 IIBD Cc1ccc(CN(CCc2ccccc2)C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)s1 303139016 LQVHRWQSFOBHNN-UHFFFAOYSA-N 426.542 4.440 5 20 IIBD Cc1ccc([C@H]2CCCCCN2C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)o1 303741791 IQBGDTPCFXVNQA-QGZVFWFLSA-N 427.457 4.328 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)cc1SC 303770114 QNFXYDCFFKOJLU-SJLPKXTDSA-N 443.569 4.450 5 20 IIBD O=C(O)[C@@H](Cc1ccc(OC(F)F)cc1)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 426822723 FHWDPHJRJPFGPN-QGZVFWFLSA-N 449.435 4.105 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCc1cccnc1Oc1cccc(F)c1 427902531 OLMKULAAFCFJBI-UHFFFAOYSA-N 448.410 4.165 5 20 IIBD CCOc1ccc([C@H](C)NC[C@@H](CO)Cc2ccccc2Br)cc1[N+](=O)[O-] 429420474 VZFLEWGIYXHKTM-GJZGRUSLSA-N 437.334 4.258 5 20 IIBD Cc1cc(N2C(=O)c3ccccc3C2=O)ccc1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 429823712 JKPVNUPISGBZRA-OAHLLOKOSA-N 429.432 4.195 5 20 IIBD COC[C@H](C)n1c(C)cc(C(=O)COc2c(Br)cccc2[N+](=O)[O-])c1C 431236978 OTZOLJRVNBMODB-LBPRGKRZSA-N 425.279 4.245 5 20 IIBD CCN([C@H](c1cccnc1)c1ccc(F)cc1F)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 431909147 KQJSSBLTBPGWCG-OAQYLSRUSA-N 447.463 4.377 5 20 IIBD Cc1nc(C)c(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)s1 435844964 MIBPBOJDQKDBPH-UHFFFAOYSA-N 448.551 4.136 5 20 IIBD Cc1cc(CN(C)C(=O)[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(C)C)ccc1F 436060245 DRCHJEUXECYXLU-IBGZPJMESA-N 435.883 4.109 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2c2nc(-c3ccc(O)cc3Cl)no2)ccc1[N+](=O)[O-] 436872221 LRVUNKRUIAPMJJ-QGZVFWFLSA-N 428.832 4.290 5 20 IIBD CCOc1cc(-c2noc(-c3cccc([N+](=O)[O-])c3OC)n2)cc(Br)c1O 436878794 UUKFNHGHKZTIOX-UHFFFAOYSA-N 436.218 4.187 5 20 IIBD COc1ccc(C(=O)C2CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC2)cc1 437008120 NEGNDGRRLLHLRA-UHFFFAOYSA-N 436.386 4.357 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)C(c1ccccc1)c1ccccc1 439754942 HIWZHGDAGQQFJZ-QGZVFWFLSA-N 447.491 4.269 5 20 IIBD COc1cc(C(=O)Nc2nc(-c3ccc(SC)cc3)ns2)c([N+](=O)[O-])cc1OC 440464224 QMCVGNNJGIZTKG-UHFFFAOYSA-N 432.483 4.105 5 20 IIBD CSC[C@@H](C)C(=O)N1CCC(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)CC1 440477916 KLTLEMRLZLSIHT-MRXNPFEDSA-N 433.574 4.108 5 20 IIBD CCOc1ccc(-c2nc(CN3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)cs2)cc1 440487900 BGLYIDQUWIAONG-INIZCTEOSA-N 425.514 4.198 5 20 IIBD O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444027690 DFUICIBSNYZFNO-SFHVURJKSA-N 429.495 4.215 5 20 IIBD C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 444107436 VPWWRRSUEYLAAD-JPYJTQIMSA-N 425.532 4.322 5 20 IIBD CCOC(=O)c1ccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c(O)c1 444255805 FCLBSOOSPUIICV-UHFFFAOYSA-N 438.386 4.094 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCC[C@]2(C1)OCc1ccccc12 444324276 DDIYREPZGRMCSZ-AREMUKBSSA-N 428.463 4.482 5 20 IIBD O=C(CN(Cc1ccco1)c1cccc(Cl)c1)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444636698 OPHUUHKXMYKIEC-UHFFFAOYSA-N 439.859 4.041 5 20 IIBD COc1ccc(CSCc2nc(CC(=O)Nc3c(C)cccc3C)no2)cc1[N+](=O)[O-] 445323826 WTCUFLGBAAYLOM-UHFFFAOYSA-N 442.497 4.218 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2O)c(C(F)(F)F)c1 446989027 KQTDWFSBTLKBBG-UHFFFAOYSA-N 430.282 4.139 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)c1ccc(F)cc1[N+](=O)[O-] 447631502 WSWZUHXXKPLUSA-UHFFFAOYSA-N 447.419 4.235 5 20 IIBD CC(C)(CCO)CNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 448264888 VHOOQTOHEZGVOM-UHFFFAOYSA-N 431.539 4.494 5 20 IIBD Cc1c(C(F)(F)F)nn(C)c1NC(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 461227141 PPGCFOWJGWBOQM-TXEJJXNPSA-N 439.438 4.390 5 20 IIBD COc1ccc([C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C2CC2)cc1 462451311 LWYPWAXFKDOWFE-MRXNPFEDSA-N 431.297 4.340 5 20 IIBD O=C(CCCc1nc(-c2cccs2)no1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464660657 ISPPSCILIRVUBZ-UHFFFAOYSA-N 442.497 4.099 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCC[C@H](OCc3ccccc3F)C2)c(C)c([N+](=O)[O-])c1 470112736 FDHAUGOYHFYZCU-KRWDZBQOSA-N 445.447 4.042 5 20 IIBD C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 470176150 UWYLARKDTCCDMY-WBILKINKSA-N 449.507 4.312 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCc4ccccc4[C@H]3CO)cc2[N+](=O)[O-])n1 477722044 UVKRDCYPXXBQDB-GOSISDBHSA-N 441.534 4.243 5 20 IIBD CCOC(=O)c1cc(NCc2cccc(-c3nc(C(=O)OC)cs3)c2)ccc1[N+](=O)[O-] 477804199 XKMJIMXBEQAYRP-UHFFFAOYSA-N 441.465 4.294 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 479760184 QTJZAEYMUSLIRI-MRVPVSSYSA-N 449.227 4.224 5 20 IIBD O=C(NCCCNC(=O)C1CCC1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 482331007 VEWLSWOMIJAJSJ-UHFFFAOYSA-N 447.944 4.436 5 20 IIBD CCc1c(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cnn1-c1ccc(Cl)cc1 482709485 CPLOARZLZYHKAJ-UHFFFAOYSA-N 436.859 4.434 5 20 IIBD O=C(NCc1ccncc1)Nc1cccc(CN[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 482953475 USEXYLRUIDXSIO-QHCPKHFHSA-N 445.523 4.422 5 20 IIBD CCc1cc(N2CCC[C@@H](CNC(=O)c3ccccc3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 484813902 WIDCOKVADWQISU-SFHVURJKSA-N 445.523 4.261 5 20 IIBD Cc1cc(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)nn1-c1ccc(Cl)cc1Cl 487048344 PYJIRKMWKJDFQZ-UHFFFAOYSA-N 449.298 4.070 5 20 IIBD CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 487712300 XZYRPXKAMRSADY-SJORKVTESA-N 427.526 4.123 5 20 IIBD Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 488045672 UMMRWTLALNBVCA-MRXNPFEDSA-N 439.541 4.379 5 20 IIBD COc1ccc([C@H]2CCCN2C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 488288459 KTGWUQMREIGMAP-QGZVFWFLSA-N 433.892 4.355 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 488408211 SSRHPUGKKCAOTM-UHFFFAOYSA-N 427.404 4.251 5 20 IIBD CCN(C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C1 491030765 ZUCNSLZALMOHCU-INIZCTEOSA-N 430.936 4.274 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCc1csc(-c2ccccc2)n1 497357108 KGMMHCMIHRNRLN-CYBMUJFWSA-N 431.901 4.498 5 20 IIBD COc1cc(C(=O)N(Cc2ccc(F)cc2F)C2CC2)c([N+](=O)[O-])cc1OC(F)F 499108374 ZNJZMBJAVMSRCV-UHFFFAOYSA-N 428.338 4.288 5 20 IIBD CCCN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@@H](C)CC(=O)Nc1ccccc1 500623539 ZPTHWVAORZZYJV-KRWDZBQOSA-N 435.484 4.050 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)Nc3cc(C(=O)N(C)C)ccn3)cc2[N+](=O)[O-])cc1 506223090 IBLKABPGSYVSSX-UHFFFAOYSA-N 436.493 4.404 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCCO[C@@H]2CCCC[C@@H]2C)cc1[N+](=O)[O-])c1ccccn1 507356594 HSSLKALPJGNVIM-PNLZDCPESA-N 426.517 4.488 5 20 IIBD Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)N(C)C 508902884 XEAZQGNNSFIHHS-WZONZLPQSA-N 440.544 4.147 5 20 IIBD CC(C)(C)[C@@H]1CCc2sc(C(=O)N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)cc2C1 515184353 VUJJDPXCALALQG-MRXNPFEDSA-N 428.558 4.165 5 20 IIBD COC(=O)c1ccc(CN(C)C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1 516101045 LVWBUJPVAVTNCU-IAGOWNOFSA-N 439.512 4.136 5 20 IIBD CC(C)NC(=O)c1ccc(NCCc2nc(-c3ccc(Cl)cc3)no2)c([N+](=O)[O-])c1 517602839 UHNRDIGZYHUBLT-UHFFFAOYSA-N 429.864 4.091 5 20 IIBD CC[C@@H](c1ccccc1OC)N(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 519556815 HASBDJPLLLDRLR-FPOVZHCZSA-N 439.512 4.126 5 20 IIBD CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 520098177 OOQOSIRWZFXQPS-OLZOCXBDSA-N 449.891 4.082 5 20 IIBD Cc1cc(C)n(Cc2cccc(-c3noc(-c4ccn(-c5cccc([N+](=O)[O-])c5)n4)n3)c2)n1 520297568 NXXYWKQCZOWRNK-UHFFFAOYSA-N 441.451 4.359 5 20 IIBD CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 521569360 GYVKPVDJEPBWGG-UHFFFAOYSA-N 434.418 4.299 5 20 IIBD C[C@H]1CN(c2ccccc2NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 522639916 JEENXCMXGBEFNJ-GJZGRUSLSA-N 433.892 4.269 5 20 IIBD COc1ccc(OCCSc2n[nH]c(-c3cc(Cl)ccc3OC)n2)c([N+](=O)[O-])c1 525111376 HBYHSXIBBHYDNP-UHFFFAOYSA-N 436.877 4.222 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 525520629 YTBUHZBCQCNMAM-QGZVFWFLSA-N 442.541 4.102 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)cc2[N+](=O)[O-])n1 533140081 GDMXAYMSHOZMKL-XKQJLSEDSA-N 431.539 4.198 5 20 IIBD O=C(Nc1cnn(-c2cnc3ccccc3n2)c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 534012120 BHSGHYHCOWQYJJ-UHFFFAOYSA-N 443.448 4.100 5 20 IIBD COc1cc(CN2CCC[C@H](OCC(F)(F)F)C2)c([N+](=O)[O-])cc1OCC(F)(F)F 534337316 DZERHEKDXCLPRQ-LBPRGKRZSA-N 446.344 4.088 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccc2ccccc2c1 536514210 YDZHQAVWHOQCCL-UHFFFAOYSA-N 438.505 4.376 5 20 IIBD CCCOc1c(Cl)cc(-c2noc(CCn3nc(C)c([N+](=O)[O-])c3C)n2)cc1OC 544919814 LBVGHGJIMNGLPI-UHFFFAOYSA-N 435.868 4.152 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(-c3ccc(Oc4ncccn4)cc3)no2)ccc1N1CCCC1 546330952 WYHIWZDICMZUBB-UHFFFAOYSA-N 430.424 4.494 5 20 IIBD COCCCCc1noc(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n1 546387191 QZBIBMMCRXCPTL-UHFFFAOYSA-N 433.468 4.390 5 20 IIBD CCCNC(=O)c1cccc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)c1 547175140 GUEBXRVOZUQEFH-UHFFFAOYSA-N 445.273 4.138 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(I)cc1C 548422099 LNSFLCUZMLXYBG-UHFFFAOYSA-N 426.210 4.159 5 20 IIBD Cc1cc(N2CCCN(C(=O)c3cccc(F)c3)CC2)c([N+](=O)[O-])cc1C(F)(F)F 549464803 DANAEKXVXLEAJV-UHFFFAOYSA-N 425.382 4.414 5 20 IIBD COCC[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(Cl)c(Cl)c1 551416505 OBBYQYWJIXJEML-GOSISDBHSA-N 438.311 4.158 5 20 IIBD COCC[C@@H](NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 551425116 UWIZHNKCDHYNSS-MRXNPFEDSA-N 442.299 4.216 5 20 IIBD CS(=O)(=O)c1cccc(N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] 553267994 UFFQDBUUWUIBOC-CQSZACIVSA-N 428.432 4.401 5 20 IIBD CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 554096039 WEIMAXFSEXATDZ-HUUCEWRRSA-N 433.496 4.389 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)c1 554942593 NUGPMSCWHRUDNQ-MZNJEOGPSA-N 448.479 4.237 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3nc(C4CCOCC4)cs3)cc2)c(C)c1[N+](=O)[O-] 557718374 FXZZCALWPVABDA-UHFFFAOYSA-N 441.513 4.059 5 20 IIBD C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 559450217 GJLPQKIRRFMUSF-OAHLLOKOSA-N 440.887 4.422 5 20 IIBD COc1ccccc1O[C@H]1CCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 560788755 QHKCQFHPHIPMKA-INIZCTEOSA-N 434.876 4.096 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cc(-c4nc[nH]n4)ccc3F)cc2[N+](=O)[O-])C1 564275465 QEDMLOXYVMWNER-KBPBESRZSA-N 438.463 4.254 5 20 IIBD Cn1cnn(-c2ccc(NCc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)cc2)c1=O 565472096 AYAYUKLKPFAKTA-UHFFFAOYSA-N 425.832 4.005 5 20 IIBD Cc1ccc(C[C@@H]2CCCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)C2)cc1 570653793 WJOSJQPVJKLWNS-URXFXBBRSA-N 449.551 4.298 5 20 IIBD O=C([C@@H]1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1)N1CCCC1 572530656 JCPBBYNZOLKLOU-QGZVFWFLSA-N 429.904 4.485 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCc1cn2cc(Br)cc(C)c2n1 578286408 WDYGVFCFZDOVOY-UHFFFAOYSA-N 446.305 4.240 5 20 IIBD CC(=O)N(c1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1)[C@@H]1C[C@@H]1C 579607508 PLABOUNBXHEBPX-BBATYDOGSA-N 432.274 4.371 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1Cc2cnn(-c3ccccc3)c2C1 580370979 BTEUEPBGIIBAIA-UHFFFAOYSA-N 427.258 4.007 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2c2nc(-c3cccc4ncccc34)no2)ccc1[N+](=O)[O-] 589153277 DNQXBZBRQXMDHJ-HXUWFJFHSA-N 429.436 4.479 5 20 IIBD O=C(Cc1cc(F)cc2c1OCOC2)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 589250985 MSFOBIDFHNIZOR-UHFFFAOYSA-N 436.395 4.013 5 20 IIBD COc1ccc([C@@H](Cc2ccccc2)Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 589606244 YJRDNMFHZCFRBU-QGZVFWFLSA-N 432.523 4.464 5 20 IIBD CC1CCN([C@@H](CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c2cccs2)CC1 603659820 JUWKQBMDIVPFGX-FQEVSTJZSA-N 439.541 4.045 5 20 IIBD CN(Cc1ccc(Br)o1)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 603689121 ZFIDZQOXCKBJDD-UHFFFAOYSA-N 437.168 4.164 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(NC(=O)c2ccccc2)c1C 603983532 MSFZWSOASMMZNU-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD O=C(CC1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1)NC1CCCC1 604403178 RYSZHJMUOQUYLY-UHFFFAOYSA-N 435.524 4.491 5 20 IIBD CCC[C@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1I 609033718 CHCCDYJRCUEDQV-CQSZACIVSA-N 438.265 4.341 5 20 IIBD CCOCCOc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 609106996 RPDMTMOUUHJHDE-UHFFFAOYSA-N 435.285 4.118 5 20 IIBD CN(CCc1ccc(Br)cc1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 609301588 NODHXUISTSNYGM-UHFFFAOYSA-N 446.345 4.275 5 20 IIBD COc1ccc(CNC(=O)N[C@H](C)c2ccc(F)c(Br)c2)cc1[N+](=O)[O-] 609391275 MPBXWFAMIQEMGK-SNVBAGLBSA-N 426.242 4.065 5 20 IIBD CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@H]1CCN(c2ccccc2Cl)C1=O 609527222 WVNSTUBDAQUEHU-INIZCTEOSA-N 429.885 4.340 5 20 IIBD COC(=O)c1ccc(OC(C)C)c(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c1 609724188 BPVQFYGWNRMCLA-UHFFFAOYSA-N 436.848 4.230 5 20 IIBD CN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(C)(C)c1ccc2c(c1)OCO2 609857080 ZSDWHDAHMPKTQO-UHFFFAOYSA-N 425.466 4.454 5 20 IIBD COc1cc(C(=O)Nc2ccccc2NC(=O)Cc2cccs2)cc([N+](=O)[O-])c1OC 610179813 KRQWWUAENQZROY-UHFFFAOYSA-N 441.465 4.107 5 20 IIBD O=C(NCCCc1nnc2n1CCCCC2)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611202909 XQZBUJMCSBRKHX-UHFFFAOYSA-N 443.573 4.310 5 20 IIBD COc1cc(-c2nc(Cc3cnn(C)c3)no2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 612912850 YEJVDKAWOQXEQL-UHFFFAOYSA-N 441.831 4.423 5 20 IIBD CN(Cc1nccn1C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 726431833 QWDJXMNPQPWPHH-UHFFFAOYSA-N 447.539 4.060 5 20 IIBD CC(=O)N1CCC(COC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 727771522 QTHLORFUHHAEQW-UHFFFAOYSA-N 432.860 4.456 5 20 IIBD Cc1ccc(SCCC(=O)OC[C@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])cc1 730705708 ZEKBTHWQFDXWGO-QGZVFWFLSA-N 428.510 4.233 5 20 IIBD CCOC(=O)Nc1ccc(OC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 730756269 SRNOMODNEQCGMN-UHFFFAOYSA-N 428.319 4.324 5 20 IIBD CC1=C(C(=O)OC(C)C)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1CCc1cccs1 731853036 WWRKMHMWUCJUPI-IBGZPJMESA-N 429.498 4.191 5 20 IIBD O=C(COC(=O)c1csc([N+](=O)[O-])c1)Nc1cccc(CSc2ccccn2)c1 733452858 DUCANULTAGSFLV-UHFFFAOYSA-N 429.479 4.139 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(=C2C(=O)Nc3cc(Cl)ccc32)CC1 734639451 YLVPMCHWSKRBFF-UHFFFAOYSA-N 442.859 4.290 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1 735014673 BOKPJUGXSBKABR-UHFFFAOYSA-N 448.266 4.298 5 20 IIBD O=c1c(C(F)(F)F)cc(-c2ccccc2)nn1CN1CCCc2ccc([N+](=O)[O-])cc21 738044532 OVJKJLDPBHYVDD-UHFFFAOYSA-N 430.386 4.248 5 20 IIBD Cc1sc(NC(=O)COC(=O)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)c1C 741823233 SYSSDSNNNNVIDN-UHFFFAOYSA-N 445.419 4.194 5 20 IIBD C[C@@H]1C[C@H]1[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(Cl)cc1 741998315 JXZMJEDUKOBXOM-CFCCAZDESA-N 429.904 4.212 5 20 IIBD Cc1ccc(S(=O)(=O)N(C(=O)c2cc([N+](=O)[O-])ccc2C)c2ccc(O)cc2)s1 743462681 NGIHHBYSMNKZGA-UHFFFAOYSA-N 432.479 4.014 5 20 IIBD C[C@](O)(CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccco1 743651483 KVSYJISPYRQMDK-NRFANRHFSA-N 429.860 4.091 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)c1nc(-c2cccc(F)c2)no1 744379185 TUSNZDDSRIRIQA-SECBINFHSA-N 435.209 4.037 5 20 IIBD C[C@H](OC(=O)c1ccccc1-c1nc(C(C)(C)C)no1)C(=O)Nc1ccccc1[N+](=O)[O-] 744933028 LGXKNBHWXGXZJH-ZDUSSCGKSA-N 438.440 4.126 5 20 IIBD CCc1nc(C(=O)OCc2cc([N+](=O)[O-])ccc2OC(C)C)nn1-c1ccccc1F 745242258 WWUGELOBVKNQJV-UHFFFAOYSA-N 428.420 4.021 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Oc1cccc2ccc(N3CCCCC3)nc12 746180079 BRINVTPTRYPINM-UHFFFAOYSA-N 431.445 4.040 5 20 IIBD C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H](O)c1c(F)cccc1Cl 748402747 YGEKYOUIIYAQLO-BTDLBPIBSA-N 435.864 4.363 5 20 IIBD Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] 750603439 NVZAKEXIQZNRCC-UHFFFAOYSA-N 427.411 4.419 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2cc(F)ccc2Sc2nccn2C)cc1[N+](=O)[O-] 751126338 WXZNZMCAQQWHQC-UHFFFAOYSA-N 431.405 4.088 5 20 IIBD O=C(OCc1coc(-c2c(F)cccc2F)n1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 751670703 LHKABUUEMRHKHC-UHFFFAOYSA-N 426.335 4.071 5 20 IIBD COc1ccc2nc(C3CC3)cc(C(=O)OCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c2c1 751821252 XHDGRPKBZQWKLP-UHFFFAOYSA-N 446.419 4.436 5 20 IIBD CC(C)(C)c1ccc(S(=O)(=O)NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 752613509 NTKMYRVSTWWONI-UHFFFAOYSA-N 436.433 4.091 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)Nc1ccc(Br)cc1 754987088 IANBLEYJSBRUDR-QMMMGPOBSA-N 445.628 4.334 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)OC[C@H]1CCC(=O)N(C)[C@H]1c1cccc(Cl)c1 755784520 FYICTVINDUULKS-VLIAUNLRSA-N 432.860 4.023 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(C)c1C(=O)NCCc1ccccc1 756677774 LEOZLNGEFULWOI-UHFFFAOYSA-N 433.464 4.137 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CC[C@@H]1CCCN1C(=O)OC(C)(C)C 758167237 VYYOMNGGDTWWJI-HNNXBMFYSA-N 425.913 4.386 5 20 IIBD COC1CCC(CC(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)CC1 758517764 QAMXDPSVMNTSGP-MOMVYJMYSA-N 432.517 4.118 5 20 IIBD CN(CC1(O)CCC1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 760076088 GJMHTSNOTZYDTQ-UHFFFAOYSA-N 437.540 4.041 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H](c2noc(-c3ccc(NC4CC4)c([N+](=O)[O-])c3)n2)C1 761884739 JNZWPMONGSBFKE-CQSZACIVSA-N 429.477 4.334 5 20 IIBD O=C(Nc1ccccc1C(=O)NCc1ccn2ccnc2c1)c1ccc([N+](=O)[O-])cc1Cl 762560296 BRHFYHLIBLPMRJ-UHFFFAOYSA-N 449.854 4.078 5 20 IIBD COc1ccccc1-c1nc(COC(=O)c2cc([N+](=O)[O-])ccc2SCCO)cs1 763744946 RFAKJWLAVNPCMG-UHFFFAOYSA-N 446.506 4.168 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 766222892 PQZSDMWVVNLRDK-UHFFFAOYSA-N 427.354 4.268 5 20 IIBD COc1cc(C(=O)OCc2cc(C)n(C)n2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 767988714 VHKPTSBOLUQQNY-UHFFFAOYSA-N 431.832 4.448 5 20 IIBD CCn1c(SCc2cc(=O)oc3c(C)c(O)ccc23)nnc1-c1ccc([N+](=O)[O-])cc1 768412212 NRIUZGHYNVMXCR-UHFFFAOYSA-N 438.465 4.286 5 20 IIBD O=C(CN(Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccccc1C(=O)Nc1ccccc1 768566962 YFPPAZWCAOLIMX-UHFFFAOYSA-N 444.491 4.450 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCC(Cc2ccc(F)c(F)c2)CC1 769042882 LTSJHJYKWZHJQT-UHFFFAOYSA-N 433.411 4.195 5 20 IIBD CC(C)(CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc(Cl)c1F 769271313 YBDSNPHSHMWELO-UHFFFAOYSA-N 428.247 4.073 5 20 IIBD C[C@H](OC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ncc(Cl)n1C 773889902 VCFRAPWMVJBXQC-OLZOCXBDSA-N 429.864 4.468 5 20 IIBD Cc1ccc([C@H](C)NCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1[N+](=O)[O-] 775547939 GJTYKMGFXKMFIK-ZDUSSCGKSA-N 441.469 4.224 5 20 IIBD O=C(CCc1nnc(-c2ccccc2)o1)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776137049 MQIZAXXDCLLOSG-JOCHJYFZSA-N 430.420 4.305 5 20 IIBD O=C(Nc1cccc(CS(=O)(=O)c2ccccc2)c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 777991231 DHISQMKCKQVXPI-UHFFFAOYSA-N 446.431 4.299 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cc(Cl)ccc1OC[C@H]1CCOC1 778137832 LIOZRKKTMLPKCE-ZDUSSCGKSA-N 449.847 4.143 5 20 IIBD CC(C)N(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(N2CCOCC2)cc1 779352935 YBMCSBXQHLAAAB-UHFFFAOYSA-N 435.427 4.088 5 20 IIBD CCCn1cc(C(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)cn1 781561607 KVAKVUWBLUZWHT-UHFFFAOYSA-N 428.832 4.326 5 20 IIBD COCCOC(=O)C1=C(C)N(c2ccc(C)cc2C)C(=O)N[C@H]1c1ccc([N+](=O)[O-])s1 782245191 NGVKJFYCWDIDBR-IBGZPJMESA-N 445.497 4.008 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN3CCC(n4ccc([N+](=O)[O-])n4)CC3)o2)c(Cl)c1 787289777 WRHVYDAPKCZLDI-UHFFFAOYSA-N 431.836 4.450 5 20 IIBD Cc1cc(C(=O)OCc2ncc(C)c([N+](=O)[O-])c2C)c2cnn(Cc3cccs3)c2n1 789437664 FXYKHACESNCPPK-UHFFFAOYSA-N 437.481 4.127 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)N(Cc2ccccc2)C[C@@H](O)c2ccsc2)c1[N+](=O)[O-] 790856191 GLOKCJHDEXCAGA-LJQANCHMSA-N 446.550 4.198 5 20 IIBD C[C@H](OC(=O)c1cc2sc(N3CCCC3)nc2s1)C(=O)Nc1ccccc1[N+](=O)[O-] 796313281 IDWCMOJWURZJOK-NSHDSACASA-N 446.510 4.050 5 20 IIBD CC1(C)C[C@H](OC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c2ccccc2O1 799434200 BVTRLNLYCPDCLC-IBGZPJMESA-N 426.425 4.129 5 20 IIBD C[C@@H](OC(=O)c1ncccc1Oc1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 799559563 GPEKWZMFMMLXIZ-CYBMUJFWSA-N 425.372 4.105 5 20 IIBD CCOC(=O)c1cc(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccccc2)cc([N+](=O)[O-])c1 804412560 UPBVBDBCGQPKFK-QHCPKHFHSA-N 448.475 4.148 5 20 IIBD Cn1nccc1-c1cc(F)ccc1OS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 809841619 QIEFCWNFGQEYEN-UHFFFAOYSA-N 446.243 4.209 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)O[C@@H](C)Cn2ccnc2C)cc1[N+](=O)[O-] 810619480 RKECNKTYDCZOGK-AWEZNQCLSA-N 439.493 4.298 5 20 IIBD Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)n2)n1 811931882 UVFNCYNJWCJCDV-UHFFFAOYSA-N 434.283 4.371 5 20 IIBD C[C@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccc(C(F)(F)F)nc1Cl 817875825 ZFWWGILDDMAFFI-JTQLQIEISA-N 439.781 4.339 5 20 IIBD COc1cc(-c2nc(-c3ccc(Br)cn3)no2)c([N+](=O)[O-])cc1OC(F)F 904844855 JGMVKRPUQBVVIL-UHFFFAOYSA-N 443.160 4.079 5 20 IIBD CCOc1ccc(N2C(=O)/C(=C/NNc3ccc([N+](=O)[O-])cc3)c3ccccc3C2=O)cc1 912741898 NLWOTQUNLACJOR-PXLXIMEGSA-N 444.447 4.138 5 20 IIBD C[C@@H](OC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(=O)Nc1ccc(Cl)cc1Cl 915513834 PKCYTRUKDSKSHF-LLVKDONJSA-N 449.250 4.271 5 20 IIBD CN(Cc1cnn(-c2ccccc2)n1)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 915648503 HOXFPPZAFFZIQP-UHFFFAOYSA-N 442.479 4.060 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1 916504604 NXSPNHVTIXMUHQ-UHFFFAOYSA-N 436.443 4.233 5 20 IIBD C[C@@H](OC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OC(F)F)cc1 916523190 OFYFQBRYCPHVBQ-VXGBXAGGSA-N 440.424 4.247 5 20 IIBD O=C(OCc1nnc(-c2ccc(Br)s2)o1)c1cc2cc([N+](=O)[O-])ccc2[nH]1 917329505 VFXQSPQIPRBACG-UHFFFAOYSA-N 449.242 4.307 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1ccccc1N1CCCCC1 917718225 UXXMLHCHRQSIJK-UHFFFAOYSA-N 440.319 4.148 5 20 IIBD C[C@@H](OCC1CC1)C(=O)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 920781283 MHUXPOPUEMDSLW-YJYMSZOUSA-N 432.860 4.286 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] 921060813 YYDQTNFJGPDSBS-UHFFFAOYSA-N 441.849 4.123 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NCc2ccc(Br)cc2Cl)c1[N+](=O)[O-] 921189513 RLNDJEDQMZCJRU-UHFFFAOYSA-N 430.642 4.332 5 20 IIBD Cc1nc(-c2cccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3N)c2)[nH]c1C 1116947614 AGUJCQBCMDWWDZ-UHFFFAOYSA-N 430.262 4.199 5 20 IIBD CC(C)(C)OC(=O)Nc1cc(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)ccc1F 1320821829 FOOSMPSZOYLTGE-GOSISDBHSA-N 444.419 4.213 5 20 IIBD O=[N+]([O-])c1sccc1S(=O)(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 1321103882 VMBGXONFEPNVAD-UHFFFAOYSA-N 425.875 4.085 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@H]2CC(=O)N(Cc3ccccc3Cl)C2)n1 1337930102 SVCMQMRUWBTXLF-HNNXBMFYSA-N 426.860 4.431 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(F)c4[N+](=O)[O-])CCC3)cc2)cn1 1787303392 YROZUNYMAVOTRT-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD CC[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 1801528077 MJUJJPMRBIHGJB-FWIIZBITSA-N 445.535 4.131 5 20 IIBD CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 1824160902 FDWAOZISPJGHOB-LJQANCHMSA-N 435.952 4.211 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCCCN2C(=O)C2(F)CCC2)CC1 1832501551 QQKHTKQFILGYNU-NRFANRHFSA-N 445.535 4.039 5 20 IIBD COC(=O)c1ccc(COC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)o1 3499827 XMVGUACCLCVNDW-UHFFFAOYSA-N 443.795 4.216 5 20 IIBD Cc1cc2ccccc2n1CC(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 10621952 BQGPFYZPVCYBGG-CYBMUJFWSA-N 449.385 4.447 5 20 IIBD O=C(COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)Nc1ccccc1 10759254 VUMZWYLGCRYLSH-NTCAYCPXSA-N 445.431 4.042 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc2ccccc2c(=O)n1CCC(C)C 11205971 SQEREZIWPWBXMH-UHFFFAOYSA-N 440.525 4.390 5 20 IIBD Cn1c(Cl)cnc1COC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 11390325 CAMVCJLFPUBHES-UHFFFAOYSA-N 449.250 4.244 5 20 IIBD C[C@@H](Sc1nnc(NCc2ccc(F)cc2)s1)C(=O)Nc1cccc([N+](=O)[O-])c1 16334785 UILNGLLZLOIFSP-LLVKDONJSA-N 433.490 4.317 5 20 IIBD C[C@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)Nc1cccc2ncccc12 22184270 HYZFYOCWTOMRRH-NSHDSACASA-N 444.241 4.090 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)c1 22863877 NTQWWPQYCNBUMN-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD COc1ccc(Cl)cc1-c1n[nH]c(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)n1 23777462 MWDNLCREFJXEOV-LLVKDONJSA-N 447.904 4.470 5 20 IIBD CCOc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])cc1OC 28000131 QENMISYREHEPLC-AWEZNQCLSA-N 444.484 4.484 5 20 IIBD Cc1c(NC(=O)[C@H](C)Nc2ccc(NC(=O)NCc3ccco3)cc2)cccc1[N+](=O)[O-] 29720294 FYVKUZDXXMCHEZ-HNNXBMFYSA-N 437.456 4.257 5 20 IIBD Cc1cc(=O)c(C(=O)Nc2cccc(OCCC(C)C)c2)nn1-c1ccccc1[N+](=O)[O-] 64424712 YQUSJFWOOCSFDO-UHFFFAOYSA-N 436.468 4.126 5 20 IIBD CCc1cc(Sc2nnc(N(C(C)=O)C3CC3)s2)nc(-c2ccc([N+](=O)[O-])cc2)n1 64905615 UYVYDUBHELIEMF-UHFFFAOYSA-N 442.526 4.132 5 20 IIBD CCOc1ccc(C(=O)N[C@H](c2ccccc2)c2nc3ccccc3n2C)cc1[N+](=O)[O-] 109145299 DLZKNPBNDZDBGP-JOCHJYFZSA-N 430.464 4.400 5 20 IIBD C[C@@H]1CN(c2ccc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cc2)C[C@@H](C)O1 109556201 IPHXVQSULATPFL-RTBURBONSA-N 441.531 4.407 5 20 IIBD O=[N+]([O-])c1cc(Br)cnc1N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 301667528 CULWGQBVAFNLLJ-LBPRGKRZSA-N 448.252 4.325 5 20 IIBD COCc1ccc([C@@H]2CCCN2c2ccc(I)cc2[N+](=O)[O-])o1 302217650 JVKSPTHKGVMUMS-AWEZNQCLSA-N 428.226 4.280 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn23)C1 302899026 OMEPKDOTDIHGHW-GFCCVEGCSA-N 434.378 4.068 5 20 IIBD CN(C)[C@@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1c(F)cccc1F 303721667 RRMLRWWBHGIPBW-KRWDZBQOSA-N 432.452 4.029 5 20 IIBD Cc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1OC1CCOCC1 303760505 OHJODVTUQQOZLV-UHFFFAOYSA-N 425.485 4.314 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br 410352681 INWIPSGKXXQUBF-UHFFFAOYSA-N 439.209 4.485 5 20 IIBD O=C([C@H]1CCCN(c2ncnc3sccc23)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 427574276 NGJZITVZHCWYCY-INIZCTEOSA-N 437.525 4.007 5 20 IIBD COc1cc(C(=O)Nc2cc3c(cc2Cl)CCC3=O)c([N+](=O)[O-])cc1OC(F)F 429480860 LSNWSQHMYDWBLO-UHFFFAOYSA-N 426.759 4.239 5 20 IIBD O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 431504516 GAHLFXOIKHBHNP-ZDUSSCGKSA-N 435.249 4.232 5 20 IIBD Cc1cc(C)c(NC(=O)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(Br)c1 431739585 DGPWLRDAFHPJQE-CYBMUJFWSA-N 434.290 4.098 5 20 IIBD CCc1ccc(C(=O)Nc2cc(C)nn2[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] 435290952 SULNGPVLPLDSCD-OAQYLSRUSA-N 433.512 4.361 5 20 IIBD COc1cccc(Cc2nnc(NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)s2)c1 437366688 WXAPPDLSEQIDTH-UHFFFAOYSA-N 438.387 4.317 5 20 IIBD O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ncc(-c4cccc(Br)c4)o3)C2)nc1 440495965 QNRDOTGHYHLLEV-OAHLLOKOSA-N 444.289 4.094 5 20 IIBD O=C1CCCN1c1ccc(OCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 440594918 CYFFZTNJEGTNKP-UHFFFAOYSA-N 445.475 4.334 5 20 IIBD COc1ccc(CSCC(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)cc1[N+](=O)[O-] 443854760 VJBHZOGYLCXOJO-GOSISDBHSA-N 428.510 4.101 5 20 IIBD C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444318591 QCQWGPOASQFBQR-IQMFZBJNSA-N 447.485 4.210 5 20 IIBD C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 444406001 VDTCAPXEUFRRSG-BLVKFPJESA-N 427.844 4.104 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2c[nH]nc2-c2nccs2)cc1[N+](=O)[O-])c1ccccn1 446597979 BMGDHZZMLGAADD-GFCCVEGCSA-N 435.469 4.262 5 20 IIBD COc1cc(CNc2nnc(SCc3ccc(Cl)cc3)s2)c([N+](=O)[O-])cc1O 447958254 GAVTZNHZMKODOU-UHFFFAOYSA-N 438.918 4.718 5 20 IIBD Cc1c(C(=O)Nc2ccc(Br)c(Cl)c2)nnn1-c1cccc([N+](=O)[O-])c1 448400954 BGNKELPPOYSIAV-UHFFFAOYSA-N 436.653 4.152 5 20 IIBD CCOc1ccc(N(C(=O)c2ccc([N+](=O)[O-])o2)C2CCN(CC(F)(F)F)CC2)cc1 460159083 AEMVDJMBQMOMRV-UHFFFAOYSA-N 441.406 4.260 5 20 IIBD Cc1ccnc(Oc2cc(NC(=O)[C@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)ccc2C)c1 461313792 FLVGZRUOTIEUKC-INIZCTEOSA-N 434.452 4.156 5 20 IIBD CCSc1cc(Cl)ccc1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 461329218 BRVRGCUOJUKFQQ-UHFFFAOYSA-N 439.946 4.020 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1 461430848 QEXZSEVAWCBVHX-IRXDYDNUSA-N 433.430 4.208 5 20 IIBD Cn1cc(C(=O)NC[C@@H]2CCCCN(Cc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 461471618 QUDUUSRWNWZKHI-FQEVSTJZSA-N 447.539 4.027 5 20 IIBD CC(C)(C)Oc1ccc(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c(C(F)(F)F)c1 462572166 MIZDLPVUXOSKRR-UHFFFAOYSA-N 446.447 4.411 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(=O)N(C)C2CCOCC2)cc1 462638079 IIZSXPLYHFTMPK-SFHVURJKSA-N 439.512 4.053 5 20 IIBD CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 465262435 DUKPMFMCKHOBBT-UHFFFAOYSA-N 440.477 4.362 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(O[C@@H]2CCN(C)C2=O)cc1C 466536374 NXTSSNVUDNDOGF-LJQANCHMSA-N 443.525 4.267 5 20 IIBD O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H]1c1cc(F)cc(Br)c1 467199192 XXWOZPIMVHRARJ-IRXDYDNUSA-N 439.281 4.073 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Br)cc2C(F)(F)F)cc1 467431259 WXYVPZYUVSVDNG-UHFFFAOYSA-N 425.182 4.177 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CCN(c2c(Cl)cccc2Cl)CC1 469329513 WOFJNINSBAPOQV-UHFFFAOYSA-N 447.278 4.118 5 20 IIBD CCOC(=O)c1c(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(OC)cc1OC 471259499 NBEZYRYWZMAWIG-UHFFFAOYSA-N 442.346 4.060 5 20 IIBD Cc1nc2ccccc2n1C1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 477462776 STSOUXIFBAUGEO-UHFFFAOYSA-N 443.301 4.493 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)cc1OC 478004306 RKLWJCSQWJBPEL-MWLCHTKSSA-N 441.303 4.112 5 20 IIBD Cc1sc([C@H](C)NC(=O)CCn2cc([N+](=O)[O-])nc2C)nc1-c1ccc(Cl)cc1 479204689 LITAYHOFMCIXQH-NSHDSACASA-N 433.921 4.453 5 20 IIBD COc1ccc(CNC(=O)Nc2cccc(-n3cc(C(F)(F)F)cn3)c2)cc1[N+](=O)[O-] 481943830 QXHQVRDXTRZVGO-UHFFFAOYSA-N 435.362 4.130 5 20 IIBD CC(=O)Nc1ccc(F)c(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1 484409549 XASBHYLSIOLYKX-ZIAGYGMSSA-N 428.464 4.427 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3ccc(F)cc3)CC2)cc1OC 484433811 BQXUZXUYPRDMKT-INIZCTEOSA-N 446.475 4.178 5 20 IIBD CN(C(=O)CCOCC(F)(F)C(F)(F)F)c1nc(-c2ccccc2[N+](=O)[O-])cs1 485639109 AWXGGXDRWCRERQ-UHFFFAOYSA-N 439.362 4.285 5 20 IIBD Cc1ccc(CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c(OC[C@@H]2CCCO2)c1 487898903 QKJKAGMSSLHYRE-IBGZPJMESA-N 447.919 4.156 5 20 IIBD CC[C@@H](C)[C@@](C)(O)CNc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] 488239385 BHZAFWBGKFIJSD-IERDGZPVSA-N 435.546 4.221 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cc3)cn2)cc1[N+](=O)[O-] 488461927 OVEYLRAKCSCFOL-UHFFFAOYSA-N 435.845 4.245 5 20 IIBD O=c1c2cnn(Cc3ccc(Cl)cc3Cl)c2ncn1Cc1c(F)cccc1[N+](=O)[O-] 489763209 URJXEWFSGRLUTH-UHFFFAOYSA-N 448.241 4.044 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1nc(-c2ccccc2OC)no1 489935152 TYWQRWDBULEBBQ-LBPRGKRZSA-N 428.470 4.256 5 20 IIBD CCNc1ccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)cc1[N+](=O)[O-] 489968577 XFNFIZFJSCBLKC-UHFFFAOYSA-N 442.479 4.204 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 490362959 HBVFYQSUBLJOMV-AWEZNQCLSA-N 434.949 4.400 5 20 IIBD CCOC(=O)c1nc(N(CCc2ccccc2)C(=O)c2ccc([N+](=O)[O-])o2)sc1C 490849729 NMBUZDBVXLAFIQ-UHFFFAOYSA-N 429.454 4.019 5 20 IIBD Cc1cc(NC(=O)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1Oc1cccnc1 493918592 ZXBIRINCESSHDJ-MRXNPFEDSA-N 434.452 4.215 5 20 IIBD NC(=O)CCOc1ccccc1NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 494455142 NUXCEFCODNADRC-UHFFFAOYSA-N 437.477 4.253 5 20 IIBD CCOc1ccc(C(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)cc1[N+](=O)[O-] 497993561 LOBKIVKMBNFBJM-OAHLLOKOSA-N 433.302 4.461 5 20 IIBD COc1ccc(I)c(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 498001791 RQYDUHRZVHEMCU-JTQLQIEISA-N 441.225 4.091 5 20 IIBD O=C(NCCCCc1nc(-c2cccnc2)cs1)c1ccc([N+](=O)[O-])c2cccnc12 498270314 KEVQLPKPMOJODD-UHFFFAOYSA-N 433.493 4.414 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)N(Cc1ccccn1)c1ccc(Cl)cc1 500477645 YAJVNMQJGRMNLU-UHFFFAOYSA-N 431.901 4.222 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCCCn3cnc4ccccc43)cc2[N+](=O)[O-])C1 500506456 DBCFWBQWWMSGMN-ROUUACIJSA-N 435.528 4.247 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[C@@H]3c3n[nH]c(-c4ccccc4)n3)o2)c1 503146239 LPPFBLULRXIMIW-LJQANCHMSA-N 430.468 4.415 5 20 IIBD COc1cc(COc2cccc(Oc3ncccn3)c2)c([N+](=O)[O-])cc1OCC(F)F 503305963 XAGPUQOBUDSQKX-UHFFFAOYSA-N 433.367 4.409 5 20 IIBD COC(=O)C[C@@H](NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)c1ccc(Br)cc1 503975795 YPCUFCBTAAKBET-OAHLLOKOSA-N 436.262 4.092 5 20 IIBD CCNc1ccc(C(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1[N+](=O)[O-] 504233397 XRUKNCPPXDKCAL-OAHLLOKOSA-N 433.468 4.165 5 20 IIBD Cc1cc(=NCCC(=O)Nc2cccc(Cl)c2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 507015888 SQLIHTVYKQNGKF-UHFFFAOYSA-N 425.876 4.185 5 20 IIBD COc1ccc(S(=O)(=O)N[C@H]2CCOc3c(-c4ccccc4)cccc32)cc1[N+](=O)[O-] 509651616 IRRPEDHZSVRLSI-IBGZPJMESA-N 440.477 4.073 5 20 IIBD COc1cc(CCNC(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)c([N+](=O)[O-])cc1OC 510658750 PAHMQQBNAAEASD-UHFFFAOYSA-N 440.456 4.248 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CC3(CCOCC3)[C@@H]2C2CC2)cc1[N+](=O)[O-])c1ccccn1 515181069 YDJUNINKGIOYED-ZHRRBRCNSA-N 436.512 4.194 5 20 IIBD C[C@H](c1cccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1)N1CCOCC1 517856907 SOIUGXYVEBONRB-OAHLLOKOSA-N 438.509 4.364 5 20 IIBD CC(C)[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 521267942 GYSZNZVPLMJMTJ-RBZFPXEDSA-N 434.876 4.300 5 20 IIBD O=C(Nc1ccc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 521457949 FRGRJGLKCWSUQC-UHFFFAOYSA-N 427.420 4.285 5 20 IIBD COc1cc([C@@H]2Nc3cc(Cl)ccc3C(=O)N2C)c([N+](=O)[O-])cc1OCC(F)(F)F 521483998 YHYSOXOBVRIORN-MRXNPFEDSA-N 445.781 4.394 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(COc2cccc(F)c2)c1 522846724 RXCHARYXYZKOTM-LJQANCHMSA-N 441.463 4.184 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1 522849986 RIPNPVMDKFUZBZ-HNNXBMFYSA-N 446.558 4.382 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCc2c(Br)cccc2C1 524256734 WFIUWNDPKUSRNW-UHFFFAOYSA-N 440.091 4.318 5 20 IIBD CN(C(=O)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H](c1ccccc1)c1ccc(F)cc1 524401962 LXNKSHUOFVZMNC-QHCPKHFHSA-N 445.454 4.240 5 20 IIBD COc1ccc2[nH]cc(C3CCN(C(=O)c4cc(OC)c(OC)c([N+](=O)[O-])c4)CC3)c2c1 525240655 HUAQBKUWXVNKDP-UHFFFAOYSA-N 439.468 4.122 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 525324273 DGTCGYHYTBSPQV-QGZVFWFLSA-N 448.470 4.097 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 532707351 YTZGPJBDPMGMHV-OFNKIYASSA-N 431.496 4.164 5 20 IIBD COc1cc(C(=O)N(C)C[C@H]2CCC[C@@H]2O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 534391642 WTXIPRVRORETNU-PBHICJAKSA-N 434.876 4.282 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC=C(c2ccc3c(c2)OCCO3)CC1 537763749 LFHXWMWXPHKPDG-OAHLLOKOSA-N 426.494 4.163 5 20 IIBD CCOc1ccc(NC(=O)CNC(C)(C)c2ccccc2Br)c([N+](=O)[O-])c1 540422291 CYXKKDHSJLXEOF-UHFFFAOYSA-N 436.306 4.219 5 20 IIBD Cn1c(=O)n(C)c2cc(NC(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)ccc21 541605628 WDCXBOSRWIRYPT-UHFFFAOYSA-N 440.525 4.320 5 20 IIBD Cc1c(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)nnn1-c1ccccc1Cl 546495230 SKKJUEDKMFYTQQ-UHFFFAOYSA-N 435.831 4.259 5 20 IIBD C[C@@H](CNC(=O)c1ccccc1)c1noc(Cn2c3ccccc3c(=O)c3ccccc32)n1 547170912 DJMCHDGQENWFFD-KRWDZBQOSA-N 438.487 4.120 5 20 IIBD C[C@H](c1ccccc1F)N1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)C1=O 549198238 FQRZOGUDZYMZNS-BDJLRTHQSA-N 437.269 4.056 5 20 IIBD NC(=O)c1ccc(SCc2nc(C3(c4ccccc4F)CCCC3)no2)c([N+](=O)[O-])c1 551436984 GUNDYHMOZLZTFZ-UHFFFAOYSA-N 442.472 4.368 5 20 IIBD O=C(N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 553691996 ODKBEYBMMSGRHZ-HXUWFJFHSA-N 433.386 4.227 5 20 IIBD O=C(N1CCOc2ccc([N+](=O)[O-])cc2C1)C1(Cc2ccccc2Br)CC1 563557690 RWIBSLURZBUDPI-UHFFFAOYSA-N 431.286 4.101 5 20 IIBD O=C(NCc1cc2ccccc2[nH]1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 563568577 RWVXWCUZAXQARP-UHFFFAOYSA-N 430.251 4.499 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(Br)cc2F)c([N+](=O)[O-])c1 566825066 BSBROEVUCITDKW-QWRGUYRKSA-N 440.269 4.183 5 20 IIBD COc1cc(C(=O)N2[C@H]3CCCC[C@H]3C[C@H]2C)c([N+](=O)[O-])cc1OCc1cscn1 569298055 PNRTWWILUHIHDL-KEYYUXOJSA-N 431.514 4.432 5 20 IIBD Cc1ccc(Nc2ccccc2C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 573256886 GPABUTGFWOOTEP-UHFFFAOYSA-N 444.491 4.245 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N(CCO)Cc1ccc(Br)s1 573371624 AAYVTCFLFXYUHA-UHFFFAOYSA-N 428.308 4.008 5 20 IIBD CC[C@@H](NC(=O)c1ccccc1)c1noc(-c2cc(Br)cc([N+](=O)[O-])c2)n1 574145629 IMNRCKQVUWXXQV-OAHLLOKOSA-N 431.246 4.288 5 20 IIBD CCOc1cc(Br)ccc1NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 574847363 HDYFZIAVSBWXBR-UHFFFAOYSA-N 436.262 4.183 5 20 IIBD COc1cc(CN2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)c([N+](=O)[O-])cc1F 577836073 HLIDWWVMYYNZGN-SFHVURJKSA-N 430.354 4.215 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNc3ccc(C(F)(F)F)nn3)o2)c(Br)c1 584442927 OYJLGNWHLXDOBO-UHFFFAOYSA-N 443.179 5.038 5 20 IIBD CCc1cc(N2CCn3c(C4CCCC4)nnc3[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 584652602 PZGIBOQEPVHASK-HNNXBMFYSA-N 433.516 4.445 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)Nc2ccc3c(cnn3C(F)F)c2)cc1[N+](=O)[O-] 585760452 LVEZNYNZWWZKCU-UHFFFAOYSA-N 431.399 4.214 5 20 IIBD COc1ccc(C(=O)N2CCC[C@H]2c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)cc1 589136704 KHMZQQWTBCEVNN-FQEVSTJZSA-N 447.451 4.036 5 20 IIBD C[C@@H](C(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c1)n1cccn1 590153688 RSXVEMNRTIGUGW-LBPRGKRZSA-N 447.373 4.262 5 20 IIBD CCNc1ccc(C(=O)N(CC)CC(=O)Nc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] 603470766 FQTXAYUQHPJVBW-UHFFFAOYSA-N 438.406 4.146 5 20 IIBD COc1cc(C(=O)Nc2ccnn2Cc2cccc(C)c2)c([N+](=O)[O-])cc1OC(F)F 603559635 GVBDTXHZSFAALN-UHFFFAOYSA-N 432.383 4.010 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2sc3c(c2C(=O)OC)CCCCC3)cc1OC 603742050 XEYRGEIFQRUBBB-UHFFFAOYSA-N 448.497 4.371 5 20 IIBD CCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)cc1 604490384 PKXYJVSWURSYAS-UHFFFAOYSA-N 431.495 4.073 5 20 IIBD Cc1ccc(CCCNC(=O)c2ccc([N+](=O)[O-])cc2I)c(C)c1 604565478 FJPGJAZAXYHEAN-UHFFFAOYSA-N 438.265 4.179 5 20 IIBD COc1ccc(CN(Cc2ccccc2)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 609465140 TYSZLURRWSCCOJ-UHFFFAOYSA-N 426.494 4.136 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(Cc1ccco1)c1ccc(Cl)cc1 609492476 FFDJWMUHKQSEIY-AWEZNQCLSA-N 427.844 4.193 5 20 IIBD COC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC(F)F)c1 609509936 MTESYMOSGQBQKQ-SECBINFHSA-N 444.774 4.042 5 20 IIBD C[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1Br)c1cccc([N+](=O)[O-])c1 609784357 RMLJYQBLJUWNOV-LLVKDONJSA-N 433.237 4.173 5 20 IIBD Cc1ccc(NCCCNC(=O)Cc2c(C)nn(-c3ccc(F)cc3)c2C)c([N+](=O)[O-])c1 610052918 WBTWTYAQIGEJAW-UHFFFAOYSA-N 439.491 4.006 5 20 IIBD O=C(NCC1(CO)CC1)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 610779189 CVVSRHWAIQDXHT-UHFFFAOYSA-N 426.416 4.267 5 20 IIBD O=C(NCC1(N2CCCC2)CCOCC1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611203757 PMPBKDJQNFWGMR-UHFFFAOYSA-N 433.574 4.004 5 20 IIBD Cc1cccc([C@H](CNC(=O)c2cc3ccccc3c3cccnc23)N2CCOCC2)c1 643177199 KOAUKPPONCVIIR-VWLOTQADSA-N 425.532 4.500 5 20 IIBD Cc1cc(Cn2c(-c3ccc(C)c([N+](=O)[O-])c3)csc2=Nc2ccc(C(N)=O)cc2)no1 726389519 HSARICMXSMFPCN-UHFFFAOYSA-N 449.492 4.109 5 20 IIBD CCCOc1ccc(COC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 726502660 JGVUZPLXCBTMKP-NRFANRHFSA-N 426.469 4.040 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(OCc2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])c1 728442723 DOYSKYFPUKLJLS-UHFFFAOYSA-N 428.422 4.153 5 20 IIBD O=C(OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1ccc(SC(F)F)cc1 730703067 GVQCPLPYCZWSRW-AWEZNQCLSA-N 436.436 4.371 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCc1ccnc(Oc2ccccc2)c1 731971720 NRQSUVRNGJRNPJ-UHFFFAOYSA-N 435.408 4.391 5 20 IIBD Cc1ccc(COc2cccc(NC(=O)C(=O)N(C)Cc3ccccc3[N+](=O)[O-])c2)cc1 732478991 RDNLBRXJXQUFCF-UHFFFAOYSA-N 433.464 4.079 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N2CCCC[C@@H]2C(C)C)cc1 735262665 HBQGAKYJIKKKPT-HXUWFJFHSA-N 446.525 4.322 5 20 IIBD C[C@H](OC(=O)c1cccc(Oc2cnccn2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 736924721 LOXYUZVFWSOMIV-LBPRGKRZSA-N 442.815 4.015 5 20 IIBD CN1C(=O)CC[C@H](COC(=O)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(C(F)(F)F)cc1 737376104 QULWKVVHGAUBGO-KUHUBIRLSA-N 436.386 4.380 5 20 IIBD C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2Br)CCN1Cc1ccccc1 737680686 WAJZEPYGAZRBQI-WBVHZDCISA-N 446.345 4.482 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)[C@@H](C)N2CCCCCC2)c2ccccc2)c([N+](=O)[O-])c1 741028936 JQBVSUQXAVWBDT-XMSQKQJNSA-N 439.512 4.391 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2)c([N+](=O)[O-])cc1OC(F)F 744534917 VCILXRLKHXVJRI-VIFPVBQESA-N 444.774 4.042 5 20 IIBD CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 745171852 OADHYUOZOQSPLX-CYBMUJFWSA-N 447.875 4.417 5 20 IIBD CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCc1cc(Cl)ccc1[N+](=O)[O-] 746074501 DJWBXRQHESEPKQ-VBKZILBWSA-N 430.888 4.291 5 20 IIBD CC(C)[C@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)NC1CCCCC1 747957688 PPFYREJKHSBPLB-SFHVURJKSA-N 431.514 4.349 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)OCC[C@@H]1CCCC1=O 748168529 CEHIULWJYNKOHR-KRWDZBQOSA-N 433.464 4.293 5 20 IIBD Cc1cc(F)c2c(c1)CCCN2C(=O)c1ccc([N+](=O)[O-])cc1I 751094642 IPPQUIKSKCVSET-UHFFFAOYSA-N 440.212 4.240 5 20 IIBD O=C(NCc1ccc(Br)c(F)c1)c1cc([N+](=O)[O-])ccc1Br 751112045 IXANBTNPMCVFPY-UHFFFAOYSA-N 432.043 4.189 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 751164355 ISOSBAWUDSFJQN-OWCLPIDISA-N 437.562 4.227 5 20 IIBD Cc1ccc(NC(=O)c2c3c(cc([N+](=O)[O-])c2[N+](=O)[O-])OCCO3)cc1OCCC(C)C 751286418 UBGHVCPUCRRKPW-UHFFFAOYSA-N 445.428 4.260 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(Cc2ccccc2)C[C@@H](O)c2ccsc2)cc1C 751496210 UCWIAYXOFATBQP-HXUWFJFHSA-N 446.550 4.198 5 20 IIBD CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)OCc1nc3cc([N+](=O)[O-])ccc3o1)O[C@@H](C)C2 751662813 NKLINSLKOZZACG-YLQAJVPDSA-N 438.436 4.305 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)c1nc(O)c2ccccc2n1 751692748 STNCDWLUGATBHT-QMMMGPOBSA-N 436.193 4.063 5 20 IIBD Cc1ccc(-n2nc(Br)cc2C(=O)N2CCc3c2cccc3[N+](=O)[O-])cc1 755330211 CYRJQXLSCUBPBT-UHFFFAOYSA-N 427.258 4.054 5 20 IIBD C[C@@H](OC(=O)Cc1ccc(F)c(F)c1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 756628806 JQELXMOBLTXYHM-LLVKDONJSA-N 447.419 4.109 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 756772439 IEECZLVFMUMQRO-NSHDSACASA-N 431.832 4.231 5 20 IIBD O=C(CNC(=O)c1sc2ccccc2c1Cl)NCc1cc([N+](=O)[O-])ccc1Cl 757000632 UCPVGRKCGSNLOS-UHFFFAOYSA-N 438.292 4.163 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Oc1ccc(-c2noc(-c3cccnc3)n2)cc1 759316363 YESUECJTYZAJEO-UHFFFAOYSA-N 441.403 4.336 5 20 IIBD O=C(Cc1csc(-c2cccc(F)c2)n1)O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 759935199 BHOLCMGTLNJHLH-SJORKVTESA-N 430.461 4.324 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)c1nnc(-c2cccs2)o1 763809791 HFPXZEUBCWJEOU-NSHDSACASA-N 435.483 4.363 5 20 IIBD C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1NC(=O)c1ccccc1[N+](=O)[O-] 765444540 ZAWGARZDMOSOMA-AWEZNQCLSA-N 434.408 4.246 5 20 IIBD CC[C@H](C[C@H](C)CO)NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 768882356 RWZYUWZDYLTBTP-UONOGXRCSA-N 433.892 4.027 5 20 IIBD CC(=O)[C@@H](Cc1ccc(F)cc1F)OC(=O)c1sc(Br)cc1[N+](=O)[O-] 773606037 ORGKANYBZVNTGC-GFCCVEGCSA-N 434.214 4.054 5 20 IIBD CCOc1cccc2c1OCC(C(=O)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])=C2 776136780 XOZSTSGSAQTKGE-QFIPXVFZSA-N 432.432 4.497 5 20 IIBD COc1ncc(/C=C/C(=O)N(CC(C)C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cn1 776347398 CLFXINUZHCCOFA-CMDGGOBGSA-N 439.497 4.219 5 20 IIBD COC(=O)[C@@](C)(NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 776402110 BDHFVGWPDUBEJR-KRWDZBQOSA-N 431.659 4.373 5 20 IIBD COc1cccc([C@@H]2[C@@H](C(=O)OCc3cc(Cl)ccc3[N+](=O)[O-])CC(=O)N2C2CC2)c1 776452691 BKNWBXOKQHUHKZ-GHTZIAJQSA-N 444.871 4.052 5 20 IIBD CC(C)(C)OC(=O)NCCc1ccc(CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc1 777975957 CEECSBJAPPQLGB-UHFFFAOYSA-N 449.454 4.070 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1 778196176 CZMPOVLVPQVGDY-KRWDZBQOSA-N 444.875 4.185 5 20 IIBD CCc1cnccc1CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 779002784 OPVDXHLMUYPBPP-UHFFFAOYSA-N 438.871 4.388 5 20 IIBD O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1 779891376 DWRXMFYUHBZKDE-GOSISDBHSA-N 428.432 4.323 5 20 IIBD O=C(COc1ccc(Oc2ccccn2)cc1)O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 780435200 AXTHGBPWPSLMRU-RTBURBONSA-N 438.440 4.085 5 20 IIBD O=C(O[C@@H]1CCN(c2ccccc2Cl)C1=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 781266794 AVIKZACVKGQXBY-OAQYLSRUSA-N 432.863 4.297 5 20 IIBD COc1cc(-c2noc([C@@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)n2)cc(Cl)c1OC 781609494 DGPBHSSEFPZEPL-INIZCTEOSA-N 430.804 4.181 5 20 IIBD COC(=O)[C@H](OC(=O)c1cccc([N+](=O)[O-])c1Br)c1cccc(Cl)c1 781678247 QALFJKRMQNRQEW-CQSZACIVSA-N 428.622 4.082 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCc1cc(F)ccc1Br 781736280 HUZWNFLJJPEQMO-UHFFFAOYSA-N 427.182 4.081 5 20 IIBD CN(Cc1nc(O)c2ccccc2n1)C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 781890020 TUIFZLGBVLOZSG-UHFFFAOYSA-N 444.447 4.095 5 20 IIBD CON(C)C(=O)c1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1 783229015 CLMVXBWOQPGMQX-UHFFFAOYSA-N 435.436 4.060 5 20 IIBD C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])s1 783593861 KLDCHZONTWVNBS-JTQLQIEISA-N 446.466 4.369 5 20 IIBD Cc1cc(CSc2ncccc2C(=O)OCc2ccc(N(C)C)c([N+](=O)[O-])c2)no1 784499225 RRAITXBAPJDCSX-UHFFFAOYSA-N 428.470 4.002 5 20 IIBD O=[N+]([O-])c1cccc([C@@H](O)CN[C@H](Cc2ccccn2)c2ccc(Br)cc2)c1 789447003 NRYOGVPODFJFFP-RTWAWAEBSA-N 442.313 4.359 5 20 IIBD C[C@@H](c1ccc(F)cc1)N(C)C(=O)COc1cc(F)c(Br)cc1[N+](=O)[O-] 790295032 AVRLSEJQHIBQPV-JTQLQIEISA-N 429.217 4.234 5 20 IIBD CN(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 790924186 WPMAAYMXKPPFPT-HZPDHXFCSA-N 431.222 4.110 5 20 IIBD CCOc1cc(O)ccc1NC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 791146616 ZZSQBQBPNUDBDU-UHFFFAOYSA-N 449.463 4.248 5 20 IIBD CCc1nc2ccccc2n1C1CCN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC1 791392874 PCLLWGMQZQCDOT-UHFFFAOYSA-N 439.491 4.189 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N(Cc1cccs1)C[C@H]1CCCO1 792804605 UKPGSHCZNXIZTM-GFCCVEGCSA-N 443.294 4.379 5 20 IIBD C[C@@H](OC(=O)c1ccc(Oc2ccccc2)cn1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 799551506 JJIXTVHSARKBHE-CYBMUJFWSA-N 425.372 4.105 5 20 IIBD C[C@H](OC(=O)[C@@H]1CCCC(F)(F)C1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 800283018 VRPUWEOPHHWAKC-WCQYABFASA-N 439.440 4.414 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(NS(=O)(=O)c2cc(Br)ccc2Cl)c1 800929957 CMRXBAYCLOQBPC-UHFFFAOYSA-N 426.075 4.465 5 20 IIBD O=C(COC(=O)c1cc(F)c(C(F)(F)F)cc1F)Nc1ccc(Cl)c([N+](=O)[O-])c1 805594470 HHKZDEKBFRIQLV-UHFFFAOYSA-N 438.692 4.341 5 20 IIBD C[C@H](Oc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)C(F)(F)F 809316678 OVSFUHGUFVKBMF-ZDUSSCGKSA-N 439.390 4.013 5 20 IIBD O=C(Cc1cccs1)Nc1nc(CC(=O)Nc2cccc([N+](=O)[O-])c2Cl)cs1 813244041 LDAZTJKLQKKBQJ-UHFFFAOYSA-N 436.902 4.129 5 20 IIBD Cc1nc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)ccc1-c1ccccc1 813277447 XMZIKWCZDINZOL-INIZCTEOSA-N 434.427 4.096 5 20 IIBD C[C@H](c1ccc(F)cc1)N1CC[C@@H](OC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1=O 815511304 DFGXWYAUGIOCJC-PIGZYNQJSA-N 440.349 4.272 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 816865543 RIXYYOCJFGYIBS-OAQYLSRUSA-N 447.535 4.201 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 914721532 OHTCZPWUTNLSFA-HNNXBMFYSA-N 444.221 4.423 5 20 IIBD C[C@@H](OC(=O)/C=C\c1ccccc1OC(F)(F)F)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 914941221 LVDJDMDMOVJTHE-DHHDDZJSSA-N 442.321 4.216 5 20 IIBD C[C@H]1CN(Cc2ccc(CNC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc2)C[C@@H](C)O1 915307741 RGAJGDKZJJEIPF-GASCZTMLSA-N 432.908 4.179 5 20 IIBD O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 916642114 JIWFDHLPZBTDAN-HSZRJFAPSA-N 434.471 4.355 5 20 IIBD C[C@H](NC(=O)COC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ccc(Br)cc1 917263465 PHLWNFKHRJOBQB-NSHDSACASA-N 447.241 4.138 5 20 IIBD CC(C)(C)OC(=O)N(CCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C1CC1 917301177 WYITWBNLVACEEC-UHFFFAOYSA-N 446.548 4.105 5 20 IIBD C[C@@H]1CN(c2ccc(NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)cc2F)C[C@@H](C)O1 918601332 XQRDUXWUEJOTDC-HZPDHXFCSA-N 430.480 4.178 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@H](C)c1cccc(Cl)c1 918765319 OXGIVIHVWPFGLS-ACJLOTCBSA-N 436.917 4.404 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 1262806845 QQLHPYPYIXWNNV-CQSZACIVSA-N 430.766 4.301 5 20 IIBD Cc1ccc(Cn2ncc3c(C(=O)N(C)Cc4ccccc4[N+](=O)[O-])cc(C)nc32)cc1 1317792324 IUBHCQSXZBDEIO-UHFFFAOYSA-N 429.480 4.277 5 20 IIBD O=Cc1ccc(-c2ccc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2)o1 1318574422 WKWDVKUGKXMIFX-UHFFFAOYSA-N 428.784 4.116 5 20 IIBD O=C(CCc1nc(-c2ccccc2)no1)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 1320649682 RMPBNUDRCOYVSX-JOCHJYFZSA-N 430.420 4.305 5 20 IIBD O=c1c2ccccc2c(-c2nnc(-c3cc(F)ccc3[N+](=O)[O-])o2)nn1Cc1ccccc1 1328168273 PQCLSCADCAJLTR-UHFFFAOYSA-N 443.394 4.209 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CCC2)cnc1C 1785748587 VQDRQCOUEUIAFM-UHFFFAOYSA-N 434.452 4.261 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3cccc4ccoc34)CCC2)cc1)c1nc[nH]c1[N+](=O)[O-] 1788614338 WNAOJKPLZZJPOM-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD COc1cc(C(=O)NC2(c3ccc(NC(=O)c4c[nH]cc4C)cc3)CCC2)ccc1[N+](=O)[O-] 1788732168 NODJWITUPFCFPZ-UHFFFAOYSA-N 448.479 4.301 5 20 IIBD CC(=O)NC1(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3Br)cc2)CCC1 1790636480 HKKHMKYTYWQNTE-UHFFFAOYSA-N 432.274 4.125 5 20 IIBD CC(C)CCC(=O)NC1(c2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc2)CCC1 1790757348 BGQYKHUHCCNYCB-UHFFFAOYSA-N 425.485 4.484 5 20 IIBD CC(C)(C)C(=O)NC1(c2ccc(NC(=O)Cc3cc(F)ccc3[N+](=O)[O-])cc2)CCC1 1792311152 WKXMHIJMTCIWAD-UHFFFAOYSA-N 427.476 4.457 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)ccc1Cl)c1ccc([N+](=O)[O-])cc1F 1800462653 YDCWFQHITNOFMR-BTTYYORXSA-N 449.841 4.092 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1)c1ccc2cc[nH]c2c1 1818484891 SCVCLJWDLBQCNR-KRWDZBQOSA-N 448.439 4.012 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2)CC1 1830023835 ACTFEHOQGNJVHF-GOSISDBHSA-N 445.903 4.388 5 20 IIBD Cc1c(Cl)cccc1C(=O)N1CCCC12CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])C2 1841158519 BLRFQPCWNNOZCL-ZHACJKMWSA-N 439.899 4.087 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccc3nccnc3c2)c2ccccc2)c([N+](=O)[O-])c1 9215320 CPJVBTVRCRCWGA-QFIPXVFZSA-N 442.431 4.383 5 20 IIBD C[C@H](Sc1nnc(NCCc2ccccc2)s1)C(=O)Nc1cccc([N+](=O)[O-])c1 10773080 XTNLBLBTLJFAAF-ZDUSSCGKSA-N 429.527 4.220 5 20 IIBD CNS(=O)(=O)c1ccc(NCc2ccc(Oc3ccc(F)cc3)cc2)c([N+](=O)[O-])c1 16738987 LPLKNLIQHQNINW-UHFFFAOYSA-N 431.445 4.046 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(C)c(C)c3)o2)c([N+](=O)[O-])c1 16833654 YDACVJHWWMPQMU-CYBMUJFWSA-N 428.470 4.390 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)C2(c3cccc(F)c3)CCCC2)c([N+](=O)[O-])c1 17017974 SOQXKDWTKGKWPS-AWEZNQCLSA-N 430.432 4.125 5 20 IIBD Cc1ccc(-n2c(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nnc2N2CCCC2)cc1 18062969 CSWNLMFFFVFGMU-UHFFFAOYSA-N 426.458 4.144 5 20 IIBD CCOc1cc(C(=O)OCC(=O)Nc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])cc1OC 19472781 ZTVZSQRURZANPG-UHFFFAOYSA-N 430.457 4.095 5 20 IIBD CCOC(=O)c1sc2nc(/C(Cl)=C/c3ccc(C)c([N+](=O)[O-])c3)[nH]c(=O)c2c1C 21190343 YYTUZYNHNIREOR-GHXNOFRVSA-N 433.873 4.423 5 20 IIBD O=C(COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccccc1[N+](=O)[O-] 28301894 RZJHZVBZRUJUAV-UHFFFAOYSA-N 436.264 4.428 5 20 IIBD Cc1c(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cnn1-c1ccc(Br)cc1 29888508 SQSJGQQHGZFROV-UHFFFAOYSA-N 427.258 4.054 5 20 IIBD COc1ccc([C@H](C)NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1Br 31419497 JHWFPETZCCZARQ-LBPRGKRZSA-N 445.273 4.043 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(C(N)=O)c(Cl)c2)cc1 33168608 YDPMCNWSGNRFFP-UHFFFAOYSA-N 441.827 4.400 5 20 IIBD CC(C)c1ccc(CNCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1[N+](=O)[O-] 61028993 YYADGURZPJAGOA-UHFFFAOYSA-N 431.558 4.183 5 20 IIBD Cc1ccc2nc(CNC(=O)c3ccc(N[C@H](C)c4ccccn4)c([N+](=O)[O-])c3)cn2c1 65103464 FXAOTGWUSXVBFY-MRXNPFEDSA-N 430.468 4.049 5 20 IIBD COc1ccc(CNCC2(c3ccc(Br)cc3)CCOCC2)cc1[N+](=O)[O-] 237365081 KETMMGWADUFTSJ-UHFFFAOYSA-N 435.318 4.204 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(CC(C)(C)C)nn1-c1ccccc1 409662742 COICVAHSLBNGTO-UHFFFAOYSA-N 444.513 4.179 5 20 IIBD COc1ccc(CN(C)C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1O 427237906 RTGQWOUDLIOTQF-HZPDHXFCSA-N 427.501 4.064 5 20 IIBD CCOc1cc(NC(=O)c2ccccc2COC2CCOCC2)c([N+](=O)[O-])cc1OCC 428510217 OZYSCFJXRHRVJI-UHFFFAOYSA-N 444.484 4.340 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@H]2Cc3cccc(O)c3C2)cc1 428557720 KNIZPFCPLHDMFA-FQEVSTJZSA-N 426.476 4.410 5 20 IIBD O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)c1cc2ccccc2c2cccnc12 429339189 ZMFJIPDNJQYTGQ-QFIPXVFZSA-N 425.532 4.409 5 20 IIBD CN(C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CC1 430422919 DSDQQLZHXNFMFL-KRWDZBQOSA-N 430.936 4.417 5 20 IIBD CCN([C@H](c1ccc(Cl)cc1)c1cccnc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 431903890 PYAFSPBAFDKTLP-HXUWFJFHSA-N 431.901 4.443 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3cc(SC)ccc3C)CC2)ccc1[N+](=O)[O-] 432359941 VAWUKKZEWHJZFN-UHFFFAOYSA-N 430.530 4.378 5 20 IIBD CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)c1[N+](=O)[O-] 435961707 COJOACCTCJXGRM-CYBMUJFWSA-N 425.258 4.320 5 20 IIBD Cc1nc(-c2cccc(NC(=O)C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)c2)cs1 437067275 CMERNKXZYLXEDC-UHFFFAOYSA-N 436.493 4.156 5 20 IIBD COCCOc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1OC 437145466 MLUIGYYOQNUNDW-LBPRGKRZSA-N 442.390 4.138 5 20 IIBD CCOc1ccc(-c2cn(C3CN(C(=O)c4ccc(C(C)C)c([N+](=O)[O-])c4)C3)nn2)cc1 439716806 CYDABNYGGLMIQY-UHFFFAOYSA-N 435.484 4.073 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCCC[C@@H]1c1nc2ccccc2o1 441682635 SXFAYPCACIKNSB-MRXNPFEDSA-N 428.832 4.082 5 20 IIBD COc1ccc([C@H](NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccccc2OC)cc1 443470991 XUVGAYOWRUZCMZ-DEOSSOPVSA-N 435.480 4.238 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cc1 443965882 KWVGZZXLAJZXDU-AWEZNQCLSA-N 426.775 4.110 5 20 IIBD COc1cccc(OCCCNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1 444070715 DWFJUPGWYZOKMR-UHFFFAOYSA-N 438.430 4.167 5 20 IIBD CCO[C@H]1C[C@@H](N(C)C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C12CCC2 444242172 UUJYWAJCCZAAIC-MOPGFXCFSA-N 426.463 4.379 5 20 IIBD CCOC(=O)c1cc(C(=O)N[C@@H](C)c2ccc(Br)s2)cc([N+](=O)[O-])c1 444358864 BCMHTBJUQJCGKM-VIFPVBQESA-N 427.276 4.087 5 20 IIBD O=C(CN[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc21 444801804 MPKXSKYUCOGBNZ-KRWDZBQOSA-N 431.773 4.170 5 20 IIBD O=C(NC[C@H](CO)Cc1c(F)cccc1Cl)c1cccc2c(=O)c3ccccc3[nH]c12 445003294 GCMQJKNDGQVSKZ-CQSZACIVSA-N 438.886 4.055 5 20 IIBD CC(C)(C)NC(=O)c1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 445268041 YLISBOHSGPFCLD-UHFFFAOYSA-N 426.292 4.199 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)n2)s1 445475145 WZHPRQJBYBRGKO-UHFFFAOYSA-N 446.441 4.313 5 20 IIBD CCOc1cc(C(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@@H]2C)c([N+](=O)[O-])cc1OC 446250460 UPSWRXQAPYGGRV-RNODOKPDSA-N 434.876 4.258 5 20 IIBD Cc1c(C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])nnn1-c1ccccc1 446423794 IEJTZWXUAIHIRR-UHFFFAOYSA-N 429.436 4.315 5 20 IIBD C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1cccc(N2CCCC2)c1 446480577 UBSVMRQFTKNBHN-AWEZNQCLSA-N 432.318 4.377 5 20 IIBD COC(=O)COc1ccc(CNc2ccc(C(=O)Nc3ccccc3)cc2)cc1[N+](=O)[O-] 446878390 XQKXADAWZXVWLV-UHFFFAOYSA-N 435.436 4.011 5 20 IIBD C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 461301228 LEWYQZHKTNYMPS-KUHUBIRLSA-N 427.432 4.032 5 20 IIBD Cc1nc(C(F)(F)F)sc1C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 461730342 SJIQEXIDQSOQOR-LBPRGKRZSA-N 445.419 4.191 5 20 IIBD C[C@H]1CCO[C@H]1c1nnc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1C[C@@H]1CCCCO1 461852022 OHEIGAUBAOCRKC-NBHGPNQESA-N 441.532 4.022 5 20 IIBD COc1cc(N[C@@H](C)c2ccc(Br)cc2OCCCO)ccc1[N+](=O)[O-] 461995713 ODINNXNJUUDNMB-LBPRGKRZSA-N 425.279 4.300 5 20 IIBD C[C@H]1C[C@@H]1c1ccc(CN(C2CC2)S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)o1 463679886 NEQBOAROYJEKOD-GUYCJALGSA-N 427.482 4.213 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 463959905 SQJDKGDJKGOQPF-FQEVSTJZSA-N 432.908 4.060 5 20 IIBD Cc1ccc(C)n1-c1nc(CC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cs1 464664079 YNEZHPNPGCZDNF-UHFFFAOYSA-N 440.525 4.071 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 467224269 USCJINRCXYAERD-SJORKVTESA-N 428.247 4.370 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)C1(Cc2ccccc2F)CC1)c1ccccc1[N+](=O)[O-] 467852588 QEYKBLSKSSWABW-LJQANCHMSA-N 428.460 4.256 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1[N+](=O)[O-])c1ccccn1 469387173 XMEUKFJQZWCUAX-HYFFOGBASA-N 434.500 4.083 5 20 IIBD COc1ccc(CNC(=O)Nc2ccc(N3CCCCC3)c3ncccc23)cc1[N+](=O)[O-] 471403516 CABSJJZKVXGQRV-UHFFFAOYSA-N 435.484 4.464 5 20 IIBD C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 473536961 ZNVOCYHLOJWANT-NMEJYPJZSA-N 432.545 4.112 5 20 IIBD O=C1CCC[C@@H]1[C@H]1COCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 475125505 SPTYQHBPUIAESQ-SJLPKXTDSA-N 449.301 4.187 5 20 IIBD COC(=O)[C@@H]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1C 475373257 PHGVFCYMWVHDPU-HTAPYJJXSA-N 434.496 4.079 5 20 IIBD COC(=O)c1cc(F)cc(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1F 478086033 XPOGJUQNVAVCNG-BETUJISGSA-N 447.438 4.394 5 20 IIBD COC(=O)c1nc([C@H]2CCCN2c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)sc1C 480588549 ZYGDDMOTTUCDOG-MRXNPFEDSA-N 439.497 4.253 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N(Cc1cccc(Br)c1)C1CC1 481566798 APZUAVCWMOOPTG-UHFFFAOYSA-N 441.285 4.348 5 20 IIBD CCc1c(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cnn1-c1ccccc1Cl 482769047 QIZNDKVVTLJEPA-UHFFFAOYSA-N 436.859 4.434 5 20 IIBD CN(C(=O)c1ccc2cc(I)ccc2n1)c1cccc([N+](=O)[O-])c1 483805491 JBXIFBOIZWYSBM-UHFFFAOYSA-N 433.205 4.024 5 20 IIBD O=C(NCCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1ccccc1F 484319700 RLXIGUDFICQPFP-UHFFFAOYSA-N 439.468 4.045 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 484416189 OSDLGXWYCQLLKS-IRXDYDNUSA-N 443.569 4.246 5 20 IIBD COC(=O)[C@H](C)N(C(=O)c1cc([N+](=O)[O-])ccc1C)c1ccc(Br)cc1C 484835455 ZWAYTHJRNFEUGU-ZDUSSCGKSA-N 435.274 4.182 5 20 IIBD COc1ccc(CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1OC1CCCC1 485253231 DHQKOFOWZZQWLU-UHFFFAOYSA-N 436.468 4.041 5 20 IIBD Cc1ccccc1C1(CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 486333654 RUFFTQLENGEAIH-UHFFFAOYSA-N 431.920 4.147 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(-c3cc(F)cc(F)c3)[nH]n2)c(C(F)(F)F)c1 486760855 SPKIXAXLJULKLC-UHFFFAOYSA-N 448.329 4.083 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)Nc1ccc(Cl)c(C(F)(F)F)c1 487875892 MPWHLAFBOHUURO-UHFFFAOYSA-N 425.750 4.221 5 20 IIBD CC[C@H](C)[C@@](C)(O)CNc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] 488239387 BHZAFWBGKFIJSD-KKSFZXQISA-N 435.546 4.221 5 20 IIBD CCN(CCCO)[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 489286583 CUTFVHZHCJAELX-FQEVSTJZSA-N 440.525 4.102 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)C2CCC2)cc1 489673487 IZLKPCMPPGQPOQ-UHFFFAOYSA-N 442.493 4.485 5 20 IIBD O=C(CN(Cc1cccc([N+](=O)[O-])c1)C1CC1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 490024388 HIHOYXYSHYINTB-HXUWFJFHSA-N 434.452 4.123 5 20 IIBD COc1c(F)cc(S(=O)(=O)N(Cc2cccc(F)c2)C2CCCC2)cc1[N+](=O)[O-] 490749533 CCGIBGAQXLVTHP-UHFFFAOYSA-N 426.441 4.015 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Nc2nnc(SCc3ccccc3)s2)cc1[N+](=O)[O-] 493108304 VNJLFISZQUZUSE-UHFFFAOYSA-N 436.540 4.156 5 20 IIBD CC(C)S(=O)(=O)Cc1cccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 494069143 MUHHFDRPZVPVLD-UHFFFAOYSA-N 431.514 4.115 5 20 IIBD O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 495499099 CTQHGEHYGQKKIU-INIZCTEOSA-N 436.493 4.209 5 20 IIBD C[C@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2n1C(F)F 497824584 NFCOFPPOHGXTOT-LBPRGKRZSA-N 440.410 4.231 5 20 IIBD CCn1cc(CNC(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)cn1 497825936 KEHRGVMADCKWAS-UHFFFAOYSA-N 447.854 4.395 5 20 IIBD Cc1noc(CSc2ccc(C(=O)N3CCS[C@H]3c3ccc([N+](=O)[O-])cc3)cc2)n1 498141213 WISPZZPRZYHRKE-FQEVSTJZSA-N 442.522 4.466 5 20 IIBD C[C@@]1(CN[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)CCOC1 500250652 AMKXIEWVZRWULA-ICSRJNTNSA-N 448.317 4.053 5 20 IIBD CCOc1cc(CN[C@@H]2CC[C@@H](C)C[C@H]2C)ccc1OCCn1c([N+](=O)[O-])cnc1C 500923960 VUPVYGUDVBQBGL-MBOZVWFJSA-N 430.549 4.492 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F 503147119 XIFPFRKLIGEBFX-UHFFFAOYSA-N 442.476 4.341 5 20 IIBD COc1ccc(N(C)C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c(OC)c1 505109492 VENWJAMBHVHNNE-HNNXBMFYSA-N 436.468 4.457 5 20 IIBD COc1cc(C(=O)N(CCN(C)C)C2CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 505637217 RWPNFKXSPGRJPI-UHFFFAOYSA-N 433.892 4.215 5 20 IIBD COc1ccc(CN(c2ccncc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 508353556 DMABLSGOXIDDJV-UHFFFAOYSA-N 433.873 4.047 5 20 IIBD CCOC(=O)C1CCC(N(CC)C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 511934408 KEZXYUDZNUBPHA-PGYGNJIDSA-N 445.560 4.415 5 20 IIBD Cc1cccc(Oc2ccccc2NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)c1 512101898 VVJKQWKRCSQNCW-UHFFFAOYSA-N 433.420 4.060 5 20 IIBD Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)cc1OC(F)F 513748384 FGEOLAWMULULIT-UHFFFAOYSA-N 427.429 4.033 5 20 IIBD CCc1c(C(=O)N2CCCc3c2cccc3[N+](=O)[O-])nnn1-c1ccc(OC(C)C)cc1 513833411 BVDPJNWLAHTEIW-UHFFFAOYSA-N 435.484 4.118 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N[C@@H](CO)CC1CCCC1 513940162 MUFZJEDGDKEGTO-OAQYLSRUSA-N 448.523 4.047 5 20 IIBD Cc1cc(F)ccc1NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 515110221 BNILIYZTKHIJRI-UHFFFAOYSA-N 426.370 4.415 5 20 IIBD Cc1nn(-c2ccccc2)c2nc(C(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCCO4)ccc12 516448453 XPPZZXHYCONVCJ-UHFFFAOYSA-N 445.435 4.051 5 20 IIBD CCCn1c(Sc2nccc(C(N)=O)c2[N+](=O)[O-])nc2ccc(C(F)(F)F)cc21 518631006 LWOHTDXOCCYYTC-UHFFFAOYSA-N 425.392 4.018 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1 520112914 GOWGVCIJRMXKIJ-UHFFFAOYSA-N 430.392 4.217 5 20 IIBD O=C(CCCc1ccc2c(c1)-c1ccccc1C2)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 520317459 YMBASAKQVBCQLP-UHFFFAOYSA-N 442.519 4.233 5 20 IIBD CCCN(CCC)C(=O)c1ccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1 520684703 JTORONTXQSVMGV-UHFFFAOYSA-N 435.484 4.295 5 20 IIBD COC(=O)CNC(=O)c1ccc(NCc2cccc(-c3cccc(C)c3)c2)c([N+](=O)[O-])c1 524222016 YHBRXPDYTGTHPL-UHFFFAOYSA-N 433.464 4.085 5 20 IIBD C[C@H]1CN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc2NC1=O 525662818 NCKIQEDMDFIPTC-LBPRGKRZSA-N 436.390 4.037 5 20 IIBD Cc1ccc([C@@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])c2ccc(F)cc2Cl)cc1 525687848 XCRSSPJLRKGABG-GOSISDBHSA-N 435.864 4.159 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2CCC[C@H]2c2ccccn2)c([N+](=O)[O-])c1 531146707 DVDLAZJMDAYOSJ-FQEVSTJZSA-N 431.448 4.349 5 20 IIBD Cn1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)cc1C(N)=O 531536679 BQHYVRUQIVVSEF-UHFFFAOYSA-N 430.873 4.089 5 20 IIBD CN1CCC(N(C)[C@H]2CCCC[C@H]2N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 535089472 MRWNIPZLZHONDM-VQTJNVASSA-N 437.972 4.049 5 20 IIBD O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)c1c[nH]c2cccc([N+](=O)[O-])c12 535698185 GZOUCOQMNUHYTO-UHFFFAOYSA-N 436.449 4.129 5 20 IIBD C[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1cc(F)c(Cl)cc1Cl 539241137 ALILBEWKJDXIOS-MRVPVSSYSA-N 430.219 4.059 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C)c(SCC(N)=O)s1 539647357 BARWLEHPBDXVAW-UHFFFAOYSA-N 440.572 4.082 5 20 IIBD Cc1cc(F)c(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c(I)c1 540000984 PFDYYYDFBALSJI-UHFFFAOYSA-N 446.241 4.378 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 540239483 COEKZVDRDFDGFP-VFVRVIDISA-N 436.306 4.494 5 20 IIBD CCc1ccc(-c2noc([C@@H](C)NCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)n2)cc1 543549739 WXCMAYJIQBAUBW-GFCCVEGCSA-N 429.864 4.150 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1C(=O)c1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 545852932 RRVJGBAWKOTEBD-UHFFFAOYSA-N 442.435 4.083 5 20 IIBD CC[C@H](c1ccc(Br)cc1)c1noc(CCn2nc(C)c([N+](=O)[O-])c2C)n1 547225106 DKDNEQUABQYGFB-OAHLLOKOSA-N 434.294 4.338 5 20 IIBD CC(C)CNC(=O)c1ccc(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1Cl 548942666 CDBFGPASEHLHIK-UHFFFAOYSA-N 432.908 4.340 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N(CCOC)Cc2ccc(Br)s2)c1 548997151 SCPCRDTXKZPKHA-UHFFFAOYSA-N 443.319 4.106 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC(OCc2ccccc2)CC1 550198307 XAUGORKTBMTMMD-UHFFFAOYSA-N 433.302 4.487 5 20 IIBD Cc1c(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cccc1-c1ncco1 552710525 YFPCWKHLUKQLNF-UHFFFAOYSA-N 436.453 4.090 5 20 IIBD O=C1[C@H](Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CCN1c1cccc([N+](=O)[O-])c1 558593755 WQOREXZTCSWWET-QGZVFWFLSA-N 431.374 4.017 5 20 IIBD C[C@@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])c1nc(-c2ccc(Br)cc2)cs1 558597104 WWKXECSDOUORSM-SECBINFHSA-N 448.302 4.148 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCCn1c(C)nc2ccccc21 559517739 WOZVHQAGIZSBGC-UHFFFAOYSA-N 431.290 4.144 5 20 IIBD C[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H](c2cccc(C(F)(F)F)c2)O1 561443207 ITNMATINDRTMPY-DIFFPNOSSA-N 434.374 4.092 5 20 IIBD COc1ccc(CSCC(=O)N2CCCn3c(cc4ccccc43)C2)cc1[N+](=O)[O-] 569275028 VHMBIKUORLXBQE-UHFFFAOYSA-N 425.510 4.224 5 20 IIBD CCc1c(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cnn1-c1ccccc1Cl 570022161 FOCJKOSBVJGEFX-UHFFFAOYSA-N 428.832 4.020 5 20 IIBD COc1cc(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c([N+](=O)[O-])cc1OCC(F)(F)F 571218463 NVRGFPJZKULJKD-YJBOKZPZSA-N 430.423 4.078 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NC1CC(C(F)(F)F)C1 575018011 ODPVIWOLQKGEBK-UHFFFAOYSA-N 444.413 4.447 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1[N+](=O)[O-] 575101940 FXQGECILXOVORQ-UHFFFAOYSA-N 444.366 4.048 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCN(c2ccccc2Cl)C1 575793032 DLSIENJAZAKSLZ-CYBMUJFWSA-N 427.810 4.410 5 20 IIBD Cc1c(Br)cc(C(=O)N[C@H]2c3ccccc3CC23CCOCC3)cc1[N+](=O)[O-] 579774743 XNQRASXFBQYXHI-IBGZPJMESA-N 445.313 4.490 5 20 IIBD Cc1ccc(C)c(Oc2ccc(CNC(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)cn2)c1 583479248 WJLOWXOBHRXPMK-UHFFFAOYSA-N 446.467 4.275 5 20 IIBD COC(=O)c1ccc(-c2ccc(/C=C3\CCn4c3nc3ccc([N+](=O)[O-])cc3c4=O)o2)cc1 603781432 WOJWRLFWEKZPDP-FOWTUZBSSA-N 443.415 4.296 5 20 IIBD O=[N+]([O-])c1ccc(NCc2ccc(-c3ccccc3)o2)c(S(=O)(=O)N2CCCC2)c1 603870526 UQRHOQKTDSEEFA-UHFFFAOYSA-N 427.482 4.251 5 20 IIBD Cc1sc(NC(=O)CCCNC(=O)c2ccsc2)nc1-c1cccc([N+](=O)[O-])c1 603996981 KIILHWBNHCREOV-UHFFFAOYSA-N 430.511 4.237 5 20 IIBD CCc1noc(-c2ccc(CCNC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)cc2)n1 609023630 ODYZKTBRYLJZFJ-AWEZNQCLSA-N 426.498 4.047 5 20 IIBD CCOC(=O)c1cc(-c2nc(-c3cccc(Cn4nc(C)cc4C)c3)no2)cc([N+](=O)[O-])c1 609475735 DRCQLYPIHIBSQV-UHFFFAOYSA-N 447.451 4.350 5 20 IIBD CC(C)CCSc1ccc(C(=O)N[C@@H](C)c2nnnn2-c2ccccc2)cc1[N+](=O)[O-] 609657632 NFBFMGXCLDSBIS-HNNXBMFYSA-N 440.529 4.200 5 20 IIBD O=C(CCNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)NCc1ccccc1 609773295 VLZQYGFSJZNMHE-UHFFFAOYSA-N 434.452 4.215 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(C)ccc1SCC(F)(F)F 609911291 YTSRAXYHJHWVRR-UHFFFAOYSA-N 436.433 4.367 5 20 IIBD C[C@H](NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccsc1 619762539 WVPDZDPHYLPLPP-LBPRGKRZSA-N 428.436 4.268 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1 726916228 OIQFQGVGJVZMBB-NJGYHNCTSA-N 431.851 4.420 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 726929344 BPPIWWIZKVXCMB-UHFFFAOYSA-N 448.766 4.118 5 20 IIBD O=C(Oc1ccc(O[C@H]2CCCCNC2=O)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 727636677 WYQSPZPPCYYRCL-KRWDZBQOSA-N 426.450 4.076 5 20 IIBD COc1ccc(CC(=O)O[C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)cc1[N+](=O)[O-] 727882349 GCUXETRDRPKPAN-QHCPKHFHSA-N 434.448 4.378 5 20 IIBD CC(C)(C)OC(=O)NCc1cccc(OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 730258346 CVZMZNWXIKAJDS-UHFFFAOYSA-N 435.864 4.290 5 20 IIBD C[C@H](OC(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 730630291 HPCVFIRKGXBACW-LBPRGKRZSA-N 447.419 4.265 5 20 IIBD CN(C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 731288577 VMMWPQQTFQGIJE-MSOLQXFVSA-N 444.896 4.352 5 20 IIBD Cc1nc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)sc1-c1ccccc1 731969527 MWGDTAHXGIRCNK-AWEZNQCLSA-N 442.522 4.332 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)[C@H]1C[C@H]2CC[C@H]1O2 733836752 PAOBOHWEAKTJNR-WTLGNFPFSA-N 430.844 4.039 5 20 IIBD O=[N+]([O-])c1ccc(Oc2cccc(NS(=O)(=O)c3c(F)cccc3[N+](=O)[O-])c2)cc1 735268059 XVBUMVCKMPGVBH-UHFFFAOYSA-N 433.373 4.235 5 20 IIBD C[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ncc(-c2ccccc2)o1 741322740 DIOSFZPPQOISQZ-DZGCQCFKSA-N 439.399 4.046 5 20 IIBD Cc1c(C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748833640 ATOHYLQUZZFIIA-NSHDSACASA-N 433.490 4.061 5 20 IIBD O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccc(Cl)c1[N+](=O)[O-] 750184244 HUQIEJXIVCYJRW-UHFFFAOYSA-N 429.782 4.356 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] 751416676 IYWWEQUKFXMZQA-QZTJIDSGSA-N 447.532 4.144 5 20 IIBD Cc1c(Br)cc(C(=O)Oc2ccc(C(=O)N3CCCC3)cc2)cc1[N+](=O)[O-] 753137239 OFMBDUBYLMXFJX-UHFFFAOYSA-N 433.258 4.121 5 20 IIBD COc1cc(/C=C\C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)ccc1OCc1c(C)noc1C 753344776 AAYPVMSLBDVTIK-POHAHGRESA-N 438.440 4.143 5 20 IIBD CCOc1cc(COC(=O)Cc2csc(NC(=O)c3cccs3)n2)ccc1[N+](=O)[O-] 755520696 RFZMSONYMJHFRB-UHFFFAOYSA-N 447.494 4.050 5 20 IIBD CCCN(C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C1CCN(C(=O)OC(C)(C)C)CC1 755529434 HLBRTBZAIGBRJR-OAHLLOKOSA-N 437.512 4.476 5 20 IIBD C[C@@H](OC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(Cc2ccccc2)C1 755868342 HUDZXVBYKJJXQM-XLIONFOSSA-N 434.496 4.063 5 20 IIBD CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1cccc([N+](=O)[O-])c1Br 758341591 KVYIEUUTZXTSNE-GOSISDBHSA-N 444.326 4.027 5 20 IIBD CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1OCC(=O)N1CCCC1 764202886 VCEJLJBTLWFOQY-GOSISDBHSA-N 445.903 4.131 5 20 IIBD COc1cc(COC(=O)C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1F 766210723 VPKZJOPGOHUVCX-UHFFFAOYSA-N 428.457 4.115 5 20 IIBD O=C(O[C@@H]1CCOC[C@@H]1OCc1ccccc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 766993206 AAXJYQHFURHQLV-MSOLQXFVSA-N 425.359 4.145 5 20 IIBD CCS[C@H](C)c1noc(COC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)n1 767239076 BAMGRLQVOPGFRO-CQSZACIVSA-N 434.518 4.385 5 20 IIBD O=C(NC[C@H](O)c1cccnc1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 768291637 AOERZERRQUKTTQ-SFHVURJKSA-N 429.885 4.258 5 20 IIBD COc1cc(C)c([C@@H](C)OC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1C 770025982 ILZOVTRZYCQNPU-CQSZACIVSA-N 442.497 4.418 5 20 IIBD CSc1cccc(NC(=O)[C@H](C)OC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 770157390 NZIRVYNJZPGXBJ-JTQLQIEISA-N 439.287 4.263 5 20 IIBD C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 770373644 JNDSSLQKQDXISV-GJZGRUSLSA-N 432.546 4.453 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)[C@H](O)c1c(Cl)cccc1Cl 771719922 UPLBGMRIOBNAGY-BUXKBTBVSA-N 438.311 4.354 5 20 IIBD Cc1cc(S(=O)(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)cc([N+](=O)[O-])c1F 771733131 UZOQQSSKCBNBNN-OAHLLOKOSA-N 445.472 4.056 5 20 IIBD CC(C)[C@@H](OC(=O)c1sc(Br)cc1[N+](=O)[O-])C(=O)N1CCCC[C@@H]1C 773604961 LFBICEOXYAQETI-GXFFZTMASA-N 433.324 4.001 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1 773773559 NYTJECCSZAUPGF-UHFFFAOYSA-N 441.793 4.401 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 777930846 MVZYUEROSSTWKE-SNVBAGLBSA-N 432.830 4.386 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCC(CCCn2ccnc2)CC1 782973886 JRWFCTJNJMBXQS-UHFFFAOYSA-N 427.383 4.415 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 783320167 LWRLZJNFSRXNFS-IBGZPJMESA-N 426.860 4.422 5 20 IIBD Cc1ccc(NC(=O)C(=O)Nc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)cc1[N+](=O)[O-] 785015720 PKLSLUOUHDQDGJ-CQSZACIVSA-N 442.472 4.066 5 20 IIBD COc1ccc(CC(=O)OCc2ccc(Br)c3cccnc23)cc1[N+](=O)[O-] 785296413 KIJGHXKCUHXJAT-UHFFFAOYSA-N 431.242 4.200 5 20 IIBD O=C(c1cc(-c2ccccc2)nc2ccccc12)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 785334429 CHDUUQMBANQDDI-UHFFFAOYSA-N 427.464 4.484 5 20 IIBD C[C@@H](CC(=O)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1c[nH]c2ccccc12 786354079 HCOYESAEQDWYPW-ZDUSSCGKSA-N 429.860 4.196 5 20 IIBD O=C(NC[C@@H](O)c1ccc(Cl)cc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 786920415 ZYLJGOJWUGXBES-OAQYLSRUSA-N 426.856 4.291 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(COc2ccc(Cl)nc2)CC1 789312256 PWFOLTPWTHMHNO-UHFFFAOYSA-N 432.908 4.071 5 20 IIBD CC(C)c1c(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cnn1-c1ccccc1Cl 790421739 PKQVFKNHONFYSY-UHFFFAOYSA-N 426.907 4.420 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])OCc1nc(-c2cccc(Cl)c2)no1 790745920 NKKPNTOUJCJLLN-UHFFFAOYSA-N 426.187 4.377 5 20 IIBD CCc1c(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cnn1-c1cccc(Cl)c1 791585488 XVAFSEBXQUWTOQ-HXUWFJFHSA-N 439.859 4.128 5 20 IIBD CN(Cc1ccc(OC(F)F)cc1)C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 792958749 IVBUJVMGHPDEMC-UHFFFAOYSA-N 435.427 4.091 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 798541993 CCKQOBFMBBCVGM-KRWDZBQOSA-N 429.473 4.241 5 20 IIBD C[C@@]1(C2CC2)NC(=O)N(c2ccc(CNc3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2)C1=O 804701466 SHLWHKVYOUBBMG-FQEVSTJZSA-N 448.401 4.451 5 20 IIBD O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)Nc1ccc(-c2ccccc2)cc1F 808968615 UJEOKVBTSOQOTL-UHFFFAOYSA-N 446.438 4.180 5 20 IIBD O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)Nc1cccc([N+](=O)[O-])c1Cl 809914264 CMPDWBOWFPBFQJ-KRWDZBQOSA-N 439.299 4.097 5 20 IIBD CCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)cc1[N+](=O)[O-] 809931499 FKPXRPRYXGLMCT-UHFFFAOYSA-N 435.392 4.385 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl 811722439 JXWWQPDPUXNPAN-UHFFFAOYSA-N 433.269 4.051 5 20 IIBD COC(=O)c1ccc(Cl)c(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)c1 813139956 AZHUSOQGYWLDDR-UHFFFAOYSA-N 431.857 4.435 5 20 IIBD O=C(COC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)NCc1ccco1 849192426 INWOWWUHLIPNOX-UHFFFAOYSA-N 430.800 4.107 5 20 IIBD Cc1cc(NCc2c(Br)cccc2[N+](=O)[O-])ccc1-n1nnnc1C(C)C 864034135 WPDRUZUARBDAGP-UHFFFAOYSA-N 431.294 4.377 5 20 IIBD C[C@H](NC(=O)COC(=O)CCOc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 915451303 YBXTXFYEABEPQD-LBPRGKRZSA-N 441.267 4.091 5 20 IIBD CC(C)(C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(Br)cc1 915586080 RWPWBLXKKRWNDM-UHFFFAOYSA-N 436.258 4.245 5 20 IIBD CCNC(=O)c1ccc(Cl)cc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 916499281 NBFQXGQGZLABIZ-UHFFFAOYSA-N 433.895 4.197 5 20 IIBD C[C@H](OC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C(=O)N1CCCCC1 916613024 OABAFHPJHJYVOT-HNNXBMFYSA-N 445.903 4.418 5 20 IIBD COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1cccc([N+](=O)[O-])c1 916827468 PCRGFLLHCFYQFL-UHFFFAOYSA-N 436.380 4.016 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCc1ccc(OCC(F)(F)F)nc1 917065064 RKKWJGMFKCAGOB-UHFFFAOYSA-N 440.256 4.470 5 20 IIBD CCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc1OC 917123422 YZFFOUYVAJRZEQ-UHFFFAOYSA-N 427.501 4.168 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(C(=S)Nc3ccccc3Oc3ccccc3)CC2)cn1 917577110 RUGOJQOCPKNSOQ-UHFFFAOYSA-N 435.509 4.301 5 20 IIBD COc1ccc(CCC(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cc1 918636156 DXURSNIARWPGSD-FQEVSTJZSA-N 440.496 4.164 5 20 IIBD Cc1cc(C(=O)NCCN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)cc([N+](=O)[O-])c1 920840504 ZSCGZNFZUIWNDY-LICLKQGHSA-N 445.884 4.023 5 20 IIBD CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Oc2cc(Cl)ccc2[N+](=O)[O-])c1 921136235 FDRULOGFIXJJON-UHFFFAOYSA-N 446.868 4.293 5 20 IIBD O=C(COC(=O)CCCOc1cccc(Cl)c1Cl)Nc1cccc([N+](=O)[O-])c1 921221212 FNXCVAJCMNBASF-UHFFFAOYSA-N 427.240 4.243 5 20 IIBD O=C(OCC(=O)N(CC(F)(F)F)c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1F 1317936287 DDVWEOIQBVKXDR-UHFFFAOYSA-N 434.729 4.140 5 20 IIBD O=C(COC(=O)c1ccc(Oc2ccc(Cl)cn2)cc1)Nc1ccc(F)c([N+](=O)[O-])c1 1318715902 ABRYQCOPAKYGSQ-UHFFFAOYSA-N 445.790 4.370 5 20 IIBD O=C(Nc1ccc(SC(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1N1CCOCC1 1319852688 CMANIKDHQMAMCQ-UHFFFAOYSA-N 427.404 4.296 5 20 IIBD COc1ccc(Cc2nnc([C@H](C)Oc3cccc(Br)c3)o2)cc1[N+](=O)[O-] 1322216030 KQNQCHAEZJUDFD-NSHDSACASA-N 434.246 4.480 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2-c2nnc(COc3ccccc3[N+](=O)[O-])o2)CC1 1323963322 KWSGJMUZCDVQBJ-UHFFFAOYSA-N 439.428 4.368 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)O[C@@H]2CCCC[C@H]2C(F)(F)F)cc1[N+](=O)[O-] 1515054088 JWWXDSMYHQJLHB-DGCLKSJQSA-N 430.408 4.152 5 20 IIBD CSCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1 1785748702 LPDBFLPEZNZWPB-UHFFFAOYSA-N 431.514 4.325 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)CCc4ccco4)cc3)CCC2)ncc1[N+](=O)[O-] 1786902468 WCDRVIHGRJOBHF-UHFFFAOYSA-N 448.479 4.272 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)cc1F)c1cc(F)cc([N+](=O)[O-])c1 1792723682 BTDZFDWQBQCZPU-MUJYYYPQSA-N 449.841 4.092 5 20 IIBD Cc1cc(C)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C3)c(C)c1 1803567491 SCQMPHNAJFSREP-BCDXTJNWSA-N 439.487 4.225 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@@H]2CCCCN2C(=O)CSC2CCCC2)CC1 1824474859 NSMWNQVDBQEMFM-SFHVURJKSA-N 449.573 4.097 5 20 IIBD C/C=C/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1831360889 QGHJFTLBQOVOSL-NFBQHBFUSA-N 439.556 4.279 5 20 IIBD CC(C)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1831382563 PPEJJNIOQKPHGP-OAQYLSRUSA-N 433.524 4.403 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)CC2CCC(C)(C)CC2)C1 1845258389 GETZTSULGNMJQF-UHFFFAOYSA-N 443.544 4.032 5 20 IIBD Cc1cc(CCCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CC2CCCC2)c([N+](=O)[O-])cc1F 1847713384 DTBJSJGVNSAVNT-SFTDATJTSA-N 445.535 4.147 5 20 IIBD O=C(COc1ccc(Br)cc1Br)Nc1cc([N+](=O)[O-])ccc1F 3515866 HKJWAFAHUGOOGJ-UHFFFAOYSA-N 448.042 4.276 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCc3coc(-c4cccs4)n3)cc2)c(C)c1[N+](=O)[O-] 10879659 HUBVKTSIEWCEBL-UHFFFAOYSA-N 437.481 4.103 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2ccc(Br)cc2)c1 16196499 OOLLBDJCHHJXCS-JTQLQIEISA-N 439.287 4.263 5 20 IIBD Cc1nc(-c2cccs2)c(CC(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)s1 22037228 HHZFYUQSATVZBI-NSHDSACASA-N 431.495 4.201 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2c(C)cc(=O)oc2C)c2ccccc2)c([N+](=O)[O-])c1 26009244 UFVOWEOXIUHYJX-OAQYLSRUSA-N 436.420 4.010 5 20 IIBD O=[N+]([O-])c1ccc(Sc2ncc(-c3ccc(F)cc3)[nH]2)c(S(=O)(=O)N2CCCC2)c1 29843090 ADJNSCRCJWMKHU-UHFFFAOYSA-N 448.501 4.060 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(C(N)=O)c(Cl)c3)cc2[N+](=O)[O-])C1 31954985 KAWCRWJGLVSCGM-CHWSQXEVSA-N 430.892 4.082 5 20 IIBD Cn1cc(C(=O)NCc2cccc(CN3CCCCCC3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 61503482 WPDPJZZVVXVMIK-UHFFFAOYSA-N 447.539 4.301 5 20 IIBD CNC(=O)c1ccc(Sc2nnc(-c3cccnc3)n2-c2ccccc2C)c([N+](=O)[O-])c1 64905312 SQSPCKVQEDGVHE-UHFFFAOYSA-N 446.492 4.057 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NC2CCN(CC3CCCCC3)CC2)c([N+](=O)[O-])c1 65946384 SLASDHQWPHACGF-UHFFFAOYSA-N 425.533 4.016 5 20 IIBD Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)CCNc1ccccc1[N+](=O)[O-] 105714553 OXSPIVUBGQQVQV-UHFFFAOYSA-N 434.500 4.329 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)cc([N+](=O)[O-])c1 107624839 ULGFWZHEHWAMBW-UHFFFAOYSA-N 443.431 4.292 5 20 IIBD C[C@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)Oc1ccccc1Cl 301447853 KKVPMZIWSGJOMS-GFCCVEGCSA-N 435.267 4.327 5 20 IIBD CCCCS(=O)(=O)Nc1ccc(Nc2ncc([N+](=O)[O-])cc2Br)cc1 301513661 DREZMDCIKQFNAO-UHFFFAOYSA-N 429.296 4.038 5 20 IIBD CNC(=O)c1ccc(Sc2nnc(-c3ccncc3)n2C2CCCCC2)c([N+](=O)[O-])c1 301702590 GYRSUPJYSBOCMW-UHFFFAOYSA-N 438.513 4.264 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N[C@H]1CCOC2(CCCCC2)C1 301708023 TUXQTYBQVIMTOI-KRWDZBQOSA-N 437.562 4.063 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 302674908 TYJSSHMJIFWVGC-AWEZNQCLSA-N 445.324 4.353 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)NCCCNc2ccccc2)cc1[N+](=O)[O-] 303417612 WUXKWCVSCGNXPA-UHFFFAOYSA-N 446.507 4.124 5 20 IIBD C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 303780105 CUHPUKILZCTKGO-OAQYLSRUSA-N 439.559 4.278 5 20 IIBD CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H](c1ccc(Cl)cc1)c1cnccn1 426869272 PPKZSRPCPKJYTF-HXUWFJFHSA-N 436.859 4.310 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 427453983 VBCBSPMJGSSTLJ-CQSZACIVSA-N 442.859 4.327 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)Nc2ccc(CS(=O)(=O)C(C)(C)C)cc2)cc1[N+](=O)[O-] 429079791 JEVINQRLXURBAB-OAHLLOKOSA-N 433.530 4.499 5 20 IIBD CC(C)(NCC(=O)Nc1c(F)cc(F)cc1Br)c1ccccc1[N+](=O)[O-] 429268827 ABRLCKJLXLEFMN-UHFFFAOYSA-N 428.233 4.099 5 20 IIBD O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H]1c1ccc(Br)c(F)c1 430215816 HNGCIHUBTHEDJB-YOEHRIQHSA-N 439.281 4.073 5 20 IIBD O=C(NCCCc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435524109 CQZOBVPZMGUYBA-UHFFFAOYSA-N 441.534 4.495 5 20 IIBD O=C(NCc1cccc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)c1)Nc1ccccc1 435794783 NZPOBOYYVOZZNV-UHFFFAOYSA-N 435.436 4.362 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSCc1nc(-c2ccccc2F)no1 435973136 QOMKLUBLWZPHKK-UHFFFAOYSA-N 430.417 4.015 5 20 IIBD CC[C@H](C)[C@@H](NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-])C(F)(F)F 436168647 FMMJPXRNYWMFIH-MGPLVRAMSA-N 447.435 4.346 5 20 IIBD COc1cccc(-c2noc([C@H](C)NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)c1 437147733 OGLCXUDYNPGCRL-STQMWFEESA-N 428.470 4.011 5 20 IIBD Cc1c(CS(=O)(=O)Cc2nnc(-c3ccc(Cl)cc3Cl)o2)cccc1[N+](=O)[O-] 437245392 PUKKYZFJLWOGDQ-UHFFFAOYSA-N 442.280 4.375 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN[C@H](CO)Cc3ccccc3)o2)c(Br)c1 438352430 HKGTZTPBNUBUNK-HNNXBMFYSA-N 431.286 4.311 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1cccc(CCC(F)(F)F)c1 438663588 DSVHVRYHZILNKU-UHFFFAOYSA-N 437.418 4.465 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 439886603 DRBFHQUHXBYSLY-HNNXBMFYSA-N 444.488 4.119 5 20 IIBD CCCN(C(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21)c1cccc([N+](=O)[O-])c1 441438790 NABSNZOCLLUTGH-MRXNPFEDSA-N 432.274 4.226 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O 443960883 QKICOZGNXYSIKL-MRXNPFEDSA-N 448.426 4.130 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCO[C@H](c2ccsc2)C1 444231005 BBXTWXGANSWOBA-SFHVURJKSA-N 426.444 4.235 5 20 IIBD Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444629298 CJGDTDHHOCGIEP-UHFFFAOYSA-N 427.873 4.486 5 20 IIBD CCCCOc1ccc(-c2nnc(NS(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)o2)cc1 446774240 CJFDPTQPIXTVMX-UHFFFAOYSA-N 446.485 4.241 5 20 IIBD CC(C)N(Cc1cccc(Br)c1)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 446893577 UOLZVDWKYLLCMT-UHFFFAOYSA-N 446.305 4.354 5 20 IIBD COc1cccc(Oc2ncccc2CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 447410858 XIGGXGFZXCAGIN-UHFFFAOYSA-N 434.452 4.059 5 20 IIBD COc1ccc(-c2ccc(CNC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)cc2)cc1 460559649 AUEYQIGFXFVUEE-UHFFFAOYSA-N 428.448 4.386 5 20 IIBD CCN(Cc1c(F)cccc1F)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 461524089 OBTBAVHUEKRHEJ-HNNXBMFYSA-N 443.454 4.195 5 20 IIBD Cc1nc(C)c([C@H](C)N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@H]2CCOC2)s1 461641775 SEGMVHDNOFTHKS-GOEBONIOSA-N 442.545 4.161 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCCO1 461869529 ICCVUITXXYVEOR-FQEVSTJZSA-N 441.557 4.087 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCc2ccccc2[C@H]1c1ccccc1 465139250 MBAZXLBLUMJQCX-RUZDIDTESA-N 430.460 4.083 5 20 IIBD CCO[C@H]1COCC[C@@H]1NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 466736569 XADWZVKUDGCKJI-IRXDYDNUSA-N 436.917 4.323 5 20 IIBD C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 466894934 XAEYBJOKJSHHJB-BPQIPLTHSA-N 427.526 4.056 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])c(C2CC2)n1)N1N=C(c2cccs2)C[C@H]1c1cccs1 468116062 VJCHIUNAJZDYPK-AWEZNQCLSA-N 427.511 4.170 5 20 IIBD Cc1cc(C)n(-c2ccc([C@@H](C)NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)n1 469253603 XILZOXSLUKLEFP-CQSZACIVSA-N 434.905 4.090 5 20 IIBD CCOc1cc(C(=O)N[C@@H](C)c2nc(-c3ccc(CC)cc3)no2)c([N+](=O)[O-])cc1OC 472385172 IEPXOFHIUHESQL-ZDUSSCGKSA-N 440.456 4.106 5 20 IIBD CC1CCN(c2ccc(C(=O)N(C)[C@H](C)c3ccc([S@](C)=O)cc3)cc2[N+](=O)[O-])CC1 473555650 VNUCITYLWSBNES-INZIPBBXSA-N 443.569 4.402 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H](CO)c1c(Cl)cccc1Cl 474672687 YUOWYCNBXXUEBD-AWEZNQCLSA-N 432.691 4.130 5 20 IIBD CCOc1ccc(C(=O)N(Cc2ccc(OC)cc2OC)c2nccs2)cc1[N+](=O)[O-] 474746371 CQXVQRNWKSISGF-UHFFFAOYSA-N 443.481 4.314 5 20 IIBD COC(=O)C[C@](C)(NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccncc1 475086282 GSFORGZRIJQGRI-NRFANRHFSA-N 429.860 4.471 5 20 IIBD Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)NCc1ccccc1[N+](=O)[O-] 477171065 ZEBMLVHXOYJSOK-UHFFFAOYSA-N 443.301 4.149 5 20 IIBD C[C@@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1ccc(Br)cn1 477771410 CQQPNYKQTSSEAN-LLVKDONJSA-N 440.272 4.469 5 20 IIBD O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 479235007 OKYRUKSLZOTHDF-KRWDZBQOSA-N 448.248 4.191 5 20 IIBD CCn1cc(S(=O)(=O)N2CCCCC[C@@H]2c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])n1 480613760 PYPBZFOGVPDHSX-OAHLLOKOSA-N 446.451 4.136 5 20 IIBD COC(=O)c1cc(C(C)(C)C)sc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 483021340 JVAXPFHDRNFHJQ-UHFFFAOYSA-N 428.470 4.178 5 20 IIBD CC[C@@H](NC(=O)C(=O)Nc1cc2sc(C)nc2cc1Cl)c1cccc([N+](=O)[O-])c1 484010079 GZOMVKKSDMGXER-CQSZACIVSA-N 432.889 4.372 5 20 IIBD CCOc1cc(C(=O)N2CCN(C3CC3)c3ccc(Cl)cc32)c([N+](=O)[O-])cc1OC 484345468 XQBUTWZQYCUKDL-UHFFFAOYSA-N 431.876 4.285 5 20 IIBD CCOc1cc(Br)c(F)cc1NC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 485154119 UGSMVJKKMNYOMC-UHFFFAOYSA-N 443.225 4.165 5 20 IIBD CC(C)Oc1ccc(C(=O)O)cc1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 485714093 SIJNPUXERCXMTG-UHFFFAOYSA-N 427.438 4.456 5 20 IIBD CSc1cccc(C(=O)N(C)CCOc2ccc(Br)cc2)c1[N+](=O)[O-] 485756644 RASPOLIHZMHCKO-UHFFFAOYSA-N 425.304 4.230 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1 485964952 GMHDPLYJLKXATH-LAUBAEHRSA-N 430.526 4.231 5 20 IIBD O=C(NC[C@@H](c1ccccc1)C(F)(F)F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 486454192 XWXAKBIGGKPFSQ-IBGZPJMESA-N 437.418 4.494 5 20 IIBD CN(C(=O)Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)C(c1ccccc1)c1ccccc1 487896400 KMFSEYVSKUGFBH-UHFFFAOYSA-N 427.460 4.158 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)c1C 488379176 KZKWUHVDTHJGIB-CQSZACIVSA-N 440.905 4.081 5 20 IIBD Cc1cc(N2CCN(c3ncc(Cl)cc3Cl)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 489173615 GSHRFPSBBOBRAD-UHFFFAOYSA-N 445.310 4.389 5 20 IIBD C[C@H](CN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@@H](C)CO)c1ccccc1 489499420 NZTQAOMARRJIAT-UXHICEINSA-N 428.532 4.168 5 20 IIBD CCn1c(S[C@@H](C(=O)NCc2cccnc2)C(C)C)nc2cc3ccccc3cc2c1=O 496536016 ONSWRYDWYMDVDU-JOCHJYFZSA-N 446.576 4.398 5 20 IIBD O=C(CCC(=O)c1cccs1)CCC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 498153235 NMMSFZYMMWWWSQ-FQEVSTJZSA-N 432.523 4.243 5 20 IIBD O=C(NCC1(c2ccccc2Cl)CCOCC1)c1ccc([N+](=O)[O-])c2cccnc12 498265668 AZWPOJYIINWUOB-UHFFFAOYSA-N 425.872 4.275 5 20 IIBD CS(=O)(=O)c1ccc(N2CCCN(c3ccc(Cl)c(Cl)c3)CC2)c([N+](=O)[O-])c1 498846230 XBCZKNLFELBXHI-UHFFFAOYSA-N 444.340 4.022 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(OCC(=O)O)cc2)cc1 499200662 CTAKJTZFNBDFGB-UHFFFAOYSA-N 438.392 4.111 5 20 IIBD C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 501511384 QWUGIWUXIVTGJX-LLVKDONJSA-N 428.338 4.066 5 20 IIBD CCc1nc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)nn1-c1ccccc1Cl 502012553 AUFBXWUNVVUOII-UHFFFAOYSA-N 427.892 4.442 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(COC2CCCCC2)c1 502305127 MVFKWONRUQFGLZ-INIZCTEOSA-N 425.485 4.201 5 20 IIBD CS(=O)(=O)c1cccc(N2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] 509530110 XGYGDTVKKRYTQS-KRWDZBQOSA-N 432.395 4.092 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccc(Br)c2)c([N+](=O)[O-])c1 509789104 LGZDXYPMSHUUAK-HNNXBMFYSA-N 425.304 4.192 5 20 IIBD CN(C(=O)Cc1ccc(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 511473556 GWDFUYCIZDXULS-UHFFFAOYSA-N 447.495 4.034 5 20 IIBD COCCCn1cnnc1S[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 511853876 NAEDFQGWOTUHJX-IBGZPJMESA-N 441.513 4.003 5 20 IIBD CCOc1ccccc1NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] 512379644 MLKOQLOCAVVKIS-UHFFFAOYSA-N 429.454 4.290 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cn2)cc1[N+](=O)[O-] 513826298 RZNYYQCSBNWBDQ-UHFFFAOYSA-N 447.856 4.091 5 20 IIBD CC(C)(C)[C@H]1CCc2sc(C(=O)N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)cc2C1 515184352 VUJJDPXCALALQG-INIZCTEOSA-N 428.558 4.165 5 20 IIBD O=C(NCc1ccccc1)c1ccccc1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 515665120 ICLGOYQHXYJGKK-UHFFFAOYSA-N 429.436 4.187 5 20 IIBD CCOc1ccc(C(=O)Nc2ccc(CC(=O)N(C)c3ccccc3)cc2)cc1[N+](=O)[O-] 515693224 ZHVJYAWHMQBNBY-UHFFFAOYSA-N 433.464 4.451 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)c1C 515699155 NYJQVGYTMQTLRQ-UHFFFAOYSA-N 445.541 4.417 5 20 IIBD CCCO[C@H]1CCCN(c2ccc(C(=O)c3ccccc3C(=O)OC)cc2[N+](=O)[O-])CC1 518660873 FHCVGNQKQXVLRI-SFHVURJKSA-N 440.496 4.398 5 20 IIBD Cc1c(C(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)nnn1-c1cccc([N+](=O)[O-])c1 519139815 BWOWQHOUWLTVIX-FQEVSTJZSA-N 425.876 4.409 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1ncsc1C(C)C 519851949 RLIRCWSDZFVDMH-UHFFFAOYSA-N 431.255 4.340 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(Cc1cc(Br)ccc1F)C1CC1 521159026 LQCDMDQJTHTPQG-UHFFFAOYSA-N 443.294 4.158 5 20 IIBD Cc1ccc(N(C)C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)nc1 521886583 CJGXRMIYNVSJPR-UHFFFAOYSA-N 427.464 4.356 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCCCCCOC2CCCCC2)ccc1[N+](=O)[O-] 521972756 INRGJBMBWWNWPZ-JOCHJYFZSA-N 445.560 4.144 5 20 IIBD O=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)Nc1ccc([N+](=O)[O-])cc1Cl 522337070 FFUJYLAILKTESU-UHFFFAOYSA-N 449.176 4.285 5 20 IIBD CCCCOc1c(Cl)cc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1OC 522930557 ANVMOPIOWPEAQL-HNNXBMFYSA-N 448.907 4.157 5 20 IIBD CCOC(=O)c1ccnc(NCc2cccc(NC(=O)C3CCCCC3)c2)c1[N+](=O)[O-] 523086668 PAKXPHGLOCFRSE-UHFFFAOYSA-N 426.473 4.297 5 20 IIBD CCC(CC)[C@@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)N1CCCC1 523299935 MIIIXJOFJQVPKZ-LJQANCHMSA-N 433.940 4.107 5 20 IIBD Cc1cc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)ccc1OCC(F)(F)F 523446107 KTEPNKPBWPGDRB-UHFFFAOYSA-N 438.406 4.198 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1I 524330577 SVNIUZNGGXKJHY-UHFFFAOYSA-N 447.026 4.214 5 20 IIBD NC(=O)c1ccc(-c2nc(COc3ccc(Br)cc3[N+](=O)[O-])cs2)cc1 525626553 NDTOOQCKQWQKPU-UHFFFAOYSA-N 434.271 4.159 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)Nc1cc(I)ccc1Cl 531566370 CKPFZZWAPSFLIE-UHFFFAOYSA-N 431.617 4.175 5 20 IIBD CSc1ccc(C(=O)N2CCC3(CCN(Cc4ccccc4)C3)CC2)cc1[N+](=O)[O-] 534965194 NPMJIODEKTXUCN-UHFFFAOYSA-N 425.554 4.445 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 535025965 GCGSMPRJCNPQAE-NRFANRHFSA-N 448.504 4.369 5 20 IIBD CC[C@@H]1CN(C(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C[C@H]1O 535630298 IYVFLBSPINFTJF-YIVAWFJXSA-N 437.521 4.365 5 20 IIBD CCCCn1cc(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c(C)n1 539100695 BTXJZXKANVYUST-QGZVFWFLSA-N 436.516 4.398 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)c1 543659742 UZBDDYKJUUGIDT-UHFFFAOYSA-N 431.514 4.029 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1 545959968 GUWSLJZNPXXMSJ-QGZVFWFLSA-N 425.485 4.101 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2cc(F)c(F)cc2Br)cc1SC 552718306 WFDBQGMSHVGDAL-UHFFFAOYSA-N 447.257 4.296 5 20 IIBD CCCCN(C)CC1CCN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)CC1 555867625 XRGNIBNRKZSBNT-UHFFFAOYSA-N 426.355 4.250 5 20 IIBD COCCNC(=O)c1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1Cl 559999120 PTOCEBQOFQVCFV-UHFFFAOYSA-N 429.860 4.497 5 20 IIBD O=C(NCCn1cnnc1C1CC1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 565328343 FGEJHPPUZZJUEE-UHFFFAOYSA-N 443.916 4.298 5 20 IIBD Cn1ccnc1[C@@H](NCc1nccn1CCCc1ccccc1)c1cccc([N+](=O)[O-])c1 565614955 XTXUHJGPDQNOFJ-QHCPKHFHSA-N 430.512 4.037 5 20 IIBD Cn1ccnc1[C@@H](Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1cccc([N+](=O)[O-])c1 570384341 IUIKYCHLAXQPFB-QHCPKHFHSA-N 431.496 4.219 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1CSCc1nnnn1-c1ccccc1Br 573009778 VVCAHPDKSZUSTP-UHFFFAOYSA-N 440.710 4.420 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CCN(Cc3ccc(C)s3)C2)cc1SC 575779597 OXQCKNVESDERAO-HNNXBMFYSA-N 449.598 4.289 5 20 IIBD COc1cc(C(=O)N2CCOCC(F)(F)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 579638813 LYGZIQYXCRWMBQ-UHFFFAOYSA-N 442.802 4.157 5 20 IIBD CC(=O)c1cc(Br)ccc1OCc1nc(Cc2cccc([N+](=O)[O-])c2C)no1 580497183 QVESWJCFNIBUHX-UHFFFAOYSA-N 446.257 4.421 5 20 IIBD COC(=O)c1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)o1 584549301 SNTJKPQVURXIFQ-UHFFFAOYSA-N 432.436 4.117 5 20 IIBD Cc1cccc(CN(CC(C)C)C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c1 603530244 UJWWHDIKJHBRPN-UHFFFAOYSA-N 425.485 4.276 5 20 IIBD COc1cc(CCNC(=O)Nc2cc(Cl)cc3cccnc23)c([N+](=O)[O-])cc1OC 603654662 GUUJZPDOFHBUCI-UHFFFAOYSA-N 430.848 4.178 5 20 IIBD COc1cc(OCC(=O)N(Cc2cccnc2)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] 604456405 SNUUUSHAJHTTSY-UHFFFAOYSA-N 427.844 4.264 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 604570270 LZOKKEHHLIXQJQ-UHFFFAOYSA-N 449.442 4.279 5 20 IIBD Cc1ncc2c(n1)CC[C@@H](NCc1cn(-c3ccccc3)nc1-c1ccc([N+](=O)[O-])cc1)C2 608836349 NBOOZYXLCKKLFT-OAQYLSRUSA-N 440.507 4.193 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(C)C 608845315 QPKDGOBRVBOIRH-QGZVFWFLSA-N 439.390 4.074 5 20 IIBD CCC[C@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 608851459 VSHBITHZWIRGMF-SFHVURJKSA-N 437.418 4.391 5 20 IIBD O=C(Nc1nc(-c2ccccc2OC(F)F)cs1)c1cc([N+](=O)[O-])cc2c1OCCO2 609021886 WFAFBGFUNRZUFN-UHFFFAOYSA-N 449.391 4.343 5 20 IIBD Cc1ccc(CNC(=O)c2ccccc2NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 609112132 XTTRUVRMBAWLJW-UHFFFAOYSA-N 443.463 4.495 5 20 IIBD COc1ccc(I)c(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 609502522 DHWRXSZHZGIPFW-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD CC[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 609530805 GWTQYKCAXOOTBU-DZGCQCFKSA-N 431.876 4.140 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(-c3nc[nH]n3)cc2)cc1 609532314 MPOQBZISQGJPGQ-UHFFFAOYSA-N 431.408 4.433 5 20 IIBD O=C(N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 609646329 AHBPIMGNOYMMMF-MRXNPFEDSA-N 434.418 4.197 5 20 IIBD O=C(NCCc1ccc(Br)cc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 609755950 YUQYNLQKUQEOTH-UHFFFAOYSA-N 447.207 4.271 5 20 IIBD C[C@@H]1CCCCN1[C@H](C)CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 609855213 QQOUMGHGRMZFME-CHWSQXEVSA-N 440.331 4.080 5 20 IIBD COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)c2sccc2C)cc1[N+](=O)[O-] 609917368 PGGJUENSYFHLDL-KRWDZBQOSA-N 432.523 4.236 5 20 IIBD CCN(CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccsc1 610061013 ZZQBHGUNPIEOID-MRXNPFEDSA-N 426.336 4.232 5 20 IIBD O=C(NC[C@H](CO)Cc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611210391 GOGZLXCLPJCCJT-MRXNPFEDSA-N 432.517 4.350 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3cccc(-n4cccn4)c3)n2)c(Br)c1 612956119 YOGVEMPVBQNISF-UHFFFAOYSA-N 426.230 4.184 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 619758429 USWQEJHCGVKKFW-QGZVFWFLSA-N 436.434 4.076 5 20 IIBD O=[N+]([O-])c1ccc2c(cnn2CN2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1 726591717 MBABIXNSQODLPG-HNNXBMFYSA-N 438.875 4.485 5 20 IIBD COc1cc(OCC(=O)Oc2cccc(-c3nc4ccccc4n3C)c2)ccc1[N+](=O)[O-] 728225897 VAHUENDFLXGSHR-UHFFFAOYSA-N 433.420 4.142 5 20 IIBD COc1ccc([C@H](C)OC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1Cl 728772491 IBGUTXYGBCEJLR-NSHDSACASA-N 448.888 4.455 5 20 IIBD O=C(c1ccc(I)c([N+](=O)[O-])c1)N1CCc2ccc(Cl)cc21 730488403 NKIDVALVHLELGE-UHFFFAOYSA-N 428.613 4.056 5 20 IIBD Cc1ccc(Cl)c(O[C@@H](C)C(=O)OC[C@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])c1 730710183 XLBKXHWQBRLAOP-JKSUJKDBSA-N 446.887 4.172 5 20 IIBD C[C@H](OC(=O)CO[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 733025526 XMYQCDYWGRTVFN-JKIFEVAISA-N 447.513 4.184 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)OC[C@H]2CCCN(Cc3ccccc3)C2)cc1OC 734297831 FPYRKPLIIUNDTD-SFHVURJKSA-N 428.485 4.071 5 20 IIBD O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1cnn(-c2ccccn2)c1C(F)(F)F 734887384 AHTQULZTTKAJNM-UHFFFAOYSA-N 426.738 4.205 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CCC(c2ccccc2F)CC1 736340761 NLFQOHDWCUGMCM-UHFFFAOYSA-N 443.294 4.065 5 20 IIBD CCCCN(C)C(=O)c1ccccc1S(=O)(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C 736420091 FKSDHQBQRIHIGA-UHFFFAOYSA-N 439.921 4.230 5 20 IIBD CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 736876142 OCPWVBHNKRJKNA-NSHDSACASA-N 430.800 4.381 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OC[C@H]1CC(=O)N(C)[C@@H]1c1cccc(Cl)c1 737384825 IVUKHGOEBPTGDA-XBHMSOGKSA-N 448.928 4.492 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2cc(Cl)ccc2N2CCSCC2)cc1[N+](=O)[O-] 742030062 PGOBNUVADKNDKJ-UHFFFAOYSA-N 445.925 4.050 5 20 IIBD O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 742228757 WJZNHISQAZKATH-QGZVFWFLSA-N 428.247 4.053 5 20 IIBD Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)Oc2cccc([N+](=O)[O-])c2)C1 742499266 VTWOMDQUIKXDTD-AWEZNQCLSA-N 447.285 4.124 5 20 IIBD O=C(OCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 742863424 YJSKZPLNBIDBJE-IBGZPJMESA-N 448.475 4.222 5 20 IIBD CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2scnc2C)NC(=S)N1CC(C)C 743739008 HRMSHHHCOQGRLE-KRWDZBQOSA-N 445.570 4.160 5 20 IIBD C[C@@H](OC(=O)c1cc2cc(C(F)(F)F)ccc2n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 745631293 YFLQAQARRSNHKM-LLVKDONJSA-N 435.358 4.289 5 20 IIBD O=C(OCC(=O)N1CCC[C@H]2CCCC[C@H]21)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 747956365 GUSBUUFXVTVFFJ-RDTXWAMCSA-N 429.498 4.056 5 20 IIBD COc1cc(CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)ccc1C 749437201 RCGIDMLRNBFTFB-UHFFFAOYSA-N 427.682 4.300 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)c1ccc(N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 751273568 SJKPRYYJSJOFQN-FOIQADDNSA-N 440.500 4.398 5 20 IIBD O=[N+]([O-])c1ccc2nc(Sc3ccc(CN[C@@H]4CCOC4)cc3[N+](=O)[O-])sc2c1 752103521 FDZRTLFSJWWQMT-GFCCVEGCSA-N 432.483 4.142 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ncc1Br)c1ccc(Br)cc1F 752983302 JWJPPCDLBNKCNA-ZETCQYMHSA-N 447.058 4.145 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Oc3ccc(NC(=O)C(C)C)cc3)cc2)c(C)c1[N+](=O)[O-] 753726576 TVDBXQPHJBDIHD-UHFFFAOYSA-N 436.468 4.270 5 20 IIBD COc1ccc2cccc(CC(=O)OCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])c2c1 754316828 UBRDEHGWWYCQAH-UHFFFAOYSA-N 428.828 4.134 5 20 IIBD CCC(C)(C)OCc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 754627765 FAVPZPVRPLNHRK-UHFFFAOYSA-N 427.501 4.389 5 20 IIBD COc1ccc(C(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1-c1ccccn1 755060343 DBZGNTHAXJAKPN-UHFFFAOYSA-N 448.479 4.134 5 20 IIBD CCOc1cc(COC(=O)[C@@H](C)NC(=O)c2cccc(Cl)c2Cl)ccc1[N+](=O)[O-] 755535857 GUGKGXUSLXTHPZ-LLVKDONJSA-N 441.267 4.162 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])Nc1cnc(Br)c(Br)c1 758348845 XRHQTHNCBVEPTC-UHFFFAOYSA-N 447.108 4.246 5 20 IIBD Cc1ccc(-n2c(SCc3ccc(Cl)c([N+](=O)[O-])c3)nnc2N2CCOCC2)cc1 760150654 KYJGEODATNVQBH-UHFFFAOYSA-N 445.932 4.266 5 20 IIBD C[C@@H](OC(=O)c1ccc(Cl)cc1Br)C(=O)Nc1cccc([N+](=O)[O-])c1 761279839 ITMXVWOZKISSQB-SECBINFHSA-N 427.638 4.195 5 20 IIBD COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)c(Br)c1 761894605 QWSYWOMKOUCEEZ-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD Cc1onc(-c2ccccc2Cl)c1C(=O)O[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 763051019 HBOBRXZGRWBXIJ-LBPRGKRZSA-N 429.816 4.396 5 20 IIBD C[C@@H](OC(=O)c1cc(N(C)C)nc2ccccc12)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 763288539 PFPVRKFUCYVZKX-CYBMUJFWSA-N 433.424 4.177 5 20 IIBD Cc1cc(C)c(Br)c(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 764625014 IETKLQONBIJCJP-UHFFFAOYSA-N 432.230 4.381 5 20 IIBD C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 765056104 IQVREPLGFRLETR-WMZOPIPTSA-N 442.516 4.451 5 20 IIBD O=C(COc1cccc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)c1)Nc1ccccc1 770414058 ZAZGPDIUSPDNIJ-UHFFFAOYSA-N 427.363 4.143 5 20 IIBD Cc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1NC(=O)OC(C)(C)C 772014629 MZHYXXCLLDICEU-UHFFFAOYSA-N 440.500 4.213 5 20 IIBD CSc1ccc(C(=O)N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cc1[N+](=O)[O-] 773364220 OURYEQJSEZTDCE-UHFFFAOYSA-N 435.546 4.180 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)CC2 773995722 ZRBYTKUWWIGVFW-OAQYLSRUSA-N 429.476 4.354 5 20 IIBD CCCCN(c1ccccc1C(=O)O)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl 776649994 OUEHUZNQPYJLRS-UHFFFAOYSA-N 426.878 4.250 5 20 IIBD CSc1cccc(C(=O)N2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)c1[N+](=O)[O-] 776905188 BHNLOJFIQFOWDT-CWRNSKLLSA-N 435.546 4.082 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(CNC(=O)OC(C)(C)C)cc2)c1 777831788 JADCTJMRXGRYAM-UHFFFAOYSA-N 429.473 4.336 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 780487259 NLDMENFNAUHWGW-HNNXBMFYSA-N 437.562 4.474 5 20 IIBD C[C@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[C@H](C)N1C(=O)OC(C)(C)C 780692447 KHRNVDUPTSVCKI-HOTGVXAUSA-N 435.524 4.151 5 20 IIBD COC(=O)c1ccc(COC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c(F)c1 781255890 FPZBNVHCPBWKGN-UHFFFAOYSA-N 441.361 4.242 5 20 IIBD O=C(O[C@@H]1CCCN(c2ccccc2)C1=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781257107 JIMZVUFSAPYNIQ-OAQYLSRUSA-N 448.425 4.312 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccccc1C(=O)NCC(F)(F)F 783800361 UFBUITVKKMGRGU-UHFFFAOYSA-N 447.822 4.271 5 20 IIBD CSCc1ccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2Br)cc1 784245102 RLKPGRQTBXFUGN-UHFFFAOYSA-N 438.303 4.106 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)c1F 787939487 GHDGFRZGQHKWCT-LBPRGKRZSA-N 429.429 4.350 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(I)c1)[C@@H]1SCCc2sccc21 788113539 WXHUPWMITCPYTM-CYBMUJFWSA-N 446.291 4.230 5 20 IIBD Cc1cnc(COC(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)c(C)c1[N+](=O)[O-] 789445001 AAZBLVRKJVZPLO-UHFFFAOYSA-N 437.374 4.109 5 20 IIBD COC(=O)[C@H](Cc1ccc(C)cc1)S[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 794457643 SYIQZZRHCQVKGZ-ACJLOTCBSA-N 436.917 4.401 5 20 IIBD COc1c(C(=O)OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cccc1[N+](=O)[O-] 796312109 OCBHSFIJUAZXRE-UHFFFAOYSA-N 433.631 4.359 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(O)nc2c(Br)cccc12 798542565 YYLPHVNFQWJTJD-UHFFFAOYSA-N 432.230 4.262 5 20 IIBD CC(C)(C)OC(=O)NCC[C@H]1CCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 799787374 KVLBOOUBQNAOKN-CYBMUJFWSA-N 443.903 4.083 5 20 IIBD COc1c([N+](=O)[O-])cc(NC[C@H](O)c2cc(C)cc(C)c2)c([N+](=O)[O-])c1Br 800884323 DWYSAOWMQRQJCL-AWEZNQCLSA-N 440.250 4.036 5 20 IIBD C[S@](=O)c1ccc(CC(=O)OCc2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)cc1 805893086 MMLWEQXZNSPJKA-PMERELPUSA-N 425.462 4.410 5 20 IIBD CC[C@@H](NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1nc(C(F)(F)F)cs1 809823079 XTLMVYKNRGAYHK-MRVPVSSYSA-N 447.819 4.292 5 20 IIBD CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811218520 DSJLIKFMPWJXEA-MRXNPFEDSA-N 449.554 4.099 5 20 IIBD O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCC1(c2ccc3c(c2)OCO3)CCOCC1 811471359 PBYKGLDAGKQUEZ-UHFFFAOYSA-N 439.295 4.468 5 20 IIBD CN(C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2Cl)C1=O 812991173 CJGRPMYMPRUMDO-OAHLLOKOSA-N 442.686 4.433 5 20 IIBD Cc1cc(C)n(-c2ccc(C(=O)OCc3csc(-c4cccc([N+](=O)[O-])c4)n3)cn2)n1 813305361 ASNYBIXKHZHNSC-UHFFFAOYSA-N 435.465 4.273 5 20 IIBD C[C@@H](Nc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1)c1ccc(N)c([N+](=O)[O-])c1 815616794 YHGRCFNVAJYMTG-CQSZACIVSA-N 430.509 4.119 5 20 IIBD CCc1ccccc1-n1cnnc1SCC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 901387288 MUKSWLVOHUECDM-UHFFFAOYSA-N 445.932 4.142 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H]1c1nc(-c2ccc(Br)cc2)no1 904710000 XFBKDPOTJPUIOZ-LBPRGKRZSA-N 449.286 4.446 5 20 IIBD COc1cccc(C2=N/C(=C/c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)C(=O)O2)c1 912757689 FSVWIZYRMRCZDH-CIAFOILYSA-N 444.399 4.167 5 20 IIBD Cc1ccccc1-c1csc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)n1 915175962 GNKVZNRIPUXIOH-ZDUSSCGKSA-N 440.456 4.157 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(Br)c([N+](=O)[O-])c1 915283527 RUDWUEZRBDYZGO-UHFFFAOYSA-N 432.133 4.119 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3cccc(C)c3C(N)=O)cc2[N+](=O)[O-])n1 916473045 UQDSRMXVEULFSF-UHFFFAOYSA-N 428.495 4.171 5 20 IIBD O=C(Cn1cc(Br)c([N+](=O)[O-])n1)Nc1cc(Cl)c(Cl)cc1Cl 917568136 GFSYZUXXODHMQH-UHFFFAOYSA-N 428.457 4.153 5 20 IIBD CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cc1Cl 917761230 KTGORCJDNAWXHF-UHFFFAOYSA-N 432.908 4.485 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Oc1ccccc1C(F)(F)F 917867334 GHRDRHXJPHRMTF-UHFFFAOYSA-N 426.166 4.144 5 20 IIBD C[C@@H](OC(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 919524452 URULWWJMGSRMHW-SNVBAGLBSA-N 437.330 4.159 5 20 IIBD CC(C)[C@@H](OC(=O)CNc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1C(F)(F)F 920604570 KGPQOLSBCWWTGP-GOSISDBHSA-N 439.390 4.232 5 20 IIBD CCOC(=O)c1cc(-c2nnc(-c3ccc(OC)c(Br)c3)o2)cc([N+](=O)[O-])c1 1117265378 BDRMDNFZZBXEQP-UHFFFAOYSA-N 448.229 4.260 5 20 IIBD O=C1N[C@@H](c2csc(-c3cccc([N+](=O)[O-])c3)n2)Nc2ccc(Br)cc21 1318566291 KWQSCGJIBITJPU-HNNXBMFYSA-N 431.271 4.335 5 20 IIBD O=C(NCCc1coc(-c2ccccc2)n1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1318840171 YLHSQIWMUJTSNK-UHFFFAOYSA-N 436.468 4.045 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]3F)cc2)CCC1 1786583937 VWLZIHPCNOOUIE-UXHICEINSA-N 425.460 4.020 5 20 IIBD O=C(Cc1ccc(F)cc1)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1 1790184381 MOLNWXBGIICRIF-UHFFFAOYSA-N 436.443 4.052 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3cccnc3)CCC2)cc1)c1cc(F)cc([N+](=O)[O-])c1 1790696524 FIPSKYHZKIFVIH-UHFFFAOYSA-N 434.427 4.190 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@H]3C[C@]3(F)Cl)cc2)CCC1)c1cc(F)cc([N+](=O)[O-])c1 1791677512 LVHAWAOAFWMRSV-DYESRHJHSA-N 449.841 4.406 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(C2(NC(=O)c3ccncc3)CCC2)cc1 1792315618 GWLJVAAOECDBMC-IZZDOVSWSA-N 442.475 4.451 5 20 IIBD Cc1cc(CCCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=CCCC2)C3)c([N+](=O)[O-])cc1F 1793402231 QYMRLSQXWUNEFG-ACDBMABISA-N 443.519 4.114 5 20 IIBD Cc1ccc(C)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2c(F)ccc([N+](=O)[O-])c2C)c1 1800699570 VFHRLJCBLOETFD-BCDXTJNWSA-N 439.487 4.225 5 20 IIBD O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1[N+](=O)[O-] 1804344501 BBEQXVUCNRCXGT-PCWJODRTSA-N 437.540 4.073 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3ccoc23)[nH]n1)c1ccc([N+](=O)[O-])[nH]1 1820366755 HOJMYBYSWDOFEL-KRWDZBQOSA-N 448.439 4.012 5 20 IIBD C[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1)c1ccccc1 1823616358 SDNMHXBABLKALD-PXNSSMCTSA-N 439.512 4.225 5 20 IIBD O=C(c1cccc(F)c1[N+](=O)[O-])N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2C2CC2)CC1 1824072806 PWGPPSVCWZLMSV-ZVDOUQERSA-N 443.519 4.013 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@H]2CCCCN2C(=O)CCc2ccsc2)CC1 1827101118 DQSPBVXTTSHHPD-GOSISDBHSA-N 445.541 4.115 5 20 IIBD CC/C=C(\C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830615464 GPGTZGAITMLFBW-GFZYJOBSSA-N 431.508 4.324 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC2(CCCN2C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)C1 1843939266 RUFKQIJGYHIMHS-ZLGUVYLKSA-N 443.519 4.157 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)C(=O)NCc1cccs1 18521273 ZPKOPMCELYCHLB-HNNXBMFYSA-N 439.493 4.130 5 20 IIBD O=C(Nc1ccccc1[N+](=O)[O-])C(=Cc1ccsc1)C(=O)Nc1ccccc1[N+](=O)[O-] 20859760 IBJYMJQFUKMTDB-UHFFFAOYSA-N 438.421 4.225 5 20 IIBD CCSc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)s1 21974617 RAPPHWYVOHWDCK-UHFFFAOYSA-N 435.350 4.052 5 20 IIBD COc1cc(-c2noc(COc3ccc(Cl)cc3[N+](=O)[O-])n2)ccc1OC(F)F 22715244 POMMFCJLKGARCO-UHFFFAOYSA-N 427.747 4.487 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc(COc3ccc(F)cc3)o2)cccc1[N+](=O)[O-] 23303641 ZZLYQFZOFBGIFW-CQSZACIVSA-N 442.399 4.398 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 28789131 TZLSWWGAJJUUTL-UHFFFAOYSA-N 435.465 4.475 5 20 IIBD O=C(c1ccc(N2CCc3ccccc3C2)cc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 63897946 SPFTVJUIYPLIPP-UHFFFAOYSA-N 442.519 4.120 5 20 IIBD O=C(NCc1cccc(CN2CCCC2=O)c1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 97392493 BIQZCGJVKUHEQB-UHFFFAOYSA-N 445.475 4.440 5 20 IIBD O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1C(=O)Cc1ccccc1[N+](=O)[O-] 105961691 FNPIKAQBHPWTIQ-GOSISDBHSA-N 436.295 4.464 5 20 IIBD COc1ccc(Cl)cc1-c1nnc(SCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[nH]1 107842787 GGJAVZGWQWGVTK-UHFFFAOYSA-N 444.860 4.384 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCCOc2ccccc2-c2ccccc2)cc1OC 109202645 BAFNOKURFSSWRG-UHFFFAOYSA-N 436.464 4.478 5 20 IIBD Cn1cc(CNC2CCN(Cc3ccc(Cl)cc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 237751381 MACAMZJGONDJKZ-UHFFFAOYSA-N 439.947 4.403 5 20 IIBD Cc1cc(C)c(NC(=O)CNc2ccc(I)cc2[N+](=O)[O-])c(C)c1 301109541 SNNYUQMFUIOSDS-UHFFFAOYSA-N 439.253 4.175 5 20 IIBD CC(C)n1c(Sc2ncc([N+](=O)[O-])c(N)n2)nnc1-c1ccc(Cl)cc1Cl 301160974 PEDIKVRICKBAOA-UHFFFAOYSA-N 426.289 4.264 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H]3CCC[C@@H]4OCC[C@H]43)c([N+](=O)[O-])c2)c(C)c1 301684527 WKGIJNFZTVFJLV-KPLVRAHFSA-N 445.541 4.382 5 20 IIBD CN(c1ccc(Oc2ncc(Cl)cc2[N+](=O)[O-])cc1)S(=O)(=O)c1ccc(F)cc1 301729349 CLJJRABZZJCQPK-UHFFFAOYSA-N 437.836 4.400 5 20 IIBD O=C(c1cc(N2CCc3cc(Br)ccc3C2)ccc1[N+](=O)[O-])N1CCCC1 302652585 CBGKPTXLASUUQK-UHFFFAOYSA-N 430.302 4.156 5 20 IIBD COc1ccc(NC(=O)c2cc(Cl)ccc2I)cc1[N+](=O)[O-] 318311511 SKTNBAYQHLIHFG-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H]1CCOc2c(F)cccc21 409869633 QQYRBTVABUGCKB-CQSZACIVSA-N 427.354 4.195 5 20 IIBD CCCN(C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 426278004 UDMYGENAIVHZDK-GVDBMIGSSA-N 429.439 4.349 5 20 IIBD CN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@H](c1ccc(Cl)cc1)c1cnccn1 427426583 CLICIGMOXBSUAW-OAQYLSRUSA-N 448.870 4.086 5 20 IIBD COCCN(Cc1cc(Br)cs1)C(=O)c1cccc(SC)c1[N+](=O)[O-] 427732147 UJWLUBGJRSHQBF-UHFFFAOYSA-N 445.360 4.430 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)Nc2ccc(C)c(S(=O)(=O)NC(C)(C)C)c2)cc1[N+](=O)[O-] 428889955 XTZYFFCLTUNUNR-OAHLLOKOSA-N 448.545 4.171 5 20 IIBD O=C(NC[C@@H]1CSCCN1Cc1ccccc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 430105781 QBKPRYWGLMFDFM-HXUWFJFHSA-N 443.572 4.029 5 20 IIBD O=C(O)Cn1ccc2cc(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)ccc21 431679260 QAKYZUIAKVUNNB-UHFFFAOYSA-N 447.397 4.251 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2nc3c(s2)C[C@@H](C(C)(C)C)CC3)cc1[N+](=O)[O-] 434809076 MXBIHVXMSGFBIL-ZFWWWQNUSA-N 444.557 4.327 5 20 IIBD COc1c(Cl)cc(NC(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1Cl 437047342 VSLHVEHKJOAKSC-UHFFFAOYSA-N 438.267 4.040 5 20 IIBD CC1CCN(c2ccc(C(=O)NCCc3nc(C(F)(F)F)cs3)cc2[N+](=O)[O-])CC1 437074272 CGMQVGZYVRDDFB-UHFFFAOYSA-N 442.463 4.279 5 20 IIBD Cc1c(CC(=O)N(C[C@H]2CCN(Cc3ccccc3)C2)CC(F)(F)F)cccc1[N+](=O)[O-] 438925453 KRKDMCWVWBDWOV-IBGZPJMESA-N 449.473 4.359 5 20 IIBD COc1ccc(NC(=O)C(=O)Nc2ccc(OCc3cccc(C)c3)cc2C)cc1[N+](=O)[O-] 439540045 GTVYITZXHKFYCY-UHFFFAOYSA-N 449.463 4.376 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 440028424 NCGMMZWCRMLXNX-KGLIPLIRSA-N 433.892 4.236 5 20 IIBD COc1ccc(COCc2cccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 442315256 KKGUMVJDJRJOHT-UHFFFAOYSA-N 428.466 4.121 5 20 IIBD Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(Oc2ccc(F)cc2)c(Br)c1 442976172 LNOFFMIGLIOIBE-UHFFFAOYSA-N 435.209 4.275 5 20 IIBD Cc1cc(Cc2cnc(NC(=O)c3cnc(O)c([N+](=O)[O-])c3)s2)ccc1Br 444855790 HYYWELNJBQKMOE-UHFFFAOYSA-N 449.286 4.066 5 20 IIBD CC(=O)CCc1ccc(OCc2cccc(-c3nc(-c4c([N+](=O)[O-])ncn4C)no3)c2)cc1 445574259 YQXBKOHXRUMZLD-UHFFFAOYSA-N 447.451 4.146 5 20 IIBD Cn1ncc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c1C(F)(F)F 446372772 XHQFIJUKGUXJJW-UHFFFAOYSA-N 449.176 4.092 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccccc2F)C2CCCC2)cc1OC 446425227 JHSOOHQIABIXAJ-QFIPXVFZSA-N 446.475 4.429 5 20 IIBD O=C(Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])c1cccc(C(=O)N2CCCC2)n1 446436163 MAXOQVIWIMTADT-UHFFFAOYSA-N 446.463 4.057 5 20 IIBD C[C@@H]1c2cccc(Br)c2CCN1C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 446904567 MWZXNRLOBZMQRY-LLVKDONJSA-N 444.289 4.063 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(C(=O)NCc2ccco2)c1 462432490 RJGPBAXOPRKKCM-LJQANCHMSA-N 435.480 4.003 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 463186659 XLXMFKQQTMLSND-UHFFFAOYSA-N 432.411 4.423 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)cn2)cc1C 465036981 UTPJJJDYGXOTJA-UHFFFAOYSA-N 435.436 4.351 5 20 IIBD CCOc1cc(NC(=O)NC[C@H]2CCO[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OCC 466074286 UUXVWUWJWMBVNH-IERDGZPVSA-N 429.473 4.292 5 20 IIBD Cc1sc(S(=O)(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)cc1[N+](=O)[O-] 466954662 KMXAJRWIQKSWTL-UHFFFAOYSA-N 449.485 4.086 5 20 IIBD Cc1ccc(-n2cc(C(=O)N3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)c(C(C)(C)C)n2)cc1 467520662 GBWMGDOLWAKXRA-QGZVFWFLSA-N 448.527 4.108 5 20 IIBD CNc1c(C(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)cccc1[N+](=O)[O-] 468579781 UNYLSOGIQNHUBL-OAHLLOKOSA-N 433.306 4.116 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 468747331 DDHIDKZCYLGOFZ-UHFFFAOYSA-N 432.274 4.154 5 20 IIBD Cc1ccc(NCCCNC(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1 469688131 SECOUJSTIWTRHC-UHFFFAOYSA-N 443.891 4.158 5 20 IIBD CCCOc1cc(NC(=O)Nc2cc([C@H]3CCCO3)[nH]n2)c([N+](=O)[O-])cc1OCCC 471169693 QDZNYZVBBWITRW-MRXNPFEDSA-N 433.465 4.391 5 20 IIBD Cc1c(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cccc1NC(=O)N(C)C 471360484 PABGANPCUJQLTE-UHFFFAOYSA-N 439.394 4.337 5 20 IIBD O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 472570882 QEIBQZCHXGOXGA-HXUWFJFHSA-N 446.438 4.102 5 20 IIBD COc1ccc(NC(=O)CN2CCCC[C@H]2c2ncc(-c3ccccc3)[nH]2)c([N+](=O)[O-])c1 472610092 IBWKMICNAUPOMU-FQEVSTJZSA-N 435.484 4.159 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 473578647 RZOAIHOKRDXBIK-KDURUIRLSA-N 441.506 4.024 5 20 IIBD C[C@H](CCc1ccco1)NC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 477034468 PMPGKICZEZZMAG-MRXNPFEDSA-N 435.480 4.236 5 20 IIBD COC(=O)[C@@H](Cc1ccc(C)cc1)S[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 477064553 GXVCLIRHVCBUSG-SCLBCKFNSA-N 436.917 4.401 5 20 IIBD C[C@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1c(F)cccc1Cl 477505301 QZIOTXOSQZWNIP-JTQLQIEISA-N 435.868 4.158 5 20 IIBD O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 477660069 APFZURTVROFOGL-UHFFFAOYSA-N 434.273 4.239 5 20 IIBD O=C(N[C@H]1CC=C(c2ccc(F)cc2)CC1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 479451935 WVCQYUFSZHQNLO-ROUUACIJSA-N 443.500 4.152 5 20 IIBD Cc1cc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc(N2CCN(C(C)C)CC2)c1 481638166 NMYXCBKPINSOQE-KRWDZBQOSA-N 428.508 4.315 5 20 IIBD O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)N1CCc2ccc([N+](=O)[O-])cc2C1 481908784 XKPXPHCTIXYPDE-UHFFFAOYSA-N 433.852 4.496 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCSC[C@@H]2c2cnn(C)c2)cc1[N+](=O)[O-] 482131797 YIJARBXUAFOKRC-GOSISDBHSA-N 434.587 4.397 5 20 IIBD CCOc1cc(CN(C)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)ccc1OC(F)F 482608905 SEODENHEJPSQCR-UHFFFAOYSA-N 435.427 4.441 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(CN2CCCC2=O)cc1 484355912 YLVOIWLJHPBXEL-UHFFFAOYSA-N 441.553 4.395 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(C(F)(F)F)(C(F)(F)F)C1 488380393 AYBJPRJDFHORAS-UHFFFAOYSA-N 433.736 4.317 5 20 IIBD Cc1nc2[nH]c(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc2cc1Br 489821349 QQNSJGPEVOVKSJ-SECBINFHSA-N 436.291 4.056 5 20 IIBD CCOc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 490434959 QZEVFSOLZGQIML-UHFFFAOYSA-N 441.465 4.047 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC(n4ccc(C(F)(F)F)n4)CC3)o2)c1 492449002 VOKKKJYEQWBCDK-UHFFFAOYSA-N 435.406 4.345 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N(C)[C@H](c3ccccc3)c3ncc[nH]3)cc2)c(C)c1[N+](=O)[O-] 492631789 SYFWBWBMFFWMAX-JOCHJYFZSA-N 444.495 4.041 5 20 IIBD Cc1ccc([C@H](C)NC(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] 493001592 FNQGQQQZZPLMDS-JSGCOSHPSA-N 442.299 4.010 5 20 IIBD COc1cc(CN[C@@H]2CCN(c3cccc(Cl)c3)C2)c([N+](=O)[O-])cc1OCC(F)F 493709523 SQYWXDIOJPLUND-OAHLLOKOSA-N 441.862 4.269 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 494517542 ZSUBEKXQHVVZQB-AWEZNQCLSA-N 429.860 4.257 5 20 IIBD COc1ccc(COCc2cccc(Nc3cccc(S(C)(=O)=O)c3[N+](=O)[O-])c2)cc1 497514199 BKYHMIBKMYDKGY-UHFFFAOYSA-N 442.493 4.467 5 20 IIBD COC(=O)[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)Cc1cccc2ccccc12 498627428 SNSVYSZSJPGMCK-GOSISDBHSA-N 432.432 4.256 5 20 IIBD COc1cc(CN2CCOC[C@H]2c2c(C)nn(-c3ccccc3F)c2C)ccc1[N+](=O)[O-] 502349570 XDQDFWSNBYXDMR-NRFANRHFSA-N 440.475 4.119 5 20 IIBD CC(C)(COc1ncccc1C(F)(F)F)NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 502358004 HUXYCINGDABCPL-UHFFFAOYSA-N 437.378 4.006 5 20 IIBD COc1cc(F)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 510726208 VDDPZSIOMKUAPD-GHMZBOCLSA-N 426.828 4.049 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)cccc1[N+](=O)[O-] 511393947 LMNRTAYEWARFKV-PBHICJAKSA-N 435.402 4.313 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(OCC(F)(F)C(F)F)nc1 511477017 JNVOZCYQMVFDMM-UHFFFAOYSA-N 439.268 4.123 5 20 IIBD COC(=O)c1sc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)nc1C 512223720 FEXBHCZVJSLUML-UHFFFAOYSA-N 443.437 4.200 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O 513598367 RVUOXXOHFVUDJX-RADWXHQJSA-N 441.503 4.171 5 20 IIBD CCOc1cc(NC(=O)c2cc(C)nc3c2cnn3C(C)C)c([N+](=O)[O-])cc1OCC 514740419 WPMJZRJBQDMQRI-UHFFFAOYSA-N 427.461 4.279 5 20 IIBD O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 515693239 LLAXLRKYGXJRLW-UHFFFAOYSA-N 433.468 4.049 5 20 IIBD CCOc1ccc(-c2nc(C)c(C(=O)NCc3ccc(OC)c([N+](=O)[O-])c3)s2)cc1 515733045 XYMYNSRVDVRWEU-UHFFFAOYSA-N 427.482 4.364 5 20 IIBD C[C@@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(OCC(F)(F)F)cc1 516756636 XIWSDWKNMLKCNC-CYBMUJFWSA-N 448.401 4.427 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCc3ccc(Br)cc3)cc2)c(C)c1[N+](=O)[O-] 518053956 WNQCCVMYBFWJPK-UHFFFAOYSA-N 443.301 4.149 5 20 IIBD O=C(NCc1ccc(Br)cc1Cl)c1cc(O)nc2ccc([N+](=O)[O-])cc12 518356259 PRBKDRAABKZFCE-UHFFFAOYSA-N 436.649 4.195 5 20 IIBD CN1CCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c2ccccc21 520342222 LXBLZTBKWGOEIS-UHFFFAOYSA-N 448.445 4.313 5 20 IIBD Cc1c(C(=O)NC2(c3ccc(Cl)cc3)CCCC2)nnn1-c1cccc([N+](=O)[O-])c1 522989216 RZXNPBGLIXTIIA-UHFFFAOYSA-N 425.876 4.337 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)c(Cl)c1 524409020 RZXOTPZSZHYCPY-UHFFFAOYSA-N 436.917 4.317 5 20 IIBD COc1ccccc1-c1ccc([C@@H](C)NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)cc1 525075554 GEGGHQQPVPDRMK-MRXNPFEDSA-N 443.463 4.342 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2CCC(OC(C)C)CC2)c([N+](=O)[O-])c1 530915740 YSYZCYPBSCAAOR-UHFFFAOYSA-N 426.469 4.006 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1nc(-c2ccc(Br)cc2)cs1 531669573 SQIOPGFQVLPDGT-SNVBAGLBSA-N 435.303 4.310 5 20 IIBD O=c1c(Br)cc([N+](=O)[O-])cn1CCOC(c1ccccc1)c1ccccc1 532164422 WMHLIYZGVZOKTJ-UHFFFAOYSA-N 429.270 4.325 5 20 IIBD CCn1cc(S(=O)(=O)N[C@H](c2ccc(C(C)C)cc2)c2cccs2)c([N+](=O)[O-])n1 533633626 QNQQYYCWOZGUPR-GOSISDBHSA-N 434.543 4.064 5 20 IIBD C[C@@H](Cc1cc(Br)ccc1F)NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 534428608 NPRKBPOJPQZVHD-JTQLQIEISA-N 448.248 4.111 5 20 IIBD COc1ccc(C[C@H](C)CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 536493825 ZKWNOFGOIVHWGY-KBPBESRZSA-N 436.892 4.028 5 20 IIBD COc1cc(-c2nnc(Sc3ccc([N+](=O)[O-])c4cccnc34)o2)cc(OC)c1OC 536522400 NNFCIEHLGWBNNU-UHFFFAOYSA-N 440.437 4.370 5 20 IIBD COc1ccc(NC(=O)CN[C@@H](C)c2ccc(-c3csc(C)n3)cc2)c([N+](=O)[O-])c1 537052448 FVJHVFJFUBHPLV-ZDUSSCGKSA-N 426.498 4.325 5 20 IIBD Cc1cc(NCc2csc(CNC(=O)c3ccccc3)n2)c2cccc([N+](=O)[O-])c2n1 537346369 MGUNTVUMRKDVCJ-UHFFFAOYSA-N 433.493 4.450 5 20 IIBD COC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 539004603 GXUASZZPLHYSMY-YGJVYZRNSA-N 440.500 4.015 5 20 IIBD Cc1c(NC(=O)C(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)cccc1[N+](=O)[O-] 539188866 PLLBJIUAOPCNLY-UHFFFAOYSA-N 435.402 4.267 5 20 IIBD CC(=O)N(CCC(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1)Cc1ccccc1 539351405 QBPKZGFNIWBOMZ-UHFFFAOYSA-N 438.509 4.120 5 20 IIBD CC[C@H](CSc1ccccc1[N+](=O)[O-])Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1 539651845 WLRDWGCBHACAIB-YLJYHZDGSA-N 428.558 4.027 5 20 IIBD C[C@@H]1C[C@H](CCNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CCO1 541345896 KZYQHQGDNWHBSZ-VXGBXAGGSA-N 427.288 4.022 5 20 IIBD O=C(CNC(=O)c1sc2ccccc2c1Cl)Nc1cc(Cl)cc([N+](=O)[O-])c1O 541824352 WBXYRGQLXKRUDJ-UHFFFAOYSA-N 440.264 4.190 5 20 IIBD COc1ccc(-c2csc(NS(=O)(=O)Cc3ccccc3[N+](=O)[O-])n2)cc1Cl 544743184 SJELCJGZJMBJLT-UHFFFAOYSA-N 439.902 4.322 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2Cc2nc(Cc3cscn3)no2)cc1 545591888 LTTMWBRIUJBMIB-UHFFFAOYSA-N 444.476 4.469 5 20 IIBD CCN1CCN(c2ccc(-c3noc(C(F)(F)c4ccc([N+](=O)[O-])cc4)n3)cc2F)CC1 545664474 PTIBNOACGAGFMY-UHFFFAOYSA-N 447.417 4.066 5 20 IIBD Cc1c(-c2nc(-c3ccc(N4CCCN(C)CC4)c(Cl)c3)no2)cccc1[N+](=O)[O-] 545768256 HXTZYGSVSCVDGQ-UHFFFAOYSA-N 427.892 4.416 5 20 IIBD CC(C)NC(=O)Nc1cccc(-c2noc(-c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)n2)c1 546410635 CJYZONVATFNOLE-UHFFFAOYSA-N 433.428 4.027 5 20 IIBD Cc1nn(Cc2ccc(-c3nc(-c4ccc5nccnc5c4)no3)cc2)c(C)c1[N+](=O)[O-] 546431502 XGYMOKFJTDHBSR-UHFFFAOYSA-N 427.424 4.117 5 20 IIBD C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 548947529 GFILINJCDXYDKR-ROUUACIJSA-N 438.528 4.419 5 20 IIBD Cc1cccnc1-c1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1CC(C)C 549417539 UKKVJJIBVDHAPI-UHFFFAOYSA-N 436.516 4.261 5 20 IIBD O=C(Nc1cccc(-c2nc(O)n[nH]2)c1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 552624774 XENDVMLFNLUETK-UHFFFAOYSA-N 433.449 4.489 5 20 IIBD CC(C)(C(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1)c1ccc([N+](=O)[O-])cc1F 553461593 XFMXJYJTMWLVCL-DEOSSOPVSA-N 425.504 4.136 5 20 IIBD CCCN(C)[C@@H](CNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])c1ccc(Cl)cc1 557341742 FSEICBXUWNEIKU-SFHVURJKSA-N 435.908 4.078 5 20 IIBD CCN(Cc1cccc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c1)C(C)=O 559505596 KLYRYKWIQVJHAP-UHFFFAOYSA-N 434.290 4.286 5 20 IIBD COc1cc(CN2CC[C@@]3(CCCN(C)C3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 560594878 MFXCPJIESVYBAM-XMMPIXPASA-N 425.529 4.100 5 20 IIBD CC(C)(NC(=O)CNC(=O)c1sc2ccccc2c1Cl)c1ccccc1[N+](=O)[O-] 561706034 BDOUVLZCQORACC-UHFFFAOYSA-N 431.901 4.244 5 20 IIBD CS[C@@H]1C(=O)Nc2ccc(-c3noc(C(C)(C)c4ccc([N+](=O)[O-])cc4F)n3)cc21 561894545 YIUZIOCOQMLBJL-INIZCTEOSA-N 428.445 4.466 5 20 IIBD O=C(NC1(c2noc(C(F)(F)c3ccc([N+](=O)[O-])cc3)n2)CCCC1)c1ccccc1 565330245 NLLDXBOPDWHGFB-UHFFFAOYSA-N 428.395 4.317 5 20 IIBD COc1cc(CN(C)C2C[C@@H]3CC[C@H](C2)N3C)c([N+](=O)[O-])cc1OCc1ccccc1 565683247 KDBUCIOZBKMUJA-WCRBZPEASA-N 425.529 4.239 5 20 IIBD Cc1ccc(OCc2nc(CC(=O)N(C)CCc3ccccc3[N+](=O)[O-])cs2)cc1 574062825 BPRFZXYIEVLCBF-UHFFFAOYSA-N 425.510 4.182 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)Nc3ccnn3CCN(C)C)cc2[N+](=O)[O-])cc1 577672641 XZSDXNVHRHNCPB-UHFFFAOYSA-N 425.514 4.065 5 20 IIBD C[C@@H](c1nc(-c2cn3ccc(Br)cc3n2)no1)c1ccc([N+](=O)[O-])cc1F 577990383 MSBMTXYRDAQBTG-SECBINFHSA-N 432.209 4.346 5 20 IIBD CCn1c([C@@H]2CCCN2c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)nc2ccccc21 578468663 YQBUQWZSJYWFFD-FQEVSTJZSA-N 439.491 4.282 5 20 IIBD O=C(Cc1ccccc1)N1CCc2ccc(NCc3cc4c(cc3[N+](=O)[O-])OCCO4)cc21 590196226 QIJXFQQCUDNBPC-UHFFFAOYSA-N 445.475 4.110 5 20 IIBD CCCOc1cc(NC(=O)c2cn(-c3ccc(C)cc3)nn2)c([N+](=O)[O-])cc1OCCC 603637682 WTNBGHMHKZVSNQ-UHFFFAOYSA-N 439.472 4.314 5 20 IIBD O=[N+]([O-])c1ccc(OC(F)F)c(NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c1 603975469 CEDGLUJKCAJYPV-UHFFFAOYSA-N 444.746 4.252 5 20 IIBD Cc1noc(-c2ccc(C)c(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])c2)n1 603988792 HNEMDFIZNZUVDC-UHFFFAOYSA-N 436.346 4.455 5 20 IIBD COc1ccc(CNC(=O)c2cnn(-c3ccc(C)cc3)c2C(F)(F)F)cc1[N+](=O)[O-] 604017243 XLONBEADNYJSRN-UHFFFAOYSA-N 434.374 4.046 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 604156703 MSOUROUEJJOGDF-OAHLLOKOSA-N 430.873 4.160 5 20 IIBD CC(C)(C(=O)Nc1ccc(Oc2cccc(Br)c2)nc1)n1cc([N+](=O)[O-])cn1 608807125 UYAVPJZQIXPTOA-UHFFFAOYSA-N 446.261 4.115 5 20 IIBD CN1CCC(N2CC[C@H](NCc3ccc(Oc4ccccc4Cl)c([N+](=O)[O-])c3)C2)CC1 609571443 BLUZHEJSBUGNHE-SFHVURJKSA-N 444.963 4.299 5 20 IIBD CC(C)(NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc(Br)cc1 609766395 GPWVUATXFGEKAL-UHFFFAOYSA-N 434.290 4.180 5 20 IIBD CS[C@@H]1CCC[C@H](NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C1 609861138 PHUJACIMJVSYAN-CMPLNLGQSA-N 429.329 4.491 5 20 IIBD O=C(NCc1ccc(Br)c(F)c1)c1ccc([N+](=O)[O-])cc1Br 610042959 OKVNRNJTUZGJJP-UHFFFAOYSA-N 432.043 4.189 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 610668256 UGEDVHJHVPMJML-AOOOYVTPSA-N 449.145 4.099 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@H](C)C[C@H]2CCOC2)c([N+](=O)[O-])c1 610734939 VWJZRWKQQDRYFT-IAGOWNOFSA-N 433.530 4.037 5 20 IIBD Cn1ccnc1[C@@H](NCc1cccc(OCc2ccccn2)c1)c1ccc([N+](=O)[O-])cc1 611560329 MAWWOJOBFHMMCL-QHCPKHFHSA-N 429.480 4.182 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3ccc(OC(C)C)cc3C)CC2)ccc1[N+](=O)[O-] 619535679 YWLHCOGXXDEITO-UHFFFAOYSA-N 442.516 4.443 5 20 IIBD O=C(NCCOC(=O)[C@@H](OC1CCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1Cl 727050242 UCDIXOSVLLKLPZ-FQEVSTJZSA-N 446.887 4.222 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CCC[C@@H]1COc1ccc(Cl)cc1 732271715 PMTDJBUMYSFVSJ-OAHLLOKOSA-N 427.844 4.186 5 20 IIBD O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 733764494 VXYOGVNXWWOZDC-BAQGIRSFSA-N 431.851 4.278 5 20 IIBD C[C@](O)(CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)c1ccc(F)cc1F 734023060 NHVGLYAIPJDEJY-QFIPXVFZSA-N 428.391 4.303 5 20 IIBD Cc1c(C(=O)NC2CCN([C@H](C)c3ccccc3)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 734782423 CLXKEEDFSLCXRE-MRXNPFEDSA-N 426.473 4.075 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1SCc1ccccc1 743953731 XJPJSZLUDOUELV-UHFFFAOYSA-N 435.505 4.185 5 20 IIBD CCOC(=O)c1cc(C(=O)Oc2cccc(NC(=O)OC(C)(C)C)c2)cc([N+](=O)[O-])c1 744249136 LIRVPUFTZHCZEK-UHFFFAOYSA-N 430.413 4.338 5 20 IIBD O=C(O[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1cc([N+](=O)[O-])ccc1Cl 744479263 DRTWOTZNFPRQHB-MRXNPFEDSA-N 440.786 4.202 5 20 IIBD COC(=O)[C@@H](OC(=O)CCOc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 744732494 UNNCDRQJCNVQLV-KRWDZBQOSA-N 428.224 4.128 5 20 IIBD COc1ccc(OCCOC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)c([N+](=O)[O-])c1 744893336 VKTHPPLDRCLUSA-JKSUJKDBSA-N 436.258 4.092 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)cc2)C[C@@H](C)O1 747396905 SEGQXNKKDSJWAE-HDICACEKSA-N 438.528 4.064 5 20 IIBD C[C@H](OC(=O)c1ccccc1NC(=O)OC(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 748330825 DDXDOXBBVLHTJE-ZDUSSCGKSA-N 429.429 4.126 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccc(CCC(F)(F)F)cc1 751886860 IFVUAOCSIPRTTN-LBPRGKRZSA-N 440.374 4.282 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(CCC(F)(F)F)cc2)c([N+](=O)[O-])c1 751889056 HSOZNUSYWKASOE-LBPRGKRZSA-N 440.374 4.282 5 20 IIBD Cc1cc(C)cc(OCc2noc(COC(=O)CSc3ccccc3[N+](=O)[O-])n2)c1 754242654 JHKONRRVGLNTHF-UHFFFAOYSA-N 429.454 4.009 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCO[C@@H](c2ccccc2Cl)C1 754968964 SXNUNPZUFZGPOX-OAHLLOKOSA-N 443.656 4.364 5 20 IIBD O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1)c1cc(F)cc([N+](=O)[O-])c1Br 755015579 DWXRZLLGHLMEMB-LBPRGKRZSA-N 442.672 4.159 5 20 IIBD CC(C)(C)NC(=O)c1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 755226089 JMPWKRAFJXPNSE-UHFFFAOYSA-N 434.290 4.067 5 20 IIBD COc1ccc(CC(=O)N2CCC[C@H]2c2c(C)nn(CC(C)C)c2Cl)cc1[N+](=O)[O-] 760028884 QQPWUVNXGWHVNE-INIZCTEOSA-N 434.924 4.324 5 20 IIBD COc1cc(Cc2noc([C@H]3CCN(c4ccc(C(C)C)cc4)C3=O)n2)ccc1[N+](=O)[O-] 762309650 RPXKQFAHAJFZLY-GOSISDBHSA-N 436.468 4.221 5 20 IIBD O=C1OC[C@@H](COC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])O1 763836208 CCIBRZYFNPITHB-LLVKDONJSA-N 443.355 4.457 5 20 IIBD O=C(NCc1csc(-c2ccco2)n1)c1cc(F)cc([N+](=O)[O-])c1Br 763991442 NVQIKSUFGFFREO-UHFFFAOYSA-N 426.223 4.143 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)C1 765739035 MVQDYYUURUQWMI-LJQANCHMSA-N 443.422 4.087 5 20 IIBD CC(C)(C)c1ccc2c(c1)CCCN2C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 766037697 HGIJPVMHWXOTFM-UHFFFAOYSA-N 427.526 4.063 5 20 IIBD C[C@H]1C[C@H](NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)O1 768053425 CFDMVJNGEQQJMC-BTTYYORXSA-N 431.876 4.186 5 20 IIBD Cc1ccc(Cc2nc(C(=O)O[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)cs2)cc1 768653838 RZCVFANNQJBYGJ-OAHLLOKOSA-N 439.493 4.443 5 20 IIBD CC(C)C(=O)Nc1cccc(F)c1C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1 773429939 NNEWFGHZZKPPOF-UHFFFAOYSA-N 439.237 4.448 5 20 IIBD CCOC(=O)c1cc(N[C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)ccc1[N+](=O)[O-] 774528971 HUGBIKYIWVQYKE-AWEZNQCLSA-N 431.464 4.045 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2c(F)cc(F)cc2Br)cc1[N+](=O)[O-] 775188925 LMKRCSLOLOSFDY-UHFFFAOYSA-N 441.637 4.398 5 20 IIBD COC(=O)N1CCC([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 776968199 IEONBGZPNPTNRK-OAHLLOKOSA-N 449.573 4.474 5 20 IIBD COc1cccc(-n2c(C)nnc2SCC(=O)O[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 778760289 HWXLKGXDNRUSLZ-AWEZNQCLSA-N 442.497 4.197 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCC(O)(c2ccccc2)CC1 781033538 VJHBKHKNWYBXJH-UHFFFAOYSA-N 434.442 4.083 5 20 IIBD CCc1nc2ccccc2n1C1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 782532675 YZRWGVDMIXMWAR-UHFFFAOYSA-N 439.491 4.312 5 20 IIBD CC(C)(C)c1ccc(C(=O)NCC(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])cc1 782630569 CDRQRTPXDCKFIU-HSZRJFAPSA-N 447.491 4.350 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(Nc2cccc(CC[C@H](O)c3ccccc3)c2)s1 782946785 FHZQJZOKJITBGN-SFHVURJKSA-N 432.523 4.470 5 20 IIBD CC(C)c1ccc(-c2noc(COC(=O)COc3ccc([N+](=O)[O-])c4cccnc34)n2)cc1 786785422 CFQAKSDFZZHKMX-UHFFFAOYSA-N 448.435 4.439 5 20 IIBD CCOC[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C 789866360 MCKWPXRLMNRZER-LJQANCHMSA-N 433.892 4.291 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc(Cl)c1F 791213902 VYBYMCDMKBBXDW-UHFFFAOYSA-N 431.601 4.189 5 20 IIBD Cc1ccc(O[C@@H](C)C(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1 791751318 RCPTYMISLLHADG-NSHDSACASA-N 439.218 4.085 5 20 IIBD COc1ccc(OC(=O)c2cccn2C2CCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] 792121316 MQQYJSVFUZRWTP-UHFFFAOYSA-N 445.472 4.196 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCC(C)(c2ccc(Cl)cc2)CC1 792493831 MXUKPSMRLSCKTG-UHFFFAOYSA-N 446.887 4.028 5 20 IIBD O=C(COC(=O)c1cc(Cl)cc(F)c1Br)Nc1ccc(F)c([N+](=O)[O-])c1 792697872 GRDFJKPPENQGQI-UHFFFAOYSA-N 449.591 4.084 5 20 IIBD CCC(=O)c1ccc(N2CCN([C@H](C)c3nc(-c4cccs4)no3)CC2)c([N+](=O)[O-])c1 795096385 VGUDIUIKBSZVLH-CQSZACIVSA-N 441.513 4.182 5 20 IIBD C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] 799730030 VEQICUYRMXAVQI-AWEZNQCLSA-N 431.514 4.389 5 20 IIBD Cc1cc(N2CCCCCC2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 804346411 UFHYUGBXDWZSDT-UHFFFAOYSA-N 438.528 4.373 5 20 IIBD O=C(Nc1cccc(Cl)c1OCC(F)F)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 809286901 GSLAHZVRCGWHHP-HNNXBMFYSA-N 425.775 4.024 5 20 IIBD C[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C[C@H](c2ccccc2)O1 809810029 IOBUSSXLSZLZOL-MEDUHNTESA-N 431.297 4.052 5 20 IIBD O=C(COC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccc(N2CCCC2=O)cc1 811373006 NGCLAKKJIKZEOQ-UHFFFAOYSA-N 437.235 4.068 5 20 IIBD COc1ccc([C@H](O)C2CCN(C(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)CC2)cc1 812642076 UGEXFPYOSPUUNB-BTYIYWSLSA-N 430.526 4.056 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 813294012 WYSKDMXWXKABNJ-UHFFFAOYSA-N 442.300 4.095 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(C2CC(OCc3ccccc3)C2)CC1 821348215 NGWSPTWWGALTEO-UHFFFAOYSA-N 435.446 4.483 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2c[nH]c3ccc(Br)cc23)cccc1[N+](=O)[O-] 857830459 GZLZFQMMEASWGO-NSHDSACASA-N 446.257 4.331 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1(c2cccc(Br)c2)CC1 914802645 YOUSPGOSHZWQAX-UHFFFAOYSA-N 444.241 4.182 5 20 IIBD C[C@H](OC(=O)c1cc2cc(Br)ccc2o1)C(=O)Nc1cccc([N+](=O)[O-])c1 915423703 GNTSTCRWYLBQCN-JTQLQIEISA-N 433.214 4.288 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cnn(-c2ccc(Cl)nn2)c1C(F)(F)F 916372357 XRSFJYLYAJADCF-UHFFFAOYSA-N 447.160 4.148 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)NC(=O)CCCc2ccc(Cl)cc2)cc1[N+](=O)[O-] 916795953 DBVUHQNBUVQRPX-UHFFFAOYSA-N 431.297 4.038 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(Br)cc2Cl)c(Cl)c1 917845532 VXUSOICSRGJJEQ-UHFFFAOYSA-N 427.059 4.432 5 20 IIBD CC(C)OCc1cccc(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c1 920482357 NGFCNWBMRCRQIK-UHFFFAOYSA-N 429.292 4.083 5 20 IIBD Cc1ccc(S(=O)(=O)c2ccc(COC(=O)c3cc(C)cc([N+](=O)[O-])c3)cc2)cc1 920904183 AXGJGKYDUHFYID-UHFFFAOYSA-N 425.462 4.401 5 20 IIBD COc1cc(CN2Cc3ccc([N+](=O)[O-])cc3C2)cc(Br)c1OC(F)F 1254018155 DXSBJKPOJUHPCK-UHFFFAOYSA-N 429.217 4.483 5 20 IIBD Nc1c(C(=O)NCc2ccnc(Oc3ccccc3)c2)cc(Br)cc1[N+](=O)[O-] 1261508797 YTHQTWAHHCNPOF-UHFFFAOYSA-N 443.257 4.057 5 20 IIBD CCOC(=O)c1sc2nc(/C(Cl)=C\c3ccc([N+](=O)[O-])c(O)c3)nc(O)c2c1C 1318081417 FNOFYVSKAOHGFL-UXBLZVDNSA-N 435.845 4.233 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1nn(-c3ccccc3F)cc1Br)CC2 1319902939 KZZONPBPPRNKIK-UHFFFAOYSA-N 445.248 4.193 5 20 IIBD CC(C)([C@@H](OC(=O)Cc1c[nH]c2cnccc12)c1ccc(Br)cc1)[N+](=O)[O-] 1516822792 YEXYDTRKPRGZGE-SFHVURJKSA-N 432.274 4.208 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)CCC1)c1ccc2occc2c1 1789689222 IGMWJTDNDNBBPY-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD C[C@H]1C[C@]1(C)C(=O)Nc1ccc(C2(NC(=O)Cc3cc(F)ccc3[N+](=O)[O-])CCC2)cc1 1790427939 WKHRYHBUQBLRQX-WNSKOXEYSA-N 439.487 4.457 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)Nc1ccc(C2(NC(=O)C(C)(C)F)CCC2)cc1 1790805937 QSVWVPSLBUUDQV-UHFFFAOYSA-N 429.448 4.105 5 20 IIBD CCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)CCC2)cc1 1791263270 ZCWGHSLRSOKOSU-UHFFFAOYSA-N 425.485 4.484 5 20 IIBD CCC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)C3)CCC1 1797911023 OHFNWOVQAWQPPU-BJWYYQGGSA-N 433.936 4.389 5 20 IIBD C[C@@H]1CCC[C@@H]1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)[nH]n1 1818959598 XYRORBUSOJBTHG-WTANOLMUSA-N 443.479 4.199 5 20 IIBD CC(C)(C)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2F)n[nH]1 1821051427 KFPMMQHEVVFKFX-QGZVFWFLSA-N 431.468 4.199 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CC2CCCC2)[nH]n1)c1cc(F)cc([N+](=O)[O-])c1 1821164031 IZHWJWPWJSDTNU-IBGZPJMESA-N 443.479 4.343 5 20 IIBD CC1(C)CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)C1 1823681118 BPJLMZKFTNHDDH-JOCHJYFZSA-N 441.572 4.193 5 20 IIBD Cc1occc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830617290 XKHDSVWELZUJQQ-HXUWFJFHSA-N 443.475 4.182 5 20 IIBD CC1(C)CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(F)c3[N+](=O)[O-])CC2)C1 1830623025 RPQMRSVXAHHFDO-HXUWFJFHSA-N 445.535 4.403 5 20 IIBD Cc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3CC3)CC2)cc(Cl)cc1[N+](=O)[O-] 1832527166 BGZWBJLCUSKKNI-IBGZPJMESA-N 433.936 4.200 5 20 IIBD COc1cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1OCC(C)C 9535916 SXABGVSYWBUMRI-UHFFFAOYSA-N 436.848 4.087 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1-c1cccs1)Nc1cccc(C(=O)NC2CC2)c1 11272977 XYSSNDFENIMSQZ-UHFFFAOYSA-N 437.477 4.233 5 20 IIBD COc1c([N+](=O)[O-])cc(NCCSc2ccccc2)c([N+](=O)[O-])c1Br 14267335 DJDVTDOGYXVILG-UHFFFAOYSA-N 428.264 4.478 5 20 IIBD COc1cc(CN(C)[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1OC(F)F 15444317 HUURRICQWBAECH-LBPRGKRZSA-N 434.399 4.448 5 20 IIBD Cc1ccc(F)c(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c1 15625778 YJEWDHDCOCTNRW-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD Cc1cc(CSc2ccccc2C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)on1 16542391 UGMRCCWBMYQDDA-UHFFFAOYSA-N 441.465 4.287 5 20 IIBD Cc1cc(C)c(-c2csc(NC(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)n2)cc1C 19628679 KOMRKAXVYMYTMB-UHFFFAOYSA-N 438.465 4.190 5 20 IIBD Cn1nnnc1-c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)c1 21560548 GMRRINAHSNYRRO-UHFFFAOYSA-N 432.465 4.189 5 20 IIBD Cn1c(SCC(=O)N[C@H](c2ccccc2)C2CC2)nc2cc3ccccc3cc2c1=O 26580853 PNYMCLPQJFGECO-HSZRJFAPSA-N 429.545 4.446 5 20 IIBD CCOc1ccc(C(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)cc1[N+](=O)[O-] 28416029 ZZHZDZBKANTTJR-SFHVURJKSA-N 435.883 4.353 5 20 IIBD CN(CC(=O)Nc1ccccc1Br)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 30682783 NLWLZKVNJMBSNI-UHFFFAOYSA-N 432.196 4.451 5 20 IIBD COc1cc([N+](=O)[O-])ccc1OCC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 72068038 RIKROUAIWZUNRJ-HNNXBMFYSA-N 427.438 4.015 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N1CCC(C2OCCO2)CC1 110456793 QRNUWGZDEDGDQT-FQEVSTJZSA-N 445.903 4.013 5 20 IIBD COc1ccc(Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1S(=O)(=O)N1CCCCC1 111195117 IUTIIRFCPSPFBG-UHFFFAOYSA-N 448.526 4.131 5 20 IIBD Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3cc(-c4cccc([N+](=O)[O-])c4)n[nH]3)C2)c1 116303858 XNHJNMVUWUCTDO-SFHVURJKSA-N 447.495 4.093 5 20 IIBD CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303435599 GTMQVEFFCDWNHF-CQSZACIVSA-N 442.324 4.226 5 20 IIBD CCOC(=O)c1cc(C(=O)NCCc2nc(C3CCCCC3)cs2)cc([N+](=O)[O-])c1 303461849 LUEFTMKXLLFZQX-UHFFFAOYSA-N 431.514 4.248 5 20 IIBD C[C@@H]1CCC[C@@H](C)N(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 303919635 NZEGLEJWHFEITL-HZPDHXFCSA-N 431.514 4.046 5 20 IIBD COc1cc(C(=O)Nc2ccc(Cl)cc2I)ccc1[N+](=O)[O-] 389461436 SFHKAVFGBBCIIN-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD O=C(CCSc1n[nH]c(-c2ccccc2Br)n1)Nc1ccccc1[N+](=O)[O-] 409863726 DXMYIJZLTWSOPA-UHFFFAOYSA-N 448.302 4.263 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1COc2cc(F)c(Br)cc21 410031123 UGCMAQDAYXIKHV-ZDUSSCGKSA-N 430.617 4.405 5 20 IIBD CSc1ccccc1[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 410255344 WYMRDLRAGICGCF-DNVCBOLYSA-N 427.526 4.107 5 20 IIBD COc1cccc([C@@H](CC(=O)O)NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)c1OC 426826340 DTJWPLWYBMCZAQ-QGZVFWFLSA-N 426.425 4.178 5 20 IIBD CC1(C)[C@@H](NC(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C[C@H]1O 428327617 UNNBEHOHTUYDKX-RUQNTENUSA-N 437.521 4.411 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)ccc1OC1CCCC1 428878721 FFGIWNXKRWFELS-CYBMUJFWSA-N 431.876 4.327 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1ccccc1Br)c1ccc(Br)cc1[N+](=O)[O-] 431170911 DBQVFVLXKRTZHN-GXTWGEPZSA-N 440.091 4.406 5 20 IIBD C[C@@H](Cc1ccc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)C(=O)O 432003934 VPRAUJRRWSCDQK-LBPRGKRZSA-N 439.390 4.318 5 20 IIBD COc1ccccc1-c1noc(C2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)n1 432435939 JRLFCDPIOIAFLE-UHFFFAOYSA-N 442.859 4.327 5 20 IIBD CCn1nccc1C1CCN(C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 434011654 MVJAOPMXDFVPFU-ROUUACIJSA-N 439.560 4.313 5 20 IIBD Cc1cccc(-c2nnnn2[C@@H]2C[C@H]2C)c1NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl 436898618 HIPSIEGLVYHOPR-SJKOYZFVSA-N 441.879 4.113 5 20 IIBD O=C(Nc1cc2c(cc1Cl)OCCCO2)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 437604211 QHKDVDCYBIWHPH-UHFFFAOYSA-N 447.875 4.485 5 20 IIBD Cc1c(CC(=O)Nc2ccnn2Cc2cccc(Br)c2)cccc1[N+](=O)[O-] 439076000 DWIIJQPJEWVTQS-UHFFFAOYSA-N 429.274 4.092 5 20 IIBD Cc1c(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cccc1OCC(F)(F)F 439560120 HOFSMKJUUYJWST-UHFFFAOYSA-N 431.754 4.075 5 20 IIBD CSc1ccc(-c2nsc(NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)n2)cc1 440463242 OYWZOKVJCGPIHX-UHFFFAOYSA-N 438.494 4.273 5 20 IIBD Cc1ccc(S(=O)(=O)N(Cc2csc(Br)c2)C2CC2)c([N+](=O)[O-])c1 443736276 XMMRNMBVYJZHMU-UHFFFAOYSA-N 431.333 4.081 5 20 IIBD COc1ccccc1-c1cccc(NC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)c1 444272743 YYQNVVHHSYZOAO-UHFFFAOYSA-N 445.431 4.176 5 20 IIBD Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)c12 444629574 DGLJCNZXCTUCCJ-UHFFFAOYSA-N 449.515 4.333 5 20 IIBD CC(C)(CO)[C@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1ccccc1 446871578 NWBDPSGYWXVCMO-GOSISDBHSA-N 442.903 4.008 5 20 IIBD COc1cccc([C@@H]2CCCN2c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCCO2)c1 461134891 WOMZEXFGSXHGRJ-VXKWHMMOSA-N 449.511 4.382 5 20 IIBD CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)c1 462629540 URXFBFBEXZHCGS-VQIMIIECSA-N 447.557 4.020 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CN1CCCC1)c1ccc(OC)cc1 462774170 NWHFCKQOJSUIPJ-AUSIDOKSSA-N 425.529 4.125 5 20 IIBD Cc1nc(-c2ccccc2)sc1CNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 464407675 PSSPEYOGRCPGNE-UHFFFAOYSA-N 440.506 4.053 5 20 IIBD C[C@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCN1Cc1ccccc1 464900512 DJAQPBVOASBERV-KRWDZBQOSA-N 436.537 4.455 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)cc1[N+](=O)[O-] 466284767 CDOTXTHVJHMCAB-UHFFFAOYSA-N 439.449 4.136 5 20 IIBD Cn1cc(CCCNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])cn1 466754065 SBXAQGCSHGLFDC-UHFFFAOYSA-N 430.917 4.496 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3C[C@@H](C)OC4(CCOCC4)C3)cc2[N+](=O)[O-])cc1 468478111 FVYLUJKDENULMK-QGZVFWFLSA-N 442.537 4.465 5 20 IIBD Cn1nc([C@H]2CCCOC2)cc1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 468623118 WZKVJGBDCKPTGI-KRWDZBQOSA-N 436.468 4.054 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 470152269 QDDGRKABXRKDCV-UHFFFAOYSA-N 441.246 4.031 5 20 IIBD COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 470373115 MJPRKYHPXFXKRY-CYBMUJFWSA-N 430.848 4.100 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 473763232 IRPQJBUPPPQRMS-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 477498724 HXFVXOVSPDGIIY-UHFFFAOYSA-N 439.409 4.030 5 20 IIBD CC(=O)N[C@H](C)C1CCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 478695467 DNHJTORGEOSOEZ-MRXNPFEDSA-N 441.553 4.431 5 20 IIBD CCOc1cc(OCC(=O)c2ccccc2N2C(=O)c3ccccc3C2=O)ccc1[N+](=O)[O-] 478736863 UIYTZQDKZMQQKV-UHFFFAOYSA-N 446.415 4.056 5 20 IIBD COc1ccccc1-c1nc(C2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)CC2)no1 479571583 UXBLOIAMCXGXBG-UHFFFAOYSA-N 441.419 4.204 5 20 IIBD CCN(Cc1cccc(Br)c1)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 482411830 DFQNSLQQRFDYJH-UHFFFAOYSA-N 429.274 4.205 5 20 IIBD Cc1nc(-c2ccccc2NC(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cs1 484321755 NGIFZOJBCGFFKL-UHFFFAOYSA-N 436.493 4.156 5 20 IIBD CSc1nnnn1-c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c1 486740671 IXMYQVUOCUSXAK-UHFFFAOYSA-N 448.464 4.337 5 20 IIBD COC(=O)c1cc(NC(=O)NCc2ccc(OC)cc2C(F)(F)F)c(C)c([N+](=O)[O-])c1 486876662 WPKVTVFBVFFQEG-UHFFFAOYSA-N 441.362 4.039 5 20 IIBD O=C(c1ccc2noc(-c3ccc(F)cc3)c2c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 487021364 MSBRHOOPRIAPPU-UHFFFAOYSA-N 435.415 4.216 5 20 IIBD Cc1c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)nnn1-c1ccc(F)c(Cl)c1 490434351 WNPXZQHOELEASY-UHFFFAOYSA-N 429.839 4.081 5 20 IIBD CN(Cc1ncnn1CC(F)F)C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 490705818 PRIFITOIEZMSBI-UHFFFAOYSA-N 439.488 4.006 5 20 IIBD CCN(CC)CC(=O)Nc1cccc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])c1 490749152 AQYYXZQSKHTEJO-UHFFFAOYSA-N 447.495 4.189 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N(C)CCC(F)(F)F)c([N+](=O)[O-])c1 498952745 VGJZWRGKUZPXSC-UHFFFAOYSA-N 431.436 4.199 5 20 IIBD NS(=O)(=O)c1ccc(Nc2ccc(Oc3ccnc4ccccc34)cc2)c([N+](=O)[O-])c1 500400669 TXKKRUZPIBQTRY-UHFFFAOYSA-N 436.449 4.326 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(=O)N1CCc2ccc(F)cc21 501068994 NIZLRLMEPFNJFM-UHFFFAOYSA-N 443.481 4.474 5 20 IIBD CCCCn1c(=O)c2ccccc2n2c(SCc3c(F)cccc3[N+](=O)[O-])nnc12 504551338 BCCWLYZVUNAOQP-UHFFFAOYSA-N 427.461 4.184 5 20 IIBD C[C@@H]1CCCCN1C[C@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 505929685 GKUGHYXNTPBSSN-NHCUHLMSSA-N 431.580 4.268 5 20 IIBD CCOc1cc(CN(C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OC(F)F 506163800 UHSXFQUKVVBOLZ-AWEZNQCLSA-N 437.443 4.362 5 20 IIBD Cc1cc(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)ccc1[N+](=O)[O-] 507001398 LJYXHTLZECGURK-UHFFFAOYSA-N 433.302 4.144 5 20 IIBD O=C(Nc1cccc(Br)c1)C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 507295203 ZGXXLSKTETUDON-UHFFFAOYSA-N 448.317 4.087 5 20 IIBD Cc1cc(Br)cc2cc(C(=O)N3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)oc12 507389935 GADOKAJETPZXJG-AWEZNQCLSA-N 445.273 4.134 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NCCc1ccc([N+](=O)[O-])cc1 507849621 SILGNPXQVCSZKG-LLVKDONJSA-N 427.682 4.137 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CCCc2ccc(F)cc21 509314566 QCKJNVOIFAJLEJ-UHFFFAOYSA-N 440.212 4.240 5 20 IIBD CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 509398247 BVHYMMVFCASSMU-TZIWHRDSSA-N 447.322 4.392 5 20 IIBD O=c1ccc([N+](=O)[O-])cn1CCSc1ncnc2cc(-c3ccc(F)cc3)sc12 513270452 ACBFMHTZEOONIO-UHFFFAOYSA-N 428.470 4.360 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NC[C@@H](CO)c1ccccc1Cl 514723109 JVKWJMABXKXPSO-VIFPVBQESA-N 425.741 4.485 5 20 IIBD O=C(c1ccc(-c2cnco2)cc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 515588115 VLCHMJCVOXUBRY-UHFFFAOYSA-N 446.385 4.231 5 20 IIBD Cn1ccnc1-c1cccc(NCc2cc(I)cc([N+](=O)[O-])c2)c1 516269059 CEYIRAAEOOCWSV-UHFFFAOYSA-N 434.237 4.212 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)N(CC(=O)Nc1ccccc1F)Cc1ccccc1F 520063963 VABTUQDQMDDZRC-UHFFFAOYSA-N 439.418 4.463 5 20 IIBD COc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccn2)c([N+](=O)[O-])c1 520433662 WULOXCTVUJEJRZ-UHFFFAOYSA-N 444.451 4.170 5 20 IIBD CCN(C[C@H]1CCCO1)C(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 520992372 KXBMYHIDACSAEC-MRXNPFEDSA-N 428.510 4.189 5 20 IIBD CCCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)C(=O)Nc1ccccc1 522873964 AKTPXMSNQGTTBV-GJZGRUSLSA-N 433.892 4.281 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)ccc1[N+](=O)[O-] 523284600 VDEVUPXBUADORY-HTAPYJJXSA-N 439.512 4.172 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)c1ccc(Oc2ccccc2)cc1 523967034 UHEFFTKWZYSZKY-OAHLLOKOSA-N 435.436 4.212 5 20 IIBD COc1ccc(C2=NN(C(=O)COc3ccc(F)cc3[N+](=O)[O-])[C@H](c3ccco3)C2)cc1 524222826 QAAQEEAKRZZGIT-SFHVURJKSA-N 439.399 4.092 5 20 IIBD Cc1cc(CN(C)C(=O)NCc2cccc([N+](=O)[O-])c2)cc(C)c1OCC(F)(F)F 524341638 JQZKOSGFDBZGIE-UHFFFAOYSA-N 425.407 4.494 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 531264227 LGWFYTWEEQBETD-UHFFFAOYSA-N 438.505 4.281 5 20 IIBD CCCN([C@H](C)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] 532853431 GJFQSRCJOBFICH-LLVKDONJSA-N 435.333 4.280 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 533279758 HFXIGTUVVQMOQA-UHFFFAOYSA-N 439.491 4.326 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)[C@H]1CCCC[C@@H]1N(C)C1CCN(C)CC1 534205352 CCHUTMZCEMAZTL-SFTDATJTSA-N 431.581 4.013 5 20 IIBD O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CCc2ccc(Cl)cc21 534287898 CMZYLLOUTUPGBC-UHFFFAOYSA-N 428.613 4.056 5 20 IIBD C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cc(I)cc([N+](=O)[O-])c1 535742484 QVEDFDPBRCUGKA-SJCJKPOMSA-N 436.249 4.218 5 20 IIBD Cc1ccccc1Cn1c(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)nc2ccccc21 538907845 MEIJPUNLYQIQCW-UHFFFAOYSA-N 444.447 4.325 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CNc2cc(S(C)(=O)=O)ccc2C)cc1OC 541911102 YPPYJIXENVWGNJ-AWEZNQCLSA-N 436.530 4.352 5 20 IIBD O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 543184442 WSGYVGJVNAGVDO-CJNGLKHVSA-N 438.324 4.247 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCC[C@@H]1CCCCO1 546170347 OKMLYVJAZNYSRX-KRWDZBQOSA-N 449.529 4.165 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(Cc3cc(Br)c4c(c3)OCCCO4)no2)cc1 546366124 FPSNNLFUAPVWBV-UHFFFAOYSA-N 432.230 4.159 5 20 IIBD CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(OC2CCCC2)CC1 549763244 XDHXTMQWJKJQDC-UHFFFAOYSA-N 443.548 4.208 5 20 IIBD CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 551474434 HKBLVMSEGNJOCU-YJYMSZOUSA-N 447.919 4.377 5 20 IIBD COc1cc(C(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)cc([N+](=O)[O-])c1OC 556481523 GSXYWGWAEVZKIX-UHFFFAOYSA-N 433.873 4.319 5 20 IIBD CCC(CC)(CNC(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 565560271 KNKKTOHVMGLRDB-UHFFFAOYSA-N 433.892 4.070 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3nn(-c4c(F)cccc4F)cc3C)n2)c1 568444271 XKBQTDSWCJSTTK-UHFFFAOYSA-N 427.367 4.017 5 20 IIBD Cn1ccnc1[C@@H](NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1cccc([N+](=O)[O-])c1 571588497 LXXDAOZPYLGEPZ-YADHBBJMSA-N 439.947 4.498 5 20 IIBD O=C1NC2(CCCC2)C(=O)N1c1cccc(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)c1 573973423 JDLUPHZWWPPPTP-UHFFFAOYSA-N 446.410 4.177 5 20 IIBD O=C(Nc1ccc(F)cc1OCCC(F)(F)F)c1cc([N+](=O)[O-])cc2c1OCCO2 584005814 LOAWZHCQWDQALT-UHFFFAOYSA-N 430.310 4.089 5 20 IIBD CC(C)(NC(=O)c1cc(F)ccc1I)c1ccccc1[N+](=O)[O-] 590454854 MHEMULDEDPCMBH-UHFFFAOYSA-N 428.201 4.004 5 20 IIBD COc1cc(OC)c(C2CCN(C(=O)c3ccc(SC)c([N+](=O)[O-])c3)CC2)c(OC)c1 591564674 PCZAOELLSZPZPT-UHFFFAOYSA-N 446.525 4.362 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(C(=O)c2cccc3ccccc23)CC1 603646150 XAUBLLNFHNXILZ-UHFFFAOYSA-N 438.871 4.391 5 20 IIBD O=C(Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1)c1ccc([N+](=O)[O-])cc1F 603941883 GNPKNUWBGKODSL-UHFFFAOYSA-N 448.498 4.304 5 20 IIBD CCc1cccc2c(C3CCN(S(=O)(=O)c4ccc(OC)cc4[N+](=O)[O-])CC3)c[nH]c12 604043052 VQMJIDMQSNPQQS-UHFFFAOYSA-N 443.525 4.215 5 20 IIBD Cn1cc(C(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 604336933 VUXLZHUHYVKOLW-SFHVURJKSA-N 429.480 4.496 5 20 IIBD O=C(NCCCc1nc2c(s1)CCCC2)c1csc(-c2cccc([N+](=O)[O-])c2)n1 608901880 BWSILDJRUYBXQY-UHFFFAOYSA-N 428.539 4.416 5 20 IIBD CC(C)C(=O)N1CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 609025066 RCOOYXMPEWXSMW-UHFFFAOYSA-N 445.903 4.371 5 20 IIBD CCOc1cc2c(cc1CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])O[C@H](C)C2 609722289 QKKMOSICCBSFAW-CYBMUJFWSA-N 434.876 4.056 5 20 IIBD COC(=O)c1csc(S(=O)(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1 609761105 AHFHSFXBDRDBTM-UHFFFAOYSA-N 434.451 4.036 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 609762916 RWRPZRRKUKBABE-QGZVFWFLSA-N 438.484 4.253 5 20 IIBD CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)CNc1ccccc1[N+](=O)[O-] 609993560 ZVSLRUVGFANQES-UHFFFAOYSA-N 429.864 4.149 5 20 IIBD COC(=O)c1cc(NC(=O)c2cccc(-c3noc(CC(C)(C)C)n3)c2)cc([N+](=O)[O-])c1 610198726 CMJQTXKJCNMRCJ-UHFFFAOYSA-N 438.440 4.272 5 20 IIBD O=C(NCCOC[C@@H]1CCOC1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 613441307 KISIGDPXJVPXPP-CQSZACIVSA-N 436.917 4.182 5 20 IIBD Cc1ccc(-n2nc(C(C)(C)C)cc2NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 727248024 ACERYDYPTGQARA-UHFFFAOYSA-N 432.477 4.326 5 20 IIBD C[C@@H](OC(=O)[C@@H]1CCOc2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 728356465 JHNIKXLSDMXUCM-BXUZGUMPSA-N 438.358 4.050 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)c1cnn(-c2ncccc2Cl)c1C(F)F 730885259 CDOXJPAHIYMDTR-UHFFFAOYSA-N 438.774 4.132 5 20 IIBD O=Cc1ccc(OCC(=O)N[C@@H](c2ccc(Cl)cc2)c2ccsc2)c([N+](=O)[O-])c1 731619215 ZFRUZNDZFSBFDL-FQEVSTJZSA-N 430.869 4.407 5 20 IIBD C[C@@H](OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC(F)(F)F)cc1 736877293 WIBRNPNONGLDIJ-SECBINFHSA-N 432.738 4.331 5 20 IIBD C[C@@H]1CN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C 740870824 JFDSCUORDNSGSM-ZYHUDNBSSA-N 448.398 4.261 5 20 IIBD O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](c1ccccc1)N1CCSCC1 741189780 RXIYPHVZNDIQMH-HXUWFJFHSA-N 439.493 4.083 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)OCc1nc(O[C@@H](C)c2ccccc2)ccc1Cl 742224737 HUVOOPGKXXIPQI-AWEZNQCLSA-N 444.875 4.422 5 20 IIBD CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2scnc2C)NC(=S)N1CC(C)C 743740085 OWRJDJSNJOUXEU-QGZVFWFLSA-N 445.570 4.160 5 20 IIBD Cc1cc(C(=O)COC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c(C)n1Cc1ccco1 744616790 WUAFSJCTZQXHQF-UHFFFAOYSA-N 435.436 4.035 5 20 IIBD C[C@@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 745074072 OLDGZOGHQQSYPE-LLVKDONJSA-N 435.820 4.004 5 20 IIBD O=C(OCCn1cnc([N+](=O)[O-])n1)c1oc2ccccc2c1COc1ccccc1Cl 749076361 JFDFOHJOBHOSRP-UHFFFAOYSA-N 442.815 4.022 5 20 IIBD Cc1ccc(C)c(C(=O)CCC(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 749357206 DNUCQLNFSBRDOI-UHFFFAOYSA-N 425.485 4.029 5 20 IIBD O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCO[C@@H](c2ccccc2Br)C1 750764218 LZXUNHUELROLRG-QGZVFWFLSA-N 430.258 4.052 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2cccc3nc(O)oc23)c2ccccc2)c([N+](=O)[O-])c1 751928996 HCDGINWONQNEFG-LJQANCHMSA-N 447.403 4.287 5 20 IIBD CCOc1ccccc1C(F)(F)C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 753494068 LOVZXPCGBDEZBO-GFCCVEGCSA-N 433.367 4.440 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@H](C[C@@H]1CCOC1)c1ccccc1 753821462 IQDFGMRBPUZOPB-SUMWQHHRSA-N 426.441 4.171 5 20 IIBD CC(C)(C)C(=O)Nc1ccc(C(=O)COC(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cc1 754986508 XAVQEVUXTGFDIU-UHFFFAOYSA-N 436.823 4.412 5 20 IIBD CCc1cc[n+](/C(C(=S)NC[C@H]2CCCCO2)=C(/O)c2ccc(C)c([N+](=O)[O-])c2)cc1 759062774 HPYWZDZASHMQFL-LJQANCHMSA-O 442.561 4.123 5 20 IIBD Cc1cc(F)cc(C(=O)Nc2nc3c(s2)CCN(Cc2ccccc2)C3)c1[N+](=O)[O-] 760363907 GVFWZYGIUVAVMZ-UHFFFAOYSA-N 426.473 4.309 5 20 IIBD CCN([C@@H](C)c1cccc(OC)c1)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 760857227 VAZCPZVJXGAYJG-LBPRGKRZSA-N 443.319 4.138 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC[C@H]1Cn1cnc2ccccc21 760857632 WSRCCGOQXCNKAL-ZDUSSCGKSA-N 429.274 4.012 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc(Cn2c(-c3ccc(F)cc3)c(C)sc2=O)n1 762072612 WHCZRWVLVIKGIO-UHFFFAOYSA-N 426.429 4.339 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Br)c(Cl)c1 764107033 JBRFLMDABXDCPF-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C)C(=O)Nc1cc(Cl)ccc1OC 765523140 CUBPVUYPBHBHGD-HIFRSBDPSA-N 434.876 4.396 5 20 IIBD Cc1cccc([C@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c2ccccn2)c1 765726293 YIIDMKQDAONVDW-FQEVSTJZSA-N 431.901 4.328 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@@H](C)C[C@H](O)c3ccc(F)cc3)cc2[N+](=O)[O-])CC1 766726431 YYMFHAXMRNNOML-AOMKIAJQSA-N 429.492 4.212 5 20 IIBD O=C(/C=C/c1ccccc1)N1CCC(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 768942758 AQFJQFAAHWNVSA-FMIVXFBMSA-N 433.508 4.038 5 20 IIBD CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 769906999 UZWSLKLLTCHXIQ-GOSISDBHSA-N 431.832 4.445 5 20 IIBD CCOC(=O)/C(=C\c1ccc([N+](=O)[O-])c(OC)c1)c1nc(O)c2c(C)c(C)sc2n1 770565669 IGFHTGQVSNZTSA-JYRVWZFOSA-N 429.454 4.034 5 20 IIBD Cc1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 772267434 CAHJUTRIPSKIES-GOSISDBHSA-N 439.903 4.452 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNC[C@H]2COC3(CCCC3)O2)cc1 773414161 JOBRBYUSXAYVFG-QFIPXVFZSA-N 434.496 4.223 5 20 IIBD C[C@H](OC[C@H]1CCCCO1)C(=O)O[C@@H](c1ccc(Br)cc1)C(C)(C)[N+](=O)[O-] 774367283 GOUFPDUUVBTDKP-XKQJLSEDSA-N 444.322 4.063 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 778074554 RODCLXLFIVWWAW-ZBEGNZNMSA-N 443.244 4.342 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)cc2F)C[C@H](C)O1 778605112 VUIXCMZGLBZSIW-RYUDHWBXSA-N 439.390 4.201 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccnc(SC(C)(C)C)c1 778862670 MPGIKLRYHJYCBR-LBPRGKRZSA-N 433.486 4.073 5 20 IIBD O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 780518168 MSOXDPZUOURTLA-UHFFFAOYSA-N 448.482 4.259 5 20 IIBD COc1ccc(C[C@@H](C)C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC 781313644 CNAVJKISXDFNDM-ZIAGYGMSSA-N 441.440 4.145 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCC[C@H](COc2ccccc2Cl)C1 781708953 BFLKCJYNSCWFEM-HNNXBMFYSA-N 447.875 4.407 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2-c2csc(C)c2)cc1[N+](=O)[O-] 783534554 VGGOUBADQAMYOF-UHFFFAOYSA-N 448.482 4.006 5 20 IIBD C[C@H](OCCCNC(=O)COc1cc([N+](=O)[O-])ccc1Br)c1ccccc1 786744213 NDSDZUFCFMTCHJ-AWEZNQCLSA-N 437.290 4.020 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CC[C@]3(C)[C@@H](C2)C3(Cl)Cl)c1=S 789488897 UFIQXDXJRNYTAZ-RHSMWYFYSA-N 442.372 4.482 5 20 IIBD O=C(N1CCC(COc2ccc(Cl)nc2)CC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 790094894 XVKMXOZJAKNEBO-UHFFFAOYSA-N 425.819 4.053 5 20 IIBD C[C@@]12CCN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C[C@@H]1C2(Cl)Cl 790379020 KRAPFHFFCQYSEU-CMPLNLGQSA-N 434.128 4.106 5 20 IIBD C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 793600613 UQPUEUHTGCTPAZ-KUHUBIRLSA-N 447.417 4.292 5 20 IIBD CN(C)C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccc(Cl)cc1 802677450 CZKNUXAYXBNFKP-CQSZACIVSA-N 426.698 4.043 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(c3nnc(C4CCCC4)n3Cc3cccs3)CC2)cc1 802702103 VFTYJTCYUDHMAN-UHFFFAOYSA-N 438.557 4.280 5 20 IIBD O=C(COC(=O)c1cc(F)c(C(F)(F)F)cc1F)Nc1cc([N+](=O)[O-])ccc1Cl 805592979 PFULCGIZMBPAGW-UHFFFAOYSA-N 438.692 4.341 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(NCc2cccc3c2CCCN3C(=O)OC(C)(C)C)n1 808100596 HRGMMMPXQDAUFT-UHFFFAOYSA-N 442.472 4.076 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 809912307 CBAMDEHPRBTPSX-HNNXBMFYSA-N 427.791 4.455 5 20 IIBD C[C@H](N[C@H]1c2ccccc2CC12CCOCC2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 810080199 XMHIFWWHMWMVOM-XOBRGWDASA-N 429.904 4.259 5 20 IIBD CCOC(=O)Nc1ccc(NCc2cc(I)cc([N+](=O)[O-])c2)cc1 810133918 RPOKTBFISYZTFZ-UHFFFAOYSA-N 441.225 4.380 5 20 IIBD C[C@H](CCC1CCCCC1)NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810365892 YVGZPTJTSBLFDD-GFCCVEGCSA-N 426.311 4.161 5 20 IIBD COC(=O)c1cc(C(=O)OCc2csc(COc3ccc(C)cc3)n2)cc([N+](=O)[O-])c1 811531924 GOIKRVVYCNORBS-UHFFFAOYSA-N 442.449 4.082 5 20 IIBD C[C@H](OC(=O)c1c[nH]nc1-c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 811618996 MCRKUMUUDZUOBM-NSHDSACASA-N 448.357 4.188 5 20 IIBD CCCCN1C(=O)CC[C@H](c2nc(CCC(C)(C)[N+](=O)[O-])no2)[C@H]1c1ccccc1OC 812813538 KSLVXPRUKJYXBB-LAUBAEHRSA-N 444.532 4.314 5 20 IIBD CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 813155402 WTPFHYZVECWKTH-OAHLLOKOSA-N 442.459 4.308 5 20 IIBD CCS(=O)(=O)c1ccc(Br)c(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)c1 813245914 OHJKSDYGYJEIRR-UHFFFAOYSA-N 447.694 4.057 5 20 IIBD CCc1ccc([C@H](C)NC(=O)[C@@H](C)OC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 856620582 OXTBAKXPDSFHRR-ARFHVFGLSA-N 430.526 4.447 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2nc(COc3ccccc3)cs2)cc([N+](=O)[O-])c1 884002098 QQFYEDDZJYPWBP-UHFFFAOYSA-N 427.438 4.059 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)CCCCc2nc3ccccc3s2)cc([N+](=O)[O-])c1C 916178408 NOMRCIGKBRDQAA-UHFFFAOYSA-N 447.538 4.039 5 20 IIBD CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1Cl 918399742 LLOUXBRHCUBJIB-UHFFFAOYSA-N 443.884 4.107 5 20 IIBD C[C@@H]1CN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)cc2F)C[C@@H](C)O1 918601140 VMOIVGIRBVXQSJ-HZPDHXFCSA-N 442.491 4.200 5 20 IIBD CC(C)c1cccc(O[C@H](C)C(=O)OCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 920148288 JRLCXFWSQBWIQM-CQSZACIVSA-N 434.876 4.112 5 20 IIBD O=C(NCC1(c2ccc(F)cc2)CCCCC1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 920197095 DZCURWFSVHXYJP-UHFFFAOYSA-N 433.867 4.344 5 20 IIBD C[C@@H](C(=O)Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-])S(=O)(=O)c1ccc(F)cc1 920329672 NKKWZLLHPJHIQJ-AWEZNQCLSA-N 429.425 4.169 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCCCc1nc(-c2ccccc2)no1 920778929 RGZHXUVBIYPRFQ-ZDUSSCGKSA-N 431.832 4.242 5 20 IIBD COc1ccc(NC(=O)N(Cc2c(C)noc2C)Cc2c(C)noc2C)c([N+](=O)[O-])c1 1123270020 ZRZQWDMJUPKZRM-UHFFFAOYSA-N 429.433 4.047 5 20 IIBD Cc1cccc(C(=O)OCC(=O)N(CC(F)(F)F)c2ccc(Cl)cc2)c1[N+](=O)[O-] 1317718402 NTDFVFFPORICMT-UHFFFAOYSA-N 430.766 4.309 5 20 IIBD C[C@@H](OC(=O)CCn1cc([N+](=O)[O-])cn1)c1ncc(-c2ccc(Cl)c(Cl)c2)o1 1319518259 HNPLTUXBIIEPKB-SNVBAGLBSA-N 425.228 4.448 5 20 IIBD CC(C)(C)OC(=O)Nc1cc(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)ccc1F 1320821831 FOOSMPSZOYLTGE-SFHVURJKSA-N 444.419 4.213 5 20 IIBD CC(C)n1ncc2c1[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])CCC2 1325529512 IKZYJTFGUFDSRJ-CYBMUJFWSA-N 433.317 4.035 5 20 IIBD COc1ccc(CN[C@@](C)(C(=O)O)c2ccccc2)cc1OCc1ccc([N+](=O)[O-])cc1 1331946777 HXIFHWTVDHUYIU-XMMPIXPASA-N 436.464 4.272 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)s1 1800350764 ISWZFUHTFWXPFK-ZSBIGDGJSA-N 437.880 4.014 5 20 IIBD Cc1cc(F)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2c(F)ccc([N+](=O)[O-])c2C)c1 1800699749 CLDVGSRRZZVTIF-BCDXTJNWSA-N 443.450 4.055 5 20 IIBD CC1=CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CSc2ccccc2[N+](=O)[O-])CC1 1802182084 FTLWXWVCRSXGOC-OKYOBFRVSA-N 443.569 4.072 5 20 IIBD O=C(/C=C/c1cccs1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1[N+](=O)[O-] 1804338570 NYHZDXOATJYAQA-VWXCIMHTSA-N 437.521 4.021 5 20 IIBD Cc1csc(C(=O)N2CC3(CCCN3C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C2)c1 1845738559 YOZNRNBIBGSJLL-UHFFFAOYSA-N 441.534 4.310 5 20 IIBD Cc1ccc(C2=NN(C(=O)COC(=O)c3cccc(C)c3[N+](=O)[O-])[C@H](c3ccco3)C2)cc1 9022432 FHSXHXCYJJILKX-FQEVSTJZSA-N 447.447 4.339 5 20 IIBD O=C(OCc1cc2c(cc1Br)OCCO2)c1cc([N+](=O)[O-])ccc1Cl 10665784 RNERPVIRALEJND-UHFFFAOYSA-N 428.622 4.139 5 20 IIBD C[C@H](OC(=O)c1cc2ccccc2[nH]1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 11226218 GFQXKWIQEPBGRE-LBPRGKRZSA-N 436.449 4.384 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)COc2ccc(C=O)cc2)c2ccccc2)c([N+](=O)[O-])c1 28803586 VWOMCWUTBWTBHD-HSZRJFAPSA-N 448.431 4.018 5 20 IIBD C[C@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)Nc1ccc([N+](=O)[O-])cc1 36802323 AVXXLFUWKJPNIL-QMMMGPOBSA-N 445.810 4.429 5 20 IIBD COc1cc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc(Cl)c1OCC(C)C 57567496 CBAMRPPICOHOAR-UHFFFAOYSA-N 447.919 4.254 5 20 IIBD O=C(NC1CC1)c1ccc(NCc2ccc(Cn3cnc4ccccc43)cc2)c([N+](=O)[O-])c1 60863478 RHBQCQFSIWJGDP-UHFFFAOYSA-N 441.491 4.497 5 20 IIBD Cn1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)c(-c2ccc([N+](=O)[O-])cc2)n1 63495096 BKFXXJASPXVTKR-JOCHJYFZSA-N 429.436 4.355 5 20 IIBD O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 78610400 KMVBVVBBWLEWFA-MRXNPFEDSA-N 439.230 4.131 5 20 IIBD Cc1ccc(CN(Cc2ccco2)C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])s1 97575823 WGTCWIZATRMOCF-UHFFFAOYSA-N 447.900 4.170 5 20 IIBD O=C(NCc1cccc(CN2CCCCCC2)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 109504771 PASNIOJXAXWKGZ-UHFFFAOYSA-N 433.512 4.087 5 20 IIBD COc1cc(OC)cc([C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)c2nccn2C)c1 237467088 QUFSCJFHYBFTSJ-QHCPKHFHSA-N 448.479 4.485 5 20 IIBD CS(=O)(=O)c1cccc(N2CCC(c3nc4cc(Cl)ccc4o3)CC2)c1[N+](=O)[O-] 301891916 OIRLEGPVPWBDTE-UHFFFAOYSA-N 435.889 4.177 5 20 IIBD CCCc1[nH]nc(C(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)c1[N+](=O)[O-] 410169117 GVEOWAXCHUJJKG-UHFFFAOYSA-N 428.386 4.390 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCc3cc(Cl)ccc32)c(Br)c1 410325512 JYWPEFPOPOKUIJ-UHFFFAOYSA-N 431.695 4.152 5 20 IIBD CN(C)CCN(Cc1cccc(F)c1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 426273828 ABNXMTHURKWKOT-UHFFFAOYSA-N 442.413 4.026 5 20 IIBD O=C(O)[C@H](Cc1ccc(O)cc1)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 426645601 HOOWBFHIFNHVCR-IBGZPJMESA-N 426.400 4.017 5 20 IIBD O=C(O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(Oc2cc(F)cc(F)c2)cc1 426783026 JAMXIODRLXOEHS-NRFANRHFSA-N 428.391 4.451 5 20 IIBD C[C@@H]1CCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1(F)F 427542894 IDWVJGUSBOPQOU-GFCCVEGCSA-N 435.393 4.334 5 20 IIBD CC(C)n1cnnc1CN(C)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 429278843 RQVZRNDEOUFRPS-FQEVSTJZSA-N 442.907 4.232 5 20 IIBD CC(C)(NC(=O)c1n[nH]c(-c2ccccc2)c1Br)c1ccc([N+](=O)[O-])cc1 430879224 MYTIFNHLEOECHO-UHFFFAOYSA-N 429.274 4.413 5 20 IIBD Cc1nn(CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)c2ccc([N+](=O)[O-])cc12 432246947 OPVXPGDIKRDJCM-SFHVURJKSA-N 435.465 4.285 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 439880546 KGLRNQBLCUQYNM-UHFFFAOYSA-N 442.516 4.036 5 20 IIBD CC(=O)c1ccc(OCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 440870960 UXVBGUHDRLENLW-QHCPKHFHSA-N 436.489 4.412 5 20 IIBD O=C(NCCC(=O)N1CCCCCC1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 442022398 BFFNFLGDZLOJJP-UHFFFAOYSA-N 427.526 4.269 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 443942320 BEZAJBNHTDJXDK-UHFFFAOYSA-N 427.486 4.302 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCC[C@H]2C(F)(F)F)c(C(F)(F)F)c1 447038357 LDYUCROQBMEHMK-GXSJLCMTSA-N 434.358 4.261 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3C[C@@H](O)Cc4ccccc43)cc2[N+](=O)[O-])n1 447715809 QTHAKPOWKXTDTJ-HNNXBMFYSA-N 427.507 4.075 5 20 IIBD O=[N+]([O-])c1ccc2c(ccn2Cc2nc(-c3ccccc3I)no2)c1 460743200 MZXORPPJCGTCLO-UHFFFAOYSA-N 446.204 4.252 5 20 IIBD Cc1sc2nc(CCC(=O)N3CCS[C@@H]3c3ccc([N+](=O)[O-])cc3)nc(O)c2c1C 461700912 ADFNAVFMIHXJJO-HXUWFJFHSA-N 444.538 4.129 5 20 IIBD Cc1cccc(-c2cnc([C@H]3CCCN3S(=O)(=O)c3ccc(C)cc3[N+](=O)[O-])[nH]2)c1 462609492 CDOBEXZFEMAZMM-GOSISDBHSA-N 426.498 4.128 5 20 IIBD CC[C@@H]1CN(c2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2[N+](=O)[O-])CCS1 463030091 RAOKZYYDMJXMCW-QGZVFWFLSA-N 435.571 4.142 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCN([C@H](C)c3ccsc3)CC2)cc1[N+](=O)[O-] 463033224 JJCLQTLMOCQNFR-CYBMUJFWSA-N 438.347 4.246 5 20 IIBD O=C(NCCN1CCc2ccccc2C1=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 466517039 UCHCGYXRDHHFJJ-UHFFFAOYSA-N 447.516 4.174 5 20 IIBD CCc1cc(N(C)Cc2nc([C@@H](C)OCC(C)C)no2)nc(-c2ccc([N+](=O)[O-])cc2)n1 467005209 JBTZWTJPLOEUGS-OAHLLOKOSA-N 440.504 4.367 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1F)N(Cc1cccc(Br)c1)C1CCOCC1 468149458 HQMLMOCATKSJDY-UHFFFAOYSA-N 437.265 4.318 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)c1ccccc1Oc1ccccc1 468886533 HJOGFRBCCWLGER-DNVCBOLYSA-N 437.500 4.497 5 20 IIBD CS(=O)(=O)c1cc(C(=O)Nc2ccccc2Oc2cc(F)cc(F)c2)cc([N+](=O)[O-])c1 469195589 LXAFTDROBGGCMW-UHFFFAOYSA-N 448.403 4.321 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC(Cc2ccc(F)c(F)c2)CC1 469378278 DCJSHPKGOMYNRK-UHFFFAOYSA-N 426.423 4.154 5 20 IIBD C[C@@H]1CN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C[C@@H](c2ccsc2)O1 470710710 HELCHUYEUCFUHO-BZNIZROVSA-N 430.404 4.200 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@@H](CN(C)CC3CC3)C2)c([N+](=O)[O-])c1 470979099 YKOLGJDMUWKWGJ-GBXCKJPGSA-N 436.556 4.247 5 20 IIBD CCc1ccc(-c2noc([C@@H](C)NC(=O)c3cc(SC)c(OC)cc3[N+](=O)[O-])n2)cc1 472401511 GYURMOSVBBJPQD-GFCCVEGCSA-N 442.497 4.429 5 20 IIBD CC(C)(C)c1ncsc1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 473489253 IXQYCVUOJJGGQQ-UHFFFAOYSA-N 442.463 4.330 5 20 IIBD CCCOc1cc(NC(=O)c2csc(-c3cnccn3)n2)c([N+](=O)[O-])cc1OCCC 476613894 UIEBARGVVMPSQR-UHFFFAOYSA-N 443.485 4.338 5 20 IIBD C[C@@H](CCc1ccc(I)cc1)NC(=O)c1ccc(F)cc1[N+](=O)[O-] 477661452 FIKBFSUGRDVZNN-NSHDSACASA-N 442.228 4.090 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCN(C2CC2)c2cc(F)ccc21 479174984 JMRVHIUYGXLFLE-UHFFFAOYSA-N 427.479 4.309 5 20 IIBD C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C[C@]2(CCCOC2)O1 482956502 FFCTZQXIADYFQJ-AOMKIAJQSA-N 428.510 4.156 5 20 IIBD Cn1nc([N+](=O)[O-])cc1C(=O)Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCC2 483994476 NSCLOUQCALLDFR-UHFFFAOYSA-N 430.873 4.015 5 20 IIBD COc1cc([C@H]2Nc3cc(Cl)ccc3C(=O)N2C)c([N+](=O)[O-])cc1OCC(F)F 484935746 KWYISKNDGYZPDM-KRWDZBQOSA-N 427.791 4.097 5 20 IIBD COC(=O)[C@](C)(CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccccc1 485706978 DGCIAUDCQGPFSP-RUZDIDTESA-N 448.475 4.035 5 20 IIBD Cc1cccc(N2CCC(NC(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)CC2)n1 489168952 FTNUSJIFVICBBT-UHFFFAOYSA-N 445.523 4.309 5 20 IIBD COc1cc(CNCC2(c3ccccc3)CCOCC2)c([N+](=O)[O-])cc1OCC(F)F 491028411 DKZJWSKXSRACIJ-UHFFFAOYSA-N 436.455 4.085 5 20 IIBD CN(C)[C@@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccccc1Cl 496407568 OLVHNHMVMRXITG-KRWDZBQOSA-N 445.825 4.222 5 20 IIBD CCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)[C@H](c1ccc(Cl)cc1)c1cccnc1 496446052 FLSQJJJTYBCPSQ-OAQYLSRUSA-N 427.892 4.176 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1cccc(OC(F)F)c1 497084467 YYTVCUSQVCXUQZ-UHFFFAOYSA-N 433.333 4.333 5 20 IIBD CC(C)N(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(Br)cn1 497794450 DBMSTLFOPXQGSR-UHFFFAOYSA-N 430.205 4.409 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1 498404560 QRBVBUXWLZPUED-UHFFFAOYSA-N 432.502 4.112 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@@H](C)c2cn(C)nc2C)c([N+](=O)[O-])c1 498940644 QWLPZSSPIDTJAM-HNNXBMFYSA-N 443.529 4.025 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCCC2=O)c(OC)c1 502650368 GQRKDPMGHGKYCT-UHFFFAOYSA-N 429.498 4.485 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 503436378 PGCGELAODKJPPW-UHFFFAOYSA-N 445.475 4.134 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(NC(=O)[C@H]2CCCO2)c1 505953075 LOBSALAGSWOTSA-LJQANCHMSA-N 443.525 4.144 5 20 IIBD C[C@H](NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1Oc1ccccc1 506141994 CYVCJCAKBHGFAF-DLBZAZTESA-N 433.464 4.383 5 20 IIBD COc1ccc(Br)cc1CN(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 506775192 WEPXIONSZMDJSE-UHFFFAOYSA-N 445.317 4.398 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1(c2ccc(Br)cc2)CCOCC1 508590254 TUDXDZAAHXMJAN-UHFFFAOYSA-N 433.302 4.064 5 20 IIBD Cc1ccc(Br)cc1-c1noc(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)n1 508616263 UIBRHLQKAQNAIS-UHFFFAOYSA-N 432.230 4.078 5 20 IIBD O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1I 508770802 QHPRTRJUSLOCFI-RWMBFGLXSA-N 428.270 4.288 5 20 IIBD Cc1c(Br)cc(C(=O)N2CC[C@H](COCc3ccccc3)C2)cc1[N+](=O)[O-] 510025340 CGVMEIALJLZMRO-INIZCTEOSA-N 433.302 4.345 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC(C)(c3nc(C)no3)CC2)c([N+](=O)[O-])c1 510392108 BHGNOOIKRJUYSK-NRFANRHFSA-N 449.511 4.328 5 20 IIBD CC[C@H](NC(=O)c1cc(OC)c(OCCOC)cc1[N+](=O)[O-])c1ccc(Cl)s1 510758458 LRSZZSXYAQDEBM-LBPRGKRZSA-N 428.894 4.225 5 20 IIBD CC(C)CN(C(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)C1CCN(C)CC1 511029781 MEJXIQHWRHYKFT-KDURUIRLSA-N 430.593 4.270 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](CNC(=O)c2ccco2)C1 514192513 JBPIWCKURYNVDI-INIZCTEOSA-N 445.541 4.362 5 20 IIBD CCCC[C@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(OC)cc1 518135870 YTSPPEIBKVMBOH-KRWDZBQOSA-N 433.892 4.034 5 20 IIBD C[C@@H]1CN(C)CCN1C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 518790058 UHGFCYSEKIMUHY-OKSBFYSISA-N 436.537 4.298 5 20 IIBD Cc1cccc(C(=O)N2CCCC2)c1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 522574651 DPTSHFIKTFKJKE-UHFFFAOYSA-N 431.876 4.200 5 20 IIBD COCCCN(C)C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 522768260 QUODLCQMUGNROX-UHFFFAOYSA-N 425.844 4.358 5 20 IIBD COC[C@@H]1CCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)C1 525329019 VHWPHVQZSOLOOO-AUUYWEPGSA-N 448.317 4.005 5 20 IIBD CC(C)Cn1ncc(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C(F)F 535370736 DGMJOHSWODUZPK-UHFFFAOYSA-N 449.380 4.246 5 20 IIBD COc1ccc(CCN(CC(C)C)C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cc1OC 535700651 PHZGSNGOPSYHEX-UHFFFAOYSA-N 425.485 4.434 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)cc1[N+](=O)[O-] 539757079 PFIASYRCTAWAQM-UHFFFAOYSA-N 449.492 4.414 5 20 IIBD C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 540134854 UAPJHFKQKZXSNQ-LBPRGKRZSA-N 436.295 4.167 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1 540483812 QERMABBWUURJOY-CQSZACIVSA-N 442.337 4.337 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 542709825 ZWFAZXDEZLSCQA-UHFFFAOYSA-N 440.397 4.493 5 20 IIBD COC(=O)[C@H](C)Cc1ccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 544733686 HGUPDJZOEMSOJG-CYBMUJFWSA-N 425.466 4.322 5 20 IIBD CC(C)(C)C(=O)Nc1ccc(F)c(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)c1 545671385 ZGYZJBNOANFZMW-UHFFFAOYSA-N 427.436 4.423 5 20 IIBD COc1cc(Cc2noc(-c3cnc4c(cnn4Cc4ccccc4)c3)n2)ccc1[N+](=O)[O-] 545777498 LCGXQLXXXRAVEW-UHFFFAOYSA-N 442.435 4.037 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1cn2cc(Br)cc(C)c2n1 546111409 CGGJMVFSHXQTHV-UHFFFAOYSA-N 431.290 4.169 5 20 IIBD COc1ccc(Cc2noc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)n2)cc1OC(F)F 546384040 QSJVBSMWEHXWNM-UHFFFAOYSA-N 430.367 4.251 5 20 IIBD COc1cc(Cc2noc([C@H]3CCCN(Cc4cccc(F)c4)C3)n2)ccc1[N+](=O)[O-] 546488537 HTHLTUTYUIVRJI-KRWDZBQOSA-N 426.448 4.096 5 20 IIBD O=C(NCc1ccco1)c1cccc(-c2noc(/C=C\c3ccc(F)cc3[N+](=O)[O-])n2)c1 546975663 AWFQVMVYCXSKKC-CLFYSBASSA-N 434.383 4.477 5 20 IIBD NC(=O)c1ccc(SCC(=O)NCc2ccc(C3CCCCC3)cc2)c([N+](=O)[O-])c1 554359651 HQXQVFOUHHSVPC-UHFFFAOYSA-N 427.526 4.150 5 20 IIBD CSC[C@@H]1CCCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 558127403 QHGZCSNDTCQNSH-CQSZACIVSA-N 445.507 4.432 5 20 IIBD COc1cc(OC)cc(C2(F)CCN(C(=O)c3cc(OC)c(C)c([N+](=O)[O-])c3)CC2)c1 558816096 GWFYKNIOHGUKLA-UHFFFAOYSA-N 432.448 4.030 5 20 IIBD CC(C)S(=O)(=O)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c1 559755867 QTUZFOXYVLAITO-UHFFFAOYSA-N 430.404 4.189 5 20 IIBD Cn1ccnc1[C@H](N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1cccc([N+](=O)[O-])c1 560544488 LEFLXVUWSONMBB-MGPUTAFESA-N 429.883 4.079 5 20 IIBD O=[N+]([O-])c1cc2c(Sc3nnc(-c4cccs4)n3C[C@H]3CCCO3)ncnc2s1 570834374 NJRFQVKZAQJZAG-SNVBAGLBSA-N 446.539 4.250 5 20 IIBD C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1ccc2nccnc2c1Br 578919760 OJZQJXRLRSBNDN-NSHDSACASA-N 430.262 4.130 5 20 IIBD COc1cc(CNC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)ccc1OCc1ccc([N+](=O)[O-])cc1 579163581 MVVWLWZPGDKCOM-JSZXIJHASA-N 438.524 4.356 5 20 IIBD CC(C)(c1noc(CN2C(=O)COc3ccc([N+](=O)[O-])cc32)n1)c1cccc2ccccc12 590278865 YFQRBQOYSJEOFL-UHFFFAOYSA-N 444.447 4.383 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCN(c2ccc(O)cc2)CC1 602541201 ODCYEHSWUXHSJS-UHFFFAOYSA-N 435.505 4.414 5 20 IIBD O=C(Nc1ccccc1SC1CCCC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 603656870 APALVWPQGHZKOE-UHFFFAOYSA-N 427.530 4.379 5 20 IIBD Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NCc1ccccc1[N+](=O)[O-] 603927177 WDQIWQMQIIDDAM-UHFFFAOYSA-N 429.274 4.090 5 20 IIBD CCCOc1ccc(-c2csc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)n2)cc1 603941555 RPTLIVGTWWYBNA-UHFFFAOYSA-N 427.438 4.488 5 20 IIBD Cc1cc(C(=O)Cn2cc(Br)c([N+](=O)[O-])n2)c(C)n1CCc1cccs1 603948277 JGOYVQOIFDGODH-UHFFFAOYSA-N 437.319 4.159 5 20 IIBD CCOC(=O)c1cc(NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)ccc1Cl 604031837 HKDOABIKJZRGRT-UHFFFAOYSA-N 438.889 4.305 5 20 IIBD COc1cccc2c1OCC[C@@H]2NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 604570612 DFDSXFMHYBIXAW-ZDUSSCGKSA-N 442.415 4.354 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2cccc(Br)c2C)ccc1[N+](=O)[O-] 608871635 BENIQBLINYGWNI-SFHVURJKSA-N 446.301 4.217 5 20 IIBD Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCc2c(NC(=O)Nc3ccccc3F)cccc21 609506123 FZNAGEDQLUVMEE-UHFFFAOYSA-N 437.431 4.309 5 20 IIBD Cc1ccc(C[C@@H](NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c2ccccn2)cc1 609687886 XBESNLWHOYBHPY-XMMPIXPASA-N 445.523 4.114 5 20 IIBD CSC[C@H](C)N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 609901641 MLBISZVGDAZNBQ-YVEFUNNKSA-N 438.347 4.378 5 20 IIBD Cc1ccc(NC(=O)N2CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)CC2)cc1Cl 610060916 JCZSTQBBLCABJM-UHFFFAOYSA-N 444.919 4.211 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)Nc1ccc(CCC(=O)N2CCCC2)cc1 610094562 PYBNIBWIRZHFCE-UHFFFAOYSA-N 438.528 4.294 5 20 IIBD Cc1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc1NC(=O)Nc1ccccc1 610156599 RUZBVFJEOQPPMX-UHFFFAOYSA-N 433.468 4.389 5 20 IIBD COc1cccc([C@H](NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)c2ccccc2Cl)c1 610180743 AFLLLNUVVMJVHX-NRFANRHFSA-N 442.903 4.366 5 20 IIBD C[C@H](c1nc2ccccc2s1)N1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 611227114 LMZNESMXKTYGEI-GFCCVEGCSA-N 448.346 4.245 5 20 IIBD O=[N+]([O-])c1ccc2ncnc(N3CCCN(Cc4ccc(C(F)(F)F)cc4)CC3)c2c1 611700805 WWIYQLQKWHZYIQ-UHFFFAOYSA-N 431.418 4.269 5 20 IIBD C[C@H](C(=O)N[C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)c1ccc([N+](=O)[O-])cc1F 612488719 UZKFLSAQFVVFRK-FLEDJWKQSA-N 425.504 4.254 5 20 IIBD COc1ccc2c(c1)C(=O)N(C)[C@H](c1cc(OC)c(OCc3ccccc3)cc1[N+](=O)[O-])N2 726605222 LEIGLBTTWCYJLW-HSZRJFAPSA-N 449.463 4.387 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])c(F)c1)c1ccc(Cl)cc1Cl 728154713 OGJDIBPAVBATQG-VHSXEESVSA-N 429.231 4.463 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Oc2ccc(N(C)C(N)=O)cc2)cc1 728274265 PGLSYDQAEZGJMX-UHFFFAOYSA-N 437.408 4.130 5 20 IIBD CSc1ccc(C(=O)Oc2ccc(-c3noc([C@@H]4CCCO4)n3)cc2)cc1[N+](=O)[O-] 729115162 SRELDUVZHOATMN-INIZCTEOSA-N 427.438 4.437 5 20 IIBD Cc1oc(-c2cccs2)nc1C(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 729194582 VYSRJBUQBKVMAA-UHFFFAOYSA-N 428.470 4.088 5 20 IIBD O=C(OCc1ccc2ccccc2n1)c1ccc(I)c([N+](=O)[O-])c1 730473345 ZIWCTMJUHYGNTG-UHFFFAOYSA-N 434.189 4.105 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(C)Cc1ccccc1-c1ccccc1 731624529 AVBSEGHUBRXRFX-UHFFFAOYSA-N 434.448 4.120 5 20 IIBD Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)c12 731709919 LNCFPDQSEKPLTH-UHFFFAOYSA-N 436.468 4.320 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCC[C@H](c2cc3ccccc3[nH]2)C1 731974395 LZZXURFEWXNXRQ-AWEZNQCLSA-N 435.452 4.456 5 20 IIBD O=C(NCCc1ccccc1)c1ccccc1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 733041884 DQMXCKXNHFORTB-UHFFFAOYSA-N 428.448 4.301 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2cccc(CSc3ccccn3)c2)ccc1[N+](=O)[O-] 733389112 LTQHXYVTJUXEOO-UHFFFAOYSA-N 437.477 4.386 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1COC(=O)Cn1c2ccccc2c(=O)c2ccccc21 733431967 HMDCSRDUUCCEDM-KRWDZBQOSA-N 436.508 4.097 5 20 IIBD O=C(/C=C/c1ccc(I)o1)OCc1ccc(Cl)cc1[N+](=O)[O-] 734882128 DIFFZOCTYINWRW-GQCTYLIASA-N 433.585 4.202 5 20 IIBD C[C@H](OC(=O)c1ccc(N2CC=CC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 741748688 NLSSMHKBZLNTEL-ZDUSSCGKSA-N 449.385 4.174 5 20 IIBD CC[C@H](Cc1ccccc1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1I 741966464 QQYSXTWYRJFZKZ-CQSZACIVSA-N 438.265 4.293 5 20 IIBD CC[C@H](c1ccc(F)cc1F)N1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 742418812 ZJYPRUBEMQYGSV-LJQANCHMSA-N 430.455 4.031 5 20 IIBD O=C(O[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1cc(Cl)cc([N+](=O)[O-])c1 745066026 UCJZXIXCKNBFSK-MRXNPFEDSA-N 440.786 4.202 5 20 IIBD CC(C)CC(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1F 745288951 IECSRKJUKFHTCQ-LBPRGKRZSA-N 449.410 4.042 5 20 IIBD C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)CC(C)(C)CNC(=O)OC(C)(C)C 747843087 LJVSBFONQZSRRQ-ZDUSSCGKSA-N 442.944 4.058 5 20 IIBD CC[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)c1ccc(NC(C)=O)cc1 748892667 JBWXCUPZAIOFDA-KRWDZBQOSA-N 449.257 4.134 5 20 IIBD C[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)Oc1ccc(F)cc1 749435191 GOIGNXNMGDVXTN-SECBINFHSA-N 431.645 4.347 5 20 IIBD COC(=O)C[C@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccc(Br)cc1 750181641 SIRPLPUNQBCPBI-AWEZNQCLSA-N 441.665 4.045 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 750984630 VSWWVQSKCZFGNY-UHFFFAOYSA-N 448.520 4.247 5 20 IIBD COCCN(Cc1ccc(F)cc1Cl)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 756964931 IGFPQIPZIBJEQP-UHFFFAOYSA-N 430.263 4.399 5 20 IIBD CN1CCC[C@@H](COC(=O)c2cc([N+](=O)[O-])cn2C)[C@@H]1c1ccc(C(F)(F)F)cc1 757892004 CGLAFWZOYOKGPH-KSSFIOAISA-N 425.407 4.192 5 20 IIBD CCN(Cc1cccc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])c1)C(=O)OC(C)(C)C 759487257 PIOAPVZGHAHJKX-UHFFFAOYSA-N 449.529 4.294 5 20 IIBD CC(C)n1ncc2c(C(=O)O[C@@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)cc(C3CC3)nc21 759935551 SEDFHBVSYDNCRI-RBUKOAKNSA-N 438.488 4.335 5 20 IIBD COc1ccc([C@@H](C)OC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1Cl 764616584 GOHRXUCJPQJJTE-AUUYWEPGSA-N 446.887 4.474 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 765094120 CFKDMYXZESVDBC-UHFFFAOYSA-N 445.397 4.286 5 20 IIBD O=C(NCc1nc(CNc2cc(Br)ccc2[N+](=O)[O-])cs1)c1ccccc1 765519002 GVFZVWDSURXNTQ-UHFFFAOYSA-N 447.314 4.356 5 20 IIBD C[C@H](OC(=O)CCc1cc2ccccc2nc1O)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 767786484 IJQMQTUSZRCDCE-ZDUSSCGKSA-N 434.408 4.136 5 20 IIBD Cc1nn(Cc2ccc(C(=O)OCc3ccc(C(F)(F)F)cn3)cc2)c(C)c1[N+](=O)[O-] 768523804 ACPGELFESGUOCY-UHFFFAOYSA-N 434.374 4.227 5 20 IIBD Cc1ccc(Cc2nc(C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)cs2)cc1 768649897 FMHSGQZPGRRERE-AWEZNQCLSA-N 425.466 4.135 5 20 IIBD COc1cc(N[C@H]2CCCN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)C2)cc(OC)c1 769145941 YURROGURYOBQEL-HNNXBMFYSA-N 448.907 4.052 5 20 IIBD COc1cccc(C(=O)OCc2ccnc(-c3ccc(Br)cc3)n2)c1[N+](=O)[O-] 769599775 HKSIAJSQGRELTL-UHFFFAOYSA-N 444.241 4.180 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N(CCO)Cc1cc(Br)ccc1F 770010066 WPZJXSLUPMFGAW-UHFFFAOYSA-N 446.660 4.176 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1nnc(-c2ccc(Cl)cc2)n1C 770322417 FOORHLYMKRVLLE-GFCCVEGCSA-N 432.889 4.268 5 20 IIBD O=C(CCCc1ccc2nc(O)[nH]c2c1)OCc1ccc(Br)c([N+](=O)[O-])c1 773428956 LOSKUVTYEVMALO-UHFFFAOYSA-N 434.246 4.005 5 20 IIBD C[C@H]1C[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCN1C(=O)OC(C)(C)C 773810234 VGRFQSLRFHHLMZ-DOTOQJQBSA-N 435.524 4.199 5 20 IIBD COCCN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1cccc(Br)n1 776358670 QJOVNZACLWUNNU-UHFFFAOYSA-N 436.306 4.343 5 20 IIBD CSc1cccc(C(=O)N(C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1[N+](=O)[O-] 777159165 MZQXJTUUGRTEAV-OAHLLOKOSA-N 425.551 4.328 5 20 IIBD O=C(NCCOc1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1Br 782168018 WUKRUTOWBSFLLR-UHFFFAOYSA-N 433.180 4.185 5 20 IIBD O=C(NC[C@H]1CCCN(Cc2cccs2)C1)c1cccc([N+](=O)[O-])c1Br 782168669 BTUGLZGFNNJZIQ-CYBMUJFWSA-N 438.347 4.061 5 20 IIBD Cc1c(NC(=O)C(=O)Nc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)cccc1[N+](=O)[O-] 785012310 CNZVFSDBPUNVQD-AWEZNQCLSA-N 442.472 4.066 5 20 IIBD CCN(CC1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2C)CC1)C(=O)OC(C)(C)C 790559935 NMGPSLJCXFQZQF-UHFFFAOYSA-N 434.537 4.082 5 20 IIBD CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)cn1 791139181 YVFVMEGRAVNANS-HSZRJFAPSA-N 436.512 4.311 5 20 IIBD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)ccc1[N+](=O)[O-] 792247642 QHLLTUHGQCOBHJ-LLVKDONJSA-N 447.419 4.489 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)OC[C@H]2CCC[C@H](O)C2)cc1[N+](=O)[O-] 795233694 GJFDWWQWVOMHDE-HOCLYGCPSA-N 429.494 4.256 5 20 IIBD Cc1cccc(CC2(O)CCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)CC2)c1 797637984 SKDKYBWACOQJJH-UHFFFAOYSA-N 448.317 4.267 5 20 IIBD O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)[C@@H](F)c1ccc(C(F)(F)F)cc1 802063743 PESPCEZFGVWJQS-SFHVURJKSA-N 441.381 4.479 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)O[C@@H](C)C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1F 803462880 UXLDUZZYBAEOTH-ZDUSSCGKSA-N 430.432 4.455 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 810315859 IQHNNQSQCUKOHS-UHFFFAOYSA-N 444.360 4.207 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2NCc1cc([N+](=O)[O-])ccc1OC(F)F 813786768 PPKHIAZVMISYMN-MRXNPFEDSA-N 427.448 4.075 5 20 IIBD COc1cc(/C=C\C(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)cc(OC)c1O 815216197 WSXVEYGWQUXBBQ-UTCJRWHESA-N 427.331 4.093 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nc(C3CCCCCC3)no2)cc1 904687618 UPWMRVOTZFDWGK-GOSISDBHSA-N 434.518 4.332 5 20 IIBD Cc1cc(C)c(N2C[C@H](C(=O)Nc3cc(C)nn3-c3ccc([N+](=O)[O-])cc3)CC2=O)c(C)c1 914721793 LHDGJJOLNDMFSN-GOSISDBHSA-N 447.495 4.006 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc(-c3ccccc3Cl)[nH]n2)cccc1[N+](=O)[O-] 914997603 JFJGOJWTQFJXLI-GFCCVEGCSA-N 428.832 4.131 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N[C@H]2CCCC[C@@H]2C)cc1 915250432 SMURHBCYPVTNKW-YWZLYKJASA-N 442.468 4.247 5 20 IIBD C[C@@H](Oc1ccc(C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cn1)c1ccccc1 919213569 BHWZIKDHWICLOB-CQSZACIVSA-N 439.399 4.064 5 20 IIBD C[C@H](NC(=O)COC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccc(Cl)cc1Cl 919526638 POHZWJHGKVHPLK-JTQLQIEISA-N 436.251 4.417 5 20 IIBD CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-] 920330842 PRLXYDFNXKCVQE-JOCHJYFZSA-N 443.459 4.396 5 20 IIBD C[C@H](Nc1ccc(C(=O)OCC(=O)N[C@@H]2CCCC[C@@H]2C)cc1[N+](=O)[O-])c1ccccn1 920546987 MRXYFHBFIXVZLP-XYJFISCASA-N 440.500 4.015 5 20 IIBD CC1CCN(c2ccc(C(=O)NCCc3ccc(C(F)(F)F)cn3)cc2[N+](=O)[O-])CC1 1124080005 YGFNEYNLXGPLCQ-UHFFFAOYSA-N 436.434 4.217 5 20 IIBD O=C(COC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(Br)s1 1252644863 NHLBDLYXWWYJJG-UHFFFAOYSA-N 449.076 4.221 5 20 IIBD O=C(c1cc2ccc(C(F)(F)F)cc2[nH]1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1254033061 HQZSKUKWZYZCIF-UHFFFAOYSA-N 432.402 4.053 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(-c3cc(F)c(F)cc3I)o2)c1 1261568737 HFJMSMLBUGTRCH-UHFFFAOYSA-N 429.120 4.195 5 20 IIBD CC(C)c1oc(-c2ccccc2)nc1C(=O)O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 1318432224 OUQKAKDHSRUCLB-GOSISDBHSA-N 435.436 4.336 5 20 IIBD O=[N+]([O-])c1cc(Cl)c2ncnc(Sc3nnc(-c4ccncc4)n3C3CC3)c2c1 1324251693 QRCMWJFTADKCRO-UHFFFAOYSA-N 425.861 4.331 5 20 IIBD C[C@H](CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CCN(C(=O)OC(C)(C)C)CC1 1333419896 CTPAGSYXXTZXAA-MRXNPFEDSA-N 431.533 4.153 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCC4)cc2)CCC1)C1=CCCC1 1790046399 DQPNCYLEZMFQFJ-UHFFFAOYSA-N 447.491 4.388 5 20 IIBD O=C(CC1CC1)N1CCCC2(CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC2)C1 1809397463 NEYFFCSRIFXWSZ-UHFFFAOYSA-N 441.553 4.454 5 20 IIBD Cc1occc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])n[nH]1 1823501361 RBFWIFXKJKSSPE-SQUSKLHYSA-N 449.467 4.239 5 20 IIBD Cc1ccc(F)c(C(=O)N2CCCC23CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)C3)c1 1845359000 FDTRWWJRQVBUIG-UHFFFAOYSA-N 445.878 4.135 5 20 IIBD CC(=O)Nc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3N(C)C)n2)c(F)c1 10993563 VSZGDHQZEDXXGT-UHFFFAOYSA-N 443.460 4.134 5 20 IIBD CC1CCN(c2nnc(S[C@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)n2C2CC2)CC1 11985591 OLENWWRQRMLJTM-CYBMUJFWSA-N 448.524 4.016 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(OCc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 16628689 XYQWGSJBAKEYKP-UHFFFAOYSA-N 432.420 4.223 5 20 IIBD COc1cccc(NC(=S)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)c1 18142951 IJEMNZCHOZUNNL-UHFFFAOYSA-N 427.486 4.261 5 20 IIBD COc1ccccc1Nc1nnc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)s1 21681209 MZKWXKXBWQRYHK-LLVKDONJSA-N 431.499 4.318 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Sc2nnc3cc(C)c4ccccc4n23)c([N+](=O)[O-])c1 22033103 SZYNCCXHJRWFFI-CYBMUJFWSA-N 437.481 4.227 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)N(C)Cc1nc2ccccc2s1 22496587 KPAUXSRLTWRTCQ-NSHDSACASA-N 433.873 4.062 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(Cc3cn(-c4ccccc4)nc3-c3ccccc3)CC2)cn1 26488821 BIKBICMMBLUBHE-UHFFFAOYSA-N 440.507 4.165 5 20 IIBD CCCCN1C(=O)CC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1OC 29485380 ISDXIJLSSQYIPT-DENIHFKCSA-N 425.485 4.322 5 20 IIBD COCCn1c(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nc2cc(Cl)ccc21 32881405 KSYUQSXHHFRQRP-GFCCVEGCSA-N 434.905 4.364 5 20 IIBD CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 58955210 PIKYJWKCHOHEGI-UHFFFAOYSA-N 440.525 4.133 5 20 IIBD O=C(NCC1(c2cccc(C(F)(F)F)c2)CCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 63226771 RYNDCMPRGRSELH-UHFFFAOYSA-N 435.402 4.180 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCC(CCN3CCOCC3)CC2)cc1[N+](=O)[O-] 110148063 IWOYHEQCIONTSH-UHFFFAOYSA-N 449.617 4.308 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 115064806 DQFLTQZPGFAETH-INIZCTEOSA-N 449.492 4.216 5 20 IIBD COc1ccc([C@@H](C)NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1Br 216015383 BVEYEJQQTYFTFZ-SNVBAGLBSA-N 442.697 4.309 5 20 IIBD CC(C)[C@@H](CNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)N1CCN(C)CC1 236704171 HJCKBTPDXKGIEK-OAQYLSRUSA-N 446.979 4.402 5 20 IIBD CCN1CCN(C[C@@H](C)CNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 236948935 OLWCYBJCQWJICD-SFHVURJKSA-N 446.979 4.404 5 20 IIBD Cc1cc(N2CCC(C(=O)Nc3ccc(F)cc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 301155874 RIYGPVZSRCRGAS-UHFFFAOYSA-N 435.459 4.354 5 20 IIBD COc1cc(C)c([C@H](C)Nc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)cc1OC 301207461 ZZLXXBLNVWNXRH-ZDUSSCGKSA-N 444.875 4.293 5 20 IIBD CN(C)C1CCN(c2ccc(Nc3ncc([N+](=O)[O-])cc3Br)cc2F)CC1 301544171 OTCGJMFYPPBHAV-UHFFFAOYSA-N 438.301 4.165 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(c2nc3ccccc3s2)CC1 302838868 SRGXZTUZTBREHT-CQSZACIVSA-N 436.497 4.138 5 20 IIBD Cn1cc(C(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)c(C(C)(C)C)n1 426261463 RDQBLGLULGXPLC-UHFFFAOYSA-N 434.456 4.324 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(I)cc(C)c1C 428815139 IBQWQDRXUQAFDQ-UHFFFAOYSA-N 426.210 4.077 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N(CCc1ccccn1)Cc1cccnc1 431313606 PUJJWWUESRWBDO-UHFFFAOYSA-N 447.314 4.094 5 20 IIBD CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1nc2cc([N+](=O)[O-])ccc2o1 434654740 QMUAKUBMVZMPSD-UHFFFAOYSA-N 442.781 4.479 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCCc1cc(Cl)ccc1Br 435171294 ORAZYQMOJUGNKV-UHFFFAOYSA-N 426.698 4.395 5 20 IIBD O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 435934173 GSKRWGKUROEKOY-UHFFFAOYSA-N 439.515 4.237 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)c1 437816071 QLLTWFAFJRUNAF-YCRPNKLZSA-N 430.526 4.372 5 20 IIBD C[S@](=O)C1(CNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CCC1 438136475 NGFUQKNPUWAJFI-NDEPHWFRSA-N 438.958 4.430 5 20 IIBD COc1ccc2c(-c3ccccc3)cc(SC[C@H](O)Cn3cc([N+](=O)[O-])cn3)nc2c1 438785845 WTFKXDBUDRGHMW-QGZVFWFLSA-N 436.493 4.168 5 20 IIBD COCCCOc1ccccc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 438796666 RKOWJXXONKKLGJ-UHFFFAOYSA-N 435.285 4.118 5 20 IIBD O=C(C(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1)c1cnn(-c2ccccc2)c1 440618647 VYQGNHISECXWIM-UHFFFAOYSA-N 426.432 4.197 5 20 IIBD CC[C@@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCN1Cc1ccccc1 444321863 URZXIDWNUTWOOY-OAQYLSRUSA-N 425.532 4.418 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CC[C@]2(C1)OCc1ccccc12 444324750 DOFJLOYZYKIGKU-RUZDIDTESA-N 432.426 4.231 5 20 IIBD CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 446031448 MGZPMBCLQGSJJW-BBATYDOGSA-N 441.709 4.446 5 20 IIBD Cc1cccc(C(=O)Nc2cc(-c3cc(Br)ccc3Cl)[nH]n2)c1[N+](=O)[O-] 446368071 CCQWMAZQHOJUSJ-UHFFFAOYSA-N 435.665 4.962 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N1CCC[C@@H](COc2ccccc2Cl)C1 446904821 CKBMSDIAPAEOTK-CQSZACIVSA-N 443.891 4.125 5 20 IIBD C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1cccc(OC(F)F)c1 447038508 NXPXIBZOILQMGE-VIFPVBQESA-N 440.346 4.255 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H](c2ccc(F)cc2)C(C)C)cc1OC 448512149 XSPRVFMKDRZNHA-NRFANRHFSA-N 434.464 4.237 5 20 IIBD C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C1 461302207 ORRWQVSYHYKUEF-DYVFJYSZSA-N 441.488 4.237 5 20 IIBD Cc1cc(NCc2cccnc2Oc2cccc(S(C)(=O)=O)c2)c(F)cc1[N+](=O)[O-] 461974999 RLMNSBFPPVYNGS-UHFFFAOYSA-N 431.445 4.245 5 20 IIBD CCOC(=O)c1sc(N(C(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)C2CC2)nc1C 462503366 PSGMSCYCXUSKFC-OAHLLOKOSA-N 431.514 4.301 5 20 IIBD C[C@@H](NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)c1ccc(Cl)c2ccccc12 462718748 OFMIJFQGWFMOIU-CYBMUJFWSA-N 439.855 4.004 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCC(C)(C)C[C@@H](C)O)c([N+](=O)[O-])c2)c(C)c1 462870303 JNTXYSLAYXCXNG-MRXNPFEDSA-N 435.546 4.221 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](COc1ccccc1)c1ccccc1 464053681 SNYBHGBVTITOQL-FQEVSTJZSA-N 433.464 4.087 5 20 IIBD Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cc1 464674401 ZXORITVBXAWFNK-LJQANCHMSA-N 435.480 4.021 5 20 IIBD O=C(NCCOc1cccc2ccccc12)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465692543 WAQZMQQWIVIGHS-UHFFFAOYSA-N 435.480 4.380 5 20 IIBD COc1ccc([C@@H](C)CCNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 466051515 CVXPATQPJOJZDE-KRWDZBQOSA-N 427.501 4.350 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ccnc(Oc2ccccc2Cl)c1 467095919 NLVBDGZLHCVOKP-UHFFFAOYSA-N 441.827 4.388 5 20 IIBD O=C([C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1C[C@@H](c2ccccc2)c2ccccc21 470204103 HLLXCIYPUOPAIO-AZUAARDMSA-N 447.516 4.440 5 20 IIBD Cc1ccc([C@@H]2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)C2)c(C)c1 471337864 SKQBSPKPOWGVDU-NFBKMPQASA-N 435.524 4.141 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@H](c1cccc(F)c1)c1cccc(Cl)c1 472613307 ZYOLIWKXHRERDN-IBGZPJMESA-N 445.809 4.371 5 20 IIBD O=C(CNc1ccccc1-c1cc(F)c(F)c(F)c1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 475155660 NZCINLONMLNXGM-UHFFFAOYSA-N 445.353 4.458 5 20 IIBD O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N1CCC[C@H]1c1cccc3ccccc13)OCCO2 477175173 JFCDCZNFYYKTGN-SFHVURJKSA-N 440.477 4.045 5 20 IIBD C[C@@H](c1ccc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCOCC1 477509567 KVPCQBHLEYTVJQ-HNNXBMFYSA-N 432.908 4.006 5 20 IIBD COc1cc(CN(C(=O)CSc2ccccc2[N+](=O)[O-])C2CC2)ccc1OC(F)F 479555001 HJUNKZKPMFPJIG-UHFFFAOYSA-N 438.452 4.488 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(CN(C)Cc3cscn3)c2)c1C 479999417 YYCDYRJAOMZZKI-UHFFFAOYSA-N 446.554 4.101 5 20 IIBD CC(=O)N[C@H](C)C1CCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 480758596 SMDAFDFDYIJEMX-OAHLLOKOSA-N 426.473 4.156 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc(Cl)c1F 482682579 VVDCBQJTMNTAPO-UHFFFAOYSA-N 431.601 4.189 5 20 IIBD Cc1cc(C)c(NC(=O)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1Br 486234242 YKYRLFPSTKIKTB-ZDUSSCGKSA-N 434.290 4.098 5 20 IIBD C[C@@H](Sc1nnc(COc2ccccc2)n1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 488878056 JIRLJADIYSIBKI-CYBMUJFWSA-N 438.469 4.206 5 20 IIBD O=C(Nc1nc(CC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cs1)c1cccs1 490427474 AOASDUOKMMLASW-UHFFFAOYSA-N 442.522 4.099 5 20 IIBD NC(=O)c1ccc(SCC(=O)N[C@@H]2CCc3ccc(-c4ccccc4)cc32)c([N+](=O)[O-])c1 490459777 VRUJYDYZMPZRGQ-HXUWFJFHSA-N 447.516 4.257 5 20 IIBD CCc1cnccc1CNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 490964555 UMSFULZQRNBLIV-UHFFFAOYSA-N 441.491 4.264 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1 497422828 UJXCQFIYFYATEZ-UHFFFAOYSA-N 429.452 4.096 5 20 IIBD Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C2)cc1 499496302 LBIKCCHBTKWFIE-OAHLLOKOSA-N 435.402 4.413 5 20 IIBD NC(=O)c1ccc(SCC(=O)N2CCCC[C@H]2CCCc2ccccc2)c([N+](=O)[O-])c1 502413318 GQRUEHQZUYVMMF-IBGZPJMESA-N 441.553 4.190 5 20 IIBD C[C@H](NC(=O)[C@@](N)(c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccccc1[N+](=O)[O-] 503964930 QVKMSESNYVXCSB-QFYYESIMSA-N 435.324 4.207 5 20 IIBD O=C(CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)Nc1cccc2cccnc12 505674185 QAYZQORLVKZSMV-UHFFFAOYSA-N 442.431 4.304 5 20 IIBD O=C(CCN1CCCCC1)Nc1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1 505807640 SGPGBGDDPLHEGN-UHFFFAOYSA-N 435.484 4.143 5 20 IIBD CC(C)N(C)C(=O)c1ccc(Cl)c(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 509574848 UCBDSNJMFIWRSF-UHFFFAOYSA-N 446.312 4.183 5 20 IIBD COc1cc(C(=O)NC[C@@H](C)c2ccccc2)c([N+](=O)[O-])cc1OCc1cscn1 509893717 LSWQHQHMRFGFPQ-CQSZACIVSA-N 427.482 4.172 5 20 IIBD COc1cc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)ccc1[N+](=O)[O-] 511121575 DSNKNKAJTNCUEX-UHFFFAOYSA-N 428.448 4.386 5 20 IIBD CCOc1cc(NC(=O)N[C@@H](C)[C@H]2CCCN(C3CCC3)C2)c([N+](=O)[O-])cc1OCC 511226908 FVWUMLKTRQXSLO-HOTGVXAUSA-N 434.537 4.167 5 20 IIBD C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 513767570 KJHSNLHIDHYUNF-SNVBAGLBSA-N 443.308 4.065 5 20 IIBD COc1ccc(Cl)cc1C1(CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CCOCC1 514822730 XLABNTSNAZOHCN-OAHLLOKOSA-N 432.904 4.225 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)Nc1ccc(OC(F)F)cc1)c1ccccc1[N+](=O)[O-] 515223826 LZKKVQQFCOKPPO-INIZCTEOSA-N 437.399 4.401 5 20 IIBD Cc1ccccc1C[C@H](C)NC(=O)CSc1nc2cc3ccccc3cc2c(=O)n1C 515423571 TURQHUVZGZZCQY-KRWDZBQOSA-N 431.561 4.235 5 20 IIBD CCCS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 515622553 XDJRQOQQOSIOLK-UHFFFAOYSA-N 445.522 4.463 5 20 IIBD COc1cc(CCNC(=O)C2(c3ccc(F)cc3)CCCCC2)c([N+](=O)[O-])cc1OC 516758405 XZCQFOMZUGEPGN-UHFFFAOYSA-N 430.476 4.312 5 20 IIBD COc1cc(OCC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)ccc1[N+](=O)[O-] 519979808 DLYACSLNWNDJSW-UHFFFAOYSA-N 449.179 4.402 5 20 IIBD COc1ccc(CNC(=O)N(Cc2cccc(Br)c2)C2CC2)cc1[N+](=O)[O-] 520086972 YGQDIWWELUAJBC-UHFFFAOYSA-N 434.290 4.240 5 20 IIBD CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] 520105396 IKVKUQIQGGWALE-UHFFFAOYSA-N 429.826 4.471 5 20 IIBD C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)C(=O)N(C)Cc3ccccc3[N+](=O)[O-])c2)C1 521118923 FCHPMGHVWWPMPD-DYESRHJHSA-N 439.512 4.287 5 20 IIBD CCOc1ccc([C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c2ccccc2)cc1 521156063 RZOOQTVGNLKYFP-FQEVSTJZSA-N 430.457 4.201 5 20 IIBD O=C(c1ccc(-c2nc3ccccc3s2)o1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 522856702 MLEKGLDONLLBGM-ZDUSSCGKSA-N 435.465 4.186 5 20 IIBD CCNc1ccc(C(=O)Nc2ccc(NC(=O)CCN3CCCCC3)cc2)cc1[N+](=O)[O-] 523044163 SCPCAOHPAMKTAU-UHFFFAOYSA-N 439.516 4.093 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)Nc3cccc(F)c3)cc2)cc1[N+](=O)[O-] 523321324 OOYLAHMHFNVBJJ-UHFFFAOYSA-N 444.444 4.487 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ccccc1COc1ccccc1 524210591 LAIWWOWLHFREIQ-UHFFFAOYSA-N 439.855 4.196 5 20 IIBD Cc1ccc(NCCCNC(=O)Nc2cc(NC(=O)C(C)C)ccc2C)c([N+](=O)[O-])c1 524610262 WTDHTXPKKCJMJC-UHFFFAOYSA-N 427.505 4.430 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn23)C1 530777141 PLSQGOLNRIUSSA-LBPRGKRZSA-N 434.378 4.068 5 20 IIBD CCS[C@H](C)c1noc(CN(C)c2ccc(I)cc2[N+](=O)[O-])n1 531964585 MHMDYVSTZZBUPV-SECBINFHSA-N 448.286 4.033 5 20 IIBD O=C1[C@@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCCN1CC(F)(F)F 533308071 BSYNUSBESNYODT-INIZCTEOSA-N 441.381 4.169 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC(c4nc(-c5ccccn5)no4)CC3)o2)c1 533401566 SJNMDDDWCLGBNA-UHFFFAOYSA-N 446.467 4.117 5 20 IIBD C[C@@H]1CO[C@H](c2ccccc2Cl)CN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 533440284 XTLVWNYNKGNRBT-VLIAUNLRSA-N 431.876 4.008 5 20 IIBD CC[C@@H](NC(=O)c1cc(SC)ccc1[N+](=O)[O-])[C@@H](c1ccc(C)cc1)n1cncn1 535206847 UNSVWMWADZTPRT-UYAOXDASSA-N 425.514 4.015 5 20 IIBD CN1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 535672563 VCHIOIWZDRLMJX-SGTLLEGYSA-N 426.275 4.464 5 20 IIBD Cc1cccc(OCCNC(=O)[C@@H](C)SCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1 536302921 UHCKTKCQMFHKCY-MRXNPFEDSA-N 441.509 4.375 5 20 IIBD Cc1cc(NC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)ccc1[N+](=O)[O-] 537451542 ZRBLGDQONQHSEI-UHFFFAOYSA-N 425.514 4.380 5 20 IIBD CCOc1ccc([C@H](C)N[C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)cc1[N+](=O)[O-] 539041052 JWEMVUJMRUTSFK-RXYZOABWSA-N 433.936 4.369 5 20 IIBD Cc1ccc([C@H](C)N[C@@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1[N+](=O)[O-] 539122812 XWFHDKPQKYRRFZ-ROUUACIJSA-N 431.558 4.490 5 20 IIBD Cn1cc(C[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)C2)cn1 541582979 OYBHVUOPQZRLLG-KRWDZBQOSA-N 428.558 4.315 5 20 IIBD Cc1cnc([C@H](C)CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)s1 542570911 URUGVCQPAFDFMI-UKRRQHHQSA-N 425.514 4.461 5 20 IIBD Cc1cc(C(F)(F)F)nc(N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 542884551 YVVWZTQEIURGLF-UHFFFAOYSA-N 435.328 4.057 5 20 IIBD C[C@@H](C(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1)c1ccc([N+](=O)[O-])cc1F 543533353 JTSZZYNYSLMVJU-UKRRQHHQSA-N 442.422 4.433 5 20 IIBD CCCc1c(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cnn1-c1cccc(F)c1 544226508 IRESOOYOCVKBEN-UHFFFAOYSA-N 445.838 4.103 5 20 IIBD NS(=O)(=O)c1cccc(N[C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] 545345358 UMJXGAPUKDKMRX-KBPBESRZSA-N 429.420 4.009 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cc3nc(C(C)C)no3)cc2)cc1OC 549273796 RHCMPUHDJUFUHA-UHFFFAOYSA-N 440.456 4.352 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)N[C@@H]1CCCc2sc(Cl)cc21 551255205 SHDCPFSDZVDXBG-SNVBAGLBSA-N 445.831 4.043 5 20 IIBD CC(C)[C@H](CNC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 557148708 RURYMJAXNXSHMU-KRWDZBQOSA-N 443.887 4.071 5 20 IIBD CSc1cccc(-c2nc(Cc3ccc(OCC(F)(F)F)nc3)no2)c1[N+](=O)[O-] 561926965 NCMTXXKNGIZDES-UHFFFAOYSA-N 426.376 4.294 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1(c2ccc(C(F)(F)F)cc2)CCCC1 563845332 CJJLUPMAVVNJPG-UHFFFAOYSA-N 435.402 4.446 5 20 IIBD C[C@H](c1nc(Cc2nc(O)c3c(C4CC4)csc3n2)no1)c1ccc([N+](=O)[O-])cc1F 565747235 CFTMSZYTCWWHQF-VIFPVBQESA-N 441.444 4.447 5 20 IIBD O=C(NC[C@H](CO)Cc1cccnc1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 565885800 BAZHUMTXSIMZDQ-MRXNPFEDSA-N 441.871 4.017 5 20 IIBD CCCCN(C(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1)[C@@H]1CCC[C@@H](C)C1 569161928 MZUZHPPJLQKJKI-WIYYLYMNSA-N 444.576 4.084 5 20 IIBD Cc1nc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])sc1Cc1ccccc1F 570538028 KGZUVFGWJDBGGP-UHFFFAOYSA-N 435.502 4.074 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCc2nccn2-c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 572054751 AHIQQDZJRWBKOF-QGZVFWFLSA-N 442.479 4.279 5 20 IIBD COc1ccc([C@H](C)NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)c1OC 572396299 LQVOEMMYZPYLGJ-KRWDZBQOSA-N 430.504 4.358 5 20 IIBD Cc1nc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)ccc1-c1ccccc1 573144533 LISHTFCHXNXZRS-UHFFFAOYSA-N 430.464 4.095 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CNCCc2cccc3cccnc23)c1 574679416 MYCOGJPCULSMHG-UHFFFAOYSA-N 433.249 4.080 5 20 IIBD C[C@@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)[C@@H]1OCCc2sccc21 581088779 FFDLGCUGKXKYII-XFNZEKPQSA-N 440.471 4.453 5 20 IIBD O=C(c1conc1C1CC1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 589319135 USPJWQYWSGBHIT-UHFFFAOYSA-N 438.509 4.147 5 20 IIBD COC(=O)c1ccc2c(c1)CCN2C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 591815438 ZNOFOWVBWIYQHQ-UHFFFAOYSA-N 431.448 4.196 5 20 IIBD CN1C(=O)c2cc(Cl)ccc2N[C@H]1c1cc(I)cc([N+](=O)[O-])c1 602761786 UTWOMHFHPNZOKX-CQSZACIVSA-N 443.628 4.049 5 20 IIBD CC[C@@H]1CN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)CCO1 603553759 QTQOVCYLODNEQD-VQIMIIECSA-N 448.317 4.148 5 20 IIBD CCOc1cc(NC(=O)N(CC)C[C@H]2COc3ccccc3O2)c([N+](=O)[O-])cc1OCC 603651228 BKXAAOCSUZPFND-HNNXBMFYSA-N 445.472 4.086 5 20 IIBD CCOc1cc(/C=C2/CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)cc(Cl)c1OC 603781352 MGMHHGYKSJJAQG-JYRVWZFOSA-N 427.844 4.310 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1COCc1ccccc1 603978482 MDYAMDSEOKOPBF-UHFFFAOYSA-N 428.466 4.121 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1cccc(OCc2cscn2)c1 608909175 YQILWJIKTCVXDG-UHFFFAOYSA-N 425.875 4.085 5 20 IIBD O=C(Nc1cnn(Cc2ccccn2)c1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 608944460 KQHBSDJITLTKKM-UHFFFAOYSA-N 428.452 4.099 5 20 IIBD CN(Cc1nccn1CC(F)(F)F)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 609026614 QYNNIXVKVNQFSJ-UHFFFAOYSA-N 434.374 4.418 5 20 IIBD Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1n[nH]c(C)c1[N+](=O)[O-] 609167830 YLALCQRNSDIJIB-UHFFFAOYSA-N 447.373 4.458 5 20 IIBD CC(=O)N1CCCCC[C@@H]1C1CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 609464733 UDJXFQATEZYPSU-IIBYNOLFSA-N 441.532 4.209 5 20 IIBD CC(C)c1ccccc1OCCNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl 609513543 NUINOHUVHWMFSP-UHFFFAOYSA-N 428.876 4.408 5 20 IIBD CCN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@H](c1cccnc1)c1ccc(F)cc1F 609580155 VCQQCRIKAIYJCB-OAQYLSRUSA-N 441.390 4.248 5 20 IIBD CCOC(=O)c1cc(S(=O)(=O)N(C)[C@H](C)c2cccc(Cl)c2)cc([N+](=O)[O-])c1C 609707137 LOWYVYDTTSNIFX-CYBMUJFWSA-N 440.905 4.115 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCCc2ccc(Br)cc2)cc1SC 609755258 FGMYISQSRZRMEC-UHFFFAOYSA-N 425.304 4.060 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(OCC3CCOCC3)cc2)cc1[N+](=O)[O-] 609908605 IRVNVYHUEOFFGT-UHFFFAOYSA-N 446.525 4.281 5 20 IIBD C[C@@H]1CN(C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc2NC1=O 610109308 SQAJCHFEPVEOQA-LLVKDONJSA-N 439.415 4.327 5 20 IIBD CC(C)OCCN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC1 611211083 BEAXCBCBEIVDRL-UHFFFAOYSA-N 435.590 4.249 5 20 IIBD CC(=O)N1CCCCC[C@@H]1C1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 611271495 GTZAXHIQLCFRII-LJQANCHMSA-N 425.476 4.199 5 20 IIBD COC(=O)[C@H]1CCCCCN1C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 611581234 OHJRYLNLYFVPKW-CQSZACIVSA-N 435.527 4.069 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccccc1OCC(F)(F)F 615164451 QEDRGQJCXWPUMH-UHFFFAOYSA-N 440.421 4.412 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1 619477136 INKRRBUXNDAOOM-KRWDZBQOSA-N 438.914 4.386 5 20 IIBD C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 727203834 PUUGWWAXEBEQAF-SNVBAGLBSA-N 446.765 4.216 5 20 IIBD CC(=O)N(c1ccc(C)cc1)c1nc(COC(=O)c2cc(C)cc([N+](=O)[O-])c2N)cs1 727897994 AMCHPPVSMWKXMD-UHFFFAOYSA-N 440.481 4.292 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2cnc(N)c(Cl)c2)c2ccccc2)c([N+](=O)[O-])c1 728630790 UITYKSFITYLYTG-GOSISDBHSA-N 440.843 4.071 5 20 IIBD CC(C)(C)OC(=O)NCc1cccc(OS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 730270614 GNQAGQQVZSIQRM-UHFFFAOYSA-N 442.877 4.041 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 734782583 VRJMRWYDUVUKCW-AWEZNQCLSA-N 437.279 4.497 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@@H]3CCCc4nc(C)ncc43)cc2[N+](=O)[O-])n1 734798576 RSMKSHOMCNEXEV-MRXNPFEDSA-N 441.538 4.417 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1 735803034 SOEWWDXNIZYLBX-FPLPWBNLSA-N 427.888 4.447 5 20 IIBD C[C@@H](OC(=O)c1ccc(SCCCO)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 735946753 AKDIAFLXFLPISV-CYBMUJFWSA-N 429.454 4.037 5 20 IIBD Cc1cc(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc(C)c1OCC(=O)N1CCCCC1 741539883 HNHNQFHYDWBISH-SFHVURJKSA-N 439.512 4.094 5 20 IIBD COc1ccccc1-c1ccc([C@@H](C)NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1 741639992 KDODNZUUXGXVGW-MRXNPFEDSA-N 430.464 4.498 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(NC(=O)c3cc(C)ccc3[N+](=O)[O-])c2)c1 742060531 RTFZZPFFOFTBHN-UHFFFAOYSA-N 448.435 4.302 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 742514200 CPJYNIVHHGPYNN-KRWDZBQOSA-N 437.924 4.500 5 20 IIBD C/C(=C\C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc(F)cc1 743071103 LILZZDBFUZBBPC-DHZHZOJOSA-N 426.322 4.338 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nnc3n2CCCCCC3)cc1 743085872 GCKCJVJLNLKBHH-UHFFFAOYSA-N 434.500 4.334 5 20 IIBD Cc1ccc(C2(C(=O)O[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CCOCC2)cc1 745003242 BJTSAWRHDXUYLS-OAHLLOKOSA-N 446.887 4.175 5 20 IIBD CCOc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 745565559 RVMTVMSFSWLLTG-LLVKDONJSA-N 426.347 4.196 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 746856705 DBBBGYRTECIXQO-UHFFFAOYSA-N 439.346 4.205 5 20 IIBD CC(C)(C)OC(=O)Nc1ccccc1C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 748335131 QEOGWNDZYPMZFD-UHFFFAOYSA-N 449.847 4.391 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(N3CCSCC3)c(C)c2)cc1[N+](=O)[O-] 749821191 BLTFSAZCXJXPAX-UHFFFAOYSA-N 447.582 4.337 5 20 IIBD O=C(Nc1cccc(-n2ccnc2O)c1)c1cc(Br)cc([N+](=O)[O-])c1Cl 750841830 QZLBQGCNCLDCRW-UHFFFAOYSA-N 437.637 4.154 5 20 IIBD COc1cccc(OCC(=O)O[C@@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])c1 753470992 BICMXSMMIQWVQW-SFHVURJKSA-N 438.274 4.176 5 20 IIBD Cc1c([N+](=O)[O-])cnc(NC[C@H](O)c2ccc(OC(F)(F)F)cc2)c1Br 754026313 PHSYZKMVABXSAL-LBPRGKRZSA-N 436.184 4.105 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC([C@@H](O)c2ccccc2)CC1 754627703 FWHGTUWZAFUSAA-SFHVURJKSA-N 437.265 4.082 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[C@H](COCc2ccccc2)C1 755011511 JDTCGURSOITKJF-AWEZNQCLSA-N 437.265 4.175 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)Cc2ccc3c(c2)COC3)c2ccccc2)c([N+](=O)[O-])c1 755127655 YRRXWFMEEUHOML-XMMPIXPASA-N 446.459 4.399 5 20 IIBD CCC1(C(=O)Oc2ccc(Cl)cc2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)COC1 755359803 YLIYYEAEXMEESA-UHFFFAOYSA-N 439.251 4.486 5 20 IIBD C[C@@H](OC(=O)Cc1ccccc1NC(=O)OC(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 756463553 CESMNKWEOJPXPG-CQSZACIVSA-N 443.456 4.055 5 20 IIBD C[C@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(C(=O)c2ccccc2)c1 761487952 RLQZJBRTWUHMHZ-INIZCTEOSA-N 432.432 4.111 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)c1ccnc(Cl)c1F)c1cccc([N+](=O)[O-])c1 763934773 XOOKYIXDIYJKJS-CQSZACIVSA-N 435.839 4.024 5 20 IIBD Cc1cc(S(=O)(=O)N2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc([N+](=O)[O-])c1F 767246332 BRIUGSOGSBRPSR-CYBMUJFWSA-N 432.395 4.239 5 20 IIBD CN(CC(=O)NCc1ccco1)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 768194407 XNAMKRQVVXFUTP-UHFFFAOYSA-N 429.860 4.382 5 20 IIBD CCCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 769592353 LJLAJRXKXXFROO-UHFFFAOYSA-N 439.940 4.429 5 20 IIBD O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)c1cc([N+](=O)[O-])c2nsnc2c1 771521290 SWZMPKDYGSEPNX-QGZVFWFLSA-N 425.857 4.167 5 20 IIBD COc1cc(/C=C(/C(=O)NCc2cc([N+](=O)[O-])ccc2OC)c2ccccc2)ccc1O 772306146 XFRJQKOFYQODLI-UDWIEESQSA-N 434.448 4.175 5 20 IIBD CCC[C@@H](NC(=O)COC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccccc1 773603107 MAJRLSIWASJFTE-GFCCVEGCSA-N 441.303 4.233 5 20 IIBD CC(=O)N[C@@H](CC(=O)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1ccc(C)cc1 776138126 FACCHVOYOBUJFP-XUZZJYLKSA-N 433.464 4.198 5 20 IIBD COc1cc(CNC[C@H](O)c2cc3ccccc3s2)c([N+](=O)[O-])cc1OCC(F)F 779093921 MMDUFSKGRSFNIK-HNNXBMFYSA-N 438.452 4.285 5 20 IIBD C[C@@H](OC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C(=O)c1c[nH]c2ncccc12 781257274 RVBMUUARVQEFGY-LLVKDONJSA-N 447.397 4.264 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@H](c2cccc(C(F)(F)F)c2)C1 784482055 STNVXAMGLJYHTH-HNNXBMFYSA-N 435.402 4.401 5 20 IIBD CN(C(=O)c1ccco1)c1ccccc1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 787608011 ZYJIBIMQNBJGSY-UHFFFAOYSA-N 447.369 4.413 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(Oc3cccc(S(C)(=O)=O)c3)cc2)c1F 790541833 CXFLBAJTMFVKGS-UHFFFAOYSA-N 444.440 4.490 5 20 IIBD O=C(c1cc(Cl)ncc1Cl)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791246731 YXFBYLOJQZRMSY-UHFFFAOYSA-N 431.073 4.258 5 20 IIBD COc1c(C(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc(C)c1Br 791970505 JQHMKJSHLRDHRV-UHFFFAOYSA-N 431.220 4.001 5 20 IIBD COc1ccc(-c2ccc(NS(=O)(=O)c3cccc(F)c3[N+](=O)[O-])nc2)cc1Cl 795645387 KRTBMGQQJLJRHC-UHFFFAOYSA-N 437.836 4.259 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)O[C@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 795710566 WNLGXXGUEVRCMW-MRXNPFEDSA-N 441.484 4.168 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1 796080779 JQJNXSXEPXIDAI-HXUWFJFHSA-N 446.912 4.173 5 20 IIBD CCCC[C@H](C)C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 799857905 HYXVGQJRELKXAN-JASJWYONSA-N 439.921 4.227 5 20 IIBD Cc1cn(-c2ccc(F)cc2)nc1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 801452064 XLSLUKHBXKUPAN-LBPRGKRZSA-N 446.822 4.065 5 20 IIBD COc1ccncc1COC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 805373158 KZPQAAQPEFKQJY-UHFFFAOYSA-N 444.447 4.137 5 20 IIBD CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1c1nc(Cc2ccccc2[N+](=O)[O-])no1 809240194 MLMKBEDMMCNCCU-HXUWFJFHSA-N 436.468 4.451 5 20 IIBD CC(C)S(=O)(=O)c1ccc(CC(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 811083959 FGVJEZRKTZMHQW-UHFFFAOYSA-N 446.308 4.370 5 20 IIBD CC(C)(C(=O)OCC(=O)c1ccc(C(F)(F)F)nc1Cl)c1ccc([N+](=O)[O-])cc1 811131251 CBUBRJZGBNAUTP-UHFFFAOYSA-N 430.766 4.366 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 814242640 JBOJFQIJSHJTEE-UHFFFAOYSA-N 449.482 4.104 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC2(CCN(Cc3ccccc3)CC2)C1 814332109 WNZMNZATUWROSJ-UHFFFAOYSA-N 445.922 4.445 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 815656611 BAIWGUDYBDUSQM-SFHVURJKSA-N 426.366 4.339 5 20 IIBD CCNc1ccc(C(=O)O[C@H](C)C(=O)Nc2c(C(C)=O)oc3ccccc23)cc1[N+](=O)[O-] 821855413 UXYCBVUELDOISK-CYBMUJFWSA-N 439.424 4.159 5 20 IIBD O=[N+]([O-])c1cccc(Br)c1CNc1ccc(Cl)c(-n2nnnc2C2CC2)c1 864008061 ITEIMRXCBCFTOO-UHFFFAOYSA-N 449.696 4.476 5 20 IIBD CC(C)CN(C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C1CCCC1 914516762 DHCUDOGACJZYFX-UHFFFAOYSA-N 446.525 4.403 5 20 IIBD O=Cc1cc([N+](=O)[O-])ccc1OCC(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 917180975 IYTUAQGLZUGZPN-OAQYLSRUSA-N 443.459 4.216 5 20 IIBD Cc1sc(NC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)nc1-c1cccc([N+](=O)[O-])c1 917791339 QBIHZDUGJRUGOX-KRWDZBQOSA-N 426.429 4.298 5 20 IIBD O=C(NCCOC(=O)C1(c2ccc(F)cc2)CCCC1)c1ccc([N+](=O)[O-])cc1Cl 920148821 SHBJKWGMQLKFDD-UHFFFAOYSA-N 434.851 4.172 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@H]1CCCc2c1cnn2Cc1ccccc1 1319572411 JHMNKKPRBJWZOH-FQEVSTJZSA-N 439.903 4.370 5 20 IIBD CC(C)(c1nnc(-c2cc(-c3ccncc3)nc3ccccc23)o1)n1cc([N+](=O)[O-])cn1 1345701451 CKECEZOGIBXZIF-UHFFFAOYSA-N 427.424 4.235 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]3C3CC3)cc2)CCC1)c1cc(O)cc([N+](=O)[O-])c1 1786057557 VRYGALADFQMOHU-NHCUHLMSSA-N 435.480 4.094 5 20 IIBD O=C(CCCn1cccc1)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1 1791899783 PUWRTXOAELGFQH-UHFFFAOYSA-N 436.468 4.217 5 20 IIBD Cc1ccc(C)c(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C3)c1 1801759176 BXNDFGQAXWXPBO-LKZBZSNWSA-N 447.535 4.106 5 20 IIBD CCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)CC1 1806494736 XQJLAHLIXYBIKW-UHFFFAOYSA-N 429.561 4.195 5 20 IIBD O=C(c1cccc(Cl)c1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823613647 HGUURIBSYGEUBL-SFHVURJKSA-N 445.903 4.388 5 20 IIBD C/C=C/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1832904838 YIQYFCWKLDKUGO-PIZZWMRYSA-N 437.540 4.360 5 20 IIBD O=C(c1cccc2ccccc12)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)C1 1845314582 HBROBHDNKMLIQO-UHFFFAOYSA-N 433.439 4.018 5 20 IIBD C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 11347693 WQZUDSJIYWXEFW-JTQLQIEISA-N 427.417 4.385 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)N(S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2 14099080 CHELSSBHJFUSIO-UHFFFAOYSA-N 440.321 4.384 5 20 IIBD COc1cccc(NC(=O)[C@H](c2ccccc2)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 16565390 NAOVAXNUXZZRMR-DEOSSOPVSA-N 446.507 4.105 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cnc2ccccc2c1C(F)(F)F 25985614 VYFXQUBJUVUTSD-UHFFFAOYSA-N 433.342 4.266 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 26119867 MVDWNJBSZKCNTI-UHFFFAOYSA-N 426.425 4.130 5 20 IIBD O=C(COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])N[C@@H](c1ccccc1)c1cccs1 26854138 YWXVKVFPUZESBK-IBGZPJMESA-N 430.869 4.372 5 20 IIBD O=C(Nc1ccccc1Cl)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 71794434 GPBFHBNHIZGJHF-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccc(N3CCCC3)nc2)cc1[N+](=O)[O-])c1ccccn1 108785739 PSTHGDTYEHMWMV-MRXNPFEDSA-N 432.484 4.410 5 20 IIBD O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)c(Br)c1 301720405 PUJSUQIZZWHCHZ-VQIMIIECSA-N 431.334 4.243 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2cnc(C3CCCC3)nc2N)no1 426203379 ZFSIDMCIKPEGAU-SNVBAGLBSA-N 430.852 4.468 5 20 IIBD C[C@@H](CO)NC(=O)c1ccc(NCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)cc1 428343359 BEJIOJNYORVSDE-KRWDZBQOSA-N 434.496 4.085 5 20 IIBD C/C(=C\c1ccccc1)CN(C)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C 430363511 XYPZOJUPPBOCMP-UKTHLTGXSA-N 446.301 4.166 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(Oc2ncc(Br)cn2)c1 432882992 FSFKZKDHYOEGRL-UHFFFAOYSA-N 429.230 4.121 5 20 IIBD CC(C)(C)NS(=O)(=O)c1ccccc1CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 433154500 ZOHCYBYSMGZLRK-LJQANCHMSA-N 431.558 4.184 5 20 IIBD CCNC(=O)Nc1cccc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1C 433750625 IGVHGXSOZGMKQH-UHFFFAOYSA-N 439.394 4.385 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 433789954 SCFSCEMYWXORQH-PSLIRLAXSA-N 434.212 4.045 5 20 IIBD CCOc1cc(CS(=O)(=O)Cc2ccc(Br)cc2C)ccc1[N+](=O)[O-] 434641678 XRSTXPRPNYIOAR-UHFFFAOYSA-N 428.304 4.179 5 20 IIBD CC[C@](C)(COc1ncccc1Cl)NC(=O)c1ccc([N+](=O)[O-])cc1Br 435458898 LFPWWZPEKMGSJR-QGZVFWFLSA-N 442.697 4.383 5 20 IIBD CN(C)[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1cccc(F)c1 435831051 MGGZGODNJIURKV-FQEVSTJZSA-N 439.437 4.131 5 20 IIBD Cc1ccc(Br)c(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 438666100 OSLRAJJSXNJXHO-UHFFFAOYSA-N 434.290 4.041 5 20 IIBD CC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 438786688 QRVRFSWPAUHAGD-UHFFFAOYSA-N 446.312 4.231 5 20 IIBD CC(=O)Nc1ccc(C)c2c1CCCN2C(=O)Cc1ccc([N+](=O)[O-])cc1Br 438946715 YFGWPLPGBWUFSZ-UHFFFAOYSA-N 446.301 4.146 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)[C@@H]1CCn2ccnc2C1 439962684 QAWYUSMZIXFCKT-CQSZACIVSA-N 444.850 4.255 5 20 IIBD C[C@@H](CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 443487289 GRMWZIBEIFIRGW-AWEZNQCLSA-N 437.418 4.302 5 20 IIBD CCOc1ccc([C@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C(C)C)cc1OCC 443711189 RKDZBIYGKWBGII-OAQYLSRUSA-N 436.530 4.209 5 20 IIBD CCOc1ccc(NC(=O)Cc2noc([C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 445329714 FLEZGMNZEOAZOL-LBPRGKRZSA-N 446.847 4.351 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 446491334 WOHVGKJKWLZRFA-UHFFFAOYSA-N 437.283 4.200 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCC[C@H]2C(F)(F)F)c(C(F)(F)F)c1 447038360 LDYUCROQBMEHMK-MWLCHTKSSA-N 434.358 4.261 5 20 IIBD CSc1cccc(C(=O)N2CCN(C(=O)c3cc4ccccc4s3)CC2)c1[N+](=O)[O-] 447734237 USAAPEBKWBVSSS-UHFFFAOYSA-N 441.534 4.130 5 20 IIBD CCN(CC(=O)Nc1c(C)cccc1C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 460644722 FIGAQODYMFXGAY-UHFFFAOYSA-N 433.892 4.121 5 20 IIBD O=C(c1cc(C(=O)N2CCc3ccc(F)cc32)cc([N+](=O)[O-])c1)N1CCc2ccc(F)cc21 460658571 TXZBBHOFTCYZGW-UHFFFAOYSA-N 449.413 4.279 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1CCC(F)(F)[C@@H](CO)C1 462673469 HRBVAYDWMBKNOM-CYBMUJFWSA-N 442.871 4.489 5 20 IIBD CCN(c1ccccc1)c1ccc(CNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)cc1 462910544 LDGOUTLNLYNTEW-UHFFFAOYSA-N 426.498 4.012 5 20 IIBD CCOc1cc(CCCNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OC 463673457 DPZPQVDEAYZXQH-UHFFFAOYSA-N 426.391 4.384 5 20 IIBD CCOc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 463683981 WWBRSYLVKIONOQ-SFHVURJKSA-N 427.482 4.068 5 20 IIBD Cn1nc(-c2cccc(C(F)(F)F)c2)cc1NC(=O)NCCc1ccccc1[N+](=O)[O-] 467975744 UGGAGCOIHHGFSD-UHFFFAOYSA-N 433.390 4.378 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(Oc2ccncc2)c(Cl)c1 468853355 FILRKMNJPVBMHL-MRXNPFEDSA-N 444.879 4.307 5 20 IIBD Cc1cc(-c2noc([C@@H](C)NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)n2)ccc1F 472373528 NEBNJFHSCAWJOL-GFCCVEGCSA-N 425.420 4.158 5 20 IIBD O=C1CCc2cc(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)c(F)cc2N1 477078821 YJAMDCBMZMZBBL-UHFFFAOYSA-N 437.377 4.236 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H](CO)c1c(Cl)cccc1Cl 478438391 XTOMWLBHBJLTPN-GFCCVEGCSA-N 435.716 4.497 5 20 IIBD O=C(NCCc1cccc(OCC(F)(F)F)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 478493308 BRJWFJPAOCSRMM-UHFFFAOYSA-N 437.418 4.109 5 20 IIBD O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCO[C@H](c2ccc(F)c(Br)c2)C1 479244109 KZJHAZOZXZSFFL-HNNXBMFYSA-N 443.656 4.364 5 20 IIBD Cc1cc(NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc(N2CCN(C(C)C)CC2)c1 480461745 AJIOYNAQMXLKCW-UHFFFAOYSA-N 448.571 4.446 5 20 IIBD CCn1c(SCc2nc([C@H](C)OCC(C)C)no2)nnc1-c1ccc([N+](=O)[O-])cc1 481370804 MFBFUZWAPRQFRT-ZDUSSCGKSA-N 432.506 4.282 5 20 IIBD CCCCN1C(=O)C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H]1c1ccc(OC)cc1 481715869 YRQWFPQABMPNRO-PGRDOPGGSA-N 425.485 4.240 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 481885965 JDRDXKZYQXUTEC-XZOQPEGZSA-N 448.567 4.322 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)cc1SC 483353698 SHXZLKYJBBGWJB-UHFFFAOYSA-N 435.465 4.287 5 20 IIBD COc1cc([C@@H]2Nc3cc(Cl)ccc3C(=O)N2C)c([N+](=O)[O-])cc1OCC(F)F 484935747 KWYISKNDGYZPDM-QGZVFWFLSA-N 427.791 4.097 5 20 IIBD CSc1cccc(C(=O)N2[C@H]3CC[C@H]2CC(N(C)C(=O)c2ccccc2)C3)c1[N+](=O)[O-] 485518181 UGRBLNYAGJZIFW-IRXDYDNUSA-N 439.537 4.225 5 20 IIBD CC(C)c1c(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cnn1-c1ccccc1 488067711 QSSMPAXGYNDMSY-UHFFFAOYSA-N 427.848 4.135 5 20 IIBD CCOC(=O)c1ccc(N(CC2CC2)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1 488313969 VCPDPSKPXUNAFI-UHFFFAOYSA-N 434.452 4.014 5 20 IIBD O=[N+]([O-])c1ccn(C2CCN(Cc3ncc(-c4ccccc4Br)o3)CC2)n1 488974933 WGIICYYZYKPRFL-UHFFFAOYSA-N 432.278 4.046 5 20 IIBD CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccc(Br)c(F)c1 494294230 XJEFZYBEUJDDHO-UHFFFAOYSA-N 430.661 4.220 5 20 IIBD O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)c1ccc([N+](=O)[O-])c2cccnc12 498159113 HMIHUYPUEASHGH-UHFFFAOYSA-N 440.765 4.019 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 501597006 SNIGXWPEENFWEE-UKRRQHHQSA-N 438.509 4.022 5 20 IIBD CN([C@H]1CCSc2ccc(Br)cc21)S(=O)(=O)c1ccccc1[N+](=O)[O-] 507545173 DNWCMARAFOIVGL-ZDUSSCGKSA-N 443.344 4.215 5 20 IIBD CCCc1cnc(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)s1 509307238 RVWLKZIZPZZRHN-UHFFFAOYSA-N 431.255 4.169 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CNc2cc(S(C)(=O)=O)ccc2F)cc1OC 513646534 ZHTLYTQYSLJZLZ-CYBMUJFWSA-N 440.493 4.183 5 20 IIBD Cc1cccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)n2C)c1 514175721 DLNHQXMOLGHWLH-GFCCVEGCSA-N 431.905 4.471 5 20 IIBD CN(C(=O)c1cccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1)c1ccccc1 515625725 BQFXQDGMQPLRAF-UHFFFAOYSA-N 441.447 4.309 5 20 IIBD C[C@@]12CCCN1C[C@H](c1noc(-c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)n1)OC2 516684644 HPXMGRMRPWAFSE-OFNKIYASSA-N 435.484 4.183 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N2C[C@@H](C)OC(C)(C)C2)cc1[N+](=O)[O-] 519951904 HGKYHCFVIHLURX-CQSZACIVSA-N 428.510 4.187 5 20 IIBD COc1ccc(COCc2cccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])c2)cc1 520017831 SVFQSHBRYSNMAY-UHFFFAOYSA-N 428.466 4.121 5 20 IIBD O=[N+]([O-])c1ccccc1-c1ccc(CNCCCN2CCN(c3ccncc3)CC2)s1 520213312 VLKUAMDCCMNAFX-UHFFFAOYSA-N 437.569 4.020 5 20 IIBD O=C([C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1Cc2ccccc2-c2ccccc2C1 520340957 FWCVELQWVNCNIT-FQEVSTJZSA-N 447.516 4.470 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccnc(OCc2ccccc2)c1 520388750 BRABFNODICXJNA-HNNXBMFYSA-N 441.871 4.306 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CCCc3cc(Cl)cc(F)c32)cc1[N+](=O)[O-] 521002325 CEJWLBCWGRFJKH-UHFFFAOYSA-N 447.879 4.260 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCCc2cc(Cl)cc(F)c21 521004507 OYHQKADZGYFVKQ-UHFFFAOYSA-N 433.823 4.055 5 20 IIBD COc1cc([C@@H](C)NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)ccc1OCC(C)C 521389645 QGDPKYPFVPUPTC-MRXNPFEDSA-N 438.484 4.315 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)NC2CCC(c3ccccc3)CC2)ccc1[N+](=O)[O-] 522472157 BYORREDDELRBOX-IRSIHTCSSA-N 435.524 4.350 5 20 IIBD COc1ccc(Cl)cc1C[C@@H]1CCCN(c2cc3ncnc(O)c3cc2[N+](=O)[O-])C1 524638697 VDLYXPCJKVLMKS-ZDUSSCGKSA-N 428.876 4.365 5 20 IIBD O=C(CCC(=O)N1CCSc2ccccc21)Nc1cc([N+](=O)[O-])ccc1OC(F)F 531027546 MPZWRZLQNMYYJF-UHFFFAOYSA-N 437.424 4.054 5 20 IIBD CCCc1ccc([C@]2(C)NC(=O)N(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2=O)cc1 534796852 ZXJYIVQUZRXGHA-QHCPKHFHSA-N 434.452 4.170 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@H](C)c3ccc([S@](C)=O)cc3)cc2[N+](=O)[O-])C1 535205098 FYVSGHSJUHSUSH-YYSVOXLCSA-N 443.569 4.306 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1SCC(=O)N1CCc2ccccc21 535517552 ARNLNQFEMUJOKR-UHFFFAOYSA-N 449.488 4.234 5 20 IIBD CC(C)N(CCNC(=O)C1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1)C(C)C 535987647 UMAMEKNPCDDFAU-UHFFFAOYSA-N 444.498 4.065 5 20 IIBD C[C@@H](NCc1ccccc1[N+](=O)[O-])c1cccc(S(=O)(=O)NC2CCCCCC2)c1 536804804 CNBDSEPEAJTJQW-QGZVFWFLSA-N 431.558 4.447 5 20 IIBD O=[N+]([O-])c1cc(CN2CCS(=O)(=O)[C@H]3CCCC[C@H]32)ccc1Oc1ccc(F)cc1 539841095 YDEXBADAJKSYGV-NQIIRXRSSA-N 434.489 4.068 5 20 IIBD CS(=O)(=O)c1ccc(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1C(F)F 540530320 OFGFITHITJLNFF-UHFFFAOYSA-N 441.456 4.080 5 20 IIBD C[C@H](Nc1ccc(C(=O)N(C)C[C@@H](C)c2nccs2)cc1[N+](=O)[O-])c1ccccn1 542348053 FXONNZFKKJBOIQ-CABCVRRESA-N 425.514 4.495 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC(C)(c2ccccc2)C1 545991319 UNRKDVZFWMMGCR-UHFFFAOYSA-N 428.510 4.100 5 20 IIBD COc1cc(Cc2noc([C@@H](C)SCC(=O)Nc3ccc(F)cc3)n2)ccc1[N+](=O)[O-] 546466200 FAXGKNXTCBZSBI-GFCCVEGCSA-N 446.460 4.149 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)NC1(c2cccc(Br)c2)CCOCC1 548416246 OMZUCFVAIMWJNF-UHFFFAOYSA-N 438.253 4.324 5 20 IIBD CCn1c2ccccc2c2cc(NC(=O)C(=O)N(C)CCc3cccc([N+](=O)[O-])c3)ccc21 549346294 ZWXSPQUSUHPCBC-UHFFFAOYSA-N 444.491 4.362 5 20 IIBD COc1cc(CS(=O)(=O)c2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OC(F)F 549445259 OLMRSVSPKCFTOW-UHFFFAOYSA-N 442.223 4.486 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](COCc2ccccc2)C1 550273234 MJIIDCCLRWARGZ-MRXNPFEDSA-N 433.302 4.345 5 20 IIBD CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1cc([N+](=O)[O-])cc(Br)c1C 550687833 SNJNRQASROCEGB-UHFFFAOYSA-N 448.317 4.030 5 20 IIBD COCCCOc1ccc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 557070472 SYFUQWDGJDTTFV-UHFFFAOYSA-N 427.482 4.064 5 20 IIBD C[C@@H](CCOCc1ccccc1)Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl 561694853 DCEVKIJHTHCLSR-HNNXBMFYSA-N 428.876 4.201 5 20 IIBD CCOc1cc(C(=O)N[C@@H]2CC[C@H](c3ccccc3)C[C@H]2OC)c([N+](=O)[O-])cc1OC 564189801 HJHWWSQPAKIDOB-ILZDJORESA-N 428.485 4.083 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CN[C@@H]2CCO[C@H](c3ccccc3)C2)c1 574123040 GUJZPSPBEYGUAZ-AEFFLSMTSA-N 438.265 4.209 5 20 IIBD Cc1cnn([C@@H]2CCN([C@H](C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c3ccccc3)C2)c1 580261759 WBKXRVHMGJNOJP-NQIIRXRSSA-N 439.903 4.380 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])N(C[C@@H]1CCCO1)c1nc2ccccc2s1 603946676 UPFZEUIKEPJEJQ-HNNXBMFYSA-N 427.482 4.186 5 20 IIBD Cc1ccc(Cc2sc(NC(=O)c3nnn(-c4cccc([N+](=O)[O-])c4)c3C)nc2C)cc1 603974518 XWIPIEXXHINYDL-UHFFFAOYSA-N 448.508 4.400 5 20 IIBD CC(=O)Nc1c(C)ccc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c1C 604011062 UJRVSSWIMHOHAX-UHFFFAOYSA-N 435.484 4.284 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCCN2CCCc3ccccc32)cc1[N+](=O)[O-])c1ccccn1 604336848 ADBCYBYFMBCQHX-SFHVURJKSA-N 445.523 4.346 5 20 IIBD CCCCc1cc(NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)n[nH]1 604498269 MCBSIACHYUSVDU-UHFFFAOYSA-N 435.484 4.210 5 20 IIBD O=C(CSCC(=O)c1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 604528356 SXPAYXJCXAVBIH-UHFFFAOYSA-N 430.816 4.404 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)CCNc1ccccc1[N+](=O)[O-] 604570274 MKUXWDKQXMZADE-UHFFFAOYSA-N 426.448 4.282 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cc1C 609770280 KEETZYUEAOYJJD-HNNXBMFYSA-N 429.498 4.270 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCS[C@H](c2ccccc2)C1 609790005 UMTFQOLBFLNIGD-KRWDZBQOSA-N 426.416 4.466 5 20 IIBD COC(=O)c1cc(NC(=O)c2cnn(-c3ccc(C)cc3)c2C(F)(F)F)cc([N+](=O)[O-])c1 609837938 PMNFEFFDONBASM-UHFFFAOYSA-N 448.357 4.147 5 20 IIBD CS[C@H]1CCC[C@H](NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C1 609861139 PHUJACIMJVSYAN-JQWIXIFHSA-N 429.329 4.491 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1 610032178 FLXUOZACMZAIFE-UHFFFAOYSA-N 432.889 4.249 5 20 IIBD CN(C)C(=O)C[C@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc21 610178399 VEDQJRARLCHGJC-AWEZNQCLSA-N 429.904 4.135 5 20 IIBD O=C(O)Cc1csc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1 610837880 KHZAFKYXGGTAJR-UHFFFAOYSA-N 433.829 4.376 5 20 IIBD O=[N+]([O-])c1cc2c(cc1CNc1cccc(C[S@@](=O)Cc3ccccc3)c1)OCCO2 610911430 RNTZVBRQMKONAG-HKBQPEDESA-N 438.505 4.427 5 20 IIBD C[C@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1cc2c(cc1Br)OCCO2 617702998 USAHYEZZAWJPDK-NEPJUHHUSA-N 435.274 4.109 5 20 IIBD CCOCCNC(=S)/C(=C(/O)c1cccc([N+](=O)[O-])c1)[n+]1ccc(C(C)(C)C)cc1 725762581 KKZXCRZALBICEN-UHFFFAOYSA-O 430.550 4.017 5 20 IIBD COc1ccc2cc(COC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)ccc2c1 726501168 HUXVXDKDHGUIDG-HSZRJFAPSA-N 448.475 4.413 5 20 IIBD O=C(CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)NCc1ccccc1 726607481 XJJMHKYWHLKPEH-UHFFFAOYSA-N 444.285 4.023 5 20 IIBD C[C@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 727140605 UNTACIDRBDHXLE-MGPUTAFESA-N 425.485 4.134 5 20 IIBD Cc1c(C(=O)NC(C)(C)Cc2ccc(Br)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 727341446 KJJGEDRWHZYTDP-UHFFFAOYSA-N 436.262 4.325 5 20 IIBD Cc1nc(-c2ccccc2)sc1CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 727347017 XHJMYYVUKHNORO-UHFFFAOYSA-N 426.454 4.482 5 20 IIBD CCCCC(=O)N1CSC[C@@H]1C(=O)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 728166564 MDFXXHXPKMCMMA-QGZVFWFLSA-N 425.938 4.083 5 20 IIBD COc1cc(C(=O)OCc2sc(C)nc2C)c([N+](=O)[O-])cc1OCc1cscn1 729206809 LKHGHUWTGPFMTB-UHFFFAOYSA-N 435.483 4.069 5 20 IIBD Cc1nc(C)c([C@@H](C)N(C)C(=O)c2cc([N+](=O)[O-])ccc2I)s1 730202924 TZDVBOMXYRFNFT-SECBINFHSA-N 445.282 4.106 5 20 IIBD C[C@H](OC(=O)CCc1cc(Br)cs1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 730646740 KSHSSPWMNJKFHS-VIFPVBQESA-N 445.266 4.061 5 20 IIBD O=C(NC[C@H](O)c1cccc(C(F)(F)F)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 730838345 RCUPHNWFLGMJOY-INIZCTEOSA-N 437.399 4.201 5 20 IIBD CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 731032369 IEQFOEKSJDOFHF-UHFFFAOYSA-N 445.882 4.281 5 20 IIBD NC(=O)c1cccc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)cc2)c1 731648210 PUODHMCGWGMWAU-UHFFFAOYSA-N 446.463 4.339 5 20 IIBD C[C@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1nc2cc(Br)cnc2[nH]1 735217992 NKUCJSPTVCFHIK-QMMMGPOBSA-N 431.202 4.293 5 20 IIBD COc1cc(COC(=O)COc2cccc(Cl)c2C)c([N+](=O)[O-])cc1OC(F)F 736907929 LZLWAZHGBDVNKJ-UHFFFAOYSA-N 431.775 4.289 5 20 IIBD COc1ccc(-c2nc(COC(=O)c3ccc([N+](=O)[O-])cc3Br)co2)cc1 740423632 TXTOMUDYNDQTNN-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD COc1cc(C(=O)NC[C@H](O)c2ccc(C)o2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 741302406 LHFUUXORPBBMGS-INIZCTEOSA-N 446.843 4.414 5 20 IIBD CSc1ccc(C(=O)N(c2ccc(O)cc2)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 743486799 RNCXILJIRXQFIA-UHFFFAOYSA-N 444.490 4.058 5 20 IIBD C[C@@H](OC(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)c1ccccc1[N+](=O)[O-] 744066813 WUOAIXDYSBAPJE-WBVHZDCISA-N 443.525 4.151 5 20 IIBD CC(C)c1c(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(F)cc1 744690967 GLQIPMUDWPIJHR-AWEZNQCLSA-N 440.431 4.227 5 20 IIBD CCOC(=O)c1cc(C(=O)O[C@H](C)c2nc(-c3ccccc3C)no2)cc([N+](=O)[O-])c1 746059496 KSDBQAWAHXPFSQ-CYBMUJFWSA-N 425.397 4.048 5 20 IIBD O=C(OCc1cc(Cl)c2c(c1)OCCO2)c1csc(-c2cccc([N+](=O)[O-])c2)n1 747628036 OKKBPTGWBAXISS-UHFFFAOYSA-N 432.841 4.500 5 20 IIBD CN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 747709526 DBONVKUBNFRRQC-UHFFFAOYSA-N 446.529 4.190 5 20 IIBD Cc1ccc(NC(=O)Cc2nc(COC(=O)Cc3cccc([N+](=O)[O-])c3C)cs2)cc1 748472484 UGVUZVLTYJRIMC-UHFFFAOYSA-N 439.493 4.135 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1cc(Cl)ccc1OC(F)F 749087436 GHXMICDNSWUKMZ-SECBINFHSA-N 449.815 4.171 5 20 IIBD C[C@H](OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)c1nc2ccccc2s1 749218283 MRQISOYBBFLOCC-KBPBESRZSA-N 427.482 4.060 5 20 IIBD CCNC(=O)Nc1cccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)c1 749419050 LDXRJYKWAFIGRN-UHFFFAOYSA-N 441.669 4.404 5 20 IIBD O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1cc(-c2ccccc2Cl)[nH]n1 750426211 AJSLODWAKHQNID-UHFFFAOYSA-N 441.875 4.107 5 20 IIBD COC(=O)c1ccc(F)cc1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1-c1cccs1 750984832 KMELYPBJIRUHMT-UHFFFAOYSA-N 437.426 4.017 5 20 IIBD CC(C)Oc1cc(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)ccn1 752361057 RCVCMTDSDFNOHP-UHFFFAOYSA-N 428.670 4.123 5 20 IIBD CCc1ccc([C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)N(C)C)cc1 754639497 IURZLSIZWPDBGY-KRWDZBQOSA-N 438.297 4.092 5 20 IIBD CN(c1ccccc1)C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 754993682 JQZMFMSPVOGOAV-UHFFFAOYSA-N 436.281 4.237 5 20 IIBD CCCCN(C)CC1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 755032127 XRIUAEZXNFOLKC-UHFFFAOYSA-N 427.343 4.333 5 20 IIBD COc1ccc(CCC(C)=O)cc1OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 756023926 WUUIYQCAGJODFS-UHFFFAOYSA-N 426.450 4.468 5 20 IIBD O=C(C[C@H]1CCCCO1)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 756504230 NQGAFIZJIWVRRT-UZLBHIALSA-N 432.860 4.430 5 20 IIBD C[C@@H](OC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C(=O)Nc1ccc(Br)cc1 756765905 MQLYFRLSGQVJDQ-SNVBAGLBSA-N 432.230 4.023 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CCOc2ccc(Br)cc21 759324379 UAUMRSBMTHBFDQ-UHFFFAOYSA-N 442.063 4.159 5 20 IIBD C[C@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 759999789 YJZGMYHQUCIDTH-OXJNMPFZSA-N 427.501 4.156 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](O)c2cccc(OCc3ccccc3)c2)c1 761602450 XVMCFPULKBGHBV-QFIPXVFZSA-N 438.505 4.359 5 20 IIBD O=C(NC[C@H](O)COc1cccc(F)c1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 762295970 GYEVHGAALQSDJM-KRWDZBQOSA-N 442.468 4.055 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 762523016 WIALFKSVCMWFDD-UHFFFAOYSA-N 439.833 4.064 5 20 IIBD CN1CC[C@@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 762724849 DAECMXZSUXNWGC-SJCJKPOMSA-N 426.275 4.464 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2nnc([C@H]3CCCc4ccccc43)s2)cc1[N+](=O)[O-] 762924071 XUVOEDZRZKDCTD-HNNXBMFYSA-N 439.453 4.383 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 765841591 RCCFIEFEYRPKTO-PKOBYXMFSA-N 447.557 4.206 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 771765407 NOXLYKXLBLFLAS-NEPJUHHUSA-N 446.426 4.381 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2csc(Br)c2C)cccc1[N+](=O)[O-] 772462669 XHLVNXVLAVPSBB-SNVBAGLBSA-N 427.276 4.220 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)OCc1cc(=O)n2cc(Cl)ccc2n1 775092101 WMBHJLFNWPGNKD-UHFFFAOYSA-N 433.873 4.114 5 20 IIBD CC(C)(CC(=O)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C 776132221 GRLYEHQKNKYBBF-LJQANCHMSA-N 429.473 4.316 5 20 IIBD O=C(NCCCC(=O)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])NC1CCCCC1 776136665 KXULHWCMZMXELE-QFIPXVFZSA-N 440.500 4.035 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc(CC(=O)O[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 777332109 FARGOWUJENZNKN-QZTJIDSGSA-N 444.488 4.408 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)O[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 781821573 HYAUUSNQVRCVPP-INIZCTEOSA-N 446.525 4.153 5 20 IIBD Cc1nc(C)c(C(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)o1 782008311 NURHZPUHBRGNKA-UHFFFAOYSA-N 442.811 4.124 5 20 IIBD O=C(Cc1cncs1)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 782355890 FJLNGORIMGZCHE-SFHVURJKSA-N 431.857 4.170 5 20 IIBD C[C@H](OC(=O)C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1)c1ccccc1[N+](=O)[O-] 782859399 CAGYAXCYWQMJGB-HRAATJIYSA-N 434.448 4.466 5 20 IIBD Cc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cnc1Br 783632246 UBLUFVDLKDTBKM-UHFFFAOYSA-N 433.031 4.215 5 20 IIBD O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CC[C@@](O)(c2ccc(F)cc2)C1 785239869 RRTYERYEGIIYRP-DEOSSOPVSA-N 436.439 4.047 5 20 IIBD Cc1cc(C)c(NC(=O)COC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c(C)c1 792473177 PKTSFAGTFFCQIB-UHFFFAOYSA-N 435.274 4.386 5 20 IIBD CC(C)COc1cccc(COC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1 793409442 HURNHURWDBKUQC-UHFFFAOYSA-N 442.497 4.266 5 20 IIBD CC(C)(C(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 794022973 ARUKWMGJWZGLBA-IBGZPJMESA-N 439.512 4.037 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)ccc1Cl 795645100 SDJFMPUHDZRLQQ-UHFFFAOYSA-N 449.272 4.360 5 20 IIBD O=C(CN(Cc1ccccc1)C[C@@H](O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl 796365997 XMJXSSTVPFFSBS-JOCHJYFZSA-N 439.899 4.423 5 20 IIBD CCNc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1[N+](=O)[O-] 797671242 JUSLTOJNCZNEAA-MRXNPFEDSA-N 440.500 4.201 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CN(C(=S)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 799906857 FUUXDPCFVPEZPE-RBUKOAKNSA-N 442.541 4.284 5 20 IIBD CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F 804175761 NTHZSCRHXSINAK-UHFFFAOYSA-N 429.370 4.013 5 20 IIBD CCN(Cc1noc(-c2cc([N+](=O)[O-])cc(Br)c2C)n1)C(=O)OC(C)(C)C 809380475 VXWYJAYJVNPPDE-UHFFFAOYSA-N 441.282 4.473 5 20 IIBD O=C1CCCN1Cc1cccc(-c2noc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)n2)c1 809407682 JPQACNUNSFNFNK-UHFFFAOYSA-N 433.468 4.034 5 20 IIBD CC[C@H]1[C@@H](c2nc(Cc3cc(OC)ccc3[N+](=O)[O-])no2)CCN1C(=O)OC(C)(C)C 810309635 ZMSASJUPFUSBPJ-HOTGVXAUSA-N 432.477 4.080 5 20 IIBD Cc1c([C@@H](C)NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)oc2ccccc12 810353198 BSLSHDPBOFXKOF-LLVKDONJSA-N 446.257 4.228 5 20 IIBD CCCCN1C(=O)CC[C@@H](c2nc(CCC(C)(C)[N+](=O)[O-])no2)[C@H]1c1ccc(OC)cc1 812813494 LUJPMUICYVCQHA-WIYYLYMNSA-N 444.532 4.314 5 20 IIBD Cc1noc2nc(C(C)C)cc(C(=O)OCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])c12 813363628 NVSVOEKKRZNILW-UHFFFAOYSA-N 432.820 4.012 5 20 IIBD Cc1ccc(CN2C(=O)CC[C@H]2C(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 815215830 RKAPGSARSOAZNK-SFHVURJKSA-N 436.386 4.156 5 20 IIBD COc1ccc(C(=O)CCC(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1F 815217713 HSFCJTWBXNSDOA-UHFFFAOYSA-N 429.322 4.468 5 20 IIBD COc1cc(C(=O)N[C@@]2(C)CC(C)(C)OC2=O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 820560621 PICAVYBZMBHGLN-NRFANRHFSA-N 448.859 4.263 5 20 IIBD COc1cc(C2SCCS2)ccc1OS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F 820768462 QWUCQFUGTACSAO-UHFFFAOYSA-N 445.515 4.297 5 20 IIBD COC(=O)CCSc1cc(Cl)ccc1NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 864032969 LZLAPHQPBAUURX-UHFFFAOYSA-N 425.850 4.424 5 20 IIBD Cc1cc(-c2csc(NC(=O)[C@@H]3CC(=O)N(c4ccc(F)c([N+](=O)[O-])c4)C3)n2)c(C)o1 918183407 ORVRWBFIYWSBJG-GFCCVEGCSA-N 444.444 4.059 5 20 IIBD O=C(OCCOc1ccccc1[N+](=O)[O-])[C@H]1CCCN(c2nc3ccccc3s2)C1 919155841 BEWDVINJYUEGOK-HNNXBMFYSA-N 427.482 4.043 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccccc1SCc1ccccc1 921197384 MJAMHSKDWNZGSE-UHFFFAOYSA-N 435.461 4.434 5 20 IIBD O=C(N[C@@H](Cc1ccccc1)c1nnc(COc2ccccc2[N+](=O)[O-])o1)c1ccccc1 1117215232 WHYNPLFVAOTFOM-IBGZPJMESA-N 444.447 4.271 5 20 IIBD O=C(NCc1ccc(NC(=O)C2CC2)cc1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 1248480364 HFAKDNOAXVMOBI-UHFFFAOYSA-N 444.491 4.485 5 20 IIBD O=C(c1cc2cc(Br)ccc2o1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1251406646 OGPLFHSQLZQOTG-UHFFFAOYSA-N 444.285 4.062 5 20 IIBD Cc1cc(NC(=O)c2ccco2)sc1-c1nnc(COc2ccccc2[N+](=O)[O-])o1 1323965046 UUZYSACPTZOENY-UHFFFAOYSA-N 426.410 4.439 5 20 IIBD COc1cscc1C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1 1785749012 XOFPIZVABQAGDO-UHFFFAOYSA-N 441.465 4.319 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)CCC1)c1cccnc1 1790621914 DZEYVCATHYWKIA-UHFFFAOYSA-N 434.427 4.190 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)c(F)c1)c1cc(F)cc([N+](=O)[O-])c1 1800336791 OLVZOWIEULJDJQ-MUJYYYPQSA-N 449.841 4.092 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc([C@H]2CCCCN2C(=O)CCC2CCC2)[nH]n1 1814372967 IZFCLYAMPSNISV-HXUWFJFHSA-N 439.516 4.133 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccsc2)[nH]n1)c1ccc([N+](=O)[O-])cc1F 1821050842 AXEGWWABDJSTEN-QGZVFWFLSA-N 443.460 4.138 5 20 IIBD CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 1824160997 GVPBMQFIDABJMU-LJQANCHMSA-N 449.979 4.457 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC([C@H]2CCCCN2C(=O)c2cccs2)CC1 1825779203 RJVNKQDEYPGEQC-LJQANCHMSA-N 445.516 4.343 5 20 IIBD CC(C)CCC(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])sc2C1 1828258792 SZUAIGIOKDDCHL-RCLKMUNOSA-N 442.541 4.113 5 20 IIBD CCN(CC)CCn1c(NC(=O)CSc2ccc([N+](=O)[O-])cc2)nc2ccccc21 14651363 VZCPVNQDOMMRRS-UHFFFAOYSA-N 427.530 4.017 5 20 IIBD C[C@H](OC(=O)COc1ccc2oc3ccccc3c2c1)C(=O)Nc1ccccc1[N+](=O)[O-] 17521048 VENHVUDPPYZATE-AWEZNQCLSA-N 434.404 4.443 5 20 IIBD Cc1ccc(-c2cc(NC(=O)COc3cccnc3[N+](=O)[O-])n(-c3ccccc3)n2)cc1 18532534 OKSLGJQBTQSGQH-UHFFFAOYSA-N 429.436 4.168 5 20 IIBD COc1ccccc1C(=O)Nc1ccc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 20821018 RBEJMBMSQVZEAR-UHFFFAOYSA-N 436.420 4.301 5 20 IIBD C[C@@H](Sc1nc2ccccc2c2nc3ccccc3n12)C(=O)Nc1ccc(C(N)=O)cc1 21228117 GPTSIFQJCGCWRD-CQSZACIVSA-N 441.516 4.254 5 20 IIBD C[C@@H](Sc1nnc(-c2ccncc2)n1-c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] 21740341 MWZCJEUXDSTBBO-OAHLLOKOSA-N 446.492 4.357 5 20 IIBD O=C(CSc1nnc(Nc2ccccc2F)s1)N1CCc2ccc([N+](=O)[O-])cc21 23210207 GBZLHTDZIJCBAK-UHFFFAOYSA-N 431.474 4.010 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCSc1nnc(-c2cccc(Cl)c2)o1 26408559 JNOGPVAEWNVFJF-UHFFFAOYSA-N 434.861 4.428 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(NC(=O)NCc2ccco2)cc1 27982847 WJZOHKSYKZERNX-UHFFFAOYSA-N 426.454 4.240 5 20 IIBD O=C(NCc1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 62048053 LZIGNMUNPQBVJT-UHFFFAOYSA-N 439.855 4.082 5 20 IIBD CNC(=O)c1ccc(NCc2ccc(-n3nc(C)cc3C)cc2C(F)(F)F)c([N+](=O)[O-])c1 63267329 NTZGKIXNKZBXIR-UHFFFAOYSA-N 447.417 4.388 5 20 IIBD COc1ccc(COc2cccc(F)c2)cc1NC(=O)COc1ccccc1[N+](=O)[O-] 63613703 UZEIOJGKSWAQQF-UHFFFAOYSA-N 426.400 4.339 5 20 IIBD Cc1cc(NC(=O)c2nn(-c3ccccc3C)c3c2CCC3)n(-c2ccc([N+](=O)[O-])cc2)n1 109185487 HABVOOCOZBIHTL-UHFFFAOYSA-N 442.479 4.324 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NCCc1coc(-c2ccccc2)n1 110024783 SJQQDSHNVNRSKH-UHFFFAOYSA-N 441.387 4.198 5 20 IIBD C[C@H](CNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)CN1CCN(C)CC1 237577640 YYKYVEAFQVZVFQ-QGZVFWFLSA-N 432.952 4.014 5 20 IIBD CN1CCO[C@@H]([C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)c2ccc(Cl)cc2)C1 301971906 GVEOLMMLNBLZCN-MSOLQXFVSA-N 427.835 4.333 5 20 IIBD Cc1cc(C)c2c(c1)N(S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])CCC2 303219791 UZKVEJRYXQLOAV-UHFFFAOYSA-N 425.304 4.116 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2F)cc1[N+](=O)[O-] 303431287 WXLGHLDVCHKDEU-SFHVURJKSA-N 431.489 4.185 5 20 IIBD O=C(CSCc1cccc(OC(F)F)c1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 426557381 DWRJMCPEGBYSOL-UHFFFAOYSA-N 440.424 4.229 5 20 IIBD Cc1c(NC(=O)C(=O)NCc2cccc3ccccc23)cc(Br)cc1[N+](=O)[O-] 430297385 AOLCEJMLTYTHFJ-UHFFFAOYSA-N 442.269 4.074 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O 430487554 XQUZKWWNVMMPIS-GJULWVSJSA-N 432.517 4.105 5 20 IIBD C[C@H]1C[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCN1Cc1ccccc1 430654260 PZRTYFLMMHCNQA-WMLDXEAASA-N 432.318 4.140 5 20 IIBD Cc1nc2ccccc2n1CCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 435836697 QNFDRKUSEQHHLH-UHFFFAOYSA-N 432.430 4.048 5 20 IIBD CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1 435838353 YFMMWOLVZZSWHD-UHFFFAOYSA-N 449.532 4.010 5 20 IIBD CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1C 436312570 NMANAYZCUODWTC-UHFFFAOYSA-N 449.532 4.394 5 20 IIBD O=C(NC[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1 437044156 WULAIKCUCASGDC-KRWDZBQOSA-N 435.402 4.038 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N(Cc2ccccc2F)C2CC2)cc1[N+](=O)[O-] 439242333 AYUUIBHACYVGPZ-UHFFFAOYSA-N 443.294 4.158 5 20 IIBD C[C@H](CCC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1 441293039 VKWQWNKSFMEAAE-CQSZACIVSA-N 445.522 4.407 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 441531962 DDCRQDAPSJONGR-HNNXBMFYSA-N 441.296 4.304 5 20 IIBD COc1cccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 443867429 JEBYIBYAPOAWGT-KRWDZBQOSA-N 438.402 4.444 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@@H](c3nccn3C)C2)cc1 444663887 PTQMVUAUIYWJBE-MRXNPFEDSA-N 436.468 4.149 5 20 IIBD CCCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 447041100 VCZMOUNWYLRHGS-UHFFFAOYSA-N 431.283 4.097 5 20 IIBD CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 460872942 JSDOANWNINDYEN-HXUWFJFHSA-N 446.345 4.195 5 20 IIBD CCOc1cc(C(=O)NCCc2nc(-c3ccccc3)c(C)s2)c([N+](=O)[O-])cc1OC 461474599 POEMFPXOGQDDDD-UHFFFAOYSA-N 441.509 4.407 5 20 IIBD O=C1Nc2cc(Cl)ccc2S[C@H]1CC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 461711897 ZABQFTIZCDHCBM-QFBILLFUSA-N 449.941 4.325 5 20 IIBD COc1ccc(CSCC(=O)NC[C@@H]2CCCO[C@H]2c2ccc(C)cc2)cc1[N+](=O)[O-] 464716818 ZHTUVCMZYJICMV-CVDCTZTESA-N 444.553 4.429 5 20 IIBD C[C@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1Cc1ccccc1 464891568 JVUXVBIJTVCNFX-KRWDZBQOSA-N 436.537 4.455 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl 468219574 SPMKTUORKKXRJU-XLKFXECMSA-N 432.283 4.151 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2nnc(C3CC3)n2C2CC2)cc1 468312900 XSSZKZBKRQTRHQ-UHFFFAOYSA-N 449.467 4.130 5 20 IIBD Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 470770960 DKQJDXCJVQZZLM-HKUYNNGSSA-N 438.402 4.494 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ncccc2OCc2cccc(Cl)c2)cc([N+](=O)[O-])c1 471547289 HZAYUTLEOOUWAN-UHFFFAOYSA-N 441.827 4.261 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c(C)cc1C 472831876 QLXOLZLYNQLZTD-UHFFFAOYSA-N 426.347 4.192 5 20 IIBD COc1cccc(C=C2CCN([C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)CC2)c1 473009641 NSPOLPYAKDTNRD-INIZCTEOSA-N 425.485 4.118 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NCc1cccc([N+](=O)[O-])c1C 479727209 ZCRRXFZUXSHNDE-FZKQIMNGSA-N 436.306 4.241 5 20 IIBD CCOc1cc(CNCC=C(C)C)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 480288752 SRGJYKDOHZBOAK-UHFFFAOYSA-N 428.485 4.495 5 20 IIBD CCOc1ccc(NC(=O)CNc2cc(NC(=O)C(C)(C)C)ccc2C)c([N+](=O)[O-])c1 480999729 PKNZQTGUMXOAAH-UHFFFAOYSA-N 428.489 4.337 5 20 IIBD CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)c2ccccc12 481920426 JASGVILCHLCZJK-UHFFFAOYSA-N 436.449 4.055 5 20 IIBD COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 486154139 GCDYOUYGGCJVLQ-VIFPVBQESA-N 427.276 4.023 5 20 IIBD C[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 487299407 OTGGGQAXERKKBO-FUHWJXTLSA-N 431.920 4.044 5 20 IIBD CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)ccc1Cl 489200447 XBMJTZXZCKKOTE-UHFFFAOYSA-N 426.860 4.491 5 20 IIBD CCn1c(SCC(=O)Nc2cc(Cl)ccc2F)nnc1-c1ccc([N+](=O)[O-])cc1 489417313 YJUHQSVYZPKCPO-UHFFFAOYSA-N 435.868 4.397 5 20 IIBD CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1 491919902 FNTUMXZEDAVMJR-UHFFFAOYSA-N 445.497 4.241 5 20 IIBD COc1c(S(=O)(=O)N(C)[C@H](C)c2cccs2)cc(Br)c(C)c1[N+](=O)[O-] 493442247 KLOTVRWHTPPODC-SNVBAGLBSA-N 449.348 4.118 5 20 IIBD O=C(NCCSCc1cccc2ccccc12)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 494341479 YTAOLCDAXJFEMX-UHFFFAOYSA-N 439.541 4.224 5 20 IIBD CCOc1ccc([C@@H](Nc2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])c2ccccc2)cc1 498841457 WUFSALAHMYKEGX-QFIPXVFZSA-N 441.509 4.103 5 20 IIBD C[C@H](NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(Oc2ccccc2)cc1 499703583 JKHVRTXZJCZZAV-HNNXBMFYSA-N 433.420 4.172 5 20 IIBD COc1ccc(CN(CC2CC2)C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c(OC)c1 501692534 ITAJEGIQCOLXCN-UHFFFAOYSA-N 430.476 4.468 5 20 IIBD CC(C)CCSc1ccc(C(=O)Nc2cccc(OCC(=O)N(C)C)c2)cc1[N+](=O)[O-] 501889901 TZWXCRKGKJXBOO-UHFFFAOYSA-N 445.541 4.452 5 20 IIBD Cn1cnc(-c2ccc(Br)cc2)c1NC(=O)Cc1ccc([N+](=O)[O-])cc1F 508398899 OATRFGWHSAIXSN-UHFFFAOYSA-N 433.237 4.078 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCC(N(C)c3ccccc3)CC2)cc1[N+](=O)[O-] 510009730 LJWDMCYXJNYDRY-UHFFFAOYSA-N 432.318 4.407 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)cc1 510456443 DXMUHLQTPGPUMQ-MSOLQXFVSA-N 428.432 4.369 5 20 IIBD CN(C)[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1Cl 510835767 GCUFVMFRPABGTR-OAHLLOKOSA-N 428.823 4.274 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cc(-c3cc(Cl)ccc3OC)[nH]n2)cc([N+](=O)[O-])c1 512848647 HUXVKRBKEOEQLC-UHFFFAOYSA-N 444.831 4.076 5 20 IIBD COc1ccc(CN(C)C)cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 515030447 HJFLCZAQAHWZGV-UHFFFAOYSA-N 426.517 4.154 5 20 IIBD COc1cc(CN2CC[C@@]3(CCc4ccccc4O3)C2)c([N+](=O)[O-])cc1OCC(F)F 517440297 OVRAYTNIAIQBET-QFIPXVFZSA-N 434.439 4.217 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCC(c4nncn4C(C)C)CC3)cc2[N+](=O)[O-])CC1 518951195 IBBNFIXBZUUXTA-UHFFFAOYSA-N 440.548 4.023 5 20 IIBD COc1ccc(CNCc2ccc(OCc3cn4cccc(C)c4n3)cc2)cc1[N+](=O)[O-] 520214390 AWFXWPMSYBFGDF-UHFFFAOYSA-N 432.480 4.428 5 20 IIBD COc1ccc(CC[C@H]2CCCCN2C(=O)COc2ccccc2[N+](=O)[O-])cc1OC 523846683 RTQWWHOIZGFBNT-GOSISDBHSA-N 428.485 4.005 5 20 IIBD O=C(Nc1cccnc1)c1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)cc1Cl 524166477 JEAQAVRDFYRMEO-UHFFFAOYSA-N 436.815 4.024 5 20 IIBD CCCN(C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1)[C@@H]1CCCN(Cc2ccccc2)C1 525551596 XNKZQSBVUMYIMX-HXUWFJFHSA-N 441.528 4.129 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@H](c1ccncc1)c1ccc(Cl)cc1 531142240 HIIRNYKWVJJHPL-FQEVSTJZSA-N 431.901 4.362 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC[C@H]3[C@@H](O)C(F)(F)F)cc2[N+](=O)[O-])n1 533017784 HWHIGFZSSWZDEC-SMDDNHRTSA-N 447.460 4.039 5 20 IIBD COc1cc(CN2CCOC[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OCC(F)(F)F 537648767 IXXRJFCJDFMJFO-KRWDZBQOSA-N 426.391 4.118 5 20 IIBD CC(C)[C@H]1C[C@@H](NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 539030996 IIVUDKKESQCWBS-NZQKXSOJSA-N 448.523 4.310 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 539794181 KPRCYAIWAMNJST-CYBMUJFWSA-N 433.295 4.321 5 20 IIBD C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 539800780 LCICVUZMSYTJAN-JTQLQIEISA-N 444.702 4.032 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CCO[C@@]4(CCOC4)C3)o2)c(Br)c1 539979793 SFGOONAXZOSZOJ-YJYMSZOUSA-N 437.290 4.045 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCC(O)(C(F)(F)F)CC1 540355960 DSXPLTCOJBKICJ-UHFFFAOYSA-N 425.363 4.308 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(Cc2nc(C)c(C)o2)CC1 540772648 LOHIADGRWWQLEA-UHFFFAOYSA-N 432.546 4.050 5 20 IIBD CCc1ccc([C@H](NCc2ccc(C(=O)N3CCOCC3)cc2)c2ccc([N+](=O)[O-])cc2)o1 541549648 VPWJBUMAJWUHIX-XMMPIXPASA-N 449.507 4.102 5 20 IIBD Cc1cc(Cc2noc(-c3cnc4c(cnn4Cc4ccccc4)c3)n2)ccc1[N+](=O)[O-] 545143951 DHWHAIDQQSTQGM-UHFFFAOYSA-N 426.436 4.337 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(-c3nc(-c4cccnc4OCC(F)F)no3)cs2)c1 545844437 LKLLBYGDJSARMI-UHFFFAOYSA-N 431.380 4.474 5 20 IIBD Cc1ccc(S(=O)(=O)Cc2noc([C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 546238292 QGVREKSQXUKUPF-GFCCVEGCSA-N 437.861 4.054 5 20 IIBD COc1cc(CN(C)C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)ccc1OC(F)F 546535574 KBHNTKSRIPVRIS-UHFFFAOYSA-N 426.391 4.280 5 20 IIBD C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](c1cncc(Br)c1)C1CC1 551812843 OBKUWFFGRLUDLB-BUXKBTBVSA-N 433.306 4.210 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(N2CCCCCC2)cc1C 553294923 WEVZRLYMELWHRI-SFHVURJKSA-N 428.537 4.155 5 20 IIBD Cc1cc(C)c(Cn2cc(Br)c(=O)c([N+](=O)[O-])c2)c(OCc2ccccc2)n1 553431819 BYTZGOHHIRVJQA-UHFFFAOYSA-N 444.285 4.158 5 20 IIBD O=[N+]([O-])c1cc2c(Sc3nnc(-c4ccccn4)n3Cc3ccco3)ncnc2s1 553482701 KYVSKENSHUSZEK-UHFFFAOYSA-N 437.466 4.046 5 20 IIBD C[C@H](C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1cccc([N+](=O)[O-])c1 559337314 YZQYCEYYXFCROQ-LBPRGKRZSA-N 442.825 4.114 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccc(-c2ccc(OC)cc2)s1 562132980 ZNVQFBLAVGQCMN-UHFFFAOYSA-N 439.493 4.149 5 20 IIBD CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 572625641 QQTUKZNGANDCNI-IOMROCGXSA-N 427.476 4.263 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCn3c(C4CCCC4)nnc3[C@@H]2C)cc1[N+](=O)[O-] 573874640 GLGLHNSJJQVYEZ-LBPRGKRZSA-N 448.321 4.132 5 20 IIBD COc1cc(Cc2noc(-c3ccnc(Oc4ccccc4)c3)n2)c([N+](=O)[O-])c(OC)c1 578841495 JTDBTCULQAWPBC-UHFFFAOYSA-N 434.408 4.440 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCOc2c(-c3ccccc3)cccc21 579414945 ZQYHDJXBHMYZTN-OAQYLSRUSA-N 445.475 4.403 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 603501240 CRNNWYLBGYQQTB-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD O=C(Nc1cccc(Cl)c1)c1ccccc1NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 603778844 NYQZFWIILNPQAI-UHFFFAOYSA-N 447.856 4.007 5 20 IIBD CC(=O)N(C)c1ccc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 604478836 CLLZUTHIDSVTBA-OAHLLOKOSA-N 433.468 4.398 5 20 IIBD O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 604518951 PMIMAAFVCAGBLV-SFHVURJKSA-N 436.537 4.360 5 20 IIBD O=c1c(Cl)c(NCCc2ccccc2C(F)(F)F)cnn1-c1ccc([N+](=O)[O-])cc1 608830811 KOZXMMXAGARFGE-UHFFFAOYSA-N 438.793 4.468 5 20 IIBD COc1cc(C(=O)Nc2ccc(Sc3ncccn3)cc2C)c([N+](=O)[O-])cc1OC 608895487 MJEMQQXMNNIMDE-UHFFFAOYSA-N 426.454 4.114 5 20 IIBD COc1cc(C(=O)NCCC(=O)NC(C)(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 609072853 AOPSSATYJPRXHR-UHFFFAOYSA-N 449.891 4.084 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Nc2cccc3c2CN(CCC(C)C)C3)c([N+](=O)[O-])c1 609076157 NBOBLYYGSGGFBD-MRXNPFEDSA-N 426.517 4.404 5 20 IIBD COc1ccccc1[C@@H]1CCCCN1C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 609262976 DEKVNHAWQNUTRN-SFHVURJKSA-N 439.468 4.045 5 20 IIBD CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCc1cccc(NC(=O)c2ccccn2)c1 610129661 ZOZKMNAQQFKQNU-UHFFFAOYSA-N 438.415 4.170 5 20 IIBD CC(C)CCSc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2S(C)(=O)=O)cc1[N+](=O)[O-] 610177612 BYXSKQHFIMNHFL-QFBILLFUSA-N 442.603 4.161 5 20 IIBD O=[N+]([O-])c1nn(Cc2ncc(-c3ccccc3Br)o2)cc1Br 610217899 MXWPOHCLVPYKHP-UHFFFAOYSA-N 428.040 4.020 5 20 IIBD COc1ccc(NC(=O)CNc2cc(Br)c(F)cc2Cl)c([N+](=O)[O-])c1 610577426 LDVPGLLHEHRQOE-UHFFFAOYSA-N 432.633 4.209 5 20 IIBD Cn1ccnc1[C@H](NCc1cccc(OCc2ccccn2)c1)c1ccc([N+](=O)[O-])cc1 611560328 MAWWOJOBFHMMCL-HSZRJFAPSA-N 429.480 4.182 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCOc2c(Br)cccc2C1 619284288 IFVHTVRLPSLDPB-GFCCVEGCSA-N 445.273 4.363 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(NC(=O)OC(C)(C)C)nc1 727339408 RFLADWZSANPLJE-NSHDSACASA-N 436.852 4.396 5 20 IIBD C[C@@H](C(=O)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1F 731340020 LFUDXBABECRWNC-SJLPKXTDSA-N 428.460 4.466 5 20 IIBD CCN1C(=S)N[C@@H](c2cc([N+](=O)[O-])c(F)cc2F)C(C(=O)Nc2ccccc2C)=C1C 731422183 URQPCAVZYNIMGF-IBGZPJMESA-N 446.479 4.345 5 20 IIBD CCN(C)[C@H](C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 731598275 DHQJVUYDXOWBHF-QFIPXVFZSA-N 433.464 4.446 5 20 IIBD Cc1ccc(-c2noc(-c3cc([N+](=O)[O-])ccc3I)n2)cc1F 731792681 WRQJWAXVOPHDDB-UHFFFAOYSA-N 425.157 4.364 5 20 IIBD CN(CCc1ccccc1)C(=O)c1ccccc1N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 731881375 BTBCKFHPZDUIAU-UHFFFAOYSA-N 431.492 4.115 5 20 IIBD COc1ccc(CSCC(=O)N2[C@@H](C)[C@H](c3ccccc3)OC[C@H]2C)cc1[N+](=O)[O-] 732022529 OGLGKHXKJIEGIM-ZMPRRUGASA-N 430.526 4.214 5 20 IIBD CN(Cc1ncc[nH]1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 732092804 DFDSDOLYGIATHS-UHFFFAOYSA-N 433.512 4.049 5 20 IIBD COc1ccc([C@H](OC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)[C@H](C)n2cccn2)cc1 734084384 QNTBESBIAJMWTO-KSFYIVLOSA-N 447.451 4.145 5 20 IIBD O=C(CCc1ccc(-c2ccccc2)o1)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 735333652 FJGSZRQWTBRQHU-UHFFFAOYSA-N 436.420 4.329 5 20 IIBD O=C(O[C@@H]1CCN(CC(F)(F)F)C1=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 735704015 OFRFRPNUZXFIPB-OAHLLOKOSA-N 440.399 4.066 5 20 IIBD Cc1cc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)ccc1OC1CCOCC1 737728705 OUBKQQRTWHRXAH-UHFFFAOYSA-N 435.274 4.476 5 20 IIBD Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1Br 740423227 QJMIRWWAXCJSOI-QWHCGFSZSA-N 435.274 4.088 5 20 IIBD Cc1c(C(=O)N2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)sc2ccccc12 741200603 NLEHGTOTSUXVHJ-UHFFFAOYSA-N 443.912 4.370 5 20 IIBD O=C(NC1CCN(CC2CCCCC2)CC1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 744030123 WVUTULNBLXNFMA-UHFFFAOYSA-N 428.577 4.360 5 20 IIBD O=C(OC1CCN(c2ccc(Cl)cn2)CC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 744150541 DNTLTMSHAXSEOZ-UHFFFAOYSA-N 429.782 4.488 5 20 IIBD C[C@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)s1 745642431 IGGFTKMFWOZFJI-QMMMGPOBSA-N 447.694 4.358 5 20 IIBD Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)ccc1N1CCCC1 746598133 RHTJLEZRIPKVIV-UHFFFAOYSA-N 429.420 4.323 5 20 IIBD O=C(Cn1cc(C(=O)OCc2nc3ccccc3c3ccccc23)cn1)NC1CCCCC1 747017774 AUUPKRHQAPDFAV-UHFFFAOYSA-N 442.519 4.390 5 20 IIBD CC(C)(C)OC(=O)NCC1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 748795129 UPARBRBXARBDLX-UHFFFAOYSA-N 448.398 4.263 5 20 IIBD Cc1nn(CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)c2ncc([N+](=O)[O-])cc12 749947402 RZNIEWUVIVMQLE-UHFFFAOYSA-N 426.864 4.280 5 20 IIBD O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1cc(-c2ccccc2Cl)on1 750427112 LYAHLXACYZMZFF-UHFFFAOYSA-N 442.859 4.372 5 20 IIBD O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 751651503 ILXXELJYZLUTGR-UHFFFAOYSA-N 440.362 4.046 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N2CCCC[C@H]2c2nc3ccccc3n2C)cc1[N+](=O)[O-] 752236816 ZFYDONGGVLERMP-KRWDZBQOSA-N 448.932 4.359 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)cc1[N+](=O)[O-] 752251661 QSZHUEKHKBAHKD-HNNXBMFYSA-N 437.949 4.061 5 20 IIBD O=C(CCN1CCC([C@@H](O)c2ccc(Cl)cc2)CC1)Nc1cc([N+](=O)[O-])ccc1F 753920441 BLDBTFVJORADSI-NRFANRHFSA-N 435.883 4.162 5 20 IIBD Cc1noc(C)c1[C@@H](C)CC(=O)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C 754262976 WHPMOGXUFRXYSW-ZDUSSCGKSA-N 427.461 4.180 5 20 IIBD CC[C@@H]1CN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@H]1NC(=O)OC(C)(C)C 756956369 VDICBHGTYGZYRW-VQIMIIECSA-N 441.532 4.490 5 20 IIBD C[C@@H](c1cc2ccccc2o1)N(C)C(=O)COC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 758736916 CJIDBDVVTYUEPU-AWEZNQCLSA-N 435.436 4.128 5 20 IIBD C[C@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C(=O)NC12CC3CC(CC(C3)C1)C2 762991785 WUAGHSAPOGBEQY-HDDXYUSQSA-N 432.492 4.028 5 20 IIBD Cn1ncc(C(=O)OCc2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)c1Br 765078612 NLJZERCXMMJAJH-UHFFFAOYSA-N 432.230 4.240 5 20 IIBD CC(=O)c1ccc(N2CCN(Cc3c(Br)cccc3[N+](=O)[O-])CC2)c(F)c1 768218441 OFQFRRWUXAOVEB-UHFFFAOYSA-N 436.281 4.021 5 20 IIBD O=Cc1ccc(OCC(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)c([N+](=O)[O-])c1 769596150 AFFLBQWVOKJHLT-UHFFFAOYSA-N 431.448 4.039 5 20 IIBD Cc1csc(SCc2ccc(C(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)cc2)n1 769624399 RGEMPLGWKPZZRN-UHFFFAOYSA-N 439.522 4.458 5 20 IIBD CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 771768090 ONAVRLVXIMSQQM-UHFFFAOYSA-N 432.399 4.135 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)C(C)(C)c1cccc(Cl)c1F 772478180 LJFLPYZQZVEYDU-LLVKDONJSA-N 438.839 4.244 5 20 IIBD COCc1ccc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 772558703 KTPVCJLAOKFKGM-UHFFFAOYSA-N 438.406 4.114 5 20 IIBD COC(=O)[C@@H]1CCC[C@@H](C(=O)O[C@@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])C1 774367218 FQWYPZHRVXBZCY-FMKPAKJESA-N 442.306 4.068 5 20 IIBD C[C@H]1C[C@H](C(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)CCC1=O 775466353 BACXGSWRADRKOZ-QWHCGFSZSA-N 430.844 4.411 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(SC(C)(C)C)cc2)cc1[N+](=O)[O-] 777622712 HOYSTXYILGXERG-UHFFFAOYSA-N 439.515 4.465 5 20 IIBD C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCOC1 781029663 RPLFBFOKHCNMMM-KGLIPLIRSA-N 431.876 4.045 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)COC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1C 781267425 HPHUVCOKFUMRHB-QGZVFWFLSA-N 428.488 4.332 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 781360092 QJEHIYILAQWEQH-SFHVURJKSA-N 449.551 4.061 5 20 IIBD CC(C)S[C@H]1CCCC[C@@H]1OC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 781493526 OXMTVZORIFOIKP-RDJZCZTQSA-N 436.559 4.484 5 20 IIBD Cc1cc(Br)cc(Cl)c1NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781617496 CYRKRBJROZGFEJ-HNNXBMFYSA-N 438.665 4.451 5 20 IIBD Cc1ccc2nc([C@@H]3CCCN(C(=O)CCc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])C3)[nH]c2c1 782017755 CDSHLTQCJYRCNY-MRXNPFEDSA-N 437.456 4.027 5 20 IIBD CCCc1c(C(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)cnn1C1CCCC1 784859571 WBJMQFQFYYTBEB-UHFFFAOYSA-N 441.532 4.327 5 20 IIBD CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl 788215140 PMCHNLBDFUDFNQ-KRWDZBQOSA-N 442.903 4.101 5 20 IIBD CCOC(=O)Cn1ccc2cc(NC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])ccc21 790551578 NCFCHGKMPNUYBS-UHFFFAOYSA-N 433.823 4.086 5 20 IIBD COc1cc(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccsc2)cc([N+](=O)[O-])c1C 790762907 COEUBIJVCINZAV-FQEVSTJZSA-N 426.494 4.349 5 20 IIBD COc1cc(COC(=O)[C@@H](C)Oc2cccc(Cl)c2)c([N+](=O)[O-])cc1OC(F)F 791387540 VOWJNVSDMTWEGK-SNVBAGLBSA-N 431.775 4.369 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cnn(-c2ccccc2)c1C(F)(F)F 791676642 PQVKUOSJDFOVNF-UHFFFAOYSA-N 436.302 4.065 5 20 IIBD COC(=O)c1cc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)c(C)c([N+](=O)[O-])c1 792686605 ZWRGEQOPCJVUPY-UHFFFAOYSA-N 429.376 4.397 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)OCc1csc(-c2ccc(O)c(OC)c2)n1 795711141 CIBLACSHBNJPLW-UHFFFAOYSA-N 430.438 4.188 5 20 IIBD CC(C)O[C@H](C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccccc1 796418653 OCJWJOMNIGVYBD-SFHVURJKSA-N 440.374 4.262 5 20 IIBD COc1cc(N2CCC(OC(=O)c3cnc4c(F)cccc4c3)CC2)ccc1[N+](=O)[O-] 796909803 RSCUDXNRPROABT-UHFFFAOYSA-N 425.416 4.117 5 20 IIBD C[C@H](OC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccc(SCC(=O)N(C)C)cc1 809074548 PYORFCIXGFSBQJ-KBPBESRZSA-N 434.489 4.322 5 20 IIBD O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccnc(OCC(F)(F)F)c1 811216058 DVJUJPYWODJYRB-UHFFFAOYSA-N 439.371 4.411 5 20 IIBD Cc1nc2cc(F)c(F)cc2n1CC(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811217950 IGCDTLTVQCNJPD-UHFFFAOYSA-N 444.419 4.398 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccc(F)cc1 811374494 IGAFZZCEICRBCJ-VHSXEESVSA-N 429.231 4.463 5 20 IIBD COC(=O)c1cc(Br)cc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 812455750 QXZCCZDQYDOHNB-UHFFFAOYSA-N 441.665 4.070 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC[C@H]21 814152380 MCYIOHDIFMGMJV-MLGOLLRUSA-N 443.422 4.085 5 20 IIBD Cc1nn(Cc2ccc(C(=O)n3ccccc3=NC3CCCCC3)cc2)c(C)c1[N+](=O)[O-] 814472682 LRUVSYHVPBDVTG-UHFFFAOYSA-N 433.512 4.180 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 820001933 FSXNGEFBEGJGJB-UHFFFAOYSA-N 441.465 4.047 5 20 IIBD CCCCCCC(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 827337878 FIUGYIGNRMVWCY-VBKFSLOCSA-N 439.921 4.371 5 20 IIBD Cc1c(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cnn1-c1ccc(F)cc1 914628013 JMSYWKMLUVQQGW-LBPRGKRZSA-N 446.822 4.065 5 20 IIBD CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccc(C(F)(F)F)cc2)NC(=S)N1 916190906 FMILVWNQCHLJHF-MRXNPFEDSA-N 436.415 4.045 5 20 IIBD O=C(OCc1nc(-c2ccc(F)cc2)no1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 916491589 BVCDYZQNTRGJPM-UHFFFAOYSA-N 426.404 4.131 5 20 IIBD CCOc1ccc([C@@H]2CCCN2C(=O)CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 917074725 LPNXVLUNSWDANR-NRFANRHFSA-N 431.920 4.442 5 20 IIBD CCCCN1C(=O)C[C@@H](C(=O)OCc2cc(F)ccc2[N+](=O)[O-])[C@H]1c1ccc(OC)cc1 918997577 DDTZJHXPVMDUNZ-DENIHFKCSA-N 444.459 4.176 5 20 IIBD C[C@H](OC(=O)c1ccc(Br)cc1Cl)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 919493365 ITTVGSVRMJIJGD-QMMMGPOBSA-N 445.628 4.334 5 20 IIBD Cc1c(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 920006523 LIUHLFYBDVLVQT-UHFFFAOYSA-N 426.429 4.126 5 20 IIBD CCOc1cc(NC(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OCC 920046474 KZCTUMJIPIVGMP-HNNXBMFYSA-N 446.479 4.179 5 20 IIBD C[C@H](OC(=O)c1cccc(COc2cccc(C=O)c2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 1116005646 LOUGYFPTCPFJQW-INIZCTEOSA-N 448.431 4.170 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(-c2csc(CNC(=O)OC(C)(C)C)n2)n1 1321123832 MKVDGPYLNPQRIW-UHFFFAOYSA-N 431.474 4.410 5 20 IIBD CC1CCN(c2ccc(C(=O)NCCc3coc(-c4ccccc4)n3)cc2[N+](=O)[O-])CC1 1321425285 UJEWCDUDKBNXLK-UHFFFAOYSA-N 434.496 4.459 5 20 IIBD C[C@@H]1CCc2sc(-c3nnc(-c4cccc([N+](=O)[O-])c4N4CCOCC4)o3)cc2C1 1327885216 PGSQDKBRSBEACC-CYBMUJFWSA-N 426.498 4.335 5 20 IIBD C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1N)c1nc(C(C)(C)C)cs1 1344705831 GKBFUWCVLKDSOD-QMMMGPOBSA-N 427.324 4.185 5 20 IIBD Cn1cccc1C(=O)NC1(c2ccc(NC(=O)c3cccc(F)c3[N+](=O)[O-])cc2)CCC1 1790697951 DEZCJADECHXQQR-UHFFFAOYSA-N 436.443 4.134 5 20 IIBD Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccccc2)cc(Cl)cc1[N+](=O)[O-] 1799515626 CBTPGKUJFVXTRF-BCDXTJNWSA-N 427.888 4.122 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/C1CCCCC1 1800123174 HUHSGFYIJYUUKI-JNYVGJRZSA-N 443.519 4.431 5 20 IIBD Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)c1 1800711191 AEQMGEMUTZEYDP-REPLKXPHSA-N 441.915 4.431 5 20 IIBD Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)s1 1823611385 HEJLUSVDFZKPQD-INIZCTEOSA-N 431.514 4.105 5 20 IIBD C[C@H](C(=O)N1CC2(CCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])C1)c1ccc(Cl)cc1 1845404587 QEVOYWNSKLUAPB-AWEZNQCLSA-N 445.878 4.008 5 20 IIBD CNc1ccc(C(=O)OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1[N+](=O)[O-] 9924553 AOBXSTYBMJNPDE-UHFFFAOYSA-N 432.647 4.392 5 20 IIBD O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 10965752 PXLJLLVAQVFYIK-UHFFFAOYSA-N 444.831 4.031 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCCCc1nc2ccccc2[nH]1 11486307 PQJRPCLSOGPLRA-UHFFFAOYSA-N 435.406 4.041 5 20 IIBD Cc1cccc(-c2nc(CC(=O)OCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cs2)c1 17229541 NDQKJFIWXSXRGJ-UHFFFAOYSA-N 445.884 4.405 5 20 IIBD COc1ccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1[N+](=O)[O-] 18157453 XSIUBQVBNZMXQZ-UHFFFAOYSA-N 428.448 4.386 5 20 IIBD CC[C@H](Nc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-])c1ccc(OC)cc1 20669563 TZCWMXZCIASPCB-IBGZPJMESA-N 433.530 4.341 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(-c2cc(C)cc(C)c2)o1 22236768 SKKIAOBQBTWKPL-ZDUSSCGKSA-N 428.470 4.390 5 20 IIBD O=C(OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1sc2cc(F)ccc2c1Cl 22932024 DGHWWHLEHALGMY-UHFFFAOYSA-N 434.832 4.348 5 20 IIBD O=C(c1cc(Cl)nc(Cl)c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 25378316 LUFOEIYDHWOMNT-UHFFFAOYSA-N 449.216 4.278 5 20 IIBD O=C(NCCNc1ccccc1[N+](=O)[O-])c1cc([N+](=O)[O-])ccc1Sc1ccccc1 26191074 WBAQZQIEKODNEQ-UHFFFAOYSA-N 438.465 4.496 5 20 IIBD CCCCn1c(S[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)n[nH]c1=O 26258594 MZDDHWPZXSXLOW-SFHVURJKSA-N 441.513 4.060 5 20 IIBD COC(=O)c1cc(C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)cc([N+](=O)[O-])c1 28842366 TUHOCTIRWMVBSX-UHFFFAOYSA-N 441.343 4.142 5 20 IIBD COCCCn1c(SCCOc2ccccc2[N+](=O)[O-])nc2cc(Cl)ccc2c1=O 59407688 WIOMZEJUANMBIP-UHFFFAOYSA-N 449.916 4.166 5 20 IIBD Cc1ccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c(OCc2ccccc2)c1 59784663 OFGMEAPKLCPDDI-UHFFFAOYSA-N 429.436 4.315 5 20 IIBD Cc1c(NC(=O)CCN2CCO[C@H](c3cccc(Br)c3)C2)cccc1[N+](=O)[O-] 109818466 RNZIZDBRQILNIA-IBGZPJMESA-N 448.317 4.068 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@H](C)c2oc3ccccc3c2C)ccc1[N+](=O)[O-] 110321479 PQKBGTPEVVIUEV-UZLBHIALSA-N 435.480 4.440 5 20 IIBD C[C@H](c1ccccc1Br)N(C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 195733100 AZYKGZBUAICNNL-SNVBAGLBSA-N 433.711 4.392 5 20 IIBD COc1ccc(-c2nc(CN3CCN(c4cccc(F)c4[N+](=O)[O-])CC3)cs2)cc1 301093805 OTALWHPWMINDDU-UHFFFAOYSA-N 428.489 4.188 5 20 IIBD COc1cccc(C2(F)CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)CC2)c1 410238530 CQGASHBGTWFSBL-UHFFFAOYSA-N 441.503 4.307 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 426218405 DRCXIGXHDNBRNA-SJLPKXTDSA-N 441.381 4.472 5 20 IIBD CN1CCC(N(Cc2ccccc2)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 431482555 GPVLQUFYTNOSBZ-UHFFFAOYSA-N 432.318 4.094 5 20 IIBD Cc1cc(C)c(NC(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c(Br)c1 431711827 PKJXDIBULUUFPM-UHFFFAOYSA-N 448.317 4.052 5 20 IIBD CN(C(=O)[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1)c1ccccc1 432411211 WODFXQPZXXJDNZ-ZDUSSCGKSA-N 436.390 4.130 5 20 IIBD CC(C)(C(=O)Nc1ccc(Cl)c(CN2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1F 435327635 NSIOTHRJCBYVAE-UHFFFAOYSA-N 435.883 4.136 5 20 IIBD COc1ccc(-c2ccn(-c3ccc(SCCOc4ccccc4[N+](=O)[O-])nn3)n2)cc1 436237114 CDTWFBPSFYRNKD-UHFFFAOYSA-N 449.492 4.417 5 20 IIBD CN(c1ccccc1)c1ccc(CNc2ccc(C(=O)N3CCOCC3)cc2)cc1[N+](=O)[O-] 437120156 XAGOBCYGJJGNEF-UHFFFAOYSA-N 446.507 4.447 5 20 IIBD O=C(c1cnn(-c2ccc(Br)cc2)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437126567 OUPSZBLVWBHICZ-UHFFFAOYSA-N 441.285 4.348 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N2CCCc3cc(F)c(F)cc32)cc1[N+](=O)[O-] 438815504 SIDXEVPVVMXHPE-UHFFFAOYSA-N 447.257 4.085 5 20 IIBD C[C@H](NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])C(=O)NCc1ccccc1 440675909 HRKRWLHCKYVSKD-INIZCTEOSA-N 435.505 4.181 5 20 IIBD CCOc1cc(C(=O)N[C@@H](C)c2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])cc1OC 440829284 DGPNMWQVYHCWDT-NSHDSACASA-N 428.363 4.392 5 20 IIBD Cc1cccc(OC[C@H](O)CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])c1 442681045 RIDUBFSUSDLKMD-QGZVFWFLSA-N 438.505 4.224 5 20 IIBD CC(=O)c1c(C)cc(C)c(CS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c1C 443180643 KCQZHPKTGRQHDA-UHFFFAOYSA-N 440.315 4.459 5 20 IIBD COc1ccc([C@H](CN2CCCC2)NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 444286656 ILRAAHLPSKUVTL-VWLOTQADSA-N 441.531 4.257 5 20 IIBD C[C@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1cccc(O)c1 444455238 KBVUYQZKYLLPBY-ZDUSSCGKSA-N 437.418 4.413 5 20 IIBD COC(=O)c1c(NC(=O)c2sc(Br)cc2[N+](=O)[O-])sc2c1CCCC2 447182343 HTDVFJNXIUBUON-UHFFFAOYSA-N 445.316 4.398 5 20 IIBD CS(=O)(=O)c1ccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1C(F)(F)F 447562678 YWMNDDWKHSOAHV-KRWDZBQOSA-N 428.432 4.184 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(c1nnc(-c3cc4ccccc4o3)n1C[C@H]1CCOC1)CC2 461516772 KMJMJQKHDRKTNJ-MRXNPFEDSA-N 445.479 4.199 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(-c2ccccn2)n1C[C@@H]1CCCCO1 461822345 FVKSJZZNYLKNSW-FQEVSTJZSA-N 436.516 4.232 5 20 IIBD O=C1C[C@@H](Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CN1c1ccccc1F 461928478 MVJOGEAVJLEUKA-SECBINFHSA-N 434.296 4.000 5 20 IIBD O=C(N[C@@H]1CCOc2c(F)ccc(F)c21)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 463003233 RKCZWMNIPACPJN-QGZVFWFLSA-N 442.368 4.491 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 463976191 WOSKGXIKMKVPQJ-UHFFFAOYSA-N 430.892 4.245 5 20 IIBD CCOc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c2ncccc12 464329184 UHIAWXUDBYSLQF-FQEVSTJZSA-N 448.479 4.093 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[C@H](CSc2ccccc2)C1 464339881 UZECCSFYKOOZCI-SFHVURJKSA-N 425.554 4.452 5 20 IIBD COC(=O)C(C)(C)N(Cc1ccccc1)C(=O)c1sc(Br)cc1[N+](=O)[O-] 464491649 AURBVUMKSMDJIU-UHFFFAOYSA-N 441.303 4.013 5 20 IIBD O=C(COc1ccc(Cl)cc1Cl)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464632895 DYVAFKRYSFTEED-UHFFFAOYSA-N 425.268 4.350 5 20 IIBD Cc1ccc(CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)c(OC[C@@H]2CCCO2)c1 466830499 GKGIQDRSPWLAEW-FQEVSTJZSA-N 439.512 4.309 5 20 IIBD CCOc1cc(NC(=O)C(=O)N2CCC[C@@H]2c2ccccc2C)c([N+](=O)[O-])cc1OCC 466972337 ZWINSTRKWSXBLS-GOSISDBHSA-N 441.484 4.003 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC(c2c(C)[nH]c3ccccc23)CC1 468100801 CSCACQOAPUPOPQ-GOSISDBHSA-N 438.532 4.023 5 20 IIBD COc1ccccc1C(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)cc1 468322872 YGHZMVNVOPRBTB-UHFFFAOYSA-N 442.449 4.052 5 20 IIBD O=C(NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2)c1n[nH]c2ccc([N+](=O)[O-])cc12 468733197 JTPCAECEWVWKPX-AWEZNQCLSA-N 433.493 4.130 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)c1 468740589 RQAQQRFTVJTTMC-UHFFFAOYSA-N 432.274 4.154 5 20 IIBD O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 469813331 DHIVMEPWPINYFB-UHFFFAOYSA-N 441.749 4.173 5 20 IIBD Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1C(=O)N(C)C(C)C 470449498 IGXRFMFVNLAKPN-UHFFFAOYSA-N 448.317 4.327 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] 471508441 QFYGDWMJCUQNIC-RBDMOPTHSA-N 439.487 4.099 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl 472571370 STFPKLODPDYSNP-IBGZPJMESA-N 445.809 4.371 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N(Cc1ccccc1)Cc1ccc(F)cc1 472718106 XRFDMMHLYVPETK-UHFFFAOYSA-N 425.391 4.041 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 477654001 LZVJOBFVOSXBJT-UHFFFAOYSA-N 436.173 4.175 5 20 IIBD COC(=O)c1ccc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc1OC 478075300 KHTHKBVKZJKZHG-UHFFFAOYSA-N 438.386 4.007 5 20 IIBD O=C(Nc1nnc(-c2ccccc2)s1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 479961307 ROBAHGNZHOANML-UHFFFAOYSA-N 425.470 4.189 5 20 IIBD Cc1ccc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1-c1ncco1 481573888 ULPACWSGDLNXKQ-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD COc1ccccc1-c1nc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)n[nH]1 484393904 AXIOGXKHTYWYQS-UHFFFAOYSA-N 427.486 4.389 5 20 IIBD COC(=O)[C@@H](C)N(C(=O)Cc1cccc([N+](=O)[O-])c1C)c1ccc(Br)cc1C 484833523 XKKGEXXTMAUMOA-CQSZACIVSA-N 449.301 4.111 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(Cc2cccc(O)c2)CC1 486279766 IJWDUXLFNRLQTN-UHFFFAOYSA-N 429.542 4.007 5 20 IIBD O=[N+]([O-])c1ccc(OC(F)F)c(CN2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)c1 486431645 RFYMGMAWMRYCTN-QVKFZJNVSA-N 434.443 4.085 5 20 IIBD O=C(NCC1CCN(c2ccncc2)CC1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 486436832 USIKJSNKZLVHOR-UHFFFAOYSA-N 446.507 4.215 5 20 IIBD C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] 487636596 PUMKQZPYHIPVTF-JLTOFOAXSA-N 440.887 4.179 5 20 IIBD CCc1noc(-c2ccc(CCNC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc2)n1 487740079 OBOAOIMDLHRDFI-UHFFFAOYSA-N 435.484 4.124 5 20 IIBD CSc1nnnn1-c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)c1 488379482 ZJPBGNOMILZXRX-UHFFFAOYSA-N 444.542 4.293 5 20 IIBD O=C(N[C@@H](c1ccc(F)cc1)C(F)(F)F)C1CCN(c2ccccc2[N+](=O)[O-])CC1 489103617 PJWUNMMXZAQATD-SFHVURJKSA-N 425.382 4.370 5 20 IIBD COCCN(C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1C 489774008 CSASCJPWGVFHJB-CBGDNZLLSA-N 426.517 4.440 5 20 IIBD COc1cc(CNc2cccc(C(=O)NC(C)(C)C)c2)c([N+](=O)[O-])cc1OCC(F)F 490548442 SALHRROIGBIWNL-UHFFFAOYSA-N 437.443 4.388 5 20 IIBD CCOc1ccc2nc(N(Cc3ccccc3)C(=O)Cn3cc([N+](=O)[O-])cn3)sc2c1 491132590 IXEQWJMQGJGPLB-UHFFFAOYSA-N 437.481 4.033 5 20 IIBD COCC1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CCOCC1 491593887 KMGBHECMASZHJU-UHFFFAOYSA-N 439.306 4.150 5 20 IIBD O=C(NCc1ccn(-c2ccccc2)n1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 495091948 KZBOXKQLUZDKLI-UHFFFAOYSA-N 428.448 4.290 5 20 IIBD CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)cc21 498187236 ITMZSPPPANTFIU-UHFFFAOYSA-N 434.452 4.167 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])c3ncccc23)cc1 499678592 BAIUEHBBNULYLG-OAHLLOKOSA-N 428.514 4.347 5 20 IIBD Cc1ncc(C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)s1 499682217 KWFKDDYZRPKWHG-UHFFFAOYSA-N 428.539 4.046 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C3)cs1 500989225 FNJLJOIPAKCOQP-UHFFFAOYSA-N 428.539 4.475 5 20 IIBD COc1ccc([C@H]2C[C@H](NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)C2)cc1F 501298159 MXAMEKLCLRUXFP-IYARVYRRSA-N 427.476 4.021 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cnc(N3CCCC[C@H]3C)c(C)c2)cc1OC 503234135 QIZUAPHGZNAVKU-OAHLLOKOSA-N 428.489 4.337 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN([C@H](C)c2ccc(F)cc2F)CC1 505507492 RYWMSYLGWQBEBO-HUUCEWRRSA-N 435.496 4.259 5 20 IIBD O=C(CN1CCCCCC1)Nc1cccc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c1 505743291 FJTVTGYDYAGKSY-UHFFFAOYSA-N 449.511 4.003 5 20 IIBD O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c1 505778525 MNFWVXTXOFTALV-UHFFFAOYSA-N 435.484 4.143 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCCc2c(F)cccc2F)cc1[N+](=O)[O-])c1ccccn1 507421679 FZWLJCWIVCJVQS-AWEZNQCLSA-N 426.423 4.414 5 20 IIBD COc1cc(N2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)c(F)cc1[N+](=O)[O-] 508267471 UZHYYVKCGMBTOC-UHFFFAOYSA-N 427.476 4.150 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)c1cccc2ncccc12 509272781 ZXNQABBJGNAFOA-UHFFFAOYSA-N 447.232 4.333 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2cnco2)c1 509551387 FPYQSOLIFJHVQK-UHFFFAOYSA-N 449.204 4.415 5 20 IIBD COc1cc(C(=O)NC[C@H](c2ccccc2)N2CCc3sccc3C2)ccc1[N+](=O)[O-] 510817183 PYVFLZWSLALWSP-HXUWFJFHSA-N 437.521 4.194 5 20 IIBD Cn1cc(C(=O)N2CCCc3cc(OC(F)F)ccc32)c(-c2ccc([N+](=O)[O-])cc2)n1 511609299 GYFJAADWDCVTHW-UHFFFAOYSA-N 428.395 4.190 5 20 IIBD COc1ccc(CSCC(=O)Nc2cccc(OCc3ccccn3)c2)cc1[N+](=O)[O-] 512377638 JMBQFRAVDSVORD-UHFFFAOYSA-N 439.493 4.449 5 20 IIBD Cn1ccnc1[C@@H](NCCCC(=O)Nc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 513652459 AOPOVXLGIZMVSZ-FQEVSTJZSA-N 427.892 4.080 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCC[C@](CO)(c2ccccc2)C1 513904800 BMHZONFFYHLDPT-SANMLTNESA-N 448.469 4.126 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3cccc(NC(N)=O)c3)cc2[N+](=O)[O-])n1 514964275 XXQROKDTYBPANF-UHFFFAOYSA-N 429.483 4.254 5 20 IIBD Cc1ccc(C(=O)Nc2cccc(CNC(=O)CCOc3ccccc3[N+](=O)[O-])c2)cc1 515739266 UMLQUVLMILVFMG-UHFFFAOYSA-N 433.464 4.241 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 516341557 GODFYAWGLBLURB-UHFFFAOYSA-N 435.864 4.347 5 20 IIBD COc1ccc(CN2CCC[C@H]3CN(C)CC[C@H]32)cc1OCc1ccc([N+](=O)[O-])cc1 516686132 QPGPQEMOCARUQU-RBBKRZOGSA-N 425.529 4.099 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(F)c(F)c1 517959249 WCHRFBAUHWQZDX-UHFFFAOYSA-N 449.435 4.295 5 20 IIBD COc1cc(OCC(=O)N(Cc2cccc(C(F)(F)F)c2)C(C)C)ccc1[N+](=O)[O-] 520545277 XYKRUQNZSSBLRO-UHFFFAOYSA-N 426.391 4.438 5 20 IIBD CC[C@H](c1ccccc1)c1nnc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)s1 520728934 LVMPOLICVWRRRL-OAHLLOKOSA-N 428.470 4.014 5 20 IIBD CCCN(C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 521893374 JJMSOJOLGGWCHY-LJQANCHMSA-N 427.501 4.264 5 20 IIBD Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1Br 522597023 SZLNGKCHJXYHJM-SFHVURJKSA-N 446.301 4.217 5 20 IIBD COc1cc(C(=O)Nc2ccccc2CN(C)C(=O)c2cccs2)ccc1[N+](=O)[O-] 523090571 MSFMELWYMCPEAK-UHFFFAOYSA-N 425.466 4.189 5 20 IIBD CN1C(=O)CC[C@@H](C(=O)N2CCc3c2cccc3[N+](=O)[O-])[C@@H]1c1ccc(C(F)(F)F)cc1 523164396 WTTBQSVAWXUCBX-UZLBHIALSA-N 447.413 4.112 5 20 IIBD Cc1cc(C)n(-c2cccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Br)c2)n1 531262304 FECVNRSHUKVKGT-UHFFFAOYSA-N 429.274 4.341 5 20 IIBD COc1cc(F)c(NC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1F 532083245 DVYVUSLNGGDIQD-UHFFFAOYSA-N 434.321 4.134 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 533938077 LFWNTUJQJGYUOC-DEOSSOPVSA-N 425.448 4.401 5 20 IIBD Cc1sc2ncc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc3)c(=O)n2c1C 537315578 TXMQYUACTNFDMA-UHFFFAOYSA-N 434.477 4.128 5 20 IIBD CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F 541583843 XNKMTHSVHPKMBG-LBPRGKRZSA-N 441.381 4.343 5 20 IIBD CCOc1cc(NC(=O)N2CCO[C@H](CCc3ccccc3)C2)c([N+](=O)[O-])cc1OCC 541713502 MNSPUNKOFDYQPJ-GOSISDBHSA-N 443.500 4.258 5 20 IIBD CCOc1ccc([C@H]2CCCN2C(=O)Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)cc1 542710900 OSMLLCPQOHUROP-LJQANCHMSA-N 428.876 4.360 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2CCC3(CCOCC3)[C@@H]2C)c([N+](=O)[O-])c1 543450537 KNIVIQBRPLDLFV-INIZCTEOSA-N 438.480 4.008 5 20 IIBD CCCc1c(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)cnn1-c1cccc(F)c1 544292034 LXWZGPYVTLOUMI-UHFFFAOYSA-N 444.488 4.209 5 20 IIBD COc1ccc(CCc2nc(CCNc3ccccc3[N+](=O)[O-])no2)cc1Br 544563664 AYWWENBFLJQVAY-UHFFFAOYSA-N 447.289 4.189 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Cn4cccn4)cc3)no2)c(Br)c1 545029698 CQFOGQKLTBODOD-UHFFFAOYSA-N 426.230 4.319 5 20 IIBD Cn1c(SCc2ccc(OCc3ccccn3)cc2)nc2cc([N+](=O)[O-])ccc2c1=O 545813307 ANPZMIPGEMOVKL-UHFFFAOYSA-N 434.477 4.108 5 20 IIBD Cc1ccc(NC(=O)C(=O)N[C@H]2c3cccc(Br)c3CC2(C)C)cc1[N+](=O)[O-] 556421871 JVSPZHPHCLADSA-KRWDZBQOSA-N 446.301 4.044 5 20 IIBD Cn1ccnc1[C@H](NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1ccc([N+](=O)[O-])cc1 560514693 QWTQIDQIGMYPEX-FCHUYYIVSA-N 439.947 4.498 5 20 IIBD CC(C)(c1ccc(Cl)cc1)c1noc(CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)n1 569648685 CTVAMIJSENASSS-UHFFFAOYSA-N 442.859 4.498 5 20 IIBD COc1cnc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c(Br)c1 575876415 VZBCCMYQHYQLCE-UHFFFAOYSA-N 435.259 4.137 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H](c2ccccc2)c2cc3ccccc3o2)cc1 576308149 GKPRERMETWGLEE-HSZRJFAPSA-N 436.489 4.494 5 20 IIBD O=C(c1ccc(C(=O)N2CC[C@H](CC3CC3)C2)c([N+](=O)[O-])c1)N1CC[C@H](CC2CC2)C1 576334982 NEXOFGNHAHNSLL-RTBURBONSA-N 425.529 4.119 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](Oc2ccc(Cl)cc2)C1 576852967 GRKKHAVQZVGJES-QGZVFWFLSA-N 436.917 4.280 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(OCc2cn3ccccc3n2)cc1 581298009 RXNATAPBNKVUII-UHFFFAOYSA-N 430.464 4.136 5 20 IIBD COc1cc(Cc2noc([C@H]3CN(Cc4ccccc4)CCC3(F)F)n2)ccc1[N+](=O)[O-] 582811440 IKOKLVZVRSGVKP-QGZVFWFLSA-N 444.438 4.202 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(-c3ccc4c(c3)nc(C)n4Cc3ccsc3)n2)n1C 583961396 YTHNPTOKXXHVLD-UHFFFAOYSA-N 435.469 4.122 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc3nc(-c4cc(F)ccc4F)[nH]c3c2)c1 603981750 LFMXKRRCNWCJLD-UHFFFAOYSA-N 430.392 4.217 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)N(Cc2cccnc2)c2ccc(F)cc2)cc1[N+](=O)[O-] 604042955 UFTYWVOVPCBFDS-UHFFFAOYSA-N 435.864 4.486 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCc2cn3ccc(C)cc3n2)c([N+](=O)[O-])c1 604123024 JMGUHRIWTCHLGW-UHFFFAOYSA-N 444.447 4.181 5 20 IIBD CCOc1ccc(NC(=O)CNC(C)(C)c2ccc(Br)cc2)c([N+](=O)[O-])c1 604124963 PZLWDAWNDKDVMR-UHFFFAOYSA-N 436.306 4.219 5 20 IIBD Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)cc1 608866578 ZJQPXORQTJZMPA-OAHLLOKOSA-N 430.892 4.231 5 20 IIBD CC(C)OC(=O)c1ccc(Cl)c(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 608916463 GMYBSNCJRFYSSB-UHFFFAOYSA-N 446.891 4.168 5 20 IIBD CCCN(Cc1c(F)cccc1Cl)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 609392356 AEMQHYOKRSMGHU-UHFFFAOYSA-N 442.274 4.209 5 20 IIBD CCc1nc(CN2CCC(CNC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)cs1 609545497 QDKYUMGQXOCAQZ-UHFFFAOYSA-N 437.953 4.301 5 20 IIBD CC(C)(C(=O)N1CCCN(C(=O)Nc2cccc(Cl)c2)CC1)c1ccc([N+](=O)[O-])cc1 610062637 MSPGBNNEMAIQNJ-UHFFFAOYSA-N 444.919 4.292 5 20 IIBD O=C(N[C@H](CN1CCCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1Br 610063119 CMQYCHVPBSWORK-LJQANCHMSA-N 432.318 4.314 5 20 IIBD CCc1nc2ccc(C(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)cc2nc1CC 610305515 SETZWHFQYVSMGU-UHFFFAOYSA-N 434.496 4.346 5 20 IIBD CN(C)c1nc(CN[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cs1 610480853 NKPFKJIUIZZOHO-SFHVURJKSA-N 445.932 4.240 5 20 IIBD COC(=O)C[C@](C)(NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)c1ccncc1 614432869 DLUFNLVMHVRUNW-QFIPXVFZSA-N 443.525 4.233 5 20 IIBD Cc1cccn2cc(CCNC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])nc12 618674342 FKQNBIHXVTYXGB-UHFFFAOYSA-N 430.464 4.102 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[C@H](C)c1cccc(C(F)(F)F)c1 619488575 MCKXQJGNKAGLJA-LBPRGKRZSA-N 432.420 4.094 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccccc1NCc1ccccc1 726831085 ONROGRVYBBAMGY-MRXNPFEDSA-N 449.463 4.400 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N1CCC[C@H](C2OCCO2)C1 728055324 OTRJZSKEUVHUIR-JXFKEZNVSA-N 445.903 4.013 5 20 IIBD O=C(c1ccc(I)c([N+](=O)[O-])c1)N(Cc1ccc(F)cc1)C1CC1 729257363 FWWXHXNTKAYSRD-UHFFFAOYSA-N 440.212 4.143 5 20 IIBD CCCOc1ccc(Oc2ncccc2CNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)cc1 729522215 DCHUPPJLOSMSKU-UHFFFAOYSA-N 436.468 4.392 5 20 IIBD C[C@@H](OC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)no1)C(=O)Nc1cccc([N+](=O)[O-])c1 730858847 WTFVYSXHSSZERY-LLVKDONJSA-N 449.341 4.453 5 20 IIBD O=C(OCc1ccc(SC(F)F)cc1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 731971079 BWNMEYAKHNHIHJ-CYBMUJFWSA-N 442.465 4.319 5 20 IIBD COc1ccc(CSCC(=O)Oc2ccc(Br)c(F)c2)cc1[N+](=O)[O-] 732741535 GTSGYVNJSZVGFS-UHFFFAOYSA-N 430.251 4.344 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)CC2)ccc1[N+](=O)[O-] 739386507 WUADGQXSKQXUQG-KGLIPLIRSA-N 430.423 4.484 5 20 IIBD O=C(Nc1ccc(N2CCSCC2)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 743187513 PPMXGPYPJJURSV-UHFFFAOYSA-N 442.541 4.223 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3cccc(NC(=O)CC)c3)CC2)ccc1[N+](=O)[O-] 744200538 HDGRFXBINNAWBO-UHFFFAOYSA-N 441.484 4.168 5 20 IIBD C[C@@H](c1ccccc1)N(C)C(=O)COC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 747955931 FMFHAOXAAKRXTQ-AWEZNQCLSA-N 425.466 4.095 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CCO[C@H](c2cccc(F)c2)C1 749419011 KSAWLUCVLQZEIF-HNNXBMFYSA-N 443.656 4.364 5 20 IIBD COc1ccccc1N1CC[C@@H](CNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 749891119 BBDYSINPLKWUTE-LBPRGKRZSA-N 440.378 4.469 5 20 IIBD C[C@@H](OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1nc2cc(Cl)ccc2n1C 750225769 JUJTZZNPTLMGPC-GFCCVEGCSA-N 425.832 4.239 5 20 IIBD C[C@@H](Nc1ccc(C(=O)OCc2cn(-c3ccccc3)nn2)cc1[N+](=O)[O-])c1ccccn1 750891640 XUIWKNFCUNYTKZ-MRXNPFEDSA-N 444.451 4.101 5 20 IIBD O=C(OCc1nnc(-c2cccc(Cl)c2)o1)c1ccc(Br)cc1[N+](=O)[O-] 750962189 CATGTIJDLZAVJB-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 752079282 PSLGUWTYAGAZBS-CYBMUJFWSA-N 443.953 4.104 5 20 IIBD CN(C)c1cc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c2ccccc2n1 754637596 YXGHCEIPLCOLBO-UHFFFAOYSA-N 447.264 4.041 5 20 IIBD CC(C)(C)OC(=O)N1CCC(n2cc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cn2)CC1 756239929 VGGLDPQSYWZEQZ-UHFFFAOYSA-N 449.895 4.269 5 20 IIBD Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)C2)c1 756990995 ZDNHTPOOZLJTQV-MRXNPFEDSA-N 429.904 4.034 5 20 IIBD COc1ccc(CNC(=O)N(Cc2ccccc2)C[C@H](O)c2ccsc2)cc1[N+](=O)[O-] 757182211 LWUZLBRYTRCXFX-FQEVSTJZSA-N 441.509 4.110 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1ccccc1SC(F)(F)F 757278055 YIXPUBUGTNCVQC-UHFFFAOYSA-N 433.795 4.115 5 20 IIBD O=C(O)C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cccc(Cl)c1 761900234 WYQIVQBENLNARO-LJQANCHMSA-N 434.879 4.140 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 763813993 ISTCENKJULWTMS-GFCCVEGCSA-N 433.442 4.107 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 767875373 HPOKQOIKUJEKCC-HNNXBMFYSA-N 437.418 4.440 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 769441805 QLCUWWJCHWLECB-LBPRGKRZSA-N 441.962 4.152 5 20 IIBD CC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@H]1NC(=O)OC(C)(C)C 769485185 LQMBUEBYQLHLSQ-CZUORRHYSA-N 429.464 4.321 5 20 IIBD COc1cccc(OC)c1OC1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 769998565 QWXGZYZVJPUXJZ-UHFFFAOYSA-N 435.864 4.341 5 20 IIBD CCCN1C(=O)CCc2cc(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3Cl)ccc21 773256831 UAEHHXIXAKYLAY-UHFFFAOYSA-N 437.905 4.047 5 20 IIBD O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(OC2CCOCC2)cc1 773438222 CYZZQIAFNJXYEB-UHFFFAOYSA-N 436.258 4.272 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1cc(O)c(Cl)cn1 774292498 ORZJMVOKVSWZHR-UHFFFAOYSA-N 449.854 4.383 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[C@H]1NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 775179648 OKQKTMWJKZROLT-FRQCXROJSA-N 429.521 4.129 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[C@@H]1NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 775179657 OKQKTMWJKZROLT-TXPKVOOTSA-N 429.521 4.129 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)[C@H](C)c1c(C)nn(CC(F)(F)F)c1C 778166211 AVSDKGROEIZISL-LLVKDONJSA-N 429.395 4.216 5 20 IIBD COc1ccc(-c2nc(C(=O)O[C@H]3CCN(c4ccc([N+](=O)[O-])cc4)C3)cs2)cc1 778774745 ALFDJHGZBYMADC-SFHVURJKSA-N 425.466 4.163 5 20 IIBD O=[N+]([O-])c1ccc([C@@H](O)CN[C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)cc1 779067546 XMSCDJMEVOXSGA-NZQKXSOJSA-N 440.883 4.432 5 20 IIBD Cc1ccc(NC(=O)COC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1F 781257087 JECKPEOAFGRTLN-UHFFFAOYSA-N 440.377 4.203 5 20 IIBD Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)OCCn1c([N+](=O)[O-])cnc1C 781780614 IKTALXDVEHPQSS-UHFFFAOYSA-N 425.228 4.227 5 20 IIBD Nn1c(CSc2ccccc2)nnc1Sc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 782380680 HRLPLLLIGBJEPL-UHFFFAOYSA-N 427.433 4.362 5 20 IIBD Cc1cc(Br)c2oc(C(=O)OCC(=O)Nc3ccccc3[N+](=O)[O-])cc2c1 782418966 VWANXYCAADFQCQ-UHFFFAOYSA-N 433.214 4.207 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 783019265 DWOLFDMKWAFZBJ-IRXDYDNUSA-N 432.521 4.105 5 20 IIBD O=C(NC[C@H](Cc1ccccc1)c1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 783328773 IJHRONWIDWHHNQ-SFHVURJKSA-N 437.883 4.329 5 20 IIBD NC(=O)c1ccc(COC(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)c([N+](=O)[O-])c1 785874699 AIDZSOXLPNXICX-HXUWFJFHSA-N 440.452 4.410 5 20 IIBD O=C(Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1)c1ccc2cncn2c1 790114644 QABCKONETBMDNI-UHFFFAOYSA-N 427.372 4.235 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC(COc2ccc(Cl)nc2)CC1 790570855 CDDJTLMOFQRIBJ-UHFFFAOYSA-N 442.274 4.296 5 20 IIBD COc1ccc(-c2ccc(CNc3ccc(OC(C)C)c(C(N)=O)c3)o2)c([N+](=O)[O-])c1 793382561 JEUWWOSEAOCGIX-UHFFFAOYSA-N 425.441 4.362 5 20 IIBD O=[N+]([O-])c1cccc(/C(O)=C(/C(=S)NCCCCC(F)(F)F)[n+]2cccc(O)c2)c1 794848448 OZEQZJUVTARFEI-UHFFFAOYSA-O 442.439 4.121 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)Nc1ccccc1Cc1ccccc1 795710081 CMYPGLLPZBQJSM-UHFFFAOYSA-N 434.448 4.380 5 20 IIBD CCOc1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1S(=O)(=O)N(C)C 796402606 QSOONUSNRZAPGI-UHFFFAOYSA-N 445.497 4.116 5 20 IIBD Cc1cc(N2CCC(O)(c3scnc3Br)CC2)c2cccc([N+](=O)[O-])c2n1 797438346 OFLINYPWGRIAMH-UHFFFAOYSA-N 449.330 4.158 5 20 IIBD C[C@@H](OC(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1)C(=O)Nc1cccc([N+](=O)[O-])c1 797510804 SBXAYKNECXSVCG-LLVKDONJSA-N 449.250 4.271 5 20 IIBD COC(=O)Nc1cccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1C 797817349 SZNOJLYTAUNXNH-UHFFFAOYSA-N 434.257 4.189 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NS(=O)(=O)Cc1cccc(Cl)c1 799649003 HPGBTHNZWDQRIG-UHFFFAOYSA-N 428.919 4.010 5 20 IIBD CCCOc1ccc(Oc2ncccc2CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)cc1 801823712 AMFUBKZCLYIMOF-UHFFFAOYSA-N 440.431 4.222 5 20 IIBD COCC1(CNc2ccc3ncccc3c2[N+](=O)[O-])CCN(C(=O)OC(C)(C)C)CC1 804719149 INJQBTLHKYNSCC-UHFFFAOYSA-N 430.505 4.219 5 20 IIBD Cc1cccc(C)c1NC(=O)Cc1noc(-c2cc([N+](=O)[O-])ccc2N2CCCCC2)n1 809458333 VTNNNJKJBWFZNN-UHFFFAOYSA-N 435.484 4.433 5 20 IIBD O=C(Nc1cccc(F)c1)[C@H]1CSCN1C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 812989672 MKJNMOZSEFNJKD-CQSZACIVSA-N 444.271 4.195 5 20 IIBD CCc1nc(C(C)C)ccc1COC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 815209626 ADNKTPYULHGCCC-KRWDZBQOSA-N 431.514 4.085 5 20 IIBD Cc1cc(Br)ccc1NC(=O)COC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl 815407087 HKZLPPYLCBXWHS-UHFFFAOYSA-N 441.665 4.423 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC[C@H]21 817000462 NGNLBFUGCGLZRG-XJKSGUPXSA-N 431.514 4.281 5 20 IIBD Cc1cccc(C(=O)O[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)n1 891959086 SIMCQBZVGFTDFR-LJQANCHMSA-N 425.828 4.488 5 20 IIBD COc1cc(COC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c([N+](=O)[O-])cc1OC(F)F 914825227 COBHLLPSQUWGPI-UHFFFAOYSA-N 437.330 4.091 5 20 IIBD O=C(Nc1cccc(COc2ccc3c(c2)OCO3)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 916475259 XRTNAVUFVDRXGO-UHFFFAOYSA-N 437.364 4.063 5 20 IIBD CCCCNC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 917148378 WELQMFJWOLWBJO-UHFFFAOYSA-N 438.528 4.045 5 20 IIBD CC(C)(C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(F)cc1 918632294 CYHNKUUIICOBOS-HXUWFJFHSA-N 429.492 4.478 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1F)C(=O)Nc1ccc(OCc2ccccc2)cc1 919251414 LROKAPCDLAOHBS-OAHLLOKOSA-N 438.411 4.497 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 919523337 RAHNLQGXFKAULM-LLVKDONJSA-N 431.832 4.231 5 20 IIBD CC(C)(NC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O)c1ccc([N+](=O)[O-])cc1 1118271939 GVGLPILGNBTOSB-UHFFFAOYSA-N 448.504 4.085 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(Cn1[nH]c(-c3ccccc3Br)nc1=S)C2 1318838152 WDNJAMQBFBBNSQ-UHFFFAOYSA-N 432.303 4.252 5 20 IIBD O=C1c2ccc(-c3nnc(COc4ccccc4[N+](=O)[O-])o3)cc2C(=O)N1C1CCCCC1 1328233845 XSNDGYIMOXFDPH-UHFFFAOYSA-N 448.435 4.153 5 20 IIBD COCCn1c(-c2ccccc2Cl)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 1347409890 KFFGZYCGLSXMOY-UHFFFAOYSA-N 427.892 4.322 5 20 IIBD O=C(CCOc1ccccc1)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1 1787673730 UFNRRQCTXLJNTN-UHFFFAOYSA-N 449.463 4.405 5 20 IIBD C/C=C(\C)C(=O)Nc1ccc(C2(NC(=O)c3cc([N+](=O)[O-])cc4c3OCC4)CCC2)cc1 1791220274 DDCAKQNPHJUDNL-CRKCGEKBSA-N 435.480 4.244 5 20 IIBD O=C([C@@H]1CC=CCC1)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3cccc([N+](=O)[O-])c3)CCC1)C2 1793002437 CYTWHKHDCXNOTL-AYWYSENESA-N 437.540 4.011 5 20 IIBD C[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])o1)C2)c1ccccc1 1801747821 SUOLIWQSSSLYGG-MCUJJKJNSA-N 437.496 4.033 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC2(CCCN(C(=O)C3CCC3)C2)CC1 1808914873 JKKYKIKVLWWZNZ-UHFFFAOYSA-N 441.553 4.454 5 20 IIBD CC(C)=CCCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)sc2C1 1823463309 QRVMCIKVNUHASM-OAHLLOKOSA-N 446.504 4.163 5 20 IIBD O=C(c1ccc(Cl)cc1)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823615844 YUEFFEBUTMWDQB-GOSISDBHSA-N 445.903 4.388 5 20 IIBD O=C(Cc1cc([N+](=O)[O-])ccc1F)N1CCC([C@H]2CCCCN2C(=O)C2CCCC2)CC1 1826251680 WGOVBCBIPLGMPH-JOCHJYFZSA-N 445.535 4.086 5 20 IIBD O=C(c1ccsc1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830493826 QSQYTMRKZGGCNP-FQEVSTJZSA-N 445.516 4.343 5 20 IIBD Cc1ccsc1C(=O)N1CC2(CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 1845738645 IEJYTYQUIFKQSY-UHFFFAOYSA-N 441.534 4.310 5 20 IIBD O=C(COC(=O)c1occc1COc1ccccc1)Nc1cc(Cl)ccc1[N+](=O)[O-] 12189380 CYHSMZUPEYXUNH-UHFFFAOYSA-N 430.800 4.216 5 20 IIBD COCCN(C(=O)c1cccc(N(C)C)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 14790562 YGLCNHYYLZQZBM-UHFFFAOYSA-N 426.498 4.078 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 15390265 SXVTWKJIIDGZTG-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD C[C@H](OC(=O)c1ccc(CN2CCCCC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 16402090 ZSFFFNPKZLSOFJ-HNNXBMFYSA-N 445.903 4.418 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)CCSc2ccc(C)c(C)c2)c([N+](=O)[O-])c1 16837015 REKUSVHIZMVOFG-HNNXBMFYSA-N 432.498 4.273 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3cnc4c(cnn4C(C)C)c3)cc2)c(C)c1[N+](=O)[O-] 17574074 LYXLEDSJXVWCOJ-UHFFFAOYSA-N 433.472 4.034 5 20 IIBD COc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c(OC)c1 23494839 CETSYXNSGCGISM-UHFFFAOYSA-N 427.501 4.121 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 26120964 IWWXDTLYMCMDCA-FQEVSTJZSA-N 428.441 4.166 5 20 IIBD O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 32477776 UATWEEFQWITNRX-NRFANRHFSA-N 439.903 4.001 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCN(c2ccncc2)CC1 61210392 BCNUOBGKZGRXAS-UHFFFAOYSA-N 438.871 4.398 5 20 IIBD Cc1ccccc1NC(=O)Cc1nc(COC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cs1 115018815 OCXZFUXGIDEOLJ-FLIBITNWSA-N 437.477 4.298 5 20 IIBD COc1ccc(N(Cc2cccs2)C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 216333291 AIUJNRHEGTYUOK-OAHLLOKOSA-N 439.493 4.017 5 20 IIBD Cc1cc(CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)ccc1I 410034714 ANKSGDPAPVDDDG-NSHDSACASA-N 442.228 4.067 5 20 IIBD O=C(Nc1nc([C@H]2C[C@H]3CC[C@H]2C3)cs1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 435017030 PHQQJIFRZXPECP-MPGHIAIKSA-N 440.525 4.085 5 20 IIBD COc1cccc(C(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)c1[N+](=O)[O-] 435623649 CUAIFWUCGYQTCJ-UHFFFAOYSA-N 426.450 4.283 5 20 IIBD COC(=O)COc1ccc(CN[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1[N+](=O)[O-] 435788232 DPNYRVFWKMWIBJ-JCNLHEQBSA-N 438.402 4.201 5 20 IIBD O=C1COc2cc(NC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)c(Cl)cc2N1 436086873 CFBXGSFEQMZTID-UHFFFAOYSA-N 437.814 4.057 5 20 IIBD CC(C)CCOc1ccc(NC(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 437067359 DGKJVHBOTPJHGM-UHFFFAOYSA-N 425.485 4.149 5 20 IIBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cc(Cl)cc(Br)c1 437364274 JLJNTTISWIKTFH-UHFFFAOYSA-N 427.638 4.424 5 20 IIBD COC(=O)c1c(C2CC2)csc1NC(=O)c1ccc([N+](=O)[O-])cc1Br 439683415 UGRBGTFTWBEHJE-UHFFFAOYSA-N 425.260 4.335 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1ccc(C(C)C)cc1)C1CC1 439777243 XHYZTSUAJHDDMY-UHFFFAOYSA-N 425.485 4.247 5 20 IIBD COc1ccc(NC(=O)C(=O)Nc2ccc(C)c(OCC3CCCCC3)c2)cc1[N+](=O)[O-] 441074755 NVKJKEYWQIYQRI-UHFFFAOYSA-N 441.484 4.448 5 20 IIBD COc1ccc(NC(=O)CCN[C@H](C)c2ccc(Br)s2)c([N+](=O)[O-])c1 443340346 ASPMFPUBWFARSD-SNVBAGLBSA-N 428.308 4.107 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C 443958020 LHAHGBDCTJTTGL-UHFFFAOYSA-N 449.305 4.433 5 20 IIBD O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444329592 PCZHLNCJCKKRBL-OYLFLEFRSA-N 434.442 4.467 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2 444927478 WOGDJYRNWMAPFI-IRXDYDNUSA-N 447.438 4.014 5 20 IIBD COc1ccc(Cl)cc1CN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br 445740620 JSFAOSUTXZWWPJ-UHFFFAOYSA-N 427.682 4.220 5 20 IIBD C[C@@H]1CCCN(c2ccc(C(=O)N(CC(F)(F)F)[C@H]3CCCOC3)cc2[N+](=O)[O-])C1 446205446 IUNDNLGGDWCUFQ-ZBFHGGJFSA-N 429.439 4.015 5 20 IIBD Cc1ccccc1[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)[C@@H](C)CO1 447038372 FANCKCDPRLEESI-GUYCJALGSA-N 444.431 4.073 5 20 IIBD COc1cccc(-n2c(NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc34)nc3ccccc32)c1 461240296 CQCZAIODIGLPLA-UHFFFAOYSA-N 428.408 4.071 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNc3cccnc3-n3cncn3)o2)c(Br)c1 463250476 LZUSGZJBSXADQE-UHFFFAOYSA-N 441.245 4.205 5 20 IIBD CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 464994371 NWWVHMSQKDGJFG-NVXWUHKLSA-N 445.541 4.063 5 20 IIBD CC(C)N1C(=O)N(CCc2ccccc2[N+](=O)[O-])C(=O)[C@@H]1c1ccc(Br)cc1 468012095 QJJYMTQNZPMXNT-SFHVURJKSA-N 446.301 4.314 5 20 IIBD CCOc1cc(C(=O)N[C@@H](C)c2ccc(OCC3CC3)c(F)c2)c([N+](=O)[O-])cc1OC 469426200 LJQSNDDUSMZVDM-ZDUSSCGKSA-N 432.448 4.421 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@H](c2ccc(C)cc2)c2ccccn2)c(C)c([N+](=O)[O-])c1 470111520 ATSAQJIINHGELH-OAQYLSRUSA-N 434.452 4.304 5 20 IIBD Cn1cc(CNCCc2ccc(Cl)cc2[N+](=O)[O-])c(-c2ccc3c(c2)OCCCO3)n1 478330369 XVTLRYVANXEWPB-UHFFFAOYSA-N 442.903 4.142 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F 478436244 QPJQCNSGPOHQDC-HNNXBMFYSA-N 437.201 4.313 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H](CO)c1c(Cl)cccc1Cl 478438112 WXHLOODITMAZGV-ZDUSSCGKSA-N 433.675 4.174 5 20 IIBD Cc1c(CNC(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)cccc1[N+](=O)[O-] 478955853 YGZGBHGJXOFZJH-UHFFFAOYSA-N 429.480 4.301 5 20 IIBD C[C@@H](CN1CCCCCC1)NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 479815966 RDNIMURAHSJZKN-ZWKOTPCHSA-N 425.533 4.157 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 481550400 ABQCWSMSXZEOHN-SFHVURJKSA-N 432.498 4.143 5 20 IIBD O=C(Nc1ccc(OCc2ccccn2)c(F)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 482195353 VYNXKGKNCZQRLX-UHFFFAOYSA-N 433.399 4.146 5 20 IIBD Cc1c(CNC(=O)C(=O)Nc2ccccc2Nc2c(F)cccc2F)cccc1[N+](=O)[O-] 483822778 ROIHNQGXTYDASO-UHFFFAOYSA-N 440.406 4.180 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 484004435 IYMKRGXCFGNTAN-NRFANRHFSA-N 447.470 4.443 5 20 IIBD O=C(Nc1nc2ccccc2n1CCCn1ccnc1)c1cc2cc([N+](=O)[O-])ccc2o1 485426135 BDGVOMUVLSVGGE-UHFFFAOYSA-N 430.424 4.230 5 20 IIBD CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)c1c(C)cccc1[N+](=O)[O-] 485741467 IPFLHRQIBGEEAV-QGZVFWFLSA-N 435.318 4.433 5 20 IIBD CN(Cc1ccccc1NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CCCCC1 486777140 POLGUNITCQERAJ-UHFFFAOYSA-N 440.548 4.425 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)Nc1cccc(CSc2ccccn2)c1 487861228 PMKMLNFSBBPSDG-UHFFFAOYSA-N 446.488 4.236 5 20 IIBD O=C(CNc1cc(Cl)ccc1OC[C@H]1CCCCO1)N1CCc2cc([N+](=O)[O-])ccc21 488156609 BKJZQYXPYDXVCS-GOSISDBHSA-N 445.903 4.197 5 20 IIBD O=C(Nc1cccc(OCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1)c1ccco1 490359267 BHSSMPGWDVZTRU-UHFFFAOYSA-N 435.436 4.010 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 490794990 DVBLAJCAARUVGV-KBPBESRZSA-N 449.891 4.111 5 20 IIBD CCNC(=O)c1ccc(C)c(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 494462795 CTQZECXOIFNRKH-UHFFFAOYSA-N 433.464 4.484 5 20 IIBD CC(C)[C@H](NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccccc1Cl 497962652 IJHYBXAGOFQOLZ-FQEVSTJZSA-N 429.904 4.253 5 20 IIBD O=C(O)[C@H]1CCCN1C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 498822614 VPUYDMBGWWETGH-WTQUMQLASA-N 437.477 4.211 5 20 IIBD COc1ccc(NC(=O)c2cccc(NC(=O)c3ccc(SC)c([N+](=O)[O-])c3)c2)cn1 499568027 UHKRBPMVXLJCPH-UHFFFAOYSA-N 438.465 4.225 5 20 IIBD CCN1CCN(c2ccc(NC(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)c(C)c2)CC1 502634123 LZEIFERNDVUDSX-UHFFFAOYSA-N 449.458 4.291 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] 506611215 QAIZONUSJBYYKE-INIZCTEOSA-N 432.830 4.197 5 20 IIBD O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCCCC[C@H]1Cc1ccccc1Cl 508429542 YATWZJUGSFNLDE-SFHVURJKSA-N 439.903 4.456 5 20 IIBD CC(=O)Nc1ccc2nc(NC(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)sc2c1 511512536 LMKZRCCYLINAHB-UHFFFAOYSA-N 449.286 4.486 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN(CCO)Cc3cccnc3)o2)c(Br)c1 513725817 SUROQGJSBNLYPM-UHFFFAOYSA-N 432.274 4.007 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 514642642 CANGKHXKOHASKM-UHFFFAOYSA-N 431.514 4.029 5 20 IIBD COc1ccccc1-c1csc([C@H]2CCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)n1 515202873 FXNKPCWCYBYYKZ-AWEZNQCLSA-N 439.493 4.452 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N(C)Cc2cnc(C)s2)c([N+](=O)[O-])c1 515501351 DPFSMQZQTNVBGW-UHFFFAOYSA-N 425.466 4.014 5 20 IIBD COc1ccc(CC(=O)N2CCC(Nc3cccc(Br)c3)CC2)cc1[N+](=O)[O-] 515591567 WOWKFLCHEYYAEB-UHFFFAOYSA-N 448.317 4.012 5 20 IIBD CCOC(=O)c1c(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)sc2c1CCCC2 516041643 HVYZQJYNAJNKFR-UHFFFAOYSA-N 440.481 4.150 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N(C)Cc3scnc3C)c([N+](=O)[O-])c2)c(C)c1 517490530 VOUCGDCPKIAMPM-UHFFFAOYSA-N 446.554 4.414 5 20 IIBD COc1cc(CCNC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)c([N+](=O)[O-])cc1OC 517502447 UKMZWEALLXBCHP-MRXNPFEDSA-N 427.501 4.165 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCC(n3cc(Br)cn3)CC2)cc1[N+](=O)[O-] 518808861 QZIPPUXLVBANDE-UHFFFAOYSA-N 435.322 4.329 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCCOc2ccc(F)c(F)c2)cc1[N+](=O)[O-])c1ccccn1 521596434 YEOXSVZCWSAVPG-CQSZACIVSA-N 442.422 4.250 5 20 IIBD Cc1c(C(=O)N[C@H](Cc2ccccc2)c2cccs2)nnn1-c1cccc([N+](=O)[O-])c1 522582796 SBYSQWGLBSJOGK-LJQANCHMSA-N 433.493 4.259 5 20 IIBD O=C(c1c(-n2cccc2)sc2c1CCCC2)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 522860796 CKKTWNFJBLSANA-OAHLLOKOSA-N 437.525 4.047 5 20 IIBD O=[N+]([O-])c1ccc(OCCN[C@H](c2cccc(Br)c2)C2CCOCC2)cc1 525973511 HRIOZOSVDGANRF-FQEVSTJZSA-N 435.318 4.494 5 20 IIBD CNc1ccc(C(=O)N(Cc2cccc(Br)c2)C2CCOCC2)cc1[N+](=O)[O-] 527059213 LWFJCZMBSKSLOF-UHFFFAOYSA-N 448.317 4.220 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCCc1nc2cc(Cl)ccc2s1 532043363 KWPMHWXOTXPSOC-UHFFFAOYSA-N 432.310 4.032 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(C[S@](=O)Cc3cc(Cl)c4c(c3)OCCO4)co2)cc1 534061554 IUGAGDLRBXZXKX-GDLZYMKVSA-N 434.857 4.123 5 20 IIBD Cc1ccc2nc([C@@H]3CCCN(CC(=O)Nc4ccc([N+](=O)[O-])cc4Cl)C3)[nH]c2c1 534215843 UTSDKYZWUVKBNT-CQSZACIVSA-N 427.892 4.251 5 20 IIBD CC[C@@H](c1ccccc1)N(CC(=O)OC)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 535602494 MRWAVZJIBKUARZ-IBGZPJMESA-N 439.493 4.485 5 20 IIBD COc1cc(N[C@H]2CCCN(C(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)C2)cc(OC)c1 536730674 ABIPHXADUACIQE-KRWDZBQOSA-N 427.501 4.254 5 20 IIBD C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCCCc1nc(-c2ccncc2)cs1 536876388 LFVDOMJEMCVUPZ-OAHLLOKOSA-N 425.514 4.053 5 20 IIBD CCCN1C(=O)CCc2cc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])ccc21 536937389 LNUBMSQLCSYHJL-CYBMUJFWSA-N 431.876 4.343 5 20 IIBD Cc1ccc([C@H](C)N[C@H](C)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1[N+](=O)[O-] 538018884 YASKJFPPXVKWJY-SJORKVTESA-N 443.525 4.387 5 20 IIBD Cc1nc(-c2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2Cl)n[nH]1 540514232 RXFAUOWVXJHGIE-UHFFFAOYSA-N 426.864 4.194 5 20 IIBD CC[C@H](NCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1OCC(=O)N1CCCC1 542053829 UZDVYIFZQBIMOB-FQEVSTJZSA-N 431.920 4.490 5 20 IIBD COc1ccc([C@H](CNC(=O)CSc2ccccc2[N+](=O)[O-])N2CCCCC2)cc1 542198584 CSNGEMBJKHJXFN-FQEVSTJZSA-N 429.542 4.039 5 20 IIBD C[C@@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccccc2)no1 542383040 BVCQOFNDSPXXNV-LBPRGKRZSA-N 432.889 4.310 5 20 IIBD CC[C@H]1Oc2cc([C@H](C)Nc3ncc([N+](=O)[O-])c(C)c3Br)ccc2NC1=O 542508467 TUTVRXHQIICPHH-IINYFYTJSA-N 435.278 4.343 5 20 IIBD CN(C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 542559605 FDKNRIDLGRQALW-PZJWPPBQSA-N 438.459 4.127 5 20 IIBD CCOc1cc(NC(=O)c2ccn(-c3ccc(F)cc3C)n2)c([N+](=O)[O-])cc1OCC 543041133 MHRHBFLPZPIZBF-UHFFFAOYSA-N 428.420 4.278 5 20 IIBD COC(=O)c1cc(-c2nc(Cc3nc4cc(Cl)ccc4s3)no2)cc([N+](=O)[O-])c1 545594625 HEHSSKVHFQQNTD-UHFFFAOYSA-N 430.829 4.285 5 20 IIBD CN(C)c1nc2cc(-c3noc(-c4cc(Br)cc([N+](=O)[O-])c4)n3)ccc2o1 545822266 MMWGVHBBVSAOBT-UHFFFAOYSA-N 430.218 4.282 5 20 IIBD O=C(NC1CC1)N[C@@H]1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 546264853 YOCUWNMINILLMR-MRXNPFEDSA-N 430.892 4.076 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3ccc(-c4noc(-c5ccc(F)cc5)n4)cc3)n2)nc1 546494431 ZZTGHKQLWIYBOH-UHFFFAOYSA-N 444.382 4.487 5 20 IIBD O=[N+]([O-])c1ccccc1-c1nc(Cc2cc(Br)c3c(c2)OCCCO3)no1 547072630 PZRIKVCVLMBIAK-UHFFFAOYSA-N 432.230 4.159 5 20 IIBD CC(C)N(C)CC1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 548034629 BCEHALHPXVPGIC-UHFFFAOYSA-N 427.495 4.152 5 20 IIBD O=[N+]([O-])c1ccc(C(F)(F)F)c(-c2nc(-c3ccc(CN4CCOCC4)cc3)no2)c1 551332153 JIRDMHKUJMVVEY-UHFFFAOYSA-N 434.374 4.163 5 20 IIBD CCn1c(CCNC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)nc2ccccc21 555810801 NTWDEEDJUXVHTR-UHFFFAOYSA-N 431.290 4.008 5 20 IIBD Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] 557363944 UXMMGGHCPKEOTO-UHFFFAOYSA-N 426.904 4.425 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@](CO)(Cc2ccc(F)cc2)C1 558576622 KMSSOSFDZRHGAA-QFIPXVFZSA-N 432.517 4.302 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)CCNc1ncc(C(F)(F)F)cc1Cl 560992273 ZYZATGQYJZTGEY-UHFFFAOYSA-N 430.814 4.165 5 20 IIBD C[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)C[C@H](c2cccc(C(F)(F)F)c2)O1 561443209 ITNMATINDRTMPY-PIGZYNQJSA-N 434.374 4.092 5 20 IIBD COc1cc(OC)c(-c2noc(-c3cc([N+](=O)[O-])ccc3C(F)(F)F)n2)cc1OC 579138642 UZFBHQBINYMVSE-UHFFFAOYSA-N 425.319 4.356 5 20 IIBD CC(=O)N1C[C@@H]2CCC[C@H](Nc3ccc(C(=O)Nc4ccc(C)cc4)cc3[N+](=O)[O-])[C@H]2C1 581153041 FNHCGRLLTQRUPH-JBACZVJFSA-N 436.512 4.214 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCc3sc(Cl)cc32)c(Br)c1 582328672 JPXNMMAOBZTYFD-SNVBAGLBSA-N 437.724 4.038 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cc(C)ccc2SCC(F)(F)F)c([N+](=O)[O-])c1 583659758 LQGJTJMHJJQTSD-UHFFFAOYSA-N 436.433 4.367 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nnc(Cc3ccc4ccccc4c3)o2)c1C 584569417 QNXUIJJJLUTVSO-UHFFFAOYSA-N 438.465 4.139 5 20 IIBD CCc1ccc([C@@H](NC(=O)Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)c2cccs2)cc1 603911908 VCZLWMDWSREHQV-OAQYLSRUSA-N 437.477 4.032 5 20 IIBD O=c1c2ccccc2nc(SCCCOc2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCO1 603948146 YHMVKHNNYDTUDF-GOSISDBHSA-N 441.509 4.045 5 20 IIBD CCC(CC)[C@@H](NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)c1cccs1 604024849 BFKWPSIETVPSIY-HXUWFJFHSA-N 440.525 4.418 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccccc1SCC(F)(F)F)c1cccc([N+](=O)[O-])c1 604222461 MGBBTWDFAFOBQR-NSHDSACASA-N 427.404 4.065 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1C 604277106 ISOKISUDQDEHNZ-QWRGUYRKSA-N 448.385 4.399 5 20 IIBD CCc1cccc2c1OCC[C@H]2Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl 608831134 CHVDTXCOOYOJLA-QGZVFWFLSA-N 426.860 4.292 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CCC[C@H](c3ccccc3)CC2)ccc1[N+](=O)[O-] 608968190 OSYMRMKFTJLPGL-NZQKXSOJSA-N 435.524 4.304 5 20 IIBD CC(=O)Nc1nnc(S[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)s1 609215052 JGFYICBNKXXODH-INIZCTEOSA-N 443.510 4.185 5 20 IIBD COc1cc(C(=O)N2CCCc3sccc3C2)c([N+](=O)[O-])cc1OCc1cscn1 609332143 LNFQLBFZPXQXLB-UHFFFAOYSA-N 445.522 4.289 5 20 IIBD COc1cc(C(=O)N[C@H]2CCN(CC3CC3)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 609382302 AIJCXBNUTMMSSA-KRWDZBQOSA-N 445.903 4.263 5 20 IIBD Cc1cccc([C@@H]2CCCN2S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 609418416 GVOYIZHEUFGCSH-KRWDZBQOSA-N 425.304 4.192 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCc1cccc(NC(=O)C2CCCC2)c1 609723589 JTFDJZZMSKCMCQ-UHFFFAOYSA-N 445.903 4.462 5 20 IIBD O=[N+]([O-])c1cccc(-n2nc(-c3ccco3)cc2NS(=O)(=O)c2ccccc2Cl)c1 609831321 ZAFPFLFZQZLFJJ-UHFFFAOYSA-N 444.856 4.495 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(-c2nc3ccccc3n2C)cc1 609843571 JUIMFEOMTRWHQK-KRWDZBQOSA-N 447.499 4.020 5 20 IIBD CN1C(=O)CCN(C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc21 609976016 RJJQLLGLNQMNOC-UHFFFAOYSA-N 439.415 4.105 5 20 IIBD Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)o1 609978289 KBAPMXVBSCTUSM-LJQANCHMSA-N 447.476 4.350 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)Nc1cc(F)c(F)c(F)c1)c1ccccc1[N+](=O)[O-] 610163497 QLALCIQZUIBECT-OAHLLOKOSA-N 425.363 4.217 5 20 IIBD CCN(CC)[C@H](CNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1)c1ccccc1Cl 610168631 LSEKQRPWULSCTO-GOSISDBHSA-N 435.908 4.078 5 20 IIBD COc1ccc2c(c1)OCC[C@@H]2NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 610234377 XSUYCTDBLJGPPW-AWEZNQCLSA-N 442.415 4.354 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@@H]1c1nc(C(C)(C)C)cs1 610301574 MNIZDOCKHSNWTQ-WMLDXEAASA-N 444.557 4.221 5 20 IIBD CN(C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 611090921 UTDKOPVSUVBNBQ-HKUYNNGSSA-N 435.402 4.186 5 20 IIBD COC1CCN(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC1 611204663 SKOIOMKBYQQIBR-UHFFFAOYSA-N 435.590 4.249 5 20 IIBD Cn1ccnc1[C@H](NC[C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc([N+](=O)[O-])cc1 611560459 IZHKORXDLZDOLR-IIBYNOLFSA-N 425.920 4.187 5 20 IIBD Cc1c(Cc2noc(C3CCN(C(=O)c4ccc(F)cc4F)CC3)n2)cccc1[N+](=O)[O-] 612967695 NLRYJHWGDCHTEJ-UHFFFAOYSA-N 442.422 4.175 5 20 IIBD COc1cc(C(=O)N2CCC3(CCO3)CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 619732161 MXBPQPIPTMYEDN-UHFFFAOYSA-N 432.860 4.444 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)no1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 725786806 KDHMRFTYPHVXIL-UHFFFAOYSA-N 436.447 4.170 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 725830161 ZAPPXHZKGOGQJE-UHFFFAOYSA-N 437.836 4.053 5 20 IIBD Nc1c(Cl)cc(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1Cl 727749229 SUPKXRJMKCUUQI-UHFFFAOYSA-N 441.090 4.047 5 20 IIBD CCS(=O)(=O)c1ccc(Cl)c(C(=O)OCCc2ccc([N+](=O)[O-])cc2)c1Cl 732368461 BGTNKXMGFBFNQH-UHFFFAOYSA-N 432.281 4.095 5 20 IIBD C[S@](=O)CCNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2 735052318 WUIUERAMMIKGKT-HBNLVSQVSA-N 449.532 4.128 5 20 IIBD COc1cc(OC)cc([C@H](O)CNCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)c1 735676340 KQLPWBQDOFOTCJ-XMMPIXPASA-N 437.496 4.203 5 20 IIBD CN(C)c1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c2ccccc2n1 743800850 IJABETKISCDJGP-UHFFFAOYSA-N 433.512 4.129 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 744420978 ADLITYFDJIVLHF-CQSZACIVSA-N 439.428 4.157 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)OCc1ncc(-c2ccccc2Br)o1 744518129 KABDEVQBMLOJBV-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD CCc1ccc([C@H](NC(=O)COC(=O)Cc2cccc([N+](=O)[O-])c2)c2cccs2)cc1 745334159 FCWSRDZIOMROKZ-QHCPKHFHSA-N 438.505 4.210 5 20 IIBD Cc1ccc(Cn2ccccc2=NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 747589789 SWLDNUFNOISZJT-UHFFFAOYSA-N 430.508 4.097 5 20 IIBD CCCn1c(C)cc(C(=O)COC(=O)c2cc([N+](=O)[O-])c(Br)cc2F)c1C 751690927 DWVMWZGPCAUPQB-UHFFFAOYSA-N 441.253 4.364 5 20 IIBD Cc1cc(Br)cc([N+](=O)[O-])c1OCC(=O)Nc1ccc(N2CCCC2)cc1 753833205 KKNAPDCFKODAAN-UHFFFAOYSA-N 434.290 4.283 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Oc1cc(C)ccc1NC(=O)OC(C)(C)C 755279897 KSUIPAKPAMGDDS-UHFFFAOYSA-N 438.458 4.027 5 20 IIBD Cc1ccc([C@@H]2C[C@H](OC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)CCO2)cc1 757490214 ZZBWJZYCKPVXBR-KURKYZTESA-N 444.509 4.033 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2cc(F)c(C(F)(F)F)c(F)c2)cccc1[N+](=O)[O-] 758840720 MSOMBLYXSROARP-VIFPVBQESA-N 432.301 4.384 5 20 IIBD CCOc1nc(C(F)(F)F)ccc1C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 759306724 YZYTTZYRTROMIS-UHFFFAOYSA-N 437.330 4.419 5 20 IIBD Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 760793722 PTCDFISQJBYJDW-VIFPVBQESA-N 442.211 4.302 5 20 IIBD O=C1OCCN1c1ccc(-c2noc(-c3ccc([N+](=O)[O-])cc3Br)n2)cc1 761754852 VFQGIZYMWWHOOM-UHFFFAOYSA-N 431.202 4.031 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)cc1Br 762594349 LQHUEVUMOUFPNR-UHFFFAOYSA-N 448.298 4.144 5 20 IIBD CCc1nc2c(s1)[C@@H](N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)CCC2 763355410 HESMJNLLDFOZAB-ZDUSSCGKSA-N 429.951 4.274 5 20 IIBD Cc1nn(CN2CCO[C@H](c3ccccc3Br)C2)c2ccc([N+](=O)[O-])cc12 764961847 GRIYORKHMVZFAG-IBGZPJMESA-N 431.290 4.046 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 765622182 JYTCVWLPPKGTAL-UHFFFAOYSA-N 434.370 4.484 5 20 IIBD NC(=O)c1ccc(SCC(=O)OCc2nc(C3CCCCC3)cs2)c([N+](=O)[O-])c1 767059364 GZCNTVBEBFRRNB-UHFFFAOYSA-N 435.527 4.033 5 20 IIBD CC(=O)Nc1ccc2c(COc3c(Br)cccc3[N+](=O)[O-])cc(=O)oc2c1 769872914 NIDYGIRKYCQFBI-UHFFFAOYSA-N 433.214 4.001 5 20 IIBD COc1ccc(CN2C(=O)/C(=C/c3ccc([N+](=O)[O-])c(OC)c3)c3ccccc3C2=O)cc1 770569176 RHPUJTKNZDAXNR-FYJGNVAPSA-N 444.443 4.335 5 20 IIBD C[C@@H](OC(=O)c1ccc(C(=O)OC(C)(C)C)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 771129196 ZIZOQUJQVNPHRO-GFCCVEGCSA-N 448.859 4.388 5 20 IIBD CC(=O)N(c1ccc(Cl)cc1)c1nc(COC(=O)c2c(N)cccc2[N+](=O)[O-])cs1 778145006 GOFOLSNNEAGZPC-UHFFFAOYSA-N 446.872 4.329 5 20 IIBD CC(C)OC(=O)NCc1ccc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1 778266990 WIWWAZBPLFPNPM-UHFFFAOYSA-N 434.880 4.247 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)cc1 778296059 VWOYSJIAKQCCBK-LLVKDONJSA-N 443.485 4.438 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 778782805 DRIVAPYUJNAHJJ-MNOVXSKESA-N 441.303 4.150 5 20 IIBD COc1cc2c(cc1NC(=O)COC(=O)c1cc(O)cc([N+](=O)[O-])c1)oc1ccccc12 780072728 UPLDRRCIIKVMJZ-UHFFFAOYSA-N 436.376 4.004 5 20 IIBD CCC[C@H](NC(=O)COC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccccc1 781260452 PDCIKZKJRUUGDZ-NRFANRHFSA-N 428.488 4.496 5 20 IIBD C[C@H](OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)N[C@H](C)c1ccc(F)cc1 781261414 ULMMNDNUNZSOQL-CABCVRRESA-N 432.451 4.243 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Oc1ccc(NC(=O)c2ccsc2)cc1 781802331 YXRZHORXJQPXSR-UHFFFAOYSA-N 441.421 4.355 5 20 IIBD C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1Br 791029262 ADPHSLRWYPYMLZ-LBPRGKRZSA-N 448.273 4.147 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCc2ccc(Br)cc2C1 791165377 CXPDMHVILAAEQQ-UHFFFAOYSA-N 427.657 4.277 5 20 IIBD C[C@@]1(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCc2ccccc2C1 791236457 XSAXMCHOAZZTID-OAQYLSRUSA-N 429.314 4.437 5 20 IIBD CCOC(=O)/C(=C/c1cccc(NC(=O)c2ccc(OC)cc2)c1)c1ccc([N+](=O)[O-])cn1 791428793 UOONCWTXEFLQBS-KGENOOAVSA-N 447.447 4.354 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N(CCO)Cc1ccc(Br)s1 792201275 AMEMSFVZSSIUHT-UHFFFAOYSA-N 434.699 4.099 5 20 IIBD COc1ccccc1[C@@H]1CC[C@@H](C)CN1Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O 795676501 SRNZMHFZBKIJEZ-VGSWGCGISA-N 434.496 4.258 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(NCc3cc(F)c(F)cc3Br)CC2)cc1 797095719 FUXBHBDNXHLTID-UHFFFAOYSA-N 426.261 4.394 5 20 IIBD O=[N+]([O-])c1ccc(N2CCOC[C@H]2C[C@@H](O)c2cccs2)nc1-c1ccc(F)cc1 797436071 VRQAOAYXXCKLCA-SJLPKXTDSA-N 429.473 4.186 5 20 IIBD CC(C)(CC(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)CC(=O)c1ccccc1 799605824 KDBIHLPADXCLSR-UHFFFAOYSA-N 439.512 4.439 5 20 IIBD CC1(C)CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 799738765 AIJNXUZQSPJWGA-UFYHVXEKSA-N 441.297 4.306 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1F)C1(c2ccc(I)cc2)CC1 799860380 ANVYXVYZPJLAJJ-UHFFFAOYSA-N 426.185 4.009 5 20 IIBD COc1ccc(-c2ccc(C)c(NC(=O)[C@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)c2)cn1 801088036 BRMIPLAKPOESNM-OAQYLSRUSA-N 432.436 4.106 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1nc2ccccc2cc1Br 808704775 KJKNQLVGXLWUQW-UHFFFAOYSA-N 445.225 4.129 5 20 IIBD CCOc1cc(C(=O)N[C@H](C)c2ccc(N3CCCCC3=O)cc2)c([N+](=O)[O-])cc1OC 811003565 GDQSURUNVCTXEP-OAHLLOKOSA-N 441.484 4.010 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])ncc1Br)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C 813643848 CKTQXEAWVVKERT-CVEARBPZSA-N 434.290 4.070 5 20 IIBD C[C@H](CCOCc1ccccc1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 813771692 YZFRJPODLZHLSG-GFCCVEGCSA-N 425.254 4.222 5 20 IIBD COCCCOc1ccc(Cl)cc1S(=O)(=O)Oc1cccc(Cl)c1[N+](=O)[O-] 815056188 HDJFHXVAKWWXCV-UHFFFAOYSA-N 436.269 4.085 5 20 IIBD Cc1cc(Cl)c(C(=O)O[C@@H](C(=O)N[C@@H]2CCOc3ccccc32)C(C)C)cc1[N+](=O)[O-] 815405905 NJVHWUUSJYDCST-YLJYHZDGSA-N 446.887 4.378 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])O[C@H](c1nc2ccccc2o1)C(F)(F)F 816063871 UQZFHPWOEIPXDA-MRXNPFEDSA-N 439.302 4.424 5 20 IIBD O=C(c1cc(F)c([N+](=O)[O-])cc1F)N1CC[C@H](Cc2ccc(Br)cc2)C1 817767991 FMUZEVUSSODARA-GFCCVEGCSA-N 425.229 4.340 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)NCc2ccc(CN3CCCC[C@@H]3C)cc2)cc1[N+](=O)[O-] 915646014 JIVSBUKKVBXCTL-HNNXBMFYSA-N 426.473 4.116 5 20 IIBD O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1)c1ccc([N+](=O)[O-])s1 916063027 ZAZROEHPOHKMJU-UHFFFAOYSA-N 427.825 4.363 5 20 IIBD COc1cc(/C=C2/N=C(c3cccc([N+](=O)[O-])c3)OC2=O)ccc1OCc1c(C)noc1C 916548303 YKDIBTULEMSKHK-DJKKODMXSA-N 449.419 4.132 5 20 IIBD CCCCCN(Cc1ccc(F)cc1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 916566295 VKXKDOCRZPHYBC-UHFFFAOYSA-N 429.492 4.403 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1cc(Cl)c2c(c1)OCO2 917206134 UBILZDMQDJKTCT-UHFFFAOYSA-N 444.831 4.078 5 20 IIBD Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 917721397 XVCWMVXAPOEODD-UHFFFAOYSA-N 440.456 4.435 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N(C)Cc3cccc(C(N)=O)c3)cc2[N+](=O)[O-])cc1 918176577 RQNGANDZFMMCGA-UHFFFAOYSA-N 435.505 4.426 5 20 IIBD Cc1nc(COC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)oc1C 920264013 DDDXEKSTEFTNDI-UHFFFAOYSA-N 427.379 4.178 5 20 IIBD C[C@@H](OC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)C(=O)NCc1ccccc1 920549295 XAGNQRLJGLLTEI-IAGOWNOFSA-N 448.479 4.025 5 20 IIBD COc1cc(Br)c(OC)c(-c2nnc(COc3ccccc3[N+](=O)[O-])o2)c1 1117191258 GNAZSVUXWAJREB-UHFFFAOYSA-N 436.218 4.004 5 20 IIBD COc1ccc(C[C@@H](CO)CNCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1O 1117645106 YDEMIQPFONNYQA-OAHLLOKOSA-N 446.887 4.163 5 20 IIBD Cc1cc(OCc2ccc(-c3nnc(Cn4ccc([N+](=O)[O-])n4)o3)cc2)ccc1Cl 1322166570 ZMAAPQJRVQMUDI-UHFFFAOYSA-N 425.832 4.430 5 20 IIBD CC(=O)N1Cc2ccc(NC(=O)c3ccc(N[C@@H](C)c4ccccn4)c([N+](=O)[O-])c3)cc2C1 1323578204 QLRJAMDCNPYXAQ-HNNXBMFYSA-N 445.479 4.277 5 20 IIBD CCOC(=O)c1cc(-c2nnc(-c3ccc(F)cc3Br)o2)cc([N+](=O)[O-])c1 1324150087 CHXSKRVIGOIUFM-UHFFFAOYSA-N 436.193 4.390 5 20 IIBD Cc1c(-c2nnc(N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)n2C)oc2ccccc12 1338769646 MAJCGVFCRYFDHU-UHFFFAOYSA-N 433.468 4.493 5 20 IIBD O=C(Cc1cccs1)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1 1785747685 GAZPENZCHASEJV-UHFFFAOYSA-N 425.466 4.240 5 20 IIBD Cc1cccnc1C(=O)Nc1ccc(C2(NC(=O)c3cccc(F)c3[N+](=O)[O-])CCC2)cc1 1786499695 ATCFAXKSCWHIRU-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD CC1=CC[C@H](C(=O)N2CCC3(CCCN(C(=O)/C=C/c4ccc([N+](=O)[O-])o4)C3)CC2)CC1 1805684822 ZWKPDVBPGOBUFB-XSBJJCPUSA-N 441.528 4.179 5 20 IIBD Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3ccc([N+](=O)[O-])o3)[nH]n2)cc1 1820592718 GUHLTAWPEPJJJL-JARZOMNASA-N 449.467 4.239 5 20 IIBD Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)CC2)o1 1824680852 YNIQTXZRFPRSLG-AIADIJKESA-N 441.484 4.036 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCC([C@@H]2CCCCN2C(=O)CC2CCC2)CC1 1832835612 BLKUMEVDDNZIFJ-QFIPXVFZSA-N 445.535 4.086 5 20 IIBD O=C(c1ccccc1F)N1CC2(CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 1845739340 KNORMYGLXWIMGZ-UHFFFAOYSA-N 439.468 4.079 5 20 IIBD COCCn1c(SCc2cccc([N+](=O)[O-])c2)nc2sc3c(c2c1=O)CCCC3 3601013 SVRDBQGJIVAKPC-UHFFFAOYSA-N 431.539 4.184 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])cc1OC 9487703 IWXNOBDZCVGDRJ-ZDUSSCGKSA-N 430.457 4.094 5 20 IIBD O=C(c1ccccc1C(F)(F)F)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 10274031 WIXZARKMPYQWSV-UHFFFAOYSA-N 430.386 4.124 5 20 IIBD CC(C)CCSc1ccc(C(=O)OCc2cc(=O)n3ccsc3n2)cc1[N+](=O)[O-] 10277130 YZPCYSXNCIDPIQ-UHFFFAOYSA-N 433.511 4.159 5 20 IIBD COc1ccc(NC(=O)COC(=O)CSc2cc(Cl)ccc2Cl)c([N+](=O)[O-])c1 11465471 WQYRXDLACZKTPD-UHFFFAOYSA-N 445.280 4.184 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CSc1ccc(C(C)(C)C)cc1 12960631 GGQRCQTVBCCTBB-UHFFFAOYSA-N 432.498 4.175 5 20 IIBD Cc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1I 14816991 MKVBUBFUUONKKB-UHFFFAOYSA-N 428.251 4.239 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c1 22189399 BUHJCOJHHSKROE-MRXNPFEDSA-N 447.469 4.038 5 20 IIBD C[C@@H](OC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1Br 22243448 SWNKLNVDPBKJRS-LLVKDONJSA-N 448.273 4.116 5 20 IIBD CC(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)s1 25267552 YDCSPNSCWOIOOC-VIFPVBQESA-N 430.360 4.062 5 20 IIBD C[C@@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)Nc1ccccc1Cc1ccccc1 26581673 WOLOKNGKZALKDF-OAHLLOKOSA-N 448.431 4.098 5 20 IIBD CCOc1ccc(NC(=O)CSc2nnc(NC3CCCCC3)s2)c([N+](=O)[O-])c1 28374328 JEKUSZDPBGVWRK-UHFFFAOYSA-N 437.547 4.320 5 20 IIBD CC(C)OC(=O)C[C@@H](NS(=O)(=O)c1ccc(C(C)C)cc1)c1ccccc1[N+](=O)[O-] 31071150 FWLKKZPNPJOHBX-LJQANCHMSA-N 434.514 4.080 5 20 IIBD COc1ccc(C2=N/C(=C/c3c(C)nn(-c4ccccc4)c3Cl)C(=O)O2)cc1[N+](=O)[O-] 58429974 UYAYOZOJZZZOJY-LFIBNONCSA-N 438.827 4.095 5 20 IIBD CCn1c(SCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)nnc1-c1ccccc1OC 107673758 WCIAUJLHBYLZDO-UHFFFAOYSA-N 438.469 4.224 5 20 IIBD COc1ccc(Cl)cc1CNCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] 237097665 IAIDWEARDDDBGQ-UHFFFAOYSA-N 434.798 4.496 5 20 IIBD Cn1cc(CNCCc2nc(-c3cccc(Cl)c3)no2)c(-c2ccc([N+](=O)[O-])cc2)n1 237762962 YJZVKRWRQIFTDM-UHFFFAOYSA-N 438.875 4.031 5 20 IIBD O=C(c1cccc(Cl)c1Cl)N1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1 301125018 ZNSSZRFFXUVFGA-UHFFFAOYSA-N 431.279 4.412 5 20 IIBD C[C@@H](c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 301464380 PGNRSALCHHWASZ-HNNXBMFYSA-N 430.892 4.088 5 20 IIBD C[C@@H]1C[C@@H](c2cccnc2)N(c2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])C1 302141193 PATBXEBDOSRQCC-IERDGZPVSA-N 438.509 4.378 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1cccc(NC(=O)C2CCCCC2)c1 302682301 XGXWXJQBVIZFPI-UHFFFAOYSA-N 431.514 4.129 5 20 IIBD O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 302926924 CBCLJUDHSHSYGX-SFHVURJKSA-N 443.459 4.356 5 20 IIBD CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 303076678 AXJFVXZUEWVDHZ-AWEZNQCLSA-N 449.914 4.412 5 20 IIBD CSc1nnc(CCCNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])n1C1CCCC1 436319449 PZVVVRCVNOOUGS-UHFFFAOYSA-N 430.456 4.482 5 20 IIBD O=C(NCCc1ccn(-c2ccccc2)n1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436372358 XJEYRTSHMOFIGD-UHFFFAOYSA-N 444.441 4.118 5 20 IIBD O=C(NCc1nc(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])cs1)c1ccccc1 436399196 IGKNCVHVBSPPJE-UHFFFAOYSA-N 437.403 4.007 5 20 IIBD O=C(N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 436451494 SJOBLQGLOCGCTQ-OAHLLOKOSA-N 443.744 4.001 5 20 IIBD O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 436962990 PBINKIZDVDTING-CQSZACIVSA-N 428.832 4.024 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccc(OC)cc1)[C@H](CO)C(C)C 439915599 OXAUZSOMOIUVEX-HXUWFJFHSA-N 431.489 4.053 5 20 IIBD O=C(Nc1ccc(OC2CCCCC2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 440898339 DNKVFNMISMISSC-UHFFFAOYSA-N 449.410 4.485 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 443964209 VOSQTHTXPKVHDJ-UHFFFAOYSA-N 430.892 4.245 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(-c3cc4ccccc4n3Cc3ccccc3F)n2)n1C 445616194 PGPUELCDDMGQLI-UHFFFAOYSA-N 432.415 4.496 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@H]1CCOc2ccc(Br)cc21 445887015 FDOKYAWNIOIDFZ-SFHVURJKSA-N 448.317 4.450 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1 446095282 LYQYKBLLQBARHY-UHFFFAOYSA-N 428.452 4.052 5 20 IIBD Cc1ccc2nc([C@H]3CCCN3C(=O)Cc3ccc([N+](=O)[O-])cc3Br)[nH]c2c1 446104062 HWUPROZRLWYBCT-GOSISDBHSA-N 443.301 4.448 5 20 IIBD O=[N+]([O-])c1ccccc1-c1ccc(CNc2cnn(Cc3nnc4n3CCCC4)c2)s1 447066746 HECNAXBYWMBQJP-UHFFFAOYSA-N 435.513 4.108 5 20 IIBD CC(C)COC[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccco1 462264605 YTDNZMQPGRMJGW-ZDUSSCGKSA-N 437.301 4.187 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 462520038 ZTOIPWPYGMIRBD-JKSUJKDBSA-N 449.287 4.239 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 463608587 CFSLJJGAEVQWFW-UHFFFAOYSA-N 445.401 4.419 5 20 IIBD NC(=O)Cc1csc(NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])n1 464554371 WHJSKVIWUYCWOH-UHFFFAOYSA-N 448.913 4.136 5 20 IIBD COc1ccc(CCN(CC(C)(C)C)C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 465117391 CATYKGLTMHJAFJ-UHFFFAOYSA-N 442.512 4.035 5 20 IIBD CCOc1cc(C(=O)N2CCCc3c([nH]c4c(F)cccc34)C2)c([N+](=O)[O-])cc1OC 467794338 GLLLLAQCMSYZDL-UHFFFAOYSA-N 427.432 4.211 5 20 IIBD CCc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)o1 469464431 IZHKBITWHNQDOP-SFHVURJKSA-N 439.468 4.161 5 20 IIBD C[C@@H](Cc1ccccc1Br)NC(=O)c1ccc([N+](=O)[O-])cc1Br 470746050 MOYLZJBLYUMCIN-JTQLQIEISA-N 442.107 4.481 5 20 IIBD O=c1c(Br)cc([N+](=O)[O-])cn1CCCCOc1ccccc1C(F)(F)F 474332606 QCMQACNXPOPJBG-UHFFFAOYSA-N 435.196 4.397 5 20 IIBD Cc1c(NC(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)cccc1[N+](=O)[O-] 474562426 QBQNLTRSDQKTKU-UHFFFAOYSA-N 447.333 4.452 5 20 IIBD CCCCCNC(=O)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 475204995 IOAFKHPPBUCGLR-UHFFFAOYSA-N 430.427 4.164 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)CC1 478646147 ZHIDCKGSHWDWDY-UHFFFAOYSA-N 447.944 4.106 5 20 IIBD COc1cc(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)cc([N+](=O)[O-])c1C 480038507 FHRYSIBQMZHTCV-UHFFFAOYSA-N 431.876 4.444 5 20 IIBD COC(=O)[C@](C)(NC(=O)c1cccc(SC)c1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 486588942 UEAHHZHUYUIUOV-GOSISDBHSA-N 443.308 4.442 5 20 IIBD O=C(COc1ccc(Oc2ccccn2)cc1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 486741205 XWMSJZFIAADFTH-UHFFFAOYSA-N 447.369 4.496 5 20 IIBD Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1 486797410 ASRHILRMVMNHSC-UHFFFAOYSA-N 445.483 4.219 5 20 IIBD CSc1ccc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)o1 487417280 DRUGSMYBYONASB-UHFFFAOYSA-N 447.494 4.271 5 20 IIBD CN(Cc1ccc([S@](C)=O)cc1)c1c([N+](=O)[O-])cnc2ccc(Br)cc12 487642529 RICWVIUBFNPXLP-SANMLTNESA-N 434.315 4.279 5 20 IIBD C[C@@H](C(=O)N[C@H](C)c1ccc(Cl)cc1Cl)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 488968573 AIUJAOWFXVZQKQ-OLZOCXBDSA-N 440.331 4.001 5 20 IIBD CC(C)CCn1ncc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)c1C(C)C 490572902 SSSOFTXYYBJQPH-UHFFFAOYSA-N 429.521 4.050 5 20 IIBD CC[C@H]1Oc2cc([C@H](C)NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)ccc2NC1=O 491313034 RTQNYEGHIDNGLA-VBKZILBWSA-N 438.484 4.140 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cc2cc([N+](=O)[O-])ccc2o1 491419186 AUOQYVKPVHQNRR-UHFFFAOYSA-N 437.433 4.394 5 20 IIBD CC(C)C(=O)N(C)Cc1ccc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 498153242 NOJRNMNOYVXMAJ-QFIPXVFZSA-N 427.526 4.097 5 20 IIBD Cc1ccc2nc(CSCC(=O)N3CCS[C@@H]3c3ccc([N+](=O)[O-])cc3)cn2c1 498159562 POERBFHGADYVDI-HXUWFJFHSA-N 428.539 4.058 5 20 IIBD O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 499260111 GEYRHUUDTBVFOJ-UHFFFAOYSA-N 439.325 4.165 5 20 IIBD Cc1cc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)ccc1NC(=O)c1ccco1 501134910 QXAXJNZTMIXKCM-UHFFFAOYSA-N 449.467 4.103 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CC[C@H](Oc2ccccc2Cl)C1 502271084 FBOWDFIZYNROMO-ZDUSSCGKSA-N 444.793 4.483 5 20 IIBD COc1cc(C(=O)N[C@@H]2CCc3cc(F)ccc32)c([N+](=O)[O-])cc1OCc1cscn1 502741747 PZXIVLWUSWZQGO-QGZVFWFLSA-N 443.456 4.195 5 20 IIBD COc1ccccc1[C@H]1CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CCN1 505566842 SXHDJQLCCZIHSP-JOCHJYFZSA-N 446.507 4.002 5 20 IIBD CC1(C)CN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C[C@](C)(C(F)(F)F)O1 505781495 IZDDHBJDHPAGKQ-OAHLLOKOSA-N 444.328 4.108 5 20 IIBD CNC(=O)c1ccc(CN(C)Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])cc1 506149905 GIAULJUUZSNDRN-UHFFFAOYSA-N 449.507 4.174 5 20 IIBD COc1ccc(Br)cc1[C@@H]1CCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] 507197799 SGBHDWBRDQQOEB-INIZCTEOSA-N 434.290 4.142 5 20 IIBD O=C(Nc1ccccc1)N1CC[C@H](Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 509428373 FFPIYONNCZBRNU-LBPRGKRZSA-N 445.348 4.362 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 510859782 GFKAWRUOSPHXRE-UHFFFAOYSA-N 431.399 4.320 5 20 IIBD O=C(c1cn(-c2ccc(Cl)cc2)nn1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 514567348 CMJRIYWWUSRPDL-UHFFFAOYSA-N 439.781 4.034 5 20 IIBD CC(C)(C)c1ncc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)s1 516319383 LSDBRKUMJORPKA-UHFFFAOYSA-N 442.463 4.330 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(-c2ccnc(N3CCCC3)c2)no1 517056221 VYNZHKMXDGQEBO-UHFFFAOYSA-N 430.262 4.378 5 20 IIBD Cn1cnnc1Sc1ccc(-c2nc(Cc3ccccc3Cl)no2)cc1[N+](=O)[O-] 517629413 FUVITXRSNSPUPA-UHFFFAOYSA-N 428.861 4.169 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccc(-c3nc[nH]n3)cc2)cc1[N+](=O)[O-])c1ccccn1 518425351 NSRIDNYCOMLAQD-CQSZACIVSA-N 429.440 4.200 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(OCc2sccc2Br)c([N+](=O)[O-])c1 518788525 IBDAQMFEMDFOMB-UHFFFAOYSA-N 449.348 4.028 5 20 IIBD CCOC(=O)C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(F)cc1 518929268 DAZVWXYPNXBCTQ-NRFANRHFSA-N 446.478 4.105 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 520097865 HRJVMJYEIUQBAA-KRWDZBQOSA-N 436.493 4.371 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(NC(=O)C4CC4)nc3)cc2[N+](=O)[O-])C1 521801309 ZLTKGBJNKLHXBU-HUUCEWRRSA-N 437.500 4.073 5 20 IIBD CSc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)nc1 522551366 CXXJLALHYPYSRB-UHFFFAOYSA-N 436.493 4.261 5 20 IIBD CCN(CC)CCn1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)nc2ccccc21 522738526 GQMTVYGDDYPIDO-UHFFFAOYSA-N 429.908 4.121 5 20 IIBD CC[C@@H](C)NC(=O)CCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 522859888 FSDGCWBVSPOKTB-CYBMUJFWSA-N 435.933 4.434 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc3cccnc23)ccc1[N+](=O)[O-] 523223447 COYVLUIBMYXZPN-LJQANCHMSA-N 438.871 4.348 5 20 IIBD Cc1ccc(C[C@@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c2ccccn2)cc1 523713010 PDXAIWLUBKZOJO-HSZRJFAPSA-N 427.464 4.198 5 20 IIBD COc1cc(C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)c([N+](=O)[O-])cc1OC(F)F 523811551 NVTBJTSUNNVWHE-AWEZNQCLSA-N 449.454 4.160 5 20 IIBD Cc1nn(-c2ccccc2)c2nc(C(=O)Nc3cc(-c4cccc([N+](=O)[O-])c4)[nH]n3)ccc12 523832534 ZZRBZQDYKSVYOR-UHFFFAOYSA-N 439.435 4.280 5 20 IIBD Cc1cccc(NCCNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)n1 531299815 CNBMXRPKFSLAAV-UHFFFAOYSA-N 429.527 4.056 5 20 IIBD Cc1ccc([C@@H](C)N[C@@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)cc1[N+](=O)[O-] 531443679 JJSREEWJGSKKCH-MZNJEOGPSA-N 447.491 4.340 5 20 IIBD CNC(=O)c1ccc(C)c(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c1 532890482 PSYDHVDODJWYLY-UHFFFAOYSA-N 435.480 4.463 5 20 IIBD Cc1nc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Br)cc2s1 533464550 WIVHYRASMARBHS-UHFFFAOYSA-N 428.289 4.076 5 20 IIBD O=C(N[C@H]1CCO[C@]2(CCOC2)C1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 536567901 SRDJSRPXPYPAQV-HRAATJIYSA-N 432.860 4.108 5 20 IIBD NS(=O)(=O)c1c(N[C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)cccc1[N+](=O)[O-] 536645584 OWAYCIDSUKKNAT-JSGCOSHPSA-N 429.420 4.009 5 20 IIBD CCOc1ccc(C2(CNC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)CCOCC2)cc1 536688336 SIGCGWFGKUDTKA-UHFFFAOYSA-N 426.513 4.397 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1cc(F)c(Br)c(F)c1 536990086 LZHMJYYDQULYNB-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 540780687 NCMTWNJRYPETTO-MOPGFXCFSA-N 449.429 4.186 5 20 IIBD O=C1NCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1c1ccccc1Cl 542482375 LUZFKKZXEDEZQI-GOSISDBHSA-N 428.901 4.045 5 20 IIBD COc1ccc(I)c(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c1 543553692 TXFNVZXUJQXJHF-SECBINFHSA-N 444.200 4.089 5 20 IIBD COCC[C@H](Cc1cccc(Br)c1)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 543858388 PANQZQHUUWPTAJ-CQSZACIVSA-N 437.290 4.200 5 20 IIBD COc1ccc(Br)c(Cc2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)c1 545786900 RSQNOTREAURIEW-UHFFFAOYSA-N 443.257 4.412 5 20 IIBD CCOc1ccc(-c2noc(CCC(=O)Nc3cc([N+](=O)[O-])ccc3OCC)n2)cc1 545958515 GJTAIMSRFDSZKI-UHFFFAOYSA-N 426.429 4.014 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl 546795239 KGTRGEATUFNJCL-UHFFFAOYSA-N 441.296 4.088 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(-c2nc(Cc3ccc(C(F)(F)F)cn3)no2)c1 547009200 XASHDKDITMDSSU-UHFFFAOYSA-N 429.152 4.412 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCc3cc(-c4ccccc4)on3)cc2)c(C)c1[N+](=O)[O-] 549365067 RDGPMYORLNRLNN-UHFFFAOYSA-N 431.452 4.041 5 20 IIBD COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1OC[C@@H](O)COc1cccc2ccccc12 550175470 WDNGETIRMKHKNC-HNNXBMFYSA-N 431.828 4.007 5 20 IIBD Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 551767807 FUDHROODHAJODD-CTNGQTDRSA-N 439.512 4.176 5 20 IIBD O=C(NCc1ccncc1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1Br 552712033 GICKAQRQOIMDPK-UHFFFAOYSA-N 442.269 4.261 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 553776176 ZLFGMNMLPLLMNW-SWLSCSKDSA-N 426.416 4.255 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]1c1ccc(Br)cn1 555512261 YIJHOKGWCGLLNG-GOSISDBHSA-N 433.306 4.226 5 20 IIBD COc1cc(CNc2ccc3ccn(C)c(=O)c3c2)c([N+](=O)[O-])cc1OCC(F)(F)F 556410745 XAFSRRHESRIEAK-UHFFFAOYSA-N 437.374 4.009 5 20 IIBD O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 559703714 MYLDKSYYLRBBEE-UHFFFAOYSA-N 440.765 4.290 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)c1Br 563261745 HYTBNGLQTRYIDW-WCQYABFASA-N 438.282 4.027 5 20 IIBD CC(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 567712136 LWBOMPPGALGXSL-HXUWFJFHSA-N 443.454 4.365 5 20 IIBD Cc1ccc([C@@H](c2noc(-c3ccc(N4C(=O)CCC4=O)c([N+](=O)[O-])c3)n2)C(C)C)cc1 568327037 HVNUTJLWKDSSKN-NRFANRHFSA-N 434.452 4.395 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 577250983 PUGWBJWTGMDATF-HNNXBMFYSA-N 438.509 4.112 5 20 IIBD O=C(c1ccc(C(=O)N2CCc3ccc(F)cc32)c([N+](=O)[O-])c1)N1CCc2ccc(F)cc21 579968694 QDOGSZGHOXMOBW-UHFFFAOYSA-N 449.413 4.279 5 20 IIBD C[C@@H](C(=O)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 583730174 ZPLGHPQMKNSZNB-CQSZACIVSA-N 443.456 4.277 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 587803022 ROOKTYLJKPHFIW-VLQPXKRTSA-N 430.888 4.047 5 20 IIBD COC(=O)C[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc2ccccc12 588789104 QZMNEMWWIYRQPP-JOCHJYFZSA-N 431.448 4.192 5 20 IIBD CC(C)(C)c1ccc(Oc2ccc([C@@H]3NC(=O)[C@H]4CSCCN43)cc2[N+](=O)[O-])cc1 602757621 NSKDYLHTXHQTSJ-UYAOXDASSA-N 427.526 4.230 5 20 IIBD COc1cc(C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)ccc1[N+](=O)[O-] 604572746 AXODCYNKMZHRGW-UHFFFAOYSA-N 430.258 4.046 5 20 IIBD Cc1ccccc1NC(=O)[C@H]1CCc2ccccc2N1C(=O)Cc1ccccc1[N+](=O)[O-] 608799686 ALUCIPPFPWSTRY-HSZRJFAPSA-N 429.476 4.432 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3C)cc1[N+](=O)[O-])c1ccccn1 609185647 FEDHJUVEKWRHHL-OAHLLOKOSA-N 445.479 4.324 5 20 IIBD C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 609599763 CKCQNLDPDOHBIC-CQSZACIVSA-N 435.509 4.205 5 20 IIBD CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cc1I)c1cccc(F)c1 609817446 YIYRBTTZJJXKLH-UHFFFAOYSA-N 442.228 4.046 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H](C)c1c(Cl)cccc1Cl 609847783 JIHIUQDMWQOOCC-IINYFYTJSA-N 428.320 4.054 5 20 IIBD O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F 610117345 XGVFWJBWHZSABK-UHFFFAOYSA-N 428.314 4.103 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)c1 612599700 NURHKJRNEIFXAO-UHFFFAOYSA-N 440.403 4.217 5 20 IIBD COc1cc(CCc2cc(NC(=O)c3cccc(SC)c3[N+](=O)[O-])n[nH]2)cc(OC)c1 614445444 BYAGYVGCIZQJIK-UHFFFAOYSA-N 442.497 4.095 5 20 IIBD CCOc1cc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c([N+](=O)[O-])cc1OCC 619212736 JBNVPHILPLNNIH-KRWDZBQOSA-N 430.457 4.202 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)Nc1cc(Cl)ccc1F 725984313 AKUFDDRZCNHZDN-MRVPVSSYSA-N 445.628 4.334 5 20 IIBD O=C(OCc1cccc(C(=O)N2CCCCC2)c1)c1cc([N+](=O)[O-])ccc1Br 725986385 VJLLBLMHEZSQFY-UHFFFAOYSA-N 447.285 4.340 5 20 IIBD Cc1nc(-c2ccco2)ccc1C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 726233363 YUKWBJCSJJZVCT-LBPRGKRZSA-N 429.816 4.396 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N1CC[C@H](N2CCCC2)C1 727160187 WYNSLAJODXPKLO-RXVVDRJESA-N 428.920 4.098 5 20 IIBD COc1ccc(CC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] 727661618 BDKJLMQVLZZTOR-INIZCTEOSA-N 433.464 4.276 5 20 IIBD COc1ccc(-c2nsc(NC(=O)c3cc([N+](=O)[O-])ccc3Br)n2)cc1 728484832 RNSDJFOCYFUYJX-UHFFFAOYSA-N 435.259 4.137 5 20 IIBD Cc1ccc2c(Cl)c(C(=O)OCC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)sc2c1 729729674 WXYAGRJONPVMLY-UHFFFAOYSA-N 448.840 4.296 5 20 IIBD O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 731578654 NIWGDHFWXUBDJY-RCRDTURJSA-N 445.317 4.453 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1Sc1nnc(-c2ccccc2)s1 732042931 NLZHVMPKPIRLDZ-UHFFFAOYSA-N 429.451 4.261 5 20 IIBD O=C(OCc1c(F)cccc1[N+](=O)[O-])[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 733532366 VOUYWRNYRMGMIQ-IBGZPJMESA-N 426.366 4.232 5 20 IIBD CC[C@@H](C)c1ccc(C(=O)COC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 733558545 LCQHZCXJIVHNLO-PBHICJAKSA-N 444.509 4.201 5 20 IIBD O=C(COC(=O)c1csc(Cc2ccccc2F)n1)Nc1ccc([N+](=O)[O-])cc1Cl 735558718 QYKWAKIGCXBBJJ-UHFFFAOYSA-N 449.847 4.230 5 20 IIBD Cc1ccc2nc(COc3ccccc3C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)cn2c1 741341475 CCVKARNTJCPIDF-UHFFFAOYSA-N 445.431 4.170 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 742514238 FMSQLHUQGPICMG-NHHWLVAYSA-N 429.517 4.246 5 20 IIBD CCOc1cc(N2CCC(OC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)CC2)ccc1[N+](=O)[O-] 744204495 ODXCZHVCCWSTHA-YHYXMXQVSA-N 441.440 4.127 5 20 IIBD C[C@@H](CC(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)c1cccc(F)c1 746084938 AHZNDDRKFHRAPD-NWDGAFQWSA-N 436.823 4.167 5 20 IIBD CCc1ccc(C(=O)N2CCC([C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] 746592806 GXSDVVVHOLWMFM-IBGZPJMESA-N 431.533 4.409 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 747139096 JRZVMVKYVRQDMV-FQEVSTJZSA-N 430.382 4.491 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)C(=O)c1ccc(F)cc1F 751691514 JEJVVKGUJSOJIY-SSDOTTSWSA-N 432.148 4.203 5 20 IIBD CC(=O)N1C[C@H](C(=O)OCc2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)Oc2ccccc21 752219709 YACZKCYRMCRUSE-HSZRJFAPSA-N 448.431 4.244 5 20 IIBD CC(C)C(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cc1 754984841 GEDUBPQESCEOSS-NSHDSACASA-N 436.823 4.410 5 20 IIBD CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 756018121 LEZZDOCMKGCATC-JOCHJYFZSA-N 429.492 4.166 5 20 IIBD COc1cc(C=O)c(Br)cc1OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760311675 DJRIMJDNRPDZAP-UHFFFAOYSA-N 433.214 4.412 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c1F 760342646 IGIYFJHNTSLXTF-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)OCCc3ccccc3[N+](=O)[O-])cc2)cc1 762710077 GGSHJIZZUZPCNY-UHFFFAOYSA-N 439.489 4.277 5 20 IIBD COc1cc(COC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c([N+](=O)[O-])cc1OC(F)F 763720140 AFKJWZMYKCQNHY-UHFFFAOYSA-N 432.719 4.123 5 20 IIBD O=C(Nc1cc(Br)ccc1N1CCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 764050134 HUZCSNUYOLXRCW-UHFFFAOYSA-N 435.234 4.118 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)c2ncccc12 766484055 HMKVFEPBTYYDAF-UHFFFAOYSA-N 436.493 4.193 5 20 IIBD COc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)NCCc2ccccc2[N+](=O)[O-])c1 767047566 JSKPEWQQAXKRSK-XMMPIXPASA-N 449.507 4.091 5 20 IIBD Cn1cc(C(=O)NC[C@H](O)c2ccc(-c3ccccc3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 768568541 LRTBBGMEMCIPGX-QHCPKHFHSA-N 442.475 4.126 5 20 IIBD CN(CCC1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1)C(=O)OC(C)(C)C 769761148 ZCZRMNRFCRKWMD-UHFFFAOYSA-N 444.532 4.114 5 20 IIBD CCOC(=O)N1CC[C@@H](NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 770094352 NYLAWRINCGNPJL-OAHLLOKOSA-N 433.848 4.001 5 20 IIBD CC(C)([C@@H](OC(=O)c1ccc2nccnc2c1)c1ccc(Br)cc1)[N+](=O)[O-] 774367255 GGKQVSNSCWCHOO-KRWDZBQOSA-N 430.258 4.346 5 20 IIBD O=[N+]([O-])c1cccc(-c2csc(NS(=O)(=O)C3=Cc4ccccc4OCC3)n2)c1 775139913 OGWTZNHHCGAPMT-UHFFFAOYSA-N 429.479 4.284 5 20 IIBD Cc1nn(C)c2nc(C3CC3)cc(C(=O)O[C@H](c3cccnc3)c3ccccc3[N+](=O)[O-])c12 776217100 FKZWPDXFGVIGBU-JOCHJYFZSA-N 443.463 4.404 5 20 IIBD COc1ccc(NC(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)cc1[N+](=O)[O-] 782628086 YPRCINVJXJPFNW-GOSISDBHSA-N 427.482 4.433 5 20 IIBD Cc1c(C(=O)O[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 782985819 KDRVHOFALFXEIW-SNVBAGLBSA-N 432.776 4.433 5 20 IIBD C[C@@H](OC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1cn(-c2ccccc2)nn1 784837788 KKGLYFNYXRBDBS-CYBMUJFWSA-N 446.413 4.458 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)cc1SC 789046162 KAYUUZHWTBCLID-QGZVFWFLSA-N 444.509 4.213 5 20 IIBD CC(C)(C)C(=O)NC1CCC(C(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])CC1 789468890 JOCPVILZUOTQOG-IAYYMHMVSA-N 439.512 4.344 5 20 IIBD CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 791143309 SNNSVZPSBYNDKL-WMZOPIPTSA-N 447.677 4.353 5 20 IIBD COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 792969933 QTNWGKNYICBVOQ-HXUWFJFHSA-N 439.512 4.375 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)Cc1ccc(Br)cc1 795590145 DBUPIZJZFPHDBE-UHFFFAOYSA-N 430.613 4.118 5 20 IIBD O=[N+]([O-])c1ccc(F)cc1OS(=O)(=O)c1cc(C(F)(F)F)ccc1Br 798423356 YRQNWAZHIPXDNO-UHFFFAOYSA-N 444.156 4.283 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 800012824 LUTKTHQCLHMSGL-RBUKOAKNSA-N 426.473 4.119 5 20 IIBD COc1cc(OC)cc(C2(F)CCN(c3ccc([N+](=O)[O-])cc3N3CCOC3=O)CC2)c1 801672323 AXVKGQZSPBORHH-UHFFFAOYSA-N 445.447 4.034 5 20 IIBD COc1cc(OC)c(-c2noc(-c3cc([N+](=O)[O-])ccc3N3CCCCC3)n2)cc1OC 809255670 IZJJJOFMCHYFBS-UHFFFAOYSA-N 440.456 4.328 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O 809913585 OQXMWSAOQNVAFV-ZDUSSCGKSA-N 442.781 4.194 5 20 IIBD O=[N+]([O-])c1ccc(N2CCOCC2)c(-c2nc(-c3cc(Br)ccc3F)no2)c1 815699017 HTBJGRSUEJFKDY-UHFFFAOYSA-N 449.236 4.050 5 20 IIBD CC(=O)NCc1ccc(-c2nc(NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)sc2C)s1 914612128 VCNWIGJETUGHTE-YHYXMXQVSA-N 442.522 4.376 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)OCc1csc(COc2ccc(Cl)cc2)n1 914909589 XBYRZJWULDBGRY-UHFFFAOYSA-N 434.857 4.406 5 20 IIBD C[C@H](OC(=O)/C=C\c1ccccc1OC(F)(F)F)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 914941226 LVDJDMDMOVJTHE-WDDYJBPVSA-N 442.321 4.216 5 20 IIBD O=C(N[C@@H](c1ccccc1)c1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 916642115 JIWFDHLPZBTDAN-QHCPKHFHSA-N 434.471 4.355 5 20 IIBD Cc1ccc([C@H]2CCCN2S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])cc1 917874625 AIWRKHAEXHTBLK-OAHLLOKOSA-N 425.304 4.192 5 20 IIBD Cc1nn(-c2ccccc2Cl)c2sc(C(=O)OCCn3c([N+](=O)[O-])cnc3C)cc12 917943154 GZURBDWALMDRSW-UHFFFAOYSA-N 445.888 4.319 5 20 IIBD O=C(CN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] 918741179 UGRJVQQGBUBUCZ-IUCAKERBSA-N 433.736 4.249 5 20 IIBD C[C@H](OC(=O)c1ccc(Oc2ccccc2)nc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 919385283 HOTGEASOPNJVHZ-ZDUSSCGKSA-N 425.372 4.105 5 20 IIBD CC(C)CNC(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 919745195 ZOQWASPUMGCGJY-UHFFFAOYSA-N 425.485 4.012 5 20 IIBD Cc1nnnn1/C(=C\c1cccc(F)c1)C(=O)Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-] 920330424 DDSAKRNIABPJKW-BKUYFWCQSA-N 445.410 4.300 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@H](C)c1ncc(-c2ccc(Cl)c(Cl)c2)o1 1319414004 XLCUERHSNRKAOD-SECBINFHSA-N 425.228 4.366 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCCc1nc(Cc2ccccc2)no1 1336902771 FXVRPNDXYVSLJL-UHFFFAOYSA-N 443.332 4.272 5 20 IIBD CC(C)(F)C(=O)NC1(c2ccc(NC(=O)Cc3cc([N+](=O)[O-])ccc3F)cc2)CCC1 1786671134 KKPKFVAEBXQOPE-UHFFFAOYSA-N 431.439 4.159 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)CCC1)c1ccccc1Cl 1789689348 JCEOKXGBJYQMNS-UHFFFAOYSA-N 439.859 4.033 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(C2(NC(=O)[C@H]3CCC=CO3)CCC2)cc1 1792317808 OYDQVVRXFVIBAZ-UBLKFNIESA-N 447.491 4.435 5 20 IIBD Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccccc2[N+](=O)[O-])c(F)c1 1804345754 YUCIUAJSECUIPL-AGDBNRHRSA-N 437.471 4.008 5 20 IIBD O=C(c1ccc(-c2ccccc2)c(F)c1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc([N+](=O)[O-])o1 1847170251 UTIUJMJSJXJMGR-PMACEKPBSA-N 449.438 4.123 5 20 IIBD C[C@H](OC(=O)c1ccc(C2SCCS2)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 9792601 IHRFBPJPCXWWTM-NSHDSACASA-N 436.486 4.397 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCc1nnc(-c2ccc(Br)cc2)o1 10758799 XROWISGDBRPBRX-XCVCLJGOSA-N 430.214 4.164 5 20 IIBD CSc1cccc(NC(=O)COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 11276422 HAYXYOYWWHMDME-UHFFFAOYSA-N 432.501 4.059 5 20 IIBD C[C@H](OC(=O)c1cc(Cl)c(Cl)[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 11809740 IEDWMSIFVIXJQA-LURJTMIESA-N 440.161 4.433 5 20 IIBD C[C@H](OC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 12259400 MNHKPLMOQZCLOJ-ZDUSSCGKSA-N 443.843 4.406 5 20 IIBD CC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2ccc([N+](=O)[O-])cc2)cc1 14354157 RTUNWZZPUANEMH-UHFFFAOYSA-N 442.468 4.328 5 20 IIBD Cc1cccc(-c2nc(CC(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)cs2)c1 17229670 VIYUJADZTIOPOU-UHFFFAOYSA-N 425.466 4.060 5 20 IIBD C[C@H](Sc1nnc(-c2ccccc2F)n1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 17655598 QOHCJSGCEWBYEE-NSHDSACASA-N 426.433 4.433 5 20 IIBD NC1=Nc2nc3ccccc3n2[C@@H](c2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)N1 18053680 RNQOXPJOXLCWKT-IBGZPJMESA-N 434.843 4.487 5 20 IIBD O=Cc1ccc(OCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)c([N+](=O)[O-])c1 24635555 DVFVYYIEBDIRNY-MRXNPFEDSA-N 441.490 4.287 5 20 IIBD O=C(CSc1nnc(C2CC2)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl 28827472 WIZXDTINKSNUPM-UHFFFAOYSA-N 429.889 4.437 5 20 IIBD Cc1cccc(N2CCN(Cc3ccc(NC(=O)Cc4ccc([N+](=O)[O-])cc4)cc3)CC2)c1 29417658 XFJCOLUULZQDNV-UHFFFAOYSA-N 444.535 4.407 5 20 IIBD COCCN(C(=O)c1cc(OC)ccc1OC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 58998630 FYSSXCNYHYZNBT-UHFFFAOYSA-N 443.481 4.029 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1[N+](=O)[O-])c1ccccn1 64671629 RNRBMACLSMEEJH-HNNXBMFYSA-N 425.533 4.202 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2NC(C)=O)cc([N+](=O)[O-])c1 64827964 AUKJWYIZPRBJGA-UHFFFAOYSA-N 439.346 4.001 5 20 IIBD CCOc1cc(C(=O)N[C@H](c2nc3ccccc3[nH]2)[C@@H](C)CC)c([N+](=O)[O-])cc1OC 71937722 YCSHNGGVXYZPOO-RBZFPXEDSA-N 426.473 4.396 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)cc1[N+](=O)[O-] 72035781 KZUBBAMCZLIGHM-KRWDZBQOSA-N 436.877 4.085 5 20 IIBD Cc1cccc(OCc2nnc(SCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)o2)c1 104500910 CKZXVOHEYGSSAM-UHFFFAOYSA-N 425.426 4.208 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)CCCc1cc(-c2ccccc2)no1 110305693 QGPFWNCZCGPNPL-INIZCTEOSA-N 438.484 4.150 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cccc(OCc2cn3ccccc3n2)c1 111031504 FQIMMXPVLBXPDY-UHFFFAOYSA-N 441.447 4.415 5 20 IIBD Cc1ccc(OCc2nc(CN3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)cs2)cc1 237944412 ATQXWVQKRUUICV-INIZCTEOSA-N 425.514 4.020 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(CNc3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2)C[C@@H](C)O1 301114673 LNNNBNBAPNXWOM-ZIAGYGMSSA-N 437.418 4.475 5 20 IIBD CNS(=O)(=O)c1ccc(N[C@H](c2ccc(Cl)cc2)c2cccs2)c([N+](=O)[O-])c1 301277485 PDABQZPTAPSMRF-GOSISDBHSA-N 437.930 4.419 5 20 IIBD Cc1cc(NCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c2cccc([N+](=O)[O-])c2n1 302016286 LTRRRZYVRBKTGY-IAGOWNOFSA-N 434.496 4.313 5 20 IIBD C[C@H]1C[C@H](C)CN(Cc2ccccc2CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 302611391 FAALXBZTICFTCF-IRXDYDNUSA-N 431.558 4.088 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCO[C@H](CCc2ccccc2)C1 426283406 NYCDIGOTQSQFOV-LJQANCHMSA-N 437.418 4.157 5 20 IIBD Cc1nc(C)n(Cc2cccc(NC(=O)c3ccc(N4CCC[C@@H](C)C4)c([N+](=O)[O-])c3)c2)n1 427127597 GJFJFVWVWZEQSL-MRXNPFEDSA-N 448.527 4.340 5 20 IIBD Cc1cccc(CN(Cc2ccccn2)C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c1 428018466 UZKXZXHIGRPDHU-UHFFFAOYSA-N 442.475 4.454 5 20 IIBD Cc1noc(C[C@@H](NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c2ccccc2)n1 429518036 LESUGCIQRZSUSX-HXUWFJFHSA-N 449.511 4.236 5 20 IIBD CC(=O)N(Cc1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1)C(C)C 430592180 PPFDRKZCUXYOPO-UHFFFAOYSA-N 434.290 4.367 5 20 IIBD CC(C)CCN1CCC(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC1 430894946 QUCHKLHZDFLAHE-UHFFFAOYSA-N 431.455 4.024 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 435946180 WVIDBSFXGQKTTL-GOSISDBHSA-N 441.535 4.019 5 20 IIBD Cc1nn([C@H](C)C(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)cc1[N+](=O)[O-] 436473041 CTDPWNWJYINMFM-DYVFJYSZSA-N 427.848 4.285 5 20 IIBD CCOc1cc(-c2noc(-c3ccc(OC)c([N+](=O)[O-])c3)n2)cc(Br)c1O 436778840 UBKVYRCZGOQKJQ-UHFFFAOYSA-N 436.218 4.187 5 20 IIBD O=C(NC[C@@H](CO)Cc1ccccc1OC(F)(F)F)Nc1ccc([N+](=O)[O-])cc1Cl 437576821 IQSGTAMUVNXGIU-NSHDSACASA-N 447.797 4.120 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCCc3c(NC(C)=O)ccc(C)c32)cc1SC 438967164 VVYYKLPJPMOQAB-UHFFFAOYSA-N 429.498 4.185 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCO[C@@]3(C[C@H]4CC[C@H]3C4)C2)cc1[N+](=O)[O-])c1ccccn1 440907497 KUVBAJJUIUFQBZ-ANEIOGAWSA-N 436.512 4.194 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c(Cl)c1 441542951 PXTIWOMNWVFMPY-OAHLLOKOSA-N 441.296 4.304 5 20 IIBD CN(C)Cc1ccc(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1F 444295333 DYCJFAOIRPREBO-UHFFFAOYSA-N 439.437 4.090 5 20 IIBD Cc1nn(Cc2ccc(-c3nc(-c4cnn(-c5ccccc5)c4)no3)cc2)c(C)c1[N+](=O)[O-] 445439153 BDGOUUOAYYMPIV-UHFFFAOYSA-N 441.451 4.359 5 20 IIBD C[C@H](NC(=O)Cc1noc(Cc2cccc([N+](=O)[O-])c2)n1)c1ccc(Cl)cc1Cl 445741037 KYDUCYSBAYAMRW-NSHDSACASA-N 435.267 4.295 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3ccc(OC(F)F)cn3)cc2[N+](=O)[O-])C1 446575074 HVWWEOOPFFQVCL-OKILXGFUSA-N 434.443 4.004 5 20 IIBD O=[N+]([O-])c1ccc2nc(CNCc3cn(Cc4ccccc4)nc3-c3cccnc3)[nH]c2c1 446840019 DCVUCHNHRMHPMM-UHFFFAOYSA-N 439.479 4.068 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(CCO)Cc1ccc(Cl)c(Cl)c1 460211674 LNMUYVGPBQAADT-UHFFFAOYSA-N 436.299 4.179 5 20 IIBD O=C(c1ccc(OCC(F)(F)C(F)F)nc1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 460349820 IWYMWACIYNZPKC-INIZCTEOSA-N 445.394 4.157 5 20 IIBD CN(Cc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 463667109 FMITVJUOCLOTAU-UHFFFAOYSA-N 426.281 4.271 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC(C)(C)c1ccccc1Br 464039868 BNUYCYLYHXBGOM-UHFFFAOYSA-N 448.317 4.007 5 20 IIBD COc1ccc(S(=O)(=O)N(C)[C@@H](c2ccc(Cl)cc2)C(F)(F)F)cc1[N+](=O)[O-] 464407999 ZWKBSSILRXYKTI-HNNXBMFYSA-N 438.811 4.181 5 20 IIBD O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465716929 HFFAWXRHECAICU-WMZHIEFXSA-N 439.512 4.316 5 20 IIBD Cc1c(-c2cc(COc3c([N+](=O)[O-])cnc4ccc(Br)cc34)on2)cnn1C 466483914 WDIFILXUQAIYCL-UHFFFAOYSA-N 444.245 4.181 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(S(=O)(=O)C(C)(C)C)cc1 468085539 CSRQIPDXARDSMX-LBPRGKRZSA-N 440.905 4.226 5 20 IIBD O=C(Nc1cc(F)cc(F)c1Br)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 468275102 VESASMFJUNGTCA-UHFFFAOYSA-N 426.217 4.488 5 20 IIBD COc1ccc(COCc2cccc(Nc3ccc([N+](=O)[O-])cc3S(C)(=O)=O)c2)cc1 468698723 OMDSWEAMOMPFSW-UHFFFAOYSA-N 442.493 4.467 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 474766896 HLGUSYYVEQSYES-UHFFFAOYSA-N 431.832 4.070 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCc1nc(-c2cc3ccccc3o2)cs1 476215820 FTDHCDAQXKNNMM-UHFFFAOYSA-N 443.506 4.127 5 20 IIBD Cc1nc(C2(NC(=O)c3ccc(N4C[C@@H](C)C[C@H](C)C4)c([N+](=O)[O-])c3)CCCCC2)no1 477674445 HEALLKCXPBLZRO-HOTGVXAUSA-N 441.532 4.358 5 20 IIBD Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)cc2)n1 478531358 SKTGKZNHZBUQCX-IBGZPJMESA-N 447.539 4.491 5 20 IIBD O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCC(c2nnc3n2CCCC3)CC1 479800399 UENHJKLIJUDCSW-UHFFFAOYSA-N 446.511 4.286 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 479807884 TYVKIRKBBIFAJY-INIZCTEOSA-N 447.495 4.213 5 20 IIBD C[C@@H](NC(=O)CSc1nc2ccccc2nc1N1CCCC1)c1cccc([N+](=O)[O-])c1 480503001 XLSWVCJZNXZESW-OAHLLOKOSA-N 437.525 4.108 5 20 IIBD COc1cccc(Cl)c1CNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 480936518 OFZGQURNBJKUAM-UHFFFAOYSA-N 428.876 4.048 5 20 IIBD Cn1c([C@H](NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c2ccccc2)nc2ccccc21 481429312 YIUBEECSZTYDKS-JOCHJYFZSA-N 440.463 4.411 5 20 IIBD CCc1[nH]nc(C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2F)c1[N+](=O)[O-] 485375936 JFYDNBCJMHXHIQ-MRXNPFEDSA-N 447.264 4.301 5 20 IIBD CS(=O)(=O)c1ccc(N2CCC[C@@H]2c2ccc(Br)c(F)c2)c([N+](=O)[O-])c1 485404141 IVEBLXGDQBQFDO-OAHLLOKOSA-N 443.294 4.241 5 20 IIBD CC[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1cc(F)cc(Br)c1 486701383 SRDLRMGFKYKQMH-AWEZNQCLSA-N 438.253 4.011 5 20 IIBD Cc1cc(S(=O)(=O)N2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)ccc1[N+](=O)[O-] 487400973 DLYOGAOKOCPWTI-QGZVFWFLSA-N 442.541 4.402 5 20 IIBD O=C(NCC1(c2cccc(Cl)c2)CCCC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 494362527 BXCURSFNQAGTCT-UHFFFAOYSA-N 431.924 4.303 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cc1C 497541343 LLFKLMRHLWDOQH-INIZCTEOSA-N 431.514 4.027 5 20 IIBD O=C(c1ccc(CN2CCSCC2)cc1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 498147160 OFRAWOTUAFOSPT-OAQYLSRUSA-N 429.567 4.031 5 20 IIBD Cc1ccc(NCCCNC(=O)C(=O)Nc2cc(C(F)F)ccc2Cl)c([N+](=O)[O-])c1 499061088 MIZFXCGDZOPXKS-UHFFFAOYSA-N 440.834 4.051 5 20 IIBD COC(=O)[C@@H](C)NC(=O)c1ccc(N[C@H](C)c2cc3ccccc3s2)c([N+](=O)[O-])c1 501276115 UZFBVIZPBPCJET-CHWSQXEVSA-N 427.482 4.274 5 20 IIBD CS(=O)(=O)c1cc(C(=O)NC2(c3ccc(Cl)cc3)CCCCC2)cc([N+](=O)[O-])c1 505168401 VRYDVQDSGLYIDS-UHFFFAOYSA-N 436.917 4.241 5 20 IIBD Cc1nn(C)c(C(=O)NCc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)c1[N+](=O)[O-] 506196741 ORTSRLIXUAAGED-UHFFFAOYSA-N 434.374 4.378 5 20 IIBD CC[C@@H](C)Oc1cccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1 509036264 IMOATYYRTPPYFS-CYBMUJFWSA-N 427.486 4.304 5 20 IIBD Cc1noc(COc2ccc(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)cc2)n1 510607105 NQHTXEBCAPFWTK-UHFFFAOYSA-N 437.437 4.241 5 20 IIBD COc1ccc(S(=O)(=O)N[C@@H](c2ccc(Cl)cc2)c2ccsc2)c([N+](=O)[O-])c1 512025572 PJUIZZKRFBBXSW-SFHVURJKSA-N 438.914 4.386 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@@H](c3ccco3)N3CCCC3)cc2[N+](=O)[O-])C1 512532027 ZUDNUIKZPIZFOB-SVMVAKDDSA-N 440.544 4.237 5 20 IIBD COc1ccc(NC(C)=O)c(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 512566154 SFTKCMSJLIHXJB-UHFFFAOYSA-N 426.473 4.050 5 20 IIBD CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)N3CCOCC3)c(Cl)c2)cc1[N+](=O)[O-] 515628227 AHYNCFVCYWPNOV-UHFFFAOYSA-N 445.903 4.270 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)ccc2C)c1 516337873 VBCVMOCQRMPUNJ-GASCZTMLSA-N 425.485 4.282 5 20 IIBD O=C(N[C@H]1CCN(C2CC2)C1)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 517403999 INRXAXAKYBJQFN-AWEZNQCLSA-N 440.550 4.322 5 20 IIBD C[S@](=O)CCCNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 518422202 NXTCNZKTPUSMOC-NXVZURFXSA-N 443.550 4.020 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 520223710 PDKAPYKNVQTJAI-UHFFFAOYSA-N 446.872 4.005 5 20 IIBD CCOC(=O)c1c(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)sc2c1CCCC2 520707107 GCHKQCOJYOFXDV-UHFFFAOYSA-N 440.481 4.150 5 20 IIBD COc1cc(OCC(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)ccc1[N+](=O)[O-] 521354281 KYKWRJKNNRWUME-UHFFFAOYSA-N 434.754 4.215 5 20 IIBD CC(=O)Nc1ccc(Br)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl 522747158 PKTGJJAGICUIKP-UHFFFAOYSA-N 426.654 4.150 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1[N+](=O)[O-])c1ccccn1 524697500 DDTHGJZITCEKHS-HNNXBMFYSA-N 445.479 4.307 5 20 IIBD O=C(Nc1cccnc1-c1ccc(Cl)s1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 527342017 AXNLICWHNZGTGK-UHFFFAOYSA-N 426.845 4.205 5 20 IIBD C[C@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1cccc(C(=O)c2ccccc2)c1 536394481 IWYFIOISYLIJNC-LAUBAEHRSA-N 444.491 4.037 5 20 IIBD Cn1ccnc1[C@H]1CCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 536593859 LXVZNCYZIVMFHF-JXFKEZNVSA-N 439.903 4.151 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 537638055 FMJPHZQEMIXVNW-QGZVFWFLSA-N 433.302 4.496 5 20 IIBD COc1cc(C)c([C@@H](C)NCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1OC 539295946 TUKCWYYDCMDENQ-GFCCVEGCSA-N 426.416 4.381 5 20 IIBD COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)cc1[N+](=O)[O-] 541998856 OKFQQRAZHHIORY-UHFFFAOYSA-N 445.431 4.273 5 20 IIBD COc1cc(CN(C)Cc2ncc(C)c(OC)c2C)c([N+](=O)[O-])cc1OCC(F)(F)F 542693815 YYUMRKUVHNNQLE-UHFFFAOYSA-N 443.422 4.197 5 20 IIBD CCc1nn(C)c(OC)c1CNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 543451012 BKXCLPMHLZTOGX-UHFFFAOYSA-N 432.546 4.112 5 20 IIBD O=C(COc1cccc(-c2noc(-c3cc4cc([N+](=O)[O-])ccc4s3)n2)c1)NC1CC1 546380933 FWNFRWUNXDEAQP-UHFFFAOYSA-N 436.449 4.184 5 20 IIBD COc1ccc(CN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C2CC2)c(OC)c1 548974736 RIARYLUWEPWGKL-AWEZNQCLSA-N 429.473 4.453 5 20 IIBD O=C(c1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1)N1CCC(CO)CC1 549682738 SMJFGHGOFWHWNO-UHFFFAOYSA-N 435.480 4.311 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)CSc1nnc(-c2cccs2)n1C1CC1 552272454 QFDIYUKGZDUQMI-UHFFFAOYSA-N 443.554 4.043 5 20 IIBD COc1ccc(S(=O)(=O)N(Cc2ccccc2F)c2ccccc2F)cc1[N+](=O)[O-] 552964675 QBGINBSTKMGULG-UHFFFAOYSA-N 434.420 4.277 5 20 IIBD Cn1cc([C@H]2OCC[C@@H]2c2nc(-c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3)no2)cn1 563749963 HYUMSOXSRJZIEQ-VQTJNVASSA-N 433.424 4.416 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)C1(S(=O)(=O)c2ccccc2)CCCCC1 567786325 TUCPCUVHNIICPC-UHFFFAOYSA-N 439.493 4.258 5 20 IIBD CCC[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1CC)C(=O)N1CCc2sccc2C1 570861645 NRHWYOMYVOAELH-QGZVFWFLSA-N 430.530 4.094 5 20 IIBD O=C(Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2)c1cc2cccc([N+](=O)[O-])c2[nH]1 578462671 YZWLUDZADQHXBG-UHFFFAOYSA-N 440.459 4.460 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(NCc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C[C@H](C)O1 600859551 GHMKZRWDOWHVJD-KBPBESRZSA-N 437.418 4.475 5 20 IIBD Cc1ccc(CN(C(=O)COc2ccccc2[N+](=O)[O-])c2ccc3c(c2)OCCO3)s1 603621332 FFEQZNKITNKTGO-UHFFFAOYSA-N 440.477 4.348 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(C(=O)N(C)C)c3)cc2[N+](=O)[O-])CC1 603623777 QMGUHGAHSFVXCG-UHFFFAOYSA-N 444.919 4.439 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1ccccc1)c1cc2ccccc2o1 603708433 JCJNDGLLFLSQJS-JOCHJYFZSA-N 445.431 4.194 5 20 IIBD CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 603990319 NCTODXQBEACVGT-UHFFFAOYSA-N 438.311 4.459 5 20 IIBD C[C@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1cccc(OCc2ccccn2)c1 604077553 DWZNMVJZHMXMFX-KRWDZBQOSA-N 435.484 4.041 5 20 IIBD CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 604191651 IXAGSXVGZDGNDF-UHFFFAOYSA-N 448.458 4.015 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 608940487 HHPZLNOOMZBCRK-GFCCVEGCSA-N 425.466 4.289 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N2CCc3[nH]c4ccc(Cl)cc4c3C2)c([N+](=O)[O-])c1 609196607 AXLGKZNVLVLYTJ-LBPRGKRZSA-N 428.876 4.123 5 20 IIBD Cc1c(C(=O)Nc2ccc(C(F)(F)C(F)(F)F)cc2)nnn1-c1cccc([N+](=O)[O-])c1 609228524 XKKIWLLMOCOTSM-UHFFFAOYSA-N 441.316 4.390 5 20 IIBD O=[N+]([O-])c1cc2c(c(C[S@@](=O)Cc3ccc(Br)cc3Cl)c1)OCOC2 609281218 WFCVZXFRDPTFRV-VWLOTQADSA-N 446.706 4.326 5 20 IIBD COc1cc(CNCc2cccc(-n3cncn3)c2)c([N+](=O)[O-])cc1OCc1ccccc1 609804987 HXPNSABFHRKZQB-UHFFFAOYSA-N 445.479 4.053 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CCCCC[C@H]2c2ccco2)c1 609917770 QTJYOXINTFSYSS-HNNXBMFYSA-N 429.292 4.256 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(OC(C)(C)C)cc2)ccc1[N+](=O)[O-] 610184153 VRVXGGGNDNEHRA-FQEVSTJZSA-N 425.485 4.324 5 20 IIBD COCCN(Cc1ccc(C)cc1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 610956040 MBZBJFGJQBZVDH-UHFFFAOYSA-N 446.447 4.068 5 20 IIBD COc1cc(CN2CCC([C@@H]3CCOC3)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 612402067 BPMCDUGPBUHERY-OAQYLSRUSA-N 426.513 4.431 5 20 IIBD C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 612610786 QLVJYYRBGILGDQ-ZDUSSCGKSA-N 429.477 4.254 5 20 IIBD O=C(COc1c([N+](=O)[O-])cnc2ccc(Br)cc12)N(C1CCCC1)C1CC1 612660707 OWGCGCYLAIFWGE-UHFFFAOYSA-N 434.290 4.218 5 20 IIBD C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 619578199 CTUVAZSBEQVJMX-OLQIXAPSSA-N 439.350 4.078 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 620492841 NCBVNQGQTBKFHR-KRWDZBQOSA-N 447.485 4.076 5 20 IIBD Cc1c(C(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 727854417 CZSFFGRTCAYHMF-UHFFFAOYSA-N 449.423 4.385 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Oc1ccc(NC(=O)c2sccc2C)cc1 729485570 LWHICJHGROKBTG-UHFFFAOYSA-N 432.479 4.293 5 20 IIBD COc1ccc(/C=C(/Cl)c2nnc(C(=O)NCc3ccc(C)cc3)s2)cc1[N+](=O)[O-] 730149916 MCVJRLACUFHRLY-OQLLNIDSSA-N 444.900 4.430 5 20 IIBD CC(C)c1ccc(C2(C(=O)NS(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)CCCC2)cc1 731136808 WLQXBSNORKCXEV-UHFFFAOYSA-N 430.526 4.176 5 20 IIBD COC(=O)c1cccc(CS(=O)(=O)Oc2ccc([N+](=O)[O-])cc2-c2cccs2)c1 731852079 GPWKWEVPXXKOON-UHFFFAOYSA-N 433.463 4.019 5 20 IIBD COC(=O)c1cc(OS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)ccc1[N+](=O)[O-] 732668081 AGMBCBZSGAYHQB-UHFFFAOYSA-N 440.644 4.109 5 20 IIBD Cc1ccc([C@@H]2CCCCN2C(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cc1 741592238 HYDIEKUPAAICRU-XLIONFOSSA-N 425.460 4.149 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 742559932 YHZIYSUIBCLENH-IBGZPJMESA-N 429.521 4.014 5 20 IIBD O=C(NCc1cccnc1)c1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 744359188 BSXUUHTWFVJTJN-UHFFFAOYSA-N 444.369 4.191 5 20 IIBD C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 744421682 PQSVSKQVWWBLBN-GOSISDBHSA-N 438.528 4.065 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])n1ccc(=NCC(F)(F)F)cc1 747623200 KELUYYIFDUCZJW-UHFFFAOYSA-N 436.312 4.021 5 20 IIBD COc1ccccc1C1(C(=O)OCCOc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 749339989 ZTPHZFAZBYADML-UHFFFAOYSA-N 425.359 4.276 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CCN(Cc2ccsc2)CC1 750829636 RAPSBUHCVQZDPY-UHFFFAOYSA-N 444.738 4.030 5 20 IIBD CN(C)C(=O)c1ccccc1OC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 751314342 CJYGUHLFWZQTMT-UHFFFAOYSA-N 449.250 4.008 5 20 IIBD COc1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc2OC)cc1 752377817 DVBVHIVWOWABSQ-NRFANRHFSA-N 437.408 4.040 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1I)N(CC1CCC1)CC(F)(F)F 752417525 PKZXKSXFDOIWBF-UHFFFAOYSA-N 442.175 4.004 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@H](C[C@H]1CCOC1)c1ccccc1 753821459 IQDFGMRBPUZOPB-CXAGYDPISA-N 426.441 4.171 5 20 IIBD Cc1c(C(=O)N[C@@H]2CCOc3c2ccc(Cl)c3Cl)nnn1-c1cccc([N+](=O)[O-])c1 754478407 GVWGUOMNHTZODY-OAHLLOKOSA-N 448.266 4.044 5 20 IIBD C[C@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1noc(-c2ccccc2)n1 755021257 CBGCZKBGPHSZND-JTQLQIEISA-N 432.234 4.290 5 20 IIBD Cc1cc(-c2noc([C@H](C)NCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)n2)ccc1F 755169154 XOECYKSZNZSPPU-NSHDSACASA-N 433.827 4.035 5 20 IIBD COc1ccc(Br)cc1CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl 756927579 QHRFKSXEMBKXPE-UHFFFAOYSA-N 428.670 4.019 5 20 IIBD CC(=O)N(c1ccc(F)cc1)c1nc(COC(=O)c2ccc(F)cc2[N+](=O)[O-])cs1 758115553 XKFPOTORMOEMPT-UHFFFAOYSA-N 433.392 4.371 5 20 IIBD COc1ccc(C(=O)[C@H](C)OC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1Cl 758360982 KVFHIEDCFWJYKM-AWEZNQCLSA-N 446.887 4.288 5 20 IIBD O=C(COc1c([N+](=O)[O-])cnc2ccc(Br)cc12)c1cccc([N+](=O)[O-])c1 758869541 BAXYULLHIYNCDX-UHFFFAOYSA-N 432.186 4.075 5 20 IIBD O=C(CCCNC(=O)c1ccc(Cl)cc1)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760459511 VXKKGJGXCAILJG-UHFFFAOYSA-N 443.843 4.157 5 20 IIBD O=C(NC[C@H](O)c1cccc(OCc2ccccc2)c1)c1cc([N+](=O)[O-])ccc1Cl 761596758 APUDCUZDTTVOBB-NRFANRHFSA-N 426.856 4.291 5 20 IIBD COc1ccc(Br)cc1-c1noc([C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 761753169 ISVHEIXYDHWMPP-MRXNPFEDSA-N 445.229 4.282 5 20 IIBD O=C(Nc1ccccc1)c1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1 766482924 ANSZLWYKSDSRHH-UHFFFAOYSA-N 449.444 4.163 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N(CCO)Cc1ccc(Cl)c(Cl)c1 768077603 MZUFTYXNSYOYGA-UHFFFAOYSA-N 438.311 4.137 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)O)c1 769631476 VEBGTBWDTYHKJQ-UHFFFAOYSA-N 439.660 4.362 5 20 IIBD COc1cc(S(=O)(=O)Oc2cc(NC(=O)OC(C)(C)C)ccc2C)ccc1[N+](=O)[O-] 769673605 QFZGQNKWEIJEPO-UHFFFAOYSA-N 438.458 4.027 5 20 IIBD Cc1c(NC(=O)[C@H](C)N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)cccc1[N+](=O)[O-] 769944630 CACOOYUINOIRNN-KRWDZBQOSA-N 448.564 4.199 5 20 IIBD C[C@@H](Cc1ccccc1)n1cccc1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F 773714039 UIFPDFWTFPWTTQ-HNNXBMFYSA-N 425.416 4.135 5 20 IIBD COc1cc(CN[C@@H](C)c2ccc(N3CCOC3=O)cc2)c([N+](=O)[O-])cc1OC(F)F 775264183 ZXNCQYONZWCBKJ-LBPRGKRZSA-N 437.399 4.012 5 20 IIBD CCCN([C@@H](CC)c1ccccc1)S(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 777915067 MEQPLTPXNGVJCW-SFHVURJKSA-N 447.513 4.103 5 20 IIBD O=C1OCCN1c1ccc(S(=O)(=O)N(c2ccccc2)C2CCCCC2)cc1[N+](=O)[O-] 777952523 OJIJYOVPHFCFBB-UHFFFAOYSA-N 445.497 4.079 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 784551577 HVTLOHHSSBKBJV-JCGIZDLHSA-N 449.573 4.472 5 20 IIBD Cc1cc(Br)ccc1NC(=O)COc1cc([N+](=O)[O-])ccc1Br 786746981 QMQQXIBJZOUASW-UHFFFAOYSA-N 444.079 4.446 5 20 IIBD O=C(Cc1nc(-c2ccc(F)cc2)cs1)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 787005436 WJFIUJQYJODFTP-UHFFFAOYSA-N 440.412 4.193 5 20 IIBD CCN(CC)C(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)cc1Cl 791322975 CRIOGPHFPZGKEO-UHFFFAOYSA-N 436.871 4.188 5 20 IIBD COc1cc(C(=O)OCC(=O)Nc2cccc(-c3csc(C)n3)c2)cc([N+](=O)[O-])c1C 791691299 FBBCBFSUFPLKFH-UHFFFAOYSA-N 441.465 4.139 5 20 IIBD Cc1c(Br)cccc1CC(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 791796005 RDISIJLCMNQYTF-UHFFFAOYSA-N 448.317 4.063 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1[N+](=O)[O-] 792956960 ULFLURITLSSUDC-UHFFFAOYSA-N 449.511 4.113 5 20 IIBD O=[N+]([O-])c1cc(CN2CCC([C@H](O)c3ncc[nH]3)CC2)ccc1Oc1ccc(F)cc1 793182291 NXRCMDLADWJRBY-NRFANRHFSA-N 426.448 4.195 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)c1 794816178 QXVINECMWVTIOV-UHFFFAOYSA-N 427.457 4.285 5 20 IIBD COc1c(C(=O)OCc2ncc(-c3ccc(Br)cc3)o2)cccc1[N+](=O)[O-] 796308980 MAATVRJNELUFCY-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD C[C@@H](C(=O)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc(C(F)(F)F)cc1 798783773 LTYXPGVUPGBFQE-GFCCVEGCSA-N 438.358 4.259 5 20 IIBD Cc1sc(Br)c(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)c1C 799543401 LXETWJPBVQOGAJ-UHFFFAOYSA-N 428.260 4.259 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 799784147 PZQJTGCDEJPOHC-HOTGVXAUSA-N 437.562 4.229 5 20 IIBD O=C(OCc1ncnn1CCF)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 801218017 POEBKPKBNYLGTM-UHFFFAOYSA-N 436.852 4.317 5 20 IIBD C[C@H](c1ccc(F)cc1)N(C)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 801740979 RUMGKCIHWRRCQH-MRXNPFEDSA-N 443.475 4.101 5 20 IIBD CC(C)Oc1ccc([C@H](CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])N(C)C)cc1 805276418 XSHUOADDAVJFFL-FQEVSTJZSA-N 437.899 4.136 5 20 IIBD O=C(O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)c1ccccc1C(=O)c1ccccc1 813174341 YADALMPPRPASCS-NRFANRHFSA-N 430.460 4.257 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1Cl 813242360 QMUMEKAXCRKHAW-HNNXBMFYSA-N 438.267 4.154 5 20 IIBD O=C(OCc1coc(-c2cccc(F)c2)n1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 914617096 JXCMPVRXPNMOCG-UHFFFAOYSA-N 425.416 4.349 5 20 IIBD Cc1ccccc1-c1csc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)n1 915175961 GNKVZNRIPUXIOH-CYBMUJFWSA-N 440.456 4.157 5 20 IIBD COc1cc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1OC1CCCC1 916074904 RFPXNFVOYPEWIP-CYBMUJFWSA-N 429.429 4.324 5 20 IIBD Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1C 917258415 RWONAKQEDQAXMT-CYBMUJFWSA-N 440.374 4.337 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ccc(Br)cc1 917263463 PHLWNFKHRJOBQB-LLVKDONJSA-N 447.241 4.138 5 20 IIBD O=C(COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccc(F)cc1)C1CCCC1 918862133 YKGFOSJODUVRTJ-WYIJSASQSA-N 426.444 4.338 5 20 IIBD COc1ccc(COC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)cc1[N+](=O)[O-] 918887230 KXDHOYLRBFDBKU-JOCHJYFZSA-N 433.416 4.415 5 20 IIBD C[C@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)Nc1cccc(Br)c1 919513618 CASSMZMYMLKNAV-JTQLQIEISA-N 432.230 4.023 5 20 IIBD CC(C)COC(=O)Nc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 920314643 QJTBKFPABQKPAM-UHFFFAOYSA-N 427.866 4.254 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc2ccccc12 1115883220 XDMIMVWDKHIXFQ-UHFFFAOYSA-N 433.342 4.266 5 20 IIBD O=[N+]([O-])c1sccc1S(=O)(=O)Nc1ccc(Br)c(C(F)(F)F)c1 1116850313 JXMAVNUXTDVTEH-UHFFFAOYSA-N 431.211 4.238 5 20 IIBD O=C(CCSc1ccc(S(=O)(=O)C(F)(F)F)cc1)Nc1ccc([N+](=O)[O-])cc1 1318968353 KZMSCPMPNOISEI-UHFFFAOYSA-N 434.417 4.009 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)C2)CC1 1320648391 HZSSPQPFSHKTGI-UHFFFAOYSA-N 449.573 4.327 5 20 IIBD Nc1c(C(=O)Nc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)cc(Br)cc1[N+](=O)[O-] 1322746543 NRPVBXKVJGFMTL-NHYWBVRUSA-N 431.290 4.181 5 20 IIBD CNC(=O)c1ccc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c(C)c1 1324035897 AWDXGGHYKANZKZ-OAHLLOKOSA-N 433.468 4.083 5 20 IIBD O=C(NC[C@H](CO)CC1CCOCC1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 1339162201 ZQUVRUMZBGGWEF-MRXNPFEDSA-N 448.903 4.196 5 20 IIBD CC(C)[C@@]1(CO)CCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 1343483659 GGWBTAFJDSMXRE-UNMCSNQZSA-N 431.920 4.268 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1)c1ccc2nc[nH]c2c1 1789275182 XTIBGCVGARHGFC-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD Cc1ccc([C@H](C)C(=O)Nc2ccc(C3(NC(=O)c4nc[nH]c4[N+](=O)[O-])CCC3)cc2)cc1 1791343536 ACWPJFOLFXNUJH-INIZCTEOSA-N 447.495 4.178 5 20 IIBD CC(C)[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1793275902 AFVJFYZILZMMOY-PFFGQXEYSA-N 443.544 4.302 5 20 IIBD COc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CC(C)(C)C)n[nH]2)ccc1[N+](=O)[O-] 1816761415 JKZLDEOFDJTCPV-INIZCTEOSA-N 443.504 4.069 5 20 IIBD Cc1scc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)c1C 1829829163 DCSCWHJKGLGQSL-IBGZPJMESA-N 444.557 4.148 5 20 IIBD CCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1831388096 VFULUZYPLBEFGL-HXUWFJFHSA-N 433.524 4.403 5 20 IIBD Cc1cc(C)c(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c(C)c1 6902890 DNIDOWUQJHEBMN-UHFFFAOYSA-N 425.485 4.306 5 20 IIBD O=C(COC(=O)c1ccc2ncsc2c1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 8940229 XAAKAEKKZGTYEV-UHFFFAOYSA-N 425.344 4.019 5 20 IIBD COc1ccc(Nc2nnc(S[C@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)s2)cc1 10786630 YGMCOXYRYBGCEY-SNVBAGLBSA-N 449.489 4.457 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCc3ccc(C(F)(F)F)cc3)cc2)c(C)c1[N+](=O)[O-] 12624081 ZDGZHBULRDJAOG-UHFFFAOYSA-N 432.402 4.405 5 20 IIBD CN(C)[C@@H](CNc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])c1ccccc1 15131503 RVCKCNABKPHHRL-QFIPXVFZSA-N 440.525 4.110 5 20 IIBD Cc1ccc(NC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)cc1[N+](=O)[O-] 15409721 GWYNJILFAYJJST-IRXDYDNUSA-N 425.485 4.324 5 20 IIBD COc1cc(CCN[C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)c([N+](=O)[O-])cc1OC 15507623 DNRDSYJJJBGTPH-DEOSSOPVSA-N 449.507 4.433 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccccc1N1CCCC1=O 16105580 JHOOUUWTNKWFNX-UHFFFAOYSA-N 439.415 4.471 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)CSc1nc2ccccc2o1)c1ccccc1[N+](=O)[O-] 16144803 KQJWJMWABLIQEP-MRXNPFEDSA-N 443.481 4.027 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Sc2nc(C3CC3)n(-c3ccccc3)n2)c([N+](=O)[O-])c1 16795311 MZAGWHNCEHFKFO-CYBMUJFWSA-N 439.497 4.181 5 20 IIBD C[C@H](OC(=O)Cc1csc(-c2ccccc2Cl)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 26674911 LSFBGOZHWBEWJR-LBPRGKRZSA-N 445.884 4.485 5 20 IIBD COc1ccccc1CN(Cc1cccs1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 105936915 NAXPTWGNJGUCSC-UHFFFAOYSA-N 432.523 4.197 5 20 IIBD Cc1n[nH]c(-c2ccc(NC(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)n1 109599528 GEYIFQYVMUKESQ-UHFFFAOYSA-N 434.378 4.148 5 20 IIBD CN1CCC(N(Cc2ccco2)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 215712031 NVZCZDJEBYYAAA-UHFFFAOYSA-N 426.498 4.048 5 20 IIBD O=C(NCCOc1ccccc1-c1ccccc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 303050415 JBNKWRMYETYNAH-UHFFFAOYSA-N 428.448 4.256 5 20 IIBD Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1C(F)(F)F 303429910 FMDJLEXDQOFIIU-ZDUSSCGKSA-N 427.404 4.227 5 20 IIBD O=C(Cc1c[nH]c2cc(Br)ccc12)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 429208817 SPDJETNONWWSOG-UHFFFAOYSA-N 440.257 4.206 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnn(S(=O)(=O)c3cc(Cl)ccc3Br)c2)c1 429871969 VOOPGFFEALXZQI-UHFFFAOYSA-N 442.678 4.111 5 20 IIBD COc1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1Br 430934682 QIWMDJQEKFAYAS-UHFFFAOYSA-N 430.052 4.381 5 20 IIBD COCCOc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1OC 437145465 MLUIGYYOQNUNDW-GFCCVEGCSA-N 442.390 4.138 5 20 IIBD CCN(c1ccc(F)c(F)c1)S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 438789966 GRIWDPQGGUJPBE-UHFFFAOYSA-N 435.246 4.159 5 20 IIBD CC(C)OCCN1CCC(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 442677363 FFVBHNDTFJYFNL-UHFFFAOYSA-N 443.569 4.365 5 20 IIBD COc1cc2c(cc1CNC(=O)c1cccc3c(=O)c4cccc(F)c4[nH]c13)O[C@H](C)C2 444240140 CHRCOKQYPNHFSM-CYBMUJFWSA-N 432.451 4.082 5 20 IIBD CCOC(=O)[C@@H]1CCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c2ccccc21 444705913 MZXYVSXKMTVPTP-OAHLLOKOSA-N 436.411 4.262 5 20 IIBD COc1nc(C)c(Br)cc1-c1noc(CCCNc2ccc([N+](=O)[O-])cc2)n1 446002018 KQKVRCCRMWEWNQ-UHFFFAOYSA-N 448.277 4.164 5 20 IIBD C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 446251614 AIZYDMJOJHRMFV-VBKZILBWSA-N 440.887 4.251 5 20 IIBD COc1ccccc1-c1csc([C@H]2CCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)n1 446786104 OOLQLHIDBQEXJM-HNNXBMFYSA-N 439.493 4.452 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 446902993 TZIWUGLHAJSNMB-ZDUSSCGKSA-N 433.390 4.189 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(NC(=O)c2ccncc2)c1 462496932 XDJWSMCZKJQSBA-LJQANCHMSA-N 432.480 4.127 5 20 IIBD COCC[C@H]1COCCN1C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 462770235 XEJKCRFMWOZFNN-HNNXBMFYSA-N 436.917 4.277 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H](CO)Cc1cccc(OC(F)(F)F)c1 463959960 UKKJLBBRLIDMMG-HNNXBMFYSA-N 441.406 4.083 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ccccc1OCCc1ccccc1 465040018 WCWMWGXQQWJQPV-UHFFFAOYSA-N 434.448 4.169 5 20 IIBD C[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1nc(-c2cccc(F)c2)no1 466459893 FYESGPOLLFLUFP-VIFPVBQESA-N 437.334 4.268 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nn(-c2ccc(Cl)cc2)cc1C 466798588 AXGFPKJHOLOZPL-UHFFFAOYSA-N 446.916 4.733 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2nc3c(F)cccc3n2C)cc1[N+](=O)[O-])c1ccccn1 468346296 NPHDLEKHHZGQLE-ZDUSSCGKSA-N 434.431 4.441 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 468809013 CMWNDUDCWHDJPE-IBGZPJMESA-N 431.901 4.443 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CC[C@H](C)[C@@H](n4ccnc4)C3)cc2[N+](=O)[O-])n1 469381813 QTPZBUIXIZLZJM-GUYCJALGSA-N 443.554 4.431 5 20 IIBD CCOc1ccccc1[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 470246545 GUJAEZHAEKGDTD-OXQOHEQNSA-N 427.501 4.015 5 20 IIBD CCC1(CC)Oc2ccc(NC(=O)C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)cc2O1 471055193 BZNROISMGOLASI-UHFFFAOYSA-N 439.468 4.012 5 20 IIBD COCCC1(CNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CCCC1 471825037 IOIOWLHZFLOYQQ-UHFFFAOYSA-N 441.315 4.414 5 20 IIBD CCCN(CC(C)(C)O)C(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 474868650 KVWLOONWWCZZNY-UHFFFAOYSA-N 430.526 4.171 5 20 IIBD O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)c1ccc(Cl)cc1[N+](=O)[O-] 475084264 BTYBRCBECUTFLV-CQSZACIVSA-N 442.686 4.480 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C)c(N2C(=O)CNC2=O)c1 478208523 VPLDKNCQJNQLTM-UHFFFAOYSA-N 442.497 4.104 5 20 IIBD COC(=O)c1cnc(NCC2(c3ccc(Cl)cc3Cl)CCOCC2)c([N+](=O)[O-])c1 478288283 XHKHJZGDLYYRTN-UHFFFAOYSA-N 440.283 4.244 5 20 IIBD Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 478396201 DMHJPEJRQPBUEX-HNNXBMFYSA-N 425.411 4.119 5 20 IIBD O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 478764560 TXNJJJCGVAWYOJ-UHFFFAOYSA-N 444.835 4.344 5 20 IIBD COc1cc(C(=O)Nc2nc3ccccc3n2CCc2ccccn2)cc([N+](=O)[O-])c1C 479878445 WTGCNEPLAAIPOJ-UHFFFAOYSA-N 431.452 4.152 5 20 IIBD CCc1cc(N2CCC(NC(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)CC2)ncn1 480136343 NKCHPLMFUWZZSV-UHFFFAOYSA-N 446.511 4.090 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(N2CCCC2=O)c1 480649200 NOOSIWLDKJGVGI-UHFFFAOYSA-N 427.526 4.400 5 20 IIBD CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 480791282 KPXLMUUCRPKVHZ-UHFFFAOYSA-N 449.385 4.084 5 20 IIBD Cc1ccc(I)cc1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] 481938071 CPOZZZBNCRABMO-UHFFFAOYSA-N 425.226 4.172 5 20 IIBD O=C(NCc1ccnc(N2CCCC2)c1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 482028396 YVRHKAQLFQMXTH-UHFFFAOYSA-N 431.496 4.132 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 482404518 WDLAFLMEHZIUHB-HNNXBMFYSA-N 448.348 4.211 5 20 IIBD Cc1cc2n(n1)[C@@H](C(F)(F)F)CCN2C(=O)Cn1c2ccccc2c(=O)c2ccccc21 485481563 UTPPDKKURZFNTP-LJQANCHMSA-N 440.425 4.200 5 20 IIBD COc1ccc([C@H]2CCCN2c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)c(OC)c1 486418894 WAQMGSBOWJXVDJ-HXUWFJFHSA-N 425.485 4.190 5 20 IIBD COc1cc(CNc2cccc(N(C)C(N)=O)c2)c([N+](=O)[O-])cc1OCc1ccccc1 487197119 LFEUBYXBDSINHI-UHFFFAOYSA-N 436.468 4.309 5 20 IIBD O=c1c([N+](=O)[O-])cn(Cc2nc(O)c3c(-c4ccccc4)csc3n2)c2ccccc12 487907953 JBOUGEAUEZBBAX-UHFFFAOYSA-N 430.445 4.335 5 20 IIBD Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 489393674 VABLWNNTUGJSRC-UHFFFAOYSA-N 447.495 4.213 5 20 IIBD Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)c(N2CCOCC2)c1 489903284 YXXSGQNBLGCGFR-UHFFFAOYSA-N 443.569 4.418 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(Br)cc2Cl)cc1[N+](=O)[O-] 493898087 UDURPSUNBIMRSW-SNVBAGLBSA-N 440.681 4.135 5 20 IIBD CC(C)(C)[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc(F)c1 493945111 NRNKROZFQWFGLL-MRXNPFEDSA-N 439.390 4.177 5 20 IIBD CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 497727412 LLCUZDIZVOWRGF-AWEZNQCLSA-N 434.899 4.020 5 20 IIBD CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 497727413 LLCUZDIZVOWRGF-CQSZACIVSA-N 434.899 4.020 5 20 IIBD O=C(Nc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1)c1ccccc1 497900718 VIYBNLBFVXEVNO-UHFFFAOYSA-N 426.432 4.325 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 498474689 QHJXUCHXTODSGJ-GOSISDBHSA-N 435.402 4.016 5 20 IIBD O=C(c1cc(F)c2ccccc2c1)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 499399118 FOJVPKDXLUMZKY-UHFFFAOYSA-N 433.443 4.116 5 20 IIBD COc1cc(C(=O)N(Cc2ccc(Br)cc2)C(C)C)c([N+](=O)[O-])cc1OC 499815643 UJLUFBWUUZYXCR-UHFFFAOYSA-N 437.290 4.425 5 20 IIBD CS(=O)(=O)[C@@H]1CCCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 503097393 FZMTZEYELKAJEI-GOSISDBHSA-N 438.933 4.440 5 20 IIBD C[C@@H](CO)N(C[C@H](C)c1ccccc1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 503563056 PYGXDRIPCFJASD-GJZGRUSLSA-N 439.434 4.310 5 20 IIBD Cc1nn(C)c(C(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)c1[N+](=O)[O-] 504760964 WUYABAOVDAMRRB-UHFFFAOYSA-N 447.373 4.160 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CCS[C@@H]2CCCC[C@H]21 510146430 HXEAHWXTGQTIEO-HUUCEWRRSA-N 446.310 4.008 5 20 IIBD Cc1ccc(-c2nc(NC(=O)CSc3ccc(C(N)=O)cc3[N+](=O)[O-])sc2C)cc1 514623828 CURQSFQFUHUKQW-UHFFFAOYSA-N 442.522 4.165 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cc(F)ccc1NC(=O)c1ccccn1 518340112 XTYXRIVPWCWRMB-UHFFFAOYSA-N 426.429 4.112 5 20 IIBD CCN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)c1ccc(F)cc1 521625530 KRZZPXRHLQSXPU-XMMPIXPASA-N 449.482 4.492 5 20 IIBD CCNC(=O)c1cccc(CNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1 522709123 XVHRHJXOSBSGNW-UHFFFAOYSA-N 434.452 4.459 5 20 IIBD COc1cc(OCC(=O)Nc2ccc(-c3cn4ccc(C)cc4n3)cc2)ccc1[N+](=O)[O-] 523843526 YOLWFHFAXKSHKN-UHFFFAOYSA-N 432.436 4.244 5 20 IIBD Cc1c(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)sc2ccccc12 525468528 YZHZQRNHNIQWHE-UHFFFAOYSA-N 443.912 4.370 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 530779778 OZZPMGWJXMNVIB-UHFFFAOYSA-N 439.493 4.289 5 20 IIBD C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 531562519 XCBXBBGDSDPTDP-GFCCVEGCSA-N 449.298 4.230 5 20 IIBD CN(C)S(=O)(=O)c1ccc(Sc2ncc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])c1 531910197 OARWGCOPFJFOFH-UHFFFAOYSA-N 441.840 4.064 5 20 IIBD COc1ccccc1NC(=O)C1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 532643936 KUGXPLYXGWYSIN-UHFFFAOYSA-N 427.501 4.241 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)CCCCC2 535670574 PYIUMBVPNDCUOP-UHFFFAOYSA-N 435.527 4.228 5 20 IIBD COc1c(Br)cc(Cl)cc1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] 540697196 DYXHPUANSNLMLU-UHFFFAOYSA-N 449.710 4.004 5 20 IIBD CN(CC(C)(C)C)C(=O)c1cccc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 540893671 VBDLIHYJSJPQLR-UHFFFAOYSA-N 431.920 4.339 5 20 IIBD C[C@H](c1cccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1)N1CCOCC1 543143642 VVJKQQLEVUULIS-CQSZACIVSA-N 435.933 4.372 5 20 IIBD CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F 543583660 ZDZMDUIOCUEALT-LPHOPBHVSA-N 429.492 4.056 5 20 IIBD CC(=O)NC1CCC(N(C)C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 544475959 ZDSGWPDXFSDTEU-UHFFFAOYSA-N 433.574 4.396 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3cccc(OCC(F)(F)F)n3)no2)c(Br)c1 545047207 QHQWIZOWDADFAH-UHFFFAOYSA-N 445.151 4.410 5 20 IIBD C[C@H](c1ccc(Br)cc1)c1noc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)n1 545839021 KZVCBZIMPYUPDL-LLVKDONJSA-N 441.245 4.140 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3nc(Cc4nc(-c5ccccc5)n[nH]4)no3)cs2)cc1 546499583 XUFPJBUZKDPLMB-UHFFFAOYSA-N 431.437 4.144 5 20 IIBD Cc1cc(Br)cn2cc(CNC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)nc12 546827235 UADVWCYKEJRJJH-UHFFFAOYSA-N 446.305 4.048 5 20 IIBD O=[N+]([O-])c1ccccc1Cc1noc(-c2n[nH]c(-c3ccccc3)c2Br)n1 546947882 BTNNEMJMBIZOJG-UHFFFAOYSA-N 426.230 4.388 5 20 IIBD Cc1ccc([C@H](NCc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@@H](C)S(C)(=O)=O)cc1 549674261 MZKNXVRGQONHKI-FZKQIMNGSA-N 430.448 4.186 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 550216461 KDPCQTSNELTULJ-INIZCTEOSA-N 435.274 4.476 5 20 IIBD Cc1nc2cccc(-c3noc(-c4ccc([N+](=O)[O-])cc4I)n3)c2[nH]1 551060648 HEOHCTKZSYGPOX-UHFFFAOYSA-N 447.192 4.101 5 20 IIBD O=C(Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2)c1ccc(Cl)cc1[N+](=O)[O-] 551329508 RJPLDIWTQWJNIN-UHFFFAOYSA-N 427.816 4.204 5 20 IIBD Cn1ccnc1[C@H](Nc1ccc(NC(=O)c2ccccc2)cn1)c1ccc([N+](=O)[O-])cc1 552055495 QKDMOAZNRRHOQF-OAQYLSRUSA-N 428.452 4.177 5 20 IIBD COc1cc2c(cc1Cl)CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])CC2 554677082 JJFKOIXGPUILFL-UHFFFAOYSA-N 425.666 4.218 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(-c4cn5ccc(Br)cc5n4)n3)c2c1 558352727 ICJZORZIRRVHJF-UHFFFAOYSA-N 439.229 4.127 5 20 IIBD C[C@@H](CCc1ccccc1[N+](=O)[O-])NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1 558510103 XXZOGSQKTJYPPL-KRWDZBQOSA-N 436.512 4.075 5 20 IIBD CN(C(=O)c1cccc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c1)c1ccccc1 563650497 LPJAOSVHBYWWIV-UHFFFAOYSA-N 425.391 4.331 5 20 IIBD Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 569337195 KBBZDAMPAKFBNK-UHFFFAOYSA-N 433.512 4.052 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cc(Br)c(OC)c(OC)c1 571212707 RHLNAMPEROKJMU-UHFFFAOYSA-N 438.278 4.259 5 20 IIBD Cc1cccnc1-c1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1Cc1ccccc1 571459750 SMJXQOODUQQQJQ-UHFFFAOYSA-N 426.480 4.168 5 20 IIBD C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2ccccc2)C[C@H](C2CC2)O1 581025064 ZSNFOSOWCDVXSX-VGOFRKELSA-N 433.512 4.100 5 20 IIBD CCOc1ccc([C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 583522518 KVYRZMLPNAMNQX-QHCPKHFHSA-N 440.521 4.146 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])Cc1sc(N2CCOCC2)nc1-c1ccccc1 589185006 KXPCPNJTXZGJLH-UHFFFAOYSA-N 438.553 4.229 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCNC(=O)[C@H]3c3ccccc3C)c([N+](=O)[O-])c2)cc1 600841946 LLVMLYYARFPHMV-HSZRJFAPSA-N 444.491 4.141 5 20 IIBD COc1cc(C(=O)N2CCN(C(C)C)CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 603522466 QBYGVAGJJDNWPV-UHFFFAOYSA-N 433.892 4.215 5 20 IIBD CC(=O)NCCCc1ccc(-c2csc(NC(=O)c3csc([N+](=O)[O-])c3)n2)cc1 603750996 COBFGIATMOUQBR-UHFFFAOYSA-N 430.511 4.101 5 20 IIBD COc1ccc(OC(F)F)c(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c1 603761675 OCXNMERZBJBKJO-UHFFFAOYSA-N 434.298 4.067 5 20 IIBD O=C(c1ccc(NCc2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1)N1CCOCC1 603860463 BBQYTPKTCRTYGQ-UHFFFAOYSA-N 447.491 4.258 5 20 IIBD CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc([N+](=O)[O-])cc1F 603953535 PTLACLGFEOHXQD-UHFFFAOYSA-N 427.354 4.242 5 20 IIBD C[C@H]1CCc2c(sc3nc(CCC(=O)N[C@@H](C)c4cccc([N+](=O)[O-])c4)nc(O)c23)C1 604108555 IRYUKRIABZWCGN-STQMWFEESA-N 440.525 4.240 5 20 IIBD CCCOc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c(C)c1 608805614 SBCBTGUFGUYDLW-OAQYLSRUSA-N 425.485 4.244 5 20 IIBD CC(C)c1nc(CCNc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])cs1 608831673 ACXMCMYNHXWFBM-UHFFFAOYSA-N 438.575 4.004 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)CCCC(=O)OC(C)(C)C)cc2[N+](=O)[O-])C1 608970681 FVGHFWULNLNEQM-IRXDYDNUSA-N 433.549 4.271 5 20 IIBD COc1ccc(C(=O)NCCNc2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])cc1 608972837 PMWZJNVADBKFFA-UHFFFAOYSA-N 448.479 4.006 5 20 IIBD CCCC(=O)NC[C@H]1CCCN(c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])C1 608973505 JTXFOIBKDWGLKL-GOSISDBHSA-N 438.528 4.288 5 20 IIBD O=C(N[C@@H]1CCc2c(Br)cccc21)C1CCN(c2ccccc2[N+](=O)[O-])CC1 609022835 PHYHGJJAZOXRSO-GOSISDBHSA-N 444.329 4.377 5 20 IIBD Cc1ccc(CNC(=O)c2cccc(CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])c2)cc1 609504194 XUUOMFFDKWJLEP-UHFFFAOYSA-N 437.883 4.417 5 20 IIBD CNc1ccc(C(=O)N(CCCn2ccnc2)Cc2c(F)cccc2Cl)cc1[N+](=O)[O-] 609526093 PTGJRXOKNQWQTC-UHFFFAOYSA-N 445.882 4.358 5 20 IIBD C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC/C=C\c2ccc(Br)cc2)C1=O 609749871 FLDVBHBATIJEGS-AJQASEPBSA-N 444.285 4.228 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccccc1NS(=O)(=O)c1ccccc1 609792858 NJQCSQKYYCEHKC-UHFFFAOYSA-N 445.884 4.230 5 20 IIBD O=C(NCCc1nc2ccccc2n1C(F)F)c1ccc([N+](=O)[O-])cc1Br 610064923 QWDHUGGLCCJBST-UHFFFAOYSA-N 439.216 4.075 5 20 IIBD O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 610775690 RCOMBOWSFAUWAP-QGZVFWFLSA-N 439.537 4.267 5 20 IIBD CC[C@H](CO)NC(=O)Cc1ccc(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1 610911276 YLXXXVQUSSENBZ-QGZVFWFLSA-N 439.537 4.365 5 20 IIBD CCCCN1C(=O)CC[C@H](C(=O)N(C)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(OC)cc1 611090731 IBWZOSICFWEPLO-GMAHTHKFSA-N 439.512 4.346 5 20 IIBD O=C(NCCCNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)c1cccc(F)c1 611205538 ACKSBBNZDQUOPC-UHFFFAOYSA-N 445.516 4.319 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)c1ccc2nc(O)[nH]c2c1 611213363 OHJKQSKWNLTCGN-AWEZNQCLSA-N 431.452 4.280 5 20 IIBD O=c1c2ccccc2[nH]c2ccc(-c3nc([C@@H]4CN(Cc5ccccc5)CCO4)no3)cc12 681960491 SCJQHUPCNYKHJO-QHCPKHFHSA-N 438.487 4.305 5 20 IIBD Cc1nc(-c2ccco2)ccc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 726233261 YETOJSDBLLZTNX-GFCCVEGCSA-N 429.816 4.396 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Oc2ccc(Oc3ccccn3)cc2)ccc1[N+](=O)[O-] 726501510 YDPAZLBDAQXMOI-OAQYLSRUSA-N 447.447 4.301 5 20 IIBD O=[N+]([O-])c1cccc(-c2ncn(CN3CCCc4cc(Br)cc(F)c43)n2)c1 728710026 KLSCDKVPZIBANO-UHFFFAOYSA-N 432.253 4.165 5 20 IIBD COc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1OC1CCCC1 733279373 CKVUNAQLAQNWQO-UHFFFAOYSA-N 439.512 4.455 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(CSc2ccccn2)c1 733425656 DLJIVDQAKWUNIS-HNNXBMFYSA-N 437.477 4.466 5 20 IIBD Cc1c(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 741589757 UVBUHJBCKJXXJD-AWEZNQCLSA-N 432.864 4.172 5 20 IIBD Cc1ccc(N2CCC[C@@H](NC(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)C2)cc1 742017747 PSZANPMJJHQXTQ-JOCHJYFZSA-N 447.539 4.164 5 20 IIBD O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 742228755 WJZNHISQAZKATH-KRWDZBQOSA-N 428.247 4.053 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]2c2ccc(Cl)cc2)cc1Br 742323299 LBIGIRAGVMAZHH-AWEZNQCLSA-N 431.695 4.146 5 20 IIBD O=C(c1c(F)cccc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 742401091 LIWFUFCQAQYYNX-UHFFFAOYSA-N 442.672 4.112 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)Nc2cc(C)ccc2C)c([N+](=O)[O-])cc1OC(F)F 744532881 DAFKPYGZKJBDNP-LBPRGKRZSA-N 438.383 4.006 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCN(C)CC2)c(Cl)c1 749134701 RDKOICIWKINUOY-AWEZNQCLSA-N 434.949 4.119 5 20 IIBD O=[N+]([O-])c1cccc([C@@H](O)CSc2nnc(N3CCCC3)n2-c2cccc(Cl)c2)c1 749667586 ZOFJUJPEZZVFBH-SFHVURJKSA-N 445.932 4.255 5 20 IIBD CSc1ccc2cc(Cn3c(-c4ccc([N+](=O)[O-])cc4)noc3=O)c(Cl)nc2c1 750959501 KWCZNOQQWFJDGT-UHFFFAOYSA-N 428.857 4.383 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](CCN2CCCC2=O)c2ccccc21 751340801 WMRSFYSGFJZXRD-IRXDYDNUSA-N 439.537 4.218 5 20 IIBD Cc1cc(F)cc(C(=O)Nc2ccc(F)c(-c3nnc4n3CCCCC4)c2)c1[N+](=O)[O-] 753352548 JZRHQKNATLYFSY-UHFFFAOYSA-N 427.411 4.419 5 20 IIBD Cc1cc(C)cc(OCc2noc(COC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)c1 754249045 IOKYMDKKYLCFPS-OAHLLOKOSA-N 443.481 4.398 5 20 IIBD O=C(NC[C@H](c1cccs1)N1CCCC1)Nc1ccc(Br)c([N+](=O)[O-])c1 755027874 DBXYKLGJYCGMIS-OAHLLOKOSA-N 439.335 4.377 5 20 IIBD CC[C@H]1CN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC[C@H]1NC(=O)OC(C)(C)C 756909924 NHEXXZWHROSOSV-OXJNMPFZSA-N 429.521 4.041 5 20 IIBD CC[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C 757363335 ZSJOTISOWUUSFM-DOMZBBRYSA-N 445.438 4.379 5 20 IIBD C[C@@H](OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)Nc1cccc(C(F)(F)F)c1 758740422 RFPVCYMVSYPVCC-LLVKDONJSA-N 435.358 4.208 5 20 IIBD COc1ccc([C@@H](OC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](C)n2cccn2)cc1 759314509 WVQQYIGMGAKRIR-CMJOXMDJSA-N 434.452 4.369 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl 759807506 ZOGBTAWYSFHJSR-OAHLLOKOSA-N 440.953 4.243 5 20 IIBD O=C(CCc1nc(-c2ccc(Cl)cc2)no1)O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 759946524 IZZONBCIVHUNHE-CVEARBPZSA-N 445.863 4.154 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1cc(F)c(F)cc1I 760321835 KRHHVMWCTHPYDW-UHFFFAOYSA-N 440.090 4.008 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nncn1C(C)C 761900210 HDYGQAMGCCJCFU-UHFFFAOYSA-N 435.893 4.197 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2cc(Br)cc(Cl)c2O)cc1[N+](=O)[O-] 762328042 KNGKHYLESHEBHU-UHFFFAOYSA-N 430.598 4.185 5 20 IIBD CC(C)(C)Sc1ccc(-c2noc(CSc3ccc(C(N)=O)cc3[N+](=O)[O-])n2)cn1 762340444 BFFIWGOBLGMFJO-UHFFFAOYSA-N 445.526 4.322 5 20 IIBD COc1ccc(C(=O)N[C@@H](C(=O)O[C@H](C)c2ccccc2[N+](=O)[O-])c2ccccc2)cc1 764598590 QAYZFDDITAQGSO-OPAMFIHVSA-N 434.448 4.379 5 20 IIBD Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)on1 768093036 HMTHTLYQYYZEKS-CYBMUJFWSA-N 427.438 4.226 5 20 IIBD CCCN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CCN(C(=O)OC(C)(C)C)CC1 769360051 YSWYONXAJMDGSD-UHFFFAOYSA-N 446.548 4.421 5 20 IIBD CN(C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)[C@H](CO)c1cccc(Br)c1 770006753 AQTCABMMRPPTLP-OAHLLOKOSA-N 428.670 4.208 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3CCN(c4ccc(C(C)C)cc4)C3=O)n2)c1 771389517 HWLGDOKIADYIRO-IBGZPJMESA-N 436.468 4.221 5 20 IIBD CCc1cc(N2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 771931377 QCGOKBQLBDETPT-YJBOKZPZSA-N 441.532 4.496 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(CCN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 774229051 YUKDRVMVWFWOIV-MOPGFXCFSA-N 429.521 4.454 5 20 IIBD C[C@H](OC(=O)c1ccc(-c2cncnc2)cc1F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 775103787 XSEHRBNSWOPSPM-NSHDSACASA-N 444.806 4.028 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C 777937601 UQQQDNOVDDGDCZ-UHFFFAOYSA-N 439.465 4.499 5 20 IIBD C[C@@H](OC(=O)[C@H](F)Cc1ccccc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 778202895 IRTDKDLUPJFQMH-CXAGYDPISA-N 443.456 4.169 5 20 IIBD O=C(O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)c1ccc(OCc2cccnc2)cc1 778811394 RJNPEUXOUXNCHS-FQEVSTJZSA-N 437.427 4.144 5 20 IIBD Cc1c(C(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 780305481 KMIHZKBTUYBLBM-HNNXBMFYSA-N 433.289 4.431 5 20 IIBD COc1ccc(OCCOC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1 781256974 IITNOVCGUDHLJI-UHFFFAOYSA-N 425.387 4.204 5 20 IIBD Cc1cc(COC(=O)CCc2nc(O)c3c4c(sc3n2)C[C@@H](C)CC4)ccc1[N+](=O)[O-] 781471596 YNPKOEOPLFGSLK-LBPRGKRZSA-N 441.509 4.414 5 20 IIBD O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N(Cc1ccccn1)c1ccc(Cl)cc1 781626673 UCXDIMSEGXBOBF-NRFANRHFSA-N 436.855 4.370 5 20 IIBD CC1(NC(=O)OC(C)(C)C)CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 781765396 PKPWUBMDMSBGIH-UHFFFAOYSA-N 446.529 4.238 5 20 IIBD CC(=O)Nc1ccc(C)c2c1CCCN2C(=O)c1cc([N+](=O)[O-])ccc1Br 784153488 JBVYBYLWJIZYIP-UHFFFAOYSA-N 432.274 4.217 5 20 IIBD CCN(CC)Cc1csc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)n1 785934585 TZSBZBGHHXOTHV-UHFFFAOYSA-N 427.324 4.216 5 20 IIBD O=C(COc1cc([N+](=O)[O-])ccc1Br)Nc1ccc(Br)cc1F 786746230 RJYCFNYNKSCSLG-UHFFFAOYSA-N 448.042 4.276 5 20 IIBD CC1CCN(c2ccc(C(=O)O[C@H]([C@@H]3CCCOC3)C(F)(F)F)cc2[N+](=O)[O-])CC1 789647762 CNUPRGPWIKJTIK-CRAIPNDOSA-N 430.423 4.345 5 20 IIBD CCc1ccc(-c2noc([C@@H](C)NC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])n2)cc1 790558480 JBFHVOOQGQLIPQ-LLVKDONJSA-N 432.839 4.420 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)c1F 790565440 JNCQUYYIPRYRRJ-UHFFFAOYSA-N 447.264 4.496 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccc(NC[C@H]2CCCO2)c(F)c1 790766226 BYCNUFBSXGJQCB-CYBMUJFWSA-N 425.819 4.299 5 20 IIBD CC(=O)N(c1ccc(C)cc1)c1nc(COC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cs1 796258834 YHSMVSYREIRPAA-UHFFFAOYSA-N 443.485 4.248 5 20 IIBD O=C(O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1cc2sc(N3CCCC3)nc2s1 796768205 ZXSUSQATPSCNAD-CHWSQXEVSA-N 447.542 4.403 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 798245278 WMKXVSQUAGLPGP-UHFFFAOYSA-N 430.323 4.419 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 798542425 UGQJIJBQXYLHPB-UHFFFAOYSA-N 428.445 4.390 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)O[C@H]2CC(C)(C)Oc3ccccc32)cc1OC 799436910 KCFRMAIWOYMYIY-FQEVSTJZSA-N 431.441 4.088 5 20 IIBD Cc1nc(-c2ccc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2)cs1 799518119 ZPFFENWLDLHUKE-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(Br)c3cccnc23)cc1[N+](=O)[O-] 801055804 SVRWXEVLAMSYCW-UHFFFAOYSA-N 431.202 4.374 5 20 IIBD O=C(OCc1nc2ccc(Br)cc2o1)C(F)(F)c1ccc([N+](=O)[O-])cc1 803091258 FVMGHGSSCMQTHA-UHFFFAOYSA-N 427.157 4.334 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCC([C@@H](F)c2ccccc2F)CC1 807299890 USCCRKCFUXGSLI-GOSISDBHSA-N 437.830 4.275 5 20 IIBD O=[N+]([O-])c1ccc(CN(C2CC2)S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cc1 809830017 LILMWVNBRQTOAQ-UHFFFAOYSA-N 446.268 4.163 5 20 IIBD O=C(COc1cc(F)cc(F)c1)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 810533719 UMFXLWXBXMDKGM-UHFFFAOYSA-N 428.347 4.110 5 20 IIBD O=C(OCC(=O)c1ccc(C(F)(F)F)nc1Cl)c1cc2cc([N+](=O)[O-])ccc2[nH]1 811094023 PTYSXVXPELHNAW-UHFFFAOYSA-N 427.722 4.183 5 20 IIBD O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 811532632 AAPINXLASOBKAP-HNNXBMFYSA-N 430.766 4.361 5 20 IIBD COC[C@H](C)[C@H](C)C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 812633060 WEPSFZAKFAVICX-CKFHNAJUSA-N 434.876 4.390 5 20 IIBD CC(C)(CCc1noc([C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)n1)[N+](=O)[O-] 812815325 JIIPCOVQZPLWSA-CQSZACIVSA-N 427.288 4.342 5 20 IIBD Cc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1[N+](=O)[O-] 814432143 OYFVJJVRVYQNNE-RTBURBONSA-N 431.533 4.403 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccccc1)c1ccccc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 915512742 UCZYBRVWIRBHJZ-JOCHJYFZSA-N 442.431 4.317 5 20 IIBD COc1ccc(CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)cc1[N+](=O)[O-] 915789890 SVSVEAJEAITJLC-UHFFFAOYSA-N 426.285 4.175 5 20 IIBD CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)Oc3cccc([N+](=O)[O-])c3C)cc2)cc1 917921097 CEAYEZGTXLFCGR-UHFFFAOYSA-N 426.450 4.296 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cn(CC(C)C)c3ccccc23)c([N+](=O)[O-])c1 919482338 QVBCNBAYNNWDMZ-OAHLLOKOSA-N 439.468 4.398 5 20 IIBD C[C@H](OC(=O)CCOc1ccccc1[N+](=O)[O-])C(=O)N[C@H](C)c1ccc2ccccc2c1 919491369 QHHFUZCAVMYCEM-SJORKVTESA-N 436.464 4.326 5 20 IIBD COC(=O)N(C)c1ccc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 919892009 FLVVMFPGXBNDLZ-UHFFFAOYSA-N 440.378 4.257 5 20 IIBD O=C(Cc1ccc(-c2ccccc2)cc1)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 920149231 WEMKQYYYEDBGAR-UHFFFAOYSA-N 438.867 4.431 5 20 IIBD C[C@@H](OC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O)c1ccccc1[N+](=O)[O-] 920268055 MGQGNFNSYFJFKT-MLGOLLRUSA-N 433.258 4.015 5 20 IIBD C[C@H](c1cccc(C(F)(F)F)c1)N(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C1CC1 920306130 TXRYSKISUFAGRT-GFCCVEGCSA-N 433.386 4.393 5 20 IIBD CC(C)CCOc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)c1 920818618 YUIXSZAKLVHMCG-HNNXBMFYSA-N 429.448 4.150 5 20 IIBD O=C([C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)N1Cc2ccc([N+](=O)[O-])cc2C1 1318732031 QSZTZPNWHXBZSD-SFHVURJKSA-N 434.279 4.049 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N2CC(Cc3c(F)cccc3Cl)C2)c([N+](=O)[O-])c1 1319091111 YDSLLHYPEFHWCH-UHFFFAOYSA-N 428.851 4.031 5 20 IIBD CCn1c(SCC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)nnc1-c1ccc(Cl)cc1 1319123326 PZUXGOWNMJSSDN-UHFFFAOYSA-N 443.916 4.161 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[C@H](C)c1ccc(F)cc1F 1332140712 DOCJIVDTYTYLDY-CYBMUJFWSA-N 430.411 4.464 5 20 IIBD O=[N+]([O-])c1cc(I)cc(-c2nnc(-c3cccc4ncccc34)o2)c1 1333058519 BMEMYVABOBPHFU-UHFFFAOYSA-N 444.188 4.465 5 20 IIBD Cc1ccc(C(=O)C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CCC2)cc1 1785751473 FTWZMAJBUBZKKE-UHFFFAOYSA-N 447.447 4.127 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@@H]3C[C@@]3(F)Cl)CCC2)cc1)c1cc(F)cc([N+](=O)[O-])c1 1790699491 ROBXGGUSKNXKQL-UWJYYQICSA-N 449.841 4.406 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)NC1(c2ccc(NC(=O)C(F)(F)Cl)cc2)CCC1 1791719050 NEULHSYCYLTLJU-UHFFFAOYSA-N 437.830 4.103 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])o1 1799621434 UGDQPOANMORBEX-CLLJXQQHSA-N 438.267 4.060 5 20 IIBD CCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C3)cc1 1799723955 DWZZHDJFZQCCSU-KOUNCHBCSA-N 435.524 4.042 5 20 IIBD CCCCC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1c1cccnc1 1812692399 DDYADTUKZBVXLC-DJPFJPOOSA-N 442.516 4.119 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)CC2CCCC2)[nH]n1)c1ccc([N+](=O)[O-])cc1F 1821050832 AORASBCFZTVVAA-LJQANCHMSA-N 443.479 4.343 5 20 IIBD O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCC([C@H]2CCCCN2C(=O)CC2CCCC2)CC1 1826265059 ZOPGFTTVYVGMBC-HXUWFJFHSA-N 443.544 4.114 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCCCN2C(=O)C2CCCCC2)CC1 1826279035 AMMHDCMFRFBLIN-HSZRJFAPSA-N 441.572 4.337 5 20 IIBD Cc1c(C(=O)N2CC3(CCCN3C(=O)CCc3cccc([N+](=O)[O-])c3)C2)oc2ccccc12 1841807800 WISZGHJFNQGNLQ-UHFFFAOYSA-N 447.491 4.099 5 20 IIBD COc1ccccc1/C=C(/C(=O)OCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 9801822 XHBXHIBBDUTROV-CJLVFECKSA-N 446.459 4.350 5 20 IIBD C[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)N1c2ccccc2C[C@H]1C 10722768 TZNIGXMVVANUSM-MSOLQXFVSA-N 440.499 4.064 5 20 IIBD C[C@H](NC(=O)COC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(Cl)cc1 10722972 FZZOTTPTOGZPNM-INIZCTEOSA-N 448.906 4.229 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)COc1ccc2oc3c(c2c1)CCCC3 10839394 NDIFZTWUQKYXAB-UHFFFAOYSA-N 438.436 4.089 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Oc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 15013641 KGLFIURZJRCETB-UHFFFAOYSA-N 425.253 4.401 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 15390068 PPIUTRJMFHZLGL-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD CCc1nc2ccc(C(=O)OCC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])cc2nc1CC 22003262 NVAJVOOUPVFLNI-UHFFFAOYSA-N 442.859 4.112 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 22502230 XUAIMJTUOKPZCL-CQSZACIVSA-N 426.425 4.210 5 20 IIBD CCOc1ccc(C(=O)O[C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-] 25387742 BFFKLZRUONPPJX-ZIAGYGMSSA-N 426.425 4.162 5 20 IIBD O=C(COc1ccccc1Cc1ccccc1)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 28614735 MDPGWDAROVQQDL-UHFFFAOYSA-N 445.431 4.358 5 20 IIBD Cc1ccc(NC(=O)C(=O)N[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)cc1[N+](=O)[O-] 64297589 YDPQGQPZLVPGGA-FQEVSTJZSA-N 439.418 4.220 5 20 IIBD CN(Cc1cccc(C(F)(F)F)c1)C1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 301104444 OXBCJVPQSSIPAL-UHFFFAOYSA-N 439.463 4.424 5 20 IIBD Cn1c(Sc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)nnc1[C@H]1COc2ccccc2O1 301861495 UARIQTALQSPVFL-OAHLLOKOSA-N 438.387 4.406 5 20 IIBD O=[N+]([O-])c1ccc(N[C@H]2CCN(c3ccc4cc(Br)c(F)cc4n3)C2)nc1 302798434 RLENIXPXLOIRKG-LBPRGKRZSA-N 432.253 4.130 5 20 IIBD CCc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)nnn1-c1cccc(Cl)c1 303376858 KTTQCKVAODQEJS-UHFFFAOYSA-N 437.790 4.245 5 20 IIBD O=C(CCCOc1ccc(Cl)cc1Cl)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 303763940 LMSFJNYISSWGFF-AWEZNQCLSA-N 439.299 4.169 5 20 IIBD COC(=O)c1cc(C(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)cc([N+](=O)[O-])c1 410051122 WLMUQGMWFIYTQV-HSZRJFAPSA-N 446.459 4.226 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCOC2(CCOCC2)C1 427337124 GQFREILLQDTNOP-UHFFFAOYSA-N 432.860 4.062 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[C@H](Nc2ccccc2)C1 427807238 UACJBTSHJHBROA-AWEZNQCLSA-N 430.313 4.167 5 20 IIBD CCCCOc1cccc(NC(=O)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 427893309 IAEGFFJDMJCTCR-UHFFFAOYSA-N 439.390 4.047 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@H](C)C(C)(C)c2ccccc2)cc(Br)cc1[N+](=O)[O-] 430350605 IFDYYYKCZBEGPY-CYBMUJFWSA-N 448.317 4.087 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2C(=O)N(C)[C@@H]2CC[C@@H](C)C2)c1 430466066 RSMSWJSATWMJRH-RHSMWYFYSA-N 445.541 4.273 5 20 IIBD CCOc1cc(NC(=O)Nc2ccc3oc(COC)nc3c2)c([N+](=O)[O-])cc1OCC 431085561 OMABIVUJLGNWPI-UHFFFAOYSA-N 430.417 4.324 5 20 IIBD C[C@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 431572289 TXWOBUAFUWLKGB-JTQLQIEISA-N 436.251 4.046 5 20 IIBD Cc1cc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 435277857 CTVYCHLBFDKMLR-JOCHJYFZSA-N 447.539 4.463 5 20 IIBD CCCN(C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1cccc2ccccc12 435748448 OAGRHCNHOIZVHZ-UHFFFAOYSA-N 431.448 4.458 5 20 IIBD O=C(NC[C@H](CO)Cc1ccccc1OC(F)(F)F)Nc1ccc([N+](=O)[O-])cc1Cl 437576818 IQSGTAMUVNXGIU-LLVKDONJSA-N 447.797 4.120 5 20 IIBD CC[C@H]1Oc2cc([C@H](C)NC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)ccc2NC1=O 437989480 CXAVXSOCBYXDBU-VBKZILBWSA-N 438.484 4.140 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 440000841 DPTMCNQKCKNMKR-UHFFFAOYSA-N 431.420 4.031 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)c1cccc(Cl)c1Cl 440044301 LLCFPSZSVBOVKB-JTQLQIEISA-N 426.256 4.116 5 20 IIBD O=C(NCc1ccc(COC2CCOCC2)cc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 444248504 UQEZHGYIJHWBEA-UHFFFAOYSA-N 442.515 4.307 5 20 IIBD C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ncc(-c2ccccc2)o1 446304927 JVLISMAQEIECKU-LBPRGKRZSA-N 430.258 4.432 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NC1CCN(Cc2ccccn2)CC1 447692504 FWOAPDZOEBKPAE-UHFFFAOYSA-N 431.365 4.115 5 20 IIBD Cc1ccc2nc(COc3ccccc3C(=O)NCCc3ccccc3[N+](=O)[O-])cn2c1 460498829 QYHQYWFDAJIOAK-UHFFFAOYSA-N 430.464 4.102 5 20 IIBD O=C(CNc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)NCCOc1ccc(F)cc1 462224229 CIWRNIVGWYHHRT-UHFFFAOYSA-N 425.416 4.133 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N(CCN1CCCC1)c1ccccc1 462354781 NADHMGUPHKYZIM-UHFFFAOYSA-N 444.340 4.193 5 20 IIBD CCCCN(C)C(=O)C1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 462501495 NJNDCUDVHVYMDA-UHFFFAOYSA-N 426.517 4.044 5 20 IIBD CN(C)C(=O)Cn1ccc2ccc(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)cc21 465154632 WTNQYUOHMUKBGI-UHFFFAOYSA-N 449.492 4.014 5 20 IIBD CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 465635595 KHHVAZRVZGGJFX-QVKFZJNVSA-N 432.471 4.413 5 20 IIBD C[C@H](CO[C@H]1CCOC1)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 466438446 LRGJCRXFFWWXLH-HIFRSBDPSA-N 436.917 4.323 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1nc(-c2ccc(Cl)cc2)cs1 467107135 YLWYFRCUTXRQJN-UHFFFAOYSA-N 431.857 4.324 5 20 IIBD Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)cc1 469474321 LAKASIDEKZRUEG-WAIKUNEKSA-N 435.480 4.170 5 20 IIBD Cn1cc(CCNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c2ccc(F)cc21 471671292 MQHJNJXKOQUKOO-UHFFFAOYSA-N 439.365 4.139 5 20 IIBD Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 471857429 CPODVMFTRNLZCR-GOSISDBHSA-N 434.500 4.063 5 20 IIBD COCCOc1cc(OC)ccc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 472813670 VBYJVZPIMKYXNJ-UHFFFAOYSA-N 443.481 4.313 5 20 IIBD O=C(Nc1cccc2ccccc12)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 473766639 OVZKGWVCUOQTSU-UHFFFAOYSA-N 430.468 4.369 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H]1c2ccccc2CC[C@H]1n1ccnc1 473993848 WUCXUEBMXZBSHS-MJGOQNOKSA-N 443.410 4.443 5 20 IIBD COc1cc(OC)c(OC)cc1CN(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C(C)(C)C 474178432 PTLMFBFWVCSTHM-UHFFFAOYSA-N 445.516 4.168 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)[C@@H](C)c1cn(C)c2ccccc12)c1ccccc1[N+](=O)[O-] 475405277 UFKOEQIQOMLYLL-OXJNMPFZSA-N 437.496 4.389 5 20 IIBD CC(C)(C)CC[C@@H](CO)NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 478595617 PEVNSXXGPITKIJ-INIZCTEOSA-N 445.482 4.133 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1ccncc1Br 479065124 TZGAFQIYWOXBII-UHFFFAOYSA-N 426.226 4.236 5 20 IIBD COC(=O)c1cc(OCC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)ccc1[N+](=O)[O-] 481901107 PELZALAPAMFSKP-UHFFFAOYSA-N 426.469 4.075 5 20 IIBD O=C(N[C@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1)c1ccccc1 482911287 MIINBDSFTNDJPL-NRFANRHFSA-N 437.883 4.078 5 20 IIBD CCN(C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[C@H](C)Cc1ccccc1C(F)(F)F 485272172 HZQYVCQFJJHISH-CQSZACIVSA-N 437.418 4.340 5 20 IIBD C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)cc1Cl 489194975 JBOHAYZHJOTSEI-LBPRGKRZSA-N 441.875 4.391 5 20 IIBD CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1c(C)cccc1[N+](=O)[O-] 489457207 BPWBQNKDNYCGIA-UHFFFAOYSA-N 441.513 4.133 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccnc(OCc2ccccc2)c1 490038941 LYMYZGQSOWFONK-UHFFFAOYSA-N 440.887 4.264 5 20 IIBD C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 499476647 WCKBVYNRJYAMDP-SNVBAGLBSA-N 442.324 4.312 5 20 IIBD CC[C@H](C)C(=O)Nc1cccc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 499973344 BNELIXKRZYXRJZ-SFHVURJKSA-N 441.531 4.456 5 20 IIBD CC(C)NC(=O)c1ccc(N2CCO[C@H](c3cccc(Br)c3)C2)c([N+](=O)[O-])c1 500555553 OJAMUANVFFTZPG-IBGZPJMESA-N 448.317 4.073 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)nc1 500572578 IMLIJJLOIBGJQU-ZDUSSCGKSA-N 438.465 4.000 5 20 IIBD O=C(N[C@@H](Cn1ccccc1=O)c1ccccc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 502024947 USMQAPHRSSAESE-IBGZPJMESA-N 446.488 4.051 5 20 IIBD Cc1ccc2nc(COc3ccc(C(=O)N4CCc5ccc([N+](=O)[O-])cc54)cc3)cn2c1 502810848 MSBDUAKIFZQYIS-UHFFFAOYSA-N 428.448 4.333 5 20 IIBD O=C(NCc1ccco1)[C@@H]1CCCN1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 506439600 PYWNPAMFJCXCIN-FQEVSTJZSA-N 439.443 4.400 5 20 IIBD COCc1ccc(OC)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Nc2ccccc2)c1 506566775 AJFXHVNDJQLRDO-UHFFFAOYSA-N 443.481 4.294 5 20 IIBD Cc1nc2ccccc2c2c(NC(=O)c3ccc(S(=O)(=O)N(C)C)o3)c3ccccc3n12 506588413 ZGZCIMITXZITCG-UHFFFAOYSA-N 448.504 4.045 5 20 IIBD CC1(C)CCc2ccccc2[C@@H](NC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)C1 508329892 IVPQHTLEBFKCIJ-SFHVURJKSA-N 435.480 4.082 5 20 IIBD COc1cc(CN(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)c([N+](=O)[O-])cc1OC 509378198 IOLBIXDQTAXFBU-VQIMIIECSA-N 427.284 4.009 5 20 IIBD CO[C@@H](C)CN(C)[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 513258491 WXRPJGFCARRGRR-YWZLYKJASA-N 440.525 4.365 5 20 IIBD Cc1sc2nc(SCCn3cc([N+](=O)[O-])ccc3=O)n(C3CCCC3)c(=O)c2c1C 513297829 XOYKWFDBNHYCSE-UHFFFAOYSA-N 446.554 4.052 5 20 IIBD C[C@@H]1CCCCN1Cc1ccccc1CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 514164139 FVHGLCWISPYPMY-GOSISDBHSA-N 433.512 4.085 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)Nc1cc([N+](=O)[O-])ccc1C 514511476 SMVXADWETIUSRT-UHFFFAOYSA-N 435.278 4.077 5 20 IIBD O=C(CCNC(=O)c1ccc2ccccc2c1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 515098292 GIEFWPVPCXSFRP-UHFFFAOYSA-N 429.379 4.108 5 20 IIBD CN1C(=O)C[C@@H](c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)[C@H]1c1ccc(Cl)c(Cl)c1 517055885 QIKUUKNSYBAUNF-PIGZYNQJSA-N 448.266 4.221 5 20 IIBD CCCS(=O)(=O)Nc1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(F)cc1F 517670549 ZIQMAVQAXNTANK-UHFFFAOYSA-N 439.396 4.023 5 20 IIBD C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(NC(=O)NC2CC2)cc1 518834976 PFTGICQLKGUYMY-QWHCGFSZSA-N 446.891 4.177 5 20 IIBD O=C(Nc1ccccc1)Nc1cccc2c1CCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C2 518868141 QUQVKQPPSOMILE-UHFFFAOYSA-N 432.436 4.143 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N(CCN(C)C)Cc2ccccc2)cc1[N+](=O)[O-])c1ccccn1 520985630 SECUNRQOUCAYHW-LJQANCHMSA-N 447.539 4.367 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc(N2CCCC2=O)ccc1Cl 521249329 UPNQTOHRCWTKDK-LLVKDONJSA-N 438.267 4.434 5 20 IIBD COc1ccc(CNC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cc1OC1CCCC1 521380924 MNKREYUCKSZECQ-UHFFFAOYSA-N 437.452 4.109 5 20 IIBD COc1cc(C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)c([N+](=O)[O-])cc1OC 521547887 NQZGOEZNNVTECL-UHFFFAOYSA-N 443.843 4.492 5 20 IIBD CN(C)Cc1cccc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c1 522876588 TUPWPFQCFHVNJO-UHFFFAOYSA-N 434.283 4.401 5 20 IIBD Cc1ccc(NCCCNC(=O)NCC2(c3ccccc3C)CCOCC2)c([N+](=O)[O-])c1 523565148 LMULVIVAAJEDAO-UHFFFAOYSA-N 440.544 4.061 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](Cc2ccc(C)cc2)c2ccccn2)cc1OC 524536640 IAXUWJILAZRRHO-HXUWFJFHSA-N 435.480 4.419 5 20 IIBD Cc1ccccc1[C@H]1CN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 525102506 RTQVOKLMDGAFEU-LJQANCHMSA-N 437.418 4.324 5 20 IIBD CCCN(CCC)C(=O)c1ccc(NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)cc1 525557931 KBLZDCZCZZUFPR-UHFFFAOYSA-N 429.473 4.127 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCN(c3ccc(F)cc3Cl)CC2)cc1SC 533862578 NHCDYNHVTHWQPQ-UHFFFAOYSA-N 439.896 4.080 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(C(=O)NCc2ccccc2F)cc1 534621575 HPEVBDLZFUMBIZ-UHFFFAOYSA-N 446.438 4.326 5 20 IIBD CC[C@H](NCCCC(=O)N1CCc2cc(OC)c(OC)cc2C1)c1cccc([N+](=O)[O-])c1 536857605 MCANXKILYKXIPV-NRFANRHFSA-N 441.528 4.018 5 20 IIBD CCCCOc1ccc([C@H](C)NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1OC 537070114 RCIJCDMTNZDHAE-INIZCTEOSA-N 427.501 4.022 5 20 IIBD CC[C@@]1(C)COCCN1C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 537807253 USWWAVKVCXSTHB-DEOSSOPVSA-N 434.496 4.018 5 20 IIBD CCOC(=O)c1c(C)[nH]c(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)c1C 538251065 CRLFFRHLHJBTIO-UHFFFAOYSA-N 428.470 4.117 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 538775232 SWUXCEWLRZQKEJ-UHFFFAOYSA-N 446.510 4.030 5 20 IIBD COc1ccc([C@H](C)NCCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1Br 539270010 HEJCALHXKPTNKR-ZDUSSCGKSA-N 436.306 4.354 5 20 IIBD CC[C@@H](C(=O)N1CCC(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1)c1ccccc1 539840574 GLHKGGQSWXNSHQ-OAQYLSRUSA-N 437.540 4.435 5 20 IIBD CO[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Nc1cccc(C(F)(F)F)c1)c1cnn(C)c1 540603598 PHOGFPPOHXSHQG-GOSISDBHSA-N 449.389 4.417 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)c1nnc2ccccn12 542511675 VTMPOTNLFZFFRL-AWEZNQCLSA-N 425.514 4.411 5 20 IIBD COc1ccc2c(c1)C[C@H](C)N(C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@@H]2C 542860528 YKFNAYYQABVGPV-NWDGAFQWSA-N 436.411 4.361 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC(Oc2cccc(Br)c2)CC1 544764204 RNLGTTBPJKRMNW-UHFFFAOYSA-N 433.302 4.360 5 20 IIBD CC[C@@H](CC(F)(F)F)NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] 544835643 WLOSKGUZWDIGDI-JTQLQIEISA-N 433.408 4.100 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CSCc3nc(O)c4c5c(sc4n3)CCC5)n2)cc1 544931478 KRHSEVWTTDEXCD-UHFFFAOYSA-N 441.494 4.277 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(SCc2ccccc2Cl)cn1 545507734 REXYGTHEZWKMNB-UHFFFAOYSA-N 431.905 4.469 5 20 IIBD O=C(NCc1ccco1)c1cccc(-c2noc(-c3ccc(NC4CC4)c([N+](=O)[O-])c3)n2)c1 545567241 SWCGTMHJJNMUKH-UHFFFAOYSA-N 445.435 4.409 5 20 IIBD CCOc1cc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)ccc1OCc1cccnc1 546491307 WSZPLFSPYSOYJG-UHFFFAOYSA-N 433.424 4.003 5 20 IIBD O=[N+]([O-])c1cccc(-n2cc(-c3nc(Cc4nc5cc(Cl)ccc5s4)no3)nn2)c1 546998686 NYEKQAGVVGHKHL-UHFFFAOYSA-N 439.844 4.079 5 20 IIBD CC(C)(C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl)c1ccc([N+](=O)[O-])cc1F 547240719 IHGHMSFVDLRJHE-UHFFFAOYSA-N 449.788 4.274 5 20 IIBD COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1OC[C@H](O)COc1ccc2ccccc2c1 549783422 NXOUDVVJHHUZGZ-MRXNPFEDSA-N 431.828 4.007 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2CCC(c3c[nH]nc3C)CC2)c([N+](=O)[O-])c1 553561809 NLVHFQYOJOMQLH-UHFFFAOYSA-N 448.479 4.028 5 20 IIBD CCCCC1CCC(C(=O)Nc2ccc(CNC(=O)c3c[nH]nc3[N+](=O)[O-])cc2)CC1 554861483 YGZUGDNQGVOECV-UHFFFAOYSA-N 427.505 4.183 5 20 IIBD CCCOc1cc(NC(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)c([N+](=O)[O-])cc1OCCC 558238121 ZHJDEXKVTQFTSN-WMZOPIPTSA-N 434.537 4.263 5 20 IIBD COc1ccc(CNCc2cn3cc(C)ccc3n2)cc1OCc1ccc([N+](=O)[O-])cc1 560817132 TYEBWTZDEWZJNA-UHFFFAOYSA-N 432.480 4.428 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 562200321 PLGOKJAQFZAPSN-NRFANRHFSA-N 430.936 4.269 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1ccccc1)c1ccccc1OC 565623903 AANCVWDZCAUIEJ-JOCHJYFZSA-N 433.464 4.010 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(Nc2cccc(C(=O)OC)c2)CC1 567203389 MLIJSRJWCQCTOS-UHFFFAOYSA-N 426.473 4.052 5 20 IIBD O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cccc2c1CN(c1nccs1)C2 570965180 FRGWIUXAKGTMLG-UHFFFAOYSA-N 448.508 4.417 5 20 IIBD O=C(NCC1(c2ccccn2)CCC1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 574263476 AFLZEMVNCRAEMV-UHFFFAOYSA-N 446.294 4.334 5 20 IIBD C[C@@H](NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccc(OCC2CC2)c(F)c1 577153946 RNMBPTNOMORLCH-CQSZACIVSA-N 429.448 4.188 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc4c(c3)OCCCO4)cc2[N+](=O)[O-])C1 602094487 ZCYVHJNYKMTLFK-HOTGVXAUSA-N 425.485 4.491 5 20 IIBD CCCN(C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)[C@@H]1CCc2ccccc21 603528448 PGWOYDITPCJZAO-GOSISDBHSA-N 437.525 4.414 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(NC(=O)c2cccnc2)c1 603594911 UDXXAEZGPAWXKM-OAHLLOKOSA-N 436.493 4.039 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)c1cccs1 603841129 IAHNGIMGYDNFEL-HLLBOEOZSA-N 445.541 4.173 5 20 IIBD COC(=O)[C@H](C)CN(C(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1)C1CC1 608851419 SFGFAJFPALOAQM-OAHLLOKOSA-N 428.510 4.468 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCC[C@@H]1C[C@H]1C[C@H]2CC[C@H]1C2 608880582 IQNHKHSNXVAEMO-WNRNVDISSA-N 427.501 4.100 5 20 IIBD O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)c1cc([N+](=O)[O-])cc2c1OCCO2 608937630 FDWCILCIDGFRGH-UHFFFAOYSA-N 443.431 4.276 5 20 IIBD CC[C@H](C)[C@@H](C)N(C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C1CC1 609189974 HZIFKBHDVYDGAM-JKSUJKDBSA-N 445.541 4.435 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCC[C@H](N4CCCC4=O)C3)cc2[N+](=O)[O-])cc1 609531361 SIGYWCGPSZRSSD-SFHVURJKSA-N 439.537 4.281 5 20 IIBD COc1cccc(NC2CCN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)c1 609921744 WZQXLAQDOPFVKI-UHFFFAOYSA-N 438.509 4.444 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2cccc(C(=O)OC(C)(C)C)c2)cc1SC 611425017 HFBINNXKIMUKLO-UHFFFAOYSA-N 432.498 4.211 5 20 IIBD CCOC(=O)CC[C@H]1CCCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 618588007 KMLPOSQAXVTONB-LLVKDONJSA-N 425.354 4.204 5 20 IIBD CCOC(=O)c1cc(C(=O)Oc2ccc(NC(=O)c3ccsc3)cc2)cc([N+](=O)[O-])c1 728888550 YXTVNELDGHBISB-UHFFFAOYSA-N 440.433 4.305 5 20 IIBD CC1=C(C(=O)Nc2ccccc2C(C)C)[C@@H](c2cc([N+](=O)[O-])c(F)cc2F)NC(=S)N1 731429407 XISSCTYAJWUCHV-LJQANCHMSA-N 446.479 4.428 5 20 IIBD C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1csc2ccccc12 731990243 IMTLUAHJEFXESF-IUODEOHRSA-N 429.523 4.353 5 20 IIBD COc1cc(OC)cc(C2=N/C(=C\c3csc(-c4cccc([N+](=O)[O-])c4)n3)C(=O)O2)c1 733087233 OUYOHMJSYYMDMG-NVMNQCDNSA-N 437.433 4.080 5 20 IIBD CC(C)CCSc1ccc(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)cc1[N+](=O)[O-] 733158074 KBPIRBWBQGMWCH-IBGZPJMESA-N 435.590 4.106 5 20 IIBD O=C(/C(=C/c1ccc(F)cc1)c1cccs1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 736173939 LQCVRDWDYKIIED-DAQNXSASSA-N 438.484 4.444 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)C[C@H](C)c2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1C 739138224 GLGQIBKDRRXIDA-LBPRGKRZSA-N 444.431 4.229 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@H](C)Oc3cccc(Cl)c3)CC2)ccc1[N+](=O)[O-] 739382184 WFGSRMUEAUZMTB-AWEZNQCLSA-N 434.876 4.236 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 741526167 OOIGXWQNOLNPSK-AWEZNQCLSA-N 448.932 4.139 5 20 IIBD COc1ccc(CC(=O)Oc2ccc(OCc3nc(C(C)(C)C)no3)cc2)cc1[N+](=O)[O-] 741588429 GZUFGLDKBJBREY-UHFFFAOYSA-N 441.440 4.011 5 20 IIBD COc1c([N+](=O)[O-])cc(NC[C@H](C)Oc2ccccc2F)c([N+](=O)[O-])c1Br 742420587 DBTXGCHDAGINSU-VIFPVBQESA-N 444.213 4.293 5 20 IIBD CCOc1cc(N2CCC(OC(=O)CCc3ccccc3OC)CC2)ccc1[N+](=O)[O-] 744202653 AGVLEJLWYBWTBR-UHFFFAOYSA-N 428.485 4.147 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(=O)Nc1cc(F)ccc1F 744554938 ZCCXWVZCSHZEKT-ZDUSSCGKSA-N 433.411 4.047 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)c(Br)c1 746611469 MNPMIBMOBVCGCZ-UHFFFAOYSA-N 443.662 4.327 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)[C@H]2C[C@H]2c2cccc(Br)c2)cccc1[N+](=O)[O-] 747522656 CWLXLPGRLWUVTP-RCBQFDQVSA-N 447.285 4.340 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1C[C@@H]1c1ccc(Br)cc1 748903296 NFROXZUKOYCBLY-HZPDHXFCSA-N 444.241 4.254 5 20 IIBD O=C(Nc1ccc(-n2cncn2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 749144112 SIRXJUXNVRKNOR-UHFFFAOYSA-N 426.864 4.072 5 20 IIBD Cc1cc(COC(=O)COc2ccc([N+](=O)[O-])c(F)c2)nc(-c2ccc(Cl)cc2)n1 751700223 SOARHWQJSYEJCE-UHFFFAOYSA-N 431.807 4.275 5 20 IIBD COc1cc(CNC[C@]2(O)CCc3ccccc32)ccc1OCc1ccc([N+](=O)[O-])cc1 752124536 JYKFCFJZCBQREW-RUZDIDTESA-N 434.492 4.106 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N(Cc1ccccc1)C[C@H](O)c1ccco1 752777637 WLBOWLYYTCVHSV-QFIPXVFZSA-N 435.480 4.164 5 20 IIBD COc1ccc(NC(=O)C2(NCc3cc(Cl)ccc3[N+](=O)[O-])CCCC2)cc1OC 754667589 BTTCCRDIQUQFNP-UHFFFAOYSA-N 433.892 4.307 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(-c3nc(Cc4ccc([N+](=O)[O-])cn4)no3)cc2[N+](=O)[O-])C1 762324951 LEUWHOMNIBKLRC-KBPBESRZSA-N 438.444 4.021 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)cc1Cl 765498141 AUVIIFTUPDCFEZ-GFCCVEGCSA-N 441.912 4.164 5 20 IIBD CNc1c(C(=O)O[C@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)cccc1[N+](=O)[O-] 765513110 JYBDVQOXHGYCTE-KRWDZBQOSA-N 439.390 4.475 5 20 IIBD Cc1ccc(-c2noc(CCCOC(=O)c3ccc([N+](=O)[O-])c4cccnc34)n2)cc1F 766229286 JWEZWVWFBMLGEB-UHFFFAOYSA-N 436.399 4.430 5 20 IIBD O=C(c1ccc(I)c([N+](=O)[O-])c1)N(c1ccccn1)C1CCCC1 769723198 LEROHLMXZVVMCM-UHFFFAOYSA-N 437.237 4.184 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1nn(-c2ccccc2)c2c1CCC2 770330418 KHJPHDUSZJXOER-UHFFFAOYSA-N 427.258 4.284 5 20 IIBD COc1ccc(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1-n1nnnc1C1CC1 770602050 GYDMNUALCCPUJY-UHFFFAOYSA-N 432.440 4.329 5 20 IIBD CN(CCC1CCN(c2ccncc2)CC1)Cn1c(=S)oc2ccc([N+](=O)[O-])cc21 770652515 WJOZOBKZMHXIHQ-UHFFFAOYSA-N 427.530 4.463 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3csc(-c4ccc([N+](=O)[O-])cc4)n3)n2)c1 771392172 VAKYUUKLBXZUSN-UHFFFAOYSA-N 439.409 4.276 5 20 IIBD CCOc1cc(C(=O)N[C@@H](C)[C@H](O)c2c(Cl)cccc2Cl)c([N+](=O)[O-])cc1OC 771711961 LTPCFJNQAHVRPQ-YPMLDQLKSA-N 443.283 4.161 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] 773894691 VENWXNGSXNXIAW-GTNSWQLSSA-N 425.254 4.311 5 20 IIBD Cc1ccc(-c2nc(N)sc2CC(=O)OCCOc2ccccc2[N+](=O)[O-])cc1C 775831609 FSZZJJQEJMUXGK-UHFFFAOYSA-N 427.482 4.082 5 20 IIBD C[C@@](O)(CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccccc1Cl 781026493 WMZNNTBMUQUKHO-HSZRJFAPSA-N 442.849 4.250 5 20 IIBD CC(C)(C)OC(=O)N1CCC(COC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 781462301 RTDWHGFSJKDIFO-UHFFFAOYSA-N 436.508 4.485 5 20 IIBD Cc1c(C(=O)N[C@@H]2CSc3ccc(Br)cc32)cc([N+](=O)[O-])cc1[N+](=O)[O-] 786021663 RFJGNRWLCUTNNO-CYBMUJFWSA-N 438.259 4.151 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1cc([N+](=O)[O-])ccc1Br 786743238 CLWDPKCQGDUXQG-UHFFFAOYSA-N 445.273 4.177 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)NC2(c3cccc(Br)c3)CCOCC2)c1F 790334099 JQDVAGCWYNZUPH-UHFFFAOYSA-N 437.265 4.241 5 20 IIBD Cc1cc(-c2noc([C@H](C)NC3CCN(c4ccc([N+](=O)[O-])cc4)CC3)n2)ccc1F 792181103 OFCYHWFMNJPSNF-HNNXBMFYSA-N 425.464 4.412 5 20 IIBD CCC[C@@H](NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)[C@H](O)c1ccccc1 792570019 GNFAQZBTPHXMIL-FYYLOGMGSA-N 436.512 4.089 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N1CCC(F)(F)CC1 794292719 PWBIDNCCUORAHJ-UHFFFAOYSA-N 426.423 4.248 5 20 IIBD C[C@@H](OC(=O)[C@@H]1CCC(F)(F)C1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 796382733 WPSFLSGSFJIQMU-ZYHUDNBSSA-N 425.413 4.024 5 20 IIBD O=C(OCc1cncn1CC(F)(F)F)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 797118464 GCMVULSZBZOSNO-UHFFFAOYSA-N 434.374 4.323 5 20 IIBD COC(=O)/C=C/c1ccc(OC)c(OC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 797316597 UCIXSIFAYWKPCU-XBXARRHUSA-N 425.315 4.028 5 20 IIBD C[C@H](C(=O)OCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1ccc([N+](=O)[O-])cc1F 800979900 DFZTYVNMYXTNIC-JTQLQIEISA-N 449.378 4.003 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 801897727 JLKVEQDUZMKVDJ-KRWDZBQOSA-N 444.337 4.205 5 20 IIBD Cc1ccc(-n2cnn(CNNc3cc([N+](=O)[O-])ccc3Br)c2=S)c(C)c1 802741277 NELDJUANYFFVPA-UHFFFAOYSA-N 449.334 4.265 5 20 IIBD COc1ccc2cc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)ccc2c1 804306483 DKCIJXAOQSBQHM-KRWDZBQOSA-N 425.466 4.061 5 20 IIBD O=C(Nc1cncc(Cl)c1Br)c1ccc(Br)c([N+](=O)[O-])c1 808872537 SYTASJZTCDGQEY-UHFFFAOYSA-N 435.459 4.421 5 20 IIBD Cc1cc(NC(=O)N2CCC([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)ccc1[N+](=O)[O-] 810202281 VRBJMMOLFMIECF-KRWDZBQOSA-N 432.521 4.404 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 810319187 AQKGVCWPDKHXHR-UHFFFAOYSA-N 449.261 4.418 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2c(F)cc(C(F)(F)F)cc2F)c([N+](=O)[O-])c1 811417583 BSHDOCWJGSLWMY-UHFFFAOYSA-N 448.300 4.086 5 20 IIBD COCCn1c(Cn2ccc3ccccc32)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 812169617 OJOQYPVBEZEBRW-UHFFFAOYSA-N 446.511 4.005 5 20 IIBD Cc1nn(C)c2cc(NC(=O)N3CCc4c(Br)ccc([N+](=O)[O-])c4C3)ccc12 812991366 GKQHCWDEVVCMMI-UHFFFAOYSA-N 444.289 4.143 5 20 IIBD O=[N+]([O-])c1cccc(Br)c1CNc1ccccc1CN1CCC(CO)CC1 864022902 VSMHWVRPPSAOJM-UHFFFAOYSA-N 434.334 4.174 5 20 IIBD COc1cc(CNc2ccc3c(c2)nc(C(F)(F)F)n3[C@H](C)CO)c([N+](=O)[O-])cc1F 864039704 JGDUNDDUEXUWMB-SNVBAGLBSA-N 442.369 4.276 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cc(-c2ccc(Cl)cc2)[nH]n1 914800374 BRXJOEAHXWUNIU-UHFFFAOYSA-N 425.788 4.045 5 20 IIBD Cc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 917924350 OFUBRKBNYVIXTB-INIZCTEOSA-N 425.304 4.192 5 20 IIBD CNC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 918650330 SGSMPYSTMKKAMC-KBPBESRZSA-N 444.919 4.342 5 20 IIBD Cc1cccc(C(=O)OCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)c1[N+](=O)[O-] 918802990 KAZHAUXOBKCRDA-QFIPXVFZSA-N 436.489 4.296 5 20 IIBD CCOC(=O)c1c(C)oc2ccc(OS(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])cc12 920315600 XIWXBYSQQIHIBO-UHFFFAOYSA-N 439.829 4.247 5 20 IIBD O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1nn(-c2ccccc2F)cc1Br 1317954492 RVRHLPGVFTXMKD-UHFFFAOYSA-N 438.184 4.178 5 20 IIBD O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1nc(-c2ccccc2)oc1C1CC1 1321895146 JJOCABBFDUULOE-UHFFFAOYSA-N 449.419 4.282 5 20 IIBD O=C(c1coc(-c2ccc(Br)cc2F)n1)N1Cc2ccc([N+](=O)[O-])cc2C1 1337380847 JNPIKKUVPUHHQX-UHFFFAOYSA-N 432.205 4.307 5 20 IIBD Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc(F)c4[N+](=O)[O-])cc3)CCC2)n1 1790698061 LHKLIFDRVFTGRZ-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3cc(F)ccc3[N+](=O)[O-])CC2)CCC1 1823711895 SMCPEICMCVSWOS-FQEVSTJZSA-N 445.535 4.086 5 20 IIBD C[C@@H]1C[C@@]1(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1830228233 QRLCMAKQTDYQFD-FCWFQBEHSA-N 439.556 4.274 5 20 IIBD CCCc1ccc(C(=O)N2CC3(CCCN3C(=O)c3c(F)ccc([N+](=O)[O-])c3C)C2)cc1 1845493760 ZWWNGQOKQIFDMP-UHFFFAOYSA-N 439.487 4.126 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccccc1NC(=O)c1ccsc1 12717148 GYFYTHQISMOLDB-UHFFFAOYSA-N 439.449 4.013 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)c1 16822986 CVYNKFZIYMHKFN-ZDUSSCGKSA-N 439.390 4.213 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccs3)n2C2CC2)c([N+](=O)[O-])c1 18597344 LADWFVFBUNGMNF-LLVKDONJSA-N 445.526 4.378 5 20 IIBD CC(C)n1c(S[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nc2ccccc2c1=O 24288312 POCWCTIUXRVXJN-GFCCVEGCSA-N 430.461 4.144 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1[N+](=O)[O-] 24870379 KJRVFZWABGCAGH-UHFFFAOYSA-N 431.477 4.379 5 20 IIBD COc1ccc(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])cc1OCc1cccnc1 60462584 HECBAJRXTOBXLQ-UHFFFAOYSA-N 437.452 4.293 5 20 IIBD Cc1cc(NCc2cn3cc(Br)ccc3n2)nc(-c2ccc([N+](=O)[O-])cc2)n1 60861013 BPICKBYWGFVZJD-UHFFFAOYSA-N 439.273 4.383 5 20 IIBD CCCN(C(=O)c1ccc(OCC)c([N+](=O)[O-])c1)C1CCN(C(=O)c2ccccc2)CC1 110211272 NFASGGSXJNXLNY-UHFFFAOYSA-N 439.512 4.151 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@@H]2CCSc3ccc(F)cc32)ccc1[N+](=O)[O-] 110323746 ZAHNKSHOJLTQRV-MJGOQNOKSA-N 443.500 4.000 5 20 IIBD Cc1ccccc1C1(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCOCC1 115750163 JQKJQYICHFEIET-UHFFFAOYSA-N 440.543 4.328 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)Cc2cccc(Br)c2)cc1OC 195678021 VOZZHNNFLIWUIP-GFCCVEGCSA-N 437.290 4.126 5 20 IIBD CCOC(=O)c1csc([C@H]2CCCN2c2ccc(Br)cc2[N+](=O)[O-])n1 302685397 AWLNSTAHXNECAY-CYBMUJFWSA-N 426.292 4.332 5 20 IIBD CC(C)(C)c1nc(CN2CCCN(C(=O)c3cc4ccccc4c4cccnc34)CC2)no1 409623082 RCGLLVZXZKSCOE-UHFFFAOYSA-N 443.551 4.417 5 20 IIBD O=C(Nc1nc(CN2CCCCC2)cs1)c1ccc(Br)cc1[N+](=O)[O-] 431521662 RPVGMYHKEQKDHA-UHFFFAOYSA-N 425.308 4.052 5 20 IIBD CN1C(=O)c2cc(Br)ccc2N[C@@H]1c1ccc(Br)cc1[N+](=O)[O-] 433374995 OICXYRRHWKIZFM-AWEZNQCLSA-N 441.079 4.316 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(S(=O)(=O)c3c(Cl)cc(F)cc3Cl)CC2)cc1 435431446 INUUPRCHAHTOAP-UHFFFAOYSA-N 449.287 4.273 5 20 IIBD C[S@@](=O)C1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CCC1 435750686 OHKOJBGTZKMEJY-RUZDIDTESA-N 427.320 4.008 5 20 IIBD O=C(NCCOc1ccc(Cl)cc1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 435835180 LPFLSAVCBRUSMW-UHFFFAOYSA-N 428.822 4.422 5 20 IIBD O=C(Nc1cccc(C(=O)N2CCSCC2)c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 436241378 SDZIIKQXNJFQCG-UHFFFAOYSA-N 443.528 4.123 5 20 IIBD O=C(Nc1ccnc2ccncc12)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 443644568 YNHHYHJAZHHRHM-UHFFFAOYSA-N 429.223 4.283 5 20 IIBD CCCc1noc2nc(-c3ccco3)cc(C(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)c12 444632766 QPXKUIQDWKDBEL-UHFFFAOYSA-N 446.423 4.150 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(-c3cc(-c4ccco4)nc4onc(C(C)C)c34)n2)n1C 445607055 CTKZACSUDLESGT-UHFFFAOYSA-N 435.400 4.273 5 20 IIBD CCN(C(=O)Cc1noc(-c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)n1)c1ccccc1 445674945 VPBUBJOVEJMLGV-UHFFFAOYSA-N 449.511 4.477 5 20 IIBD O=C(CSCc1ccc(Br)cc1F)N1CCc2ccc([N+](=O)[O-])cc2C1 446439364 RPTKDYZYXJLMFC-UHFFFAOYSA-N 439.306 4.315 5 20 IIBD Cc1c(CN[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] 462188991 JLZMBUGTYBNZRW-QFIPXVFZSA-N 446.475 4.464 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(Nc3cnn(C(F)F)c3)c([N+](=O)[O-])c2)c(C)c1 463573040 YDAXCONJIIFVGG-UHFFFAOYSA-N 437.428 4.348 5 20 IIBD Cc1noc(-c2ccccc2)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 463777580 YKQIPVXHXHBVDH-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD CC[C@H](C)n1ncc2c(C(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)cc(C)nc21 464644159 RNSJQDYVSPCFND-INIZCTEOSA-N 437.500 4.303 5 20 IIBD COC[C@H](C)Oc1ccc(Cl)cc1N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 468821425 DHLYNJQYSMUSQN-QWHCGFSZSA-N 437.880 4.110 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCSc3ccc(F)cc32)c(C(F)(F)F)c1 468899931 KLGZUPVVCJWEFD-UHFFFAOYSA-N 436.408 4.444 5 20 IIBD CC(C)(C)[C@H](CC1CCCCC1)NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 469436749 QEZPAHVCHDGDOM-IBGZPJMESA-N 429.517 4.363 5 20 IIBD C[C@@H](CCNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1cccc(C(F)(F)F)c1 469997993 DFXWRHUZRYWTQV-ZDUSSCGKSA-N 438.402 4.237 5 20 IIBD CCS(=O)(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)s1 471282793 OMFYGXVCPZTILQ-UHFFFAOYSA-N 446.506 4.172 5 20 IIBD COc1ccc(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(I)c1 471912813 XTHGUAOLWYXKSW-NSHDSACASA-N 440.237 4.007 5 20 IIBD Cc1nc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])oc1-c1ccc(Cl)cc1 472338890 KXOTWMNXMVFJHF-UHFFFAOYSA-N 442.280 4.344 5 20 IIBD NC(=O)c1ccc(CN2CCSC[C@H]2c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 473182337 NLNXOAHWCANGPW-KRWDZBQOSA-N 425.432 4.003 5 20 IIBD C[C@H](CCNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)N(C)Cc1ccccc1 474156147 ZAWMLACJWUXZAI-MRXNPFEDSA-N 441.919 4.117 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)c1C 480926121 KQCZUWCNDZGABH-KRWDZBQOSA-N 441.509 4.225 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](N[C@@H]1CCSC1)c1ccccc1 481609906 PDXHUJLDJFILRD-DYVFJYSZSA-N 436.331 4.132 5 20 IIBD CC[C@@H](CNC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])Oc1ccccc1Cl 482595950 GYLCPDHJDLJIGI-NSHDSACASA-N 444.818 4.446 5 20 IIBD C[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)Oc1ccccc1Br 482816795 ROLWWHRAGDSAEI-LBPRGKRZSA-N 425.304 4.033 5 20 IIBD CC(=O)Nc1ccc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c(C(F)(F)F)c1 488435701 QLKMNJPGBLKBDA-UHFFFAOYSA-N 433.346 4.010 5 20 IIBD O=C(NC[C@H](CO)Cc1ccccc1C(F)(F)F)Nc1ccc([N+](=O)[O-])cc1Cl 489590130 YXVVBZQAOZWFQG-LLVKDONJSA-N 431.798 4.240 5 20 IIBD COc1cc(OC)c(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])cc1Br 490936917 JTTIVXCGRWOECD-UHFFFAOYSA-N 427.276 4.349 5 20 IIBD Cc1ccc(NC(=O)CN(C)C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1 492049790 SDBDNPCKLCEECU-UHFFFAOYSA-N 433.464 4.193 5 20 IIBD CCc1ccc([C@@H](CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])N(C)C)cc1 497815567 TWNDVEFDNDJRMU-LJQANCHMSA-N 439.434 4.131 5 20 IIBD COc1ccc(NC(=O)CNc2cccc(C(=O)Nc3ccccc3)c2C)c([N+](=O)[O-])c1 498647901 YGBOOIVJEHZDON-UHFFFAOYSA-N 434.452 4.215 5 20 IIBD C[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1cccc(OCc2ccccn2)c1 498750808 IIJORVOGCFZLDU-QGZVFWFLSA-N 430.464 4.401 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 499880224 IGIIIMZBUWKSLF-QUCCMNQESA-N 432.908 4.058 5 20 IIBD COc1cccc(OC)c1OC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 501924317 GUNWXQAKPOARBX-UHFFFAOYSA-N 426.425 4.042 5 20 IIBD COc1ccc(Br)c(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 502784455 NNSZXPFSWXDEGW-LLVKDONJSA-N 425.304 4.163 5 20 IIBD COc1cc(CSc2nnc(-c3cccs3)n2C)c([N+](=O)[O-])cc1OCC(F)F 502869017 FWIOSLOFEORMLE-UHFFFAOYSA-N 442.469 4.397 5 20 IIBD CC(C)(NC(=O)N[C@H](c1cncc(Br)c1)C1CC1)c1ccc([N+](=O)[O-])cc1 505360269 RMPSPPDDIHBIEC-KRWDZBQOSA-N 433.306 4.438 5 20 IIBD COc1cc(CN2CCN(c3ccccc3O)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 505842430 JKIONFNGVFGKRS-UHFFFAOYSA-N 449.507 4.210 5 20 IIBD COC(=O)C(C)(C)CCN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 506660612 CCKZWJJBCJMDCQ-GOSISDBHSA-N 433.892 4.107 5 20 IIBD CN(CCCc1cc(-c2ccccc2)no1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 509681403 OSDUQTWVVMZVCV-UHFFFAOYSA-N 435.889 4.157 5 20 IIBD COc1cc(C)c(CN(C)C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1OC 509699649 QQNJPUJHECDPSQ-UHFFFAOYSA-N 437.290 4.264 5 20 IIBD CC(C)CN(C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)C1CCN(C)CC1 509918764 UQXBGFUYPRNSHD-SFHVURJKSA-N 439.560 4.355 5 20 IIBD C[C@@H]1CN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc([N+](=O)[O-])cc2)CCC3)C[C@@H]1O 512086050 AKJRCVPTTLQPSU-GIXNKHKXSA-N 443.503 4.473 5 20 IIBD CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 512295395 SRKJQCVYHDMJQM-XMMPIXPASA-N 431.492 4.021 5 20 IIBD Cc1cccc(Oc2ccccc2CNC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c1 513404132 BTJHESIVYUSSBL-UHFFFAOYSA-N 440.477 4.029 5 20 IIBD C[C@@H]1CCC[C@@H](OCCCCCC(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 514686747 JXOHAVXUSVGREX-WOJBJXKFSA-N 445.560 4.035 5 20 IIBD COC(=O)c1ccc(OCc2csc(N(C(C)=O)c3ccc(C)cc3)n2)c([N+](=O)[O-])c1 515605879 YUNKPJFPLVXENA-UHFFFAOYSA-N 441.465 4.410 5 20 IIBD CCOC(=O)c1c(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)sc(C)c1CC 517306375 NHSHDNWKTFZXFG-UHFFFAOYSA-N 428.470 4.142 5 20 IIBD COc1ccc(CNC(=O)CN(Cc2ccco2)c2cccc(Cl)c2)cc1[N+](=O)[O-] 518905189 JKLZTHCBSYZZIG-UHFFFAOYSA-N 429.860 4.173 5 20 IIBD COc1cc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)c(OC)cc1NC(=O)c1ccccc1 520457007 LXZXBNHBNPPISP-UHFFFAOYSA-N 435.436 4.425 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)Cc1csc(C(C)(C)C)n1)c1ccccc1[N+](=O)[O-] 524159948 AXRYCALOLSRWIL-MRXNPFEDSA-N 433.530 4.091 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N(Cc1ccc2c(c1)CCO2)C1CCCC1 524389558 OJNSUZWBHBMBEG-UHFFFAOYSA-N 432.480 4.300 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H](O)COc3ccccc3Br)o2)cc1 532213336 MDJSHFWRNZPNRD-INIZCTEOSA-N 447.285 4.147 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 532707350 YTZGPJBDPMGMHV-NZQKXSOJSA-N 431.496 4.164 5 20 IIBD COc1cc(CCNC(=O)N[C@@H](c2ccc(F)c(C)c2)C2CC2)c([N+](=O)[O-])cc1OC 533955409 KCZYUMUBTBLKRN-OAQYLSRUSA-N 431.464 4.053 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1nnc(Cc2cccc(Cl)c2)s1 534693719 ZYJOCGJHZXBOAG-UHFFFAOYSA-N 427.873 4.353 5 20 IIBD COc1ccc(NC(=O)CN(Cc2cccc(-c3cccnc3)c2)C2CC2)c([N+](=O)[O-])c1 535272474 YQKFVGLDOCZHBM-UHFFFAOYSA-N 432.480 4.269 5 20 IIBD C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 538797925 FLQXBUNUHRDRLB-CHWSQXEVSA-N 441.488 4.162 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2ccnc(Oc3ccccc3F)c2)c1 540596079 MUPRIGWTOIXELB-UHFFFAOYSA-N 425.416 4.315 5 20 IIBD Cc1cc(C)c(NC(=O)CN(C)C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c(C)c1 541263242 HBFLLDIRWFJHFC-UHFFFAOYSA-N 435.933 4.363 5 20 IIBD COc1ccc(NC(=O)c2cccc(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)c2)cn1 541605885 ZOSRAEPAKVYFSZ-CYBMUJFWSA-N 438.415 4.132 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N1C[C@H]2[C@@H](O)CC[C@H]2C1 542423553 GTLYPGYENRGZNY-FYLPTCEYSA-N 449.532 4.365 5 20 IIBD COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F 543456499 KIQBNKHAPGTEIQ-AWEZNQCLSA-N 431.464 4.100 5 20 IIBD CCc1ccc([C@H](NC2CCN([C@H]3CCCC[C@H]3O)CC2)c2ccc([N+](=O)[O-])cc2)o1 544381991 LDJZDZSIXPROKX-WMTXJRDZSA-N 427.545 4.197 5 20 IIBD C[C@]1(CCCO)CCCN1C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 544542511 UVISJFYLIIVWSF-RUZDIDTESA-N 448.523 4.144 5 20 IIBD C[C@@H](C(=O)NCc1ccccc1CN(C)Cc1ccco1)c1ccc([N+](=O)[O-])cc1F 544564603 FKDUUUVKRQDFMK-MRXNPFEDSA-N 425.460 4.379 5 20 IIBD COc1ccc(-n2c(C)nnc2SCc2nc(-c3ccc([N+](=O)[O-])cc3C)no2)cc1 545690637 IXYBSEHDUWQCKL-UHFFFAOYSA-N 438.469 4.143 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(NC(=O)c2cccnc2)c1 547316080 IMBPMUHMPCJKGQ-IBGZPJMESA-N 432.480 4.127 5 20 IIBD COc1cc(C(=O)N2CC[C@@](F)(c3cc(F)cc(F)c3)C2)c([N+](=O)[O-])cc1OC(F)F 551362094 IERCNGDGKUVRTI-IBGZPJMESA-N 446.328 4.194 5 20 IIBD O=C(N[C@H](c1c[nH]c2ccccc12)C(F)(F)F)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 553487421 UUASIUCRNVRHGT-GOSISDBHSA-N 429.358 4.295 5 20 IIBD COc1cc(OCC(=O)Nc2c(-c3ccccc3)nc3c(C)cccn23)ccc1[N+](=O)[O-] 557480850 CUNSNUMEPXRRFK-UHFFFAOYSA-N 432.436 4.244 5 20 IIBD Cc1noc([C@@H]2CCCCN2C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1 557766741 BDBDLHBJMSQVNY-KUHUBIRLSA-N 436.472 4.222 5 20 IIBD CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)c2cc3ccccc3c3cccnc23)s1 561455644 JLAJBLVTCKQIRZ-KGLIPLIRSA-N 433.537 4.195 5 20 IIBD CCCOc1cc(OC)ccc1-c1nc(Cc2cc(OC)cc(OC)c2[N+](=O)[O-])no1 564279292 KHNZPFRAIIZCFS-UHFFFAOYSA-N 429.429 4.050 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(-c3ccc4ncn(-c5ccc(Cl)cc5)c4c3)n2)n1C 570246600 OQGKSKZAUODFQA-UHFFFAOYSA-N 435.831 4.346 5 20 IIBD Cc1cc(Br)cc(C)c1N1CCC[C@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])C1 574593408 QSRKQKATSGVBOK-HNNXBMFYSA-N 447.333 4.154 5 20 IIBD C[C@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 578780955 RUNSTBZXHGGCBO-LLVKDONJSA-N 439.287 4.485 5 20 IIBD C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 580234175 KERIQLNAGURAIR-QGZVFWFLSA-N 441.535 4.007 5 20 IIBD CCCCOc1ccc([C@H](C)NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1OC 603921053 MFOMRHBKQMNEKL-INIZCTEOSA-N 438.484 4.459 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2-c2nnc3n2CCCCC3)c(Cl)c1 603973120 HASMYGPQCPWFTF-UHFFFAOYSA-N 447.904 4.034 5 20 IIBD COCCOCc1cccc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1 604098400 BCYNRBWQEGOWKI-QZTJIDSGSA-N 441.528 4.492 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(-c3ccccc3)cn2)ccc1[N+](=O)[O-] 608812719 ZVAPNACEHBXECP-OAQYLSRUSA-N 430.464 4.209 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2c(C)cnn2[C@H]2CCCc3ccccc32)cc1[N+](=O)[O-] 609321536 FFRMQEZLHRXWTE-IBGZPJMESA-N 426.498 4.135 5 20 IIBD COc1cc(-c2noc(-c3ccn(-c4cccc([N+](=O)[O-])c4)n3)n2)cc(Cl)c1OC 609475140 WYDZXYGGGMFMRP-UHFFFAOYSA-N 427.804 4.168 5 20 IIBD O=C(NC1CC1)c1ccc(N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)c([N+](=O)[O-])c1 609670730 JBOLRODEFWHNAE-INIZCTEOSA-N 434.418 4.197 5 20 IIBD O=C(CCN1C(=O)c2ccccc2C1=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609756107 WMXQVEWSMDTKRR-UHFFFAOYSA-N 431.404 4.012 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)NC1CCN(C[C@@H]2CCOC2)CC1 609930621 WCDMXSDQURMGIX-KRWDZBQOSA-N 440.500 4.010 5 20 IIBD COc1ccccc1CN(C[C@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])cc1Br 610039972 AZDOTPMFVIBKNK-MRXNPFEDSA-N 449.301 4.187 5 20 IIBD O=C1CCc2ccc(NC(=O)c3ccn(-c4c(Cl)cc([N+](=O)[O-])cc4Cl)n3)cc2N1 610204083 UUYFFZGGINYHJU-UHFFFAOYSA-N 446.250 4.224 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 610668257 UGEDVHJHVPMJML-NXEZZACHSA-N 449.145 4.099 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CCc3sc(Br)cc3C2)c1Br 612449033 OCXFAGMUXBWAPL-UHFFFAOYSA-N 433.125 4.447 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 617761750 KSVGNVWDAURBCG-HXOBKFHXSA-N 448.523 4.160 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)c3ccsc3)cc2)cc1[N+](=O)[O-] 619776410 DGZDBBWJVRUTRO-CQSZACIVSA-N 445.522 4.257 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@H]1CCCN(Cc2ccccc2)C1 620737317 ANHULBJKZXVPLZ-JOCHJYFZSA-N 439.559 4.183 5 20 IIBD C[C@H](OC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C(=O)N[C@H](C)c1ccc2ccccc2c1 725936729 HYCYWQYMHJEZKY-OLZOCXBDSA-N 428.391 4.449 5 20 IIBD CC(=O)c1cccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)c1 727472514 OZQKLVHVVXKRSO-UHFFFAOYSA-N 436.390 4.170 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)cc1[N+](=O)[O-] 727855025 XYCNNGZUVHMKEY-UHFFFAOYSA-N 449.423 4.385 5 20 IIBD Cc1nn(CN2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)c(C)c1[N+](=O)[O-] 731496051 YKHOJVZYRUQOAO-UHFFFAOYSA-N 438.463 4.207 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccc(Br)cc1F 732028024 KPROYLVBENMZMO-VIFPVBQESA-N 431.645 4.234 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H]1CC(c2cc(F)ccc2F)=NO1 732629841 XESOHLWXQUTMMV-KRWDZBQOSA-N 430.392 4.128 5 20 IIBD O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1 733084048 VXQANTMARKJBJP-WQLSENKSSA-N 447.432 4.281 5 20 IIBD COC(=O)c1oc2ccccc2c1COC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 735147558 FOHGNTPFZYZIKS-UHFFFAOYSA-N 433.800 4.293 5 20 IIBD C[C@@H]1CCN(C(=O)COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c2ccccc2S1 740386678 DBKHBNCBQYJASI-OAHLLOKOSA-N 428.510 4.333 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 742264193 UEPNHVFHFGYVTF-AWEZNQCLSA-N 444.488 4.240 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 742408121 WMSYDPVNYBFTCY-CQSZACIVSA-N 436.390 4.261 5 20 IIBD COc1ccc(O[C@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc1 742778832 MVCHMDJOWKJKCV-QGZVFWFLSA-N 427.501 4.037 5 20 IIBD Cc1ccc(C[C@@H](OC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C2CC2)cc1 744263355 SFLSNRVBNKQJEF-LJQANCHMSA-N 438.509 4.361 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Br)c1nc(Cc2ccccc2)no1 744914989 GXOFUYBUZCBMBH-NSHDSACASA-N 432.230 4.249 5 20 IIBD CC(C)n1cc(Br)cc1C(=O)O[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 745463032 OOSLZZBXKHQFMK-JTQLQIEISA-N 442.241 4.063 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)c1ccc2c(c1)COC2 746542842 NIBFLZBXCZHPKD-UHFFFAOYSA-N 432.432 4.277 5 20 IIBD O=C(COC(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1)Nc1ccccc1[N+](=O)[O-] 747190297 HCQUYYGFOWVMEJ-UHFFFAOYSA-N 435.367 4.338 5 20 IIBD CCCCCSc1nc2ccc(NC(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)cc2s1 747903580 MDTIAJNTLBGNLI-UHFFFAOYSA-N 432.527 4.287 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Oc1cccc(C(=O)N2CCc3ccccc3C2)c1 751182309 FVWJYHGSFFENRL-UHFFFAOYSA-N 445.475 4.201 5 20 IIBD COc1ccc(CNC[C@@]2(O)CCc3ccccc32)cc1OCc1ccc([N+](=O)[O-])cc1 752123099 PIZMJLBIYUIBOI-VWLOTQADSA-N 434.492 4.106 5 20 IIBD CCCc1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cnn1-c1cccc(F)c1 753264619 RWSYEZRRAJNWBJ-UHFFFAOYSA-N 427.392 4.341 5 20 IIBD C/C(=C/C(=O)O[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1OC(F)F 753536550 QPIBWVLSTBGILQ-MMRAYRKESA-N 438.358 4.309 5 20 IIBD Cc1cccc(N2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)CC2)c1C 754633888 YEDKSZJKENJFDI-UHFFFAOYSA-N 436.281 4.076 5 20 IIBD O=C(COC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)Nc1nc(-c2ccc(F)cc2)cs1 754782828 KJYLMBRQKNCHLI-UHFFFAOYSA-N 441.396 4.399 5 20 IIBD Cc1nccc(NCc2cccc(C(=O)OCc3coc(-c4ccc([N+](=O)[O-])cc4)n3)c2)n1 754950618 IRKGGAZYZOZTGA-UHFFFAOYSA-N 445.435 4.317 5 20 IIBD Cc1c(C(=O)N[C@@H](C)Cc2cc(Br)ccc2F)cc([N+](=O)[O-])cc1[N+](=O)[O-] 755152993 XQAIEZFANIUSDS-VIFPVBQESA-N 440.225 4.074 5 20 IIBD CCOc1cc(COC(=O)c2nc(CC)n(-c3ccccc3Cl)n2)ccc1[N+](=O)[O-] 755528454 FTMPLSIIFUTLCX-UHFFFAOYSA-N 430.848 4.147 5 20 IIBD C[C@H](OC(=O)CCc1cccc([N+](=O)[O-])c1)C(=O)N(c1nccs1)C1CCCCC1 756524009 CFFMMCGTEWEPAX-HNNXBMFYSA-N 431.514 4.282 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 757240969 JUSQVHXFRNBFDV-UHFFFAOYSA-N 448.270 4.076 5 20 IIBD C[C@@H](OC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)c1ccc(F)cc1F 759865125 YIPBVNKZIAOQNJ-SECBINFHSA-N 432.301 4.118 5 20 IIBD Cc1cc(C(=O)O[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)ccc1NC(=O)CC(C)C 759926204 AOXWHZDALQEQSC-MOPGFXCFSA-N 428.489 4.425 5 20 IIBD CC(C)(c1ccc(NC(=O)C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc1)C(F)(F)F 760258275 ZZBDROWEGNEIPM-UHFFFAOYSA-N 443.809 4.343 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)c1F 760356368 NVISEQSUJSRVHA-LJAQVGFWSA-N 448.497 4.151 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)c(O)c1 761968108 HEGJLXZZPPZGAD-UHFFFAOYSA-N 441.444 4.352 5 20 IIBD O=C(NN1CCCC1=O)c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2 762645542 FQRCHVAGJQLAMF-BMRADRMJSA-N 442.475 4.287 5 20 IIBD C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 765053752 AUPITAABCHGSSQ-SJLPKXTDSA-N 442.516 4.308 5 20 IIBD C[C@H](NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cc(F)ccc1N1CCC(O)CC1 765989323 YKZHTGSYMKALAT-KRWDZBQOSA-N 442.535 4.015 5 20 IIBD C[C@H](NC(=O)COC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccc2ccccc2c1 766229216 ADGYOOYTOQPKHT-HNNXBMFYSA-N 429.432 4.330 5 20 IIBD CC(C)([C@@H](OC(=O)CCCOc1cccnc1)c1ccc(Br)cc1)[N+](=O)[O-] 774367332 HYGZQTDKPAEKHI-SFHVURJKSA-N 437.290 4.343 5 20 IIBD C[C@@H](C(=O)OCc1nc2ccc(Br)cc2n1C)c1ccc([N+](=O)[O-])cc1F 775169859 MFSBYEFJSWCOAR-SNVBAGLBSA-N 436.237 4.230 5 20 IIBD CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 775495232 DTWXVFWAYQMQCN-UHFFFAOYSA-N 439.453 4.477 5 20 IIBD O=C(O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])[C@@H]1CC(c2cc(F)ccc2F)=NO1 776131229 DWGPEHKOZNSYCQ-SFTDATJTSA-N 439.374 4.094 5 20 IIBD CC1(C)CC(=O)c2cc(C(=O)O[C@@H](c3cccnc3)c3ccccc3[N+](=O)[O-])c(O)nc2C1 776140058 ZCDDZDKZLJPLGT-NRFANRHFSA-N 447.447 4.192 5 20 IIBD Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(-c2ncco2)c1 777645293 RCVYWPSOAOORKJ-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD C[C@@H]1CCCCN1Cc1ccccc1CNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781600644 CDMYNOAWHXIEQX-QGZVFWFLSA-N 440.500 4.126 5 20 IIBD COC[C@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1cccc(C(F)(F)F)c1 782530325 XTKCKRRBLDNXDY-KRWDZBQOSA-N 429.370 4.059 5 20 IIBD CN(C)c1ccc(COC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc1[N+](=O)[O-] 784492674 DFHYQCHROFVJPN-UHFFFAOYSA-N 431.395 4.270 5 20 IIBD CN(C)C(=O)Sc1cccc(COC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c1 786786793 VSTSBYRBBLDCLT-UHFFFAOYSA-N 441.465 4.039 5 20 IIBD C[C@@H](N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 788799383 DPNPYOILLDEGGX-PSLIRLAXSA-N 448.239 4.343 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1 791499158 JHWFWJXMDUABOA-UHFFFAOYSA-N 434.880 4.191 5 20 IIBD COc1ccc([C@H](OC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)[C@H](C)n2cccn2)cc1 791794395 CRRVAAFXMTZRBI-YCRPNKLZSA-N 425.441 4.276 5 20 IIBD C[C@@H](c1cn(-c2ccccc2)nn1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 792896254 FONTUBLZBWZPSC-ZDUSSCGKSA-N 428.290 4.057 5 20 IIBD CCn1ncnc1COC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 801214811 UVHSEKYTIIHSBR-LFIBNONCSA-N 449.492 4.490 5 20 IIBD CC(C)N(Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)cc1)C[C@@H]1CCCCO1 801937248 IGZVWWVIKQTYBW-SFHVURJKSA-N 444.507 4.348 5 20 IIBD C[C@H](OC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)C(=O)NCc1ccccn1 805955891 KMPNHVYMZQHWMC-HNNXBMFYSA-N 437.477 4.003 5 20 IIBD C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(N2CCCCC2=O)cc1 812389057 OQCWOYFGSDITJK-ZDUSSCGKSA-N 446.301 4.365 5 20 IIBD Cc1cnc(Br)c(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 813004452 YGLDHVNQGCYGAH-UHFFFAOYSA-N 435.278 4.136 5 20 IIBD Cc1ccc([C@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@@H](C)S(C)(=O)=O)cc1 813237386 CDHOLHGOZBRCKQ-BDJLRTHQSA-N 445.324 4.114 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)C1 814429974 ZOTMWFPUNJEVAO-UXHICEINSA-N 445.560 4.413 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)C1 814431634 NDVMOENBDGGTER-HZPDHXFCSA-N 435.496 4.233 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1cccc(Cl)c1[N+](=O)[O-] 814903166 VNTQYMJXCXHUDS-UHFFFAOYSA-N 441.849 4.123 5 20 IIBD COc1cccc(C(=O)N2CCC[C@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)c1[N+](=O)[O-] 817656666 LKRIPBVBGZKBPP-DLBZAZTESA-N 447.532 4.103 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCCc2cc(C(F)(F)F)ccn2)CC1 818282954 NJPQCSSLPYEUSV-UHFFFAOYSA-N 436.434 4.217 5 20 IIBD Cc1csc(Sc2ccc(C(=O)O[C@H](C(=O)N3CCCC3)C(C)C)cc2[N+](=O)[O-])n1 877847369 XBOUWVNRKZSJSV-KRWDZBQOSA-N 449.554 4.315 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(Cc2cccc3cccnc23)CC1 897350998 SOVLQYWHSRPWPP-QGZVFWFLSA-N 444.495 4.072 5 20 IIBD CC[C@@H](C)c1ccc(C(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cc1 904221256 NHPKBCJMJDHKCD-PBHICJAKSA-N 442.443 4.026 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCC([C@@H](O)c2ccccc2)CC1 914862872 UWMMOKPOGCXNDS-SFHVURJKSA-N 425.363 4.472 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(Oc2ccc(F)cc2F)CC1 917133708 SZOLZRVUGXQAME-GFCCVEGCSA-N 439.846 4.397 5 20 IIBD CC(C)N(Cc1ccccc1F)C(=O)c1cc([N+](=O)[O-])ccc1I 918564723 GNLCGFTZUAOQGI-UHFFFAOYSA-N 442.228 4.389 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](C)c1ccc(N2CCCC2=O)cc1 920946182 MDEXHJMFCIMRDU-ZIAGYGMSSA-N 431.876 4.020 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(F)c(NC(=O)OC(C)(C)C)c1 1318428011 VBAYPDFGRHPYCS-UHFFFAOYSA-N 425.438 4.190 5 20 IIBD CCOC(=O)C1=NN(c2ccccc2)[C@@H](c2nc(-c3cc(C)c([N+](=O)[O-])cc3C)no2)C1 1325471708 ZRAMRKKLCATEFP-LJQANCHMSA-N 435.440 4.132 5 20 IIBD Nc1c(C(=O)N(Cc2c(F)cccc2F)C2CC2)cc(Br)cc1[N+](=O)[O-] 1344705981 QORAWZLKJDUMDZ-UHFFFAOYSA-N 426.217 4.023 5 20 IIBD Cc1cc(C)nc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CCC2)c1 1785748932 NWGLYJKWSPSFBG-UHFFFAOYSA-N 434.452 4.261 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3nccs3)cc2)CCC1)c1cc(F)cc([N+](=O)[O-])c1 1787516929 FGVPLWHOXHEBHA-UHFFFAOYSA-N 440.456 4.252 5 20 IIBD O=C(COC1CCCCC1)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1 1790183505 FXUAXNFMPAQPGU-UHFFFAOYSA-N 440.500 4.020 5 20 IIBD C[C@@H]1C[C@]1(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])n[nH]1 1823503982 XAYMXXDTDOUOPX-APDNACMJSA-N 437.500 4.070 5 20 IIBD CC[C@H](C)CC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1823676974 LMPAEKAATZMPDQ-AVRDEDQJSA-N 429.561 4.193 5 20 IIBD COc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCC(C)C)CC2)ccc1[N+](=O)[O-] 1832696656 DELXTPSVOXRWMW-FQEVSTJZSA-N 445.560 4.273 5 20 IIBD Cc1cccc(Cl)c1C(=O)N1CC2(CCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)C1 1841808721 NMZZKJONFYBCHQ-UHFFFAOYSA-N 441.915 4.006 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCc2ccccc2[N+](=O)[O-])cc1 10445126 FDHZDHGUWGLYLP-UHFFFAOYSA-N 440.477 4.167 5 20 IIBD CC(C)OCc1c(C(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])oc2ccccc12 11242418 YSOOVOHEZCWRMT-AWEZNQCLSA-N 426.425 4.450 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1-c1cccs1)Nc1cccc(N2CCCC2=O)c1 11272949 VMAUYNFQBOWQIW-UHFFFAOYSA-N 437.477 4.468 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)COc1ccc(Oc2ccccc2)cc1 12843832 JORQJROAUGKWQX-UHFFFAOYSA-N 436.420 4.256 5 20 IIBD CCc1ccc(-c2csc(NC(=O)CSc3ccc(C(N)=O)cc3[N+](=O)[O-])n2)s1 18705571 OYQWNHJKVMZVRS-UHFFFAOYSA-N 448.551 4.172 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccc4c(c3)OC(F)(F)O4)cc2)c(C)c1[N+](=O)[O-] 19207964 HIEPXGRCZHRBCY-UHFFFAOYSA-N 430.367 4.030 5 20 IIBD CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3OCC)o2)c([N+](=O)[O-])c1 21545471 DTCQWJSSTNXNHB-UHFFFAOYSA-N 444.469 4.173 5 20 IIBD CSc1ccc(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1[N+](=O)[O-] 26103407 WFHYXOGIHFBAKU-UHFFFAOYSA-N 425.510 4.014 5 20 IIBD COc1ccccc1CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1cccs1 28963748 UFDKMPLOMHLGPC-UHFFFAOYSA-N 425.510 4.330 5 20 IIBD Cc1c(Cl)cccc1-n1ccnc1SCC(=O)NCCc1ccc([N+](=O)[O-])cc1 65123995 UIYYCOIDTVPZPR-UHFFFAOYSA-N 430.917 4.193 5 20 IIBD O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 71880014 MKQSBOYGDGZITN-OAHLLOKOSA-N 426.231 4.284 5 20 IIBD COc1cc([C@@H](C)NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)ccc1OCC(C)C 107791824 ULTGXHFRTYOAJY-MRXNPFEDSA-N 438.484 4.315 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(-n2ncc(C(=O)O)c2C(F)(F)F)cc1 237950854 MGQBHBNNYILFOT-UHFFFAOYSA-N 448.357 4.069 5 20 IIBD O=C(Nc1ccccc1)c1ccccc1OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 261455236 QZEMYRCKMZGVGI-UHFFFAOYSA-N 433.420 4.224 5 20 IIBD C[C@@H](Cc1nc2ccccc2s1)Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 301073212 FRLLHEQSDBUFCO-AWEZNQCLSA-N 446.554 4.032 5 20 IIBD CC[C@H]1c2ccsc2CCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 303223184 VMRTZLYBVZZZPF-LBPRGKRZSA-N 431.333 4.117 5 20 IIBD Cc1cccc(C(=O)Nc2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)c1[N+](=O)[O-] 303674655 KQTNJZBDFAZCQR-UHFFFAOYSA-N 431.514 4.109 5 20 IIBD COc1cc(Br)c(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1O 425979476 IQUJNEKPMLPOCP-UHFFFAOYSA-N 435.196 4.380 5 20 IIBD COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 426207518 WLNRRYXINXYWHU-GOSISDBHSA-N 426.300 4.473 5 20 IIBD CC[C@]1(CO)CCCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 426467824 DAIDPHPBJCDYDD-IRLDBZIGSA-N 431.920 4.413 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2cccc(F)c2-c2nc[nH]n2)cc1[N+](=O)[O-])c1ccccn1 428222212 MSPUFRPDFNKRHG-CYBMUJFWSA-N 447.430 4.339 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CSCCN1Cc1ccccc1 429046519 MSFIUZQOOKNYFV-GOSISDBHSA-N 431.583 4.054 5 20 IIBD CCOc1cc(NC(=O)N2CCCC[C@H]2c2nccn2CC)c([N+](=O)[O-])cc1OCC 431573668 CIGDTYXBFSJLAZ-INIZCTEOSA-N 431.493 4.368 5 20 IIBD C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccc(NC(=O)NC2CC2)cc1 431637560 SLIWEMADILWNIL-LLVKDONJSA-N 447.289 4.132 5 20 IIBD CC1(C)CN(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H]1c1ccncc1 431776414 PTKRLAAYONDNEF-KRWDZBQOSA-N 437.422 4.213 5 20 IIBD C[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@@H](OC1CCOCC1)c1ccccc1 437342815 GXHBGKLVWYRMMS-WAIKUNEKSA-N 439.512 4.224 5 20 IIBD Cn1nc(-c2ccccc2)c2c(NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)[nH]nc21 437665470 ZCYJGOKCXQHXSZ-UHFFFAOYSA-N 430.346 4.143 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 438669276 RQMWEOFKZPTJLG-UHFFFAOYSA-N 439.468 4.012 5 20 IIBD CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H]2CCCC[C@H]21 439988329 MVMNJZQWEKJDBO-JLVQQBGISA-N 444.576 4.026 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@@H](c4nc(C(F)(F)F)cs4)C3)o2)cc1 441064586 PWYQXTYVAIJBKM-GFCCVEGCSA-N 439.419 4.500 5 20 IIBD O=C(c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2)N1CC[C@H](O)C1 443245236 QUGAVVNXXAAOAO-LYDJUCFBSA-N 429.476 4.227 5 20 IIBD CN(CCCCCc1cc(-c2ccccc2)no1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 443747500 TWRVMIMXGKFFDQ-UHFFFAOYSA-N 443.525 4.424 5 20 IIBD Cc1c(C[S@@](C)=O)cccc1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444026518 YHQQZXBURHUXAX-WJOKGBTCSA-N 440.471 4.399 5 20 IIBD O=C(Cc1noc(-c2ccn(-c3ccccc3[N+](=O)[O-])n2)n1)Nc1cccc2ccccc12 445330845 CGAOXDYINUVJTI-UHFFFAOYSA-N 440.419 4.165 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(C3(c4ccc(Cl)cc4)CCOCC3)n2)c1 445575255 PARNGLLIMKEMBK-UHFFFAOYSA-N 429.860 4.327 5 20 IIBD COc1cc(Cc2noc(-c3cc(Oc4ccccc4)ccn3)n2)c([N+](=O)[O-])c(OC)c1 445817711 GMJHNWAEYPKTMH-UHFFFAOYSA-N 434.408 4.440 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N1CCC[C@H]1c1cccc(Br)c1 446907067 UINIYKSGMUKCHS-KRWDZBQOSA-N 444.289 4.280 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1CNCc1cnn(-c2ccc(Br)cc2)c1 447071526 ZOSOIUIYUORZJZ-UHFFFAOYSA-N 431.290 4.232 5 20 IIBD COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C2)n1 447149468 WLJDKYLPOQDEFY-CQSZACIVSA-N 438.509 4.329 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCc1cccnc1Oc1cccc(F)c1 447805517 JNURFYWCXZXVHZ-UHFFFAOYSA-N 438.459 4.366 5 20 IIBD COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCCc1ccccc1[N+](=O)[O-] 461268958 VVQCPVXWKVSLOA-UHFFFAOYSA-N 442.475 4.429 5 20 IIBD Cc1cc(N2CCC(OCCN3C[C@H](C)O[C@@H](C)C3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] 461963188 YVEJNCZXJYMYOQ-HOTGVXAUSA-N 445.482 4.017 5 20 IIBD CN(CC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1ccccc1[N+](=O)[O-] 463165485 NQILDUUJGLEOSQ-UHFFFAOYSA-N 444.919 4.386 5 20 IIBD COCCOCc1ccc(C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)cc1 463248703 WQUYMPNVUQMIJH-UHFFFAOYSA-N 427.482 4.442 5 20 IIBD C[C@H](NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])[C@@H](C)N1CCOCC1 467514675 XPTQMCWLYUGMSJ-LSDHHAIUSA-N 449.960 4.238 5 20 IIBD CC[C@H]1CN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[C@H]1c1ccccc1 470004596 SPGYPJVNRWPIKT-DOTOQJQBSA-N 429.904 4.020 5 20 IIBD CCc1ccc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)cc1[N+](=O)[O-] 471345838 JGHCURZFPXKHMR-UHFFFAOYSA-N 436.295 4.062 5 20 IIBD Cn1ccnc1[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccccc1F 475205333 JCTIHFCZKGOZRQ-MRXNPFEDSA-N 437.353 4.397 5 20 IIBD COC(=O)c1cccc(NC2CCN(C(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)CC2)c1 475563804 WHQNDVVKINGABL-UHFFFAOYSA-N 426.473 4.107 5 20 IIBD CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 475944021 BOYHDVDVGBLJMP-QZTJIDSGSA-N 429.542 4.049 5 20 IIBD CCCC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 479441066 RGWMBEHEZUWNOD-UHFFFAOYSA-N 432.285 4.441 5 20 IIBD C[C@@H]1CCCN(Cc2csc(NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)n2)C1 479973848 XOWHPCHMKUJTHV-OAHLLOKOSA-N 429.546 4.480 5 20 IIBD C[C@H](N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 481191544 QQBUSBHNXJVUJM-GQIGUUNPSA-N 430.936 4.075 5 20 IIBD COC[C@H](NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)c1ccc(Cl)cc1 488156359 YDDCBJHWAYFMIQ-FQEVSTJZSA-N 442.903 4.227 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)c1 488448011 YLIDVYAMOJLWCM-UHFFFAOYSA-N 438.918 4.108 5 20 IIBD Cc1nc2ccccc2n1CCNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 492875659 TUEACQGVZPDGCV-UHFFFAOYSA-N 430.464 4.262 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 494420867 WODSDRSQNROPHH-MSOLQXFVSA-N 441.381 4.472 5 20 IIBD COc1cc(CNCc2ccc(Br)c(F)c2)c([N+](=O)[O-])cc1OCC(F)F 494652619 XWZOIAMYCFFJIE-UHFFFAOYSA-N 449.223 4.439 5 20 IIBD COc1cc(Br)cc(NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)c1 498334375 QXKNPYBDLJMNSW-UHFFFAOYSA-N 441.303 4.246 5 20 IIBD Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(Cl)c(C(=O)NCc2ccccc2F)c1 499775019 DEFFYADWVCNEDA-UHFFFAOYSA-N 442.834 4.152 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 500766189 FURJQENGMRFIKY-OAHLLOKOSA-N 436.295 4.070 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@@H](C)c3ccc4c(c3)CC(=O)N4)cc2[N+](=O)[O-])C1 501038928 ZMDOMELCJQDALB-XHSDSOJGSA-N 436.512 4.063 5 20 IIBD CCOc1ccc([C@H](C)NCc2cc(Br)c3c(c2)OCCO3)cc1[N+](=O)[O-] 504912118 QNIGBXNDOOAFML-LBPRGKRZSA-N 437.290 4.378 5 20 IIBD O=C(NC1CCN(Cc2coc(-c3ccccc3)n2)CC1)c1ccc(Cl)cc1[N+](=O)[O-] 506138459 JOBWMGUQBNPLMH-UHFFFAOYSA-N 440.887 4.298 5 20 IIBD COc1cc(CN(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)c([N+](=O)[O-])cc1OC 509378195 IOLBIXDQTAXFBU-APWZRJJASA-N 427.284 4.009 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c([N+](=O)[O-])c1 509666052 NWDIDIPHDQMRAP-UHFFFAOYSA-N 426.454 4.348 5 20 IIBD COc1ccsc1C(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 518500846 ACRWJJGQDGLIGK-UHFFFAOYSA-N 443.550 4.351 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccnn2[C@@H]2CCCc3ccccc32)cc([N+](=O)[O-])c1 519950878 JAVVZRPCCGCRDZ-HXUWFJFHSA-N 434.452 4.146 5 20 IIBD COc1ccc(CNC(=O)NCc2ccc(-c3ccc4c(c3)CCO4)cc2)cc1[N+](=O)[O-] 520280838 NWZWTOAVUCRBRR-UHFFFAOYSA-N 433.464 4.205 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N[C@@H]2C[C@@H]2c2cccc(Br)c2)c([N+](=O)[O-])c1 520755391 MYXULXNJJIYJAQ-NVXWUHKLSA-N 441.285 4.290 5 20 IIBD COC(=O)Cc1ccc(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)cc1 521244013 GNHKWMGUNYBXNB-UHFFFAOYSA-N 443.506 4.479 5 20 IIBD O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)Nc1ccc([N+](=O)[O-])cc1Cl 521568570 HFERRJQVTRBPDZ-SFHVURJKSA-N 439.299 4.097 5 20 IIBD COc1ccc(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1Cc1ccccc1 525856576 SVWPFMRDFQFEJK-UHFFFAOYSA-N 439.855 4.425 5 20 IIBD CCN([C@H](C)c1ccc(-c2cccc(OC)c2)cc1)S(=O)(=O)c1cccnc1[N+](=O)[O-] 531851208 KJRSGHFNCBNTPJ-MRXNPFEDSA-N 441.509 4.437 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 532959154 LUPAONHDRRBKNR-OAHLLOKOSA-N 425.464 4.016 5 20 IIBD O=C(CNC1(c2ccc(F)cc2)CCCC1)Nc1ccc([N+](=O)[O-])cc1Br 533374279 ZRFMHQBQJMYPAK-UHFFFAOYSA-N 436.281 4.494 5 20 IIBD CC(C)OC1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)CC1 533407628 BNTTXLIQZKZQQV-UHFFFAOYSA-N 449.554 4.162 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)c(C(F)(F)F)c1 534207932 XBKVCCYENGPYPW-UHFFFAOYSA-N 437.399 4.400 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)Nc1ccc(C(F)(F)F)nc1)c1ccccc1[N+](=O)[O-] 535613472 PDPHMJKQYTYHIN-CQSZACIVSA-N 440.378 4.213 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C(=O)Nc2ccccc2)c2ccccc2)c1 537300198 VUASLFMFJYHYLO-HSZRJFAPSA-N 433.464 4.168 5 20 IIBD CSc1ccc(-c2csc(NS(=O)(=O)CCc3ccccc3[N+](=O)[O-])n2)cc1 537394999 VITXNNQFPWDCJW-UHFFFAOYSA-N 435.552 4.425 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2c(F)cc(Cl)cc2F)c(Br)c1 538087473 KYNXFGVVYHUAQS-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H](CO)CC(C)(C)C)cc1[N+](=O)[O-] 538849244 SQJDAVKJYBIPNC-OAHLLOKOSA-N 430.526 4.075 5 20 IIBD Cc1cnn([C@@H]2CCCc3ccccc32)c1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] 539597466 NSZRBTABYLBGSW-OAQYLSRUSA-N 440.525 4.010 5 20 IIBD COc1cc([C@@H](C)NCC(=O)Nc2ccccc2[N+](=O)[O-])ccc1OCc1ccccc1 540352728 WTACZSDJAISYBG-QGZVFWFLSA-N 435.480 4.472 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CCC(N2CCCC2=O)CC1 541663618 ZBDNVMIMPBUVIL-UHFFFAOYSA-N 431.558 4.104 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCc2c(cnn2-c2ccccc2)C1 543332938 SRURLKBICZRXIX-UHFFFAOYSA-N 428.901 4.111 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3ccccc3-c3nnnn3C(C)C)cc2[N+](=O)[O-])CC1 544216665 RWFNAKVWXJBDAB-UHFFFAOYSA-N 449.515 4.318 5 20 IIBD COc1ccc(Br)cc1-c1noc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 545635638 RUPSONKJIQVUMN-UHFFFAOYSA-N 429.230 4.488 5 20 IIBD C[S@@](=O)Cc1ccccc1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 545816932 FLTUCFBGSMBZJG-MUUNZHRXSA-N 432.445 4.223 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 549172023 LSWKFPKDEIKTDA-LJQANCHMSA-N 438.509 4.102 5 20 IIBD CCC[C@H](C)C(=O)NCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 552292882 HOCNIDCTTNWYEJ-ZDUSSCGKSA-N 438.322 4.259 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3noc(-c4cccs4)n3)cc2[N+](=O)[O-])C1 553596123 UXIDQTHPZVIVHW-OKILXGFUSA-N 441.513 4.119 5 20 IIBD Cc1cc(CN[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)nc(C)n1 556292311 JVFFNUQAZSFXGB-HXUWFJFHSA-N 425.876 4.125 5 20 IIBD CCS(=O)(=O)c1ccc([C@H](C)NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 556407512 FOQOMMDSULASLE-AWEZNQCLSA-N 431.539 4.363 5 20 IIBD Cn1ccnc1[C@H](NCCc1cccc(OCC(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 556877219 GKNJXGNYRZISTF-LJQANCHMSA-N 434.418 4.191 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 557187557 HROHAVACBZNNMI-KRWDZBQOSA-N 429.192 4.346 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc([C@@]34CCC[C@@H]3CN(Cc3ccccc3)C4)n2)c1 563750942 OIIJZVLHZAUEBN-NTKDMRAZSA-N 434.496 4.131 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)F)cc1Sc1nnc(NCCc2ccccc2)s1 578421064 NPDILHMNWWJZHR-UHFFFAOYSA-N 427.433 4.666 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNCc1cc(Br)cc(Br)c1 588925223 FAVNYQNTQNWFAD-UHFFFAOYSA-N 430.096 4.418 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 589006467 LUSHOOSZFQBBEH-KRWDZBQOSA-N 425.363 4.407 5 20 IIBD COc1cc(OC)c(C2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC2)c(OC)c1 603785138 VBQSMOOOCHNPTN-UHFFFAOYSA-N 440.452 4.387 5 20 IIBD O=C(c1cccc(C(F)(F)F)c1)N1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 603862356 VDMHYBYESWYZKT-UHFFFAOYSA-N 430.386 4.124 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H](O)COc3ccc(C(F)(F)F)cc3)o2)cc1 608836749 KCRZDQCLGUUPIH-QGZVFWFLSA-N 436.386 4.403 5 20 IIBD CC(C)(C)C[C@@H](NC(=O)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(F)cc1 609053568 FPHGSZRUTCGUML-LJQANCHMSA-N 425.464 4.286 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 609198100 PBNASZCTSXYTOI-CYBMUJFWSA-N 435.502 4.346 5 20 IIBD CN(C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])[C@H]1CCCN(c2ccccc2)C1 609647208 AOVCDCOTWJOSOF-INIZCTEOSA-N 437.418 4.277 5 20 IIBD C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC/C=C\c2ccc(Br)cc2)C1=O 609749872 FLDVBHBATIJEGS-POIDEFEESA-N 444.285 4.228 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(OCc2cccc(F)c2)c1 609847447 KQJDWASAELBPBE-LJQANCHMSA-N 441.463 4.184 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cn(-c2cccc(C(F)(F)F)c2)nn1 610040330 MOBKVLMCGCVMJO-UHFFFAOYSA-N 443.288 4.048 5 20 IIBD Cc1ccc(NCCCNc2ncc(C(=O)N3CCCCC3)cc2Cl)c([N+](=O)[O-])c1 610077368 VDMZZRORBKSBCK-UHFFFAOYSA-N 431.924 4.492 5 20 IIBD COc1cccc([C@H](C)N2CCN(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)CC2)c1 610105603 OOIQYTIYWSWQCD-IBGZPJMESA-N 440.544 4.015 5 20 IIBD COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1 610922109 GVQNELTUDGOIPK-UHFFFAOYSA-N 438.484 4.301 5 20 IIBD Cn1ccnc1[C@H](NC[C@H]1CCN(c2ccc(Cl)cc2)C1)c1cccc([N+](=O)[O-])c1 611560439 GTSGOBKIBCNWOE-IIBYNOLFSA-N 425.920 4.187 5 20 IIBD CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])CC1 618188482 CXSDPLMQKGXMNQ-HXUWFJFHSA-N 440.496 4.193 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 619507450 WHYMXQABIOAFEQ-UHFFFAOYSA-N 426.450 4.006 5 20 IIBD COc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 725818025 DIKPLWDYFYOERO-UHFFFAOYSA-N 447.852 4.256 5 20 IIBD CC(C)(C)c1nc(C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cs1 726685646 BYENIXIJGFHDSV-UHFFFAOYSA-N 431.392 4.163 5 20 IIBD O=C(c1ccc(I)c([N+](=O)[O-])c1)N1CCCc2cc(F)cc(F)c21 727749133 YGYPRNMFYVGAOK-UHFFFAOYSA-N 444.175 4.071 5 20 IIBD O=C(Nc1n[nH]c(-c2ccccc2Cl)n1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 728149670 PKLYYOLMOOHBQS-UHFFFAOYSA-N 426.864 4.276 5 20 IIBD O=C(OCc1c(F)cccc1[N+](=O)[O-])c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 728988047 LIRMOZSZNAXHCS-UHFFFAOYSA-N 448.403 4.031 5 20 IIBD CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2csc(C(C)(C)C)n2)NC(=S)N1C 731425370 FMMSUTWBCUWCGE-INIZCTEOSA-N 445.570 4.123 5 20 IIBD O=C(OCC(=O)N(CCc1ccccc1)Cc1ccccc1)c1ccc([N+](=O)[O-])c(F)c1 731517398 AGAASAJAIPITMO-UHFFFAOYSA-N 436.439 4.162 5 20 IIBD Cc1nc(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])sc1Cc1cccc(Cl)c1 731612023 QSKZGXROWSGHNO-UHFFFAOYSA-N 445.884 4.434 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@H](c1ccc(Cl)cc1)C1CCCC1 731632827 UIMSVUQEJNFMBY-QFIPXVFZSA-N 446.887 4.496 5 20 IIBD O=C(Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)c1cc(F)c(F)cc1[N+](=O)[O-] 732647522 VVSSDHBBPKTTET-UHFFFAOYSA-N 438.452 4.373 5 20 IIBD Cc1sc(=O)n(CC(=O)OCc2cc([N+](=O)[O-])ccc2Cl)c1-c1ccc(F)cc1 734779337 FTSSZLKDSWJOPT-UHFFFAOYSA-N 436.848 4.329 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(CSc2nnc(N3CCOCC3)n2Cc2ccccc2)c1 735415214 ZJQWWZOWIZMVCG-UHFFFAOYSA-N 445.932 4.017 5 20 IIBD COc1ccccc1[C@@H](C)CC(=O)OC1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 739382549 ZCXTWWNNPPQKPS-INIZCTEOSA-N 428.485 4.318 5 20 IIBD C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1cccc2ncccc12 745567556 CFOACEFKNGVYAH-NSHDSACASA-N 433.342 4.346 5 20 IIBD COc1cccc([C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)c2cc(F)ccc2OC)c1 746532692 LQQVZZYQSPKBGW-OAQYLSRUSA-N 428.391 4.410 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccccc2OCC(F)(F)F)c(C(F)(F)F)c1 746659377 ZYTOJGXFTSHYCU-UHFFFAOYSA-N 445.293 4.322 5 20 IIBD COc1ccc(NC(=O)COC(=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 747021959 XEDHIADQYFAARX-JTQLQIEISA-N 427.240 4.196 5 20 IIBD O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN(CCc1ccccc1F)C1CCCC1 747076072 KSTDZDZBFLNVJY-UHFFFAOYSA-N 436.487 4.402 5 20 IIBD COc1ccc(C(=O)[C@H](C)OC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1OC 747956469 SYLWRHWPWAJIOI-LBPRGKRZSA-N 442.449 4.164 5 20 IIBD Cc1c(C(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748700153 IDUZGOZKXMADQF-UHFFFAOYSA-N 440.500 4.201 5 20 IIBD O=C(CN(Cc1ccccc1F)C[C@@H](O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1F 750091402 KIMHCDFJQBNCEG-JOCHJYFZSA-N 441.434 4.047 5 20 IIBD Cn1c([C@H]2CCCCN2S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])nc2ccccc21 751271971 KVWZELHQXGROGQ-QGZVFWFLSA-N 434.905 4.051 5 20 IIBD COC(=O)c1sc2cccc(F)c2c1COC(=O)c1c(F)ccc([N+](=O)[O-])c1F 752562245 MDXCPMOJFZBTPI-UHFFFAOYSA-N 425.340 4.370 5 20 IIBD CC(C)C1CCC(N2CCN([C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CC2)CC1 753426428 XEMPRVZFJDWETL-AOCRQIFASA-N 436.984 4.408 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCCCNc1ncnc2ccccc12 754741771 UVRZHOVRKTZCER-UHFFFAOYSA-N 438.487 4.143 5 20 IIBD CC[C@@](C)(CCCNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C1OCCO1 755036443 WHPDGFSYEXMZFP-KRWDZBQOSA-N 430.299 4.048 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)OCc1ncc(-c2ccc(Br)cc2)o1 755675448 UJUNLTIMAFWFGD-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD COc1ccc(-c2nc(CC(=O)NCc3cc([N+](=O)[O-])ccc3Cl)cs2)cc1OC 756990115 GSFIERWFIRJIPE-UHFFFAOYSA-N 447.900 4.248 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)Nc1ccc(CCC(=O)N2CCCC2)cc1 757207935 PJYUUWQWHOZAFC-UHFFFAOYSA-N 430.892 4.125 5 20 IIBD O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1cccc([N+](=O)[O-])c1Br 758308068 OAKKJLRNSITSFE-UHFFFAOYSA-N 442.273 4.204 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)c1cccc(Cl)c1 758522962 NGLJPDSPOONFHA-CYBMUJFWSA-N 441.665 4.045 5 20 IIBD C[C@@H](C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(C(=O)c2ccccc2)c1 761490082 LQSQOPXGRCTTBC-MRXNPFEDSA-N 432.432 4.111 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@H](c2nc(-c3ccc(OC4CCOCC4)cc3)no2)C1 762078813 KODRXGIHKXHTAN-FQEVSTJZSA-N 436.424 4.068 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1cc(Cl)c(N)c(Cl)c1)c1ccccc1[N+](=O)[O-] 763474592 ZEPSIAGCGYTKIS-OAHLLOKOSA-N 440.283 4.297 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc(OCc2nccn2C)cc1 763807973 XXILHYCIPXJDFQ-UHFFFAOYSA-N 427.482 4.376 5 20 IIBD C[C@@H](OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1nc2ccc(Cl)cc2n1C 764279468 PJGPAEFXKWYPFT-GFCCVEGCSA-N 425.832 4.239 5 20 IIBD COc1ccc([C@H](C)OC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1Cl 764618287 OXXXPSCYFKUPMD-SMDDNHRTSA-N 438.889 4.227 5 20 IIBD Cc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3[N+](=O)[O-])NC2=S)cc1C 767717823 OMXKKCBBLSBQEF-OVCLIPMQSA-N 432.299 4.236 5 20 IIBD CC(=O)c1ccc(N2CCN(Cc3ccc(Br)c([N+](=O)[O-])c3)CC2)c(F)c1 768217865 IHDMNIITXNZJSL-UHFFFAOYSA-N 436.281 4.021 5 20 IIBD CC[C@H](OC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1cc(C)ccc1OC 772490953 AQFPMEBXNUUCGH-SFHVURJKSA-N 428.441 4.294 5 20 IIBD COc1ccccc1-c1csc([C@H]2CCCN(Cn3nc(C)c([N+](=O)[O-])c3C)C2)n1 773344902 PLMSXTMJRWIZJT-INIZCTEOSA-N 427.530 4.377 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(NCc3c(Br)cccc3[N+](=O)[O-])cc2)C[C@H](C)O1 775182152 CADJUNKSQBPHNV-KBPBESRZSA-N 448.317 4.219 5 20 IIBD COc1cc(COC(=O)c2cc(C)n([C@@H](C)C3CC3)n2)c([N+](=O)[O-])cc1OC(F)F 777182359 DTUAGASBEOIMKQ-NSHDSACASA-N 425.388 4.038 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 778741171 JWXFMIVXFMPEJS-GFCCVEGCSA-N 443.441 4.009 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@H](c2nc(-c3cccc(OCc4cccnc4)c3)no2)C1 781612876 BNOHLKOGYVUAOW-NRFANRHFSA-N 443.419 4.485 5 20 IIBD O=C(Nc1cc(F)ccc1SCC(F)F)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781679631 JAGRXQUPMNYJSD-OAHLLOKOSA-N 425.388 4.223 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])O[C@@H](c1cccc(F)c1)c1ccccn1 781799579 KUDFBWFUSHERQQ-NRFANRHFSA-N 425.372 4.303 5 20 IIBD COc1ccc(Cl)cc1-c1cc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n[nH]1 782114768 OSRZYOZVXNTGFH-UHFFFAOYSA-N 445.819 4.126 5 20 IIBD CC(C)(C)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2Br)n(-c2ccccn2)n1 782123449 MXMADGDLSZECOK-UHFFFAOYSA-N 444.289 4.488 5 20 IIBD O=C(N[C@H](C(=O)OCc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1)OCc1ccccc1 783744296 MNBBXXQSJFQNII-NRFANRHFSA-N 438.411 4.445 5 20 IIBD CCCc1c(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cnn1-c1cc(F)c(OC)cc1F 783756360 OJRHCGFUVGLHLW-UHFFFAOYSA-N 434.374 4.411 5 20 IIBD O=C(OCc1nc(Cc2cccc(F)c2)no1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 784306285 UHRAMUZRRAXBCQ-UHFFFAOYSA-N 425.294 4.084 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(Oc2cccc(F)c2F)nc1 785411480 PWBXAHTYAVWLIJ-UHFFFAOYSA-N 425.351 4.049 5 20 IIBD O=C(NC[C@H]1CCCN(c2ccccc2)C1)c1cc(F)cc([N+](=O)[O-])c1Br 790230044 QIUJQZUMPUMXAY-CYBMUJFWSA-N 436.281 4.143 5 20 IIBD COc1cccc(CN(C[C@H]2CCCO2)C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c1 790873914 PGJSMSXMSWZNKJ-QGZVFWFLSA-N 436.867 4.146 5 20 IIBD CCOCCOc1ccc(Br)cc1NC(=O)c1cc([N+](=O)[O-])cc(C)c1F 790928528 XXAQHSCKWZFKEJ-UHFFFAOYSA-N 441.253 4.472 5 20 IIBD CN(C)c1cc(F)c(C(=O)Nc2nnc(SCc3cccs3)s2)cc1[N+](=O)[O-] 791210018 RDKFHNHFITXJMI-UHFFFAOYSA-N 439.519 4.258 5 20 IIBD O=C(Cc1cc(-c2ccccc2)on1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791243117 BYFNMPIQYSNVHH-UHFFFAOYSA-N 442.269 4.140 5 20 IIBD COCCCOC1(COC(=O)c2cc([N+](=O)[O-])c(Br)cc2F)CCCC1 791408097 UZQBNDJNIICYJB-UHFFFAOYSA-N 434.258 4.019 5 20 IIBD CCC[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H](O)c1ccccc1 792195889 SLWCLURACPYAPN-ZWKOTPCHSA-N 425.407 4.315 5 20 IIBD O=[N+]([O-])c1ccc(Br)c2c1CN(Cc1ccc(Cl)cc1-n1cncn1)CC2 792915204 SDBNRJVQEZFMAV-UHFFFAOYSA-N 448.708 4.150 5 20 IIBD CO[C@@H]1CCC[C@@H](CC(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 796066229 PASVOEAUDYDYDG-CKEIUWERSA-N 447.513 4.184 5 20 IIBD O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccccc1Oc1ccncc1 802064928 GJRCORPFXAYJGG-UHFFFAOYSA-N 434.452 4.251 5 20 IIBD O=C(OCc1nc2ccc(Br)cc2o1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 803091716 IXLNPVXWGVFASP-UHFFFAOYSA-N 444.197 4.109 5 20 IIBD COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 807310269 DDXFVHMFFCPCPJ-GUYCJALGSA-N 431.876 4.195 5 20 IIBD CCOc1ccc(C(=O)OCC(=O)c2ccc(C(F)(F)F)nc2Cl)cc1[N+](=O)[O-] 811058947 JHYNVHFDSBWFTK-UHFFFAOYSA-N 432.738 4.100 5 20 IIBD C[C@@H](CC(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)NC(=O)C1CCCCC1 811217973 JRKLOHABAGVBLU-AWEZNQCLSA-N 431.514 4.237 5 20 IIBD CC(C)(O)c1cnc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)s1 811618388 VCSGNBKOULULDK-UHFFFAOYSA-N 442.284 4.024 5 20 IIBD CS(=O)(=O)N(Cc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(Cl)cc1F 814264999 KKWLNOAFXBTADN-UHFFFAOYSA-N 437.674 4.116 5 20 IIBD Cc1c(CC(=O)N2CCC[C@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cccc1[N+](=O)[O-] 814428732 NCNVLTMXVYWCOA-VQTJNVASSA-N 445.560 4.331 5 20 IIBD CCc1sc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1Br 815334633 CZUDLJNYGVVRMD-VIFPVBQESA-N 427.276 4.165 5 20 IIBD Cn1cnc(-c2ccc(Br)cc2)c1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 818349698 PEKRUQLANKAJAM-NYYWCZLTSA-N 427.258 4.410 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2 818880998 FRRPMYUBGJQFKK-MDWZMJQESA-N 427.460 4.379 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C(=O)N[C@H](C)c1cccc2ccccc12 854158470 XFNKKQYRRIFRFN-CVEARBPZSA-N 435.480 4.237 5 20 IIBD CCN(C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1F 914476236 ZHKMOKGNIORXHI-UHFFFAOYSA-N 444.440 4.168 5 20 IIBD Cc1c(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1Cc1ccccc1 915534707 MIQUFYCYAIYYBQ-OAHLLOKOSA-N 433.424 4.116 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NCc2ccc(Oc3ccc(F)cc3)nc2)c1[N+](=O)[O-] 917081921 CGGYSYJEWBPOPC-UHFFFAOYSA-N 428.376 4.242 5 20 IIBD COc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC(F)F 919214832 KRYDOZYUVYOZQV-SECBINFHSA-N 444.774 4.042 5 20 IIBD CCN(C(=O)c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1)[C@H](C)C(C)C 921295177 SAJXUKFXOUTCFD-MRXNPFEDSA-N 434.514 4.178 5 20 IIBD CS(=O)(=O)Cc1ccccc1CNCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 1116488281 QLOTXNXVDMBJFS-UHFFFAOYSA-N 434.901 4.343 5 20 IIBD CCc1c(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2N)cnn1-c1cccc(C)c1 1321308025 XEYAXWLRCBTQOE-UHFFFAOYSA-N 444.289 4.248 5 20 IIBD Nc1c(C(=O)N2CCCc3cc(OC(F)F)ccc32)cc(Br)cc1[N+](=O)[O-] 1321438086 AYXIXEYXUIUBFO-UHFFFAOYSA-N 442.216 4.134 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC(Nc2ccccc2Cl)CC1 1338496156 WUHNQABLBAEPRN-UHFFFAOYSA-N 425.876 4.151 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC1(c2ccc(NC(=O)C(C)(C)C)cc2)CCC1 1787703807 BALZBQUKQOXDPY-UHFFFAOYSA-N 438.528 4.455 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1)c1cnc2ccoc2c1 1788480481 XSHPPCPYCSLMKM-UHFFFAOYSA-N 446.419 4.391 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@H]3CC3(F)F)cc2)CCC1)c1ccc([N+](=O)[O-])cc1F 1789136795 NDTHAOWSCAVSIM-MRXNPFEDSA-N 433.386 4.137 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CC(F)(F)C1)c1cc2cc([N+](=O)[O-])ccc2s1 1792678792 PPDGPKKUWJQPGK-QDMKHBRRSA-N 449.479 4.107 5 20 IIBD Cc1ccc([C@H](C)C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C3)cc1 1801775191 YLVGIXKZQJIUDT-IITNATTFSA-N 449.551 4.278 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CC=CCC2)[nH]n1)c1ccc([N+](=O)[O-])cc1F 1821049009 BNKJWWMUHPPJCI-AUUYWEPGSA-N 441.463 4.119 5 20 IIBD CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)CCCCC1 1829835913 LBBAEQKVUHFZJZ-IBGZPJMESA-N 430.549 4.127 5 20 IIBD CC(C)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830622744 MRBQTVMARODCIR-HXUWFJFHSA-N 433.524 4.403 5 20 IIBD C[C@H](Sc1ncn(-c2ccccc2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 11941183 VYSKDWFDEZALGV-NSHDSACASA-N 437.403 4.314 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CN(C)c1ccc([N+](=O)[O-])c2cnccc12 15171582 SKBXANQLMYHZIW-UHFFFAOYSA-N 429.274 4.289 5 20 IIBD O=C(NCCC1=CCCCC1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 21003178 UZEKUIDTOUUWPN-UHFFFAOYSA-N 429.498 4.016 5 20 IIBD COCc1c(C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])oc2ccccc12 22188058 KECIZQRYRZIWSD-GOSISDBHSA-N 440.452 4.300 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 23124490 KJYBGXFTNNKMQU-UHFFFAOYSA-N 445.522 4.236 5 20 IIBD O=C(COC(=O)c1ccc(COc2ccc(F)cc2)o1)Nc1ccc(Cl)c([N+](=O)[O-])c1 24284083 ATRAPWTZGQUZTO-UHFFFAOYSA-N 448.790 4.355 5 20 IIBD COc1cc(CN(C)CC(=O)Nc2ccccc2[N+](=O)[O-])ccc1OCc1ccccc1 24731712 DHXDCZJSJQRXOF-UHFFFAOYSA-N 435.480 4.253 5 20 IIBD O=C(CCSc1nnc(NCCc2cccs2)s1)Nc1ccc([N+](=O)[O-])cc1 26419578 OQNFIYJHVSGDCA-UHFFFAOYSA-N 435.556 4.283 5 20 IIBD O=C(CN1CCc2sccc2[C@H]1c1cccs1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 29195258 LEZJDORNWIVADW-FQEVSTJZSA-N 443.506 4.033 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1cc2ccccc2o1 61999963 JCJNDGLLFLSQJS-QFIPXVFZSA-N 445.431 4.194 5 20 IIBD COc1ccc(C(C)(C)CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 63624786 WYAQXEIGTAKAGP-UHFFFAOYSA-N 426.391 4.252 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2cccc(-c3nccs3)c2)ccc1[N+](=O)[O-] 110322782 SNBQLBHRDMKSNE-IBGZPJMESA-N 436.493 4.270 5 20 IIBD CN(C)CCN1CCC(NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 237167195 ILDMBXWKKRDPMA-UHFFFAOYSA-N 432.952 4.156 5 20 IIBD CS(=O)(=O)c1cccc(Oc2ncccc2CNc2ccc([N+](=O)[O-])cc2Cl)c1 301412956 KWNVACPBNJHXMO-UHFFFAOYSA-N 433.873 4.451 5 20 IIBD CCn1c(SCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)nnc1-c1cccc(Cl)c1 302984510 UVLMODKAZUSMGN-UHFFFAOYSA-N 431.905 4.282 5 20 IIBD CCCc1[nH]nc(C(=O)N[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)c1[N+](=O)[O-] 303358197 INWPAQAEORNWFH-AWEZNQCLSA-N 429.477 4.340 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1nnc(Cc2cccc(F)c2)s1 410010862 KPMINAKOQCCXCT-SNVBAGLBSA-N 436.852 4.236 5 20 IIBD CN(CCCOc1ccc(F)cc1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 426262166 VVQHPYDVMNHHGW-UHFFFAOYSA-N 429.370 4.363 5 20 IIBD Cc1ccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1N1CCNC1=O 427984883 ONIGDKNACOSWLL-UHFFFAOYSA-N 448.429 4.050 5 20 IIBD C[C@@H]1Oc2ccc(C(=O)C3CCN(c4c(Cl)cccc4[N+](=O)[O-])CC3)cc2NC1=O 432322123 KATXLBBCKZPKLX-LBPRGKRZSA-N 429.860 4.067 5 20 IIBD Cn1cc(-c2ccc(NCc3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)nn2)cn1 432738396 JPAWCZXAJCTBGX-UHFFFAOYSA-N 436.859 4.843 5 20 IIBD CCOc1cc(-c2noc(CCNc3ccccc3[N+](=O)[O-])n2)cc(Br)c1O 436765346 AIGAUEOZOMTVTG-UHFFFAOYSA-N 449.261 4.166 5 20 IIBD O=C(CSc1nncn1-c1cccc(Cl)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437110549 AARKZYNKWJZXFU-UHFFFAOYSA-N 443.916 4.112 5 20 IIBD CC(C)CNC(=O)c1ccccc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 438798083 WKTLZRCBSQCPIZ-UHFFFAOYSA-N 446.312 4.088 5 20 IIBD COc1cc(F)c(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1OC 439238755 XTGAQGHVDBLGDJ-UHFFFAOYSA-N 446.456 4.147 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N[C@H]2CCSc3ccccc32)cc1[N+](=O)[O-] 439243322 DJUKPXNTWDOJKI-AWEZNQCLSA-N 443.344 4.181 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](c1ccc(C(F)(F)F)cc1)C(C)C 439446741 ZXCMNGRDFYFBIQ-QGZVFWFLSA-N 439.390 4.074 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N(Cc1c(F)cccc1F)C1CCCC1 439619338 RNVSVCVVPOWLSX-UHFFFAOYSA-N 437.830 4.436 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cn2cc(Br)cc(C)c2n1 439909134 OMXKGUKCVOJPEZ-UHFFFAOYSA-N 448.277 4.034 5 20 IIBD CC[C@@]1(CO)CCCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 440033110 WUJPQVCPCMAPPA-NRFANRHFSA-N 434.876 4.426 5 20 IIBD CC(C)(C)Oc1ccc(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cn1 444309780 OZUQSWGVMSNEKG-UHFFFAOYSA-N 437.446 4.462 5 20 IIBD COc1ccc(C2(NCCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCOCC2)cc1F 444803389 GCPLTTVYOGACLF-UHFFFAOYSA-N 441.459 4.236 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 446490148 ISRBPWNBZYHISR-UHFFFAOYSA-N 447.333 4.452 5 20 IIBD COc1cc(OC)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1Cl 446986496 HSRXVSLKLCWDTB-UHFFFAOYSA-N 440.783 4.085 5 20 IIBD C[C@H]1C[C@H](c2ccc(F)cc2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 447023499 NHQHTOKJXUTVGE-AAEUAGOBSA-N 443.294 4.063 5 20 IIBD COc1cc(C(=O)N2C[C@H](c3ccccc3C)OC[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F 460405007 XWKXYJVVZLQEKW-ORAYPTAESA-N 436.411 4.115 5 20 IIBD C[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)Oc1ccc(Br)cc1 462953008 LTMRUHJVOMJVOH-CQSZACIVSA-N 448.317 4.473 5 20 IIBD CS(=O)(=O)c1cccc([C@@H](Nc2nc3sccn3c2[N+](=O)[O-])c2ccc(F)cc2)c1 463077206 NAKQXTZNEMNPOU-INIZCTEOSA-N 446.485 4.048 5 20 IIBD COc1ccc(N([C@@H](C)C2CC2)S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 464421850 OIMHKEGMEQJXMI-AWEZNQCLSA-N 427.482 4.145 5 20 IIBD COc1ccc(SCCC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1OC 464665800 UHOBONGJQAVVPB-UHFFFAOYSA-N 446.525 4.164 5 20 IIBD Cc1ccccc1CN1CCC(NC(=O)COc2ccc([N+](=O)[O-])c3ccccc23)CC1 464803615 ZVOZPWFESUUMDW-UHFFFAOYSA-N 433.508 4.216 5 20 IIBD Cc1c(F)ccc2sc(NS(=O)(=O)c3ccc(Br)cc3[N+](=O)[O-])nc12 464912438 OABJXIHGGNRITN-UHFFFAOYSA-N 446.279 4.215 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2nc(-c3cccc(F)c3)no2)cc1SC 464935097 WQSIXGKVTAYRBV-JTQLQIEISA-N 432.433 4.005 5 20 IIBD Cn1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)cc1OC(F)F 466438885 OUEAQCMQBUUTGP-UHFFFAOYSA-N 426.426 4.395 5 20 IIBD COc1ccccc1-c1ccc([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1 469141135 KKJKRFKCCDZOLC-HNNXBMFYSA-N 442.493 4.319 5 20 IIBD O=C(Nc1ccccc1Oc1cc(F)cc(F)c1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 469217279 VGSDQEXRIRFKHT-UHFFFAOYSA-N 437.362 4.498 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@H](CCO)c3ccco3)c([N+](=O)[O-])c2)c(C)c1 469550872 ZYGNMFSDKASITE-LJQANCHMSA-N 445.497 4.141 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CCN(C)c4ccc(Cl)cc43)cc2)c(C)c1[N+](=O)[O-] 471494729 BNSDNUOVSKQANU-UHFFFAOYSA-N 439.903 4.206 5 20 IIBD CCc1cnc(CN(C)C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)s1 474482390 ZHKHHPMYWABHRW-UHFFFAOYSA-N 440.312 4.378 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)cc1SC 480998842 JPWNNWBENDTTIA-LLVKDONJSA-N 439.896 4.127 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@H]2CCCc3c[nH]nc32)c([N+](=O)[O-])c1 481833854 VRLYQPLNENCAPV-IBGZPJMESA-N 441.513 4.023 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)cc1SC 481901655 QNWZFTWUQXIDHN-FQEVSTJZSA-N 432.498 4.224 5 20 IIBD Cc1cc(-c2noc([C@@H](C)N[C@H](C)CC(=O)Nc3ccc([N+](=O)[O-])cc3)n2)ccc1F 483658233 JJCAKIRAKDUOSV-ZIAGYGMSSA-N 427.436 4.160 5 20 IIBD COC(=O)[C@H](C)N(C(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1C 484819617 JXPVGZGXQCOXTL-AWEZNQCLSA-N 449.301 4.193 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(F)ccc2OCC2CC2)ccc1[N+](=O)[O-] 486847189 QFIDVOCOSBFVFZ-FQEVSTJZSA-N 441.459 4.074 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 488437685 WLFDBUVBKZDHMC-UHFFFAOYSA-N 445.309 4.145 5 20 IIBD Cc1cccc([C@@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 488920683 YXKHFAQVISWLKK-HNNXBMFYSA-N 425.304 4.192 5 20 IIBD CCn1c(SCC(=O)N(Cc2ccc(C)o2)C2CC2)nnc1-c1ccc([N+](=O)[O-])cc1 489449154 STYGUCDVQDHLMB-UHFFFAOYSA-N 441.513 4.058 5 20 IIBD Cc1ccc(S(=O)(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)cc1[N+](=O)[O-] 490035904 DLGOCVNLCBPGQN-ACJLOTCBSA-N 444.431 4.073 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C 490132848 MFLCAESJPFSFOK-GUYCJALGSA-N 444.431 4.073 5 20 IIBD CC(C)NC(=O)c1ccc(NC[C@@H](CO)Cc2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 493889289 UBMHMSOAIFKJCT-AWEZNQCLSA-N 439.434 4.015 5 20 IIBD C[C@@H]1CCCN(CCCCNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 494275975 DSCSTBWRGPPGPU-LJQANCHMSA-N 425.529 4.416 5 20 IIBD CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)cc1 496511238 BDXNQAGZEHRGKZ-XMMPIXPASA-N 435.528 4.394 5 20 IIBD O=C(CCOc1ccc(Cl)cc1Br)NCCNc1ccc([N+](=O)[O-])cc1 496833468 VDRGBYFNXSQCLQ-UHFFFAOYSA-N 442.697 4.008 5 20 IIBD Cn1ccnc1Sc1ccc(Cl)cc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 499114831 YRAKHILMBOMADW-UHFFFAOYSA-N 428.861 4.262 5 20 IIBD COc1ccc(CC[C@@H](C)NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 499221480 AWHYSRQLCRGPHT-CYBMUJFWSA-N 426.391 4.296 5 20 IIBD Cc1cnc(O)n1-c1ccc([C@@H](C)NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 502367544 PNWBWSRYGQQSKP-GFCCVEGCSA-N 447.398 4.279 5 20 IIBD C[C@H]1CCCCN1C[C@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 505929684 GKUGHYXNTPBSSN-LEWJYISDSA-N 431.580 4.268 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1cc(Cl)ccc1OCC1CCC1 506717796 JNMBRWQKRKEMQX-UHFFFAOYSA-N 445.903 4.067 5 20 IIBD CCN(CC)c1nc2sc(C(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)cc2s1 507365979 AUCXRFYBMXSSFR-UHFFFAOYSA-N 445.570 4.075 5 20 IIBD COc1cc(CNCCn2cnc3ccccc32)ccc1OCc1ccc([N+](=O)[O-])cc1 507929781 JDRISHNYEVLRHJ-UHFFFAOYSA-N 432.480 4.322 5 20 IIBD COC1(c2noc(CCn3nc(C)c([N+](=O)[O-])c3C)n2)CCC(c2ccccc2)CC1 508634975 HDOGHMRBIFFDSL-UHFFFAOYSA-N 425.489 4.233 5 20 IIBD Cc1cc(Sc2ncccn2)ccc1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 509558339 NUKYEGRKVHXNDV-UHFFFAOYSA-N 436.902 4.299 5 20 IIBD COc1cc(C(=O)N[C@H](C)CCc2ccccc2)c([N+](=O)[O-])cc1OCc1cscn1 509895753 SDQOIGFIMWDQCA-OAHLLOKOSA-N 441.509 4.390 5 20 IIBD Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)C2)cc1 510059628 YJQHMJOAZQUYFM-OAHLLOKOSA-N 429.452 4.108 5 20 IIBD COc1c(C)ccc(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)c1C 510479234 ZHEXQJJPDZVNET-UHFFFAOYSA-N 440.237 4.386 5 20 IIBD O=C(Nc1cccc(Br)c1)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 510614299 IYAOHUUQWKHMQO-UHFFFAOYSA-N 447.289 4.240 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])CC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 511138266 NNUHXGBZTDENOJ-JOCHJYFZSA-N 427.501 4.176 5 20 IIBD CNC(=O)c1ccc(NCc2cn(Cc3ccccc3)nc2-c2ccccc2)c([N+](=O)[O-])c1 512692630 CTQQTSNSQCAGLM-UHFFFAOYSA-N 441.491 4.478 5 20 IIBD COc1ccccc1CC(=O)N1CCC(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 514223648 ZIHHKPSVWLJTPZ-UHFFFAOYSA-N 437.418 4.268 5 20 IIBD COc1ccc(-c2nnc(SCCc3ccc([N+](=O)[O-])cc3)n2C[C@H]2CCCO2)cc1 515288019 HGQMAUNCLODQGV-HXUWFJFHSA-N 440.525 4.376 5 20 IIBD O=C1[C@H](Sc2nnc(COc3ccc(Cl)cc3)o2)CCN1c1cccc([N+](=O)[O-])c1 517557802 QCAIHOGZPUYIKM-MRXNPFEDSA-N 446.872 4.108 5 20 IIBD O=C(COc1ccc(-c2ccccc2)cc1[N+](=O)[O-])NC[C@@H]1CCN(c2ccccc2)C1 517912369 DBYCWUWBKRVROG-IBGZPJMESA-N 431.492 4.283 5 20 IIBD CNC(=O)COc1cccc(CN[C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)c1 518581760 OPUAGOKNEUWVAH-HNNXBMFYSA-N 425.510 4.299 5 20 IIBD CC(C)N(Cc1cc(Br)ccc1F)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 519891479 BOHQMAVPHQOBPH-UHFFFAOYSA-N 449.273 4.235 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(-c2nc(C3CCCC3)no2)cc1 521027902 IWCXFDYRMJITJD-UHFFFAOYSA-N 444.469 4.112 5 20 IIBD COC(=O)c1cc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)cc([N+](=O)[O-])c1 524047399 SNVPBGFMEYYSAE-UHFFFAOYSA-N 433.779 4.390 5 20 IIBD Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 524209706 LXSXWYGUHDQYOS-UHFFFAOYSA-N 434.452 4.082 5 20 IIBD COc1ccc([C@H](C)CCNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 525595039 VDJJQXGJXHHZIP-CYBMUJFWSA-N 426.391 4.468 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)cc1 525837575 AZILMZAFMVHZCT-HKUYNNGSSA-N 442.459 4.313 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N2CCC(Oc3ccc(C)c(C)c3)CC2)c([N+](=O)[O-])c1 532930200 JUMXMKNFVYCZJI-KRWDZBQOSA-N 427.501 4.091 5 20 IIBD CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)NCCc1cccc([N+](=O)[O-])c1 533984459 FZARHZXXBVDSNF-UHFFFAOYSA-N 443.891 4.463 5 20 IIBD COc1ccc(CN[C@H]2CN(C)Cc3ccccc32)cc1OCc1ccc([N+](=O)[O-])cc1 534531268 QOUMLYLAUZZEHD-QHCPKHFHSA-N 433.508 4.459 5 20 IIBD C[C@@H](Nc1ccc(I)cc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 535132664 FMXGASCDZUMLDS-ZQJOYCHOSA-N 430.267 4.110 5 20 IIBD CC[C@@H](C[C@H](C)CO)NC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 535422849 IDOLIUFVBGQDJI-HOCLYGCPSA-N 430.526 4.075 5 20 IIBD O=C(CC[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Nc1ccc(Cl)cc1 535512365 YHANXGOGXYHKIV-GDLZYMKVSA-N 433.873 4.181 5 20 IIBD CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])O[C@@H](C)C2 537590814 WWZRSOCZVNUFHX-IXDGSTSKSA-N 444.915 4.433 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 539764911 DPNLVNQMNKGABW-SFHVURJKSA-N 440.548 4.277 5 20 IIBD COc1ccc(NC(=O)CN[C@@H](C)c2sc(-c3ccccc3)nc2C)c([N+](=O)[O-])c1 541661383 HVHHRPIDLQECDC-ZDUSSCGKSA-N 426.498 4.325 5 20 IIBD CCCc1c(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cnn1-c1ccccc1 543106340 VSUSRRPYCDABDM-UHFFFAOYSA-N 449.467 4.060 5 20 IIBD CC(C)n1ncc2c(-c3nc(-c4ccc(N)c([N+](=O)[O-])c4)no3)cc(-c3ccco3)nc21 544935060 LADWMLZTEIBCMV-UHFFFAOYSA-N 431.412 4.480 5 20 IIBD Cc1nn(C)c(-c2nc(Cc3cccc(OCCCc4ccccc4)c3)no2)c1[N+](=O)[O-] 545029847 SNPFSVVNGRPJKJ-UHFFFAOYSA-N 433.468 4.289 5 20 IIBD Cc1ccc(-n2cnnc2SCc2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)cc1C 545142342 IVRXNSSMBPNOEQ-UHFFFAOYSA-N 436.497 4.367 5 20 IIBD COc1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)c2ccc(C(F)(F)F)cc2)cc1 546123269 HHBUJYFHYHNAKT-SFHVURJKSA-N 446.385 4.119 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])c1nnc(-c2ccccc2F)n1C[C@H]1CCCCO1 549649672 AZAVKPLIKCOEMF-QGZVFWFLSA-N 425.464 4.198 5 20 IIBD CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ncnc2sc([N+](=O)[O-])cc12 553210010 JDZHGOUFXRIVPD-UHFFFAOYSA-N 445.810 4.347 5 20 IIBD O=C(Nc1nc2c(s1)CSCC2)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 553303626 ZUPOXRONBDDSMK-UHFFFAOYSA-N 429.473 4.458 5 20 IIBD CC1CCN(c2ccc(C(=O)N3C[C@@H](C(F)(F)F)OC(C)(C)C3)cc2[N+](=O)[O-])CC1 553372056 DPUBQGCUANGBBE-KRWDZBQOSA-N 429.439 4.013 5 20 IIBD CCOC(=O)c1c(NC(=O)c2cc(OCC)ccc2[N+](=O)[O-])sc2c1CCSC2 554884571 MMSCCVKUIRCEOX-UHFFFAOYSA-N 436.511 4.273 5 20 IIBD CC[C@@H]1CCCC[C@H]1c1noc([C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 560048349 HBQNEYQTVMYVPA-ZTFGCOKTSA-N 434.518 4.187 5 20 IIBD Cn1cc(CNCCC(=O)Nc2cc(Cl)cc(Cl)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 560612481 YWVKRGQUZRPTOF-UHFFFAOYSA-N 448.310 4.421 5 20 IIBD COc1ccccc1O[C@H]1CCCN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1 560791108 ZUQIONHOLOYALK-HNNXBMFYSA-N 449.301 4.358 5 20 IIBD Cc1c(CNC(=O)C(=O)N(Cc2ccccc2Cl)C2CCCC2)cccc1[N+](=O)[O-] 563562650 SSGYHAPTUQOECR-UHFFFAOYSA-N 429.904 4.144 5 20 IIBD O=C(NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F)c1c[nH]nc1[N+](=O)[O-] 564739685 DTIQVVOGNLKLSA-UHFFFAOYSA-N 442.300 4.337 5 20 IIBD Cc1ccc(-c2noc(Cc3cc4c(cc3Br)OCCO4)n2)cc1[N+](=O)[O-] 570724433 PRAKDUSBUVRMHN-UHFFFAOYSA-N 432.230 4.078 5 20 IIBD COc1cc(CNC[C@]2(C)OCCc3sccc32)c([N+](=O)[O-])cc1OCC(F)(F)F 574489853 XOXDCQBKIIHJLZ-SFHVURJKSA-N 446.447 4.184 5 20 IIBD CC[C@@H](NC(=O)Cc1noc(C(C)(C)c2ccc([N+](=O)[O-])cc2F)n1)c1ccccc1 583961231 QATOEFYSBBILEP-GOSISDBHSA-N 426.448 4.253 5 20 IIBD O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 589679562 RZFRJBXGWROKDT-BETUJISGSA-N 438.328 4.001 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(Sc3nccn3C)cc2)cc1[N+](=O)[O-] 603567431 FYFCZZGGDHGGAY-UHFFFAOYSA-N 444.538 4.360 5 20 IIBD COCCN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@@H](C)c1cccc(C(F)(F)F)c1 603568108 PISKITKNJLZSQL-AWEZNQCLSA-N 426.391 4.229 5 20 IIBD C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc1Cl 603988055 YHPWQVJLLLSJGX-CQSZACIVSA-N 431.876 4.280 5 20 IIBD COc1cc(OCC(=O)N[C@H](COc2ccccc2F)c2ccccc2)ccc1[N+](=O)[O-] 604456351 KQQUGODHLHZRNW-LJQANCHMSA-N 440.427 4.058 5 20 IIBD COc1cc(Br)c(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OC 608898505 DOGMWEGPVXFRQB-UHFFFAOYSA-N 435.230 4.051 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 609467498 QPWDTGXKXLZGME-GHMZBOCLSA-N 443.344 4.182 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(CN3CCOCC3)cc2)no1 609475658 YVMAWUDTOQJTOJ-HNNXBMFYSA-N 426.498 4.330 5 20 IIBD C[C@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc2ccccc2n1C 609839110 JZSIYAZAGBLHHS-LBPRGKRZSA-N 435.406 4.180 5 20 IIBD Cc1c(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cccc1-n1cnnn1 610892585 JCFCARXKXYLYIX-UHFFFAOYSA-N 432.465 4.282 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(CCc2ccccc2Br)no1 612947427 VYCYIYQEWUXVMY-GFCCVEGCSA-N 445.273 4.017 5 20 IIBD CC(C)N(C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccc(F)cc1Cl 726367969 BLYLYXBOVZWZPM-LBPRGKRZSA-N 437.830 4.321 5 20 IIBD COc1ccc(CC(=O)O[C@@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)cc1[N+](=O)[O-] 727885326 CMBVTQKQDXMGDG-CVEARBPZSA-N 436.464 4.108 5 20 IIBD O=C(Cn1ccc([N+](=O)[O-])n1)O[C@H](Cc1ccccc1)c1ccc(Br)cc1 727962874 LTVSLDAGCDYWBC-QGZVFWFLSA-N 430.258 4.081 5 20 IIBD CCSCc1ccc(C(=O)OC[C@@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])cc1 730703242 HXKPJALPPBMNGY-SFHVURJKSA-N 428.510 4.310 5 20 IIBD CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc([N+](=O)[O-])ccc1Cl 733106713 AMEDPSRCWZHRBR-UHFFFAOYSA-N 429.826 4.471 5 20 IIBD COc1cc(C(=O)OCc2cc(Br)cs2)c([N+](=O)[O-])cc1OC(F)F 733220638 VNOBNJABQJMATB-UHFFFAOYSA-N 438.202 4.386 5 20 IIBD Cc1nonc1CNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 736153609 WGKIDHGWMYPAEM-GDNBJRDFSA-N 435.465 4.143 5 20 IIBD Cc1c(C(=O)Nc2ccc(O[C@H]3CCCC[C@H]3O)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 736171786 UWQAVPURSUINKS-MOPGFXCFSA-N 429.429 4.054 5 20 IIBD O=C(COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)Nc1c(F)cc(F)cc1Br 736867862 ZVQKVVLXBASHRG-UHFFFAOYSA-N 449.591 4.084 5 20 IIBD COC(=O)C1=C(C)N(CCc2cccs2)C(=O)N[C@@H]1c1cc(Cl)ccc1[N+](=O)[O-] 739667245 KSSIBPYEWCVVFG-QGZVFWFLSA-N 435.889 4.066 5 20 IIBD NC(=O)N1CCCN(C(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)CC1 740743154 HGROCYIAOUQJFJ-UHFFFAOYSA-N 427.504 4.160 5 20 IIBD CN(C(=O)OC(C)(C)C)c1ccc(OS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 742330857 AUNFCMZRJKCTEH-UHFFFAOYSA-N 442.877 4.387 5 20 IIBD CCO[C@H]1C[C@H]1C(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 744284644 UNKFUOAVEQTPCA-DYVFJYSZSA-N 439.251 4.484 5 20 IIBD Cc1ccc(C(=O)N(C)c2ccc(OC(=O)CN(C)c3ccccc3[N+](=O)[O-])cc2)cc1 744355224 LCNRMKVAMLEFPL-UHFFFAOYSA-N 433.464 4.222 5 20 IIBD Cc1ccccc1-c1noc([C@H](C)OC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)n1 746069880 KKPREOSGBOEIQB-AWEZNQCLSA-N 433.424 4.272 5 20 IIBD O=C(c1ccc(I)c([N+](=O)[O-])c1)N(CC(F)(F)F)C1CCCC1 749138430 SYOHLKIAZGMQML-UHFFFAOYSA-N 442.175 4.147 5 20 IIBD CN(C)[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1ccccc1 749408923 KCXNNTJZKKUMIS-OAHLLOKOSA-N 426.698 4.043 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)c1cccc(Cl)c1[N+](=O)[O-] 749914477 ZFVDGXNZNGCVMR-UHFFFAOYSA-N 434.832 4.472 5 20 IIBD O=C(OCc1ccc(-n2ccnc2)nc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 750318589 IRUPNJPQLNEIOB-UHFFFAOYSA-N 429.436 4.145 5 20 IIBD Cc1ccccc1Cc1noc(COC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 750883959 NSPPKJMQFLAFKZ-UHFFFAOYSA-N 436.449 4.358 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N(Cc2cccc(F)c2)C[C@@H]2CCCO2)cc1[N+](=O)[O-] 752248836 GOYFZILNFHUOHQ-INIZCTEOSA-N 442.896 4.066 5 20 IIBD Cc1ccc(CNC(=O)c2nnc(COc3cc(F)c(Cl)cc3[N+](=O)[O-])s2)cc1 752906179 HTNDDYMDUVGOPO-UHFFFAOYSA-N 436.852 4.056 5 20 IIBD Cc1cc(F)cc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1[N+](=O)[O-] 753353312 VRAXYQKILKAFOP-UHFFFAOYSA-N 447.772 4.425 5 20 IIBD CCN(Cc1cccc(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])c1)C(=O)C(F)(F)F 753353380 WDPNENWEIPLDBG-UHFFFAOYSA-N 427.354 4.205 5 20 IIBD C[C@@H]1CCCCN1C[C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 755006818 GPTYLZJDSMDECR-KGLIPLIRSA-N 442.329 4.223 5 20 IIBD CC(=O)Nc1cccc(NC(=O)[C@H](OC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C(C)C)c1 755069654 XDXQNTJVSVNUIC-RNODOKPDSA-N 445.447 4.002 5 20 IIBD CCOc1cc(COC(=O)c2cn(CC)c3ccc(Cl)cc3c2=O)ccc1[N+](=O)[O-] 755531109 OTAHJTQGECSXTA-UHFFFAOYSA-N 430.844 4.339 5 20 IIBD CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 756769170 SEXUXTTWPACZCN-UHFFFAOYSA-N 436.251 4.198 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccc(NC(=O)NC2CC2)cc1 758074355 USWDAPLPMHVKKO-NSHDSACASA-N 447.289 4.132 5 20 IIBD C[C@@H](C(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1 761447772 JQVLUXXRLXIQRJ-OAHLLOKOSA-N 447.447 4.361 5 20 IIBD Cc1cnc(O)n1-c1ccc(-c2noc(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1 761828515 DHLBBUFUOSOCAU-UHFFFAOYSA-N 432.440 4.112 5 20 IIBD C[C@@H](C(=O)Nc1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2)c1cccc([N+](=O)[O-])c1 762232154 XOHLWFIHTKTZSL-CQSZACIVSA-N 426.473 4.025 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(Cc2noc(-c3n[nH]c4ccc([N+](=O)[O-])cc34)n2)cc1 762285072 UICPRMULAAZBCV-UHFFFAOYSA-N 436.428 4.459 5 20 IIBD CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)N2Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 769635485 DFDMPIWEOQKVNP-ALOPSCKCSA-N 443.504 4.055 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CN3CCOC[C@@H]3C[C@@H](O)c3cccs3)cs2)c1 770304257 MDGKFYHXOVQCPG-ZWKOTPCHSA-N 431.539 4.104 5 20 IIBD Cc1cc(Br)ccc1-c1noc(CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 771200379 XNROYPVNTJUPLF-UHFFFAOYSA-N 433.218 4.409 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)OCc1ccc(Br)c([N+](=O)[O-])c1 773380369 FPNLRNHZXRPFTA-UHFFFAOYSA-N 427.232 4.101 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] 773894694 VENWXNGSXNXIAW-PIGZYNQJSA-N 425.254 4.311 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCC(Oc2ncccc2F)CC1 774775056 JABULLHKXFOBIP-UHFFFAOYSA-N 430.314 4.104 5 20 IIBD C[C@@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cc(F)ccc1N1CCC(O)CC1 775356816 SWUPOKFXHNDKEC-OAHLLOKOSA-N 440.475 4.201 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CCO[C@@H](Cc2ccccc2)C1 776542738 HDOHINHONDRPHJ-AWEZNQCLSA-N 439.693 4.094 5 20 IIBD CCc1nc2ccccc2n1[C@H]1CCCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 776572393 WPQOQXMXPJFJKK-HNNXBMFYSA-N 438.484 4.001 5 20 IIBD COC(=O)N1CCC([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC1 776962598 JFDOBKSJZJGMCL-AWEZNQCLSA-N 435.546 4.226 5 20 IIBD COC(=O)c1oc2ccccc2c1COC(=O)c1cccc([N+](=O)[O-])c1Br 781675306 RZMGXPBQOOBBIL-UHFFFAOYSA-N 434.198 4.247 5 20 IIBD O=C(NCC1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1)OCc1ccccc1 785778618 WZKUWKUSAQHFKB-UHFFFAOYSA-N 446.891 4.419 5 20 IIBD C[C@@H](Cc1ccccc1Br)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790558445 IERVRTRKCFZOLK-JTQLQIEISA-N 429.673 4.440 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2nc3ccc(Cl)cc3s2)c(C)c1[N+](=O)[O-] 790638892 IMGKYZXJVUDGOU-UHFFFAOYSA-N 442.862 4.184 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1n[nH]c(-c2ccccc2)c1Br 792040861 SPTVZFGHFVNNJU-UHFFFAOYSA-N 447.201 4.013 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(CC[C@H](O)c2ccccc2)cc1 794860126 FCUMUEWCCGWITN-FQEVSTJZSA-N 442.493 4.070 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2cc(Br)ccc2c1 794866887 QVFXTQSSAUZOSF-UHFFFAOYSA-N 437.271 4.320 5 20 IIBD Cc1ccc(Oc2ccccc2NC(=O)COC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1 796258915 WPUBXNFFUCXKQZ-UHFFFAOYSA-N 438.440 4.338 5 20 IIBD COc1c(C(=O)O[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)cccc1[N+](=O)[O-] 796310234 STGCFLHWNQPAGG-INIZCTEOSA-N 434.448 4.055 5 20 IIBD Cc1cc(OCC(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)ccc1[N+](=O)[O-] 797492593 FOSIJSUYBDVYRL-LLVKDONJSA-N 427.240 4.159 5 20 IIBD O=C(Nc1ccc(F)c([N+](=O)[O-])c1)C1(c2ccc(I)cc2)CC1 799861825 RQDZTEYZBAIUPZ-UHFFFAOYSA-N 426.185 4.009 5 20 IIBD CC[C@](O)(C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc(Cl)c1 800320628 GCOHHPFFWAGKHG-JEOXALJRSA-N 441.267 4.070 5 20 IIBD CCCCn1ncc(C(=O)Nc2ccc([N+](=O)[O-])c(I)c2)c1CC 801699497 JFQCLTJVJKHFGO-UHFFFAOYSA-N 442.257 4.011 5 20 IIBD CCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@H](c1cccnc1)c1ccc(F)c(F)c1 801894349 SHMRMJPBPZJXKF-FQEVSTJZSA-N 430.386 4.241 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)OCC(=O)N(C)C(c2ccccc2)c2ccccc2)c1F 803462603 PCTYTPXJCFAOCQ-UHFFFAOYSA-N 436.439 4.447 5 20 IIBD COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OC(=O)OC[C@@H]1CCCO1 804938335 VOZQKWKFWFCZDG-QFBILLFUSA-N 440.452 4.280 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 806704583 QBYKSLHCAROWLT-UHFFFAOYSA-N 446.217 4.216 5 20 IIBD COC(=O)c1sc(COC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)nc1C 809140178 LRZFZPVVPFXKSM-UHFFFAOYSA-N 428.422 4.296 5 20 IIBD Cc1c(C(=O)N2CCCC[C@H]2c2nnc(C3CCC3)o2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 809227157 CWWUOKRABPBBQB-HNNXBMFYSA-N 429.433 4.138 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]2c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)C1 809433011 BMHLYPKASOFRAJ-KSFYIVLOSA-N 439.472 4.164 5 20 IIBD Cc1c(Cc2noc([C@H]3CN(C(=O)OC(C)(C)C)CCC3(F)F)n2)cccc1[N+](=O)[O-] 809435745 MWPYKDGVDSUSKE-CQSZACIVSA-N 438.431 4.237 5 20 IIBD COc1ccccc1NC(=O)C1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 809912857 MMFQJABZTBCHNT-UHFFFAOYSA-N 432.864 4.139 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1c1ccc(Cl)cc1 812105925 UQYPVVXFXBNLLO-IBGZPJMESA-N 427.892 4.495 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1cnc(N2CCCCC2)s1 815510570 BWKMBDCTIXBCGD-UHFFFAOYSA-N 443.403 4.100 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCN(C(=O)OCc2ccccc2)CC1 915867752 CBPVYRXNTFOKOQ-UHFFFAOYSA-N 449.410 4.184 5 20 IIBD CC(C)Cn1c(-c2ccco2)nn(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1=S 917455811 ATEQADDCRSQDHO-UHFFFAOYSA-N 442.545 4.018 5 20 IIBD Cc1c(C(=O)NCC2(c3ccc(Br)cc3)CCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 918392659 UHUHRVINWFQGPW-UHFFFAOYSA-N 448.273 4.426 5 20 IIBD COC(=O)c1sc2cccc(F)c2c1COC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 919228323 MJEVYXVGPSORLA-UHFFFAOYSA-N 448.384 4.309 5 20 IIBD C[C@@H]1CN(C(=O)Cn2cc(NC(=O)c3c4ccccc4cc4ccccc34)cn2)C[C@@H](C)O1 1323427507 JLDCNVXUMSJTDL-QZTJIDSGSA-N 442.519 4.078 5 20 IIBD Cc1cn(CC(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)c2ccccc12 1334229899 KTISQXCJKRSUDJ-UHFFFAOYSA-N 433.468 4.345 5 20 IIBD O=C(OCc1ccc(C(=O)N2CCCC2)cc1)c1sc(Br)cc1[N+](=O)[O-] 1343897061 WIKMFLFXMFFLHX-UHFFFAOYSA-N 439.287 4.012 5 20 IIBD COC(=O)CCc1c(C)nn(-c2ccc(-c3nnc(-c4cccc([N+](=O)[O-])c4)o3)cc2)c1C 1345781710 FUCRJBIYVRCJAX-UHFFFAOYSA-N 447.451 4.220 5 20 IIBD CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])o4)CCC3)cc2)cn1 1787252963 VFBGUTWETHLBOU-UHFFFAOYSA-N 434.452 4.207 5 20 IIBD CO/C=C(\C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(F)c3[N+](=O)[O-])CCC2)cc1 1789432746 WEPSMRGDYHVILR-BUHFOSPRSA-N 427.432 4.032 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccc(-c2ccccc2)cc1 1799481007 HIIXKKLCVBVLIE-WKCHPHFGSA-N 444.491 4.156 5 20 IIBD Cc1ccccc1CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1[N+](=O)[O-] 1804345057 SWNBTSPYYOZYSD-SYTBUFMUSA-N 447.535 4.187 5 20 IIBD CCCC(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)[C@H]1c1cccnc1 1806407278 NQSIWTYBDGWXIB-KKSFZXQISA-N 444.919 4.071 5 20 IIBD O=C(Cc1ccc(Cl)cc1[N+](=O)[O-])N1CCC2(CCCN(C(=O)C3CCCC3)C2)CC1 1808919086 FVEWXSFCNMWFCF-UHFFFAOYSA-N 447.963 4.212 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[nH]n1)C(F)F 1816841616 HUTSWKUKQISJOL-CYBMUJFWSA-N 449.439 4.104 5 20 IIBD CC(C)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])[nH]n1 1821933871 GMSGKLDRBRHLFU-RPAADVPWSA-N 439.516 4.460 5 20 IIBD CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccc([N+](=O)[O-])o3)CC2)CCC1 1824275969 KYJDGRKUXPEHNN-ZLQZBKBYSA-N 429.517 4.011 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCC([C@@H]2CCCCN2C(=O)c2ccsc2)CC1 1825793171 XHBZKSJKCCFCDF-OQBYNLHGSA-N 443.525 4.196 5 20 IIBD C[C@@H]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1828478137 CSXQHFFZCDQWCM-YFXJRYMSSA-N 441.572 4.193 5 20 IIBD CC(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)CC1 1830293384 ZWFGNQMLKPMFCQ-JOCHJYFZSA-N 441.572 4.292 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)c(C(F)(F)F)c1 9653988 FCZKWMDLEFINOO-UHFFFAOYSA-N 447.163 4.172 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1ccc(Cl)cc1C(F)(F)F 10051201 BJIZRTOCLQWNSZ-UHFFFAOYSA-N 445.781 4.129 5 20 IIBD O=C(c1cccc(Cl)c1Cl)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 10274113 SYNKVFNJEGQIDT-UHFFFAOYSA-N 431.279 4.412 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2ccc(Cl)nc2)c2ccccc2)c([N+](=O)[O-])c1 10804835 WRDJFLFSLYLFPN-LJQANCHMSA-N 425.828 4.488 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1sc2cccc(F)c2c1C 17150460 QVSLIQKCORFASV-NSHDSACASA-N 432.429 4.450 5 20 IIBD CCC[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 23968942 VCASJGOAHIUHQT-DGCLKSJQSA-N 437.543 4.361 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 24227701 NOWITNBXCGCNHB-UHFFFAOYSA-N 426.450 4.040 5 20 IIBD O=C(NCc1ccccc1-c1ccc(CN2CCCC2)cc1)c1ccc([N+](=O)[O-])c(O)c1 26405218 QVKRKSAZQYMVME-UHFFFAOYSA-N 431.492 4.493 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(OCc2ccc(Cl)c3cccnc23)c([N+](=O)[O-])c1 31645672 JZHCBHLLAKCQIL-UHFFFAOYSA-N 449.916 4.406 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1C 60508068 GVZLOMGEBKYQKZ-UHFFFAOYSA-N 436.917 4.149 5 20 IIBD CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 72058148 LJUQMEATGKMIHC-CQSZACIVSA-N 434.899 4.020 5 20 IIBD COc1ccc([C@H](NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)c2ccccc2)cc1 105677907 WSVJWMPAHIZGHY-HSZRJFAPSA-N 443.463 4.012 5 20 IIBD COc1ccc(F)cc1[C@H](C)NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 117310966 KHVYVIHGOPSPTA-NSHDSACASA-N 429.370 4.441 5 20 IIBD COc1ccc(-n2c(Sc3ncc([N+](=O)[O-])cn3)nnc2-c2ccc(Cl)cc2)cc1 302180877 ZNYJLMBHKJQORG-UHFFFAOYSA-N 440.872 4.446 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC(C)(C)c1c(Cl)cccc1Cl 303278593 TWNFHMLFOLVZOF-LBPRGKRZSA-N 438.311 4.114 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)c1 409576862 YBLSFAVFBBLNSG-UHFFFAOYSA-N 426.450 4.283 5 20 IIBD Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)cnn1-c1ccc(Cl)cc1 426507103 BTOVFVFXDDUKIN-UHFFFAOYSA-N 432.889 4.079 5 20 IIBD CC(C)(NC(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 429175715 VCNRRTFGFWKVQW-NZQKXSOJSA-N 429.492 4.042 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1C(=O)N(C)C 434171375 YKANQEZHQOEXEN-MRXNPFEDSA-N 447.495 4.425 5 20 IIBD C[C@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCc2sccc2C1 436081743 IKOZHAOZEMONSA-CQSZACIVSA-N 435.524 4.059 5 20 IIBD O=C(Nc1ccc2c(c1)Cc1ccccc1-2)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 437031336 MWMYJIIAVDCSAB-UHFFFAOYSA-N 427.460 4.296 5 20 IIBD O=C(CCSCc1nc(O)c2ccccc2n1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 438127546 DNWQKGKMHFGAGZ-UHFFFAOYSA-N 438.509 4.058 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)[C@@H]1C[C@@]12CCCc1ccccc12)c1ccccc1[N+](=O)[O-] 438895079 OWWQKAYYSAUAEG-STWLZBDKSA-N 436.508 4.388 5 20 IIBD Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccccc1CN1C[C@H](C)O[C@H](C)C1 439111890 NRILZAANZLQVKV-IYBDPMFKSA-N 431.920 4.096 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCCOC1CCN(Cc2ccccc2)CC1 443964047 UDQFTUNUACLDPW-UHFFFAOYSA-N 440.544 4.404 5 20 IIBD Cc1sc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1-c1ccc(F)cc1 446314959 ZBRLLTPKPUDMRI-INIZCTEOSA-N 426.473 4.492 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCC1(c2cccc(Cl)c2)CCOCC1 447804862 GZDYNWRFUXNNAW-UHFFFAOYSA-N 445.947 4.241 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)Nc2ccnn2-c2ccc(Br)cn2)cc1[N+](=O)[O-] 448116110 KPYZPZXDXNTJFO-GFCCVEGCSA-N 445.277 4.129 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCN([C@H](C)c3ccc(Cl)cc3)CC2)cc1SC 460517985 FTBQDTRUNQLRJA-CQSZACIVSA-N 449.960 4.498 5 20 IIBD CC(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H]1c1noc(C(C)C)n1 460584614 ROZMRDGJGUPMKY-QGZVFWFLSA-N 425.493 4.357 5 20 IIBD O=C(N[C@H]1c2ccccc2CC12CCOCC2)c1ccc([N+](=O)[O-])cc1Br 461023365 CKHSAIMSUAOWJQ-SFHVURJKSA-N 431.286 4.181 5 20 IIBD O=C(NCCC(=O)N1Cc2ccccc2C[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 464216095 SYAMCNPVUKMECL-HSZRJFAPSA-N 429.476 4.041 5 20 IIBD CCc1ccc([C@@H](CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)N(C)C)cc1 465425270 BOGOJLWKDRYFBX-HSZRJFAPSA-N 440.544 4.013 5 20 IIBD COCc1ccc([C@H]2CCCN2S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])o1 466575432 JNQKWJNHICVHNT-CYBMUJFWSA-N 435.285 4.167 5 20 IIBD COC(=O)COc1ccc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c2ccccc12 468197674 WWWYNGDSEKRNQV-AWEZNQCLSA-N 440.477 4.419 5 20 IIBD Cc1csc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1I 469041283 RVTORHOZGVMOIY-UHFFFAOYSA-N 442.278 4.374 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(=Cc3ccc(F)c(F)c3)CC2)c2ncccc12 469396021 RUNTYPQLCNSVBL-UHFFFAOYSA-N 445.447 4.289 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC(CCC(C)C)CC1 470240547 WDQVMNNDYCNNGK-HXUWFJFHSA-N 435.590 4.121 5 20 IIBD CC[C@@H](Nc1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1[N+](=O)[O-])C1CCOCC1 470869744 JUNKMQRRIOCASK-HXUWFJFHSA-N 447.557 4.427 5 20 IIBD CC(C)c1ccc(C(=O)N2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1[N+](=O)[O-] 473633243 HFGKUOBFAVMVED-UHFFFAOYSA-N 433.867 4.109 5 20 IIBD CC(C)[C@H]1CCc2ccccc2N1C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 476382983 UKBFKRVRVVQGBT-QGZVFWFLSA-N 437.525 4.492 5 20 IIBD Cc1ccc(Br)c(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c1 477478895 LYTFKBADUILHCX-KRWDZBQOSA-N 449.301 4.479 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2cc(Cl)ccc2C1 480843425 VEEBGPKLUKDWMT-UHFFFAOYSA-N 434.901 4.102 5 20 IIBD CCc1ccc([C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)CCO2)cc1 482058646 DKVGZYQYBUHPIR-LJQANCHMSA-N 433.302 4.062 5 20 IIBD CC(=O)CSCC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 485467161 LDGZBIDMFPBNQZ-UHFFFAOYSA-N 426.853 4.118 5 20 IIBD COC(=O)C(C)(C)c1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 485911125 ZHPXSYUAZCMNBB-UHFFFAOYSA-N 427.276 4.122 5 20 IIBD Cc1ccccc1CN1CCC(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 486311344 NQTMACZCXFCXOA-UHFFFAOYSA-N 430.936 4.063 5 20 IIBD O=c1c2ccccc2nc(SCc2c(Cl)cccc2[N+](=O)[O-])n1C[C@@H]1CCCO1 487670225 CJHUPVWDSGZRIY-ZDUSSCGKSA-N 431.901 4.429 5 20 IIBD COc1ccc(CCNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1OC(F)F 487971855 BBXKTOXQPFCREN-UHFFFAOYSA-N 435.427 4.122 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(NC(=O)C2CC2)ccc1C 488568358 LYTUEBPRXKPTRA-UHFFFAOYSA-N 429.498 4.243 5 20 IIBD CCC[C@H](NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)N1CCc2sccc2C1 489138256 LXAOPGLDEHUVNB-YJBOKZPZSA-N 444.557 4.079 5 20 IIBD COc1c(F)cc(S(=O)(=O)N(C)[C@@H](C)c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 490704484 KRXAKNVHDCBUGI-VIFPVBQESA-N 437.276 4.431 5 20 IIBD CCOCCOc1ccc(Br)cc1NC(=O)c1ccc([N+](=O)[O-])c(OC)c1 491469293 MADZLYNFNYRELO-UHFFFAOYSA-N 439.262 4.034 5 20 IIBD O=C(CSc1nncn1-c1cccc(Cl)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 493057671 RIKUXCRLSDKGOY-UHFFFAOYSA-N 443.916 4.112 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc3oc(C(F)(F)F)nc23)c2ncccc12 494448535 FYSZGFFGFKVUPN-UHFFFAOYSA-N 438.343 4.104 5 20 IIBD CC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC12CCCCC2 498629686 ISKDAXNZTNLIIX-UHFFFAOYSA-N 437.496 4.394 5 20 IIBD O=C(O)[C@H]1CCCN1C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 498822613 VPUYDMBGWWETGH-NKAIQICCSA-N 437.477 4.211 5 20 IIBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)[C@@H]1C[C@H]1c1ccc(Br)cc1 499287566 LRSWYHSVTOYFOJ-UONOGXRCSA-N 433.258 4.261 5 20 IIBD CN(C)Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)ccc1Cl 500753323 ZZOZCTNFMASRBT-UHFFFAOYSA-N 426.698 4.254 5 20 IIBD CCOc1ccc(C(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)cc1[N+](=O)[O-] 501870873 CLAGYQRCLTZTMA-UHFFFAOYSA-N 437.427 4.315 5 20 IIBD C[C@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)N(C)Cc1ccccc1[N+](=O)[O-] 503580767 FNOLJSFCBJFYQD-OAHLLOKOSA-N 438.509 4.368 5 20 IIBD CCCCCn1cc(CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(C)n1 503805761 QDGKTFAAOQKVHM-UHFFFAOYSA-N 429.521 4.043 5 20 IIBD COc1cc(CNC(=O)c2cc3ccccc3c3cccnc23)ccc1OCCN(C)C 504814052 YLGCXUWWXXIONA-UHFFFAOYSA-N 429.520 4.267 5 20 IIBD C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)CSc2ccccc2[N+](=O)[O-])C1 513029192 JCBMOUFBGAEFIN-HZPDHXFCSA-N 427.526 4.444 5 20 IIBD Cc1sc(NC(=O)c2ccc(CN3CCCC3=O)cc2)nc1-c1cccc([N+](=O)[O-])c1 515621720 WYVWUEAJPDYKLS-UHFFFAOYSA-N 436.493 4.401 5 20 IIBD C[C@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(F)c2ccccc12 516108906 RSAHTJJHTFVRNN-LBPRGKRZSA-N 429.835 4.148 5 20 IIBD O=C(Cc1noc(-c2ccc(C3=CCCC3)cc2)n1)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 516517167 IWPHBIGYEXWSIZ-UHFFFAOYSA-N 448.435 4.165 5 20 IIBD C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 517836827 KLUBUXDBRZUQRJ-ZMZPIMSZSA-N 437.315 4.335 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 517852321 JKOXNEUEWXGFKW-QGZVFWFLSA-N 427.457 4.430 5 20 IIBD O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 521337260 PGOUJCKKHHXRIP-INIZCTEOSA-N 426.231 4.284 5 20 IIBD COc1ccccc1Oc1ccc(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 521377003 XRJQNPZMNNZJHU-UHFFFAOYSA-N 428.466 4.015 5 20 IIBD CC[C@H]1CN(C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C[C@H](C)O1 521991392 JNNCKYBRQDDKSJ-HOCLYGCPSA-N 428.510 4.187 5 20 IIBD Cc1cc(NC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n(C(C)(C)C)n1 522090244 ZAMBLGXRMCVMEY-UHFFFAOYSA-N 428.415 4.107 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN3CCN(c4ncc(Cl)cc4Cl)CC3)o2)c1 532919789 QBRHYQNJOMCWRF-UHFFFAOYSA-N 448.310 4.316 5 20 IIBD Cc1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)ccc1NC(=O)c1cccs1 534798253 IPXKUBLLTYOSJD-UHFFFAOYSA-N 448.464 4.254 5 20 IIBD CC[C@@H]1c2ccsc2CCN1C(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)OC 534971829 IKVNWSGZMLDVPR-MRXNPFEDSA-N 434.539 4.461 5 20 IIBD O=[N+]([O-])c1cc(CN2CCN(C3CCOCC3)CC2)ccc1Oc1ccccc1Cl 537616083 VSJCKJUCQBRTMN-UHFFFAOYSA-N 431.920 4.337 5 20 IIBD Cc1csc(-c2cccc(C(=O)NCCCNc3ncnc4ccc([N+](=O)[O-])cc34)c2)n1 538300631 CXANESOAJCWNES-UHFFFAOYSA-N 448.508 4.202 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)c1 538417137 NKQHXQRQXXPYNC-UHFFFAOYSA-N 431.876 4.200 5 20 IIBD COc1cc(C(=O)Nc2cc(C)n(-c3ccc(C)cc3)n2)c([N+](=O)[O-])cc1OC(F)F 539452127 PJTJNLWNIOSIJO-UHFFFAOYSA-N 432.383 4.260 5 20 IIBD CC(C)OCCN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 541732085 VLCSRJHJVBUWOS-UHFFFAOYSA-N 449.617 4.496 5 20 IIBD CS(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2Nc2ccccc2F)cc([N+](=O)[O-])c1 543100322 QWLAWVKJXQGRCK-UHFFFAOYSA-N 447.419 4.272 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CCC(n3ccc(C(F)(F)F)n3)CC2)c1Br 543436959 OHZSSHXPUUAGDL-UHFFFAOYSA-N 434.216 4.118 5 20 IIBD CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 551767624 CTELKBQGJATAAP-DJJJIMSYSA-N 447.919 4.377 5 20 IIBD CN(Cc1cccc(Cl)c1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 555512599 DWTSUNUYBJCTHT-INIZCTEOSA-N 427.892 4.180 5 20 IIBD O=C(CN1CCOc2ccc([N+](=O)[O-])cc2C1)Nc1c(Cl)cc(Cl)cc1Cl 562072662 WOKAKSFTAYZQNE-UHFFFAOYSA-N 430.675 4.388 5 20 IIBD CCc1cc(-c2nc(-c3c([N+](=O)[O-])nc(C)n3C)no2)c2c(CC(C)(C)C)noc2n1 568852805 SKCPGDARJJLWBP-UHFFFAOYSA-N 425.449 4.041 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(Cc3noc([C@@H](c4ccccc4)N4CCSCC4)n3)c2c1 569766263 GIMZFLRYHBFIGY-OAQYLSRUSA-N 435.509 4.188 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2ccc(O)c(F)c2)c([N+](=O)[O-])c1 571961454 YIHKLCNOSNKSGP-UHFFFAOYSA-N 445.472 4.267 5 20 IIBD O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cccc(NC(=O)c2ccoc2)c1 573590122 BVMJXXAJWFYPIO-UHFFFAOYSA-N 433.424 4.286 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)Nc1cc(Cl)cc(Cl)c1 574837426 ZLIBOUXRYDQMMJ-UHFFFAOYSA-N 433.251 4.208 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCO[C@@H](c2ccc(F)cc2F)C1 576686136 CUGLUTNBWGLRTI-QGZVFWFLSA-N 445.344 4.175 5 20 IIBD CC(C)Cc1ccc([C@H](CNC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)N(C)C)cc1 579754748 CYUOASRLYCMEKP-QFIPXVFZSA-N 436.512 4.080 5 20 IIBD COc1cc(C(=O)N[C@@H](C)c2ccc(Br)cc2F)c([N+](=O)[O-])cc1OC 579901484 SADOEGUJTNVLPQ-VIFPVBQESA-N 427.226 4.005 5 20 IIBD O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)c1 590171462 WNHYWXLFOJJWAP-KRWDZBQOSA-N 443.447 4.020 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 603584305 XLCBSMCQKRQNDX-URLYPYJESA-N 434.358 4.091 5 20 IIBD Cc1c(C(=O)N2CCC(Oc3ccc(C(C)C)cc3)CC2)nnn1-c1cccc([N+](=O)[O-])c1 603814438 LSRZIELATYVLBY-UHFFFAOYSA-N 449.511 4.291 5 20 IIBD O=C(NCc1cccc(OCc2ccccn2)c1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 603829789 CMGSWQKABDOFCR-UHFFFAOYSA-N 444.394 4.492 5 20 IIBD Cc1sc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)nc1-c1cccc([N+](=O)[O-])c1 603997050 PEPNNVIQKMZVIM-QGZVFWFLSA-N 436.493 4.014 5 20 IIBD CN(C(=O)c1ccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1)C1CCCCC1 604118287 APYDOWSXVVHIOO-UHFFFAOYSA-N 447.495 4.438 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(N3c4ccccc4C[C@H]3C)CC2)cc1OC 604482395 DEALNFANTQXEGN-MRXNPFEDSA-N 439.512 4.058 5 20 IIBD C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 604482965 XWTWPNRNHLJIAN-CYBMUJFWSA-N 430.917 4.377 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1COCc1ccccc1 608877723 SMIGFEIAZDEGEW-QGZVFWFLSA-N 433.464 4.069 5 20 IIBD CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 608965733 CTGSVNFAMPPLDS-UHFFFAOYSA-N 449.555 4.180 5 20 IIBD COc1ccc(CC(=O)Nc2cc(Cl)cc(Br)c2OC)cc1[N+](=O)[O-] 609017199 VBWJWVQOODTUBV-UHFFFAOYSA-N 429.654 4.209 5 20 IIBD Cc1ccc(S(=O)(=O)c2ccc(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)cc2)cc1 609053288 APVCCTIFIMMOGF-UHFFFAOYSA-N 434.477 4.043 5 20 IIBD COc1ccsc1C(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 609265106 XIONQLJCXDXWHJ-UHFFFAOYSA-N 447.494 4.026 5 20 IIBD COc1cc2c(cc1OC)CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1Cl)CC2 609384304 HEWYQCRWONWJBA-UHFFFAOYSA-N 433.892 4.042 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1 609531534 SGHQAPKENPFWLV-ZDUSSCGKSA-N 448.410 4.299 5 20 IIBD O=C(NCC1CC1)[C@@H]1CCCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 609781030 LREZPSCKENDNLL-QGZVFWFLSA-N 438.484 4.157 5 20 IIBD COc1cccc(Cc2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3Br)s2)c1 610044689 YPJWRBSJAFQUGQ-UHFFFAOYSA-N 449.286 4.061 5 20 IIBD Cc1cc(NC(=O)[C@@H](NC(=O)c2ccccc2Br)C(C)C)ccc1[N+](=O)[O-] 611475430 NIKQZLSBRIMGPA-KRWDZBQOSA-N 434.290 4.059 5 20 IIBD CCCOc1cc(NC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)c([N+](=O)[O-])cc1OCCC 619727623 FMVFVHFMAKCILK-SZNDQCEHSA-N 430.457 4.339 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@H](c2ccccc2Br)C1 725728375 IREFITLMJYHIQS-INIZCTEOSA-N 425.666 4.224 5 20 IIBD Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C1 726547206 XEBVHRLUMMZIQC-HNNXBMFYSA-N 446.891 4.338 5 20 IIBD Cc1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1CCc1cccs1 727655034 YZYOISYTOUAUIP-UHFFFAOYSA-N 437.934 4.183 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])c(F)c1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 731518221 WWFOFALBFYRSOK-OAQYLSRUSA-N 442.830 4.450 5 20 IIBD CC(C)(Oc1cccc(Cl)c1)C(=O)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 733053184 XCDCKBKLGKRQAF-UHFFFAOYSA-N 441.267 4.032 5 20 IIBD CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Oc1ccc(CC)cc1[N+](=O)[O-] 734737501 RIKLEDMLOIHORJ-AWEZNQCLSA-N 437.539 4.427 5 20 IIBD O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc(SC(F)(F)F)cc1 735336699 LILLMCYQZPALOP-UHFFFAOYSA-N 442.371 4.362 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)CCCCOc1ccc(S(C)(=O)=O)cc1 735644793 SMDJDERGSKSMAF-UHFFFAOYSA-N 441.889 4.115 5 20 IIBD Cc1nc([N+](=O)[O-])c(Br)n1Cc1ncc(-c2ccccc2Br)o1 741852760 JTKWQBNHCQMUQJ-UHFFFAOYSA-N 442.067 4.328 5 20 IIBD Cc1nc(-c2cccc(C(=O)OCCNC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)cs1 744066045 HONXRSHGOZWHOM-UHFFFAOYSA-N 445.884 4.267 5 20 IIBD Cc1ccc(C)c(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 744554061 KIUYKXKFMWFZRH-QGZVFWFLSA-N 425.485 4.386 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)O[C@@H]2CCCN(c3ccccc3Cl)C2=O)c1 744721648 DFQZKIKIGHLRLJ-GOSISDBHSA-N 432.860 4.064 5 20 IIBD COc1cc(C2(C(=O)O[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CCC2)ccc1C 744907290 RLLARKVFYOEVMS-MRXNPFEDSA-N 426.469 4.212 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)c2nc(-c3ccccc3C)no2)cc1OC 746060446 KCJMUOGJSPBCHM-ZDUSSCGKSA-N 427.413 4.279 5 20 IIBD O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCc1ccc(-n2cnc3ccccc32)cc1 747088273 NWFIZDYCJFEUJE-UHFFFAOYSA-N 427.464 4.438 5 20 IIBD Cc1nn(Cc2ccc(C(=O)O[C@@H](c3ccccn3)C(F)(F)F)cc2)c(C)c1[N+](=O)[O-] 747350501 ARONYIDBMIGECO-SFHVURJKSA-N 434.374 4.312 5 20 IIBD C[C@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1NC(=O)c1ccccc1 748010799 CEUJLTUEXQBDAF-AWEZNQCLSA-N 434.404 4.494 5 20 IIBD Cc1c(C(=O)OCCCc2nc(-c3cccs3)no2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748949974 XRRVPPGRRLGRLO-UHFFFAOYSA-N 432.414 4.021 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)Cc1csc(-c2ccc(F)c(F)c2)n1 750167584 QUQBYPDFVJZATQ-UHFFFAOYSA-N 447.419 4.029 5 20 IIBD O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1NC(=O)c1cc(F)ccc1[N+](=O)[O-] 751077770 ZVPFGYBJZGGFCB-UHFFFAOYSA-N 437.383 4.010 5 20 IIBD C[C@H]1C[C@@H](CCNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 753149376 LZMFTODTIFCPLA-GJZGRUSLSA-N 445.903 4.436 5 20 IIBD CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(F)cc(C)c1[N+](=O)[O-] 753353134 SJWUFXYTGCRDIY-UHFFFAOYSA-N 427.354 4.162 5 20 IIBD O=C(Nc1nnc(Cc2ccccc2)s1)c1cc(F)cc([N+](=O)[O-])c1Br 754994227 PVRNJSYKHIVEQZ-UHFFFAOYSA-N 437.250 4.191 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ncc(F)cc1F 758590811 BVNKXBGFBNWBAA-GOSISDBHSA-N 447.781 4.458 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1cncc(Cl)n1 758642087 YAFVMAHSXQLQGY-QGZVFWFLSA-N 447.234 4.228 5 20 IIBD C[C@@H]1CC(=O)CC[C@H]1C(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 760552714 BHUATXJIBSLMIA-DUXSXAKTSA-N 444.871 4.477 5 20 IIBD CCSCc1ccnc(NC(=O)c2cc([N+](=O)[O-])ccc2I)c1 761961089 LRHLFZNNGLCREQ-UHFFFAOYSA-N 443.266 4.100 5 20 IIBD CCOC(=O)c1cc(-c2nc([C@@H](NC(=O)OC(C)(C)C)C(C)C)no2)cc([N+](=O)[O-])c1 762033075 RNTXBWPCVDYWIL-HNNXBMFYSA-N 434.449 4.043 5 20 IIBD CN1CC[C@@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 762736323 TYNXYGMDNWQVCZ-SGTLLEGYSA-N 426.275 4.464 5 20 IIBD C[C@@H]1CCCCN1CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 763760569 UJEDLMGVLJKGMP-LJQANCHMSA-N 428.577 4.312 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 764180282 YOJUMRSWCRFPAT-AWEZNQCLSA-N 435.546 4.369 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)OC[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(OC)cc1 764648094 JSAJSMLMWHIVRD-YCRPNKLZSA-N 444.509 4.092 5 20 IIBD COc1cc(N2CCC(OC(=O)CCc3cncc4ccccc34)CC2)ccc1[N+](=O)[O-] 765606907 FODONWCPZONNIN-UHFFFAOYSA-N 435.480 4.296 5 20 IIBD COc1cc([C@H](C)NS(=O)(=O)c2csc([N+](=O)[O-])c2)ccc1OC1CCCC1 768807149 JHDVJUTZIIPZOM-LBPRGKRZSA-N 426.516 4.026 5 20 IIBD COC1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3O)cc2C(F)(F)F)CC1 769016937 OQUMENSKCWQQBG-UHFFFAOYSA-N 439.390 4.187 5 20 IIBD Cc1cc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)n(-c2ccc(C(F)(F)F)cn2)n1 771806851 GHQUTUQFBPVMPZ-UHFFFAOYSA-N 427.289 4.033 5 20 IIBD C[C@H](C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1cn(C)c2ccccc12 772834380 JSNPAZBDEKHYGE-QWHCGFSZSA-N 429.860 4.414 5 20 IIBD CC(C)(C)OC(=O)NCCC(=O)O[C@H](c1ccc(Br)cc1)C(C)(C)[N+](=O)[O-] 774368234 XBHCFJNZCIUFHV-OAHLLOKOSA-N 445.310 4.004 5 20 IIBD Cc1nc(COc2ccc(C(=O)O[C@@H](c3cccnc3)c3ccccc3[N+](=O)[O-])cc2)no1 776130644 BMIJDVSNTFORCK-QFIPXVFZSA-N 446.419 4.207 5 20 IIBD O=C(CCN1CCCCC1)Nc1ccc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc1 777976894 STQVFCYNMFEPAX-UHFFFAOYSA-N 446.454 4.140 5 20 IIBD CN1CC[C@H](CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 778057005 RGTFFDPKWNNYNV-FZKQIMNGSA-N 441.837 4.288 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1c(F)ccc([N+](=O)[O-])c1F 778130957 VFWJFQWAIIMDFM-CYBMUJFWSA-N 431.178 4.142 5 20 IIBD COc1cc([C@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)C(F)(F)F)cc(OC)c1OC 778530958 DMIWJULAFCYHQN-INIZCTEOSA-N 445.419 4.211 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1nc(-c2ccc(Cl)cc2)no1 778820528 RTQBBXFZWPFFHP-SECBINFHSA-N 438.774 4.391 5 20 IIBD COc1cc(COC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)c([N+](=O)[O-])cc1OCC(F)F 780060439 KQJIANSOPFXPOT-CABCVRRESA-N 425.359 4.233 5 20 IIBD CCC[C@@H]1C[C@@H](C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCO1 780169206 MACNTXQXMOIKKQ-UKPHBRMFSA-N 447.513 4.184 5 20 IIBD CN1CCC(N(C)c2ccc(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)cc2)CC1 780409906 KTEQUMNBCXEYQK-UHFFFAOYSA-N 440.547 4.464 5 20 IIBD Cc1cccc2c(O)nc(COC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)nc12 781259122 ICULOHWTDGYBHK-UHFFFAOYSA-N 447.397 4.274 5 20 IIBD O=C(O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 781564966 ZQJMVMPENTZGGS-SFHVURJKSA-N 429.432 4.025 5 20 IIBD C[C@H](C(=O)OCc1nnc(-c2ccccc2Br)o1)c1cccc([N+](=O)[O-])c1 784994723 XKQXXOFRWUAGDO-NSHDSACASA-N 432.230 4.254 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1SCCO)C(=O)c1ccccc1C(F)(F)F 789076583 GPNJFEUXGZUZCQ-NSHDSACASA-N 443.399 4.126 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)C(C)(C)c1ccc(Cl)cc1F 789217455 PUFKMKSZWDMYIV-NSHDSACASA-N 438.839 4.244 5 20 IIBD O=C(OC[C@H]1CCCS(=O)(=O)C1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 791521219 RNBCSPQBRHEADM-CYBMUJFWSA-N 439.873 4.022 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1cc(I)c(F)cc1F 800145875 PWFJONHLWRHFNP-UHFFFAOYSA-N 436.127 4.177 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2nc(C3CCOCC3)cs2)CC1 804820404 IZQZRPSMEQQZEL-UHFFFAOYSA-N 430.530 4.434 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 809913498 MEPVVWUYKRKJDV-UHFFFAOYSA-N 426.864 4.445 5 20 IIBD COc1cc(Cc2noc(-c3cc(Cl)ncc3Br)n2)ccc1[N+](=O)[O-] 810303372 YDXOANKXGVDXNX-UHFFFAOYSA-N 425.626 4.055 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1cc2ccccc2s1 810362496 QENJZQWVPNOXIE-SNVBAGLBSA-N 448.298 4.388 5 20 IIBD Nc1c(Cl)cc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2nc[nH]n2)cc1Cl 822018529 CEKKQHYFQFLUIZ-UHFFFAOYSA-N 425.257 4.005 5 20 IIBD C[C@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)ccc1F 822598039 DEEOMZGEROBASX-LBPRGKRZSA-N 435.839 4.172 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N(C)[C@@H](C)C(C)(C)C)cc1 914431565 KMUWRUIQCOOQKR-HNNXBMFYSA-N 434.514 4.178 5 20 IIBD C[C@H](c1ccc(Cl)cc1)N(C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)C1CC1 914480858 VPGPFTNNHVBAKH-UKRRQHHQSA-N 445.878 4.492 5 20 IIBD CCOc1cc(NC(=O)NCc2nc3ccccc3n2CC)c([N+](=O)[O-])cc1OCC 915332525 LEZGDIYZFDKYND-UHFFFAOYSA-N 427.461 4.084 5 20 IIBD COc1cc([C@H](C)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1OC1CCCC1 916074906 RFPXNFVOYPEWIP-ZDUSSCGKSA-N 429.429 4.324 5 20 IIBD CC(C)c1ccc(N2C(=O)/C(=C\c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)NC2=S)cc1 920399230 RBSTUOKNDQYJFO-UDWIEESQSA-N 447.520 4.381 5 20 IIBD C[C@@H](Nc1ccc(C(=O)O[C@@H](C(=O)N(C)C)c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 920545346 QFZXPSDJUAYSIE-OPAMFIHVSA-N 448.479 4.149 5 20 IIBD Cc1ccccc1[C@H](C)NC(=O)[C@H](C)OC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 920780351 YUIAFFFRFJZMRN-SOUVJXGZSA-N 434.876 4.133 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCc2c1cccc2S(C)(=O)=O 1116508878 VZPJIBJFARJVIP-UHFFFAOYSA-N 434.539 4.093 5 20 IIBD Nc1c(C(=O)Nc2cc3c(cc2Cl)OCCCO3)cc(Br)cc1[N+](=O)[O-] 1256679798 LFAUPUDEIRRNER-UHFFFAOYSA-N 442.653 4.007 5 20 IIBD O=C(NCc1cc(Br)ccc1OC(F)F)N1Cc2ccc([N+](=O)[O-])cc2C1 1318956672 FFLOLGRJEIOLNE-UHFFFAOYSA-N 442.216 4.184 5 20 IIBD CC(C)(C)OC(=O)Nc1cc(NC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)ccc1F 1320002090 WYOVKPUPTYXSNX-UHFFFAOYSA-N 433.421 4.338 5 20 IIBD CNc1ccc(-c2nc([C@@H](NC(=O)OC(C)(C)C)c3ccccc3)no2)cc1[N+](=O)[O-] 1322830598 ALJNSKSNNWELLE-KRWDZBQOSA-N 425.445 4.301 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccc(C2(NC(=O)[C@@H]3C[C@]3(F)Cl)CCC2)cc1 1786208170 JRMPLHRKGYGAMS-ZITAYMCYSA-N 447.850 4.260 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)NC1(c2ccc(NC(=O)[C@H]3C[C@H]3F)cc2)CCC1 1790430884 VWLZIHPCNOOUIE-VQTJNVASSA-N 425.460 4.020 5 20 IIBD Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)C4=COCCC4)CCC3)cc2)cc1[N+](=O)[O-] 1790525338 PVZYOAUUXNBJDU-UHFFFAOYSA-N 449.507 4.274 5 20 IIBD CC1=CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CSc2ccccc2[N+](=O)[O-])C3)CC1 1797699372 UIOIBJFJNFZFAM-OKYOBFRVSA-N 443.569 4.072 5 20 IIBD CCC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)CCC1 1800040940 OFYLRQWABCBTGX-ACDBMABISA-N 439.556 4.235 5 20 IIBD Cc1cc(Cl)ccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc([N+](=O)[O-])c1 1800520723 SMZGRQCKZVQEOK-BCDXTJNWSA-N 445.878 4.261 5 20 IIBD COc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C3CC3)cc2)ccc1[N+](=O)[O-] 1800733213 DLFFPVPEMJFMGV-WKCHPHFGSA-N 449.507 4.046 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=CCCC2)[nH]n1 1821283402 OQALPBHSDWGVSR-GOSISDBHSA-N 441.463 4.182 5 20 IIBD CC[C@H](C)CC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1824275716 GRDQSPJDGPLEJY-HOUBKHITSA-N 431.533 4.257 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 9231029 GWXBUORGGPSBTO-UHFFFAOYSA-N 431.876 4.328 5 20 IIBD Cc1ccccc1-c1noc(COC(=O)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 9332810 PFNIKVPGUYJTRV-UHFFFAOYSA-N 436.346 4.127 5 20 IIBD Cc1ccc(NC(=O)COC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c(Br)c1 9870706 COGGOVGGWYLBIM-UHFFFAOYSA-N 448.273 4.036 5 20 IIBD COc1ccc(C(=O)OCC(=O)Nc2ccccc2Oc2ccc(C)cc2)cc1[N+](=O)[O-] 11359035 UNHGEANLYCOOML-UHFFFAOYSA-N 436.420 4.500 5 20 IIBD O=C(OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1c(Cl)ccc(Cl)c1Cl 16758391 KOWVDUDIPXZOBX-UHFFFAOYSA-N 429.643 4.301 5 20 IIBD O=C(COC(=O)c1csc(-c2cccc(Cl)c2)n1)Nc1cc([N+](=O)[O-])ccc1F 17980633 AWPYZSUTSUIYHI-UHFFFAOYSA-N 435.820 4.306 5 20 IIBD CCc1ccc(CN(C)C(=O)CSc2nc3cc4ccccc4cc3c(=O)n2C)cc1 19417840 QGXPQTQTFNQLGK-UHFFFAOYSA-N 431.561 4.400 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CSc3nnc(C4CC4)n3Cc3ccccc3)n2)c1 31842825 ANMYHPTYOXIJKM-UHFFFAOYSA-N 434.481 4.454 5 20 IIBD Cc1ccccc1C(C)(C)C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 58608553 ANBLKAIXLPWIDA-UHFFFAOYSA-N 445.522 4.109 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@H]2CCSc3ccc(F)cc32)ccc1[N+](=O)[O-] 110323753 ZAHNKSHOJLTQRV-HKUYNNGSSA-N 443.500 4.000 5 20 IIBD COc1ccc([C@H](C)NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1Br 216015430 BVEYEJQQTYFTFZ-JTQLQIEISA-N 442.697 4.309 5 20 IIBD O=C(NC[C@@H](Cc1ccc2ccccc2c1)C(=O)O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 238195943 FZNFJQHFKXZOHJ-OAQYLSRUSA-N 447.491 4.022 5 20 IIBD Cc1cc(Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])ccc1OC1CCOCC1 301345701 GQFVGBKVIFXRQH-UHFFFAOYSA-N 436.468 4.169 5 20 IIBD CCOc1cc(NC(=O)N2CCCC[C@@H]2c2nccn2CC)c([N+](=O)[O-])cc1OCC 431573669 CIGDTYXBFSJLAZ-MRXNPFEDSA-N 431.493 4.368 5 20 IIBD CC1(C)CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H](c2cccc(C(F)(F)F)c2)O1 433315222 AXJZNPBAPYEZGN-SFHVURJKSA-N 437.418 4.065 5 20 IIBD O=C([C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1CC=C(c2ccc(Cl)cc2)CC1 434260107 KEDLODDRNUNHRE-KRWDZBQOSA-N 445.928 4.230 5 20 IIBD Cc1c(CNC(=O)c2cc(Br)c(O)c(Br)c2)cccc1[N+](=O)[O-] 436888795 OXIZPJUSVIRREM-UHFFFAOYSA-N 444.079 4.064 5 20 IIBD O=C(NC[C@@H]1CCCN1C1CCCCC1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 437844021 NXFRUQUICUOUQU-SFHVURJKSA-N 439.506 4.486 5 20 IIBD COC(=O)c1cc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)cc([N+](=O)[O-])c1 438728621 YOZSIVOBCMPDQH-UHFFFAOYSA-N 439.660 4.142 5 20 IIBD O=C(Nc1ccc(CCC(F)(F)F)cc1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 439656209 QVGFLBZVUVUGES-CQSZACIVSA-N 441.431 4.395 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1c(F)cccc1F)C1CCCC1 439820155 ILNNOZJSXBPDTR-UHFFFAOYSA-N 447.438 4.182 5 20 IIBD C[C@@H](c1ccc(Cl)cc1)N1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 441381852 SHCKOFDSMRZZPP-HNNXBMFYSA-N 427.892 4.177 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCc1ncoc1-c1ccccc1 442729952 PMRHYSJEQSXXJH-UHFFFAOYSA-N 442.497 4.037 5 20 IIBD C[C@H](NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1ccc([S@@](C)=O)cc1 444233514 BCBKECUALYURTM-ZDUYTPDQSA-N 440.471 4.188 5 20 IIBD O=C(Cc1noc(/C=C\c2ccc(F)cc2[N+](=O)[O-])n1)Nc1ccccc1C(F)(F)F 445423527 LHOXVPFBBICDEK-VURMDHGXSA-N 436.321 4.487 5 20 IIBD COc1nc(C)c(Br)cc1-c1noc(C(F)(F)c2ccc([N+](=O)[O-])cc2)n1 446001799 LXMXQDPKHCAOEQ-UHFFFAOYSA-N 441.188 4.259 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@H](C)c2ccc(Br)cc2)c(C)c([N+](=O)[O-])c1 446260240 LAWNZHVHCUSGTF-LLVKDONJSA-N 436.262 4.335 5 20 IIBD COc1cc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)ccc1OCC(F)(F)F 447536865 QRSINFVBRBFQRX-LSDHHAIUSA-N 428.411 4.015 5 20 IIBD CC[C@@H](C)N(C(=O)c1cc([N+](=O)[O-])cc(Br)c1C)c1ccc(C(N)=O)cc1 463594297 HMQIGWONBPHOQJ-LLVKDONJSA-N 434.290 4.210 5 20 IIBD Cc1ccc(-c2nc(CNC(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)co2)cc1 465187902 SGSODZAIBPTSQH-UHFFFAOYSA-N 445.479 4.350 5 20 IIBD COc1cc(C(=O)NCC2(c3cc(F)cc(C(F)(F)F)c3)CC2)cc([N+](=O)[O-])c1OC 468064978 LKBWBHPRYUAVLB-UHFFFAOYSA-N 442.365 4.232 5 20 IIBD Cc1ccc(C(=O)N(Cc2cccc(Br)c2)C2CCOCC2)cc1[N+](=O)[O-] 468150963 VJIYCRQYMIRHHP-UHFFFAOYSA-N 433.302 4.487 5 20 IIBD CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N[C@@H]1C[C@H](C(C)C)c2ccccc21 469013072 OUPKUVGLCUHXOJ-FGTMMUONSA-N 445.541 4.040 5 20 IIBD Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 469255838 INJAZKTZSAGGQH-ROUUACIJSA-N 438.528 4.406 5 20 IIBD C[C@@H]1OCC[C@@]12CN(C(=O)c1cccc(Sc3ccc(Cl)cc3)c1[N+](=O)[O-])CCO2 470669532 KSCHPXVKMJSTRV-LHSJRXKWSA-N 448.928 4.419 5 20 IIBD CCOC(=O)c1cc(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)cn1C 471241418 CULOTQNOBLJGBV-UHFFFAOYSA-N 446.510 4.278 5 20 IIBD Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 471862328 RNCIQNVRYXPROD-SFHVURJKSA-N 434.500 4.063 5 20 IIBD CCOC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1cccc(C)c1C 472120512 REOIZUSEOBKPQD-KRWDZBQOSA-N 435.274 4.008 5 20 IIBD Cc1ccc([C@H](C)NC(=O)c2ccc(=O)n(Cc3csc(C(C)C)n3)c2)cc1[N+](=O)[O-] 472330654 VVYWQKSGZRDCRP-HNNXBMFYSA-N 440.525 4.184 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@H](c2ccc(F)cc2Cl)C1 477178608 VBGRANSEULVARI-KRWDZBQOSA-N 428.247 4.324 5 20 IIBD CCOc1cc(N2CCN(C(=O)[C@@H]3CCC[C@@H](C(F)(F)F)C3)CC2)ccc1[N+](=O)[O-] 477380437 XYSOWRBWXOXCFQ-HUUCEWRRSA-N 429.439 4.011 5 20 IIBD COc1cc(C(=O)NCc2nc(-c3cc4ccccc4o3)cs2)cc([N+](=O)[O-])c1OC 478042555 AESIMKWCZAMETF-UHFFFAOYSA-N 439.449 4.412 5 20 IIBD CCOc1ccccc1Oc1ccc(CNC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)cn1 478689204 RXIRJFZATWOSKB-UHFFFAOYSA-N 437.452 4.428 5 20 IIBD COc1cc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc([N+](=O)[O-])c1C 478752883 HQNQOZNJGZUPCB-UHFFFAOYSA-N 438.509 4.179 5 20 IIBD CCn1c(SCC(=O)N2c3ccccc3CC[C@@H]2C)nnc1-c1ccc([N+](=O)[O-])cc1 481337253 KNCQSIRBCMJHDQ-HNNXBMFYSA-N 437.525 4.333 5 20 IIBD CCOC(=O)CN(C(=O)c1cccc([N+](=O)[O-])c1OC)c1cc(Cl)cc(Cl)c1 483853962 VFBKLFAIYMGHHO-UHFFFAOYSA-N 427.240 4.120 5 20 IIBD CC(C)n1cc2c(n1)C[C@@H](NC(=O)c1cc(OCc3ccccc3)ccc1[N+](=O)[O-])CC2 485717767 HPFJPLPREBMCGU-IBGZPJMESA-N 434.496 4.239 5 20 IIBD COc1cc(C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CCC3)c([N+](=O)[O-])cc1OC 485884509 VMMSJTLNTXLEEC-UHFFFAOYSA-N 442.859 4.192 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCC(=O)O)c2ccccc12 486059216 MPWHTRDGKXASLI-ZDUSSCGKSA-N 426.450 4.331 5 20 IIBD CC[C@@H](NC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C)c1ncc(-c2ccccc2)[nH]1 486863388 CVSYZJKXNYZLPN-MRXNPFEDSA-N 437.456 4.353 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)c(C)c([N+](=O)[O-])c1 489752548 FEEUCSPLWUQWCB-UHFFFAOYSA-N 437.408 4.096 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 490009592 JYEWMSDUIISWAC-FQEVSTJZSA-N 443.569 4.070 5 20 IIBD O=C(Nc1ccc2nc(C(F)F)sc2c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 490661817 KZUYBPIMMIWNDI-UHFFFAOYSA-N 433.440 4.496 5 20 IIBD Cc1c(C(=O)N[C@@H](C)c2ccc(-c3ccncc3)cc2)nnn1-c1cccc([N+](=O)[O-])c1 491116817 KLADDMKGVRHLGZ-HNNXBMFYSA-N 428.452 4.037 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1[N+](=O)[O-] 493233398 DSYZVBXCSNGYPB-AWEZNQCLSA-N 445.907 4.073 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(OC)c(OCC(F)(F)F)c2)c([N+](=O)[O-])cc1OC 497418716 RPSRYGOBLDMDIA-UHFFFAOYSA-N 444.362 4.204 5 20 IIBD Cc1c(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)nnn1-c1ccc(F)c(Cl)c1 498150354 WBKLNEXOSJEWPT-IBGZPJMESA-N 447.879 4.164 5 20 IIBD CCC[C@@H]1CCc2nc(NC(=O)c3cc(OC)c(OCCOC)cc3[N+](=O)[O-])sc2C1 500328385 LKOKHTWLTMHAPS-CYBMUJFWSA-N 449.529 4.242 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1nc2ccccc2n1C1CCCCC1 501870162 LKGJKBFFRVEPAL-UHFFFAOYSA-N 435.484 4.208 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NC[C@@H](c2cccs2)N(C)C)cc1[N+](=O)[O-])c1ccccn1 505997019 RKNFAGFPONLCQE-QRWLVFNGSA-N 439.541 4.257 5 20 IIBD COc1cccc(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1OC 506927075 GZQMCZIXFBNXGC-HNNXBMFYSA-N 436.468 4.110 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)Cc1cc(F)cc(F)c1 511324693 RLRIZJDEFLEFAS-UHFFFAOYSA-N 446.191 4.058 5 20 IIBD O=[N+]([O-])c1ccc(NCc2ccccc2S(=O)(=O)N2CCCCC2)c(C(F)(F)F)c1 511685817 DJBBEAPSUZYQJY-UHFFFAOYSA-N 443.447 4.400 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)c2ccc(Br)cc2Cl)c1C 511702502 WZJWZGHUHAMARM-UHFFFAOYSA-N 433.711 4.453 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)c([N+](=O)[O-])c1 511724905 YZQCMUHVUHUBAL-UHFFFAOYSA-N 435.845 4.245 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)Nc2ccccc2OC[C@@H]2CCCCO2)cc1[N+](=O)[O-] 511732875 BNAYBXCFXDJETQ-AWEZNQCLSA-N 440.905 4.305 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CC[C@@H](n4ncc5ccccc54)C3)cc2[N+](=O)[O-])CC1 511742148 MGAGRBRXYIXGJG-HXUWFJFHSA-N 433.512 4.268 5 20 IIBD CCOc1ccc(C2=CCN(C(=O)c3cc(OC)c(OCC)cc3[N+](=O)[O-])CC2)cc1 512128444 FBXJQMPKBBWKDJ-UHFFFAOYSA-N 426.469 4.330 5 20 IIBD COc1ccc([C@H](C)NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1Br 512473929 GZWCGRKWRFZIKQ-NSHDSACASA-N 425.304 4.335 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC(F)F)cc1F 512479015 JOEIRRXRLGMXKR-UHFFFAOYSA-N 444.387 4.243 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 512999735 UIUYWTPECAANTE-LRDDRELGSA-N 445.324 4.348 5 20 IIBD C[C@H](N[C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccc(OCC(=O)NC2CC2)cc1 513785679 RAQRJWZZBAWDOM-WCAVRKLYSA-N 437.540 4.314 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cccc(COc2cccc(F)c2)c1)c1cccc([N+](=O)[O-])c1 516047256 ATERUVPWUZRRFA-HNNXBMFYSA-N 437.427 4.129 5 20 IIBD O=C(NC1(c2cccc(Br)c2)CCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 519071785 BOPCRALKSYIILL-UHFFFAOYSA-N 441.285 4.352 5 20 IIBD COc1ccc(COCc2cccc(NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc34)c2)cc1 520015977 XFONLCYACQQQAK-UHFFFAOYSA-N 432.436 4.449 5 20 IIBD O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1cc(F)cc([N+](=O)[O-])c1 520224060 KITGQUYNKNAVFK-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H](O)COc3ccccc3)o2)c(Br)c1 521822804 RLVVFBWXJJHEJJ-OAHLLOKOSA-N 447.285 4.147 5 20 IIBD Cc1cc(-c2nnco2)ccc1NCc1cc(I)cc([N+](=O)[O-])c1 522038189 SOZBSTNMNZRKMD-UHFFFAOYSA-N 436.209 4.170 5 20 IIBD CC(C)(C)c1ccc(OCCCC(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 522856861 YLHYXOGPGYVDMT-SFHVURJKSA-N 426.517 4.159 5 20 IIBD COc1ccc(CC[C@@H]2CCCCN2C(=O)CCOc2ccccc2[N+](=O)[O-])cc1OC 523172948 APBUNYCWCWVYBN-IBGZPJMESA-N 442.512 4.395 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCCc2csc3ccccc23)ccc1[N+](=O)[O-] 523275625 FIEWJSMXEUXJPH-FQEVSTJZSA-N 437.521 4.081 5 20 IIBD Cc1ccc(C[C@H](NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c2ccccn2)cc1 523774405 BYKSFCAWBSZMKX-QFIPXVFZSA-N 445.523 4.114 5 20 IIBD CCCN1CCC(NC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 524164179 OYFIRWPCRXMBJI-UHFFFAOYSA-N 441.553 4.152 5 20 IIBD COCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H](C)c1ccccc1 532934014 VUMUEZWBAHCRQJ-CQSZACIVSA-N 436.306 4.005 5 20 IIBD CC(C)c1ccc([C@]2(C)NC(=O)N(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2=O)cc1 534032737 FTFWLEIDZKHYTH-QHCPKHFHSA-N 434.452 4.340 5 20 IIBD COc1ccc(C[C@@H](C)CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 536238788 MFUSQQVBRYQVSL-CYBMUJFWSA-N 426.391 4.153 5 20 IIBD CCc1onc(C)c1NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 536280448 LWPNRLQQYVNIIB-UHFFFAOYSA-N 426.395 4.328 5 20 IIBD COCCn1ccc2ccc(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])cc21 538864365 WJJGQWBFESVSOX-UHFFFAOYSA-N 437.374 4.389 5 20 IIBD CC[C@H](CSc1ccccc1[N+](=O)[O-])Nc1cccc(N2CCC(C(N)=O)CC2)c1 540836476 FQOZOIYUUMANPF-QGZVFWFLSA-N 428.558 4.279 5 20 IIBD O=[N+]([O-])c1ccc(/C=C\c2nc(O)c3cnn(-c4cccc(Br)c4)c3n2)s1 542004222 HFSMTGAFDLYIDW-XQRVVYSFSA-N 444.270 4.424 5 20 IIBD CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 542552463 XXRKNGYLNOICKU-IAGOWNOFSA-N 433.574 4.254 5 20 IIBD O=C(NCCCc1nc(-c2ccc(F)cc2)no1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 543130778 ZABSVQDTKWXQSP-UHFFFAOYSA-N 438.337 4.165 5 20 IIBD CN(c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])[C@H]1CCO[C@H](c2ccc(F)cc2)C1 543484136 SCYMYQCVKUFCCD-RXVVDRJESA-N 438.459 4.055 5 20 IIBD C[C@@H](C(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1)c1ccc([N+](=O)[O-])cc1F 543533349 JTSZZYNYSLMVJU-HIFRSBDPSA-N 442.422 4.433 5 20 IIBD C[C@H]1CCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)c2c(O)cccc21 545246617 IDZPASCHHXKOQL-JTQLQIEISA-N 438.221 4.059 5 20 IIBD Cc1ccnc(Oc2cc(NC(=O)C(=O)N(C)CCc3cccc([N+](=O)[O-])c3)ccc2C)c1 549345391 XAYFJHPCCWUJTA-UHFFFAOYSA-N 448.479 4.039 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] 551767982 IQSCALNPAIXKER-XLIONFOSSA-N 443.475 4.006 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 552680089 FCQOCXQPXYNZPS-UZUQRXQVSA-N 443.931 4.140 5 20 IIBD CN(Cc1ccco1)Cc1ccccc1CN[C@@H](c1ccc([N+](=O)[O-])cc1)c1nccn1C 556867643 HLTUPSQCBCMTDS-DEOSSOPVSA-N 445.523 4.433 5 20 IIBD Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2I)c2c1NCCC2 557039683 BYWFUHVTVOGLJK-UHFFFAOYSA-N 437.237 4.118 5 20 IIBD CCC(CC)(CNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)OC 560726728 LOKJBPYUKNBTCB-UHFFFAOYSA-N 436.512 4.311 5 20 IIBD CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)c2cc3ccccc3c3cccnc23)s1 561455646 JLAJBLVTCKQIRZ-ZIAGYGMSSA-N 433.537 4.195 5 20 IIBD CCC[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1CC)C(=O)N1CCc2sccc2C1 570861644 NRHWYOMYVOAELH-KRWDZBQOSA-N 430.530 4.094 5 20 IIBD CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn23)C1 573589468 HUFJZAORMRCNJL-ZDUSSCGKSA-N 433.390 4.243 5 20 IIBD CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)[C@H]2C1 576831153 OSPZCWIETGMBSH-ORYQWCPZSA-N 439.537 4.123 5 20 IIBD C[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccc(Oc2cccnc2)cc1 578931195 WIHDEPAJSFYBFP-INIZCTEOSA-N 429.436 4.459 5 20 IIBD CCOC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)c(F)cc1C 585751124 WFZNIXYHCQTJRV-UHFFFAOYSA-N 436.461 4.210 5 20 IIBD COCCOc1c(Cl)cc(S(=O)(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1Cl 588838238 JDMHVVMBVZZBDQ-UHFFFAOYSA-N 435.285 4.036 5 20 IIBD Cc1cc(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)n(-c2ccc([N+](=O)[O-])cc2)n1 590771426 WTTZDRDWLKZWGX-UHFFFAOYSA-N 428.452 4.016 5 20 IIBD COc1ccc(C2=NN(C(=O)CNc3cc([N+](=O)[O-])ccc3C)[C@@H](c3ccco3)C2)cc1 603471957 XCPMFMJGQMBSAA-OAQYLSRUSA-N 434.452 4.295 5 20 IIBD COc1cc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1OC(C)C 604030586 PXPPOEGKAZXEAW-GFCCVEGCSA-N 428.894 4.084 5 20 IIBD Cc1nn(CCC(=O)NCc2nc(-c3ccc(Cl)cc3)c(C)s2)c(C)c1[N+](=O)[O-] 608812272 JAAVGDAUARTDTE-UHFFFAOYSA-N 433.921 4.200 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(F)cc2C(F)(F)F)cc1[N+](=O)[O-] 609065227 IRZCNDWRGFRLAG-UHFFFAOYSA-N 441.366 4.285 5 20 IIBD COc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1NC(=O)C1CCCCC1 609700725 MNYTUYULLFIZMY-UHFFFAOYSA-N 447.513 4.231 5 20 IIBD Cc1ccc(NCCCNC(=O)Nc2ccc(N3CCSCC3)cc2C)c([N+](=O)[O-])c1 610094962 WDCQVXYVIIBTPU-UHFFFAOYSA-N 443.573 4.389 5 20 IIBD Cc1ccc(NC(=O)[C@@H]2CCc3ccccc3N2C(=O)Cc2cccc([N+](=O)[O-])c2)cc1 610226563 OAWVBYOMXPQFCH-QHCPKHFHSA-N 429.476 4.432 5 20 IIBD O=C(c1ccc(N2CCOCC2)c(F)c1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 610365329 RIYRAMIDLDZKCJ-UHFFFAOYSA-N 435.455 4.418 5 20 IIBD CC[C@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1)c1cccc([N+](=O)[O-])c1 610556067 BTHZMUZBBWBLAU-LEWJYISDSA-N 433.464 4.022 5 20 IIBD O=C1CN(CN(Cc2ccc(F)cc2)C2CCCCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 726585142 RMTHPZSPYGPXEM-UHFFFAOYSA-N 440.475 4.295 5 20 IIBD O=C(c1ccnc2ccccc12)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727329208 PQVKLUYGRBUARZ-UHFFFAOYSA-N 430.386 4.124 5 20 IIBD O=C(NC[C@@H](c1ccccc1)N1CCc2sccc2C1)c1cc(F)c(F)cc1[N+](=O)[O-] 727708721 DZUNQWWQZLKCSB-FQEVSTJZSA-N 443.475 4.464 5 20 IIBD Cc1ccc(-c2csc(NC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)n2)cc1[N+](=O)[O-] 730166779 SLMQBZLQQCZVRG-AWEZNQCLSA-N 440.456 4.157 5 20 IIBD O=[N+]([O-])c1ccc2cnn(Cc3nc(-c4cccc(OCc5cccnc5)c4)no3)c2c1 731804597 YOKPGPJJFFJXBM-UHFFFAOYSA-N 428.408 4.017 5 20 IIBD Cc1sc2nc([C@H](C)OC(=O)c3cc(O)nc4ccc([N+](=O)[O-])cc34)nc(O)c2c1C 735352821 OSMNNINXSZSATH-VIFPVBQESA-N 440.437 4.094 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1c2ccccc2N(C(=O)OC(C)(C)C)C[C@@H]1C 743344955 DIIJMKSXYGHQBE-HNNXBMFYSA-N 447.513 4.242 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)C2(c3cccc(Cl)c3)CCC2)c([N+](=O)[O-])c1 744537439 ROIOGFACPXAFCS-ZDUSSCGKSA-N 432.860 4.249 5 20 IIBD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1NC(=O)CC(C)C 745298856 YNDQVRXBYOAQRX-MRXNPFEDSA-N 441.484 4.380 5 20 IIBD CC(C)Oc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c(F)c1 748052318 NFRDYHSRNPWEQI-UHFFFAOYSA-N 433.255 4.084 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Oc1ccc(N(C)C(=O)OC(C)(C)C)cc1 748646292 KMSBJJSUSHGZRM-UHFFFAOYSA-N 436.486 4.351 5 20 IIBD COc1ccc(Br)cc1[C@H]1CCCN1Cn1nc(C)c2cc([N+](=O)[O-])cnc21 749947238 ORDDJRMMQOIESY-QGZVFWFLSA-N 446.305 4.214 5 20 IIBD C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 750835478 VNWIEMMUIMKXIS-INIZCTEOSA-N 446.548 4.033 5 20 IIBD C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)[C@H](O)c1ccc(F)cc1 750925347 WIKDGJIHADYABE-AYVTZFPOSA-N 431.645 4.002 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccccc1 751073534 UZSZYEUEHJYMNQ-QGZVFWFLSA-N 435.274 4.170 5 20 IIBD CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)c1ccccc1OC 751083663 UHQQPKMNCBYFTE-HNNXBMFYSA-N 440.237 4.089 5 20 IIBD CC(C)(C)Oc1ccncc1NC(=O)c1cc([N+](=O)[O-])ccc1I 752460678 LOWOAXYPISBCPL-UHFFFAOYSA-N 441.225 4.024 5 20 IIBD COc1ccc(-c2noc(COC(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)n2)cc1 753430142 NVJWJSBFDRBPNI-UHFFFAOYSA-N 448.229 4.081 5 20 IIBD C[C@@H](OC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccccc1OC(F)F 755058789 BMFOWCBSELMJBV-GHMZBOCLSA-N 426.347 4.009 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)cc1[N+](=O)[O-] 755416715 VBUHSGQZWQNQFS-KXBFYZLASA-N 427.526 4.464 5 20 IIBD COc1ccc(CCC(C)=O)cc1OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 755999333 FWBPFAKCMZYNGW-UHFFFAOYSA-N 426.450 4.468 5 20 IIBD COc1cc(S(=O)(=O)N2CCC[C@H]2c2ccccc2C(F)(F)F)ccc1[N+](=O)[O-] 759257826 DFGGFUZXBXBGNI-HNNXBMFYSA-N 430.404 4.148 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@H](c1cccnc1)c1cccc(C(F)(F)F)c1 759593529 GKAWXGIJNIAATA-IBGZPJMESA-N 434.374 4.236 5 20 IIBD Cc1c(C(=O)Nc2cc(Br)cc(Cl)c2O)cc([N+](=O)[O-])cc1[N+](=O)[O-] 762328058 LQASMNVVMHQEJD-UHFFFAOYSA-N 430.598 4.185 5 20 IIBD C[C@@H]1CN(c2ccc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)cc2F)C[C@@H](C)O1 762445613 VQZAKPJSBZWZME-ZIAGYGMSSA-N 433.455 4.403 5 20 IIBD CC[C@@H](C)n1ncc(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c1C1CC1 762477569 VHGMFNGQDBRYSA-SNVBAGLBSA-N 443.323 4.203 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(CC[C@@H](O)c2ccccc2)cc1 762996841 CZKDTWNIHGPLQO-HSZRJFAPSA-N 430.464 4.249 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1ncc(Cl)cc1Cl 763807255 VHXRCMUPIAWSHW-UHFFFAOYSA-N 430.269 4.204 5 20 IIBD O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 764180286 HALYHRLBMPEYMD-UHFFFAOYSA-N 442.686 4.153 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@@H]2c2cccc(F)c2)ccc1Br 765170395 OCDBQHRERIWRGI-OAHLLOKOSA-N 429.267 4.022 5 20 IIBD C[C@@H](Cc1ccc(Br)cc1)C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 766237425 MFTAKNJIWIGJPQ-LBPRGKRZSA-N 446.257 4.329 5 20 IIBD Cc1onc(-c2ccccn2)c1C(=O)OCCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 766327205 USTONNTZSMKXOR-UHFFFAOYSA-N 437.330 4.208 5 20 IIBD CCS[C@@H](C)c1noc(COC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)n1 767239075 BAMGRLQVOPGFRO-AWEZNQCLSA-N 434.518 4.385 5 20 IIBD CC(C)OC(=O)C[C@@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 768490925 NLOPWDVCVBTPOL-NSHDSACASA-N 447.713 4.205 5 20 IIBD C[C@@H](OC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 769674578 YAHJMIHIVHEHTJ-SNVBAGLBSA-N 437.235 4.473 5 20 IIBD CCc1nn(C)cc1C(=O)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 771156249 BGOJLCSMVRNYRQ-LJQANCHMSA-N 442.859 4.081 5 20 IIBD Cc1cc(S(=O)(=O)Oc2ccccc2C(=O)Nc2ccccc2)cc([N+](=O)[O-])c1F 771727168 ZEUBEFUOQCCHJN-UHFFFAOYSA-N 430.413 4.062 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 775483368 JWCVTBHAWXQQPP-OAHLLOKOSA-N 437.562 4.472 5 20 IIBD CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc([N+](=O)[O-])cc2F)NC(=O)N1C1CC1 777945171 YKZJQEMLSGCOCF-IBGZPJMESA-N 428.395 4.014 5 20 IIBD C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)OCc1ccc([N+](=O)[O-])cc1Cl 778092864 CMDWZRDDBWFRQE-LLVKDONJSA-N 426.853 4.191 5 20 IIBD Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1cc([N+](=O)[O-])c2nsnc2c1 778241262 GVUJKLCQKWTCQM-UHFFFAOYSA-N 439.497 4.223 5 20 IIBD CC(C)n1cc2c(n1)[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)CCC2 780424297 XXBZUCLSMOHMPF-ZDUSSCGKSA-N 425.258 4.081 5 20 IIBD O=C(Nc1ccc(OC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cc1)c1ccsc1 781964449 IRLTZJRYLDRHEY-IBGZPJMESA-N 437.433 4.007 5 20 IIBD CN(C)c1ccc(N(Cc2ccc[nH]2)C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 782026707 UNNMNKRMTATYGA-UHFFFAOYSA-N 437.456 4.063 5 20 IIBD CCN(C(=O)c1cc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])ccc1Cl)C(C)C 782525890 FMTBODOLLRMVKY-UHFFFAOYSA-N 443.884 4.059 5 20 IIBD O=C(Nc1sccc1C(=O)NC1CC1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 782887931 XJKSRXQCRNNKJI-UHFFFAOYSA-N 437.477 4.380 5 20 IIBD CCc1sc(-c2nnc(COC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)o2)cc1C 782983993 BULVHTXXPWYSLC-UHFFFAOYSA-N 432.414 4.151 5 20 IIBD COc1ccc2cc([C@@H](C)OC(=O)CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])ccc2c1 783578085 VKSIPYCYNXQBFB-CYBMUJFWSA-N 442.855 4.444 5 20 IIBD CC(C)c1ccc(C(=O)N2C[C@@H]3[C@@H](CCC[C@H]3NC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] 784152415 FNZKLGQHKXXOLU-QXAKKESOSA-N 431.533 4.484 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2c(F)ccc(Br)c2F)cccc1[N+](=O)[O-] 785215658 WTGWTPJYONNQFJ-SECBINFHSA-N 443.200 4.128 5 20 IIBD CC[C@H](c1ccncc1)N(C)C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 787808580 IAMMPRBTWRDAOE-CQSZACIVSA-N 440.241 4.209 5 20 IIBD O=C(c1ccc(F)cc1)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 790147545 LHBFDIRMATYDGH-UHFFFAOYSA-N 425.460 4.069 5 20 IIBD CN(Cc1ccccc1NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)c1ccccc1 790166394 YRJBEHCIZASEEO-HSZRJFAPSA-N 430.464 4.363 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 790208385 LMJOHRIHHBJQFZ-SJLPKXTDSA-N 425.485 4.340 5 20 IIBD CN(Cc1ccc(Br)cc1Cl)Cn1cc(Br)c([N+](=O)[O-])n1 790469573 GWGWXMGMIGWUHA-UHFFFAOYSA-N 438.507 4.059 5 20 IIBD CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 791143304 SNNSVZPSBYNDKL-AEFFLSMTSA-N 447.677 4.353 5 20 IIBD COc1cc(C(=O)OCC(=O)Nc2ccc(SC(F)F)cc2)cc([N+](=O)[O-])c1C 791694289 UJELBYOZPNXTHO-UHFFFAOYSA-N 426.397 4.022 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H]2CN(Cc3ccc(Br)c([N+](=O)[O-])c3)CC[C@H]21 795132053 OSKQVUSRZKKPFW-GOEBONIOSA-N 440.338 4.189 5 20 IIBD COc1ccc(CCS(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)cc1 800785363 PCHWYYIQQRPXLC-UHFFFAOYSA-N 433.511 4.020 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 801870523 YWBBHVVRRCBZCV-LBPRGKRZSA-N 445.838 4.039 5 20 IIBD O=C(Nc1ccccc1C(=O)Nc1cc2ccccn2n1)c1ccc([N+](=O)[O-])cc1Cl 804378328 LWURKUVQQGGUCW-UHFFFAOYSA-N 435.827 4.401 5 20 IIBD CC(C)(C)OC(=O)NC[C@H](c1ccc(F)cc1)c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 809235039 CPUZKPHFBYXFIM-OAHLLOKOSA-N 443.435 4.023 5 20 IIBD CC(C)(NC(=O)C(F)(F)F)c1nc(-c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)no1 809435543 ZVBDENCHDHWEPP-UHFFFAOYSA-N 436.346 4.351 5 20 IIBD CC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 811375729 GUHWMTBTBDIIST-VIFPVBQESA-N 425.224 4.288 5 20 IIBD C[C@@H](OC(=O)c1c[nH]nc1-c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 811618995 MCRKUMUUDZUOBM-LLVKDONJSA-N 448.357 4.188 5 20 IIBD O=C(COC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 812594453 LHTRNNQSOIMBEH-UHFFFAOYSA-N 438.177 4.477 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C(=O)Nc1cccc(Cl)c1Cl 814483672 WHCWLPONDONUIW-SECBINFHSA-N 444.246 4.291 5 20 IIBD Nc1ccc(NC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)cc1[N+](=O)[O-] 819909727 GMVKRMNVXJNGPK-RDPSFJRHSA-N 444.491 4.296 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2[C@H](O)C(F)(F)F)c(Cl)cc1Cl 821190541 AQVWWIXLEDGFBJ-ZDUSSCGKSA-N 445.202 4.298 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@@H](C)c1ccc(Cl)cc1 857760838 QNSXQZKKDQBLIC-SCLBCKFNSA-N 436.917 4.404 5 20 IIBD CC(C)(C)OC(=O)c1cccc(CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])c1 864011636 NQHGCXZASDDRJT-UHFFFAOYSA-N 442.440 4.159 5 20 IIBD C[C@H](OC(=O)c1cc(Cl)ccc1Br)C(=O)Nc1ccc([N+](=O)[O-])cc1 913345544 ZEQHDWOIWSQRLK-VIFPVBQESA-N 427.638 4.195 5 20 IIBD CCCN(C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)[C@@H]1CCc2ccccc21 914511769 BAWDSPQJUKGWMK-OXJNMPFZSA-N 425.460 4.013 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(-n3cnc4ccccc43)nc2)cc1[N+](=O)[O-] 914723197 JDRUKQFFSWKARW-UHFFFAOYSA-N 449.492 4.209 5 20 IIBD C[C@H](OC(=O)CCOc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 914960836 WNHIKVFILGTFIQ-NSHDSACASA-N 427.240 4.241 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] 915181562 WZZXKWCBAHHWOT-KBPBESRZSA-N 440.456 4.182 5 20 IIBD CCc1ncncc1C(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 916036669 PZXNRYXWKVHDQJ-UHFFFAOYSA-N 426.816 4.072 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NCc2cccnc2Oc2cccc(F)c2)c1[N+](=O)[O-] 917064419 SPZUELNFADIJIR-UHFFFAOYSA-N 428.376 4.242 5 20 IIBD COc1cc(/C=C2\N=C(c3ccoc3C)OC2=O)c([N+](=O)[O-])cc1OCc1ccccc1 917414458 HFKGAZQJHWRDGL-ZDLGFXPLSA-N 434.404 4.428 5 20 IIBD Cc1ccc(C(=O)Nc2cccc(CNC(=O)c3cc([N+](=O)[O-])ccc3N(C)C)c2)cc1 917790088 AKQGTPAHUUWSFM-UHFFFAOYSA-N 432.480 4.152 5 20 IIBD Cc1ccsc1CNC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 919192818 ODTNBXXCDNIUSY-UHFFFAOYSA-N 426.450 4.230 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2cc3c(nc2O)CCC3)c2ccccc2)c([N+](=O)[O-])c1 919305133 MCUXIBCDKMDLOM-OAQYLSRUSA-N 447.447 4.029 5 20 IIBD CC1(C)CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])[C@H]1c1ccccc1 919928623 RPYOBBDRNPCYKH-INIZCTEOSA-N 425.304 4.129 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cc2c(OC(F)(F)F)cccc2[nH]1 1318252577 IPLBFKQPAJZBQY-UHFFFAOYSA-N 432.318 4.012 5 20 IIBD COc1ccc(Cl)cc1CCNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl 1318539999 BIMMTDMQGCYPQD-UHFFFAOYSA-N 435.267 4.111 5 20 IIBD CCOc1ccc(CN(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1OC 1322085617 ZEQQKQQNXKISSZ-UHFFFAOYSA-N 449.312 4.130 5 20 IIBD CC(C)(C)c1ccc(OCc2nnc(-c3cc([N+](=O)[O-])ccc3N3CCOCC3)o2)cc1 1326107006 HYLUNVAJTQEAAW-UHFFFAOYSA-N 438.484 4.358 5 20 IIBD COc1ccc(NC(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)c([N+](=O)[O-])c1 1345368706 DIPSMJPBCIQGKL-ZDUSSCGKSA-N 449.305 4.014 5 20 IIBD C[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 1793081109 RVECZNCTUNZFCA-MRFPZENKSA-N 447.963 4.255 5 20 IIBD Cc1occc1C(=O)N1CCCC2(CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])CC2)C1 1808317170 CRVSIOBXQRDAAS-BQYQJAHWSA-N 437.496 4.054 5 20 IIBD O=C(C1CC2(CCC2)C1)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823616163 PLDOFQOOHTZXJL-GOSISDBHSA-N 429.517 4.001 5 20 IIBD Cc1cccc(CC(=O)N2CC3(CCCN3C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C2)c1 1845738742 SVZRGXJRXJCRGT-UHFFFAOYSA-N 449.532 4.178 5 20 IIBD Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)Nc1ccc(F)cc1 855893 HCCPCLAZIAKXSB-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD Cc1ccc(C)c(NC(=O)[C@@H](C)OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 10723285 IIHSCKWYLAHMBK-GOSISDBHSA-N 428.488 4.342 5 20 IIBD COc1ccccc1N(C(C)=O)c1nc(COC(=O)c2ccc(C)c([N+](=O)[O-])c2)cs1 24175316 FHSBUUCVMLVOOF-UHFFFAOYSA-N 441.465 4.410 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 30181424 QSTNYKJDYBXRKP-UHFFFAOYSA-N 431.514 4.482 5 20 IIBD CCOc1ccc([C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)c2ccccc2)cc1 32436018 UXSMFHDQJPKIBS-QFIPXVFZSA-N 442.493 4.070 5 20 IIBD Cc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1C 36802389 FSELUTYRAMPOAN-GFCCVEGCSA-N 431.905 4.471 5 20 IIBD COc1ccc(COc2cccc(F)c2)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 63613751 SKCOJRMYVCFIRL-UHFFFAOYSA-N 426.400 4.339 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc2c(cc1Cl)OCCCO2 64420031 FMAPQGIGNVMNCL-JTQLQIEISA-N 427.240 4.469 5 20 IIBD CC(C)c1ccc(CN2CCN(C(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CC2)cc1 64695275 KEKIECKJFOHQFT-UHFFFAOYSA-N 447.539 4.077 5 20 IIBD CCOc1cc(CN(C)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)ccc1OC(F)F 107789300 PMPHVYUSKHTXIB-UHFFFAOYSA-N 446.410 4.053 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 195568405 FHFDIGIUCRIILQ-UHFFFAOYSA-N 425.438 4.030 5 20 IIBD O=C(COC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 212300303 VULLZMUNQQXCNP-BAQGIRSFSA-N 428.750 4.462 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(-n2nc(C)cc2C)cc1C(F)(F)F 302943722 ATXCIIZRNBDVDI-UHFFFAOYSA-N 448.401 4.355 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N[C@@H]1CCCC12CCOCC2 409675668 LKUGAUXKCIFDAC-HXUWFJFHSA-N 431.514 4.157 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1 429692644 VGCHMYJSNFRKFV-UHFFFAOYSA-N 449.389 4.402 5 20 IIBD O=C(Nc1ccccc1CN1CCSCC1)c1ccc(Br)cc1[N+](=O)[O-] 429858287 ICIHWBYXBJUYII-UHFFFAOYSA-N 436.331 4.158 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)N1CCC[C@@H]1CCO 430064226 ZBMGPFCLRVFFSE-CQSZACIVSA-N 437.855 4.236 5 20 IIBD CC(C)c1[nH]nc(C(=O)N[C@@H]2c3cc(Br)ccc3SC[C@@H]2C)c1[N+](=O)[O-] 433772425 CRYOIRAXSCBOPE-XPTSAGLGSA-N 439.335 4.417 5 20 IIBD C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCc2ccccc2C1 436094009 XFSUVXFBRNGKLW-HNNXBMFYSA-N 447.485 4.136 5 20 IIBD CC(C)(C)NC(=O)c1ccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 437678348 NPSXHZFABLDODN-UHFFFAOYSA-N 440.500 4.198 5 20 IIBD COc1cc(CCNC(=O)Nc2ccc(CCC(F)(F)F)cc2)c([N+](=O)[O-])cc1OC 440269116 JDHLUSZFLRCAQN-UHFFFAOYSA-N 441.406 4.471 5 20 IIBD C[C@H]1Oc2ccccc2N(CCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)C1=O 440603022 PJWUILFVZWDULY-GOSISDBHSA-N 445.475 4.332 5 20 IIBD COc1cc(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 440914779 NXKPCXSKBYRYLN-BBRMVZONSA-N 445.903 4.404 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2c(F)cc(Br)cc2F)cc([N+](=O)[O-])c1 443881607 RSZNCNDBMZGSIC-UHFFFAOYSA-N 429.173 4.065 5 20 IIBD CN(C)c1nc2cc(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)ccc2o1 444230740 AKIOCYSBGAAXFM-UHFFFAOYSA-N 434.402 4.419 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCO[C@@H](CCc2ccccc2)C1 444307934 GJZVIKCFDZLFNG-SFHVURJKSA-N 448.469 4.433 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 444735250 OLSZEWCIQHCQOW-GJZGRUSLSA-N 445.541 4.131 5 20 IIBD CCCN(CCC)C(=O)c1ccc(NC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 444845622 GACAXJPJTIOYMQ-UHFFFAOYSA-N 438.488 4.055 5 20 IIBD C[C@@H](NC(=O)c1cnc(O)c([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)cs1 444965724 LVUHZAAIGALDPO-SECBINFHSA-N 449.286 4.072 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)Cc1noc([C@H](C)c2ccc([N+](=O)[O-])cc2F)n1 445328860 WQVFUCDIQOOLPB-LLVKDONJSA-N 448.838 4.420 5 20 IIBD COc1ccc(CSCc2nc(CC(=O)Nc3ccc(C)cc3C)no2)cc1[N+](=O)[O-] 445368085 TZWWXWMJIFGXRW-UHFFFAOYSA-N 442.497 4.218 5 20 IIBD O=[N+]([O-])c1ccc2c(-c3nc(-c4ccccc4I)no3)c[nH]c2c1 445381709 AGMYBVDDQFOCKQ-UHFFFAOYSA-N 432.177 4.398 5 20 IIBD COc1cc(OC)c(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1F 446197563 OLVKEEHSMSBLRB-UHFFFAOYSA-N 431.342 4.211 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 446500295 XXXTYLUUHVVKLD-UHFFFAOYSA-N 437.283 4.200 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 447812074 JNGORFJAASVCDW-GHTZIAJQSA-N 435.883 4.162 5 20 IIBD CCOC(=O)c1csc(N(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C2CC2)n1 460099804 AZLBKVAAHRWVKI-UHFFFAOYSA-N 444.494 4.161 5 20 IIBD C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C1 461302208 ORRWQVSYHYKUEF-GUYCJALGSA-N 441.488 4.237 5 20 IIBD CC1(C)CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCOC2)Cc2ccccc21 461362249 IKVSYEDLLRPSKH-KRWDZBQOSA-N 433.512 4.188 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 463953454 VVQXTKYUNUOTHP-AWEZNQCLSA-N 431.880 4.143 5 20 IIBD NC(=O)c1cnc(NC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)s1 464563400 JQWAAUOCKSNFLC-UHFFFAOYSA-N 434.886 4.207 5 20 IIBD CC[C@@H]1Oc2cc([C@H](C)NC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])ccc2NC1=O 465373578 KSMYCRPKNWEXKX-PRXAMGSTSA-N 447.875 4.002 5 20 IIBD C[C@H](NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])C(=O)NC(C)(C)C 466630234 XJIDHTOJXFEYKE-LBPRGKRZSA-N 435.933 4.432 5 20 IIBD C[C@@H]1OCC[C@]1(O)CN(Cc1ccccc1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 468735200 QABGFRCRDCFUDM-XDHUDOTRSA-N 426.513 4.075 5 20 IIBD CCC1(CC)Oc2ccc(NC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)cc2O1 469520873 RUROQXZISWISRN-UHFFFAOYSA-N 441.440 4.209 5 20 IIBD COc1cccc(C=C2CCN(c3ccc(C(=O)c4nccn4C)cc3[N+](=O)[O-])CC2)c1 471735573 JEPQKEDRFIDESQ-UHFFFAOYSA-N 432.480 4.252 5 20 IIBD C[C@@H](SCC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1nc2ccccc2[nH]1 472084147 OGKUTZWNYHMXAP-OAHLLOKOSA-N 440.525 4.335 5 20 IIBD O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 473401272 AZGNUEGFRCGOJN-OAQYLSRUSA-N 434.839 4.416 5 20 IIBD COc1cc2c(cc1OC)CN(C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)CC2 475196362 JLRWIRSPMVCXNB-UHFFFAOYSA-N 425.363 4.221 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(NC(=O)c2ccccc2)cn1 477906672 ZUYKMPODHAVQQS-UHFFFAOYSA-N 440.843 4.303 5 20 IIBD O=C(Nc1cccc(-n2cc(C(F)(F)F)cn2)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 477920044 DOVYLMPMUAPSGG-UHFFFAOYSA-N 442.357 4.237 5 20 IIBD Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)cc2)n1 478536485 RSWPAYQTTFOOAR-QGZVFWFLSA-N 430.468 4.074 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC(O)(Cc2ccc(F)cc2)CC1 479261921 UUPWNSMDEYCBMK-UHFFFAOYSA-N 441.484 4.067 5 20 IIBD CCc1c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cnn1-c1cccc(C(F)(F)F)c1 480194619 IGBFVMUSTZQZQX-UHFFFAOYSA-N 440.403 4.163 5 20 IIBD COc1ccc(F)cc1-c1csc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)n1 480700794 JFSXIRXFJXSXJO-UHFFFAOYSA-N 439.428 4.304 5 20 IIBD Cc1cc(NC(=O)N2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)ccc1[N+](=O)[O-] 481119485 VZNKLIRULUELKT-OAHLLOKOSA-N 429.452 4.108 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)cc1SC 483046941 YEUNVXFWFNFXOK-UHFFFAOYSA-N 429.498 4.250 5 20 IIBD O=C(Nc1nccs1)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1 483846970 NBQPGZDUXSKFRX-UHFFFAOYSA-N 434.380 4.157 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 484540630 DSCKYELQHASGLV-FQEVSTJZSA-N 447.470 4.362 5 20 IIBD COC(=O)c1c(F)ccc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1F 485165492 HNTXFXPBXBRJDA-UHFFFAOYSA-N 447.316 4.119 5 20 IIBD COc1cc(C(=O)Nc2sc3c(c2C(=O)c2ccncc2)CCC3)cc([N+](=O)[O-])c1C 485677201 DONUBOPCJGBWDK-UHFFFAOYSA-N 437.477 4.340 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2nc(C)c(C)s2)nnc1-c1ccc([N+](=O)[O-])cc1 489410852 UXHMEFCWIBCKPI-GFCCVEGCSA-N 432.531 4.066 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N[C@H]2CCC[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] 489657844 BIUJPFOUSAEJIA-AEFFLSMTSA-N 437.525 4.331 5 20 IIBD COc1cc(C(=O)N2CCN(Cc3ccccc3)c3ccccc32)c([N+](=O)[O-])cc1OC 490931164 VUCBJCORGQNZSK-UHFFFAOYSA-N 433.464 4.279 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)cc1[N+](=O)[O-] 491682394 XZGZYHWKOQKLQQ-LJAQVGFWSA-N 444.534 4.320 5 20 IIBD Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 493047086 FFTNVQZWJRGGNV-INIZCTEOSA-N 427.526 4.155 5 20 IIBD C[C@@H]1OCC[C@@]1(C)N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 494228097 SWDCOMAPQPOCTA-YHJVDBJQSA-N 448.317 4.194 5 20 IIBD O=C(NCCC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1 498149338 IJZZVTXHOVCREH-HSZRJFAPSA-N 435.505 4.142 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCO[C@H](c2ccc(Br)cc2)C1 498168426 CSRRQCGCTZMLHF-SFHVURJKSA-N 442.269 4.119 5 20 IIBD O=C(NCCc1ccccc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 498178600 CFOSTHNQBDRYJV-UHFFFAOYSA-N 440.459 4.368 5 20 IIBD C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 500190266 OKRZLULSLSCZOE-CQSZACIVSA-N 435.933 4.018 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)cc1[N+](=O)[O-] 500604556 IQLFSVJRAGXCTN-RTBURBONSA-N 447.520 4.335 5 20 IIBD COc1ccc([C@@H](C)NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(C)c1OC 503538234 WPOSQRDUNIETLS-GFCCVEGCSA-N 441.406 4.500 5 20 IIBD Cc1cc(OCC(=O)Nc2cc3c(cc2Cl)OCCCO3)c(Cl)cc1[N+](=O)[O-] 506430216 BQDQMSRLJMVGBT-UHFFFAOYSA-N 427.240 4.389 5 20 IIBD CN(CCCc1cc(-c2ccccc2)n[nH]1)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 507607526 UGMRTAHXANVHDS-UHFFFAOYSA-N 427.892 4.141 5 20 IIBD COc1cc(CNCc2ccc(NC(C)=O)cc2)c([N+](=O)[O-])cc1OCc1ccccc1 509623604 YUDRGZPXIBMSGN-UHFFFAOYSA-N 435.480 4.431 5 20 IIBD Cc1cc(C)c(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1I 512999295 RDGHPPZFWDRAJR-UHFFFAOYSA-N 438.265 4.131 5 20 IIBD COc1cccc(Oc2ccc(NC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)cc2)c1 513314133 BWLVCFDRWKQPTJ-UHFFFAOYSA-N 442.449 4.052 5 20 IIBD CC(C)NC(=O)c1ccc(NCCc2nc(-c3cccc(Cl)c3)no2)c([N+](=O)[O-])c1 513756774 VCZZYONPYNNJEG-UHFFFAOYSA-N 429.864 4.091 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2CCCc3nc(O)ccc32)cc1 515079641 QGBNPZFVTOBOQG-HXUWFJFHSA-N 435.436 4.304 5 20 IIBD CCOc1cc(NC(=O)N2CCCN(Cc3ccccc3)CC2)c([N+](=O)[O-])cc1OCC 515219268 BACSXTMLPZKZFM-UHFFFAOYSA-N 442.516 4.132 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@H]3CCN(c4ccccc4)C3)cc2[N+](=O)[O-])C1 515554385 ADJWIDDNKBQHIU-HSALFYBXSA-N 436.556 4.333 5 20 IIBD Cc1cc(S(=O)(=O)NCc2ccccc2-c2ccc(CN(C)C)cc2)ccc1[N+](=O)[O-] 522416353 CFRHIEOPQBGQCL-UHFFFAOYSA-N 439.537 4.110 5 20 IIBD COc1ccc(CC(=O)Nc2cccc(C[S@](=O)Cc3ccccc3)c2)cc1[N+](=O)[O-] 522517288 UUDQFWZPECZUOJ-WJOKGBTCSA-N 438.505 4.234 5 20 IIBD CCN(CC)C[C@H](C)NC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 523662244 MXMMAYSDSUAWFE-HNNXBMFYSA-N 429.542 4.008 5 20 IIBD Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 523730265 KMLQRTLANSBMJR-GASCZTMLSA-N 445.541 4.131 5 20 IIBD COc1ccc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1NC(=O)C1CCCCC1 524194339 WQWZRCADVKOCSU-UHFFFAOYSA-N 440.500 4.486 5 20 IIBD CC(C)n1cc([C@H](C)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])cn1 524303854 VOBPGNKHCUUCLK-INIZCTEOSA-N 435.550 4.110 5 20 IIBD O=C(COc1ccc(Br)cc1[N+](=O)[O-])NCc1ccccc1OC1CCCC1 525626875 NARSVYRPXVUENW-UHFFFAOYSA-N 449.301 4.374 5 20 IIBD C[C@H](c1nc(-c2ccccc2)no1)N1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 532662934 SZHYPDPHVNVPCS-OAHLLOKOSA-N 427.892 4.177 5 20 IIBD O=C(CN1CCCc2c(NC(=O)c3ccc(F)cc3)cccc21)Nc1ccccc1[N+](=O)[O-] 533351607 GBCIXOYSKKIQMJ-UHFFFAOYSA-N 448.454 4.378 5 20 IIBD O=C(Nc1cc(Cl)ccc1O)C1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 533616751 WFNCILYOZZSEIW-UHFFFAOYSA-N 438.267 4.098 5 20 IIBD CC(C)Oc1cccc(CN(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1 533764174 UDLHHCPSRUYECB-UHFFFAOYSA-N 436.306 4.215 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 533994609 BPWJHRDCHFFGCC-UHFFFAOYSA-N 438.793 4.425 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(Br)c1 534214993 YTXRGVMOIVOEKI-UHFFFAOYSA-N 439.287 4.265 5 20 IIBD CCOc1cc(C(=O)Nc2cccc3c2CN(c2ccccn2)C3)c([N+](=O)[O-])cc1OC 534553795 DONUYKQQAMIHHM-UHFFFAOYSA-N 434.452 4.170 5 20 IIBD Cc1cc(=O)c(C(=O)N2CCCC(C)(C)c3ccccc32)nn1-c1ccccc1[N+](=O)[O-] 535556010 IBYKGVOREIBZTJ-UHFFFAOYSA-N 432.480 4.167 5 20 IIBD CC[C@@H]1CN(C(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C[C@H]1O 535630296 IYVFLBSPINFTJF-JFURGMOJSA-N 437.521 4.365 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2ccc(OCc3cccc(F)c3)cc2)s1 537656918 HDSLBHOPJRHPNL-UHFFFAOYSA-N 436.486 4.390 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 540239473 COEKZVDRDFDGFP-JCGVRSQUSA-N 436.306 4.494 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCCS1 541270274 UDPIWCDDQHSTGE-OAQYLSRUSA-N 436.537 4.392 5 20 IIBD COc1ccc(C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)cc1[N+](=O)[O-] 542229814 UAOWBVVUXSTIJN-UHFFFAOYSA-N 438.311 4.305 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 549197353 SXFOIDXFWXPEGF-UHFFFAOYSA-N 435.271 4.189 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)ncc1Br 551233329 RNRPBUBEMHGBKV-UHFFFAOYSA-N 429.068 4.384 5 20 IIBD CCCCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1 551694216 IUIGREHQUYKVCR-UHFFFAOYSA-N 443.481 4.436 5 20 IIBD CS(=O)(=O)c1cccc(N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] 553267993 UFFQDBUUWUIBOC-AWEZNQCLSA-N 428.432 4.401 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3[C@H]4C=C(c5ccnn5C)C[C@H]3CC4)cc2[N+](=O)[O-])C1 554930067 JFBZYDOCOJYIHH-ZCLUNYJNSA-N 449.555 4.271 5 20 IIBD Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl 562473684 WIDGKHXCGXPQEH-UHFFFAOYSA-N 437.205 4.466 5 20 IIBD O=C(Nc1ncc(Cc2ccc(F)cc2)s1)N1CCOc2ccc([N+](=O)[O-])cc2C1 564404763 YMYXLAKTAQTMRW-UHFFFAOYSA-N 428.445 4.208 5 20 IIBD CC(=O)CCc1ccc(OCc2cc(I)cc([N+](=O)[O-])c2)cc1 564436987 OVSXIADBKVNFSM-UHFFFAOYSA-N 425.222 4.300 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2c2nc(COc3ccc(Cl)cc3)no2)ccc1[N+](=O)[O-] 565140386 QOVOADRNXWQTSW-GOSISDBHSA-N 442.859 4.496 5 20 IIBD COc1ccc([C@H](Cc2ccccc2)NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)cc1 569412828 LKYGBLMALYEABG-QHCPKHFHSA-N 440.521 4.049 5 20 IIBD Cc1cc(-c2ncco2)ccc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 569742629 JDFLWFMNSMLRET-FQEVSTJZSA-N 434.452 4.110 5 20 IIBD C[C@H]1C[C@@H](c2ccc(F)cc2)CN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 571482732 RSAVOSVMYQTGKB-WCQYABFASA-N 443.294 4.063 5 20 IIBD CC(C)c1c(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cnn1-c1ccccn1 573153181 CRQSKRLBGCPDLT-UHFFFAOYSA-N 433.390 4.248 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC(c4ccsc4)CC3)n2C[C@@H]2CCOC2)c1 575895442 KLWWRWHUYHKVMO-INIZCTEOSA-N 439.541 4.335 5 20 IIBD CCN(C(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)c1cc2ccccc2o1 576381076 RTSHPPAQIWATQM-AWEZNQCLSA-N 443.887 4.263 5 20 IIBD CCc1nn(C)c(N2CCC(N(C)Cc3cccc(C(F)(F)F)c3)CC2)c1[N+](=O)[O-] 578930972 RHSSOCPBQPTWPX-UHFFFAOYSA-N 425.455 4.010 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@H]3c3ccc(O)cc3)n2C[C@@H]2CCCCO2)c1 589678430 UUGJMOOUBMWGHZ-VXKWHMMOSA-N 449.511 4.470 5 20 IIBD O=C(N[C@@H]1CC[C@](O)(C(F)(F)F)C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 590433809 SXVUYKPAIICJNS-FZKQIMNGSA-N 426.416 4.322 5 20 IIBD CC(=O)Nc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Nc2ccccc2)c(F)c1 603573353 NCKHMGARIDVXTI-UHFFFAOYSA-N 444.444 4.237 5 20 IIBD Cc1ccc(S(=O)(=O)N(Cc2nc(C(C)(C)C)no2)c2cccc([N+](=O)[O-])c2)c(C)c1 603680234 LPWQWTIUMZNXIK-UHFFFAOYSA-N 444.513 4.288 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)c2cccs2)cccc1[N+](=O)[O-] 603721874 RZZFALOGZUGQLQ-GOSISDBHSA-N 429.885 4.462 5 20 IIBD COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2ccccc2[N+](=O)[O-])c1 603919084 WTCNQFAMRMNNNF-UHFFFAOYSA-N 442.475 4.445 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604102840 ZYKZAFBPBKSHJW-GHMZBOCLSA-N 443.344 4.312 5 20 IIBD CCC[C@@H](NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1cccc(C(F)(F)F)c1 608850540 AGNDKZYQFPHRNR-OAHLLOKOSA-N 437.374 4.179 5 20 IIBD CCOc1cc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])cc1OCC 608869989 GLIPJTFQYPDMHM-SFHVURJKSA-N 427.501 4.243 5 20 IIBD CC(C)CN1CCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 608923390 DHAGTWQTIRYLRU-OAQYLSRUSA-N 430.936 4.202 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(-c2cn3cccc(C)c3n2)cc1 609847520 PNTVAEHFSVIPLV-GOSISDBHSA-N 447.499 4.089 5 20 IIBD Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2Br)c(Br)c1 609961765 DVUSHQBEWPPAEO-UHFFFAOYSA-N 444.079 4.446 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCCCc1ccc([N+](=O)[O-])cc1 610046567 GPGFOWJPLFBQDJ-UHFFFAOYSA-N 429.476 4.202 5 20 IIBD Cc1ccc(NCCCNC(=O)Nc2c(C)cccc2C(=O)N2CCCC2)c([N+](=O)[O-])c1 610093076 RIQFDSOLESNXAY-UHFFFAOYSA-N 439.516 4.071 5 20 IIBD O=C(Nc1ccccc1-c1noc(CCCNc2ccc([N+](=O)[O-])cc2)n1)c1ccccn1 612928041 XEVLPWCPXNUUOI-UHFFFAOYSA-N 444.451 4.337 5 20 IIBD C[C@H](OC(=O)CC[C@@H](O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 726870668 JHWBJDBUYPICLP-MGPUTAFESA-N 428.485 4.276 5 20 IIBD Cn1c(-c2ccc(NC(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)cc2)nc2ccccc21 727350710 DDOLKUGKDYGKDE-UHFFFAOYSA-N 426.436 4.137 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 727984886 AFVULJWPMILDRP-SFHVURJKSA-N 431.489 4.185 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1I)N1CCCc2cccc(Cl)c21 728705717 SKLLQIVZEVLTDA-UHFFFAOYSA-N 442.640 4.446 5 20 IIBD CCCN(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C1CCN(C(=O)c2ccccc2)CC1 728900169 DTFPNXXVDKYORA-UHFFFAOYSA-N 447.539 4.433 5 20 IIBD Cc1cc(Cl)ccc1O[C@@H](C)C(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 729191745 FDSFWRLPTSCWQX-HNNXBMFYSA-N 433.892 4.179 5 20 IIBD O=C(NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1C[C@H]1c1ccc2ccccc2c1 731290474 MEXBJAFRSBGEHQ-HOTGVXAUSA-N 430.869 4.010 5 20 IIBD Cc1ccc(-c2ncc(C(=O)O[C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)s2)c(C)c1 731519774 YIEOLGHEVBPMLA-GOSISDBHSA-N 437.477 4.297 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(CN(C)C(=O)OC(C)(C)C)c1 732525176 COJMYPMVTBVOOA-UHFFFAOYSA-N 435.502 4.071 5 20 IIBD O=C(OCc1csc(-c2cccs2)n1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 733557596 FFMQWQPQJGSNBJ-LBPRGKRZSA-N 449.535 4.189 5 20 IIBD COC(=O)[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Br)c1cccc(Cl)c1 733824184 LSVSSDJWXGBZRM-AWEZNQCLSA-N 428.622 4.082 5 20 IIBD O=C(C[C@H]1CCc2ccccc21)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 734392876 SSEIDVMPBJTMKC-MRXNPFEDSA-N 433.430 4.382 5 20 IIBD CSc1ccc(NC(=O)[C@@H](C)OC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1 735150132 YIDNBDDHNVQHAW-GFCCVEGCSA-N 438.889 4.309 5 20 IIBD CC(C)c1cccc(O[C@@H](C)C(=O)OCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c1 735344072 DOPYKTWYZQKHHP-HNNXBMFYSA-N 428.441 4.027 5 20 IIBD O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 735699040 JTHCWHHHCSHRTM-INIZCTEOSA-N 438.292 4.489 5 20 IIBD O=C1CC[C@]2(C(=O)OCc3ccc([N+](=O)[O-])cc3Br)Sc3ccccc3N12 739579868 NDBXHQQTTCNEDN-GOSISDBHSA-N 449.282 4.030 5 20 IIBD CC(C)[C@H](NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1 740422354 IQNURNFLJSKYNS-SFHVURJKSA-N 435.274 4.028 5 20 IIBD C[C@@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)s1 745642430 IGGFTKMFWOZFJI-MRVPVSSYSA-N 447.694 4.358 5 20 IIBD CCOC(=O)c1c(NC(=O)COc2cc([N+](=O)[O-])ccc2Cl)sc(C(C)=O)c1C 747811751 ZIUJYEBGZMBTJA-UHFFFAOYSA-N 440.861 4.015 5 20 IIBD C[C@H](NC(=O)COC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(Cl)cc1 747956748 ZLODMPBCUXAIDD-LBPRGKRZSA-N 445.884 4.406 5 20 IIBD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc21 749132093 WUPMNVIWEGUDLM-UHFFFAOYSA-N 428.876 4.324 5 20 IIBD O=C(CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)Nc1ccc(Cl)cc1 749422772 XQVWGROHTLABRR-UHFFFAOYSA-N 447.072 4.033 5 20 IIBD Cc1nc(-c2ccccc2)oc1C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 750945527 DYVCBPKMUPAWQW-GFCCVEGCSA-N 429.816 4.396 5 20 IIBD CC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)ccc1Cl 752977640 GIAZSNZBUPXOCV-UHFFFAOYSA-N 446.312 4.231 5 20 IIBD COC(=O)N(C)Cc1ccc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1 753095769 QZXGYLRFXFXNBU-UHFFFAOYSA-N 436.262 4.116 5 20 IIBD C[S@](=O)Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2Br)ccc1Cl 753826164 LCIJOCCYTJBWNN-DEOSSOPVSA-N 431.695 4.142 5 20 IIBD CC(=O)c1ccc(Nc2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c([N+](=O)[O-])c1 754083812 YTVWYTZIMYWUED-UHFFFAOYSA-N 429.477 4.310 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1cnc(-c2ccc3c(c2)OCO3)s1 755372020 RXSHNXGQIGDGFA-UHFFFAOYSA-N 448.254 4.462 5 20 IIBD COCCCOc1cc(C)ccc1CNC(=O)c1cccc([N+](=O)[O-])c1Br 758663132 YQYNKKRHHLPXBM-UHFFFAOYSA-N 437.290 4.011 5 20 IIBD C[C@H](Nc1ccc(C(=O)OCc2nncn2-c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 764381697 HRJDRVLMUHXOGT-INIZCTEOSA-N 444.451 4.101 5 20 IIBD CCCN(Cn1nc(-c2ccc([N+](=O)[O-])cc2)n(CC)c1=S)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 765032547 XBPPLEKEVSHBED-QRVBRYPASA-N 445.589 4.492 5 20 IIBD O=C(Nc1nc(C2CCC2)cs1)c1cc([N+](=O)[O-])ccc1I 767109411 ZVZGBYAFQCJLRP-UHFFFAOYSA-N 429.239 4.176 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)[C@@H](O)c1ccccc1 768638903 DLSZJBWZVBVZNE-VQTJNVASSA-N 440.839 4.205 5 20 IIBD C[C@@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@H]1NC(=O)OC(C)(C)C 769422999 LEHFVVFBEHSVEG-RDTXWAMCSA-N 432.546 4.453 5 20 IIBD CCc1c(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)cnn1-c1ccccc1OC 769436001 MUJSFKCWCIZWSN-UHFFFAOYSA-N 428.876 4.277 5 20 IIBD CN(C(=O)CCNc1ccccc1[N+](=O)[O-])c1nc(-c2ccccc2[N+](=O)[O-])cs1 775495321 HKUZMZVRHOFGKE-UHFFFAOYSA-N 427.442 4.092 5 20 IIBD O=C(Nc1cccc(COc2ccccc2)c1)c1cccc([N+](=O)[O-])c1N1CCOCC1 776305161 DBTJLYMTLFEYHV-UHFFFAOYSA-N 433.464 4.263 5 20 IIBD C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 777943987 MGYRVVMEFPKVTC-GJZGRUSLSA-N 431.439 4.443 5 20 IIBD O=C(NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 777959022 ZBALMBFVTLWUGO-UHFFFAOYSA-N 440.328 4.208 5 20 IIBD COc1cc(COC(=O)C2(c3ccccc3F)CC2)c([N+](=O)[O-])cc1OCC(F)F 780067113 HWVCWUZVGJGDPX-UHFFFAOYSA-N 425.359 4.161 5 20 IIBD O=C(COC(=O)c1cccc(Br)c1Cl)Nc1cc([N+](=O)[O-])ccc1Cl 780132438 ZGFADGVGMGFZTP-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD Cc1ccc(-c2nnc(NC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])s2)c(C)c1 781629914 CWJJZSVICORIMT-UHFFFAOYSA-N 427.442 4.210 5 20 IIBD CC(C)NC(=O)c1ccc(Cl)c(NC(=O)c2cccc([N+](=O)[O-])c2Br)c1 782124141 SMJZUCPQKWMTML-UHFFFAOYSA-N 440.681 4.401 5 20 IIBD Cn1nc(C(F)(F)F)c(C[S@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1Cl 782189042 QZDXVZJLIFFKNX-GDLZYMKVSA-N 448.810 4.104 5 20 IIBD O=C(CCN1CCCCC[C@H]1C[C@@H](O)c1cccs1)Nc1cc([N+](=O)[O-])ccc1F 782507910 WLUXSVOQUWNXJI-HNAYVOBHSA-N 435.521 4.492 5 20 IIBD O=[N+]([O-])c1cc(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)ccc1Br 783596408 XDEDIVVALXQTSZ-GFCCVEGCSA-N 433.228 4.410 5 20 IIBD CC(C)(CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])NC(=O)OC(C)(C)C 785129889 IPSUQAPLHVJOQY-UHFFFAOYSA-N 443.500 4.207 5 20 IIBD O=[N+]([O-])c1ccc2cnn(CN(Cc3cccc(Br)c3)C3CCOCC3)c2c1 786107677 WUJKXPDSSFZZMJ-UHFFFAOYSA-N 445.317 4.346 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)OCC(=O)N[C@@H](C)c3cccs3)cc2[N+](=O)[O-])C1 787438016 WXQRQQNIZLMUIJ-XHSDSOJGSA-N 445.541 4.173 5 20 IIBD Cc1cnc(Cl)c(NC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 787446523 HLVGOYTVURUXCP-UHFFFAOYSA-N 443.813 4.325 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)COC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790741926 HIHFMYRBRMKKFQ-UHFFFAOYSA-N 445.230 4.082 5 20 IIBD Cc1c(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cccc1[N+](=O)[O-] 791017478 OPDZCAJTDOBPFG-UHFFFAOYSA-N 428.626 4.157 5 20 IIBD CCOc1cc(N2CCN(C(=S)N[C@H](CC)c3cccs3)CC2)ccc1[N+](=O)[O-] 795012965 OFWCWVLOWZYTJG-MRXNPFEDSA-N 434.587 4.203 5 20 IIBD O=[N+]([O-])c1cc(Cl)c(OS(=O)(=O)c2cc(F)ccc2Br)cc1F 796207102 DZRMONCXEZBFER-UHFFFAOYSA-N 428.594 4.057 5 20 IIBD O=C(COC(F)F)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 797079734 DIXVWVBRABEIMM-UHFFFAOYSA-N 435.166 4.299 5 20 IIBD Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 798501235 HUUZENAYCALZHD-FQEVSTJZSA-N 438.509 4.248 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 800602054 KVGDQXCRMQFBJF-NSHDSACASA-N 427.354 4.219 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCC(C)(C)c1cccc(C(F)(F)F)c1 800603585 YPBUPOSPHIAIAJ-UHFFFAOYSA-N 441.381 4.094 5 20 IIBD Cc1cnc(-c2ccccc2NC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])[nH]1 802774214 FMSDGRMVMPRVKV-UHFFFAOYSA-N 444.289 4.131 5 20 IIBD C[C@@H](CC(=O)N(C)CCc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 803408493 IMIUFEXWZQBEST-PKOBYXMFSA-N 433.549 4.269 5 20 IIBD COc1ccccc1[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc12)NC(=O)OC(C)(C)C 804360565 YORJFQXHADINNE-CQSZACIVSA-N 445.501 4.286 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(C(F)(F)F)cc(Br)n1 806800777 NFMXWNGGKGJFJW-UHFFFAOYSA-N 433.184 4.435 5 20 IIBD CC[C@H](C)N[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1ccco1 807679777 JUEMEPRYLALNFO-GWCFXTLKSA-N 444.713 4.463 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2ccc(Cl)c(SC(=O)N(C)C)c2)cc1[N+](=O)[O-] 808117187 OFBQVHNESXTRQG-UHFFFAOYSA-N 447.897 4.270 5 20 IIBD CN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F 809806084 ZMSXAYZGJMNWCM-UHFFFAOYSA-N 426.775 4.227 5 20 IIBD C[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N2CCCCC2=O)cc1 810132231 JYWMURVTCMOWKG-AWEZNQCLSA-N 430.892 4.054 5 20 IIBD COC(=O)Nc1ccc(NCc2cc(I)cc([N+](=O)[O-])c2)cc1F 810151983 RIXHUWFDAOWQLY-UHFFFAOYSA-N 445.188 4.129 5 20 IIBD Cc1ccc(CN2C(=O)CC[C@H]2C(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 811085154 BSYYEJATTHUEOF-KRWDZBQOSA-N 437.279 4.444 5 20 IIBD Cc1cccc(Br)c1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 811271836 DNSAVEWPAHBVFS-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD Cc1csc(Nc2ccc(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)n1 811320828 VSTXMNSIXVCCFK-UHFFFAOYSA-N 426.454 4.207 5 20 IIBD C[C@H](C(=O)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CN(C(=O)OC(C)(C)C)C1 815241636 WKASUBXVXZZKLG-NSHDSACASA-N 432.395 4.160 5 20 IIBD C[C@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccccc1Cl 815511740 VQJBIQDKROHQLF-JTQLQIEISA-N 430.766 4.301 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2oc(CN3CCCC3)nc2c1 816767224 RVNBWRUGDRVWGF-AWEZNQCLSA-N 426.498 4.451 5 20 IIBD CC(C)C(=O)Nc1ccc(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 914928965 AKTZNNMBZIXFKM-GFCCVEGCSA-N 433.848 4.027 5 20 IIBD C[C@@H](OC(=O)CCOc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1Cl 915450251 DPUKIMKKPJRYGU-LLVKDONJSA-N 427.240 4.241 5 20 IIBD O=C(COCC(F)(F)F)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 915549663 KHCBHIJRBMBXQD-INIZCTEOSA-N 446.765 4.050 5 20 IIBD O=C(NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H](Sc1ccccc1)c1ccccc1 916783891 ANNZKAVLGLCDAV-FQEVSTJZSA-N 442.518 4.074 5 20 IIBD O=C(N[C@H](c1ccccc1)C1CCCC1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 918644536 CCHBZXWZCPIUNZ-HTAPYJJXSA-N 425.460 4.135 5 20 IIBD Cc1cc(-c2noc([C@@H](C)OC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)n2)ccc1F 919145275 YXFQBCPEVWDQDQ-CYBMUJFWSA-N 437.387 4.196 5 20 IIBD C[C@H](OC(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 919442749 FHBLWHILVZYMFC-QWRGUYRKSA-N 427.240 4.239 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)Cc2ccc3c(c2)OCO3)c2ccccc2)c([N+](=O)[O-])c1 919642393 LZNSHMOJJGHPJE-HSZRJFAPSA-N 448.431 4.098 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 919762372 SIUWHVZUAVMASV-UHFFFAOYSA-N 449.854 4.489 5 20 IIBD C[C@@H](OC(=O)Cc1csc(NC(=O)c2ccccc2F)n1)c1cccc([N+](=O)[O-])c1 920157092 IBGBWVOZSSXFJD-GFCCVEGCSA-N 429.429 4.290 5 20 IIBD C[C@H](OC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O)c1ccccc1[N+](=O)[O-] 920268053 MGQGNFNSYFJFKT-BLLLJJGKSA-N 433.258 4.015 5 20 IIBD C[C@H](Nc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2)cc1[N+](=O)[O-])c1ccccn1 920543793 AMCUOXUGGGLZGI-JKSUJKDBSA-N 434.452 4.347 5 20 IIBD C[C@H](OC(=O)Cc1cc2ccccc2o1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 920657340 AKGXGVSYSKRBAG-NSHDSACASA-N 436.342 4.473 5 20 IIBD Cc1nc(-c2ccccc2)sc1-c1nnc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)o1 1322454943 AKADQKKRDCOBRK-UHFFFAOYSA-N 431.437 4.324 5 20 IIBD COc1ccccc1-c1nnc(COC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)o1 1335589589 QBQRNNRREKPPDH-UHFFFAOYSA-N 448.229 4.081 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)NC1(c2ccc(NC(=O)c3cccnc3)cc2)CCC1 1787301307 OJXHSULCRDFPFG-UHFFFAOYSA-N 444.491 4.370 5 20 IIBD Cc1ncoc1C(=O)Nc1ccc(C2(NC(=O)c3cccc(F)c3[N+](=O)[O-])CCC2)cc1 1787477828 BDOBEJJKHURHNG-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)NC1(c2ccc(NC(=O)c3ccc(F)cn3)cc2)CCC1 1787534209 UMFITYJDNRTWHX-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2ccccc2o1 1797484483 HNXFXCRCIDLKLA-ACDBMABISA-N 447.491 4.226 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2)[nH]n1)c1ccc([N+](=O)[O-])o1 1814311807 QTDGLWLUEDQUMR-HNNXBMFYSA-N 443.847 4.184 5 20 IIBD Cc1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)CC3CCC3)[nH]n2)cc1[N+](=O)[O-] 1820919967 FLIZDLQCTSNMDV-IBGZPJMESA-N 439.516 4.051 5 20 IIBD CCOc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2CC(C)C)c([N+](=O)[O-])c1 9567212 JAGMIPIKQVRXNT-UHFFFAOYSA-N 445.501 4.232 5 20 IIBD O=C(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1c(Cl)cccc1Cl 10734117 NOZASCVABZNZCG-UHFFFAOYSA-N 438.267 4.297 5 20 IIBD O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1OCc1ccccc1 13467813 PPYZJSMJQWKTBI-CABCVRRESA-N 430.844 4.433 5 20 IIBD NC(=O)c1ccc(COC(=O)c2cc(-c3ccccc3)nc3ccccc23)c([N+](=O)[O-])c1 16743022 DFWJEOOWGQVRIJ-UHFFFAOYSA-N 427.416 4.266 5 20 IIBD Cc1nc(COc2cccc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])c2)cs1 17737631 HXEIUXXWSXVFCT-ZDUSSCGKSA-N 441.465 4.123 5 20 IIBD Cc1ccccc1[C@H](C)NC(=O)[C@H](C)OC(=O)c1ccc(Br)c([N+](=O)[O-])c1 22184037 YNUAVGHROLLMDP-STQMWFEESA-N 435.274 4.088 5 20 IIBD O=C(NC[C@H](c1ccco1)N1CCCCC1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 22402756 SHUIQBUBKDKCJA-OAQYLSRUSA-N 426.517 4.135 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(Cc2nccn2Cc2ccccc2)CC1 26902085 NUYJQMRLICZLPU-UHFFFAOYSA-N 445.445 4.181 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)Cn1nc(N2CCCCC2)n(C2CC2)c1=S 27533790 OHPCLSFTPWPRTR-UHFFFAOYSA-N 436.969 4.390 5 20 IIBD Cn1c(Sc2nc3sccn3c2[N+](=O)[O-])nc2scc(-c3ccccc3)c2c1=O 29164205 LSHSETLRJRLTFD-UHFFFAOYSA-N 441.519 4.431 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1 32402322 SCYQIPZHWRUVER-UHFFFAOYSA-N 445.293 4.409 5 20 IIBD Cc1cc(Br)cc(C)c1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 57773589 OXBGVZIPCPLJPN-UHFFFAOYSA-N 433.306 4.328 5 20 IIBD COc1cccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 64825688 OXYSTNTUHOLOFT-UZLBHIALSA-N 430.526 4.292 5 20 IIBD Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 108753549 OYWSZRALWJFSQK-KRWDZBQOSA-N 447.495 4.148 5 20 IIBD C[C@@H](NC(=O)N1CCO[C@H](c2cccc(Br)c2)C1)c1cccc([N+](=O)[O-])c1 109813403 BUYJFRQIIUZJTC-ACJLOTCBSA-N 434.290 4.201 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc(Cl)cc1-n1cccc1 111002500 PXYXLFOGHXEJON-UHFFFAOYSA-N 440.843 4.366 5 20 IIBD CC1CCN(C[C@H]2CCCN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)CC1 216324689 XMAPDLJRMAHCLD-QGZVFWFLSA-N 428.558 4.302 5 20 IIBD O=[N+]([O-])c1cncc(Br)c1N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 301940530 UIQLUGYWQMQHEZ-WMZOPIPTSA-N 431.334 4.243 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl 303805296 ATTZUTDVAKJLMM-SNVBAGLBSA-N 449.838 4.338 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(F)cc3Cl)n2)cc1[N+](=O)[O-] 427636637 CEYOKQFURWVARV-UHFFFAOYSA-N 437.836 4.259 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCOC[C@H]3[C@H]3CCCC3=O)cc2[N+](=O)[O-])cc1 427893799 KKDYYTZVEQBXDQ-QUCCMNQESA-N 440.521 4.265 5 20 IIBD COc1cc(C(=O)NC(C)(C)c2ncc(C)s2)c([N+](=O)[O-])cc1OCc1cscn1 430518559 DVEDUGJWIFAHHN-UHFFFAOYSA-N 448.526 4.069 5 20 IIBD O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)c1ccc(Br)cc1[N+](=O)[O-] 430929640 XWYXZYHUSZBCMY-UHFFFAOYSA-N 439.678 4.203 5 20 IIBD COC(=O)CCSCc1cccc(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c1 432799281 WWXRIWNQQMKSFW-UHFFFAOYSA-N 431.514 4.448 5 20 IIBD CN(C(=O)c1ccc(OCC(F)(F)F)cn1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 433868725 ONHCNDWPOQHEBR-UHFFFAOYSA-N 438.387 4.331 5 20 IIBD O=[N+]([O-])c1cc(Cl)cnc1NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 434957771 AJVGSWRXZFPSMJ-UHFFFAOYSA-N 436.852 4.195 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)cc1OC 436177637 SXJTXHFPDHOELL-UHFFFAOYSA-N 436.468 4.454 5 20 IIBD COc1cc(OCC(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)ccc1[N+](=O)[O-] 436462144 CQAORHNWUBSPHD-INIZCTEOSA-N 436.745 4.195 5 20 IIBD C[C@H](NC(=O)c1ccc(O)c([N+](=O)[O-])c1)c1cccc(NC(=O)Cc2ccccc2F)c1 436958707 JHNDXIQBUQFZHW-AWEZNQCLSA-N 437.427 4.112 5 20 IIBD CC(C)[C@@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc2c(c1)OCCO2 437707463 JTNSTYXLEGHVRF-JOCHJYFZSA-N 425.485 4.437 5 20 IIBD O=C(N[C@@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1)c1cc2cc([N+](=O)[O-])ccc2s1 438457392 QPKPJITXAUNYFR-INIZCTEOSA-N 447.398 4.466 5 20 IIBD O=C(c1csc([N+](=O)[O-])c1)N(C[C@@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F 440422059 BZPGCSGUASHZKJ-OAHLLOKOSA-N 427.448 4.183 5 20 IIBD O=C(CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])Nc1cccc(F)c1 440710058 ASBRVNVOPWBXCO-UHFFFAOYSA-N 425.441 4.254 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCO[C@@H](c2ccc(Cl)cc2)C1 445992216 JVEUUWNGVBTJNR-QGZVFWFLSA-N 439.693 4.153 5 20 IIBD CCc1c(NC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cnn1-c1ccc(Cl)cc1 446258042 CZPOZBZDRKPSLZ-UHFFFAOYSA-N 439.863 4.194 5 20 IIBD CCC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(=O)Nc1cccc(N2CCCC2)c1 446484262 HQPYEJSAELZCJG-NRFANRHFSA-N 439.516 4.432 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(Br)c(Cl)c2)cc1[N+](=O)[O-] 446808214 JVEDLXBHDGRVOT-JTQLQIEISA-N 440.681 4.135 5 20 IIBD Cc1nnc(-c2cccc(NC(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)n1C 448187917 HJOWAKAAANGFIA-UHFFFAOYSA-N 448.405 4.158 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(-c3ccc4nc(-c5cscn5)[nH]c4c3)no2)cc2c1OCO2 463185122 VOCFRVKXKKRWJA-UHFFFAOYSA-N 434.393 4.040 5 20 IIBD Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1 464039756 MGCKOGYRBQHYED-PMACEKPBSA-N 437.496 4.386 5 20 IIBD O=C(N[C@@H]1CCc2c[nH]nc2C1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 467633552 DBXZLGDBMUJTQZ-OAHLLOKOSA-N 428.901 4.410 5 20 IIBD CSc1cccc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)c1[N+](=O)[O-] 468065961 SVIJXQVLCODDAP-LJQANCHMSA-N 435.505 4.297 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N(Cc1ccccc1)[C@H](C)C(C)(C)C 468995658 OMSGPJDYLBZISL-OAHLLOKOSA-N 434.514 4.007 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)c1 469493785 KLVPCVUBFHQLLB-KRWDZBQOSA-N 427.448 4.368 5 20 IIBD C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 469535872 RCMKCWYCALZIAV-UONOGXRCSA-N 443.887 4.166 5 20 IIBD CC[C@@H]1CN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 470004601 SPGYPJVNRWPIKT-WBVHZDCISA-N 429.904 4.020 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C)cc2-c2nc(C3CC3)no2)cc1OC 471642079 ADMLFDGZBRJBQO-UHFFFAOYSA-N 438.440 4.490 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)NC(=O)c3ccc(Br)cc3[N+](=O)[O-])n2)cc1F 472552790 VMPQKTDWVIVJNR-SNVBAGLBSA-N 449.236 4.346 5 20 IIBD CCc1cnc(CN(C)C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)s1 474459615 QSVNUNLPBKSQBT-AWEZNQCLSA-N 425.514 4.454 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)cc1OC 476445909 GRGCFAZKEBOPJU-UHFFFAOYSA-N 448.903 4.302 5 20 IIBD Nc1c(C(=O)N[C@H](Cc2ccccn2)c2ccc(Br)cc2)cccc1[N+](=O)[O-] 476510333 NKRIJSZCKRAYQY-QGZVFWFLSA-N 441.285 4.048 5 20 IIBD Cn1cc(C(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 479295281 VRMHQWJLQGMEAC-LJQANCHMSA-N 444.850 4.002 5 20 IIBD CN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 480434563 HRZFLMJZUGQACS-UYAOXDASSA-N 434.279 4.042 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 482179148 ICOLYTSYYJBCLE-CQSZACIVSA-N 447.278 4.381 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)Cc2cccc(Br)c2)cc1SC 483353695 SGKRIVAWMRIJBN-LLVKDONJSA-N 439.331 4.449 5 20 IIBD COc1cc(CN2C(=O)[C@@H](c3cccs3)N(Cc3ccccc3)C2=O)ccc1[N+](=O)[O-] 484666879 BXXGIEGUHOHTMM-HXUWFJFHSA-N 437.477 4.371 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N(CC(N)=O)Cc3ccccc3)cc2[N+](=O)[O-])cc1 486103739 SEXLRLVLQNCTQK-UHFFFAOYSA-N 435.505 4.182 5 20 IIBD Cc1ccnc(-c2n[nH]c([C@H](C)Nc3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)n2)c1 486485888 IYMPFNFQYKCYIO-HNNXBMFYSA-N 431.456 4.230 5 20 IIBD O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 487576811 RXHHACJKRXWMAC-LJQANCHMSA-N 435.411 4.062 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(c3ncnc4sccc34)C2)cc1[N+](=O)[O-] 488080461 VEIWWUOQWSUMCZ-GDBMZVCRSA-N 425.514 4.002 5 20 IIBD CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 489146531 HBSNSWKEZBWRCE-HNNXBMFYSA-N 443.500 4.108 5 20 IIBD Cc1ccc(-c2noc([C@H](C)NC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])n2)cc1F 489754164 RNTMQRRTFCSQGX-ZDUSSCGKSA-N 427.436 4.388 5 20 IIBD O=C(CN(Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1cc2c(cc1Cl)OCCCO2 490024507 FJFRMVRUARCJCL-UHFFFAOYSA-N 431.876 4.013 5 20 IIBD CCn1c([C@H]2CCCN2CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc2ccccc21 490188578 SCLZRKROJAHSRF-LJQANCHMSA-N 427.892 4.393 5 20 IIBD COCCN(Cc1ccc(Br)s1)C(=O)NCc1cccc([N+](=O)[O-])c1C 494827491 UZAVURURSIJZHI-UHFFFAOYSA-N 442.335 4.085 5 20 IIBD COC(=O)c1ccc(-c2csc(NC(=O)CSc3ccccc3[N+](=O)[O-])n2)cc1 497461998 DLBPPNUSIHRUEW-UHFFFAOYSA-N 429.479 4.236 5 20 IIBD CC(C)n1c([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)nc2ccccc21 497861554 YPHLMIMEMMDQBZ-CQSZACIVSA-N 428.514 4.101 5 20 IIBD COC(=O)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)Cc1cccc2ccccc12 498624881 UVQXDWXQEJZVIJ-MRXNPFEDSA-N 426.856 4.163 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC(OC2CCCC2)CC1 503367629 JWGQENRCZPTCEW-UHFFFAOYSA-N 429.439 4.366 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1cccc(OCCc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 504018074 DAHOJTMPVONZEV-QGZVFWFLSA-N 433.464 4.032 5 20 IIBD C[C@@H]1CCCN(c2nnc(SCc3c(F)cccc3[N+](=O)[O-])n2Cc2ccco2)C1 504517987 ICIIWVHLMURMTD-CQSZACIVSA-N 431.493 4.495 5 20 IIBD CCN(C(=O)c1cc([N+](=O)[O-])cc(I)c1C)c1ccc(F)cc1 509060157 IRVJRSDCNRVSFW-UHFFFAOYSA-N 428.201 4.314 5 20 IIBD CCn1c([C@@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)nc2ccccc21 509636602 SNNDJVQRWDBEAK-KRWDZBQOSA-N 434.905 4.144 5 20 IIBD O=C(c1cc(NCCOc2cccc(Br)c2)ccc1[N+](=O)[O-])N1CCCC1 511418787 SUZZGXSVXRTISY-UHFFFAOYSA-N 434.290 4.084 5 20 IIBD O=C(NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 518901722 VOSRDHMUIVYGJM-UHFFFAOYSA-N 445.401 4.304 5 20 IIBD CCc1sc(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)nc1-c1ccc(OC)cc1 519123531 KUBXRXOCXOZVNT-UHFFFAOYSA-N 441.465 4.328 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)c1 520731825 YMFSEEXAMFKHIU-QGZVFWFLSA-N 429.231 4.263 5 20 IIBD C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)COc1ccccc1[N+](=O)[O-] 521489701 TXPDESSABKXDRS-ADLMAVQZSA-N 437.315 4.335 5 20 IIBD Cc1c([C@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C(C)C)oc2ccccc12 522111423 ZIVQECSVSAIOCX-OAQYLSRUSA-N 437.500 4.273 5 20 IIBD CC(C)(C)OC(=O)Cc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1 531029393 PNQFHDKOWKFKGY-UHFFFAOYSA-N 449.301 4.423 5 20 IIBD COc1cc(C(=O)NC[C@](C)(O)C(F)(F)F)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 534860394 MVUWHEMJSZUBDM-KRWDZBQOSA-N 448.781 4.092 5 20 IIBD O=C(Cc1csc(-c2cccc(Br)c2)n1)Nc1cc([N+](=O)[O-])ccc1O 538870739 XBLSKSZNQLUWOZ-UHFFFAOYSA-N 434.271 4.368 5 20 IIBD C[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(OCc2ccccn2)c1 539252631 LLIWLFZZKBPAIR-SBUREZEXSA-N 432.480 4.025 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N[C@@H]2CCO[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 540038112 QFVBJJMOSBNCCN-IIBYNOLFSA-N 426.469 4.228 5 20 IIBD CCN(CC)C(=O)CCC1CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 541085467 JOORNZKGANTKRT-MRXNPFEDSA-N 429.521 4.066 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccccc1NCc1ccccc1C 541156147 UPHOXFNSDVZJGO-GOSISDBHSA-N 436.516 4.386 5 20 IIBD CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)CSc3ccccc3[N+](=O)[O-])cc21 541284587 OYUGGMVEDGDSNY-UHFFFAOYSA-N 429.498 4.097 5 20 IIBD C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NCc1cc([N+](=O)[O-])ccc1OC(F)F 542701419 DYHFEIHDLCLNFX-HNNXBMFYSA-N 448.470 4.303 5 20 IIBD O=C(c1ccccc1)c1ccc(NCc2ccccc2CN2CC[C@H](O)C2)c([N+](=O)[O-])c1 542863101 BMILTXQVANFKML-QFIPXVFZSA-N 431.492 4.005 5 20 IIBD COc1ccc(NC(=O)C[C@@H](NC(=O)c2ccc(C)cc2)c2ccccc2)cc1[N+](=O)[O-] 542929149 VSILOKKQIZJDHL-HXUWFJFHSA-N 433.464 4.412 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)c2cccs2)cc1[N+](=O)[O-] 543013516 PMKQMENSJMJFNC-GOSISDBHSA-N 445.884 4.163 5 20 IIBD COc1cc(Cc2noc([C@H](C)Oc3ccc(CCC(C)=O)cc3)n2)ccc1[N+](=O)[O-] 545777069 WRRSCVXFYKRKGC-HNNXBMFYSA-N 425.441 4.239 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1csc(-c2ccc(OC)c(OC)c2)n1 546664829 ITOLICYRXOFBMY-UHFFFAOYSA-N 429.454 4.387 5 20 IIBD CCC(CC)(CCO)NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 548919818 WJULPKIRHXHVGB-UHFFFAOYSA-N 436.512 4.047 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCc2ccc(Br)cc2C1 551663737 CKKXEAWYPQUEMP-UHFFFAOYSA-N 444.329 4.159 5 20 IIBD C[C@@H]1C[C@@H](CCN[C@@H](c2cccc([N+](=O)[O-])c2)c2nccn2C)CN1Cc1ccccc1 552062961 LIWHRXQIJZRVRA-ZYKOEDHHSA-N 433.556 4.308 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(-c3cccc(NS(=O)(=O)c4cccs4)c3)n2)cc1 553681243 MISLBNOFNDDDAR-UHFFFAOYSA-N 428.451 4.174 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(-c2nc(-c3cc(C(F)(F)F)ccc3-n3cncn3)no2)c1 554824528 XDJQRVDVZZBHED-UHFFFAOYSA-N 446.345 4.310 5 20 IIBD C[C@H](CNc1nc(O)c2cc([N+](=O)[O-])ccc2n1)Sc1ccc(Br)cc1 557573802 NDLZDFNSQHUNEQ-SNVBAGLBSA-N 435.303 4.599 5 20 IIBD O=[N+]([O-])c1cnc(N[C@H](c2cncc(Br)c2)C2CC2)c(Br)c1 557689848 DDYBILQZNKTGDR-ZDUSSCGKSA-N 428.084 4.473 5 20 IIBD COc1cc(OCC(=O)N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)ccc1[N+](=O)[O-] 560721418 NEYXFFHAMWGPCP-HNNXBMFYSA-N 438.402 4.407 5 20 IIBD O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)Nc1ccccc1-c1ccccc1 561831457 IEIUPWVVNSBZBL-UHFFFAOYSA-N 428.448 4.041 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](NC(=O)CCCc3ccccc3)C2)c1 564480639 YXHLIQDEIDESRP-SFHVURJKSA-N 441.553 4.060 5 20 IIBD CN(CCn1cc(Br)cn1)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 567145508 XHGZPMXBTLBCJT-UHFFFAOYSA-N 445.273 4.118 5 20 IIBD COc1ccc(C[C@H](CO)CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1O 577782814 OCLIGWBUFKNHPX-HNNXBMFYSA-N 446.887 4.163 5 20 IIBD CC[C@@](C)(NC(=O)c1ccccc1)c1noc(-c2cc(Br)cc([N+](=O)[O-])c2)n1 589156559 VNRYUWJVYKZQBD-LJQANCHMSA-N 445.273 4.463 5 20 IIBD COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 589250896 BSDKAQYZDPVUTH-UHFFFAOYSA-N 432.432 4.218 5 20 IIBD CCOC(=O)c1cccc(N(CC)C(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 604026530 RSXHPDPGONGWOK-UHFFFAOYSA-N 428.488 4.385 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1-c1ccc(Cl)cc1 608855714 XIOVJBHRBOKIEH-HNNXBMFYSA-N 437.883 4.350 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)Nc2cnc(C3CC3)nc2)cc1[N+](=O)[O-] 609127422 JSGAEDLZQQCGNV-UHFFFAOYSA-N 434.477 4.467 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCc2[nH]c3ccc(Br)cc3c2C1 609197353 QAORGOLOUHPVBC-UHFFFAOYSA-N 443.301 4.144 5 20 IIBD C[C@@H](c1cccc(Cl)c1)N(C)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 609418369 CIWNSSPJHFFFPR-JTQLQIEISA-N 433.711 4.392 5 20 IIBD O=C(N[C@@H](c1ccccc1)c1cc2ccccc2o1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 609443685 YYNBALVFTJASHP-QHCPKHFHSA-N 439.431 4.441 5 20 IIBD Cc1csc(Sc2ccc(NC(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)cc2)n1 609448538 GYYJIVCJNBQIPC-UHFFFAOYSA-N 438.494 4.344 5 20 IIBD CS(=O)(=O)c1ccc(NCCCCN2CCC(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 609464078 FOMQJFCVFYQBJG-UHFFFAOYSA-N 445.585 4.145 5 20 IIBD CC1CCN(Cc2cccc(CNC(=O)c3cc(O)nc4ccc([N+](=O)[O-])cc34)c2)CC1 609549050 ARWQMBZAPNBIGT-UHFFFAOYSA-N 434.496 4.011 5 20 IIBD CC(=O)N(Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1)C(C)C 610046198 KKZPECLOBXYTJV-UHFFFAOYSA-N 434.290 4.367 5 20 IIBD O=C(CC1(CCc2ccccc2)CCCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 610117865 IJLXVLPMIAKMHV-UHFFFAOYSA-N 449.551 4.463 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCc2c(F)cc(Br)cc2C1 610727862 BZXTUOLHPQIYMI-UHFFFAOYSA-N 425.279 4.173 5 20 IIBD CC(C)CCSc1ccc(C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)cc1[N+](=O)[O-] 610772262 KDHQVSWQBPGGHI-SFHVURJKSA-N 433.574 4.254 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CCN(Cc2cscn2)CC1 611201700 LKBLASBFLRPYBI-UHFFFAOYSA-N 432.571 4.044 5 20 IIBD CCO[C@@H](C)c1noc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)n1 611206494 GONYNQOMRFCCCN-ZDUSSCGKSA-N 434.518 4.382 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC[C@H](Cn2cnc3ccccc32)C1 613967556 LDGBQWUFESYRBL-IBGZPJMESA-N 447.539 4.100 5 20 IIBD O=C(O)c1ccccc1C1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 615172024 COAAHDRPRPYBOV-UHFFFAOYSA-N 437.477 4.436 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 619467312 ZOPJLUVLOUBXEB-UHFFFAOYSA-N 426.878 4.379 5 20 IIBD CC[C@@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)C1CCCCC1 619532673 ZQWPHUIGSJWWMR-CQSZACIVSA-N 426.311 4.079 5 20 IIBD Cc1c(NC(=O)[C@H](C)NCC2(NC(=O)OC(C)(C)C)CCCCC2)cccc1[N+](=O)[O-] 725840282 BRYCLLQRUHCXSE-INIZCTEOSA-N 434.537 4.047 5 20 IIBD Cc1nn(CCC(=O)OCCc2cc3cc(Br)ccc3o2)c(C)c1[N+](=O)[O-] 726502292 RJHGLITXFLMCCF-UHFFFAOYSA-N 436.262 4.093 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)O[C@@H](C)C(=O)NCc3cccs3)cc2[N+](=O)[O-])C1 728943339 MOSZJFBVDMGKDF-XHSDSOJGSA-N 445.541 4.000 5 20 IIBD COc1ccc2cc(COC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)ccc2c1 731966972 VOZWUDCHOBPPAC-GOSISDBHSA-N 440.477 4.166 5 20 IIBD CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)CCNc3ccccc3[N+](=O)[O-])cc2C1 732026692 DVQOJTQETNKIIL-UHFFFAOYSA-N 440.500 4.329 5 20 IIBD Cc1ncc(/C=C\C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)s1 732756584 CFOXMAUHPFBYCT-JJEJIETFSA-N 429.498 4.001 5 20 IIBD CCOc1ccc(C(=O)OC2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)cc1OCC 739369677 JUQDZJGNZGJTII-UHFFFAOYSA-N 444.484 4.227 5 20 IIBD Cc1nc(Cc2ccccc2)sc1[C@H](C)OC(=O)CCn1nc(C)c([N+](=O)[O-])c1C 739591979 LYHRNWLXBCXVKK-INIZCTEOSA-N 428.514 4.458 5 20 IIBD CC(C)Sc1c(Cl)cccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 741656027 HARHIMLMUZVBSJ-UHFFFAOYSA-N 431.879 4.458 5 20 IIBD C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)no1 742938482 LQQULUGDVSJKFE-ZDUSSCGKSA-N 441.875 4.389 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)Nc2cc(C)cc(C)c2)c([N+](=O)[O-])cc1OC(F)F 744532900 DNRQTOWAKPJFSV-GFCCVEGCSA-N 438.383 4.006 5 20 IIBD COc1ccc(C2(C(=O)O[C@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)CCCC2)cc1 744889166 HPGVTMRBEWEOTF-CQSZACIVSA-N 430.432 4.125 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc(NC(=O)CC(C)C)ccc1Cl 745171686 GONAETNULRRIBK-UHFFFAOYSA-N 447.875 4.337 5 20 IIBD CC(C)[C@@H](CNC(=O)COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 745565158 KQDJUKFKMSWKBE-QGZVFWFLSA-N 438.402 4.326 5 20 IIBD Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 748186524 HINSITURJNPDFH-UHFFFAOYSA-N 432.274 4.154 5 20 IIBD CC[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1OCC(=O)N1CCCC1 750029961 GQJITQLGGJQWBA-KRWDZBQOSA-N 428.445 4.067 5 20 IIBD O=C(OCc1nc(-c2cccc(Br)c2)no1)c1cccc(Cl)c1[N+](=O)[O-] 750541004 LDCWDQBGFQAEPR-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c(C)c1 750616729 QZFQGKRBNLIPPW-AWEZNQCLSA-N 432.318 4.359 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)OC[C@@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)c1 751885016 OQOIJKXJNVOLGT-GOSISDBHSA-N 432.395 4.250 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)OCc2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)cc1 752218256 RDOGOFUMAAFZOF-UHFFFAOYSA-N 427.434 4.148 5 20 IIBD COCCOc1cc(C)ccc1CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 755026971 CHMJUGWBDSBTLW-UHFFFAOYSA-N 438.278 4.013 5 20 IIBD Cc1c(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)c(=O)oc2ccc(Br)cc12 755145591 JBTABFMTYPZJPO-UHFFFAOYSA-N 439.168 4.303 5 20 IIBD CCOc1cc(COC(=O)c2cc([N+](=O)[O-])ccc2Br)ccc1[N+](=O)[O-] 755552356 BIHNBIRTMORSPY-UHFFFAOYSA-N 425.191 4.021 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1ccc(Cl)c(Cl)c1 756766537 OEVVTPHFJWMLPG-SNVBAGLBSA-N 436.251 4.417 5 20 IIBD C[C@@H](OC(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 757849064 HSLTYXMCXISWCY-MRXNPFEDSA-N 447.447 4.055 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)OC[C@@H]1CC12CCOCC2 758018972 DWXAPMFWDJLQRO-FQEVSTJZSA-N 447.491 4.350 5 20 IIBD Cc1cc(F)cc(C(=O)NC2CCN(Cc3coc(-c4ccccc4)n3)CC2)c1[N+](=O)[O-] 758467743 RFHXRBVQKJCPTB-UHFFFAOYSA-N 438.459 4.092 5 20 IIBD COC1CCC(CC(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 758611449 ZPQGBNXBVLFADV-CBCUQQMYSA-N 447.513 4.184 5 20 IIBD Cc1nc([N+](=O)[O-])c(Br)n1Cc1cc(Br)cc2cccnc12 759705720 IWFBDARXGMZPHW-UHFFFAOYSA-N 426.068 4.221 5 20 IIBD Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1cc(F)c([N+](=O)[O-])cc1F 763394265 STCPRZAWCMMFRT-UHFFFAOYSA-N 427.411 4.419 5 20 IIBD O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c1 764218063 OMSFGULOTAZDGP-UHFFFAOYSA-N 430.892 4.315 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CCCCC[C@@H]2C[C@H](O)c2ccccc2)cc([N+](=O)[O-])c1 764391923 LXUUNPYLBIPWBH-IRLDBZIGSA-N 440.496 4.280 5 20 IIBD CC(C)[C@H](CCN(C)C(=O)c1ccc([N+](=O)[O-])c2cccnc12)NC(=O)OC(C)(C)C 765810794 MFJAAHFCGDLADC-KRWDZBQOSA-N 430.505 4.154 5 20 IIBD COc1cc(COC(=O)Cc2csc(-c3ccc(F)c(F)c3)n2)c([N+](=O)[O-])cc1F 766201731 QNNPFMUTAVUWDR-UHFFFAOYSA-N 438.383 4.430 5 20 IIBD COc1cc(COC(=O)c2ccc(C)c(NC(=O)NC(C)(C)C)c2)c([N+](=O)[O-])cc1F 766207385 NLRBIWKTCGEECI-UHFFFAOYSA-N 433.436 4.328 5 20 IIBD O=C(Nc1ccccc1)NC1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 769107639 WUHBNBNTNKGRJI-UHFFFAOYSA-N 433.306 4.143 5 20 IIBD COc1cc(C(=O)Nc2cccc(OC)c2F)c([N+](=O)[O-])cc1OCc1cscn1 770067039 NAFBWCQYMRDIKV-UHFFFAOYSA-N 433.417 4.039 5 20 IIBD C[C@@H](OC(=O)c1ncoc1-c1ccc(F)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 770474744 WHKXKNGAIXMGHJ-SNVBAGLBSA-N 433.779 4.226 5 20 IIBD O=C(NC[C@@H](O)c1cccnc1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 772501196 DZLLQJLORBEXFS-GOSISDBHSA-N 429.885 4.258 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc([C@@H](O)c3ccccn3)ccc2C)cc1OC 773614010 XNDXIWNRVRFCAC-JOCHJYFZSA-N 437.452 4.040 5 20 IIBD CCN(CCC1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)CC1)CC(C)C 773981867 MLXQLERUSNIXCT-UHFFFAOYSA-N 434.537 4.340 5 20 IIBD COC(=O)[C@@H]1CCC[C@H](C(=O)O[C@@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])C1 774367224 FQWYPZHRVXBZCY-YCPHGPKFSA-N 442.306 4.068 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 774911794 KGWIVGZJTAHREM-UHFFFAOYSA-N 432.502 4.081 5 20 IIBD Cn1c(SC[C@@H](O)c2ccc([N+](=O)[O-])cc2)nc2sc(-c3ccccc3)cc2c1=O 776271088 HKDSTTJMPDRALO-QGZVFWFLSA-N 439.518 4.396 5 20 IIBD CN(C)c1ccc(N(Cc2ccccn2)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1 776391925 ZBYQIZAIWWZPGO-UHFFFAOYSA-N 442.479 4.089 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nn1-c1cccc(Cl)c1 777153658 ASRJKYVRJBLLGH-LBPRGKRZSA-N 446.822 4.065 5 20 IIBD O=C(CN1CCCCCC1)Nc1cccc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c1 777975475 FUDOSAFZFXRYTQ-UHFFFAOYSA-N 446.454 4.140 5 20 IIBD C[C@H](OC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 778167017 XTEHRKUXNALYER-ZDUSSCGKSA-N 448.422 4.486 5 20 IIBD COc1cc(OC)c(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc1Br 779505789 SEAIPSXKFGNVPG-UHFFFAOYSA-N 444.669 4.350 5 20 IIBD Cn1ccc(CC(=O)Oc2ccc(Cl)cc2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1 782313499 NXBSKVGMGISUHZ-UHFFFAOYSA-N 449.250 4.036 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1[C@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)CC2 782503890 BQFVPHGCKQFOIZ-HFTRVMKXSA-N 443.504 4.180 5 20 IIBD CCOC(=O)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Br)c2ccccc21 782748197 OOOJLTGFYTWRAX-AWEZNQCLSA-N 433.258 4.055 5 20 IIBD O=C(Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])c1cccc(N2CCOC2=O)c1 782849033 IHKTWQJKARULCC-UHFFFAOYSA-N 433.420 4.383 5 20 IIBD Cc1ccccc1CN(Cc1cccnc1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 783498995 ZXXSMDBUKRUKMD-UHFFFAOYSA-N 438.871 4.119 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCCN(c2ncccc2F)CC1 784209805 XUXQQIKJHDUEEE-UHFFFAOYSA-N 449.486 4.094 5 20 IIBD CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)[C@@H](O)c1c(F)cccc1F 786415665 XYRFVFICVSPTJW-DOTOQJQBSA-N 443.244 4.186 5 20 IIBD CC(C)Cc1ccc(C(=O)C2CCN(c3ccc([N+](=O)[O-])cc3S(C)(=O)=O)CC2)cc1 786773095 QALNJBJHWGYABT-UHFFFAOYSA-N 444.553 4.296 5 20 IIBD Cc1cccc2c(O)nc(COC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])nc12 787247301 MVQLKJGTYWALSV-UHFFFAOYSA-N 445.431 4.488 5 20 IIBD CC(C)c1ccc(C(=O)N2CCC(CNC(=O)OCc3ccccc3)CC2)cc1[N+](=O)[O-] 787789387 YOWMPLMTXJIPDY-UHFFFAOYSA-N 439.512 4.497 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])O[C@@H]([C@@H]1CCCOC1)C(F)(F)F 789651168 QNWOPHKDIRAOQZ-BMIGLBTASA-N 444.328 4.316 5 20 IIBD Cc1cc(-c2noc([C@H](C)NC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])n2)ccc1F 790562486 YCPYCQHQHICYNB-JTQLQIEISA-N 436.802 4.305 5 20 IIBD COC(=O)C[C@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 790856607 CWXNRYSZJOWTGX-HNNXBMFYSA-N 429.231 4.004 5 20 IIBD COc1cccc(CN(C[C@@H]2CCCO2)C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c1 790873911 PGJSMSXMSWZNKJ-KRWDZBQOSA-N 436.867 4.146 5 20 IIBD CO[C@@H]1CCOc2c(NC(=O)c3cc(F)cc([N+](=O)[O-])c3Br)cccc21 791186037 ISWBTFBVWOWKKF-CQSZACIVSA-N 425.210 4.219 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])OCc1ccc(Cl)cc1-n1cncn1 795582209 LHHPXDOEYULSRY-UHFFFAOYSA-N 439.280 4.318 5 20 IIBD C[C@H](c1ccc(Cl)cc1Cl)S(=O)(=O)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] 797032681 NOINBUXSWUSNFA-LLVKDONJSA-N 445.324 4.386 5 20 IIBD O=C(NC[C@H]1CCCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1)OCc1ccccc1 797607246 KZUZCIRNWYHLNU-MRXNPFEDSA-N 446.891 4.419 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 800143734 KPFZGHIFAOMNRL-SNVBAGLBSA-N 426.231 4.341 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)Nc1c(F)ccc([N+](=O)[O-])c1C 800151120 FRFMHAHGHHZORK-AWEZNQCLSA-N 449.504 4.166 5 20 IIBD CC(C)(C)OC(=O)NC[C@@]1(C)CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 802655061 SOUVMGFIMYCAQJ-OAQYLSRUSA-N 432.546 4.455 5 20 IIBD CCOc1cc(N2CCC(OC(=O)C3(c4cccnc4)CCCC3)CC2)ccc1[N+](=O)[O-] 808987301 HPFVXHJDJOMELZ-UHFFFAOYSA-N 439.512 4.413 5 20 IIBD O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CC[C@H](CSc3ccccc3)C2)cc1Cl 809820726 GKEZUKNOLVMPFE-LBPRGKRZSA-N 430.910 4.190 5 20 IIBD Cc1c(NC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)ccnc1Cl 810284476 VIIGFEBCJZYFLW-UHFFFAOYSA-N 443.813 4.325 5 20 IIBD CC(C)OC(=O)Cc1nc(COC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cs1 811376156 LRQLYGFGKYIGKD-UHFFFAOYSA-N 433.269 4.209 5 20 IIBD CN1CCC(N(C[C@H]2C[C@H]3C=C[C@H]2C3)C(=O)c2cccc([N+](=O)[O-])c2Br)CC1 813273627 HTPWTRBLIMSGBL-HRCADAONSA-N 448.361 4.106 5 20 IIBD COc1cc(C(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)ccc1[N+](=O)[O-] 814231768 NEUJDIQMIMDRNM-UHFFFAOYSA-N 446.503 4.392 5 20 IIBD Cc1cc(Cl)c(C(=O)OCCN2c3cccc4cccc(c34)S2(=O)=O)cc1[N+](=O)[O-] 815407036 FDEMCSJWWWBFQW-UHFFFAOYSA-N 446.868 4.076 5 20 IIBD O=C(OCc1nc(Cc2cccc(F)c2)no1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 815512113 IOAVMVKGVBVYGI-UHFFFAOYSA-N 425.294 4.084 5 20 IIBD C[C@H](N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCCOC2=O)cc1 815635171 YHTRCUSBCSPZCR-CVEARBPZSA-N 426.473 4.009 5 20 IIBD Cc1csc(Sc2ccc(C(=O)O[C@H](C)C(=O)N3CCCCC3)cc2[N+](=O)[O-])n1 849120162 XXCYOZZXQFGFMU-CYBMUJFWSA-N 435.527 4.069 5 20 IIBD CSc1ccc(C(=O)O[C@H](C(=O)Nc2cccc(NC(C)=O)c2)C(C)C)cc1[N+](=O)[O-] 876684849 SRYYPCGUCWRWSJ-IBGZPJMESA-N 445.497 4.095 5 20 IIBD CC(C)c1ccc(-c2nc(C(=O)OCc3ccc(C(N)=O)cc3[N+](=O)[O-])cs2)cc1 900259919 JATCWJRFGBXJKT-UHFFFAOYSA-N 425.466 4.298 5 20 IIBD Cc1c(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 914744308 SDIUIFLYKBOLJD-RKDXNWHRSA-N 443.300 4.451 5 20 IIBD O=C(NCc1cc2c(s1)CCCC2)c1cc([N+](=O)[O-])ccc1I 916490038 UTDBVSKDJGTZMX-UHFFFAOYSA-N 442.278 4.070 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)CCc1nc2ccccc2o1 917205495 FAVZQDFZQBAOMB-UHFFFAOYSA-N 435.440 4.156 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 917627373 BCDQSUOPMFMLLL-UHFFFAOYSA-N 435.392 4.142 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)OCc2cncc(Br)c2)CC1 918604262 GCFDMOHFKRFIFT-UHFFFAOYSA-N 434.290 4.346 5 20 IIBD C[C@H](OC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)c1cccc([N+](=O)[O-])c1 919421453 AEIRTPKYVBJFBV-SWLSCSKDSA-N 433.258 4.015 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 919569747 SFQLTNKDECYYOV-ZDUSSCGKSA-N 444.415 4.350 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@@H](c2ccc(Cl)s2)C1 1116333655 QJTGIRCECSQJPM-IINYFYTJSA-N 430.313 4.364 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1I)c1ccc(Cl)c(F)c1 1253924217 YIZDXBYZHMQIDV-QMMMGPOBSA-N 448.619 4.483 5 20 IIBD O=C(NC1CCC(O)(C(F)(F)F)CC1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 1319613787 KZNIUKDKRRUGQX-UHFFFAOYSA-N 437.418 4.173 5 20 IIBD CCOc1cc([N+](=O)[O-])c(-c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)o2)cc1OC 1324299248 SLBPXYIJVUEFKV-ZDUSSCGKSA-N 448.476 4.167 5 20 IIBD O=[N+]([O-])c1ccc(Oc2ccc(-c3noc([C@H]4CC45CCS(=O)(=O)CC5)n3)cc2)cc1 1327276196 XWKPSSKBDCDECZ-GOSISDBHSA-N 441.465 4.119 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)C3CCSCC3)CCC2)cc1)c1ccc([N+](=O)[O-])o1 1785752970 XGGXZGSUMUXTEU-UHFFFAOYSA-N 429.498 4.079 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(F)cc([N+](=O)[O-])c4)CCC3)cc2)cn1 1787303107 LLPKDJCLEAHEAC-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD CC1(C(=O)NC2(c3ccc(NC(=O)c4n[nH]cc4[N+](=O)[O-])cc3)CCC2)CCCCC1 1789691477 IYDRGWOJMQDOMM-UHFFFAOYSA-N 425.489 4.036 5 20 IIBD C/C=C/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])[nH]n1 1821916939 KOVVSNLUMOYLCI-IXVDXBFNSA-N 435.484 4.156 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2)CC1 1829870786 KOWZZIKQKVHTIJ-DEOSSOPVSA-N 449.551 4.461 5 20 IIBD Cc1cc(Cl)cc(C(=O)N2CCCC23CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C3)c1 1846812912 WQCOYBWERZKXFC-UHFFFAOYSA-N 441.915 4.006 5 20 IIBD CCCn1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nc2cc(Cl)ccc2c1=O 9398854 PFTADSFJJVTZDZ-GFCCVEGCSA-N 446.916 4.487 5 20 IIBD COc1ccc(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1[N+](=O)[O-] 11342198 JNROACDORQBGBE-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD Cc1nc(-c2ccccc2)ccc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 16166273 RMMIEFDRAUJKJN-UHFFFAOYSA-N 425.828 4.414 5 20 IIBD Cc1c(NC(=O)/C(=C/c2cccs2)n2nnnc2-c2ccccc2)cccc1[N+](=O)[O-] 19164840 FXTLSXDYYJPXMW-UYRXBGFRSA-N 432.465 4.255 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccccc2)c1 21441443 STYIVSWOXRVQKI-MRXNPFEDSA-N 439.493 4.195 5 20 IIBD CCOc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 57429497 HNKHZFBSWXQTIN-UHFFFAOYSA-N 441.465 4.047 5 20 IIBD Cc1ccc(Cc2sc(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)nc2C)cc1 59773210 NEWNXMKXLCXFEU-UHFFFAOYSA-N 434.481 4.092 5 20 IIBD O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)N[C@H](c1ccccc1)C1CCCCC1 60825413 IXLYMNDLUVVXPD-RUZDIDTESA-N 446.507 4.256 5 20 IIBD COc1ccc(C2(CN[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)CCCCC2)cc1 63631720 WEINVYFTTXGROI-KRWDZBQOSA-N 441.528 4.431 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCn2cccc2[C@@H]1c1ccccc1 64783958 CZCSQLGQEXRKFY-VFNWGFHPSA-N 425.872 4.449 5 20 IIBD CCOc1cc(C(=O)Nc2ncc(Cc3ccccc3F)s2)c([N+](=O)[O-])cc1OC 71931077 WQKIDWMMUCIOPC-UHFFFAOYSA-N 431.445 4.441 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1ccc(COCc2ccccc2)cc1 71991028 TZGGYDQDBGMSSV-UHFFFAOYSA-N 426.494 4.099 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCCc3ccccc3C(F)(F)F)cc2)c(C)c1[N+](=O)[O-] 108819956 VPVAYCIYPSPKTP-UHFFFAOYSA-N 446.429 4.448 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CNC[C@H](c3cccc(F)c3)N3CCOCC3)cs2)c1 237769738 WFUJUUSHFFHIIU-OAQYLSRUSA-N 442.516 4.021 5 20 IIBD CC[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1cc(F)cc(Br)c1 302495276 UELHGCYFYXVFNK-CQSZACIVSA-N 431.283 4.463 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)Sc1ccc(Br)cc1 303422669 VALJIZGQQSTRLU-LLVKDONJSA-N 425.304 4.277 5 20 IIBD CC(C)c1ccc(CCCNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 303617658 CQNXEUGNXHVQCD-GOSISDBHSA-N 429.542 4.133 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C)c1ncc(C)s1 426879083 OJRPTPZCHOUYPP-ZDUSSCGKSA-N 448.526 4.342 5 20 IIBD Cc1c(NC(=O)C(=O)N2CCc3sccc3[C@H]2c2cccs2)cccc1[N+](=O)[O-] 429814483 VKRZZQHMTHZACW-SFHVURJKSA-N 427.507 4.139 5 20 IIBD Cc1cc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 435278425 GAYZGYFDXKUVMW-LJQANCHMSA-N 439.903 4.452 5 20 IIBD Cn1c(C(=O)Nc2ccc(NC(=O)c3cc(Cl)ccc3O)c(Cl)c2)ccc1[N+](=O)[O-] 436659407 OTKVBGKSOAUUKQ-UHFFFAOYSA-N 449.250 4.450 5 20 IIBD Cc1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)n([C@@H]2CCN(Cc3ccccc3)C2)n1 439278964 ACADMRVPFYYZLP-OAQYLSRUSA-N 433.512 4.036 5 20 IIBD COc1cc(C(=O)N2c3ccccc3OC[C@@H]2C)c([N+](=O)[O-])cc1OCc1cscn1 443943117 CVLHSEAIPBZFOR-ZDUSSCGKSA-N 441.465 4.067 5 20 IIBD O=C(COc1cc(Cl)c(Cl)cc1Cl)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444632823 HWUPVKJINOCRPY-UHFFFAOYSA-N 429.647 4.127 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H](C)Oc3cccc(Br)c3)n2)c1 445573559 WBUFDBNXIIEGNI-LLVKDONJSA-N 434.246 4.480 5 20 IIBD COCCN(CCCc1ccccc1)C(=O)c1sc(Br)cc1[N+](=O)[O-] 446023036 YPKYTVBCXFLIMR-UHFFFAOYSA-N 427.320 4.140 5 20 IIBD Cc1cc(I)ccc1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 446716452 IXFNZRIXYDTMQC-UHFFFAOYSA-N 437.237 4.098 5 20 IIBD Cc1ccc2c(C3=CCN(C(=O)NCc4nc5ccc([N+](=O)[O-])cc5[nH]4)CC3)c[nH]c2c1 446893341 SGYBYRBFDAKETF-UHFFFAOYSA-N 430.468 4.260 5 20 IIBD COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 446968277 WQGVDAUVYQQDBF-INIZCTEOSA-N 430.404 4.148 5 20 IIBD CCCCN(CC)Cc1cccc(CNC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)c1 447274032 YOLMWUKSOMZWLA-UHFFFAOYSA-N 436.512 4.401 5 20 IIBD Cn1c(CCNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])nc2ccc(F)cc21 447671756 RIGMLWDDOFVGDN-UHFFFAOYSA-N 433.312 4.324 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1noc(-c2ccccc2)c1Br 448537314 JNOHZPWSSRIOCC-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD COc1ccc(CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c2ccncc2)cc1 460376638 KIWGCTHHTDCPIA-UHFFFAOYSA-N 429.436 4.031 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CCOc2c(Cl)cccc21 462515029 RKUZMTAQZQTIQE-LBPRGKRZSA-N 437.688 4.357 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](c1ccc(Cl)cc1)c1ccn(C)n1 462605782 IPMAUCKTARFTAB-IIBYNOLFSA-N 426.904 4.456 5 20 IIBD O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 463693011 KCJBCCSWJZTPHK-UHFFFAOYSA-N 446.511 4.149 5 20 IIBD COCCOCc1ccc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cc1 464276197 ALTZYKYNICCOFF-UHFFFAOYSA-N 427.482 4.158 5 20 IIBD C[C@H](O)C[C@@H]1COCCN1C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 468671238 GREMAUZPYZCVIO-DZGCQCFKSA-N 436.917 4.011 5 20 IIBD CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 470694863 TVHUKEHDLYHEEY-LBPRGKRZSA-N 426.491 4.037 5 20 IIBD CCC(=O)c1ccc(Cl)c(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c1 471445799 YOUMEUZAVUJWDE-CQSZACIVSA-N 435.889 4.146 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ccc2ncccc2c1 471503923 JGHOAHXHYQXRSN-UHFFFAOYSA-N 433.390 4.073 5 20 IIBD CC[C@H](c1ccccc1)c1nnc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])s1 471516978 VQXDQFXZYGMZHC-OAHLLOKOSA-N 432.527 4.406 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCSC[C@@H]2c2nccs2)cc1[N+](=O)[O-] 472103277 CHBLOIUCXDZBCN-CYBMUJFWSA-N 428.333 4.053 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCSC[C@H]3c3nccs3)cc2[N+](=O)[O-])C1 472114342 CWQDSCHUIOBNIK-KHYOSLBOSA-N 446.598 4.464 5 20 IIBD Cc1ccc(-c2noc([C@H](C)NC(=O)NCCCCc3ccc([N+](=O)[O-])cc3)n2)cc1F 472505774 WCDFOAKGZUJKRU-HNNXBMFYSA-N 441.463 4.475 5 20 IIBD COc1c(C(=O)Nc2cc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)ccc2C)cccc1[N+](=O)[O-] 474971599 NUFSERXEEYODSI-GASCZTMLSA-N 425.485 4.282 5 20 IIBD O=C(Nc1ccc(Br)cc1OC(F)(F)F)c1cc2c(c([N+](=O)[O-])c1)OCO2 476087824 ZHPUMFJBOFDKEN-UHFFFAOYSA-N 449.135 4.237 5 20 IIBD O=C(CSc1nc2c(n1-c1ccccc1)CCCC2)N1CCc2ccc([N+](=O)[O-])cc21 477611200 ASJDTLFHNXJETM-UHFFFAOYSA-N 434.521 4.341 5 20 IIBD CN(C)CC1CCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 480968934 UGMFOFMUGRKYJQ-NRFANRHFSA-N 430.936 4.202 5 20 IIBD COC(=O)c1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1 481771159 AJCZYIFRPFOGHN-UHFFFAOYSA-N 433.464 4.266 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 482252478 BHBXHOSECPGLLG-CYBMUJFWSA-N 427.810 4.205 5 20 IIBD CN(C)C(=O)c1ccc(CNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 486865281 GBNPHZVFHPHKEH-UHFFFAOYSA-N 435.505 4.378 5 20 IIBD O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1cc([N+](=O)[O-])ccc1OC(F)F 487743183 OUYXUKCJRDHMQI-UHFFFAOYSA-N 425.351 4.158 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)c2cc3occc3s2)CC1 489551610 UMLAMUHNTYULJD-UHFFFAOYSA-N 445.522 4.113 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)NCc2ccc(N3CCc4ccccc4C3)nc2)cc1[N+](=O)[O-] 489883468 OMOMURTVSJDNDE-GOSISDBHSA-N 445.523 4.421 5 20 IIBD CC1CCN(c2ccc(C(=O)N(C)[C@@H](c3ccccc3)c3ncc[nH]3)cc2[N+](=O)[O-])CC1 492579168 KEAHKRQKCFQJTC-QFIPXVFZSA-N 433.512 4.416 5 20 IIBD O=C(NCc1cccc(OCC(F)F)c1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 494897599 ZSCXYWDWIMBADF-UHFFFAOYSA-N 433.333 4.257 5 20 IIBD CCN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@H](c1ccc(C)cc1)c1cccnc1 496493580 LRZZVVGEOOJOCH-HSZRJFAPSA-N 442.479 4.131 5 20 IIBD CCN(Cc1ccccc1Br)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 498981186 YSTCTXQLLQCYPE-UHFFFAOYSA-N 429.274 4.205 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)c2ccc(C)c(F)c2)CC1 504078008 UKXUEZUIZCKLFF-UHFFFAOYSA-N 445.516 4.143 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1[N+](=O)[O-])c1ccccn1 506010500 RQBGLPYPIDKITA-KRWDZBQOSA-N 449.486 4.264 5 20 IIBD CC(C)n1c(SC[C@@H](O)COc2cccc([N+](=O)[O-])c2)nc2cc(Cl)ccc2c1=O 508358107 IKDPEWPYTUPANF-HNNXBMFYSA-N 449.916 4.071 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1ccccc1[N+](=O)[O-] 512218311 UUGAIYGKHLODDJ-QGZVFWFLSA-N 442.516 4.237 5 20 IIBD COc1cc(F)c([C@@H](C)NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1OC 512736606 VYCQJTKOSBRUCX-SECBINFHSA-N 429.351 4.235 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCc1ccc(Br)cc1Cl 514827244 PRTTXRWVVYBKBP-UHFFFAOYSA-N 433.711 4.069 5 20 IIBD CCc1cccc2c(CCNc3cnn(-c4ccc([N+](=O)[O-])cc4)c(=O)c3Cl)c[nH]c12 517661056 HZIIRARJEFYGMT-UHFFFAOYSA-N 437.887 4.492 5 20 IIBD COC(=O)[C@@H](CC(C)C)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] 517826611 DUCWRNNRKQMNLZ-LJQANCHMSA-N 449.529 4.012 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 518281870 JVBMEWPERTVLRO-UHFFFAOYSA-N 446.872 4.005 5 20 IIBD O=C1[C@H](Nc2cccc(COCCOc3ccccc3)c2)CCN1c1cccc([N+](=O)[O-])c1 518791800 CKNKFEDHRVGYKO-XMMPIXPASA-N 447.491 4.408 5 20 IIBD CN(Cc1cccc(O)c1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 519003074 IJRIUFVNNCWMLJ-UHFFFAOYSA-N 442.475 4.354 5 20 IIBD COc1cc(C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)c([N+](=O)[O-])cc1OC 521331259 XYZSGTJJHVGKAN-INIZCTEOSA-N 438.440 4.029 5 20 IIBD CC[C@H](C(=O)OC)N(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 522718049 BMISLAXNJYODFL-GOSISDBHSA-N 425.466 4.317 5 20 IIBD NC(=O)N[C@H](CC(=O)N1CCc2c1cccc2[N+](=O)[O-])c1cccc(Oc2ccccc2)c1 523132398 XSKAKONVYGYSLO-HXUWFJFHSA-N 446.463 4.076 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)c1ccccc1SCC(=O)N1CCc2ccccc21 524348041 ZFMGJNZFWQDOMN-UHFFFAOYSA-N 447.516 4.206 5 20 IIBD CC(C)C[C@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccc(Cl)cc1 524785143 TURAWMKGWRKUCX-IBGZPJMESA-N 431.924 4.262 5 20 IIBD O=C1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CCN1Cc1cccc(F)c1 525099922 HZOAFMWGHMGZAJ-UHFFFAOYSA-N 449.438 4.011 5 20 IIBD CN1CC[C@@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 536493325 UGTGVRDTQDGWDJ-YWZLYKJASA-N 433.911 4.474 5 20 IIBD COc1cc(CN2CCOC[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OCC(F)(F)F 537648768 IXXRJFCJDFMJFO-QGZVFWFLSA-N 426.391 4.118 5 20 IIBD O=C(Nc1cccc(-c2ccc3c(c2)CCO3)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 537903795 RVHDUPILLZODRC-UHFFFAOYSA-N 427.420 4.030 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c1 539531002 YNPLRWSCHGKTLK-CQSZACIVSA-N 428.420 4.047 5 20 IIBD O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 540212711 KPKIUSJSNKFYGV-AWEZNQCLSA-N 435.811 4.092 5 20 IIBD C[C@@H](C(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1)c1ccc([N+](=O)[O-])cc1F 541692910 UGSIKXOKEAVGHZ-CQSZACIVSA-N 428.439 4.458 5 20 IIBD CCc1ccc([C@H](NC[C@H]2C[C@H](O)CN2Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)o1 543425335 SMSREAPPSQQTHX-OTNCWRBYSA-N 435.524 4.065 5 20 IIBD C[C@@H](NCCOc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)no1 543543545 GLYIHFDTWQJHCW-GFCCVEGCSA-N 433.262 4.137 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N(CCCO)Cc1cccc(Cl)c1 544674325 JTYCNGRYENMCMI-UHFFFAOYSA-N 427.682 4.036 5 20 IIBD COc1cc([C@@H](C)NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCCC(C)C 545384936 QOHSCCJXHUGCNK-MRXNPFEDSA-N 436.530 4.209 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ncc(-c2ccccn2)s1 553115456 QSDXQNCFYPCEAT-UHFFFAOYSA-N 444.494 4.021 5 20 IIBD CN1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3Cl)C2)C1 553796752 UUNQGFBQFHDJOM-QFIPXVFZSA-N 428.920 4.028 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 554856864 BRSHJGJAEQWTPG-UHFFFAOYSA-N 432.480 4.231 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCN(C4CCC4)C[C@@H](C)C3)cc2[N+](=O)[O-])n1 561533446 XETYOZFEXIPFRF-CQSZACIVSA-N 446.598 4.457 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(F)c(Cl)cc2N2CCOCC2)c1 563478371 VEHCWKVEBCQIPD-UHFFFAOYSA-N 425.869 4.198 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCN(C(=O)[C@@H](CC)c2ccccc2)CC1 563785588 BEBSGGKFQMWBEV-NRFANRHFSA-N 438.528 4.464 5 20 IIBD O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)N1CCOc2ccc([N+](=O)[O-])cc2C1 564420748 ARSBXKLIWIMYAL-MRXNPFEDSA-N 431.317 4.081 5 20 IIBD O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cc(F)c(OC(F)F)cc1F 567787149 MOAISVHVDSUIBG-UHFFFAOYSA-N 426.326 4.320 5 20 IIBD CSc1cccc(C(=O)Nc2cc(F)c(Cl)cc2N2CCOCC2)c1[N+](=O)[O-] 568931759 SROTXMFYXXFCKT-UHFFFAOYSA-N 425.869 4.198 5 20 IIBD CC[C@@H](C)NC(=O)c1ccc(NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c(C)c1 579769324 NDYZAUGDNUIYGI-OAHLLOKOSA-N 437.500 4.277 5 20 IIBD COc1ccccc1-c1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C[C@@H]1CCCCO1 583885152 CHZBSSNIRILPSG-SFHVURJKSA-N 437.500 4.067 5 20 IIBD CCc1noc(CN(c2ccc([C@H](C)CC)cc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 603680286 YPKFJCAFXLGDKX-OAHLLOKOSA-N 444.513 4.449 5 20 IIBD O=C(NCc1ccncc1)Nc1cccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 609027929 IXQYFHUTMSTADW-UHFFFAOYSA-N 425.832 4.217 5 20 IIBD COc1ccc(CSCC(=O)Nc2nnc(Cc3ccc(C)cc3)s2)cc1[N+](=O)[O-] 609381687 KEFQVBQKPWUZCI-UHFFFAOYSA-N 444.538 4.226 5 20 IIBD COc1ccc(Cc2noc(-c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)n2)cc1OC 609475660 RSBBXBIXEAXGTB-UHFFFAOYSA-N 449.467 4.114 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 609546793 CBGXOWVWBYLLSQ-UHFFFAOYSA-N 426.448 4.183 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCCC[C@H]1c1noc(C2CC2)n1 609975509 PQIIZSLSKMIURT-INIZCTEOSA-N 425.470 4.346 5 20 IIBD Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cccc1C(=O)N1CCCC1 610043511 MLLRVNHSFCNFBD-UHFFFAOYSA-N 432.274 4.154 5 20 IIBD COc1cc(C(=O)N2CCCc3cc(OC(F)(F)F)ccc32)cc([N+](=O)[O-])c1OC 610171034 ZIJSWAALJKLYPV-UHFFFAOYSA-N 426.347 4.104 5 20 IIBD CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 610641389 GSCONSZPRKGQSP-LAUBAEHRSA-N 430.549 4.177 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N2c3ccccc3CC[C@H]2C(=O)Nc2ccc(F)cc2)c1 726919532 OXVSSSGSVARCOB-QFIPXVFZSA-N 449.438 4.343 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])c(F)c1)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 728154710 OGJDIBPAVBATQG-UWVGGRQHSA-N 429.231 4.463 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2c(C)cc(C)cc2Cl)cc1SC 728650808 LBCTXDASJZRSFN-UHFFFAOYSA-N 438.889 4.391 5 20 IIBD COc1ccccc1SC[C@H](C)CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 728849382 HDWZDWAIZOHXQC-GFCCVEGCSA-N 433.486 4.287 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccc(Cl)nc2N)c2ccccc2)c([N+](=O)[O-])c1 729292183 YWKLMYCIAOSRLC-SFHVURJKSA-N 440.843 4.071 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 729814238 UHIPYRYJDILCLR-GJZGRUSLSA-N 444.484 4.239 5 20 IIBD O=C(Cn1ccc2ccc(Cl)cc21)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730703586 ODHMLNOVHOGGER-QGZVFWFLSA-N 441.871 4.051 5 20 IIBD CCNC(=O)c1cc(Cl)ccc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 731466107 YMGZHQROSFEXFL-UHFFFAOYSA-N 445.781 4.191 5 20 IIBD COc1cc(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)ccc1NC(=O)OC(C)(C)C 731753205 CZDNZHQRTMQKEE-UHFFFAOYSA-N 446.460 4.151 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1csc(-c2ccc3c(c2)OCCO3)n1 734779461 FQKFOMLIYSLSFN-UHFFFAOYSA-N 432.841 4.500 5 20 IIBD C[C@@H](Sc1ccc(Cl)cc1)C(=O)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 735337850 CZDDUDPTHXXYPJ-GFCCVEGCSA-N 436.873 4.270 5 20 IIBD O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H](Oc1ccccc1)c1ccccc1 735346807 VFHOOGYTXWVWKL-JOCHJYFZSA-N 448.431 4.256 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O[C@H]1CCN(c2ccc(Cl)cc2)C1=O 740236909 DWFOVHNHIMOXAF-DIFFPNOSSA-N 439.251 4.018 5 20 IIBD CSc1ccc(O[C@@H](C)C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 740993006 PETQNZPTGLJACB-RYUDHWBXSA-N 438.889 4.308 5 20 IIBD O=C1CC2(CCCCC2)Oc2cc(OS(=O)(=O)c3cccc(F)c3[N+](=O)[O-])ccc21 742634829 NFGWXDXLCMJOJV-UHFFFAOYSA-N 435.429 4.170 5 20 IIBD C[C@@H](OC(=O)CCOc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1cccc2ccccc12 744731167 LRNVUQRBJCWEML-IAGOWNOFSA-N 436.464 4.326 5 20 IIBD COc1ccc(OCCOC(=O)c2ccccc2-c2nc(C(C)(C)C)no2)c([N+](=O)[O-])c1 744932341 FWWUGAQEBANMEV-UHFFFAOYSA-N 441.440 4.187 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c1 745388852 JCZOEOLNQBZOOO-UHFFFAOYSA-N 439.449 4.013 5 20 IIBD C[C@H]1CC[C@@H](C)N1CC(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 746106788 QNNATTRFMKLABX-OKILXGFUSA-N 431.876 4.279 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC(N(C)CC(F)F)CC2)c([N+](=O)[O-])c1 746481354 GYVYGSXXRNFQNY-QFIPXVFZSA-N 446.498 4.244 5 20 IIBD Cc1nn(-c2ccccc2)c2ncc(C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)cc12 747092658 CLRKNWJRWBMHQL-UHFFFAOYSA-N 427.464 4.442 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)cc1[N+](=O)[O-] 747391693 UTLAYJAFTXLEAT-HZPDHXFCSA-N 445.541 4.089 5 20 IIBD O=C(OC[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 749070081 AEVKIHQVBFGCKP-CQSZACIVSA-N 436.386 4.323 5 20 IIBD Cc1c(C(=O)NCc2cccc(COCC(F)(F)F)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 749920022 ADOAYZXMETUGQY-UHFFFAOYSA-N 441.362 4.129 5 20 IIBD CC(C)(C)OC(=O)Nc1cc2c(cc1NC(=O)CCNc1ccccc1[N+](=O)[O-])OCO2 750085601 LGHCKHPFODASNZ-UHFFFAOYSA-N 444.444 4.111 5 20 IIBD O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1c[nH]cc1-c1cnn(-c2ccccc2)c1 751651034 ZMOZEIBUCOHVLK-UHFFFAOYSA-N 429.392 4.274 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N[C@@H](C)c2nc(C3CCCCC3)no2)cc1[N+](=O)[O-] 752255945 ZJYWINARTLXGND-NSHDSACASA-N 428.898 4.027 5 20 IIBD Cc1ccc(NC(=O)[C@H](N[C@@H](CCO)c2cccs2)c2ccccc2)c([N+](=O)[O-])c1 754381590 CWFVHHBCUCFSCT-GHTZIAJQSA-N 425.510 4.358 5 20 IIBD C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F 754987823 ZEINIXRXXILKSW-VIFPVBQESA-N 430.766 4.042 5 20 IIBD CCOc1ccc([C@H]2CCCN2C(=O)COC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 755059763 DQHMFKJMOFNLOO-QVKFZJNVSA-N 444.459 4.143 5 20 IIBD C[C@](O)(CC(=O)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)C1CC1 756313717 UKDVYBNLHBUBKO-CTNGQTDRSA-N 432.860 4.022 5 20 IIBD Cc1cc(C(=O)[C@H](C)OC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c(C)n1Cc1ccco1 758738816 SHRBXBSPUOJTGM-INIZCTEOSA-N 449.463 4.493 5 20 IIBD O=C(O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 759940297 DSSJHFGLWPVMHA-JKSUJKDBSA-N 443.441 4.164 5 20 IIBD CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F 762454952 XDYCLXBRGJUTCI-UHFFFAOYSA-N 425.501 4.021 5 20 IIBD O=C(OCc1csc(COc2ccc(F)cc2)n1)c1cc([N+](=O)[O-])c2nsnc2c1 762976672 WQYNYTPUKQJCCA-UHFFFAOYSA-N 446.441 4.131 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)O[C@@H]2CCO[C@H]([C@@H]3CCOC3)C2)cc1 763091370 CAVCKGVTHHIMRG-YOMUGFJLSA-N 443.452 4.137 5 20 IIBD O=[N+]([O-])c1ccc(CN(C2CC2)S(=O)(=O)c2cc3ccc(Cl)nc3cc2F)cc1 763435309 XRPAUSVZNNYEFL-UHFFFAOYSA-N 435.864 4.289 5 20 IIBD C[C@H](NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1nc2ccccc2s1 765182887 FXAFMAKNXDWLFL-VIFPVBQESA-N 442.316 4.007 5 20 IIBD C[C@H](c1ccccn1)N(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccc(N(C)C)cc1 766602439 HKJPOJJKMGXGFG-OAHLLOKOSA-N 434.452 4.193 5 20 IIBD COc1ccc(CC(=O)Oc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)cc1[N+](=O)[O-] 767082337 DEYOTFLSFLZYJH-CQSZACIVSA-N 430.457 4.337 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2c3c(nn2C)CCCC3)c2ccccc2)c([N+](=O)[O-])c1 767580132 YIFACKGEIGEPAO-JOCHJYFZSA-N 448.479 4.052 5 20 IIBD Cc1ccccc1-c1noc([C@@H](C)OC(=O)c2cc(Br)ncc2[N+](=O)[O-])n1 769835958 YBTXCQQRVWRSGG-SNVBAGLBSA-N 433.218 4.029 5 20 IIBD O=C(CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)NC[C@H](O)C1CCOCC1 771609921 DBMRXBRCQQIKRS-DEOSSOPVSA-N 429.516 4.451 5 20 IIBD Cc1cc(S(=O)(=O)N2CCC(c3c(C)[nH]c4ccccc34)CC2)cc([N+](=O)[O-])c1F 771732882 RKWPQGMZXYANPO-UHFFFAOYSA-N 431.489 4.400 5 20 IIBD CN(C(=O)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 775496057 PSFPMVXVCADJRT-CABCVRRESA-N 446.529 4.375 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)c1cccc(Cl)c1O)c1cccc([N+](=O)[O-])c1 775664983 TXRLUDFYLJJVLC-HNNXBMFYSA-N 432.860 4.196 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2coc(-c3ccccc3Cl)n2)c([N+](=O)[O-])c1 776442237 DYEVTEPZOWCROZ-UHFFFAOYSA-N 445.815 4.097 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)Nc2c(F)cc(Cl)cc2Cl)cc1[N+](=O)[O-] 777686680 FVZWXQVZXNZNTP-UHFFFAOYSA-N 438.220 4.020 5 20 IIBD CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c1 777976687 PKNLGRXMAWGMTL-UHFFFAOYSA-N 425.819 4.459 5 20 IIBD Cc1nn(-c2ccccc2)c2ncc(C(=O)O[C@@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)cc12 778322062 ZAKUOQUSIKXUMV-VQTJNVASSA-N 446.467 4.174 5 20 IIBD C[C@H](NC(=O)c1ccccc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccccc1 778683733 QQVPHOMFEYLCQP-AWEZNQCLSA-N 433.420 4.067 5 20 IIBD COc1cc(CNc2cc3c(cc2Cl)OCCO3)c([N+](=O)[O-])cc1OCC(F)F 779103447 FVRDNGPXPMRRNJ-UHFFFAOYSA-N 430.791 4.284 5 20 IIBD COc1ccc(C(=O)CC(C)(C)C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 780233560 SWIZPDWEUKXIKQ-OAHLLOKOSA-N 442.468 4.081 5 20 IIBD CCC1(C(=O)OCCOc2ccc([N+](=O)[O-])cc2C)CCN(C(=O)c2ccccc2)CC1 781472446 WSGXVVHVBNUQGM-UHFFFAOYSA-N 440.496 4.158 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 783309243 MJOSHEHWRSAEAL-NSHDSACASA-N 444.900 4.496 5 20 IIBD CN1CCCC12CCN([C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)CC2 784253589 CKUNCJRZZIWDMY-OAQYLSRUSA-N 442.947 4.488 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C(F)(F)F)c1F 788129406 VDJKYUHXZPYWLY-UHFFFAOYSA-N 440.397 4.065 5 20 IIBD COc1cccc(Oc2ccc(CNC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])cn2)c1 790541621 IGNFJMJZONOLDY-UHFFFAOYSA-N 445.834 4.442 5 20 IIBD CCOc1ccc(-c2noc(COC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])n2)cc1 790746410 RWBYNVMWSAVTLD-UHFFFAOYSA-N 435.795 4.122 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N(CCO)Cc1ccc(Cl)c(Cl)c1 790911477 PBLLIPHICISLKF-UHFFFAOYSA-N 435.666 4.258 5 20 IIBD COc1cc(CNC(C)(C)c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])cc1OCC(F)F 795221748 YGMSZLMPOUDZJZ-UHFFFAOYSA-N 425.388 4.180 5 20 IIBD CCC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2Br)c1 795630709 UKELNRWKDIJKJW-UHFFFAOYSA-N 447.694 4.404 5 20 IIBD C[C@@H](OC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1Br 796445347 XDDAURINBOQSOQ-GFCCVEGCSA-N 435.274 4.205 5 20 IIBD CC(C)(C)OC(=O)NCC[C@H]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 799738547 DODQZBYPGRTIEV-CQSZACIVSA-N 442.354 4.484 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)OCC(=O)Nc2ccc(N3CCCCCC3)cc2)c1F 803462138 FKQBCXYQCQKQAM-UHFFFAOYSA-N 429.448 4.218 5 20 IIBD CC[C@@H](C)N[C@@H](CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccco1 806367905 SMSOUPVBJJYRGL-RISCZKNCSA-N 425.283 4.201 5 20 IIBD CC[C@@H](NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)c1nc(C)cs1 806741646 LTKKPUMEDHSFFL-CQSZACIVSA-N 439.335 4.341 5 20 IIBD COc1ccccc1[C@H](NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ccco1 809827248 HYAQYRVXRTXUTL-SFHVURJKSA-N 440.836 4.057 5 20 IIBD CC(C)(C)OC(=O)NCC[C@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 809914767 NWBDPNFZGQGKKF-CYBMUJFWSA-N 426.901 4.407 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCN(c2ccccc2Cl)C1 811415102 MTVLSUSAFPQKCS-OAHLLOKOSA-N 427.844 4.473 5 20 IIBD O=C(c1ccccc1F)N1CCC(NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 811473559 DELOZGQVRNQBEM-UHFFFAOYSA-N 426.275 4.435 5 20 IIBD COCc1ncc(COC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)s1 814001444 FUMDBAADOCQPBQ-UHFFFAOYSA-N 430.438 4.356 5 20 IIBD C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 816996487 OJWSWZJQTVHXQG-APPDUMDISA-N 439.346 4.124 5 20 IIBD O=C(N1CCC2(CCN(Cc3ccccc3)CC2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 817097319 CJURWGOYZWPERH-UHFFFAOYSA-N 429.467 4.201 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(COc2ccc(F)cc2)o1 914797298 XZUQYWNSYUFTOT-UHFFFAOYSA-N 439.355 4.313 5 20 IIBD COc1ccc(NC(=O)CNc2ccc(OC)c(NC(=O)OC(C)(C)C)c2)c([N+](=O)[O-])c1 915214359 FPWZFOCQMPZDGI-UHFFFAOYSA-N 446.460 4.010 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cn(CC(C)C)c2ccccc12 919482413 SOFBWEQUIQPFEQ-OAHLLOKOSA-N 439.468 4.398 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@H](c2ccc(Cl)s2)C1 1116333653 QJTGIRCECSQJPM-HZMBPMFUSA-N 430.313 4.364 5 20 IIBD O=C(NCC1CCN(Cc2ccccc2Cl)CC1)N1Cc2ccc([N+](=O)[O-])cc2C1 1252254977 GRBPWRSBNIOJFF-UHFFFAOYSA-N 428.920 4.186 5 20 IIBD C[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)c1ccc(F)c(F)c1 1318692019 PYQZYHCPGGKLDV-GFCCVEGCSA-N 443.372 4.344 5 20 IIBD CCOc1cc(C(=O)Nc2cc(Br)ccc2OC)c([N+](=O)[O-])cc1OC 1321804086 PMNJMYPXOOYOHY-UHFFFAOYSA-N 425.235 4.026 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)C2)CC1 1324276737 KMDSRNCVOMUBKB-UHFFFAOYSA-N 436.484 4.379 5 20 IIBD O=C1Nc2ccccc2[C@@H]1C1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 1332545473 NPSCQBYSQSEGAQ-IBGZPJMESA-N 430.302 4.305 5 20 IIBD CC[C@H](O)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3C)CCC2)cc1 1786066097 XGKRPUTYKQMCSO-IBGZPJMESA-N 445.903 4.075 5 20 IIBD Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc3ccccc23)ncc1[N+](=O)[O-] 1797291187 HASNOQLWEWNZIG-REPLKXPHSA-N 444.491 4.017 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(F)c1[N+](=O)[O-])c1sccc1Cl 1800529870 QIUSZYARQRNWJK-ZSBIGDGJSA-N 437.880 4.014 5 20 IIBD CCCCC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc(C)c([N+](=O)[O-])c1)C2 1801715061 PZMMJVYKDQEYOY-AYWYSENESA-N 429.561 4.300 5 20 IIBD CC[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc([N+](=O)[O-])o3)n[nH]2)CC1 1814311326 DRNFDQQSJDCWCY-ZOBUZTSGSA-N 443.504 4.433 5 20 IIBD C/C=C(/C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CSc2ccccc2[N+](=O)[O-])[nH]n1 1821900396 AJKUMGQMRSUCOA-FUYANPBUSA-N 443.529 4.069 5 20 IIBD Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)cc1 1823679329 BFWWRJXQOBHYJV-DEOSSOPVSA-N 449.551 4.379 5 20 IIBD CC[C@H]1CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)CC1 1829835465 BUJFQGMZCTYPNW-YFVAEKQCSA-N 444.576 4.373 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/C(C)C)CC1 1832512921 VAUYOEAIUCKKBL-TYOLEZHBSA-N 445.535 4.488 5 20 IIBD CSc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] 9621275 FBXFHJUBMLOSEO-SNVBAGLBSA-N 439.287 4.263 5 20 IIBD COc1ccc([C@@H](N[C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c2ccccc2)cc1 10352048 NNKPOWMIMQVJGP-MWTRTKDXSA-N 435.480 4.318 5 20 IIBD O=C(COC(=O)c1sccc1-n1cccc1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 14173020 NEPIADNALRHHGE-UHFFFAOYSA-N 439.371 4.261 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] 16013326 VXLCKWWODVVXOL-UHFFFAOYSA-N 440.681 4.030 5 20 IIBD Cc1nc(Cc2nnc(S[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)o2)cs1 17723035 AABFUWKQBMAATO-SECBINFHSA-N 430.471 4.237 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCc1nc(-c2cccc(Br)c2)no1 18187368 GRRALXJXBIIVLH-RMKNXTFCSA-N 430.214 4.164 5 20 IIBD CCn1c(SCC(=O)c2[nH]c(C)c(C(=O)OC)c2C)nc2cc3ccccc3cc2c1=O 22178445 CQRAEHMXDGQNMA-UHFFFAOYSA-N 449.532 4.276 5 20 IIBD O=C(OCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1)c1ccc([N+](=O)[O-])s1 23545991 KNQQYQBCUUAFTN-LBPRGKRZSA-N 447.519 4.314 5 20 IIBD COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)CC3 25452968 SKSBHCDHFLSGLG-UHFFFAOYSA-N 435.461 4.276 5 20 IIBD COc1cc(CN(Cc2cccs2)C[C@@H]2CCCO2)c([N+](=O)[O-])cc1OC(F)F 27366065 MWVHQDTZSWRXIG-AWEZNQCLSA-N 428.457 4.448 5 20 IIBD Cc1cc(N2CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC2)nc(C(C)C)n1 29953562 CWNBEIBWQLHOFB-UHFFFAOYSA-N 425.533 4.077 5 20 IIBD Cn1c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nnc1-c1ccc(Cl)cc1 57516915 JHLFKPOQWYUJPR-UHFFFAOYSA-N 428.861 4.386 5 20 IIBD CCc1ccc(-c2nc(CC(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)cs2)cc1 60670048 YEDCPEDZDHYCHT-UHFFFAOYSA-N 436.537 4.172 5 20 IIBD C[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OCC(F)(F)F)cc1 63200756 NQWSZLXARBDTDX-JTQLQIEISA-N 438.811 4.229 5 20 IIBD COc1cc(C(=O)Nc2ccc(C)c3cn[nH]c23)c([N+](=O)[O-])cc1OCc1cscn1 63715932 PLKTVGOVLNGSKP-UHFFFAOYSA-N 439.453 4.076 5 20 IIBD CC[C@@H](C)C(=O)Nc1cccc(CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])c1 64113383 KOZDPVUUTVJDBG-OAHLLOKOSA-N 435.484 4.156 5 20 IIBD CCOC(=O)C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(F)cc1 64943232 PMUWWMSCQXKWAW-KRWDZBQOSA-N 443.456 4.282 5 20 IIBD Cc1ccccc1CN(Cc1cccnc1)C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C 108690081 XRQBSIMNPFPAMQ-UHFFFAOYSA-N 442.479 4.030 5 20 IIBD CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](C)c1cccc(OC)c1 113170922 RLQNTFLOLLKIGJ-ZDUSSCGKSA-N 436.306 4.388 5 20 IIBD Cc1ccc([C@H](CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])N2CCCC2)o1 116592923 FGHCOYUSPWPYCH-KRWDZBQOSA-N 441.406 4.004 5 20 IIBD CN(C)C(=O)COc1cccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c1 236963361 CAODLTFYMUKTLS-UHFFFAOYSA-N 425.510 4.080 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1F)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 247321906 LZMMDKIWBSFBEC-UHFFFAOYSA-N 427.392 4.435 5 20 IIBD CN(c1ncc(Br)cc1[N+](=O)[O-])C1CCC(NC(=O)OC(C)(C)C)CC1 301672584 GBUMTQQCYOEAFN-UHFFFAOYSA-N 429.315 4.024 5 20 IIBD O=[N+]([O-])c1ccc(N2CCCN(Cc3cn4cc(Cl)ccc4n3)CC2)c2ncccc12 301953940 KBSVGMWYQKWPIZ-UHFFFAOYSA-N 436.903 4.156 5 20 IIBD COc1cccc(Cn2nccc2NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1OC 302809284 FTGGOYTUJILYTN-UHFFFAOYSA-N 438.465 4.324 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@H](n2ncc3ccccc32)C1 426273307 FZHHQMOZZWVXKW-INIZCTEOSA-N 433.390 4.120 5 20 IIBD CC(C)(NC(=O)Nc1ccc(F)cc1I)c1ccc([N+](=O)[O-])cc1 431172956 MPSYTJZATGLUOO-UHFFFAOYSA-N 443.216 4.395 5 20 IIBD CCCc1c(NC(=O)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cnn1-c1ccccc1C 433441797 FEISHCGSDHOIRP-KRWDZBQOSA-N 449.511 4.166 5 20 IIBD COc1cccc([C@H](C)N2CCN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CC2)c1 436316362 JCKAKRHCODPTDV-SFHVURJKSA-N 441.531 4.209 5 20 IIBD CCC(C)(C)OCc1ccccc1NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 437035996 INBYLEWPHNEFAU-UHFFFAOYSA-N 439.512 4.430 5 20 IIBD O=C(NC1(c2noc([C@@H]3CCOC3)n2)CCCCCC1)c1cc(Cl)cc([N+](=O)[O-])c1 439936885 AYVPEWBYGIRUKP-CYBMUJFWSA-N 434.880 4.115 5 20 IIBD Cc1ccccc1[C@@H](CC(F)(F)F)NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 443980559 NBYZNRYSOPZYDD-OAHLLOKOSA-N 439.415 4.423 5 20 IIBD O=C(Cc1noc(-c2c[nH]c3cc([N+](=O)[O-])ccc23)n1)Nc1cccc(C(F)(F)F)c1 445199216 QZERUUAZQABPBH-UHFFFAOYSA-N 431.330 4.326 5 20 IIBD CSc1cccnc1-c1noc(-c2ccc([N+](=O)[O-])cc2I)n1 445611508 BPNDFMPLWVDWRU-UHFFFAOYSA-N 440.222 4.033 5 20 IIBD O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 446268704 GGPLAXODRWHLIK-HNNXBMFYSA-N 449.276 4.160 5 20 IIBD C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 447023500 NHQHTOKJXUTVGE-DGCLKSJQSA-N 443.294 4.063 5 20 IIBD CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2I)c2ccccc2O1 460622992 UTHVYGPPWILRTL-LBPRGKRZSA-N 438.221 4.017 5 20 IIBD Cc1cccc(NS(=O)(=O)c2cc(NC(=O)Cc3cccc([N+](=O)[O-])c3)ccc2C)c1 460813349 OEXFEIXHFKSWMX-UHFFFAOYSA-N 439.493 4.194 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 462437870 BRUHEQCGNLHDBM-HNNXBMFYSA-N 437.327 4.214 5 20 IIBD COCC[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 462762609 NPHHKAZCBMXEEP-MRXNPFEDSA-N 436.917 4.277 5 20 IIBD CN(CCc1cccs1)C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 464343896 UARQJVVBYCWBJK-UHFFFAOYSA-N 425.297 4.464 5 20 IIBD Cc1ccc(-n2nc(N[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2C)cc1 466758323 YPTARJAAJVINGG-AWEZNQCLSA-N 447.417 4.855 5 20 IIBD CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1cccc([N+](=O)[O-])c1N 468699953 LXVLCWXRWFIAIP-UHFFFAOYSA-N 425.464 4.191 5 20 IIBD COC(=O)c1nc([C@H]2CCCN2C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)sc1C 473549202 JTCFFXUMZRBIDD-LJQANCHMSA-N 447.516 4.210 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@@H](C)c3n[nH]c(C(C)C)n3)cc2[N+](=O)[O-])n1 477292235 BKWBBTIRMYBZSW-NSHDSACASA-N 432.531 4.243 5 20 IIBD CCc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(O)(Cc2ccc(F)cc2F)C3)cc1[N+](=O)[O-] 478506352 QRTSSHDYBCWSFC-OALUTQOASA-N 430.451 4.176 5 20 IIBD CCOc1cc2c(cc1OCC)CN(C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])CC2 481991351 KWWKPZRHKGPEQZ-UHFFFAOYSA-N 446.525 4.321 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F 483251680 FDZITKYUJZCEIZ-KRWDZBQOSA-N 445.825 4.227 5 20 IIBD Cc1c(NC(=O)CCN[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)cccc1[N+](=O)[O-] 483253386 KONUUCXUDFJULV-MRXNPFEDSA-N 445.825 4.227 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](c1ccc(F)cc1)c1cnn(C)c1 483344773 QZTUCCVKDPRSSM-OAQYLSRUSA-N 425.464 4.177 5 20 IIBD C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 485436620 XQKUECSHTIGDKM-SNVBAGLBSA-N 429.782 4.425 5 20 IIBD CCOC(=O)c1ccc(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1 485750398 ODOXQWQKLVJDFQ-UHFFFAOYSA-N 434.448 4.281 5 20 IIBD CCOC(=O)c1csc([C@H]2CCCN2C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 486734660 KCRPUWUTSLPSCU-CYBMUJFWSA-N 443.403 4.224 5 20 IIBD CC(C)c1c(NC(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cnn1-c1ccccc1 487755904 OJNBWSQYYWOGJH-UHFFFAOYSA-N 447.495 4.034 5 20 IIBD O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1ccn(-c2ccccc2[N+](=O)[O-])n1 488610694 ONGBUOOVXIFRFX-UHFFFAOYSA-N 440.309 4.236 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1cn(C)nc1C(F)(F)F 489030313 GLITXHGLBABHDT-UHFFFAOYSA-N 430.452 4.367 5 20 IIBD CCn1c(S[C@H](C)C(=O)c2ccc(NC(C)=O)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 489425966 AMHSIFCEPDZTEV-CYBMUJFWSA-N 439.497 4.195 5 20 IIBD O=C(CCSCc1nc(O)c2ccccc2n1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 497576833 SSMPBSNZDNHQCF-UHFFFAOYSA-N 438.509 4.058 5 20 IIBD O=C(CC1CCCC1)NC1CCC(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 498134380 GRSUSZNYRLZVSV-WFHLNLCJSA-N 445.585 4.424 5 20 IIBD O=C(Cc1cc(F)ccc1Br)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 498159449 NOQVKEOLFUBJLJ-QGZVFWFLSA-N 425.279 4.313 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(NC(=O)c2cccnc2)cc1 499648646 NFYRHJGDVJHPPV-HNNXBMFYSA-N 436.493 4.039 5 20 IIBD COc1cc(CSc2nnnn2C2CCCCC2)c([N+](=O)[O-])cc1OCC(F)F 502848929 LBNIZMUNXKMKHC-UHFFFAOYSA-N 429.449 4.031 5 20 IIBD CC(C)Oc1cc(CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C2CC2)ccn1 503564783 FCWFAXYYAYNTMJ-UHFFFAOYSA-N 434.290 4.344 5 20 IIBD CCCN(C(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)[C@@H](C)CC(=O)Nc1ccccc1 504226999 DWYQWAFGGCLENO-HNNXBMFYSA-N 436.468 4.118 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 506197857 BONLYBFVZSFXRD-INIZCTEOSA-N 446.504 4.272 5 20 IIBD COc1ccc(-c2nc(C)c([C@@H](C)NS(=O)(=O)c3c(C)cccc3[N+](=O)[O-])s2)cc1 506252764 FMOGDYMFFOXKBG-CQSZACIVSA-N 447.538 4.383 5 20 IIBD C[C@@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(c1ccccc1)c1ccccc1 515467357 JBOGYOYVZPIEBZ-LJQANCHMSA-N 445.523 4.042 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc3nc(-c4cccc(F)c4)[nH]c3c2)cc([N+](=O)[O-])c1 515617999 LJAJBLWDPQOSFV-UHFFFAOYSA-N 434.383 4.316 5 20 IIBD COc1ccc(CN2CCC[C@@H]3CN(C)CC[C@H]32)cc1OCc1ccc([N+](=O)[O-])cc1 516686130 QPGPQEMOCARUQU-IFMALSPDSA-N 425.529 4.099 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN(CCCO)Cc3ccc(Cl)c(Cl)c3)o2)cc1 520265036 IUBAWXYVHRAFEW-UHFFFAOYSA-N 437.283 4.336 5 20 IIBD CN(C)CCn1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)n1 523716679 KJMNNHDXQHYCLB-UHFFFAOYSA-N 445.932 4.410 5 20 IIBD O=C(NCC(=O)N(Cc1ccc2ccccc2c1)C1CC1)c1c(Cl)cccc1[N+](=O)[O-] 524613718 GVNFXMKRVOEWHG-UHFFFAOYSA-N 437.883 4.322 5 20 IIBD CC(C)(C)C[C@H](NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1 525023512 ATJBPFYLMGKDML-INIZCTEOSA-N 431.876 4.450 5 20 IIBD CSc1cccc([C@@H](NC(=O)c2c([N+](=O)[O-])c(C)nn2C)c2cc(F)ccc2F)c1 525209050 WODGPIAFVWZRPF-QGZVFWFLSA-N 432.452 4.156 5 20 IIBD COc1cc(CN(C)[C@@H](C)c2ccc([S@](C)=O)cc2)c([N+](=O)[O-])cc1OC(F)F 530865816 IFKDTMYEAKCYPM-AOAWJKDVSA-N 428.457 4.135 5 20 IIBD O=C(c1ccc(Oc2ccccc2Cl)nc1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 531072853 VOFNDASFPTYBJT-HNNXBMFYSA-N 439.859 4.157 5 20 IIBD COc1c(Br)cc(Cl)cc1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 531148553 XCVVKHRCEFIDAZ-UHFFFAOYSA-N 440.681 4.021 5 20 IIBD CCc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)noc1-c1ccc(Cl)s1 534498391 ODMDUVBVMAROKM-UHFFFAOYSA-N 443.890 4.337 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC2CCCC2)nc1 534950244 XHJMAEQTFNYWEZ-UHFFFAOYSA-N 445.497 4.219 5 20 IIBD CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)ccc1Cl 535259176 BSUOGCFFKQIGHY-UHFFFAOYSA-N 446.312 4.184 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 538781818 YIRFMLWOPQABRT-GOSISDBHSA-N 435.480 4.301 5 20 IIBD CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 538902580 AAUCLJNZPKGQPE-APPDUMDISA-N 430.354 4.181 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CC(=O)O)c1ccc(Cl)c(F)c1 540712196 JWBCIKWAWSCOFC-MGPLVRAMSA-N 426.853 4.200 5 20 IIBD CC[C@H]1Oc2cc([C@@H](C)NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])ccc2NC1=O 541262527 MONAHZGHLKGWFG-BDJLRTHQSA-N 449.916 4.327 5 20 IIBD C[C@H](c1nc(-c2cccs2)no1)N1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 541999569 LOXHHLPOSGTRPH-CYBMUJFWSA-N 433.921 4.239 5 20 IIBD O=C(NCc1cccc(NC(=O)c2ccc(F)cc2)c1)Nc1ccc([N+](=O)[O-])cc1F 542719403 JMOAJFXAHKFTAB-UHFFFAOYSA-N 426.379 4.447 5 20 IIBD COc1cc(CN[C@@H](CO)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])cc1OC(F)F 543806809 CEIHGJQNRVTMKU-ZDUSSCGKSA-N 436.333 4.047 5 20 IIBD COCC[C@@H](N[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(C)o1 544473405 KNYJLMKFDQXRDX-WMLDXEAASA-N 444.513 4.314 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)c1 544640562 XJFYFZVQRZLPGN-INIZCTEOSA-N 445.541 4.335 5 20 IIBD CCN([C@@H](c1cccnc1)c1ccc(F)c(C)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 545467781 BKNYONHOECOBQT-OAQYLSRUSA-N 429.473 4.238 5 20 IIBD COc1ccccc1COC1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 546536456 FLEDXZCHQCNWAE-UHFFFAOYSA-N 430.476 4.228 5 20 IIBD O=C(NCCc1cccs1)C1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 549898291 BSQWVMZWLQWNKR-UHFFFAOYSA-N 441.475 4.246 5 20 IIBD O=C(c1ccccc1Sc1ccccc1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 554677137 MEBPHIIOONVSAK-UHFFFAOYSA-N 447.516 4.344 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3cc(Br)ccc3Br)n2)nc1 554816726 RJOMRHFQLCJYSE-UHFFFAOYSA-N 440.051 4.156 5 20 IIBD C[C@H](CN[C@H](c1cccc([N+](=O)[O-])c1)c1nccn1C)Oc1ccc(Br)cc1 556870707 IKWAUJCHTPIVJQ-AUUYWEPGSA-N 445.317 4.237 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NCc2ccncc2OCc2ccccc2)c([N+](=O)[O-])c1 557681573 BDYARGLJDUSMBW-UHFFFAOYSA-N 443.463 4.145 5 20 IIBD O=[N+]([O-])c1ccccc1OCc1nc(Cc2c(F)ccc(Br)c2F)no1 559989180 JFBSKMZRMIIWPS-UHFFFAOYSA-N 426.173 4.188 5 20 IIBD C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1cc(F)c(F)cc1Br 560582075 YNUICMGUCAPZJY-SNVBAGLBSA-N 428.233 4.142 5 20 IIBD Cc1cc(C(C)(C)NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1Br 568804479 YSPPBSSIUISEGJ-UHFFFAOYSA-N 427.320 4.020 5 20 IIBD COc1ccc(CNCC2(SC)CCN(C)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 569276501 DOCUJXRCZQATGL-UHFFFAOYSA-N 445.585 4.099 5 20 IIBD Cc1ccc2nc([C@@H]3CCCN(c4ccc([N+](=O)[O-])c(N5CCOCC5)c4F)C3)[nH]c2c1 571726017 NPFTZDLZQPHFNT-MRXNPFEDSA-N 439.491 4.139 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NC[C@H]2CCC[C@@H](CO)C2)cc1[N+](=O)[O-] 575153991 LBEKKXQBYDVHFB-JKSUJKDBSA-N 442.537 4.076 5 20 IIBD CC(C)(NC(=O)c1ccccc1)c1noc(-c2ccc([N+](=O)[O-])cc2Br)n1 578469447 KPTTVUBCZBCRKN-UHFFFAOYSA-N 431.246 4.072 5 20 IIBD O=C(N[C@@H](c1cccc(F)c1)C1CCCC1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 579634375 UZXIELBKGREXOW-JOCHJYFZSA-N 439.487 4.273 5 20 IIBD COCC[C@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 579867451 LYQVZORWUNBXBJ-SFHVURJKSA-N 447.340 4.141 5 20 IIBD CC(C)(C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl)c1ccccc1[N+](=O)[O-] 580508910 HEOZCEWHDNNIKS-UHFFFAOYSA-N 430.814 4.168 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(=O)N[C@H]1CCCC1(F)F 588741550 KFCADAQBHQVLLN-ZDUSSCGKSA-N 427.454 4.050 5 20 IIBD CSCc1nnc(S[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)o1 589041225 LCPNLUPZYJRWJS-VIFPVBQESA-N 437.528 4.084 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O 590537320 GHUXDVSAEREIBJ-SUMDDJOVSA-N 443.466 4.348 5 20 IIBD COc1ccccc1[C@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])N1CCCCC1 603871477 BDZDGNQUHZRBBB-QFIPXVFZSA-N 438.528 4.135 5 20 IIBD CNC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1Cl 604013643 ZKJQCDHQGFMZCX-UHFFFAOYSA-N 438.871 4.472 5 20 IIBD CCN(CC)[C@@H](CNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1Cl 604105502 QEFOPLONIVMOSZ-IBGZPJMESA-N 434.924 4.139 5 20 IIBD Cn1cc(C(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 604336932 VUXLZHUHYVKOLW-GOSISDBHSA-N 429.480 4.496 5 20 IIBD C[C@H](NC(=O)c1ccc(I)cc1Cl)c1cccc([N+](=O)[O-])c1 609057477 IQONQAITNVXAPE-VIFPVBQESA-N 430.629 4.344 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1c(-n2cccc2)sc2c1CCSC2 609455075 ZJXLCYGVXUHKJR-UHFFFAOYSA-N 429.523 4.045 5 20 IIBD CCCOc1ccc(O[C@H]2CCCC[C@H]2NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)cc1 609726594 QWVPORIJRCTDPH-RTWAWAEBSA-N 444.532 4.093 5 20 IIBD COc1cc(CN2CCCC[C@@H]2c2noc(C3CC3)n2)c([N+](=O)[O-])cc1OCC(F)F 611518185 VUEKMEUDPVKHMB-CQSZACIVSA-N 438.431 4.235 5 20 IIBD Cn1c(SCC(=O)c2ccc3c(c2)Cc2ccccc2-3)nc2cc([N+](=O)[O-])ccc2c1=O 613000132 XCFOXRBELASXIZ-UHFFFAOYSA-N 443.484 4.388 5 20 IIBD COC1CCN(CCNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC1 613512094 LLJQGGOUSLIIAJ-UHFFFAOYSA-N 449.960 4.240 5 20 IIBD Cc1cc(OCC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] 619526793 KENXMIIQMMPKAR-GDNZZTSVSA-N 428.329 4.308 5 20 IIBD CCc1cccc[n+]1/C(C(=S)Nc1cnn(CC)c1)=C(/O)c1ccc(C)c([N+](=O)[O-])c1 726180046 UUOJSPBNLAGMMQ-UHFFFAOYSA-O 438.533 4.293 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)N[C@H](C)c2ccccc2C)cc1SC 728655586 CZNKXAFQROCPBX-KGLIPLIRSA-N 432.498 4.056 5 20 IIBD COc1cc(C(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)ccc1OCC(C)C 729193486 VAPDTLPPNWBDHW-UHFFFAOYSA-N 443.500 4.107 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1C 730688628 HWMYILMMZSXUDJ-LLVKDONJSA-N 445.324 4.202 5 20 IIBD CNC(=O)c1ccc(COC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)cc1 731369924 AEQQRODJMGDWHI-UHFFFAOYSA-N 443.506 4.228 5 20 IIBD Cc1cc(S(=O)(=O)Oc2cccc3ccc(N4CCCCC4)nc23)ccc1[N+](=O)[O-] 734495001 MLKMXMZHALTRGH-UHFFFAOYSA-N 427.482 4.209 5 20 IIBD C[C@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 741924527 FBLUOOXVTBEWBX-RBZFPXEDSA-N 425.913 4.452 5 20 IIBD O=[N+]([O-])c1ccccc1OS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 742267703 KWMLBMPAEWCNPF-UHFFFAOYSA-N 426.166 4.144 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@H]3CCSc4ccccc43)CC2)ccc1[N+](=O)[O-] 744175541 SXJWSLQWLYTOSY-SFHVURJKSA-N 428.510 4.395 5 20 IIBD C[C@@H](OC(=O)C(C)(C)c1ccc(Br)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 744757083 ILFNDRJDTJYTEA-GFCCVEGCSA-N 435.274 4.205 5 20 IIBD O=C(COC(=O)c1cc(OCc2ccccc2)ccn1)Nc1ccc(Cl)c([N+](=O)[O-])c1 745646003 TVNSMFJMRFIUMJ-UHFFFAOYSA-N 441.827 4.018 5 20 IIBD CC(C)CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cc1 745982253 ILFLQMCWNYOYDP-OAHLLOKOSA-N 429.448 4.150 5 20 IIBD C[C@H](CC(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)c1cccc(F)c1 746084940 AHZNDDRKFHRAPD-VXGBXAGGSA-N 436.823 4.167 5 20 IIBD O=C(NC[C@H]1CCCN(Cc2cccs2)C1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 747442831 HHUZPFLOLMHJDR-GOSISDBHSA-N 442.585 4.289 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1nnn(-c2cccc(F)c2)c1C(F)(F)F 748610792 SIJTUXMJHKPLKS-UHFFFAOYSA-N 429.717 4.239 5 20 IIBD O=C(Nc1cc(F)c(I)c(F)c1)c1cc([N+](=O)[O-])ccc1Cl 749152097 ZTNPZCDASLCBRG-UHFFFAOYSA-N 438.555 4.383 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1[N+](=O)[O-] 752236375 UVCDFSDUKRDHTK-UHFFFAOYSA-N 427.866 4.064 5 20 IIBD Cc1ccc(-c2csc(NC(=O)COC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)n2)cc1 756764663 AZQTVBNSIHIUFR-UHFFFAOYSA-N 436.449 4.304 5 20 IIBD CN(C)CCNC(=O)Cn1cc(NCc2c3ccccc3c(Cl)c3ccccc23)cn1 757910629 NRVZYBFOCVAARD-UHFFFAOYSA-N 435.959 4.133 5 20 IIBD CCOC(=O)/C=C\c1ccc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 759316499 NTEHKAVMAWIOKH-ZROIWOOFSA-N 448.479 4.285 5 20 IIBD COc1ccc(CC(=O)OCc2cc(Br)cc3cccnc23)cc1[N+](=O)[O-] 759884350 DKSNJVWOXOIINI-UHFFFAOYSA-N 431.242 4.200 5 20 IIBD CSCc1nc2ccccc2n1CC(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760486318 UNXKYYOLKZEXEB-UHFFFAOYSA-N 438.465 4.206 5 20 IIBD COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c(OCC(F)(F)F)c1 764237439 YVBFDITXTQTVHG-UHFFFAOYSA-N 432.738 4.228 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C 764280005 USOVYJZDWXTBBU-ZBFHGGJFSA-N 435.546 4.321 5 20 IIBD CN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 765161500 VCELGEUQAAHDTR-MRXNPFEDSA-N 425.304 4.055 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 765524359 KOEBWTRTUOBLMK-MJGOQNOKSA-N 439.512 4.334 5 20 IIBD O=C(COC(=O)/C=C\SCc1ccco1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 767383966 HXZFXFFGDQQDLZ-ALCCZGGFSA-N 430.360 4.135 5 20 IIBD O=C(CCCc1ccccc1Br)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 767684428 XKTJTFSNCLNEGL-UHFFFAOYSA-N 446.257 4.473 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CN3CCn4c(CCc5ccccc5)nnc4C3)cs2)c1 769488708 JZHMRBLPHPCTLO-UHFFFAOYSA-N 446.536 4.111 5 20 IIBD CCc1nc2c(s1)[C@@H](N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C)CCC2 769906493 RICRAPPJBRDJAK-ZDUSSCGKSA-N 429.951 4.274 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N1Cc2ccc(Br)cc2C1 770732971 RHARFMNHOHXELT-UHFFFAOYSA-N 432.093 4.337 5 20 IIBD O=C(COC(=O)[C@H]1CCCc2sccc21)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 771423527 YDDKMNUZHIYRPJ-LBPRGKRZSA-N 428.388 4.277 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Oc1cnc2ccc(Br)cc2c1 772992377 VPRGNDPUAWFVSK-UHFFFAOYSA-N 443.662 4.327 5 20 IIBD CC(C)(C)OC(=O)N[C@H](CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])C1CC1 774678456 VFAQKBKYGCYUHO-LLVKDONJSA-N 440.369 4.359 5 20 IIBD O=C(O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)c1csc(COc2ccc(F)cc2)n1 778785895 JIAXNKWMVYWWDX-SFHVURJKSA-N 443.456 4.205 5 20 IIBD O=Cc1ccc(OCC(=O)Nc2ccc(Oc3ccc(Cl)cc3)cn2)c([N+](=O)[O-])c1 779281218 JAAMKCNGWVYLFC-UHFFFAOYSA-N 427.800 4.266 5 20 IIBD COc1cc([C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C(F)(F)F)cc(OC)c1OC 779453242 YKVWTSAVMHWVQJ-INIZCTEOSA-N 448.781 4.307 5 20 IIBD COc1cccc(-n2nc(C)c([C@H]3COCCN3c3c(F)cc([N+](=O)[O-])cc3F)c2C)c1 779607984 GEAGHXVVYNKHCK-HXUWFJFHSA-N 444.438 4.262 5 20 IIBD O=C(OCc1nc(-c2ccccc2)no1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781258122 OWQAWZMKYHLQHU-UHFFFAOYSA-N 433.370 4.367 5 20 IIBD COC[C@H](C)n1c(C)cc(C(=O)COC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1C 781259271 CGBOUHKJGOPZQK-INIZCTEOSA-N 446.503 4.347 5 20 IIBD CCOC(=O)c1c(C2CC2)csc1NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781560531 FJHYOIQTACGFJS-UHFFFAOYSA-N 433.442 4.190 5 20 IIBD C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 781625792 JTZFGLPVMFSSDW-HNNXBMFYSA-N 440.456 4.089 5 20 IIBD NC(=O)c1cc(N2CCCCC2)ccc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 783854772 AZWGYMFNWCQAIP-UHFFFAOYSA-N 448.932 4.068 5 20 IIBD C[C@H]1C[C@@H](C)CN(C(=O)[C@H](C)OC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 784838463 QYJBZOVCJUENLD-MJBXVCDLSA-N 442.462 4.009 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 785381261 MSVIALDVNRTPQB-UHFFFAOYSA-N 447.753 4.261 5 20 IIBD C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccccc1C(F)(F)F 786743548 USSUAYCWKJUHDX-VIFPVBQESA-N 436.795 4.068 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Br)cnc1Cl 787953311 IQMIXVKQAYREQZ-UHFFFAOYSA-N 446.710 4.397 5 20 IIBD CCc1[nH]nc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c1Br 790841907 QJQHVCMAQKOKRR-UHFFFAOYSA-N 436.310 4.131 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc(C)c1F 790915977 YQCAKJQFDLWEBC-APPDUMDISA-N 425.254 4.311 5 20 IIBD COc1ccccc1C/C(C)=C\C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791246697 YCGBFNUECKNCPH-OWBHPGMISA-N 445.313 4.440 5 20 IIBD COc1cc(C(=O)Oc2ccc(-c3noc([C@H]4CCCO4)n3)cc2)cc([N+](=O)[O-])c1C 791800603 UHUYWUZNSSUXAU-QGZVFWFLSA-N 425.397 4.033 5 20 IIBD COC(=O)c1cc(NC(=S)NCc2cccc(C(F)(F)F)c2)c(C)c([N+](=O)[O-])c1 792686633 LPPMBWXIGSIILZ-UHFFFAOYSA-N 427.404 4.195 5 20 IIBD COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c(C(F)(F)F)c1 795303707 PMVBFDDMELRGGO-UHFFFAOYSA-N 428.747 4.216 5 20 IIBD CC(C)c1[nH]nc(C(=O)O[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 796254336 GNQGKUCYCNQCRW-UWVGGRQHSA-N 443.287 4.171 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CN(Cc3ccccc3)C[C@H](O)c3ccccc3)n2)cc1 796356187 IUIMHZDGEQGVSX-QFIPXVFZSA-N 430.464 4.381 5 20 IIBD O=[N+]([O-])c1ccc(F)cc1CN[C@H](CO)c1ccc(Br)cc1C(F)(F)F 796575137 VLYKMLWBRCPSQJ-CQSZACIVSA-N 437.187 4.338 5 20 IIBD CC(C)N(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccc(CC(=O)N(C)C)cc1 799448440 QPDMFJSDVOQPKR-UHFFFAOYSA-N 448.317 4.043 5 20 IIBD Cc1ccccc1-c1nnc(N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)n1C 800765574 GLLJFUQHTSAIJT-UHFFFAOYSA-N 446.433 4.044 5 20 IIBD CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 804323600 GNZJDIVAKOHXOQ-UHFFFAOYSA-N 428.798 4.191 5 20 IIBD O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1nc2ccccc2cc1Cl 810561883 ASHWIAALMRHHLN-UHFFFAOYSA-N 426.860 4.265 5 20 IIBD O=C(NC[C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1)C(F)(F)F 811515084 VKNPPKGFYVFXQT-CYBMUJFWSA-N 427.448 4.214 5 20 IIBD COC(=O)c1ccc(Cl)c(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)c1 812908576 NLPRXUFUZIJRED-UHFFFAOYSA-N 430.766 4.240 5 20 IIBD CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](COC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 813158414 BINJYFYJHJCJSM-ZDUSSCGKSA-N 439.415 4.125 5 20 IIBD O=C(O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)c1ccccc1NCc1cccnc1 813172426 LRFWIKMURIETEZ-NRFANRHFSA-N 432.480 4.033 5 20 IIBD CCCc1nc(C)c(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)o1 814327481 MMZLKUXJVVPJEH-KRWDZBQOSA-N 429.473 4.086 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 817209008 ARQVLPWEWGFZKY-LJQANCHMSA-N 445.560 4.413 5 20 IIBD O=C(OCc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 904219210 BUEFQNQQJHXRBT-LLVKDONJSA-N 427.215 4.137 5 20 IIBD O=C(C[C@@H]1OC(=O)c2ccccc21)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 909759442 QRGATYRUEXDSOD-FQEVSTJZSA-N 432.388 4.054 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NCc1cccc(CN2CCCC2)c1 914787260 INZKNGBZEVSOOO-UHFFFAOYSA-N 443.447 4.096 5 20 IIBD COc1cc(C(=O)Nc2ccc(N3CCCC3)c(F)c2)c([N+](=O)[O-])cc1OC(F)F 917783620 JHNJMVUHEHQQAY-UHFFFAOYSA-N 425.363 4.196 5 20 IIBD C[C@@H](c1ccccc1Cl)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 917923216 SZWMAHLGFNSVTH-JTQLQIEISA-N 433.711 4.392 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@H](C)Oc1cccc(C(C)(C)C)c1 919406126 DVFSBFZWNLPHHO-GJZGRUSLSA-N 444.484 4.239 5 20 IIBD CC[C@H]1CCCCN1C(=O)COC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 920543738 AHBBJMYMUFOIJF-WMZOPIPTSA-N 440.500 4.111 5 20 IIBD C[C@H](OC(=O)CC(C1CC1)C1CC1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 1318007009 BUPCRXPMJQEMFS-LBPRGKRZSA-N 429.498 4.415 5 20 IIBD C[C@@H](Sc1ccc(S(=O)(=O)C(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 1318911180 GVOTUBRMQZFDJP-SNVBAGLBSA-N 434.417 4.008 5 20 IIBD O=C(COC(=O)c1csc(-c2ccco2)n1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1322451040 WOLIYBJNVSYPRX-UHFFFAOYSA-N 441.343 4.126 5 20 IIBD O=C1CC[C@@]2(c3ccc(F)cc3)SC[C@H](c3nnc(-c4cccc([N+](=O)[O-])c4)o3)N12 1325763446 UYRSXUOIHYUNMR-UZLBHIALSA-N 426.429 4.047 5 20 IIBD CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 1520129629 QXSPNCCBDXKONH-IBGZPJMESA-N 434.443 4.182 5 20 IIBD C/C=C(/C)C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])c4c3OCO4)CCC2)cc1 1791225610 FWIFXCNXZWJDBQ-BNNQUZSASA-N 437.452 4.037 5 20 IIBD O=C(/C=C/C1CCCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1cccc([N+](=O)[O-])c1 1793940809 SGWJHCIBGNJVLE-NMQCSMITSA-N 439.556 4.302 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1cccc([N+](=O)[O-])c1)c1ccccc1C1CC1 1793945428 LHAPDNSNGMDXCE-WKCHPHFGSA-N 447.535 4.357 5 20 IIBD CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)cc1 1829834621 QOEBEGXTFDPYNY-NRFANRHFSA-N 438.528 4.032 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CC3(CCCN3C(=O)Cc3cccc([N+](=O)[O-])c3)C2)s1 1841003519 IRUDDAKWFOMBHN-UHFFFAOYSA-N 441.553 4.014 5 20 IIBD CC[C@H]1CC[C@H](C(=O)N2CC3(CCCN3C(=O)Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 1841331604 JIAWGQKFDVNPLC-QAQDUYKDSA-N 447.963 4.211 5 20 IIBD CC[C@H](C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1)c1ccccc1 1847058870 VNRVQMGOZBUQAT-ARKBFRDHSA-N 433.508 4.005 5 20 IIBD COc1ccccc1-n1nnnc1Sc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] 15130809 KPEHFSKAOVRRDV-UHFFFAOYSA-N 431.783 4.403 5 20 IIBD CCOc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 16506558 MMWQGHKHPWLZQF-UHFFFAOYSA-N 441.465 4.047 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])Nc1cc(-c2nnc3n2CCCCC3)ccc1Cl 22498537 ZIKXPWSQAMXTEZ-UHFFFAOYSA-N 441.875 4.251 5 20 IIBD COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)Cc1ccccc1[N+](=O)[O-])CC2 24445152 KWSNKAQWAOUNTD-QHCPKHFHSA-N 438.505 4.390 5 20 IIBD O=C(OCC(=O)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1)c1ccc([N+](=O)[O-])o1 24458846 IHJFJJYBAGWYBM-OAHLLOKOSA-N 449.375 4.062 5 20 IIBD COc1cc(C(=O)Nc2nnc3ccccn23)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 31739556 JMAADKOXNVOXNR-UHFFFAOYSA-N 439.815 4.344 5 20 IIBD COc1ccccc1[C@H](CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)N1CCCCC1 59782498 QTQHCIQNQQYQPO-UTKZUKDTSA-N 443.569 4.427 5 20 IIBD CCCOc1cc(NC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)c([N+](=O)[O-])cc1OCCC 63285500 FLAQVUAKCUGWFZ-INIZCTEOSA-N 449.548 4.396 5 20 IIBD COC(=O)C1(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)CCCC1 105778360 TUTXNQCPRGQUAZ-UHFFFAOYSA-N 448.859 4.265 5 20 IIBD O=C(COC(=O)c1ccccc1Oc1cccnc1)Nc1cc(Cl)ccc1[N+](=O)[O-] 116777971 NPAPKKUXVMKLDE-UHFFFAOYSA-N 427.800 4.231 5 20 IIBD Cc1ccc(C(C)C)c(Oc2ccc(CNCCC(=O)N3CCOCC3)cc2[N+](=O)[O-])c1 236741401 KWGSXTOQEDPIDB-UHFFFAOYSA-N 441.528 4.157 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(c2nc(-c3ccccc3Cl)cs2)CC1 302067362 FNGNWOLKVRVAKA-UHFFFAOYSA-N 434.930 4.396 5 20 IIBD Cc1c([C@H](NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C(C)C)oc2ccccc12 303437387 GPHUFGRAFGNLTR-LJQANCHMSA-N 430.482 4.180 5 20 IIBD O=C(Nc1cc(I)ccc1Br)c1ccccc1[N+](=O)[O-] 312408917 NJFGUAAUCRHZQN-UHFFFAOYSA-N 447.026 4.214 5 20 IIBD O=C(NC1CCN(Cc2ccc(F)cc2)CC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 426017517 CIZLJFYMNYEDQC-UHFFFAOYSA-N 426.492 4.073 5 20 IIBD COc1cc([C@@H](C)NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc(OC)c1OC 426057162 GVCMUBUVTALILO-CQSZACIVSA-N 429.473 4.056 5 20 IIBD Cc1c(NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(Br)cc1[N+](=O)[O-] 430300786 HHEVAOYONUTNEU-UHFFFAOYSA-N 434.290 4.044 5 20 IIBD O=C(NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1ccc2[nH]c3ccccc3c(=O)c2c1 430476482 IMIMIQOBFSSJMT-SQHAQQRYSA-N 444.506 4.324 5 20 IIBD C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 430663494 JXIZIQREBXFMKG-BLVKFPJESA-N 441.488 4.067 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@H](C)c2cccc(OCc3ccccc3)c2)cccc1[N+](=O)[O-] 434555116 GNYYUASOUQDELU-QGZVFWFLSA-N 433.464 4.298 5 20 IIBD O=C(NC[C@H](c1cccs1)N1CCCC1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 435814879 ZKBOTZQICHYIKL-LJQANCHMSA-N 435.524 4.449 5 20 IIBD O=C(Nc1cc2c(cc1Cl)OCCO2)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 437626597 GHCZMXNWZKTIIL-UHFFFAOYSA-N 433.848 4.095 5 20 IIBD CC(=O)c1ccc(OCC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)c([N+](=O)[O-])c1 440869289 ITWVQJQYHMLRMR-QGZVFWFLSA-N 439.449 4.209 5 20 IIBD CCOC(=O)c1sc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)nc1C 444616635 CRQCOMAYZCQXEH-UHFFFAOYSA-N 443.431 4.153 5 20 IIBD C[C@H](c1cccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])c1)N1CCOCC1 445195986 WTSDZBZOGDXZEQ-LLVKDONJSA-N 440.319 4.064 5 20 IIBD C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 445796477 XEROFMRYRLBQMX-OAHLLOKOSA-N 434.489 4.120 5 20 IIBD CC[C@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 446019427 IAQQUHSUJRWOFR-JTQLQIEISA-N 427.276 4.071 5 20 IIBD CCCCOc1ccc(CNC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1Cl 446892275 JSNGFVLJWBVFOD-UHFFFAOYSA-N 431.880 4.303 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCc1ccnc(OC2CCOCC2)c1 447675419 MLXNCOIAWWRMHH-UHFFFAOYSA-N 448.348 4.209 5 20 IIBD COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)ccc1C(F)(F)F 447780785 RSYJFNYNOXYTGI-UHFFFAOYSA-N 444.309 4.442 5 20 IIBD O=C(Cn1ccc2ccccc2c1=O)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] 448394871 GLGFLJWOQKYSJT-UHFFFAOYSA-N 429.432 4.127 5 20 IIBD CCc1csc(NC(=O)c2cc(C(=O)Nc3nc(CC)cs3)cc([N+](=O)[O-])c2)n1 461030351 PMZPCYPCLHRHHH-UHFFFAOYSA-N 431.499 4.137 5 20 IIBD COc1cc(C)c(Br)cc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 462569372 AADHICJIDIIOCK-UHFFFAOYSA-N 431.246 4.112 5 20 IIBD COc1ccccc1C[C@H](C)N(C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 462611723 FNNSRSPVZIYWSL-NSHDSACASA-N 433.313 4.162 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 464718601 DJYMBAJQJJSKNJ-HNNXBMFYSA-N 447.438 4.250 5 20 IIBD O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)NCc1ccc([N+](=O)[O-])cc1Cl 466507679 XMQZRTGJIYYJOY-UHFFFAOYSA-N 439.855 4.087 5 20 IIBD Cc1sc(S(=O)(=O)Nc2cccc(NC(=O)c3ccccc3)c2C)cc1[N+](=O)[O-] 466971085 LZPMMFKWWOLXQS-UHFFFAOYSA-N 431.495 4.326 5 20 IIBD CN(Cc1cc(Br)cn1C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 468202196 OTZCANDHLYBBMU-UHFFFAOYSA-N 435.303 4.092 5 20 IIBD CCOc1cc(NC(=O)NC[C@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])cc1OCC 471172477 HCFVBZRTURIDAB-GOSISDBHSA-N 442.516 4.036 5 20 IIBD COc1cc(-c2noc(COc3c(Cl)cccc3[N+](=O)[O-])n2)ccc1OC(F)F 471291015 FQAVXEKKDNYXQI-UHFFFAOYSA-N 427.747 4.487 5 20 IIBD NC(=O)N[C@@H](CC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1cccc(Oc2ccccc2)c1 473358112 XLUOTEGBWXUGNB-FQEVSTJZSA-N 438.415 4.264 5 20 IIBD Cc1cc(NC(=O)N2CCN(C(=O)c3cc4sccc4s3)CC2)ccc1[N+](=O)[O-] 473769675 OKWHPYBGSOIJQP-UHFFFAOYSA-N 430.511 4.169 5 20 IIBD COc1cc(CN(C)C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)ccc1O 473896044 QOYFHSGNZJUEBA-HNNXBMFYSA-N 436.468 4.149 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1c(-c2ccco2)nc2ccccn12 476438631 RTXCYTSKSKLUEN-UHFFFAOYSA-N 441.241 4.446 5 20 IIBD CC(C)Cn1c(SCc2c([N+](=O)[O-])ncn2C)nc2sc3c(c2c1=O)CC[C@H](C)C3 476521260 HNGXFPRDWRSYSR-LBPRGKRZSA-N 447.586 4.173 5 20 IIBD CC(=O)N1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C1 477306943 JUBZUBQDJYKZTO-HNNXBMFYSA-N 447.944 4.388 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)N(C[C@H]1CCCO1)c1ccc(Br)cc1 479062662 YEEDWGSMSNUCIY-QGZVFWFLSA-N 437.265 4.251 5 20 IIBD O=C(NCCCOC1CCN(Cc2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl 483844054 YCUVXNFQHJYAHO-UHFFFAOYSA-N 446.935 4.441 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1cccc(COCC2CC2)c1 485168913 ASUNTWHSISOIQT-UHFFFAOYSA-N 441.303 4.085 5 20 IIBD O=C(C1CCC(Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1)N1CCSCC1 485391325 BOLJJNWGDYCTHO-UHFFFAOYSA-N 444.532 4.342 5 20 IIBD C[C@H]1CCN(CCOc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)cc2)C1 485803058 WOTUCSTYXRGQMQ-AWEZNQCLSA-N 435.427 4.169 5 20 IIBD O=C(N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1sc(Br)cc1[N+](=O)[O-] 486433104 IVDBZMLJPFZELV-AAEUAGOBSA-N 425.304 4.317 5 20 IIBD CC(=O)c1ccc(SCC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1F 486706585 VHWXBYKOSNHMMC-UHFFFAOYSA-N 430.379 4.364 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(CNC(=O)C2CCCC2)cc1 486731718 ZYASLMQYFGBTAJ-UHFFFAOYSA-N 449.429 4.350 5 20 IIBD Cc1nc(NC(=O)CCn2cc([N+](=O)[O-])nc2C)sc1Cc1ccc(Cl)cc1F 487629553 MZPMCLCLBOYWQL-UHFFFAOYSA-N 437.884 4.277 5 20 IIBD COc1ccc([C@H](CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)N2CCCC2)cc1 489991293 FZBUXXIHRMLSKT-VGSWGCGISA-N 426.517 4.109 5 20 IIBD Cn1nc(-c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 489998739 OBWDTTYUERFLQI-UHFFFAOYSA-N 448.357 4.038 5 20 IIBD Cc1cc(CN(CC(C)C)C(=O)c2cccc(C)c2[N+](=O)[O-])nc(N2CCCCC2)n1 490187729 OKMUAVFWIMZGMM-UHFFFAOYSA-N 425.533 4.290 5 20 IIBD CCOc1ccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1Br 493979250 XZPSJIIZJLTGEG-UHFFFAOYSA-N 431.246 4.194 5 20 IIBD Cc1c(NC(=O)N2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn34)C2)cccc1[N+](=O)[O-] 495129075 OYUNTEKSRVCEDX-CYBMUJFWSA-N 448.405 4.376 5 20 IIBD COC(=O)c1sc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)nc1C 499167858 MOFYJGZRCQLJED-UHFFFAOYSA-N 426.454 4.011 5 20 IIBD COc1cc(C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)c([N+](=O)[O-])cc1OC(F)F 499618171 RDYVAILKOMNAOO-UHFFFAOYSA-N 447.350 4.302 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N[C@@H](CO)Cc1ccc(F)cc1 499934024 USPXNYAPPFQVMJ-GOSISDBHSA-N 425.416 4.251 5 20 IIBD COc1cccc(CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])c1OC1CCCC1 500396278 UXSUIDPEHVSMOO-UHFFFAOYSA-N 425.485 4.429 5 20 IIBD CN1CC[C@@H](Sc2nc3cc([N+](=O)[O-])ccc3n2-c2cccc(C(F)(F)F)c2)C1=O 501132814 IBQULBIOLLJGJY-MRXNPFEDSA-N 436.415 4.275 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN[C@]3(Cc4ccc(Cl)cc4)CCOC3)o2)c1 502553367 RUTOTGNMOZOBSL-QFIPXVFZSA-N 427.888 4.437 5 20 IIBD Cc1cccc(C(=O)Nc2ccc(CCn3nnc(-c4ccccc4)n3)cc2)c1[N+](=O)[O-] 504683277 NWAFXQOJFZFPBS-UHFFFAOYSA-N 428.452 4.052 5 20 IIBD COc1cc(OCC(=O)Nc2ccc(Oc3ccncc3)c(Cl)c2)ccc1[N+](=O)[O-] 504841307 BRECROCIQJIONJ-UHFFFAOYSA-N 429.816 4.462 5 20 IIBD Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c(-n2cc(Cl)cn2)n1 505265260 JENFZRPILDFVEL-UHFFFAOYSA-N 439.781 4.086 5 20 IIBD O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 505445877 MQQZCQRULKDCMI-INIZCTEOSA-N 426.301 4.092 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 506679811 FHDKEYSHMNZATO-UHFFFAOYSA-N 439.418 4.180 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(C)cc2OCC(F)(F)F)cc([N+](=O)[O-])c1 507996416 BUHOHMDYGQTTOH-UHFFFAOYSA-N 426.347 4.273 5 20 IIBD Cc1cc(S(=O)(=O)Nc2nc3c(Br)cccc3s2)ccc1[N+](=O)[O-] 508086061 RCIMWYJLHXBAIY-UHFFFAOYSA-N 428.289 4.076 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 508405595 XECKNKLAFJPUEU-IEBWSBKVSA-N 449.429 4.186 5 20 IIBD COc1cc(C(=O)Nc2ccc(Sc3nnc(C)s3)cc2C)c([N+](=O)[O-])cc1OC 509290507 QBRLKDHKJMUGLB-UHFFFAOYSA-N 446.510 4.484 5 20 IIBD CCOc1cc(NC(=O)N(C)Cc2cc(OC)cc(OC)c2)c([N+](=O)[O-])cc1OCC 510408131 BNRLFKIRASCTMM-UHFFFAOYSA-N 433.461 4.073 5 20 IIBD COc1ccc(CNC(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)cc1[N+](=O)[O-] 510661726 JPMPDENXKNOZEI-HNNXBMFYSA-N 435.864 4.136 5 20 IIBD Cn1cccc(NC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)c1=O 511485994 FJUCOHUXJFLIKI-UHFFFAOYSA-N 438.490 4.307 5 20 IIBD CSc1ccc(C(=O)Nc2cc(F)ccc2NC(=O)c2ccccn2)cc1[N+](=O)[O-] 512624287 XHISZZXGVVFIJY-UHFFFAOYSA-N 426.429 4.355 5 20 IIBD CC(=O)c1sc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)nc1-c1ccccc1 514433415 RYYXCXYXSDIMNN-UHFFFAOYSA-N 433.449 4.359 5 20 IIBD O=C(Nc1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1Cl)c1ccco1 515458245 HRFRMAAOJJJDHG-UHFFFAOYSA-N 443.799 4.117 5 20 IIBD CCN(CC(=O)OC)C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 518469014 WYKZMECRWGNCBQ-VBKFSLOCSA-N 439.493 4.157 5 20 IIBD O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1C(F)(F)F)c1cc(F)cc([N+](=O)[O-])c1 518792070 WDWMRYCQVBUTOC-INIZCTEOSA-N 441.337 4.123 5 20 IIBD O=C(Nc1nnc(SCc2ccccc2)s1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 520310326 OYJORKQJFFNHJJ-UHFFFAOYSA-N 439.478 4.245 5 20 IIBD CC(C)Oc1ccc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c(F)c1 521761893 XCFVXNRVSPASET-UHFFFAOYSA-N 433.255 4.084 5 20 IIBD O=C(Nc1ccc(Sc2nncs2)cc1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 522666239 WFLVKHCFFRGDEP-UHFFFAOYSA-N 425.451 4.104 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2cccc(C[S@](C)=O)c2)cc1[N+](=O)[O-])c1ccccn1 523726484 ZLOSVDBXXRDKGO-IWAYBZMOSA-N 438.509 4.294 5 20 IIBD Cn1ccnc1Sc1ccc(F)cc1NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 524214542 SCJKZXCTCVXSOB-UHFFFAOYSA-N 439.428 4.125 5 20 IIBD CC[C@@H](NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-])c1c(C)noc1C 533825993 FGODVVMROPWJPQ-OAHLLOKOSA-N 446.485 4.125 5 20 IIBD COc1cc(C(=O)Nc2cccc(CCN3CCC(C)CC3)c2)cc([N+](=O)[O-])c1OC 535804758 USIRXZCXCALHEL-UHFFFAOYSA-N 427.501 4.139 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1cc(-c2ccc(Cl)s2)[nH]n1 536042283 QTOOPGKTBSETIB-UHFFFAOYSA-N 447.860 4.027 5 20 IIBD O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 536567902 SRDJSRPXPYPAQV-IERDGZPVSA-N 432.860 4.108 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N[C@H]3CCO[C@@]4(CCOC4)C3)cc2[N+](=O)[O-])cc1 536580455 GFEARFVAWWMGJY-JTSKRJEESA-N 428.510 4.122 5 20 IIBD Cc1nn(-c2ccc(Cl)cc2)c(C)c1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 537634545 OQPWDNZVDVOIHI-KRWDZBQOSA-N 426.908 4.132 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 538236434 MOOOVZYEZXJMCN-INIZCTEOSA-N 433.574 4.206 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 538262695 GZDCHLYDHJNNSE-HNAYVOBHSA-N 425.268 4.317 5 20 IIBD CCOc1cc(CN2CC[C@@](C)(F)C2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 538823794 DISTZSKBMZDARU-HSZRJFAPSA-N 446.475 4.373 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(C)CCC2CCN(c3ccncc3)CC2)cc1SC 539980799 VYQSKGAMPXYYLG-UHFFFAOYSA-N 444.557 4.099 5 20 IIBD CC(=O)N1CCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C(C)(C)C1 540470552 HDAIQCHVZBTNQD-UHFFFAOYSA-N 427.526 4.137 5 20 IIBD Cc1ccc(-c2noc([C@H]3CC(=O)N(c4ccccc4Br)C3)n2)cc1[N+](=O)[O-] 546276604 KPXCOLFZFWECEX-ZDUSSCGKSA-N 443.257 4.236 5 20 IIBD COc1cc(C(=O)N2CCC(C)(CO)CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 547261073 JEDYFLKSRWFMAL-UHFFFAOYSA-N 434.876 4.284 5 20 IIBD CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 549415835 GQBVXTJPGPORLZ-FQEVSTJZSA-N 443.454 4.365 5 20 IIBD Cc1cc(C(F)(F)F)ccc1CNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 556518982 HSSBYAMRKFBLCV-UHFFFAOYSA-N 437.418 4.474 5 20 IIBD O=C(N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 557629441 PPUPGTVPBFKJOA-SFHVURJKSA-N 429.358 4.295 5 20 IIBD C[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccc(Oc2cccnc2)cc1 566699754 LWIPVVXIBYKTRY-INIZCTEOSA-N 429.436 4.459 5 20 IIBD Cc1ccc(-c2nc(O)n[nH]2)cc1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 566941021 JKCBDFJQWAHBTJ-UHFFFAOYSA-N 447.401 4.011 5 20 IIBD COc1ccc(CN2CC[C@@H](n3cc(Cl)cn3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 568523125 UDMARJRYDMRNRZ-HXUWFJFHSA-N 442.903 4.479 5 20 IIBD O=C(NCCCCc1ccc(Cl)s1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 569872706 BODDVWXFXZNQMR-ZDUSSCGKSA-N 441.962 4.115 5 20 IIBD COC(=O)c1scc(-c2ccc(C)cc2)c1NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C 573361843 PBIREKKIXIPWSR-UHFFFAOYSA-N 442.497 4.260 5 20 IIBD C/C(=C/c1ccccc1OC(F)F)CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 573531743 BAGDWFHHXPNIKP-OWBHPGMISA-N 437.468 4.119 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCc2nc3cc(F)ccc3o2)cc1[N+](=O)[O-])c1ccccn1 580247317 HILBQTMARHMKPZ-ZDUSSCGKSA-N 435.415 4.373 5 20 IIBD NC(=O)c1ccc(N[C@@H]2CCCc3c2[nH]c2ccc(Br)cc32)c([N+](=O)[O-])c1 581659638 RKDASEGHQMRHDC-MRXNPFEDSA-N 429.274 4.427 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3cc4nccnc4cc3F)n2)c(Br)c1 583590132 CAADCTSLCNRUNE-UHFFFAOYSA-N 430.193 4.080 5 20 IIBD COc1ccc2c(c1)C1(CC1)CN(S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C2 584260959 FPBOHFFNAUWSGM-UHFFFAOYSA-N 443.308 4.146 5 20 IIBD O=C(NC1CC1)c1ccc(NC[C@@H](c2ccccc2Cl)N2CCCC2)c([N+](=O)[O-])c1 589795564 KNCRMTSVNZFJCN-NRFANRHFSA-N 428.920 4.389 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(OCc2cn3cccc(C)c3n2)cc1 591632341 GHTFQOHAKDSRNE-UHFFFAOYSA-N 432.436 4.391 5 20 IIBD COCCN(C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)c1nc2ccccc2s1 603566811 ICCZZYQZNQWGER-UHFFFAOYSA-N 447.538 4.126 5 20 IIBD O=C(Nc1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1)c1ccc(Cl)cc1 604341076 LIRBNRDOAFGPNY-UHFFFAOYSA-N 439.811 4.482 5 20 IIBD CCCn1c(SC[C@H](O)COc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1 608853531 QBTMVYUQNQBYBC-QGZVFWFLSA-N 448.932 4.449 5 20 IIBD O=C(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)Nc1cc(Cl)c(Cl)cc1Cl 608868208 TZOFLKYBJVUDGK-UHFFFAOYSA-N 426.647 4.452 5 20 IIBD CC[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 609626062 PYQLWBOGPGUFMF-OAHLLOKOSA-N 425.304 4.055 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 609792160 IDZACIQLHWLGLT-UHFFFAOYSA-N 441.837 4.154 5 20 IIBD C[C@@H](C(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1)c1ccco1 610172002 LEORYXSCKIZSRU-MRXNPFEDSA-N 425.510 4.364 5 20 IIBD COc1cc(OC)c(C2CCN(C(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)CC2)c(OC)c1 617697428 XLOVLNCVPZAAPH-OAHLLOKOSA-N 428.485 4.130 5 20 IIBD C[C@@H](C(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1)c1cccc([N+](=O)[O-])c1 617766042 DYAHOPFWRQEHFP-KZULUSFZSA-N 437.265 4.200 5 20 IIBD O=C(NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 727950725 UDHZFKKOZWLGQL-QWRGUYRKSA-N 449.699 4.164 5 20 IIBD Cc1c(C(=O)N2CCC[C@H]2c2ccccc2C(F)(F)F)nnn1-c1cccc([N+](=O)[O-])c1 728034845 HHZIDOCAQFNOMT-SFHVURJKSA-N 445.401 4.480 5 20 IIBD CON(C)C(=O)c1ccc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1 731436744 GMTBDOMDYNFZPC-UHFFFAOYSA-N 434.452 4.093 5 20 IIBD O=C(O[C@@H](c1cccc(Cl)c1)C(F)(F)F)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 731552205 MURREKWRVKFJDK-HNNXBMFYSA-N 426.738 4.289 5 20 IIBD O=Cc1ccc(OCC(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)c([N+](=O)[O-])c1 731604489 OOZPVJKVNJWWJF-QOGZIUHUSA-N 442.471 4.200 5 20 IIBD Cc1ccc(Nc2nc(COC(=O)COc3ccc(C=O)cc3[N+](=O)[O-])cs2)cc1 731733734 NWMPWUIYLGHNFD-UHFFFAOYSA-N 427.438 4.038 5 20 IIBD COc1cc(-c2nc(COC(=O)c3cc4cc([N+](=O)[O-])ccc4[nH]3)cs2)ccc1O 733455414 CGXXDCAQALMKHI-UHFFFAOYSA-N 425.422 4.271 5 20 IIBD COC(=O)[C@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1cccc(Cl)c1 733812951 DEBVFPFWKGGZDG-CQSZACIVSA-N 428.622 4.082 5 20 IIBD Cc1c(C(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 734776382 UMTJYFVKXKBJLR-SSEXGKCCSA-N 433.486 4.419 5 20 IIBD C[C@H](CC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1cccc(F)c1 734903400 BBUAEGLUEBWLLP-LLVKDONJSA-N 428.338 4.428 5 20 IIBD O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1 735014750 FHVISKORUDHPHM-UHFFFAOYSA-N 448.266 4.379 5 20 IIBD C[C@H]1c2c(F)cccc2CCN1C(=O)c1cc([N+](=O)[O-])ccc1I 737698502 OZOKRTHUWJMKGK-JTQLQIEISA-N 440.212 4.098 5 20 IIBD O=C(N[C@H](Cc1ccccc1)c1ccccc1F)c1cc([N+](=O)[O-])ccc1N1CCOCC1 740798884 JLZGSHHDYHQJNA-HSZRJFAPSA-N 449.482 4.284 5 20 IIBD CCN(CC)C(=O)c1cccc(OC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 741599791 UGWQAXVZYIPQMA-UHFFFAOYSA-N 425.466 4.420 5 20 IIBD Nc1c(C(=O)OCc2ncc(-c3ccc(Br)cc3)o2)cc(F)cc1[N+](=O)[O-] 744823934 SETIIXJESNNPIF-UHFFFAOYSA-N 436.193 4.091 5 20 IIBD Cc1ccc(F)c(N2CCC[C@H](OC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)c1 745567536 BPTVJXNWSMWZGE-KRWDZBQOSA-N 440.349 4.414 5 20 IIBD COc1cc(C(=O)O[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)c([N+](=O)[O-])cc1OC 746099013 UAKPVEXYONXELS-JTQLQIEISA-N 433.804 4.233 5 20 IIBD CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 747320075 PVGRMPMYJZJYKK-UHFFFAOYSA-N 448.564 4.208 5 20 IIBD C[C@H](COc1ccc(F)cc1F)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 749577231 WETJRGAQKFRNNR-MRVPVSSYSA-N 449.635 4.486 5 20 IIBD O=C(NC1CCCC1)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1 751094538 WVRBAVXWSQXJOI-UHFFFAOYSA-N 432.274 4.282 5 20 IIBD O=C(CC[C@@H]1CCOC1)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 751714860 RVRMELCMGOBVOY-JLTOFOAXSA-N 432.860 4.288 5 20 IIBD CN(C)c1cc(F)c(C(=O)NCCc2c[nH]c3cccc(Br)c23)cc1[N+](=O)[O-] 753028729 XLJICBJADQVLAE-UHFFFAOYSA-N 449.280 4.016 5 20 IIBD COc1c(S(=O)(=O)N[C@H](C)c2ccc(C)s2)cc(Br)c(C)c1[N+](=O)[O-] 755071940 IOGVBJIGTXEPLU-SNVBAGLBSA-N 449.348 4.084 5 20 IIBD CC[C@@H](Nc1cc([N+](=O)[O-])c(OC)c(Br)c1[N+](=O)[O-])c1c(C)noc1C 756957553 VAZFVFIJFZHIDA-SECBINFHSA-N 429.227 4.442 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)OCc1ncc(-c2ccccc2Br)o1 758083124 GWFVYFACPWVKGX-UHFFFAOYSA-N 436.193 4.091 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1cncc(Cl)n1 758642083 YAFVMAHSXQLQGY-KRWDZBQOSA-N 447.234 4.228 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)CCn1ccc2cc(Cl)ccc21 758870157 KMIGJMSOODWPSQ-ZDUSSCGKSA-N 445.859 4.172 5 20 IIBD C[C@H](Oc1ccccc1Br)C(=O)O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 759931324 LQQDGSMGLGEIBP-DUVNUKRYSA-N 438.278 4.048 5 20 IIBD C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 760199164 QPZACXDDBHCOLE-HNNXBMFYSA-N 445.903 4.312 5 20 IIBD O=C(N[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2OC(F)F)C1)c1cc2ccccc2o1 760559077 DLOCRLUQAFIOGT-AWEZNQCLSA-N 431.395 4.341 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)c1ccn(C2CCCC2)n1)c1cccc([N+](=O)[O-])c1 763282929 QAMBZHSQMHJXMI-GOSISDBHSA-N 440.500 4.148 5 20 IIBD O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCOC[C@H]1C[C@H](O)c1ccccc1 763722213 BLBHQGKRORKIJC-QPPBQGQZSA-N 447.491 4.303 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)Nc1ccccc1OC(F)F 763809473 BCSBTMFXQZZVJA-LLVKDONJSA-N 440.424 4.492 5 20 IIBD CC(C)CC(=O)Nc1ccc(C(=O)COC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 766229434 XHARTRKXORTZIX-UHFFFAOYSA-N 435.436 4.167 5 20 IIBD Cc1cn(-c2ccccc2Cl)nc1C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 767064674 HBVHABOKWZAJLZ-CQSZACIVSA-N 442.859 4.235 5 20 IIBD CC(=O)N1CCCCC[C@H]1C1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 769401505 KKYUFJKXZZVTBA-IBGZPJMESA-N 438.366 4.360 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 769423750 GVOXOQYFHUISLW-KGLIPLIRSA-N 429.464 4.321 5 20 IIBD O=C(CCc1cccc2c1OCO2)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 769737329 ZFFHPYLETQFDLN-UHFFFAOYSA-N 434.404 4.114 5 20 IIBD COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OS(=O)(=O)CC1CCC1 771720246 LUFXBENHWLIMGN-IBGZPJMESA-N 444.509 4.094 5 20 IIBD CC(C)(C)OC(=O)C1(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCCCC1 773115034 CWHBXEWGKBCVRO-UHFFFAOYSA-N 434.536 4.316 5 20 IIBD C[C@H](OC(=O)C(C)(C)C1CCC(O)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 773484805 BYSMHVGKIJAWGM-DCBWTQNWSA-N 446.422 4.061 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nn1C1CCCCC1 776435368 ZCEXGBPDGHWUNB-ZDUSSCGKSA-N 434.880 4.442 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1nc(O)c2ccccc2n1 776746890 SYDRNKGTNHTQKG-UHFFFAOYSA-N 426.498 4.408 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 777933555 QUVOXZJJGCPZES-UHFFFAOYSA-N 425.438 4.190 5 20 IIBD CC[C@@H](C)n1nc(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cc1C 778242331 VKYAUKPUWOXGDH-APWZRJJASA-N 442.516 4.313 5 20 IIBD Cc1onc(-c2ccccc2)c1C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 778617420 VFNCOGMPVIDUNT-LBPRGKRZSA-N 429.816 4.396 5 20 IIBD COc1cc([C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C(F)(F)F)cc(OC)c1OC 779453244 YKVWTSAVMHWVQJ-MRXNPFEDSA-N 448.781 4.307 5 20 IIBD CN(C)c1ccc(COC(=O)c2csc(COc3ccc(F)cc3)n2)cc1[N+](=O)[O-] 784497403 GZGJSSCKWKIYKI-UHFFFAOYSA-N 431.445 4.192 5 20 IIBD CCOc1cc(NC(=O)NC[C@@H](O)c2cc(F)cc(Cl)c2)c([N+](=O)[O-])cc1OCC 785670449 ZXOLCQFJGLJRRE-MRXNPFEDSA-N 441.843 4.040 5 20 IIBD C[C@H](Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)c1ccc(N)c([N+](=O)[O-])c1 788728956 HLBBKGOKUHATLC-INIZCTEOSA-N 425.510 4.465 5 20 IIBD CCCCOc1ccc(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(O)c1 789249105 RNWIOYNGUZYZJQ-ZDUSSCGKSA-N 427.413 4.447 5 20 IIBD O=C(c1ccc(OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)N1CCc2sccc2C1 789588837 CJXOWUZDTGVLEV-UHFFFAOYSA-N 439.449 4.342 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCc2sc(Br)cc2C1 790557733 MKDIVWQLSGKMGS-UHFFFAOYSA-N 433.686 4.339 5 20 IIBD CCOC(=O)c1sc(N(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C2CC2)nc1C 790905472 OYIKITVHWAWWQL-UHFFFAOYSA-N 441.868 4.067 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CC=C(c2ccc3c(c2)OCCO3)CC1 790912556 SIFMZAHXVXXQOH-UHFFFAOYSA-N 432.835 4.017 5 20 IIBD COc1ccc(OC(=O)[C@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)cc1[N+](=O)[O-] 792123661 ISCFZWRUBVFAOP-HSZRJFAPSA-N 436.464 4.046 5 20 IIBD CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cn1 792376925 HLAMTKKGIPYYJM-JOCHJYFZSA-N 437.500 4.196 5 20 IIBD C[C@H](c1cn(-c2ccccc2)nn1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 792896252 FONTUBLZBWZPSC-CYBMUJFWSA-N 428.290 4.057 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)cs1 797459789 JUSZVMLLLYULSY-ZDUSSCGKSA-N 435.296 4.084 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC(c2ccc(Br)cc2)CC1 800121013 HXYIVNNKAWYWMP-UHFFFAOYSA-N 434.246 4.285 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCc1ccc(OC2CCCCC2)cc1 800602776 JADXGXXMSRWQCI-UHFFFAOYSA-N 429.448 4.009 5 20 IIBD CS(=O)(=O)c1ccc(-c2nc(C(c3ccccc3)c3ccccc3)no2)cc1[N+](=O)[O-] 800960821 MRDMLHPZURHKEU-UHFFFAOYSA-N 435.461 4.229 5 20 IIBD CS(=O)(=O)c1cc(COC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc(C(F)(F)F)c1 800979201 VTBMJLAMRRJEHL-UHFFFAOYSA-N 437.779 4.028 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H](F)c1ccc(C(F)(F)F)cc1 801900659 QTPLACOVFNPCGL-HNNXBMFYSA-N 425.294 4.418 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OCCCC(=O)N2CCCCC2)cc1 805395833 AMLYTEGRRIMJIC-UHFFFAOYSA-N 442.468 4.345 5 20 IIBD O=[N+]([O-])c1ccc(N2CCOCC2)c(-c2nc(CSc3ccc(Cl)cc3)no2)c1 809260905 OBZLTBOVTGLMLM-UHFFFAOYSA-N 432.889 4.427 5 20 IIBD Cc1nn(-c2ccccn2)c(Cl)c1CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 809581770 OQMNYRYWXPLCLV-UHFFFAOYSA-N 427.892 4.181 5 20 IIBD C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813087438 SHDWKGAJBZMGJY-MNOVXSKESA-N 432.304 4.277 5 20 IIBD O=C(OCC[C@H](c1ccccc1)C(F)(F)F)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 816475207 YMELQUACQMFDJB-CABCVRRESA-N 440.374 4.072 5 20 IIBD Cc1cccc(C(=O)Nc2ccccc2C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 847395919 FKRDXIFIUQIJNP-INIZCTEOSA-N 447.447 4.340 5 20 IIBD COc1ccc(CN(C)C(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1OC(F)F 914736799 QAGBSIZONLALKB-UHFFFAOYSA-N 445.216 4.240 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N(C2CC2)[C@@H](C)C2CC2)cc1 914841137 FXWGWWJCKRXVOV-HNNXBMFYSA-N 444.509 4.074 5 20 IIBD Cc1ccc(NC(=O)N2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)cc1[N+](=O)[O-] 915301963 YBUUMQIIHDRUKP-UHFFFAOYSA-N 438.406 4.152 5 20 IIBD C[C@H](Oc1ccc2c(c1)CCC2)C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 915486246 VIFOVDODUTWNBV-OLZOCXBDSA-N 432.860 4.075 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1[nH]c2ccccc2c1Br 915511083 HLXIBPDHTACHGF-UHFFFAOYSA-N 433.214 4.062 5 20 IIBD O=C(OCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 919088458 YCEWOZXLCDIKAI-SFHVURJKSA-N 437.279 4.292 5 20 IIBD CCC[C@H](NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)c1ccccc1 919224875 OXMYZNYVVYZRKP-YOEHRIQHSA-N 429.429 4.014 5 20 IIBD CCc1cccc2c(C(=O)[C@H](OC(=O)Cn3ccc([N+](=O)[O-])n3)c3ccccc3)c[nH]c12 919379089 GQUHEFLISQIVKE-HSZRJFAPSA-N 432.436 4.002 5 20 IIBD CCn1c(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)nc2ccccc21 919693828 LBSKZZCYCFXQKC-INIZCTEOSA-N 444.495 4.463 5 20 IIBD O=C(NCc1ccc(-n2ccnc2)cc1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 921148395 GDZXZXKRZZMSPX-UHFFFAOYSA-N 427.464 4.323 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2cnn(Cc3cccnc3)c2)cc1[N+](=O)[O-])c1ccccn1 1251432464 XWMTUULCZHTGIU-MRXNPFEDSA-N 443.467 4.055 5 20 IIBD CC[C@@]1(C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCN(C(=O)OC(C)(C)C)C1 1253730716 JJXRHVOBEXFTMJ-JOCHJYFZSA-N 445.472 4.330 5 20 IIBD O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCCC1 1317849839 CPHZDSHWEARRDA-QFIPXVFZSA-N 445.523 4.247 5 20 IIBD Cn1cc(C(=O)N2CC(Cc3ccccc3C(F)(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 1319034270 CGFUFRQBFXBRPO-UHFFFAOYSA-N 444.413 4.329 5 20 IIBD O=C(NCc1cccc(C(F)F)c1)c1ccc([N+](=O)[O-])cc1I 1320529494 SPYIUPWAAHFEKA-UHFFFAOYSA-N 432.164 4.067 5 20 IIBD CC(C)(C)OC(=O)NCc1ccccc1CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 1321014469 CWUUTQRTPAOEFZ-OALUTQOASA-N 429.521 4.090 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@H]3CCc4ccoc4C3)CCC2)cc1)c1ccc([N+](=O)[O-])o1 1785748912 XAORSAGRWWQPMK-INIZCTEOSA-N 449.463 4.334 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)[C@@H]3C[C@]3(F)Cl)CCC2)cc1 1785795518 RZNWDYZLSKJPMY-PGRDOPGGSA-N 445.878 4.196 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)NC1(c2ccc(NC(=O)[C@@H]3CCCS3)cc2)CCC1 1792008861 IXWVWYWCTKWJRD-FQEVSTJZSA-N 439.537 4.167 5 20 IIBD CCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCc1cc(C)c(F)cc1[N+](=O)[O-] 1793405499 USQSZTLOCHQYNI-REPLKXPHSA-N 447.551 4.439 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2ccoc2c1 1800990130 YGXWIMSJAXVBJJ-YSUBUNCUSA-N 445.475 4.306 5 20 IIBD CC(C)(C)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cc([N+](=O)[O-])ccc2F)[nH]n1 1816757250 XNJSTZDMQRIUJJ-SFHVURJKSA-N 445.495 4.128 5 20 IIBD CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 1824160995 GVPBMQFIDABJMU-IBGZPJMESA-N 449.979 4.457 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1ccc([N+](=O)[O-])o1 3502756 AECZOYAYLCYQFV-KRWDZBQOSA-N 445.771 4.286 5 20 IIBD C[C@@H](OC(=O)c1ccccc1C(=O)N(C)c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 9702855 CUHSCAJGDWBNCK-MRXNPFEDSA-N 447.447 4.055 5 20 IIBD CCc1ccc(NC(=O)[C@H](C)OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 11276529 UZJYNJPSDKDHJJ-KRWDZBQOSA-N 428.488 4.288 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CSc1nc2ccccc2c(=O)n1CCCOC(C)C 11767279 TUXHWFZJMKJCLU-UHFFFAOYSA-N 443.525 4.421 5 20 IIBD O=C(COC(=O)CCc1ncc(-c2ccccc2Cl)o1)Nc1cccc([N+](=O)[O-])c1 12252174 ORVBTPSXCTULKY-UHFFFAOYSA-N 429.816 4.018 5 20 IIBD NC(=O)c1ccc(SCC(=O)Nc2nc3c(ccc4ccccc43)s2)c([N+](=O)[O-])c1 14505340 PYFMQUZSZVCIHS-UHFFFAOYSA-N 438.490 4.187 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccccc1C(=O)NCCc1ccccc1 14899042 YOCUVQLYZYRAFX-UHFFFAOYSA-N 432.480 4.008 5 20 IIBD O=C(Nc1ccccc1Cl)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 15408746 DIDRHKWUMXOHJA-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCSc1nnc(-c2ccc(C)c(C)c2)o1 26351418 SBJLQETWYCQYJN-UHFFFAOYSA-N 428.470 4.391 5 20 IIBD Cc1ccc(-c2cc(C(=O)N[C@H](CC(=O)OC(C)C)c3ccccc3[N+](=O)[O-])on2)cc1 31224597 AWCYHQRZGLPCLT-LJQANCHMSA-N 437.452 4.371 5 20 IIBD COc1cc(/C=C/C(=O)NCc2ccc([N+](=O)[O-])cc2)ccc1OCc1c(C)noc1C 59786296 IKJZRMUMRMPCBI-YRNVUSSQSA-N 437.452 4.117 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccn(Cc3ccccn3)n2)cc1[N+](=O)[O-])c1ccccn1 109750954 UCHULBINRVSVRB-MRXNPFEDSA-N 443.467 4.055 5 20 IIBD O=C(NCc1ccncc1)Nc1cccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 116756868 HJCJZQNDEUPWCX-UHFFFAOYSA-N 446.467 4.138 5 20 IIBD Cc1cc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 302508333 RLMWHBBTLWEIIK-UHFFFAOYSA-N 427.505 4.244 5 20 IIBD O=[N+]([O-])c1cc(I)ccc1Oc1ccc([N+](=O)[O-])c2cnccc12 302523282 ZKKLQWRFEZGHKI-UHFFFAOYSA-N 437.149 4.448 5 20 IIBD Cc1cc(N2CCCN(C(=O)CCc3ccccc3)CC2)c(Br)cc1[N+](=O)[O-] 302664855 JEEOVSUXQFUOQM-UHFFFAOYSA-N 446.345 4.337 5 20 IIBD Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 303361884 HTPIORCSZURBPB-IBGZPJMESA-N 427.526 4.355 5 20 IIBD COCCN(CCc1ccccc1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 426277937 LPKZJEQKCJYIJH-UHFFFAOYSA-N 425.407 4.014 5 20 IIBD Cc1c(C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)nnn1-c1cccc([N+](=O)[O-])c1 427455187 BBDFWWQBCWTDQY-UHFFFAOYSA-N 448.483 4.255 5 20 IIBD O=C([C@@H]1CCCN(c2ncnc3sccc23)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 427574277 NGJZITVZHCWYCY-MRXNPFEDSA-N 437.525 4.007 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ncncc1Cl 428345475 CHVLATPVNADYMZ-UHFFFAOYSA-N 432.845 4.196 5 20 IIBD CCCc1c(NC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)cnn1-c1ccc(F)cc1 429617414 JHYVLKMQOWKALL-UHFFFAOYSA-N 427.436 4.202 5 20 IIBD COc1ccc(OCCOc2cccc(CNC(=O)Nc3ccccc3)c2)c([N+](=O)[O-])c1 435795420 QUOJHHUDPSLHOX-UHFFFAOYSA-N 437.452 4.383 5 20 IIBD Cc1cc(OCC(=O)N2CCC(Nc3cccc(Br)c3)CC2)ccc1[N+](=O)[O-] 435920357 JCIYXXFRDISAIT-UHFFFAOYSA-N 448.317 4.148 5 20 IIBD Cc1c(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)nnn1-c1ccc(OC(C)C)cc1 437490481 DLZLOVWKHPXKDV-UHFFFAOYSA-N 435.484 4.076 5 20 IIBD O=[N+]([O-])c1cccc(-c2ncn(C[C@H](O)COC(c3ccccc3)c3ccccc3)n2)c1 438821797 SXPXKIAQFFMVOY-QFIPXVFZSA-N 430.464 4.020 5 20 IIBD CC(C)[C@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 439654769 LZNUWCBYKZYLHJ-SFHVURJKSA-N 433.390 4.321 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 439882928 MCUFKUHISBRIBK-ZDUSSCGKSA-N 427.383 4.078 5 20 IIBD C[C@H]1CN(C(C)(C)CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 440421707 KMOUEIVBTHKBFK-CALCHBBNSA-N 443.569 4.364 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCO[C@H](c4ccco4)C3)cc2[N+](=O)[O-])n1 440628410 VTODSZMQWCDBFD-INIZCTEOSA-N 431.495 4.318 5 20 IIBD CC[C@H](CNC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])Oc1cccc(Cl)c1 440639467 LRNIHKCJIIJGEK-GFCCVEGCSA-N 444.818 4.446 5 20 IIBD CS(=O)(=O)c1cc(C(=O)N2CCCCC[C@@H]2/C=C/c2ccccc2)cc([N+](=O)[O-])c1 440876379 HPONYIGKQIIOBX-TZZQJPOUSA-N 428.510 4.097 5 20 IIBD C[C@@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1ccc(-n2cccn2)cc1 444122700 LBCVQICAUVMSDK-OAHLLOKOSA-N 426.451 4.497 5 20 IIBD O=[N+]([O-])c1ccc2nc(CN3C[C@H]4CCC[C@@]4(c4nc(-c5ccccc5)no4)C3)[nH]c2c1 444713004 DQOOBHNKZIFODB-WAIKUNEKSA-N 430.468 4.075 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(/C=C/c3cc(Cl)c(OC)c(OC)c3)n2)c1 445579215 IHRXQPDDWWBBIS-QPJJXVBHSA-N 431.832 4.418 5 20 IIBD CN(C)C(=O)C[C@@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccccc1 447391369 FKKHIZSHVMVBHM-JOCHJYFZSA-N 447.491 4.123 5 20 IIBD O=C(NC[C@H]1CCCN(c2ccccc2)C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 447728271 DRWKNOBBTDTLKK-QGZVFWFLSA-N 429.495 4.467 5 20 IIBD CN(CCc1cccc(Br)c1)C(=O)c1ccc([N+](=O)[O-])cc1Br 462848679 VDHYUNIBHLHVTB-UHFFFAOYSA-N 442.107 4.435 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1ccccc1)[C@@H](C)c1ccccc1 463870511 JTULGTUKXLUCED-KRWDZBQOSA-N 433.464 4.332 5 20 IIBD CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1nc(C(F)(F)F)cs1 464183065 CHLONYCKCPCBQA-SNVBAGLBSA-N 446.432 4.048 5 20 IIBD CC[C@H]1Oc2cc([C@@H](C)NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)ccc2NC1=O 466767666 SJWAMPOZIPCBMH-FOIQADDNSA-N 440.500 4.386 5 20 IIBD CC(=O)N(C)C1CCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC1 466821526 IRBQKQADQLSVSH-UHFFFAOYSA-N 447.944 4.482 5 20 IIBD CCOc1cc(NC2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)CC2)ncn1 466856601 HYBVCTBCHHNOBD-UHFFFAOYSA-N 445.545 4.001 5 20 IIBD O=C1C[C@@]2(CCCN(C(=O)c3ccc([N+](=O)[O-])c(Sc4ccc(Cl)cc4)c3)C2)CN1 466869214 ZXHNHNWDHZKQQN-NRFANRHFSA-N 445.928 4.142 5 20 IIBD COc1cc(C)ccc1Oc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cn1 466972797 AGINZVQUTRYPGE-UHFFFAOYSA-N 435.483 4.270 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCC[C@H]3CC(=O)c3ccco3)cc2[N+](=O)[O-])CC1 468359620 XWHZIUXVEXNBNN-SFHVURJKSA-N 425.485 4.302 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C 469661605 NTNYIIQUULXYMQ-HNNXBMFYSA-N 438.509 4.493 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)Cc2ccccc2Br)cc1SC 470166936 ZHBZZRCVULQOJH-LLVKDONJSA-N 439.331 4.449 5 20 IIBD CC[C@@H]1CN(C(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])CC[C@H]1c1ccccc1 470748032 ZYVDRZPBRJIHIY-YLJYHZDGSA-N 441.528 4.380 5 20 IIBD COc1cc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)ccc1Br 471497890 UJJHWUFXUAJALT-UHFFFAOYSA-N 431.246 4.019 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1-c1cc(F)c(F)c(F)c1 474748428 FPDFILZMOAGEGW-UHFFFAOYSA-N 443.381 4.438 5 20 IIBD Cc1ccc(I)cc1NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 478656390 WLTFBXAZGPIMJK-UHFFFAOYSA-N 449.204 4.014 5 20 IIBD CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1ccc(F)cc1[N+](=O)[O-] 478948061 ABLQTFTWNJKYFY-UHFFFAOYSA-N 433.745 4.117 5 20 IIBD COc1ccccc1OC[C@@H](C)CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 482933591 RTNVALJQTXEPSB-LBPRGKRZSA-N 425.388 4.041 5 20 IIBD C[C@H](NCc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O)c1ccc([N+](=O)[O-])cc1 482955800 DOTQTZKVKAKOPS-KRWDZBQOSA-N 436.512 4.200 5 20 IIBD CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)NCc1cccc([N+](=O)[O-])c1C 484658501 WRHIADLYPGCDAQ-UHFFFAOYSA-N 442.516 4.239 5 20 IIBD CSc1cccc(C(=O)N(Cc2c(C)noc2C)Cc2c(C)noc2C)c1[N+](=O)[O-] 486437258 SJYOBCLRPIYJED-UHFFFAOYSA-N 430.486 4.369 5 20 IIBD Cc1nnnn1-c1ccc(F)c(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)c1 486979850 ZPLOETMQRFMPPL-UHFFFAOYSA-N 430.465 4.018 5 20 IIBD C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 487131868 VNQZTYDVKRFUBB-JXFKEZNVSA-N 430.936 4.001 5 20 IIBD CCc1cccc(Cc2cnc(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)s2)c1 487327879 XNPIQRLIHJBCMO-UHFFFAOYSA-N 434.481 4.038 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(c3ncnc4sccc34)C2)cc1[N+](=O)[O-] 488080464 VEIWWUOQWSUMCZ-ZBFHGGJFSA-N 425.514 4.002 5 20 IIBD Cc1cc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)n(-c2cccc(C(F)(F)F)c2)n1 488918811 QNFVFDJQTNXDAV-UHFFFAOYSA-N 434.330 4.089 5 20 IIBD Cc1ccc(-n2cnc3c2CCN(C(=O)c2csc(-c4cccc([N+](=O)[O-])c4)n2)C3)cc1 489409070 XGOPDHZGVHDBGQ-UHFFFAOYSA-N 445.504 4.411 5 20 IIBD COC(=O)c1cc(NC(=O)COC(c2ccccc2)c2ccccc2)c(C)c([N+](=O)[O-])c1 489764241 PJGWWALWNDSXGF-UHFFFAOYSA-N 434.448 4.435 5 20 IIBD CN1CCC(n2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)n2)CC1 490018826 RHAQPUZLUNJOQH-UHFFFAOYSA-N 437.525 4.462 5 20 IIBD COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 490747164 VSMQKRIKMFQKOE-GOSISDBHSA-N 438.933 4.336 5 20 IIBD CCc1nc(COc2ccc(C(=O)N3CCS[C@@H]3c3ccc([N+](=O)[O-])cc3)cc2)no1 498140585 PXOWMWAMQGOQFK-OAQYLSRUSA-N 440.481 4.007 5 20 IIBD Nc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(OCCOc2ccc(Cl)cc2)cc1 499899372 KSWRLKPQYFPRTN-UHFFFAOYSA-N 441.871 4.218 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N(C)c2cccc3cccnc23)cc1[N+](=O)[O-] 500543577 DJBNWIDNEYPVKB-UHFFFAOYSA-N 436.287 4.039 5 20 IIBD CN(Cc1ccccc1)c1ccccc1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 500573285 XUNHLFNDLKLIFR-UHFFFAOYSA-N 434.452 4.011 5 20 IIBD Cc1nc(-c2ccc(CCNC(=O)NCCNc3ccc([N+](=O)[O-])cc3)s2)cs1 505079435 FNCRWODWCXGOHX-UHFFFAOYSA-N 431.543 4.042 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCO[C@H](c2ccccc2Cl)C1 505147618 BSZOJHDRTLHSQL-NRFANRHFSA-N 429.904 4.065 5 20 IIBD COC(=O)c1cc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2OC)cc([N+](=O)[O-])c1 505462442 XKYPREBVJYNSRB-UHFFFAOYSA-N 446.419 4.186 5 20 IIBD COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc34)s2)cc1 505813388 SCMWKZHVIPUWEE-LLVKDONJSA-N 437.481 4.403 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(C(=O)c2ccc(C)cc2)CC1 506205915 BWQJASIEXBPFMP-UHFFFAOYSA-N 441.553 4.440 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)c(Cl)c1 507900362 CFKWRBXVURLBID-ZDUSSCGKSA-N 426.775 4.359 5 20 IIBD O=C(Cn1c(-c2ccc([N+](=O)[O-])cc2)noc1=O)Nc1cc(Cl)c(Cl)cc1Cl 509069293 WVXUMIUTDHEIOK-UHFFFAOYSA-N 443.630 4.010 5 20 IIBD O=C(NCc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1I 510739754 YKPIKYOMKGDZOO-UHFFFAOYSA-N 432.217 4.283 5 20 IIBD C[C@@H](Nc1cccc(COCC(F)(F)C(F)F)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 511028723 NMJHSKABIFJJNK-GFCCVEGCSA-N 429.370 4.451 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1CSc1nnc([C@@H]2COc3ccccc3O2)n1C 511110628 YPIACNSNVXLAEV-IBGZPJMESA-N 442.497 4.315 5 20 IIBD CC(C)n1c([C@@H]2CCCN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)nc2ccccc21 512266377 SSXOLLHCEJFCAI-LJQANCHMSA-N 447.539 4.294 5 20 IIBD O=C(Nc1ccc(Br)cc1Br)c1cc2c(cc1[N+](=O)[O-])OCO2 514659622 JFBONCHLDSTKFX-UHFFFAOYSA-N 444.035 4.101 5 20 IIBD C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 515215293 YACNMAWHJWOBSE-SECBINFHSA-N 431.189 4.365 5 20 IIBD O=C(c1c(Cl)cccc1Cl)N1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 515607510 VYBDVGAURJJXGK-UHFFFAOYSA-N 431.279 4.412 5 20 IIBD COc1ccc(CNC(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1[N+](=O)[O-] 515769792 MIJKRVCCJMYOGI-UHFFFAOYSA-N 426.454 4.239 5 20 IIBD COc1cc(C(=O)N(C)[C@H]2CCCc3nc(C)sc32)c([N+](=O)[O-])cc1OC(F)F 517667243 ZMTUXIOFSOBPEM-LBPRGKRZSA-N 427.429 4.119 5 20 IIBD O=C(Nc1nc2cc(Cl)ccc2s1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 518903731 RLZZFGIZKCNXJJ-NSHDSACASA-N 436.902 4.163 5 20 IIBD CCCN(CCC)C(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)cc1 520037950 RFZLLBAHFUUJII-UHFFFAOYSA-N 433.530 4.220 5 20 IIBD COc1cc(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)c([N+](=O)[O-])cc1OC 520652956 BRRRQCFWHKQYHA-HNNXBMFYSA-N 441.484 4.187 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1nc(-c2ccc3c(c2)Cc2ccccc2-3)cs1 521550910 CKLBRGTXABIKRM-UHFFFAOYSA-N 431.477 4.433 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cccc(F)c3F)cc2)cc1[N+](=O)[O-] 523287743 YMSJUWINDGFSSU-UHFFFAOYSA-N 447.419 4.235 5 20 IIBD COC(=O)CCN(C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)c1cccc(F)c1 525083289 CSQOJHBYGLEZSG-UHFFFAOYSA-N 443.475 4.180 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1cccc(OCC(F)(F)F)c1 530785371 FIGWXUVKELVUQC-UHFFFAOYSA-N 447.207 4.157 5 20 IIBD O=C(Nc1ccc2nc(Cc3ccccc3)oc2c1)c1cc([N+](=O)[O-])cc2c1OCCO2 531558124 KBQOERSWANIILO-UHFFFAOYSA-N 431.404 4.350 5 20 IIBD O=C(c1cc(I)cc([N+](=O)[O-])c1)N(Cc1ccccc1)CC(F)F 534286847 GBCBFAMGMJDWHP-UHFFFAOYSA-N 446.191 4.107 5 20 IIBD Cc1ccc([C@H](C)NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] 535378589 RFORUQZELSGITI-LCMPSIMXSA-N 433.867 4.093 5 20 IIBD C[C@@H](NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc(OCC(F)(F)F)cc1 537061496 OAYGEYHLGVNXMX-CYBMUJFWSA-N 439.390 4.185 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccnc(OC2CCOCC2)c1 539624011 ASSHIJNQHYUQGP-UHFFFAOYSA-N 445.541 4.370 5 20 IIBD Cc1c([C@@H](C)NCCc2cccc([N+](=O)[O-])c2)nnn1-c1cccc(Br)c1 540153521 FXUKZCLMDCKMHL-CYBMUJFWSA-N 430.306 4.140 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@H](C)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] 540208579 VFZDFPRKTGFTKS-XPTSAGLGSA-N 449.348 4.010 5 20 IIBD C[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C(c1ccccc1)c1ccccc1 542555995 IGHPHVFLEOKTMT-MRXNPFEDSA-N 433.464 4.072 5 20 IIBD COc1ccc(NC(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cc1[N+](=O)[O-] 542962905 KOFDNQSXMWZZPG-SNVBAGLBSA-N 430.408 4.490 5 20 IIBD CCCCCN(Cc1ccc(Cl)cc1)C(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 543013199 ZHTNWXGZGKBFDR-UHFFFAOYSA-N 433.892 4.414 5 20 IIBD CCn1c(SC[C@H](O)COc2ccccc2[N+](=O)[O-])nnc1-c1cccc(Cl)c1 543118037 BWEIESLEJKLVAS-OAHLLOKOSA-N 434.905 4.059 5 20 IIBD CC[C@H](NCCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 543493750 XLDRDETUNBFIIM-NSHDSACASA-N 432.424 4.148 5 20 IIBD CC(C)(C)OC(=O)c1ccc(Br)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 544455850 WRUJYJFEPUWARB-UHFFFAOYSA-N 435.274 4.494 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)c1 544639865 OXNWSGPIDUQTLJ-UHFFFAOYSA-N 445.541 4.193 5 20 IIBD CCO[C@@H]1C[C@@H](Nc2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])[C@@]12CCCO2 546055579 YWVKPKSQFOZKKB-XPNTWCBSSA-N 425.485 4.294 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 546070499 GVXPSLPRJKTQPX-QHCPKHFHSA-N 438.505 4.129 5 20 IIBD CCN1CCN(c2ccc(-c3noc(-c4cc5cc([N+](=O)[O-])ccc5s4)n3)cn2)CC1 547102170 FMLSBJBDMAKYJW-UHFFFAOYSA-N 436.497 4.063 5 20 IIBD O=C(c1ccc(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1F)N1CCOCC1 551092078 OZVDBNRSFZZUHQ-UHFFFAOYSA-N 425.416 4.078 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H](C)Cc1ccccc1C(F)(F)F 555029593 HSKCJLUMLVEKHX-ZDUSSCGKSA-N 437.418 4.204 5 20 IIBD COc1ccccc1Oc1ccc(NC(=O)C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1 555299922 VMPYVMLSDZGUMX-UHFFFAOYSA-N 449.463 4.035 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccccc2)c2nc3ccccc3n2C)c1 558756082 XSTVIEYUBULLSN-QFIPXVFZSA-N 430.464 4.400 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] 560186979 BJZVSSBTYOIHKP-MJGOQNOKSA-N 445.903 4.131 5 20 IIBD O=C(c1ccccc1OCc1ccncc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 567095257 WVNGJHOGBYXDSL-UHFFFAOYSA-N 433.464 4.252 5 20 IIBD CC(C)(C(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1)c1ccccc1[N+](=O)[O-] 568055995 QZQAPJGZIIPBBL-INIZCTEOSA-N 438.459 4.468 5 20 IIBD COc1cccc(Cl)c1-c1noc(C)c1-c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 568917010 SNIAHNXDJQLWEZ-UHFFFAOYSA-N 427.804 4.256 5 20 IIBD COc1cc(CN2CC[C@H](C3CCN(C)CC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 572683363 RSPIOFVCCDIGHR-NRFANRHFSA-N 439.556 4.346 5 20 IIBD COCCC[C@H](CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccc(Cl)cc1 578289865 GULAPFXJHWANOK-QGZVFWFLSA-N 447.919 4.363 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc([C@@H]2CC(=O)N(c3ccccc3)C2)no1 579284368 UAHFKKQAACOGGM-GFCCVEGCSA-N 443.257 4.236 5 20 IIBD O=C1NC2(CCCC2)C(=O)N1c1cccc(CNc2ccc([N+](=O)[O-])cc2OC(F)F)c1 589605922 LQAZNSRDUKRRKB-UHFFFAOYSA-N 446.410 4.177 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(CC1CC1)c1cccc(C(F)(F)F)c1 589625556 DXEODYBYTXTZDI-ZDUSSCGKSA-N 435.402 4.175 5 20 IIBD COc1cc(CN2CCC(C(=O)c3ccc(O)cc3)CC2)c([N+](=O)[O-])cc1OC(F)F 598930679 BLSMGBPPOLGEPU-UHFFFAOYSA-N 436.411 4.005 5 20 IIBD COc1cccc2cc(C(=O)N[C@H](CC(=O)OC(C)C)c3ccccc3[N+](=O)[O-])oc12 603606481 DOMPNFZBZCZMCO-MRXNPFEDSA-N 426.425 4.162 5 20 IIBD COc1cc([C@H](C)Nc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])ccc1OC(C)C 603627854 KGPXIXNWYKMYAF-INIZCTEOSA-N 443.500 4.036 5 20 IIBD CCCCOc1ccc(-c2nnc(CN3CCN(c4ccccc4[N+](=O)[O-])CC3)o2)cc1 603840040 TULXFDHDLWLCQV-UHFFFAOYSA-N 437.500 4.146 5 20 IIBD CC(C)(C)c1ccc(C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)nc2)cc1[N+](=O)[O-] 608807959 BUSDMVJJQHCRKN-UHFFFAOYSA-N 434.452 4.431 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)Nc2ccc(C)c(C(N)=O)c2)cc1[N+](=O)[O-] 608947863 DCYWOSBYHKQQIH-UHFFFAOYSA-N 449.488 4.207 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 609254865 YFBGEOFYQSFBCB-SNVBAGLBSA-N 431.317 4.065 5 20 IIBD O=C(NCCOc1ccccc1C(F)(F)F)C1CCN(c2ccccc2[N+](=O)[O-])CC1 609299355 MHTCUUGZEQSNCK-UHFFFAOYSA-N 437.418 4.025 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2cccc(OCc3cccnc3)c2)no1 609475586 SSBFYZOUVIOOLF-HNNXBMFYSA-N 445.435 4.110 5 20 IIBD O=C(NCc1nc[nH]n1)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 609526308 OISUMNOTOJGRAE-LFIBNONCSA-N 440.463 4.068 5 20 IIBD O=C(Nc1nc(Sc2ccccc2)ns1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609762279 NYICAHBTZWWDEO-UHFFFAOYSA-N 425.451 4.104 5 20 IIBD COC[C@H](C)N(C)C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 609815747 ABUDCHDNDKRWAI-LBPRGKRZSA-N 425.844 4.356 5 20 IIBD CCN1CCN(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)CC1 609817940 WCUTUUIPWLZKHM-UHFFFAOYSA-N 436.871 4.027 5 20 IIBD CNC(=O)c1cccc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c1C 609855289 VMDRGCSSQLACRM-UHFFFAOYSA-N 448.266 4.008 5 20 IIBD COc1cc(C(=O)OCC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)ccc1[N+](=O)[O-] 725944615 DODUJURACKUKDC-UHFFFAOYSA-N 426.469 4.075 5 20 IIBD COc1cc(C(=O)Oc2ccc(NC(=O)c3ccc(C)cc3)cc2)c([N+](=O)[O-])cc1OC 726959129 GZDDEWPGESABHR-UHFFFAOYSA-N 436.420 4.392 5 20 IIBD C[C@@H](OC(=O)CCc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 727535717 VGLYENDEYSEKMH-LLVKDONJSA-N 444.337 4.136 5 20 IIBD O=C(NCc1ccccc1F)c1ccc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1 727707757 FYMKYAZCPPDREY-UHFFFAOYSA-N 429.354 4.194 5 20 IIBD COc1ccc(C(=O)NCCCC(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 728164971 FECSHPXXUBUYDK-UHFFFAOYSA-N 445.903 4.210 5 20 IIBD Cc1c(C(=O)NCCCc2nc(-c3ccncc3)cs2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 728716022 FDMQCNTVPIFADP-UHFFFAOYSA-N 441.469 4.001 5 20 IIBD COc1ccc(NC(=O)c2nnc(/C(Cl)=C/c3ccc(OC)c([N+](=O)[O-])c3)s2)cc1 730149887 LSGWFCSEGHDIMB-ZROIWOOFSA-N 446.872 4.453 5 20 IIBD C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1cc2ccccc2s1 730508488 ZQDAZOSGMSFRJV-OCCSQVGLSA-N 427.457 4.179 5 20 IIBD O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(C2SCCS2)cc1 731501143 AYUNNKWVGODIIO-KRWDZBQOSA-N 430.507 4.036 5 20 IIBD CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 731886910 IARAZSBFXXGNHK-UHFFFAOYSA-N 434.537 4.008 5 20 IIBD Cc1ccccc1[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1I)C1CC1 732745740 VUIFAHGJWYWXMG-KRWDZBQOSA-N 436.249 4.389 5 20 IIBD O=C(O[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1cc([N+](=O)[O-])ccc1Cl 733814979 JLXZKYUVSSDMJV-OAHLLOKOSA-N 444.749 4.109 5 20 IIBD CCc1ccc(OC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)c([N+](=O)[O-])c1 734740280 SJGVTBVSCOTYOI-UHFFFAOYSA-N 438.509 4.372 5 20 IIBD O=C(COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)Nc1ccc(N2CCCCCC2)cc1 736864357 RGRXQCMBTYVEQA-UHFFFAOYSA-N 431.876 4.424 5 20 IIBD C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2Br)CCN1Cc1ccccc1 737680683 WAJZEPYGAZRBQI-DOTOQJQBSA-N 446.345 4.482 5 20 IIBD O=[N+]([O-])c1cccc(/C(O)=C(/C(=S)NCc2cccs2)[n+]2cc(O)cc(Cl)c2)c1 738015990 YYZKWQWUVZMNIV-UHFFFAOYSA-O 448.933 4.304 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@@H](C)SCc3ccccc3)CC2)ccc1[N+](=O)[O-] 739382218 WPPHINNMCNYGGQ-MRXNPFEDSA-N 430.526 4.437 5 20 IIBD Cc1ccc(Cn2ccccc2=NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 740084849 AUCNVHLAOOKFIM-UHFFFAOYSA-N 426.270 4.257 5 20 IIBD CSc1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2Br)c1 740422888 OGYPVOPWSIKWRH-SNVBAGLBSA-N 439.287 4.263 5 20 IIBD Cc1cc(F)c(S(=O)(=O)N2CCCc3cc(OC(F)(F)F)ccc32)cc1[N+](=O)[O-] 742028886 LNSAENKMPODJHG-UHFFFAOYSA-N 434.367 4.082 5 20 IIBD COc1ccccc1-c1nn(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(=S)o1 743390948 PYZQMVKAWJEBGU-UHFFFAOYSA-N 442.497 4.290 5 20 IIBD C[C@H](OC(=O)c1c(F)cc(F)cc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 745150092 VKOITJDDOFBHLB-ZETCQYMHSA-N 436.264 4.215 5 20 IIBD C[C@H](CC(=O)c1ccccc1F)C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 745489035 JZGSSGPFYAGXHY-VXGBXAGGSA-N 436.823 4.167 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1cc(Cl)ccc1[N+](=O)[O-] 746066240 CUVSWWWJVSXMDC-KRWDZBQOSA-N 434.876 4.427 5 20 IIBD C[C@H](c1nc(-c2cccs2)no1)N1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 746674415 WGLQWJWQSSEQFG-CYBMUJFWSA-N 433.921 4.239 5 20 IIBD CC(C)(C)OC(=O)NC1(CC(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)CCC1 746851792 AFCRUEBSLJELEV-UHFFFAOYSA-N 445.438 4.323 5 20 IIBD CC(C)OC(=O)c1ccc(COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 747022285 FCWZESPFANITDW-UHFFFAOYSA-N 429.472 4.463 5 20 IIBD Cc1ccc(F)cc1NC(=O)[C@H](C)OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 747961852 KQXCPTFCIJKKOZ-LBPRGKRZSA-N 429.429 4.350 5 20 IIBD CC(C)=CC(=O)Nc1scc(-c2ccccc2)c1C(=O)OCCn1ccc([N+](=O)[O-])n1 748101514 HSNARGPWUZYXMP-UHFFFAOYSA-N 440.481 4.282 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1C[C@H]1c1ccc(Br)cc1 748903298 NFROXZUKOYCBLY-JKSUJKDBSA-N 444.241 4.254 5 20 IIBD O=C(COC(=O)CCc1cccc(F)c1F)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 750251548 RBEURWHJAHIEFX-UHFFFAOYSA-N 432.301 4.006 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])OCc1nc(-c2ccc(F)c(F)c2)no1 751637146 XKHXNYKBKARUGF-UHFFFAOYSA-N 441.799 4.412 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(OCC3CCOCC3)cc2)cc1[N+](=O)[O-] 753078583 JSNJDNYSDRLAJC-UHFFFAOYSA-N 440.905 4.163 5 20 IIBD CCCC(=O)Nc1cccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c1 754635665 JMAVCFLUDPLUDD-UHFFFAOYSA-N 438.253 4.165 5 20 IIBD C[C@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 759999784 YJZGMYHQUCIDTH-JXFKEZNVSA-N 427.501 4.156 5 20 IIBD CC(=O)N(CCc1ccccc1)CC(=O)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 761669674 MYOBUANYBFZYKH-UHFFFAOYSA-N 429.904 4.082 5 20 IIBD O=C(NCc1ccco1)NCc1nc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)no1 761858831 RABHSKRBNUSEHX-UHFFFAOYSA-N 435.396 4.030 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 762449438 MUKKRLYIBHIYJA-UHFFFAOYSA-N 439.833 4.064 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N(C)C(C)C)c(F)c1 762476524 HAYNFVINOCEKRN-UHFFFAOYSA-N 449.504 4.486 5 20 IIBD C[C@H](C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Br)cc1 766997502 PYYFXWCSLSSDJV-JTQLQIEISA-N 441.665 4.296 5 20 IIBD CC(=O)Nc1ccc(Cl)c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 768099538 HEONPXFNHFBHAT-SECBINFHSA-N 440.239 4.044 5 20 IIBD Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1CNCCn1cc([N+](=O)[O-])cn1 769422619 GMZLNPVBIMNTAG-UHFFFAOYSA-N 443.722 4.095 5 20 IIBD Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] 769881479 KARNHFULBUKYEX-UHFFFAOYSA-N 439.493 4.481 5 20 IIBD O=C(OCC1CCC(C(F)(F)F)CC1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 770373132 HJRHHQYTZPHXTH-BPCQOVAHSA-N 434.436 4.173 5 20 IIBD O=C(Cc1cc(Cl)ccc1Br)OCc1cc([N+](=O)[O-])cc2c1OCOC2 771394187 XEOWQILMTTVDCR-UHFFFAOYSA-N 442.649 4.163 5 20 IIBD C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 771984059 BLKICDVYOTXTMI-FUHWJXTLSA-N 434.537 4.005 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1ccc(Sc2ccncc2)cc1 772483768 KYGUUORAQGJHNS-UHFFFAOYSA-N 442.884 4.049 5 20 IIBD COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)c1 773466820 HCBQEIORDMPNLW-ZFWWWQNUSA-N 436.258 4.221 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@H](c1cc(F)cc(Br)c1)C1CC1 775960471 XLPWRBDMLILVTA-SFHVURJKSA-N 441.228 4.282 5 20 IIBD O=C(Oc1ccc(Sc2ccncc2)cc1)c1cccc([N+](=O)[O-])c1N1CCOCC1 776314392 PUIABCRFVCDUGH-UHFFFAOYSA-N 437.477 4.197 5 20 IIBD O=C(Nc1nc2ccc(I)cc2s1)c1cc(F)ccc1[N+](=O)[O-] 777852641 DMKSWJCZIWFBST-UHFFFAOYSA-N 443.197 4.201 5 20 IIBD CC1(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCN(C(=O)OC(C)(C)C)CC1 778082427 NBVUOYVPIZTJPR-UHFFFAOYSA-N 449.551 4.061 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(-c2ccccc2)cc1F 778174491 NZABUHIYWOKGBR-UHFFFAOYSA-N 441.846 4.352 5 20 IIBD O=C(N1CCO[C@H](c2ccc(Br)cc2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 778243333 CUACAUIBQPFORO-INIZCTEOSA-N 441.228 4.049 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 780475050 BCGUCRAQSYEPAX-OAHLLOKOSA-N 437.562 4.426 5 20 IIBD Cc1ccc([C@H](NC(=O)COC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C2CC2)cc1 781258235 ARTKWHVIYYBPSU-VWLOTQADSA-N 440.499 4.414 5 20 IIBD C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1Br)C(=O)Nc1cc(Cl)ccc1F 781675286 RGJKNFASOUPWBB-MRVPVSSYSA-N 445.628 4.334 5 20 IIBD O=C(NCc1ccc(N2CCOC2=O)cc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 783550034 ZKQASIMVSPMDLP-UHFFFAOYSA-N 446.463 4.094 5 20 IIBD COc1cccc(C(=O)OCC(=O)N(C)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 785019817 UOWRATBOQBYWAJ-UHFFFAOYSA-N 434.448 4.008 5 20 IIBD CN1C(=O)C[C@@H](C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)[C@@H]1c1ccc(Cl)c(Cl)c1 792525497 OEQDYFDXOKJNQF-XLFHBGCDSA-N 444.221 4.338 5 20 IIBD COC(=O)c1c(Br)ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1C 792698749 OEJQEPIIBRMPRX-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD O=[N+]([O-])c1ccc(Br)c2c1CN(Cc1nnc(-c3cccc(F)c3)o1)CC2 792897936 OKCCIIVRLGCDKW-UHFFFAOYSA-N 433.237 4.105 5 20 IIBD Cc1nc2c(C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)cccc2o1 795700680 XMAUHOLLQJTWOG-VIFPVBQESA-N 437.330 4.247 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)OCc1nc(O)c2ccc(C(F)(F)F)cc2n1 795708412 BVKYLVWEFAXSNC-UHFFFAOYSA-N 437.330 4.018 5 20 IIBD C[C@H](Oc1ccc2ccccc2c1)C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 795728254 LVJPVVPLOSRQQX-ZDUSSCGKSA-N 428.828 4.351 5 20 IIBD CC(C)(C(=O)OCc1csc(CC(=O)Nc2ccccc2)n1)c1ccccc1[N+](=O)[O-] 796445626 NIAGNPAEVRIALF-UHFFFAOYSA-N 439.493 4.254 5 20 IIBD O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 798124973 WNOXYSIBVJXBSA-UHFFFAOYSA-N 444.491 4.377 5 20 IIBD CC(C)N(C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(CC(=O)N(C)C)cc1 799447161 PCMGQSHDOBEWAN-HNNXBMFYSA-N 447.919 4.088 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)Cn1nc(COc2ccccc2Cl)n(C)c1=S 800865700 ICJYTFSUTZBYAX-UHFFFAOYSA-N 447.948 4.224 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Oc2cccnc2)cc1 807542509 WIEQBFFDLKPIHP-ZDUSSCGKSA-N 440.843 4.251 5 20 IIBD CC(=O)c1cc(Br)ccc1OCC(=O)Nc1c(F)ccc([N+](=O)[O-])c1C 808810173 YSZPTWBEJQYCJM-UHFFFAOYSA-N 425.210 4.025 5 20 IIBD Cc1cc(-c2noc(-c3cc([N+](=O)[O-])ccc3N3CCCCC3)n2)ccc1-n1cncn1 809421491 NQQBHDXTOMBZOA-UHFFFAOYSA-N 431.456 4.191 5 20 IIBD C[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C[C@@H](c2ccccc2)O1 809810030 IOBUSSXLSZLZOL-ZBEGNZNMSA-N 431.297 4.052 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCC[C@@H]1c1ccccc1 810356560 MMMBXZXMVNRQSA-NVXWUHKLSA-N 446.301 4.138 5 20 IIBD CC(C)S(=O)(=O)c1cccc(C(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 811086040 LVZMFBNLAFCWRG-UHFFFAOYSA-N 432.281 4.441 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N1CC[C@@H](n2cccn2)C1 812875001 KVCAXYBCVGPKIP-YLJYHZDGSA-N 425.876 4.072 5 20 IIBD Cc1cc(OCC(=O)N2CCN(C(=O)OC(C)(C)C)c3ccccc32)ccc1[N+](=O)[O-] 813281033 OQGLRVISODPCLG-UHFFFAOYSA-N 427.457 4.070 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N[C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)cc1[N+](=O)[O-] 813669877 LUGYCYQPRZQDNL-QAPCUYQASA-N 432.521 4.053 5 20 IIBD CC1(CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CCN(C(=O)OC(C)(C)C)CC1 813711760 TVTXQKRKEXCDPX-UHFFFAOYSA-N 434.537 4.166 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC12CCC2 816848380 ZOQVIDQPEIATQN-SFHVURJKSA-N 446.548 4.225 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2cccc(Br)c2[N+](=O)[O-])C1 820676752 RMBIMSSJQOIAAT-CHWSQXEVSA-N 428.327 4.487 5 20 IIBD COc1ccc(-c2nnc(S/C=C/c3ccc([N+](=O)[O-])o3)n2C[C@H]2CCCO2)cc1 825212822 SIEWHXMUDIYFNE-DPCFLFMUSA-N 428.470 4.397 5 20 IIBD COc1cc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)ccc1OC(F)F 857556051 KNMUHDGODVEPRW-UHFFFAOYSA-N 449.454 4.467 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)/C=C/c3cccs3)cc2)cc1[N+](=O)[O-] 913461707 NMZWIXWIGOJQOC-PKNBQFBNSA-N 443.506 4.417 5 20 IIBD Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)c2cc3cc([N+](=O)[O-])ccc3[nH]2)o1 917328506 OZSYIYWUHNRLQL-UHFFFAOYSA-N 445.391 4.447 5 20 IIBD C[C@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1cc2c(cc1Br)OCCO2 917788339 YUWOYNXMACNHPF-KMSCOEIWSA-N 433.258 4.019 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC[C@@H]1c1ccc(Br)cc1 918194637 JFUZDHVNVHGPMK-CQSZACIVSA-N 429.267 4.022 5 20 IIBD Cc1cc(-c2noc(CCC(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)n2)ccc1F 918228264 NUZXKWXUWXXFJT-UHFFFAOYSA-N 432.839 4.337 5 20 IIBD O=C(OCCOc1ccccc1[N+](=O)[O-])c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 918887482 RQJXTPJIMDQTCV-JOCHJYFZSA-N 433.416 4.285 5 20 IIBD C[C@@H](OC(=O)[C@@H](C)Sc1ccccc1Cl)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 919508055 YMXQJHKFRRJTDK-GHMZBOCLSA-N 426.853 4.438 5 20 IIBD Nn1c(SCCOc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Cl)cc1Cl 921267234 ZLOJXBSKNXLUGW-UHFFFAOYSA-N 426.285 4.045 5 20 IIBD O=[N+]([O-])c1cc2c(c(CSc3ccc(S(=O)(=O)C(F)(F)F)cc3)c1)OCOC2 1116191785 OUCHUQOHXTVMFZ-UHFFFAOYSA-N 435.401 4.047 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1 1319764327 AKRZAWRWGSEPKW-UHFFFAOYSA-N 427.464 4.179 5 20 IIBD CSc1ccc(C)c(C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 1322158178 LCJHPPBBBDMTEH-UHFFFAOYSA-N 428.388 4.439 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1-c1nnc(-c2cccc(S(=O)(=O)N3CCCC3)c2)o1 1322360578 MEVIQPODXPBILT-UHFFFAOYSA-N 442.497 4.022 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(-c2cccc3ncccc23)o1 1322904207 PEKJPZAFBGNNKQ-LJQANCHMSA-N 449.492 4.417 5 20 IIBD CCOc1cc(-c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)o2)c([N+](=O)[O-])cc1OC 1326377824 GHFYTQDFKZIETL-CYBMUJFWSA-N 448.476 4.167 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(-c3nnc(CNC(=O)c4cccs4)o3)cc2[N+](=O)[O-])C1 1328415489 TXSINEFXNGTZAS-KBPBESRZSA-N 441.513 4.119 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)[nH]n1)C1CCCC1 1816675919 JRTPYQAPZACQAP-HXUWFJFHSA-N 439.516 4.133 5 20 IIBD Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C3CC3)CC2)cc1[N+](=O)[O-] 1824215075 UBZGKAMGELCYHM-DGSRBQDKSA-N 439.556 4.032 5 20 IIBD CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CSc2ccccc2[N+](=O)[O-])CC1 1826398353 GBMJXCAKCVFUAY-GOSISDBHSA-N 433.574 4.107 5 20 IIBD O=C(c1cccs1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830615837 GMRKDRJJYPHWQX-GOSISDBHSA-N 445.516 4.343 5 20 IIBD CC(C)N(C(=O)[C@@H](C)OC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C(C)C 7196513 MDELGQWRUIIVIO-QGZVFWFLSA-N 427.501 4.398 5 20 IIBD O=C(COC(=O)c1nc(Cl)ccc1Cl)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 9646841 YVHRDZZKAQODPT-UHFFFAOYSA-N 438.145 4.111 5 20 IIBD O=C(CCSc1nc2ccccc2s1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 16057992 PYZPKQCWYGFIHK-UHFFFAOYSA-N 428.539 4.036 5 20 IIBD O=C(OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cc(-c2ccco2)nc2ccccc12 22929003 IVZHXDFMDLYELS-UHFFFAOYSA-N 443.415 4.149 5 20 IIBD COc1cccc(CNc2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccccc2OC)c1 23380869 GUOLYVYCBHGENC-UHFFFAOYSA-N 443.481 4.025 5 20 IIBD O=c1c2c3n(c(SCc4ccc([N+](=O)[O-])cc4)nc-2nn1-c1ccccc1)CCCCC3 29738556 XXDUNNPBRSAWMA-UHFFFAOYSA-N 447.520 4.461 5 20 IIBD CC1(C)CN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)CCO1 30195473 DDAFADXTDITOLC-GOSISDBHSA-N 448.317 4.148 5 20 IIBD Cc1nn(-c2ccccc2)cc1CCCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 58978935 KKQSETFQSZPYKB-UHFFFAOYSA-N 447.539 4.054 5 20 IIBD COc1ccc([C@H]2CCCN2C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 64722713 HMZBDJUDPXUANY-SUMWQHHRSA-N 434.876 4.396 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NCc1csc(-c2ccco2)n1 301669765 NGGZDGJZDZGUQD-UHFFFAOYSA-N 433.389 4.217 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@@H]1CCCO[C@@H]1c1ccccc1 409564310 YILALGRZWWXKPO-CCLHPLFOSA-N 426.516 4.439 5 20 IIBD Cc1c(NC(=O)C(=O)N2CCc3sccc3[C@@H]2c2cccs2)cccc1[N+](=O)[O-] 429814482 VKRZZQHMTHZACW-GOSISDBHSA-N 427.507 4.139 5 20 IIBD C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)CCN1Cc1ccccc1 430633960 CTPSZRDWGJTMKL-GOEBONIOSA-N 432.318 4.140 5 20 IIBD O=C(NC[C@H]1CCC(F)(F)C1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 431120748 VHEOARVVBUCESF-LBPRGKRZSA-N 435.393 4.382 5 20 IIBD CSc1nnc(CCCNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])n1C1CCCC1 431793976 DQZFRXLHBLQICM-UHFFFAOYSA-N 431.562 4.050 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3cccc(COC(C)C)c3)CC2)ccc1[N+](=O)[O-] 431988037 VJLAWKYIWFYLJZ-UHFFFAOYSA-N 442.516 4.273 5 20 IIBD CN(C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccccc1Oc1ccccc1 435754716 YGKBVDSVWSCCHB-UHFFFAOYSA-N 445.431 4.317 5 20 IIBD C[C@H](c1noc(-c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2O)n1)C(C)(C)C 436931784 MJDGBYZXSBRWSI-GFCCVEGCSA-N 446.485 4.301 5 20 IIBD C[C@@H](NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc(C(C)(C)C)no1 437135462 RWAJJZPLVMLUGB-SECBINFHSA-N 432.424 4.264 5 20 IIBD CCOc1cc(NC(=O)N2CC[C@H](COCc3ccccc3)C2)c([N+](=O)[O-])cc1OCC 437624227 MRDNAKPQOOMAOZ-SFHVURJKSA-N 443.500 4.463 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N2CC[C@H]([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] 441566562 DTGYNPIXSAFIMC-DLBZAZTESA-N 440.521 4.046 5 20 IIBD CN(Cc1cc(Br)cn1C)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444230347 YAZXZJQQIAKYMM-UHFFFAOYSA-N 442.288 4.194 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCC[C@@]2(C1)OCc1ccccc12 444324277 DDIYREPZGRMCSZ-SANMLTNESA-N 428.463 4.482 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1cccc(-c2ccc3c(c2)CCO3)c1 444949380 JYVUPYBDJSGPCL-UHFFFAOYSA-N 429.436 4.395 5 20 IIBD Cc1cc(Oc2ncccn2)ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 445910028 MXNLGNMJULMBAW-UHFFFAOYSA-N 443.257 4.429 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3ccc(OC(F)F)cn3)cc2[N+](=O)[O-])C1 446575076 HVWWEOOPFFQVCL-ZIAGYGMSSA-N 434.443 4.004 5 20 IIBD CCCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c(C)c1 446996027 IFZLVSISTGTABL-UHFFFAOYSA-N 429.292 4.255 5 20 IIBD NC(=O)CSc1ccccc1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 447133512 PTHGEUNKFXCCFY-UHFFFAOYSA-N 437.477 4.004 5 20 IIBD O=C1N[C@]2(CCc3cc(Cl)ccc32)C(=O)N1Cc1ccc([N+](=O)[O-])cc1C(F)(F)F 448098144 UGNDTEWRIYZYDT-SFHVURJKSA-N 439.777 4.161 5 20 IIBD O=C(c1ccc(C(=O)N2CC3(CCC3)[C@H]2C2CC2)cc1[N+](=O)[O-])N1CC2(CCC2)[C@@H]1C1CC1 461195036 MFCXZJGSGYXCJR-YADHBBJMSA-N 449.551 4.404 5 20 IIBD CC(C)N1Cc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)c2C1 461404779 RLRLWATZOMKZIW-UHFFFAOYSA-N 429.420 4.138 5 20 IIBD C[C@H](c1c(F)cccc1F)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 461584757 ZIEWKKSHKWIRQQ-HUUCEWRRSA-N 443.454 4.365 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 464052061 WWOFFCNUMYYHRF-FQEVSTJZSA-N 438.871 4.104 5 20 IIBD Cc1nc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nn1-c1ccccc1C(C)C 464628676 JAIIPNOPWYGYFO-UHFFFAOYSA-N 449.511 4.291 5 20 IIBD CC(C)(CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)Cc1cccc(Cl)c1 465046364 LTOGSVNVAARPAR-MRXNPFEDSA-N 449.960 4.299 5 20 IIBD C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cc2nnc3n2CCCCC3)cc1 467644776 BBZPJJKGHHNMQC-QGZVFWFLSA-N 448.527 4.333 5 20 IIBD C[C@@H]1OCC[C@@]1(O)CN(Cc1ccccc1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 468735197 QABGFRCRDCFUDM-BXKMTCNYSA-N 426.513 4.075 5 20 IIBD CC1(c2ccc(Cl)cc2)CCN(C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 472236654 FHZNJJVSZAKMIW-UHFFFAOYSA-N 427.892 4.388 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1 472613308 ZYOLIWKXHRERDN-LJQANCHMSA-N 445.809 4.371 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(Br)cc1OC(F)(F)F 476087755 YMJGHESYNODJLH-UHFFFAOYSA-N 435.152 4.273 5 20 IIBD COC(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(Cl)cc1 477501752 FTTMMEDKMCSRCD-HNNXBMFYSA-N 441.665 4.045 5 20 IIBD Cc1cn(-c2cccc(NC(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)c2)c(O)n1 477809811 HOUIKNFHSWSXAY-UHFFFAOYSA-N 431.246 4.118 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1cc(Br)ccc1N1CCCC1 479292832 PQAQASSXCUVDDN-UHFFFAOYSA-N 433.306 4.322 5 20 IIBD O=C([C@H]1CCC(F)(F)C1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 479737264 CHKMAEKXKHVODK-HNNXBMFYSA-N 435.496 4.403 5 20 IIBD CCCOc1cc(NC(=O)N[C@@H]2CCCc3nc(O)ccc32)c([N+](=O)[O-])cc1OCCC 480001902 MMHYHYFIRGMLOT-MRXNPFEDSA-N 444.488 4.472 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(F)cc1C(F)(F)F 480641589 BQUWPBLXOAGSEJ-UHFFFAOYSA-N 432.395 4.421 5 20 IIBD CC1CCN(C(=O)c2ccc(NC(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 481642104 RAPLUHYTZAWVNZ-UHFFFAOYSA-N 444.919 4.485 5 20 IIBD O=[N+]([O-])c1ccccc1/C=C/CNc1ccccc1N1CCN(CCc2ccncc2)CC1 482543026 HZNJJELMDOKUOY-FNORWQNLSA-N 443.551 4.480 5 20 IIBD O=C(Nc1nnc(Cc2ccccc2F)s1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 483053523 BLMAHHRQSBKTBV-UHFFFAOYSA-N 427.461 4.373 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)NCCOc1ccc(Br)cc1C(F)(F)F 486439978 VMDNEZSZJALNRV-UHFFFAOYSA-N 447.207 4.493 5 20 IIBD CCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)[C@H](c1cccnc1)c1ccc(F)c(F)c1 496536449 PNOXDJGYZXAMBR-NRFANRHFSA-N 437.406 4.396 5 20 IIBD COc1cc([C@H](C)NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc(OC)c1OC 498419363 JKECHXHYWFAZPJ-LBPRGKRZSA-N 443.481 4.235 5 20 IIBD COc1cccc(Oc2ccc(CNC(=O)c3cc(SC)ccc3[N+](=O)[O-])cn2)c1 501410283 ZAVUUNDWGQLURS-UHFFFAOYSA-N 425.466 4.443 5 20 IIBD CCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)CC(=O)Nc1ccccc1 502919628 OMATWKGAKCIDQI-HNNXBMFYSA-N 432.908 4.316 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(Br)cc1F 507248907 YQBQFOVJGBMXMI-WDEREUQCSA-N 440.269 4.183 5 20 IIBD COC[C@H](C)n1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1-c1ccccc1 508764770 QWSLKLVDYJVNEF-HNNXBMFYSA-N 441.513 4.100 5 20 IIBD CC[C@@H](C)n1nc(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)cc1C 509330235 FAXSVLHPFCBYEP-SECBINFHSA-N 442.257 4.236 5 20 IIBD Cc1sc(NC(=O)c2ccccc2S[C@@H](C)C(N)=O)nc1-c1cccc([N+](=O)[O-])c1 509538341 IMBWINRMAQJCJF-LBPRGKRZSA-N 442.522 4.245 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl 509566215 DIMACDHOHPUDSW-UHFFFAOYSA-N 439.921 4.092 5 20 IIBD COc1cc(C(=O)N2C[C@@H](C)N(C)C[C@@H]2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 509622301 YYIFKVYHKRYQOM-KGLIPLIRSA-N 433.892 4.214 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2ccc(Cl)c(C[S@](C)=O)c2)cc1[N+](=O)[O-] 510046662 WLNWJHHOLTYPPI-VWLOTQADSA-N 445.722 4.450 5 20 IIBD CCOc1cc(F)ccc1NC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 510536269 ZLZQUXDGSKSHSR-KRWDZBQOSA-N 433.436 4.337 5 20 IIBD COc1cc(F)c([C@@H](C)NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1OC 510707592 ULOMGOQHGLDRGO-LLVKDONJSA-N 431.445 4.366 5 20 IIBD CCOC(=O)c1csc(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)n1 511227423 BYBPXHKNPAIQFX-UHFFFAOYSA-N 443.506 4.309 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 512760723 QVPBOAOPZNSVRW-UHFFFAOYSA-N 446.794 4.254 5 20 IIBD C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)NCc1ccc([N+](=O)[O-])cc1)OCCO3 517499364 VMXQSPSHMLAKMX-MRXNPFEDSA-N 437.496 4.464 5 20 IIBD Cc1ccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1NC(=O)CN1CCCCC1 521500635 IQCKVRHFYCSGAJ-UHFFFAOYSA-N 435.484 4.061 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc3ncnc(O)c3c2)cc1 522180292 ZFCOLIGZLXSYQY-UHFFFAOYSA-N 432.392 4.297 5 20 IIBD CCCNC(=O)CCC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 522734942 LYVMQFPNUGMHOF-UHFFFAOYSA-N 437.855 4.102 5 20 IIBD O=c1c(Cl)c(NCCOc2cccc3ccccc23)cnn1-c1ccc([N+](=O)[O-])cc1 523297193 DZKVHSAVNMLFRC-UHFFFAOYSA-N 436.855 4.438 5 20 IIBD CC(C)(C(=O)Nc1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 523528055 FZFVGLGTTHZNKD-UHFFFAOYSA-N 439.493 4.312 5 20 IIBD CC[C@H](C)n1ncc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)c1C1CC1 534980683 XIAFZPFWDRZJAN-AWEZNQCLSA-N 433.534 4.168 5 20 IIBD CC(=O)N1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c2ccccc21 535319366 DVHZZGZYDXOOEY-QHCPKHFHSA-N 444.491 4.435 5 20 IIBD C[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1noc(-c2ccc(Cl)cc2)n1 535441535 RGEZVKWUOQSIBJ-LLVKDONJSA-N 425.832 4.199 5 20 IIBD CN(C)c1nnc(-c2ccc(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)cc2)o1 536501415 FMFCJJAJPGELTR-UHFFFAOYSA-N 436.453 4.087 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H](CO)c1cccc(Br)c1 537619393 DGEWXNWRXKKASO-OAHLLOKOSA-N 431.233 4.124 5 20 IIBD CC(C)N(Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1)C[C@H]1CCCCO1 538269154 UIRFOKYBYAWALD-HXUWFJFHSA-N 427.501 4.332 5 20 IIBD CSc1nnc(CCCNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)n1C1CCCC1 539847251 OOANBLPJKQBFTE-UHFFFAOYSA-N 431.562 4.311 5 20 IIBD COC(=O)COc1ccc(N(C)C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1 542288760 VZHXDZZRFMNGEY-UHFFFAOYSA-N 449.463 4.035 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 542714169 UWFLWQVXZRTEAE-UHFFFAOYSA-N 434.493 4.344 5 20 IIBD Cc1ccc(CNC(=O)c2cccc(CNC(=O)CSc3ccccc3[N+](=O)[O-])c2)cc1 543150139 MXTAYEJEBFLGJY-UHFFFAOYSA-N 449.532 4.242 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)CC1(CC(=O)Nc2nccs2)CCCCC1 543357412 UPXCVKJHSQUUSO-UHFFFAOYSA-N 446.529 4.046 5 20 IIBD COc1cc(CCNC(=O)Nc2cc(F)c(OC(C)C)c(F)c2)c([N+](=O)[O-])cc1OC 544266471 BKJLFIXQFZKGAM-UHFFFAOYSA-N 439.415 4.042 5 20 IIBD CO[C@H](C)c1noc(CCc2nc(-c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3)no2)n1 547190350 FTMFTOUOTGWGGE-CYBMUJFWSA-N 437.412 4.313 5 20 IIBD Cc1c(Cc2noc(CSc3nnc(-c4cccs4)n3C)n2)cccc1[N+](=O)[O-] 547191550 NFJAMPREFOAZEW-UHFFFAOYSA-N 428.499 4.026 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])c1nnc(CCCc2ccccc2)n1C[C@H]1CCOC1 549587117 LVSKGJKUECGSAQ-HXUWFJFHSA-N 435.528 4.035 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cccc([C@@H](C)N2CCOCC2)c1 550298163 UQOCRJLTWYYGOV-CQSZACIVSA-N 448.317 4.311 5 20 IIBD CC(C)(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1csc(-c2c(F)cccc2F)n1 550948640 JMMFNHDHZSICBU-UHFFFAOYSA-N 447.463 4.469 5 20 IIBD CC[C@H](c1ccccc1OC)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br 554308602 BAKHILBDOLCGSG-QGZVFWFLSA-N 436.306 4.388 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 557566511 SDUQGAQQFNLYEJ-PLXFJCCSSA-N 438.527 4.186 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1noc(-c2ccccc2)n1 559547648 OWDVWSHTTYTYNL-NSHDSACASA-N 431.246 4.207 5 20 IIBD CCc1cccc2c(Cc3noc(-c4cccc([N+](=O)[O-])c4N4CCOCC4)n3)c[nH]c12 561897204 QNLIBOKLCFWSTB-UHFFFAOYSA-N 433.468 4.116 5 20 IIBD Cn1ncc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1-c1ccccc1 563328629 MEYXYRHTOFCCIW-UHFFFAOYSA-N 427.269 4.103 5 20 IIBD CSc1ccc([C@H](CN[C@@H](c2ccc([N+](=O)[O-])cc2)c2nccn2C)N(C)C)cc1 567395991 NIVJVKMJDBHMPK-SFTDATJTSA-N 425.558 4.032 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(N(C(C)=O)[C@@H]3C[C@@H]3C)cc2)cc1OC 573128750 NHLIBMDLMVGRJW-SCLBCKFNSA-N 427.457 4.016 5 20 IIBD CCc1ccc([C@H]2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)C2)cc1 575773192 YGIFEVVJZLNESM-GMAHTHKFSA-N 435.524 4.086 5 20 IIBD O=[N+]([O-])c1ccc2c(ccn2Cc2nc(-c3cn4ccc(Br)cc4n3)no2)c1 576794443 MPDVPHOLMIVMGN-UHFFFAOYSA-N 439.229 4.058 5 20 IIBD CCN(C(=O)Cc1ccc(NC(=O)CNc2ccccc2[N+](=O)[O-])cc1)c1ccccc1 579820118 SKPZHYBMFHOSTN-UHFFFAOYSA-N 432.480 4.241 5 20 IIBD O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 580489068 SYSRTHLNBLBZGK-UHFFFAOYSA-N 444.463 4.069 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)cc1C 581266768 BUBBNEASITXVMM-KRWDZBQOSA-N 445.541 4.335 5 20 IIBD COC[C@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)OCCc2ccccc21 583966463 DIFYKGFABFRINZ-QHCPKHFHSA-N 444.553 4.187 5 20 IIBD COc1cc(CNCCc2ccc3c[nH]nc3c2)c([N+](=O)[O-])cc1OCc1ccccc1 585743362 CMBJSZWPVXGWSJ-UHFFFAOYSA-N 432.480 4.391 5 20 IIBD CCCc1[nH]nc(C(=O)Nc2ncc(-c3ccc(Br)cc3)s2)c1[N+](=O)[O-] 588781697 YLMGJLAFVIQCHG-UHFFFAOYSA-N 436.291 4.409 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCCC[C@@H]1[C@H]1CCCC[C@H]1O 590537321 GHUXDVSAEREIBJ-SZVBFZGTSA-N 443.466 4.348 5 20 IIBD O=C(CSc1ncnc2sc3c(c12)CCCC3)N1CCc2ccc([N+](=O)[O-])cc21 597404822 MQIIXXHTUMTMIQ-UHFFFAOYSA-N 426.523 4.160 5 20 IIBD COc1cccc2c1O[C@H](c1ccc(-c3ccc([N+](=O)[O-])cc3Br)o1)NC2=O 603805397 FLXFHWNFGRXPHZ-LJQANCHMSA-N 445.225 4.447 5 20 IIBD COc1cc([C@H](C)Nc2nc3sccn3c2[N+](=O)[O-])ccc1OCc1ccncc1 603869127 SFMYKEBZQQQDMB-ZDUSSCGKSA-N 425.470 4.460 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 604040246 BJFGWDAQBBBIBQ-OAHLLOKOSA-N 431.297 4.436 5 20 IIBD CCc1ccc([C@@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C(C)C)cc1 604134685 XVNOWMGGJNNJOL-SFHVURJKSA-N 435.427 4.211 5 20 IIBD O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@H]1CCCN(c2nc3ccccc3s2)C1 608789362 WLHCCACASBGICC-HNNXBMFYSA-N 448.508 4.450 5 20 IIBD Cc1ccccc1NC(=O)[C@H]1CCc2ccccc2N1C(=O)Cc1ccc([N+](=O)[O-])cc1 608799699 BYCPSBYHUODRLY-HSZRJFAPSA-N 429.476 4.432 5 20 IIBD C[C@@H](c1cc(F)ccc1F)N(C)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 609418683 LZHXRCBJJJGHMH-VIFPVBQESA-N 435.246 4.017 5 20 IIBD CN(CCOc1ccccc1)C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 609853305 LUIAOKJTIVQFSP-UHFFFAOYSA-N 435.267 4.238 5 20 IIBD CC(C)(C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccc([N+](=O)[O-])cc1 610044592 FMGHAMDWVNNOLI-UHFFFAOYSA-N 429.432 4.312 5 20 IIBD COc1cccc(Cl)c1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 610221129 BJBYRCQFTCRSDU-UHFFFAOYSA-N 443.809 4.238 5 20 IIBD CCOc1cc(NC(=O)[C@@H](c2ccccc2)N2CCCCC2=O)c([N+](=O)[O-])cc1OCC 610222409 SBLPMBAIHGDJBT-JOCHJYFZSA-N 441.484 4.085 5 20 IIBD CN(C)C(=O)c1cccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)c1 611206349 KXNWTDZGXWUEGK-UHFFFAOYSA-N 441.553 4.304 5 20 IIBD O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 612391611 KHORKWZMKGCVGV-UHFFFAOYSA-N 437.502 4.390 5 20 IIBD C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1cccc([N+](=O)[O-])c1 617687793 HPSQTUWCDDKBJY-INIZCTEOSA-N 439.493 4.162 5 20 IIBD O=C(COC(=O)[C@H](OC1CCCC1)c1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] 727017480 MUTCJNRZKJWLHH-HXUWFJFHSA-N 432.860 4.430 5 20 IIBD Cc1nccn1CCCC(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 727645936 DBBZKSQEPZYEDF-UHFFFAOYSA-N 442.859 4.391 5 20 IIBD COc1cc(C(=O)N2CCc3c(C)cccc3C2)c([N+](=O)[O-])cc1OCc1cscn1 729415143 OJFQTSBIZSONOF-UHFFFAOYSA-N 439.493 4.146 5 20 IIBD C[C@@H](OC(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 730632199 URFKZCNUDKAZHD-GFCCVEGCSA-N 447.419 4.265 5 20 IIBD COc1ccccc1[C@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 731036659 DRPKHDNWTYBEES-HXUWFJFHSA-N 432.885 4.325 5 20 IIBD C[C@@H](OC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 731528025 SISLBAJDKAYAOY-NXEZZACHSA-N 429.231 4.463 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)cc([N+](=O)[O-])c1 731833412 ZNRAHQNUSNXPEA-HXUWFJFHSA-N 446.887 4.011 5 20 IIBD Cc1c(C(=O)Nc2ccccc2CN(C)C(=O)OC(C)(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] 731982828 YFPUQCYXZRHLKL-UHFFFAOYSA-N 444.444 4.431 5 20 IIBD CC(C)(C)OC(=O)NCCc1ccc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1 736011110 OSGSGYCURYIVGD-UHFFFAOYSA-N 433.892 4.245 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 736865810 FAOUYFYIRJHEPL-SNVBAGLBSA-N 427.240 4.403 5 20 IIBD COC(=O)c1cccc(-c2nc(COC(=O)CSc3ccccc3[N+](=O)[O-])cs2)c1 741827143 GITZKODSLOMGAJ-UHFFFAOYSA-N 444.490 4.340 5 20 IIBD Cc1cc(C(=O)NC2CCCCC2)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1F 742027348 BPNFMWBQWMBODK-UHFFFAOYSA-N 449.504 4.214 5 20 IIBD C[C@H](OC(=O)[C@H](C)CC(=O)c1cccc(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 745399435 SSSRXXPHFKJMBW-NEPJUHHUSA-N 436.823 4.167 5 20 IIBD C[C@H](OC(=O)[C@H](C)c1ccc(Br)s1)C(=O)Nc1cccc([N+](=O)[O-])c1 745642169 ZWHNCUULQCVJLB-ZJUUUORDSA-N 427.276 4.093 5 20 IIBD CC(C)(C)OC(=O)Nc1cc2ccccc2cc1C(=O)OCCn1cc([N+](=O)[O-])cn1 748118873 NCCDDAXBXUWCJH-UHFFFAOYSA-N 426.429 4.149 5 20 IIBD COc1cc(/C=C2\N=C(c3ccc([N+](=O)[O-])c(C)c3)OC2=O)ccc1OCC(F)(F)F 751034491 ARORHHRSNLPDHR-ZSOIEALJSA-N 436.342 4.197 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Br)N1CCC(c2nc3ccccc3[nH]2)CC1 751073236 UGQNIJJEBSDUIF-UHFFFAOYSA-N 429.274 4.253 5 20 IIBD CC(C)[C@@H](OC(=O)c1c(F)ccc([N+](=O)[O-])c1F)C(=O)Nc1cccc2ncccc12 752569345 YLGAGUAZLSEOQG-LJQANCHMSA-N 429.379 4.241 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)c2c1N(C(=O)CCn1cc([N+](=O)[O-])nc1C)CCC2 753719259 FCVCLNLOLSNQIT-UHFFFAOYSA-N 443.504 4.125 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2 755108045 ZNKYEFHDBHISMY-UHFFFAOYSA-N 447.447 4.190 5 20 IIBD O=C1CCCN1CC[C@H]1CN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c2ccccc21 757264087 WHNXVWZWMYUGBV-HNNXBMFYSA-N 442.903 4.074 5 20 IIBD Cc1cc(F)cc(C(=O)Nc2ccc(Oc3ccc(S(C)(=O)=O)cc3)cc2)c1[N+](=O)[O-] 758468018 SWRXZXFPIRDDQF-UHFFFAOYSA-N 444.440 4.490 5 20 IIBD O=C(c1cccc(C(F)(F)F)c1)N1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 761507793 XHAFFHKDVKDTFJ-UHFFFAOYSA-N 427.810 4.225 5 20 IIBD C[C@@H]1[C@@H](C(F)(F)F)OC(=O)N1c1ncccc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 764311674 RAVYIYJVGXDOQJ-OQPBUACISA-N 444.753 4.172 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 765469308 LLGDPCYOIHHLRU-UHFFFAOYSA-N 427.810 4.225 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC(OCc2ccc(F)cc2)CC1 768575393 DMCRBXZOSZUZLE-UHFFFAOYSA-N 442.896 4.066 5 20 IIBD O=C(NC[C@H](O)c1c(Cl)cccc1Cl)c1cc(Br)cc([N+](=O)[O-])c1 771022822 OTEGBGQYKJXCRY-ZDUSSCGKSA-N 434.073 4.128 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 775540879 ZDTACEAAVUOLHN-OAHLLOKOSA-N 437.562 4.472 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(C)C[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1C 775761871 XHJBZRRCLQCTRK-QZTJIDSGSA-N 440.456 4.359 5 20 IIBD O=C(O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])[C@H]1CC(c2c(F)cccc2F)=NO1 776220754 MORLWJLQIQUZDX-TZIWHRDSSA-N 439.374 4.094 5 20 IIBD Nn1c(SCc2nc3ccc([N+](=O)[O-])cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl 776432377 AGSFUHXJYDYFOS-UHFFFAOYSA-N 436.284 4.043 5 20 IIBD CSc1cccc(C(=O)O[C@H](C(=O)N2CCc3ccccc3C2)C(C)C)c1[N+](=O)[O-] 777073994 FQANJQFPGLBYLB-FQEVSTJZSA-N 428.510 4.083 5 20 IIBD CC(C)n1c(S)nnc1[C@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 780663046 YDBOIAROPKIWIO-INIZCTEOSA-N 447.564 4.162 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@@H](C)[C@@H]2CCCN(C3CCC3)C2)CC1 781212575 YBFDWQZZGVNZIK-RBUKOAKNSA-N 428.577 4.214 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCc1cc(Br)ccc1F 781679458 FTMUXNSJGHRHQE-UHFFFAOYSA-N 427.182 4.081 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)cc1[N+](=O)[O-] 783558275 YRYYOVDLKQWBGT-UHFFFAOYSA-N 435.318 4.268 5 20 IIBD Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c(C)c1 786783811 XCKCYUNGTXARSA-MRXNPFEDSA-N 437.452 4.017 5 20 IIBD C[C@@](O)(CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1cccc(Cl)c1 787528186 PMYXYHBWITVMOL-HSZRJFAPSA-N 440.883 4.465 5 20 IIBD C[C@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 790547527 WEKLFIXKXVTQQC-QWHCGFSZSA-N 443.903 4.082 5 20 IIBD COCC1(C(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)CCN(C(=O)OC(C)(C)C)CC1 796689097 DJUQZJDUEIAFCC-UHFFFAOYSA-N 441.912 4.159 5 20 IIBD CC(C)(CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)Oc1cc(F)cc(F)c1 804141105 IDUUXXXVZLUHLZ-UHFFFAOYSA-N 447.207 4.362 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(SC(=O)N(C)C)c2)cc1[N+](=O)[O-] 808116925 LBZGBVLQMBSEKA-UHFFFAOYSA-N 429.907 4.131 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CNC2CCC(N3CCCCC3)CC2)c1 810148523 SQZLYWSTSTZAOX-UHFFFAOYSA-N 443.329 4.086 5 20 IIBD Cn1ncc(COC(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)n1 811063476 JUBDBLJIFHWAIX-GDNBJRDFSA-N 435.465 4.007 5 20 IIBD C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccc(N2CCCOC2=O)cc1 814352004 PDSJLYSIYBGIDS-GFCCVEGCSA-N 448.273 4.195 5 20 IIBD Cc1cc(C)n(Cc2cccc(-c3noc(-c4ccc([N+](=O)[O-])c(-n5ccnc5)c4)n3)c2)n1 904524892 FPYQYSMPORTLLZ-UHFFFAOYSA-N 441.451 4.359 5 20 IIBD COCCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H](C)c1cccc(C(F)(F)F)c1 914516075 LIOBHVLGCJGZNN-LBPRGKRZSA-N 441.362 4.372 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(F)c(C(=O)O)c2)cc1 915150040 FWBIZJQXLYKGTB-UHFFFAOYSA-N 426.356 4.485 5 20 IIBD COc1ccc(NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1NC(=O)OC(C)(C)C 915214849 RLBQMBWNGXFCKA-UHFFFAOYSA-N 430.461 4.309 5 20 IIBD Cc1c(C(=O)NCc2cccnc2Oc2cccc(F)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 915294387 DKIGWWAXLFTPFI-UHFFFAOYSA-N 426.360 4.068 5 20 IIBD CCn1c(SCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])nnc1-c1ccc(F)cc1 916664009 PWLCRHOPLSNPPK-UHFFFAOYSA-N 435.868 4.397 5 20 IIBD Cc1ccc(/C(O)=C(/C(=S)N[C@H](C)c2ccccc2)[n+]2cccc(O)c2)cc1[N+](=O)[O-] 917611399 CCQQGZOTYHUVJQ-MRXNPFEDSA-O 436.513 4.458 5 20 IIBD COc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c([N+](=O)[O-])cc1OCc1cscn1 919880290 AVPCWZKFJIXTAC-UHFFFAOYSA-N 444.425 4.108 5 20 IIBD C[C@H](OC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc(Cl)ccc1F 920778017 GNCGKQDXQWUQKC-UWVGGRQHSA-N 445.230 4.378 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(Cc2csc(NC(=O)c3ccoc3C)n2)n1 1320497863 PWGBDVBXSIUGDT-UHFFFAOYSA-N 439.453 4.463 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 1324765279 WPTIBURWHXNHDS-UHFFFAOYSA-N 430.892 4.163 5 20 IIBD COc1ccc(CSCc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)cc1[N+](=O)[O-] 1328122196 QYAQYGQRSPEHBJ-UHFFFAOYSA-N 447.469 4.113 5 20 IIBD O=[N+]([O-])c1ccccc1OCc1nnc(CCCOc2cccc(Br)c2)o1 1328232750 QUBDFQIAUVCTTB-UHFFFAOYSA-N 434.246 4.331 5 20 IIBD Nc1c(C(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)cc(Br)cc1[N+](=O)[O-] 1344694273 YBXVJKPKRFXCPB-UHFFFAOYSA-N 441.232 4.070 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3cnccc3Cl)cc2)CCC1)c1ccc([N+](=O)[O-])o1 1789678618 UZQKSOSHPPDMBG-UHFFFAOYSA-N 440.843 4.298 5 20 IIBD O=C(Cc1ccncc1)NC1(c2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2)CCC1 1790697917 ZCIFEBWBARNNOE-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)[nH]n1)C1CCCCC1 1816708687 HJUIIGRNZFWIJV-IBGZPJMESA-N 443.479 4.343 5 20 IIBD Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)C(C)(C)C)CC2)cc1[N+](=O)[O-] 1830363413 ZOMRLFYCKFWSEX-FQEVSTJZSA-N 429.561 4.112 5 20 IIBD Cc1c(C(=O)OCC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)cccc1[N+](=O)[O-] 22910987 BRSMYZGXVFVLSX-QHCPKHFHSA-N 436.439 4.447 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(CN2CCSCC2)c1 61285680 PXJYUCZWOXWPIX-AWEZNQCLSA-N 435.933 4.203 5 20 IIBD CCCC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)Nc1cccc(N2CCCC2)c1 72067390 OUMSZMLTILZUSM-NRFANRHFSA-N 438.528 4.431 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)c([N+](=O)[O-])c1 97575966 OZYKLHSNHPTEOY-UHFFFAOYSA-N 429.498 4.061 5 20 IIBD CC(C)N1CC[C@@H](CNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 109825176 FTOJZMAXXXHZFM-INIZCTEOSA-N 430.936 4.320 5 20 IIBD Cc1nc2ncnn2c(Oc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)c1C 301523563 FFHPKYJUXOKMCJ-UHFFFAOYSA-N 429.392 4.215 5 20 IIBD Cc1cc(N2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 301810353 ZDNHXUNBDSPXNV-DOTOQJQBSA-N 427.505 4.242 5 20 IIBD Cc1cc(NCc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c2cccc([N+](=O)[O-])c2n1 302016287 LTRRRZYVRBKTGY-IRXDYDNUSA-N 434.496 4.313 5 20 IIBD C[C@@H](NC(=O)N(Cc1ccc(Cl)cc1)Cc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 430424580 IPJAQWSHKCFXGT-OAHLLOKOSA-N 427.892 4.455 5 20 IIBD CC(C)(NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccc([N+](=O)[O-])cc1 430578463 PIKNCZYEOXNPFW-INIZCTEOSA-N 429.904 4.152 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCN1Cc1ccccc1 430654256 PZRTYFLMMHCNQA-PBHICJAKSA-N 432.318 4.140 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCC(N[C@@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)CC2)cc1 433136136 KTJYIYCJSTVPSP-JOCHJYFZSA-N 443.569 4.069 5 20 IIBD COCCOc1ccc([C@@H](C)NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1OC 436066578 LITWDKPTJDJNKY-MRXNPFEDSA-N 446.503 4.206 5 20 IIBD COc1ccc([C@H](C)NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc1OC 436067603 NGGNJENTQKCYSK-LBPRGKRZSA-N 438.430 4.468 5 20 IIBD Cc1ccccc1-c1cc(NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n(C)n1 436688820 CJCGCXCMKDGDQF-UHFFFAOYSA-N 435.484 4.178 5 20 IIBD O=C(Nc1ccc(CCC(F)(F)F)cc1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 437070405 WREZMXLBOYUKIW-UHFFFAOYSA-N 435.402 4.219 5 20 IIBD O=C([C@H]1CCCN(c2ncnc3sccc23)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437461629 LKVFZZJSBSRBBU-INIZCTEOSA-N 437.525 4.007 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1ccc(F)cc1F)C1CCCC1 439856064 MBEXTYVMFWOGDU-UHFFFAOYSA-N 447.438 4.182 5 20 IIBD Cc1c(Cl)cccc1NC(=O)Cc1noc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 445352610 QXKLIQRHLJQLBC-UHFFFAOYSA-N 441.875 4.388 5 20 IIBD Cn1cnnc1Sc1ccc(-c2nc(Cc3nccc4ccccc34)no2)cc1[N+](=O)[O-] 445503347 NIFGRRDSNGLUCG-UHFFFAOYSA-N 445.464 4.064 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(Cc3coc(-c4ccc(Cl)cc4)n3)n2)c1 445573223 VEKLXJYNLOFIPA-UHFFFAOYSA-N 426.816 4.476 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)NCc2csc(-c3ccccc3)n2)c(C(F)(F)F)c1 446950006 KOTMXLNSORIUAK-UHFFFAOYSA-N 443.428 4.216 5 20 IIBD O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCC(Sc2ccc(Cl)cc2)CC1 448173575 LMDQYSHLOQZBEU-UHFFFAOYSA-N 443.916 4.226 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H](c1ccccc1)[C@@H]1CCCO1 462165804 RDXLYELKTABMAJ-HOTGVXAUSA-N 431.297 4.100 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC1(c2c(F)cccc2F)CCCC1 464033310 SYDZLFSOKFIUKX-UHFFFAOYSA-N 431.439 4.057 5 20 IIBD CCN(Cc1cccc(-c2ccncc2)c1)C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C 464049658 VYICVSZKTZXTMP-UHFFFAOYSA-N 432.480 4.261 5 20 IIBD COc1ccc([C@@H](NC(=O)CCn2cc([N+](=O)[O-])nc2C)c2ccccc2Cl)c(C)c1 464626732 FLHHXXSEEMALRR-JOCHJYFZSA-N 442.903 4.366 5 20 IIBD COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464771271 CPPLEJZAOJNPJA-CQSZACIVSA-N 433.892 4.127 5 20 IIBD Cc1sc(S(=O)(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc1[N+](=O)[O-] 467418071 IIBUTBJHYFFEIW-CQSZACIVSA-N 437.326 4.034 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccccc1Oc1cc(F)cc(F)c1)c1cccc([N+](=O)[O-])c1 469580168 GXXPBAQQHOSZEL-ZDUSSCGKSA-N 441.390 4.481 5 20 IIBD C[C@H](NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 470437117 GLJVPRPOVGXUDI-ZDUSSCGKSA-N 441.347 4.260 5 20 IIBD COCCC[C@H](Cc1ccccc1)NC(=O)c1sc(Br)cc1[N+](=O)[O-] 471331509 NWDUOUIOGBSOHS-CYBMUJFWSA-N 427.320 4.187 5 20 IIBD COC(=O)c1ccc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1F 474544898 XUWIDZBCSYTDTN-CYBMUJFWSA-N 438.415 4.341 5 20 IIBD O=C(CCc1nc(C2CCCC2)no1)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 475426880 CXABZNQKZJIJCD-UHFFFAOYSA-N 434.452 4.438 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)[C@H]1CCN(c2ccccc2)[C@H]1C)c1ccccc1[N+](=O)[O-] 475487251 NKHQGGWPOJOIEK-CUWPLCDZSA-N 439.512 4.009 5 20 IIBD CC(C)[C@@H]1CCc2ccccc2N1C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 476382982 UKBFKRVRVVQGBT-KRWDZBQOSA-N 437.525 4.492 5 20 IIBD Cc1ccc(C(C)(C)CC(=O)N2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)cc1 478085682 ODRKWMDZLZKMTL-UHFFFAOYSA-N 435.528 4.186 5 20 IIBD CC(C)n1c([C@@H]2CCCN2C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)nc2ccccc21 478310721 SBODCUFEEMSXRE-NRFANRHFSA-N 445.483 4.083 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)N(C)c2ccc(Br)cc2Cl)c1[N+](=O)[O-] 480191002 BOKICBTYRWHJLQ-UHFFFAOYSA-N 433.711 4.453 5 20 IIBD COc1cc(I)c(Cl)cc1CNCc1csc([N+](=O)[O-])c1 481736984 JJUDCXNRWMBUPK-UHFFFAOYSA-N 438.674 4.213 5 20 IIBD CC[C@H](C)n1ncc(NC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])c1C 482806957 ZSRCCWMSTXIOFS-LBPRGKRZSA-N 445.501 4.367 5 20 IIBD O=C(NC[C@H]1CCN(CCc2ccccc2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 487046309 WNMHXLSESACZIO-GOSISDBHSA-N 436.537 4.013 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)NC(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1F 487952078 ICMSXAHHVQUYBW-GFCCVEGCSA-N 447.854 4.349 5 20 IIBD O=C(CNc1cc(Cl)ccc1OC[C@H]1CCCCO1)N1CCc2ccc([N+](=O)[O-])cc21 488196003 RIIPXKZMIBMUPN-GOSISDBHSA-N 445.903 4.197 5 20 IIBD CC[C@@H](c1ccccc1)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)o1 488809981 ANTARGMBMLOPPD-HNNXBMFYSA-N 428.470 4.259 5 20 IIBD COc1cc(CN[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])cc1OCC(F)F 493959131 ADGHLGSHUYPCOI-QRWLVFNGSA-N 444.381 4.145 5 20 IIBD COCCN(Cc1cc(Br)cs1)C(=O)Nc1ccc([N+](=O)[O-])cc1C 494578483 HJFRDGQSEDIRHH-UHFFFAOYSA-N 428.308 4.408 5 20 IIBD COCCN(C(=O)CO[C@@H]1CCCC[C@@H]1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 497549745 DRWJJGWCSMDNCM-HNAYVOBHSA-N 433.530 4.293 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 497881274 ONSBDIQZFIMCIE-UHFFFAOYSA-N 445.522 4.255 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 499536184 ASAMLGQHYBJAMB-NRFANRHFSA-N 434.427 4.020 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCNC(C)(C)COc1ncccc1C(F)(F)F 502248380 FLBGJZOKVXIGNR-UHFFFAOYSA-N 440.422 4.093 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cc(F)ccc2Sc2nccn2C)cc([N+](=O)[O-])c1 502446992 VKIHVHRFLLOBBW-UHFFFAOYSA-N 444.444 4.048 5 20 IIBD COc1cc(CCNC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)c([N+](=O)[O-])cc1OC 503823512 CDVZJGCMOPDGFG-NRFANRHFSA-N 449.507 4.438 5 20 IIBD O=C(NCCN1C(=O)Cc2ccccc21)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 506375512 QEERXKVISNSQNQ-UHFFFAOYSA-N 433.489 4.065 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 511547608 PTCKMHRLMYSGII-UHFFFAOYSA-N 443.456 4.231 5 20 IIBD CCCN(C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)[C@@H](C)c1cc2ccccc2o1 513229767 FKESFKCNGQJLKS-AWEZNQCLSA-N 430.482 4.358 5 20 IIBD Cc1ccccc1CN(Cc1ccccc1)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 513563126 PMUZRWAJLQGLCR-UHFFFAOYSA-N 438.505 4.149 5 20 IIBD O=C(N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1(c2cccc(Cl)c2)CCCCC1 515787221 INWOZAZHHKPGKQ-UHFFFAOYSA-N 428.920 4.194 5 20 IIBD O=C(NCCc1ccc(OCc2ccccc2)cc1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 517643860 SCQQWBZUKMGMTK-UHFFFAOYSA-N 443.459 4.400 5 20 IIBD Cc1sc2nc(CS[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3F)nc(O)c2c1C 519876459 IUCACKQSVILNHC-SNVBAGLBSA-N 436.490 4.321 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 520554349 IINXVAVKDSMVFT-MRXNPFEDSA-N 447.495 4.213 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 522602166 WTZOTDZDCDVQQL-UHFFFAOYSA-N 439.493 4.032 5 20 IIBD Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 522817678 OSCVSILOXDTFOH-ZDUSSCGKSA-N 434.456 4.133 5 20 IIBD CCOc1cc(Br)c(CC(=O)N2CCc3c2cccc3[N+](=O)[O-])cc1OCC 523132560 IJFSADGDRMQLLJ-UHFFFAOYSA-N 449.301 4.287 5 20 IIBD CCOc1ccc(Br)cc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 524386002 FYYSTZDHQGCASM-UHFFFAOYSA-N 431.246 4.194 5 20 IIBD O=C(c1ccccc1I)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 525620240 ITKVUAOBOYJSEZ-INIZCTEOSA-N 440.262 4.087 5 20 IIBD COc1ccc(Br)c2[nH]c(C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)cc12 532033434 NTQBRWIGJJQSDI-UHFFFAOYSA-N 430.258 4.046 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCCC[C@H]1c1nc(-c2ccccc2)no1 532559988 VVHGJDXASHBNAA-SFHVURJKSA-N 449.467 4.170 5 20 IIBD O=C(O)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 532599027 VJHAHLZMXHTYJR-KRWDZBQOSA-N 448.859 4.136 5 20 IIBD COCCN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)c1cccc(C(F)(F)F)c1 532933596 QEMUJBZJUBQMNJ-AWEZNQCLSA-N 425.407 4.262 5 20 IIBD O=[N+]([O-])c1ccc(NCc2nc3cc(Br)cnc3[nH]2)nc1-c1ccccc1 534879517 KJYZEKDECOJCPM-UHFFFAOYSA-N 425.246 4.303 5 20 IIBD O=C(N[C@@H]1C=C[C@H](CO)C1)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 534894784 VQHOBNXEJKCDDX-GXTWGEPZSA-N 438.427 4.432 5 20 IIBD O=C(Nc1cccc2c1CN(c1nccs1)C2)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 535454260 ATKIVURGBNQGEG-UHFFFAOYSA-N 432.465 4.010 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1C[C@H](O)C[C@H]1c1ccc(F)cc1 535986278 FHAKHAKDSONKBL-PBHICJAKSA-N 432.249 4.357 5 20 IIBD COc1ccc(CN2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1OCc1ccc([N+](=O)[O-])cc1 537631848 ZJQXUIXDCVPGEZ-YLJYHZDGSA-N 440.418 4.070 5 20 IIBD COc1ccc(CN2CCC(CNC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)CC2)cc1 538741451 DFPRTRXKPDOECL-UHFFFAOYSA-N 425.529 4.171 5 20 IIBD O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 539154331 XNUWUKZPWCQJCC-NQIIRXRSSA-N 447.894 4.250 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCNc1ccc(-c2ccccc2)nn1 539373481 HGJLZCOAGPJXHP-UHFFFAOYSA-N 437.525 4.394 5 20 IIBD CC(C)n1nnnc1-c1ccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1F 541188932 SNZJBBXJIQVQDE-UHFFFAOYSA-N 439.451 4.165 5 20 IIBD CCOC(=O)c1cc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)ccc1Sc1ccccc1 543137839 QWPUCIUDRKTLHB-UHFFFAOYSA-N 440.481 4.066 5 20 IIBD O=[N+]([O-])c1ccc2[nH]nc(-c3nc(Cc4cn5cc(Cl)cc(Cl)c5n4)no3)c2c1 544392764 YPCIIXJZACAMIS-UHFFFAOYSA-N 430.211 4.066 5 20 IIBD CSc1cccc([C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)c2ccc(F)c(F)c2)c1 544736434 FLRZUFCSMZDDQA-SFHVURJKSA-N 430.436 4.092 5 20 IIBD Cc1cc(Cc2noc(Cn3c4ccccc4c(=O)c4ccccc43)n2)ccc1[N+](=O)[O-] 545852420 YIWZJOFOWDXIKB-UHFFFAOYSA-N 426.432 4.393 5 20 IIBD Cc1cc(Br)cn2cc(CCNC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)nc12 546062897 CXJYLKXZQUVSLK-UHFFFAOYSA-N 443.257 4.032 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(F)c(I)c(F)c1 548426561 PCCXHVCCQMRNQM-UHFFFAOYSA-N 448.163 4.129 5 20 IIBD O=C(NC1CCCCC1)NC1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 549506854 CSRKSGBFJHLCCP-UHFFFAOYSA-N 428.455 4.210 5 20 IIBD Cc1cc2cc(NC(=O)c3ccc(N4CCC[C@@H](C)C4)c([N+](=O)[O-])c3)ccc2n(C)c1=O 553579574 MLIWLAFRUASRFW-OAHLLOKOSA-N 434.496 4.244 5 20 IIBD COc1cc(C(=O)NCC2(c3ccccc3Br)CCC2)c([N+](=O)[O-])cc1OC 553668877 YLBMVCHLOJCPPY-UHFFFAOYSA-N 449.301 4.226 5 20 IIBD CC(C)[C@@H](NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(Cl)cc1 555896281 LXSHTLHVLOMTDJ-HXUWFJFHSA-N 429.904 4.253 5 20 IIBD O=C(NCCc1c[nH]c2cccc(Br)c12)c1c[nH]c2cc([N+](=O)[O-])ccc12 558581512 AUCPLRQJZXHERL-UHFFFAOYSA-N 427.258 4.292 5 20 IIBD CCOc1cc(C(=O)NC[C@H]2CCCCN(Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC 565630957 LHZRQJNXILIJKW-LJQANCHMSA-N 441.528 4.034 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3cnn(CC(C)C)c3C3CC3)cc2)c(C)c1[N+](=O)[O-] 566699514 HGHJLFGOGWLCFB-UHFFFAOYSA-N 436.516 4.439 5 20 IIBD CC(C)(C)c1csc(CNCc2cc(I)cc([N+](=O)[O-])c2)n1 568919514 AUAJSVIZZGKFRZ-UHFFFAOYSA-N 431.299 4.243 5 20 IIBD CCOCCOc1c(Cl)cccc1NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 570978237 RMTVORDVVBAPGE-UHFFFAOYSA-N 435.864 4.090 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(C(C)(C)c3csc(-c4cc(F)ccc4F)n3)n2)n1C 571250232 ROZMQHCZXGGJNM-UHFFFAOYSA-N 446.439 4.414 5 20 IIBD COc1cc(OC)cc(C2(F)CCN(c3ncc(Br)cc3[N+](=O)[O-])CC2)c1 572858571 IXAIUSPLPKVLBA-UHFFFAOYSA-N 440.269 4.235 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)c1 576415070 VKVMQJQESUSIHX-INIZCTEOSA-N 427.505 4.179 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1CN[C@H](c1cccc([N+](=O)[O-])c1)c1nccn1C 582502621 KQVJFKJQLSXPST-HSZRJFAPSA-N 430.512 4.069 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)Cc2cc(Br)ccc2F)c1 583036919 AKKCMDGBEOJTRV-LLVKDONJSA-N 425.254 4.256 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](c2ccc(F)cc2F)C1 585762722 BAPSRUQQZYHOTP-KRWDZBQOSA-N 441.228 4.158 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)c1nc(-c2ccccc2)no1 586855201 OUBPFJMJTPQOSH-QGZVFWFLSA-N 442.497 4.000 5 20 IIBD O=C(N[C@H]1CC[C@](O)(C(F)(F)F)C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 590433815 SYCZDMUVBZKPKR-KPZWWZAWSA-N 426.416 4.322 5 20 IIBD COCCN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@H](C)c1cccc(C(F)(F)F)c1 603529811 DCYMXGOEIHHVQM-CQSZACIVSA-N 426.391 4.229 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CC=C(c3c[nH]c4cc(C)ccc34)CC2)cc([N+](=O)[O-])c1 603674529 KOHNSQRKGRSUMA-UHFFFAOYSA-N 433.464 4.491 5 20 IIBD CC[C@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1OC(F)F 603716674 GXMWWJWJDUJCJU-ZDUSSCGKSA-N 427.791 4.056 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1 603980346 LXMSTXSZCLEPRP-UHFFFAOYSA-N 443.456 4.024 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)N(Cc1cccnc1)c1ccc(Br)cc1 603990373 QONANIABRXFOIU-UHFFFAOYSA-N 442.269 4.365 5 20 IIBD CC(C)Cc1ccc(C(=O)C2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 604032739 GBJQIVCCEGTAQC-UHFFFAOYSA-N 430.526 4.077 5 20 IIBD NC(=O)c1cccc(Oc2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cn2)c1 608808065 NPVNFFPSLINDBP-UHFFFAOYSA-N 434.433 4.348 5 20 IIBD O=C(c1ccc(Cl)cc1F)N1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 608908976 HRILIMYHKCRDEL-UHFFFAOYSA-N 442.672 4.112 5 20 IIBD CC[C@@H](C)[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)C(=O)Nc1cccc(N2CCCC2)c1 609174696 UQWNLSCZHGJZOT-KUHUBIRLSA-N 430.530 4.040 5 20 IIBD CC(C)(C)[C@@H]1CCCN1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 609178839 OOEWKAWINRPZGC-IBGZPJMESA-N 431.514 4.046 5 20 IIBD CC[C@H](c1ccccc1)N(CC(C)C)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 609509643 HYNNPHGLYWVUDY-GOSISDBHSA-N 429.542 4.422 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(Oc3cccc(C)c3C)nc2)c([N+](=O)[O-])c1 609658031 GXGWVCDUOBOSAO-UHFFFAOYSA-N 429.454 4.208 5 20 IIBD Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCS[C@@H]3c3ccc([N+](=O)[O-])cc3)C2)cc1 610210518 ZGRKVEYYTPECDW-AUSIDOKSSA-N 439.537 4.030 5 20 IIBD Cc1ccc(NCCCNC(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)c([N+](=O)[O-])c1 610329318 ADAWOAPNOUSFNP-UHFFFAOYSA-N 436.472 4.418 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccn([C@H](C)c3ccccc3)n2)cc1[N+](=O)[O-] 610746191 UUKYSYYDBLIQSF-OAHLLOKOSA-N 426.498 4.281 5 20 IIBD Cc1nc(-c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Br)cc2)co1 610954063 USKZCHMQLKNULO-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD COc1ccc(-c2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2CC(C)C)cc1 612246984 UZJRWXULBPRCES-UHFFFAOYSA-N 426.498 4.493 5 20 IIBD COc1ccccc1/C(C)=C/C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 727300252 CHELXTAKNXGPOZ-NRMGUKERSA-N 426.469 4.206 5 20 IIBD C[C@H](OC(=O)c1cc(F)c(Cl)nc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 727520879 JHBCQAGWWYVTNE-LURJTMIESA-N 436.610 4.273 5 20 IIBD Nc1cc(C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)ccc1Oc1ccccc1 728638569 DHLGKPOTCWPLIT-UHFFFAOYSA-N 432.392 4.376 5 20 IIBD CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 731050578 ASXGKQDUHOMFGY-UHFFFAOYSA-N 443.809 4.046 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1csc(-c2ccc3c(c2)OCCO3)n1 731324083 DGEXFWNCFSUXDW-UHFFFAOYSA-N 445.884 4.415 5 20 IIBD CC[C@H](C)C(=O)Nc1cccc(CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])c1 731973963 QIHAPMDYCPNXSR-LBPRGKRZSA-N 441.456 4.188 5 20 IIBD O=C(COC(=O)c1ccc(-c2ccccc2)[nH]1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 732389051 NOZSLGKXBVDHEB-UHFFFAOYSA-N 433.342 4.404 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cn1 735007808 FGYHOYUKVZAUTP-UHFFFAOYSA-N 436.852 4.398 5 20 IIBD O=C(CCOc1ccc2ccccc2c1)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 735340364 DORYINSALPMWFU-UHFFFAOYSA-N 436.420 4.058 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1I)N1CCc2c(Cl)cccc2C1 739590575 PGHXFWURKPSSQV-UHFFFAOYSA-N 442.640 4.051 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC[C@@H]1CCCO[C@H]1c1ccc(C)cc1 742430179 IGENJNGMFILWJX-YWZLYKJASA-N 429.429 4.178 5 20 IIBD Cc1sc2nc([C@H](C)OC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)nc(O)c2c1C 743123838 SJYHWHXVEUQFOH-NSHDSACASA-N 439.453 4.026 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1ccc(-c2ccco2)nc1O 743608070 SLEAVAPHEQQZTF-UHFFFAOYSA-N 449.423 4.056 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)C1CCC(c2ccccc2)CC1 745501689 OPOUEPOQQKXHLD-ZLPCBKJTSA-N 426.469 4.448 5 20 IIBD C[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)c1ccccc1[N+](=O)[O-] 749052322 BOFQLWGKVGRXOD-QWHCGFSZSA-N 433.258 4.015 5 20 IIBD O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1cc(-c2ccccc2Cl)[nH]n1 749359953 ZKXBAWFACSGBCN-UHFFFAOYSA-N 441.875 4.107 5 20 IIBD CCc1ncsc1C(=O)O[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 750217361 OMDNGCWHXXGLCS-SFHVURJKSA-N 425.466 4.459 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)c1cccc(Cl)c1[N+](=O)[O-] 750539404 CWXLXVGRCJSGQC-SNVBAGLBSA-N 427.240 4.403 5 20 IIBD Cc1cc(SC(C)(C)C)ccc1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 751255503 PRYQYLDVIKJKFP-UHFFFAOYSA-N 427.482 4.029 5 20 IIBD COc1ccc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC1CCCC1 751961185 ADRPZBDROJKMDQ-UHFFFAOYSA-N 428.441 4.029 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1[N+](=O)[O-] 752057465 XOPUSTAIFCJSMC-CQSZACIVSA-N 437.456 4.164 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Oc2ccccc2OCC(F)(F)F)cc1[N+](=O)[O-] 752248793 XCKBLJDWIBZWLW-UHFFFAOYSA-N 425.768 4.265 5 20 IIBD COc1ccc([C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c2ccccc2OC)cc1 752377874 FHWAYOXOGQFQHZ-HSZRJFAPSA-N 440.427 4.036 5 20 IIBD CC[C@@H](CC(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1ccc(OC)cc1 752491843 MZJJBEWOFMUQBA-SFHVURJKSA-N 427.501 4.342 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c1Br 754017273 DVEBUPKAPRUEPO-ZDUSSCGKSA-N 443.342 4.144 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC[C@H]1C[C@@H](O)c1cccs1 755016213 IBLIEINZJOZLEI-SMDDNHRTSA-N 443.294 4.286 5 20 IIBD C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 755017708 DSMDYDYFBYBYBM-ZKQHCESOSA-N 433.804 4.130 5 20 IIBD CCN(CC)C(=O)c1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 755231361 PTKXTDHSAZTQIR-UHFFFAOYSA-N 434.290 4.021 5 20 IIBD C[C@H](OC(=O)c1ccc(F)cc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 758114363 PMGBNQWSEXETOQ-ZDUSSCGKSA-N 444.415 4.350 5 20 IIBD C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 759853142 OPIXACHYFZIJOE-LBPRGKRZSA-N 429.816 4.251 5 20 IIBD O=C(OCCn1cc([N+](=O)[O-])ccc1=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1 761404587 FFLVSRNWDYIEDY-FQEVSTJZSA-N 446.431 4.112 5 20 IIBD Cc1nccn1-c1ccc(-c2noc(-c3csc(-c4cccc([N+](=O)[O-])c4)n3)n2)cn1 761918820 TYLPJABBMMQDDJ-UHFFFAOYSA-N 431.437 4.324 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(-c3nc(Cc4ccc([N+](=O)[O-])cn4)no3)cc2[N+](=O)[O-])C1 762324952 LEUWHOMNIBKLRC-OKILXGFUSA-N 438.444 4.021 5 20 IIBD O=C(COC(=O)c1ccc(Br)c(Cl)c1)Nc1ccc([N+](=O)[O-])cc1Cl 764099691 HHVODCXHFPVORL-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD O=C(COC(=O)CSc1nccc2ccccc12)Nc1cc([N+](=O)[O-])ccc1Cl 767419434 FIDMIIVGNVLJNR-UHFFFAOYSA-N 431.857 4.070 5 20 IIBD O=C(CCCc1ccccc1Br)OCc1cc([N+](=O)[O-])cc2c1OCOC2 767668504 IZHDFDROIWMFMO-UHFFFAOYSA-N 436.258 4.290 5 20 IIBD Cn1ccnc1[C@H](NC[C@H](O)c1ccc(-c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 768534796 PBHIHQREQGIBQZ-BJKOFHAPSA-N 428.492 4.408 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2cncc(-c3cccc(C)c3)c2)c([N+](=O)[O-])c1 768682464 ZXWUDKZVRFQYRO-HNNXBMFYSA-N 435.436 4.158 5 20 IIBD Cc1nc(-c2cc3c(s2)CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C3)cs1 772859263 RYCGCMJCMCZITI-UHFFFAOYSA-N 433.486 4.191 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C 773820077 RNCCBZLLAXPSNS-YPMHNXCESA-N 431.411 4.131 5 20 IIBD CSc1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)OC2CCCC2)c1[N+](=O)[O-] 776873619 DKQRTEPPCOZXKA-SFHVURJKSA-N 428.510 4.144 5 20 IIBD CC(=O)Nc1ccc(C)c2c1CCCN2C(=O)c1ccc(Br)c([N+](=O)[O-])c1 779469178 BFNOPBGXRMMOMF-UHFFFAOYSA-N 432.274 4.217 5 20 IIBD COc1cc(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)c([N+](=O)[O-])cc1OCC(F)F 779760379 RHTJBHJNVXUDRJ-UHFFFAOYSA-N 434.355 4.067 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc(OC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 781811535 QKEWNYTVZKJIFB-UHFFFAOYSA-N 431.401 4.388 5 20 IIBD CCOc1cccc2[nH]cc(CC(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c12 782461253 LJYJNPPJFYDVRS-GFCCVEGCSA-N 445.859 4.241 5 20 IIBD Cc1cccc(O[C@@H]2CCCC[C@@H]2NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 783337940 KHTZILZHHDCZSB-PKOBYXMFSA-N 431.876 4.002 5 20 IIBD CC[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H](O)c1c(F)cccc1F 787341030 KIHDRVPRCJOGKH-NVXWUHKLSA-N 447.360 4.203 5 20 IIBD Cc1c(Br)cc(C(=O)O[C@@H]([C@H]2CCCOC2)C(F)(F)F)cc1[N+](=O)[O-] 789661867 YNSPRTSJLDFKTB-ZANVPECISA-N 426.185 4.180 5 20 IIBD C[C@@H](c1nc(Cc2ccccc2)no1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 792899252 QNBFUNMRFBOUPZ-ZDUSSCGKSA-N 443.301 4.450 5 20 IIBD CCOC(=O)c1csc([C@@H]2CCCN2c2ccc([N+](=O)[O-])cc2Br)n1 795173456 OUKBZVLQVKPNHF-AWEZNQCLSA-N 426.292 4.332 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 795710913 IRVXQFPKRAJXLU-UHFFFAOYSA-N 441.267 4.116 5 20 IIBD CSc1ccccc1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1I 800081681 BASNTODDODROGL-SNVBAGLBSA-N 442.278 4.412 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1c1ccccc1 800485225 NJSNWSLJWJPKRV-PKOBYXMFSA-N 438.484 4.229 5 20 IIBD COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OC(=O)OC[C@H]1CCCO1 804938332 VOZQKWKFWFCZDG-APWZRJJASA-N 440.452 4.280 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)C(C)(C)N2CCCC2)c2ccccc2)c([N+](=O)[O-])c1 805611620 BNZYQBBSPUGGNA-HXUWFJFHSA-N 425.485 4.001 5 20 IIBD CC(=O)c1oc2cc(C)ccc2c1CC(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 805665158 CADYGEPQAOFBJG-UHFFFAOYSA-N 435.392 4.188 5 20 IIBD CN(CC(=O)N(C)c1cccc2cccnc12)c1cc(Br)ccc1[N+](=O)[O-] 808796705 BFINPLLIOCLMEO-UHFFFAOYSA-N 429.274 4.005 5 20 IIBD Cc1cc(=O)oc2cc(OS(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)ccc12 809805095 OXVAJQNVRIZPHD-UHFFFAOYSA-N 430.221 4.084 5 20 IIBD CN(C(=O)c1ccncc1)c1ccc(CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)cc1 809915498 PERVVXJGBHLXMQ-UHFFFAOYSA-N 439.859 4.242 5 20 IIBD COc1ccc(Cc2nnc(SCc3cc(Cl)cc(Cl)c3[N+](=O)[O-])n2N)cc1 809948206 YGBCFWBCIXVQPT-UHFFFAOYSA-N 440.312 4.099 5 20 IIBD CC[C@@H](C)c1ccc(N2C(=S)N[C@@H](c3ccc([N+](=O)[O-])o3)C(C(=O)N(C)C)=C2C)cc1 812734622 OUHAEGFQPOAWQW-XCLFUZPHSA-N 442.541 4.499 5 20 IIBD CCOc1ccc([C@@H](O)C2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 812865539 GCJQDYJPISTMFQ-JOCHJYFZSA-N 447.919 4.031 5 20 IIBD C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 812874245 YSPQARSCFLGGJN-SNVBAGLBSA-N 431.297 4.138 5 20 IIBD O=C(Nc1ccccc1F)[C@@H]1CSCN1C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 812989910 UEJYSXVUAVJUPB-AWEZNQCLSA-N 444.271 4.195 5 20 IIBD CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](COC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 813157270 TZICELCPRKSUFN-LBPRGKRZSA-N 439.415 4.125 5 20 IIBD COC(=O)c1c(F)ccc(Cl)c1NC(=O)c1cccc([N+](=O)[O-])c1Br 821664171 GSDVQPJFBJKQIS-UHFFFAOYSA-N 431.601 4.189 5 20 IIBD Cc1ccc(-c2noc([C@@H]3CCCCN3S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1F 904332355 DUJNXIBPISOXKJ-SFHVURJKSA-N 446.460 4.008 5 20 IIBD COC(=O)C1=C(C)N(c2ccc(C)c(F)c2)C(=O)N[C@@H]1c1cc([N+](=O)[O-])c(F)cc1F 916725410 FZVUJQJZJSCZOD-GOSISDBHSA-N 435.358 4.038 5 20 IIBD Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 917177897 VIQZGCLMXDUXCV-UHFFFAOYSA-N 448.435 4.377 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)C(=O)NCc1ccc(F)cc1 917257951 YGBBZBDLXWFDEY-OAHLLOKOSA-N 438.411 4.388 5 20 IIBD COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 917919864 ZWCDXHHKCIXGMB-SECBINFHSA-N 449.710 4.059 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c2c(C(C)C)noc2n1 920895116 DCVCNIBAWIUAIC-NSHDSACASA-N 446.847 4.400 5 20 IIBD CCN(C(=O)c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1)[C@@H](C)C(C)C 921295176 SAJXUKFXOUTCFD-INIZCTEOSA-N 434.514 4.178 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N2CCC(Nc3ccccc3Cl)CC2)c([N+](=O)[O-])c1 1116348799 QKLBLTKRJPDDBK-CQSZACIVSA-N 432.908 4.160 5 20 IIBD COc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c1Br 1320337549 FLPBOZJQXHGEIJ-UHFFFAOYSA-N 430.052 4.381 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NC2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)c1[N+](=O)[O-] 1324329320 AVMAZRRSCITUAV-IHWFROFDSA-N 440.500 4.301 5 20 IIBD O=C(c1ccc(Cl)cc1)N1CSC[C@H]1c1nnc(COc2ccccc2[N+](=O)[O-])o1 1326152353 VBGAKSSRWUHSMN-HNNXBMFYSA-N 446.872 4.098 5 20 IIBD CCOc1cc(N2CCC(OC(=O)C(C)(C)Oc3ccccc3)CC2)ccc1[N+](=O)[O-] 1343308761 JFWIWQDULQRIPP-UHFFFAOYSA-N 428.485 4.363 5 20 IIBD Cc1ccc(OCc2nnc([C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)o2)cc1C 1345658566 UGILFKSIJPSVBE-FQEVSTJZSA-N 436.468 4.459 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC2(CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])CC2)C1 1805787463 BHYRIZOXIBOAQF-YXBWYFRISA-N 427.545 4.275 5 20 IIBD CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)CC2)CCCC1 1823844358 RPIRWYPQAZEWFU-FHVRUZERSA-N 443.544 4.401 5 20 IIBD O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 10965246 HNTXMHYOKDKJAE-UHFFFAOYSA-N 438.436 4.399 5 20 IIBD C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)OCc2ccccc2[N+](=O)[O-])cc1 12666516 MDRODPSYKORXIW-IRXDYDNUSA-N 426.469 4.120 5 20 IIBD COC(=O)c1ccc(OCc2csc(-c3cccc(OC)c3OC)n2)c([N+](=O)[O-])c1 16131573 WRZWEQMUYKAYOL-UHFFFAOYSA-N 430.438 4.101 5 20 IIBD CCOc1ccc(NC(=O)CN2CCC[C@H]2c2nc3ccccc3s2)c([N+](=O)[O-])c1 16588890 LUSZMAZEESLDJK-KRWDZBQOSA-N 426.498 4.379 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 20899768 AYLBMFPRGCGZPN-VIFPVBQESA-N 449.307 4.389 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)[C@H](C)Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 21815437 ZCJYEWAMAYDMBB-LBPRGKRZSA-N 438.889 4.309 5 20 IIBD CCOc1ccccc1-c1nnc(SCCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)o1 26408634 PHVKSJPNNURZHD-UHFFFAOYSA-N 444.469 4.173 5 20 IIBD COc1ccc([C@H](C)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1Br 46743585 QRFPCBIJPADTAQ-ZDUSSCGKSA-N 448.317 4.457 5 20 IIBD CCc1noc([C@@H](C)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)n1 59386017 RAEHRLTVWKIKMO-OAHLLOKOSA-N 427.530 4.148 5 20 IIBD O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)Nc1ccccc1Cc1ccccc1 60826400 QZTMKMTXHVCHFD-UHFFFAOYSA-N 440.459 4.048 5 20 IIBD COCCn1ncc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)cc21 61198164 OCQCXEBQQGHCCZ-UHFFFAOYSA-N 445.479 4.455 5 20 IIBD O=C([C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)N1CCc2ccc([N+](=O)[O-])cc21 195535607 VRRPLMQWQWRADL-QGZVFWFLSA-N 434.279 4.096 5 20 IIBD CN1CCO[C@@H]([C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)c2ccc(Cl)cc2)C1 301971907 GVEOLMMLNBLZCN-QZTJIDSGSA-N 427.835 4.333 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 303002343 KYWNNDZNFSEHBT-DHLKQENFSA-N 443.503 4.391 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCO[C@@H](c4ccccc4F)C3)cc2[N+](=O)[O-])C1 303160256 HLPXSCNTZLEONT-SEPYTNNBSA-N 441.503 4.430 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CN1CCN(C(=O)c2sc3ccccc3c2C)CC1 303850201 KLLIOMVEATUFQI-UHFFFAOYSA-N 425.510 4.085 5 20 IIBD C[C@H](c1ccc(Br)cc1)[S@@](=O)CCC(=O)Nc1ccccc1[N+](=O)[O-] 427186396 RQKOYPFCQCCOHJ-YDBLSZJJSA-N 425.304 4.196 5 20 IIBD C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1noc(Cc2ccccc2)n1 430534590 AONGEUKYTQUNPS-KRWDZBQOSA-N 438.487 4.006 5 20 IIBD COc1ccc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])cc1NC(N)=O 442799340 KNCZVARMQVSVMG-UHFFFAOYSA-N 438.465 4.498 5 20 IIBD C[C@@H]1CCN(C(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)[C@@H]1CO 443397687 ZMDLFAODPMDNTP-WMNHSHDPSA-N 437.521 4.365 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NC[C@H]2CCCn3cc(C)nc32)c([N+](=O)[O-])c1 443889648 RBPWJJMTULTYAG-QGZVFWFLSA-N 448.479 4.107 5 20 IIBD O=C(NCC(=O)N1C[C@H](c2ccccc2)c2ccccc21)c1c(Cl)cccc1[N+](=O)[O-] 444407789 PQRFWUNCIRSWAO-QGZVFWFLSA-N 435.867 4.157 5 20 IIBD O=C(Nc1ccc(OCC(F)(F)F)nc1)c1sc(Br)cc1[N+](=O)[O-] 444844870 DCHRATOYCMAIGT-UHFFFAOYSA-N 426.170 4.007 5 20 IIBD COCCN(C)CC[C@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)c1ccccc1 446094987 KXGKQAZDSOGWLG-QHCPKHFHSA-N 443.547 4.121 5 20 IIBD Cc1ccc(-c2nc(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)co2)cc1 447022207 XLBBESUGERLXIP-UHFFFAOYSA-N 441.387 4.056 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1Sc1nnc(Cc2ccc(OC)cc2)o1 447811569 GPMMDLLSKJQQNK-UHFFFAOYSA-N 435.845 4.168 5 20 IIBD O=C(Nc1ccc(CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)cc1)c1ccco1 462479239 LJCPAWKNANKMNO-UHFFFAOYSA-N 444.447 5.026 5 20 IIBD CCN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 462545264 CAHAFUSQDUTIKX-UHFFFAOYSA-N 435.285 4.134 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 462614544 LJVPBDJFZAVJPJ-ZPMCFJSWSA-N 445.947 4.005 5 20 IIBD COc1cc(CN2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OCC(F)F 463198639 ARNDZLOUMGLLBU-LZLYRXPVSA-N 428.476 4.153 5 20 IIBD COc1cc([C@@H](C)NC(=O)CN(C)c2ccccc2[N+](=O)[O-])ccc1OCc1ccccc1 463286956 WOAYOLBFZIWVTN-GOSISDBHSA-N 449.507 4.496 5 20 IIBD Cc1ccc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2C)c2cccc(S(C)(=O)=O)c2)cc1 464384219 DLPDAOJODMDTRT-JOCHJYFZSA-N 438.505 4.135 5 20 IIBD O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464637207 IODBHJHHBVACFS-IBGZPJMESA-N 441.503 4.016 5 20 IIBD COc1cc(C(=O)N2C[C@H]3[C@H]4CC[C@@H](O4)[C@H]3C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 465311683 BDQMDFYFJQYNQT-CYGHRXIMSA-N 444.871 4.299 5 20 IIBD COc1cccc(OC)c1OC1CCN(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 467220600 WOKYKFDKKOJUAO-UHFFFAOYSA-N 449.891 4.018 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccc(OC2CCCCC2)cc1 467867252 LDLZEBUAYPEYDC-UHFFFAOYSA-N 431.876 4.215 5 20 IIBD COC(=O)[C@@H](CC(F)F)NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 468004479 LUTUBUNZPZUSPC-CYBMUJFWSA-N 444.843 4.326 5 20 IIBD CCOc1ccc(-c2nc(C(=O)N3CC(Oc4ccc([N+](=O)[O-])cc4)C3)cs2)cc1 470300262 YQOYPBXZNCGSDA-UHFFFAOYSA-N 425.466 4.020 5 20 IIBD CCc1ccc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)N2CCCCC2)cc1[N+](=O)[O-] 471352769 ZPPSEBKXBYFNHW-UHFFFAOYSA-N 441.484 4.053 5 20 IIBD COC(=O)C[C@H](NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1ccc2ccccc2c1 474828101 CKOZIXPEHIWGHO-NRFANRHFSA-N 445.431 4.036 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1nc(-c2ccccc2Cl)cs1 476532653 CECYBLJSXGXDJF-ZDUSSCGKSA-N 434.909 4.243 5 20 IIBD COC(=O)c1cnc(Nc2ccc(OC)c(NC(=O)C3CCCCC3)c2)c([N+](=O)[O-])c1 477730142 IWURSMZQASOUSU-UHFFFAOYSA-N 428.445 4.047 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cccn3C(C)C)cc2)cc1[N+](=O)[O-] 481198135 LRBLSIIJUYNARC-UHFFFAOYSA-N 442.497 4.339 5 20 IIBD COC(=O)c1ccc([C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C(F)(F)F)cc1 482429977 YGPBBWUIURWWEP-HNNXBMFYSA-N 445.781 4.138 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1=O 483108386 YLVIJUGQODIXIA-FQEVSTJZSA-N 441.553 4.326 5 20 IIBD COc1ccc(CSCC(=O)N(C)c2cccc(OC(F)(F)F)c2)cc1[N+](=O)[O-] 483969201 FJPOCOAOCQVFIA-UHFFFAOYSA-N 430.404 4.398 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CCN(C)CC2)c1 484131044 MTNLKDBEODKBNG-UHFFFAOYSA-N 442.585 4.343 5 20 IIBD Cc1c(CNC(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3)c2)cccc1[N+](=O)[O-] 484349685 JTYDQEHQIONRLV-UHFFFAOYSA-N 440.481 4.026 5 20 IIBD CCSc1cccc(F)c1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 484924690 GNVRXHNYLLZMKZ-UHFFFAOYSA-N 433.490 4.378 5 20 IIBD CCCN(Cc1ccccc1Br)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C 485573218 DPYDSGAVJFPHSE-UHFFFAOYSA-N 434.290 4.043 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(Cl)c(Br)c2)c(C)c([N+](=O)[O-])c1 485969513 ZAQLVXZASWMTDT-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD CCN(C(=O)c1sc(Br)cc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 486118529 SQFDYBPIPOQDAD-AWEZNQCLSA-N 438.347 4.155 5 20 IIBD COC(=O)[C@H](C)[C@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccccc1 486191311 JMECUGUQJZGFIH-HXOBKFHXSA-N 448.475 4.454 5 20 IIBD CS(=O)(=O)c1ccc(N[C@H]2CSc3ccc(Br)cc32)c([N+](=O)[O-])c1 486467593 JKBNMAKGAIGLQD-ZDUSSCGKSA-N 429.317 4.020 5 20 IIBD Cc1ccc(CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c(OC[C@@H]2CCCO2)c1 489572748 HVCINGWUVGNGPE-SFHVURJKSA-N 427.501 4.196 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1noc(-c2ccc(Cl)cc2)n1 489597162 QMRPFAIHVQOZHC-SECBINFHSA-N 438.774 4.391 5 20 IIBD CC1CCN(c2ccc(C(=O)NCc3ccccc3CN3CCCC3)cc2[N+](=O)[O-])CC1 491755604 DTMCWWIWJDNHSW-UHFFFAOYSA-N 436.556 4.357 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1cccc(Cl)c1OCC(F)F 497528375 CDJFOHUVEHBRBE-UHFFFAOYSA-N 425.779 4.090 5 20 IIBD O=C(N[C@@H](C(=O)Nc1ccccc1)c1ccccc1)c1cc([N+](=O)[O-])ccc1OC(F)F 497800391 QXDNUFFLOGWUIT-LJQANCHMSA-N 441.390 4.306 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCc2cc(Cl)ccc21 500195532 ASTIWEMCKXFMFF-UHFFFAOYSA-N 434.901 4.496 5 20 IIBD C[C@@H]1CCCCN1C[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 505919599 STJVTUTZOYAOOQ-SJORKVTESA-N 428.558 4.445 5 20 IIBD C[C@@H](Cn1ccnc1)NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 511981818 FTAVECFMWWKBRD-ZDUSSCGKSA-N 439.522 4.371 5 20 IIBD CC(C)[C@@H](NC(=O)CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C)c1ccc2c(c1)OCCO2 513401628 OUFDVFHSJVCTJY-XMMPIXPASA-N 441.528 4.090 5 20 IIBD O=C(Nc1cc2ccc(Br)cn2n1)c1cccc2c(=O)c3ccccc3[nH]c12 513743566 YQVSUCVPCZZMCB-UHFFFAOYSA-N 433.265 4.344 5 20 IIBD O=C(COc1ccc(-c2ccccc2)cc1[N+](=O)[O-])N1CCO[C@H](c2ccc(F)cc2)C1 516787613 BHZZRGXVEHDDPJ-QHCPKHFHSA-N 436.439 4.380 5 20 IIBD Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCOc2ccc([N+](=O)[O-])cc2)o1 518829092 ZIYZTFNWQVNHBT-UHFFFAOYSA-N 432.436 4.158 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCCN(C)c4cc(F)ccc43)cc2[N+](=O)[O-])CC1 523143801 NZNJEGPPMRTLLO-UHFFFAOYSA-N 426.492 4.457 5 20 IIBD O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1Br)Nc1cc(Cl)ccc1Cl 523485768 WPSHEMGAVNQWBO-UHFFFAOYSA-N 447.072 4.033 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)Nc2cnn(CC(F)F)c2)cc1[N+](=O)[O-] 523967290 IBONMNJQGIGWTG-UHFFFAOYSA-N 446.435 4.262 5 20 IIBD COc1cc(-c2noc([C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)cc(OC)c1OC 532006767 SWKFNAFKWFKOFX-JTQLQIEISA-N 435.820 4.464 5 20 IIBD COc1ccc2c(c1)CN(C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H](c1ccccc1)C2 532105384 ZLDNEBFEJOSIDT-QFIPXVFZSA-N 432.476 4.481 5 20 IIBD CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccccc1C(F)(F)F 533221437 ALQJYFMFVRWFCP-UHFFFAOYSA-N 446.223 4.447 5 20 IIBD O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)c1c[nH]c2cccc([N+](=O)[O-])c12 534234685 SIGNFGMQNBKFRN-CYBMUJFWSA-N 443.301 4.095 5 20 IIBD COc1ccc(-c2nnc(NC(=O)CSCc3ccc(OC)c([N+](=O)[O-])c3)s2)cc1 534977759 YOMPZUZLIXLAMH-UHFFFAOYSA-N 446.510 4.002 5 20 IIBD Cc1nccn1CCCNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 535714410 CIVFDHCIAMWNON-UHFFFAOYSA-N 427.892 4.185 5 20 IIBD O=C(Nc1ccnn1Cc1cnn(-c2ccccc2)c1)c1cc2cc([N+](=O)[O-])ccc2s1 536248349 IWZHKGQIQSEPTP-UHFFFAOYSA-N 444.476 4.492 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 537244558 QRFYLRKBGHOIBU-NLFFAJNJSA-N 434.442 4.079 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(Br)cc1N1CCOCC1 537960491 XVTYAUFBALOZFF-OAHLLOKOSA-N 434.334 4.353 5 20 IIBD Cc1cc(C)cc(-n2nc(NC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)cc2C)c1 540752538 XECXHENNVLXTOR-UHFFFAOYSA-N 430.468 4.359 5 20 IIBD C[C@@H](NC(=O)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2)c1cccc([N+](=O)[O-])c1 540830645 OKAOZEXDSIFPIR-UAOJZALGSA-N 445.466 4.244 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1 542392305 PCQQBBKGRBJSQL-UHFFFAOYSA-N 428.832 4.138 5 20 IIBD C[C@@H](C(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1)c1ccc([N+](=O)[O-])cc1F 542639297 GGBJAQQSKXGDDM-GDBMZVCRSA-N 429.496 4.409 5 20 IIBD CN1C(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)cc2C1=O 543443385 JBCDQIGHYYVIER-UHFFFAOYSA-N 439.493 4.355 5 20 IIBD Cc1ccsc1[C@@H](Cc1ccccc1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 543453325 NEWGOVZSQMLUIO-HXUWFJFHSA-N 430.551 4.312 5 20 IIBD O=C1C[C@@H](c2nc(Cc3ccccc3[N+](=O)[O-])no2)CN1c1cc(Cl)cc(Cl)c1 545529478 RAQWAEMBWSLJTL-GFCCVEGCSA-N 433.251 4.396 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 546666078 ICNSIUYNNDVTHK-FQEVSTJZSA-N 433.464 4.493 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CC[C@H](c4ccc(F)cc4)C3)n2C[C@H]2CCOC2)c1 550024025 XMMNCXRBUHHTMG-APWZRJJASA-N 437.475 4.023 5 20 IIBD O=C(NC[C@@H](NCc1ccccc1)c1ccco1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 552356358 OZRKYCDFDQUFMM-GOSISDBHSA-N 433.386 4.468 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 553112844 ILTMGCCYIHQYPK-LBPRGKRZSA-N 426.256 4.131 5 20 IIBD CCc1ccc([C@H]2CCCN(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)C2)cc1 553589347 JKDXULVHSVSYAC-RBUKOAKNSA-N 441.553 4.230 5 20 IIBD COc1ccc(CN2CC[C@@H]3[C@@H](CCCN3C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 557014100 NIBMMKPEEHAPQD-RBBKRZOGSA-N 425.529 4.099 5 20 IIBD COc1cc(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])ccc1OCc1cscn1 557972305 ZEHXMXFYKIPLIB-UHFFFAOYSA-N 427.482 4.304 5 20 IIBD O=C(c1ccc(-c2ccc(F)cc2)s1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 558019524 OWYPAZNSFHCDEI-UHFFFAOYSA-N 439.468 4.061 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1ccc(OC(F)F)c(F)c1)c1ccccc1[N+](=O)[O-] 558889236 OSGZLBYNBWBMMD-HNNXBMFYSA-N 440.374 4.148 5 20 IIBD C[C@@H](C(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccco1)c1cccc([N+](=O)[O-])c1 567826039 TVZLWRYJAJMAQT-QGZVFWFLSA-N 447.491 4.413 5 20 IIBD CCOc1ccc(NC(=O)Cc2noc(C(C)(C)c3ccc([N+](=O)[O-])cc3F)n2)cc1 569506083 QLNSLHQIZFALDW-UHFFFAOYSA-N 428.420 4.023 5 20 IIBD Cc1c(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cnn1-c1ccc(Cl)cc1 573520226 QOXKFSICKZRMAS-UHFFFAOYSA-N 427.269 4.197 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CN[C@H]2CCCOc3c(F)cccc32)c1 580487220 MZGHHWNUYXGXSH-INIZCTEOSA-N 442.228 4.342 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1Cc1c(F)cc([N+](=O)[O-])cc1F 586769057 SDPLIPNJNJKUET-NRFANRHFSA-N 428.439 4.249 5 20 IIBD C[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(Oc2cccnc2)cc1 588799138 XOTDHAQSWNPZOR-INIZCTEOSA-N 429.436 4.459 5 20 IIBD COc1ccc(Cl)cc1-c1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n[nH]1 594216154 JEINONWUIOUUIY-UHFFFAOYSA-N 433.877 4.081 5 20 IIBD C[C@@H](NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 602259917 DHAHTONNWXVMCP-XJIUQZFPSA-N 449.554 4.012 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 603501314 GGXZKGNWYAJNKP-UHFFFAOYSA-N 428.448 4.222 5 20 IIBD O=C1[C@@H](c2cccs2)N(Cc2ccccc2)C(=O)N1CCOc1cccc([N+](=O)[O-])c1 603678109 YZDUNCNUHJXOPB-HXUWFJFHSA-N 437.477 4.241 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ncc(-c2ccccc2)o1 603748511 AMDRTAJCBDWIBR-UHFFFAOYSA-N 449.389 4.180 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@@H]2OCCc3ccccc32)cc1[N+](=O)[O-])c1ccccn1 609580588 FGYNCTSNNGAUHF-HJPURHCSSA-N 432.480 4.207 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 609709626 FRTJCMGQAHMAEE-UHFFFAOYSA-N 425.466 4.354 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCc1ccc(Br)cc1 609755884 WKKVIWPHJQICBB-LLVKDONJSA-N 427.682 4.137 5 20 IIBD CC(C)N(C(=O)CSCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccccc1 609770661 HFRCVNJVGBVIQP-UHFFFAOYSA-N 429.498 4.068 5 20 IIBD NC(=O)c1ccc(-c2nc(COc3ccc([N+](=O)[O-])cc3Br)cs2)cc1 609962187 ZYJDQPGMWOLEHL-UHFFFAOYSA-N 434.271 4.159 5 20 IIBD O=C(Cc1csc(-c2ccoc2)n1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 609968392 ZLBGRUQEOZVUKS-UHFFFAOYSA-N 425.388 4.445 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N1CCc2c(Cl)cccc2C1 610048209 WLQDIDSWANYPNI-UHFFFAOYSA-N 442.640 4.051 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3C[C@@H](C)CCC[C@@H]3C)cc2)cc1[N+](=O)[O-] 610200711 KNQQILOEWQMIRF-RDJZCZTQSA-N 445.541 4.355 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 610595760 JCRXLNRABVZVPG-ZIAGYGMSSA-N 427.345 4.300 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N[C@@H](CO)CC1CC1 611295854 ZXVKXJGWPWPOOD-ZKTNYTPDSA-N 437.521 4.412 5 20 IIBD COc1ccc2c(c1)CC[C@H](NC(=O)c1ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c1)C2 612087486 JMQPRKOLIQDWDT-JXFKEZNVSA-N 446.507 4.459 5 20 IIBD CCOc1ccc2c(c1)[C@@H](NC(=O)N1CCC(Oc3ccc([N+](=O)[O-])cc3)CC1)CCO2 614013748 LKEFKHOUSRZEBH-NRFANRHFSA-N 441.484 4.070 5 20 IIBD COc1cc(C(F)(F)F)ncc1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 616711086 KILQXZIWEDMJCY-UHFFFAOYSA-N 449.389 4.131 5 20 IIBD Cc1ccc(N(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 725741909 FQDLVTMTWAUOHB-UHFFFAOYSA-N 439.493 4.289 5 20 IIBD Cc1ccc(-c2nc(COC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)co2)cc1 726676184 OUBUBFWIBVMFSW-OAQYLSRUSA-N 449.463 4.215 5 20 IIBD CCOC(=O)Cn1ccc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3Br)ccc21 726917439 WVWDTHBGKKDFJS-UHFFFAOYSA-N 446.257 4.127 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 727710029 FAXLHBBZFOTTJV-INIZCTEOSA-N 438.267 4.154 5 20 IIBD Cc1c(C(=O)N(CCc2ccccc2)Cc2ccncc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 728168674 WUFIFNMZXYLUBD-UHFFFAOYSA-N 434.452 4.400 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1ccc(Sc2nncs2)c(Cl)c1 728186416 PSIOIDCZAUKLOB-UHFFFAOYSA-N 440.865 4.408 5 20 IIBD C[C@H](c1nc(-c2cccs2)no1)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 732983138 YIEIMCDIVXEZTI-GFCCVEGCSA-N 442.526 4.199 5 20 IIBD O=C(c1cc2occc2s1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 736011718 RDOGIOHCQZNNBO-UHFFFAOYSA-N 425.388 4.384 5 20 IIBD COc1cc(N2CCC(OC(=O)COc3ccc(C(C)C)cc3)CC2)ccc1[N+](=O)[O-] 739370873 QUBUMQBAGGCABB-UHFFFAOYSA-N 428.485 4.318 5 20 IIBD COC(=O)c1cc2cc(COC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])ccc2o1 744868824 AUVHNPJGZLKROD-LLVKDONJSA-N 433.800 4.292 5 20 IIBD O=C(OCc1nc(Cc2ccc(F)cc2)no1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 745568092 JTSHDUCOCDROLS-UHFFFAOYSA-N 425.294 4.084 5 20 IIBD CC(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 746187001 YHDKHYYYGFXZDY-UHFFFAOYSA-N 427.320 4.204 5 20 IIBD COc1ccc2cc([C@@]3(C)NC(=O)N(Cc4cc(Cl)ccc4[N+](=O)[O-])C3=O)ccc2c1 746390391 FQKDKADBMKWZBZ-JOCHJYFZSA-N 439.855 4.377 5 20 IIBD C[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(N2CCOC2=O)cc1 747652580 UMEPSAPDVVZCGI-CYBMUJFWSA-N 438.465 4.166 5 20 IIBD O=[N+]([O-])c1c(NC[C@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)nc2ccccn12 748793341 DESZISWRLZIKDL-HNNXBMFYSA-N 434.296 4.123 5 20 IIBD Cn1cccc1C(=O)N1CCCC[C@H]1CCOC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 750645733 OQBFTXJDXYHVAE-SFHVURJKSA-N 441.528 4.473 5 20 IIBD COc1c([N+](=O)[O-])cc(NCC2(CCO)CCCCC2)c([N+](=O)[O-])c1Br 753359060 DKPCJRHZJCTNTH-UHFFFAOYSA-N 432.271 4.019 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)N1CCC[C@H]1c1cccs1 754985084 ROUQNZIMAWCRIY-YGRLFVJLSA-N 426.853 4.358 5 20 IIBD Cc1c(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cccc1-c1ccccn1 755016910 UJQJJMWZXXKDJQ-UHFFFAOYSA-N 425.828 4.414 5 20 IIBD C[C@@H](OC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ncc(Cl)cc1Cl 755065836 MSJLYFUVBUYPEO-RKDXNWHRSA-N 430.219 4.110 5 20 IIBD O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)N1CCC[C@@H]1c1ccccc1 757745091 OWFQAAOFWFXDFR-CQSZACIVSA-N 429.267 4.022 5 20 IIBD CN1CCC[C@H](COC(=O)c2cc([N+](=O)[O-])cn2C)[C@@H]1c1ccc(C(F)(F)F)cc1 757892001 CGLAFWZOYOKGPH-KDOFPFPSSA-N 425.407 4.192 5 20 IIBD CCN(c1ccc(NC(=O)COC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1)C(C)C 758733234 RZJJBNXWJNMZLH-UHFFFAOYSA-N 438.484 4.035 5 20 IIBD Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 759805444 QESFGZJEMBCSRG-CQSZACIVSA-N 444.916 4.074 5 20 IIBD CCCN(CCC)C(=O)c1cccc(C(=O)O[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 759948516 MMICWDUTCQYZJM-WOJBJXKFSA-N 442.516 4.394 5 20 IIBD CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2cnc(C3CCC3)s2)NC(=S)N1C 760338539 OQLMFKBDYOZMLP-KRWDZBQOSA-N 443.554 4.093 5 20 IIBD Cc1c(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cccc1C(F)(F)F 760670498 OLLVELFLIBZXAX-LLVKDONJSA-N 425.338 4.053 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])c2nsnc2c1)C(=O)Nc1ccccc1-c1ccccc1 762973017 ACSWZIQZOOECOK-CYBMUJFWSA-N 448.460 4.451 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCOC[C@H]2c2ccccc2)c1=S 765048322 HDUWTWALEGJJRJ-IBGZPJMESA-N 425.514 4.040 5 20 IIBD O=C(Nc1ccccc1C(=O)N[C@H]1CCO[C@@H](C2CC2)C1)c1ccc([N+](=O)[O-])cc1Cl 765803194 QALBPVSASFBJPD-VBKZILBWSA-N 443.887 4.188 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CC3(CCC3)c3cc(Br)ccc32)cs1 766051741 JVDMKHMGZWKQQN-UHFFFAOYSA-N 429.317 4.049 5 20 IIBD CCC(=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2I)c(F)c1 766540260 XJCJFYBFODMUOA-UHFFFAOYSA-N 443.168 4.150 5 20 IIBD Cc1ccc(C(=O)O)cc1NC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 767073330 FCJBOYCULYHJQB-UHFFFAOYSA-N 447.447 4.151 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 771765410 NOXLYKXLBLFLAS-VXGBXAGGSA-N 446.426 4.381 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc(CC(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)c1 772252515 VCPICYQOQAYSAG-UHFFFAOYSA-N 437.456 4.309 5 20 IIBD Cc1ccc(-c2nc(C(=O)OCc3ccc(Br)c([N+](=O)[O-])c3)cs2)n1C 773459633 RUVZCSIORMNDLE-UHFFFAOYSA-N 436.287 4.485 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 774834546 WQOQWCWSOFLHED-GOSISDBHSA-N 434.493 4.115 5 20 IIBD CCc1csc(-n2cc(C(=O)O[C@H](c3cccnc3)c3ccccc3[N+](=O)[O-])cn2)n1 776139995 XPOYCXZECWAVKX-LJQANCHMSA-N 435.465 4.141 5 20 IIBD CCCCn1c(SC[C@@H](O)c2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(OC)cc1 776271864 NMVHYCQXZLAGSV-LJQANCHMSA-N 428.514 4.488 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)[C@H](C)c2c(C)n[nH]c2C)c2ccccc2)c([N+](=O)[O-])c1 776292010 ZOXFJYCQTWQIKZ-SZNDQCEHSA-N 436.468 4.270 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCC[C@@](C)(O)c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 778014894 ZUEQFESPCATSRQ-MZNJEOGPSA-N 434.496 4.191 5 20 IIBD CC(C)(C)c1csc(C2CCN(C(=O)c3cc([N+](=O)[O-])c4nsnc4c3)CC2)n1 778270843 XATGBRSCHKJEQK-UHFFFAOYSA-N 431.543 4.373 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)c1nn(-c2cccc(Cl)c2)c(C)cc1=O 778813020 YLLQCLDANJAHTQ-CQSZACIVSA-N 427.844 4.329 5 20 IIBD CC(C)C[C@H](NC(=O)OC(C)(C)C)c1noc([C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 781611067 WQZOXGFTKHQLFI-RDJZCZTQSA-N 445.476 4.455 5 20 IIBD O=C(C[C@@H]1CCCCCN1C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccco1 782009102 KZMNUWYMCYVNRV-INIZCTEOSA-N 429.429 4.073 5 20 IIBD CS(=O)(=O)c1cc(C(=O)Nc2ccc(N3CCCCCCC3)c(F)c2)cc([N+](=O)[O-])c1 782506097 KIYMWUJFBZMGRH-UHFFFAOYSA-N 449.504 4.160 5 20 IIBD CC(C)Oc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)c(Cl)c1 782800314 NLSFXWWRAAAVQX-GFCCVEGCSA-N 435.839 4.166 5 20 IIBD O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 788030821 XHIYCTOHPPEKHL-UHFFFAOYSA-N 446.511 4.149 5 20 IIBD C[C@@](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)(C(=O)O)c1cccc(Br)c1 788320998 PVYKQSPVEQLLBI-INIZCTEOSA-N 442.653 4.132 5 20 IIBD COC(=O)c1ccc(C(F)(F)F)nc1S[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 790278303 YYSXTRTZOMJEQZ-QMMMGPOBSA-N 447.366 4.054 5 20 IIBD O=C(COc1cc(F)c(Br)cc1[N+](=O)[O-])N1CCSc2ccccc21 790295472 HXHWNPYDRTXSOP-UHFFFAOYSA-N 427.251 4.014 5 20 IIBD CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cc1 791433274 TULLEQDOOSLHGO-UHFFFAOYSA-N 446.312 4.184 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CNC(=O)C(F)(F)F)CC1 799023844 IPAGMCYHVXKVAX-UHFFFAOYSA-N 447.479 4.018 5 20 IIBD COc1c([N+](=O)[O-])cc(N[C@H]2CCCC23CCOCC3)c([N+](=O)[O-])c1Br 799976630 UKHKXCTZHRCBMU-LBPRGKRZSA-N 430.255 4.035 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1F)C(C)C 800625035 XFGVYZVPAMPBFN-MRXNPFEDSA-N 425.819 4.287 5 20 IIBD CC(C)(C)OC(=O)NC[C@@]1(C)CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 801645977 LMHOQUFACKOVJE-GOSISDBHSA-N 446.426 4.382 5 20 IIBD C[C@@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(SCC(=O)N(C)C)cc1 809075000 SUIFVBNLVVBBHL-CQSZACIVSA-N 434.539 4.172 5 20 IIBD C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)[C@@H](c2ccccc2)CO1 809822929 WMYFODWUKWZGIV-BDJLRTHQSA-N 431.297 4.052 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Oc2cncc(-c3ccccc3)c2)ccc1Br 809854129 RMHZWBFWNPUWEY-UHFFFAOYSA-N 435.255 4.187 5 20 IIBD CC(=O)NCc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])s1 811372767 GGXNFOVODKSSDW-MRVPVSSYSA-N 445.280 4.027 5 20 IIBD COC[C@H](C)[C@@H](C)C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 812633108 WEPSFZAKFAVICX-IQUTYRLHSA-N 434.876 4.390 5 20 IIBD C[C@@H](CO)N(C[C@H](C)c1ccccc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br 813670135 PNVYLCXVXWNTFV-STQMWFEESA-N 439.281 4.123 5 20 IIBD CC(=O)c1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cs1 815282625 BNZPFSFSEPESHZ-VIFPVBQESA-N 430.360 4.062 5 20 IIBD CC(=O)N(c1nc(COC(=O)c2ccc([N+](=O)[O-])cc2N)cs1)c1ccc(C)cc1C 817988675 VKAFTHVPMZCKSH-UHFFFAOYSA-N 440.481 4.292 5 20 IIBD CC(C)[C@H](OC(=O)COc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(C(F)(F)F)c1 877034829 BAYJZDTYHNDLAC-SFHVURJKSA-N 440.374 4.199 5 20 IIBD CC[C@H](C)c1ccc(C(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cc1 904221258 NHPKBCJMJDHKCD-WMLDXEAASA-N 442.443 4.026 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2cc3ccc(C(C)C)cc3[nH]2)c([N+](=O)[O-])c1 914668201 DONCNCWFBBQIRC-ZDUSSCGKSA-N 425.441 4.392 5 20 IIBD Cc1cc(C)c(N2C[C@@H](C(=O)Nc3cc(C)nn3-c3ccc([N+](=O)[O-])cc3)CC2=O)c(C)c1 914721795 LHDGJJOLNDMFSN-SFHVURJKSA-N 447.495 4.006 5 20 IIBD O=C(Nc1ccc(OC(F)F)c(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 915308714 DFNYFPGBFHCIPP-UHFFFAOYSA-N 426.807 4.204 5 20 IIBD CNc1ccc(C(=O)O[C@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)cc1[N+](=O)[O-] 915368884 QFENXSIPDFIAOY-KRWDZBQOSA-N 439.390 4.475 5 20 IIBD CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cc([N+](=O)[O-])c(F)cc2F)NC(=O)N1CC1CC1 916726714 XDUUNYSHTBHHBF-HXUWFJFHSA-N 442.422 4.262 5 20 IIBD COc1ccc(CNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(OC)c1OC 917085471 OCSDTFBDRMZJOE-UHFFFAOYSA-N 431.323 4.160 5 20 IIBD Cc1nn(CN2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)c(=S)s1 917466292 UOEKAFJHCAPDKY-UHFFFAOYSA-N 447.611 4.395 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@@H](OCC(F)(F)F)C2)CC1 917752903 HWYJANXHMNMNCT-MRXNPFEDSA-N 429.439 4.015 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1cccc2ccccc12 919221247 FYBYRCUYESOULT-KGLIPLIRSA-N 437.408 4.079 5 20 IIBD O=C(Cc1c(Cl)cccc1Cl)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 920148991 UFIIFRRFHVKIME-UHFFFAOYSA-N 431.659 4.071 5 20 IIBD O=[N+]([O-])c1cc(CNC[C@H](O)COc2cccc(F)c2)ccc1Oc1ccc(F)cc1 920182761 RLDGCEPHHAVPHA-SFHVURJKSA-N 430.407 4.195 5 20 IIBD COc1cc(C(=O)OCc2ncoc2C(C)C)c([N+](=O)[O-])cc1OCc1cscn1 1254062518 WEGSEUFVMNAZGG-UHFFFAOYSA-N 433.442 4.107 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)O[C@H]2CCCC[C@@H]2C(F)(F)F)cc1[N+](=O)[O-] 1515054087 JWWXDSMYHQJLHB-AAEUAGOBSA-N 430.408 4.152 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)NC1(c2ccc(NC(=O)c3ccns3)cc2)CCC1 1787201947 KNOQHQWFWPSBDZ-UHFFFAOYSA-N 436.493 4.042 5 20 IIBD Cc1ccncc1C(=O)NC1(c2ccc(NC(=O)c3cc(C)c([N+](=O)[O-])cn3)cc2)CCC1 1788766421 MUSUOYSEAMRRJU-UHFFFAOYSA-N 445.479 4.063 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)CCC1)c1nccs1 1790624090 ZQTZSXISIXFANO-UHFFFAOYSA-N 440.456 4.252 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1cccs1 1796206922 AONGGVSVNYUMFK-MEVIVVSTSA-N 437.521 4.021 5 20 IIBD CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 1826400656 CLVIRCJDRMDGPE-IBGZPJMESA-N 449.979 4.457 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2)CC1 1826526462 JTTFXXTVANLBKQ-BQYDLMEBSA-N 437.496 4.135 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)Nc1ccc(Br)cc1Cl 11659087 WOUJSBWPZXHYAT-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)CCc1ncc(-c2ccccc2Cl)o1 12252761 KCLWTHZAHHWQRJ-UHFFFAOYSA-N 443.843 4.326 5 20 IIBD O=C(COC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)Nc1cccc2ccccc12 25211435 FUCHUZXYEXBGHM-UHFFFAOYSA-N 433.464 4.146 5 20 IIBD Cc1cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c(C)n1C1CC1 25378423 DRUHOECTJYJJMO-UHFFFAOYSA-N 436.434 4.329 5 20 IIBD C[C@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(NC(=O)C2CC2)cc1 28347011 MQJKBASZJJUEDG-QWHCGFSZSA-N 430.892 4.275 5 20 IIBD Cc1nc(-c2ccc(CCNC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)s2)cs1 31221864 ZXRQDUUYSSWNHO-UHFFFAOYSA-N 439.522 4.246 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=O)c2ccccc2CCc2ccccc2)CC1 58231709 XUMAMVRICKUMGB-UHFFFAOYSA-N 449.532 4.040 5 20 IIBD Cn1c(SC[C@@H](O)COc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(C(C)(C)C)cc1 61730105 HTMPLOOQQKJBRV-SFHVURJKSA-N 442.541 4.220 5 20 IIBD CCOC(=O)C1=C(C)N(Cc2cccs2)C(=O)N[C@H]1c1cc([N+](=O)[O-])c(F)cc1F 71944899 CMWLCPCLVYXEBH-KRWDZBQOSA-N 437.424 4.038 5 20 IIBD O=C(O)CCc1ccc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 238027272 ZEYNMIIEMGAFHR-UHFFFAOYSA-N 425.363 4.072 5 20 IIBD O=C(c1cc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)ccc1[N+](=O)[O-])N1CCCC1 301262173 DFRDOKVGZYRAHM-UHFFFAOYSA-N 425.329 4.152 5 20 IIBD CN(Cc1ccc(Br)cc1Cl)c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] 302730492 RZZGDTLHXWWLAV-UHFFFAOYSA-N 433.711 4.051 5 20 IIBD Cc1c([C@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)oc2ccccc12 303428747 FGQDMGUXFIRPKO-ZFWWWQNUSA-N 427.482 4.193 5 20 IIBD NC(=O)c1ccc(-c2nc(CSCCC(=O)Nc3ccccc3[N+](=O)[O-])cs2)cc1 409843516 OTKPIVAXETZOKQ-UHFFFAOYSA-N 442.522 4.079 5 20 IIBD Cc1cc(NC(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc(C)c1Br 426313277 MGSASBPJOJAQQC-UHFFFAOYSA-N 448.317 4.052 5 20 IIBD CCc1nn(C)cc1-c1noc(-c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)n1 426565071 KWNLMVBNVAOUOJ-UHFFFAOYSA-N 434.243 4.100 5 20 IIBD CN(C)CCN(Cc1ccccn1)C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 426610206 CPAWMXCHKRNEBN-UHFFFAOYSA-N 436.537 4.345 5 20 IIBD COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1OC)CC2 427116784 XRFBEKORCQDMPR-XMMPIXPASA-N 448.475 4.409 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](C)C(=O)N(Cc2ccccc2)c2ccccc21 427400854 WUPYKCBNOGLWDS-KRWDZBQOSA-N 445.475 4.433 5 20 IIBD O=C(NCc1ncc(-c2ccccc2)[nH]1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 429423425 KWKBEGDCHCCMKZ-UHFFFAOYSA-N 428.448 4.494 5 20 IIBD C[C@H](Cc1cccc(Br)c1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 429848174 RCLVPSDYMNKFFZ-SNVBAGLBSA-N 442.107 4.481 5 20 IIBD COc1ccc([C@@H](NC(=O)COc2c(Br)cccc2[N+](=O)[O-])C(C)C)cc1 431216110 LORJJEWIFPRNCX-SFHVURJKSA-N 437.290 4.258 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](c1ccc(Cl)cc1)c1ccn(C)n1 439908860 DVYNASDTAHPYKV-LJQANCHMSA-N 429.864 4.292 5 20 IIBD Cc1ccc(CN(Cc2ccco2)C(=O)CCn2cc([N+](=O)[O-])cn2)c(Br)c1 441562186 BNIQYKJJCFLRJU-UHFFFAOYSA-N 447.289 4.074 5 20 IIBD COc1ccc(C(=O)N2CCC(Nc3c(C)cc([N+](=O)[O-])cc3Cl)CC2)c(OC)c1 444832561 FYZAKCKRROHYGK-UHFFFAOYSA-N 433.892 4.291 5 20 IIBD O=C(Cc1noc(CCCNc2ccc([N+](=O)[O-])cc2)n1)Nc1ccccc1C(F)(F)F 445418846 QMLBWLNAFZDGNX-UHFFFAOYSA-N 449.389 4.223 5 20 IIBD COc1ccc(NC(=O)N(C)[C@H]2CCOc3ccc(Br)cc32)cc1[N+](=O)[O-] 446281863 DKSGKNHPSNDUQK-AWEZNQCLSA-N 436.262 4.353 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCSc3c(F)cccc32)c(Br)c1 447032801 AXTCFZZGDOHEJT-ZDUSSCGKSA-N 447.307 4.012 5 20 IIBD CN(C(=O)c1ccc(O[C@@H]2CCOC2)cc1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 448342471 QQVAFJRNHCOZBP-MRXNPFEDSA-N 425.466 4.163 5 20 IIBD Cc1ccc(-c2nnc(N(C)CCc3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCO2)s1 461175095 PGLPOISXBYDGPE-GOSISDBHSA-N 427.530 4.081 5 20 IIBD COc1ccccc1-c1ccc([C@H](C)NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 462488819 CMIQPWRNVFDFMU-AWEZNQCLSA-N 430.457 4.449 5 20 IIBD C[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 462638732 JMCLUSDKPRDPNZ-QGZVFWFLSA-N 438.505 4.402 5 20 IIBD COc1ccc(C[C@H]2CCCN(c3ccc(C(=O)c4nccn4C)cc3[N+](=O)[O-])C2)cc1 462889782 LKQJVIRLLPNDLH-GOSISDBHSA-N 434.496 4.027 5 20 IIBD CCn1ncc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1C(F)(F)F 466517601 VYWMYRNEZMJEHJ-UHFFFAOYSA-N 426.273 4.023 5 20 IIBD Cc1ccc(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c(OC[C@@H]2CCCO2)c1 466602544 XERVSPIQBKUCMZ-FQEVSTJZSA-N 427.501 4.196 5 20 IIBD C[C@]1(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCCS1 467319363 IUDHFPZJCVJYCQ-HSZRJFAPSA-N 436.537 4.392 5 20 IIBD CCOC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc([N+](=O)[O-])cc1Br 469015349 NJJPFGCYIZJGIP-UHFFFAOYSA-N 433.258 4.127 5 20 IIBD O=C1Nc2cc(Cl)ccc2[C@@H]1C1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 470128522 MXGUQIGCRMFQGQ-SFHVURJKSA-N 432.839 4.367 5 20 IIBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccc(Cl)cc1Br 471147679 MXTCLGGSZCFBCC-UHFFFAOYSA-N 427.638 4.424 5 20 IIBD COc1cc(C(=O)N2CCC[C@](C)(O)CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 473588846 DDPMQKCVECVJJR-NRFANRHFSA-N 434.876 4.426 5 20 IIBD Cc1sc(S(=O)(=O)NCc2nc(-c3cc4ccccc4o3)cs2)cc1[N+](=O)[O-] 476194639 KMBAFZAUITXNEV-UHFFFAOYSA-N 435.508 4.313 5 20 IIBD O=C1N[C@@H](c2ccc(Cl)c(F)c2)C(=O)N1Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 479180061 KQHSSUDZZMNLNU-AWEZNQCLSA-N 431.729 4.199 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](c1ccccc1)c1nc2ccccc2n1C 481411205 DTRRWCPVRLDEGU-QHCPKHFHSA-N 429.480 4.108 5 20 IIBD CCc1c(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cnn1-c1ccccc1Cl 482769538 RSTNZTYONMVAMW-UHFFFAOYSA-N 436.859 4.434 5 20 IIBD CCOc1cc(NC(=O)C(=O)N[C@@H](C)[C@@H](C)C2CCCCC2)c([N+](=O)[O-])cc1OCC 484097057 QJYUFKVXUYAGLC-CABCVRRESA-N 435.521 4.052 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(N[C@@H](c2ccccc2)c2cccnc2)c([N+](=O)[O-])c1 488009407 BDJZFASMFJJPDO-QFIPXVFZSA-N 440.525 4.222 5 20 IIBD CCOc1ccc(NC(=O)CNc2cc(Cl)ccc2OC[C@@H]2CCOC2)c([N+](=O)[O-])c1 488129556 CLWSXNBTMQXYJV-CQSZACIVSA-N 449.891 4.113 5 20 IIBD CC(C)c1ccc([C@@H](NC(=O)CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)C(C)C)cc1 488979265 IGKCEGQOVNNFHD-QHCPKHFHSA-N 427.549 4.065 5 20 IIBD O=[N+]([O-])c1ccn(CCSc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)n1 489691411 PACAUFLXTRDOGH-UHFFFAOYSA-N 430.877 4.137 5 20 IIBD Cc1ccc([C@H](C)NC(=O)NCc2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)cc1[N+](=O)[O-] 489899591 RHTYPGLMUNCIIC-OTWHNJEPSA-N 440.544 4.073 5 20 IIBD CC(C)CNC(=O)c1ccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1Cl 490093793 NXVZKTYHMALTRG-UHFFFAOYSA-N 432.908 4.465 5 20 IIBD O=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 490397780 KLIGVBOJIOHNBI-UHFFFAOYSA-N 443.423 4.276 5 20 IIBD COc1cccc([C@H](C)N2CCN(C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)c1 493280284 LMYCWIAOVRQBMU-ROUUACIJSA-N 426.517 4.061 5 20 IIBD CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1ccc([N+](=O)[O-])n1C 495075100 XZSFURAVALYXKK-UHFFFAOYSA-N 429.498 4.245 5 20 IIBD CCOc1ccc(C(=O)NC2CCN(c3nc4ccccc4s3)CC2)cc1[N+](=O)[O-] 499174159 BWFIYXSHKNTJSZ-UHFFFAOYSA-N 426.498 4.002 5 20 IIBD C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 499476645 WCKBVYNRJYAMDP-JTQLQIEISA-N 442.324 4.312 5 20 IIBD COc1ccc([C@@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])c2c[nH]c3ccccc23)cc1 499770807 OTHZDTRYNMLPOS-GOSISDBHSA-N 430.464 4.229 5 20 IIBD O=C(CN1CCCCCC1)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 499945670 LEOYUTLMCMPSGR-UHFFFAOYSA-N 430.892 4.315 5 20 IIBD COc1cc(CNc2ccc(C(=O)N3CCCC3)cc2C)c([N+](=O)[O-])cc1OCC(F)F 502650076 JULAVTJEMMUVRM-UHFFFAOYSA-N 449.454 4.404 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCc1cc(N)n(-c2ccccc2)n1 503021926 CNTVWKMKMDRQCO-UHFFFAOYSA-N 439.541 4.227 5 20 IIBD COc1ccc(-c2nc(C)c([C@H](C)NC(=O)COc3ccccc3[N+](=O)[O-])s2)cc1 505147029 PVSQZKQLRRGTOV-ZDUSSCGKSA-N 427.482 4.292 5 20 IIBD Cn1cc(CN2CC=C(c3ccc4c(c3)OCCO4)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 507719362 MFAXNEPDVRRBCP-UHFFFAOYSA-N 432.480 4.056 5 20 IIBD CC(C)n1c(SC[C@H](O)COc2cccc([N+](=O)[O-])c2)nc2cc(Cl)ccc2c1=O 508358108 IKDPEWPYTUPANF-OAHLLOKOSA-N 449.916 4.071 5 20 IIBD COC(=O)[C@@H](NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1)c1cccs1 509150803 HYVYXIIPVRJXAW-HNNXBMFYSA-N 449.535 4.217 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)Cc1ccccc1Br)c1ccccc1[N+](=O)[O-] 512004315 DFVPDSJFKSEECY-KRWDZBQOSA-N 449.301 4.099 5 20 IIBD Cc1sc(NC(=O)Cc2nnn(-c3ccccc3)c2C)nc1-c1cccc([N+](=O)[O-])c1 512316014 UAHFXCHNTOLOBX-UHFFFAOYSA-N 434.481 4.097 5 20 IIBD COc1ccc(Br)c2[nH]c(C(=O)N(C)CCc3cccc([N+](=O)[O-])c3)cc12 519003505 VBRHYBKYZZNZPD-UHFFFAOYSA-N 432.274 4.162 5 20 IIBD C[C@@H]1CCCCN1Cc1ccccc1CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 521466660 HLSRAECYYXMWSO-GOSISDBHSA-N 433.512 4.085 5 20 IIBD CC(C)(c1nc(CC(=O)Nc2ccc(F)c(Cl)c2)no1)c1ccc([N+](=O)[O-])cc1F 521941059 WBHXXMXBJYUYKU-UHFFFAOYSA-N 436.802 4.417 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccc(CN2CCSCC2)c1 522639804 DEAMBJLXKKQCDF-UHFFFAOYSA-N 435.933 4.205 5 20 IIBD CCN(CC)CCC[C@H](C)NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 522937270 AJGFMGFQLIBXFL-ZDUSSCGKSA-N 442.347 4.328 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N[C@H](Cc2ccc(C)cc2)c2ccccn2)c([N+](=O)[O-])c1 523741517 ORFUCFOLZCFBKN-VGOFRKELSA-N 434.496 4.207 5 20 IIBD Cc1sc(NC(=O)CCN2C(=O)CCc3ccccc32)nc1-c1cccc([N+](=O)[O-])c1 524250923 ODUQNYIGXQEOSM-UHFFFAOYSA-N 436.493 4.335 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)ccc1[N+](=O)[O-] 524688357 KEBZDTUHKQDBGC-HTAPYJJXSA-N 439.512 4.172 5 20 IIBD COc1cc(C(=O)NCc2ccc(Oc3ccccc3OC)cc2)c([N+](=O)[O-])cc1OC 524692241 WPXJZKTZCAQLQT-UHFFFAOYSA-N 438.436 4.343 5 20 IIBD CC1CCN(c2ccc(CNC(=O)NCCCCc3ccc([N+](=O)[O-])cc3)cn2)CC1 524838032 YWFCBIPGHBEEOV-UHFFFAOYSA-N 425.533 4.048 5 20 IIBD COc1ccc(CC(=O)N(Cc2cccc(Br)c2)CC2CC2)cc1[N+](=O)[O-] 530504597 NLTADVPTUBARIN-UHFFFAOYSA-N 433.302 4.347 5 20 IIBD COc1cc(C(=O)Nc2ccc3nc(C)[nH]c3c2)c([N+](=O)[O-])cc1OCc1cscn1 531676159 WVSAZLURHNLCDD-UHFFFAOYSA-N 439.453 4.076 5 20 IIBD O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 531888996 VFTFJKIIUPDBKT-UHFFFAOYSA-N 438.774 4.471 5 20 IIBD CCOc1ccc(NC(=O)CN2CCC[C@H](c3nc4ccccc4s3)C2)c([N+](=O)[O-])c1 533013193 HGKWIWLYZZAURW-HNNXBMFYSA-N 440.525 4.421 5 20 IIBD Cc1c(CNC(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)cnn1C 535379806 CTECMFDTLREVMV-UHFFFAOYSA-N 447.854 4.221 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCCc1cc(Cl)ccc1Br 536240295 QWCIAMAKRQRSDE-UHFFFAOYSA-N 436.693 4.393 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](Cc2ccccc2)C1 536515172 YGMASNLNLSVXJB-GOSISDBHSA-N 442.537 4.345 5 20 IIBD Cn1ccnc1[C@@H]1CCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 536593862 LXVZNCYZIVMFHF-UZLBHIALSA-N 439.903 4.151 5 20 IIBD O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N(Cc1ccncc1)Cc1cccnc1 537241146 NHDGVTNOMOBFRC-UHFFFAOYSA-N 425.448 4.289 5 20 IIBD CCCOc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)cc1OCCC 537347547 OIEKSCRCCLSYOM-UHFFFAOYSA-N 443.500 4.261 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(NC(=O)NC2CCCCC2)CC1 539335812 XIJRIPDJZHCTPZ-UHFFFAOYSA-N 448.589 4.332 5 20 IIBD COc1cc(NS(C)(=O)=O)ccc1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 539921866 KKNFNSFGROSXMS-UHFFFAOYSA-N 433.511 4.316 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(OCC3CC3)c(F)c2)c([N+](=O)[O-])c1 540425444 ZVXZMNIMGDVSKN-KBPBESRZSA-N 431.464 4.209 5 20 IIBD COc1ccc(Cl)cc1C1(CNc2ncnc3cccc([N+](=O)[O-])c23)CCOCC1 541591472 GMONSISDQINVIE-UHFFFAOYSA-N 428.876 4.360 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(OCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)n1 541983507 HAPDWSOFSOBTHK-OAHLLOKOSA-N 442.522 4.486 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 542215431 HQSHCKGTGBAWOM-IBGZPJMESA-N 435.505 4.053 5 20 IIBD C[C@@H](C(=O)Nc1cc(Br)ccc1-n1cccn1)c1ccc([N+](=O)[O-])cc1F 542549680 CNYMXMQNECFGGP-LLVKDONJSA-N 433.237 4.424 5 20 IIBD COc1cccc(-c2noc([C@H](C)N[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)n2)c1 542611401 IZHHIQZHPABNSN-QWHCGFSZSA-N 436.428 4.115 5 20 IIBD COc1ccc(-n2ccnc2S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c(C)c1 544075150 CGUBUGOPDLRXIF-CQSZACIVSA-N 442.497 4.225 5 20 IIBD O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 544660755 VIMXEISQQVUKDJ-UHFFFAOYSA-N 446.868 4.180 5 20 IIBD Nc1ccc(-c2noc(CSc3nnc(-c4ccc(Cl)cc4)o3)n2)cc1[N+](=O)[O-] 545552101 APONBIDJFZECLI-UHFFFAOYSA-N 430.833 4.223 5 20 IIBD COCc1cccc(-c2noc(-c3cc(I)cc([N+](=O)[O-])c3)n2)c1 545636450 LTDMKWBQTTZQIC-UHFFFAOYSA-N 437.193 4.063 5 20 IIBD Cc1ccncc1N(C)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 547336771 CUTGZLCQUYFPIE-UHFFFAOYSA-N 427.464 4.356 5 20 IIBD C[C@@H](c1ccccc1)[C@@H](NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)C(N)=O 553089020 VXAUYWSQZOUKIZ-YCRPNKLZSA-N 435.505 4.133 5 20 IIBD Cc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)n1C1CC1 557198355 FPCXLXVNASVXIR-UHFFFAOYSA-N 426.864 4.347 5 20 IIBD COC(=O)c1cc(C)nc(N2CCC[C@@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)c1[N+](=O)[O-] 557626837 JATDCUCTGOVXDD-QGZVFWFLSA-N 441.875 4.470 5 20 IIBD O=C(NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)c1c[nH]c2cccc([N+](=O)[O-])c12 558578463 LDFDDFOIRFSKGT-UHFFFAOYSA-N 445.357 4.161 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@@H](c3ccccc3)C[C@H]2OC)cc1OC 569269894 ZKJNHLDLFOKPGG-YVWKXTFCSA-N 428.485 4.083 5 20 IIBD Cn1ccnc1[C@H](NC[C@H]1CCCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 574123381 AOYGHYPEVINBHL-ZJSXRUAMSA-N 433.556 4.310 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCn3c(cc4ccccc43)C2)c(C(F)(F)F)c1 574779084 BBCMJCBWYZAJGL-UHFFFAOYSA-N 439.415 4.163 5 20 IIBD O=C(NCc1cnc(-c2ccc(Cl)cc2)s1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 577048885 LCOAHVMHNUGCQU-UHFFFAOYSA-N 439.884 4.487 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3cccc(CSC)c3)CC2)ccc1[N+](=O)[O-] 582583634 SEFMTHSYVKPGMP-UHFFFAOYSA-N 430.530 4.211 5 20 IIBD COc1cc(C(=O)N[C@@H]2CCCCC[C@H]2O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 583164276 ABLRDIZXFGWZJA-NVXWUHKLSA-N 434.876 4.473 5 20 IIBD CCC[C@@H](NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(F)cc1F 583777497 ZPJLSNMAPGOYQQ-LJQANCHMSA-N 431.439 4.022 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCNC(=O)[C@@H]3c3ccccc3C)c([N+](=O)[O-])c2)cc1 600841951 LLVMLYYARFPHMV-QHCPKHFHSA-N 444.491 4.141 5 20 IIBD COc1ccc(CSCC(=O)Nc2cccnc2OCc2ccccc2)cc1[N+](=O)[O-] 603817953 GPBNVIHJDGJIQB-UHFFFAOYSA-N 439.493 4.449 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc([N+](=O)[O-])c1 604119936 TVNBHCLTLMZDTG-UHFFFAOYSA-N 443.799 4.132 5 20 IIBD COc1cccc2c1OCC[C@H]2N=c1c([N+](=O)[O-])c[nH]c2ccc(Br)cc12 608779523 ZBTTVODHLSCIRA-OAHLLOKOSA-N 430.258 4.272 5 20 IIBD COc1ccc(-c2nc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)sc2C)cc1 608931360 RFKGVUKIKFVYAN-UHFFFAOYSA-N 427.438 4.059 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCO[C@@H](c2ccc(F)c(F)c2)C1 608964678 MBOCWRAEQZFCSX-QGZVFWFLSA-N 446.328 4.028 5 20 IIBD O=C(CC(F)(F)F)N1CCC(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 609223696 HRTIJPRXGMBUTM-UHFFFAOYSA-N 427.448 4.356 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CCCc2c(Cl)ccc(F)c21 609447555 PXEHPFXKECIKCF-UHFFFAOYSA-N 449.685 4.291 5 20 IIBD C[C@@H](OCCCNC(=O)COc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 609962526 LBGKVYIRWODFCW-CQSZACIVSA-N 437.290 4.020 5 20 IIBD C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 610122731 ULYNCRZWGDSMEZ-HNNXBMFYSA-N 427.526 4.176 5 20 IIBD COc1cc(C(=O)NC[C@H](C)c2cccc(C)c2)c([N+](=O)[O-])cc1OCc1cscn1 610156075 QTTFUTKTXFBYLQ-HNNXBMFYSA-N 441.509 4.481 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(COC(C)(C)C)cc2)ccc1[N+](=O)[O-] 610624707 XKFIBZFQNCVELU-OAQYLSRUSA-N 439.512 4.462 5 20 IIBD Cn1ccnc1[C@@H](N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1cccc([N+](=O)[O-])c1 611560916 FNBMLCABGWDDOQ-XLIONFOSSA-N 445.445 4.305 5 20 IIBD O=C(Nc1cnn(Cc2ccccn2)c1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 618648519 WSAKGIZJPQUVBL-UHFFFAOYSA-N 429.436 4.066 5 20 IIBD COc1ccc(CNC[C@H](O)c2cccc(F)c2)cc1OCc1ccc([N+](=O)[O-])cc1 725847595 GNJMLICPQOWTOY-NRFANRHFSA-N 426.444 4.145 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1csc(Cc2ccc(F)cc2)n1 727020831 YPKCSTSQZFCSDU-UHFFFAOYSA-N 440.412 4.188 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)CN1C(=O)N[C@](C)(c2ccc(F)cc2Cl)C1=O 728899538 WGHPOYOBAUHFCQ-OAQYLSRUSA-N 448.882 4.022 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)C1CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 730267589 QBANPQYCPWRXTB-GJZGRUSLSA-N 445.520 4.331 5 20 IIBD O=C(OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Oc1cccnc1 730702360 DVMRXYFCWRQUKU-KRWDZBQOSA-N 447.447 4.244 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 731834127 UQLBQIZNKKDRLE-JOCHJYFZSA-N 443.931 4.434 5 20 IIBD Cc1c(C(=O)OCc2csc(-c3ccc(F)cc3)n2)nnn1-c1cccc([N+](=O)[O-])c1 733514091 PWSOVLVJIXVHEI-UHFFFAOYSA-N 439.428 4.104 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 735169840 ZCMUJMIUOMVZGM-GFCCVEGCSA-N 426.807 4.250 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCCC[C@@H]1c1cccc(C)c1C 742863787 XUTJFAFPHVDSLM-LJQANCHMSA-N 426.469 4.165 5 20 IIBD CC(C)=CCOc1cccc(C(=O)OCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 744065733 DQWKXHURSGGFBR-UHFFFAOYSA-N 432.860 4.180 5 20 IIBD CCCc1ncc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)s1 745264161 DMYDQBNZSXFVNC-LLVKDONJSA-N 446.510 4.311 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1F)c1ccccc1CS(=O)(=O)c1ccccc1 746982587 PDKUZJWEBRYEGH-UHFFFAOYSA-N 429.425 4.065 5 20 IIBD CC(C)(C)OC(=O)Nc1ccccc1C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 748336275 SQECVGYXBKWAHW-UHFFFAOYSA-N 449.847 4.391 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)OCc1ccnc(-c2ccc(Br)cc2)n1 750038400 SWRKSHFWUPQCFM-UHFFFAOYSA-N 442.269 4.490 5 20 IIBD CCN(Cc1ccc2ccccc2c1)C(=O)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 751243995 WKUCLUUPPCQGJJ-UHFFFAOYSA-N 437.408 4.090 5 20 IIBD COc1ccc(CCC(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)cc1Br 751644584 LBHSNOCXIWVKER-UHFFFAOYSA-N 435.230 4.183 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)c1nc(-c2ccccc2)no1 751692056 ZJGSYSDNPADHFI-SECBINFHSA-N 436.193 4.464 5 20 IIBD CC(C)(C(=O)OCc1cn(-c2ccccc2)nc1-c1cccs1)n1cc([N+](=O)[O-])cn1 754905338 HMPFCMJNPHSDRS-UHFFFAOYSA-N 437.481 4.184 5 20 IIBD CN1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c2ccc(F)cc21 755020937 KVEHLRMYJFUUHP-UHFFFAOYSA-N 426.217 4.122 5 20 IIBD CC(C)[C@H](OC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)N[C@@H]1CCOc2ccccc21 755066807 OXVASCWXENHAPI-ZKYUUJBMSA-N 444.459 4.045 5 20 IIBD Cc1cc(C(=O)COC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c(C)n1CC(F)(F)F 755069474 VIRZBVLYZMLUFV-LLVKDONJSA-N 430.354 4.244 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NCCc2ccc(NC(=O)OC(C)(C)C)cc2)c1[N+](=O)[O-] 756138256 BVPRHJUPLPRTCE-UHFFFAOYSA-N 446.460 4.305 5 20 IIBD COc1cc(COC(=O)Cc2ccc([N+](=O)[O-])cc2Br)ccc1SC 756524313 CPTIAXQCQZFNJT-UHFFFAOYSA-N 426.288 4.374 5 20 IIBD CC[C@H]1CN(c2cc(Cl)c(C(=O)OC)cc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C 756955343 LDXJUYMCRBCUOF-WFASDCNBSA-N 441.912 4.164 5 20 IIBD COc1ccc(C(C)(C)C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC 758145828 LQTQDACXZXQGEY-CYBMUJFWSA-N 441.440 4.244 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)c1nc(-c2ccc(Br)cc2)no1 760828219 HXNVKQWZCVTDNG-SECBINFHSA-N 435.209 4.037 5 20 IIBD CC[C@H](OC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1c(F)cccc1Cl 763568335 VRMQLUHVTBTUBO-AWEZNQCLSA-N 426.853 4.273 5 20 IIBD CC(=O)OCCCc1cccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 765371294 NMHFZBJDSLFQQN-UHFFFAOYSA-N 441.484 4.166 5 20 IIBD C[C@@](O)(CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1ccccc1Cl 765765694 UGEXTSAFJCTNOU-MRXNPFEDSA-N 448.100 4.302 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 767196705 WKUIFTRBDBXHCE-HNNXBMFYSA-N 430.386 4.429 5 20 IIBD O=C(COC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)COc1ccc(Cl)cc1 767317134 RXLSROIAJHGWCR-UHFFFAOYSA-N 432.841 4.177 5 20 IIBD C[C@@H](Sc1nnc(-c2cccc(Cl)c2)n1C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 768419374 XAMYQODRDLEOBF-SNVBAGLBSA-N 435.868 4.302 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N(Cc1ccccc1)C[C@H](O)c1ccco1 771004497 IFKJWSCHXCEXFS-SFHVURJKSA-N 445.269 4.326 5 20 IIBD C[C@@H](OC(=O)[C@H](C)c1cn(C)c2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 772837560 BEUGEHUXYNLOSB-CHWSQXEVSA-N 429.860 4.414 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2ccc(N(C)C)cc2)CC1 775975572 RMMNFAVOKMXMHP-UHFFFAOYSA-N 443.569 4.419 5 20 IIBD CCc1ccccc1N1C[C@@H](C(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])CC1=O 776134514 CFUNGMVDFWDAID-YADARESESA-N 445.475 4.238 5 20 IIBD CSc1cccc(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c1[N+](=O)[O-] 776750761 FYYLSCYFMBVLLO-HNNXBMFYSA-N 447.469 4.038 5 20 IIBD COc1cc(CN2CCCC[C@H]2[C@@H](O)c2ccccc2)c([N+](=O)[O-])cc1OCC(F)F 779001664 ICUJPEFKOCGFAK-JTSKRJEESA-N 436.455 4.335 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 779569078 CDGJTRTYNXIHFY-VPAPRSNLSA-N 432.480 4.011 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 780483834 SUMPEBYTKWREFH-SFHVURJKSA-N 434.537 4.006 5 20 IIBD O=C(COC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccc(Br)cc1 781679107 WISKQEMUZKZPHO-UHFFFAOYSA-N 443.047 4.160 5 20 IIBD C[C@@H](OC(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1)c1ccccc1[N+](=O)[O-] 781898421 RHJQPQCTXOKPKD-MRXNPFEDSA-N 440.477 4.338 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCC(c2nc3ccccc3s2)CC1 783306242 WGIODEVKAIEHFV-UHFFFAOYSA-N 444.900 4.203 5 20 IIBD Cc1nc(C(=O)OCc2ccc([N+](=O)[O-])c(F)c2)nn1-c1c(Cl)cccc1Cl 783452537 QMWPHBBQYRGUBR-UHFFFAOYSA-N 425.203 4.287 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])OCc1ccc(Br)c2cccnc12 785202415 DHGRZISEXJGYCN-UHFFFAOYSA-N 431.242 4.418 5 20 IIBD C[C@H](OC(=O)Cc1cc(-c2ccccc2)on1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 785974296 FXKMDVLESWOVJM-LBPRGKRZSA-N 429.816 4.016 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3ccc(Cl)s3)cn2)c([N+](=O)[O-])c1 788558952 DZFHQTDWJPMIFG-UHFFFAOYSA-N 440.846 4.081 5 20 IIBD COc1ccc(NC(=O)COc2cc(F)c(Br)cc2[N+](=O)[O-])cc1Cl 790294993 FAZKSSYORGXRES-UHFFFAOYSA-N 433.617 4.176 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCCN(CCCc2ccccc2)CC1 790624607 QHXQBBYJZFKZOB-UHFFFAOYSA-N 433.911 4.097 5 20 IIBD C[C@@]12CCN(C(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])C[C@@H]1C2(Cl)Cl 791190529 CRBBQDXUKFRTGN-GXTWGEPZSA-N 427.206 4.192 5 20 IIBD CN(C)c1cc(F)c(C(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)cc1[N+](=O)[O-] 791222121 PKAHKXNICDSBMN-FQEVSTJZSA-N 428.851 4.368 5 20 IIBD O=C(OCc1c(F)ccc(Br)c1F)c1cc(O)nc2ccc([N+](=O)[O-])cc12 797864277 JWHMAQOPBHVPEH-UHFFFAOYSA-N 439.168 4.246 5 20 IIBD Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])on1 799553632 OFUHBDDZXYZBEB-ZDUSSCGKSA-N 427.438 4.226 5 20 IIBD COc1cccc(-c2nnc(Sc3nc4ccccn4c3[N+](=O)[O-])n2Cc2ccco2)c1 799846125 UDGQUUPQPJAGEK-UHFFFAOYSA-N 448.464 4.302 5 20 IIBD Cn1c(COc2ccccc2)nnc1SCc1ccc(Br)c([N+](=O)[O-])c1 800836027 BLZJJTREKGPMQX-UHFFFAOYSA-N 435.303 4.357 5 20 IIBD CSc1cccc(C(=O)OCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)c1[N+](=O)[O-] 800979382 ZOZTUSIGCZKYOH-UHFFFAOYSA-N 449.428 4.096 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)OCc1nc2ccc(Br)cc2o1 803093737 UXMRZXKJKVAJKN-UHFFFAOYSA-N 434.246 4.434 5 20 IIBD CC[C@H](OC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-])c1ccc(F)cn1 808948374 RYOHBEJCEXEPRG-KRWDZBQOSA-N 447.444 4.481 5 20 IIBD CC(C)c1ccc2c(c1)[C@H](NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)CC2 810389491 HEOSUIKLQKQIMQ-QGZVFWFLSA-N 446.301 4.223 5 20 IIBD Cc1cccc(C(=O)Nc2ccccc2C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 847395922 FKRDXIFIUQIJNP-MRXNPFEDSA-N 447.447 4.340 5 20 IIBD CCCOc1c(Br)cc(C(=O)Oc2cc([N+](=O)[O-])ccc2OC)cc1OC 899536686 GLXRWKLWSDUDDY-UHFFFAOYSA-N 440.246 4.383 5 20 IIBD Cc1cccn2c(=O)cc(COC(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)nc12 916408453 HAYHAWJLKNINGW-UHFFFAOYSA-N 447.472 4.419 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1[N+](=O)[O-] 916791536 CNUOQMGATCWZGL-UHFFFAOYSA-N 440.880 4.013 5 20 IIBD COc1ccccc1[C@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NC(=O)OC(C)(C)C 917731019 HOPZKJLZOATEKJ-INIZCTEOSA-N 449.891 4.253 5 20 IIBD CCc1noc2ncc(C(=O)Oc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)cc12 918398995 HRLWFACTJUGNMG-UHFFFAOYSA-N 432.392 4.165 5 20 IIBD C[C@@H](SCc1ccccc1)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 919378512 SPNUDFWQOOMYHT-GFCCVEGCSA-N 442.415 4.417 5 20 IIBD O=C1CCc2cc(OC[C@@H](O)CNCc3c4ccccc4cc4ccccc34)ccc2N1 920414434 FCOSRUIVMGLVIP-NRFANRHFSA-N 426.516 4.407 5 20 IIBD O=C(CN1Cc2ccc([N+](=O)[O-])cc2C1)N1N=C(c2cccs2)C[C@@H]1c1cccs1 1116161044 GUPCLEKKZRMBOO-GOSISDBHSA-N 438.534 4.411 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cncc(OCC(F)F)c2)cc1)c1cccc([N+](=O)[O-])c1 1319289137 HIIKKKYYXUAOLM-UHFFFAOYSA-N 443.362 4.105 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C1 1323838294 NZHLSCINHDPZLW-QWHCGFSZSA-N 435.912 4.321 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccc(C2(NC(=O)[C@H]3CCCS3)CCC2)cc1 1786208047 HOZDYJBGLJQXKB-XSFOEPMVSA-N 441.509 4.231 5 20 IIBD C[C@H](C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1)c1ccccc1 1790188291 ARLLAJXOUHODFE-INIZCTEOSA-N 432.480 4.474 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3nc4ccccc4o3)cc2)CCC1)c1ccc([N+](=O)[O-])o1 1790848462 BDJYWSXGGLFVBH-UHFFFAOYSA-N 446.419 4.391 5 20 IIBD COc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccccn4)CCC3)cc2)ccc1[N+](=O)[O-] 1792164162 XIXHFLQQFVIORM-UHFFFAOYSA-N 446.463 4.060 5 20 IIBD Cc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(Cl)s2)C3)cc1[N+](=O)[O-] 1800135482 MPFARGOWNKWOEW-MUJYYYPQSA-N 447.944 4.113 5 20 IIBD Cc1ccc([C@@H](C)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(F)c2[N+](=O)[O-])cc1 1800530298 IKJZJUAQKKOCIC-OQIJWPOYSA-N 439.487 4.098 5 20 IIBD CC/C=C(\C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2cc([N+](=O)[O-])ccc2F)n[nH]1 1815645030 UYRJRHIFTGMLCG-HOWNQORCSA-N 443.479 4.048 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)C23CC(C2)C3)CC1 1832474244 NFXIKXVVJNXFKI-XUGLNINTSA-N 443.519 4.076 5 20 IIBD Cc1cc(CCCC(=O)N2CC3(CCCN3C(=O)CCC(C)C)C2)c([N+](=O)[O-])cc1F 1845983444 PFMCTACEEPINNS-UHFFFAOYSA-N 433.524 4.005 5 20 IIBD Cc1cccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)c1F 1847358924 YPRQRMYUUXUYHY-ROUUACIJSA-N 445.878 4.133 5 20 IIBD C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1nc2ccccc2n1C(F)F 10319985 PYCJULWDRSPJJT-CQSZACIVSA-N 443.454 4.433 5 20 IIBD Cc1c(C(=O)OCC(=O)Nc2ccc(Br)cc2Cl)cccc1[N+](=O)[O-] 11432164 ZZSOSOZFJSOQSC-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1nc(Cl)ccc1Cl)c1ccccc1[N+](=O)[O-] 14376988 RFFZZMBOWQOTSF-ZDUSSCGKSA-N 426.256 4.109 5 20 IIBD COc1ccc(C(NC(=O)CNc2cc([N+](=O)[O-])ccc2C)c2ccc(OC)cc2)cc1 15289039 BQUJSCKRXBKEPX-UHFFFAOYSA-N 435.480 4.238 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc(C(C)C)c2)CC1 15740984 CVWVIOZROHQSTH-UHFFFAOYSA-N 445.541 4.066 5 20 IIBD NC(=O)c1ccc(CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)c([N+](=O)[O-])c1 16565231 IDMKTJCBRZTBPI-UHFFFAOYSA-N 434.481 4.061 5 20 IIBD C[C@H](Sc1nnc(-c2cccc(Cl)c2)n1N)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 17724448 XMGWGBPFTCSJMP-JTQLQIEISA-N 443.876 4.124 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2cccc3ccccc23)cc1OC 18969337 YJEJXKXIPCIOSI-AWEZNQCLSA-N 438.436 4.339 5 20 IIBD COC(=O)c1cc(C(=O)O[C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)cc([N+](=O)[O-])c1 23514865 PZLBNYJAWKUFSG-NRFANRHFSA-N 448.431 4.227 5 20 IIBD Cc1ccc(C(=O)CCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 23558308 WJNKGWMFQYDPBS-UHFFFAOYSA-N 449.429 4.234 5 20 IIBD CN(C(=O)COC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 29448070 SSVPYPUBHIHKGT-UHFFFAOYSA-N 448.435 4.059 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1cc(C(F)(F)F)ccc1Br 33651878 OZDNJMKXDUHWNB-UHFFFAOYSA-N 439.209 4.318 5 20 IIBD O=C(NCC1(c2cccc(Br)c2)CCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 72007097 ZKSQLZNBEJWROT-UHFFFAOYSA-N 434.246 4.117 5 20 IIBD CCOc1ccc([C@@H](C)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1OCC 72100661 UCEKUAQZALZLCM-MRXNPFEDSA-N 427.501 4.483 5 20 IIBD O=C(c1cc2cc(Br)ccc2o1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 105630378 LGJACDIECIXHBB-UHFFFAOYSA-N 430.258 4.066 5 20 IIBD COc1ccc([C@@H](C)Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1Br 301933283 PVPVCWLRILWYON-MRVPVSSYSA-N 435.321 4.004 5 20 IIBD O=C(c1ccccc1OCc1ccc(F)cc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 303714888 QQZXXKKIWOOCIZ-GOSISDBHSA-N 436.443 4.035 5 20 IIBD Nc1nc(C2CCCC2)ncc1-c1noc(Cn2c3ccccc3c(=O)c3ccccc32)n1 426200229 GUGZZZFBOYBZMF-UHFFFAOYSA-N 438.491 4.283 5 20 IIBD CC1CCN(Cc2csc(NC(=O)CN(Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2)CC1 428457163 MABZDILRHXNQDI-UHFFFAOYSA-N 445.589 4.132 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2c(SC)cnn2-c2ccccc2)cc1SC 429869219 FIIBRMHVXYAPLU-UHFFFAOYSA-N 430.511 4.485 5 20 IIBD CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 430432592 AMNXZHKPZWFQNE-SJLPKXTDSA-N 427.309 4.110 5 20 IIBD CN(Cc1ccccc1)CC1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 431928347 UYRRRAOOFMJTQR-UHFFFAOYSA-N 446.345 4.342 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCN(Cc2ccc(Cl)cc2)CC1 435833984 HRRZYRFZLBTPHY-UHFFFAOYSA-N 431.923 4.293 5 20 IIBD O=C(NCc1ccccc1Cn1cccn1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 435939439 VGNQVAXMJWNTNJ-UHFFFAOYSA-N 444.441 4.134 5 20 IIBD CCC(CC)c1noc(-c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2O)n1 436935369 WKUDJMKDHRCPAN-UHFFFAOYSA-N 432.458 4.055 5 20 IIBD Cc1ccc([C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C)S(C)(=O)=O)cc1 437353718 QUMFKMVHSPZZIQ-QRWLVFNGSA-N 445.566 4.291 5 20 IIBD O=C(N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 437450582 SAXRLWBCKXQBGQ-KOMQPUFPSA-N 430.386 4.475 5 20 IIBD CCc1noc(-c2ccc(CCNC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)cc2)n1 438017734 XGMUKPMGYWTWSB-UHFFFAOYSA-N 435.484 4.124 5 20 IIBD COc1ccc(NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)c(OCc2ccccc2)c1 439020273 NSQLGLFTCTYUTR-UHFFFAOYSA-N 438.436 4.452 5 20 IIBD CSc1ccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1Cl 439316540 LGXJXGZVZNZJST-UHFFFAOYSA-N 431.804 4.149 5 20 IIBD CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 440466220 AGKRZQIJLTVRSC-CVEARBPZSA-N 427.526 4.123 5 20 IIBD O=C(Nc1nc(Cc2nc(-c3ccc([N+](=O)[O-])s3)no2)cs1)c1ccccc1F 445472718 PMNWBTUTXXVZSA-UHFFFAOYSA-N 431.430 4.145 5 20 IIBD COc1cc(Cc2noc(Cc3cccc(OC(F)(F)F)c3)n2)c([N+](=O)[O-])c(OC)c1 445817093 ZXQZUWBPCKGGDB-UHFFFAOYSA-N 439.346 4.075 5 20 IIBD COc1nc(C)c(Br)cc1-c1noc([C@H](C)c2ccc([N+](=O)[O-])cc2F)n1 446008785 CUKQGCIJOLUAIT-MRVPVSSYSA-N 437.225 4.410 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccc(OCC2CCOCC2)cc1 446025210 BLNVAKNCKBTQSR-UHFFFAOYSA-N 449.301 4.344 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc([C@H]3C[C@H]4CC[C@H]3C4)[nH]n2)c(C(F)(F)F)c1 446942899 UXSXXRFISQLGMW-NHCYSSNCSA-N 430.408 4.041 5 20 IIBD C[C@H](c1c(F)cccc1F)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 461584755 ZIEWKKSHKWIRQQ-CABCVRRESA-N 443.454 4.365 5 20 IIBD COCCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCO1)[C@@H]1CC[C@@H](C)C1 461863923 GHGWWMKKUQQPLK-QFUCXCTJSA-N 443.548 4.064 5 20 IIBD CCS(=O)(=O)Nc1ccc(Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)cc1 462489891 FQCRZIDCPZXNKO-UHFFFAOYSA-N 428.470 4.074 5 20 IIBD CCN(CC)C(=O)COc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 463097543 JYFVANDCIBGINT-UHFFFAOYSA-N 439.390 4.113 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC[C@@H](C)c1cccc(C(F)(F)F)c1 464035273 ZHBNLQKZOMTSPL-GFCCVEGCSA-N 437.418 4.479 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1 464722400 FOAIHFRYXUXMSL-UHFFFAOYSA-N 434.489 4.412 5 20 IIBD O=C(NCCc1nc(C(F)(F)F)cs1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 464930760 TUALGVDCIQSVKL-UHFFFAOYSA-N 428.417 4.166 5 20 IIBD COCc1nc(=NC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)s[nH]1 466263813 WFBAOFYPSIBGTF-UHFFFAOYSA-N 436.902 4.072 5 20 IIBD O=C(Nc1cc(Br)c(F)cc1F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 467039117 VBCZRMPROIHDOD-UHFFFAOYSA-N 426.217 4.488 5 20 IIBD COc1cccc([C@@H]2[C@@H](NC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)CCN2C2CC2)c1 467216382 KFIPHXXMJBKSJO-LEWJYISDSA-N 444.919 4.034 5 20 IIBD O=C(Nc1ccc(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1)c1ccc(F)cc1 468536223 LXSNYMUPJRAASN-UHFFFAOYSA-N 448.454 4.254 5 20 IIBD Cc1ccc(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c(-c2nc(C3CC3)no2)c1 470394222 QBIBSXQNSCYUSQ-UHFFFAOYSA-N 435.440 4.126 5 20 IIBD CC[C@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C1CCOCC1 470669627 RDTUCBSJPLMKEB-KRWDZBQOSA-N 443.466 4.151 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H]1CCCC[C@@H]1n1cccn1 470685166 XLFZFSKGDQMSQX-KGLIPLIRSA-N 428.436 4.202 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 472718906 YOVXDRXXDJJVOD-QGZVFWFLSA-N 446.472 4.234 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 473687148 SPDSDCJNLBHPOH-UHFFFAOYSA-N 430.511 4.169 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(F)cc(Cl)c1O 474438937 SKDANWQXMOSSOS-UHFFFAOYSA-N 428.825 4.000 5 20 IIBD COc1cc(OCC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccco2)ccc1[N+](=O)[O-] 475881102 MVVLXIMFQXOHDI-FQEVSTJZSA-N 435.436 4.262 5 20 IIBD CC[C@H](C)NC(=O)c1ccc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c(C)c1 477558677 JCZJAORDPCJCEC-AWEZNQCLSA-N 432.908 4.449 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N[C@H](CCO)C2CCCCC2)cc1[N+](=O)[O-])c1ccccn1 477939036 URLLZZSCPLKBMZ-OXQOHEQNSA-N 426.517 4.224 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O 478919046 HZDDNYRWQDYPRZ-OAHLLOKOSA-N 435.402 4.074 5 20 IIBD CCn1c(S[C@H](C)C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)nnc1-c1ccc([N+](=O)[O-])cc1 481348405 PWSRTPMMMSNEBP-BSZJXLGXSA-N 443.573 4.295 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(Br)c1 481597499 NAWZJTAUSHPSJA-UHFFFAOYSA-N 425.304 4.026 5 20 IIBD Cc1cc(N(CCc2ccccn2)Cc2cccnc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 485419778 GDORCIPMPCVJOE-UHFFFAOYSA-N 426.480 4.400 5 20 IIBD O=C(NC1CC1)c1cccc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1 485526179 AFMXKHHRWVUMCH-UHFFFAOYSA-N 433.414 4.104 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1-c1ccc(F)cc1 485680799 WHOPPEFHBBMLRD-UHFFFAOYSA-N 425.391 4.299 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccccc1OCC(F)(F)F 486213713 HTCLUITWXRNZTB-UHFFFAOYSA-N 431.798 4.231 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CSc2ccc(Br)cc21 486480346 RDSRUSKJFFLROZ-CYBMUJFWSA-N 429.317 4.020 5 20 IIBD COc1cc(F)c([C@@H](C)NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 487041828 YHTKCXHNYCFEIA-LLVKDONJSA-N 425.844 4.007 5 20 IIBD O=C(NCc1ccc(COC2CCOCC2)cc1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 487123863 WNOKQSOZZZJKDF-UHFFFAOYSA-N 438.402 4.239 5 20 IIBD CCN(Cc1ccccc1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(C)=O 487877523 JUAFMIZSIQCSSI-UHFFFAOYSA-N 438.406 4.304 5 20 IIBD COc1ccc(Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])cc1Br 488184034 YCOLNNZDZHPBEJ-UHFFFAOYSA-N 431.246 4.074 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@H](c1cccc(F)c1)c1ccccn1 488345829 LGIPJLKTKLHXSH-HXUWFJFHSA-N 428.851 4.414 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccccc2COc2ccccc2)cc1[N+](=O)[O-] 494041075 ZGUFKOHTMHFGPK-KRWDZBQOSA-N 433.464 4.298 5 20 IIBD O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 494164314 PVWNOJHQTFZBNN-IBGZPJMESA-N 429.448 4.488 5 20 IIBD O=C(Nc1cc(CC2CC2)nn1-c1ccccc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 502160904 CALOJWKMRTUPRI-UHFFFAOYSA-N 428.452 4.171 5 20 IIBD COC(=O)[C@]1(C)CN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C[C@H]1C 503206982 RSLGHPZLZORDEY-YFYZNPQRSA-N 445.903 4.059 5 20 IIBD O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 503331861 JCONUVYOOHITJZ-UHFFFAOYSA-N 433.399 4.037 5 20 IIBD CC[C@@H](C)n1c(SC[C@H](O)COc2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1 504792231 BCGVJPLSTIOWFX-CRAIPNDOSA-N 428.514 4.356 5 20 IIBD Cc1cccc(C(=O)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)c1[N+](=O)[O-] 505203586 JQVMGRRWZDTWMN-UHFFFAOYSA-N 446.301 4.157 5 20 IIBD O=C(NCCc1cc2ccccc2s1)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 506617311 UEEJBYOLIMBLEX-UHFFFAOYSA-N 425.495 4.051 5 20 IIBD Cn1cnc(-c2ccc(Br)cc2)c1NC(=O)CCc1cccc([N+](=O)[O-])c1 508365312 RTODFEBMTGYXHL-UHFFFAOYSA-N 429.274 4.329 5 20 IIBD C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 509134892 DBLHTMJISIGDOB-SNVBAGLBSA-N 427.360 4.199 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 510433491 CRSLYPVEDXOKLN-INIZCTEOSA-N 433.333 4.336 5 20 IIBD O=C(NC[C@@H](c1cccs1)N1CCCC1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 510835798 GGTRXJFGDSAWLI-AWEZNQCLSA-N 426.445 4.216 5 20 IIBD CCOc1ccc2cc(C(=O)N[C@@H](CC(=O)OC(C)C)c3ccccc3[N+](=O)[O-])[nH]c2c1 512212494 ASOYUKIJIXCWEY-IBGZPJMESA-N 439.468 4.288 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1CN1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 512560718 GKQNQARMAQXKPF-UHFFFAOYSA-N 432.908 4.387 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(Cl)c(I)c1 513030114 CWAZHFYZIAHRKZ-UHFFFAOYSA-N 444.656 4.168 5 20 IIBD CCOc1ccc(-c2nc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)sc2C)cc1 514659632 NDWPWSQPNHFHDN-UHFFFAOYSA-N 427.438 4.406 5 20 IIBD COc1ccc(CNC(=O)NCc2ccccc2CN2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] 515454400 WNBTYXJMXMRJRP-ROUUACIJSA-N 440.544 4.081 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 516022144 IXPGNBRQZMJEPM-IBGZPJMESA-N 425.485 4.203 5 20 IIBD C[S@@](=O)CCCNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 518422203 NXTCNZKTPUSMOC-QPKLKHIXSA-N 443.550 4.020 5 20 IIBD C[C@H](c1ccc(OC(F)(F)F)cc1)[S@](=O)Cc1cc([N+](=O)[O-])cc2c1OCOC2 521743538 CNDBOPKSKLOCIR-SUZVAJBCSA-N 431.388 4.370 5 20 IIBD Cc1cccc(OC[C@H](O)CNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1 522709930 CNFUELUQLHRSRZ-LJQANCHMSA-N 437.452 4.257 5 20 IIBD CCc1nc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)nn1-c1ccccc1Cl 523163468 NORXPXFLHQCAGK-UHFFFAOYSA-N 437.847 4.034 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@H](C)C[C@@H]2CCCO2)c([N+](=O)[O-])c1 523297849 SUYLSHJPGGDOPB-AEFFLSMTSA-N 433.530 4.180 5 20 IIBD CC(C)[C@@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1nc(-c2cccnc2)no1 524839125 UZZLSHCOVJRNFN-LJQANCHMSA-N 438.488 4.059 5 20 IIBD CSc1ccc(C(=O)NCc2ccccc2CN(C)Cc2ccco2)cc1[N+](=O)[O-] 525253697 INCCBMWWNODTDK-UHFFFAOYSA-N 425.510 4.472 5 20 IIBD O=C(NCC(C1CC1)C1CC1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 525731682 DNHYRHPACNNVIC-UHFFFAOYSA-N 425.451 4.382 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N(CCCO)Cc1ccc(Cl)c(Cl)c1 531769247 VHJYSNWQPRVSKZ-UHFFFAOYSA-N 449.294 4.112 5 20 IIBD O=C1c2ccccc2N[C@H](c2ccc(Br)cc2[N+](=O)[O-])N1C[C@H]1CCCO1 532263606 KCKDISODWRLGAI-ACJLOTCBSA-N 432.274 4.103 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(C)=O)ccc1Cl 534241574 FPPHDRRGLXSQDM-UHFFFAOYSA-N 436.873 4.358 5 20 IIBD CCN(CC)C(=O)c1cccc(NC(=O)COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 536469046 ZXOIJRXLRAVNDU-UHFFFAOYSA-N 439.390 4.113 5 20 IIBD Cc1nc([C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccc(Cl)cc2)no1 536553362 SQWLLPCFWWDHKD-HNNXBMFYSA-N 440.765 4.478 5 20 IIBD C[C@H](CS(C)(=O)=O)N(Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C1CC1 536674317 LZJXYFKBRQFMFZ-CQSZACIVSA-N 438.933 4.438 5 20 IIBD O=C(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)N1N=C(c2ccco2)C[C@H]1c1cccs1 537556554 UUHBFJJSXVENDT-IBGZPJMESA-N 447.476 4.491 5 20 IIBD CCOc1cc(CN(C)C2CCC2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 539837388 YGIOTJSVZNXQOZ-UHFFFAOYSA-N 428.485 4.423 5 20 IIBD CCCS(=O)(=O)Nc1cccc(NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1C 539933283 BCBMUCQLKRNCMG-UHFFFAOYSA-N 443.529 4.068 5 20 IIBD O=C(NCc1cccc(NC(=O)C2CCC2)c1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 540323255 DCWBTMIGEKJTLB-UHFFFAOYSA-N 430.464 4.325 5 20 IIBD CCCCc1oc2ccccc2c1CN(C)C(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 543015203 XMVLSUNWHSRONN-UHFFFAOYSA-N 439.468 4.289 5 20 IIBD Cn1cc(-c2nc3ccccn3c2NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cn1 543161439 MZBCHPOJQOCMSO-UHFFFAOYSA-N 442.888 4.027 5 20 IIBD C[C@H](C(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1)c1ccc([N+](=O)[O-])cc1F 543467175 CAKNKZWJMASTCD-HNNXBMFYSA-N 428.460 4.237 5 20 IIBD O=C1CCCC[C@@H]1[C@H]1COCCN1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 544806463 CUOQKYPPCRTHGH-NHCUHLMSSA-N 440.521 4.346 5 20 IIBD COc1ccccc1-c1nnc(Sc2ncc([N+](=O)[O-])cn2)n1CCc1ccccc1 544857518 PVQUKTGFLRNKCU-UHFFFAOYSA-N 434.481 4.046 5 20 IIBD Cc1ccc(-c2noc(CCOc3ccc(Cl)cc3[N+](=O)[O-])n2)c(N2CCOCC2)c1 545054039 SBZYKQKPXOBNIL-UHFFFAOYSA-N 444.875 4.065 5 20 IIBD O=C1[C@H](c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)CCN1c1ccc(Cl)cc1 545075662 LXRMJRMYUZACQC-INIZCTEOSA-N 437.843 4.224 5 20 IIBD CC(C)(C(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1)c1ccc([N+](=O)[O-])cc1F 545847452 OZLSOLZCPLRXEC-SFHVURJKSA-N 438.402 4.213 5 20 IIBD COc1ccc(-c2nc(Cc3nc(Cc4ccccc4[N+](=O)[O-])no3)cs2)cc1OC 546242580 PBLORTRXKALKAU-UHFFFAOYSA-N 438.465 4.300 5 20 IIBD CCc1cccc(CC)c1NC(=O)[C@@H](C)Sc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C 546525094 ZQYFFBQYFNENBU-CYBMUJFWSA-N 440.525 4.086 5 20 IIBD O=C(Nc1nccn1Cc1ccc(Br)cc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 546929145 ITBXQVPIKBCLGK-UHFFFAOYSA-N 440.257 4.336 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)n1 547109492 HCBQLZCKLJZLKY-UHFFFAOYSA-N 448.888 4.058 5 20 IIBD CO[C@H](C)c1nc(Cc2noc(-c3ccc([N+](=O)[O-])cc3Br)n2)cs1 547235837 CETQAIJZVYBALT-MRVPVSSYSA-N 425.264 4.162 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(C)(c3cccc(Br)c3)CC2)n1 553132478 OOUVUVJELMGCRP-UHFFFAOYSA-N 434.290 4.097 5 20 IIBD CS(=O)(=O)c1cc(CNc2ccc([N+](=O)[O-])cc2OC(F)F)cc(C(F)(F)F)c1 553251314 MYSTZFVYOJIIBJ-UHFFFAOYSA-N 440.346 4.231 5 20 IIBD COc1cc(CN2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)c([N+](=O)[O-])cc1OC(F)F 556084298 VRILAPRWEVDDIP-KMANFZQXSA-N 428.476 4.356 5 20 IIBD CCCN(C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCc2ccccc21 556515094 OLFYJLLHMGWXML-SFHVURJKSA-N 446.301 4.222 5 20 IIBD O=C(c1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1F)N1CCOCC1 559997909 JJOWZUYJTLWMAW-UHFFFAOYSA-N 425.416 4.078 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 563659466 YSZVVXICWYSXHO-UHFFFAOYSA-N 439.855 4.338 5 20 IIBD NC(=O)c1ccnc(Sc2nc(-c3cccs3)c(-c3cccs3)[nH]2)c1[N+](=O)[O-] 564559133 VMQHWYKGBKTTBN-UHFFFAOYSA-N 429.508 4.420 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCc2c(ncn2-c2ccc(F)cc2)C1 571362363 PGTJELZGGITTIZ-UHFFFAOYSA-N 446.891 4.250 5 20 IIBD O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N(Cc1ccccc1C(F)(F)F)CC1CC1 571708908 APXIQEQVSDBEEO-UHFFFAOYSA-N 445.401 4.247 5 20 IIBD Cn1cc(C(=O)NCc2ccncc2OCCC(C)(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 576663124 MQENJQNFVLZXRK-UHFFFAOYSA-N 437.500 4.135 5 20 IIBD COc1ccc(CNCc2cc(I)cc([N+](=O)[O-])c2)cc1Cl 584868285 WVSNPOSBASYTSN-UHFFFAOYSA-N 432.645 4.151 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3ccc(O[C@H]4CCOC4)cc3)n2)c(Br)c1 589133822 ROVCYWOUCXDMNZ-INIZCTEOSA-N 446.257 4.166 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN3C[C@H]4CCN(Cc5ccccc5)C[C@@H]4C3)o2)c1 589300621 RGMGKMLUNZHZLJ-FGZHOGPDSA-N 432.524 4.246 5 20 IIBD CCN(CCO)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2 603549514 PTLILJKFPBLWDP-FBMGVBCBSA-N 431.492 4.474 5 20 IIBD COc1ccc(C)cc1CNc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 603552721 APXOMSLPMXOKKZ-UHFFFAOYSA-N 427.482 4.325 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 603643445 OATCCRVLRRKCLI-UHFFFAOYSA-N 435.278 4.077 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)cc1OC 603743464 WSRXLRFCCGWMCG-UHFFFAOYSA-N 448.325 4.457 5 20 IIBD Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 603982977 XESKXBLTTRYRQG-GJZGRUSLSA-N 445.541 4.131 5 20 IIBD Cc1cc(CNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c2[nH]c(C)c(C)c2c1 608806400 GQKJPHJKKYMTPA-JOCHJYFZSA-N 448.523 4.231 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)c1 608866177 AYSDBTVMVSEOOK-AWEZNQCLSA-N 446.504 4.130 5 20 IIBD Cc1ccc(O[C@H](C)C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)c(Br)c1 609151540 YPAGTYMRGMDPNL-CYBMUJFWSA-N 445.273 4.257 5 20 IIBD O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCCc2cc(Br)cc(Cl)c21 609219024 CBNKUXLHGFPXFO-UHFFFAOYSA-N 439.649 4.332 5 20 IIBD CCc1nc([C@@H](C)NC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])cs1 609507713 JAUXOUBNBYKEFI-LLVKDONJSA-N 448.526 4.149 5 20 IIBD CCC(CC)(CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N[C@H](C)c1ccccc1 609549977 RENNKGZCNXVMNY-GOSISDBHSA-N 435.528 4.420 5 20 IIBD CCN(CC)C(=O)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 610039230 XAAGOBWPBCTFBS-UHFFFAOYSA-N 434.290 4.021 5 20 IIBD CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)C1CCN(Cc2ccccc2)CC1 610045648 SHMRXUWBDHROHN-UHFFFAOYSA-N 432.318 4.094 5 20 IIBD Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)n2)n1 610070626 PUAVGIFEFKLFST-UHFFFAOYSA-N 427.892 4.198 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@@H]2CCC(F)(F)C2)c([N+](=O)[O-])c1 610785950 IDGSVALKCSYWMB-CQSZACIVSA-N 425.457 4.410 5 20 IIBD Cc1ccccc1-c1noc(COc2ccc(I)cc2[N+](=O)[O-])n1 614071547 XXLISHRZNWFEMF-UHFFFAOYSA-N 437.193 4.137 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOc2c(Br)cccc2C1 619419376 KVXPTDUCJLCCHD-OAHLLOKOSA-N 433.302 4.347 5 20 IIBD Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2Br)c(C)c1 725985283 PUVVTCOIXZXQLO-CYBMUJFWSA-N 435.274 4.467 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C 726521487 ZGRUHSSTIAQXOA-UHFFFAOYSA-N 433.486 4.002 5 20 IIBD CCc1cc[n+](/C(C(=S)Nc2ccc(OC)nc2)=C(/O)c2cccc([N+](=O)[O-])c2)cc1 726963176 QGLSKCJYUMAWEZ-UHFFFAOYSA-O 437.501 4.172 5 20 IIBD COc1ccc(CC(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1[N+](=O)[O-] 727885332 CMBVTQKQDXMGDG-JKSUJKDBSA-N 436.464 4.108 5 20 IIBD O=C(OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 727926237 HXDFIYZCBBQQSO-CABCVRRESA-N 435.263 4.138 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N(Cc1ccc2c(c1)OCO2)c1ccc(F)cc1 729954162 ZZTZAFLHXIZBSL-UHFFFAOYSA-N 439.355 4.218 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 730376099 CTBVDSNQBFCYPR-UHFFFAOYSA-N 449.250 4.191 5 20 IIBD COC(=O)Cc1cccc(OC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c1 731554342 MLPPIFIOORIPMM-UHFFFAOYSA-N 444.490 4.446 5 20 IIBD O=C(NC1(c2ccc(Cl)cc2)CC1)c1cc([N+](=O)[O-])ccc1I 732648341 WSCRTDQZXNHLTJ-UHFFFAOYSA-N 442.640 4.272 5 20 IIBD O=C(OCc1nc(C2CC2)no1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 733395235 PPCHGJCITLTGBG-UHFFFAOYSA-N 428.832 4.478 5 20 IIBD CN1C(=O)CC[C@H](C(=O)OCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(C(F)(F)F)cc1 734389838 NFLXQLHRZKFPIL-PKOBYXMFSA-N 436.386 4.267 5 20 IIBD O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cnc(S)n1-c1ccc(F)cc1 735601273 OIIFUZGSDVFJJQ-UHFFFAOYSA-N 440.412 4.220 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1cc(-c2ccccc2Br)no1 736681025 OMUSSHYTBHTRQF-UHFFFAOYSA-N 442.229 4.001 5 20 IIBD CN(Cc1cc(Cl)cc(Cl)c1)C(=O)COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 736866089 JFIYSMRVPBEEJL-UHFFFAOYSA-N 431.659 4.370 5 20 IIBD C[C@H](Cc1ccccc1F)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 737543374 SSBQACLMTGIGIC-CQSZACIVSA-N 439.409 4.280 5 20 IIBD C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 738813367 PMBVLVDXYPZWNQ-NSHDSACASA-N 428.338 4.113 5 20 IIBD CC(C)CNC(=O)N1CCC[C@H](C(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)C1 741184152 VTIFHYXCDPRRRA-INIZCTEOSA-N 436.940 4.069 5 20 IIBD CCOC(=O)Nc1ccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 743098538 NVNRXWSZHAUGIH-UHFFFAOYSA-N 428.445 4.239 5 20 IIBD O=C(O[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 744602187 ZHCKGQBWGYBDST-SFHVURJKSA-N 445.378 4.030 5 20 IIBD O=C(COC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1)Nc1cc([N+](=O)[O-])ccc1Cl 745744515 WCHNIHXKEMFYBJ-HNNXBMFYSA-N 447.658 4.160 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 747419853 LCSWRNJCHBAGLN-UONOGXRCSA-N 434.876 4.099 5 20 IIBD CC[C@@H](OC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)c1ccc(NC(C)=O)cc1 748884718 GMYSKIVNOHSVKU-KZULUSFZSA-N 448.859 4.179 5 20 IIBD O=[N+]([O-])c1cccc([C@H](O)CSc2nnc(-c3cccs3)n2Cc2ccco2)c1 749688827 RHMOMVDOYCYPQL-MRXNPFEDSA-N 428.495 4.382 5 20 IIBD C[C@H]1CN(c2ccccc2NC(=O)c2cc([N+](=O)[O-])ccc2Br)C[C@H](C)O1 751093038 JLFZSVUXVRASAD-STQMWFEESA-N 434.290 4.223 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 751340800 WMRSFYSGFJZXRD-IAGOWNOFSA-N 439.537 4.218 5 20 IIBD COc1cc(OC)c2cc(CCCNc3ccc([N+](=O)[O-])cc3C(=O)NC3CC3)[nH]c2c1 754023360 DAQWEHOYAWHJFB-UHFFFAOYSA-N 438.484 4.030 5 20 IIBD CN(Cc1cccc(C(N)=O)c1)C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 754169035 NEYIQNOTIIHPIN-UHFFFAOYSA-N 427.526 4.248 5 20 IIBD CCOc1cc(N2CCC(OC(=O)C[C@H](C)c3c(C)noc3C)CC2)ccc1[N+](=O)[O-] 754537187 UMBKTPGPODPDEO-AWEZNQCLSA-N 431.489 4.304 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N(CCc1cccc(F)c1)C1CC1 754969634 XNOQCOZMVJRLOW-UHFFFAOYSA-N 425.229 4.483 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)Nc1ccc(SC(F)F)cc1 754985872 UFFXEXGDHIPNAQ-UHFFFAOYSA-N 434.779 4.498 5 20 IIBD O=C(NC[C@H](O)c1cccc(C(F)(F)F)c1)Nc1ccc(Br)c([N+](=O)[O-])c1 755024792 JMTMOSUDOCLROX-AWEZNQCLSA-N 448.195 4.231 5 20 IIBD C[C@H](C(=O)O[C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1F 755062374 MKAHJVWIMRUTNC-LSDHHAIUSA-N 429.448 4.008 5 20 IIBD O=C(N[C@@H](CO)C[C@@H](O)c1ccccc1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 755609906 FNPZKAFOAXINKB-WIYYLYMNSA-N 444.553 4.092 5 20 IIBD CCOC(=O)c1nc(-c2ccccc2)oc1COC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 758741405 UMMHTIBTRLWQCG-UHFFFAOYSA-N 449.419 4.194 5 20 IIBD C[C@@H](OC(=O)CCc1cccc(OC(C)(C)C)n1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 759008254 DIASPGUFAXPGGA-CYBMUJFWSA-N 449.891 4.324 5 20 IIBD CC(C)C(=O)N(C)Cc1ccc(C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 760530091 YAJCEPVOHNGYDO-UHFFFAOYSA-N 437.452 4.221 5 20 IIBD CC(C)c1[nH]nc(C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1Br 760537532 PDBSUPTUMCDYHP-UHFFFAOYSA-N 435.234 4.216 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)cc1I 760941836 SEVMIWWFQRFHEF-UHFFFAOYSA-N 445.644 4.171 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cc2ccccc2cc1OC(F)F 761510102 IKADRJFOBRWXAF-UHFFFAOYSA-N 430.363 4.453 5 20 IIBD CCC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)c1 761889804 QCSTZVGCERPOEO-UHFFFAOYSA-N 432.285 4.359 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)Nc1c(C)cccc1C 763809992 IOQXPQOJDJGPGW-HNNXBMFYSA-N 432.498 4.134 5 20 IIBD C[C@H](OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(=O)Nc1cccc2ccccc12 763869353 IMDSTRKJKHUABW-HNNXBMFYSA-N 430.420 4.118 5 20 IIBD Cc1c(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] 764162387 QNUICSIDFUCTTK-IBGZPJMESA-N 438.484 4.459 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)OC[C@H]1CCCN(C(=O)c2ccccc2)C1 764669710 ATFCZDHUXBXXAD-INIZCTEOSA-N 428.510 4.416 5 20 IIBD CCn1c(S)nnc1CNC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 767956395 OIPFMDYXYUERJT-UHFFFAOYSA-N 449.945 4.230 5 20 IIBD COc1cc(COC(=O)c2cnc(-c3ccc(OC)c(OC)c3)s2)c([N+](=O)[O-])cc1F 769418036 ISPLFOYFNWPTTJ-UHFFFAOYSA-N 448.428 4.240 5 20 IIBD O=C(COC(=O)c1cc(C(F)(F)F)ccc1Br)Nc1ccccc1[N+](=O)[O-] 770167254 NWXBSOZRSMQIQQ-UHFFFAOYSA-N 447.163 4.172 5 20 IIBD Cc1cccc(-c2nc(C)c(C(=O)OCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)[nH]2)c1 772106228 IGGHMVBEJMLEAA-UHFFFAOYSA-N 428.832 4.051 5 20 IIBD CCn1c(SCC(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)nnc1-c1ccccc1C 773992187 MNFVPHLJBHAVEB-UHFFFAOYSA-N 437.525 4.171 5 20 IIBD COCc1nc(C)c(C(=O)O[C@@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])s1 774370192 RQWGDQWQMSSMFL-HNNXBMFYSA-N 443.319 4.314 5 20 IIBD O=C(COC(=O)c1coc(-c2ccccc2Cl)n1)Nc1cc(Cl)ccc1[N+](=O)[O-] 776444982 QJUFRGNLKFPGPI-UHFFFAOYSA-N 436.207 4.352 5 20 IIBD COCCN(C(=O)/C=C\c1scnc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 776738965 GDIWRXPECFTEJG-FPLPWBNLSA-N 430.511 4.176 5 20 IIBD CCOc1c(Cl)cc(CNC(=O)c2cccc([N+](=O)[O-])c2Br)cc1OC 782167294 MSHBNEJATQKGOO-UHFFFAOYSA-N 443.681 4.348 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Br)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 782540145 ZHTXLNRCKWUDBZ-NSHDSACASA-N 447.211 4.050 5 20 IIBD C[C@H](NCc1ccc(I)c(Cl)c1)c1ccc(N)c([N+](=O)[O-])c1 788825791 ZRIQSGLRBBEXPM-VIFPVBQESA-N 431.661 4.286 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)CCN(c1cc3c(cc1[N+](=O)[O-])CCC(=O)N3)CC2 790795292 YYVAHHJNLMXKJV-UHFFFAOYSA-N 444.532 4.097 5 20 IIBD COc1ccc(C(F)(F)C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cc1 791246670 XMWOBDBXYNFFLT-UHFFFAOYSA-N 441.228 4.043 5 20 IIBD COc1cc(C(=O)OC[C@@H]2CCC(=O)N(C)[C@@H]2c2cccc(Cl)c2)cc([N+](=O)[O-])c1C 791810869 IWPGXOQOFYSGGX-YCRPNKLZSA-N 446.887 4.332 5 20 IIBD CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]2CCCC[C@H]12 792870075 HLMBYFTWGQXVQT-LGEIONFXSA-N 432.521 4.187 5 20 IIBD CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 799787377 KVLBOOUBQNAOKN-ZDUSSCGKSA-N 443.903 4.083 5 20 IIBD O=C(OCc1ccccc1)c1cccc(CNc2nc(O)c3cc([N+](=O)[O-])ccc3n2)c1 804426033 ZGVBIQQPLQTVDZ-UHFFFAOYSA-N 430.420 4.213 5 20 IIBD O=C(NC1CCCCC1)OC[C@H]1CCCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 809270640 JTRJQUDGNXHSDT-GOSISDBHSA-N 429.473 4.395 5 20 IIBD CC(C)[C@H](NC(=O)c1ccccc1)c1noc(-c2cc([N+](=O)[O-])ccc2N2CCCC2)n1 809512601 OFCQDENBRHDSED-FQEVSTJZSA-N 435.484 4.372 5 20 IIBD Cc1ccc2nc([C@@H]3CCCN3S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)[nH]c2c1 809812849 YFJZGVUYTUSVKS-HNNXBMFYSA-N 438.868 4.098 5 20 IIBD CC[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1Cl)[C@H]1CN(Cc2ccccc2)CCO1 809915662 AUHUWLVSBQUMKB-VQIMIIECSA-N 432.908 4.049 5 20 IIBD Cc1ccccc1-n1ncc2c(=O)n(Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])cnc21 809958457 XSXUYKCIWOKKEV-UHFFFAOYSA-N 430.251 4.154 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(N2CCCCC2=O)cc1 811966011 IIMYQCSISUXPIO-ZDUSSCGKSA-N 433.411 4.204 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C 812116311 CPXUQTYOSRDWQD-YJBOKZPZSA-N 425.464 4.021 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1sc(N2CCOCC2)nc1-c1ccccc1 813244261 VAGVTGCCNPLYPL-UHFFFAOYSA-N 444.900 4.461 5 20 IIBD C[C@@H](OC(=O)C1CCC(OC[C@H]2CCCO2)CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 815342989 IYCFENNDXITKNL-WLHONDITSA-N 445.472 4.003 5 20 IIBD Cc1cc(Cl)c(C(=O)OCC(=O)Cc2cccc(Br)c2)cc1[N+](=O)[O-] 815404707 UJIVTELBGBKCJW-UHFFFAOYSA-N 426.650 4.288 5 20 IIBD CN(CC(=O)NC(c1ccccc1)c1ccccc1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] 817025981 KFCXOCRFZOWGEA-UHFFFAOYSA-N 437.883 4.226 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c(F)c1 853805269 UHBUFJKSNYBJAG-MRXNPFEDSA-N 443.475 4.463 5 20 IIBD Cc1c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cnn1-c1ccc(F)cc1 914628012 JMSYWKMLUVQQGW-GFCCVEGCSA-N 446.822 4.065 5 20 IIBD COc1ccc(C(=O)O[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)c(N)c1 915410673 XAIIPGWALWYZBR-NRFANRHFSA-N 435.436 4.031 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCC([C@@H](O)c2ccccc2)CC1 915853429 YLMFSDRMENFYKR-IBGZPJMESA-N 438.402 4.122 5 20 IIBD COC(=O)Nc1ccc(NC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 915931636 CXCJRWUIXVUJMX-UHFFFAOYSA-N 441.366 4.026 5 20 IIBD CN(Cc1cnn(-c2ccccc2)n1)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 916053765 OLGYJZJFRJQVKL-UHFFFAOYSA-N 442.479 4.060 5 20 IIBD COc1ccccc1[C@H](CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)N1CCCCC1 917090580 ZLFSMFCLHYDFBN-QFIPXVFZSA-N 438.528 4.135 5 20 IIBD Cc1ccc(N(C)C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c(C)c1 917812071 JLRKDMRDOKTLLW-UHFFFAOYSA-N 440.477 4.256 5 20 IIBD O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 918027099 VRIXRTXTJMKJNX-UHFFFAOYSA-N 438.271 4.179 5 20 IIBD C[C@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 919212553 UIJDCCJNTXOENX-VIFPVBQESA-N 433.760 4.087 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@H](C)Sc1ccccc1Cl 919506321 CURGMYGXZAXLGP-NEPJUHHUSA-N 438.889 4.308 5 20 IIBD C[C@H](OC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1nc(-c2cccc(C(F)(F)F)c2)no1 919506948 AVPLNQHYSPTQKY-QMMMGPOBSA-N 440.309 4.303 5 20 IIBD O=C(NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1sc2cc(F)ccc2c1Cl 920330714 CPANTNSCVCVESK-UHFFFAOYSA-N 449.268 4.374 5 20 IIBD C[C@H](OC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc2ccccc12 920554916 VSMMXSZHIVHUGA-HNNXBMFYSA-N 444.447 4.333 5 20 IIBD CCOC(=O)c1ccc2c(c1)N(C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])CCS2 1116727892 HNMVCWSHBUOOLL-UHFFFAOYSA-N 448.522 4.255 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)nc2ccccc12 1317947337 UVQIAUDRGDONOH-UHFFFAOYSA-N 433.342 4.266 5 20 IIBD CSc1cccc(C(=O)Nc2cccc(I)c2C)c1[N+](=O)[O-] 1320565352 IUMACNMSSKPIPJ-UHFFFAOYSA-N 428.251 4.482 5 20 IIBD C[C@H](OC(=O)CCOc1cc(Cl)ccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 1321917107 FRRSAQTXTQPILP-NSHDSACASA-N 427.240 4.241 5 20 IIBD Cc1c(Cl)cccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc([N+](=O)[O-])o1 1793272005 YTNLJHLKCVWQSX-SSCFBFAFSA-N 443.887 4.115 5 20 IIBD O=C(CC1CCCC1)N1CCC([C@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1823679276 DPRPFFWVERNDJK-HSZRJFAPSA-N 441.572 4.337 5 20 IIBD CC/C=C(\C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1832519500 GWLHWSDIKLCWPN-WZOILOKLSA-N 431.508 4.324 5 20 IIBD CC(C)c1ccc(CC(=O)N2CC3(CCCN3C(=O)/C=C/c3ccccc3[N+](=O)[O-])C2)cc1 1847058741 NDUSJIYDEXZXQG-OUKQBFOZSA-N 447.535 4.178 5 20 IIBD CCCCNc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)s1 9174965 HBSSVMJZSWZPQW-UHFFFAOYSA-N 435.453 4.408 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1 9636867 ZJQINGAAUFDUSV-UHFFFAOYSA-N 427.461 4.367 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(Sc2nccn2C2CC2)c([N+](=O)[O-])c1 14322349 XNILXEFNJNNWDA-UHFFFAOYSA-N 444.538 4.493 5 20 IIBD Cc1ccc(NC(=O)CCC(=O)c2ccc(I)cc2)cc1[N+](=O)[O-] 15410157 KCHYFJNJBGWIIK-UHFFFAOYSA-N 438.221 4.109 5 20 IIBD CCc1nnc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)s1 19200087 LUTVVAHIUSURRX-UHFFFAOYSA-N 434.481 4.043 5 20 IIBD Cc1ccc([C@H](NC(=O)COC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 24997566 LKKZXTDORFWDJH-VFNWGFHPSA-N 428.510 4.195 5 20 IIBD O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)Nc1ccccc1[N+](=O)[O-] 26614636 CSWPNJHFGULEFV-UHFFFAOYSA-N 434.481 4.400 5 20 IIBD O=C(NC1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1)c1ccc(F)cc1 26714166 BHDMHVWTYGEFQG-UHFFFAOYSA-N 447.466 4.364 5 20 IIBD C[C@H]1Oc2ccc(NC(=O)CSc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2NC1=O 29993844 RCMSELHXKMWUBG-SECBINFHSA-N 441.387 4.064 5 20 IIBD COc1ccc2c(C)cc3nnc(SCC(=O)Nc4ccc([N+](=O)[O-])cc4C)n3c2c1 58152330 RBXORQFPRRQINW-UHFFFAOYSA-N 437.481 4.147 5 20 IIBD O=C(Nc1cc(Cl)ccc1-n1cncn1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 64895957 KCHZYMIAITZTLB-UHFFFAOYSA-N 426.845 4.205 5 20 IIBD O=C(Nc1cc(-c2ccoc2)nn1-c1ccccc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 65064796 BIGPWZHRQYQHHB-UHFFFAOYSA-N 440.419 4.479 5 20 IIBD O=C(Nc1ccccc1)c1ccc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 110075086 MLSHYBBVOXBJNN-UHFFFAOYSA-N 445.479 4.201 5 20 IIBD COCc1ccc([C@H]2CCCN2c2ccc(I)cc2[N+](=O)[O-])o1 302217651 JVKSPTHKGVMUMS-CQSZACIVSA-N 428.226 4.280 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1cccc(COC2CCCCC2)c1 303412128 VAYSJVPAQUHCSS-UHFFFAOYSA-N 445.903 4.466 5 20 IIBD Cc1cccc(-c2ccc(CNC(=O)CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2)c1 303681573 JESCXPNMWLOSAE-UHFFFAOYSA-N 437.883 4.270 5 20 IIBD Cc1cc(I)ccc1NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 409682449 AMUDSRIVIZVEOZ-NSHDSACASA-N 425.226 4.391 5 20 IIBD C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 410077499 UKFUSVVIDUXATA-PJIJBLCYSA-N 449.429 4.342 5 20 IIBD Cc1c(NC(=O)CCN(C)[C@H](c2ccc(Cl)cc2)c2cnccn2)cccc1[N+](=O)[O-] 426856076 JPTDEWIKEBYFFB-JOCHJYFZSA-N 439.903 4.397 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cnc(OCc2ccccc2)cn1 428317049 VPVQWDUJYVQPAR-UHFFFAOYSA-N 433.449 4.340 5 20 IIBD O=C(c1ccc(F)cc1)C1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 434360290 QFJMATRRSUIAGW-UHFFFAOYSA-N 433.867 4.234 5 20 IIBD CCN(CC1CCN(c2ccccn2)CC1)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 437055441 NUOCFJMESLJKHJ-KRWDZBQOSA-N 428.558 4.236 5 20 IIBD Cc1ccc(C)c(-n2ncc(NC(=O)COc3ccc([N+](=O)[O-])c4cccnc34)c2C)c1 438122755 BTFASUGYGRWMHU-UHFFFAOYSA-N 431.452 4.271 5 20 IIBD CC(C)N(Cc1ccc(-c2ccccc2F)s1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 439117467 JSNWSMVLMJRVCT-UHFFFAOYSA-N 429.473 4.061 5 20 IIBD Cc1ccc(CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c2ccc3nc(O)[nH]c3c2)cc1 440729969 HPDHKNTXEOJVQI-UHFFFAOYSA-N 445.479 4.155 5 20 IIBD CC(C)(C)OC(=O)CCCCCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444118233 WGRQUIGYIHVZGF-UHFFFAOYSA-N 426.488 4.452 5 20 IIBD O=C(Cc1noc(Cn2ccc3cc([N+](=O)[O-])ccc32)n1)Nc1cc(Cl)ccc1Cl 445332917 PUVXBXDYXUHKET-UHFFFAOYSA-N 446.250 4.469 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(-c3cc(Br)cc(C(F)(F)F)c3)n2)n1C 445623009 GVYSWLBRZRMHNX-UHFFFAOYSA-N 432.156 4.135 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC(C(F)(F)F)(C(F)(F)F)C1 446185612 XIHRQEQZHGCGQD-UHFFFAOYSA-N 449.145 4.243 5 20 IIBD CCC[C@H](C)N(C(=O)c1cc(OC)ccc1[N+](=O)[O-])c1nc(C)c(C(=O)OCC)s1 460124829 MNDUMVNVRSNWBK-LBPRGKRZSA-N 435.502 4.380 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(-c3nc(-c4ccccc4I)no3)c2c1 460732343 QOTSPBISTOXCPH-UHFFFAOYSA-N 432.177 4.398 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N(C)CC[C@H]2CCCCN2C)cc1[N+](=O)[O-])c1ccccn1 461267165 YSOQABMZYXIXBP-IEBWSBKVSA-N 425.533 4.109 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)CCc1ccccc1Br 462101726 KCNSCEIDJUJOKC-UHFFFAOYSA-N 441.347 4.140 5 20 IIBD Cc1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)s1 463682908 UCFVGENOXPWNGA-UHFFFAOYSA-N 443.506 4.497 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3c(c2)nc2n3CCCCC2)c2ncccc12 464408402 IKWLWTNDFZFMLM-UHFFFAOYSA-N 437.481 4.020 5 20 IIBD O=C(NCc1ccccc1)[C@@H](c1ccccc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464782145 VIZCWIOIINIKIP-RUZDIDTESA-N 445.519 4.496 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2ccccc12)N1CCC[C@H]1c1ccc2c(c1)OCCO2 464803424 XZEAJGWQAYOMCX-IBGZPJMESA-N 434.448 4.262 5 20 IIBD CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)O[C@@H](C)C2 466287320 MMUFGBUGPPHNAU-IWEFOYFVSA-N 430.888 4.390 5 20 IIBD CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])cc2)cc1 466295417 GHRKAEVNOZSISB-UHFFFAOYSA-N 430.413 4.182 5 20 IIBD COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 466960230 SYLSRSWXWKORHN-UHFFFAOYSA-N 447.494 4.026 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N2CC[C@@H](OCC(C)C)C2)cc1[N+](=O)[O-] 469238823 JWTIWQGTFXOQLA-QGZVFWFLSA-N 442.537 4.435 5 20 IIBD C[C@H](CC[S@](C)=O)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 469328884 JFSCYVULULDOPO-MUDIAHQHSA-N 426.947 4.286 5 20 IIBD Nc1c([N+](=O)[O-])ccc(NCc2ccccc2CN2CCN(c3ccccc3)CC2)c1F 471247457 RNTJRLGGAMUNBU-UHFFFAOYSA-N 435.503 4.250 5 20 IIBD CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 474438561 JIQKHWWQZDOHCV-INIZCTEOSA-N 429.496 4.067 5 20 IIBD CC[C@@H](C)NC(=O)c1cccc(CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 475204018 IODOJZMUMYOEQX-GFCCVEGCSA-N 438.406 4.464 5 20 IIBD Cc1nc(NC(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)ccc1[N+](=O)[O-] 475294190 CIOXSYDIJYZYDB-UHFFFAOYSA-N 430.262 4.116 5 20 IIBD COc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)cc1NC(=O)c1cccc(F)c1 477333407 XSZFMGJQMDSUDU-UHFFFAOYSA-N 441.390 4.315 5 20 IIBD Cc1ccc(I)cc1NC(=O)CSc1ccccc1[N+](=O)[O-] 478654990 QSGXLISTTOMMJF-UHFFFAOYSA-N 428.251 4.239 5 20 IIBD CCOc1cc(Br)ccc1NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 479208631 KMDJONYOEMHJKP-UHFFFAOYSA-N 445.273 4.409 5 20 IIBD CC(C)(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)C(F)(F)F 479304147 COURPQGDBKLXCU-NSHDSACASA-N 444.191 4.296 5 20 IIBD COCCSc1ccc([C@@H](C)NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1 479810261 YVNIJFOIQOOPRU-OAHLLOKOSA-N 426.498 4.010 5 20 IIBD CCn1c(SCC(=O)N[C@@H](c2ccccc2)C(C)C)nnc1-c1ccc([N+](=O)[O-])cc1 481334464 ADSVEAAFBDRQJI-HXUWFJFHSA-N 439.541 4.479 5 20 IIBD C[C@@H](C(=O)OC(C)(C)C)c1noc(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 482591750 LNYJMTAFFREQQV-SNVBAGLBSA-N 430.383 4.096 5 20 IIBD CC(C)[C@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])C(=O)OC(C)(C)C 486303310 ICZCOYLTUGPPFB-FQEVSTJZSA-N 428.485 4.270 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@H](C)c2cccnc2)CC1 486773339 SNHUYHDARLFPHC-QGZVFWFLSA-N 428.558 4.257 5 20 IIBD Cc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 491381764 PSXKXOYQXWTBGV-MRXNPFEDSA-N 435.427 4.347 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] 493001594 FNQGQQQZZPLMDS-TZMCWYRMSA-N 442.299 4.010 5 20 IIBD O=C(N[C@H]1CCCc2c[nH]nc21)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 493837296 CRYRSZLBHLPVMW-IBGZPJMESA-N 425.876 4.391 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)c(=O)n(C)c1 494411332 BHDHBYXNACBRJD-UHFFFAOYSA-N 426.860 4.120 5 20 IIBD O=C(N[C@H]1CCOc2c(-c3ccccc3)cccc21)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 494887428 TXBHDUAJXOJSAF-NRFANRHFSA-N 447.495 4.329 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@H]1CC(=O)c1ccco1 495370697 OIMWLWATIQZJCI-INIZCTEOSA-N 432.498 4.050 5 20 IIBD COc1cc(C(=O)NC2(c3nc(C)cs3)CCCC2)c([N+](=O)[O-])cc1OC(F)F 496281461 FWPWALFZYOEMBD-UHFFFAOYSA-N 427.429 4.169 5 20 IIBD CN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCN(Cc2ccccc2)CC1 499518375 IIMOTNRTTQMNFN-UHFFFAOYSA-N 436.537 4.455 5 20 IIBD CCOc1cc(C(=O)N[C@@H](C)COc2ccccc2C(F)(F)F)c([N+](=O)[O-])cc1OC 500594274 ZMZKFBXSPGCQKM-LBPRGKRZSA-N 442.390 4.218 5 20 IIBD C[C@H]1[C@@H](c2ccc(Br)cc2)OCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] 501055246 ANGCGPCFAWTQEE-XOBRGWDASA-N 448.317 4.148 5 20 IIBD COCCCOc1cccc(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 501918377 HHFAJDIJCLAZOW-UHFFFAOYSA-N 427.482 4.064 5 20 IIBD C[C@H](NC(=O)[C@](N)(c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccccc1[N+](=O)[O-] 503964929 QVKMSESNYVXCSB-MGPLVRAMSA-N 435.324 4.207 5 20 IIBD COc1ccc(/C=C2\CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)c(Br)c1 504743780 XXYSVOKIMXLBKH-XYOKQWHBSA-N 428.242 4.020 5 20 IIBD CCCc1csc(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)n1 509288870 RTYWVOJBYVPTDQ-UHFFFAOYSA-N 431.255 4.169 5 20 IIBD COc1ccc(S(=O)(=O)N[C@@H]2CCOc3c(-c4ccccc4)cccc32)c([N+](=O)[O-])c1 509639527 URORHWWHIVQWHY-LJQANCHMSA-N 440.477 4.073 5 20 IIBD O=C(c1ccsc1)N1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 510461238 PIDSUOIQWIJZCR-UHFFFAOYSA-N 428.539 4.128 5 20 IIBD Cc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3I)cc2s1 511501071 XQGUBJXBRKMNIO-UHFFFAOYSA-N 439.234 4.370 5 20 IIBD NC(=O)C[C@@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccccc1 512265203 OWQVPHHREBFRNC-GOSISDBHSA-N 439.855 4.387 5 20 IIBD CCN(C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)c1ccc(C(F)(F)F)cc1 512473223 DHFARTCPSLWOKJ-UHFFFAOYSA-N 446.385 4.135 5 20 IIBD O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 513585504 GOIKDLDPSIZLAK-UHFFFAOYSA-N 431.370 4.229 5 20 IIBD COc1cc(CN2CC[C@H](N3CCCCC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 513745673 DMIGDLJJPMCFOU-QFIPXVFZSA-N 425.529 4.243 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 516022147 IXPGNBRQZMJEPM-LJQANCHMSA-N 425.485 4.203 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCCOc2cccc(Cl)c2Cl)cc1OC 516652289 LYXKBUMUJFGTGS-UHFFFAOYSA-N 429.256 4.118 5 20 IIBD C[C@H](NC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1)c1cccc([N+](=O)[O-])c1 517809804 VDACPDDJVKAYOY-SCLBCKFNSA-N 434.290 4.201 5 20 IIBD C[C@H](NC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1)c1cccc([N+](=O)[O-])c1 518478326 YDTUPSUNFXEZPB-LSDHHAIUSA-N 447.333 4.244 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1 519016380 PTRKECXCCVBJIR-GOSISDBHSA-N 445.884 4.163 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2cccc(CN3CCOCC3)c2)no1 521046844 STIBYQVCYWXOET-CQSZACIVSA-N 444.875 4.270 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc(COc2ccc(Br)cc2)o1 522239417 HKUGIFWOOVOQPT-UHFFFAOYSA-N 431.242 4.459 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCC(c4nncn4C4CC4)CC3)c([N+](=O)[O-])c2)cc1 522871250 GHYKYYYOUVRYGV-UHFFFAOYSA-N 446.511 4.466 5 20 IIBD COC(=O)c1cc(OCc2ncc(-c3ccccc3Br)o2)ccc1[N+](=O)[O-] 525116916 WFIOJIOTYOPFOH-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD Cc1nc(-c2ccc(Br)cc2)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)n1C 525555354 PDMSNUYLGISIKV-UHFFFAOYSA-N 429.274 4.247 5 20 IIBD Cc1ccc(C(=O)N[C@@H](C)c2ccccc2NS(=O)(=O)c2cccs2)cc1[N+](=O)[O-] 533150760 NYNVGMUUKZPOIB-AWEZNQCLSA-N 445.522 4.257 5 20 IIBD O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)c1nc(-c2cccs2)n(-c2ccccc2)n1 534745060 HVGFLSBWANIUKC-UHFFFAOYSA-N 431.437 4.033 5 20 IIBD O=C(Nc1cccc(OC(F)F)c1)c1cc(I)cc([N+](=O)[O-])c1 536554878 LUQSZUXCPOBBGP-UHFFFAOYSA-N 434.136 4.053 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)c1 537320134 BDQOECDADFHLJK-SFHVURJKSA-N 441.532 4.244 5 20 IIBD CS(=O)(=O)c1cc(C(=O)Nc2ccc(Br)c3ccccc23)cc([N+](=O)[O-])c1 537997269 GREKRVRMZNEBJT-UHFFFAOYSA-N 449.282 4.166 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccc(F)cc3OCC(F)F)cc2)c(C)c1[N+](=O)[O-] 539096260 CTQJKFAGHLQLEK-UHFFFAOYSA-N 448.401 4.492 5 20 IIBD O=C(NCC(c1ccccc1)c1ccccc1)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 539383429 NBLDOECYMQBXII-UHFFFAOYSA-N 445.504 4.426 5 20 IIBD CC[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1)Oc1ccccc1Cl 539489586 NVZXFYJWRFPUSN-ZDUSSCGKSA-N 447.904 4.105 5 20 IIBD O=C(CCCc1ccc2ccccc2c1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 540506493 LVUKTMXNHPPSLF-UHFFFAOYSA-N 437.521 4.117 5 20 IIBD CCCN(C(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)[C@@H](C)c1cc2ccccc2o1 542068892 UKZOVQVDRAVNJU-AWEZNQCLSA-N 425.441 4.288 5 20 IIBD C[C@@H](O)[C@H]1CCN(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)C1 542419067 RDSPTUWMRDABFH-OCCSQVGLSA-N 437.855 4.092 5 20 IIBD C[C@H]1C[C@@H](c2cccnc2)N(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 542527923 YPROMNLXHYOJDH-GUYCJALGSA-N 437.422 4.213 5 20 IIBD O=[N+]([O-])c1ccc(-n2ccc(-c3nc(CCc4ccc(OC(F)F)cc4)no3)n2)cc1 546459648 XVBIFTZPGWVBMP-UHFFFAOYSA-N 427.367 4.217 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccnc(OCC(F)F)c2)no1 547258883 UZLIFRZNQBJADZ-VIFPVBQESA-N 426.763 4.477 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3ccc(OCC(F)F)nc3)no2)c(Br)c1 547265467 OCAHXCYQDTUEOV-UHFFFAOYSA-N 427.161 4.113 5 20 IIBD CO[C@@H](c1ccccc1Cl)[C@H](C)NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 551474433 HKBLVMSEGNJOCU-ORAYPTAESA-N 447.919 4.377 5 20 IIBD COc1ccc2oc([C@@H](C)NC(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c(C)c2c1 553127435 VCQVBXPGIZKYMU-LLVKDONJSA-N 431.832 4.127 5 20 IIBD Cc1cc(Br)ccc1CS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 554250561 HCLJSKJQMHQVCG-UHFFFAOYSA-N 449.120 4.402 5 20 IIBD CCOC(=O)[C@@H](c1ccc(Cl)cc1Cl)N(C(=O)c1cc([N+](=O)[O-])cn1C)C1CC1 555630544 WQWAIEUNJHBKSH-QGZVFWFLSA-N 440.283 4.149 5 20 IIBD COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1 555930441 NGMZYQIWVHHTKS-XIKOKIGWSA-N 437.290 4.180 5 20 IIBD CC[C@@H](CN(CC)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccccc1 556540132 YODRFZDASRZVLP-AWEZNQCLSA-N 448.317 4.338 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(O)c1)N(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 557449062 PEKPAJKNKKOORN-JOCHJYFZSA-N 446.507 4.002 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cc(F)c(Br)c(Cl)c1 557723009 AQDXZWOIHPCNKP-LLVKDONJSA-N 448.680 4.021 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N1CCc2ccc(Br)cc2C1 565730760 TXTKULYPUFNLBB-UHFFFAOYSA-N 446.120 4.380 5 20 IIBD O=C(c1cc(N2CCc3cc(Br)cc(F)c3C2)ccc1[N+](=O)[O-])N1CCCC1 571749161 NZPJQCKNAPFAMR-UHFFFAOYSA-N 448.292 4.295 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2c2nc(Cc3c(F)cccc3F)no2)ccc1[N+](=O)[O-] 572642474 GQIZABAMXUQGEH-GOSISDBHSA-N 428.395 4.133 5 20 IIBD O=C(N[C@@H]1c2ccccc2CC12CCOCC2)C1CCN(c2ccccc2[N+](=O)[O-])CC1 572773369 MUTRJSCBJROGCN-HSZRJFAPSA-N 435.524 4.022 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CC(Cc3cccc(C(F)(F)F)c3)C2)cc1OC 590421927 FACVLVHJAGQBKA-UHFFFAOYSA-N 438.402 4.336 5 20 IIBD CC1CCN([C@@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c2cccs2)CC1 603263954 UOXAGIMCHVSRNM-NRFANRHFSA-N 442.585 4.460 5 20 IIBD C[C@H]1CCc2c(sc3nc(CCC(=O)N(C)Cc4ccccc4[N+](=O)[O-])nc(O)c23)C1 603575489 INDMHNQRYFPGFK-ZDUSSCGKSA-N 440.525 4.021 5 20 IIBD CN(C)Cc1ccc(-c2ccccc2CNC(=O)NCCNc2ccccc2[N+](=O)[O-])cc1 603748687 PADZWTUHVIRQKO-UHFFFAOYSA-N 447.539 4.235 5 20 IIBD O=C1c2ccccc2N[C@H](c2cc3c(cc2[N+](=O)[O-])OCCO3)N1CCc1ccccc1 604435111 XCBWOOSYOAWUFY-QHCPKHFHSA-N 431.448 4.175 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N2c3ccccc3CC[C@@H]2C(=O)Nc2ccccc2)c1 608872367 NALULDPZUZWEDG-JOCHJYFZSA-N 431.448 4.204 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCc3c(Br)cccc32)cc1OC 609022336 DVUKMOOVYYIHJS-OAHLLOKOSA-N 435.274 4.182 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(NC(=O)NCc3ccncc3)c2)c1 609026490 GJCLZUAOTHJLNP-UHFFFAOYSA-N 437.481 4.286 5 20 IIBD CCOc1cc(NC(=O)NCc2ccc(Br)cc2)c([N+](=O)[O-])cc1OCC 609296334 LHKCDWCQSLNDSN-UHFFFAOYSA-N 438.278 4.476 5 20 IIBD COC(=O)c1ccc2c(c1)CN(C(=O)c1ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c1)C2 609301424 AJNHSOGWKXBCKK-HOTGVXAUSA-N 437.496 4.020 5 20 IIBD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccnn3-c3ccc([N+](=O)[O-])cc3)ccc21 609453568 OWOIKDUOLLBFDE-UHFFFAOYSA-N 433.468 4.251 5 20 IIBD CCCOc1cc(NC(=O)CN2C(=O)CCc3ccccc32)c([N+](=O)[O-])cc1OCCC 609498070 NNFANRGGATURBR-UHFFFAOYSA-N 441.484 4.090 5 20 IIBD Cc1cccc(COc2cccc(NC(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)c2)c1 609508332 IUSXPPKTVZAVLG-UHFFFAOYSA-N 433.420 4.029 5 20 IIBD CC[C@@H]1CN(c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])C[C@@H](C)O1 609513269 ZRIXZFFOTNYEHG-IAGOWNOFSA-N 433.530 4.016 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(NC(=O)NCc2ccncc2)c1 609793064 JYAFGOUUANRLQV-UHFFFAOYSA-N 439.859 4.146 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1 609852496 CPSQFVIQHXOHSB-UHFFFAOYSA-N 446.312 4.184 5 20 IIBD CC[C@H]1c2ccsc2CCN1C(=O)COc1ccc([N+](=O)[O-])cc1Br 609961763 DTOKJMGPRVCRNP-AWEZNQCLSA-N 425.304 4.334 5 20 IIBD Cc1ccc(NCCCNC(=O)N2CCC(OCc3ccccc3F)CC2)c([N+](=O)[O-])c1 611263015 VRSOWEHEWDHFDH-UHFFFAOYSA-N 444.507 4.235 5 20 IIBD CC(=O)N(c1ccccc1)c1nc(COC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cs1 725935581 PYACQTVWMDWQRO-UHFFFAOYSA-N 433.392 4.371 5 20 IIBD O=C(OCc1nc(-c2cccc(C(F)(F)F)c2)no1)c1cc(F)c(F)cc1[N+](=O)[O-] 725936550 FXFZTKZHVCIRFC-UHFFFAOYSA-N 429.257 4.299 5 20 IIBD C[C@@H](OC(=O)c1cnc(Cc2ccc(F)cc2)s1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 727216458 KCESXQKCTHZEHD-LLVKDONJSA-N 447.419 4.104 5 20 IIBD COc1ccccc1[C@@H]1CCCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] 727826877 HRRRPKTYDYRNMX-AWEZNQCLSA-N 430.404 4.238 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCc1cccc(NC(=O)Nc2ccccc2)c1 727854461 FWOKOPRFJYMDDN-UHFFFAOYSA-N 438.415 4.073 5 20 IIBD C[C@H](c1ccccc1)c1ccc(OC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 729114047 NSWAAABVDVONRZ-QGZVFWFLSA-N 433.464 4.151 5 20 IIBD C[C@@H](OC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 729779201 DZTVTMQHQKGTAV-MRXNPFEDSA-N 447.447 4.055 5 20 IIBD Cc1ccc(SCCC(=O)OC[C@@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])cc1 730705707 ZEKBTHWQFDXWGO-KRWDZBQOSA-N 428.510 4.233 5 20 IIBD COc1ccc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c(Cl)c1 731088512 UKVRCFYVVSKNNW-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD CC(=O)N(c1nc(COC(=O)c2ccc([N+](=O)[O-])c(F)c2)cs1)c1ccccc1F 731516829 KDEYMIVDEOSVDP-UHFFFAOYSA-N 433.392 4.371 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3[C@@H](C)[C@H](c4ccccc4)OC[C@H]3C)cc2)c(C)c1[N+](=O)[O-] 732016753 FVBNKJBAIGXSIZ-LNZPYGSCSA-N 448.523 4.447 5 20 IIBD Cc1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1NC(=O)C(C)(C)C 732437700 ZCZWRTNALBJANR-UHFFFAOYSA-N 439.516 4.242 5 20 IIBD CC(C)[C@@H]1CCCN(C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 734107835 CGGSTMXKVXZSJZ-QGZVFWFLSA-N 446.525 4.261 5 20 IIBD O=C(NC1(c2cccc(Cl)c2)CC1)c1cc([N+](=O)[O-])ccc1I 740810694 UKMKJQKRMDABEJ-UHFFFAOYSA-N 442.640 4.272 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@H](O)c3c(F)cccc3Cl)cc2[N+](=O)[O-])C1 741295431 GGDBOFXPZSXBGN-MNVSYLFESA-N 449.910 4.333 5 20 IIBD CCN(CC)C(=O)c1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 741598540 BCJUPFANYMVHOT-UHFFFAOYSA-N 425.485 4.286 5 20 IIBD O=c1ccc2cc(S(=O)(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc3)ccc2o1 743342217 GVHDKXZGNMATBD-UHFFFAOYSA-N 436.445 4.097 5 20 IIBD CC(C)(C)c1ncc(/C=C/C(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)s1 744089753 ADIFNJVHVKLJKS-FNORWQNLSA-N 430.530 4.217 5 20 IIBD Cc1sc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Br)c(C)c1C 744915067 JBQMNNSSSPYXRS-UHFFFAOYSA-N 427.276 4.140 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)c1 745385485 CRQIHLBKCIVQRG-KRWDZBQOSA-N 439.449 4.092 5 20 IIBD CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCc1cc(Cl)ccc1[N+](=O)[O-] 746388661 FFKAWFWTHZWZOP-UHFFFAOYSA-N 446.803 4.098 5 20 IIBD O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1CCC[C@H](c2nc3ccccc3s2)C1 747076403 UXLSIFKOWNBMMM-KRWDZBQOSA-N 447.520 4.265 5 20 IIBD Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 747635713 YHIGGJWUHBPQNP-RXVVDRJESA-N 434.521 4.475 5 20 IIBD CCN(CC)[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1ccco1 749421135 WDLIXSVNCQLKKB-AWEZNQCLSA-N 444.713 4.417 5 20 IIBD Cc1c(C(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 749518907 LVPHQYBNHFMSRG-UHFFFAOYSA-N 440.387 4.376 5 20 IIBD O=C(CCn1ccc2ccccc21)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 750583168 OFWSBPIRSZFTIE-UHFFFAOYSA-N 428.286 4.287 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)cc1[N+](=O)[O-] 753066863 WTXBKNJGTSLMFN-UHFFFAOYSA-N 446.312 4.149 5 20 IIBD CC1(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCN(C(=O)OC(C)(C)C)CC1 753360688 MMJVTEXESWJIOK-UHFFFAOYSA-N 446.548 4.306 5 20 IIBD CC[C@H]1c2ccsc2CCN1C(=O)COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F 754991259 XMLTXPTVEVDDLT-AWEZNQCLSA-N 426.853 4.142 5 20 IIBD Cc1sc2ncn(NC(=O)CCc3cccc([N+](=O)[O-])c3)c(=O)c2c1-c1ccccc1 755099131 PZIWFLIVQNABAY-UHFFFAOYSA-N 434.477 4.045 5 20 IIBD Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)Cc1ccc([N+](=O)[O-])cc1Br 755143078 UEPXTRPPPCBYOG-PXNSSMCTSA-N 444.329 4.043 5 20 IIBD CCOc1cc(COC(=O)[C@H](C)NC(=O)c2cccc(Cl)c2Cl)ccc1[N+](=O)[O-] 755535861 GUGKGXUSLXTHPZ-NSHDSACASA-N 441.267 4.162 5 20 IIBD Cn1ccc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)c2ccc(Cl)cc2)n1 759153824 MFIRWIUEPYZMRX-QGZVFWFLSA-N 449.692 4.264 5 20 IIBD CCCc1c(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cnn1-c1ccc(F)cc1 759460472 DBRRXMNUMQQTQJ-NRFANRHFSA-N 437.431 4.004 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)c1F 760362476 IYEISJCOEIRFOA-CQSZACIVSA-N 433.461 4.138 5 20 IIBD O=C(N[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2OC(F)F)C1)c1cc2ccccc2o1 760559078 DLOCRLUQAFIOGT-CQSZACIVSA-N 431.395 4.341 5 20 IIBD CC(=O)Nc1cc(C(=O)O[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc(C(F)(F)F)c1 761282817 KMQIHXUVSZRVJD-HOTGVXAUSA-N 440.378 4.109 5 20 IIBD C[C@@H](C(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 761482932 CKHBZWRVFDFVRD-CQSZACIVSA-N 433.420 4.318 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2SCCO)cc1)c1cccs1 765464630 CPOPHYQADSXZEZ-UHFFFAOYSA-N 444.490 4.212 5 20 IIBD COc1cc(COC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)c([N+](=O)[O-])cc1F 766182946 VGRWALXKXHJMTR-UHFFFAOYSA-N 435.795 4.122 5 20 IIBD CCOC(=O)C[C@H](OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(F)c(F)c1 766951295 NEZNASYEACKUKP-IBGZPJMESA-N 432.379 4.135 5 20 IIBD CC[C@H](C)S(=O)(=O)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 768024800 DMWANBOXWIDGQH-NSHDSACASA-N 428.919 4.258 5 20 IIBD O=[N+]([O-])c1cccc(Br)c1CN1CCC(n2cc(Br)cn2)CC1 769400650 ZIXPZEIYZFIBPI-UHFFFAOYSA-N 444.127 4.153 5 20 IIBD C[C@@H](OC(=O)c1cc(Br)ncc1[N+](=O)[O-])C(=O)Nc1ccc2ccccc2c1 769830602 BPJGMVLTTISFJY-LLVKDONJSA-N 444.241 4.090 5 20 IIBD O=C(NCc1ncccn1)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 770050573 FJRRFVIWIGEHBO-UHFFFAOYSA-N 434.399 4.485 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCSCc1ccnc(Cl)c1 771488778 MISIREQRXYOMCT-UHFFFAOYSA-N 437.952 4.253 5 20 IIBD Cn1c(C(C)(C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)nc2ccccc21 771503409 FRBCEWXFPOOQNC-UHFFFAOYSA-N 435.253 4.048 5 20 IIBD Cc1cc2nc(C)c(CCC(=O)O[C@H](c3cccnc3)c3ccccc3[N+](=O)[O-])c(C)n2n1 776217727 KSMCHTWVMNXWDX-XMMPIXPASA-N 445.479 4.223 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)cc1[N+](=O)[O-] 776751708 FQDHBTZWLMLJTM-UHFFFAOYSA-N 428.401 4.046 5 20 IIBD Cc1ccsc1C(=O)Nc1ccc(OC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cc1 778705532 VWCUESWKAVAGGQ-UHFFFAOYSA-N 426.406 4.165 5 20 IIBD CC(C)N(C(=O)[C@@H](C)OC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C(C)C 781258571 UXACGLKLZGVKPQ-CYBMUJFWSA-N 430.451 4.150 5 20 IIBD O=C(Nc1c(-c2cccs2)nc2ccccn12)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781641414 RBWVZQCIEMFMCU-MRXNPFEDSA-N 433.449 4.103 5 20 IIBD O=C(OCc1ncc(-c2cccc(Cl)c2)o1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781651677 RCRWYAQKTXFPLF-KRWDZBQOSA-N 427.800 4.140 5 20 IIBD O=C(CCN1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1)Nc1cc([N+](=O)[O-])ccc1F 782512817 XCEPANVQXIXLDG-XXBNENTESA-N 440.519 4.049 5 20 IIBD C[C@@H](Nc1ccc(C(=O)OCc2nnc(C3CC3)n2C2CC2)cc1[N+](=O)[O-])c1ccccn1 783128891 FPYUZWFPPZQHGG-CQSZACIVSA-N 448.483 4.324 5 20 IIBD CCN(C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](Cc1ccc(F)cc1)C(C)C 785074402 QYJLWQKCBSIJSD-SFHVURJKSA-N 435.883 4.442 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)O[C@@H](C)c2ccncc2)cc1 785516210 XVEPEXBOYAZXMS-HNNXBMFYSA-N 441.465 4.017 5 20 IIBD Cc1cnc(COC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)c(C)c1[N+](=O)[O-] 789441664 YEKKPQVXYSWLNV-UHFFFAOYSA-N 431.452 4.221 5 20 IIBD CN(CCC1CCN(c2ccncc2)CC1)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790557115 AGWRTJXXLLVGNY-UHFFFAOYSA-N 434.899 4.090 5 20 IIBD CN(Cc1ccccc1)CC1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 790629099 DHTUNFKFHYOUSX-UHFFFAOYSA-N 433.911 4.300 5 20 IIBD C[C@@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)c1ccc(N2CCCNC2=O)cc1 794930830 UBCIXBVGYFFNCW-GFCCVEGCSA-N 436.390 4.024 5 20 IIBD O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CC[C@H](c2ccccn2)C1 798714709 QYTMPUYMGDZZGS-INIZCTEOSA-N 448.445 4.241 5 20 IIBD Cc1nn(CN2CCC(c3cccc(Br)c3)CC2)c2ncc([N+](=O)[O-])cc12 799165933 SDCIUACWKZOMSY-UHFFFAOYSA-N 430.306 4.248 5 20 IIBD COCc1nc(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c(-c2ccccc2)s1 799595497 KYWKZAVAQNZFOZ-CYBMUJFWSA-N 441.465 4.049 5 20 IIBD C[C@@](O)(CCc1ccccc1)C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 801112300 HYEILJLEHYTOHZ-XMMPIXPASA-N 434.448 4.136 5 20 IIBD COc1cc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)ccc1OCc1ccccc1 801826812 RMYUYRLRXXFTDK-CQSZACIVSA-N 439.443 4.395 5 20 IIBD CCN(C)C(=O)CSc1ccc([C@@H](C)OC(=O)Cc2cccc([N+](=O)[O-])c2C)cc1 809075492 JUJBYWZDVIBCLR-MRXNPFEDSA-N 430.526 4.321 5 20 IIBD CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc21 810053678 SYIQDWDWQVPKIT-UHFFFAOYSA-N 446.891 4.448 5 20 IIBD Cc1cc2oc(=O)cc(CN3CCN(C(=O)c4ccccc4[N+](=O)[O-])CC3)c2cc1C(C)C 815265883 WYMRYCAHIZSMCQ-UHFFFAOYSA-N 449.507 4.091 5 20 IIBD COC(=O)CC1CC(OC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 816263521 MRPKEOFEVYSRJV-UHFFFAOYSA-N 443.477 4.046 5 20 IIBD CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F 825487972 MHFGBUBHAJKZFT-YWEYLZEPSA-N 435.471 4.169 5 20 IIBD O=C(Nc1ccccc1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccs1 875256938 NCKDLKUJYDLDFH-UHFFFAOYSA-N 440.433 4.132 5 20 IIBD Cc1cc(C(=O)NCc2nc(-c3ccccc3OCc3ccccc3)no2)ccc1[N+](=O)[O-] 904463349 IJMJWUAYCQDEBZ-UHFFFAOYSA-N 444.447 4.462 5 20 IIBD COc1cc(-c2noc(-c3ccc(Sc4nc(C)cs4)c([N+](=O)[O-])c3)n2)ncn1 904780553 XRIUDOVSZKGWQY-UHFFFAOYSA-N 428.455 4.027 5 20 IIBD O=C(COC(=O)c1cc(Cl)ccc1Br)Nc1ccc([N+](=O)[O-])cc1Cl 913344531 WQUASNDPRVBTLJ-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 914798005 LLAGHVZDXXPKHB-UHFFFAOYSA-N 440.412 4.349 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccccc1C(=O)c1ccc(F)cc1 914882947 UZMFOJCHPWEZKW-UHFFFAOYSA-N 447.378 4.372 5 20 IIBD COc1ccc(C(=O)O[C@@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)cc1[N+](=O)[O-] 915371988 VKNOVCIKYZAFQM-QGZVFWFLSA-N 440.374 4.442 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1Br 917841019 SFHDIOCDADDHDQ-UHFFFAOYSA-N 439.331 4.001 5 20 IIBD C/C=C\c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c(OC)c1 917849321 PNXMBGJLKZFWHC-ARJAWSKDSA-N 428.260 4.167 5 20 IIBD C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)c1cccc([N+](=O)[O-])c1 918135434 GZBNNAWSPGUVIQ-WZONZLPQSA-N 447.491 4.310 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Oc1ccc2cc(Br)ccc2c1 918187616 FXSCSGOUDXZOEH-UHFFFAOYSA-N 426.219 4.417 5 20 IIBD O=C(Cn1ccc([N+](=O)[O-])n1)O[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 919379817 NXLAUFNOQJJCID-GOSISDBHSA-N 449.250 4.021 5 20 IIBD O=C(c1scnc1Cl)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 919750555 RUJCDCKQGLSIRX-UHFFFAOYSA-N 448.957 4.391 5 20 IIBD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c2c(C(C)C)noc2n1 920896298 MWLNFQUCCOFLHU-CYBMUJFWSA-N 426.429 4.055 5 20 IIBD Cc1cc(CN2CCCN(C(=O)c3ccc(SCCC(C)C)c([N+](=O)[O-])c3)CC2)no1 1318112773 CINNAFYZFVXTLK-UHFFFAOYSA-N 446.573 4.378 5 20 IIBD CC(C)(C)OC(=O)N[C@H](c1ccccc1)c1noc(COc2ccc([N+](=O)[O-])c(F)c2)n1 1318584693 IBNSMTIYNYQMQQ-GOSISDBHSA-N 444.419 4.310 5 20 IIBD CCc1nc(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)nn1-c1c(Cl)cccc1Cl 1319201967 BIZPPPNAJMGLBF-UHFFFAOYSA-N 432.267 4.201 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1319831522 ZOQFXLDUIKJMNT-OAHLLOKOSA-N 440.525 4.229 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)N(CC(F)(F)F)c1ccc(Cl)cc1 1324103833 RUTGHLKOCFUHET-UHFFFAOYSA-N 439.777 4.159 5 20 IIBD O=C(Nc1cnn(Cc2cccnc2)c1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 1326642094 GPQFLSIRFMPKCU-UHFFFAOYSA-N 429.436 4.066 5 20 IIBD O=C(c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC[C@H]2CCCC[C@H]2C1 1337821316 WTFUQCSNWKOHBX-SJORKVTESA-N 443.525 4.048 5 20 IIBD COc1cc(OC)c(C2CCN(C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])CC2)c(OC)c1 1345875010 BAAMNURCKZCALV-UHFFFAOYSA-N 445.472 4.041 5 20 IIBD CC(C)(F)C(=O)Nc1ccc(C2(NC(=O)Cc3cc([N+](=O)[O-])ccc3F)CCC2)cc1 1787940638 WSNPDMRVLSGEPD-UHFFFAOYSA-N 431.439 4.159 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1)c1cc2ccoc2cn1 1790828146 VYDPSTROKCIARF-UHFFFAOYSA-N 446.419 4.391 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCCCN2C(=O)c2ccco2)CC1 1825767821 YFRFNFSLEZAARJ-OAQYLSRUSA-N 439.512 4.054 5 20 IIBD Cc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C(C)C)CC2)cc(Cl)cc1[N+](=O)[O-] 1830736315 VMHXWQVAEGLXPE-LJQANCHMSA-N 435.952 4.446 5 20 IIBD C[C@@H](OC(=O)CCc1cnn(-c2ccccc2)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 16615241 KGRAADAWWVPCGW-OAHLLOKOSA-N 433.424 4.068 5 20 IIBD Cc1sc2ncn(Cc3cc([N+](=O)[O-])cc4c3OCOC4)c(=O)c2c1-c1ccccc1 16658049 TVLRADLMAJVHAW-UHFFFAOYSA-N 435.461 4.256 5 20 IIBD Cc1ccc(C2=NN(C(=O)COC(=O)c3ccc(C)c([N+](=O)[O-])c3)[C@H](c3ccco3)C2)cc1 21172222 FLURRDYTKHFCIT-NRFANRHFSA-N 447.447 4.339 5 20 IIBD C[C@@H](OC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)N(C)Cc1c(F)cccc1Cl 22243815 SGFPKXXDVBDJMH-GFCCVEGCSA-N 449.866 4.166 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 24905763 GTNQVMQOQMXYHN-UHFFFAOYSA-N 431.876 4.056 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nnc(-c2ccccc2Cl)n1C 26264917 OGCVJMVEKBMFOW-UHFFFAOYSA-N 447.904 4.173 5 20 IIBD O=C(CCSc1nnc(COc2ccc(Cl)cc2)o1)Nc1ccccc1[N+](=O)[O-] 26370030 XZZALLDKISBOKH-UHFFFAOYSA-N 434.861 4.331 5 20 IIBD CC(C)Cn1c(-c2ccco2)nn(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1=S 27292677 GWBSZORHBHAYCZ-UHFFFAOYSA-N 442.545 4.018 5 20 IIBD O=[N+]([O-])c1ccccc1OCCSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 59406813 GNGNETZMNNCXAN-KRWDZBQOSA-N 444.488 4.343 5 20 IIBD O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)Nc1ccccc1Oc1ccccc1 60826269 ZSWRKIYGGNNISD-UHFFFAOYSA-N 442.431 4.250 5 20 IIBD COc1cc([N+](=O)[O-])ccc1OCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 72068056 XAOWWPDGBKABGB-HNNXBMFYSA-N 443.506 4.483 5 20 IIBD C[C@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)c1cccc(N2CCCC2)c1 301541377 CGUZRJOTFYJORP-KRWDZBQOSA-N 444.557 4.153 5 20 IIBD COC(=O)c1nc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)sc1C(C)C 426400935 DYHQGUKXHFLNAW-UHFFFAOYSA-N 439.468 4.439 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn23)C1 430222864 GMNXMGZTADXHKJ-CQSZACIVSA-N 435.406 4.045 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N(Cc1cc(F)ccc1F)C1CCCC1 434239007 YYJNODBHDLELCM-UHFFFAOYSA-N 432.423 4.158 5 20 IIBD O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 435656868 SDMNZCUVKRNZQM-UHFFFAOYSA-N 441.749 4.173 5 20 IIBD O=C(NCCCN1CCc2ccccc2C1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436106262 NVOUOJVKFMHMPP-UHFFFAOYSA-N 447.485 4.138 5 20 IIBD C[C@@H](c1ccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1)N1CCOCC1 436425078 MIXJFKWATPUFIM-KRWDZBQOSA-N 427.504 4.327 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(F)c(C(=O)N(C)C)c3)cc2[N+](=O)[O-])C1 438419336 OWUTYGJWOSHOGQ-GASCZTMLSA-N 442.491 4.170 5 20 IIBD O=C(c1ccncc1)N1CCC[C@@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)C1 440615712 PZBZNQUDAHHGCX-OAQYLSRUSA-N 444.491 4.075 5 20 IIBD COC(=O)c1ccc(OCc2ccnc(-c3ccc(Br)cc3)n2)c([N+](=O)[O-])c1 440791748 JOJMIZAAGDIMFI-UHFFFAOYSA-N 444.241 4.180 5 20 IIBD COc1cc(-c2noc(COc3ccc(C(C)=O)cc3[N+](=O)[O-])n2)ccc1OC(F)F 440822454 UJEPXMHSJMCWLF-UHFFFAOYSA-N 435.339 4.036 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccccc1SC 441418393 UGQOJXUOWGQQSR-ZDUSSCGKSA-N 434.539 4.463 5 20 IIBD CCCN(C(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1cccc([N+](=O)[O-])c1 441465183 KVWRIYFCFDDZEX-UHFFFAOYSA-N 429.432 4.452 5 20 IIBD C[C@@H]1CN(CCCCNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 442684823 SSGHKXGMQLHZJL-QZTJIDSGSA-N 443.569 4.365 5 20 IIBD CC(C)[C@H](C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1 443833416 GYARSIOCKXSDTA-SFHVURJKSA-N 445.522 4.262 5 20 IIBD O=C(NCC1CCN(CC(F)(F)F)CC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 444402532 BGTCXJCUQHUYHN-UHFFFAOYSA-N 436.434 4.343 5 20 IIBD Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444638619 WLOFIUCNMPMQIR-UHFFFAOYSA-N 429.795 4.157 5 20 IIBD O=C(NCc1ccc(OCc2ccccc2)cc1)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444883867 XORKUBSLRGLILP-UHFFFAOYSA-N 431.452 4.050 5 20 IIBD COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 446428210 QHCSTKOUPDJJKR-KRWDZBQOSA-N 447.329 4.137 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(F)c(F)cc2Cl)c(Br)c1 447007411 QBOKYKVXAYUEOU-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD Cc1c(CS(=O)(=O)CC(=O)N[C@@H](c2ccc(C(C)C)cc2)C(C)C)cccc1[N+](=O)[O-] 447132038 GCXWLSBABGBACQ-HSZRJFAPSA-N 446.569 4.455 5 20 IIBD Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)ccc1Oc1ccncc1 447272361 RMLZVUKZXUABTG-UHFFFAOYSA-N 436.449 4.440 5 20 IIBD O=C1N[C@](c2ccccc2)(C(F)(F)F)C(=O)N1Cc1ccc([N+](=O)[O-])cc1C(F)(F)F 448101772 QHEPAHXDSUUNHD-INIZCTEOSA-N 447.291 4.123 5 20 IIBD CCc1nnc(CN(c2ccc([C@@H](C)CC)cc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)o1 448133180 VNHAPTOHOBJSJW-HNNXBMFYSA-N 444.513 4.449 5 20 IIBD CCn1c(SCC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)nc2ccccc21 460346600 AENKRINODCQACD-IBGZPJMESA-N 428.539 4.331 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(c1nnc(CC3CCCCC3)n1C[C@@H]1CCCO1)CC2 461123700 KYTTUELRMNOODM-NRFANRHFSA-N 425.533 4.051 5 20 IIBD Cn1cc(C(=O)NC[C@H]2CCCCN(Cc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 461471739 QUDUUSRWNWZKHI-HXUWFJFHSA-N 447.539 4.027 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N(Cc3ccco3)Cc3ccco3)n2C[C@@H]2CCOC2)c1 461583098 WXRRSKJJFUHEKH-KRWDZBQOSA-N 449.467 4.283 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(Nc2ccc(C(F)(F)F)cn2)cc1 461650392 HEDZRUYCUCSAAC-UHFFFAOYSA-N 434.378 4.286 5 20 IIBD COc1cc(C(=O)NCc2c(C)nn(C)c2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 464498587 OQYAFFSJCIYQIB-UHFFFAOYSA-N 444.875 4.329 5 20 IIBD CCCCOc1ccc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1OC 464627033 KYDJBZVUYAMKMQ-UHFFFAOYSA-N 428.485 4.466 5 20 IIBD COc1ccc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1Br 464640188 RTOUHVXIPHZDBT-UHFFFAOYSA-N 435.274 4.050 5 20 IIBD Cc1ccc(-n2cc(NC(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)cn2)c(C)c1 466951144 KPHBHSJFAFQEBX-UHFFFAOYSA-N 435.484 4.473 5 20 IIBD Cc1sc(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)cc1[N+](=O)[O-] 467079581 PPWFOZNJWFXZDU-INIZCTEOSA-N 437.930 4.275 5 20 IIBD CCOc1cc(NC(=O)[C@@H]2C[C@H]2c2cc(OC)ccc2OC)c([N+](=O)[O-])cc1OCC 472812209 RLNMRSOQAZMPGI-GOEBONIOSA-N 430.457 4.152 5 20 IIBD O=C(Nc1cc2c(cc1NC(=O)c1ccc([N+](=O)[O-])cc1F)OCCO2)c1cccs1 473457398 BFUVBXIWVFVROR-UHFFFAOYSA-N 443.412 4.071 5 20 IIBD C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 474877541 KEOCFWGPRQZZFS-STQMWFEESA-N 438.311 4.282 5 20 IIBD Cc1nc([C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c2ccccc2F)no1 475184209 LCYIVNYNDXPSIJ-OAHLLOKOSA-N 439.325 4.355 5 20 IIBD COC(=O)c1csc(-c2cccc(CNC(=O)Nc3cccc([N+](=O)[O-])c3C)c2)n1 480091326 WZHZTCOWRLAJKT-UHFFFAOYSA-N 426.454 4.135 5 20 IIBD COc1cc(C)c(NC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cc1F 481705656 VFWKEEXRAGWMFV-KRWDZBQOSA-N 433.436 4.255 5 20 IIBD COc1cc(C(=O)N2Cc3ccc(C)cc3C2)c([N+](=O)[O-])cc1OCc1cscn1 482836501 NMXIKRBNAFSJJM-UHFFFAOYSA-N 425.466 4.103 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)cc1SC 482836633 DXINLQMIVRRCCR-GJZGRUSLSA-N 445.541 4.187 5 20 IIBD CN(C(=O)[C@H]1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1)c1ccccc1 485424639 YNBYYSDDERSISV-FQEVSTJZSA-N 429.476 4.315 5 20 IIBD O=C(Nc1nc2c(Cl)cccc2s1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 486150116 AKDXQFGFLQBVII-JTQLQIEISA-N 436.902 4.163 5 20 IIBD COCCN(C(=O)Cc1cccc(COC)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 487606149 LTXHVNWHXVMYSV-UHFFFAOYSA-N 441.509 4.087 5 20 IIBD Cc1ccc([C@H](NC(=O)Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)c2cccs2)cc1 487893828 GRQZTZOWDLQALJ-QFIPXVFZSA-N 433.489 4.185 5 20 IIBD COc1ccc(C)cc1C1(CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CCOCC1 488039099 CEQZKYNTANUMON-UHFFFAOYSA-N 441.528 4.195 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cccc(-c2noc(C(F)(F)F)n2)c1 490282459 GPCDXLIJCJZTOE-UHFFFAOYSA-N 431.330 4.326 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCC(N2CCCCC2=O)CC1 492396717 QNZQVPKREVSSFG-UHFFFAOYSA-N 439.537 4.363 5 20 IIBD COc1ccc(Br)cc1CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 493641243 LWUDLIGAXNGZGG-LLVKDONJSA-N 425.304 4.163 5 20 IIBD Cc1cc(C)nc(N2CCN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)CC2)n1 493911020 LBJWRQZEKMBJMQ-UHFFFAOYSA-N 449.536 4.115 5 20 IIBD Cc1ccc(C[C@H](C)C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 498244958 VSOHKROXBSOBKC-AWEZNQCLSA-N 445.522 4.010 5 20 IIBD CC[C@@H](NC(=O)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1)c1cccc([N+](=O)[O-])c1 499108873 FXNQTERVBCWFIK-LYHRCORUSA-N 439.516 4.145 5 20 IIBD C[C@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@@H](C)c1ccccc1C(F)(F)F 500442775 SVLCSAUYVFYQPQ-OLZOCXBDSA-N 433.390 4.116 5 20 IIBD O=C(c1cccc(-c2noc(C(F)(F)F)n2)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 502891155 YUPBTSWDSORVLZ-UHFFFAOYSA-N 432.358 4.468 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2/C=C/c2ccccc2)c(C(F)(F)F)c1 503787821 ISQMTDYYGJILHR-XVJNWHFHSA-N 426.416 4.480 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCc2c(Br)cccc2C1 503869558 HZYUUXUYPIHBPY-UHFFFAOYSA-N 430.302 4.156 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CC[C@]4(CCCN(C)C4)C3)cc2[N+](=O)[O-])n1 505652992 AADBYWNIJWVHCF-FQEVSTJZSA-N 432.571 4.069 5 20 IIBD CCC(CC)(CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 507072743 IURZQUUTMJRYLB-UHFFFAOYSA-N 427.892 4.317 5 20 IIBD CCCOc1ccc(Cl)cc1NC(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] 510230899 NCFDIPUKFXHCPM-UHFFFAOYSA-N 437.880 4.418 5 20 IIBD Cc1cc(Cl)ccc1CN1CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 511083378 YRUCWMGGHPTEJZ-INIZCTEOSA-N 441.919 4.485 5 20 IIBD O=C(NCc1csc2ccccc12)c1ccc([N+](=O)[O-])cc1I 511712786 CCEPKAHEGMVUNN-UHFFFAOYSA-N 438.246 4.344 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC1(c2ccc(Cl)cc2)CCOCC1 512144960 BKLDIASYKVTHGJ-UHFFFAOYSA-N 431.920 4.181 5 20 IIBD O=C1C[C@@H](Nc2cccc(OCc3ccc(F)cc3)c2)C(=O)N1c1cccc([N+](=O)[O-])c1 512247925 BLGXKCLRECRCEJ-OAQYLSRUSA-N 435.411 4.057 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3c[nH]nc3-c3ccccc3F)cc2)c(C)c1[N+](=O)[O-] 513787768 FDPKURCEATVION-UHFFFAOYSA-N 434.431 4.238 5 20 IIBD Cc1nc(Oc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])c2cc(-c3ccccc3)sc2n1 514944549 LDCIXUXOPYBTEN-UHFFFAOYSA-N 442.478 4.015 5 20 IIBD O=C(NCc1ccccc1CN1CCCC1=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 515365452 YDZPBNRKFKELPW-UHFFFAOYSA-N 444.491 4.391 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1C 516546573 MCTWYBHIMTZFIO-OAHLLOKOSA-N 431.539 4.390 5 20 IIBD CCN(Cc1cc(Br)ccc1F)C(=O)CCOc1ccccc1[N+](=O)[O-] 522179540 RXHRJSMVQQNAQC-UHFFFAOYSA-N 425.254 4.314 5 20 IIBD CCOc1ccccc1[C@H](CC(C)C)NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 530819956 IOSWTXJMRDPFGG-FQEVSTJZSA-N 441.532 4.008 5 20 IIBD Cc1ccc(C(=O)NC2CCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)s1 534843007 FLLQWCZNUVFPPG-UHFFFAOYSA-N 426.498 4.014 5 20 IIBD CN(C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 535804611 LVEXDGYGVYLSTN-XQFWAAQXSA-N 429.492 4.210 5 20 IIBD CC1CCN(S(=O)(=O)Cc2ccccc2CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 536847784 UVWQEPOLYYKRTB-SFHVURJKSA-N 431.558 4.007 5 20 IIBD O=[N+]([O-])c1ccccc1/C=C/CNCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 538426071 YMRZVVJEWSPJSM-HWKANZROSA-N 441.484 4.338 5 20 IIBD CN(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 538797018 JCWWMJJILRWTSN-SFHVURJKSA-N 432.885 4.469 5 20 IIBD Cc1ccc([C@H](C)NCc2ccccc2CS(=O)(=O)N2CCC(C)CC2)cc1[N+](=O)[O-] 539054116 WDIZYWONZRCJKH-IBGZPJMESA-N 445.585 4.316 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 539600798 ACJDTRLWMZZDHN-UHFFFAOYSA-N 449.554 4.279 5 20 IIBD C[C@H](NC(=O)N1[C@H]2CC[C@H]1CC(N(C)C(=O)c1ccccc1)C2)c1cccc([N+](=O)[O-])c1 539618985 BFUANFRFBVYGRK-VDGAXYAQSA-N 436.512 4.133 5 20 IIBD O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 540632234 JDADUBWWUIIZIH-ZDUSSCGKSA-N 443.809 4.198 5 20 IIBD CC(C)n1c([C@H]2CCCN2CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nc2ccccc21 541283139 VKYLDPGPSIINPH-OAQYLSRUSA-N 442.541 4.136 5 20 IIBD C[C@@H]1CSc2ccc(Cl)cc2N(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 541417039 RLGWTPDFBBMIJT-LBPRGKRZSA-N 429.889 4.218 5 20 IIBD C[C@@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)Oc1cccc(Br)c1 541579872 GUUIHGKEJAKQFK-RYUDHWBXSA-N 425.254 4.184 5 20 IIBD Cc1nc(N(C)C[C@H](C)c2nccs2)nc(N(C)C[C@H](C)c2nccs2)c1[N+](=O)[O-] 542258508 VOUBZZVMQNAXBI-STQMWFEESA-N 447.590 4.086 5 20 IIBD C[C@H](C(=O)Nc1cccc(NC(=O)CCN2CCCCC2)c1)c1ccc([N+](=O)[O-])cc1F 542552713 OQXDROFJLQRCGJ-INIZCTEOSA-N 442.491 4.291 5 20 IIBD COc1ccc(CSCC(=O)N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] 542590392 QPKQZCLWKWHWSA-RXVVDRJESA-N 448.516 4.354 5 20 IIBD CCCn1c(SC[C@H](O)COc2ccccc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 543120459 LZRCPJFWGBCPQG-MRXNPFEDSA-N 448.932 4.449 5 20 IIBD CCOc1cc(NC(=O)C2(c3ccc(OC)c(OC)c3)CCC2)c([N+](=O)[O-])cc1OCC 543443595 QKUREGSRHHIKIR-UHFFFAOYSA-N 444.484 4.470 5 20 IIBD COc1cc(OCc2nc(-c3cc(Cl)c4c(c3)OCCCO4)no2)ccc1[N+](=O)[O-] 546246306 YSLSYCNBMQBUBB-UHFFFAOYSA-N 433.804 4.047 5 20 IIBD Cc1cc(C)n(-c2ccc(Cc3noc(-c4cnn(-c5ccc([N+](=O)[O-])cc5)c4)n3)cc2)n1 546247462 LUSRPGHAIBGZFP-UHFFFAOYSA-N 441.451 4.224 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(C3=NN(c4ccccc4)[C@H](c4ccccc4)C3)n2)nc1 547193468 ADGTUCHOULACNR-NRFANRHFSA-N 426.436 4.319 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCCO1)c1cc2c(cc1[N+](=O)[O-])OCO2 547967602 BHUFQCNRDSAXNZ-CYBMUJFWSA-N 434.832 4.177 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2cc(Br)ccc2OC(F)F)c1 549010400 RONWGABSBOGQHG-UHFFFAOYSA-N 445.216 4.287 5 20 IIBD CC(C)c1ccc(CNCc2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)cc1[N+](=O)[O-] 551587784 GYUNPMYBRRMHMV-DEOSSOPVSA-N 436.512 4.233 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCCCC[C@@H]1c1ccc(Cl)cc1 557225144 JGVTUXBIMHPLIN-QGZVFWFLSA-N 429.860 4.300 5 20 IIBD COc1ccc(CC(=O)Nc2nc3cc(F)c(Br)cc3s2)cc1[N+](=O)[O-] 558776709 NGHQYEBTTIUUKP-UHFFFAOYSA-N 440.250 4.296 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c1Br 561416580 CMLWYZBODCTIAG-HXUWFJFHSA-N 431.334 4.163 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1cccc(-c2nc(CC(F)(F)F)no2)c1 562247271 RFFFXNZYNXYCPJ-UHFFFAOYSA-N 449.389 4.091 5 20 IIBD COc1cc(CNCc2nccc(C(F)F)n2)ccc1OCc1ccc([N+](=O)[O-])cc1 564119548 PTYVEHODFOSJGZ-UHFFFAOYSA-N 430.411 4.200 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)c1 567655052 JEWJFFRBWORBSF-GOSISDBHSA-N 432.889 4.164 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 573163361 FWBYKFOAIRKPEQ-INIZCTEOSA-N 429.326 4.238 5 20 IIBD Cc1[nH]nc(C(=O)N[C@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)c1[N+](=O)[O-] 573468162 OLDSHEJCNFOOMI-OAHLLOKOSA-N 444.373 4.041 5 20 IIBD CS(=O)(=O)c1ccc(-c2csc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)n2)cc1 581451710 POSCPLNOFSGOKH-UHFFFAOYSA-N 437.886 4.028 5 20 IIBD CC(C)(C)c1ccc(Oc2ccc(CNC[C@H]3CCCS3(=O)=O)cc2[N+](=O)[O-])cc1 582742880 QJJCJKGIZVAMQW-LJQANCHMSA-N 432.542 4.351 5 20 IIBD Cc1cc(OCc2nc(-c3cccc(OCCOC(C)(C)C)n3)no2)ccc1[N+](=O)[O-] 583531471 FFIJKLPRNXYOQL-UHFFFAOYSA-N 428.445 4.121 5 20 IIBD O=[N+]([O-])c1cccc(CN(c2nnc(CCc3ccccc3)n2C[C@@H]2CCOC2)C2CC2)c1 589677867 URMLZVAUSOEZRQ-NRFANRHFSA-N 447.539 4.177 5 20 IIBD Cc1ccc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c(F)c1 603646103 UQTPKIZQAYWGDD-UHFFFAOYSA-N 426.370 4.415 5 20 IIBD CCOc1ccc(C(=O)Nc2nc(-c3ccc(C(=O)OC)cc3)cs2)cc1[N+](=O)[O-] 603825301 NRODIMALZJTCNZ-UHFFFAOYSA-N 427.438 4.156 5 20 IIBD C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cc2c(cc1Br)OCCO2 603939854 LYZCTZWKQZJVOC-SECBINFHSA-N 441.665 4.273 5 20 IIBD C[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1)c1cccc([N+](=O)[O-])c1 603966359 MREXABNUJDXCOC-XLIONFOSSA-N 431.492 4.478 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(C)c(C)c3)nc2)c([N+](=O)[O-])c1 603988520 ZGOLSEVFOSTMIY-UHFFFAOYSA-N 429.454 4.208 5 20 IIBD CC(C)(C)C[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1 604139617 ALDBAJAYMSEBDT-INIZCTEOSA-N 435.427 4.428 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1 608875423 XOAVDKPQPTYAJU-UHFFFAOYSA-N 426.816 4.156 5 20 IIBD CCOC(=O)c1ccc(N(CC2CC2)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1 609099744 AAKXGXOJTYZCOQ-UHFFFAOYSA-N 434.452 4.014 5 20 IIBD COC(=O)c1ccc2c(c1)CN(C(=O)c1ccc(NCc3ccccc3)c([N+](=O)[O-])c1)C2 609308993 VWLAKRIYSIGPIX-UHFFFAOYSA-N 431.448 4.150 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1NC(=O)C(C)(C)C 609511930 PMDLCQVDNYXDLU-UHFFFAOYSA-N 425.894 4.342 5 20 IIBD CCOc1cc(CCCNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)ccc1OC 609894630 OZLUDZYACLDVQM-UHFFFAOYSA-N 427.501 4.283 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 610047168 MJWBTULLDVDBPD-UHFFFAOYSA-N 434.374 4.416 5 20 IIBD CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCc1ccc(NC(=O)c2ccncc2)cc1 610131063 VICIZTKXCIQNRE-UHFFFAOYSA-N 438.415 4.170 5 20 IIBD CN(C)C[C@@H]1CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c2ccccc2O1 610764735 HIFSHFSBLNAYAR-HXUWFJFHSA-N 446.507 4.176 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@H]1COc2cc(F)cc(F)c21 612221731 SQZGRUVOPBTQDT-NSHDSACASA-N 434.342 4.234 5 20 IIBD COc1cc(C(=O)OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)ccc1[N+](=O)[O-] 725944770 BHCQVUQHMDWUDL-UHFFFAOYSA-N 433.631 4.359 5 20 IIBD CCn1cc(Br)cc1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 726819295 UCLAUTKEDJSXEE-VIFPVBQESA-N 444.669 4.016 5 20 IIBD O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)C1(c2cccc(F)c2)CCCC1 729192176 IGSIQBLTOMVSNW-UHFFFAOYSA-N 427.476 4.401 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCCOc1cccc(Cl)c1Cl 731986339 NWSRULPHOIUWPR-UHFFFAOYSA-N 441.239 4.389 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCc1ccnc(OC2CCCCC2)c1 732012888 FMDVNYRTEFPDGC-UHFFFAOYSA-N 441.456 4.310 5 20 IIBD COc1cc(C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)ccc1[N+](=O)[O-] 732026588 BVIPLDBEVHARID-UHFFFAOYSA-N 427.457 4.149 5 20 IIBD CCc1ccc(-c2csc(NC(=O)COC(=O)c3ccc([N+](=O)[O-])c(F)c3)n2)cc1 732336621 GQMUJTMBWCEKBA-UHFFFAOYSA-N 429.429 4.215 5 20 IIBD CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)NCCc3ccc([N+](=O)[O-])cc3)cc2C1 732438420 KVXRCNMIJSIJQM-UHFFFAOYSA-N 440.500 4.252 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)c1cc(O)nc2ccccc12)c1cccc([N+](=O)[O-])c1 734122873 MDRBNUNWCGNUKH-QGZVFWFLSA-N 449.463 4.090 5 20 IIBD C[C@@H](Sc1ncccc1C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCC1 734899154 NEXLEORTNZIDKR-CYBMUJFWSA-N 449.916 4.103 5 20 IIBD O=C(Nc1ccc(N2CCCC2)c(Cl)c1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 735568588 AWXPEJZVPYBDSS-UHFFFAOYSA-N 429.908 4.203 5 20 IIBD CC[C@@H](CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)Cc1cccc(Br)c1 736051502 IGXSFUGTEBXDBB-CQSZACIVSA-N 445.317 4.092 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NC[C@H](O)c2ccsc2)cc1[N+](=O)[O-] 740128027 TYTDLJLXRVSWJS-SFHVURJKSA-N 442.518 4.073 5 20 IIBD Cc1cc(-n2c(C)cc(C(=O)COC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)c2C)no1 740395544 WRDAZKPCLGEKRB-UHFFFAOYSA-N 425.441 4.002 5 20 IIBD Cc1csc(-c2cccc(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2)n1 740408773 WWVAJFNHUCXGGV-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1cc(O)ccc1O 740754847 WVGRWJAJCHSFQQ-LJQANCHMSA-N 442.811 4.196 5 20 IIBD CCO[C@H]1C[C@@H](Nc2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])C12CCC2 741749190 OUWQZYIFTSMODZ-NEPJUHHUSA-N 430.255 4.034 5 20 IIBD COc1cc(C(=O)O[C@H](C)c2nnc(-c3ccc(C)cc3)o2)c([N+](=O)[O-])cc1OC(F)F 744533709 KFPULRRVAZVYRS-LLVKDONJSA-N 449.366 4.481 5 20 IIBD COc1ccc(CSCC(=O)O[C@@H](C)c2nc(-c3ccccc3)no2)cc1[N+](=O)[O-] 744695218 IDWUDTWIAVQRHX-ZDUSSCGKSA-N 429.454 4.191 5 20 IIBD COC(=O)c1cc2cc(COC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])ccc2o1 744868825 AUVHNPJGZLKROD-NSHDSACASA-N 433.800 4.292 5 20 IIBD O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 746069752 XDDPZWWYWAGKHP-UHFFFAOYSA-N 434.710 4.455 5 20 IIBD O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1CCC[C@@H]1c1nc2ccccc2s1 747075726 IRAHZGSEAGBTQI-LJQANCHMSA-N 433.493 4.223 5 20 IIBD Cc1ccc(CNC(=O)C2CCN(Cn3c(=S)oc4ccc([N+](=O)[O-])cc43)CC2)cc1 747472095 YLZZMRNRHYNXQP-UHFFFAOYSA-N 440.525 4.166 5 20 IIBD CCCOc1ccc(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cn1 750864284 IJVXLOPRPWSALC-UHFFFAOYSA-N 428.670 4.125 5 20 IIBD Cc1ccc(CN(C(=O)COC(=O)c2ccc(Br)cc2[N+](=O)[O-])C2CC2)cc1 750963045 HKYFMCXEADBBDR-UHFFFAOYSA-N 447.285 4.014 5 20 IIBD CSc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(Br)cc1[N+](=O)[O-] 750965867 PZOLMKCGGCLJKH-JTQLQIEISA-N 439.287 4.263 5 20 IIBD O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1cc(F)ccc1[N+](=O)[O-] 751108806 UKSAKAMBLPMXOQ-UHFFFAOYSA-N 426.366 4.231 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(CC(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)cc1 751616603 HNSRJFPDUVMEJA-UHFFFAOYSA-N 427.413 4.369 5 20 IIBD C[C@@H]1CN(c2ccc(NC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)cc2F)C[C@@H](C)O1 751999063 GNSCRPPTQGBELI-HUUCEWRRSA-N 430.480 4.404 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)cc1[N+](=O)[O-] 752194910 GHHUNEPPMLEHHG-UHFFFAOYSA-N 437.827 4.442 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2cccc(OCc3cccnc3)c2)cc1[N+](=O)[O-] 753066617 TUZPKQGSYNBAOW-UHFFFAOYSA-N 433.873 4.331 5 20 IIBD CC(C)n1ncc(C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1-c1ccccc1 753615543 FNOIJDZYFAPCMS-UHFFFAOYSA-N 433.424 4.446 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)c1cccc(OC(F)(F)F)c1 754020524 YVBYLSNVWMNEIN-NEPJUHHUSA-N 427.379 4.180 5 20 IIBD C[C@H]1[C@H](c2ccccc2)OC[C@@H](C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1Br 755307609 VZSDOOGCLXKRET-LAPQFRIASA-N 433.302 4.277 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cnc(Br)c(Br)c1 757834852 XPSCKCFZUNBWRW-UHFFFAOYSA-N 449.486 4.349 5 20 IIBD CCOC(=O)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)c1cccc(C)c1C 759197979 FAUQKYJYGFTSPG-QGZVFWFLSA-N 435.274 4.008 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC2(CC1)OCc1ccccc12 760096803 MYSDHDSGAMAABF-UHFFFAOYSA-N 435.249 4.158 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(COCCOC(C)C)c1 761891405 KBCTWQWAFLYAMN-UHFFFAOYSA-N 442.921 4.299 5 20 IIBD O=C(NN1CCc2ccccc2C1=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 762653908 AJRFNEYCTADVQA-UHFFFAOYSA-N 425.510 4.220 5 20 IIBD C[C@@H](OC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1nc(-c2ccccc2)cs1 763409925 VGCMUIRRTAVAPZ-ZIAGYGMSSA-N 425.466 4.392 5 20 IIBD O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 763564085 DLVQZRLVXTWXKL-UHFFFAOYSA-N 443.916 4.239 5 20 IIBD O=[N+]([O-])c1cc(F)cc(OS(=O)(=O)c2c(Cl)cc(F)cc2Br)c1 767299956 IOQWDVDMXMSKRX-UHFFFAOYSA-N 428.594 4.057 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2cnc(-c3ccccc3)s2)ccc1Br 768281721 FZZQVZIXSBDOJK-UHFFFAOYSA-N 440.300 4.282 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(O)(c2ccccc2Cl)CC1 769817126 NFCSABNVGDAGFW-ZDUSSCGKSA-N 438.311 4.212 5 20 IIBD CCc1nc2ccccc2n1C1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 772379185 SJDIXNFWURKSCF-UHFFFAOYSA-N 441.919 4.436 5 20 IIBD COc1ccc(C(=O)CCCC(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)cc1 773405615 CEEGOHFFVOZGDD-UHFFFAOYSA-N 436.258 4.462 5 20 IIBD CN(C)C1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Br)cc2)CC1 774847806 MRZMLPJPNYWOHZ-UHFFFAOYSA-N 447.333 4.140 5 20 IIBD COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 776274488 IDHTZZIDBSHREI-RCZVLFRGSA-N 434.492 4.293 5 20 IIBD Cc1cc(C(=O)COC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c(C)n1CC(F)(F)F 777488056 XNGZMGIOWMBDCF-UHFFFAOYSA-N 439.390 4.189 5 20 IIBD Cc1cc(C(=O)NC2CCCCC2)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C 777924536 ZGNQLHCKOOWUTH-UHFFFAOYSA-N 449.504 4.214 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(NC(=O)c2cccs2)cc1 777934349 WPTUEWSLBKPJHR-UHFFFAOYSA-N 435.458 4.157 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1cc([N+](=O)[O-])ccc1OC(F)F 778255936 ADNRUZKVKRDSTQ-UHFFFAOYSA-N 430.751 4.122 5 20 IIBD Cc1cc(Cl)ccc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 778886820 CYQKJTOGRWALGA-SNVBAGLBSA-N 428.775 4.342 5 20 IIBD COc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1O 779064644 KJJUGIJAAMVDLK-UHFFFAOYSA-N 441.827 4.467 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] 780047522 PXNLTXXHPONXQY-IBGZPJMESA-N 440.887 4.264 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl 780048397 YNQMVIPCKNFREF-FQEVSTJZSA-N 440.887 4.264 5 20 IIBD C[C@@H](OC(=O)c1csc(-c2ccc(F)c(F)c2)n1)C(=O)Nc1cccc([N+](=O)[O-])c1 780134826 TTXLQIVQNSOWLM-SNVBAGLBSA-N 433.392 4.181 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(F)cc1OCC(F)(F)F 781638518 IPPUICMKNZUMGW-UHFFFAOYSA-N 431.298 4.155 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](CCOC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 783181213 IOSDZQTUMDXMBD-QGZVFWFLSA-N 447.532 4.002 5 20 IIBD Cc1cc(F)ccc1-n1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1 783279017 YOXQPFLHEAWHRE-GFCCVEGCSA-N 446.822 4.065 5 20 IIBD CC1CCN(CCc2cccc(NC(=O)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2)CC1 785170956 HAUAUQLKEDJYOI-UHFFFAOYSA-N 444.919 4.100 5 20 IIBD C[C@](O)(CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccc(F)cc1F 787403995 UBMVRJYKKXLGGK-QHCPKHFHSA-N 442.418 4.090 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])OCc1nnc(-c2cccc(Cl)c2)o1 790744687 WLXPTXBTCDHSFB-UHFFFAOYSA-N 426.187 4.377 5 20 IIBD Cc1nc2c(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4C(F)(F)F)CC3)cccc2o1 791562971 GVKCKCCINCTEMH-UHFFFAOYSA-N 434.374 4.026 5 20 IIBD O=[N+]([O-])c1ccc(Br)c2c1CN(Cc1nc(-c3ccccc3F)no1)CC2 792893103 YVXSHAYGRXUSPO-UHFFFAOYSA-N 433.237 4.105 5 20 IIBD CCCc1[nH]nc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1[N+](=O)[O-] 796265045 HYUAMZIQEGJLBQ-QMMMGPOBSA-N 448.785 4.127 5 20 IIBD Cc1ccccc1-c1noc(C)c1C(=O)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 796660057 ALUHJWKIMNMUSX-UHFFFAOYSA-N 443.843 4.107 5 20 IIBD O=C(OCc1cncn1CC(F)(F)F)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 797109317 KPYOQWINLMIARQ-UHFFFAOYSA-N 435.358 4.290 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)N(C)CCc3cccc([N+](=O)[O-])c3)cc2F)C[C@H](C)O1 800915072 DNVQIOVJGXETAQ-HOTGVXAUSA-N 430.480 4.054 5 20 IIBD CCN(CC)Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 801427793 LEUCLMZVLHNCLU-CQSZACIVSA-N 433.892 4.274 5 20 IIBD COc1cccc(CN(C)C(=O)c2ccc(N)c([N+](=O)[O-])c2)c1OCc1ccccc1F 801557968 QETFJRHYKWFNSV-UHFFFAOYSA-N 439.443 4.176 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 801950599 NGNPDLDXGCOSNK-OAHLLOKOSA-N 430.436 4.386 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)c1ccc(Oc2cccnc2)cc1 808326408 XNZYIPOUOVOKAS-CQSZACIVSA-N 431.445 4.269 5 20 IIBD CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[C@@H]1NC(=O)OC(C)(C)C 815875595 BZWOZWFGIRSNBY-LRDDRELGSA-N 445.438 4.379 5 20 IIBD CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C[C@@](C)(C(F)(F)F)O1 818190611 XHVCXXWXEWJDMJ-IBGZPJMESA-N 429.439 4.157 5 20 IIBD CCc1ccc2c(COC(=O)CSCc3ccc(OC)c([N+](=O)[O-])c3)cc(=O)oc2c1 914916770 WZSSAQOISDEXID-UHFFFAOYSA-N 443.477 4.249 5 20 IIBD Nn1c(COc2c(Cl)cccc2Cl)nnc1SCCc1ccc([N+](=O)[O-])cc1 915794269 LWJKPIGBBHXZCQ-UHFFFAOYSA-N 440.312 4.121 5 20 IIBD COCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c(C)c1 917747781 XCZZQXRVNGMXTN-UHFFFAOYSA-N 427.501 4.417 5 20 IIBD O=C(NC[C@@H]1CCCOC1)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 917835473 GOGPNTKCFXDRSB-NRFANRHFSA-N 437.540 4.210 5 20 IIBD CCNC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 918623967 JDLDECSZVBKYNW-UHFFFAOYSA-N 444.919 4.487 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)COC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1C 920778867 NKRTZYHBUDVXPR-CABCVRRESA-N 434.876 4.053 5 20 IIBD CC(C)[C@@H](OC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2sccc2C1 924161456 WGLHLYXEQMVYEV-AUUYWEPGSA-N 448.566 4.290 5 20 IIBD Nc1c(C(=O)Nc2cccc(OCc3ccccn3)c2)cc(Br)cc1[N+](=O)[O-] 1116934724 BBQJCQNVPFGFSB-UHFFFAOYSA-N 443.257 4.166 5 20 IIBD COc1ccc(NC(=O)N[C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)c([N+](=O)[O-])c1 1263627643 RJTYCKAKNJCLRL-YCRPNKLZSA-N 429.473 4.050 5 20 IIBD C[C@@H](OC(=O)CC(C1CC1)C1CC1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 1318007006 BUPCRXPMJQEMFS-GFCCVEGCSA-N 429.498 4.415 5 20 IIBD CCOC(=O)c1c(-c2ccco2)csc1NC(=O)CN1Cc2ccc([N+](=O)[O-])cc2C1 1318853482 FNDDNMCNANQJIR-UHFFFAOYSA-N 441.465 4.047 5 20 IIBD COc1ccc([C@H]2[C@@H](c3nc(-c4cc(C)c([N+](=O)[O-])cc4C)no3)CCC(=O)N2C)cc1 1320498373 UJAVZZSMKSISRX-UWJYYQICSA-N 436.468 4.347 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)OCc1csc(C(F)(F)F)n1 1321323011 MDRBZBQUHDZCBU-UHFFFAOYSA-N 425.182 4.119 5 20 IIBD O=C(COC(=O)c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1)c1cccc([N+](=O)[O-])c1 1322650710 PTYXDDWRUKQAEP-UHFFFAOYSA-N 442.431 4.246 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)NC1(c2ccc(NC(=O)C3CCC3)cc2)CCC1 1787610159 QTDPGNJMVDHANP-UHFFFAOYSA-N 425.460 4.211 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc(O)cc3)CCC2)cc1)c1cc(O)cc([N+](=O)[O-])c1 1790756350 AMNATJLEYVUATG-UHFFFAOYSA-N 447.447 4.068 5 20 IIBD CC[C@H](C)[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C2)c1ccccc1 1795574900 SOTHFZIXPRBWAP-LJDWRWTJSA-N 438.528 4.005 5 20 IIBD C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1[N+](=O)[O-])c1cccs1 1804344944 OBJXDYOAAGVDGG-PAOAKCCESA-N 439.537 4.111 5 20 IIBD Cc1ccc(F)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823891775 YFGMSJZXBGTIDJ-IBGZPJMESA-N 443.475 4.182 5 20 IIBD CCC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)CCC1 1828473703 SOJFQDWSMOBFAW-JOCHJYFZSA-N 441.572 4.337 5 20 IIBD O=C(C1CCCC1)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc(F)ccc2[N+](=O)[O-])CC1 1832887573 SGZOMBXDTDFQRH-NRFANRHFSA-N 445.535 4.086 5 20 IIBD O=C(C1CCCC1)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1832902944 GUHLSVQSOKLWSG-CHHLAKQQSA-N 439.556 4.418 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(COCC(F)(F)F)cc1 11483757 QILHHZWTJQOATF-ZDUSSCGKSA-N 428.432 4.471 5 20 IIBD Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)[nH]n2)cc1 11494082 OBTAOTJHWKZQPU-UHFFFAOYSA-N 448.357 4.108 5 20 IIBD COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc(OC)c1OC 14472776 KUAKEAVHPMLORO-UHFFFAOYSA-N 437.452 4.485 5 20 IIBD NC(=O)c1ccc(SCC(=O)Nc2cc(Cl)ccc2N2CCCCC2)c([N+](=O)[O-])c1 14912194 LTAWEPACWYRJPM-UHFFFAOYSA-N 448.932 4.068 5 20 IIBD COCCc1ccc(Oc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])cc1 15165108 ZTNLWCQIFXUAFF-UHFFFAOYSA-N 434.514 4.141 5 20 IIBD C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 21683397 ABYFLQAXVKGDQR-GFCCVEGCSA-N 427.461 4.311 5 20 IIBD Cn1c(SCC(=O)Nc2ccccc2OC(F)F)nc2cc3ccccc3cc2c1=O 24969744 JVTLVIRUGGCFME-UHFFFAOYSA-N 441.459 4.419 5 20 IIBD CCOc1cc(C(=O)O[C@H](C)c2nnc(-c3ccc(C)cc3)o2)c([N+](=O)[O-])cc1OC 28001060 MEIJPPXDICUEAL-CYBMUJFWSA-N 427.413 4.279 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCc3ccc(OC(F)(F)F)cc3)cc2)c(C)c1[N+](=O)[O-] 29795503 ZRVRNBNSAIZWKB-UHFFFAOYSA-N 448.401 4.285 5 20 IIBD CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 64917915 QKPWTDIXFWQSGB-CQSZACIVSA-N 438.509 4.177 5 20 IIBD CC(C)(C)NS(=O)(=O)c1ccccc1CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 64947851 GIDPKYZBXMGQNK-UHFFFAOYSA-N 431.436 4.303 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(N3CCSCC3)cc2C)c([N+](=O)[O-])cc1OC 65035531 SEJSINHXESGJJG-UHFFFAOYSA-N 431.514 4.116 5 20 IIBD CN(C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(Oc2ccccc2)cc1 78872048 YMNLCJHTARETHC-UHFFFAOYSA-N 439.855 4.433 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)c(N)c(Cl)c2)ccc1[N+](=O)[O-] 110344712 LHABUNHKVFQLON-MRXNPFEDSA-N 437.283 4.036 5 20 IIBD O=C(c1ccncc1)N1CCC(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 237817099 UDSYRFZDHIXZKZ-UHFFFAOYSA-N 440.887 4.298 5 20 IIBD Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)cc1[N+](=O)[O-] 247987001 KDWFVUQLNQCZCW-UHFFFAOYSA-N 431.514 4.109 5 20 IIBD CCn1c(Sc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 301069323 DYCORVOYGYJRAM-UHFFFAOYSA-N 438.918 4.081 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCc1cc(Cl)ccc1Br 302627858 IOWJGNPANFYTAT-UHFFFAOYSA-N 433.711 4.069 5 20 IIBD Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)s2)cc1 303269121 GWHRZJVYGQQQEL-CQSZACIVSA-N 448.508 4.407 5 20 IIBD COCCN(Cc1cc(Br)cs1)C(=O)c1ccc(SC)c([N+](=O)[O-])c1 427743365 RTXOBSOYANDXKI-UHFFFAOYSA-N 445.360 4.430 5 20 IIBD CC[C@]1(CO)CCCN(C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 428540927 SQBGWPPXNWYXLM-QHCPKHFHSA-N 442.537 4.172 5 20 IIBD COc1cc(CNC[C@@H]2CCO[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OCC(F)(F)F 428688140 YUPCIXAHVCEZEV-YWZLYKJASA-N 440.418 4.412 5 20 IIBD Cc1c(Cl)cccc1NC(=O)CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 431471095 NAKWVGLCYUEODT-UHFFFAOYSA-N 440.681 4.078 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3ccnn3[C@@H](C)CC(C)C)CC2)ccc1[N+](=O)[O-] 432409437 YWBPPDAKRQRQHS-KRWDZBQOSA-N 444.536 4.151 5 20 IIBD Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 433438777 DKMOHLGXTXWGSG-UHFFFAOYSA-N 427.411 4.470 5 20 IIBD CC(C)[C@@H](C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1cccnc1 435391049 RGBQBQNSKYAOFC-LJQANCHMSA-N 436.434 4.097 5 20 IIBD O=C(Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)c1ccc(Cl)cc1[N+](=O)[O-] 435636715 KPZKPOSYGVEDCH-KRWDZBQOSA-N 425.876 4.144 5 20 IIBD CN(CCC1CCOCC1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435835816 OCCLTFDSPPMSEE-UHFFFAOYSA-N 449.554 4.021 5 20 IIBD CCCS(=O)(=O)Nc1ccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 436308755 CWVFRHFSZCDFIC-UHFFFAOYSA-N 435.505 4.085 5 20 IIBD O=C(Nc1cccc(CN2CCSCC2)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437247955 YWHCBLBXWWGNHW-UHFFFAOYSA-N 425.432 4.415 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F 438654321 HMJYGAYEBWLILP-UHFFFAOYSA-N 441.818 4.225 5 20 IIBD Cc1coc(-c2cc(NC(=O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)ccc2C)n1 438667784 LUUCHTXBCUCEFV-UHFFFAOYSA-N 436.468 4.242 5 20 IIBD CC(C)c1ccc(C(=O)NCC2(N[C@@H](C)c3ccccc3)CCOCC2)cc1[N+](=O)[O-] 439261105 MOBRLQMKBLODKE-SFHVURJKSA-N 425.529 4.348 5 20 IIBD C[C@H](NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])C(=O)N1CCCC[C@@H]1C 442716423 QVFSDIIGJPGQJI-HOTGVXAUSA-N 427.526 4.265 5 20 IIBD O=C(N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1(Cc2ccc(C(F)(F)F)cc2)CC1 444021154 NDCMUTOONHMZPM-MRXNPFEDSA-N 434.418 4.044 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 444241547 FGMVUUIFHUUBNA-JLCFBVMHSA-N 437.490 4.048 5 20 IIBD CCCC[C@@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)C(=O)OC(C)(C)C 444327870 RIUAFNOPTNAWFS-GOSISDBHSA-N 426.488 4.451 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3cc(F)c(F)cc3s2)c(C(F)(F)F)c1 446940924 XAZDZYDLICRLGC-UHFFFAOYSA-N 439.343 4.302 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1-c1ncco1 446995816 ZRRVFERNJGXMEV-UHFFFAOYSA-N 427.360 4.378 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)c(C(F)(F)F)c1 447024987 AVBGLDTUGGJTKU-VHSXEESVSA-N 434.358 4.261 5 20 IIBD COc1ccc(Cl)cc1C1(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCOCC1 447532132 SJBQMIPOAVKROF-RTBURBONSA-N 448.951 4.275 5 20 IIBD C[C@@H]1CCCN(S(=O)(=O)c2ccc(CN[C@@H]3CCCc4ccc([N+](=O)[O-])cc43)cc2)C1 447537066 SKMDBAZJGNAIMC-UZUQRXQVSA-N 443.569 4.183 5 20 IIBD CC1(C)C[C@H]2C[C@@](C)(CN2c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCOC2)C1 461594401 WRMVAIZLXKXTBP-BTCOZLQPSA-N 425.533 4.295 5 20 IIBD COc1cccc([C@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])c2ccccc2Cl)c1 462243426 CFHIKCKERKPSQV-NRFANRHFSA-N 425.872 4.235 5 20 IIBD COc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Br 463591262 CQMRZUXVOVJKPA-UHFFFAOYSA-N 433.180 4.315 5 20 IIBD CCCN(Cc1ccccc1Br)C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C 464028125 WFOGIHCXGHPZDB-UHFFFAOYSA-N 448.317 4.351 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1Cc2ccccc2C[C@@H]1c1ccccc1 465154833 CAFUTISJPCCVAQ-OAQYLSRUSA-N 430.460 4.235 5 20 IIBD COC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1OC(C)C 466651022 KTSSAVOIQKKWQX-GFCCVEGCSA-N 436.848 4.228 5 20 IIBD COCc1ccc([C@@H]2CCCN2C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])o1 466850861 BPJBRWGOHWBEJD-INIZCTEOSA-N 428.363 4.253 5 20 IIBD Cc1c(Cl)cccc1NC(=O)CCNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl 467213152 BNWHZUWHSLNLQT-UHFFFAOYSA-N 425.272 4.038 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 468177833 LXHNSQXYUIHVGM-RTWAWAEBSA-N 433.512 4.002 5 20 IIBD CC(C)CCSc1ccc(C(=O)N(C)C2CCN(c3cccnn3)CC2)cc1[N+](=O)[O-] 468263172 VNZACKGUMWATQW-UHFFFAOYSA-N 443.573 4.264 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1cc2ccccc2o1 468279178 ODJUKDUSQUEGRC-CYBMUJFWSA-N 428.466 4.487 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCSc2ccncc21 469531803 WCOJQQGPPTZIDE-UHFFFAOYSA-N 436.280 4.235 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC[C@H](C)c1cccc(C(F)(F)F)c1 470220869 UKECEEOGBCDWCH-LRDDRELGSA-N 441.454 4.156 5 20 IIBD O=C(Nc1cccc(OCc2cccc(F)c2)c1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 472717066 UPFWPQCKXLKOPN-UHFFFAOYSA-N 427.363 4.029 5 20 IIBD COc1ccccc1Oc1ccc(CNC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)cc1 476169289 SMXVHBIRGDYJDH-UHFFFAOYSA-N 437.452 4.404 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 477011635 ZLNYPJWBBMCYDS-SFHVURJKSA-N 442.497 4.123 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCc2cc(Br)cc(F)c21 478391598 MKNUXPAVAMBIAE-UHFFFAOYSA-N 448.292 4.302 5 20 IIBD O=[N+]([O-])c1cc(I)ccc1OCc1coc(-c2cccs2)n1 478888241 MBMGDGZVZHBNTP-UHFFFAOYSA-N 428.207 4.495 5 20 IIBD C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(NC(=O)c2ccccc2)c1 480382538 VRIWLXXEABHRQK-AWEZNQCLSA-N 429.436 4.214 5 20 IIBD COc1cc(C(=O)Nc2c(F)cccc2OC)c([N+](=O)[O-])cc1OCc1cscn1 484317191 QCAUKKNNGRSKNX-UHFFFAOYSA-N 433.417 4.039 5 20 IIBD CSc1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)c1[N+](=O)[O-] 486253863 SVIJXQVLCODDAP-IBGZPJMESA-N 435.505 4.297 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC2(CC1)OCCc1ccsc12 487176350 LZDDZNDGUAJZCX-UHFFFAOYSA-N 429.542 4.253 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1[N+](=O)[O-] 487979846 QWLBXWQORACQRK-HNNXBMFYSA-N 444.919 4.432 5 20 IIBD C[C@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(NC(=O)NC2CC2)cc1 488241603 LNNQDUSECYJORR-ZDUSSCGKSA-N 445.907 4.135 5 20 IIBD C[C@@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccccc1OCc1ccccc1 490116350 DLZCMLCECGVQDX-QGZVFWFLSA-N 443.463 4.246 5 20 IIBD COc1cc(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 493464916 NEYUBQNFOPNTMO-KSSFIOAISA-N 445.903 4.215 5 20 IIBD O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)C2)nc1 494937733 NKBFBRVSUPWMIV-MRXNPFEDSA-N 432.406 4.085 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NCc1nnnn1-c1ccc(Cl)cc1C(F)(F)F 497621474 VKKAKOWGLNLWTA-UHFFFAOYSA-N 426.786 4.472 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC(C)C)cc1F 498034042 XIWRFGXWOYGBSD-LJQANCHMSA-N 449.504 4.011 5 20 IIBD COC(=O)Cc1sc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)nc1-c1ccccc1 498718908 JVFCBZCOMIQISC-UHFFFAOYSA-N 448.460 4.234 5 20 IIBD COc1cc(CNc2cccc(C)c2C(=O)N2CCCC2)c([N+](=O)[O-])cc1OCC(F)F 502605091 WJXQRSKEAFWQII-UHFFFAOYSA-N 449.454 4.404 5 20 IIBD Cc1ccc(NC(=O)C(=O)NCCc2ccc(Oc3ccc(F)cc3)cc2)cc1[N+](=O)[O-] 504344538 GSGBTUWDERWENC-UHFFFAOYSA-N 437.427 4.132 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCOc2c(-c3ccccc3)cccc21 505091400 VZYYZECKBHJGTG-OPAMFIHVSA-N 445.475 4.020 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2cc(C(N)=O)oc2C)cs1 506490425 XQZLCWKREDCDNJ-UHFFFAOYSA-N 446.510 4.473 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)c([N+](=O)[O-])c1 509581961 FNJRVUIHJQQQPY-UHFFFAOYSA-N 435.845 4.203 5 20 IIBD COc1ccc(C2(CNC(=O)COc3ccc([N+](=O)[O-])cc3)CCCCC2)cc1OC 510623260 RLCXAEPVMLRDSF-UHFFFAOYSA-N 428.485 4.009 5 20 IIBD CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)s1 513039441 AOQYLYBHZXNIDL-CHWSQXEVSA-N 429.502 4.022 5 20 IIBD CCCc1nc(-c2noc(-c3cc([N+](=O)[O-])cc(I)c3C)n2)co1 515409179 GSNJZCLYZSVEPW-UHFFFAOYSA-N 440.197 4.165 5 20 IIBD CC[C@H](c1ccccc1OC)N(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 519556703 HASBDJPLLLDRLR-CTNGQTDRSA-N 439.512 4.126 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 520055862 JGWIWKLFKYMDEB-UHFFFAOYSA-N 447.419 4.235 5 20 IIBD O=C1CCCCN1CCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 520233321 LNTWJGAICFUCBE-UHFFFAOYSA-N 436.306 4.110 5 20 IIBD Cc1c(-c2nc(-c3ccc(Oc4ccccc4)nc3)no2)nnn1-c1cccc([N+](=O)[O-])c1 520302012 FKWJHOURCLUOOX-UHFFFAOYSA-N 441.407 4.388 5 20 IIBD O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 522883514 HPRCTDMIYLIHQH-INIZCTEOSA-N 427.810 4.271 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cc(N2CCNC2=O)ccc1F 523160264 WOIXBKWUNSBCGP-UHFFFAOYSA-N 436.399 4.308 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N[C@H](Cc2ccc(C)cc2)c2ccccn2)c([N+](=O)[O-])c1 523741515 ORFUCFOLZCFBKN-HTAPYJJXSA-N 434.496 4.207 5 20 IIBD CCN(C(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)[C@H](C)c1cccc(C(F)(F)F)c1 525901635 RVKITCDHAZIWEE-GFCCVEGCSA-N 439.390 4.170 5 20 IIBD COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 532887580 SFKUXTVFPSWYKZ-SFHVURJKSA-N 449.301 4.187 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)c1cccc(F)c1 534214720 REIXVKGZEVUQBI-UHFFFAOYSA-N 434.489 4.097 5 20 IIBD Cc1ccc(Br)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 536411642 DNMRREXTLFXCPH-UHFFFAOYSA-N 439.209 4.485 5 20 IIBD Cc1cccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)N2CCOCC2)c1 537096751 KAGUTMKSAKAFJM-OAQYLSRUSA-N 443.569 4.207 5 20 IIBD Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)nn1-c1cccc(F)c1 537348126 ARSXZGQMNUNHJC-UHFFFAOYSA-N 444.366 4.048 5 20 IIBD O=C(COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ccc(OC(F)(F)F)cc1 541296963 VFGDRUVDDXOJBX-UHFFFAOYSA-N 438.280 4.207 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)Nc1cccc(Cl)c1SC(C)C 541392371 CUJSNYYXXKEXNA-UHFFFAOYSA-N 437.905 4.012 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 541454473 QQGDHPGKQVYQOX-UHFFFAOYSA-N 435.362 4.130 5 20 IIBD COc1cccc([C@H]2C[C@@H](C)CN2c2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)c1 542208571 ZUGFTZYEIYUYDM-AUUYWEPGSA-N 440.887 4.390 5 20 IIBD Cc1csc([C@@H](C)CNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)n1 542582564 JGYPFSDPQVGVDA-VIFPVBQESA-N 440.312 4.386 5 20 IIBD COc1cc(CN[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OCC(F)F 542689463 FRCLXZBCJSMGOQ-AEFFLSMTSA-N 440.418 4.396 5 20 IIBD C[C@@H](C(=O)N1CCc2c(Br)ccc(F)c2C1)c1ccc([N+](=O)[O-])cc1F 542694289 LYCFJDWWFIHMKH-SNVBAGLBSA-N 425.229 4.324 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 542924341 NBKJUPRKGUOFPK-BFUOFWGJSA-N 446.389 4.012 5 20 IIBD COC(=O)[C@@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 543209608 PLKACVTYHVRLFL-AWEZNQCLSA-N 449.193 4.147 5 20 IIBD COc1ccc(CC(=O)N2CCC(c3cccc(Br)c3)CC2)cc1[N+](=O)[O-] 545962950 LFFWPHVNQIPPOE-UHFFFAOYSA-N 433.302 4.315 5 20 IIBD Cc1nc(Cc2noc(-c3ccn(-c4c(Cl)cc([N+](=O)[O-])cc4Cl)n3)n2)cs1 546943056 HSLHIXAQVYAVJY-UHFFFAOYSA-N 437.268 4.493 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3nc(-c4cccs4)n(-c4cccc(F)c4)n3)n2)nc1 547198479 SQBAFRHDQZLUIK-UHFFFAOYSA-N 449.427 4.079 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1cc(Cl)ccc1OCC1CCC1 549341890 BKFFHIGGJRLGEF-UHFFFAOYSA-N 445.903 4.067 5 20 IIBD Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1 554671181 NNNZWSKPGLPLLZ-UXHICEINSA-N 443.931 4.010 5 20 IIBD Cc1csc(CCCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 559260181 AFECGCPUJSCGHJ-UHFFFAOYSA-N 442.463 4.050 5 20 IIBD Cc1cccc(C(NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)c2cccc(C)c2)c1 564019197 FYLMGRCCYGJVSL-UHFFFAOYSA-N 431.492 4.042 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(-c2nc(C(=O)OC)cs2)c1 571606150 NPDOGGOCIMKPBJ-UHFFFAOYSA-N 440.481 4.389 5 20 IIBD O=C(c1cc(C(=O)N2CCC[C@H](C3CC3)C2)cc([N+](=O)[O-])c1)N1CCC[C@@H](C2CC2)C1 589527103 XQPJZVFLTBRHDF-KDURUIRLSA-N 425.529 4.119 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC(Cc2cccc(C(F)(F)F)c2)C1 590423925 YJEIWUICGZPGJS-UHFFFAOYSA-N 430.386 4.114 5 20 IIBD CC(=O)N[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1ccc(C)cc1 590646583 RFATWCIBSCYLSP-HSZRJFAPSA-N 445.475 4.340 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ncc(Cc2cc(F)cc(F)c2)s1 603630977 FSTFXLQSAYYQJC-UHFFFAOYSA-N 425.438 4.030 5 20 IIBD CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 603819053 VOFBRRIINCDXHM-UHFFFAOYSA-N 427.482 4.309 5 20 IIBD CCOC(=O)c1cccc(N(CC)C(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c1 604025797 GFTYILVHDIGIEW-UHFFFAOYSA-N 438.383 4.048 5 20 IIBD CC(C)Cn1ccc2cc(NC(=O)CSc3ccc(C(N)=O)cc3[N+](=O)[O-])ccc21 604457602 FQYOFADYEBXBGZ-UHFFFAOYSA-N 426.498 4.035 5 20 IIBD O=C(Nc1ccc(CN2CCc3ccccc32)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 608873920 OMKABMCDCXAGIL-UHFFFAOYSA-N 431.448 4.181 5 20 IIBD CCN(C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1cccnc1 609174338 LPJBCPLVMHGSDN-UHFFFAOYSA-N 427.464 4.438 5 20 IIBD Cc1cc(F)cc2c1N(C(=O)c1ccc([N+](=O)[O-])cc1I)CCC2 609426711 LVSJNMWVWXCCSR-UHFFFAOYSA-N 440.212 4.240 5 20 IIBD O=C(CC[C@@H]1CCCCO1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 609502400 ZRWRCDRLJSYWGX-SFHVURJKSA-N 443.569 4.317 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2nncn2Cc2ccccc2)cc1[N+](=O)[O-])c1ccccn1 609795375 QDCWZANNVDNNNJ-INIZCTEOSA-N 443.467 4.055 5 20 IIBD COc1ccc(OCCSc2nc(O)c3c4c(sc3n2)CCCC4)c([N+](=O)[O-])c1 610218411 KZZUQWOYPAYXDN-UHFFFAOYSA-N 433.511 4.364 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C)c(NC(C)=O)c1C 611193141 OUIWHGLIJYFHPV-UHFFFAOYSA-N 445.497 4.078 5 20 IIBD Cc1cccc(C(=O)NCCNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)c1 611201514 HERMEUHLISTHRE-UHFFFAOYSA-N 427.526 4.098 5 20 IIBD CCOC(=O)C[C@H](c1ccccc1)C1CCN(c2ncnc3ccc([N+](=O)[O-])cc23)CC1 611700992 LQNJJJLVWMDQIY-HXUWFJFHSA-N 434.496 4.491 5 20 IIBD C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CCOC(c2ccccc2)c2ccccc2)C1=O 619237423 VMNXHZFGTOFJPT-RUZDIDTESA-N 445.475 4.168 5 20 IIBD CC(C)(C)OC(=O)N1CCC(C(=O)NCc2ccc([N+](=O)[O-])cc2)(c2ccccc2)CC1 727143121 XMVIVMKEKYJNQP-UHFFFAOYSA-N 439.512 4.180 5 20 IIBD C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 728388397 QAGHJSCSAUPAQH-MRXNPFEDSA-N 432.908 4.003 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)cc1SC 728656470 KVUAIXOSVHWOTK-UHFFFAOYSA-N 429.450 4.406 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1 729053914 UYIPUVYPOZXACK-UHFFFAOYSA-N 434.537 4.162 5 20 IIBD O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(OCc2cccs2)c1 731512482 WRDDSNPQPJZPKE-HXUWFJFHSA-N 438.461 4.198 5 20 IIBD O=C(O[C@H](c1cncc(F)c1)C1CCCCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 731774492 LSEIZBYWULDKNQ-FQEVSTJZSA-N 425.420 4.188 5 20 IIBD COc1cccc(COC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 733006003 DEULDLSIBYDEDO-UHFFFAOYSA-N 441.827 4.261 5 20 IIBD O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1cccc(OCc2cccnc2)c1 733688075 IOIUXHLLUMFOEI-UHFFFAOYSA-N 448.479 4.037 5 20 IIBD CCc1ccc(OC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)c([N+](=O)[O-])c1 734737280 NBARQGVMZZIIAL-UHFFFAOYSA-N 441.490 4.263 5 20 IIBD CC[C@@H](Cc1cccc(Br)c1)C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] 735358197 RXTYDDZOAQWTLN-AWEZNQCLSA-N 435.274 4.108 5 20 IIBD CC(C)CC(=O)N[C@H](C(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 735601502 XFHBZDIDFACKLC-NRFANRHFSA-N 437.452 4.197 5 20 IIBD CC(C)CCSc1ccc(C(=O)O[C@@H]2CCN(CC(F)(F)F)C2=O)cc1[N+](=O)[O-] 735704917 HZCZGCSLILSZEN-CQSZACIVSA-N 434.436 4.053 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCCc2ccc([N+](=O)[O-])cc21 736018180 IOIUEMINAMSFSL-UHFFFAOYSA-N 425.319 4.037 5 20 IIBD CC1(C)[C@@H]2OCC[C@H]2[C@H]1OC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 739367731 VSEQJMSNUAFJQS-UHNFBRDESA-N 426.256 4.058 5 20 IIBD CC1(C)[C@@H](OC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H]2CCO[C@H]21 739369326 YPPZBEQJXMMLJF-HUVFLSCGSA-N 447.491 4.347 5 20 IIBD COc1cc(-c2nc(COC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)cs2)ccc1O 740392081 SKOVXWJPPFHTGI-UHFFFAOYSA-N 428.466 4.454 5 20 IIBD Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c(Cl)c1 743122606 SELDFGMCSGZUBJ-CQSZACIVSA-N 442.859 4.235 5 20 IIBD C[C@@H](C(=O)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccccc1C(F)(F)F 745310228 BMCZTZGHSQSVHV-GFCCVEGCSA-N 438.358 4.259 5 20 IIBD COc1ccccc1N1C[C@H](C(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)CC1=O 745345051 YPMOUUPEHVNVSC-OAHLLOKOSA-N 443.887 4.053 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 747418743 MEFNIANWNOBUCU-AEFFLSMTSA-N 426.366 4.481 5 20 IIBD COc1cc(COC(=O)Cc2coc3cc(F)ccc23)c([N+](=O)[O-])cc1OC(F)F 748228589 GWALUAVUUHEXLI-UHFFFAOYSA-N 425.315 4.376 5 20 IIBD Cc1ccsc1[C@H]1C[C@H]1C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 748451565 QYRXDEGXCIXGKC-NWDGAFQWSA-N 428.388 4.269 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)c1nccc2ccccc12)c1cccc([N+](=O)[O-])c1 748837593 DLCPEXSNFNAPST-IBGZPJMESA-N 433.464 4.385 5 20 IIBD O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1ccnc(OCc2ccccc2)c1 750433880 CZUPOURYWUFUIW-UHFFFAOYSA-N 448.479 4.037 5 20 IIBD COc1ccc(CN(C)C(=O)[C@@H](OC(=O)c2cccc(Cl)c2[N+](=O)[O-])C(C)C)cc1 750532886 JBJIJLOSXKJXFU-IBGZPJMESA-N 434.876 4.097 5 20 IIBD CC(C)(C)c1ccc(C(=O)Nc2ccc(CN3C(=O)CSC3=O)cc2)cc1[N+](=O)[O-] 751130647 OMEPVVZIQNECAH-UHFFFAOYSA-N 427.482 4.340 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 751278449 FFDCFNDLVRPMCC-UHFFFAOYSA-N 448.353 4.256 5 20 IIBD Cc1onc(-c2cccc(Br)c2)c1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 751928277 QNZUITFGFSSSMY-UHFFFAOYSA-N 445.225 4.360 5 20 IIBD CO[C@@H]1Cc2ccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3Cl)cc2C1 753039336 AUWIOWOWXOQVNZ-CYBMUJFWSA-N 425.666 4.377 5 20 IIBD CC(C)[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 755030422 RBVTXGIEEOYSPD-GOSISDBHSA-N 436.306 4.408 5 20 IIBD O=[N+]([O-])c1cc2c(c(CN(Cc3ccccc3)C[C@H](O)c3ccsc3)c1)OCOC2 756899153 ANRVQPIXVRDNES-NRFANRHFSA-N 426.494 4.259 5 20 IIBD Cc1ccc(-c2cncc(C(=O)OCC3CCN(c4ncccc4[N+](=O)[O-])CC3)c2)cc1 757878670 AOXUKVAVGQFMPV-UHFFFAOYSA-N 432.480 4.434 5 20 IIBD COc1ccc(C(C)(C)CNC(=O)c2cccc([N+](=O)[O-])c2Br)cc1OC 758306067 JUSPDPKURJBYQZ-UHFFFAOYSA-N 437.290 4.082 5 20 IIBD COC1CCC(CC(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 758606308 BFMZYFPFIRCTMO-LKSINWNRSA-N 432.395 4.079 5 20 IIBD Cc1cnn(Cc2ccccc2F)c1NC(=O)c1cccc([N+](=O)[O-])c1Br 759195184 HMAWNNBHXBLYSR-UHFFFAOYSA-N 433.237 4.302 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)O[C@H](C)c2noc(C)n2)cc1[N+](=O)[O-] 759498209 SVCKBTGPFZQODH-LLVKDONJSA-N 427.438 4.157 5 20 IIBD O=C(O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccc(NC(=O)c2cccs2)cc1 759931261 LMGSHYQQVLZHHU-SJORKVTESA-N 440.481 4.446 5 20 IIBD Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c(Cl)c1 763852514 DNZLHIXYHCHNTD-CQSZACIVSA-N 442.859 4.235 5 20 IIBD COc1cc(C(=O)N2CCC(O)(c3ccccc3C(F)(F)F)CC2)cc([N+](=O)[O-])c1C 765081454 XFSHWEIGFQFMLG-UHFFFAOYSA-N 438.402 4.054 5 20 IIBD CNc1c(C(=O)OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cccc1[N+](=O)[O-] 765522475 ONADJZVHCXLMIF-UHFFFAOYSA-N 431.754 4.104 5 20 IIBD O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 765617602 KZOTTYUOKBZYOB-UHFFFAOYSA-N 433.386 4.219 5 20 IIBD CC(C)(C)OC(=O)N1CCC(CS[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 767219767 RJCJRJJVGHVSHA-GOSISDBHSA-N 435.546 4.080 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)C1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 769313467 NWLCNLMQVYBKQF-ZDUSSCGKSA-N 442.354 4.483 5 20 IIBD Cc1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)ccc1NC(=O)OC(C)(C)C 772443100 QAOZUQRJYFOZKN-UHFFFAOYSA-N 438.444 4.288 5 20 IIBD O=C(O[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1sc(Br)cc1[N+](=O)[O-] 773606208 QYLJHXRBWVUNGE-NSHDSACASA-N 445.678 4.035 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1cc2c(cc1F)NC(=O)CC2 775087409 QDDIKEOUWVHGDQ-UHFFFAOYSA-N 446.456 4.159 5 20 IIBD O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(-n2cnc3ccccc32)nc1 775240572 MAZZSFBKZLAKEG-UHFFFAOYSA-N 441.403 4.341 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)Nc2cccc(C)c2F)cc1 775807098 CCCIJWQOGROJCT-UHFFFAOYSA-N 444.440 4.371 5 20 IIBD CSc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)c1[N+](=O)[O-] 777080948 YGIKRRCOKLLRBE-AWEZNQCLSA-N 429.498 4.101 5 20 IIBD O=C(OCc1noc(-c2ccc(F)cc2F)n1)c1ccc2[nH]c3ccccc3c(=O)c2c1 781260192 SLFFCUBNCZSHRP-UHFFFAOYSA-N 433.370 4.367 5 20 IIBD O=C(Nc1ccc(Oc2ncnc3ccc([N+](=O)[O-])cc23)cc1)c1cccc([N+](=O)[O-])c1 782133288 LISYDBLSBQCAHM-UHFFFAOYSA-N 431.364 4.491 5 20 IIBD O=C(NCc1ccc(CN2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1Br 782163893 LUBWVQYUCFYJTI-UHFFFAOYSA-N 432.318 4.273 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)/C=C\c2cncc(F)c2)c2ccccc2)c([N+](=O)[O-])c1 785860197 YHUUCYLSRALWOF-XGEAVTJYSA-N 435.411 4.374 5 20 IIBD C[C@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccc(N2CCCCC2)cc1 785951033 VYKHBINWOJJMKL-HNNXBMFYSA-N 445.903 4.351 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccc(NC(=O)NCc2ccco2)cc1 790507200 BEOLMHDORZDLSJ-UHFFFAOYSA-N 446.822 4.483 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCO[C@H](C)C2)cc1 790532859 FKSXQTLWPGNEJR-GFCCVEGCSA-N 434.290 4.143 5 20 IIBD CC[C@H](NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)c1c(C)noc1C 790797193 PLMBHQFYQFCURQ-HNNXBMFYSA-N 437.294 4.181 5 20 IIBD CN(C)c1cc(F)c(C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)cc1[N+](=O)[O-] 791210052 SQAFXNFDGVUOPQ-UHFFFAOYSA-N 440.406 4.444 5 20 IIBD C[C@H](C(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F 794036735 FEUKVWZRKIDUCG-FUHWJXTLSA-N 443.475 4.002 5 20 IIBD C[C@@H](Nc1ccc(F)cc1OC1CCOCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 794742164 ROJAWCLORPLTOI-GFCCVEGCSA-N 437.855 4.384 5 20 IIBD C[C@@H](C(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CCO2)c1cccc([N+](=O)[O-])c1 794827868 QHSHYPBVZDJDTO-OAHLLOKOSA-N 441.484 4.467 5 20 IIBD COc1c(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cccc1[N+](=O)[O-] 796308900 GZGFOCRPWJFLBQ-SECBINFHSA-N 446.765 4.460 5 20 IIBD O=C(COC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 801896964 BHVFKYMXOWLUGZ-OAHLLOKOSA-N 434.729 4.460 5 20 IIBD O=C(NCc1cccc2cc[nH]c12)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 807164749 PPOYMJFADKHISL-UHFFFAOYSA-N 429.274 4.107 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Oc2cccc(Oc3cnccn3)c2)c(Cl)cc1Cl 809839944 MTWJXNCKGWCMFW-UHFFFAOYSA-N 442.236 4.252 5 20 IIBD CNC(=O)c1cc(Oc2ccc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2F)ccn1 810922512 JCHRXAHULNKBGS-UHFFFAOYSA-N 444.806 4.187 5 20 IIBD CSc1ccc(C(=O)OCC(=O)c2ccc(C(F)(F)F)nc2Cl)cc1[N+](=O)[O-] 811030363 BEXHIVIXYIKTJP-UHFFFAOYSA-N 434.779 4.424 5 20 IIBD O=C(O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)C1(Cc2cccc(F)c2)CCOCC1 816031332 UOBLUZYZXDBHDL-IBGZPJMESA-N 446.450 4.034 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cnn(-c2ccccc2)c1C1CC1 913335579 DCUSSZNSKNWADP-UHFFFAOYSA-N 431.408 4.065 5 20 IIBD Cc1ccc(C(=O)C2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)CC2)c(C)c1 914867660 XHSGYSPSUIHOIX-UHFFFAOYSA-N 425.441 4.163 5 20 IIBD O=C(NCc1ccc(OCc2ccccn2)cc1)c1ccc(Br)c([N+](=O)[O-])c1 917755877 KRDWIGVGMIEWCB-UHFFFAOYSA-N 442.269 4.261 5 20 IIBD O=C(Nc1ccc(NS(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])cc1Cl)c1ccco1 918167071 ZGJCHEAJSDJVRI-UHFFFAOYSA-N 439.808 4.033 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCc1ccc(-c2nc3ccccc3s2)o1 918194602 VAWWKRWRPABSBG-UHFFFAOYSA-N 433.442 4.082 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCc1ccc(N2CCCCC2)cc1 920805014 DIROWWARHOSUBX-INIZCTEOSA-N 431.920 4.365 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)OCc1csc(-c2ccc(C(F)(F)F)cc2)n1 920907408 YDNAHTKLIZESTJ-UHFFFAOYSA-N 440.403 4.376 5 20 IIBD O=C(CC(c1ccccc1)c1ccccc1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1115897943 WSEHGBGOXFZBCO-UHFFFAOYSA-N 429.520 4.461 5 20 IIBD O=[N+]([O-])c1ccccc1OCc1nnc(C2=Cc3cc(Br)ccc3OC2)o1 1117190021 JNXMTUJASIDEAU-UHFFFAOYSA-N 430.214 4.252 5 20 IIBD O=C(NCc1ccc(-n2cnc3ccccc32)nc1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 1261238111 QZWLLCYZYQLLHH-UHFFFAOYSA-N 441.369 4.278 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1SC 1318270082 IOOWUIAIZLEBDR-ZDUSSCGKSA-N 426.498 4.221 5 20 IIBD CSc1cccc(C(=O)Nc2nc(-c3ccc(CNC(C)=O)cc3)cs2)c1[N+](=O)[O-] 1320739440 GNEVXMGVJAGEJW-UHFFFAOYSA-N 442.522 4.329 5 20 IIBD COc1c(-c2nc([C@H](NC(=O)OC(C)(C)C)c3ccccc3)no2)cccc1[N+](=O)[O-] 1321113735 OTDQQHSQCMAOQD-MRXNPFEDSA-N 426.429 4.268 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCc2ccc(-c3nnco3)cc2)cc1[N+](=O)[O-])c1ccccn1 1324386772 KCPPCQHYICZARH-OAHLLOKOSA-N 444.451 4.143 5 20 IIBD Nc1c(C(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)cc(Br)cc1[N+](=O)[O-] 1327166823 FSNIXBZMHBQFTM-HZPDHXFCSA-N 428.286 4.400 5 20 IIBD COc1cc(C(=O)Nc2ccc(C3(NC(=O)C4=CCCC4)CCC3)cc2)ccc1[N+](=O)[O-] 1792164017 PYBADRPRKPIHEJ-UHFFFAOYSA-N 435.480 4.461 5 20 IIBD Cc1ccccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(Cl)cc1[N+](=O)[O-] 1793079653 VOKDFANRKIDPRF-REPLKXPHSA-N 441.915 4.051 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc2ccoc2c1 1793940723 OTCNELSCXFPDOE-WKCHPHFGSA-N 447.491 4.226 5 20 IIBD C[C@@H]1CCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 1797923040 SAGBQGYAWCSGJD-YRHQEJDOSA-N 441.553 4.498 5 20 IIBD Cc1ccc([C@@H](C)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2ccc(C)c([N+](=O)[O-])c2)cc1 1800140173 VJFULRMJOKUIKE-TWHAJKEOSA-N 449.551 4.196 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCCC2(CCN(C(=O)c3c(F)cccc3Cl)CC2)C1 1804651444 RSVNSASCNFATKK-UHFFFAOYSA-N 449.866 4.139 5 20 IIBD Cc1ccc(C(=O)N2CCCC3(CCN(C(=O)/C=C/c4ccccc4[N+](=O)[O-])CC3)C2)o1 1806255923 ARMXACSRVTUHGR-CSKARUKUSA-N 437.496 4.054 5 20 IIBD C[C@@H]1CCC[C@@H]1C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)n[nH]1 1814967986 QVDXAEFSUZLILL-FVRMZWEHSA-N 441.488 4.053 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)cc([N+](=O)[O-])c1 10321809 SYPDCENLUPDNGV-UHFFFAOYSA-N 430.420 4.339 5 20 IIBD CCOC(=O)c1[nH]c(C)c(C(=O)CSc2nc3cc4ccccc4cc3c(=O)n2C)c1C 10670359 MZRLEERNSDNBHV-UHFFFAOYSA-N 449.532 4.183 5 20 IIBD COc1ccc(-c2ccc(/C=C3\NC(=S)N(c4ccccc4C)C3=O)o2)c([N+](=O)[O-])c1 15282521 KGQVPWCQQQSYLL-BOPFTXTBSA-N 435.461 4.434 5 20 IIBD O=C(COC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)NCCCSc1ccccc1 18549014 YAFRMXOJUOCRCN-UHFFFAOYSA-N 430.507 4.265 5 20 IIBD O=C(Nc1ccc2cn[nH]c2c1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 29370815 IZDQAPNKMKMXDR-UHFFFAOYSA-N 433.390 4.345 5 20 IIBD Cc1c(C(=O)Nc2ccc(OCC(C)C)c(Cl)c2)nnn1-c1cccc([N+](=O)[O-])c1 30511937 GIQHDYJKULEDAL-UHFFFAOYSA-N 429.864 4.424 5 20 IIBD O=C(Nc1nc(-c2c(F)cccc2F)cs1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 32561559 AMIZBDOKRYPNAK-UHFFFAOYSA-N 427.392 4.435 5 20 IIBD CCOc1cccc2cc([C@@H](C)Nc3ccc(C(=O)N4CCOCC4)cc3[N+](=O)[O-])oc12 61174344 ZYEBWDSAYJVJLO-OAHLLOKOSA-N 439.468 4.385 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(Oc2cc(C)ccc2C)CC1 64631585 PPZSPOPGFNMUKL-UHFFFAOYSA-N 427.501 4.092 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F 110854159 OHONYBOTDPRTKP-HNNXBMFYSA-N 430.404 4.148 5 20 IIBD COc1cc(CN[C@H](C)c2nnc3ccccn23)c([N+](=O)[O-])cc1OCc1ccccc1 237390690 YWBQFAUPZVYSAL-MRXNPFEDSA-N 433.468 4.076 5 20 IIBD O=[N+]([O-])c1ccc(N2CC[C@H](Nc3ccccc3)C2)nc1N1CC[C@@H](Nc2ccccc2)C1 302774718 OHGXWMNKTWIKMS-FCHUYYIVSA-N 444.539 4.371 5 20 IIBD COc1ccc(NC(=O)CCN2CCC(c3c[nH]c4cc(F)ccc34)CC2)c([N+](=O)[O-])c1 303517322 YGSJUCFWQBUDDW-UHFFFAOYSA-N 440.475 4.432 5 20 IIBD O=C(Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)c1n[nH]c2ccc([N+](=O)[O-])cc12 303626232 FAHLQMIXWICIFL-HKBQPEDESA-N 434.477 4.172 5 20 IIBD COC(=O)c1cc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2C)cc([N+](=O)[O-])c1 409453473 OTQPZDMYSMQALR-UHFFFAOYSA-N 433.420 4.194 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc3ccc(Cl)cc3n2)ccc1[N+](=O)[O-] 410403542 RWWILEMRVLNHCK-LJQANCHMSA-N 438.871 4.348 5 20 IIBD O=C(O)[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1ccc(-c2c(F)cccc2F)o1 426735756 VBCROCVZZZPBLR-LJQANCHMSA-N 441.390 4.400 5 20 IIBD Cc1c(NC(=O)C(=O)NCc2ccc(C3CCC3)cc2)cc(Br)cc1[N+](=O)[O-] 430363070 WQRUMYDOKYEERV-UHFFFAOYSA-N 446.301 4.188 5 20 IIBD O=c1[nH]c(/C=C/c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)nc2cnccc12 434940651 YEWMWULLXIFSKC-DHZHZOJOSA-N 436.431 4.249 5 20 IIBD CN(C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(C(F)(F)F)cc1Cl 439125042 SUGZBEUFRCYSIC-UHFFFAOYSA-N 430.766 4.244 5 20 IIBD CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1cc(Cl)ccc1F 444717778 SZXGTMDADQEAFI-UHFFFAOYSA-N 430.661 4.220 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1 444739040 ZUFVGQILPZWGRO-OAHLLOKOSA-N 431.514 4.027 5 20 IIBD CN(Cc1nc(CC(=O)Nc2c(Cl)cccc2Cl)no1)c1ccccc1[N+](=O)[O-] 445363758 GLEYOEXNGLZGOP-UHFFFAOYSA-N 436.255 4.102 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1cccc(NC(=O)c2ccoc2)c1 446139290 QVHWNYRKDBFWPQ-UHFFFAOYSA-N 444.241 4.384 5 20 IIBD O=C(CC1(CC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCCCC1)Nc1nccs1 446886014 DBVMDHUJTNKDAD-UHFFFAOYSA-N 442.541 4.305 5 20 IIBD O=C(C[C@@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccc(F)cc1 448441667 ZUMRSPMDLFBUTD-INIZCTEOSA-N 449.276 4.303 5 20 IIBD O=C(Nc1ccnc(Oc2ccc(F)cc2F)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 448451115 XKJUDONDPCILEQ-UHFFFAOYSA-N 437.362 4.498 5 20 IIBD COCCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCO1)[C@@H]1CC[C@H](C)C1 461863921 GHGWWMKKUQQPLK-DSKINZAPSA-N 443.548 4.064 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC1(c2cccc(F)c2)CCOCC1 462577954 WTONSHGPDRIMJP-UHFFFAOYSA-N 449.287 4.025 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCCOC1CCN(Cc2ccccc2)CC1 463958905 REZVCBOAIDHSNP-UHFFFAOYSA-N 440.544 4.404 5 20 IIBD CCOc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C 464026723 SABUTCMZVOTTGH-GOSISDBHSA-N 427.501 4.452 5 20 IIBD CCCN(C)C[C@H]1CCN(C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)C1 464559259 FPPMSZSPEIKYLY-OAHLLOKOSA-N 434.587 4.315 5 20 IIBD O=C(NCc1cc(Cl)cc(Cl)c1OC(F)F)c1cc2c(cc1[N+](=O)[O-])OCCO2 465013139 HTXLDVFJPRUUOJ-UHFFFAOYSA-N 449.193 4.204 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1cccc(CSc2ccccn2)c1 465168163 RMIRPJFJTILGAE-UHFFFAOYSA-N 437.477 4.235 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1cnn(-c2ncccc2Cl)c1C(F)F 466298637 OSQFCSFEWNPWKS-UHFFFAOYSA-N 442.209 4.350 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCO[C@H](c2cccc(Cl)c2)C1 466304567 BDPRHYHUFFJKCB-KRWDZBQOSA-N 439.693 4.153 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@]1(C)CCCS1 467779454 AHASNVJJIQFTSX-LJQANCHMSA-N 437.543 4.102 5 20 IIBD O=C(NCc1nc(-c2cccc(Br)c2)no1)c1cc2cc([N+](=O)[O-])ccc2o1 468603866 VQUPNMYXALCBPS-UHFFFAOYSA-N 443.213 4.084 5 20 IIBD COc1ccccc1-c1noc(C2CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)CC2)n1 470053487 BNVLUBBRIIQYBO-UHFFFAOYSA-N 447.451 4.155 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 472217999 APZJOCRWQUAPQQ-UHFFFAOYSA-N 441.846 4.499 5 20 IIBD CCOc1ccc(C(=O)CCC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1F 472627466 GBDZYVSTOWWGAZ-UHFFFAOYSA-N 444.459 4.166 5 20 IIBD CCN(C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H](C)c1cccc(C(F)(F)F)c1 472632142 VAAAXVHJOILQJZ-NSHDSACASA-N 427.354 4.301 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)NC1(CO)CCCC1 474053226 BNFBILFTQWDONN-UHFFFAOYSA-N 437.855 4.284 5 20 IIBD Cc1cc(Br)c(F)cc1NC(=O)c1cc([N+](=O)[O-])ccc1SCCO 474164129 LHNHXGCSMKHOQD-UHFFFAOYSA-N 429.267 4.142 5 20 IIBD Cn1cnc([N+](=O)[O-])c1CSc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1 476476442 NOYDLFGGTXNEDI-UHFFFAOYSA-N 445.863 4.112 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NC[C@@H]1CC[C@H](O)C1 476546755 MGOBNAQFTIUCFS-BAMFHHNUSA-N 437.521 4.412 5 20 IIBD C[C@@H](CCc1ccco1)NC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 477034466 PMPGKICZEZZMAG-INIZCTEOSA-N 435.480 4.236 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)N(Cc1cccs1)c1ccc2c(c1)OCCO2 477227568 KXTHNQHXYRHEQD-UHFFFAOYSA-N 428.441 4.343 5 20 IIBD Cc1ccc([C@@H](NCc2ccc([N+](=O)[O-])cc2F)c2cccc(S(C)(=O)=O)c2)cc1 478178028 NVTFGBPMKWADAQ-JOCHJYFZSA-N 428.485 4.325 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC(Cc2cc(Cl)ccc2Cl)CC1 480362719 YSYGNMXGDYIOOX-UHFFFAOYSA-N 425.316 4.278 5 20 IIBD CCn1cc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c(=O)c2cc(Cl)ccc21 482966068 UDPDFGSNAPZOLH-UHFFFAOYSA-N 434.279 4.209 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc(OCc3cccc(F)c3)c(F)c2)cc([N+](=O)[O-])c1 483861000 BPYJTMCTIBANOX-UHFFFAOYSA-N 442.374 4.491 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCNC(=O)c1ccccc1Cl 484498657 FFGJRVPLUMYPGJ-UHFFFAOYSA-N 435.933 4.156 5 20 IIBD CCn1c2ccccc2c2cc(NC(=O)CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc21 484962813 MVSZBXWKBLGJLA-UHFFFAOYSA-N 437.477 4.135 5 20 IIBD CCN(C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H](C)Cc1ccccc1C(F)(F)F 485272154 HXCCMQVVRIOVPO-LBPRGKRZSA-N 441.381 4.171 5 20 IIBD Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)c(=O)n1C 486712511 OMZVVMULEJZVSU-UHFFFAOYSA-N 443.912 4.337 5 20 IIBD CC1(c2ccccc2)CCC(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1 489237410 FORPCXITJUSGHL-UHFFFAOYSA-N 437.496 4.300 5 20 IIBD Cc1c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)nnn1-c1ccc(OC(C)C)cc1 490399957 LRRSEWBVCUVTHE-UHFFFAOYSA-N 435.484 4.076 5 20 IIBD Cc1ccc(Nc2nnc(Sc3cccc(S(C)(=O)=O)c3[N+](=O)[O-])s2)cc1C 497539353 NKRMKPJHFOPXAN-UHFFFAOYSA-N 436.540 4.361 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)cc1[N+](=O)[O-] 497608271 HHLICTLVUZTHGH-MRXNPFEDSA-N 442.896 4.066 5 20 IIBD COc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1Oc1ccc(C)nn1 498800128 USTIJINFLKRBOC-UHFFFAOYSA-N 428.832 4.329 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cc(C(F)(F)F)cnc3O)cc2[N+](=O)[O-])C1 499552786 NKFQRLAROJZWIJ-RYUDHWBXSA-N 438.406 4.449 5 20 IIBD CSc1ccc(C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)cc1[N+](=O)[O-] 500262541 ZHDNTZAZPMEWMC-MRXNPFEDSA-N 437.315 4.293 5 20 IIBD CC(C)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] 500686096 JDRCGWGLXAPGJA-UHFFFAOYSA-N 430.448 4.397 5 20 IIBD Cc1ccc(-n2cnnc2SCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 502006172 JSDIKRNYJNFHCQ-UHFFFAOYSA-N 425.514 4.013 5 20 IIBD COc1cc(C(=O)N[C@H]2CCc3cc(F)ccc32)c([N+](=O)[O-])cc1OCc1cscn1 502741744 PZXIVLWUSWZQGO-KRWDZBQOSA-N 443.456 4.195 5 20 IIBD Cc1c(NC(=O)N2[C@H]3CC[C@H]2CC(O)(Cc2ccc(F)cc2F)C3)cccc1[N+](=O)[O-] 503612712 RKSCNMLVWNVYHI-IRXDYDNUSA-N 431.439 4.314 5 20 IIBD Cc1cccc2[nH]cc(CC(=O)N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)c12 504317938 JMTAHOOIJZDDLL-UHFFFAOYSA-N 446.429 4.295 5 20 IIBD COc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1 507309834 QNSMQAFTPQIWEV-UHFFFAOYSA-N 426.494 4.303 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnn(S(=O)(=O)c3c(Cl)cccc3Br)c2)c1 509208802 GBZBOWZGMNWLFJ-UHFFFAOYSA-N 442.678 4.111 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N1CCC[C@H]1c1ccc(F)cc1 509513268 HCQZLXVFVKWZAO-INIZCTEOSA-N 440.212 4.316 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 509719664 NTYHXIWAJAEMCR-GOSISDBHSA-N 442.491 4.415 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NC2CCN(C(C)(C)C)CC2)c([N+](=O)[O-])c1 510121363 WNIBUGMNTMCFPS-UHFFFAOYSA-N 439.512 4.287 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)N(C)c2ccc(Br)cc2F)cc1[N+](=O)[O-] 511953264 FFQOEAFVEQXPOJ-UHFFFAOYSA-N 437.674 4.283 5 20 IIBD CC[C@](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)(C(=O)OC)c1ccc(Cl)cc1 512290780 ASAJJHJHDHEHBU-OAQYLSRUSA-N 429.860 4.471 5 20 IIBD Cc1csc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)CC2)n1 512958789 OOUJZAXTHHJZEK-UHFFFAOYSA-N 440.550 4.473 5 20 IIBD COc1ccccc1OCc1ccc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)o1 515287765 SGWARXVVOFDAMO-UHFFFAOYSA-N 440.408 4.189 5 20 IIBD CCN1CCN(C[C@H](C)CNCc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 518275952 ZJYXBHAAXHVJDB-HXUWFJFHSA-N 442.629 4.418 5 20 IIBD COc1ccc([C@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)cc1 518826553 ICEIISDEZYBJIY-JOCHJYFZSA-N 439.443 4.210 5 20 IIBD Cc1nc2c(s1)[C@H](N(C)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])CCC2 520337450 WGMVQLCTTMSPBF-OAHLLOKOSA-N 429.420 4.450 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cccc(CSc2ccccn2)c1)c1cccc([N+](=O)[O-])c1 523080257 BVTNLJXTHUTJLU-HNNXBMFYSA-N 436.493 4.098 5 20 IIBD Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 524808846 FPVHRZQCXJOJQP-UHFFFAOYSA-N 448.317 4.052 5 20 IIBD COc1cccc(Oc2ncccc2CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])c1 525480545 ATNSQDNSOBODJS-UHFFFAOYSA-N 425.466 4.443 5 20 IIBD COC(=O)c1ccc(Oc2ncc([N+](=O)[O-])cc2Br)c(Br)c1 530663179 WMBJVASCSPVUAX-UHFFFAOYSA-N 432.024 4.094 5 20 IIBD CO[C@@H](C)c1nc(CN2CCCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)cs1 531470374 MBWKKDRSAOEVSF-ZDUSSCGKSA-N 444.479 4.490 5 20 IIBD COc1cc(CNc2ccc3c(c2)CCC(=O)N3C)c([N+](=O)[O-])cc1OCC(F)(F)F 532892378 ZRGCPTYQDLXTLN-UHFFFAOYSA-N 439.390 4.066 5 20 IIBD COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 536777975 NPUHCNXSBZSZLK-KZULUSFZSA-N 442.390 4.051 5 20 IIBD COC1CCN(C2(CNC(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)CCCC2)CC1 539292605 LQENATNNRJYCJR-UHFFFAOYSA-N 435.590 4.249 5 20 IIBD CCN(Cc1cccc(-c2ccncc2)c1)C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 539558355 CXPMUIVQGQFUFO-UHFFFAOYSA-N 446.507 4.156 5 20 IIBD O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 539751625 WONPTAWHTRHZKJ-UHFFFAOYSA-N 447.856 4.007 5 20 IIBD COc1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 543010267 CDRHCPCZAQGNMV-OAHLLOKOSA-N 438.267 4.212 5 20 IIBD COC(=O)c1ccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c(OC(F)F)c1 544073063 KVZOVPFUMJLJGV-UHFFFAOYSA-N 446.815 4.367 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2cccnc2OCC(F)F)no1 546549567 WQNSXWRHKZKBFP-VIFPVBQESA-N 426.763 4.477 5 20 IIBD C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](c1ccc(Cl)cc1)c1ccn(C)n1 546575782 OZZWOOYQEDUGHA-SPLOXXLWSA-N 427.892 4.078 5 20 IIBD CN(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c1 551333095 UTPLVDCIRQNBKD-UHFFFAOYSA-N 441.669 4.357 5 20 IIBD O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC[C@H](c1ccccc1)c1c[nH]c2ccccc12 551818784 WXWVZLHNVNYLBQ-PZJWPPBQSA-N 431.492 4.238 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)S(=O)(=O)c1ccc(Cl)cc1Cl 555095007 MWOVGYMJOVXTCR-VIFPVBQESA-N 428.253 4.487 5 20 IIBD CN(CC1(c2ccccc2)CC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 555517939 FESHWHCONKZSFR-SFHVURJKSA-N 433.512 4.058 5 20 IIBD NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 557693355 MPIHOAUTEVFETE-CABCVRRESA-N 429.420 4.009 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1C 559978729 AXIHTFDPWZEOFG-UHFFFAOYSA-N 440.500 4.106 5 20 IIBD Cc1c(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])nnn1Cc1ccc(C(F)(F)F)cc1 561706383 GQAALAXTQLSQPL-UHFFFAOYSA-N 447.417 4.227 5 20 IIBD CN(CCn1cc(Br)cn1)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 564243858 CEEHPKGSIRTMNM-UHFFFAOYSA-N 444.289 4.070 5 20 IIBD C[C@@H](NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1cccc(OCc2ccccn2)c1 568577132 YJABAGDMOPMHJE-QGZVFWFLSA-N 448.479 4.234 5 20 IIBD COc1ccc2cc(CNc3ccc([N+](=O)[O-])cc3S(=O)(=O)N3CCCC3)ccc2c1 589960091 QXHIJWVZKAJEMZ-UHFFFAOYSA-N 441.509 4.153 5 20 IIBD CCCCc1c(C)nc2nc(S[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])nn2c1C 603917903 LTYMWTKQZKFMIY-CQSZACIVSA-N 428.518 4.111 5 20 IIBD Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 603970267 OQRJKHPCSLNOEY-UHFFFAOYSA-N 447.495 4.404 5 20 IIBD CCc1cccc(Oc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3OC)cn2)c1 603979221 MHJFKGRCZNSCNX-UHFFFAOYSA-N 429.454 4.154 5 20 IIBD Cc1cc(COc2ccc(C(=O)NCc3cccc([N+](=O)[O-])c3)cc2Br)on1 604470520 HSDASWGLAPWOBJ-UHFFFAOYSA-N 446.257 4.163 5 20 IIBD CC(=O)N(c1ccc(F)cc1)c1nc(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)cs1 608869853 STIZBZGIQQODCQ-UHFFFAOYSA-N 438.444 4.182 5 20 IIBD CCOc1ccc(CCC2CCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)CC2)cc1 608935566 YVJOLAZDPSLZBQ-UHFFFAOYSA-N 440.496 4.250 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCCOc2cccc(Cl)c2Cl)cc1SC 609126653 UNGGMHIYYMEISI-UHFFFAOYSA-N 431.297 4.441 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCCCCc1nc(-c2cccnc2)cs1 609153354 WXPLUXDGJDJMSB-UHFFFAOYSA-N 435.509 4.207 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ccc(NC2CCCCC2)cc1 609392123 NXQXWMRZSUQGPC-UHFFFAOYSA-N 430.892 4.361 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cccc(C[S@@](=O)c2ccccc2)c1 609653468 OYXNNIIMLNGQOI-WJOKGBTCSA-N 433.489 4.496 5 20 IIBD NC(=O)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CCCC1 609668416 PGYCQLCYNZQGIZ-UHFFFAOYSA-N 433.917 4.175 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)cc1SC 609696222 PYDJNTASQQKKAV-HNNXBMFYSA-N 429.542 4.281 5 20 IIBD Cc1ccc(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1S(C)(=O)=O 609755717 QTFCSFNPLYNYNC-UHFFFAOYSA-N 426.450 4.351 5 20 IIBD CC(C)c1noc(CCC(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)n1 609817113 NMFIJELZZGBPGL-UHFFFAOYSA-N 436.428 4.118 5 20 IIBD CN1CCN(c2ccc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)c(C(F)(F)F)c2)CC1 609855337 NITLCSXQJNWCGH-UHFFFAOYSA-N 442.825 4.271 5 20 IIBD CC[C@H](c1ccncc1)N(C)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 610010553 MBWVJCDETWQWNI-MRXNPFEDSA-N 425.411 4.213 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 610046536 UIIPQSLDZIDMQN-HXUWFJFHSA-N 431.920 4.142 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3ccn(CCN(C)C)c3c2)cc1SC 610111608 HBUQYFHRQXDSIM-UHFFFAOYSA-N 428.514 4.094 5 20 IIBD COC(=O)c1sc2[nH]c(/C=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc(=O)c2c1C 610413890 FMOYTNTVVKWKAL-NTMALXAHSA-N 437.433 4.418 5 20 IIBD CN(C(=O)c1nc(N2CCCC2)ncc1Cl)c1nc(-c2ccccc2[N+](=O)[O-])cs1 611400732 AMJWSKOJHYVPAX-UHFFFAOYSA-N 444.904 4.039 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(Cc2c[nH]c3cc(Cl)ccc23)no1 612921612 HBMZSHGYFQSPHL-NSHDSACASA-N 425.832 4.194 5 20 IIBD COc1ccc(CN(C)C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1OC 681946329 AECBRUAHNSMZRP-UHFFFAOYSA-N 438.430 4.249 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1csc(-c2c(F)cccc2F)n1 726218594 IFWQISAWZNWEMO-UHFFFAOYSA-N 444.375 4.404 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1I)c1ccccc1[N+](=O)[O-] 726326245 OTYSUEKIUMKLEM-SECBINFHSA-N 442.165 4.026 5 20 IIBD O=C(Nc1cccc(COc2ccc3c(c2)OCO3)c1)c1cc(F)c(F)cc1[N+](=O)[O-] 727708039 IUSKGOOAQUYATA-UHFFFAOYSA-N 428.347 4.433 5 20 IIBD C[C@@H](c1ccco1)N(C(=O)c1ccc(I)c([N+](=O)[O-])c1)C1CC1 728152103 PNYUWGOJFZMNDZ-JTQLQIEISA-N 426.210 4.158 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCc2nc3ccc(Cl)cc3[nH]2)CC1 731874747 SOQUSQAOESVADP-UHFFFAOYSA-N 427.892 4.291 5 20 IIBD O=C(O[C@H]1CCN(c2ccccc2Cl)C1=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 732333788 VICRULYOPOWTSO-KRWDZBQOSA-N 443.868 4.334 5 20 IIBD O=C(O[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1c(Cl)cccc1[N+](=O)[O-] 733828388 VAWHJWPFNLWSRB-AWEZNQCLSA-N 444.749 4.109 5 20 IIBD COc1cc(C(=O)Nc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)ccc1[N+](=O)[O-] 734109535 CQXHQFNJJOPQPR-UHFFFAOYSA-N 427.457 4.149 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)O[C@H](C)c2ccc(OC(F)F)cc2)ccc1[N+](=O)[O-] 734729357 MUNDOQVULKNUKM-AUUYWEPGSA-N 448.422 4.414 5 20 IIBD CC(C)[C@@H](OC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)C(=O)Nc1ccccc1Cl 735353211 DAONHHJKXNLWRR-LJQANCHMSA-N 443.843 4.322 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)Nc1ccc(Cl)cc1 740409216 BPPOJCDRCKPMSO-SECBINFHSA-N 427.638 4.195 5 20 IIBD O=C(OCC1CCN(CC(F)(F)F)CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 741117094 PMKICVJFTSTBBV-UHFFFAOYSA-N 429.420 4.149 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)C[C@@H](C)c1ccccc1C(F)(F)F 745217949 REPRTFWENDYMQO-GFCCVEGCSA-N 440.374 4.298 5 20 IIBD COC(=O)[C@@](C)(NCc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(Br)c1 746674979 YXPJAZQLPHGZTI-KRWDZBQOSA-N 427.682 4.189 5 20 IIBD CC(C)(C)OC(=O)Nc1ccccc1C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 748332280 JEVCBJNFHICLCI-UHFFFAOYSA-N 440.412 4.349 5 20 IIBD Cc1c(C(=O)O[C@@H](C(=O)NC2CCCCCC2)C(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748948302 PHCKEQRPXSHYQA-LJQANCHMSA-N 435.477 4.140 5 20 IIBD COc1cc(CN2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC(F)F 749511332 ODOXQRQZEUODOB-SJLPKXTDSA-N 440.418 4.432 5 20 IIBD O=C(CCc1cccc(Br)c1)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 750429573 YZOCTXZHHCNKJO-UHFFFAOYSA-N 448.317 4.145 5 20 IIBD Cc1ccc(-c2csc(NC(=O)c3c4c(cc([N+](=O)[O-])c3[N+](=O)[O-])OCCO4)n2)s1 751219079 NIGYASJLMFSEBV-UHFFFAOYSA-N 448.438 4.020 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@](COC(=O)c2cc(F)cc([N+](=O)[O-])c2)(C(F)(F)F)C1 751885354 REEMPKKLDVJPQB-QGZVFWFLSA-N 436.358 4.080 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 752370064 JEVDFIFOZYCZND-UHFFFAOYSA-N 448.445 4.176 5 20 IIBD COCCOc1c(Cl)cccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl 753066514 RHSXYFAUFLETEV-UHFFFAOYSA-N 435.285 4.036 5 20 IIBD Cc1noc(C)c1[C@@H](C)CC(=O)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 753964383 ODQPIYPHJHIUMU-KXBFYZLASA-N 443.500 4.321 5 20 IIBD COC(=O)c1ccc([C@H](OC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C(F)(F)F)cc1 754365086 JPMAZQQHFILGSE-QFYYESIMSA-N 429.322 4.471 5 20 IIBD O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(F)cc([N+](=O)[O-])c1Br 754978429 RARZZXFWLOAVLC-UHFFFAOYSA-N 437.143 4.325 5 20 IIBD Cc1cc(Br)ncc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 755359606 NSYLAESKLLJAIU-UHFFFAOYSA-N 429.068 4.004 5 20 IIBD C[C@@H](CSc1ccc(F)cc1)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 756729115 QSVUGFRMQCCMCS-NSHDSACASA-N 426.853 4.297 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)NCc3cc([N+](=O)[O-])ccc3Cl)cc2F)C[C@H](C)O1 756816092 TYCXBJUXXXSGMQ-STQMWFEESA-N 436.871 4.323 5 20 IIBD CCCN(C(=O)c1cccc([N+](=O)[O-])c1Br)[C@H](C)C(=O)Nc1ccccc1 758180033 VJWPWDOUWFQPGT-CYBMUJFWSA-N 434.290 4.237 5 20 IIBD COc1cc(S(=O)(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)ccc1[N+](=O)[O-] 759146778 KRCZVFRMZHOOSZ-UHFFFAOYSA-N 425.894 4.048 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(-c2cn3cccnc3n2)c1 761890158 YCCCKLXIOWADEJ-UHFFFAOYSA-N 443.872 4.067 5 20 IIBD Cc1c(C(=O)Nc2nnc([C@H]3CCCc4ccccc43)s2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 762511554 HSTPKOLJYBGXNO-HNNXBMFYSA-N 439.453 4.383 5 20 IIBD C[C@@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 762978028 AQXKXGKWLSNBTJ-LLVKDONJSA-N 444.375 4.274 5 20 IIBD O=C(N[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1)c1cc2ccccc2o1 764283705 URAHCBXOJCRSRW-OAHLLOKOSA-N 427.844 4.029 5 20 IIBD O=C(NCCc1ccc(Br)cc1F)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 764399380 FTAGWHPFWVGOKV-UHFFFAOYSA-N 436.281 4.413 5 20 IIBD CNC(=O)c1cc(Oc2cccc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2)ccn1 766726570 RWDKZWJSVINGEW-UHFFFAOYSA-N 427.800 4.014 5 20 IIBD CC(C)(C)OC(=O)N(CC1CC1)C1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 768721783 NKUYDUIATOQAHC-UHFFFAOYSA-N 437.924 4.500 5 20 IIBD Cc1cccc(C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c1NC(=O)c1ccccc1F 769609236 ZKDJLZQXAYURHV-UHFFFAOYSA-N 447.426 4.101 5 20 IIBD C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)CCO1 770267465 GAWREJTWWPFXQC-RXVVDRJESA-N 437.540 4.351 5 20 IIBD CC(C)c1ncc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)s1 773054877 PZKGHADNVAKCNI-UHFFFAOYSA-N 428.436 4.156 5 20 IIBD CC(C)c1noc(CCC(=O)O[C@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])n1 774366131 FQUBFXCMRAIEME-MRXNPFEDSA-N 440.294 4.228 5 20 IIBD Cn1c(SC[C@H](O)c2ccc([N+](=O)[O-])cc2)nc2scc(-c3ccccc3)c2c1=O 776271545 LVDQPIHKGZDBGO-KRWDZBQOSA-N 439.518 4.396 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3cc(C)n([C@H](C)C4CC4)n3)CC2)ccc1[N+](=O)[O-] 777327558 YTRPEYKGDJZEGQ-MRXNPFEDSA-N 442.516 4.295 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)Nc1cccc(C(F)(F)F)c1 778889777 BPVHQHXYLZQZQE-UHFFFAOYSA-N 434.273 4.011 5 20 IIBD C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781256018 JGEHSSQQASJORV-CYBMUJFWSA-N 448.425 4.094 5 20 IIBD C[C@H](OC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C(=O)N(C)C1CCCCC1 781256972 IIITXESUCGPNFQ-ZDUSSCGKSA-N 442.462 4.296 5 20 IIBD CC(=O)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 781259545 GJKYTYQJTRCIIH-HNNXBMFYSA-N 428.444 4.068 5 20 IIBD Cc1cccc([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3I)C2)c1 784513406 MLDQLBIZLQGARZ-AWEZNQCLSA-N 436.249 4.138 5 20 IIBD Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N(C)c1ccc2ccccc2n1 784737135 JOVJBSPGLFRFNX-UHFFFAOYSA-N 436.287 4.039 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1cc(Br)cnc1Cl 787952810 CZNUZFGXXGQVBJ-UHFFFAOYSA-N 449.486 4.349 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2cnc(Cl)c(Br)c2C)c1[N+](=O)[O-] 790402131 CCQQGYZCEKZMRK-UHFFFAOYSA-N 434.699 4.132 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Br)c1nc(Br)ccc1F 791607171 OPJXCGGIQNAAPB-UHFFFAOYSA-N 434.015 4.011 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1C(=O)c1ccc(F)c(F)c1 792118313 CIRSWCLYIZJHFB-UHFFFAOYSA-N 442.330 4.369 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(N[C@H](c3cncc(Br)c3)C3CC3)CC2)cc1 793567998 NELCCUAWEAPIIU-FQEVSTJZSA-N 431.334 4.462 5 20 IIBD O=[N+]([O-])c1cc(Br)c(F)cc1OCc1ccc(Cl)cc1-n1cncn1 794443076 XYJCWPGLRVAZSS-UHFFFAOYSA-N 427.617 4.310 5 20 IIBD Cc1ccnc2c(OS(=O)(=O)c3cc(Br)c(F)cc3[N+](=O)[O-])cccc12 795933407 RTGDEEROVIHPFY-UHFFFAOYSA-N 441.234 4.121 5 20 IIBD CC(C)(C)OC(=O)NCc1nc(COc2ccc(-c3ccccc3)cc2[N+](=O)[O-])no1 799883471 DLAPUNSFTWVNLD-UHFFFAOYSA-N 426.429 4.249 5 20 IIBD CC(C)(C)OC(=O)NC[C@]1(C)CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 800878607 CFENIIUTHWNDAD-KRWDZBQOSA-N 448.398 4.263 5 20 IIBD Cc1cccc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)c1NC(=O)c1ccccc1F 802905148 CSEBWBKTPLYIME-UHFFFAOYSA-N 433.399 4.423 5 20 IIBD CC(=O)c1cc(N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)ccc1[N+](=O)[O-] 804425581 QREXYBYGAGMRGW-UHFFFAOYSA-N 438.362 4.051 5 20 IIBD Cc1cc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(F)cc1Br 806812027 DUNOEIFJDDVVGB-UHFFFAOYSA-N 437.269 4.159 5 20 IIBD Cc1cc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(F)cc1Br 809275330 ZPDTUCVGXJRZFJ-UHFFFAOYSA-N 426.198 4.284 5 20 IIBD O=[N+]([O-])c1ccc(N2CCOCC2)c(-c2nc(-c3ccccc3OC(F)(F)F)no2)c1 809291074 IFQCTOQCFUQJTD-UHFFFAOYSA-N 436.346 4.047 5 20 IIBD C[C@@H](N[C@H](C)c1ccc(N2CCCCC2=O)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 810127743 FPYAJQPTILIKDJ-HUUCEWRRSA-N 444.919 4.443 5 20 IIBD O=C(Cc1ccccc1[N+](=O)[O-])NS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 810965995 WUEQEEWNUQRHNZ-UHFFFAOYSA-N 446.868 4.088 5 20 IIBD O=C(COC(=O)c1ccccc1OCc1cscn1)Nc1cc([N+](=O)[O-])ccc1Cl 811855216 MPQVUQUSTJQYNP-UHFFFAOYSA-N 447.856 4.079 5 20 IIBD Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 812989989 VSHZKPUCINBBQT-HNNXBMFYSA-N 440.308 4.364 5 20 IIBD CSc1ccc(C(=O)OC[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)cc1[N+](=O)[O-] 813156945 GDHWTODAVAEDKX-ZDUSSCGKSA-N 446.472 4.366 5 20 IIBD CC[C@H](NC(=O)COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 822594857 XQLXQEJRZFPYOE-SFHVURJKSA-N 445.903 4.273 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)Oc2ccc([N+](=O)[O-])cc2Cc2ccccc2)cc1 914577165 LUMRIYBUKICZCG-UHFFFAOYSA-N 428.422 4.003 5 20 IIBD COc1ccc(OC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])c1 914714114 JNVIWNYRDKNSJY-OAHLLOKOSA-N 439.251 4.120 5 20 IIBD CCOc1ccc(-c2nc(C(=O)O[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])cs2)cc1 914992062 IXGSEOLCPSHBGW-CYBMUJFWSA-N 441.465 4.301 5 20 IIBD COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1OCC(F)(F)F 915196956 WLNUKISOEGBBAI-UHFFFAOYSA-N 439.390 4.397 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 915521190 IFZVEMNFILAKCX-JOCHJYFZSA-N 448.410 4.007 5 20 IIBD Cc1oc(-c2cccs2)nc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 915565671 XRTDHDWSEYIMJA-SNVBAGLBSA-N 435.845 4.457 5 20 IIBD C[C@H](OC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)NC12CC3CC(CC(C3)C1)C2 916523128 FRDOKCZTOWCHLK-ZAJRJVBHSA-N 432.542 4.092 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1nc2c(s1)CCCCCC2 919929939 APPHTSHFHKKFRZ-UHFFFAOYSA-N 446.348 4.274 5 20 IIBD CCCCc1nc(-c2ccc(OS(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2)no1 920316616 ATXLBEPPLIAPLZ-UHFFFAOYSA-N 437.861 4.409 5 20 IIBD O=[N+]([O-])c1cc(Cl)c2ncnc(Sc3nnc(-c4cccnc4)n3C3CC3)c2c1 1117543194 BELDTUNYGGQBPT-UHFFFAOYSA-N 425.861 4.331 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)NC1(c2ccc(NC(=O)c3ccncc3)cc2)CCC1 1787313142 MLDORTWPZDCRBW-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD CC1=C(C(=O)Nc2ccc(C3(NC(=O)c4cc(F)cc([N+](=O)[O-])c4)CCC3)cc2)CCO1 1788328690 QYWZULLYSSJUAN-UHFFFAOYSA-N 439.443 4.176 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3cncs3)CCC2)cc1)c1cc(F)cc([N+](=O)[O-])c1 1790696490 AJIARBOAPTXVHL-UHFFFAOYSA-N 440.456 4.252 5 20 IIBD COc1cc(C(=O)Nc2ccc(C3(NC(=O)CC(C)C)CCC3)cc2)ccc1[N+](=O)[O-] 1792164102 UNMKLGTZDHCRDM-UHFFFAOYSA-N 425.485 4.397 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)[nH]n1)[C@H]1CC=CCC1 1820828148 BRKQGAHLPLDWFX-LIRRHRJNSA-N 441.463 4.119 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccs2)[nH]n1)c1ccc([N+](=O)[O-])cc1F 1821052609 UYDRPRCBWMUUMB-INIZCTEOSA-N 443.460 4.138 5 20 IIBD C[C@@H](C(=O)N1CC2(CCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])C1)c1ccc(Cl)cc1 1845404588 QEVOYWNSKLUAPB-CQSZACIVSA-N 445.878 4.008 5 20 IIBD CCn1c(S[C@H](C)C(=O)NC(=O)Nc2ccccc2)nc2cc3ccccc3cc2c1=O 11061500 LCQQHMAUWLLVOD-OAHLLOKOSA-N 446.532 4.399 5 20 IIBD O=C(NCCc1cnn(-c2ccccc2)c1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 11161514 FKLPCMLAPIRTQC-UHFFFAOYSA-N 441.491 4.365 5 20 IIBD Cc1c(-c2ccccc2)sc2ncn(CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)c(=O)c12 11279058 HTGBYENTLJYKPG-UHFFFAOYSA-N 434.477 4.005 5 20 IIBD C[C@@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 15649471 NBLWJRNMIRHHLG-MRVPVSSYSA-N 431.754 4.033 5 20 IIBD NC(=O)c1ccc(COC(=O)c2oc3ccccc3c2COc2ccccc2)c([N+](=O)[O-])c1 16815214 LAUYYONYCRIGTR-UHFFFAOYSA-N 446.415 4.376 5 20 IIBD COc1ccc(Nc2ccc([N+](=O)[O-])cc2Cl)cc1S(=O)(=O)N1CCCCC1 18900062 FUORWPPEOPEQCC-UHFFFAOYSA-N 425.894 4.175 5 20 IIBD CCOC(=O)c1nc(N(CCc2ccccc2)C(=O)c2ccc([N+](=O)[O-])cc2)sc1C 21825733 GBWIBGCMGPVYMH-UHFFFAOYSA-N 439.493 4.426 5 20 IIBD Cc1cccc(C(=O)Nc2ccccc2C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 21990280 KCBWHYNOGSUQRO-UHFFFAOYSA-N 447.447 4.259 5 20 IIBD Cc1nnc(COC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)o1 23643178 VELBHDPRGJGTFB-UHFFFAOYSA-N 436.468 4.102 5 20 IIBD CC(C)NC(=O)COC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 26426589 HPPFQKBBRDIQJX-UHFFFAOYSA-N 431.495 4.037 5 20 IIBD O=C(Cn1cnc([N+](=O)[O-])c1)Nc1ccc(Sc2ccc(Br)cc2)cc1 26980420 YIYXBLBWITVTPU-UHFFFAOYSA-N 433.287 4.344 5 20 IIBD Cc1ccc(C2=NN(C(=O)COc3ccc([N+](=O)[O-])cc3C=O)[C@H](c3ccco3)C2)cc1 27390979 GZJJQXWRTCYAFF-FQEVSTJZSA-N 433.420 4.065 5 20 IIBD CC(C)(C)c1ccc(C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)cc1[N+](=O)[O-] 29315223 OASABCUIKJWIPJ-UHFFFAOYSA-N 425.894 4.170 5 20 IIBD C[C@@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 33178154 SWICEKIPBANQKC-MRXNPFEDSA-N 449.532 4.123 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(Br)cc2F)cc1[N+](=O)[O-] 45713285 WISSMRMVSDRXBP-UHFFFAOYSA-N 429.267 4.377 5 20 IIBD CCCN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@H](C)C(=O)Nc1ccccc1 60331217 HPSMOAMSKJEKEN-LJQANCHMSA-N 441.531 4.421 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1 64902217 DJMUHMUXLJJZOJ-UHFFFAOYSA-N 436.415 4.451 5 20 IIBD CCOc1ccc([C@@H](NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c2ccccc2)cc1 78721139 ANRZMNZUGOKKRO-QHCPKHFHSA-N 443.463 4.094 5 20 IIBD CS(=O)(=O)Cc1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 237355779 HFVJNOAKLXSEPA-UHFFFAOYSA-N 434.901 4.343 5 20 IIBD C[C@H](NC1(CNc2ncc(Br)cc2[N+](=O)[O-])CCOCC1)c1ccccc1 301702857 UJUZAIYJPHJSLD-AWEZNQCLSA-N 435.322 4.064 5 20 IIBD C[C@H]1C[C@H](c2cccnc2)N(c2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])C1 302141192 PATBXEBDOSRQCC-HRAATJIYSA-N 438.509 4.378 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCc3ccncc3C)c([N+](=O)[O-])c2)c(C)c1 302379071 GJPPUWGWOBXJHQ-UHFFFAOYSA-N 426.498 4.328 5 20 IIBD CCCN(CC(=O)Nc1ccc(Cl)cc1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 303577872 ZPWFQQRAFVQAFX-UHFFFAOYSA-N 429.864 4.149 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Br)cc1 326107316 ZHKAFCDAFYZNFE-UHFFFAOYSA-N 425.182 4.177 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCCC(=O)NC3CCCCC3)cc2[N+](=O)[O-])n1 409641296 MQMFDRAANVKCDP-UHFFFAOYSA-N 448.570 4.080 5 20 IIBD COc1ccc(CC[C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2OC)cc1OC 427450615 MYDDNOFEVTTXHH-QGZVFWFLSA-N 428.485 4.248 5 20 IIBD CC1(C)[C@H](O)C[C@H]1NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 428327615 UNNBEHOHTUYDKX-LBOYDBISSA-N 437.521 4.411 5 20 IIBD O=C(NCCn1cc([N+](=O)[O-])cn1)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2 428717515 DTEVAVLCVNXAKN-SSZFMOIBSA-N 443.463 4.239 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)c1cccc(-c2noc(C(F)(F)F)n2)c1 430707511 GWCKEJAOXYPBGQ-UHFFFAOYSA-N 429.314 4.464 5 20 IIBD CCN(CC)C[C@H]1CCCC[C@H]1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 430835150 AQJFTMCHWDNTJW-FGZHOGPDSA-N 441.576 4.087 5 20 IIBD O=C(NCc1cccnc1OC1CCCC1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 436098922 DQJZJLSYBLAKLF-UHFFFAOYSA-N 431.467 4.467 5 20 IIBD COc1cc(CCNC(=O)Nc2ccccc2CC(F)(F)F)c([N+](=O)[O-])cc1OC 438621612 PPFQLWOGFQUFTD-UHFFFAOYSA-N 427.379 4.081 5 20 IIBD Cc1ccc2c(c1)CCCN2S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 438811383 LHMXHVYJVXEAIU-UHFFFAOYSA-N 425.304 4.116 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1[N+](=O)[O-] 439247795 OTJFANGGYIFWJR-MRXNPFEDSA-N 443.294 4.331 5 20 IIBD O=C(c1ccc(=O)n(Cc2ccccc2)n1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 440593903 AQWTZZMNCADAIX-UHFFFAOYSA-N 440.459 4.047 5 20 IIBD CCC(C)(C)OCc1cccc(NC(=O)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)c1C 441845549 IYEPVCSGEYJMIG-UHFFFAOYSA-N 429.473 4.194 5 20 IIBD O=C(NCc1cccc(COCC(F)(F)F)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 442004272 XDDRGXAATDSAJJ-UHFFFAOYSA-N 437.418 4.204 5 20 IIBD Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 444603826 XRDAZAVLSJYGEY-AWEZNQCLSA-N 443.809 4.096 5 20 IIBD O=C(Cc1noc(-c2cc(O)nc3ccc([N+](=O)[O-])cc23)n1)Nc1cccc2ccccc12 445337256 PIBUAZICRAISDI-UHFFFAOYSA-N 441.403 4.233 5 20 IIBD COc1cc(-c2nc(-c3c([N+](=O)[O-])ncn3C)no2)ccc1OCc1ccccc1Cl 445570297 FKWYLHOEAFEYJN-UHFFFAOYSA-N 441.831 4.286 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(CCc3nnc(-c4cc5ccccc5o4)o3)n2)c1 445575505 FMAHJJKYHUVVML-UHFFFAOYSA-N 447.407 4.159 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(-c3nc([C@H]4CN5CCCC[C@H]5CO4)no3)cc2[N+](=O)[O-])C1 445817611 GPYFDMMXXOUREJ-ONFYXGJMSA-N 441.532 4.053 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@H]1CCOc2ccc(Br)cc21 445887014 FDOKYAWNIOIDFZ-GOSISDBHSA-N 448.317 4.450 5 20 IIBD CCOc1ccc([C@H]2CCCN2C(=O)CNc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 446625551 SAIGUMWALDKCOU-GOSISDBHSA-N 435.427 4.371 5 20 IIBD CCOC(=O)c1csc(N(C(=O)c2ccc([N+](=O)[O-])s2)c2ccc(OC)cc2)n1 460106841 OITFTLUSAVDKSI-UHFFFAOYSA-N 433.467 4.277 5 20 IIBD Cc1c(CN[C@H](c2cccc(S(C)(=O)=O)c2)c2cc(F)ccc2F)cccc1[N+](=O)[O-] 462176082 MMFMBWKSFMQPTA-JOCHJYFZSA-N 446.475 4.464 5 20 IIBD COc1ccccc1-c1ccc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 462490727 BYQNQFLNWMJHBX-CQSZACIVSA-N 430.457 4.449 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)nc1 462503697 RXMPDRKASMDLNE-MRXNPFEDSA-N 434.452 4.088 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2c3ccccc3CCC[C@@H]2C)cc1OC 462581831 SKCSOPZFHTWFME-NYHFZMIOSA-N 428.485 4.072 5 20 IIBD CC(C)c1ccc(CC2CCN(C(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)CC2)cc1 462803200 AEECQVXRCFBNLK-UHFFFAOYSA-N 433.512 4.394 5 20 IIBD Cc1cccc(-n2c(S[C@@H](C)c3ccccc3[N+](=O)[O-])nnc2N2CCOCC2)c1 463251765 VFTFDAFQFRAUCP-INIZCTEOSA-N 425.514 4.174 5 20 IIBD C[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 464588983 PSGPPBHMUHINSI-QGZVFWFLSA-N 431.448 4.293 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NC[C@H]2CCN(CC(C)C)C2)c([N+](=O)[O-])c1 465057811 VYMPHWZFZYWPFX-QGZVFWFLSA-N 439.512 4.002 5 20 IIBD COC(=O)c1ccc(C(C)C)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1 467065908 RYSULJNBQXIMCX-UHFFFAOYSA-N 435.274 4.449 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC2(CCOCC2)O1 468517242 OGRZLPGVRQNXKC-MRXNPFEDSA-N 428.510 4.156 5 20 IIBD COc1ccc(CNC(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)cc1[N+](=O)[O-] 471990538 DZEXXXRYFDBYCE-FQEVSTJZSA-N 426.860 4.241 5 20 IIBD O=C([C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1CCC(c2ccc(Cl)cc2)CC1 476453047 QJGOBDDMQLOHLN-KRWDZBQOSA-N 447.944 4.321 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCCc3cccc(C)n3)c([N+](=O)[O-])c2)c(C)c1 480494273 QNQBYAGMUBICSV-UHFFFAOYSA-N 440.525 4.370 5 20 IIBD COc1cc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])ccc1NC(C)=O 485765390 FSMHVRVNLZBIIW-UHFFFAOYSA-N 435.436 4.393 5 20 IIBD O=C(NC1CC1)c1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1 486354020 NTBNYVJNWPNHQJ-UHFFFAOYSA-N 431.448 4.318 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2CCC[C@H]2c2cccnc2)c([N+](=O)[O-])c1 486437522 XAMPSJMTVULWBO-FQEVSTJZSA-N 431.448 4.349 5 20 IIBD CC(=O)Nc1cccc(OCCNC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)c1 487442728 IFEKHMBKZQMECM-UHFFFAOYSA-N 431.514 4.110 5 20 IIBD Cc1nc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)ccc1Br 488749503 MFOIIMHKPJDIFH-UHFFFAOYSA-N 433.184 4.401 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1CSc1nnc(-c2cnccn2)n1Cc1ccco1 488781162 JFRNTKSCISDZOD-UHFFFAOYSA-N 428.861 4.230 5 20 IIBD COC(=O)c1cc(NC(=O)c2cn(-c3ccccc3)nc2C(C)(C)C)c(C)c([N+](=O)[O-])c1 489739488 DUANNZXAAPLABW-UHFFFAOYSA-N 436.468 4.425 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@@H](c4nc5c(s4)CCCC5)C3)n2)cc1 490026311 POTNBRGJKOATGY-OAHLLOKOSA-N 425.514 4.360 5 20 IIBD CN(CCc1ccc(Cl)cc1)C(=O)c1ccc([N+](=O)[O-])cc1I 490987150 GFZISFVKNWOMET-UHFFFAOYSA-N 444.656 4.168 5 20 IIBD Cc1nc([C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c2ccc(Cl)cc2)no1 497584269 HNQGUTYRYOOUNC-HNNXBMFYSA-N 438.774 4.060 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NCCc2c(C)noc2C)c([N+](=O)[O-])c1 501162385 JQNOCYRLFNICAI-UHFFFAOYSA-N 444.513 4.069 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN3CCOC[C@H]3c3noc(-c4ccccc4)n3)o2)cc1 501728009 XIALOTXNRCLFNG-FQEVSTJZSA-N 432.436 4.478 5 20 IIBD CC1CCN(C2CCC(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])CC2)CC1 502268870 NOTYYJYHTHTDRF-UHFFFAOYSA-N 443.466 4.309 5 20 IIBD O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)c1cc(O)nc2ccc([N+](=O)[O-])cc12 508090560 SFDHULIZURRCDI-INIZCTEOSA-N 427.285 4.160 5 20 IIBD COc1ccc(C)cc1NC(=O)COc1c([N+](=O)[O-])cnc2ccc(Br)cc12 508164980 RGFCCGONBZACJT-UHFFFAOYSA-N 446.257 4.240 5 20 IIBD CCN(CCCN1CCCC1)C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 508184660 YLSCADDFPUPEFY-UHFFFAOYSA-N 440.331 4.035 5 20 IIBD CCOc1cc(NC(=O)c2ccccc2Oc2cnn(C)c2)c([N+](=O)[O-])cc1OCC 509126974 WKXOJQULCXGRPI-UHFFFAOYSA-N 426.429 4.170 5 20 IIBD CCN1CCN(c2ccc(Cl)cc2NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 509602837 UBIUZSZOFBBKIV-HNNXBMFYSA-N 431.924 4.273 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCc1nc2ccccc2n1C(F)F 509702552 OYNAVERZAPCRBD-UHFFFAOYSA-N 446.457 4.258 5 20 IIBD COc1cccc(OC(F)(F)F)c1CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 510773040 OWZWSISLDYUOLV-UHFFFAOYSA-N 439.390 4.376 5 20 IIBD C[C@@H](NC(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cccc([N+](=O)[O-])c1 512084883 VFRANPLMGZTDPX-HIFRSBDPSA-N 438.406 4.133 5 20 IIBD COc1cc(CCNC(=O)[C@H](Oc2ccccc2)c2ccccc2)c([N+](=O)[O-])cc1OC 512906122 ZOIFDZIYUFNYJX-HSZRJFAPSA-N 436.464 4.091 5 20 IIBD COc1cc(CN2CCC(c3noc(C(C)C)n3)CC2)c([N+](=O)[O-])cc1OC(F)F 513055509 CBVPAYSAJBAQGK-UHFFFAOYSA-N 426.420 4.091 5 20 IIBD CCNC(=O)COc1cccc(NCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)c1 513057081 CDNGWMPLECWTBD-UHFFFAOYSA-N 434.496 4.490 5 20 IIBD CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 513557083 RMJMEEFZUKYCNU-UHFFFAOYSA-N 444.431 4.068 5 20 IIBD COc1ccc(NC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cc1Cl 515229254 UXDGRADEAVYLGN-MRXNPFEDSA-N 435.864 4.461 5 20 IIBD O=[N+]([O-])c1cc2c(c(-c3nc(-c4ccc(OCc5ccccc5)nc4)no3)c1)OCCO2 515330535 JBVNPDVVKHUTMX-UHFFFAOYSA-N 432.392 4.057 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CSc2nncn2-c2ccccc2)c1 516606660 QYCKAVZWSBDNNA-UHFFFAOYSA-N 438.250 4.072 5 20 IIBD COc1cc(C(=O)NCCc2ccc(C)cc2C)c([N+](=O)[O-])cc1OCc1cscn1 518926439 UEXBTJKYCVUHNO-UHFFFAOYSA-N 441.509 4.228 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1sc2ccccc2c1Br 520904998 VLPAFHCLTBDKCR-UHFFFAOYSA-N 431.271 4.378 5 20 IIBD COCc1cccc2sc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)nc12 521502404 LABQPJBOONNUEV-UHFFFAOYSA-N 426.498 4.206 5 20 IIBD CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1 522252506 WVMAJHCNKVYEEY-UHFFFAOYSA-N 441.875 4.167 5 20 IIBD COc1ccc(CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])c(C(F)(F)F)c1 522623570 XWYFCWNXKIWVCF-UHFFFAOYSA-N 434.374 4.199 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1cccc(OC(F)F)c1 522669035 VZYKODJYAQBYAE-UHFFFAOYSA-N 448.348 4.126 5 20 IIBD Cc1ccc(NCCCNC(=O)Nc2ccc(C(=O)NCC(C)C)cc2C)c([N+](=O)[O-])c1 524831089 JCRITEXJQUVOIB-UHFFFAOYSA-N 441.532 4.221 5 20 IIBD Cn1cc(CNCCCCc2ccc([N+](=O)[O-])cc2)c(-c2ccc3c(c2)OCCCO3)n1 525195790 MGMMYUGQSGAPBF-UHFFFAOYSA-N 436.512 4.269 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N(Cc2ccc(C)c(C)c2)C2CC2)cc1OC 525374593 PLDILMJBASSQEB-UHFFFAOYSA-N 428.485 4.050 5 20 IIBD Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCN(CC(F)(F)F)C3)n2)cc1[N+](=O)[O-] 535119554 DOGDQUREJXSTNO-CYBMUJFWSA-N 428.436 4.240 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@@H](C)c3ccc([S@](C)=O)cc3)cc2[N+](=O)[O-])C1 535205082 FYVSGHSJUHSUSH-KXRWTOKXSA-N 443.569 4.306 5 20 IIBD O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 536508727 GYASUBQCZWWIDB-UHFFFAOYSA-N 446.429 4.443 5 20 IIBD C[C@@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(NC(=O)c2ccccc2)c1 538129709 SIYGCEOHOHURTJ-HXOBKFHXSA-N 444.491 4.303 5 20 IIBD COc1cc(CN2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC 538798460 GGDRPCZDCGGKMB-TZIWHRDSSA-N 425.529 4.099 5 20 IIBD O=C(Nc1ccc(CN2CCOCC2)c(Cl)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 541347341 WJFDTCGVZADAEW-UHFFFAOYSA-N 443.809 4.352 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 542562115 BVSIOVQXCSYDSN-YLJYHZDGSA-N 448.516 4.465 5 20 IIBD COc1ccc2c(c1)C[C@@H](C)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H]2C 542881067 LSEAEWROPQWADT-OLZOCXBDSA-N 448.317 4.312 5 20 IIBD O=C(NCC[C@@H]1C(=O)Nc2ccc(F)cc21)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 549826857 RFDTZIUFFANHDS-KRWDZBQOSA-N 435.411 4.382 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCCC1 558842054 LNUDFYQZAGKHQU-GOSISDBHSA-N 437.418 4.189 5 20 IIBD O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC(c3nc(-c4ccccn4)no3)CC2)c1 559071247 MWBOJTDYOCOAHG-UHFFFAOYSA-N 433.390 4.438 5 20 IIBD O=C(Nc1ccc2c(c1)N(CC(F)F)CCS2)c1cc(O)nc2ccc([N+](=O)[O-])cc12 560809958 RXHTUJJHQWMXGM-UHFFFAOYSA-N 446.435 4.278 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 561189352 GRENGISUDDVLQD-RDBSUJKOSA-N 437.315 4.064 5 20 IIBD CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NC(=O)c1sc(Br)cc1[N+](=O)[O-] 561442726 CGWZJIPLPUORJQ-UMVBOHGHSA-N 439.331 4.500 5 20 IIBD CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(n2cc(Cl)cn2)CC1 565316370 AOIKFOLHYUSOJH-UHFFFAOYSA-N 429.912 4.201 5 20 IIBD CCc1c(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cnn1-c1cccc(C(F)(F)F)c1 570315053 FLQFCJHFBXORGD-UHFFFAOYSA-N 448.357 4.343 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC(C)(C)[C@@H]3c3cnn(C)c3)cc2[N+](=O)[O-])C1 571207720 FVSUQIIDYCSWMJ-MRUHUIDDSA-N 425.533 4.034 5 20 IIBD Cc1cc(C)c(S(=O)(=O)N2CCCC[C@@H]2c2nc3ccccc3n2C)cc1[N+](=O)[O-] 574462052 IRDFZFJCMFVATE-GOSISDBHSA-N 428.514 4.014 5 20 IIBD Cc1c(C(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)nnn1-c1cccc([N+](=O)[O-])c1 580594864 ISEKDFIUJJTUJQ-UHFFFAOYSA-N 448.458 4.124 5 20 IIBD CC(C)(CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])Oc1cc(F)cc(F)c1 583397775 LWBCBDYJYAHFKB-UHFFFAOYSA-N 429.217 4.223 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CNC1(c2cccc(C(F)(F)F)c2)CCOCC1 583792321 XAQVHGKDVWRPHN-UHFFFAOYSA-N 437.418 4.156 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ncc(-c2ccc(Br)cc2)s1 588781717 ZDWJVXGEAUSWDX-UHFFFAOYSA-N 436.291 4.015 5 20 IIBD COc1cc(C(=O)N2CC[C@@H](N(C)C)[C@H]2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 590566192 GOQZVRVYQZTALR-CZUORRHYSA-N 433.892 4.214 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 603584292 WDLFJJSBZVFTCJ-URLYPYJESA-N 434.358 4.091 5 20 IIBD C[C@@H]1Sc2ccc(C(=O)N(Cc3ccccc3[N+](=O)[O-])CC(F)(F)F)cc2NC1=O 603613752 PEUPKARXBAUIFS-NSHDSACASA-N 439.415 4.232 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ccc(-n2cccn2)cc1 603667014 KDOTZNALQDYMAS-UHFFFAOYSA-N 436.415 4.208 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)c(Cl)c1 604024242 UYPDHKQTMACBQT-UHFFFAOYSA-N 445.856 4.375 5 20 IIBD COC(=O)c1ccoc1CSc1ccccc1C(=O)NCc1cccc([N+](=O)[O-])c1 604470516 HHMWMABSMIESBD-UHFFFAOYSA-N 426.450 4.197 5 20 IIBD CN(C)CCOc1cccc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 604530315 AQFDMZRFLRSGDC-UHFFFAOYSA-N 434.496 4.400 5 20 IIBD CC(C)(C)c1nc(CC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cs1 608861090 YWWWABXDTHIZDN-UHFFFAOYSA-N 430.452 4.138 5 20 IIBD CCOc1cc(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])cc1OC 608948681 OYGGYJTVVZXTGI-UHFFFAOYSA-N 438.402 4.483 5 20 IIBD CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 609010342 TULMYMVPYQXNTF-UHFFFAOYSA-N 444.875 4.288 5 20 IIBD COC(=O)c1ccccc1N(C)C(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 609096023 RPVMHNKNTUGODX-IYBDPMFKSA-N 425.485 4.140 5 20 IIBD Cc1ccc(-c2noc(-c3ccc([N+](=O)[O-])cc3I)n2)cc1F 609474355 GDSIWKWLGCNMGE-UHFFFAOYSA-N 425.157 4.364 5 20 IIBD O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CCO[C@@H](C(F)(F)F)C1 610067509 MVPJXXGCHIWRMM-QGZVFWFLSA-N 443.809 4.264 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1c(Cl)cccc1Cl 611917368 AJOWEHJYHUQJOM-UHFFFAOYSA-N 426.075 4.465 5 20 IIBD CCN(Cc1ccc(Cl)s1)C(=O)c1cc(OC)c(OCCOC)cc1[N+](=O)[O-] 619564744 YPQRSEPFSDAOFB-UHFFFAOYSA-N 428.894 4.006 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Br)Nc1ccc2ccccc2c1 725984012 BNGHBKFUVYLNNG-UHFFFAOYSA-N 429.226 4.306 5 20 IIBD Cc1ccc(F)c(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)c1 727587166 WDBOHCYWEMJVSE-UHFFFAOYSA-N 426.370 4.415 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])c(F)c1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 731518220 WWFOFALBFYRSOK-NRFANRHFSA-N 442.830 4.450 5 20 IIBD O=C(OCC(=O)N1CCc2sccc2[C@H]1c1ccccc1)c1cc(F)cc([N+](=O)[O-])c1 731528717 OJHBPSXDDORQHI-OAQYLSRUSA-N 440.452 4.127 5 20 IIBD CCOc1ccc(-c2nc(C)c(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)s2)cc1 731706089 GCJPUYDIZZQCII-UHFFFAOYSA-N 426.450 4.465 5 20 IIBD CC(C)c1cc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)on1 733834046 YCSFMBBNBHUYDH-NSHDSACASA-N 430.442 4.014 5 20 IIBD O=C(O[C@@H](c1ccc(Br)cc1)C1CC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 734729077 FVUJSRVNPGPNKR-GOSISDBHSA-N 443.257 4.246 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(=O)n(Cc2ccccc2Cl)c1 734780952 MSFWEXNDTNFSBY-UHFFFAOYSA-N 433.247 4.469 5 20 IIBD C[C@H](Oc1ccc(Cl)c(COC(=O)CCn2cc([N+](=O)[O-])cn2)n1)c1ccccc1 742224479 FBBNYURPTRMFSB-AWEZNQCLSA-N 430.848 4.113 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])cc1 742891203 ZXXKETHLNPSTSD-HNNXBMFYSA-N 428.489 4.255 5 20 IIBD CCO[C@@H]1C[C@@H]1C(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 744284647 UNKFUOAVEQTPCA-SUMWQHHRSA-N 439.251 4.484 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)cc1[N+](=O)[O-] 748661866 UJMWNJNJIVMPIU-UHFFFAOYSA-N 436.877 4.270 5 20 IIBD COc1cc(C2(C(=O)OCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CCC2)ccc1C 750176715 ZULLFAHQUJQEOJ-UHFFFAOYSA-N 432.860 4.169 5 20 IIBD CN(C[C@H]1OCCc2ccccc21)C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 750854073 KCUUKDUOUSCBAD-MRXNPFEDSA-N 439.693 4.397 5 20 IIBD CSc1cccc(NC(=O)COC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1 751644121 PGYYAOQDPDLDPY-UHFFFAOYSA-N 426.903 4.244 5 20 IIBD O=C(/C=C/c1ccc2ccccc2n1)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 752179053 WTSDCCKCYUIPDY-KQDNUWKFSA-N 431.448 4.004 5 20 IIBD Cc1c(Br)cc(C(=O)O[C@@H](C)C(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-] 753427825 CRGCIQMJKMGUJD-VIFPVBQESA-N 428.185 4.372 5 20 IIBD CN(CCCOc1ccc(F)cc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754982903 WXKILILRRZVLPU-UHFFFAOYSA-N 429.217 4.177 5 20 IIBD COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1-c1ccccn1 755002208 BLYVGTFXTKLLJZ-HNNXBMFYSA-N 435.436 4.158 5 20 IIBD C[C@H]1CC(OC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 756045783 NBYHQUYKLXTVIP-IRXDYDNUSA-N 435.480 4.489 5 20 IIBD CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F 759017584 GKDLOJASLROUEP-UHFFFAOYSA-N 440.431 4.013 5 20 IIBD Cc1cccc(CN(Cc2ccccn2)S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1 759108414 TYVOFMQETWJRBD-UHFFFAOYSA-N 429.473 4.137 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CSCc3cc([N+](=O)[O-])cc4c3OCOC4)co2)cc1 760247230 OHSQDEIEEZQQDU-UHFFFAOYSA-N 429.410 4.458 5 20 IIBD Cc1cc(C)n(-c2ccccc2CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)n1 760858012 OCDLNNMMGHUDRI-UHFFFAOYSA-N 447.264 4.229 5 20 IIBD O=C(NC[C@H](O)c1ccc(-c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1Br 760872844 HZZNCHRESSELEV-IBGZPJMESA-N 441.281 4.488 5 20 IIBD Cc1nn(CN(C2CC2)C2CCN(C(=O)OC(C)(C)C)CC2)c2cc([N+](=O)[O-])ccc12 761292110 YBAOESGRMRWNSN-UHFFFAOYSA-N 429.521 4.074 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N(Cc1ccc(O)cc1)Cc1ccco1 762180972 VLRZLMMPDQBUQK-UHFFFAOYSA-N 438.408 4.097 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1cc(-c2ccc(F)cc2)no1 763808843 BJAOQJVEWNXRNI-UHFFFAOYSA-N 432.429 4.484 5 20 IIBD CN(C)c1ccc(N2CCC(NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)CC2)cc1 764421803 YEPHMUHRWSUIOP-UHFFFAOYSA-N 437.544 4.004 5 20 IIBD Cc1cc(CN(CC(C)C)C(=O)c2cc(F)ccc2[N+](=O)[O-])nc(N2CCCCC2)n1 764558083 MRTLAVNLQZMDGL-UHFFFAOYSA-N 429.496 4.121 5 20 IIBD CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@H](C)c2ccccc2[N+](=O)[O-])c1 764597939 PEOUSPKUIZMATM-CYBMUJFWSA-N 440.905 4.195 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N[C@H](c2cccc(F)c2)c2ccccn2)cc1[N+](=O)[O-] 765746474 YIOMHRVMRBNNDY-LJQANCHMSA-N 435.864 4.159 5 20 IIBD O=C(c1ccccc1)c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 766458577 BCAUYRWLFJXCEV-UHFFFAOYSA-N 434.429 4.142 5 20 IIBD C[C@H](OC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl 766841184 COFZCOCYWITKLL-JTQLQIEISA-N 437.235 4.473 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)c1ccc(OC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1 767080384 QSPIPCAQJCCMTA-CQSZACIVSA-N 440.456 4.136 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)c1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 767081253 WWHICJZPKSHREX-GFCCVEGCSA-N 431.401 4.308 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2c(Cl)cc(F)cc2Br)c(F)c1 767243610 VSRTZCAXNWCPBC-UHFFFAOYSA-N 428.594 4.057 5 20 IIBD Cc1ccc(Cc2nc(C(=O)O[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])cs2)cc1 768653804 RMZVSBRINBBYDI-CQSZACIVSA-N 425.466 4.135 5 20 IIBD Cc1ccc(-c2nnc(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3Cl)s2)c(C)c1 769846210 PCLDQNFROHWINB-UHFFFAOYSA-N 438.918 4.493 5 20 IIBD CCCOc1cccc(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c1 771786254 PXNYOVRSZUMKCV-UHFFFAOYSA-N 425.254 4.258 5 20 IIBD C[C@@H](OC(=O)c1cc(N(C)C)nc2ccccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 772302247 DYLDZJQFRPATKK-GFCCVEGCSA-N 442.859 4.046 5 20 IIBD C[C@@H]1CN(c2cccc3cnccc23)CCN1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 772382023 GDIIMPZZMXKAFJ-OAHLLOKOSA-N 439.903 4.217 5 20 IIBD CC[C@H](c1ccccc1)c1nnc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)o1 775122190 JERGDWZZQNYCBZ-CYBMUJFWSA-N 436.877 4.282 5 20 IIBD O=C(NCc1cc(Br)ccc1Br)c1cc(F)ccc1[N+](=O)[O-] 775428514 PTDZYJGJYVQQJD-UHFFFAOYSA-N 432.043 4.189 5 20 IIBD Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2ncco2)cc1 777644127 BSGRWPQZXFBQSZ-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1occc1CS(=O)(=O)c1ccccc1 778087226 CESJWWLICLCBDB-UHFFFAOYSA-N 435.841 4.172 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCc1ccc(Br)cc1F 781737437 NUQVIQQZFKVVJV-UHFFFAOYSA-N 427.182 4.081 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(CN2CCCCCC2)cc1 781953479 JSSWLCXFKITHGN-UHFFFAOYSA-N 426.473 4.450 5 20 IIBD Cc1c(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)nnn1Cc1ccc(C(F)(F)F)cc1 783201952 AXPWAGXIXRSLEF-UHFFFAOYSA-N 439.781 4.468 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 785595318 PYEUVQGJJWSFOM-UHFFFAOYSA-N 433.490 4.069 5 20 IIBD CCNC(=O)c1cc(Cl)ccc1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 786128667 DRTCMVOBAWBUBR-UHFFFAOYSA-N 440.681 4.321 5 20 IIBD Cn1c(SCc2ccc(Cl)nc2C(F)(F)F)nc2cc([N+](=O)[O-])ccc2c1=O 786731501 BSUQWQXQJGKHMO-UHFFFAOYSA-N 430.795 4.201 5 20 IIBD COCCOc1cc(OC)ccc1C(=O)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 788436779 NJWNKEPXRHITJU-UHFFFAOYSA-N 434.876 4.339 5 20 IIBD COC(=O)COc1ccc(/C=C(\Cl)c2nc3cc(Cl)ccc3n2C)cc1[N+](=O)[O-] 788732626 LDIMALZVBJLFLO-QPEQYQDCSA-N 436.251 4.424 5 20 IIBD COc1cccc(CC(=O)N2CCc3ccc(N[C@H](C)c4ccc(N)c([N+](=O)[O-])c4)cc32)c1 788738426 VHYQHJUYPNTFIY-MRXNPFEDSA-N 446.507 4.491 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)Nc2c(C)cnn2[C@@H]2CCN(Cc3ccccc3)C2)c1F 790867822 UBNGJFFJOUDGSP-GOSISDBHSA-N 437.475 4.247 5 20 IIBD Cc1nn(CCC(=O)Oc2ccc(NC(=O)OC(C)(C)C)cc2Cl)c(C)c1[N+](=O)[O-] 792136195 KFJYGOMIKLZDOJ-UHFFFAOYSA-N 438.868 4.404 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@H](c1cncc(Br)c1)C1CC1 793481942 BVKOZAIBDGTUGG-QGZVFWFLSA-N 442.672 4.355 5 20 IIBD Cc1onc(-c2cccnc2)c1C(=O)OCCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 796888430 HVNUNXIXBNAFFE-UHFFFAOYSA-N 437.330 4.208 5 20 IIBD O=C(COC(=O)c1ncccc1Oc1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl 799562066 OFYVGTNACUSIEA-UHFFFAOYSA-N 427.800 4.231 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN(C)Cc2cnc(C(C)C)nc2)c1=S 799582094 WICOGJZZRDLMIE-UHFFFAOYSA-N 427.534 4.012 5 20 IIBD Cc1ccc(C2=NO[C@@H](CNC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])C2)cc1 800668483 DKHPDSGFXOABCS-OAQYLSRUSA-N 445.475 4.405 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(C)(C)C1 801050500 FVXJGNWYPWOXQZ-OAHLLOKOSA-N 445.438 4.379 5 20 IIBD C[C@H](NC(=O)N(C)CCc1ccccc1[N+](=O)[O-])c1nc(-c2ccc(Cl)cc2)no1 805162639 GWBAQAPQXXNEER-ZDUSSCGKSA-N 429.864 4.243 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCC[C@@H]1CCNC(=O)OC(C)(C)C 805764955 IDJOXSCYKWUYKP-QGZVFWFLSA-N 434.537 4.001 5 20 IIBD Cc1c(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cnn1-c1ccc(Cl)cc1 808129687 QIZRBERWXKBVAT-UHFFFAOYSA-N 427.269 4.197 5 20 IIBD Cc1cc(OCc2nc(CC3CCN(C(=O)OC(C)(C)C)CC3)no2)ccc1[N+](=O)[O-] 809336013 ZHZVOLQURWGTHW-UHFFFAOYSA-N 432.477 4.055 5 20 IIBD CN(C)CCOc1ccc(/C=C/c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)cc1 809432986 BEGGHEHXARQYLK-BJMVGYQFSA-N 433.468 4.161 5 20 IIBD COc1cccc(-c2nnc(SCc3cc(Cl)cc(Cl)c3[N+](=O)[O-])n2N)c1 809959253 CGXBWYAHGGMPIP-UHFFFAOYSA-N 426.285 4.175 5 20 IIBD O=C(CCCNC(=O)c1ccc(F)cc1)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811217091 QOYOXUSDBCLESS-UHFFFAOYSA-N 443.456 4.111 5 20 IIBD CCOC(=O)C(C)(C)c1csc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])n1 813248387 KOZFCMYHVNMSNJ-UHFFFAOYSA-N 432.285 4.451 5 20 IIBD O=C(OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1occc1CSc1ccccc1 857857065 QUXUSMHKCWFXCX-UHFFFAOYSA-N 438.461 4.226 5 20 IIBD Cc1cc(C)c2c3c(sc2n1)C(=O)N[C@H](c1ccc(Br)cc1[N+](=O)[O-])N3 877846403 XFDBRUAUCQBONJ-OAHLLOKOSA-N 433.287 4.438 5 20 IIBD COc1ccc(-c2nc(COC(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)no2)cc1 898676589 QQPBBXSMGIKNOQ-UHFFFAOYSA-N 438.440 4.001 5 20 IIBD COc1cc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)ccc1OCC(C)C 914868709 PLZHDRYVQXJYAQ-CQSZACIVSA-N 431.445 4.346 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 915521191 IFZVEMNFILAKCX-QFIPXVFZSA-N 448.410 4.007 5 20 IIBD CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cc([N+](=O)[O-])c(F)cc2F)NC(=O)N1C1CC1 916725312 YOXBUZZHNUTGKY-LJQANCHMSA-N 446.385 4.154 5 20 IIBD COC(=O)c1c(C)n(C2CC2)c2ccc(OC(=O)CCOc3ccccc3[N+](=O)[O-])cc12 917628169 BUBCSFBWBKCOFS-UHFFFAOYSA-N 438.436 4.354 5 20 IIBD C[C@@H](OC(=O)Cc1csc(NC(=O)c2ccccc2F)n1)c1ccccc1[N+](=O)[O-] 920267440 HXMAVLLNOVBSIC-GFCCVEGCSA-N 429.429 4.290 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CCC(c2nc3cc(Cl)ccc3o2)CC1 921051140 LYBJYSQLOQJNCF-UHFFFAOYSA-N 428.832 4.134 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)OCc1nn(-c2ccc(F)cc2)c2c1CCC2 921086413 ABKVMIPSAQEFGA-UHFFFAOYSA-N 427.457 4.244 5 20 IIBD COc1ccc(SCC(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)cc1 921194849 DRRJEOGOPQPZNT-UHFFFAOYSA-N 442.497 4.183 5 20 IIBD C[C@@H](NC(=O)c1ccccc1NC(=O)CN1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 1318855601 YIYLTGCEKDXJTH-QGZVFWFLSA-N 444.491 4.040 5 20 IIBD CCOc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1OC 1321959985 IJSJEAKUAMHADO-UHFFFAOYSA-N 437.290 4.345 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)CCC2)cc1)C1=CCCS1 1786413590 GGKHTMQKRBGWOX-UHFFFAOYSA-N 439.493 4.069 5 20 IIBD Cc1ccoc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)CCC2)cc1 1788693193 SZTOLLUOCNZNEA-UHFFFAOYSA-N 435.436 4.263 5 20 IIBD C[C@@H]1CCC[C@@H]1C(=O)NC1(c2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc2)CCC1 1790755948 HHZHKNZCYUFURE-VFNWGFHPSA-N 437.496 4.484 5 20 IIBD CC[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc([N+](=O)[O-])c(O)cc2C)CC1 1800803413 RHOSESKUPHWCSD-YCEIQTCASA-N 443.544 4.077 5 20 IIBD CC[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C3)CC1 1802026896 PGSVGHVAGAKLAF-UTYGPRLXSA-N 439.556 4.463 5 20 IIBD C[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc([N+](=O)[O-])o2)n[nH]1)c1ccccc1 1814313467 MGFPHXPZHLYVJU-PBHICJAKSA-N 437.456 4.021 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccccc3o2)[nH]n1)c1ccc([N+](=O)[O-])[nH]1 1820364620 BPXFSWUXRHTYOM-INIZCTEOSA-N 448.439 4.012 5 20 IIBD Cc1c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C(C)C)[nH]n2)cc(Cl)cc1[N+](=O)[O-] 1821291183 QRYPBZDUDBOROD-INIZCTEOSA-N 433.896 4.242 5 20 IIBD COc1cc(COC(=O)COc2c(C)cc(C)cc2C)c([N+](=O)[O-])cc1OC(F)F 12723720 BHYVZBJOQBMFPR-UHFFFAOYSA-N 425.384 4.252 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc4c(c3)NC(=O)CS4)cc2[N+](=O)[O-])C1 24295247 PDCORYAVLPEJEC-OKILXGFUSA-N 440.525 4.374 5 20 IIBD COc1ccc(NC(=O)CCSc2nncn2-c2ccc(C)c(Cl)c2)c([N+](=O)[O-])c1 26372754 ZKYQBYUAHKPICB-UHFFFAOYSA-N 447.904 4.267 5 20 IIBD Cc1cccc(OCCNC(=O)[C@@H](C)Sc2nc3cc4ccccc4cc3c(=O)n2C)c1 26580939 JMAGWDZVJKTQAJ-QGZVFWFLSA-N 447.560 4.071 5 20 IIBD CCOc1ccc(NC(=O)CNc2ccc(C(=O)Nc3ccccc3)cc2)c([N+](=O)[O-])c1 63889370 DUYOUDDLTXKVHN-UHFFFAOYSA-N 434.452 4.296 5 20 IIBD COc1cc(COC(=O)c2ccc(N3CCC(C)=N3)cc2)c([N+](=O)[O-])cc1OC(F)F 108760244 VHRLZLJFLKGITR-UHFFFAOYSA-N 435.383 4.148 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 109265604 SXSRDARIKUHVLN-QGZVFWFLSA-N 449.492 4.216 5 20 IIBD O=C(Nc1ccc2[nH]c(Cc3ccccc3F)nc2c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 109445415 VAOJPALUFROKDK-UHFFFAOYSA-N 448.410 4.225 5 20 IIBD Cc1noc(C)c1COc1cccc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 116303058 FJMYBMBBBQQIAH-UHFFFAOYSA-N 433.424 4.421 5 20 IIBD COc1cc(CNCc2ccc(N3CCCC3)nc2)c([N+](=O)[O-])cc1OCc1ccccc1 237249404 DDPFTSSTWMFHEA-UHFFFAOYSA-N 448.523 4.467 5 20 IIBD CC(=O)Nc1cccc(-n2c(Sc3ncc(Cl)cc3[N+](=O)[O-])nnc2C2CC2)c1 301742725 LZUBFTDMAHVAFL-UHFFFAOYSA-N 430.877 4.211 5 20 IIBD COc1cc(CNC[C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)c([N+](=O)[O-])cc1O 426696003 QDGRTNVCBNXWLP-FQEVSTJZSA-N 436.464 4.009 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1 430025142 IFDOFGALFNOSQO-INIZCTEOSA-N 443.294 4.163 5 20 IIBD C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CC[S@]1=O 430354729 KSELJOIECGRDCK-DBDZUICISA-N 438.958 4.383 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)cc1 431331197 ZUXPIQIWRDRAEC-UHFFFAOYSA-N 442.931 4.193 5 20 IIBD CCCc1c(NC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cnn1-c1ccccc1C 433677595 AWYNIVPOHBWFHN-UHFFFAOYSA-N 435.484 4.235 5 20 IIBD COc1cc(NC(C)=O)ccc1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 434937612 JIDCIAWKUQVBAF-JTQLQIEISA-N 440.378 4.020 5 20 IIBD Cc1ccc(NC(=O)C(=O)N2CCCCC[C@H]2c2noc(-c3ccccc3)n2)cc1[N+](=O)[O-] 442462278 UVYDIGGWBZEOQB-SFHVURJKSA-N 449.467 4.036 5 20 IIBD C[C@@H](CCNC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1cccc(C(F)(F)F)c1 445126276 QKIDCSTTZMCNMS-LBPRGKRZSA-N 435.406 4.483 5 20 IIBD COCCN(C)CC[C@@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)c1ccccc1 446094984 KXGKQAZDSOGWLG-HSZRJFAPSA-N 443.547 4.121 5 20 IIBD CC(C)(C)C(=O)NC[C@H]1CCCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 447668877 HUIUCLUYTUDDKU-LLVKDONJSA-N 438.397 4.023 5 20 IIBD CCOc1cc(CNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])ccc1OC(F)F 447804616 GKCWCRWRTNBJQD-UHFFFAOYSA-N 437.443 4.039 5 20 IIBD O=[N+]([O-])c1cccc(CN(c2nnc([C@@H]3CCCO3)n2CCc2ccccc2)C2CC2)c1 460419574 ASPSUMPHHGQWSG-QFIPXVFZSA-N 433.512 4.450 5 20 IIBD CCc1cc(=NC(=O)[C@H](C)Sc2ccc(NC(C)=O)cc2)c2cc([N+](=O)[O-])ccc2[nH]1 462629020 GFXGUAKRQQUZIQ-ZDUSSCGKSA-N 438.509 4.205 5 20 IIBD CN(CCc1cccc(Br)c1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 462851266 KLMUBMHDPAFMIV-UHFFFAOYSA-N 446.345 4.275 5 20 IIBD Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)ccc1Oc1cccnc1 463523838 AYMIMXDCMWTPPN-UHFFFAOYSA-N 436.449 4.440 5 20 IIBD C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 464229336 RAQFKAYIWZZUON-LIRRHRJNSA-N 427.432 4.032 5 20 IIBD Cc1ccc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2C)c2cccc(S(C)(=O)=O)c2)cc1 464384220 DLPDAOJODMDTRT-QFIPXVFZSA-N 438.505 4.135 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1C[C@](C)(OC)C1(C)C 467019684 BRMIJEXAMOETOD-FPOVZHCZSA-N 449.529 4.020 5 20 IIBD COc1cc(CS(=O)(=O)c2ccccc2C(F)(F)F)c([N+](=O)[O-])cc1OC(F)F 468477737 FEPOQDFRINSFJI-UHFFFAOYSA-N 441.330 4.198 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1 470744397 LVBAWAMTEKAFGW-UHFFFAOYSA-N 429.454 4.387 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccccc3O[C@@H]3CCOC3)cc2[N+](=O)[O-])C1 470767354 UTEYZPXIBYICLM-ZHALLVOQSA-N 439.512 4.497 5 20 IIBD O=C(CSCC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Cl)cc1 470972569 XQXIDZCHMLEPPF-UHFFFAOYSA-N 448.928 4.234 5 20 IIBD O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 472276956 LKGYTRGUVGWBAC-OAQYLSRUSA-N 433.855 4.348 5 20 IIBD CCOc1ccc([C@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C(C)C)cc1OCC 472566780 RUSWUTXVMDCZCN-OAQYLSRUSA-N 436.530 4.209 5 20 IIBD C/C=C/C[C@@H](CO)NC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 474054756 JMWFBCVXQYRSNU-HSWBROFVSA-N 437.855 4.306 5 20 IIBD O=C(c1cc(N2CC[C@@]3(CCCN(Cc4ccccc4)C3)C2)ccc1[N+](=O)[O-])N1CCCC1 474178329 UFMWJFOKDUQEAB-AREMUKBSSA-N 448.567 4.323 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 480223388 BZORTVIKXBUVCC-QMMMGPOBSA-N 449.227 4.224 5 20 IIBD Cc1cc(Sc2ncccn2)ccc1NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] 480240524 LGOKASQEPLIBAH-UHFFFAOYSA-N 430.511 4.262 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@H]4[C@H](CCCN4Cc4ccccc4)C3)o2)cc1 483476024 QWJIXDOWCZRGHH-IRLDBZIGSA-N 433.512 4.131 5 20 IIBD CCN(C(=O)Cc1ccc(NC(=O)c2cc(C(=O)O)cc([N+](=O)[O-])c2)cc1)c1ccccc1 485652149 QCYRSNFSJDYUHJ-UHFFFAOYSA-N 447.447 4.141 5 20 IIBD Cc1c(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)nnn1-c1cccc([N+](=O)[O-])c1 487279943 XADOONSRUIMCOA-BDTNDASRSA-N 431.496 4.282 5 20 IIBD C[C@H]1CN(c2cccc3cnccc23)CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 487616056 GTXHDSBLKDCCDD-SFHVURJKSA-N 445.523 4.094 5 20 IIBD CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 487672950 GIMDKGAEFHCQTG-UHFFFAOYSA-N 448.401 4.430 5 20 IIBD COc1ccc(-n2c(Cn3cc([N+](=O)[O-])c(=O)c4ccccc43)nc3ccccc32)cc1 487865159 YQZIYNZVMLXHOA-UHFFFAOYSA-N 426.432 4.306 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 488016770 VNPVBTOTMFOYIR-FUHWJXTLSA-N 442.274 4.413 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCC[C@@](O)(C(F)(F)F)C1 492395625 MWCILJVRJVXKIQ-SFHVURJKSA-N 426.416 4.275 5 20 IIBD COc1cc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cc(Br)c1OC 493307985 XQDKOVNZJJNXBL-UHFFFAOYSA-N 447.245 4.017 5 20 IIBD CC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)CC12CCCCC2 498618565 GGZVEBJBDWURDB-UHFFFAOYSA-N 433.574 4.350 5 20 IIBD CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1c(N)cccc1[N+](=O)[O-] 499680340 UXPOXCJWTAVFEY-UHFFFAOYSA-N 425.464 4.191 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(COC2CCCCC2)c1 502305128 MVFKWONRUQFGLZ-MRXNPFEDSA-N 425.485 4.201 5 20 IIBD CCOC(=O)c1cc(C(=O)N[C@@H](C)c2cc3cccc(OCC)c3o2)cc([N+](=O)[O-])c1 503158069 BRWYZQQPXNERNO-ZDUSSCGKSA-N 426.425 4.407 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)cccc1[N+](=O)[O-] 507392623 JRXAWQDBVUAYKV-QGZVFWFLSA-N 437.374 4.008 5 20 IIBD Cc1ccccc1-n1nc(C)c(CN(C)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1C 508234881 HVAJAZZMOSDVEI-UHFFFAOYSA-N 444.495 4.164 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)cc1[N+](=O)[O-] 512915728 ZFYZXKAWVHMMLP-UHFFFAOYSA-N 437.886 4.028 5 20 IIBD CC(C)c1ccc([C@@H]2CCCCN2C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)cc1 513612556 CMHYYFUEGNQRJL-IBGZPJMESA-N 430.526 4.489 5 20 IIBD CN(c1ccccc1)c1ccc(CNCc2cccc(NS(C)(=O)=O)c2)cc1[N+](=O)[O-] 517542058 LIAKKAVPWUDUSP-UHFFFAOYSA-N 440.525 4.024 5 20 IIBD Cc1cc(C)n(-c2ccc(CNC(=O)c3cc(F)cc([N+](=O)[O-])c3)c(C(F)(F)F)c2)n1 517557787 OXRGHXAMQRAFBX-UHFFFAOYSA-N 436.365 4.485 5 20 IIBD O=C(Nc1nc2c(s1)C[C@H](c1ccccc1)CC2)c1cc2c(cc1[N+](=O)[O-])OCCO2 520001159 YTJRHEAQRZWXFP-CQSZACIVSA-N 437.477 4.347 5 20 IIBD O=C(Nc1c(C(=O)c2ccco2)oc2ccccc12)c1cc([N+](=O)[O-])cc2c1OCCO2 521954125 DXUXDRYAISTFRE-UHFFFAOYSA-N 434.360 4.189 5 20 IIBD O=C(COC[C@@H]1CCCO1)Nc1cc([N+](=O)[O-])ccc1Nc1cccc(C(F)(F)F)c1 522182797 UQIDHDKRNWVHQF-INIZCTEOSA-N 439.390 4.491 5 20 IIBD Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 523089911 NUUMUKMMIFDJBM-NOXFTYBFSA-N 435.524 4.221 5 20 IIBD O=C(Nc1ccccc1NS(=O)(=O)c1ccccc1)c1cc(Cl)cc([N+](=O)[O-])c1 524059045 FAFXNMKASVLSKX-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(Oc2ccnc3ccccc23)c1 524551438 HPSHSMMZDGCDFN-UHFFFAOYSA-N 442.431 4.190 5 20 IIBD Cn1cnnc1Sc1ccccc1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 524767607 IIFJWPWXXVXRIE-UHFFFAOYSA-N 438.494 4.250 5 20 IIBD COc1cccc(CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C2CCC(O)CC2)c1 532579974 OTYAAZXMEOAULE-UHFFFAOYSA-N 441.528 4.046 5 20 IIBD CCOC(=O)c1nc(CC)oc1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 535685044 GAHYZGZZIFGVLX-UHFFFAOYSA-N 447.391 4.072 5 20 IIBD COc1cc(C(=O)NCc2cnn(C)c2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 536254157 SXYUQFSDXGIYEI-UHFFFAOYSA-N 430.848 4.021 5 20 IIBD CC[C@H](CSc1ccccc1[N+](=O)[O-])Nc1cccc(CN2CCC[C@H]2C(N)=O)c1 539651844 WLRDWGCBHACAIB-XLIONFOSSA-N 428.558 4.027 5 20 IIBD O=[N+]([O-])c1cc(CN2CC[C@@H](CN3CCOCC3)C2)ccc1Oc1ccccc1Cl 539835044 CKDIFTBZXSJTJH-SFHVURJKSA-N 431.920 4.195 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NCCc1ccon1 539874790 NTMBGRMPGRTNQF-SSZFMOIBSA-N 434.477 4.482 5 20 IIBD Cc1ccccc1C1CCN(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)CC1 541658099 WSHMPTXOLLEHNP-UHFFFAOYSA-N 437.525 4.203 5 20 IIBD COc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccn2)cc1[N+](=O)[O-] 541995534 XLQGDFNOOXSHTA-UHFFFAOYSA-N 444.451 4.170 5 20 IIBD COc1ccc(CCC(=O)N2CCCN(c3cc(C)nc4ccc([N+](=O)[O-])cc34)CC2)cc1 542102915 UYZOHKZJCBHUOO-UHFFFAOYSA-N 448.523 4.132 5 20 IIBD C[C@@H]1C[C@@H](CCNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 543203322 QMRXAZJQAMCHNZ-MOPGFXCFSA-N 448.523 4.311 5 20 IIBD CC(C)(C(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1F 546549959 LQSLTAWREOHMCO-UHFFFAOYSA-N 429.275 4.339 5 20 IIBD Cn1nc(-c2nc(-c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3)no2)c(=O)c2ccccc21 547197369 OVCGTRNVEJAJCP-UHFFFAOYSA-N 441.403 4.351 5 20 IIBD O=C1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)[C@H](C2CC2)N1 551333104 VAOLKLQNAMMQJJ-JXFKEZNVSA-N 445.928 4.186 5 20 IIBD O=[N+]([O-])c1cc(Br)cnc1N[C@H](c1cncc(Br)c1)C1CC1 553591797 UGRMURSSRBXCCA-ZDUSSCGKSA-N 428.084 4.473 5 20 IIBD CC(F)(F)c1ccc(-c2noc(-c3ccc(N4C(=O)CCC4=O)c([N+](=O)[O-])c3)n2)cc1 555022812 NJYUTZVKHXUHEC-UHFFFAOYSA-N 428.351 4.077 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H](C)Cc1ccccc1C(F)(F)F 555029589 HSKCJLUMLVEKHX-CYBMUJFWSA-N 437.418 4.204 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)Nc2ccc(Cl)c(F)c2N2CCOCC2)cc1[N+](=O)[O-] 558845397 URCMYMZVUSSAQN-CYBMUJFWSA-N 436.871 4.415 5 20 IIBD O=C(C1CCN(c2noc3ccc(Cl)cc23)CC1)N1CCc2c1cccc2[N+](=O)[O-] 559926913 GHQZOVWOUKQJOH-UHFFFAOYSA-N 426.860 4.195 5 20 IIBD COCCc1noc(-c2cc(Cl)ccc2NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 565812101 VJBFJGZAAIUMFT-LBPRGKRZSA-N 430.848 4.229 5 20 IIBD O=C(NC1(c2noc(CCCNc3ccc([N+](=O)[O-])cc3)n2)CCCC1)c1ccccc1 566822918 ALARWOZLYPRAQI-UHFFFAOYSA-N 435.484 4.222 5 20 IIBD O=C(Cc1noc(-c2ccccc2Sc2ccccc2[N+](=O)[O-])n1)NCc1ccco1 572524953 XBWQQAYKMABYKA-UHFFFAOYSA-N 436.449 4.248 5 20 IIBD Cc1cc(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cnc1N1CCCC[C@H]1C 572924607 ZHVRMMFWMATPLI-MRXNPFEDSA-N 425.489 4.104 5 20 IIBD CCOC1CC2(CCN(C(=O)c3ccn(-c4c(Cl)cc([N+](=O)[O-])cc4Cl)n3)C2)C1 574263508 BSVCLNVZCJEBNP-UHFFFAOYSA-N 439.299 4.119 5 20 IIBD CC[C@@H]1CN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H](C)[S@@]1=O 577800508 ZHTVJOBLSLAPPV-NARROWTCSA-N 438.553 4.179 5 20 IIBD CC[C@]1(CNCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])OCCc2ccccc21 580806176 ZOFHXTVNDTUIDI-JOCHJYFZSA-N 436.455 4.215 5 20 IIBD Cc1ccc(CN(C(=O)COc2cccc([N+](=O)[O-])c2)c2ccc3c(c2)OCCO3)s1 603621319 AWGPNTUMLKXKHR-UHFFFAOYSA-N 440.477 4.348 5 20 IIBD CC(C)CNC(=O)c1ccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1Cl 604005392 ZVUZPXBGULMXBK-UHFFFAOYSA-N 441.875 4.072 5 20 IIBD COc1ccc(NC(=O)CNc2cc(C(=O)Nc3ccccc3)ccc2C)c([N+](=O)[O-])c1 604008405 IUOGRCYRLZJKGK-UHFFFAOYSA-N 434.452 4.215 5 20 IIBD COc1cc([C@@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)ccc1OC1CCCC1 604036858 YJNGYAOSLSLKMZ-OAHLLOKOSA-N 434.514 4.273 5 20 IIBD COc1cc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 604041682 MDIIOAHRKMIMSF-MRXNPFEDSA-N 442.493 4.222 5 20 IIBD O=C(NCCCCn1ccnc1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 604416820 OUMKNQNNZAEQHA-UHFFFAOYSA-N 427.892 4.267 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 608877547 KHPXFNBVZBBAJP-VFNWGFHPSA-N 437.883 4.272 5 20 IIBD COc1cc(CCNC(=O)N2CCC[C@@H](c3ccccc3)CC2)c([N+](=O)[O-])cc1OC 608999956 VULBCNBVKALKCD-GOSISDBHSA-N 427.501 4.134 5 20 IIBD COc1ccc(CC[C@@H]2CCCCN2C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)cc1OC 609012029 NFJBPPNEQVHHMF-IBGZPJMESA-N 442.512 4.177 5 20 IIBD Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 609059528 JBZKNLPOJJHLBB-FQEVSTJZSA-N 442.479 4.463 5 20 IIBD CCOc1ccc(Br)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 609069781 QUIOYAGQMAOKKX-UHFFFAOYSA-N 435.683 4.210 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCCC1 609182519 RXXHMTVMCZCLCG-XOBRGWDASA-N 429.904 4.414 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)c([N+](=O)[O-])c1 609705908 SUCKGMUFXKZAAN-LJAQVGFWSA-N 444.534 4.153 5 20 IIBD CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1CCc2c1cccc2[N+](=O)[O-] 609974077 BHTHZQPXTOMBIK-XMMPIXPASA-N 431.492 4.021 5 20 IIBD COC(=O)[C@@H](CNC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1)CC(C)C 610201552 QNPAAVNFEADFSV-CQSZACIVSA-N 437.543 4.076 5 20 IIBD COC(=O)N1CCC[C@@H](NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 726554101 NFVMDDYMERHPDR-OAHLLOKOSA-N 433.848 4.001 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCC(C4OCCO4)CC3)cc2[N+](=O)[O-])cc1 726775522 IZMLEJPITOFIKV-UHFFFAOYSA-N 428.510 4.280 5 20 IIBD O=C(Nc1cccc(-c2cnco2)c1)c1ccc(I)c([N+](=O)[O-])c1 727755898 ISYYTHOPDQOPQL-UHFFFAOYSA-N 435.177 4.107 5 20 IIBD O=C(OCc1c(F)cccc1[N+](=O)[O-])c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 728994309 SXQOIXBTRMNPLY-OAQYLSRUSA-N 436.395 4.033 5 20 IIBD COc1cc(OCC(=O)O[C@H](c2ccc(Cl)cc2)c2cccnc2)ccc1[N+](=O)[O-] 730431995 YJJUVXPKOCDIII-OAQYLSRUSA-N 428.828 4.363 5 20 IIBD O=C(Nc1nnc(Cc2cccc(F)c2)s1)c1ccc(Br)c([N+](=O)[O-])c1 730502564 VNXCMLKOFTUPBN-UHFFFAOYSA-N 437.250 4.191 5 20 IIBD CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)ccc1F 730588345 DMNQQAOXIZCLDL-UHFFFAOYSA-N 442.407 4.118 5 20 IIBD CC(C)[C@H](OC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)N[C@@H]1CCOc2ccccc21 730645562 YHTDIXDORWMEAO-BEFAXECRSA-N 432.860 4.070 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N1CCC(n2cccn2)CC1 731354823 ZBFSBRXCWSRBHB-NRFANRHFSA-N 439.903 4.462 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 736865809 FAOUYFYIRJHEPL-JTQLQIEISA-N 427.240 4.403 5 20 IIBD O=C(Oc1ccccc1I)c1ccc([N+](=O)[O-])cc1Br 739516321 YAYGAZCZZDCHTB-UHFFFAOYSA-N 448.010 4.181 5 20 IIBD O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1ccc(S(=O)(=O)Cc2ccccc2)cc1 741182811 GGTRAOUXMWETJU-UHFFFAOYSA-N 429.425 4.065 5 20 IIBD Cc1ccc(C(=O)N2CCC[C@H](COC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)o1 744094462 ZRAXQDVSRNKHPV-ZDUSSCGKSA-N 440.374 4.224 5 20 IIBD Cc1cccc2sc(C(=O)OCCNc3ccc(C(N)=O)cc3[N+](=O)[O-])c(Cl)c12 744149346 WJPUSNGQZJNCDK-UHFFFAOYSA-N 433.873 4.139 5 20 IIBD O=C(OCCc1ccc(C(F)(F)F)cc1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 744218074 SJUKPNCPKRMNKQ-CQSZACIVSA-N 442.415 4.066 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OCc2csc(CCC(C)C)n2)ccc1[N+](=O)[O-] 744926885 CZCUKHQUGLOBDW-LJQANCHMSA-N 445.541 4.296 5 20 IIBD Cc1c(C(=O)N2CCC(N3c4ccccc4C[C@@H]3C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748725613 CAEXCWAZMLPOLX-AWEZNQCLSA-N 438.484 4.176 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(-n3cncn3)c(Cl)c2)CC1 749139877 RNWQNZFJNYQOLQ-UHFFFAOYSA-N 440.891 4.318 5 20 IIBD O=C(CN1CCc2sc(Br)cc2C1)Nc1cc(Cl)ccc1[N+](=O)[O-] 749466095 LIKJVFNTPZJWMF-UHFFFAOYSA-N 430.711 4.069 5 20 IIBD CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Br)c1 751089278 LHBBOKYSVOUFEQ-LBPRGKRZSA-N 434.290 4.272 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 752101591 NRYAUOKZBZLUJN-SUMWQHHRSA-N 437.290 4.459 5 20 IIBD CC(C)n1cnnc1-c1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Br 753270433 GBGHIMFJXOUHDI-UHFFFAOYSA-N 430.262 4.449 5 20 IIBD C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br 755023169 ZRGATFBZMCEIEE-RSNKEIGGSA-N 443.294 4.067 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl 755024006 ISDSUTBKOJRHOZ-UHFFFAOYSA-N 439.921 4.146 5 20 IIBD CCN(c1ccc(NC(=O)COC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1)C(C)C 755059723 GNLLQPRJHYZCGZ-HNNXBMFYSA-N 431.464 4.254 5 20 IIBD C[C@H](OC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)N(C)Cc1c(F)cccc1Cl 755065333 PSAHGAHJUHSFFQ-RYUDHWBXSA-N 440.830 4.220 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 755837157 MOZIQGJNMHBJDC-VCBZYWHSSA-N 429.473 4.172 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[C@H](OCCCc2ccccc2)C1 758626237 YWHBGSBDOKENEU-INIZCTEOSA-N 433.302 4.221 5 20 IIBD O=C(Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1)c1cnc2nccnc2c1 758827838 VVHWGPVWXBZOKR-UHFFFAOYSA-N 449.810 4.058 5 20 IIBD C[C@@H](Cc1nc(Cc2ccccc2[N+](=O)[O-])no1)C1CCN(C(=O)OC(C)(C)C)CC1 761343585 JLBCCRIKSJWYOT-HNNXBMFYSA-N 430.505 4.394 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CCC2(CCN(Cc3ccccc3)C2)CC1 762558621 JYSJZZHLYXBXPE-UHFFFAOYSA-N 436.512 4.044 5 20 IIBD COC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)OC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 763397211 FAEBJASUKPDRIF-PXAZEXFGSA-N 425.359 4.045 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 763652885 XPKSRGCWUANJQW-ZDUSSCGKSA-N 444.444 4.019 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@]2(CCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)C1 765028561 WKVYTCJMEROLSC-QFIPXVFZSA-N 428.489 4.083 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCO[C@H](c2cccc(Cl)c2)C1 768623427 ONZTUYUTLDADGW-HNNXBMFYSA-N 443.656 4.364 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](OC(=O)[C@H](O)c1ccccc1)c1ccccc1 768644157 DLSZJBWZVBVZNE-UXHICEINSA-N 440.839 4.205 5 20 IIBD COc1cc(CN(Cc2ccccc2)C[C@H](O)c2cccs2)c([N+](=O)[O-])cc1OC 769545301 OFHFESMHLYSBKV-IBGZPJMESA-N 428.510 4.409 5 20 IIBD O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc(Br)cc([N+](=O)[O-])c1 770536660 SBACFEHIKDYEBU-UHFFFAOYSA-N 448.185 4.278 5 20 IIBD Cc1cnc([C@H](C)OC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)o1 770924776 MAJIGDNVAXIJAN-LBPRGKRZSA-N 427.379 4.431 5 20 IIBD CCN(CC)C(=O)COc1ccc(N[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1Cl 774280041 BJFAYEQBHQVUFB-QZTJIDSGSA-N 449.939 4.288 5 20 IIBD O=C(NCCc1ccc(OC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Cl)cc1 776276080 GLBVVNASHCMYMB-QFIPXVFZSA-N 440.883 4.333 5 20 IIBD Cc1c(Br)cc(C(=O)N(C)c2cccc(Br)n2)cc1[N+](=O)[O-] 776379385 YYDYVNFAXIEUDC-UHFFFAOYSA-N 429.068 4.100 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc(Cc2ccccc2)no1 777371537 UGMVXVQZATYPLI-UHFFFAOYSA-N 426.498 4.391 5 20 IIBD Cc1cc(C(=O)N2CCC(C)CC2)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C 777923036 MEXZQQQMZOQFJQ-UHFFFAOYSA-N 449.504 4.024 5 20 IIBD CC(C)(C)OC(=O)N1CCOC[C@@H]1c1noc(-c2cc3cc([N+](=O)[O-])ccc3s2)n1 779580909 ACXLWPMALPUAKO-CYBMUJFWSA-N 432.458 4.168 5 20 IIBD C[C@H]1CCCC[C@@H]1N(C)C(=O)COC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781258260 ZMNPRHUWDVQRIK-RBZFPXEDSA-N 442.462 4.153 5 20 IIBD CC(C)[C@H](NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1F 782001213 FLJAXGNFTSXOOG-INIZCTEOSA-N 428.247 4.493 5 20 IIBD CCOc1cccc2cc([C@H](C)NC(=O)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)oc12 783297054 BDCINBFUAUQCQB-NSHDSACASA-N 431.832 4.209 5 20 IIBD CC(C)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1[N+](=O)[O-] 784258052 SBLQWYZFEOWBNF-NSHDSACASA-N 435.820 4.464 5 20 IIBD Cn1ccnc1[C@@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 787295610 MWGSFTHCQALZBQ-KRWDZBQOSA-N 435.362 4.135 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)S(=O)(=O)c1ccc(C(F)(F)F)cc1 788522109 PCKPLUPXQZLHJO-SNVBAGLBSA-N 427.360 4.199 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NOC[C@H]1CCOC1 788573398 DUYRELRSHFUYNF-KTZOAPACSA-N 439.493 4.220 5 20 IIBD CN(C(=O)c1cccs1)c1ccccc1C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 791571083 KAOAQBQTQWMPFG-UHFFFAOYSA-N 441.421 4.198 5 20 IIBD Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] 791576757 MWFVLCQEAVEUCY-UHFFFAOYSA-N 449.341 4.373 5 20 IIBD C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 799223336 HVLXHUIVFSOZIW-ZAUVIXRXSA-N 426.311 4.151 5 20 IIBD CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@H](c2ccncc2)C1 800331216 PXUCEFRENBGDAZ-SFHVURJKSA-N 446.891 4.077 5 20 IIBD Cc1nn(Cc2ccc(C(=O)OCc3nc(-c4ccccn4)cs3)cc2)c(C)c1[N+](=O)[O-] 800339944 MJJHSZDSLREPQF-UHFFFAOYSA-N 449.492 4.332 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1c1ccccc1 800376239 RACZYIFJQHHQFA-ZWKOTPCHSA-N 445.903 4.381 5 20 IIBD CSc1c(F)cccc1C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 801699129 VXTOJHSIVLVTOZ-UHFFFAOYSA-N 432.214 4.313 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)cc1Br 809101274 XSJNXSKMSBARPQ-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD Cc1csc(Nc2ccc(C(=O)OCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cc2)n1 811320118 IZEYQUMXFRXOPY-UHFFFAOYSA-N 430.417 4.038 5 20 IIBD COc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl 815407555 ZBEPZWJPZJMSHQ-JTQLQIEISA-N 427.240 4.403 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1-c1nc(-c2ccccc2F)no1 904773894 LTTSMRNJZMLSTR-UHFFFAOYSA-N 425.157 4.364 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@H](c1ccc(C(C)C)cc1)C(C)C 915663904 VGAJKLOTDXEQSX-QHCPKHFHSA-N 428.485 4.432 5 20 IIBD CCNc1ccc(C(=O)O[C@@H](C)C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1[N+](=O)[O-] 916470746 UDRPXLDTRZJTKV-AWEZNQCLSA-N 441.484 4.439 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C)C(=O)c1ccc(OC(F)F)cc1 916522808 NLCKQORCUUYVSY-NEPJUHHUSA-N 425.409 4.491 5 20 IIBD COc1c([N+](=O)[O-])cc(NCCO[C@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1Br 917074980 NTVVFYHRQHUROM-GWCFXTLKSA-N 432.271 4.281 5 20 IIBD CN(Cc1ccccc1F)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 917257890 VHJRZGDAHOEZBT-UHFFFAOYSA-N 438.411 4.342 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cccc(C(F)(F)F)c2)cc1Br 917842989 AFFXVCGGAQBVBX-UHFFFAOYSA-N 426.166 4.144 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@@H](C)c1cccc(Cl)c1 918765322 OXGIVIHVWPFGLS-SCLBCKFNSA-N 436.917 4.404 5 20 IIBD CC1=NN(c2ccc(C(=O)O[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2)CC1 919143076 XTNOJIRIRXDZBQ-CYBMUJFWSA-N 430.848 4.018 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@H](C)Oc1cccc(C(C)(C)C)c1 919406124 DVFSBFZWNLPHHO-CABCVRRESA-N 444.484 4.239 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)N(Cn1nc(-c3cccs3)n(C[C@H]3CCCO3)c1=S)CC2 919948120 UCBOINQLRHGQAF-MRXNPFEDSA-N 443.554 4.250 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O 921275964 HPDDHZDQLCGHRL-YVLHZVERSA-N 445.884 4.023 5 20 IIBD Cc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1NC(=O)CN1CCCCC1 921289047 OJMCQWLYKAZKDU-UHFFFAOYSA-N 430.892 4.233 5 20 IIBD O=[N+]([O-])c1ccc(CN[C@@H](CO)c2ccc(Br)c(F)c2)c(Br)c1 1261224751 ZJGJBFJGAVNJDN-HNNXBMFYSA-N 448.086 4.082 5 20 IIBD C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1319482090 JDKUEQZPGIZVTN-UONOGXRCSA-N 427.892 4.331 5 20 IIBD Cc1nc(-c2ccc3c(c2)CCN3C(=O)COC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cs1 1321843151 KHXGHSFOZBJLTJ-WTKPLQERSA-N 449.488 4.172 5 20 IIBD COc1ccccc1-c1noc([C@@H](C)NCc2ccc([N+](=O)[O-])cc2Br)n1 1324151473 YOOLHMPRNLQJTE-LLVKDONJSA-N 433.262 4.267 5 20 IIBD COc1cc(CC(=O)Nc2ccc(C3(NC(=O)CC4CC4)CCC3)cc2)ccc1[N+](=O)[O-] 1790477856 CJJFUHYROVATHM-UHFFFAOYSA-N 437.496 4.080 5 20 IIBD C[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1cccc([N+](=O)[O-])c1)c1cccs1 1793944188 MRTZTEVORFSEDI-OQIJWPOYSA-N 441.553 4.031 5 20 IIBD C[C@@H]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1828478136 CSXQHFFZCDQWCM-SXSPYAJSSA-N 441.572 4.193 5 20 IIBD COc1cccc(Nc2nnc(S[C@@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)s2)c1 10267549 BRGZQYBQGCWRMG-JTQLQIEISA-N 449.489 4.457 5 20 IIBD COc1ccccc1N(C(C)=O)c1nc(COC(=O)c2cccc([N+](=O)[O-])c2C)cs1 11397480 OBWXMEAWCIAEMR-UHFFFAOYSA-N 441.465 4.410 5 20 IIBD Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cc2)cc1 15592270 ATUJMLKEEXSXLZ-UHFFFAOYSA-N 443.456 4.120 5 20 IIBD CCOc1ccc(-c2nc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)sc2C)cc1 20675964 SUMIDMLSVYXPJV-UHFFFAOYSA-N 441.465 4.449 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1I 23120043 YOMROVFUZUCLHZ-SNVBAGLBSA-N 428.251 4.319 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c(F)cc1F 31026984 GSEZVDCIJAEUFV-STQMWFEESA-N 447.438 4.394 5 20 IIBD CCN(CC)C(=O)C1(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCCC1 64934487 VXQUKIFNGZAKHQ-UHFFFAOYSA-N 430.530 4.019 5 20 IIBD COc1ccccc1C1(CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCCC1 65140264 UJQSWJZMQRMWAR-UHFFFAOYSA-N 434.496 4.246 5 20 IIBD CC(C)CCSc1ccc(C(=O)N[C@H](C)C(=O)NCc2ccccc2)cc1[N+](=O)[O-] 108836015 WNKYVVHUPLAZHP-MRXNPFEDSA-N 429.542 4.168 5 20 IIBD Cc1ccc(-c2csc(NC(=O)CCCNC(=O)c3ccsc3)n2)cc1[N+](=O)[O-] 248012077 YSKVICZOBLGPMV-UHFFFAOYSA-N 430.511 4.237 5 20 IIBD CCN(CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1cccc(OC)c1 248245268 LNNDORXHBVOQFT-HSZRJFAPSA-N 440.544 4.017 5 20 IIBD C[C@H](Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 301089544 QPWSFBMQQHCSRJ-AWEZNQCLSA-N 437.481 4.445 5 20 IIBD C[C@H](c1ccccc1)N1CCC(Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 301315438 MJKDHKIGVOUUPL-CQSZACIVSA-N 439.484 4.229 5 20 IIBD CC(C)NC(=O)c1ccc(N2CCC[C@H](c3nc4c(s3)CCCC4)C2)c([N+](=O)[O-])c1 301736148 VCBWNKBUAHBEAW-INIZCTEOSA-N 428.558 4.452 5 20 IIBD Cc1csc(-c2cccc(S(=O)(=O)N3CCS[C@@H]3c3ccc([N+](=O)[O-])cc3)c2)n1 409475065 HCHGREYEXRPNRU-LJQANCHMSA-N 447.563 4.463 5 20 IIBD CN(C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCCN(c2ccccc2)C1 426272750 ZUSOJJGNIRPKFN-GOSISDBHSA-N 436.434 4.424 5 20 IIBD COc1cccc([C@H](CC(=O)O)NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1OC 426799608 IXFPOQSNQGTDLE-SFHVURJKSA-N 426.425 4.178 5 20 IIBD C[C@H](Cc1ccccc1C(F)(F)F)Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] 428148141 VIQDOBLWRZVYDD-CQSZACIVSA-N 437.418 4.129 5 20 IIBD Cc1ccc([C@H](C)N2C(=O)[C@@H](c3cccc(Br)c3)N(C)C2=O)cc1[N+](=O)[O-] 431955413 VCOLDINMRRGWGD-YVEFUNNKSA-N 432.274 4.362 5 20 IIBD O=C(CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)Nc1cc(Cl)ccc1Cl 432220075 VPWWYJASIGXHGR-UHFFFAOYSA-N 447.072 4.033 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2C[C@@H](c3ccccc3)C(C)(C)C2)cc1[N+](=O)[O-] 434106423 LSTGTMDPRSFZOH-KRWDZBQOSA-N 437.525 4.140 5 20 IIBD CN(CCCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)Cc1ccccc1 435935354 JERXWDNHMBPVQF-UHFFFAOYSA-N 435.474 4.211 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCCN(Cc2ccc(F)cc2)CC1 435940734 YTSSVDQDWSDXOU-UHFFFAOYSA-N 429.495 4.169 5 20 IIBD COc1cccc(CN(C)C(=O)c2cccc([N+](=O)[O-])c2O)c1OCc1ccccc1F 436674715 IUXHMFKLKOTJBO-UHFFFAOYSA-N 440.427 4.299 5 20 IIBD Cc1ccc(NC(=O)c2ccc(Nc3ccc4c(c3)N(C)C(=O)CO4)c([N+](=O)[O-])c2)cc1 439363540 WMDRXVSACFJLPT-UHFFFAOYSA-N 432.436 4.254 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1 439921917 ZYWGNBOMKIHIPM-KRWDZBQOSA-N 442.516 4.015 5 20 IIBD O=C(Nc1cc2c(cc1Br)CCC2)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 443862802 VTMDXMYGRLWYGB-UHFFFAOYSA-N 427.258 4.284 5 20 IIBD O=C(Cc1noc(CSc2ccc([N+](=O)[O-])cc2)n1)Nc1ccccc1Br 445480743 IWAPGOBPUOKDQG-UHFFFAOYSA-N 449.286 4.214 5 20 IIBD CN(Cc1nc(C(F)(F)F)cs1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br 445954175 YQIMKTXFICHESQ-UHFFFAOYSA-N 438.225 4.034 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])cc(Br)c1=O)c1ccc(Oc2ccccc2)cc1 446570868 AJONYNVBCPEJIT-UHFFFAOYSA-N 429.226 4.194 5 20 IIBD COc1ccc(C(=O)Nc2ccccc2C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 446883254 JECBSCBVPZQIFT-UHFFFAOYSA-N 431.448 4.054 5 20 IIBD Cn1cnnc1Sc1ccc(-c2nc(-c3cccc(Cl)c3F)no2)cc1[N+](=O)[O-] 460520568 NTRADBOGGYNTHZ-UHFFFAOYSA-N 432.824 4.384 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC(c2cccc(Br)c2)CC1 462065259 BEUAKBBBJHBFOM-UHFFFAOYSA-N 439.331 4.067 5 20 IIBD O=C(NC1CCCCC1)C1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 462488908 JCJCCKQXRSCCMP-UHFFFAOYSA-N 438.528 4.234 5 20 IIBD O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 462649034 URVUGXHDOGKPRY-CZIWCDLHSA-N 441.285 4.219 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccnn2[C@H]2CCCc3ccccc32)c2ncccc12 463516289 MFECFCVPYRDSGR-SFHVURJKSA-N 449.492 4.066 5 20 IIBD Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1 464039759 MGCKOGYRBQHYED-WOJBJXKFSA-N 437.496 4.386 5 20 IIBD CCN(CC)CCOC1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 465260368 QLZAQJOZGYQGHH-UHFFFAOYSA-N 440.544 4.301 5 20 IIBD O=C(N[C@H](c1ccccc1)c1nccs1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465885987 FFFRJNBJHQLDNT-HXUWFJFHSA-N 438.509 4.394 5 20 IIBD CC(C)[C@H](CCO)NC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 465972758 LWVUZYAVVVJOCI-KRWDZBQOSA-N 439.871 4.386 5 20 IIBD NC(=O)C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C1 467753110 ISNDTLIDZQVMMD-CYBMUJFWSA-N 433.917 4.127 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCc1cn2cc(Br)cc(C)c2n1 475571245 VHPYODNUEJLGKT-UHFFFAOYSA-N 446.305 4.294 5 20 IIBD O=C(NCc1ccc(OCCO)cc1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 476077431 GPFNCZDHJNIXSZ-UHFFFAOYSA-N 442.855 4.342 5 20 IIBD CC(C)(NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1ccc(OC(F)(F)F)cc1 476478980 CNSMJVAHYOXQLJ-UHFFFAOYSA-N 435.358 4.412 5 20 IIBD COc1ccc2oc([C@@H](C)Nc3ccc(S(=O)(=O)N(C)C)cc3[N+](=O)[O-])c(C)c2c1 477099394 KLIHDPLSACGNGJ-CYBMUJFWSA-N 433.486 4.081 5 20 IIBD Cc1cccc(CC2(O)CCN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)c1 477682157 VMCPHYOSRNKHNC-UHFFFAOYSA-N 437.521 4.237 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 478179553 KPZMETWNQIRHKU-NZVBXONLSA-N 426.803 4.289 5 20 IIBD CCCCn1ccnc1-c1cccc(NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 478630171 KUMQFGXFAQGYGG-UHFFFAOYSA-N 436.468 4.211 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)c1[N+](=O)[O-] 481017204 VHEAOCGUPRDWOH-QGZVFWFLSA-N 441.509 4.225 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1cc(Cl)ccc1N1CCOCC1 481574296 RWVAAAOHEILMNI-UHFFFAOYSA-N 439.299 4.102 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@@]2(CCCOC2)O1 484874014 WDTXBOGPCXVKSP-OYHNWAKOSA-N 446.887 4.451 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(Cc2cscn2)CC1 485867549 FUPYCIATCRGHSB-UHFFFAOYSA-N 434.587 4.148 5 20 IIBD Cc1c(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)nnn1Cc1ccc(C(F)(F)F)cc1 486190038 HQJCOECJXZZGDX-UHFFFAOYSA-N 447.417 4.227 5 20 IIBD Cc1cc(Br)cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 486600852 JAQPJQTVJZFQLZ-SFHVURJKSA-N 446.301 4.217 5 20 IIBD COc1cc([C@@H](C)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc(OC)c1OC 489835412 IVTGDZXVAKLGAL-CQSZACIVSA-N 429.473 4.056 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Br)ccc1O 490037662 XVKNBGFNXULZOK-UHFFFAOYSA-N 427.276 4.054 5 20 IIBD COc1cc([C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2C)C(F)(F)F)cc(OC)c1OC 491364690 ALWPVCHHJMPUGU-KRWDZBQOSA-N 443.378 4.354 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)cc1[N+](=O)[O-] 491682393 XZGZYHWKOQKLQQ-GDLZYMKVSA-N 444.534 4.320 5 20 IIBD CCOC(=O)[C@H]1CCCc2sc(NC(=O)[C@H](CC)Cc3ccc([N+](=O)[O-])cc3)nc21 493859853 DEVLYMKBGZOWGL-ZBFHGGJFSA-N 431.514 4.242 5 20 IIBD CCN(CC)Cc1ccccc1CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 494178593 GJGQFWSLZJHJQH-UHFFFAOYSA-N 438.450 4.455 5 20 IIBD C[C@H](N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 494498712 WJIWWTQWASFJRT-RWRYZHGASA-N 442.274 4.488 5 20 IIBD CC(C)(CNC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1ccc(F)cc1Cl 497860538 PMJYVYRCVDNHOH-UHFFFAOYSA-N 426.897 4.179 5 20 IIBD Cc1ccc(C[C@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 499240105 TZBHNZNVKIOSGR-FYYLOGMGSA-N 435.524 4.050 5 20 IIBD CCN(CC)CCOc1cc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)ccc1OC 500155606 KKIIRVPDQYRGJK-UHFFFAOYSA-N 426.473 4.058 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@]2(Cc3ccc(Cl)cc3)CCOC2)cc1SC 500306069 QPJTVBLHVQEYCL-HXUWFJFHSA-N 436.917 4.110 5 20 IIBD COCCN(C(=O)COc1ccccc1[N+](=O)[O-])[C@H](C)c1cccc(C(F)(F)F)c1 500324861 RNQXIHUGUWJRJF-CQSZACIVSA-N 426.391 4.229 5 20 IIBD CCOc1cc(/C=C\c2ccncn2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 500380787 MEXZECXMYONTQU-HYXAFXHYSA-N 435.436 4.399 5 20 IIBD COC(=O)[C@@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccc(C)cc1 500995737 WGDRJCLGTUFENC-NRFANRHFSA-N 447.491 4.202 5 20 IIBD C[C@@]1(F)CCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)C1 501432969 DVVPHSVEYWCYMJ-PKOBYXMFSA-N 436.281 4.471 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCCCc3ccc(Cl)cc3)cc2)c(C)c1[N+](=O)[O-] 503331226 FYAGEXLQGVZJRK-UHFFFAOYSA-N 426.904 4.472 5 20 IIBD COc1cc(CN(C)Cc2ncc(-c3ccccc3)[nH]2)c([N+](=O)[O-])cc1OCC(F)F 505562604 VBQLYCAMZSJYGT-UHFFFAOYSA-N 432.427 4.269 5 20 IIBD CN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@@H]1CCSc2ccc(Br)cc21 505981323 JRFXYLMLBXERKY-OAHLLOKOSA-N 436.331 4.465 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2cn(C)nc2C(F)(F)F)cc1[N+](=O)[O-])c1ccccn1 508235431 IXUHFUBCGCIFCK-NSHDSACASA-N 434.378 4.168 5 20 IIBD CCOc1cc(C)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1I 508960271 PWSVHZXGVZCNSQ-UHFFFAOYSA-N 426.210 4.159 5 20 IIBD CC(C)OCc1ccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 509031503 LJHRYMVGMYSART-UHFFFAOYSA-N 427.486 4.052 5 20 IIBD CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 509681123 TWWGTQKSBYNLFA-UHFFFAOYSA-N 437.290 4.345 5 20 IIBD C[C@@H](NC(=O)Nc1cc(Br)ccc1N1CCOCC1)c1cccc([N+](=O)[O-])c1 511031841 OCENFOFYFKTPGU-CYBMUJFWSA-N 449.305 4.077 5 20 IIBD CNS(=O)(=O)c1ccc(C)c(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1 512609637 OMCWVOZOVAMADX-UHFFFAOYSA-N 435.889 4.337 5 20 IIBD CCOc1cc(NC(=O)c2cc(OC)ccc2Br)c([N+](=O)[O-])cc1OCC 514864539 RTFFSIIMWYINOJ-UHFFFAOYSA-N 439.262 4.416 5 20 IIBD COc1cc(C(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)c([N+](=O)[O-])cc1OC 514994822 XOYQMZWSUFOAIM-UHFFFAOYSA-N 438.484 4.407 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC1(Cc2ccc(F)cc2Cl)CCOCC1 515245519 VEMSVWASGANIGS-UHFFFAOYSA-N 449.910 4.488 5 20 IIBD CCN(CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1cccc(OC)c1 516632923 SUHWBLKPXCLHBC-LJQANCHMSA-N 439.434 4.435 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 517837737 YFTBPPZQZRSNHB-UHFFFAOYSA-N 440.843 4.033 5 20 IIBD CCN(CC)[C@@H](CNc1ccc(C(=O)NC)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 518911142 PJHPKYQLWRTPPL-IBGZPJMESA-N 438.450 4.468 5 20 IIBD C[C@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 521246775 QLIXCSLHLYISBH-HCXYKTFWSA-N 439.560 4.259 5 20 IIBD CC(NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])(c1ccccc1)c1ccccc1 522668787 SRWDZAIJDXIDQB-UHFFFAOYSA-N 437.883 4.058 5 20 IIBD O=C(Nc1nc2ccccc2n1CCc1ccccn1)c1c[nH]c2cc([N+](=O)[O-])ccc12 530890647 FNTBXSAYTVNBJD-UHFFFAOYSA-N 426.436 4.316 5 20 IIBD CN(CC(=O)Nc1cc(N(C)Cc2cccs2)ccc1[N+](=O)[O-])Cc1cccs1 532469032 LGVPHKURUFUQSQ-UHFFFAOYSA-N 430.555 4.425 5 20 IIBD O=[N+]([O-])c1cc(CNC2(c3cccc(Br)c3)CCOCC2)c2c(c1)COCO2 533348876 ZTRNSNJEDKJRLY-UHFFFAOYSA-N 449.301 4.019 5 20 IIBD C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 533379057 SWNFWKYNQHZIAA-LAUBAEHRSA-N 431.496 4.490 5 20 IIBD CC(C)CNC(=O)c1ccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1Cl 535353242 DOTFVTDGWBYNQJ-UHFFFAOYSA-N 428.876 4.297 5 20 IIBD Cc1ccc(SC2CCCC2)c(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 537349796 UROYWTITOCWWCX-UHFFFAOYSA-N 426.542 4.295 5 20 IIBD COCCC[C@H](C)C(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 537573778 KNERURPFRRYJFQ-KRWDZBQOSA-N 431.558 4.030 5 20 IIBD COc1cc(CN[C@H](c2ccc3c(c2)OCCO3)C(C)C)c([N+](=O)[O-])cc1OC(F)F 538142314 YOEFNSYTLMEDNU-FQEVSTJZSA-N 438.427 4.463 5 20 IIBD Cc1cc(NC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])n([C@@H]2CCN(Cc3ccccc3)C2)n1 539255206 AOCGCZCUOLRQKB-UYAOXDASSA-N 448.527 4.429 5 20 IIBD O=C(N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 539444632 KNEBTNYXGMRMOT-WMZOPIPTSA-N 431.420 4.257 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 543458534 BPCWCFGPYCYEBB-PWSUYJOCSA-N 438.410 4.432 5 20 IIBD COc1cc(-c2nc(Cc3ccnn3C)no2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 545712047 PQCVZOGYVGEZPB-UHFFFAOYSA-N 441.831 4.423 5 20 IIBD CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 546890812 IQCGCNCCSDTXES-SFHVURJKSA-N 432.318 4.094 5 20 IIBD O=C(CC(F)(F)F)Nc1ccc(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 549375222 IUUPRZDYYOZGSB-UHFFFAOYSA-N 430.770 4.461 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1noc(C2(Cc3ccc(F)cc3)CCOCC2)n1 550997842 NTZBOCABLROSND-UHFFFAOYSA-N 426.448 4.062 5 20 IIBD O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N[C@@H](c1ccccc1)C1CCCC1 556515378 SFNZNEKMUCDGJZ-SFHVURJKSA-N 446.301 4.344 5 20 IIBD Cc1c(CC(=O)Nc2nc(-c3ccc(Br)cn3)cs2)cccc1[N+](=O)[O-] 559301593 IZGITCGOHHIFOH-UHFFFAOYSA-N 433.287 4.365 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1CCC[C@H]1c1ncon1 564360876 GRCCZGIPLZOGPP-ROUUACIJSA-N 427.848 4.148 5 20 IIBD CC1(C)CCC[C@@H](c2noc([C@@H]3CCCN3S(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)C1 570760163 AKJIFDBLWUJPKX-PBHICJAKSA-N 434.518 4.187 5 20 IIBD COC(=O)c1nc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)sc1C(C)C 573602910 PUHCUDHLLIUOGL-UHFFFAOYSA-N 432.483 4.337 5 20 IIBD CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)[C@H]2C1 577916975 IUDSCDXTVMXDFM-YYWHXJBOSA-N 445.585 4.254 5 20 IIBD CNc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCc3sccc3C2)cc1[N+](=O)[O-] 603667783 LELJMBFRHRHLGB-NRFANRHFSA-N 436.537 4.227 5 20 IIBD O=C(NCCNc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 603748745 SHJSNXZMFCBXLH-GDNZZTSVSA-N 442.360 4.215 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@@H](c2nc3ccccc3s2)C1 603777279 LTAKWYWTDOXGKF-OAHLLOKOSA-N 433.493 4.410 5 20 IIBD CCCc1ccc([C@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C(C)C)cc1 603794832 UNMTWXJJEIGAHU-JOCHJYFZSA-N 425.533 4.171 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccc(Br)o2)c1 603999717 GWYGWBWKUCGYPS-UHFFFAOYSA-N 444.241 4.133 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ncn(Cc3ccccc3)n2)cc1[N+](=O)[O-])c1ccccn1 604310498 RZPOOWXDFOZZKR-INIZCTEOSA-N 443.467 4.055 5 20 IIBD Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 604534409 BQSZSJDCOHPZQV-ZDUSSCGKSA-N 449.305 4.055 5 20 IIBD Cc1ccc(COc2ccc(C[C@H](C)NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)cc2)cc1 608899573 AWCYXRNBRGRMIY-SFHVURJKSA-N 436.512 4.161 5 20 IIBD COc1cc(C(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)c([N+](=O)[O-])cc1OC 609305046 VUQJWECOAXOKSV-UHFFFAOYSA-N 428.470 4.042 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccccc1CN(C)C(=O)c1cccs1 610000293 WZXCOGHBQMKTJX-UHFFFAOYSA-N 438.509 4.288 5 20 IIBD CSc1cc2c(cc1NC(=O)c1ccc([N+](=O)[O-])cc1Br)OCCO2 610043397 SIJCRGOSBSVIDN-UHFFFAOYSA-N 425.260 4.103 5 20 IIBD O=C(N[C@H]1C[C@@H]1c1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1Br 610043905 XCYFGTLLSGMXED-HIFRSBDPSA-N 440.091 4.406 5 20 IIBD COc1cc(CCNC(=O)[C@H](C)c2ccccc2C(F)(F)F)c([N+](=O)[O-])cc1OC 610238203 PDJZSVAASZFEAG-GFCCVEGCSA-N 426.391 4.093 5 20 IIBD CC(=O)N[C@@H]1Cc2ccccc2N(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 611207478 PXHYJAIXTZGLLX-QGZVFWFLSA-N 439.537 4.337 5 20 IIBD COC(=O)C(C)(C)[C@H]1CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 611334043 MLLJWSZWPXSQAN-IBGZPJMESA-N 439.512 4.258 5 20 IIBD O=C(N[C@H](CC(F)(F)F)c1ccc(Br)cc1)c1ccc([N+](=O)[O-])c(O)c1 612571099 XTFVZCWYCULYCI-GFCCVEGCSA-N 433.180 4.486 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 672816427 ZYFZZMFVQOPUCV-KBPBESRZSA-N 428.332 4.494 5 20 IIBD Cc1nn(CCC(=O)O[C@@H](C)c2ccc(NC(=O)c3ccccc3)cc2)c(C)c1[N+](=O)[O-] 726735269 HPEKVRACGSUTMW-KRWDZBQOSA-N 436.468 4.355 5 20 IIBD C[C@H](OC(=O)c1cccc2c1ccn2C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 727027774 OCLVJILLTGCDPY-NSHDSACASA-N 435.358 4.289 5 20 IIBD O=C(C1=NN(c2ccccc2)C(=O)CC1)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 728166974 QVYDPPVLHJTIPT-UHFFFAOYSA-N 426.860 4.174 5 20 IIBD C[C@H](OC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 728922169 MVSMYIMSDHHPGG-KRWDZBQOSA-N 446.525 4.006 5 20 IIBD COc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 730573183 YJKSGDZLHLDUCW-UHFFFAOYSA-N 426.859 4.148 5 20 IIBD CC(=O)c1ccc(-c2ccc(C(=O)O[C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)o2)cc1 731502442 NFQNANBCQVZOLB-FQEVSTJZSA-N 434.404 4.020 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)c(C(F)(F)F)c1 732667193 KPAZXTHPBRNPIC-SFHVURJKSA-N 429.826 4.123 5 20 IIBD O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cc([N+](=O)[O-])ccc1Cl 733937270 NIVVLSUCKCXDMZ-NSHDSACASA-N 429.782 4.156 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)OC1CCN(c2ccc(Cl)cn2)CC1 735218577 BPYKQWLFGJEFGH-UHFFFAOYSA-N 447.922 4.415 5 20 IIBD Cn1cc([N+](=O)[O-])cc1C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 735457245 DVUYCAWLLSMSLD-UHFFFAOYSA-N 448.794 4.356 5 20 IIBD C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F 738777072 XKXXBWSCTVCCID-NSHDSACASA-N 428.338 4.113 5 20 IIBD COc1ccccc1-c1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2Br)no1 739577523 AYVHHXXAJSWZAR-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD CCOc1ccc(-c2noc(COC(=O)c3ccc([N+](=O)[O-])cc3Br)n2)cc1 740422897 OSJMTRNNZQKPHF-UHFFFAOYSA-N 448.229 4.163 5 20 IIBD C/C(=C\C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(C(F)(F)F)cc1 740790225 GQYAAKWZBHZPSK-CCEZHUSRSA-N 447.413 4.002 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@@H](Cc1ccccc1)c1ccccc1F 741102825 JVMCOSZNYRTDDV-IBGZPJMESA-N 441.846 4.426 5 20 IIBD C[C@@H](OC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ncc(-c2ccccc2)o1 741312543 HBMRUUKETONTRG-CQSZACIVSA-N 437.408 4.242 5 20 IIBD C[C@@H](OC(=O)c1ccc2ncccc2c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 743209760 JRQKXCNPKJCFEP-LLVKDONJSA-N 433.342 4.346 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3cc(Cl)ccc3OC)CC2)ccc1[N+](=O)[O-] 744204903 SOKHWLOPEYFWNC-UHFFFAOYSA-N 434.876 4.481 5 20 IIBD O=C(OCc1ncc(-c2ccc(Br)cc2)o1)c1cc2c(cc1[N+](=O)[O-])OCO2 744511399 AMDGYLHCQGRSIA-UHFFFAOYSA-N 447.197 4.098 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)OCC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 745334528 UFHWRPDDYPXMFO-SFHVURJKSA-N 437.279 4.351 5 20 IIBD O=C(COc1ccccc1C(=O)OCc1ccc([N+](=O)[O-])cc1F)Nc1ccccc1F 746900461 WMTTXBSPUWCNNZ-UHFFFAOYSA-N 442.374 4.248 5 20 IIBD COc1ccc(-c2noc(COC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)n2)cc1 747957732 RZERZONRHXDJIU-UHFFFAOYSA-N 438.421 4.134 5 20 IIBD CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 747963771 RNGHSVDKDVDWTA-CYBMUJFWSA-N 425.466 4.465 5 20 IIBD Cc1oc(-c2cccs2)nc1C(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 750427996 YCNYXRXZJLBPHM-UHFFFAOYSA-N 428.470 4.088 5 20 IIBD NC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 750820526 UAWGTVSCDJKLCD-UHFFFAOYSA-N 446.282 4.437 5 20 IIBD COc1ccccc1CN(C[C@H]1CCCO1)C(=O)c1cc([N+](=O)[O-])ccc1Br 751088314 FEDYZEDPLAHZMD-MRXNPFEDSA-N 449.301 4.187 5 20 IIBD CC(C)(NC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 752441731 DPQRVYOREILESL-UHFFFAOYSA-N 425.363 4.371 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])c(Br)c1 752557342 OFDNEBMLFYPKMP-NSHDSACASA-N 439.237 4.297 5 20 IIBD O=C(Cc1c[nH]c2cccc(Br)c12)O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 754545942 QCMBLSZEXZJNHS-JKSUJKDBSA-N 447.289 4.305 5 20 IIBD COC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)OC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F 755055533 OVOSZGMXKICJNY-APPDUMDISA-N 443.349 4.184 5 20 IIBD COc1c(F)ccc(F)c1C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 755073450 AXKXFXABBSCPHL-UHFFFAOYSA-N 428.347 4.353 5 20 IIBD Cc1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(OCCC(C)C)c1 756258526 RIRIKKUQEGDNPF-UHFFFAOYSA-N 433.892 4.236 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 756693112 DZIVWZFUXLKFAN-UHFFFAOYSA-N 427.457 4.149 5 20 IIBD CCOc1ccccc1NC(=O)[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1N)c1ccccc1 758967805 XEPJSEFBIDLWIN-NRFANRHFSA-N 435.436 4.113 5 20 IIBD C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Br 760881748 QJODYGKZCMQPBT-QVDMIQRCSA-N 446.345 4.244 5 20 IIBD Cc1ccccc1NC(=O)Cc1nc(COC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)cs1 763402475 BSEBHMISOHGGNN-HNNXBMFYSA-N 439.493 4.388 5 20 IIBD COC(=O)Nc1cc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cc(C(F)(F)F)c1 764322197 NIOFIIZTUUDGOD-UHFFFAOYSA-N 449.345 4.434 5 20 IIBD C[C@@H](OC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1)c1ccccc1[N+](=O)[O-] 764588451 PYZGWICFDHAZEF-FZKQIMNGSA-N 447.285 4.266 5 20 IIBD COCCN([C@@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1csc([N+](=O)[O-])c1 768831555 FFCZGCPKPYFFAF-NSHDSACASA-N 438.449 4.073 5 20 IIBD C[C@H](CC(=O)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1)c1ccncc1 768961184 KYQUTBQPVYOKGO-YLJYHZDGSA-N 425.485 4.112 5 20 IIBD COc1ccccc1[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)c1ccco1 769755635 FGLXFWDYTJJQBZ-IBGZPJMESA-N 425.397 4.241 5 20 IIBD C[C@@H](NC1(CNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CCOCC1)c1ccccc1 770003600 QKUTZVCVYBSODY-OAHLLOKOSA-N 432.908 4.270 5 20 IIBD CC(C)Oc1cccc([C@@H](O)CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 771764725 IWJRAEONZXTQQQ-KRWDZBQOSA-N 427.379 4.256 5 20 IIBD O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 774362016 MLUVOWDIBKSVNL-UHFFFAOYSA-N 429.782 4.356 5 20 IIBD COC[C@@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 775442775 KIIZNVOOUIXGRA-OAHLLOKOSA-N 431.798 4.183 5 20 IIBD C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 778151016 WIQLGBPKZPGNBN-OKILXGFUSA-N 446.529 4.188 5 20 IIBD Cc1nnc(S)n1-c1cccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1 780975802 QBGORGQTZVDJHP-UHFFFAOYSA-N 427.489 4.111 5 20 IIBD O=C(Nc1cccc(CC[C@@H](O)c2ccccc2)c1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 782005506 AYUAKPFKBBECJN-RPWUZVMVSA-N 445.475 4.393 5 20 IIBD Cc1c(Br)cc(C(=O)OCc2cncn2Cc2ccccc2)cc1[N+](=O)[O-] 784349848 GXTKMTMALTXTRX-UHFFFAOYSA-N 430.258 4.268 5 20 IIBD CCCN(C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ccccc1C 786222027 ZUIQAVUKPSCOIA-MRXNPFEDSA-N 442.472 4.010 5 20 IIBD Cn1cc(-c2ccc(F)c(C(=O)O[C@H]3CCCN(c4ccc(F)cc4[N+](=O)[O-])C3)c2)cn1 787033473 VJOPZCFLJTZVSV-KRWDZBQOSA-N 442.422 4.099 5 20 IIBD C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 787341057 KIYIJUQWFNZPNP-PIGZYNQJSA-N 429.370 4.064 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)O[C@@H](C)C(=O)c2ccccc2C(F)(F)F)cc1[N+](=O)[O-] 789031452 GCMVTZSIJRVUCR-JTQLQIEISA-N 426.303 4.258 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 791526565 VIJKXBVLEWZSKS-OAQYLSRUSA-N 448.387 4.314 5 20 IIBD O=C(O[C@H]1CCOC1=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2 791624730 OWSUEOBJXOCVKK-XHVGKJTDSA-N 444.443 4.492 5 20 IIBD Cc1ccc(OCCC(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1 791795529 QIOHZIMLTVWNNV-UHFFFAOYSA-N 439.218 4.086 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(F)c(N2CCOC2=O)c1 794106485 VXEABHVHZKHCTN-UHFFFAOYSA-N 425.825 4.075 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)c1cc2sc(N3CCCC3)nc2s1 796859797 BBFDVGVFHHZFGU-OAHLLOKOSA-N 444.538 4.302 5 20 IIBD CON(CC1CCOCC1)[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 801603563 BFXXIMBAAMGJLC-FQEVSTJZSA-N 433.892 4.218 5 20 IIBD Cc1ccc(-c2nn(CNNc3cc([N+](=O)[O-])ccc3Br)c(=S)n2C)cc1 802740146 AQGZFXRHAXJIDO-UHFFFAOYSA-N 449.334 4.171 5 20 IIBD Cc1csc(Nc2ccc(C(=O)OCC(=O)Nc3c(C)cccc3[N+](=O)[O-])cc2)n1 811320197 JWJQSGSVQSSDCO-UHFFFAOYSA-N 426.454 4.207 5 20 IIBD C[C@H]1CCCN(c2cc(C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)ccn2)C1 812650950 DMYOVZXWLQSGOM-KBPBESRZSA-N 446.891 4.064 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1OC 813291961 HAVSRBBCMVTAQE-LJQANCHMSA-N 429.473 4.370 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])cc2F)C[C@H](C)O1 813835393 QFAJRAUEBFNKKW-GJZGRUSLSA-N 430.480 4.404 5 20 IIBD CC(C)(C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)c1csc(-c2ccccc2F)n1 814594173 YBUBSQYVKBQLRA-UHFFFAOYSA-N 443.456 4.317 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1CCC2(CC1)OCCCO2 815154860 VFSMLOIKAQILMA-FQEVSTJZSA-N 445.903 4.157 5 20 IIBD Cc1c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)ccn1C(C)C 815317590 LNJKHOFIRCTDOE-GFCCVEGCSA-N 427.379 4.488 5 20 IIBD Cc1c(C(=O)NCC2(c3cccc(Br)c3)CCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 918392327 NFYLBOQRBHCWDI-UHFFFAOYSA-N 448.273 4.426 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)CCC(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 918635039 ABWPNAYIDMDNLJ-QGZVFWFLSA-N 444.509 4.247 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)OCC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)c1 919112005 FKKHMKDXMUPQQT-INIZCTEOSA-N 440.452 4.181 5 20 IIBD Cc1c(COC(=O)C[C@H](NC(=O)c2ccc(O)cc2)c2ccccc2)cccc1[N+](=O)[O-] 919134585 DUIZDMJNEPXKRR-NRFANRHFSA-N 434.448 4.213 5 20 IIBD C[C@H](OC(=O)CCOc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 919492612 DMGJHCXOCRZQBB-IRXDYDNUSA-N 440.496 4.052 5 20 IIBD O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCC1(c2cccc(Cl)c2)CCOCC1 919722722 LDLAIKURGVJILE-UHFFFAOYSA-N 429.904 4.301 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2C(C)(C)C)cc1[N+](=O)[O-] 920034447 RPJQLTASATZCOL-HOTGVXAUSA-N 431.562 4.457 5 20 IIBD COc1ccc([C@H](NC(=O)c2cc(C)cc([N+](=O)[O-])c2)c2ccc(OC)cc2OC)cc1 1318468469 NTSYOFAULAYNDM-QHCPKHFHSA-N 436.464 4.448 5 20 IIBD Cc1c(-c2nnc(CCSc3ccc(F)cc3)o2)nnn1-c1cccc([N+](=O)[O-])c1 1322932220 NIFUHPMINOMKBT-UHFFFAOYSA-N 426.433 4.008 5 20 IIBD CN(C)C(=O)OCCOc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 1325775890 ITFSDMAWKDOTRH-UHFFFAOYSA-N 442.255 4.231 5 20 IIBD Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CCC2)c(C)n1 1785749495 AXARLPOREOOUKS-UHFFFAOYSA-N 434.452 4.261 5 20 IIBD O=C(Cc1cc(F)ccc1[N+](=O)[O-])NC1(c2ccc(NC(=O)c3ccncc3)cc2)CCC1 1787311939 WCCCJOSWRNZEKZ-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD CCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)CCC2)cc1 1791262813 CWVMKBOQYUCKFY-UHFFFAOYSA-N 425.485 4.484 5 20 IIBD CC[C@H](C)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCc1cc(C)c(F)cc1[N+](=O)[O-])C2 1793362618 DZLBKULCTQPISI-QLIIJSOBSA-N 447.551 4.439 5 20 IIBD Cc1scc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2c(F)ccc([N+](=O)[O-])c2C)c1C 1800699159 JVYGIZJBCGHIAE-MUJYYYPQSA-N 445.516 4.286 5 20 IIBD Cc1ccc(F)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2c(F)ccc([N+](=O)[O-])c2C)c1 1800699839 FSAYWRGQIDZNSB-MUJYYYPQSA-N 443.450 4.055 5 20 IIBD CCC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)CC2)CCC1 1828471131 OCJVYLQFBRFDMQ-JCOOBLOPSA-N 443.544 4.401 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)ccc2F)CC1 1829881324 YAZXDQRHEVDZGM-SFHVURJKSA-N 447.438 4.013 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(F)CCC2)CC1 1832504308 NGTSVHMLQAYDED-LJQANCHMSA-N 449.498 4.168 5 20 IIBD Cc1cc(Cl)cc(C(=O)N2CC3(CCCN3C(=O)c3c(F)ccc([N+](=O)[O-])c3C)C2)c1 1845494134 PCYYGQLFMQKYLY-UHFFFAOYSA-N 445.878 4.135 5 20 IIBD C[C@@H]1CCC[C@H]1C(=O)N1CC2(CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 1845739053 HHYIKMITVQNGNB-RHSMWYFYSA-N 427.526 4.063 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1cc(Cl)c(Cl)cc1Cl 10051219 IMGSYWFKSUECCM-UHFFFAOYSA-N 446.674 4.417 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)COc1ccc(Oc2ccccc2)cc1 12843818 MPKXJIHDWXNADA-UHFFFAOYSA-N 436.420 4.256 5 20 IIBD COc1cc2c(cc1OC)CN(C(=O)c1ccc(N3CCC(C)CC3)c([N+](=O)[O-])c1)CC2 14790240 VYWSLDCSMSZFQZ-UHFFFAOYSA-N 439.512 4.047 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(N[C@H](c2nc3ccccc3[nH]2)C(C)C)c([N+](=O)[O-])c1 15576000 IBXYDEOHYDWLHS-FQEVSTJZSA-N 445.545 4.311 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1cccc(Br)c1 15650751 KOFLBTVEECNMCB-SECBINFHSA-N 427.638 4.195 5 20 IIBD CC1CCN(c2ccc(C(=O)O[C@@H](C)C(=O)Nc3cccnc3Cl)cc2[N+](=O)[O-])CC1 15816546 NJOCNPHHCBYDGA-AWEZNQCLSA-N 446.891 4.064 5 20 IIBD C[C@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1nnc(-c2cccs2)o1 17727234 MQIZLUBXSSXMKI-ZDUSSCGKSA-N 428.470 4.227 5 20 IIBD Cc1cc(Cl)ccc1OCC(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 20751759 UAMBCTIOOMNLMI-NSHDSACASA-N 427.240 4.159 5 20 IIBD Cc1cccc(C(C)C)c1NC(=O)COC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 24715010 AALQGPKCWGFKIY-UHFFFAOYSA-N 439.512 4.425 5 20 IIBD O=C(Nc1ccc(OC(=O)[C@H]2Cc3ccccc3O2)cc1)c1cc([N+](=O)[O-])ccc1Cl 29479882 WXRKBUAGXHCULE-HXUWFJFHSA-N 438.823 4.410 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1c2c(nn1-c1ccccc1)CCC2 36663150 XVXDXKQRJNWCOQ-UHFFFAOYSA-N 434.499 4.468 5 20 IIBD O=C(Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1)c1ccc([N+](=O)[O-])c(O)c1 63341482 RAGGKWXPJPITGS-UHFFFAOYSA-N 437.839 4.295 5 20 IIBD CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 64851108 RYDQMPKSKSGTPW-UHFFFAOYSA-N 434.374 4.166 5 20 IIBD Cc1ccnc(-n2c(SCCOc3ccccc3[N+](=O)[O-])nc3ccccc3c2=O)c1 71960709 SMADKVOQBCBYOA-UHFFFAOYSA-N 434.477 4.168 5 20 IIBD O=C(N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 97288008 MHAKAYIYPZFQCT-HSZRJFAPSA-N 438.447 4.176 5 20 IIBD COC(=O)c1c(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)sc2c1CCCC2 105668304 XCYHVHDLQBQTBP-UHFFFAOYSA-N 443.525 4.177 5 20 IIBD COc1cc(C(=O)N2CCC[C@@H](N(C)C)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 111134472 PVWPSCRZNVVBST-MRXNPFEDSA-N 433.892 4.215 5 20 IIBD Cc1ccc(-c2noc([C@H](C)N3CCN(c4ccc5cc([N+](=O)[O-])ccc5n4)CC3)n2)cc1 301118442 RNKYGGLSKCGCTI-KRWDZBQOSA-N 444.495 4.385 5 20 IIBD Cc1nc(N[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] 301651933 KAYLFVFNHYSDHF-HXUWFJFHSA-N 433.436 4.181 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CCCCC[C@H]1c1ccco1 303941815 YVAUCPZCKLAAEE-ZDUSSCGKSA-N 429.292 4.256 5 20 IIBD COc1cc(OCC(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)ccc1[N+](=O)[O-] 427445167 YOXQFAOIPJQABX-UHFFFAOYSA-N 427.457 4.140 5 20 IIBD COCCN(Cc1cc(Br)cs1)C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F 427733013 CWRUZWOXAQBSDQ-LLVKDONJSA-N 445.310 4.337 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(CO)c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 428077827 FWUSZTHBYAFMFQ-UHFFFAOYSA-N 438.280 4.142 5 20 IIBD O=C(Nc1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cn1)c1ccccc1 430606674 XMZBLSWKUARNAT-UHFFFAOYSA-N 441.241 4.257 5 20 IIBD CC(C)c1nc(-c2ccccc2NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)n[nH]1 432486241 SVHUHFMXJQJYHI-UHFFFAOYSA-N 432.440 4.069 5 20 IIBD O=C1[C@H](Nc2ccc(C(=O)N3CCc4ccccc43)cc2)CCN1c1cccc([N+](=O)[O-])c1 433697254 MNOLGBQKCXJCLX-JOCHJYFZSA-N 442.475 4.015 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCN(C(=O)c2cc3ccccc3s2)CC1 433852427 MHKRGNFYEFUHEX-UHFFFAOYSA-N 438.509 4.416 5 20 IIBD CN(C)C(=O)Nc1ccc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(Cl)c1 435356826 SKBZYUBHVGHTGC-UHFFFAOYSA-N 446.891 4.025 5 20 IIBD COc1cccc(C(=O)Nc2ccc(Br)cc2Br)c1[N+](=O)[O-] 435655920 OQZKUMLIFWUAEX-UHFFFAOYSA-N 430.052 4.381 5 20 IIBD O=C(Nc1ccc(COc2ccccc2)cc1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 437040478 IZTQSXJRLFPTQS-UHFFFAOYSA-N 445.475 4.304 5 20 IIBD O=C(c1cc(F)c(F)cc1Br)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 441439642 UIKZFZRWGXUYFT-UHFFFAOYSA-N 441.228 4.319 5 20 IIBD COc1ccccc1-c1ccc([C@H](C)NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 442158015 WLGKEZYHQAXVGM-INIZCTEOSA-N 433.464 4.395 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444330593 YCTXAOFYSFVEOV-UHFFFAOYSA-N 443.793 4.451 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)c1nc2ccccc2n1C(F)F 444657818 AASUSDHMJVAARU-RYUDHWBXSA-N 433.415 4.026 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC[C@H](c4nccn4C)C3)cc2[N+](=O)[O-])n1 444668919 COJPRZHQEOMTOK-HNNXBMFYSA-N 443.554 4.264 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CC3(CCC3)c3c(F)cccc32)c(Br)c1 447008533 VZNYUYPRJHYKGS-UHFFFAOYSA-N 441.278 4.127 5 20 IIBD CS(=O)(=O)c1c(Cl)cccc1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 460286311 VGTWQGKHKLRAJR-UHFFFAOYSA-N 437.886 4.028 5 20 IIBD CC1(C)CN(C(=O)c2ccc(C(=O)N3CC(C)(C)[C@H]3C3CC3)cc2[N+](=O)[O-])[C@H]1C1CC1 460981686 PTGKMJUGQIQRBL-UXHICEINSA-N 425.529 4.116 5 20 IIBD COc1ccc(-c2ccc(CNC(=O)c3cc(O)nc4ccc([N+](=O)[O-])cc34)cc2)cc1 461265484 NZGLGEYFOFOPJO-UHFFFAOYSA-N 429.432 4.454 5 20 IIBD Cc1cc(NC2CCC(C(=O)N3CCSCC3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] 461770814 XOBIXFRHNHTWDM-UHFFFAOYSA-N 431.480 4.468 5 20 IIBD CO[C@@](C)(CNC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1)C1CC1 462581730 QCHIOINTRVJLKW-QFIPXVFZSA-N 428.510 4.093 5 20 IIBD CNc1c(C(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cccc1[N+](=O)[O-] 462987838 ITJFCOKICOTWTO-CQSZACIVSA-N 441.875 4.360 5 20 IIBD CCc1ccc(-c2ccc(C(=O)N3CCN(C(=O)c4ccc([N+](=O)[O-])s4)CC3)o2)cc1 463388884 DAQWQLQTDHQDGT-UHFFFAOYSA-N 439.493 4.077 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](C)[C@@H](C)c1ccccc1C(F)(F)F 464039270 HOTHHTPGSAKHQA-TZMCWYRMSA-N 437.418 4.477 5 20 IIBD C[C@H](C(=O)Nc1cccc(Br)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464773397 HAUNETLNGWPQDK-CQSZACIVSA-N 448.317 4.228 5 20 IIBD COc1cc(S(=O)(=O)Nc2cccc(COc3ccccc3)c2C)ccc1[N+](=O)[O-] 468900318 JKZYBQKWIBFNMV-UHFFFAOYSA-N 428.466 4.292 5 20 IIBD CCO[C@@H](CCNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)C1CCCC1 473453494 XUTIALLIJMJVEU-NRFANRHFSA-N 428.533 4.172 5 20 IIBD CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)cc2c1C 473761075 YWZWUANHWDSLES-UHFFFAOYSA-N 432.454 4.244 5 20 IIBD Cc1cc(Cl)ccc1Oc1ccc(CS(=O)(=O)Cc2c([N+](=O)[O-])ncn2C)cc1 476889551 VLCCVKHCUUWQKS-UHFFFAOYSA-N 435.889 4.197 5 20 IIBD CCOc1cc(N2CCN(C(=O)[C@H]3CCCC[C@H]3C(F)(F)F)CC2)ccc1[N+](=O)[O-] 477348992 HFZPOXBOJVEVHY-JKSUJKDBSA-N 429.439 4.011 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1ccc(Br)cc1Br 478734905 HACKTGWGGHJUBR-UHFFFAOYSA-N 432.043 4.440 5 20 IIBD CCn1c(S[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)nnc1-c1ccc([N+](=O)[O-])cc1 481348432 PXMIDHFXSUTKML-QGZVFWFLSA-N 443.916 4.424 5 20 IIBD Cc1nc2ccccc2n1C1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 482874088 HDYZHHGSCMMIDK-UHFFFAOYSA-N 427.892 4.182 5 20 IIBD O=C(NCc1cc(Cl)c2c(c1)OCCCO2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 482994515 YKYRGMMXJDVDRD-UHFFFAOYSA-N 431.876 4.284 5 20 IIBD COC(=O)[C@@H](C)N(C(=O)c1cc(C)cc([N+](=O)[O-])c1)c1ccc(Br)cc1C 484807686 BIMIAPRYPVNYPB-CYBMUJFWSA-N 435.274 4.182 5 20 IIBD Cc1cnn(Cc2ccccc2F)c1NC(=O)c1sc(Br)cc1[N+](=O)[O-] 485773189 VMVDNUZKXHUOAI-UHFFFAOYSA-N 439.266 4.363 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H](C)c2cccc(OC)c2)CC1 488912953 BWDZIXRLCVMKGG-INIZCTEOSA-N 429.542 4.234 5 20 IIBD O=[N+]([O-])c1ccn(C2CCN([C@@H](c3ccccc3)c3nc(-c4ccccc4)no3)CC2)n1 489044971 RRSZRZVBOMCBFC-NRFANRHFSA-N 430.468 4.268 5 20 IIBD CSC[C@H]1CCCN1C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 489352981 GXAXEYASSMSASY-OAQYLSRUSA-N 436.537 4.344 5 20 IIBD O=C(C[C@@H]1CCCCCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccccc1 495406260 BHEPVEWNCDYHNM-IBGZPJMESA-N 432.480 4.438 5 20 IIBD O=C(NC1CCCCC1)C1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 495528479 HYXBDUPKRXPJED-UHFFFAOYSA-N 442.541 4.019 5 20 IIBD CCN(C(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)[C@@H](c1ccc(C)cc1)c1cccnc1 496551473 KVQSABLIKZZMGS-MBSDFSHPSA-N 446.507 4.055 5 20 IIBD Cc1sc(Br)cc1S(=O)(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 497934617 ATTOQAFWZXPNRQ-CQSZACIVSA-N 449.373 4.164 5 20 IIBD Cc1c(C(=O)Nc2ccccc2COCc2ccccc2)nnn1-c1cccc([N+](=O)[O-])c1 499999133 JQNJASKGQSAZFE-UHFFFAOYSA-N 443.463 4.453 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 500095043 XKEUKFYWQGUGQJ-UHFFFAOYSA-N 444.557 4.002 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 500970556 YPLPFVIKRWKNNX-QGZVFWFLSA-N 429.860 4.399 5 20 IIBD CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCOc2ccc(Br)cc21 501938637 NLVLEBIRKXFZKK-INIZCTEOSA-N 434.290 4.142 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)cc1[N+](=O)[O-] 502067031 PYTFPIFHQNRRSH-SFHVURJKSA-N 432.498 4.033 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 502602464 VHJCOWWENIXNMY-LBPRGKRZSA-N 438.311 4.114 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O 502799551 MVLDMATUBMHNRI-UHFFFAOYSA-N 446.385 4.337 5 20 IIBD CCC(C)(C)c1ccc(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 503676475 JLVXNGAIZKVNPQ-UHFFFAOYSA-N 435.427 4.139 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N(Cc1c(Cl)cccc1Cl)C1CC1 503894201 RQVBSRSLTSOAKQ-UHFFFAOYSA-N 436.251 4.001 5 20 IIBD CN1CCC[C@@]2(CCN(C(=O)c3ccc(NCc4ccccc4Cl)c([N+](=O)[O-])c3)C2)C1 505513052 FDHWQUIKRANJRV-HSZRJFAPSA-N 442.947 4.418 5 20 IIBD CCOc1cc(Br)c(NC(=O)COc2ccccc2[N+](=O)[O-])cc1OCC 508011284 CBTROEJNIHMWJR-UHFFFAOYSA-N 439.262 4.172 5 20 IIBD CCN(C(=O)c1cc([N+](=O)[O-])cc(I)c1C)c1ccccc1OC 509075074 QCMIIWBQAKHTBH-UHFFFAOYSA-N 440.237 4.183 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CNc3ccc(Cl)c(F)c3N3CCOCC3)co2)cc1 509509653 UWWBOEQPFTVJDR-UHFFFAOYSA-N 432.839 4.491 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@@H](C)[C@@H]3CCCN(C4CCC4)C3)cc2[N+](=O)[O-])CC1 511271817 FUBYPCNJRFTLSQ-AZUAARDMSA-N 428.577 4.214 5 20 IIBD COc1ccc(Br)cc1C(=O)CCC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 513347883 GCCRCAVDNOXYEX-UHFFFAOYSA-N 449.301 4.030 5 20 IIBD CCOc1cc(NC(=O)N(C)Cc2ccc(Br)o2)c([N+](=O)[O-])cc1OCC 514823512 NFXJXENSENPRTQ-UHFFFAOYSA-N 442.266 4.412 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1 517724785 IKOWEAKBOVQALS-UHFFFAOYSA-N 442.428 4.087 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)cc1C 518198466 PDMFVTCDOSMIDN-UHFFFAOYSA-N 426.498 4.212 5 20 IIBD C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)COc1ccc([N+](=O)[O-])cc1Br 523110023 KRSAHKMCMGENTG-SNVBAGLBSA-N 429.217 4.234 5 20 IIBD CCOc1cc(NC(=O)N2CC[C@@H](c3ccccc3OC)C2)c([N+](=O)[O-])cc1OCC 523443393 PBHLOAIRBWBKOT-OAHLLOKOSA-N 429.473 4.422 5 20 IIBD CCN(CC)C(=O)c1cccc(NC(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])c1 523552933 DFJCWGHZHRYTJZ-UHFFFAOYSA-N 427.505 4.009 5 20 IIBD O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 524058455 MKSNMNCBTHXMNN-LBPRGKRZSA-N 438.709 4.267 5 20 IIBD CC1CCC(NS(=O)(=O)c2ccc(N[C@H](C)c3cnn(C(C)C)c3)c([N+](=O)[O-])c2)CC1 524303796 IOQILVRQWCMRHQ-UPTPFMHGSA-N 449.577 4.402 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1cccc(CSC2CCCC2)c1 524866827 USYHMMZVNDYHGK-UHFFFAOYSA-N 427.482 4.317 5 20 IIBD COc1cc(C(=O)NC2(c3ccc(Br)cc3)CCC2)cc([N+](=O)[O-])c1OC 524985498 QLNNDAKENYFBJF-UHFFFAOYSA-N 435.274 4.184 5 20 IIBD Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 525561702 UEAVDSCCKAHGIW-UHFFFAOYSA-N 443.525 4.033 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 534040482 RBZCILGDQNAWSX-UHFFFAOYSA-N 436.443 4.028 5 20 IIBD CN1CCC(N(C)[C@@H]2CCCC[C@@H]2N(C)C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 534361471 ZONWTAIXLJGMPT-YADHBBJMSA-N 444.620 4.302 5 20 IIBD C[C@H]1CC(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 535053503 IMLMATIJFZTVHA-IRXDYDNUSA-N 434.496 4.062 5 20 IIBD COC(=O)c1sc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)nc1C1CC1 535494819 IIZKYYUHTUPPNO-UHFFFAOYSA-N 444.513 4.204 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)c1 537299935 OESOXLAUUZDTBB-UHFFFAOYSA-N 440.475 4.293 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 537775765 QDPKOKGILSCDAR-UHFFFAOYSA-N 427.464 4.389 5 20 IIBD C[C@@H](NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc(OCc2cccnc2)cc1 538125071 LMPWOCPQGLURQZ-QGZVFWFLSA-N 448.479 4.218 5 20 IIBD O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 539476783 OXVBPACPMHOTIQ-HNNXBMFYSA-N 440.862 4.458 5 20 IIBD Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)ccc1Oc1cccnc1 539549027 PSYRDRXNATXHQX-UHFFFAOYSA-N 434.452 4.179 5 20 IIBD O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1[N+](=O)[O-] 540444392 GCOWVPKRDITNNL-GDBMZVCRSA-N 425.666 4.271 5 20 IIBD Cc1sc(=O)n(CC(=O)N(CC(C)C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)c1C 540450408 POGQWDNFVIYEBL-UHFFFAOYSA-N 446.554 4.248 5 20 IIBD CN(CCc1ccc(Cl)cc1)C(=O)c1cc(I)cc([N+](=O)[O-])c1 541847831 HUABZVARVFPFMF-UHFFFAOYSA-N 444.656 4.168 5 20 IIBD COc1cccc([C@@H]2C[C@H](C)CN2c2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)c1 542208578 ZUGFTZYEIYUYDM-LIRRHRJNSA-N 440.887 4.390 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c1Br 542507280 MBEXCXNGEOKTIR-CQSZACIVSA-N 444.232 4.240 5 20 IIBD CCOc1ccc(-c2nnc(Sc3ncc([N+](=O)[O-])cn3)n2-c2ccccc2F)cc1 544857895 YDQFWTXQZVZHOI-UHFFFAOYSA-N 438.444 4.322 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(-c3nc(Cc4nc(O)c5c(C6CC6)csc5n4)no3)c2c1 545568838 MDYYHKDCHDCINO-UHFFFAOYSA-N 434.437 4.305 5 20 IIBD Cc1c(Cc2noc(Cc3csc(-c4ccc5c(c4)OCO5)n3)n2)cccc1[N+](=O)[O-] 545779664 LQPIPSRFFXPWCC-UHFFFAOYSA-N 436.449 4.320 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 549189917 HOUJENSNTDOXIC-UHFFFAOYSA-N 426.517 4.166 5 20 IIBD CN(Cc1cccc(F)c1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCO1 549657906 XLWZDAFIAPDIPG-FQEVSTJZSA-N 425.464 4.198 5 20 IIBD COc1cc(CN[C@@H](C)c2ccc(-n3cccn3)c(F)c2)c([N+](=O)[O-])cc1OC(F)F 549904970 MSBAIJVKKLWCDB-LBPRGKRZSA-N 436.390 4.380 5 20 IIBD C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1 551230633 ALUBGNVLIBLFKP-RBNQUJQMSA-N 434.496 4.013 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 552336122 PQWMSCUKJRHBJT-HSZRJFAPSA-N 443.931 4.142 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCSC[C@@H]1c1nccs1 556450816 DMJSXTTWGIMQGW-CYBMUJFWSA-N 428.333 4.053 5 20 IIBD O=C(N[C@@H](CCO)c1ccc(Cl)c(Cl)c1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 557597110 YUUNXSGKRGKQBL-INIZCTEOSA-N 436.251 4.009 5 20 IIBD CC[C@@H]1CCCC[C@@H]1c1noc([C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 560048343 HBQNEYQTVMYVPA-FHLIZLRMSA-N 434.518 4.187 5 20 IIBD CC(C)(CO)[C@@H](NCc1cc(I)cc([N+](=O)[O-])c1)c1ccccc1 562066757 LTTCEJTVQWTGAJ-KRWDZBQOSA-N 440.281 4.049 5 20 IIBD COC(=O)[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccc(Cl)cc1Cl 569030184 FGWCHINCFDPBMH-GOSISDBHSA-N 440.283 4.043 5 20 IIBD O=C(NC[C@@H](NCc1ccccc1)c1ccco1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 581841543 OEBQXVNBEMVUPS-OAQYLSRUSA-N 448.523 4.052 5 20 IIBD COC(=O)c1cc2cc(NC(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)ccc2o1 603771265 URXWGJGKHAKBFO-UHFFFAOYSA-N 448.435 4.242 5 20 IIBD O=C(NCc1ccccc1)c1ccccc1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 604004149 MPGWRDHOFBJWKU-UHFFFAOYSA-N 429.436 4.187 5 20 IIBD Cn1ccc(N2CCC[C@@H](Sc3nc4ccccc4c4nc5ccccc5n34)C2=O)n1 607756345 CIWILVOZVFGHTP-LJQANCHMSA-N 428.521 4.057 5 20 IIBD COc1ccc(NC(=O)C[C@@H](NC(=O)c2ccc(C)cc2)c2ccccc2)c([N+](=O)[O-])c1 609227674 HHHYDPWLVWTLMK-OAQYLSRUSA-N 433.464 4.412 5 20 IIBD CN(C(=O)c1cccc(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 609469401 SWBSNULAYCBJTF-UHFFFAOYSA-N 434.452 4.072 5 20 IIBD C[C@H](Nc1ncnc2ccc([N+](=O)[O-])cc12)c1cc2c(cc1Br)OCCO2 611710846 ZJXSKNSCCAOXJC-JTQLQIEISA-N 431.246 4.245 5 20 IIBD O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccc(CC[C@H](O)c2ccccc2)cc1 727361305 UHCCAARPOZQVQW-FQEVSTJZSA-N 430.457 4.201 5 20 IIBD CCCOc1ccccc1NC(=O)c1ccc(I)c([N+](=O)[O-])c1 727747517 YCUCSAULUIETRY-UHFFFAOYSA-N 426.210 4.241 5 20 IIBD Cc1cccc(-c2nnc(COC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])o2)c1 728169196 FKQOCGABCLXBDU-UHFFFAOYSA-N 437.330 4.251 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@H](C(=O)N(C)c2ccccc2)C(C)C)cc1SC 728648999 DNBASCZJWVRGDB-IBGZPJMESA-N 432.498 4.170 5 20 IIBD Cc1cc(C)n(Cc2cccc(-c3noc(-c4ccc(-n5ccnc5)c([N+](=O)[O-])c4)n3)c2)n1 731805138 WRHDRPNUVNEFAB-UHFFFAOYSA-N 441.451 4.359 5 20 IIBD CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 731902656 VIESYYRKANUDBU-ZDUSSCGKSA-N 444.326 4.027 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(c2c[nH]c3ncccc23)CC1 735871716 UHNKMDQMNAOPJT-CYBMUJFWSA-N 427.892 4.331 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N2CCC[C@@H]3CCC[C@H]32)cc1 741984782 KZMNBIAJJTWXTK-OXJNMPFZSA-N 444.509 4.076 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)c1 745391694 PPADHKZRGFAGTD-QHCPKHFHSA-N 436.439 4.447 5 20 IIBD O=C(NC[C@H](O)c1ccc(OC(F)(F)F)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 747221440 AXPSVKAWHANVHM-AWEZNQCLSA-N 426.372 4.172 5 20 IIBD CCCc1c(C(=O)O[C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cnn1C1CCCC1 751850001 WEQRLGJVXWYTTJ-CQSZACIVSA-N 444.488 4.052 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nc(-c2ccc(Cl)cc2)n1 751859084 KWFPDVTVWQYWAC-UHFFFAOYSA-N 440.843 4.118 5 20 IIBD CC(C)(NS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1)c1ccc([N+](=O)[O-])cc1 751991650 XMQAIYOQHXISFH-UHFFFAOYSA-N 438.452 4.338 5 20 IIBD C[C@@H](C(=O)N1[C@H]2CCC[C@H]1CC(NC(=O)OC(C)(C)C)C2)c1ccc([N+](=O)[O-])cc1F 754370213 SBYXRLPSLUBESS-KBMXLJTQSA-N 435.496 4.274 5 20 IIBD O=C(CCCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)Nc1ccc(Cl)cc1 756964567 YTYBFURHVJJQNU-UHFFFAOYSA-N 425.272 4.120 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCCc3cc(SC(F)F)ccc32)cc1 757677005 WCJFJGQEIDXILO-GOSISDBHSA-N 442.509 4.350 5 20 IIBD O=C(NCc1ccnc(Oc2ccccc2)c1)c1cccc([N+](=O)[O-])c1Br 758062489 JUNXTBOEQORQLO-UHFFFAOYSA-N 428.242 4.475 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2cncc(-c3ccc(Cl)cc3)c2)c([N+](=O)[O-])c1 758109268 GKGRRDVLBCJWJK-UHFFFAOYSA-N 441.827 4.114 5 20 IIBD Cc1cc(F)cc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3)c2)c1[N+](=O)[O-] 758416494 RMXLBBSNWGZAFL-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@@H](C)CC(=O)c1ccc(Cl)cc1 759851178 JRDOPOFVMGEBSM-STQMWFEESA-N 448.859 4.036 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2CC(F)(F)F)ccc1Br 760363791 ZICYNSABWMLBMQ-UHFFFAOYSA-N 439.209 4.263 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CCO1 761335576 AACPQICAIJVTPE-IIBYNOLFSA-N 435.524 4.142 5 20 IIBD O=C(OCCOc1ccc([N+](=O)[O-])cc1)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O 762933846 SXORIFFXVJIIBM-UHFFFAOYSA-N 446.818 4.273 5 20 IIBD C[C@H](C(=O)OCC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)c1cccc([N+](=O)[O-])c1 763402069 MLLQJETXJSPCKZ-LBPRGKRZSA-N 425.268 4.207 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cccc(CS(=O)(=O)Cc3ccccc3)c2)c1F 764538671 HOYWQVUWWQZLLT-UHFFFAOYSA-N 442.468 4.410 5 20 IIBD Cc1ccc(S(=O)(=O)NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)s1 764562840 UXLVNRHFKNALAX-UHFFFAOYSA-N 426.541 4.118 5 20 IIBD C[C@@H](OC(=O)CCc1cncc2ccccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 765576521 FTOVFFCSNLTKAL-CYBMUJFWSA-N 427.844 4.299 5 20 IIBD C[C@H](OC(=O)c1cc(I)cc([N+](=O)[O-])c1)c1ncc(C(C)(C)C)o1 766151347 LMKLCCWLVJZCGD-VIFPVBQESA-N 444.225 4.403 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(-c3nc(CNC(=O)OC(C)(C)C)no3)cc2[N+](=O)[O-])C1 766932430 KZLLWFCPSICHBW-OKILXGFUSA-N 431.493 4.152 5 20 IIBD NC(=O)[C@@H](OC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(F)cc1 768092745 DHZFDTVLYNJRGP-IBGZPJMESA-N 426.425 4.269 5 20 IIBD CN(CCCCCc1cc(-c2ccccc2)no1)S(=O)(=O)c1csc([N+](=O)[O-])c1 768839698 VXNZLJDVKNMKKX-UHFFFAOYSA-N 435.527 4.345 5 20 IIBD O=C(Nc1ccc(Nc2ncccn2)cc1)c1cc(F)cc([N+](=O)[O-])c1Br 769694310 QGUOTBOGQVBVST-UHFFFAOYSA-N 432.209 4.282 5 20 IIBD Cc1cc(S(=O)(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)cc([N+](=O)[O-])c1F 771744744 MPVLLCVJIVQDEP-HNNXBMFYSA-N 445.472 4.056 5 20 IIBD Cc1cc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 771848102 HCZKBVMMFZACPU-HXUWFJFHSA-N 436.541 4.356 5 20 IIBD CC(C)([C@H](OC(=O)c1ccc2c(c1)CCC(=O)N2)c1ccc(Br)cc1)[N+](=O)[O-] 774366607 CBWCIVRBTFDIQM-GOSISDBHSA-N 447.285 4.287 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)c([N+](=O)[O-])c1 774836403 MMGZMNGEZKOIRY-UHFFFAOYSA-N 438.406 4.230 5 20 IIBD Cc1ccc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc1NC(=O)CN1CCCCC1 777970334 YEARWDWMMQGYHW-UHFFFAOYSA-N 446.454 4.058 5 20 IIBD COc1cc([C@H](C)NCCc2ccc(Cl)cc2[N+](=O)[O-])ccc1S(=O)(=O)C(F)F 779174996 FLLLUCBTXXCDCG-NSHDSACASA-N 448.875 4.146 5 20 IIBD O=C(Nc1ccc(OS(=O)(=O)Cc2ccc(F)cc2F)cc1)c1cccc([N+](=O)[O-])c1 779874132 MAJBQSZKSLHGQU-UHFFFAOYSA-N 448.403 4.034 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCC(Oc2ccccc2Cl)CC1 781711321 ZFYYCZHTENAEPF-UHFFFAOYSA-N 433.848 4.159 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CCN(c2ccc(F)cc2Cl)CC1 782173117 CGICCNMUCPSEKU-UHFFFAOYSA-N 442.672 4.112 5 20 IIBD COC(=O)Nc1ccc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1F 783080394 FPFCAZMYBXWYNE-UHFFFAOYSA-N 441.419 4.026 5 20 IIBD O=C(NCCNc1ncnc2sccc12)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 787060378 VESAFTVPAROGQD-UHFFFAOYSA-N 449.492 4.020 5 20 IIBD O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC(COc2ccc(Cl)nc2)CC1 788789216 CYVWLHSGCBEPBB-UHFFFAOYSA-N 430.892 4.149 5 20 IIBD COc1ccnc(COC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c1OC 788999352 MCLUZMBYXWINLG-UHFFFAOYSA-N 447.494 4.280 5 20 IIBD Cc1ccc([C@H](NC(=O)COC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C2CC2)cc1 790746359 RCITUZKRRBMAOH-NRFANRHFSA-N 434.851 4.049 5 20 IIBD CCc1c(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cnn1C1CCCC1 791244615 BJNUXGOREHOHJB-UHFFFAOYSA-N 447.333 4.430 5 20 IIBD CCc1[nH]nc(C(=O)OCc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)c1[N+](=O)[O-] 795614776 BTKFHQRWGSSCEX-UHFFFAOYSA-N 449.876 4.032 5 20 IIBD O=C(NC[C@H](O)c1cccc(C(F)(F)F)c1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 798299749 MUJLCOJKEYJGNA-KRWDZBQOSA-N 431.370 4.139 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)[C@H](C)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 798787448 RUXWRBCMQYKCTD-NEPJUHHUSA-N 440.374 4.296 5 20 IIBD CS(=O)(=O)C1(COC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CC1 799708271 CSLDHXXLUTURGF-UHFFFAOYSA-N 441.914 4.133 5 20 IIBD CN(C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@H]1CC[C@@H](C(F)(F)F)CC1 808962978 SRFQYQJZZLJYJA-XBXGTLAGSA-N 429.439 4.410 5 20 IIBD Cc1nnc(COCc2nc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)no2)s1 809363088 KMGRVNNMOSVOKR-UHFFFAOYSA-N 425.426 4.314 5 20 IIBD CC[C@@H](NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(Cl)s1 810363400 QAFDGNNBNAULET-SNVBAGLBSA-N 446.710 4.278 5 20 IIBD CC(C)[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c2ccccc21 810407789 YDTQAHALPDBAJI-AWEZNQCLSA-N 432.274 4.082 5 20 IIBD O=C(CCc1nc(O)c2ccccc2n1)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811220252 YOLAKJYHIDFMSK-UHFFFAOYSA-N 436.449 4.043 5 20 IIBD O=c1oc2cc(Br)ccc2n1Cc1ccc(Br)c([N+](=O)[O-])c1 814264746 GGIVSFJADVIJCH-UHFFFAOYSA-N 428.036 4.076 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C(=O)Nc1ccccc1OC(F)F 815511138 WZZDADZGLMEWRK-VIFPVBQESA-N 448.300 4.399 5 20 IIBD O=C(NCCCNc1ncnc2ccc([N+](=O)[O-])cc12)[C@H](OC1CCCC1)c1ccccc1 816448771 KRKMDIFLQPGUQW-JOCHJYFZSA-N 449.511 4.157 5 20 IIBD CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 816912911 QEIQLKPLINMEFA-AWEZNQCLSA-N 434.899 4.020 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](Cc1ccccc1)N(C)C(=O)OC(C)(C)C 820513907 BKPFZZVGJMHJEB-SFHVURJKSA-N 427.501 4.111 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N(Cc1ccc2ccccc2c1)C1CC1 914485913 YXAUUTBJWLFNBN-UHFFFAOYSA-N 431.492 4.389 5 20 IIBD O=C(COC(=O)/C=C/c1ccccc1OC(F)(F)F)Nc1ccc(Cl)cc1[N+](=O)[O-] 914939957 BSFPQDSQBBARTF-VMPITWQZSA-N 444.749 4.342 5 20 IIBD O=C1N[C@@]2(CCCCc3ccccc32)C(=O)N1Cc1c(Br)cccc1[N+](=O)[O-] 915659176 QZLJXHBKMXQMQS-HXUWFJFHSA-N 444.285 4.031 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]1c1cccc(Br)c1 917785911 HIPKMZPEUWIILT-QGZVFWFLSA-N 429.274 4.071 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)OCC(=O)N[C@H](c2ccccc2)C2CCCC2)cc1[N+](=O)[O-] 919228184 INWDPJVDGBCDOP-OAQYLSRUSA-N 441.440 4.016 5 20 IIBD Cc1nc(COC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)oc1C 920264249 ZLVLHSPGDOGOME-UHFFFAOYSA-N 429.816 4.462 5 20 IIBD CC(C)COC(=O)Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 920314892 YGEPRSRQCIALAB-UHFFFAOYSA-N 427.866 4.254 5 20 IIBD C[C@H](Nc1ccc(C(=O)OCc2nc(N)c3ccccc3n2)cc1[N+](=O)[O-])c1ccccn1 920549485 YCJGZSZJYDKNFV-AWEZNQCLSA-N 444.451 4.045 5 20 IIBD COc1cc(C(=O)OCc2ccc(F)c(F)c2)c([N+](=O)[O-])cc1OCc1cscn1 920653669 RMGZGBSHESOMKB-UHFFFAOYSA-N 436.392 4.274 5 20 IIBD O=C([C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1322063941 ROSUEGMANYTTQX-WOJBJXKFSA-N 434.323 4.350 5 20 IIBD CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 1323206074 GTTKWLJYMHDIOW-UHFFFAOYSA-N 436.468 4.098 5 20 IIBD CCc1nc(-c2nnc(COc3ccccc3[N+](=O)[O-])o2)nn1-c1ccccc1Cl 1328230371 AKVBZDOBAJDHEQ-UHFFFAOYSA-N 426.820 4.020 5 20 IIBD O=C(CSCc1cccs1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 1340749001 WHGFIENRVDSYJC-UHFFFAOYSA-N 427.345 4.237 5 20 IIBD CCOc1cccc(CC(=O)O[C@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])n1 1342610713 NLSYXNAKGZAZLQ-GOSISDBHSA-N 437.290 4.125 5 20 IIBD CC(C)(C)OC(=O)NC[C@](C)(O)CSc1nc2ccccc2c2nc3ccccc3n12 1651536989 ZSBIKZBPGOUFAY-QHCPKHFHSA-N 438.553 4.404 5 20 IIBD Cc1ccnc(C(=O)NC2(c3ccc(NC(=O)c4ccc(O)c([N+](=O)[O-])c4)cc3)CCC2)c1 1790619773 PXKBHOJXVCDCNF-UHFFFAOYSA-N 446.463 4.065 5 20 IIBD Cc1cc(Cl)cc(C(=O)N2CCCC23CN(C(=O)c2c(F)ccc([N+](=O)[O-])c2C)C3)c1 1846815457 BPAAVGWOMJRPIB-UHFFFAOYSA-N 445.878 4.135 5 20 IIBD CCNc1ccc(C(=O)OCC(=O)N2CC[C@@H](C)Sc3ccccc32)cc1[N+](=O)[O-] 10530807 WGRSHNGBGZBOFA-CQSZACIVSA-N 429.498 4.101 5 20 IIBD Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 10862811 KTPGUTLRQMWRMC-UHFFFAOYSA-N 432.432 4.238 5 20 IIBD C[C@H](OC(=O)c1c(F)cccc1F)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 11125285 SSVUTFLPKGUORJ-JTQLQIEISA-N 433.392 4.181 5 20 IIBD CC(C)OCc1c(C(=O)O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])oc2ccccc12 11242419 YSOOVOHEZCWRMT-CQSZACIVSA-N 426.425 4.450 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1oc2ccccc2c1COC(C)C 11242830 NETFFIPSSZGATH-UHFFFAOYSA-N 442.424 4.070 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 15195867 GUZHQTYHIWLGIK-UHFFFAOYSA-N 427.810 4.225 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@@H](NCCNc1ccccc1[N+](=O)[O-])c1ccccc1 15501214 BNPOQRFXSSIJOW-QHCPKHFHSA-N 434.496 4.293 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1cccc(Br)c1 15709959 ORXFWGUHMWSHHE-SECBINFHSA-N 427.638 4.195 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)CSc1nc2ccccc2o1)c1ccccc1[N+](=O)[O-] 16144804 KQJWJMWABLIQEP-INIZCTEOSA-N 443.481 4.027 5 20 IIBD C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 17273362 RIMZGGNDHHURKL-LBPRGKRZSA-N 429.527 4.293 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2cc(C(C)C)nc3ccccc23)c([N+](=O)[O-])c1 18023841 NIAXCIJSCSYRDH-UHFFFAOYSA-N 437.452 4.461 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@H](c1ccccc1)c1ccc(Cl)cc1 21841391 SDUXAVITMRACDT-OAQYLSRUSA-N 437.839 4.062 5 20 IIBD CSc1ccc(C(=O)O[C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-] 22162220 LOKZCDVIGFIDLT-STQMWFEESA-N 428.466 4.486 5 20 IIBD CN1c2ccccc2C(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 24098629 ZGOJWXYEVBYPFI-HSZRJFAPSA-N 425.448 4.326 5 20 IIBD COC(=O)c1cc(CN(C)C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)oc1C 24279013 ZZXIYHUAGABUMH-UHFFFAOYSA-N 437.452 4.167 5 20 IIBD Cc1ccccc1CN(C)C(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 25509582 TXKZSZHJOCFKNS-UHFFFAOYSA-N 431.492 4.472 5 20 IIBD CCOc1ccc(C(=O)OCc2nc(-c3cccc(Br)c3)no2)cc1[N+](=O)[O-] 27935425 UULFUYISOVFGCD-UHFFFAOYSA-N 448.229 4.163 5 20 IIBD Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)OC(=O)Cn1c2ccccc2c(=O)c2ccccc21 28775015 UEJFDHVKXYHKDR-MOPGFXCFSA-N 442.515 4.272 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)NCC2(c3ccc(F)cc3)CCCC2)cc1OC 57617945 PWIPAWLYYKCNLI-UHFFFAOYSA-N 446.475 4.010 5 20 IIBD Cc1c(C(=O)Nc2ccc(F)c(NS(=O)(=O)c3cccs3)c2)cccc1[N+](=O)[O-] 58379712 ZKGSFXDFQPTPFT-UHFFFAOYSA-N 435.458 4.157 5 20 IIBD O=C(Nc1ccccc1)C1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 64897628 LWKHQALPKAHAEL-UHFFFAOYSA-N 436.493 4.209 5 20 IIBD COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)COc1ccc([N+](=O)[O-])cc1)CC2 68847225 IXOPWWLZFXRLSI-VWLOTQADSA-N 448.475 4.165 5 20 IIBD C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)c1cccc([N+](=O)[O-])c1 108291397 VGPWXTLXABDRGU-KZULUSFZSA-N 436.295 4.384 5 20 IIBD CC(C)c1noc(-c2ccc(NC(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)cc2)n1 110957024 UDYOHUXDGMJFAY-UHFFFAOYSA-N 436.472 4.122 5 20 IIBD C[C@@H](OC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2)C(N)=O 209955449 SLROIPNNWYGZAG-IZCBMXNHSA-N 431.448 4.051 5 20 IIBD Cc1cc(C)n(CCCNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n1 237779021 OIFQARXQGBXDER-UHFFFAOYSA-N 430.512 4.441 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)cc1Cl 427846383 HMLROGLCZYXVJW-UHFFFAOYSA-N 436.173 4.175 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2C(=O)N(C)[C@H]2CC[C@H](C)C2)c1 430466068 RSMSWJSATWMJRH-YOEHRIQHSA-N 445.541 4.273 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2CCCC[C@H](SC)C2)c([N+](=O)[O-])c1 434949406 BTYCWSGWCNMBDJ-INIZCTEOSA-N 428.510 4.334 5 20 IIBD Cc1cc(C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)ns1 435566450 VVUHJGGILVFOGV-UHFFFAOYSA-N 428.539 4.046 5 20 IIBD CC(=O)Nc1cccc([C@H](C)NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1 435922976 MMSYTBISBVCYQG-LBPRGKRZSA-N 435.430 4.409 5 20 IIBD COc1ccc(-c2ccc(CNC(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2)cc1 442389259 XKXVBIRARYRYBL-UHFFFAOYSA-N 439.855 4.179 5 20 IIBD Cc1ccc(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c(O[C@H]2CCOC2)c1 444228086 QPADTQUZPPVKIR-KRWDZBQOSA-N 446.478 4.227 5 20 IIBD C[C@H](O)C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1ccccc1 444230596 YYYCQGTZEOPZJJ-HOCLYGCPSA-N 436.458 4.244 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCO[C@@H](CCc2ccccc2)C1 444307859 BXXDSHYVOJLBTA-SFHVURJKSA-N 430.479 4.294 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(-c3nc([C@H]4CN5CCCC[C@H]5CO4)no3)cc2[N+](=O)[O-])C1 445817610 GPYFDMMXXOUREJ-KALAIVBUSA-N 441.532 4.053 5 20 IIBD O=[N+]([O-])c1cc(-c2nc([C@H]3CN4CCCC[C@@H]4CO3)no2)ccc1NCc1ccccc1 445820078 SUIPHZUXKDPOOB-WIYYLYMNSA-N 435.484 4.183 5 20 IIBD CSc1cccc(C(=O)Nc2ncnc3c2c(C)c(C)n3C[C@@H]2CCCO2)c1[N+](=O)[O-] 445960331 PBKRKUZANUFIGM-AWEZNQCLSA-N 441.513 4.110 5 20 IIBD Cc1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cccc1C(=O)N1CCCC1 446139205 QYIIHWXRNXXKBG-UHFFFAOYSA-N 446.301 4.083 5 20 IIBD CCOc1ccc([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1OC 447020013 ZSIQFARCVMJAEU-NSHDSACASA-N 448.419 4.060 5 20 IIBD CC[C@H](Cc1ccccc1Br)C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 461411567 OXCWBGZAXNJAGH-CQSZACIVSA-N 433.302 4.347 5 20 IIBD CC[C@@H]1c2ccsc2CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 461582967 UZZPQKCQVMMSQC-HNAYVOBHSA-N 439.541 4.465 5 20 IIBD CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)c2ccccc12 462355296 BEHKMWSJIRYTCT-UHFFFAOYSA-N 436.449 4.055 5 20 IIBD COc1cc(OC)cc(-c2cccc(NC(=O)c3cc(O)nc4ccc([N+](=O)[O-])cc34)n2)c1 462837795 GKIPXLQQVGYTCF-UHFFFAOYSA-N 446.419 4.180 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@@H](C)CC(C)(C)OC)c([N+](=O)[O-])c1 462912011 VMMXXPBLHDSSEP-INIZCTEOSA-N 435.546 4.426 5 20 IIBD COc1ccc([C@@H](NC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c2ccc(C)cc2)cc1 464027644 IFHYERVCYQZMDA-QHCPKHFHSA-N 447.491 4.373 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1 465130837 HQHXTTLDKWYRSF-UHFFFAOYSA-N 449.394 4.495 5 20 IIBD CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 466438782 PTQHPRJHLAXXLK-STQMWFEESA-N 435.933 4.432 5 20 IIBD Cc1ccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC[C@H]2CCCO2)c1 466639316 KODSXKWWJMZFNI-CRAIPNDOSA-N 448.903 4.198 5 20 IIBD Nc1c(C(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)cccc1[N+](=O)[O-] 468676297 JTYUJCJTTDMDGM-UHFFFAOYSA-N 446.250 4.383 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)NC1(c2noc([C@H]3CCCO3)n2)CCCCCC1 470138716 SEJROMARKAICON-MRXNPFEDSA-N 433.440 4.340 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)NC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1F 472555276 HTAAUTKJGSSNCT-GFCCVEGCSA-N 448.838 4.392 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCc2nc3c(s2)CCCC3)cc1[N+](=O)[O-])c1ccccn1 473920982 TYGGUAVFTLFTGN-AWEZNQCLSA-N 437.525 4.428 5 20 IIBD COCc1cc([N+](=O)[O-])ccc1NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 475724660 LRMAKBBNHZIUFV-UHFFFAOYSA-N 437.418 4.477 5 20 IIBD Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)n2)n1 476351252 AYOVWFSIWAGSIE-UHFFFAOYSA-N 425.876 4.251 5 20 IIBD Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cccc1N1C(=O)CNC1=O 478268592 QOGDLYZRVPBFTJ-UHFFFAOYSA-N 446.419 4.004 5 20 IIBD CC1(c2cccc(Cl)c2)CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 478478813 FMNAPYQVRCGJTN-UHFFFAOYSA-N 425.876 4.023 5 20 IIBD O=C(N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1cc2cccc([N+](=O)[O-])c2[nH]1 478479122 IIAZJBDULKGGOU-CQSZACIVSA-N 427.766 4.212 5 20 IIBD O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1ccc(Br)cc1[N+](=O)[O-] 479236069 ANSZNKGETFIIGC-LLVKDONJSA-N 442.672 4.159 5 20 IIBD COc1cc(C(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)c([N+](=O)[O-])cc1OC 480286981 HUEYILLONCAFJE-HNNXBMFYSA-N 449.463 4.355 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CC(C)(C)O[C@@]4(CCCOC4)C3)c([N+](=O)[O-])c2)cc1 481082803 RZQHSIWTXQDERV-DEOSSOPVSA-N 439.512 4.320 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]1c1nc2ccccc2n1C(C)C 481434013 JNHKMXNGLKVPBG-LJQANCHMSA-N 428.514 4.360 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)c1C 481614597 LMJREFDYZJMCAN-LJAQVGFWSA-N 444.534 4.320 5 20 IIBD CN(C)C(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cc1 482023202 BTBFPYNUXXUZSB-UHFFFAOYSA-N 435.505 4.378 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 482705016 KHFIQQYUKYWRBH-UHFFFAOYSA-N 443.569 4.477 5 20 IIBD O=C([C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1CCC[C@@H](c2ccc(F)cc2)CC1 484031102 FCCWWKHNWUCAQX-CRAIPNDOSA-N 445.516 4.196 5 20 IIBD C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 485436618 XQKUECSHTIGDKM-JTQLQIEISA-N 429.782 4.425 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)NC(C)(C)Cc2ccccc2Cl)cc1OC 485922459 SQWSNLREPZBECL-UHFFFAOYSA-N 436.892 4.033 5 20 IIBD COC(=O)c1cc(NC(=O)Cc2csc(-c3cccc(C)c3)n2)c(C)c([N+](=O)[O-])c1 485952462 BCTRZKHBNHNJNY-UHFFFAOYSA-N 425.466 4.303 5 20 IIBD CC[C@@H](NC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)c1cc(F)cc(Br)c1 486703361 PFICCLLKRVCFGQ-OAHLLOKOSA-N 438.253 4.011 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 488016771 VNPVBTOTMFOYIR-SJLPKXTDSA-N 442.274 4.413 5 20 IIBD CC(C)Oc1ccc(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(C(F)(F)F)c1 488270563 YFWYPAKGXSJZTH-UHFFFAOYSA-N 441.410 4.466 5 20 IIBD CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)n[nH]1 489239077 ZWWKBRGZFLSVDU-WDEREUQCSA-N 425.439 4.082 5 20 IIBD COc1ccc(CSCC(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)cc1[N+](=O)[O-] 489856936 KVUXGHXMGZOBHS-GOSISDBHSA-N 440.525 4.385 5 20 IIBD O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1csc(-c2ccc(Cl)s2)n1 490394800 DMZQSCSPWQZFNQ-UHFFFAOYSA-N 432.874 4.471 5 20 IIBD COC(=O)c1ccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c(OC(F)F)c1 494184394 AJKVCBKLJUYXSI-UHFFFAOYSA-N 435.383 4.179 5 20 IIBD O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccc([N+](=O)[O-])c2cccnc12 497753369 OAGMEJCPTGTLHV-UHFFFAOYSA-N 428.452 4.380 5 20 IIBD COc1ccc(CCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c(Cl)c1OC 500574077 CIEDYFVOJUBWMD-UHFFFAOYSA-N 445.324 4.370 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CC)CS(=O)(=O)c1ccccc1 503638128 RONLEKPGGMLWBM-HNNXBMFYSA-N 436.555 4.079 5 20 IIBD C[C@@H]1Oc2ccc(NC(=O)c3ccc(N[C@H](C)c4ccccn4)c([N+](=O)[O-])c3)cc2NC1=O 506039771 CDONNGNFVZSCOI-KGLIPLIRSA-N 447.451 4.135 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)c1sc(-c2ccccc2)nc1C 507309594 PIAVUOYDJLYZLT-CYBMUJFWSA-N 433.511 4.075 5 20 IIBD C[C@H](c1ccc(OC(F)(F)F)cc1)[S@@](=O)CCC(=O)Nc1ccccc1[N+](=O)[O-] 507712265 AKGWTCIORRHCTE-ZNNHIBJESA-N 430.404 4.332 5 20 IIBD CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ncnc2cccc([N+](=O)[O-])c12 509059144 YPCQQXXEGDPGIW-UHFFFAOYSA-N 439.781 4.285 5 20 IIBD COc1cc(CCNC(=O)Cc2cc3c(ccc4ccccc43)o2)c([N+](=O)[O-])cc1OC 510061557 ROSGTLSNICJUDA-UHFFFAOYSA-N 434.448 4.413 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 511784826 LXYAWCMWLGKVLA-DYESRHJHSA-N 448.926 4.264 5 20 IIBD CC(=O)N(C)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 512292695 IXFXZTUCZKPTBK-UHFFFAOYSA-N 436.306 4.060 5 20 IIBD C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 513343904 VTRXEEJGFVOMHD-CQSZACIVSA-N 433.302 4.267 5 20 IIBD O=[N+]([O-])c1cc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)ccc1Oc1ccc(F)cc1 513665792 HIEPADQIEDWBML-QGZVFWFLSA-N 437.475 4.444 5 20 IIBD CCCOc1cc(NC(=O)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c([N+](=O)[O-])cc1OCCC 515261332 BLGOVSKIOALVAU-ARFHVFGLSA-N 435.521 4.052 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 518312991 AOSUIQFXCXXCSW-OAHLLOKOSA-N 426.498 4.466 5 20 IIBD CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 520098176 OOQOSIRWZFXQPS-CHWSQXEVSA-N 449.891 4.082 5 20 IIBD COc1ccccc1CN(Cc1cccs1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 520547153 OKEJSECKTZPICC-UHFFFAOYSA-N 442.493 4.281 5 20 IIBD O=C(Nc1cccc(-c2ccc3c(c2)CCO3)n1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 520830650 JOGWKFMIYXEYFV-UHFFFAOYSA-N 427.420 4.030 5 20 IIBD Cc1cc(C(=O)NC2CCCC2)ccc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 521329690 VLCYXWBQZMNLPU-UHFFFAOYSA-N 437.905 4.030 5 20 IIBD Cc1noc(CSc2ccc(C(=O)Nc3ccnn3-c3ccc([N+](=O)[O-])cc3)cc2)n1 521857479 NEMBXOOXJWZAMC-UHFFFAOYSA-N 436.453 4.017 5 20 IIBD CC[C@H](C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C)C(=O)Nc1cccc(N2CCCC2)c1 521973996 DVUPZRYCLYHVRA-AOMKIAJQSA-N 438.528 4.287 5 20 IIBD C[C@H](OCCCNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1ccccc1 522625298 XFABFAJRXAAVOO-HNNXBMFYSA-N 428.876 4.374 5 20 IIBD O=C(c1cc(Br)sc1Br)N1CCc2c1cccc2[N+](=O)[O-] 523088987 AMVJAWXSBFLIID-UHFFFAOYSA-N 432.093 4.384 5 20 IIBD CC(C)Sc1c(Cl)cccc1NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 525073375 DKWUCMIRYFBFQW-UHFFFAOYSA-N 436.921 4.187 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCc2cc(Br)cc(F)c2C1 527278211 SSSHSCXVCGHZFH-UHFFFAOYSA-N 425.279 4.173 5 20 IIBD Cc1ccc(CNCc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1[N+](=O)[O-] 532394163 SJDKHRSNAQDATC-UHFFFAOYSA-N 429.473 4.133 5 20 IIBD CCn1c(SCCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 532635635 OINKPFDWWQDJEC-UHFFFAOYSA-N 427.486 4.003 5 20 IIBD CN(C)c1cccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)n1 533179784 FORYCHIESHJBGS-UHFFFAOYSA-N 431.290 4.368 5 20 IIBD CC(C)c1ccc([C@@]2(C)NC(=O)N(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2=O)cc1 534032736 FTFWLEIDZKHYTH-HSZRJFAPSA-N 434.452 4.340 5 20 IIBD O=C(N[C@@H]1CCCOc2cc(Cl)ccc21)C1CCN(c2ccccc2[N+](=O)[O-])CC1 537283338 RHFASXHOLSGZAO-GOSISDBHSA-N 429.904 4.495 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCC1CCN(c2ccncc2)CC1 537786545 GTJDFFAGLXGSFN-KRWDZBQOSA-N 428.558 4.236 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCC2([C@@H](C)CCO)CCC2)cc1[N+](=O)[O-])c1ccccn1 538360901 TVPYUIKGFOTLJC-IRXDYDNUSA-N 426.517 4.082 5 20 IIBD CS(=O)(=O)c1cccc([C@@H](NCc2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2F)c1 538712895 YSBBCORKVNARBS-OAQYLSRUSA-N 432.448 4.156 5 20 IIBD Cc1cc(NC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])n([C@H]2CCN(Cc3ccccc3)C2)n1 539255200 AOCGCZCUOLRQKB-ICSRJNTNSA-N 448.527 4.429 5 20 IIBD C[C@@H](Cc1cc(Br)ccc1F)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F 542527657 ZGBYEBMUBRKWRH-WDEREUQCSA-N 427.245 4.486 5 20 IIBD COc1ccc(NC(=O)N(Cc2c(C)noc2C)Cc2c(C)noc2C)cc1[N+](=O)[O-] 542964978 RUWRQWMWGMCYFQ-UHFFFAOYSA-N 429.433 4.047 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccc(Cl)c1N1CCOCC1 543122785 IAFPHIPQBGVULX-UHFFFAOYSA-N 442.324 4.469 5 20 IIBD Cc1ccccc1C(NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccccc1C 545478855 DTUKXZAVOAWJAE-UHFFFAOYSA-N 427.464 4.312 5 20 IIBD COc1cc(Cc2noc(Cc3csc(Cc4ccc(F)cc4)n3)n2)ccc1[N+](=O)[O-] 545785388 MGKASHFZHHKWSQ-UHFFFAOYSA-N 440.456 4.354 5 20 IIBD COc1cccc(NC(=O)COc2ccc(-c3nc(-c4ccc([N+](=O)[O-])cc4)no3)cc2)c1 546965839 WAYTXISRVXTTJW-UHFFFAOYSA-N 446.419 4.338 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCN(c2ccnc3ccccc23)CC1 552147582 OGFZYQIBURWWDE-UHFFFAOYSA-N 448.526 4.052 5 20 IIBD CC(=O)c1cc(N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn34)C2)ccc1[N+](=O)[O-] 552924163 DODQJYLKXBDGEX-ZDUSSCGKSA-N 433.390 4.243 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)cc(C)c(=O)n2C 553900903 FHGCJVZTNCGVOA-UHFFFAOYSA-N 430.258 4.078 5 20 IIBD COc1ccc(CN2CC[C@@H]3[C@H](CCCN3C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 557014087 NIBMMKPEEHAPQD-IFMALSPDSA-N 425.529 4.099 5 20 IIBD CCCN(CCN1CCCCC1)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 557630286 IQGWWQMVCWHJON-UHFFFAOYSA-N 427.495 4.298 5 20 IIBD COc1cc(Cc2noc([C@@H]3CCN(c4ccccc4Cl)C3)n2)c([N+](=O)[O-])c(OC)c1 564451743 BHCLBDAXUCBHIL-CYBMUJFWSA-N 444.875 4.233 5 20 IIBD Nc1ccc(-c2noc(CCCC(=O)c3ccc(Br)cc3)n2)cc1[N+](=O)[O-] 580361210 TXRBQSYMOFLHBT-UHFFFAOYSA-N 431.246 4.195 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)c1oc2ccc(OC)cc2c1C 581756478 KTVQSFZTRGAEPW-ZDUSSCGKSA-N 425.441 4.036 5 20 IIBD CC(C)Oc1ccccc1[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 582157249 WJXBJHQFSZXQFO-ZDUSSCGKSA-N 427.486 4.142 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2c2nc(Cc3ccc4ccccc4n3)no2)ccc1[N+](=O)[O-] 589089356 UYRUOURDTBGMJZ-NRFANRHFSA-N 443.463 4.403 5 20 IIBD Cc1cc(NC(=O)CCCc2nnc(-c3ccccc3)o2)n(-c2ccc([N+](=O)[O-])cc2)n1 603637807 PNLBJQCACFHWLY-UHFFFAOYSA-N 432.440 4.100 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc(I)c1 603638272 AIQDLISEJCSFOU-UHFFFAOYSA-N 434.136 4.053 5 20 IIBD COc1cc(C(=O)N[C@@H](C)c2cccc(OC(F)F)c2)c([N+](=O)[O-])cc1OC(F)F 603668668 JBZHHXDHRLMBPX-VIFPVBQESA-N 432.326 4.297 5 20 IIBD CNS(=O)(=O)c1ccc(N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 603868967 ZKTLBPWFFGILIA-OAHLLOKOSA-N 430.313 4.151 5 20 IIBD COc1cc(C)ccc1Oc1ccc(NC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)cn1 604086944 URPMEUSWBJBNHF-UHFFFAOYSA-N 438.440 4.429 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(CC(=O)Nc2ccccc2F)cc1 609064168 KGZMFLLFPPZRGT-UHFFFAOYSA-N 437.427 4.323 5 20 IIBD CC(C)(C)NC(=O)CCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 609073187 YDCRCUURUBEIHK-UHFFFAOYSA-N 435.933 4.434 5 20 IIBD COc1ccc(Sc2ccc(NC(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 609114542 LZYYOKUFMBCTJA-UHFFFAOYSA-N 437.477 4.123 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(CN(C(C)=O)C(C)C)cc2)cc1SC 609725976 SDRMLRKVRSXRLC-UHFFFAOYSA-N 431.514 4.335 5 20 IIBD CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N1CCCc2ccc([N+](=O)[O-])cc21 609860628 CDDBFPQKOVHNSI-HNNXBMFYSA-N 448.566 4.239 5 20 IIBD COCC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 610152387 UFDNXDJBNSJINW-PBHICJAKSA-N 435.318 4.430 5 20 IIBD Cc1cc(=O)c(C(=O)N(C)c2ccc(-c3ccccc3)cc2)nn1-c1ccccc1[N+](=O)[O-] 610296568 DYEAGUAXXSERJI-UHFFFAOYSA-N 440.459 4.393 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@]2(CO)CCc3ccccc32)cc1 610916067 JEBHMNWGBMCXGS-SANMLTNESA-N 440.503 4.371 5 20 IIBD CCOC(=O)c1cnn(-c2ccc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc2)c1C 611211998 MOVZKQQONNEYDX-UHFFFAOYSA-N 448.479 4.070 5 20 IIBD CCOc1ccc(CN(CCCn2ccnc2)c2ncnc3ccc([N+](=O)[O-])cc23)cc1 611710857 DZEYWZZYJQAMDE-UHFFFAOYSA-N 432.484 4.230 5 20 IIBD CCOc1cc(Br)c(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1OCC 612646493 JIOFAEXURIZNAC-UHFFFAOYSA-N 449.301 4.287 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2cc(F)cc(Br)c2)no1 612899782 GFJRGZQEKJISBU-SECBINFHSA-N 435.209 4.037 5 20 IIBD Cc1cc(Br)ccc1Cc1noc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)n1 612966831 JKKUOQTVZQAZTP-GFCCVEGCSA-N 445.273 4.131 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CCCc1cc(-c2ccc(F)cc2)no1 614936967 KZGORSKAPXTFDF-UHFFFAOYSA-N 428.420 4.494 5 20 IIBD COc1ccc(-n2c(Sc3c([N+](=O)[O-])ncn3C)nnc2-c2ccc(Cl)cc2)cc1 619681765 RCWSBHHAUVNDAM-UHFFFAOYSA-N 442.888 4.389 5 20 IIBD COc1ccccc1/C(C)=C\C(=O)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C 727295439 LZGGMXJPCNSZNT-VBKFSLOCSA-N 436.468 4.494 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2cccc(SC(F)F)c2)cc1[N+](=O)[O-] 727345033 AGPSSRTYFDBYJH-UHFFFAOYSA-N 437.453 4.442 5 20 IIBD CSc1ccc(C(=O)NC[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)cc1[N+](=O)[O-] 728966184 ZHJZKOWKTZIRNS-MRXNPFEDSA-N 434.823 4.150 5 20 IIBD CSc1ccc(Cl)c(C(=O)OC[C@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])c1 730707888 LFMXOLVASRFEQE-CYBMUJFWSA-N 434.901 4.432 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2cn(C)nc2-c2ccccc2Cl)cccc1[N+](=O)[O-] 731260108 IQFWPLDZDHPHQL-CYBMUJFWSA-N 442.859 4.141 5 20 IIBD CN(Cc1cc(Br)cs1)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] 731970432 FGICSNSYNLIEFO-UHFFFAOYSA-N 441.275 4.052 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C1CCN(Cc2ccccc2)CC1 733226949 HGKZUQYNDWKILS-UHFFFAOYSA-N 436.556 4.322 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N[C@@H](c1ccccc1)C1CCOCC1 734485365 WPLIASFDXQCWOP-SFHVURJKSA-N 444.431 4.468 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCc2c1cccc2[N+](=O)[O-] 737582452 QXIOZRCHZIFZQP-UHFFFAOYSA-N 448.222 4.198 5 20 IIBD C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 742308015 BBEOXTHNILZNAQ-IOASZLSFSA-N 439.331 4.313 5 20 IIBD O=[N+]([O-])c1ccc2nc(N(CCO)Cc3cc(Br)ccc3F)sc2c1 742418338 QYOAGBOAXTVZBP-UHFFFAOYSA-N 426.267 4.105 5 20 IIBD COc1cccc(CN2CCC(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 742563382 YRLAASNCOOEVQK-UHFFFAOYSA-N 437.418 4.017 5 20 IIBD CCOc1cc(N2CCC(OC(=O)COc3ccccc3CC)CC2)ccc1[N+](=O)[O-] 744204582 QYPKBOBJALQIPJ-UHFFFAOYSA-N 428.485 4.147 5 20 IIBD CC(C)c1nn(C)c2sc(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc12 745532728 BFJKJSGITBHGNO-UHFFFAOYSA-N 436.877 4.115 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)[C@H](C)c2ccc(Br)s2)cccc1[N+](=O)[O-] 745644281 YKXKJJJGPMWDDP-MNOVXSKESA-N 441.303 4.401 5 20 IIBD Cc1nc(C(C)(C)C)sc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 747259168 PNIUGNQHZWGBLB-SNVBAGLBSA-N 425.894 4.495 5 20 IIBD CCN(C(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 747321909 MXMPSZLBODCCRU-UHFFFAOYSA-N 448.444 4.034 5 20 IIBD CCCN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@@H](C)C(=O)Nc1ccccc1 749365350 MIOXXCKQEZVFMG-ZDUSSCGKSA-N 434.290 4.237 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 751358748 GYKQKNDKJQDWAS-GOSISDBHSA-N 445.324 4.036 5 20 IIBD CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CC(=O)OCc1nc3cc([N+](=O)[O-])ccc3o1)C2 751675452 LVZMKBZHWVZPNP-GJZGRUSLSA-N 445.472 4.347 5 20 IIBD COC(=O)Nc1cc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)ccc1F 753064459 LKZZOWZMGALCFQ-UHFFFAOYSA-N 426.198 4.235 5 20 IIBD Cc1noc(C)c1[C@@H](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 753999310 IOWFBXFTCZMFGM-LBPRGKRZSA-N 440.422 4.061 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)cc1[N+](=O)[O-] 754381451 DTGGTAAAIGYLTG-CQSZACIVSA-N 433.848 4.396 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(N3CCC(O)CC3)cc2)CC1 754884117 XSJHRKYNCIEODS-UHFFFAOYSA-N 438.528 4.045 5 20 IIBD C[C@@H](OC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccccc1C(F)(F)F 755064876 BEUMHUNYXUMXMT-GHMZBOCLSA-N 428.338 4.427 5 20 IIBD CCOc1cc(N2CCC(OC(=O)CCc3cccc([N+](=O)[O-])c3)CC2)ccc1[N+](=O)[O-] 756290859 WQXPWAMVSSONCY-UHFFFAOYSA-N 443.456 4.047 5 20 IIBD O=C(CSc1nnc(-c2cccs2)n1C1CC1)NCc1cc([N+](=O)[O-])ccc1Cl 756997017 OYWOXYOIRTURRI-UHFFFAOYSA-N 449.945 4.312 5 20 IIBD Cc1cc(N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 758478888 BSDJEBWBPFJUFQ-FUHWJXTLSA-N 441.532 4.490 5 20 IIBD CS(=O)(=O)c1cc(C(=O)Nc2ccc3cc(Br)ccc3c2)cc([N+](=O)[O-])c1 763717081 LZRJYJUDEHQUTG-UHFFFAOYSA-N 449.282 4.166 5 20 IIBD O=C(OCc1nc2cc(C(F)(F)F)ccc2o1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 763868501 AKJPHDOLPBAQSO-UHFFFAOYSA-N 432.314 4.298 5 20 IIBD CCOc1ccc2ccccc2c1OC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O 766860157 KSAZQFFEHHJVHU-UHFFFAOYSA-N 445.431 4.220 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)O[C@@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 769887149 JDWVPAJBCJPRKV-VIFPVBQESA-N 446.328 4.400 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1 770116096 HTPBZYXJHHCSKD-KRWDZBQOSA-N 444.406 4.448 5 20 IIBD CCC[C@@H](NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)C(=O)Nc1cccc(N2CCCC2)c1 770414943 JFVUFZFUJFIUGQ-LJQANCHMSA-N 446.454 4.010 5 20 IIBD COc1c([N+](=O)[O-])ccc(/C=C2\C(=O)N(c3ccccc3C)C(=O)c3ccccc32)c1O 772176786 QFBLDEHALHVBIZ-AQTBWJFISA-N 430.416 4.345 5 20 IIBD C[C@@H]1CN(c2cccc3cnccc23)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 773433739 POXCJYQTADLYOF-GOSISDBHSA-N 445.523 4.094 5 20 IIBD Cn1c(COC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)nc2ccc(Br)cc21 775170253 JNFXXIOGXQFOKL-UHFFFAOYSA-N 443.257 4.011 5 20 IIBD O=C(CSc1ccc2c(c1)OCCO2)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776136119 VMAAGGXKGZMODW-JOCHJYFZSA-N 438.461 4.186 5 20 IIBD O=[N+]([O-])c1ccc([C@@H](O)CSc2nnc(-c3ccc(F)cc3)n2Cc2ccco2)cc1 776277222 LXAFFTLHMRKYGG-IBGZPJMESA-N 440.456 4.459 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 778074549 RODCLXLFIVWWAW-BZNIZROVSA-N 443.244 4.342 5 20 IIBD CN(C(=O)c1ccco1)c1ccccc1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 778463884 RBXMKHREHXQAJJ-UHFFFAOYSA-N 427.844 4.090 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 778782806 DRIVAPYUJNAHJJ-QWRGUYRKSA-N 441.303 4.150 5 20 IIBD C[C@@H](OC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C(=O)NCC1CCCCC1 781257219 QQHRIVAFHSXRGL-CYBMUJFWSA-N 442.462 4.201 5 20 IIBD COc1ccc(NC(=O)NC[C@H](O)c2cccc(OCc3ccccc3)c2)cc1[N+](=O)[O-] 782630135 SDRWMMSELJAGPM-NRFANRHFSA-N 437.452 4.038 5 20 IIBD CC(C)c1ccc(C(=O)OCC(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1[N+](=O)[O-] 784258476 ZJTPYQJNGVVHAZ-UHFFFAOYSA-N 448.859 4.328 5 20 IIBD O=C(NC[C@]1(O)CCCc2ccccc21)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 787397208 VFOGSRPEXFCCHW-RUZDIDTESA-N 432.476 4.128 5 20 IIBD COc1ncccc1COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 787973873 ICDOZAKOAIPQLR-UHFFFAOYSA-N 426.812 4.240 5 20 IIBD Cc1cnc(COC(=O)C[C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1[N+](=O)[O-] 789439673 DSMYNVGWVUZCJR-AWEZNQCLSA-N 435.521 4.323 5 20 IIBD CN(C)c1cc(F)c(C(=O)Nc2cc(Cl)cc(Br)c2O)cc1[N+](=O)[O-] 791222744 ZLXXUCYTSLXUHP-UHFFFAOYSA-N 432.633 4.174 5 20 IIBD COc1cccc(-c2noc([C@H](C)NCc3c(Br)cccc3[N+](=O)[O-])n2)c1 792179617 IXRWDMCOUCUQGB-NSHDSACASA-N 433.262 4.267 5 20 IIBD Cc1ccc(NCCCNC(=O)Cc2sc(SC(F)F)nc2C)c([N+](=O)[O-])c1 793550614 UXQQVOGDEHSPMM-UHFFFAOYSA-N 430.502 4.144 5 20 IIBD COCN1C(=O)CCc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)ccc21 793912350 TZROLVMWWJTLNC-UHFFFAOYSA-N 429.498 4.231 5 20 IIBD C[C@@H](OC(=O)[C@@H]1Cc2ccc(F)cc21)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 796071090 DYDCGTRPTZWSTH-PIGZYNQJSA-N 441.440 4.068 5 20 IIBD Cc1nc2ccccc2n1C1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 796464967 UYIWLOOVYSNVNK-UHFFFAOYSA-N 425.464 4.058 5 20 IIBD O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCOC[C@H]1c1nc2ccccc2s1 800234589 CDFVSXWSAKNIHU-HNNXBMFYSA-N 448.298 4.181 5 20 IIBD CCc1c(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)cnn1-c1ccc(C(F)(F)F)cc1 801962423 HHDPWKWUYBGKJT-UHFFFAOYSA-N 437.353 4.335 5 20 IIBD Cc1cccc(C(=O)NC[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)c1[N+](=O)[O-] 803459961 QCBXWTFSTOCPGM-IBGZPJMESA-N 425.485 4.168 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@](C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)(C(F)(F)F)C1 808070655 TYXLRJMMRMQSMR-INIZCTEOSA-N 439.337 4.001 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn(-c2ccc(Cl)nn2)c1C(F)(F)F 813292324 OHKMUDUATRXIOU-UHFFFAOYSA-N 440.769 4.057 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc2nc(Cl)sc2c1 813372731 CQWIVFPYEOCXMB-UHFFFAOYSA-N 432.845 4.185 5 20 IIBD CS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)c1 815170427 SVIJEEPDPKYMCP-UHFFFAOYSA-N 437.779 4.028 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O 815235361 TUQABLUQKLKFLC-XPIZARPCSA-N 428.460 4.208 5 20 IIBD CC1(C)CCC[C@]1(O)CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 818108349 KOCALHRDBNHOIZ-QFIPXVFZSA-N 445.903 4.172 5 20 IIBD CCCCC(=O)O[C@H](c1ccccc1)[C@@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 864021891 HJRWEMREEILRJV-IERDGZPVSA-N 434.514 4.079 5 20 IIBD COc1ccc(CSCC(=O)O[C@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1[N+](=O)[O-] 914918007 UJEIMRVVOLLKLW-CQSZACIVSA-N 443.481 4.499 5 20 IIBD C[C@@H](Sc1ccc(Cl)cc1)C(=O)N(C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 916991321 SGNAEFORBXBSIX-SNVBAGLBSA-N 449.337 4.230 5 20 IIBD CC(C)CCSc1ccc(C(=O)Oc2ccc(NS(C)(=O)=O)cc2)cc1[N+](=O)[O-] 917511050 NXKCEJOOXYQXBA-UHFFFAOYSA-N 438.527 4.324 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl 918537223 IQTAXYPDKOMVQA-LLVKDONJSA-N 441.267 4.162 5 20 IIBD O=C(COC(=O)c1csc([N+](=O)[O-])c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 919368236 MARDZBJHNFSMHI-UHFFFAOYSA-N 442.293 4.489 5 20 IIBD O=C1c2ccccc2C(=O)N1CC1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 1319302300 WXLIISXQXHBHBI-UHFFFAOYSA-N 433.386 4.126 5 20 IIBD Cc1ccc([C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2N)c2ccccn2)cc1 1322747317 WKXYAVYMPXBTMT-IBGZPJMESA-N 441.285 4.162 5 20 IIBD CN(C(=O)/C=C\c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1323317518 OSIDBRUFMLFKFC-DJWKRKHSSA-N 449.699 4.416 5 20 IIBD Cc1nn(-c2ccccc2)c2sc(-c3nnc(C(C)(C)n4cc([N+](=O)[O-])cn4)o3)cc12 1323918963 RSFBXQLQDWMZSX-UHFFFAOYSA-N 435.469 4.334 5 20 IIBD Cc1ccc(OS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c2c1[C@H](C)CC2=O 1338739021 LQFPXPSQOGMMCU-SNVBAGLBSA-N 440.271 4.123 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccn(-c3ccccc3C(F)(F)F)n2)c(C)c([N+](=O)[O-])c1 1343628315 YPIRMJUZSFLWDN-UHFFFAOYSA-N 448.357 4.147 5 20 IIBD COc1ccc(NC(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)c([N+](=O)[O-])c1 1349860416 UFRPMUZHJSHMPL-UHFFFAOYSA-N 437.374 4.148 5 20 IIBD COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)C(C)(C)C)CCC3)cc2)c([N+](=O)[O-])c1 1790571115 ACJAQOZFHSPIHE-UHFFFAOYSA-N 439.512 4.326 5 20 IIBD CC(C)/C=C/C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 1801208973 ZPXJZQTUBOFZBD-KFSMGIKGSA-N 427.526 4.274 5 20 IIBD Cc1cc(Cl)cc(C(=O)N2CCC3(CCCN(C(=O)c4ccc([N+](=O)[O-])o4)C3)CC2)c1 1804649991 MKPLJMBTPCGMGU-UHFFFAOYSA-N 445.903 4.308 5 20 IIBD O=C(Cc1cc([N+](=O)[O-])ccc1F)N1CCC2(CCCN(C(=O)C3CCCCC3)C2)CC1 1808969609 MMTUJAFFKKJHAQ-UHFFFAOYSA-N 445.535 4.088 5 20 IIBD CCCCC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1 1822001368 RCJBPMFLCLARKQ-HOCLYGCPSA-N 431.493 4.433 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cc([C@@H]2CCCCN2C(=O)C2=CCCC2)[nH]n1 1823500811 LCMPZLRZYBAIDH-SJFMBGHLSA-N 435.484 4.134 5 20 IIBD CC(C)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])CC2 1825146597 HQMRLPGOFOREPO-OQRGYWNNSA-N 442.541 4.113 5 20 IIBD CSc1ccc(C(=O)OCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1[N+](=O)[O-] 9553197 AIGVWSNOMUHCKM-UHFFFAOYSA-N 429.498 4.103 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccccc1CSC1=NCCS1 9556161 XSRIDMPAAJMUOF-UHFFFAOYSA-N 445.522 4.035 5 20 IIBD CCOc1ccccc1NC(=O)COC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 10210162 RQCYKIDNFHEFNR-UHFFFAOYSA-N 441.484 4.025 5 20 IIBD COc1ccc(Cl)cc1CN(C)C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 10279429 MRKKXOVBWZSPCS-UHFFFAOYSA-N 442.903 4.391 5 20 IIBD COc1cc(COC(=O)c2ccccc2Br)c([N+](=O)[O-])cc1OC(F)F 12484774 MWNNWWRXJLRSED-UHFFFAOYSA-N 432.173 4.324 5 20 IIBD COc1ccc([N+](=O)[O-])cc1OCC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 14070050 NASJXRDJAKPJNK-INIZCTEOSA-N 449.463 4.112 5 20 IIBD O=C(COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc2c(c1)OC1(CCCC1)O2 23551938 WEKLRVNIVGNHMJ-UHFFFAOYSA-N 432.816 4.085 5 20 IIBD COc1ccc(NC(=O)CCSc2nnc3cc(C)c4ccccc4n23)c([N+](=O)[O-])c1 26368025 HJNCTQBYEMXZMC-UHFFFAOYSA-N 437.481 4.229 5 20 IIBD CC(C)[C@@H](CNC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccccc1 27635087 CLYBFOUGOKKSRU-QGZVFWFLSA-N 425.514 4.044 5 20 IIBD O=C(CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)NC(c1ccccc1)c1ccccc1 28844260 XAVVKFLQCKRCFL-UHFFFAOYSA-N 444.535 4.013 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCc1cccc(COCc2ccco2)c1 30429603 LBZJHFTXKDSGMP-UHFFFAOYSA-N 436.873 4.037 5 20 IIBD CCCCOc1ccc(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1OC 32749818 HQBOEPBLAJDPRL-UHFFFAOYSA-N 441.528 4.315 5 20 IIBD CCn1c(S[C@H](C(=O)NCc2cccnc2)C(C)C)nc2cc3ccccc3cc2c1=O 64854142 ONSWRYDWYMDVDU-QFIPXVFZSA-N 446.576 4.398 5 20 IIBD O=C(Nc1cc(Cl)ccc1-n1cncn1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 64895995 GSZKZIPVNBLRNZ-UHFFFAOYSA-N 426.845 4.205 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N3C[C@@H](C)OC(C)(C)C3)c([N+](=O)[O-])c2)c(C)c1 65280772 XHBZMRPIJYKEJV-MRXNPFEDSA-N 433.530 4.016 5 20 IIBD COc1ccc(C[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)c2ccc(OC)cc2)cc1 71885374 KLUCXGWCSVLBFP-QFIPXVFZSA-N 446.463 4.202 5 20 IIBD CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1 109852090 FPPVNIGZQNFESY-HNNXBMFYSA-N 446.548 4.089 5 20 IIBD CS(=O)(=O)c1ccc(NCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)c([N+](=O)[O-])c1 302214849 OFRSEIUEGFFDGN-HNNXBMFYSA-N 443.550 4.339 5 20 IIBD CSc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)cc1[N+](=O)[O-] 303494354 MFKOUXOHNLPUDJ-CYBMUJFWSA-N 436.331 4.088 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC[C@H]1c1cccc(Br)c1 327879760 ZEWGICXOIBJDAC-AWEZNQCLSA-N 429.267 4.022 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1cc(F)c(F)cc1N1CCCCC1 427418943 CRWYQCINZDZEJP-UHFFFAOYSA-N 442.422 4.429 5 20 IIBD CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 427434991 KOIDFDYECXBRDF-QFIPXVFZSA-N 439.903 4.478 5 20 IIBD C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 429937071 QIJAWNQRGRBVEX-LLVKDONJSA-N 432.274 4.197 5 20 IIBD COc1cccc(C(=O)NCC2(c3ccc(Cl)cc3Cl)CCOCC2)c1[N+](=O)[O-] 435532309 QBJRFAUWDUJFMB-UHFFFAOYSA-N 439.295 4.388 5 20 IIBD CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 435949660 NETXYENEFKJROE-UHFFFAOYSA-N 426.451 4.278 5 20 IIBD Cc1ccc([C@H](CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)N(C)C)cc1 436317693 MSGCDSIVUMGLIM-NRFANRHFSA-N 435.474 4.301 5 20 IIBD CN(C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 437943232 SYPCBBUENBAJNW-CZAAIQMYSA-N 441.553 4.070 5 20 IIBD CCOc1cc(NC(=O)N(CCc2ccccc2)[C@H]2CCOC2)c([N+](=O)[O-])cc1OCC 438341340 ZZJJQYIIJKCUJH-SFHVURJKSA-N 443.500 4.258 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 439932594 ONBNDNIVIBESLY-UHFFFAOYSA-N 427.383 4.078 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC(c1cccc(C)c1)c1cccc(C)c1 440056534 ZNDQXMOMVVEIFI-UHFFFAOYSA-N 447.491 4.455 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 441689955 PBQWITDGZWGFGO-UHFFFAOYSA-N 440.843 4.033 5 20 IIBD CCOCCO[C@H]1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 441827736 WKHHFHVRQOEILS-SFHVURJKSA-N 434.876 4.308 5 20 IIBD COC(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 443841413 ZSUWUXRGPPMMGB-UHFFFAOYSA-N 437.374 4.253 5 20 IIBD CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 443999768 CDYGDEXDRIZEBW-OAQYLSRUSA-N 440.547 4.203 5 20 IIBD COc1cc(Cc2noc(-c3ccc(F)c(C(F)(F)F)c3)n2)c([N+](=O)[O-])c(OC)c1 445825136 QZELWMXIZLVQPL-UHFFFAOYSA-N 427.310 4.411 5 20 IIBD O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1C[C@@H](O)Cc2ccccc21 447718211 YWZARUXMMCDQJJ-SFHVURJKSA-N 437.883 4.424 5 20 IIBD CSc1ccc(C(=O)NC(C)(C)COc2ncccc2Br)cc1[N+](=O)[O-] 448399384 CDIOSTPHGWTGNO-UHFFFAOYSA-N 440.319 4.062 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@H]3c3cccc(F)c3)n2C[C@H]2CCOC2)c1 461366041 MDPOZDXBLYBPGB-IERDGZPVSA-N 437.475 4.370 5 20 IIBD O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@H](n2cc(Cl)cn2)C1 461636157 IFQARECBJSWJAY-SFHVURJKSA-N 425.876 4.144 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1ccc(Cl)c2ccccc12 462215073 VHCPBENOFSYEQJ-LBPRGKRZSA-N 432.885 4.296 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H]1CCO[C@@H](c2ccccc2)C1 462917578 VTBDDEIFFARZEB-VQIMIIECSA-N 437.418 4.452 5 20 IIBD O=C(NCc1ccc(OCc2ccccc2F)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 464264943 YSRVIVLAIQDRBY-UHFFFAOYSA-N 438.411 4.014 5 20 IIBD COc1cc(C(=O)NCc2coc(-c3ccc(C)cc3)n2)c([N+](=O)[O-])cc1OC(F)F 465183037 HOQGTRMDZTXTEP-UHFFFAOYSA-N 433.367 4.098 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(C)cc2OC[C@@H]2CCCO2)cc1SC 466639509 AFWXAHBELSQLLC-INIZCTEOSA-N 446.525 4.122 5 20 IIBD Cc1oc2ccccc2c1CNC(=O)c1ccc([N+](=O)[O-])cc1I 466847871 WHUYTLJJJOXQCV-UHFFFAOYSA-N 436.205 4.184 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1ccccc1Sc1ccccc1 469358092 BVWIOQVYLRGEPX-GOSISDBHSA-N 439.541 4.295 5 20 IIBD Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)cc1 469474320 LAKASIDEKZRUEG-QMHKHESXSA-N 435.480 4.170 5 20 IIBD CC(C)(C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1)c1ccc([N+](=O)[O-])cc1 470460602 QWAQRPHAFFWFQW-INIZCTEOSA-N 432.318 4.030 5 20 IIBD CCOc1cc(N2CCN(Cc3ccc(Br)s3)CC2)ccc1[N+](=O)[O-] 471254987 PFTMLIQWXCIECR-UHFFFAOYSA-N 426.336 4.140 5 20 IIBD O=C(COc1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 471286454 JRCXPBMRYPZDOR-MRXNPFEDSA-N 432.860 4.152 5 20 IIBD CC(C)(C)OC(=O)CCc1cccc(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 471353267 IVPGWHNNSFCDOQ-UHFFFAOYSA-N 441.484 4.164 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3cc([C@@H]4CCCOC4)[nH]n3)cc2[N+](=O)[O-])n1 473406824 JBBBTHURYWUXEX-CYBMUJFWSA-N 445.526 4.380 5 20 IIBD Cn1ccnc1[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cccc(F)c1 475212032 CXBTVFQKYXPQEJ-MRXNPFEDSA-N 437.353 4.397 5 20 IIBD CC(C)c1[nH]nc(C(=O)N2CCC(COc3ccccc3C(F)(F)F)CC2)c1[N+](=O)[O-] 479009403 JNZANSQZCPNIGX-UHFFFAOYSA-N 440.422 4.391 5 20 IIBD COC(=O)[C@](C)(NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1ccc(Cl)c(Cl)c1 479256510 MERHARQLMHLKOG-LJQANCHMSA-N 436.251 4.201 5 20 IIBD CC(C)(C)OC(=O)c1ccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c(F)c1 479446417 ASTCXPUSVVXFNL-UHFFFAOYSA-N 430.841 4.143 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 479762295 HWSLTHAQWLXSPI-UHFFFAOYSA-N 436.390 4.040 5 20 IIBD CCOc1c(Cl)cc(CNC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])cc1OC 483347737 JKFQWSVUQNTTJC-UHFFFAOYSA-N 440.905 4.316 5 20 IIBD Cc1ccc(C(=O)Nc2ccccc2)cc1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 486428234 YVZWVWXCHZJKLB-UHFFFAOYSA-N 430.464 4.157 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)c(C)c([N+](=O)[O-])c1 486878215 HCLIGRQSMDMGQZ-QGZVFWFLSA-N 443.456 4.076 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)cc1[N+](=O)[O-] 488042201 NWXFICOTNYTXAA-CQSZACIVSA-N 445.522 4.257 5 20 IIBD O=C(Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 489379539 MTDHBJVYWGOJMI-UHFFFAOYSA-N 439.811 4.482 5 20 IIBD C[C@@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])C[C@@H](c2cccc(C(F)(F)F)c2)O1 489414195 TVKVFFCNKIJYKD-KUHUBIRLSA-N 437.418 4.328 5 20 IIBD CC(C)c1nc(C2CCN(C(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC2)no1 490383287 YGKXNAAWQGUQKB-UHFFFAOYSA-N 441.410 4.209 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NCc1coc(-c2cccs2)n1 494207798 GPPZITHMPXXXKD-UHFFFAOYSA-N 426.376 4.330 5 20 IIBD CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)CC2 494249198 YOBLBGPOGYPWQH-MSOLQXFVSA-N 427.526 4.188 5 20 IIBD CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N[C@H](C)c1cccc2ccccc12 497384690 HNLOTENNFRKBMK-KDOFPFPSSA-N 441.509 4.070 5 20 IIBD CC(C)Cn1ncc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1C1CC1 497651505 KPTFFFADHNBKQO-UHFFFAOYSA-N 427.505 4.400 5 20 IIBD COc1cccc(-c2nc(C[S@@](=O)Cc3cc([N+](=O)[O-])cc4c3OCOC4)cs2)c1 501474320 JAGKITWWYJTNLE-PMERELPUSA-N 446.506 4.042 5 20 IIBD CC(=O)N(c1cccc(Cl)c1)c1nc(Cn2cc(Cl)cc([N+](=O)[O-])c2=O)cs1 502137975 YHWDUYJMIICBFJ-UHFFFAOYSA-N 439.280 4.253 5 20 IIBD COc1cccc(-n2nc(C)c([C@@H]3COCCN3Cc3cccc([N+](=O)[O-])c3C)c2C)c1 502309714 BJGCZQCQHMGQTG-QHCPKHFHSA-N 436.512 4.288 5 20 IIBD Cc1cc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)nn1CCCOc1ccc(F)cc1 504585142 FNOJLLSFVNIJLG-UHFFFAOYSA-N 441.463 4.072 5 20 IIBD O=c1c(Cl)c(N[C@H](c2ccccc2)[C@H]2CCCO2)cnn1-c1ccc([N+](=O)[O-])cc1 505777638 ONAXEOIUWCDYJC-UYAOXDASSA-N 426.860 4.126 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nc(C)cs3)cc2)cc1OC 506081386 BDIOSSZLLOSWCI-UHFFFAOYSA-N 443.481 4.313 5 20 IIBD CCOc1cc(NC(=O)Cc2ccc(Br)c(F)c2)c([N+](=O)[O-])cc1OCC 508151255 PZOVNTQPSIZVTJ-UHFFFAOYSA-N 441.253 4.475 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N1CCCc2cc(F)cc(F)c21 508976181 HVBBXSCUKWQXMA-UHFFFAOYSA-N 444.175 4.071 5 20 IIBD C[C@H](O)[C@@H]1CCN(C(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C1 509413060 BFVJWKFGYHEJAD-OVGQPCSFSA-N 437.521 4.365 5 20 IIBD COc1ccc(-c2ccc(CN3CCC(CC(=O)N4CCCC4)CC3)o2)c([N+](=O)[O-])c1 510476650 YFFWBWRFOBOIMH-UHFFFAOYSA-N 427.501 4.088 5 20 IIBD O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 511832406 QDAHCBMGPWFACH-GOSISDBHSA-N 448.445 4.192 5 20 IIBD CNS(=O)(=O)c1ccc(C)c(NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)c1 512605016 UPAAMMWKZHFYGF-UHFFFAOYSA-N 445.472 4.355 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccccc2-c2nc[nH]n2)cc1[N+](=O)[O-])c1ccccn1 512886763 LLKRUJQHQOSCCR-AWEZNQCLSA-N 429.440 4.200 5 20 IIBD O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)CSc2ccccc2[N+](=O)[O-])CC1 513575684 ZBFZTAGVKXWGFC-UHFFFAOYSA-N 438.427 4.226 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 517857482 IGBXAWUOJCEGPR-OAQYLSRUSA-N 429.904 4.416 5 20 IIBD CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 518474021 YRVQYPXYGUAZES-AEFFLSMTSA-N 435.267 4.042 5 20 IIBD Cc1cc(C(=O)CSc2ncccc2[N+](=O)[O-])c(C)n1C[C@@H]1COc2ccccc2O1 518521935 SHGUICGUQPWBKB-MRXNPFEDSA-N 439.493 4.223 5 20 IIBD COCCN([C@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 519890959 XYIKJTXPJRJYDO-CQSZACIVSA-N 446.447 4.153 5 20 IIBD CCN1C(=O)c2ccccc2N[C@@H]1c1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] 520060519 VYWFUWUGHWJDJN-KRWDZBQOSA-N 425.363 4.131 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cccc(C)c1C(=O)NCCc1ccccc1 521098006 FVKSMAPWIKMNTD-UHFFFAOYSA-N 446.507 4.235 5 20 IIBD O=C(NCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Br)cc1 521817136 XRGAQUPVFUYARJ-UHFFFAOYSA-N 444.285 4.137 5 20 IIBD COc1cc(C(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)ccc1[N+](=O)[O-] 521835518 LUCZPNYTUKEKOF-UHFFFAOYSA-N 426.816 4.156 5 20 IIBD CCn1cc(CN(C)C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)cn1 522240599 XYRGRWJJDNZTIM-UHFFFAOYSA-N 438.509 4.036 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)Nc1ccccc1CN1CCSCC1 524831764 GHKUNKSILNHZPB-UHFFFAOYSA-N 428.558 4.288 5 20 IIBD COc1cc(CN(C)C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c(SC)cc1OC 524952190 UTLLDMQHDSNABH-ZDUSSCGKSA-N 436.555 4.473 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cc(Cl)cc([N+](=O)[O-])c1 525583323 SSLFJSIJRBVLGJ-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD COc1cc(C(=O)N2CCC[C@H]([C@@H](C)O)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 533474011 PIFHJZILLSQWJZ-HIFRSBDPSA-N 434.876 4.282 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(C[S@](=O)Cc3nnc(-c4ccccc4Cl)o3)co2)cc1 534796443 KAWVBSKJALIXGH-PMERELPUSA-N 444.856 4.402 5 20 IIBD COC(=O)[C@@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(Br)cc1 534845044 XUXIOQGOEPSVJG-KRWDZBQOSA-N 446.257 4.016 5 20 IIBD COc1ccccc1COC1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 535816665 ZFVASPSPGINKCV-UHFFFAOYSA-N 438.402 4.444 5 20 IIBD C[C@@H](CCc1ccccc1[N+](=O)[O-])NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 536851693 MNGYSMUBIAUEAE-NSHDSACASA-N 427.814 4.421 5 20 IIBD CCOc1cccc2cc([C@H](C)NCCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)oc12 544484613 PVTMETIFAZIUJP-AWEZNQCLSA-N 427.457 4.428 5 20 IIBD CC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1OCC(=O)N1CCCC1 544623630 JHBRTUBLUUYLPG-SFHVURJKSA-N 444.463 4.008 5 20 IIBD COCCN([C@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 546879182 LIRAXMRQOSKGMQ-CYBMUJFWSA-N 432.420 4.012 5 20 IIBD COc1cc(Cc2noc(-c3cc(NC(=O)C(C)(C)C)ccc3F)n2)ccc1[N+](=O)[O-] 547177269 QOEVSDAVOXPODO-UHFFFAOYSA-N 428.420 4.368 5 20 IIBD C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCCO2)CC12CCC2 549643686 MIOCFVWHYQLALF-XLIONFOSSA-N 425.533 4.439 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 551795158 IJZWJOZYZOJGFS-HXUWFJFHSA-N 447.894 4.094 5 20 IIBD O=C(c1cc(NCc2ccncc2OCc2ccccc2)ccc1[N+](=O)[O-])N1CCCC1 553244475 XAXHGAVOCOUVCO-UHFFFAOYSA-N 432.480 4.417 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](Cc2ccccc2)C(F)(F)F)cc1SC 558556814 WQJSAXDZXCVZTC-CYBMUJFWSA-N 428.432 4.476 5 20 IIBD COc1cc(OC)cc(C2(F)CCN([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)c1 558899814 YTZLDIJVWMECMK-MRXNPFEDSA-N 445.491 4.208 5 20 IIBD CSC1(CNc2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])CCN(C)CC1 562237079 RMRVJYDRDLUUOY-UHFFFAOYSA-N 428.558 4.395 5 20 IIBD COc1cc2c(cc1Cl)CN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])CC2 562888725 MVZDISFIBARFRW-UHFFFAOYSA-N 425.268 4.264 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 564244874 SCHVYPNYYGFNLC-UHFFFAOYSA-N 438.463 4.465 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](Cc3ccc(OC)cc3)C2)cc1OC 566594011 RKALSBXFBRKSFL-QGZVFWFLSA-N 428.485 4.106 5 20 IIBD Cc1ccccc1[C@@H]([C@H](C)Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)N(C)C 567410197 DITCTLCNYOBVEO-YCRPNKLZSA-N 441.919 4.206 5 20 IIBD CCc1c(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])nnn1Cc1ccc(F)cc1 571366288 XESATOUBFOUZMI-UHFFFAOYSA-N 449.895 4.320 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC1(Cc2ccc(F)cc2Cl)CCOCC1 574834982 BRLMXWKHGHIRLX-UHFFFAOYSA-N 445.878 4.250 5 20 IIBD O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC(n3cc(Br)cn3)CC2)c1 580418221 QHUATPLWJGPDOR-UHFFFAOYSA-N 433.228 4.410 5 20 IIBD O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc(Br)cn1 588832559 RBIOXDNAKHBZSB-KRWDZBQOSA-N 431.290 4.304 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1noc(-c2cccnc2OCc2ccccc2F)n1 589124295 PHRYKPOWZMJNRZ-UHFFFAOYSA-N 435.415 4.413 5 20 IIBD Cc1c(NC(=O)[C@@H](C)Sc2nc3cc(Br)cnc3[nH]2)cccc1[N+](=O)[O-] 596044321 ATAKANOHUKDSLJ-SECBINFHSA-N 436.291 4.056 5 20 IIBD COC(=O)C[C@@H](C)NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 601917380 SSGRAZFQZFAILP-LLVKDONJSA-N 442.415 4.446 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 603501300 FSRXJELZLDMKDF-UHFFFAOYSA-N 429.432 4.260 5 20 IIBD C[C@H]1CN(Cc2ccccc2CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@@H](C)O1 603770110 UQCQXFXKLAZJRX-IYBDPMFKSA-N 439.537 4.349 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccnn2[C@H]2CCCc3ccccc32)cc1OC 604454156 ZNMRXPPVYFSQIF-SFHVURJKSA-N 436.468 4.377 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl 608927832 JTBOOWKVTIITND-UHFFFAOYSA-N 441.296 4.256 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCO[C@@H](c4cccc(F)c4)C3)cc2[N+](=O)[O-])CC1 608965371 WVZDLCKIDOLROB-JOCHJYFZSA-N 427.476 4.184 5 20 IIBD COC(=O)CC[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 609263457 WYJCNCOWDLVZFJ-QGZVFWFLSA-N 425.466 4.143 5 20 IIBD O=C(Nc1nnc(SCc2cccs2)s1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609490597 JUJSDVDRCXFQAH-UHFFFAOYSA-N 445.507 4.306 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 610500452 MALHFTZZMHKIMV-GHMZBOCLSA-N 448.385 4.399 5 20 IIBD COC(=O)c1cc(C(=O)N2CCC[C@H]2c2ccccc2Br)cc([N+](=O)[O-])c1 610672464 JFFOLJHTLPYPEI-KRWDZBQOSA-N 433.258 4.121 5 20 IIBD COc1cc(CN[C@@H]2CCO[C@@]3(CCSC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 610889993 IRZNPLDIGCEANR-XXBNENTESA-N 444.553 4.327 5 20 IIBD COc1cc(CNc2ccc3c(c2)CCCC(=O)N3)c([N+](=O)[O-])cc1OCC(F)(F)F 610910929 QMEMNBFIIMTOAX-UHFFFAOYSA-N 439.390 4.431 5 20 IIBD C[C@@H](C(=O)N1CCN([C@H](C)c2nc3ccccc3s2)CC1)c1ccc([N+](=O)[O-])cc1F 612444751 FFHJSMBGAFIODG-HUUCEWRRSA-N 442.516 4.353 5 20 IIBD CN(Cc1ccc(C(=O)NC2CC2)cc1)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 613179522 YMILZDZPUYTYGO-UHFFFAOYSA-N 432.480 4.097 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccc(Br)cc1 725985509 LHZYUCYZGAUHMZ-UHFFFAOYSA-N 443.047 4.160 5 20 IIBD COc1ccc([C@@H](C)NCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1Br 727368348 SLUJHBKBDHTXII-SNVBAGLBSA-N 442.697 4.309 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N(Cc1ccc2c(c1)OCO2)C1CCCCC1 728242507 UWZYFEWGKJXNQU-UHFFFAOYSA-N 436.468 4.035 5 20 IIBD O=Cc1c(OS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])ccc2ccccc12 728574597 DZEUSNTZUHMDIJ-UHFFFAOYSA-N 436.239 4.091 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc2c(ccn2CCN2CCOCC2)c1 733614836 LREAUSOAOILITB-UHFFFAOYSA-N 443.891 4.179 5 20 IIBD Cc1ccc(OCc2cccc(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)c2)cn1 734056736 DDYHJAXMIPNMQY-UHFFFAOYSA-N 436.420 4.101 5 20 IIBD O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1nn(-c2ccc(F)cc2)c2c1CCC2 735442963 MVHCYAXEAOLFLR-UHFFFAOYSA-N 448.410 4.420 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)c(Cl)c1 740786549 PZKYLKFALAFUNT-UHFFFAOYSA-N 435.864 4.404 5 20 IIBD CC(C)(C)OC(=O)NC1(CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CCCCC1 742399586 SVIQKZRWVHQMBL-UHFFFAOYSA-N 434.493 4.191 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1NC(=O)c1ccncc1 742400649 HJVPPPCJXSHFDV-UHFFFAOYSA-N 445.479 4.403 5 20 IIBD O=C1[C@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)CCCN1c1ccc(OC(F)F)cc1 742418492 SCELRZWZUBCSQC-OAHLLOKOSA-N 434.424 4.413 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)C2(Cc3cccc(Cl)c3)CCCC2)ccc1[N+](=O)[O-] 744151157 HXBFULDOABPXGV-UHFFFAOYSA-N 436.917 4.165 5 20 IIBD C[C@@H](OC(=O)c1c(N)cccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 745005719 HOBAUGUSZMNRCA-MRVPVSSYSA-N 431.754 4.033 5 20 IIBD COc1ccc2cc([C@@H](C)OC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)ccc2c1 745982763 FNOVKILGBMMXBL-CYBMUJFWSA-N 429.450 4.078 5 20 IIBD COC(=O)c1cc(S(=O)(=O)Oc2cc(Cl)ccc2[N+](=O)[O-])c(Cl)cc1Cl 747255966 YSWVDHFSAOCEGU-UHFFFAOYSA-N 440.644 4.109 5 20 IIBD Cc1ccccc1CN(C)C(=O)[C@@H](C)OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 747962751 SXAYBSRZUKFXSO-OAHLLOKOSA-N 439.493 4.231 5 20 IIBD COc1ccc(CN(CC(F)(F)F)C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1 748612794 NBSIWLZAPFPBGT-UHFFFAOYSA-N 441.362 4.333 5 20 IIBD CCOC(=O)Cc1cccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)c1 750887693 VXYHCFKUBVGLQG-UHFFFAOYSA-N 441.665 4.369 5 20 IIBD CC(C)(C)OC(=O)N(CC1CC1)C1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 751051769 WEKJTFAUAGWSKX-FLIBITNWSA-N 429.517 4.246 5 20 IIBD CN(Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 751381763 ZQQMGBWJMAKDJC-UHFFFAOYSA-N 439.409 4.489 5 20 IIBD O=Cc1cccc(OCc2ccccc2C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)c1 751663353 SMTKAZFDGKQCEG-UHFFFAOYSA-N 432.388 4.485 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NC[C@@H]3CSCCS3)cc2[N+](=O)[O-])n1 753072320 PLTNQLXCTWTXSP-GFCCVEGCSA-N 427.598 4.089 5 20 IIBD Cc1cc(C)cc(OCc2noc(COC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)n2)c1 754265734 SWLSJECCVONTKT-UHFFFAOYSA-N 425.441 4.195 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(-c2ccccn2)ccc1Cl 755001414 XZMIYSCDUZKLKV-UHFFFAOYSA-N 425.828 4.414 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(Cc1ccc(F)cc1)C1CCOCC1 755184520 NYYPXDIHBWODKY-UHFFFAOYSA-N 442.896 4.066 5 20 IIBD COc1cc(CNCc2cc([N+](=O)[O-])ccc2Cl)c([N+](=O)[O-])cc1OCC(F)(F)F 756900641 UEEFJKMVBLQYFB-UHFFFAOYSA-N 449.769 4.396 5 20 IIBD Cc1c(NC(=O)[C@H](C)ONC(=N)COc2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-] 756912836 GSYVCYANUWXHIM-NSHDSACASA-N 441.271 4.114 5 20 IIBD Cc1ccc([C@@H]2C[C@H](OC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)CCO2)cc1 757516964 XWBJNWSUTNFHME-QUCCMNQESA-N 440.452 4.055 5 20 IIBD CC(C)Cn1ncc(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1C(F)F 758836547 CNVAASPNWQLZQS-SNVBAGLBSA-N 444.822 4.222 5 20 IIBD CN1C(=O)C[C@H](COC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]1c1cccc(Cl)c1 759367204 XSMLRDNGOYHGMJ-QRQCRPRQSA-N 441.871 4.035 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2 760212677 YICWQJBYXXOOPJ-CPGHMSBTSA-N 428.435 4.013 5 20 IIBD O=C(NCc1nc(-c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)no1)OCC(F)(F)F 762309838 VWIQFKBASOGLIP-UHFFFAOYSA-N 438.318 4.226 5 20 IIBD C[C@@H](Sc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C)C(=O)Nc1ccc2ccccc2c1 762484422 MITIJNWJZNHUSK-CYBMUJFWSA-N 434.477 4.114 5 20 IIBD Cc1nn(CN(C2CC2)C2CCN(C(=O)OC(C)(C)C)CC2)c2ccc([N+](=O)[O-])cc12 764960975 GBVWIADJRKRLOM-UHFFFAOYSA-N 429.521 4.074 5 20 IIBD CN(C[C@H]1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1)C(=O)OC(C)(C)C 765029762 GOENNRSEIZPAST-GOSISDBHSA-N 442.516 4.262 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)cc1[N+](=O)[O-] 765746470 YIOMHRVMRBNNDY-IBGZPJMESA-N 435.864 4.159 5 20 IIBD COc1ccccc1[C@@H](OC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccccc1 766516178 HCRXTJRTMYRUMS-QFIPXVFZSA-N 430.420 4.131 5 20 IIBD C[C@H]1CCC[C@@H](OCCCCCC(=O)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 766626627 UTJYDHZCXVEMKM-LSDHHAIUSA-N 446.953 4.209 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2cccc(CSCC(=O)O)c2)CC1 767155652 TYQVAUOHXOKAHV-UHFFFAOYSA-N 443.525 4.401 5 20 IIBD Cc1ccc(-c2n[nH]c(C)n2)c(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)c1 767928901 URHZLHIMAXUYJQ-UHFFFAOYSA-N 440.510 4.337 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 770010845 XHCPFWWHSIDVDU-UHFFFAOYSA-N 437.283 4.282 5 20 IIBD CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 771378440 ARKTXGIPUGSEMX-FVMDXXJSSA-N 429.217 4.142 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)C[C@H]1CSCCN1C(=O)OC(C)(C)C 772143878 VQTPHONPKAVVDC-LBPRGKRZSA-N 429.926 4.238 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC1(c2cccc(OC(F)(F)F)c2)CCOCC1 772794546 QVTZWGIAOYVYLK-TWGQIWQCSA-N 436.386 4.329 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)Nc2sc(-c3ccccc3)nc2C)cc1[N+](=O)[O-] 777648768 DCZLRQYLPZSWDX-UHFFFAOYSA-N 448.482 4.006 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 779568867 ABTJCFGOUHWVQK-OCUNKTDNSA-N 446.507 4.070 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc2nc(-c3ccccn3)[nH]c2c1 781649898 AOLJQQPUAYDHQK-UHFFFAOYSA-N 432.396 4.013 5 20 IIBD CN(C(=O)COC(=O)c1cccc([N+](=O)[O-])c1Br)[C@@H]1CCCc2ccccc21 781678185 ORLFCJIJHMVQPA-MRXNPFEDSA-N 447.285 4.050 5 20 IIBD CC(C)c1nc([C@H]2CCCCCN2C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])no1 781849355 FUCQEDSTAHICLW-MRXNPFEDSA-N 431.449 4.086 5 20 IIBD Cc1cccc(CN(Cc2ccccn2)C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c1 781965099 IHOFJCACMQRASD-QHCPKHFHSA-N 430.464 4.020 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@H](c1ccc(Cl)cc1F)C(C)C 782091233 OUIKCAQHUOHXEA-FQEVSTJZSA-N 438.839 4.101 5 20 IIBD COc1ccc([C@H]2CCCN2C(=O)c2cccc([N+](=O)[O-])c2Br)c(OC)c1 782164363 RUTGEALJUMFDQT-OAHLLOKOSA-N 435.274 4.352 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 783019878 JDVAKYGVSHYGDE-ROUUACIJSA-N 434.537 4.351 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 783304006 QGWLVMSBPNSBRZ-UHFFFAOYSA-N 441.793 4.397 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)C[C@@H]21 784028029 AVLDZYXQCWPLDD-JRGCBEDISA-N 441.532 4.041 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C[C@H]21 784561086 PBDCYHROIGCYKG-IAOVAPTHSA-N 429.473 4.106 5 20 IIBD Cc1ccc(NCc2c(Br)cccc2[N+](=O)[O-])cc1-c1nnnn1C1CC1 784674443 FLONEIGANQKKLV-UHFFFAOYSA-N 429.278 4.266 5 20 IIBD CC(=O)c1cc(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)ccc1C 789899994 GEMOOTJWYKRLEU-FQEVSTJZSA-N 438.480 4.348 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC(O)(c2ccccc2Cl)CC1 790963492 AYRVMQDJORFERI-UHFFFAOYSA-N 427.259 4.093 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(NC(=O)c2cccs2)c1 791537649 HTONGNGYGSKCFK-UHFFFAOYSA-N 427.394 4.174 5 20 IIBD Cc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1NC(=O)NC(C)(C)C 791938480 LGRQRSQSHJPJSI-UHFFFAOYSA-N 430.417 4.088 5 20 IIBD CN(C)c1cccc(CCC(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 792034266 DBBSMTKDCLWHCM-UHFFFAOYSA-N 433.464 4.451 5 20 IIBD COc1c(C)cc(CN(C)C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1C 792973184 SACZXBZGKOSLFY-UHFFFAOYSA-N 427.501 4.115 5 20 IIBD Cc1ccccc1[C@H]1CCN(CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 795422429 LTDJANMUJNPHNY-AWEZNQCLSA-N 430.302 4.069 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN(C)CCc2ccccc2[N+](=O)[O-])c1=S 795645721 WWKQVKONDBSHFX-UHFFFAOYSA-N 442.501 4.049 5 20 IIBD CCOc1cc(NC(=O)N2CCC(C)=C(Br)C2)c([N+](=O)[O-])cc1OCC 797610609 DXYRALOCYBDDMA-UHFFFAOYSA-N 428.283 4.299 5 20 IIBD O=C(c1c[nH]c2c(Cl)cc(Br)cc2c1=O)N1CCc2c1cccc2[N+](=O)[O-] 798295134 VPUKGMZGCBEMMH-UHFFFAOYSA-N 448.660 4.055 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 799235421 YTMWAKONZMLXEL-OAHLLOKOSA-N 436.509 4.104 5 20 IIBD COc1ccc(C)cc1NC(=O)c1cc([N+](=O)[O-])cc(I)c1C 800796478 PHBOUUKTLDSQRF-UHFFFAOYSA-N 426.210 4.077 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)OC[C@@H]2CCCSC2)cc1[N+](=O)[O-] 806044836 NECSDVXTRURPMC-HNNXBMFYSA-N 428.510 4.192 5 20 IIBD CCN(C)C(=O)CSc1ccc([C@H](C)OC(=O)c2cc(OC)ccc2[N+](=O)[O-])cc1 809074748 KSPLXDLRIGHHEN-AWEZNQCLSA-N 432.498 4.092 5 20 IIBD Cc1cc(OC(C)C)ccc1NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810393770 SFOBQQMASPZLMC-UHFFFAOYSA-N 436.262 4.030 5 20 IIBD COc1cc(C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc(OC)c1OC 811220012 DBIQUXOANMYRFJ-UHFFFAOYSA-N 430.438 4.101 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 812133331 HZUHTCQTJMZNJL-BDTNDASRSA-N 433.512 4.272 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)C1 814261698 DHDNSCSFTUMLEZ-UHFFFAOYSA-N 427.448 4.424 5 20 IIBD CCN(C(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccccc1 823259060 JRNRFNIUEZSVPD-QGZVFWFLSA-N 425.485 4.184 5 20 IIBD O=C(COC(=O)CCc1cccc(Br)c1)Nc1cc(Cl)ccc1[N+](=O)[O-] 849208834 CEWARYNDQOEURK-UHFFFAOYSA-N 441.665 4.125 5 20 IIBD O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 915864926 JMRPCVGOOKKBGY-UHFFFAOYSA-N 438.362 4.282 5 20 IIBD COc1cc(C(=O)Oc2ccc(NC(=O)c3ccco3)cc2)c([N+](=O)[O-])cc1OC(F)F 916956628 KDMYKIHYKLYMFQ-UHFFFAOYSA-N 448.334 4.269 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NCc2ccccc2CN2CCC[C@H](C)C2)c1[N+](=O)[O-] 917073031 ZYBRXBXMLDQCMP-HNNXBMFYSA-N 428.489 4.148 5 20 IIBD CCOc1ccc([C@H](NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])c2ccccc2)cc1 917177912 XJTUBCIOYOONMB-XMMPIXPASA-N 434.448 4.091 5 20 IIBD O=C(NCc1ccc(-c2ccccc2)o1)c1cc([N+](=O)[O-])ccc1I 917788161 MNWONZGKNCVZLS-UHFFFAOYSA-N 448.216 4.389 5 20 IIBD CCc1ncc(C(=O)O[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)s1 920900377 OOSYLLUJZSXHBD-IBGZPJMESA-N 425.466 4.459 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](c2ccc(Cl)s2)C1 1253838621 LHIRVVHSHFAWOW-AWEZNQCLSA-N 442.946 4.262 5 20 IIBD Cc1ccc(CN2CCCN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CC2)cc1 1255344740 OBBUIWDLKYUYAT-UHFFFAOYSA-N 425.532 4.338 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(F)cc1NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 1320823672 YUGCVUNZYZZOJD-SFHVURJKSA-N 444.419 4.213 5 20 IIBD C[C@@H](OC(=O)c1cc2c(OC(F)(F)F)cccc2[nH]1)C(=O)Nc1cccc([N+](=O)[O-])c1 1321928743 HQLSZMFYOFDHCY-SNVBAGLBSA-N 437.330 4.159 5 20 IIBD O=C1Nc2ccccc2[C@@H]1C1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 1325686294 WTMCJDIEMIBHHH-FQEVSTJZSA-N 448.504 4.306 5 20 IIBD Cc1ccc(-n2nc(-c3nnc(COc4ccccc4[N+](=O)[O-])o3)c3c2CCC3)c(F)c1 1341397017 IGPMFFWDJHIVGM-UHFFFAOYSA-N 435.415 4.346 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])NC1(c2ccc(NC(=O)[C@H]3CC3(F)F)cc2)CCC1 1789137537 IUNKWKLLIDPZQH-PMQIGOLDSA-N 441.434 4.397 5 20 IIBD O=C(CCc1ccc[nH]1)NC1(c2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc2)CCC1 1790755058 RRSWHVNNDJBMOM-UHFFFAOYSA-N 448.479 4.009 5 20 IIBD CC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CSc2ccccc2[N+](=O)[O-])CCCCC1 1802185799 LFXCZPAOZYMIFU-BCDXTJNWSA-N 445.585 4.296 5 20 IIBD CCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])[nH]n1 1821940376 YEGCHEKJFRMESE-JXOMPUQVSA-N 439.516 4.460 5 20 IIBD Cc1ccccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823613642 HFZSXYIDGPQLOX-IBGZPJMESA-N 425.485 4.043 5 20 IIBD CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])CC2)CCC1 1823711734 NEFHQMIIYHYFGG-ZJVMWOEPSA-N 439.556 4.418 5 20 IIBD Cc1cccc(C(=O)N2CCCC23CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)C3)c1F 1841148928 WHDFHSJSZPRZCC-UHFFFAOYSA-N 445.878 4.135 5 20 IIBD C[C@@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Br)cc1 9352357 CRAUVXPPEIJJOB-LLVKDONJSA-N 439.287 4.020 5 20 IIBD O=c1c2c3n(c(SCc4cccc([N+](=O)[O-])c4)nc-2nn1-c1ccccc1)CCCCC3 9965583 JUUDJJRBYJNMEN-UHFFFAOYSA-N 447.520 4.461 5 20 IIBD C[C@H](c1ccccc1)N(C)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 15539317 NLJBSRYYRVDCAM-MRXNPFEDSA-N 439.493 4.229 5 20 IIBD C[C@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 17893086 QZAZEMPUIYYNBO-NSHDSACASA-N 444.904 4.356 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 18172945 OCZHREQVQLGDTD-UHFFFAOYSA-N 429.786 4.016 5 20 IIBD COc1ccc(-c2csc(NC(=O)c3cc(OC)c(OC)cc3[N+](=O)[O-])n2)cc1F 18706757 ZQAZFGDAAYTWGP-UHFFFAOYSA-N 433.417 4.136 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)Cc2csc(C)n2)c2ccccc2)c([N+](=O)[O-])c1 22619200 GWPYQPHRBRUKLV-HXUWFJFHSA-N 425.466 4.134 5 20 IIBD C[C@H](Oc1cccc(Cl)c1)C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 24979954 YQFQKJHLSJKEAU-MNOVXSKESA-N 427.240 4.239 5 20 IIBD COC(=O)c1cc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1F 27189245 WICUAIDVDYTZCE-UHFFFAOYSA-N 432.351 4.270 5 20 IIBD CCCNC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 59774885 SQPPNJCMJHLNSH-UHFFFAOYSA-N 430.892 4.241 5 20 IIBD Cc1c(C(=O)NCC2(c3cccc(Br)c3)CCOCC2)cccc1[N+](=O)[O-] 59785531 MRFZMPXEHDUGRB-UHFFFAOYSA-N 433.302 4.144 5 20 IIBD COC(=O)c1cc(C(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)cc([N+](=O)[O-])c1 60390638 SSHDAOVGLBYNEQ-UHFFFAOYSA-N 427.438 4.074 5 20 IIBD CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 64868721 DSQPGKFDNIAUBU-UHFFFAOYSA-N 437.886 4.028 5 20 IIBD Cc1cc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)n(-c2ccc([N+](=O)[O-])cc2)n1 105529328 CYZIZKWUYTVGSX-ZDUSSCGKSA-N 427.442 4.116 5 20 IIBD CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 108102879 BSOKLZZEHBGMPM-UHFFFAOYSA-N 449.389 4.124 5 20 IIBD COc1cc(CNCc2coc(-c3ccccc3)n2)c([N+](=O)[O-])cc1OCC(F)(F)F 237298261 RDDUBQAQRJBOSN-UHFFFAOYSA-N 437.374 4.489 5 20 IIBD O=C([C@H]1C[C@]12CCc1cc(Br)ccc12)N1CCc2ccc([N+](=O)[O-])cc2C1 409796934 LIIDOKJJDHFODM-CTNGQTDRSA-N 427.298 4.146 5 20 IIBD CC[C@H](Cc1ccccc1)N(C)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C 430318153 KAVRVRIJQHLIOC-MRXNPFEDSA-N 448.317 4.084 5 20 IIBD Cc1csc(N2CCC(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3C)CC2)n1 431225726 PELAOUXRPYEEAS-UHFFFAOYSA-N 439.335 4.286 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N(CCc1ccccn1)Cc1cccnc1 431299806 XIGVXMDXTXZXFU-UHFFFAOYSA-N 445.504 4.393 5 20 IIBD O=C(O)CN(C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C1CC1 431451683 KARQNYOXEZKVJQ-RVDMUPIBSA-N 437.477 4.211 5 20 IIBD O=C(NCC1CCN(Cc2cccs2)CC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 436253222 LQSGPSBKCPOMLW-UHFFFAOYSA-N 431.561 4.385 5 20 IIBD C[S@@](=O)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CCC1 438127789 DXPBUALYBBMFKS-MUUNZHRXSA-N 438.958 4.430 5 20 IIBD COc1ccc([C@@H](C)N(C)S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1 439248419 QJNIJIKOJCOHAM-GFCCVEGCSA-N 443.319 4.056 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(F)c(-c2nc[nH]n2)c1 439272389 KSNNZCNNJSMBES-UHFFFAOYSA-N 441.366 4.269 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)N(CCc1ccccc1)C1CCCC1 439358055 MTVRPWJUVATATK-UHFFFAOYSA-N 447.438 4.149 5 20 IIBD Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 439690507 FPMHMEZSBSPHKB-UHFFFAOYSA-N 430.892 4.061 5 20 IIBD CN(Cc1ccccc1)C(=O)CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] 440671251 BGQDCWXRBLBCFZ-UHFFFAOYSA-N 435.505 4.134 5 20 IIBD Cn1cc(CCNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c2ccc(F)cc21 444333475 YUSMSWAAHPLXBK-UHFFFAOYSA-N 431.442 4.424 5 20 IIBD CCOc1cc(-c2noc(-c3ccn(-c4cccc([N+](=O)[O-])c4)n3)n2)cc(Cl)c1O 445416402 GEADLSXXHIRFFA-UHFFFAOYSA-N 427.804 4.255 5 20 IIBD CC(C)(c1noc(CCNC(=O)c2ccc([N+](=O)[O-])cc2)n1)c1ccc(Cl)cc1F 445594551 USXHXDCAWHQTBL-UHFFFAOYSA-N 432.839 4.069 5 20 IIBD COCCOc1c(Cl)cccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 445922940 FCFZUNWLZKWDIK-UHFFFAOYSA-N 443.681 4.217 5 20 IIBD Cc1cccc(-c2nc3ccc(F)cc3n2C(C)C)c1NC(=O)Cn1ccc([N+](=O)[O-])n1 460334133 JKLXJFHAMWPEQI-UHFFFAOYSA-N 436.447 4.475 5 20 IIBD C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCCO2)[C@@H]2CCCC[C@H]12 461882974 XLDUBDIDAJVTEM-UMSONDCASA-N 425.533 4.437 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)N1CC[C@@H](CC(C)C)C1 465309491 YCLJGLMELADDTN-KRWDZBQOSA-N 445.541 4.212 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1cccc(CS(=O)(=O)c2ccccc2)c1 466264307 CTDOVTCUFCPSRD-UHFFFAOYSA-N 444.896 4.152 5 20 IIBD COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c1)CCO2 466508360 FIYPJQQOGVNYQX-YWZLYKJASA-N 448.479 4.425 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(CSC2CCCCC2)c1 467980696 COLMCXSOHWLNTE-UHFFFAOYSA-N 441.553 4.458 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@@H]3CCCC[C@H]3n3cccn3)cc2[N+](=O)[O-])C1 470655560 IWNSNKKDTQRKKJ-PIKOESSRSA-N 425.533 4.187 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)C(=O)Nc1ccsc1 475768105 HASNSFPHNMKEFD-UHFFFAOYSA-N 449.847 4.496 5 20 IIBD COc1cc(OCC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccco2)ccc1[N+](=O)[O-] 475881103 MVVLXIMFQXOHDI-HXUWFJFHSA-N 435.436 4.262 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3cccc(-c4ccccn4)c3C)CC2)ccc1[N+](=O)[O-] 477374561 QAABFKFTBMBUMV-UHFFFAOYSA-N 446.507 4.326 5 20 IIBD O=C(N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1c[nH]c2cc([N+](=O)[O-])ccc12 478465922 CQBGRAQRGOTULC-MRXNPFEDSA-N 427.766 4.212 5 20 IIBD CCc1c(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cnn1-c1ccc(C(F)(F)F)cc1 481855351 CXUWOXURSQNFCE-UHFFFAOYSA-N 436.394 4.461 5 20 IIBD COC(=O)CCn1c(S[C@@H](C)c2cc([N+](=O)[O-])ccc2C)nc2ccccc2c1=O 484670648 PXYISXGHXWFDOG-AWEZNQCLSA-N 427.482 4.030 5 20 IIBD CCc1c(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cnn1-c1ccccc1C 485335384 FKBSMQLMTIAYKA-UHFFFAOYSA-N 434.500 4.005 5 20 IIBD COC(=O)c1cc(NC(=O)c2csc(-c3ccc(F)c(F)c3)n2)c(C)c([N+](=O)[O-])c1 485975115 GHJOPWSASAZFPD-UHFFFAOYSA-N 433.392 4.344 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1ccc(Br)cc1Cl 486054032 UUHMGSCKRGUJLA-UHFFFAOYSA-N 428.670 4.460 5 20 IIBD Cc1c(CC(=O)NCc2ccc(Cl)cc2I)cccc1[N+](=O)[O-] 486888883 XXUDMPFRVFGBGR-UHFFFAOYSA-N 444.656 4.020 5 20 IIBD COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 488448477 ZWEIEIZDPBZLDO-UHFFFAOYSA-N 440.905 4.374 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)N2CCCC2)ccc1OC 488696688 OBTKPEBBPGXOPL-UHFFFAOYSA-N 429.498 4.204 5 20 IIBD Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 488912266 RAKQHVPYLLHTMG-QGZVFWFLSA-N 426.521 4.348 5 20 IIBD Cc1sc(CCNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)nc1-c1ccccc1 489577001 KONYVKHXPZMEMF-UHFFFAOYSA-N 433.493 4.185 5 20 IIBD C[C@@H](NS(=O)(=O)c1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 490998724 QQIBHNJXLWHTHM-COJSNBRMSA-N 449.554 4.012 5 20 IIBD O=C(Nc1ccc2nccnc2c1Br)N(Cc1ccccc1[N+](=O)[O-])C1CC1 491284278 NWSDWUKWPJUDLS-UHFFFAOYSA-N 442.273 4.497 5 20 IIBD C[C@H](NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1cc(F)c(Cl)cc1Cl 494236672 FQDQXAQAGWZWQK-JTQLQIEISA-N 430.267 4.345 5 20 IIBD C[C@H](CC(=O)c1cccs1)NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 496503008 HIPJDIIJBUBOCX-LLVKDONJSA-N 429.420 4.255 5 20 IIBD Cc1ccc(-c2nc(CCNC(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])co2)cc1 497685981 HORSABSBPLPXBZ-UHFFFAOYSA-N 428.876 4.296 5 20 IIBD CCOc1ccc(C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)cc1[N+](=O)[O-] 499681611 QZTHNLALHVZBJK-UHFFFAOYSA-N 431.448 4.449 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCOc1cccc(C(F)(F)F)c1 501868617 CMWAVHZJEYBFAA-UHFFFAOYSA-N 440.421 4.369 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(NCc3ccc(NC(=O)c4ccc(F)cc4)cc3)cc2N1 502310946 RGELTGYIOJAVKD-UHFFFAOYSA-N 434.427 4.483 5 20 IIBD O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 503325431 NFROKGSOMUKOAF-UHFFFAOYSA-N 436.443 4.451 5 20 IIBD COc1cc(CCNC(=O)N[C@@H](C)c2cc3ccccc3s2)c([N+](=O)[O-])cc1OC 504428656 FQRGVFPYNATXCA-ZDUSSCGKSA-N 429.498 4.430 5 20 IIBD Cc1c(C(=O)N[C@H](C)c2ccc(SC(C)C)cc2)nnn1-c1cccc([N+](=O)[O-])c1 504739681 DMSXSXQIWNGZCK-CQSZACIVSA-N 425.514 4.475 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(F)cc1OCC(F)(F)F 505271502 DAPPXGWEXRAKER-UHFFFAOYSA-N 428.747 4.129 5 20 IIBD COc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C(F)(F)F)cc1 505395663 LHLKPLVLGCUNSR-AWEZNQCLSA-N 433.180 4.399 5 20 IIBD O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 506724958 FMGGWVGKUIHQNL-UHFFFAOYSA-N 449.463 4.434 5 20 IIBD O=[N+]([O-])c1cc(CN[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)c2c(c1)COCO2 510402597 RBEGDQGNVXJLAI-INIZCTEOSA-N 434.317 4.456 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@H](c1cccc2ccccc12)C(F)(F)F 511723046 YBTXVVWKHGAARR-HXUWFJFHSA-N 445.397 4.288 5 20 IIBD O=C(NC1CC1)c1ccc(NC[C@@H](c2cccc(Cl)c2)N2CCCC2)c([N+](=O)[O-])c1 513183273 HYEPMUCEIBSVNO-NRFANRHFSA-N 428.920 4.389 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 514996405 YEANVJKZMCFMTF-MRXNPFEDSA-N 438.267 4.154 5 20 IIBD O=C(Nc1ncccc1C(=O)c1ccc(F)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 517466932 FLNIYNDRAQEOLA-UHFFFAOYSA-N 434.427 4.212 5 20 IIBD CCCN1CCC(N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccccc2)CC1 518633889 HIWBJYRHAHIZMR-UHFFFAOYSA-N 434.544 4.212 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 518793391 JSYSZTUIVXPHDA-UHFFFAOYSA-N 443.456 4.201 5 20 IIBD C[C@@H]1CCCCN1Cc1ccc(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1 520057404 UBQVAYAQDLCMPB-GOSISDBHSA-N 433.512 4.085 5 20 IIBD O=C(c1cc(NCCOc2ccc(Br)cc2)ccc1[N+](=O)[O-])N1CCCC1 520103205 SHWYVIUIHGHAFF-UHFFFAOYSA-N 434.290 4.084 5 20 IIBD Cc1c(NC(=O)[C@@H](C)Nc2ccc(OCC(F)(F)C(F)F)nc2)cccc1[N+](=O)[O-] 520635060 DDOKOMKHUDCNSU-LLVKDONJSA-N 430.358 4.017 5 20 IIBD O=C(Nc1ccc(OCc2ccccc2F)cc1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 521338521 QQADPMGPOOXJTF-UHFFFAOYSA-N 433.399 4.146 5 20 IIBD CN1C(=O)CC[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccc(C(F)(F)F)cc1 522334643 JWKPUUJUBFVVKA-XLIONFOSSA-N 447.413 4.112 5 20 IIBD CCN([C@@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC 522717237 QBURPLIAFWRFHP-LBPRGKRZSA-N 432.420 4.394 5 20 IIBD COc1ccc(-c2csc(NC(=O)c3cc(OC)c(OC)c([N+](=O)[O-])c3)n2)cc1F 525750733 OZUOOBPMMREQPA-UHFFFAOYSA-N 433.417 4.136 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H]1CCOc2ccc(F)cc21 527334003 OGECDMYQBVHFNE-CYBMUJFWSA-N 430.379 4.485 5 20 IIBD CSc1nnc(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)s1 527365232 LMLBQYHHHPBSDN-UHFFFAOYSA-N 449.945 4.364 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(OC)cc(F)cc2s1 534275203 TXWGKRQVAXTWCC-UHFFFAOYSA-N 437.474 4.343 5 20 IIBD CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 534984863 KQXGNOUGJCYIPW-UHFFFAOYSA-N 434.374 4.196 5 20 IIBD C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1cc(I)cc([N+](=O)[O-])c1 535742486 QVEDFDPBRCUGKA-YVEFUNNKSA-N 436.249 4.218 5 20 IIBD CCCCN1C(=O)CC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)[C@@H]1c1ccccc1OC 536196382 GGHJFILFXLADGB-JTSKRJEESA-N 441.484 4.028 5 20 IIBD CC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1cc(F)ccc1F 537140708 RJSUVADUASJCAS-OAHLLOKOSA-N 428.233 4.315 5 20 IIBD Cn1cc(CNCCCNc2ccc(C(F)(F)F)cn2)c(-c2ccc([N+](=O)[O-])cc2)n1 539447400 XTUBUJVNGHVKNS-UHFFFAOYSA-N 434.422 4.001 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCC(C)(C)CCCO)cc1[N+](=O)[O-] 540124871 HCEZUTKCSAIORW-UHFFFAOYSA-N 430.526 4.076 5 20 IIBD COc1cc(OCc2nc(Cc3cc(Br)ccc3F)no2)ccc1[N+](=O)[O-] 546280363 WRJBGGBFHNBUIL-UHFFFAOYSA-N 438.209 4.058 5 20 IIBD CCN([C@H](c1cccnc1)c1ccc(F)c(F)c1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] 546776283 QYGNPDWKZDYWGI-NRFANRHFSA-N 447.463 4.209 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(-c3nc(-c4ccccc4CN4CCOCC4)no3)cs2)c1 547005758 HTKSQPFIUOWKIG-UHFFFAOYSA-N 449.492 4.268 5 20 IIBD CCOC(=O)[C@H](Cc1ccccc1)N(C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 547984996 ALIQTLUQZURSLC-FQEVSTJZSA-N 425.510 4.325 5 20 IIBD O=[N+]([O-])c1ccc2nc(N3CCC(Nc4cccc(Br)c4)CC3)nc(O)c2c1 561328068 ZVTJBXDCHIQZCF-UHFFFAOYSA-N 444.289 4.087 5 20 IIBD CC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 561963542 KPIGPRWNXUWMOH-ACJLOTCBSA-N 427.448 4.355 5 20 IIBD CC(C)Sc1ccc([C@@H](C)NC(=O)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1 564647237 VFQFIXZISMNQRL-CQSZACIVSA-N 449.960 4.285 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1[N+](=O)[O-] 572653822 SFUGHJDPVQHQAV-PMACEKPBSA-N 443.475 4.006 5 20 IIBD O=C(Nc1cccc(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c1)c1cccs1 573489683 NXTNRJZNUQBHMW-UHFFFAOYSA-N 438.465 4.335 5 20 IIBD COc1ccc(CN2CC[C@H](N3CCCC3)[C@@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 575164046 SKDZYPDJFNLVDT-AVRDEDQJSA-N 425.529 4.241 5 20 IIBD CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 576483972 ZJZAOLNCBFXFRT-UHFFFAOYSA-N 435.933 4.388 5 20 IIBD CSc1cccc([C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])c2cc(F)ccc2F)c1 578988398 JUMWUGCQRWHNSC-QGZVFWFLSA-N 430.436 4.290 5 20 IIBD Cc1c(CNC(=O)NCCc2c[nH]c3cccc(Br)c23)cccc1[N+](=O)[O-] 581315632 LKZDZZIGRGHGJK-UHFFFAOYSA-N 431.290 4.189 5 20 IIBD CC[C@H]1CN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)CCO1 603553758 QTQOVCYLODNEQD-QFBILLFUSA-N 448.317 4.148 5 20 IIBD CCOc1ccc(CCNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)cc1OCC 603942416 MIDWSNIBPADKFI-UHFFFAOYSA-N 427.501 4.283 5 20 IIBD O=C(Nc1cc(Cl)ccc1N1CCSCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 604529040 VCGHBALDYFPNJT-UHFFFAOYSA-N 443.916 4.239 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCCC2CCN(C)CC2)cc1[N+](=O)[O-] 608853685 UFMAXSTYLWZUMM-UHFFFAOYSA-N 441.553 4.009 5 20 IIBD Cn1cc(C(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 608963434 RTDMBEYURCAKTJ-IBGZPJMESA-N 444.850 4.002 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 609789055 FJGYROLKPLLQOL-QGZVFWFLSA-N 439.493 4.370 5 20 IIBD COc1cc(CCNC(=O)[C@H](C)Cc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC 609986109 UPJFTYKKFDWQAM-CYBMUJFWSA-N 440.418 4.168 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1CCC[C@H](n2ccnc2)C1 610945230 UTVCDQWUFZDSIN-RXVVDRJESA-N 439.903 4.462 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(C[S@](=O)Cc3nc(-c4cccc(Cl)c4)no3)co2)cc1 611165489 DXMMRLTWHNBPSB-PMERELPUSA-N 444.856 4.402 5 20 IIBD Cc1csc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SC3CCCC3)CC2)n1 611200197 NGMAUATYNSBZCN-UHFFFAOYSA-N 432.571 4.357 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H]1COc2cc(F)cc(F)c21 612221728 SQZGRUVOPBTQDT-LLVKDONJSA-N 434.342 4.234 5 20 IIBD COC(=O)c1cc(NCc2cc(OC)c(F)cc2[N+](=O)[O-])c(Br)cc1F 613274124 SHZAIGLXHOMWBF-UHFFFAOYSA-N 431.189 4.043 5 20 IIBD CN(C[C@H]1CCCO[C@@H]1c1ccccc1)c1cc(CN2CCOCC2)ccc1[N+](=O)[O-] 619153451 RRZKQCMQKFHKKK-ZJSXRUAMSA-N 425.529 4.031 5 20 IIBD COc1ccccc1/C(C)=C/C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 727587301 KAEOOQKGFYOJJS-FMIVXFBMSA-N 438.358 4.207 5 20 IIBD Cc1c(COC(=O)CSc2nnc(-c3cccs3)n2C2CC2)cccc1[N+](=O)[O-] 728635825 JYKKMCFZPBQQQS-UHFFFAOYSA-N 430.511 4.394 5 20 IIBD CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)ccc21 729411976 XAEAIVHSQJQQEQ-UHFFFAOYSA-N 442.428 4.443 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)OC2CCN(c3ccc(C(C)=O)cc3)CC2)cc1OC 730415503 QKHQNDVVXUEJLC-UHFFFAOYSA-N 442.468 4.031 5 20 IIBD O=C(CCCc1ccc(Cl)cc1)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730703036 GEJAHPAULQSCAX-GOSISDBHSA-N 430.888 4.419 5 20 IIBD O=C(NCCCNc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc(Br)c1 731210464 XQLCXXHHPVXOAA-UHFFFAOYSA-N 435.303 4.199 5 20 IIBD Cc1ccc(N2C(=O)/C(=C\NCCOc3ccc([N+](=O)[O-])cc3)c3ccccc3C2=O)cc1 731595612 XCGGJXVJBFHKTE-KQWNVCNZSA-N 443.459 4.100 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC1(c2ccc(Cl)cc2)CCCC1 731624781 IVXVPFDNRNEYKJ-UHFFFAOYSA-N 432.860 4.034 5 20 IIBD CC(C)N(Cc1ncc(-c2ccc3c(c2)OCO3)[nH]1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 733875187 VFRZZJOQAOCADA-UHFFFAOYSA-N 442.859 4.418 5 20 IIBD COc1ccc(CSCC(=O)OCc2ccc(Cl)cc2[N+](=O)[O-])cc1[N+](=O)[O-] 734887888 DPNQYFSHMDGHCE-UHFFFAOYSA-N 426.834 4.142 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 735643277 FACJMFZZMNCJQR-UHFFFAOYSA-N 427.844 4.212 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Br)[C@H](c1ccccc1)N1CCCCC1=O 740580337 LETMIWDIFNRBEH-IBGZPJMESA-N 447.285 4.154 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)cccc1[N+](=O)[O-] 745294245 TXWJEIKVNYQXHU-CQSZACIVSA-N 445.447 4.211 5 20 IIBD Cc1c(Br)ccc(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1N 745451611 FDHODZPOFBHXHC-SNVBAGLBSA-N 447.245 4.216 5 20 IIBD C[C@@H](OC(=O)[C@H]1SCCc2sccc21)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 745635308 HBKWFNRUCGPHEL-PSLIRLAXSA-N 426.903 4.211 5 20 IIBD O=C(OCc1cccc2c[nH]nc12)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 745951589 SXYXMDMPNMDBGV-UHFFFAOYSA-N 448.401 4.450 5 20 IIBD CCOc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 746813026 XTSHVKPRLQSTRN-KRWDZBQOSA-N 433.892 4.489 5 20 IIBD C[C@@H](OC(=O)c1cccc(N2CC=CC2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 747712045 BOPMTDAVCWGVQA-CYBMUJFWSA-N 449.385 4.174 5 20 IIBD Cc1c(C(=O)O[C@@H](C)C(=O)Nc2ccccc2C(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748952634 YVRWEYSCJOFKGE-AWEZNQCLSA-N 429.429 4.427 5 20 IIBD O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 749877969 BRXWFOVIADJXKL-UHFFFAOYSA-N 427.810 4.225 5 20 IIBD O=C(COC(=O)c1cccc(Cl)c1[N+](=O)[O-])Nc1ccc2c(c1)OC1(CCCCC1)O2 750534819 JMECXPADEWTRMK-UHFFFAOYSA-N 446.843 4.475 5 20 IIBD CCCN(CCC)C(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 751271068 QCQSMRDJHGPKNR-UHFFFAOYSA-N 439.921 4.311 5 20 IIBD Cc1c(Br)cc(C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)cc1[N+](=O)[O-] 753432364 MMPKPKFILSESEQ-UHFFFAOYSA-N 436.174 4.072 5 20 IIBD CC(C)C(=O)Nc1ccc(OS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 754039937 GKCWCRSDVKLNTP-UHFFFAOYSA-N 433.269 4.264 5 20 IIBD O=C(CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)Nc1cccc2ccccc12 754966574 FRZPYJHZZBCKMW-UHFFFAOYSA-N 446.232 4.018 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)C(F)(F)c2nccs2)c2ccccc2)c([N+](=O)[O-])c1 755603865 HDAFURLYIXZNRK-MRXNPFEDSA-N 447.419 4.375 5 20 IIBD Cc1c([C@H](C)NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cnn1-c1ccc(F)cc1 756963527 CZZQYJUBOWNPCG-LBPRGKRZSA-N 431.855 4.442 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)OCCCO2 763806412 OXNUFNDAVMHCQY-CYBMUJFWSA-N 446.481 4.052 5 20 IIBD O=C(OCc1nc2cc(C(F)(F)F)ccc2o1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 767305786 RMXOCQCRSRWNGK-UHFFFAOYSA-N 432.314 4.298 5 20 IIBD CCCN(C(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(C)C 771156875 LDQZCNHSRXEMGI-UHFFFAOYSA-N 439.921 4.310 5 20 IIBD CC(C)(C)NC(=O)c1ccccc1NC(=O)c1sc(Br)cc1[N+](=O)[O-] 772149531 PKRLZSHJHIMBRL-UHFFFAOYSA-N 426.292 4.199 5 20 IIBD Cc1nn(C)c2nc(C3CC3)cc(C(=O)OCc3ccc(Br)c([N+](=O)[O-])c3)c12 773368492 QFVNFUYPTPUAPT-UHFFFAOYSA-N 445.273 4.182 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1cc(F)c([N+](=O)[O-])cc1F 773893348 NIEZDRHXSFMBQV-XXFAHNHDSA-N 429.217 4.142 5 20 IIBD CCCCN(CCCO)C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 775574387 BBXOKNWAXSKRJR-UHFFFAOYSA-N 433.892 4.125 5 20 IIBD COc1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2Cl)c([N+](=O)[O-])cc1OC(F)F 778095708 PKXXQPGYMCUUDS-UHFFFAOYSA-N 432.719 4.123 5 20 IIBD Cc1nccn1-c1ccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cn1 780367801 ZTHYIKZPRDFJLC-UHFFFAOYSA-N 431.402 4.101 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cc(F)c(F)cc1Br 781740977 KMMQFWMDFUJDMH-UHFFFAOYSA-N 430.161 4.115 5 20 IIBD CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)c1cc([N+](=O)[O-])ccc1N 786702384 JREBCXIDJDWBAM-UHFFFAOYSA-N 433.493 4.363 5 20 IIBD C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)COc1cc([N+](=O)[O-])ccc1Br 786744499 SBOISYKDNPOVCV-SNVBAGLBSA-N 429.217 4.234 5 20 IIBD CC(C)Oc1cc(F)ccc1OS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 790942733 YXYLHROQBAGBBY-UHFFFAOYSA-N 434.239 4.051 5 20 IIBD COc1ccc([C@@H]2C[C@H]2NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 794145756 WHJZBPDPHWPFTQ-LSDHHAIUSA-N 426.416 4.387 5 20 IIBD O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)N1CCC[C@H]1c1ccc(F)cc1 795777042 MGBAKYMVOMHBRY-AWEZNQCLSA-N 447.257 4.161 5 20 IIBD O=[N+]([O-])c1ccc(N2CCOC[C@H]2C[C@H](O)c2cccs2)nc1-c1ccc(F)cc1 797436069 VRQAOAYXXCKLCA-AEFFLSMTSA-N 429.473 4.186 5 20 IIBD Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1 798124224 YJAJWIZXIWFCAT-UHFFFAOYSA-N 448.435 4.302 5 20 IIBD COc1ccc(CN(CC2CC2)C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c(OC)c1 799946545 CLDNTBSIAKFIMO-UHFFFAOYSA-N 433.892 4.387 5 20 IIBD C[C@@H](C(=O)OCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1ccc([N+](=O)[O-])cc1F 800979901 DFZTYVNMYXTNIC-SNVBAGLBSA-N 449.378 4.003 5 20 IIBD O=C(OCc1c(F)cc([N+](=O)[O-])cc1F)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 803364208 NMZQRTJIQRVFED-UHFFFAOYSA-N 447.415 4.204 5 20 IIBD COc1cc(C(=O)Nc2ccc(F)c([C@H](C)O)c2)c([N+](=O)[O-])cc1OCc1cscn1 804804579 ZEVSPMFAASQJKS-NSHDSACASA-N 447.444 4.084 5 20 IIBD C[C@H](Cc1cncc2ccccc12)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 805681118 UFEMBAUQNBILJW-CYBMUJFWSA-N 427.844 4.157 5 20 IIBD O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 807792558 VJQURSWLLCGYAV-MRXNPFEDSA-N 437.399 4.201 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O 807986319 ICCWKFASUJZRCM-XPKDYRNWSA-N 429.286 4.042 5 20 IIBD O=[N+]([O-])c1cc(OS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])ccc1Cl 808350198 HJLCLEIRTGZFEI-UHFFFAOYSA-N 427.605 4.231 5 20 IIBD Cc1c(C(=O)N2CCCC[C@@H]2c2nnc(C3CCC3)o2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 809227159 CWWUOKRABPBBQB-OAHLLOKOSA-N 429.433 4.138 5 20 IIBD C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(N2CCCCC2=O)cc1 811004129 FGFGRILGIROEJM-KRWDZBQOSA-N 436.512 4.203 5 20 IIBD CSCC[C@H](NC(=O)c1ccco1)C(=O)OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811031299 YKJQQTAFUJWWCV-ZDUSSCGKSA-N 447.296 4.090 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCN(C(=O)NCc3cccc([N+](=O)[O-])c3)C2)C1 814365347 GUUBKBFUDXKSMB-RTBURBONSA-N 446.548 4.164 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 814431571 MRVFVSVDTSVMPX-MSOLQXFVSA-N 431.533 4.403 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cnc(OC2CCCCC2)c(Cl)c1 815302363 OXNGMHWBIBNKPW-UHFFFAOYSA-N 447.875 4.459 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1CNc1cc(N2CCOCC2)ccc1Br 864012983 KGWNFEUYEYWLMQ-UHFFFAOYSA-N 436.306 4.205 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3cccc(-n4ccnc4S)c3)cc2)c(C)c1[N+](=O)[O-] 913556105 VLSXWINQHOEYGR-UHFFFAOYSA-N 448.508 4.183 5 20 IIBD Cc1cccc(C)c1OCCC(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 914948627 VNAIMZJHRQHWME-UHFFFAOYSA-N 440.374 4.181 5 20 IIBD CCc1cc(C(=O)O[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)n[nH]1 914954813 HHNQGLPOLQGADC-SFHVURJKSA-N 428.832 4.071 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)NC(=O)C2(c3cccc(Cl)c3)CCC2)cc1[N+](=O)[O-] 916791640 PEZZNPLERUTOHA-UHFFFAOYSA-N 443.308 4.137 5 20 IIBD CCCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1OC 917105941 LHUBHXHSSCDTMY-UHFFFAOYSA-N 427.501 4.313 5 20 IIBD CC(C)(C)[C@H](NC(=O)COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1cccs1 918864768 HYFFSQDNEWARJR-HXUWFJFHSA-N 445.541 4.317 5 20 IIBD Cc1ccc(N2C(=O)/C(=C/NCCc3ccc([N+](=O)[O-])cc3)c3ccccc3C2=O)cc1 920177608 IMYKHXODPUSIQU-XQNSMLJCSA-N 427.460 4.263 5 20 IIBD C[C@H]1[C@H](c2ccccc2)OC[C@@H](C)N1C(=O)c1sc(Br)cc1[N+](=O)[O-] 1337530188 PNWQWKTUHRHYGW-JRPNMDOOSA-N 425.304 4.410 5 20 IIBD COc1ccc(NC(=O)N2[C@H]3CC[C@H]2CC(O)(Cc2ccc(F)cc2F)C3)c([N+](=O)[O-])c1 1345728283 SJPGJLWYWTVDQJ-HOTGVXAUSA-N 447.438 4.014 5 20 IIBD C[C@@H](Cc1ccncc1)C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1 1785750999 CQDGTBCLYRWZAM-INIZCTEOSA-N 448.479 4.209 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)NC1(c2ccc(NC(=O)c3ccnc(F)c3)cc2)CCC1 1786515256 HPAAZTZNAJRYEY-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD Cc1cc[nH]c1C(=O)Nc1ccc(C2(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)CCC2)cc1 1787103233 QUDATEPZNBXYGZ-UHFFFAOYSA-N 436.443 4.432 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccoc4C)CCC3)cc2)ncc1[N+](=O)[O-] 1788765580 RCEKJFAAVHXUCZ-UHFFFAOYSA-N 434.452 4.261 5 20 IIBD Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cnoc4C)CCC3)cc2)cc1[N+](=O)[O-] 1790525893 BRAOYHHXTFVTNI-UHFFFAOYSA-N 448.479 4.190 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]3C3CC3)CCC2)cc1)c1ccc(O)c([N+](=O)[O-])c1 1790617624 XTFNUUDQJMTGGY-RBUKOAKNSA-N 435.480 4.094 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)C(F)(F)Cl)CCC2)cc1)c1cc(F)cc([N+](=O)[O-])c1 1790699505 TZCAXWGCOZYBQU-UHFFFAOYSA-N 441.793 4.313 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc2ccoc12 1800353005 JYXMGENRUJUDSO-MUJYYYPQSA-N 437.427 4.046 5 20 IIBD C[C@@H](C(=O)N1CCC2(CCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)CC1)c1ccccc1 1804752987 QTCUPRYBVGKVAF-HXUWFJFHSA-N 449.551 4.172 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])[nH]n1)C1CCCC1 1816682758 AMDWBPINZMIOIX-SJFMBGHLSA-N 437.500 4.214 5 20 IIBD O=C(CCC1CCCC1)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1 1816689539 DQCOADLJEULYOT-INIZCTEOSA-N 429.477 4.187 5 20 IIBD Cc1c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(F)CC3)n[nH]2)cc(Cl)cc1[N+](=O)[O-] 1821800537 VCEPNKJLKLQUQI-HNNXBMFYSA-N 449.870 4.088 5 20 IIBD Cc1csc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)c1 1823610551 JZDAFSVSBPNXQH-MRXNPFEDSA-N 431.514 4.105 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc([N+](=O)[O-])o3)C2)s1 1841443783 QQGVFSAVMQOIHT-WEVVVXLNSA-N 443.525 4.077 5 20 IIBD Cc1nc2ccccc2cc1C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 10465427 QYIFSNSYJIBYSO-UHFFFAOYSA-N 433.342 4.266 5 20 IIBD COc1cc(COC(=O)[C@@H]2COc3ccc(Cl)cc3C2)c([N+](=O)[O-])cc1OC(F)F 10918234 JOLIPGSNORIEMN-LBPRGKRZSA-N 443.786 4.153 5 20 IIBD O=C1c2ccc(-c3nnc(-c4cccc([N+](=O)[O-])c4)o3)cc2C(=O)N1CCc1ccccc1 21127823 USANVCUQPBPRSJ-UHFFFAOYSA-N 440.415 4.151 5 20 IIBD CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1Cl 22668046 UOZZPMBBZRGELC-NSHDSACASA-N 430.800 4.381 5 20 IIBD C[C@@H](OC(=O)[C@@H](C)Oc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 25777791 LJCWACTXHBOWNY-GHMZBOCLSA-N 444.337 4.090 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c1 26989342 HUUGOJUUECXVNM-UHFFFAOYSA-N 425.510 4.014 5 20 IIBD COc1ccccc1[C@H](CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)N1CCCC1 27571013 NKLWDFBQQIVASK-UZLBHIALSA-N 429.542 4.037 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccc([N+](=O)[O-])o1 28293177 WIWDAMJUMTYIJT-QGZVFWFLSA-N 445.771 4.286 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)COc1ccccc1Cc1ccccc1 28786754 PRCWSHLRONHZBS-UHFFFAOYSA-N 434.448 4.055 5 20 IIBD COc1ccc(C)cc1-c1csc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)n1 31227056 ISZAHHFRQHCFQL-UHFFFAOYSA-N 435.465 4.473 5 20 IIBD COc1ccccc1NC(=O)C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 31431433 XQSMGPVHMMTNNP-UHFFFAOYSA-N 439.493 4.309 5 20 IIBD Cn1c([C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c2ccccc2)nc2ccccc21 58700185 ZDQZOXZOIDYSKW-XMMPIXPASA-N 439.475 4.342 5 20 IIBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(OCc2ccccc2Cl)cc1 72005265 ZPKHDJHIKDJHLA-UHFFFAOYSA-N 439.855 4.196 5 20 IIBD O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1cc([N+](=O)[O-])c(F)cc1F 115521474 XXCRXKNUPWXCQU-UHFFFAOYSA-N 426.788 4.307 5 20 IIBD O=C(Nc1ccc(OCc2noc(C3CC3)n2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 409511450 FNFSQECGLCUKGJ-UHFFFAOYSA-N 449.467 4.287 5 20 IIBD COc1ccc(-c2noc([C@@H](C)SCCC(=O)Nc3ccccc3[N+](=O)[O-])n2)cc1 409853865 FAKDKRQHQVCYIY-CYBMUJFWSA-N 428.470 4.476 5 20 IIBD COc1cc(C(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)c([N+](=O)[O-])cc1OC 410041052 KSGRGNBBJQOVKT-XMMPIXPASA-N 448.475 4.456 5 20 IIBD Cc1csc(Sc2ccc(NC(=O)NCCn3cc([N+](=O)[O-])cn3)cc2Cl)n1 426067244 PXOSQEOYFSPTRS-UHFFFAOYSA-N 438.922 4.183 5 20 IIBD CCCc1c(NC(=O)NCc2cc([N+](=O)[O-])ccc2OC)cnn1-c1ccc(F)cc1 429616898 HUGQQOWJICKYRG-UHFFFAOYSA-N 427.436 4.202 5 20 IIBD C[C@H]1CN(c2ccccc2NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H](C)O1 431790315 WXJZMXRFMNSUCE-STQMWFEESA-N 434.290 4.223 5 20 IIBD O=c1c(Cl)c(N(Cc2cccs2)C[C@@H]2CCCO2)cnn1-c1ccc([N+](=O)[O-])cc1 432044125 ZOWLREJDAXSORX-INIZCTEOSA-N 446.916 4.041 5 20 IIBD O=C(NC[C@H]1CCCN(Cc2cccs2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 436234365 XALSUNDQIHBLOU-QGZVFWFLSA-N 431.561 4.385 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCOc1ncccc1C(F)(F)F 437421260 NHQDXTXSWALXOL-UHFFFAOYSA-N 426.395 4.008 5 20 IIBD CC[C@@H](CNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])Oc1ccccc1C(F)(F)F 439650279 TUYWLQHBKDSCDJ-LBPRGKRZSA-N 442.390 4.218 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(CN(C)Cc2ccccc2)CC1 439876358 FQEDRCLYWKDJET-UHFFFAOYSA-N 426.517 4.369 5 20 IIBD C[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 440871755 GCTYWFWRHAIZIN-ZHRRBRCNSA-N 428.510 4.156 5 20 IIBD O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCC(N2CCCCC2=O)CC1 441065639 JMJNCKSBGPRSKO-UHFFFAOYSA-N 439.537 4.363 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](c2c[nH]c3ccccc23)C(F)(F)F)c1C 443454636 OHXBJLSKMYFHKQ-QGZVFWFLSA-N 427.404 4.275 5 20 IIBD C[C@@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)[C@@H]1CCCN(C2CCC2)C1 444306610 WXZPCVWWAGJRQJ-HUUCEWRRSA-N 439.506 4.342 5 20 IIBD C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444316794 NHPRIOYURZXTCN-KSFYIVLOSA-N 429.495 4.071 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N[C@H](COc1ccccc1F)c1ccccc1 444981221 OQPMRJGODGSNNI-HXUWFJFHSA-N 449.442 4.230 5 20 IIBD O=C(Cc1noc(/C=C\c2ccc(F)cc2[N+](=O)[O-])n1)Nc1ccccc1Br 445482422 PNMZBPMKESDWLP-VURMDHGXSA-N 447.220 4.231 5 20 IIBD CCC[C@@H](CCCS(C)(=O)=O)C(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 448126425 BIQHTQRVEDYVRC-AWEZNQCLSA-N 439.559 4.206 5 20 IIBD Cc1cc(F)cc(-n2cc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)c(C)s3)nn2)c1 448196439 KPACSUMDWPPAIY-UHFFFAOYSA-N 438.444 4.307 5 20 IIBD Cc1sc(NC(=O)c2nnn(CC3CCCC3)c2C)nc1-c1cccc([N+](=O)[O-])c1 448198560 SCJGGHFLXYCSEW-UHFFFAOYSA-N 426.502 4.369 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CC[C@@H](c3ccccc3)[C@@H](C)C2)ccc1[N+](=O)[O-] 460663094 QHMFCMGLTHNKDD-QTGUNEKASA-N 435.524 4.160 5 20 IIBD O=C(Nc1ccccc1)Nc1cccc2c1CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)C2 461102069 UTCMYYPUJDXHJW-UHFFFAOYSA-N 430.464 4.366 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1c[nH]nc1-c1cccc(OC(F)F)c1 464005898 NCQCGMOSEWKNRL-UHFFFAOYSA-N 430.411 4.339 5 20 IIBD O=C(c1cnn(-c2ccccc2)c1C1CC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464638384 LIOZFWNQIKMTMN-UHFFFAOYSA-N 432.480 4.342 5 20 IIBD CCOc1cc(NC(=O)N[C@@H](C)c2cccc(-n3cccn3)c2)c([N+](=O)[O-])cc1OCC 466667462 LLWBNKPLJZNJCZ-HNNXBMFYSA-N 439.472 4.461 5 20 IIBD Cc1sc(S(=O)(=O)N[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)cc1[N+](=O)[O-] 467022449 INOIJABRQJKRGS-LBPRGKRZSA-N 446.375 4.148 5 20 IIBD CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1cccc([N+](=O)[O-])c1N 468699433 IFHFKQJFMBWSMG-UHFFFAOYSA-N 425.464 4.191 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1cc2cc(Br)ccc2[nH]1 468907934 ILUUGEIXWCBNRA-UHFFFAOYSA-N 431.290 4.347 5 20 IIBD C[C@H]1CN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C[C@H](c2ccsc2)O1 470710712 HELCHUYEUCFUHO-MEDUHNTESA-N 430.404 4.200 5 20 IIBD O=C1CCCC[C@@H]1[C@H]1CCCN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 471939342 CSWNYFYLNPPHLB-GDBMZVCRSA-N 427.423 4.166 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC(C)(c2ccc(Cl)cc2)CC1 473316620 QUDBLQIXFIEXHT-QGZVFWFLSA-N 433.940 4.061 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(O[C@@H](C)c2ncc(-c3ccccc3)o2)c([N+](=O)[O-])c1 477177514 NRAIQFVKNCCZEO-HNNXBMFYSA-N 445.497 4.420 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 479626534 YBWOKHXJKKRDGE-MFKMUULPSA-N 430.452 4.328 5 20 IIBD Cn1cc(CN[C@H]2CCN(c3ccccc3C(F)(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 479873018 LBYVURRPYNPTNE-KRWDZBQOSA-N 445.445 4.383 5 20 IIBD O=[N+]([O-])c1ccc2nc(CSc3nnc(-c4cccnc4)n3Cc3ccccc3)[nH]c2c1 484500001 NDWQOBJPMMLBKO-UHFFFAOYSA-N 443.492 4.465 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 484540638 DSCKYELQHASGLV-HXUWFJFHSA-N 447.470 4.362 5 20 IIBD O=C(O)c1cc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)cc([N+](=O)[O-])c1 485235859 VPDAOXQYVMVRGS-UHFFFAOYSA-N 425.633 4.054 5 20 IIBD O=C1NCCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)[C@H]1c1cccs1 487951533 CEDCWWJWDRTRKL-IBGZPJMESA-N 439.518 4.121 5 20 IIBD CN(Cc1ccccc1)CC1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 488069233 ADHUMNUZKHKNJW-UHFFFAOYSA-N 444.963 4.344 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCS[C@@H]4COCC[C@H]43)cc2[N+](=O)[O-])cc1 489022603 XTZQSIBAXWEOAU-YLJYHZDGSA-N 430.551 4.401 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCC(N2CCC(C)CC2)CC1 489032473 YUAVBPHAYKUVTB-UHFFFAOYSA-N 435.590 4.106 5 20 IIBD O=C(Nc1nc2ccc(I)cc2s1)c1cccc([N+](=O)[O-])c1 491038488 RWLSQONYPXVGOX-UHFFFAOYSA-N 425.207 4.061 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)cn2)cc1 493952909 OYAFSRLRYZLLKA-MRXNPFEDSA-N 434.452 4.215 5 20 IIBD O=C(Nc1ccc(-n2cncn2)c(F)c1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 495067034 NDXHWCZUCVPNTB-UHFFFAOYSA-N 433.399 4.146 5 20 IIBD NC(=O)Cc1ccc(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)cc1 497397410 PNDZXGJYDWPDIT-UHFFFAOYSA-N 438.871 4.140 5 20 IIBD O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1ccc([N+](=O)[O-])c2cccnc12 498140335 MUORHSCMRYCKRQ-ZDUSSCGKSA-N 446.385 4.050 5 20 IIBD CC[C@H](C)Sc1ccc(NC(=O)C(=O)NCc2cc([N+](=O)[O-])ccc2OC)c(C)c1 498995154 LJQPJWJYYVAYGM-AWEZNQCLSA-N 431.514 4.057 5 20 IIBD CC(=O)Nc1ccc(C)c2c1CCCN2C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 499404366 ISDDJWJAXOUVGW-UHFFFAOYSA-N 436.512 4.057 5 20 IIBD CC(=O)Nc1ccc(-c2noc(-c3n[nH]c4ccc([N+](=O)[O-])cc34)n2)cc1C(F)(F)F 499637596 RIGGDZCFHMOTSE-UHFFFAOYSA-N 432.318 4.165 5 20 IIBD CNC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)c1 499969005 ACUBGIPDMJTGAV-UHFFFAOYSA-N 438.871 4.472 5 20 IIBD CCc1sc(NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])nc1-c1ccccc1 501780017 ZDTBIWPNFDHJKB-UHFFFAOYSA-N 442.522 4.110 5 20 IIBD COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cc1NC(C)=O 501866206 XQMZPKNZRXSMNY-UHFFFAOYSA-N 435.436 4.284 5 20 IIBD Cc1cc(C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)nc(-c2ccc(Cl)cc2)n1 503032888 VLFJRZXKBMFYEE-UHFFFAOYSA-N 435.831 4.051 5 20 IIBD O=C(COc1ccccc1-c1nc(-c2cccc([N+](=O)[O-])c2)no1)Nc1ccccc1F 504260548 OHDMECMIVVIUOO-UHFFFAOYSA-N 434.383 4.468 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(Sc3nnc(-c4ccc(Br)cc4)o3)cc2N1 506869400 SLCYMIULLOPULD-UHFFFAOYSA-N 447.270 4.443 5 20 IIBD Cc1c(NC(=O)CCN(C)Cc2ccc(OCC(F)(F)F)cc2)cccc1[N+](=O)[O-] 511144531 SOFYOCHWSQEYPC-UHFFFAOYSA-N 425.407 4.305 5 20 IIBD C[C@@H]1CN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc([N+](=O)[O-])cc2)CCC3)C[C@H]1O 512086052 AKJRCVPTTLQPSU-KXYCCLPRSA-N 443.503 4.473 5 20 IIBD COc1ccc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)cc1[N+](=O)[O-] 515518858 PWHWOBBCGKHGBU-UHFFFAOYSA-N 425.677 4.042 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@H]2CCCc3nc(O)ccc32)cc1[N+](=O)[O-])c1ccccn1 516575739 ZORSTNHCZYEJBC-LIRRHRJNSA-N 433.468 4.071 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N(CC(F)(F)F)c2ccccc2)cc1[N+](=O)[O-] 517622492 JCTUHBKGUBBERD-UHFFFAOYSA-N 437.403 4.084 5 20 IIBD Cc1ncsc1CN(C)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 518193210 JRYARBJZUQVZGZ-UHFFFAOYSA-N 447.520 4.414 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(OC3CCCCC3)nc2)cc1OC 522920901 MQXRACXWJRACHX-UHFFFAOYSA-N 429.473 4.039 5 20 IIBD COc1cc(CN(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(SC)cc1OC 525001339 CJNJTZAXEBIVNA-UHFFFAOYSA-N 430.486 4.016 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(COCc2ccccc2)cc1 525030922 QEYKLTGMFPEOSG-UHFFFAOYSA-N 433.464 4.070 5 20 IIBD Cc1ccc(-c2nc(CCNC(=O)NCCCNc3ccc(C)cc3[N+](=O)[O-])co2)cc1 525320287 KTVQTFNWQHGZQN-UHFFFAOYSA-N 437.500 4.211 5 20 IIBD CC(C)(C)c1nnc(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)s1 531829910 KPUKBAPIVLIWNF-UHFFFAOYSA-N 425.514 4.286 5 20 IIBD COc1ccc(CNc2cccc(-n3nnnc3C)c2)cc1OCc1ccc([N+](=O)[O-])cc1 532728178 DSMTZSIWOHQGCO-UHFFFAOYSA-N 446.467 4.079 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](c2ccccc2)C(F)(F)F)c(C(F)(F)F)c1 533007015 RYNVCGDORZCQKT-CYBMUJFWSA-N 428.310 4.196 5 20 IIBD O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 538243117 OQNMTEZPYRHBDZ-GHTZIAJQSA-N 429.904 4.111 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccc(C)o1)N1CCOCC1 538494063 XDGQSWPSUAFXHC-LJQANCHMSA-N 447.557 4.192 5 20 IIBD O=C(C[C@@H](c1ccccc1)C(F)(F)F)NCCCNc1ncnc2ccc([N+](=O)[O-])cc12 539404786 VBYGUPCYKSPTKP-KRWDZBQOSA-N 447.417 4.192 5 20 IIBD COc1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCCO3)ccc1[N+](=O)[O-] 539958386 SNFXOROXIKEQHB-JOCHJYFZSA-N 433.420 4.146 5 20 IIBD CCc1ccc(C2=CCN(C(=O)c3cc(OC)c(OCCOC)cc3[N+](=O)[O-])CC2)cc1 540087899 ODQAPLHTAZSUBX-UHFFFAOYSA-N 440.496 4.121 5 20 IIBD COC(=O)c1cc(C(=O)N(CCC(C)C)c2nnc(C)c3ccccc23)cc([N+](=O)[O-])c1 540102948 DHSDVBCPDWGFDU-UHFFFAOYSA-N 436.468 4.326 5 20 IIBD Cn1cc(CNc2ccc(OCC(F)(F)C(F)F)nc2)c(-c2ccc([N+](=O)[O-])cc2)n1 540809994 FQJAIBBBOYSWHQ-UHFFFAOYSA-N 439.369 4.282 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC([C@H](O)C(F)(F)F)CC2)cc1OC 542914858 OJWLGJVATRFPEJ-YJYMSZOUSA-N 434.455 4.164 5 20 IIBD O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 544435934 USCXEWKDXTXRJD-HNNXBMFYSA-N 445.507 4.491 5 20 IIBD C[S@@](=O)Cc1noc(-c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)n1 545020831 VFQMRNFLZPTBPU-MUUNZHRXSA-N 432.508 4.284 5 20 IIBD Cc1c(Cc2noc(Cn3c4ccccc4c(=O)c4ccccc43)n2)cccc1[N+](=O)[O-] 545068186 DCLQNCALSXGLAM-UHFFFAOYSA-N 426.432 4.393 5 20 IIBD CC(C)OC[C@@H]1CN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCO1 545327280 XJWOYEWKTXPGHJ-GHTZIAJQSA-N 447.919 4.054 5 20 IIBD O=C(Nc1cccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1)[C@H]1Cc2ccccc2O1 546967104 OPCDLUGDTCIZRU-HXUWFJFHSA-N 428.404 4.254 5 20 IIBD O=[N+]([O-])c1c[nH]c(-c2nc(-c3ccccc3-c3ccc(CN4CCOCC4)cc3)no2)c1 547090760 WRZRGJMKCFOUBA-UHFFFAOYSA-N 431.452 4.139 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc([C@@H]2CC(=O)N(Cc3ccccc3)C2)no1 547250097 ZPFYNDPYHAKKDK-UKRRQHHQSA-N 442.859 4.287 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])c1ccccc1SCc1occc1C(=O)O 548066588 DIEIIJUPKXLBHJ-UHFFFAOYSA-N 426.450 4.151 5 20 IIBD COc1cccc(CN(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)c1OCc1ccccc1F 549150853 RZNVUQKVYBZHOD-UHFFFAOYSA-N 440.427 4.299 5 20 IIBD Cc1nn(CCC(=O)N[C@H]2c3cccc(Br)c3CC2(C)C)c(C)c1[N+](=O)[O-] 561522972 OVGKZDQWMIVEQK-SFHVURJKSA-N 435.322 4.001 5 20 IIBD CCN1CCC(CNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 565851369 TVYYCQVAIIMRLU-UHFFFAOYSA-N 430.936 4.322 5 20 IIBD CC(C)NC(=O)c1ccc(N[C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)c([N+](=O)[O-])c1 567282504 UIDZZOMGGISDJU-YWZLYKJASA-N 442.491 4.036 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@H](c3ccccc3)C[C@@H]2OC)cc1OC 569269891 ZKJNHLDLFOKPGG-HQRMLTQVSA-N 428.485 4.083 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CC2(CCC2)[C@@H]1C(C)C 576616150 ZHNYMMHQNNRWOF-HNNXBMFYSA-N 428.270 4.159 5 20 IIBD COCC[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 582411350 PLLGHFLQUCBTQY-SFHVURJKSA-N 447.340 4.043 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1 583903087 FALBESLKWWFVLH-ICSRJNTNSA-N 427.570 4.494 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(C3(Cc4cccc(F)c4)CCOCC3)n2)c1 590273453 VXPJASVIVKIJKB-UHFFFAOYSA-N 427.432 4.007 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N(CCc1ccccc1)C1CCCC1 603530875 MEMNCIWIYNDDTD-UHFFFAOYSA-N 437.496 4.297 5 20 IIBD C[C@H]1CN(Cc2ccccc2CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 603769807 RACITJARTUNNTI-FGTMMUONSA-N 443.569 4.001 5 20 IIBD O=[N+]([O-])c1cc(I)ccc1NCc1ccnc(N2CCCCC2)c1 603866139 HJYOYBKZTPIOKQ-UHFFFAOYSA-N 438.269 4.197 5 20 IIBD COc1cc([C@@H](C)NC(=O)COc2ccccc2[N+](=O)[O-])ccc1OCc1ccccc1 603986637 HLRGLLKSPGMBIV-QGZVFWFLSA-N 436.464 4.439 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc(C(F)(F)F)c1 604132968 SAQRAJSACUQKQD-SECBINFHSA-N 447.316 4.031 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCCN(C[C@H]2CCCO2)CC1 604573290 CNNRTRXZQOICIZ-LJQANCHMSA-N 441.553 4.073 5 20 IIBD COc1cc(CCNC(=O)C(C)(C)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC 608903029 WWGIRXMJJWPGJZ-UHFFFAOYSA-N 440.418 4.267 5 20 IIBD COCC(=O)Nc1cccc(CNc2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])c1 608972715 BJMUKPIDBWCKMK-UHFFFAOYSA-N 448.479 4.353 5 20 IIBD CCN(Cc1cc(Br)ccc1F)C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 609010851 XGZGAPRQASAVOQ-UHFFFAOYSA-N 425.254 4.096 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H](C)c2cn(C)nc2C)cc1[N+](=O)[O-] 609025948 VXZUIDBZAVXESS-ZDUSSCGKSA-N 438.509 4.081 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc3c(c2)oc(=O)n3C)cc1 609107854 YQJLFXPIPHFJPQ-UHFFFAOYSA-N 435.392 4.093 5 20 IIBD CC1(C)CN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C(C)(C)CO1 609646107 DDKNYALUUPUYPO-UHFFFAOYSA-N 448.523 4.406 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCc1nc(-c2ccc(Cl)cc2)no1 609732088 VDHPAQYSPQTYCH-UHFFFAOYSA-N 437.239 4.037 5 20 IIBD O=[N+]([O-])c1cccc(-n2nc(-c3ccco3)cc2NS(=O)(=O)c2cc(F)cc(F)c2)c1 609831249 OQNZDDQAMCEEHH-UHFFFAOYSA-N 446.391 4.120 5 20 IIBD C[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Br)CCN1Cc1ccccc1 610046016 PCYZNQRRESVHPT-NVXWUHKLSA-N 446.345 4.482 5 20 IIBD O=C(Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1)[C@@H]1Cc2cc(F)ccc2O1 610107592 WATXYBNQPNEHSX-FQEVSTJZSA-N 434.383 4.122 5 20 IIBD COCC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 610151132 XRGAKVQYWCCMCA-AWEZNQCLSA-N 437.290 4.200 5 20 IIBD COc1ccccc1-c1nc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cs1 610305433 CHDZHIRQZKSXPT-UHFFFAOYSA-N 439.493 4.411 5 20 IIBD O=C(c1ccc2c(=O)n3c(nc2c1)CCC3)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 610365067 XNWLGMZDBFCFPF-UHFFFAOYSA-N 440.459 4.098 5 20 IIBD COC(=O)c1cc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c(Br)cc1F 612476299 CSFOGSJJKMEDPT-QMMMGPOBSA-N 443.200 4.164 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674471875 JPFDCBJABWIQHQ-GJZGRUSLSA-N 442.359 4.354 5 20 IIBD CCOC(=O)N(C)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 726956534 YXMJGSKWRALOIA-UHFFFAOYSA-N 427.457 4.080 5 20 IIBD CC(C)c1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)NC(=O)OC(C)(C)C)cc1 728884979 XINWXWKXIFCTLB-GOSISDBHSA-N 430.505 4.053 5 20 IIBD NC(=O)c1ccccc1N1CC[C@@H](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C1 732568992 SIXZWLAIDJKCDV-SNVBAGLBSA-N 428.798 4.057 5 20 IIBD Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 732586159 HZZWDGTZZLSPSY-UHFFFAOYSA-N 439.516 4.242 5 20 IIBD C[C@H](OC(=O)c1ccc2nc(C(F)F)[nH]c2c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 733533648 GJKHLHXRRBETCQ-QMMMGPOBSA-N 438.774 4.246 5 20 IIBD CCN(CC(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)OC(C)(C)C 734314240 QFZDEPAJLMBIQX-UHFFFAOYSA-N 443.456 4.010 5 20 IIBD Cc1ccc(NC(=O)c2cccc(OS(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)cc1 734496536 ZKIFQVVKKIFHSA-UHFFFAOYSA-N 426.450 4.232 5 20 IIBD COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 736011385 GAENBBIUDYCMFN-QGZVFWFLSA-N 435.864 4.461 5 20 IIBD CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1I)c1ccc(F)cc1F 737645344 PCSKJTTYCAIQDX-HNNXBMFYSA-N 446.191 4.359 5 20 IIBD COc1cc(N2CCC(OC(=O)COc3cccc4ccccc34)CC2)ccc1[N+](=O)[O-] 739384736 LUZDJTHAUHGKLN-UHFFFAOYSA-N 436.464 4.348 5 20 IIBD CCc1nc(C)c([C@@H](C)OC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)s1 741951708 WXWDFAQOUVILNO-RHSMWYFYSA-N 431.514 4.140 5 20 IIBD C[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 742517386 MLRMACZJZUROAP-MGPUTAFESA-N 425.485 4.386 5 20 IIBD COc1cc(NC(=O)CCN(C)Cc2cc([N+](=O)[O-])ccc2Cl)c(OC)cc1Cl 743257027 CCPOVTSGCWTFDS-UHFFFAOYSA-N 442.299 4.379 5 20 IIBD CSc1ccc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 744562447 KCOCUADBSSWYRB-AWEZNQCLSA-N 429.498 4.101 5 20 IIBD C[C@@H](OC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(=O)Nc1cc(Cl)ccc1Cl 744623130 JHOIMNDHLAYVRE-LLVKDONJSA-N 436.251 4.427 5 20 IIBD O=C(Nc1ccccn1)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 750563973 BHEXRBCSVZJBQN-UHFFFAOYSA-N 445.479 4.485 5 20 IIBD CCOC(=O)c1cc(C(=O)OCc2coc(-c3c(F)cccc3F)n2)cc([N+](=O)[O-])c1 751635222 JKETYHJIKLLCQR-UHFFFAOYSA-N 432.335 4.062 5 20 IIBD CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1 755515012 IYYGDZCGRYBDIM-CQSZACIVSA-N 433.892 4.034 5 20 IIBD COC(=O)Nc1cc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2O)cc(C(F)(F)F)c1 758468659 HIUWJIACTKBYOU-UHFFFAOYSA-N 433.726 4.403 5 20 IIBD CC(C)Cn1ncc(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1C(F)F 758836545 CNVAASPNWQLZQS-JTQLQIEISA-N 444.822 4.222 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)/C=C/SCc1ccco1 760151062 VMDZFVRXCAYPFK-CSKARUKUSA-N 428.470 4.422 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCC[C@H](O)c2ccc(Cl)c(Cl)c2)cc1OC 760733875 WGJNFXDXTYFODH-INIZCTEOSA-N 443.283 4.162 5 20 IIBD C[C@H](OC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1nc(-c2ccccc2)cs1 763409915 VGCMUIRRTAVAPZ-KBPBESRZSA-N 425.466 4.392 5 20 IIBD COc1ccc(C(=O)N[C@@H](C(=O)O[C@@H](C)c2ccccc2[N+](=O)[O-])c2ccccc2)cc1 764598588 QAYZFDDITAQGSO-KSFYIVLOSA-N 434.448 4.379 5 20 IIBD C[C@@H](C(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccc(Br)cc1 766629561 LGIRVUUHQKVZEG-CQSZACIVSA-N 448.317 4.316 5 20 IIBD COC(=O)c1coc([C@H](C)OC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 766996351 FMNZYEAJUIMUCA-VIFPVBQESA-N 433.360 4.390 5 20 IIBD Cc1nc(-c2ccccc2)ncc1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 767626382 DOKOBMLKKKODCV-ZDUSSCGKSA-N 440.843 4.198 5 20 IIBD O=[N+]([O-])c1cc(CN2CCC(n3c(O)nc4ccccc43)CC2)ccc1Br 768216943 AWURZYXUPZXCCT-UHFFFAOYSA-N 431.290 4.250 5 20 IIBD CCc1ccc([C@H](c2cccnc2)N(CC)S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 768851993 HFKLGPGCNRGODL-HXUWFJFHSA-N 431.539 4.414 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 769423619 UXNMYSGJSRFHJN-ZIAGYGMSSA-N 442.354 4.483 5 20 IIBD CC(C)c1noc(CCC(=O)O[C@@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])n1 774366130 FQUBFXCMRAIEME-INIZCTEOSA-N 440.294 4.228 5 20 IIBD CC(C)([C@H](OC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1)[N+](=O)[O-] 774367295 GWLCSNYPLMTTCS-QGZVFWFLSA-N 437.246 4.240 5 20 IIBD O=C(CCCc1ccc2ccccc2c1)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 776084361 MIHSJXYMNBMZBZ-UHFFFAOYSA-N 432.885 4.229 5 20 IIBD O=C(COC(=O)c1ccc(Br)cc1C(F)(F)F)Nc1ccccc1[N+](=O)[O-] 776449428 XBLPCAQYQVXJHQ-UHFFFAOYSA-N 447.163 4.172 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1 778783938 PJYCKJZZARKHHP-SFHVURJKSA-N 440.496 4.215 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 781004009 IRAWEIBZRLHTMT-DOTOQJQBSA-N 435.524 4.057 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccc(-c2ccc(C)o2)s1 781748302 VLOSYHOENLLULI-LBPRGKRZSA-N 430.438 4.417 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 784442184 NPACYUQGVIAFMH-YCRPNKLZSA-N 437.562 4.229 5 20 IIBD CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 787607358 WSVDGTXDSPREPH-SFHVURJKSA-N 433.427 4.313 5 20 IIBD Cc1cc(NC(=O)N2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)ccc1[N+](=O)[O-] 788007136 GVFDQDAEJCJGKE-UHFFFAOYSA-N 439.390 4.317 5 20 IIBD CCc1c(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cnn1C1CCCC1 789254774 SYGXFKJDBIGARV-LBPRGKRZSA-N 434.880 4.306 5 20 IIBD C[C@@H](Oc1ccc(C=O)cc1)C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 794845625 CDNFZSSZGYEYCT-OAHLLOKOSA-N 434.404 4.033 5 20 IIBD COc1c(C(=O)O[C@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)cccc1[N+](=O)[O-] 796307142 OEWUEIWRVGXJFW-OAHLLOKOSA-N 426.425 4.091 5 20 IIBD Cc1c(CC(=O)OC[C@@H]2CCC(=O)N(C)[C@@H]2c2cccc(Cl)c2)cccc1[N+](=O)[O-] 797059367 WHARJKSDQUXHHT-HTAPYJJXSA-N 430.888 4.252 5 20 IIBD NC(=O)[C@H](OC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 799554077 XKQVFKSHNXBBKH-LJQANCHMSA-N 426.425 4.269 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NC1(c2ccc(Cl)c(Cl)c2)CC1 800602373 REERAYYIJSHHOQ-UHFFFAOYSA-N 426.231 4.093 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 801866199 GSSOMMNRFJQFGW-UHFFFAOYSA-N 448.454 4.090 5 20 IIBD COc1ccc(NC(=O)N2CCCC[C@@H]2COC(=O)NC2CCCCC2)cc1[N+](=O)[O-] 806402677 IHZZRDYAXAGRQZ-QGZVFWFLSA-N 434.493 4.049 5 20 IIBD O=[N+]([O-])c1ccc2cnn(Cc3nc(C4(c5ccccc5Br)CC4)no3)c2c1 809517303 DEHYVBOHRKGDPU-UHFFFAOYSA-N 440.257 4.218 5 20 IIBD COc1ccc([C@H](O)C2CCN(c3cc(C)nc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)cc1 812480336 MUWHJWXHMKXGNW-QHCPKHFHSA-N 434.496 4.319 5 20 IIBD C[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(N2CCCNC2=O)cc1 812801337 QXGYDIUMIAFWGY-HNNXBMFYSA-N 437.525 4.489 5 20 IIBD CCc1ccc([C@H](C)NC(=O)[C@H](C)OC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 822599037 WZISUCIXLHFZDL-IRXDYDNUSA-N 439.512 4.180 5 20 IIBD Cc1ccc(F)cc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 853803076 BSGDPBMODOHVRE-INIZCTEOSA-N 443.475 4.463 5 20 IIBD O=c1cc(C(F)(F)F)c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2o1 917849152 LNSLUYBQJZZZMP-UHFFFAOYSA-N 449.746 4.141 5 20 IIBD Cc1cc(Br)oc1C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 919380067 WBYDOIOBFBXALY-QMMMGPOBSA-N 431.626 4.096 5 20 IIBD CSCc1c(C(=O)OCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)oc2ccccc12 920147374 HZYNQJVYXCYXHY-UHFFFAOYSA-N 448.884 4.444 5 20 IIBD CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 1116211106 VIMUWIQGGXLJAT-UHFFFAOYSA-N 438.484 4.167 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(CCc2c(C)nc3c4cccnc4nn3c2C)n1 1117593238 PBPRORNOMKULMH-UHFFFAOYSA-N 443.467 4.255 5 20 IIBD Cc1cc([C@@H](C)NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)c(C)o1 1322392893 UURHHRDPDCDRPE-CYBMUJFWSA-N 440.422 4.416 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1)c1ccc2nc[nH]c2c1 1785750308 DDSCOYBABREBSV-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD C/C=C(/C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 1824158018 HUPLQTGCHAQUPD-PXWJFQKQSA-N 447.963 4.377 5 20 IIBD Cc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 9719991 YDOBVBNEWZOFAF-KRWDZBQOSA-N 425.485 4.324 5 20 IIBD COc1ccc(C(=O)COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1Br 10748919 DLFXWFJYHMTWNT-UHFFFAOYSA-N 428.622 4.059 5 20 IIBD COc1cc(C(=O)Nc2ccc(Br)cc2F)c([N+](=O)[O-])cc1OC(F)F 10958240 FCLDJLUVRAJFQJ-UHFFFAOYSA-N 435.152 4.359 5 20 IIBD Cc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1[N+](=O)[O-] 15410023 TUASBOIKVIURDX-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD CSc1ccc(C(=O)OCC(=O)N[C@@H](c2ccccc2)c2cccs2)cc1[N+](=O)[O-] 19013598 RPMKFTSVFUSACT-FQEVSTJZSA-N 442.518 4.441 5 20 IIBD CC(C)(C)c1ccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1[N+](=O)[O-] 25010658 CYUYVJXVUZTREV-UHFFFAOYSA-N 433.511 4.158 5 20 IIBD O=C(COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])N[C@H](c1ccccc1)c1cccs1 26854144 YWXVKVFPUZESBK-LJQANCHMSA-N 430.869 4.372 5 20 IIBD CCOC(=O)c1cnn(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1C(F)(F)F 36764373 GYLLILAVJLACNU-UHFFFAOYSA-N 448.357 4.228 5 20 IIBD C[C@@H](c1ccccc1)N(C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)c1ccccc1 60543631 XODTZDVZQQZEIY-KRWDZBQOSA-N 431.448 4.115 5 20 IIBD CC[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc2c(c1)OCCO2 64933994 NPUGXTVETJOZJW-MRXNPFEDSA-N 425.466 4.371 5 20 IIBD C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cnccc23)CCN1c1ccc([N+](=O)[O-])c2cnccc12 210109656 IDOYOAHUPZPOJF-OAHLLOKOSA-N 444.451 4.315 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccc(C(=O)O)c(Cl)c3)cc2)c(C)c1[N+](=O)[O-] 237640553 ASUIUEQGNHDLKH-UHFFFAOYSA-N 428.832 4.060 5 20 IIBD C[C@H]1C[C@H](C)CN(Cc2ccc(CNc3sc(S(C)(=O)=O)cc3[N+](=O)[O-])cc2)C1 301943797 YRUXCPDXINOOSD-GJZGRUSLSA-N 437.587 4.150 5 20 IIBD COCCN(Cc1ccc(F)cc1Cl)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 409962129 OERBBEOVORCZQJ-UHFFFAOYSA-N 449.910 4.279 5 20 IIBD COc1cccc(C2(F)CCN(C(=O)COc3ccc([N+](=O)[O-])c4cccnc34)CC2)c1 410240299 LMPMZXMEMBKIGD-UHFFFAOYSA-N 439.443 4.018 5 20 IIBD C[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1nc(-c2ccccc2)no1 425971214 NKYQWAHBQURLKQ-LBPRGKRZSA-N 449.389 4.267 5 20 IIBD CN(Cc1nccn1Cc1ccccc1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 426266685 LWVYMMNGPXFBDT-UHFFFAOYSA-N 447.417 4.200 5 20 IIBD COc1ccc(CC[C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2OC)cc1OC 427450614 MYDDNOFEVTTXHH-KRWDZBQOSA-N 428.485 4.248 5 20 IIBD CC(C)(NCC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccccc1[N+](=O)[O-] 429245343 OQZZFLZIFHVOTH-NRFANRHFSA-N 444.963 4.026 5 20 IIBD CSC1(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCC1 433689960 RPWASNGQZNQMJH-UHFFFAOYSA-N 436.537 4.392 5 20 IIBD Cn1ccnc1COc1ccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1 436066399 QOKBXXDSBOSEDA-UHFFFAOYSA-N 442.450 4.385 5 20 IIBD Cc1nn(CC(=O)N(Cc2ccc(F)cc2)C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] 436474492 PMHLWODCIQXXQO-UHFFFAOYSA-N 426.492 4.236 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1 437732598 MURDSXCIGOETFH-BIENJYKASA-N 449.429 4.342 5 20 IIBD COc1ccc(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c(OCc2ccccc2)c1 439021109 BWRDXVUSSIRMLI-UHFFFAOYSA-N 445.435 4.015 5 20 IIBD O=C(NCCc1nnc2n1CCCCC2)c1ccccc1Sc1ccccc1[N+](=O)[O-] 442248141 DQEQYCKXIKIPAB-UHFFFAOYSA-N 437.525 4.036 5 20 IIBD Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 445103314 CTHAPZHMJFDORN-UHFFFAOYSA-N 433.428 4.029 5 20 IIBD CC(C)(C)NC(=O)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1 445521156 PIUFUUHWCCAAKS-UHFFFAOYSA-N 434.290 4.067 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc([C@H](C)Oc3ccc(CCC(C)=O)cc3)n2)c1 445576251 ITPZWEXXTORODW-HNNXBMFYSA-N 425.441 4.239 5 20 IIBD CCN(CC)CCOc1ccccc1NC(=O)c1sc(Br)cc1[N+](=O)[O-] 446099226 IHVRLYYWUSGRLZ-UHFFFAOYSA-N 442.335 4.392 5 20 IIBD CO[C@@H]1CCCC[C@@H]1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 460590924 FOUYNSMZWZQABI-FCHUYYIVSA-N 434.496 4.064 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C(=O)N1c1ccccc1 461291262 GPXXRTAQNOBCOB-VGOFRKELSA-N 444.491 4.131 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1cccc(OCC(F)F)c1 462153778 CEWOQLMEUYIQPA-UHFFFAOYSA-N 441.239 4.024 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(C(=O)NCc2ccco2)c1 462432489 RJGPBAXOPRKKCM-IBGZPJMESA-N 435.480 4.003 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2ccccc2n1CCCn1ccnc1 462493206 YVKVSXHIFREONP-IBGZPJMESA-N 446.511 4.439 5 20 IIBD CCc1cc(=NC(=O)c2cccc(NC(=O)c3ccco3)c2)c2cc([N+](=O)[O-])ccc2[nH]1 462602186 LDYVDRFHOCFPAO-UHFFFAOYSA-N 430.420 4.225 5 20 IIBD CCc1nc(CN2CCC(CNC(=O)[C@@H](CC)Cc3ccc([N+](=O)[O-])cc3)CC2)cs1 462987778 IDJHMQGYVPPHPA-IBGZPJMESA-N 444.601 4.211 5 20 IIBD CC[C@@]1(C)CCCN(C(=O)c2ccccc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C1 464585100 BAUMHJJHXZXHAO-QFIPXVFZSA-N 445.541 4.356 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1 464721164 VCRNZVMSXOMMAP-UHFFFAOYSA-N 428.448 4.417 5 20 IIBD Cc1ccc(-c2nc(NC(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)sc2C)s1 465129781 OGLBUJGGMKITHZ-UHFFFAOYSA-N 431.495 4.349 5 20 IIBD Cc1cc(N(C)Cc2nc([C@@H](C)OCC(C)C)no2)nc(-c2ccc([N+](=O)[O-])cc2)n1 467020948 CNNFOTMZDMCDJJ-OAHLLOKOSA-N 426.477 4.113 5 20 IIBD CC(C)OCCN1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 470211495 IOZRCCVXQVXYNI-UHFFFAOYSA-N 447.919 4.223 5 20 IIBD COc1c(C(=O)N2CCOc3cc(Br)c(Cl)cc32)cccc1[N+](=O)[O-] 476222862 CHTRYKGLIMQCRT-UHFFFAOYSA-N 427.638 4.059 5 20 IIBD Cc1oc2nc(SCc3c([N+](=O)[O-])ncn3C)nc(NC(=O)c3ccccc3)c2c1C 476482256 IYVMWZBRTQYJQR-UHFFFAOYSA-N 438.469 4.026 5 20 IIBD O=C(Nc1n[nH]c(-c2ccccn2)n1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 480550176 DVLZJIBFLQTOAP-UHFFFAOYSA-N 449.858 4.293 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cnc(-c2ccc3c(c2)OCO3)s1 483328120 VGVYLVAXIUBFCZ-UHFFFAOYSA-N 425.466 4.498 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 485895031 CACIKEPRAUHYEP-UHFFFAOYSA-N 429.274 4.357 5 20 IIBD CC(C)Oc1cc(Br)cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 487413569 UKFURPQYONGKSX-UHFFFAOYSA-N 437.246 4.168 5 20 IIBD CCn1cc([C@@H]2NC(=O)CC[C@H]2N[C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)cn1 488503111 UXBQFUOSQUZAPQ-ORHBMQHOSA-N 439.541 4.210 5 20 IIBD COc1cc(CN(C)Cc2cnn(-c3ccccc3)c2)c([N+](=O)[O-])cc1OCC(F)F 491918884 DETHZMIEZHQLAM-UHFFFAOYSA-N 432.427 4.065 5 20 IIBD CCC(CC)(CNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)N[C@@H](C)c1ccccc1 495254815 PAKBTEOFCCRIPQ-SFHVURJKSA-N 442.564 4.047 5 20 IIBD CCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 495882717 IFPWYZCUGFFQRG-MRXNPFEDSA-N 445.903 4.419 5 20 IIBD CC[C@H](NC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1)c1cccc([N+](=O)[O-])c1 499105124 ZNVVDBDPMNPEKF-HOCLYGCPSA-N 439.438 4.387 5 20 IIBD COc1cccc(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c1OC1CCCC1 499243670 KUVMRPXWTXFNEI-UHFFFAOYSA-N 436.468 4.041 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H]1C(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 500586525 URBSWQDIEYAJCV-QRVBRYPASA-N 437.521 4.108 5 20 IIBD COc1cc(CCNC(=O)N[C@H](Cc2ccccc2)c2ccccc2)c([N+](=O)[O-])cc1OC 503823521 CDVZJGCMOPDGFG-OAQYLSRUSA-N 449.507 4.438 5 20 IIBD CC(=O)N1CCc2cc(NC(=O)c3ccc(N[C@@H](C)c4ccccn4)c([N+](=O)[O-])c3)ccc21 506005256 SIAZXRNLAKRAED-HNNXBMFYSA-N 445.479 4.324 5 20 IIBD COCCc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Nc2ccccc2)cc1 506799831 XBRLWGVWKDUTTM-UHFFFAOYSA-N 427.482 4.328 5 20 IIBD CCCN1CCN(c2ccc(NC(=O)c3cc(C)cc([N+](=O)[O-])c3)c(OCC)c2)CC1 507612120 XTKMPZVXBLVPND-UHFFFAOYSA-N 426.517 4.086 5 20 IIBD CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)C1 508950919 RSOAAKHIKXETSA-XJKSGUPXSA-N 430.530 4.250 5 20 IIBD CC1(c2nc3ccccc3s2)CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 509149933 GMEAYIPSNVHIBH-UHFFFAOYSA-N 431.539 4.088 5 20 IIBD O=C(O)CCNC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2 509202453 JPEZGMYLXKOMIJ-SSZFMOIBSA-N 431.448 4.224 5 20 IIBD CCN(CC)[C@H](C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 510482652 QNAHUVCMMCHVOI-IBGZPJMESA-N 439.434 4.322 5 20 IIBD CN(C)C(=O)CC1CCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 512838770 OXZZRMYAEFDCAG-UHFFFAOYSA-N 426.473 4.109 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCOc3cc(O)ccc3C2)c([N+](=O)[O-])c1 513121343 CBRVFNXXJGBBOT-QHCPKHFHSA-N 433.464 4.183 5 20 IIBD COc1ccc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1Br 513988720 CBHATHMGASEOPC-UHFFFAOYSA-N 446.204 4.289 5 20 IIBD CCOc1ccc([C@H](C)NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1OC 515191318 CHXAVBAZCCLLQS-INIZCTEOSA-N 427.501 4.096 5 20 IIBD COc1ccc([C@H](NC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)c2ccc(F)cc2)cc1 517771881 RHLZZFUGGMTVLM-JOCHJYFZSA-N 439.443 4.340 5 20 IIBD Cc1ccccc1Oc1ccccc1CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 520727293 UAAZSMVUSKPTFN-UHFFFAOYSA-N 433.464 4.132 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccnn1CCc1ccccc1 523359562 PVFPTRAKKLMUIR-UHFFFAOYSA-N 447.417 4.494 5 20 IIBD O=C1[C@H](N2CCC(c3nc4cc(Cl)ccc4o3)CC2)CCN1c1cccc([N+](=O)[O-])c1 532659533 MEGWGEHTXJIGGH-LJQANCHMSA-N 440.887 4.374 5 20 IIBD Cc1c(Cl)cccc1NC(=O)[C@@H](C)[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534061807 VTVCCVPHLJBXPP-OSXTUODASA-N 447.900 4.488 5 20 IIBD Cc1[nH]nc(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)c1-c1ccccc1 535033006 WWSRCQBYXIWKEY-UHFFFAOYSA-N 448.220 4.150 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(-c2ccccc2)o1 535680622 NDURQIJIVHVMIH-UHFFFAOYSA-N 440.477 4.440 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H]2C[C@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] 535766729 ZOOVDYPRZZCAPH-MIFYACCESA-N 428.510 4.234 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cc(CN3CCSCC3)ccc2C)c1 538416412 AJMYSPVLAAHRTL-UHFFFAOYSA-N 429.542 4.168 5 20 IIBD CCCCN(C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CCS(=O)(=O)C1 540247837 POEGQQNYGDJFDF-GOSISDBHSA-N 447.513 4.208 5 20 IIBD NC(=O)c1n[nH]c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)cc12 541783991 QMRGVWKLDIIKBU-UHFFFAOYSA-N 439.497 4.105 5 20 IIBD COc1ccc([C@@H](CNC(=O)CSc2ccccc2[N+](=O)[O-])N2CCCCC2)cc1 542198585 CSNGEMBJKHJXFN-HXUWFJFHSA-N 429.542 4.039 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 542584769 LOWSQKBBAYMQSU-ZDUSSCGKSA-N 440.500 4.406 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(/C=C\c2nc(-c3ccc([N+](=O)[O-])cc3C)no2)cc1 544786504 SHHUOGOYWBXNRM-JYRVWZFOSA-N 442.497 4.154 5 20 IIBD COc1cc(Cc2noc(-c3cc(C4CC4)nc4c3cnn4C(C)C)n2)ccc1[N+](=O)[O-] 547179544 RORRXYGPKBRCDV-UHFFFAOYSA-N 434.456 4.447 5 20 IIBD CCN1CCN(Cc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)cc2)CC1 549746114 PUMBFVDYTZIKFL-UHFFFAOYSA-N 436.434 4.003 5 20 IIBD COc1cccc(OC)c1OC[C@@H](O)COc1ccc(-c2ccccc2)cc1[N+](=O)[O-] 555565947 VOSDGBWWMWZOJE-SFHVURJKSA-N 425.437 4.098 5 20 IIBD CC(C)(NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccccc1[N+](=O)[O-] 557970152 MJTMLOZXZQVSTK-MRXNPFEDSA-N 429.904 4.152 5 20 IIBD Cc1cc(NC(=O)c2ccc(OCc3ccncc3)cc2)n(-c2ccc([N+](=O)[O-])cc2)n1 559699031 RJKYKXGYESYMPY-UHFFFAOYSA-N 429.436 4.315 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(-c3cccc(-c4cscn4)c3)no2)c1N1CCOCC1 564269595 SMTLYUDELFQPGZ-UHFFFAOYSA-N 435.465 4.272 5 20 IIBD CCN(Cc1ccc(-c2nc(Cc3cc(OC)cc(OC)c3[N+](=O)[O-])no2)cc1)C(C)C 571847618 ZBVHJWSPFVXIQW-UHFFFAOYSA-N 440.500 4.483 5 20 IIBD COc1cc2c(cc1Cl)CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)CC2 576734917 UOYVFFZGMXLMJH-UHFFFAOYSA-N 425.666 4.218 5 20 IIBD O=C(Nc1ccc(F)cc1OC1CCOCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 578253563 GGPLNELJYHMSSA-UHFFFAOYSA-N 429.448 4.144 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(NC3(Cc4ccc(F)cc4Cl)CCOCC3)cc2N1 578966725 FREDDYWNFYCVLT-UHFFFAOYSA-N 433.867 4.476 5 20 IIBD O=C(c1cc2cc(Br)ccc2o1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 603760874 GTAVRAZULWSLAW-UHFFFAOYSA-N 430.258 4.066 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)cc1[N+](=O)[O-] 604520967 PNXPCXUMNDIOHO-OXQOHEQNSA-N 438.933 4.345 5 20 IIBD COC(=O)c1occc1CN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@@H](C)c1ccccn1 608960379 GJDMXVFTORFMGV-AWEZNQCLSA-N 448.435 4.254 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)Nc1cc(F)c(F)cc1F)c1ccccc1[N+](=O)[O-] 609209413 SNKORMBIGRFRHQ-HNNXBMFYSA-N 425.363 4.217 5 20 IIBD COc1ccccc1[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 609374015 DRXDVOKXJPAWGV-QHCPKHFHSA-N 428.448 4.309 5 20 IIBD CCN(C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H](c1cccnc1)c1ccc(F)c(F)c1 609577327 XFXLITRSXPAHBL-QHCPKHFHSA-N 441.434 4.457 5 20 IIBD O=C(c1cccc2ccccc12)N1CCC[C@H](C(=O)N2CCc3c2cccc3[N+](=O)[O-])C1 609973085 YRRCBNZWYYQREU-SFHVURJKSA-N 429.476 4.190 5 20 IIBD Cc1cc(=O)c(C(=O)Nc2cccc(N3CCCCCC3)c2)nn1-c1ccccc1[N+](=O)[O-] 610120976 BLKWMKJIOXMLSG-UHFFFAOYSA-N 447.495 4.082 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(N2CCCCCC2)c1 610147521 WHOUTLGVBDSUOS-UHFFFAOYSA-N 438.528 4.053 5 20 IIBD Cn1ccnc1[C@@H](NC[C@@H](c1ccccc1Cl)N1CCCC1)c1cccc([N+](=O)[O-])c1 611560214 AEJKMXBALCJYHG-VXKWHMMOSA-N 439.947 4.498 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1ccc(C(F)(F)C(F)(F)F)cc1 618374277 XKQSGPFCIPLDBT-UHFFFAOYSA-N 429.305 4.447 5 20 IIBD Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 618713027 RGJKQCREBNMMQN-UHFFFAOYSA-N 449.433 4.070 5 20 IIBD CO[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1Cl 618822766 LYFUOCQUEDIHLJ-INIZCTEOSA-N 431.798 4.454 5 20 IIBD CCCCC1CCC(c2cc(NC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)n[nH]2)CC1 619788214 VTOHXNYMRFVEAZ-UHFFFAOYSA-N 448.545 4.438 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 725824671 AAUGBWOKCHXMTD-UHFFFAOYSA-N 435.864 4.347 5 20 IIBD Cc1cc(O[C@@H](C)C(=O)OC[C@@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])ccc1Cl 730703116 HOLYPTWLCVTGQD-HOTGVXAUSA-N 446.887 4.172 5 20 IIBD O=C(Oc1cccc([N+](=O)[O-])c1)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl 730955669 UTMISNBDAVKUFX-UHFFFAOYSA-N 429.166 4.336 5 20 IIBD CCCCN(CCOC)C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 731643475 GBRHBWOOLZJLDD-UHFFFAOYSA-N 433.892 4.389 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 733425734 LYUVZJRQHNHSFS-QGZVFWFLSA-N 433.342 4.057 5 20 IIBD COc1ncc(C(=O)Nc2cc([N+](=O)[O-])ccc2Nc2cccc(C(F)(F)F)c2)cn1 733911760 JXNHXJHJZIFLDN-UHFFFAOYSA-N 433.346 4.408 5 20 IIBD O=C(OCc1nc(-c2ccc(Br)s2)no1)c1cc(F)c(F)cc1[N+](=O)[O-] 734028861 FLYSJMJKCIYJGL-UHFFFAOYSA-N 446.185 4.104 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@@H](C)Oc3cccc(Cl)c3)CC2)ccc1[N+](=O)[O-] 739382189 WFGSRMUEAUZMTB-CQSZACIVSA-N 434.876 4.236 5 20 IIBD O=C(OCc1cc(Cl)c2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1Br 739485334 QLAMCECEGNJODL-UHFFFAOYSA-N 428.622 4.139 5 20 IIBD CC(C)NC(=O)Nc1cccc(C(=O)OCc2ccc([N+](=O)[O-])cc2Br)c1 740581664 SIBQZJLYPKOVSR-UHFFFAOYSA-N 436.262 4.244 5 20 IIBD C[C@@H]1C[C@H](c2ccccc2F)N(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)C1 742422877 ONVVJXVCNLYTIF-FOIQADDNSA-N 433.505 4.106 5 20 IIBD Cc1sc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c(C)c1C 744554925 YOBRRVVQEBOAPR-UHFFFAOYSA-N 431.514 4.367 5 20 IIBD CC(C)C(=O)Nc1ccc(Cl)c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 745186582 LSCRHAYRCBIKID-GFCCVEGCSA-N 433.848 4.027 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1I)c1ncc(C(C)(C)C)o1 747700786 WGNJOBCLXSHLLK-SECBINFHSA-N 444.225 4.403 5 20 IIBD CSc1ccc(C(=O)N2C[C@H](CCN3CCCC3=O)c3ccccc32)cc1[N+](=O)[O-] 751329503 IIDZSVSDKRXABD-INIZCTEOSA-N 425.510 4.073 5 20 IIBD CS(=O)(=O)Cc1ccc(C(=O)OCc2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)cc1 752219583 VYBZVOHHFXMGHI-UHFFFAOYSA-N 441.461 4.289 5 20 IIBD O=C(COC(=O)c1c(F)ccc([N+](=O)[O-])c1F)N[C@@H](c1ccc(F)cc1)C1CCCC1 752561825 LERRHWDKNCXMSX-HXUWFJFHSA-N 436.386 4.217 5 20 IIBD O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1cc(F)cc([N+](=O)[O-])c1Br 754634358 CIAAFWCCDTVWDA-CQSZACIVSA-N 439.237 4.307 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])ccc1Br)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 754704198 MKOBWSPBDRIZBT-KBXCAEBGSA-N 437.265 4.489 5 20 IIBD Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 756727061 OPWSTUWINYWHKT-UONOGXRCSA-N 448.520 4.195 5 20 IIBD CC(C)[C@@H](CCN(C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)NC(=O)OC(C)(C)C 756965659 PLOLYUKPGUJGJC-QGZVFWFLSA-N 442.944 4.329 5 20 IIBD C[C@H](Cc1cccc(Br)c1)NC(=O)c1cccc([N+](=O)[O-])c1Br 758158263 GCGBLZHXAHOBLD-SNVBAGLBSA-N 442.107 4.481 5 20 IIBD Cc1ccc(-c2nc(CC(=O)O[C@@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)cs2)cc1 759929798 ISMDDZQQWGYRKX-ZWKOTPCHSA-N 426.498 4.493 5 20 IIBD COc1ccc(Br)c(C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1 760474657 AGCRVEHJKFUNCK-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 761492800 OJWOTWPCFDTYAL-QGZVFWFLSA-N 446.459 4.420 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@H](CCO)c3cccs3)cc2[N+](=O)[O-])n1 761934939 QCGLVZMADLCSOK-CYBMUJFWSA-N 435.552 4.426 5 20 IIBD Cn1ncc([N+](=O)[O-])c1C(=O)OCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 766630019 UEASBORJTKKCLD-UHFFFAOYSA-N 437.843 4.191 5 20 IIBD O=C(CCC(=O)c1ccc(Cl)cn1)OCc1ccc([N+](=O)[O-])cc1Br 769298625 COJYGOHTTHOHNL-UHFFFAOYSA-N 427.638 4.112 5 20 IIBD COc1cc(/C=C(/Cl)c2nnc(C(=O)NCc3ccc(C)cc3)s2)ccc1[N+](=O)[O-] 770571942 ZCSBJDJNPXKRDW-OQLLNIDSSA-N 444.900 4.430 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCc1nc(-c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)no1 770879216 JEUGMDQCFVUWRA-UHFFFAOYSA-N 436.384 4.093 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cc1[N+](=O)[O-] 772234608 DWJHVIBMKIZTDS-JTQLQIEISA-N 444.391 4.307 5 20 IIBD Cc1ccc(C)c(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c1 772476112 AHYFDMIMFLXOFZ-UHFFFAOYSA-N 425.485 4.243 5 20 IIBD CCN(CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1)CC(C)C 773981029 DKAKIYJIENVXFY-UHFFFAOYSA-N 430.593 4.415 5 20 IIBD CC(C)(C)OC(=O)N1CCc2ncc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2C1 774018036 PGTZFXVCKXZSJS-UHFFFAOYSA-N 432.864 4.189 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCN(C2CC2)c2ccc(Cl)cc21 776404447 NAKREXGDAFVMLX-UHFFFAOYSA-N 430.848 4.105 5 20 IIBD CSc1cccc(C(=O)O[C@H](C(=O)Nc2cccc(C(C)=O)c2)C(C)C)c1[N+](=O)[O-] 777073633 KHQWNKJKLSADOX-IBGZPJMESA-N 430.482 4.339 5 20 IIBD CCOC(=O)c1cnc(Oc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)nc1C 777972438 VCDUPBWYYPLYOK-UHFFFAOYSA-N 447.403 4.436 5 20 IIBD CC(C)(C)Sc1cc(C(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)ccn1 779201583 FIVJCHCKFJNNRU-UHFFFAOYSA-N 430.530 4.349 5 20 IIBD COc1cc(C(=O)Nc2ccc(O)c(Cl)c2)c([N+](=O)[O-])cc1OCc1cscn1 780991576 DPGPGOVWTSEBAN-UHFFFAOYSA-N 435.845 4.250 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(-c2cn3c(n2)CCCC3)cc1 781624726 NSBSOZKAYFXIRB-UHFFFAOYSA-N 435.440 4.274 5 20 IIBD CC(C)n1c([C@@H]2CCCN2C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)nc2ccccc21 781997184 XJOURNMVCQHTRD-VXKWHMMOSA-N 447.495 4.382 5 20 IIBD COc1ccc(C(=O)C2CCN(C(=O)c3cccc([N+](=O)[O-])c3Br)CC2)cc1 782163828 KUNNLGFWCBNVLP-UHFFFAOYSA-N 447.285 4.101 5 20 IIBD CCC(CC)(CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N[C@H](C)c1ccccc1 783324536 UDEDIMLOHXJBGM-OAHLLOKOSA-N 446.935 4.213 5 20 IIBD COc1cc(N2CCC(OC(=O)CCC(=O)c3cc(C)sc3C)CC2)ccc1[N+](=O)[O-] 783388513 SBBGGSSFMKIHDB-UHFFFAOYSA-N 446.525 4.457 5 20 IIBD Cc1ccc(N2CCNC2=O)cc1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 787683764 BPZZIFJIAUWCEJ-UHFFFAOYSA-N 448.429 4.050 5 20 IIBD CC(=O)N(c1nc(COc2cc(F)c(Br)cc2[N+](=O)[O-])cs1)C1CC1 790296294 SGIJPDRHVKXYCJ-UHFFFAOYSA-N 430.255 4.047 5 20 IIBD C[C@H](NC(=O)c1nc(Br)ccc1Br)c1cccc([N+](=O)[O-])c1 790365071 FFJNEYADXUGZRB-QMMMGPOBSA-N 429.068 4.006 5 20 IIBD Cc1c(NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)cccc1-c1ncco1 793445344 UZWITPFLKQNGQX-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1 796008520 AJHFJRIBAKLGCH-UHFFFAOYSA-N 432.395 4.354 5 20 IIBD COc1cc([N+](=O)[O-])ccc1COC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 797472894 RWVAEUSUVSXSIZ-UHFFFAOYSA-N 448.475 4.352 5 20 IIBD Cc1cc(NC(=O)c2cccnc2)ccc1OC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 799469346 MPIVAXNXBCFIRU-UHFFFAOYSA-N 430.420 4.111 5 20 IIBD O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 799927067 ODFKXPOBCBWCGH-UHFFFAOYSA-N 428.747 4.129 5 20 IIBD O=C(Nc1cccc(Br)c1)C1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 804403860 YXOMGQKQCSXALD-UHFFFAOYSA-N 449.261 4.121 5 20 IIBD COc1cccc([C@@H](O)CN(Cc2ccccc2)c2ncnc3sc([N+](=O)[O-])cc23)c1 804564191 OMDJCRIIFKGOMG-IBGZPJMESA-N 436.493 4.348 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3noc(C(F)F)n3)cc2)cccc1[N+](=O)[O-] 805634746 QOYPAUDYJSZSPP-LLVKDONJSA-N 446.366 4.075 5 20 IIBD C[C@@H](OC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1)c1ccccc1[N+](=O)[O-] 805649872 TUHKURZMPGHCIC-KZULUSFZSA-N 432.395 4.389 5 20 IIBD C[C@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1ccc(SCC(=O)N(C)C)cc1 809071404 XFCJXEHJWGBERH-AWEZNQCLSA-N 448.516 4.496 5 20 IIBD C[C@]12CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)C[C@H]1C2(Cl)Cl 809844875 YZBRBNNFYOFMDX-NEPJUHHUSA-N 434.128 4.106 5 20 IIBD CC(C)Cn1nc(C(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)c2ccccc2c1=O 815179766 WLAIYSWHSOETHY-UHFFFAOYSA-N 449.385 4.337 5 20 IIBD Cc1cc(S(=O)(=O)Oc2ccccc2C(=O)Nc2ccccc2)c(F)cc1[N+](=O)[O-] 820743362 DZNOZEAUOHCGDZ-UHFFFAOYSA-N 430.413 4.062 5 20 IIBD Cc1nc(Br)sc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 821670793 RXKIJXFCPSIRPP-UHFFFAOYSA-N 425.289 4.498 5 20 IIBD Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1[N+](=O)[O-] 848944229 WUSLMPXVFACYDS-LLVKDONJSA-N 447.419 4.489 5 20 IIBD COc1cc(-c2nc(-c3ccc(-n4cnc5ccccc54)nc3)no2)c([N+](=O)[O-])cc1F 904490188 ZPDJQABZUQROKT-UHFFFAOYSA-N 432.371 4.193 5 20 IIBD O=C(COC(=O)COc1cccc([N+](=O)[O-])c1)Nc1ccccc1Sc1ccccc1 914909425 AJJRAZCJAZNGJK-UHFFFAOYSA-N 438.461 4.307 5 20 IIBD Cc1ccc(-c2nc(CC(=O)O[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cs2)o1 914967016 OHWKDTYWRGVVQB-NSHDSACASA-N 449.872 4.386 5 20 IIBD CC(C)[C@@H](OC(=O)COc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(F)(F)F 915365342 ICLBTGGOMZGWLO-GOSISDBHSA-N 440.374 4.199 5 20 IIBD CC(C)CCn1c(=O)c2ccccc2n2c(SCc3cc(F)ccc3[N+](=O)[O-])nnc12 915789836 KFFAWRMWUCHCJR-UHFFFAOYSA-N 441.488 4.430 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)NC3CCC4(CC3)OCCO4)cc2[N+](=O)[O-])cc1 916427809 AVFOUXMZDARITR-UHFFFAOYSA-N 428.510 4.470 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nc(Cc2ccc(Br)cc2)cs1 917714575 UYISZAYSKDCXQJ-UHFFFAOYSA-N 448.298 4.422 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)c1ccc(C(C)(C)C)cc1 918685343 OYBIVNMCRSDNRC-HXUWFJFHSA-N 443.569 4.407 5 20 IIBD CCc1c(C(=O)O[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)cnn1C 919176360 YETYKDDNJYJCSC-LJQANCHMSA-N 442.859 4.081 5 20 IIBD C[C@H](OC(=O)c1cc(-c2cccc(F)c2)no1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 919189475 DZYOWTOAYYXZHR-JTQLQIEISA-N 433.779 4.226 5 20 IIBD CC(C)[C@@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(=O)N1CCc2sccc2C1 919210132 GGXWOMQOWUCUEI-LJQANCHMSA-N 428.466 4.169 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 919227803 ZPKPOLISUORIDN-VIFPVBQESA-N 442.211 4.302 5 20 IIBD COC(=O)c1ccc([C@H](C)OC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)o1 920544273 LCFNNZAHGAHJPI-KGLIPLIRSA-N 439.424 4.461 5 20 IIBD COC(=O)[C@H](OC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])c1ccccc1Cl 1321909605 WLBAMPZFOSWEBR-MRXNPFEDSA-N 425.846 4.050 5 20 IIBD CCOc1ccc(CN(C)C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1OC 1323151316 JPZWRUOENUTEKV-UHFFFAOYSA-N 442.390 4.215 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 1327168635 RYFJOYXZBLCNAZ-JOCHJYFZSA-N 433.512 4.101 5 20 IIBD C[C@@H](Oc1ccc2ccccc2c1)c1nnc(CCNC(=O)c2ccc([N+](=O)[O-])cc2)o1 1328230921 DYVYEUMTWVNODX-OAHLLOKOSA-N 432.436 4.244 5 20 IIBD Cc1n[nH]cc1C(=O)NC1(c2ccc(NC(=O)CCc3cccc([N+](=O)[O-])c3)cc2)CCC1 1786602798 SAXRQOOTZKFUSZ-UHFFFAOYSA-N 447.495 4.007 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)NC1(c2ccc(NC(=O)[C@H]3CC3(F)F)cc2)CCC1 1789136765 LJKXSZHQFAQURT-MRXNPFEDSA-N 445.422 4.012 5 20 IIBD CC(=O)C[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])CCC2)cc1 1791543483 YQJKDKGWEPYXIG-MSGBMKDASA-N 449.507 4.357 5 20 IIBD COc1cc(C(=O)Nc2ccc(C3(NC(=O)c4c[nH]c(C)c4)CCC3)cc2)ccc1[N+](=O)[O-] 1792164464 GWGWIKKUAOQGGH-UHFFFAOYSA-N 448.479 4.301 5 20 IIBD O=C(CC1CCC1)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1832904121 NCWVPQUAAPKJOC-VDZCTEQFSA-N 439.556 4.418 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 3538481 VTYCCCGXIHZTJJ-UHFFFAOYSA-N 440.550 4.340 5 20 IIBD CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nc2sc(C)c(C)c2c1=O 9357453 GFIHZBPMKRKFRH-UHFFFAOYSA-N 432.527 4.042 5 20 IIBD O=C(COC(=O)CCCc1ccc(Br)s1)Nc1ccc(F)c([N+](=O)[O-])c1 16257083 PZMHPJYXUVMWKX-UHFFFAOYSA-N 445.266 4.063 5 20 IIBD COCc1c(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)sc2cccc(F)c12 17937432 QNPKGXRMCHJIHA-UHFFFAOYSA-N 436.392 4.030 5 20 IIBD C[C@H](Sc1nnc(-c2ccccc2F)n1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 22210968 JGVDVSHYIKMRRS-JTQLQIEISA-N 435.868 4.302 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 27800240 UREWXXHEPFYOPD-QWRGUYRKSA-N 441.267 4.333 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1)N1CCC(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 29888940 LMYZGZWRHJTFMQ-UHFFFAOYSA-N 447.413 4.055 5 20 IIBD Cc1ccc(NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)c(OCc2ccccc2)c1 59784672 SEKFFTFNBSJFHK-UHFFFAOYSA-N 433.420 4.029 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)c1C 63878382 CQRQLBGLRJECHT-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD CN(Cc1csc(Br)c1)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] 64113585 UPSFOXDONKWOFN-UHFFFAOYSA-N 435.303 4.020 5 20 IIBD CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 65127852 ZXWVJQMVUFRYHJ-UHFFFAOYSA-N 446.479 4.201 5 20 IIBD C[C@@H](OC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccccc1[N+](=O)[O-] 72055670 GOPQFSPXVZGKMR-MRXNPFEDSA-N 425.462 4.487 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCC(C)(C)c2cccc(Cl)c2)ccc1[N+](=O)[O-] 72080497 CWXVVHFVGKXNSQ-HXUWFJFHSA-N 443.931 4.255 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccc(C(=O)NCc2ccccc2F)cc1 108367552 NPKRTZUVXDPRPT-UHFFFAOYSA-N 436.443 4.023 5 20 IIBD O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(Cc3cn4ccsc4n3)CC2)s1 116205563 WXCCLPSSKPRKPW-UHFFFAOYSA-N 439.566 4.350 5 20 IIBD O=C(Cc1coc2ccc3ccccc3c12)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 117055754 FMYUALJKRRRGOG-UHFFFAOYSA-N 449.488 4.083 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(NCC2CCN(Cc3ccccc3Cl)CC2)s1 301943474 YOUVCNYUXXHIJB-UHFFFAOYSA-N 443.978 4.037 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N[C@@H]1CCc2c(O)cccc21 302005974 VFEISOBFKKUNBY-GOSISDBHSA-N 425.466 4.201 5 20 IIBD O=C(NCc1ccc(Oc2cccnc2)c(F)c1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 303503799 VNICFJSRMAQZSQ-UHFFFAOYSA-N 434.383 4.105 5 20 IIBD O=[N+]([O-])c1ccc(CNS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)cc1 319851938 TXYYWNCHASYGFD-UHFFFAOYSA-N 440.102 4.143 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccnc(N2CCCCCC2)c1 410316577 OKFXTRZTFGLBLY-HNNXBMFYSA-N 432.908 4.107 5 20 IIBD C[C@H]1CN(C2CCOCC2)CCN1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 426561772 XNMRKOYTKIPXLX-KRWDZBQOSA-N 429.492 4.211 5 20 IIBD O=C(NCc1ccc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1)c1cccs1 427602357 FQKOGVFXLVZIQB-UHFFFAOYSA-N 435.505 4.391 5 20 IIBD O=[N+]([O-])c1ccc(Oc2nc(-c3cnccn3)nc3sc4c(c23)CCCC4)cc1CO 428660650 DDMCBYYUOQCVNC-UHFFFAOYSA-N 435.465 4.220 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc2c(cc1Cl)CCC2=O 429502533 ZXVMMXIVZARYBU-UHFFFAOYSA-N 448.884 4.285 5 20 IIBD C[C@@H](Cc1cccc(Br)c1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 429848172 RCLVPSDYMNKFFZ-JTQLQIEISA-N 442.107 4.481 5 20 IIBD Cn1cc(CN(Cc2ccc(Cl)cc2)C(=O)CSc2ccccc2[N+](=O)[O-])cn1 431228841 AYXZGQSYQDXZHZ-UHFFFAOYSA-N 430.917 4.303 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccc(OCc2ccccn2)c(F)c1 432187781 QZNAZPVYSUOQLR-UHFFFAOYSA-N 448.410 4.274 5 20 IIBD CC(C)c1[nH]nc(C(=O)NC[C@@H](c2ccccc2)N2CCc3sccc3C2)c1[N+](=O)[O-] 433828670 OAEWLMWIKZOOHC-KRWDZBQOSA-N 439.541 4.032 5 20 IIBD CCNc1ccc(C(=O)Nc2c(C)cnn2[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] 434311076 DVKGNBLAFUOTPO-HXUWFJFHSA-N 448.527 4.231 5 20 IIBD COc1ccccc1-c1noc(C2CCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])CC2)n1 436376832 DIFSFPBXLMEDAG-UHFFFAOYSA-N 449.389 4.451 5 20 IIBD O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCCC[C@H]2c2ncc(-c3ccccc3)[nH]2)cc1 439202676 MXVSNXYMAJYTNK-NRFANRHFSA-N 440.525 4.084 5 20 IIBD Cc1cscc1NC(=O)c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 439608449 ZYHCDTZOVZNJOW-UHFFFAOYSA-N 431.495 4.326 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 440028426 NCGMMZWCRMLXNX-ZIAGYGMSSA-N 433.892 4.236 5 20 IIBD Cc1ccc(-c2cnc(CS(=O)(=O)c3ccc(Br)cc3[N+](=O)[O-])o2)cc1 443186467 ZMISYUBLNGXFBB-UHFFFAOYSA-N 437.271 4.295 5 20 IIBD CS(=O)(=O)c1c(Cl)cccc1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 460289359 PBIXKGUGRXMRJI-UHFFFAOYSA-N 437.886 4.028 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)c1nnc(-c2cccnc2)n1CCc1ccccc1 460430696 PLIOQSYYSLLZER-UHFFFAOYSA-N 428.496 4.170 5 20 IIBD O=[N+]([O-])c1ccc(CN(c2nnc([C@@H]3CCCO3)n2CCc2ccccc2)C2CC2)cc1 460432937 XISOJBZSTJIKND-QFIPXVFZSA-N 433.512 4.450 5 20 IIBD CCCN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@H](c1cccnc1)c1ccc(F)c(C)c1 461529410 LTGQVTVRUPTOJM-QFIPXVFZSA-N 425.464 4.052 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O 462503292 RNBISAGMSPBIKD-OXQOHEQNSA-N 429.904 4.081 5 20 IIBD CCc1ccc(-c2ccc(C(=O)N3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)o2)cc1 464067894 WCMDFPDNELRHAI-UHFFFAOYSA-N 433.464 4.015 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 464725391 XGOGGHNPWQPEIK-QFIPXVFZSA-N 431.448 4.352 5 20 IIBD COc1cccc(-c2noc([C@H](C)NC(=O)NCCCCc3ccc([N+](=O)[O-])cc3)n2)c1 465985049 TWOPDTFLEJUECT-HNNXBMFYSA-N 439.472 4.037 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccn(-c2ccc(F)cc2)n1 466170754 VOWPSXMIQDTLFQ-UHFFFAOYSA-N 425.464 4.082 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 466512903 GSKMJZQZSOFMEZ-QFIPXVFZSA-N 447.447 4.188 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(F)c1I 467460764 YSBRPUJIBCBZQX-UHFFFAOYSA-N 449.607 4.314 5 20 IIBD O=C(NCc1csc(CCc2ccccc2)n1)NCc1ccc([N+](=O)[O-])cc1Cl 468210056 QTTHNPCGSQOEOC-UHFFFAOYSA-N 430.917 4.489 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCc1csc(-c2ccc(Cl)cc2)n1 468998577 MONXRIAPHFJHMR-UHFFFAOYSA-N 437.930 4.430 5 20 IIBD CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1c(OCC)cccc1[N+](=O)[O-] 471147675 MWPLUTVYGFFLTK-UHFFFAOYSA-N 443.500 4.260 5 20 IIBD Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 474500486 YHXFSDYANBTWBE-MRXNPFEDSA-N 444.557 4.019 5 20 IIBD CC(C)C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(=O)Nc1nccs1 475196695 WBLZPQYUFXQZDT-LBPRGKRZSA-N 445.423 4.245 5 20 IIBD O=C(NCc1noc(-c2ccccc2F)n1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 477134904 HAGKGQVCFLQVJP-UHFFFAOYSA-N 447.426 4.326 5 20 IIBD Cc1c(Br)cc(C(=O)N[C@@H](c2ccc(F)cc2)c2cnn(C)c2)cc1[N+](=O)[O-] 479653755 WZHFPZDSQBSAAO-SFHVURJKSA-N 447.264 4.058 5 20 IIBD COCCN(Cc1sccc1Br)C(=O)NCc1cccc([N+](=O)[O-])c1C 480065138 VETCIACMVKAWNP-UHFFFAOYSA-N 442.335 4.085 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(Oc2cnccn2)c1 481736021 CZRSVEWOQUXYTF-UHFFFAOYSA-N 426.454 4.168 5 20 IIBD CC[C@@H](CN(CC)C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)c1ccccc1 482258463 CJJRWGWMHTUGKA-SFHVURJKSA-N 434.496 4.105 5 20 IIBD CC(C)S(=O)(=O)Cc1ccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 482964151 ZJYWJNNONLVZJQ-UHFFFAOYSA-N 431.514 4.115 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cc(Cl)ccc2Br)cc1[N+](=O)[O-] 484175962 FGROXEBDQFMOOW-JTQLQIEISA-N 440.681 4.135 5 20 IIBD CCN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] 484911283 CSAPFGMURDAAEA-SFHVURJKSA-N 441.818 4.487 5 20 IIBD Cc1[nH]c2ccccc2c(=NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)c1C(C)C 485670314 QBQLVPVJFDGBBT-UHFFFAOYSA-N 430.468 4.138 5 20 IIBD Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 486188175 DRPNUDKCVUIOHB-SWLSCSKDSA-N 425.304 4.377 5 20 IIBD CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 486712700 HOXHBDGCIMVQFK-HOTGVXAUSA-N 427.526 4.123 5 20 IIBD CCOc1cc2c(cc1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)OCCO2 488649745 XDSZVWXOSRMKRT-UHFFFAOYSA-N 441.362 4.105 5 20 IIBD Cc1ccc(-n2c(SCC(=O)N(C)c3ccc([N+](=O)[O-])cc3)nnc2-c2ccco2)cc1 488916362 LBRQCEDJNOFBJZ-UHFFFAOYSA-N 449.492 4.499 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2nc(-c3nccn3C)cs2)cc1[N+](=O)[O-])c1ccccn1 488954981 XWCCDGLYBCPGRA-CYBMUJFWSA-N 449.496 4.272 5 20 IIBD O=C(N[C@H]1CSc2ccc(Br)cc21)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 489627838 UMOAUHLOILFHRC-INIZCTEOSA-N 445.298 4.120 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)ccc1[N+](=O)[O-] 489638636 LEKOTSPNYHWBPH-XKCSPQBFSA-N 435.524 4.350 5 20 IIBD C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@@H]1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 491344847 AVKVDZWYJFFXFC-HROJSSOGSA-N 436.556 4.425 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cc(Cl)ccc2N2CCSCC2)cc([N+](=O)[O-])c1 499516371 ATCNSATUKJPCOG-UHFFFAOYSA-N 449.916 4.230 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 501689400 OWCTUAJTRWPIJU-UHFFFAOYSA-N 437.427 4.072 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CCC[C@@H](Oc3ccccc3Cl)C2)cc([N+](=O)[O-])c1 504678411 UFIJOHGURDLNRO-QGZVFWFLSA-N 432.860 4.109 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1 505333982 UUPDEOQQIXKKBD-ZDUSSCGKSA-N 449.866 4.032 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1nc2ccccc2n1C1CCCCC1 508019492 UOGOHHIXAVUZQS-HNNXBMFYSA-N 435.484 4.207 5 20 IIBD CC[C@H](C)n1ncc2c(C(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCCO4)cc(C)nc21 508783845 JTRJVNRFOMLBER-ZDUSSCGKSA-N 425.445 4.033 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N(CC1CCCCC1)C1CC1 508977421 KJHILNBUCUWBCC-UHFFFAOYSA-N 428.270 4.384 5 20 IIBD COc1cc([C@@H](C)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc(OC)c1OC 509297321 YCKPWOXYTIPHKO-OAHLLOKOSA-N 431.489 4.302 5 20 IIBD Cc1c(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)cccc1S(=O)(=O)NC1CC1 512657610 GCHPRARDAMWYAQ-UHFFFAOYSA-N 427.482 4.216 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[C@@H]2CCCC[C@H]21 512699076 IFXFMWXUMTYNQI-YNZJMPHRSA-N 428.270 4.159 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 513076352 OQDKGYLITLKTMZ-CQSZACIVSA-N 433.306 4.314 5 20 IIBD COCCO[C@H]1CCCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 513768893 CYBOILGGXKMOLJ-SFHVURJKSA-N 430.526 4.322 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N=c1nc(-c2ccccc2)[nH]s1 515702818 AGDLIFHDMZODET-UHFFFAOYSA-N 440.428 4.285 5 20 IIBD COc1ccc([C@H](Cc2ccc(F)cc2)N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 517556820 YZGRSGFXUMXKPC-ZEQRLZLVSA-N 449.482 4.421 5 20 IIBD CCCCOc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC 518120714 XWKKOACUZMGVFL-ZDUSSCGKSA-N 449.891 4.252 5 20 IIBD COc1ccc(CNC(=O)N[C@H](C)CCc2ccc(Br)cc2)cc1[N+](=O)[O-] 518403907 XKQCYOYMGSBMNE-CYBMUJFWSA-N 436.306 4.186 5 20 IIBD Cc1c(C(=O)NCC2(Sc3ccccc3)CCCC2)nnn1-c1cccc([N+](=O)[O-])c1 520236910 IBADVNBEMAKIDL-UHFFFAOYSA-N 437.525 4.319 5 20 IIBD CC(C)(C)NS(=O)(=O)c1ccccc1CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 520966404 JSAMEYHOHJDBQK-UHFFFAOYSA-N 443.525 4.221 5 20 IIBD O=C(COc1ccccc1OCc1ccccc1)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 521858340 ACUGQWBGGAJNGR-UHFFFAOYSA-N 444.447 4.377 5 20 IIBD CCOC(=O)c1cc(C(=O)N2C[C@H](c3ccccc3Cl)OC[C@H]2C)cc([N+](=O)[O-])c1 521930350 KPFNOCQLNRFCIA-BFUOFWGJSA-N 432.860 4.027 5 20 IIBD Cc1ccc(C[C@@H](NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)c2ccccn2)cc1 522397036 GPSXFFOQQXNBRT-JOCHJYFZSA-N 428.448 4.266 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3cc(F)cc4c3OCOC4)cc2[N+](=O)[O-])C1 523268893 WHARALVSKNMDRQ-HUUCEWRRSA-N 443.475 4.013 5 20 IIBD CC(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1[N+](=O)[O-] 525885201 ZKVGHANLMNTIJR-UHFFFAOYSA-N 446.510 4.228 5 20 IIBD COc1cccc(C[C@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 533006717 FRBPCJFGUOWPCY-CQSZACIVSA-N 444.431 4.018 5 20 IIBD Cn1c(C2CC2)nc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)ccc21 534060084 MSXODAISCMNNSR-UHFFFAOYSA-N 440.403 4.179 5 20 IIBD Cc1cn2c(CN(C)C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)c(C)nc2s1 534791177 SAZYVFFBJYBCEW-UHFFFAOYSA-N 427.511 4.317 5 20 IIBD CO[C@@H]1CCCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)C1 535760172 ABNDINRVHUFKIO-APWZRJJASA-N 448.317 4.148 5 20 IIBD COC(=O)[C@@H]1CC12CCN(Cc1cn(-c3ccccc3)nc1-c1ccc([N+](=O)[O-])cc1)CC2 536671082 WOJJIBMJBBVSST-QFIPXVFZSA-N 446.507 4.223 5 20 IIBD COc1cc([C@@H](C)NCCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cc(OC)c1OC 538126897 SICXGDKIDOQBCT-CQSZACIVSA-N 427.457 4.169 5 20 IIBD CCCc1cnc(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)s1 538482664 GYJFLMCBVOACAO-UHFFFAOYSA-N 446.510 4.057 5 20 IIBD CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 539896802 PXRARUHERCVBLF-GOSISDBHSA-N 432.885 4.469 5 20 IIBD COc1cc(CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)ccc1OCC(F)(F)F 543473773 MVPMYLWYYXAKEE-LLVKDONJSA-N 430.354 4.104 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 544072839 BSRYPLIHNGMFBW-UHFFFAOYSA-N 439.468 4.395 5 20 IIBD Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 551767809 FUDHROODHAJODD-PZJWPPBQSA-N 439.512 4.176 5 20 IIBD COc1cc(OC)cc(C2(F)CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)CC2)c1 554984549 IXHBATSOMDXINA-UHFFFAOYSA-N 430.476 4.377 5 20 IIBD COc1ccc(CN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C(C)(C)C)cc1 565896596 OHWXYIAHTKDJGM-UHFFFAOYSA-N 441.484 4.119 5 20 IIBD C[C@H](Nc1ccc(-c2nc(-c3ccc4nn[nH]c4c3)no2)cc1[N+](=O)[O-])c1ccccn1 568344430 QUADWHQLVSYLGF-LBPRGKRZSA-N 428.412 4.151 5 20 IIBD COc1ccc(C[C@H]2CCCN(C(=O)c3cc(SC)c(OC)cc3[N+](=O)[O-])C2)cc1 569163887 PEFFKKRXFAXUBS-MRXNPFEDSA-N 430.526 4.429 5 20 IIBD Cc1ccc(NC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1[N+](=O)[O-] 603642976 JLMSRINGMHUGKU-UHFFFAOYSA-N 443.813 4.325 5 20 IIBD Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 603667806 OQLUSVFWVGESSX-IBGZPJMESA-N 444.944 4.178 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 603702513 BPRFDDHLWANOFL-GRJOEGEGSA-N 441.487 4.255 5 20 IIBD CCOc1cc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)c([N+](=O)[O-])cc1OCC 603753718 SBOLLXPACNCOOQ-UHFFFAOYSA-N 430.848 4.484 5 20 IIBD COc1ccc(CNC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1[N+](=O)[O-] 604105774 YOTIADDGISOQJR-HNNXBMFYSA-N 426.498 4.302 5 20 IIBD COCCSc1ccc([C@H](C)NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cc1 609549376 ICWJATBUKRDRFE-ZDUSSCGKSA-N 427.482 4.078 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)cc1[N+](=O)[O-] 609658178 STRAMRXOQISOCW-NDEPHWFRSA-N 430.507 4.012 5 20 IIBD O=C(CNc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)Nc1cccc(C(=O)NC2CC2)c1 609765131 LOBFSRAILRKUIX-UHFFFAOYSA-N 446.463 4.330 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1nc2ccccc2n1CCCn1ccnc1 609785754 NTLQUSUTKRQFJT-UHFFFAOYSA-N 438.875 4.066 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1c(F)cc(Cl)cc1F 611371836 CSWVYXPSUGMAFT-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD COc1ccc(C(=O)NCC(=O)N(C2CC2)[C@H](C)c2ccc3ccccc3c2)cc1[N+](=O)[O-] 611820284 LOZMWSJNQYTLFY-MRXNPFEDSA-N 447.491 4.239 5 20 IIBD O=[N+]([O-])c1ccccc1-n1ccc(-c2nc(Cc3ccc(Oc4ncccn4)cc3)no2)n1 612919873 HVBDEMDGHPDAJY-UHFFFAOYSA-N 441.407 4.004 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(F)c1I 619790212 ZRZKXISAUNZUNS-UHFFFAOYSA-N 443.216 4.045 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](c2ccccc2Br)C1 725728190 GHSWJLOATLUOPL-KRWDZBQOSA-N 437.315 4.050 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1csc(-c2c(F)cccc2F)n1 726220937 ZVDVLNCJHCRMMB-UHFFFAOYSA-N 434.376 4.220 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)OCCOc2ccc3ccccc3c2)ccc1[N+](=O)[O-] 726673549 CPUYLDDWQRWNBA-QHCPKHFHSA-N 448.475 4.283 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN(C(=O)OC(C)(C)C)Cc2ccccc21 728054278 GHTKJNPJTSXOKF-UHFFFAOYSA-N 440.500 4.099 5 20 IIBD COC(=O)c1oc2ccccc2c1COC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] 728651533 XRESNJATMABQHD-UHFFFAOYSA-N 431.422 4.215 5 20 IIBD O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1cc(C2CC2)nn1-c1ccccc1 729192067 GILVCRNLPUTVAL-UHFFFAOYSA-N 447.495 4.126 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)c([N+](=O)[O-])c2)cc1 730108653 HUNAUUJCQAHFGT-GOSISDBHSA-N 440.500 4.259 5 20 IIBD O=C(COC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)Nc1ccc(F)c([N+](=O)[O-])c1 730616299 ZZKXAACWNVAZPL-OLZOCXBDSA-N 427.215 4.326 5 20 IIBD CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)OCCOc1cccc([N+](=O)[O-])c1)O[C@H](C)C2 730658731 YXIGKTHSYCYNRE-HEFCMCLBSA-N 427.453 4.043 5 20 IIBD O=C(OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1ccc(Oc2cccnc2)cc1 730708507 OTSCQOAKJXSLKU-SFHVURJKSA-N 447.447 4.244 5 20 IIBD O=Cc1ccc(OCC(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)c([N+](=O)[O-])c1 731636677 GFTPBPPXTRDEDA-RUZDIDTESA-N 446.459 4.017 5 20 IIBD C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)Sc1ccc(Br)cc1 731654866 WUBGSLJCYMEKDW-SNVBAGLBSA-N 440.275 4.176 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)O[C@@H]1CCN(c2ccccc2Cl)C1=O 732322565 MZRMICONGKCPQJ-JOCHJYFZSA-N 446.890 4.157 5 20 IIBD Cc1cc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])n(-c2ccc([N+](=O)[O-])cc2)n1 734995712 SFCFUJUMAYOMEM-UHFFFAOYSA-N 445.819 4.058 5 20 IIBD Cc1ccccc1[C@H](C)NC(=O)[C@H](C)OC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 735147577 GNIULVFMWWHJBS-GJZGRUSLSA-N 434.876 4.135 5 20 IIBD Cc1ccccc1[C@H]1C[C@@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 738395140 VNEWKMONSKHJHN-KGLIPLIRSA-N 439.331 4.232 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)c1cnc2ccsc2c1)c1cccc([N+](=O)[O-])c1 742050956 MTRMZKFYWQAYFQ-QGZVFWFLSA-N 439.493 4.446 5 20 IIBD CCOc1cc(C(=O)OCc2ccccc2NC(=O)c2ccco2)c([N+](=O)[O-])cc1OC 744251072 ZYKZRCNMOOCYPA-UHFFFAOYSA-N 440.408 4.204 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[C@@H]1C[C@]12CCc1ccccc12 744353842 HNCOBNPRDVJERZ-RDPSFJRHSA-N 432.480 4.286 5 20 IIBD O=C(c1cc2ccccc2c2cccnc12)N1CCn2c(CCc3ccccc3)nnc2C1 744598731 GQBHRLFZGWARAP-UHFFFAOYSA-N 433.515 4.421 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccn(Cc3ccccn3)n2)cc1 748668768 LZTUVRUJWIQBRP-UHFFFAOYSA-N 445.435 4.288 5 20 IIBD O=C(NCc1ccc(NC(=O)c2cccnc2)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 748988603 DYEQGJGOOAEHMM-UHFFFAOYSA-N 425.832 4.217 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3occc3Br)CC2)ccc1[N+](=O)[O-] 751848468 OOMAACZCFRITKF-UHFFFAOYSA-N 439.262 4.175 5 20 IIBD Cc1ccc([C@H](C)NC(=O)Nc2cc3c(cc2Br)OCCO3)cc1[N+](=O)[O-] 752623266 YLLVBHDLSOWRNM-NSHDSACASA-N 436.262 4.320 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCSC[C@@H]1c1ccccc1 755010312 AXBJLQRNFAXBML-OAHLLOKOSA-N 425.279 4.427 5 20 IIBD COc1ccc(NC(=O)c2cc(Br)nn2-c2ccc(C)cc2)c([N+](=O)[O-])c1 755122091 KQPLKANSAKTQAM-UHFFFAOYSA-N 431.246 4.112 5 20 IIBD COC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)c1cccc(C(F)(F)F)c1 758395796 ZZYJKRKJEWACJC-CYBMUJFWSA-N 447.207 4.494 5 20 IIBD COc1cc(C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)sc1Br 760541316 DQEYZQMQVKVMFT-UHFFFAOYSA-N 439.243 4.439 5 20 IIBD Cc1c(C(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 760834709 HQUDMFSQXALGEM-IBGZPJMESA-N 426.816 4.379 5 20 IIBD CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cccc([N+](=O)[O-])c1Br 760850243 NZNYXMWPXCBZQF-GFCCVEGCSA-N 444.326 4.171 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc(N3CCOC3=O)cc2)no1 761739570 OGXNLUPKJLQDFD-LLVKDONJSA-N 430.804 4.395 5 20 IIBD CC(=O)c1ccc(Cl)c(NC(=O)c2ccc(I)c([N+](=O)[O-])c2)c1 762346389 DWNJDELSCHCSEV-UHFFFAOYSA-N 444.612 4.308 5 20 IIBD COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1C 767296438 PPQAMLUCFYWCCQ-UHFFFAOYSA-N 433.269 4.106 5 20 IIBD Cc1c(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 768348223 PRAMBFCDRXIDQW-UHFFFAOYSA-N 442.472 4.237 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)C1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 769309832 FXJJFTZRAMQCHN-MRXNPFEDSA-N 443.548 4.121 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(Cc1ccccc1)CC1CCOCC1 769900914 XKLGVADQOHJJHP-UHFFFAOYSA-N 438.933 4.174 5 20 IIBD CSc1ccccc1CC(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 777168771 JNSBELZRFCGVQU-LLVKDONJSA-N 442.415 4.448 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Nc2ccccc2)cc1[N+](=O)[O-] 777644496 GSMMTWNAGGVTCS-UHFFFAOYSA-N 442.453 4.318 5 20 IIBD O=C(O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)c1csc(Cc2ccc(F)cc2)n1 778789189 VOOCFFCDIWXGSW-SFHVURJKSA-N 427.457 4.217 5 20 IIBD O=C(COC(=O)c1cccc(Br)c1Cl)Nc1cc(Cl)ccc1[N+](=O)[O-] 780129372 NHKOAUSQOSWUHC-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD O=C(Nc1cccc(N2CCOC2=O)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 780336438 GRTHWNJHLUBJIX-UHFFFAOYSA-N 435.386 4.168 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 791228584 HFLFZWBVHUOZMX-RMKNXTFCSA-N 436.386 4.017 5 20 IIBD O=C(COC(=O)c1occc1CSc1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1 792737462 PXDXBKQWUGGMGC-UHFFFAOYSA-N 430.413 4.415 5 20 IIBD O=C(COC(=O)c1cc(-c2cccnc2)nc2ccccc12)Nc1ccccc1[N+](=O)[O-] 793109995 JRNLOTAAFCHZPE-UHFFFAOYSA-N 428.404 4.001 5 20 IIBD C[C@H](OC(=O)[C@H]1Cc2ccc(F)cc21)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 796071085 DYDCGTRPTZWSTH-GTNSWQLSSA-N 441.440 4.068 5 20 IIBD CCCc1[nH]nc(C(=O)OCC(=O)Nc2ccccc2Oc2ccc(C)cc2)c1[N+](=O)[O-] 796269353 XNSLKPBXUOUAAJ-UHFFFAOYSA-N 438.440 4.167 5 20 IIBD Cc1cc(NC(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)ccc1[N+](=O)[O-] 797639807 CFKQLUHORYJLLH-GOSISDBHSA-N 426.473 4.074 5 20 IIBD O=C(NC[C@H](O)c1c(F)cccc1F)c1ccccc1Sc1ccccc1[N+](=O)[O-] 799693565 GIJNSTURTJOMJJ-KRWDZBQOSA-N 430.432 4.488 5 20 IIBD Cc1nn(-c2ccccc2)c(Cl)c1C[S@](=O)CCC(=O)Nc1ccccc1[N+](=O)[O-] 800721682 CPODSPUMSXCFLS-SSEXGKCCSA-N 446.916 4.020 5 20 IIBD O=c1oc2cc(Br)c(F)cc2n1Cc1ccc(Br)c([N+](=O)[O-])c1 800837531 MDNGYZOZNRDRKO-UHFFFAOYSA-N 446.026 4.215 5 20 IIBD COc1cccc(CCC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c1F 803248807 YPDYCAGVUPFLFW-UHFFFAOYSA-N 437.265 4.023 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cnn(-c2ccc(C(F)(F)F)cc2)c1 803873725 ZSTQCIGHBVSWJS-UHFFFAOYSA-N 449.341 4.023 5 20 IIBD CC(C)(C(=O)OCc1ccc([N+](=O)[O-])cc1Cl)S(=O)(=O)c1ccc(Cl)cc1 805703891 CYRKTSMVBMIOFT-UHFFFAOYSA-N 432.281 4.197 5 20 IIBD CC[C@@H](C)N[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1ccco1 807679780 JUEMEPRYLALNFO-ZWNOBZJWSA-N 444.713 4.463 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 808725542 WAPRGLQADXUQSY-WGSAOQKQSA-N 446.592 4.484 5 20 IIBD Cn1nccc1-c1ccc(F)cc1OS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 809841383 HHUCAFGRNHNPAQ-UHFFFAOYSA-N 446.243 4.209 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cc(C(F)(F)F)cc(Cl)n1 811232165 YYSSCQIAIDLXRG-UHFFFAOYSA-N 428.710 4.069 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCC[C@](CO)(Cc2ccccc2)C1 812715524 KHDMPCAZMNENEK-VWLOTQADSA-N 437.540 4.043 5 20 IIBD COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813249505 NIGIZUAUZMHYGR-BXUZGUMPSA-N 425.268 4.052 5 20 IIBD CC(C)(C)OC(=O)N1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c2ccccc21 813280713 DHKHGZMIKCVODT-UHFFFAOYSA-N 436.468 4.407 5 20 IIBD Cn1c(SCc2cc([N+](=O)[O-])ccc2C(F)(F)F)nc2cc([N+](=O)[O-])ccc2c1=O 814761084 FTESJQBGTHEOID-UHFFFAOYSA-N 440.359 4.061 5 20 IIBD COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 916828667 IRICWGWDYMSLAK-UHFFFAOYSA-N 436.380 4.016 5 20 IIBD C[C@@H](c1ccc(F)c(F)c1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 917870223 PLTSVSFJPRAAAZ-VIFPVBQESA-N 435.246 4.017 5 20 IIBD CN(Cc1csc2ccccc12)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 917897939 JZVGVWFMWDWCAL-UHFFFAOYSA-N 441.328 4.393 5 20 IIBD Cc1ccccc1N1C(=O)/C(=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)c2ccccc2C1=O 920396963 FIVCSUPMEQMGJS-XDHOZWIPSA-N 442.427 4.402 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)c1nnc(-c2ccc(Br)s2)o1 1117221644 IMAOGPBKSOPWDD-QMMMGPOBSA-N 427.284 4.074 5 20 IIBD CNC(=O)Cc1ccccc1NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 1319289175 BLKBHUBCXFUQBZ-UHFFFAOYSA-N 441.491 4.348 5 20 IIBD O=C(c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)N1CCCC[C@@H]1CO 1321592744 FUFHGVKRXCMILW-CQSZACIVSA-N 429.523 4.343 5 20 IIBD Cc1ccc(-c2nnc(N3CCc4ccc([N+](=O)[O-])cc4C3)n2C[C@H]2CCOC2)c(C)c1 1346325937 GLECJPBABPXXKJ-GOSISDBHSA-N 433.512 4.069 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)NC1(c2ccc(NC(=O)c3cnco3)cc2)CCC1 1786527116 GJVYPDAQTAYMHY-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)CCC2)cc1)c1ccc(O)cc1 1790308459 GQDPRDILKNAWAH-UHFFFAOYSA-N 447.447 4.068 5 20 IIBD Cc1ccc(C)c(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2cccc([N+](=O)[O-])c2)c1 1793944252 OWYJISQGAHVZBL-NUNAXRQHSA-N 449.551 4.025 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C3CC3)cc2)[nH]n1)c1ccc([N+](=O)[O-])o1 1814312176 XZUOTDRBWRSTSR-SFHVURJKSA-N 449.467 4.408 5 20 IIBD C/C=C/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1824842532 JVOXEBSETIEONR-NFBQHBFUSA-N 439.556 4.279 5 20 IIBD Cc1ccc(Cl)c(OCC(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 9447635 LWYOGJWBRRYEPB-NSHDSACASA-N 427.240 4.159 5 20 IIBD CCCCn1c(S[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nc2ccccc2c1=O 21737622 QGNWAJIYILLOQL-CQSZACIVSA-N 426.498 4.224 5 20 IIBD O=C(OCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)c1ccc([N+](=O)[O-])s1 23545987 KNQQYQBCUUAFTN-GFCCVEGCSA-N 447.519 4.314 5 20 IIBD COc1cc(C(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)c([N+](=O)[O-])cc1OC 59851711 NHPHODGKPSBETN-UHFFFAOYSA-N 441.484 4.269 5 20 IIBD COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)CCn1cc([N+](=O)[O-])nc1C 61194662 WROMABYWJHNOBB-UHFFFAOYSA-N 428.420 4.377 5 20 IIBD C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(Cc2ccc(OCc3ccc(F)cc3)cc2)C1=O 63537276 VVQVSRSGLONKLR-DEOSSOPVSA-N 449.438 4.280 5 20 IIBD CC[C@H]1CCCN(C(=O)c2ccccc2NS(=O)(=O)c2cc(C)c(C)c([N+](=O)[O-])c2)C1 63782283 HFGHLUBREYAWCY-KRWDZBQOSA-N 445.541 4.275 5 20 IIBD Cc1c(C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 69200760 IVUNLDMAEWBTEN-CQSZACIVSA-N 442.453 4.247 5 20 IIBD Cc1ccc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1NC(=O)c1ccccc1 106062690 QSDMCGWQCXXUNU-UHFFFAOYSA-N 444.491 4.118 5 20 IIBD Nc1c(C(=O)NCc2ccccc2-c2ccc(Cn3cccn3)cc2)cc(F)cc1[N+](=O)[O-] 110686264 OJZRTXZDDKRQFG-UHFFFAOYSA-N 445.454 4.158 5 20 IIBD O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cc(Br)ccc3OC(F)F)C2)nc1 112656684 ZBBQJVZHSJINMG-CYBMUJFWSA-N 443.248 4.040 5 20 IIBD COc1ccc([C@H](C)Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])cc1Br 301078733 IPSSRDVIYXIAML-NSHDSACASA-N 434.290 4.431 5 20 IIBD C[C@@H](NC1(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CCCC1)c1ccccc1 303418420 XDKGYLSQSLLULF-GOSISDBHSA-N 433.512 4.174 5 20 IIBD CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)NCCNc2ccccc2[N+](=O)[O-])c1 303957789 YBOSQQPCBWZDBQ-UHFFFAOYSA-N 432.908 4.465 5 20 IIBD COc1cc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)ccc1OCc1cccs1 425999691 DXCFMOCYHAACKA-UHFFFAOYSA-N 428.514 4.278 5 20 IIBD Cc1noc(C[C@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c2ccccc2)n1 426277028 JVDPNKAGRZTFNA-KRWDZBQOSA-N 449.389 4.088 5 20 IIBD Cc1ccccc1[C@@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)C(C)(C)C 430535969 GHPOFBHDPGRRCG-OAQYLSRUSA-N 425.485 4.495 5 20 IIBD O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1 431098626 GXYISUPGRJBQNA-UHFFFAOYSA-N 449.916 4.141 5 20 IIBD O=C(c1cc(N2CCC3(CCN(Cc4ccccc4)CC3)C2)ccc1[N+](=O)[O-])N1CCCC1 431482118 JMFQVMFVTKOBGD-UHFFFAOYSA-N 448.567 4.323 5 20 IIBD CN(CCc1ccc(Br)cc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 431926824 OJGBLSVVSYPSRI-UHFFFAOYSA-N 442.107 4.435 5 20 IIBD CCCN(C(=O)c1ccccc1NS(=O)(=O)c1c([N+](=O)[O-])ccc(C)c1C)C(C)C 433607646 IHLCBAURLCEOFA-UHFFFAOYSA-N 433.530 4.273 5 20 IIBD CC(C)c1[nH]nc(C(=O)NC[C@H](c2ccccc2)N2CCc3sccc3C2)c1[N+](=O)[O-] 433828671 OAEWLMWIKZOOHC-QGZVFWFLSA-N 439.541 4.032 5 20 IIBD COc1ccc([C@@H](CNC(=O)c2ccc(O)c([N+](=O)[O-])c2)c2c[nH]c3ccccc23)cc1 436632902 FBHIKAKRTTUGBX-LJQANCHMSA-N 431.448 4.352 5 20 IIBD Cc1ccc(-c2ncccc2NC(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)s1 437048649 DVOXNOKKRTYOPM-UHFFFAOYSA-N 436.493 4.156 5 20 IIBD CN1CCC2(CC1)C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1O2 437920322 PUZHAKZAXBIKDP-GOSISDBHSA-N 449.429 4.332 5 20 IIBD O=C(N[C@@H]1CCN(c2ccccc2OC(F)F)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437981453 BWVZSHILNCCIET-MRXNPFEDSA-N 446.454 4.149 5 20 IIBD O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)Nc1cc(C(F)(F)F)ccc1NCc1ccccc1 438937088 XENKEKJXJYNPKY-UHFFFAOYSA-N 446.385 4.026 5 20 IIBD Cc1cc(I)cnc1NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 439152325 JKBWRKSCVWONKD-UHFFFAOYSA-N 425.226 4.279 5 20 IIBD CCc1nnc(-c2cccc(NC(=O)CSCc3ccc(OC)c([N+](=O)[O-])c3)c2)o1 440595010 DOQZLBCGKPUDJT-UHFFFAOYSA-N 428.470 4.088 5 20 IIBD C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)Oc1ccc(F)cc1 444093398 AULKQDIOTCPNSX-GFCCVEGCSA-N 426.394 4.296 5 20 IIBD CN(CCC1CCN(c2ccncc2)CC1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 444291949 MULVIOGESMFGEA-UHFFFAOYSA-N 440.547 4.455 5 20 IIBD Cc1cccc(NC(=O)Cc2noc(-c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)n2)c1 445318754 KBPDNZDPQORRKZ-UHFFFAOYSA-N 435.484 4.371 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OC3CCC3)c(F)c2)c(Br)c1 447008339 UYCYLNGKHVJSSV-UHFFFAOYSA-N 445.266 4.229 5 20 IIBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccc(Br)c2c1OCCC2 447185917 SYIVZJDEUQITHR-UHFFFAOYSA-N 449.257 4.096 5 20 IIBD C[C@H]1CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC2(CCOCC2)O1 447973309 BPCGHICNWVTYFL-INIZCTEOSA-N 427.457 4.189 5 20 IIBD C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 462580716 PJVDLQCTTGIOLE-VBKZILBWSA-N 437.525 4.318 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)[C@@H]1SCCc2ccccc21)c1ccccc1[N+](=O)[O-] 463445273 UKIOUSDDOPDURF-WIYYLYMNSA-N 428.510 4.124 5 20 IIBD CCO[C@@H](C)c1noc(CN(C)C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)n1 464030829 VJOVUECCXNRMSG-AWEZNQCLSA-N 425.445 4.091 5 20 IIBD Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)CCn1cc([N+](=O)[O-])nc1C 464222893 VWPUDSGGPHIHBS-UHFFFAOYSA-N 441.875 4.343 5 20 IIBD CCOc1cc(Cl)ccc1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 468965800 KTVYQQHNEDTJOY-UHFFFAOYSA-N 433.877 4.179 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3C[C@H](c4ccsc4)O[C@H](C)C3)cc2)c(C)c1[N+](=O)[O-] 470738966 WXSCIDWQDZSAFK-JLTOFOAXSA-N 440.525 4.120 5 20 IIBD CCc1c(C)sc2nc(Sc3cc(C)c([N+](=O)[O-])cn3)n(C[C@H]3CCCO3)c(=O)c12 470865378 GTEOMQBEKYJICA-CYBMUJFWSA-N 446.554 4.271 5 20 IIBD NC(=O)c1ccc(N[C@@H](Cc2ccccn2)c2ccc(Br)cc2)c([N+](=O)[O-])c1 473718097 XZNKMHHGXUHLOK-SFHVURJKSA-N 441.285 4.247 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1 475635754 RHNICSHECSOBRF-HDICACEKSA-N 426.517 4.143 5 20 IIBD NC(=O)c1ccc(CSCc2ccc(OCc3ccccc3F)nc2)c([N+](=O)[O-])c1 478670968 DDRGWPFGVRDCRO-UHFFFAOYSA-N 427.457 4.240 5 20 IIBD COc1cc(C(=O)Nc2cnn(-c3ccccc3Br)c2)cc([N+](=O)[O-])c1C 479394939 GSBNLDGHSLKMSF-UHFFFAOYSA-N 431.246 4.112 5 20 IIBD Cc1cc(NC(=O)N2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)ccc1[N+](=O)[O-] 481119484 VZNKLIRULUELKT-HNNXBMFYSA-N 429.452 4.108 5 20 IIBD O=C(NCCCNC(=O)C1CCC1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 481996734 BOWYTYPECVFXPB-UHFFFAOYSA-N 431.876 4.077 5 20 IIBD CCS[C@H](C)c1noc(CN(C)C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)n1 482754370 JTFDXQRCPIJTIW-OAHLLOKOSA-N 447.561 4.300 5 20 IIBD C[C@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccc(NC(=O)Nc2ccccc2)cc1 485441566 XMABOFRMNQAAQN-AWEZNQCLSA-N 448.435 4.459 5 20 IIBD COc1cccc(OC)c1OC1CCN(C(=O)c2cccc(SC)c2[N+](=O)[O-])CC1 485764747 SARSZCCETJCTRX-UHFFFAOYSA-N 432.498 4.018 5 20 IIBD Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3SCC(C)C)C2)n1 486857512 YXTQMYUZGKSTAM-QGZVFWFLSA-N 431.562 4.104 5 20 IIBD C[C@@H](c1ccccc1)N1CCC(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 487069604 FRTSIPQFKFHRRH-INIZCTEOSA-N 430.936 4.316 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC2(CC1)OCCc1ccsc12 487992451 LLIJSGURBZBOJH-UHFFFAOYSA-N 435.933 4.126 5 20 IIBD O=C(Nc1ccc(OC(F)F)c2ncccc12)c1ccn(-c2ccccc2[N+](=O)[O-])n1 488377926 SUFQXOYISSPQMH-UHFFFAOYSA-N 425.351 4.182 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nnc(-c2cccc(Cl)c2)n1C 488929953 KHCKKKQPFFCYHQ-UHFFFAOYSA-N 447.904 4.173 5 20 IIBD O=[N+]([O-])c1cc(CN[C@@H](c2ccccc2OC(F)F)C(F)(F)F)c2c(c1)COCO2 491270745 JZIJYHINXPBVLL-INIZCTEOSA-N 434.317 4.456 5 20 IIBD COc1cc(C(=O)NCCSc2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC(F)F 497524130 UEUKALYSFOKHHE-UHFFFAOYSA-N 432.832 4.380 5 20 IIBD CCOc1cc(NC(=O)C(=O)N(C)[C@H](c2ccccc2)C(C)C)c([N+](=O)[O-])cc1OCC 497617582 RFFJTVIFDNECIT-NRFANRHFSA-N 443.500 4.186 5 20 IIBD CC(C)c1ccc([C@@H](NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 498329711 LHRLKXPRJMSINL-QFIPXVFZSA-N 426.517 4.031 5 20 IIBD O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1 498871846 AHLCQPGSMWDLFU-SFHVURJKSA-N 436.859 4.492 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(NC(=O)c2ccoc2)c1 499648700 JQUVWQIXNPZFPQ-LBPRGKRZSA-N 429.816 4.500 5 20 IIBD O=[N+]([O-])c1cccc(-c2ccc(CN3CCOC[C@@H]3c3noc(-c4ccccc4)n3)o2)c1 501701063 AMRKFVCGBMNZNX-HXUWFJFHSA-N 432.436 4.478 5 20 IIBD CCNc1ccc(C(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)cc1[N+](=O)[O-] 501929666 SHPRFYOEIYSEEU-UHFFFAOYSA-N 436.443 4.348 5 20 IIBD CC(C)n1c([C@H]2CCCN2S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)nc2ccccc21 503461340 RMRHGHJVVPYGNJ-OAQYLSRUSA-N 442.541 4.235 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nnc(N(C)C)o2)cc1 503652314 AGIZUIXTHYSRQB-UHFFFAOYSA-N 427.486 4.465 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCCc2cc(Br)cc(F)c21 504492341 FAGIHWWSBOCCLF-UHFFFAOYSA-N 449.685 4.291 5 20 IIBD O=c1c(Cl)c(N[C@H](c2ccccc2)[C@@H]2CCCO2)cnn1-c1ccc([N+](=O)[O-])cc1 505777635 ONAXEOIUWCDYJC-AZUAARDMSA-N 426.860 4.126 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)cc1[N+](=O)[O-])c1ccccn1 505992112 PDIVCWOQFNTARO-HTAPYJJXSA-N 449.511 4.323 5 20 IIBD CN(C[C@@H]1OCCc2ccccc21)C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 506318619 SFQBEAOSPZORJF-IBGZPJMESA-N 437.418 4.188 5 20 IIBD COc1ccc(Br)cc1[C@H]1CCCN1C(=O)NCc1ccccc1[N+](=O)[O-] 510180408 IUOFMSTWJSFUMB-QGZVFWFLSA-N 434.290 4.413 5 20 IIBD Cc1ccc(SCCNC(=O)c2ccc([N+](=O)[O-])cc2I)cc1 510868664 UEMNPRMHMXHFRB-UHFFFAOYSA-N 442.278 4.030 5 20 IIBD O=C(NC[C@H]1CCCSC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 510991744 RHJOBNPLZCCWEZ-GFCCVEGCSA-N 437.568 4.005 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1-c1nc(Cc2ccc(F)cc2)no1 511150342 IEDONXZGOIMOHH-UHFFFAOYSA-N 439.184 4.288 5 20 IIBD Cc1ccccc1-n1ncc(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c1C(F)(F)F 512973664 PGKKZYVDIHVGIX-UHFFFAOYSA-N 432.402 4.422 5 20 IIBD COc1ccc(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2Cl)cc1[N+](=O)[O-] 514337269 RSZQAEDWNUNAMM-UHFFFAOYSA-N 441.875 4.494 5 20 IIBD COCCOc1cc(C)ccc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 516009556 QIWURZYTGCYXOE-UHFFFAOYSA-N 427.501 4.417 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1ccccc1OCCc1ccccc1)c1cccc([N+](=O)[O-])c1 516443226 RRIAMDYONUIIKI-QGZVFWFLSA-N 433.464 4.032 5 20 IIBD O=C(CCOc1ccc(Cl)cc1Br)N1CCc2ccc([N+](=O)[O-])cc21 519137280 MFJYSTPNUDOBPP-UHFFFAOYSA-N 425.666 4.369 5 20 IIBD O=C(NCCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(Br)cc1 520201833 STRRFFDHRMENHY-UHFFFAOYSA-N 444.285 4.137 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NC(C)(C)c2ccc(Br)cc2)cc1OC 520652379 WBAHRUUBJMNXME-UHFFFAOYSA-N 437.290 4.430 5 20 IIBD CCN(CC)C(=O)CCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 521172741 BVQWFOMWHHOXAK-UHFFFAOYSA-N 438.322 4.356 5 20 IIBD Cc1cccc(CN(Cc2ccccn2)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1 524700422 FCZOVCBFVDDVSD-UHFFFAOYSA-N 427.464 4.327 5 20 IIBD CN(C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1cccc([N+](=O)[O-])c1 533604389 VBSVDFQXUSEKAZ-UHFFFAOYSA-N 435.402 4.129 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1O 533972425 CRSZDQXKLHXCNX-UHFFFAOYSA-N 432.411 4.473 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(C[S@@](=O)Cc3noc(-c4ccc(Cl)cc4)n3)co2)cc1 534061013 ZCEBJJNNOJCLEX-SSEXGKCCSA-N 444.856 4.402 5 20 IIBD COc1ccc(C[C@H](C)CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1OC 535681997 USRSEMPNGOIHHE-SFHVURJKSA-N 444.531 4.167 5 20 IIBD Cc1sc(NC(=O)CCCn2c(=O)oc3ccccc32)nc1-c1cccc([N+](=O)[O-])c1 536013782 NQBVHKNZTKRDKC-UHFFFAOYSA-N 438.465 4.354 5 20 IIBD Cn1cc(CNc2ccc(Cc3nnc4ccccn34)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 536103376 PEEJEGDNVFIXEK-UHFFFAOYSA-N 439.479 4.241 5 20 IIBD CCO[C@H](C)c1nc(CN2CCN(C(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)CC2)cs1 538765152 AWDSTAMIDCIHNH-QGZVFWFLSA-N 446.573 4.032 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(=O)n(Cc2ccccc2Cl)c1 540899880 SDSNESKDEFZKMN-UHFFFAOYSA-N 446.290 4.084 5 20 IIBD CCCCOc1ccc(C(=O)N2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)cc1 541843909 QBKLCVZPTZRLBC-UHFFFAOYSA-N 437.500 4.003 5 20 IIBD C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2cccc(F)c2)no1 542191978 AWXSSTDJLKLVDA-SNVBAGLBSA-N 436.852 4.407 5 20 IIBD C[C@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccccc2)no1 542383037 BVCQOFNDSPXXNV-GFCCVEGCSA-N 432.889 4.310 5 20 IIBD Cc1cnc([C@@H](C)CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)s1 542570909 URUGVCQPAFDFMI-DZGCQCFKSA-N 425.514 4.461 5 20 IIBD C[C@H](C(=O)NC(C)(C)COc1ncccc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1F 543458317 VRVSZFVKQIXUPZ-NSHDSACASA-N 429.370 4.225 5 20 IIBD COc1ccc(CSCc2nc(-c3ccc(Cn4cccn4)cc3)no2)cc1[N+](=O)[O-] 545040465 BDNUIPNZQCNGJO-UHFFFAOYSA-N 437.481 4.332 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC(Oc2cccc(Br)c2)CC1 546104564 PEWYKSWRXMMPKU-UHFFFAOYSA-N 448.317 4.148 5 20 IIBD COCC[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1)c1ccc(Cl)c(Cl)c1 551333006 SFHPUIBCEQEQMI-INIZCTEOSA-N 443.283 4.183 5 20 IIBD O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 551427289 DLUANBQTUDJCEN-OAHLLOKOSA-N 441.793 4.192 5 20 IIBD CCOc1cc(Cl)ccc1CNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 551435095 OLLQCKUGRSXTJA-UHFFFAOYSA-N 433.892 4.199 5 20 IIBD CCOc1c(Cl)cc(CN[C@@H](c2ccc([N+](=O)[O-])cc2)c2nccn2C)cc1OC 552240057 OVBBVPYPVAGEQH-IBGZPJMESA-N 430.892 4.268 5 20 IIBD CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 568611260 QLGYEJYCTQNNJQ-UHFFFAOYSA-N 442.337 4.453 5 20 IIBD CC1(C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H]1c1cccs1 575012683 ULEZZRLNFKQPGT-CQSZACIVSA-N 431.333 4.191 5 20 IIBD C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)c1cccc([N+](=O)[O-])c1 577697536 RVCQDMFVRCLAHU-PXAZEXFGSA-N 436.295 4.317 5 20 IIBD CCOc1cc(Br)c(F)cc1NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 577717761 LSUSQMRKTBCURT-UHFFFAOYSA-N 427.226 4.085 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1ccccc1)Cc1ccc(OC)cc1 577922927 LQNYVVYVSFXCCO-UHFFFAOYSA-N 447.491 4.333 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)cc1[N+](=O)[O-] 582931400 MPWFUWQDKHAMPT-BETUJISGSA-N 443.451 4.068 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1 587520166 DFRIIYQBANXDME-UHFFFAOYSA-N 440.359 4.273 5 20 IIBD Cc1c(C(=O)N[C@H](C)c2ccc(Oc3cccnc3)cc2)nnn1-c1cccc([N+](=O)[O-])c1 588799151 YTGDCKDRFXPUMK-OAHLLOKOSA-N 444.451 4.162 5 20 IIBD Cc1cc(Cc2noc([C@@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)n2)ccc1Br 589377539 ZOBIGCGMPCYCCO-GFCCVEGCSA-N 445.273 4.131 5 20 IIBD O=[N+]([O-])c1cc(I)ccc1NC[C@H](c1ccco1)N1CCCC1 603838703 BUXQBDWVOVBCDO-OAHLLOKOSA-N 427.242 4.041 5 20 IIBD Cc1sc(NC(=O)CCc2nc(O)c3ccccc3n2)nc1-c1cccc([N+](=O)[O-])c1 603997078 QKEZAPRPTDHKKL-UHFFFAOYSA-N 435.465 4.247 5 20 IIBD CN(C(=O)Cc1ccc(NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1)c1ccccc1 604010421 HGHHGMMVCVRBQI-UHFFFAOYSA-N 443.463 4.462 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)CCCc1cc(-c2ccc(F)cc2)no1 608782693 QUTPVISGHNVYHV-UHFFFAOYSA-N 442.447 4.172 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N(C)Cc2ccc3ccccc3c2)ccc1[N+](=O)[O-] 608803772 ZARCSTMXOCYROA-HSZRJFAPSA-N 431.492 4.320 5 20 IIBD COC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c(OC(F)F)c1 609509821 DRFYXQDLKDOFOL-JTQLQIEISA-N 426.397 4.102 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609761863 FCPSSJXYKLBKOO-CQSZACIVSA-N 448.479 4.281 5 20 IIBD Cc1ccc(C)c(NC(=O)[C@H](C)SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c1 609770613 DFFIQZAQTKYCHH-HNNXBMFYSA-N 429.498 4.270 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N(c1cccc(F)c1)C1CCOCC1 610110687 ITOCHZGQAOKQSJ-UHFFFAOYSA-N 427.476 4.163 5 20 IIBD COc1cc(CCNC(=O)c2ccccc2OC2CCCCC2)c([N+](=O)[O-])cc1OC 610195680 XQMBXSOOXHBFBZ-UHFFFAOYSA-N 428.485 4.296 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCc2[nH]c3c(Br)cccc3c2C1 610666422 VZDKFKWWJZDRJB-UHFFFAOYSA-N 428.286 4.356 5 20 IIBD CC(C)(C)OC(=O)c1cccc(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 611437091 VHNKPIYNXSXWGN-UHFFFAOYSA-N 425.485 4.424 5 20 IIBD COc1cc(CN2CCC[C@](OC)(C(F)(F)F)C2)c([N+](=O)[O-])cc1OCC(F)(F)F 615141167 DPDMPOJOEJYVQY-OAHLLOKOSA-N 446.344 4.088 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)n(C)n1)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 725788910 OLKFNVHUPRNYKH-UHFFFAOYSA-N 437.475 4.088 5 20 IIBD COc1ccc(CN(C(=O)COc2cccc([N+](=O)[O-])c2)c2ccc3nc(C)[nH]c3c2)cc1 726878668 SIKWGZLDPINHHP-UHFFFAOYSA-N 446.463 4.400 5 20 IIBD CCOc1c(Cl)cc(C(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1OC 729191673 BTHJLWDQGSRRAP-UHFFFAOYSA-N 449.891 4.124 5 20 IIBD O=C(NC[C@@H](O)c1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 730840676 XPZZSFJSIJJJKE-LJQANCHMSA-N 437.418 4.067 5 20 IIBD Cc1cc(F)cc2c1N(C(=O)c1ccc(I)c([N+](=O)[O-])c1)CCC2 731329607 BTWDQZYLNIACSE-UHFFFAOYSA-N 440.212 4.240 5 20 IIBD COc1ccc2cc(CN(C)c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])ccc2c1 731918489 OHVYMSKZLOTXAN-UHFFFAOYSA-N 436.436 4.389 5 20 IIBD COc1cc(-c2nc(COC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)cs2)ccc1O 733451988 TYCYWCCBXCIAFF-UHFFFAOYSA-N 445.409 4.006 5 20 IIBD O=C(Oc1cccc(NC(=O)c2ccco2)c1)c1ccc(Br)c([N+](=O)[O-])c1 734330754 QGYFQJJAJKHTNX-UHFFFAOYSA-N 431.198 4.422 5 20 IIBD COc1ccc(-c2nn(CN3CCc4ccc([N+](=O)[O-])cc43)c(=O)c3ccccc23)cc1 734472785 BJNJMUMARACEOS-UHFFFAOYSA-N 428.448 4.001 5 20 IIBD O=C(OC1CCN(c2ccc(Cl)cn2)CC1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 735219589 MYYHBDFIYOSJBH-UHFFFAOYSA-N 444.919 4.459 5 20 IIBD O=C(COC(=O)c1cccc(Oc2nccs2)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 736917347 DYGLXCNXQSMJJD-UHFFFAOYSA-N 433.829 4.293 5 20 IIBD C[C@H](OC(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)c1cccc([N+](=O)[O-])c1 741534743 JVBTYBAHNPJVEV-MAUKXSAKSA-N 443.525 4.151 5 20 IIBD COc1ccc(Oc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3F)cn2)cc1 742032571 YGCURVZVVTYOMB-UHFFFAOYSA-N 433.417 4.039 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])cc1 742891205 ZXXKETHLNPSTSD-OAHLLOKOSA-N 428.489 4.255 5 20 IIBD CSc1ccc(-c2nsc(NC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)cc1 743781579 XGXWBICXQPZRGQ-UHFFFAOYSA-N 431.455 4.304 5 20 IIBD C[C@H](CC(=O)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1C(F)(F)F 745221918 IYWVOVZEKUDBJH-CYBMUJFWSA-N 436.386 4.240 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)NCCC(c2ccccc2)c2ccccc2)c1 745388814 WAKSRHZKXYPDBZ-UHFFFAOYSA-N 432.476 4.398 5 20 IIBD C[C@H](NC(=O)COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1Cl 745564768 FQHZPRPLUCUEHU-JTQLQIEISA-N 430.766 4.301 5 20 IIBD COc1ccc(N2C(=O)C3(CCCC3)N[C@H]2c2cc(Cl)ccc2[N+](=O)[O-])cc1OC 747439434 AIFUISIWMZKRCJ-LJQANCHMSA-N 431.876 4.213 5 20 IIBD O=C1C[C@@H](Nc2ccc(OCc3ccccc3F)cc2)C(=O)N1c1cccc([N+](=O)[O-])c1 747458705 RQXQNGNYSXEEMF-OAQYLSRUSA-N 435.411 4.057 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 751055466 UGMWLBLKVSVNHN-UHFFFAOYSA-N 425.328 4.114 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cc1[N+](=O)[O-] 752235671 UJDMZJAEXFFNBJ-CYBMUJFWSA-N 435.889 4.266 5 20 IIBD COC(=O)c1cccc(-c2nc(COC(=O)c3cc(F)cc(C)c3[N+](=O)[O-])cs2)c1 752557252 NKODUNATUKSZKM-UHFFFAOYSA-N 430.413 4.309 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])O[C@@H]([C@H]1CCCO1)C(F)(F)F 757556181 MJJSDMKWMVXHGJ-OCCSQVGLSA-N 430.301 4.069 5 20 IIBD Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] 760025926 BQAJWWZMNNKHAC-GOSISDBHSA-N 433.940 4.209 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1I)N1CCCc2c(F)ccc(F)c21 760781495 HLDQZTXOBMOFJM-UHFFFAOYSA-N 444.175 4.071 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-n2ccnc2S)c1 763613436 RIAGRMBRANEYOR-UHFFFAOYSA-N 430.511 4.060 5 20 IIBD CC(C)N(Cc1ccccc1F)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 765172238 WFGCQEDCUSJXHX-UHFFFAOYSA-N 431.283 4.096 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)C1CCN(C(=O)/C=C/c2ccccc2)CC1 765860111 NUTKAGMBTVHJGB-DHZHZOJOSA-N 430.464 4.034 5 20 IIBD CCS[C@@H](C)c1noc(CN2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)n1 766048723 CSUJADRIDPSNRF-LBPRGKRZSA-N 445.467 4.133 5 20 IIBD C[C@@H](c1ccccn1)N(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccc(N(C)C)cc1 766602438 HKJPOJJKMGXGFG-HNNXBMFYSA-N 434.452 4.193 5 20 IIBD Cc1cn(-c2ccccc2Cl)nc1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 767065224 JQQXDTICNQCOCS-UHFFFAOYSA-N 449.250 4.191 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NNc1c(Cl)cc(F)cc1Cl 768049289 LZFGMIADHYJYNP-UHFFFAOYSA-N 428.656 4.308 5 20 IIBD CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 768162524 NQWUJIORGLUDEB-UHFFFAOYSA-N 440.544 4.015 5 20 IIBD CCOc1nc(C(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)co1 771952098 VPGUXPMIXSTSEQ-UHFFFAOYSA-N 431.788 4.106 5 20 IIBD O=C(COC(=O)c1cnc(Cc2ccccc2F)s1)Nc1cc([N+](=O)[O-])ccc1Cl 772827434 WJWHMPPOFIITQW-UHFFFAOYSA-N 449.847 4.230 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)Cc1sc(N)nc1-c1ccccc1 775877076 RVTSUEIEJLIUQJ-UHFFFAOYSA-N 427.482 4.374 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1 778171970 RBMNBYDAQCLRIE-QWHCGFSZSA-N 432.379 4.242 5 20 IIBD CN(C(=O)c1ccc(C(=O)O[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)cc1)c1ccccc1 778792939 RQQSUNARPYJXSM-HSZRJFAPSA-N 445.475 4.307 5 20 IIBD COc1cc(COC(=O)[C@@H]2C[C@H]2c2sccc2C)c([N+](=O)[O-])cc1OCC(F)F 780075365 ODJQMSMPFULHEK-CHWSQXEVSA-N 427.425 4.464 5 20 IIBD Cc1nnc(N(CCC(C)C)C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c2ccccc12 781805494 DIFLIYMXZPQVQH-QFIPXVFZSA-N 447.495 4.419 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])c(F)c1)c1nn(-c2ccc(F)cc2)cc1Br 783709746 FSOFECJCUPOFPQ-UHFFFAOYSA-N 438.184 4.178 5 20 IIBD NC(=O)c1ccc(COC(=O)CCN2c3ccccc3Sc3ccccc32)c([N+](=O)[O-])c1 784698275 LXUVQSXFVBVOHI-UHFFFAOYSA-N 449.488 4.430 5 20 IIBD Cc1ccc(CCN(Cc2ccco2)C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 785027641 REVWAOWURUPVQR-UHFFFAOYSA-N 441.871 4.360 5 20 IIBD COc1cc(CS(=O)(=O)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])cc1OC(F)F 788517992 FBHBQZFDMLFWDY-UHFFFAOYSA-N 441.330 4.198 5 20 IIBD COc1ccccc1OCC(=O)Nc1cccc(N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 788705120 SHQWCEBLONTTSR-HNNXBMFYSA-N 436.468 4.376 5 20 IIBD CN(C)CC1CCN(c2ccccc2NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 791783402 HKLZCERCZTXVCK-UHFFFAOYSA-N 432.471 4.103 5 20 IIBD CCc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 792474418 UNKNISJBYXJBNI-LBPRGKRZSA-N 435.274 4.412 5 20 IIBD CC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1nc(C(F)(F)F)cs1 795866842 LBAQJWQFHARIFY-MRVPVSSYSA-N 447.819 4.292 5 20 IIBD O=C(NC[C@@H]1CCCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1)OCc1ccccc1 797220426 WIBUDHYQCDDADO-INIZCTEOSA-N 431.876 4.027 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1cc(S(=O)(=O)C2CCCC2)ccc1F 797477708 WVQYPUZMQPFWCZ-UHFFFAOYSA-N 441.864 4.461 5 20 IIBD O=C(CCN(Cc1ccccc1)C[C@@H](O)c1cccs1)Nc1ccccc1[N+](=O)[O-] 800350751 JSSXYSBBSMVRNE-HXUWFJFHSA-N 425.510 4.221 5 20 IIBD CCOc1cc(Br)c(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)cc1OCC 801836896 DPXJRGPDANPKKZ-UHFFFAOYSA-N 442.241 4.128 5 20 IIBD CC[C@H](c1ccccc1OC)N(C)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 805144652 GKZVEPIIMKJCEU-CQSZACIVSA-N 443.319 4.138 5 20 IIBD Cc1c(Br)cc(C(=O)OCC(=O)c2ccc(C(F)(F)F)cn2)cc1[N+](=O)[O-] 805513283 OXLMYIJHONALTF-UHFFFAOYSA-N 447.163 4.119 5 20 IIBD C[C@H](NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)c1ccc(Oc2cccnc2)cc1 807899510 SYAXLYUKEQAIQT-NYHFZMIOSA-N 432.436 4.153 5 20 IIBD CN([C@H]1CC[C@@H](C(F)(F)F)CC1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 808347281 HOCPZEVUPBVBDT-JGZJWPJOSA-N 445.257 4.099 5 20 IIBD Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 810589840 WUKQHFKHFKTGQL-UHFFFAOYSA-N 444.753 4.170 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2Cl)cc1)c1ccc(F)cc1 811831735 GFYGRAGAJFXWGI-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 813878145 KUIMVYYIAITUKQ-WMZOPIPTSA-N 446.548 4.224 5 20 IIBD Cc1cc(Cl)c(C(=O)O[C@H](C)C(=O)Nc2ccccc2OC(F)F)cc1[N+](=O)[O-] 815405424 VRCSBIMOUOALQI-SNVBAGLBSA-N 428.775 4.342 5 20 IIBD Cc1nn(-c2ccccc2)c(Cl)c1C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 855151758 QZGJWJVGCXCLLB-AWEZNQCLSA-N 442.859 4.235 5 20 IIBD O=C(COC(=O)CCOc1ccccc1Cl)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 914966464 DOIGMAGVSXIGIA-UHFFFAOYSA-N 446.765 4.218 5 20 IIBD Cc1ccc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)Nc1ccccc1 915599407 APFQLJVYTODCLH-UVTDQMKNSA-N 437.477 4.356 5 20 IIBD COc1ccccc1[C@H](CNc1ccc(C(C)=O)cc1[N+](=O)[O-])NC(=O)OC(C)(C)C 917088416 HYORRWDLIWZHPM-SFHVURJKSA-N 429.473 4.484 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)c1nnnn1-c1ccccc1 918872427 NBYKAEIEIWLNFL-INIZCTEOSA-N 444.451 4.101 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cc(-c2ccc(Cl)cc2)[nH]n1 918932436 KURBVCNYHICRHZ-UHFFFAOYSA-N 425.788 4.045 5 20 IIBD COc1cc(F)c(S(=O)(=O)Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])cc1OC 920317410 OIVLJPLHIXYJNG-UHFFFAOYSA-N 433.413 4.186 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1Oc1ccccc1S(=O)(=O)C(F)(F)F 1116138747 FNZTUFGBGSPKHK-UHFFFAOYSA-N 426.166 4.443 5 20 IIBD COc1ccc(CSCC(=O)N2CC(Cc3c(F)cccc3Cl)C2)cc1[N+](=O)[O-] 1116232991 KETSUDWHSPUXEV-UHFFFAOYSA-N 438.908 4.330 5 20 IIBD COc1ccccc1Nc1nn(CN2CCc3ccc([N+](=O)[O-])cc3C2)c(=S)s1 1252821283 AZVHUXOIIXTGON-UHFFFAOYSA-N 429.527 4.350 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1nc(-c2ccccc2)oc1C(C)C 1320013770 PCKIAVCIXCADMF-UHFFFAOYSA-N 439.424 4.177 5 20 IIBD O=c1oc2cc([N+](=O)[O-])ccc2n1CCCc1nnc(Cc2ccc3ccccc3c2)o1 1326232794 POXUOXFLUGOIEC-UHFFFAOYSA-N 430.420 4.263 5 20 IIBD CC(C)CCC(=O)NC1(c2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2)CCC1 1790624184 YWKYPYLVUDRLAF-UHFFFAOYSA-N 425.485 4.484 5 20 IIBD O=C(/C=C/C1CCCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc([N+](=O)[O-])c1 1800523393 CMMUKAUYYVLJFE-BQBAOMCESA-N 429.492 4.122 5 20 IIBD CCCCC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc(C)c([N+](=O)[O-])c1)C2 1801715063 PZMMJVYKDQEYOY-WJMWBRGCSA-N 429.561 4.300 5 20 IIBD C/C(=C\c1ccc(C)o1)C(=O)N1CCC2(CCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)CC1 1804649954 GPDPKWZWENXJEW-JQIJEIRASA-N 441.484 4.038 5 20 IIBD CC(C)(C)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2F)n[nH]1 1821051424 KFPMMQHEVVFKFX-KRWDZBQOSA-N 431.468 4.199 5 20 IIBD CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)[nH]n2)CCCCC1 1822329771 RDDMJUFFOQMOEP-HNNXBMFYSA-N 429.477 4.187 5 20 IIBD Cc1ccc(CC(=O)N2CCCC23CN(C(=O)c2oc4ccccc4c2C)C3)cc1[N+](=O)[O-] 1845205345 UYIYLUITQKWVSE-UHFFFAOYSA-N 447.491 4.018 5 20 IIBD CC(C)(C)CCCCCC(=O)N1CC2(CCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 1845473778 FKMSDVCURWQPAE-UHFFFAOYSA-N 431.533 4.114 5 20 IIBD Cc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 12213001 JQVCRTABZGMBDU-OAHLLOKOSA-N 448.545 4.267 5 20 IIBD O=C(NCc1nnc2n1CCCCC2)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 14485267 MUQXCOBEWFDERK-UHFFFAOYSA-N 441.875 4.288 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1C 15408320 GVMVDPDLUORSBD-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)CCc2ccc(-c3ccccc3)o2)c([N+](=O)[O-])c1 17015988 XADZZGNTJJZYRY-OAHLLOKOSA-N 438.436 4.366 5 20 IIBD Cc1nn(Cc2ccc(C(=O)O[C@H](C)C(=O)c3ccc(F)cc3)cc2)c(C)c1[N+](=O)[O-] 17159386 AMSGVIHMNQSCJD-OAHLLOKOSA-N 425.416 4.024 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1ccc(OC(F)(F)F)cc1 20822391 DFMFHKRELSPUOW-VIFPVBQESA-N 432.738 4.331 5 20 IIBD COc1cc(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc(OC)c1OC 28873756 XGAMGZHPBZDIJM-JTQLQIEISA-N 443.378 4.079 5 20 IIBD COc1ccc([C@H](C)NC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1F 29676504 OBYWYEPNGDWTSY-NSHDSACASA-N 444.385 4.234 5 20 IIBD CCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])sc(C(C)=O)c1C 31707960 SPFNHPFYONQUPN-UHFFFAOYSA-N 440.861 4.015 5 20 IIBD Cc1cc(C(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)c(C)n1CCC1=CCCCC1 58076262 ANOAMGWESWHNTH-UHFFFAOYSA-N 434.496 4.496 5 20 IIBD COc1cc([C@@H](C)NC(=O)NCc2cccc([N+](=O)[O-])c2)ccc1OCc1ccncc1 63069612 WYKGCRONHAHQJR-MRXNPFEDSA-N 436.468 4.138 5 20 IIBD Cc1cc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n(-c2ccc([N+](=O)[O-])cc2)n1 105529325 CYZIZKWUYTVGSX-CYBMUJFWSA-N 427.442 4.116 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSc1nnc(-c2cccs2)n1C1CC1 261457406 RQPWMKGVPHYTBP-UHFFFAOYSA-N 443.510 4.340 5 20 IIBD O=c1c(Cl)c(NCc2ccccc2Br)cnn1-c1ccc([N+](=O)[O-])cc1 301179508 MOYOJTMIGCQJOR-UHFFFAOYSA-N 435.665 4.169 5 20 IIBD Cc1ccc(C(=O)Nc2cccc(CNc3ccc([N+](=O)[O-])cc3S(C)(=O)=O)c2)cc1 302680913 WTMFZGSCCRQCAW-UHFFFAOYSA-N 439.493 4.171 5 20 IIBD O=C(c1cc(Cl)ccc1F)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 302763261 GROZVRQFOLIYSR-UHFFFAOYSA-N 431.773 4.369 5 20 IIBD C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 303766387 PUIXJFSKDVMKCU-KNQAVFIVSA-N 436.556 4.320 5 20 IIBD O=C(NCc1ccnc(OCc2ccccc2)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 426257878 RRUVXXSUWBPFRU-UHFFFAOYSA-N 432.480 4.443 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(Br)ccc1Br 427172982 ULQGBLHCUUKRBB-UHFFFAOYSA-N 430.052 4.381 5 20 IIBD COC(=O)[C@H]1CCCCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 427195985 CZFGFPULUHASSI-OAHLLOKOSA-N 448.859 4.217 5 20 IIBD CC[C@@]1(CO)CCCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 428515938 LBSRWMPYBYSMDP-RUZDIDTESA-N 448.523 4.001 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O 429174413 YOMMAIONXZKPQT-ISKFKSNPSA-N 443.519 4.428 5 20 IIBD CC(C)Oc1ccc(N(C)C(=O)c2ccc([N+](=O)[O-])cc2I)cc1 429565451 APGAGJDFHSSASV-UHFFFAOYSA-N 440.237 4.263 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@@H](C)c2cc3ccccc3o2)cc(Br)cc1[N+](=O)[O-] 430308461 TVUQYJDEVYGFOK-NSHDSACASA-N 446.257 4.228 5 20 IIBD Cc1ccc([C@H](C)N(C)C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc1 430324953 WGCVSARJBQCGNX-ZDUSSCGKSA-N 434.290 4.132 5 20 IIBD Cc1cnc(C2CCN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])CC2)s1 432316107 USWIEKKHUNHRLD-UHFFFAOYSA-N 436.342 4.235 5 20 IIBD CC(C)c1ccc([C@H](NC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)C(C)C)cc1 435665237 XQGJGICIIBJCPW-HSZRJFAPSA-N 437.496 4.499 5 20 IIBD O=C(NCc1ccc(OC(F)F)cc1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 435823362 BPPHSIJIDYLXBH-UHFFFAOYSA-N 430.357 4.491 5 20 IIBD C[C@@H](NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1ccc2c(c1)OCCO2 435838870 YSBPJHWQPGPSAQ-GFCCVEGCSA-N 436.414 4.222 5 20 IIBD CCOc1cc(-c2noc([C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)ccc1O 436870078 OABWWEPCIYOSQS-KRWDZBQOSA-N 438.440 4.035 5 20 IIBD CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccc(O)c([N+](=O)[O-])c1 436961414 UAXJRTPMSQEURD-UHFFFAOYSA-N 426.448 4.315 5 20 IIBD CCN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@@H](Cc1ccc(F)cc1)C(C)C 437098752 PIDAXRMHZCDNDY-NRFANRHFSA-N 425.464 4.044 5 20 IIBD CN(C)CCc1ccccc1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 438554598 ATDWCBUMWJMWEL-UHFFFAOYSA-N 427.448 4.449 5 20 IIBD C[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 438701809 PMSXTIHTEBIYMN-KXBFYZLASA-N 434.949 4.001 5 20 IIBD CC(C)c1ccc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)cc1[N+](=O)[O-] 438961778 SBPIDCDGDBTLIX-UHFFFAOYSA-N 433.867 4.109 5 20 IIBD C[C@H]1CSc2ccccc2N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 439145020 YJNIYLMGMLWWQZ-JTQLQIEISA-N 429.317 4.047 5 20 IIBD Cc1ccc(Cl)c(N(Cc2ncc[nH]2)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1 440887301 LKYWHLFAUNQISK-UHFFFAOYSA-N 436.859 4.312 5 20 IIBD C[C@H]1CN(CCCCNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C[C@@H](C)O1 443666127 DFFNCCGXUUXUAI-HDICACEKSA-N 443.569 4.365 5 20 IIBD CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 443955023 FOOJXLPAWSHJHA-HNNXBMFYSA-N 444.454 4.256 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 444245130 KGLITDOBXHFSDB-QKKBWIMNSA-N 437.490 4.048 5 20 IIBD COc1cc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)ccc1F 445004295 GCVBYFJVRYXABA-UHFFFAOYSA-N 442.369 4.115 5 20 IIBD COc1ccc([C@@H]2CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2Br)c(OC)c1 445713877 KPTFIZQYAJNJOO-SFHVURJKSA-N 449.301 4.281 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 446911504 SHXMONUQLPGPCD-UHFFFAOYSA-N 433.390 4.364 5 20 IIBD CC(=O)c1cc(Br)c(F)cc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 446942693 UBGNDXLSCYMHSV-UHFFFAOYSA-N 426.194 4.145 5 20 IIBD CC(C)OC(=O)C[C@H]1CCCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 447670483 JSIFWTPVVOKUBD-LLVKDONJSA-N 425.354 4.202 5 20 IIBD CCc1c(NCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cnn1-c1cccc(Cl)c1 447888544 DCUICXPKIVKQQF-UHFFFAOYSA-N 429.864 4.056 5 20 IIBD COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cn1 448102434 KPAQBSVKUFZAQE-LLVKDONJSA-N 445.419 4.153 5 20 IIBD COc1cc(C(=O)Nc2cncnc2N(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 460468148 MJFHEMBYLHJILI-UHFFFAOYSA-N 443.847 4.157 5 20 IIBD Cc1ccc(C(=O)N2CCSCC2)cc1NCc1cc([N+](=O)[O-])ccc1OC(C)C 462222562 GHQYTJCFAWEUFW-UHFFFAOYSA-N 429.542 4.492 5 20 IIBD O=C(Nc1ccc(I)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 463240240 MCONIJQDJDJKEA-UHFFFAOYSA-N 436.127 4.471 5 20 IIBD Cc1ccc([C@@H](NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c2cccc(S(C)(=O)=O)c2)cc1 464373499 CYIWCNWOIPLHHC-JOCHJYFZSA-N 438.505 4.135 5 20 IIBD CCCN(Cc1ccccc1Br)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 465034568 KDMNLIQBWCPXMD-UHFFFAOYSA-N 449.301 4.110 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 465589937 CRNQBXSUJCSTQQ-OAQYLSRUSA-N 447.470 4.367 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1csc(-c2ccc3c(c2)OCCO3)n1 466519281 POTFJUHVOZZUKG-UHFFFAOYSA-N 427.438 4.141 5 20 IIBD CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 466743206 KBIIQIPGLLAWKK-UHFFFAOYSA-N 425.876 4.438 5 20 IIBD COC(=O)c1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3n2C(C)C)cc([N+](=O)[O-])c1 467500748 GAPLLAJTKNEBJX-FQEVSTJZSA-N 436.468 4.289 5 20 IIBD O=C(Nc1cc2c(cc1Br)CCC2)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 468151132 WQKIBNOVYZREGM-UHFFFAOYSA-N 427.258 4.284 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC(CCC(C)C)CC1 470240546 WDQVMNNDYCNNGK-FQEVSTJZSA-N 435.590 4.121 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(F)c(Br)cc2C)cc1OC 471552397 SNHYKEDOZFXRHZ-UHFFFAOYSA-N 427.226 4.464 5 20 IIBD COc1ccc2c(c1)nc(CNC(=O)c1ccc(NCc3ccccc3)c([N+](=O)[O-])c1)n2C 471629468 PNBUEMLTPSWTIW-UHFFFAOYSA-N 445.479 4.032 5 20 IIBD COc1cccc(C=C2CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3OC)CC2)c1 473007654 ABBCLHUDGOCDQB-UHFFFAOYSA-N 425.485 4.120 5 20 IIBD Cn1c(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)nc2cccc(Cl)c21 475689920 JYJWCIQECPNULT-UHFFFAOYSA-N 427.873 4.188 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 477005083 QRFITJFNOYEANH-INIZCTEOSA-N 448.888 4.214 5 20 IIBD CCC(=O)[C@H]1CCCCN1C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 477620699 WGCDBBKVIDBULG-JOCHJYFZSA-N 446.507 4.350 5 20 IIBD O=C(CN1CCCC[C@H]1c1ncc(-c2ccccc2)[nH]1)N1CCc2cc([N+](=O)[O-])ccc21 477638039 IFGIMNYLQFWWPL-QFIPXVFZSA-N 431.496 4.101 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSCCCc1nc(-c2ccccc2)no1 479510039 HWVHEQMJYRTGIA-UHFFFAOYSA-N 440.481 4.309 5 20 IIBD COc1cccc(C(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c2cccc(OC)c2)c1 480354445 HIJCADNNLZNZJR-UHFFFAOYSA-N 445.475 4.473 5 20 IIBD CN(C(=O)CN[C@H](c1cc(F)cc(Br)c1)C1CC1)c1ccc([N+](=O)[O-])cc1 481740557 VZCTYZSUILDAFC-IBGZPJMESA-N 436.281 4.200 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)cc1SC 481931668 NYLCYLZPDGRDPD-GOSISDBHSA-N 446.916 4.232 5 20 IIBD CC(C)(C(=O)Nc1nc2ccccc2n1CCc1ccccn1)c1ccc([N+](=O)[O-])cc1 482177010 KHDFBODWBFNFPA-UHFFFAOYSA-N 429.480 4.499 5 20 IIBD COc1ccc(CN(CCc2ccccn2)Cc2cc(OC)c(F)cc2[N+](=O)[O-])cc1 483070410 NBDKHCRLYDQJEI-UHFFFAOYSA-N 425.460 4.391 5 20 IIBD O=C(Nc1cc(F)c(F)cc1N1CCCCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 484897026 ABQQBIGKNTXOSF-UHFFFAOYSA-N 427.411 4.301 5 20 IIBD CCC[C@@](C)(NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1)C(=O)O 485719545 UWEGLVXVLSLUMT-HXUWFJFHSA-N 436.848 4.422 5 20 IIBD O=C(c1ccc(Cl)cc1)N1CCC[C@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 486131685 FWQKUXOIGMYKIM-SFHVURJKSA-N 441.915 4.292 5 20 IIBD O=C(NCc1ccnc(Oc2ccccc2F)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 487690302 MAIVLWDKZPMTAM-UHFFFAOYSA-N 433.399 4.037 5 20 IIBD CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3C)o2)c([N+](=O)[O-])c1 488814088 HFCNBCJUMFTAQC-UHFFFAOYSA-N 428.470 4.391 5 20 IIBD CCn1c(SCc2nnc(Cc3ccccc3C)o2)nnc1-c1ccc([N+](=O)[O-])cc1 489399157 YYSZNCWEDUQSLZ-UHFFFAOYSA-N 436.497 4.448 5 20 IIBD CCOc1cc2c(cc1OCC)CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC2 489661901 ZFUVQESIRGFZNL-UHFFFAOYSA-N 427.501 4.088 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC(c2nc(-c3ccccc3Br)no2)CC1 490120557 PXNUZBSJBDZCSI-UHFFFAOYSA-N 447.245 4.020 5 20 IIBD COc1cc(CNc2cccc(C(=O)N3CCCC3)c2)c([N+](=O)[O-])cc1OCC(F)F 490435441 QOYCCRFMYLFQPO-UHFFFAOYSA-N 435.427 4.095 5 20 IIBD C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1ccc(-c2ccncc2)cc1 491255692 OEAIRUMYLSIEMB-MRXNPFEDSA-N 428.448 4.461 5 20 IIBD CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 492634489 XCYXDDSEQFHMPE-MRXNPFEDSA-N 431.455 4.006 5 20 IIBD Cc1cc(C(=O)NC(C)C)ccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 492712015 RLOPEFRQEOLVIT-UHFFFAOYSA-N 427.504 4.240 5 20 IIBD COc1cc(N[C@@H]2CCCN(C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)C2)cc(OC)c1 494020184 XNNIDXBHYDDHOO-MRXNPFEDSA-N 428.489 4.337 5 20 IIBD O=C(CCC(=O)c1cccs1)CCC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 498153236 NMMSFZYMMWWWSQ-HXUWFJFHSA-N 432.523 4.243 5 20 IIBD O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1 498238098 RKYGWCSHIXDNRF-LJQANCHMSA-N 434.431 4.368 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1(Cc2ccc(F)cc2)CCOCC1 499214666 PNTVUURXPMEFFI-CQSZACIVSA-N 436.867 4.063 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCC2(N[C@H](C)c3ccccc3)CCCC2)cc1OC 499931216 PHHSIQHOFPAGAA-QGZVFWFLSA-N 441.528 4.396 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccnc(OC2CCCCC2)c1 503489578 PWBGOZFSUOYPEL-AWEZNQCLSA-N 433.892 4.438 5 20 IIBD COCCCN(Cc1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1cc(Cl)ccc1Cl 506783712 RMGILCPLXIEGST-UHFFFAOYSA-N 447.340 4.437 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 507909273 QKFIAEYWEZPRPE-LBPRGKRZSA-N 426.775 4.359 5 20 IIBD COCc1nc(CN2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)cs1 509366082 MXGQKTFQXQYFCF-UHFFFAOYSA-N 444.582 4.244 5 20 IIBD COc1ccc(C)cc1C1(CNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])CCOCC1 511710565 STGDHIHPOPJFHI-UHFFFAOYSA-N 441.528 4.210 5 20 IIBD COc1ccc(NC(=O)CN[C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 511877759 IBJLMRFNDWIOFC-DLBZAZTESA-N 437.418 4.487 5 20 IIBD COc1cc(-c2ccccc2)ccc1CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 512751334 XVBPTZIVHTZDJT-UHFFFAOYSA-N 437.521 4.290 5 20 IIBD COc1ccc(CNC(=O)CSc2nccn2-c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] 516536512 YAUFZPSWZBMLNC-UHFFFAOYSA-N 440.525 4.321 5 20 IIBD COC(=O)c1nc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)sc1C(C)C 517201359 DUIXNEZMSPUGBS-UHFFFAOYSA-N 442.291 4.285 5 20 IIBD O=[N+]([O-])c1ccc(OCCSc2nnc(CN3CCCCC3)n2-c2ccccc2)cc1 519989910 WSEKRZVNXRBZCY-UHFFFAOYSA-N 439.541 4.333 5 20 IIBD O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 520098149 LUJLVGKUCNKZCV-UHFFFAOYSA-N 429.889 4.041 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1c(C)nn(-c2ccccc2C)c1C 520898665 OHQJPGQDMWOVMX-UHFFFAOYSA-N 442.541 4.089 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@@H](c1ccccc1Cl)N1CCCC1 520975017 DSJMLRLUGFWUHN-NRFANRHFSA-N 426.904 4.156 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)cc1[N+](=O)[O-] 522651801 KZXMPSYXYOBXKA-NDEPHWFRSA-N 436.555 4.285 5 20 IIBD COCCNc1ccc(CNC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc1 522759232 PFYFOTTXURWEJL-ROUUACIJSA-N 440.544 4.065 5 20 IIBD O=C(Nc1cccc(Cl)c1)N1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 523718001 RERAVUQNSKHAFO-UHFFFAOYSA-N 442.859 4.374 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)NCCCOC3CCOCC3)cc2[N+](=O)[O-])cc1 524645176 HXPZUNHTVVXNQM-UHFFFAOYSA-N 430.526 4.370 5 20 IIBD COc1cc(C(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)cc([N+](=O)[O-])c1OC 525022483 YFPGOFCGMJFPHC-UHFFFAOYSA-N 441.484 4.269 5 20 IIBD COC(=O)[C@H](c1ccccc1)N(C)C(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 525688848 XQMMFFPEZCGNSS-JKSBSHDWSA-N 439.512 4.063 5 20 IIBD CCc1nc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3SCCC(=O)OC)ccc2o1 534230527 LXWXUNSBRXFEJX-UHFFFAOYSA-N 429.454 4.206 5 20 IIBD Cc1cccc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)c1Cl 534382564 ZRIFJJAQIGWNBQ-UHFFFAOYSA-N 437.886 4.098 5 20 IIBD C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cc(I)cc([N+](=O)[O-])c1 535742482 QVEDFDPBRCUGKA-PXAZEXFGSA-N 436.249 4.218 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CS(=O)(=O)Cc3ccccc3C(F)(F)F)co2)cc1 536305520 SNKCQJXNEKSTCQ-UHFFFAOYSA-N 426.372 4.384 5 20 IIBD COc1ccc(NC(=O)CSc2ccccc2[N+](=O)[O-])cc1OCc1cccnc1 541294820 UXJYHUOJNRFIIL-UHFFFAOYSA-N 425.466 4.308 5 20 IIBD CCS[C@H](C)c1noc(CN(C)C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])n1 543153942 RIZXLDJANAVKHB-SNVBAGLBSA-N 430.939 4.196 5 20 IIBD O=C(Nc1cccc(Cl)c1)N1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 544677674 NDTUHIMAHOZRHW-UHFFFAOYSA-N 435.843 4.159 5 20 IIBD COc1ccc(-c2ccc(CN3CCC([C@@](C)(O)C(F)(F)F)CC3)o2)c([N+](=O)[O-])c1 545952248 KBCRQSZCBQFXEP-LJQANCHMSA-N 428.407 4.389 5 20 IIBD COC(=O)C[C@](C)(NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1cccc(OC)c1 549609825 BSOHAFWDPJARAE-IBGZPJMESA-N 426.391 4.190 5 20 IIBD COc1ccc(CSCC(=O)N2CC[C@](F)(c3cc(F)cc(F)c3)C2)cc1[N+](=O)[O-] 551699004 XOIPLSIAPDLHEG-HXUWFJFHSA-N 440.443 4.212 5 20 IIBD COc1ccccc1O[C@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 553257775 PBDRELUGJRGIPV-SFHVURJKSA-N 428.488 4.374 5 20 IIBD Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1 553830361 OHQORKLIODNYJP-DHIUTWEWSA-N 437.540 4.137 5 20 IIBD CC(C)C[C@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)c1cccs1 556512588 JXYHILMPDAMPCX-AWEZNQCLSA-N 440.319 4.261 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1 557225795 NISSYCLRYXNMHI-IRXDYDNUSA-N 433.430 4.208 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CN[C@@H]2CCOC3(CCCCC3)C2)c1 568332782 RCIHINVGRIUAQQ-OAHLLOKOSA-N 430.286 4.171 5 20 IIBD C[C@H](C(=O)Nc1cc(NC(=O)CN2CCCC[C@H]2C)ccc1F)c1cccc([N+](=O)[O-])c1 577333287 KEMYEVBOOIDJIX-CVEARBPZSA-N 442.491 4.289 5 20 IIBD COc1ccc(NC(=O)C(=O)N(CC(C)C)[C@@H](C)c2ccccc2Cl)cc1[N+](=O)[O-] 579504103 BEXVWOLWHCVTEM-AWEZNQCLSA-N 433.892 4.441 5 20 IIBD COc1cccc(Oc2ccc(CN[C@H](c3ccc([N+](=O)[O-])cc3)c3nccn3C)cn2)c1 579863709 KKYPITNPIVDTIY-HSZRJFAPSA-N 445.479 4.403 5 20 IIBD O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1cc2c(cc1[N+](=O)[O-])OCCO2 585710523 ZYXZEBDKKWWHAY-UHFFFAOYSA-N 431.857 4.319 5 20 IIBD Cc1cc(C)nc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n1 585711407 XYCQMCFAJILNNC-UHFFFAOYSA-N 428.452 4.036 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)ccc1[N+](=O)[O-] 589116104 BVKWOSGUMJSENJ-JZXOWHBKSA-N 441.450 4.087 5 20 IIBD Cc1cc(OCc2nc(Cc3cn4cc(Cl)cc(Cl)c4n3)no2)ccc1[N+](=O)[O-] 589118893 FIDJZQKBESLFLK-UHFFFAOYSA-N 434.239 4.411 5 20 IIBD Cc1c(NC(=O)C(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)cccc1[N+](=O)[O-] 603702621 PAGHXGIAFKABCK-FERLNZQHSA-N 441.487 4.255 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCCN(c4ccccc4)CC3)cc2[N+](=O)[O-])C1 604009020 PUVKIYRKWFROLE-WOJBJXKFSA-N 436.556 4.430 5 20 IIBD C[C@H](NC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl)c1cccc([N+](=O)[O-])c1 604127163 DALPGPSXWIKMKI-JTQLQIEISA-N 431.802 4.134 5 20 IIBD Cc1nn(CCC(=O)N(Cc2cc(Br)ccc2F)C(C)C)c(C)c1[N+](=O)[O-] 608803970 IDKWQMZVLJUBOO-UHFFFAOYSA-N 441.301 4.137 5 20 IIBD O=C(Nc1ccccc1NC(=O)c1cccs1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 608808842 IAAMASBHWCNTKF-UHFFFAOYSA-N 433.449 4.347 5 20 IIBD CNC(=O)c1ccc(NCc2ccccc2-c2ccc(Cn3cccn3)cc2)c([N+](=O)[O-])c1 608909096 RUCKAICJWUVKSG-UHFFFAOYSA-N 441.491 4.478 5 20 IIBD CC[C@@H](NC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc(C)cs1 609199899 XEJQBTVBHIKKQG-GFCCVEGCSA-N 431.440 4.241 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2cccc(Cl)c2Cl)cc1OC 609795601 CLQNNDHGMNRDAH-NSHDSACASA-N 443.283 4.426 5 20 IIBD CCC[C@H]1SCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 609833119 UQSLMTLEXRTKHX-LJQANCHMSA-N 449.554 4.019 5 20 IIBD COc1cc(C(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)cc([N+](=O)[O-])c1OC 610173673 QYKVUIVGEKXQFK-UHFFFAOYSA-N 441.484 4.061 5 20 IIBD COC(=O)c1cc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c(Br)cc1F 617841724 ZCVCLGQBUCRZEK-SECBINFHSA-N 425.210 4.025 5 20 IIBD O=[N+]([O-])c1ccc(NCC2(c3ccc(Br)cc3)CCOCC2)c2nonc12 725792319 YFHZJUYYAZZHSZ-UHFFFAOYSA-N 433.262 4.054 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(C(=S)Nc2ccc(Cl)nc2)CC1 727067634 IINUKMCVVVAGLB-UHFFFAOYSA-N 445.854 4.181 5 20 IIBD Cc1nc(CCC(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)oc1-c1ccccc1 730334977 JABIVPMFJNAUGG-UHFFFAOYSA-N 443.843 4.326 5 20 IIBD O=C(NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 731285727 JIOXLIDRHBONEI-IAGOWNOFSA-N 430.869 4.010 5 20 IIBD CCOc1ccc([C@@H]2CCCN2c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])cc1 731918889 ZGHSSGWYOHGKFY-INIZCTEOSA-N 426.441 4.331 5 20 IIBD CO[C@@H](CNc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-])C(F)(F)F 733303457 QTDNDUOUTPTDJE-KRWDZBQOSA-N 447.435 4.002 5 20 IIBD C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)OCc1cc([N+](=O)[O-])ccc1Cl 734780212 FXYCNNFJSMWRSX-NSHDSACASA-N 426.853 4.191 5 20 IIBD Cc1ccc2c(COC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])cc(=O)oc2c1C 735147135 AAYUXYSSIUCPLK-UHFFFAOYSA-N 431.828 4.484 5 20 IIBD CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 735397819 FILJKLDSQIELEJ-ZXYWRSMDSA-N 430.457 4.009 5 20 IIBD Cc1nn(CCC(=O)O[C@H](Cc2ccccc2Br)C(C)C)c(C)c1[N+](=O)[O-] 735605736 ZUJJQVYYPGDZQY-QGZVFWFLSA-N 438.322 4.371 5 20 IIBD CC(C)(CNC(=O)c1cc([N+](=O)[O-])ccc1I)c1cccc(F)c1 735638950 BBSQCVLHJAZWIU-UHFFFAOYSA-N 442.228 4.046 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)COc1ccc(I)cc1 735803183 ZTDJRGWXPHGGTP-UHFFFAOYSA-N 446.628 4.179 5 20 IIBD O=C(c1coc(-c2ccccc2)n1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 737542390 IYPBJPNXSFAOPE-UHFFFAOYSA-N 446.385 4.231 5 20 IIBD Cc1cc(C(=O)COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c(C)n1CC(F)(F)F 740391060 ZIFIHPANTJZYTA-UHFFFAOYSA-N 426.391 4.279 5 20 IIBD O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)c1cc([N+](=O)[O-])ccc1N1CCCC1 741708055 UFFFNSMGYQLSFG-MRXNPFEDSA-N 428.920 4.247 5 20 IIBD CCN(CC)C(=O)c1cccc(OS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 742304614 IQUPOCOLHQKYAM-UHFFFAOYSA-N 447.296 4.151 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)Nc2c(C)cccc2C)c([N+](=O)[O-])cc1OC(F)F 744533400 JDLURPIDGLGWBN-LBPRGKRZSA-N 438.383 4.006 5 20 IIBD COc1cc(C(=O)OCc2ncc(-c3ccccc3Br)o2)ccc1[N+](=O)[O-] 744913357 XSVMSLILRWYEQM-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD COc1ccc(I)c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 747680131 PDIZTJLLDREVCH-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD C[C@H]1CN(Cc2ccccc2NC(=O)c2cc([N+](=O)[O-])ccc2Br)C[C@@H](C)O1 751091461 VPKHEXMOIFBLDW-OKILXGFUSA-N 448.317 4.219 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c(F)c1 751643426 JDPYJDVYOWKZHP-LLVKDONJSA-N 426.853 4.358 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CCCCC[C@H]1C[C@H](O)c1ccco1 752103627 TWNZFNPLEJWGLN-LPHOPBHVSA-N 439.468 4.010 5 20 IIBD CCOCCOCc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1C 753082272 NAAORGXKXNAEJN-UHFFFAOYSA-N 442.921 4.219 5 20 IIBD CCOc1ccccc1C(F)(F)C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 753485737 JNHWDSDOIZYUNW-LLVKDONJSA-N 442.802 4.309 5 20 IIBD Cc1csc(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1Br 753645393 KVYPXIBEMRGEKU-SNVBAGLBSA-N 427.276 4.220 5 20 IIBD CCc1ccc([C@@H](Nc2ccc(OC)c(NS(C)(=O)=O)c2)c2ccc([N+](=O)[O-])cc2)o1 753726591 RRECBGZPOKUDSE-NRFANRHFSA-N 445.497 4.332 5 20 IIBD Cc1c(C(=O)NCCc2csc(-c3ccccc3)n2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 753797979 IMGUEQVHQFSZKZ-UHFFFAOYSA-N 426.454 4.216 5 20 IIBD Cc1cnccc1CCNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 755210322 IBBJJUVXUKWLTI-UHFFFAOYSA-N 438.871 4.176 5 20 IIBD CC(C)(C)OC(=O)N1CCC(N(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C2CC2)CC1 758958774 XHGOKJBICCNIKV-UHFFFAOYSA-N 442.516 4.009 5 20 IIBD COC(=O)[C@@H](Cc1ccc(Cl)cc1)OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 759510315 MLRVQQVVTGTSFO-QGZVFWFLSA-N 446.868 4.313 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NC[C@@](C)(O)c3ccc(F)cc3)cc2[N+](=O)[O-])n1 759970610 DECCNZAEAILELU-HXUWFJFHSA-N 447.513 4.288 5 20 IIBD CC(C)N(Cc1cccc(F)c1)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 765172639 YHOOIETVVAEYLJ-UHFFFAOYSA-N 431.283 4.096 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C2)C1 765346842 DMLGUZBPQKAOEX-OAQYLSRUSA-N 431.514 4.283 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1CCCC2(C1)OCCO2 768294074 IETQASXAFBEJDK-UHFFFAOYSA-N 434.901 4.379 5 20 IIBD COc1ccc(CN(c2ccncc2)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 768545810 MUNCLOSAFHKVAO-UHFFFAOYSA-N 433.873 4.047 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)O)c(C(F)(F)F)c1 769833594 QJTCVOIPFCVKEF-UHFFFAOYSA-N 438.767 4.074 5 20 IIBD COc1ccc(Cl)cc1NC(=O)CCNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 770010777 WOSIKBJBYSQRPT-UHFFFAOYSA-N 427.244 4.061 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccc(C(F)(F)F)cc1Cl 775105251 MWCUBNIZGMGLJN-SECBINFHSA-N 446.765 4.460 5 20 IIBD CCOc1ccc(-c2nc(COC(=O)c3c(N)cccc3[N+](=O)[O-])cs2)cc1OC 778141745 UJQQFBDQUAQXMM-UHFFFAOYSA-N 429.454 4.065 5 20 IIBD CCC[C@@H]1C[C@H](C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCO1 780169207 MACNTXQXMOIKKQ-YSVLISHTSA-N 447.513 4.184 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)c1noc2c1CCCCC2)c1cccc([N+](=O)[O-])c1 780401854 MKUXWQCCGUJFSY-KRWDZBQOSA-N 441.484 4.094 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 780542547 ZWZAQBHNZYGFFY-YOEHRIQHSA-N 437.562 4.472 5 20 IIBD O=C(Nc1ccccc1C(=O)NCC[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1Cl 781050942 IPHPVJGBBLOOHW-HNNXBMFYSA-N 431.876 4.190 5 20 IIBD Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 781735889 DCYJXHDDKBOFPC-CYBMUJFWSA-N 449.847 4.276 5 20 IIBD CC1(NC(=O)OC(C)(C)C)CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 781766538 VQJIYJHHKXQJLT-UHFFFAOYSA-N 446.548 4.105 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 783019876 JDVAKYGVSHYGDE-MSOLQXFVSA-N 434.537 4.351 5 20 IIBD C[C@@H](c1cccs1)N(C)C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 787808474 GOFUDTCPJFHVRT-VIFPVBQESA-N 431.255 4.486 5 20 IIBD O=C(NC[C@@H](O)c1cc(F)cc(Cl)c1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 787824692 OKIWCZFVIHAIFV-OAQYLSRUSA-N 443.862 4.463 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)[C@@H]2CC(=O)c3ccccc32)c2ccccc2)c([N+](=O)[O-])c1 789301899 PPCGSIGHDILRDC-XXBNENTESA-N 444.443 4.496 5 20 IIBD COC[C@@H](Cc1ccccc1)N(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 789860758 PSWKQAUTUJCYPN-CQSZACIVSA-N 441.709 4.340 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(C(=O)NCc3ccccn3)c(Cl)c2)c1F 790263408 YBONVRTWFOZMAD-UHFFFAOYSA-N 442.834 4.273 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C)c2nc(-c3ccc(Br)cc3)no2)c1F 790851216 DYJQEFGLXREABZ-JTQLQIEISA-N 449.236 4.346 5 20 IIBD CC(C)c1c(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])cnn1-c1ccc(Cl)cc1 791631111 DYCXECJMRWYNDT-UHFFFAOYSA-N 442.859 4.387 5 20 IIBD CC(C)N(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccc(CC(=O)N(C)C)cc1 799446973 ILAAHOHEJVOIGH-MRXNPFEDSA-N 429.542 4.148 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(OCC(F)(F)F)c(Cl)c1 799969210 DPCNMJAGUPOQDP-UHFFFAOYSA-N 433.770 4.249 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(Cc1cccs1)Cc1cccs1 800628079 RVPMDJHFCVWITE-UHFFFAOYSA-N 433.486 4.333 5 20 IIBD COc1ccc(CN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)[C@H](C)C2CC2)c(OC)c1 800857714 BUOPDGFDXWQISI-MRXNPFEDSA-N 437.500 4.129 5 20 IIBD CC(C)(C)OC(=O)N1CCC(c2csc(NC(=O)c3cccc([N+](=O)[O-])c3N)n2)CC1 807885576 NOUCBYSHSYJHGD-UHFFFAOYSA-N 447.517 4.000 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1c(F)cc(C(F)(F)F)cc1F 811420192 RNSHCCNHDZRKKL-UHFFFAOYSA-N 429.257 4.299 5 20 IIBD CCOc1ccc([C@H](O)C2CCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)CC2)cc1 812678219 GDCIFTUUZZAHFD-DEOSSOPVSA-N 441.528 4.158 5 20 IIBD O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCC(OC[C@H]2CCCO2)CC1 815954074 QKMOCDNQPDJGQN-NKELODKYSA-N 430.457 4.047 5 20 IIBD C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[C@H](c2cccc(C(F)(F)F)c2)O1 816996273 LGKBTRNFTPCISO-BFUOFWGJSA-N 437.418 4.282 5 20 IIBD C[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 841979676 RFGLTRIQXLSFKE-RYLXDESZSA-N 434.536 4.027 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2ccccc2C(=O)c2cccs2)cccc1[N+](=O)[O-] 857081023 ZRJJBVJJINUPMU-AWEZNQCLSA-N 438.461 4.380 5 20 IIBD Cc1sc(NC(=O)Cn2cc([N+](=O)[O-])cn2)c(C(=O)OC(C)C)c1-c1ccccc1 913193591 SRDHOEUJSHFCBD-UHFFFAOYSA-N 428.470 4.032 5 20 IIBD O=C(COc1ccc(S(=O)(=O)c2ccccc2)cc1)Nc1cc([N+](=O)[O-])ccc1Cl 915872152 JINDQQHXJXVTDD-UHFFFAOYSA-N 446.868 4.099 5 20 IIBD Cc1cc(C)n2nc(C)c(C(=O)Oc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)c2n1 916953250 MNNBBMYIDGDWOH-UHFFFAOYSA-N 445.435 4.034 5 20 IIBD CN(C(=O)c1cc2c(F)cccc2s1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 916989442 BUKXKHLWMZUKCV-UHFFFAOYSA-N 428.850 4.063 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)Cn1c2ccccc2c(=O)c2ccccc21 918535142 VJYCECYDBDIONO-UHFFFAOYSA-N 432.432 4.205 5 20 IIBD CC(C)[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccc(Cl)cc1 918557212 GRPGWBLIDVKNND-VBKZILBWSA-N 433.867 4.254 5 20 IIBD CCOc1ccc([C@H]2CCCN2C(=O)COC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 918849843 NQKBFWLBBLDKSS-GOSISDBHSA-N 432.860 4.167 5 20 IIBD Cc1cc(C)c(C(=O)CCCC(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1 919453335 HAQHBRXFBNESFI-KRWDZBQOSA-N 426.469 4.443 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 920119666 TWJOJYBQBJFSDJ-UHFFFAOYSA-N 428.426 4.016 5 20 IIBD CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])c(F)c1 920316493 AOBAPMAARUJLMR-UHFFFAOYSA-N 430.413 4.127 5 20 IIBD Cc1cccc(CN2CCCC[C@@H]2C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 1116095022 QCPTTYFZPBJECW-HXUWFJFHSA-N 445.903 4.093 5 20 IIBD C[C@H](OC(=O)c1nc(C2CC2)n(-c2ccccc2)n1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 1322346723 LEJCFYXSPQKSFA-ZDUSSCGKSA-N 446.423 4.021 5 20 IIBD CC[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1N)c1ncc(-c2ccccc2)[nH]1 1327144846 IELMXHTVZBNGSB-AWEZNQCLSA-N 444.289 4.211 5 20 IIBD Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4oncc4C)CCC3)cc2)cc1[N+](=O)[O-] 1790523879 AELOWHZTSOTZOF-UHFFFAOYSA-N 448.479 4.190 5 20 IIBD CC(C)(C)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)[nH]n1 1816754112 DUPSPYOKQWOHQS-DYLHUKMJSA-N 429.477 4.053 5 20 IIBD CC(C)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])[nH]n1 1816770044 BOTKPBBRIWRJIQ-VYENPZKTSA-N 425.489 4.070 5 20 IIBD CCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)n[nH]1 1821168125 ITKOHMWERCFHQU-QGZVFWFLSA-N 431.468 4.199 5 20 IIBD CC(C)(C)CC(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 1831291517 ZTUAVCNVFFNIHM-OAQYLSRUSA-N 447.551 4.332 5 20 IIBD CC/C=C(\C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cc([N+](=O)[O-])ccc2F)CC1 1832518095 TXMBGKZVLXLKEQ-QEQOENRNSA-N 445.535 4.252 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccccc1OCc1ccc(F)cc1 10587226 LJIIQZYCBNBERK-UHFFFAOYSA-N 438.411 4.417 5 20 IIBD C[C@@H](OC(=O)CCNc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1Cl 11311649 ZARGUNCHRMXLGT-LLVKDONJSA-N 426.256 4.274 5 20 IIBD O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1OCc1ccccc1 13467812 PPYZJSMJQWKTBI-HUUCEWRRSA-N 430.844 4.433 5 20 IIBD COc1ccc(CNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)cc1OC 17298692 AYBSKOPTJQZBTN-UHFFFAOYSA-N 445.522 4.458 5 20 IIBD C[C@@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)Nc1ccc(F)c(F)c1 18591131 FZFJRGBOBPSNPK-GFCCVEGCSA-N 425.460 4.484 5 20 IIBD COc1cc(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])cc(Cl)c1OCC(C)C 23432277 HZNYJHVOWYZOSH-UHFFFAOYSA-N 436.848 4.087 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nnc(SCc2ccc(Cl)cc2)s1 24018747 GSKKIHXOOATRDJ-UHFFFAOYSA-N 436.902 4.410 5 20 IIBD CCOc1cc(C(=O)N[C@H](C)c2ccc(OC(C)C)c(OC)c2)c([N+](=O)[O-])cc1OC 26943373 MLPVTZFWQOYIMH-CQSZACIVSA-N 432.473 4.289 5 20 IIBD O=C(c1ccccc1)N1CCCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 31251583 YZMWFMFGBLTQFK-UHFFFAOYSA-N 444.491 4.327 5 20 IIBD Cc1cccc(-c2nnc(-c3ccc(C(=O)NCCNc4ccc([N+](=O)[O-])cc4)cc3)o2)c1 33180424 VZJIZVKXWNCBDF-UHFFFAOYSA-N 443.463 4.462 5 20 IIBD C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 58099567 LBMKQONIBJOKCM-GJZGRUSLSA-N 429.448 4.155 5 20 IIBD CCCOc1ccc(CN(CCC)C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1OC 60559222 FADBAZUKHJSOIY-UHFFFAOYSA-N 444.484 4.216 5 20 IIBD CCOC(=O)CN(C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)c1ccc(F)cc1 60855599 WILWPTDKDBDEDB-UHFFFAOYSA-N 443.475 4.180 5 20 IIBD CCOCCOc1c(Cl)cccc1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 63397779 QWRQVZAOVFAJST-UHFFFAOYSA-N 448.907 4.018 5 20 IIBD C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2ccc(OCc3ccc(F)cc3)cc2)C1=O 72031118 GMHTZDWRLQBFQB-DEOSSOPVSA-N 449.438 4.280 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105989573 OEQHIRAGNLRCDP-UHFFFAOYSA-N 443.525 4.164 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCCn2c(C)nc3ccccc32)cc1 106124384 IXIPBVIZAOFQHV-UHFFFAOYSA-N 446.463 4.484 5 20 IIBD Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)C2)cc1 110438845 KIHYCXOUGMTXGJ-INIZCTEOSA-N 435.484 4.058 5 20 IIBD CC(C)(CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1Cl 303451038 JOAIIYWCNMJSDF-HNNXBMFYSA-N 435.933 4.008 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NC[C@H]3CCCO[C@@H]3c3ccccc3)cc2)c(C)c1[N+](=O)[O-] 409557937 NPQJYJPTUHDTAP-ISKFKSNPSA-N 448.523 4.354 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C(=O)OC)c1Br 427156112 WEGLKKNZVINCKG-CYBMUJFWSA-N 435.274 4.351 5 20 IIBD CC(C)(NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C(=O)O 431446097 PKAFDIYNMKHOBL-SDNWHVSQSA-N 425.466 4.115 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(CN[C@@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)cc2)C[C@@H](C)O1 433173756 LIQNMHDEUKBNHY-SEPYTNNBSA-N 437.540 4.356 5 20 IIBD COc1ccc([C@@H](N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c2ccc(F)cc2)cc1 433698832 IKYDLZOVAINSJO-GOTSBHOMSA-N 435.455 4.227 5 20 IIBD NC(=O)c1ccc(SCC(=O)N(Cc2cc(F)ccc2F)C2CCCC2)c([N+](=O)[O-])c1 434240310 RMDBCCFFTPWGAS-UHFFFAOYSA-N 449.479 4.035 5 20 IIBD CCOc1c(OC)cc(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1OC 436241681 SENFVZGZCZGHEQ-UHFFFAOYSA-N 432.476 4.027 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCCCOC1CCN(Cc2ccccc2)CC1 436391613 QWBZJVGPCQQCJP-UHFFFAOYSA-N 438.450 4.492 5 20 IIBD CC(=O)N(c1nc(Cn2c(C)c([N+](=O)[O-])ccc2=O)cs1)c1c(C)cc(C)cc1C 436474451 OUFMBRBMMIUJFC-UHFFFAOYSA-N 426.498 4.180 5 20 IIBD COc1cccc(CN(C)C(=O)c2ccc(O)c([N+](=O)[O-])c2)c1OCc1ccccc1F 436676171 NRVITHVHPCMAOD-UHFFFAOYSA-N 440.427 4.299 5 20 IIBD CCNc1ccc(C(=O)N[C@H](C)[C@H](OC2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] 437342448 DXYQDPPJRUGQET-ZHRRBRCNSA-N 427.501 4.082 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 437594724 QWTIPDWZEUBRHQ-UHFFFAOYSA-N 433.839 4.287 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F 439842773 HZWDRNBBCQJZIB-UHFFFAOYSA-N 428.247 4.416 5 20 IIBD COc1ccc(N2C[C@@H](C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc3)CC2=O)cc1 440603427 YWLDDMWYDVRVMO-IBGZPJMESA-N 445.475 4.190 5 20 IIBD CCn1ncc2cc(C(=O)Nc3ccc(OCc4ccccc4)cc3[N+](=O)[O-])c(C)nc21 440876177 AAWYMMHMDCEQRV-UHFFFAOYSA-N 431.452 4.499 5 20 IIBD CN1Cc2cc(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)ccc2NC1=O 444336206 CLJYAYDCYJHYNP-UHFFFAOYSA-N 434.402 4.189 5 20 IIBD CC1CCN(c2ccc(C(=O)NC[C@@]3(O)CCC[C@@H](C(F)(F)F)C3)cc2[N+](=O)[O-])CC1 444468568 QVVNPHRYQXYNMI-OXQOHEQNSA-N 443.466 4.045 5 20 IIBD COC(=O)CCCOc1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 445004529 HZJRCZBAHGJBBF-UHFFFAOYSA-N 443.275 4.003 5 20 IIBD O=C(NCC1(c2cccc(Cl)c2)CCOCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 445701567 GPEZSMVSQPXLMS-UHFFFAOYSA-N 429.904 4.064 5 20 IIBD Cc1ccc(-c2csc(NC(=O)Cc3ccnc(O)c3Br)n2)cc1[N+](=O)[O-] 447191890 JSRMLRLTJLMUJT-UHFFFAOYSA-N 449.286 4.071 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3Cc4ccccc4C4(CCC4)C3)n2C[C@H]2CCOC2)c1 461365435 KGMBFSSVFKOBRO-GOSISDBHSA-N 445.523 4.332 5 20 IIBD C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 461399621 QSKLJAIYHUCGAT-LBPRGKRZSA-N 437.265 4.096 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 461446245 PICXDYKZSAQEQR-UXHICEINSA-N 448.548 4.312 5 20 IIBD CCCCNC(=O)COc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 462661583 LRBWFCFGGFSJIS-UHFFFAOYSA-N 440.283 4.449 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCN(Cc2ccc(Cl)cc2)CC1 463467262 AUKITFAHMUEQTB-UHFFFAOYSA-N 427.810 4.225 5 20 IIBD C[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1nc(-c2cccc(F)c2)no1 464914505 UYVPEKNHHBMLNO-NSHDSACASA-N 439.428 4.398 5 20 IIBD CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 465250306 GTJZDHWDONESEY-UHFFFAOYSA-N 426.450 4.433 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 466294922 BZTDOKOKQLQXKF-OAHLLOKOSA-N 436.295 4.070 5 20 IIBD COc1cccc(Oc2ccc(CNC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)cn2)c1 466553761 SUKWAJGACDZWIR-UHFFFAOYSA-N 442.859 4.444 5 20 IIBD Cn1ccc([C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c2ccc(Cl)cc2)n1 467229845 MAFCQPUMCPSCED-GOSISDBHSA-N 434.283 4.224 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)cc1SC 470163804 UNFAJKDSIMAZNO-GOSISDBHSA-N 431.558 4.212 5 20 IIBD CCc1ccc(C(=O)N2CCO[C@H](c3ccc(F)c(Br)c3)C2)cc1[N+](=O)[O-] 475843267 JEWHVGSAAGYLRB-SFHVURJKSA-N 437.265 4.273 5 20 IIBD Cc1nc2ccc(Br)cn2c1C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 476275232 GUXBAAVLTVOYFN-UHFFFAOYSA-N 426.230 4.114 5 20 IIBD CN1CC[C@H](CNC(=O)CSc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 476978949 HNOQJIKBXMGTDH-VLIAUNLRSA-N 437.924 4.289 5 20 IIBD Cc1cn(-c2cccc(NC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)c2)c(O)n1 477812295 YVRUZUYRNNORIZ-UHFFFAOYSA-N 428.423 4.272 5 20 IIBD O=C(NC[C@@H]1CCCCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1 480339833 VLJIWBBKPNPOBY-INIZCTEOSA-N 448.426 4.013 5 20 IIBD O=[N+]([O-])c1cccc(OCCN[C@@H](CO)c2ccc(Br)cc2C(F)(F)F)c1 483275627 ZZZYSIHZANPBHM-INIZCTEOSA-N 449.223 4.078 5 20 IIBD COC(=O)COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1Cl 483550444 GJNXLEBRAGQGRQ-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(NC(=O)N(C)C)c1 485346544 JQJPNXWPIJVNJU-UHFFFAOYSA-N 430.530 4.366 5 20 IIBD COC(=O)c1c(Br)ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1C 486334510 MFBKJNJOOMGUPA-UHFFFAOYSA-N 433.214 4.451 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 487173685 ADXUWWBHAKJMAM-CYBMUJFWSA-N 441.454 4.354 5 20 IIBD CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)cc21 487679275 XUZCBHMFKPYLCJ-UHFFFAOYSA-N 449.410 4.220 5 20 IIBD COc1ccc(S(=O)(=O)N(Cc2c(Cl)cccc2[N+](=O)[O-])c2nccs2)cc1 488121925 GSFSBFMAACBHCF-UHFFFAOYSA-N 439.902 4.109 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1ccc(C)cc1 488902353 OWQALGHMLRDBGV-CQSZACIVSA-N 441.513 4.310 5 20 IIBD Cc1nc(C)n(Cc2cccc(NC(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)c2)n1 488943819 CNOSSMPYPQDQDN-UHFFFAOYSA-N 448.405 4.192 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccccc1 489384956 IFONWWFJHWSEJT-UHFFFAOYSA-N 446.492 4.277 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN([C@H]2CCc3c(Cl)cc(Cl)cc32)CC1 490146801 TVBZZHGECZWEBS-HNNXBMFYSA-N 426.325 4.408 5 20 IIBD CCNC(=O)Nc1ccc(C)c(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 490321495 JRKNIFPEVLABSH-UHFFFAOYSA-N 439.394 4.385 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@@H](Cc1ccccc1)c1cccs1 493419454 ZEZKPDGIMQNQRI-KRWDZBQOSA-N 429.885 4.348 5 20 IIBD C[C@H]1CCCN(c2ccc(C(=O)Nc3ccc4nnc(C5CCC5)n4c3)cc2[N+](=O)[O-])C1 493945429 QZZTXYPXOYJOHP-HNNXBMFYSA-N 434.500 4.394 5 20 IIBD C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)c1ccccc1Cl 497837823 RPKFHYHYMWLBTD-VIFPVBQESA-N 430.629 4.344 5 20 IIBD CC[C@@H](c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1-c1ccc(OC)cc1)N(C)C 501709969 RUEAVWNOWDRFHU-IBGZPJMESA-N 427.530 4.489 5 20 IIBD CC[C@H](C(=O)N1CCC(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1)c1ccccc1 502013779 CGHZASTYDCQVTE-IBGZPJMESA-N 441.553 4.231 5 20 IIBD CCOc1ccc([C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)c2cccc(Cl)c2)cc1 502350487 BXUNBXWKUDZWTR-OAQYLSRUSA-N 428.876 4.139 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@@H]3CCCOc4ccc(F)cc43)cc2)c(C)c1[N+](=O)[O-] 507472375 ZSJURZXZMKQBDJ-HXUWFJFHSA-N 438.459 4.239 5 20 IIBD COc1cccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)c1 509155183 RSEIEKVXEHUVQJ-NSHDSACASA-N 440.237 4.007 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 511119631 AWMFUARGPZMPAG-UHFFFAOYSA-N 438.509 4.022 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]2c2ccc(Cl)cc2)c(Br)c1 511257604 BOMONJIZCCMSLD-AWEZNQCLSA-N 431.695 4.146 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)cc1[N+](=O)[O-] 513296647 JNWPEITZCVRODT-UHFFFAOYSA-N 430.413 4.182 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC(Oc2ccccc2Cl)CC1 513875203 XJXICHMIRCCMJQ-UHFFFAOYSA-N 426.860 4.118 5 20 IIBD C[C@H]1CCCN(Cc2ccc(CN[C@@H](c3ccc([N+](=O)[O-])cc3)c3nccn3C)cc2)C1 514089132 OSVGBUYKACLVAD-CYFREDJKSA-N 433.556 4.439 5 20 IIBD CNc1ccc(C(=O)Nc2ccc(OC)c(OCc3cn4ccccc4n3)c2)cc1[N+](=O)[O-] 515475552 WYTUVSHLKBYKFP-UHFFFAOYSA-N 447.451 4.124 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)c([N+](=O)[O-])cc1OC 515507517 IVPJLRGRJJAEAE-UHFFFAOYSA-N 449.891 4.294 5 20 IIBD CCCOc1cc(NC(=O)C(=O)N(C)C2CCCCCC2)c([N+](=O)[O-])cc1OCCC 515946134 QGZFUBFYVUAHFX-UHFFFAOYSA-N 435.521 4.292 5 20 IIBD COc1ccc(CN(C)C)cc1NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 518415300 GMNIRZZXPBBKKI-INIZCTEOSA-N 449.511 4.485 5 20 IIBD COc1ccccc1[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 518645490 HNJMKTVAQNPHIC-HSZRJFAPSA-N 428.448 4.309 5 20 IIBD Cn1cc(C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)n2)c(-c2ccc([N+](=O)[O-])cc2)n1 518663773 PEXHAPDMBPWJAI-UHFFFAOYSA-N 441.447 4.245 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 520378733 PRJKSROSAXBWOS-GOSISDBHSA-N 434.899 4.193 5 20 IIBD COc1cc(OCC(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)ccc1[N+](=O)[O-] 520619409 BGUXWFQKAVOABJ-UHFFFAOYSA-N 436.424 4.265 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NCc2ccccc2OCC(F)(F)F)c([N+](=O)[O-])c1 520868722 SQJMOLWAWMVLFT-UHFFFAOYSA-N 434.374 4.113 5 20 IIBD C[C@H]1C[C@@H](C)CN(C[C@H](C)NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 521246777 QLIXCSLHLYISBH-ZSYWTGECSA-N 439.560 4.259 5 20 IIBD Cc1sc2nc(CS[C@@H](C)C(=O)N3CCc4c3cccc4[N+](=O)[O-])nc(O)c2c1C 523089381 WRFSKMUGXQNGKW-LBPRGKRZSA-N 444.538 4.133 5 20 IIBD COc1ccc2cc([C@@]3(C)NC(=O)N(Cc4ccc(Cl)cc4[N+](=O)[O-])C3=O)ccc2c1 523793326 YTOZBMUTRSWPKA-JOCHJYFZSA-N 439.855 4.377 5 20 IIBD O=C1CNC(=O)N1c1cccc(NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)c1 532730507 LRJLMIZJHOFEII-UHFFFAOYSA-N 436.399 4.195 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 532968298 BCROGTKGCKJLMC-ZFWWWQNUSA-N 433.867 4.309 5 20 IIBD COC(=O)[C@@H](NCc1cc([N+](=O)[O-])ccc1OC(C)C)c1ccc(Br)cc1 533054775 QFLPZIKUJYUQDN-SFHVURJKSA-N 437.290 4.148 5 20 IIBD O=C(Nc1cncc2ccccc12)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 534023168 YCMLXABYWKFJTF-UHFFFAOYSA-N 448.460 4.196 5 20 IIBD CCc1cccc(C)c1NC(=O)C[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534061109 OYWLSKCLEGEPMP-SSEXGKCCSA-N 427.482 4.008 5 20 IIBD O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2Br)c1 534234733 DYARMDMMEUQNNA-UHFFFAOYSA-N 441.181 4.057 5 20 IIBD CCO[C@H]1C[C@H](O)C12CCN(Cc1ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c1)CC2 536682266 BLMFEYZZRDDOHZ-VXKWHMMOSA-N 430.476 4.278 5 20 IIBD O=C(Nc1ccc(Br)cc1Cl)c1cccc([N+](=O)[O-])c1N1CCOCC1 538465283 YVKYHFSEBCDMBL-UHFFFAOYSA-N 440.681 4.100 5 20 IIBD CC(C)CN(C(=O)c1ccc(C(N)=O)s1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 539348964 LMNVYLOGCRTGJU-UHFFFAOYSA-N 430.511 4.182 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(C(=O)c2ccccc2)CC1 539645385 LLEDITUTWQCQHN-UHFFFAOYSA-N 441.553 4.475 5 20 IIBD O=C1CCCN1[C@H]1CCCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 539834035 WERWPPKHOSNNIF-QHCPKHFHSA-N 445.523 4.034 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)C(=O)N1CCCC[C@H]1C 542656568 BYMRFTSVPXZVLH-CVEARBPZSA-N 433.574 4.396 5 20 IIBD C[C@@H](C(=O)Nc1ccnn1Cc1ccccc1Br)c1ccc([N+](=O)[O-])cc1F 543440686 OETFMBRHUFEMQI-GFCCVEGCSA-N 447.264 4.483 5 20 IIBD C[C@H](C(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1)c1ccc([N+](=O)[O-])cc1F 543533344 JTSZZYNYSLMVJU-DZGCQCFKSA-N 442.422 4.433 5 20 IIBD COc1cc(OC)c2cc(CCCNC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)[nH]c2c1 544443775 JELUOJHCGXQXRB-CYBMUJFWSA-N 429.448 4.085 5 20 IIBD O=C(NCc1ccc(NC(=O)c2ccc(F)cc2)cc1)Nc1ccc([N+](=O)[O-])cc1F 544623023 HAKMRUCADAGENC-UHFFFAOYSA-N 426.379 4.447 5 20 IIBD CC(C)(C)C(=O)NCc1ccc(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)cc1 546487762 DSKHHEZWXSVPGA-UHFFFAOYSA-N 433.468 4.379 5 20 IIBD O=C(NCc1ccc(F)cc1Br)c1ccc([N+](=O)[O-])cc1Br 548294627 ALXOFMDUGZILMK-UHFFFAOYSA-N 432.043 4.189 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)NCCCOc2ncc(C(F)(F)F)cc2Cl)c1 549007483 VWZGESDCOQHDJK-UHFFFAOYSA-N 447.797 4.260 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H]2CCOc3c(Cl)cccc32)cc1[N+](=O)[O-] 551720535 SZGXTSVFBUEVSJ-MRXNPFEDSA-N 431.876 4.124 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[C@]12CCc1cc(Br)ccc12 552272020 BSIVEHZTFQFWMH-RXVVDRJESA-N 429.314 4.262 5 20 IIBD CC[C@@](C)(NC(=O)c1ccccc1)c1noc(C(C)(C)c2ccc([N+](=O)[O-])cc2F)n1 562901375 LJOHDUDOYRLBMH-JOCHJYFZSA-N 426.448 4.498 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CNc3ccc(-n4ccc(C(F)(F)F)n4)cc3)n2)c1 570738142 UQWCILRDJRCIGW-UHFFFAOYSA-N 430.346 4.461 5 20 IIBD O=C(NC1(c2noc(-c3ccc(NC4CC4)c([N+](=O)[O-])c3)n2)CCCC1)c1ccccc1 574317412 LGNYIYWHVQKUPT-UHFFFAOYSA-N 433.468 4.418 5 20 IIBD CC(C)(NC(=O)Nc1cc(F)c(Cl)cc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1 574941229 PIBBJFUYIPULBJ-UHFFFAOYSA-N 436.871 4.281 5 20 IIBD CC(=O)N(c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1)[C@@H]1C[C@H]1C 576424734 RWUXXKOBFFNDQK-CWTRNNRKSA-N 446.301 4.300 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(Oc2ncnc3ccc(SC)cc23)c([N+](=O)[O-])c1 583714602 XLYUIADOQUAVOY-UHFFFAOYSA-N 448.526 4.083 5 20 IIBD COCCNC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)c1 587079465 QBMMFXQSKWXSSX-UHFFFAOYSA-N 443.525 4.258 5 20 IIBD C[C@H]1CN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCC1(F)F 589538754 AAEMBSDQHQGFLO-INIZCTEOSA-N 440.450 4.494 5 20 IIBD COc1cc(CN[C@H]2CC[C@@](O)(C(F)(F)F)C2)c([N+](=O)[O-])cc1OCc1ccccc1 589938512 UTFSIQPCGZOALI-JXFKEZNVSA-N 440.418 4.118 5 20 IIBD Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1n[nH]c(C)c1[N+](=O)[O-] 604550345 WBYSBCOGLUYYLG-UHFFFAOYSA-N 447.373 4.458 5 20 IIBD Cc1csc(-c2cccc(NC(=O)c3nn(-c4ccccc4[N+](=O)[O-])c(C)cc3=O)c2)n1 608808372 CTELPCFMRBDASW-UHFFFAOYSA-N 447.476 4.133 5 20 IIBD CCn1c(C)nnc1Sc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] 608831643 VOPJIAQJJMGKSK-UHFFFAOYSA-N 447.542 4.083 5 20 IIBD Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)n(-c2ccccc2C(F)(F)F)n1 608927201 QPYGMBUIZXCTGS-UHFFFAOYSA-N 440.403 4.217 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1cc(N2CCCC2=O)ccc1Cl 609727741 WCVLRIBQINOCOB-UHFFFAOYSA-N 438.267 4.436 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cc(Br)sc1Br 609729619 NANREMFKAGUIBX-UHFFFAOYSA-N 449.124 4.023 5 20 IIBD O=C(CN1CCCCCC1)Nc1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1 609855585 ZBTNYXQAJVQOHX-UHFFFAOYSA-N 430.892 4.315 5 20 IIBD CCCCOc1c(Cl)cc(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2)cc1OC 609884192 CRBLNRHLGYOYBY-UHFFFAOYSA-N 436.848 4.475 5 20 IIBD CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)c1 609981539 MIFADXLLHDDLOJ-UHFFFAOYSA-N 430.413 4.182 5 20 IIBD O=C(NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc([N+](=O)[O-])cc1Br 610061949 XVZZVGYFLFJERB-LBPRGKRZSA-N 438.709 4.267 5 20 IIBD C[C@H](O)CN(Cc1ccccc1)C(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 610163791 MCJRSQMMCLAPIZ-OTWHNJEPSA-N 425.529 4.100 5 20 IIBD Cc1c(Br)cc(C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)cc1[N+](=O)[O-] 611073272 RVOCZWMTBKLIOO-QGZVFWFLSA-N 432.318 4.012 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(OCc2ccccc2F)CC1 611260117 TYEXRHFWRORHKB-AWEZNQCLSA-N 435.883 4.396 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N(c2ccccc2)c2nc(C)cs2)cc1OC 619564486 SFPIWMYXNCOZBO-UHFFFAOYSA-N 443.481 4.372 5 20 IIBD Cc1ccc(CCC2CCN(C(=O)Cn3c(C)nc([N+](=O)[O-])c3Br)CC2)cc1 726430885 DFLGTLRTLLZJOU-UHFFFAOYSA-N 449.349 4.042 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1csc(Cc2ccc(F)cc2)n1 727020268 URVZTPDRGKJCJQ-UHFFFAOYSA-N 440.412 4.188 5 20 IIBD CC1CCN(c2ccc(C(=O)O[C@@H](C)C(=O)Nc3ccc(F)cc3F)cc2[N+](=O)[O-])CC1 728948325 JUVRFLJPPSDHQX-AWEZNQCLSA-N 447.438 4.293 5 20 IIBD CC(C)COc1ccc(C(=O)OC[C@@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])cc1 730706218 BLVZVRKHENBBQW-SFHVURJKSA-N 426.469 4.091 5 20 IIBD O=[N+]([O-])c1ccc2oc(=S)n(CN3CCC(n4cc(Br)cn4)CC3)c2c1 731662075 JMVIJJMJZMGYNI-UHFFFAOYSA-N 438.307 4.126 5 20 IIBD C[C@H](OC(=O)c1ccccc1COc1cccc(C=O)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 731748656 MMHYNIDDOFTOLE-INIZCTEOSA-N 448.431 4.170 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@H]1CCc2c(Br)cccc21 732036227 SHNMONCJAHKAQS-ZDUSSCGKSA-N 447.257 4.453 5 20 IIBD CN1C(=O)CC[C@@H](C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)[C@@H]1c1ccc(C(F)(F)F)cc1 734389111 NTBDFQPXFWZJRZ-KDOFPFPSSA-N 439.365 4.301 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccc(Cl)c1 734390362 DJXSPSWEDVEULC-VQIMIIECSA-N 436.295 4.080 5 20 IIBD Cc1nc(-c2ccccc2)sc1C(=O)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 735339438 MGADHMPXCQNTCM-UHFFFAOYSA-N 439.449 4.182 5 20 IIBD C[C@@H]1COCCN1c1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 737725456 VYLKKQSQTPMVPH-CYBMUJFWSA-N 439.390 4.013 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@H](O)c2c(F)cccc2F)cc1 740934286 XSSNCAMYGRUGPP-IBGZPJMESA-N 444.390 4.137 5 20 IIBD C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC1 741995393 BFGQWUCKTDZVOI-ZDUSSCGKSA-N 436.281 4.015 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(N(C)C(=O)OC(C)(C)C)cc1 742331870 IRMBZLUYBODNOL-UHFFFAOYSA-N 436.486 4.296 5 20 IIBD C[C@H](NC(=O)c1ccccc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-])c1ccccc1 742610592 YXANFGQAVQYOGK-KRWDZBQOSA-N 432.480 4.161 5 20 IIBD O=C(CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Nc1ccccc1SC(F)F 743863155 XXVRNQXCTBGMJW-UHFFFAOYSA-N 437.468 4.391 5 20 IIBD CC(C)(C)c1ncc(/C=C\C(=O)OC[C@@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])s1 744115471 BPCYLSMBWQCGRR-WOLCWHLNSA-N 443.525 4.210 5 20 IIBD CCO[C@H](C)C(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 744372009 OCJAMWGIIRIKSW-SNVBAGLBSA-N 427.240 4.484 5 20 IIBD O=C(OCCSc1ccc(Cl)cc1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 745027951 HZZFOVFMJCJDLW-CQSZACIVSA-N 440.930 4.250 5 20 IIBD O=C(O[C@H]1CCCN(c2cccc(F)c2)C1=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 745565445 NNVUGSOUVLRRER-INIZCTEOSA-N 426.322 4.105 5 20 IIBD C[C@@H]1CN(c2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@@H](C)O1 747389456 PRGIENOSYUBHQU-RBSFLKMASA-N 433.892 4.268 5 20 IIBD O=C(OCCn1cnc([N+](=O)[O-])n1)c1oc2ccccc2c1CSc1cccs1 749079185 QABZOKBDVAYNIO-UHFFFAOYSA-N 430.467 4.143 5 20 IIBD O=C(Nc1cccc(N2CCCC2=O)c1)c1cc(Br)cc([N+](=O)[O-])c1Cl 749409362 AKYOXNSWUDKKOK-UHFFFAOYSA-N 438.665 4.390 5 20 IIBD C[C@H](OC(=O)CCc1ccc(F)cc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 751851185 COEGIOMTLPNDCS-JTQLQIEISA-N 446.328 4.395 5 20 IIBD CCOC(=O)/C=C/c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1 755084865 OINZCHIISRVPIM-BJMVGYQFSA-N 433.258 4.115 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@H](C)c1cc(F)cc(F)c1 756325457 PLQRXUUCNBOTOZ-KZULUSFZSA-N 438.452 4.029 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 756707245 QCIKMTBSAUYLHE-UHFFFAOYSA-N 449.379 4.210 5 20 IIBD CCC(=CC(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O)CC 759285066 ZZIYBGMWOXLANN-MHWRWJLKSA-N 437.905 4.147 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Oc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1 759316372 CVASGBREZXLPED-IBGZPJMESA-N 434.408 4.126 5 20 IIBD COc1cc(N2CCC(OC(=O)c3cnc4ccc(F)cc4c3)CC2)ccc1[N+](=O)[O-] 759375656 YYXOTMUQQIMDTO-UHFFFAOYSA-N 425.416 4.117 5 20 IIBD COCCCCN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 760342000 JXTZFUHXLJYDMA-UHFFFAOYSA-N 426.922 4.487 5 20 IIBD O=C(NCCc1ccc(N2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1Br 760788028 CZKVSSFMWUSROS-UHFFFAOYSA-N 432.318 4.320 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2cc(SC)c(Cl)cc2Cl)c([N+](=O)[O-])c1 761299341 MJNVDWHVAWVKEW-UHFFFAOYSA-N 445.280 4.428 5 20 IIBD COc1cc(Cc2noc(CCC3CCN(C(=O)OC(C)(C)C)CC3)n2)ccc1[N+](=O)[O-] 762310421 XCXJVVKOXIXNBF-UHFFFAOYSA-N 446.504 4.157 5 20 IIBD O=C(NCc1ccccc1)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1 763183231 AIYKRSPJVZUFDA-UHFFFAOYSA-N 444.491 4.377 5 20 IIBD COc1ccsc1[C@H]1NC(=O)N(CC2CC2)C(C)=C1C(=O)Nc1cccc([N+](=O)[O-])c1 764987924 IUWBMNUPWBMYEG-SFHVURJKSA-N 442.497 4.054 5 20 IIBD CCc1nc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)sc1C(=O)OC 765052418 FHSGMAOCFOZSJB-UHFFFAOYSA-N 448.682 4.069 5 20 IIBD C[C@@H](OC(=O)c1ccc(N)cc1C(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 770062147 LXNMIZJRHZAIRQ-MRVPVSSYSA-N 431.754 4.033 5 20 IIBD CCCCc1ccc(NC(=O)Cc2noc(-c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)n2)cc1 770989044 DYZFBEQCOHGJKX-UHFFFAOYSA-N 446.467 4.354 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc([C@H]3CC34CCN(C(=O)OC(C)(C)C)CC4)n2)c1 771396860 KZNFFIVNYHWABL-MRXNPFEDSA-N 444.488 4.082 5 20 IIBD Cc1cc(S(=O)(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc([N+](=O)[O-])c1F 771721834 SVLVGWOUIUDITP-ZDUSSCGKSA-N 435.502 4.220 5 20 IIBD CC(C)([C@@H](OC(=O)C[C@@H]1C(=O)Nc2ccccc21)c1ccc(Br)cc1)[N+](=O)[O-] 774371023 XVOWVFJOUKKYAI-YJBOKZPZSA-N 447.285 4.215 5 20 IIBD O=C(O[C@@H]1CCO[C@]2(CCOC2)C1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 774938358 CWNLJIJSOLWIMU-VGOFRKELSA-N 446.887 4.355 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(OC(F)F)c3cccnc23)ccc1Cl 775295018 ZPWRGWVBKQPAQA-UHFFFAOYSA-N 429.788 4.199 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCC[C@@H](Cn2cnc3ccccc32)C1 776552592 YHXQATPWFMXKKF-LJQANCHMSA-N 447.539 4.487 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)c1cc([N+](=O)[O-])c2nsnc2c1 778244192 PCIRRYZSCOZIQS-GFCCVEGCSA-N 439.497 4.032 5 20 IIBD O=C(NC[C@@H](O)c1ccc(OC(F)(F)F)cc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 780911571 NGNHTAURPDIVSW-HXUWFJFHSA-N 442.393 4.043 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)c1cnc2ncc(Br)cc2c1 781253891 IFPMMIHJCMMNQX-UHFFFAOYSA-N 432.230 4.056 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)C2(C(=O)OCc3ccc([N+](=O)[O-])c(F)c3)CCCC2)c1 782229822 NOJDYLGWLFMMPL-UHFFFAOYSA-N 435.473 4.181 5 20 IIBD O=C(NC[C@H](O)c1ccccc1Cl)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 787426387 HHFQPGRRBMWSKS-NRFANRHFSA-N 426.856 4.291 5 20 IIBD CC(C)(C(=O)N1CCC(COc2ccc(Cl)nc2)CC1)c1ccc([N+](=O)[O-])cc1F 790093629 SMRAFNQEHYDQIE-UHFFFAOYSA-N 435.883 4.378 5 20 IIBD CN(CCCCCO)C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 790146071 KIMKGLRVTALDMK-UHFFFAOYSA-N 439.556 4.289 5 20 IIBD COc1ccc(-c2nc(C)c(C(=O)Oc3ccc(OC)c([N+](=O)[O-])c3)s2)cc1OC 792116297 IMPRNMPDDUGXSN-UHFFFAOYSA-N 430.438 4.272 5 20 IIBD CC(C)(C)OC(=O)NC[C@@]1(C)CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 801575088 WIAUMKTXRWZRCV-GOSISDBHSA-N 428.327 4.094 5 20 IIBD COc1cccc(CN(C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1OCc1ccccc1F 801601414 NWTULMHISNIQPD-QFIPXVFZSA-N 440.471 4.487 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cn2ccc(Br)cc2n1 803944515 VKUJJGBWFLDVEC-UHFFFAOYSA-N 443.213 4.017 5 20 IIBD O=[N+]([O-])c1ccc(N2CCOCC2)c(-c2nc(-c3cc(F)cc(Br)c3)no2)c1 809315034 DWVQOSFHDLEXGB-UHFFFAOYSA-N 449.236 4.050 5 20 IIBD Cc1cc(=O)cc(C)n1CCCC(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 810533781 VVRRZNNGOKWQKW-UHFFFAOYSA-N 449.463 4.011 5 20 IIBD CCc1nc(-c2nc(CCC(C)(C)[N+](=O)[O-])no2)nn1-c1c(Cl)cccc1Cl 812816736 ZFJVLXRISXQPOO-UHFFFAOYSA-N 425.276 4.174 5 20 IIBD O=C(NC1CCCCC1)OC[C@H]1CCCCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 813730091 SHNRTOLDRRRZPD-QGZVFWFLSA-N 428.489 4.130 5 20 IIBD C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCCOC2=O)cc1 817278789 MLLMPLADQFOSGG-MRXNPFEDSA-N 426.473 4.011 5 20 IIBD O=C(OCc1cc(Cl)cc2cccnc12)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 914900518 TVQJPRXXCNMNFO-ZDUSSCGKSA-N 443.818 4.032 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N[C@H]2CCCC[C@H]2C)cc1 915250431 SMURHBCYPVTNKW-QRWLVFNGSA-N 442.468 4.247 5 20 IIBD COc1ccc2[nH]cc(CC(=O)Oc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)c2c1 915279123 NTJONWOFYRUWRH-UHFFFAOYSA-N 445.431 4.485 5 20 IIBD O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)Nc1ccc(Cl)c([N+](=O)[O-])c1 920340694 ZSPZXDJRZZZNFA-JTQLQIEISA-N 434.663 4.116 5 20 IIBD CC(=O)N[C@H](CC(=O)Oc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(Br)cc1 921133485 IOTBKYIWJJEDGO-CQSZACIVSA-N 441.665 4.184 5 20 IIBD COc1ccc(S(=O)(=O)CCC(=O)OCc2nc3ccccc3c3ccccc23)cc1 1115815490 XQPBBEVWSQFMMZ-UHFFFAOYSA-N 435.501 4.304 5 20 IIBD O=C(c1cccs1)C1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 1116231098 RFTCNEWNFCVCRX-UHFFFAOYSA-N 430.529 4.338 5 20 IIBD C[C@@H](CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1319258886 SOOBOGWWNIHKDQ-WMZOPIPTSA-N 431.533 4.153 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)NC1(c2ccc(NC(=O)[C@H]3CCC=CO3)cc2)CCC1 1789496752 YWAHJPFFUAZNDX-JOCHJYFZSA-N 449.507 4.354 5 20 IIBD C/C=C(/C)C(=O)NC1(c2ccc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCC4)cc2)CCC1 1790045604 YMLDURVWWRCGMG-CQPUUCJISA-N 435.480 4.244 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1)c1ccccc1C1CC1 1823131656 ZDGHVQFQMNRGDB-GOSISDBHSA-N 449.467 4.408 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCCCN2C(=O)CCC2CCC2)CC1 1824348252 KQJMAVZPMHKUPU-QHCPKHFHSA-N 441.572 4.337 5 20 IIBD C[C@@H](NC(=O)COC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 9352035 UOJYPTWLEOVLRH-LLVKDONJSA-N 443.308 4.414 5 20 IIBD O=C(CNc1cc([N+](=O)[O-])ccc1Nc1ccccc1)Nc1cccc(C(=O)NC2CC2)c1 11617847 LFEJLVCNYWWJPM-UHFFFAOYSA-N 445.479 4.281 5 20 IIBD C[C@H](OC(=O)[C@@H]1COc2ccc(Cl)cc2C1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 16796787 BKTVQQPADWGYAY-JQWIXIFHSA-N 439.251 4.023 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 18026155 VWOWFKNGUFFSKO-UHFFFAOYSA-N 449.847 4.391 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)CSc1ccccc1[N+](=O)[O-] 18438132 PEVAZKKQQGHKAA-LBPRGKRZSA-N 438.889 4.228 5 20 IIBD C[C@H](OC(=O)c1cc(F)ccc1Br)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 18966174 IHVLTHUXRCEKPM-QMMMGPOBSA-N 445.628 4.334 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccccc1CSC1=NCCS1 25024376 JPEXHFKTKRCRNT-UHFFFAOYSA-N 445.522 4.035 5 20 IIBD COc1cc(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)c([N+](=O)[O-])cc1OC(F)F 27379247 VWYXHMWJTUGDKI-LBPRGKRZSA-N 447.394 4.366 5 20 IIBD CCCCN1C(=O)CC[C@@H](C(=O)OCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1OC 28237510 JSWIRCUCAAPVDJ-NFBKMPQASA-N 440.496 4.427 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@H](c2nc3ccccc3s2)C1 32697528 GMEQYBJAHLSQCD-OAHLLOKOSA-N 433.493 4.410 5 20 IIBD COc1ccc(C(=O)[C@@H](C)Sc2nc3cc4ccccc4cc3c(=O)n2C)cc1OC 58484700 UYZFCFZAJOVCRM-CQSZACIVSA-N 434.517 4.467 5 20 IIBD COc1cc(I)c(Cl)cc1C(=O)N(C)c1ccc([N+](=O)[O-])cc1 116875479 UATNWKRHEKIYGN-UHFFFAOYSA-N 446.628 4.138 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cc(C)cc([N+](=O)[O-])c3)cc2)cc1 195693445 SBGNLQMNOFCRQK-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD Cc1cc(N)nc(S[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)n1 253477714 HGKUHWHYDKAFDC-QGZVFWFLSA-N 429.889 4.401 5 20 IIBD CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 301871510 KNCIGJKUYALGND-UHFFFAOYSA-N 433.468 4.080 5 20 IIBD O=C(c1ccc(N[C@@H]2CCCOc3cc(Cl)ccc32)c([N+](=O)[O-])c1)N1CCOCC1 302000833 IZERVXHVBRWPDV-QGZVFWFLSA-N 431.876 4.046 5 20 IIBD Cc1cc(NC2CCN(CC(=O)Nc3ccccc3)CC2)c(Br)cc1[N+](=O)[O-] 302677407 NHISQPBVYMWTFB-UHFFFAOYSA-N 447.333 4.181 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC(c2nc3cc(Cl)ccc3o2)CC1 302681745 XDUYGYRQFIGWPA-UHFFFAOYSA-N 435.889 4.177 5 20 IIBD O=C(Nc1ccc(F)c(C(F)(F)F)c1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303413399 AQHMRUWFFLUYCF-LBPRGKRZSA-N 431.367 4.058 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)COc1ccc(Br)cc1[N+](=O)[O-] 303839541 BJEZWVSBCPDXIZ-UHFFFAOYSA-N 429.654 4.345 5 20 IIBD C[C@@H](Cc1ccccc1C(F)(F)F)Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] 428148140 VIQDOBLWRZVYDD-AWEZNQCLSA-N 437.418 4.129 5 20 IIBD C[C@@H](C1CC1)n1cc(NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cn1 428195469 OAEKSZWWOGEBHO-HNNXBMFYSA-N 447.495 4.312 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)C(=O)N(Cc3ccccc3)c3ccccc32)c1 430826327 VQRZSADCFMLCTQ-QGZVFWFLSA-N 445.475 4.433 5 20 IIBD Cn1cc(CN(CCc2ccccn2)Cc2cccnc2)c(-c2ccc([N+](=O)[O-])cc2)n1 430872576 KBLYLRMCOGPYNZ-UHFFFAOYSA-N 428.496 4.030 5 20 IIBD CCN(Cc1ccc2c(c1)OCO2)C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 435950622 RUMFKOKZRFVIFR-UHFFFAOYSA-N 436.414 4.351 5 20 IIBD CC1CCN(C[C@@H]2CCCN(C(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)C2)CC1 436254240 SOKNOJGSSCWWKR-SFHVURJKSA-N 435.543 4.405 5 20 IIBD CCNC(=O)Nc1cccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 436307905 OMNMGVOUJHCEHK-UHFFFAOYSA-N 436.418 4.353 5 20 IIBD O=C(Nc1ccc2c(c1)S(=O)(=O)CC2)c1ccccc1Sc1ccccc1[N+](=O)[O-] 441061941 HKPVGKIDKCBGQY-UHFFFAOYSA-N 440.502 4.328 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N(Cc1cccc(O)c1)CC1CC1 443206250 AYAOPSYLMZBZKV-UHFFFAOYSA-N 431.297 4.208 5 20 IIBD CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCc1nc(C(F)(F)F)cs1 443517834 FKVALFGTOVOEBW-UHFFFAOYSA-N 442.375 4.012 5 20 IIBD O=C(Cc1ccc(NC(=O)C2CC2)cc1)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 443826739 BFACHJXWPSWHAS-UHFFFAOYSA-N 443.459 4.356 5 20 IIBD Cc1cccc(N2CCN(CCCCNC(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CC2)c1 443971814 WUVCLIXJWISPAH-UHFFFAOYSA-N 439.560 4.244 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCc1nc([C@@H](c2ccc(Br)cc2)C(C)C)no1 445254685 ALODGIYIRGLMNQ-QGZVFWFLSA-N 434.294 4.276 5 20 IIBD Cc1cc(=O)c(-c2nc(-c3ccc(Cl)cc3Cl)no2)nn1-c1ccccc1[N+](=O)[O-] 445453706 CITVPVMWIXWSHQ-UHFFFAOYSA-N 444.234 4.473 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 445993172 DGAZIVCZRJWNAV-WBVHZDCISA-N 437.418 4.487 5 20 IIBD COc1ccc(C)cc1-n1nnnc1SCc1ccc([N+](=O)[O-])cc1C(F)(F)F 448105322 QTPRBXQSVNYPRB-UHFFFAOYSA-N 425.392 4.199 5 20 IIBD COc1cc(C(=O)NC[C@@H](C)Oc2cccc(Cl)c2)c([N+](=O)[O-])cc1OC(F)F 460423643 CRUKSSTYOZBHJI-SNVBAGLBSA-N 430.791 4.056 5 20 IIBD CCSCC[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCO1 461688539 XHAFUMNYPRZGIZ-APWZRJJASA-N 433.578 4.390 5 20 IIBD COc1cc(CN2CC[C@](CO)(c3ccccc3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 463046368 ZTYQTLADWVAOFT-SANMLTNESA-N 448.519 4.318 5 20 IIBD O=C1CC[C@]2(C(=O)Nc3ccc([N+](=O)[O-])c4ncccc34)Sc3ccc(Cl)cc3N12 463134715 LZUURECVWQGUCK-HXUWFJFHSA-N 440.868 4.364 5 20 IIBD CC(C)[C@H](C)N1Cc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc34)c2C1 464423361 YUAXACSARAPDBD-HNNXBMFYSA-N 440.525 4.304 5 20 IIBD O=C1C[C@@]2(CCCN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccc(Cl)cc3)C2)CN1 464527808 VGZBIRLMDAIQSZ-NRFANRHFSA-N 445.928 4.142 5 20 IIBD CCc1c(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cnn1-c1ccccc1 466479350 UUWFAVNGVAHNRP-UHFFFAOYSA-N 441.296 4.451 5 20 IIBD CCCN(CCC)C(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 466978701 IABPJUDHVHMJHN-UHFFFAOYSA-N 425.532 4.028 5 20 IIBD C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCc1ccc([N+](=O)[O-])cc1Cl 468043871 YOIKSKKLOKZWQZ-ZDUSSCGKSA-N 430.892 4.104 5 20 IIBD CN(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@H]1CCOc2ccc(Br)cc21 470637011 XQZGXECWQGUEKF-KRWDZBQOSA-N 434.290 4.065 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(C)nn1[C@H]1CCN(Cc2ccccc2)C1 471050884 ACZKWFNSQGOJRN-IBGZPJMESA-N 449.511 4.198 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@]2(C1)OCc1ccccc12 471590194 VDXHAOPCGXLNCL-HXUWFJFHSA-N 435.402 4.074 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC4(CCC4)C3)cc2)cc1[N+](=O)[O-] 473334111 JMLCOKZZVITXOA-UHFFFAOYSA-N 443.525 4.110 5 20 IIBD O=C(N[C@@H](CO)c1c(Cl)cccc1Cl)c1ccc2[nH]c3ccccc3c(=O)c2c1 478444431 GCQRJQDHODPMPV-IBGZPJMESA-N 427.287 4.452 5 20 IIBD O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@H]21)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 478552887 NTFSYIKRTSHUCH-IOMROCGXSA-N 445.441 4.285 5 20 IIBD CCOc1cc(OCC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)ccc1[N+](=O)[O-] 478733977 SRLJBYHUVGSBLN-HSZRJFAPSA-N 444.484 4.047 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CC[C@H]4[C@@H](CCCN4C)C3)cc2[N+](=O)[O-])n1 483560088 OCAYHLVKJWFMNJ-HOTGVXAUSA-N 432.571 4.067 5 20 IIBD COc1cc(CS(=O)(=O)Cc2cc3ccccc3o2)c([N+](=O)[O-])cc1OC(F)F 486740011 FEJRZGIUYBAXTC-UHFFFAOYSA-N 427.381 4.066 5 20 IIBD COc1ccc(-c2ccc(CN[C@@H](C)c3nc(-c4cc(C)ccn4)n[nH]3)o2)c([N+](=O)[O-])c1 486792365 DTBPNOOPDVXFTR-AWEZNQCLSA-N 434.456 4.203 5 20 IIBD CSc1cccc(C(=O)N2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)c1[N+](=O)[O-] 486965340 IUNKOTQUPGLCRH-ICSRJNTNSA-N 425.554 4.443 5 20 IIBD Cc1ccc(-n2cnc3c2CCN([C@H](C)c2nnc(-c4ccc([N+](=O)[O-])cc4)o2)C3)cc1 487973355 SFINAYXQVRCBGT-MRXNPFEDSA-N 430.468 4.258 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(-c2ccc(Cl)s2)o1 488837742 ZEOHDYCUWWTLLC-MRVPVSSYSA-N 440.890 4.488 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 489318400 WAZDGEVHEMFCRM-LLVKDONJSA-N 437.403 4.314 5 20 IIBD O=[N+]([O-])c1cnn(CCSc2nnc(-c3ccccc3Cl)n2-c2ccccc2)c1 489826652 ZSMMFBKFFVXWJU-UHFFFAOYSA-N 426.889 4.485 5 20 IIBD Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3F)cc2)ccc1[N+](=O)[O-] 490798441 ZJSRCCJOADLOCB-UHFFFAOYSA-N 447.419 4.235 5 20 IIBD C[C@@H]1Oc2ccc(C(=O)C3CCN(Cc4c(Cl)cccc4[N+](=O)[O-])CC3)cc2NC1=O 491852350 OICJBPKSCSHAHJ-ZDUSSCGKSA-N 443.887 4.063 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(Br)c(F)c2)cc1OC 494856487 LDTWRTIEEPNQHQ-UHFFFAOYSA-N 441.253 4.176 5 20 IIBD COc1ccc(Oc2ccc(Cl)cc2NC(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 495163316 IGVBTGSSSFBMJF-UHFFFAOYSA-N 431.836 4.067 5 20 IIBD CCC(CC)(CNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)N[C@H](C)c1ccccc1 495254814 PAKBTEOFCCRIPQ-GOSISDBHSA-N 442.564 4.047 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1c[nH]cc(Br)c1=O 496584689 ZPSISCBMIHTWNP-UHFFFAOYSA-N 426.292 4.046 5 20 IIBD CC(=O)Nc1cccc([C@@H](C)NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 497818925 AEMBEQFAEBOYLH-GFCCVEGCSA-N 438.406 4.251 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 498844887 ANZOUALNYGCVCR-FQEVSTJZSA-N 447.438 4.010 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)cc1[N+](=O)[O-] 500361414 OFEFHDFIEXNYQH-HZKQVJRISA-N 425.323 4.067 5 20 IIBD COC(=O)c1cc(Cl)ccc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 500766696 HSJQXMOHTMRQNJ-UHFFFAOYSA-N 432.738 4.228 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 502404854 IAWSDHRWAIWPGO-WFASDCNBSA-N 438.839 4.351 5 20 IIBD COc1cc(-c2noc(Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)n2)ccc1OC(F)F 504576659 BGJQNFJDPUCCMG-UHFFFAOYSA-N 443.366 4.167 5 20 IIBD O=C(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(I)cc1 505034611 FQMQXXQMJGDIOQ-UHFFFAOYSA-N 449.204 4.065 5 20 IIBD O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 505422393 PBYICZVYXHAPLO-INIZCTEOSA-N 426.301 4.092 5 20 IIBD Cc1cc(C)cc(Oc2ccc(NC(=O)C(=O)NCCc3ccc([N+](=O)[O-])cc3)cc2)c1 506401280 GDKIDJIIKXORSP-UHFFFAOYSA-N 433.464 4.301 5 20 IIBD COc1ccc([C@H]2CCCN2C(=O)COc2cc(C)c([N+](=O)[O-])cc2Cl)cc1OC 506538942 OPGUGOCAXAQJEM-MRXNPFEDSA-N 434.876 4.316 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(Cc1ccc(F)cc1Cl)CC1CC1 506683687 SNHYSTUXYRPJIX-UHFFFAOYSA-N 433.867 4.381 5 20 IIBD Cc1ccc(S(=O)(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)c([N+](=O)[O-])c1 507433652 JMLPUJMNKIYUJA-MRXNPFEDSA-N 439.493 4.195 5 20 IIBD O=C(N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)c1cc2c(cc1[N+](=O)[O-])OCCO2 508485261 XBYBJJXSKYMKOW-CJNGLKHVSA-N 436.386 4.451 5 20 IIBD CC(C)CN(C(=O)[C@H](C)NC(=O)C1CCCC1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 509286554 LMNLOUDVYCVQBG-HNNXBMFYSA-N 444.557 4.402 5 20 IIBD CCOc1cc(CN(CCn2ccnc2)Cc2ccc(Br)o2)ccc1[N+](=O)[O-] 510871163 BZZPJHLLWWFCNL-UHFFFAOYSA-N 449.305 4.248 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)NC(=O)N(C)CCc3cccc([N+](=O)[O-])c3)n2)cc1F 511558240 YICXBCQPROKRRZ-CQSZACIVSA-N 427.436 4.037 5 20 IIBD O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 511822217 IYQXIWZYHNHQER-MRXNPFEDSA-N 432.402 4.099 5 20 IIBD C[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1nc2ccccc2n1C(F)F 512246651 ZBZVRFBNGAAKPE-LBPRGKRZSA-N 426.383 4.016 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 513329940 RXSPUAHMHXWTFF-SFHVURJKSA-N 427.354 4.276 5 20 IIBD C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)COc1cccc([N+](=O)[O-])c1)OCCO3 514901711 KRSXTMKVEVSANR-MRXNPFEDSA-N 438.480 4.160 5 20 IIBD Cc1ccc(NC(=O)Nc2ccccc2)cc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 515632831 CTXVIZJCRAASBG-UHFFFAOYSA-N 426.454 4.348 5 20 IIBD COc1ccc(S(=O)(=O)N(Cc2c(F)cccc2F)C2CCCC2)cc1[N+](=O)[O-] 517872664 QWJKZVIXKJXTHD-UHFFFAOYSA-N 426.441 4.015 5 20 IIBD COc1cc(OCC(=O)Nc2cc(Cl)cc(Br)c2OC)ccc1[N+](=O)[O-] 519059043 BUXXUADYRDGHMO-UHFFFAOYSA-N 445.653 4.045 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)Nc3ccc(CNC(N)=O)cc3)cc2[N+](=O)[O-])cc1 520032224 ZOKQYXVTROQOAJ-UHFFFAOYSA-N 436.493 4.475 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cccc(COCC3CC3)c2)ccc1[N+](=O)[O-] 522535770 GQAVNFKJMPBNAQ-JOCHJYFZSA-N 437.496 4.073 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H](C)Cc2c(C)noc2C)cc1 523089264 QCDGMUDQYWZSFM-ZDUSSCGKSA-N 425.441 4.362 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccccc1C(=O)N1CCCCC1 523881636 KSWUWVFBKGDXDK-UHFFFAOYSA-N 431.876 4.282 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 527345559 QZIDHBGERJBTGK-UHFFFAOYSA-N 441.390 4.364 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H](c2nc3ccccc3s2)C1 533333845 CTDJHBWXZZYJND-CQSZACIVSA-N 426.498 4.031 5 20 IIBD O=C(c1cncc(I)c1)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 533874794 BLCSIQGJBBQKRN-UHFFFAOYSA-N 437.237 4.184 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@@H]1Cn1cnc2ccccc21 534459229 RQQIOZHMZHVILT-LJQANCHMSA-N 436.515 4.196 5 20 IIBD O=C(Nc1cc(Br)cc(Cl)c1O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 536457545 AIPFCPXSGDSIOV-UHFFFAOYSA-N 437.637 4.154 5 20 IIBD CCCN1C(=O)CCc2cc(NC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])ccc21 536941046 SRDVCUANYOARGU-UHFFFAOYSA-N 431.876 4.345 5 20 IIBD CN(C(=O)c1ccc(OCC(F)(F)F)nc1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 537150662 KAQVIUGMINHQEX-UHFFFAOYSA-N 438.387 4.331 5 20 IIBD CCN(CCC1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1)CC1CC1 538949648 SVHBINHTJMSDQE-INIZCTEOSA-N 436.984 4.409 5 20 IIBD O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)c1 539638557 LACGJEUQMMVLLR-ROUUACIJSA-N 428.432 4.369 5 20 IIBD COc1cc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2O)ccc1OCc1cscn1 539751250 SCEGJLSCAUGMPX-UHFFFAOYSA-N 435.845 4.250 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnn(Cc3noc(Cc4ccc(Br)cc4)n3)c2)c1 540858367 KCFMMNREYGVTAW-UHFFFAOYSA-N 440.257 4.243 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1I 541584045 WIKNDUBNLOALTD-SNVBAGLBSA-N 428.201 4.389 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 542034066 ZKIZZWGOZQXTOY-KRWDZBQOSA-N 439.438 4.180 5 20 IIBD CC(=O)N[C@H](CC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1c(F)cccc1F 543854307 XJQHYIQRCXPVRI-CQSZACIVSA-N 431.317 4.098 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c1 544639269 AOFLKQDDLGLBFX-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD CC(C)(C)Oc1ccc(C(=O)N2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)cc1 544690494 PNLCBTQUBNQWJA-UHFFFAOYSA-N 437.500 4.001 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2cccc(OCC(F)F)n2)no1 545137120 WTGFCTHHXOBKAA-VIFPVBQESA-N 426.763 4.477 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1noc(COc2ccc(Oc3ccccn3)cc2)n1 546376311 KCQLQRGPPDPDAD-UHFFFAOYSA-N 433.424 4.399 5 20 IIBD CCCN(CCC)S(=O)(=O)c1ccc(-c2nc(Cc3ccccc3[N+](=O)[O-])no2)cc1 546947689 SGQXAYQFIQYGNB-UHFFFAOYSA-N 444.513 4.046 5 20 IIBD O=C1N[C@@](c2ccccc2)(C(F)(F)F)C(=O)N1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F 549336972 OVWCGUUJCPCGRC-MRXNPFEDSA-N 447.291 4.123 5 20 IIBD CC[C@@H](CO)NC(=O)c1ccc(NCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)cc1 550065560 GBWJZBACLGCBSI-FQEVSTJZSA-N 448.523 4.476 5 20 IIBD O=C(c1ccccc1[N+](=O)[O-])N1CCN(Cc2cc(Br)c(Cl)s2)CC1 552141029 IZPHXORLXVUJHA-UHFFFAOYSA-N 444.738 4.030 5 20 IIBD CCC[C@@H](C)C(=O)NCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 552292881 HOCNIDCTTNWYEJ-CYBMUJFWSA-N 438.322 4.259 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 552530400 FJNVCNNSTRRANZ-QWHCGFSZSA-N 442.463 4.234 5 20 IIBD CC[C@H](c1ccccc1OC)N(C)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 557863217 IKUXLXPAYYYOPA-MRXNPFEDSA-N 443.319 4.138 5 20 IIBD CCOCc1cccc(NC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 558978880 OHSXZQJGDDQRGI-UHFFFAOYSA-N 426.395 4.384 5 20 IIBD Cc1ccc(C(=O)NC2CCN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)CC2)s1 559144171 HVWZPMSMPHRHEI-UHFFFAOYSA-N 427.448 4.378 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 560820746 OAHXNAGVXJAPSL-UHFFFAOYSA-N 429.542 4.110 5 20 IIBD C[C@@H](CNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)CN(C)C 561093020 VHGMAHQJIMGMQY-IQFISFIMSA-N 438.553 4.449 5 20 IIBD C[C@@H](C(=O)N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1ccc([N+](=O)[O-])cc1F 561427983 IMLSPLVOHDDPKG-XCLFUZPHSA-N 440.393 4.374 5 20 IIBD COc1ccc([C@@H](Cc2ccccc2)NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)cc1 569412827 LKYGBLMALYEABG-HSZRJFAPSA-N 440.521 4.049 5 20 IIBD COc1cccc(NC(=O)COc2ccc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cc2)c1 603479671 AUZGMLNIRYEYOL-UHFFFAOYSA-N 435.436 4.182 5 20 IIBD CCOc1ccc(-c2nc(C)c(C(=O)NCCNc3ccccc3[N+](=O)[O-])s2)cc1 603565184 DFDTYLNOGJBGOC-UHFFFAOYSA-N 426.498 4.267 5 20 IIBD Cc1c([C@H](C)NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(F)cc1 603575165 MRHTWQKZSHZDEU-HNNXBMFYSA-N 425.464 4.298 5 20 IIBD CCOc1cc(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)c([N+](=O)[O-])cc1OC 604200737 WRAOKNOZWRDDEK-OAQYLSRUSA-N 441.528 4.205 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCCN(C(=O)C(C)C)CC3)cc2[N+](=O)[O-])cc1 609024994 PDAMQJVPIYDVCI-UHFFFAOYSA-N 441.553 4.385 5 20 IIBD O=C(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)N[C@@H](c1ccccc1)c1cccc(Cl)c1 609053917 NHMQKUAMUGWLBS-QFIPXVFZSA-N 447.882 4.413 5 20 IIBD COc1ccccc1-c1cccc(NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 609550026 LZCVEUVMDYMWDN-UHFFFAOYSA-N 439.855 4.292 5 20 IIBD COc1ccc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2Br)cc1OC 610062865 CLNVZGXXZKKSBN-MRXNPFEDSA-N 435.274 4.352 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)cc1SC 610184066 BHIBHKAPYGWEND-UHFFFAOYSA-N 426.454 4.468 5 20 IIBD COc1cc(C(=O)Nc2ncc(Cl)s2)c([N+](=O)[O-])cc1OCc1cscn1 610486526 LXOBUPJMYYRJNC-UHFFFAOYSA-N 426.863 4.001 5 20 IIBD CCOC(=O)c1ccc(CNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)o1 610622284 WLFUNSBFXPHMPW-UHFFFAOYSA-N 447.494 4.211 5 20 IIBD CN(C)CCCOC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC1 611211623 MSIDQBLGEQGOIN-UHFFFAOYSA-N 435.590 4.202 5 20 IIBD O=C(COc1c([N+](=O)[O-])cnc2ccc(Br)cc12)Nc1c(F)cccc1F 612661193 TUDCBHXUMDFOGD-UHFFFAOYSA-N 438.184 4.201 5 20 IIBD CC(C)=C[C@@H]1[C@H](C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)C1(C)C 613261737 XTZAKSBAFTWSAB-GDBMZVCRSA-N 435.527 4.061 5 20 IIBD Cc1nc(Cl)cc(N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)n1 726967643 SXTJTOUUGQJQGJ-UHFFFAOYSA-N 429.933 4.397 5 20 IIBD Cc1ccc2cc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4C(F)(F)F)CC3)[nH]c2c1 727399384 QYQOQSDPEIIJTH-UHFFFAOYSA-N 432.402 4.366 5 20 IIBD CCOc1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cc1 727584962 CERYFEDSIWGENQ-UHFFFAOYSA-N 438.406 4.366 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N1CCC[C@@H](C2OCCO2)C1 728055326 OTRJZSKEUVHUIR-OXQOHEQNSA-N 445.903 4.013 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Oc1cc(Cl)ccc1Cl 728575945 AWIYBDVVPYSTQF-UHFFFAOYSA-N 427.059 4.432 5 20 IIBD CCCCN(C)c1ccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 730507639 GCDSSJRSSPUXJQ-UHFFFAOYSA-N 440.529 4.363 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cccc(CN(C)C(=O)OC(C)(C)C)c2)cc1[N+](=O)[O-] 732525407 IGLUKCWYNKPGBN-UHFFFAOYSA-N 435.502 4.071 5 20 IIBD O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCc2ccc(Br)cc21 732746074 BZROFUNAVXLJBA-UHFFFAOYSA-N 426.064 4.323 5 20 IIBD COc1cc(CNCc2cccc3c2OCCO3)ccc1OCc1ccc([N+](=O)[O-])cc1 733332313 YYCQBRPTELDHQY-UHFFFAOYSA-N 436.464 4.243 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)cc1[N+](=O)[O-] 734400853 JFEGGUVBYDGMHS-WJOKGBTCSA-N 439.449 4.372 5 20 IIBD CC(C)c1nc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)nn1-c1cccc(F)c1 735516696 WZIUQGAZBUIJQF-UHFFFAOYSA-N 435.419 4.080 5 20 IIBD O=C(Nc1ccccc1C(=O)NCC1(O)CCCCCC1)c1ccc([N+](=O)[O-])cc1Cl 735825373 VVUHTUQHHUHFFS-UHFFFAOYSA-N 445.903 4.316 5 20 IIBD C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 738810759 UBPACESTCYVPSE-GFCCVEGCSA-N 425.359 4.402 5 20 IIBD C[C@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 745074073 OLDGZOGHQQSYPE-NSHDSACASA-N 435.820 4.004 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 747418745 MEFNIANWNOBUCU-SJLPKXTDSA-N 426.366 4.481 5 20 IIBD Cc1cc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)ccc1N1CCSCC1 749820081 FEFPZTDUFHSGAK-UHFFFAOYSA-N 436.331 4.471 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)cc1[N+](=O)[O-] 752246611 GITUXYBYGUQGKV-INIZCTEOSA-N 449.287 4.111 5 20 IIBD Cc1c(C(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 754122327 GDNRJKVDLKWIQR-CQSZACIVSA-N 433.848 4.396 5 20 IIBD Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754993771 LGYNGMWGKQZZIZ-UHFFFAOYSA-N 438.253 4.195 5 20 IIBD CCc1nnc(-c2cccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3Br)c2)o1 755020026 SYXWOMMBESJNCF-UHFFFAOYSA-N 435.209 4.361 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1cccc([N+](=O)[O-])c1 755268844 VQYSJKMHLCULRQ-UXHICEINSA-N 431.533 4.308 5 20 IIBD O=C(COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)N[C@@H](Cc1ccccc1)c1ccccc1 756766943 DRTLVUMUZONIAK-QFIPXVFZSA-N 443.459 4.333 5 20 IIBD COC(=O)c1cc(C(=O)OCc2nc(C)c(-c3ccc(Cl)cc3)o2)cc([N+](=O)[O-])c1 757021224 IHMHNOIELNZCFT-UHFFFAOYSA-N 430.800 4.355 5 20 IIBD CN1CCC[C@H](COC(=O)c2cc([N+](=O)[O-])cn2C)[C@H]1c1ccc(C(F)(F)F)cc1 757892005 CGLAFWZOYOKGPH-RDTXWAMCSA-N 425.407 4.192 5 20 IIBD Cc1ncc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1Cl 758500852 YNDJMOVHSSSYDM-MRVPVSSYSA-N 432.647 4.442 5 20 IIBD O=C(Nc1ccccc1)c1ccc(C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 758674352 KAQHKNKXDXJPHM-UHFFFAOYSA-N 444.403 4.254 5 20 IIBD CC(C)(C)OC(=O)NC1(CC(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCC1 760531687 WGUBGEBFGOVVLA-UHFFFAOYSA-N 431.445 4.131 5 20 IIBD Cc1cc(-c2noc([C@H](C)NC(=O)NCc3cc([N+](=O)[O-])ccc3Cl)n2)ccc1F 760801941 VADGUQUKDSQNCL-NSHDSACASA-N 433.827 4.306 5 20 IIBD COC(=O)c1ccc(OC(=O)c2sc(COc3ccc(F)cc3)nc2C)cc1[N+](=O)[O-] 763700410 KKVIKGOFHHQAQY-UHFFFAOYSA-N 446.412 4.084 5 20 IIBD CC[C@H](C)N(C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)[C@@H](C)CC 767509018 FROXWKCTDGSTQL-HOTGVXAUSA-N 434.514 4.402 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NC[C@H](O)c2ccc(C)cc2)c([N+](=O)[O-])c1 770161904 PVNHGSTUSKHSKG-QFIPXVFZSA-N 434.448 4.066 5 20 IIBD COc1ccccc1COC1CCN(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 770377263 ZCNGEAKNSQTOJA-UHFFFAOYSA-N 449.301 4.187 5 20 IIBD CN(C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 771763079 BIUZQVXVJKXIPJ-GFCCVEGCSA-N 432.399 4.087 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)O[C@H](C)C(=O)N(C)c2ccccc2)CC1 772445435 CCFDANJAGASHDZ-QGZVFWFLSA-N 425.485 4.039 5 20 IIBD O=C(Oc1ccc(S(=O)(=O)c2ccccc2)cc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 777946527 FRVRYARXQNDIBL-UHFFFAOYSA-N 433.388 4.125 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(CC(=O)O[C@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)cc1 778788401 RALYWOGULMSILC-FQEVSTJZSA-N 441.484 4.306 5 20 IIBD COc1cc(COC(=O)c2cnc(-c3ccccc3)nc2)c([N+](=O)[O-])cc1OCC(F)F 780064449 JMCYTMPYAGXZHJ-UHFFFAOYSA-N 445.378 4.061 5 20 IIBD COc1ccc(-c2nc(Cc3noc([C@H]4CC(c5ccccc5[N+](=O)[O-])=NO4)n3)co2)cc1 781609754 MHKAKESSWVAKEF-LJQANCHMSA-N 447.407 4.098 5 20 IIBD Cc1cc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1OCC(F)(F)F 781646666 MHFRVGJWVNONMN-UHFFFAOYSA-N 427.335 4.324 5 20 IIBD CCOc1cc(N2CCC(OC(=O)C[C@@H]3CCO[C@H](C(C)C)C3)CC2)ccc1[N+](=O)[O-] 781808524 PWJVYELFKZXWKY-UTKZUKDTSA-N 434.533 4.347 5 20 IIBD O=C(NC[C@@H]1CCCCN1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)Nc1ccccc1 782737593 TWDJTPCBSZQPHU-SFHVURJKSA-N 445.907 4.134 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H](O)c1ccccc1C(F)(F)F 786347424 IJJHUWMNGZIJHF-HNNXBMFYSA-N 447.207 4.148 5 20 IIBD O=C(COC(=O)Cc1csc(Cc2cccc(Cl)c2)n1)Nc1ccccc1[N+](=O)[O-] 787011873 GTUBEUQZGIAFFM-UHFFFAOYSA-N 445.884 4.020 5 20 IIBD Cc1cnc(COC(=O)CC2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)c(C)c1[N+](=O)[O-] 789436907 CRSSIWOCVVNPBY-ALOPSCKCSA-N 433.505 4.218 5 20 IIBD CN(C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1=O 789703779 CECRRXUNGWARTL-QFIPXVFZSA-N 444.491 4.212 5 20 IIBD COc1ccc(C(=O)C2CCN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])CC2)cc1 790499206 HSNBSXOVHGRWHR-UHFFFAOYSA-N 434.851 4.060 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccnc(F)c1F 791459543 KZMNASKRCUIHMF-UHFFFAOYSA-N 433.392 4.426 5 20 IIBD O=C(OCc1ccccc1)[C@@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1Br 791950872 CMOISDDEHUVOME-KRWDZBQOSA-N 447.285 4.095 5 20 IIBD COc1ccc(OC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)cc1[N+](=O)[O-] 792116341 KHSGEHWDFGJTLF-UHFFFAOYSA-N 442.737 4.076 5 20 IIBD CC(C)c1nsc(COC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1 793220580 BMBAFTDKTUCXSW-CYBMUJFWSA-N 427.486 4.495 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2cc(Br)cnc12 795367481 NMYQDZQSFJHFPQ-UHFFFAOYSA-N 440.250 4.154 5 20 IIBD COc1cccc(NC(=O)[C@H](OC(=O)c2cccc([N+](=O)[O-])c2OC)c2ccccc2)c1 796310726 RQEHCLOWXIRLJK-HXUWFJFHSA-N 436.420 4.149 5 20 IIBD CCCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)[C@H](C)CC(=O)Nc1ccccc1 800237118 XSRGZUFTSFIFJP-CQSZACIVSA-N 442.472 4.389 5 20 IIBD COc1ccc(C2=NO[C@@H](CNC(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)C2)cc1 801387731 XPIIFYRXEGYGNL-QGZVFWFLSA-N 429.498 4.027 5 20 IIBD COCCn1c(Cc2ccc3ccccc3c2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 802343557 WRKODBVINXQCDX-UHFFFAOYSA-N 431.496 4.213 5 20 IIBD CN(C)C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1ccc(F)cc1 807786604 ICHBMIUKFPTFEX-AWEZNQCLSA-N 444.688 4.183 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3cncc(C(F)(F)F)c3)CC2)ccc1[N+](=O)[O-] 808987087 FFMPHKKGJBZTIY-UHFFFAOYSA-N 439.390 4.233 5 20 IIBD O=C(NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F)Nc1cccc([N+](=O)[O-])c1Cl 809913552 NNGYXNUQHCNBRD-HNNXBMFYSA-N 438.189 4.473 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)CC2)C1 812351269 KAZSIICUKBLBKL-MRXNPFEDSA-N 442.516 4.185 5 20 IIBD C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813087437 SHDWKGAJBZMGJY-GHMZBOCLSA-N 432.304 4.277 5 20 IIBD COc1ccc(C(=O)C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1Cl 813304624 FMSMFVQFURQMLG-UHFFFAOYSA-N 432.841 4.306 5 20 IIBD CC(C)(C)OC(=O)N1CCc2nc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])sc2C1 815536484 VWSGAAIPTYXUJL-UHFFFAOYSA-N 446.529 4.261 5 20 IIBD C[C@@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1ccc(N2CCOC2=O)cc1 817225039 CUYDCHXNFFYMGX-OAHLLOKOSA-N 432.436 4.104 5 20 IIBD COCC1(CCNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC1 818020416 NBJGFKUTIAXVNL-UHFFFAOYSA-N 445.903 4.437 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)CSCc1ccc(F)cc1 864239331 HXSCGPYDPZOKMQ-UHFFFAOYSA-N 444.488 4.454 5 20 IIBD CCc1cc(C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)n[nH]1 914954617 DKEIHRZANOYKDA-GOSISDBHSA-N 428.832 4.071 5 20 IIBD O=C(NCCc1ccc(N2CCCCC2)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 917163568 CJNOOINDWPDVDQ-UHFFFAOYSA-N 436.556 4.160 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1 919687169 ZBQGTLKCERGIHX-SSGOSMAHSA-N 431.851 4.420 5 20 IIBD C[C@@H](c1nn(CN2CCc3ccc([N+](=O)[O-])cc32)c(=S)n1-c1ccc(F)cc1)N(C)C 919947937 QXWYSXZCJKTSHM-AWEZNQCLSA-N 442.520 4.093 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Br)C1 1116674128 UQGLWXFPBQMLKU-ZDUSSCGKSA-N 428.327 4.094 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCc1nnc(-c2cc(-c3ccncc3)nc3ccccc23)o1 1345703416 WZCXSMWCJCUSTL-UHFFFAOYSA-N 427.424 4.003 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1C1CC1)c1cc(F)cc([N+](=O)[O-])c1 1803519053 OFXPTBYBYTWAKD-REPLKXPHSA-N 437.471 4.177 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C2CCCCC2)[nH]n1)c1ccc([N+](=O)[O-])o1 1814311782 QBNAQAZILAEPNQ-KAMXEHQASA-N 441.488 4.353 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2C2CC2)[nH]n1)c1ccc([N+](=O)[O-])o1 1814313323 HTZCZJCSLXPKSV-SFHVURJKSA-N 449.467 4.408 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2cc(F)ccc2[N+](=O)[O-])n[nH]1 1823487952 FBWOYOIGURKSEF-LIRRHRJNSA-N 445.495 4.128 5 20 IIBD CCOc1c(Cl)cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC 9552794 NMWFIVLFFVSACA-UHFFFAOYSA-N 443.239 4.104 5 20 IIBD CC(C)c1cccc(NC(=O)COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 10723472 STQUZCZONQADOG-UHFFFAOYSA-N 428.488 4.460 5 20 IIBD Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(S(=O)(=O)N2CCC(C)CC2)c1C 14798642 SZKJAMHNSZWUOB-UHFFFAOYSA-N 445.541 4.193 5 20 IIBD O=C(CCSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)Nc1cccc([N+](=O)[O-])c1 15629383 CRBVKHJEOCTANW-UHFFFAOYSA-N 444.538 4.034 5 20 IIBD CCCc1ccc([C@H](NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)C)cc1 18091112 UURZQAQJGFBWAX-OAQYLSRUSA-N 429.542 4.252 5 20 IIBD Cn1c(SCC(=O)c2cccc(N3CCCC3=O)c2)nc2cc3ccccc3cc2c1=O 18591029 ACITZIQMWZEYEL-UHFFFAOYSA-N 443.528 4.189 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(c2nc3ccccc3s2)CC1 26227625 VLLLLNGMSIHIAM-UHFFFAOYSA-N 440.525 4.421 5 20 IIBD CCOc1ncccc1NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 27514234 FYYFRWFLHOSGFI-UHFFFAOYSA-N 438.406 4.262 5 20 IIBD CCCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)Nc1cccc(N2CCCC2)c1 72067391 OUMSZMLTILZUSM-OAQYLSRUSA-N 438.528 4.431 5 20 IIBD O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1Cl 107944845 CQLAZWYDVAPUEV-UHFFFAOYSA-N 429.782 4.356 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)cc1[N+](=O)[O-])c1ccccn1 108830124 VMAHDEPAPCQBDD-MRXNPFEDSA-N 447.495 4.046 5 20 IIBD CC(C)NS(=O)(=O)Cc1ccc(CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 108931141 SELJQHSVFVPFBV-UHFFFAOYSA-N 431.436 4.054 5 20 IIBD CC1CCN([C@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c2cccs2)CC1 109265562 WBFZWIHHSNFOAN-HXUWFJFHSA-N 439.541 4.045 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 111040724 NXRPWVQEMZQPIQ-UHFFFAOYSA-N 445.882 4.281 5 20 IIBD COc1cc(CNC2CCN(CC(C)C)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 237113861 UIJHUSHDDCDMQJ-UHFFFAOYSA-N 427.545 4.392 5 20 IIBD COc1ccccc1[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1noc(C)n1 237240241 OWZWDJVEBIHPCH-LJQANCHMSA-N 437.481 4.298 5 20 IIBD O=C(NCCNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1c(F)cccc1F 237880636 LENLFYQGICPVPS-UHFFFAOYSA-N 445.397 4.324 5 20 IIBD O=C(NC1CCCCC1)N1CCC(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 237928296 MBHMSUMAYWNDEV-UHFFFAOYSA-N 443.573 4.315 5 20 IIBD CC[C@@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccncc1 303852880 KJJVFPAGGBJTFE-QGZVFWFLSA-N 436.434 4.493 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(Br)c(F)c2)cc1[N+](=O)[O-] 304054259 PHJWPYKPOVQFQA-UHFFFAOYSA-N 429.267 4.377 5 20 IIBD CCOc1cc(C(=O)Nc2c(SC)cnn2-c2ccccc2)c([N+](=O)[O-])cc1OC 429874220 VKIAWTOSKPPLCO-UHFFFAOYSA-N 428.470 4.162 5 20 IIBD O=C(c1cn(-c2ccc(Cl)c(Cl)c2)cn1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 430417871 VWZCSDMKLQSUEE-UHFFFAOYSA-N 446.294 4.050 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3cccc(-c4ncco4)c3)CC2)ccc1[N+](=O)[O-] 432306486 HYYFQLULJMRFDG-UHFFFAOYSA-N 437.456 4.003 5 20 IIBD O=C(NC[C@H]1CCN(c2ccccc2)C1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436113935 XDVKKZJFMWVJBR-OAHLLOKOSA-N 433.458 4.216 5 20 IIBD Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 436232437 JYHSBAUNFRZMIU-UHFFFAOYSA-N 425.488 4.478 5 20 IIBD O=[N+]([O-])c1cc(-c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)ccc1O 436555986 MLTVFERVJUEOKX-UHFFFAOYSA-N 444.856 4.298 5 20 IIBD CC(C)c1nc2ccc(NC(=O)C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)cc2s1 437065290 SCXAJQWFZKMUGH-UHFFFAOYSA-N 438.509 4.458 5 20 IIBD CC(C)CCOc1cccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c1 438746302 UHIQCAVQIBLZAE-UHFFFAOYSA-N 437.399 4.198 5 20 IIBD CS(=O)(=O)c1ccc(NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 440588989 QIQULRYVIZJENG-UHFFFAOYSA-N 427.438 4.435 5 20 IIBD CCOC(=O)c1ccnc(NCc2nc(COC)sc2-c2ccccc2)c1[N+](=O)[O-] 440656707 CZWYBNCNOAYAIW-UHFFFAOYSA-N 428.470 4.049 5 20 IIBD COc1ccc(NC(=O)CNC(C)(C)Cc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 442768980 PLLKMVZLSYSPKL-UHFFFAOYSA-N 425.407 4.172 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Cc1ncc(-c2cccs2)o1 443193244 AZGITJJNCBXWCB-UHFFFAOYSA-N 429.273 4.048 5 20 IIBD C[C@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(Br)s1 444536575 QXHSMEWGRCKOOU-JTQLQIEISA-N 435.303 4.310 5 20 IIBD CCCOc1cc(NC(=O)N2CCC[C@@H](c3nccn3C)C2)c([N+](=O)[O-])cc1OCCC 444836584 MBMYWMVLYQZPAY-MRXNPFEDSA-N 445.520 4.317 5 20 IIBD CN(Cc1nc(CC(=O)Nc2cc(Cl)ccc2Cl)no1)c1ccccc1[N+](=O)[O-] 445330327 DWZNECKKXRLDIA-UHFFFAOYSA-N 436.255 4.102 5 20 IIBD COc1ccc(NC(=O)Cc2noc([C@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)cc1OC 445374184 WMLOACDLFMCWLD-LBPRGKRZSA-N 444.469 4.030 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cccc(C(=O)N(C)CC(C)(C)C)c3)n2)c1 445579274 JFHVGONOCYICGI-UHFFFAOYSA-N 438.484 4.362 5 20 IIBD CCCc1c(NC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cnn1-c1ccccc1C 446302064 IAWYKFPCBGNCSJ-UHFFFAOYSA-N 433.472 4.239 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 446893242 DTYVMQHSYSQRPM-UHFFFAOYSA-N 436.447 4.181 5 20 IIBD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)n1 447527316 GFFMRCVWMMQLNN-ZTFGCOKTSA-N 439.438 4.042 5 20 IIBD CCOCCCn1c(-c2cccc(Cl)c2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 460715917 KQVTZNPVUUIAPD-UHFFFAOYSA-N 441.919 4.496 5 20 IIBD Cc1ccc(S(=O)(=O)N(CC2(C)COC2)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 462561068 YWIUDWZOTUSRCZ-UHFFFAOYSA-N 444.431 4.154 5 20 IIBD CNc1c(C(=O)Nc2ccc(OC)c(NC(=O)C3CCCCC3)c2)cccc1[N+](=O)[O-] 462996246 VWKJJFFMYJMPMF-UHFFFAOYSA-N 426.473 4.416 5 20 IIBD C[C@H]1CCN(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)CC12CCCCC2 463209001 HOGDURBTJREMIG-HNNXBMFYSA-N 429.546 4.307 5 20 IIBD Cc1nc(-c2ccc(CCNC(=O)C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)s2)cs1 464003314 DXUOQLHTOXZSAL-UHFFFAOYSA-N 444.538 4.002 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(C[S@@](=O)Cc3nnc(-c4ccccc4)s3)co2)cc1 466996110 LBRUPYHYTOKGED-GDLZYMKVSA-N 426.479 4.217 5 20 IIBD C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C[C@]2(CCO[C@@H]2C)O1 468530471 JVDBIPKOTYXUDH-MCFFVMPBSA-N 428.510 4.155 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(COC2CCCCC2)c1 468743397 LRVNSDALBKEZRG-IBGZPJMESA-N 429.521 4.315 5 20 IIBD COc1ccc(S(=O)(=O)N(C)[C@H](C)c2sc(-c3ccccc3)nc2C)cc1[N+](=O)[O-] 469269351 IAGANIXDKKEDHQ-CQSZACIVSA-N 447.538 4.417 5 20 IIBD COc1ccc(Br)c(CN(C)C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 469865328 XOYAWYQJPPSFBY-UHFFFAOYSA-N 432.274 4.048 5 20 IIBD COc1cc(C(=O)NCC(C)(C)c2ccc(C(F)(F)F)cc2)cc([N+](=O)[O-])c1OC 469944636 RFHDHGQOBIJYSS-UHFFFAOYSA-N 426.391 4.338 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@H](CN(C)CC3CC3)C2)c([N+](=O)[O-])c1 470979100 YKOLGJDMUWKWGJ-HYBUGGRVSA-N 436.556 4.247 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCSC[C@H]1c1nccs1 472118921 YWLREKIJYGAOOE-LBPRGKRZSA-N 449.501 4.479 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 472548371 DFFBOWFUDZIFJY-LJQANCHMSA-N 427.819 4.232 5 20 IIBD C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1noc(Cc2ccccc2)n1 473908392 FVJXBXBYTRTXFD-ZDUSSCGKSA-N 435.465 4.183 5 20 IIBD COc1ccc(F)c2[nH]c(C(=O)N[C@H](CC(=O)OC(C)C)c3ccccc3[N+](=O)[O-])cc12 474431786 KUMJEFZRLJPDAA-MRXNPFEDSA-N 443.431 4.037 5 20 IIBD Cc1c(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cccc1C(=O)N1CCc2sccc2C1 477813886 FNKWWXSSQVVISV-UHFFFAOYSA-N 437.477 4.121 5 20 IIBD CC1(c2cccc(Cl)c2)CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC1 478461101 ZAEXIZSMKAPPCX-UHFFFAOYSA-N 443.931 4.279 5 20 IIBD CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)c1cc([N+](=O)[O-])nn1C 478595221 VOWJBZQUSDSHIV-UHFFFAOYSA-N 435.695 4.220 5 20 IIBD O=C(Nc1nc([C@@H]2C[C@H]3CC[C@H]2C3)cs1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 482355326 XCIJJQGZRIGGEV-XPCVCDNBSA-N 446.554 4.260 5 20 IIBD CNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 485133165 KDHNMLKEYFPLAM-OAQYLSRUSA-N 433.489 4.064 5 20 IIBD CC(=O)Nc1ccc(-c2csc(NC(=O)COc3ccc([N+](=O)[O-])c(C)c3)n2)cc1 485371432 IWFMJCAIBRJSLG-UHFFFAOYSA-N 426.454 4.003 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(Br)c3c2OCCC3)c(C)c([N+](=O)[O-])c1 486105072 CABIZGXXNCLTAE-UHFFFAOYSA-N 449.257 4.030 5 20 IIBD O=C(CCNC(=O)c1ccc2ccccc2c1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 486712776 AMRFMAMVPXBHEU-UHFFFAOYSA-N 445.397 4.203 5 20 IIBD O=C(c1cc(C(F)(F)F)ccc1Br)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 487044915 LXRXIQBMFBEIBZ-UHFFFAOYSA-N 447.211 4.050 5 20 IIBD CN1CCC(N(C)c2ccccc2CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 487166091 OEACXIPAHYHACU-UHFFFAOYSA-N 436.478 4.434 5 20 IIBD O=C(NC1(c2c(Cl)cccc2Cl)CCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 487226555 AFFUXOVHYZXOMG-UHFFFAOYSA-N 432.267 4.292 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccccc2OCc2csc(C)n2)c(C)c([N+](=O)[O-])c1 489764402 OGKCTLFZXRHJJJ-UHFFFAOYSA-N 441.465 4.286 5 20 IIBD CCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)C(=O)Nc1ccccc1C 490045100 RZFPVADJFHKLQK-OAHLLOKOSA-N 432.908 4.234 5 20 IIBD CCOc1cc(CN[C@H](C)c2cc(F)ccc2N2CCN(CC)CC2)ccc1[N+](=O)[O-] 492776635 VJYSYXZTLPTNCO-QGZVFWFLSA-N 430.524 4.125 5 20 IIBD COc1ccccc1[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccn1 497598777 SFHVYFFUNGDPOS-IBGZPJMESA-N 429.379 4.119 5 20 IIBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)[C@@H]1C[C@@H]1c1ccc(Br)cc1 499287567 LRSWYHSVTOYFOJ-ZIAGYGMSSA-N 433.258 4.261 5 20 IIBD COc1ccc(S(=O)(=O)N(Cc2cccnc2)c2cc(C)ccc2Cl)cc1[N+](=O)[O-] 500759850 UNGCIMRBAFCPHO-UHFFFAOYSA-N 447.900 4.356 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C)c(N2C(=O)CCC2=O)c1 503027459 AOCMZLIHLCDFQU-UHFFFAOYSA-N 427.482 4.311 5 20 IIBD COc1ccc(Br)cc1[C@H]1CCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] 504926514 VLBUADJAYXDCCA-MRXNPFEDSA-N 449.301 4.499 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2nnc3ccccn23)C1 507307605 YGZNIKFRBDLONU-HNNXBMFYSA-N 425.514 4.159 5 20 IIBD COc1cc(CN2CCC[C@H](c3nc(C)no3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 509342442 IPPKQCCTKHYYPK-SFHVURJKSA-N 438.484 4.253 5 20 IIBD CCCNC(=O)c1ccc(NC(=O)c2cc(OCC)c(OC)cc2[N+](=O)[O-])cc1Cl 509382945 CCRCPXWNRVATAQ-UHFFFAOYSA-N 435.864 4.048 5 20 IIBD O=C1C[C@@H](C(F)(F)F)N(C(=O)CSCc2ccc([N+](=O)[O-])cc2)c2ccccc2N1 513817083 AJIIYBBAZIXLPE-INIZCTEOSA-N 439.415 4.134 5 20 IIBD O=C(NC[C@H](c1ccccc1)N1CCc2sccc2C1)c1n[nH]c2ccc([N+](=O)[O-])cc12 514174404 MHRVWJUOYFWUNY-HXUWFJFHSA-N 447.520 4.062 5 20 IIBD Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c1 514641282 UGGNKFSTXQBJLD-UHFFFAOYSA-N 425.514 4.448 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)ccc1O 514644393 UDDXWSJBAGUMMF-UHFFFAOYSA-N 445.419 4.110 5 20 IIBD C[C@@H](NC(=O)C[C@@H](NC(N)=O)c1cccc(Oc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 516523069 RHVOAICSBOKPIH-OPAMFIHVSA-N 448.479 4.364 5 20 IIBD O=C(COc1ccc(-c2ccccc2)cc1[N+](=O)[O-])Nc1cccc(C(=O)NC2CC2)c1 518660700 AKYXQUCGNXEBGX-UHFFFAOYSA-N 431.448 4.172 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(CO[C@H]2CCC[C@H](C)C2)c1 519876609 XJPMRIDHIGWOGI-KXBFYZLASA-N 434.514 4.500 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1 522651614 AHPHCBKYWNIBLJ-NDEPHWFRSA-N 436.555 4.285 5 20 IIBD O=C(O)c1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc([N+](=O)[O-])c1 531748813 LMQCLXHQOIRFEG-UHFFFAOYSA-N 429.772 4.044 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C 535013790 COBCKJCYXWDMRE-SFHVURJKSA-N 437.949 4.019 5 20 IIBD O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)c1cc2c(cc1[N+](=O)[O-])OCO2 535443178 UHRGUNNSNIZYKR-UHFFFAOYSA-N 431.857 4.073 5 20 IIBD CCCOc1cc(NC(=O)c2ccc(-n3ccnn3)cc2)c([N+](=O)[O-])cc1OCCC 535503117 DDCAEVDVTNOABX-UHFFFAOYSA-N 425.445 4.005 5 20 IIBD CO[C@H]1CCC[C@@H]1CNC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 537141243 OHBGIMJOFLZHPE-BEFAXECRSA-N 428.510 4.093 5 20 IIBD COc1ccc(NC(=O)c2c(C)nc(-c3ccc(F)cc3)nc2SC)cc1[N+](=O)[O-] 541073477 ZQKBDAQXHKPNAB-UHFFFAOYSA-N 428.445 4.482 5 20 IIBD CCc1ccc([C@@H](Nc2ccc(N3CC[C@@H](N(C)C)C3)cn2)c2ccc([N+](=O)[O-])cc2)o1 542499452 BXKFLGJDKOARBG-YKSBVNFPSA-N 435.528 4.487 5 20 IIBD COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)CCn2cc([N+](=O)[O-])nc2C)c1 544250778 UIOUVWUPNNNDFP-XUZZJYLKSA-N 434.496 4.256 5 20 IIBD C[C@@H](C(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1F 544523158 ZNEMABRNFCOXJD-CQSZACIVSA-N 443.456 4.277 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(CCc3nc4cc(C(F)(F)F)ccc4s3)n2)nc1 545782674 INZCRCWOCQPXIJ-UHFFFAOYSA-N 435.387 4.377 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cc2OC(F)F)cc1OC 545819548 JRXSFGMECSQVGS-UHFFFAOYSA-N 446.790 4.136 5 20 IIBD COc1cc(CNCc2ncn(-c3ccccc3)n2)ccc1OCc1ccc([N+](=O)[O-])cc1 549934198 CYUCACYYOZCMNM-UHFFFAOYSA-N 445.479 4.053 5 20 IIBD Cc1nc([C@H](NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c2ccccc2F)no1 555889402 SIADXPPWOCSHMJ-MRXNPFEDSA-N 449.236 4.016 5 20 IIBD C[C@@H](C(=O)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1)c1ccc([N+](=O)[O-])cc1F 561846237 LXBXMCUBGCJBQU-XIKOKIGWSA-N 442.365 4.336 5 20 IIBD Cc1cc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)nn1-c1ccc(F)cc1F 561877964 UKRTXIZLFMSNLI-UHFFFAOYSA-N 426.301 4.638 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3cc(OCC(F)F)ccn3)no2)c(Br)c1 568339333 LMIOTUWXBZXDCN-UHFFFAOYSA-N 427.161 4.113 5 20 IIBD CCN(C(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1)[C@@H](C)C(C)C 569532521 UJBVUHTWSDCZAL-INIZCTEOSA-N 433.530 4.211 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1c2ccccc2CC12CCOCC2 570891442 KZTKLFYOPUSDFY-NRFANRHFSA-N 430.888 4.228 5 20 IIBD Cc1cc(=O)c(-c2nc(-c3ccc(OC(C)(C)C)cc3)no2)nn1-c1ccccc1[N+](=O)[O-] 571217301 WRUJMZYJUCHISL-UHFFFAOYSA-N 447.451 4.343 5 20 IIBD O=C1CCc2nc(N3CCN(Cc4ccc(-c5ccccc5[N+](=O)[O-])s4)CC3)ccc21 578357728 QYIAVKZYLKGTAT-UHFFFAOYSA-N 434.521 4.169 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CNC2(c3nccs3)CCCC2)c1 581516958 GALUNEKOHFVLLL-UHFFFAOYSA-N 429.283 4.215 5 20 IIBD Cc1cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)n(-c2ccccc2C(F)(F)F)n1 585715984 UZMNFLVMVICYIQ-UHFFFAOYSA-N 434.330 4.089 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(NS(=O)(=O)Cc2ccccc2)c1 590453705 AQTWDVBPSUYQMQ-UHFFFAOYSA-N 425.466 4.097 5 20 IIBD Cc1ccc(C(C)C)c(Oc2ccc(CNCCCN(C)S(C)(=O)=O)cc2[N+](=O)[O-])c1 603633145 BFXVVSGBHXEXRW-UHFFFAOYSA-N 449.573 4.190 5 20 IIBD COc1cc(OCC(=O)N[C@@H](C)c2sc(-c3ccccc3)nc2C)ccc1[N+](=O)[O-] 604457927 LLAAEBHDBBMADH-ZDUSSCGKSA-N 427.482 4.292 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@@H](CC(=O)O)c3ccccc3)CC2)c1 604498312 KLSOBPYBWLPTNN-SFHVURJKSA-N 428.510 4.427 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(CNCc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)C[C@@H](C)O1 608836521 OLILBPIUDAGILA-QZTJIDSGSA-N 449.507 4.394 5 20 IIBD CC[C@@H](C)[C@H](NC(=O)c1cc(C)cc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 609174855 XKYSWLKSQQDWEO-VGSWGCGISA-N 438.528 4.287 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)c1 609647160 YGPBMAFKOFKABT-CYBMUJFWSA-N 425.432 4.344 5 20 IIBD COc1c(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)c(C)nn1C 609796886 SLWVEWMPHJGRGZ-UHFFFAOYSA-N 448.838 4.160 5 20 IIBD COc1ccc(C2(CNC(=O)c3cc(OC)c(OC)c([N+](=O)[O-])c3)CCCCC2)cc1 610195968 DFBDZEZGRAXDAC-UHFFFAOYSA-N 428.485 4.253 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H](C)C[C@@H]2CCOC2)cc1[N+](=O)[O-] 610742745 SKTCYRLOQVWVIH-CABCVRRESA-N 428.510 4.093 5 20 IIBD CCNC(=O)COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cc1 611200106 YLPJITFAMOOVJY-UHFFFAOYSA-N 443.525 4.397 5 20 IIBD COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)Oc2ccc(OC)cc2[N+](=O)[O-])cc1 726730896 ABAYZMOYWBCUOR-UHFFFAOYSA-N 440.383 4.223 5 20 IIBD CC(C)CNC(=O)c1cccc(COC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 727513872 UTJDGUSABBDIQV-AWEZNQCLSA-N 434.876 4.145 5 20 IIBD COc1ccc(CC(=O)OCc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1[N+](=O)[O-] 727881906 JVDRKNYVIJLTDE-UHFFFAOYSA-N 438.223 4.246 5 20 IIBD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(N)c([N+](=O)[O-])c1 727899815 NWHALTZNFVQOJY-SECBINFHSA-N 445.781 4.342 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccccc1OCc1cccs1 730612892 BLGLGGSCYSVSKE-UHFFFAOYSA-N 426.450 4.339 5 20 IIBD CCN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@H](c1cccnc1)c1ccc(F)c(F)c1 732962237 AEORSADTFCXAGE-QFIPXVFZSA-N 445.397 4.424 5 20 IIBD O=C(C[C@H]1OCCc2ccccc21)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 734313807 IOPZWLCGHNFKBZ-JOCHJYFZSA-N 432.432 4.457 5 20 IIBD O=C(NC[C@@H](O)COc1cccc(F)c1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 735368798 RARKIKITNGXLSD-GOSISDBHSA-N 441.415 4.088 5 20 IIBD COc1ccccc1/C=C(\C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 735822172 SFVKLNQMCUGSRF-AREJXAQWSA-N 444.491 4.252 5 20 IIBD CN(CCCNC(=O)OC(C)(C)C)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 736043970 KYBWHRGSJRXGAA-UHFFFAOYSA-N 428.489 4.325 5 20 IIBD Cc1ccc([C@H]2CCCCCN2C(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)o1 737750608 FRVLXVJWOAZSBQ-MAUKXSAKSA-N 429.448 4.132 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 742559933 YHZIYSUIBCLENH-LJQANCHMSA-N 429.521 4.014 5 20 IIBD CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1C 744554734 VNFRPDHFHBZZLA-INIZCTEOSA-N 441.484 4.161 5 20 IIBD COc1ccc(OCCOC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)c([N+](=O)[O-])c1 744967695 CIVLVQBAYVWCPP-UHFFFAOYSA-N 432.816 4.077 5 20 IIBD O=C(COC(=O)c1ccc(OC2CCC2)cc1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 745673511 WAUFPAIRMSKHPZ-UHFFFAOYSA-N 438.358 4.340 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 746253979 KYLOTZVIVMOPRM-SIKLNZKXSA-N 427.476 4.062 5 20 IIBD Cc1c(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748609218 CAWOCKGHXPUDTG-IBGZPJMESA-N 446.891 4.340 5 20 IIBD C[C@H](NC(=O)N1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 751082857 KNMGHQABYYDIQL-INIZCTEOSA-N 446.548 4.477 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1)c1ccco1 751153905 XSCMMRNJRTZDKA-UHFFFAOYSA-N 431.198 4.422 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H](O)c1cccc(C(F)(F)F)c1 752562676 BHEOLVSNYOUNBB-CQSZACIVSA-N 434.823 4.209 5 20 IIBD CO[C@H]1C[C@H](NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1(C)C 753314182 QLGNXAHUVXLRLF-ROUUACIJSA-N 431.876 4.044 5 20 IIBD CN(C)[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1ccccc1Cl 754974777 RLDFUVJIJZXRMB-HNNXBMFYSA-N 444.688 4.183 5 20 IIBD O=C(OCCCc1nc2ncccn2n1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 755746278 ZIQNFOODGGEXJM-UHFFFAOYSA-N 441.513 4.104 5 20 IIBD C/C(=C\c1ccccc1Cl)C(=O)N(C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 756514988 IQNLSBBOAKPHQY-PKNBQFBNSA-N 429.281 4.152 5 20 IIBD COc1ccc(Br)cc1C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760525744 IVLTUFCINDPXKC-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD CC(C)[C@@H](NC(=O)OC(C)(C)C)c1noc(CCOc2ccc(Cl)cc2[N+](=O)[O-])n1 762031024 XWCXMMIKQAPXTM-MRXNPFEDSA-N 440.884 4.475 5 20 IIBD O=C(NC[C@@H](O)c1cc2ccccc2s1)c1cc(F)cc([N+](=O)[O-])c1Br 762257832 GNGSERFAZIRCNY-CYBMUJFWSA-N 439.262 4.175 5 20 IIBD O=[N+]([O-])c1ccc(CCc2nc(-c3ccc(F)cc3C(F)(F)F)no2)c([N+](=O)[O-])c1 763314323 WIDVLQUDRJIJPR-UHFFFAOYSA-N 426.282 4.496 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCCCC[C@H]1C[C@@H](O)c1ccccc1 765173296 GJZMOAYMQAJVQS-WMZHIEFXSA-N 434.496 4.289 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(NCC2(c3ccc(OC)cc3)CCOCC2)cc1Cl 765473410 YXSWRASBSJSRJW-UHFFFAOYSA-N 434.876 4.204 5 20 IIBD O=C(NC[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1)Nc1cccc(F)c1 765485475 YACSDFFLIFKLBF-ZDUSSCGKSA-N 434.855 4.061 5 20 IIBD O=C(O[C@H]1CCO[C@@H](C2CCOCC2)C1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 765638135 HCTNVIJRVFUYJN-NZQKXSOJSA-N 440.496 4.338 5 20 IIBD O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 767146728 UHNQVSVJMMVMMY-UHFFFAOYSA-N 435.261 4.418 5 20 IIBD CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)N2Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 769631036 ANQZZMKHAVZDQK-ZNXRZULTSA-N 443.504 4.055 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCc2ccc(C(C)(C)O)cc2)cc1[N+](=O)[O-])c1ccccn1 773912919 JLLKDUYMIFKABH-MRXNPFEDSA-N 434.496 4.320 5 20 IIBD COc1ccc(CNc2ccc(-n3ccnc3)nc2)cc1OCc1ccc([N+](=O)[O-])cc1 777513104 XMABZFMNRNRDEW-UHFFFAOYSA-N 431.452 4.375 5 20 IIBD COC1CCN(c2ccc(NC(=O)c3c(N)cccc3[N+](=O)[O-])cc2C(F)(F)F)CC1 779513803 LMZVXAMIERVZSI-UHFFFAOYSA-N 438.406 4.063 5 20 IIBD Cc1c(C(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cnn1C1CCCCC1 781454978 YRASWLOUXQWBDV-UHFFFAOYSA-N 427.505 4.073 5 20 IIBD CC1=C(C(=O)Nc2cccc(Cl)c2)[C@@H](c2ccc([N+](=O)[O-])cc2Cl)NC(=S)N1 783937781 HCBHXYJUKKMKRB-MRXNPFEDSA-N 437.308 4.333 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc(CC[C@@H](O)c2ccccc2)cc1 786775768 XBLNSWMELAGQRY-OAQYLSRUSA-N 426.494 4.408 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1cncc(Cl)n1 790116428 VOLICPMRBSANDU-UHFFFAOYSA-N 432.845 4.196 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(CN3CCN(c4ccccn4)CC3)cc2)c1F 790335333 XSYSWRIAXUMCSU-UHFFFAOYSA-N 449.486 4.012 5 20 IIBD COc1ccccc1-c1nc(C2CCN(Cn3nc(C)c4ccc([N+](=O)[O-])cc43)CC2)no1 790455836 OCNURBMEOPNBES-UHFFFAOYSA-N 448.483 4.149 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCCc1ccc(F)c(Br)c1 790542799 QWIMWMSSVDOHII-UHFFFAOYSA-N 433.636 4.190 5 20 IIBD COc1ccc(-c2noc([C@H](C)OC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])n2)cc1 790745052 LELWVBJWXVCSHA-JTQLQIEISA-N 435.795 4.293 5 20 IIBD CN(Cc1ccc(Br)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 791182661 DZOHADYCEKHAJA-UHFFFAOYSA-N 431.645 4.187 5 20 IIBD Cc1ccc([C@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])c2ccccn2)cc1 795208266 HBDKVLFXNAUXKU-IBGZPJMESA-N 433.436 4.496 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1c1noc(-c2cc([N+](=O)[O-])ccc2N2CCCC2)n1 795769203 UYNVYHRWKCXPEO-KRWDZBQOSA-N 429.477 4.317 5 20 IIBD COc1c(C(=O)OCc2nc(O)c3c(-c4ccccc4)csc3n2)cccc1[N+](=O)[O-] 796740541 BFZQGRNQJRJCBY-UHFFFAOYSA-N 437.433 4.338 5 20 IIBD O=C(OCc1nnc(-c2ccccc2Br)o1)c1ccc(Cl)cc1[N+](=O)[O-] 798123125 NASYUNLAGLHMEC-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD Cn1cc(CN2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 799739174 RJWXKMNADBJQKQ-QGZVFWFLSA-N 443.548 4.122 5 20 IIBD COc1ccc(C[C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)c2ccccc2)cc1OC 801871043 DXEJHBYNAQEGAX-LJQANCHMSA-N 439.443 4.047 5 20 IIBD COc1cc(C(=O)Nc2ccc(O)c(COC(C)C)c2)c([N+](=O)[O-])cc1OC(F)F 811593196 MDPCEHPUDXOQNA-UHFFFAOYSA-N 426.372 4.088 5 20 IIBD Cc1nn(-c2ccc(-c3nc(CCC(C)(C)[N+](=O)[O-])no3)cc2)c(C)c1Br 812811821 KTTRIECDUBAHJZ-UHFFFAOYSA-N 434.294 4.290 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1cnnc(-c2ccccc2)c1 812831435 NAWMQCRGDWGQRO-UHFFFAOYSA-N 444.451 4.153 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)N(c2ccsc2)C2CCCCC2)cc1[N+](=O)[O-] 814274712 YCTFMWLPNDPXRK-UHFFFAOYSA-N 439.515 4.363 5 20 IIBD COc1cc(Cl)cc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 815460241 IPSMIVSKVLYCOF-SECBINFHSA-N 446.765 4.460 5 20 IIBD C[C@H](c1ccc(F)cc1)N1CCC[C@@H](OC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1=O 816405771 XAOURHDADQNZAB-ZUOKHONESA-N 425.416 4.124 5 20 IIBD O=C(OCC(=O)N(c1ccccc1)C1CCCCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 849194145 CFKDHDVJTXOIGI-UHFFFAOYSA-N 448.479 4.303 5 20 IIBD Cc1ccc(N(Cc2ccco2)C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)cc1C 914513815 IMCDMHZZROQJRA-UHFFFAOYSA-N 428.466 4.055 5 20 IIBD CC(=O)Nc1cc2ccccc2cc1C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 914888500 XWVDCZXHXYRMDX-UHFFFAOYSA-N 432.392 4.113 5 20 IIBD CCCC(=O)Nc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc1 917181192 UMDQIBDYCQAWKL-UHFFFAOYSA-N 438.528 4.500 5 20 IIBD CC1=C(C(=O)N(C)C)[C@H](c2csc([N+](=O)[O-])c2)NC(=S)N1c1cc(C)cc(C)c1 917375696 SMHWBECLOMQNHQ-SFHVURJKSA-N 430.555 4.071 5 20 IIBD O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)c1ccc(Br)c([N+](=O)[O-])c1 917769115 ZHHRYEGYEHKNFH-UHFFFAOYSA-N 426.217 4.488 5 20 IIBD CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2cc(Cl)cc(Cl)c2)NC(=S)N1 917880150 WDNJNUFTQZAUNY-MRXNPFEDSA-N 437.308 4.333 5 20 IIBD CCN(C(=O)[C@H](C)OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc2ccccc12 918023721 MRNXKIUOYMWPPH-AWEZNQCLSA-N 436.420 4.075 5 20 IIBD O=C(NCCc1cccnc1)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 918258106 FSDQGUOMQFBWJL-UHFFFAOYSA-N 444.535 4.421 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc(N(C)c3ccccc3)nc2)cccc1[N+](=O)[O-] 919214049 JBJVKJRWHVQXTP-INIZCTEOSA-N 434.452 4.250 5 20 IIBD CC(C)(C)c1ccc(C(=O)OCc2csc(-c3ccc(C(N)=O)cc3)n2)cc1[N+](=O)[O-] 920514238 FBWQKRUVLQCLOZ-UHFFFAOYSA-N 439.493 4.472 5 20 IIBD C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(-c2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1 1328073300 VLXRLLWHEQZXLQ-IYBDPMFKSA-N 436.468 4.480 5 20 IIBD COc1ccc(NC(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c([N+](=O)[O-])c1 1345371104 PHVQQISSEQBNKZ-UHFFFAOYSA-N 435.362 4.130 5 20 IIBD Cc1nn(Cc2ccc(-c3nnc(-c4c(C)nc5ccccn45)o3)cc2)c(C)c1[N+](=O)[O-] 1348951395 JVPKJNCOGCPHEE-UHFFFAOYSA-N 429.440 4.130 5 20 IIBD CC(C)Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2cccc([N+](=O)[O-])c2)cc1 1792477086 ILNRKOHYKWPVOW-NUNAXRQHSA-N 449.551 4.288 5 20 IIBD O=C(/C=C/C1CCCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1[N+](=O)[O-] 1804345436 LMBRTOJHVFRBOD-DPARKMJVSA-N 437.540 4.383 5 20 IIBD CC/C=C(\C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)[nH]n1 1823097844 ZFJIYOPVGWMNDN-LGWVBRRBSA-N 429.452 4.119 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(F)c2F)CC1 1830079512 BOUUPZRJWJDJNF-QGZVFWFLSA-N 447.438 4.013 5 20 IIBD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC([C@@H]2CCCCN2C(=O)/C=C/C2CCCCC2)CC1 1830355615 FZJCAOZEJHWQCK-ZRFOIIEFSA-N 442.560 4.293 5 20 IIBD O=C([C@@H]1C[C@H]1C1CC1)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830612898 LLZFVXJEETWOIQ-BHDDXSALSA-N 443.519 4.013 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nnc1-c1ccncc1 9485567 ASBQJSXFBQDNOF-LLVKDONJSA-N 432.893 4.041 5 20 IIBD CN(C(=O)COC(=O)c1csc(-c2cccc(Cl)c2)n1)c1ccc([N+](=O)[O-])cc1 10984074 ZIXZXKDMYCZVEC-UHFFFAOYSA-N 431.857 4.192 5 20 IIBD O=C(Nc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1)c1ccco1 11146468 XZEZNGOMQXHOAV-UHFFFAOYSA-N 448.479 4.360 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Cl)N[C@@H](c1ccccc1)c1cccs1 18219643 LLCOVKIMTJOLKA-IBGZPJMESA-N 430.869 4.372 5 20 IIBD C[C@H](OC(=O)c1ccc(Cl)cc1O)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 20991530 YMPGSSINZQMQGI-QMMMGPOBSA-N 432.738 4.157 5 20 IIBD O=C(CSc1nnc(C2CC2)n1Cc1ccco1)Nc1ccc([N+](=O)[O-])cc1Cl 21623207 JAMIUDKVXRFQKO-UHFFFAOYSA-N 433.877 4.089 5 20 IIBD Cc1cc(C(=O)OCC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)ccc1[N+](=O)[O-] 22736444 ZIYMMLZWODPNTK-HSZRJFAPSA-N 436.439 4.447 5 20 IIBD C[C@H](OC(=O)[C@@H](C)Oc1cccc(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 24979948 YQFQKJHLSJKEAU-WDEREUQCSA-N 427.240 4.239 5 20 IIBD COc1ccc([C@@H]2CCCN2S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1OC 26232935 YHYKQAIPUUUFAM-INIZCTEOSA-N 440.905 4.100 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nnc(Nc2ccccc2F)s1 26361762 FAEKEMIUVZMPCN-UHFFFAOYSA-N 449.489 4.459 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1Cc1ccccc1 27007345 UEPLCSSVXIZHGJ-INIZCTEOSA-N 434.448 4.378 5 20 IIBD O=C(NCc1cccc(NC(=O)c2cccc(F)c2)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 59800206 HDQGCTGPUWAULW-UHFFFAOYSA-N 448.454 4.491 5 20 IIBD O=C(NCc1cccc(Cn2cnc3ccccc32)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 63676883 QSGNDTMTYSCWTH-UHFFFAOYSA-N 425.448 4.404 5 20 IIBD CCCCN(C)C(=O)C1CCN(c2cc(CC)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 64914851 WZOLLWRNDMTXFL-UHFFFAOYSA-N 425.533 4.089 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl 69231164 OQHJZKVQXLITRB-NXEZZACHSA-N 428.247 4.036 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccnn1Cc1cccc(Br)c1 71924672 OPIVDPCQENDVJP-RMKNXTFCSA-N 427.258 4.254 5 20 IIBD Cc1nn(CCC(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)c(C)c1[N+](=O)[O-] 97544592 LCTKGDCJBFMTCX-UHFFFAOYSA-N 438.922 4.093 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 111039724 QMYBESDKRBATDI-UHFFFAOYSA-N 445.882 4.281 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccccc1SCc1c(C)noc1C 195711198 PPPNRUXYNGZHEA-UHFFFAOYSA-N 427.482 4.431 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 302000618 RNTLHBOOVNCKDX-XLIONFOSSA-N 426.860 4.155 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCO[C@H](c4ccccc4F)C3)cc2[N+](=O)[O-])C1 303160254 HLPXSCNTZLEONT-QZMQVMSPSA-N 441.503 4.430 5 20 IIBD Cc1cnc(-c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2I)[nH]1 427196185 JPTUYPLDNWUTPI-UHFFFAOYSA-N 448.220 4.150 5 20 IIBD Cc1c(NCc2noc([C@@H]3COc4ccccc4O3)n2)cc(Br)cc1[N+](=O)[O-] 429796808 QPTLVIIHSPLZFR-INIZCTEOSA-N 447.245 4.173 5 20 IIBD CCN(CC)[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])Cc1ccccc1 431168930 QVNPAMGFHALUCE-QGZVFWFLSA-N 434.334 4.040 5 20 IIBD O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 431334857 SUILCGAODRGEMT-ZDUSSCGKSA-N 435.249 4.232 5 20 IIBD CC(C)(C)C[C@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccc(F)cc1 435549399 AIOKSWNBQASFSR-KRWDZBQOSA-N 441.459 4.295 5 20 IIBD C[C@@H]1CCCN(C(C)(C)CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 436148572 GBYQRFFAMUBOEV-CQSZACIVSA-N 427.495 4.200 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)F)cc1Nc1ccc2nc(N3CCOCC3)sc2c1 436277748 ZEBCRALOMGLMOL-UHFFFAOYSA-N 425.392 4.199 5 20 IIBD CCCCN1CCCC[C@H]1CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436287496 DBBJZXSPETWKES-INIZCTEOSA-N 427.495 4.344 5 20 IIBD CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc([N+](=O)[O-])cc1O 436860426 GFBPWIJJNBYTTI-UHFFFAOYSA-N 426.256 4.098 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(COC(C)(C)C)c1C 440032289 SLGCBXJPLCTPGL-UHFFFAOYSA-N 429.473 4.194 5 20 IIBD CCc1[nH]nc(C(=O)N(Cc2ccccc2)[C@H](C)c2cccc(NC(C)=O)c2)c1[N+](=O)[O-] 443912199 YIULCTCFTSLUKU-OAHLLOKOSA-N 435.484 4.242 5 20 IIBD C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)Oc1ccc(F)cc1 444093401 AULKQDIOTCPNSX-LBPRGKRZSA-N 426.394 4.296 5 20 IIBD CCOC(=O)COc1ccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1 444286512 AKICKCGEXZPRGV-UHFFFAOYSA-N 434.423 4.015 5 20 IIBD O=C(Nc1n[nH]c(-c2ccccc2F)n1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444693234 NVBVBNBCWUOADL-UHFFFAOYSA-N 435.365 4.136 5 20 IIBD Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(-c3nc(-c4c([N+](=O)[O-])nc(C)n4C)no3)c12 445607720 JEROILDFCMOVHL-UHFFFAOYSA-N 436.476 4.039 5 20 IIBD C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 460597453 MNCMKMJZSWAEBS-ZDUSSCGKSA-N 436.281 4.015 5 20 IIBD CC[C@@H](c1ccccc1)c1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1C[C@@H]1CCOC1 461560741 MLZQMJQEBFNPKX-UGKGYDQZSA-N 449.555 4.444 5 20 IIBD COc1cc(Cc2noc(-c3sc(C(F)(F)F)nc3C)n2)c([N+](=O)[O-])c(OC)c1 463046722 BUQSVDOBADLNCB-UHFFFAOYSA-N 430.364 4.037 5 20 IIBD CC(C)NC(=O)c1ccc(N2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 463072531 VYNOFTAXFXONGV-INIZCTEOSA-N 430.936 4.270 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1Cc2ccccc2C[C@H]1c1ccccc1 464213446 MWIBFCYNJVVQTG-HXOBKFHXSA-N 429.476 4.039 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)c2ncccc12 464417793 PWWGSHAARWFORN-UHFFFAOYSA-N 449.492 4.144 5 20 IIBD O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464639402 OOYVDIHKBBVTCL-UHFFFAOYSA-N 449.294 4.162 5 20 IIBD CCOc1cc(C(=O)N[C@H](CC)c2nc(C(F)(F)F)cs2)c([N+](=O)[O-])cc1OC 465262760 WYFPTXIXYMSNME-SNVBAGLBSA-N 433.408 4.359 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)Nc1cccc(F)c1C 465273577 CUPZWXVMFCSLAC-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD COc1ccc(-c2nc(CC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)cs2)cc1OC 466299373 PJIUZPGQVFSJBD-UHFFFAOYSA-N 447.900 4.248 5 20 IIBD O=C(Nc1ccc(Cc2nnc3n2CCCCC3)cc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 468572751 ZUTZBDURUJKTAW-UHFFFAOYSA-N 430.468 4.237 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(C(=O)N2CCC[C@@H](C)C2)cc1C 470871499 FBLFICUWWBSNOS-OAHLLOKOSA-N 425.485 4.426 5 20 IIBD CCN(CCCN1CCCC1)C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 472974174 BKBOMHFHHBBBBL-GOSISDBHSA-N 425.533 4.111 5 20 IIBD C[C@@H](CCNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)N(C)Cc1ccccc1 474156146 ZAWMLACJWUXZAI-INIZCTEOSA-N 441.919 4.117 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N(Cc1cccc(Br)c1)CC1CC1 474389632 OFJCIIVXAQRPHA-UHFFFAOYSA-N 439.331 4.099 5 20 IIBD CC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 475296512 MHFDAGQTTLVAGP-IBGZPJMESA-N 429.860 4.003 5 20 IIBD Cc1c(CNC(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cccc1[N+](=O)[O-] 478796231 NSQDWQKDPMHLHL-UHFFFAOYSA-N 433.390 4.107 5 20 IIBD CCn1c(SC[C@H](O)COc2ccc(C)cc2C)nnc1-c1ccc([N+](=O)[O-])cc1 480387036 TYHGLEZFMDFSQX-GOSISDBHSA-N 428.514 4.022 5 20 IIBD CCN([C@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C 481447757 DWCCXLLQWVGXAM-JOCHJYFZSA-N 425.510 4.407 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)cc1SC 483442985 VBUBJONEQPCJNZ-UHFFFAOYSA-N 444.509 4.296 5 20 IIBD C[C@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 486482747 ZLZOBFZUAFZFAE-VIFPVBQESA-N 425.392 4.208 5 20 IIBD COc1c(F)cc(S(=O)(=O)Nc2ccc(Sc3ccncc3)cc2)cc1[N+](=O)[O-] 488226827 DBCXQTVEDIFTCE-UHFFFAOYSA-N 435.458 4.090 5 20 IIBD O=C(Nc1cc(F)ccc1SCC(F)F)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 488463267 QJUWXFANNLXVQB-UHFFFAOYSA-N 429.424 4.157 5 20 IIBD CCn1c(S[C@H](C)C(=O)N(C)Cc2ccccc2)nnc1-c1ccc([N+](=O)[O-])cc1 489416470 TYRBBLSMRVKPSO-OAHLLOKOSA-N 425.514 4.012 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc1OC 491001763 IOTNORKUNOKJRJ-CQSZACIVSA-N 445.541 4.357 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2C[C@@H](CC(=O)N(C)C)c3cc(Cl)ccc32)cc1[N+](=O)[O-] 493260481 SIDOAMNUPAONBY-GOEBONIOSA-N 444.919 4.409 5 20 IIBD Cn1ccnc1CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC1 493504592 IXAAILJHEKCLCC-UHFFFAOYSA-N 433.512 4.035 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC1(c2ccccc2Cl)CCOCC1 493912866 QRLCUGYODFWKBG-UHFFFAOYSA-N 431.920 4.181 5 20 IIBD COC(=O)CC1CCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 497734356 PVNDWQILAYOWGU-OAQYLSRUSA-N 445.903 4.203 5 20 IIBD O=C(CCSc1ccc2c(c1)OCCO2)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 498149734 PZKUXPVUMFFEIW-FQEVSTJZSA-N 432.523 4.122 5 20 IIBD COc1cc(Br)cc(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c1 498317701 PLADXFZRAKPGFP-UHFFFAOYSA-N 447.188 4.228 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N(Cc1ccc(Cl)cc1)C1CC1 498326631 SHMVVCXSLHYRQQ-UHFFFAOYSA-N 429.860 4.128 5 20 IIBD COC(=O)[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)Cc1cccc2ccccc12 498627429 SNSVYSZSJPGMCK-SFHVURJKSA-N 432.432 4.256 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 500525818 IPDYUZHZHBBMNX-NRFANRHFSA-N 442.468 4.127 5 20 IIBD CCCN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@@H](C)CC(=O)Nc1ccccc1 500689123 QYMBVGACAJULNF-KRWDZBQOSA-N 435.484 4.050 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 502815920 XICCVPGNSXFBLF-SFHVURJKSA-N 429.498 4.467 5 20 IIBD COc1ccc(CNC(=O)NC2(c3ccc(Br)cc3)CCC2)cc1[N+](=O)[O-] 502986454 HRYLWHCCGJAIIF-UHFFFAOYSA-N 434.290 4.245 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 503477505 REPDEVFQROMQNT-UHFFFAOYSA-N 445.475 4.378 5 20 IIBD Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)nn1CCCOc1ccc(F)cc1 504372941 YFKULSATOYKLFY-UHFFFAOYSA-N 430.411 4.028 5 20 IIBD Cn1c(SCc2nc3cc(Br)ccc3o2)nc2cc([N+](=O)[O-])ccc2c1=O 506383833 ULFTYVGLBLVZGL-UHFFFAOYSA-N 447.270 4.038 5 20 IIBD Cc1ccccc1-n1nc(C)c(CN(C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1C 508662149 BRUPGGUFXLZBLN-UHFFFAOYSA-N 432.484 4.388 5 20 IIBD COc1ccc(C(=O)N2CCCC2)cc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 509993739 WNQQTWKXBZTDMR-UHFFFAOYSA-N 440.500 4.282 5 20 IIBD COc1ccc([C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c2ccc(F)cc2)cc1 512042897 ZVNBBLZLZQAWSY-NRFANRHFSA-N 430.457 4.119 5 20 IIBD COc1cc(C(=O)Nc2c(C)cc(C)nc2C)c([N+](=O)[O-])cc1OCc1cscn1 512668639 MTEFWVXHQJLHSX-UHFFFAOYSA-N 428.470 4.211 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1OC(F)F 513374248 WSCPWXJCZBDYMC-UHFFFAOYSA-N 437.218 4.068 5 20 IIBD COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)c([N+](=O)[O-])c1 514312756 QSMSCMZBBNFOOI-QGZVFWFLSA-N 433.464 4.248 5 20 IIBD O=C(NCc1ccccc1Cn1cccn1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 514346581 LDFQVZSFUKEGFJ-UHFFFAOYSA-N 441.491 4.382 5 20 IIBD C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccc(F)cc2)cc1 515520562 LAUCRQQFGZKZDV-CQSZACIVSA-N 443.456 4.026 5 20 IIBD CCc1ccc([C@@H](NC(=O)Cn2cc(Br)c([N+](=O)[O-])n2)c2cccs2)cc1 515605813 SJHZSXIMINYJCG-QGZVFWFLSA-N 449.330 4.084 5 20 IIBD CCn1cnnc1-c1ccccc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 520631613 PVGGDMUZGMKNIL-UHFFFAOYSA-N 435.362 4.067 5 20 IIBD Cc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1NC(=O)CN1CCCCC1 520745277 XHKYYXGLZDDDRH-UHFFFAOYSA-N 442.541 4.058 5 20 IIBD Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2F)nnn1-c1cccc([N+](=O)[O-])c1 521146973 DGMRPESHKPWDCD-UHFFFAOYSA-N 445.454 4.466 5 20 IIBD CCN(C)C(=O)[C@@H]1CSCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 522552669 AEYCKRMBWLTPIW-KRWDZBQOSA-N 449.916 4.034 5 20 IIBD CC(C)N1CCC(N(C)C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 523014100 ITWKPCIABUZEGH-KRWDZBQOSA-N 425.533 4.108 5 20 IIBD COc1ccc(-c2ccc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)nc2)cc1Cl 527209118 YLSVZEWORWIODU-UHFFFAOYSA-N 441.827 4.342 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C(F)(F)F 532482216 WHFZADJPOMWGNP-HXUWFJFHSA-N 432.402 4.360 5 20 IIBD COc1cc(CN[C@H](C)c2ccc([S@@](C)=O)cc2)c([N+](=O)[O-])cc1OCC(F)(F)F 534468164 UUNMBEVVBVSTLI-FCJAZMSBSA-N 446.447 4.133 5 20 IIBD Cc1nn(CCC(=O)NCc2ccc(-c3ccc4c(c3)C[C@H](C)O4)cc2)c(C)c1[N+](=O)[O-] 534578002 QDFVJKQIXPLKFU-HNNXBMFYSA-N 434.496 4.105 5 20 IIBD COc1cc(C(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)ccc1[N+](=O)[O-] 535799351 LYCNZPWOZKTCKE-UHFFFAOYSA-N 430.289 4.386 5 20 IIBD Cc1ccc([C@H](C)NCc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)cc1[N+](=O)[O-] 537178207 UUVPUMBDTWZQNW-AWEZNQCLSA-N 431.539 4.281 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC(Cc2cccnc2)CC1 540027592 CYZTYQIZWUSXES-UHFFFAOYSA-N 436.434 4.292 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 542946462 NZAMYVNDGBEIBH-IBGZPJMESA-N 437.418 4.324 5 20 IIBD Cc1sc2nc(SC[C@H](O)COc3ccccc3[N+](=O)[O-])n(C(C)C)c(=O)c2c1C 543118170 LHXBTKODIKWIIP-CQSZACIVSA-N 449.554 4.096 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cn(-c2ccc(Br)cc2)cn1 545959060 ATWMAPHTURYFBA-UHFFFAOYSA-N 431.246 4.194 5 20 IIBD COc1cc(C(C)=O)ccc1OCCCc1nc(Cc2ccc([N+](=O)[O-])c(C)c2)no1 546561864 SWEKERSXCDJOHV-UHFFFAOYSA-N 425.441 4.100 5 20 IIBD O=[N+]([O-])c1cc(F)cc(-c2nc(Cc3cccc(F)c3I)no2)c1 547194919 NFOHYJXPPPYJFV-UHFFFAOYSA-N 443.147 4.118 5 20 IIBD COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 547240304 LWQROQQDISNXBR-CQSZACIVSA-N 435.883 4.069 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCc2cc(Cl)cc(Br)c21 549270454 ZUNVUKSFXSEAID-UHFFFAOYSA-N 447.676 4.399 5 20 IIBD COc1cc(OC)cc(C2(F)CCN(C(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)CC2)c1 549313468 MBCZXSZCOQELCN-CQSZACIVSA-N 434.439 4.342 5 20 IIBD CC(=O)c1cc(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)ccc1[N+](=O)[O-] 552860361 RCCFHZRIWJJVLE-UHFFFAOYSA-N 428.798 4.191 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCc1cccc(COCC(F)(F)F)c1 553989972 PFAQZKQFDUWFBK-UHFFFAOYSA-N 425.407 4.058 5 20 IIBD O=C(NCc1ccc(OC2CCCC2)cc1)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 557180433 HQZXBOVZJSOMHN-UHFFFAOYSA-N 439.497 4.116 5 20 IIBD Cn1ccnc1[C@@H](N[C@H]1CCN(c2ccccc2C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 560547904 HXNKSNNHIUHNAO-JXFKEZNVSA-N 445.445 4.305 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(N2CC(CN3CC(C)(C)c4ccc(-c5cnn(C)c5)cc43)C2)n1 569710685 UPEOWTUIRSAQEU-UHFFFAOYSA-N 446.555 4.241 5 20 IIBD C[C@@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccc(Oc2cccnc2)cc1 578393577 GVVWOGZGKKHYBC-MRXNPFEDSA-N 429.436 4.459 5 20 IIBD CCOc1cc(CN2C[C@H]3CCC[C@@H](C3)C2)ccc1OCCn1c([N+](=O)[O-])cnc1C 578579299 RIVVJBLKLOZROL-OALUTQOASA-N 428.533 4.199 5 20 IIBD COC(=O)c1ccc(N2CCCC2)c(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 591544597 NFJAVDFSJGDQOD-CQSZACIVSA-N 429.498 4.101 5 20 IIBD C[C@H](Sc1nnc(COc2ccc(Cl)cc2)n1C)C(=O)Nc1cccc([N+](=O)[O-])c1 591888343 LAELSNWQWJFHRL-LBPRGKRZSA-N 447.904 4.075 5 20 IIBD Cc1nc(C)c(-c2nnc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)o2)s1 600864610 MLGLGMJBJRQXFK-QMMMGPOBSA-N 439.906 4.491 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1cc(Cl)cc2cccnc12 603458397 LESDLOKSDGRLPL-UHFFFAOYSA-N 426.816 4.123 5 20 IIBD CS(=O)(=O)c1ccc(N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 603580217 QOYWRUAWMXVGFW-MYJAWHEDSA-N 434.358 4.320 5 20 IIBD COc1cc(C(=O)NCc2ccccc2CN2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])cc1OC 603774509 WZDBUGGCEBVQBL-IAGOWNOFSA-N 441.528 4.020 5 20 IIBD COCCOc1ccc(C(F)(F)F)cc1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 604006571 WIPHTXLBGIOHDZ-UHFFFAOYSA-N 438.362 4.301 5 20 IIBD Cc1c(NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cccc1NC(=O)c1ccccc1 604010683 OEYNAWZAPWASMA-UHFFFAOYSA-N 430.464 4.157 5 20 IIBD Cc1cnn([C@H]2CCCc3ccccc32)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C 609321821 MLGOYYIRFDEXGD-IBGZPJMESA-N 426.498 4.135 5 20 IIBD CCOc1cc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)c([N+](=O)[O-])cc1OCC 609498002 GNEOALYIEHTSEI-UHFFFAOYSA-N 428.485 4.388 5 20 IIBD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)ccc21 610043521 NHFHUYWDNNFEBK-UHFFFAOYSA-N 436.512 4.334 5 20 IIBD COC(=O)c1cc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c(Br)cc1F 610182162 RICPCLIBEFOYSV-UHFFFAOYSA-N 439.237 4.199 5 20 IIBD O=C(O)CCN(CC1CC1)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 610844297 FVGXBWSHMQLTST-UHFFFAOYSA-N 431.876 4.187 5 20 IIBD CCC1(O)CCC(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1 611315815 ZOQKTACTRWWLRX-UHFFFAOYSA-N 443.466 4.030 5 20 IIBD COC[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1cccc(C(F)(F)F)c1 611396975 UXTFPDVCBOKASF-SFHVURJKSA-N 425.407 4.228 5 20 IIBD C[C@H](C(=O)N1CCN([C@@H](C)c2nc3ccccc3s2)CC1)c1ccc([N+](=O)[O-])cc1F 612444749 FFHJSMBGAFIODG-GJZGRUSLSA-N 442.516 4.353 5 20 IIBD C[C@H](C(=O)Nc1ccc(N2CCc3sccc3C2)nc1)c1ccc([N+](=O)[O-])cc1F 612449358 VMGIHENNWGPEJQ-ZDUSSCGKSA-N 426.473 4.495 5 20 IIBD Cn1cc(CN2CCOc3c(Br)cccc3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 619431620 HXGSWCWOLPANAX-UHFFFAOYSA-N 443.301 4.152 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N(Cc1ccccc1)C[C@H](O)C(F)(F)F 672945609 PEHKVPZOVBJKJT-NRFANRHFSA-N 440.421 4.247 5 20 IIBD CCN(C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)[C@H]1CCCC[C@@H]1C 727323410 XNFWRJLXLWTOPF-KKSFZXQISA-N 446.525 4.403 5 20 IIBD CCn1c(CNCc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])nc2ccccc21 727644092 FUXFLTXGHICLJG-UHFFFAOYSA-N 438.406 4.204 5 20 IIBD Cc1nc(-c2ccccc2)[nH]c1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 728725878 XPFMULKJQNJQFX-UHFFFAOYSA-N 448.357 4.108 5 20 IIBD CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)ccc21 729413548 PTAVBINDEQNMJL-UHFFFAOYSA-N 430.436 4.256 5 20 IIBD C/C(=C\C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Cl 730703660 ISBVACAQMBAFQT-MDJJKAFGSA-N 428.872 4.500 5 20 IIBD Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2cc(F)cc([N+](=O)[O-])c2)cs1 731528939 IYOHZELUIOXDNZ-UHFFFAOYSA-N 429.429 4.037 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1CN(C)C(=O)OC(C)(C)C 732526089 IXRWAECTFILTFO-UHFFFAOYSA-N 449.529 4.325 5 20 IIBD O=Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)c([N+](=O)[O-])c1 733789660 QEDOIVWABLYFBB-UHFFFAOYSA-N 432.738 4.019 5 20 IIBD CN1C(=O)CC[C@@H](C(=O)OCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(C(F)(F)F)cc1 734389837 NFLXQLHRZKFPIL-MJGOQNOKSA-N 436.386 4.267 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1cccc(C[S@](=O)c2ccccc2)c1 734404622 JBQDTTCBNNRCPU-PMERELPUSA-N 428.441 4.059 5 20 IIBD CC(=O)Nc1ccc2c(COc3ccc([N+](=O)[O-])cc3Br)cc(=O)oc2c1 737399287 IPSAXARXMXUELC-UHFFFAOYSA-N 433.214 4.001 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)Cc2ccccc2C(F)(F)F)c(Br)c1 738403858 QYWHUAALLZRYPT-UHFFFAOYSA-N 440.193 4.285 5 20 IIBD O=C(NC[C@@H](O)c1ccsc1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 740126539 CHWQNCCJKKRBHI-LJQANCHMSA-N 431.901 4.385 5 20 IIBD NC(=O)c1ccc(NCCOC(=O)c2cc(-c3ccccc3)ccc2Cl)c([N+](=O)[O-])c1 744148796 MFUKSVYSHWJHLP-UHFFFAOYSA-N 439.855 4.283 5 20 IIBD COC(=O)c1cc2cc(COC(=O)c3cc([N+](=O)[O-])ccc3Br)ccc2o1 744915430 MBVALTAJBCMWPV-UHFFFAOYSA-N 434.198 4.247 5 20 IIBD O=C(Nc1cccc(CN2CCSCC2)c1)c1ccc(Br)c([N+](=O)[O-])c1 747137096 DDSKYRYBMDIQTI-UHFFFAOYSA-N 436.331 4.158 5 20 IIBD CCCCO[C@H]1C[C@@H](OC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C1(C)C 749064027 DQEAXHHQGISLIT-DLBZAZTESA-N 434.518 4.015 5 20 IIBD COc1ccccc1C1(C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 749114724 UOTLXQKHAJMGQK-UHFFFAOYSA-N 432.432 4.493 5 20 IIBD O=C(NCc1ccc2c(c1)OCCCO2)c1cc(Br)cc([N+](=O)[O-])c1Cl 749429606 JDUZTWNDAHFAAG-UHFFFAOYSA-N 441.665 4.102 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Oc2ccc(N(C)C(=O)C(C)(C)C)cc2)cc1OC 750693847 HFGXLHSOJJFAGS-UHFFFAOYSA-N 430.457 4.230 5 20 IIBD C[C@@H]1CN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Br)cc2)C[C@@H](C)O1 751117063 NVMWIIXUJGITPV-CHWSQXEVSA-N 434.290 4.223 5 20 IIBD Cc1c(Br)cc(C(=O)NC[C@H](O)c2ccccc2C(F)(F)F)cc1[N+](=O)[O-] 753658537 QZZKTJLIXXFLMX-HNNXBMFYSA-N 447.207 4.148 5 20 IIBD C[C@H](OC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 756750237 MJGQAPLJQKKOBT-VFZGTOFNSA-N 438.223 4.289 5 20 IIBD CCn1cc(-c2ccc(OC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])cc2)nn1 759741467 VBJUNULYNNDKPV-UHFFFAOYSA-N 436.346 4.034 5 20 IIBD Cc1cc(C(=O)O[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)ccc1NC(=O)CC(C)C 759926214 AOXWHZDALQEQSC-RTBURBONSA-N 428.489 4.425 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCc2ccsc2C1 760285758 SJFYKUPJRGSQRX-UHFFFAOYSA-N 445.522 4.028 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)NC1CCC(O)(c2ccccc2)CC1 760944462 OOFZNQJTYSLNIX-UHFFFAOYSA-N 434.290 4.309 5 20 IIBD O=[N+]([O-])c1ccccc1C1=NO[C@@H](c2nc(-c3ccc(OC4CCOCC4)cc3)no2)C1 762078814 KODRXGIHKXHTAN-HXUWFJFHSA-N 436.424 4.068 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 765350515 YSPQMLOOGSFUMU-UHFFFAOYSA-N 439.390 4.138 5 20 IIBD COc1cc(CN2CCO[C@H](c3ccccc3Br)C2)c([N+](=O)[O-])cc1F 766756745 LAIZJLWRQLFOAK-SFHVURJKSA-N 425.254 4.079 5 20 IIBD Cc1cccc(-c2cncc(C(=O)OC[C@@H]3CCCN3C(=O)c3ccccc3[N+](=O)[O-])c2)c1 768776899 IVHPEMONUWJPHR-NRFANRHFSA-N 445.475 4.427 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCCCO2)c(F)c1 777885584 XDTSBHDNRRFZAC-AWEZNQCLSA-N 445.852 4.103 5 20 IIBD Cc1ccc(C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)c2ccccn2)cc1 778000340 NOIUCSXRRSNWFH-LJQANCHMSA-N 429.473 4.008 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cc1 778681784 CIBNXANPMNUKFQ-LBPRGKRZSA-N 429.429 4.162 5 20 IIBD C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 780947784 KFDCPTWFYHDLHN-NVXWUHKLSA-N 435.524 4.199 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])c2nsnc2c1)c1nnc(-c2cccc(Cl)c2)o1 784724298 RAYQLDQPVANOSX-QMMMGPOBSA-N 431.817 4.221 5 20 IIBD CCOc1cc(NC(=O)NC[C@H](O)c2cc(F)cc(Cl)c2)c([N+](=O)[O-])cc1OCC 785670448 ZXOLCQFJGLJRRE-INIZCTEOSA-N 441.843 4.040 5 20 IIBD O=C(COC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])Nc1cc(F)ccc1F 787245610 HGEODRYBLLOGFM-UHFFFAOYSA-N 442.374 4.248 5 20 IIBD Cc1cc(Cl)ccc1NC(=O)[C@H](C)OC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790743312 LYDJOWSPVFGXOQ-JTQLQIEISA-N 429.231 4.462 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCc1ncc(Br)s1 792472484 KSHQRMXPGVFXOP-UHFFFAOYSA-N 436.081 4.242 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2csc(-c3ccccc3)n2)cc1Br 795389914 ZSXYAIUXKUJXMN-UHFFFAOYSA-N 440.300 4.282 5 20 IIBD C[C@H](c1ccccc1)N(C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 796125311 YFECSUVQBVCJEK-GFCCVEGCSA-N 425.304 4.272 5 20 IIBD C[C@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(Br)cn1 797637615 CGBCHWILTATINE-QMMMGPOBSA-N 444.083 4.398 5 20 IIBD Cc1ccc(-c2noc([C@@]3(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C3)n2)cc1[N+](=O)[O-] 809300310 DZLAIRCEHBZWCW-GOSISDBHSA-N 442.394 4.394 5 20 IIBD O=C(NC[C@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1)C(F)(F)F 811514882 RKDIFJZQFMSCDH-CYBMUJFWSA-N 427.448 4.214 5 20 IIBD C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(N2CCCOC2=O)cc1 814311837 LAIZEKFGWKIEMM-CYBMUJFWSA-N 432.864 4.155 5 20 IIBD CC(C)(C(=O)N1CCC(O)(c2ccccc2C(F)(F)F)CC1)c1ccccc1[N+](=O)[O-] 816494435 LJPXCAKTKRGBEQ-UHFFFAOYSA-N 436.430 4.401 5 20 IIBD C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1cc(F)c([N+](=O)[O-])cc1F 816819457 FJSIVFHZJDPCFW-DYZYQPBXSA-N 430.329 4.494 5 20 IIBD C[C@@H](OC(=O)c1cc(Cl)ccc1N)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 848938791 SDHNAFNNXZCLKM-MRVPVSSYSA-N 431.754 4.033 5 20 IIBD COC(=O)c1sc2cccc(F)c2c1COC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 864027808 FWPITOAUVQKFBE-UHFFFAOYSA-N 449.412 4.109 5 20 IIBD C/C=C/C=C\C(=O)O[C@H](c1ccccc1)[C@@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 879392481 VRRSMFGGEXCIKK-WTOGHHDXSA-N 444.509 4.021 5 20 IIBD O=C(COC(=O)c1cnn(-c2ccccc2)c1C1CC1)Nc1cc([N+](=O)[O-])ccc1Cl 913336517 FYABSSPANOJFIN-UHFFFAOYSA-N 440.843 4.107 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)OCC(=O)N[C@H](C)c2ccc3ccccc3c2)c1 915439940 KQNOMAJOZQUDHY-QGZVFWFLSA-N 436.464 4.246 5 20 IIBD CNC(=O)c1ccc(Cl)cc1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 918649982 LIDUYLVLHFOCKP-UHFFFAOYSA-N 444.797 4.067 5 20 IIBD CC(C)Oc1ncc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1Cl 919550703 DIHKCEJQYJBHIS-SNVBAGLBSA-N 442.255 4.268 5 20 IIBD Cc1c(C(=O)N[C@@H](C)COc2ccccc2C(F)(F)F)cc([N+](=O)[O-])cc1[N+](=O)[O-] 919830980 ZBIZXNMKSYBNOU-JTQLQIEISA-N 427.335 4.028 5 20 IIBD Cc1cc(C(=O)COC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c(C)n1C 920548194 QNCZHYZLCBOBGL-HNNXBMFYSA-N 436.468 4.158 5 20 IIBD O=C(NCCC(=O)Oc1cc(Cl)ccc1[N+](=O)[O-])Nc1ccc(Br)cc1 921132552 BLMTVJYIOQXTFQ-UHFFFAOYSA-N 442.653 4.128 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1cc(N2CCOC2=O)ccc1F 1116833972 ZKIILOIGWRYLKO-UHFFFAOYSA-N 442.325 4.031 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)c1cc(C)n(Cc2ccco2)c1C 1317690997 KDULQWFFZXGUKR-OAHLLOKOSA-N 425.441 4.124 5 20 IIBD COc1cc(COC(=O)c2csc(-c3ccco3)n2)c([N+](=O)[O-])cc1OC(F)F 1317768210 XDOLWBLFLBTAQR-UHFFFAOYSA-N 426.353 4.278 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC([C@H]2C(=O)Nc3ccccc32)CC1 1322782249 XAASWYFVWFBDEJ-ZUOKHONESA-N 442.903 4.023 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(COc2cccc(C)c2)o1 1341292388 UGVAPJPCUDZPTJ-GOSISDBHSA-N 442.497 4.089 5 20 IIBD COc1ccccc1C1(NCc2cc(I)cc([N+](=O)[O-])c2)CCC1 1343484068 QXDSBKHICUFSJQ-UHFFFAOYSA-N 438.265 4.377 5 20 IIBD CC(C)(F)C(=O)Nc1ccc(C2(NC(=O)CCc3cccc([N+](=O)[O-])c3)CCC2)cc1 1787940292 HBMYEPYMVUZJRE-UHFFFAOYSA-N 427.476 4.410 5 20 IIBD COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)C45CC(C4)C5)CCC3)cc2)c([N+](=O)[O-])c1 1790573880 NTPPUVXYXAJRAX-UHFFFAOYSA-N 449.507 4.080 5 20 IIBD COc1cc(C(=O)Nc2ccc(C3(NC(=O)C(C)(F)F)CCC3)cc2)ccc1[N+](=O)[O-] 1792164013 PVUBJBCRWGMTGW-UHFFFAOYSA-N 433.411 4.006 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1F 1797298316 UNRBDWODLFYYHE-BCDXTJNWSA-N 447.466 4.453 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(F)c1[N+](=O)[O-])c1cc(F)cc(Cl)c1 1800530178 AODKMOKKTDLMIX-MUJYYYPQSA-N 449.841 4.092 5 20 IIBD Cc1cc(C)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc([N+](=O)[O-])o3)n[nH]2)c1 1814311755 OBYPUHRKRRJOLF-QGZVFWFLSA-N 437.456 4.147 5 20 IIBD CC(C)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)[nH]n1 1821927162 FBVWVKFEKGELOT-JEJOPICUSA-N 429.477 4.053 5 20 IIBD CCCCC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1 1822001362 RCJBPMFLCLARKQ-GDBMZVCRSA-N 431.493 4.433 5 20 IIBD CC(C)=CCCC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3F)sc2C1 1823237694 GANGEXZVAMMGFE-ZDUSSCGKSA-N 446.504 4.163 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC([C@H]2CCCCN2C(=O)C2=CCCC2)CC1 1826279065 CAADZDXIWFEFPC-CHHLAKQQSA-N 437.540 4.338 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/C(C)C)CC1 1830792548 STLAMNZLMZTIEY-DUIUGDAFSA-N 443.544 4.054 5 20 IIBD COc1ccccc1N(C(C)=O)c1nc(COC(=O)Cc2ccccc2[N+](=O)[O-])cs1 11466852 BONGWLCAVKIZFZ-UHFFFAOYSA-N 441.465 4.030 5 20 IIBD Cc1c(NC(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@H]3C)cc2)cccc1[N+](=O)[O-] 15790833 HCPHYGOKGURGFF-HZPDHXFCSA-N 425.485 4.324 5 20 IIBD COc1ccc(C(NC(=O)COc2cc(F)ccc2[N+](=O)[O-])c2ccc(OC)cc2)cc1 17534154 PAAOFUSZSAOSQD-UHFFFAOYSA-N 440.427 4.036 5 20 IIBD Cc1cccc(C=C(C(=O)Nc2ccccc2[N+](=O)[O-])C(=O)Nc2ccccc2[N+](=O)[O-])c1 20859756 KXPFRRJSYPZOHR-UHFFFAOYSA-N 446.419 4.472 5 20 IIBD Cc1ccc(CCC2CCN(C(=O)c3nnn(-c4cccc([N+](=O)[O-])c4)c3C)CC2)cc1 24497340 KKXCJOWUTCFTAX-UHFFFAOYSA-N 433.512 4.277 5 20 IIBD CCOC(=O)c1cc(C(=O)O[C@@H](C)c2nnc(-c3cccc(C)c3)o2)cc([N+](=O)[O-])c1 26559071 QXNHEDJKSGPCJI-ZDUSSCGKSA-N 425.397 4.048 5 20 IIBD CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 27027050 UNOVDCGEKCNCOC-UHFFFAOYSA-N 449.511 4.191 5 20 IIBD COc1ccc(-c2nnc(SCc3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCO2)cc1 28367950 OXLCLTWMQTZENF-IBGZPJMESA-N 426.498 4.333 5 20 IIBD C[C@@H]1Oc2ccc(NC(=O)CSc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2NC1=O 29993843 RCMSELHXKMWUBG-VIFPVBQESA-N 441.387 4.064 5 20 IIBD CN(C(=O)CSc1ccccc1C(=O)NCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 59786539 AREKTAQAKYJMMU-UHFFFAOYSA-N 441.553 4.408 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 61792258 NGZQKMQCAXNLPU-FQEVSTJZSA-N 442.475 4.271 5 20 IIBD CN1CCN(c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c(C(F)(F)F)c2)CC1 71925070 GRKUXAXSTZSEJT-RUDMXATFSA-N 434.418 4.017 5 20 IIBD CCOc1cc(Br)c(CC(=O)OCc2ccccc2[N+](=O)[O-])cc1OCC 104949611 INCBACXULMNUNC-UHFFFAOYSA-N 438.274 4.441 5 20 IIBD O=C(NCc1cccc(COCc2ccco2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 106175789 VSBLHXDMFCRMEI-UHFFFAOYSA-N 435.480 4.435 5 20 IIBD Cc1cc(=O)c(C(=O)Nc2ccc(NC3CCCCC3)cc2)nn1-c1ccccc1[N+](=O)[O-] 109888443 PDXSOEKQUMPEHX-UHFFFAOYSA-N 447.495 4.446 5 20 IIBD CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 116243239 VAAXTOXYERXEKH-MJGOQNOKSA-N 438.528 4.495 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1OC(C)C 217231986 WTARBFKAHDLDIN-HXUWFJFHSA-N 427.501 4.302 5 20 IIBD COc1ccc(CN(C)C(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c(OC)c1 255939541 BUBMLSLPQRRCRM-CALCHBBNSA-N 441.528 4.367 5 20 IIBD CCc1cc(NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 301107562 JUTSQFKZROUADL-NRFANRHFSA-N 447.495 4.344 5 20 IIBD C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] 301270210 NKVGDJKISSUKQT-SECBINFHSA-N 437.827 4.112 5 20 IIBD Cc1ccc(-c2nc(CNc3cnn(-c4ccc([N+](=O)[O-])cc4)c(=O)c3Cl)co2)cc1 301443995 XDBXVLBGAXRYQI-UHFFFAOYSA-N 437.843 4.370 5 20 IIBD C[C@H]1C[C@H](c2cccnc2)N(c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])C1 302154968 VTPSRXHRBLZTII-LAUBAEHRSA-N 444.557 4.142 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCN(Cc2cccc(O)c2)CC1 303106372 JPAIXCCLFLBMNJ-UHFFFAOYSA-N 433.464 4.051 5 20 IIBD COc1ccc(C(C)(C)CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1OC 303240830 BIETXQVEYASJDB-UHFFFAOYSA-N 441.509 4.443 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N[C@@H](c1ccccc1)c1ccc(F)cc1 303297857 CBPMHKRPRYOAQT-NRFANRHFSA-N 441.846 4.023 5 20 IIBD COc1ccc(C(C)(C)CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1OC 426358362 GOPPHORLKXHNLI-UHFFFAOYSA-N 427.501 4.264 5 20 IIBD CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)C1 427346405 VLGGPTVKIIJHEL-GDGOIWHQSA-N 446.525 4.205 5 20 IIBD O=C(O)[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1c1ccc(Cl)cc1 427793906 PYDNNIYXHNSDFA-LSDHHAIUSA-N 442.777 4.207 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](NCC[C@@]1(O)C[C@H]2CC[C@H]1C2)c1ccccc1 427819150 QEYLEPDLUMLVAD-HDVXSNRVSA-N 443.931 4.459 5 20 IIBD CC[C@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1ccccc1OC(F)F 427917672 ZHJVKRZCKXXLIF-HNNXBMFYSA-N 431.395 4.391 5 20 IIBD CCOc1ccc(CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1OCC 429920697 GQIIWPZSNSWWMS-UHFFFAOYSA-N 437.290 4.127 5 20 IIBD COc1cc(C(=O)N[C@@H]2CCC[C@H]2OCc2ccccc2)c([N+](=O)[O-])cc1OC(F)F 430864411 SXUANZYSRRLOOU-NVXWUHKLSA-N 436.411 4.073 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)cc1C 443734464 RBHDGFIECIXCTQ-AWEZNQCLSA-N 433.461 4.060 5 20 IIBD C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 444107441 VPWWRRSUEYLAAD-WZONZLPQSA-N 425.532 4.322 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 444929069 ZRDWVVUQMCVXOZ-JTQLQIEISA-N 430.408 4.490 5 20 IIBD CCc1ccc(NC(=O)Cc2noc(-c3cc(Br)cc([N+](=O)[O-])c3)n2)cc1 445315392 IQMNVCSCTIZEGY-UHFFFAOYSA-N 431.246 4.151 5 20 IIBD Cc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 447025106 BGISRTZIVVFTCL-INIZCTEOSA-N 425.304 4.192 5 20 IIBD COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3O)C2)n1 447155711 YGLJSXJXLNNUAE-CQSZACIVSA-N 439.493 4.452 5 20 IIBD CC1(C)CN(C(=O)c2cc(C(=O)N3CC(C)(C)[C@@H]3C3CC3)cc([N+](=O)[O-])c2)[C@H]1C1CC1 460976867 KNIWEGQEYQJSGL-PMACEKPBSA-N 425.529 4.116 5 20 IIBD COc1ccc(CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])c(OC)n1 461468985 HEHRIYURSCPYSV-UHFFFAOYSA-N 425.466 4.088 5 20 IIBD COC1CCC(N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2Cc2cccs2)CC1 461497886 QPINFWDXSAPTMY-UHFFFAOYSA-N 427.530 4.357 5 20 IIBD C[C@H](CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc(F)c(Br)c1 462325423 GYRUTYMATRJHJL-GFCCVEGCSA-N 439.285 4.050 5 20 IIBD COCCN(CCCc1ccccc1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 462520318 GYHRSAQZDKBKOH-UHFFFAOYSA-N 447.340 4.172 5 20 IIBD O=C(NC1CC1)[C@H]1CCCN1C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 464566924 NZQLRFCKCWTRBO-QGZVFWFLSA-N 445.928 4.283 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 464728769 OOPQSIPJPZQZAP-UHFFFAOYSA-N 426.301 4.259 5 20 IIBD CC(=O)N1CC[C@H](CN(C)C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C1 466539702 IFVXSJJGKLIILZ-OAHLLOKOSA-N 447.944 4.340 5 20 IIBD Cc1ccc(CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c(OC[C@@H]2CCCO2)c1 466632928 KMCYZCLNNSHHDP-LPHOPBHVSA-N 430.526 4.258 5 20 IIBD Cc1c(CN(C)Cc2cccc(Br)c2OCC(C)(C)O)cccc1[N+](=O)[O-] 467279194 NHEABXJPIRGMIR-UHFFFAOYSA-N 437.334 4.447 5 20 IIBD O=C(c1ccc(F)cc1)C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 468775336 BCBSSXFBQPYPCK-UHFFFAOYSA-N 449.276 4.160 5 20 IIBD O=C(CN(Cc1ccccc1)CC(F)F)Nc1ccc([N+](=O)[O-])cc1Br 471021526 YAVPPFSBOYFXOG-UHFFFAOYSA-N 428.233 4.063 5 20 IIBD COc1cc(C(=O)Nc2ncccc2OCc2cccc(Cl)c2)c([N+](=O)[O-])cc1OC 471557018 BCNJGDDTIZHVTE-UHFFFAOYSA-N 443.843 4.492 5 20 IIBD COc1ccc(CN(C)C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1O 473915942 XQLPIGGNUJEMBK-OAHLLOKOSA-N 436.468 4.149 5 20 IIBD COC(=O)C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(F)cc1 475222630 CEHPBPZUPUSPFK-CQSZACIVSA-N 429.326 4.179 5 20 IIBD Cn1cnc([N+](=O)[O-])c1CN1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 475755056 WVQKTZKSNWJZNR-UHFFFAOYSA-N 431.949 4.028 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N(CCO)CC(F)F 477407645 RQWDDGMKCICMHU-RVDMUPIBSA-N 447.463 4.221 5 20 IIBD Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 477439914 BPQDOKCYARKWOS-ZDUSSCGKSA-N 445.451 4.027 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@](C)(CC(C)C)c1cccc(Br)c1 477991056 LCCNKARNOOYJCG-IBGZPJMESA-N 437.338 4.330 5 20 IIBD O=C(Nc1nnc(-c2cccc(Cl)c2)s1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 481549821 YZAXZPKQHRBYLR-UHFFFAOYSA-N 444.904 4.121 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C(C)C)N2CCc3ccccc3C2)cc1SC 482540359 BQQWLVGULIRESK-HXUWFJFHSA-N 443.569 4.138 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N(Cc2cccc(F)c2)C(C)(C)C)cc1OC 484291599 GKHZBMNIHTWWJO-UHFFFAOYSA-N 434.464 4.209 5 20 IIBD COc1ccc(-c2noc([C@H](C)S(=O)(=O)[C@H](C)c3cc([N+](=O)[O-])ccc3C)n2)cc1 485245332 MLNNYXAZDSHFFY-KGLIPLIRSA-N 431.470 4.199 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 485365368 VYJSDOBVZKTVAJ-GOSISDBHSA-N 444.488 4.472 5 20 IIBD Cn1cc(C(=O)N2CCC(c3c(F)cccc3F)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 485598279 FXAJFXLDCXUSLC-UHFFFAOYSA-N 426.423 4.293 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 486104317 UHBBZELKJGRNQM-KRWDZBQOSA-N 440.481 4.438 5 20 IIBD O=C(NCc1ccc(F)cc1)C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 486237300 OIRGLVINQCTQQZ-UHFFFAOYSA-N 441.484 4.117 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1[N+](=O)[O-] 488102778 HXSDTFPEVZXDIM-QGZVFWFLSA-N 442.475 4.152 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(COC2CCOCC2)cc1 489002176 QHYYPBDCELARRB-UHFFFAOYSA-N 430.526 4.332 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)cc1[N+](=O)[O-] 493239928 TYRZCMSFERUNFQ-CYBMUJFWSA-N 438.315 4.198 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)cc1OC 493260072 OGODKMKYDPJPQH-LBPRGKRZSA-N 442.390 4.138 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 501229169 ADVPWKMMMGHMSM-WMLDXEAASA-N 435.933 4.001 5 20 IIBD O=C(CCS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)Nc1ccccc1[N+](=O)[O-] 507707240 DIDBXYWUHQAGAA-UHFFFAOYSA-N 436.795 4.070 5 20 IIBD COc1cc(C(=O)N2C[C@@H](C)N(C)C[C@H]2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 509622305 YYIFKVYHKRYQOM-ZIAGYGMSSA-N 433.892 4.214 5 20 IIBD COCCOc1ccc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1F 510050283 OKRUVWRMWQOTHD-HZPDHXFCSA-N 445.491 4.494 5 20 IIBD COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 516132606 WAQYXWMVJMGJPO-UHFFFAOYSA-N 442.475 4.445 5 20 IIBD Cc1cccc(NC(=O)Nc2cccc(CNC(=O)COc3ccc([N+](=O)[O-])cc3)c2)c1 516402405 XFISTRWTHLOBCJ-UHFFFAOYSA-N 434.452 4.242 5 20 IIBD O=C(NCc1cccc(CO)c1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 519161270 CYXADMAAZIQNIE-UHFFFAOYSA-N 425.872 4.283 5 20 IIBD CC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c(C)c1 519994806 UYRUISDJTQBPPA-LBPRGKRZSA-N 439.921 4.194 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCc3nc(C(C)(C)C)cs3)cc2)c(C)c1[N+](=O)[O-] 520529893 PCLOTRIDHPRXIG-UHFFFAOYSA-N 427.530 4.140 5 20 IIBD O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 520776926 DHLFYTWSFLQBJN-OAQYLSRUSA-N 439.903 4.001 5 20 IIBD O=C(c1cccc(C(F)(F)F)c1)N1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 522536628 YDAKDBPZGHOYQF-UHFFFAOYSA-N 427.810 4.225 5 20 IIBD O=C(NCCc1cnccn1)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 525921501 YBSVKRAYEYDPMI-UHFFFAOYSA-N 445.838 4.012 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1C(=O)N(C)C 530718740 OJDOHLSFWSLLHK-UHFFFAOYSA-N 432.480 4.469 5 20 IIBD Cn1cc(C[C@H]2CCN(C(=O)c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)C2)cn1 530832695 AWKUPHTXVYVXQW-OAHLLOKOSA-N 440.887 4.479 5 20 IIBD O=[N+]([O-])c1cc(CNC2CCN([C@@H]3CCCC[C@@H]3O)CC2)ccc1Oc1ccc(F)cc1 531759128 GBLGWUHWADWQBO-GGAORHGYSA-N 443.519 4.384 5 20 IIBD COc1cc(C(=O)N[C@@H](C)c2nnc(C)o2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 532356377 RFWMHQIDSMEYNY-JTQLQIEISA-N 432.820 4.232 5 20 IIBD O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3nc(O)c4cc(-c5ccccc5)sc4n3)C2)nc1 532706933 GLMHWSHBHNPAGW-HNNXBMFYSA-N 448.508 4.054 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)N(Cc1cc(Br)ccc1F)C1CC1 534722172 PHPCITZSUGLHOP-UHFFFAOYSA-N 436.281 4.413 5 20 IIBD COc1ccc(CC(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1[N+](=O)[O-] 534731740 UBQKDGIUGSQAJD-UHFFFAOYSA-N 431.901 4.282 5 20 IIBD CCOC(=O)c1sc2nc(CN(C)C)nc(Oc3cccc(C)c3[N+](=O)[O-])c2c1C 535121198 ZRDAMVHVWQNJGT-UHFFFAOYSA-N 430.486 4.247 5 20 IIBD O=C(Nc1ccc2c(c1)CCO2)[C@H]1CCCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 536349404 WCZWGIMQTHQABB-OAQYLSRUSA-N 448.479 4.178 5 20 IIBD CC(C)[C@H]1C[C@@H](NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CCO1 537931655 CAIUAYBODDYKFV-MEDUHNTESA-N 427.288 4.021 5 20 IIBD COc1cc(-c2noc(CN[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)n2)ccc1OC(F)F 538277354 QMDUFJNDHWIGCP-LBPRGKRZSA-N 434.399 4.414 5 20 IIBD O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccc(OC(F)F)c(Br)c3)C2)nc1 538283402 VAMPLVITABYRQD-GFCCVEGCSA-N 443.248 4.040 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNCCS(=O)(=O)c3ccc(F)cc3)o2)c(Cl)c1 539525383 OKRXSJKXVVIUSR-UHFFFAOYSA-N 438.864 4.211 5 20 IIBD C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCCOc1ncc(C(F)(F)F)cc1Cl 540189034 IPNMRISFXUDGBR-NSHDSACASA-N 446.813 4.048 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCC[C@@H]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] 541343262 BOEQKBQAKFRDBR-JKSUJKDBSA-N 442.537 4.483 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@@H]1c1cccc(Br)c1 542303567 MXFRXMWAUQRMJQ-QGZVFWFLSA-N 434.290 4.413 5 20 IIBD COCC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 543858387 PANQZQHUUWPTAJ-AWEZNQCLSA-N 437.290 4.200 5 20 IIBD C[C@@H](C(=O)Nc1ccnn1Cc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1F 544422816 CURACFNQQLINNU-GFCCVEGCSA-N 447.264 4.483 5 20 IIBD Cc1ccc(-c2noc([C@@H]3CC(=O)N(CCOc4ccccc4Cl)C3)n2)cc1[N+](=O)[O-] 544956131 ZNUQZEPQFXPIBF-OAHLLOKOSA-N 442.859 4.002 5 20 IIBD CCOc1cc(Br)c(Cc2noc(-c3cc([N+](=O)[O-])c[nH]3)n2)cc1OCC 545537367 DGVUEKULEKCRSS-UHFFFAOYSA-N 437.250 4.124 5 20 IIBD O=c1c2ccsc2ncn1Cc1nc(-c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)no1 546472460 JPYUGYWJDSQZKY-UHFFFAOYSA-N 447.432 4.257 5 20 IIBD Cn1nc(-c2ccccc2)nc1Cc1noc(-c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 546553866 MZQPHCAOXOEIKK-UHFFFAOYSA-N 430.346 4.050 5 20 IIBD Cc1cc(Br)ccc1C(=O)N1CCC(NCCc2cccc([N+](=O)[O-])c2)CC1 546871764 RFCZOQBXRWLPBY-UHFFFAOYSA-N 446.345 4.103 5 20 IIBD O=[N+]([O-])c1cc(CN2CCN(c3ncc(F)cn3)CC2)ccc1Oc1ccccc1Cl 546971957 HFGHGGNDNHSNGC-UHFFFAOYSA-N 443.866 4.292 5 20 IIBD O=[N+]([O-])c1ccc2[nH]nc(-c3nc(Cc4ccc(OCc5ccccn5)cc4)no3)c2c1 546989339 SHZKMQCNILDXQA-UHFFFAOYSA-N 428.408 4.086 5 20 IIBD O=C(Nc1ccc(Cl)c(F)c1N1CCOCC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 549058299 PWKIVXDSPQBOOK-UHFFFAOYSA-N 448.882 4.420 5 20 IIBD O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCC[C@H]1c1ccccc1 551720413 ADVBIRZPBUEYOT-ZWKOTPCHSA-N 446.301 4.138 5 20 IIBD O=C(NCCc1nc(-c2ccccn2)cs1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 554296987 XWZHBYNZSQMDTP-UHFFFAOYSA-N 437.506 4.209 5 20 IIBD CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](c2ccccc2F)C1 559084951 DANJAYXPFKPWMI-HXUWFJFHSA-N 425.464 4.226 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(-n2nccc2C(F)(F)F)cc1 559686276 RFLUXNJTNOMVNU-UHFFFAOYSA-N 429.358 4.462 5 20 IIBD C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1cc(F)c(F)cc1Br 560580837 OQRZJQLPLXDGLI-JTQLQIEISA-N 428.233 4.142 5 20 IIBD CCCOc1cc(NC(=O)N(C)C2C[C@@H]3CC[C@H](C2)N3C)c([N+](=O)[O-])cc1OCCC 562036854 OVXYPHUVXHEHNJ-SJPCQFCGSA-N 434.537 4.261 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 562214013 BZMXLACKBJUBME-FZKQIMNGSA-N 439.390 4.412 5 20 IIBD CC1(C)C[C@H](NCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)c2cc([N+](=O)[O-])ccc21 564133689 WCXADVPDBFTHBD-NRFANRHFSA-N 448.523 4.476 5 20 IIBD CC(C)CN(C(=O)c1ccnc2c1ncn2C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 565442595 BCPWKSSERAJACN-UHFFFAOYSA-N 436.497 4.303 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@@H](Oc2ccc(Cl)cc2)C1 568313132 ZAZKULGAZYNSJU-LJQANCHMSA-N 432.907 4.488 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 578043915 WVNSIHHTNWJNGW-OAHLLOKOSA-N 433.338 4.380 5 20 IIBD O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC(c2ccc(Br)cc2)CC1 581619326 LWQPUFDKTJHLKK-UHFFFAOYSA-N 433.258 4.106 5 20 IIBD C[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)cc1F 582031663 UFBCEXCXWQFFNY-VIFPVBQESA-N 430.661 4.439 5 20 IIBD O=C(N[C@@H](c1ccccc1F)C1CCCC1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 583432878 DYPKIUYJBHGIIS-JOCHJYFZSA-N 439.487 4.273 5 20 IIBD Cc1csc(C2(NC(=O)C(=O)Nc3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CCCC2)n1 584440588 AMMRRFRAZCEMOJ-UHFFFAOYSA-N 430.530 4.181 5 20 IIBD Cc1cccc(NC(=O)Nc2cccc(CNS(=O)(=O)c3cccc([N+](=O)[O-])c3)c2)c1 604041470 AHNMWYPTUFUXMG-UHFFFAOYSA-N 440.481 4.026 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1OC 604257188 AGSGNWRFKVRBLJ-NXEZZACHSA-N 444.328 4.205 5 20 IIBD O=C(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 608869859 UINDVHQNJBMLFA-JOCHJYFZSA-N 447.882 4.413 5 20 IIBD C[C@@H](c1ccncc1)N(C)C(=O)c1ccc(C(=O)N(C)[C@@H](C)c2ccncc2)c([N+](=O)[O-])c1 609044950 WRMMIMRWVZKESZ-IRXDYDNUSA-N 447.495 4.051 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1nnc(Cc2cccc(F)c2)s1 609723817 DBJYXCXOOIXUAZ-UHFFFAOYSA-N 436.852 4.237 5 20 IIBD Cn1c(SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)nnc1-c1ccccc1Cl 609749932 KEJBUXZHMRZZTP-UHFFFAOYSA-N 445.888 4.134 5 20 IIBD CN(C)Cc1ccccc1CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 609873476 YEHKMVXPHMVSGL-UHFFFAOYSA-N 448.310 4.079 5 20 IIBD COC(=O)c1cc(NC(=O)CCSc2ncnc3sc(C)c(C)c23)cc([N+](=O)[O-])c1 609884765 DNJYCUMTZFDXPN-UHFFFAOYSA-N 446.510 4.124 5 20 IIBD CCOC(=O)c1csc(N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(OC)cc2)n1 610110462 NVUBPHXOCMNEAC-UHFFFAOYSA-N 427.438 4.215 5 20 IIBD CCCN(Cc1ccccc1Br)C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 610171615 XPFQNJFMFKPVJD-UHFFFAOYSA-N 437.290 4.427 5 20 IIBD O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CC(c2nc3ccccc3[nH]2)C1 610766039 YPCQLZFZXCYPHA-UHFFFAOYSA-N 427.464 4.323 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCc2ccccc2[C@@H]1Cc1ccccc1 611141965 WGTFUFZRKSQUKL-UUOWRZLLSA-N 443.503 4.082 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@H]2COc3cc(F)cc(F)c32)cc1[N+](=O)[O-])c1ccccn1 612222517 AYWYKCLWBGWICD-SGTLLEGYSA-N 440.406 4.305 5 20 IIBD COc1ccc(CNCc2nn(C)c3ccccc23)cc1OCc1ccc([N+](=O)[O-])cc1 612692030 HGUZYWAAPZSSEG-UHFFFAOYSA-N 432.480 4.359 5 20 IIBD CC(C)CNC(=O)c1cccc(COC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 727515328 HVGQPAJSCJIIGS-UHFFFAOYSA-N 439.493 4.461 5 20 IIBD CN(Cc1cccc(Cl)c1)C(=O)c1ccc(I)c([N+](=O)[O-])c1 727747210 SBUQTVWFJAXVME-UHFFFAOYSA-N 430.629 4.125 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 728165439 KETSLYRNVZYRDV-UHFFFAOYSA-N 441.831 4.399 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc(Oc3ccccc3)c(N)c2)cccc1[N+](=O)[O-] 728635300 LLXDCBPJWGTBKH-HNNXBMFYSA-N 435.436 4.462 5 20 IIBD C[C@H](OC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 729780082 LFJDTTDYURLUMK-INIZCTEOSA-N 447.447 4.055 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)NCc1nc(C(c2ccccc2)c2ccccc2)no1 731787923 NALYLGRDKACCKJ-UHFFFAOYSA-N 443.463 4.157 5 20 IIBD CCN1C(=O)N[C@@H](c2csc(-c3cccc([N+](=O)[O-])c3)n2)C(C(=O)OCC(C)C)=C1C 733122366 ZMPVNAZLASSYPO-SFHVURJKSA-N 444.513 4.278 5 20 IIBD CC(C)(C)C(=O)Nc1ccccc1C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 733501781 KNLZDPJKSKGMQJ-UHFFFAOYSA-N 433.848 4.028 5 20 IIBD CC(C)OC(=O)NCc1ccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 735028500 RZRQOWDDIUQJLW-UHFFFAOYSA-N 436.262 4.244 5 20 IIBD C[C@@H](OC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1 735149186 QEDGZCAGQAPYQH-LLVKDONJSA-N 427.240 4.241 5 20 IIBD CCCCc1noc(COC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)n1 736864496 UZXNTQVCYNBPSX-UHFFFAOYSA-N 440.243 4.170 5 20 IIBD Cc1ccccc1[C@@H]1C[C@@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 738395145 VNEWKMONSKHJHN-ZIAGYGMSSA-N 439.331 4.232 5 20 IIBD CSc1ccc(O[C@@H](C)C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 740995952 OQMBMLWDTZMZNF-OLZOCXBDSA-N 429.454 4.438 5 20 IIBD CN(C(=O)c1cccc(Nc2ccccc2)c1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 741110909 CPRGWYFRYXEWKX-UHFFFAOYSA-N 445.884 4.453 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCCO3)c1 741890231 BDYLNCGHHBSHIH-UHFFFAOYSA-N 433.420 4.179 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 742225323 CKXRUPOIACORQH-QGZVFWFLSA-N 428.247 4.053 5 20 IIBD C[C@@H](OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)Nc1ccc2ccccc2c1 743127673 QTHVKQZRIOULKF-OAHLLOKOSA-N 430.420 4.118 5 20 IIBD C[C@@H](CCc1cccc(F)c1)C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 744116881 NGWCWLVLGFRZNT-QFBILLFUSA-N 428.460 4.151 5 20 IIBD COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 749638799 JVQJIYBEPCTXRF-CVDCTZTESA-N 440.521 4.355 5 20 IIBD COc1cc(C(=O)OCc2cccnc2Cl)c([N+](=O)[O-])cc1OCc1cscn1 750642327 YOFMVHRZBYOTEA-UHFFFAOYSA-N 435.845 4.044 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Oc2ccc(-c3cscn3)cc2)cc1[N+](=O)[O-] 750750784 CENCHGFORBEOCS-UHFFFAOYSA-N 439.478 4.217 5 20 IIBD Cc1ccccc1Cc1noc(COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)n1 750878833 XOKGHHUKUUOUSG-UHFFFAOYSA-N 439.471 4.180 5 20 IIBD CN(C[C@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C 752011643 HSYMEWIUSCIIGK-CYBMUJFWSA-N 443.953 4.056 5 20 IIBD C[C@H]1CN(c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2Br)C[C@H](C)O1 753800735 NLFCGAZJCOGUIX-STQMWFEESA-N 434.290 4.223 5 20 IIBD C[C@@H]1CCN(C(=O)COC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c2ccccc2S1 758732419 PRWGFWXZGIFCKT-CQSZACIVSA-N 439.493 4.079 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cc2ccccc2o1 758732630 QPEWADKVRLVXFA-UONOGXRCSA-N 435.436 4.174 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl 759775138 RAYWLWPXKRGZFZ-SFHVURJKSA-N 433.940 4.493 5 20 IIBD CC(C)[C@H](NC(=O)OC(C)(C)C)c1noc([C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 762023543 GWWCCXDICHWVOU-CVEARBPZSA-N 431.449 4.065 5 20 IIBD CCOC(=O)c1oc2ccccc2c1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F 762592615 IEQYMXOVIZUELM-UHFFFAOYSA-N 428.416 4.251 5 20 IIBD O=[N+]([O-])c1ccc(N[C@@H]2CCO[C@H](C3CC3)C2)c([N+](=O)[O-])c1N[C@@H]1CCO[C@@H](C2CC2)C1 765080961 QRWPRFBOXYPSHC-YAJHFMINSA-N 446.504 4.242 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Oc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 767595015 DOKURWWBBRZNJI-CQSZACIVSA-N 436.486 4.257 5 20 IIBD O=[N+]([O-])c1ccc2nc(Sc3ccc(CN4CCC[C@H]4CO)cc3[N+](=O)[O-])sc2c1 769072499 DEMOJKAFHJKXHE-AWEZNQCLSA-N 446.510 4.221 5 20 IIBD Cc1nn(Cc2ccc(C(=O)OC[C@H]3CCO[C@H]3c3ccccc3)cc2)c(C)c1[N+](=O)[O-] 769343563 GGCBYIOAYYWXGY-GGAORHGYSA-N 435.480 4.391 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 769421698 CRNUGQFEYCXDNR-FUHWJXTLSA-N 443.548 4.121 5 20 IIBD Cn1ccnc1[C@@H](O)C1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 769432668 IVDISRLDQNEHRQ-QFIPXVFZSA-N 440.475 4.205 5 20 IIBD Cc1ccc(N(C)C(=O)c2cccc([N+](=O)[O-])c2)cc1N(C)C(=O)c1cccc([N+](=O)[O-])c1 769737340 SCLGGDPFEMOOLF-UHFFFAOYSA-N 448.435 4.365 5 20 IIBD O=C(N1CCCC[C@H]1c1nc(-c2ccccc2)no1)C(F)(F)c1ccc([N+](=O)[O-])cc1 777981556 KDVXUWIKKHEZOY-KRWDZBQOSA-N 428.395 4.490 5 20 IIBD CN(C(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)cc1)C1CCCCC1 778246112 QBFAQZOKBATEBK-UHFFFAOYSA-N 439.497 4.257 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCC1CCN(CC(F)(F)F)CC1 780604834 WIUUQXFFMPBUJU-UHFFFAOYSA-N 430.305 4.208 5 20 IIBD O=C(OCc1nnc(C2CC2)n1C1CC1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781256448 KFSJHOHXUOEKSW-UHFFFAOYSA-N 436.418 4.120 5 20 IIBD CC1CCC(N(C)C(=O)COC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 781256934 HMCFJIPLMOKUPF-UHFFFAOYSA-N 442.462 4.153 5 20 IIBD O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCC(c2nc3ccccc3s2)CC1 781563873 ONZBQOXNZCPKBC-IBGZPJMESA-N 436.493 4.104 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N(Cc1cccc(Br)c1)C1CC1 781600007 SJWOOIISOGBECU-UHFFFAOYSA-N 448.273 4.389 5 20 IIBD CN(CC(=O)Nc1ccccc1Cl)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 785026625 LCLIWRBIBBHPBK-UHFFFAOYSA-N 428.297 4.091 5 20 IIBD CN(C)c1ccc(COC(=O)c2ccccc2N(C)C(=O)c2cccs2)cc1[N+](=O)[O-] 785225841 RISANNHIZIQAII-UHFFFAOYSA-N 439.493 4.356 5 20 IIBD CCN(CC)C(=O)c1ccc(C(=O)O[C@@H]2CCCN(c3ccc(F)cc3[N+](=O)[O-])C2)cc1 787030893 NAUGULLSYVMURV-LJQANCHMSA-N 443.475 4.042 5 20 IIBD CC(C)c1ccc(-c2ncc(COC(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)s2)cc1 789850071 IKATXSVTIHPSTC-UHFFFAOYSA-N 439.493 4.315 5 20 IIBD CC(=O)c1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)ccc1C 789924034 MXJDPWMGYHKCNC-UHFFFAOYSA-N 435.402 4.087 5 20 IIBD CC1CCN(C(=O)c2ccc(NC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])cc2)CC1 790542816 RCGNFQYSXDYOIM-UHFFFAOYSA-N 433.867 4.441 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cc3c(cc2NC(=O)OC(C)(C)C)OCO3)c1F 790832450 OAMOPYXWLSOSKF-UHFFFAOYSA-N 433.392 4.370 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(-n2nccc2C(F)(F)F)c1 791812217 QVLIBAWZNZQORW-UHFFFAOYSA-N 436.302 4.065 5 20 IIBD CCC(=O)c1ccc(N2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)c([N+](=O)[O-])c1 795084220 FVVBNOQUCLETCS-OAHLLOKOSA-N 428.464 4.365 5 20 IIBD CCC[C@@H](Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)[C@@H](O)c1ccccc1 795207629 ONMPYYMWXWWEQA-XLIONFOSSA-N 428.876 4.108 5 20 IIBD Cc1ccc([C@H](O)[C@H](C)NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 804473408 OGRBDEAJKYGJSL-HKARXFIJSA-N 434.496 4.323 5 20 IIBD CC[C@@H](c1ccccc1OC)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 805145021 LLGKJFQGNOZWLC-HNNXBMFYSA-N 443.319 4.138 5 20 IIBD O=[N+]([O-])c1cc(CN2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)ccc1Br 805780211 BBTDZNOEUWOBSR-GOEBONIOSA-N 437.294 4.319 5 20 IIBD Cc1nccn1-c1ccc(-c2noc(-c3cc([N+](=O)[O-])ccc3N3CCCCC3)n2)cn1 809375534 FKQFKQJAQYBANK-UHFFFAOYSA-N 431.456 4.191 5 20 IIBD O=[N+]([O-])c1cc(CNCc2nc3ccccn3c2Br)cc(C(F)(F)F)c1 809656385 ZZLVPPYGCIKKLR-UHFFFAOYSA-N 429.196 4.314 5 20 IIBD Cc1cc(=NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c2ccccc2[nH]1 809886732 AREITRMLNFEDAK-UHFFFAOYSA-N 441.285 4.226 5 20 IIBD Cc1cccc([C@H](CC(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])NC(N)=O)c1 811075240 UUGBLDCPGBSNCM-HNNXBMFYSA-N 426.256 4.053 5 20 IIBD NC(=O)[C@@H](OC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1cccc(Br)c1 811373470 FQAXTYCVTILMMC-ZDUSSCGKSA-N 448.056 4.048 5 20 IIBD C[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N2CCCOC2=O)cc1 814353490 VDBQHOSZJDYSJM-AWEZNQCLSA-N 447.875 4.241 5 20 IIBD Cc1nc(C(=O)O[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)c(C)o1 814507934 QODUFABXIDURPU-SFHVURJKSA-N 429.816 4.390 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1 815372716 WTOIARACCQDWBJ-UHFFFAOYSA-N 445.859 4.358 5 20 IIBD CC(C)(C)OC(=O)NC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CCCC1 816499238 JQIIFNIGJRASRB-INIZCTEOSA-N 445.438 4.427 5 20 IIBD COCOc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cc1 819575945 YLZCMKSNPPFOQF-UHFFFAOYSA-N 449.463 4.127 5 20 IIBD O=C(O)CCCc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cc1 821191230 KLQYMJLRXNSWLT-UHFFFAOYSA-N 433.269 4.110 5 20 IIBD C[C@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)N[C@H](C)c1ccc(Cl)cc1 822598635 OKDRNNPPMNIBIT-CABCVRRESA-N 445.903 4.271 5 20 IIBD O=C(Nc1ccc(OS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccccc1 913073085 RFAHKPHLNYDLOH-UHFFFAOYSA-N 432.841 4.268 5 20 IIBD C[C@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(Cc2cc([N+](=O)[O-])ccc2Cl)C1=O 915668048 ZTCCBIYGFYEEDB-QGZVFWFLSA-N 427.766 4.234 5 20 IIBD O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1cc(Br)c(Br)o1 916664229 QVVMFARHBWDTAN-WDZFZDKYSA-N 442.019 4.057 5 20 IIBD CCCCCCn1nc(C(=O)OCc2cc(F)ccc2[N+](=O)[O-])c2ccccc2c1=O 918797677 AHEIDUDBKQFEQN-UHFFFAOYSA-N 427.432 4.381 5 20 IIBD COc1ccc([C@H]2CCCCCN2C(=O)COC(=O)c2c(C)cccc2[N+](=O)[O-])cc1 918921836 WNZLYNSBHXENRV-LJQANCHMSA-N 426.469 4.213 5 20 IIBD COc1cc(C(=O)Oc2ccc(C(C)=O)cc2)c([N+](=O)[O-])cc1OCc1cscn1 919971935 GLJAYEORGIBRTB-UHFFFAOYSA-N 428.422 4.061 5 20 IIBD CC(C)n1ncc2c1[C@@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])CCC2 1320369189 KGCVOFGZCSLWNJ-AWEZNQCLSA-N 432.424 4.155 5 20 IIBD COc1ccc(NC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)c([N+](=O)[O-])c1 1517294223 JOTSDSYVRMQOPG-KRWDZBQOSA-N 426.395 4.047 5 20 IIBD O=C(CCc1ccc[nH]1)Nc1ccc(C2(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)CCC2)cc1 1788191619 OFZRLEOBVTZVAR-UHFFFAOYSA-N 448.479 4.009 5 20 IIBD COc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])[nH]4)cc3)CCC2)c(C)c1 1790187199 FKUHUASKACVMNM-UHFFFAOYSA-N 448.479 4.301 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@H]3CCCS3)CCC2)cc1)c1ccc([N+](=O)[O-])cc1F 1790625309 ZTWZVGJOJPGEQY-LJQANCHMSA-N 443.500 4.377 5 20 IIBD C[C@@H]1CCC[C@H]1C(=O)NC1(c2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc2)CCC1 1790755947 HHZHKNZCYUFURE-QVKFZJNVSA-N 437.496 4.484 5 20 IIBD Cc1ccc([C@H](C)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2ccc(C)c([N+](=O)[O-])c2)cc1 1800140170 VJFULRMJOKUIKE-IITNATTFSA-N 449.551 4.196 5 20 IIBD C[C@@H]1C[C@]1(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1830228248 QRLCMAKQTDYQFD-ZWZQWCOVSA-N 439.556 4.274 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])OCC(=O)N(Cc1ccccc1)c1ccccc1 10636363 OGFPAVXNMYPWNS-UHFFFAOYSA-N 436.489 4.464 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 10908118 QSNQTTKSZBZESD-UHFFFAOYSA-N 446.438 4.282 5 20 IIBD C[C@H](Sc1nnc(-c2ccc(F)cc2)n1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 17655254 WXKAFOIXOYRGNY-NSHDSACASA-N 426.433 4.433 5 20 IIBD CCCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)nnc1-c1cccc(C)c1 21114270 QGZUREOXGODEAM-UHFFFAOYSA-N 441.513 4.311 5 20 IIBD C[C@H](OC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 22941476 MQBFTHXXMCBPPU-HNNXBMFYSA-N 440.452 4.139 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 27800244 UREWXXHEPFYOPD-WDEREUQCSA-N 441.267 4.333 5 20 IIBD O=C(NCc1ccccc1CN1CCN(c2ccccc2)CC1)Nc1cccc([N+](=O)[O-])c1 31096130 XCIAVBQNCORWMB-UHFFFAOYSA-N 445.523 4.239 5 20 IIBD COc1cc(C(=O)NC[C@@H](C)Cn2cccn2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 58334817 KTLUQVXTOAXMFC-CQSZACIVSA-N 444.875 4.312 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(CCc2ccccc2)Cc2cccnc2)cc1C 60510552 KSWQPPIAPMASBT-UHFFFAOYSA-N 425.510 4.040 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 61922611 BPRFDDHLWANOFL-RZDLDHBLSA-N 441.487 4.255 5 20 IIBD COc1ccc([C@@H](NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)c2ccccc2)cc1 105677903 WSVJWMPAHIZGHY-QHCPKHFHSA-N 443.463 4.012 5 20 IIBD COc1ccc(-c2ccc(CNCCNC(=O)c3ccccc3Cl)o2)c([N+](=O)[O-])c1 237427073 PKFIYMVMQRTAGF-UHFFFAOYSA-N 429.860 4.036 5 20 IIBD COc1cc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc(OC)c1Br 248068781 SACFRQBUNUJLET-UHFFFAOYSA-N 443.681 4.300 5 20 IIBD C[C@@H](NC1(CNc2c(Br)cncc2[N+](=O)[O-])CCOCC1)c1ccccc1 301903808 XQJHNOXORCPQGB-CQSZACIVSA-N 435.322 4.064 5 20 IIBD COc1ccc([C@H](C)Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1Br 301933284 PVPVCWLRILWYON-QMMMGPOBSA-N 435.321 4.004 5 20 IIBD CS(=O)(=O)c1cc(C(=O)N[C@@H](CCc2ccccc2)c2ccccc2)cc([N+](=O)[O-])c1 303040877 SWEDHAWBTMQOSB-QFIPXVFZSA-N 438.505 4.102 5 20 IIBD COc1cc(C(=O)NCC(C)(C)c2cccs2)c([N+](=O)[O-])cc1OCc1cscn1 303538290 IZVPHJKUPCSTSP-UHFFFAOYSA-N 447.538 4.408 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCc2ccn(-c3ccccc3)n2)cc1[N+](=O)[O-])c1ccccn1 409908206 FVSLDFKWUVVRNU-KRWDZBQOSA-N 442.479 4.279 5 20 IIBD O=C(N[C@H](CN1CCCC1=O)c1ccccc1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 410117926 GULZFMVHDYPJFU-JOCHJYFZSA-N 444.491 4.432 5 20 IIBD C[C@@H]1[C@@H](CO)CCN1C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 427825733 ZAOMAZMTHTVRQC-TZMCWYRMSA-N 429.523 4.199 5 20 IIBD O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 428890004 SWCGKWGNNRQGRP-UHFFFAOYSA-N 441.856 4.197 5 20 IIBD O=C(Nc1cc2c(cc1Cl)OCCCO2)c1ccc(Br)cc1[N+](=O)[O-] 429933496 MQBIMKUXDLFJCY-UHFFFAOYSA-N 427.638 4.424 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N[C@@H](CO)CC(F)F 430524636 LWJCTOSFLAGYMY-KQGZCTBQSA-N 447.463 4.268 5 20 IIBD C[C@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 436240741 JPJPJASSHQPKJR-HLLBOEOZSA-N 439.506 4.437 5 20 IIBD CCOc1cc(-c2noc(-c3ccc([N+](=O)[O-])cc3OC)n2)cc(Br)c1O 436876298 HOWDROMVMXFUJL-UHFFFAOYSA-N 436.218 4.187 5 20 IIBD COC(=O)C[C@H](NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)c(F)c1 438935727 JKRZKASDLBIODC-AWEZNQCLSA-N 429.231 4.383 5 20 IIBD O=[N+]([O-])c1cc2c(c(C[S@@](=O)Cc3csc(CCc4ccccc4)n3)c1)OCOC2 439508579 CXBSSJHPWOOOOU-SSEXGKCCSA-N 444.534 4.152 5 20 IIBD CO[C@@H]1CCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 441460852 VPBYICDHQAXNDX-VGOFRKELSA-N 434.496 4.016 5 20 IIBD O=[N+]([O-])c1cc2c(c(CS(=O)(=O)[C@H]3CCc4c(Cl)cc(Cl)cc43)c1)OCOC2 443435971 KWYIUWJPAWIGQS-KRWDZBQOSA-N 444.292 4.370 5 20 IIBD CCO[C@@H]1C[C@@H](N(C)C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C12CCC2 444240458 RFNPWWRPSODUAP-WOJBJXKFSA-N 426.463 4.379 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2 446488054 ILWAHOSTBOQPHY-NSHDSACASA-N 436.262 4.320 5 20 IIBD COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3N)C2)n1 446793418 PXQKYPBCGMXBPT-CQSZACIVSA-N 438.509 4.329 5 20 IIBD O=C(NCC1(CO)CC(c2ccccc2)C1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 447626033 CLEYBNCVLYJHTH-UHFFFAOYSA-N 448.469 4.246 5 20 IIBD CC[C@@H](C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccc(F)cc1 460762072 ZXLRCFWMVPOXNI-MRXNPFEDSA-N 449.485 4.156 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2cc(-c3ccncc3)nn2C)cc1[N+](=O)[O-])c1ccccn1 463890183 BZLSEFWLAKQSBV-OAHLLOKOSA-N 443.467 4.211 5 20 IIBD COCCCN(C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)C1CCN(C)CC1 464720534 QCAYFODVYSFEAE-UHFFFAOYSA-N 443.569 4.319 5 20 IIBD COc1ccc([C@H](C)CCNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 466051516 CVXPATQPJOJZDE-QGZVFWFLSA-N 427.501 4.350 5 20 IIBD CCn1ncc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1C(F)(F)F 466519338 QDIUELSXAOIPRO-UHFFFAOYSA-N 425.411 4.319 5 20 IIBD C[C@@H](NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])C(=O)NC(C)(C)C 466630233 XJIDHTOJXFEYKE-GFCCVEGCSA-N 435.933 4.432 5 20 IIBD Cc1c(C(=O)N2CCC(F)(c3cccc(Cl)c3)CC2)nnn1-c1cccc([N+](=O)[O-])c1 466869869 FQUGACJOWKDGCG-UHFFFAOYSA-N 443.866 4.238 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H](Oc3ccncc3)C2)cc1 469442517 JXWNUNGFTRCCBI-FQEVSTJZSA-N 435.436 4.084 5 20 IIBD Cc1ccc(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c(-n2cc(Cl)cn2)n1 470319277 RWPGGIJIBKMBEL-UHFFFAOYSA-N 443.894 4.154 5 20 IIBD CC[C@@H](CN(C)C(=O)CCn1cc([N+](=O)[O-])nc1C)Oc1ccc(Cl)c(Cl)c1 470727105 MUHVFEQXXNKCQU-ZDUSSCGKSA-N 429.304 4.113 5 20 IIBD O=C(Nc1ccc(OC[C@@H](O)COc2cccc3[nH]ccc23)cc1)c1cccc([N+](=O)[O-])c1 471433844 SRFAUCNCKHCBEO-LJQANCHMSA-N 447.447 4.147 5 20 IIBD COC(C)(C)CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 471677555 QEZIBOFHQCFLMK-QGZVFWFLSA-N 436.306 4.052 5 20 IIBD CN(C(=O)CN1CCSC[C@@H]1c1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 473194753 UDKZMIPCFADMNK-GOSISDBHSA-N 439.459 4.367 5 20 IIBD O=C(NCCNc1ccccc1[N+](=O)[O-])N[C@@H](c1cccc(Cl)c1)c1ccccn1 473872260 ABIVBSPMQQAQJL-FQEVSTJZSA-N 425.876 4.144 5 20 IIBD CNC(=O)c1ccc(N[C@H](c2cccc(OC)c2)c2cc(F)ccc2OC)c([N+](=O)[O-])c1 474154133 MXNRFOPPLNURJI-JOCHJYFZSA-N 439.443 4.312 5 20 IIBD O=C(Nc1cccc(-n2cnnc2O)c1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 474910294 VLZDTKSMQOQYAW-UHFFFAOYSA-N 433.449 4.285 5 20 IIBD COC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 475883515 VPKINTJBTVWJEX-NQIIRXRSSA-N 448.523 4.493 5 20 IIBD Cc1cc(C(=O)N[C@H](CO)c2ccc(Br)cc2C(F)(F)F)cc([N+](=O)[O-])c1 478437034 YVNBDBAMZKFLAS-OAHLLOKOSA-N 447.207 4.148 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O 479776342 ZANFIZMHLVBLJN-AWEZNQCLSA-N 442.781 4.194 5 20 IIBD CNC(=O)c1cc(Oc2cc(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)ccc2C)ccn1 481180814 MLQPFPPAZXQNAP-UHFFFAOYSA-N 445.435 4.184 5 20 IIBD Cc1ccc(C(C)(C)C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 482164931 QOIICBHFLWVCJL-UHFFFAOYSA-N 445.522 4.109 5 20 IIBD COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 484238951 ATNRQXOQKTZBTA-UHFFFAOYSA-N 438.267 4.040 5 20 IIBD CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 485660996 YKEGUVLPLFJIRA-HNNXBMFYSA-N 427.501 4.408 5 20 IIBD C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1nc(C(F)(F)F)cs1 486644250 HVQWRXXVJGISMR-NSHDSACASA-N 428.436 4.164 5 20 IIBD COc1cc(Oc2ccccc2)ccc1NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 488924667 ZVGSDDBKBDSPHD-UHFFFAOYSA-N 437.456 4.461 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN([C@@H](C)c2nc(-c3cccs3)no2)CC1 489222784 IERYBCMOAWKIBD-CVEARBPZSA-N 427.530 4.455 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2nnc3ccccn23)C1 490143744 UIMJFTZGHGSJNJ-INIZCTEOSA-N 439.541 4.405 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCC[C@H](c1ccccc1)C(F)(F)F 490793428 IMJLITYNTMRXHF-MRXNPFEDSA-N 433.386 4.374 5 20 IIBD CC(=O)Nc1cc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc(C(F)(F)F)c1 498149561 NJLOKHGAWJTNNL-GOSISDBHSA-N 439.415 4.460 5 20 IIBD C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 498168279 ZIWWPNGKGJZDAK-APPDUMDISA-N 426.803 4.452 5 20 IIBD COc1cccc(NC2CCN(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 498482752 CHUMOYBQYMZMSV-UHFFFAOYSA-N 432.908 4.085 5 20 IIBD CCOc1ccc(C(=O)Nc2cc(F)c(I)c(F)c2)cc1[N+](=O)[O-] 500143826 PFRIYYMPPHXMRY-UHFFFAOYSA-N 448.163 4.129 5 20 IIBD CC[C@]1(c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2)CCC(=O)NC1=O 507621496 OBGRYSIDFIGDPA-JOCHJYFZSA-N 437.477 4.146 5 20 IIBD COC(=O)c1cccc2c1CCCN2C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 509859683 ITBGHDHRTMKZHP-UHFFFAOYSA-N 433.258 4.045 5 20 IIBD COc1cc(C(=O)NCc2c(C)cc(C)cc2C)c([N+](=O)[O-])cc1OCc1cscn1 509941081 GFPNQZQUKSOUTF-UHFFFAOYSA-N 441.509 4.494 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NCCC2CCOCC2)c([N+](=O)[O-])c1 511676336 UBLAZNFJTSQWCF-UHFFFAOYSA-N 433.530 4.039 5 20 IIBD O=C(CSc1nc2cc(Br)cnc2[nH]1)Nc1ccc(Cl)cc1[N+](=O)[O-] 511897968 IKVJYYCTGOPHGQ-UHFFFAOYSA-N 442.682 4.013 5 20 IIBD CC(C)[C@H](NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 513806474 JSNLJMHONZCNBI-KRWDZBQOSA-N 444.431 4.144 5 20 IIBD COCCOc1ccc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1Cl 516016810 CYRNGRXZHSUORG-UHFFFAOYSA-N 435.285 4.036 5 20 IIBD Cc1cc(NCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)c2cccc([N+](=O)[O-])c2n1 516576032 DAVNHVOACBBVFK-UHFFFAOYSA-N 445.479 4.433 5 20 IIBD CN(Cc1ccccc1Br)C(=O)CCNc1ccc2ncccc2c1[N+](=O)[O-] 517661656 CJDUBKJEKYWYFS-UHFFFAOYSA-N 443.301 4.366 5 20 IIBD C[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1cccc(S(=O)(=O)N(C)C)c1 518783384 KKHRYILBMZNOQJ-HNNXBMFYSA-N 445.566 4.424 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1cccc(NC(=O)C2CCCC2)c1 518832805 KMCSOYLJNMUFEG-AWEZNQCLSA-N 445.903 4.461 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@H](C)COCC(F)(F)F)cc2[N+](=O)[O-])n1 520857569 GZSIBIURHSHWKW-SECBINFHSA-N 435.449 4.208 5 20 IIBD O=C(NC1CC1)c1ccc(CN(Cc2ccco2)C(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 521335733 DRDNYFVZGGSSRS-UHFFFAOYSA-N 437.427 4.062 5 20 IIBD Cc1ccc(C(C)C)c(Oc2ccc(CNC[C@H]3CN(C)CCN3C)cc2[N+](=O)[O-])c1 521379203 HYPBZMHLYKQLGE-FQEVSTJZSA-N 426.561 4.154 5 20 IIBD O=C(NC[C@H]1CCCN(Cc2cccs2)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 522017448 OCMAZBGHTVNZBB-CYBMUJFWSA-N 427.448 4.317 5 20 IIBD CCN(CCCNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1ccccc1 523298706 AQUQIVYAYWZPCZ-UHFFFAOYSA-N 427.892 4.123 5 20 IIBD O=[N+]([O-])c1cccc(-n2nc(-c3ccco3)cc2NS(=O)(=O)Cc2ccc(F)cc2)c1 524034195 NYYPHBRVRSLVPL-UHFFFAOYSA-N 442.428 4.122 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1cccc(CCCc2ccccc2)c1 524208667 QFOOKIYCYJNITJ-UHFFFAOYSA-N 431.448 4.317 5 20 IIBD Cc1c(C(=O)Nc2ccc3oc(CC(C)(C)C)nc3c2)nnn1-c1cccc([N+](=O)[O-])c1 524570911 ZZYUWPOSPPVHCT-UHFFFAOYSA-N 434.456 4.466 5 20 IIBD O=C(c1cnn(Cc2ccccc2Cl)c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 524653625 CLYZLFUZOJKXAM-HXUWFJFHSA-N 428.901 4.381 5 20 IIBD CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 525024422 UDCRIJSTSAMRNY-UHFFFAOYSA-N 441.253 4.176 5 20 IIBD CCN(CC)S(=O)(=O)c1cc(NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)ccc1C 534057776 UBBMGJQQJJYEGR-UHFFFAOYSA-N 444.513 4.201 5 20 IIBD CC(C)Cn1ncc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1C(F)F 535506553 FSYNWIDCQGDBHS-UHFFFAOYSA-N 443.259 4.493 5 20 IIBD CCc1nc2ccccc2n1C1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 536747950 UMAOIYTXCWUEHK-UHFFFAOYSA-N 432.484 4.394 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(F)cc2OCC(F)F)cc1[N+](=O)[O-] 540198695 HHQMRKGZWDHNBR-UHFFFAOYSA-N 430.404 4.258 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cccc(-c4ncn(C)n4)c3)cc2[N+](=O)[O-])C1 541247141 RWRWZTOVVBRKPT-HZPDHXFCSA-N 434.500 4.125 5 20 IIBD Cc1cc(C)c2c(c1)c(C)cc1nnc(SC[C@H](O)COc3ccccc3[N+](=O)[O-])n12 542189145 GFWVAYOYZXUJQZ-MRXNPFEDSA-N 438.509 4.248 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] 542279203 NXKROLKFDFGRKW-WMZOPIPTSA-N 427.526 4.459 5 20 IIBD C[C@H](C[S@@](C)=O)NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 543368200 ZBWVSYZFVYZIDI-GYLAPXLVSA-N 443.550 4.018 5 20 IIBD Cc1c([C@H](C)N[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cnn1C 543519938 XLZCWCKPLFPSIP-RBZFPXEDSA-N 427.892 4.321 5 20 IIBD COc1ccc(OCc2ccccn2)c(/C=C\c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)c1 545075841 TUCXFSOYXLAVDS-YHYXMXQVSA-N 445.435 4.117 5 20 IIBD Cc1nc2c(c(C(F)(F)F)n1)C[C@H](c1nc(Cc3cccc([N+](=O)[O-])c3C)no1)CC2 547194840 OTHYCCYSAQAVRE-CYBMUJFWSA-N 433.390 4.267 5 20 IIBD Cc1cc(Br)ccc1C(=O)N1CCC(NCCc2ccccc2[N+](=O)[O-])CC1 548067114 FHYNSHKDIWSMDH-UHFFFAOYSA-N 446.345 4.103 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2c(C)cnn2[C@@H]2CCN(Cc3ccccc3)C2)c1 549295261 ZZZYNFBFYOPSSL-LJQANCHMSA-N 449.511 4.198 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCOc2ccc(F)cc21 551561224 XTOJCWYNTVEGIY-KRWDZBQOSA-N 448.472 4.033 5 20 IIBD C[C@H](O)C[C@@H]1CCCCCN1C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 553047656 PGCFRWIDOSQSAN-SCTDSRPQSA-N 426.517 4.319 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CSc2ccc(Br)cc21 555204955 KTOJXIBZBNZLGV-MRXNPFEDSA-N 436.331 4.388 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 557449443 SCLHJXQSRPHVEC-DEOSSOPVSA-N 430.508 4.297 5 20 IIBD Cc1cccc(NC(=O)Nc2cccc(CNc3nc(O)c4cc([N+](=O)[O-])ccc4n3)c2)c1 561130497 KTRVZIMBCUSQHA-UHFFFAOYSA-N 444.451 4.808 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@H](n3cc(Cl)cn3)C2)c([N+](=O)[O-])c1 565509676 LGSQCTDHOQLJJL-RXVVDRJESA-N 439.903 4.380 5 20 IIBD COc1ccc(Cc2nc(CC(=O)Nc3c(Cl)cccc3Cl)no2)cc1[N+](=O)[O-] 567437967 UMFYJEZQFAFSTN-UHFFFAOYSA-N 437.239 4.065 5 20 IIBD C[C@H](C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1)c1cccc([N+](=O)[O-])c1 569873683 OWTPKPDBPQUHAD-GJZGRUSLSA-N 432.318 4.104 5 20 IIBD COc1ccc(NC(=O)CCN[C@H](C)c2nc(-c3ccccc3)cs2)c([N+](=O)[O-])c1 572525428 FLJGRCDWAHDRTC-CQSZACIVSA-N 426.498 4.406 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(c2ccnc3ccccc23)CC1 573045585 VPORIECUIZGQOT-INIZCTEOSA-N 430.468 4.076 5 20 IIBD O=C(Nc1cccc(-n2cc(C(F)(F)F)cn2)c1)N1CCc2c(cccc2[N+](=O)[O-])C1 575409031 JCZZVXQANAEWEK-UHFFFAOYSA-N 431.374 4.390 5 20 IIBD COCC1(c2noc(-c3cc(I)cc([N+](=O)[O-])c3)n2)CCCCC1 589379604 MEXNDUDZTNINHI-UHFFFAOYSA-N 443.241 4.098 5 20 IIBD CCOc1cc(CN2CC(C)(C)[C@@H]2C2CC2)ccc1OCCn1c([N+](=O)[O-])cnc1C 589517586 IWYMRONPRPVJAY-QFIPXVFZSA-N 428.533 4.198 5 20 IIBD Cc1ccc2nc(COc3cccc(C(=O)N(C)Cc4ccccc4[N+](=O)[O-])c3)cn2c1 603569053 RGRUJUHTESZZFP-UHFFFAOYSA-N 430.464 4.402 5 20 IIBD O=[N+]([O-])c1ccc(OCc2ccc(S(=O)(=O)N3CCCC3)o2)c(Cc2ccccc2)c1 603723095 AGUQPQGZXALFKP-UHFFFAOYSA-N 442.493 4.142 5 20 IIBD COc1ccc(CSc2nnc(N3CCC[C@@H](C)C3)n2Cc2ccco2)cc1[N+](=O)[O-] 603724395 QBPUWHJKPNRJMK-OAHLLOKOSA-N 443.529 4.365 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc([C@H](C)Nc2ccc3cc([N+](=O)[O-])ccc3n2)cc1 603838140 YZOTUKWBZNPCTR-HNNXBMFYSA-N 428.514 4.347 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1 603983952 OTHTTXMQEPBRJN-UHFFFAOYSA-N 431.514 4.109 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(Cl)cc1NC(=O)c1ccco1 604007963 YFMAOZQQQRALTO-UHFFFAOYSA-N 428.832 4.453 5 20 IIBD CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 604519696 PPDBENJREMCYQO-XXBNENTESA-N 434.496 4.235 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)c([N+](=O)[O-])c1 604521542 PUQPINQGGLJCQW-ZJBJCVSYSA-N 427.501 4.030 5 20 IIBD COc1cc(CNCc2c(C)cc(C)nc2OC)ccc1OCc1ccc([N+](=O)[O-])cc1 608982850 FOJBXHDGOUPCTJ-UHFFFAOYSA-N 437.496 4.493 5 20 IIBD O=C(CCCOc1cccc(Br)c1)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 609151812 ZKUBBGDIXGYPIO-UHFFFAOYSA-N 445.273 4.341 5 20 IIBD Cc1cccc2nc(CNC(=O)c3ccc(N[C@H](C)c4ccccn4)c([N+](=O)[O-])c3)cn12 609462642 OVBKXVYOQBDFMP-MRXNPFEDSA-N 430.468 4.049 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@H](CCN(C)C)C(C)(C)C)cc1[N+](=O)[O-])c1ccccn1 609698610 GQHCIIVSILQQGU-HRAATJIYSA-N 427.549 4.259 5 20 IIBD COc1ccc(CN[C@@H](CO)c2c(F)cccc2F)cc1OCc1ccc([N+](=O)[O-])cc1 609708347 GJXSVIIYEGBQPO-FQEVSTJZSA-N 444.434 4.284 5 20 IIBD O=[N+]([O-])c1cccc(-n2nc(-c3ccco3)cc2NS(=O)(=O)c2ccc(F)c(F)c2)c1 609831315 YQFVULVKHPRVMY-UHFFFAOYSA-N 446.391 4.120 5 20 IIBD Cc1ccc(NCCCNC(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)c([N+](=O)[O-])c1 610095520 XJWIWTDWSZIMOH-KRWDZBQOSA-N 446.479 4.224 5 20 IIBD O=C(Nc1nnc(Cc2ccccc2)s1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 610317638 NBQDDVZKCGPREP-UHFFFAOYSA-N 439.497 4.112 5 20 IIBD CO[C@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccccc1Cl 610789842 WRKYLBQMEUVGLO-MRXNPFEDSA-N 432.782 4.307 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ccc(F)cc1OC1CCCC1 610926705 FEJDNPQQJRYVMA-UHFFFAOYSA-N 435.839 4.077 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@H](C(C)(C)C(=O)O)C2)cc1 611478706 XDMMCZDBYDNTMW-HNNXBMFYSA-N 442.468 4.359 5 20 IIBD O=C(NC[C@@H](Oc1ccc(F)cc1)C(=O)O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 617731550 XZCUEQNDOOJXHU-GOSISDBHSA-N 448.472 4.031 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@H]2CCc3cc(O)ccc3C2)cc1[N+](=O)[O-])c1ccccn1 618250285 VEMUSPXHOFQTDM-KXBFYZLASA-N 432.480 4.156 5 20 IIBD CN(Cc1ccc(C(=O)NC2CC2)cc1)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] 618582964 UMXVLVNETNABLA-UHFFFAOYSA-N 444.360 4.173 5 20 IIBD COc1cc(C(=O)OCC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)ccc1[N+](=O)[O-] 725945809 PZWGKYQKAPKTDJ-KRWDZBQOSA-N 432.448 4.193 5 20 IIBD O=C(/C=C\c1nc2ccccc2s1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 726360264 LDJVOWJMSCYKMV-FPLPWBNLSA-N 436.415 4.465 5 20 IIBD O=C1CN(CN2Cc3ccccc3-c3ccccc3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 726593106 YPOYPEJEFBZUEF-UHFFFAOYSA-N 428.448 4.004 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)c(C(F)(F)F)c1 727432930 FMDVRLUSCKLAKE-UHFFFAOYSA-N 447.373 4.397 5 20 IIBD CN(C)c1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cc1 727584952 CARKLLNNTAMHDB-UHFFFAOYSA-N 437.422 4.034 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N[C@@H](c1ccccc1)[C@H]1CCCO1 727828936 DNQJCXQJPHHZBI-SJORKVTESA-N 430.404 4.221 5 20 IIBD COC(=O)c1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)c(OCC(F)(F)F)c1 727981428 MKTCZHQRBSOREJ-UHFFFAOYSA-N 429.376 4.131 5 20 IIBD O=C(C[C@H](c1ccccc1)C(F)(F)F)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 728770687 VHGRLFQVVLXPKQ-OAHLLOKOSA-N 444.793 4.257 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1)c1ccsc1 728886848 UKDHYWMBMKUCJW-UHFFFAOYSA-N 434.433 4.314 5 20 IIBD CCc1ccc(-c2csc(NC(=O)COC(=O)c3ccc([N+](=O)[O-])cc3F)n2)cc1 732328925 FRSWCNVLAPHJAA-UHFFFAOYSA-N 429.429 4.215 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H](O)c2cccc(OC(C)C)c2)CC1 735122910 XETOSUFNQIUQMO-HSZRJFAPSA-N 441.528 4.082 5 20 IIBD Cc1ccc(NCCCNC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)c([N+](=O)[O-])c1 740443277 DRNNGIGTWUEHHN-QZTJIDSGSA-N 441.532 4.141 5 20 IIBD CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C(=O)Cc1cccc([N+](=O)[O-])c1 742071468 MZGKBVSKZHEGQI-UHFFFAOYSA-N 425.485 4.141 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccccc1C(=O)Nc1ccccc1 742624368 NVHUINMHEBBMLO-UHFFFAOYSA-N 426.450 4.177 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)OCc2ncc(-c3cccc(Br)c3)o2)c1 744867237 QQHZGOHZMJAZGB-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)cccc1[N+](=O)[O-] 745744300 BJPCNXVPSFZZJO-GTNSWQLSSA-N 441.267 4.204 5 20 IIBD Cc1c(C(=O)NCc2ccc(OCc3ccccn3)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748625031 VREBMDXCARSYNM-UHFFFAOYSA-N 436.424 4.024 5 20 IIBD COc1cccc(OC)c1Oc1ccc(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])cn1 749910519 BEMRRYINPAMFJT-UHFFFAOYSA-N 443.843 4.383 5 20 IIBD O=[N+]([O-])c1cccc(-c2ncn(CNC3(c4cccc(Br)c4)CCC3)n2)c1 750871168 CLKXJQZYDMVLHG-UHFFFAOYSA-N 428.290 4.242 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCCc2cc(Br)cc(F)c21 751280755 WYOLMKPJVZMFNX-UHFFFAOYSA-N 449.685 4.291 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCC(OC[C@H]2CCCO2)CC1 751343752 DDQQPTYLZOCQFA-HXUWFJFHSA-N 426.469 4.187 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] 752022540 CAOFEOUACKNAFK-CVEARBPZSA-N 434.537 4.299 5 20 IIBD Cc1nc(-c2cccc(NC(=O)COC(=O)c3c(F)ccc([N+](=O)[O-])c3F)c2)cs1 752568607 RIJGDXMBBFOWQQ-UHFFFAOYSA-N 433.392 4.100 5 20 IIBD CC[C@H](C(=O)OCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 752576513 CMPZWUSBAOPEHM-HNNXBMFYSA-N 440.374 4.298 5 20 IIBD Cc1c(Br)cc(C(=O)O[C@H](C)C(=O)Nc2cc(F)ccc2F)cc1[N+](=O)[O-] 753432076 KREMEFVLYBMYGJ-SECBINFHSA-N 443.200 4.128 5 20 IIBD O=[N+]([O-])c1cn(CN2CCC[C@H](COc3ccccc3Cl)C2)nc1-c1ccncc1 753963699 QBAFOMLBKXMDHE-INIZCTEOSA-N 427.892 4.255 5 20 IIBD O=C(C[C@H]1CCCCO1)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 756512262 VMZMUVZYYOFRIG-OXQOHEQNSA-N 432.860 4.430 5 20 IIBD C/C(=C/c1ccccc1)CN(C)C(=O)c1ccc(I)c([N+](=O)[O-])c1 756772728 FACXGXFIQUKFAD-RAXLEYEMSA-N 436.249 4.375 5 20 IIBD C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 759853140 OPIXACHYFZIJOE-GFCCVEGCSA-N 429.816 4.251 5 20 IIBD Cc1cc(-c2noc([C@@H](C)NC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)n2)ccc1F 760824850 LARWWZMWSMASDC-GFCCVEGCSA-N 443.391 4.108 5 20 IIBD O=C(NCCCc1nc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)no1)c1cccnc1 761859356 VFHMISSGAXUWGK-UHFFFAOYSA-N 445.435 4.195 5 20 IIBD CN1CC[C@H](CNC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 762736303 SXOCWBLBJPBQGQ-ZMZPIMSZSA-N 427.810 4.088 5 20 IIBD C[C@H](OC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C(=O)Nc1ccccc1Br 762902644 ANSKWDOSXWFEKG-JTQLQIEISA-N 432.230 4.023 5 20 IIBD CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)CC1 763489948 CPLFDYOYVAAIDX-GOSISDBHSA-N 425.382 4.060 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 764587136 VRLUOARPCHJDJX-HUUCEWRRSA-N 437.562 4.472 5 20 IIBD CCn1c(SC[C@@H](O)c2cccc(Br)c2)nnc1-c1ccc([N+](=O)[O-])cc1 764690853 ZSVYWIUPBZPCBF-MRXNPFEDSA-N 449.330 4.461 5 20 IIBD CC(C)n1cc2c(n1)[C@H](NC(=O)N1CCC(Oc3ccc([N+](=O)[O-])cc3)CC1)CCC2 765920464 FVMCUXLEBJUFCI-HXUWFJFHSA-N 427.505 4.003 5 20 IIBD O=C1/C(=C/c2ccc(Br)cc2[N+](=O)[O-])NC(=S)N1c1ccccc1Cl 767718333 UDQYOPOLRZDSBN-GHXNOFRVSA-N 438.690 4.273 5 20 IIBD CC(=O)[C@H](Cc1ccc(F)c(F)c1F)OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 768394039 HSPRBZDCTWXVHS-ZBEGNZNMSA-N 427.400 4.236 5 20 IIBD O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1CCC(Cc2ccc(F)c(F)c2)CC1 768906219 DATYNYXZKGXIRN-UHFFFAOYSA-N 440.450 4.009 5 20 IIBD CCCN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C1CCN(C(=O)OC(C)(C)C)CC1 769592428 OCWUMMSKSSPKBD-UHFFFAOYSA-N 430.505 4.328 5 20 IIBD CC(C)S(=O)(=O)c1cccc(C(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])c1 770009983 HVQBVFUQDRIZKK-OAQYLSRUSA-N 440.477 4.118 5 20 IIBD COc1ccc(-c2ccc(CN3CCOC[C@H]3C[C@@H](O)c3ccccc3)o2)c([N+](=O)[O-])c1 770353457 MALCXDCJTIARBU-WZONZLPQSA-N 438.480 4.188 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1 772462313 WOFGXKQTHOQLJW-UHFFFAOYSA-N 430.892 4.151 5 20 IIBD COc1ccc(-c2nc(COC(=O)c3sc(Br)cc3[N+](=O)[O-])co2)cc1 773614600 YQDHRAJBKKYZRF-UHFFFAOYSA-N 439.243 4.439 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@H](C)c3cn(C)c4ccccc34)CC2)ccc1[N+](=O)[O-] 774106825 QZDBWDGBWKYQPH-MRXNPFEDSA-N 437.496 4.411 5 20 IIBD CSc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)c1[N+](=O)[O-] 777080000 PQEINURNZOQGOP-QMMMGPOBSA-N 430.269 4.203 5 20 IIBD CC[C@H](C)Oc1cc(C(=O)OC2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)ccn1 777322772 DVAFYGHGYCXCIH-HNNXBMFYSA-N 429.473 4.002 5 20 IIBD CN(C)c1ccc([C@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])c2c[nH]c3ccccc23)cc1 779490701 DDZYEFMWYLSQFM-IBGZPJMESA-N 443.507 4.286 5 20 IIBD Cc1ccc(NC(=O)COc2cc([N+](=O)[O-])ccc2I)c(Cl)c1 780354178 OEVZLCAZQNZGDM-UHFFFAOYSA-N 446.628 4.179 5 20 IIBD Cc1c(C(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)nnn1-c1cccc([N+](=O)[O-])c1 784520711 KFTKVHUCQCNSBO-OAHLLOKOSA-N 445.401 4.132 5 20 IIBD O=[N+]([O-])c1cc2ccccc2nc1N1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 788835191 PSMGNLJJMQOWDR-UHFFFAOYSA-N 444.451 4.316 5 20 IIBD Cc1cc(Br)ccc1N(C)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F 798247766 VYFZZCAGEIRQNH-UHFFFAOYSA-N 437.674 4.283 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NCc1nnc(-c2ccc(Br)s2)o1 798390401 OFUGHYZLMKXVBC-UHFFFAOYSA-N 425.264 4.480 5 20 IIBD CS(=O)(=O)c1cc(COC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc(C(F)(F)F)c1 800978708 NLMNXVQQTBSALH-UHFFFAOYSA-N 437.779 4.028 5 20 IIBD COc1cc(C(=O)OC[C@@H](OC)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC(F)F 801206911 QLZHBSRZSGEMLD-MRXNPFEDSA-N 431.775 4.403 5 20 IIBD O=C(COC(=O)c1ccccc1Oc1ccncc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 801498905 FBMGMFLTPDSEHK-UHFFFAOYSA-N 427.800 4.231 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)c(SC(=O)N(C)C)c1 808117027 IXWQXIYECCTDMT-UHFFFAOYSA-N 447.897 4.270 5 20 IIBD COc1ccccc1[C@H]1CC[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 808869496 NGECFMUBVOXDBV-VGOFRKELSA-N 439.512 4.053 5 20 IIBD C[C@@H](OC(=O)COc1cccc([N+](=O)[O-])c1)c1ccc(S[C@@H]2CCCCNC2=O)cc1 809046330 DAYNFGBZIFTFKC-FOIQADDNSA-N 444.509 4.039 5 20 IIBD O=C1CCCN1Cc1cccc(-c2noc(-c3cc([N+](=O)[O-])ccc3N3CCCCC3)n2)c1 809407541 FCWQWZSIUNICHF-UHFFFAOYSA-N 447.495 4.425 5 20 IIBD CC(C)CC[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810360039 BVQZJAKPHMRMKZ-DOMZBBRYSA-N 426.311 4.017 5 20 IIBD CC(C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 810389175 APXOVLLCOBVUPU-CHWSQXEVSA-N 426.311 4.017 5 20 IIBD C[C@@](O)(C(=O)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)C1CCC1 812679618 MIDZVAVVFNHIBM-NQIIRXRSSA-N 432.860 4.022 5 20 IIBD CC[C@H]1[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCN1C(=O)OC(C)(C)C 812910582 KBAGHEDDHIKAJW-OCCSQVGLSA-N 429.420 4.170 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)OC[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)c1 813159594 OPZRXCIQKMBJHD-LBPRGKRZSA-N 446.472 4.366 5 20 IIBD O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)Oc1ccc(-c2noc(C3CC3)n2)cc1 815009279 CWANLZCFINJZTC-UHFFFAOYSA-N 439.808 4.082 5 20 IIBD Cc1cccc(C(=O)NC[C@H](Cc2ccccc2)N(C)C(=O)OC(C)(C)C)c1[N+](=O)[O-] 820515385 KDGSJISKXSDZDO-SFHVURJKSA-N 427.501 4.111 5 20 IIBD O=C(Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 836865229 VUXBSOQNEFYRGE-UHFFFAOYSA-N 438.318 4.123 5 20 IIBD COc1ccc(CSCC(=O)Oc2ccccc2C(=O)N2CCCCC2)cc1[N+](=O)[O-] 916860202 FZYYIGRVUZNUEF-UHFFFAOYSA-N 444.509 4.068 5 20 IIBD CCC(=O)N1CCC[C@@H](C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2OCc2ccccc2)C1 917610824 WDDCCBGDAHUOIK-MRXNPFEDSA-N 445.903 4.414 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@@H](c1ccc(Br)cc1)C1CCC1 917833677 LOVQDMLATPMCOD-HXUWFJFHSA-N 443.301 4.365 5 20 IIBD Cc1cc(C(=O)OCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)cc([N+](=O)[O-])c1 920901991 BVIVZWXYVKOSMT-UHFFFAOYSA-N 428.828 4.290 5 20 IIBD C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1N)c1cccc(OC(F)F)c1 1116948415 IPKRXACMPUAMRH-QMMMGPOBSA-N 430.205 4.032 5 20 IIBD O=C(Nc1ccccc1C(=O)NCCC1CCOCC1)c1ccc([N+](=O)[O-])cc1Cl 1318490998 MGYMZDWJGRCGLD-UHFFFAOYSA-N 431.876 4.047 5 20 IIBD CCOC(=O)c1ccn(-c2cccc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)n1 1318798018 VFSLWNKGAXDUGE-UHFFFAOYSA-N 448.357 4.228 5 20 IIBD Cc1nn(CCO)c(C)c1CNCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 1318919616 LREHPBUNNGPAQU-UHFFFAOYSA-N 448.882 4.275 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(-c3nnc(CNC(=O)c4cccs4)o3)cc2[N+](=O)[O-])C1 1328415493 TXSINEFXNGTZAS-OKILXGFUSA-N 441.513 4.119 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@]3(F)Cl)CCC2)cc1 1786208169 JRMPLHRKGYGAMS-KVWPREENSA-N 447.850 4.260 5 20 IIBD COc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccco4)cc3)CCC2)ccc1[N+](=O)[O-] 1787271971 VQOSVYKJXSVNGW-UHFFFAOYSA-N 435.436 4.258 5 20 IIBD CC(C)(C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1)c1ccccn1 1791762414 KDVQSJRBMNIFOW-UHFFFAOYSA-N 447.495 4.043 5 20 IIBD C[C@H](Cc1ccccc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1[N+](=O)[O-] 1804344609 JEDYJCPRZPURHZ-YRRCWQSASA-N 447.535 4.125 5 20 IIBD CC/C=C(\C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)n[nH]1 1821846552 ZGWPWIKNVFTMPO-CXPVQLEGSA-N 443.479 4.048 5 20 IIBD O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1 1822015139 RXMUYHZRJCPNFB-DLTWYDFYSA-N 441.488 4.043 5 20 IIBD CC(C)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1826339730 XDNDQFBMINBSGZ-JOCHJYFZSA-N 429.561 4.193 5 20 IIBD O=C(Nc1ccc(Cl)cc1)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 3608632 KRGNGIODUJCNAJ-UHFFFAOYSA-N 432.841 4.268 5 20 IIBD Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nnc1-c1ccc(Cl)cc1 9459169 HCXQLACDDMKSTA-UHFFFAOYSA-N 438.296 4.428 5 20 IIBD C[C@@H](Sc1nnc(-c2ccco2)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 10014419 FIUIUUDDVJNHKV-SECBINFHSA-N 441.391 4.121 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(COCC(F)(F)F)cc1 11483758 QILHHZWTJQOATF-CYBMUJFWSA-N 428.432 4.471 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 17281907 VFHGCXJIXKTLLL-UHFFFAOYSA-N 431.436 4.256 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 21834525 RTPYNUSWKGKGMX-ZDUSSCGKSA-N 444.538 4.160 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN3CCN(Cc4cccc5ccccc45)CC3)o2)cc1 26297772 HAENTUPBNXXGBF-UHFFFAOYSA-N 429.480 4.116 5 20 IIBD Cc1nc2c3ccccc3nc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)n2n1 45699300 KMXSZWADGLKEKK-JTQLQIEISA-N 442.888 4.267 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 60867464 IYMKRGXCFGNTAN-OAQYLSRUSA-N 447.470 4.443 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 97570460 GRLHFFPRTICDSV-UHFFFAOYSA-N 445.541 4.161 5 20 IIBD CCc1ccc([C@H](Nc2cc(C)c([N+](=O)[O-])cn2)c2cccc(S(C)(=O)=O)c2)cc1 301449880 SNWUJTABSBADKU-QFIPXVFZSA-N 425.510 4.466 5 20 IIBD O=C(Nc1ccc(Br)cc1F)[C@H](Nc1ncc([N+](=O)[O-])cn1)c1ccccc1 302150433 KAEQYIGZSKFGGN-MRXNPFEDSA-N 446.236 4.078 5 20 IIBD COc1ccc(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1Br 426297114 WYEALSJRZHMBPF-UHFFFAOYSA-N 434.290 4.240 5 20 IIBD O=C(O)[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1cc(F)cc(C(F)(F)F)c1 426731101 COMMRRVMFNOGHB-KRWDZBQOSA-N 425.338 4.020 5 20 IIBD COc1cccc(C[C@H](NCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C(=O)O)c1 426773361 JNQKWEITVYHPEG-NRFANRHFSA-N 435.480 4.157 5 20 IIBD C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1noc(-c2ccc(Cl)cc2)n1 430437080 JLMRYNFKIVBVCC-CYBMUJFWSA-N 441.875 4.389 5 20 IIBD CC(C)c1[nH]nc(C(=O)N[C@@H]2c3cc(Br)ccc3SC[C@H]2C)c1[N+](=O)[O-] 433772423 CRYOIRAXSCBOPE-OTYXRUKQSA-N 439.335 4.417 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 438655598 MRHZGKUPCGIVBV-UHFFFAOYSA-N 433.848 4.155 5 20 IIBD Cc1ccccc1[C@H](OC[C@H](O)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 438823608 ZDUZCSQAFKBNOV-ISKFKSNPSA-N 444.491 4.329 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(N[C@H](C)c2ccccc2)CCOCC1 439921918 ZYWGNBOMKIHIPM-QGZVFWFLSA-N 442.516 4.015 5 20 IIBD Cc1ccccc1[C@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@H](C)CO1 444184979 QJFAVUULNDKBHU-AUUYWEPGSA-N 448.317 4.066 5 20 IIBD C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccc(Br)s1 444276346 HFXKMUYQHXSZMZ-VIFPVBQESA-N 442.316 4.007 5 20 IIBD COC(=O)c1ccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c(OC)c1 444374326 ADGTVJNVELUKOC-GJZGRUSLSA-N 441.484 4.125 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(C(=O)NCc2ccccn2)c(Cl)c1 445811845 SUXNYVHCLPOHSE-UHFFFAOYSA-N 438.871 4.145 5 20 IIBD Cc1cc(N2CCCN(Cc3noc(C(C)(C)C)n3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] 461958408 MGWHJGYBKRLPFQ-UHFFFAOYSA-N 441.454 4.315 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(Br)c(C)cc2OC)cc1OC 462570395 HBOMMNZANJDLIF-UHFFFAOYSA-N 439.262 4.334 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 462630400 WHQOCFLZXPRBJC-QUCCMNQESA-N 449.507 4.331 5 20 IIBD C[C@H](CNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Oc1ccc(F)cc1 463944884 POOYDPZNAXBOIJ-LLVKDONJSA-N 432.395 4.429 5 20 IIBD COc1ccc(CSCC(=O)N2CC[C@@H](CSc3ccccc3)C2)cc1[N+](=O)[O-] 464347474 ZDVFAORJJUYWSI-QGZVFWFLSA-N 432.567 4.477 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3nc4cc(Cl)ccn4n3)cc2[N+](=O)[O-])C1 464650975 PKKDJFHVZWLSSQ-CHWSQXEVSA-N 428.880 4.026 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(=O)n(Cc2ccccc2Cl)c1 466297196 JHTBACLCQNNMAK-UHFFFAOYSA-N 432.263 4.042 5 20 IIBD Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)c(O[C@H](C)CC(C)C)c1 468229831 MDWFPHWPFLPVDW-MRXNPFEDSA-N 448.541 4.050 5 20 IIBD O=C1CCC(=O)N1c1ccc(C(=O)N2CCCCC[C@@H]2/C=C/c2ccccc2)cc1[N+](=O)[O-] 469576447 LNJGAUMHUVIIQB-ZAHGZRRWSA-N 447.491 4.346 5 20 IIBD CCCc1[nH]nc(C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)c1[N+](=O)[O-] 471691008 BSMJMWRPXDSRNW-UHFFFAOYSA-N 443.895 4.161 5 20 IIBD COc1ccc(CN2CCCC23CCN(C)CC3)cc1OCc1ccc([N+](=O)[O-])cc1 475110810 ASGLQQGEYMRGSB-UHFFFAOYSA-N 425.529 4.243 5 20 IIBD O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)c1c(Cl)cccc1[N+](=O)[O-] 476097877 UBBILHCKFPNDAD-CYBMUJFWSA-N 442.686 4.480 5 20 IIBD COc1cc(C(=O)N2CCC(OCc3ccccc3)CC2)c([N+](=O)[O-])cc1OC(F)F 477128963 WZJLKILAWGIXGR-UHFFFAOYSA-N 436.411 4.026 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1cc(F)ccc1OC[C@@H]1CCCO1 477485108 QKYAHMRYSJTWNY-INIZCTEOSA-N 437.855 4.309 5 20 IIBD Cn1cc(C(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 479295280 VRMHQWJLQGMEAC-IBGZPJMESA-N 444.850 4.002 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(N2C(=O)c3ccccc3C2=O)c1 479347295 LVTGAMNMVMDWDE-UHFFFAOYSA-N 449.850 4.021 5 20 IIBD CCn1c(SCC(=O)N(Cc2ccccc2)C(C)C)nnc1-c1ccc([N+](=O)[O-])cc1 481352003 YETRPIKVIPNTOF-UHFFFAOYSA-N 439.541 4.403 5 20 IIBD Cc1nc(-c2ccccc2NC(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cs1 483898462 SGIFAZNMYMPNEE-UHFFFAOYSA-N 438.509 4.104 5 20 IIBD CCc1ccccc1N1C[C@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)CC1=O 486131730 GMQCWCTURLEONK-QGZVFWFLSA-N 449.429 4.101 5 20 IIBD O=C(NC[C@H](Cc1cccc2ccccc12)C(=O)O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 486409342 PZSCZXBZBOQWMK-FQEVSTJZSA-N 447.491 4.022 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC(Nc2ccc(F)cc2)CC1 486471067 GSSGDJOZSFAUAW-UHFFFAOYSA-N 426.492 4.053 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CCNc1nc(-c2ccc([N+](=O)[O-])cc2)no1 486959149 WDLHZQUUPHFNFJ-UHFFFAOYSA-N 446.261 4.156 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-n2nc(C)cc2C)c1 488566915 JAQYCXRLFKJELX-UHFFFAOYSA-N 426.498 4.388 5 20 IIBD O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 489917225 WQKCDGUOBQSGTN-SFHVURJKSA-N 434.283 4.187 5 20 IIBD C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@@H]1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 495033780 YQPASALETMJFHB-HROJSSOGSA-N 436.556 4.425 5 20 IIBD Cn1ccnc1[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(F)cc1 496298965 ADQDDFBQFHWROR-GOSISDBHSA-N 437.456 4.110 5 20 IIBD COc1cccc(Oc2ncccc2CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1 498154622 UPKSYKISGZFLHW-UHFFFAOYSA-N 430.420 4.269 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc([C@H](C)Nc2ccc([N+](=O)[O-])c3ncccc23)cc1 499678585 BAIUEHBBNULYLG-HNNXBMFYSA-N 428.514 4.347 5 20 IIBD CCOc1cc(C(=O)N2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c([N+](=O)[O-])cc1OC 502148961 XKMRCLXKUNCRJN-CYBMUJFWSA-N 443.431 4.302 5 20 IIBD Cc1ccc(NC(=O)c2sc3[nH]c(Cc4ccc([N+](=O)[O-])cn4)nc(=O)c3c2C)c(C)c1 502814252 QYLDIVCSJXSIIQ-UHFFFAOYSA-N 449.492 4.056 5 20 IIBD CS(=O)(=O)[C@H]1CCCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 503097394 FZMTZEYELKAJEI-SFHVURJKSA-N 438.933 4.440 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC1(c2ccc(C(F)(F)F)cc2)CCCC1 504820725 ODKPXATZSMLVOY-UHFFFAOYSA-N 449.385 4.107 5 20 IIBD CCC1(C)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 504953414 JWOZYWYPAWDJJZ-UHFFFAOYSA-N 431.514 4.048 5 20 IIBD O=C(NCc1nc(CO)cs1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 505964232 MREYPUSFZPLPLJ-UHFFFAOYSA-N 435.914 4.278 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCC[C@@H]2C(=O)Nc3ccccc32)cc1[N+](=O)[O-])c1ccccn1 505997309 UIYAHTJZTYDNLZ-QAPCUYQASA-N 445.479 4.019 5 20 IIBD CN(C(=O)COc1c(Cl)cncc1[N+](=O)[O-])[C@H](c1ccccc1)c1ccc(F)cc1 506414609 CCOZXZBQCBVHJR-HXUWFJFHSA-N 429.835 4.409 5 20 IIBD O=[N+]([O-])c1ccc2nc(O)cc(-c3nc(Cc4cc(F)cc(Br)c4)no3)c2c1 508674555 ZNDTYICEORUMFZ-UHFFFAOYSA-N 445.204 4.391 5 20 IIBD Cn1c(C2CCC2)nnc1N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 508774823 WLROSKXFOXJOJT-UHFFFAOYSA-N 438.557 4.042 5 20 IIBD Cc1nnc(Sc2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)c(C)c2)s1 509553976 GDCVBPQHAJOOEF-UHFFFAOYSA-N 436.540 4.324 5 20 IIBD Cc1cccc(C)c1Oc1ccccc1NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 509732156 CJRVNVRJMCWWIO-UHFFFAOYSA-N 447.447 4.368 5 20 IIBD CCC[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 510042689 RDMRVJBCFSAIIF-FQEVSTJZSA-N 425.489 4.124 5 20 IIBD CC(C)(C)c1ccc2c(c1)CN(C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)CC2 510880517 NOMRGZAYZHBIKF-SFHVURJKSA-N 441.553 4.143 5 20 IIBD CCOc1cc(CN2CCC[C@H]3CCC[C@H]32)ccc1OCCn1c([N+](=O)[O-])cnc1C 511837501 HEMJBVYOEGNHKF-WOJBJXKFSA-N 428.533 4.342 5 20 IIBD CCc1nnc(NC(=O)[C@H](C)[C@H](C)NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)s1 513045434 DYBWDUCFFRBKMG-OLZOCXBDSA-N 445.570 4.490 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CN[C@]3(Cc4ccc(C(F)(F)F)cc4)CCOC3)n2)cc1 513195754 GZHWKIZXVDMRGV-FQEVSTJZSA-N 448.401 4.155 5 20 IIBD CCCc1nc(C(=O)N2CCCc3c2cccc3[N+](=O)[O-])nn1-c1ccccc1Cl 513832098 CVKUUDCAIAQPBH-UHFFFAOYSA-N 425.876 4.374 5 20 IIBD COc1ccccc1[C@H](CNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-])N1CCCCC1 515554880 GHTPAFYLEACZNC-QFIPXVFZSA-N 440.544 4.381 5 20 IIBD O=C1c2ccccc2C(=O)N1CCCCNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 517709974 VTUJRMCQBYNZPS-UHFFFAOYSA-N 435.505 4.489 5 20 IIBD C[C@@H](Cc1ccsc1)NC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 518315416 CUQDJBUPJLMKPN-HNNXBMFYSA-N 437.521 4.314 5 20 IIBD CCOc1c(Cl)cc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 520388849 IYVHGSZZSLXXPN-LLVKDONJSA-N 443.283 4.393 5 20 IIBD Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 522950081 IPVDIKMIMZZOEF-IBGZPJMESA-N 444.534 4.082 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 524229422 LBTJFXGOIBWHAF-UHFFFAOYSA-N 427.392 4.435 5 20 IIBD CCN(Cc1ccccc1)c1ccc(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 524574341 MBQNQGYMFNGNSZ-OAQYLSRUSA-N 445.523 4.343 5 20 IIBD Cc1cccc(COc2cccc(CC(=O)N3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)c2)c1 524578576 SRNXVTRKOCXFMK-OAQYLSRUSA-N 446.507 4.133 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1[N+](=O)[O-] 524639374 JKCFZCXFOSTXDV-HBGVWJBISA-N 440.521 4.091 5 20 IIBD O=c1onc(-c2ccc([N+](=O)[O-])cc2)n1Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 534428358 RYKQGIVTXAZXPH-UHFFFAOYSA-N 432.314 4.134 5 20 IIBD COc1ccc(CNC(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1[N+](=O)[O-] 534722183 YUGVCVQKEUPIRE-UHFFFAOYSA-N 446.916 4.422 5 20 IIBD Cc1c(CNC(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)cnn1C 534745393 KWWQBRJBBURSRE-GZTJUZNOSA-N 447.520 4.494 5 20 IIBD Cc1cccc(NC(=O)[C@@H](C)[S@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1C 534795418 AUKRSEWQDXNKRI-DHMKHTPVSA-N 427.482 4.143 5 20 IIBD COc1ccccc1[C@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1ccccn1 536304632 FYLDCATWZCSRKD-QFIPXVFZSA-N 443.463 4.164 5 20 IIBD C[C@H]1CN(CCC2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)C[C@@H](C)O1 537619993 MPMYKWHVYVXENV-HDICACEKSA-N 444.601 4.430 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(C)c3F)cc2)cc1[N+](=O)[O-] 538463603 AGRYEJLCRVVEHG-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(Cc2csc(C)n2)CC1 538547511 LCSAECSPWKOUPP-UHFFFAOYSA-N 434.587 4.210 5 20 IIBD Cc1c(CCC(=O)N(CC(C)C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cnn1C 539352911 SGZKAWLUUSISMD-UHFFFAOYSA-N 427.530 4.382 5 20 IIBD O=C(Nc1ccnc(OCC(F)(F)C(F)F)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 539426922 ZTLHLTPDBPSMQJ-UHFFFAOYSA-N 442.369 4.466 5 20 IIBD COc1ccc(NC(=O)NC2(c3noc([C@@H]4CCCO4)n3)CCCCCC2)cc1[N+](=O)[O-] 541102685 FEYRMHRIXIJJEY-KRWDZBQOSA-N 445.476 4.209 5 20 IIBD C[C@@H]1CCCN(c2ccc(C(=O)N(C)c3ncccc3Br)cc2[N+](=O)[O-])C1 541314615 IGPVDRIJZMDQRF-CYBMUJFWSA-N 433.306 4.265 5 20 IIBD O=[N+]([O-])c1c(N2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)ccc2ncccc12 542018071 IPUPIFSHSHUVJQ-WAIKUNEKSA-N 428.452 4.146 5 20 IIBD CC(C)(C)Oc1c(F)cc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)cc1F 542052441 SLTBAWLWDDZNPA-UHFFFAOYSA-N 435.427 4.139 5 20 IIBD Cc1cc(C(=O)NCC(=O)N[C@H](C)c2ccccc2OCc2ccccc2)ccc1[N+](=O)[O-] 542086221 USNAWISEZDBQKU-GOSISDBHSA-N 447.491 4.089 5 20 IIBD COc1c(NC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)cccc1C(N)=O 542944368 NLIWRPSWHKVFRR-UHFFFAOYSA-N 437.477 4.414 5 20 IIBD Cn1c(-c2nc(-c3ccccc3-c3ccc(CN4CCOCC4)cc3)no2)ccc1[N+](=O)[O-] 547083889 VTNXCUJWZDDHEJ-UHFFFAOYSA-N 445.479 4.150 5 20 IIBD CCS[C@@H](C)c1noc(-c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)n1 547196015 MOOSZSBSSYCJCG-LBPRGKRZSA-N 434.499 4.260 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N(Cc2ccccc2C(F)(F)F)CC2CC2)s1 553245037 HORVLNVSBZAZAO-UHFFFAOYSA-N 434.461 4.495 5 20 IIBD CC(C)(NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)c1ccccc1[N+](=O)[O-] 553715125 BQLIKMAQBHGNKN-UHFFFAOYSA-N 435.933 4.213 5 20 IIBD CCc1[nH]nc(C(=O)Nc2ccc(OC)c(OCc3ccc4ccccc4n3)c2)c1[N+](=O)[O-] 554006037 CNTSPGCLGYPICA-UHFFFAOYSA-N 447.451 4.268 5 20 IIBD CCc1cnc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCCO2)s1 555457710 MUTLSEHJWKOECA-QGZVFWFLSA-N 442.545 4.078 5 20 IIBD COc1ccc(-c2ccc(C)c(NC(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)c2)cn1 558851384 QJXHRHUBJPIVAS-UHFFFAOYSA-N 447.495 4.328 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(-c3ccc(Br)c(OC(F)(F)F)c3)n2)n1C 564005247 QYXRAMSUDOISLM-UHFFFAOYSA-N 448.155 4.015 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(-n2ncc(C(=O)O)c2C(F)(F)F)cc1 565850944 BRIVLYCEKWZYAB-UHFFFAOYSA-N 434.330 4.058 5 20 IIBD CC[C@]1(CNC(=O)c2sc(Br)cc2[N+](=O)[O-])OCCc2ccccc21 566710437 ZFLIGBZBKSWPAL-QGZVFWFLSA-N 425.304 4.027 5 20 IIBD Cc1cc(OCc2nc(-c3ccccc3I)no2)ccc1[N+](=O)[O-] 567427843 DZFLZPIKEOOUPJ-UHFFFAOYSA-N 437.193 4.137 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCCCCc2ccc(Cl)s2)ccc1[N+](=O)[O-] 574062283 CCCUZJIAEPWUOM-GOSISDBHSA-N 449.960 4.362 5 20 IIBD C[C@@H](Sc1nc(O)cc(C(F)F)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 576150914 NTZOHJVJAPVPIW-ZCFIWIBFSA-N 438.334 4.166 5 20 IIBD CS(=O)(=O)c1cc(-c2nc(C3(c4ccc(F)cc4F)CCCC3)no2)cc([N+](=O)[O-])c1 576789065 IUGKMJLCJVPCIA-UHFFFAOYSA-N 449.435 4.187 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(Cc3ccc4ccccc4c3)o2)c(Cl)c1 578832338 ZNJZZTTWNRALDR-UHFFFAOYSA-N 444.856 4.176 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)NC[C@H]2CCCC[C@@H]2C(F)(F)F)cc1[N+](=O)[O-] 585758777 ZOQDPGYZFLPNTM-OCCSQVGLSA-N 429.439 4.316 5 20 IIBD CCOc1ccc(C(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] 590518591 ULMJMVFEGADRCZ-UHFFFAOYSA-N 426.256 4.059 5 20 IIBD C[C@H](NC(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1cccc([N+](=O)[O-])c1 603907566 URZCPCRWFQUKAU-LBPRGKRZSA-N 429.527 4.219 5 20 IIBD CCCOc1ccc(CN(CCC)C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1OC 603941134 PFRXEPBOFOKHQH-UHFFFAOYSA-N 430.457 4.173 5 20 IIBD CCC(=O)N1CCCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 604012557 OXTGGHNMYHNASK-UHFFFAOYSA-N 427.526 4.139 5 20 IIBD COc1cc(CCNC(=O)CCOc2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OC 604070675 QMRWPGGWBLXLRD-UHFFFAOYSA-N 443.283 4.047 5 20 IIBD C[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1cccc([N+](=O)[O-])c1 604107958 BOOLTEQUANTPCE-CQSZACIVSA-N 443.456 4.026 5 20 IIBD CSc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cn1 608906924 DFLLZCWYHPQMEY-UHFFFAOYSA-N 436.493 4.261 5 20 IIBD C[C@@H](NC(=O)CSCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1 609770560 AVIDRVHUBXAQHF-CYBMUJFWSA-N 449.916 4.157 5 20 IIBD CC[C@@H](C(=O)OC)N(C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccccc1 609786700 DGKTZZXCRJMIAD-INIZCTEOSA-N 440.374 4.134 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl 609792700 RSFWKQPDDIDDJS-UHFFFAOYSA-N 430.867 4.411 5 20 IIBD O=C(c1ccc(Oc2ccncc2)c(Cl)c1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 609882470 VKKJWXQUUKPLBH-OAHLLOKOSA-N 439.859 4.157 5 20 IIBD CCCC(=O)Nc1nc2ccc(NC(=O)c3cc(OC)c(OC)c([N+](=O)[O-])c3)cc2s1 610171152 HLFKBSHOKMPYOD-UHFFFAOYSA-N 444.469 4.213 5 20 IIBD CC(C)CC(=O)N1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC1 611202075 DJFUBAMRCIMKDD-UHFFFAOYSA-N 433.574 4.396 5 20 IIBD Cn1ccnc1[C@@H](NC[C@H]1CCN(c2ccc(Cl)cc2)C1)c1cccc([N+](=O)[O-])c1 611560438 GTSGOBKIBCNWOE-IERDGZPVSA-N 425.920 4.187 5 20 IIBD Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1-c1nc(-c2c([N+](=O)[O-])ncn2C)no1 618417210 WJNWNLUACZBWJE-UHFFFAOYSA-N 436.375 4.496 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C 619482708 ONMFNDSRWNWCKD-AWEZNQCLSA-N 447.538 4.383 5 20 IIBD COc1cccc2c1OCC[C@H]2NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 681980293 VCXPONGEQYATBW-LJQANCHMSA-N 436.414 4.222 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(CC[C@@H](O)c2ccccc2)c1 727363246 RVEUYBHBYDREIV-OAQYLSRUSA-N 426.494 4.370 5 20 IIBD CC(C)n1ncc2cc(CN3CCN(c4ccc([N+](=O)[O-])cc4C(F)(F)F)CC3)cnc21 727438416 WGBDQBJZXIGFCL-UHFFFAOYSA-N 448.449 4.261 5 20 IIBD O=C(NCc1cc(Br)ccc1OC(F)F)c1cc(F)c(F)cc1[N+](=O)[O-] 727709588 WTKXLLUTTWBVDZ-UHFFFAOYSA-N 437.143 4.167 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])c1C 727950592 DZUHGBVVRSLTBA-UONOGXRCSA-N 443.308 4.127 5 20 IIBD O=C(NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 727957461 OFUUAAPEGWRCHE-VHSXEESVSA-N 449.699 4.164 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1ccc(OCC2CCCCC2)cc1 731621754 IEGHFBZGULSJAC-UHFFFAOYSA-N 442.468 4.393 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCc2ccc(Br)cc21 732804056 DIKOVBQDNVDFBU-UHFFFAOYSA-N 433.230 4.048 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccccc1C(=O)NCCc1ccccc1 735421643 LOUOYMJEEROYKS-UHFFFAOYSA-N 437.883 4.402 5 20 IIBD Cc1cc(C(=O)OCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])sc1-c1ccc(F)cc1 735897287 CEUQHLIOZLGWQP-UHFFFAOYSA-N 443.456 4.139 5 20 IIBD CC[C@H](C)[C@H]1CCCCN1C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 737588179 FSKSORIFFLEXJA-HRAATJIYSA-N 446.525 4.403 5 20 IIBD O=C(Nc1cc(F)ccc1SCC(F)F)c1cc([N+](=O)[O-])ccc1N1CCOCC1 737610265 BZIYRSGKVZLXPC-UHFFFAOYSA-N 441.431 4.180 5 20 IIBD O=C(Cc1csc(-c2ccoc2)n1)OCCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 739160173 KMSQYGLDWCNWPH-UHFFFAOYSA-N 442.371 4.495 5 20 IIBD COc1cc(N2CCC(OC(=O)c3ccc(NC(=O)C(C)C)cc3)CC2)ccc1[N+](=O)[O-] 739380359 MVNAXDRAPZZZSQ-UHFFFAOYSA-N 441.484 4.024 5 20 IIBD CCc1ccc([C@H](C)NC(=O)[C@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 740411123 XCMZLSGMEVKGBU-STQMWFEESA-N 449.301 4.342 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)NCCCCc3ccc([N+](=O)[O-])cc3)cc2)C[C@H](C)O1 740443288 DWRPGBOAMDEFFX-ROUUACIJSA-N 426.517 4.353 5 20 IIBD COc1ccc(-n2c(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)nc3ccccc32)cc1 741993002 WXAVVYQUJALZNK-UHFFFAOYSA-N 447.407 4.411 5 20 IIBD C[C@@H](NC(=O)N1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 743323368 PCLXCTJKOLUCHN-OXQOHEQNSA-N 446.548 4.477 5 20 IIBD Cc1ccc(CCN(Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)CC(F)(F)F)cc1 743371835 VOZZXLDMLZLGSA-UHFFFAOYSA-N 446.429 4.191 5 20 IIBD CC(=O)c1ccc(O)c(CCOC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 744842996 SLUVEDALWHXDEN-OAHLLOKOSA-N 449.463 4.471 5 20 IIBD Cc1cc(C)c(C(=O)[C@@H](C)OC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1C 745025830 ABBSNHOHEDLSML-WBVHZDCISA-N 444.509 4.001 5 20 IIBD CC(C)c1nn(C)c2sc(C(=O)OCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])cc12 745539073 ONEIKFQQWODJGF-UHFFFAOYSA-N 436.877 4.115 5 20 IIBD C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)c1nc2ccccc2s1 746667486 CVTQQQGBIWPUJX-VIFPVBQESA-N 442.316 4.007 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 747715099 BZWPNHOYKXOJSO-CQSZACIVSA-N 446.529 4.095 5 20 IIBD CCC[C@H](C)NC(=O)[C@H]1CCCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 747809004 SHWZDGOZYXPSPB-RYUDHWBXSA-N 432.399 4.043 5 20 IIBD CSc1nnc(CCCNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)n1C1CCCC1 749343158 JASAAAJMKQYSBN-UHFFFAOYSA-N 438.941 4.431 5 20 IIBD CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 750834340 INVCJCUDYCJORE-ZDUSSCGKSA-N 444.326 4.027 5 20 IIBD COc1cc(CN2CCC[C@@H]2C[C@H](O)c2cccs2)c([N+](=O)[O-])cc1OC(F)F 750837195 IRJRUCUOUFQNRR-HIFRSBDPSA-N 428.457 4.354 5 20 IIBD COC[C@H](C)n1c(SCC(=O)Oc2cccc([N+](=O)[O-])c2C)nnc1-c1ccccc1 751093131 LWXBPFANZUZCRA-AWEZNQCLSA-N 442.497 4.067 5 20 IIBD COc1cc(C=O)c(Br)cc1Oc1ncc([N+](=O)[O-])c(C)c1Br 754024712 IQQWNUNTABETGR-UHFFFAOYSA-N 446.051 4.437 5 20 IIBD CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)n[nH]1 754427395 SACFDARNSQMOJQ-JGVFFNPUSA-N 430.690 4.133 5 20 IIBD O=C(NCCc1ccc(C(F)(F)F)cc1)c1cc(F)cc([N+](=O)[O-])c1Br 754639456 HJWXTIAPPQNQIY-UHFFFAOYSA-N 435.171 4.488 5 20 IIBD Cc1c(C(=O)N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 754717778 YYABDBHXMLBYKG-LPHOPBHVSA-N 431.420 4.251 5 20 IIBD Cc1c(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cccc1-c1ccccn1 755015644 HPNXJTOTXIUOAL-UHFFFAOYSA-N 425.828 4.414 5 20 IIBD O=C(NC[C@@H](O)c1cccc(C(F)(F)F)c1)Nc1ccc(Br)c([N+](=O)[O-])c1 755024793 JMTMOSUDOCLROX-CQSZACIVSA-N 448.195 4.231 5 20 IIBD CCOC(=O)c1cc(C(=O)O[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)cc([N+](=O)[O-])c1 758923647 DHGVSLIEUUMFAO-AWEZNQCLSA-N 439.424 4.356 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)cc1SC 760734700 UJYIXWFIJJNARU-OAHLLOKOSA-N 445.324 4.486 5 20 IIBD CCc1ccc(-c2noc([C@@H](C)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)n2)cc1 761039625 QVACULNTFWVDOW-OAHLLOKOSA-N 435.484 4.298 5 20 IIBD C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 761505927 ITRBRAKIAXPEGU-HNNXBMFYSA-N 427.892 4.177 5 20 IIBD COc1ccc(Br)cc1-c1noc([C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 761753165 ISVHEIXYDHWMPP-INIZCTEOSA-N 445.229 4.282 5 20 IIBD O=[N+]([O-])c1c(Sc2nnc(-c3ccccc3F)n2Cc2ccco2)nc2ccccn12 765555461 WEPDDULYXCXPKC-UHFFFAOYSA-N 436.428 4.433 5 20 IIBD O=c1c([N+](=O)[O-])cn(-c2nc(C3CCCCC3)nc3sc4c(c23)CCC4)cc1[N+](=O)[O-] 765625945 LNELRMODMNGQHX-UHFFFAOYSA-N 441.469 4.195 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)O[C@@H](Cc2cccc(Cl)c2F)C(C)=O)cc1OC 768417834 AYYCJNLYQHYZQY-INIZCTEOSA-N 439.823 4.152 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c(Cl)c1 769621997 IYFMKFIXGUWWBG-UHFFFAOYSA-N 445.863 4.402 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(CNCc2ccc(Br)cc2N2CCOCC2)c1 769926818 CCMLAJADVNULED-UHFFFAOYSA-N 440.725 4.137 5 20 IIBD O=[N+]([O-])c1cccc(Br)c1OS(=O)(=O)c1ccc(C(F)(F)F)cc1 769927981 XMJAGTFWIRQSLS-UHFFFAOYSA-N 426.166 4.144 5 20 IIBD CCO[C@H](CNc1cc([N+](=O)[O-])c(OC)c(Br)c1[N+](=O)[O-])c1ccccc1 770166142 GSISSYNNQUEFML-CQSZACIVSA-N 440.250 4.464 5 20 IIBD CCC(CC)n1ccc(COC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)n1 771321302 FIEIZABIMJHVAH-UHFFFAOYSA-N 425.489 4.371 5 20 IIBD O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)c1cc([N+](=O)[O-])c2nsnc2c1 771521289 SWZMPKDYGSEPNX-KRWDZBQOSA-N 425.857 4.167 5 20 IIBD COCCCOc1ccc(Cl)cc1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1Cl 772313820 AMMVGEODQRBTCF-UHFFFAOYSA-N 436.269 4.085 5 20 IIBD O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1coc(-c2ccccc2Cl)n1 776514917 BOIDUKFWFZLHQI-UHFFFAOYSA-N 442.859 4.372 5 20 IIBD CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 778029307 VVOJVVPFQGICGT-UHFFFAOYSA-N 447.438 4.350 5 20 IIBD COc1cc(COC(=O)c2cncnc2-c2ccccc2)c([N+](=O)[O-])cc1OCC(F)F 780088162 NZCQBTIAHSXVIF-UHFFFAOYSA-N 445.378 4.061 5 20 IIBD COc1cc([C@H](C)NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1OC(C)C 781599027 QMLBYKPQUFSWHB-AWEZNQCLSA-N 431.445 4.109 5 20 IIBD CCOc1cc(N2CCC(OC(=O)C[C@H]3CCO[C@H](C(C)C)C3)CC2)ccc1[N+](=O)[O-] 781808526 PWJVYELFKZXWKY-UWJYYQICSA-N 434.533 4.347 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1[C@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)CC2 782503892 BQFVPHGCKQFOIZ-ZVZYQTTQSA-N 443.504 4.180 5 20 IIBD COc1ccccc1[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1C)NC(=O)OC(C)(C)C 782837977 WKVCCISYOPSDFI-SFHVURJKSA-N 444.488 4.299 5 20 IIBD COC(=O)COc1ccc(CN2CCCCC[C@H]2C[C@H](O)c2ccccc2)cc1[N+](=O)[O-] 789514196 PTKXVKNEPFHWHR-UNMCSNQZSA-N 442.512 4.015 5 20 IIBD CC(=O)Nc1cccc(Nc2nnc(SCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])s2)c1 789906696 ABOFMZFPODDEMC-UHFFFAOYSA-N 446.470 4.349 5 20 IIBD Cc1cc(NC(=O)Cc2sc(SC(F)F)nc2C)n(-c2ccc([N+](=O)[O-])cc2)n1 793359458 WJEIILSZODVXRZ-UHFFFAOYSA-N 439.469 4.350 5 20 IIBD CC(C)(C)OC(=O)N1CC=C(CCNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 794181933 NUAPXIZFQLJXAC-UHFFFAOYSA-N 443.422 4.301 5 20 IIBD O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)Oc1c(F)cccc1Cl 795905174 NMVPWICFYYEHIH-UHFFFAOYSA-N 428.594 4.057 5 20 IIBD C[C@@H]1C(=O)CC[C@@H]1CC(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 796232299 GJYKECHCWUBUNX-QDUSTFBWSA-N 444.871 4.477 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 799234576 FYFORCOBZKPCTP-CQSZACIVSA-N 436.509 4.151 5 20 IIBD CN(Cc1cccc(NS(=O)(=O)c2ccccc2)c1)Cc1ccc([N+](=O)[O-])c(F)c1 801514733 FZQIPRPVCVNVGQ-UHFFFAOYSA-N 429.473 4.167 5 20 IIBD C[C@@H](Cn1ccc2ccccc21)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 803795914 MYSWTWGKRUCXOZ-ZDUSSCGKSA-N 449.385 4.386 5 20 IIBD Cc1c(C(=O)N[C@@H](C)c2ccc(Br)cc2F)cc([N+](=O)[O-])cc1[N+](=O)[O-] 804893206 PEJFSRXXKFWFFR-VIFPVBQESA-N 426.198 4.204 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H](c2noc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)n2)C1 809365012 OCKQLAKBDZGITH-OAHLLOKOSA-N 443.504 4.360 5 20 IIBD Cc1cc(OCc2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)ccc1[N+](=O)[O-] 809426625 RCIPLZWRKIPZKN-UHFFFAOYSA-N 449.217 4.127 5 20 IIBD Cc1cnn([C@H]2CCN([C@H](C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc3)C2)c1 810119525 CBJPFFQJFUFMRB-RXVVDRJESA-N 439.903 4.380 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)OC[C@@H]1CCN(c2ccccc2F)C1 810916912 CUEVMBIBOGLOSG-GOSISDBHSA-N 430.479 4.364 5 20 IIBD C[C@H](OC(=O)c1cc(N(C)C)c2ccccc2n1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 811325613 BSAAHRVCCIYHLU-LBPRGKRZSA-N 442.859 4.046 5 20 IIBD CC(C)(C)OC(=O)NCCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1 812396146 LKTTXSSULFTJRZ-QGZVFWFLSA-N 429.473 4.076 5 20 IIBD CC(C)[C@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1nc(-c2ccncc2)no1 812961927 KRMWPRYCENLEBR-AWEZNQCLSA-N 436.255 4.474 5 20 IIBD C[C@@](O)(C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc(Cl)cc1 814815470 YWRUKIKNCONMSL-QFIPXVFZSA-N 440.839 4.314 5 20 IIBD COC(=O)c1ccc(-c2nc(COC(=O)c3cc([N+](=O)[O-])c(C)cc3Cl)co2)cc1 815406041 RYBXWMXSPFKVMN-UHFFFAOYSA-N 430.800 4.355 5 20 IIBD CCc1nc2ccccc2n1[C@H]1CCCN(C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])C1 819474797 BGTXDOQFGKFMMO-SFHVURJKSA-N 436.512 4.448 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C 842126122 GSMSYSZYQOUYTA-UHFFFAOYSA-N 438.465 4.279 5 20 IIBD CCc1ccc([C@H](C)NC(=O)[C@H](C)OC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 856620584 OXTBAKXPDSFHRR-JYJNAYRXSA-N 430.526 4.447 5 20 IIBD COc1cc(COC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc(Cl)c1OC(F)F 892085561 OOIMAIKXOHTYPE-UHFFFAOYSA-N 446.746 4.432 5 20 IIBD CC1=C(C(=O)N(C)C)[C@H](c2ccc(C)c([N+](=O)[O-])c2)NC(=S)N1c1cc(C)ccc1C 916169242 XHMCNXYVRLLKEQ-NRFANRHFSA-N 438.553 4.318 5 20 IIBD COc1cc(-c2noc(CCC(=O)Oc3cccc([N+](=O)[O-])c3C)n2)cc(Cl)c1OC 918168405 YCWFPMGXQRAGDB-UHFFFAOYSA-N 447.831 4.162 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)c1cc(-c2ccccc2)no1)c1cccc([N+](=O)[O-])c1 918632862 LLCKXHMTOATPNZ-LJQANCHMSA-N 449.463 4.492 5 20 IIBD O=C(COC(=O)CSc1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccccc1)C1CCCC1 919038299 LZAFLFXVBCHRPH-QFIPXVFZSA-N 428.510 4.278 5 20 IIBD Cn1cc(C(=O)OCc2nc3ccccc3n2C(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 920117594 RZXPFAQJQANNBV-UHFFFAOYSA-N 427.367 4.097 5 20 IIBD C[C@@H](OC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1cccc([N+](=O)[O-])c1 920158730 PEFSHEHOXHDJIW-CQSZACIVSA-N 444.440 4.453 5 20 IIBD C[C@H](OC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1ccccc1[N+](=O)[O-] 920267858 KXDBJGFIXDYMRY-INIZCTEOSA-N 429.432 4.271 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O[C@@H](C)C(=O)c1ccc(OC(F)F)cc1 920778478 SIZGARYDQRWEHQ-QWRGUYRKSA-N 443.786 4.432 5 20 IIBD CCOc1ccc(N2C(=O)/C(=C/NCc3cccc([N+](=O)[O-])c3)c3ccccc3C2=O)cc1 921295492 OZDAAGCTZWKXAH-XQNSMLJCSA-N 443.459 4.311 5 20 IIBD Nc1ccc(-c2nnc(-c3nc(-c4ccccc4)n(-c4ccccc4)n3)o2)cc1[N+](=O)[O-] 1117192731 JXCHSAUPPBTKFV-UHFFFAOYSA-N 425.408 4.142 5 20 IIBD COc1cccc([C@@H]2[C@@H](c3nc(-c4cc(C)c([N+](=O)[O-])cc4C)no3)CC(=O)N2C2CC2)c1 1339199835 XJNZMXFTHMBJNT-SIKLNZKXSA-N 448.479 4.490 5 20 IIBD O=C(CCc1ccco1)Nc1ccc(C2(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)CCC2)cc1 1786902830 BLEYLDZMRVCILQ-UHFFFAOYSA-N 449.463 4.274 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])cc4F)CCC3)cc2)nc1 1787480904 QLAZHFUEUQKXCG-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)NC1(c2ccc(NC(=O)[C@H]3CC3(F)F)cc2)CCC1 1789136043 UJNDZRMAIPXLCK-QGZVFWFLSA-N 447.413 4.066 5 20 IIBD Cc1ccccc1CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C2 1801770544 FMPGZIJHYQYLQU-SXXPHYJWSA-N 447.535 4.187 5 20 IIBD CC(C)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc([N+](=O)[O-])ccc2F)CC1 1824949216 KJWZPBMOGJEDFP-QFIPXVFZSA-N 447.551 4.332 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC(C)C)CC1 1826343588 RJQKUQKESXXGOH-FQEVSTJZSA-N 433.524 4.322 5 20 IIBD O=C([C@@H]1CC=CCC1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830616706 LTMWUJQAZZJXJK-NQIIRXRSSA-N 443.519 4.324 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC2(CCCN2C(=O)c2cccc3ccccc23)C1 1843623856 CDUIIQDCDIEEEM-UHFFFAOYSA-N 433.439 4.018 5 20 IIBD O=C(CSc1nc(C2CC2)nn1-c1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl 10080792 KJVNFHGSHVWPNI-UHFFFAOYSA-N 429.889 4.437 5 20 IIBD O=C(NCCc1ccc(-n2cccn2)cc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 10117783 BIWDLECMKOORDM-UHFFFAOYSA-N 441.491 4.365 5 20 IIBD C[C@@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)NCc1ccccc1Cl 10723332 LTQYJNODSJKVIZ-MRXNPFEDSA-N 448.906 4.056 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)Nc2cc(F)cc(F)c2)cc1 16305339 PZJGORVTMUKEGR-UHFFFAOYSA-N 448.403 4.201 5 20 IIBD CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COC(=O)CSc1ccc([N+](=O)[O-])cc1 18357686 AUNQQKDVWHTWFX-UHFFFAOYSA-N 443.308 4.196 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccc(SC(F)(F)F)cc1 18656331 LXMYRLPBXUACMH-SNVBAGLBSA-N 444.387 4.399 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1 19284865 HKLARRABJNIPLI-INIZCTEOSA-N 434.448 4.055 5 20 IIBD CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 22175459 CWMSVVGNJJHDBF-HNNXBMFYSA-N 425.514 4.225 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] 22804800 PNGMVRWJDWMFNO-UHFFFAOYSA-N 441.849 4.123 5 20 IIBD O=C(CSc1ncc(C(F)(F)F)cc1Cl)Nc1cc2c(cc1[N+](=O)[O-])OCO2 26433489 RKFRLKYNELGJPQ-UHFFFAOYSA-N 435.767 4.122 5 20 IIBD Cc1ccnc(-n2c(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc3ccccc3c2=O)c1 29072438 ARYBJLOSPKUSJY-UHFFFAOYSA-N 435.421 4.057 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 45824108 PYFXAUWXSXMNRN-KBXCAEBGSA-N 444.513 4.015 5 20 IIBD CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc([N+](=O)[O-])ccc1OC 57859866 ZWXDPYYHPYREJH-UHFFFAOYSA-N 426.256 4.011 5 20 IIBD O=C(NCCCOC1CCCC1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 61258094 AQZCUCBGXCWPNY-UHFFFAOYSA-N 443.466 4.296 5 20 IIBD Cc1c(C(=O)NC[C@@H](C)c2c(Cl)cccc2Cl)nnn1-c1cccc([N+](=O)[O-])c1 72077836 LNUIFPNOPVOPJQ-LLVKDONJSA-N 434.283 4.324 5 20 IIBD C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 111131244 CJTBULVSFGNLNE-SFHVURJKSA-N 446.507 4.101 5 20 IIBD O=C(c1ccccc1F)N1CCC(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 237802256 OCRNOFRUDPUSEE-UHFFFAOYSA-N 440.500 4.252 5 20 IIBD O=[N+]([O-])c1ccc2c(c1N1CCC[C@H](c3nnc4ccc(C(F)(F)F)cn34)C1)CCN2 302828057 IHFRJTAQYLVBHO-LBPRGKRZSA-N 432.406 4.008 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CN3CCCC[C@@H]3c3nc(-c4ccccc4)no3)n2)c1 303154191 NJLSFJBAJYYDDT-GOSISDBHSA-N 432.440 4.422 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC(COc2ccccc2)CC1 410126813 FGUBOBZINZKJLR-UHFFFAOYSA-N 426.516 4.472 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)cc([N+](=O)[O-])c1 410428548 YWAHXTAKMSCPJZ-UHFFFAOYSA-N 432.738 4.228 5 20 IIBD Cc1cc(Br)cc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1OC(F)F 425965061 SDXYNPHDDMCUMH-UHFFFAOYSA-N 445.264 4.301 5 20 IIBD O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 427896616 QZIYHBYUNKDTEI-YADHBBJMSA-N 442.519 4.251 5 20 IIBD O=C(NCCC1CC(O)C1)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 433389229 OFUKYWZIIXYGRJ-UHFFFAOYSA-N 437.855 4.140 5 20 IIBD COc1cc(NC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])ccc1Cl 433610227 OPBFPWZSUWHMBR-INIZCTEOSA-N 435.864 4.461 5 20 IIBD O=C(c1ccc(Cl)cc1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)N1CCCCC1 433726960 FEAZXSUGDNHPIT-LJQANCHMSA-N 442.903 4.092 5 20 IIBD CN(C)CCOc1ccc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc1 436061202 GUVBRZKJLSKPCF-UHFFFAOYSA-N 437.446 4.152 5 20 IIBD CC(C)(C)c1cc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n(-c2ncccn2)n1 437360204 SJCVGGUUZQEOSY-UHFFFAOYSA-N 434.378 4.139 5 20 IIBD CC(C)c1ncc(CN(C)C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cn1 441382171 JWTDDWNWWHPUBJ-MRXNPFEDSA-N 434.500 4.349 5 20 IIBD CCN(c1ccc(Cl)cc1F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 442215248 OKWKPFFLFDROLY-UHFFFAOYSA-N 437.674 4.365 5 20 IIBD COC(=O)[C@H](CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])c1ccccc1 442720515 JFPTURIQOLBAKE-GOSISDBHSA-N 436.489 4.433 5 20 IIBD CC(C)[C@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)N1CCc2ccccc2C1 444860978 SFBDFYKMCCIRPH-VWLOTQADSA-N 439.559 4.494 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1nc([C@@H]2COc3ccccc3O2)no1 445479301 GZSMKBMBQNAJNY-INIZCTEOSA-N 436.346 4.164 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])c1oc2ccccc2c1CSc1ncccn1 460498984 JBTPKVZUEXVLFD-UHFFFAOYSA-N 434.477 4.396 5 20 IIBD CC(C)N(Cc1ccc(F)cc1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 461584227 GSERWIUWXHUKEI-SFHVURJKSA-N 439.491 4.444 5 20 IIBD Cc1cc(Sc2nnc(C3CCNCC3)n2C2CC2)c(C(F)(F)F)cc1[N+](=O)[O-] 461949008 UFJFVBDBQOMGIC-UHFFFAOYSA-N 427.452 4.467 5 20 IIBD CN(CC1CCN(c2ccncc2)CC1)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 462693267 UCHMSTROBLNLKU-UHFFFAOYSA-N 433.512 4.317 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC2(CCN(C)CC2)Oc2ccccc21 462904114 SMNVRJAYJSJVBL-UGKGYDQZSA-N 437.540 4.268 5 20 IIBD CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)O[C@@H](C)C2 466216353 MWEMXUBRTNDXMF-UVIMBBFXSA-N 445.903 4.326 5 20 IIBD CC(C)N1CC[C@H](NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1=O 466430811 KYOUPFHXRUYMDW-INIZCTEOSA-N 433.917 4.139 5 20 IIBD NC(=O)NC[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 467122672 POWQDUHTXDVJLM-HNNXBMFYSA-N 448.932 4.062 5 20 IIBD CC(C)COc1ccc(NC(=O)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1Cl 467851060 MCAVUFMTXZMIDQ-UHFFFAOYSA-N 440.283 4.191 5 20 IIBD CC(C)c1[nH]nc(C(=O)N2CCc3c(Br)ccc(Cl)c3C2)c1[N+](=O)[O-] 468612612 ZIJSFDUKCSTBBE-UHFFFAOYSA-N 427.686 4.056 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@@H](c1ccccc1)c1cc2ccccc2o1 472558525 WORAJOGVWAUMHR-NRFANRHFSA-N 433.395 4.324 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 473347431 SUJRHQMYWYPCBY-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3c[nH]cc3-c3ccc(C)s3)CC2)ccc1[N+](=O)[O-] 477375693 HCCMKDFPLAQRMM-UHFFFAOYSA-N 440.525 4.321 5 20 IIBD CC[C@H](C)n1ncc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1C1CC1 477567997 JQELZNCJLZIEGP-LBPRGKRZSA-N 441.517 4.172 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 478212634 XKXPBTXFOWHSMU-VQTJNVASSA-N 434.442 4.428 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)c1[N+](=O)[O-] 480250513 RHHLFJZKKNDKEO-UHFFFAOYSA-N 445.541 4.417 5 20 IIBD COc1ccccc1-c1nc(C2CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)CC2)no1 481189463 IWSCBSXHUKBFEV-UHFFFAOYSA-N 447.451 4.155 5 20 IIBD CNC(=O)c1cc(Oc2cc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc2C)ccn1 481198250 ZUQNCODXONVGNW-UHFFFAOYSA-N 440.843 4.356 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 482913071 UJIVZFUKGHPPBQ-CQSZACIVSA-N 430.766 4.301 5 20 IIBD C[C@H]1CCSCCN1C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 482952706 ZWZXCQAPQOZLFL-KRWDZBQOSA-N 436.537 4.344 5 20 IIBD COC(=O)c1cc(NC(=O)Nc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)c(C)c([N+](=O)[O-])c1 483551141 RKYSCMSLAIRWLG-WOJBJXKFSA-N 443.456 4.016 5 20 IIBD Cc1ccnc(-n2nccc2NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1 484923407 DIXOYIPPNYSHPJ-CALCHBBNSA-N 434.500 4.219 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CCCN(Cc2cccs2)C1 486382475 ZRIJTLOZOQSSRD-OAHLLOKOSA-N 436.965 4.064 5 20 IIBD CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C)nn1-c1ccc([N+](=O)[O-])cc1 486499023 BTYZGZOYISILRS-UHFFFAOYSA-N 446.467 4.316 5 20 IIBD CS(=O)(=O)c1cccc(N[C@@H]2CSc3ccc(Br)cc32)c1[N+](=O)[O-] 486511899 XHCYJEHQKULYHA-GFCCVEGCSA-N 429.317 4.020 5 20 IIBD C[C@H](Sc1nnc(Cc2c(F)cccc2Cl)o1)C(=O)Nc1cccc([N+](=O)[O-])c1 488816971 OFKOMYTZULSSML-JTQLQIEISA-N 436.852 4.480 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCOC4(CCOCC4)C3)cc2[N+](=O)[O-])cc1 488945355 NMJHNTGQEYBPJV-UHFFFAOYSA-N 428.510 4.076 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)cc1[N+](=O)[O-] 490898987 BPYNMQMWQOQJBC-GOSISDBHSA-N 445.541 4.247 5 20 IIBD COc1cc(C(=O)Nc2cnn([C@@H](C)C3CC3)c2)c([N+](=O)[O-])cc1OCc1cscn1 491100741 HPARSCPWXAMUDS-LBPRGKRZSA-N 443.485 4.059 5 20 IIBD CCOC(=O)[C@@H]1CCCc2sc(NC(=O)[C@H](CC)Cc3ccc([N+](=O)[O-])cc3)nc21 493859850 DEVLYMKBGZOWGL-GDBMZVCRSA-N 431.514 4.242 5 20 IIBD CN1CCc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)cc2C1=O 495366084 UNLJZEKWGFTFSA-UHFFFAOYSA-N 430.464 4.087 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cccc(C(=O)Nc2ccccc2)c1C 498646130 LPBAOGPLBZVTKG-UHFFFAOYSA-N 434.452 4.215 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3nnc(-c4ccccn4)s3)cc2[N+](=O)[O-])C1 502873500 BEBPIRQZPIEZFI-KBPBESRZSA-N 438.513 4.243 5 20 IIBD CC1CCC(Oc2cc(CNC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)ccn2)CC1 505537682 DIFDKPGQWUYODZ-UHFFFAOYSA-N 449.511 4.278 5 20 IIBD CCn1c2ccccc2c2cc(NC(=O)C(=O)N(C)CCc3ccccc3[N+](=O)[O-])ccc21 506684622 ZKLUTKPWOQMMDD-UHFFFAOYSA-N 444.491 4.362 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N(C)CCCc2cc(-c3ccccc3)no2)c([N+](=O)[O-])c1 507184228 UGHFDLXIFNOXQV-MRXNPFEDSA-N 438.484 4.150 5 20 IIBD C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(-n2cccn2)c(F)c1 508805064 XEJJYDJDAMMDFZ-NSHDSACASA-N 433.237 4.173 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1[N+](=O)[O-] 509035583 DBDIMHKUICFRMI-UHFFFAOYSA-N 441.366 4.285 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)c1ccc2ccccc2n1 509452231 WOPAJZRUIPHEDN-UHFFFAOYSA-N 447.232 4.333 5 20 IIBD COc1cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1[N+](=O)[O-] 511547038 LWIJVYVORRIODZ-UHFFFAOYSA-N 431.492 4.151 5 20 IIBD C[C@@H]1C[C@@H](N2CCCC2)CN1[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 512153881 VWPBHGVCIYGXJJ-PERKRYKHSA-N 442.947 4.487 5 20 IIBD CCc1nnc(NC(=O)[C@H](C)[C@H](C)NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)s1 513040004 FGKRABXCGBVCSZ-OLZOCXBDSA-N 445.570 4.490 5 20 IIBD COc1cc(Cl)c(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC 513808733 XPGNCGHZCAUGJQ-UHFFFAOYSA-N 447.797 4.126 5 20 IIBD O=C([C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)N1CCCc2c1cccc2[N+](=O)[O-] 513840500 CQTRZWIQWJOEKS-LJQANCHMSA-N 448.306 4.486 5 20 IIBD Cn1cc(C(=O)N2CCC(Oc3ccccc3Cl)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 513876612 PFEPABRFAAQYKT-UHFFFAOYSA-N 440.887 4.332 5 20 IIBD O=C(NCc1cccc(NC(=O)C2CCCCC2)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 520003207 ZRYOIEXNXRHRAQ-UHFFFAOYSA-N 447.495 4.229 5 20 IIBD COC(=O)[C@H](C)CNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 522437803 TZAQLYLAKQSHIZ-DSQDWWTGSA-N 439.493 4.061 5 20 IIBD C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 523156586 GISJWMRHRTZAOI-AWEZNQCLSA-N 445.907 4.387 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)N(CCCO)Cc1ccc(Cl)c(Cl)c1 524179201 HZWOUEFEVOVWKN-UHFFFAOYSA-N 426.300 4.038 5 20 IIBD C[C@H]1CN(Cc2ccc(C(=O)N3CCS[C@@H]3c3ccc([N+](=O)[O-])cc3)cc2)C[C@@H](C)O1 525618472 SBUOHTPUNPGVLH-SAHWJRBASA-N 441.553 4.092 5 20 IIBD CN(Cc1cc2ccccc2o1)C(=O)c1cc(I)cc([N+](=O)[O-])c1 535023366 RBPOJJHWYNHQRJ-UHFFFAOYSA-N 436.205 4.218 5 20 IIBD Cc1cnc(OCc2coc(-c3ccc(I)cc3)n2)c([N+](=O)[O-])c1 535255910 YBTYRTSQCSCPIP-UHFFFAOYSA-N 437.193 4.137 5 20 IIBD CSC[C@H](CCO)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 535631965 NWUYFWYQAFVXKP-ZDUSSCGKSA-N 426.947 4.243 5 20 IIBD CCCCOc1ccc([C@@H](C)NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1OC 540369862 FJKFPBRRHXLNOF-MRXNPFEDSA-N 427.501 4.022 5 20 IIBD O=C(Nc1c(F)cc(Cl)cc1F)c1cc(I)cc([N+](=O)[O-])c1 540449171 OTGMODMOUUPOBT-UHFFFAOYSA-N 438.555 4.383 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2nc3ccccc3n2CCc2ccccn2)c1 540627653 FOSLPDDBGUGQEE-UHFFFAOYSA-N 445.479 4.298 5 20 IIBD CCc1ccc2c(c1)[C@H](CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N2 541423352 RKHRLVJGHSEQRD-AWEZNQCLSA-N 433.917 4.145 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cccc(NC(=O)c3cccs3)c2)c1 544639357 DKKMOPUGXMYYEE-UHFFFAOYSA-N 431.495 4.326 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(-c3nc(-c4ccc(C(=O)N(C)C)cc4)no3)cc2[N+](=O)[O-])C1 545044780 PHYGOVJSRZRAEZ-HOTGVXAUSA-N 449.511 4.496 5 20 IIBD CCC(C)(C)C1CCC2(CC1)NC(=O)N(Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)C2=O 545523188 DQWUSZJMZXEZQL-UHFFFAOYSA-N 441.488 4.062 5 20 IIBD COc1cc(N[C@H]2CCCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)C2)cc(OC)c1 545855496 HYJVCNBGKRHCDU-HNNXBMFYSA-N 445.491 4.132 5 20 IIBD CCC[C@H](NC(=O)c1ccccc1)c1noc(-c2cc(O)nc3ccc([N+](=O)[O-])cc23)n1 547193021 XYPWQZFDURBLNI-SFHVURJKSA-N 433.424 4.170 5 20 IIBD Cc1cccc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c1C(=O)N1CCCC1 550220719 UDIHQJULAHPJPJ-UHFFFAOYSA-N 446.301 4.462 5 20 IIBD CCCOc1ccc(Oc2ncccc2CNc2nc(O)c3cc([N+](=O)[O-])ccc3n2)cc1 552957854 OZFAEUFDGYEXDO-UHFFFAOYSA-N 447.451 4.832 5 20 IIBD CC(C)c1nc(C2CCN(C(=O)c3ccc(N4CCC[C@@H](C)C4)c([N+](=O)[O-])c3)CC2)no1 557048360 XQKYHJCUJNCZGD-MRXNPFEDSA-N 441.532 4.357 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c1 558802777 IACSQYQEYQBPDY-VLIAUNLRSA-N 435.883 4.209 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCc1cccc(NC(=O)C2CCCCC2)c1 565708866 RVDUINUEXNSPRH-UHFFFAOYSA-N 438.528 4.498 5 20 IIBD O=C(NCCCN1CCCCC1)C1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 568308854 XJLWEBQCAGBEAQ-UHFFFAOYSA-N 443.375 4.110 5 20 IIBD Cc1ccc(C)c(SCc2noc(-c3ccc(N4C(=O)CCC4=O)c([N+](=O)[O-])c3)n2)c1 571203197 ZAYKKCZRJNMXQR-UHFFFAOYSA-N 438.465 4.207 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1Sc1nc2ccccc2c(=O)n1Cc1ccc(C)cc1 573129519 LOWMBSFTBMWFMC-UHFFFAOYSA-N 435.509 4.337 5 20 IIBD Cc1ccc(NC(=O)N(CC(=O)O)[C@H](C)c2cccc(Br)c2)cc1[N+](=O)[O-] 577930897 XGYAOOVEJZGWOX-GFCCVEGCSA-N 436.262 4.345 5 20 IIBD COc1cc(C(=O)N(C)[C@@H](C)Cc2ccccc2C(F)(F)F)c([N+](=O)[O-])cc1OC 578987028 NZPCRDWHJCDJKZ-LBPRGKRZSA-N 426.391 4.334 5 20 IIBD O=C(c1cccs1)N1CCCC[C@H]1c1nc(CCNc2ccccc2[N+](=O)[O-])no1 579525940 VXLVQCZEZTZJIF-INIZCTEOSA-N 427.486 4.061 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2c2nc(-c3cccc4ncccc34)no2)ccc1[N+](=O)[O-] 589153275 DNQXBZBRQXMDHJ-FQEVSTJZSA-N 429.436 4.479 5 20 IIBD CC(=O)Nc1c(C)ccc(NCc2cc(I)cc([N+](=O)[O-])c2)c1C 589310703 LLBCGHPZWHWVJL-UHFFFAOYSA-N 439.253 4.387 5 20 IIBD COc1ccc(-c2nnc(SCc3nc(-c4cccc([N+](=O)[O-])c4)no3)o2)cc1OC 603562610 XNTMCAARQDQOAY-UHFFFAOYSA-N 441.425 4.004 5 20 IIBD O=C(c1cc(F)ccc1F)C1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 603943938 PXTBYBLODYRIJL-UHFFFAOYSA-N 443.450 4.208 5 20 IIBD COc1ccc(CNC(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)cc1[N+](=O)[O-] 604088531 XKWURQISPSMJSB-UHFFFAOYSA-N 434.452 4.486 5 20 IIBD COc1ccc(Br)cc1C(=O)CCC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 604108141 KCHAQBWZTHSAHP-GFCCVEGCSA-N 435.274 4.206 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(Cc1ccccc1)Cc1ccc(F)cc1 608879608 ZHDVHXPVWQYPAE-KRWDZBQOSA-N 435.455 4.081 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NC[C@@H]1OCCc2ccccc21 609586386 AMSGIRFTBXLEBJ-QFIPXVFZSA-N 439.493 4.122 5 20 IIBD Cc1nn(CCC(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)c(C)c1[N+](=O)[O-] 609645411 IEJGUANRDNHIFV-UHFFFAOYSA-N 441.875 4.343 5 20 IIBD CC[C@H](Cc1ccc(Cl)cc1)NC(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] 609710175 WZVKYEUWFFPHIV-QGZVFWFLSA-N 435.908 4.128 5 20 IIBD O=C(N[C@@H](COc1ccccc1)c1ccccc1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609762498 WZJHZQVGGYBVQP-QFIPXVFZSA-N 429.432 4.399 5 20 IIBD O=C(c1ccc(I)cc1Cl)N1CCc2c1cccc2[N+](=O)[O-] 609973800 KTOBHLIOUSTMFY-UHFFFAOYSA-N 428.613 4.056 5 20 IIBD COc1ccc(-c2nc(NC(=O)c3cc(OC)c(OC)c([N+](=O)[O-])c3)sc2C)cc1 610167932 DFSHCVKAFGXMOA-UHFFFAOYSA-N 429.454 4.305 5 20 IIBD Cc1cc(-n2cccn2)ccc1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 616105993 LVNHNSVGIWNNSD-UHFFFAOYSA-N 430.468 4.203 5 20 IIBD COc1cc(Cc2noc(COc3cc(Cl)ccc3Cl)n2)c([N+](=O)[O-])c(OC)c1 618439421 UBLPDCUASGIZQD-UHFFFAOYSA-N 440.239 4.472 5 20 IIBD COc1cc2c(cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC)oc1ccccc12 619466324 NWEPPMZLICVLPL-UHFFFAOYSA-N 428.422 4.312 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H](C)Sc2ccc(Cl)cc21 619507407 OFWJEPQQAAVOBS-LLVKDONJSA-N 428.919 4.336 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCO[C@H](c2ccccc2Br)C1 725809067 MPSOBDQJROLCCX-IBGZPJMESA-N 448.317 4.068 5 20 IIBD O=C(Nc1ccccc1)c1ccccc1OS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] 725815544 HFGHXSXFJWCMMD-UHFFFAOYSA-N 432.841 4.268 5 20 IIBD Cc1ccc(C(=O)CCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cc1 727398090 CDBCDPXWFRPOBR-UHFFFAOYSA-N 449.429 4.234 5 20 IIBD COc1ccc(CC(=O)OCc2nnc(-c3c(Cl)cccc3Cl)o2)cc1[N+](=O)[O-] 727884476 WSPRZNGZDDOUQX-UHFFFAOYSA-N 438.223 4.246 5 20 IIBD COc1ccc(-n2nnc(C(=O)N(CC3CC3)c3ccc(Cl)c([N+](=O)[O-])c3)c2C)cc1 728165672 OTFDGOGPDXGVMX-UHFFFAOYSA-N 441.875 4.203 5 20 IIBD C[C@H](OC(=O)C[C@H](c1ccccc1)C(F)(F)F)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 728652389 IZZCHIHIQDMHRO-SMDDNHRTSA-N 428.338 4.340 5 20 IIBD Cc1ccsc1C(=O)Nc1ccc(OC(=O)COc2ccc([N+](=O)[O-])c(F)c2)cc1 729215569 ANKNVQGHQHTRLS-UHFFFAOYSA-N 430.413 4.341 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2cccc(C(=O)OCc3ccccc3)c2)cc1[N+](=O)[O-] 729964568 FUXZAWRBVKDSKP-UHFFFAOYSA-N 435.392 4.421 5 20 IIBD O=C(Oc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(S(=O)(=O)Cc2ccccc2)c1 730923414 KTQGRZYMKKVQQL-UHFFFAOYSA-N 431.853 4.441 5 20 IIBD CCS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2c(F)cccc2[N+](=O)[O-])c1Cl 732370829 YZBLBYBOBXYUMZ-UHFFFAOYSA-N 436.244 4.191 5 20 IIBD COc1ccc([C@@H](OC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)[C@H](C)n2cccn2)cc1 734084381 QNTBESBIAJMWTO-AOMKIAJQSA-N 447.451 4.145 5 20 IIBD CNc1ccc(C(=O)Nc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)cc1[N+](=O)[O-] 734136949 USAJMYZWKZYCMW-UHFFFAOYSA-N 426.473 4.182 5 20 IIBD O=C(Nc1ccc(N2CCSCC2)cc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 741574571 MZFQNAMRXXLQEW-UHFFFAOYSA-N 441.431 4.341 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N(c1ccc(O)cc1)S(=O)(=O)c1ccccc1 743493670 IDELLVFNZOOOHF-UHFFFAOYSA-N 438.417 4.082 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1NC(=O)CC(C)C 745295319 HFZLEKQLXHDZGU-HNNXBMFYSA-N 427.457 4.072 5 20 IIBD C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H](OC1CCOCC1)c1ccccc1 747416704 SMGLHUKFTXDPAU-QVKFZJNVSA-N 447.919 4.373 5 20 IIBD CCOC(=O)[C@@H](Cc1ccccc1)OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 747955817 MRWFXVDZTKCYMW-GOSISDBHSA-N 426.450 4.050 5 20 IIBD C[C@@H]1C[C@@H](C)CN(CCCCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 749568804 WSHXDUNKFQEVGD-CHWSQXEVSA-N 446.773 4.499 5 20 IIBD O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)c1cccc(Cl)c1[N+](=O)[O-] 749925677 PHTJDQVMTHLMIN-LBPRGKRZSA-N 438.709 4.267 5 20 IIBD Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1ccc(Br)cc1[N+](=O)[O-] 750818751 GQQAIAOGPMEKEW-FUHWJXTLSA-N 430.302 4.114 5 20 IIBD CCN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(S(=O)(=O)C(F)(F)F)cc1 751115487 IKHARFAUODLQKE-UHFFFAOYSA-N 436.795 4.208 5 20 IIBD Cc1ccc([C@H](C)NC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)cc1[N+](=O)[O-] 752416791 NXHMQPFEABMHIU-AKGOGDBKSA-N 444.451 4.025 5 20 IIBD CC(C)(C)OC(=O)NC[C@H](C(=O)N1CCCc2c1cccc2[N+](=O)[O-])c1ccccc1 754406724 ZWLMTEDHRGNSEE-SFHVURJKSA-N 425.485 4.183 5 20 IIBD CCCOCc1ccccc1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754990901 WJVDJLLGVGHAAO-UHFFFAOYSA-N 425.254 4.353 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC([C@@H](O)c2ccccc2)CC1 755024906 PWEKQCCPDXCIQE-SFHVURJKSA-N 434.290 4.335 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 759361553 BSPYFKJUTVNLEP-INIZCTEOSA-N 445.472 4.473 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCc1ccc([N+](=O)[O-])cc1Br 759375709 ZRDLKHHZCZXIHF-UHFFFAOYSA-N 434.202 4.033 5 20 IIBD COc1ccc2c(c1)[C@@H](C(=O)Oc1ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc1)CC2 761429275 VLBKJJWXUWPNTC-NRFANRHFSA-N 432.432 4.491 5 20 IIBD C[C@H]1Oc2ccc(C(=O)C3CCN(Cc4ccc([N+](=O)[O-])c(Cl)c4)CC3)cc2NC1=O 761512857 YKMMEYJFWIVPAF-CYBMUJFWSA-N 443.887 4.063 5 20 IIBD Cc1ccnc(Oc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3C)cc2)n1 761906257 AVHDSMBTWOFMIK-UHFFFAOYSA-N 434.861 4.248 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl 762761679 KIIYLEBVJKTNEU-BHIYHBOVSA-N 439.940 4.142 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O 762932368 MEGZBZYTCJYKLJ-UHFFFAOYSA-N 446.818 4.403 5 20 IIBD O=C(Nc1cc(Br)ccc1N1CCOCC1)c1ccc([N+](=O)[O-])c(Cl)c1 764158737 LWROCYMOACSYON-UHFFFAOYSA-N 440.681 4.100 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c1F 764628888 IXSGJXWGVNAEMI-UHFFFAOYSA-N 425.391 4.364 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(C[C@@](O)(c3nc4ccccc4s3)C(F)(F)F)n2)c1 766246038 UUDXSCCLTYHBAE-QGZVFWFLSA-N 436.371 4.247 5 20 IIBD O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)OCc1ccc([N+](=O)[O-])cc1 767507219 PMLQXINSXHMGMY-UHFFFAOYSA-N 436.449 4.271 5 20 IIBD CS(=O)(=O)CCCCOC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 767744238 YIGCZTKBRQAMLJ-UHFFFAOYSA-N 443.930 4.381 5 20 IIBD CCOC(=O)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)c1cccc(C)c1C 770174416 TXSZYXUBUOSCSS-QGZVFWFLSA-N 435.274 4.008 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2cc([C@@H](O)c3ccccn3)ccc2C)cc1SC 773615937 UAVKWDPRQGPUPO-OAQYLSRUSA-N 439.493 4.363 5 20 IIBD C[C@H]1C[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C 773794607 WAHHKZVMMAHHIM-GXTWGEPZSA-N 443.953 4.245 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] 773894687 VENWXNGSXNXIAW-DIFFPNOSSA-N 425.254 4.311 5 20 IIBD COc1cc(Cl)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1I 775351300 OXLLZUHJYQFJPA-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD O=C(Nc1ccc(-n2ncc3ccccc32)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 775820259 QJKSOZONFQGQQZ-UHFFFAOYSA-N 443.463 4.023 5 20 IIBD CSc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1[N+](=O)[O-] 777075086 RPVLVCSNICSYOI-VIFPVBQESA-N 439.833 4.062 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3cccs3)c2)cc1[N+](=O)[O-] 777621242 OGPQDGIISIZAOI-UHFFFAOYSA-N 433.467 4.302 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc(CNC(=O)OC(C)(C)C)nc1C 779052814 MBUKJTZCQRFQJB-AWEZNQCLSA-N 430.505 4.182 5 20 IIBD CC(=O)c1ccc(N2CCC(OC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)CC2)cc1 779206439 LZWBDFVJULTVPX-UHFFFAOYSA-N 434.395 4.225 5 20 IIBD O=C(Nc1ccccc1C(=O)NOCCC(F)(F)F)c1ccc([N+](=O)[O-])cc1Cl 779325701 SLPOTPCGGBCZBJ-UHFFFAOYSA-N 431.754 4.114 5 20 IIBD O=[N+]([O-])c1ccc(CCS(=O)(=O)Oc2ccc3ccc(C(F)(F)F)nc3c2)cc1 779882333 RRUSUVCLWGMFOF-UHFFFAOYSA-N 426.372 4.113 5 20 IIBD Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 781255293 ALJWGKHDILEYFY-CYBMUJFWSA-N 436.414 4.452 5 20 IIBD Cc1ccc(NC(=O)COC(=O)c2cccc([N+](=O)[O-])c2Br)c(Cl)c1 781676837 YQFDHCNHZBMYOU-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD CC(=O)c1cc(Br)ccc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 783875101 HNGCFBMQUCTYST-UHFFFAOYSA-N 433.667 4.014 5 20 IIBD CC(C)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1[N+](=O)[O-] 784258702 WUOIBVJMIMAJFJ-HNNXBMFYSA-N 439.468 4.029 5 20 IIBD CC(=O)N[C@H](C)CCc1ccc(C(=O)COc2cc([N+](=O)[O-])ccc2Br)cc1 786743762 IAWJHJWFUSQGSS-CYBMUJFWSA-N 449.301 4.076 5 20 IIBD CC(C)(C)OC(=O)NC(C)(C)c1noc(-c2ccc(Br)cc2[N+](=O)[O-])n1 789783693 GIOYCQYQXGZABK-UHFFFAOYSA-N 427.255 4.167 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccccc1C(=O)NCc1ccccc1 790703740 JMTVQLWNTNCWAA-UHFFFAOYSA-N 441.846 4.499 5 20 IIBD Cc1cn(-c2ccccc2)nc1C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791246116 SIXXOMDMOLEIIE-UHFFFAOYSA-N 441.285 4.050 5 20 IIBD Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 791981296 HFIYESMCPGQOQI-LJHODMEESA-N 429.904 4.158 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc(Cl)c1Br 792472503 ACZMJSAEOIKSTN-UHFFFAOYSA-N 441.665 4.423 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)N1CC[C@H](C)Sc2ccccc21 795710488 HLXQHLPSNGCCAF-AWEZNQCLSA-N 430.482 4.068 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(C)n1-c1cc(C)ccc1C 798541602 OGRSJJLIPUKMSF-UHFFFAOYSA-N 441.513 4.230 5 20 IIBD O=C(OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)c2ncccc12 802078253 LHYVCFVBSFFVSQ-CQSZACIVSA-N 439.855 4.258 5 20 IIBD C[C@H](OC(=O)[C@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1)c1ccccc1[N+](=O)[O-] 805649874 TUHKURZMPGHCIC-SGTLLEGYSA-N 432.395 4.389 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2-c2nc(CC(=O)N(C)C3CCCCC3)no2)CC1 809475128 PFAHRKGKAGFMEH-UHFFFAOYSA-N 441.532 4.215 5 20 IIBD Cn1cc(CN2CCC[C@H]2COC(=O)NC2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 809719559 IRAJZFGSTJDLOF-NRFANRHFSA-N 441.532 4.019 5 20 IIBD Cn1c(C(=O)N[C@H]2CC(C)(C)Oc3ccc(NC(=O)OC(C)(C)C)cc32)ccc1[N+](=O)[O-] 810956635 IALIRUYIYHXCFN-HNNXBMFYSA-N 444.488 4.313 5 20 IIBD CC[C@H]1[C@H](C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCN1C(=O)OC(C)(C)C 811302590 QEWNMPLHHMPHGA-MSOLQXFVSA-N 445.472 4.329 5 20 IIBD O=C(N[C@H]1COc2ccccc2[C@H]1O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 811581395 PGOREDKISFEWBO-GHTZIAJQSA-N 428.510 4.102 5 20 IIBD CCN1CCc2nc3ccccc3c(C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)c2C1 812209392 BCMIUTOQXQHDDF-UHFFFAOYSA-N 438.915 4.447 5 20 IIBD Cc1cc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c(C(=O)NCC(F)(F)F)cc1F 813290549 INEQCRWEACVOSH-JTQLQIEISA-N 445.344 4.216 5 20 IIBD COc1ccccc1N(Cc1ccc([N+](=O)[O-])c(F)c1)S(=O)(=O)c1ccc(F)cc1 820700832 CIXOKJGUEBTGAD-UHFFFAOYSA-N 434.420 4.277 5 20 IIBD C[C@H](OC(=O)c1cc2cc(Br)ccc2[nH]1)C(=O)Nc1ccccc1[N+](=O)[O-] 912673770 PVHJHOJLHMVTEI-JTQLQIEISA-N 432.230 4.023 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@@H](C)SCc1nc(O)c2c(C)c(C)sc2n1 916403789 ZFZYXBXYLZNBOP-GFCCVEGCSA-N 433.511 4.458 5 20 IIBD O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 917768615 PRSOPYXXTGOFRY-UHFFFAOYSA-N 430.455 4.328 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3ccc(CN4CCOC4=O)cc3)cc2[N+](=O)[O-])CC1 917786480 CXNWOYHLUYAEDG-UHFFFAOYSA-N 438.484 4.036 5 20 IIBD O=C(CSc1nc2ccccc2s1)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 918982764 ZRDCZKJWMRIMND-UHFFFAOYSA-N 428.451 4.090 5 20 IIBD CC(C)[C@@H](OC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C(=O)N1CCCC[C@H]1C 919195849 OBUVFBWRKOIJPD-CXAGYDPISA-N 446.422 4.118 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@@H](C)Oc1cc(C(C)C)ccc1C 919409086 YQKIOTGAWPMCQN-JKSUJKDBSA-N 444.484 4.373 5 20 IIBD O=C1CCc2cc(OC[C@H](O)CNCc3c4ccccc4cc4ccccc34)ccc2N1 920414437 FCOSRUIVMGLVIP-OAQYLSRUSA-N 426.516 4.407 5 20 IIBD O=C(OCc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 920592916 JDBOQDAEFPGORE-CYBMUJFWSA-N 427.215 4.137 5 20 IIBD C[C@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)N1Cc2ccc([N+](=O)[O-])cc2C1 1116330533 GPVDMBWNUFXTNP-CQSZACIVSA-N 436.493 4.251 5 20 IIBD Cc1cc(C)cc(OCc2nnc([C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)o2)c1 1326081581 NQSPBHHTYFAOET-HXUWFJFHSA-N 436.468 4.459 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@H](Cc3nccn3C)C2)c([N+](=O)[O-])c1 1341242787 XEBIBKGYOGATIW-NTKDMRAZSA-N 447.539 4.271 5 20 IIBD O=Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CCC2)s1 1785747637 CURNFZCIEVGMDK-UHFFFAOYSA-N 439.449 4.123 5 20 IIBD C[C@H](C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1)c1ccc(O)cc1 1790505035 XWIBFDARZDBONC-HNNXBMFYSA-N 449.463 4.445 5 20 IIBD CC[C@H](C)CC(=O)NC1(c2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2)CCC1 1790616775 GKBAKCCTKNQFAY-HNNXBMFYSA-N 425.485 4.484 5 20 IIBD Cc1ccncc1C(=O)NC1(c2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2)CCC1 1790619576 FXSHXCUUMJKZTR-UHFFFAOYSA-N 446.463 4.065 5 20 IIBD CCCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2cccc([N+](=O)[O-])c2)cc1 1792476958 UXYYXSQNQZNTCZ-KOUNCHBCSA-N 435.524 4.042 5 20 IIBD Cc1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)CCC(C)C)[nH]n2)cc1[N+](=O)[O-] 1820918564 HWRGXOXDYLKBLH-LJQANCHMSA-N 441.532 4.297 5 20 IIBD CC/C=C(\C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cc(F)ccc2[N+](=O)[O-])[nH]n1 1823099262 SGCBWWQYNXBOOZ-CXPVQLEGSA-N 443.479 4.048 5 20 IIBD O=C([C@@H]1CC=CCC1)N1CCC([C@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1823677335 VMWJMSMRMMQHHM-FYYLOGMGSA-N 439.556 4.113 5 20 IIBD C/C=C(/C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1824843174 PSWPAXUIRNZSBH-DODBJNLLSA-N 427.545 4.113 5 20 IIBD C[C@@H]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1828481125 WDUWZNTUFAEXQO-KWUAJDOLSA-N 443.544 4.257 5 20 IIBD CSCC(C)(C)C(=O)N1CCCC12CN(C(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 1841643627 CMVGYMYQYMRTNZ-UHFFFAOYSA-N 447.582 4.016 5 20 IIBD Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CCc2cccc([N+](=O)[O-])c2)cc1Cl 1847358902 LYZCAXFFCVRVTI-SFTDATJTSA-N 441.915 4.005 5 20 IIBD C[C@H](Sc1cc(C(=O)NC2CC2)c2ccccc2n1)C(=O)Nc1ccccc1[N+](=O)[O-] 17276867 OIINCWQZNARTKP-ZDUSSCGKSA-N 436.493 4.155 5 20 IIBD Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 17973465 USCLHAXOJNIKJS-UHFFFAOYSA-N 438.528 4.159 5 20 IIBD COc1cccc(Nc2nnc(SCC(=O)OCc3cccc([N+](=O)[O-])c3)s2)c1 25212410 IREYGXGIKRZZAX-UHFFFAOYSA-N 432.483 4.034 5 20 IIBD CCOc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)c([N+](=O)[O-])cc1OC 27008742 HLSPLHKZBGTASJ-LBPRGKRZSA-N 436.848 4.148 5 20 IIBD CC(=O)Nc1cc2ccccc2cc1C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 27963543 HBEMZLNBAAHWTL-AWEZNQCLSA-N 435.436 4.199 5 20 IIBD O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N(Cc1cccnc1)C1CC1 28515536 KWULZDKDOOAKJB-UHFFFAOYSA-N 448.445 4.416 5 20 IIBD CC[C@@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1OC(F)F 62154713 GXMWWJWJDUJCJU-CYBMUJFWSA-N 427.791 4.056 5 20 IIBD CCN(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(C(F)(F)F)cc1 65217573 DZRKYPWABXGXND-KRWDZBQOSA-N 425.407 4.132 5 20 IIBD CCN(CC)CCn1ccc2cc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)ccc21 65316873 PPGGKMUYBKGOIO-UHFFFAOYSA-N 446.511 4.329 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(COc3ccc(S(=O)(=O)c4ccccc4)cc3)n2)cc1 107841453 ZOXNQAXMKHHGLE-UHFFFAOYSA-N 437.433 4.057 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)c1cccnc1Oc1ccc(Br)cc1 108373411 YPBWBVDKEONGGJ-UHFFFAOYSA-N 428.242 4.475 5 20 IIBD COc1cccc([C@H](C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 195602745 KAQHKLLYLFRGJA-AWEZNQCLSA-N 437.418 4.075 5 20 IIBD O=C(NCc1cc(Cl)c2c(c1)OCCO2)c1csc(-c2cccc([N+](=O)[O-])c2)n1 215717945 KCWDNCLGKFHVPV-UHFFFAOYSA-N 431.857 4.073 5 20 IIBD CNC(=O)c1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1 237223899 BXEFTOMJPYWIDX-UHFFFAOYSA-N 444.285 4.267 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)NCC2(c3ccccc3)CCCC2)cc1[N+](=O)[O-] 248021133 HYPMWSHOENSRBL-UHFFFAOYSA-N 437.525 4.116 5 20 IIBD C[C@@H](c1nc(-c2cccs2)no1)N1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1 301958220 OEULNOZLWBMUCS-AWEZNQCLSA-N 436.497 4.138 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCC1CCN(Cc2ccccc2Cl)CC1 303313614 PQJRBPIKSVWTGY-UHFFFAOYSA-N 444.963 4.469 5 20 IIBD O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1cccc(C(F)F)c1 409617099 IAWFGVVETJLGRG-UHFFFAOYSA-N 439.421 4.074 5 20 IIBD CCCC[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C 430325358 WVKSIGFEHSZFNM-JSGCOSHPSA-N 426.311 4.079 5 20 IIBD Cc1cc(OCC(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)ccc1[N+](=O)[O-] 430831749 DCGCMVZMMPRRBD-LBPRGKRZSA-N 429.420 4.164 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N(CCN(C)C)Cc3ccccn3)c([N+](=O)[O-])c2)cc1 433420518 KUHONDFCCXVWAQ-UHFFFAOYSA-N 433.512 4.119 5 20 IIBD Cc1nc(C)c(CCC(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)c(O)n1 435444103 QOTQXQIEHGJUGR-UHFFFAOYSA-N 430.511 4.491 5 20 IIBD COc1cccc(C(=O)Nc2cc(C)nn2-c2cccc(Br)c2)c1[N+](=O)[O-] 435619426 YFOZCIWGUHQHMA-UHFFFAOYSA-N 431.246 4.112 5 20 IIBD O=C(NCCCc1nc2ccccc2[nH]1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 435951185 VOLKENQSZDXSGM-UHFFFAOYSA-N 432.430 4.198 5 20 IIBD Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 439795235 QZUYFJAESZJAAB-UHFFFAOYSA-N 425.876 4.939 5 20 IIBD CC[C@@](C)(O)CNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 440512077 AHOINWLQYIPVLY-CNCHJIQNSA-N 425.510 4.412 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCCc2c[nH]c3ncccc23)c([N+](=O)[O-])c1 443888636 ZQPZXOGNVHWTER-UHFFFAOYSA-N 444.447 4.143 5 20 IIBD CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 445178476 IBJMZFZSNSKZIB-SECBINFHSA-N 426.292 4.199 5 20 IIBD Cc1ccc(Cc2nnc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Br)s2)cc1 445799905 RAJCZYAFVJXDHB-UHFFFAOYSA-N 447.314 4.289 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CCN(c3cccc4cnccc34)C[C@H]2C)cc1[N+](=O)[O-] 446206979 QSQSQXDSZUYULC-QZTJIDSGSA-N 433.512 4.433 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N(CCc1ccccc1F)C1CCCC1 446894833 RKLPMPUBGBJOKY-UHFFFAOYSA-N 425.464 4.307 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCSc3ccc(F)cc32)c(C(F)(F)F)c1 446947469 GEOKKHRSNCPTEF-CYBMUJFWSA-N 436.408 4.268 5 20 IIBD CS(=O)(=O)c1ccc(CN[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1C(F)(F)F 447555489 BTDYMYQKFCFGRC-QGZVFWFLSA-N 442.459 4.128 5 20 IIBD CCSc1nnc(NCc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)s1 447957290 YTIMVKBKUGRMAF-UHFFFAOYSA-N 432.527 4.758 5 20 IIBD CC(C)(C)c1ccc(C(=O)Nc2ccnn2-c2ccc(Br)cn2)cc1[N+](=O)[O-] 448537976 MXLWQJQZHHIDRV-UHFFFAOYSA-N 444.289 4.488 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(Oc2ccc(C)c(C)c2)nc1 461868975 WOGTUALQMKIQQL-SFHVURJKSA-N 438.488 4.270 5 20 IIBD C[C@@H]1C[C@H](c2ccccc2F)N(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 462593665 PZOVZWZIXRLSFD-PIGZYNQJSA-N 443.294 4.268 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(C)cc1OC[C@@H]1CCCO1 462631961 OZUFBBSGEXDJMX-KNQAVFIVSA-N 426.513 4.346 5 20 IIBD CNS(=O)(=O)c1ccc(Nc2ccc(C)c(Oc3cc(C)ccn3)c2)c([N+](=O)[O-])c1 463081865 AAPJCPXJDUZKKW-UHFFFAOYSA-N 428.470 4.051 5 20 IIBD O=C(CC1(O)CCCCC1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 468393579 UZSVRWVHUQGWFY-UHFFFAOYSA-N 443.569 4.053 5 20 IIBD C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC2(CCOCC2)O1 468545193 WCBVKJTYEQHNPG-MRXNPFEDSA-N 434.558 4.287 5 20 IIBD Cc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 470238028 CXXJCBYLCFANEQ-CYBMUJFWSA-N 427.404 4.227 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCOCc2ccccc21 470629548 XEXDUOMMCVAWPJ-UHFFFAOYSA-N 433.251 4.264 5 20 IIBD CCC1(CC)Oc2ccc(NC(=O)C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)cc2O1 471055898 KZDYIOFCKWMSEM-UHFFFAOYSA-N 439.468 4.012 5 20 IIBD C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 473531986 LWDDYXOXVSGZAF-YBKRRLQSSA-N 429.523 4.289 5 20 IIBD COc1c(F)cc(F)cc1NC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 473843727 QBUCKWBUDIQQKU-HNNXBMFYSA-N 437.399 4.086 5 20 IIBD O=C(c1cc(F)ccc1F)C1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 474774510 MAJGIRXAPSLAIC-UHFFFAOYSA-N 426.217 4.130 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(Cl)ccc1-c1nc(C2CC2)no1 476420118 BNSGUUHDYAZZRM-UHFFFAOYSA-N 434.861 4.285 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1cc(Br)ccc1Br 477977623 UMEJUEDHJWVYGU-UHFFFAOYSA-N 432.043 4.440 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 478044899 ZHCXLTDNVUBIKP-CYBMUJFWSA-N 443.887 4.343 5 20 IIBD COc1cccc(C(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c2cccc(OC)c2)c1 479463937 HGMYNYUPCNIVSP-UHFFFAOYSA-N 442.493 4.217 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 479719689 TYWBTOMOWMVVQF-MRXNPFEDSA-N 442.216 4.241 5 20 IIBD Cn1ccnc1C(=O)c1ccc(Sc2cc3c(cc2Cl)OCCO3)c([N+](=O)[O-])c1 480488527 IWCOMQHZTVBBMN-UHFFFAOYSA-N 431.857 4.135 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 483639803 CMBWQOFMBXFRPT-UHFFFAOYSA-N 447.944 4.349 5 20 IIBD COc1ccccc1[C@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccccc1 487449766 XJRCVOLJQGTAME-HSZRJFAPSA-N 428.448 4.309 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCC[C@H](Oc2ncccc2F)C1 488585825 XRQPMELMPSAHIX-LBPRGKRZSA-N 428.342 4.223 5 20 IIBD Cn1cc(C(=O)NCC[C@@H](c2ccccc2)C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 490790037 DXBWCAVBYXWTJU-SFHVURJKSA-N 432.402 4.461 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)c([N+](=O)[O-])c1 490892696 HSXVKOIESVLCHQ-UONOGXRCSA-N 449.891 4.111 5 20 IIBD COc1c(S(=O)(=O)Nc2ccccc2Cl)cc(Br)c(C)c1[N+](=O)[O-] 491604191 JXUYEPOZPSDPGJ-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD CCOC(=O)[C@H]1CCCc2sc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)nc21 493322812 RSMZWDOMKMCKDW-LBPRGKRZSA-N 435.477 4.090 5 20 IIBD CN(CC(=O)NC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1F 494377745 NVNUOYBCDWNSJO-UHFFFAOYSA-N 436.443 4.103 5 20 IIBD COc1cc(CNC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])ccc1OC1CCCC1 494461439 RFJLSQVBSCYUNE-UHFFFAOYSA-N 428.485 4.319 5 20 IIBD Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 495607294 FUBFZUMACBIBKB-AWEZNQCLSA-N 433.892 4.348 5 20 IIBD CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2cc(CC)nc(-c3ccc([N+](=O)[O-])cc3)n2)C1 496185290 FRMVUKGTDHCZED-AEFFLSMTSA-N 425.533 4.135 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N(CCCO)[C@H]1CCCc2ccccc21 498458708 XJQMQIHCXLLRHQ-FQEVSTJZSA-N 431.920 4.262 5 20 IIBD CC(C)c1nc([C@H]2COCCN2Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)no1 501746455 XNMOCAYCGPVSND-OAQYLSRUSA-N 437.500 4.443 5 20 IIBD Cc1ccc(-c2csc3nc(Cn4cc(Cl)cc([N+](=O)[O-])c4=O)nc(O)c23)s1 502130087 VHBSUBKIUCTKEB-UHFFFAOYSA-N 434.886 4.205 5 20 IIBD C[C@@H](CCc1ccccc1[N+](=O)[O-])Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C 503940622 BDOOCVZXNQCNHT-KRWDZBQOSA-N 437.544 4.209 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(-c3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3)n2)c1 504993020 ZIXJIMVSLPBJMS-UHFFFAOYSA-N 440.412 4.252 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F 508464741 FCMHFOFOHYLPMS-SOVGHPHASA-N 449.429 4.184 5 20 IIBD CCC1(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)CCN(C(=O)c2ccccc2)CC1 511617017 YFXSXVIOVCVLKP-UHFFFAOYSA-N 432.480 4.414 5 20 IIBD C[C@H]1CCCN(c2ccc(C(=O)N3CC[C@@H](n4ncc5ccccc54)C3)cc2[N+](=O)[O-])C1 511738269 FTMQFPDXKMMNSH-FXAWDEMLSA-N 433.512 4.268 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2C(=O)N[C@@](C)(c3cccs3)C2=O)cc1OC 513640996 VFQMRASGDAZLQV-ZSEKCTLFSA-N 447.513 4.057 5 20 IIBD C[C@H](NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccc(Oc2cccnc2)cc1 514174439 MNWVSIUHKDCIFW-SFHVURJKSA-N 447.495 4.375 5 20 IIBD O=C(CNc1ccccc1[N+](=O)[O-])Nc1nc2ccc(OCC(F)(F)F)cc2s1 517605497 GSRMKHHJQVHGEX-UHFFFAOYSA-N 426.376 4.196 5 20 IIBD COC(=O)c1cc(F)c(Br)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 518002311 MWUBHLIGNDXHPK-UHFFFAOYSA-N 431.601 4.189 5 20 IIBD COc1cc(CNC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)ccc1OCCC(C)C 518355163 HQEQZZQEVOEDAL-UHFFFAOYSA-N 439.468 4.212 5 20 IIBD O=C(N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F)c1ccn(-c2ccccc2[N+](=O)[O-])n1 518414251 DJSGLQOTCQSFTK-SFHVURJKSA-N 429.358 4.295 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCc1ccc(OC(F)(F)F)cc1 518832839 LEMGLWSILXTSSK-LLVKDONJSA-N 432.782 4.273 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCc3csc(Br)c3)cc2)c(C)c1[N+](=O)[O-] 520126147 PPWJLPJWFJPOQP-UHFFFAOYSA-N 449.330 4.210 5 20 IIBD Cc1cc(=O)c(-c2nc(-c3cccc(C(F)(F)F)c3)no2)nn1-c1ccccc1[N+](=O)[O-] 521895455 AXDHFGYXFYBQDR-UHFFFAOYSA-N 443.341 4.185 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N(C)Cc2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] 522582232 JPRFTXHYLGAWKQ-IBGZPJMESA-N 449.429 4.185 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 522728460 ZZNNOHABXCFQMM-UHFFFAOYSA-N 448.932 4.107 5 20 IIBD Cc1ccc(NCCCNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c([N+](=O)[O-])c1 523510620 RRRXIIYIEUHVKR-UHFFFAOYSA-N 436.516 4.338 5 20 IIBD CCC[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 524644255 CUTBJVIULSDDBN-JTHBVZDNSA-N 437.540 4.426 5 20 IIBD O=C(N[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1)c1cc2ccccc2o1 531276211 FTBCHKXXCUDRJS-OAHLLOKOSA-N 427.844 4.029 5 20 IIBD CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 532302118 XKOGWNCVMRBMTH-UHFFFAOYSA-N 449.891 4.135 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)C(F)(F)F 532482251 YSECRZZXTCWSGG-FQEVSTJZSA-N 448.401 4.196 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCc2cccc(NC(=O)c3ccccc3)c2)cc1OC 533658902 VLUSVXMBLPEIBS-UHFFFAOYSA-N 449.463 4.184 5 20 IIBD COc1ccc(-c2nc(C[S@](=O)Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)co2)cc1 534795924 UZECBSHSPYFPCV-WJOKGBTCSA-N 439.449 4.362 5 20 IIBD COc1ccccc1[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccn1 534842653 GOTHLOKDVQIZFU-LJQANCHMSA-N 442.269 4.280 5 20 IIBD O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCc2ccccc2[C@H]1Cc1ccccc1 536079774 DNWCEMIZGVNSFJ-HSZRJFAPSA-N 439.475 4.158 5 20 IIBD COc1cc(CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)ccc1OCC(F)(F)F 536684957 CTPLCYJJZGMRPE-UHFFFAOYSA-N 426.391 4.400 5 20 IIBD Cc1ccc(OCc2nc(CC(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3O)cs2)cc1 537580394 TUHMZHNLFJWWPM-UHFFFAOYSA-N 433.873 4.479 5 20 IIBD NS(=O)(=O)c1c(N[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] 538510209 SSSULUCPEOZQLK-KGLIPLIRSA-N 429.420 4.009 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)c1 539514636 RDGGOOZEQGYWMU-UHFFFAOYSA-N 445.431 4.111 5 20 IIBD Cc1ccc(CN2CCSCC2)cc1NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 539934352 IQDNXGWQRCSEOG-UHFFFAOYSA-N 437.569 4.465 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CCCC(F)(F)F)cc2)cc1[N+](=O)[O-] 539958166 GKSKRBWRDDPNMI-UHFFFAOYSA-N 445.419 4.375 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNCc3ccc4c(c3)CCS4(=O)=O)o2)c(Cl)c1 540622936 CVQZDRNHGCMAQN-UHFFFAOYSA-N 432.885 4.128 5 20 IIBD CCC[C@@H](NC(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 542070496 XKKUVYKQMIMIIO-OAHLLOKOSA-N 439.390 4.218 5 20 IIBD COc1ccccc1-c1noc([C@@H](C)NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])n1 543119798 FMYIYJCLXPPZCV-LLVKDONJSA-N 448.888 4.276 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]1c1cccc2c1OCCO2 543288019 GBTAJEVXXKFJNN-HNNXBMFYSA-N 434.901 4.475 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCC(OC[C@H]4CCOC4)CC3)c([N+](=O)[O-])c2)cc1 544124691 FXLDUWOMWVNWJP-SFHVURJKSA-N 439.512 4.177 5 20 IIBD CC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 547428700 CKVSZSSVHLSKKA-OPAMFIHVSA-N 432.480 4.093 5 20 IIBD COc1ccc(CC(=O)N2CCC(c3ccc(Br)cc3)CC2)cc1[N+](=O)[O-] 548773059 YPQUNAVNSBOJTG-UHFFFAOYSA-N 433.302 4.315 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN[C@@H](c3cncc(Br)c3)C3CC3)o2)cc1 551716822 SCIZDUSNRFXZAM-QGZVFWFLSA-N 430.262 4.043 5 20 IIBD C[C@H](CC(C)(C)c1ccccc1)NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 551744891 GPQLYFFSNMJELD-CYBMUJFWSA-N 448.317 4.168 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 557225798 NISSYCLRYXNMHI-SJORKVTESA-N 433.430 4.208 5 20 IIBD COCCOc1ccc(-c2noc(-c3cc([N+](=O)[O-])ccc3C(F)(F)F)n2)cc1F 559959670 XKAIMFMFHQOIIP-UHFFFAOYSA-N 427.310 4.495 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCN(Cc2csc([C@@H](C)OC)n2)CC1 562110988 UYZDXNIEEYHNIK-OAHLLOKOSA-N 447.561 4.061 5 20 IIBD COc1ccc(NC(=O)CN(C)[C@@H](C)Cc2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 563733014 QDJPVNNKYHGKFE-ZDUSSCGKSA-N 425.407 4.124 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N3CCC(F)(F)[C@H](C)C3)c([N+](=O)[O-])c2)c(C)c1 568940162 ZJCSOHYMYLWXPI-OAHLLOKOSA-N 439.484 4.494 5 20 IIBD COc1cc(F)c(F)cc1NC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 569630254 XCMJWJVPAQPGCO-HNNXBMFYSA-N 437.399 4.086 5 20 IIBD O=C(c1ocnc1C1CC1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 576663675 FRGQZQDKABPDLM-UHFFFAOYSA-N 438.509 4.147 5 20 IIBD CC(C)(NC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1ccccc1[N+](=O)[O-] 576776737 AOAUFDFRTHCCPY-OAHLLOKOSA-N 449.429 4.014 5 20 IIBD Cc1cc(-c2ncco2)ccc1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 578939247 ZDZWFTRYPATBCA-UHFFFAOYSA-N 436.453 4.090 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[C@H]1C(F)(F)F 580125150 UWDKRXBNFJSGFC-IUODEOHRSA-N 448.463 4.349 5 20 IIBD Cc1cc(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c2cnn(Cc3cccs3)c2n1 580466039 HNQJOMVXLYLMGV-UHFFFAOYSA-N 435.509 4.423 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CN[C@@H]2CCCOc3cc(F)ccc32)c1 580825730 FWQNTFVPZDLRQB-MRXNPFEDSA-N 442.228 4.342 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(-c2ccnc(OC(F)F)c2)no1 582386825 UESGMHXCYJPIQB-UHFFFAOYSA-N 427.161 4.379 5 20 IIBD C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 589300745 DATWKAFGYDBILP-MDASCCDHSA-N 442.541 4.079 5 20 IIBD C[C@H](NC(=O)NCc1ccc(OCCOc2ccccc2)nc1)c1cccc([N+](=O)[O-])c1 604078223 WVYFHRPOJCEBTE-KRWDZBQOSA-N 436.468 4.008 5 20 IIBD CC(=O)N(C)c1ccc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 604478835 CLLZUTHIDSVTBA-HNNXBMFYSA-N 433.468 4.398 5 20 IIBD CCOc1ccc(NC(=O)CN(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 604521714 VUZSIFLISNUUKX-FDDCHVKYSA-N 427.501 4.032 5 20 IIBD O=C(NCc1ccc(NC(=O)c2cccnc2)cc1)Nc1ccc([N+](=O)[O-])cc1Cl 604532277 IKWAMDWKJZVPCY-UHFFFAOYSA-N 425.832 4.217 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1ccccc1OC(F)(F)F 609027047 FXHONWHJKRLRDR-UHFFFAOYSA-N 441.181 4.057 5 20 IIBD CC(=O)N1CCC(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CC1 609191144 BBEYUQLAENVHGL-UHFFFAOYSA-N 447.944 4.388 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCc4ccccc4[C@@H]3C(N)=O)cc2[N+](=O)[O-])cc1 609347760 XOMACCRJLBCVPH-JOCHJYFZSA-N 447.516 4.279 5 20 IIBD Cc1cc(S(=O)(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] 609673455 AWTSHDVFYTVVGP-UWVGGRQHSA-N 434.358 4.091 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 609789053 FJGYROLKPLLQOL-KRWDZBQOSA-N 439.493 4.370 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2nncn2Cc2ccccc2)cc1 609794907 AIIRVRNFKXJZEA-UHFFFAOYSA-N 445.435 4.288 5 20 IIBD Cc1ccc(NCCCNC(=O)c2cccc(C(=O)N(C)CC(C)(C)C)c2)c([N+](=O)[O-])c1 610175953 LVVUKLWBRBATDI-UHFFFAOYSA-N 440.544 4.253 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H](C)C[C@@H]2CCOC2)cc1[N+](=O)[O-] 610742746 SKTCYRLOQVWVIH-GJZGRUSLSA-N 428.510 4.093 5 20 IIBD C[C@@H](OC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C(=O)N(c1nccs1)C1CCCCC1 725938115 WIRGXDUJRTTYCH-LLVKDONJSA-N 439.440 4.241 5 20 IIBD COc1ccc(NC(=S)/C(=C(/O)c2ccc(C)c([N+](=O)[O-])c2)[n+]2ccc(C)cc2)cn1 726962039 GQVDAWPKXYDUHB-UHFFFAOYSA-O 437.501 4.226 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)cc([N+](=O)[O-])c1 727804362 HDXFTIDRBKCCPI-UHFFFAOYSA-N 429.429 4.371 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N(Cc1ccc2c(c1)OCO2)c1ccc(F)cc1 729952970 GXNAHSIHDIUAAV-UHFFFAOYSA-N 448.410 4.046 5 20 IIBD CCNC(=O)c1cc(Cl)ccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 731465110 LBFQOSKRPVWEHG-JTQLQIEISA-N 426.256 4.057 5 20 IIBD CC1=C(C(=O)OCC(C)C)[C@@H](c2csc(-c3cccc([N+](=O)[O-])c3)n2)N(C)C(=O)N1C 733121056 JBQBLEGCWYHOKS-GOSISDBHSA-N 444.513 4.230 5 20 IIBD O=C(OCc1nc(-c2ccc(Br)s2)no1)c1cc([N+](=O)[O-])ccc1Cl 734024833 QPSOSHSBEMUHGY-UHFFFAOYSA-N 444.650 4.479 5 20 IIBD O=C(COC(=O)c1cc(Br)sc1Br)c1ccc([N+](=O)[O-])cc1 735158884 SXAYWGJRGONKCN-UHFFFAOYSA-N 449.076 4.221 5 20 IIBD O=C(Cc1nc(COC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cs1)Nc1ccccc1 736867611 WKXQICXUZULUPY-UHFFFAOYSA-N 431.857 4.243 5 20 IIBD Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 745438726 UDXHSRQHFTWBPI-UHFFFAOYSA-N 449.250 4.191 5 20 IIBD COc1ccc(CSCC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)cc1[N+](=O)[O-] 746249027 IYHSIRUYJRLIFE-UYAOXDASSA-N 448.516 4.090 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cccc1[N+](=O)[O-] 747120041 WIGALSUVIFQARZ-JTQLQIEISA-N 441.318 4.014 5 20 IIBD Cc1c(CC(=O)OCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)cccc1[N+](=O)[O-] 748479113 VEOLKUPAMRIMIL-QFIPXVFZSA-N 442.468 4.095 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)OCCCc2cn[nH]c2)cc1[N+](=O)[O-] 748492119 OQPXLCMKDGJLRK-UHFFFAOYSA-N 425.466 4.060 5 20 IIBD Cc1ccccc1[C@@H](OC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)c1cccs1 748505774 SPDPNZKQYJRFMN-OAQYLSRUSA-N 439.493 4.097 5 20 IIBD Cc1c(C(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748833636 ATOHYLQUZZFIIA-LLVKDONJSA-N 433.490 4.061 5 20 IIBD CN(C)[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1ccccc1 749408921 KCXNNTJZKKUMIS-HNNXBMFYSA-N 426.698 4.043 5 20 IIBD CCNC(=O)c1cccc(OC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 749514342 NCKDHKWZNVCWDK-OAHLLOKOSA-N 434.452 4.132 5 20 IIBD C[C@H](OC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1nc2cc(Cl)ccc2n1C 750219600 DLSWIFTVPBMHAS-LBPRGKRZSA-N 425.832 4.239 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Br)cc2)C[C@@H](C)O1 751117058 NVMWIIXUJGITPV-BETUJISGSA-N 434.290 4.223 5 20 IIBD C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1I 751355148 KAEWTOMXIAWPHV-IUODEOHRSA-N 436.249 4.218 5 20 IIBD CCc1ccc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])c(Br)cc2F)cc1 751692026 YVJYKVSCDVKDBQ-JTQLQIEISA-N 439.237 4.243 5 20 IIBD Cn1c([C@H]2CCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)nc2ccccc21 754635642 JCYKDLYJHFZOIL-OAHLLOKOSA-N 447.264 4.360 5 20 IIBD CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 755514184 FCHZPEIVIAEIIL-CQSZACIVSA-N 433.892 4.034 5 20 IIBD COc1cccc(NC(=O)[C@@H](OC(=O)CCc2cccc([N+](=O)[O-])c2)c2ccccc2)c1 756529202 SNIVQLZKZBQMAF-QHCPKHFHSA-N 434.448 4.459 5 20 IIBD Cc1c(C(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 760083939 HXSMEOFWTJDBGA-CYBMUJFWSA-N 440.239 4.412 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(Cl)cc1Br 761284002 MZCADFGFCCUOOM-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc2ccccc2c1 761516092 DQOAXYVLHWHXQK-QGZVFWFLSA-N 425.441 4.337 5 20 IIBD C[C@H]1CCCN1C(=O)c1ccc(-c2noc([C@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)n2)cc1 762310608 XTCDPICFKDHNGB-VBKZILBWSA-N 447.451 4.135 5 20 IIBD COc1cc(CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccn1 762458326 OQGVQXUUOZORHI-UHFFFAOYSA-N 433.873 4.047 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C)nc1Br 764300730 NBQJYYUYOUMLRW-UHFFFAOYSA-N 426.292 4.052 5 20 IIBD O=[N+]([O-])c1ccc([C@H]2SCCN2S(=O)(=O)c2ccc3nc(Cl)sc3c2)cc1 765724944 MNQWTGOXSKKBCR-OAHLLOKOSA-N 441.943 4.294 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCc1ccc(Oc2ccccc2)nn1 766092086 GFWSYCNTZNMOHJ-CYBMUJFWSA-N 429.816 4.341 5 20 IIBD Cc1cc(-c2noc(COC(=O)c3ccc([N+](=O)[O-])cc3Br)n2)ccc1F 767349242 KCRAECGSSZQLID-UHFFFAOYSA-N 436.193 4.212 5 20 IIBD COc1cc(CN2CCC(N(CC3CC3)C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])cc1OC 769493614 WGJLWNVOSKFXPM-UHFFFAOYSA-N 449.548 4.224 5 20 IIBD CC(C)c1c(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cnn1-c1ccccn1 770327301 YDRGXDMUJGMZAF-UHFFFAOYSA-N 430.262 4.314 5 20 IIBD O=[N+]([O-])c1cc(Cl)c2c(cnn2CN2CCC(c3nc(-c4ccccc4)no3)CC2)c1 774626839 KBUADBYMVJJQEB-UHFFFAOYSA-N 438.875 4.485 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H](O)c1c(Cl)cccc1Cl 778739109 KWKLVMFBSABYKK-OAHLLOKOSA-N 432.691 4.130 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(Cl)cc1 778892696 PBGWFGDFNZBIQI-WDEREUQCSA-N 442.802 4.272 5 20 IIBD CCC1(COC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)CCOCC1 780636138 IZUISQMTDMSFRR-UHFFFAOYSA-N 440.496 4.255 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OCCNC(=O)OC(C)(C)C)cc2)c1 784125205 GPUOBJANTFWUGT-UHFFFAOYSA-N 447.513 4.473 5 20 IIBD Cn1cc(CNCC2(C)CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 784649901 FHHLCOJEGWKTND-UHFFFAOYSA-N 443.548 4.122 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)S(=O)(=O)c1ccc(C(F)(F)F)cc1 788516621 USBVOULKYMJITN-VIFPVBQESA-N 436.795 4.068 5 20 IIBD Cc1cnc(COC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)c(C)c1[N+](=O)[O-] 789443570 PECDOMCIZIUQSQ-NRFANRHFSA-N 432.432 4.418 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2nc3c(Cl)cccc3s2)c(C)c1[N+](=O)[O-] 790647381 IOYMCLJIZVVAOG-UHFFFAOYSA-N 442.862 4.184 5 20 IIBD CCc1cnccc1[C@@H](C)NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 790801150 QDFBGVDCSLUBNV-GFCCVEGCSA-N 433.306 4.144 5 20 IIBD CS(=O)(=O)c1ccccc1CC(=O)OCc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1 790831305 RBCIMYCUXNSFJN-UHFFFAOYSA-N 441.461 4.077 5 20 IIBD C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1Br 791029261 ADPHSLRWYPYMLZ-GFCCVEGCSA-N 448.273 4.147 5 20 IIBD Cc1cc(F)cc(C(=O)N2CCC([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1[N+](=O)[O-] 794029117 LTAZANZHWVEJPV-INIZCTEOSA-N 435.496 4.152 5 20 IIBD O=C(C[C@@H]1CCCOC1)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 795912309 KHZHXJSEHMFUGH-XOBRGWDASA-N 432.860 4.288 5 20 IIBD COC(=O)/C=C\c1ccc(OC)c(OC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1 797156946 FGDPHTPCMQAPAT-WQLSENKSSA-N 429.428 4.095 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)Cn1nc(-c2ccco2)n(Cc2ccco2)c1=S 800866183 VXBIKWSLSRSRBF-UHFFFAOYSA-N 439.497 4.356 5 20 IIBD CCOc1cc(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])cc1OCC 801610289 XQORWMWLQNUQJB-UHFFFAOYSA-N 432.433 4.007 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1I)N1CCC=C(c2ccccc2)C1 803685034 TWOHLCDOMNUEEK-UHFFFAOYSA-N 434.233 4.129 5 20 IIBD COc1ccc2cc(NC(=O)NCCc3cc(OC)c(OC)cc3[N+](=O)[O-])ccc2c1 806615397 OPZRWHRKULACTA-UHFFFAOYSA-N 425.441 4.138 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3ccc4c(c3)C(=O)OC4)cc2[N+](=O)[O-])n1 809350114 NRSDOLWYYKCFBI-UHFFFAOYSA-N 427.463 4.434 5 20 IIBD Cc1nc(C(F)(F)F)ccc1OS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 809845544 OUJSRDZHUAQDEZ-UHFFFAOYSA-N 431.175 4.392 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)c3ccccc32)c1[N+](=O)[O-] 809861941 HOGAPHBQIKCDLX-UHFFFAOYSA-N 447.513 4.162 5 20 IIBD CC(C)(C)OC(=O)c1cnc(C(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cn1 811086416 UWGPHNUYGRMDSC-UHFFFAOYSA-N 428.228 4.004 5 20 IIBD COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1Cl 813241998 KEOUFULTACNZIP-KRWDZBQOSA-N 435.864 4.461 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 816849427 YYQOHISTJMKJOW-HNNXBMFYSA-N 433.505 4.046 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1I)N1CCC[C@H](c2ccccc2)C1 817108035 UKEHTFFMDANIEB-AWEZNQCLSA-N 436.249 4.219 5 20 IIBD C/C(=C/C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)c1cccc(C(F)(F)F)c1 819212649 TYEALRHHZSTOPZ-SQFISAMPSA-N 447.413 4.002 5 20 IIBD CCN1C(=S)N[C@H](c2ccc3ncccc3c2)C(C(=O)Nc2cccc([N+](=O)[O-])c2)=C1C 839457592 VCTQMOTYNBWSAS-OAQYLSRUSA-N 447.520 4.307 5 20 IIBD CC(C)[C@H](OC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C(=O)N1CCCC1 877840024 JIYNIDFIRYPZCJ-NRFANRHFSA-N 425.485 4.011 5 20 IIBD O=C(COC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)N[C@H](Cc1ccccc1)c1ccccc1 917657185 XABNVKZLUMZEHY-AONZOJHOSA-N 430.460 4.251 5 20 IIBD COc1ccc2cc(CN(C)C(=O)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)ccc2c1 918306346 SOCZJGJMNNEMHL-UHFFFAOYSA-N 427.844 4.007 5 20 IIBD Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)OCCCOc3ccc([N+](=O)[O-])cc3)C2)c1 919417466 PNARXRJLAZVTFB-IBGZPJMESA-N 440.496 4.076 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)NC[C@@H]2CCCC[C@H]2C(C)(C)C)cc1[N+](=O)[O-] 920034449 RPJQLTASATZCOL-JKSUJKDBSA-N 431.562 4.457 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCc2ccc(-n3ccnc3)cc2)cc1[N+](=O)[O-])c1ccccn1 921150481 WIHDSYILEMDVBQ-KRWDZBQOSA-N 442.479 4.279 5 20 IIBD COc1ccc(CSCC(=O)N2CCC(C(=O)c3cccs3)CC2)cc1[N+](=O)[O-] 1116221024 ILYPXFNWYRVPKK-UHFFFAOYSA-N 434.539 4.020 5 20 IIBD Cc1ncccc1C(=O)Nc1ccc(C2(NC(=O)Cc3cccc([N+](=O)[O-])c3)CCC2)cc1 1787318185 UKTZGVPJKOULKY-UHFFFAOYSA-N 444.491 4.289 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@H]3CCC=CO3)CCC2)cc1)c1cccc(F)c1[N+](=O)[O-] 1790700982 HLUKAVWMTLGPBB-LJQANCHMSA-N 439.443 4.174 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 1804344186 ZTBIWQOWRTXLJC-FCJRBGQTSA-N 439.899 4.213 5 20 IIBD Cc1ccc(C(=O)N2CCCC3(CCN(C(=O)c4c(F)ccc([N+](=O)[O-])c4C)CC3)C2)o1 1806251586 HHUDSIBRCJFSPG-UHFFFAOYSA-N 443.475 4.102 5 20 IIBD C[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc([N+](=O)[O-])o2)n[nH]1)c1ccccc1 1814313470 MGFPHXPZHLYVJU-YOEHRIQHSA-N 437.456 4.021 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)[nH]n1)C1CCCCC1 1816708689 HJUIIGRNZFWIJV-LJQANCHMSA-N 443.479 4.343 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCCC[C@H]1c1cc(NC(=O)C23CCC(CC2)CC3)n[nH]1 1822956624 FHKDHVOVPHKBKD-DRCDNIGYSA-N 441.488 4.187 5 20 IIBD O=C(CC1CCC1)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1824279634 XOLAADIRFUEIPX-JCOOBLOPSA-N 429.517 4.011 5 20 IIBD Cc1c(C(=O)N2CC3(CCCN3C(=O)CCCC(F)(F)F)C2)cc(Cl)cc1[N+](=O)[O-] 1841829994 NLFTYHCFWUQDBY-UHFFFAOYSA-N 447.841 4.106 5 20 IIBD CCCCC[C@H](C)C(=O)N1CCCC12CN(C(=O)Cc1ccc(Cl)cc1[N+](=O)[O-])C2 1846019760 NXQJKRZLRZCIHN-INIZCTEOSA-N 435.952 4.211 5 20 IIBD COc1cccc(Nc2nnc(S[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)s2)c1 3601405 RDYDXERFLDYPLK-LLVKDONJSA-N 431.499 4.318 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2oc3ccccc3c2CSC)c([N+](=O)[O-])c1 9786710 PJBVWWZROHOVIE-UHFFFAOYSA-N 430.438 4.008 5 20 IIBD COc1cc(C(=O)OCC(=O)c2cccc3ccccc23)c([N+](=O)[O-])cc1OC(F)F 10209194 WBAASVRNULKBJX-UHFFFAOYSA-N 431.347 4.398 5 20 IIBD Cc1cc(C(=O)COC(=O)COc2ccccc2[N+](=O)[O-])c(C)n1Cc1ccc(F)cc1 11083644 KHEMAGHYXWMOLN-UHFFFAOYSA-N 440.427 4.005 5 20 IIBD COC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 13882981 XTIQTXSQXRLPDJ-UHFFFAOYSA-N 427.394 4.270 5 20 IIBD CCCC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(SC)ccc2[N+](=O)[O-])cc1 16196907 QXFKSQVZQNXFHQ-CYBMUJFWSA-N 430.482 4.484 5 20 IIBD CCN(C(=O)COC(=O)c1cc(SC)ccc1[N+](=O)[O-])c1nc2ccccc2s1 16196978 DBBRPSBIVUGWBQ-UHFFFAOYSA-N 431.495 4.136 5 20 IIBD Cc1ccc(-c2nc(CC(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cs2)cc1 17205337 LWFZAWLJCKZRRB-UHFFFAOYSA-N 445.884 4.405 5 20 IIBD C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 17272820 OYJFNBWMVLOOBS-LBPRGKRZSA-N 429.527 4.293 5 20 IIBD COc1cc(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1OC(F)F 17656093 QHXNMFQNKKYPGO-JTQLQIEISA-N 435.339 4.173 5 20 IIBD CSc1ccc(C(=O)OCC(=O)NCC2(c3ccccc3)CCCC2)cc1[N+](=O)[O-] 22161059 GJAUTQXADFNIDD-UHFFFAOYSA-N 428.510 4.102 5 20 IIBD CCOc1ccc(CN(C)C(=O)CSc2nc3cc4ccccc4cc3c(=O)n2C)cc1 22254082 RTGOAYWIJKDNBA-UHFFFAOYSA-N 447.560 4.236 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CCCSc3ccccc32)cc1[N+](=O)[O-] 24049956 KJHUCBIBDXJRRT-UHFFFAOYSA-N 427.511 4.017 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2cc(OC)ccc2OC)cc1 32956102 JQRKVLGMWWBINB-UHFFFAOYSA-N 438.436 4.343 5 20 IIBD COc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)c([N+](=O)[O-])cc1OC 59783503 ZOCNAYYHLKLYGO-UHFFFAOYSA-N 439.399 4.256 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCN(C/C=C/c2ccccc2)CC1 61441862 DZAWBHOOSQVGRB-QPJJXVBHSA-N 449.429 4.007 5 20 IIBD O=C(CCc1ccc(Br)cc1F)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 62866321 UQQLFULYRPOVGK-UHFFFAOYSA-N 439.237 4.229 5 20 IIBD O=C(NCCCOc1ccc(Cl)cc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 63433124 VPDKDJXEJSWEEH-UHFFFAOYSA-N 446.674 4.079 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 71933510 MBCUQNOHOBXJIL-QGZVFWFLSA-N 436.390 4.099 5 20 IIBD COC(=O)[C@H]1CCCCN1C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 97074707 PGKYQSFHMYAPKH-GOSISDBHSA-N 431.876 4.028 5 20 IIBD CCc1ccc(-c2nc(CN3C(=O)N[C@@](C)(c4cccc([N+](=O)[O-])c4)C3=O)cs2)cc1 97336414 WBYQYTWYADZIRW-QFIPXVFZSA-N 436.493 4.248 5 20 IIBD COc1cc(C)ccc1Oc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cn1 106184922 HVOIQEIGAOUOAJ-UHFFFAOYSA-N 429.454 4.208 5 20 IIBD O=C(NCc1cccc(Oc2ccccc2)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 106296679 ZOODVDVXNNFMHA-UHFFFAOYSA-N 433.464 4.154 5 20 IIBD NC(=O)COc1cccc(CNCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c1 237885206 JOLHCYGGSNYEKE-UHFFFAOYSA-N 441.871 4.194 5 20 IIBD CCN(CC(=O)Nc1c(F)cccc1F)c1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 301100054 KAOKTBPIVBWWPJ-UHFFFAOYSA-N 427.411 4.103 5 20 IIBD CC(C)n1c([C@@H]2CCCN(c3ccc([N+](=O)[O-])cc3S(C)(=O)=O)C2)nc2ccccc21 302619389 GOAOLLIEDBAROO-MRXNPFEDSA-N 442.541 4.313 5 20 IIBD O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)c1cc(O)nc2ccc([N+](=O)[O-])cc12 303517056 YDGNDGAUJVTTDC-QGZVFWFLSA-N 429.379 4.257 5 20 IIBD COc1cc(OCC(=O)Nc2c(C)c(C(C)(C)C)nn2-c2ccccc2)ccc1[N+](=O)[O-] 410010478 JHPHKSBHKUMPKS-UHFFFAOYSA-N 438.484 4.413 5 20 IIBD COc1cc(OCC(=O)N[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)ccc1[N+](=O)[O-] 410041136 LJZUSTXXSGMADZ-VWLOTQADSA-N 448.475 4.213 5 20 IIBD CO[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(Cl)c1 426067568 SJYNOBOSZANQQK-INIZCTEOSA-N 431.798 4.454 5 20 IIBD Cc1c(NC(=O)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cccc1C(F)(F)F 427877574 OYLJMTUHLGVTBG-UHFFFAOYSA-N 449.307 4.196 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2cccc(F)c2-c2nc[nH]n2)cc1[N+](=O)[O-])c1ccccn1 428222213 MSPUFRPDFNKRHG-ZDUSSCGKSA-N 447.430 4.339 5 20 IIBD C[C@@H]1CC(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)Cc1ccc([N+](=O)[O-])cc1 430473979 OJWNQQRAZJAKEM-GOSISDBHSA-N 429.476 4.496 5 20 IIBD C[C@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CCN1Cc1ccccc1 431328267 VPCCKBUJSQYYFK-HNNXBMFYSA-N 432.318 4.094 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H]1c1cccc2c1OCCO2 431917967 CEGGHDPQOPLXBR-INIZCTEOSA-N 433.258 4.106 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 432433008 IOBYTZOVPCYSEO-UHFFFAOYSA-N 448.479 4.062 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCN(Cc2csc(-c3ccccc3)n2)CC1 436268806 VXWQHVHMYJSDTG-UHFFFAOYSA-N 449.458 4.454 5 20 IIBD COc1ccc(Br)cc1-c1nc(Cn2c(C)c([N+](=O)[O-])ccc2=O)cs1 436475763 VLZVFXCZLJXNQR-UHFFFAOYSA-N 436.287 4.008 5 20 IIBD COc1cc(C(=O)N[C@@H](C2CCCCC2)C(F)(F)F)c([N+](=O)[O-])cc1OC(F)F 439857450 QGNULQUBTRAGEO-AWEZNQCLSA-N 426.338 4.446 5 20 IIBD CO[C@H]1CCN(C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)[C@@H](C)C1 441445402 VXRISNWWOIPOAD-HOCLYGCPSA-N 428.510 4.187 5 20 IIBD CCN(c1ccccc1)c1ccc(CNC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 442374269 KPCPYFRRTIJKEJ-UHFFFAOYSA-N 432.480 4.316 5 20 IIBD COc1cc(Br)c(C(=O)Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)cc1OC 442895749 BGVVBWWQRRSFDI-UHFFFAOYSA-N 446.257 4.121 5 20 IIBD COC(=O)c1ccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c(OC(F)F)c1 444016332 YSJVJIYSDRJVDC-UHFFFAOYSA-N 438.386 4.322 5 20 IIBD CCc1cccc2c(CCNC(=O)Cc3ccc([N+](=O)[O-])cc3Br)c[nH]c12 446058962 FCAOBCBAGHHRJE-UHFFFAOYSA-N 430.302 4.302 5 20 IIBD CC(C)COC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccco1 446123545 UHMGUTGUSWVHLR-INIZCTEOSA-N 425.279 4.023 5 20 IIBD CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1 446408829 OFGRZZVWPLPEJO-AWEZNQCLSA-N 433.892 4.034 5 20 IIBD Cc1ccc(NC(=O)C(=O)N(Cc2cccc(Br)c2)C(C)C)cc1[N+](=O)[O-] 446893449 STQOGZJGCVOWHZ-UHFFFAOYSA-N 434.290 4.041 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1SCCCS(=O)(=O)c1ccc(F)cc1 447356935 USBDMKVUTZCXRC-UHFFFAOYSA-N 434.308 4.453 5 20 IIBD Cc1ccc(-c2nnc(N(C)CCc3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCO2)s1 461175096 PGLPOISXBYDGPE-SFHVURJKSA-N 427.530 4.081 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)cc1 462399255 CDBCFTRASCHTFY-UHFFFAOYSA-N 428.432 4.155 5 20 IIBD Cc1ncn(-c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Br)cc2)c1C 462760682 KSQLKMARWDDLGG-UHFFFAOYSA-N 429.274 4.341 5 20 IIBD O=C(Nc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1)c1ccccc1 463522969 XOJQZLZWDYGGNV-UHFFFAOYSA-N 448.460 4.196 5 20 IIBD Cc1ccc(CCN(CC(F)(F)F)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1 463928803 GKORFCLAMMFHCR-UHFFFAOYSA-N 432.402 4.336 5 20 IIBD CC[C@H](C)Oc1cc(C)ccc1CNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 464996716 MTIRIWQBOVPRKH-INIZCTEOSA-N 441.484 4.085 5 20 IIBD CC[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 465253667 CGDHRIIQQMJEQC-NSHDSACASA-N 425.392 4.137 5 20 IIBD CCCNc1ccc(C(F)(F)F)cc1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 468981630 NRTIRZQPZLGUGS-UHFFFAOYSA-N 438.406 4.194 5 20 IIBD Cc1ccc(F)cc1-c1nnc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)s1 469870346 CFBJXXMMRKNDAN-UHFFFAOYSA-N 427.461 4.413 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 473494347 GZHGNIBROOBSGT-AREMUKBSSA-N 448.567 4.323 5 20 IIBD O=C1CCC[C@H]1[C@@H]1COCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 475125506 SPTYQHBPUIAESQ-WMZOPIPTSA-N 449.301 4.187 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 476249161 COLONHIEUVWSBV-UHFFFAOYSA-N 436.383 4.121 5 20 IIBD COc1cccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)N(C)C)c1 478980883 HJUXNZJOPDOBIC-HXUWFJFHSA-N 431.558 4.384 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(OC3CCC3)c(F)c2)cc1[N+](=O)[O-] 480966871 YZWRBHFRVQMSEP-UHFFFAOYSA-N 443.460 4.197 5 20 IIBD CCn1c(SCc2nc([C@@H](C)OCC(C)C)no2)nnc1-c1ccc([N+](=O)[O-])cc1 481370798 MFBFUZWAPRQFRT-CYBMUJFWSA-N 432.506 4.282 5 20 IIBD COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3n2C(C)C)c([N+](=O)[O-])c1 481452719 UBQAODGVNJPPPJ-GOSISDBHSA-N 444.513 4.060 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1ccccc1N1CCCCC1 482877494 GENAJBPKUBWIEL-UHFFFAOYSA-N 432.318 4.207 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@@H]4[C@@H](CCCN4Cc4ccccc4)C3)n2)c1 483513500 OTDURQCAKKMZAM-RBBKRZOGSA-N 433.512 4.131 5 20 IIBD Cc1c(CNC(=O)C(=O)Nc2ccccc2O[C@H](C)c2ccccc2)cccc1[N+](=O)[O-] 483816312 JMQXHNAEMRIZRV-QGZVFWFLSA-N 433.464 4.298 5 20 IIBD CCOc1cc(NC(=O)C(=O)N[C@H](C)[C@H](C)C2CCCCC2)c([N+](=O)[O-])cc1OCC 484097070 QJYUFKVXUYAGLC-LSDHHAIUSA-N 435.521 4.052 5 20 IIBD CS(=O)(=O)c1cc(C(=O)N(CC2CC2)c2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1 484954392 PHJGLIQWAJEWAA-UHFFFAOYSA-N 442.415 4.074 5 20 IIBD CSc1ccc(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)cc1[N+](=O)[O-] 485661414 USAHNTBYLHDJHY-AWEZNQCLSA-N 436.331 4.088 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1nc(-c2cccnc2)no1 487682070 ABLYHEDRMSBTEE-UHFFFAOYSA-N 427.486 4.060 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CN(CCO)Cc3cccc(Br)c3)cs2)c1 488370545 RCJYXVLQYPZWAO-UHFFFAOYSA-N 448.342 4.475 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC2(CC1)OCCc1ccsc12 490343599 YEEYGXHXTLBPBC-UHFFFAOYSA-N 439.440 4.354 5 20 IIBD C[C@H](NS(=O)(=O)c1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 490998729 QQIBHNJXLWHTHM-NUXNZHGMSA-N 449.554 4.012 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)cc([N+](=O)[O-])c1 494529069 FURYQDFLGDQFTG-CYBMUJFWSA-N 448.859 4.093 5 20 IIBD CN(Cc1cccc2[nH]ccc12)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 494828588 GJTVTCRDBAFYBS-UHFFFAOYSA-N 435.406 4.348 5 20 IIBD COC(=O)c1cc(NC(=O)N(Cc2ccc(F)cc2)C2CCOCC2)c(C)c([N+](=O)[O-])c1 494914208 FJPUWGPUNZPRGU-UHFFFAOYSA-N 445.447 4.042 5 20 IIBD CCCCN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1CC(C)(C)NC(C)(C)C1 495099204 JZMQJWYKVXGPHI-UHFFFAOYSA-N 427.549 4.332 5 20 IIBD CCc1ccc(N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c2nc3ccccc3s2)cc1 499319753 HPKOHTJTMDJODR-UHFFFAOYSA-N 434.477 4.294 5 20 IIBD Cc1sc(S(=O)(=O)N2CCC(C)(c3nc4ccccc4s3)CC2)cc1[N+](=O)[O-] 509153999 PFLPYWGIXCVQTM-UHFFFAOYSA-N 437.568 4.317 5 20 IIBD Cc1nnc(Sc2ccc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)c(C)c2)s1 509290485 UQFZKMMNCRCXHR-UHFFFAOYSA-N 444.494 4.238 5 20 IIBD CC1CCN(c2ccc(C(=O)N(C)Cc3ccc(Br)o3)cc2[N+](=O)[O-])CC1 509437822 AFFIETCIDSBMEH-UHFFFAOYSA-N 436.306 4.459 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 509810705 XKXHJPILLSSWRF-GOSISDBHSA-N 442.859 4.244 5 20 IIBD C[C@H](c1ccccc1)N(C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 510536419 DJNIMJLABYDTTB-GFCCVEGCSA-N 425.304 4.272 5 20 IIBD COC(=O)c1cc(CN(C)C(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)oc1C 512646112 TVZOCFULARKJQT-GASCZTMLSA-N 443.500 4.037 5 20 IIBD COc1ccc2oc(C(=O)N[C@@H](CC(=O)OC(C)C)c3ccccc3[N+](=O)[O-])c(C)c2c1 514519617 QMDSFWDIDSQBLM-SFHVURJKSA-N 440.452 4.471 5 20 IIBD CCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H](C)c1cc2ccccc2o1 517828362 DWHWHECMGCBVIY-GFCCVEGCSA-N 447.394 4.491 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)NCC2CCC(c3ccccc3)CC2)cc1OC 518643402 DAWYRMGYMWEVOP-UHFFFAOYSA-N 442.512 4.332 5 20 IIBD O=C1[C@@H](Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)CCN1c1cccc([N+](=O)[O-])c1 518791537 ZWWOWCPXUCPXRF-ROUUACIJSA-N 431.876 4.023 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1cc(Br)ccc1F 518927109 FTBGIJHHXIVDLI-LLVKDONJSA-N 427.295 4.336 5 20 IIBD Cc1cc(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)n(-c2cccc(C(F)(F)F)c2)n1 520263893 NMGKNTOJMFCVDA-UHFFFAOYSA-N 449.389 4.308 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(N2CCCC2)c(F)c1 520737043 RIKRONLSJAQYKB-UHFFFAOYSA-N 440.397 4.195 5 20 IIBD CCn1cc(CN(C)C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)cn1 522240520 ODOZVGBXXIJBOQ-UHFFFAOYSA-N 427.892 4.349 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N(Cc1ccncc1)C1CC1 522938469 BRVLUWYVOJZVPI-UHFFFAOYSA-N 432.267 4.287 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cc(Br)ccc2OCC)cc([N+](=O)[O-])c1 524126601 AQURZRSSBSVZDL-UHFFFAOYSA-N 437.246 4.185 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)cc1SC 524641406 KIJVDYQJGIZABQ-CYBMUJFWSA-N 435.933 4.378 5 20 IIBD COc1cc(CN(C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)c(SC)cc1OC 524999640 NOUYDHBZCYDJFV-UHFFFAOYSA-N 430.486 4.016 5 20 IIBD CC(C)(C)C[C@@H](NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1 525023513 ATJBPFYLMGKDML-MRXNPFEDSA-N 431.876 4.450 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 525669314 HFCSDPKXLUMOEQ-UHFFFAOYSA-N 444.535 4.094 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1 527182879 VOHBBBNRYUQJGF-UHFFFAOYSA-N 435.458 4.157 5 20 IIBD COc1ccnc2c(NS(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])cccc12 535765799 YSPSDDSETJWZHC-UHFFFAOYSA-N 428.253 4.259 5 20 IIBD CCCCn1cc(CNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1 539178562 REGMXYNKVYRZGW-UHFFFAOYSA-N 430.452 4.327 5 20 IIBD O=[N+]([O-])c1cc(CN2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)ccc1Oc1ccc(F)cc1 539841098 YDEXBADAJKSYGV-WIYYLYMNSA-N 434.489 4.068 5 20 IIBD O=C(Nc1ccc(F)c(Cl)c1)C1CCN(c2ncnc3cccc([N+](=O)[O-])c23)CC1 541577162 JVDGDVBBTJTNHB-UHFFFAOYSA-N 429.839 4.186 5 20 IIBD COc1ccc2c(c1)CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H](c1ccccc1)C2 542278592 AGONOYKCWGLVKT-QPPBQGQZSA-N 434.492 4.143 5 20 IIBD O=C(CNc1ccccc1[N+](=O)[O-])NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 542388509 LSZYJJUSFFISRO-UHFFFAOYSA-N 437.327 4.094 5 20 IIBD CCc1ccc([C@@H](NC[C@]2(O)CCN(Cc3ccccc3)C2)c2ccc([N+](=O)[O-])cc2)o1 542470502 ISUMPXUHNKYQIF-LOSJGSFVSA-N 435.524 4.066 5 20 IIBD COc1cccc(-c2nnc(NCc3csc(-c4cccc([N+](=O)[O-])c4)n3)o2)c1OC 543680127 QKFPSFJFQOKYAS-UHFFFAOYSA-N 439.453 4.398 5 20 IIBD O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1O)c1ccc(=O)n(Cc2ccccc2Cl)c1 543681311 YADRQFRUUYWEIX-UHFFFAOYSA-N 434.235 4.070 5 20 IIBD COc1ccc([C@@H](C)NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1Br 544428686 PBXPGPNGLUEPBE-GHMZBOCLSA-N 425.254 4.486 5 20 IIBD CCc1nc(Cc2noc(CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)cs1 546361750 PEHXMLISJXIJHC-UHFFFAOYSA-N 427.408 4.261 5 20 IIBD CC(C)(C)C(=O)Nc1nc(Cc2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)cs1 546490431 GHVPXCYHKBCOIM-UHFFFAOYSA-N 440.485 4.082 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cccc([C@H](C)N2CCOCC2)c1 550298162 UQOCRJLTWYYGOV-AWEZNQCLSA-N 448.317 4.311 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(N2CCCCCC2)cc1C 553294922 WEVZRLYMELWHRI-GOSISDBHSA-N 428.537 4.155 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1 558532147 IMYXWSMAAVVFNC-UHFFFAOYSA-N 437.496 4.002 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC(c2noc3cc(F)ccc23)CC1 564543341 WKDKVPYHHJLSAO-UHFFFAOYSA-N 435.415 4.081 5 20 IIBD CC(C)c1ccc(OC2CCN(CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 568319674 PKIWUJGSLOBURW-UHFFFAOYSA-N 432.542 4.035 5 20 IIBD COc1ccc(CN2CC[C@H](n3cc(Cl)cn3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 568523124 UDMARJRYDMRNRZ-FQEVSTJZSA-N 442.903 4.479 5 20 IIBD Cc1ccc(CN(C)C)cc1NCc1cc(I)cc([N+](=O)[O-])c1 578101812 ALVUCKPAIUEZFY-UHFFFAOYSA-N 425.270 4.182 5 20 IIBD Cn1nc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)cc1C1CC1 579696611 QSPOZSRPDYUIBJ-UHFFFAOYSA-N 425.876 4.724 5 20 IIBD Cc1ccccc1[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCOC2)C1 581476640 DOAMRTWIXAILNC-ICSRJNTNSA-N 433.512 4.192 5 20 IIBD CC[C@](C)(OC)c1noc(-c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)n1 583114028 YXDMLXCCBZTSNU-FQEVSTJZSA-N 446.485 4.026 5 20 IIBD CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)c1nccc(C(N)=O)c1[N+](=O)[O-] 583844315 CKFUGFDOPCUCOH-UHFFFAOYSA-N 434.374 4.394 5 20 IIBD O=[N+]([O-])c1cc(Br)cnc1N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 584676554 LZNDWSGVOXOTJZ-AWEZNQCLSA-N 448.195 4.229 5 20 IIBD COc1ccc(-c2nsc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)n2)cc1 590682252 LHKFEXBLFNYBOM-UHFFFAOYSA-N 442.500 4.321 5 20 IIBD Cc1nc(C)c(-c2nnc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)o2)s1 600864609 MLGLGMJBJRQXFK-MRVPVSSYSA-N 439.906 4.491 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(Nc2ccc(OC(F)F)c(F)c2)c([N+](=O)[O-])c1 603869705 ALNRHOFMZZIIDK-UHFFFAOYSA-N 433.408 4.109 5 20 IIBD COC(=O)c1ccoc1CSc1ccccc1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 603954479 YWXUULMJRACWSK-UHFFFAOYSA-N 438.461 4.470 5 20 IIBD Cc1nc2ccnn2c(C)c1CCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 603998966 OYFXNJRDTDTNLU-UHFFFAOYSA-N 436.497 4.258 5 20 IIBD COc1c(F)cc(NC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1F 604087753 QBURNBBMBUDYQR-UHFFFAOYSA-N 434.321 4.134 5 20 IIBD CCOc1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C(C)C)cc1OCC 608933328 DBWVQSXOTNFNQC-NRFANRHFSA-N 444.484 4.291 5 20 IIBD O=[N+]([O-])c1cccc(-c2ncn(Cc3cc(Br)ccc3OC(F)F)n2)c1 609054040 RJRFYFWIQQNNPN-UHFFFAOYSA-N 425.189 4.266 5 20 IIBD CCc1[nH]nc(C(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2)c1[N+](=O)[O-] 609156465 OPHQDJWCVVPGAQ-INIZCTEOSA-N 429.274 4.162 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1c(C)cnn1[C@@H]1CCCc2ccccc21 609321919 PUZVJRYSJOUCTH-GOSISDBHSA-N 426.498 4.135 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 609447239 DSRPSZUYGQLSIG-UHFFFAOYSA-N 446.872 4.005 5 20 IIBD CC(C)(C(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1)n1cc([N+](=O)[O-])cn1 609454535 YLJKYOSWQDOSNI-NRFANRHFSA-N 447.495 4.142 5 20 IIBD COc1ccc(CSCC(=O)Nc2nccn2Cc2ccccc2Cl)cc1[N+](=O)[O-] 609665071 XFAPNSGUZLHYHT-UHFFFAOYSA-N 446.916 4.374 5 20 IIBD O=C(COc1cc(Cl)c(Cl)cc1Cl)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 609851760 QVDLWVQKXYFWCU-SNVBAGLBSA-N 445.690 4.042 5 20 IIBD CC[C@@H](CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)Cc1cccc(Br)c1 609868402 RVCAMHAXYIXTHH-CQSZACIVSA-N 435.318 4.294 5 20 IIBD COCCCn1c(C)cc(C(=O)COc2ccc([N+](=O)[O-])cc2Br)c1C 609962498 IBKMAIVJTVLKTB-UHFFFAOYSA-N 425.279 4.074 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCCOc1ncc(C(F)(F)F)cc1Cl 610180731 PSFPZQAMDGDZNO-UHFFFAOYSA-N 438.189 4.053 5 20 IIBD CC(C)Sc1c(Cl)cccc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 610326778 PHTUVTWALWZXCD-UHFFFAOYSA-N 435.937 4.498 5 20 IIBD O=C(NC[C@H]1CCN(c2ccc(Cl)cc2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 611209214 GGNCXPWYDFXHOT-QGZVFWFLSA-N 428.920 4.449 5 20 IIBD O=C(O[C@H](C(=O)N1CCCCC1)c1ccccc1)c1cc([N+](=O)[O-])ccc1Br 725985942 ZSBXQGGCDIJZDA-SFHVURJKSA-N 447.285 4.268 5 20 IIBD CC[C@H]1CCc2nc(NS(=O)(=O)c3cc(Br)ccc3[N+](=O)[O-])sc2C1 727249744 DTHYIODBKBVGOS-VIFPVBQESA-N 446.348 4.130 5 20 IIBD CN(C)CCOc1ccc(N(C)C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1 732134713 GNAAPBLPNUGJOG-UHFFFAOYSA-N 448.523 4.424 5 20 IIBD Cc1c(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)nnn1-c1cccc([N+](=O)[O-])c1 733515031 YROMCLVWFHAEAU-HSZRJFAPSA-N 442.431 4.265 5 20 IIBD CC(C)(C)OC(=O)NC1(c2noc(CCOc3ccc(Cl)cc3[N+](=O)[O-])n2)CCC1 734976970 WXKBJBMGYLVEIP-UHFFFAOYSA-N 438.868 4.157 5 20 IIBD O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@H]1C[C@H]1c1cccc2ccccc12 735350828 UYRLMBQRUPOEBX-VQTJNVASSA-N 432.432 4.393 5 20 IIBD CC(C)CCSc1ccc(C(=O)O[C@H]2CCN(CC(F)(F)F)C2=O)cc1[N+](=O)[O-] 735704916 HZCZGCSLILSZEN-AWEZNQCLSA-N 434.436 4.053 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 739471992 UFRSKDZHNBBCEH-CABCVRRESA-N 432.502 4.350 5 20 IIBD CS[C@@H]1CC[C@H](NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 742739191 GGGYWBXYBDOKHU-GHTZIAJQSA-N 436.537 4.390 5 20 IIBD CC(C)(C)OC(=O)Cc1cccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1 743838202 RJZMZABQCRYUHY-UHFFFAOYSA-N 435.274 4.494 5 20 IIBD COC(=O)c1cccc(-c2nc(COC(=O)CSc3ccc([N+](=O)[O-])cc3)cs2)c1 744617564 AYZUZKKTRNTIQG-UHFFFAOYSA-N 444.490 4.340 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 745347852 PQXVXYOYTPTIAV-CABCVRRESA-N 439.251 4.196 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 746250709 MRYCZKRVUYFTMC-NBGIEHNGSA-N 444.506 4.409 5 20 IIBD COc1c(C)cnc(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1C 747671898 UKSMEWRDHYTLSF-MRXNPFEDSA-N 435.484 4.113 5 20 IIBD O=C(NCc1cccc(COCC(F)(F)F)c1)NCc1cc([N+](=O)[O-])ccc1Cl 749840476 XKBSKPFLSXMTBY-UHFFFAOYSA-N 431.798 4.327 5 20 IIBD Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1ccc(Br)cc1[N+](=O)[O-] 750818753 GQQAIAOGPMEKEW-SJLPKXTDSA-N 430.302 4.114 5 20 IIBD O=C(OCC(=O)N1c2ccccc2CCc2ccccc21)c1c(F)ccc([N+](=O)[O-])c1F 752558730 KVYLZZCODKMCNR-UHFFFAOYSA-N 438.386 4.493 5 20 IIBD C[C@@H](C(=O)Nc1cc2c(cc1Br)OCCO2)c1ccc([N+](=O)[O-])cc1F 754023993 BPGLOSMNNSJXSO-SECBINFHSA-N 425.210 4.010 5 20 IIBD O=C(NC[C@H]1CCN(CCc2ccccc2)C1)Nc1ccc(Br)c([N+](=O)[O-])c1 755029066 KPKSHFHXYKBELB-MRXNPFEDSA-N 447.333 4.043 5 20 IIBD Cc1ccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)c(Br)n1 755894595 LOXZPFIHFVJIGG-UHFFFAOYSA-N 432.196 4.265 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)C[C@H](O)c1ccsc1 759681637 XZZBDYWPOBHBSI-NRFANRHFSA-N 425.510 4.144 5 20 IIBD Cc1ccc(C(=O)CC(C)(C)CC(=O)OCC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 759833883 ZXDIRPSICBSLKW-UHFFFAOYSA-N 426.469 4.383 5 20 IIBD O=C(COCc1nc2ccccc2s1)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760487274 WZINUZALKGJOKR-UHFFFAOYSA-N 425.422 4.120 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 765083370 ZXINGBAUVUFVKD-QGZVFWFLSA-N 427.457 4.142 5 20 IIBD NC(=O)c1cc(Oc2cccc(OC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)c2)ccn1 766636872 HPOXSFSVJFZJEB-UHFFFAOYSA-N 447.325 4.119 5 20 IIBD O=C(OCc1nc(-c2cc(F)c(F)c(F)c2)no1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 768034429 GQHHBPQKYWUIRE-UHFFFAOYSA-N 447.247 4.438 5 20 IIBD O=C(COC(=O)c1ccc(Br)cc1Br)c1cccc([N+](=O)[O-])c1 768633289 LOEJGEZSIHIZDZ-UHFFFAOYSA-N 443.047 4.160 5 20 IIBD CC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@H]1NC(=O)OC(C)(C)C 770000581 AXIRUZQCENQZPC-IUODEOHRSA-N 426.901 4.405 5 20 IIBD Cc1cc2c(N3CCC[C@@H]3C(=O)OCc3ccc(Cl)c([N+](=O)[O-])c3)ncnc2s1 770552119 DGOBEYWJZRNHGC-OAHLLOKOSA-N 432.889 4.274 5 20 IIBD O=C(OCCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cnc(Oc2ccccc2)cn1 773773088 QMPWMCVWMCNREF-UHFFFAOYSA-N 449.341 4.432 5 20 IIBD C[C@@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 775189548 CFSUISQTNUEUHP-OAHLLOKOSA-N 436.443 4.276 5 20 IIBD C[C@@H](CC(=O)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])NC(=O)C1CCCCC1 776131955 GHLQQCVXRLASCI-AOMKIAJQSA-N 425.485 4.098 5 20 IIBD CCc1ccccc1N1C[C@H](C(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])CC1=O 776134513 CFUNGMVDFWDAID-NTKDMRAZSA-N 445.475 4.238 5 20 IIBD COc1cc(N2CCC(OC(=O)c3oc(-c4ccccc4)nc3C)CC2)ccc1[N+](=O)[O-] 779219983 OARYXSKIGXXDBL-UHFFFAOYSA-N 437.452 4.393 5 20 IIBD COc1cc(COC(=O)c2cc3ccccc3c(OC)n2)c([N+](=O)[O-])cc1OCC(F)F 780065574 WVUDGJBNBRCYBY-UHFFFAOYSA-N 448.378 4.161 5 20 IIBD CC1=C(C(=O)Nc2cccc(C)c2)[C@@H](c2ccc([N+](=O)[O-])s2)NC(=O)N1CC1CC1 782248205 NVMATBMWVDDBOU-LJQANCHMSA-N 426.498 4.354 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)Nc2cccc3c2CCCC3)cc1[N+](=O)[O-] 782845419 PGCATOGUGBCABN-UHFFFAOYSA-N 432.274 4.122 5 20 IIBD Cc1cc(-c2ncccc2NC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cs1 782924753 SAYOMRYUJNPWOZ-ZDUSSCGKSA-N 440.456 4.157 5 20 IIBD O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 783480473 BPLAHSJNQLERMO-UHFFFAOYSA-N 437.283 4.469 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)CN1C[C@H](c2cc(F)c(F)c(F)c2)CC1=O 787214174 RMSXUTJQOODXGK-GFCCVEGCSA-N 427.810 4.071 5 20 IIBD O=C(NCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1)OCc1ccccc1 787967550 JFXKZGSLTKLGGE-UHFFFAOYSA-N 431.876 4.027 5 20 IIBD C[C@H](N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccc(N)c([N+](=O)[O-])c1 788710290 HDHAFSBLQDUICK-UGSOOPFHSA-N 436.434 4.038 5 20 IIBD O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H](Cc2ccccn2)c2ccc(Br)cc2)c1 789447004 NRYOGVPODFJFFP-SFTDATJTSA-N 442.313 4.359 5 20 IIBD CC(C)(C)OC(=O)NCCC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)c1ccccc1 794277027 ZZIPADYRTBIAQW-GOSISDBHSA-N 446.479 4.092 5 20 IIBD CCOc1ccc([C@H](O)C2CCN(C(=O)CCOc3cc(C)ccc3[N+](=O)[O-])CC2)cc1 794535689 SYNYXQQZMFGQBJ-DEOSSOPVSA-N 442.512 4.043 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 794750009 AJHMYNMYAKSIMB-UHFFFAOYSA-N 443.353 4.148 5 20 IIBD COc1ccc(CSCC(=O)OCC(=O)c2csc3ccccc23)cc1[N+](=O)[O-] 795427638 QZKXKHKNIBHIOF-UHFFFAOYSA-N 431.491 4.477 5 20 IIBD Cc1nc(SC(F)F)sc1CC(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 795945758 ZKBCEPHXWJETON-UHFFFAOYSA-N 442.425 4.010 5 20 IIBD O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CC[C@@H](c2ccccn2)C1 798714711 QYTMPUYMGDZZGS-MRXNPFEDSA-N 448.445 4.241 5 20 IIBD Cc1sc(Br)c(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1C 799542904 DPIKXGMIKUOQNY-VIFPVBQESA-N 427.276 4.220 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(CCc1ccc(Cl)cc1)CC1CC1 800630889 RUPXXQBIRAJOBM-UHFFFAOYSA-N 433.867 4.116 5 20 IIBD Cc1nc(-c2ccccn2)nc(N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c1C 804702759 FXIMUWLUYMPDFV-UHFFFAOYSA-N 440.301 4.389 5 20 IIBD C[C@H](CN(C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[C@@H](C)CO)c1ccccc1 806366867 FEUXKIKDFOQKKB-KGLIPLIRSA-N 436.306 4.376 5 20 IIBD O=C(N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 809186338 KSTGEHLWNVCMPO-INIZCTEOSA-N 446.328 4.185 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](C2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)C1 810945809 LPRGSSDWJZXPFK-HNNXBMFYSA-N 437.924 4.357 5 20 IIBD Cc1nn(C)c(Br)c1C(=O)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 812946935 FIUCSAUXBVXSMB-UHFFFAOYSA-N 427.686 4.109 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C)C(=O)Nc1cc(Cl)ccc1F 856620139 BDOPXXBOGLHRTD-MNOVXSKESA-N 426.853 4.438 5 20 IIBD Cc1ccc(Cl)c(OCC(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)c1 864242511 IIPBUSVBQVKFHR-UHFFFAOYSA-N 444.875 4.423 5 20 IIBD Cc1cc(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)n1-c1nccs1 915387876 HTMTZWRMXPWLBH-CYBMUJFWSA-N 439.453 4.427 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(C)[C@H](C)c1ccc(C(F)(F)F)cc1 915663301 JIWBONOXURIKPG-GFCCVEGCSA-N 440.374 4.033 5 20 IIBD CCC[C@@H](NC(=O)[C@@H](C)OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccc1 917219162 ASEMRLNYXCDLIN-YLJYHZDGSA-N 439.512 4.398 5 20 IIBD C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 917674526 VWZJZDVREDXFRP-CYBMUJFWSA-N 448.882 4.453 5 20 IIBD CCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)c(C)c1 918663653 VSWFWCOLLNYPFM-OAHLLOKOSA-N 429.448 4.213 5 20 IIBD C[C@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 919211431 NLXLSYOYRBSYQO-LURJTMIESA-N 444.268 4.221 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCc1ccc(C(F)(F)F)cn1 1124010022 HQVHNLCRKJRARN-UHFFFAOYSA-N 432.196 4.052 5 20 IIBD O=[N+]([O-])c1cc(Cl)c2ncnc(N3CCC(c4n[nH]c(-c5ccccc5)n4)CC3)c2c1 1326405794 HERZGWHZYZKASC-UHFFFAOYSA-N 435.875 4.361 5 20 IIBD C[C@H](Oc1ccc2ccccc2c1)c1nnc(CCNC(=O)c2ccc([N+](=O)[O-])cc2)o1 1328230920 DYVYEUMTWVNODX-HNNXBMFYSA-N 432.436 4.244 5 20 IIBD Cc1nocc1C(=O)Nc1ccc(C2(NC(=O)c3cccc(F)c3[N+](=O)[O-])CCC2)cc1 1787461897 ZEECRZUSQXLZPJ-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)NC1(c2ccc(NC(=O)[C@@H]3CCC=CO3)cc2)CCC1 1789498016 KQSYBHPCPFWGNH-JARZOMNASA-N 437.452 4.028 5 20 IIBD Cc1ccc(Cl)c(OCC(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 9447645 LWYOGJWBRRYEPB-LLVKDONJSA-N 427.240 4.159 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ccccc1OC(F)F 10262411 GVBBKAFWVQBAGO-UHFFFAOYSA-N 448.348 4.126 5 20 IIBD COc1cc(C(=O)NCc2ccc(CN3CCCCC3)cc2)c([N+](=O)[O-])cc1OC(F)F 11915539 FZUXHHXXDJYOLS-UHFFFAOYSA-N 449.454 4.121 5 20 IIBD O=C(c1ccccc1)c1ccc(Sc2nnc(NC[C@H]3CCCO3)s2)c([N+](=O)[O-])c1 15140942 ASAYRXVYIXZIMQ-OAHLLOKOSA-N 442.522 4.419 5 20 IIBD Cc1ccc(CC(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 17949011 SFCAHMJQKNIRHV-CQSZACIVSA-N 425.466 4.140 5 20 IIBD Cn1cc([N+](=O)[O-])cc1C(=O)Oc1ccc(NC(=O)c2ccccc2Br)cc1 22377892 UNAWHSSQXLYJQH-UHFFFAOYSA-N 444.241 4.167 5 20 IIBD CCCn1c(SCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)nc2cc(Cl)ccc21 26498072 QRQLRCAHVGBPKV-UHFFFAOYSA-N 448.888 4.467 5 20 IIBD O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)c1cc2cc([N+](=O)[O-])ccc2s1 29805265 LANHNRCKNZKGAI-GOSISDBHSA-N 445.928 4.266 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nc2ccccc2c1=O 36792013 GUFNHOVLKBZZJA-LLVKDONJSA-N 432.889 4.097 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OCc2ccccc2F)cc1 64511824 GGJCJWSKFXNYIO-HNNXBMFYSA-N 437.427 4.070 5 20 IIBD O=C(Nc1cc(N2CCCC2=O)ccc1Cl)c1ccc(Br)c([N+](=O)[O-])c1 71895288 IOSROIGHEAYVSU-UHFFFAOYSA-N 438.665 4.390 5 20 IIBD COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)N2CCOCC2)cc1 72027282 AINVYHWEFFTPHC-LJQANCHMSA-N 425.407 4.108 5 20 IIBD Cc1ccc(-c2nc(NC(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)sc2C)s1 78416262 QBQHBDPOELHBPE-UHFFFAOYSA-N 437.524 4.052 5 20 IIBD COc1ccc(NC(=O)CN2CCC[C@H]2c2cccc(Br)c2)c([N+](=O)[O-])c1 108138290 NGIKFCHNDMMZKF-KRWDZBQOSA-N 434.290 4.142 5 20 IIBD C[C@H]1CN(C[C@H]2CCCN2C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C[C@@H](C)O1 195661783 BIBNWZGFWXUSBE-LVCYWYKZSA-N 438.528 4.052 5 20 IIBD CNS(=O)(=O)c1ccc([C@@H](C)NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1 237389255 PLTLMPUJIJJTQW-CQSZACIVSA-N 431.539 4.082 5 20 IIBD COc1cc(F)c([C@H](C)Nc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)cc1OC 301264692 HWGGRZXUUSCPNI-NSHDSACASA-N 448.838 4.124 5 20 IIBD Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N[C@@H](C)c3ccccc3)c2)cc1[N+](=O)[O-] 301317110 YJCFVMJDFAGZJA-INIZCTEOSA-N 439.493 4.195 5 20 IIBD C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 426273441 HBJYZCBKQMGZJM-FCJAZMSBSA-N 443.447 4.254 5 20 IIBD O=C(O)Cc1ccccc1CNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 426709181 PWRCNNJPVNRQDF-UHFFFAOYSA-N 442.475 4.364 5 20 IIBD COc1cccc([C@H](CC(=O)O)NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)c1OC 426826337 DTJWPLWYBMCZAQ-KRWDZBQOSA-N 426.425 4.178 5 20 IIBD CCn1nc(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)cc1C1CC1 427230515 FROBXKMPSCQXOU-UHFFFAOYSA-N 429.527 4.857 5 20 IIBD O=C(Nc1c(-c2ccncc2)nc2ccccn12)C1CCN(c2ccccc2[N+](=O)[O-])CC1 430633481 PQNBYQBURWWMKW-UHFFFAOYSA-N 442.479 4.160 5 20 IIBD Cc1ccc(Cc2nnc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])s2)cc1 430925815 DXEDEQOSYJLAJZ-UHFFFAOYSA-N 433.287 4.360 5 20 IIBD O=C(Nc1ccc2c(c1)ncn2-c1ccccc1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 433269706 AXIUHZPOXRUIPE-UHFFFAOYSA-N 425.404 4.440 5 20 IIBD COc1ccc(CCC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1Br 437092406 DNJSUSDWZKNQML-UHFFFAOYSA-N 433.302 4.490 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)cc1SC 437281454 UQVGXRSUSLKWNZ-GXTWGEPZSA-N 437.315 4.374 5 20 IIBD O=C(NCc1nn(-c2ccccc2)c2c1CCC2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 438001170 IXABSSSPHLZZPG-UHFFFAOYSA-N 431.496 4.143 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(OCC(F)(F)F)c(OC)c1 439908037 CEBXFNCIHKLHEU-UHFFFAOYSA-N 443.378 4.265 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 443638122 IBNTZSPDHTVVRJ-KBPBESRZSA-N 442.447 4.090 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H](Oc2ccccc2Cl)C1 443648284 FJXYRFDYEFKPEK-MRXNPFEDSA-N 433.892 4.129 5 20 IIBD COc1ccc(OC)c(CCCNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1 444250808 SKRSSRIJULKZHA-UHFFFAOYSA-N 434.467 4.200 5 20 IIBD CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC 444782874 RRDQBDNAVBZJTI-UHFFFAOYSA-N 444.488 4.261 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2F)no1 445458560 VCIWTMDBONVCHV-SECBINFHSA-N 435.209 4.037 5 20 IIBD O=[N+]([O-])c1ccc(Cc2nc(O)c3c4c(sc3n2)CSCC4)c(Br)c1 445646823 CMYSJPPBKQXCDT-UHFFFAOYSA-N 438.328 4.448 5 20 IIBD O=[N+]([O-])c1ccc(Cc2nc(Cc3ccc(OCC(F)(F)F)nc3)no2)c(Cl)c1 446018315 HRLCMDHTGWRQFA-UHFFFAOYSA-N 428.754 4.149 5 20 IIBD CCN(C(=O)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)ccc1Cl)C(C)C 447278963 PHOFFKFYAJYABF-UHFFFAOYSA-N 439.921 4.228 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-n2cnnc2O)c1C 461087438 ZDVFPQFIDPKPGY-UHFFFAOYSA-N 427.486 4.334 5 20 IIBD CC(C)Oc1ccc(N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCOC2)cc1 461532007 IXGWAELTKRDAJX-KRWDZBQOSA-N 437.500 4.445 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 462498679 FBNKEDOXCTYQCZ-PGRDOPGGSA-N 445.947 4.007 5 20 IIBD O=C(N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1(c2ccc(Cl)cc2)CCOCC1 464664809 QCFKUSLBZHSFAM-UHFFFAOYSA-N 444.915 4.366 5 20 IIBD COc1cc(CCNC(=O)N2CCC[C@@H]2c2cccc(C)c2C)c([N+](=O)[O-])cc1OC 465619442 QSLZYGNUSGXGHU-LJQANCHMSA-N 427.501 4.318 5 20 IIBD COc1cc(OC)cc(N2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)c1 467400105 JCYHPOQTSYCOEZ-UHFFFAOYSA-N 434.880 4.010 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 468074227 HQSHCKGTGBAWOM-LJQANCHMSA-N 435.505 4.053 5 20 IIBD CCCN([C@@H](C)c1cc2ccccc2o1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC 468787586 BJTQACAAQZKALE-AWEZNQCLSA-N 446.481 4.290 5 20 IIBD Cc1cnn(Cc2ccccc2F)c1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 470199974 ILYDVOMTTXCDFL-UHFFFAOYSA-N 447.264 4.231 5 20 IIBD Cc1ccc(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c(OCC(F)(F)F)c1 470341911 IEKPJQRLXYAJOS-UHFFFAOYSA-N 425.363 4.139 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 470712916 GVYCOOYSVHQBJY-KRWDZBQOSA-N 447.278 4.381 5 20 IIBD Cn1c(C(C)(C)NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])nc2ccccc21 472025571 PGQYFFVGMJSYCO-UHFFFAOYSA-N 436.390 4.088 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2cc([C@H]3CCCOC3)[nH]n2)cc1[N+](=O)[O-])c1ccccn1 473406355 BSTMPQMJEZFIFO-ZBFHGGJFSA-N 436.472 4.032 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3ccc(SC4CC4)cc3)CC2)ccc1[N+](=O)[O-] 477381203 RRKPTGUDGVUWKF-UHFFFAOYSA-N 427.526 4.210 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H](CO)c1c(Cl)cccc1Cl 478438111 WXHLOODITMAZGV-CYBMUJFWSA-N 433.675 4.174 5 20 IIBD O=C(N[C@@H](CO)c1c(Cl)cccc1Cl)c1cc(Br)cc([N+](=O)[O-])c1 478438407 XYQAAARMMPTBOQ-ZDUSSCGKSA-N 434.073 4.128 5 20 IIBD O=[N+]([O-])c1cc(I)ccc1OCc1nc(C(F)(F)F)cs1 478899572 HILYNLYAXZRHGN-UHFFFAOYSA-N 430.145 4.254 5 20 IIBD O=C(NCc1ccnc2ccnn12)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 479417095 FJPOHIXFKFQNBZ-UHFFFAOYSA-N 439.884 4.372 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Br 480238049 SKVAUZRQRARLND-MRVPVSSYSA-N 449.227 4.224 5 20 IIBD CC(C)c1[nH]nc(C(=O)N[C@H](c2cc(F)cc(Br)c2)C2CC2)c1[N+](=O)[O-] 482026973 POKIQNBHJLBNEJ-AWEZNQCLSA-N 425.258 4.224 5 20 IIBD CCc1nc(CN2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCC(C)C)CC2)cs1 484081129 PKTCSARNFKJTEC-UHFFFAOYSA-N 448.614 4.320 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 484364475 DZGCVEPWUVUMEE-UHFFFAOYSA-N 426.448 4.313 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NC2CCN(Cc3ccccc3C)CC2)cc1SC 484669657 OAFUVZAGEDKJEF-UHFFFAOYSA-N 429.542 4.028 5 20 IIBD CC(C)c1c(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cnn1-c1ccccc1 486879193 KQECYLVMJFXPMC-UHFFFAOYSA-N 434.500 4.258 5 20 IIBD C[C@@H](c1ccccc1Cl)N(C)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 488893324 SNBYOLAKZGIRKW-JTQLQIEISA-N 433.711 4.392 5 20 IIBD CNC(=O)c1ccc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1Cl 489986501 ZYNAGQNSQOJVSR-ZIAGYGMSSA-N 444.919 4.342 5 20 IIBD CCNc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1[N+](=O)[O-] 490913863 YOQIDBOZBMZTKN-UHFFFAOYSA-N 437.481 4.287 5 20 IIBD COc1cc(CNc2cccc(C(=O)N3CCCC3)c2C)c([N+](=O)[O-])cc1OCC(F)F 491036592 MVWSPWOTVWVEFC-UHFFFAOYSA-N 449.454 4.404 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](CC(C)(C)C)c1ccc(Cl)cc1 493527004 OARMKCKZXADBEH-QGZVFWFLSA-N 433.892 4.489 5 20 IIBD O=C(N[C@H]1CCc2ccc(-c3ccccc3)cc21)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 494488475 AMXHUVROQJRNLF-NRFANRHFSA-N 425.448 4.260 5 20 IIBD CC(C)[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1nc(C2CC2)no1 494909649 PASJEDXJAWSCSU-AWEZNQCLSA-N 427.383 4.071 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCc2ncc(-c3ccccc3)[nH]2)cc1[N+](=O)[O-])c1ccccn1 497523717 OVJALMJRYIVFNT-INIZCTEOSA-N 442.479 4.483 5 20 IIBD CCOC(=O)c1cnn(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)c2)c1C 497924376 MYCRCSOVJKNTLE-UHFFFAOYSA-N 445.435 4.066 5 20 IIBD O=C(c1coc(-c2ccc(Br)cc2F)n1)N1CCc2cc([N+](=O)[O-])ccc21 498236156 FWHMTKUOOYPADX-UHFFFAOYSA-N 432.205 4.354 5 20 IIBD Cc1cccc(NC(=O)CSCC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 499492804 TXORMBGELOMZJM-UHFFFAOYSA-N 427.404 4.232 5 20 IIBD O=[N+]([O-])c1cc(-c2nc([C@@H]3CN(Cc4ccccc4)CCO3)no2)cc(C(F)(F)F)c1 500825822 GWAYQLBCRUODQM-KRWDZBQOSA-N 434.374 4.237 5 20 IIBD CN(C)C(=O)COc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c1 501913751 FECLAYJJGRDCDE-UHFFFAOYSA-N 435.436 4.106 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1 502999741 MIRGPFFAQUZZFC-HXUWFJFHSA-N 441.553 4.060 5 20 IIBD COc1cc(C(=O)N2CCC[C@H]2C[C@@H](C)O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 504747037 XPFALHSRVVTLPT-CJNGLKHVSA-N 434.876 4.425 5 20 IIBD CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1 506771362 DHXKHNVTGDXSNL-UHFFFAOYSA-N 436.468 4.168 5 20 IIBD CCN(CCc1cccs1)C(=O)c1cc([N+](=O)[O-])cc(I)c1C 509084578 RLNJEDYXUJISCI-UHFFFAOYSA-N 444.294 4.274 5 20 IIBD Cc1ccc(C(=O)N2CCC(NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)CC2)cc1 509726658 GCUCHCPWHRFIAW-UHFFFAOYSA-N 438.528 4.128 5 20 IIBD COc1cc(CCNC(=O)Nc2ccccc2OC2CCCC2)c([N+](=O)[O-])cc1OC 510416091 VQUBRCRUQLMLHJ-UHFFFAOYSA-N 429.473 4.298 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC1(c2cccc(Br)c2)CC1 511404668 BTADCNQBNRRCSR-UHFFFAOYSA-N 432.318 4.273 5 20 IIBD O=C(NC1CC1)c1ccc(N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c([N+](=O)[O-])c1 511670705 JBQXIBVZASIPBC-SFHVURJKSA-N 448.445 4.192 5 20 IIBD C[C@H](Nc1ccc(NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)cc1)c1ccccc1 513576614 LVOXJJJJWNCYAJ-HNNXBMFYSA-N 439.493 4.424 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N2CCC(Oc3cc(C)ccc3C)CC2)c([N+](=O)[O-])c1 513649513 ZFAYDVQTGGZNFS-KRWDZBQOSA-N 427.501 4.091 5 20 IIBD O=C(N[C@H](C(=O)Nc1ccccc1)c1ccccc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 513664763 ZKCMRSWNFSQEIX-IBGZPJMESA-N 441.390 4.306 5 20 IIBD COc1ccc(CN2CC[C@H](N3CCCCC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 513750412 HQBLWGUQCHNLIF-QFIPXVFZSA-N 425.529 4.243 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(c3nc4cc(Cl)ccc4s3)CC2)n1 515391913 ILWXDWVLEZWWDH-UHFFFAOYSA-N 432.889 4.424 5 20 IIBD CC[C@@H](C)n1ncc2c(C(=O)Nc3cc(C)nn3-c3ccc([N+](=O)[O-])cc3)cc(C)nc21 521085949 GIORPEOLAIEACU-OAHLLOKOSA-N 433.472 4.365 5 20 IIBD CC(=O)Nc1cccc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c1 522879736 WVPXBHFNEWPFJI-UHFFFAOYSA-N 434.239 4.298 5 20 IIBD COc1ccc(OC2CCN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)cc1 523303228 KHIFAUWCFUBOEQ-UHFFFAOYSA-N 439.493 4.411 5 20 IIBD CC[C@H](C(=O)N1CCC(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 523531859 AZHJQIMCIWBOBD-QFIPXVFZSA-N 437.540 4.173 5 20 IIBD COc1ccc(CC[C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1OC 523544816 XMPDYYDXLNRNKK-GOSISDBHSA-N 448.541 4.096 5 20 IIBD COc1ccccc1CN(Cc1cccs1)C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 524087762 ORYQCNGYDMGKOM-UHFFFAOYSA-N 426.494 4.445 5 20 IIBD O=c1c(Cl)c(N2CCC(OCC3CCCCC3)CC2)cnn1-c1ccc([N+](=O)[O-])cc1 524681239 HPDSHPZLWPFGEH-UHFFFAOYSA-N 446.935 4.360 5 20 IIBD O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1)c1cc2c(cc1[N+](=O)[O-])OCO2 530560308 VWWCYORBUFXORM-GFCCVEGCSA-N 438.267 4.029 5 20 IIBD O=C(Nc1ccccc1N1CCC(CO)CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 534255806 BIXHUANOHGOBPQ-UHFFFAOYSA-N 438.509 4.179 5 20 IIBD O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 536509280 PIKMCEGZDUJRRI-UHFFFAOYSA-N 431.370 4.229 5 20 IIBD Cc1nc([C@@H](NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2)no1 536525752 PTWOVSHYDPDULX-GTNSWQLSSA-N 432.889 4.326 5 20 IIBD C[C@H](CS(C)(=O)=O)N(Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C1CC1 536677073 YDTJWSYFWLJPSP-CQSZACIVSA-N 438.933 4.438 5 20 IIBD CC(C)C[C@H](C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1)N1CCCCC1=O 537148521 GCJWJVAHMDHCMD-GOSISDBHSA-N 430.530 4.108 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2nnc3n2CCC3)C1 537472316 VUYIIDCYMITCOW-HNNXBMFYSA-N 429.546 4.045 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCC[C@H]1C1CCOCC1 537518690 PPWMYJQRCZLZKK-KRWDZBQOSA-N 439.299 4.119 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 538239745 DBOAZZKGJCDVOW-GEWABHDNSA-N 425.268 4.315 5 20 IIBD CCOc1ccc(C(=O)N[C@H](Cc2ccc(O)cc2)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] 539026809 VBVKMMADNNZPCP-HXUWFJFHSA-N 446.463 4.289 5 20 IIBD O=C(Nc1ccc(Nc2ccccc2)nc1)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 539450203 VUWNMOCNTIYYOP-UHFFFAOYSA-N 433.453 4.255 5 20 IIBD COc1cc(CN[C@H](C)c2nc(Cc3ccccc3)no2)c([N+](=O)[O-])cc1OC(F)F 541685370 PKWFYJOGOPHZGY-GFCCVEGCSA-N 434.399 4.029 5 20 IIBD C[C@H](Cc1cc(Br)ccc1F)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F 542527650 ZGBYEBMUBRKWRH-GHMZBOCLSA-N 427.245 4.486 5 20 IIBD C[C@@H](C(=O)NC(C)(C)COc1ncccc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1F 543458316 VRVSZFVKQIXUPZ-LLVKDONJSA-N 429.370 4.225 5 20 IIBD C[S@](=O)Cc1noc(-c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)n1 545020834 VFQMRNFLZPTBPU-NDEPHWFRSA-N 432.508 4.284 5 20 IIBD Cc1ccc(F)cc1-c1noc(-c2ccc([N+](=O)[O-])cc2I)n1 545705848 QUSKOVVXHVVBOR-UHFFFAOYSA-N 425.157 4.364 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1nc(Cc2ccc(OCc3ccccn3)cc2)no1 546277523 REYKLTAZTCGGEF-UHFFFAOYSA-N 431.452 4.197 5 20 IIBD CC(C)NS(=O)(=O)c1cccc(-c2noc([C@@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)c1 546406326 YADDXCMNILXPPZ-CYBMUJFWSA-N 448.526 4.185 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N(CCc2ccccn2)Cc2ccc(OC)cc2)c1 549275787 XZMCMURGVHXSTF-UHFFFAOYSA-N 435.480 4.282 5 20 IIBD C[C@H](NC1(Cc2ccc(F)cc2Cl)CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 550409646 SMDONROSFDTOPH-AWEZNQCLSA-N 435.883 4.096 5 20 IIBD COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 553597971 NVECTRQBFYCCDO-FQEVSTJZSA-N 447.491 4.487 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 554973701 LSKHMHWIKCVBNY-LJQANCHMSA-N 435.402 4.001 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])c1nnc(Cc2ccccc2Cl)n1C[C@@H]1CCOC1 555445902 WPZMPZNKUDQZOK-INIZCTEOSA-N 441.919 4.103 5 20 IIBD COc1ccc(OC[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)c([N+](=O)[O-])c1 559284700 CCWQHBJCUMHWNU-LJQANCHMSA-N 445.418 4.428 5 20 IIBD COc1cc(Cc2noc(COc3ccc4c(c3)CCCC4)n2)c([N+](=O)[O-])c(OC)c1 559916888 HROFXVAUZUEZPC-UHFFFAOYSA-N 425.441 4.044 5 20 IIBD CC(C)c1nccn1Cc1cccc(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c1 576499939 OCOSEUJVZSIFOS-UHFFFAOYSA-N 435.484 4.390 5 20 IIBD O=C(Nc1ccc(OC(F)F)cc1OC(F)F)N1CCOc2ccc([N+](=O)[O-])cc2C1 576911493 PXRXTAJTTCOEBG-UHFFFAOYSA-N 445.325 4.224 5 20 IIBD Cc1ccc(Cl)c2sc(NC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)nc12 583832679 KQWRWNXKICUVRS-UHFFFAOYSA-N 432.889 4.255 5 20 IIBD O=C(NCc1ccccc1Oc1ccccc1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 586837811 ZNTYCNNHOIWZQC-UHFFFAOYSA-N 445.475 4.195 5 20 IIBD O=C(N[C@@H]1CC[C@@](O)(C(F)(F)F)C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 590433805 SXVUYKPAIICJNS-ACJLOTCBSA-N 426.416 4.322 5 20 IIBD O=C(Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 600814795 RMXZAQPZVIYPAW-UHFFFAOYSA-N 434.431 4.452 5 20 IIBD O=C(c1csc([N+](=O)[O-])c1)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 603753800 AXQPFONHVQHBFS-UHFFFAOYSA-N 431.514 4.482 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)cc1OC 603771916 PBXNKJSUQSUCOC-HXUWFJFHSA-N 434.464 4.285 5 20 IIBD COc1cc(OCC(=O)N(Cc2csc(C)n2)c2ccc(F)cc2)ccc1[N+](=O)[O-] 604456343 JXHCZLHSKLMASV-UHFFFAOYSA-N 431.445 4.120 5 20 IIBD CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 604519281 ZEKCTTVMXPCCSX-URXFXBBRSA-N 437.540 4.438 5 20 IIBD COc1cc(C(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)ccc1[N+](=O)[O-] 608817371 COIWIRJAIKABHC-HNNXBMFYSA-N 442.859 4.327 5 20 IIBD CCN(C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[C@@H](c1ccc(C)cc1)c1cccnc1 609580161 WCUYHNOBXKPHEE-QFIPXVFZSA-N 433.464 4.321 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2ccccc2OC(C)(C)C)cc1[N+](=O)[O-] 609657565 LDFIOEWRDSNBFB-UHFFFAOYSA-N 427.486 4.304 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 609665038 UUGZRRQTUUFEBX-CQSZACIVSA-N 425.432 4.101 5 20 IIBD COc1ccccc1[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)N1CCCCC1 609792816 ZCLXNDBULPKPHC-FQEVSTJZSA-N 431.920 4.143 5 20 IIBD O=[N+]([O-])c1ccccc1-c1ccc(CNc2ccc3nc(CCN4CCOCC4)[nH]c3c2)o1 610910698 IAOSFELTWVYHRC-UHFFFAOYSA-N 447.495 4.218 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(F)cc2OC2CCCC2)cc1OC 610912185 GDPJKKATLNHGCR-UHFFFAOYSA-N 448.447 4.341 5 20 IIBD Cc1ccnc(NC(=O)CN(C)C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)c1 611202751 HKOXKUMYUSNADB-UHFFFAOYSA-N 428.514 4.044 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@@H](C[C@H]2CCOC2)C1 611356007 OVTPQRDTQODDSN-LSDHHAIUSA-N 429.439 4.081 5 20 IIBD Cc1ccc([C@H](NC(=O)COC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])c2cccs2)cc1 725935559 METXBXDUOJAJNK-FQEVSTJZSA-N 446.431 4.306 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc3c(c2)CCN3C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 726511833 YSOUKUUNBOTIHN-UHFFFAOYSA-N 442.428 4.361 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cccc(CC[C@@H](O)c3ccccc3)c2)cc1[N+](=O)[O-] 727361811 FKFIFORKMRKEPG-JOCHJYFZSA-N 426.494 4.370 5 20 IIBD O=C(COC(=O)C1(c2cccc(C(F)(F)F)c2)CC1)Nc1cc([N+](=O)[O-])ccc1Cl 727560580 YWZGODKCMVREMO-UHFFFAOYSA-N 442.777 4.481 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c(N)c([N+](=O)[O-])c1 727900600 WLPOITXWISCQDR-UHFFFAOYSA-N 432.647 4.241 5 20 IIBD O=C(Nc1ccc(Oc2ccc(F)cc2)cn1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 729382708 UVMTVDAMUFBCOP-UHFFFAOYSA-N 438.415 4.010 5 20 IIBD Cc1ccccc1[C@H]1CCN(C(=O)c2ccc(I)c([N+](=O)[O-])c2)C1 730494229 YTMONXXMLSBOOM-AWEZNQCLSA-N 436.249 4.138 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1ccccc1CS(=O)(=O)c1ccccc1 731165066 YRNDRNBQPGHTEX-UHFFFAOYSA-N 432.404 4.099 5 20 IIBD CCN(CC)C(=O)C1=C(C)N(Cc2cccs2)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 732011502 OPOGFPCLNBKGQL-LJQANCHMSA-N 428.514 4.065 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1 733250448 CUWJEWSMJBBFMP-UHFFFAOYSA-N 434.861 4.194 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)OCc1nc(-c2ccc(Br)s2)no1 734024210 INASKOYJYWSBCA-BAQGIRSFSA-N 436.243 4.225 5 20 IIBD CCOc1cc(C(=O)OC[C@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC 734298505 DFQRBSDSLLJUGN-SFHVURJKSA-N 428.485 4.071 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H](c2ccccc2)C2CCOCC2)cc1[N+](=O)[O-] 734349555 HKDZPMOAOIQFCU-QFIPXVFZSA-N 430.526 4.121 5 20 IIBD O=C(O[C@@H]1CCCN(c2cccc(F)c2)C1=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 734580523 BNQXHJQSKJHQCT-GOSISDBHSA-N 441.440 4.210 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)Cc1cc(F)ccc1F)c1cccc([N+](=O)[O-])c1 742556349 HZBOFMDGDPZURC-GOSISDBHSA-N 432.423 4.044 5 20 IIBD COc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])cc1N1CCNC1=O 744071944 OCRPZFIFXDUBCR-UHFFFAOYSA-N 433.420 4.019 5 20 IIBD CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cccc(Cl)c1[N+](=O)[O-] 750160211 FYHHINAJCRAXHR-UHFFFAOYSA-N 429.782 4.368 5 20 IIBD C[C@@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 752923933 GUGSPGIXTDFOKV-CVEARBPZSA-N 434.537 4.165 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 753039133 QVEQNZKANSSMCZ-NXHRZFHOSA-N 432.521 4.148 5 20 IIBD CC(C)C(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 755062173 JOVCZIJVJPMAIP-KBPBESRZSA-N 430.432 4.247 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@@H](C)c1cc(F)cc(F)c1 756325456 PLQRXUUCNBOTOZ-KPZWWZAWSA-N 438.452 4.029 5 20 IIBD CN(Cc1ccccc1)CC1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 756966618 CLFVQVLRRPZMPA-UHFFFAOYSA-N 430.936 4.302 5 20 IIBD Cc1ccc(-c2nc(C(=O)O[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cs2)n1C 758570823 DYGVEDSZQAOWER-LLVKDONJSA-N 448.888 4.203 5 20 IIBD CC(=O)c1ccc(N2CCC(OC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)CC2)cc1 763011679 BQVQZOOJOVVQBL-UHFFFAOYSA-N 428.460 4.426 5 20 IIBD C[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 764389323 XOIBLYYXQMSLON-SJLPKXTDSA-N 446.548 4.304 5 20 IIBD CCOc1ccc(CN(C)Cn2nc(-c3ccc([N+](=O)[O-])cc3)n(CC)c2=S)cc1 764850232 ZNYMOPMUTCYYHA-UHFFFAOYSA-N 427.530 4.497 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2C[C@H](C)OC[C@H]2c2ccccc2)c1=S 765047733 AHLIAGNETNLUHA-JXFKEZNVSA-N 439.541 4.429 5 20 IIBD O=C([C@@H](O)c1cc(Cl)cc(Cl)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 765117838 UYSHHVMTLZSFBH-SFHVURJKSA-N 425.268 4.005 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(OCc2ccc(-c3ccsc3)cc2)c([N+](=O)[O-])c1 767062248 SQKBRYQIRKGJLH-UHFFFAOYSA-N 434.451 4.214 5 20 IIBD COc1cccc(C(=O)OCc2csc(N(C(C)=O)c3ccc(F)cc3)n2)c1[N+](=O)[O-] 769600211 JZUUCKPXQCOSGD-UHFFFAOYSA-N 445.428 4.241 5 20 IIBD CC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C)c1nc(C(F)(F)F)cs1 769904594 BWFPTTXMFRZMDF-SECBINFHSA-N 443.856 4.462 5 20 IIBD C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1Cc1c(Br)cccc1[N+](=O)[O-] 770378814 IJKVTVVRNHPQIC-CHWSQXEVSA-N 428.327 4.235 5 20 IIBD CCOc1cc(-c2noc(CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)cc(Cl)c1O 771110732 XNFSKRCGKBYVGQ-UHFFFAOYSA-N 434.792 4.096 5 20 IIBD C[C@H](OC(=O)Cc1cc(Cl)ccc1Br)C(=O)Nc1ccccc1[N+](=O)[O-] 771392928 OSVIOKNNKJASJK-JTQLQIEISA-N 441.665 4.124 5 20 IIBD O=C(Oc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 771480507 LHALEQCTMLURMO-INIZCTEOSA-N 427.215 4.251 5 20 IIBD C[C@@H]1C[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCN1C(=O)OC(C)(C)C 772248203 RNZHBIUQYGPMDX-VXGBXAGGSA-N 444.435 4.106 5 20 IIBD O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(CSc2nc[nH]n2)cc1 773433467 XFLQPPMTNWQWGM-UHFFFAOYSA-N 449.286 4.125 5 20 IIBD COc1cc(C(=O)OCc2nc(C3CC3)cs2)c([N+](=O)[O-])cc1OCc1cscn1 773964895 QBKOLACMFJFJAK-UHFFFAOYSA-N 447.494 4.330 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)O[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c1 776390786 ZBNSJEWNWBLJEK-GOSISDBHSA-N 436.386 4.270 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 777660762 JOSFYTXWTRDHNP-NSHDSACASA-N 447.296 4.118 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 777924915 WTALTWORZSUPJN-CYBMUJFWSA-N 444.868 4.054 5 20 IIBD CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)N2C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 778050243 MBFNUEKFMOIESX-ZXFUBFMLSA-N 439.459 4.123 5 20 IIBD CCN(CC1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1)C(=O)OC(C)(C)C 778294072 JDMVRRGHCHWUNI-UHFFFAOYSA-N 441.475 4.182 5 20 IIBD COc1cc(CNC[C@@H](O)c2cc3ccccc3s2)c([N+](=O)[O-])cc1OCC(F)F 779093922 MMDUFSKGRSFNIK-OAHLLOKOSA-N 438.452 4.285 5 20 IIBD COC(=O)[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc2c(c1)CCO2 779181992 NVTQISRSDKZBFG-OAQYLSRUSA-N 442.855 4.447 5 20 IIBD COc1cc(COC(=O)c2[nH]c(-c3ccccc3)nc2C)c([N+](=O)[O-])cc1OCC(F)F 780060921 YFEDVBKCQOHNHX-UHFFFAOYSA-N 447.394 4.303 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCc1ccc(Br)cc1Cl 781616572 KUEIDPGFBFGUNA-UHFFFAOYSA-N 442.653 4.168 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccccc1NC(=O)C[C@@H]1C=CCC1 781649917 KOVYEMNUDRTJCO-OAHLLOKOSA-N 438.440 4.369 5 20 IIBD C[C@H](c1ccc(Cl)cc1)N(C)C(=O)COC(=O)Cc1ccc([N+](=O)[O-])cc1Cl 785946425 FJVDUROTPWELBM-GFCCVEGCSA-N 425.268 4.207 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])OCc1noc(-c2cccc(Cl)c2)n1 790740340 IUSZGTABXLKSEA-UHFFFAOYSA-N 426.187 4.377 5 20 IIBD COC(=O)c1cc(NCC(=O)Nc2ccc(SC(F)F)cc2)c(C)c([N+](=O)[O-])c1 792737088 UEAZEZXVJSEUCB-UHFFFAOYSA-N 425.413 4.055 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1C 796171528 HZLUZRAFHLXGHH-UHFFFAOYSA-N 443.456 4.354 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] 796174120 VTJKFMLFZODLNU-UHFFFAOYSA-N 429.429 4.046 5 20 IIBD Cc1ccc(-c2nsc(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3Cl)n2)s1 799636521 RRKWHNIYDCNVGQ-UHFFFAOYSA-N 430.920 4.246 5 20 IIBD CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 801043469 FLXICGAMFHHSKN-FQEVSTJZSA-N 433.911 4.347 5 20 IIBD O=[N+]([O-])c1ccc(Br)c2c1CN(S(=O)(=O)c1ccc(C(F)F)cc1)CC2 805095359 ZTYJKIRSMKZVII-UHFFFAOYSA-N 447.257 4.042 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 806367607 PFQFRVMENIJTIM-NUJGCVRESA-N 446.301 4.394 5 20 IIBD Cc1oc(-c2ccccc2)nc1Cc1noc(-c2cc([N+](=O)[O-])ccc2N2CCOCC2)n1 809277599 RWGBNPMMOCNJDR-UHFFFAOYSA-N 447.451 4.036 5 20 IIBD CN(Cc1cc(F)c(F)c(F)c1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 809832602 LESCVOVQVIYXAO-UHFFFAOYSA-N 429.203 4.140 5 20 IIBD COc1ccc2c(c1)OC[C@H]2CC(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811215967 BYWRBIFVEBCXGM-CQSZACIVSA-N 426.450 4.336 5 20 IIBD C[C@@H](C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(Br)c1 812608541 PAPGHLVPKMKSFB-LLVKDONJSA-N 432.230 4.254 5 20 IIBD CCOc1cc(C(=O)N(C)C)ccc1NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813039049 KDQUHWPFLVRRNT-UHFFFAOYSA-N 426.256 4.254 5 20 IIBD Cc1ccc(C(=O)N(CC2CCOCC2)c2ccc(Br)cn2)cc1[N+](=O)[O-] 813378153 SDXFILHHHFHUMA-UHFFFAOYSA-N 434.290 4.134 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCCCN1C(=O)c1cccs1 815185097 CFSGBUTWVZHKAR-HNNXBMFYSA-N 442.415 4.413 5 20 IIBD CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@@H](c1ccccc1)c1ncc[nH]1 817488394 KSELUJLCSVCRDK-INIZCTEOSA-N 433.237 4.081 5 20 IIBD COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)SCc2cc([N+](=O)[O-])ccc2OC)c1 861872443 OYQJVNKWLVUXFS-KGLIPLIRSA-N 434.514 4.120 5 20 IIBD COC(=O)c1cc(Br)cc(NCc2cc([N+](=O)[O-])ccc2OC)c1Cl 864020440 ZTKOIEDFYMHYBT-UHFFFAOYSA-N 429.654 4.418 5 20 IIBD C[C@@H](OC(=O)[C@@H](C)OCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 915438960 HQJYTIIFENQFFJ-CHWSQXEVSA-N 440.374 4.089 5 20 IIBD COc1cc(COC(=O)[C@H](C)Oc2ccc3c(c2)CCC3)c([N+](=O)[O-])cc1OC(F)F 915480722 GQTAOZXFVWXKAM-LBPRGKRZSA-N 437.395 4.204 5 20 IIBD COc1ccc(COC(=O)COc2ccc(Br)cc2Cl)cc1[N+](=O)[O-] 918993204 XDDIDAYCZBTJLD-UHFFFAOYSA-N 430.638 4.142 5 20 IIBD C[C@H](NC(=O)COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 919039813 UZHZPLGRZMCVSM-JTQLQIEISA-N 446.765 4.181 5 20 IIBD COc1cc(NC(=O)c2ccco2)c(C(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)cc1OC 920157006 GJRKMEUNYMXTMS-CYBMUJFWSA-N 440.408 4.375 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)cc1[N+](=O)[O-] 921008211 AJXXBRBNEVRVPT-UHFFFAOYSA-N 440.456 4.260 5 20 IIBD O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CCCN2CCC[C@@H]2C1 1318065032 OPFDQWPKENCWKI-GOSISDBHSA-N 428.920 4.171 5 20 IIBD O=C(N[C@H]1CCCN(C(=O)c2ccccc2)C1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 1318121738 HOPYFEVUEMBIEU-NRFANRHFSA-N 444.491 4.373 5 20 IIBD CC(C)(C)c1ccc(Cc2noc(CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)n2)cc1 1320480590 FRISFNTVSUKXOF-UHFFFAOYSA-N 436.468 4.407 5 20 IIBD C[C@H](NC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)c1cccc([N+](=O)[O-])c1 1320513852 NGMMTLZGIOMFOU-HNNXBMFYSA-N 425.485 4.379 5 20 IIBD Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])[nH]4)cc3)CCC2)nc1 1790184256 JZZFFHSQJWSWDJ-UHFFFAOYSA-N 447.495 4.007 5 20 IIBD Cc1ccccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1C)C2 1799592870 XJPYGXRFCUPLAH-BCDXTJNWSA-N 441.915 4.431 5 20 IIBD CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 1800137252 HRBUGWBREXZKDV-KAOXLYBCSA-N 449.551 4.278 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1cc([C@@H]2CCCCN2C(=O)CCC2CCC2)[nH]n1 1814965118 IUCIRBFGQURCTB-LNENJAERSA-N 441.488 4.197 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)C2CCC2)CC1 1826250316 GDTAIOOOIVRIBN-HXUWFJFHSA-N 431.508 4.076 5 20 IIBD CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)CC1 1826393644 LLWXFRLXBHGPLC-QFIPXVFZSA-N 441.572 4.436 5 20 IIBD O=C([C@@H]1C[C@@H]1C1CC1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830493178 USDCYEAJYLUBCT-SJBKTWHCSA-N 443.519 4.013 5 20 IIBD O=C(COC(=O)CCCSc1ccc(Cl)cc1)Nc1ccc(F)c([N+](=O)[O-])c1 8928779 CRYVBJORPBJKPM-UHFFFAOYSA-N 426.853 4.442 5 20 IIBD COc1ccc([C@@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)N2CCCC2)cc1 17911644 LZLMLWKGANNPFY-LJQANCHMSA-N 425.510 4.385 5 20 IIBD Cc1ccc(NC(=O)Cc2nc(COC(=O)c3cccc([N+](=O)[O-])c3C)cs2)cc1 22141218 HWTDUIUHBJXCSZ-UHFFFAOYSA-N 425.466 4.206 5 20 IIBD O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]1c1ccc2c(c1)OCCCO2 32572129 LRKOPMGVXYOAAL-INIZCTEOSA-N 432.860 4.152 5 20 IIBD O=C(NCCC1CCCCC1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 33120690 JWVSIZZODYPWNU-UHFFFAOYSA-N 431.514 4.096 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)cc([N+](=O)[O-])c1 36759465 RFIWDZHYEYVDIK-UHFFFAOYSA-N 425.363 4.109 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N(C)CC(=O)Nc3cc(C)on3)cc2[N+](=O)[O-])cc1 57830038 NPDTULLFDUECHG-UHFFFAOYSA-N 440.481 4.062 5 20 IIBD O=c1[nH]cnc2cc(NCC3(c4ccc(Br)cc4)CCC3)c([N+](=O)[O-])cc12 60452430 LXJIACKXUBFFHR-UHFFFAOYSA-N 429.274 4.128 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@H](C)C2)c1 60487692 NQELRCJUTOCBEP-HOTGVXAUSA-N 445.541 4.131 5 20 IIBD CCCS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 71894988 AGLNQHTUAMFRLA-UHFFFAOYSA-N 431.495 4.154 5 20 IIBD Cc1cc(Br)cc(C)c1NC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C 195636805 MYYWZMPTXDYHMY-UHFFFAOYSA-N 430.262 4.116 5 20 IIBD Cc1ccc(Cn2ccccc2=NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 254834412 HQDLPWRJHAPHDS-UHFFFAOYSA-N 433.511 4.440 5 20 IIBD CCOc1cc(N2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)ccc1[N+](=O)[O-] 301509600 HZOUIBJKMOVOEL-ZDUSSCGKSA-N 449.305 4.006 5 20 IIBD Cc1ccc(OC(F)F)c(CNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)c1 301600226 IJKQGDDMTAPRTQ-UHFFFAOYSA-N 436.802 4.316 5 20 IIBD CCc1cccc2c(C3CCN(c4cccc(S(C)(=O)=O)c4[N+](=O)[O-])CC3)c[nH]c12 301867785 GOIKMKSOQYEUCF-UHFFFAOYSA-N 427.526 4.426 5 20 IIBD C[C@@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1cc(F)ccc1N1CCC(O)CC1 301968316 XZQZSBNRDZSZRF-GFCCVEGCSA-N 425.407 4.470 5 20 IIBD O=C(O)[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1csc(-c2ccsc2)n1 426732091 RJKIVPTYMWCBGB-QGZVFWFLSA-N 428.495 4.047 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1c1cc(Br)ccc1OC 427457667 VEKXXFANMTYZSY-MRXNPFEDSA-N 435.274 4.352 5 20 IIBD CC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1ncc(-c2ccccc2)[nH]1 427910516 GLKNSOYWESLWOB-QGZVFWFLSA-N 431.452 4.179 5 20 IIBD CC[C@H]1CCCC[C@H]1N(C)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C 430337522 GFXNGBMUDKLHOQ-SWLSCSKDSA-N 426.311 4.031 5 20 IIBD Cc1noc(-c2ccc(C(F)(F)F)cc2NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 432468733 LHLCTJVFAIZCDX-UHFFFAOYSA-N 442.375 4.081 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@@H](C)CC(=O)c3ccco3)cc2[N+](=O)[O-])n1 434258309 XKPBWQUDFDPKEL-NSHDSACASA-N 431.495 4.495 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)NC1(c2c(Cl)cccc2Cl)CC1 434615900 NYJVOXWOXYBIAK-UHFFFAOYSA-N 428.659 4.299 5 20 IIBD C[C@H](SCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1nc(Cc2ccccc2)no1 437264711 FXGLGFVJRKAMAV-AWEZNQCLSA-N 440.481 4.361 5 20 IIBD COc1cc(-c2nnc(CN(Cc3ccc([N+](=O)[O-])cc3)C(C)C)o2)cc(OC)c1OC 441198312 CECSGEWMKDEQEF-UHFFFAOYSA-N 442.472 4.081 5 20 IIBD O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)c1ccc2[nH]c3ccccc3c(=O)c2c1 444004881 NPVQDZJPSLMCOE-UHFFFAOYSA-N 444.878 4.357 5 20 IIBD C[C@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@H](C)CN1Cc1ccccc1 444299470 VKESKXIQVUMLLL-RBUKOAKNSA-N 425.532 4.416 5 20 IIBD Cn1cc([C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c2ccc(F)cc2)cn1 444330845 NUTORIQMFQRLMA-QHCPKHFHSA-N 426.451 4.073 5 20 IIBD O=C(Cc1noc(Cn2ccc3cc([N+](=O)[O-])ccc32)n1)Nc1cccc2ccccc12 445332457 OAECVVGSZOTWRW-UHFFFAOYSA-N 427.420 4.315 5 20 IIBD COc1ccc(NC(=O)Cc2noc(Cc3ccc([N+](=O)[O-])cc3Cl)n2)cc1Cl 445370885 JFTZTNNCAGRECO-UHFFFAOYSA-N 437.239 4.065 5 20 IIBD O=C(NCc1cnn(-c2ccc(Br)cc2)c1)c1cc2cc([N+](=O)[O-])ccc2o1 446609372 GVAIDUFFUPRWRC-UHFFFAOYSA-N 441.241 4.219 5 20 IIBD C[C@@H]1C[C@H](c2ccc(F)cc2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 447023502 NHQHTOKJXUTVGE-YPMHNXCESA-N 443.294 4.063 5 20 IIBD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)n1 447527311 GFFMRCVWMMQLNN-FHLIZLRMSA-N 439.438 4.042 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@@H]2CCOC2)c1 461367035 QJPZDIRDRSBBHC-HNNXBMFYSA-N 439.438 4.059 5 20 IIBD COc1ccccc1-c1ccc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)cc1 462496567 VNMFGHOALPYFIE-OAHLLOKOSA-N 442.493 4.319 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(COC2CCOCC2)cc1 462621861 RAFPSVCFPYLEPL-NRFANRHFSA-N 426.513 4.176 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(F)cc3)cn2)c2ncccc12 464430709 SKBIRUJLXSGLIC-UHFFFAOYSA-N 440.412 4.270 5 20 IIBD Cc1cccc(COc2cccc(NC(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)c2)c1 465125173 AMHUREFQYDRUFJ-UHFFFAOYSA-N 434.448 4.435 5 20 IIBD CC(C)(C)[C@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(F)cc1F 468383446 NJRMJJKZOYCQEG-HXUWFJFHSA-N 447.438 4.465 5 20 IIBD Cn1nc([C@@H]2CCCOC2)cc1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 468610467 SJVBDTQTEKXZDL-GOSISDBHSA-N 435.484 4.087 5 20 IIBD C[C@@H]1CCN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C[C@@H]1n1ccnc1 469381994 SGPLMTNWCGWAOG-PXAZEXFGSA-N 449.298 4.007 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H](OCc2ccccc2F)C1 470694564 RCHINIDAZQIHTE-HNNXBMFYSA-N 437.265 4.318 5 20 IIBD CNC(=O)c1cc2cc(NC(=O)c3ccc(N4C[C@@H](C)C[C@@H](C)C4)c([N+](=O)[O-])c3)ccc2[nH]1 473561177 LLNAIDXZFRXCQX-GASCZTMLSA-N 449.511 4.170 5 20 IIBD COc1cccc(OC)c1Oc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)cn1 473775384 LFGHBCQFJHRJKO-UHFFFAOYSA-N 438.440 4.429 5 20 IIBD Cn1ccnc1[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccccc1F 475205332 JCTIHFCZKGOZRQ-INIZCTEOSA-N 437.353 4.397 5 20 IIBD Cc1c(Cl)cccc1-n1c(SCc2c([N+](=O)[O-])ncn2C)nnc1-c1ccncc1 476474563 YYBPMWNCALOHNV-UHFFFAOYSA-N 441.904 4.225 5 20 IIBD C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(Br)cn1 477776372 QAZDNZYTADIXKA-JTQLQIEISA-N 433.287 4.367 5 20 IIBD COC(=O)c1cnc(NCc2cn(-c3ccccc3)nc2-c2ccccc2)c([N+](=O)[O-])c1 478273100 BQRLGAHXUDMGHH-UHFFFAOYSA-N 429.436 4.241 5 20 IIBD O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1ccc([N+](=O)[O-])cc1Br 479286283 VCIVULVIQKFKEI-SNVBAGLBSA-N 442.672 4.159 5 20 IIBD O=c1c(Cl)c(N[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)cnn1-c1ccc([N+](=O)[O-])cc1 480782759 XQGUJSHBTUEBRS-JKSUJKDBSA-N 448.813 4.364 5 20 IIBD CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 483008427 BWTWMISZMWJREK-UHFFFAOYSA-N 432.383 4.423 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 483212449 KEBFZVVVTDVTIZ-UHFFFAOYSA-N 445.516 4.015 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 485490827 AAWJOKQASDZJOF-FXAWDEMLSA-N 445.466 4.323 5 20 IIBD COC(=O)c1cc(NC(=O)CCc2ccccc2OC(F)(F)F)c(C)c([N+](=O)[O-])c1 485973594 BZOKDMKTQASYKN-UHFFFAOYSA-N 426.347 4.160 5 20 IIBD O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCCN(CC(F)(F)F)CC1 486824028 XPWKPQXKWUUMHB-UHFFFAOYSA-N 439.459 4.456 5 20 IIBD CCCC(=O)Nc1ccc(Cl)c(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 486877500 FPEFJLBZHHPDGJ-UHFFFAOYSA-N 445.907 4.341 5 20 IIBD COC(=O)c1cc(NC(=O)N(C)Cc2ccccc2C(F)(F)F)c(C)c([N+](=O)[O-])c1 486878322 IDPZRGWFGLDRFQ-UHFFFAOYSA-N 425.363 4.373 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@@H](c2cccc(C)c2)c2ccccn2)c(C)c([N+](=O)[O-])c1 486887713 ZQBWYVNOGCUDQB-NRFANRHFSA-N 434.452 4.304 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@H](C)Cc3ccncc3)c([N+](=O)[O-])c2)c(C)c1 487662779 GQDXRVVYSXXAFF-QGZVFWFLSA-N 440.525 4.451 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)NCC2(C(=O)Nc3ccc(C)c(C)c3)CCCC2)c1 488277669 LATNVLJFJYZQRG-UHFFFAOYSA-N 425.485 4.149 5 20 IIBD Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])o2)cc1 489118650 UHHWAWAZFFYBKZ-UHFFFAOYSA-N 434.861 4.249 5 20 IIBD CCn1c(SCC(=O)NCCCC2CCCCC2)nnc1-c1ccc([N+](=O)[O-])cc1 489400516 VNEMWFPFLBVABV-UHFFFAOYSA-N 431.562 4.442 5 20 IIBD CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1 490156205 UIQSDDOCWJBINK-UHFFFAOYSA-N 427.848 4.425 5 20 IIBD CC(=O)N1c2ccc(S(=O)(=O)N(c3cccc([N+](=O)[O-])c3)C3CCCC3)cc2C[C@H]1C 494490930 BYFBEJMNGGYOFG-OAHLLOKOSA-N 443.525 4.030 5 20 IIBD CCCn1c2ccccc2c2nnc(SCC(=O)N(C)c3ccc([N+](=O)[O-])cc3)nc21 495469421 GQKKGDYJZXSGBY-UHFFFAOYSA-N 436.497 4.053 5 20 IIBD Cn1ccnc1[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C1 496616301 WATUXOCXHOMCSD-INIZCTEOSA-N 439.903 4.224 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@H]1CCCCN1C(=O)c1cccs1 499513967 XPMVSMSJARTIPD-CQSZACIVSA-N 427.404 4.309 5 20 IIBD COc1cc(C(=O)Nc2ccc(F)cc2Br)c([N+](=O)[O-])cc1OC(F)F 500074398 LIMOGLNXXNBLKQ-UHFFFAOYSA-N 435.152 4.359 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CN1CCOC[C@@H]1c1c(C)nn(Cc2ccccc2)c1C 502311195 GFRUJTOLRYTMNK-JOCHJYFZSA-N 436.512 4.039 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(CN3CCSCC3)ccc2C)cc1OC 502723782 XXCFYALPKLWWQY-UHFFFAOYSA-N 445.541 4.112 5 20 IIBD COc1cc(CSc2nnc(C)n2-c2ccccc2)c([N+](=O)[O-])cc1OCC(F)F 502858991 WUQGYTBAGNLTKS-UHFFFAOYSA-N 436.440 4.429 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCC3(O)CCCCC3)c([N+](=O)[O-])c2)c(C)c1 504161620 GJASTJKDWGZDFZ-UHFFFAOYSA-N 433.530 4.120 5 20 IIBD C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(-n2cccn2)c(F)c1 505344687 RAGLOCSQEBPPJO-QGZVFWFLSA-N 440.478 4.357 5 20 IIBD O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 505669541 ODNGLADQYSWLOL-UHFFFAOYSA-N 444.850 4.360 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3n2CC)cc([N+](=O)[O-])c1 506146778 VTPIDHSOWYNFCT-HXUWFJFHSA-N 436.468 4.118 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCc1cccc(NC(=O)c2ccccc2)c1 510893311 ARXLUOVGVVWMGG-UHFFFAOYSA-N 432.480 4.231 5 20 IIBD COc1cc(C(=O)N2CCCc3cc(OC(F)(F)F)ccc32)c([N+](=O)[O-])cc1OC 512378437 PUPFSMMJGDZIRL-UHFFFAOYSA-N 426.347 4.104 5 20 IIBD C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 513567474 MOTCBEZMDQUZLZ-OAHLLOKOSA-N 444.534 4.463 5 20 IIBD COc1ccc2oc(C(=O)N[C@H](CC(=O)OC(C)C)c3ccccc3[N+](=O)[O-])c(C)c2c1 514519616 QMDSFWDIDSQBLM-GOSISDBHSA-N 440.452 4.471 5 20 IIBD CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 514648315 TXODKWUMNNMNCP-AWEZNQCLSA-N 439.468 4.220 5 20 IIBD CCCCN1C(=O)C[C@H](C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(OC)cc1 515681734 RZLKAJABQPQFGQ-HNKPZJSLSA-N 439.512 4.171 5 20 IIBD CCCOc1ncccc1CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 517092001 ROXPGEZNKDVZQY-INIZCTEOSA-N 435.484 4.277 5 20 IIBD COc1ccc(Cc2noc(Cn3c4ccccc4c(=O)c4ccccc43)n2)cc1OC 517630090 BOWFWQXXQHGYJS-UHFFFAOYSA-N 427.460 4.194 5 20 IIBD CCN(Cc1ccccc1Cl)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 518705170 IEPVDFONUMSRPD-UHFFFAOYSA-N 433.711 4.222 5 20 IIBD COc1cc(OCC(=O)N2CCC[C@@H]2c2cccc(Br)c2)ccc1[N+](=O)[O-] 519978855 RWRFTFHVWMHGQT-MRXNPFEDSA-N 435.274 4.108 5 20 IIBD COC1CCN(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 521683797 PXHLECMWHVUGKB-UHFFFAOYSA-N 427.501 4.006 5 20 IIBD C[C@H](CN1CCN(C)CC1)NCc1ccc(Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 521843035 WPTHIUGUYORDGB-LJQANCHMSA-N 440.588 4.410 5 20 IIBD CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 523951574 DQKZGOMOVVMEOB-UHFFFAOYSA-N 444.495 4.038 5 20 IIBD C[C@@H]1CN(Cc2ccc(C(=O)N3CCS[C@H]3c3ccc([N+](=O)[O-])cc3)cc2)C[C@@H](C)O1 525618471 SBUOHTPUNPGVLH-QZMQVMSPSA-N 441.553 4.092 5 20 IIBD COc1ccc(CNc2cccc(CS(=O)(=O)Cc3ccccc3)c2)cc1[N+](=O)[O-] 532748497 SDBLHDDLFAFMFE-UHFFFAOYSA-N 426.494 4.331 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(C[S@@](=O)Cc3coc(-c4cccc(F)c4)n3)co2)cc1 534061616 MHZMHWTZBZJQSQ-SSEXGKCCSA-N 427.413 4.493 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1ccc(OC)c(Cl)c1 536469986 VTWWCXCNGJVEHR-UHFFFAOYSA-N 438.889 4.189 5 20 IIBD CCc1nc2ccccc2n1C1CCN(S(=O)(=O)c2c([N+](=O)[O-])ccc(C)c2C)CC1 536758716 YCJCVPPLGHRXDE-UHFFFAOYSA-N 442.541 4.150 5 20 IIBD O=C(NCCCNc1ncnc2ccc([N+](=O)[O-])cc12)C(c1ccccc1)c1ccccc1 539105714 ZBCLALXXGZSCTQ-UHFFFAOYSA-N 441.491 4.288 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC=C(c2ccc3c(c2)OCCO3)CC1 539965405 UOFLNRUQPVEVKW-UHFFFAOYSA-N 449.488 4.419 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 540858107 GGYWSJLQIUURDE-ZDUSSCGKSA-N 426.439 4.213 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCNc2nc3cc(C(F)(F)F)ccc3s2)cc1 541627473 YZOZXSHXVNTHCQ-UHFFFAOYSA-N 431.417 4.109 5 20 IIBD COc1cc([C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)C(F)(F)F)cc(OC)c1OC 542714746 UORDYXSJHWCQFT-MRXNPFEDSA-N 447.341 4.185 5 20 IIBD O=C(NCc1cc(Br)ccc1OC(F)F)Nc1ccc([N+](=O)[O-])cc1F 542761670 CZCASQYPODDWKZ-UHFFFAOYSA-N 434.168 4.420 5 20 IIBD Cc1ccccc1C1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 543519721 RBMVRNOQGNCJCE-HSZRJFAPSA-N 435.524 4.222 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1 543889412 WHQCBXYLUHEQGJ-UHFFFAOYSA-N 446.529 4.214 5 20 IIBD COc1cc(C(=O)NCc2cn(C)nc2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 544380979 XCNRANYHOWGRBI-UHFFFAOYSA-N 430.848 4.021 5 20 IIBD C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)c1ccccc1C(F)(F)F 544453453 BQBHQQTZNYYZSV-UONOGXRCSA-N 430.448 4.169 5 20 IIBD O=C(Nc1cccc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)c1)C1CC1 545738694 HUZMKVDYWDDPDX-UHFFFAOYSA-N 443.257 4.347 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](c1ccccc1)N1CCC[C@H]1CF 550410523 WFFQFLAKNRAJAA-MAUKXSAKSA-N 436.281 4.471 5 20 IIBD C[C@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1OCCc2sccc21 552613617 PUZNLGKGEUDGDK-BBATYDOGSA-N 443.447 4.296 5 20 IIBD COc1cc(C(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)cc([N+](=O)[O-])c1OC 562002158 XSSQZDGBFUSZGB-UHFFFAOYSA-N 436.346 4.069 5 20 IIBD O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CCC[C@@H](c2ccccc2)C1 562122343 WWGCPNRCAREZKU-CQSZACIVSA-N 436.249 4.219 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cc(-c4nc[nH]n4)ccc3F)cc2[N+](=O)[O-])C1 564275466 QEDMLOXYVMWNER-OKILXGFUSA-N 438.463 4.254 5 20 IIBD CN1CCC(N(Cc2ccccc2Br)C(=O)c2cccc([N+](=O)[O-])c2)CC1 568458881 UMXCFICSQBKIEY-UHFFFAOYSA-N 432.318 4.094 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(Cc3noc([C@@H]4CCCN4c4ncnc5sccc45)n3)c2c1 570317997 VOXWSIQYLUDFQN-KRWDZBQOSA-N 447.480 4.396 5 20 IIBD O=C(N[C@H]1c2ccccc2CC12CCOCC2)C1CCN(c2ccccc2[N+](=O)[O-])CC1 572773370 MUTRJSCBJROGCN-QHCPKHFHSA-N 435.524 4.022 5 20 IIBD COc1cc(Cc2noc(Cc3nc(-c4cccs4)oc3C)n2)c([N+](=O)[O-])c(OC)c1 573768888 VDQPVTNIBVOLQE-UHFFFAOYSA-N 442.453 4.202 5 20 IIBD C[C@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccc(Br)cc1F 574610157 DGCVCCGFWCKHEI-NSHDSACASA-N 433.237 4.173 5 20 IIBD C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 575203895 NBISFLPSFDBWKW-IAGOWNOFSA-N 445.947 4.338 5 20 IIBD CCCCN1Cc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc34)cc2C1 575795458 LKDGTIXNZDLSNU-UHFFFAOYSA-N 426.498 4.060 5 20 IIBD Cc1cc(=O)c(C(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)nn1-c1ccccc1[N+](=O)[O-] 590666651 ZCMFAAZHUGYFHG-FQEVSTJZSA-N 440.887 4.230 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N(Cc1cccnc1)Cc1ccco1 603738041 NBHMPBYVQWPURY-UHFFFAOYSA-N 435.358 4.367 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H](NCCc1ccco1)c1ccccc1 603743541 LJIMEQSVBPJAGI-LJQANCHMSA-N 444.285 4.462 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NCC(=O)Nc1ccc(I)cc1C 603823910 TVBVUTMOMNDLFL-UHFFFAOYSA-N 439.253 4.175 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNC3CCN(CC(F)F)CC3)o2)c(Br)c1 608836851 KOZRJJYDZOORLT-UHFFFAOYSA-N 444.276 4.436 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 609564058 ASWNKRCHVIOTBU-GOSISDBHSA-N 429.826 4.123 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CC(=O)N(c1cccc(N2CCCC2)c1)C1CCCCCC1 609905601 GLTGKEORUBQPGE-UHFFFAOYSA-N 425.533 4.456 5 20 IIBD COc1cc(C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc([N+](=O)[O-])c1OC 610196030 HVNOGEMALFSVJZ-UHFFFAOYSA-N 445.859 4.426 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H](c2nc3ccccc3o2)C1 610665704 IVQRLHPIXFRBQF-AWEZNQCLSA-N 444.285 4.447 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@H](c1ccncc1)c1ccc(Cl)cc1 619489141 HUZNINGHDKIAEW-IBGZPJMESA-N 447.900 4.062 5 20 IIBD O=C(CNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)NCc1ccccc1 725849841 TZEVPBJIWNHBOU-UHFFFAOYSA-N 425.872 4.447 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 725869679 YRRKTNHAMCBVNX-PKOBYXMFSA-N 434.418 4.001 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc(Cc2ccccc2)ccc1O 726009950 VPQDKXHFDNOVQM-UHFFFAOYSA-N 431.404 4.298 5 20 IIBD C[C@H](OC(=O)c1cccc(F)c1F)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 726682362 YCDHPSROXWASSY-JTQLQIEISA-N 433.392 4.181 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1nc2cc(Cl)ccc2s1 727246822 OYSJGKDXQAGICR-UHFFFAOYSA-N 448.707 4.421 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1occc1CN1C(=O)Cc2ccccc21 728515034 VOGPAFGOIPTBPL-UHFFFAOYSA-N 439.855 4.203 5 20 IIBD CC(C)Sc1ccc([C@@H](C)NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cc1 728832384 MFLFEXHWZJIRJN-GDBMZVCRSA-N 445.516 4.465 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)cc1OC 730843467 CKFPIIAKOPQCMP-UHFFFAOYSA-N 449.891 4.135 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])c(F)c1)Nc1cccc(CSc2ccccn2)c1 733484408 LJKLJARRNQDWDV-UHFFFAOYSA-N 441.440 4.217 5 20 IIBD CC(C)(C)CCC(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 737473063 UUBFJLUCGXOFHX-RVDMUPIBSA-N 439.921 4.227 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 742342631 WAUVDBKJCQZATJ-KRWDZBQOSA-N 441.440 4.053 5 20 IIBD C[C@H](NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1nc(-c2ccc(Cl)cc2)no1 742945533 XDWUYGNVUOPYGU-JTQLQIEISA-N 439.815 4.043 5 20 IIBD O=C(OCc1ccccc1NC(=O)c1ccco1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 744250159 SZIXEDBVFDMFLV-UHFFFAOYSA-N 435.436 4.397 5 20 IIBD Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 744515300 CAQUTAXMQUCEFL-OAHLLOKOSA-N 440.431 4.029 5 20 IIBD Cc1sc(NC(=O)C(C)C)c(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1C 744935287 ARKREICKOXFBGB-LBPRGKRZSA-N 433.486 4.052 5 20 IIBD CCc1cccc2c(C(=O)[C@@H](OC(=O)CCn3cc([N+](=O)[O-])cn3)c3ccccc3)c[nH]c12 746596677 PQENXGFYZAKVGI-DEOSSOPVSA-N 446.463 4.393 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)c(C(F)(F)F)c1 746668079 GMIPXIGJXMLKKN-UHFFFAOYSA-N 442.327 4.443 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1 747621236 QUNYIKSCQMKHDU-UHFFFAOYSA-N 438.824 4.116 5 20 IIBD Cc1c(C(=O)N[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748618223 QOTDIYUDDCQXLU-CYBMUJFWSA-N 441.419 4.244 5 20 IIBD Cc1c(C(=O)Nc2cc(F)ccc2OCC(F)(F)F)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748626043 SFFRJZUOQQQBFU-UHFFFAOYSA-N 431.298 4.452 5 20 IIBD O=C(Cn1ccc2ccc(Cl)cc21)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 750434788 OJVSQHFJJGSJFH-UHFFFAOYSA-N 428.876 4.058 5 20 IIBD COc1cc(C(=O)Oc2c(Br)cccc2Br)ccc1[N+](=O)[O-] 751109054 MNIYVDKIZRGPSE-UHFFFAOYSA-N 431.036 4.348 5 20 IIBD Cc1cc(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])ccc1NC(=O)c1ccco1 751269718 DBZSPJTVQRVPOD-UHFFFAOYSA-N 435.845 4.203 5 20 IIBD CN(Cc1cc(Br)ccc1Cl)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 754853024 MIBIDVJFVLHZJV-UHFFFAOYSA-N 426.654 4.008 5 20 IIBD Cc1cccc(C)c1OC[C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754993137 HIEKIUNVFQTQIW-LBPRGKRZSA-N 425.254 4.311 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)OCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 755675291 CHFBJJOAKBAVLG-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD C[C@H](OC(=O)c1cccc2[nH]ccc12)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 757046198 IPWWPUQVBPBMDQ-LBPRGKRZSA-N 436.449 4.384 5 20 IIBD O=C(Nc1cccc2c1CN(c1ccccn1)C2)c1cc([N+](=O)[O-])ccc1N1CCCC1 757633107 GVUHJTUFZPBVEJ-UHFFFAOYSA-N 429.480 4.363 5 20 IIBD O=C(Nc1ccc2nc(S)[nH]c2c1)c1cc(Br)cc([N+](=O)[O-])c1Cl 758612558 VXGFAZWDLSYLOT-UHFFFAOYSA-N 427.667 4.428 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)OCc1cc(Br)cc2cccnc12 759883452 OYIQNERBAKEZOX-UHFFFAOYSA-N 435.205 4.167 5 20 IIBD C[C@@H](NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1nc2ccccc2s1 765182883 FXAFMAKNXDWLFL-SECBINFHSA-N 442.316 4.007 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1Cc2ccc(Br)cc2C1 765214435 NIXWNLBTFWZWBD-UHFFFAOYSA-N 426.064 4.276 5 20 IIBD O=C(NCCc1nc2c(s1)CCCC2)Nc1ccc(Br)c([N+](=O)[O-])c1 766470823 QPJFEBFBLLZXCB-UHFFFAOYSA-N 425.308 4.057 5 20 IIBD COc1cc(C)c(Br)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 768869166 UKXNJILULVFIII-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD C[C@@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC[C@@H]1NC(=O)OC(C)(C)C 769422121 DVIRAJPAMNPGQC-DOMZBBRYSA-N 428.327 4.092 5 20 IIBD Cc1nnc(-c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c2)n1C 773177557 VTPDFHISEGSDIB-UHFFFAOYSA-N 434.500 4.187 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 773390147 TXCBZZHPLXCGNM-QGZVFWFLSA-N 428.247 4.324 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C 775084349 CMJMGZFWGYQISH-UHFFFAOYSA-N 433.442 4.107 5 20 IIBD CC(C)COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2Br)cc1 775209108 QBSWNLDDWZKYRU-UHFFFAOYSA-N 429.292 4.193 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 775991749 VINPCHBYMVXGJA-INIZCTEOSA-N 446.307 4.383 5 20 IIBD COc1cc(Cl)ccc1NC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 776075226 SGAQGTQCDOBSHP-INIZCTEOSA-N 435.864 4.461 5 20 IIBD CCN(c1ccc2ccccc2c1)S(=O)(=O)c1ccc(NC(=O)OC)c([N+](=O)[O-])c1 777620684 VCPHRZYJHOZARQ-UHFFFAOYSA-N 429.454 4.142 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)C1(c2cccc(Cl)c2)CCOCC1 778791877 RWPRXIOJLOTCHA-HXUWFJFHSA-N 430.888 4.119 5 20 IIBD CC/C(C)=C(/C)C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 779728960 YXDNPLYCLVQXLB-GZQRZBQGSA-N 437.905 4.147 5 20 IIBD CC(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 781258428 CPAYDFLTLMWSQB-UHFFFAOYSA-N 428.488 4.275 5 20 IIBD O=C(COC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(-c2ccccc2)cc1 781738015 YUBLJKMILKFSKX-UHFFFAOYSA-N 449.419 4.285 5 20 IIBD CCN(CC)C(=O)CCC1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 782373134 VQZGJTOCGNRDAA-UHFFFAOYSA-N 446.426 4.387 5 20 IIBD CC(=O)c1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2Cl)ccc1Br 788216355 JFBZNTRKPWZQOR-UHFFFAOYSA-N 433.667 4.014 5 20 IIBD COc1ccc([C@H](C)N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(Br)cc2C)cc1 790007578 DDDSBZDJJHGWPT-LBPRGKRZSA-N 443.319 4.056 5 20 IIBD C[C@@H]1CC(CCNC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C[C@@H](C)O1 790853698 XYTIRGSBOUEBDF-CHWSQXEVSA-N 440.338 4.019 5 20 IIBD CC(C)(C(=O)O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cc1 791431547 IXSZARLTUAYXKN-UHFFFAOYSA-N 433.269 4.065 5 20 IIBD O=C(NC[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1)OCc1ccccc1 794033308 BDJVJZRMTJRUEV-INIZCTEOSA-N 431.876 4.027 5 20 IIBD CN(C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)[C@H]1CCC(C)(C)C1 794273007 YDMNCIGREIFMLX-KRWDZBQOSA-N 432.498 4.013 5 20 IIBD CC(=O)N1CCc2sc(C(=O)COc3cc(Cl)c(Cl)cc3[N+](=O)[O-])cc2C1 794495838 GDKIRIDKOPPWIM-UHFFFAOYSA-N 429.281 4.129 5 20 IIBD CCOC(=O)/C(=C\c1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1ccc([N+](=O)[O-])cn1 794713320 MTVXMKNVYYJJMM-MFOYZWKCSA-N 432.358 4.298 5 20 IIBD CC(C)(C)OC(=O)N1CCOc2ccc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])cc2C1 794827806 NFCIOKGYWWPJSB-UHFFFAOYSA-N 431.420 4.116 5 20 IIBD CN(Cc1ccc(F)c(Cl)c1)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O 795450002 DOYBEAQXEXOLMJ-UHFFFAOYSA-N 442.672 4.195 5 20 IIBD CC(C)[C@@H]1CCCN1c1ccc(NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)cc1F 801183411 KMRQXWVFMOPAHG-KRWDZBQOSA-N 449.504 4.015 5 20 IIBD COCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 802342985 PQTYIJGIXUASTI-GOSISDBHSA-N 439.516 4.226 5 20 IIBD COC(=O)Nc1cccc(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)c1 804607286 QIBQJYZTXXCJPN-UHFFFAOYSA-N 442.653 4.119 5 20 IIBD COc1ccc(CNC(=O)Nc2cc(C(F)(F)F)cc(Br)n2)cc1[N+](=O)[O-] 806800695 LXVWDHGAIYBLSQ-UHFFFAOYSA-N 449.183 4.101 5 20 IIBD CN([C@H]1CC[C@@H](C(F)(F)F)CC1)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 808348244 YZLWOGARCGNGJQ-AOOOYVTPSA-N 445.257 4.099 5 20 IIBD O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 808914197 DJDPNRMRYRBYEY-RYRKJORJSA-N 431.286 4.002 5 20 IIBD C[C@@H](c1ccc(F)cc1)N1CC[C@@H](OC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1=O 815223649 WXLCKTDCVDZMGT-APPDUMDISA-N 440.349 4.272 5 20 IIBD COCc1ccccc1/C=C(\C)COC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 816188516 COLDSOPYWAGQSM-XOVFHRFOSA-N 444.509 4.054 5 20 IIBD Cc1c(C(=O)N2CC(Cc3cccc(C(F)(F)F)c3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 816871023 XXOJDSGMIZFCDO-UHFFFAOYSA-N 437.374 4.453 5 20 IIBD Cc1ccc(C)c(OCc2nnc(S[C@@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)o2)c1 849129277 MURRPXOLISWBOS-ZDUSSCGKSA-N 446.460 4.432 5 20 IIBD COC(=O)c1ccc(Cl)c(NCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])c1 863992038 CMRWSZQBWPXIHF-UHFFFAOYSA-N 430.791 4.299 5 20 IIBD C[C@@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(Cc2cc([N+](=O)[O-])ccc2Cl)C1=O 915665146 AXSCROGGVSCBCN-KRWDZBQOSA-N 427.766 4.234 5 20 IIBD COc1ccc(OC(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)cc2)c([N+](=O)[O-])c1 916036601 PNIBUSLZIFOWPZ-UHFFFAOYSA-N 441.461 4.105 5 20 IIBD COC(=O)c1ccc(COC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(Br)c1 916658189 AIQYZUMIKHEBFA-UHFFFAOYSA-N 428.622 4.154 5 20 IIBD CN(C(=O)c1ccc(SC(F)F)cc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 916989963 DSEQYIFVGKGLGW-UHFFFAOYSA-N 436.845 4.024 5 20 IIBD Cc1c(Oc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])cccc1[N+](=O)[O-] 917091839 KPBWDHJFURCSLH-UHFFFAOYSA-N 435.458 4.168 5 20 IIBD O=Cc1ccc(OCC(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)c([N+](=O)[O-])c1 917177753 HVIKGMYIXNLAPR-FQEVSTJZSA-N 443.459 4.216 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1I)N1CCC[C@@H]1c1cccc(F)c1 917818673 BWZSDLXQOSUDKE-MRXNPFEDSA-N 440.212 4.316 5 20 IIBD COC(=O)c1ccc(-c2ccc(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)cc2)cc1 917979330 NXFQHAKTFUNDFJ-UHFFFAOYSA-N 449.415 4.272 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@H](C)c1ccc(F)cc1F 918765371 QCWWAXTZXGEFSP-XIKOKIGWSA-N 438.452 4.029 5 20 IIBD Cc1c(COC(=O)c2cccc(NC(=O)[C@H]3Cc4ccccc4O3)c2)cccc1[N+](=O)[O-] 919440314 HHQPJUXWGAUYSF-JOCHJYFZSA-N 432.432 4.202 5 20 IIBD Cc1c(C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 920228861 AVIBDMQSULRPFO-UHFFFAOYSA-N 426.360 4.068 5 20 IIBD CC[C@@H]1CCCCN1C(=O)COC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 920543729 AHBBJMYMUFOIJF-FUHWJXTLSA-N 440.500 4.111 5 20 IIBD COC(=O)c1ccc([C@H](C)OC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 920801527 RNHDQQHKWSMZTJ-INIZCTEOSA-N 437.452 4.161 5 20 IIBD CCc1ccc([C@H](NCc2ccccc2N2CCN(C)CC2)c2ccc([N+](=O)[O-])cc2)o1 1116555728 USADDIYLGQYMAA-RUZDIDTESA-N 434.540 4.381 5 20 IIBD O=C1Nc2ccccc2[C@@H]1C1CCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 1320041448 LKZLNSUWEKXJQM-IBGZPJMESA-N 425.876 4.003 5 20 IIBD O=C(Nc1ccnn1Cc1ccc(Br)cc1)N1Cc2ccc([N+](=O)[O-])cc2C1 1320484151 UFLWFVUFVAHFGN-UHFFFAOYSA-N 442.273 4.150 5 20 IIBD C[C@H](OC(=O)[C@H](C)OC1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1320892420 QEJFNBLLQGTEDW-RYUDHWBXSA-N 432.395 4.222 5 20 IIBD C[C@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1nc(-c2ccc(Cl)cc2)no1 1333720076 WEZKREHXBSRUIA-LBPRGKRZSA-N 427.848 4.127 5 20 IIBD Cc1ccncc1CCC(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1 1785747977 HPQMYAGEBOYUGJ-UHFFFAOYSA-N 448.479 4.272 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccc(C2(NC(=O)C3(F)CCC3)CCC2)cc1 1786208183 KSAHNRDJMAIXCZ-VQHVLOKHSA-N 427.432 4.227 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2occc2c1 1797567522 LACOTXDKBFAFAY-IYUUKPBGSA-N 445.475 4.306 5 20 IIBD C[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1)c1cccs1 1832141261 ZBDLXNPAAVJVBD-WBVHZDCISA-N 445.541 4.286 5 20 IIBD CC(C)Cn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1ccco1 9567235 YWCIVIJXRJMEMX-UHFFFAOYSA-N 435.893 4.487 5 20 IIBD NC(=O)[C@H](OC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccccc1 11745562 MFSGSOWJZKRBNT-LJQANCHMSA-N 426.812 4.424 5 20 IIBD CCOc1ccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1[N+](=O)[O-] 16237603 JCTPSINJNGUCRH-UHFFFAOYSA-N 438.509 4.261 5 20 IIBD Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1[N+](=O)[O-] 20991437 NBGGWCNOWFCQHW-SNVBAGLBSA-N 441.318 4.014 5 20 IIBD CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H](C)Oc1cccnc1[N+](=O)[O-] 21147269 KZUQVXIZEZYFRT-ZDUSSCGKSA-N 441.465 4.301 5 20 IIBD C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 23918636 RTWZNLOWOQJJEL-ZDUSSCGKSA-N 430.917 4.377 5 20 IIBD C[C@H](OC(=O)CSc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(C(F)(F)F)cc1 25060175 OMMHEJIAHCZBJZ-NSHDSACASA-N 428.388 4.276 5 20 IIBD NC(=O)c1ccc(SCC(=O)N2CCC(c3cccc4ccccc34)CC2)c([N+](=O)[O-])c1 58725690 LNFMHFPBSQABJL-UHFFFAOYSA-N 449.532 4.345 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNCCCS(=O)(=O)Cc3ccccc3)s2)cc1 237988694 WJOVSQQCKWSRPY-UHFFFAOYSA-N 430.551 4.418 5 20 IIBD O=c1c(Cl)c(N[C@H](c2ccccc2)c2nccs2)cnn1-c1ccc([N+](=O)[O-])cc1 301193960 MUOLIOJFLQBVRH-GOSISDBHSA-N 439.884 4.452 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N1CCC[C@H](c2nccs2)C1 302024697 GEYXUKBFMGKJAQ-HNNXBMFYSA-N 444.538 4.236 5 20 IIBD CCCn1nccc1C1CCN(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 410288531 QUMSTBZTXPBQSR-GOSISDBHSA-N 439.560 4.457 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 427782778 OLIJAFWJNFSZLR-LBPRGKRZSA-N 441.962 4.152 5 20 IIBD C[C@@H](NC(=O)Nc1ccc(F)cc1I)c1cccc([N+](=O)[O-])c1 428799903 KTDSFCRQVAKOJM-SECBINFHSA-N 429.189 4.221 5 20 IIBD COc1ccc(CNC(=O)Nc2ccnn2Cc2cccc3ccccc23)cc1[N+](=O)[O-] 429755662 YOVOJZDJKBGYON-UHFFFAOYSA-N 431.452 4.323 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@@H]2CC(C)(C)c3ccccc32)cc(Br)cc1[N+](=O)[O-] 430319858 NIAIZFAGXZMQHN-MRXNPFEDSA-N 446.301 4.143 5 20 IIBD C[C@H]1CC[C@@H](C)N1[C@H]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 436240743 JPJPJASSHQPKJR-UXLLHSPISA-N 439.506 4.437 5 20 IIBD CCc1nccn1[C@H]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 436423838 AYOZDHPLIXMHPL-HNNXBMFYSA-N 436.462 4.196 5 20 IIBD COc1cccc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2O)c1OCc1ccccc1F 436676965 VAZUTPLCNILXBA-UHFFFAOYSA-N 440.427 4.299 5 20 IIBD Cc1ccc([C@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@@H](C)S(C)(=O)=O)cc1 437872443 GNKGTCXUVMYRSD-FOIQADDNSA-N 432.542 4.105 5 20 IIBD CC(=O)Nc1ccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(Cl)c1 437949500 DSRICQPKGUKXHS-UHFFFAOYSA-N 432.864 4.282 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)Nc2cnn(CCC(C)C)c2C)cc1[N+](=O)[O-] 440810208 CGCRFXOAJORDTJ-UHFFFAOYSA-N 445.339 4.018 5 20 IIBD CCO[C@H](C)c1nc(CN2CCN(Cc3cc([N+](=O)[O-])ccc3OC(C)C)CC2)cs1 441355260 JFLRSMALCIOSBA-QGZVFWFLSA-N 448.589 4.254 5 20 IIBD CC(C)(C)Oc1ccc(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)c(C(F)(F)F)c1 442560326 WPCGXAWQGASJAT-UHFFFAOYSA-N 439.390 4.046 5 20 IIBD O=C(C[C@@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1cccs1 446375132 UVPWHQHJXPOPDQ-ZDUSSCGKSA-N 437.315 4.225 5 20 IIBD O=[N+]([O-])c1ccc2nc(CNCc3cn(-c4ccccc4)nc3-c3ccncc3)[nH]c2c1 446840578 GWRPCCKIDHKXKQ-UHFFFAOYSA-N 425.452 4.009 5 20 IIBD CCOCCCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H](C(F)(F)F)[C@@H]1C 460682882 DYDOTXOUHKBOHD-YOEHRIQHSA-N 441.454 4.447 5 20 IIBD O=C(Nc1ncc(-c2ccc(Cl)cc2)s1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 461080019 APEGLNQWTLKZJN-UHFFFAOYSA-N 426.845 4.205 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)c1nnc(-c2cc3ccccc3o2)n1C[C@@H]1CCOC1 461562326 NZBJKNWVHVQXLT-SFHVURJKSA-N 447.495 4.315 5 20 IIBD Cc1cccc(S(=O)(=O)CCCSc2nc3cc4ccccc4cc3c(=O)n2C)c1 463406559 RGLDDOKITOOXGP-UHFFFAOYSA-N 438.574 4.351 5 20 IIBD NC(=O)[C@H](NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccc(F)cc1 463748775 LDCIETVQFVCAEF-HXUWFJFHSA-N 429.835 4.496 5 20 IIBD O=C(Nc1ccc(CC(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)cc1)C1CC1 463847388 FRLYUAONRUKBSD-UHFFFAOYSA-N 435.402 4.077 5 20 IIBD CCO[C@H](C)c1nc(CN2CCN(C(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)CC2)cs1 463958618 MEXJVWBFYWDCQW-MRXNPFEDSA-N 447.561 4.115 5 20 IIBD COc1cc(CCNC(=O)[C@@H](C)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])cc1OC 466979943 COIUMMCYKMNPQG-LBPRGKRZSA-N 426.391 4.093 5 20 IIBD CC(C)(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)cc1 468090719 XIZXWSFNOCMGAX-UHFFFAOYSA-N 428.413 4.021 5 20 IIBD C[C@H](CCc1ccccc1[N+](=O)[O-])NCCC(=O)N(C)Cc1ccccc1Br 468421437 UIQXQGCNULVZMD-MRXNPFEDSA-N 448.361 4.317 5 20 IIBD C[C@@H]1OCC[C@]12CN(C(=O)c1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)C[C@@H](C)O2 468522345 HPHZBERWSTWPEB-GTQRCTGISA-N 446.887 4.449 5 20 IIBD CC(C)[C@H]1C[C@@H](NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c2ccccc21 468887760 HJPWQQSZYWVBAK-QZTJIDSGSA-N 437.525 4.489 5 20 IIBD Cc1c([C@H](NC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)C(C)C)oc2ccccc12 469400724 XPAFBDHOBZTFLC-JOCHJYFZSA-N 449.463 4.430 5 20 IIBD O=C(CSCc1nc(O)c2c3c(sc2n1)CCCC3)Nc1cc(F)cc([N+](=O)[O-])c1 470698143 WIGNLEIEWWOZQM-UHFFFAOYSA-N 448.501 4.195 5 20 IIBD O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1Cc1cc(Br)cc2cccnc12 470830661 JDPUUPYXAUGRKC-UHFFFAOYSA-N 437.253 4.178 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1c[nH]c2ncc(Br)cc12 473220064 IOAFNXOAIKNVHF-UHFFFAOYSA-N 443.179 4.182 5 20 IIBD O=C(NCCNc1ccccc1[N+](=O)[O-])N[C@H](c1cccc(Cl)c1)c1ccccn1 473872261 ABIVBSPMQQAQJL-HXUWFJFHSA-N 425.876 4.144 5 20 IIBD CCN(C)C[C@H]1CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 478295893 AVKTVWQAEHOUNV-MRXNPFEDSA-N 430.936 4.274 5 20 IIBD COc1cc(-c2noc(-c3ccn(-c4ccccc4[N+](=O)[O-])n3)n2)cc(Cl)c1OC 478750047 XWUHDEWRZGVMJV-UHFFFAOYSA-N 427.804 4.168 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(/C=C/c3ccco3)s2)c(C(F)(F)F)c1 479195181 PLKFMTFULAWZEP-GQCTYLIASA-N 446.388 4.029 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O 481044720 YURJLVKUIKAZJP-CQSZACIVSA-N 436.390 4.157 5 20 IIBD CC[C@@H](NCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 481312955 XIVRBELGHXFXRQ-HTAPYJJXSA-N 431.558 4.256 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2c(C)nn(Cc3ccccc3)c2C)cc1SC 481951977 KGQMWGCMBAGEJP-UHFFFAOYSA-N 440.525 4.117 5 20 IIBD CN(Cc1ccc(Br)cc1Cl)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 482349245 HYVRBUSFGOEJKT-UHFFFAOYSA-N 449.692 4.469 5 20 IIBD Cc1ccc([C@H](C)NCCC(=O)N(C)Cc2ccccc2Br)cc1[N+](=O)[O-] 482896779 UUQIDGRTEKGQHV-HNNXBMFYSA-N 434.334 4.365 5 20 IIBD CSc1cccc(C(=O)N2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)c1[N+](=O)[O-] 486466214 JTAVCWIJGOAQIW-MRXNPFEDSA-N 442.541 4.299 5 20 IIBD O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 487073792 QAOHXBQCIZHMIB-UHFFFAOYSA-N 442.479 4.121 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ccc(Oc2cccc(F)c2F)nc1 487135421 MLRIMCBILCVJHG-UHFFFAOYSA-N 443.362 4.013 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Nc2cccc(Cl)c2OCC(F)F)c([N+](=O)[O-])c1 487481992 DZAVFSXWQHATNL-JTQLQIEISA-N 429.807 4.340 5 20 IIBD O=C(NCC(=O)N1CCc2ccccc2C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 487566367 BUQGSSWKCFLZLN-UHFFFAOYSA-N 447.516 4.061 5 20 IIBD O=C(NCCN1CCSCC1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 488920350 XLOLJXYJDJTWNJ-UHFFFAOYSA-N 437.974 4.178 5 20 IIBD Cc1c(Br)cc(C(=O)N(C[C@@H](C)c2ccccc2)[C@@H](C)CO)cc1[N+](=O)[O-] 489463910 ARVNOXRMRFXCHP-KGLIPLIRSA-N 435.318 4.292 5 20 IIBD Cc1ccc([C@@H](CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])N2CCCC2)cc1 489710537 DSMZYCAJEMIDRG-OXJNMPFZSA-N 431.920 4.277 5 20 IIBD Cc1ccc(CCN(CC(F)(F)F)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1 489979260 HVMGSBLFWBOXPO-UHFFFAOYSA-N 432.402 4.336 5 20 IIBD C[C@H]1C[C@H]1c1cc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n[nH]1 490244460 KSOWACWHHIGSTE-MGPUTAFESA-N 442.479 4.475 5 20 IIBD O=C(N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)c1c[nH]c2cc([N+](=O)[O-])ccc12 490603431 BXOGBPRSAOFDEC-JOCHJYFZSA-N 441.447 4.372 5 20 IIBD CC[C@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1OCC(=O)N(C)C 494508599 IXNMVLVKFMCGRO-SFHVURJKSA-N 439.434 4.322 5 20 IIBD CCOC(=O)c1csc(CNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n1 494987404 UFVSHSVILRXVGO-UHFFFAOYSA-N 443.506 4.309 5 20 IIBD CCC[C@@]1(C(F)(F)F)CCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br 499070251 PUIDGJAFMHXMRY-HNNXBMFYSA-N 438.244 4.493 5 20 IIBD COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1cc([N+](=O)[O-])ccc1OC)CC2 502929930 WBDIIGPCCGHWOO-XMMPIXPASA-N 448.475 4.409 5 20 IIBD COc1ccccc1SC[C@H](C)CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 505076678 URTRTXQIOBLWKK-OAHLLOKOSA-N 440.525 4.162 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc(F)cc1OCCC(F)(F)F 505852092 ZUEPNGUNODLIHT-UHFFFAOYSA-N 431.342 4.395 5 20 IIBD COc1ccc(CN2CCC(C(=O)Nc3cccc(Br)c3)CC2)cc1[N+](=O)[O-] 507307837 VSADLWQWWFZCHX-UHFFFAOYSA-N 448.317 4.217 5 20 IIBD COc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c(C)c1OC 510833309 ZJMXYJYPGIXEIF-CQSZACIVSA-N 443.500 4.034 5 20 IIBD COc1cc(C(=O)N(C)CCOc2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC(F)F 511731330 VSQCKTHODZLBKP-UHFFFAOYSA-N 430.791 4.009 5 20 IIBD NC(=O)CC[C@@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 512663013 FATLZQQAZLSXDR-ZDUSSCGKSA-N 436.306 4.095 5 20 IIBD Cc1ccc(CN[C@@H](c2cccc([N+](=O)[O-])c2)c2nccn2C)c(OC[C@@H]2CCCO2)c1 513716373 ASFNXLRAKGIYGW-GMAHTHKFSA-N 436.512 4.074 5 20 IIBD O=C(c1ccccc1CS(=O)(=O)c1ccccc1)N1CCCc2c1cccc2[N+](=O)[O-] 513841158 MXESSFCIANENKI-UHFFFAOYSA-N 436.489 4.162 5 20 IIBD CC(=O)c1sc(NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)nc1-c1ccccc1 514902068 WBTITOWKNZAZIZ-UHFFFAOYSA-N 448.464 4.062 5 20 IIBD O=C(c1cc(C(=O)N2CC[C@H](CC3CC3)C2)cc([N+](=O)[O-])c1)N1CC[C@H](CC2CC2)C1 517613505 ZKOVFVOMHHECFH-RTBURBONSA-N 425.529 4.119 5 20 IIBD O=C(c1ccc2ncccc2c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 520150080 IDJVKSLVIIMPGE-UHFFFAOYSA-N 430.386 4.124 5 20 IIBD CC[C@H](C)NC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c(C)c1 520592562 ZHAUCDZUZUGYNU-KBPBESRZSA-N 433.892 4.491 5 20 IIBD CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 522159473 DNVOZDJFIGGYBX-RHSMWYFYSA-N 439.603 4.163 5 20 IIBD COc1ccc(CNC(=O)Nc2cccc(CSC3CCOCC3)c2)cc1[N+](=O)[O-] 522604612 RDCRVLBERUKVSN-UHFFFAOYSA-N 431.514 4.337 5 20 IIBD CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 522873678 MHOGFHRVTHDILK-UHFFFAOYSA-N 440.725 4.215 5 20 IIBD Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 522955699 YEOYUZOYEIVEAX-UHFFFAOYSA-N 439.472 4.221 5 20 IIBD Cc1cccc(N(CCC(N)=O)C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 523180641 ALBCWLWKCDDDKU-UHFFFAOYSA-N 432.480 4.038 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 523729685 HDTSWFSUBJEWIX-INIZCTEOSA-N 431.514 4.027 5 20 IIBD CC[C@@H](C)[C@@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 524106445 NPHLAQNOBWXBCJ-OPAMFIHVSA-N 438.528 4.287 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Nc2cccc(OCC(F)(F)F)c2C)c([N+](=O)[O-])c1 524322995 FRHLLIZVBRZMME-LBPRGKRZSA-N 427.379 4.292 5 20 IIBD C[C@@H](NC(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 524566090 LVLQWCMWJIUVAQ-MRXNPFEDSA-N 439.493 4.451 5 20 IIBD COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)Cc1cccc([N+](=O)[O-])c1)CC2 525109109 OGAQQSCPZGMUMX-VWLOTQADSA-N 432.476 4.329 5 20 IIBD CN(Cc1ccc(O)cc1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 531080857 AJWLTBRYISCKSC-UHFFFAOYSA-N 442.475 4.354 5 20 IIBD Cc1ccc(-c2csc3ncnc(-n4cc(Br)c(=O)c([N+](=O)[O-])c4)c23)cc1 532421512 SBLHSSUWVUHFOH-UHFFFAOYSA-N 443.282 4.488 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O 533303080 BRFKRXYTLUDPMP-UGSOOPFHSA-N 441.875 4.097 5 20 IIBD CC[C@H](CS(=O)(=O)c1ccccc1)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 533563728 CMEABWSGHRPJSX-MRXNPFEDSA-N 431.539 4.060 5 20 IIBD O=C(CC[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Nc1ccccc1Cl 534061293 FJOZIXCDJJFXIR-LJAQVGFWSA-N 433.873 4.181 5 20 IIBD C[C@H](C(=O)Nc1ccc(Cl)cc1)[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534796506 PZOVLIYMXIGXEF-ZNNHIBJESA-N 433.873 4.179 5 20 IIBD CN([C@@H](c1ccncc1)c1ccc(Cl)cc1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] 536587582 JQDVIYNVTUXHLT-OAQYLSRUSA-N 445.928 4.237 5 20 IIBD C[C@H](CCc1ccccc1[N+](=O)[O-])NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 536851667 MNGYSMUBIAUEAE-LLVKDONJSA-N 427.814 4.421 5 20 IIBD CN1CC=C(CNC(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)CC1 537271601 ANCXVGBAQQZUDW-UHFFFAOYSA-N 448.882 4.241 5 20 IIBD CN(C(=O)CCCc1nc(O)c2ccccc2n1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 538255893 UBHGMFXTERZEIU-UHFFFAOYSA-N 449.492 4.353 5 20 IIBD CS(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1C(F)F 539512700 XPOQZKVHCWWSCR-UHFFFAOYSA-N 438.330 4.207 5 20 IIBD CC(C)(NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1Br 540423665 CGTPFEHVUKPSRH-UHFFFAOYSA-N 426.698 4.474 5 20 IIBD Cn1ccnc1[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(F)c1 541263845 LICAQWTZIFIFKJ-SFHVURJKSA-N 434.880 4.119 5 20 IIBD C[C@@H](C(=O)Nc1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1F 542613008 QSJDFRFBAKNMMZ-CQSZACIVSA-N 443.456 4.277 5 20 IIBD C[C@@H](C(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1)c1ccc([N+](=O)[O-])cc1F 543467176 CAKNKZWJMASTCD-OAHLLOKOSA-N 428.460 4.237 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)N[C@H](C(C)(C)C)C(F)(F)F)c1ccccc1[N+](=O)[O-] 547855608 WRSMELNDLFIZRJ-CZUORRHYSA-N 433.427 4.254 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@H](c2ncc[nH]2)C(C)C)c([N+](=O)[O-])c1 550346382 YTBLGNYMHLWAAL-FQEVSTJZSA-N 443.529 4.342 5 20 IIBD COc1ccc(CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)[C@H](C)C2CC2)c(OC)c1 554838788 DWMQCWUWRYMCQC-CQSZACIVSA-N 429.473 4.453 5 20 IIBD COc1ccc(NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)c(Br)c1 555706974 QRCWYLSADFVWMH-UHFFFAOYSA-N 441.303 4.246 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 555889304 OXDXWSJLMFJFTD-RUZDIDTESA-N 445.722 4.450 5 20 IIBD C[C@@H](C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1cccc([N+](=O)[O-])c1 559337313 YZQYCEYYXFCROQ-GFCCVEGCSA-N 442.825 4.114 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] 560186980 BJZVSSBTYOIHKP-PKOBYXMFSA-N 445.903 4.131 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(CC(=O)N[C@H](C)c2ccc(OC)cc2)no1 565329488 FRXDSALOIUNTPP-NVXWUHKLSA-N 438.484 4.143 5 20 IIBD COc1ccc(NC(=O)NCCc2c[nH]c3cccc(Br)c23)cc1[N+](=O)[O-] 567370718 VVURWWBBRKCXMR-UHFFFAOYSA-N 433.262 4.211 5 20 IIBD Cc1ccc2nc([C@@H]3CCCN(c4ccc([N+](=O)[O-])c(C(=O)N5CCCC5)c4)C3)[nH]c2c1 569278630 BEAUJBPVRZPRKR-QGZVFWFLSA-N 433.512 4.400 5 20 IIBD COc1cc(C(=O)N[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)c([N+](=O)[O-])cc1OC 569528953 OKHWILKYANLOHP-GOSISDBHSA-N 440.374 4.392 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3ccncc3)c(C)c2)cc1OC 571391884 BHBUYVGLNMFNFC-UHFFFAOYSA-N 437.452 4.251 5 20 IIBD COc1ccccc1C1(CNC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCC1 574409526 RBNZPSQQPZQDAA-UHFFFAOYSA-N 439.512 4.078 5 20 IIBD COc1c(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc(Cl)cc1C(N)=O 576011696 SLRJNDZMNWIHGD-UHFFFAOYSA-N 440.843 4.352 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] 578252101 DQCWPLJWMNDIKH-SUMWQHHRSA-N 433.867 4.296 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CCC(c2noc3cc(F)ccc23)CC1 581758369 FQLGTJMFUOMFFY-UHFFFAOYSA-N 440.475 4.091 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc(-c3cn4ccc(C)cc4n3)cc2)cc([N+](=O)[O-])c1 589273445 YDVPFQRJVLKVTF-UHFFFAOYSA-N 430.420 4.257 5 20 IIBD COc1cc(CN[C@@H]2CC[C@](O)(C(F)(F)F)C2)c([N+](=O)[O-])cc1OCc1ccccc1 589938514 UTFSIQPCGZOALI-OXQOHEQNSA-N 440.418 4.118 5 20 IIBD Cc1ccc2nc(COc3cccc(C(=O)N4CCc5cc([N+](=O)[O-])ccc54)c3)cn2c1 591602037 IEQUGPVFOOGSKL-UHFFFAOYSA-N 428.448 4.333 5 20 IIBD CNS(=O)(=O)c1ccc(N[C@@H](c2ccccc2)c2cccc(Cl)c2)c([N+](=O)[O-])c1 603866637 GJNITEYNSCURGP-FQEVSTJZSA-N 431.901 4.358 5 20 IIBD COC(=O)c1ccc(OCC(=O)Nc2ccc(N3CCc4ccccc43)cc2)c([N+](=O)[O-])c1 603906952 OJCCCIDQDIBOAS-UHFFFAOYSA-N 447.447 4.093 5 20 IIBD CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)cc1 603952783 AAMLBSRBOKOLHO-AWEZNQCLSA-N 439.497 4.167 5 20 IIBD C[C@@H](NC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1)c1cccc([N+](=O)[O-])c1 603966850 INFDXIDUPIAIKI-QRQCRPRQSA-N 431.448 4.028 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c(Cl)c1 603970313 VJJIDQVECYRCLC-UHFFFAOYSA-N 434.886 4.425 5 20 IIBD Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)COc1ccccc1[N+](=O)[O-] 603977249 ZDIJIEDRSSPJOW-HZPDHXFCSA-N 425.485 4.039 5 20 IIBD CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 609442280 TXZADUADCGIECS-NRFANRHFSA-N 428.460 4.323 5 20 IIBD COc1ccc(-c2ccc(CNCc3ccnc(OC4CCOCC4)c3)o2)c([N+](=O)[O-])c1 609600809 WVMVMOCKMBAQHW-UHFFFAOYSA-N 439.468 4.106 5 20 IIBD O=C(NCCOc1ccc(F)cc1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 609855632 NDELWPKAQQIRCO-UHFFFAOYSA-N 439.230 4.035 5 20 IIBD CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)cc21 610041713 SAMQDVNFOUOJJC-UHFFFAOYSA-N 425.485 4.283 5 20 IIBD Cn1c([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2Br)nc2ccccc21 610042905 HAOMXJHCNFUISH-QGZVFWFLSA-N 429.274 4.221 5 20 IIBD CN(C)c1nc(CNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)cs1 610467944 LERCPRWHVDLDIX-UHFFFAOYSA-N 445.932 4.313 5 20 IIBD COc1cc(CN2CCC([C@H]3CCOC3)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 612402138 NJNZVSAANMPTSE-FQEVSTJZSA-N 426.513 4.431 5 20 IIBD COc1ccc(-c2ccc(CNCC(=O)Nc3cccc4cccnc34)o2)c([N+](=O)[O-])c1 726605938 LUYGZEFBAHXRFW-UHFFFAOYSA-N 432.436 4.140 5 20 IIBD COc1ccccc1/C(C)=C/C(=O)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C 727295438 LZGGMXJPCNSZNT-FOWTUZBSSA-N 436.468 4.494 5 20 IIBD COc1ccc(CC(=O)O[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)cc1[N+](=O)[O-] 727882348 GCUXETRDRPKPAN-HSZRJFAPSA-N 434.448 4.378 5 20 IIBD O=C(OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1cc2c(F)cccc2s1 730703908 PZQFEIXCTXAECF-ZDUSSCGKSA-N 428.441 4.410 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)[C@H]2C[C@@H]2c2cccc3ccccc23)c([N+](=O)[O-])c1 730877904 RPBVFVFJHRJUNR-KPOBHBOGSA-N 434.448 4.431 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)Oc2ccc(C(=O)N3CCc4sccc4C3)cc2)c1 731336655 MMGHCCSUTHZVBC-UHFFFAOYSA-N 438.461 4.083 5 20 IIBD C[C@@H]1Sc2ccc(C(=O)OCc3cnc(-c4ccc([N+](=O)[O-])cc4)o3)cc2NC1=O 735442365 JITLGHBNISBJKH-NSHDSACASA-N 425.422 4.040 5 20 IIBD CC(C)(C)c1noc(COC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)n1 736862129 BNJGHOHMGLWIMH-UHFFFAOYSA-N 440.243 4.125 5 20 IIBD C[C@@H](OC(=O)c1cccc(C(F)(F)F)c1N)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 741004740 ZGOBQZSQBZGKGD-MRVPVSSYSA-N 431.754 4.033 5 20 IIBD C[C@H](OC(=O)c1cc(OC2CCCCC2)c(F)cc1N)C(=O)Nc1ccccc1[N+](=O)[O-] 741034710 XJGHKGUZEDCBNC-ZDUSSCGKSA-N 445.447 4.212 5 20 IIBD CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 741932340 TVVUSMFEQQJRFU-XOBRGWDASA-N 430.888 4.291 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCCNc2ccccc2)cc1[N+](=O)[O-] 743460776 NGPFBLMXTFKHSO-UHFFFAOYSA-N 435.505 4.390 5 20 IIBD O=C(Cn1cccc(C(F)(F)F)c1=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 743789840 XVDCHNMIGLPYLG-UHFFFAOYSA-N 431.370 4.009 5 20 IIBD O=C(Nc1cccc(C(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)c1)[C@@H]1CCCO1 745344745 JFIFAPQLQBJJJX-FQEVSTJZSA-N 443.887 4.423 5 20 IIBD CC(C)N(Cc1cc(Br)ccc1F)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 746181575 KGMUPOBXPLNFOY-UHFFFAOYSA-N 449.273 4.235 5 20 IIBD C[C@@H]1Oc2ccc(C(=O)C3CCN(Cc4cc(Cl)ccc4[N+](=O)[O-])CC3)cc2NC1=O 746665783 GAYBKUHLRYVNBG-ZDUSSCGKSA-N 443.887 4.063 5 20 IIBD Cc1c(C(=O)OCC(=O)N[C@@H](c2cccs2)C(C)(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748944846 QJWXCSKFLIKMRO-SFHVURJKSA-N 449.485 4.242 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 751071529 ADDIBCQYAWLDDJ-SFHVURJKSA-N 429.345 4.266 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1I)c1c(F)cccc1Cl 752380057 MAVBBCUOABHQCX-QMMMGPOBSA-N 448.619 4.483 5 20 IIBD O=C(c1ccc(I)c([N+](=O)[O-])c1)N(CC1CCC1)CC(F)(F)F 752416696 DOZZJBOVFAPQAY-UHFFFAOYSA-N 442.175 4.004 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N[C@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] 752923009 ASCCXUJSTWBTJK-JZXOWHBKSA-N 434.537 4.299 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2C[C@@H](CCN3CCCC3=O)c3ccccc32)cc1[N+](=O)[O-] 753042137 WJIDNQKGFULIHH-IEBWSBKVSA-N 436.512 4.290 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCC[C@H]2C(=O)OCc2ccccc2)cc1[N+](=O)[O-] 753080003 QNILWGRFWWGCCJ-KRWDZBQOSA-N 447.285 4.014 5 20 IIBD CC(C)(CO)[C@@H](CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 755028013 IJUYIEJFYANXCZ-HNNXBMFYSA-N 436.306 4.281 5 20 IIBD COC[C@@H](C)n1c(SCC(=O)Oc2ccc(C)c([N+](=O)[O-])c2)nnc1-c1ccccc1 755251170 SFOHSSUPSLSXHJ-OAHLLOKOSA-N 442.497 4.067 5 20 IIBD CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 755750472 LLDZOAVBJIRSEB-AWEZNQCLSA-N 448.907 4.426 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 757274525 GJNCLWLIMBVMNP-UHFFFAOYSA-N 443.818 4.435 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cnc(Cl)c(Br)c2C)c1 758947304 NVBWECBSQMDXTA-UHFFFAOYSA-N 434.699 4.132 5 20 IIBD Cn1cc(-c2ccccc2CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cn1 759979499 FGBRUTLXAYKQDD-UHFFFAOYSA-N 430.262 4.080 5 20 IIBD CC[C@H](OC1CCCCC1)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 761555181 YLRSYLHSMHHLRT-INIZCTEOSA-N 432.395 4.223 5 20 IIBD CC(C)(C)OC(=O)N1CC(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 762649793 MPDHKWTZABPVMT-UHFFFAOYSA-N 443.525 4.343 5 20 IIBD O=C(NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1ccccc1Sc1ccccc1 762727085 PZQNBGFQXUPFOU-UHFFFAOYSA-N 442.518 4.048 5 20 IIBD CC(C)(C(=O)OCc1cc(=O)oc2cc3c(cc12)CCC3)c1ccc([N+](=O)[O-])cc1F 763001571 WZQJERJDAAUOSB-UHFFFAOYSA-N 425.412 4.350 5 20 IIBD COc1ccc(Br)c(OC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c1 763548705 VEWYZXHDHMVOCC-UHFFFAOYSA-N 448.172 4.195 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 764163305 XYMTYLAQMILBJW-SFHVURJKSA-N 442.447 4.290 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@H](C)c1cc(C)ccc1F 764712755 GQNPPPATTMBQPW-AUUYWEPGSA-N 434.489 4.198 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)CCCCCO[C@H]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1C 766613997 NCIHTBQBMCVFQM-YJBOKZPZSA-N 440.562 4.172 5 20 IIBD O=C(c1nc2ccccc2s1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 766859694 ZGURBSVDIYVWJQ-UHFFFAOYSA-N 436.415 4.186 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N2CCCCC[C@H]2CC(=O)c2ccco2)cc1[N+](=O)[O-] 767867619 DEAIVVZHDASTAE-AWEZNQCLSA-N 440.905 4.356 5 20 IIBD O=[N+]([O-])c1cccc(Br)c1OS(=O)(=O)c1ccccc1OC(F)(F)F 769927185 SNUJNWNXVXPYJE-UHFFFAOYSA-N 442.165 4.024 5 20 IIBD Cc1cc2c(N3CCC[C@H]3C(=O)OCc3ccc(Cl)cc3[N+](=O)[O-])ncnc2s1 770185384 SSGDMXVFMCIJFQ-HNNXBMFYSA-N 432.889 4.274 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2cnccc2Cl)c2ccccc2)c([N+](=O)[O-])c1 771067945 RTTXUBBYROBXPL-IBGZPJMESA-N 425.828 4.488 5 20 IIBD CCCN(C(=O)c1ccccc1NC(=O)NCc1cc([N+](=O)[O-])ccc1OC)C(C)C 771524599 AFYDBWCJHISETH-UHFFFAOYSA-N 428.489 4.186 5 20 IIBD COc1ccc([C@@H](OC)[C@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1 772884322 PZADRPQDCXKIGB-BTDLBPIBSA-N 441.253 4.011 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1scnc1-c1ccccc1 773378079 DEWPQNXXUXWRII-UHFFFAOYSA-N 440.300 4.282 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](CCOC(=O)c2sc(Br)cc2[N+](=O)[O-])C1 774238646 YLYSCUPJZFVHBX-SNVBAGLBSA-N 449.323 4.223 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)N1CCc2sccc2C1 775087086 PELLBJLQIURDMV-ZDUSSCGKSA-N 434.539 4.287 5 20 IIBD Cc1ccc(-n2nnc(C(=O)O[C@@H](c3cccnc3)c3ccccc3[N+](=O)[O-])c2C)cc1 776136739 LGBQUIRMVLXFAI-QFIPXVFZSA-N 429.436 4.134 5 20 IIBD O=[N+]([O-])c1ccc([C@@H](O)CSc2nnc(-c3cccnc3)n2Cc2ccccc2)cc1 776272416 SSAOBCHLOJKTFD-FQEVSTJZSA-N 433.493 4.122 5 20 IIBD C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 778147480 BNNWEMDBJHZJQU-OKILXGFUSA-N 446.529 4.188 5 20 IIBD COc1cc(OC)c(N[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Br 779056969 KPTOYGATFRQAAH-LLVKDONJSA-N 438.278 4.204 5 20 IIBD COc1cc(COC(=O)[C@@H]2SCCc3sccc32)c([N+](=O)[O-])cc1OCC(F)F 780065157 BPZGMVWJTFRUSD-QGZVFWFLSA-N 445.465 4.383 5 20 IIBD COc1ccc(CN(C)C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1F 780197553 GQUUBXPRAFILDK-UHFFFAOYSA-N 426.394 4.379 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ncccc1OCC1CCCCC1 781645306 DNGPZRXCGFVBSI-UHFFFAOYSA-N 428.445 4.428 5 20 IIBD O=C(CCN1CCc2cc(Br)cc(F)c2C1)Nc1cc([N+](=O)[O-])ccc1F 782531910 UNMPSNJVBDXOLQ-UHFFFAOYSA-N 440.244 4.022 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(OCC(F)(F)F)cc1 783313357 OLIFVBIQCFEKOV-JTQLQIEISA-N 445.781 4.005 5 20 IIBD Cc1cc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCC(F)(F)F 784957916 JWNZXQXWSAATIG-UHFFFAOYSA-N 431.754 4.075 5 20 IIBD Cc1ccc(CCN(Cc2ccco2)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 785027363 OYEPQQTYCLKWBZ-UHFFFAOYSA-N 441.871 4.360 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cc(Br)cnc1Cl 785659631 HWNQIBVWYRDHKG-UHFFFAOYSA-N 438.587 4.355 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)OCC(=O)N[C@H](C)c3cccs3)cc2[N+](=O)[O-])C1 787438009 WXQRQQNIZLMUIJ-BZUAXINKSA-N 445.541 4.173 5 20 IIBD O=[N+]([O-])c1cc(CSc2nnc(NC[C@H]3CCCO3)s2)ccc1Br 788099452 OEZGJJXMWKDEJC-SNVBAGLBSA-N 431.337 4.092 5 20 IIBD COc1ccc(OC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 791775930 NIAFZIQEBMURSI-KZULUSFZSA-N 439.251 4.035 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)OCc2csc(Cl)n2)cc1[N+](=O)[O-] 793226448 WZMZEKPPNMIBOB-UHFFFAOYSA-N 445.884 4.359 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@H](C)Oc1ccc2ccccc2c1 795720778 SGFSLUAAGAKCOV-GJZGRUSLSA-N 438.436 4.094 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc2nc(-c3ccccc3)oc2c1 796047495 VPQZBWNVWQKCER-UHFFFAOYSA-N 447.403 4.207 5 20 IIBD CCOC(=O)Oc1ccc(C(=O)O[C@H]2CCCN(c3ccc(F)cc3[N+](=O)[O-])C2)cc1 800408896 GROHXRRGGXYTCJ-KRWDZBQOSA-N 432.404 4.095 5 20 IIBD CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1cc([N+](=O)[O-])c(F)cc1N 801804955 RBHWVUAUBDCTRR-UHFFFAOYSA-N 443.262 4.114 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 807692316 FPXYCIOICYBZBG-OAQYLSRUSA-N 444.329 4.096 5 20 IIBD CO[C@@](C)(C(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CC1 812664450 JCZPKLKEULHHPN-GHTZIAJQSA-N 432.860 4.286 5 20 IIBD CC(C)(C)OC(=O)NCC1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 813428953 LKCGJIIJBKCWLM-UHFFFAOYSA-N 432.304 4.279 5 20 IIBD CCOC(=O)c1csc(COC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)n1 814441205 CXIXXCWYFYGJBQ-UHFFFAOYSA-N 428.422 4.377 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCc1ccc(-c2ccccc2)cc1F 815718152 QJPBANYMVBGIKA-UHFFFAOYSA-N 425.391 4.103 5 20 IIBD CCc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ncc2Br)N(CC)CC)cc1 817157473 IBYJYVLZMIVAKJ-SFHVURJKSA-N 449.349 4.128 5 20 IIBD CC(C)c1c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cnn1-c1ccccc1 913379222 BQWUBEYQTWTIRA-UHFFFAOYSA-N 442.859 4.353 5 20 IIBD C[C@@H]1CN(c2ccc(NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)cc2F)C[C@@H](C)O1 916414269 ZKQCQUPNNVSKOX-RBSFLKMASA-N 433.505 4.467 5 20 IIBD Cc1ccc(N2C(=O)C[C@H](C(=O)NCc3ccccc3[N+](=O)[O-])[C@@H]2c2cccs2)cc1 916422599 DATDWHSNODJCHX-PGRDOPGGSA-N 435.505 4.375 5 20 IIBD CCCNC(=O)c1ccc(Cl)cc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 917738676 AJCFWHVRYBUCJG-UHFFFAOYSA-N 444.919 4.243 5 20 IIBD C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1Cl 917763573 RQZOMOUNCHNMCM-GFCCVEGCSA-N 446.847 4.423 5 20 IIBD Cc1sc(NC(=O)CCNc2ccccc2[N+](=O)[O-])nc1-c1cccc([N+](=O)[O-])c1 917791261 OFVMUSNGRUJREK-UHFFFAOYSA-N 427.442 4.376 5 20 IIBD C[C@H](OC(=O)[C@H](C)Sc1ccccc1Cl)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 919508057 YMXQJHKFRRJTDK-QWRGUYRKSA-N 426.853 4.438 5 20 IIBD O=C(Nc1cccc(-n2ccnc2O)c1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 919754035 MDVAZYQWAWBCTL-UHFFFAOYSA-N 429.436 4.351 5 20 IIBD Cc1c(C(=O)OCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2ccc(F)cc12 920148062 RDOXXYKUQGYCER-UHFFFAOYSA-N 436.848 4.497 5 20 IIBD O=C(CCSc1ccc(Cl)cc1)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 920148433 MHIUCUIWABEJSL-UHFFFAOYSA-N 443.308 4.357 5 20 IIBD CC(=O)N[C@@H](CC(=O)Oc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(Br)cc1 921133483 IOTBKYIWJJEDGO-AWEZNQCLSA-N 441.665 4.184 5 20 IIBD COc1cc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])ccc1NC(=O)OC(C)(C)C 921294104 DSZYZLOLPOKUOV-UHFFFAOYSA-N 437.474 4.060 5 20 IIBD CSCc1c(C(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)oc2ccccc12 1318224428 WPBUHDYBBGBQBC-UHFFFAOYSA-N 425.510 4.162 5 20 IIBD C[C@H](OC(=O)c1ncc(Cl)s1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 1321117657 GMSURVWSNBUGKK-QMMMGPOBSA-N 438.874 4.012 5 20 IIBD COc1ccc(C[C@H](C)N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cc1 1347275307 AUDCUXJKYGQRPA-NSHDSACASA-N 433.313 4.162 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)CCc3ccco3)CCC2)cc1 1785792166 SNTPFNNEKPQDDY-UHFFFAOYSA-N 447.491 4.497 5 20 IIBD C[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc([N+](=O)[O-])o3)n[nH]2)CC1 1814313610 RWCJTJAKYFAKOO-DZKIICNBSA-N 429.477 4.043 5 20 IIBD CC(C)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)[nH]n1 1821933457 SCYNJNWJOWQKNJ-GOSISDBHSA-N 431.468 4.199 5 20 IIBD Cc1ccsc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823612302 VPPXQKUPZSHIBC-MRXNPFEDSA-N 431.514 4.105 5 20 IIBD C[C@@H]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1828481131 WDUWZNTUFAEXQO-ZUYJWARTSA-N 443.544 4.257 5 20 IIBD CC[C@H](C)CC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 1831288954 LWDGAYVMHQGASE-JTSKRJEESA-N 447.551 4.332 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CC2CCC2)CC1 1832836539 XJAZCDNYANVOLY-HXUWFJFHSA-N 443.544 4.032 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 9717199 PUPYIWUGVQZWSW-SNVBAGLBSA-N 441.665 4.045 5 20 IIBD O=C(COC(=O)COc1ccccc1-c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 10594194 MTLJAOSGKVIBLA-UHFFFAOYSA-N 440.839 4.476 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NCc1ccccc1F 14890832 YRKRSLOGDCTMCS-UHFFFAOYSA-N 430.439 4.446 5 20 IIBD COc1ccccc1/C=C(/C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 15978387 JYQSBCQZJLLEGR-KGENOOAVSA-N 432.432 4.326 5 20 IIBD CNC(=O)c1ccc(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)cc1 16015870 IAWNDJYCMBGIGI-UHFFFAOYSA-N 428.495 4.123 5 20 IIBD C[C@H](OC(=O)CSc1ccc(F)c(F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 17834755 DTUOEANHCMUOKG-VIFPVBQESA-N 430.816 4.189 5 20 IIBD CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1C 20866263 WFNJLUDEYBUALK-UHFFFAOYSA-N 449.463 4.394 5 20 IIBD C[C@@H](OC(=O)COc1ccccc1[N+](=O)[O-])C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 22512026 ZCTDREXXBLCBHJ-VXGBXAGGSA-N 441.267 4.090 5 20 IIBD CSc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(Br)c([N+](=O)[O-])c1 22720721 AIGFNCRYHFXEBQ-JTQLQIEISA-N 439.287 4.263 5 20 IIBD COc1ccc(CN(C)C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1OC 23492985 LFKIEIXVOADTEA-UHFFFAOYSA-N 435.480 4.496 5 20 IIBD Cc1nc(CSc2ccccc2C(=O)NCCNc2ccccc2[N+](=O)[O-])cs1 23626753 AJIMYMRWWYRYOM-UHFFFAOYSA-N 428.539 4.494 5 20 IIBD Cc1c(NC(=O)c2ccc([N+](=O)[O-])s2)cccc1C(=O)N1CCc2sccc2C1 26051132 VKVCCAIFQPVNJN-UHFFFAOYSA-N 427.507 4.477 5 20 IIBD COc1cc(CNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)ccc1OCc1ccccc1 27986422 OCSIDKFPQJENOI-UHFFFAOYSA-N 436.464 4.186 5 20 IIBD O=C1c2ccc(-c3nnc(-c4cccc([N+](=O)[O-])c4)o3)cc2C(=O)N1Cc1ccccc1 59313342 APLBTGHYFJVTTB-UHFFFAOYSA-N 426.388 4.108 5 20 IIBD O=C(c1cc(N2CCCN(Cc3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-])N1CCCC1 59733992 JOEMFYQHUFFEQC-UHFFFAOYSA-N 442.947 4.197 5 20 IIBD COCCN(CC(F)(F)F)C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 62918888 YQDRPZHNICMCLV-UHFFFAOYSA-N 435.449 4.162 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cccc(COCCc3ccccc3)c2)cc1[N+](=O)[O-] 64938629 GBVHVYJVMZMTMD-UHFFFAOYSA-N 442.493 4.164 5 20 IIBD CCC(CC)CN(CC)C(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 110163942 LUHZADFKAFVIME-UHFFFAOYSA-N 433.530 4.294 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(CNCc3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)C[C@H](C)O1 237765041 PLPHBZOLJUPZAD-ROUUACIJSA-N 449.507 4.394 5 20 IIBD O=[N+]([O-])c1ccccc1/C=C/CNC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 237904621 WJBRKVJKJHEMOR-GUWAZMKPSA-N 435.446 4.290 5 20 IIBD C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 248382126 VZBGRKYPOAVMOQ-LLVKDONJSA-N 431.246 4.153 5 20 IIBD COc1cc(NC2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)cc(OC)c1 301577186 SYUBYGKMMCAHRJ-UHFFFAOYSA-N 436.306 4.455 5 20 IIBD O=C(Nc1ccc(OCC(F)(F)F)c(Cl)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 410397215 XXZTVKHQWOXLCY-UHFFFAOYSA-N 441.753 4.022 5 20 IIBD COc1cc(CN(C)C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)ccc1O 427157121 GYPLINQZHYOMMZ-HOTGVXAUSA-N 427.501 4.064 5 20 IIBD CC(C)[C@@H](NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C(=O)O 427319702 HFMIUXLHFKRICQ-WLEBTQASSA-N 439.493 4.361 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc2nc(-c3ccccc3)[nH]c2c1 427798016 NHZXLHMNYWZJPK-INIZCTEOSA-N 433.472 4.009 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)NC3CCN(c4cccnn4)CC3)cc2[N+](=O)[O-])cc1 428439104 LDTBSHJBFUTXAW-UHFFFAOYSA-N 449.536 4.243 5 20 IIBD CC[C@@H]1CCCC[C@H]1N(C)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C 430337521 GFXNGBMUDKLHOQ-IUODEOHRSA-N 426.311 4.031 5 20 IIBD CCN([C@H](c1cccnc1)c1ccc(F)cc1F)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 431913944 OQLWCPZQXLCYDW-OAQYLSRUSA-N 447.463 4.377 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(c2ccc([N+](=O)[O-])c(C(=O)OCC)c2)CC1 432047149 GXXSBHNNWUAKCH-UHFFFAOYSA-N 445.541 4.354 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCCOCC(F)(F)C(F)F)c([N+](=O)[O-])c2)cc1 433806802 YZPYZEOEQORXJA-UHFFFAOYSA-N 429.370 4.484 5 20 IIBD O=C(Nc1cc(F)ccc1OCC(F)(F)F)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 435186318 COYONJMHTPPTBL-UHFFFAOYSA-N 442.369 4.029 5 20 IIBD COc1cccc(C(=O)Nc2ccc(Oc3ccc(S(C)(=O)=O)cc3)cc2)c1[N+](=O)[O-] 435714827 MEPSZLDHOBOQOA-UHFFFAOYSA-N 442.449 4.052 5 20 IIBD O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437358001 UYEHNPSHXKXJBQ-UHFFFAOYSA-N 428.779 4.460 5 20 IIBD COC(=O)c1cccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1OC(C)C 439665569 SBWDYVFQDZEHNP-UHFFFAOYSA-N 427.457 4.365 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(C)c(OCCC(C)C)c1 440020952 UYHSIDSILJPBHY-UHFFFAOYSA-N 429.473 4.304 5 20 IIBD Cc1ccc2oc(-c3nnc(NS(=O)(=O)c4c([N+](=O)[O-])ccc(C)c4C)o3)cc2c1 443153695 DSBTZYQLJOWILU-UHFFFAOYSA-N 428.426 4.117 5 20 IIBD CC[C@@]1(C)Oc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2O1 443577889 RZALKHMXXUONHP-JPYJTQIMSA-N 439.468 4.044 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 443732658 MBEFRLUJFCLESC-CQSZACIVSA-N 433.461 4.006 5 20 IIBD O=C(NCc1nc(C(F)(F)F)cs1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444096328 OVHZJPVXSFGLDK-UHFFFAOYSA-N 439.365 4.365 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@H](CN3CCCCC3)C2)c([N+](=O)[O-])c1 444218331 XSZKZDOLPCLGAC-YKSBVNFPSA-N 436.556 4.391 5 20 IIBD CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)[C@H]2CCCC[C@H]21 444670519 YFZWOYVXCAUJAD-IPNHASCSSA-N 427.549 4.155 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cnn(C)c3C(F)(F)F)cc2[N+](=O)[O-])C1 446375482 ZXIBXSJHNGTYDP-RYUDHWBXSA-N 425.411 4.082 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)cc1OC(F)F 447010230 HMUCIQSEYIHIRG-UHFFFAOYSA-N 437.218 4.068 5 20 IIBD Cc1ccc(-c2noc(CCC(=O)N3CCS[C@H]3c3ccc([N+](=O)[O-])cc3)n2)cc1F 460352965 OQUXHDIJJCPCCT-NRFANRHFSA-N 442.472 4.299 5 20 IIBD O=C(c1ccc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nc1)N1CCc2ccccc21 462958558 WHVAOZWJYBURPP-UHFFFAOYSA-N 444.491 4.241 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3nc(C4CC4)sc3c2)c2ncccc12 463529535 WQVWXXUAZLPQDQ-UHFFFAOYSA-N 426.479 4.431 5 20 IIBD CCCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 463659617 HWAWZTWXYYQBBE-UHFFFAOYSA-N 431.392 4.018 5 20 IIBD COc1cc(C(=O)N[C@H]2c3ccccc3CC23CCOCC3)c([N+](=O)[O-])cc1OC(F)F 464715101 XJHXKXMDSKKIEA-IBGZPJMESA-N 448.422 4.029 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1 465023150 LAROGRHWFAJZLG-UHFFFAOYSA-N 448.410 4.230 5 20 IIBD COc1cc(CCNC(=O)N2C[C@@H](C)C[C@@H]2c2cccc(F)c2)c([N+](=O)[O-])cc1OC 465619201 OXUQHWVVHIHLPZ-KBXCAEBGSA-N 431.464 4.086 5 20 IIBD O=C(Nc1cc(F)c(Br)cc1Cl)c1cc2c(cc1[N+](=O)[O-])OCCO2 466455315 MVLHVFBKBNJZFA-UHFFFAOYSA-N 431.601 4.173 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Br)cc2C(F)(F)F)c(F)c1 467426598 BUFWCTRRMJHBSN-UHFFFAOYSA-N 443.172 4.316 5 20 IIBD C[C@@H](C[S@@](C)=O)N(C)C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 468287075 IFSWXCCVKFVCCC-BIXPNRAVSA-N 426.947 4.238 5 20 IIBD COc1cc(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])ccc1Br 471509303 VQTQVSUOHCGJJU-UHFFFAOYSA-N 447.188 4.228 5 20 IIBD COc1ccc(C)nc1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 471721635 WPZVWZNJDLVLFV-UHFFFAOYSA-N 443.463 4.341 5 20 IIBD CCN(CC)C(=O)COc1ccc(NC(=O)NCc2cccc([N+](=O)[O-])c2C)cc1Cl 480055935 CTKJAEWLIOOOGZ-UHFFFAOYSA-N 448.907 4.126 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccc(OCC(F)(F)F)nc3)cc2)c(C)c1[N+](=O)[O-] 482625300 WBBSENXAGRHLJU-UHFFFAOYSA-N 449.389 4.045 5 20 IIBD CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 486750849 WQBGJVUMXIDRFU-UHFFFAOYSA-N 437.452 4.464 5 20 IIBD O=C(Nc1ccc(N2CCOCC2)cn1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 486871421 VFEVCQRSKIBCOH-UHFFFAOYSA-N 436.493 4.230 5 20 IIBD COC1CCN(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 488233213 CSNRFUMNODLXMG-UHFFFAOYSA-N 443.569 4.365 5 20 IIBD O=C(CSc1nnc(-c2ccncc2)n1C1CCCCC1)Nc1ccccc1[N+](=O)[O-] 488899094 NOVMJYWQNXJFGF-UHFFFAOYSA-N 438.513 4.484 5 20 IIBD CC(C)c1ccc(CN(C)S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 488947908 YIDFAWUBJVQFGN-UHFFFAOYSA-N 427.320 4.301 5 20 IIBD CCN(C(=O)c1cc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])ccc1Cl)C(C)C 489611831 OMCXGLJSCVGHKG-UHFFFAOYSA-N 449.891 4.388 5 20 IIBD CCCN(C(=O)c1cc(OCC)c(OC)cc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ccccc1C 489986855 QEOOILPCDVKZLS-MRXNPFEDSA-N 443.500 4.190 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 490991355 UCCRKPOEWXTYHP-OAHLLOKOSA-N 437.525 4.136 5 20 IIBD O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)c1ccc([N+](=O)[O-])cc1Cl 491255408 NOOQGXHEWLFJGJ-GFCCVEGCSA-N 438.709 4.267 5 20 IIBD Cc1cc(I)ccc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 497403783 LZAHHJSLTHMLSK-UHFFFAOYSA-N 435.221 4.101 5 20 IIBD O=c1c2ccc([N+](=O)[O-])cc2ncn1Cc1nc2cc(Cl)ccc2n1Cc1ccccc1 498028314 MCWXNUVKZNEKFK-UHFFFAOYSA-N 445.866 4.404 5 20 IIBD Cc1c(NC(=O)[C@@H](C)N2CCO[C@@H](c3cccc(Br)c3)C2)cccc1[N+](=O)[O-] 500607016 KRXHMLSKZCKOSR-AUUYWEPGSA-N 448.317 4.066 5 20 IIBD COc1cc(C(=O)N2CCCC[C@H]2CCO)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 501780682 PBBHJJOEPYDORQ-INIZCTEOSA-N 434.876 4.426 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 502113553 BREBBTRKZPJLAP-CQSZACIVSA-N 435.415 4.081 5 20 IIBD Cc1cnc(O)n1-c1ccc([C@H](C)NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 502367545 PNWBWSRYGQQSKP-LBPRGKRZSA-N 447.398 4.279 5 20 IIBD COc1ccc([C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c2ccccc2OC)cc1 502408570 VKAXNVYEHDXHHH-VWLOTQADSA-N 445.475 4.473 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCCCC[C@H]1c1noc(-c2cnn(C)c2)n1 503976458 HDELBTJWZXWZEE-KRWDZBQOSA-N 439.476 4.144 5 20 IIBD CCOc1cc2c(cc1CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)O[C@H](C)C2 509389177 QVMVZEIBNTVJLG-MRXNPFEDSA-N 427.501 4.437 5 20 IIBD COC(=O)c1cc(C(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)cc([N+](=O)[O-])c1 509648345 DASODOBGKSGNDJ-UHFFFAOYSA-N 431.514 4.155 5 20 IIBD O=C(N[C@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CCN(c2ccccc2[N+](=O)[O-])CC1 509830378 HUDQVHBBXONGQG-RDJZCZTQSA-N 434.418 4.001 5 20 IIBD COC(=O)c1ccc(Cl)c(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1 509885912 ZUXHKUHIKRCNJA-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD Cc1nc(-c2ccc(NC(=O)c3ccc(N4C[C@@H](C)C[C@H](C)C4)c([N+](=O)[O-])c3)cc2)n[nH]1 512596177 AYVBSYJZOUSCJP-GJZGRUSLSA-N 434.500 4.423 5 20 IIBD Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 512750866 YLAWCILPLRLZTJ-JTQLQIEISA-N 431.802 4.412 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl 514650214 JCTJNCICACGZJI-JTQLQIEISA-N 428.297 4.137 5 20 IIBD COc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 518325164 ITEBCPLXTABPSA-UHFFFAOYSA-N 434.452 4.301 5 20 IIBD COC(=O)c1cc(NC(=O)[C@H](C)Sc2ccc(Br)cc2)cc([N+](=O)[O-])c1 522927240 LMSBTNVDUPCKOV-JTQLQIEISA-N 439.287 4.263 5 20 IIBD Cc1noc(C)c1C[C@H](C)NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 523406462 ZIHRVILBUPTDCR-VIFPVBQESA-N 438.271 4.053 5 20 IIBD COc1ccc(CC(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)cc1[N+](=O)[O-] 531425463 QPWAUGGAMCNYAO-UHFFFAOYSA-N 433.675 4.301 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 532499010 ILPXQCXGWWCOGD-LBPRGKRZSA-N 444.435 4.038 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(OCc2noc(C3CC3)n2)cc1 533947527 ZPHQZGODTRXHDB-UHFFFAOYSA-N 433.424 4.097 5 20 IIBD CCN1CC[C@@H](N(C)Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C[C@@H]1C 536660912 HXHWPOKRFUCUNY-PGRDOPGGSA-N 427.545 4.487 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 537639827 NKPWHYOLZCAWMI-HNNXBMFYSA-N 430.892 4.059 5 20 IIBD COc1ccccc1COC1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 537685483 LSOZSSZLWZXWQN-HNNXBMFYSA-N 447.919 4.265 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C 538777023 TXSLFRRTRIGYQY-UHFFFAOYSA-N 433.892 4.249 5 20 IIBD Cc1c(C(=O)Nc2ccc(COc3ccccc3)cc2)nnn1-c1cccc([N+](=O)[O-])c1 539124115 GMINPGMVRSQXFB-UHFFFAOYSA-N 429.436 4.315 5 20 IIBD COc1cc(OC)c(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])cc1Br 540662430 RZLJPNTUCZCLBT-UHFFFAOYSA-N 439.262 4.091 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCc1ccc(Cl)cc1 540914016 KRPOLRGNQUCDHK-UHFFFAOYSA-N 436.917 4.218 5 20 IIBD C[C@H](NC(=O)NCCc1c[nH]c2ccc(Br)cc12)c1cccc([N+](=O)[O-])c1 542274507 KZDJTULDAFBRMT-LBPRGKRZSA-N 431.290 4.442 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(CN2CCSCC2)cc1 542927258 KRKYRWNYGYZSMW-UHFFFAOYSA-N 425.432 4.415 5 20 IIBD COc1ccc([C@H](Nc2ncc([N+](=O)[O-])c(C)c2Br)c2nccn2C)cc1 543435559 JLVALLCZKTWEBT-INIZCTEOSA-N 432.278 4.004 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 544091320 ROQOKOIOLGKYSV-UHFFFAOYSA-N 438.311 4.061 5 20 IIBD Cc1ncc([N+](=O)[O-])cc1-c1nc(Cc2nc(O)c3c(-c4ccccc4)csc3n2)no1 544923375 NJBSGLILEBTDMC-UHFFFAOYSA-N 446.448 4.316 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(-c3nc(-c4ccc(Cn5cncn5)cc4)no3)cs2)c1 546301931 BGXJOSYIIOBUCS-UHFFFAOYSA-N 431.437 4.075 5 20 IIBD Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 546700378 RMXDINBEFFRVLN-UHFFFAOYSA-N 425.876 4.595 5 20 IIBD Cc1ccccc1-c1cnc(CN2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)o1 548160421 JARSLZFBYIQPAH-UHFFFAOYSA-N 432.484 4.147 5 20 IIBD CC[C@@H]1CCCC[C@H]1c1noc([C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)n1 551532012 JPSINQKTPODUHE-JTDSTZFVSA-N 448.545 4.230 5 20 IIBD COc1ccc(Oc2cc(CN[C@H](c3cccc([N+](=O)[O-])c3)c3nccn3C)ccn2)cc1 552255378 CJIXDSLLZMIUHU-HSZRJFAPSA-N 445.479 4.403 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1ccc(Oc2cccnc2)cc1 554770203 QWSQMLDHELJVLX-UHFFFAOYSA-N 434.452 4.158 5 20 IIBD Cc1noc([C@H]2CCCCN2C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1 557766739 BDBDLHBJMSQVNY-AUUYWEPGSA-N 436.472 4.222 5 20 IIBD COc1ccc(CN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@H](C)C2CC2)c(OC)c1 558748930 SWNZWBXPNUXKBW-MRXNPFEDSA-N 427.501 4.160 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCN(C4CCC4)C[C@H](C)C3)cc2[N+](=O)[O-])n1 561533445 XETYOZFEXIPFRF-AWEZNQCLSA-N 446.598 4.457 5 20 IIBD Cc1cc(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)ccc1NC(=O)c1ccco1 565509604 ORGNEJKPZFUSES-UHFFFAOYSA-N 436.424 4.175 5 20 IIBD CN1CCC(N(Cc2ccccc2Br)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 568567623 SFHRMLPJCPVSRY-UHFFFAOYSA-N 447.333 4.486 5 20 IIBD Cn1ccnc1[C@@H](NCc1ccncc1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 579150507 WKOPKICIUWOSPP-QHCPKHFHSA-N 429.480 4.182 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C(F)F)ccc2Cl)cc1OC 579247267 KWCUCVFDTKPEOH-UHFFFAOYSA-N 430.791 4.472 5 20 IIBD O=[N+]([O-])c1cc2c(N3CCc4[nH]c5ccc(Br)cc5c4C3)ncnc2s1 587142104 QLKZQSRNBWRPBZ-UHFFFAOYSA-N 430.287 4.406 5 20 IIBD COc1ccc(-c2ccc(CNc3ccc(F)c(N4C(=O)CCC4=O)c3)o2)c([N+](=O)[O-])c1 589189911 YOGRUSITQOCBLO-UHFFFAOYSA-N 439.399 4.268 5 20 IIBD COc1cc(CNC(=O)COc2ccc([N+](=O)[O-])cc2F)ccc1OCc1ccccc1 603676666 BDGMLPZYLDIGQI-UHFFFAOYSA-N 440.427 4.017 5 20 IIBD Cc1ccc(NC(=O)COc2ccc(CCNC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)cc1 604360122 LBNHMDVYFYVEJR-UHFFFAOYSA-N 448.479 4.285 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 608965165 SHGKFFNZZUAZDO-IBGZPJMESA-N 447.278 4.301 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nnc(C)n1CCc1cccs1 609009465 ZNGSGHPDWUCXEQ-UHFFFAOYSA-N 431.543 4.228 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCc2cccc(-n3ccnc3)c2)cc1[N+](=O)[O-])c1ccccn1 609656895 JSYQMTZXHLUTDK-QGZVFWFLSA-N 442.479 4.279 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1 609658157 ROJDSDOLVCWKRX-MUUNZHRXSA-N 430.507 4.012 5 20 IIBD Cc1cccn2cc(CC(=O)Nc3cc(-c4ccco4)nn3-c3cccc([N+](=O)[O-])c3)nc12 609816783 HUDZJOPVCCSKKQ-UHFFFAOYSA-N 442.435 4.178 5 20 IIBD CO[C@H](c1ccc(Cl)cc1)[C@@H](C)Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] 609894578 ICNYGBDCQVVJEQ-XCLFUZPHSA-N 428.876 4.401 5 20 IIBD CC(C)S(=O)(=O)Cc1cccc(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1 610098859 FIIKOMYYVNWNOZ-UHFFFAOYSA-N 433.530 4.062 5 20 IIBD CO[C@H](CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1Cl 610788610 ZQDOCWOWCNMWNX-HXUWFJFHSA-N 433.892 4.189 5 20 IIBD COC(=O)COc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)c1 611206214 PIYRTRUWDNFGTQ-UHFFFAOYSA-N 444.509 4.111 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(Cc1ccc(F)cc1F)C1CCCC1 619479843 XXLMUTDMLAKGAP-UHFFFAOYSA-N 426.441 4.015 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)N1c2ccccc2CC[C@H]1C 725985440 JMLKGRDGVZUMNG-CHWSQXEVSA-N 447.285 4.271 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3ccsc3)nc2C)c([N+](=O)[O-])c1 726232939 YIIBUZFWMNKKEB-CYBMUJFWSA-N 441.465 4.219 5 20 IIBD C[C@H](OC(=O)c1cc(F)c(Cl)nc1Cl)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 727521780 RBUASEFUHUKSBH-ZETCQYMHSA-N 427.175 4.404 5 20 IIBD COc1ccc(CC(=O)OCc2csc(COc3ccc(F)cc3)n2)cc1[N+](=O)[O-] 727883828 RBUSQYVMEZCFKN-UHFFFAOYSA-N 432.429 4.064 5 20 IIBD Cc1sc2ncnc(N3CCC(C(=O)OCc4c(F)cccc4[N+](=O)[O-])CC3)c2c1C 728989221 UJGKXGVCPLKRJW-UHFFFAOYSA-N 444.488 4.315 5 20 IIBD CS(=O)(=O)c1cc(C(=O)O[C@H](c2cccc(Cl)c2)C(F)(F)F)cc([N+](=O)[O-])c1 730418692 SHCHYZIAHDFPLO-CQSZACIVSA-N 437.779 4.112 5 20 IIBD C[C@@H](OC(=O)c1ccccc1OCc1cccs1)C(=O)Nc1ccc([N+](=O)[O-])cc1 730616992 BIYMERWNYNFJEV-CQSZACIVSA-N 426.450 4.419 5 20 IIBD O=C(OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1cccc(OC2CCCC2)c1 731291360 BJIMLFQNNVFWQU-GOSISDBHSA-N 438.480 4.378 5 20 IIBD CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1 732781314 YNZONKQBJKNRPA-UHFFFAOYSA-N 445.541 4.161 5 20 IIBD C[C@H](CC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)c1ccccc1 732861533 XYWVGQLISLATJR-GFCCVEGCSA-N 438.358 4.004 5 20 IIBD C[C@@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1ccc(OC(F)F)cc1 734725082 CSJVRMXTMJJHDF-RISCZKNCSA-N 440.424 4.167 5 20 IIBD Cc1ccc(OC(F)F)c([C@H](C)OC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 734737409 LFTUDQXMBDTKCL-NSHDSACASA-N 440.424 4.000 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 735646181 TUSOLHSDUQUCDB-INIZCTEOSA-N 446.887 4.170 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)N(Cn1nc(-c3ccncc3)n(Cc3ccco3)c1=S)CCC2 738043131 AHEJTXQBOLBSQY-UHFFFAOYSA-N 448.508 4.436 5 20 IIBD C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 741438996 DRCVFJBJKOEPTO-NSHDSACASA-N 426.853 4.191 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1cccnc1S[C@H](C)C(=O)N1CCCC1 741935073 UEXBXQNZGFVPEE-CYBMUJFWSA-N 448.932 4.307 5 20 IIBD CN(C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Br)nc1 742814049 NVVFKHFXGNAMBA-UHFFFAOYSA-N 447.211 4.236 5 20 IIBD CS(=O)(=O)c1cccc([C@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 743019749 IOLYWAHMWMZSLK-HXUWFJFHSA-N 441.534 4.074 5 20 IIBD Cc1ccc(-c2ocnc2C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 745357639 UTZHVNLEBFBQEB-LBPRGKRZSA-N 429.816 4.396 5 20 IIBD C[C@H](OC(=O)CN(C)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1-c1ccccc1 745614393 ABLFFOCHZOLHMC-KRWDZBQOSA-N 433.464 4.268 5 20 IIBD C[C@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(-c2ccncc2)cc1 746427100 RBYIXJDGISNZDN-SFHVURJKSA-N 431.496 4.250 5 20 IIBD COc1cc(C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)ccc1OCc1cscn1 751644996 OCUZBYUNTZOKSF-UHFFFAOYSA-N 441.421 4.137 5 20 IIBD CO[C@H]1C[C@@H](NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1(C)C 753314179 QLGNXAHUVXLRLF-MSOLQXFVSA-N 431.876 4.044 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@@H](OC(C)(C)C)c1ccccc1 754313135 PPZHBHKXQYSVTN-LIRRHRJNSA-N 430.457 4.030 5 20 IIBD CCOc1cccc(-c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)n2)c1 754628325 GWUKACHEKVQPML-UHFFFAOYSA-N 448.479 4.144 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)OC[C@H]3CC(=O)N(C4CC4)C3)cc2[N+](=O)[O-])cc1 754761436 BAIGVLDJIPMJTH-HNNXBMFYSA-N 426.494 4.222 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)O[C@H](C)C(=O)c1cc(C)n(Cc2ccco2)c1C 755676220 BCNNXBSZSMMHEB-OAHLLOKOSA-N 426.425 4.091 5 20 IIBD Cc1noc(C)c1CCOC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 756156933 NSEDPDSQGFINFY-UHFFFAOYSA-N 441.406 4.221 5 20 IIBD CCOc1cc(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)ccc1OC(F)F 756923623 HTFRCUYYGDMMLR-UHFFFAOYSA-N 429.807 4.248 5 20 IIBD CCc1cc[n+](/C(C(=S)NC[C@@H]2CCCCO2)=C(/O)c2ccc(C)c([N+](=O)[O-])c2)cc1 759062772 HPYWZDZASHMQFL-IBGZPJMESA-O 442.561 4.123 5 20 IIBD C[C@@H](OC(=O)c1cccc(Br)c1F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 759142106 SLYZEBCIXPOMSG-MRVPVSSYSA-N 445.628 4.334 5 20 IIBD COc1ccc2c(c1)CN(Cn1cc(Br)c([N+](=O)[O-])n1)[C@H](c1ccccc1)C2 759150582 ZHOSQVWIEVQHQR-IBGZPJMESA-N 443.301 4.320 5 20 IIBD CC(=O)N1C=Cc2ccccc2[C@@H]1Cc1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 762307059 DEMKIFKZAUJMJU-NRFANRHFSA-N 429.436 4.167 5 20 IIBD CCc1cc(=NC(=O)c2ccc([N+](=O)[O-])cc2Br)c2cc([N+](=O)[O-])ccc2[nH]1 765100843 UBWBKDGKJSINNF-UHFFFAOYSA-N 445.229 4.050 5 20 IIBD O=C(O)CSCc1cccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c1 767155636 SAJUSTPRKBMWDW-UHFFFAOYSA-N 443.250 4.067 5 20 IIBD Cc1ccc(Cc2nc(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)cs2)cc1 768655647 CNIWZWNTEGSDQS-UHFFFAOYSA-N 425.466 4.054 5 20 IIBD CN(Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H](c1cccc(F)c1)c1cnn(C)c1 769231730 CZFZKJGXVBDVKH-IBGZPJMESA-N 433.281 4.451 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)c1cnc(-c2ccc(OC)c(OC)c2)s1 769431515 IESCMRHPPAUDNO-UHFFFAOYSA-N 430.438 4.101 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1cc(Br)cc([N+](=O)[O-])c1 770330421 KHWFEYOWQBZERG-UHFFFAOYSA-N 445.023 4.280 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCC[C@@H](C[C@@H]3CCOC3)C2)c1=S 773258657 HXJSIZLDNWETPM-IRXDYDNUSA-N 431.562 4.105 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)cc2)nc1 776320489 HWIKHGBEMCRVJO-UHFFFAOYSA-N 434.452 4.179 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1coc(-c2ccccc2Cl)n1 776443859 SSRHVYUJYSWLFF-LLVKDONJSA-N 445.815 4.096 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1coc(-c2ccccc2Cl)n1 776443861 SSRHVYUJYSWLFF-NSHDSACASA-N 445.815 4.096 5 20 IIBD CSc1cccc(C(=O)N[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)OCc2ccccc2)c1[N+](=O)[O-] 776874872 OZZZTQZQARAJPV-FVCZOJIISA-N 440.521 4.205 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(Oc3cncc(Cl)n3)CC2)nc1OCc1ccccc1 777792819 LUKLAORCRXLNKF-UHFFFAOYSA-N 441.875 4.060 5 20 IIBD COc1cc2ccncc2cc1OC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 778385123 ZBOBZXCHFOFGKJ-UHFFFAOYSA-N 432.436 4.232 5 20 IIBD COc1cc(CNc2ccc(C)c(N3CCOC3=O)c2)c([N+](=O)[O-])cc1OCC(F)F 779037475 IDLCOKKEFGGHNG-UHFFFAOYSA-N 437.399 4.124 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)[C@@H](c2ccccc2)N(C)C)c2ccccc2)c([N+](=O)[O-])c1 780092364 NAAIOPVKOWRNQS-DHIUTWEWSA-N 447.491 4.429 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 781368502 BIAULPQSRSVVHY-QGZVFWFLSA-N 435.524 4.201 5 20 IIBD CC1=C(C(=O)N(C)C)[C@H](c2ccc([N+](=O)[O-])s2)NC(=S)N1c1cc(C)ccc1C 782243689 BPCSWFFXWYCQJM-SFHVURJKSA-N 430.555 4.071 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)ccc1N1CCOCC1 783558323 BHOOPSHOZLAASI-UHFFFAOYSA-N 438.528 4.228 5 20 IIBD O=C1OCCCN1c1ccccc1-c1noc(CCOc2ccc(Cl)cc2[N+](=O)[O-])n1 784246483 MTDKFYJSQSLFPA-UHFFFAOYSA-N 444.831 4.266 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccccc1C(=O)NCc1ccco1 788503901 JWFUQRAGXHAFNB-CYBMUJFWSA-N 443.456 4.376 5 20 IIBD C[C@@H](OC(=O)c1ccnc(Oc2ccc(F)cc2F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 789051376 DFAPXRRQIVDRQD-GFCCVEGCSA-N 443.362 4.244 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 791233741 XAYAPFYPTUMPCP-UHFFFAOYSA-N 444.793 4.271 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OC[C@@H]2CC3(CCC3)C(=O)O2)cc1 791323286 XFFDPKGEFNLRSB-KRWDZBQOSA-N 427.409 4.038 5 20 IIBD CC(C)(C(=O)COC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccccc1 795446348 JGUWOPBDXSGGGC-UHFFFAOYSA-N 425.359 4.240 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 796484406 AHLCDVXQKZHSAZ-GASCZTMLSA-N 435.546 4.036 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1cc(S(=O)(=O)C2CCCC2)ccc1F 797445229 QUVRGMVGWIQXJA-UHFFFAOYSA-N 426.853 4.356 5 20 IIBD O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 798289628 AIRBNVRUCPVCFO-UHFFFAOYSA-N 444.904 4.370 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N(C)C2CCCCCC2)cc1 800696635 LBHSOPIBVJBNAR-UHFFFAOYSA-N 446.525 4.466 5 20 IIBD O=C1CCc2cc(Cl)c(S(=O)(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)cc21 800930176 YMCBCIHFGLPXNV-UHFFFAOYSA-N 434.779 4.197 5 20 IIBD O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)[C@@H](F)c1ccc(C(F)(F)F)cc1 802064782 AMDVZRVWGDXAOV-KRWDZBQOSA-N 441.381 4.479 5 20 IIBD CC(=O)c1oc2cc(C)ccc2c1CC(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 805663573 ATDFCKKBBYFBLM-UHFFFAOYSA-N 444.827 4.230 5 20 IIBD COc1cc(N2CCC(OC(=O)CCc3ncc(C(C)(C)C)o3)CC2)ccc1[N+](=O)[O-] 805884919 AZPIGDDCTIZUEA-UHFFFAOYSA-N 431.489 4.034 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Oc2cccnc2)cc1 807542490 VYIJDZMHLQONAE-CYBMUJFWSA-N 440.843 4.251 5 20 IIBD COc1cccc(OC)c1OCc1noc(-c2cc([N+](=O)[O-])ccc2N2CCCCC2)n1 809436326 BUUVVEFQRNLQJW-UHFFFAOYSA-N 440.456 4.231 5 20 IIBD C[C@@H](OC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1)c1cccc([N+](=O)[O-])c1 809672699 VZTMCTDPTAYQQZ-CQSZACIVSA-N 446.506 4.053 5 20 IIBD CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2c2nc(Cc3ccccc3[N+](=O)[O-])no2)CC1 810276061 AWLSEHFGMALMQG-DLBZAZTESA-N 428.489 4.319 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)CC2)C1 812350349 MRCQWPJROYREMQ-MRXNPFEDSA-N 442.516 4.185 5 20 IIBD CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc([N+](=O)[O-])o2)NC(=O)N1Cc1ccccc1 812504339 TVXQUACDLKZAQS-QFIPXVFZSA-N 447.447 4.472 5 20 IIBD Cc1ccc([C@](O)(Cc2noc(C(C)(C)c3ccccc3[N+](=O)[O-])n2)C(F)(F)F)o1 813892637 YXGNRCXAJHTHSY-GOSISDBHSA-N 425.363 4.198 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CC2(CCC2)[C@@H]1c1ccccc1 814399799 ZQMOFIAHZAYUQL-KRWDZBQOSA-N 437.315 4.273 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)C1 814431631 NDVMOENBDGGTER-CVEARBPZSA-N 435.496 4.233 5 20 IIBD O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CC[C@@H](CSc2ccccc2)C1 815019534 PFRUQBAVDXODTL-GFCCVEGCSA-N 430.910 4.190 5 20 IIBD O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)c1cccc([N+](=O)[O-])c1Cl 816911138 CHGIGAXRUJITJA-UHFFFAOYSA-N 433.855 4.426 5 20 IIBD O=C(CCc1ccc(-c2ccccc2F)o1)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 857827559 APSLLTXZACKNPB-UHFFFAOYSA-N 438.411 4.059 5 20 IIBD CCN(Cc1cccc(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)c1)C(=O)C(F)(F)F 915043583 SYQLIMOXFBGZTE-UHFFFAOYSA-N 441.431 4.480 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N(CC(C)C)C(C)C)cc1 915155608 ZCZCBYYDPROQQE-UHFFFAOYSA-N 434.514 4.178 5 20 IIBD CCOc1ccc([C@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c2ccccc2)cc1 915282082 ALFRRKXYJQRAIV-XMMPIXPASA-N 430.464 4.249 5 20 IIBD COc1cc2c(cc1NC(=O)N1CCN(c3ccc([N+](=O)[O-])nc3)CC1)oc1ccccc12 915307159 VZOYHWZZAGTOJA-UHFFFAOYSA-N 447.451 4.252 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CCC[C@H]1c1cccc(F)c1 917927099 HIRNQETXGUQTOS-AWEZNQCLSA-N 429.267 4.022 5 20 IIBD C[C@@H](Nc1ccc(C(=O)OCc2nc3ccccc3n2C)cc1[N+](=O)[O-])c1ccccn1 920120090 HTEACKGYDBVHTH-OAHLLOKOSA-N 431.452 4.407 5 20 IIBD Cc1c(NC(=O)[C@H](C)Sc2ccc(S(=O)(=O)C(F)(F)F)cc2)cccc1[N+](=O)[O-] 1116191308 IAZWMLXECPLDRY-NSHDSACASA-N 448.444 4.316 5 20 IIBD CCn1cc([C@H]2C[S@](=O)CCN2Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cn1 1255764817 MZCRMMXJYKBBGS-HZAQMHFWSA-N 448.932 4.030 5 20 IIBD O=C(COC(=O)c1csc(Cc2ccc(Cl)cc2)n1)Nc1cc([N+](=O)[O-])ccc1F 1317835534 MXRXKGZBXJXDHP-UHFFFAOYSA-N 449.847 4.230 5 20 IIBD Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 1318730440 KDUOBAHGZQDXID-UHFFFAOYSA-N 428.901 4.377 5 20 IIBD CC(=O)Nc1cccc(-n2cnnc2SCc2ccc([N+](=O)[O-])cc2Br)c1 1320404276 UQWWLSNUSOPRFV-UHFFFAOYSA-N 448.302 4.189 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC(Cc2c(F)cccc2Cl)C1 1323177589 NIANEQSWJKHTIJ-UHFFFAOYSA-N 438.908 4.441 5 20 IIBD COc1ccc(NC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)c([N+](=O)[O-])c1 1517707573 BQFYYUGSQXBZRG-ZDUSSCGKSA-N 449.305 4.014 5 20 IIBD Cc1nc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4F)cc3)CCC2)co1 1790622977 ZOMUMXNFDSKNMJ-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])NC1(c2ccc(NC(=O)[C@@H]3CCCOC3)cc2)CCC1 1792300145 YCUPTMNNXYQGJH-BNOPAZPUSA-N 449.507 4.169 5 20 IIBD Cc1ccsc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 1825780883 FYWXQUQBORMCBD-MRXNPFEDSA-N 431.514 4.105 5 20 IIBD COc1ccc(C)cc1CCNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 9919924 SHJMCHUGRZNUJE-UHFFFAOYSA-N 425.407 4.092 5 20 IIBD COc1cc(CCNC(=O)c2ccc(C3SCCCS3)cc2)c([N+](=O)[O-])cc1OC 11081714 RCEMZESZXJOPGB-UHFFFAOYSA-N 448.566 4.453 5 20 IIBD C[C@@H](OC(=O)COc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Oc2ccccc2)cc1 11083495 JYOZKVWAOVZDPA-MRXNPFEDSA-N 436.420 4.336 5 20 IIBD CCOc1ccc(C(=O)O[C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)cc1[N+](=O)[O-] 11183672 VKMAUQDSAQOPOC-AWEZNQCLSA-N 447.513 4.361 5 20 IIBD Cc1ccc(Nc2nnc(SC[C@@H](O)COc3cccc([N+](=O)[O-])c3)s2)cc1C 15232623 VHCLEONWGPHRNF-INIZCTEOSA-N 432.527 4.339 5 20 IIBD C[C@@H](OC(=O)c1c[nH]c2ccc(Br)cc12)C(=O)Nc1ccc([N+](=O)[O-])cc1 16327621 JJZKBQOOMJENPU-SNVBAGLBSA-N 432.230 4.023 5 20 IIBD COC(=O)c1c(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)sc(C)c1C 20004026 AUAWSEBSGVSDQK-UHFFFAOYSA-N 442.497 4.174 5 20 IIBD CCOC(=O)c1c(CC(C)C)csc1NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 25876103 DXDNADLUEFPWOE-UHFFFAOYSA-N 436.486 4.301 5 20 IIBD Cc1ccc(NC(=O)Cc2nc(COC(=O)c3c(C)cccc3[N+](=O)[O-])cs2)cc1 26117904 XFLGSLFGZBNZAZ-UHFFFAOYSA-N 425.466 4.206 5 20 IIBD O=C(CCSc1nnc(NCCc2cccs2)s1)Nc1ccccc1[N+](=O)[O-] 26419574 ZIKCVVWGQODNME-UHFFFAOYSA-N 435.556 4.283 5 20 IIBD COc1ccccc1[C@H](C)NC(=O)[C@H](C)Sc1nc2cc3ccccc3cc2c(=O)n1C 26580927 LBZMGZQAYKYRMC-HOTGVXAUSA-N 447.560 4.453 5 20 IIBD O=C(CN1CCc2sccc2[C@@H]1c1cccs1)N1CCc2ccc([N+](=O)[O-])cc21 27478372 ZQKJVGHOLBLMSM-OAQYLSRUSA-N 425.535 4.255 5 20 IIBD CN(CC1CCCCC1)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 29289207 OXMBFJNHBIJUMH-UHFFFAOYSA-N 431.514 4.048 5 20 IIBD CCOc1ccccc1-c1nnc(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)o1 31844957 WSYJIAFLNROBEO-UHFFFAOYSA-N 425.426 4.386 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2cc3c(cc2s1)OCCCO3 60612376 HDCGNWRLCXDNCQ-NSHDSACASA-N 431.495 4.485 5 20 IIBD O=C1C[C@H](Nc2cccc(COc3cccc(F)c3)c2)C(=O)N1c1cccc([N+](=O)[O-])c1 61021223 BFIQNVUJLRPFPC-NRFANRHFSA-N 435.411 4.057 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(-n3cnc4ccccc43)cc2)cc1OC 61284387 UPENWELXNNOFEG-UHFFFAOYSA-N 446.463 4.271 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCc3c(C)noc3C)c([N+](=O)[O-])c2)c(C)c1 63255131 JCXOLEYUAPWOMD-UHFFFAOYSA-N 430.486 4.229 5 20 IIBD CC(C)C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)OCc1ccccc1 97571762 GAODEXXFQSCERW-FQEVSTJZSA-N 439.512 4.083 5 20 IIBD O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 107703599 JXCSCVJBMAFWHJ-KRWDZBQOSA-N 441.406 4.086 5 20 IIBD Cc1c(NC(=O)CCN(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)cccc1[N+](=O)[O-] 195674255 FMCYHEQUYZAMLO-ICSRJNTNSA-N 438.311 4.129 5 20 IIBD CCn1c(Sc2nc3sccn3c2[N+](=O)[O-])nc2sc3c(c2c1=O)CCCC3 301060454 FXLAQKKMBVIGNH-UHFFFAOYSA-N 433.540 4.125 5 20 IIBD Cc1ccc(Cl)cc1N1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 301442916 YKZSLRCHSOTRDE-HNNXBMFYSA-N 430.892 4.452 5 20 IIBD CC(C)(COc1ncc(Cl)cc1Cl)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] 302100725 UWFNWAPGXLLEJN-UHFFFAOYSA-N 440.330 4.031 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H]3CCO[C@H](C4CC4)C3)c([N+](=O)[O-])c2)c(C)c1 302191761 ZIIZSRBPFUIEJG-VGSWGCGISA-N 445.541 4.382 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(NC[C@@H]2CCCO[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 303038725 SIJVUUCCKXOZIY-PGRDOPGGSA-N 447.557 4.205 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3c(s2)C[C@@H](c2ccccc2)CC3)c(F)c1 409577646 UHXOGXVWNJNGMV-ZDUSSCGKSA-N 433.486 4.264 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](OCCCc2ccccc2)C1 430957808 UTSSBCCUFMLMRA-LPHOPBHVSA-N 431.920 4.299 5 20 IIBD C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)COc1c(Br)cccc1[N+](=O)[O-] 431220483 JUPUYKFWFHVJQR-JTQLQIEISA-N 429.217 4.234 5 20 IIBD O=[N+]([O-])c1ccc(N2CCO[C@H](c3ccccc3)C2)nc1N1CCO[C@@H](c2ccccc2)C1 433608396 KBEABHPKDKMDND-XZOQPEGZSA-N 446.507 4.146 5 20 IIBD Cc1cc(NC(=O)CCc2cccc([N+](=O)[O-])c2)n([C@H]2CCN(Cc3ccccc3)C2)n1 435286241 CGQPADCFMDPKAG-QFIPXVFZSA-N 433.512 4.118 5 20 IIBD COc1ccccc1N1CC[C@H](CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 436286788 BWUQEOAVRXPHGV-MRXNPFEDSA-N 445.494 4.085 5 20 IIBD CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)Nc1cc([N+](=O)[O-])ccc1C 436492272 YXAYBOYYKCGMBE-LJQANCHMSA-N 437.500 4.148 5 20 IIBD Cn1c(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc2cc(F)ccc21 437153220 INTAONODAJPTSR-UHFFFAOYSA-N 425.342 4.080 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 437360842 YFPNVHQHLKFRQK-BLLLJJGKSA-N 427.657 4.365 5 20 IIBD CCOC(=O)CCc1ccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 438302834 VSGNQJFIYLHGGI-UHFFFAOYSA-N 441.484 4.166 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1 438682909 RQIMZNDIAHDWEI-QZTJIDSGSA-N 442.537 4.391 5 20 IIBD CC[C@H](c1ccncc1)N(CC)S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 439227107 WEISZFCXFSCYIM-MRXNPFEDSA-N 442.335 4.223 5 20 IIBD CO[C@H](C)c1nc(CN2CCCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)cs1 439620092 RLNPJUBAUORLKE-CYBMUJFWSA-N 442.488 4.072 5 20 IIBD CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 440529395 GWJHLYGHHKCHEM-IBGZPJMESA-N 445.947 4.388 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC(OCC3CC3)CC2)cc1 440610215 GOXHZZDINBXEBH-UHFFFAOYSA-N 426.469 4.427 5 20 IIBD Cc1c(C(=O)N(C)c2nc3ccc(Cl)cc3s2)nnn1-c1cccc([N+](=O)[O-])c1 443859005 MIFWMRPLVYFUHZ-UHFFFAOYSA-N 428.861 4.024 5 20 IIBD O=C(Cc1noc(-c2n[nH]c3ccc([N+](=O)[O-])cc23)n1)Nc1c(Cl)cccc1Cl 445381577 YWNLDRSYYAQIOC-UHFFFAOYSA-N 433.211 4.009 5 20 IIBD CCOc1ccccc1C(F)(F)c1nc(Cc2cc(OC)cc(OC)c2[N+](=O)[O-])no1 445814779 CGUCTQPZGNSQSG-UHFFFAOYSA-N 435.383 4.125 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccc(OC[C@H]2CCCO2)cc1 445816329 VOCNVTBWALZMEK-QGZVFWFLSA-N 435.274 4.096 5 20 IIBD CCOC(=O)[C@H]1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc21 446248134 MXZQHRFSYSUZOT-CJNGLKHVSA-N 432.860 4.099 5 20 IIBD Cc1ccc(-c2nnc(N(Cc3ccccc3[N+](=O)[O-])C3CC3)n2C[C@H]2CCOC2)s1 461521355 ICLSQSQSGNTTJM-MRXNPFEDSA-N 439.541 4.429 5 20 IIBD CCN(C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1)CC(F)(F)F 462493302 XEEOFUPMPSWBKR-KRWDZBQOSA-N 438.450 4.279 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Nc2cc(Br)c(C)cc2OC)c([N+](=O)[O-])c1 462529038 PGXSQAQQHHPRST-NSHDSACASA-N 438.278 4.122 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C[S@@](=O)C2CCOCC2)c1 462640486 QJYGVCMBBIOULG-QPHCHLROSA-N 444.553 4.230 5 20 IIBD C[C@@H](c1ccsc1)N1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 463045039 UFGNWOJFISSOLB-AWEZNQCLSA-N 428.539 4.299 5 20 IIBD COc1cc(CN2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OCC(F)F 463198640 ARNDZLOUMGLLBU-NUJGCVRESA-N 428.476 4.153 5 20 IIBD CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] 463679202 MZYLJYKFNBCNML-UHFFFAOYSA-N 443.891 4.173 5 20 IIBD CCCN(C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)C1 464563663 NPORQTUMWCGDMS-QGZVFWFLSA-N 427.501 4.200 5 20 IIBD CN(C(=O)c1ccc([N+](=O)[O-])cc1I)c1cccc2cccnc12 466372903 SXUSCJUIJADBIC-UHFFFAOYSA-N 433.205 4.024 5 20 IIBD CCNC(=O)C(C)(C)CNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 466426111 OUEYPOSZCVRKMO-UHFFFAOYSA-N 435.933 4.292 5 20 IIBD Cc1ccc(CN(Cc2cccs2)C(=O)Cn2ccc([N+](=O)[O-])n2)c(Br)c1 466739784 QZMXSBBHBBBIFV-UHFFFAOYSA-N 449.330 4.153 5 20 IIBD C[C@@H]1OCC[C@@]12CN(C(=O)c1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)C[C@@H](C)O2 468522347 HPHZBERWSTWPEB-ZCCHDVMBSA-N 446.887 4.449 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H](c2c(F)cccc2F)C1 468958927 LICBQLWWELWHTR-GFCCVEGCSA-N 425.229 4.194 5 20 IIBD O=C(NCC(=O)N1CCCC[C@@H]1c1ccccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 473924422 UHQFDUDAMINASV-GOSISDBHSA-N 435.402 4.097 5 20 IIBD O=C(N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccccc1[N+](=O)[O-] 475891636 ILOIQRJLIOLGOB-SFHVURJKSA-N 426.270 4.466 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccc3c(=O)cc[nH]c3c2)cc1[N+](=O)[O-])c1ccccn1 477216664 OMGNSRCQSYCXTL-AWEZNQCLSA-N 429.436 4.257 5 20 IIBD COC(=O)c1cnc(Sc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)c([N+](=O)[O-])c1 478287849 WIELUGIIHMUAQS-UHFFFAOYSA-N 427.486 4.021 5 20 IIBD C[C@@H](CN1CCCCCC1)NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 479815964 RDNIMURAHSJZKN-ROUUACIJSA-N 425.533 4.157 5 20 IIBD CCC(=O)c1ccc(NCc2ccc(Br)cc2N2CCOCC2)c([N+](=O)[O-])c1 480091017 HSGKUOYBOTUGOL-UHFFFAOYSA-N 448.317 4.399 5 20 IIBD CCn1c(SCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])nnc1-c1cccnc1 481335163 DWURDEDRWWKLGP-UHFFFAOYSA-N 437.428 4.171 5 20 IIBD COc1ccc(CNC(=O)N[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)cc1[N+](=O)[O-] 482390313 RMLYMNYHTAGAPW-OAHLLOKOSA-N 449.332 4.308 5 20 IIBD C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 485328692 BYLBBDSYWCAQRU-JTQLQIEISA-N 440.681 4.169 5 20 IIBD C[C@H]1C[C@H](CCNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CN1Cc1ccccc1 485512836 AQADSAWYUWJJSJ-RDJZCZTQSA-N 433.455 4.227 5 20 IIBD Cn1ccnc1-c1csc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])n1 486277051 BAMOTGSUXXOPLW-UHFFFAOYSA-N 435.465 4.283 5 20 IIBD O=C(N[C@H]1CCN(Cc2ccccc2)C1=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 486391696 AZJRWAKAAOKXFJ-NRFANRHFSA-N 447.516 4.277 5 20 IIBD CCOc1ccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2C)c([N+](=O)[O-])c1 488909982 NAUPUTUFHJQFNU-UHFFFAOYSA-N 447.904 4.173 5 20 IIBD CCn1c(SCC(=O)N[C@@H](c2ccccc2)C2CC2)nnc1-c1ccc([N+](=O)[O-])cc1 489392023 RRPMGAXDVGDQDA-FQEVSTJZSA-N 437.525 4.233 5 20 IIBD Cc1cc(C)c(S(=O)(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)cc1[N+](=O)[O-] 493411604 MCOBIETWPDADQG-KRWDZBQOSA-N 441.509 4.225 5 20 IIBD CCOc1ccc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1CO 494801295 QTAPQUXEGDFFPM-HNNXBMFYSA-N 436.468 4.306 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn23)C1 495127005 HNWJZVUGJMXHIO-CYBMUJFWSA-N 448.405 4.376 5 20 IIBD CN1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)[C@H]1c1ccc(Cl)c(F)c1 498391820 XMIMJPSVFCMGTL-LHSJRXKWSA-N 442.878 4.358 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 498844287 FYRSXHSWTRERBY-INIZCTEOSA-N 446.328 4.429 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@H](c2cccc(Br)c2)C1 500282115 ZYQFMJXRVWFUGZ-INIZCTEOSA-N 425.666 4.224 5 20 IIBD COc1ccc([C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])c2ccccc2OC)cc1 502379771 XXCPHQWTKYUCFZ-DEOSSOPVSA-N 436.464 4.287 5 20 IIBD COC(=O)CNC(=O)c1ccc(N[C@@H](C)c2ccc(SC(C)C)cc2)c([N+](=O)[O-])c1 505590378 MIUIXOVRHAVOHX-AWEZNQCLSA-N 431.514 4.171 5 20 IIBD O=C(NC1(Cc2cccc(F)c2)CCOCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 508649832 BYLFIYRVYUAJMI-UHFFFAOYSA-N 441.484 4.379 5 20 IIBD Cc1ccccc1CN(C(=O)c1ccc([N+](=O)[O-])cc1I)C1CC1 509011348 BIJIBRYBKJFHSM-UHFFFAOYSA-N 436.249 4.313 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCN(c3ccccc3O)CC2)cc1 509093828 JNCWYICOHKACKM-UHFFFAOYSA-N 449.463 4.064 5 20 IIBD COc1ccc(CN2CCC(c3nc(C)no3)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 509374096 QIQLUPCMPAMYDG-UHFFFAOYSA-N 438.484 4.253 5 20 IIBD CC(=O)NCCN(Cc1ccc(C)s1)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 509496076 QUIIHXAUFHDLSN-UHFFFAOYSA-N 440.525 4.081 5 20 IIBD C[C@@H]1C[C@@H](c2ccccc2)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 511031636 RGKFIZKGHZXZSO-WBMJQRKESA-N 425.304 4.129 5 20 IIBD COc1cc(C(=O)N(CC(C)C)CC(F)(F)F)c([N+](=O)[O-])cc1OCc1cscn1 512355297 UXSCMTJCEKMRHF-UHFFFAOYSA-N 447.435 4.299 5 20 IIBD C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)COc1cccc([N+](=O)[O-])c1)OCCO3 514901709 KRSXTMKVEVSANR-INIZCTEOSA-N 438.480 4.160 5 20 IIBD COc1ccc([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Br 515709067 MBULRCQIQIRKEO-VIFPVBQESA-N 449.710 4.059 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccc(SCc2cccnc2)cc1)c1cccc([N+](=O)[O-])c1 516046801 IATTZJRUBQDVHJ-HNNXBMFYSA-N 436.493 4.098 5 20 IIBD CCOc1ccc([C@H](C)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1OCC 519016326 KBUVAJHVFSKRLY-LBPRGKRZSA-N 428.894 4.085 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](C)c1cccc(N2CCCC2=O)c1 520503985 SDGJVKNANAYNAF-KGLIPLIRSA-N 431.876 4.020 5 20 IIBD Cc1cc(CNC(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)n(C)n1 521079234 NSLGGALOIBKQRK-ATVHPVEESA-N 447.520 4.494 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C3CC3)[C@H](C)C(C)C)cc2)cc1[N+](=O)[O-] 521181986 NXZNNOKDCNCZQJ-MRXNPFEDSA-N 445.541 4.353 5 20 IIBD C[C@H](c1ccc(F)c(F)c1)N(C)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 521764752 HATNGGUBXLVPQE-SECBINFHSA-N 435.246 4.017 5 20 IIBD CCOc1cc(C(=O)N[C@H]2CCc3c(Br)cccc32)c([N+](=O)[O-])cc1OC 524099391 DQPCHJKCTWRJKS-HNNXBMFYSA-N 435.274 4.182 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)Nc2nc3c(s2)CCC3)cc1[N+](=O)[O-] 531371028 KKQVMIFXDKTEIS-UHFFFAOYSA-N 436.493 4.089 5 20 IIBD O=C(NCCOc1ccc2cc(Br)ccc2c1)c1ccc(F)cc1[N+](=O)[O-] 532321453 CVTKWJNKGMHDRU-UHFFFAOYSA-N 433.233 4.458 5 20 IIBD CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1cc([N+](=O)[O-])ccc1C 532431577 JNGWPHPHLCVILY-UHFFFAOYSA-N 448.545 4.008 5 20 IIBD COc1ccc(-c2nnc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Br)s2)cc1 534239486 QSEPWMTWSFBRAN-UHFFFAOYSA-N 449.286 4.066 5 20 IIBD C[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1nc(-c2ccccc2)no1 534820231 GNAJHTVDLHNWLJ-LLVKDONJSA-N 433.371 4.171 5 20 IIBD O=C(c1cn(-c2ccc(Br)cc2)cn1)N1CCCc2c1cccc2[N+](=O)[O-] 535204964 GACKBRFFFSFUCV-UHFFFAOYSA-N 427.258 4.136 5 20 IIBD CC(C)c1ccc([C@H]2CCCN2C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 536291529 PHOFLKYEHXFBIX-GOSISDBHSA-N 429.904 4.465 5 20 IIBD C[C@@H](C(=O)Nc1ccccc1Cl)[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 536304523 BWYMIXRHIGDZGM-AOAWJKDVSA-N 433.873 4.179 5 20 IIBD O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)c1c[nH]c2cccc([N+](=O)[O-])c12 536505558 IVQSUTGDPCJMKU-UHFFFAOYSA-N 442.903 4.003 5 20 IIBD CN(C(=O)[C@H]1CSCN1C(=O)CC(C)(C)C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 539351501 YCBARIMDMORRAZ-MRXNPFEDSA-N 448.570 4.019 5 20 IIBD O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NCCc1ccc(Cl)cc1[N+](=O)[O-] 539794855 SYLSVFIQECAGKK-UHFFFAOYSA-N 435.267 4.243 5 20 IIBD COc1ccc(-c2ccc(CNc3ccccc3SCCC(N)=O)o2)c([N+](=O)[O-])c1 539921055 NOGMEACVHDWXIS-UHFFFAOYSA-N 427.482 4.443 5 20 IIBD COc1ccc(NC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)cc1[N+](=O)[O-] 542029331 JIEDAHHXPUGWPG-CYBMUJFWSA-N 449.305 4.014 5 20 IIBD CCc1ccc([C@H](NC2CCN(C(=O)CC(F)(F)F)CC2)c2ccc([N+](=O)[O-])cc2)o1 543422376 AUQKGEOJBNSVER-HXUWFJFHSA-N 439.434 4.373 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F 544461760 JZHQEAOOCUBPRB-OLZOCXBDSA-N 425.407 4.343 5 20 IIBD C[C@@H](C(=O)N1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1)c1ccc([N+](=O)[O-])cc1F 544493608 XGOVLZQDYPBFJM-HUUCEWRRSA-N 446.454 4.037 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)n2)cc1 545551429 FDTJVEAOHGOCRB-UHFFFAOYSA-N 440.412 4.252 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1cccc2c1CN(c1nccs1)C2 550556152 ADDOSTOQKOTTHK-UHFFFAOYSA-N 436.902 4.026 5 20 IIBD CN(C)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1Cl 551248709 OKYPTDWFAHODRF-UHFFFAOYSA-N 431.798 4.460 5 20 IIBD COC(=O)c1cc(C(=O)N2CCCc3c(Br)ccc(C)c32)cc([N+](=O)[O-])c1 554224675 ILALXTQOIPJUNY-UHFFFAOYSA-N 433.258 4.045 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC1CCC(C(=O)OC(C)(C)C)CC1 555928873 UHPDPVWCSXWQGU-UHFFFAOYSA-N 441.322 4.296 5 20 IIBD CN(CCCN(C)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)Cc1ccco1 557773100 BIDFNYMMQDSNJR-UHFFFAOYSA-N 439.462 4.147 5 20 IIBD CCCOc1cc(NC(=O)N2CCC[C@@H](c3ccnn3C)C2)c([N+](=O)[O-])cc1OCCC 558753207 QPOGZQOZYHZCIQ-MRXNPFEDSA-N 445.520 4.317 5 20 IIBD Cc1cc(=O)c(C(=O)N2CCC[C@](C)(c3ccccc3)CC2)nn1-c1ccccc1[N+](=O)[O-] 561074279 QSKUHPJKUCISLU-VWLOTQADSA-N 446.507 4.033 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(NC[C@@H](OCC2CC2)c2ccc(Cl)cc2)s1 561337555 FIRVVZKYCOZDCA-OAHLLOKOSA-N 430.935 4.293 5 20 IIBD Cn1nc(N[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cc1C1CC1 570893525 MWXKJKGQGUEGCZ-HXUWFJFHSA-N 425.876 4.651 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2 573637277 MQMWDLFKKNYXEL-UHFFFAOYSA-N 444.491 4.167 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(C2(C(=O)NCc3ccccc3F)CC2)no1 578099137 DRKFRSFBYBBGQD-INIZCTEOSA-N 438.459 4.201 5 20 IIBD CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 580349952 ZGJYUHCXAUGSSM-NRFANRHFSA-N 443.548 4.064 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)c(OC)cc1Cl 584679992 HJIOTQQMSZEDEC-UHFFFAOYSA-N 438.889 4.473 5 20 IIBD CCCN(Cc1c(F)cccc1Cl)C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C 603524505 ASWJFYNVMNZZGC-UHFFFAOYSA-N 431.855 4.329 5 20 IIBD COc1ccc(CSCC(=O)N[C@H](C)c2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] 603567763 MYVMNTPMEKOWNP-GFCCVEGCSA-N 426.441 4.315 5 20 IIBD O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(c3nccc(C(F)(F)F)n3)CC2)s1 603864637 PQKSWXRMWNFAOC-UHFFFAOYSA-N 449.458 4.454 5 20 IIBD Cc1ccc(CNC(=O)c2cccc(CNC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2)cc1 603902118 URZNJHVZRYBIAV-UHFFFAOYSA-N 437.883 4.417 5 20 IIBD Cc1noc(CCCNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)n1 608966287 YLFMTFWNZDLZAK-UHFFFAOYSA-N 432.889 4.453 5 20 IIBD COc1cc(CCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])cc1OC 609035049 KGBMTTYQXAEOPR-UONOGXRCSA-N 439.295 4.381 5 20 IIBD O=[N+]([O-])c1cccnc1N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 609039131 MAJZVOPCUDNMDH-UHFFFAOYSA-N 431.212 4.098 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)cc1 609465480 ZGGRREKVGRVUFY-HSZRJFAPSA-N 438.505 4.129 5 20 IIBD CCCOc1ccc(O[C@H]2CCCC[C@H]2NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 609726241 ASXCPOBLOVLIAP-QUCCMNQESA-N 442.468 4.232 5 20 IIBD O=C(N[C@@H]1C[C@@H]1c1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1Br 610043906 XCYFGTLLSGMXED-UKRRQHHQSA-N 440.091 4.406 5 20 IIBD CC[C@H](C)NC(=O)c1ccc(NC(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])c(C)c1 610094481 KTSUAYVKDSDRDA-KRWDZBQOSA-N 441.532 4.364 5 20 IIBD O=C(c1ccc(OC2CCCC2)cc1)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 614038870 MMKGGUPSLHRTIS-UHFFFAOYSA-N 449.511 4.145 5 20 IIBD CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C[C@H]1N1CCCC1 614279137 JZWDDEACASDBFG-QUCCMNQESA-N 435.615 4.281 5 20 IIBD CCOc1cccc2cc([C@@H](C)N[C@H](C)C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])oc12 619647334 IJARRPVFXYODOS-ZIAGYGMSSA-N 427.457 4.426 5 20 IIBD CN(Cc1ccccc1-c1ccccc1)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O 725781628 CNKCNADYAMASIZ-RUZDIDTESA-N 444.491 4.118 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)Nc1ccc(F)cc1Cl 725986228 UNRRNPKCUWLQCO-QMMMGPOBSA-N 445.628 4.334 5 20 IIBD C[C@H](NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1cccs1 726442334 YZXOMIUNXWYVSE-LBPRGKRZSA-N 444.504 4.433 5 20 IIBD CC(C)(C(=O)OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12)n1cc([N+](=O)[O-])cn1 726661861 WFJGNOAKMRXKBL-UHFFFAOYSA-N 432.436 4.101 5 20 IIBD COc1ccc(NC(=O)COC(=O)C(C)(C)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 727220533 WVRXMJLQRLHADH-UHFFFAOYSA-N 440.374 4.082 5 20 IIBD CC(=O)N(c1ccc(F)cc1)c1nc(COC(=O)c2cc(C)cc([N+](=O)[O-])c2N)cs1 727898765 KGJMOMBUEZYHGU-UHFFFAOYSA-N 444.444 4.123 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 729116520 AJQIHBWTXSGLIS-KRWDZBQOSA-N 441.484 4.369 5 20 IIBD Cc1csc(Sc2ccc(NC(=O)COc3ccc(C=O)cc3[N+](=O)[O-])cc2)n1 731614766 VSGYLEPSWNUXSC-UHFFFAOYSA-N 429.479 4.341 5 20 IIBD NC(=O)c1ccc(COC(=O)[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1 732587714 SAPUNXYWMMRRTA-FCHUYYIVSA-N 446.459 4.120 5 20 IIBD COc1ccc(C2=N/C(=C/c3ccc(Oc4cccnc4)c(C)c3)C(=O)O2)cc1[N+](=O)[O-] 732726988 ZECCUOSHDNHDCU-WOJGMQOQSA-N 431.404 4.444 5 20 IIBD CC[C@@H](Nc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-])c1ccccc1OC 733187407 RYNQVNROOQEWIE-GOSISDBHSA-N 433.530 4.341 5 20 IIBD C[C@H](NC1(CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCOCC1)c1ccccc1 733615158 USSNQLMNGQXDQI-HNNXBMFYSA-N 432.908 4.270 5 20 IIBD CN1C(=O)CC[C@@H](C(=O)OCc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(C(F)(F)F)cc1 734639468 MWJHXUCDTWSJNY-VQIMIIECSA-N 436.386 4.267 5 20 IIBD C[C@@H](OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(=O)N(C)Cc1c(F)cccc1Cl 736866823 PGFPBKPPFQQIFR-SNVBAGLBSA-N 429.231 4.245 5 20 IIBD COc1cc(N2CCC(OC(=O)c3nc(-c4ccccc4)oc3C)CC2)ccc1[N+](=O)[O-] 739380289 LSGIPLPLQHGVQQ-UHFFFAOYSA-N 437.452 4.393 5 20 IIBD CCN(Cc1cccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c1)C(=O)C(F)(F)F 739511373 FJVCONORTLTKJF-UHFFFAOYSA-N 437.418 4.422 5 20 IIBD COc1ccc(C(=O)COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1Br 740388228 KYCVFFGQOPTJMH-UHFFFAOYSA-N 436.258 4.070 5 20 IIBD CCc1ccc([C@@H](C)NC(=O)[C@@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 740411120 XCMZLSGMEVKGBU-CHWSQXEVSA-N 449.301 4.342 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC[C@H](O)c1c(Cl)cccc1Cl 741089827 KJMICHIODGXYID-KRWDZBQOSA-N 426.300 4.257 5 20 IIBD Cc1cc(C)c(C(=O)COC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c(C)c1 742402907 JJOGIRBCHOSJTA-UHFFFAOYSA-N 435.480 4.421 5 20 IIBD CCO[C@@H](C)c1nc(CN2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)cs1 742420757 GVZAFKZTVFKIBX-ZDUSSCGKSA-N 433.559 4.081 5 20 IIBD Cc1cccc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c1NC(=O)c1ccncc1 743749403 ANJYEMXOGUQXPI-UHFFFAOYSA-N 438.871 4.476 5 20 IIBD O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C1CCCC1 744564651 ORAYECBUSOSSGU-UHFFFAOYSA-N 428.407 4.133 5 20 IIBD C[C@@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 745074642 UMYHGBJDKCZPOF-GFCCVEGCSA-N 426.385 4.135 5 20 IIBD C[C@@H](Sc1nnc(NCC(F)(F)F)s1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 747062898 YAABYFBACQXDTN-ZCFIWIBFSA-N 441.844 4.193 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc(-c2noc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)n2)c1 747866395 AKINVMATPCKNEV-UHFFFAOYSA-N 449.427 4.240 5 20 IIBD C[C@H](NC(=O)COC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(Cl)cc1 747962025 DYBCHDRTIWELMJ-LBPRGKRZSA-N 445.884 4.406 5 20 IIBD CC[C@H](OC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])C(=O)c1ccc(NC(C)=O)cc1 748886425 TWWWTPWPJKZDAS-KRWDZBQOSA-N 446.481 4.102 5 20 IIBD CCC[C@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])C(=O)Nc1cccc(N2CCCC2)c1 750185784 CIJYZZZTYQZSEE-IBGZPJMESA-N 444.919 4.386 5 20 IIBD CCOc1ccc(NC(=O)CN2CCCCC[C@@H]2C[C@H](O)c2cccs2)c([N+](=O)[O-])c1 750838712 QMVQSISSUKNBNO-UZLBHIALSA-N 447.557 4.362 5 20 IIBD CCCn1c(SCC(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)nc2ccccc21 751621809 GNYZBOHSUIUKMW-UHFFFAOYSA-N 426.454 4.331 5 20 IIBD C[C@H](OC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 755965534 HIZDFLDFCWKMDZ-VIFPVBQESA-N 432.738 4.331 5 20 IIBD Cc1c(C(=O)OCc2ccc([N+](=O)[O-])cc2F)c(=O)oc2ccc(Br)cc12 756595040 ZHWHPDACRYUXGF-UHFFFAOYSA-N 436.189 4.268 5 20 IIBD COCCS(=O)(=O)c1ccc(CNC(=O)c2c3ccccc3cc3ccccc23)cc1 759426671 QGYMDVWZLRFCKJ-UHFFFAOYSA-N 433.529 4.343 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)C[C@@H]2CSCCS2)c2ccccc2)c([N+](=O)[O-])c1 759807017 HPBBKBQLIKOJEE-UZLBHIALSA-N 446.550 4.365 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760531113 ORPMBCZPROOEDW-KRWDZBQOSA-N 431.445 4.083 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 761488860 BOPKDOHWUJPCHM-QGZVFWFLSA-N 446.459 4.420 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c(Br)c1 763402608 KNULHAOMHIDWJY-QWHCGFSZSA-N 435.274 4.340 5 20 IIBD C[C@@H](Sc1ncccc1C(=O)O[C@H](C)c1ccccc1[N+](=O)[O-])C(=O)N1CCCC1 764597460 MKAIDURUXJJFBM-HUUCEWRRSA-N 429.498 4.011 5 20 IIBD COc1cc(COC(=O)[C@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)c([N+](=O)[O-])cc1OC(F)F 766765436 BZUHMLHAUYIHEC-MNOVXSKESA-N 447.312 4.469 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)NNc2c(Cl)cc(F)cc2Cl)cc1[N+](=O)[O-] 768052110 YBZDCECRZASNMH-UHFFFAOYSA-N 428.656 4.308 5 20 IIBD CCn1c(SCC(=O)c2cnn(-c3ccccc3)c2)nnc1-c1ccc([N+](=O)[O-])cc1 768412731 PPRMJELRZGPPPL-UHFFFAOYSA-N 434.481 4.034 5 20 IIBD Cc1cc(Cl)ccc1NC(=O)COC(=O)c1cc(Br)cc([N+](=O)[O-])c1 770157536 PVILHXGDYDDIBI-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD O=C(C1CCN(c2c([N+](=O)[O-])cnc3ccc(Br)cc23)CC1)C(F)(F)F 772304731 LVOJXHLSXXZZRO-UHFFFAOYSA-N 432.196 4.253 5 20 IIBD O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)c1cnc(Oc2ccccc2)cn1 773463813 WCMRFDOESQXAJN-UHFFFAOYSA-N 430.214 4.297 5 20 IIBD CCn1c(COC(=O)c2sc(Br)cc2[N+](=O)[O-])nc2c(F)cccc21 773603877 SBGNDUAVKBDPSM-UHFFFAOYSA-N 428.239 4.285 5 20 IIBD COc1cc(C(=O)OCc2nncn2C2CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 773849228 QWZJQNNXGSKEIF-UHFFFAOYSA-N 444.831 4.333 5 20 IIBD CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 773996126 JRSOSKRXERMYPB-OAHLLOKOSA-N 448.566 4.157 5 20 IIBD CCn1nccc1C(=O)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 775018328 JKMDATNLYYCJDC-SFHVURJKSA-N 428.832 4.001 5 20 IIBD COc1ccc(SC)c(OC)c1C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 775957940 CHASWKWPRVYQAM-NSHDSACASA-N 445.453 4.302 5 20 IIBD CSc1cccc(C(=O)N2C[C@H]3[C@@H](NC(=O)OC(C)(C)C)CCC[C@H]3C2)c1[N+](=O)[O-] 776905193 BHNLOJFIQFOWDT-IMJJTQAJSA-N 435.546 4.082 5 20 IIBD CC1=C(C(=O)Nc2ccc(C)cc2Cl)[C@H](c2ccc([N+](=O)[O-])cc2F)NC(=S)N1 777942963 CIVJCXOGSDRBHZ-KRWDZBQOSA-N 434.880 4.127 5 20 IIBD CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781629840 AZUNUJSVBVTPKK-UHFFFAOYSA-N 440.334 4.052 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(NC(=O)c2cccs2)cc1 781636150 OFNQONITSMPNAM-UHFFFAOYSA-N 440.437 4.388 5 20 IIBD COc1ccc(CNC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OC2CCCC2)c1 781694056 SFXJGSXJQIRDGC-UHFFFAOYSA-N 443.456 4.082 5 20 IIBD O=C(NCc1cccc(OCC(F)(F)F)c1)c1cccc([N+](=O)[O-])c1Br 782166511 GQWCAVVPRGDQTI-UHFFFAOYSA-N 433.180 4.228 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 782458016 INFVGTHGGGOSKE-KGLIPLIRSA-N 443.422 4.228 5 20 IIBD COc1ccc(NC(=O)N(Cc2ccccc2)C[C@H](O)c2ccsc2)cc1[N+](=O)[O-] 782623923 DQUKVYPCLSSWBA-IBGZPJMESA-N 427.482 4.433 5 20 IIBD Cc1cccc(Nc2nnc(SCCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)c1 783719030 MMRRJFPLILLTOJ-UHFFFAOYSA-N 436.540 4.064 5 20 IIBD O=C(Nc1ccccc1)c1cccc(COC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1 785675360 FTTOBJKZLVIWNN-UHFFFAOYSA-N 442.431 4.390 5 20 IIBD Cc1c(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cccc1N1CCOC1=O 785837511 IZAYBKWUBABAGA-UHFFFAOYSA-N 438.362 4.200 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)OCC(=O)N(C)c3nccs3)cc2[N+](=O)[O-])cc1 787981647 CNDRPAAYURHENF-UHFFFAOYSA-N 443.506 4.331 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)NCc2cc(-c3ccccc3)on2)c(Cl)cc1Cl 791422396 ZNCXMIKOOWZNNO-UHFFFAOYSA-N 428.253 4.035 5 20 IIBD COc1ccc(OC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)cc1[N+](=O)[O-] 792118707 IHTKSYICNHOGPS-UHFFFAOYSA-N 434.857 4.440 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(Cc1ccccc1)Cc1ccc(F)cc1 800628130 UBOPWLDXKUSIQM-UHFFFAOYSA-N 439.418 4.349 5 20 IIBD Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)C(=O)Nc1c(F)ccc([N+](=O)[O-])c1C 800631895 MLKDFNFWLXAPPI-AWEZNQCLSA-N 428.464 4.307 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(CCc1ccc(F)cc1)C1CCCC1 800633051 YXHIYYPWIBHXQB-UHFFFAOYSA-N 431.439 4.134 5 20 IIBD O=C(Nc1nc2ccc(Cl)nc2s1)c1cc(F)cc([N+](=O)[O-])c1Br 807961082 BGCIHMNAVMLYTH-UHFFFAOYSA-N 431.630 4.407 5 20 IIBD Cc1c(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)ccnc1Cl 810293977 JZKVASVXFCJQFO-UHFFFAOYSA-N 443.813 4.325 5 20 IIBD Cc1csc(Nc2ccc(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)cc2)n1 811319822 AWMHTHPQTITFAM-UHFFFAOYSA-N 427.438 4.327 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)Nc1ncc(Cl)cc1Cl 815512140 JNZJAFOMZABGAK-UHFFFAOYSA-N 438.145 4.111 5 20 IIBD O=C(NC[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C1)Nc1cccc(F)c1 816915509 BSFXTFDUNPBZHP-ZDUSSCGKSA-N 434.855 4.061 5 20 IIBD CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)cc1 821132773 ZPKGCMRNSIZXLN-UHFFFAOYSA-N 446.312 4.184 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Oc1cc(Cl)ccc1Cl 901442391 IRMQAPFIMIFWFM-HNNXBMFYSA-N 443.308 4.359 5 20 IIBD COc1ccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1NC(=O)OC(C)(C)C 917740233 QIZRHECHVPVJMA-UHFFFAOYSA-N 437.474 4.060 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])c2ccc(Br)cc2n1 919524782 SNJQFMOSGZPCEN-UHFFFAOYSA-N 444.241 4.009 5 20 IIBD COc1ccc(C[C@@H]2CCCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3N)C2)cc1 1117795467 MYPKXIXXOCQGRQ-AWEZNQCLSA-N 448.317 4.043 5 20 IIBD O=C(C[C@H](O)c1ccc(OCc2ccccc2)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 1320793811 YLYHPUVXAARZPJ-DEOSSOPVSA-N 432.476 4.182 5 20 IIBD CCC[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(C)c([N+](=O)[O-])cn2)C3)CC1 1801813938 YWOYWISIYYOBOI-CCQCEHTISA-N 442.560 4.157 5 20 IIBD Cc1c(C(=O)N2CC3(CCCN3C(=O)[C@H]3CC[C@H](C)CC3)C2)cc(Cl)cc1[N+](=O)[O-] 1846687188 IZTBCERWINTVDX-KOMQPUFPSA-N 433.936 4.200 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])s1)Nc1cc(C2CCCC2)nn1-c1ccccc1 9943185 ORNXBDIQSZNUAB-UHFFFAOYSA-N 440.481 4.295 5 20 IIBD COc1ccc(NC(=O)CN2CCc3sccc3[C@H]2c2cccs2)c([N+](=O)[O-])c1 15548631 JSDIZQXIPZFLPI-FQEVSTJZSA-N 429.523 4.313 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Sc2nncn2-c2ccc(C)c(Cl)c2)c([N+](=O)[O-])c1 17105724 KTSFZJDEJVNLHM-LBPRGKRZSA-N 447.904 4.265 5 20 IIBD COc1cc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2OC)ccc1OCc1ccccc1 18134733 NPRKIIWMIZQPTE-UHFFFAOYSA-N 436.464 4.463 5 20 IIBD Cc1noc(C)c1COC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 28140224 BPSZWSLIVBOATE-UHFFFAOYSA-N 432.436 4.338 5 20 IIBD CCCCN1C(=O)CC[C@H](C(=O)OCc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1OC 28238250 LNPQROTZALFIFZ-CVDCTZTESA-N 440.496 4.427 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCN(Cc4ccccn4)CC3)cc2[N+](=O)[O-])cc1 33237170 LBXZTDXIBGZPAQ-UHFFFAOYSA-N 448.548 4.407 5 20 IIBD O=C(Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1)c1n[nH]c2ccc([N+](=O)[O-])cc12 72035263 YBOYOFORPHMWLF-UHFFFAOYSA-N 430.399 4.330 5 20 IIBD COc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1OCc1ccncc1 106101016 XDQCNYPUFNSUKD-UHFFFAOYSA-N 425.466 4.308 5 20 IIBD O=C(N[C@H](COc1ccccc1F)c1ccccc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 107964243 XDRPINYYEZLURK-JOCHJYFZSA-N 446.438 4.470 5 20 IIBD Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1S(=O)(=O)Nc1ccccc1F 301398463 GGFYZCBDHMDQGO-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N[C@@H]1CCN(c2ccccc2Br)C1 301399887 PNKPTYODQCEPMU-CYBMUJFWSA-N 447.289 4.005 5 20 IIBD COc1cccc(OC)c1OC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 409751612 GHPWBZRCJBXSOS-UHFFFAOYSA-N 435.864 4.341 5 20 IIBD C[C@H](c1cccnc1)N1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 426870074 ZBOYYUCFMSVVRR-LJQANCHMSA-N 446.507 4.088 5 20 IIBD O=C(Cc1csc(-c2ccc(Cl)cc2)n1)N1CCOc2ccc([N+](=O)[O-])cc2C1 427972065 ALRBRGMTOFSUTJ-UHFFFAOYSA-N 429.885 4.335 5 20 IIBD COc1ccc(CN2CCOC[C@H](C3CCC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 430169133 SORPWNAANBKHJC-OAQYLSRUSA-N 426.513 4.431 5 20 IIBD Cc1cc(NC(=O)Cc2cc(Br)ccc2F)n(-c2ccc([N+](=O)[O-])cc2)n1 433949780 STIWGBKYGGURRT-UHFFFAOYSA-N 433.237 4.172 5 20 IIBD O=C(O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)cs1 435134621 IZJDKRYHLVOFOA-UHFFFAOYSA-N 442.521 4.368 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N(CCn1ccnc1)Cc1cccc(Cl)c1 435332243 LFIDAFPNNOJFHZ-UHFFFAOYSA-N 437.887 4.198 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(Br)s1 436005676 YJUGXUQANWOLGE-UWVGGRQHSA-N 428.308 4.105 5 20 IIBD O=C(NCCNc1ncc(Cl)cc1Cl)c1ccc2[nH]c3ccccc3c(=O)c2c1 436072262 ZSJRHCCPNFBPRL-UHFFFAOYSA-N 427.291 4.225 5 20 IIBD Cc1sc(NC(=O)CSCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c(C)c1C 437265317 HXARKIHBEPKIPW-UHFFFAOYSA-N 435.527 4.251 5 20 IIBD O=C(NCC1CCN(Cc2cccs2)CC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 438013486 SCNPCPLXFLDDTO-UHFFFAOYSA-N 428.558 4.243 5 20 IIBD Cc1nc(-c2cccc(NC(=O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)c2)cs1 438653372 FETURSNXFWAGCF-UHFFFAOYSA-N 438.509 4.402 5 20 IIBD Cc1cccc2c(=O)n(CCC(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc3)cnc12 440602381 XZUWMQIXSMBDMC-UHFFFAOYSA-N 442.475 4.237 5 20 IIBD O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCC(O)(C(F)(F)F)CC1 442658822 XTAWSNYNZYVJJW-UHFFFAOYSA-N 426.416 4.275 5 20 IIBD CCOc1ccc(S(=O)(=O)N(C)c2ccc(Oc3ncc([N+](=O)[O-])s3)cc2)cc1 443428084 JRPBIPVQVKXSPG-UHFFFAOYSA-N 435.483 4.067 5 20 IIBD CCOC1CC(O)(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1 444589029 HQADYYWHMIDKJT-UHFFFAOYSA-N 436.917 4.059 5 20 IIBD CCS(=O)(=O)c1ccc(-c2noc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2)cc1 445590036 ASFBWRFYTXUSMY-UHFFFAOYSA-N 427.360 4.124 5 20 IIBD CCCOc1ccc(NC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1OCCC 446471101 IGVYRMKHSNRLAF-UHFFFAOYSA-N 429.473 4.366 5 20 IIBD COc1ccc(CSCC(=O)Nc2c(F)cc(C(C)=O)c(F)c2F)cc1[N+](=O)[O-] 461094173 JWXVSHMKAJKDBP-UHFFFAOYSA-N 428.388 4.095 5 20 IIBD COC(=O)[C@H](CC(F)(F)F)NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 463207107 ABEXJZOJBGCSFL-AWEZNQCLSA-N 434.436 4.101 5 20 IIBD CC[C@@H]1Oc2cc([C@H](C)NC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])ccc2NC1=O 465356050 FDYSPKGSYSGPCG-SJCJKPOMSA-N 447.875 4.004 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCC[C@@H]3CC(=O)c3ccco3)cc2[N+](=O)[O-])CC1 468359619 XWHZIUXVEXNBNN-GOSISDBHSA-N 425.485 4.302 5 20 IIBD CC[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC[C@@H]1c1ccccc1 470203508 CMLHUBUFQJBYNV-NZSAHSFTSA-N 441.553 4.303 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 470225879 HKSNSTRYYBAAEM-INIZCTEOSA-N 447.278 4.381 5 20 IIBD COc1cc(C(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)c([N+](=O)[O-])cc1OC 470628153 RJJAJCGKIXNGLE-UHFFFAOYSA-N 438.824 4.175 5 20 IIBD CCC[C@H]1CCc2ccccc2N1C(=O)c1cc(OC)c(OCCOC)cc1[N+](=O)[O-] 471261324 TYJAQDIVNXQTPP-KRWDZBQOSA-N 428.485 4.390 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1cccc(I)c1 471339067 ZMBMEQZQQIQAKU-UHFFFAOYSA-N 438.265 4.179 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1F 472527088 HEJXRWZLKWRGAL-CQSZACIVSA-N 439.447 4.184 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[C@H]2OCC[C@H]12 472904021 LEXSAWNNXKLNTM-DNVJHFABSA-N 446.507 4.064 5 20 IIBD CN(C(=O)CN1CCSC[C@H]1c1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 473194754 UDKZMIPCFADMNK-SFHVURJKSA-N 439.459 4.367 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 477005084 QRFITJFNOYEANH-MRXNPFEDSA-N 448.888 4.214 5 20 IIBD CC(=O)N(Cc1ccc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1)C1CC1 477608062 AZIMPLZZYWARQY-UHFFFAOYSA-N 430.892 4.123 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSCc1ccc(Cl)cc1-n1cncn1 479607297 ROJXHETUXVJMCH-UHFFFAOYSA-N 445.888 4.060 5 20 IIBD CC[C@H](c1ccccc1)c1nnc(NS(=O)(=O)c2c([N+](=O)[O-])ccc(C)c2C)s1 479985859 MHQUASLXUXCPTG-OAHLLOKOSA-N 432.527 4.406 5 20 IIBD O=C(N[C@@H]1CCN2CCC[C@H]2C1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 480508974 ACDAGZHELOJAQU-SJORKVTESA-N 428.920 4.217 5 20 IIBD COc1ccccc1-c1nc(C2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC2)no1 481398915 FVMAEMOEJNIEAE-UHFFFAOYSA-N 448.435 4.419 5 20 IIBD Cc1c(CNC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] 481471737 AIQZZMAIWNMQAB-YLJYHZDGSA-N 449.429 4.148 5 20 IIBD Cc1nc2cc(Cl)c(NC(=O)C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)cc2s1 484324503 VDCTZFLBNPPCNH-UHFFFAOYSA-N 444.900 4.296 5 20 IIBD Cc1c(NC(=O)CCN2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)cccc1[N+](=O)[O-] 485365146 VLLLZCACJFMTAJ-XUZZJYLKSA-N 436.556 4.218 5 20 IIBD COC(=O)c1c(Br)ccc(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1C 486729295 BAZDCQNBVZGNRU-UHFFFAOYSA-N 436.262 4.116 5 20 IIBD C[C@H](NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)C(=O)NCc1ccccc1 487232926 KYONOAAFLBWXSV-INIZCTEOSA-N 435.505 4.181 5 20 IIBD Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 487511798 IHCMXFXOYMRSLW-UHFFFAOYSA-N 441.438 4.129 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](CNC(=O)C(C)(C)C)C1 487646408 CPNAZGVKLXCDGI-MRXNPFEDSA-N 435.590 4.357 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc1[N+](=O)[O-] 487817017 KVIBNXOUFJKWQI-VXGBXAGGSA-N 427.427 4.400 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)Cc3ccc([S@](C)=O)cc3)cc2[N+](=O)[O-])C1 488101513 VEDXRTZLXZJZSZ-KEGLGMRESA-N 443.569 4.087 5 20 IIBD Cc1ccc(NCCCNC(=O)Nc2ccc(F)cc2OC2CCOCC2)c([N+](=O)[O-])c1 488833915 BQIZBSVMVSJYJC-UHFFFAOYSA-N 446.479 4.224 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nnc(Cc2c(F)cccc2Cl)o1 488837188 JRACSRFTWVEZHT-UHFFFAOYSA-N 436.852 4.400 5 20 IIBD O=C(NC[C@@H]1CCO[C@@H]1c1ccccc1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 489270931 PCZHLNCJCKKRBL-IZHWHUGBSA-N 434.442 4.467 5 20 IIBD CCOc1ccccc1NC(=O)CCSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC 489439168 QJQQEDGWBKQRLZ-UHFFFAOYSA-N 441.513 4.393 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C1CCN(Cc2ccccc2)CC1 489981463 LXWUEZYSPYIYDU-UHFFFAOYSA-N 443.569 4.070 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1C 489986029 YNLUPIDARNCRPY-UHFFFAOYSA-N 449.554 4.017 5 20 IIBD O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 490817783 ILXDYXBOUQKJKD-HXUWFJFHSA-N 434.452 4.123 5 20 IIBD Cc1ccccc1CN(Cc1ccccc1)C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 491230514 XTEZVFLKLXLRAV-UHFFFAOYSA-N 431.448 4.040 5 20 IIBD COCCC[C@H](CNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)c1ccc(Cl)cc1 506215652 PGAMPUMECGQMAD-QGZVFWFLSA-N 447.919 4.130 5 20 IIBD CCOc1ccccc1[C@@H](CC)Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 507028210 TYDPZJPUDLXNCG-GOSISDBHSA-N 433.530 4.341 5 20 IIBD CCCN(C(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@@H](C)c1cc2ccccc2o1 507503243 VRESDLONFGYZAJ-HNNXBMFYSA-N 439.468 4.079 5 20 IIBD CCCN(CCCOc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)c2ccccc2)CC1 507595052 DBJLGIYWMPMSME-UHFFFAOYSA-N 425.529 4.381 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1 507901333 HYODXMZGMSAPIL-SJLPKXTDSA-N 428.432 4.369 5 20 IIBD CCOC(=O)c1ccc(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 508208152 MVIYVVDQWRYGHO-INIZCTEOSA-N 448.479 4.270 5 20 IIBD COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)CC2 508771665 TZEUBMRAKWSDRX-DEOSSOPVSA-N 448.475 4.409 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1cnc2c(c1)CCCC2 509314418 PALHRJGLYIPYET-UHFFFAOYSA-N 437.237 4.034 5 20 IIBD Cc1cc(Cl)ccc1OCCCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 510297238 HJZPIPRFRXDQEQ-UHFFFAOYSA-N 428.876 4.156 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(Cl)ccn3)cc2)cc1[N+](=O)[O-] 511118370 BTPJHXMAHZNOBM-UHFFFAOYSA-N 446.872 4.005 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C(C3CC3)C3CC3)cc2)cc1[N+](=O)[O-] 512289938 QUMDJGPAAHJQRX-UHFFFAOYSA-N 429.498 4.079 5 20 IIBD CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCN(C(=O)c2ccccc2)CC1 513094484 IECJQSYYLBXMRS-UHFFFAOYSA-N 436.537 4.455 5 20 IIBD C[C@H](N[C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccc(OCC(=O)NC2CC2)cc1 513785678 RAQRJWZZBAWDOM-LTMIRXACSA-N 437.540 4.314 5 20 IIBD O=C(c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)N1CCCc2c1cccc2[N+](=O)[O-] 513840939 KAALSNAQVZEPDH-UHFFFAOYSA-N 433.464 4.117 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](CNC(=O)c2ccco2)C1 514201586 JCBWOUVLZOSJBT-INIZCTEOSA-N 445.541 4.218 5 20 IIBD CC(C)c1ccc(CNCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)cc1[N+](=O)[O-] 515559171 FQNHUHUYCHQPQG-UHFFFAOYSA-N 436.512 4.377 5 20 IIBD CC(=O)N(c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1)[C@@H]1C[C@H]1C 519724360 JIHMZVNLAWNXIQ-ADLMAVQZSA-N 432.274 4.371 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 519983022 RAIWSJZLFYVWOL-LJQANCHMSA-N 435.867 4.361 5 20 IIBD COC(=O)CCc1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 520543746 ODGYMIBCGGFSHY-UHFFFAOYSA-N 425.485 4.189 5 20 IIBD O=C(Nc1ccnn1Cc1ccc(Cl)c(F)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 520913876 WOYMZFBUAXKOQS-UHFFFAOYSA-N 429.839 4.459 5 20 IIBD O=C(Nc1ccc(Cc2nnc3ccccn23)cc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 521078884 GZOAGXLKMMDEHW-UHFFFAOYSA-N 428.452 4.055 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(F)cc1F 521763543 QWFXQQBAUROAOV-UHFFFAOYSA-N 449.435 4.295 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 522646910 LLABVLJBMCJGJG-GOSISDBHSA-N 443.258 4.410 5 20 IIBD COc1cc(C(=O)N[C@H]2CSc3ccccc32)c([N+](=O)[O-])cc1OCc1cscn1 522728461 AJTPNGOZTFADBW-HNNXBMFYSA-N 443.506 4.216 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc(Cl)c1Cl 522811960 WRCVEAANNPXBGZ-MRVPVSSYSA-N 448.209 4.319 5 20 IIBD CN(C)C(=O)c1cc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)ccc1F 531465544 OSPXIUDDNYDEBE-UHFFFAOYSA-N 436.443 4.300 5 20 IIBD C[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CCN1CC(F)(F)F 534233410 DPPZPDZOEPWKEX-CQSZACIVSA-N 438.406 4.487 5 20 IIBD O=C(N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1)c1cc2c(cc1[N+](=O)[O-])OCO2 535068725 WOZRZICSDBHUEL-KRWDZBQOSA-N 425.828 4.086 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(CCN(Cc4ccccc4)C3)CC2)c1 535669082 BSKGQSZYCGOBJC-UHFFFAOYSA-N 425.554 4.445 5 20 IIBD CC(C)(C(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1)c1ccc([N+](=O)[O-])cc1 537550756 NWOMSTRJWFSWCX-QGZVFWFLSA-N 425.533 4.444 5 20 IIBD C[C@@H]1CN(CCC2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)C[C@@H](C)O1 537619994 MPMYKWHVYVXENV-QZTJIDSGSA-N 444.601 4.430 5 20 IIBD CCOc1cc(Sc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)ccc1[N+](=O)[O-] 538893040 JMFKUXCPCXFNFE-UHFFFAOYSA-N 433.442 4.221 5 20 IIBD CCc1nc2ccccc2n1C1CCN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC1 538969579 JJLNPTKTVUWJBC-UHFFFAOYSA-N 442.541 4.150 5 20 IIBD COc1cc(F)c([C@H](C)N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC 540392876 CILZPPZXRHWHOD-QWRGUYRKSA-N 425.844 4.082 5 20 IIBD COC[C@H](C)n1c(SCC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)nnc1-c1ccccc1 540751266 ZRNZLYLHSNJJTK-HNNXBMFYSA-N 441.513 4.100 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC(CCC(=O)O)CC2)cc1 540784366 UBCHSGPOKHYZIE-UHFFFAOYSA-N 428.441 4.113 5 20 IIBD CCc1ccc([C@H](NCc2ccc(N3CCO[C@H](C)C3)nc2)c2ccc([N+](=O)[O-])cc2)o1 541545710 JSDIFJVUXNJACD-MZNJEOGPSA-N 436.512 4.250 5 20 IIBD Cc1csc([C@@H](C)CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1 541753044 FBQUUYJFQGDWLL-DZGCQCFKSA-N 425.514 4.461 5 20 IIBD COc1ccccc1OCC(=O)Nc1cccc(Nc2ncnc3cccc([N+](=O)[O-])c23)c1 542506373 CDRQCEVJUYOYGB-UHFFFAOYSA-N 445.435 4.308 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CCO[C@H](c3cccc(OC(F)F)c3)C2)c1Br 542507274 MBEXCXNGEOKTIR-AWEZNQCLSA-N 444.232 4.240 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc(F)c(NC(=O)c2ccoc2C)c1 543277506 MALURMYWZFGGOV-UHFFFAOYSA-N 442.403 4.218 5 20 IIBD COc1cc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc(OC)c1Br 543451916 YUVQKNTWTYOAQG-SECBINFHSA-N 427.226 4.256 5 20 IIBD O=C(Nc1cnn(-c2ccccc2)c1C(F)(F)F)c1cc(O)nc2ccc([N+](=O)[O-])cc12 544360928 MTSQEMXRAMGJQM-UHFFFAOYSA-N 443.341 4.305 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1ncccc1OCc1cccc(Cl)c1 546086589 GRSYQHGIKPTADV-UHFFFAOYSA-N 433.873 4.164 5 20 IIBD COc1cc(CNc2ccc3c(c2)OCC(=O)N3C)ccc1OCc1ccc([N+](=O)[O-])cc1 547398508 MGCDFMWFBWIVAB-UHFFFAOYSA-N 449.463 4.150 5 20 IIBD O=C1N[C@](c2ccccc2)(C(F)(F)F)C(=O)N1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F 549336971 OVWCGUUJCPCGRC-INIZCTEOSA-N 447.291 4.123 5 20 IIBD C[C@H](O)C[C@H]1CCCCCN1C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 553047651 PGCFRWIDOSQSAN-JENIJYKNSA-N 426.517 4.319 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(-c2cccc(N3CCC3=O)c2)no1 556330651 NSMFXXMARSVZGK-UHFFFAOYSA-N 429.230 4.119 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c1 558829195 VWXBQTWHRLZRQE-HNNXBMFYSA-N 440.431 4.202 5 20 IIBD COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)CC3 563309867 NHHQEMYUEINWDI-UHFFFAOYSA-N 447.369 4.080 5 20 IIBD COC(=O)c1cc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c(C)cc1Br 570718032 RLCVWUZKTYQJHT-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 571368883 ODQGIXYTYQZYAC-INIZCTEOSA-N 427.354 4.045 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CNCc2coc(-c3cccs3)n2)c1 573965449 VZKFFVWZJSJNRS-UHFFFAOYSA-N 441.250 4.206 5 20 IIBD COc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)N2CCCC2)cc1 576005479 UPQBOOICAZJMBT-IBGZPJMESA-N 437.418 4.189 5 20 IIBD Cc1nc(NC(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)ccc1-c1ccccc1 583782919 HVZMYUHMVXPPPQ-UHFFFAOYSA-N 430.464 4.095 5 20 IIBD COc1ccc(CCN(Cc2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 586179068 SFQPHCHVNWIUJM-UHFFFAOYSA-N 426.494 4.037 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)c1C 602092119 FCCBSSMAGNBUGC-UHFFFAOYSA-N 439.465 4.338 5 20 IIBD O=C(Nc1ccccc1COCc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 603695811 LTMQHXQEPSIFCO-UHFFFAOYSA-N 447.495 4.061 5 20 IIBD Cc1nn(CCC(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)c(C)c1[N+](=O)[O-] 608805599 QGDRFFMUGKFYHY-UHFFFAOYSA-N 447.923 4.153 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3cn4cccnc4n3)c2)cc1SC 609126587 KWIXSXQGEOETMV-UHFFFAOYSA-N 435.465 4.287 5 20 IIBD COC(=O)c1c(F)cccc1NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 609217490 RLZOAMOPVOMSRP-ZDUSSCGKSA-N 438.415 4.341 5 20 IIBD CC(C)OC1CCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1 609331224 QMHUVBSMLRHYFN-UHFFFAOYSA-N 443.466 4.246 5 20 IIBD CCCOc1cc(NC(=O)c2cncc(-c3cnn(C)c3)c2)c([N+](=O)[O-])cc1OCCC 609407442 GFMRCNWSGGPSKC-UHFFFAOYSA-N 439.472 4.220 5 20 IIBD O=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1cc2cc([N+](=O)[O-])ccc2s1 609608936 DOWCXIVLDIPBAK-HNNXBMFYSA-N 449.410 4.364 5 20 IIBD CC(C)(C)[S@](=O)Cc1cccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 609695191 FBKVIWXAJJREQX-WJOKGBTCSA-N 443.569 4.497 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NC[C@@H](O)CC(C)(C)C)cc1[N+](=O)[O-] 609772328 HYGLYWICNQVNAB-HNNXBMFYSA-N 430.526 4.075 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCS[C@@H](c2ccccc2)C1 610264911 OAPGCXCYDMFWKL-OAHLLOKOSA-N 433.338 4.380 5 20 IIBD O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 610879035 JHAUXZKWNZVZAT-INIZCTEOSA-N 430.455 4.074 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC(OCc2ccc(F)cc2)CC1 611258100 PQOBEOJFGOCAGS-UHFFFAOYSA-N 429.492 4.447 5 20 IIBD CO[C@@H]1CCCN(c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])CC1 611931411 RLEMMQZUYNKAMA-QGZVFWFLSA-N 433.530 4.018 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1CCO[C@H]([C@@H]2CCCO2)C1 613400907 BBDYJHJDFNEEPO-OALUTQOASA-N 448.928 4.419 5 20 IIBD O=[N+]([O-])c1ccc2ncnc(N3CCO[C@@H](c4ccc(F)c(Br)c4)C3)c2c1 613896373 XVXPKAIDZRMHSB-QGZVFWFLSA-N 433.237 4.018 5 20 IIBD C[C@H](OC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C(=O)N[C@@H](C)c1cccc2ccccc12 725936766 JAQNYWPIVVPGKJ-STQMWFEESA-N 428.391 4.449 5 20 IIBD CC(C)(C)c1ccc(Cn2nccc2NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 727245235 FOFFVURYIUCTNS-UHFFFAOYSA-N 432.477 4.077 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 728166380 GBNVKHRILCLGMH-UHFFFAOYSA-N 434.792 4.430 5 20 IIBD CN(C[C@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1)C(=O)OC(C)(C)C 729395550 LOZOTFICQJXJFG-CQSZACIVSA-N 446.529 4.047 5 20 IIBD Cc1c(C(=O)O[C@@H](c2ccc(Cl)cc2)c2cccnc2)nnn1-c1cccc([N+](=O)[O-])c1 730427597 AUSJDACVGRIACZ-NRFANRHFSA-N 449.854 4.479 5 20 IIBD O=C(Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 731464537 NEQWOWKNBNVDGA-UHFFFAOYSA-N 441.787 4.056 5 20 IIBD CCOC(=O)N1[C@@H](C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1c1ccc(C)o1 739589758 PSIYSBTWSLZDKV-WOJBJXKFSA-N 443.500 4.297 5 20 IIBD CC(C)(C)OC(=O)NC1CCC(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 739796981 LZBNRASUKMRRQV-UHFFFAOYSA-N 446.529 4.284 5 20 IIBD Cc1c(C(=O)N2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)sc2ccccc12 741200136 IUVGHDVWGCICBU-DHZHZOJOSA-N 435.505 4.116 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccccc1SCC=C(C)C 741372803 ZFBBJZDJJIUDGY-UHFFFAOYSA-N 430.482 4.457 5 20 IIBD Cc1c(C(=O)O[C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 744769453 NPQOEFHDXNQBGP-NSHDSACASA-N 446.803 4.357 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2c[nH]cc2-c2ccc(Cl)s2)c([N+](=O)[O-])c1 744833033 VQGFMJUNYLWEDL-SNVBAGLBSA-N 449.872 4.497 5 20 IIBD Cc1sc(NC(=O)C(C)C)c(C(=O)O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c1C 744938386 YILNLBKTCZLVJO-GFCCVEGCSA-N 433.486 4.052 5 20 IIBD CC(C)c1ccc(C(=O)Nc2sccc2C(=O)OCCn2ccc([N+](=O)[O-])n2)cc1 748116550 PCXVFPFXGHRZQY-UHFFFAOYSA-N 428.470 4.086 5 20 IIBD CCOC(=O)c1cc(-c2ccccc2)ccc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 748194423 JOYKDJHEJRCJSE-UHFFFAOYSA-N 434.404 4.420 5 20 IIBD CC(C)(C)OC(=O)Nc1ccccc1C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 748330715 BLOGGEWFJSSHLR-UHFFFAOYSA-N 440.412 4.349 5 20 IIBD O=C(CCC(=O)c1ccc(Cl)cc1)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 750433436 GPYAYINGJRJQMN-UHFFFAOYSA-N 431.876 4.066 5 20 IIBD C[C@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])[C@H](O)c1c(Cl)cccc1Cl 751961426 KHAWOEWSLLWZIB-VOJFVSQTSA-N 449.294 4.400 5 20 IIBD C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1NC(=O)c1cccc([N+](=O)[O-])c1Br 753837781 ZBSLIZIIUBSJTR-GJZGRUSLSA-N 446.345 4.244 5 20 IIBD O=[N+]([O-])c1cccc2c1CCN2Cn1nc(-c2cccnc2)n(Cc2ccccc2)c1=S 754776527 MNTXKNDEPIMSAU-UHFFFAOYSA-N 444.520 4.453 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F 754987682 YNJMVRQYQZPDRL-UHFFFAOYSA-N 431.203 4.153 5 20 IIBD O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cc(F)cc([N+](=O)[O-])c1Br 754990033 PTPLBKXAUGKEML-DOTOQJQBSA-N 441.228 4.286 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCSC[C@H]1c1ccccc1 755010306 AXBJLQRNFAXBML-HNNXBMFYSA-N 425.279 4.427 5 20 IIBD COc1cc(C2SCCS2)ccc1OS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C 755056625 HWGKTGSXJUUCEO-UHFFFAOYSA-N 441.552 4.467 5 20 IIBD CCc1c(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1CCC(C)C 755597295 YDWRUZHOAHBOBP-AWEZNQCLSA-N 427.461 4.368 5 20 IIBD CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1Br 758348457 VSUXPZZPAGJUQL-LBPRGKRZSA-N 444.326 4.171 5 20 IIBD O=[N+]([O-])c1ccc(-c2cnn(CN3CCO[C@@H](c4cccc(OC(F)F)c4)C3)c2)cc1 758378102 YNTUBBONOASCFJ-HXUWFJFHSA-N 430.411 4.091 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNC[C@H]2CSCCS2)cc1 759835139 STBAPEDKTIAIBQ-FQEVSTJZSA-N 426.567 4.386 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)[C@@H](C)CC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 759844691 HGBZAZACBDLVGV-STQMWFEESA-N 448.859 4.036 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1nc(-c2cc(F)c(F)c(F)c2)no1 767982394 LVYBBKDRZFEZNS-SECBINFHSA-N 439.371 4.286 5 20 IIBD COc1cc([C@@H](C)NS(=O)(=O)c2csc([N+](=O)[O-])c2)ccc1OC1CCCC1 768807148 JHDVJUTZIIPZOM-GFCCVEGCSA-N 426.516 4.026 5 20 IIBD Cc1cc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)n(-c2ccc([N+](=O)[O-])cc2)n1 770474603 BVUARKJTOLXOCH-UHFFFAOYSA-N 446.217 4.012 5 20 IIBD CC(C)([C@H](OC(=O)c1cccc2nc(O)oc12)c1ccc(Br)cc1)[N+](=O)[O-] 774375829 TUBWROMPWNCOHW-OAHLLOKOSA-N 435.230 4.249 5 20 IIBD O=C(CCCOc1ccc2c(c1)OCO2)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776131931 BTQYGYRIUKZCLJ-QHCPKHFHSA-N 436.420 4.210 5 20 IIBD CSc1cccc(C(=O)O[C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)c1[N+](=O)[O-] 777080950 YGIKRRCOKLLRBE-CQSZACIVSA-N 429.498 4.101 5 20 IIBD CCOc1cc(N2CCOC(C)(C)C2)ccc1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 780158655 FCKYSQCPGDOAGL-INIZCTEOSA-N 442.516 4.048 5 20 IIBD CC[C@H](c1ccccc1)c1nnc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 781647900 DBFOFBBKYKZYEU-MRXNPFEDSA-N 441.469 4.468 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)C(C)(C)CC(=O)c1ccc(Cl)cc1 781750962 BWIBRXYQBQRUDL-UHFFFAOYSA-N 432.860 4.338 5 20 IIBD CC[C@@H](c1ccccc1)c1nnc(SCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 783898880 QOLGAPKRYFAHIL-KRWDZBQOSA-N 433.511 4.086 5 20 IIBD COc1ccc(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])c(OCc2ccccc2)c1 784679352 HZUHZJSICVZQMN-UHFFFAOYSA-N 436.420 4.012 5 20 IIBD C[C@H]1[C@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)CCN1C(=O)OC(C)(C)C 786615869 WEFVRFMEWURBMD-DZGCQCFKSA-N 445.438 4.131 5 20 IIBD O=C(O[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1)c1csc(-c2ccccn2)n1 787026461 OSHFYMYPWCZWMI-CQSZACIVSA-N 428.445 4.078 5 20 IIBD O=C(NCC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1)OCc1ccccc1 787785658 MMFRRJRLLHJIAU-UHFFFAOYSA-N 437.452 4.120 5 20 IIBD COc1cc(CSCC2CCC3(CC2)OCCO3)c([N+](=O)[O-])cc1OCC(F)F 792657150 STHRJJSFBJJFHG-UHFFFAOYSA-N 433.473 4.414 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1nc2ccccc2s1 792985491 PVEHVJCRMJQSTQ-LBPRGKRZSA-N 426.498 4.318 5 20 IIBD C[C@@H]1CN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 793704561 RMEXUSXZIAAVLQ-KUHUBIRLSA-N 447.417 4.292 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSCc1c(F)cc([N+](=O)[O-])cc1F 795369112 XXLLYRMJBPSCHP-UHFFFAOYSA-N 425.369 4.013 5 20 IIBD C[C@H](OC(=O)[C@@H](C)[C@H]1OCCc2sccc21)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 796485032 AWAZTBMASXOFTH-PSVSLLHZSA-N 438.889 4.130 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C)[C@@H](O)c2c(Cl)cccc2Cl)c1 798334190 QPJBNMOFINKIHY-HXPMCKFVSA-N 427.284 4.217 5 20 IIBD C[C@H](C(=O)O[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 798785883 XSLJYIHPSVGYAR-WDEREUQCSA-N 428.338 4.427 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)c1=S 799157060 NYZXCAFIBRPXGI-KCUHQSDYSA-N 445.589 4.228 5 20 IIBD O=C(Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1)c1cn2c(n1)CCCC2 799297743 ZRCHQGGPBQLODO-UHFFFAOYSA-N 431.404 4.120 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Br)N1CCOC[C@@H]1c1nc2ccccc2s1 800235252 IDJRCKUPPYFAET-OAHLLOKOSA-N 448.298 4.181 5 20 IIBD COc1cccc(Nc2nn(CN(C)CCc3cccc([N+](=O)[O-])c3)c(=S)s2)c1 800865774 JTAUSGZJOXWOGD-UHFFFAOYSA-N 431.543 4.466 5 20 IIBD CC(C)(C)OC(=O)NC[C@]1(C)CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 801037014 NRZWBFZCDWTXJX-IBGZPJMESA-N 443.953 4.104 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC1 804178098 CZSJXNFRSJKKIA-UHFFFAOYSA-N 426.473 4.054 5 20 IIBD O=C(CN[C@@H](c1ccccc1)[C@H](O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl 808788938 ZDXMKOHEOZVMFJ-FCHUYYIVSA-N 425.872 4.251 5 20 IIBD COCc1ccc([C@H]2CCCN2S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1 809832732 SDWOKHGLMLUSFP-CYBMUJFWSA-N 435.285 4.167 5 20 IIBD COc1ccc(NC(=O)N2CCC([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1[N+](=O)[O-] 810203818 SJSDKWOVQKKLKO-INIZCTEOSA-N 448.520 4.104 5 20 IIBD CC[C@@H](NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 810346137 DRSOZGPVSFTDEX-CQSZACIVSA-N 440.681 4.217 5 20 IIBD Cc1cc(C(=O)COC(=O)CSc2ccccc2[N+](=O)[O-])c(C)n1Cc1ccco1 819013389 AUARIZFLPWJQOI-UHFFFAOYSA-N 428.466 4.173 5 20 IIBD COc1cc([C@@H]2NC(=O)c3cc(F)c(F)cc3N2)c([N+](=O)[O-])cc1OCc1ccccc1 877858049 BMLCKKPWDXWKRO-NRFANRHFSA-N 441.390 4.315 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2cnn(-c3ccccc3)c2C(C)C)cccc1[N+](=O)[O-] 913379338 IPYXCJYECPYGAQ-INIZCTEOSA-N 436.468 4.396 5 20 IIBD COc1ccccc1CN(Cc1cccs1)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 915661012 WSKMUPNYLKGIBU-UHFFFAOYSA-N 440.477 4.085 5 20 IIBD COc1cc(C2SCCS2)ccc1OC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 915828225 RKIWMPYFXLIYPZ-UHFFFAOYSA-N 443.506 4.487 5 20 IIBD C[C@@H](OC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(OC(F)F)cc1 916522811 NLCKQORCUUYVSY-VXGBXAGGSA-N 425.409 4.491 5 20 IIBD O=C(OCc1nc(O)c2ccc(C(F)(F)F)cc2n1)c1ccc([N+](=O)[O-])cc1Cl 916596629 HUHSFQPTDRLZAO-UHFFFAOYSA-N 427.722 4.273 5 20 IIBD C[C@@H](OC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1 917331189 NSPRIPWLZBTUAJ-SNVBAGLBSA-N 437.330 4.159 5 20 IIBD COc1cc(COC(=O)c2ccc(-n3ccc(C)n3)cc2)c([N+](=O)[O-])cc1OC(F)F 919180104 DBGAQPLVMMQMJF-UHFFFAOYSA-N 433.367 4.056 5 20 IIBD Cc1c(-c2ccccc2)oc2c(C(=O)OCCn3c([N+](=O)[O-])cnc3C)cccc2c1=O 920119718 VYCCDVZGMHAFHG-UHFFFAOYSA-N 433.420 4.039 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc(F)c(NC(=O)OC(C)(C)C)c1 1254590942 JQHMEHRIKRTCSR-UHFFFAOYSA-N 434.424 4.411 5 20 IIBD Cc1c(I)cccc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 1323622205 UYYCWLYVJZMBEA-UHFFFAOYSA-N 435.221 4.170 5 20 IIBD O=[N+]([O-])c1ccc(F)c(-c2nnc(-c3ccc(Cn4nnc(-c5ccccc5)n4)cc3)o2)c1 1327895969 VYGMDLFAQGXYMV-UHFFFAOYSA-N 443.398 4.153 5 20 IIBD O=C1Nc2ccccc2[C@@H]1C1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 1330123069 MNSDJDNQKBZPOS-KRWDZBQOSA-N 434.279 4.490 5 20 IIBD COc1cc(CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc(Cl)c1OC 1337784621 DLUPCUMFFDBVSR-UHFFFAOYSA-N 447.919 4.432 5 20 IIBD CC(C)n1ncc2c1[C@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])CCC2 1342635835 JTDIYUAKKFLTJS-OAHLLOKOSA-N 426.395 4.121 5 20 IIBD O=C(NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 1344082096 OQEOROKPJWLJMR-FRIKZZABSA-N 434.540 4.485 5 20 IIBD COc1ccc(NC(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)c([N+](=O)[O-])c1 1520293591 NMTPJSXQWONGFE-UHFFFAOYSA-N 438.415 4.317 5 20 IIBD CCc1ncccc1C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1 1785748546 TUTZAFOIGGPGOH-UHFFFAOYSA-N 434.452 4.207 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3F)CCC2)cc1)c1ccns1 1787205011 OEIBCPYJGJLMJN-UHFFFAOYSA-N 440.456 4.252 5 20 IIBD O=C(Cc1cc([N+](=O)[O-])ccc1F)NC1(c2ccc(NC(=O)c3ccncc3)cc2)CCC1 1787306172 DJWHEXUYYMYDOB-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)NC1(c2ccc(NC(=O)[C@H]3C[C@]3(F)Cl)cc2)CCC1 1791670720 PDQOCSVVMSJXQY-XMSQKQJNSA-N 445.878 4.196 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccccc1 1802211439 RNDXJKARVACEHT-VNPOFPLBSA-N 445.519 4.050 5 20 IIBD Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2ccoc2)cc(Cl)cc1[N+](=O)[O-] 1803181885 RDEYBQONTDVYEL-BCDXTJNWSA-N 445.903 4.034 5 20 IIBD CC(C)(C)CC(=O)N1CCC2(CCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)CC1 1806491455 GTWJXKCYQLMDTQ-UHFFFAOYSA-N 429.561 4.195 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1)c1ccc(Cl)s1 1816396884 UCULJCPAKKJRLH-NSHDSACASA-N 449.876 4.246 5 20 IIBD Cc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/C(C)C)n[nH]2)cc1[N+](=O)[O-] 1823086922 PCIUOSBMXOCAKN-QPGLYAHGSA-N 439.516 4.073 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 1824348235 JTRJRZGLBYJFQW-PXNSSMCTSA-N 445.560 4.273 5 20 IIBD CC(C)=CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)c([N+](=O)[O-])cn2)CC1 1827829339 FXDWIDPAFCLBJX-OAQYLSRUSA-N 442.560 4.278 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/C2CC2)CC1 1830729695 JZZYNLXXVQHSBO-TYOLEZHBSA-N 443.519 4.242 5 20 IIBD CC/C=C(\C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1832519583 LINUGOFUGYQFJP-FALBMNKOSA-N 431.508 4.324 5 20 IIBD Cc1c(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccsc3)C2)cc(Cl)cc1[N+](=O)[O-] 1842103392 WBHVWQJKYSLBKE-ONEGZZNKSA-N 445.928 4.149 5 20 IIBD C[C@@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 1847408424 JEKDMRQWUQXGCI-CWVNLOTRSA-N 445.878 4.006 5 20 IIBD COc1cc(C(=O)OCc2csc(-c3ccccn3)n2)c([N+](=O)[O-])cc1OC(F)F 10882257 IRLKOPDBQSMBLH-UHFFFAOYSA-N 437.380 4.080 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Nc2ccccc2)cc1OC 16099423 PHJAOFBXKAHGGS-UHFFFAOYSA-N 429.454 4.156 5 20 IIBD CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC(=O)Nc1c(Cl)cccc1Cl 16636164 ZGHDFFHFXDQFDR-UHFFFAOYSA-N 445.690 4.064 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 22605089 HMQPDWRPYUWHFI-DHZHZOJOSA-N 434.521 4.076 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)cc1 23418223 IXRMMLUFTYJPQB-SNVBAGLBSA-N 441.665 4.045 5 20 IIBD CCCn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nc2ccccc2c1=O 28383993 VXZGGTYZMCJDER-UHFFFAOYSA-N 432.889 4.099 5 20 IIBD COc1ccc(CSCC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)cc1[N+](=O)[O-] 31888300 SXYRSKHVFFYFJY-QFIPXVFZSA-N 446.525 4.121 5 20 IIBD O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 32477775 UATWEEFQWITNRX-OAQYLSRUSA-N 439.903 4.001 5 20 IIBD Cn1ccnc1[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 45842153 DCNLVZFNDDGDPT-HXUWFJFHSA-N 439.903 4.101 5 20 IIBD O=C(Nc1cccc(COc2cccc(F)c2)c1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc12 78777398 XCMOAIHVRXNSLT-UHFFFAOYSA-N 433.395 4.407 5 20 IIBD CC(C)Oc1cc(Br)ccc1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 108930336 CMUQINRDKKZVHE-UHFFFAOYSA-N 448.317 4.107 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NC[C@H](O)c1cc(Cl)cc(Cl)c1 301276827 JCBSIIZUQBYVQQ-AWEZNQCLSA-N 441.239 4.043 5 20 IIBD O=c1c(Cl)c(NCc2ccccc2N2CCCCC2)cnn1-c1ccc([N+](=O)[O-])cc1 302060813 RCSWBWIOYFQLGX-UHFFFAOYSA-N 439.903 4.397 5 20 IIBD CC(=O)c1ccc(N[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c([N+](=O)[O-])c1 302064660 TZZUUKVTUPNUHO-GOSISDBHSA-N 435.402 4.419 5 20 IIBD Cc1ccc(CN(CCc2ccccc2)C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)s1 303334931 CDDWGKPHWBJZIN-UHFFFAOYSA-N 447.520 4.431 5 20 IIBD CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 303495338 XAJUKQJYKGWKCB-UHFFFAOYSA-N 444.919 4.339 5 20 IIBD CC(C)(C)Oc1cccc(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 426238949 PTXYWAWEDDPXNS-UHFFFAOYSA-N 426.395 4.185 5 20 IIBD C[C@@H](O)[C@@](C)(CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Cc1ccccc1 426276129 HSXDOTGLEJWYBH-JLTOFOAXSA-N 439.434 4.043 5 20 IIBD COCc1ccc([C@H]2CCCN2C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)o1 426281795 DVLYCFNEQCLMEE-MRXNPFEDSA-N 427.379 4.400 5 20 IIBD CCOc1ccc([C@@H](C)NC[C@H](CO)Cc2ccccc2Br)cc1[N+](=O)[O-] 429420688 VZFLEWGIYXHKTM-HUUCEWRRSA-N 437.334 4.258 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CN1CCC(C(=O)Nc2cccc(Br)c2)CC1 430194515 JPYIVJOXCYSIRV-UHFFFAOYSA-N 448.317 4.217 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(CCc1ccccn1)Cc1cccnc1 431317892 ZRRSVUOWJMNOPQ-UHFFFAOYSA-N 430.386 4.289 5 20 IIBD COc1ccc(NC(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)cc1[N+](=O)[O-] 432434786 OACJLXWOQZAXOY-WAIKUNEKSA-N 449.467 4.239 5 20 IIBD Cc1noc(C)c1[C@H](C)CNc1ccc([N+](=O)[O-])c(NC[C@@H](C)c2c(C)noc2C)n1 433774348 NXQWQPUHYNDBLD-VXGBXAGGSA-N 428.493 4.631 5 20 IIBD CCN1CCN(c2ccc(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)c(C)c2)CC1 435821291 CDBYYANBCDFYBQ-UHFFFAOYSA-N 440.547 4.384 5 20 IIBD Cc1cc(C)n(-c2ccc(NC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)cn2)n1 436090899 MTZFYOQKZZFMLD-UHFFFAOYSA-N 445.429 4.409 5 20 IIBD COc1ccc(NC(=O)C(=O)Nc2cccc(CO[C@H]3CCC[C@H](C)C3)c2)cc1[N+](=O)[O-] 438729149 ZUAQRBHQHLFVBE-KXBFYZLASA-N 441.484 4.276 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 438965713 YSELLBDMHPTDLX-UHFFFAOYSA-N 434.290 4.158 5 20 IIBD Cc1c(CC(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)cccc1[N+](=O)[O-] 439174157 ZXWRAOAFAXXVET-UHFFFAOYSA-N 443.257 4.429 5 20 IIBD COC(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])c1 439253505 BEXBXUOJSGSVCN-UHFFFAOYSA-N 446.463 4.296 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1nc(COC)sc1-c1ccccc1 441142220 CHYDROLJTBQRIZ-UHFFFAOYSA-N 427.482 4.193 5 20 IIBD Cc1csc(-c2cccc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)c2)n1 443406996 OAVJZWBYZVVLNF-UHFFFAOYSA-N 441.437 4.429 5 20 IIBD CCO[C@H]1C[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C12CCCC2 444117829 UJDGUQGTCSUPCH-UXHICEINSA-N 426.463 4.427 5 20 IIBD C[C@H](c1ccsc1)N1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC1 444318659 QLENYZLGBMISQM-OAHLLOKOSA-N 435.524 4.401 5 20 IIBD CC[C@H](Cc1ccccc1Br)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444630305 GJNJZADVEPCZCD-GFCCVEGCSA-N 431.290 4.119 5 20 IIBD COc1cccc([C@H]2[C@H](c3nc(Cc4ccc([N+](=O)[O-])c(C)c4)no3)CC(=O)N2C2CC2)c1 445238389 WNNJCFDKALLLDC-XXBNENTESA-N 448.479 4.105 5 20 IIBD CCOc1cc(-c2noc(-c3ccn(-c4ccccc4[N+](=O)[O-])n3)n2)cc(Cl)c1O 445421666 ZGXBILGXTGLZDH-UHFFFAOYSA-N 427.804 4.255 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(CCCSc3ccc(Br)cc3)n2)n1C 445619881 KTMLPBDUKWZIOB-UHFFFAOYSA-N 438.307 4.174 5 20 IIBD CC(C)n1c(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)nc2ccccc21 446309005 CPRFKEJNNNZIIJ-UHFFFAOYSA-N 445.317 4.189 5 20 IIBD COc1cc(CCC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)ccc1OCC(F)(F)F 446437140 CQVCOYRKBLEREU-UHFFFAOYSA-N 438.402 4.062 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3F)nc2)c2ncccc12 447282433 YTPYGRIJTYDELP-UHFFFAOYSA-N 440.412 4.270 5 20 IIBD COc1ccc([C@H](CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)N2CCCCC2)cc1 447517169 RIQPZTUQXCBPHR-FSSWDIPSSA-N 427.549 4.100 5 20 IIBD COc1cccc(-c2nnc(N3CCc4ccc([N+](=O)[O-])cc4C3)n2CC(C)C)c1OC 460910365 YPMSVXWWPCJRKM-UHFFFAOYSA-N 437.500 4.089 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CC[C@H](CN3CCCCC3)C2)cc1[N+](=O)[O-])c1ccccn1 461439167 PGBGZGGGLCVQGH-RTBURBONSA-N 437.544 4.111 5 20 IIBD CCOc1ccc([C@@H](C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1OC 462436945 MLBRFJIJXSLCBW-SNVBAGLBSA-N 449.312 4.348 5 20 IIBD COC(=O)[C@H](CC(F)(F)F)NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 463095843 QZCZIHJMFOGQBY-ZDUSSCGKSA-N 446.765 4.264 5 20 IIBD C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 464229333 RAQFKAYIWZZUON-AUUYWEPGSA-N 427.432 4.032 5 20 IIBD C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464782181 VPSJHRZEZWSHBZ-CQSZACIVSA-N 437.418 4.484 5 20 IIBD COc1ccc(CC[C@@H](C)NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 465805526 CJLGAAZOWCOSOJ-QGZVFWFLSA-N 427.501 4.178 5 20 IIBD COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c1)CCO2 466508359 FIYPJQQOGVNYQX-QRWLVFNGSA-N 448.479 4.425 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CCC(Oc2ccc(F)cc2F)CC1 467217399 LNFMZSUALAPDMF-UHFFFAOYSA-N 425.819 4.279 5 20 IIBD CC(C)OC(=O)C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 468140848 VVYADMGJTJVTGP-IBGZPJMESA-N 439.512 4.401 5 20 IIBD CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)c1cccc([N+](=O)[O-])c1N 468698666 BCMGCNBWMLIQPU-UHFFFAOYSA-N 426.448 4.456 5 20 IIBD C[C@H]1CN(c2cccc3cnccc23)CCN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 470428671 NGVKINBDTGKJGP-INIZCTEOSA-N 427.464 4.042 5 20 IIBD O=C(N[C@H]1CCCC[C@@H]1n1cccn1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 470679468 ALPUWYMDHSBUCU-RDJZCZTQSA-N 449.298 4.198 5 20 IIBD CC[C@@H](Cc1ccccc1Br)NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 470756652 RJHGWCBOZVIYRX-ZDUSSCGKSA-N 444.285 4.362 5 20 IIBD CCOC(=O)[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cccc(C)c1C 472106419 QRNNZUAKSDWJDJ-KRWDZBQOSA-N 435.274 4.008 5 20 IIBD COc1ccc(-n2c(SCc3c([N+](=O)[O-])ncn3C)nnc2-c2cccc(C)c2)cc1 476470924 KTFPKKSUUVXNJN-UHFFFAOYSA-N 436.497 4.185 5 20 IIBD Cc1nc2ccccc2n1C1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 477352845 RJBPZYUMLGMHSP-UHFFFAOYSA-N 443.301 4.493 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1 478323817 ADKAFDRUFBLEKY-UHFFFAOYSA-N 448.410 4.139 5 20 IIBD Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)cc2)n1 478531366 SKTGKZNHZBUQCX-LJQANCHMSA-N 447.539 4.491 5 20 IIBD C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(Cc2nc(-c3ccccc3Cl)cs2)C1=O 478932626 FKSILYIGTJSEEU-FQEVSTJZSA-N 442.884 4.339 5 20 IIBD Cc1cc(F)c(Br)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 479119945 SZJAYBLNEYREMC-UHFFFAOYSA-N 440.250 4.154 5 20 IIBD Cc1cc(CSc2ncccc2C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])no1 479451779 WOQMHCWZGHRXBU-UHFFFAOYSA-N 432.889 4.204 5 20 IIBD Cc1ccc(-c2cnc(CN3CCCN(c4nc5ccc([N+](=O)[O-])cc5[nH]4)CC3)o2)cc1 481179759 JCFLHJIUPFQJLG-UHFFFAOYSA-N 432.484 4.147 5 20 IIBD CC[C@@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 481644038 LJNCSLSAWQXXLB-CXAGYDPISA-N 425.938 4.267 5 20 IIBD CS(=O)(=O)c1cccc(OCCOc2ccc(Cc3ccccc3)cc2[N+](=O)[O-])c1 481950085 CSMWWNBVICAMGG-UHFFFAOYSA-N 427.478 4.047 5 20 IIBD Cc1ccc([C@H](C)NCc2cccc(OCCN(C)C3CCOCC3)c2)cc1[N+](=O)[O-] 482233447 XWQORXTUNUQZDT-IBGZPJMESA-N 427.545 4.244 5 20 IIBD COC(=O)c1csc(-c2cccc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3C)c2)n1 484765590 LNYYAMIXWZHQSL-UHFFFAOYSA-N 426.454 4.135 5 20 IIBD COCCCOc1cc(C)ccc1CNC(=O)c1sc(Br)cc1[N+](=O)[O-] 486185237 KCCIIUGAULCLBS-UHFFFAOYSA-N 443.319 4.073 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 486360177 UHJIFYOYQDMRNZ-NSHDSACASA-N 431.246 4.207 5 20 IIBD CCNc1ccc(C(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)cc1[N+](=O)[O-] 486458942 UGPKVRVJQOSGBJ-HOYKHHGWSA-N 447.495 4.271 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1ccccc1)[C@H](C)c1cccs1 487033463 RZWCJVINMNCSFX-OAHLLOKOSA-N 439.493 4.393 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H](c1cccc(F)c1)c1ccccn1 488345828 LGIPJLKTKLHXSH-FQEVSTJZSA-N 428.851 4.414 5 20 IIBD CCc1cnccc1CNC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 490984880 AHMKBLHVFSBPFG-UHFFFAOYSA-N 435.505 4.435 5 20 IIBD CCCC(=O)Nc1ccc(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 494663975 XEPWMKLHRVZJPK-UHFFFAOYSA-N 438.406 4.352 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1nc(-c2ccccc2)cs1 497860907 UDZFCKFZMAJLGH-CYBMUJFWSA-N 429.523 4.294 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(Cl)ccc1C(F)(F)F 499057536 QRMUDPBIHXTMKY-UHFFFAOYSA-N 443.809 4.345 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc(OC)c(Oc2ccc(C)nn2)c1 499208625 PHWZNDVYRCNKIH-UHFFFAOYSA-N 425.401 4.147 5 20 IIBD COc1cccc(-n2nc(C)c([C@H]3COCCN3c3ncc(Cl)cc3[N+](=O)[O-])c2C)c1 500892098 PODSKTYCMURJIH-LJQANCHMSA-N 443.891 4.032 5 20 IIBD CCCC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(N2CCCC2)c1 505536023 LBWLANPUDRBCHY-JOCHJYFZSA-N 438.528 4.051 5 20 IIBD C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 506451583 CEXNEIPVKWRQLH-ZDUSSCGKSA-N 448.882 4.065 5 20 IIBD CCOC(=O)c1cnc(C)c(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 506511321 NUKUTBVJAVSUDQ-OAHLLOKOSA-N 449.467 4.295 5 20 IIBD CCOC(=O)c1cc(C(=O)N(CCc2ccccc2)Cc2ccncc2)cc([N+](=O)[O-])c1 507905464 BLBICTBSTZWYHA-UHFFFAOYSA-N 433.464 4.052 5 20 IIBD Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCNc2ccc([N+](=O)[O-])cc2)o1 512645356 FQQASMLMRVKNMD-UHFFFAOYSA-N 431.452 4.191 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN(CCCO)CC(F)(F)F)o2)c(Br)c1 513434374 IBAGGNFVAVAOKQ-UHFFFAOYSA-N 437.212 4.364 5 20 IIBD COc1cc(CCC(=O)N2CCCc3c2cccc3[N+](=O)[O-])ccc1OCC(F)(F)F 513839876 SKIIJYBOQGFDNM-UHFFFAOYSA-N 438.402 4.457 5 20 IIBD CC[C@@H]1CO[C@@H](C)CN1C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 517303452 QDHXDFUBFWCDBM-FXAWDEMLSA-N 434.496 4.016 5 20 IIBD O=C(NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1cc2ccccc2c2cccnc12 517932462 JLIDTMJQGWFIGY-QHCPKHFHSA-N 425.488 4.436 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H](O)COc3cccc(C(F)(F)F)c3)o2)cc1 518779435 QQUHHWGWKVRRCQ-KRWDZBQOSA-N 436.386 4.403 5 20 IIBD CSc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C)c(C)c2)cc1[N+](=O)[O-] 518833259 HZYPJBNUMYDKKL-KRWDZBQOSA-N 431.539 4.087 5 20 IIBD CCOC(=O)CCNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 519978389 BXAACSNQFFXAGC-SSZFMOIBSA-N 439.493 4.205 5 20 IIBD C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)c2)C1 520126848 IKGYRPBUZCRKRY-HTAPYJJXSA-N 439.512 4.449 5 20 IIBD Cc1ccc(SCC(F)(F)F)c(NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)c1 522944562 MUOBVZVFQICBNG-UHFFFAOYSA-N 448.444 4.213 5 20 IIBD CC(C)(C)[S@@](=O)Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 523837904 QEOLKTMMNYNIPJ-SANMLTNESA-N 430.935 4.096 5 20 IIBD Cc1cc(N2CCCC2)ccc1NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 523955396 MQEOTMVCLAVHOY-JOCHJYFZSA-N 436.512 4.055 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)NCCCOC[C@@H]3CCOC3)cc2[N+](=O)[O-])cc1 525377533 DNCNDIHXIBWXHY-KRWDZBQOSA-N 430.526 4.227 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1 525837576 AZILMZAFMVHZCT-IEBWSBKVSA-N 442.459 4.313 5 20 IIBD O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCCCC[C@H]1c1ccc(C(F)(F)F)cc1 530431536 QDSBSGPVTZQDAC-HNNXBMFYSA-N 429.420 4.315 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)c1ccc(NC(=O)N(CC)CC)cc1 532148286 XJEHFWKEOHYCHH-OAHLLOKOSA-N 448.545 4.070 5 20 IIBD COc1ccccc1N(C(C)=O)c1nc(CN(C)Cc2ccccc2[N+](=O)[O-])cs1 533774705 CCQBLPNITAKVLX-UHFFFAOYSA-N 426.498 4.377 5 20 IIBD CN1CC[C@@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@H]1c1ccc(Cl)c(F)c1 534975709 ITTXWZAHHGNOHX-LHSJRXKWSA-N 432.883 4.377 5 20 IIBD O=C(COc1cccc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c1)Nc1ccccc1 536484522 FSMBWPWNQUPOEI-UHFFFAOYSA-N 430.420 4.346 5 20 IIBD Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 536681634 ZXXMGRJODXZQBW-LJQANCHMSA-N 440.935 4.191 5 20 IIBD CC[C@@H](C)NS(=O)(=O)Cc1cccc(N[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 537524576 ITMPVPMXOZMNRW-IIBYNOLFSA-N 431.558 4.246 5 20 IIBD COc1ccc([C@@H](OC)[C@H](C)NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 539029916 HCPZOGYGEWQFEL-GTNSWQLSSA-N 425.388 4.103 5 20 IIBD COc1ccc(OC)c(-c2csc(NC(=O)CN[C@H](C)c3cccc([N+](=O)[O-])c3)n2)c1 540378843 KQEJTXQGHQDUCJ-CYBMUJFWSA-N 442.497 4.025 5 20 IIBD Cn1ccnc1[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1F 541265179 DZDRPABXDRFIMV-GOSISDBHSA-N 434.880 4.119 5 20 IIBD Cc1c(C(=O)N2CCN(c3ncnc4cccc([N+](=O)[O-])c34)CC2)sc2ccccc12 541576365 HMZDFVBDUZHOPN-UHFFFAOYSA-N 433.493 4.024 5 20 IIBD C[C@@H](CN(C)C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1nccs1 542345277 BXHWCJSHXHSBMF-JTQLQIEISA-N 440.312 4.420 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 542528898 FKIVAJDVRZTZGH-KOLCDFICSA-N 447.845 4.302 5 20 IIBD COC(=O)[C@H](NCCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(Cl)cc1Cl 543191419 JDRMHXNIIGVBMI-GOSISDBHSA-N 440.283 4.043 5 20 IIBD CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F 543583657 ZDZMDUIOCUEALT-APWZRJJASA-N 429.492 4.056 5 20 IIBD CCCN(C(=O)c1ccccc1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C)C(C)C 543653109 ROPCTIDAUKLLPU-UHFFFAOYSA-N 433.530 4.273 5 20 IIBD C[C@H](C(=O)Nc1cc(F)ccc1NC(=O)c1ccccn1)c1ccc([N+](=O)[O-])cc1F 544435895 SIPSKLCDEZMPCH-LBPRGKRZSA-N 426.379 4.263 5 20 IIBD O=[N+]([O-])c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccc(Br)o2)cc1 544720918 FUJCRUXILVKHOK-UHFFFAOYSA-N 437.271 4.346 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(CSCc3cscn3)n2)c(Br)c1 545007284 OEXOBNSMRZRQSE-UHFFFAOYSA-N 427.305 4.221 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(Cc3nnc4n3CCCCC4)no2)ccc1Nc1ccccc1 546266107 ZDKNUCSXBDOILE-UHFFFAOYSA-N 431.456 4.297 5 20 IIBD C[C@H](c1ccccc1F)N1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2Br)C1=O 549198239 FQRZOGUDZYMZNS-BZNIZROVSA-N 437.269 4.056 5 20 IIBD O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 549519210 WVQQQPDKGWFWSM-UHFFFAOYSA-N 436.390 4.040 5 20 IIBD Cn1ccnc1[C@@H](NCc1cccc(NC(=O)C2CCCC2)c1)c1cccc([N+](=O)[O-])c1 552037841 SCFIVLHVOPOCEZ-QFIPXVFZSA-N 433.512 4.336 5 20 IIBD Cn1ccnc1[C@@H](NC1CCN(Cc2ccc(Cl)cc2)CC1)c1cccc([N+](=O)[O-])c1 566577426 KBMSJKRLDMRUTP-QFIPXVFZSA-N 439.947 4.325 5 20 IIBD CCN(CC)[C@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ccsc1 566870676 FOIOUPAGLSDHSW-LJQANCHMSA-N 446.573 4.092 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1[N+](=O)[O-] 572653827 SFUGHJDPVQHQAV-UXHICEINSA-N 443.475 4.006 5 20 IIBD COC(=O)c1cc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc(Br)c1F 580507793 GAEZDLFBBCCNOK-VIFPVBQESA-N 425.210 4.025 5 20 IIBD COc1cc(C(=O)Nc2cccc3cc(Br)cnc23)c([N+](=O)[O-])cc1OC 581274830 MKRCTFYEWGYGGU-UHFFFAOYSA-N 432.230 4.175 5 20 IIBD CNc1c(C(=O)Nc2ccc3c(c2)N(C(=O)Cc2ccccc2)CC3)cccc1[N+](=O)[O-] 582864929 HGMOPYAFGRUVOJ-UHFFFAOYSA-N 430.464 4.021 5 20 IIBD O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCC[C@@](O)(C(F)(F)F)CC1 587998890 VTVNDUVKXSAANA-FQEVSTJZSA-N 437.418 4.126 5 20 IIBD Cc1c(C(=O)N[C@@H](C)c2ccc(Oc3cccnc3)cc2)nnn1-c1cccc([N+](=O)[O-])c1 588799147 YTGDCKDRFXPUMK-HNNXBMFYSA-N 444.451 4.162 5 20 IIBD COCCN(Cc1ccccc1)C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 603469473 SAOSKRQFIZKRTH-UHFFFAOYSA-N 428.432 4.381 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604276897 XWYLFYKMZHJCSQ-TXEJJXNPSA-N 427.345 4.295 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCC(=O)N(C)Cc3ccccc3)c([N+](=O)[O-])c2)cc1 608972834 PHORVZAJHABZIG-UHFFFAOYSA-N 432.480 4.226 5 20 IIBD Cc1ccc(Sc2ccc(CNc3cnn(CC(=O)NC4CC4)c3)cc2[N+](=O)[O-])cc1 608982681 GOQRPGHBQAWBDB-UHFFFAOYSA-N 437.525 4.142 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H](N3CCCCC3)C2)cc1 609348201 OBIJAMGQSLLKQF-GOSISDBHSA-N 425.485 4.096 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc(-c4ccsc4)no3)cc2)cc1[N+](=O)[O-] 609474074 ISZQFJUKRIZRLK-UHFFFAOYSA-N 442.478 4.483 5 20 IIBD CCCOc1cc(NC(=O)C(=O)N2C3CCCC2CCC3)c([N+](=O)[O-])cc1OCCC 610382577 XRAWQEITCMLFQB-UHFFFAOYSA-N 433.505 4.045 5 20 IIBD COC(=O)COc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)c1 611202094 OCTMDWADADLCTP-UHFFFAOYSA-N 430.482 4.434 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC4(CCCCC4)CC3)n2C[C@H]2CCOC2)c1 619856941 JEFTUOJNXCAWDA-GOSISDBHSA-N 425.533 4.441 5 20 IIBD O=C(COC(=O)CCc1ccccc1OC(F)(F)F)Nc1cc([N+](=O)[O-])ccc1Cl 727554874 SAKXARYZJFDMGL-UHFFFAOYSA-N 446.765 4.261 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)cc1SC 728649642 OIHWMBJUNGYDMG-UONOGXRCSA-N 444.509 4.239 5 20 IIBD COCCSc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 728878969 DNTRUJZZUYPUJN-MRXNPFEDSA-N 429.542 4.425 5 20 IIBD C[C@@H](NC(=O)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 729596514 IZGBHPZSGUEDFE-PIGZYNQJSA-N 431.798 4.059 5 20 IIBD Cc1c(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cnn1-c1cccc(C(F)(F)F)c1 731697585 HPFLXUHJHUYWSX-UHFFFAOYSA-N 433.342 4.147 5 20 IIBD CCc1nc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)nn1-c1c(Cl)cccc1Cl 731719801 OXMHKPRHRSVJDU-UHFFFAOYSA-N 449.250 4.084 5 20 IIBD C[C@H](OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1nc2ccc(Cl)cc2[nH]1 732517104 GMIVLZAGLFIFMC-IINYFYTJSA-N 448.888 4.095 5 20 IIBD COc1c([N+](=O)[O-])cc(N[C@H](C)c2cnn(C(C)C)c2)c([N+](=O)[O-])c1Br 733190190 ABTFWYVQVMSNHW-SECBINFHSA-N 428.243 4.225 5 20 IIBD Cc1ccc(-c2noc([C@H](C)N3CCN(Cc4cc([N+](=O)[O-])ccc4Cl)CC3)n2)cc1 735491531 LEDCTSTZLLQIAE-INIZCTEOSA-N 441.919 4.485 5 20 IIBD COCc1c(C(=O)OC2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)oc2ccccc12 739379577 HHMJTVHSHBVNKK-UHFFFAOYSA-N 440.452 4.322 5 20 IIBD COc1cc(N2CCC(OC(=O)Cc3c[nH]c4cc(Cl)ccc34)CC2)ccc1[N+](=O)[O-] 739382609 ZSKCAJCWBDJVTK-UHFFFAOYSA-N 443.887 4.493 5 20 IIBD C[C@@H](c1ccc(Br)cc1)N1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 741869713 LJMJHMYEVSPFJX-AWEZNQCLSA-N 449.374 4.433 5 20 IIBD C[C@H](OC(=O)c1ccc2ncccc2c1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 743217506 KSKIVFIBRHBUQA-ZDUSSCGKSA-N 448.460 4.451 5 20 IIBD COc1ccc(C2=N/C(=C\c3cc(Cl)ccc3Br)C(=O)O2)cc1[N+](=O)[O-] 743280168 CUYKOJYLEYNYHI-QPEQYQDCSA-N 437.633 4.364 5 20 IIBD Cc1ccc(CNC(=O)c2ccccc2NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1 743622502 PMOCBBHJNBJHQM-UHFFFAOYSA-N 442.475 4.427 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2ccncc2Cl)c2ccccc2)c([N+](=O)[O-])c1 745770883 BKEZGKMRLACWRA-LJQANCHMSA-N 425.828 4.488 5 20 IIBD Cc1ccccc1-c1noc([C@H](C)OC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)n1 746073958 WLZOZCVLGUTQPE-ZDUSSCGKSA-N 426.385 4.396 5 20 IIBD CC(C)c1nnc(CCC(=O)Oc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)o1 747108627 INYWPUSTCSAXSO-UHFFFAOYSA-N 449.419 4.413 5 20 IIBD C[C@H](OC(=O)c1cnn(-c2ccccc2Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 747507442 FBPVPMFARNJLEB-NSHDSACASA-N 449.250 4.271 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1/C=C1\NC(=S)N(c2ccccc2C(F)(F)F)C1=O 748793322 CNYIMMZVMKGNEB-UVTDQMKNSA-N 437.399 4.275 5 20 IIBD Cc1c(C(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 749520796 HCWRYOWFYPTIKH-UHFFFAOYSA-N 426.360 4.068 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)O[C@H]1CCN(c2cccc(Cl)c2)C1=O 750326105 ZPRGONVUHIDDNG-QFIPXVFZSA-N 446.890 4.157 5 20 IIBD O=C(COc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1cc2c(cc1Cl)OCCCO2 752910046 UQJVWHRLUBNIJP-UHFFFAOYSA-N 431.203 4.220 5 20 IIBD Cc1ccc(N2CCOC2=O)cc1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 753183016 KXJPYSZULLBUGP-UHFFFAOYSA-N 434.246 4.183 5 20 IIBD C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 755024004 CVIUQYGQIXQXPG-QLJPJBMISA-N 426.242 4.130 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3cccc(OC(C)C)n3)CC2)ccc1[N+](=O)[O-] 755089254 UWYSMUTYPPUAOI-UHFFFAOYSA-N 429.473 4.002 5 20 IIBD CCOc1cc(C(=O)O[C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC 755864580 DPLKAHBLZGRXAB-FUHWJXTLSA-N 428.485 4.070 5 20 IIBD C[C@H](OC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 756768641 PDIYJIQHXMLMOR-ZDUSSCGKSA-N 437.452 4.489 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1CS(=O)(=O)c1ccccc1 756993720 XZLWDPZEXKWEEY-UHFFFAOYSA-N 444.896 4.152 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cccc(S(=O)(=O)Cc2ccccc2)c1 756994089 OJNFFBQMPQQVGV-UHFFFAOYSA-N 444.896 4.152 5 20 IIBD O=C(CCn1cc([N+](=O)[O-])cn1)O[C@H](c1cccc(F)c1)c1cccc(Br)c1 758073579 AICPYIDFECOLOJ-IBGZPJMESA-N 448.248 4.416 5 20 IIBD CC(C)[C@H]1CCCN1c1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1F 760424606 NPKQOQJGFKHTRV-QGZVFWFLSA-N 429.448 4.382 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC[C@@H](O)c1cccc(OCc2ccccc2)c1 760490593 DNSMBIFANJKGPS-HSZRJFAPSA-N 449.463 4.276 5 20 IIBD CCN(CC)CCCC1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)CC1 760866218 INVQJCJLRNEQEQ-UHFFFAOYSA-N 426.355 4.332 5 20 IIBD O=C(Nc1ccc(Cl)cc1I)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 760938024 CYJLEQVDVZGDEP-UHFFFAOYSA-N 447.572 4.013 5 20 IIBD COc1cc(C(=O)Oc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)c([N+](=O)[O-])cc1OC 767065571 XXZFMXHJIVNOOU-ZDUSSCGKSA-N 446.456 4.417 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1cccnc1 768406176 DSKYUNKNWXZXRH-LLVKDONJSA-N 432.893 4.041 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)C 769694243 NNURMRKEZWNZAN-LJQANCHMSA-N 442.903 4.360 5 20 IIBD CSc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(Br)cc([N+](=O)[O-])c1 770157263 RWXKPACTWTZNCM-SNVBAGLBSA-N 439.287 4.263 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccnc1-n1ccnc1C 777366780 ICBDNRWQTAROTD-UHFFFAOYSA-N 425.514 4.306 5 20 IIBD Cc1ccc2c(c1)SCCCN2S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 777695678 SRJZBEUZUHNYHN-UHFFFAOYSA-N 443.344 4.357 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C1CCN(C(=O)OCC)CC1 778070139 HTSWERJUDXKYQE-OAHLLOKOSA-N 437.562 4.474 5 20 IIBD O=C(Cc1csc(-c2ccccc2)n1)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 778811313 QZPVQOXCINJBBR-QGZVFWFLSA-N 427.457 4.222 5 20 IIBD COc1cc(COC(=O)[C@@H]2CCCc3sccc32)c([N+](=O)[O-])cc1OCC(F)F 780074873 LLYKQZWJBULIPK-CYBMUJFWSA-N 427.425 4.472 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(Br)c1Cl 780130791 GAOLPPPAWUSRAE-UHFFFAOYSA-N 428.622 4.234 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(C)(NC(=O)OC(C)(C)C)CC1 781975469 XYGBJVPWLFOIPZ-AWEZNQCLSA-N 431.493 4.085 5 20 IIBD Cc1cc(F)cc(C(=O)OCC(=O)N(C)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 784052708 AAWUVIYPGACZAT-UHFFFAOYSA-N 436.439 4.447 5 20 IIBD C[C@@H](OC(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)C(=O)N1CCNC1=O 785639265 IAIBUBKQTLGEMA-OAHLLOKOSA-N 442.471 4.030 5 20 IIBD CCCc1[nH]nc(C(=O)N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)c1[N+](=O)[O-] 787670130 MEEILUSTFRNMLT-UHFFFAOYSA-N 434.496 4.061 5 20 IIBD O=C(c1cc2ccccc2s1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 788857968 XJAPQWBUHMTCSV-UHFFFAOYSA-N 429.885 4.061 5 20 IIBD Cc1cnc(COC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)c(C)c1[N+](=O)[O-] 789444086 HWYRACBEUSPYTD-UHFFFAOYSA-N 435.465 4.273 5 20 IIBD CC(C)(NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 789693969 BWTCGRFSHBFXGF-UHFFFAOYSA-N 441.362 4.386 5 20 IIBD CSc1cccc(NC(=O)[C@H](C)OC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c1 790744692 WOXCTJVZIUFOHU-JTQLQIEISA-N 426.853 4.222 5 20 IIBD CC(C)CC(=O)Nc1ccc(C(=O)COC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc1 796445616 MYZCKSIFZMWJDD-UHFFFAOYSA-N 426.469 4.283 5 20 IIBD COc1cc([N+](=O)[O-])ccc1COC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 797474355 CZVDRMDPHRJYAW-FQEVSTJZSA-N 438.402 4.101 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C[C@@H](O)c1ccc(OCc2ccccc2)cc1 801567961 OJWZZZRODXQVOL-XMMPIXPASA-N 434.492 4.298 5 20 IIBD COc1cc(/C=C(\C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)c2ccccc2)ccc1O 802904834 JGDIAKZGVHCRHN-BOPFTXTBSA-N 430.420 4.365 5 20 IIBD CCOc1ccc(C(=O)NC[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] 808469655 UOYQLSFMHHJGBW-WKILWMFISA-N 435.521 4.054 5 20 IIBD CCN(C)C(=O)CSc1ccc([C@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2OC)cc1 809075921 OWNWULNOMWCVPY-AWEZNQCLSA-N 432.498 4.092 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2cnc3onc(-c4ccccc4)c3c2)cc1Cl 810044206 OCZUMLGHOLHBKQ-UHFFFAOYSA-N 431.813 4.219 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C)c2ccc(N3CCCCC3=O)cc2)c1 811005240 OEDQHQVNASGZOH-KRWDZBQOSA-N 425.485 4.066 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(N2CCCNC2=O)cc1 812567245 CDTXHADJKDPIIB-LBPRGKRZSA-N 436.390 4.024 5 20 IIBD C[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccc(N2CCCNC2=O)cc1 812759483 ZYNHZFHCXITITG-INIZCTEOSA-N 440.503 4.092 5 20 IIBD CC(C)(CCc1noc(CCCCc2ccc(I)cc2)n1)[N+](=O)[O-] 812815509 NZXNWLSFKJPCTP-UHFFFAOYSA-N 443.285 4.228 5 20 IIBD CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 812829412 CMOZOOJFSABXNY-UHFFFAOYSA-N 432.210 4.281 5 20 IIBD CCc1ccc(C(=O)OC[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)cc1[N+](=O)[O-] 813155671 GEBAHYIVKFRIGP-OAHLLOKOSA-N 428.432 4.206 5 20 IIBD C[C@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)Nc1cc(Cl)ccc1F 856475649 AMEIULHQWKUNRB-ZDUSSCGKSA-N 449.866 4.174 5 20 IIBD COc1ccc(CSCC(=O)OCC(=O)c2c(C)[nH]c3ccccc23)cc1[N+](=O)[O-] 914915918 HRBVCXNVYKEYOZ-UHFFFAOYSA-N 428.466 4.052 5 20 IIBD CCC(=O)Nc1ccc(Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])cc1 917078676 HPXAKVOJNHGYJM-UHFFFAOYSA-N 446.529 4.252 5 20 IIBD COc1cc(COC(=O)c2c(C)nn(C(C)(C)C)c2C)c([N+](=O)[O-])cc1OC(F)F 917293338 VVEHKNQRWAXGQC-UHFFFAOYSA-N 427.404 4.130 5 20 IIBD Cc1ccc(/C(O)=C(/C(=S)N[C@@H](C)c2ccccc2)[n+]2cccc(O)c2)cc1[N+](=O)[O-] 917611398 CCQQGZOTYHUVJQ-INIZCTEOSA-O 436.513 4.458 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)c1ccc2ccccc2n1)c1cccc([N+](=O)[O-])c1 918637817 MALBUXPJRANEFL-IBGZPJMESA-N 433.464 4.385 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)c1cccc(OC(F)F)c1)c1cccc([N+](=O)[O-])c1 918639047 ZSGFYUVZXQPPAX-KRWDZBQOSA-N 448.422 4.438 5 20 IIBD O=C(OCCc1ccc([N+](=O)[O-])cc1)/C(=C\c1cccs1)n1nnnc1-c1ccccc1 918922993 CJUVULCDFHEUMH-HMMYKYKNSA-N 447.476 4.094 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H](C)Oc2ccc(C(C)C)c(C)c2)c([N+](=O)[O-])c1 919409094 VDSPGGLAXYFICT-HZPDHXFCSA-N 444.484 4.373 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(OCc2cnc(-c3ccccc3)s2)c([N+](=O)[O-])c1 1321405335 SNYDULUZEIYZDF-UHFFFAOYSA-N 447.538 4.328 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@H]1CCCc2c1cnn2Cc1ccccc1 1321452779 OMIFKNKURQROOY-IBGZPJMESA-N 442.878 4.368 5 20 IIBD CCCN1CCN(c2ccc(NC(=O)N3Cc4ccc([N+](=O)[O-])cc4C3)cc2Cl)CC1 1322124937 YSWBBTUBRIEIFK-UHFFFAOYSA-N 443.935 4.328 5 20 IIBD O=C(Nc1cnc(Br)c(Br)c1)N1Cc2ccc([N+](=O)[O-])cc2C1 1322509878 PIIHXBFRTMVVEE-UHFFFAOYSA-N 442.067 4.063 5 20 IIBD COc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])[nH]4)cc3)CCC2)s1 1790184290 AFNNAUIMRAUORV-UHFFFAOYSA-N 440.481 4.055 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1C1CC1 1804345629 GCEVOIZKKVNISB-DOAYCCPBSA-N 445.519 4.437 5 20 IIBD C/C=C/C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)[nH]n1 1821885835 WCZNVGZNMSWEOC-GBVBSETHSA-N 437.500 4.008 5 20 IIBD CC[C@H]1CC[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)[nH]n2)CC1 1822222713 OWKWYXKGTWNBHN-BFYDXBDKSA-N 443.504 4.433 5 20 IIBD Cc1cscc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823612778 STTXCSVRPIZQRR-QGZVFWFLSA-N 431.514 4.105 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCCCN2C(=O)c2ccsc2)CC1 1825791879 CHPHIPLRRJCRTA-OAQYLSRUSA-N 441.553 4.132 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CCCCN2C(=O)C2CCCC2)CC1 1826257599 DEWCCBORZWZRSR-GNNUASRNSA-N 439.556 4.418 5 20 IIBD Cc1c(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccccc2)C3)cc(Cl)cc1[N+](=O)[O-] 1845499065 ATIRJAZEPNODIA-CMDGGOBGSA-N 439.899 4.087 5 20 IIBD CC(=O)CCc1ccc2oc(C(=O)O[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])c(C)c2c1 8876525 GPWXIDICGMXIAA-OAHLLOKOSA-N 438.436 4.355 5 20 IIBD CCCCn1c(SCc2ccc([N+](=O)[O-])cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 10016658 DTZBRGSNYIDIMM-UHFFFAOYSA-N 448.570 4.287 5 20 IIBD Cc1nc2cc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])ccc2n1-c1ccccc1 10992634 BKASANFCTLSOMQ-HNNXBMFYSA-N 444.447 4.426 5 20 IIBD CCOC(=O)C1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 11150037 PDGCYLDRCSPRNV-UHFFFAOYSA-N 432.860 4.456 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1c(F)c(F)cc(F)c1F 15128307 NLBDULUBVYTBAD-UHFFFAOYSA-N 434.367 4.118 5 20 IIBD CC(C)CNC(=O)c1ccccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 22140242 GLDNETBXKHUMPK-UHFFFAOYSA-N 427.504 4.179 5 20 IIBD O=C(Cn1cnc([N+](=O)[O-])c1)N(Cc1ccc(F)cc1)c1nc(-c2ccccc2)cs1 26123655 GJXYODFJZGFBSG-UHFFFAOYSA-N 437.456 4.287 5 20 IIBD CCOc1cc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)c([N+](=O)[O-])cc1OC 26783184 FAZHEWIUGPNNTC-UHFFFAOYSA-N 442.468 4.316 5 20 IIBD CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 110321783 HVONYQBYOMMNTE-KRWDZBQOSA-N 435.933 4.271 5 20 IIBD CCc1cc(N2CCCN(C(=O)c3ccccc3F)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 301070739 GTNKWUIGZUAPRD-UHFFFAOYSA-N 449.486 4.106 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 302799058 DRZKDPXKHPACCW-KRWDZBQOSA-N 433.464 4.248 5 20 IIBD COc1cc(C(=O)NCCc2nc(-c3ccccc3)c(C)s2)c([N+](=O)[O-])cc1OC 409669051 SWISRCISVIZTCF-UHFFFAOYSA-N 427.482 4.016 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)n(C)n1)CCC(=O)Nc1ccccc1[N+](=O)[O-] 410034667 RJSTVRZWXHLALO-UHFFFAOYSA-N 439.491 4.028 5 20 IIBD Cc1ccc(S(=O)(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c(Br)c1 427788787 ZBMDKVMNDHIQJV-UHFFFAOYSA-N 425.304 4.019 5 20 IIBD COCCN(Cc1cc(Br)cs1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] 427795306 YUWRYGXFVFVIHM-UHFFFAOYSA-N 433.711 4.361 5 20 IIBD CC(C)(NC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 430561445 LQNZUFAGGPVGLH-UHFFFAOYSA-N 438.505 4.234 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@H](C)c3noc(Cc4ccccc4)n3)cc2[N+](=O)[O-])CC1 430586740 ZEBLPHAZKDZYLL-QGZVFWFLSA-N 449.511 4.296 5 20 IIBD CC(C)(NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 431417832 XGCZZALAHZSHBZ-UHFFFAOYSA-N 439.493 4.061 5 20 IIBD CCCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H](C)C(=O)Nc1ccccc1 432682202 YVSLFBKJNSXKNC-ZDUSSCGKSA-N 434.290 4.237 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(N3CCC(Nc4cccc(Br)c4)CC3)n2)cc1 432944061 QDCOVNUOZFIGNY-UHFFFAOYSA-N 444.289 4.488 5 20 IIBD CCOCc1ccc(NC(=O)[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(C)C)cc1 440442795 KOQRDFWMIRUSSX-IBGZPJMESA-N 433.892 4.178 5 20 IIBD O=C([C@@H]1CN(Cc2ccccc2)CCO1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 440615316 RCIIKXDWORVXFO-DEOSSOPVSA-N 431.492 4.029 5 20 IIBD CCc1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cnn1-c1ccc(C(F)(F)F)cc1 442256227 XHOWIAUTTFYWJR-UHFFFAOYSA-N 440.403 4.163 5 20 IIBD CC(C)CCSc1ccc(C(=O)N(C)c2ccccc2S(C)(=O)=O)cc1[N+](=O)[O-] 443985239 YCYYVUQOZXRDAH-UHFFFAOYSA-N 436.555 4.413 5 20 IIBD COc1cccc(N2CCC[C@H](NC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)C2)c1 444040954 VASAEOGAFCSNKG-INIZCTEOSA-N 445.494 4.228 5 20 IIBD O=C(NCCCNc1cccc(F)c1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444298980 ZXRIGQNGUVOWKP-UHFFFAOYSA-N 425.410 4.331 5 20 IIBD CC(C)CCSc1ccc(-c2nc(CC(=O)NCc3ccco3)no2)cc1[N+](=O)[O-] 445281115 OOOQJDQYDVSYPI-UHFFFAOYSA-N 430.486 4.235 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCO[C@H](c2ccccc2Cl)C1 446185259 UVACCAAMSQYESS-KRWDZBQOSA-N 439.693 4.153 5 20 IIBD CS(=O)(=O)c1ccc(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])cc1C(F)(F)F 447693532 MVSQAITXKJMWQG-UHFFFAOYSA-N 443.325 4.043 5 20 IIBD C[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C[C@]2(CCO[C@@H]2C)O1 447978201 PRVJTYGFSHINHH-MCFFVMPBSA-N 427.457 4.187 5 20 IIBD O=C(c1ccc(-c2cc(F)c(F)c(F)c2)cc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 461084405 IXBROKMUCGSVOK-MRXNPFEDSA-N 442.397 4.401 5 20 IIBD C[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CCN1C(=O)Cc1cccc(Cl)c1 462942372 KFJJEDHCVPEMJP-ZDUSSCGKSA-N 439.846 4.129 5 20 IIBD O=C(Nc1ccccc1)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 463529921 ZXJTYDMKXSQHSL-UHFFFAOYSA-N 448.460 4.196 5 20 IIBD CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 463673367 PSWNIZMQSVSRFR-UHFFFAOYSA-N 431.392 4.018 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCC(c1ccccc1)c1ccccc1 464002734 CTRIUYVJJMXVBU-UHFFFAOYSA-N 431.492 4.489 5 20 IIBD COc1ccc2c(c1)N(C(=O)c1ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c1)CCO2 464370424 ZLJSWGZCPSNQCL-HZPDHXFCSA-N 425.485 4.125 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 464716651 VXZKWFGXPXWPSF-GOSISDBHSA-N 446.301 4.049 5 20 IIBD C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 465034315 NBPYDUFQYXTXDX-NSHDSACASA-N 425.268 4.435 5 20 IIBD CC(C)(NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1nc(C(F)(F)F)cs1 465317629 OMUAECXPELBWDE-UHFFFAOYSA-N 438.225 4.498 5 20 IIBD O=C1c2ccccc2CCN1CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 466886754 GSLULKFDVYTZRV-UHFFFAOYSA-N 425.872 4.296 5 20 IIBD COC(=O)[C@@H](CC(F)F)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 468006838 VDSLOORLFBKZFI-CYBMUJFWSA-N 444.843 4.326 5 20 IIBD COc1cc(S(=O)(=O)Nc2cc(-c3ccccc3)nn2C(C)(C)C)ccc1[N+](=O)[O-] 469119985 WUZQUIMVFYWEIO-UHFFFAOYSA-N 430.486 4.023 5 20 IIBD CCCCc1oc2ccccc2c1CN(C)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 472565312 NRMPNFQSCOQTMZ-UHFFFAOYSA-N 427.432 4.420 5 20 IIBD O=C(CN1CCCC[C@@H]1c1ncc(-c2ccccc2)[nH]1)N1CCc2ccc([N+](=O)[O-])cc21 472609290 QFZBHABWKWYDOC-OAQYLSRUSA-N 431.496 4.101 5 20 IIBD C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 472617379 ISTCMSPQUXRYFA-GTNSWQLSSA-N 439.365 4.301 5 20 IIBD CC1CCN(c2ccc(C(=O)N(C)[C@@H](C)c3ccc([S@@](C)=O)cc3)cc2[N+](=O)[O-])CC1 473555654 VNUCITYLWSBNES-NMEJYPJZSA-N 443.569 4.402 5 20 IIBD COC(=O)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 477500686 FZTBXSBHCDIYRV-ABAIWWIYSA-N 441.267 4.090 5 20 IIBD CCOc1cc(Br)ccc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 478721346 SJSVDASJHWVKLQ-UHFFFAOYSA-N 431.246 4.194 5 20 IIBD CCn1c(S[C@H](C)C(=O)N(C)Cc2ccccc2C)nnc1-c1ccc([N+](=O)[O-])cc1 481333961 CIPVTHXJLPETKZ-MRXNPFEDSA-N 439.541 4.321 5 20 IIBD O=C(Nc1ccc(N2CCCC2=O)c(F)c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 483056984 AXOBYYOVAMGCBX-UHFFFAOYSA-N 441.337 4.054 5 20 IIBD O=[N+]([O-])c1cc2c(c(CSCc3nc(-c4cc(F)c(F)c(F)c4)no3)c1)OCOC2 486767628 ZKVBZVZEYIUNLC-UHFFFAOYSA-N 439.371 4.362 5 20 IIBD CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c1 486920292 MEIKNURDINHTDQ-SFHVURJKSA-N 447.875 4.019 5 20 IIBD C[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 487299408 OTGGGQAXERKKBO-SJLPKXTDSA-N 431.920 4.044 5 20 IIBD COc1ccc(CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])cc1OC1CCCC1 488015714 SJEGLTXPQQLEEJ-UHFFFAOYSA-N 425.485 4.429 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCCN(c2ccccc2)C1 489903206 YFZDUILBWLXKHX-IBGZPJMESA-N 429.542 4.074 5 20 IIBD CN(Cc1cc(Br)ccc1Cl)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] 491603852 GVOVHDSHGLSYBP-UHFFFAOYSA-N 439.740 4.112 5 20 IIBD COc1cc(C(=O)Nc2nc(-c3cccs3)ns2)c([N+](=O)[O-])cc1OC(F)F 497977420 SCQWRPBZNOEWGG-UHFFFAOYSA-N 428.398 4.037 5 20 IIBD CCC(C)(C)[C@@H]1CCc2nc(NC(=O)C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)sc2C1 498112056 PWUIRJXRDJQOBQ-DZGCQCFKSA-N 444.557 4.408 5 20 IIBD Cc1cccc(C)c1OC[C@H](C)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 500978851 RANKGAFDRSOVEX-AWEZNQCLSA-N 426.391 4.350 5 20 IIBD COc1cc(CCC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1OCC(F)(F)F 502507130 SBUYKJOTRKNSIW-ZDUSSCGKSA-N 426.391 4.355 5 20 IIBD O=C(c1cccc(Cl)c1)N1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 508037058 DXJUWIAOCDMIIZ-UHFFFAOYSA-N 443.912 4.451 5 20 IIBD COc1ccc(S(=O)(=O)N[C@@H]2CCOc3c(-c4ccccc4)cccc32)cc1[N+](=O)[O-] 509651618 IRRPEDHZSVRLSI-LJQANCHMSA-N 440.477 4.073 5 20 IIBD O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)c1 510460469 MSQMYQPZLAWGNK-QZTJIDSGSA-N 428.432 4.369 5 20 IIBD CC(C)CN(C(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)C1CCN(C)CC1 511029784 MEJXIQHWRHYKFT-OALUTQOASA-N 430.593 4.270 5 20 IIBD COC(=O)c1ccnc(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)c1 511793165 LRFLYTIKWWZQSJ-UHFFFAOYSA-N 440.843 4.294 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(Cc1ccc(Br)cc1)C(C)C 511876305 WAPGBWBNEHSAOR-UHFFFAOYSA-N 427.320 4.265 5 20 IIBD COc1ccc(CSCC(=O)N(C)Cc2csc(Br)c2)cc1[N+](=O)[O-] 512221090 WGIMGJBSBFZCMH-UHFFFAOYSA-N 445.360 4.319 5 20 IIBD Cc1noc(C)c1[C@@H](C)CC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 513809807 QFTRMVIBBNEURN-LBPRGKRZSA-N 440.422 4.061 5 20 IIBD COc1cc(C)ccc1Oc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cn1 515628578 GRVPWOFZDURMFO-UHFFFAOYSA-N 429.454 4.208 5 20 IIBD COc1cc([C@@H](C)NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OCCC(C)C 518119264 YHGPGSSYXUNTEE-MRXNPFEDSA-N 443.500 4.153 5 20 IIBD Cc1nc(NC(=O)c2cc([N+](=O)[O-])cn2C)sc1Cc1cccc(Br)c1 518310796 RRKJOPJTEUBIRJ-UHFFFAOYSA-N 435.303 4.304 5 20 IIBD CCc1c(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)nnn1Cc1ccc(F)cc1 518746006 DLFDTXSYQOJFPB-UHFFFAOYSA-N 425.464 4.486 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1C(F)(F)F 519160003 WVVBGDJFYQUUAG-KRWDZBQOSA-N 437.374 4.292 5 20 IIBD Cc1ccccc1NC(=O)Cc1nc(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)cs1 524182223 YEIWMCBATKBLOI-UHFFFAOYSA-N 433.493 4.453 5 20 IIBD COc1cc(C(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)c([N+](=O)[O-])cc1OC 524387451 FRKAUXUTFPOXNX-UHFFFAOYSA-N 426.469 4.132 5 20 IIBD COC(=O)c1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c(OCC(F)(F)F)c1 524413820 XMEQYRSFASUSIK-UHFFFAOYSA-N 437.330 4.056 5 20 IIBD O=C(Nc1cccnc1-c1ccc(Cl)s1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 527087958 AETSDWLPCQVMMU-UHFFFAOYSA-N 444.904 4.121 5 20 IIBD O=[N+]([O-])c1cnn(CCNCc2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)c1 533186809 DPBPTKFNXOLINM-UHFFFAOYSA-N 436.903 4.146 5 20 IIBD Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 534246728 GKDXZKPCXRSNDV-SFHVURJKSA-N 444.495 4.280 5 20 IIBD COc1cc(C(=O)N(C)C[C@@H]2CCC[C@H]2O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 534391644 WTXIPRVRORETNU-WMLDXEAASA-N 434.876 4.282 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2cccnc2-c2ccccc2)cc1[N+](=O)[O-] 535848297 OAXHHZKSYRDQMV-UHFFFAOYSA-N 432.465 4.189 5 20 IIBD CCC[C@H](NCc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 536879640 XJTMGQFMHGCCJE-IXFSTUDKSA-N 425.529 4.475 5 20 IIBD CCOc1ccccc1Oc1ccc(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cn1 537641710 ZCOZYJPROCODMK-UHFFFAOYSA-N 449.510 4.258 5 20 IIBD COc1cc(CNc2ccc(NC(=O)CN3CCCCCC3)cc2)c([N+](=O)[O-])cc1OC 537719446 BOWBLBYOGXOSKH-UHFFFAOYSA-N 442.516 4.039 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1CN1CCOCC1 539649772 UYXBFHLWECOSNL-UHFFFAOYSA-N 443.569 4.249 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(c2cc(CC)ncn2)C1 540722134 NGNAUBXERRJHHV-QGZVFWFLSA-N 443.573 4.238 5 20 IIBD Cc1ccc(C2=NN(C(=O)COc3nc(C)cc(C)c3[N+](=O)[O-])[C@@H](c3ccco3)C2)cc1 541055998 VZZGLULSIMVERX-LJQANCHMSA-N 434.452 4.265 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@@H](c2ccc(CC(C)C)cc2)C2CC2)cc1[N+](=O)[O-] 542067809 DLGZCJVCMVLKTO-NRFANRHFSA-N 425.485 4.008 5 20 IIBD CN(C(=O)c1ccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2O)cc1)c1ccccc1 542752272 MTNUGOWRNWOWBV-UHFFFAOYSA-N 425.828 4.483 5 20 IIBD Cc1c(NC(=O)CCN2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cccc1[N+](=O)[O-] 542948500 VMAZOURWIPGBEH-LJQANCHMSA-N 437.418 4.324 5 20 IIBD COC(=O)c1ccc(Oc2ncc([N+](=O)[O-])c(C)c2Br)c(Br)c1 544409626 HWSQAJHBWLUSDI-UHFFFAOYSA-N 446.051 4.402 5 20 IIBD O=C(NC1CC1)c1ccc(-c2noc(-c3csc(-c4ccc([N+](=O)[O-])cc4)n3)n2)cc1 547040732 KDGSHHJEGJKTNJ-UHFFFAOYSA-N 433.449 4.328 5 20 IIBD COc1ccc(CC(=O)N2CCc3c(Br)ccc(Cl)c3C2)cc1[N+](=O)[O-] 547334661 OLXSZWWQTDQEDX-UHFFFAOYSA-N 439.693 4.147 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2c(F)cc(Cl)cc2F)c1 547818546 MFFSHPPRSWVAII-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD Cc1c(NC(=O)[C@H](C)N[C@H](c2cncc(Br)c2)C2CC2)cccc1[N+](=O)[O-] 551426395 XREFKVGIEOZNRK-SGTLLEGYSA-N 433.306 4.129 5 20 IIBD COc1cccc(OC(F)(F)F)c1CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 552362519 ZPZJZKKIVBWXCV-NSHDSACASA-N 430.404 4.299 5 20 IIBD COc1ccc([C@H](C)NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c(C)c1OC 554080846 CNVMREJOKSSHJT-INIZCTEOSA-N 427.501 4.014 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c1 558802759 IACSQYQEYQBPDY-JLTOFOAXSA-N 435.883 4.209 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)ccc1[N+](=O)[O-] 572522739 PEAJRUMNWSXQMI-QFIPXVFZSA-N 446.463 4.334 5 20 IIBD Cc1ccc([C@H](C)NC(=O)Nc2cccc(F)c2Cn2cccc(C)c2=O)cc1[N+](=O)[O-] 577677930 BSWMXUBQBNRJEB-INIZCTEOSA-N 438.459 4.443 5 20 IIBD CC(=O)N1C[C@H]2[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)CCC[C@H]2C1 577916974 IUDSCDXTVMXDFM-WMQCIHAUSA-N 445.585 4.254 5 20 IIBD O=c1c2ccccc2[nH]c2ccc(-c3nc(-c4ccc(N5CCOCC5)c(F)c4)no3)cc12 581633529 VYNLPVXGDBFGGQ-UHFFFAOYSA-N 442.450 4.374 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H](C)c1ccccc1Br 589396765 PPTZMGNGJLMIMR-LBPRGKRZSA-N 434.290 4.078 5 20 IIBD COc1cc(CNc2ccc(F)c(NC(N)=O)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 590067864 MVYLUMGABZAMOY-UHFFFAOYSA-N 440.431 4.424 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)ccc1[N+](=O)[O-] 608811479 ZPOHUCZRKPIHQS-FQEVSTJZSA-N 449.511 4.320 5 20 IIBD COCCOc1ccc(F)cc1NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 608945830 DALSPSLCYULUOP-HZPDHXFCSA-N 445.491 4.494 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2F)cc1[N+](=O)[O-] 609062591 SCXIGUZWJAPGKL-UHFFFAOYSA-N 441.366 4.285 5 20 IIBD CC(C)(CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1c(Cl)cccc1Cl 609186231 FDXSFWSMWFRDBH-UHFFFAOYSA-N 434.283 4.190 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N[C@H]2CCSc3c(F)cccc32)c1 609418296 MHOQPAZYUQJFMI-AWEZNQCLSA-N 447.307 4.012 5 20 IIBD O=C(NCCCOc1cccc2cccnc12)c1csc(-c2cccc([N+](=O)[O-])c2)n1 609459738 UTEOLYMTNRVZOM-UHFFFAOYSA-N 434.477 4.465 5 20 IIBD CN(CCNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)C1CC1 609816825 LTALWXYZXQMKDP-UHFFFAOYSA-N 436.871 4.073 5 20 IIBD CC(C)N(C(C)C)S(=O)(=O)c1ccc(NCCCCc2ccc([N+](=O)[O-])cc2)nc1 610076487 JDLPNJXLHVXJRF-UHFFFAOYSA-N 434.562 4.232 5 20 IIBD C[C@H](O)CN(Cc1ccccc1)C(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 610163792 MCJRSQMMCLAPIZ-QRVBRYPASA-N 425.529 4.100 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 610184563 VWIIATLGKITINR-UHFFFAOYSA-N 445.273 4.057 5 20 IIBD C[C@H](c1ccccc1)n1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)n1 610746345 ZPUQNKVQKONWAV-CYBMUJFWSA-N 429.274 4.344 5 20 IIBD Cc1nnnn1-c1ccc(F)c(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)c1 611205630 BTCCSVLGEKWFRP-UHFFFAOYSA-N 442.476 4.305 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1 619467568 PMQZAOBTXFFHQD-UHFFFAOYSA-N 443.412 4.352 5 20 IIBD CC(C)(C)c1ccc([C@H](O)CCC(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 726873628 XITRDYSBHBYIPU-LJQANCHMSA-N 432.448 4.027 5 20 IIBD COc1ccc(CC(=O)OCc2cc(Br)ccc2OC(F)F)cc1[N+](=O)[O-] 727881855 JKHVRPZXODUKFU-UHFFFAOYSA-N 446.200 4.253 5 20 IIBD COCCn1c(C)c(C)c2cc(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)ccc21 728637047 HIJBITOOYATPGY-UHFFFAOYSA-N 440.452 4.036 5 20 IIBD Cc1cccc(C(=O)NC[C@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)c1[N+](=O)[O-] 728971910 LVAIGQAYSSKFFP-INIZCTEOSA-N 436.308 4.102 5 20 IIBD CCOC(=O)Nc1ccc2c(Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)cc(=O)oc2c1 729242163 QUZKDVGHGUVYIQ-UHFFFAOYSA-N 434.408 4.181 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1ccc(N(C)Cc2ccccc2)cc1 731611795 ATKJFAPJVHZDOQ-UHFFFAOYSA-N 449.463 4.070 5 20 IIBD C[C@@H](OC(=O)c1csc([N+](=O)[O-])c1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 732326337 CLXZEOHSGRPZQJ-MRVPVSSYSA-N 439.421 4.242 5 20 IIBD O=C(O[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1ccc(Cl)c([N+](=O)[O-])c1 733387582 BUFUPVFZCICLEW-HNNXBMFYSA-N 428.750 4.229 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@H]3CCCc4nc(C)ncc43)cc2[N+](=O)[O-])n1 734798575 RSMKSHOMCNEXEV-INIZCTEOSA-N 441.538 4.417 5 20 IIBD Cc1c(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 737680700 WTQPDPNPNAHESE-KXBFYZLASA-N 440.500 4.245 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](O)c1c(Cl)cccc1Cl 740941952 PKPKHWRRLRNINA-OTYXRUKQSA-N 433.675 4.172 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccccc1C(=O)NCc1ccccc1 743622001 JYWMWSBKJMKLAM-UHFFFAOYSA-N 428.448 4.118 5 20 IIBD CCO[C@@H]1C[C@H]1C(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 744284643 UNKFUOAVEQTPCA-CXAGYDPISA-N 439.251 4.484 5 20 IIBD CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1 744717665 ZMIODZOTPABTTM-UHFFFAOYSA-N 441.465 4.015 5 20 IIBD CC(C)CO[C@H](C)c1noc(COC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 744895528 TZTAUCNAHZROJS-GFCCVEGCSA-N 432.458 4.192 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cccc(-c3csc(C)n3)c2)c([N+](=O)[O-])c1 745676693 OQVLIRFHLIJVSJ-GFCCVEGCSA-N 441.465 4.219 5 20 IIBD Cc1ccc2nc(C3CC3)cc(C(=O)OCC(=O)N3CCc4cc([N+](=O)[O-])ccc43)c2c1 747052449 NSPZGHMLODVRQB-UHFFFAOYSA-N 431.448 4.075 5 20 IIBD C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 747319057 MZIJYRIFQUVKEP-CVEARBPZSA-N 431.920 4.349 5 20 IIBD Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)cc2)n1 748351650 SAHFAAZMHMTSBN-MRXNPFEDSA-N 437.456 4.413 5 20 IIBD CCc1ccc([C@H]2COCCN2C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)o1 749575761 JSDGMGYQASBUTF-CQSZACIVSA-N 443.681 4.380 5 20 IIBD CCCCn1c(SC[C@H](O)c2cccc([N+](=O)[O-])c2)nnc1-c1ccc(OC)cc1 749637550 BBCUJANEPZVXSZ-IBGZPJMESA-N 428.514 4.488 5 20 IIBD CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 751310669 UBSFXQFLPDZLFV-QVKFZJNVSA-N 443.931 4.206 5 20 IIBD C/C(=C\C(=O)O[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1OC(F)F 753536543 QPIBWVLSTBGILQ-LMMOQWNQSA-N 438.358 4.309 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1ccccc1)C[C@H](O)c1ccsc1 756904053 TVKBAMIHUDWIAN-NRFANRHFSA-N 425.510 4.139 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN(Cc3ccccc3)C[C@@H](O)c3ccsc3)o2)cc1 756904505 FTKHOARLEQYYFI-HXUWFJFHSA-N 436.493 4.442 5 20 IIBD O=C(Nc1cnc(Br)c(Br)c1)c1cc(Cl)cc([N+](=O)[O-])c1 757833099 GKGVPARFEXZYFT-UHFFFAOYSA-N 435.459 4.421 5 20 IIBD CC(C)(C)OC(=O)Cc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2Br)c1 758528360 QRKUGKQDQXQNBQ-UHFFFAOYSA-N 435.274 4.494 5 20 IIBD C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 759150594 YIAUXRUTJWNSFD-VIFPVBQESA-N 430.675 4.241 5 20 IIBD O=C(Nc1cc2ccccc2nc1Br)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 760180588 XRFYUOLCCGKSIZ-UHFFFAOYSA-N 443.257 4.201 5 20 IIBD COc1ccccc1-c1nn(C)cc1C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760522597 QFABKSGXFDULPN-UHFFFAOYSA-N 434.408 4.016 5 20 IIBD O=C1OCCN1c1ccc(-c2noc(-c3csc(-c4ccc([N+](=O)[O-])cc4)n3)n2)cc1 761740198 WSTHBJUMYRWZRZ-UHFFFAOYSA-N 435.421 4.392 5 20 IIBD CC(C)(CCc1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1)NC(=O)OC(C)(C)C 762309224 OUGCLPYBGPBPAE-UHFFFAOYSA-N 429.477 4.286 5 20 IIBD CNc1c(C(=O)OCc2csc(N(C(C)=O)c3ccccc3)n2)cccc1[N+](=O)[O-] 765521912 LBXJNFYAMMHJOT-UHFFFAOYSA-N 426.454 4.135 5 20 IIBD CC[C@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C 769484625 KZXVTTJZNBQNID-XJKSGUPXSA-N 442.354 4.483 5 20 IIBD O=[N+]([O-])c1cc2c(cc1CN(Cc1ccccc1)C[C@H](O)c1cccs1)OCCO2 769545910 RJMNNOVKVBTDTN-IBGZPJMESA-N 426.494 4.163 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cn2)CC1 772451255 HWTUXOLPDKFJEM-CQSZACIVSA-N 446.891 4.064 5 20 IIBD COc1ccc([C@@H](C)NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc1Br 777910573 AUDODDMGKTWAEZ-SNVBAGLBSA-N 429.217 4.335 5 20 IIBD CCCN(CCC)C(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc1 777924077 KUHIQPCPYSQQQA-UHFFFAOYSA-N 437.493 4.105 5 20 IIBD CCc1ccc(CN(C)C(=O)COC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 781259235 BHGDSZRXBQWETG-UHFFFAOYSA-N 428.488 4.059 5 20 IIBD CC[C@@H](C)N(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1nc(O)c2ccccc2n1 782512212 CNIBQGGXKXLQJN-CQSZACIVSA-N 441.463 4.012 5 20 IIBD C[C@@H](OC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccccc1[N+](=O)[O-] 782692852 NLMUXCKSRPWEQP-CQSZACIVSA-N 446.506 4.304 5 20 IIBD O=C(CCCc1ccsc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 783031975 MWVSJDSPHLWDOO-UHFFFAOYSA-N 427.448 4.347 5 20 IIBD COc1ccc(-c2noc([C@H](C)OC(=O)c3cc([N+](=O)[O-])ccc3Br)n2)cc1 783356056 NXIMOCYUVSAWIK-JTQLQIEISA-N 448.229 4.334 5 20 IIBD C[C@@H](NCC1(c2cccc(Br)c2)CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 788641296 JKCFJQROURCVCL-CQSZACIVSA-N 434.334 4.339 5 20 IIBD CCOC(=O)/C(=C\c1cnn(-c2ccc(Br)cc2)c1)c1ccc([N+](=O)[O-])cn1 794947838 AIAZCUWXZBNOJV-MFOYZWKCSA-N 443.257 4.042 5 20 IIBD O=C(C[C@@H]1CCCOC1)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 795918807 ZZXONPJMAOZILY-XOBRGWDASA-N 432.860 4.288 5 20 IIBD CC(C)([C@@H](OC(=O)c1cc2nccnc2cc1F)c1ccc(Br)cc1)[N+](=O)[O-] 796831658 GLXHGZGUQOLJQE-KRWDZBQOSA-N 448.248 4.485 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1cc(F)c(Br)cc1Cl 798533127 JPUQDVVNSUBCJY-UHFFFAOYSA-N 427.617 4.138 5 20 IIBD COc1cc(COC(=O)c2ccccc2Oc2cnn(C)c2)c([N+](=O)[O-])cc1OC(F)F 801463076 BCTCARWYYXPRAV-UHFFFAOYSA-N 449.366 4.088 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC(c2nc(-c3ccccc3)cs2)CC1 801886352 ZNYLYOVHKCYBSL-UHFFFAOYSA-N 426.473 4.459 5 20 IIBD C[C@@H](CO)N(C[C@H](C)c1ccccc1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 806366866 FEUXKIKDFOQKKB-KBPBESRZSA-N 436.306 4.376 5 20 IIBD O=[N+]([O-])c1ccc(N2CCOCC2)c(-c2nc(-c3cc(F)ccc3C(F)(F)F)no2)c1 809300555 TWBWDQFHHLASKW-UHFFFAOYSA-N 438.337 4.306 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)c2ccccc21 809861981 JRUBCONEQFTGJR-UHFFFAOYSA-N 447.513 4.162 5 20 IIBD CC(C)NC(=O)Nc1ccc(CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 812909342 FNTHCGMMETUTBR-UHFFFAOYSA-N 425.272 4.362 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1 813291706 ZYLYOISXUVWOKE-GOSISDBHSA-N 431.411 4.285 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCN(C(=O)Cc3ccccc3[N+](=O)[O-])C2)C1 814431328 LOYJCKUZDUMXAD-RBUKOAKNSA-N 431.533 4.023 5 20 IIBD O=C(OCc1ccnc(Br)c1)c1cc([N+](=O)[O-])c(Br)cc1F 815218289 OMKDPDFPGAVLCV-UHFFFAOYSA-N 434.015 4.011 5 20 IIBD CC(=O)[C@@H](Cc1ccc(F)c(F)c1F)OC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 815510033 HHCWHZIVLQDQKN-CQSZACIVSA-N 435.276 4.388 5 20 IIBD O=C(c1cc([N+](=O)[O-])ncc1Br)N1CC[C@H](Sc2cccc(Cl)c2)C1 817058376 PENMXMYFYAMBOD-LBPRGKRZSA-N 442.722 4.413 5 20 IIBD CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)Cc1cc(C)c(OCC(F)(F)F)c(C)c1 917390181 DRDOXGVQVFHYHK-UHFFFAOYSA-N 425.407 4.149 5 20 IIBD CCOc1ccc([C@@H]2CCCN2C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 918854714 BQIRUPFXDXSWAW-IBGZPJMESA-N 432.860 4.167 5 20 IIBD CC(C)[C@@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(=O)N[C@@H]1CCOc2ccccc21 919212589 UZENKAYSULBNLQ-DYESRHJHSA-N 438.436 4.162 5 20 IIBD C[C@H](OC(=O)c1ccc(O[C@@H](C)c2ccccc2)nc1)C(=O)Nc1cccc([N+](=O)[O-])c1 919213628 GKZFSBZGVPUWBZ-HOTGVXAUSA-N 435.436 4.314 5 20 IIBD C[C@H](OC(=O)CCOc1ccccc1[N+](=O)[O-])C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 919492613 DMGJHCXOCRZQBB-SJORKVTESA-N 440.496 4.052 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)OC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1 919514732 QQUZVWVHCPKTBF-OAHLLOKOSA-N 447.451 4.063 5 20 IIBD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(C)n1Cc1ccccc1 921180545 YADCIHAZELQNHF-MRXNPFEDSA-N 439.443 4.385 5 20 IIBD Cc1ccc(NCCCNC(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c([N+](=O)[O-])c1 1116117156 CQUOSSJWSANMPG-QGZVFWFLSA-N 436.516 4.171 5 20 IIBD O=C(Nc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1)c1cc([N+](=O)[O-])ccc1Cl 1251796225 QBRMUBUZGKQPOJ-UHFFFAOYSA-N 449.716 4.269 5 20 IIBD CCOC(=O)c1ccn(-c2cccc(NC(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)c2)n1 1319474826 MLISUVDOPNVDKF-OAHLLOKOSA-N 437.456 4.148 5 20 IIBD Cc1cccnc1C(=O)NC1(c2ccc(NC(=O)c3cccc(F)c3[N+](=O)[O-])cc2)CCC1 1790699842 PRBUWYWJWDFJFI-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C2(NC(=O)C3CCC3)CCC2)cc1 1790791851 KWJKWBIKESSHEL-UHFFFAOYSA-N 436.512 4.209 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCC(F)(F)CC1 1793347274 GEDLWJZDXODPGR-VMLFRAFSSA-N 447.482 4.072 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1 1795696679 GVSBRKMYHGHLSW-JNYVGJRZSA-N 437.471 4.008 5 20 IIBD CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 1804338702 QLCNNOCKDHTPKL-PCMMRFLMSA-N 447.535 4.440 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=CCCC2)[nH]n1 1821283404 OQALPBHSDWGVSR-SFHVURJKSA-N 441.463 4.182 5 20 IIBD Cc1scc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)c1C 1823611492 HTJLQRMCCBRSGL-SFHVURJKSA-N 445.541 4.413 5 20 IIBD O=C(c1ccccc1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830618314 VWVIBNXNDPXROV-QFIPXVFZSA-N 439.487 4.281 5 20 IIBD C[C@H](OC(=O)Cc1ccc(Br)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 3449697 YGPARZSURZQAMQ-JTQLQIEISA-N 441.665 4.124 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nc2sc(C)c(C)c2c1=O 9358059 XJVDHDPWKSOIDD-GFCCVEGCSA-N 432.527 4.122 5 20 IIBD O=C(COC(=O)Cc1ccccc1[N+](=O)[O-])Nc1cc(C2CCCC2)nn1-c1ccccc1 10551480 NGYAJQXTADPABZ-UHFFFAOYSA-N 448.479 4.163 5 20 IIBD COc1ccc([C@H](NC(=O)COC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C(C)C)cc1 10565524 FPHQUKSNDARUQO-OAQYLSRUSA-N 442.493 4.488 5 20 IIBD Cc1nc(COc2cccc(C(=O)O[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cs1 17737178 BNXBMZKFMGHSNV-CYBMUJFWSA-N 441.465 4.123 5 20 IIBD CN(Cc1cccc(Cl)c1Cl)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 17917290 JNMZHLIPEOEQLU-UHFFFAOYSA-N 438.267 4.248 5 20 IIBD O=C(COC(=O)c1ccc(Br)c([N+](=O)[O-])c1)Nc1ccc(C(F)(F)F)cc1 22524593 PTUWGFCDQIMQOV-UHFFFAOYSA-N 447.163 4.172 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccc(Cl)cc3)n[nH]2)c([N+](=O)[O-])c1 24075022 UTAHIQHWYXZMJU-JTQLQIEISA-N 433.877 4.161 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2ccc3cn[nH]c3c2)c2ccccc2)c([N+](=O)[O-])c1 25786606 QJLVJVCVIAXBBV-OAQYLSRUSA-N 430.420 4.316 5 20 IIBD O=C(CCSc1nnc(-c2ccccc2F)n1C1CC1)Nc1ccccc1[N+](=O)[O-] 26252078 QSPGIZIJNXBQHZ-UHFFFAOYSA-N 427.461 4.448 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)N1CCCC1 27571017 NKLWDFBQQIVASK-OXJNMPFZSA-N 429.542 4.037 5 20 IIBD C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)COc1ccccc1[N+](=O)[O-] 29056977 NBDDRCPSXUCSGD-QGZVFWFLSA-N 433.464 4.446 5 20 IIBD Cc1cccc(C)c1NC(=O)CNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 30618461 VXWPQDLBAUMBKS-UHFFFAOYSA-N 441.431 4.077 5 20 IIBD O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 31205449 GKYQGCTXBHIDGQ-NRFANRHFSA-N 439.903 4.001 5 20 IIBD CCCCOc1ccc(-c2nnc(Cn3nc(-c4cccc([N+](=O)[O-])c4)ccc3=O)o2)cc1 60825639 PGBDLXVPDFKOFL-UHFFFAOYSA-N 447.451 4.096 5 20 IIBD C[C@@H](Cc1ccc(Br)cc1)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 107871602 MXYVJXXZOPIHSC-HNNXBMFYSA-N 446.345 4.321 5 20 IIBD O=C(NCc1ccco1)c1cccc(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)c1 237826375 HKIAQPISMXBDDM-UHFFFAOYSA-N 431.395 4.009 5 20 IIBD COc1cc(N2CCC(C(=O)Nc3ccccc3Br)CC2)ccc1[N+](=O)[O-] 301398108 HHYRUAJTTIKWJX-UHFFFAOYSA-N 434.290 4.221 5 20 IIBD Cn1c(Sc2ncc([N+](=O)[O-])cc2Br)nnc1-c1ccccc1Cl 301509099 CKVQYKDKIBDIFK-UHFFFAOYSA-N 426.683 4.352 5 20 IIBD COc1cc(CNc2ncc([N+](=O)[O-])cc2Br)cc(Br)c1OC 301557383 SSPCZKDDHUKHEI-UHFFFAOYSA-N 447.083 4.144 5 20 IIBD O=C(NC1(c2cccc(Br)c2)CCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 302979477 JISDNWXCKANMBE-UHFFFAOYSA-N 441.285 4.352 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(CCc2nc(-c3ccccc3)no2)CC1 303577652 QFRGPOQCZZZYRH-UHFFFAOYSA-N 447.417 4.028 5 20 IIBD CCOC(=O)c1cc(C(=O)N(Cc2ccc(F)cc2)CC(F)(F)F)cc([N+](=O)[O-])c1 304061946 RJTRBYPWSFPBNJ-UHFFFAOYSA-N 428.338 4.115 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCc2ccn(-c3ccccc3)n2)cc1[N+](=O)[O-])c1ccccn1 409908210 FVSLDFKWUVVRNU-QGZVFWFLSA-N 442.479 4.279 5 20 IIBD C[C@H]1C[C@@]1(NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 410377614 DTPYJNVOLMXIBJ-YUNKPMOVSA-N 443.916 4.193 5 20 IIBD Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCCc2c1[nH]c1ccc(Br)cc21 425982282 QQVSTXMZMRAXOB-OAHLLOKOSA-N 429.274 4.228 5 20 IIBD O=C(Nc1ccc(CCN2CCSCC2)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 426118251 XVAASZPIHVOZBW-UHFFFAOYSA-N 440.569 4.383 5 20 IIBD Cc1c(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)nnn1-c1ccc(F)c(Cl)c1 427588329 SFRHROLVFDFDGI-UHFFFAOYSA-N 429.839 4.081 5 20 IIBD COCCN(C(=O)c1cccc(C(C)=O)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 428345244 IFYTWNCSKDVYEP-UHFFFAOYSA-N 425.466 4.214 5 20 IIBD Cc1ccccc1CN1CCC(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 436074483 KKMHVALNQKHCHE-UHFFFAOYSA-N 425.532 4.384 5 20 IIBD Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 436352546 NSDSHWZBUGPNRK-JOCHJYFZSA-N 443.528 4.144 5 20 IIBD CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)Nc1cc([N+](=O)[O-])ccc1C 436492268 YXAYBOYYKCGMBE-IBGZPJMESA-N 437.500 4.148 5 20 IIBD CCN(CC)[C@@H]1CCN(C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 437209537 OCRUCGCNVLGDSH-QGZVFWFLSA-N 441.553 4.104 5 20 IIBD CC(C)Oc1ccc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1Cl 438652875 CVLSSCDCQZXBPO-UHFFFAOYSA-N 433.892 4.411 5 20 IIBD CC(C)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2NS(C)(=O)=O)cc1[N+](=O)[O-] 439539362 GCIKKLKWYUDZEN-UHFFFAOYSA-N 445.419 4.361 5 20 IIBD O=C(Nc1cccc(CN2CCC(CO)CC2)c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 444231009 BESSEXDXCBMKGE-UHFFFAOYSA-N 441.531 4.138 5 20 IIBD C[C@@H](NC(=O)Cc1noc([C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n1)c1ccccc1 445306618 ZGHXOUUNKSSERY-CHWSQXEVSA-N 430.848 4.191 5 20 IIBD CC(C)(c1ccc([N+](=O)[O-])cc1)c1nc(CC(=O)Nc2ccccc2Br)no1 445471742 NABKRKNUAIFHRG-UHFFFAOYSA-N 445.273 4.247 5 20 IIBD Cc1ccc(Cn2nc(C)c(/C=C\c3nc(-c4c([N+](=O)[O-])nc(C)n4C)no3)c2C)cc1 445617024 UZSXYKUJJMFNQU-KHPPLWFESA-N 433.472 4.027 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCSc3c(F)cccc32)c(Br)c1 447032800 AXTCFZZGDOHEJT-CYBMUJFWSA-N 447.307 4.012 5 20 IIBD COc1ccc(NC(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)cc1[N+](=O)[O-] 448003342 GUIYXHLNZDCAEW-MRXNPFEDSA-N 449.305 4.474 5 20 IIBD CCCN(CC)C[C@@H](C)NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 461613276 KRBHVYSKCNHRAU-OAHLLOKOSA-N 444.498 4.067 5 20 IIBD C[C@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])Oc1cccc(Br)c1 462927313 RXSVQLPNVCWQBY-GFCCVEGCSA-N 434.290 4.129 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ccc(Oc2ccncc2)c(Cl)c1 465172450 BRQRXJQBKZUZMA-UHFFFAOYSA-N 441.827 4.388 5 20 IIBD Cc1ccc(OCCCCNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 465589875 CLFNWRLACMARRR-UHFFFAOYSA-N 427.501 4.315 5 20 IIBD CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](C(N)=O)c1cccc(Br)c1 468474802 KBMUUEGZONTAHG-IBGZPJMESA-N 444.285 4.276 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC(=Cc2ccc(F)c(F)c2)CC1 469411148 BFBMBWUTFNSFDT-UHFFFAOYSA-N 428.844 4.395 5 20 IIBD Cc1sc2nc(CS[C@H](C)C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)nc(O)c2c1C 470706515 GIJBAPOSXWNIFH-SNVBAGLBSA-N 436.490 4.321 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]1c1nc2ccccc2n1C(C)C 471024517 AHEIGEAELFARLZ-HXUWFJFHSA-N 437.500 4.310 5 20 IIBD CCc1cc(N2CCC(O)(Cc3ccc(F)cc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 475727949 RGLAWOVKFKIWTI-UHFFFAOYSA-N 436.487 4.327 5 20 IIBD COc1ccc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)c(OCCOC(C)C)c1 475952344 BLIQLBBRHZMPKA-JOCHJYFZSA-N 446.525 4.295 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCc4ccccc4[C@@H]3CO)cc2[N+](=O)[O-])n1 477722046 UVKRDCYPXXBQDB-SFHVURJKSA-N 441.534 4.243 5 20 IIBD Cc1ccc(SCCC(=O)N2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)cc1 478100210 HFWPQMRQDBZHML-UHFFFAOYSA-N 439.541 4.001 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@@H]3CCCOc4c(F)cccc43)cc2)c(C)c1[N+](=O)[O-] 478722312 MPDSGJOKKGDXND-HXUWFJFHSA-N 438.459 4.239 5 20 IIBD O=C(Nc1n[nH]c(-c2c(F)cccc2F)n1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 479772617 XRTOPNOOBQFHFI-UHFFFAOYSA-N 428.380 4.034 5 20 IIBD CCOc1cc(NC(=O)N2CCOC[C@H]2c2ccc(CC)o2)c([N+](=O)[O-])cc1OCC 479937739 HDLJZEYNZIKVBD-KRWDZBQOSA-N 433.461 4.153 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCc3cc(Br)ccc3C2)cc1SC 480952346 KRDGALYNIRDGCV-UHFFFAOYSA-N 437.315 4.286 5 20 IIBD COc1ccc(CN(C)C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])cc1OC(F)F 482724377 LPTVBAOUQYJBQE-UHFFFAOYSA-N 442.440 4.208 5 20 IIBD O=C(NCCCc1nc2ccccc2[nH]1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 485755394 CPUBLQIRYDBVNT-UHFFFAOYSA-N 430.464 4.413 5 20 IIBD COc1ccc(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1Br 486176602 WQLZGAXBTHAAOK-UHFFFAOYSA-N 447.188 4.228 5 20 IIBD O=C(Nc1cccc(C[S@](=O)Cc2ccccc2)c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 487173704 ANTOGDHXEJHTJM-WJOKGBTCSA-N 438.461 4.025 5 20 IIBD COc1cc(CNCc2csc(-c3ccco3)n2)c([N+](=O)[O-])cc1OCC(F)F 493639757 FXANSLLICLQKSX-UHFFFAOYSA-N 425.413 4.254 5 20 IIBD C[C@@H]1[C@H](NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CCN1Cc1ccccc1 494061219 VCCXOFVCWYXOQZ-OPAMFIHVSA-N 429.495 4.213 5 20 IIBD CC1CCN(Cc2csc(NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)n2)CC1 495304719 JMILFSUWKMPFND-UHFFFAOYSA-N 426.445 4.137 5 20 IIBD COc1ccc(N=c2cc(C)[nH]c(-c3ccc([N+](=O)[O-])cc3)n2)cc1Oc1ccc(C)nn1 497521276 FBOMHXGLVMUJPM-UHFFFAOYSA-N 444.451 4.425 5 20 IIBD CC(C)(CNC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1cccc(C(F)(F)F)c1 497859437 XBOFPKNNOSDJIE-UHFFFAOYSA-N 442.459 4.406 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC(C)C)cc1F 498034041 XIWRFGXWOYGBSD-IBGZPJMESA-N 449.504 4.011 5 20 IIBD COc1ccc(Br)c(CC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 498153294 NWXMWAIHNTYEBV-GOSISDBHSA-N 437.315 4.183 5 20 IIBD CCc1cc(N(C)[C@H](C)c2ccc(-n3cncn3)cc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 498855833 DWIAQPIULJRQML-MRXNPFEDSA-N 429.484 4.392 5 20 IIBD COc1ccc(CC[C@H](C)NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 499221481 AWHYSRQLCRGPHT-ZDUSSCGKSA-N 426.391 4.296 5 20 IIBD COc1cccc(NCc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1[N+](=O)[O-] 500735520 BDJSAQRRMSUNMJ-UHFFFAOYSA-N 431.445 4.155 5 20 IIBD Cc1ccc(NC(=O)COc2ccc(CCNC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 501600368 HQBKCGMDWQBECU-UHFFFAOYSA-N 447.491 4.202 5 20 IIBD CC[C@@H](C)N[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccco1 503533395 SAVWDKXCGDMIHR-WBMJQRKESA-N 428.411 4.135 5 20 IIBD O=C(NC1(c2ccccc2)CCCC1)c1ccc([N+](=O)[O-])cc1I 505183725 LBFMBKWZJMDLBB-UHFFFAOYSA-N 436.249 4.399 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)NCc1cccc(NC(=O)Nc2ccccc2)c1 506796303 MVLWHNSUDFISOO-UHFFFAOYSA-N 448.483 4.150 5 20 IIBD CCOc1cc(C(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)c([N+](=O)[O-])cc1OC 508525795 GWTDCNBKZWBCLV-UHFFFAOYSA-N 449.891 4.388 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(Sc3nnc(C)s3)cc2C)c([N+](=O)[O-])c1 509534830 ABOJHOVFCUULJK-UHFFFAOYSA-N 436.540 4.324 5 20 IIBD Cc1nccnc1CCNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 511769956 GJIKBLFXZSAKHO-UHFFFAOYSA-N 428.901 4.470 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F 513030948 JCZWJVQVGNTBBH-UHFFFAOYSA-N 436.365 4.253 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)cc2)o1 514294181 QDEUMTKLZWEJNK-JTQLQIEISA-N 434.861 4.426 5 20 IIBD CSc1ccc([C@@H](CNc2c([N+](=O)[O-])ncn2C)N2CCc3sccc3C2)cc1 515550878 SVZYDJXRVSHWIG-QGZVFWFLSA-N 429.571 4.323 5 20 IIBD C[C@H](N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 515757813 PNOXVRJEVQQVQJ-STQMWFEESA-N 445.907 4.210 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 516381952 XFIGBWDEVVQZLU-CJNGLKHVSA-N 449.891 4.254 5 20 IIBD Nc1c(C(=O)N[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)cc(F)cc1[N+](=O)[O-] 517854999 VYFRCMSEIZEAIS-AWEZNQCLSA-N 430.436 4.386 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccccc1OC(F)F 517993657 KLMCHAMSVVRAGG-UHFFFAOYSA-N 428.413 4.163 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 519555870 KGLKTOXAUDGBGJ-IBGZPJMESA-N 428.514 4.033 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc(Oc2ccccc2)nc1 520319896 DPZBVLOTKOIXNQ-UHFFFAOYSA-N 434.408 4.109 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 520976392 LMBAZOPATVVXTA-NRFANRHFSA-N 426.904 4.156 5 20 IIBD COc1cc([C@H]2Nc3cc(Cl)ccc3C(=O)N2C)c([N+](=O)[O-])cc1OCC(F)(F)F 521483997 YHYSOXOBVRIORN-INIZCTEOSA-N 445.781 4.394 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)cc1OC 521533861 NGYLNRVPRWCUBI-OAQYLSRUSA-N 432.448 4.039 5 20 IIBD O=C(Nc1cccc(Cl)c1Oc1cccnc1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 521840184 FBYCQWHMJBGVAR-UHFFFAOYSA-N 436.815 4.269 5 20 IIBD O=C(Nc1cccc2[nH]ccc12)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 524022580 TWXGVGQMZDWRPY-UHFFFAOYSA-N 436.449 4.129 5 20 IIBD CC[C@H](C)[C@H](O)CNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 524557823 ZBWWVGHFRZRJJV-YVEFUNNKSA-N 439.871 4.386 5 20 IIBD COC(=O)[C@H]1CN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c2ccccc21 530455847 BJZAHZOZAXSANM-QAPCUYQASA-N 446.463 4.080 5 20 IIBD COc1cc(CN(C)[C@H](C)c2ccc([S@](C)=O)cc2)c([N+](=O)[O-])cc1OC(F)F 530865821 IFKDTMYEAKCYPM-ZNNHIBJESA-N 428.457 4.135 5 20 IIBD Cc1ccc([C@H](C)N[C@@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)cc1[N+](=O)[O-] 531443678 JJSREEWJGSKKCH-BXKMTCNYSA-N 447.491 4.340 5 20 IIBD COc1cccc([C@@H](CC(=O)O)NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 532002869 SACLJDCNEZRRDF-OAQYLSRUSA-N 449.463 4.161 5 20 IIBD C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 533056941 KLHLXXOAQQKMTF-IUODEOHRSA-N 448.405 4.306 5 20 IIBD C[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)c1cccc(NC(=O)c2ccccc2)c1 534657975 WJFRQGKAZJEZCZ-KRWDZBQOSA-N 432.480 4.450 5 20 IIBD Cc1ccc(NS(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)cc1[N+](=O)[O-] 536459701 POPFDLRPLBODRX-UHFFFAOYSA-N 436.383 4.121 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2ccc(C(N)=O)n2)cc1 539632322 DGHNWGMPEBZDDU-UHFFFAOYSA-N 439.497 4.024 5 20 IIBD COc1ccc(-c2csc(NC(=O)CN[C@@H](C)c3cccc([N+](=O)[O-])c3)n2)c(OC)c1 540381659 ZJDZGEMEHUZJLA-ZDUSSCGKSA-N 442.497 4.025 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 540780690 NCMTWNJRYPETTO-RTBURBONSA-N 449.429 4.186 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)c1c(C)nc(-c2ccc(F)cc2)nc1SC 541330879 KZUTYKJLWHGXES-UHFFFAOYSA-N 442.472 4.160 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 541525779 GCPSESJUYAOQGU-QGZVFWFLSA-N 429.864 4.180 5 20 IIBD CN(C)[C@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1c(F)cccc1F 542354269 XOKXKOUBOAHWMC-OAHLLOKOSA-N 429.876 4.038 5 20 IIBD Cc1ccc(NC(=O)N2CCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 542364660 OOVBMCZJSPEFQI-UHFFFAOYSA-N 448.932 4.025 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 542528899 FKIVAJDVRZTZGH-MWLCHTKSSA-N 447.845 4.302 5 20 IIBD C[C@@H]1CSc2ccc(Cl)cc2N(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 543267161 PWHSEEMGGZNIAA-NSHDSACASA-N 440.930 4.040 5 20 IIBD COc1ccc(NC(=O)c2c(C)nn(-c3ccc(Br)cc3)c2C)cc1[N+](=O)[O-] 543929063 NLXWNBXPQYNZGD-UHFFFAOYSA-N 445.273 4.421 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3c2cccc3C(F)(F)F)c(C(F)(F)F)c1 544731242 OAHRLBMYGGOELQ-UHFFFAOYSA-N 440.321 4.384 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)CC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 548927740 MIWMBLJOGPZYPK-QFIPXVFZSA-N 427.501 4.176 5 20 IIBD CC(C)(CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)Oc1cc(F)cc(F)c1 552242704 FIQOKKHHSZTCMV-UHFFFAOYSA-N 433.455 4.063 5 20 IIBD CCS(=O)(=O)c1ccc(CNCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)cc1 558065404 VXWJNHDPRCOELI-UHFFFAOYSA-N 439.537 4.446 5 20 IIBD CCC(=O)Nc1ccc(NCc2cc(I)cc([N+](=O)[O-])c2)cc1 564411751 YWDJWVVOARGAAT-UHFFFAOYSA-N 425.226 4.160 5 20 IIBD CN(c1ccccc1)c1ccc(CNCc2ccncc2OC[C@H]2CCOC2)cc1[N+](=O)[O-] 577654389 VWTBNRRYEWHGNW-FQEVSTJZSA-N 448.523 4.463 5 20 IIBD CCc1c(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)nnn1Cc1ccc(F)cc1 577987453 ILKLGWVYZDGUQJ-ZDUSSCGKSA-N 429.477 4.055 5 20 IIBD COC(=O)[C@H](C)N(C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1C 580749699 JFSMGSYAPYXZNN-KGLIPLIRSA-N 449.301 4.364 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CNCc2c(F)cc(F)c(F)c2F)c1 580862968 GTMADDMSTVERAF-UHFFFAOYSA-N 440.134 4.046 5 20 IIBD Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 603667807 OQLUSVFWVGESSX-LJQANCHMSA-N 444.944 4.178 5 20 IIBD COC[C@H](C)n1c(SCCCOc2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O 603948121 UUQODHUOWZDCLZ-HNNXBMFYSA-N 429.498 4.073 5 20 IIBD CC(C)(CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(C(F)(F)F)c1 608922936 YXWPGCTZIQKFAG-UHFFFAOYSA-N 443.809 4.300 5 20 IIBD COc1cccc(CC(=O)N2CCc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4F)cc32)c1 608945038 QTMSDNIHENOYGP-UHFFFAOYSA-N 449.438 4.127 5 20 IIBD CC(=O)N(c1ccc(F)cc1)c1nc(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)cs1 609053673 LMIFQAUYDQXMJG-UHFFFAOYSA-N 438.444 4.182 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1nc(-c2cccc(Cl)c2)no1 609663967 PTANXZIWCHHZLV-SNVBAGLBSA-N 437.239 4.035 5 20 IIBD CCOc1ccc(NC(=O)[C@@H](C)SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cc1 609770640 GCMFZAFKRGTCPW-CQSZACIVSA-N 445.497 4.052 5 20 IIBD CC[C@H](C(=O)N1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1)c1ccccc1 609792878 QRLLHBVSGXJMKW-FQEVSTJZSA-N 443.931 4.092 5 20 IIBD O=C(Nc1cccc(CS(=O)(=O)c2ccccc2)c1)c1cc(Cl)cc([N+](=O)[O-])c1 609860663 HDQLAABYDZJZAN-UHFFFAOYSA-N 430.869 4.474 5 20 IIBD COc1cc(C(=O)NC2(c3ccccc3F)CC2)c([N+](=O)[O-])cc1OCc1cscn1 609865237 SJAPNAIKVBEROO-UHFFFAOYSA-N 443.456 4.197 5 20 IIBD O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1ccc([N+](=O)[O-])cc1Br 610044449 VFBNIKDNHPHOCO-UHFFFAOYSA-N 442.273 4.204 5 20 IIBD O=C(Nc1ccc2c(c1)oc1ccccc12)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 610142059 RZDOHDVSADHKMB-UHFFFAOYSA-N 444.447 4.484 5 20 IIBD Cc1c(Cl)cccc1-n1c(SCCn2cc([N+](=O)[O-])cn2)nnc1-c1ccncc1 610208099 FFJWREFWQBEEMF-UHFFFAOYSA-N 441.904 4.188 5 20 IIBD CC(C)[C@@H](CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccnn1C 615954325 LKGNHCUKXPQGGE-SJLPKXTDSA-N 436.516 4.066 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)n(-c2ccc(C(F)(F)F)cn2)n1 727311762 JAFMTWCYCOXTIX-UHFFFAOYSA-N 425.754 4.408 5 20 IIBD CC(C)COc1ccc(CC(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 730370226 RCHGPQWTWWFRSI-AWEZNQCLSA-N 434.876 4.396 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@H](c1ccccc1)C1CCCCC1 731609553 QNLDGLIQRCLTLW-HSZRJFAPSA-N 426.469 4.233 5 20 IIBD CC(C)n1ccc(COC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 735129687 WPZOPXOLGWWRJJ-UHFFFAOYSA-N 440.422 4.351 5 20 IIBD CSCc1c(C(=O)OCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)oc2ccccc12 735333162 SPHPUYGKSMGPCI-UHFFFAOYSA-N 442.449 4.359 5 20 IIBD C[C@@H](OC(=O)[C@H]1CCCN(Cc2ccccc2)C1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 735938669 MZRIIFAFFFULHT-WBVHZDCISA-N 445.903 4.031 5 20 IIBD O=C(OCc1nccn1C(F)F)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 736864466 USNUJHIHSKMEQY-UHFFFAOYSA-N 432.170 4.036 5 20 IIBD Cc1c(Cl)cccc1OCC(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 736908251 UWXFXAPYCSUOLZ-NSHDSACASA-N 427.240 4.159 5 20 IIBD O=[N+]([O-])c1ccc(/C(O)=C(/C(=S)NC(C2CC2)C2CC2)[n+]2cc(O)cc(Cl)c2)cc1 738009871 CEELIHURYCPWNV-UHFFFAOYSA-O 446.936 4.231 5 20 IIBD C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC[C@@H]1c1ccccc1 742315186 CTXTWLBHHVWPTO-CJNGLKHVSA-N 439.331 4.172 5 20 IIBD CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=S)Nc1ccc([N+](=O)[O-])cc1 743581085 ZHBVYTSCPBRIHG-UHFFFAOYSA-N 426.464 4.374 5 20 IIBD CSc1nc(C(=O)OCCOc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c2ccccn12 744064536 XOGZINDTRAJGNW-UHFFFAOYSA-N 441.387 4.219 5 20 IIBD CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)OC1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 744173459 FREKIFSGPVUDGA-SCWSEQNSSA-N 434.533 4.489 5 20 IIBD O=C(COC(=O)c1csc([N+](=O)[O-])c1)Nc1cc(C2CCCC2)nn1-c1ccccc1 744797326 XUWBMTYRIXBDQF-UHFFFAOYSA-N 440.481 4.295 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](C(=O)N1CCCCC1)c1ccccc1 746154295 QFNAIGAMYLJVLP-OXJNMPFZSA-N 428.510 4.372 5 20 IIBD COc1ccc2c(c1)OC[C@@H](C(=O)Oc1ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc1)C2 747370116 NRNBPJRTOYNGRN-KRWDZBQOSA-N 448.431 4.012 5 20 IIBD CCCN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@H](C)C(=O)Nc1ccccc1 749365349 MIOXXCKQEZVFMG-CYBMUJFWSA-N 434.290 4.237 5 20 IIBD C[C@H](c1nnc(SC[C@@H](O)c2cccc([N+](=O)[O-])c2)n1-c1ccc(Cl)cc1)N(C)C 749637941 FWAYICJFXLGQIF-FZKQIMNGSA-N 447.948 4.277 5 20 IIBD O=C(OC[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1ccc(Br)cc1[N+](=O)[O-] 751178387 MHMMYYOVYHKSQE-CQSZACIVSA-N 447.285 4.067 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F 751414641 YXXKYDRTQYZNCQ-MRXNPFEDSA-N 437.201 4.010 5 20 IIBD CS(=O)(=O)CC1(COC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CCC1 753311660 BUTWELNNBWZXDK-UHFFFAOYSA-N 435.523 4.118 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)cc1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 753910354 DISMNLMNDVDPCQ-UHFFFAOYSA-N 444.444 4.030 5 20 IIBD C[C@@H](OC(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 757856329 LYHUDBLWQSHBPP-MRXNPFEDSA-N 447.447 4.055 5 20 IIBD COc1ccc([C@@H]2CCCCCN2C(=O)COC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1 758113189 JHVVCSSUCOYBTC-IBGZPJMESA-N 430.432 4.043 5 20 IIBD COc1ccc(C(=O)Nc2ccc(C(=O)OCCOc3ccccc3[N+](=O)[O-])s2)cc1 758128796 CRFPJOWBQONMMT-UHFFFAOYSA-N 442.449 4.153 5 20 IIBD CC(C)N(C(=O)c1cccc([N+](=O)[O-])c1Br)c1ccc(N2CCOCC2)cc1 758209656 ILAFZLPTXGCOIM-UHFFFAOYSA-N 448.317 4.249 5 20 IIBD CNC(=O)c1cc(Oc2cc(NC(=O)c3cc(F)cc(C)c3[N+](=O)[O-])ccc2C)ccn1 758510009 MPRGIBNOIMRZGC-UHFFFAOYSA-N 438.415 4.150 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] 758620217 PVNCATJKCHRVKB-QAPCUYQASA-N 442.896 4.237 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](O)c1cccc(OCc2ccccc2)c1 761609210 QPKYJVUJFFIZSQ-NRFANRHFSA-N 437.452 4.038 5 20 IIBD COc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c1 762171597 PKENRKYFHJOLMA-KOSHJBKYSA-N 434.492 4.469 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC1CCN(Cc2ccc(Br)cc2)CC1 762205338 WTSBSQYBYMDLSI-YHYXMXQVSA-N 444.329 4.151 5 20 IIBD CC(C)N(CCc1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1)C(=O)OC(C)(C)C 762308534 JWQPTELOXZEPQB-UHFFFAOYSA-N 429.477 4.238 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(-c4ccc(OC(F)F)c([N+](=O)[O-])c4)n3)c2c1 762309218 OSELMDPAESVMCV-UHFFFAOYSA-N 431.311 4.227 5 20 IIBD CC[C@H](C)n1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c1C1CC1 762476334 NJOJTGGWHYMGNK-JTQLQIEISA-N 443.323 4.203 5 20 IIBD COCCc1noc(-c2cc(Cl)ccc2NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)n1 763510346 PNWSYUVKMDBVQF-UHFFFAOYSA-N 438.774 4.018 5 20 IIBD C[C@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1)c1ccccc1[N+](=O)[O-] 764588453 PYZGWICFDHAZEF-UGSOOPFHSA-N 447.285 4.266 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 765531197 RHUCFFIVBDKGIT-TZMCWYRMSA-N 449.847 4.296 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1ccc(Oc2ccccc2)nn1 766079961 ZYXCZYCUGKRJCO-UHFFFAOYSA-N 437.455 4.480 5 20 IIBD O=C(COC(=O)/C=C/c1ccc2[nH]ccc2c1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 766183285 XQGCJBZNKLEUCG-QHHAFSJGSA-N 433.342 4.290 5 20 IIBD O=C(Nc1ccc(Cc2nnc3n2CCCCC3)cc1)c1cc([N+](=O)[O-])ccc1Cl 766657261 PIWSANHUCKJNDZ-UHFFFAOYSA-N 425.876 4.409 5 20 IIBD Cc1c(C(=O)N2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)nnn1-c1cccc([N+](=O)[O-])c1 767194065 ITSQZCKRLNVZSM-HNNXBMFYSA-N 445.401 4.132 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)c2oc(C)nc2C)cc1 767283148 YJFHTKHEDCNSFF-UHFFFAOYSA-N 426.381 4.040 5 20 IIBD Cc1c(C(=O)OCc2nc3cc(C(F)(F)F)ccc3o2)nnn1-c1cccc([N+](=O)[O-])c1 767342963 YOGDKWMKZIAUIP-UHFFFAOYSA-N 447.329 4.001 5 20 IIBD CCCN(C(=O)CCNc1ccccc1[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 769358972 FAHYYFNENMWJPQ-UHFFFAOYSA-N 434.537 4.035 5 20 IIBD CN(CCC1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1)C(=O)OC(C)(C)C 769919753 YZTQENZWRBQNMX-UHFFFAOYSA-N 443.342 4.226 5 20 IIBD COCCOc1ccc(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(Cl)c1 770419680 WBPRPUDCUPLMSE-GFCCVEGCSA-N 447.831 4.241 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c(C(F)(F)F)o1 770473511 MLQOMOSNXXTXQC-UHFFFAOYSA-N 440.252 4.329 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)OCc2ccccc2)c1 770669209 BLKOONXSLYUUBE-LVNJIZSUSA-N 440.521 4.205 5 20 IIBD COc1cc(Cc2noc(-c3nc(-c4cccs4)oc3C)n2)c([N+](=O)[O-])c(OC)c1 771747884 ZKBOUAAVTNRKKD-UHFFFAOYSA-N 428.426 4.278 5 20 IIBD COc1cc(Cc2noc(/C=C(/C)c3ccc([N+](=O)[O-])cc3)n2)c([N+](=O)[O-])c(OC)c1 771749205 VYZQEILAJKQSCW-WQLSENKSSA-N 426.385 4.055 5 20 IIBD C[C@H](N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 775691430 VBKPUSRKXMWAKI-FTRWYGJKSA-N 430.936 4.075 5 20 IIBD COc1nc(C)ccc1C(=O)O[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 777227146 PNMHSWTUDGOUAB-FQEVSTJZSA-N 435.436 4.152 5 20 IIBD C[C@@H](OC(=O)[C@H](c1cccc(Cl)c1)N(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 780101348 AIUSJGRMAPMXSC-DIFFPNOSSA-N 440.283 4.075 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 780288495 OEOFLUVONMRWBE-MRXNPFEDSA-N 446.307 4.383 5 20 IIBD Nn1c(CSc2ccccc2)nnc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 782381515 LZQVPKVUGQDWML-UHFFFAOYSA-N 427.433 4.362 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1[N+](=O)[O-] 782425254 AIEKAXRAEPODEU-UHFFFAOYSA-N 445.375 4.402 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCSCC2)cc1 786224204 QGHFNIBWBOYNMC-UHFFFAOYSA-N 436.331 4.471 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 787666045 XNIHYOVPWXANCQ-UHFFFAOYSA-N 432.476 4.151 5 20 IIBD Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1cc([N+](=O)[O-])cc(Br)c1C 790168749 HOPVBVDXJPRLRN-FXAWDEMLSA-N 444.329 4.422 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)c1F 790413530 GIBMHDAMAJZTOL-UHFFFAOYSA-N 428.464 4.109 5 20 IIBD Cc1c(Br)cccc1CC(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 791505923 PYDZNKUDGSCEAQ-ZDUSSCGKSA-N 435.274 4.087 5 20 IIBD CCC[C@@H](Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)[C@H](O)c1ccccc1 795207631 ONMPYYMWXWWEQA-YLJYHZDGSA-N 428.876 4.108 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCC(F)(F)CC2)c([N+](=O)[O-])c1 795272875 SHUZLAUTBZJIQY-UHFFFAOYSA-N 425.457 4.046 5 20 IIBD CC[C@H](c1ccncc1)N(CC)C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] 796596066 OZYMXCIAQBZZIB-MRXNPFEDSA-N 435.322 4.188 5 20 IIBD Cc1c(NC(=O)C(=O)N(C)C2CCCCCCC2)cc(Br)cc1[N+](=O)[O-] 797532755 PGJOTPLVHCRNOO-UHFFFAOYSA-N 426.311 4.176 5 20 IIBD Cc1nn(Cc2ccc(C(=O)OCC(=O)Cc3ccccc3Cl)cc2)c(C)c1[N+](=O)[O-] 800120163 KVVLNMZESSKRMK-UHFFFAOYSA-N 441.871 4.078 5 20 IIBD CCCc1noc2nc(CC)cc(C(=O)OCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c12 800325505 RUPSAEAVHFBDAR-UHFFFAOYSA-N 437.412 4.053 5 20 IIBD O=[N+]([O-])c1ccc(F)c(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)c1 800927784 BBPXMMWJHFKGJY-UHFFFAOYSA-N 443.172 4.316 5 20 IIBD COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OC(=O)OC[C@@H]1CCCO1 804938333 VOZQKWKFWFCZDG-LPHOPBHVSA-N 440.452 4.280 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(Cl)c(SC(=O)N(C)C)c2)cc1[N+](=O)[O-] 809221222 PCPDCHQAOZEPDQ-UHFFFAOYSA-N 438.849 4.491 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N[C@H](c2ccccc2)C2CCOCC2)c(Cl)cc1Cl 809817581 GPRKPPSWFWNSDO-GOSISDBHSA-N 445.324 4.348 5 20 IIBD CCCN(C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCc2ccccc21 810355904 FJBJQYVEVZUOIB-QGZVFWFLSA-N 446.301 4.222 5 20 IIBD CCOc1cc(-c2nc(-c3cc(Cl)c(OC)c(OC)c3)no2)c([N+](=O)[O-])cc1OC 904407833 JANPOKZSFUTJMN-UHFFFAOYSA-N 435.820 4.390 5 20 IIBD O=C(NCCNc1ncnc2sccc12)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 917135336 SGLJMQSSAUAUIE-UHFFFAOYSA-N 448.508 4.054 5 20 IIBD CN(CCCOc1ccc(F)cc1)C(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1 917170729 BDIMSBROOMIGFD-UHFFFAOYSA-N 435.502 4.363 5 20 IIBD CC(C)(C)c1cc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)on1 917256963 HSYQOBIPQRSVOB-UHFFFAOYSA-N 439.424 4.468 5 20 IIBD CC(C)C[C@@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccccc1 917901774 QTGGOFOHWZBCOR-OAQYLSRUSA-N 439.512 4.255 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c([N+](=O)[O-])c1 919447683 VFHSGVTWFDXVIS-JKSUJKDBSA-N 444.484 4.373 5 20 IIBD O=C(c1cnn(-c2ccc(Cl)cc2Cl)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 919880438 LQLWMCLUSREMQU-UHFFFAOYSA-N 446.294 4.050 5 20 IIBD O=C(c1cc(Br)sc1Br)N1Cc2ccc([N+](=O)[O-])cc2C1 1318784868 NXGIDXLUHCHAKK-UHFFFAOYSA-N 432.093 4.337 5 20 IIBD CCOC(=O)[C@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1)C1CC1 1327475986 UUUZXEOUJQTCGK-LJQANCHMSA-N 448.859 4.121 5 20 IIBD Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)C4(F)CC4)cc3)CCC2)cc1[N+](=O)[O-] 1791154411 UJTIJVNHMMENJK-UHFFFAOYSA-N 425.460 4.082 5 20 IIBD O=C(CC1CCCC1)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])[nH]n1 1816690229 RTJILDIDHVZCAM-GOSISDBHSA-N 443.479 4.343 5 20 IIBD CC/C=C(\C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1c(F)ccc([N+](=O)[O-])c1C)CC2 1827454215 DTNYFKFKKBNSHV-HQIZRNBFSA-N 446.504 4.081 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/C(C)C)CC1 1832512919 VAUYOEAIUCKKBL-CLNPQZTCSA-N 445.535 4.488 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C(=O)Nc1cccc(Cl)c1Cl 10016974 ALSNWDPTXMVTCP-SNVBAGLBSA-N 426.256 4.152 5 20 IIBD Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 10898619 UTSIZZPDCFPVIQ-AWEZNQCLSA-N 435.933 4.275 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 15410911 BHKKMZKFLNRUGK-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD O=C(COC(=O)c1c(-n2cccc2)sc2c1CCSC2)Nc1cccc([N+](=O)[O-])c1 16412575 OXLHSDDGRXLHOM-UHFFFAOYSA-N 443.506 4.032 5 20 IIBD Nc1nc(COC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)nc2ccccc12 18328801 QVPVBASLMWQLNV-UHFFFAOYSA-N 429.436 4.089 5 20 IIBD Cc1c(NC(=O)[C@H](C)Sc2ncnc3c2cnn3-c2ccccc2)cccc1[N+](=O)[O-] 21910621 RNBAHHIZFFYDDU-AWEZNQCLSA-N 434.481 4.151 5 20 IIBD COc1ccc(-c2noc(CSc3nc4cc5ccccc5cc4c(=O)n3C)n2)cc1 22254718 PCLLMWHRGZODKU-UHFFFAOYSA-N 430.489 4.438 5 20 IIBD COc1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1OC 24098311 IWJYVASUJQJIIL-JOCHJYFZSA-N 449.419 4.112 5 20 IIBD C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1cccc([N+](=O)[O-])c1 26588919 CDGZEXUEUQGEFX-MRXNPFEDSA-N 432.498 4.078 5 20 IIBD Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCCN3C(=O)c3ccco3)n2)cc1[N+](=O)[O-] 58072153 LEHYRYMYDSFKKO-INIZCTEOSA-N 440.481 4.253 5 20 IIBD Cc1c(CS(=O)(=O)CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] 61796357 VXBGTVNDYLWBRG-GFCCVEGCSA-N 445.324 4.002 5 20 IIBD CS(=O)(=O)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cc1 63984291 KKXNBGWWODABRK-UHFFFAOYSA-N 426.450 4.184 5 20 IIBD C[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])c1cc2c(cc1Br)OCCO2 64029964 UJWWBTAMNAFITQ-MRVPVSSYSA-N 425.264 4.011 5 20 IIBD Cc1cccc(C(=O)N2CCCC2)c1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 64784790 NBWNSOYJXXODSF-CQSZACIVSA-N 431.876 4.199 5 20 IIBD C[C@H](NC(=O)C1(c2ccc(Br)cc2)CCOCC1)c1cccc([N+](=O)[O-])c1 110118902 INFBRCBEIVQBJK-AWEZNQCLSA-N 433.302 4.283 5 20 IIBD O=C(Nc1cccc(I)c1)c1cccc([N+](=O)[O-])c1Br 159043564 MSHBDGHBPIBQPT-UHFFFAOYSA-N 447.026 4.214 5 20 IIBD O=[N+]([O-])c1cc2c(O)ncnc2cc1N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 301208766 UZWIKJQKVNKKIK-QGZVFWFLSA-N 439.230 4.267 5 20 IIBD O=C(CCn1cc(Br)c(-c2ccc(F)cc2)n1)Nc1ccccc1[N+](=O)[O-] 410039567 UQYSHMCRABFTKS-UHFFFAOYSA-N 433.237 4.389 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3F)cs2)c1 410089608 UNFYVLBDYPJIOE-UHFFFAOYSA-N 430.417 4.077 5 20 IIBD C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1nc(Cc2ccccc2)no1 427221066 XIZIPMJBKBTGTL-KRWDZBQOSA-N 438.487 4.006 5 20 IIBD Cn1ccnc1Sc1ccccc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 429794928 WVLQODYZWVZTBU-UHFFFAOYSA-N 433.287 4.494 5 20 IIBD COc1ccc(CSCC(=O)Nc2c(-c3ccncc3)nc3ccccn23)cc1[N+](=O)[O-] 430654089 QRWMAYBGJCSZSR-UHFFFAOYSA-N 449.492 4.185 5 20 IIBD Cc1cc(NC(=O)COc2c(Br)cccc2[N+](=O)[O-])n(-c2ccccc2F)n1 431215202 BCEIGNCYLBJFGI-UHFFFAOYSA-N 449.236 4.008 5 20 IIBD CCC[C@H]1CCc2nc(NC(=O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)sc2C1 435016477 OJYGZNPVILHCDK-AWEZNQCLSA-N 442.541 4.086 5 20 IIBD COc1cccc2c1CCN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)CC2 435329405 PBJGCAQITLQZPY-UHFFFAOYSA-N 434.290 4.307 5 20 IIBD Cc1cccc(CCNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)c1 435478063 RYTDUMGPILFZPK-UHFFFAOYSA-N 441.534 4.413 5 20 IIBD C[C@@H](COc1ccc(F)cc1F)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 436144917 RJUFSBLVPYNQIA-LBPRGKRZSA-N 426.394 4.296 5 20 IIBD CCN(CC)[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1ccco1 436309455 RZUPTDFTJLKEDO-LJQANCHMSA-N 439.462 4.365 5 20 IIBD O=C(Nc1cccc(F)c1)C1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 436361561 ORSZUAVXATYROT-UHFFFAOYSA-N 443.478 4.311 5 20 IIBD CCOc1cc(-c2noc(COc3ccccc3[N+](=O)[O-])n2)cc(Br)c1O 436893166 MWILOZJBHXENTG-UHFFFAOYSA-N 436.218 4.091 5 20 IIBD O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437033833 ONUGFPCCVNTOCW-UHFFFAOYSA-N 441.793 4.397 5 20 IIBD CC[C@@H](C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 438266310 AZZLNHDQJQISDG-MRXNPFEDSA-N 440.418 4.483 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1 438424628 HIMDZXPJOSAHRK-RDTXWAMCSA-N 447.417 4.206 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1cccc(CCC(F)(F)F)c1 440691654 ILWDPAAGZSJPCU-UHFFFAOYSA-N 437.374 4.417 5 20 IIBD C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 444402905 VDZHEIFRFTYVGK-VLIAUNLRSA-N 441.871 4.164 5 20 IIBD COc1ccc(CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c2nccs2)c(OC)c1 444478551 LCPZNFMMWRYTNL-UHFFFAOYSA-N 438.465 4.397 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1cccnc1SCc1ccc(F)cc1 444633926 WMFQVMQQYOBIMG-UHFFFAOYSA-N 437.456 4.228 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1nc2cc(F)c(F)cc2s1 446124952 DLNJNMLVMOUWHY-UHFFFAOYSA-N 428.214 4.426 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCc1cc2cc(Br)ccc2[nH]1 447801672 DIWRBKLLSFKBPE-UHFFFAOYSA-N 445.317 4.283 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)c1 460967238 YXWDCJNIYHIMRE-QGZVFWFLSA-N 431.448 4.231 5 20 IIBD C[C@@H]1Cc2ccccc2CN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCCO1 461847599 YFCFRTWOPGCYJW-VGSWGCGISA-N 433.512 4.374 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)Nc3cc(C4CCOCC4)[nH]n3)cc2[N+](=O)[O-])cc1 464293947 HRVJRUTXYSENEW-UHFFFAOYSA-N 438.509 4.924 5 20 IIBD COc1ccc([C@H](NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C2CC2)cc1 465491727 VSFLDHANTVCKMK-JOCHJYFZSA-N 425.485 4.308 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 467838111 GTNCKPXYNAQLMF-SHTZXODSSA-N 436.295 4.084 5 20 IIBD Cc1ccccc1-n1ncc(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)c1C(F)(F)F 469180277 DWXIXLYQYKPNMG-UHFFFAOYSA-N 441.369 4.908 5 20 IIBD O=C(NCc1cccc(NC(=O)c2cccc(F)c2)c1)Nc1cc(F)cc([N+](=O)[O-])c1 470116523 GIYWTBVSXBCQMD-UHFFFAOYSA-N 426.379 4.447 5 20 IIBD COc1ccc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c(C)n1 470244935 GGACCUPDRVWPQW-UHFFFAOYSA-N 443.463 4.341 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1nnc(-c2ccccc2Cl)s1 472432154 OERCIGSWQKFYFJ-UHFFFAOYSA-N 431.282 4.221 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)cc1[N+](=O)[O-] 472898245 OESXGNVDGCWKIC-NSHGMRRFSA-N 440.521 4.235 5 20 IIBD C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 473514600 XASJLXWWRALQCW-INIZCTEOSA-N 430.468 4.076 5 20 IIBD Cc1csc(NC2CCN(C(=O)c3ccc(N4CCC[C@H](C)C4)c([N+](=O)[O-])c3)CC2)n1 474816387 GIFQRHRNVZZIDF-HNNXBMFYSA-N 443.573 4.313 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] 480193470 KUPIXUPGOMUSDY-QGZVFWFLSA-N 445.541 4.335 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N3C[C@@H](C)O[C@H](C4CC4)C3)c([N+](=O)[O-])c2)c(C)c1 480395321 QKMOALWCBDPLBE-ZHRRBRCNSA-N 445.541 4.016 5 20 IIBD O=C(Nc1ccc(OC(F)F)c2cccnc12)N1CCN(c2ccccc2[N+](=O)[O-])CC1 482087244 HMCFIBCRJSYKRD-UHFFFAOYSA-N 443.410 4.099 5 20 IIBD O=C(Nc1ccc(OC(F)F)c2cccnc12)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 482089119 OLUTZCXNTMGVCR-UHFFFAOYSA-N 443.410 4.099 5 20 IIBD COc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1NC(=O)c1cccc(F)c1 482629942 BPBOJSCSEYHADH-UHFFFAOYSA-N 439.399 4.012 5 20 IIBD O=C(NCc1nn(-c2ccccc2)c2c1CCC2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 485281956 IVZYUHUILMWKKG-UHFFFAOYSA-N 431.496 4.143 5 20 IIBD COc1cc(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c([N+](=O)[O-])cc1OC(F)F 485381292 ZMPPXBZFDHNAAI-UHFFFAOYSA-N 444.394 4.011 5 20 IIBD CN(C(=O)[C@@H]1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1)c1ccccc1 485424640 YNBYYSDDERSISV-HXUWFJFHSA-N 429.476 4.315 5 20 IIBD O=C(NCCc1cc(Br)ccc1F)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 485444365 VVWSTOGVXIDMBA-UHFFFAOYSA-N 436.281 4.413 5 20 IIBD CCCN(Cc1ccccc1Br)C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 485572313 CODYXKBMMBVPQX-UHFFFAOYSA-N 434.290 4.043 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCC[C@H](Oc4ncccc4F)C3)cc2[N+](=O)[O-])CC1 486591694 CJABDLXOJXIPTH-SFHVURJKSA-N 442.491 4.049 5 20 IIBD CC(C)OC(=O)C[C@@H]1CCCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 486592760 VWNXNTNEUHETFU-IBGZPJMESA-N 440.496 4.368 5 20 IIBD C[C@H](NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)C(=O)N1CCCC[C@H]1C 487348793 ZHTZUOUFSSFOFX-CVEARBPZSA-N 427.526 4.265 5 20 IIBD CCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@H](c1cccnc1)c1ccc(F)c(F)c1 489307259 XKEPXSVBPCOESO-FQEVSTJZSA-N 441.390 4.248 5 20 IIBD COc1cc(C(=O)NC2(c3cccc(Br)c3)CCC2)c([N+](=O)[O-])cc1OC 490193993 RNKXDRSZSXNWPF-UHFFFAOYSA-N 435.274 4.184 5 20 IIBD CN(C(=O)CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)C1CCCCC1 490362932 HADKMLIMPLOJJO-UHFFFAOYSA-N 427.526 4.267 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N(C)Cc2cc3c(cc2OC(F)F)OCO3)cc1[N+](=O)[O-] 493310770 NZMYJBXYUVNQKM-LBPRGKRZSA-N 437.399 4.136 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@H](Cc1ccccc1)c1cccs1 493419465 ZEZKPDGIMQNQRI-QGZVFWFLSA-N 429.885 4.348 5 20 IIBD Cc1noc(C)c1NC(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 503360429 SEGJWQUFCXHFTG-UHFFFAOYSA-N 441.513 4.278 5 20 IIBD CCOc1cc(C(=O)N[C@@H](C)Cc2ccccc2C(F)(F)F)c([N+](=O)[O-])cc1OC 503633332 ZLKJUXBTWZENFH-LBPRGKRZSA-N 426.391 4.382 5 20 IIBD COCCCS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3c3cccnc23)cc1 504186004 PILGLWJOWSDLQF-UHFFFAOYSA-N 434.517 4.451 5 20 IIBD Cc1c(NC(=O)C(=O)NCCc2ccc(Oc3ccc(F)cc3)cc2)cccc1[N+](=O)[O-] 504351561 LKFJTAKXBWYXMP-UHFFFAOYSA-N 437.427 4.132 5 20 IIBD COc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1OCc1ccncc1 508303708 GFKPWQHQIUYQSF-UHFFFAOYSA-N 448.479 4.430 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3nc4ccc(Cl)cn4n3)cc2[N+](=O)[O-])C1 508318762 VKURBNCLYLNQMA-CHWSQXEVSA-N 428.880 4.026 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccccc2)N2CCc3sccc3C2)c1 508757243 BYZSEFNQNYBFFV-OAQYLSRUSA-N 437.521 4.194 5 20 IIBD C[C@H](O)[C@H]1CCN(C(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C1 509413059 BFVJWKFGYHEJAD-LFXZBHHUSA-N 437.521 4.365 5 20 IIBD COc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c(C)c1OC 510833308 ZJMXYJYPGIXEIF-AWEZNQCLSA-N 443.500 4.034 5 20 IIBD C[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(NC(=O)C2CC2)cc1 510841710 HHQZTDOPQIFUJW-LLVKDONJSA-N 434.399 4.427 5 20 IIBD COc1cccc(C2(F)CCN(c3ccc(C(=O)c4nccn4C)cc3[N+](=O)[O-])CC2)c1 513045676 FZJNIPAMIFDSPG-UHFFFAOYSA-N 438.459 4.033 5 20 IIBD CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccc([N+](=O)[O-])c(O)c1 514718711 LUSABDIBHFZJQV-UHFFFAOYSA-N 426.256 4.098 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccc(Br)c2)c(F)c1 515757052 NMYYPULPTOJQFN-OAHLLOKOSA-N 429.267 4.022 5 20 IIBD Cn1c(SCc2csc(CCc3ccccc3)n2)nc2cc([N+](=O)[O-])ccc2c1=O 517073195 DWOXQVJHPPVXOP-UHFFFAOYSA-N 438.534 4.376 5 20 IIBD C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 518367910 VHNMKZIICYUJML-QVKFZJNVSA-N 429.904 4.451 5 20 IIBD C[C@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cc(F)c(Cl)cc1Cl 518658400 SOAMQWLGABUWTQ-QMMMGPOBSA-N 448.665 4.301 5 20 IIBD O=C(NCCOc1ccccc1-c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 520009547 FYTCXBZMPPRMHZ-UHFFFAOYSA-N 439.855 4.049 5 20 IIBD Cc1ncc(-c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2)o1 533005449 FYGRNEKPXMYAEV-UHFFFAOYSA-N 427.360 4.378 5 20 IIBD Cc1ncc(-c2ccccc2)cc1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 534808225 IFBUPDBZXIFLDN-UHFFFAOYSA-N 432.436 4.292 5 20 IIBD CN1CC[C@@H](CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)[C@@H]1c1ccc(Cl)c(F)c1 534970843 JKSGKYTYCCVPCM-KKSFZXQISA-N 446.910 4.148 5 20 IIBD O=C(N[C@@H](CCCO)c1ccccc1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 535614485 WJBKPSWHDWHLKI-KRWDZBQOSA-N 449.294 4.331 5 20 IIBD O=C(NCCCNc1ncnc2ccc([N+](=O)[O-])cc12)[C@H]1C[C@H]1c1c(F)cccc1Cl 537018800 UBYXFXILOKAFJO-KGLIPLIRSA-N 443.866 4.052 5 20 IIBD C[C@@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(OCc2cccnc2)cc1 537640428 FOZBAVMEZGFHGS-CYBMUJFWSA-N 433.511 4.207 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 538747574 KYQKUUPXHVQBON-SFHVURJKSA-N 426.473 4.073 5 20 IIBD O=C(c1cc(Br)cc(Br)c1)N1CCc2ccc([N+](=O)[O-])cc21 539109226 RJOUUHQZHABYJW-UHFFFAOYSA-N 426.064 4.323 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])N[C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F 542068039 CHVNDPDQIXZVDW-OAHLLOKOSA-N 438.280 4.292 5 20 IIBD O=C(N[C@H](CCO)c1ccccc1Br)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 543833681 RKGITDDWNHSRMH-OAHLLOKOSA-N 447.207 4.230 5 20 IIBD Cc1c(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)nnn1-c1cccc2cnccc12 543853207 GRNRMVNSWKTQJN-UHFFFAOYSA-N 442.357 4.303 5 20 IIBD COc1ccc(NC(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 543885452 WUXGOFXVYNTTHY-UHFFFAOYSA-N 440.422 4.218 5 20 IIBD Cc1cc(Br)cn2cc(CNc3ncc([N+](=O)[O-])cc3Br)nc12 544700881 DFNNMILQYIYTNZ-UHFFFAOYSA-N 441.083 4.083 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)n1 544789669 CDBYBXSBJOXGKA-CQSZACIVSA-N 446.385 4.488 5 20 IIBD CCOc1ncc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)cc1Cl 545739539 VVMGZYNJXADKPN-UHFFFAOYSA-N 439.653 4.445 5 20 IIBD CO[C@H](C)c1nc(Cc2noc(-c3cc(Br)c(C)c([N+](=O)[O-])c3)n2)cs1 545825778 ZCCIOHYSWMJISN-SECBINFHSA-N 439.291 4.470 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1OCCc1nc(-c2ccc(Cn3cccn3)cc2)no1 546318991 ZSLPVQXSHTXKPJ-UHFFFAOYSA-N 425.832 4.165 5 20 IIBD O=[N+]([O-])c1ccccc1/C=C/c1nc(Cc2nc(O)c3c4c(sc3n2)CCCC4)no1 546948009 JIBPHYFMOQKYRC-MDZDMXLPSA-N 435.465 4.328 5 20 IIBD O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CC[C@@H](c2ccncc2)C1 552402055 NPJCOOQFTDTJEV-QGZVFWFLSA-N 448.445 4.241 5 20 IIBD CCSc1ccc([C@H](C)NC(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 553465049 LVLFYRHXNZKNKM-HNNXBMFYSA-N 427.526 4.075 5 20 IIBD CCN(CC(=O)Nc1ccccc1C(F)(F)F)c1ncnc2sc([N+](=O)[O-])cc12 557457479 PFUAVVPHTQFIIY-UHFFFAOYSA-N 425.392 4.083 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N(Cc2ccc(Cl)cc2)Cc2cnn(C)c2)c1 558795105 ZTOLNMKQJHJSPJ-UHFFFAOYSA-N 428.876 4.223 5 20 IIBD C/C=C\c1ccc(OC[C@@H](O)COc2c(Br)cccc2[N+](=O)[O-])c(OC)c1 564579219 HYTUJCODJXMKQC-PKXJPQMGSA-N 438.274 4.218 5 20 IIBD COC[C@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1cccc(Cl)c1 570195559 MNNSBIYFCSXYMJ-FQEVSTJZSA-N 433.892 4.189 5 20 IIBD O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[C@@H]1CCCO[C@H]1c1ccc(C(F)(F)F)cc1 580391878 HVGFHKUZQNLCFP-UGSOOPFHSA-N 434.370 4.378 5 20 IIBD COCC[C@@H](NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 583618539 MIGIDIRMRQXQPY-MRXNPFEDSA-N 427.284 4.347 5 20 IIBD CCC(=O)Nc1cccc(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 603920350 ZHENLLNGKLLHMF-UHFFFAOYSA-N 432.480 4.485 5 20 IIBD CSc1ccc(C(=O)N2CCC([C@H](CC(=O)O)c3ccccc3)CC2)cc1[N+](=O)[O-] 604498376 YYXPILCEIDTXCD-GOSISDBHSA-N 428.510 4.427 5 20 IIBD COc1ccc([C@@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)N2CCOCC2)cc1 608835577 ZSLQIWSUGNIXAD-HSZRJFAPSA-N 437.496 4.027 5 20 IIBD COC(=O)c1ccoc1COc1cccc2c1N(C(=O)c1ccc([N+](=O)[O-])cc1)CCC2 608947827 ZKSPPICNOQWJLW-UHFFFAOYSA-N 436.420 4.146 5 20 IIBD Cc1nc(-c2ccc(CCNC(=O)c3cc(O)nc4ccc([N+](=O)[O-])cc34)s2)cs1 609490066 OBZHFZDKRZMNKY-UHFFFAOYSA-N 440.506 4.315 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](c3ccccc3Cl)OC[C@H]2C)cc1OC 609508189 CARNVWLNJIDQMJ-XCLFUZPHSA-N 434.876 4.258 5 20 IIBD CCOc1cc(NC(=O)NC2(c3ccccc3)CCOCC2)c([N+](=O)[O-])cc1OCC 609572860 PNKQTYSCZKFFBS-UHFFFAOYSA-N 429.473 4.220 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC(OCCc2ccccc2)CC1 610042575 IEDDSTRPHLLKPJ-UHFFFAOYSA-N 433.302 4.221 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc(C(C)(C)C(N)=O)cc3)cc2[N+](=O)[O-])C1 610050532 OULPLAFAFGCTSV-HOTGVXAUSA-N 438.528 4.092 5 20 IIBD CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])CC1(c2ccc(Br)cc2)CC1 610161211 PPUWXHVUKFYFPH-UHFFFAOYSA-N 432.318 4.350 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H](c1ccccc1)N1CCCCC1=O 610221008 UEEBQKZESCSYQP-HXUWFJFHSA-N 436.493 4.411 5 20 IIBD Cc1ccc(-c2csc(NC(=O)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)n2)cc1[N+](=O)[O-] 610648923 VDMVIRRNBUSIER-ZDUSSCGKSA-N 445.522 4.172 5 20 IIBD NC(=O)c1ccc(CN[C@H](CC(F)(F)F)c2ccc(Br)cc2)c([N+](=O)[O-])c1 612538953 FUEFNMWDFZALKM-CQSZACIVSA-N 446.223 4.240 5 20 IIBD Cc1ccc(C(=O)c2c(NC(=O)Cc3cccc([N+](=O)[O-])c3)sc3c2CCOC3)cc1 612699535 ZCSSWGPSQDKJEA-UHFFFAOYSA-N 436.489 4.450 5 20 IIBD O=C(Nc1ccccc1-c1noc(-c2c[nH]c3cc([N+](=O)[O-])ccc23)n1)c1ccccn1 612927745 JBXUPHPUCSACAN-UHFFFAOYSA-N 426.392 4.440 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccccc1N=c1cc[nH]cc1 619582187 YRJVGMHRFMRBAX-UHFFFAOYSA-N 427.258 4.099 5 20 IIBD Cc1nn(-c2ccccc2)cc1C(=O)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C 726499903 KMSRLAOZOKKHRE-UHFFFAOYSA-N 446.467 4.190 5 20 IIBD CCCN1CCC(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 726932304 KUOSLYAQGUOOGQ-UHFFFAOYSA-N 444.919 4.105 5 20 IIBD CCOC(=O)N(C)C1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 726956003 NQGCNVRBZPVQLA-UHFFFAOYSA-N 426.473 4.031 5 20 IIBD C[C@@H](Cc1cccc(F)c1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727330145 MVINUOMFVRFKEK-AWEZNQCLSA-N 439.409 4.280 5 20 IIBD Cc1nc(C(C)(C)C)sc1C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730702674 BMGDFAFCRSCSHB-CQSZACIVSA-N 431.514 4.119 5 20 IIBD O=C(Cc1coc2cc3c(cc12)CCC3)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730709359 VPVNGYONQGAMLH-LJQANCHMSA-N 448.475 4.220 5 20 IIBD O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1occc1CSc1ccccc1 731508113 CNVCFCVLHAFWPS-IBGZPJMESA-N 438.461 4.442 5 20 IIBD CS(=O)(=O)Nc1cc2ccccc2cc1C(=O)OCc1cc([N+](=O)[O-])ccc1Cl 734781810 CGRUJIQEHXZYFZ-UHFFFAOYSA-N 434.857 4.130 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-] 734886818 FTIOKIHHQKKACR-QGZVFWFLSA-N 436.917 4.152 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCCCc2nc3ccccc3n2C)CC1 735813434 XEOVIZNIULUJNI-UHFFFAOYSA-N 435.528 4.080 5 20 IIBD Cc1cc(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc(C)c1OCC(=O)N1CCCCC1 741539879 HNHNQFHYDWBISH-GOSISDBHSA-N 439.512 4.094 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1Cc2ccccc2C[C@@H]1c1ccccc1 742775252 AGZHDGHLGCHESG-OAQYLSRUSA-N 446.459 4.121 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c(Cl)c1 744563142 XTOKQNGTPOFPNQ-CQSZACIVSA-N 431.876 4.341 5 20 IIBD O=C(COC(=O)[C@H]1C[C@H]1c1cccc(F)c1F)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 745240943 KCFYCIVMNCMFFF-RYUDHWBXSA-N 444.312 4.177 5 20 IIBD CC[C@@H](OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)Nc1ccc(OC)cc1 747119745 UDZRNPDKASIWDN-MRXNPFEDSA-N 426.347 4.196 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCc2cccc(F)n2)cc1[N+](=O)[O-] 749111699 QVFLTGUXEZDSAK-UHFFFAOYSA-N 425.441 4.012 5 20 IIBD O=C(NCc1cc(Cl)c2c(c1)OCCCO2)c1cc([N+](=O)[O-])ccc1Br 751108924 TXALAYDIEOQPEW-UHFFFAOYSA-N 441.665 4.102 5 20 IIBD C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 754993691 JTLWZSUQKRBNOT-WFASDCNBSA-N 436.281 4.062 5 20 IIBD CCc1nc(-c2ccccc2NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)n[nH]1 756309492 QDMCNARZSWEUET-UHFFFAOYSA-N 434.225 4.096 5 20 IIBD CC1CCN(C(=O)c2ccc(NC(=O)NCc3cc([N+](=O)[O-])ccc3Cl)cc2)CC1 757207154 LTNWTWBXNRVBHS-UHFFFAOYSA-N 430.892 4.442 5 20 IIBD COc1ccc(CC(=O)OCCCC(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 759512886 ZCBWWQPQCIFYFG-UHFFFAOYSA-N 436.258 4.115 5 20 IIBD O=[N+]([O-])c1cc(CSc2nnc(N3CCOCC3)n2-c2cccc(F)c2)ccc1Cl 760150900 SLUVZXCMJDGYQG-UHFFFAOYSA-N 449.895 4.097 5 20 IIBD O=C(OCCCSCc1ccccc1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 761405424 LMALPWZJVZILRG-MRXNPFEDSA-N 434.539 4.128 5 20 IIBD Cc1cc(Cc2noc(-c3ccc(CS(=O)(=O)c4ccccc4)o3)n2)ccc1[N+](=O)[O-] 762306730 VNNCFWQUZYDMRL-UHFFFAOYSA-N 439.449 4.111 5 20 IIBD CCc1ccc(N2C[C@@H](c3nc(Cc4c[nH]c5ccc([N+](=O)[O-])cc45)no3)CC2=O)cc1 762309856 QXZHQHVQISVIKK-INIZCTEOSA-N 431.452 4.133 5 20 IIBD COc1cc(C(=O)OCC(Cl)(Cl)Cl)c([N+](=O)[O-])cc1OCc1cscn1 763022636 WPQQHOIMQWAUHQ-UHFFFAOYSA-N 441.676 4.166 5 20 IIBD Cc1ccc(Br)c(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 764194733 BWCRHUVXXKMEAK-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)c1C 764523040 KAYHLSLXEJXOOD-UHFFFAOYSA-N 439.465 4.499 5 20 IIBD COc1cc(COC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c([N+](=O)[O-])cc1F 766194311 DJDRBTYNEWVGJU-UHFFFAOYSA-N 433.373 4.131 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCO[C@@H](c2cccc(Cl)c2)C1 768623428 ONZTUYUTLDADGW-OAHLLOKOSA-N 443.656 4.364 5 20 IIBD CCN(Cc1ccc(Br)c([N+](=O)[O-])c1)CC1CCN(c2ccccn2)CC1 769466967 RGSBKFJINPQCLC-UHFFFAOYSA-N 433.350 4.491 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 770015624 IPWFGWNXWZGHRL-OLZOCXBDSA-N 426.901 4.405 5 20 IIBD CCC(CC)n1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 770141106 VTYLKFDAODNMTC-LLVKDONJSA-N 442.394 4.355 5 20 IIBD C[C@H](OC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1Cl 774653960 OZTSHKMUVIWYHW-VIFPVBQESA-N 429.281 4.397 5 20 IIBD C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCO[C@H](c2ccc(F)cc2Cl)C1 775732245 UZBKPBFZDSHGAX-VOJFVSQTSA-N 442.274 4.441 5 20 IIBD CSc1ccc(C)c(NC(=O)c2ccc(I)c([N+](=O)[O-])c2)c1 776218186 FSKZGKUFMLPFEH-UHFFFAOYSA-N 428.251 4.482 5 20 IIBD C[C@@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCCN(C2CCC2)C1 781449734 VFKOGCMMDHAZLJ-CHWSQXEVSA-N 425.327 4.132 5 20 IIBD COc1cc(C(=O)OCC(=O)N(C)C(c2ccccc2)c2ccccc2)ccc1[N+](=O)[O-] 783348510 ASUWTRLZIRHJKR-UHFFFAOYSA-N 434.448 4.008 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1ccc(-n2cccc2)cc1 783561364 VWRSZSNLHMBUMW-UHFFFAOYSA-N 431.452 4.486 5 20 IIBD COC(=O)c1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(Br)c1 785544498 WXRQYNQFPILMJT-UHFFFAOYSA-N 442.653 4.119 5 20 IIBD COc1ccc(CCNc2nnc(S/C=C\c3ccc([N+](=O)[O-])o3)s2)cc1OC 789439416 BXTAUKAZQVJPNN-NTMALXAHSA-N 434.499 4.474 5 20 IIBD COc1ccc(OC(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1[N+](=O)[O-] 792113623 MTZMYROZAPCVLX-KUHUBIRLSA-N 430.457 4.411 5 20 IIBD Cc1noc(C)c1-c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cc1 795953614 UDLMSMWYNATFOK-UHFFFAOYSA-N 426.809 4.427 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(F)cc1OCCC(F)(F)F 800353930 GDFXHQNTCXMEAZ-UHFFFAOYSA-N 426.326 4.054 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 801559994 GPCDVJIVTKDTOV-QHCPKHFHSA-N 447.491 4.263 5 20 IIBD O=C(c1cscc1Br)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 803546527 IICVZBJPFPTNRB-UHFFFAOYSA-N 446.120 4.380 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(Oc3c([N+](=O)[O-])cccc3[N+](=O)[O-])cc2)s1 804353133 VDNCVIYKKIVCRG-UHFFFAOYSA-N 435.439 4.466 5 20 IIBD C[C@H](Cc1cncc2ccccc12)C(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 805681982 NIJYVMHVTGGDCI-CYBMUJFWSA-N 427.844 4.157 5 20 IIBD NC(=O)N1CCC[C@@H](CNC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)C1 807814163 SPSSBXYEUNADRY-KRWDZBQOSA-N 441.531 4.454 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(Cc2cc(OC)cc(OC)c2[N+](=O)[O-])no1 809489908 ZXSHXTGKGSSNTM-AWEZNQCLSA-N 442.428 4.230 5 20 IIBD Cn1c(=O)c2ccccc2n2c(SCc3cc(Cl)cc(Cl)c3[N+](=O)[O-])nnc12 809953124 GCYQEFXYLCTPAS-UHFFFAOYSA-N 436.280 4.089 5 20 IIBD COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OC(=O)OC1CCOCC1 810034987 XNLSZCPNBLUCPF-LJQANCHMSA-N 440.452 4.280 5 20 IIBD CCOc1ccc(NCc2cc(I)cc([N+](=O)[O-])c2)cc1OC 810147756 RDGVXYAWEBPIBA-UHFFFAOYSA-N 428.226 4.219 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1-c1nc(-c2ccc(-n3cnc4ccccc43)nc2)no1 904487719 ZZKSEYPAWWUXLC-UHFFFAOYSA-N 427.424 4.112 5 20 IIBD O=C(COC(=O)c1cc(Cl)ccc1Br)Nc1cc(Cl)ccc1[N+](=O)[O-] 913344292 RLHMLRBPYKUBBF-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD Cc1nc(-c2cccs2)c(CC(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)s1 914797480 NGVWEDSOEFYJDD-UHFFFAOYSA-N 442.478 4.424 5 20 IIBD C[C@H](NC(=O)COC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccc(Cl)c(Cl)c1 917332042 XQOSLEQYVFXRLO-JTQLQIEISA-N 436.251 4.417 5 20 IIBD Cc1ccccc1CN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 917336616 FUEGWCWGOXGVSI-UHFFFAOYSA-N 436.556 4.288 5 20 IIBD C[C@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cccc(NC(=O)c2ccccc2)c1 918193410 DZDOXGWFPJOEMN-AWEZNQCLSA-N 443.456 4.026 5 20 IIBD COc1cccc(CN2CCC(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC2)c1 918350507 IBWZSGSJLLAYIZ-UHFFFAOYSA-N 425.510 4.213 5 20 IIBD O=C(COC(=O)c1cc(-c2ccccc2)no1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 919188183 PDNLNPZSRNRINY-UHFFFAOYSA-N 435.314 4.064 5 20 IIBD CSc1ccccc1NC(=O)[C@@H](C)OC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 920778524 SRDXCLLHDYQRSI-VXGBXAGGSA-N 438.889 4.308 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2c2nnc([C@@H](C)CN3CCC(C)CC3)o2)ccc1[N+](=O)[O-] 1117250678 LYLYTMGGPVXSIC-PXNSSMCTSA-N 441.532 4.099 5 20 IIBD CC(C)(C)OC(=O)NCc1ccccc1CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O 1318846632 FPVPXHOQYIFILR-UHFFFAOYSA-N 442.472 4.188 5 20 IIBD Cc1ccccc1CCC(=O)NC1(c2ccc(NC(=O)c3nc[nH]c3[N+](=O)[O-])cc2)CCC1 1788613484 OPBOQHVFBCGFJA-UHFFFAOYSA-N 447.495 4.007 5 20 IIBD Cc1cc(CCCC(=O)N2CCCC23CN(C(=O)[C@@H]2CCC[C@@H]2C)C3)c([N+](=O)[O-])cc1F 1841507014 HPCDMYGOXXACRB-QFBILLFUSA-N 445.535 4.005 5 20 IIBD CC(C)=CCCC(=O)N1CC2(CCCN2C(=O)CCCc2cc(C)c(F)cc2[N+](=O)[O-])C1 1841507400 YXCBUKOLKFPEAU-UHFFFAOYSA-N 445.535 4.315 5 20 IIBD CSc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] 9621676 RYQQGVKRSASIKJ-JTQLQIEISA-N 426.397 4.102 5 20 IIBD O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 15632635 BIULKWCGYLCQPZ-UHFFFAOYSA-N 445.279 4.465 5 20 IIBD Cc1c(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cccc1[N+](=O)[O-] 15790830 OYTHLKILNMHICN-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 21905982 IZZKOWGZHGSFFU-HSZRJFAPSA-N 431.492 4.145 5 20 IIBD CCNc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCN(CC)CC2)cc1[N+](=O)[O-] 23139341 WXSDZZSKZOJFNJ-UHFFFAOYSA-N 431.924 4.074 5 20 IIBD C[C@@H](c1ccc(F)c(F)c1)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br 23666411 ALNRKTCCOLSBEF-JTQLQIEISA-N 428.233 4.267 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)Nc3ccc(OCC(N)=O)cc3)cc2[N+](=O)[O-])cc1 31183597 UHGYEIVBDLTSAO-UHFFFAOYSA-N 437.477 4.171 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cccc(COC2CCCCC2)c1)c1cccc([N+](=O)[O-])c1 65571178 FLVBLTNTSQETDL-INIZCTEOSA-N 425.485 4.260 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(CCCO)C(c1ccccc1)c1ccccc1 111218358 PISKALNVMNBTCJ-UHFFFAOYSA-N 433.508 4.316 5 20 IIBD COc1ccc(N(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C(C)C)cc1F 116568864 ISEKABJSVNFZKY-UHFFFAOYSA-N 445.476 4.077 5 20 IIBD O=[N+]([O-])c1cc(CNCc2cccnc2N2CCOCC2)ccc1Oc1ccc(F)cc1 237881425 PVCKFEFLKHBXAB-UHFFFAOYSA-N 438.459 4.048 5 20 IIBD Cc1nn(-c2ccccc2)cc1CCCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 237896277 SZXYBGJNNKINIY-UHFFFAOYSA-N 430.512 4.212 5 20 IIBD CS(=O)(=O)c1ccc(NCc2ccc(-c3nc4ccccc4s3)o2)c([N+](=O)[O-])c1 301090928 NFCISOOWFUSYAE-UHFFFAOYSA-N 429.479 4.480 5 20 IIBD Cc1ccc(-c2nnc(Sc3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])o2)cc1 301229453 GYQDJVIXGFXRLW-UHFFFAOYSA-N 427.410 4.101 5 20 IIBD Cn1ccnc1C(=O)c1ccc(Sc2nnc(NC3CCCCC3)s2)c([N+](=O)[O-])c1 301282245 UHTNZJXUCHDVRC-UHFFFAOYSA-N 444.542 4.307 5 20 IIBD Cc1cc(NCc2ccc(S(=O)(=O)N(C)C(C)C)cc2)c2cccc([N+](=O)[O-])c2n1 302033104 SSMRGPWAUXRPHW-UHFFFAOYSA-N 428.514 4.092 5 20 IIBD O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 409560917 IGYLKNAGXPGFEG-UHFFFAOYSA-N 443.428 4.462 5 20 IIBD C[C@H]1CCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])[C@H](C(N)=O)C1 428623180 OOLJTEWYRGFCPT-LRDDRELGSA-N 433.917 4.125 5 20 IIBD O=C(c1cc(NC[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)ccc1[N+](=O)[O-])N1CCCC1 428679479 INIOPQDQMYJYIW-ISKFKSNPSA-N 441.503 4.156 5 20 IIBD CCOc1cc2c(cc1NC(=O)Nc1cc(OCC)c(OCC)cc1[N+](=O)[O-])OCCO2 429275744 VYEJMBWACRNLPT-UHFFFAOYSA-N 447.444 4.206 5 20 IIBD O=C(Nc1ccc(NC(=O)c2ccccc2)nc1)c1cc(Br)cc([N+](=O)[O-])c1 431606756 GKNXYNBYLXVZSH-UHFFFAOYSA-N 441.241 4.257 5 20 IIBD Cc1c(CN2C(=O)CN([C@@H](C)c3cccc(Br)c3)C2=O)cccc1[N+](=O)[O-] 431733594 RQLIWDMBQJEQCU-ZDUSSCGKSA-N 432.274 4.191 5 20 IIBD CCCOc1cc(NC(=O)NCc2ccc3nc(O)[nH]c3c2)c([N+](=O)[O-])cc1OCCC 432919005 QLMMQLIDEHRXMS-UHFFFAOYSA-N 443.460 4.076 5 20 IIBD COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] 433264717 BZDAPUCXWKVLAB-UHFFFAOYSA-N 442.516 4.275 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccc(O)c([N+](=O)[O-])c1 436950355 USFFZZHQLXNOLP-UHFFFAOYSA-N 447.856 4.007 5 20 IIBD O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437090917 FBWHEDDUFUAUGR-UHFFFAOYSA-N 426.860 4.422 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 437488544 DIPJTIROYOHQMR-IAGOWNOFSA-N 431.920 4.139 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437601290 KYSNYFMQIZLDPE-HXUWFJFHSA-N 429.904 4.194 5 20 IIBD C[C@@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1nc(-c2cccc(F)c2)no1 437986345 NWEUAHRZBPJYJK-CYBMUJFWSA-N 425.420 4.219 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)N(C)[C@H](C)c2cc(F)ccc2F)cc1[N+](=O)[O-] 439252438 ZLTYGZVCOINZHN-SNVBAGLBSA-N 449.273 4.326 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 439937573 YKPQJFOZMIBJGG-CYBMUJFWSA-N 427.461 4.160 5 20 IIBD CC[C@@H](CN(CC)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1 441915111 OIDAYETWOQJTAQ-AWEZNQCLSA-N 435.427 4.177 5 20 IIBD Cc1ccc(CNCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)cc1S(C)(=O)=O 443986265 IFCMVFVRIRKXAJ-UHFFFAOYSA-N 439.537 4.364 5 20 IIBD Nc1nc(C2CC2)ncc1-c1noc(-c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n1 445599932 HPIXFUVEZBKNJH-UHFFFAOYSA-N 429.440 4.174 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(-c2nc(CS(=O)(=O)C3CC3)no2)cc1 445759424 MKIBOYLVJBPFSK-UHFFFAOYSA-N 435.845 4.168 5 20 IIBD CO[C@@H]1CCCC[C@H]1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 460590925 FOUYNSMZWZQABI-FGZHOGPDSA-N 434.496 4.064 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](C)C(c1ccccc1)c1ccccc1 464015472 YENKYVDPHLQCGS-GOSISDBHSA-N 431.492 4.487 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)c2ncccc12 464183147 BEMVHMWUOXWHPL-AWEZNQCLSA-N 443.378 4.254 5 20 IIBD COCc1ccc([C@H]2CCCN2Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])o1 467022368 LWWRWOTWNNKCOD-OAHLLOKOSA-N 426.416 4.324 5 20 IIBD Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl 467347868 PSZLBRXASJGBFE-UHFFFAOYSA-N 448.932 4.067 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1cc(F)ccc1Oc1ccccc1 467856213 PAJALWDWOKZLBC-UHFFFAOYSA-N 443.818 4.435 5 20 IIBD CC(C)(C)[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c2ccccc21 470300649 YZDQPIZATPDNNW-RDJZCZTQSA-N 427.526 4.437 5 20 IIBD O=C(N[C@@H](CCO)c1ccco1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 470560153 UCIXFXGRYMYTKD-SFHVURJKSA-N 429.860 4.307 5 20 IIBD Cc1ccc([C@H](OC[C@@H](O)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)c2ccccc2)cc1 470877529 KZRBXNUQFLHQDP-WIOPSUGQSA-N 444.491 4.329 5 20 IIBD CSc1cc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(Cl)cc1Cl 472068878 RKTLUXXQKDBKMP-JTQLQIEISA-N 427.313 4.345 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCCCOc1ccc2ccccc2c1 474755372 HGZMYVKODJLGEB-UHFFFAOYSA-N 449.463 4.021 5 20 IIBD Cc1nc(CN(C)[C@@H]2CCCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)no1 475621777 GVQURAJXKCOXFR-QGZVFWFLSA-N 425.489 4.033 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)c1C 476424299 OGGVCQRXBKSBDP-UHFFFAOYSA-N 432.433 4.079 5 20 IIBD COc1cc(CCNC(=O)[C@@]2(Cc3ccccc3)C[C@H]3CC[C@H]2C3)c([N+](=O)[O-])cc1OC 477197260 USCKHMVYQKUXBY-KHOMTPLRSA-N 438.524 4.320 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)NCc2cc(Br)ccc2Br)c1 478078129 DGHVWPJVILHYGH-UHFFFAOYSA-N 444.079 4.058 5 20 IIBD CC(=O)C[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 478225691 AQXQEJPZVWAMOD-INIZCTEOSA-N 434.901 4.220 5 20 IIBD CCc1cc(Br)ccc1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 478628920 FOJFBFXWKFZABJ-UHFFFAOYSA-N 448.273 4.247 5 20 IIBD CN(Cc1ccc(Br)cc1Cl)C(=O)NCCc1ccc([N+](=O)[O-])cc1 479004249 WJHDKMCHMPYMJV-UHFFFAOYSA-N 426.698 4.395 5 20 IIBD C[C@H](C(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O)c1ccc([N+](=O)[O-])cc1F 480424622 GCAXWQZPUBPOQF-GMCXQERESA-N 427.259 4.261 5 20 IIBD COc1ccc(CNC(=O)[C@@H](C)Cc2ccc(F)c(Br)c2)cc1[N+](=O)[O-] 480563325 LCMYDKUROGITLX-NSHDSACASA-N 425.254 4.000 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N[C@H](CO)c2c(Cl)cccc2Cl)c([N+](=O)[O-])c1 481047233 ZVIMTXOZSIQOKQ-OAHLLOKOSA-N 435.267 4.012 5 20 IIBD CCC(=O)Nc1ccc(C)c(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c1 481878724 HYUHDHPGHHPLPR-UHFFFAOYSA-N 435.484 4.366 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1SC 482036816 HANHUIYVBULFAK-UHFFFAOYSA-N 427.438 4.423 5 20 IIBD O=C(NCC(F)(F)F)c1ccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 483028991 PMDSRMGJDSBOHD-UHFFFAOYSA-N 436.390 4.083 5 20 IIBD CCOc1cc(Br)c(F)cc1NC(=O)CCOc1ccccc1[N+](=O)[O-] 485180993 WFXKOWBAPZOVFQ-UHFFFAOYSA-N 427.226 4.303 5 20 IIBD O=C(NCCCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1cccs1 486274871 ZLQZTBHRYCCKCE-UHFFFAOYSA-N 441.534 4.357 5 20 IIBD O=C(Nc1ccc(Oc2cccc(F)c2F)nc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 487113101 MBCNDRJIHWQNBV-UHFFFAOYSA-N 437.362 4.498 5 20 IIBD COc1ccc(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(Br)c1O 487187951 PTPAFXRBGQPBMK-UHFFFAOYSA-N 435.196 4.380 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1nc(-c2ccc(-n3cccn3)cc2)cs1 487595864 QHYJIRZKUXLOTO-UHFFFAOYSA-N 444.476 4.497 5 20 IIBD C[C@H](NC(=O)[C@](N)(c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 488010103 AKJLFHIOCHZJRT-MGPLVRAMSA-N 435.324 4.207 5 20 IIBD CN(Cc1ccc(Br)cc1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 488017289 XWIVRICGKMMRNY-UHFFFAOYSA-N 426.698 4.395 5 20 IIBD O=C(Nc1ccc(Sc2nncs2)c(Cl)c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 488972778 KPRIABTXNQEPIR-UHFFFAOYSA-N 436.858 4.232 5 20 IIBD CC(C)(CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 497321041 UDGPCNTZFALNAC-UHFFFAOYSA-N 438.311 4.116 5 20 IIBD Cc1c(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cccc1C(=O)Nc1ccccc1 498486320 SMZDFIJFIMTGBD-UHFFFAOYSA-N 433.420 4.179 5 20 IIBD COc1cccc(-n2nc(C)c([C@H]3COCCN3c3ccc(F)cc3[N+](=O)[O-])c2C)c1 500892094 PNFXRKVQGCQBEM-OAQYLSRUSA-N 426.448 4.123 5 20 IIBD C[C@@H](COc1ccc(F)cc1F)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 500995323 NAOJZCPEXSNJNN-JTQLQIEISA-N 434.317 4.011 5 20 IIBD O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H]1c1cc(F)cc(Br)c1 505245237 QUCYMNFYOYKGKY-MRXNPFEDSA-N 433.237 4.350 5 20 IIBD CCCC[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(N2CCCC2)c1 505536799 SXBGZNJKGITQQJ-NRFANRHFSA-N 438.528 4.051 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC([C@H](F)c2ccccc2F)CC1 506567440 RSJUWXXRHPXTHK-FQEVSTJZSA-N 447.438 4.021 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCC(C)(C)N2CCCCC2)cc1[N+](=O)[O-])c1ccccn1 507221628 MIWCXVBBRWHMNM-KRWDZBQOSA-N 425.533 4.157 5 20 IIBD COCc1nc(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c(-c2ccccc2)s1 508364936 XOBKTFZMJSXPCZ-UHFFFAOYSA-N 449.435 4.396 5 20 IIBD Cc1c(NC(=O)N[C@@H](C)c2cc3c(cc2Br)OCCO3)cccc1[N+](=O)[O-] 511214767 QQNBRIWBACHUBK-NSHDSACASA-N 436.262 4.320 5 20 IIBD CN(Cc1c(F)cccc1Cl)C(=O)c1ccc([N+](=O)[O-])cc1I 511583093 XHLILPZUKYNORG-UHFFFAOYSA-N 448.619 4.264 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(I)c(F)c1 511781473 ODBMSVYJIALWKW-UHFFFAOYSA-N 442.228 4.389 5 20 IIBD C[C@@H](N[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1)c1cccc([N+](=O)[O-])c1 515717381 GORNZRACHBESHU-MWTRTKDXSA-N 433.464 4.032 5 20 IIBD COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CSc2ncccc2[N+](=O)[O-])cc1 516715177 SPBLHUNBJXDBAO-NRFANRHFSA-N 448.504 4.468 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CCC[C@H]2c2cccc(F)c2)c1 520883778 WBUDTFPTDCFFEI-INIZCTEOSA-N 429.267 4.022 5 20 IIBD Cc1ccc(C(=O)c2c(NC(=O)Cn3cc([N+](=O)[O-])nc3C)sc3c2CCCC3)cc1 520970978 PIROPAHZVYYKAR-UHFFFAOYSA-N 438.509 4.218 5 20 IIBD COc1ccc(CN2CC[C@@H](NCc3ccc(-c4ccccc4[N+](=O)[O-])s3)C2=O)cc1 522371981 KXCKGUIVSXWZHB-HXUWFJFHSA-N 437.521 4.223 5 20 IIBD O=C(CCNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)NC1CCCCC1 522709589 QCVJRXSOUFKUPD-UHFFFAOYSA-N 426.473 4.348 5 20 IIBD Cc1cnn(-c2ccc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cc2F)c1 522896949 IZXIBAKLBVGZTF-UHFFFAOYSA-N 426.451 4.427 5 20 IIBD CCOc1cc(C(=O)NCc2ccc(OC3CCCCC3)nc2)c([N+](=O)[O-])cc1OC 523682785 PLPWHCYLOLWOOZ-UHFFFAOYSA-N 429.473 4.039 5 20 IIBD CC(C)[C@@H](NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Cl)cc1 524881823 VJXCHADFRZRILL-HXUWFJFHSA-N 444.919 4.113 5 20 IIBD CC(C)c1nc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)nn1-c1ccccc1F 525144761 IXJVIXCHEYLNLK-UHFFFAOYSA-N 425.464 4.489 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)c1 525155639 SWKIEJYCQLREGO-UHFFFAOYSA-N 446.301 4.157 5 20 IIBD CN(C)c1nc2sc(C(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)cc2s1 525215777 QRYUUJGZQICUDV-UHFFFAOYSA-N 432.527 4.016 5 20 IIBD CN(C(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2)c1cccc([N+](=O)[O-])c1 532825054 ITUXHDLOMZQXEZ-UHFFFAOYSA-N 441.285 4.308 5 20 IIBD Cc1cc(Sc2nnc(C3CCNCC3)n2C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 533785356 ZXPHVHWNZOVYAF-UHFFFAOYSA-N 439.545 4.151 5 20 IIBD CCn1cc(S(=O)(=O)Nc2ccc([C@@H](C)Sc3ccccc3)cc2)c([N+](=O)[O-])n1 535233793 NELQTAVVZVZZCC-CQSZACIVSA-N 432.527 4.465 5 20 IIBD CCOC(=O)c1nc(-c2ccccc2)oc1Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 538171832 VVKFUOJJBJWKRA-UHFFFAOYSA-N 426.816 4.478 5 20 IIBD CC(C)CN(C(=O)CCNC(=O)c1ccco1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 538253491 HHBDHOLELAHSAU-UHFFFAOYSA-N 442.497 4.120 5 20 IIBD CO[C@H](c1ccccc1F)[C@H](C)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 538424440 GFMIDRSFWLRZBQ-GTNSWQLSSA-N 430.354 4.181 5 20 IIBD CCCN1C(=O)CCc2cc(NC(=O)c3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])ccc21 539152486 OKJUIQZOZDEDFM-UHFFFAOYSA-N 449.410 4.146 5 20 IIBD COc1cc([C@H](C)NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)ccc1OC1CCCC1 540352489 OFHPUDYAPOLSOP-INIZCTEOSA-N 439.512 4.165 5 20 IIBD O=C(NCc1cccnc1-n1cccn1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 541679083 IDDCPEIISZAFSB-UHFFFAOYSA-N 437.525 4.388 5 20 IIBD Cc1ccc(CN(CCO)C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 542181925 AWCRHAJLLJMOKO-GOSISDBHSA-N 434.496 4.106 5 20 IIBD Cc1nc(SCc2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)c2c(C)c(C)sc2n1 544931934 ZPWJEUIPUCBLGH-UHFFFAOYSA-N 428.499 4.449 5 20 IIBD O=[N+]([O-])c1ccc2c(-c3nc(-c4cc(C(F)(F)F)ccc4-n4cncn4)no3)c[nH]c2c1 545744922 IVRXTEQVIZUXJZ-UHFFFAOYSA-N 441.329 4.393 5 20 IIBD O=[N+]([O-])c1ccccc1OCc1nc(Cc2c[nH]c3ccc(Br)cc23)no1 546397535 YGXMJLAJUWSNQI-UHFFFAOYSA-N 429.230 4.391 5 20 IIBD CCCCCn1nc(-c2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)c2ccccc2c1=O 546558752 BFIMBMXVMDHXFP-UHFFFAOYSA-N 433.468 4.444 5 20 IIBD COc1cc(NC2CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)CC2)cc(OC)c1 546565043 NGAGTKWZBZCYNY-UHFFFAOYSA-N 445.491 4.132 5 20 IIBD Cc1nnc([C@H](C)N[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)s1 546756116 NCUUOPCJCKQSPS-APPDUMDISA-N 431.905 4.439 5 20 IIBD Cc1cc(Cc2noc([C@H]3CC(=O)N(c4ccc(Cl)c(F)c4)C3)n2)ccc1[N+](=O)[O-] 547262977 MNYBVWWEPMWOCL-ZDUSSCGKSA-N 430.823 4.190 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(CN2CCCC2=O)cc1 550220446 KKUQDLOOACHBKL-UHFFFAOYSA-N 432.274 4.040 5 20 IIBD O=C(CN1CCCn2c(cc3ccccc32)C1)Nc1ccc([N+](=O)[O-])cc1Br 554304882 ATPSJHKXHSGSKG-UHFFFAOYSA-N 443.301 4.156 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1 560654341 XLINZWFZBXYLKJ-UGSOOPFHSA-N 437.265 4.312 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O 560700089 AVHXTMBZBLESIK-UKXQOQQMSA-N 425.323 4.067 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 561194789 VXAKNXHDLRSWOH-GUDVDZBRSA-N 430.888 4.048 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNCc2cnc3n2CCCC3)cc1 565554174 OIDVKKLKKGHKKL-UHFFFAOYSA-N 428.496 4.270 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC(C)(C)[C@H]3c3cnn(C)c3)cc2[N+](=O)[O-])C1 571207721 FVSUQIIDYCSWMJ-VWKPWSFCSA-N 425.533 4.034 5 20 IIBD CC(C)Oc1cccc([C@@H](C)NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 571423720 KBGUGUBAGYXLKX-OAHLLOKOSA-N 427.501 4.495 5 20 IIBD COc1cc(C(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)c([N+](=O)[O-])cc1OC 571628335 IPAUCQARIZZHCN-UHFFFAOYSA-N 433.873 4.319 5 20 IIBD C[C@H](C(=O)NCCc1ccc(OCCN2C[C@@H](C)[C@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 571705571 WIQHMDVEOBHVPP-AQNXPRMDSA-N 439.556 4.024 5 20 IIBD COc1cc(Br)ccc1Oc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] 579517690 PNXIBISHPUGIJR-UHFFFAOYSA-N 432.230 4.123 5 20 IIBD COC(=O)C[C@@H](C)CC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 584677910 UVXKDSJVUJBTPX-LBPRGKRZSA-N 438.839 4.385 5 20 IIBD CSc1nc(C(F)F)cc(N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 584810457 PWNRKNLXXDWUKW-UHFFFAOYSA-N 449.405 4.390 5 20 IIBD Cc1cc(Cc2noc(Cc3cc4c(cc3Br)OCCO4)n2)ccc1[N+](=O)[O-] 589136132 JNYONMUZZAELPC-UHFFFAOYSA-N 446.257 4.002 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 591719315 KCPYHTDCXBAHLG-UHFFFAOYSA-N 439.428 4.304 5 20 IIBD COC(=O)c1cc(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc([N+](=O)[O-])c1 603572863 JLNMOGZTLWGJAU-QWRGUYRKSA-N 442.312 4.021 5 20 IIBD COc1ccc(CCC(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)cc1OC 603613730 MHJWFRQCJOAXDA-UHFFFAOYSA-N 426.391 4.136 5 20 IIBD Cc1cccc(OC[C@H](O)CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)c1 604419157 WLBCAQSDOVKNID-LJQANCHMSA-N 426.444 4.364 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 604442611 LUZVOJVDWDYWMO-HNNXBMFYSA-N 428.876 4.134 5 20 IIBD Cc1cc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)cc([N+](=O)[O-])c1 604449068 NQAGQLUDKGAIHZ-UHFFFAOYSA-N 447.419 4.235 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NCc2ccnc(Oc3ccccc3)c2)c([N+](=O)[O-])c1 604473112 ABTYBGGFQHEXLQ-UHFFFAOYSA-N 429.436 4.359 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)cc1OC 604519287 ZQMOVYDRSXRXSF-VGOFRKELSA-N 428.485 4.242 5 20 IIBD COC(=O)c1ccc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(OCC(F)(F)F)c1 609082105 KVGLTMLGNQWTGM-NSHDSACASA-N 441.362 4.205 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CCCO[C@@H](c4ccccc4)C3)cc2)c(C)c1[N+](=O)[O-] 609230820 QBRUYXXRXDOMBK-JOCHJYFZSA-N 434.496 4.060 5 20 IIBD O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1csc(-c2cccc(Cl)c2)n1 609549780 JAKSAOBVKUDAPS-UHFFFAOYSA-N 426.845 4.409 5 20 IIBD Cc1ccc(C(=O)N2CCC[C@H](C(=O)N3CCS[C@H]3c3ccc([N+](=O)[O-])cc3)C2)cc1 610210519 ZGRKVEYYTPECDW-CVDCTZTESA-N 439.537 4.030 5 20 IIBD CC(=O)Nc1c(C)ccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1C 610316199 GOFNYNPNONCLPK-UHFFFAOYSA-N 432.285 4.278 5 20 IIBD CCOC(=O)c1nnc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)s1 610871936 RFFVAWBANDFAPL-UHFFFAOYSA-N 448.844 4.321 5 20 IIBD CS(=O)(=O)c1cccc([C@H](Nc2ncnc3ccc([N+](=O)[O-])cc23)c2ccccc2)c1 611709985 YMLRCGJDXBOGKE-OAQYLSRUSA-N 434.477 4.143 5 20 IIBD CCn1ccc(CN(C)C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c1 616482947 VYZUUTFHERFNRX-UHFFFAOYSA-N 443.507 4.470 5 20 IIBD CC(C)c1ccc(OC2CCN(C(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)cc1 618616889 LMZVMQHXSYVEKW-UHFFFAOYSA-N 437.500 4.348 5 20 IIBD COCCOc1ccc(Cc2noc(-c3ccc4[nH]c5ccccc5c(=O)c4c3)n2)cc1 685333521 NPEYDONAFVBHPZ-UHFFFAOYSA-N 427.460 4.347 5 20 IIBD COc1cc(CNCCSc2ncc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])cc1O 725848622 ZEHRINCNCRPGTB-UHFFFAOYSA-N 437.827 4.258 5 20 IIBD Cc1nc(-c2ccsc2)ccc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 726229715 DTYUXSPZGQKUGY-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)OCc2ccccc2Br)ccc1[N+](=O)[O-] 726677026 YYIOQNHSDGFKFT-SFHVURJKSA-N 447.285 4.014 5 20 IIBD C[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cccc([N+](=O)[O-])c1 728922822 ANQFCHFRTAIXCV-INIZCTEOSA-N 432.498 4.078 5 20 IIBD Cc1nc(-c2ccccc2)c(C(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)s1 729192371 GZALYOFVYZQFGD-UHFFFAOYSA-N 438.509 4.495 5 20 IIBD COc1ccc(CC(=O)Oc2ccc(NC(=O)c3sccc3C)cc2)cc1[N+](=O)[O-] 729217525 PSSWAEVAHYBFRB-UHFFFAOYSA-N 426.450 4.374 5 20 IIBD Cc1nc2c(c(O)nn2C)c(C)c1CC(=O)OCc1nc2ccccc2c2ccccc12 729755496 YMPHCKJHWTYEDV-UHFFFAOYSA-N 426.476 4.278 5 20 IIBD Cn1c(C(=O)O[C@H](c2cc(Br)ccc2F)C(F)(F)F)ccc1[N+](=O)[O-] 730403883 BOLZBRZVLFBZIF-GFCCVEGCSA-N 425.132 4.295 5 20 IIBD CC(C)c1nccn1Cc1cccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 731147696 PQEXBNGQANGCRQ-UHFFFAOYSA-N 434.905 4.417 5 20 IIBD COC(=O)[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])Cc1ccc2ccccc2c1 733176639 DYFIIXVZCHYUPH-KRWDZBQOSA-N 426.856 4.163 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 733196129 GVIODOGMNZBHCK-RBSFLKMASA-N 431.493 4.036 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2cccc(CSC3CCOCC3)c2)cc1[N+](=O)[O-] 734802875 MTIOCARXPJNYPH-UHFFFAOYSA-N 431.470 4.476 5 20 IIBD COc1nn(C)c2nc(C)c(CCC(=O)Nc3cc([N+](=O)[O-])c(Cl)cc3C)c(C)c12 735802661 BHQAYKYLYUHXMY-UHFFFAOYSA-N 431.880 4.035 5 20 IIBD COc1cc(Br)c(COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1OC 740390774 XIMQWJPVPYMDTR-UHFFFAOYSA-N 438.274 4.396 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N2CCC3(CCCC3)C2)cc1 742878410 URCYHVKCIXHYBZ-UHFFFAOYSA-N 444.509 4.077 5 20 IIBD Cc1ccc(C2=CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Br)CC2)cc1 746621926 XXDIHPXRNKCLJS-UHFFFAOYSA-N 437.315 4.144 5 20 IIBD CCNc1ccc(C(=O)OCC(=O)Nc2ccc(N3CCCCCC3)cc2)cc1[N+](=O)[O-] 747814036 MKRFQPYQHVPGEO-UHFFFAOYSA-N 440.500 4.203 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CCCN(c2ccccc2)CC1 750841868 UCHFGEKUVCWSHR-UHFFFAOYSA-N 438.709 4.363 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c(Cl)c1 751359243 IVXHQJGUAKJQHY-SFHVURJKSA-N 445.324 4.036 5 20 IIBD C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 752341443 WRMFKQPAILRNKE-UONOGXRCSA-N 446.529 4.094 5 20 IIBD CN(CCCc1cc(-c2ccccc2)no1)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O 752789644 NPFFGDRWUYFFOL-UHFFFAOYSA-N 435.484 4.014 5 20 IIBD O=[N+]([O-])c1cn(CN2CCC[C@@H](COc3ccccc3Cl)C2)nc1-c1ccncc1 753963703 QBAFOMLBKXMDHE-MRXNPFEDSA-N 427.892 4.255 5 20 IIBD O=C(NCC1(c2cccc(F)c2F)CCCC1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 756264600 MDUHJFUGTFBCFU-UHFFFAOYSA-N 437.830 4.093 5 20 IIBD CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)O[C@H](C)C2 756993819 YJDJQSZOESPXTI-PZPSRYQVSA-N 430.888 4.390 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Br)cc2c1OCC2 758152010 ZMWILWZGMOONGS-UHFFFAOYSA-N 447.694 4.055 5 20 IIBD Cc1cc(F)cc(C(=O)Nc2nccn2Cc2ccc(Br)cc2)c1[N+](=O)[O-] 758587749 QVRZALXDYQPEDR-UHFFFAOYSA-N 433.237 4.302 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cnn2c(-c3ccccc3)ccnc12 760492869 WAYCTQXIMVNGBH-UHFFFAOYSA-N 441.403 4.317 5 20 IIBD Cc1c(O)nc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nc1-c1ccccc1 763175947 HBIOTLABUDSTEC-UHFFFAOYSA-N 430.873 4.450 5 20 IIBD COC(=O)c1ccc(OC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1[N+](=O)[O-] 763698482 CQAQIJBOYTZYQZ-UHFFFAOYSA-N 430.800 4.228 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 763814929 RHDOEQUSSTVHSQ-UHFFFAOYSA-N 439.833 4.064 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1nc(-c2ccc(F)c(F)c2)no1 768002515 ZTLSRSRARYPBHO-UHFFFAOYSA-N 447.397 4.226 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)cs1 768848889 MLRDSFUNAHDGLZ-UHFFFAOYSA-N 433.298 4.009 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)O[C@H](C)C(=O)Nc1ccccc1Br 769887195 JLUCHOSHDVMXMH-CYBMUJFWSA-N 435.274 4.467 5 20 IIBD O=C(CCCOc1ccc2c(c1)CCC(=O)N2)Nc1ccc(Br)c([N+](=O)[O-])c1 770322956 BSSWERQMOOGEKK-UHFFFAOYSA-N 448.273 4.040 5 20 IIBD Cc1c(C(=O)N[C@H](C)[C@@H](O)c2c(Cl)cccc2Cl)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 771728896 WKKHZDNUJRUXHZ-BMLIUANNSA-N 442.255 4.279 5 20 IIBD COc1cc(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc(OC)c1Br 776025013 LPPJBISWXWYLHQ-UHFFFAOYSA-N 444.669 4.350 5 20 IIBD O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 776587949 RXCYSWJYPFQHHQ-MOPGFXCFSA-N 438.311 4.428 5 20 IIBD CCn1c(SCC(=O)OCc2ccc([N+](=O)[O-])cc2Cl)nnc1-c1cccs1 778094450 BSSZOIJCXMQUFM-UHFFFAOYSA-N 438.918 4.424 5 20 IIBD Cn1cnnc1Sc1ccc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc1Cl 778257204 SQRIJZJKWRTICC-UHFFFAOYSA-N 439.831 4.258 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(O)(c2c(F)cccc2F)CC1 779244997 PMCSOFFVMSBWDM-UHFFFAOYSA-N 436.480 4.499 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] 780047634 RYXMPHIAGUGAQH-HXUWFJFHSA-N 440.887 4.264 5 20 IIBD C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781252458 LWBXYJHVNHHOLB-DJJJIMSYSA-N 433.848 4.078 5 20 IIBD CCOc1cc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c([N+](=O)[O-])cc1OCC 781591978 VZONDZFJGHXLGD-UHFFFAOYSA-N 441.343 4.154 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(-c2noc(C(F)F)n2)cc1 781642438 PUBAWYAKYXHKQH-UHFFFAOYSA-N 433.327 4.062 5 20 IIBD Cc1cc(-c2noc(COC(=O)c3cccc([N+](=O)[O-])c3Br)n2)ccc1F 781678015 MOLCZQMYMBQDJC-UHFFFAOYSA-N 436.193 4.212 5 20 IIBD O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 782538712 YPYYSPPPGQIYMS-NSHDSACASA-N 447.211 4.050 5 20 IIBD CC[C@@H](OC1CCCC1)C(=O)O[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 785931258 DVFZKKAYFNOFOE-SCLBCKFNSA-N 447.513 4.326 5 20 IIBD CCn1c(SCC(=O)OCc2ncc(C)c([N+](=O)[O-])c2C)nnc1-c1cccc(C)c1 789439555 AHZWPCMQSVKMCL-UHFFFAOYSA-N 441.513 4.029 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N(Cc2ccc(F)cc2)CC2CC2)cc1[N+](=O)[O-] 792984380 KZLBKSJPTJRDQH-UHFFFAOYSA-N 427.476 4.409 5 20 IIBD CCC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c1 794595172 LQTIJOCWZRZWLH-UHFFFAOYSA-N 447.694 4.404 5 20 IIBD CN(Cc1nc2ccccc2s1)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O 795406696 TYZORQNGORTYLH-UHFFFAOYSA-N 447.314 4.012 5 20 IIBD COc1cc(Cc2noc([C@@H]3Cc4cc(Br)ccc4O3)n2)ccc1[N+](=O)[O-] 809435469 XWGOKABYVAEBTM-INIZCTEOSA-N 432.230 4.016 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cccc(CNC(=O)OC(C)(C)C)c3)n2)c1 809475903 BEDBIIMWFYKDED-UHFFFAOYSA-N 440.456 4.269 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(N3CCCCC3=O)cc2)cc1OC 811003586 GRTVUAUWIOVMRO-OAHLLOKOSA-N 441.484 4.010 5 20 IIBD Cc1ccccc1[C@@H](CC(=O)OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])NC(N)=O 811075098 PXJILNXBNDCCLQ-OAHLLOKOSA-N 426.256 4.053 5 20 IIBD CCOc1ccc([C@@H](O)C2CCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)CC2)cc1 812668725 IRIXJUXCZWAMHL-JOCHJYFZSA-N 430.526 4.058 5 20 IIBD CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 813155401 WTPFHYZVECWKTH-HNNXBMFYSA-N 442.459 4.308 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(N3CCCOC3=O)cc2)cc1SC 814352905 KKUQLCWORWNJKT-CYBMUJFWSA-N 445.497 4.163 5 20 IIBD O=C(CSC(F)F)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 899259151 FPLFAOZHBSSCBR-OAHLLOKOSA-N 430.816 4.427 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)O[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 914715541 HDWZSFJWYYEIFE-SFHVURJKSA-N 436.251 4.462 5 20 IIBD COc1ccc(OC(=O)c2ccccc2OCc2cn3cc(C)ccc3n2)c([N+](=O)[O-])c1 915812179 FCRZQMIKWXVECE-UHFFFAOYSA-N 433.420 4.358 5 20 IIBD CC(C)(C)OC(=O)N1CCc2nc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)sc2C1 915839415 DRMZHNCYNDSLMB-UHFFFAOYSA-N 444.469 4.343 5 20 IIBD CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 916398452 KQPMKNXNXZECLY-QGZVFWFLSA-N 438.528 4.500 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2ccccc2Cl)c(S(=O)(=O)N2CCCC2)c1 917090709 ICABAARLXMCRBM-GOSISDBHSA-N 435.933 4.374 5 20 IIBD C[C@H](Oc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cn1)c1ccccc1 919214896 NGBFOSNTCHIXEH-JKSUJKDBSA-N 435.436 4.314 5 20 IIBD CCC/C(C)=C\C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 920214676 MPERNOJSENDNTC-PAOXUHLXSA-N 437.905 4.147 5 20 IIBD O=C(Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-])C1CCN(C(=O)c2cccnc2)CC1 920330568 HCPLKZZSAJFMLJ-UHFFFAOYSA-N 431.448 4.115 5 20 IIBD COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)N[C@@H]1c1cc([N+](=O)[O-])ccc1OC(F)F 920848180 MKKACANHKKNSAL-GOSISDBHSA-N 447.394 4.223 5 20 IIBD CCCCCn1nc(-c2nnc(-c3ccc([N+](=O)[O-])c(OC)c3)o2)c2ccccc2c1=O 1117192716 JHZQQKYFDNTUPM-UHFFFAOYSA-N 435.440 4.221 5 20 IIBD C[C@H](NC(=O)N1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1cccc([N+](=O)[O-])c1 1320630053 OHTUZQHLLMPWQH-KRWDZBQOSA-N 446.548 4.479 5 20 IIBD O=C([C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1322063939 ROSUEGMANYTTQX-UXHICEINSA-N 434.323 4.350 5 20 IIBD Cc1nc(CN2CCC(CNc3ncnc4c(Cl)cc([N+](=O)[O-])cc34)CC2)oc1C 1343096241 KGHNAEDIFDDPAK-UHFFFAOYSA-N 430.896 4.120 5 20 IIBD COc1cc(C(=O)NC2(c3ccc(NC(=O)C(C)(C)C)cc3)CCC2)c([N+](=O)[O-])cc1O 1787704659 XODXPEUFXOXCPB-UHFFFAOYSA-N 441.484 4.103 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3cc(O)ccc3F)cc2)CCC1)c1ccc([N+](=O)[O-])o1 1790642118 IXMRXSVHERGPAD-UHFFFAOYSA-N 439.399 4.094 5 20 IIBD CCCCC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc([N+](=O)[O-])cc1F 1801527124 GDZMUJYBGORYDG-KANFNMMFSA-N 433.524 4.131 5 20 IIBD O=C(CCC1CCCC1)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823611592 KYBBHEQSEVAIEE-LJQANCHMSA-N 431.533 4.392 5 20 IIBD Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1C 1823613452 CIFGUKWYZMKPKZ-FQEVSTJZSA-N 439.512 4.352 5 20 IIBD Cc1oc(C(C)(C)C)cc1C(=O)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)C1 1845314172 JBEWFZWNZQXBOZ-UHFFFAOYSA-N 443.475 4.064 5 20 IIBD Cc1ccc(F)cc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(Cl)cc([N+](=O)[O-])c1C 1847352059 CEGVBEPYEOHMGK-OALUTQOASA-N 445.878 4.133 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)Cc2ccc3c(c2)CCO3)c2ccccc2)c([N+](=O)[O-])c1 11269015 SHVYIITXXYOIAG-DEOSSOPVSA-N 446.459 4.304 5 20 IIBD NC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)c([N+](=O)[O-])c1 16755741 OKMBKTZIKFUKPL-UHFFFAOYSA-N 449.467 4.373 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccco3)n2CC(C)C)c([N+](=O)[O-])c1 17000635 YCAMJTNLSATVAC-CYBMUJFWSA-N 445.501 4.230 5 20 IIBD COc1c([N+](=O)[O-])cc(NCCCOC2CCCCC2)c([N+](=O)[O-])c1Br 22019520 KUFILFBTCPLELW-UHFFFAOYSA-N 432.271 4.425 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O 27051945 DPEFNTRXBPFDEG-INIZCTEOSA-N 441.793 4.031 5 20 IIBD CCCn1c(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nc2ccccc2c1=O 28676100 DFKQQBKZYUMXOV-LBPRGKRZSA-N 446.916 4.487 5 20 IIBD CC(C)c1nc2cc(NC(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)ccc2o1 33216455 MTRKSEVTLMAIRF-UHFFFAOYSA-N 438.469 4.391 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)s1 64029383 RSYQGYLKQMHXDD-UHFFFAOYSA-N 439.419 4.047 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NCCc1ccc(O)cc1 65102972 RVZBKMSSJJABNO-UHFFFAOYSA-N 442.475 4.055 5 20 IIBD CCN(CC)CCn1ccc2cc(NC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)ccc21 65316612 KEEFKTXOKCMAKZ-UHFFFAOYSA-N 446.511 4.329 5 20 IIBD COc1ccc2c(c1)CN(C(=O)c1ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c1)CC2 108957559 OSEOVWDUIADBGP-INIZCTEOSA-N 432.480 4.370 5 20 IIBD CCN(CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1cccc(OC)c1 248245270 LNNDORXHBVOQFT-QHCPKHFHSA-N 440.544 4.017 5 20 IIBD CCOc1cc(N2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)ccc1[N+](=O)[O-] 301509599 HZOUIBJKMOVOEL-CYBMUJFWSA-N 449.305 4.006 5 20 IIBD O=[N+]([O-])c1cnc(N2CCO[C@H](c3ccc(Br)cc3)C2)c(Br)c1 301524881 IMPIMAGOVCXOSE-AWEZNQCLSA-N 443.095 4.093 5 20 IIBD O=[N+]([O-])c1cnc(Oc2ccc(S(=O)(=O)c3ccccc3)cc2)c(Br)c1 301528360 JXLNAVVJRWFVHI-UHFFFAOYSA-N 435.255 4.377 5 20 IIBD O=C(c1ccc(N2CCC(=Cc3ccc(F)c(F)c3)CC2)c([N+](=O)[O-])c1)N1CCOCC1 302233965 ZKHHWFZMRUSIPI-UHFFFAOYSA-N 443.450 4.029 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC(N2CCc3ccccc32)CC1 410289849 CKAINGXTGOMWRI-UHFFFAOYSA-N 430.302 4.025 5 20 IIBD Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 426354459 ZPCHLXTVBVGBGR-INIZCTEOSA-N 425.411 4.140 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@H](c1ccc(Cl)cc1)c1cnccn1 426861779 MONNWSMZIWPMJD-OAQYLSRUSA-N 425.876 4.007 5 20 IIBD CC(C)CC(=O)N[C@@H](C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1 427596832 ODAVGXPSHVAYHA-LJQANCHMSA-N 437.418 4.133 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnn(S(=O)(=O)c3ccc(Cl)c(Br)c3)c2)c1 428413578 PMCIHOWSIIXJHL-UHFFFAOYSA-N 442.678 4.111 5 20 IIBD COc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 428607443 PELNUMYUGYXOPR-NVXWUHKLSA-N 434.876 4.425 5 20 IIBD C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 430663496 JXIZIQREBXFMKG-CWTRNNRKSA-N 441.488 4.067 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCCC[C@H]1c1ccc(F)cc1F 432854303 XHYAOYVPGMQBDE-SFHVURJKSA-N 445.422 4.315 5 20 IIBD COc1cc(NC(C)=O)ccc1NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 435445210 DGDYPFUPKOSYBE-CQSZACIVSA-N 426.473 4.050 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCN(c2ccc(F)cc2)CC1 435813998 OYSPSYIWFSBBAO-UHFFFAOYSA-N 437.421 4.061 5 20 IIBD C[C@H]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)[C@H]1c1ccc(C(F)(F)F)cc1 438184693 XZAIMMGOBSONFM-ORAYPTAESA-N 445.401 4.418 5 20 IIBD Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 438920028 RANUIGAYCGXIKP-UHFFFAOYSA-N 432.274 4.058 5 20 IIBD CC[C@H](CSC)N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 441592206 QUQSMRVPLFVCEN-GFCCVEGCSA-N 439.584 4.346 5 20 IIBD O=C(Nc1cc(F)c(F)cc1I)c1cc2cc([N+](=O)[O-])ccc2o1 443961021 DUEARQYOQCLXCN-UHFFFAOYSA-N 444.131 4.476 5 20 IIBD CCCCOc1ccc([C@H](C)NC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1OC 444979730 AALUASROZWFMHH-AWEZNQCLSA-N 441.488 4.219 5 20 IIBD Cc1c(Br)cc(-c2nc(CC(=O)N[C@@H](C)c3ccccc3)no2)cc1[N+](=O)[O-] 445290484 CJBLQAIASOFVCH-LBPRGKRZSA-N 445.273 4.136 5 20 IIBD CC(=O)Nc1cc(Cl)ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 445783913 QSHNIAFDUYGCBN-UHFFFAOYSA-N 426.654 4.150 5 20 IIBD C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1nc(-c2ccncc2)cs1 446051822 HGPZBJOTOJHWOC-NSHDSACASA-N 447.314 4.296 5 20 IIBD Cc1ccc(Br)cc1NC(=O)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1C 446483222 AHBAFTOYIAJBCA-UHFFFAOYSA-N 435.278 4.124 5 20 IIBD C[C@H](c1nc(Cc2ccc(F)cc2)no1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 446787467 UJQCADJJMGMZNS-OAHLLOKOSA-N 426.448 4.312 5 20 IIBD COc1ccc([C@H](C)N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCOC2)cc1 461594378 WMSJEXAOIRYGFZ-DLBZAZTESA-N 437.500 4.096 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccccc1OC)N1CCCC1 462747552 ZJWYMRMQWRTVFJ-SIKLNZKXSA-N 425.529 4.125 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2cccnc2)c2ccc(F)cc2)c2ncccc12 463680391 OJUXZLRPCMBWPM-UHFFFAOYSA-N 438.440 4.073 5 20 IIBD COc1cc(CNc2ccc(Cc3nnc4n3CCCCC4)cc2)c([N+](=O)[O-])cc1OC 463722884 CLHQYKRYXGAZPH-UHFFFAOYSA-N 437.500 4.133 5 20 IIBD COc1ccc(CN2CCCN(C(=O)c3cc4ccccc4c4cccnc34)CC2=O)cc1 466729563 VTGIMMSRLPFXLT-UHFFFAOYSA-N 439.515 4.271 5 20 IIBD CCCOc1cc(NC(=O)[C@@H]2[C@H](C(F)(F)F)[C@H]3CC[C@H]2O3)c([N+](=O)[O-])cc1OCCC 467853062 PKTZTYKEFAEZCN-KJWYOANISA-N 446.422 4.467 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCc2ccn3ccnc3c2)cc1[N+](=O)[O-] 475721315 CKRPQIAWAAHTNL-UHFFFAOYSA-N 446.488 4.125 5 20 IIBD COc1ccc(-n2c(C)nnc2S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 477042870 YRHTWJZRSFWZAJ-NSHDSACASA-N 447.904 4.265 5 20 IIBD COc1cc(CN(C)C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc(OC)c1 477149934 LTQBJMLATWFYCW-IAGOWNOFSA-N 441.528 4.367 5 20 IIBD C[C@@H](CNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(F)(F)F 479397358 RWEFXLXGSBVKKM-AWEZNQCLSA-N 432.402 4.305 5 20 IIBD COc1cc(C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)cc([N+](=O)[O-])c1C 480033963 GAUFBEBYGQKZCB-SFHVURJKSA-N 425.268 4.432 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)c2ccc(Br)cc2Cl)c1C 480949296 HWJVWJGFFJAVQR-UHFFFAOYSA-N 433.711 4.453 5 20 IIBD COc1cc(C(=O)NCc2cccc([N+](=O)[O-])c2C)cc(OC)c1OCc1ccccc1 481470107 ADBPQYVDDMHCOP-UHFFFAOYSA-N 436.464 4.429 5 20 IIBD CCOC(=O)CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC1 481523411 ZDKGDQBHFQTBJW-UHFFFAOYSA-N 425.485 4.012 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@@H](c1ccccc1)c1ccc(F)cc1 481684019 LKJMQZVKGYNKCW-QHCPKHFHSA-N 449.438 4.328 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2cc(Br)c(Cl)s2)CC1 483269011 GRCDBKROWMCPNG-UHFFFAOYSA-N 444.738 4.030 5 20 IIBD CCCOc1ccc2c(c1)CCN(C(=O)c1cc([N+](=O)[O-])ccc1SCCOC)C2 489178652 LHWJUQBKCRYWOH-UHFFFAOYSA-N 430.526 4.321 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCC(=O)OC)c2ncccc12 489193813 GOZPWELJRZACPA-UHFFFAOYSA-N 441.465 4.059 5 20 IIBD COc1ccc(CNC(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc1[N+](=O)[O-] 490307365 OWHUUTBZORAZEM-OAHLLOKOSA-N 430.530 4.028 5 20 IIBD CCOc1cccc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1OC(F)F 491376598 VMUDRAXJFLVOIC-UHFFFAOYSA-N 435.427 4.469 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1cccc(Cl)c1OCC(F)F 493035256 TWCNHUYFURJBKK-UHFFFAOYSA-N 437.786 4.458 5 20 IIBD Cn1c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nc2cc3ccccc3cc2c1=O 495365527 HKTRMZMOBLPGTH-UHFFFAOYSA-N 445.460 4.337 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(=O)n(-c2ccccc2F)n1 498146390 ZIAVCQWRUVTZDP-UHFFFAOYSA-N 446.394 4.324 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1cccc(COc2ccc(F)cc2)c1)c1ccccc1[N+](=O)[O-] 499760236 BCCPCPGSPRXVSI-OAHLLOKOSA-N 437.427 4.129 5 20 IIBD O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NCc1ccccc1[N+](=O)[O-] 500778657 JXNGYMBQGNYOIW-UHFFFAOYSA-N 445.504 4.251 5 20 IIBD CN([C@@H](c1ccc(Cl)cc1)C(F)(F)F)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] 501014361 JXDFKURIPAFBOB-INIZCTEOSA-N 436.839 4.356 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1CSc1nnc(N2CCCCC2)n1C[C@H]1CCCO1 501132295 AESMESCAXDROQA-MRXNPFEDSA-N 437.953 4.301 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccccc2)C2CCCC2)cc1OC 502698366 FKQXPFQBQDRMKV-QFIPXVFZSA-N 428.485 4.290 5 20 IIBD O=C(c1cc(C(=O)N2CC3(CCCCC3)C2)cc([N+](=O)[O-])c1)N1CC2(CCCCC2)C1 503253965 LJCFKFBFIKXKRA-UHFFFAOYSA-N 425.529 4.407 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CSc2ccc(Br)cc21 503538394 XDLXYVWSQIQTES-HNNXBMFYSA-N 436.331 4.388 5 20 IIBD Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 506099642 ULQYJVZJXJKUMB-QGZVFWFLSA-N 447.495 4.182 5 20 IIBD O=C(Nc1ccc2c(c1)CCN2C(=O)c1cccnc1)Nc1ccc([N+](=O)[O-])cc1Cl 506287086 VNRBCBRTEULASS-UHFFFAOYSA-N 437.843 4.490 5 20 IIBD Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c(C)c1 509855545 RMPQBDWFBVOCGS-UHFFFAOYSA-N 448.317 4.302 5 20 IIBD COc1cccc(C)c1NC(=O)c1cc([N+](=O)[O-])cc(I)c1C 511282364 ARAAWWFFLOIUNB-UHFFFAOYSA-N 426.210 4.077 5 20 IIBD CN(c1ccc(Br)cc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 511700380 LAYXKSDSZLRFHB-UHFFFAOYSA-N 440.102 4.489 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC[C@@H]1CCN(c2ccccc2)C1 512949813 ZWGOCAGXGPMOHB-HNNXBMFYSA-N 436.434 4.058 5 20 IIBD C[C@H](NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(-c2cccnc2)cc1 516598339 WPKVAIRSZKSZBM-KRWDZBQOSA-N 444.491 4.025 5 20 IIBD COc1cc(OCC(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)ccc1[N+](=O)[O-] 521356346 YFMMJTYUNFGCIS-UHFFFAOYSA-N 441.484 4.026 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)cc1[N+](=O)[O-] 523093229 PDHRSQILPWJGIN-SJLPKXTDSA-N 437.525 4.016 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CCCN(C)c4ccc(F)cc43)cc2)c(C)c1[N+](=O)[O-] 525379328 OYGVBKXGFOMDAJ-UHFFFAOYSA-N 437.475 4.082 5 20 IIBD COc1cc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2C)cc([N+](=O)[O-])c1OC 525535990 BYKQPEKNRWZWGY-UHFFFAOYSA-N 435.436 4.425 5 20 IIBD Cc1cc(C(=O)COc2ccc(Br)cc2[N+](=O)[O-])c(C)n1-c1nccs1 525628186 XXKZGOMEKAFLRQ-UHFFFAOYSA-N 436.287 4.483 5 20 IIBD COc1ccc(OC2CCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])CC2)cc1 531187205 PYYNAWOTLQQBKB-UHFFFAOYSA-N 435.274 4.050 5 20 IIBD O=C(c1cc(I)cc([N+](=O)[O-])c1)N(CCC(F)(F)F)CC1CC1 534292712 ILQOJHJLOMQHDS-UHFFFAOYSA-N 442.175 4.004 5 20 IIBD Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 534443756 JOYCRSUFLVRYJT-NRFANRHFSA-N 435.528 4.450 5 20 IIBD CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)c1 534744626 QHQFJLNQRIHPRB-UHFFFAOYSA-N 430.852 4.297 5 20 IIBD Cc1cc(C(=O)N[C@H](C)c2ccccc2NS(=O)(=O)c2cccs2)cc([N+](=O)[O-])c1 535122803 ZUBZBGQFHBANQQ-CQSZACIVSA-N 445.522 4.257 5 20 IIBD Cc1cc(Sc2nnc(COc3ccccc3)n2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 535231505 WDGYARVCBZKHIW-UHFFFAOYSA-N 434.481 4.219 5 20 IIBD COc1ccc(CN2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 535852375 VZBJPBBKZHWFGY-AVRDEDQJSA-N 436.512 4.462 5 20 IIBD COc1cc([C@H](C)Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])ccc1OCC(C)C 537640448 ICKBWQSOBONSEM-LBPRGKRZSA-N 428.532 4.276 5 20 IIBD C[C@@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cccc(OCc2ccccn2)c1 538149678 CGFRTKYSGROETD-MRXNPFEDSA-N 431.452 4.470 5 20 IIBD O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CCN(c2nc3ccccc3s2)CC1 538365474 CJSMTZVFJYETOP-UHFFFAOYSA-N 445.504 4.229 5 20 IIBD O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1cc(Br)cc([N+](=O)[O-])c1 539350002 XXQLQPXEFQWHCV-HZPDHXFCSA-N 425.666 4.271 5 20 IIBD O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1cc(Br)cc([N+](=O)[O-])c1 539350003 XXQLQPXEFQWHCV-JKSUJKDBSA-N 425.666 4.271 5 20 IIBD C[C@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(N2CCCC2=O)c1 540408629 SWKAPYOSURRLAH-UONOGXRCSA-N 430.892 4.053 5 20 IIBD Cc1nc(NC(=O)[C@@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] 540655568 DMCNKNQJAVZUJD-YJYMSZOUSA-N 434.855 4.027 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)c2sccc2C)cc1[N+](=O)[O-] 541147269 YUYNFKIRSWNSDL-KRWDZBQOSA-N 439.493 4.012 5 20 IIBD C[C@@H](C(=O)N1CCCC[C@@H]1CNC(=O)Nc1ccccc1)c1ccc([N+](=O)[O-])cc1F 541681469 DRYQXDSABFBUAA-CRAIPNDOSA-N 428.464 4.040 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[C@@H](n4ccc(C(F)(F)F)n4)C3)o2)c1 542986746 VPVSFVAJUSNADH-MRXNPFEDSA-N 435.406 4.345 5 20 IIBD COc1cc(Cc2noc([C@H](C)Sc3ccc(NC(C)=O)cc3)n2)ccc1[N+](=O)[O-] 546490193 VJJKQSZWTWHXRC-LBPRGKRZSA-N 428.470 4.389 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1nc2c(s1)C[C@H](c1ccccc1)CC2 546795381 UWYAUTLUFMSGMR-OAHLLOKOSA-N 429.523 4.266 5 20 IIBD CC[C@](C)(NC(=O)c1ccccc1)c1noc(CCOc2ccc(Cl)cc2[N+](=O)[O-])n1 554849650 ZHSVIHLUQDTHBJ-NRFANRHFSA-N 444.875 4.308 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCCCC[C@H]1c1ccc(Cl)cc1 557225142 JGVTUXBIMHPLIN-KRWDZBQOSA-N 429.860 4.300 5 20 IIBD CCSc1ccc([C@H](C)NC(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 557617447 IEGVGXLQFGJNRS-HNNXBMFYSA-N 427.526 4.075 5 20 IIBD Cn1nc(-c2ccccc2)nc1Cc1noc(-c2cc([N+](=O)[O-])ccc2C(F)(F)F)n1 565257406 GHZDOCHGJGZCKS-UHFFFAOYSA-N 430.346 4.050 5 20 IIBD CCOc1ccc(NC(=O)Cc2noc(-c3ccc4[nH]c5ccccc5c(=O)c4c3)n2)cc1 576073304 VHJANGLZEGHCDK-UHFFFAOYSA-N 440.459 4.311 5 20 IIBD COC[C@@H](NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])[C@H]1CCCO1 576934261 SHFHYUROIQRUML-IAGOWNOFSA-N 436.917 4.323 5 20 IIBD COc1ccc(-c2nc(C(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])cs2)cc1OC 580544166 PDMZGGRSTXDWKC-UHFFFAOYSA-N 427.482 4.401 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O 590537319 GHUXDVSAEREIBJ-KVSKMBFKSA-N 443.466 4.348 5 20 IIBD C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc1Cl 603988054 YHPWQVJLLLSJGX-AWEZNQCLSA-N 431.876 4.280 5 20 IIBD CCOC(=O)c1cc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)ccc1Cl 604030784 ORAPWWBVHRIPGO-UHFFFAOYSA-N 431.876 4.280 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC2CCN(C(C)(C)C)CC2)cc1 604183261 TVIUJDZIDWNUFO-UHFFFAOYSA-N 427.501 4.388 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccccc1OCC(F)(F)F 604443635 DWDHIOPXLOIVKV-NSHDSACASA-N 432.782 4.273 5 20 IIBD Cc1cc(Br)cc(C)c1CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 604503552 HCXRRLMWACFFBR-UHFFFAOYSA-N 429.274 4.090 5 20 IIBD CC[C@H](C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1cccc(N2CCCC2)c1 609173974 CDQFPTCBZWIBSK-YCRPNKLZSA-N 442.491 4.117 5 20 IIBD CNC(=O)COc1ccc(NC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)cc1 609187336 RRKQBVODDULBSX-UHFFFAOYSA-N 431.514 4.110 5 20 IIBD O=C(Nc1cccc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)c1)c1ccc(F)cc1 609453492 ZZMFWTFCOQDPMB-UHFFFAOYSA-N 445.410 4.424 5 20 IIBD Cc1cccc2nc(CNC(=O)c3ccc(N[C@@H](C)c4ccccn4)c([N+](=O)[O-])c3)cn12 609462641 OVBKXVYOQBDFMP-INIZCTEOSA-N 430.468 4.049 5 20 IIBD O=C(Nc1ncc(Cc2cc(F)cc(F)c2)s1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609547664 AGCQHEKZIPRJTE-UHFFFAOYSA-N 442.403 4.426 5 20 IIBD O=C(Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)Nc1cccc([N+](=O)[O-])c1 609709648 IGEKKOUJKCNXTM-UHFFFAOYSA-N 425.466 4.354 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCc1cccc(OCC(F)(F)F)c1 609727576 LRQQVOYJSMCODO-UHFFFAOYSA-N 432.782 4.275 5 20 IIBD Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)Nc1cccc(Oc3ccc([N+](=O)[O-])cc3)c1)C2=O 609755654 NIVGEVKXXUXSOX-OAHLLOKOSA-N 445.431 4.319 5 20 IIBD Cc1ccc(NCCCNC(=O)N2CCC(c3c[nH]c4ncccc34)CC2)c([N+](=O)[O-])c1 610101887 KYUOGDJSOIWZIP-UHFFFAOYSA-N 436.516 4.171 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1)N(CCCn1ccnc1)Cc1c(F)cccc1Cl 610604932 GVLRNZCAGQTEQZ-UHFFFAOYSA-N 430.867 4.245 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCCC[C@@H]2c2noc(C3CC3)n2)cc1[N+](=O)[O-] 611073563 XSCJJFNBUAKBCS-CQSZACIVSA-N 435.278 4.294 5 20 IIBD O=C(c1cccc2ccccc12)N1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 611170201 BQYYANICNYXBLW-UHFFFAOYSA-N 442.475 4.361 5 20 IIBD C[C@H](C(=O)N[C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)c1ccc([N+](=O)[O-])cc1F 612488718 UZKFLSAQFVVFRK-DJTDUFQSSA-N 425.504 4.254 5 20 IIBD Cc1cc(NC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cc(C(F)(F)F)c1 616958311 PHRDVTMSHKUFHY-UHFFFAOYSA-N 432.358 4.029 5 20 IIBD Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)sc1C(F)(F)F 619670772 WDYDTSNCXIDPKK-UHFFFAOYSA-N 435.327 4.198 5 20 IIBD CC(C)C[C@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccccc1 725984663 LPQCBNNJRIBOBF-SFHVURJKSA-N 449.301 4.418 5 20 IIBD Cc1c(C(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 726520524 ZNOOZFCDUIYPET-HUUCEWRRSA-N 434.246 4.168 5 20 IIBD O=C(COC(=O)c1cnc(Cc2ccc(F)cc2)s1)Nc1ccc([N+](=O)[O-])cc1Cl 727218817 QARZHGNBZJRMFP-UHFFFAOYSA-N 449.847 4.230 5 20 IIBD Cc1ccccc1NCCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727398632 KTKLVDZWOQAHIM-UHFFFAOYSA-N 436.434 4.073 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 728477620 CRVHGRJIGHWEJR-UHFFFAOYSA-N 433.445 4.126 5 20 IIBD COc1ccc(CN2C(=O)/C(=C\c3ccc(OC)c([N+](=O)[O-])c3)c3ccccc3C2=O)cc1 730151843 RBPVCWXYSPWQKY-BKUYFWCQSA-N 444.443 4.335 5 20 IIBD O=C(Nc1sccc1C(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccccc1Cl 730207622 TVPAMIBRDHYWFD-UHFFFAOYSA-N 444.900 4.404 5 20 IIBD O=C(Nc1ccc(-c2cnco2)cc1)c1ccc(I)c([N+](=O)[O-])c1 730483197 ZGIRYJDNKHJBGK-UHFFFAOYSA-N 435.177 4.107 5 20 IIBD COc1ccc([C@@H]2CCCCCN2C(=O)COC(=O)c2ccc([N+](=O)[O-])c(F)c2)cc1 731515992 DGRLFLLTTQEXKN-IBGZPJMESA-N 430.432 4.043 5 20 IIBD C[C@H](OC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 731528757 GCHHOHNYHXNCCX-ZDUSSCGKSA-N 444.415 4.350 5 20 IIBD O=C(OCc1ccccc1)[C@H]1CCCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 731583838 VIEVFTIDZJEJSY-LJQANCHMSA-N 437.477 4.066 5 20 IIBD COc1ccc(COC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC(F)F)c1 734325974 QPZJCVNJBHLNOK-JTQLQIEISA-N 431.775 4.369 5 20 IIBD CCc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 742410344 VNXYGKVBYXWQPW-QGZVFWFLSA-N 435.480 4.447 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(Cn3nc(Cc4cccc(F)c4)oc3=S)CC2)cc1 743390329 IUZATPUTWPPTPU-UHFFFAOYSA-N 444.488 4.345 5 20 IIBD Cc1cc(=O)c(C(=O)O[C@@H](C)c2ccc(C(F)(F)F)cc2)nn1-c1ccccc1[N+](=O)[O-] 744508841 CTCZYMHSCKMVJB-ZDUSSCGKSA-N 447.369 4.386 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c1 745385478 CNJYRWKSGVVLKJ-UHFFFAOYSA-N 426.425 4.130 5 20 IIBD COc1ccc(-c2ncc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)s2)cc1 745559075 UNRYWQSSQSCRDQ-UHFFFAOYSA-N 447.856 4.176 5 20 IIBD CN(CC(=O)O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1ccccc1[N+](=O)[O-] 745618098 NHQDVWJCQJSHJE-JOCHJYFZSA-N 437.427 4.093 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)[C@@H]1CCCN(Cc2ccccc2)C1 746409336 BJHFALIBWSWMQV-JOCHJYFZSA-N 436.556 4.322 5 20 IIBD COC(=O)Nc1ccc(CNC(=O)COc2ccc(Cc3ccccc3)cc2[N+](=O)[O-])cc1 748634344 WEDDRFLBUCKNFO-UHFFFAOYSA-N 449.463 4.059 5 20 IIBD CC(C)c1c(C(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)cnn1-c1ccccc1 749358617 MJTQNNOAPHKRGD-UHFFFAOYSA-N 449.511 4.372 5 20 IIBD CC(=O)N(C)c1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cc1 749418278 CFXBXCZVWNAOSQ-UHFFFAOYSA-N 426.654 4.246 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCCC[C@@H]1C1OCCO1 750846209 FGTUKZHPPPKJMG-QGZVFWFLSA-N 432.860 4.408 5 20 IIBD O=C(COC(=O)c1ccc(Br)cc1[N+](=O)[O-])Nc1ccc2ccccc2c1 750966448 SIIUBHWKNKJXQA-UHFFFAOYSA-N 429.226 4.306 5 20 IIBD Cc1cc(N2CCSCC2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1Br 751123330 XDMZYNLKRZDGQH-UHFFFAOYSA-N 436.331 4.471 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 753596880 ZLKKUHRGMQEYNY-OAHLLOKOSA-N 441.315 4.004 5 20 IIBD C[C@H](NC(C)(C)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1ccccc1 754635105 HYIHSSPPLUSIIX-LBPRGKRZSA-N 438.297 4.356 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 757082994 UPDGVRNNDDCPCU-JOCHJYFZSA-N 448.504 4.218 5 20 IIBD COC(=O)[C@H](C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 759369983 LBHPMLNDWHTANP-MRXNPFEDSA-N 425.485 4.189 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCCN1Cc1ccc(F)cc1 760530291 KFXAJCCZQMZOOO-HXUWFJFHSA-N 425.416 4.097 5 20 IIBD COc1ccc(Cc2noc([C@@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)n2)c(Cl)c1OC 761808295 UZEANBQOXFOTJL-INIZCTEOSA-N 444.831 4.105 5 20 IIBD CC(C)(C(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1F 762455770 DRHURTGKTNPBLZ-MRXNPFEDSA-N 439.487 4.154 5 20 IIBD CCN(CC1CCN(c2ccccn2)CC1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 764278409 DYSDXGVCBGLXOE-MRXNPFEDSA-N 445.951 4.209 5 20 IIBD O=[N+]([O-])c1cncc(Br)c1N1CCC(O)(c2ccccc2C(F)(F)F)CC1 764912753 BVAACVGHVNYKLU-UHFFFAOYSA-N 446.223 4.259 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 766190205 BXQLKGXHQXTLQW-UTKZUKDTSA-N 432.565 4.237 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H]1CCOc2cc(F)ccc21 766302054 TVHWJAJXXUHNMT-INIZCTEOSA-N 435.429 4.070 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)cc([N+](=O)[O-])c1F 768269700 KSPHYMZFHUSINA-UHFFFAOYSA-N 445.925 4.050 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 768986086 SWSBWXSJZHPSTO-ZDUSSCGKSA-N 433.745 4.136 5 20 IIBD COc1ccccc1[C@H](CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)OC(C)C 770083040 JVMBPIQXBQHIGJ-IBGZPJMESA-N 431.445 4.025 5 20 IIBD C[C@H]1CN(Cc2ccc(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)cc2)C[C@H](C)O1 770325741 QSDOGUNOKRTPKP-KBPBESRZSA-N 448.317 4.219 5 20 IIBD CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 770848044 QZPMBSLNLOCMNT-GOSISDBHSA-N 443.456 4.056 5 20 IIBD CC(=O)c1ccc2nc(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3Cl)sc2c1 775087242 ASDRBIBSQIIBDJ-UHFFFAOYSA-N 425.875 4.170 5 20 IIBD O=C1OCCN1c1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1[N+](=O)[O-] 777595595 HXMHIAACSDBUCU-UHFFFAOYSA-N 439.449 4.019 5 20 IIBD Cc1c([N+](=O)[O-])cnc(NCC2=CCN(C(=O)OC(C)(C)C)CC2)c1Br 777824151 USPLARGHCJYEKG-UHFFFAOYSA-N 427.299 4.040 5 20 IIBD Cc1nc(-c2ccccc2)oc1C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 779209504 XCYKUKORCNBHOD-KRWDZBQOSA-N 435.436 4.020 5 20 IIBD O=C(c1ccc(Cl)cc1)C1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 781606123 HRGOYMNAZJWZAL-UHFFFAOYSA-N 445.859 4.211 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(OC(F)F)cc1OC(F)F 781609466 VMJBHQMINKNWJC-UHFFFAOYSA-N 447.297 4.277 5 20 IIBD O=C(NCCc1ccc(OC(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1Br 782166107 FYRFLOPSXRFNSQ-UHFFFAOYSA-N 433.180 4.228 5 20 IIBD NC(=O)c1c(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])sc2c1CCCC2 783702351 WMRCBTMQYWGTBA-UHFFFAOYSA-N 425.919 4.018 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N[C@@H](c2ccccc2)C2CCC2)cc1[N+](=O)[O-] 784701576 IHTVLCWDVYJYTG-SFHVURJKSA-N 446.301 4.262 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N[C@@H](CC2CC2)c2ccccc2)cc1[N+](=O)[O-] 784718484 NDMUITINJOKFOP-INIZCTEOSA-N 446.301 4.262 5 20 IIBD Cc1cc(CC(=O)O[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)no1 785963038 AFBANSBTRCWNPD-LJQANCHMSA-N 429.816 4.010 5 20 IIBD C[C@@H]1[C@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)CCN1C(=O)OC(C)(C)C 786615873 WEFVRFMEWURBMD-UKRRQHHQSA-N 445.438 4.131 5 20 IIBD O=C(NCCCCCCOc1ccc(Cl)cc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 787317901 UOTSDBWZBVXMET-UHFFFAOYSA-N 449.939 4.431 5 20 IIBD COC(=O)COc1ccc(CN2CCCCC[C@@H]2C[C@H](O)c2cccs2)cc1[N+](=O)[O-] 789515205 YNOSBJSHPJSFNM-MJGOQNOKSA-N 448.541 4.076 5 20 IIBD Cc1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2)cc1 789571622 NZEVDPYRGPTUPO-UHFFFAOYSA-N 427.438 4.207 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC(O)(c2ccccc2Cl)CC1 790278155 PNBZWXDRGHVURW-UHFFFAOYSA-N 425.268 4.176 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 791693327 LCIBOWCFOQDOEX-GFCCVEGCSA-N 436.848 4.066 5 20 IIBD CCCCN(C)c1ccc(NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1 793046914 PZDFQPVJEKECTA-UHFFFAOYSA-N 449.305 4.171 5 20 IIBD O=C(c1cnc2c(F)cccc2c1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 794487970 NUTGYKXSHDBECF-UHFFFAOYSA-N 430.233 4.243 5 20 IIBD Cc1ccccc1-c1noc(C)c1C(=O)O[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 796211355 NTXHOKWWWXDJRK-ZDUSSCGKSA-N 427.388 4.190 5 20 IIBD C[C@H](OC(=O)c1ncccc1Oc1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 799559564 GPEKWZMFMMLXIZ-ZDUSSCGKSA-N 425.372 4.105 5 20 IIBD O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cc1Cl 809808120 XWWVJIXUTPDTIP-LLVKDONJSA-N 439.852 4.097 5 20 IIBD CC[C@H](C)N(Cc1ccccc1)C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810391945 QXQBQTQBTWPMIP-ZDUSSCGKSA-N 434.290 4.123 5 20 IIBD Cc1nccn1C[C@H](C)OC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 810622844 QFPIGUMXJHSTRS-KRWDZBQOSA-N 445.479 4.127 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 811216935 OFBSFLRTYXZDGV-NRFANRHFSA-N 447.513 4.409 5 20 IIBD COc1cc(OC)cc(-c2cccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)c1 812341966 IDWQDLHTFSOFFA-UHFFFAOYSA-N 449.872 4.128 5 20 IIBD COc1ccc(C(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c(OC)c1 815511868 ZKJLDTLOCHYGFW-JTQLQIEISA-N 427.331 4.059 5 20 IIBD O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1cc([N+](=O)[O-])ccc1I 817223249 NHCWKBSRDZKMFP-AULYBMBSSA-N 440.212 4.015 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)O[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 914715540 HDWZSFJWYYEIFE-GOSISDBHSA-N 436.251 4.462 5 20 IIBD C[C@@H](OC(=O)CCOc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 914960835 WNHIKVFILGTFIQ-LLVKDONJSA-N 427.240 4.241 5 20 IIBD CC1=C(C(=O)N(C)C)[C@@H](c2cc([N+](=O)[O-])ccc2Cl)NC(=S)N1c1ccccc1 916161841 QVVDQIHCADDTHG-GOSISDBHSA-N 430.917 4.046 5 20 IIBD Cc1nc(-c2cccs2)c(CC(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)s1 918953573 CRTHRARMDVLHDF-UHFFFAOYSA-N 442.478 4.424 5 20 IIBD O=C(Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-])c1cccc(N2CCCS2(=O)=O)c1 920330571 HEWNQPNENLYWMP-UHFFFAOYSA-N 438.461 4.021 5 20 IIBD CC(C)(C)OC(=O)NC[C@H](NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C1CCCCC1 1116168816 QRNIVMLAZCGCMY-IBGZPJMESA-N 432.521 4.094 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3occ(C)c3C)cc2)cc1[N+](=O)[O-] 1117127720 RRZVOEDWDSNOOF-UHFFFAOYSA-N 429.454 4.166 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(F)cc1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 1318350755 MVTIQZMSSHTTHG-UHFFFAOYSA-N 433.392 4.104 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc2nc(CN3CCCCC3)[nH]c2c1 1324483911 YVMPZLLALWMQCB-UHFFFAOYSA-N 432.484 4.120 5 20 IIBD COc1cccc(-c2nc([C@@H](NC(=O)OC(C)(C)C)c3ccccc3)no2)c1[N+](=O)[O-] 1324653839 KWSCLQKIRNOQEI-INIZCTEOSA-N 426.429 4.268 5 20 IIBD Cc1cncc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(O)c([N+](=O)[O-])c4)CCC3)cc2)c1 1787433036 VTOGKPSCRFNHDT-UHFFFAOYSA-N 446.463 4.065 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3nc[nH]c3[N+](=O)[O-])CCC2)cc1)c1ccc(C2CC2)cc1 1790782683 MCHQTCCLYJQRHD-UHFFFAOYSA-N 445.479 4.257 5 20 IIBD CC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2cccc([N+](=O)[O-])c2)CCCCC1 1793944339 VAPVBFJSOBZCOQ-ACDBMABISA-N 427.545 4.136 5 20 IIBD Cc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2csc(C)c2C)cc1[N+](=O)[O-] 1795332904 PAEMGCYZROORLQ-REPLKXPHSA-N 441.553 4.076 5 20 IIBD Cc1cc(C)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C3)c(C)c1 1803557410 TYVFLRYZWHGCMW-WKCHPHFGSA-N 435.524 4.015 5 20 IIBD Cc1ccc(CC(=O)N2CCC3(CCCN(C(=O)CC4CCCC4)C3)CC2)cc1[N+](=O)[O-] 1808938566 LIPXFNZIAIZQSN-UHFFFAOYSA-N 441.572 4.257 5 20 IIBD CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CSc3ccccc3[N+](=O)[O-])CC2)CC1 1826244054 ZHCFIUAOGPYUGV-GOSISDBHSA-N 445.585 4.107 5 20 IIBD C[C@]1(C(=O)N2CC3(CCCN3C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C2)CC=CCC1 1845739851 RJKRJNXPGYHXRB-QFIPXVFZSA-N 439.537 4.373 5 20 IIBD C[C@@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C(F)(F)F)c1 9352734 WHYOVSJHAYHDHO-LLVKDONJSA-N 428.388 4.276 5 20 IIBD C[C@H](OC(=O)c1c[nH]c2ccc(Br)cc12)C(=O)Nc1ccc([N+](=O)[O-])cc1 16327622 JJZKBQOOMJENPU-JTQLQIEISA-N 432.230 4.023 5 20 IIBD COCc1c(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)sc2cccc(F)c12 17937759 NBNWVCOLWDENSH-UHFFFAOYSA-N 433.413 4.319 5 20 IIBD Nc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1[N+](=O)[O-] 18707257 NCOKKYSBGQYYAZ-UHFFFAOYSA-N 429.298 4.015 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)OCC(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] 21141503 WOUGIPLQHNJRAT-UHFFFAOYSA-N 448.460 4.067 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc4c(c3)NC(=O)CS4)cc2[N+](=O)[O-])C1 24295259 PDCORYAVLPEJEC-KBPBESRZSA-N 440.525 4.374 5 20 IIBD O=C(COC(=O)CSc1ccc(F)cc1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 24773446 GFTKPPVWNGIBNI-UHFFFAOYSA-N 432.351 4.027 5 20 IIBD Cc1cc(C(=O)COC(=O)CSc2ccccc2[N+](=O)[O-])c(C)n1CC(F)(F)F 25067634 LPCGOZTYCGRBSL-UHFFFAOYSA-N 430.404 4.094 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)Cc2csc(-c3cccs3)n2)cccc1[N+](=O)[O-] 26643681 FLHTVFAKYRNHSX-GFCCVEGCSA-N 431.495 4.201 5 20 IIBD CC(C)CSCC(=O)Nc1c(Br)cc([N+](=O)[O-])cc1Br 69509741 SDVNCCSKWVWRMK-UHFFFAOYSA-N 426.130 4.448 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@H]2CCSc3ccc(F)cc32)ccc1[N+](=O)[O-] 110323749 ZAHNKSHOJLTQRV-PKOBYXMFSA-N 443.500 4.000 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1cc(C2CC2)n[nH]1 116795491 SAKKDVFJYPBQFM-UHFFFAOYSA-N 428.452 4.229 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cccnc1SCc1ccc(F)cc1 195711698 JBSKGXSIYIOXBX-UHFFFAOYSA-N 427.457 4.360 5 20 IIBD CS(=O)(=O)c1ccc(N2CCC[C@H]2c2cccc(Br)c2)c([N+](=O)[O-])c1 301066899 FSVCQWXXHXTMRK-HNNXBMFYSA-N 425.304 4.102 5 20 IIBD O=[N+]([O-])c1cnc(N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c(Br)c1 301520515 GRRXJIDRQUOBCF-LBPRGKRZSA-N 448.252 4.325 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CN(CCc3ccccn3)Cc3ccc(F)cc3)n2)cc1 303120398 FMGFACWPCHYOPA-UHFFFAOYSA-N 433.443 4.424 5 20 IIBD Cc1nc(-c2cccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)c2)cs1 303427867 DZTOBVWBOZVLDE-INIZCTEOSA-N 442.522 4.332 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1SCC(F)F 303844497 MMICBVFECRUGOI-JTQLQIEISA-N 443.859 4.362 5 20 IIBD COc1ccccc1C[C@@H](CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)O 426629107 AEVNXTYANGNVST-INIZCTEOSA-N 426.494 4.365 5 20 IIBD O=C1CCCC[C@H]1[C@H]1CCCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br 426892856 BMHCDJFJEQRJMN-FUHWJXTLSA-N 437.334 4.430 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NC1(c2ccc(Br)cc2)CC1 431579643 PXAWVMYNTSNPGE-UHFFFAOYSA-N 442.269 4.090 5 20 IIBD CC(C)(NC(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1)c1ccc([N+](=O)[O-])cc1 431798741 QYMKRKFYCWRLKD-UHFFFAOYSA-N 432.471 4.072 5 20 IIBD COC(=O)c1ccc(N2CCCC2)c(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 437387355 HMSHUOMMDCMMHY-UHFFFAOYSA-N 438.484 4.178 5 20 IIBD CC[C@@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1cccc(C(F)(F)F)c1 437695508 JACPKOWTODRAOR-LJQANCHMSA-N 449.429 4.092 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2C(=O)N2[C@H]3CCC[C@H]2CC3)c1 439010362 NHUHOQYWCCZVBV-IRXDYDNUSA-N 443.525 4.170 5 20 IIBD O=C(Nc1ccc(CCC(F)(F)F)cc1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 439656208 QVGFLBZVUVUGES-AWEZNQCLSA-N 441.431 4.395 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC1CCN(Cc2csc(CC)n2)CC1 439912784 KTBWRAPZYQTUHL-UHFFFAOYSA-N 447.561 4.046 5 20 IIBD O=C(Nc1cc(Cl)cc(F)c1F)c1ccc([N+](=O)[O-])cc1I 441600193 GCJJUDRSGIXZLA-UHFFFAOYSA-N 438.555 4.383 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 441996522 FGJKSFVEYORRGI-UHFFFAOYSA-N 443.475 4.133 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(Cc1csc(Br)c1)C1CC1 443736772 ZTHIPOJCZCSDQJ-UHFFFAOYSA-N 431.333 4.081 5 20 IIBD CCO[C@@H]1C[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@@H]1Oc1ccccc1 444342571 XSFMLJTWIOTQBL-ARNLJNQMSA-N 428.488 4.036 5 20 IIBD CN(CC1(O)CCOCC1)C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 444529842 YDXWUUDUGXJQGJ-UHFFFAOYSA-N 436.917 4.013 5 20 IIBD C[C@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1ccc(Br)s1 444543138 JEURKFJQUOLQTN-JTQLQIEISA-N 436.287 4.223 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N[C@H](c1cccc(Cl)c1)c1ccccn1 445214135 LVAHAGRCFZSOJF-HXUWFJFHSA-N 436.859 4.108 5 20 IIBD Cc1ccc(-c2nc(-c3c([N+](=O)[O-])nc(C)n3C)no2)cc1NC(=O)Nc1ccccc1 445619908 GXEDSXAQWOOFFM-UHFFFAOYSA-N 433.428 4.306 5 20 IIBD O=C(Nc1ccnc(Oc2ccc(F)cc2F)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 448445058 DMFHWGNJWZNKPU-UHFFFAOYSA-N 437.362 4.498 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)cc1SC 460274825 JWCXSHMUBIKANQ-UHFFFAOYSA-N 438.465 4.225 5 20 IIBD C[C@H]1C[C@@H](NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C(=O)N1c1ccccc1 461291260 GPXXRTAQNOBCOB-HTAPYJJXSA-N 444.491 4.131 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 461446246 PICXDYKZSAQEQR-VQTJNVASSA-N 448.548 4.312 5 20 IIBD CCO[C@@H]1C[C@H](NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C12CCCCC2 461543176 HRMBRWXCANMXEB-DLBZAZTESA-N 428.432 4.063 5 20 IIBD COc1cc([C@@H]2Nc3ccc(Cl)cc3C(=O)N2c2ccncc2)cc([N+](=O)[O-])c1O 463012081 PKJLCLMPLLIXTM-LJQANCHMSA-N 426.816 4.129 5 20 IIBD Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] 463288621 MPVSXMZBAJFENX-IRXDYDNUSA-N 438.528 4.096 5 20 IIBD COc1ccc(CC[C@H]2CCCCN2C(=O)CN(C)c2ccccc2[N+](=O)[O-])cc1OC 463600002 OYCGSJSQKYWLEA-LJQANCHMSA-N 441.528 4.062 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NCC1(c2ccccc2Cl)CCOCC1 467217672 MFLPHLNFZNHCMA-UHFFFAOYSA-N 438.311 4.449 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)S(=O)(=O)c1cccc(C(F)(F)F)c1 468406845 YWFCTTLXSYZZQU-SECBINFHSA-N 436.795 4.068 5 20 IIBD Cc1c(COc2ccccc2)cccc1NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 471452265 QSLWICYHNOYRRK-UHFFFAOYSA-N 433.420 4.029 5 20 IIBD O=C(NC[C@H]1CCCCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1 472261362 UYCHDYIADLZWMD-OAQYLSRUSA-N 434.496 4.077 5 20 IIBD Cc1nc(CNC(=O)NCCNc2ccccc2[N+](=O)[O-])oc1-c1ccc(Cl)cc1 473736541 AZEBHOACRLHGPS-UHFFFAOYSA-N 429.864 4.123 5 20 IIBD C[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1noc(Cc2ccccc2)n1 473910117 JWWUIHPZEZJBOJ-ZDUSSCGKSA-N 435.465 4.183 5 20 IIBD COc1cc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCCC2)c([N+](=O)[O-])cc1OC 476837037 ZSIUTDZSFIBGDN-UHFFFAOYSA-N 442.468 4.316 5 20 IIBD CCCCn1ccnc1-c1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 478961835 VQAKYFKNOXKIGW-KRWDZBQOSA-N 449.511 4.383 5 20 IIBD Cc1nc(CN(C)[C@@H]2CCCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])CC2)no1 480229482 PAZCGKSTWQUPHP-HXUWFJFHSA-N 449.511 4.008 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(Cc2ccccc2C)CC1 480436328 OLULIWVHIYIJDS-UHFFFAOYSA-N 443.569 4.036 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1cc(OC)c(OC)cc1C 480566852 KHJRQAZSQUFKQJ-CQSZACIVSA-N 434.514 4.150 5 20 IIBD CCN([C@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C 481441625 HIWBSEUSPMFSSN-JOCHJYFZSA-N 425.510 4.407 5 20 IIBD CC[C@@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)Oc1ccccc1Cl 482631226 OCZMURZMYKANFK-KRWDZBQOSA-N 431.920 4.438 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 484117402 VULSFRYXKDSBQM-NVXWUHKLSA-N 447.438 4.052 5 20 IIBD CCCCC1CCC(C(=O)Nc2ccc(CNC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)CC1 485946821 WSFZHRLABYWOHM-UHFFFAOYSA-N 427.505 4.183 5 20 IIBD CSc1cccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C)c(C)c2)c1[N+](=O)[O-] 486253395 QUAOTXHDFSGDCF-INIZCTEOSA-N 431.539 4.087 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)N2CC3(CCCC3)c3cccc(Cl)c32)cc1[N+](=O)[O-] 486411045 NZPKVDKELMCPEA-UHFFFAOYSA-N 434.901 4.124 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)Nc1c(-c2ccc(Br)cc2)nc(C)n1C 486438781 YIFCQEIUNXKUBG-UHFFFAOYSA-N 445.273 4.327 5 20 IIBD CCNC(=O)Nc1ccc(C)c(NC(=O)c2sc(Br)cc2[N+](=O)[O-])c1 487715140 NDMQRWFXQYZEKU-UHFFFAOYSA-N 427.280 4.121 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)nnc1-c1ccc([N+](=O)[O-])cc1 489386310 JWRSBRYVQPIIJJ-CQSZACIVSA-N 439.497 4.195 5 20 IIBD CCCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@H](c1ccc(F)cc1)c1cccnc1 489391058 VKODNMDDOLRMPK-OAQYLSRUSA-N 437.427 4.499 5 20 IIBD CCOc1ccc(NC(=O)c2cc(OC)c(OCC)cc2[N+](=O)[O-])cc1Br 490480309 NNBNZOMHINWNKG-UHFFFAOYSA-N 439.262 4.416 5 20 IIBD Cn1cc(C(=O)NCC[C@H](c2ccccc2)C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 490790035 DXBWCAVBYXWTJU-GOSISDBHSA-N 432.402 4.461 5 20 IIBD O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)c1ccc([N+](=O)[O-])cc1Cl 491255422 NOOQGXHEWLFJGJ-LBPRGKRZSA-N 438.709 4.267 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC2(CC1)OCCc1ccsc12 491816898 CLFCSZZFZNPXKC-UHFFFAOYSA-N 437.315 4.123 5 20 IIBD CN1CC[C@@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 493919853 KFWTZXBWFXFYRW-MGPUTAFESA-N 433.911 4.474 5 20 IIBD CS(=O)(=O)c1cccc(NCc2cccc(NC(=O)Nc3ccccc3)c2)c1[N+](=O)[O-] 497549486 ZVRCRHRKFUILRW-UHFFFAOYSA-N 440.481 4.254 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C 500435208 IDBUODYKLCVVDF-ROUUACIJSA-N 443.569 4.068 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCO[C@H](c2cccc(Br)c2)C1 500656236 KBCNWBKLUYSJFX-IBGZPJMESA-N 448.317 4.068 5 20 IIBD Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)c2c([N+](=O)[O-])cnn2C)cc1C 500730253 PRYBQIIWGMMNRH-UHFFFAOYSA-N 444.495 4.070 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H]1c1nc2ccccc2n1C 503140431 LGMISEDWKOOABZ-CXAGYDPISA-N 428.876 4.266 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)cc1[N+](=O)[O-])c1ccccn1 506163263 JIPXNCAMNNCDEG-LBPRGKRZSA-N 439.859 4.168 5 20 IIBD Cc1cc(Sc2ncccn2)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 509546620 ZNRHFOMSMUPHGI-UHFFFAOYSA-N 436.902 4.299 5 20 IIBD CC(C)N(Cc1ccc(Br)cc1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 512954124 XPMGEBSOICONMH-UHFFFAOYSA-N 427.320 4.098 5 20 IIBD COc1cc(C(=O)NCCc2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])cc1OC 514515857 DZOMFHFOGRSIRM-UHFFFAOYSA-N 436.464 4.164 5 20 IIBD CCOC(=O)c1sc(N(C(=O)COc2ccc([N+](=O)[O-])cc2)c2ccccc2)nc1C 515045229 AAPGYWZPLJYYSL-UHFFFAOYSA-N 441.465 4.280 5 20 IIBD Cc1ccc(Oc2ccccc2NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 515116232 BEKGCIXBMLKOOE-UHFFFAOYSA-N 433.468 4.445 5 20 IIBD CCOc1ccc(Oc2cc(CNc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])ccn2)cc1 515501528 FTFUAAXETZIHMK-UHFFFAOYSA-N 443.481 4.196 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 516343997 MBQYNFZSNHGELF-UHFFFAOYSA-N 447.904 4.034 5 20 IIBD O=C(NCC(=O)N(Cc1ccccc1Cl)C1CCCC1)NCc1ccc([N+](=O)[O-])cc1 517841078 FVVOVUPPOPRIBR-UHFFFAOYSA-N 444.919 4.019 5 20 IIBD CN(C(=O)c1csc(-c2ccc(Br)s2)n1)c1ccc([N+](=O)[O-])nc1 519781836 MGXHDGXFGXXJPY-UHFFFAOYSA-N 425.289 4.214 5 20 IIBD COc1cc(C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)c([N+](=O)[O-])cc1OCc1cscn1 520708629 MKBAIXCEXRROPF-BHOIQGAFSA-N 443.525 4.193 5 20 IIBD COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 523256092 STMCDYOICOGOMS-UKRRQHHQSA-N 435.933 4.133 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCCN(C4CCCC4)CC3)cc2[N+](=O)[O-])C1 523392154 CQARVPFEQSFPNM-KDURUIRLSA-N 428.577 4.168 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC=C(c2c[nH]c3ncccc23)CC1 523526827 WDMKPWKQQYYTCU-UHFFFAOYSA-N 427.258 4.163 5 20 IIBD CCC(C)(C)NC(=O)c1ccc(NC(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])cc1 523558067 OIKZDAHCVQBXLC-UHFFFAOYSA-N 441.532 4.445 5 20 IIBD CCCc1ccc(-c2cc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)n(CCO)n2)cc1 524070554 FJHDEZTXRDWCLS-UHFFFAOYSA-N 428.876 4.309 5 20 IIBD COc1ccc(-c2nsc(NC(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)n2)cc1 532794585 OSVWQHJMCJWPAA-UHFFFAOYSA-N 449.286 4.445 5 20 IIBD O=C(CN(CCc1ccc(F)cc1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Br 532977574 SWDDDGBIKDNPPF-UHFFFAOYSA-N 436.281 4.142 5 20 IIBD CC[C@@H](C)NS(=O)(=O)Cc1cccc(NCc2cc([N+](=O)[O-])ccc2OC(F)F)c1 535543392 SIVNYSZWWKWNOW-CYBMUJFWSA-N 443.472 4.026 5 20 IIBD CN(CCc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1)C1CC1 537130317 FNBRGOAHMPYMDJ-UHFFFAOYSA-N 432.318 4.175 5 20 IIBD Cc1nc(-c2ccc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)cc2Cl)n[nH]1 537211562 KXUNCINJNVASRF-UHFFFAOYSA-N 440.891 4.197 5 20 IIBD CC(C)N1CCN([C@@H]2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2)CC1 537660374 FBMCGPPIOVGRAB-GOSISDBHSA-N 432.952 4.109 5 20 IIBD C[C@@H](NC(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1)c1ccccc1[N+](=O)[O-] 539298504 CMQRGWZMMFSHDI-CYBMUJFWSA-N 444.538 4.100 5 20 IIBD O=C(CN[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)N1CCc2cc([N+](=O)[O-])ccc21 539421137 BQKRRWBZGSWZPG-KRWDZBQOSA-N 447.335 4.396 5 20 IIBD O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 539448627 YJTYEOMVDIOEBE-KRWDZBQOSA-N 436.537 4.360 5 20 IIBD CCNC(=O)c1ccc(C)c(NCc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])c1 539935982 RQAAMEQKNUPSQZ-UHFFFAOYSA-N 441.406 4.215 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C)c1ccc(OC2CCCC2)c(OC)c1 541315200 VPGLBNYCEHXROZ-OAHLLOKOSA-N 443.500 4.494 5 20 IIBD O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccccc2Br)cc1C(F)(F)F 542002433 HUWHIOXCTSJJGT-UHFFFAOYSA-N 425.182 4.177 5 20 IIBD COC(=O)Cc1sc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)nc1-c1ccccc1 542542267 RZUGNOAMRVOOCR-LBPRGKRZSA-N 443.456 4.315 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccsc2)cc1[N+](=O)[O-] 543924298 MFGWKHOWOLOGPQ-SFHVURJKSA-N 445.884 4.163 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CCC[C@H]1[C@@H](O)C(F)(F)F 544552215 GCWZYXCTHIDINU-DOTOQJQBSA-N 432.464 4.405 5 20 IIBD Cc1nc2ccccc2n1Cc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2N)ccc1Cl 544742942 ZLYHRUYSZFEFEA-UHFFFAOYSA-N 436.859 4.184 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(/C=C/c2nc(-c3ccc([N+](=O)[O-])cc3C)no2)cc1 544786505 SHHUOGOYWBXNRM-MDWZMJQESA-N 442.497 4.154 5 20 IIBD CCc1nc(CN2CCC(CNC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)CC2)cs1 545147154 KZQVQLYUWZCDLT-UHFFFAOYSA-N 448.564 4.059 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(CCOc3ccc(Cl)cc3Br)n2)nc1 546491910 STBFREHZIRJWIX-UHFFFAOYSA-N 439.653 4.001 5 20 IIBD COc1cc(CN2CCO[C@H](c3ccc(F)cc3F)C2)c([N+](=O)[O-])cc1OCC(F)F 548301015 XYVZBNSIKYGQQB-IBGZPJMESA-N 444.381 4.099 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCc2ccc(Br)cc2C1 551666916 WGQIDGRTERGCIO-UHFFFAOYSA-N 439.693 4.365 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 552680086 FCQOCXQPXYNZPS-GAJHUEQPSA-N 443.931 4.140 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccc(OCCCO)cc2)cc1[N+](=O)[O-])c1ccccn1 553695950 LDDVCKBKFZAFIP-INIZCTEOSA-N 436.468 4.176 5 20 IIBD CCOC(=O)C(C)(C)C1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 554146372 WBOYLUHMNMBHQR-UHFFFAOYSA-N 429.420 4.029 5 20 IIBD COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 554581221 UYHJWBMKPPLFOD-UHFFFAOYSA-N 446.419 4.170 5 20 IIBD COc1cc(OC)cc(Oc2cccc(CNC(=O)c3cc(OC)ccc3[N+](=O)[O-])c2)c1 557058911 JBWCQGZAUYNTIN-UHFFFAOYSA-N 438.436 4.343 5 20 IIBD CCc1[nH]nc(C(=O)NC[C@@H](OCc2ccccc2)c2ccc(Cl)cc2)c1[N+](=O)[O-] 557729883 UBPOGEUIMABEJZ-GOSISDBHSA-N 428.876 4.222 5 20 IIBD COc1cc(OC)cc(OCCCN(C)C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c1 560234058 LDRSNWUMMUYIER-UHFFFAOYSA-N 442.390 4.172 5 20 IIBD C[C@H](CN[C@@H](c1ccc([N+](=O)[O-])cc1)c1nccn1C)Oc1cccc(Br)c1 569463552 RBOCJEPUNIPPPA-KUHUBIRLSA-N 445.317 4.237 5 20 IIBD O=C(Nc1cccc(Br)c1Cl)N1CCN(c2ccccc2[N+](=O)[O-])CC1 572101619 XXUUJEAFUDSOTK-UHFFFAOYSA-N 439.697 4.365 5 20 IIBD CCOc1cc(Br)c(F)cc1NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 582214523 WWKWGMOKWROTCT-UHFFFAOYSA-N 427.226 4.464 5 20 IIBD CCc1nn(-c2ccccc2)c(CC)c1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F 583776372 BFJFNLRXPNXXOO-UHFFFAOYSA-N 428.439 4.042 5 20 IIBD C[C@@]1(c2ccc(Cl)s2)NC(=O)N(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1=O 584422815 BLACFVCIHGWNFT-HNNXBMFYSA-N 433.795 4.296 5 20 IIBD O=C(c1nc(-c2ccccc2)n2c1CCCCC2)N1CCN(c2ccccc2[N+](=O)[O-])CC1 603586638 IHVYSRKHWNSJFM-UHFFFAOYSA-N 445.523 4.147 5 20 IIBD O=C(c1cc(F)ccc1F)C1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 603905914 LEWMDLGVTRYFMM-UHFFFAOYSA-N 443.450 4.208 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CCC[C@H]3Cc3ccc(F)cc3)cc2)c(C)c1[N+](=O)[O-] 604024361 HWDNOBGNMWQLJW-QFIPXVFZSA-N 436.487 4.443 5 20 IIBD Cc1cc(C)c(-c2cc(NC(=O)Cn3nccc3[N+](=O)[O-])n(-c3ccccc3)n2)cc1C 604114489 MXZMQPRGMIDNCF-UHFFFAOYSA-N 430.468 4.208 5 20 IIBD O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)c1cc([N+](=O)[O-])cc2c1OCCO2 608933460 GVRUQYGFEYJMPI-UHFFFAOYSA-N 441.343 4.127 5 20 IIBD Cc1cc(NC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)n(-c2ccc([N+](=O)[O-])cc2)n1 608987857 JVCFMZDSEAVBRI-UHFFFAOYSA-N 445.266 4.225 5 20 IIBD CCc1noc(-c2ccc(CCNC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)cc2)n1 609023662 PWNCFFYKGQWELD-UHFFFAOYSA-N 449.492 4.303 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N(Cc1cccc(Br)c1)C1CC1 609490692 SUAWGINXQLSYRA-UHFFFAOYSA-N 442.269 4.416 5 20 IIBD CN1CC[C@@H](CNC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 609521510 MAXAUOKOBRKJJV-ZDUSSCGKSA-N 439.459 4.446 5 20 IIBD C[C@@H](Oc1ccccc1NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccccc1 609652422 WSSDFNCGFDCKGF-OAHLLOKOSA-N 433.420 4.281 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cc(Br)ccc1-n1cccn1 609786311 CFYDPBSMDXVXBJ-UHFFFAOYSA-N 435.665 4.378 5 20 IIBD CC(C)(C)OC(=O)C1(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCC1 609790649 LVFZECSIVKLXFU-UHFFFAOYSA-N 448.463 4.476 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)c1n[nH]c2c1CCC2 609796626 FQUXDFKWAICJPW-UHFFFAOYSA-N 430.823 4.321 5 20 IIBD C[C@H]1[C@@H](C)SCCN1C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 609819464 MAOHDCNSQCFOGA-DLBZAZTESA-N 436.537 4.342 5 20 IIBD Cc1nc([C@H]2CCCCN2C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])no1 609975790 UHDAJJCAUYDZIF-GFCCVEGCSA-N 430.408 4.151 5 20 IIBD Cc1ccc([C@H]2CCCCCN2C(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)o1 609984575 PCCXVAYAJSHANG-LJQANCHMSA-N 436.468 4.108 5 20 IIBD CCCC[C@@H](NC(=O)c1cc(C)ccc1[N+](=O)[O-])C(=O)Nc1cccc(N2CCCC2)c1 610226612 RUIQGQSADBIJGK-OAQYLSRUSA-N 438.528 4.431 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N(C)[C@@H]3CCCc4c3cnn4C)cc2[N+](=O)[O-])n1 610977074 LFCPGELHZRVDIQ-OAHLLOKOSA-N 443.554 4.394 5 20 IIBD O=C(c1cc2c(C(F)(F)F)cc(O)nc2o1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 611223518 KZSYGHRJAZMVLZ-KRWDZBQOSA-N 439.371 4.348 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCC[C@H](c2nnc(O)o2)C1 619868335 SOQNPDFLELMOOS-ZDUSSCGKSA-N 444.831 4.149 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NCc1cccc(COCc2ccco2)c1 725821990 NNYKMIJZWXQWSJ-UHFFFAOYSA-N 436.873 4.037 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)ccc1[N+](=O)[O-] 726528396 UDUOMNGARGUICN-NRFANRHFSA-N 447.495 4.153 5 20 IIBD C[C@H](OC(=O)c1csc(-c2ccc(O)cc2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 726646705 WLNWVYYKFFMSPD-JTQLQIEISA-N 447.856 4.261 5 20 IIBD COc1cccc([C@@H](C)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)c1 727330212 OEJAHHAXROOGJQ-CQSZACIVSA-N 437.418 4.075 5 20 IIBD CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)COc3ccccc3[N+](=O)[O-])ccc21 729413145 QEBAREAYHWDNHW-UHFFFAOYSA-N 427.457 4.300 5 20 IIBD O=C(COC(=O)/C=C\Sc1ccccc1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 730037259 QHGRYTDXBFYULP-HJWRWDBZSA-N 426.372 4.401 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2cccc(SC(F)F)c2)c1 731179191 XBGNIVVYFIJEDM-UHFFFAOYSA-N 439.259 4.473 5 20 IIBD CC1=C(C(=O)N(C)C)[C@H](c2ccc(C)c([N+](=O)[O-])c2)NC(=S)N1c1ccc(C)c(F)c1 732088787 XEDNKMLJJSSYJS-FQEVSTJZSA-N 442.516 4.149 5 20 IIBD O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1ccc(Cl)c([N+](=O)[O-])c1 733938865 KVIPLMSJZTZJRK-LBPRGKRZSA-N 429.782 4.156 5 20 IIBD C[C@H](c1ccccc1)N1CCC(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 734782682 GGOKLPIOMIJUTD-CQSZACIVSA-N 432.318 4.313 5 20 IIBD CCCCOCCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(Br)cc1 736171805 VJYLBJQAICLRMR-UHFFFAOYSA-N 436.306 4.403 5 20 IIBD C[C@@H](OC(=O)[C@H](C)c1ccsc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 738827882 MONYFTHLJMBHBJ-VXGBXAGGSA-N 431.495 4.454 5 20 IIBD Cc1nc(-c2ccc(Br)cc2)c(NC(=O)c2cc([N+](=O)[O-])ccc2F)n1C 741606040 LOILBAXCRSMTPF-UHFFFAOYSA-N 433.237 4.458 5 20 IIBD Cc1ccc([C@H](NC(=O)COC(=O)c2cc(F)ccc2[N+](=O)[O-])c2cccs2)cc1 743205763 SLNJPNARZZIXQB-FQEVSTJZSA-N 428.441 4.166 5 20 IIBD COc1ccc(OCCOC(=O)c2ccccc2NC(=O)c2ccsc2)c([N+](=O)[O-])c1 744617225 VWNMVCLTOKSYGP-UHFFFAOYSA-N 442.449 4.153 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(N(C)Cc2ccccc2)cc1 746147673 YFEODSRMXOKGMO-HXUWFJFHSA-N 436.516 4.102 5 20 IIBD COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)OCCn2cc([N+](=O)[O-])cn2)cc1 748106752 VCKWSORXZZGMSP-UHFFFAOYSA-N 434.452 4.124 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)OCc2coc(-c3c(F)cccc3F)n2)cc1OC 751623028 IVDLQBXVQUUMMV-UHFFFAOYSA-N 434.351 4.292 5 20 IIBD CCC(=O)Nc1ccc(C(=O)COC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1 753432221 LDARRFLFSAZPOT-UHFFFAOYSA-N 449.257 4.054 5 20 IIBD Cc1cc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)n2)ccc1F 754010419 OFZPWFZWWWGEPK-UHFFFAOYSA-N 442.472 4.255 5 20 IIBD COc1ccc(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1-c1ccccn1 755004101 GHNLDBUDCMOPJY-UHFFFAOYSA-N 432.392 4.072 5 20 IIBD CCS[C@@H](C)c1noc(CN(C)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)n1 755029748 XMKUZLXJMPSRJT-VIFPVBQESA-N 444.311 4.218 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3csc([C@H]4CCCO4)n3)CC2)ccc1[N+](=O)[O-] 756565057 JSFWKUDTMHHXPU-GOSISDBHSA-N 447.513 4.127 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])O[C@@H]([C@H]1CCCO1)C(F)(F)F 758003503 DELKFZCKOLOREI-MFKMUULPSA-N 433.326 4.359 5 20 IIBD CC(C)(C)OC(=O)N1CCC(CCc2nc(CCNc3ccccc3[N+](=O)[O-])no2)CC1 761970449 SBQFTVJRECZNHT-UHFFFAOYSA-N 445.520 4.212 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c(Br)c1 763402600 KNULHAOMHIDWJY-CHWSQXEVSA-N 435.274 4.340 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])c2cccnc12)Nc1ccc(N2CCCCCC2)cc1 766224108 TXCULIJLRDURFW-UHFFFAOYSA-N 448.479 4.319 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cc(Br)ccc2Cl)c2ncccc12 766520421 PJHRPSIYYGJTJD-UHFFFAOYSA-N 443.662 4.327 5 20 IIBD C[C@H](SCC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 767218822 IEHPCYYXHIZXCB-ZDUSSCGKSA-N 441.525 4.441 5 20 IIBD Cc1c(C(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 768076436 WNGRBNJCNLTAQS-UHFFFAOYSA-N 442.255 4.061 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)cs1 768864931 XMYFZZGOOLOZAL-UHFFFAOYSA-N 432.458 4.063 5 20 IIBD COc1ccc2nc(Cl)ccc2c1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 768864986 GCBJACJAOJZYDY-UHFFFAOYSA-N 428.253 4.259 5 20 IIBD Cc1ccc(Br)cc1NC(=O)CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 770021314 WTVYHKOWBVPPTL-UHFFFAOYSA-N 441.669 4.079 5 20 IIBD O=C(Cc1cc(Cl)ccc1Br)OCc1nc2cc([N+](=O)[O-])ccc2o1 771388177 KEFDVUAELTZHFR-UHFFFAOYSA-N 425.622 4.438 5 20 IIBD CC[C@@H](OC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1cc(C)ccc1OC 772490952 AQFPMEBXNUUCGH-GOSISDBHSA-N 428.441 4.294 5 20 IIBD Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)c1 773993981 SKOIMVWWPDVGML-UHFFFAOYSA-N 437.525 4.091 5 20 IIBD C[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 775189647 CUFQGFNNRFKEBE-OLZOCXBDSA-N 441.469 4.304 5 20 IIBD CCOCCONC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 775232095 FEQUSDFZEZOEGX-DTQAZKPQSA-N 427.482 4.220 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C 777929498 CHOOWOWXMBGBBC-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD COc1cc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc(OC)c1Br 778075769 ZLGHBUJFOHOYAJ-UHFFFAOYSA-N 431.189 4.105 5 20 IIBD O=C(COc1cccc(NC(=O)c2ccco2)c1)OCc1ccc([N+](=O)[O-])cc1Cl 778087694 KTKQLLJSMXWZAT-UHFFFAOYSA-N 430.800 4.216 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1cnn(-c2ccccn2)c1C(F)(F)F 778087910 NDBZETARGFZRHP-UHFFFAOYSA-N 426.738 4.205 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(O)(c2c(F)cccc2F)CC1 779247878 DJNOXPUFLUKTOG-UHFFFAOYSA-N 436.480 4.497 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC[C@H](c1ccccc1Cl)N1CCCC1 781570091 XXSGSTCIHITSOJ-HXUWFJFHSA-N 446.891 4.042 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)O[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)cc1[N+](=O)[O-] 782988941 ZDYUVNHZDJOEKY-JTQLQIEISA-N 432.776 4.433 5 20 IIBD O=C(OCCO[C@@H]1CCCCO1)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 787579666 XSRCLFCMKWSVTC-LJQANCHMSA-N 433.844 4.179 5 20 IIBD C[C@H](OC(=O)Cc1ccc(Br)c(Cl)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 787824054 VJZNHGDOCWLHQX-JTQLQIEISA-N 441.665 4.124 5 20 IIBD CCN(Cc1cccc(NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)c1)C(=O)C(F)(F)F 788129464 VTWCQIKSLOKGMZ-UHFFFAOYSA-N 427.354 4.205 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCOC[C@@H]2C)cc1 790549062 UOOAFAKUSZUOSB-LBPRGKRZSA-N 434.290 4.143 5 20 IIBD C[C@H](NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)c1cccc([N+](=O)[O-])c1 790689733 KDPNHGRSGGDOOL-NSHDSACASA-N 449.261 4.094 5 20 IIBD Cc1csc(Sc2ccc(C(=O)OC[C@H]3CC4(CCC4)C(=O)O3)cc2[N+](=O)[O-])n1 791275093 MQUYGCAEZIXYHS-CYBMUJFWSA-N 434.495 4.154 5 20 IIBD CC(=O)c1cc(Br)ccc1OCC(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 797043167 JDYJQZUYOLLBMM-UHFFFAOYSA-N 442.649 4.336 5 20 IIBD CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)OCCn1cnc([N+](=O)[O-])n1 797555466 CZXWVTXRFGVRNI-UHFFFAOYSA-N 440.243 4.129 5 20 IIBD COC(=O)[C@H](OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1C(F)(F)F 800471750 UQBZPEJMDMPUDW-GOSISDBHSA-N 436.342 4.095 5 20 IIBD CCCc1c(NC(=O)C(=O)Nc2c(F)ccc([N+](=O)[O-])c2C)cnn1-c1ccccc1C 800633656 HHDDHKKFVSEMDR-UHFFFAOYSA-N 439.447 4.066 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3COc4ccccc4[C@H]3O)o2)c(Br)c1 808452602 MJIFUVBHZXWTCQ-FXAWDEMLSA-N 445.269 4.202 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 808467573 ACTVHXAAFCULID-HDJSIYSDSA-N 425.913 4.309 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)CC1 809183039 ARKCUFRMTXMYCX-UHFFFAOYSA-N 444.875 4.068 5 20 IIBD O=C(CSc1nnc(-c2ccco2)o1)OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811049197 RZUCTNUXUPLLFS-UHFFFAOYSA-N 430.225 4.380 5 20 IIBD Cc1nc(-c2ncccn2)sc1C(=O)OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811083936 RSRQDXGJCLQXIP-UHFFFAOYSA-N 425.253 4.481 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N[C@H](CO)c1ccc(Br)c(F)c1 814630772 UEFFDSWXCXGGAR-CYBMUJFWSA-N 432.633 4.005 5 20 IIBD O=C(OCc1csc(-c2cccs2)n1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 904221275 OAHQRYDFEWTYMR-NSHDSACASA-N 447.469 4.015 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 907642941 CGQAMTYRPKBZFZ-SNVBAGLBSA-N 442.649 4.204 5 20 IIBD Cc1ccc(-c2csc(NC(=O)[C@H]3CC(=O)N(c4ccc(F)c([N+](=O)[O-])c4)C3)n2)s1 913127433 WFWZFTHCYOHSFO-NSHDSACASA-N 446.485 4.219 5 20 IIBD C[C@@H](OC(=O)c1cccc(Nc2ncccn2)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 914627222 KHCWUUQUJHSRRX-CYBMUJFWSA-N 432.396 4.096 5 20 IIBD O=C(CC[C@@H]1CCCO1)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 914971308 SJUSBYYOHNBJEE-JXFKEZNVSA-N 432.860 4.430 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)Oc1ccc(N(C)S(=O)(=O)c2ccccc2F)cc1 921303690 QHDKMHVPAXXUAO-UHFFFAOYSA-N 444.440 4.087 5 20 IIBD Cc1nn(-c2ccccc2)c2sc(-c3nnc(CCn4cc([N+](=O)[O-])nc4C)o3)cc12 1117206033 QMQCJKKVELXGIP-UHFFFAOYSA-N 435.469 4.101 5 20 IIBD O=[N+]([O-])c1ccc(CN(c2nnc(C3CCCCC3)n2C[C@H]2CCOC2)C2CC2)cc1 1263518383 MHDUSSATKUBAIS-GOSISDBHSA-N 425.533 4.440 5 20 IIBD Cc1c(I)cccc1NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 1320224802 YWCNGCBQYZMHOI-UHFFFAOYSA-N 449.204 4.014 5 20 IIBD COc1cccc(NC(=O)COc2ccc(-c3nnc(-c4cccc([N+](=O)[O-])c4)o3)cc2)c1 1322660261 LDCHYAFSQGUGHS-UHFFFAOYSA-N 446.419 4.338 5 20 IIBD CCCCOc1ccc(-c2nnc(-c3cc([N+](=O)[O-])cc4c3OCCO4)o2)cc1OC 1326255637 TUXBNNYTWSVYLQ-UHFFFAOYSA-N 427.413 4.271 5 20 IIBD CC(C)c1noc(CCNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)n1 1341378212 ZIQIBHFKEOBMIH-UHFFFAOYSA-N 443.891 4.339 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]3C3CC3)CCC2)cc1 1785792021 PNHYVGCFIYHRAU-YADHBBJMSA-N 433.508 4.318 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)c3ccccc3O)CCC2)cc1 1785792201 UVGKTQOABBCJDJ-UHFFFAOYSA-N 445.475 4.291 5 20 IIBD CCc1nc(C(=O)NC2(c3ccc(NC(=O)Cc4cccc([N+](=O)[O-])c4)cc3)CCC2)co1 1785793586 JISDFQWZMDJRBH-UHFFFAOYSA-N 448.479 4.136 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)CCC1)c1cc2ccccc2o1 1789689444 VICLQLKQUZLWAY-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3nc[nH]c3[N+](=O)[O-])CCC2)cc1)c1ccccc1 1791337301 FDHRHNYQTCXQFJ-MRXNPFEDSA-N 447.495 4.259 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2)[nH]n1)c1cccc(F)c1[N+](=O)[O-] 1821172802 RJLQXRUMQWFHFC-GOSISDBHSA-N 437.431 4.077 5 20 IIBD CC(C)(C)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)n[nH]1 1821841209 FEOIZSIHSSXXRT-GOSISDBHSA-N 445.495 4.128 5 20 IIBD CC1(C)CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3ccc([N+](=O)[O-])o3)[nH]n2)C1 1822470485 IZVUXZPZLQRRHK-JKNJVXJCSA-N 441.488 4.053 5 20 IIBD C[C@@H](OC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C(=O)N1CCCCCC1 7196493 LNNNESGNCUJSTC-QGZVFWFLSA-N 425.485 4.155 5 20 IIBD C[C@@H]1Cc2cc(C(=O)OCc3nc4ccccc4c4ccccc34)ccc2N1S(C)(=O)=O 10376915 FJTHIVPFNBIBHG-MRXNPFEDSA-N 446.528 4.456 5 20 IIBD CCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OCC 11341567 YIQFPONKQJWZMQ-GFCCVEGCSA-N 436.848 4.230 5 20 IIBD Cc1ccc(NC(=O)[C@@H](Sc2ncnc3c2cnn3C)c2ccccc2)c([N+](=O)[O-])c1 11677109 DSFZGTDYZQJIGA-SFHVURJKSA-N 434.481 4.052 5 20 IIBD C[C@@H](OC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O)c1cccc([N+](=O)[O-])c1 21665634 VCLWGDUVDAHKGE-OAHLLOKOSA-N 432.432 4.429 5 20 IIBD COc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C 22212761 JGWTWTBRTFWQEF-LLVKDONJSA-N 447.904 4.172 5 20 IIBD C[C@@H](Nc1ccc(N2CCCC2=O)c(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 25211122 NIBGDVFXGJTDQK-LLVKDONJSA-N 437.283 4.468 5 20 IIBD Cc1cc(C)cc(NC(=O)[C@@H](C)OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 28774956 AYOILAFNYRLPDU-GOSISDBHSA-N 428.488 4.342 5 20 IIBD Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 110762318 QFWZVVNXIGWSHC-JOCHJYFZSA-N 442.479 4.463 5 20 IIBD O=C1[C@H](NCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCN1CC(F)(F)F 237864155 VABXMYOZPKRCEB-OAHLLOKOSA-N 443.809 4.293 5 20 IIBD Cc1cc(N2CCC(c3nc(-c4ccccn4)no3)CC2)c(Br)cc1[N+](=O)[O-] 302671432 KSFHBJMVTBPOFP-UHFFFAOYSA-N 444.289 4.495 5 20 IIBD O=C(Nc1ccc(Oc2ccc(CO)cc2)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 428004392 GMPVXNSFIYYWOI-UHFFFAOYSA-N 430.420 4.317 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](N[C@@H]1Cc2cccc(O)c2C1)c1ccccc1 429316892 MOWIAXDFLZPIEE-OPAMFIHVSA-N 437.883 4.391 5 20 IIBD CC(C)(NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)c1ccc([N+](=O)[O-])cc1 430544788 GSDABPXPVMFGKO-UHFFFAOYSA-N 425.872 4.123 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2cnccc2-c2ccccc2)c1 432354515 XSEICXPAYIXFMH-UHFFFAOYSA-N 434.271 4.220 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1C 435221368 BMTMFVMPRFINRD-GFCCVEGCSA-N 449.476 4.255 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCO[C@H](c2cccc(F)c2)C1 436347935 URFLHIUBAXPZDO-NRFANRHFSA-N 438.405 4.312 5 20 IIBD C[C@H](NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)c1nc(C(C)(C)C)no1 437136228 PQUGZBDYVJWZJU-KFWWJZLASA-N 429.521 4.249 5 20 IIBD CN(C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 437943393 SYPCBBUENBAJNW-TYCQWZJGSA-N 441.553 4.070 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)Nc2nc3ccsc3s2)cc1[N+](=O)[O-] 438810610 KBZXHBVXILMMMS-UHFFFAOYSA-N 434.318 4.138 5 20 IIBD O=C(NC1(c2noc([C@H]3CCOC3)n2)CCCCCC1)c1ccc(Cl)cc1[N+](=O)[O-] 439932739 HQEOWYWAZUEJDR-ZDUSSCGKSA-N 434.880 4.115 5 20 IIBD O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCN(CC(F)(F)F)CC1 442279212 DOMXAPDMZKZYOW-UHFFFAOYSA-N 425.432 4.066 5 20 IIBD C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 443630178 VBVJDYOPUBVXSI-CYBMUJFWSA-N 446.916 4.484 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@@H](Oc2ccccc2Cl)C1 443740672 BNTRKBTYRQVOND-GFCCVEGCSA-N 431.297 4.134 5 20 IIBD C[C@H](C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccc(Br)s1 443834229 ZCDZDCPANIVIEC-VIFPVBQESA-N 427.276 4.322 5 20 IIBD O=C(NC1CCN(C2CCCC2)CC1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444110152 PEQWOVYBLHCNAQ-UHFFFAOYSA-N 425.479 4.096 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 444631511 LZBXJOIQFHMAPE-LSDHHAIUSA-N 433.493 4.447 5 20 IIBD COC(=O)c1occc1CN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@H](C)c1ccccn1 446124440 AMKYVCYLQLTSQB-MRXNPFEDSA-N 437.452 4.092 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nnc(-c3cc4c(s3)CCCC4)o2)c1C 446779713 BJDNTYGUSJCICJ-UHFFFAOYSA-N 434.499 4.003 5 20 IIBD CS(=O)(=O)[C@H]1CCCCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 446842193 VEGCEQGZMBNVFE-INIZCTEOSA-N 438.933 4.440 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCN(CCc2cccs2)CC1 447671423 QCWDAVDRZSGKQB-UHFFFAOYSA-N 436.406 4.070 5 20 IIBD C[C@@H]1CCCN(C(=O)C2CCN(c3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)CC2)C1 462490688 BNNAGQNPMKVRPQ-GOSISDBHSA-N 438.528 4.044 5 20 IIBD Cc1cccc(-n2c(S[C@H](C)c3ccccc3[N+](=O)[O-])nnc2N2CCOCC2)c1 463251766 VFTFDAFQFRAUCP-MRXNPFEDSA-N 425.514 4.174 5 20 IIBD CC[C@@H]1Oc2cc([C@H](C)Nc3ccc(C(=O)NC(C)C)cc3[N+](=O)[O-])ccc2NC1=O 467008513 YEFZOLQDVOLPQX-DJJJIMSYSA-N 426.473 4.016 5 20 IIBD COc1ccc(CSCC(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)cc1[N+](=O)[O-] 469243697 ZQLDSNOKLWOCEC-IBGZPJMESA-N 436.917 4.090 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1c1ccc(C(C)C)cc1 469322976 KLONPWGMVYYMNP-LJQANCHMSA-N 432.498 4.031 5 20 IIBD CN(C)[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(C(F)(F)F)c1 469487596 IXGXRCULDREIBA-IBGZPJMESA-N 434.418 4.057 5 20 IIBD CC(C)(C)[C@@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccc(F)cc1F 469589764 AAPIPCRKRCRLBY-FQEVSTJZSA-N 445.422 4.044 5 20 IIBD CCn1c(SCC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1 470697645 TYEOVYKFQPGISL-UHFFFAOYSA-N 435.868 4.397 5 20 IIBD Cc1ccc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1NC(=O)c1ccccc1F 470893706 WGCNDKDPBJOCAO-UHFFFAOYSA-N 449.438 4.198 5 20 IIBD COc1ccccc1[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)OC(C)C 471535974 HWOGJCCNJILEMY-SFHVURJKSA-N 437.290 4.262 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F 472686322 LTHIBFJKCCAUQO-DOTOQJQBSA-N 439.365 4.144 5 20 IIBD O=C(NC[C@H]1CCN(Cc2ccccc2)C1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 473303758 QEXWKNCLNYSBLB-QGZVFWFLSA-N 447.485 4.211 5 20 IIBD CCOc1c(OC)cc(CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1OC 475207254 GIAMGWMZZPCDAJ-UHFFFAOYSA-N 443.378 4.351 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CCO[C@@H](c3ccc(F)cc3Cl)C2)c1Br 475735668 UBPWWBORMYDMOG-CQSZACIVSA-N 430.661 4.431 5 20 IIBD CCOc1cc(OCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)ccc1[N+](=O)[O-] 478715349 COVQKYYFPBEWCJ-UHFFFAOYSA-N 441.465 4.325 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(CCc2ccccc2)Cc2ccncc2)c1C 480978988 KLCCOKIVWRNKGR-UHFFFAOYSA-N 425.510 4.040 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CCO)Cc1ccc(Br)s1 482972400 ANBAYRRDZCOYLH-AWEZNQCLSA-N 441.347 4.009 5 20 IIBD COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 483874124 SWFMKQSAUOBNRB-SNVBAGLBSA-N 426.256 4.035 5 20 IIBD Cc1cc(NS(=O)(=O)Cc2ccccc2C(F)(F)F)n(-c2ccc([N+](=O)[O-])cc2)n1 485453927 WLMOPODCZYXBNZ-UHFFFAOYSA-N 440.403 4.050 5 20 IIBD CCN(Cc1nc(O)c2cc(OC)c(OC)cc2n1)[C@H](C)c1cc([N+](=O)[O-])ccc1C 485737843 MWRYCTHZNQSIID-CQSZACIVSA-N 426.473 4.152 5 20 IIBD NC(=O)CN(Cc1ccccc1)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 486073076 BVRHDPMABOYQED-UHFFFAOYSA-N 439.855 4.168 5 20 IIBD O=C(N[C@H]1CCN(c2ccccc2OC(F)F)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 487318650 DGDGGDLLVLQLJR-INIZCTEOSA-N 446.454 4.149 5 20 IIBD CN(Cc1ccccc1Br)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 488300446 ZAHDLVCBEIHSCF-UHFFFAOYSA-N 426.698 4.395 5 20 IIBD C[C@@H](NS(=O)(=O)c1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 490998727 QQIBHNJXLWHTHM-KHSSZTOVSA-N 449.554 4.012 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)N1CCS[C@H]2COCC[C@H]21 494429565 KAZCZYQBZIZSCB-UXHICEINSA-N 447.944 4.207 5 20 IIBD C[C@@H]1CCC[C@@H](OCCCCCC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 499849845 ZIVKBBIJAAMOBN-DENIHFKCSA-N 445.560 4.035 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 501254519 TYPJKDWDHOFOSI-UHFFFAOYSA-N 443.456 4.007 5 20 IIBD COC(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC(F)(F)F)cc1 502700038 UEZCSCGWTYSRRX-HNNXBMFYSA-N 446.765 4.181 5 20 IIBD COCCCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 502786163 XGDLTIGJZHYYPZ-KPACCLEDSA-N 426.517 4.308 5 20 IIBD O=C(N[C@H]1CCCc2occc21)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 504302230 JOCRSOCDQHLABN-HNNXBMFYSA-N 438.406 4.116 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2ccc(Cl)c(C[S@@](C)=O)c2)cc1[N+](=O)[O-] 510046661 WLNWJHHOLTYPPI-RUZDIDTESA-N 445.722 4.450 5 20 IIBD COc1cc(CN(C)CCCc2cc(-c3ccc(F)cc3)n(C)n2)c([N+](=O)[O-])cc1OC 510444888 OVVHPUNQYCMPKG-UHFFFAOYSA-N 442.491 4.216 5 20 IIBD O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 511496613 CJEZUFUPPCPFRU-UHFFFAOYSA-N 444.278 4.412 5 20 IIBD CCOc1ccc(S(=O)(=O)N(C)C)cc1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 511763063 PQHMBTOWSARLCU-UHFFFAOYSA-N 445.497 4.116 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCO[C@@]4(CCc5ccccc54)C3)cc2[N+](=O)[O-])CC1 512223407 CUZGVUYLSWFXEQ-VWLOTQADSA-N 435.524 4.145 5 20 IIBD O=C([C@@H]1CCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)N1CCSCC1 512658466 UBNVKZFKFCCABU-SFHVURJKSA-N 435.933 4.048 5 20 IIBD O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 513281611 SEPLITCPKIBBFB-UHFFFAOYSA-N 438.267 4.098 5 20 IIBD COc1cc(OC)cc(C2(F)CCN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])CC2)c1 513442495 HHBPVBOMYAJOQR-UHFFFAOYSA-N 430.476 4.377 5 20 IIBD CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 515403275 BJPKRUPPHQUGNH-DKSSEZFCSA-N 433.302 4.438 5 20 IIBD O=C(N[C@@H](c1ccccc1)c1cccc(Cl)c1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 517557574 IXAQLHIBTNVOOT-NRFANRHFSA-N 433.855 4.348 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)cc([N+](=O)[O-])c1 518299348 SVUMBXJKRWUFAK-UHFFFAOYSA-N 447.447 4.300 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccc(C(F)(F)F)cc1 522323574 SXEBURNAVJCPAO-XLIONFOSSA-N 449.429 4.182 5 20 IIBD COc1ccccc1[C@H]1CCN(C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)C1 523126376 UQEXIKKTGSLXMD-FQEVSTJZSA-N 434.496 4.095 5 20 IIBD C[C@@H](CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)Oc1ccccc1 524049611 QUHMSUPUHXNGJW-LBPRGKRZSA-N 435.267 4.285 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N(CCc1ccccc1)Cc1ccncc1 524213434 OVOGZTBJORKVMH-UHFFFAOYSA-N 428.448 4.129 5 20 IIBD CSc1ccc(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-] 525040539 JDBMTHQJUDTLBC-UHFFFAOYSA-N 435.811 4.193 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCc2ncccc2F)cc1[N+](=O)[O-] 530301442 VHSIHEKPCCJWIG-UHFFFAOYSA-N 425.441 4.012 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 533417430 SIQNKCISESUZMK-KRWDZBQOSA-N 442.274 4.361 5 20 IIBD CCN(CC)C(=O)[C@@H](c1ccccc1)[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534796742 UIKNITZRZQVUSU-PLTNMMHCSA-N 441.509 4.108 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(OCc2cn3ccccc3n2)cc1 535388853 TWMSFFZRABHDFU-UHFFFAOYSA-N 441.447 4.484 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CN3CCC4(CC3)CCN(Cc3ccccc3)C4)n2)c1 536486455 SBFPOSAIWYHKCS-UHFFFAOYSA-N 433.512 4.133 5 20 IIBD COc1cccc(-c2noc([C@H](C)NC(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])n2)c1 537287555 AFTIOTQPYFESPY-AWEZNQCLSA-N 445.435 4.206 5 20 IIBD CCn1c(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])nc2cc(Cl)ccc21 537801202 BNYMECAOUSRCDK-UHFFFAOYSA-N 440.790 4.480 5 20 IIBD COc1ccc(-c2ccc(CNCc3cc(OC)c(OC)c(OC)c3)o2)c([N+](=O)[O-])c1 538312785 JDVBYQMRQGNAFH-UHFFFAOYSA-N 428.441 4.179 5 20 IIBD O=C(N[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 539696161 BZWLAGNEMABINA-IAGOWNOFSA-N 445.401 4.260 5 20 IIBD COC[C@H](N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccco1 541627251 PMKIKNKHFOWBBE-ICSRJNTNSA-N 429.860 4.498 5 20 IIBD COc1ccc(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1Br 543147166 VSAOCDZYOGSGDW-UHFFFAOYSA-N 445.722 4.428 5 20 IIBD O=C(NCCCc1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1)c1ccc(Cl)cc1 545850180 FZQNJGWGIFQWBD-UHFFFAOYSA-N 439.859 4.066 5 20 IIBD Cc1cccc(Oc2ncccc2NC(=O)C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c1C 549750728 OLVQMJHXOFWKTF-UHFFFAOYSA-N 448.479 4.039 5 20 IIBD O=[N+]([O-])c1cc2c(NC[C@H]3CCN(c4ccc(Br)cc4)C3)ncnc2s1 553290704 FVSKDZFUFDLKHX-LLVKDONJSA-N 434.319 4.300 5 20 IIBD CCOC(=O)c1cc(C(=O)N(C)[C@@H](C)Cc2ccccc2C(F)(F)F)cc([N+](=O)[O-])c1 554122415 FKUQPDXCEZPIHE-ZDUSSCGKSA-N 438.402 4.494 5 20 IIBD COc1ccc(CCC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c(OC)c1OC 561636824 XAGIPDRBTGPLQY-UHFFFAOYSA-N 428.363 4.211 5 20 IIBD COc1cc(CN2C[C@H](N3CCCC3)C[C@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 564306826 LXOUKHAISGCQIH-XMSQKQJNSA-N 425.529 4.241 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCCN(c3cccc(Cl)c3C)CC2)cc1OC 564357076 QPINOQANDYQNBW-UHFFFAOYSA-N 447.919 4.316 5 20 IIBD CCOc1c(Br)cc(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1OC 565321195 KKDXMXMBXPUXDA-UHFFFAOYSA-N 437.290 4.079 5 20 IIBD COc1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c(OC)n1 574560865 SMBUFIHHWKTKGX-UHFFFAOYSA-N 445.479 4.150 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)cc1[N+](=O)[O-] 578918088 FCQKSLTXPKDFME-UTKZUKDTSA-N 439.512 4.115 5 20 IIBD C[C@@H](CC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)c1ccc(C(F)(F)F)cc1 579753977 DOUGOUWQGCIQST-HNNXBMFYSA-N 449.429 4.092 5 20 IIBD COc1cc([C@H](NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C(F)(F)F)cc(OC)c1OC 581585260 UOLYPNQAQAVPHV-VOJFVSQTSA-N 442.390 4.144 5 20 IIBD O=[N+]([O-])c1cccc(OC[C@H](O)CNC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)c1 583708581 HEYZEOWLFIYZNE-OFNKIYASSA-N 431.492 4.238 5 20 IIBD O=C(NCCCN1CCCCCC1=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 603452297 LIBRDXSHYIRHAD-UHFFFAOYSA-N 427.526 4.269 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(I)cc1 603638277 AKJFYAMGUHKLAK-UHFFFAOYSA-N 434.136 4.053 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)no1)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 608780163 GGAQDYODEBOOJD-UHFFFAOYSA-N 426.448 4.282 5 20 IIBD O=C(Nc1ccnn1Cc1c(Cl)cccc1Cl)c1cc([N+](=O)[O-])cc2c1OCCO2 608933404 FZYNJJIOOZLXHF-UHFFFAOYSA-N 449.250 4.170 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 609444734 UOSIAXPKMCSMLY-UHFFFAOYSA-N 426.816 4.156 5 20 IIBD CC[C@H](c1ccccc1)c1nnc(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)s1 609550431 XIKKLLGRMIIVMB-CQSZACIVSA-N 435.465 4.494 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 609787587 KJRADZKYYVGQIO-AWEZNQCLSA-N 427.810 4.205 5 20 IIBD O=C(Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 609817461 QDUMTIVLZGAGRT-UHFFFAOYSA-N 432.392 4.064 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(F)cc2OCC2CC2)ccc1[N+](=O)[O-] 610123558 OJKHRONYALIIHR-FQEVSTJZSA-N 441.459 4.074 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2ccccc2S(=O)(=O)C(C)C)cc1[N+](=O)[O-] 611073189 LOZNXWDYWSDHIG-UHFFFAOYSA-N 441.303 4.100 5 20 IIBD Cc1cc(CNC(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)ncn1 611140405 CYSTVTCULBIDEL-UHFFFAOYSA-N 445.838 4.277 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N[C@H](CO)CC1CC1 611295845 ZXVKXJGWPWPOOD-PNDHZVEESA-N 437.521 4.412 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@H](C[C@H]2CCOC2)C1 611356006 OVTPQRDTQODDSN-HUUCEWRRSA-N 429.439 4.081 5 20 IIBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccc(NC(=O)c2cccs2)cc1 619214144 HGRHCEHCGHIRQN-UHFFFAOYSA-N 439.449 4.322 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@H]1c1ccc2c(c1)OCCO2 652582751 KHSAXQMGOXRLBS-NRFANRHFSA-N 440.499 4.290 5 20 IIBD COc1ccc(NC(=S)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1F 726448660 QZKQPTANVHUZAS-UHFFFAOYSA-N 432.399 4.160 5 20 IIBD C[C@H](OC(=O)CCc1cccc(OC2CCCC2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 727889801 IRMBVGWJPQKLFM-INIZCTEOSA-N 426.469 4.419 5 20 IIBD O=C(NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 727957463 OFUUAAPEGWRCHE-ZJUUUORDSA-N 449.699 4.164 5 20 IIBD Cc1c(C(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 728167387 VHIFZPSQLIVGFE-UHFFFAOYSA-N 434.792 4.430 5 20 IIBD COc1cc(C(=O)NC[C@H](OC)C(F)(F)F)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 733239779 FHTYBEDHMJGRDP-INIZCTEOSA-N 448.781 4.356 5 20 IIBD CCN(C)C(=O)c1cccc(OC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c1 733765376 SWBZBFBZTZOHGU-IRXDYDNUSA-N 439.512 4.388 5 20 IIBD COc1ccccc1O[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 742784779 SOMSUKYXLXKUQF-QGZVFWFLSA-N 427.501 4.037 5 20 IIBD O=C(OCc1ccccc1)N1CCO[C@@H](c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 743053835 ZFOBSYWGPXZZQA-LJQANCHMSA-N 425.466 4.428 5 20 IIBD O=C(OCC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)c1cc(F)ccc1[N+](=O)[O-] 743198353 XIBVZTFUQGLJCX-OAQYLSRUSA-N 434.423 4.065 5 20 IIBD CC(C)CO[C@@H](C)c1noc(COC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)n1 744455642 KGWMGORCMFXPIA-INIZCTEOSA-N 446.504 4.305 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c(Cl)c1 744563141 XTOKQNGTPOFPNQ-AWEZNQCLSA-N 431.876 4.341 5 20 IIBD CC(C)c1c(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cnn1-c1ccc(F)cc1 744690363 BULBRKMGATXWSD-AWEZNQCLSA-N 440.431 4.227 5 20 IIBD Cc1sc(NC(=O)COC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c(C)c1C 744870730 ZEIZMJWFPCRIPW-NSHDSACASA-N 426.878 4.184 5 20 IIBD C[C@H](OC(=O)[C@H]1CCCCN1Cc1ccccc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 745105602 VRRMRQNHHVFXDF-OXJNMPFZSA-N 436.468 4.304 5 20 IIBD O=C(COC(=O)[C@H]1SCCc2ccccc21)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 745471901 BVNCSUCLKIYDAO-KRWDZBQOSA-N 440.399 4.126 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1F)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 746941700 NIUKCTZTMVHCHT-UHFFFAOYSA-N 441.864 4.217 5 20 IIBD COc1ccc(C(=O)[C@H](C)OC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c(OC)c1 747961789 ISGWMLYAAHJJMP-LBPRGKRZSA-N 442.449 4.164 5 20 IIBD O=[N+]([O-])c1ccc(NC[C@@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)c([N+](=O)[O-])c1 748793511 HLIOPZMXALSUSN-CQSZACIVSA-N 439.268 4.384 5 20 IIBD Cc1cc(C)c(NC(=O)COC(=O)c2ccc(Br)cc2[N+](=O)[O-])c(Cl)c1 750966700 XOAPSIWYEVZAMG-UHFFFAOYSA-N 441.665 4.423 5 20 IIBD C[C@H](Cc1cccc(Br)c1)NC(=O)c1cc([N+](=O)[O-])ccc1Br 751108245 OHVXKHSZAVLNKO-SNVBAGLBSA-N 442.107 4.481 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)OCc1nc(C(F)(F)F)cs1 751739708 KJNFMOMOVBKIRN-UHFFFAOYSA-N 425.182 4.119 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)cc1[N+](=O)[O-] 752055844 RPFPTDDOUPGUJE-QGZVFWFLSA-N 425.485 4.129 5 20 IIBD CCOc1cc(NC(=O)NCC2([C@H](O)c3ccccc3)CC2)c([N+](=O)[O-])cc1OCC 752172596 GHXZKRCGLNOOAC-HXUWFJFHSA-N 429.473 4.028 5 20 IIBD COc1ccc([C@@H](O)CNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)cc1 755493432 BINCPXUNKBXJNX-FQEVSTJZSA-N 430.526 4.349 5 20 IIBD CCOc1cc(COC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)ccc1[N+](=O)[O-] 755531417 RKXOGFVJRNLPMW-UHFFFAOYSA-N 429.410 4.382 5 20 IIBD C[C@H](OC(=O)Cc1cccc(F)c1F)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 756493030 OVXDIHVDKQDBHD-NSHDSACASA-N 447.419 4.109 5 20 IIBD O=C(COC(=O)CCc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1C(F)(F)F 756528078 OHRXCTIYLOVJTB-UHFFFAOYSA-N 430.766 4.382 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CN(Cc3ccccc3)C[C@H](O)c3ccsc3)n2)c1 756904147 ABFWMZRVRYKGTC-FQEVSTJZSA-N 436.493 4.442 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)c1F 760342233 IRHZYQNLUXKAJG-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc(Br)c1F 762503325 QGHFMKHIBVNBKS-UHFFFAOYSA-N 431.601 4.189 5 20 IIBD Cc1onc(-c2ccccn2)c1C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 764620488 NHXDPWQKBXKPKD-UHFFFAOYSA-N 444.403 4.425 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(c1ccc(N2CCOCC2)cc1)C(C)C 765034806 UAKBKHWJSCVHBH-HXUWFJFHSA-N 425.529 4.442 5 20 IIBD Cc1cc(CN(CC(C)C)C(=O)c2cc(F)c([N+](=O)[O-])cc2F)nc(N2CCCCC2)n1 765356385 JMFPTQHSXNIGBO-UHFFFAOYSA-N 447.486 4.260 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OC1CCN(C(=O)c2ccccc2F)CC1 765605841 VJWYZJCJRHRLJY-QGZVFWFLSA-N 428.460 4.151 5 20 IIBD CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1NC(=O)c1c([N+](=O)[O-])cnn1C 766873952 VEFJTUSWFLQTQU-ZRGWGRIASA-N 428.489 4.198 5 20 IIBD CC(=O)[C@H](Cc1ccc(F)c(F)c1F)OC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 768643859 PJBBDAPQZLURPH-HWPZZCPQSA-N 445.777 4.176 5 20 IIBD CCNC(=O)c1cc(Cl)ccc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 770547587 XDFJKFZMKYXAKW-UHFFFAOYSA-N 426.654 4.013 5 20 IIBD CN1C(=O)c2cc(Br)ccc2N[C@H]1c1ccc(Br)c([N+](=O)[O-])c1 771098739 UCGMUHJNQHYFBX-CQSZACIVSA-N 441.079 4.316 5 20 IIBD CCOc1cc(COC(=O)c2sc(Br)cc2[N+](=O)[O-])ccc1[N+](=O)[O-] 773605640 YJQKICPHORCXMM-UHFFFAOYSA-N 431.220 4.083 5 20 IIBD C[C@@H](c1nnc(SC[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1-c1ccc(Cl)cc1)N(C)C 776271283 JUOBONJAFDQUCR-SCLBCKFNSA-N 447.948 4.277 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)C[C@@H](C)C(=O)c1ccc(Cl)cc1 777215862 KJPLZTASVKBTAO-OLZOCXBDSA-N 448.859 4.036 5 20 IIBD O=C(Nc1ccccc1)Nc1cccc(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c1 781594632 CXFAFVZCTVGPGO-NRFANRHFSA-N 445.435 4.371 5 20 IIBD CN(C(=O)COC(=O)C(C)(C)CC(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 781751753 XUZGPIPTKDIJQV-UHFFFAOYSA-N 432.860 4.053 5 20 IIBD O=C(NCC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1)OCc1ccccc1 783705696 BWWTVFGXLWKIQG-UHFFFAOYSA-N 446.891 4.419 5 20 IIBD COc1cc(C(=O)Nc2ccc(OCCNC(=O)OC(C)(C)C)cc2)cc([N+](=O)[O-])c1C 790876520 MVGCPRXPXMRFLP-UHFFFAOYSA-N 445.472 4.068 5 20 IIBD COc1ccc([C@H](C)CC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cc1 791165191 AUSNZZICPPSKEV-CYBMUJFWSA-N 433.302 4.444 5 20 IIBD CCOC(=O)/C(=C/c1csc(COc2ccc(OC)cc2)n1)c1ccc([N+](=O)[O-])cn1 794948213 FJVSZOSVNVVTBR-VCHYOVAHSA-N 441.465 4.138 5 20 IIBD C[C@@H]1[C@H](c2ccccc2)CCN1CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O 795434596 DNNDDMWDYCAYPG-CZUORRHYSA-N 430.302 4.149 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2ccc(-c3csc(C)n3)cc2)c([N+](=O)[O-])c1 799518226 GUJAXPXGSDLEHN-UHFFFAOYSA-N 441.465 4.221 5 20 IIBD CCC(CC)n1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(I)c2)n1 801699278 CHZUJRBVTWZNAW-UHFFFAOYSA-N 428.230 4.009 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 801950598 NGNPDLDXGCOSNK-HNNXBMFYSA-N 430.436 4.386 5 20 IIBD O=C(OCc1nc2cc(Br)ccc2o1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 803280892 XAFBKXUVJNWBRG-UHFFFAOYSA-N 443.213 4.041 5 20 IIBD C[C@@H](Cn1ccc2ccccc21)C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 803794081 MWVCERDWJMVNGD-KBPBESRZSA-N 429.860 4.409 5 20 IIBD COc1cccc(C(=O)O[C@H](C)c2ccc(S[C@H]3CCCCNC3=O)cc2)c1[N+](=O)[O-] 809045209 FUNVJTLDYYOKGT-KUHUBIRLSA-N 444.509 4.282 5 20 IIBD O=C(OC/C=C/c1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 809101921 PFIREXIXDNGETH-FAAWYNLUSA-N 439.251 4.356 5 20 IIBD CC[C@H]1[C@@H](c2nc(Cc3ccc([N+](=O)[O-])c(OC)c3)no2)CCN1C(=O)OC(C)(C)C 810303022 STGYXBGBQSOSNS-GJZGRUSLSA-N 432.477 4.080 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)CC(C)(C)O2 811810718 YNWZFZSOUFWNHL-INIZCTEOSA-N 430.461 4.302 5 20 IIBD COCCn1c(N[C@H](C)[C@@H](OC)c2ccccc2Cl)nnc1-c1cccc([N+](=O)[O-])c1 812091155 COKSKRAEPAXTDD-AUUYWEPGSA-N 445.907 4.341 5 20 IIBD O=[N+]([O-])c1c(Cl)cccc1OS(=O)(=O)c1cccc(Cl)c1Br 815056316 MMJBZJBCGHWGNP-UHFFFAOYSA-N 427.059 4.432 5 20 IIBD Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F 815192447 FYCWYHCMYAALNW-UHFFFAOYSA-N 436.390 4.106 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C(=O)Nc1cccc2ncccc12 815510220 OHAQQXRMRWYNNQ-NSHDSACASA-N 433.342 4.346 5 20 IIBD C[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccc(C(F)(F)F)nc1Cl 817866832 NQMOJSONGYZNFG-JTQLQIEISA-N 426.782 4.494 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)Cc1csc(C)n1 903317633 MQLCEAQFXYGKFS-UHFFFAOYSA-N 431.495 4.446 5 20 IIBD O=[N+]([O-])c1c(-c2nc(-c3ccc(OCc4cccnc4)cc3)no2)ccc2c1OCCCO2 904472458 KGPVKFMXEWPDJS-UHFFFAOYSA-N 446.419 4.447 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1cc(C2CC2)[nH]n1 913344986 IKCXAQDUZZRQCQ-IBGZPJMESA-N 440.843 4.386 5 20 IIBD Cc1ccc(C(C)(C)C)cc1S(=O)(=O)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 915822415 JVLZAVMQIAYRSA-CQSZACIVSA-N 436.555 4.186 5 20 IIBD O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 918537897 ZQMSXRJPQZXTQY-QGZVFWFLSA-N 449.438 4.305 5 20 IIBD O=C(OCC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])s1 918826063 JGADDUATEJVXGW-IBGZPJMESA-N 428.491 4.049 5 20 IIBD CCc1c(C(=O)O[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)cnn1C 919176359 YETYKDDNJYJCSC-IBGZPJMESA-N 442.859 4.081 5 20 IIBD Cc1cccc(NC(=O)N2CCC[C@H](C(=O)OCCCOc3ccc([N+](=O)[O-])cc3)C2)c1 919579978 WXAOKFXXPCZCKP-SFHVURJKSA-N 441.484 4.159 5 20 IIBD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(-c3c(C)cc(C)c([N+](=O)[O-])c3C)o2)c1 1257719729 ZYAHBCASJYDOMG-UHFFFAOYSA-N 444.513 4.268 5 20 IIBD COc1cc(CNc2ccc3c(c2)CN(C(C)=O)C3)c([N+](=O)[O-])cc1OCC(F)(F)F 1319431717 ZWABPGHEDNAAIM-UHFFFAOYSA-N 439.390 4.019 5 20 IIBD CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)c1nnc(COc2ccccc2[N+](=O)[O-])o1 1322187922 XIRKSAHUCHKICN-MRXNPFEDSA-N 440.456 4.365 5 20 IIBD CCOC(=O)c1cc(-c2nnc([C@H](C)Oc3ccc(OCC)cc3)o2)cc([N+](=O)[O-])c1 1322651167 ISEJAVOWCQMKGL-ZDUSSCGKSA-N 427.413 4.360 5 20 IIBD COc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)c2ccc(OC)cc2OC)cc1 1338823238 XFMBZAMKWDMRRA-HXUWFJFHSA-N 428.466 4.202 5 20 IIBD Cc1cccc(/C=C/C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CCC2)n1 1785747420 OCDOKAGDSHYICL-ZRDIBKRKSA-N 446.463 4.352 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H]1C1CC1)c1cc2cc([N+](=O)[O-])ccc2s1 1792963518 DWXPRZNMCCVTOE-JZFYCYHFSA-N 439.537 4.107 5 20 IIBD CCCCC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1cccc([N+](=O)[O-])c1 1793943746 JSBQHUYGOCKDNU-WJMWBRGCSA-N 429.561 4.382 5 20 IIBD CC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C3)CCCCC1 1802213291 OTFIUFADVOBTMB-ACDBMABISA-N 427.545 4.136 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)[nH]n1)c1ccc2ccoc2c1 1821456596 DWHITBUPDAWSTP-KRWDZBQOSA-N 448.439 4.012 5 20 IIBD O=C(c1ccccc1)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1824276296 PMIMXWDDJKYGDJ-FKVRIVCVSA-N 437.496 4.135 5 20 IIBD O=C(Nc1ccc(F)c([N+](=O)[O-])c1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 10125154 CMXJAEOUAZRUJW-UHFFFAOYSA-N 439.365 4.244 5 20 IIBD Cn1ccnc1Sc1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 10424322 DMCKFNIWPUARLJ-UHFFFAOYSA-N 437.525 4.335 5 20 IIBD C[C@H](OC(=O)COc1ccccc1-c1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 10593842 VWFIMLVQDFJQRU-HNNXBMFYSA-N 438.411 4.350 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 15410923 QSJNADYACUOGBI-CALCHBBNSA-N 425.485 4.324 5 20 IIBD O=C1NC(=O)c2ccccc2/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 15662011 NUZXMLIVYPNVIN-YBEGLDIGSA-N 439.221 4.428 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1cccc(Br)c1 16014835 RIEBNRQUNPQOGH-UHFFFAOYSA-N 445.273 4.458 5 20 IIBD CCCCc1ccc(-n2nnnc2SCCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 26364268 PYMBQMNLSAQNES-UHFFFAOYSA-N 440.529 4.342 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCC(=O)Nc2c(C)cccc2C)cc1 32991837 HKYQUEUZSFFUIT-UHFFFAOYSA-N 449.463 4.381 5 20 IIBD O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)Nc1ccc(Oc2ccccc2)cc1 60826461 PHWGFZOEICUGCC-UHFFFAOYSA-N 442.431 4.250 5 20 IIBD CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 62402193 OQKMHXIEHYDDAL-UHFFFAOYSA-N 444.385 4.070 5 20 IIBD CCOc1ccccc1CNc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 64915340 FISFRQRBQFPNIE-UHFFFAOYSA-N 427.482 4.406 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(COCCc2ccccc2)c1 65126617 SLTSKSUYPIMGBE-SFHVURJKSA-N 447.491 4.111 5 20 IIBD C[C@H](NC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O)c1cccc([N+](=O)[O-])c1 108291979 KFWYFBFKYAUNRQ-HNNXBMFYSA-N 431.448 4.002 5 20 IIBD COc1cccc([C@@H](C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 195602743 KAQHKLLYLFRGJA-CQSZACIVSA-N 437.418 4.075 5 20 IIBD O=C([C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1CCC[C@H](c2ccccc2)CC1 303516977 PMBKDLZFJNHHIY-ROUUACIJSA-N 427.526 4.057 5 20 IIBD CN(Cc1nccn1CC(F)(F)F)C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 426462271 QTFJLZVFUGPKRU-UHFFFAOYSA-N 448.401 4.205 5 20 IIBD COc1ccc(CN[C@H](C(=O)O)c2ccccc2F)cc1OCc1ccc([N+](=O)[O-])cc1 426768979 DXLZKVONJAHEHA-QFIPXVFZSA-N 440.427 4.237 5 20 IIBD CCOC(=O)c1c(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])sc(C)c1C 429943646 GAQLCHGJAJOIDN-UHFFFAOYSA-N 427.276 4.465 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2c(-c3ccncc3)nc3ccccn23)cc1SC 430663970 NJBMKCSYSQQILA-UHFFFAOYSA-N 435.465 4.287 5 20 IIBD O=[N+]([O-])c1ccc(OC(F)F)c(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1 435480404 PGOKJQHZVZAWHS-UHFFFAOYSA-N 431.175 4.443 5 20 IIBD COc1cccc(C(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c1[N+](=O)[O-] 435570375 WTPFMWACSWRAHN-IBGZPJMESA-N 434.427 4.264 5 20 IIBD COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1cc([N+](=O)[O-])ccc1O)CC2 436671596 ASZROZBVDVXRQW-OAQYLSRUSA-N 440.477 4.167 5 20 IIBD C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H](OC1CCOCC1)c1ccccc1 437825846 VBRZEJBBBBUFFX-VGSWGCGISA-N 426.513 4.314 5 20 IIBD COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 437886548 CVAIMSPVGUPVLI-INIZCTEOSA-N 442.516 4.410 5 20 IIBD Cc1cccc(C(NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)c2cccc(C)c2)c1 437947926 AGCGFQFOSGJUHT-UHFFFAOYSA-N 431.448 4.025 5 20 IIBD O=C(Nc1cc(Cl)c(Cl)cc1F)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 439860313 VSAPGRSNXRMQMJ-UHFFFAOYSA-N 426.231 4.170 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 441078612 IZUCJFDNGQKPCY-GFCCVEGCSA-N 428.436 4.197 5 20 IIBD CCN([C@@H](c1ccc(Cl)cc1)c1ccccn1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 442952866 UOWMLLYSJSOACA-FQEVSTJZSA-N 431.901 4.443 5 20 IIBD Cc1ccccc1OCCCC(=O)Nc1ccc(CNc2ncc([N+](=O)[O-])s2)cc1 443509853 OPXNFYSUOLSKFY-UHFFFAOYSA-N 426.498 4.770 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCC[C@@H](N2CCCC2)CC1 444099037 ZQLYXGAPXSKPNQ-QGZVFWFLSA-N 425.479 4.050 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(Nc3ncccn3)cc2)cc1[N+](=O)[O-] 444416301 BACRONFHQCCQPG-UHFFFAOYSA-N 425.470 4.009 5 20 IIBD COc1ccc(NC(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)cc1[N+](=O)[O-] 444929531 KDNPPKQETNHZDN-DOTOQJQBSA-N 426.256 4.032 5 20 IIBD CCCc1c(NC(=O)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cnn1-c1cccc(C)c1 446668031 QYPVCYHEPMHGII-KRWDZBQOSA-N 449.511 4.166 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N[C@@H](c1ccccc1F)C1CCCC1 446888816 NQHIPGWMOXWTLF-HXUWFJFHSA-N 433.867 4.165 5 20 IIBD Cc1csc(CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(F)c(F)c2)n1 447348208 QRWKTKGBLKFNLT-UHFFFAOYSA-N 425.438 4.033 5 20 IIBD C[C@@H](Nc1cc(CN2CCOCC2)ccc1[N+](=O)[O-])c1ccc(Br)s1 447816099 ITMBWAMDEHTBLO-GFCCVEGCSA-N 426.336 4.424 5 20 IIBD Cc1nc(-c2ccc(Br)cc2)c(NC(=O)Cc2cccc([N+](=O)[O-])c2)n1C 460205562 JLQCJBZDDGZNSL-UHFFFAOYSA-N 429.274 4.247 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(Cc3nc(-c4ccccc4I)no3)c2c1 460735945 IXRBPYNZEDMBLZ-UHFFFAOYSA-N 446.204 4.322 5 20 IIBD CCN(C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H](c1ccc(C)cc1)c1cccnc1 465133794 UZUCWFDZFVMXLS-RUZDIDTESA-N 447.491 4.250 5 20 IIBD CC(C)c1ccccc1OCCNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465885755 IKFFDJWOVHFTTL-UHFFFAOYSA-N 427.501 4.350 5 20 IIBD CC(C)[C@@H](CCO)NC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 465972759 LWVUZYAVVVJOCI-QGZVFWFLSA-N 439.871 4.386 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(NCc2coc(-c3ccc(C)cc3)n2)c([N+](=O)[O-])c1 467014237 NLFQBQSZOYHKFW-UHFFFAOYSA-N 444.513 4.201 5 20 IIBD CC[C@H](Cc1ccccc1Br)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 467583916 LUSWWAMTFMYMDJ-ZBFHGGJFSA-N 447.333 4.034 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NC[C@@H]2N(C)CCCC2(C)C)cc1[N+](=O)[O-])c1ccccn1 468464596 CBQNCNUUNPKXME-IERDGZPVSA-N 425.533 4.013 5 20 IIBD Cc1c(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cccc1NC(=O)N(C)C 471650486 YBOPBRKVQHHZCP-UHFFFAOYSA-N 427.280 4.073 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC[C@@](O)(C(F)(F)F)C3)cc2[N+](=O)[O-])n1 474861349 POWGRXQDKNHIDN-INIZCTEOSA-N 447.460 4.040 5 20 IIBD CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@@H]1C[C@H](F)CN1Cc1nccs1 475089498 PXTXLZYWSGLHSY-YJBOKZPZSA-N 447.561 4.219 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N(CCc1ccccc1)[C@H]1CCOC1 475650130 QIGIOJPRJNJGHR-NRFANRHFSA-N 426.516 4.015 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@H](NC(=O)CCCc2ccccc2)C1 477157500 ASYUUJHZLOIHHJ-FQEVSTJZSA-N 438.528 4.347 5 20 IIBD O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC=C(c2ccccc2C(F)(F)F)CC1 478913598 DDEGDBKULUGATM-UHFFFAOYSA-N 434.370 4.314 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc4c(c3)CN(C)C(=O)N4)cc2[N+](=O)[O-])C1 478985655 GXYQDMRKNBMJRA-GASCZTMLSA-N 437.500 4.307 5 20 IIBD CCc1cc(N2CC[C@@H](CN(CC)CC(F)(F)F)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 479451386 GHUUEKMVSXXZRT-HNNXBMFYSA-N 437.466 4.325 5 20 IIBD CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 479760963 ZHLWNUGKBSVBLV-ZUOKHONESA-N 428.876 4.155 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]1c1nc2ccccc2n1C(C)C 481438145 QEZOMYVTPDYNFE-SFHVURJKSA-N 444.513 4.060 5 20 IIBD C[C@@H]1C[C@H](NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C(=O)N1c1ccccc1 485736970 JXSNQPPVNJVDCZ-VGSWGCGISA-N 445.475 4.098 5 20 IIBD O=C(NCc1nc(-c2ccccc2)no1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 485897730 KDZXHLKWWBUWQN-UHFFFAOYSA-N 430.420 4.154 5 20 IIBD CC(C)NC(=O)c1ccc(NCCCNc2ccc(C(F)(F)F)cn2)c([N+](=O)[O-])c1 486160875 VYDYUAGRQYSBQG-UHFFFAOYSA-N 425.411 4.061 5 20 IIBD CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1cc(OCC)c(OC)cc1[N+](=O)[O-] 486537941 MWCPXAAXJBFHJC-UHFFFAOYSA-N 449.891 4.146 5 20 IIBD CCOC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)c1cccc(SC)c1[N+](=O)[O-] 486577637 UDJVBSPPXMXGHU-IBGZPJMESA-N 438.505 4.374 5 20 IIBD CCc1c(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cnn1-c1ccc(OC)cc1 486691636 RRPXLWAXLAITKF-UHFFFAOYSA-N 448.401 4.300 5 20 IIBD O=C(COc1ccc(Br)cc1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 486741861 XJGMUMBHRMWIBS-UHFFFAOYSA-N 433.180 4.071 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](c2nc3c(s2)CCCC3)C1 490068437 RVBAXMBXNYIOFV-MRXNPFEDSA-N 428.558 4.447 5 20 IIBD CC(C)CCSc1ccc(C(=O)NCCCc2nnc3n2CCCC3)cc1[N+](=O)[O-] 497683680 RGCVEFXCVNXJEQ-UHFFFAOYSA-N 431.562 4.023 5 20 IIBD CCCCCC(=O)NC1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 498466158 NPIOABZPVUSSTA-UHFFFAOYSA-N 430.530 4.019 5 20 IIBD O=C(Nc1cc(Cl)ccc1N1CCSCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 499479418 BUHNNNGPZFXYOD-UHFFFAOYSA-N 443.916 4.239 5 20 IIBD Cc1ccc(-c2csc(NC(=O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)n2)s1 500236965 PKKZVKRYGSTAEM-UHFFFAOYSA-N 442.522 4.218 5 20 IIBD O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 502123790 OZACFSQIIZIKQL-UHFFFAOYSA-N 444.337 4.035 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)cc1SC 502276916 APRKHFAQAAKMKX-ZDUSSCGKSA-N 436.461 4.275 5 20 IIBD CC(C)CCSc1ccc(C(=O)Nc2cccc(CN3CCOCC3)n2)cc1[N+](=O)[O-] 503973057 OGVPBCPDCGJIRY-UHFFFAOYSA-N 444.557 4.213 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 504775068 JPOWJZBIPYTFCP-UHFFFAOYSA-N 442.475 4.202 5 20 IIBD CCOC(=O)C1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 505872587 PDVBPJMEQFCHLO-UHFFFAOYSA-N 434.496 4.223 5 20 IIBD CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2I)c(C)c1 508967502 IGJDVTKMBUFNPT-UHFFFAOYSA-N 426.210 4.159 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Br)c3cccnc23)c(Cl)c1 509397176 QYUAKFQLYZLIBG-UHFFFAOYSA-N 442.678 4.360 5 20 IIBD COCCc1nc2cc(NC(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)ccc2o1 510074157 UHCGTJHZXOYBDD-UHFFFAOYSA-N 434.246 4.248 5 20 IIBD CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc1 512023920 LTWZIUSDSLRZJD-UHFFFAOYSA-N 433.530 4.275 5 20 IIBD Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 513493711 CFOZHXQNJGHHAW-QGZVFWFLSA-N 444.534 4.082 5 20 IIBD COc1ccc(OC)c(CNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])c1 514693672 HQOSXAHNZBQLAD-UHFFFAOYSA-N 443.481 4.025 5 20 IIBD COc1ccc(NC(=O)c2ccc(Cl)c(I)c2)c([N+](=O)[O-])c1 515086411 UANAIURQZJMNFM-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](c1ccc(F)cc1)c1ccccc1Cl 516045290 XHOIASHREYQLSV-LJQANCHMSA-N 427.819 4.232 5 20 IIBD O=C(NCCC(c1ccccc1)c1ccccc1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 517553403 XWPKXEICJDLAAN-UHFFFAOYSA-N 427.464 4.128 5 20 IIBD CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 518698111 XZTZNVLYAKXFFW-AWEZNQCLSA-N 445.324 4.056 5 20 IIBD O=C(NCCCCc1nc(-c2cccnc2)cs1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 521456790 PYMIDGSAJGFQKQ-UHFFFAOYSA-N 448.508 4.052 5 20 IIBD Cn1ccnc1[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 523877204 MUYBUIDOZZBPJQ-IBGZPJMESA-N 449.294 4.310 5 20 IIBD Cc1ccccc1NC(=O)[C@@H]1CCc2ccccc2N1C(=O)COc1ccc([N+](=O)[O-])cc1 524164123 NGKIXPQIHCWMGV-QHCPKHFHSA-N 445.475 4.269 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NC[C@H](O)C1CCCCC1 524349649 YLFGXZAMGOATJT-QHCPKHFHSA-N 448.523 4.047 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 531260676 MNLYIVXSGZCDCB-UHFFFAOYSA-N 429.432 4.260 5 20 IIBD CCC[C@@H]1CN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 535497999 BZJOAWYFNCFFBT-JOCHJYFZSA-N 434.496 4.018 5 20 IIBD CNC(=O)c1ccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c(Cl)c1 536498843 ZYDLZOMKXFCYLY-OKILXGFUSA-N 444.919 4.342 5 20 IIBD CCOc1cc(CN2CCCC[C@H](SC)C2)ccc1OCCn1c([N+](=O)[O-])cnc1C 537693524 VZIBDFROZCJJPN-IBGZPJMESA-N 448.589 4.295 5 20 IIBD CCC[C@@H](NC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1)c1cccc([N+](=O)[O-])c1 539072519 KNJPRZAUZJAHRG-OAQYLSRUSA-N 441.528 4.348 5 20 IIBD COc1ccc(C[C@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])c2ccccc2)cc1OC 539260798 IGNVWUWMLJRILA-FQEVSTJZSA-N 435.480 4.124 5 20 IIBD Cc1cc(NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] 539652548 HFJAJYLJVNYMAS-LPHOPBHVSA-N 435.402 4.470 5 20 IIBD CN(C(=O)CCc1nc(C2CCCC2)no1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 540447555 KZJDIHALSSVIKH-UHFFFAOYSA-N 427.486 4.355 5 20 IIBD CC(C)c1nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)cc2s1 540710221 MCAJLBRKCNOVOQ-UHFFFAOYSA-N 426.498 4.417 5 20 IIBD O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(c2nc3cc(Cl)ccc3o2)CC1 541282850 RPCPJXALSWAMJL-INIZCTEOSA-N 431.876 4.009 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 542042769 OPDBVBUIJBHDFQ-NSHDSACASA-N 436.312 4.306 5 20 IIBD COc1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1OCc1cccnc1 542541881 ANFYPIBDINGVTI-CQSZACIVSA-N 425.416 4.459 5 20 IIBD Cc1cc(-c2nc(C3CC3)no2)ccc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 543162549 GUPPTSXWPPBXIW-UHFFFAOYSA-N 434.861 4.285 5 20 IIBD Cc1ccc(-c2noc([C@H](C)NCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1F 543546952 YOQVIUFCAHDZOT-NSHDSACASA-N 433.827 4.035 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)NCc1ccc(COCc2ccccc2)cc1 544151033 YIAYEULIZWCSDB-UHFFFAOYSA-N 435.480 4.320 5 20 IIBD C[C@H](C(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1ccc([N+](=O)[O-])cc1F 544444977 HLYZSKSKSVBSNC-QWHCGFSZSA-N 441.381 4.131 5 20 IIBD CCOc1ccc(-n2c(Sc3ncc([N+](=O)[O-])cn3)nnc2-c2ccc(F)cc2)cc1 546887382 SAGGOJNYHVDIAA-UHFFFAOYSA-N 438.444 4.322 5 20 IIBD O=C(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 554425630 JYOVMMHENHMJLJ-LJQANCHMSA-N 431.408 4.022 5 20 IIBD Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 560614719 GMPGQBSBHAIWSZ-UHFFFAOYSA-N 432.223 4.994 5 20 IIBD COC(=O)c1cc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c(C)cc1Br 560805753 NZNAWRYRNHSAGX-UHFFFAOYSA-N 439.287 4.183 5 20 IIBD O=C(Nc1ncc(Cc2cc(F)cc(F)c2)s1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 602229678 GUHIAGPEGNHWRQ-UHFFFAOYSA-N 441.419 4.358 5 20 IIBD CCN(CCO)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2 603549519 PTLILJKFPBLWDP-VLGSPTGOSA-N 431.492 4.474 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCN(c2nc3ccccc3o2)CC1 603638455 OLXXJWOOQQUJQC-UHFFFAOYSA-N 432.383 4.193 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3ncc(Br)s3)cc2[N+](=O)[O-])CC1 604455782 RKJDEJVOHPPEDK-UHFFFAOYSA-N 425.308 4.302 5 20 IIBD COc1cc(C(=O)N2CCc3[nH]c4c(Br)cccc4c3C2)ccc1[N+](=O)[O-] 604573194 PYBIKRVSLDGGMD-UHFFFAOYSA-N 430.258 4.046 5 20 IIBD COc1ccc(CNC(=O)C[C@@H](NC(=O)c2ccc(C)cc2)c2ccccc2)cc1[N+](=O)[O-] 609228130 DJMPEFGJSJLVLA-OAQYLSRUSA-N 447.491 4.089 5 20 IIBD COC(=O)C1CCC(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 609302808 NNMHFRKQIAJWKO-UHFFFAOYSA-N 445.903 4.322 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C)c1ccc(F)c(Br)c1 609391357 ZNERPFORQCEOBW-SNVBAGLBSA-N 426.242 4.065 5 20 IIBD Cc1nc(-c2ccc(NS(=O)(=O)c3cc(Br)cc([N+](=O)[O-])c3)cc2)co1 609411033 LISADZRBYQUKJG-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD O=C(CCN1CCCCC1)Nc1cccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1 609430000 XPSLTCQGBLQZKH-UHFFFAOYSA-N 435.484 4.143 5 20 IIBD C[S@](=O)CCCNC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 609525398 UVFMGOHMTLNXPH-LJAQVGFWSA-N 446.472 4.263 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 609541864 CLPCBFUKPNZAFJ-UHFFFAOYSA-N 432.420 4.234 5 20 IIBD COc1ccc(OC2CCN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 609723623 NNGMCGKADAOFKY-UHFFFAOYSA-N 434.876 4.096 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CC[C@H](Cc2ccc(F)cc2)C1 609909216 UVJKJPDAGJPCCE-CQSZACIVSA-N 426.366 4.380 5 20 IIBD COc1ccc(N(Cc2ccco2)S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1F 610058812 RXHMSCIQAXIIAX-UHFFFAOYSA-N 434.445 4.348 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 611514206 SPBHTQXAZVCAOZ-GHMZBOCLSA-N 433.736 4.173 5 20 IIBD O=C(c1cc2ccccc2c2cccnc12)N1CCN(Cc2nc(-c3ccccc3)no2)CC1 613557516 XGJLLFCWINIGJC-UHFFFAOYSA-N 449.514 4.396 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1 619637799 JDDFJAIKSXFFKI-UHFFFAOYSA-N 437.456 4.455 5 20 IIBD O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCN(c2nccs2)CC1 619668061 QZECGBXNZOGFET-UHFFFAOYSA-N 426.523 4.165 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OCCOc2ccc3ccccc3c2)ccc1[N+](=O)[O-] 726673547 CPUYLDDWQRWNBA-HSZRJFAPSA-N 448.475 4.283 5 20 IIBD O=C(OCc1ccccc1[N+](=O)[O-])c1cnn(-c2ncccc2Cl)c1C(F)(F)F 730650991 CWNGUCAVEBCRTQ-UHFFFAOYSA-N 426.738 4.205 5 20 IIBD CN(C(=O)CCCCCc1cccs1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 731546720 QXDDQLSCWQHXBK-UHFFFAOYSA-N 430.935 4.260 5 20 IIBD CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc([N+](=O)[O-])ccc1Cl 734975034 KRDHQGWDYNLTNM-FQEVSTJZSA-N 443.887 4.156 5 20 IIBD O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCCCN1C(=O)c1cccs1 735445617 OIKHCRZXMWEAON-KRWDZBQOSA-N 441.465 4.049 5 20 IIBD O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccccc1SC[C@H](O)c1ccccc1 736538574 XNRQOTRKCAJPBZ-SFHVURJKSA-N 430.507 4.221 5 20 IIBD Cc1ccc(NCCCNC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)c([N+](=O)[O-])c1 739653776 GULIGJODGCKRQH-UHFFFAOYSA-N 428.489 4.482 5 20 IIBD CC(C)(C(=O)OCC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc([N+](=O)[O-])cc1 740391468 LFYNABIOEPQGRA-UHFFFAOYSA-N 440.452 4.096 5 20 IIBD CSc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 740421180 CZVAZSONXVRYGA-JTQLQIEISA-N 439.287 4.263 5 20 IIBD O=C(Nc1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2)c(O)c1)c1cc(F)cc(F)c1 741009733 PIZFVFDDXINGPS-UHFFFAOYSA-N 428.347 4.188 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 741935065 SYFYWSNQXNXPGK-KRWDZBQOSA-N 446.847 4.017 5 20 IIBD Cc1ccc([C@H]2OCCC[C@@H]2CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])cc1 742431497 ZJRWTEKMCUZJBX-DNVCBOLYSA-N 440.468 4.479 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cc1 742889804 NECQIZWSJHDOTE-CQSZACIVSA-N 428.489 4.499 5 20 IIBD CC(C)CO[C@@H](C)c1noc(COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)n1 744553749 HDCRGUHPCUULAQ-HNNXBMFYSA-N 432.477 4.059 5 20 IIBD CCOc1ccc(-c2noc(CCC(=O)OCc3cc(Cl)ccc3[N+](=O)[O-])n2)cc1 746066892 JGJAODAFMHELJY-UHFFFAOYSA-N 431.832 4.373 5 20 IIBD O=C(COC(=O)Cc1coc2cc(F)ccc12)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 748229267 NNJUWEZGOCSNJT-UHFFFAOYSA-N 440.305 4.223 5 20 IIBD Cc1oc(-c2cnn(C)c2)nc1C(=O)OCc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1 752219616 WPYFVDCWCCQMCA-UHFFFAOYSA-N 434.408 4.441 5 20 IIBD CCC[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CCN1CCc1ccc([N+](=O)[O-])cc1 753904764 LXFRFSFUIZLCCE-HSZRJFAPSA-N 426.517 4.075 5 20 IIBD Cc1noc(C)c1[C@H](C)CC(=O)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C 754262974 WHPMOGXUFRXYSW-CYBMUJFWSA-N 427.461 4.180 5 20 IIBD C[C@H](C(=O)OCC(=O)N(C)[C@H](C)c1cc2ccccc2o1)c1ccc([N+](=O)[O-])cc1F 755069100 QCJFEXVWTUNDHJ-UONOGXRCSA-N 428.416 4.346 5 20 IIBD CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COC(=O)CCc1cccc([N+](=O)[O-])c1 756530030 XDSGEIPFIZJGOT-UHFFFAOYSA-N 425.268 4.036 5 20 IIBD C[C@@H](OC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 756751003 BVEBHUHBSSDDAB-ANRSDYALSA-N 447.658 4.159 5 20 IIBD O=C(Cc1ccn(-c2ccccc2)n1)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 756907440 PICSUJZDVMSKQT-UHFFFAOYSA-N 442.431 4.181 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])N(Cc1ccccc1)C[C@H](O)c1ccsc1 757219433 BKMOAOMZMQSQEW-NRFANRHFSA-N 425.510 4.144 5 20 IIBD C[C@@H](OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)N[C@H](C)c1ccc(Cl)cc1 758737423 RFQHDYHYSNGBPU-CHWSQXEVSA-N 429.860 4.081 5 20 IIBD O=C(CCn1ccc2cc(Cl)ccc21)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 758869155 BHQZHNYEEFVQHE-UHFFFAOYSA-N 426.816 4.386 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl 759774614 UZYHYMHCUZUZTQ-SFHVURJKSA-N 433.940 4.493 5 20 IIBD Cc1sc2ncnc(SCC(=O)O[C@@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)c2c1C 759937341 WUNFUXMENQEEEE-ZIAGYGMSSA-N 447.542 4.232 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCC[C@@H]1c1ccc(C(C)C)cc1 760023365 TUCMNTDTOQIYAX-LJQANCHMSA-N 426.469 4.282 5 20 IIBD C[C@@H](OC(=O)CCc1cncc2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 765566022 CLHXLYKUEMETQA-CYBMUJFWSA-N 427.844 4.299 5 20 IIBD COC(=O)N1CCC(NC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CC1 767250878 PIMSKJGLUPPEJP-UHFFFAOYSA-N 449.916 4.360 5 20 IIBD Cc1ccc(N(Cc2cc(C)n(C)n2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 767823091 BDPGFFCJCYINNU-UHFFFAOYSA-N 448.932 4.302 5 20 IIBD C[C@H](OC(=O)c1ccc(OC(F)(F)F)c(N)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 770515859 GCAIWQBHBTZXLH-VIFPVBQESA-N 438.318 4.044 5 20 IIBD Cc1ccc([C@](O)(Cc2noc(C(C)(C)c3ccc([N+](=O)[O-])cc3)n2)C(F)(F)F)o1 770898341 DXBJIQWIGHMSPD-GOSISDBHSA-N 425.363 4.198 5 20 IIBD Nc1ncc(Cc2cccc(C(=O)OCc3ccc(Br)c([N+](=O)[O-])c3)c2)s1 773460716 HGBNHEGEHNYMKC-UHFFFAOYSA-N 448.298 4.344 5 20 IIBD CN(C)C1CCN(c2ccc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])cc2)CC1 775504292 AGKZMVZNKIPAPN-UHFFFAOYSA-N 447.333 4.140 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(CNC(=O)OC(C)(C)C)cc2)cc([N+](=O)[O-])c1 777832541 PVDTTZUFCZXUAX-UHFFFAOYSA-N 443.456 4.049 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)c(F)c1 777885585 XDTSBHDNRRFZAC-CQSZACIVSA-N 445.852 4.103 5 20 IIBD Cc1noc(-c2cc(Cl)ccc2OS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 778081519 VQUMDOJJRHJKGO-UHFFFAOYSA-N 430.225 4.028 5 20 IIBD COc1cc(CNc2ccc(N3CCOC[C@@H]3C)cc2)c([N+](=O)[O-])cc1OCC(F)F 779048842 YXHYNYXYLVYJGQ-AWEZNQCLSA-N 437.443 4.085 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 782426532 MOWMZKIAIGLDPJ-UHFFFAOYSA-N 428.279 4.001 5 20 IIBD O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1CC[C@H](c2cccc(C(F)(F)F)c2)C1 784024671 BKOPAKSTJSMSAC-KRWDZBQOSA-N 444.413 4.284 5 20 IIBD Cc1cc(C(=O)COC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c(C)n1CC(F)(F)F 785949315 FDZRZWMURIRGPO-UHFFFAOYSA-N 432.782 4.197 5 20 IIBD COc1ncccc1COC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 787970313 DVEMBXPBSSBOPX-UHFFFAOYSA-N 438.461 4.308 5 20 IIBD Cc1cnc(COC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)c(C)c1[N+](=O)[O-] 789444071 HISSXEZZPCXARY-UHFFFAOYSA-N 434.861 4.146 5 20 IIBD Cc1cnc(COC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c(C)c1[N+](=O)[O-] 789444203 TTXXEGZGMRHROV-HXUWFJFHSA-N 433.464 4.211 5 20 IIBD CCOC(=O)c1c(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])sc(C(C)=O)c1C 790806599 VXWRSRHLIGKRRV-UHFFFAOYSA-N 442.852 4.318 5 20 IIBD CCn1ncc2c(C(=O)OCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc(-c3ccccc3)nc21 791662355 UUSRTCDIHTZRBG-UHFFFAOYSA-N 447.407 4.292 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)Nc1cc(F)ccc1F 792476441 WDTBOAVIRSYVLF-SECBINFHSA-N 443.200 4.128 5 20 IIBD Cc1c(NC(=O)CCN(Cc2ccccc2)C[C@H](O)c2ccccc2)cccc1[N+](=O)[O-] 796363935 QXKDTEGOUIKCGW-DEOSSOPVSA-N 433.508 4.468 5 20 IIBD O=C(Nc1c(Cl)ccc2c1CCO2)c1cc([N+](=O)[O-])ccc1I 797334415 ZGZGFGWOUWUORQ-UHFFFAOYSA-N 444.612 4.040 5 20 IIBD COc1ccc(CN2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] 800486317 FQUOIPFXQBQVIB-RBUKOAKNSA-N 427.501 4.096 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)O[C@H](C)C(=O)N(c2nccs2)C2CCCCC2)c1F 803461245 WYPDEYUPGQNMNN-CYBMUJFWSA-N 435.477 4.410 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccc3oc(O)nc3c2)c2ccccc2)c([N+](=O)[O-])c1 805656002 QYCWFUBEXKSTSO-FQEVSTJZSA-N 447.403 4.287 5 20 IIBD COc1c(C(=O)O[C@H](C)c2ccc(S[C@@H]3CCCCNC3=O)cc2)cccc1[N+](=O)[O-] 809049659 ZSYLGMHNSJNZNU-AUUYWEPGSA-N 444.509 4.282 5 20 IIBD CS(=O)(=O)c1cc(C(=O)OC/C=C/c2cc(Cl)cc(Cl)c2)cc([N+](=O)[O-])c1 809102138 XHOZAVDHMHHJJG-NSCUHMNNSA-N 430.265 4.175 5 20 IIBD COc1ccccc1[C@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 809814651 VVYYXJLCTMOWCK-CQSZACIVSA-N 431.297 4.436 5 20 IIBD O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@H](O)c1cc(Cl)c2c(c1)OCCO2 811480985 LOWCEQNUHBXTSX-AWEZNQCLSA-N 433.675 4.149 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1nnn(-c2ccccc2F)c1C(F)(F)F 813242558 SGOYWPALMILPED-UHFFFAOYSA-N 429.717 4.239 5 20 IIBD O=C(Nc1ccc(OS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])cc1)c1ccco1 814976878 NWTBDDLWFMAXIB-UHFFFAOYSA-N 440.792 4.000 5 20 IIBD O=C(O[C@@H]1CCN(c2ccccc2Cl)C1=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 815510504 ZHQNLRKFAPXYNG-OAHLLOKOSA-N 428.750 4.229 5 20 IIBD C[C@@H](c1ccc(F)cc1)N1CCC[C@H](OC(=O)CSc2ccc([N+](=O)[O-])cc2)C1=O 816404832 CRWMAVISIRIUAN-LIRRHRJNSA-N 432.473 4.121 5 20 IIBD C[C@H](Cc1noc(-c2cc3ccccc3c([N+](=O)[O-])c2N)n1)N(C)C(=O)OC(C)(C)C 904662998 OKAQRZCLSFSODA-GFCCVEGCSA-N 427.461 4.178 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)[C@H]1CCCN(C(=O)Nc2cccc(C)c2)C1 918538193 NDYTUIFVOOQRKJ-KRWDZBQOSA-N 441.484 4.289 5 20 IIBD C[C@@H](OC(=O)[C@H]1CCN(c2ccccc2Br)C1=O)c1ccccc1[N+](=O)[O-] 920268064 MRHUOFZQUAKZKL-OCCSQVGLSA-N 433.258 4.015 5 20 IIBD O=C(COC(=O)c1cnn(C2CCCCC2)c1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1116042068 ROAPXHALYUMHNU-UHFFFAOYSA-N 440.378 4.111 5 20 IIBD O=C(Cc1coc(-c2ccccc2)n1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 1117158873 BDPAAVKPKDXIKS-UHFFFAOYSA-N 442.269 4.140 5 20 IIBD Cc1csc(CCCNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])n1 1318188786 XDLSSVIEEUNFAX-UHFFFAOYSA-N 432.527 4.205 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1SC 1318270081 IOOWUIAIZLEBDR-CYBMUJFWSA-N 426.498 4.221 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] 1319648098 JWUYWQWHDNZISU-ORAYPTAESA-N 433.867 4.178 5 20 IIBD O=[N+]([O-])c1c(Cl)cccc1-c1nnc(CN2CCN(Cc3ccccc3Cl)CC2)o1 1323039338 PPXSHYIENVTHLL-UHFFFAOYSA-N 448.310 4.269 5 20 IIBD COc1ccc(NC(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)c([N+](=O)[O-])c1 1520292755 CBSFLIIXGASANN-UHFFFAOYSA-N 431.452 4.323 5 20 IIBD Cc1ccc(O)c(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])o4)CCC3)cc2)c1 1790246270 RWXVQYMBGBTHID-UHFFFAOYSA-N 435.436 4.263 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)Nc1ccc(C2(NC(=O)c3cccnc3)CCC2)cc1 1790806637 RISKOFHGUKHCQL-UHFFFAOYSA-N 446.463 4.065 5 20 IIBD C/C=C(\C)C(=O)Nc1ccc(C2(NC(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])CCC2)cc1 1791221164 YRVSUFWSSTZOQO-LNKIKWGQSA-N 439.468 4.023 5 20 IIBD C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C2)c1cccs1 1802846615 RGKSSLJIRRTHLB-KANFNMMFSA-N 441.553 4.031 5 20 IIBD Cc1cscc1C(=O)N1CCC2(CCCN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)C2)CC1 1805681856 TZLXSJPYYWIIIZ-HWKANZROSA-N 443.525 4.116 5 20 IIBD CCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3cc([N+](=O)[O-])ccc3s1)CC2 1812594946 JZAFOCZKXISWAT-LBPRGKRZSA-N 444.538 4.292 5 20 IIBD CC(C)(C)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cc(F)ccc2[N+](=O)[O-])[nH]n1 1816761866 QHAKXWNQTHRLMD-SFHVURJKSA-N 445.495 4.128 5 20 IIBD C[C@@H]1CCC[C@@H]1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(F)c2[N+](=O)[O-])n[nH]1 1821170636 YGWCDRLXPWTYIP-GLJUWKHASA-N 443.479 4.199 5 20 IIBD Cc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCC(C)C)n[nH]2)cc1[N+](=O)[O-] 1821933113 MVRZADRJAUWVRS-LJQANCHMSA-N 441.532 4.297 5 20 IIBD Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3CCCCC3)CC2)ncc1[N+](=O)[O-] 1826283058 VENHKVWDMGVRMR-NRFANRHFSA-N 442.560 4.112 5 20 IIBD Cc1c(C(=O)N2CCCC23CN(C(=O)CCC2CCCC2)C3)cc(Cl)cc1[N+](=O)[O-] 1845498997 RSQBXSVRURMZET-UHFFFAOYSA-N 433.936 4.344 5 20 IIBD CCC[C@H]1CC[C@H](C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccccc3[N+](=O)[O-])C2)CC1 1847058079 AFERROQTDPFPMY-CDHKCVOXSA-N 439.556 4.418 5 20 IIBD Cc1cc(CCCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CC(C)(C)C)c([N+](=O)[O-])cc1F 1847713297 ANHZDHCRRYJCRM-OALUTQOASA-N 433.524 4.003 5 20 IIBD CCN(CC)CCn1c(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)nc2ccccc21 10653014 WXFUBQNRRYXOAL-UHFFFAOYSA-N 427.530 4.261 5 20 IIBD COc1ccc2cc(CN(C)C(=O)COC(=O)c3cc(Cl)ccc3[N+](=O)[O-])ccc2c1 10979229 NEVHYQDZSTVBGD-UHFFFAOYSA-N 442.855 4.225 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 16926096 QOJSRPDBFWKXNN-GFCCVEGCSA-N 447.875 4.324 5 20 IIBD COCCn1c(S[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nc2ccccc21 17656274 CUTKGSRMDNNLTK-ZDUSSCGKSA-N 425.470 4.494 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cc(F)c(Cl)cc1Cl 17750797 HKZHEGJSVNKTJA-QMMMGPOBSA-N 431.203 4.233 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1sc(-c2ccccc2)nc1C 17828230 ZOGYLNGNYGUZTF-CYBMUJFWSA-N 441.465 4.219 5 20 IIBD O=C(NCCc1ccccc1F)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 18826037 IABSAQFDXGJVBE-UHFFFAOYSA-N 439.409 4.328 5 20 IIBD CCN1CCN(c2ccc(Cl)cc2NC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 23139282 YJCGVSJJVPYOCF-UHFFFAOYSA-N 434.949 4.121 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cccc(-c4nncn4C)c3)cc2[N+](=O)[O-])C1 31125001 FHVHAFYBPHPMOU-IYBDPMFKSA-N 434.500 4.125 5 20 IIBD Cc1ccc(-c2nc(C(=O)N[C@H](CC(=O)OC(C)C)c3ccccc3[N+](=O)[O-])cs2)o1 31224561 ITQKUVNNOJFYJA-OAHLLOKOSA-N 443.481 4.433 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1 61192577 LPASBULZPQTNCL-UHFFFAOYSA-N 441.875 4.059 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 72045202 PIAVYCLYYKRNLH-UHFFFAOYSA-N 433.873 4.331 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@@H]2CCC(C)(C)c3ccccc32)ccc1[N+](=O)[O-] 72080494 WCFRDRAEMKTHSP-IRLDBZIGSA-N 435.524 4.437 5 20 IIBD O=C(NCc1ccnc(OC2CCCCC2)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 116428386 DTGOIPUMQMFGMJ-UHFFFAOYSA-N 438.528 4.234 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 116650105 PITOSJFLYVXCTJ-CQSZACIVSA-N 442.859 4.327 5 20 IIBD CC1CCN(C[C@@H]2CCCN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)CC1 216324649 XMAPDLJRMAHCLD-KRWDZBQOSA-N 428.558 4.302 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNCCCOC[C@@H]3CCOC3)o2)c(Br)c1 236568277 ORTOLGCBBSRXBL-AWEZNQCLSA-N 439.306 4.150 5 20 IIBD COc1cc(CNC[C@H]2CCN(c3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F 237465441 ICSHDGCJXXGKAJ-OAHLLOKOSA-N 439.434 4.161 5 20 IIBD CS(=O)(=O)c1cccc([C@H](NCc2ccc([N+](=O)[O-])cc2)c2ccc(F)c(F)c2)c1 237474058 XOVRFGZKLIOOTL-NRFANRHFSA-N 432.448 4.156 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N2CCC[C@H](c3nc4ccccc4o3)C2)c([N+](=O)[O-])c1 301274042 RLIPOTFVWWYVIR-INIZCTEOSA-N 431.452 4.085 5 20 IIBD CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 303418187 XIHARVPATMLPRO-FUHWJXTLSA-N 429.904 4.163 5 20 IIBD C[C@@H](CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)N(C)Cc1ccccc1 303514233 UELZKCGUWSMIKC-RBUKOAKNSA-N 447.539 4.413 5 20 IIBD Cc1cc(I)ccc1NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 409682448 AMUDSRIVIZVEOZ-LLVKDONJSA-N 425.226 4.391 5 20 IIBD Cc1nn(Cc2ccc(-c3nc(-c4ccnc(OC(F)F)c4)no3)cc2)c(C)c1[N+](=O)[O-] 410181923 KKOGKYXLGZNWAT-UHFFFAOYSA-N 442.382 4.170 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1ccc(Br)cc1F 426511309 ZBZJGGCYTVJOME-SNVBAGLBSA-N 443.294 4.072 5 20 IIBD CN(CC(=O)O)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2 427775705 GTVOJNAOHMMQNB-SSZFMOIBSA-N 431.448 4.177 5 20 IIBD COC(=O)[C@@H](CC1CCCCC1)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 427964709 JVFISSPHFDDRAH-HXUWFJFHSA-N 442.462 4.201 5 20 IIBD CC(C)N1CCCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 428247211 JIQPPNANJMQUIU-OAQYLSRUSA-N 430.936 4.344 5 20 IIBD CCC[C@H](NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)C(=O)N1CCc2sccc2C1 429561160 UCXMASOHWGQULX-INIZCTEOSA-N 430.530 4.148 5 20 IIBD Cn1cc(CN(Cc2ccc(Cl)cc2)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cn1 430271691 HKEOLUHLZGOMMB-UHFFFAOYSA-N 438.875 4.234 5 20 IIBD CC[C@@H](C)[C@H](C)N(C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)C1CC1 430358096 NROYPVYTPLHPAF-PWSUYJOCSA-N 426.311 4.030 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)N(C)[C@H]2CC[C@H](C)C2)cc([N+](=O)[O-])c1C 430443383 CDXXTPJEGNKDJC-YOEHRIQHSA-N 445.541 4.273 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](OCCCc2ccccc2)C1 430957810 UTSSBCCUFMLMRA-VQIMIIECSA-N 431.920 4.299 5 20 IIBD O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 436080147 DGGQAVQIYGCINF-SFHVURJKSA-N 429.495 4.215 5 20 IIBD O=C(NC1CCN(Cc2ccc(F)c(F)c2)CC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 438007496 CKGAVEAKLSABHU-UHFFFAOYSA-N 444.482 4.212 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)Nc2nc3c(s2)CCCCC3)cc1[N+](=O)[O-] 438792892 JGSMZAMRGCHLKE-UHFFFAOYSA-N 446.348 4.192 5 20 IIBD Cc1c(CC(=O)Nc2cc(Br)cnc2OCC(F)(F)F)cccc1[N+](=O)[O-] 438837286 RSANWAWMPQVIGZ-UHFFFAOYSA-N 448.195 4.183 5 20 IIBD CO[C@@H](C)c1nc(CN2CCCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)cs1 439601431 ASOAFWFGCZIXIA-HNNXBMFYSA-N 427.530 4.019 5 20 IIBD CC(=O)c1ccc(OCC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccco2)c([N+](=O)[O-])c1 440872715 RIEVHKANWASFIG-FQEVSTJZSA-N 447.447 4.456 5 20 IIBD COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444092151 CCOOTXWJVHLMMY-NBGIEHNGSA-N 434.442 4.428 5 20 IIBD CO[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1ccc(F)cc1 444127945 PKWFCEFVJPGFPM-IBGZPJMESA-N 426.394 4.216 5 20 IIBD COc1cc(NC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])ccc1F 444468737 RDJOFTFEDBIGTH-UHFFFAOYSA-N 433.417 4.039 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1nc2ccccc2n1C(F)F 444660427 FWYBAXXFGDSVRB-GFCCVEGCSA-N 433.415 4.028 5 20 IIBD CN(CC1CCN(c2ccncc2)CC1)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 445131237 DDDSAWXKQSARKU-UHFFFAOYSA-N 426.520 4.065 5 20 IIBD CC(C)N(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@@H](O)COc1ccccc1 446842071 CQKXWOGHLVVUOW-HXUWFJFHSA-N 427.526 4.369 5 20 IIBD Cc1nc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])sc1Cc1c(F)cccc1F 446947541 YTXRGCWUIFWWNY-UHFFFAOYSA-N 425.438 4.030 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CC[C@@H](CN4CCCCC4)C3)cc2[N+](=O)[O-])n1 461416880 FYHNXUOAJOAIDG-INIZCTEOSA-N 446.598 4.459 5 20 IIBD O=C([C@H]1CCN(c2ccccc2F)C1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 463419377 VNBVWFQMQAEZSZ-HNNXBMFYSA-N 425.382 4.151 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1OC 464725163 VLVVHTGHXAFOCE-SFHVURJKSA-N 431.876 4.063 5 20 IIBD COC(=O)c1ccc(C(C)C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 466477692 PVGFIBHTLLBURM-UHFFFAOYSA-N 446.403 4.324 5 20 IIBD C[C@@H](O)C[C@@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 469066201 RNIFVOVOYXEFAY-GCJKJVERSA-N 433.508 4.491 5 20 IIBD C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2I)c2c(O)cccc21 469179572 ZGEQWVHDGIENGW-SNVBAGLBSA-N 438.221 4.059 5 20 IIBD C[C@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@@H](c2ccsc2)O1 470630305 ZDMJROMLFJIJLX-XPTSAGLGSA-N 437.326 4.114 5 20 IIBD COc1cc(CCNC(=O)N2CCC(c3cccc(Cl)c3)CC2)c([N+](=O)[O-])cc1OC 473999648 JIQPKILQLSIZNR-UHFFFAOYSA-N 447.919 4.397 5 20 IIBD COc1ccc(C[C@@H](C)CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1OC 476180596 XBQQXGAPWVKMHU-MRXNPFEDSA-N 427.501 4.165 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])N1CCC2(CCN(Cc3ccccc3)C2)CC1 477056372 KETFABXVIFHVCR-UHFFFAOYSA-N 425.554 4.202 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 479585861 PXGFDLNYGPEBLA-QGZVFWFLSA-N 429.477 4.248 5 20 IIBD O=C(CCOCC(F)(F)C(F)(F)F)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 480086584 VIWIXAGNZYUVPG-UHFFFAOYSA-N 425.335 4.261 5 20 IIBD Cc1ccc(Sc2ccc(CN[C@@H]3CCN(CC(F)(F)F)C3=O)cc2[N+](=O)[O-])cc1 480919312 CPDCFUKONHQWHP-MRXNPFEDSA-N 439.459 4.307 5 20 IIBD O=C(COc1ccc(Cc2ccccc2)cc1[N+](=O)[O-])Nc1ccccc1N1CCCC1=O 481969184 NOFABLJFBMGXDZ-UHFFFAOYSA-N 445.475 4.330 5 20 IIBD CC[C@@H](C)n1ncc(NC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])c1C 482806954 ZSRCCWMSTXIOFS-GFCCVEGCSA-N 445.501 4.367 5 20 IIBD CCCC(=O)Nc1ccc(Cl)c(NC(=O)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 483725126 JDTSCMOASSJTRE-CYBMUJFWSA-N 446.891 4.111 5 20 IIBD COc1cc(NC(=O)c2cccc(SC)c2[N+](=O)[O-])cc(OC)c1Br 485504189 IPHLCDYWTAGNDB-UHFFFAOYSA-N 427.276 4.349 5 20 IIBD COC(=O)c1cc(Br)ccc1NC(=O)c1cccc(SC)c1[N+](=O)[O-] 485745659 YXSXNAURBQLKBT-UHFFFAOYSA-N 425.260 4.118 5 20 IIBD O=C(Nc1ccc(N2CCOCC2)nc1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 486868526 NWGKWOYNAUTRDN-UHFFFAOYSA-N 436.493 4.230 5 20 IIBD CCn1c(SCC(=O)Nc2ccc(OC(F)F)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 489414047 MWVFVGUPXYOSJS-UHFFFAOYSA-N 449.439 4.205 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 490018130 OYCLGGDDHZBHJO-GJZGRUSLSA-N 444.557 4.145 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC(Cc2ccccc2CO)CC1 490317854 WXBHLXQLYUYWJK-UHFFFAOYSA-N 440.543 4.128 5 20 IIBD COc1ccc(CNC(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc1[N+](=O)[O-] 490934008 LDJVSCSVTJWNIT-KRWDZBQOSA-N 437.456 4.090 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H](CO)c1ccc(Br)c(F)c1 494424573 JGBDDNBQNMCLIY-AWEZNQCLSA-N 432.633 4.005 5 20 IIBD COCCCN(C)[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 494818916 FOTXIGVDOCUFNA-FQEVSTJZSA-N 440.525 4.366 5 20 IIBD Cn1ccnc1[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(F)cc1 496309700 LIOLELMDNGFZNZ-SFHVURJKSA-N 437.456 4.110 5 20 IIBD O=C(Nc1ccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1)c1cccnc1 499614739 VHUIIVYGFWATIK-UHFFFAOYSA-N 432.461 4.387 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCOC[C@H]1c1c(C)nn(-c2ccccc2F)c1C 501172834 FPLMWZWPBZKXOR-NRFANRHFSA-N 438.459 4.059 5 20 IIBD CC(C)(COc1ccc(C(F)(F)F)cn1)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 502214051 JGXYOLAIMGXUJE-UHFFFAOYSA-N 446.813 4.048 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)n2)c1 505003849 YTMPSAFSMCOCSZ-UHFFFAOYSA-N 440.412 4.252 5 20 IIBD CCOc1ccc([C@H](C)NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1OCC 505982341 RCZOUOIXQHPHKE-HNNXBMFYSA-N 438.484 4.284 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1OC(F)F 509010589 GZZCHVQQNISAGK-UHFFFAOYSA-N 448.163 4.362 5 20 IIBD CN(C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1F 509702521 ZRMTYVJNMHZTSS-UHFFFAOYSA-N 433.237 4.174 5 20 IIBD O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 512481262 TUXCYXKLHHTOEH-QGZVFWFLSA-N 441.488 4.253 5 20 IIBD O=C(c1nn(-c2ccc(F)cc2)cc1Br)N1CCCc2c1cccc2[N+](=O)[O-] 513836710 LYMSYKSCGDMFTG-UHFFFAOYSA-N 445.248 4.275 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(Cc1cccs1)C1CC1 514571512 YUSARXGNISLMHC-UHFFFAOYSA-N 428.436 4.461 5 20 IIBD O=C(c1cccc2ccccc12)N1CCC(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 514898202 PMYKQYARYGZVRU-UHFFFAOYSA-N 429.476 4.190 5 20 IIBD Cc1ccc(Cc2sc(NC(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)nc2C)cc1 518793597 RBNIBNDTLYKBFK-UHFFFAOYSA-N 434.481 4.092 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCCOc1ccccc1-c1ccccc1 520627269 LPGXXWIJIWOMEP-UHFFFAOYSA-N 432.885 4.273 5 20 IIBD CC(C)[C@@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccncc2)no1 523980639 QJYFXRNKUCGRPG-CXAGYDPISA-N 427.486 4.034 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H](C3CCN(C)CC3)C2)cc1 534407572 ZEOMBSVAKKMGIK-SFHVURJKSA-N 439.512 4.200 5 20 IIBD CCc1ccccc1NC(=O)[C@H](C)[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534796116 HIVCGUCVXKRVTR-NGFNCXNUSA-N 427.482 4.088 5 20 IIBD O=C(c1cccc([C@@H]2CCOC2)c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 536387785 YEXPTZXASKVIPF-QGZVFWFLSA-N 449.429 4.080 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)c1 537320126 BDQOECDADFHLJK-GOSISDBHSA-N 441.532 4.244 5 20 IIBD COc1cc(CN2CCO[C@@H](c3ccccc3F)C2)c([N+](=O)[O-])cc1OCC(F)(F)F 537636860 FHFSRXRWYRDDGN-LJQANCHMSA-N 444.381 4.257 5 20 IIBD C[C@@H](NC(=O)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)c1ccc(OC(F)(F)F)cc1 538660796 YCRGYYPTFDPZAZ-CYBMUJFWSA-N 434.374 4.234 5 20 IIBD C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1OC(F)F 540347940 ZNZZJPZKOSNJDA-JTQLQIEISA-N 444.232 4.248 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC1CCN(Cc2ccc(F)cc2)CC1 541396990 OFGOIEJTFKYBTI-UHFFFAOYSA-N 437.924 4.260 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c1Br 541576547 MZANDZCLZMWLJJ-AWEZNQCLSA-N 430.661 4.431 5 20 IIBD O=C(NC[C@H]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1)c1ccccc1 542405114 IRPCQPAHAYIKBJ-OAHLLOKOSA-N 447.944 4.009 5 20 IIBD CCc1ccc([C@@H](NC[C@H]2CC(=O)N(Cc3ccccc3)C2)c2ccc([N+](=O)[O-])cc2)o1 542494791 PGVYDWFXGWTUKX-CLOONOSVSA-N 433.508 4.478 5 20 IIBD CCn1c(NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)OC)nc2cc(F)ccc21 543157806 ACTSBLFUZMWQBW-UHFFFAOYSA-N 446.460 4.011 5 20 IIBD CC(C)NC(=O)Nc1cccc(-c2noc(-c3ccn(-c4ccccc4[N+](=O)[O-])n3)n2)c1 544206797 WORCTXSBJGWLRV-UHFFFAOYSA-N 433.428 4.027 5 20 IIBD CC(C)O[C@@H]1C[C@@H](NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1(C)C 545213434 VNWGSWJYEFZQAK-IWMITWMQSA-N 426.517 4.485 5 20 IIBD CCCc1c(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cnn1-c1cc(C)ccn1 545489490 BZYWBZNRNQHCOI-UHFFFAOYSA-N 444.289 4.451 5 20 IIBD Cc1nn(Cc2ccc(-c3nc([C@@H]4OCCc5ccccc54)no3)cc2)c(C)c1[N+](=O)[O-] 545710280 PEBXWVWJYQMJHQ-OAQYLSRUSA-N 431.452 4.169 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3cccc(-n4ccnc4)c3)n2)c(Br)c1 546450129 ZPNXHBDJGCFITH-UHFFFAOYSA-N 426.230 4.184 5 20 IIBD COc1ccc(-n2ccnc2SCc2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)cc1 546559243 QBHXHDTWNLQNGX-UHFFFAOYSA-N 437.481 4.364 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3cc(F)cc(F)c3)no2)c(I)c1 546993783 DXLUHLHODFALFD-UHFFFAOYSA-N 429.120 4.195 5 20 IIBD O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 549029808 RFBSKBNDEFLUJV-GOSISDBHSA-N 431.374 4.075 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccncc1OCc1ccccc1 552711127 KEFFLADPSJBYCX-UHFFFAOYSA-N 449.510 4.445 5 20 IIBD O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N[C@H](CC1CCC1)c1ccccc1 560205514 RDQUDODLDGNXMO-GOSISDBHSA-N 446.301 4.344 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(CN(C)Cc3cscn3)c2)c1 570061601 XWZWEVKKAMNAAS-UHFFFAOYSA-N 426.498 4.334 5 20 IIBD Cc1ccc(C(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)CC2)c(C)c1 572935763 RGXJHBRWOIKQJX-UHFFFAOYSA-N 430.526 4.112 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(Cc1ncc(-c3ccc(Br)cc3)o1)CCO2 589303412 LEYHCBHMTVWVQL-UHFFFAOYSA-N 430.258 4.407 5 20 IIBD CC(=O)N[C@@H](CC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)c1ccc(Br)cc1 590550769 SCPDKXJLHQHVOP-INIZCTEOSA-N 434.290 4.180 5 20 IIBD CCOC(=O)c1c(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)sc2c1CCCCC2 603760112 DUPATZASUNUDLT-UHFFFAOYSA-N 432.454 4.083 5 20 IIBD COc1ccc(NC(=O)c2ccc(NCC(=O)Nc3ccc([N+](=O)[O-])cc3C)cc2)cc1 603821941 HBHHIQKHMSWOEO-UHFFFAOYSA-N 434.452 4.215 5 20 IIBD COc1ccc(CNC(=O)c2cc(-c3cc(C)oc3C)nc3onc(C)c23)cc1[N+](=O)[O-] 604017175 SKCFFBXQBDENQC-UHFFFAOYSA-N 436.424 4.255 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cccc(COCc3ccco3)c2)c(Cl)c1 604031401 AGOJQYSWBIAUTH-UHFFFAOYSA-N 436.873 4.037 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 604457656 VEYKHQYXDGXGOH-INIZCTEOSA-N 447.495 4.213 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 608880037 PDYKYQZHWFYLGY-IFXJQAMLSA-N 449.429 4.486 5 20 IIBD COC(=O)c1ccccc1N(C)C(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 609096022 RPVMHNKNTUGODX-HZPDHXFCSA-N 425.485 4.140 5 20 IIBD CC(C)C[C@@H](C)Oc1cc(CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])ccn1 609512930 NVXGMCODLOFZFS-MRXNPFEDSA-N 437.500 4.380 5 20 IIBD CCCCN(C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C)C1CC(C)(C)NC(C)(C)C1 609518278 VONYSZLZBZCWBA-UHFFFAOYSA-N 442.564 4.035 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 609787608 MNCQXALCIUGIOB-ZDUSSCGKSA-N 443.809 4.084 5 20 IIBD CC1(C)[C@H](NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)[C@H]2CCO[C@H]21 610154629 JLTVKBPMPIRCKJ-CDHQVMDDSA-N 429.904 4.404 5 20 IIBD CN(Cc1nnc2n1CCCCC2)C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611199187 GUKHQRDUWBTPSQ-UHFFFAOYSA-N 429.546 4.220 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)c1ccc(OC(F)F)cc1 725985369 RZNKVZOUWGPMEC-VIFPVBQESA-N 444.184 4.387 5 20 IIBD C[C@H](NC(=S)NNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1cccs1 726432615 PHZLRLMJULSDTH-ZETCQYMHSA-N 435.409 4.136 5 20 IIBD C[C@H](NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)c1cccs1 727283438 LYWBMPGODFRUCJ-LBPRGKRZSA-N 444.504 4.433 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccc([N+](=O)[O-])c(Cl)c3)cc2)c(C)c1[N+](=O)[O-] 727710758 DZRGTBCWWYARAZ-UHFFFAOYSA-N 429.820 4.270 5 20 IIBD C[C@@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccc2c(c1)CC(=O)N2C 728280439 SLMPJRWXACDQEG-MRXNPFEDSA-N 444.491 4.217 5 20 IIBD O=C(COC(=O)C[C@H](c1ccccc1)C(F)(F)F)Nc1cc([N+](=O)[O-])ccc1Cl 728652326 GZPRFWRTGNSMCO-CYBMUJFWSA-N 430.766 4.466 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)C[C@@H](c1ccccc1)C(F)(F)F 728658276 UDOPPBJNERXCAO-DOMZBBRYSA-N 440.374 4.210 5 20 IIBD CCCCN1C(=O)C[C@@H](C(=O)OCc2c(F)cccc2[N+](=O)[O-])[C@H]1c1ccc(OC)cc1 728988670 URWBXPMPCOQUOX-VGOFRKELSA-N 444.459 4.176 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 729573332 QELXDNVWQDTONF-UHFFFAOYSA-N 441.488 4.296 5 20 IIBD Cc1cc(=O)c(C(=O)N[C@H](C)c2csc3ccccc23)nn1-c1ccccc1[N+](=O)[O-] 729958162 DFNCLUQFZNTUOE-CQSZACIVSA-N 434.477 4.155 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 730573614 NGVUZMKBJJBRTL-OAQYLSRUSA-N 442.468 4.127 5 20 IIBD O=C(NCCCc1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 731200642 GBEWAWFSYNNTII-UHFFFAOYSA-N 432.318 4.320 5 20 IIBD O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc2c(s1)-c1ccccc1OC2 731509533 FTZQTDXFICLIMN-GOSISDBHSA-N 436.445 4.178 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccnc(C3CC3)n2)c2ccccc2)c([N+](=O)[O-])c1 732698472 VQEPJXBTJDTDKJ-FQEVSTJZSA-N 432.436 4.107 5 20 IIBD O=C(O[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1cc([N+](=O)[O-])ccc1Cl 733389014 AVZMHIXLQGBPHP-HNNXBMFYSA-N 428.750 4.229 5 20 IIBD C[C@@H](OC(=O)[C@H]1CSc2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 735737672 FYSITFUGDQGHOG-MFKMUULPSA-N 440.399 4.373 5 20 IIBD CC1CCN(c2nn(CN3CCCc4ccc([N+](=O)[O-])cc43)c(=S)n2C2CC2)CC1 738044920 SENVPFIVOOSYMU-UHFFFAOYSA-N 428.562 4.304 5 20 IIBD C[C@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@H]1NC(=O)OC(C)(C)C 740829293 KPPPNMBNOACPBH-XJKSGUPXSA-N 446.529 4.094 5 20 IIBD COCC[C@H](Cc1cccc(Br)c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 741174987 BCPVAYMSUGFPGK-CYBMUJFWSA-N 425.254 4.330 5 20 IIBD C[C@H]1CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)CC[C@H]1c1ccccc1 742416932 JDHBGBXRLQKTRY-FXAWDEMLSA-N 429.542 4.009 5 20 IIBD Cc1cc(O)nc(-c2cccc(OC(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)c2)n1 744218286 XFLWNYYMSRKRBR-UHFFFAOYSA-N 434.452 4.275 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2Cl)c([N+](=O)[O-])cc1OC(F)F 744535122 VQNSQXORMOAPFD-SECBINFHSA-N 444.774 4.042 5 20 IIBD C[C@@H]1CCC[C@@H](OCc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1 745098738 HEQVMXDKTKTAQY-RDTXWAMCSA-N 449.485 4.399 5 20 IIBD O=C(COC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 745240944 KCFYCIVMNCMFFF-VXGBXAGGSA-N 444.312 4.177 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 747225766 IJXGAPZESYGYKI-DEOSSOPVSA-N 436.512 4.044 5 20 IIBD COc1ccc(NC(=O)[C@@H](OC(=O)Cc2cccc([N+](=O)[O-])c2C)c2ccccc2)cc1 748471611 MYIGLCPOCKRLLW-QHCPKHFHSA-N 434.448 4.378 5 20 IIBD Cn1ccnc1Sc1ccccc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 748512715 HFRYTHVVWGQYJI-UHFFFAOYSA-N 433.287 4.494 5 20 IIBD Cc1c(C(=O)N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748734145 ZDBUDFUQGUVKGW-UWJYYQICSA-N 427.457 4.360 5 20 IIBD CCCN(Cc1ccc(C)cc1)C(=O)COC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 748946266 FOYBNGRKUNSJMN-UHFFFAOYSA-N 443.456 4.024 5 20 IIBD O=C(Nc1cccc(COC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c1)c1ccccc1 750428332 ZNFUQRNFVHKIRB-UHFFFAOYSA-N 442.431 4.390 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Br)N1CCC(OCCc2ccccc2)CC1 751109241 PLABRLBUMAKMIR-UHFFFAOYSA-N 433.302 4.221 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)NC2CCN([C@H](C)c3ccccc3)CC2)cc1[N+](=O)[O-] 752251662 QSZHUEKHKBAHKD-OAHLLOKOSA-N 437.949 4.061 5 20 IIBD Cc1cc(F)cc(C(=O)OCC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-] 752556473 ZYYANMLBBPRGRR-SNVBAGLBSA-N 429.231 4.383 5 20 IIBD COC(=O)C[C@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1)C1CC1 753762568 IQKFVUHNVBSOGU-HNNXBMFYSA-N 448.859 4.121 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1OCC[C@H]1CCOC1=O 753798345 JHFGDICKJSDCNZ-NSHDSACASA-N 439.251 4.486 5 20 IIBD Cc1ccc(-n2nc(Br)cc2C(=O)N2CCCc3c2cccc3[N+](=O)[O-])cc1 754406552 SLLYPMFXUHIRKU-UHFFFAOYSA-N 441.285 4.444 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(N3CCC(Oc4cccc(Br)c4)CC3)cc2N1 758954437 WUYKMOBAHUZGSZ-UHFFFAOYSA-N 446.301 4.290 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1cncc(F)c1 759426905 TWRALLZMUJRVHV-SFHVURJKSA-N 429.791 4.319 5 20 IIBD Cc1c(C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)nnn1-c1ccccc1Cl 760520690 XFHHSJQUMKWVNC-UHFFFAOYSA-N 439.815 4.149 5 20 IIBD COc1cc(COC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccn1 762761683 LFNJWNSXYITLOW-UHFFFAOYSA-N 426.812 4.240 5 20 IIBD Cc1cc(CN(CC(C)C)C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])nc(N2CCCCC2)n1 764559442 QWSHHNNKNPTMRL-UHFFFAOYSA-N 443.523 4.429 5 20 IIBD CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2cccc(-c3cccnc3)c2)NC(=S)N1 768485330 CQVMURPSVBXPLV-NRFANRHFSA-N 445.504 4.088 5 20 IIBD CC(C)(C)c1nnc2ccc(C(=O)O[C@H](c3cccnc3)c3ccccc3[N+](=O)[O-])cn12 769309409 KONULCRRUHOVTH-HXUWFJFHSA-N 431.452 4.276 5 20 IIBD CC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@H]1NC(=O)OC(C)(C)C 769485188 LQMBUEBYQLHLSQ-XJKSGUPXSA-N 429.464 4.321 5 20 IIBD CCn1c(Sc2ncnc3nc(SC)sc23)nnc1-c1ccc([N+](=O)[O-])cc1 771238908 MSOCDLNPWNPBOH-UHFFFAOYSA-N 431.528 4.146 5 20 IIBD C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 771932485 WIFFIAYOQYWXJC-ZYHUDNBSSA-N 448.398 4.404 5 20 IIBD O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N1CCCCC1=O 773431756 QVAKIVWOOBIMCM-LJQANCHMSA-N 447.285 4.154 5 20 IIBD COc1cc(CN(C)Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)c(SC)cc1OC 774638346 RCTQRJXALTVXOC-UHFFFAOYSA-N 436.921 4.427 5 20 IIBD CCOc1ccc2c(c1)[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)CCO2 775351715 TYTDYSOXZRSADP-AWEZNQCLSA-N 439.237 4.149 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(C)C[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1C 775761872 XHJBZRRCLQCTRK-ROUUACIJSA-N 440.456 4.359 5 20 IIBD O=[N+]([O-])c1ccc([C@H](O)CS(=O)(=O)Cc2ccc(Oc3ccccc3F)c(F)c2)cc1 776263933 UQTVNTTVAFJADT-LJQANCHMSA-N 449.431 4.314 5 20 IIBD Cc1cccc(CS(=O)(=O)NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)c1 778819177 DKANCSSJZLGIGU-UHFFFAOYSA-N 434.539 4.198 5 20 IIBD Cn1ccnc1COc1ccc(COC(=O)c2cccc([N+](=O)[O-])c2Br)cc1 781677057 BUSJDGBROSVVDP-UHFFFAOYSA-N 446.257 4.027 5 20 IIBD COCc1nc(COC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)cs1 782057700 KHZZIONIEJPDGM-UHFFFAOYSA-N 437.524 4.471 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCC[C@@H](C4(C)OCCO4)C3)c([N+](=O)[O-])c2)cc1 784254556 JUOHNHVSROUDFY-GOSISDBHSA-N 425.485 4.135 5 20 IIBD COc1ccc(COC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c(Br)c1OC 785946481 AUCUZODJPIFOLS-UHFFFAOYSA-N 444.665 4.314 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 787160773 XXFIIQBZNSOIEL-KMKOMSMNSA-N 436.493 4.207 5 20 IIBD COc1cc(C(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])cnc1Br 788367779 VEHVYFORNXYSRA-KRWDZBQOSA-N 444.241 4.102 5 20 IIBD CCCCCCn1nc(C(=O)OCc2ncc(C)c([N+](=O)[O-])c2C)c2ccccc2c1=O 789442400 HGZVPCQYYJIJOL-UHFFFAOYSA-N 438.484 4.254 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2occc2CSc2ccccc2)c([N+](=O)[O-])c1 792737001 BHMTTXFBJALZFR-UHFFFAOYSA-N 442.449 4.284 5 20 IIBD Cc1sc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])nc1-c1ccc2c(c1)CCC(=O)N2 798659162 JXTWCGZCNZDHOJ-UHFFFAOYSA-N 426.429 4.303 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])cc(C)c2F)c(Br)c1 803460831 OHTZFSOGEIXWQY-NSHDSACASA-N 439.237 4.297 5 20 IIBD O=C(CSCC(=O)c1ccccc1)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 813305567 IIWDDMPECODNJP-UHFFFAOYSA-N 428.491 4.378 5 20 IIBD O=C(NCc1ccc(OCc2ccccc2)cc1)c1cc([N+](=O)[O-])ncc1Br 825425204 HPWNSMIFRQDKER-UHFFFAOYSA-N 442.269 4.261 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c1 915282222 IUTLITRQTUPZSO-UHFFFAOYSA-N 429.408 4.069 5 20 IIBD C[C@H](OC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1nc2ccccc2n1C(F)F 915356449 QWCZDHGKDSMCAH-LBPRGKRZSA-N 427.367 4.443 5 20 IIBD O=C(OCc1nc(-c2ccsc2)no1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 917258698 AROQSNVONWFABY-UHFFFAOYSA-N 429.332 4.004 5 20 IIBD O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1cccc(CS(=O)(=O)c2ccccc2)c1 917291329 CDTHNWQSZDLUDW-UHFFFAOYSA-N 429.425 4.065 5 20 IIBD O=[N+]([O-])c1cccc(N2CCN(Cn3nc(Nc4cccc(F)c4)sc3=S)CC2)c1 917455775 AHOYIVTYAUABQJ-UHFFFAOYSA-N 446.533 4.245 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 917943949 PFVFKXKCNKWSIG-UHFFFAOYSA-N 440.403 4.028 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 917984148 MRAFGWUBCSNMDG-AWEZNQCLSA-N 448.882 4.290 5 20 IIBD O=C(COC(=O)CCn1c2ccccc2c2ccccc21)Nc1cc([N+](=O)[O-])ccc1F 919298886 FEDGGRBGTVUMRP-UHFFFAOYSA-N 435.411 4.414 5 20 IIBD COc1ccc(CC(=O)NCc2ccc(C(=O)O[C@H](C)c3cccc([N+](=O)[O-])c3)cc2)cc1 919646354 UHTSINVFZJBAET-QGZVFWFLSA-N 448.475 4.380 5 20 IIBD CCOc1cc(NC(=O)NC2CCN(c3ccccc3)CC2)c([N+](=O)[O-])cc1OCC 919773074 TUFMJPMCIHXZOR-UHFFFAOYSA-N 428.489 4.183 5 20 IIBD Cc1sc2nc(CCC(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)nc(O)c2c1C 920341518 FFNJXLNTECLTDN-UHFFFAOYSA-N 434.905 4.167 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CC1CCN(C(=O)OC(C)(C)C)CC1 921306205 PEDVZFMXPJXPRX-UHFFFAOYSA-N 425.913 4.244 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)C(=O)NCc1ccco1 1317691783 NIUDJGNACNTUGO-AWEZNQCLSA-N 426.450 4.201 5 20 IIBD COc1ccc(C(=O)O[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1-c1ccccc1 1318374768 VMIZBIXOVSQPQS-QFIPXVFZSA-N 432.432 4.233 5 20 IIBD O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1Cc2ccc([N+](=O)[O-])cc2C1 1319176706 FNHPSHODGWBSGC-UHFFFAOYSA-N 425.448 4.058 5 20 IIBD Cc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c2c1[C@@H](C)CC2=O 1321804142 QIWSLHQMDCNVCW-JTQLQIEISA-N 440.271 4.123 5 20 IIBD Cc1ccc(Cn2ncc3c(C(=O)N4CCc5ccc([N+](=O)[O-])cc5C4)cc(C)nc32)cc1 1340204709 KRYPBTSCVQYEHN-UHFFFAOYSA-N 441.491 4.203 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)c3ccccn3)CCC2)cc1 1786601697 NDFWWANNSXRERX-UHFFFAOYSA-N 444.491 4.370 5 20 IIBD Cc1ncccc1C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3F)CCC2)cc1 1787320273 AQIGRYPGDCHXNA-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD CC(=O)Nc1ccc(C2(NC(=O)c3cccc(Br)c3[N+](=O)[O-])CCC2)cc1 1787815746 CVUSWKOOSZJIEZ-UHFFFAOYSA-N 432.274 4.125 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1)c1ccc2cc[nH]c2c1 1790186614 ZZKZNMROLYKNAU-UHFFFAOYSA-N 443.463 4.466 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3cccc(F)c3[N+](=O)[O-])CCC2)cc1)C1=COCCC1 1791639231 JMFSHSFGHOQHBA-UHFFFAOYSA-N 439.443 4.176 5 20 IIBD CC(C)(F)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])cc2)CCC1 1792315563 BAEPUXNUEFLPIO-MDWZMJQESA-N 425.460 4.490 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccccc4[N+](=O)[O-])cc3)CCC2)n[nH]1 1792317250 GXQHAADHNOTOES-KPKJPENVSA-N 445.479 4.087 5 20 IIBD Cc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc4ccoc4c2)C3)cc1[N+](=O)[O-] 1800139516 XKPMKXOQYTYGJF-WKCHPHFGSA-N 447.491 4.144 5 20 IIBD CC1(C)CCC(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1 1800342535 KRWPOQUHWMYXGX-REPLKXPHSA-N 443.544 4.159 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)C2CC2)[nH]n1)c1cc2cc([N+](=O)[O-])ccc2s1 1821611422 RVMPIHTZHWPXQL-INIZCTEOSA-N 439.497 4.249 5 20 IIBD COc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CC(C)(C)C)CC2)ccc1[N+](=O)[O-] 1826337417 IFYPELYDLMXWEC-IBGZPJMESA-N 445.560 4.273 5 20 IIBD O=c1c2ccccc2n2c(SCc3cccc([N+](=O)[O-])c3)nnc2n1Cc1ccccc1 9947307 MLIFPWVKXMAOLG-UHFFFAOYSA-N 443.488 4.293 5 20 IIBD COCCN(C(=O)CSc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 14790462 SPKWGZYIBWMMBC-UHFFFAOYSA-N 429.523 4.490 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)cc1 15411066 IWPGTWATFLXEJY-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD Cc1cccc2c(=O)[nH]c(COC(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)nc12 16254280 TWKLBIITQYNPJT-UHFFFAOYSA-N 444.447 4.109 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 60555640 HOGZQTQELUEDOW-MRXNPFEDSA-N 426.454 4.048 5 20 IIBD O=C(Cn1cnc([N+](=O)[O-])n1)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 71962868 NDFWNQYSVXZXSJ-FVHRJPMJSA-N 442.479 4.010 5 20 IIBD C[C@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 71970329 NITXIHHXYRYDGA-CYBMUJFWSA-N 439.331 4.347 5 20 IIBD C[C@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(N2CCCCC2)cc1 115018480 IMQKZHMPVOPGCP-AWEZNQCLSA-N 431.876 4.423 5 20 IIBD CC1CCN([C@@H](CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)c2cccs2)CC1 301339493 FGQNHEFDPLCDAW-IBGZPJMESA-N 430.530 4.498 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c1[N+](=O)[O-] 301695312 AWSZWRBVUGWQFQ-CYBMUJFWSA-N 432.502 4.023 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccc(Br)c(F)c1 303034710 YBUXSYUSGMNWKK-UHFFFAOYSA-N 439.284 4.373 5 20 IIBD CC(C)[C@@H]1CCCN(C(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 303580841 OVORSZPIZSLOFW-QGZVFWFLSA-N 445.541 4.294 5 20 IIBD COCCN(C(=O)c1cn(C)nc1C(C)(C)C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 426279463 VKRXRBJBOXFEEO-UHFFFAOYSA-N 443.529 4.043 5 20 IIBD CCCCN(C)CC1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 426282412 SBQIGBIOOXACRL-UHFFFAOYSA-N 430.471 4.267 5 20 IIBD O=C(Nc1cc(Cl)c(F)c(Cl)c1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 427162355 LEAIDCDYBSSOAL-LLVKDONJSA-N 432.260 4.346 5 20 IIBD C[C@H]1C[C@H](N(C)C(=O)c2ccc(Br)cc2[N+](=O)[O-])CCN1Cc1ccccc1 430600282 HDSFTMPYEVWMRZ-MAUKXSAKSA-N 446.345 4.482 5 20 IIBD CC1(C)C[C@H](NCc2csc(CNC(=O)c3ccccc3)n2)c2cc([N+](=O)[O-])ccc21 433281850 DGTMKVDEPTYMSH-FQEVSTJZSA-N 436.537 4.494 5 20 IIBD C[C@@H](c1ccncc1)N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435487637 UAELRFKUOWMOAK-ZDUSSCGKSA-N 442.522 4.361 5 20 IIBD CC(C)(NC(=O)C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 436622772 FJZKRVCIBOWNIT-JOCHJYFZSA-N 447.491 4.213 5 20 IIBD CCN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@H](Cc1ccc(F)cc1)C(C)C 437098755 PIDAXRMHZCDNDY-OAQYLSRUSA-N 425.464 4.044 5 20 IIBD Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 437783751 IINISVZTJRCEHW-UHFFFAOYSA-N 438.484 4.327 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1cc(C2CC2)nn1-c1ccccc1 438660134 HDSOQOVNKXRJQQ-UHFFFAOYSA-N 447.495 4.034 5 20 IIBD CCN(c1ccccc1)c1ccc(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 442380127 KYJMRSKEURDNGO-UHFFFAOYSA-N 432.480 4.316 5 20 IIBD C[C@@H](C(=O)Nc1ccc(C(=O)NC2CCCCC2)c(O)c1)c1ccc([N+](=O)[O-])cc1F 444396177 XPAWAXNVTRCTNI-CYBMUJFWSA-N 429.448 4.244 5 20 IIBD Cc1c(C)n(C[C@H]2CCCO2)c2ncnc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)c12 445956866 MAORDCHDJVSPHW-GOSISDBHSA-N 437.500 4.052 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(-c3noc(C(F)(F)F)n3)c2)c1C 447267189 ZXVWUPGGFAKVQU-UHFFFAOYSA-N 442.375 4.081 5 20 IIBD CCOc1cc(NC(=O)C2CCC(NC(=O)C(C)(C)C)CC2)c([N+](=O)[O-])cc1OCC 448134443 KCEZPGJWMAKGGK-UHFFFAOYSA-N 435.521 4.052 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)cc1OC 460576521 QZRGKDVJEIVOLS-ZQWRNJAYSA-N 448.903 4.409 5 20 IIBD Cc1ccsc1-c1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1C[C@H]1CCCO1 461125006 NDXXCVNZZOSWJJ-QGZVFWFLSA-N 427.530 4.081 5 20 IIBD O=C(NCCc1ccn(-c2ccc(F)cc2)n1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 463933938 IWQACSULDZRIOO-UHFFFAOYSA-N 437.456 4.016 5 20 IIBD CCOc1ccc(NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)c2ncccc12 464334991 BSOLKKOKJZXKSJ-UHFFFAOYSA-N 427.482 4.422 5 20 IIBD O=C(Nc1nccc(-c2ccco2)n1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 464461894 NZJZDADBXFLWNB-UHFFFAOYSA-N 445.222 4.390 5 20 IIBD O=C1C[C@]2(CCCN(C(=O)c3cccc(Sc4ccc(Cl)cc4)c3[N+](=O)[O-])C2)CN1 466865897 IQYYWVKKVDYMMT-OAQYLSRUSA-N 445.928 4.142 5 20 IIBD CCn1c(S[C@@H](C)c2nnnn2C2CCCCC2)nnc1-c1ccc([N+](=O)[O-])cc1 468465314 DOWMAZZYMOLLQH-ZDUSSCGKSA-N 428.522 4.218 5 20 IIBD COc1cc(S(=O)(=O)Nc2c(C)c(C(C)(C)C)nn2-c2ccccc2)ccc1[N+](=O)[O-] 469279232 PIBHIWFITFJVGB-UHFFFAOYSA-N 444.513 4.196 5 20 IIBD C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 470175695 RMAZFJDIJMHSPF-ATVHPVEESA-N 425.504 4.474 5 20 IIBD O=C(Nc1ccc(F)cc1-c1nc(C2CC2)no1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 471619703 QEFBOXGKQRSLFN-UHFFFAOYSA-N 434.387 4.099 5 20 IIBD COC(=O)C[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc2ccccc2c1 471653828 PQSXIPGKKDSISC-QFIPXVFZSA-N 431.448 4.192 5 20 IIBD COc1cc(OC)c(OC)cc1CN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)(C)C 474158099 DEJOJPXXUIEFKU-UHFFFAOYSA-N 445.516 4.168 5 20 IIBD CCc1onc(-c2ccccc2Cl)c1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 476049405 IXBVJNRZBZZWMP-ZDUSSCGKSA-N 441.875 4.187 5 20 IIBD Cc1c(CNC(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cccc1[N+](=O)[O-] 480059309 UCELBXMEZKPCTR-ZDUSSCGKSA-N 428.436 4.468 5 20 IIBD COc1cc(OC)cc(N2CC[C@H](NC(=O)c3cc4ccccc4c4cccnc34)C2)c1 480366982 UEEMHBXURWCADX-SFHVURJKSA-N 427.504 4.414 5 20 IIBD Cc1nc(O)cc(-c2ccc(NC(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1 481588277 WKDCNRWYUXABHZ-UHFFFAOYSA-N 427.848 4.083 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(OCc2ccccc2)CC1 481972728 HUMGPWMBJDROBU-UHFFFAOYSA-N 430.526 4.155 5 20 IIBD CCCOc1cc(NC(=O)N2CCC[C@](O)(C(F)(F)F)C2)c([N+](=O)[O-])cc1OCCC 482742164 AIXMFURTIHVNQA-GOSISDBHSA-N 449.426 4.094 5 20 IIBD Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 485968918 SSBRNBLNIQWSBC-HXUWFJFHSA-N 442.479 4.463 5 20 IIBD C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 486007156 NJLCMOOQFKKKPQ-CYBMUJFWSA-N 443.447 4.351 5 20 IIBD O=C(CSc1nncn1-c1cccc(Cl)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 486077029 SGCZAOCZGKUNOJ-UHFFFAOYSA-N 443.916 4.112 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(NC3CCN(Cc4coc(-c5ccccc5)n4)CC3)n2)cc1 486981805 SMMWKDDRZQRYQE-UHFFFAOYSA-N 446.467 4.376 5 20 IIBD O=C(NCC1(N2CCCC2)CCOCC1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 487616351 KXULQUFFONKGBW-UHFFFAOYSA-N 441.553 4.121 5 20 IIBD C[C@H](Sc1nnc(Cc2c(F)cccc2Cl)o1)C(=O)Nc1ccccc1[N+](=O)[O-] 488776850 AYYCQTCXVADKNN-JTQLQIEISA-N 436.852 4.480 5 20 IIBD CC(C)(NC(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)c1ccccc1[N+](=O)[O-] 490390026 OJKSOBDAMMILAG-NZQKXSOJSA-N 429.492 4.042 5 20 IIBD Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] 490432054 OLECTFVZQCUPJS-QMMMGPOBSA-N 436.291 4.003 5 20 IIBD Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)CC3 491533348 YKNYVUAXFBJTPT-GOSISDBHSA-N 432.524 4.275 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1[N+](=O)[O-] 491650987 BUNNZWZFYNCQSD-UHFFFAOYSA-N 431.495 4.326 5 20 IIBD CC(C)CCSc1ccc(C(=O)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1[N+](=O)[O-] 491881995 SFFWQNYEWXSTRC-FPOVZHCZSA-N 449.617 4.231 5 20 IIBD COC(=O)[C@]1(C)CCCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 494123475 FKMWGZLJZWWCPQ-NRFANRHFSA-N 448.859 4.217 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc(/C=C\c2ccco2)s1 497456713 BSLKBGAOKXLCBC-ALCCZGGFSA-N 432.483 4.201 5 20 IIBD C[C@H](NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H](C)c1ccccc1C(F)(F)F 499428941 ZKVPVHJTCKXSMR-OLZOCXBDSA-N 438.402 4.236 5 20 IIBD CC(=O)N[C@H](CC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(Cl)cc1 499502041 HMHWIJTWLRKTQE-OAHLLOKOSA-N 429.782 4.473 5 20 IIBD CC(C)n1c([C@H]2CCCN2S(=O)(=O)CCc2ccccc2[N+](=O)[O-])nc2ccccc21 500936793 BLUQKYYZIOFVPK-OAQYLSRUSA-N 442.541 4.235 5 20 IIBD O=C([C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1CC=C(c2cccc3ccccc23)C1 501619808 YDGWYKFIJMMIHE-FQEVSTJZSA-N 447.516 4.340 5 20 IIBD C[C@@H](Nc1ccc(CC(=O)N2CCc3ccccc32)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 501968919 MRARZVPKXRTXAF-QGZVFWFLSA-N 444.491 4.166 5 20 IIBD CCOc1cc(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1OC(F)F 502274002 MGGLDGOCGBXHER-UHFFFAOYSA-N 435.427 4.125 5 20 IIBD C[C@@H](NC(=O)C1(c2ccc(I)cc2)CC1)c1cccc([N+](=O)[O-])c1 503157855 JICCBVOUVSPBLX-GFCCVEGCSA-N 436.249 4.108 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 503463975 VQUHVYPPSSCKON-UHFFFAOYSA-N 429.476 4.298 5 20 IIBD COc1ccccc1-c1ccc([C@@H](C)NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)cc1 503503440 IVYTZXREMMCCFG-QGZVFWFLSA-N 440.521 4.494 5 20 IIBD C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ccc(NC(=O)c2ccncc2)cc1 504238466 ADWUEOFQBIRONF-AWEZNQCLSA-N 430.420 4.479 5 20 IIBD C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cc(C(=O)OC(C)(C)C)n(-c2ccccc2)n1 504375832 CKGZOQUPXKJXHR-HNNXBMFYSA-N 448.479 4.327 5 20 IIBD COc1cc(CN[C@H](C)c2ccc(-n3cccn3)cc2)c([N+](=O)[O-])cc1OCC(F)F 505481069 RLDUJJXZKRAFKP-CQSZACIVSA-N 432.427 4.284 5 20 IIBD C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 506050696 FITZETBNMQFMEY-AWEZNQCLSA-N 431.539 4.164 5 20 IIBD CN(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 507535701 UJVFNLQOEOGYIA-GOSISDBHSA-N 434.905 4.230 5 20 IIBD Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2cccc(F)c2)c(Br)c1 508269168 GDUKESZYJAWMQY-UHFFFAOYSA-N 435.209 4.275 5 20 IIBD Cc1c(Br)cc(C(=O)N(C)Cc2ncc(-c3ccccc3)[nH]2)cc1[N+](=O)[O-] 510040340 MBLZYVOHEAEGIV-UHFFFAOYSA-N 429.274 4.328 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Sc2nnc(C[C@H](C)c3ccccc3)o2)c([N+](=O)[O-])c1 513324673 HNSBENBLOOKTJZ-UONOGXRCSA-N 442.497 4.452 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)n(C)n1)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 513697229 LFHPAWDOELDUSH-UHFFFAOYSA-N 439.491 4.028 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)c2ccc(Br)cc2Cl)c1 515010633 UKXVORYMKFSUPO-UHFFFAOYSA-N 433.711 4.453 5 20 IIBD CCn1c(=O)c2ccccc2n2c(COc3ccc(-c4ccccc4)cc3[N+](=O)[O-])nnc12 516786573 QZZSVJLFALBJJI-UHFFFAOYSA-N 441.447 4.218 5 20 IIBD O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1ccc(Br)cc1 517578888 BQRNDSUKBQELSB-DLBZAZTESA-N 427.258 4.285 5 20 IIBD COc1cc(C(=O)NC[C@@H](C)Sc2ccc(Br)cc2)ccc1[N+](=O)[O-] 518818127 ZFZCDDXTAFUKRN-LLVKDONJSA-N 425.304 4.277 5 20 IIBD C[C@H](C(=O)Nc1ccc(N2CCN(C)CC2)cc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 520485524 WZKMNFIZFWBRQK-AWEZNQCLSA-N 436.434 4.108 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1C[C@@H]1c1cccc(Br)c1 522637023 CNURUEKRDJRPSR-HUUCEWRRSA-N 439.693 4.452 5 20 IIBD Cc1nc(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)nc2ccccc12 523279750 JCWLNPWVVQSYCJ-UHFFFAOYSA-N 427.464 4.389 5 20 IIBD CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc2c(c1)OCCO2 524144642 AUBQXJJKQMUNEY-GOSISDBHSA-N 435.274 4.256 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@@H](c1ccncc1)c1ccc(Cl)cc1 531142241 HIIRNYKWVJJHPL-HXUWFJFHSA-N 431.901 4.362 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)c1C 532449259 TWCODXHCYBUMEV-KRWDZBQOSA-N 441.509 4.225 5 20 IIBD CN1CCN(c2ccc(NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)c(C(F)(F)F)c2)CC1 535699594 JLRKPGYSZLDCEP-UHFFFAOYSA-N 447.417 4.099 5 20 IIBD COc1cc(CN[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c([N+](=O)[O-])cc1OC(F)F 539252492 KVWKLHBTRJDIFG-LBPRGKRZSA-N 435.427 4.404 5 20 IIBD O=C(Nc1ccc(COc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1N1CCOCC1 539545398 KJBYAICDZGHWSH-UHFFFAOYSA-N 433.464 4.263 5 20 IIBD CC(C)C[C@H]1C[C@H](NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CCO1 540766012 URQXIXYQNDSATN-OCCSQVGLSA-N 441.315 4.411 5 20 IIBD Cc1c(NC(=O)C(=O)N2CCC[C@H]2c2ccc(Br)s2)cccc1[N+](=O)[O-] 541427095 QWKKAYAZMRVJCH-ZDUSSCGKSA-N 438.303 4.029 5 20 IIBD COc1ccc(Oc2cc(CNC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)ccn2)cc1 541608925 YNMGUSXWFMYLIB-AWEZNQCLSA-N 425.416 4.350 5 20 IIBD COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 542072402 GHQOULRNMOSLHD-MRXNPFEDSA-N 449.891 4.108 5 20 IIBD Cc1ccc(S(=O)(=O)Cc2noc(-c3csc(-c4cccc([N+](=O)[O-])c4)n3)n2)cc1 544907987 NALQALHOBUBNJZ-UHFFFAOYSA-N 442.478 4.051 5 20 IIBD CC[C@H](c1ccccc1)c1nnc(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)s1 549204568 NGWMDGYGRDJVMT-GOSISDBHSA-N 425.514 4.695 5 20 IIBD C[C@@H](NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc(OCC(=O)NC2CC2)cc1 549536789 XTQLMJXYCSFMBP-CYBMUJFWSA-N 437.418 4.122 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCCO[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 549684824 QRIUORVNBPMULH-JOCHJYFZSA-N 447.557 4.061 5 20 IIBD O=C(CNC1[C@H]2CC[C@H]1Cc1ccccc1C2)Nc1ccc([N+](=O)[O-])cc1Br 558133679 HAEAMFLGAMUYDP-HOTGVXAUSA-N 444.329 4.079 5 20 IIBD Cc1ccc(NC(=O)C(=O)N[C@H]2c3cc(Br)ccc3CC2(C)C)cc1[N+](=O)[O-] 560200238 RSZUIYLOMPMEJM-KRWDZBQOSA-N 446.301 4.044 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCOC[C@@H](C4CCC4)C3)cc2[N+](=O)[O-])n1 561746367 ROKZZDWBSILDPU-INIZCTEOSA-N 433.555 4.400 5 20 IIBD C[C@@H](CC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)c1ccccc1C(F)(F)F 573715494 GNHKJUHVUUZOIU-HNNXBMFYSA-N 449.429 4.092 5 20 IIBD COc1cc(CCNC(=O)N2CCC(CCc3ccccc3)CC2)c([N+](=O)[O-])cc1OC 588628108 LNNHJXYMXUVLAB-UHFFFAOYSA-N 441.528 4.209 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 589063230 JCYOWROXRKXMAR-XOKHGSTOSA-N 432.502 4.064 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC(Cc2cccc(C(F)(F)F)c2)C1 590422290 AMKJTRWQHBOELY-UHFFFAOYSA-N 430.386 4.114 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)cc1 603556296 HYGYHMDQDDFSTF-ZPSAWSNLSA-N 434.517 4.312 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cc([N+](=O)[O-])ccc1OC(F)F 603638274 JLLADTMBGMCRJF-UHFFFAOYSA-N 439.374 4.303 5 20 IIBD CSc1cc(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)ccc1NC(C)=O 603784709 JDOJYBIQSVQNRL-UHFFFAOYSA-N 441.431 4.480 5 20 IIBD COC(=O)c1cc(C(=O)Nc2nc(C)c(Cc3cccc(F)c3)s2)cc([N+](=O)[O-])c1 603974520 YGBFFYBLJVPXAE-UHFFFAOYSA-N 429.429 4.129 5 20 IIBD COc1cc2nc(C)sc2cc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 608849379 GNOUGEIQCYYVGW-UHFFFAOYSA-N 426.498 4.377 5 20 IIBD Cc1ccc(S(=O)(=O)c2ccc(Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)cc2)cc1 608869719 GJFRISKYRXVKBD-UHFFFAOYSA-N 434.477 4.043 5 20 IIBD C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccc([N+](=O)[O-])cc1I 609647434 OPTVWBGRWIZPGU-OCCSQVGLSA-N 436.249 4.218 5 20 IIBD Cc1ccc(NCCCNC(=O)Nc2cc3c(cc2Cl)OCCCO3)c([N+](=O)[O-])c1 610092533 NSVRZLNHQVADTN-UHFFFAOYSA-N 434.880 4.342 5 20 IIBD CN(CC(C)(C)C)C(=O)c1cccc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)c1 610174668 VRIHEYRGANXQPU-UHFFFAOYSA-N 435.484 4.151 5 20 IIBD O=C(NCc1ccccc1COc1ccccc1Cl)c1cc2c(cc1[N+](=O)[O-])OCO2 610203367 KWPJTOKMMBAQLH-UHFFFAOYSA-N 440.839 4.486 5 20 IIBD COc1cc(OC)c(C2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)c(OC)c1 610580871 ZHOIYORSGOFYNV-UHFFFAOYSA-N 427.457 4.141 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N(C)CCOC(C)(C)C)cc1[N+](=O)[O-] 610862330 JLECHSDORZNMTI-UHFFFAOYSA-N 430.526 4.435 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CCN(c2ccccc2O)CC1 611198305 NJTIWMFQWAXAJK-UHFFFAOYSA-N 427.526 4.298 5 20 IIBD Cc1ccc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)cc1NC(=O)c1ccco1 619213815 LTNRLFCPDGSOKC-UHFFFAOYSA-N 437.408 4.162 5 20 IIBD COc1c([N+](=O)[O-])cc(NCc2nc(C)c3ccccc3n2)c([N+](=O)[O-])c1Br 726594555 QLGBIYHKZUQZEZ-UHFFFAOYSA-N 448.233 4.138 5 20 IIBD C[C@H](OC(=O)Cc1ccccc1Br)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 729731326 TXGGMDWIAHDOPJ-JTQLQIEISA-N 441.665 4.124 5 20 IIBD Cc1ncccc1C(=O)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 731096307 KNOFQAXCOCBJEE-IBGZPJMESA-N 425.828 4.488 5 20 IIBD CCNc1nc(Sc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])nc2ccccc12 731921647 MNUCMMZXCOKHKF-UHFFFAOYSA-N 440.453 4.117 5 20 IIBD Cc1ccccc1-c1noc(-c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)n1 733737655 PERXYCSIBVBLFZ-UHFFFAOYSA-N 437.433 4.388 5 20 IIBD Cc1noc(COc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)cc2)n1 733942131 FSHBZAQQQUJXJX-UHFFFAOYSA-N 437.456 4.108 5 20 IIBD O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H]1C[C@@H]1c1cccc2ccccc12 735350827 UYRLMBQRUPOEBX-UXHICEINSA-N 432.432 4.393 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)Nc1nc2ccsc2s1)c1ccccc1[N+](=O)[O-] 735577310 SGAAZPHNODVYDZ-ZDUSSCGKSA-N 434.499 4.471 5 20 IIBD COc1ccc([C@@H]2[C@@H](COC(=O)c3cc(SC)c(OC)cc3[N+](=O)[O-])CCN2C)cc1 735906976 ZTUHNUGMQXZBGC-QVKFZJNVSA-N 446.525 4.184 5 20 IIBD CC(C)[C@@H](OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(=O)N[C@H]1CCOc2ccccc21 736865426 AMNOUAWZLVRVTM-PKOBYXMFSA-N 432.860 4.070 5 20 IIBD CCc1cc(CNC(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)n[nH]1 739020386 QENYDDDOMZKOQA-UHFFFAOYSA-N 447.854 4.465 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(F)cc2OCC2CC2)cc1Br 740813113 SUNPTRPFAHFULO-UHFFFAOYSA-N 445.266 4.086 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC[C@H]1CCCO[C@H]1c1ccc(C)cc1 742430178 IGENJNGMFILWJX-QRWLVFNGSA-N 429.429 4.178 5 20 IIBD Cc1nn(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(=S)n1-c1ccccc1 743390838 NERTZHVASOIAEP-UHFFFAOYSA-N 425.514 4.121 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)cccc1[N+](=O)[O-] 744762770 BIMFSIDENFXQEP-LLVKDONJSA-N 442.394 4.058 5 20 IIBD Cc1cc(C)c(CCNC(=O)COC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)c1 745568201 LBESAORNHZLKAT-UHFFFAOYSA-N 438.402 4.055 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3sccc3C(=O)NC3CC3)cc2[N+](=O)[O-])C1 746777199 NJIPJKWQFKBYQN-ZIAGYGMSSA-N 442.541 4.283 5 20 IIBD O=C(NC[C@@H](O)c1ccccc1C(F)(F)F)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 747872476 CDNQHCDJAHCXIO-MRXNPFEDSA-N 437.399 4.201 5 20 IIBD Cc1cc(Cl)ccc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 748951956 SYEAWNMWXQMAKE-LBPRGKRZSA-N 435.820 4.266 5 20 IIBD O=C(COC(=O)c1cc(F)c(F)cc1Br)Nc1ccc([N+](=O)[O-])cc1Cl 750178772 DFIJYJBJFQVIAH-UHFFFAOYSA-N 449.591 4.084 5 20 IIBD Cc1nc(-c2cccc(NC(=O)COC(=O)c3cccc(Cl)c3[N+](=O)[O-])c2)cs1 750536702 UXXHFWQWQIJCDV-UHFFFAOYSA-N 431.857 4.476 5 20 IIBD O=C(c1cc2occc2[nH]1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 750845642 OHKDYGUXXROXSI-UHFFFAOYSA-N 436.493 4.356 5 20 IIBD C[C@H](C[C@H](O)c1ccccc1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 750906134 WRJJESHLRFGNME-BMIGLBTASA-N 427.682 4.253 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 751512095 PHCKWYXVKZKWMB-CYBMUJFWSA-N 443.953 4.104 5 20 IIBD O=C1N(CN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)CCN1c1ccccc1[N+](=O)[O-] 752795084 AFTSRBUNVUSFHL-MRXNPFEDSA-N 441.557 4.009 5 20 IIBD C/C(=C\C(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccccc1OC(F)F 753405406 LEOWYPVDLDDDIO-FYWRMAATSA-N 447.438 4.454 5 20 IIBD Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(O)n1 756241440 GVPDNCZWQVXUIO-UHFFFAOYSA-N 426.816 4.162 5 20 IIBD Cc1c(C(=O)N(C)Cc2ccc(Br)c(F)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 756773893 LZQPCYKQZQDJOF-UHFFFAOYSA-N 440.225 4.294 5 20 IIBD Cc1ccc(C)c(NC(=O)[C@H](OC(=O)c2cc([N+](=O)[O-])c(F)cc2N)c2ccccc2)c1 758074450 DXJMSYPUQDZKQL-OAQYLSRUSA-N 437.427 4.470 5 20 IIBD COC1CCC(CC(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)CC1 758517759 QAMXDPSVMNTSGP-BIXGBWIQSA-N 432.517 4.118 5 20 IIBD COc1cccc(Br)c1OC(=O)c1cccc([N+](=O)[O-])c1Br 758702430 PBJLXEDYMMXSPO-UHFFFAOYSA-N 431.036 4.348 5 20 IIBD CC(C)(C)[C@@H](NC(=O)COC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccs1 758737554 OAHXUVVOKYEYRN-FQEVSTJZSA-N 429.498 4.127 5 20 IIBD CC(C)[C@@H](OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)Nc1ccccc1Cl 758737681 OROPXDWCGVNFJQ-HXUWFJFHSA-N 429.860 4.479 5 20 IIBD O=C(O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1cnn(Cc2ccccc2Cl)c1 759944959 SSWBBXRKWUZLJX-ZWKOTPCHSA-N 429.864 4.030 5 20 IIBD COc1ccccc1-c1nc(C(=O)O[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cs1 759945189 GTDVOVLDEXKBLJ-WBVHZDCISA-N 428.470 4.264 5 20 IIBD O=C(Nc1nnc(-c2cccc(Br)c2)s1)c1cc(F)c([N+](=O)[O-])cc1F 763466645 KXFANOGTFTWUNE-UHFFFAOYSA-N 441.213 4.406 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 766306333 HNEWAKYPBWRMMA-MRXNPFEDSA-N 427.791 4.455 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(OCC(F)F)c(C(F)(F)F)c1 766775825 TVKYBUMBDBIHRG-UHFFFAOYSA-N 449.332 4.317 5 20 IIBD CC(=O)[C@@H](Cc1c(F)cccc1F)OC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 768693198 AJFJBSHNVZTRRB-GOSISDBHSA-N 427.787 4.039 5 20 IIBD COc1cccc(C(=O)OCC(=O)Nc2ccc(N3CCc4ccccc43)cc2)c1[N+](=O)[O-] 769576520 IFGQMNYLVGCSDM-UHFFFAOYSA-N 447.447 4.093 5 20 IIBD CCOC(=O)N1CC[C@H](NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 770104860 LGXAODXHMSFNOU-AWEZNQCLSA-N 449.916 4.360 5 20 IIBD CC(C)c1nc2ccccc2n1Cc1noc([C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 771308435 UTXJJANFWHCDMR-IBGZPJMESA-N 432.440 4.365 5 20 IIBD Cc1ccc(C)c(-n2ncc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c2C)c1 772390567 JYRQXYBYQTZVTB-UHFFFAOYSA-N 442.859 4.155 5 20 IIBD O=C(OCc1cccc(Cl)c1Cl)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 773431070 RMPYMAKNRWJCEX-GFCCVEGCSA-N 429.281 4.311 5 20 IIBD C[C@@H](C[C@@H]1CCOC1)OC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 774745696 NDXIDAPKNVUVSG-ROUUACIJSA-N 435.480 4.348 5 20 IIBD C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc(OCc2noc(C3CC3)n2)cc1 777689453 VAFZBHOCEPLIQE-CQSZACIVSA-N 437.456 4.263 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])c2nsnc2c1)c1cccc(NC(=O)c2ccccc2)c1 777798878 FYYJIFQVQGJCIA-CYBMUJFWSA-N 447.476 4.343 5 20 IIBD CC(C)(C)C[C@H](NS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1)c1ccccc1 777881317 ZVTFHVURUBIOTB-KRWDZBQOSA-N 447.513 4.007 5 20 IIBD O=C(Nc1cc(-c2nnc3n2CCCCC3)ccc1F)C(F)(F)c1ccc([N+](=O)[O-])cc1 777925340 ZSUBPOBXGMBASK-UHFFFAOYSA-N 445.401 4.449 5 20 IIBD Cc1cc(CNC(=O)c2c3c(cc([N+](=O)[O-])c2[N+](=O)[O-])OCCO3)ccc1-c1ccccc1 778122439 HALLGZJRDIFPLQ-UHFFFAOYSA-N 449.419 4.180 5 20 IIBD COc1cccc(-n2nc(C)c([C@H]3COCCN3Cc3cc(F)ccc3[N+](=O)[O-])c2C)c1 779611226 FZPCLLVSFNKKPM-JOCHJYFZSA-N 440.475 4.119 5 20 IIBD CCc1ccc2c(COC(=O)c3cccc([N+](=O)[O-])c3Br)cc(=O)oc2c1 781674417 GBYZHOCEXXRQAL-UHFFFAOYSA-N 432.226 4.383 5 20 IIBD CCOc1cc2c(cc1CNC(=O)c1cccc([N+](=O)[O-])c1Br)O[C@@H](C)C2 782117171 KUQFUGDDHYFLCI-NSHDSACASA-N 435.274 4.009 5 20 IIBD O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)c1cccc([N+](=O)[O-])c1Br 782167902 VCQUCQYTFCDTFS-UHFFFAOYSA-N 426.217 4.488 5 20 IIBD Cc1nnc([C@@H](C)OC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)s1 782426518 WJRVMXVVBRMSGP-SNVBAGLBSA-N 444.435 4.294 5 20 IIBD Cc1[nH]c2ccccc2c1C1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 783311271 CUPZCIVZSKVILD-UHFFFAOYSA-N 440.887 4.383 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 784526211 GUOLRGTYMPAJDS-HNNXBMFYSA-N 430.386 4.429 5 20 IIBD CO[C@H](C)c1nc(COC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cs1 784839598 VLPLWSJJKIWYGZ-SNVBAGLBSA-N 430.432 4.480 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(I)c1)c1cc(F)c(F)cc1Cl 788107652 JAPXWFBKJYVUPM-UHFFFAOYSA-N 438.555 4.383 5 20 IIBD Cc1cccc(C(=O)Oc2ccc(Oc3ncc(Br)cn3)cc2)c1[N+](=O)[O-] 789728577 UPGCNEDBBUTUAQ-UHFFFAOYSA-N 430.214 4.467 5 20 IIBD CCC(=O)Nc1ccc(C(=O)COc2cc(F)c(Br)cc2[N+](=O)[O-])cc1 790294991 DWTVZKRCERHYNG-UHFFFAOYSA-N 425.210 4.107 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@@H](C)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 792899343 SSSCTMXNSSOXPR-CYBMUJFWSA-N 448.317 4.060 5 20 IIBD COc1ccc2c(c1)C1(CC1)CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C2 794102129 UDQAKTWDHIQPMF-UHFFFAOYSA-N 435.249 4.193 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccc(N2CCCCC2=O)cc1 794219837 YIDYVAOOTLOTKR-KRWDZBQOSA-N 436.512 4.203 5 20 IIBD COc1cc(-c2nnc(COc3cc(F)c([N+](=O)[O-])cc3Cl)o2)cc(OC)c1OC 795244886 FNMOCLRFDGAHLV-UHFFFAOYSA-N 439.783 4.042 5 20 IIBD Nn1c(CSc2ccccc2)nnc1Sc1ccc([N+](=O)[O-])cc1Br 798396597 AQKKXEUPYFWQSM-UHFFFAOYSA-N 438.332 4.106 5 20 IIBD Cc1nc(-c2ccc(C(=O)O[C@@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cc2)cs1 799517453 GOGHKGRVJIBZPH-NSHDSACASA-N 429.429 4.350 5 20 IIBD COc1ccc(OC)c(CN(C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(C)(C)C)c1 801709286 LXLBNGRUGKMSOX-UHFFFAOYSA-N 445.472 4.280 5 20 IIBD COc1ccc(OC)c(-c2noc(CN(C)c3cc(Br)ccc3[N+](=O)[O-])n2)c1 809253136 FAUMPWNSUQMVCE-UHFFFAOYSA-N 449.261 4.061 5 20 IIBD CC(C)c1ccc(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)nc1 810169042 QNNRLHRCWHUZBI-IBGZPJMESA-N 425.485 4.355 5 20 IIBD O=C(NC[C@H](O)c1ccc(OC(F)(F)F)cc1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813481864 GVEUNMFZKSSIGS-ZDUSSCGKSA-N 439.173 4.264 5 20 IIBD C[C@@H](NC1(Cc2cccc(F)c2)CCOCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 815153294 LTYMGMVFRYMHGX-CQSZACIVSA-N 435.883 4.096 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H](O)Cc1cccc(C(F)(F)F)c1 815235776 FJWAEVLZBFKZFC-HNNXBMFYSA-N 437.292 4.279 5 20 IIBD C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 816819265 YVJALCZJSJLTTE-KZULUSFZSA-N 442.365 4.120 5 20 IIBD CCN1C(=S)N[C@H](c2ccc3ncccc3c2)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)=C1C 839457731 YDNFMQOOOLFPRS-OAQYLSRUSA-N 447.520 4.307 5 20 IIBD CC(=O)Nc1cccc(NC(=O)[C@@H](OC(=O)c2cc([N+](=O)[O-])ccc2Cl)C(C)C)c1 877043545 LYQQAHCBONAFGH-SFHVURJKSA-N 433.848 4.027 5 20 IIBD CCOc1cc(-c2nc(C3(NC(=O)OC(C)(C)C)CCCC3)no2)c([N+](=O)[O-])cc1OC 904419282 DCSCRJQJOAXFAV-UHFFFAOYSA-N 448.476 4.346 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@H](C)Cc3ccccc3Cl)cc2)c(C)c1[N+](=O)[O-] 915608740 WCJGUGSBYMDZET-CQSZACIVSA-N 426.904 4.471 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)OCC(=O)N[C@@H](c2ccccc2)C2CCCC2)cc1[N+](=O)[O-] 919228183 INWDPJVDGBCDOP-NRFANRHFSA-N 441.440 4.016 5 20 IIBD O=C(COC(=O)c1ccc(Oc2ccccc2)nc1)Nc1cc(Cl)ccc1[N+](=O)[O-] 919386227 IYNJPSQGPGIESW-UHFFFAOYSA-N 427.800 4.231 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H](C)c2ccc(F)cc2OC(F)F)cc1[N+](=O)[O-] 1253942465 PUPXDOCYNRUWGG-NSHDSACASA-N 444.431 4.455 5 20 IIBD O=[N+]([O-])c1cccc(-n2cc(-c3nnc(-c4ccc(Br)cc4Cl)o3)nn2)c1 1322371107 ZKWKELAZLFPNRF-UHFFFAOYSA-N 447.636 4.308 5 20 IIBD CCc1ccc(-c2nnc([C@@H]3CCCCN3S(=O)(=O)c3ccc([N+](=O)[O-])cc3)o2)cc1 1326495798 CMFSDNYSNUCWGP-IBGZPJMESA-N 442.497 4.123 5 20 IIBD Cc1cc(C(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)c(C)n1Cc1ccco1 1342559822 MVMBCDVORPFCGR-UHFFFAOYSA-N 438.484 4.123 5 20 IIBD Cc1cccnc1C(=O)Nc1ccc(C2(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)CCC2)cc1 1786499745 HHWXEVPUJUQWMR-UHFFFAOYSA-N 446.463 4.065 5 20 IIBD Cc1ccnc(C(=O)NC2(c3ccc(NC(=O)c4cccc(F)c4[N+](=O)[O-])cc3)CCC2)c1 1790699132 XNLZNXLOAFPCKK-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD CCCCC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1c1cccnc1 1812692402 DDYADTUKZBVXLC-YRISNDGFSA-N 442.516 4.119 5 20 IIBD CCC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3cccc([N+](=O)[O-])c3)[nH]n2)CCC1 1818946136 XTMUFYGOMGLDBQ-IBGZPJMESA-N 439.516 4.133 5 20 IIBD CCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)[nH]n1 1821935533 XUMOCTKGMRJYBS-LJQANCHMSA-N 441.532 4.379 5 20 IIBD O=C(c1cccc2c1CCCC2)N1CC2(CCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 1847062121 ZOVYOLWVCNIZKZ-BUHFOSPRSA-N 445.519 4.004 5 20 IIBD O=C(CSc1nnc(NCCc2ccccc2)s1)Nc1ccc(Cl)c([N+](=O)[O-])c1 10772934 NRHSUHVHLYTVTI-UHFFFAOYSA-N 449.945 4.485 5 20 IIBD COc1cc(CCNC(=O)c2oc3ccccc3c2COC(C)C)c([N+](=O)[O-])cc1OC 11080792 OMCCKXWLQYIKNX-UHFFFAOYSA-N 442.468 4.256 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 22496244 VXRQXGABVPRLFV-YFKPBYRVSA-N 438.692 4.128 5 20 IIBD CCOc1cc(-c2nnc(Sc3ccc([N+](=O)[O-])cn3)o2)cc(OCC)c1OCC 23611341 ZZRPJAGQRQIKET-UHFFFAOYSA-N 432.458 4.387 5 20 IIBD C[C@H](OC(=O)c1ccc(COc2ccc(F)cc2)o1)C(=O)Nc1cccc([N+](=O)[O-])c1 24462963 PGQZADOTCWCXLH-ZDUSSCGKSA-N 428.372 4.090 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 26119323 QHYWNWBYYWWQLC-MRXNPFEDSA-N 439.449 4.092 5 20 IIBD CCOc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C)cc2Cl)c([N+](=O)[O-])cc1OC 27008750 ZAGVCBMALZDCKA-LBPRGKRZSA-N 436.848 4.148 5 20 IIBD O=C(OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1SCc1ccco1 28377667 OVMVTTUJDHEAOE-UHFFFAOYSA-N 438.461 4.226 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 28856216 YLLHGXRUTBKMAF-ZETCQYMHSA-N 432.647 4.321 5 20 IIBD CCOc1cc(C(=O)Nc2ncc(Cc3cccc(F)c3)s2)c([N+](=O)[O-])cc1OC 31992811 BGPRAKKFFPXSAG-UHFFFAOYSA-N 431.445 4.441 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 33180529 UVCAHBSUFZNAJA-LLVKDONJSA-N 442.697 4.006 5 20 IIBD CN(Cc1ccccc1N1CCCC1)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 59037420 MIQIJQFVXDYUNT-UHFFFAOYSA-N 437.418 4.408 5 20 IIBD Cc1cc(I)ccc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 68734992 SEFGYIMBYJGIAJ-UHFFFAOYSA-N 437.237 4.334 5 20 IIBD COc1ccc(C[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)c2ccc(OC)cc2)cc1 71885375 KLUCXGWCSVLBFP-JOCHJYFZSA-N 446.463 4.202 5 20 IIBD Cc1csc(Sc2ccc(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)cc2)n1 108023002 VQVNWQYPJBUJNR-UHFFFAOYSA-N 438.494 4.344 5 20 IIBD COc1cc(CNCCc2nc3c(s2)CCCC3)c([N+](=O)[O-])cc1OCC(F)(F)F 237418102 NTHIMBVSARQJOL-UHFFFAOYSA-N 445.463 4.212 5 20 IIBD COc1cc(CNc2ccc(CCn3cc(Br)cn3)cc2)c([N+](=O)[O-])cc1O 237467066 GVARCXRZHUKVMC-UHFFFAOYSA-N 447.289 4.123 5 20 IIBD O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 261407771 BPBAFUMTACNFPC-UHFFFAOYSA-N 441.856 4.352 5 20 IIBD CN(C(=O)c1ccncc1)c1ccc(CNc2ncc(Br)cc2[N+](=O)[O-])cc1 301690839 NPMSGXBKKSJIAK-UHFFFAOYSA-N 442.273 4.036 5 20 IIBD CCOC(=O)c1ccnc(N2CCc3sc(-c4csc(C)n4)cc3C2)c1[N+](=O)[O-] 301961207 RJGZVHZUDJIAJJ-UHFFFAOYSA-N 430.511 4.223 5 20 IIBD CC[C@]1(CO)CCCN(c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])C1 302451501 SFGQTULQNIYZOJ-QFIPXVFZSA-N 447.557 4.001 5 20 IIBD O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)CC1 303454186 JLQKIQJSBSEMKB-UHFFFAOYSA-N 439.855 4.237 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ccc(OCC(F)(F)F)c(Cl)c1 410394645 CVVXHDSFYKPVOS-UHFFFAOYSA-N 446.765 4.142 5 20 IIBD O=C(O)[C@@H](Cc1ccc(F)cc1)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 426747407 OZCAZTMJIGKJJN-LJQANCHMSA-N 428.391 4.451 5 20 IIBD O=C(O)[C@@H](NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1cccs1 426813796 ZSEYRUIJAGJULQ-NRFANRHFSA-N 434.477 4.425 5 20 IIBD CCc1ccc([C@H](c2cccnc2)N(CC)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 431913014 RSXBXAAGHLAYMU-HSZRJFAPSA-N 439.537 4.494 5 20 IIBD CCN([C@@H](c1cccnc1)c1ccc(F)cc1F)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 431913943 OQLWCPZQXLCYDW-NRFANRHFSA-N 447.463 4.377 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CCc2cc(Cl)cc(Cl)c2C1 434836496 ADNBLPWIVCPWKF-UHFFFAOYSA-N 432.263 4.414 5 20 IIBD O=C(Nc1ccccc1)C1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC1 435820929 ZLLSNUUCRIVSSA-UHFFFAOYSA-N 443.478 4.311 5 20 IIBD CCn1ccnc1[C@H]1CCCCN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 435990877 DOWXIULRSKYUGR-MRXNPFEDSA-N 439.438 4.386 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 436977643 GCNPPRBGSJCFCR-CYBMUJFWSA-N 428.832 4.024 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCN(C)c3cc(F)ccc32)cc1[N+](=O)[O-])c1ccccn1 437113648 FIAWUGQTZWHINE-OAHLLOKOSA-N 435.459 4.399 5 20 IIBD O=C(CNc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 438916488 BQHLGFCFLXBNSF-UHFFFAOYSA-N 444.900 4.290 5 20 IIBD CCOc1cc(NC(=O)Cc2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])cc1OCC 439853294 HEPHPTQXYZQIKO-UHFFFAOYSA-N 428.363 4.472 5 20 IIBD O=C(Nc1ccccc1)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1Cl 442333088 ZWHDYQXTVHNFLX-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD Cc1nnc(-c2cccc(NC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)c2)n1C 444248312 HOYPUXGTLZMSED-UHFFFAOYSA-N 445.429 4.316 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C 444471342 GBBSGVURZKYWRP-INIZCTEOSA-N 445.541 4.335 5 20 IIBD COc1ccc(NC(=O)Cc2noc(C(C)(C)c3ccc([N+](=O)[O-])cc3)n2)cc1Cl 445381671 ZVUPVFKAALDMNX-UHFFFAOYSA-N 430.848 4.147 5 20 IIBD COc1ccc(Cc2noc(-c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)n2)c(F)c1 445570220 DYVQHSWMEFVJRW-UHFFFAOYSA-N 437.431 4.245 5 20 IIBD COc1cccc(O[C@@H](C)CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 460514529 DMOPXAPVHRFTQL-KRWDZBQOSA-N 427.501 4.037 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(COc2ccc(-c3nnc(N)o3)cc2)cc1OC 461045722 FWUXJLXGEMFXDR-CYBMUJFWSA-N 428.445 4.240 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCCO1 461842676 XYBAFVZZYDRFTM-VQTJNVASSA-N 429.521 4.022 5 20 IIBD C[C@@H](c1ccccc1)N1CC[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 462558737 VXXUZEBJQKMJJR-WFASDCNBSA-N 444.340 4.015 5 20 IIBD O=C(c1c[nH]cc1-c1ccc2c(c1)OCCO2)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464635662 JOECLPWAJJEUQR-UHFFFAOYSA-N 449.463 4.045 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 464718602 DJYMBAJQJJSKNJ-OAHLLOKOSA-N 447.438 4.250 5 20 IIBD CO[C@@H](CNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(C)(C)C 465199235 QUDRMDFJQOXMHL-NRFANRHFSA-N 436.512 4.167 5 20 IIBD CC[C@@H](c1ccccc1)c1nnc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])s1 471516977 VQXDQFXZYGMZHC-HNNXBMFYSA-N 432.527 4.406 5 20 IIBD Cc1cccc(C(=O)N[C@H](C)c2nc(-c3ccc(Br)cc3)no2)c1[N+](=O)[O-] 472674555 BIJSQSZXIUICFN-LLVKDONJSA-N 431.246 4.207 5 20 IIBD C[C@@H](NC(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1)c1cccc([N+](=O)[O-])c1 473947508 FSVLPZMLCXAEHP-CYBMUJFWSA-N 444.538 4.100 5 20 IIBD O=C(Nc1ccc(Br)cc1Br)c1n[nH]c2ccc([N+](=O)[O-])cc12 473969272 LBIIKJWRARCZRE-UHFFFAOYSA-N 440.051 4.248 5 20 IIBD COc1ccc(OC)c(CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C(C)(C)C)c1 474155891 DLHIZAOFXUHLFN-UHFFFAOYSA-N 426.473 4.463 5 20 IIBD O=C(Nc1ccccc1CN1CCNC1=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 476321835 NBAKWVPCKFISSN-UHFFFAOYSA-N 431.452 4.116 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)cc1SC 479582131 USPBUNMCYFQNSS-INIZCTEOSA-N 446.525 4.008 5 20 IIBD CCN(CC)C(=O)Nc1ccc([C@@H](C)NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc1 480698303 NLBOREQFCQNRGY-MRXNPFEDSA-N 448.545 4.125 5 20 IIBD CCO[C@@H]1C[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]1Oc1ccccc1 482489847 WBSOFUADSDCQRC-NJDAHSKKSA-N 425.510 4.433 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2sc(C(C)(C)C)cc2C(=O)OC)cc1OC 483048602 PORLZJKIUSGSJU-UHFFFAOYSA-N 436.486 4.400 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)Nc1cccc2cccnc12 486216563 OPJABRIMDUJGSA-UHFFFAOYSA-N 438.509 4.260 5 20 IIBD Cc1ccnc(-c2n[nH]c([C@@H](C)Nc3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])n2)c1 486480679 HNNOHZFDKSEAKP-OAHLLOKOSA-N 428.452 4.487 5 20 IIBD CC[C@@H](c1ccccc1)c1nnc(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)s1 488328988 JAXVENQMEREIEM-INIZCTEOSA-N 441.517 4.054 5 20 IIBD CC[C@H](c1ccccc1)c1nnc(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])o1 488870562 SPPWWXAQTPIGMT-OAHLLOKOSA-N 428.470 4.259 5 20 IIBD CCOc1ccc(C2(CNC(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)CCOCC2)cc1 489357215 BNIGNWJIUZOVDA-GOSISDBHSA-N 441.528 4.411 5 20 IIBD O=C(N[C@@H]1CCCc2c[nH]nc21)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 493837297 CRYRSZLBHLPVMW-LJQANCHMSA-N 425.876 4.391 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCN[C@@H](c4ccncc4)C3)cc2[N+](=O)[O-])cc1 505535314 BYINHNCPYIVNRT-HXUWFJFHSA-N 434.521 4.236 5 20 IIBD CCc1nc(C)c(NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)s1 506134275 GETWALKZFKALTC-UHFFFAOYSA-N 438.509 4.471 5 20 IIBD CCOC(=O)c1cnc(C)c(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c1 506529878 DTIXYNFSAKJEKG-GJZGRUSLSA-N 440.500 4.210 5 20 IIBD O=C(CC1CCCCC1)NCCNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 509096887 XMCJEJNBWFPWBV-UHFFFAOYSA-N 438.528 4.023 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](c1cccc2ccccc12)C(F)(F)F 511811104 UBTJEVKXZCPTJM-YJYMSZOUSA-N 445.397 4.286 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1 512516081 ZLTUDIWEUHMJRU-UHFFFAOYSA-N 444.535 4.155 5 20 IIBD COc1cc(CCNC(=O)N(Cc2cccc(Cl)c2)C(C)C)c([N+](=O)[O-])cc1OC 514027608 UMQWANAAIBYAIG-UHFFFAOYSA-N 435.908 4.428 5 20 IIBD O=C(Nc1nnc(C2CCOCC2)s1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 515396901 XDYUFGZLFMNXPL-UHFFFAOYSA-N 439.497 4.205 5 20 IIBD Cc1cc(C(=O)Nc2cc(NC(=O)CN3CCCC[C@@H]3C)ccc2F)cc([N+](=O)[O-])c1 518906196 FNWZYKLDHJTFLM-HNNXBMFYSA-N 428.464 4.108 5 20 IIBD CCOc1cc2c(cc1OCC)CN(c1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-])CC2 520031757 XVGITSHFMAKHGQ-UHFFFAOYSA-N 427.501 4.093 5 20 IIBD COc1cc(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)ccc1[N+](=O)[O-] 520271152 ZLARPTPBUGOYBP-UHFFFAOYSA-N 446.463 4.446 5 20 IIBD Cc1c(Cc2noc(-c3cnc(Sc4nccn4C)c(Cl)c3)n2)cccc1[N+](=O)[O-] 520298095 MIUONLQPKMLXBL-UHFFFAOYSA-N 442.888 4.477 5 20 IIBD C[C@H](Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C(=O)NC[C@H]1COc2ccccc2O1 522717303 TXZPVWMXSBMIDF-KKSFZXQISA-N 449.463 4.144 5 20 IIBD O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 523749229 RICMFQBFOXIVSC-YTTGMZPUSA-N 447.472 4.409 5 20 IIBD COc1ccc2cc([C@]3(C)NC(=O)N(Cc4ccc(Cl)cc4[N+](=O)[O-])C3=O)ccc2c1 523793327 YTOZBMUTRSWPKA-QFIPXVFZSA-N 439.855 4.377 5 20 IIBD O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccc2c(c1)nc(O)n2C1CCCC1 523835463 VCJJKYJPVMFLHS-UHFFFAOYSA-N 432.440 4.408 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCCN(Cc2ccccc2)c2ccccc21 525476832 FFUSFJAGNTYJBU-UHFFFAOYSA-N 441.484 4.340 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCc2cc(Br)cc(F)c2C1 526037869 SWKCTWJYPQOGHN-UHFFFAOYSA-N 427.657 4.277 5 20 IIBD Cc1ccc(S(=O)(=O)NC[C@H](NCc2ccc([N+](=O)[O-])cc2)c2ccccc2)c(C)c1 537158450 BRDRNPYSZVSLET-QFIPXVFZSA-N 439.537 4.021 5 20 IIBD O=[N+]([O-])c1cc(CN2CCN(CC3CCOCC3)CC2)ccc1Oc1ccc(F)cc1 537629340 TZAMCXPSNBOKIE-UHFFFAOYSA-N 429.492 4.070 5 20 IIBD C[C@H](NC(=O)Nc1cccc(NC(=O)CCN2CCCCC2)c1)c1ccccc1[N+](=O)[O-] 539301729 XJCBHTDTBPWXCY-KRWDZBQOSA-N 439.516 4.292 5 20 IIBD C[C@@H](C(=O)Nc1nccn1Cc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1F 541728165 XNAPYMJRTGUFQK-GFCCVEGCSA-N 447.264 4.483 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)C(=O)NCc1ccccc1 544434623 YZMYZHREPQNAIZ-INIZCTEOSA-N 441.553 4.312 5 20 IIBD Cc1ccc(CNC(=O)c2cccc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3F)c2)cc1 544623972 SFQUCNBKABKFFO-UHFFFAOYSA-N 436.443 4.294 5 20 IIBD Cc1ccc(-c2noc([C@@H]3CC(=O)N(c4cccc(Br)c4)C3)n2)cc1[N+](=O)[O-] 545577505 NMLXGJRJLUSDGH-CYBMUJFWSA-N 443.257 4.236 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](c1ccc(Cl)cc1)c1ccn(C)n1 546526076 KVGLQSARLGIRCK-CWTRNNRKSA-N 449.294 4.308 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3nc(-c4cc(OCC(F)F)ccn4)no3)cs2)cc1 546555671 GBXDBZVGQVOELP-UHFFFAOYSA-N 431.380 4.474 5 20 IIBD COc1cc(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)ccc1[N+](=O)[O-] 546813999 XKYQIILOHVPEKR-UHFFFAOYSA-N 435.274 4.050 5 20 IIBD COc1cc(Cc2noc(-c3cc(F)cc([N+](=O)[O-])c3)n2)ccc1OCC(F)(F)F 547053973 RMAOCWUJVMTFJO-UHFFFAOYSA-N 427.310 4.324 5 20 IIBD COc1ccc(CC(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)cc1[N+](=O)[O-] 547339064 NTIOTQMRRDEHLY-INIZCTEOSA-N 437.265 4.411 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCc2c(ncn2-c2ccccc2)C1 550395564 AVXWTASYNDOJKL-UHFFFAOYSA-N 441.285 4.050 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC2(CCN(Cc3ccccc3)CC2)C1 554409376 NXFWGBZWWJFMDW-UHFFFAOYSA-N 432.524 4.133 5 20 IIBD CN(Cc1ccc(OCC(F)(F)F)cc1)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 557698693 LLYCIZIFGRQXIF-UHFFFAOYSA-N 437.418 4.408 5 20 IIBD CCN(CCO)C(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2 558041522 OZAATWGNPCURJX-SDXDJHTJSA-N 431.492 4.474 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)c(Br)cc2F)cc1OC 564219010 OQMGTYFXOKDPSK-UHFFFAOYSA-N 427.226 4.464 5 20 IIBD CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C(=O)O)c1cccc(Br)c1 566840651 MDFNRBQZAMUMFI-CQSZACIVSA-N 442.653 4.300 5 20 IIBD COc1cc([N+](=O)[O-])ccc1-c1nc(-c2ccc(N3CCCN(C)CC3)c(Cl)c2)no1 589132378 OAWPCCUKUAUGKX-UHFFFAOYSA-N 443.891 4.116 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 590981237 WSNBMBFUKZQPSZ-UHFFFAOYSA-N 436.449 4.129 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2)c1 603479453 SNRFBLVSJMZPTM-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nc2ccc(OCC(F)(F)F)cc2s1 603879228 GVZSLNCGSBGAON-UHFFFAOYSA-N 427.360 4.163 5 20 IIBD COc1ccc(CNC(=O)c2c(C)nc(-c3ccc(F)cc3)nc2SC)cc1[N+](=O)[O-] 604018359 YSAKNSKWGPNANL-UHFFFAOYSA-N 442.472 4.160 5 20 IIBD C[C@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 604108579 TXRITMLQPVLMAH-AWEZNQCLSA-N 443.456 4.026 5 20 IIBD Cc1cc(CNC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)ccc1Oc1ccc(F)cc1 608806888 UFKSNPGGIIRWSJ-UHFFFAOYSA-N 426.448 4.354 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](c1ccccc1)c1cc2ccccc2o1 608875153 KHUOTXPXYQFZBK-QMHKHESXSA-N 443.459 4.365 5 20 IIBD COc1ccc(CNC(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)cc1[N+](=O)[O-] 608893067 NRQQIFOCPHKGDU-UHFFFAOYSA-N 438.459 4.092 5 20 IIBD Cc1nc(COc2ccc(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)cc2)no1 609377015 XGCBDNZIMGFNAL-UHFFFAOYSA-N 437.437 4.241 5 20 IIBD CC(C)c1cc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n(-c2ncccn2)n1 609408918 TVKKJKGGSSVAOS-UHFFFAOYSA-N 435.469 4.070 5 20 IIBD CC(C)CC(=O)Nc1cccc(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c1 609725086 CTPBYOWNUORVMF-UHFFFAOYSA-N 433.892 4.318 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cccc(N2C(=O)CCC2=O)c1 609755179 HIDRHYAVIWGRPJ-UHFFFAOYSA-N 431.404 4.293 5 20 IIBD C[C@H](Cc1ccccc1F)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 609966191 NUNGASKEIWXVCS-CQSZACIVSA-N 439.409 4.280 5 20 IIBD O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1F)c1cccc([N+](=O)[O-])c1 612207922 FPSJVHGMESSWHC-UHFFFAOYSA-N 435.436 4.408 5 20 IIBD CSc1cccc(C(=O)N[C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] 614423761 HHAXPOOXMSGXOU-YZGWKJHDSA-N 425.554 4.347 5 20 IIBD CCCn1c(SCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)nc2cc(Cl)ccc2c1=O 619733974 QFAVBRKVLWQAAV-UHFFFAOYSA-N 446.916 4.123 5 20 IIBD O=C(OCC(=O)N(Cc1ccccc1)c1ccccc1)c1cc(F)c(F)cc1[N+](=O)[O-] 725934309 BFVWHHWIAZVPGL-UHFFFAOYSA-N 426.375 4.263 5 20 IIBD O=C(OCc1nc(-c2cccc(Cl)c2)no1)c1cc([N+](=O)[O-])ccc1Br 725984369 HLGCKABSPGXIGQ-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD NC(=O)c1ccc(SCC(=O)O[C@H](c2ccccc2)c2cccc(F)c2)c([N+](=O)[O-])c1 726344136 GHSNQDCAYUOROZ-OAQYLSRUSA-N 440.452 4.258 5 20 IIBD CCn1nc(C)c(C(=O)O[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)c1C 727015155 IUMMTKQGRGVJQL-NRFANRHFSA-N 436.468 4.273 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccccc2C)cc1SC 728655587 CZNKXAFQROCPBX-UONOGXRCSA-N 432.498 4.056 5 20 IIBD C[C@@H](OC(=O)c1cc(F)c(F)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 728655756 FXNMQHJQWGFLAI-SSDOTTSWSA-N 436.264 4.215 5 20 IIBD O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccc(OCc2ccccc2)nc1 729195364 KABHGTHPJOEEFO-UHFFFAOYSA-N 448.479 4.037 5 20 IIBD C[C@@H](OC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1Br 731101478 CGAXKANPUVLJLD-SNVBAGLBSA-N 441.665 4.045 5 20 IIBD CN(C)C(=O)Sc1ccc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 731419266 OGSUZIFPKLCXMH-UHFFFAOYSA-N 425.470 4.021 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1nc(Cl)c(Cl)c(Cl)c1Cl 731587353 NMQGFONQUGNZFT-UHFFFAOYSA-N 425.055 4.412 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)ccc1OC1CCOCC1 737734315 XGNVEEJRVCABHI-UHFFFAOYSA-N 429.429 4.238 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC[C@H](O)c1c(F)cccc1Cl 741290675 CRFGZVLVMVFKSH-HNNXBMFYSA-N 449.788 4.058 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])ccc1I)c1ccc2ccccc2n1 741931745 OGCCPBGFNIQSGZ-UHFFFAOYSA-N 433.205 4.024 5 20 IIBD CC(C)N(CCC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C(=O)OC(C)(C)C 742873989 ZHMUCDHNJZYLMZ-UHFFFAOYSA-N 435.521 4.000 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 743267125 JXOOJPMNKCHDSC-AWEZNQCLSA-N 435.502 4.290 5 20 IIBD O=C(NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 744075880 TXDYHOFIBBKATQ-NEPJUHHUSA-N 449.699 4.164 5 20 IIBD CCOC(=O)c1nc(-c2ccccc2)oc1COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 744602205 ZODUEPCWXVNLEE-UHFFFAOYSA-N 435.392 4.265 5 20 IIBD CCCC(=O)Nc1ccc(C(=O)COC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 747118737 IUDODKDQDRZBJB-UHFFFAOYSA-N 438.358 4.392 5 20 IIBD O=C(Nc1ccccc1CN1CCSCC1)c1ccc(Br)c([N+](=O)[O-])c1 747137536 XEAWOKKMMKHFTI-UHFFFAOYSA-N 436.331 4.158 5 20 IIBD O=Cc1ccc([N+](=O)[O-])c(OS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 748317327 DSHGDAMOBOPLCS-UHFFFAOYSA-N 443.277 4.213 5 20 IIBD CC(C)Nc1ncccc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 748452902 JIGHDSVHTGXRRI-LLVKDONJSA-N 440.378 4.013 5 20 IIBD C[C@H](OC(=O)c1cccc(Cl)c1[N+](=O)[O-])C(=O)Nc1cccc(Br)c1 750536143 WSPOXNAAKATBGM-VIFPVBQESA-N 427.638 4.195 5 20 IIBD CN(Cc1ccccc1)C(=O)c1ccccc1C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1 751632129 UJDNASFVLMDMEK-UHFFFAOYSA-N 445.431 4.365 5 20 IIBD C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 752321624 HUIBJRIHDNSWCJ-ZIAGYGMSSA-N 446.529 4.094 5 20 IIBD Cc1cc(Br)cc([N+](=O)[O-])c1OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 753834719 UPXLHTZSAVNKJX-UHFFFAOYSA-N 435.190 4.203 5 20 IIBD O=C(NCCOc1cccc(Cl)c1Cl)c1cccc([N+](=O)[O-])c1Br 758135671 RIYGSQKYBYDJSP-UHFFFAOYSA-N 434.073 4.473 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Oc2ccc(NC(=O)c3cccs3)cc2)c1 758422499 YMYFGYXKWMMDKZ-UHFFFAOYSA-N 432.479 4.293 5 20 IIBD COc1cc(-c2nc(COC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)cs2)ccc1O 758737523 NPFMQDPNENWJEB-UHFFFAOYSA-N 439.449 4.200 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Oc2ccc(-c3c(C)noc3C)cc2)ccc1[N+](=O)[O-] 759884055 WHQCDTWGVLXKHU-OAQYLSRUSA-N 449.463 4.385 5 20 IIBD O=C(O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1cnc(Cc2ccc(F)cc2)s1 759946072 UOIWKRKKYGPLAP-JKSUJKDBSA-N 430.461 4.318 5 20 IIBD O=C(O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1csc(Cc2ccccc2F)n1 759956947 ZEWOTOZCSZEJCQ-IRXDYDNUSA-N 430.461 4.318 5 20 IIBD O=C(COc1ccc(Br)cc1)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 760461945 NJLQHHWEHBPYJS-UHFFFAOYSA-N 433.214 4.135 5 20 IIBD C[C@@H](OC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C(=O)Nc1ccccc1Br 762902646 ANSKWDOSXWFEKG-SNVBAGLBSA-N 432.230 4.023 5 20 IIBD COC(=O)c1ccc(OC(=O)Cc2csc(-c3ccc(Cl)s3)n2)cc1[N+](=O)[O-] 763709607 YHKXYWOCDBCOQM-UHFFFAOYSA-N 438.870 4.368 5 20 IIBD CC1(CNC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])OCCO1 769023587 PAUOPOTWVITHGL-UHFFFAOYSA-N 442.415 4.258 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 770485524 SSZWRHNIHPAGMB-UHFFFAOYSA-N 444.423 4.279 5 20 IIBD C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)[C@H](c1ccccc1)N(C)C 771510755 SUWKUAMLVGOWER-APPDUMDISA-N 440.725 4.432 5 20 IIBD CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 771768044 NITAJBFYEBZMRO-GFCCVEGCSA-N 432.399 4.087 5 20 IIBD Cc1nc(C2CCCCC2)sc1C(=O)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 775123303 QYJOHUQVKVOEPH-UHFFFAOYSA-N 429.498 4.154 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nn1-c1ccccc1Cl 776437032 YQXCVPRNTBBMPM-LBPRGKRZSA-N 446.822 4.065 5 20 IIBD Cc1nn(-c2ccccc2)c2nc(C(=O)O[C@@H]3CCN(c4ccc([N+](=O)[O-])cc4)C3)ccc12 778786101 FYFLUZIXKNFWFD-HXUWFJFHSA-N 443.463 4.073 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)c1cnc2ncc(Br)cc2c1 781255222 WHZNEAHXIKMKJI-UHFFFAOYSA-N 446.257 4.445 5 20 IIBD C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)COC(=O)Cc1ccc([N+](=O)[O-])cc1Cl 785946426 FJVDUROTPWELBM-LBPRGKRZSA-N 425.268 4.207 5 20 IIBD CCOC(=O)N1[C@H](C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@@H]1c1ccc(C)o1 786143648 BIHHYVYZWZKXCD-CVEARBPZSA-N 443.412 4.043 5 20 IIBD O=C1CCCN1CC[C@@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c2ccccc21 790559760 YAUWPQKBEDTWEW-CQSZACIVSA-N 445.878 4.073 5 20 IIBD CCC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1 794596603 VGBVRJKEXSLUIX-UHFFFAOYSA-N 441.849 4.167 5 20 IIBD O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCCC[C@H]2c2nc3ccccc3o2)c1 795881400 ZJZHHIIPXWCPQE-AWEZNQCLSA-N 439.852 4.444 5 20 IIBD O=C(OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc2nc(-c3ccccc3)oc2c1 796046150 NYQOJWKHQWQDCJ-UHFFFAOYSA-N 443.415 4.149 5 20 IIBD C[C@@H](Nc1ccc(C(=O)OCc2cnnn2-c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 806033806 OQCOFBIOGBWROU-MRXNPFEDSA-N 444.451 4.101 5 20 IIBD COc1cc(Cc2noc(-c3cc([N+](=O)[O-])ccc3N3CCCCC3)n2)ccc1[N+](=O)[O-] 809434510 BZVHUWKLQCZQFJ-UHFFFAOYSA-N 439.428 4.143 5 20 IIBD CCc1cc(=N[C@H](C)c2ccc(N3CCCNC3=O)cc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 812487996 YVORTHZXOFOIMC-MRXNPFEDSA-N 446.511 4.129 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)O[C@@H](C)C(=O)NCC(F)(F)F)cc2[N+](=O)[O-])cc1 820879763 YWDWNTLMDZBMFI-LBPRGKRZSA-N 442.415 4.278 5 20 IIBD C[C@H](OC(=O)CSc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](C)c1cc2ccccc2o1 856203423 NCMMJTUUTNGWDE-KBPBESRZSA-N 428.466 4.242 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)OCc1csc(COc2ccc(Cl)cc2)n1 913030919 VBYBTGMFJGDVRZ-UHFFFAOYSA-N 434.857 4.406 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1nc(-c2ccccc2)n2c1CCCCC2 914915870 FCPILNKJSMBOTG-UHFFFAOYSA-N 449.463 4.408 5 20 IIBD O=C(Nc1cc(C2CC2)nn1-c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 915335513 HNZPIXQPUXLPAY-UHFFFAOYSA-N 432.484 4.012 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)OC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)n2)cc1F 915469562 LYXYYJXYBVGZKL-CYBMUJFWSA-N 437.387 4.196 5 20 IIBD Cc1cccc(NC(=O)[C@@H](OC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C(C)C)c1C 915511456 AJCWOXUDPGOUBJ-NRFANRHFSA-N 436.468 4.217 5 20 IIBD Cc1c(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1Cc1ccccc1 915534706 MIQUFYCYAIYYBQ-HNNXBMFYSA-N 433.424 4.116 5 20 IIBD COc1cccc(Oc2ccc(CNc3ccc([N+](=O)[O-])cc3C(=O)NC3CC3)cn2)c1 917082367 QNAITWWIOZQODR-UHFFFAOYSA-N 434.452 4.295 5 20 IIBD COc1cc(Br)c(COC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OC 917264152 HIGIUMPOWCURDT-UHFFFAOYSA-N 436.214 4.478 5 20 IIBD O=C(COC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)Nc1ccc(OC(F)F)c(Cl)c1 917330614 CFHOIISVHDNFNZ-UHFFFAOYSA-N 439.758 4.126 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc(C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 918906733 FWPJLOZPWGRZDV-UHFFFAOYSA-N 440.412 4.349 5 20 IIBD CCOc1ccc(C(=O)OCC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-] 918994315 LWZVEUTTYSEFDK-AWEZNQCLSA-N 426.425 4.116 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc(N(C)c3ccccc3)nc2)cccc1[N+](=O)[O-] 919214050 JBJVKJRWHVQXTP-MRXNPFEDSA-N 434.452 4.250 5 20 IIBD C[C@H](OC(=O)[C@H]1CCN(c2ccccc2Br)C1=O)c1ccccc1[N+](=O)[O-] 920268063 MRHUOFZQUAKZKL-JSGCOSHPSA-N 433.258 4.015 5 20 IIBD COC(=O)c1ccc(COC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 920543720 ACLSDHAXEWEGNM-HNNXBMFYSA-N 435.436 4.307 5 20 IIBD C[C@H](OC(=O)c1cc2c(nc1O)CCC(C)(C)C2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 1116342505 VNEVSIOUSKCWCI-NSHDSACASA-N 447.875 4.048 5 20 IIBD COc1cc(-c2nc([C@@H](NC(=O)OC(C)(C)C)c3ccccc3)no2)ccc1[N+](=O)[O-] 1251843183 PMELFVGOEFOENQ-KRWDZBQOSA-N 426.429 4.268 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](c1ccccc1)c1noc(COc2ccc([N+](=O)[O-])c(F)c2)n1 1318584694 IBNSMTIYNYQMQQ-SFHVURJKSA-N 444.419 4.310 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(Cc3ccc(C)cc3)CC2)cc1OC 1320136964 OXWCSGJVJLLBIU-UHFFFAOYSA-N 442.512 4.032 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cccc(COc2cccc(C=O)c2)c1 1326929930 KYFTUKKLKHEYAQ-UHFFFAOYSA-N 448.431 4.090 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)NC1(c2ccc(NC(=O)c3ccc(O)cc3)cc2)CCC1 1790303643 XRNNZUILPXJMJL-ZRDIBKRKSA-N 447.447 4.355 5 20 IIBD Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccn(C)c4)CCC3)cc2)cc1[N+](=O)[O-] 1790523853 HKCZAPKTRNZOFN-UHFFFAOYSA-N 446.507 4.232 5 20 IIBD CCOCC(=O)NC1(c2ccc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3C)cc2)CCC1 1790773773 HURVZYHZCRZUGH-UHFFFAOYSA-N 445.903 4.341 5 20 IIBD O=C(CC1CCCC1)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)[nH]n1 1816682240 GHPPNOUNALVMHJ-XSFOEPMVSA-N 441.488 4.197 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CC3CCCC3)CC2)ncc1[N+](=O)[O-] 1827828556 CUPPONHABADIAQ-NRFANRHFSA-N 442.560 4.112 5 20 IIBD O=C([C@@H]1C[C@H]1C1CC1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830617227 UKAAIPBWZFEWSI-ZVDOUQERSA-N 443.519 4.013 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 9021351 HANVTYCKSSSYFC-UHFFFAOYSA-N 435.845 4.142 5 20 IIBD C[C@H](Sc1nc(C2CC2)nn1-c1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 10201989 JBWDBCSUZNTXCA-LBPRGKRZSA-N 427.461 4.311 5 20 IIBD O=C(OCc1nnc(-c2ccc(Br)o2)o1)c1ccc(Cl)cc1[N+](=O)[O-] 10748522 ZQRISTYOYKMMDI-UHFFFAOYSA-N 428.582 4.011 5 20 IIBD O=C(COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1C(F)(F)F 10760473 VEXGNIHHGHYLHO-FPYGCLRLSA-N 428.750 4.462 5 20 IIBD CCc1ccc(NC(=O)[C@@H](C)OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 11276524 UZJYNJPSDKDHJJ-QGZVFWFLSA-N 428.488 4.288 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1[N+](=O)[O-] 15940587 ZYAGLCREXXOMJH-UHFFFAOYSA-N 446.492 4.113 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2cn3ccc(C)cc3n2)c2ccccc2)c([N+](=O)[O-])c1 17183462 NIQOFFAOVNZVOU-JOCHJYFZSA-N 444.447 4.396 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2cc(C)n(C3CCCCC3)c2C)c([N+](=O)[O-])c1 17941161 DCLNTTZDFBMQJP-UHFFFAOYSA-N 429.473 4.322 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1ccc2c(c1)OC1(CCCC1)O2 21467152 DTTNHNXPWMHAHB-UHFFFAOYSA-N 432.816 4.085 5 20 IIBD C[C@@H](OC(=O)c1occc1COc1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 21724044 SJBFECQNJIYDSR-CYBMUJFWSA-N 428.372 4.090 5 20 IIBD CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)OC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 22547242 MXOFBJLHLBBXBS-NSHDSACASA-N 430.800 4.381 5 20 IIBD C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 23919617 IWUDAISVHSIZRY-OAHLLOKOSA-N 442.566 4.202 5 20 IIBD COc1ccc(CNc2nnc(SCCC(=O)Nc3ccccc3[N+](=O)[O-])s2)cc1 26416759 JEDAFJIMOFTYSS-UHFFFAOYSA-N 445.526 4.188 5 20 IIBD O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 31205444 GKYQGCTXBHIDGQ-OAQYLSRUSA-N 439.903 4.001 5 20 IIBD O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)Nc1cc([N+](=O)[O-])ccc1Cl 36783748 MBNGDQWVVXUNQO-UHFFFAOYSA-N 429.889 4.437 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 64963338 ZXXCDSMWTGORAY-FQEVSTJZSA-N 427.476 4.156 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc([N+](=O)[O-])c1 105323621 RAJWFLUUOFBVPS-UHFFFAOYSA-N 426.425 4.455 5 20 IIBD O=C(Cc1c[nH]c2ccccc12)N1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 108008840 NDDYGXMGWLXBAG-UHFFFAOYSA-N 448.526 4.396 5 20 IIBD COc1ccc([C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C2CC2)cc1 217106942 KECXFDKSDFREOM-LJQANCHMSA-N 434.290 4.045 5 20 IIBD CN(Cc1cccc(Cl)c1Cl)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303550251 ZUSRRWNOSYNAQV-CYBMUJFWSA-N 442.324 4.226 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)c1ccccc1[N+](=O)[O-] 303677408 JDKRCSVJLBBQIK-RKVPGOIHSA-N 432.423 4.176 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CCN(C4CC4)c4ccccc43)cc2)c(C)c1[N+](=O)[O-] 426398605 ZFJFEDRVOFTBJV-UHFFFAOYSA-N 431.496 4.086 5 20 IIBD O=C(O)[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(Br)cc1 426805799 FSVJAFUNRXTMTR-MRXNPFEDSA-N 448.298 4.396 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(c3ncccc3Cl)CC2)c(C(F)(F)F)c1 428384699 XELCAYQFKORNNB-UHFFFAOYSA-N 449.838 4.230 5 20 IIBD Cc1ccc(NC(=O)C(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1[N+](=O)[O-] 429796997 RIBLCWNSQPTFBM-SFHVURJKSA-N 427.507 4.139 5 20 IIBD CC[C@@]1(O)CCN(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)C1 430062546 UFJDKVXXGJXECT-HXUWFJFHSA-N 437.855 4.236 5 20 IIBD CCc1noc(-c2ccc(C)c(NC(=O)c3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])c2)n1 430460627 WPZYGJGMGDXODP-UHFFFAOYSA-N 448.382 4.378 5 20 IIBD O=C(COc1c(Br)cccc1[N+](=O)[O-])Nc1ccccc1Br 431223143 ZJKCZFDHVAFCMJ-UHFFFAOYSA-N 430.052 4.137 5 20 IIBD Cc1noc(C)c1[C@H](C)CNc1nc(NC[C@H](C)c2c(C)noc2C)ccc1[N+](=O)[O-] 433774346 NXQWQPUHYNDBLD-NWDGAFQWSA-N 428.493 4.631 5 20 IIBD O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 436245998 IQNQVUZWKIKENS-MSOLQXFVSA-N 445.585 4.398 5 20 IIBD C[C@H](c1ccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1)N1CCOCC1 436425079 MIXJFKWATPUFIM-QGZVFWFLSA-N 427.504 4.327 5 20 IIBD O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 436962986 PBINKIZDVDTING-AWEZNQCLSA-N 428.832 4.024 5 20 IIBD C[C@H](NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])c1nnnn1-c1ccccc1 440606540 ASZZFOWXFRXPJK-HNNXBMFYSA-N 446.492 4.213 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cccc(CNC(=O)Nc2ccccc2)c1 443954988 FIXGJXSYKRXLSS-UHFFFAOYSA-N 441.465 4.112 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 444732757 WPDYHFABGGYAIY-KRWDZBQOSA-N 442.541 4.102 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1ccc(Br)s1 444764959 CSSNZLZVEPVVNA-JTQLQIEISA-N 428.308 4.107 5 20 IIBD Cc1nn(Cc2ccc(-c3nc(Cc4ccc(F)c(F)c4)no3)cc2)c(C)c1[N+](=O)[O-] 445446989 GMJNDKZOFOTHLN-UHFFFAOYSA-N 425.395 4.375 5 20 IIBD COc1cc(Cc2noc(Cc3nc(-c4ccccc4)oc3C)n2)c([N+](=O)[O-])c(OC)c1 445819658 RASGTVHFNIRLKK-UHFFFAOYSA-N 436.424 4.140 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnn1-c1ccc(Br)cn1 448539225 UFQKYFUGMTXHFP-LLVKDONJSA-N 448.302 4.057 5 20 IIBD C[C@@H](CCc1cccn1C)NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 460452518 SQNZOPUMDVUJOD-LBPRGKRZSA-N 436.299 4.177 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCOC1 461608507 YFAVBOKCQXWWCO-SFHVURJKSA-N 446.511 4.050 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(Nc2cccc(C(=O)OC)c2)CC1 462773985 IECPPEBVMBTRTL-GOSISDBHSA-N 439.512 4.053 5 20 IIBD CN(CC(=O)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1)c1ccccc1[N+](=O)[O-] 463539786 DUWVNRUROJVTPG-OAQYLSRUSA-N 437.475 4.314 5 20 IIBD COc1ccc(O[C@H](C)CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 464141955 NVHOKILMIHOSQL-QGZVFWFLSA-N 427.501 4.037 5 20 IIBD CCCN(CCc1cccs1)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 464180107 IPTLBDOQNVOOLY-UHFFFAOYSA-N 431.543 4.031 5 20 IIBD O=C1[C@@H](N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCCN1c1ccccc1Cl 464782741 ZTKCNJKBUMGOFC-NRFANRHFSA-N 429.904 4.287 5 20 IIBD CNC(=O)[C@H]1CCCCN1C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 466791584 PSIOGRDNSSEEGA-MRXNPFEDSA-N 433.917 4.140 5 20 IIBD Cc1sc(S(=O)(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cc1[N+](=O)[O-] 467050443 XNLJJKRVGJRVAD-VIFPVBQESA-N 441.478 4.008 5 20 IIBD COc1ccccc1[C@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccccn1 467218933 RTMOANCVBZYFQX-FQEVSTJZSA-N 426.860 4.241 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2CCC(OC(C)(C)C)CC2)c([N+](=O)[O-])c1 469042694 WYBOEFQGMWNNQZ-UHFFFAOYSA-N 440.496 4.396 5 20 IIBD CC(C)(C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1)c1ccc([N+](=O)[O-])cc1 470460603 QWAQRPHAFFWFQW-MRXNPFEDSA-N 432.318 4.030 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cccc(C(F)(F)F)c2C)ccc1[N+](=O)[O-] 471839092 NZQCVRITTXJCFS-GOSISDBHSA-N 435.402 4.474 5 20 IIBD CCO[C@H](C)c1nc(CN2CCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)cs1 473525080 YBKXDEWEXRIAIP-OAHLLOKOSA-N 427.530 4.019 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1cccc(NC(=O)NCc2ccncc2)c1 475636599 HQNYWLCRDOKPBZ-UHFFFAOYSA-N 448.483 4.250 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c(Cl)c1 476892501 AVUYMQBOCTWURV-MRXNPFEDSA-N 448.888 4.214 5 20 IIBD CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CC[C@@H](c2ccc(F)cc2)C1 478189018 WYYSPKONGJRHLV-QRWLVFNGSA-N 447.894 4.158 5 20 IIBD NC(=O)[C@H](Sc1ccc(Br)cc1[N+](=O)[O-])c1cccc(Br)c1 479212341 DZZZEAQYYKPFFP-CYBMUJFWSA-N 446.120 4.439 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[C@H](OCc2ccncc2)C1 479320120 NMXXULWXBRONIY-HNNXBMFYSA-N 429.274 4.096 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccccc1I 481668428 IDDRTFQBTJXBLD-UHFFFAOYSA-N 445.644 4.217 5 20 IIBD CCc1c(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cnn1C(CC)CC 482691882 LHMSLENFFGFMIR-NRFANRHFSA-N 441.532 4.267 5 20 IIBD O=C(Nc1cccnc1)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1 483848608 RRGZNSLEUQDPTC-UHFFFAOYSA-N 428.351 4.096 5 20 IIBD Cc1cc(C(=O)N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCC(C)C)CC2)c(C)o1 484136261 SYXIGTZTXXJTEE-UHFFFAOYSA-N 445.541 4.151 5 20 IIBD C[C@@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1cccc(NC(=O)c2ccccc2)c1 485219003 NLYRROIRZSZLSA-CQSZACIVSA-N 433.420 4.067 5 20 IIBD CC1CCN(c2ccc(C(=O)NCc3cc(COC(C)(C)C)on3)cc2[N+](=O)[O-])CC1 485528292 FORXBSWOPMJQHY-UHFFFAOYSA-N 430.505 4.064 5 20 IIBD Cc1ccc(NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1Cl 486243740 IVIFNBLNPBWSHB-UHFFFAOYSA-N 437.283 4.200 5 20 IIBD O=C1CSc2ccc(NC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])cc2N1 486355493 TZWPUQOEYBIJLF-UHFFFAOYSA-N 435.461 4.470 5 20 IIBD CSc1cccc(C(=O)Nc2ccc(F)cc2I)c1[N+](=O)[O-] 486437410 VNLZQMOJQVHPAO-UHFFFAOYSA-N 432.214 4.313 5 20 IIBD O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 487629778 SGLNWFQENPTTPP-UHFFFAOYSA-N 442.686 4.153 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCC[C@@H](c2nnc3n2CCC3)C1 488941880 KMBODXILPWDFPS-MRXNPFEDSA-N 449.536 4.304 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N[C@H]1CCOC2(CCC2)C1 489209126 UUQKSVATGCLQJD-FQEVSTJZSA-N 446.507 4.208 5 20 IIBD CCOc1ccc(NC(=O)CN2CCC[C@H](c3nc4c(s3)CCCC4)C2)c([N+](=O)[O-])c1 490043421 QDRKVAUSNFWNQM-HNNXBMFYSA-N 444.557 4.147 5 20 IIBD COc1cc(C(=O)N2CCN(Cc3ccccc3)c3ccccc32)cc([N+](=O)[O-])c1OC 490906703 JDWFYLOFOMDQOP-UHFFFAOYSA-N 433.464 4.279 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1nnc(-c2ccco2)s1 491331925 IBDLLUGZWGJGGD-UHFFFAOYSA-N 427.364 4.166 5 20 IIBD COc1c(S(=O)(=O)N(C)[C@H](C)c2ccccc2)cc(Br)c(C)c1[N+](=O)[O-] 491592597 XCZGRPUNISHVAE-GFCCVEGCSA-N 443.319 4.056 5 20 IIBD CC(C)CCSc1ccc(C(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1[N+](=O)[O-] 491881997 SFFWQNYEWXSTRC-TZIWHRDSSA-N 449.617 4.231 5 20 IIBD COc1cc(Cl)c(S(=O)(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl 497985790 XYRLOHJJSZECCZ-MRXNPFEDSA-N 449.337 4.347 5 20 IIBD Cc1cc(-c2csc(NC(=O)C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)n2)c(C)o1 498977227 TYTKAEKHISLUNH-GFCCVEGCSA-N 428.470 4.052 5 20 IIBD COc1cccc(-c2nc(C[S@](=O)Cc3cc([N+](=O)[O-])cc4c3OCOC4)cs2)c1 501474321 JAGKITWWYJTNLE-SSEXGKCCSA-N 446.506 4.042 5 20 IIBD CCOc1cc(C(=O)N(C)c2ccc(Br)cc2F)c([N+](=O)[O-])cc1OC 501551318 RZLFBKYXPPJIPG-UHFFFAOYSA-N 427.226 4.180 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C 502146662 HMGKNAAGIZHIAB-IBGZPJMESA-N 438.450 4.100 5 20 IIBD O=[N+]([O-])c1ccc(CCS(=O)(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc1 503488356 MVRIYCJWLKPGMD-UHFFFAOYSA-N 443.506 4.127 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(C(=O)Nc2cccc(F)c2)CC1 507317499 KQENYXMQMUVSNL-ZDUSSCGKSA-N 448.882 4.065 5 20 IIBD O=C(NCC1(C(F)(F)F)CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 507877247 RWELWWBQXWPQAK-UHFFFAOYSA-N 445.444 4.205 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc2ccccc12 515917216 WBHSLVQLLCJCFV-LBPRGKRZSA-N 429.379 4.165 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@H](CCC(=O)O)C2)cc1 516170424 QVLJMIKLYFYNCK-OAHLLOKOSA-N 428.441 4.113 5 20 IIBD O=C(Nc1cc(N2CCCS2(=O)=O)ccc1F)c1cc2ccccc2c2cccnc12 516528560 QYCIFNMJDCBQOO-UHFFFAOYSA-N 435.480 4.319 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cc2nnc3ccccn23)cc1 518896117 RSIUVLOIKJHVGZ-OAHLLOKOSA-N 433.493 4.348 5 20 IIBD COc1cc(C(=O)N2C[C@@H](C)Oc3ccccc32)c([N+](=O)[O-])cc1OCc1cscn1 520337368 RIZCPLROFIAFPB-CYBMUJFWSA-N 441.465 4.067 5 20 IIBD CC[C@@H](C)NC(=O)c1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c(C)c1 520553313 ZLFVTOXFDGDVLP-QGZVFWFLSA-N 438.528 4.287 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCCc1ccc(Br)cc1Cl 521101103 ANVQYVJLWMLKRN-UHFFFAOYSA-N 436.693 4.393 5 20 IIBD COc1cccc(CN(C[C@H]2CCCO2)C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 521331001 OXYSTNTUHOLOFT-OXQOHEQNSA-N 430.526 4.292 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc(Oc2ccc(Br)cc2)nc1 522239420 HQEIUZRIIFNBGF-UHFFFAOYSA-N 428.242 4.475 5 20 IIBD COc1cc(C(=O)N(C)C[C@H]2CCCN(C)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 522383703 LDEAJUHJJNVAAC-HNNXBMFYSA-N 447.919 4.463 5 20 IIBD COCCCn1ccc(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)n1 522540754 DVGMMVZHZAHVGN-UHFFFAOYSA-N 443.891 4.346 5 20 IIBD CC[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)Cc1cccc(Br)c1 522886267 JAOPYOVJRAZVEJ-CYBMUJFWSA-N 449.301 4.127 5 20 IIBD C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1cc2c(cc1Br)OCCO2 522893987 CJEMCDLGMWAAHS-VIFPVBQESA-N 441.665 4.273 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 523732290 ZEVFRNRNDNSRCS-FLESLCNUSA-N 431.297 4.186 5 20 IIBD COc1cc(C(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)c([N+](=O)[O-])cc1OC 524544776 DMYLLVCZFCSVRF-HKBQPEDESA-N 440.477 4.172 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 524993934 HJGCPKGQXURRQL-UHFFFAOYSA-N 436.512 4.338 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC([C@@H](O)C(F)(F)F)CC1 531710618 HSEWNGRQJQNXIB-OAHLLOKOSA-N 434.212 4.045 5 20 IIBD CCc1ccc([C@@]2(CC)NC(=O)N(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2=O)cc1 534030860 UVKQMMAYNVHLSH-HSZRJFAPSA-N 434.452 4.170 5 20 IIBD O=C(Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 534053255 WYTHSBWZMAUFPF-UHFFFAOYSA-N 445.357 4.472 5 20 IIBD COc1cc(C(=O)Nc2cn(CC(C)C)nc2C(F)F)c([N+](=O)[O-])cc1OC(F)F 534194105 OHMHJGSBYCPZMU-UHFFFAOYSA-N 434.346 4.247 5 20 IIBD C[C@@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1ccc(NC(=O)c2ccncc2)cc1 534247250 XEIITBJCKPNKDN-CQSZACIVSA-N 429.436 4.214 5 20 IIBD CCOc1ccc(CN(CCCn2ccnc2)C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cc1 536515268 ZPFNSTCPXTXRKP-UHFFFAOYSA-N 447.495 4.404 5 20 IIBD CCCCOc1ccc([C@@H](C)NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1OC 537070115 RCIJCDMTNZDHAE-MRXNPFEDSA-N 427.501 4.022 5 20 IIBD COCC(=O)Nc1cccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1 538310452 JEEQERIYSQEXCB-UHFFFAOYSA-N 429.860 4.383 5 20 IIBD Cc1c(NC(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)s2)cccc1[N+](=O)[O-] 541427093 QWKKAYAZMRVJCH-CYBMUJFWSA-N 438.303 4.029 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(Cl)c(N2CCNC2=O)c1 542927144 GMDIXODFXCYQOF-UHFFFAOYSA-N 428.754 4.049 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCCC[C@@H]2CNC(=O)Nc2ccccc2)cc1[N+](=O)[O-] 543932099 UOTBWAKQDBEZPL-FXAWDEMLSA-N 439.516 4.350 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(Cc3cc(F)cc(F)c3)no2)c(I)c1 544944797 MXKUKXMSGYQCLI-UHFFFAOYSA-N 443.147 4.118 5 20 IIBD CCC[C@H](NC(=O)c1ccccc1)c1noc(-c2ccn(-c3ccccc3[N+](=O)[O-])n2)n1 545780057 DRKUTCYFNMRHAV-INIZCTEOSA-N 432.440 4.102 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(-c4ncn(C)n4)cc3)cc2[N+](=O)[O-])C1 547259400 HVGLGTNUPYLYCT-HZPDHXFCSA-N 434.500 4.125 5 20 IIBD C[C@]1(CO)CCCN1C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 548690071 XGHCMPXSFJFMEX-HXUWFJFHSA-N 437.855 4.236 5 20 IIBD CN(Cc1c(F)cccc1Cl)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 550036538 IPTBFBHYRWEXPM-AWEZNQCLSA-N 445.882 4.319 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](NCc1cnc2n1CCCC2)c1ccccc1 551372790 HKGGOISNPZKROR-NRFANRHFSA-N 439.903 4.251 5 20 IIBD O=[N+]([O-])c1cc2c(c(-c3nc(-c4ccc(OCc5cccnc5)cc4)no3)c1)OCCO2 551993237 HFXSEVAJYIQNEC-UHFFFAOYSA-N 432.392 4.057 5 20 IIBD Cc1ccsc1C(=O)Nc1ccc(OC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 559297251 DEVQDGMTDAKJIC-QGZVFWFLSA-N 428.466 4.036 5 20 IIBD CS(=O)(=O)c1cc(C(=O)N[C@@H](c2c(Cl)cccc2Cl)C2CC2)cc([N+](=O)[O-])c1 563847514 OLAWXLYRAKLKPS-QGZVFWFLSA-N 443.308 4.186 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)c1ccc(Oc2cccnc2)cc1 574936722 FCYZLOWAJGJJBL-QGZVFWFLSA-N 448.479 4.110 5 20 IIBD C[C@@H](CCc1ccccc1[N+](=O)[O-])NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 582681155 KDCIHIHTSFGHFT-ZDUSSCGKSA-N 430.448 4.128 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3nc4ccccc4cc3Cl)CC2)ccc1[N+](=O)[O-] 584322926 OZQPZSMUSNADKB-UHFFFAOYSA-N 440.887 4.158 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1cnc(SC2CCCC2)nc1 584550275 JKDDZRPPAOTGCT-GOSISDBHSA-N 428.558 4.347 5 20 IIBD O=C(c1sc2cccc(Cl)c2c1Cl)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 603571386 GGAOUXSWZXWBFA-UHFFFAOYSA-N 437.308 4.474 5 20 IIBD COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 603682783 XYOQGEZBMJVCDE-XMMPIXPASA-N 446.507 4.105 5 20 IIBD COc1cc(CNC(=O)COc2cc([N+](=O)[O-])ccc2C)ccc1OCc1ccccc1 603727333 QNDFSPQLIQLIKV-UHFFFAOYSA-N 436.464 4.186 5 20 IIBD O=C(NCc1nncn1C1CC1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 609519241 OFNVZDMVHJCKEF-UHFFFAOYSA-N 429.889 4.256 5 20 IIBD O=C1NCCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)[C@@H]1c1ccccc1 609772749 GUEIAHUTYYNRDY-OAQYLSRUSA-N 432.436 4.092 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCCN(C3CCCC3)CC2)cc1[N+](=O)[O-])c1ccccn1 609997409 OFCGDCRJFMFTBU-SFHVURJKSA-N 437.544 4.253 5 20 IIBD C[C@H]1CN(c2ccccc2NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 610093437 KDQRTRTVEBFGGL-HDICACEKSA-N 426.517 4.353 5 20 IIBD COc1ccc2c(c1)OCC[C@H]2NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 610234082 CUNUMCXQKNLRBN-FOIQADDNSA-N 448.479 4.425 5 20 IIBD C[S@@](=O)c1ccc(CNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 610861048 SYYKMDBHDCKWJG-GDLZYMKVSA-N 426.519 4.413 5 20 IIBD O=C(c1cc2ccc(F)cc2s1)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 614038838 DENRNLVAEMVWTJ-UHFFFAOYSA-N 439.472 4.177 5 20 IIBD C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCCN2C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 684858745 BATAHFLKKDLSFK-HAFLYIAKSA-N 432.564 4.333 5 20 IIBD Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 726543777 JPVCILYOVSMWLY-KRWDZBQOSA-N 442.947 4.413 5 20 IIBD Cc1nn(CCC(=O)O[C@@H](C)c2ccccc2NC(=O)c2ccccc2)c(C)c1[N+](=O)[O-] 726735786 PNUSRUDIRLXKAB-KRWDZBQOSA-N 436.468 4.355 5 20 IIBD CS(=O)(=O)c1ccc(Nc2cccc(CC[C@H](O)c3ccccc3)c2)c([N+](=O)[O-])c1 727757593 JXTCKANGCYKLRG-QFIPXVFZSA-N 426.494 4.408 5 20 IIBD COc1ccc(CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1OC1CCCC1 728497746 GWJYNNJWNFFUMJ-UHFFFAOYSA-N 443.456 4.380 5 20 IIBD COc1ccc([C@@H]2CCCCCN2C(=O)COC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 731527628 JIGSAJRZNOXLLD-FQEVSTJZSA-N 430.432 4.043 5 20 IIBD O=C1CSC(=O)N1Cc1cccc(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)c1 731840117 UWSQUMJDYSIJJA-UHFFFAOYSA-N 439.493 4.380 5 20 IIBD CSc1nc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)cc2s1 731957201 VIRZYOICKSIMCL-GFCCVEGCSA-N 448.551 4.231 5 20 IIBD CC(C)(C)OC(=O)NCc1cccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 732525921 UUYJHVRDPJNHCX-UHFFFAOYSA-N 441.893 4.074 5 20 IIBD CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Oc1cc([N+](=O)[O-])c(Cl)cc1C 735643953 KFMDTHIMWMCRSC-ORAYPTAESA-N 430.888 4.462 5 20 IIBD Cc1oc(-c2ccccc2F)nc1C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 738670916 IEMZWAJLKWGGES-CYBMUJFWSA-N 427.388 4.190 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)Nc1cc(Cl)ccc1F 740424112 ZKXAXZJKCONQOP-MRVPVSSYSA-N 445.628 4.334 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 742418656 TVBZLASJCOUADZ-QFBILLFUSA-N 446.548 4.326 5 20 IIBD COc1cc(/C=C(\C(=O)OCCOc2ccc([N+](=O)[O-])cc2)c2ccccc2)ccc1O 742881125 CXNQPICYQSYQMR-QNGOZBTKSA-N 435.432 4.472 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 743267126 JXOOJPMNKCHDSC-CQSZACIVSA-N 435.502 4.290 5 20 IIBD CCc1noc([C@@H](C)OC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 744565018 QFASUPDTSRRFMK-LLVKDONJSA-N 442.394 4.080 5 20 IIBD COC(=O)[C@@H](OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 744770281 RPPHXAMPGYULMH-HNNXBMFYSA-N 443.195 4.189 5 20 IIBD COC(=O)c1cc2cc(COC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)ccc2o1 744899821 WOMSGDMWDJAAKJ-UHFFFAOYSA-N 428.353 4.010 5 20 IIBD Cc1c(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[nH]c2c1C(=O)CC(C)(C)C2 746154995 ZGXLGHIFZQSBEX-LBPRGKRZSA-N 438.440 4.354 5 20 IIBD O=C(NOCc1cccnc1)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 747577154 CLABBZMSRLFNHW-UHFFFAOYSA-N 446.507 4.311 5 20 IIBD Cc1c(CC(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cccc1[N+](=O)[O-] 747747642 UUPNFXYFUCIILZ-UHFFFAOYSA-N 435.392 4.212 5 20 IIBD CCOc1ccc(NC(=O)CN2CCCCC[C@H]2C[C@@H](O)c2cccs2)c([N+](=O)[O-])c1 750838706 QMVQSISSUKNBNO-OXJNMPFZSA-N 447.557 4.362 5 20 IIBD CCCNC(=O)c1ccc(Cl)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Br 751092381 DWPRDCKSHICINO-UHFFFAOYSA-N 440.681 4.403 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 754095287 SIGXAAUDNMJJIC-CXAGYDPISA-N 448.394 4.360 5 20 IIBD CC(C)(C)O[C@H](C(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccccc1 754532902 GTFXFAKXZMONCU-FQEVSTJZSA-N 427.501 4.306 5 20 IIBD O=C(COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)Nc1ccccc1Cc1ccccc1 756765902 MLKWLKQJTYLJOI-UHFFFAOYSA-N 429.432 4.462 5 20 IIBD CCOc1cc(C(=O)NCC[C@H](O)c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])cc1OC 760700650 PKTNQVZRRRSGOC-INIZCTEOSA-N 443.283 4.162 5 20 IIBD C[C@H]1CCN(CCOc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3Br)cc2)C1 760840547 ZOKYIKLSMXGEHR-AWEZNQCLSA-N 448.317 4.330 5 20 IIBD C[C@@H]1C[C@H](C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCC1=O 761468507 PNBVUSKGAWNHSO-WAWZGNHOSA-N 444.871 4.477 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(Cc3ccc(OC(F)(F)F)cc3)no2)ccc1-n1ccnc1 761564800 ZPRIKVBFFLNWLO-UHFFFAOYSA-N 431.330 4.320 5 20 IIBD COC(=O)c1ccc(OC(=O)CCc2ncc(-c3ccccc3Cl)o2)cc1[N+](=O)[O-] 763698724 FFDGRTRZVMFEKW-UHFFFAOYSA-N 430.800 4.228 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)Nc1ccccc1[N+](=O)[O-] 763798466 ZWXDETJESVPDFO-UHFFFAOYSA-N 445.453 4.333 5 20 IIBD CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)O[C@H](C)c1ccccc1[N+](=O)[O-] 764588791 FJEVLTVQARWHKP-CXAGYDPISA-N 436.917 4.404 5 20 IIBD C[C@H](Nc1ccc(-c2nc(CNC(=O)OC(C)(C)C)no2)cc1[N+](=O)[O-])c1ccccn1 766908867 IGTBUMCDYHBRMQ-ZDUSSCGKSA-N 440.460 4.238 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc(Cl)nc2C(F)(F)F)cccc1[N+](=O)[O-] 769198495 XIEZARVCBVVFSI-VIFPVBQESA-N 431.754 4.154 5 20 IIBD Cc1ccc(C[C@H](NS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c2ccccn2)cc1 771754699 CMIVKVGDHLJHJI-IBGZPJMESA-N 429.473 4.008 5 20 IIBD C[C@](O)(c1ccc(OC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1)C(F)(F)F 772994798 CBTKKXKZULRIOU-HNNXBMFYSA-N 434.164 4.346 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 775086039 JUGMZSWJOUWPJF-UHFFFAOYSA-N 444.425 4.411 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[C@@](O)(c2ccc(F)cc2)C1 776815138 OYVXBAHLKTUMCB-IBGZPJMESA-N 432.249 4.143 5 20 IIBD CSc1cccc(C(=O)O[C@@H](C(=O)N[C@H]2CCOc3ccccc32)C(C)C)c1[N+](=O)[O-] 777074190 QNMMZFUHPZFAPD-OXJNMPFZSA-N 444.509 4.138 5 20 IIBD CSc1cccc(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1[N+](=O)[O-] 777092959 PEIFSJHEDMLHDB-UHFFFAOYSA-N 444.391 4.086 5 20 IIBD COc1cc(/C=C2\N=C(c3cc4ccccc4[nH]3)OC2=O)c([N+](=O)[O-])cc1OCC(F)F 778517913 MWYLFLXSHKYHNT-CHHVJCJISA-N 443.362 4.073 5 20 IIBD Cc1cc(C(=O)O[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3F)C2)c(C)n1CC(F)(F)F 778805720 HUJBXDMJIDRTIH-CQSZACIVSA-N 429.370 4.150 5 20 IIBD COc1cc(COC(=O)Cc2c(C)[nH]c3ccccc23)c([N+](=O)[O-])cc1OCC(F)F 780062822 WOQZMMARYDBEAK-UHFFFAOYSA-N 434.395 4.323 5 20 IIBD Cc1ccc(SCCNC(=O)COC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 781261828 YTYUDERZUKWGSX-UHFFFAOYSA-N 446.528 4.055 5 20 IIBD O=C(Nc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2Br)c1)c1ccncc1 782166690 JJJPOVVPWLZSMQ-UHFFFAOYSA-N 441.241 4.257 5 20 IIBD O=C(Nc1ccc(Cl)c(Cl)n1)c1ccc([N+](=O)[O-])cc1I 782849504 SHCNOFYEFLZFBE-UHFFFAOYSA-N 438.008 4.154 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)CCc2ccc3c(c2)CCO3)c(-c2cccs2)c1 784740911 KTENNXJBHGKKQP-UHFFFAOYSA-N 431.491 4.210 5 20 IIBD COc1ccccc1SC[C@@H](C)CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790555405 TXCYFVFTZIIVSZ-LBPRGKRZSA-N 426.897 4.483 5 20 IIBD O=C1CCCN1CC[C@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c2ccccc21 790559758 YAUWPQKBEDTWEW-AWEZNQCLSA-N 445.878 4.073 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC1(c2cccc(Br)c2)CC1 790769264 WXIKJTCHQZTLCU-UHFFFAOYSA-N 427.657 4.498 5 20 IIBD CN(Cc1ccc(OCC(F)(F)F)cc1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] 796011690 MWXIBEMDIRDOPU-UHFFFAOYSA-N 438.811 4.010 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 796014181 NQGQBLMSXYVAHE-ZDUSSCGKSA-N 432.395 4.321 5 20 IIBD Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)OCc1cc([N+](=O)[O-])ccc1Cl 797037228 YIIYRLPLEJGBFH-UHFFFAOYSA-N 439.859 4.132 5 20 IIBD C[C@@H](OC(=O)[C@H]1CCCC(F)(F)C1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 800283020 VRPUWEOPHHWAKC-YPMHNXCESA-N 439.440 4.414 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(I)c1)c1cc(C2CC2)cnc1Cl 801699710 FYYVNYQTLXDHHF-UHFFFAOYSA-N 443.628 4.378 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 801837568 YXNZQZCBNPJRMY-UHFFFAOYSA-N 428.807 4.474 5 20 IIBD CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 804230678 WWFBEHQXKCDPMV-HNNXBMFYSA-N 431.411 4.135 5 20 IIBD C[C@@H](Cc1cncc2ccccc12)C(=O)O[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 805682018 NUIDEYNDTDMATN-KBPBESRZSA-N 425.416 4.031 5 20 IIBD COc1ccc(-c2ocnc2C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 808645926 XNLUIBXVLUMVEU-GFCCVEGCSA-N 436.380 4.226 5 20 IIBD O=C(N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C1(c2cccnc2)CCCC1 808814376 SBOVWTFNFNCRSL-UHFFFAOYSA-N 430.302 4.149 5 20 IIBD CN([C@@]1(c2ccccc2)CCCCC1=O)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F 810078248 JYLPUNNJNLYYSE-LJQANCHMSA-N 440.880 4.046 5 20 IIBD CC(=O)Nc1ccc(NCc2cc(I)cc([N+](=O)[O-])c2)cc1C 810133572 MKGZMTXYYAQNAI-UHFFFAOYSA-N 425.226 4.078 5 20 IIBD C[C@H](Nc1ccc(C(=O)OCc2ccnc(-n3cccn3)c2)cc1[N+](=O)[O-])c1ccccn1 810869889 KBFRAVGPWWJACI-INIZCTEOSA-N 444.451 4.101 5 20 IIBD CC(C)[C@H](NC(=O)c1cccs1)C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811218995 OZYSQACHGWLYEZ-KRWDZBQOSA-N 445.522 4.278 5 20 IIBD C[C@@H](Cc1c(F)cccc1F)NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811373490 GFOGYTZOWDEOSK-VIFPVBQESA-N 447.221 4.084 5 20 IIBD C[C@H](C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(Br)c1 812608542 PAPGHLVPKMKSFB-NSHDSACASA-N 432.230 4.254 5 20 IIBD CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 813433729 BCJLBLIGBRPAPT-LBPRGKRZSA-N 432.304 4.373 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N[C@H](C)c2ccc(N3CCCOC3=O)cc2)cc1[N+](=O)[O-] 814308523 LWNVNBGMQMERPV-HZPDHXFCSA-N 426.473 4.371 5 20 IIBD C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 816819631 KNPBFTMSUFSYQY-APPDUMDISA-N 439.346 4.124 5 20 IIBD Cc1cc(C)cc([C@H](OC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C(F)(F)F)c1 818664400 XPMDCEVQXSXCLO-INIZCTEOSA-N 431.388 4.076 5 20 IIBD C[C@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccc(Cl)cc1 823304339 RZAZJXXTFGBLBT-HNNXBMFYSA-N 445.903 4.273 5 20 IIBD CSc1ccc(C(=O)OCc2nnc(C(=O)Nc3ccc(C)cc3)s2)cc1[N+](=O)[O-] 844262311 GVKBYQAWAMYIJJ-UHFFFAOYSA-N 444.494 4.086 5 20 IIBD C[C@@H](OC(=O)C1(c2ccccc2)CC1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 844993070 HHHHSEGIVRYSBQ-CQSZACIVSA-N 437.477 4.320 5 20 IIBD O=C(OCc1csc(Cc2ccc(Cl)cc2)n1)c1cc2c(cc1[N+](=O)[O-])OCO2 915231655 ZEINSSMQFIMKCO-UHFFFAOYSA-N 432.841 4.381 5 20 IIBD CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 917388148 YLAZWRSNBWIRBI-UHFFFAOYSA-N 441.491 4.444 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(CC(=O)N(C)c3ccccc3)cc2)cc1[N+](=O)[O-] 917781624 PVOMTKTUSUPKTB-UHFFFAOYSA-N 448.435 4.269 5 20 IIBD C[C@H](OC(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 919443380 OHGAKKILDRQDPE-QWRGUYRKSA-N 427.240 4.239 5 20 IIBD CC(C)COC(=O)Nc1cccc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 920233774 JDMPTJXKBFDSOO-UHFFFAOYSA-N 441.488 4.153 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC(=O)N[C@H](C)c1ccccc1Cl 920776986 FZZUTVJGHBYCIR-NEPJUHHUSA-N 441.267 4.090 5 20 IIBD COc1cccc(-c2noc([C@H](C)NCc3ccc([N+](=O)[O-])cc3Br)n2)c1 1324150516 JUCHXSBCQDVFBV-NSHDSACASA-N 433.262 4.267 5 20 IIBD CC(C)CC(=O)Nc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2N)cc1 1325248344 ZWCWBBGHLXEGIN-UHFFFAOYSA-N 435.278 4.176 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CNCCc2coc(-c3ccccc3)n2)c1 1327573520 DUXVUDRVWPWCFI-UHFFFAOYSA-N 449.248 4.187 5 20 IIBD Cn1cc([C@H](O)C[C@@H]2CCCN2Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cn1 1341603696 BLEFXNOPEVPWIY-OXJNMPFZSA-N 430.892 4.330 5 20 IIBD CC(=O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])CCC2)cc1 1786282689 UXYPDUUMJCWXQC-NTEUORMPSA-N 449.507 4.357 5 20 IIBD O=C(NC1(c2ccc(NC(=O)C(Cl)(Cl)Cl)cc2)CCC1)c1ccc([N+](=O)[O-])[nH]1 1791332951 QRBLMKBXRJHLJS-UHFFFAOYSA-N 445.690 4.041 5 20 IIBD CO/C=C(\C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])cc2)CCC1 1792317663 BXBJWCVABHXYMH-NZOAFPJWSA-N 435.480 4.292 5 20 IIBD O=C(C1CCCC1)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 1831290740 GINGIHALKXZFLN-QFIPXVFZSA-N 445.535 4.086 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2c(C)c(CC)nc3ccccc23)c([N+](=O)[O-])c1 10361220 KABKETGYMDNKBH-UHFFFAOYSA-N 437.452 4.208 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1C 16506276 GMVAOWMFWFECIK-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD C[C@H](OC(=O)c1ccc(F)cc1Br)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 17836919 MNCZJRPFFNUDMY-QMMMGPOBSA-N 445.628 4.334 5 20 IIBD C[C@H](OC(=O)c1cc(-c2ccccc2)[nH]n1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 18748564 YHPCUAFTGXEAIK-NSHDSACASA-N 448.357 4.188 5 20 IIBD C[C@H](OC(=O)/C=C/c1ccc2ccccc2n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 20974704 HJTLOWPEGDMEGW-YKWSONSWSA-N 425.828 4.380 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1NCc1nc2ccccc2s1 25280779 HHDFMLOWJVDXEW-UHFFFAOYSA-N 446.554 4.381 5 20 IIBD COc1ccc(NC(=O)CCSc2nnc(-c3cccc(Cl)c3)o2)c([N+](=O)[O-])c1 26408562 YBLIGINDOFPWTJ-UHFFFAOYSA-N 434.861 4.428 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1[N+](=O)[O-] 28605001 DYLBGEIXEPUPRQ-UHFFFAOYSA-N 443.915 4.089 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCc1ccccc1 30540567 YKHACBZPOBUYJW-UHFFFAOYSA-N 427.482 4.059 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 32524403 YSZGXTPKRCLKPB-UHFFFAOYSA-N 439.459 4.050 5 20 IIBD C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 36742262 SNPQEEPXCQZDJT-JTQLQIEISA-N 442.324 4.312 5 20 IIBD Cc1cc(C(=O)Nc2ccc(F)c(NS(=O)(=O)c3cccs3)c2)ccc1[N+](=O)[O-] 58379665 HTCQKGJCOPTWKH-UHFFFAOYSA-N 435.458 4.157 5 20 IIBD Cc1c(CS(=O)(=O)Cc2csc(COc3ccc(F)cc3)n2)cccc1[N+](=O)[O-] 61796361 VWUWEDZALWHZMQ-UHFFFAOYSA-N 436.486 4.193 5 20 IIBD CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nc2ccc(Br)cc2c1=O 216811346 VYENOXOUTBWRMB-UHFFFAOYSA-N 448.298 4.062 5 20 IIBD O=C1[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1c1ccc(Cl)cc1 237701652 SKEMCRAFKUKTSA-GOSISDBHSA-N 428.901 4.267 5 20 IIBD CS(=O)(=O)c1cccc(NCc2cccc(NC(=O)c3cccc(F)c3)c2)c1[N+](=O)[O-] 301869155 GXMIHXSMETUTCT-UHFFFAOYSA-N 443.456 4.002 5 20 IIBD C[C@@H](c1ccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1)N1CCOCC1 303571933 YTNXNCCYWDQPSI-HNNXBMFYSA-N 438.509 4.364 5 20 IIBD CSc1cccc(N(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)C2CCN(C)CC2)c1 430553031 SPXPPDNCZUDGJJ-UHFFFAOYSA-N 429.542 4.131 5 20 IIBD COC(=O)c1cccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1Cl 431177018 WJIIIATXGCGAME-UHFFFAOYSA-N 439.660 4.142 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3cnn(-c4ccccc4F)c3C)cc2)c(C)c1[N+](=O)[O-] 435378964 KTTFMRHMKAJTQV-UHFFFAOYSA-N 448.458 4.342 5 20 IIBD COc1c(Cl)cc(NC(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1Cl 437058181 WINKCFVAOXRCNO-UHFFFAOYSA-N 438.267 4.040 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@H]1c1ncc(-c2ccccc2)[nH]1 439205423 MZERAGPZZIJLRV-IBGZPJMESA-N 426.498 4.209 5 20 IIBD CC(C)c1ncc(CN(C)C(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cn1 441433302 YYWGYUOEIYAZEH-CALCHBBNSA-N 425.533 4.263 5 20 IIBD O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCN(Cc2cscn2)CC1 442246015 SPIDXJURNQWAST-UHFFFAOYSA-N 440.550 4.161 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 442299825 DAXQBJGZQRKOOQ-MRXNPFEDSA-N 448.266 4.080 5 20 IIBD O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444168327 NPCUCRFUPKQJBH-IBGZPJMESA-N 449.869 4.009 5 20 IIBD C[C@@H]1CN(CCC2CCN(C(=O)c3cccc4c(=O)c5ccccc5[nH]c34)CC2)C[C@@H](C)O1 444996581 BLOQFNLOERVAOT-RTBURBONSA-N 447.579 4.033 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N(Cc1c(F)cccc1F)C1CCCC1 446892326 KLZSFGZBCGHGGN-UHFFFAOYSA-N 429.427 4.404 5 20 IIBD Cc1cc(=O)c(C(=O)N(C)[C@H](c2ccc(F)cc2)C(C)C)nn1-c1ccccc1[N+](=O)[O-] 447857501 DKXWLRJQOIZCKV-QFIPXVFZSA-N 438.459 4.058 5 20 IIBD COc1cc(C(=O)Nc2nc3ccccc3n2-c2ccccc2F)cc([N+](=O)[O-])c1OC 460485934 AYPDBGPEOGSITR-UHFFFAOYSA-N 436.399 4.342 5 20 IIBD CC(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 460627245 GSFOXPFJRPQWKS-YLJYHZDGSA-N 443.454 4.100 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 461432363 UQSZVTKYBPCOEE-VQTJNVASSA-N 448.548 4.312 5 20 IIBD Cc1cccnc1-c1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1Cc1cccs1 461502143 HSYFDDGSQDNWNG-UHFFFAOYSA-N 432.509 4.229 5 20 IIBD CC(C)NC(=O)COc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 462661022 KZVVDQMPCKZDCZ-UHFFFAOYSA-N 426.256 4.057 5 20 IIBD COc1ccc2c(c1)CCC[C@@H]2CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 463536138 FRRRYVOZNYEIEX-CQSZACIVSA-N 438.402 4.394 5 20 IIBD C[C@@H](CNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Oc1ccc(F)cc1 463944886 POOYDPZNAXBOIJ-NSHDSACASA-N 432.395 4.429 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)Oc2ccc(Br)cc2)c1 464628584 OKNKTEMYYFKWFR-NSHDSACASA-N 425.304 4.277 5 20 IIBD C[C@H](NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1)c1cccc([N+](=O)[O-])c1 467831201 HGLJWUBCIRGJTR-SFHVURJKSA-N 435.503 4.306 5 20 IIBD CCCCOc1cc(OC)ccc1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 469949156 AVRYJDDZXUWWHE-UHFFFAOYSA-N 428.485 4.466 5 20 IIBD COC(=O)[C@H](NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1ccsc1 470124861 JQZDHUDORDMNSG-GOSISDBHSA-N 428.491 4.452 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(OC(F)(F)F)c(Br)c1 470701135 ZBDFHINUXYGDEC-UHFFFAOYSA-N 435.152 4.273 5 20 IIBD CSc1nc(C(C)C)nc(C)c1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 474980806 KTRYXPAAIHTDSJ-UHFFFAOYSA-N 430.530 4.222 5 20 IIBD O=C(NCc1ccc(CN2CCCC2=O)cc1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 475222137 AXEQGFLCKBJDGG-UHFFFAOYSA-N 436.390 4.058 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H](CO)c2ccccc2)cc1[N+](=O)[O-] 479138181 QLVCCJIRKJVUFV-IBGZPJMESA-N 436.489 4.011 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)cc1[N+](=O)[O-] 481859729 MBJJQKLHGOJTJL-UHFFFAOYSA-N 428.854 4.015 5 20 IIBD Cc1cc(CN(CC(C)C)C(=O)c2cc(F)cc([N+](=O)[O-])c2)nc(N2CCCCC2)n1 486016324 MIKAHHFJXCPENI-UHFFFAOYSA-N 429.496 4.121 5 20 IIBD COc1ccc(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1NC(C)=O 486525565 FXECQRALEBMTRF-UHFFFAOYSA-N 449.463 4.071 5 20 IIBD CCn1c(SCC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)nnc1-c1ccccc1C 487991076 VCBWOUUDSVGXBA-MRXNPFEDSA-N 439.541 4.460 5 20 IIBD COc1ccc(CCC(=O)N2CCCN([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)cc1 489231996 LKQQRHVQLNBITE-IBGZPJMESA-N 425.529 4.140 5 20 IIBD CCc1ccc(NC(=O)c2nnc(CN(Cc3cccc([N+](=O)[O-])c3)C3CC3)s2)cc1 490147166 XTFSFHQDCQAFNZ-UHFFFAOYSA-N 437.525 4.426 5 20 IIBD Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 490512507 FDMWJAFOMDGUTG-UHFFFAOYSA-N 433.877 4.005 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(N2CCOCC2)c1 490758133 JHAWDTLDHPSTBK-UHFFFAOYSA-N 429.542 4.254 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(OCC(C)C)c(Cl)c2)cc1[N+](=O)[O-] 493917336 QMIZWTGLTAUGIO-CQSZACIVSA-N 433.892 4.407 5 20 IIBD Cc1cc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc(C)c1Br 494857261 DYXWPDCUMDBFSG-UHFFFAOYSA-N 448.273 4.301 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc([C@H]2CN(Cc3ccccc3)CCO2)no1 500793767 NUZCDVZQHRKVOB-HNAYVOBHSA-N 426.498 4.405 5 20 IIBD CCOc1ccc([C@H]2CCCN2c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])cc1 501904309 PAWKEESVHWLEIX-HXUWFJFHSA-N 447.557 4.366 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCCc1nc(-c2ccncc2)cs1 503113901 IZUCYAZZXMVEKM-ZDUSSCGKSA-N 446.916 4.283 5 20 IIBD Cc1ccc(NC(=O)C(=O)N(Cc2ccccc2C(F)(F)F)CC2CC2)cc1[N+](=O)[O-] 506723188 DMUJXDACOMRONV-UHFFFAOYSA-N 435.402 4.299 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)c1sc(-c2ccccc2)nc1C 507309595 PIAVUOYDJLYZLT-ZDUSSCGKSA-N 433.511 4.075 5 20 IIBD O=C(NC[C@H]1CCCc2ccccc21)c1ccc([N+](=O)[O-])cc1I 511390641 JOLJSUMFJZMHSB-CYBMUJFWSA-N 436.249 4.049 5 20 IIBD CCOc1ccc(NC(=O)CNc2cc(F)c(Br)cc2F)c([N+](=O)[O-])c1 512338813 WRURCVXCUQNMLT-UHFFFAOYSA-N 430.205 4.085 5 20 IIBD C[C@H](Sc1nnc(-c2ccncc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 514292270 VRIVQFVZXLWFFO-VIFPVBQESA-N 439.375 4.178 5 20 IIBD COc1ccc(CNS(=O)(=O)c2ccc(Oc3cccc(C)c3)cc2)cc1[N+](=O)[O-] 515752074 PWHVIYFXXFMLSJ-UHFFFAOYSA-N 428.466 4.183 5 20 IIBD C[C@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 517836825 KLUBUXDBRZUQRJ-BBATYDOGSA-N 437.315 4.335 5 20 IIBD CN(Cc1ccccc1-c1ccccc1)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 518657525 NDFABDNMSRKICZ-UHFFFAOYSA-N 437.883 4.304 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC(CCc2cccc(C(F)(F)F)c2)CC1 521955325 SKNSQKWIICJYOX-UHFFFAOYSA-N 438.450 4.380 5 20 IIBD Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 522244436 ZOUAWZRZTBXLIY-QGZVFWFLSA-N 433.464 4.298 5 20 IIBD COc1cc(CN[C@H](CO)c2cccc(F)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 522535524 PRANYXFNIZSEMX-OAQYLSRUSA-N 426.444 4.145 5 20 IIBD CC(C)c1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)nn1-c1cccc(F)c1 524229873 CGQFMTMIOQJFEI-UHFFFAOYSA-N 435.362 4.292 5 20 IIBD CCOC(=O)c1cnc2nc(C)ccc2c1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 525707612 ADHZDXUADFCGPF-UHFFFAOYSA-N 436.468 4.071 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1ccccc1Oc1cccc(F)c1 531293083 RBSYTSNNNMGCCV-SFHVURJKSA-N 441.463 4.075 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N(c1cc2c(cc1Cl)OCO2)C1CCCCC1 534803223 YKXUKCBUAYWLGT-UHFFFAOYSA-N 434.880 4.238 5 20 IIBD COc1cc(CN[C@H]2CN(C)Cc3ccccc32)ccc1OCc1ccc([N+](=O)[O-])cc1 535264039 CGCNMDZGWZBXRS-QHCPKHFHSA-N 433.508 4.459 5 20 IIBD Cc1ccc(Cn2cccc(NC(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])c2=O)cc1 538387705 SIDCCJUNSRVENL-UHFFFAOYSA-N 440.459 4.428 5 20 IIBD COc1ccc(NC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)cc1[N+](=O)[O-] 542072998 KTFNLTMMZUQFEX-UHFFFAOYSA-N 432.502 4.368 5 20 IIBD COc1cccc(OC)c1OCc1noc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 547192039 QNYHGVXHQXRBSY-UHFFFAOYSA-N 440.437 4.365 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(Cc1ccncc1)Cc1cccnc1 550299598 LDXBJSNVNFTTFB-UHFFFAOYSA-N 441.285 4.298 5 20 IIBD Cc1ccccc1Nc1nc(CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)cs1 551764014 CQQPIANLMAXBFN-OAQYLSRUSA-N 437.481 4.071 5 20 IIBD CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(Cn2c([N+](=O)[O-])cnc2C)cs1 557749745 IBWCORNLYZPIMF-UHFFFAOYSA-N 425.392 4.308 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CCOc3ccc(Br)cc3C2)cc1[N+](=O)[O-] 558770066 IMQVABGAFVJKAH-CYBMUJFWSA-N 434.290 4.331 5 20 IIBD O=[N+]([O-])c1cc(I)cc(COc2ccc(-c3nncs3)cc2)c1 564398090 ZIWZFZIPWFTZDX-UHFFFAOYSA-N 439.234 4.297 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cccc(NC(=O)Nc2cccc3c2CCCC3)c1 566390397 RVNTUAZXBDYQDO-UHFFFAOYSA-N 448.483 4.261 5 20 IIBD Cc1cnn([C@H]2CCN(Cc3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)C2)c1 566827717 AYACDLNTWMONLT-QHCPKHFHSA-N 428.496 4.399 5 20 IIBD COc1ccc(C[C@@H]2CCCN(C(=O)c3cc(SC)c(OC)cc3[N+](=O)[O-])C2)cc1 569163886 PEFFKKRXFAXUBS-INIZCTEOSA-N 430.526 4.429 5 20 IIBD CO[C@@H](c1ccc(F)cc1)c1noc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 574365006 SBIXOTFMNMOUQT-OALUTQOASA-N 440.431 4.138 5 20 IIBD O=C(Nc1c(-c2cccs2)nc2ccccn12)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 581899300 KVMZIYAXUFLEKI-UHFFFAOYSA-N 430.449 4.409 5 20 IIBD COCCOc1c(Cl)cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1Cl 581907501 QZCNDGXNSHPWQN-UHFFFAOYSA-N 435.285 4.036 5 20 IIBD CC[C@H](c1cccc(OC)c1)N(C)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 588901562 JHDVDIVBLUMHGT-OAHLLOKOSA-N 443.319 4.138 5 20 IIBD O=[N+]([O-])c1cc2c(O)ncnc2cc1NCCc1c[nH]c2cccc(Br)c12 589602600 IAYSTQDBMBTDTR-UHFFFAOYSA-N 428.246 4.142 5 20 IIBD CN1CCC(N(C[C@H]2C[C@H]3C=C[C@H]2C3)C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 589623320 XBAJXESGKBBRRT-YQQAZPJKSA-N 437.462 4.362 5 20 IIBD Cc1c(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)nnn1-c1cccc([N+](=O)[O-])c1 591721790 NBJOOGUQTWTIMO-KRWDZBQOSA-N 434.481 4.071 5 20 IIBD CCNc1ccc(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2F)cc1[N+](=O)[O-] 603156500 VXWNAEHNYXRGEE-UHFFFAOYSA-N 438.463 4.403 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@H](c3ccsc3)N(C)C)cc2[N+](=O)[O-])C1 603872866 ZPGZVZHDBKEIMX-WHSLLNHNSA-N 430.574 4.171 5 20 IIBD CCOC(=O)c1cc(C(=O)N2CCCC[C@H]2c2nc3ccccc3n2C)cc([N+](=O)[O-])c1 603940062 RCRMDDMSHKCNDX-FQEVSTJZSA-N 436.468 4.026 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NC[C@@H](C)CN2CCCC2)cc1[N+](=O)[O-] 603970844 KJKRWAWHGIMDMG-MRXNPFEDSA-N 441.553 4.009 5 20 IIBD O=C(Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 603983415 KZRPVUWYTWHDRC-UHFFFAOYSA-N 434.383 4.301 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N[C@H](c2ccc(F)cc2)c2ccccc2Cl)ccc1O 604038070 CGAMPFAWQTWERO-LJQANCHMSA-N 436.848 4.161 5 20 IIBD C[C@@H](NC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1cccc([N+](=O)[O-])c1 604126933 WABUJUHPVNMOCP-OAHLLOKOSA-N 436.434 4.202 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N[C@H](C)C(=O)NCc3ccccc3)c([N+](=O)[O-])c2)cc1 608974556 JQWAOIMHIXZMOI-QGZVFWFLSA-N 432.480 4.272 5 20 IIBD Cc1ccc(NCCCNC(=O)Cc2csc(-c3cccc(F)c3)n2)c([N+](=O)[O-])c1 610055792 CPUKPLLUCJFLOO-UHFFFAOYSA-N 428.489 4.327 5 20 IIBD CC[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1)c1cccc([N+](=O)[O-])c1 610556068 BTHZMUZBBWBLAU-NHCUHLMSSA-N 433.464 4.022 5 20 IIBD Cc1n[nH]c(C)c1[C@@H]1COCCN1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 611286074 MDNKJLVQCNLCQQ-FQEVSTJZSA-N 426.448 4.440 5 20 IIBD O=C(Nc1ccccc1-c1noc(Cn2ccc3cc([N+](=O)[O-])ccc32)n1)c1ccccn1 612927740 IZAFPXZQFGQYDK-UHFFFAOYSA-N 440.419 4.295 5 20 IIBD C[C@]1(NC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)CCS(=O)(=O)C1 727765936 NKOFDBBMXPJROM-VWLOTQADSA-N 433.529 4.240 5 20 IIBD O=C(CCOc1ccc(Cl)cc1Br)OCC(=O)c1ccc([N+](=O)[O-])cc1 728333281 OPYNIRUZFWEUQD-UHFFFAOYSA-N 442.649 4.206 5 20 IIBD O=C(NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)Nc1cccc([N+](=O)[O-])c1 728942240 NXJHOXNIJRNPOT-HNNXBMFYSA-N 437.296 4.185 5 20 IIBD Cc1cc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 729185557 RUXKBFFXIWWDAJ-INIZCTEOSA-N 427.505 4.053 5 20 IIBD C[C@@H](OC(=O)c1ccc(Cl)c(Cl)c1O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 730358969 GBYPYQHBDNPTDO-SSDOTTSWSA-N 433.631 4.445 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1cccc(S(=O)(=O)Cc2ccccc2)c1 730742841 QGBXSYDVLHVJJA-UHFFFAOYSA-N 432.404 4.099 5 20 IIBD CC(C)(C)Cc1nc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc2o1 731299663 WIGNLSLMCNBOMK-UHFFFAOYSA-N 434.430 4.034 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)c3nnn(-c4cccc([N+](=O)[O-])c4)c3C)cc2)nc1 733238004 TZUNIJVTBYGVDP-UHFFFAOYSA-N 430.424 4.232 5 20 IIBD CC[C@H](Nc1ccccc1)C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 733503533 HFWJZDMIRUNSKP-WBMJQRKESA-N 439.390 4.375 5 20 IIBD O=C(Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)c1cc([N+](=O)[O-])ccc1F 734787702 BTPFJYDJMKJXNE-UHFFFAOYSA-N 428.441 4.101 5 20 IIBD O=[N+]([O-])c1ccc(/C(O)=C(/C(=S)N[C@H]2C[C@H]3CC[C@H]2C3)[n+]2cccc(O)c2Cl)cc1 735666838 PMJKMESLDSHXIK-NOLJZWGESA-O 446.936 4.231 5 20 IIBD CC(C)(C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1cccc(F)c1 736874259 KINVQVQOZUTTBF-UHFFFAOYSA-N 428.338 4.212 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)O[C@@H](C)C(=O)NC(C)(C)C)cc1[N+](=O)[O-] 741830618 OJTRSXUDJHQVFE-ZDUSSCGKSA-N 444.509 4.008 5 20 IIBD C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(OCCc2ccccc2)CC1 742593938 CZUIMIWSUDVDGA-INIZCTEOSA-N 431.920 4.299 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])OCc1ncc(-c2ccc(Br)cc2)o1 744477381 MCUFRAQCUZVKDU-UHFFFAOYSA-N 433.214 4.135 5 20 IIBD COCc1nc2ccccc2c(C)c1C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 744543429 DTRQGIJFSZEJKS-OAHLLOKOSA-N 437.452 4.090 5 20 IIBD O=C(OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 745348414 CDKQLBVUBOMACG-IAGOWNOFSA-N 435.263 4.138 5 20 IIBD Cc1c(C(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 746557559 BKKOHVBTEKRJCD-UHFFFAOYSA-N 441.375 4.439 5 20 IIBD CC[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)c1ccc(NC(C)=O)cc1 748903077 QTKIZEVXWBLPAJ-QGZVFWFLSA-N 438.358 4.390 5 20 IIBD CN(C)Cc1ccccc1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 749568328 JODGQXKHNKJRFO-UHFFFAOYSA-N 426.698 4.002 5 20 IIBD Cc1c(C(=O)OCc2cn3cc(Cl)cc(Cl)c3n2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 750144886 OQYVNMKYICMJCW-UHFFFAOYSA-N 439.211 4.431 5 20 IIBD Cc1nc(CCCC(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cs1 750565417 VFJKIMOOSWOVEP-SNVBAGLBSA-N 445.419 4.272 5 20 IIBD C[C@H](NC(=O)c1ccccc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1 750579816 YCWFBIFNNGMXTJ-AWEZNQCLSA-N 429.436 4.214 5 20 IIBD C[C@@H](OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ncc(-c2ccc(Cl)cc2)o1 751612693 LVLBTRQYACGYGK-CYBMUJFWSA-N 443.843 4.328 5 20 IIBD C[C@@H](OC(=O)c1c(F)ccc([N+](=O)[O-])c1F)C(=O)N[C@H](C)c1ccc2ccccc2c1 752557597 BXUAVFLVBWUPMY-CHWSQXEVSA-N 428.391 4.449 5 20 IIBD CCc1ccc([C@H](Nc2ccc(OC)c(NS(C)(=O)=O)c2)c2ccc([N+](=O)[O-])cc2)o1 753726594 RRECBGZPOKUDSE-OAQYLSRUSA-N 445.497 4.332 5 20 IIBD Cc1c(C(=O)OCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cccc1-c1ccccn1 755042598 PGWXFDNHGWMRAD-UHFFFAOYSA-N 439.855 4.205 5 20 IIBD CC(=O)N(c1ccccc1)c1nc(COC(=O)CCc2cccc([N+](=O)[O-])c2)cs1 756527885 NSBANADIMIGUPF-UHFFFAOYSA-N 425.466 4.412 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CCCc1csc2ccccc12 756651406 CFBHYUUEWCILMT-UHFFFAOYSA-N 428.466 4.323 5 20 IIBD CC[C@](C)(COc1ncccc1Cl)NC(=O)c1cccc([N+](=O)[O-])c1Br 758808912 GXAPOMJUMQAYHL-QGZVFWFLSA-N 442.697 4.383 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 759350213 XJMSGIAGAZESGP-JOCHJYFZSA-N 435.505 4.443 5 20 IIBD Cc1nc(C(=O)O[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)nn1-c1ccccc1C(C)C 759935536 SAYSTFQFGNLYTF-MOPGFXCFSA-N 438.488 4.145 5 20 IIBD CC(C)n1cc(Br)cc1C(=O)O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 759947202 WGZRCOWATCMOJW-ZFWWWQNUSA-N 425.283 4.277 5 20 IIBD COc1ccc(CNC(=O)Nc2cc3ccccc3nc2Br)cc1[N+](=O)[O-] 760164351 NEZBEFLGVPXSKV-UHFFFAOYSA-N 431.246 4.236 5 20 IIBD COC(=O)c1cc(C(=O)N2CCCc3cc(N4CCCC[C@H]4C)ccc32)cc([N+](=O)[O-])c1 763183831 HXVYWIVSSWUANJ-MRXNPFEDSA-N 437.496 4.353 5 20 IIBD CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)ccc1Cl 764151364 WMBBEVUBUFMNJI-UHFFFAOYSA-N 446.312 4.184 5 20 IIBD CS[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)C1 772476781 BPQNOVBZVHKKQR-DGCLKSJQSA-N 437.568 4.146 5 20 IIBD CCOc1cc(N2CCC(OC(=O)/C=C\c3ccc(Cl)nc3)CC2)ccc1[N+](=O)[O-] 772668630 CBPBRWMQSYOXMD-YWEYNIOJSA-N 431.876 4.267 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCN1C(=O)OC(C)(C)C 773803403 PLSGWSFRRKTXJU-MSOLQXFVSA-N 449.551 4.059 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 774638199 DZQSIUCCCXVXNS-ZIAGYGMSSA-N 437.928 4.181 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)c1ccc2c(c1)CC(=O)N2C 775091701 SLCNUVJQLUWRPG-ZDUSSCGKSA-N 442.493 4.042 5 20 IIBD CNc1ccc(C(=O)OCc2csc(-c3ccc(OC)cc3OC)n2)cc1[N+](=O)[O-] 780081002 DLUBRCFZFPCZMQ-UHFFFAOYSA-N 429.454 4.134 5 20 IIBD O=C(NC[C@@H](O)c1ccc(Cl)cc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 780338489 IUOUCTDUUSWVOX-LJQANCHMSA-N 428.822 4.076 5 20 IIBD C[C@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F 781597379 SCTBYRIYTPKPAY-NSHDSACASA-N 433.371 4.058 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])O[C@H](C(=O)Nc1ccccc1)c1ccccc1 781736207 FMPQFSKOKWAESO-QFIPXVFZSA-N 449.419 4.359 5 20 IIBD CC(C)CC(=O)Nc1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2Br)c1 782167197 LWELADMXXVEQGY-UHFFFAOYSA-N 434.290 4.272 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N(Cc1ccccc1)CC1CCOCC1 782170415 SOYSRJCCEOLCSM-UHFFFAOYSA-N 433.302 4.426 5 20 IIBD O=C(OCc1cncn1Cc1ccccc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 782957334 ZHOVFBGJZZPKKO-UHFFFAOYSA-N 435.358 4.138 5 20 IIBD O=C(NC1CCC(O)(c2cccnc2)CC1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 784843047 BAUFIOCYAXCBGL-UHFFFAOYSA-N 447.491 4.129 5 20 IIBD CC(C)CN(C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCCc2cccnc21 785255992 ZHTMKGMTGQVOQE-QGZVFWFLSA-N 430.892 4.144 5 20 IIBD CC[C@H](Oc1ccccc1Cl)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 786589989 WFNIWJPVFGAKNC-HNNXBMFYSA-N 427.240 4.241 5 20 IIBD Cc1cnc(COC(=O)[C@@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)c(C)c1[N+](=O)[O-] 789433732 VWAOZVHQCUPTSP-QHCPKHFHSA-N 449.507 4.187 5 20 IIBD Cc1cnc(COC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)c(C)c1[N+](=O)[O-] 789672562 XXQYDRNDTDMGGT-UHFFFAOYSA-N 447.491 4.355 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Oc1ccc(-c2ncc3n2CCCC3)cc1 790425024 VOQHTPOGNOFTEW-UHFFFAOYSA-N 433.873 4.216 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nncn1-c1ccc(C)c(Cl)c1 798541857 WUBVZOJKYSLVET-UHFFFAOYSA-N 447.904 4.267 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1nc(Br)ccc1Br 800150192 FTJKCIUTBLFCNM-UHFFFAOYSA-N 433.031 4.215 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C 801049651 WGEYLXKGNDEIMF-WMLDXEAASA-N 437.562 4.227 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)c1ccc(NC(=O)c2ccc(F)cc2)cc1 801830111 CUINHVMXOHSXFK-GFCCVEGCSA-N 440.406 4.199 5 20 IIBD CCn1c(SCC(=O)OCc2c(F)cc([N+](=O)[O-])cc2F)nnc1-c1cccc(C)c1 803244309 ZIWDZWCNGVVMRG-UHFFFAOYSA-N 448.451 4.295 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)OCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1F 803460869 QCQBAPQOPLMGIX-UHFFFAOYSA-N 433.392 4.100 5 20 IIBD O=C(c1ccc(-c2cc[nH]n2)s1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 803545693 LQBJIPPCSXDNIS-UHFFFAOYSA-N 433.287 4.007 5 20 IIBD CC(C)(c1nc(-c2ccccc2N2CCCOC2=O)no1)c1ccc([N+](=O)[O-])cc1F 809492538 GVXBUFYVIDVQAT-UHFFFAOYSA-N 426.404 4.457 5 20 IIBD Cc1ccc(Br)cc1-c1noc(-c2cc([N+](=O)[O-])ccc2N2CCOCC2)n1 809500990 ZMBLYAIEGIVNRM-UHFFFAOYSA-N 445.273 4.219 5 20 IIBD CN(CCCOc1cccc(S(C)(=O)=O)c1)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 809937755 GOYDFFYLHKOUGS-UHFFFAOYSA-N 447.340 4.206 5 20 IIBD CCN(CC)C(=O)COc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 812905657 HOSZPXFSKIJWQS-UHFFFAOYSA-N 440.283 4.401 5 20 IIBD O=C1CC(C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)(c2ccccc2)C1 813384891 FWZWZZLCRBDCRV-UHFFFAOYSA-N 430.416 4.053 5 20 IIBD C[C@@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 813619394 VWTWPFSQZHOUKU-HZPDHXFCSA-N 434.537 4.165 5 20 IIBD CN=[S@@](C)(=O)c1cccc(NCc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])c1 864014528 RZUJCVCGLOAKMV-PMERELPUSA-N 447.435 4.243 5 20 IIBD CCOC(=O)c1c(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)sc2ccccc12 914844255 YDRZXZDPMZDREL-UHFFFAOYSA-N 436.449 4.424 5 20 IIBD Cc1ccc(-n2ncc(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)c2C(C)C)cc1 914979375 YCOOYGMSNFFUBD-UHFFFAOYSA-N 436.468 4.316 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(CN2CCCCC2=O)cc1 915133518 PXVLFAHRIVEJBK-UHFFFAOYSA-N 436.493 4.483 5 20 IIBD Cc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)o1 915201758 VTOSEMKCWGZJDV-UHFFFAOYSA-N 427.844 4.374 5 20 IIBD C[C@@H](NC(=O)COC(=O)CCOc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 915451302 YBXTXFYEABEPQD-GFCCVEGCSA-N 441.267 4.091 5 20 IIBD CCOC(=O)C1=C(c2ccc([N+](=O)[O-])cc2)NC(=S)N[C@H]1c1ccc(-c2ccccc2)o1 917879621 TXTVBZQIDVDQND-NRFANRHFSA-N 449.488 4.348 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)CC1 919996614 VUAFHJUWPZCSIN-SFHVURJKSA-N 440.519 4.227 5 20 IIBD Cc1ccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c(OC[C@H]2CCCO2)c1 920009315 HIPSFLNXVMAQCQ-CQSZACIVSA-N 435.274 4.476 5 20 IIBD CNc1ccc(C(=O)OCc2coc(-c3ccc(Br)cc3)n2)cc1[N+](=O)[O-] 920495243 VZEDMBQDSSOGBZ-UHFFFAOYSA-N 432.230 4.411 5 20 IIBD CC(C)[C@@H](OC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1CCCCC1 920778621 OBYUAVYEEDTBFX-SCLBCKFNSA-N 426.897 4.032 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3ccccc3CN3CCCC3=O)cc2[N+](=O)[O-])CC1 1318010425 ZSKJXSZUIVTFGP-UHFFFAOYSA-N 436.512 4.206 5 20 IIBD C[C@H](OC1CCCCC1)C(=O)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 1318548429 XZEIENSESLNNSS-PKOBYXMFSA-N 432.517 4.261 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(Br)s1 1320158899 IBQVAYOXVBEEBM-UHFFFAOYSA-N 436.186 4.060 5 20 IIBD CN(Cc1cc(F)cc(F)c1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCO1 1325284448 KZIJOIOLJNDWRO-FQEVSTJZSA-N 443.454 4.337 5 20 IIBD CCOC(=O)C1=NN(c2ccccc2)[C@H](c2nc(-c3cc(C)c([N+](=O)[O-])cc3C)no2)C1 1325471707 ZRAMRKKLCATEFP-IBGZPJMESA-N 435.440 4.132 5 20 IIBD CCOc1cc(-c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)o2)c([N+](=O)[O-])cc1OC 1326377825 GHFYTQDFKZIETL-ZDUSSCGKSA-N 448.476 4.167 5 20 IIBD COC(=O)c1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2OCc2ccccc2)o1 1340712537 CKFZCYGMIRCJGJ-UHFFFAOYSA-N 430.800 4.459 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2ccc(-c3nnco3)cc2)cc1 1347758076 ODDCZVYTUXQRQN-UHFFFAOYSA-N 446.419 4.376 5 20 IIBD COc1ccc(NC(=O)NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c([N+](=O)[O-])c1 1517725187 XJJHOWPPFONGJY-UHFFFAOYSA-N 438.415 4.317 5 20 IIBD Cc1ccnc(C(=O)NC2(c3ccc(NC(=O)c4cc(C)c([N+](=O)[O-])cn4)cc3)CCC2)c1 1788766397 KUFMSXNGHWKYOE-UHFFFAOYSA-N 445.479 4.063 5 20 IIBD CCO/C=C/C(=O)Nc1ccc(C2(NC(=O)c3cccc(F)c3[N+](=O)[O-])CCC2)cc1 1791741423 SVSXLWPUJZLCSM-SDNWHVSQSA-N 427.432 4.032 5 20 IIBD CC(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)[nH]n1 1816729720 VWGDANZXXZXLBU-IBGZPJMESA-N 439.516 4.088 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCCCN2C(=O)/C=C/C2CC2)CC1 1824210165 PZWLXGVUQJKEPK-JYLQPTBZSA-N 439.556 4.113 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N1CC2(CCCN2C(=O)c2cccc3ccccc23)C1 1843622631 MYALOKWNRJPRKI-UHFFFAOYSA-N 443.503 4.198 5 20 IIBD CCc1ccc(-c2nc(CC(=O)OCC(=O)N(C)c3ccc([N+](=O)[O-])cc3)cs2)cc1 11015204 HVZVMJMJHNIFEL-UHFFFAOYSA-N 439.493 4.029 5 20 IIBD CCc1ccc([C@H](CNC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)N(C)C)cc1 11604046 NBKBPZPZYVDWDZ-QHCPKHFHSA-N 449.555 4.052 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1ccccc1Br 16014814 QHSQPQVDGXNXEW-UHFFFAOYSA-N 445.273 4.458 5 20 IIBD COc1ccccc1CN(Cc1cccs1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 16086193 VXMLPVQKKKLFPM-UHFFFAOYSA-N 432.523 4.364 5 20 IIBD COc1cc(CCNC(=S)Nc2ccc(SC(F)F)cc2)c([N+](=O)[O-])cc1OC 16946406 WQZFBAJEKROTCA-UHFFFAOYSA-N 443.497 4.456 5 20 IIBD C[C@H](Sc1nnc(NCc2ccco2)s1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 17983237 BBXYAODLBXSUSG-VIFPVBQESA-N 439.906 4.424 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c1 18228293 DSLBAWPNVJUPBW-UHFFFAOYSA-N 429.479 4.464 5 20 IIBD Cc1cccc(NC(=O)COC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C 18968547 YJGLMPHUBLOTSF-UHFFFAOYSA-N 439.390 4.214 5 20 IIBD Cc1nn(Cc2ccc(C(=O)OCc3ccccc3OC(F)F)cc2)c(C)c1[N+](=O)[O-] 26410759 ZRSSVUUXCALRLG-UHFFFAOYSA-N 431.395 4.415 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 26897617 INYGXGPUCIIUHZ-HNNXBMFYSA-N 439.537 4.159 5 20 IIBD Cc1ccc(NC(=O)[C@H](Sc2nnc3cc(C)nc(C)n23)c2ccccc2)c([N+](=O)[O-])c1 33034942 COKAUNRBJQCEIV-HXUWFJFHSA-N 448.508 4.430 5 20 IIBD Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cc1C(F)(F)F 58617241 BBKBHSKYFAJBKE-NSHDSACASA-N 425.338 4.053 5 20 IIBD COc1ccc(C2(CNC(=O)c3cc(OC)c(OC)cc3[N+](=O)[O-])CCCCC2)cc1 63082863 QTMZADHAGFJPKI-UHFFFAOYSA-N 428.485 4.253 5 20 IIBD CCOc1ccc(C(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 64510094 MQXPTGBSYFYYOM-UHFFFAOYSA-N 441.465 4.047 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCCc2nc3ccccc3[nH]2)cc1[N+](=O)[O-])c1ccccn1 64750399 LWYRHQOKVMRYRT-HNNXBMFYSA-N 430.468 4.012 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(CCN2CCCC2)cc1 65876924 AIJUMSXATLEBKP-UHFFFAOYSA-N 425.532 4.432 5 20 IIBD CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])ccc1Cl 72110684 VHKVWOUQXTYSGL-UHFFFAOYSA-N 446.312 4.184 5 20 IIBD COc1ncccc1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 107944554 KLPYSJCKEUGACF-UHFFFAOYSA-N 429.436 4.032 5 20 IIBD C[C@@H](NC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O)c1cccc([N+](=O)[O-])c1 108291981 KFWYFBFKYAUNRQ-OAHLLOKOSA-N 431.448 4.002 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1 301791268 NPBCGJYEWXHKEL-UHFFFAOYSA-N 430.386 4.124 5 20 IIBD O=[N+]([O-])c1ccc(Oc2ccc3nnc(-c4ccccc4F)n3n2)c(Br)c1 301967205 WCZTURRCSHLYID-UHFFFAOYSA-N 430.193 4.393 5 20 IIBD O=[N+]([O-])c1ccc2c(c1NCc1ccnc(N3CCN(c4ccc(F)cc4)CC3)c1)CCN2 302840569 LNNMBXSNXAJUMD-UHFFFAOYSA-N 448.502 4.036 5 20 IIBD CN(Cc1ccccc1Br)C(=O)c1ccc(Br)cc1[N+](=O)[O-] 431162222 RKOREEVKDNFBDE-UHFFFAOYSA-N 428.080 4.392 5 20 IIBD O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)c(Br)c2)c2cccnc12 432363629 WHPQMAVAQKSDKU-UHFFFAOYSA-N 442.678 4.360 5 20 IIBD CSC[C@H]1CCCN1C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435834181 IKNORDAFFWLMRT-CYBMUJFWSA-N 437.568 4.100 5 20 IIBD CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)n2)o1 439148141 WLRCKPVFNTUFJO-UHFFFAOYSA-N 428.470 4.323 5 20 IIBD O=C(N[C@H]1CS(=O)(=O)c2ccccc21)c1ccccc1Sc1ccccc1[N+](=O)[O-] 440622747 HXQIDQZFZFNUHD-INIZCTEOSA-N 440.502 4.004 5 20 IIBD CC[C@@H](c1ccc(F)cc1F)N1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 441443534 BGVSAJQDZWLHLP-FQEVSTJZSA-N 443.454 4.192 5 20 IIBD O=C1[C@@H](Nc2cccc(C[S@](=O)c3ccccc3)c2)CCN1c1cccc([N+](=O)[O-])c1 442118594 FWUYKUVRFORMAI-UGDMGKLASA-N 435.505 4.120 5 20 IIBD COc1cc(C)ccc1Oc1ccc(NC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cn1 444847289 JKTGRDVWAKHXCF-UHFFFAOYSA-N 448.439 4.297 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)C1(Cc2ccc(F)cc2)CC1)c1ccccc1[N+](=O)[O-] 445562881 HQQLYKXGVGNKQR-LJQANCHMSA-N 428.460 4.256 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CCOc2c(Cl)cccc21 445918274 DAGGUSKQYAHNKZ-OAHLLOKOSA-N 425.666 4.193 5 20 IIBD C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 446946189 OJZZPHMQSVGCCL-IAGOWNOFSA-N 436.512 4.303 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1cccc(-c2noc(C(F)(F)F)n2)c1 447271776 BICOTGOMFSPTKT-UHFFFAOYSA-N 448.766 4.118 5 20 IIBD Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 447655247 ZGIZAHCSQASTSQ-UHFFFAOYSA-N 427.411 4.126 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@@H](COCc2ccccc2)C1 460554311 YYHFNUDXZHICEY-OAQYLSRUSA-N 426.516 4.220 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@H]3c3cccc(F)c3)n2C[C@@H]2CCOC2)c1 461366043 MDPOZDXBLYBPGB-KKSFZXQISA-N 437.475 4.370 5 20 IIBD CCN(c1ccccc1)c1ccc(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 462701383 DVRQQASSDGSDJQ-UHFFFAOYSA-N 425.510 4.372 5 20 IIBD O=C(CCc1nc2cc(Br)ccc2s1)NCCNc1ccc([N+](=O)[O-])cc1 463110634 ZENGIKUGOUDDSY-UHFFFAOYSA-N 449.330 4.128 5 20 IIBD COc1cc(CN2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)c([N+](=O)[O-])cc1F 463485091 QQIKQRVASZVUAG-UHFFFAOYSA-N 442.274 4.007 5 20 IIBD Cc1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)s1 464046700 HDGRPJVIJAPTRR-UHFFFAOYSA-N 427.482 4.342 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CCN(CC4CC4)c4ccccc43)cc2)c(C)c1[N+](=O)[O-] 465354954 TZEXIIZCJRZZTG-UHFFFAOYSA-N 445.523 4.333 5 20 IIBD Cc1csc([C@H](NC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C2CC2)n1 465635037 OGSVBNYEBKBDBT-OAHLLOKOSA-N 443.451 4.241 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C1(S(=O)(=O)c2ccc(C)cc2)CCCC1 466520360 UDHIZJSHIKTVQP-UHFFFAOYSA-N 432.498 4.027 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1cc(Cl)c(Cl)cc1F 466571520 BYXZZIKOXONAJI-UHFFFAOYSA-N 428.203 4.368 5 20 IIBD CCCOc1cc(NC(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(F)(F)F)c([N+](=O)[O-])cc1OCCC 467853060 PKTZTYKEFAEZCN-DTDBQYNISA-N 446.422 4.467 5 20 IIBD CC[C@@]1(C)CN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 468077738 GCTRBIXWPXBFGI-DEOSSOPVSA-N 434.496 4.018 5 20 IIBD C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br 468340753 QVOKFIRAHJVSNH-JTQLQIEISA-N 425.229 4.324 5 20 IIBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)Nc1cc(-c2ccccc2)ccc1Cl 471433331 PXNYREAHOPGREN-UHFFFAOYSA-N 437.839 4.279 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)cc([N+](=O)[O-])c1 471619981 HMZHVRPFEOAZMD-UHFFFAOYSA-N 440.387 4.090 5 20 IIBD COc1cc(CCNC(=O)N[C@H](C)c2cc3cccc(F)c3o2)c([N+](=O)[O-])cc1OC 473458928 DNBWMVYUULCBTE-GFCCVEGCSA-N 431.420 4.100 5 20 IIBD C[C@H](C(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1F 477264574 NJXPRYNDFCXEMW-QWHCGFSZSA-N 425.382 4.251 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCc1cccc(OCC(F)(F)F)c1 478499615 GFIZVBNCYDBHLA-GFCCVEGCSA-N 446.809 4.316 5 20 IIBD CC(C)(C)[C@@H]1CCc2nc(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)sc2C1 480101760 ZIZFGBMRERCSLY-CYBMUJFWSA-N 426.502 4.035 5 20 IIBD O=[N+]([O-])c1ccc2nc(N3CCCN(Cc4ccccc4Oc4cccnc4)CC3)[nH]c2c1 481184558 UMEOGHSIUHQUBY-UHFFFAOYSA-N 444.495 4.371 5 20 IIBD COc1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc(OC)c1Br 486154028 RAHUWWQUFZAGNR-UHFFFAOYSA-N 435.274 4.179 5 20 IIBD Cc1cc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n(-c2ccccn2)n1 486370949 IUPGYOCQFUYCJA-UHFFFAOYSA-N 437.403 4.234 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1nc(-c2ccncc2)cs1 488249900 LLMBXZGUGZCWSS-ZDUSSCGKSA-N 444.538 4.343 5 20 IIBD CCn1c(S[C@H](C)C(=O)NCc2ccc(Cl)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 489420631 ALRGEWQDUQGJNM-CYBMUJFWSA-N 445.932 4.324 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N(CC)CC1CCN(c2ccccn2)CC1 489980634 JZJVBGRNFPGIAB-UHFFFAOYSA-N 428.558 4.481 5 20 IIBD CC(C)c1cc(C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)c2cnn(C(C)C)c2n1 490379517 UHUOFYISMGXWCL-UHFFFAOYSA-N 434.460 4.081 5 20 IIBD Cc1cc(CNC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])ccc1-c1ccccc1 490469271 KMYAEGJMHLROSL-UHFFFAOYSA-N 435.505 4.078 5 20 IIBD O=C(NC1CCCCC1)c1cc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)ccc1Cl 490831638 ZINIMVFXKLQCHQ-UHFFFAOYSA-N 441.875 4.439 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CN[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 491029676 JRKMQHHEWLXBNZ-JOCHJYFZSA-N 444.484 4.025 5 20 IIBD Cc1ccccc1[C@H](CC(C)C)NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 491136945 MWUYAFZUGRJOOV-SFHVURJKSA-N 444.557 4.220 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)c([N+](=O)[O-])cc1OC 492195808 QVJQJIBNSKTUAV-UHFFFAOYSA-N 441.484 4.127 5 20 IIBD COc1cc(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 493464914 NEYUBQNFOPNTMO-KBXCAEBGSA-N 445.903 4.215 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 498846441 QUDGSYOZGFXDLD-UGSOOPFHSA-N 438.452 4.277 5 20 IIBD O=C(Nc1ccc2nc(C(F)F)sc2c1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 500252920 FWGPGZZZWJFVOI-UHFFFAOYSA-N 446.435 4.272 5 20 IIBD CO[C@H]1Cc2ccccc2N(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C1 500281463 NOEDWMVGQGTPLO-AWEZNQCLSA-N 447.278 4.305 5 20 IIBD COc1cc(C(=O)N(C)CC2(O)CCCC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 502920860 TUGJECUYQZXFKD-UHFFFAOYSA-N 434.876 4.426 5 20 IIBD O=C(NCCNC(=O)c1cc2ccccc2c2cccnc12)c1cccc(Br)c1 504886218 WCEJKJGIYKFHHS-UHFFFAOYSA-N 448.320 4.310 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCCN([C@@H](C)c2ccccc2F)C1=O 505496941 VESPFQMSPACORF-QFBILLFUSA-N 427.476 4.141 5 20 IIBD COC[C@@H](C)n1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1-c1ccccc1 508764775 QWSLKLVDYJVNEF-OAHLLOKOSA-N 441.513 4.100 5 20 IIBD COc1cc(CN2CCC(c3nc(C)no3)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 509364568 GPCOIQXZYIGDOD-UHFFFAOYSA-N 438.484 4.253 5 20 IIBD COc1cc(C(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)c([N+](=O)[O-])cc1OC 509749548 ZRQVXINLKWSJPQ-UHFFFAOYSA-N 436.346 4.069 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1n[nH]c(Cc2cccc(F)c2)n1 512548375 BCJZOBWQZVXBIK-UHFFFAOYSA-N 429.477 4.443 5 20 IIBD C[C@@H]1COCCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)C1 513972415 BYUAMPVWEQPARS-IFXJQAMLSA-N 448.317 4.005 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(N2CCc3ccccc3C2)nc1 517205999 WKTFHKIJLULYBE-UHFFFAOYSA-N 431.496 4.437 5 20 IIBD CC1CCN(c2ccc(C(=O)N(Cc3ccncc3)C[C@H]3CCCO3)cc2[N+](=O)[O-])CC1 520868124 MOQRORUWAJFFNI-OAQYLSRUSA-N 438.528 4.048 5 20 IIBD CC(C)c1c(C(=O)NCc2cccc([N+](=O)[O-])c2)cnn1-c1ccc(C(F)(F)F)cn1 522238740 QYFOTRCGJATJHD-UHFFFAOYSA-N 433.390 4.248 5 20 IIBD COc1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc1NC(=O)C1CCCCC1 522503763 HHTSCHPNMVNSKM-UHFFFAOYSA-N 427.457 4.140 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(C3CCCCCC3)[nH]n2)ccc1[N+](=O)[O-] 522928681 QHNBTPFDAXRIBY-HXUWFJFHSA-N 439.516 4.307 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)cc1[N+](=O)[O-] 524050569 ZXCJYPUJUCFNEM-UHFFFAOYSA-N 441.296 4.256 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCN(C(=O)c2cc3occc3s2)CC1 524966788 YDMDNVQWZVOLRA-UHFFFAOYSA-N 441.490 4.215 5 20 IIBD C[C@@H](Oc1cccc(Br)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 525655011 LZWNQJMUPYPZQC-SECBINFHSA-N 431.189 4.365 5 20 IIBD CCCOc1cc(NC(=O)N2CC[C@H](Cc3cnn(C)c3)C2)c([N+](=O)[O-])cc1OCCC 530838603 CKRSXPCNBABLMM-MRXNPFEDSA-N 445.520 4.002 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1cccc(NC(=O)c2ccccc2)c1 535121139 OUVIRFCWWRZECD-UHFFFAOYSA-N 432.480 4.356 5 20 IIBD COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 536775419 CWEIOHYROHGMTJ-BFUOFWGJSA-N 427.482 4.233 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccccc2N2CCC(CN(C)C)CC2)c1 537385995 UKDOXPJIAYULNH-UHFFFAOYSA-N 440.544 4.089 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H](CO)c1cccc(Br)c1 537619386 DGEWXNWRXKKASO-HNNXBMFYSA-N 431.233 4.124 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)c1 538400498 WVHOYEZKGZHVAM-UHFFFAOYSA-N 449.463 4.328 5 20 IIBD CSCc1cccc(-c2noc(-c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)n2)c1 544768161 KVLYMMSPHZVWKA-UHFFFAOYSA-N 440.510 4.455 5 20 IIBD COc1cc(OC)c(-c2noc(Cn3c4ccccc4c(=O)c4ccccc43)n2)cc1OC 544902642 LEULOVLSWRNLKN-UHFFFAOYSA-N 443.459 4.279 5 20 IIBD C[C@H](Sc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C)C(=O)Nc1ccc(C(C)(C)C)cc1 545109657 IXBUJPXWTIEBOU-ZDUSSCGKSA-N 440.525 4.259 5 20 IIBD CC1(C)C[C@H](NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 545222342 ODKMAFLEIUUQQB-LJQANCHMSA-N 434.496 4.064 5 20 IIBD COCCC(C)(C)CNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 546068083 XELYAVURFIIADH-UHFFFAOYSA-N 431.455 4.009 5 20 IIBD CCOC(=O)c1cc(-c2nc(Cc3ccc(OC)c(OC)c3Cl)no2)cc([N+](=O)[O-])c1 546365991 AYRKQKPNCZTDGY-UHFFFAOYSA-N 447.831 4.083 5 20 IIBD Cc1c(Cc2noc(COc3cccc(NC(=O)c4ccco4)c3)n2)cccc1[N+](=O)[O-] 546483516 IZBZUTXMIWBIKG-UHFFFAOYSA-N 434.408 4.301 5 20 IIBD Cc1c(Br)cc(-c2nc(Cc3nc(-c4ccccc4)n[nH]3)no2)cc1[N+](=O)[O-] 546499478 ULAUVNRSJCYBTP-UHFFFAOYSA-N 441.245 4.092 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)c1 546881890 JWMAQBQSPVWHME-UHFFFAOYSA-N 445.324 4.272 5 20 IIBD COC(=O)c1ccc(Cl)c(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c1 551195774 LLBGYHXOJOESEP-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD COc1cc(-c2noc(COc3ccc([N+](=O)[O-])c(C)c3)n2)ccc1OC[C@H]1CCCO1 558295080 YXTUWTXUMWCXAO-QGZVFWFLSA-N 441.440 4.099 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 558839132 UYTBYQOQGICVHA-HNNXBMFYSA-N 442.470 4.035 5 20 IIBD COCC1(NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CCOCC1 562278099 XMNDQMSDVFDKNV-UHFFFAOYSA-N 436.917 4.325 5 20 IIBD COc1ccc([C@@H](Cc2ccccc2)NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 563948354 AYNFGQJQFUUDGP-JOCHJYFZSA-N 426.494 4.007 5 20 IIBD O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 564365939 ALUYZHJVHVZVAX-PKOBYXMFSA-N 430.411 4.075 5 20 IIBD CCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)Cc3ccccc3[N+](=O)[O-])c2)c1 568085085 IOILGEMWWYDFCX-UHFFFAOYSA-N 447.447 4.205 5 20 IIBD COC(=O)COc1ccc(CNc2ccnc(Oc3ccc(F)cc3F)c2)cc1[N+](=O)[O-] 568339489 TYEAFKMZZUWWHY-UHFFFAOYSA-N 445.378 4.224 5 20 IIBD O=C(NCc1cnn(CC(F)(F)F)c1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 568469749 IFTHHLGFQBIDCO-UHFFFAOYSA-N 436.415 4.435 5 20 IIBD CSc1ccc([C@@H](CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])N(C)C)cc1 569383091 OKECEPVSMJUNHE-SCLBCKFNSA-N 437.949 4.157 5 20 IIBD O=[N+]([O-])c1cc2c(N3CCC(Nc4cccc(Br)c4)CC3)ncnc2s1 569721042 VNCFHQKRFDQJLA-UHFFFAOYSA-N 434.319 4.443 5 20 IIBD CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn23)C1 573589467 HUFJZAORMRCNJL-CYBMUJFWSA-N 433.390 4.243 5 20 IIBD COC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)[C@H]1CCCO1 574307439 PUWOMBFUTNMIBO-ZWKOTPCHSA-N 436.917 4.323 5 20 IIBD Cc1ccc(CN2CC[C@@H](CN(C)CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)s1 577324215 KEGJIVVNTHUPPX-SFHVURJKSA-N 430.574 4.056 5 20 IIBD O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC(c2ncccc2Cl)CC1 578185365 MQNUWSHNZLRKDY-UHFFFAOYSA-N 427.892 4.256 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 603569052 RDINDIWNFBYDIO-UHFFFAOYSA-N 437.456 4.315 5 20 IIBD CCOc1cc(NC(=O)NCc2ccc(OC(F)F)cc2)c([N+](=O)[O-])cc1OCC 603651257 CTCZGWUKUVRNFC-UHFFFAOYSA-N 425.388 4.315 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cc2cc([N+](=O)[O-])ccc2o1 603730955 TYWDTVHSPPWUTQ-UHFFFAOYSA-N 443.481 4.158 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(OCC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)c1 603913696 CECVVXGDTMBVBR-IBGZPJMESA-N 440.496 4.421 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)cc([N+](=O)[O-])c1 604005035 VWCRBMSWNIZCML-UHFFFAOYSA-N 447.875 4.063 5 20 IIBD Cc1c(NC(=O)CCN2CCCN(Cc3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] 604434912 GASWVKMLJQGLLO-UHFFFAOYSA-N 430.936 4.093 5 20 IIBD O=C(N[C@@H]1CCOc2c(-c3ccccc3)cccc21)c1cc([N+](=O)[O-])cc2c1OCCO2 608942605 UFXHJJOMRMLSFM-HXUWFJFHSA-N 432.432 4.287 5 20 IIBD COc1ccc2cc(NC(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)ccc2n1 608950504 ZRELALVXTLMBOA-UHFFFAOYSA-N 431.452 4.266 5 20 IIBD CC(C)CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 609036484 OSTJKXXTAFOBGT-CJNGLKHVSA-N 435.571 4.266 5 20 IIBD COc1ccc2oc([C@@H](C)NC(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)c(C)c2c1 609294651 VZKVHVACTVEYSC-MRXNPFEDSA-N 438.484 4.251 5 20 IIBD COc1ccc(CNC(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)cc1[N+](=O)[O-] 609684320 ALSYNHSSDWPVFM-HKBQPEDESA-N 439.493 4.233 5 20 IIBD COc1ccc(CNC(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)cc1[N+](=O)[O-] 609684322 ALSYNHSSDWPVFM-WJOKGBTCSA-N 439.493 4.233 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1cccc(CSC2CCOCC2)c1 609705701 CAOKOLOEDWAIGI-UHFFFAOYSA-N 442.946 4.461 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCC2(O)CCCCCC2)c([N+](=O)[O-])c1 609802514 BJBQNJZSRQGPNQ-UHFFFAOYSA-N 426.469 4.110 5 20 IIBD CSC[C@@H](C)N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 609901638 MLBISZVGDAZNBQ-PXAZEXFGSA-N 438.347 4.378 5 20 IIBD O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC(=O)c1cc(O)nc2ccc(F)cc12 609967156 QTLHQLUIXTUYAE-UHFFFAOYSA-N 431.379 4.471 5 20 IIBD O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 609997147 GCHRZJPWHBLPSB-OAHLLOKOSA-N 434.851 4.278 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3cc(C(N)=O)sc3C)cc2[N+](=O)[O-])n1 610724994 MZIXSAKSNWMJIE-UHFFFAOYSA-N 434.524 4.232 5 20 IIBD O=C(NC1CCN([C@@H]2CCOC2)CC1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 610768626 JWENIGNWEAVSHA-GOSISDBHSA-N 445.903 4.024 5 20 IIBD O=C(c1ccsc1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC1 611201368 AGRTUVDINOESBG-UHFFFAOYSA-N 445.566 4.289 5 20 IIBD O=[N+]([O-])c1ccc2ncnc(Sc3nnc(-c4cccnc4)n3Cc3ccccc3)c2c1 611704164 YKAKIBCSZAUCTM-UHFFFAOYSA-N 441.476 4.391 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)NC(C)(C)Cc2ccc(Br)cc2)cc1[N+](=O)[O-] 727342998 WBLBPQWQRIZTDI-UHFFFAOYSA-N 436.262 4.325 5 20 IIBD COc1ccccc1C/C(C)=C/C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 730348307 XQSNELYFVJUXDQ-CMPYXILNSA-N 432.860 4.316 5 20 IIBD CC(C)(C)OC(=O)Nc1cc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)ccc1F 730477617 NNOWBBLIAXCYSN-UHFFFAOYSA-N 444.463 4.043 5 20 IIBD O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@H]1COC(=O)C1(c2cccc(F)c2)CCCC1 730702774 HXGXFZFQEKDPEX-LJQANCHMSA-N 440.471 4.394 5 20 IIBD Cc1ccc(C)c(C(=O)CCC(=O)OC[C@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])c1 730704183 OCIWTBSUPLOLQF-GOSISDBHSA-N 438.480 4.023 5 20 IIBD CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2csc(C(C)(C)C)n2)NC(=S)N1C 731426181 XHWKJENSHXEPOQ-MRXNPFEDSA-N 445.570 4.123 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2cnn3ccccc23)c2ccccc2)c([N+](=O)[O-])c1 733554076 YTTVPZUJNQGQKJ-OAQYLSRUSA-N 430.420 4.088 5 20 IIBD Cc1ccccc1C[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 734153931 RMKIDAFQYMMDNB-OAHLLOKOSA-N 439.331 4.062 5 20 IIBD O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1nn(-c2ccc(F)cc2)cc1Br 735435723 ZMYKMMYHCVDMRI-UHFFFAOYSA-N 438.184 4.178 5 20 IIBD O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Cl)c(N2CCCC2=O)c1 735444027 UQSADZIGYRPEKZ-UHFFFAOYSA-N 441.827 4.387 5 20 IIBD C[C@H](OC(=O)C1CCN(Cc2ccccc2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 741330028 IRELHQLGDSRRCP-HNNXBMFYSA-N 445.903 4.031 5 20 IIBD COc1cc(C(=O)Nc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)c([N+](=O)[O-])cc1OC 742889938 OIAFRNYGTJBGEH-CYBMUJFWSA-N 445.472 4.450 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1nc(-c2cccc(F)c2)no1 742920481 DTDBFBRUAPZKAA-CQSZACIVSA-N 439.447 4.265 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3cnn(C(C)(C)C)c3C)CC2)ccc1[N+](=O)[O-] 744201415 MQDHFXJMNYEMSI-UHFFFAOYSA-N 430.505 4.079 5 20 IIBD O=C(COC(=O)[C@H]1C[C@@]12CCCc1ccccc12)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 745715783 HDESARGYUIYGQZ-DYESRHJHSA-N 448.397 4.390 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cc(-c3ccccn3)no2)cc1)c1cccc([N+](=O)[O-])c1 746106019 FEGAUBMQDFUILV-UHFFFAOYSA-N 430.376 4.116 5 20 IIBD Cc1ccc(F)cc1NC(=O)[C@@H](C)OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 747957957 HNFWIIIAZGUNSG-GFCCVEGCSA-N 429.429 4.350 5 20 IIBD COc1ccc(CCCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cc1 750854776 UGCXZDLUGAJNTG-UHFFFAOYSA-N 427.682 4.382 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)OCc1csc(N(C(C)=O)c2ccc(C)cc2)n1 755672044 DZJQQXISEDYRQT-UHFFFAOYSA-N 441.465 4.410 5 20 IIBD CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccc(C(F)(F)F)s2)NC(=S)N1 758053956 FRNOZIOYVOIEQS-CQSZACIVSA-N 442.444 4.107 5 20 IIBD CC(C)CC(=O)N[C@H](C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 760509903 HUASZXCWCKJSTF-NRFANRHFSA-N 437.452 4.197 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)CCCc1cccc(Br)c1 761428613 MBUHCGQYMXMYCI-UHFFFAOYSA-N 435.274 4.170 5 20 IIBD O=[N+]([O-])c1ccc(I)c(-c2nc(Cc3cc(F)cc(F)c3)no2)c1 761635705 MSOLUXBLLLGBLL-UHFFFAOYSA-N 443.147 4.118 5 20 IIBD COc1ccc(Br)c(OC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 763542743 CLVSHJPIPZRUSS-UHFFFAOYSA-N 435.274 4.188 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1cc(=O)oc2cc(NC(C)=O)ccc12 763804711 AHQJSGZTWLWTHU-UHFFFAOYSA-N 442.449 4.129 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCCC[C@H]1C[C@H](O)c1ccccc1 764388386 AIJXTIFGHLBFFD-GMAHTHKFSA-N 434.496 4.289 5 20 IIBD O=C(OCCn1cnc2ccsc2c1=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 764656239 HHYGHBQWRBWEBV-UHFFFAOYSA-N 445.522 4.258 5 20 IIBD COCc1noc(COC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])n1 767743985 WDNAYVAFQWYDTO-UHFFFAOYSA-N 435.845 4.286 5 20 IIBD CCN([C@H](c1cccnc1)c1ccc(F)c(C)c1)S(=O)(=O)c1csc([N+](=O)[O-])c1 768854347 SPHZBEZPOGUKET-IBGZPJMESA-N 435.502 4.299 5 20 IIBD O=C(c1ccc(-n2cnc3ccccc32)nc1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 768984256 RDFZCCMDRCSKPM-QFIPXVFZSA-N 431.477 4.217 5 20 IIBD CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)N2C(=O)Cc1ccc([N+](=O)[O-])cc1Cl 769681592 RPVSBFXFQMURGB-MQVJKMGUSA-N 437.924 4.228 5 20 IIBD O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1cccc(OCC(F)(F)F)c1 770447081 UVGSDRMRZCNLTO-UHFFFAOYSA-N 439.390 4.004 5 20 IIBD CCN(Cc1cccc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c1)C(=O)OC(C)(C)C 771271767 HEOXGLCDXXLXFV-UHFFFAOYSA-N 431.493 4.451 5 20 IIBD Cc1ccc(C2(C(=O)OCc3ccc(Br)c([N+](=O)[O-])c3)CCOCC2)cc1 773428049 IFIZHIPECNUITN-UHFFFAOYSA-N 434.286 4.457 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCc1nc(C)c(-c2ccc(Cl)cc2)o1 778019317 GSWBDDWMJVMYGT-UHFFFAOYSA-N 439.852 4.138 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)c1cccc(NC(=O)c2ccco2)c1 778802473 YYEQDLHTHPEOLX-QGZVFWFLSA-N 439.399 4.015 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCc2sccc2[C@H]1c1cccs1 779528120 AHGAMRJJWBOTQL-KRWDZBQOSA-N 447.925 4.484 5 20 IIBD CC(C)N(C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Br)cn1 781625913 MEDADRSHULZXKG-UHFFFAOYSA-N 437.250 4.035 5 20 IIBD CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2ccc([N+](=O)[O-])s2)NC(=O)N1CC1CC1 782247479 BMZDIPZNXMSVEZ-GOSISDBHSA-N 430.461 4.184 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])c(F)c1)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 783825065 RIGAYHHEJFCPOP-UHFFFAOYSA-N 429.425 4.065 5 20 IIBD Cc1ccc(Br)nc1C(=O)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 786636445 GWIYBWIIHYZINK-GOSISDBHSA-N 428.242 4.402 5 20 IIBD CC(=O)[C@@H](Cc1ccc(Cl)cc1F)OC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 786787038 YLIIAYROHCKKPP-LJQANCHMSA-N 446.818 4.058 5 20 IIBD CC1CCN(c2ccc(C(=O)NC[C@H](O)c3cc(F)cc(Cl)c3)cc2[N+](=O)[O-])CC1 787825465 PZJKSTRGIILWFX-FQEVSTJZSA-N 435.883 4.087 5 20 IIBD Cc1c(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)noc1-c1ccccc1F 788837053 LVJJUSWGXOLTAV-UHFFFAOYSA-N 425.420 4.051 5 20 IIBD O=[N+]([O-])c1cc(Br)c(F)cc1OC[C@H](O)COCc1ccc(Cl)cc1 790139838 QGKAYLGMUOBAOM-GFCCVEGCSA-N 434.645 4.106 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cnc3c(c2)C[C@@H](NC(=O)OC(C)(C)C)CC3)c1F 790920281 DZILTWJFUBUIEP-AWEZNQCLSA-N 444.463 4.072 5 20 IIBD CC1(C)C[C@H](NCc2ccc(N3C(=O)N[C@](C)(C4CC4)C3=O)cc2)c2cc([N+](=O)[O-])ccc21 793569535 UCMZGQZJQHLGBG-SQJMNOBHSA-N 448.523 4.332 5 20 IIBD O=C(CN[C@H](c1ccccc1)[C@@H](O)c1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] 794669135 QEAROTGNEGSVSM-YADHBBJMSA-N 425.872 4.251 5 20 IIBD COCc1ncc(C(=O)O[C@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])s1 797276221 SEGMITOUZMTSAB-CQSZACIVSA-N 429.292 4.005 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCOc2cc(Cl)c(Cl)cc21 797354119 YYLBENQKWUDLNX-UHFFFAOYSA-N 426.212 4.168 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 804428814 YCOVXZMOOGURKW-IXDOHACOSA-N 449.276 4.141 5 20 IIBD COCCOc1c(Cl)cc(S(=O)(=O)Oc2cccc(C)c2[N+](=O)[O-])cc1Cl 808303863 KUJACMZEXBHMEM-UHFFFAOYSA-N 436.269 4.003 5 20 IIBD COc1cccc(-c2nc(CC(=O)Nc3ccc(SC(F)F)cc3)no2)c1[N+](=O)[O-] 809456480 PQKWKWWHRLUZSD-UHFFFAOYSA-N 436.396 4.149 5 20 IIBD CN([C@H]1CCO[C@H](c2ccc(F)cc2)C1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F 809830839 GEWUYVRXFMWBMG-GUYCJALGSA-N 446.859 4.067 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cncc(-c3ccccc3)c2)c(Br)c1 809854584 XGSWUTKYQSPHAB-UHFFFAOYSA-N 435.255 4.187 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 809914786 OASGXKQPFLHMOP-HNNXBMFYSA-N 427.791 4.455 5 20 IIBD COc1ccc([C@@H](O)C2CCN(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)CC2)cc1 812888617 DAJNGODICJTFRQ-HSZRJFAPSA-N 441.528 4.081 5 20 IIBD O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813016718 YVVHCRHRZGRUPZ-CQSZACIVSA-N 428.659 4.090 5 20 IIBD O=C1CSc2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3C(=O)c3ccccc3)ccc2N1 813395795 XFCOGNOIKMTGPG-UHFFFAOYSA-N 433.445 4.122 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)OCc1ccc([N+](=O)[O-])cc1 828787379 ZENKBHZXRJJVHW-UHFFFAOYSA-N 444.440 4.200 5 20 IIBD CC(C)[C@@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)N1CCCC[C@@H]1C 878472285 FZYMEXIVVAFQHO-AVRWGWEMSA-N 434.536 4.124 5 20 IIBD CCOCCOCc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 916494064 GHEACFXDVJBIQB-UHFFFAOYSA-N 427.501 4.391 5 20 IIBD CCN([C@@H](C)c1cccc(OC)c1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 917894260 VAZAFQKTKXUBLZ-LBPRGKRZSA-N 443.319 4.138 5 20 IIBD COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)N[C@@H]1c1ccccc1[N+](=O)[O-] 918097778 VVTCDAZIQAMBEB-QGZVFWFLSA-N 446.257 4.075 5 20 IIBD CCOC(=O)N[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 918992673 AEUTXHXYKNAIQK-INIZCTEOSA-N 447.875 4.391 5 20 IIBD Cc1ccccc1C1(CNC(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCOCC1 920014842 HHYYCXVBNKZLGK-UHFFFAOYSA-N 433.302 4.144 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)OC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)n2)cc1F 922754553 LOIBCLUZCDMFED-CYBMUJFWSA-N 437.387 4.196 5 20 IIBD CN(CC(=O)NCc1cccc(C(F)F)c1)c1cc(Br)ccc1[N+](=O)[O-] 1117545854 FDEDUUVBVWXEGA-UHFFFAOYSA-N 428.233 4.048 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC(Nc2ccccc2Cl)CC1 1253418554 DHISHAPZIMLFOQ-UHFFFAOYSA-N 430.892 4.123 5 20 IIBD Cc1ccc(C(=O)NC2CCN(Cc3ccc([N+](=O)[O-])cc3Br)CC2)s1 1342951053 RNMSOIZJOVTUFD-UHFFFAOYSA-N 438.347 4.122 5 20 IIBD O=[N+]([O-])c1cc(F)cc(-c2nnc(-c3cnn(-c4ccccc4)c3)o2)c1Br 1345971808 IXFFLORMLZPKBK-UHFFFAOYSA-N 430.193 4.399 5 20 IIBD C[C@@H]1CCCN(C(=O)CCNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 1517274979 IBUVCHJEMZAXFX-MRXNPFEDSA-N 426.473 4.157 5 20 IIBD C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1csc2ccccc12 1518404237 PRYGUIKPQYFYCS-OLZOCXBDSA-N 427.457 4.179 5 20 IIBD C/C=C(/C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1C)CC2 1825078888 IFSVSMWHCPFSLJ-JTMRULEUSA-N 448.932 4.205 5 20 IIBD O=C(C1CCCCC1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 1830703413 RPUMEBJEQGESCY-JOCHJYFZSA-N 443.544 4.114 5 20 IIBD C/C(=C\c1cccs1)C(=O)N1CC2(CCCN2C(=O)c2c(F)ccc([N+](=O)[O-])c2C)C1 1845492201 AFFIOTYUSKLICM-SDNWHVSQSA-N 443.500 4.024 5 20 IIBD Cc1csc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 1847902651 DRMCDZKNLQBORJ-HOTGVXAUSA-N 441.534 4.309 5 20 IIBD Cc1ccc(Cl)cc1NC(=O)COC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 9333096 ZZRVRDDKXIHRLF-UHFFFAOYSA-N 445.781 4.169 5 20 IIBD CC(C)CCn1c(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nc2ccccc2c1=O 11209062 POMHPZKKPXRMCN-UHFFFAOYSA-N 444.488 4.221 5 20 IIBD CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc([N+](=O)[O-])cc1Cl 15001226 QWRWEFHSXNUPFU-UHFFFAOYSA-N 429.782 4.368 5 20 IIBD Cc1cccc(Nc2nnc(SC[C@@H](O)COc3cccc([N+](=O)[O-])c3)s2)c1C 15232802 CRDVTUVSYDFOKF-HNNXBMFYSA-N 432.527 4.339 5 20 IIBD CCNc1nc(S[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nc2ccccc12 16397657 WEFNXMFKIMFBNX-LBPRGKRZSA-N 427.486 4.098 5 20 IIBD O=C(CSc1nnc(Nc2cccc(F)c2)s1)N1CCc2cc([N+](=O)[O-])ccc21 16562789 VPBYPXAINMBRTE-UHFFFAOYSA-N 431.474 4.010 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccccc1 16814225 LNPCDBADQVWXJZ-OAQYLSRUSA-N 435.436 4.031 5 20 IIBD CCn1c(SCC(=O)N(C)Cc2ccccc2OC)nc2cc3ccccc3cc2c1=O 22178684 QYJYAVWPIQIBNV-UHFFFAOYSA-N 447.560 4.329 5 20 IIBD Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(Br)c([N+](=O)[O-])c1 22720662 DMUOAKNARSXSPT-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD COc1ccc(Br)cc1CN(C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 26325961 NLXGKNKDMSJWLJ-CYBMUJFWSA-N 436.306 4.133 5 20 IIBD COCCOc1ccc(C(F)(F)F)cc1N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 27172852 HXRNQYZTJNBVFO-GFCCVEGCSA-N 427.379 4.078 5 20 IIBD Cc1cc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc(C)c1OCc1cccnc1 32487040 AYIXLPDNKDXSFZ-UHFFFAOYSA-N 446.507 4.148 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)N(C)Cc1cccs1 63638950 GVOGCSNUJATNTP-UHFFFAOYSA-N 445.522 4.038 5 20 IIBD O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 65126354 KOLHRZHGFGINEA-CYBMUJFWSA-N 444.463 4.253 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cc(Cl)ccc1C(=O)N1CCCCC1 71982444 SWJWTDMBERWNNQ-UHFFFAOYSA-N 430.892 4.233 5 20 IIBD O=C(Nc1cc(F)c(I)c(F)c1)c1ccc(Cl)cc1[N+](=O)[O-] 109863896 BDUDYYZCJJMNIY-UHFFFAOYSA-N 438.555 4.383 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)N2CCCC[C@@H]2c2nc3ccccc3n2C)cc1[N+](=O)[O-] 117495210 GQHHZDUASBYFPU-GOSISDBHSA-N 448.932 4.359 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNc2ccnn2C[C@H]2CCOC2)cc1 238012328 JTMJANRTTLAHBU-GOSISDBHSA-N 444.495 4.293 5 20 IIBD CN(c1ncc([N+](=O)[O-])cc1Br)C1CCC(NC(=O)OC(C)(C)C)CC1 301586259 PBAUHMUXVSELNU-UHFFFAOYSA-N 429.315 4.024 5 20 IIBD CNC(=O)c1ccc(N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)c([N+](=O)[O-])c1 301630968 CNFHCMIRMVKLDQ-UHFFFAOYSA-N 438.311 4.447 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2cccc(NC(=O)c3ccc(F)cc3)c2)s1 301925353 GTSNPJKUTKURHR-UHFFFAOYSA-N 449.485 4.063 5 20 IIBD O=C(c1cc(NCCNc2cccc(Br)c2)ccc1[N+](=O)[O-])N1CCCC1 302027647 HMSCDNGDMCIKKF-UHFFFAOYSA-N 433.306 4.117 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NC[C@]1(O)CCC[C@H](C(F)(F)F)C1 302522736 JFNXCGPNYLMILQ-SDBXPKJASA-N 431.289 4.417 5 20 IIBD C[C@@H](Oc1ccc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1)c1ccccc1 409566822 DJURERZJDRDGHJ-XLIONFOSSA-N 432.480 4.456 5 20 IIBD CCOC(=O)c1sc(NC(=O)c2cc(OC)ccc2[N+](=O)[O-])nc1-c1ccccc1 410095467 RKTPNAAFZRPFMZ-UHFFFAOYSA-N 427.438 4.156 5 20 IIBD CC(C)n1cnnc1[C@H]1CCCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 426346689 PMTQIZDXMAOWLN-IBGZPJMESA-N 449.511 4.366 5 20 IIBD O=C(NCc1cccc(NC(=O)C2CCCC2)c1)c1cc(Br)cc([N+](=O)[O-])c1 431442570 DBCRFGPMFSZROC-UHFFFAOYSA-N 446.301 4.416 5 20 IIBD Cc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c(OC[C@H]2CCCO2)c1 431792866 XOQZWHHUAHHOCU-MRXNPFEDSA-N 435.274 4.476 5 20 IIBD CCC(=O)c1cccc(NC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])c1 434329958 HBJYQDXFIZFGAH-UHFFFAOYSA-N 441.465 4.484 5 20 IIBD O=C(c1ccccc1NCc1cccnc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 434397825 YBXLRXUUOLUQHD-UHFFFAOYSA-N 432.480 4.286 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC[C@@H]1CCCN(c2ccccc2)C1 434417843 XLRPCDHEAJRHRH-HNNXBMFYSA-N 436.434 4.329 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@@H](O)COc1cccc(Cl)c1Cl 436316119 WBQXBSGSXRQDAK-MRVPVSSYSA-N 426.178 4.167 5 20 IIBD C[C@H](c1cccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1)N1CCOCC1 436340214 RMCYKMMFNTWSEW-QGZVFWFLSA-N 427.504 4.327 5 20 IIBD Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)C3)cc1 436965905 OYFUMBZGOUXDTO-UHFFFAOYSA-N 446.463 4.451 5 20 IIBD Cc1sc2ncnc(SCC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)c2c1C 437461632 LLXGYOBSIAAUPR-UHFFFAOYSA-N 428.539 4.500 5 20 IIBD O=C(c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@@H](CO)C1 438587719 YWBKFUGARVBICV-GFCCVEGCSA-N 426.416 4.219 5 20 IIBD Cc1ccccc1[C@@H](OC[C@H](O)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 438823611 ZDUZCSQAFKBNOV-VWNXMTODSA-N 444.491 4.329 5 20 IIBD COc1cc(OC)c2cc(CCCNC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)[nH]c2c1 440924181 MODOULOBFYPEDZ-UHFFFAOYSA-N 438.484 4.030 5 20 IIBD O=C(Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1cc(Br)cc([N+](=O)[O-])c1 442929764 GURJEHKRDZJLAB-QZTJIDSGSA-N 435.274 4.292 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc2c(=O)c3cccc(F)c3[nH]c12 444286073 KPHNNIPICZOOKJ-UHFFFAOYSA-N 439.830 4.355 5 20 IIBD CC[C@@H]1Cc2c(Br)cccc2CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 444871473 KTHXZEIPEDCLKQ-CYBMUJFWSA-N 439.331 4.102 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)Cc1noc(/C=C/c2ccc(F)cc2[N+](=O)[O-])n1 445324577 SQRBVVCIUHPRFA-GQCTYLIASA-N 446.822 4.439 5 20 IIBD COc1nc(C)c(Br)cc1-c1noc(C(C)(C)c2ccc([N+](=O)[O-])cc2)n1 445993639 FLEITZYTISFBPA-UHFFFAOYSA-N 433.262 4.445 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N(CC(F)(F)F)[C@@H]3CCCOC3)cc2[N+](=O)[O-])C1 446202828 XYNGVJIDLCDGAL-HLLBOEOZSA-N 443.466 4.261 5 20 IIBD CC(C)n1nccc1NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 447231714 OYDIQNMYBKUHNV-UHFFFAOYSA-N 431.499 4.162 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3cc([C@H]4CCCO4)nn3C)cc2[N+](=O)[O-])n1 447654420 XQCRSAJZZIFBGB-OAHLLOKOSA-N 445.526 4.348 5 20 IIBD Cc1cc(C[C@H](C)NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n(-c2ccccc2)n1 448527086 GZFGBJCDGQFMDC-KRWDZBQOSA-N 433.512 4.394 5 20 IIBD C[C@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Cl)c2ccccc12 462205376 VQMUKZZRPGUBRN-LBPRGKRZSA-N 443.912 4.470 5 20 IIBD COc1ccc(CC[C@@H]2CCCCN2C(=O)CN(C)c2ccccc2[N+](=O)[O-])cc1OC 463600001 OYCGSJSQKYWLEA-IBGZPJMESA-N 441.528 4.062 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)cc1 464195804 ASDGFJIKNJYENP-KRWDZBQOSA-N 447.513 4.354 5 20 IIBD CCN(CC)[C@@H](CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 465418567 CMQJKPLXTJDRGA-QHCPKHFHSA-N 440.544 4.231 5 20 IIBD NC(=O)c1csc(NC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)n1 466436221 GXBRDVFIXKTNLV-UHFFFAOYSA-N 434.886 4.207 5 20 IIBD Cc1c(C(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)nnn1-c1cccc([N+](=O)[O-])c1 467836379 KLCBIDHSNBLBHX-HDJSIYSDSA-N 446.294 4.467 5 20 IIBD CCCOc1cc(NC(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)c([N+](=O)[O-])cc1OCCC 471169692 QDZNYZVBBWITRW-INIZCTEOSA-N 433.465 4.391 5 20 IIBD CN(Cc1ccnn1C)C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 471936076 WXUQYDCWEPCRHM-UHFFFAOYSA-N 447.854 4.255 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)NCc1cc(Br)ccc1Br 479704146 XZISIULOTDPNNA-UHFFFAOYSA-N 446.070 4.118 5 20 IIBD CCCOc1cc(NC(=O)N2CCC(c3cn[nH]c3)CC2)c([N+](=O)[O-])cc1OCCC 479943843 WEWXDSSOWQAYGZ-UHFFFAOYSA-N 431.493 4.307 5 20 IIBD Cc1ccc(-c2nc(CN3CCCN(c4nc5ccc([N+](=O)[O-])cc5[nH]4)CC3)cs2)o1 481177135 NBRLWYONPIEQIO-UHFFFAOYSA-N 438.513 4.208 5 20 IIBD Cc1ccc([C@H](C)NCc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)cc1[N+](=O)[O-] 481301377 YQHSGRWGOBRCIW-AEFFLSMTSA-N 431.558 4.175 5 20 IIBD COc1cc(Br)c(NC(=O)c2cccc(SC)c2[N+](=O)[O-])cc1OC 486227778 FVAAHZWXFRURPG-UHFFFAOYSA-N 427.276 4.349 5 20 IIBD COc1ccccc1[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)N1CCCC1 486434390 ISOFSAXLJTWDSB-QFIPXVFZSA-N 438.528 4.088 5 20 IIBD O=C(NCCOc1ccc(Br)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 487991178 DWFJNEGSMHSHAM-UHFFFAOYSA-N 434.290 4.110 5 20 IIBD Cc1ccc([C@H](C)NC(=O)c2ccc(F)cc2I)cc1[N+](=O)[O-] 488100966 ZOCQGJPNRPRADM-JTQLQIEISA-N 428.201 4.138 5 20 IIBD O=C(CN1CCC(n2ccc([N+](=O)[O-])n2)CC1)Nc1ccccc1Sc1ccccc1 488783378 LYTJSBJYLVTAQD-UHFFFAOYSA-N 437.525 4.218 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CC[C@H](N(C)C)C2)cn1 489455955 JLKQPTPRSKPXIK-SFHVURJKSA-N 443.573 4.131 5 20 IIBD O=[N+]([O-])c1cccc(CN(Cc2noc(Cc3ccc(Br)cc3)n2)C2CC2)c1 490421767 VTKNLJGYUQZPKP-UHFFFAOYSA-N 443.301 4.496 5 20 IIBD O=C(N[C@H](c1c[nH]c2ccccc12)C(F)(F)F)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 490755000 DCQIQUNHXUJFED-LJQANCHMSA-N 447.417 4.211 5 20 IIBD O=C(Nc1ccc2[nH]ccc2c1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 498320733 BQBGVTKIRQFQRK-UHFFFAOYSA-N 436.449 4.129 5 20 IIBD Cc1cccc(CN(Cc2ccco2)C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c1 498880078 KGRNTZVLXPEJDN-UHFFFAOYSA-N 449.463 4.413 5 20 IIBD O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc2cc([N+](=O)[O-])ccc2o1 499831099 PFDOASMVEWRSLA-UHFFFAOYSA-N 435.358 4.449 5 20 IIBD COc1cc(S(=O)(=O)N(Cc2cccnc2)c2cc(C)ccc2Cl)ccc1[N+](=O)[O-] 500757783 JLDMZKHCWHLRAO-UHFFFAOYSA-N 447.900 4.356 5 20 IIBD CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 501163744 JQOMCPYGXCGEBW-QGZVFWFLSA-N 448.483 4.040 5 20 IIBD C[C@@H](NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1cccc(Cl)c1Cl 502263268 XNTPOWGMLDVXMP-GFCCVEGCSA-N 436.295 4.270 5 20 IIBD Cc1cnn(-c2ccncc2NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 504733969 ZGPAOLYQASAWHP-UHFFFAOYSA-N 437.403 4.234 5 20 IIBD CN(C)Cc1ccc(-c2ccccc2CNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc1 505090308 BEAZWIFMQPLDSI-UHFFFAOYSA-N 447.539 4.235 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 508464738 FCMHFOFOHYLPMS-BOFPYLFWSA-N 449.429 4.184 5 20 IIBD COc1cc(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)c([N+](=O)[O-])cc1OC 511504898 CCKQTWKEUUDPBX-ZDUSSCGKSA-N 436.848 4.076 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)c(C(F)(F)F)c1 512986643 XKZZGOSNLQLYOR-SUMWQHHRSA-N 444.431 4.060 5 20 IIBD COc1cc(CN(C)C2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])cc1OC(F)F 513456704 ROGGCEIIKRQWAR-UHFFFAOYSA-N 435.471 4.301 5 20 IIBD Cc1nc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)sc1Cc1cccc(F)c1 515632475 SWGMJGZJBQQOBD-UHFFFAOYSA-N 429.429 4.113 5 20 IIBD Cc1ncc([N+](=O)[O-])cc1C(=O)NCCOc1ccc2cc(Br)ccc2c1 516336816 MBHUDQAHYQPTIB-UHFFFAOYSA-N 430.258 4.023 5 20 IIBD O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCC(c2cccc3ccccc23)CC1 517561295 BUZPXZYGZDXFST-UHFFFAOYSA-N 427.464 4.349 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1ccc(F)cc1)c1cccs1 519038958 TXFDRPAIGVFHBT-LJQANCHMSA-N 427.457 4.202 5 20 IIBD COCCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1Cl 520408634 GXOVTQHITROWDM-LLVKDONJSA-N 429.256 4.333 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(CNCc3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)C[C@H](C)O1 520961270 IIQWPOBJLCYCNV-ROUUACIJSA-N 449.507 4.394 5 20 IIBD O=C(Nc1nc2ccccc2n1C1CCCCC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 521336178 AMWVBQHQSPUHPM-UHFFFAOYSA-N 431.456 4.283 5 20 IIBD CN(C)C(=O)c1cc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])ccc1Cl 522572387 STCCUVBCAQDHAD-UHFFFAOYSA-N 426.256 4.011 5 20 IIBD Cc1cc(S(=O)(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)sc1C(=O)O 522692865 AGGNCHQIOFWPSY-UHFFFAOYSA-N 434.451 4.256 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1CNC(=O)Nc1ccccc1 523243369 GJHWJVFOQRFDQO-QFBILLFUSA-N 442.541 4.278 5 20 IIBD CCC(CC)[C@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)N1CCCC1 523299934 MIIIXJOFJQVPKZ-IBGZPJMESA-N 433.940 4.107 5 20 IIBD Cc1c(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] 523714963 ZQEZKPZTGRVLFM-BEFAXECRSA-N 435.402 4.470 5 20 IIBD O=C(Nc1cccc(C[S@](=O)C2CCOCC2)c1)c1cc2cc([N+](=O)[O-])ccc2o1 523756069 YNQXMNQTOXYZTP-PMERELPUSA-N 428.466 4.021 5 20 IIBD Cc1nn(C)c(Oc2cccnc2)c1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 524218139 VHHUOGRPTFNCCG-UHFFFAOYSA-N 439.475 4.023 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)Cc1cc2c(cc1OC(F)F)OCO2 532971037 BEXBNIFCDBSXQB-LLVKDONJSA-N 448.382 4.168 5 20 IIBD O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cc(Cl)ccc3OCc3cccnc3)C2)nc1 533380274 NMGZGFIBODPCNB-LJQANCHMSA-N 439.903 4.304 5 20 IIBD COc1ccc2[nH]cc(C3=CCN(CCCn4c(=O)oc5ccc([N+](=O)[O-])cc54)CC3)c2c1 533487845 WQSJEVPNVIRMKR-UHFFFAOYSA-N 448.479 4.172 5 20 IIBD O=C(Nc1cccc2c1CN(c1nccs1)C2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 534053662 YYABCERVLLKIHH-UHFFFAOYSA-N 435.509 4.424 5 20 IIBD COc1cc(C(=O)N2CCOC[C@@H]2C2CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 534119026 QSYOCFLTSHNGAW-QGZVFWFLSA-N 432.860 4.300 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CS(=O)(=O)Cc3coc(-c4cccc(F)c4)n3)co2)cc1 534795690 KCMDIQJBTUQNFA-UHFFFAOYSA-N 443.412 4.159 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(Cn3nnc(Cc4ccc(Cl)c(Cl)c4)n3)co2)cc1 535480246 NQQVQKPNTMAVEY-UHFFFAOYSA-N 431.239 4.182 5 20 IIBD Cc1c(CNC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)cnn1C 536254122 SKMZYEVNXRKNJR-UHFFFAOYSA-N 439.522 4.328 5 20 IIBD Cc1oc(-c2ccccc2)nc1CS(=O)(=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 536305806 RCSDIEFSCWDAEG-UHFFFAOYSA-N 439.449 4.328 5 20 IIBD CNC(=O)c1ccc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c(Cl)c1 536498844 ZYDLZOMKXFCYLY-ZIAGYGMSSA-N 444.919 4.342 5 20 IIBD O=C(Nc1ccc(Br)c2ccccc12)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 536884889 GCYGINYFSBSPSQ-UHFFFAOYSA-N 438.241 4.344 5 20 IIBD Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c(=O)n(-c2ccccc2)n1C 537093824 DBQSCSOWJFJVOT-UHFFFAOYSA-N 426.498 4.145 5 20 IIBD O=C(CCOc1ccccc1Br)NCCc1ccc(Cl)cc1[N+](=O)[O-] 539800702 RJJFKPALDLBWQP-UHFFFAOYSA-N 427.682 4.139 5 20 IIBD Cc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])ccc1-n1nnnc1C(C)C 541341493 QMDSGLJPMOKJJI-ZDUSSCGKSA-N 444.879 4.062 5 20 IIBD COC[C@@H](N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccco1 541627252 PMKIKNKHFOWBBE-QUCCMNQESA-N 429.860 4.498 5 20 IIBD O=C(NCCNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)c1ccccc1F 543458372 XXXVFORCZHPGQW-UHFFFAOYSA-N 445.516 4.176 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccccc1CS(=O)(=O)c1ccccc1 544073243 SCPGRSJFKFSSGK-UHFFFAOYSA-N 442.518 4.300 5 20 IIBD CC(C)n1c([C@@H]2CCCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)nc2ccccc21 544840100 NFLIYBDQIFYMMN-MRXNPFEDSA-N 428.514 4.094 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1nc(-c2ccc(Br)cn2)cs1 550105251 SNFZWLMPVYGQAZ-UHFFFAOYSA-N 448.302 4.317 5 20 IIBD O=C(N[C@H](c1noc(-c2cc(Br)cc([N+](=O)[O-])c2)n1)C1CC1)c1ccccc1 554845501 LPBJQYUAYYOCLS-INIZCTEOSA-N 443.257 4.288 5 20 IIBD C[C@@H](C(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)c1cccc([N+](=O)[O-])c1 555721045 CDVBSOJZTMHHHW-CQSZACIVSA-N 428.441 4.309 5 20 IIBD COc1ccccc1O[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 557692307 MHGXTRQSPKXGLA-CQSZACIVSA-N 435.274 4.050 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2c2nc(-c3ccc(Br)o3)no2)ccc1[N+](=O)[O-] 558384706 UNGIASDOYNTSQC-ZDUSSCGKSA-N 447.245 4.286 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(F)(c3ccccc3OC(F)(F)F)CC2)n1 561323411 SWLWWUJQARJAFX-UHFFFAOYSA-N 443.353 4.140 5 20 IIBD CCOc1c(Br)cc(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1OC 561695988 GIFZPNBIPLSPGH-UHFFFAOYSA-N 437.290 4.430 5 20 IIBD CC[C@@]1(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)OCCc2ccccc21 564543244 RZQAISGPLGRHKU-MHZLTWQESA-N 426.516 4.149 5 20 IIBD Cc1c(Cl)cccc1N1CCCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 565496317 NOKLOAIBBPFQGT-UHFFFAOYSA-N 444.919 4.067 5 20 IIBD CN(Cc1nnc2n1CCCCC2)C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] 569893769 SQKUWPHMVPHWQJ-UHFFFAOYSA-N 437.525 4.336 5 20 IIBD CCCN1CCN(c2ccc(NC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)c(OCC)c2)CC1 572029168 FVPYJQKDLSTVCA-SFHVURJKSA-N 440.544 4.268 5 20 IIBD CC(=O)c1cc(Br)ccc1OCc1nc(Cc2ccccc2[N+](=O)[O-])no1 577300629 JLVZCOZFSAHAAR-UHFFFAOYSA-N 432.230 4.113 5 20 IIBD COc1cccc([C@H]2[C@H](c3nc(-c4ccc([N+](=O)[O-])cc4C)no3)CC(=O)N2C2CC2)c1 577456333 OKDDKMZDFPVEFS-CTNGQTDRSA-N 434.452 4.181 5 20 IIBD COc1ccc2c(c1)CCC[C@H]2CNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 585759833 HCLVXYXNNWTTFM-INIZCTEOSA-N 439.512 4.076 5 20 IIBD CCOc1cccc2cc([C@H](C)NC(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)oc12 589604090 PYEYZUHZPZGUNU-AWEZNQCLSA-N 425.441 4.405 5 20 IIBD CNC(=O)c1cccc(NC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)c1 603451227 ZOPAZTUZNSPXSM-UHFFFAOYSA-N 449.488 4.160 5 20 IIBD Cc1ccc(NC(=O)c2ccccc2)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C 603977650 FDKVCEVTOZGJAG-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD CCN(CC)C(=O)c1ccc(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1Cl 604007806 GUNCMHFPQGYMIP-UHFFFAOYSA-N 429.864 4.392 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 604105731 OFYCFBIQXLLDHC-KBPBESRZSA-N 448.932 4.001 5 20 IIBD CCN(C[C@@H]1CCOC1)C(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 604440426 XCUUWCVSTFYFTR-HNNXBMFYSA-N 428.510 4.046 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 604465731 FPQFSPXHDUAMDE-KRWDZBQOSA-N 447.495 4.356 5 20 IIBD COCCn1ncc2ccc(NC(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)cc21 604509862 KKUQASWEXZHJIC-UHFFFAOYSA-N 445.479 4.455 5 20 IIBD Cc1nc2n(n1)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)CC2 608901840 FYJRGTZVAKNPTQ-AWEZNQCLSA-N 443.916 4.044 5 20 IIBD COc1cc(C(=O)Nc2ccc(OCc3ccncc3)cc2)c([N+](=O)[O-])cc1OC(F)F 609178551 WJEJVOLOCWMLLE-UHFFFAOYSA-N 445.378 4.431 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)NCCCCN1CCC(Cc2ccccc2)CC1 609461403 LAGXZEVVAKQPRA-UHFFFAOYSA-N 425.529 4.068 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1F)N(CCCn1ccnc1)Cc1c(F)cccc1Cl 609525977 DDRZXQUTEUEJNY-UHFFFAOYSA-N 434.830 4.456 5 20 IIBD COc1ccccc1CN(C[C@H]1CCCO1)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 609727610 ORLYKOMHLWLQQV-GOSISDBHSA-N 448.903 4.234 5 20 IIBD Cc1cc(-c2noc(CCC(=O)NCCCCc3ccc([N+](=O)[O-])cc3)n2)ccc1F 610047185 NWMDBVHTQBUYKH-UHFFFAOYSA-N 426.448 4.164 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3C[C@H](C)O[C@H](C(F)(F)F)C3)cc2[N+](=O)[O-])n1 610398756 MXURWWSRLJSDJV-HZMBPMFUSA-N 447.460 4.303 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 611199581 JKEUDMFCQRFSQA-UHFFFAOYSA-N 449.442 4.279 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)c2cnc3ccccc3c2)cc1OC 726331510 CEKBLFUFDVZMJV-AWEZNQCLSA-N 426.425 4.095 5 20 IIBD Cc1ccc(C(=O)N2CCC[C@H](COC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)C2)o1 726359311 SASNZRGAPVMGGG-HOTGVXAUSA-N 432.498 4.072 5 20 IIBD CC(C)N(C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccc(F)cc1Cl 726367966 BLYLYXBOVZWZPM-GFCCVEGCSA-N 437.830 4.321 5 20 IIBD CC(C)(C)OC(=O)N1CCc2cc(NC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)ccc21 726507791 DFBYDSZMTWZULF-UHFFFAOYSA-N 449.467 4.330 5 20 IIBD COc1cc(COC(=O)c2csc(-c3ccccn3)n2)c([N+](=O)[O-])cc1OC(F)F 726642745 KBLKISHRTGUPBG-UHFFFAOYSA-N 437.380 4.080 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)cc1[N+](=O)[O-] 730286032 ATZOBLUVNJPUFO-UHFFFAOYSA-N 446.891 4.107 5 20 IIBD Cc1cc(OCC(=O)OC[C@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])ccc1C(C)C 730703760 ORAZYAWNOVDTTQ-GOSISDBHSA-N 440.496 4.253 5 20 IIBD CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2cccc(F)c2F)NC(=O)N1CC1CC1 730767046 WWLWXORSPTZDLV-FQEVSTJZSA-N 442.422 4.262 5 20 IIBD O=C(OCC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)c1cc(F)cc([N+](=O)[O-])c1 731528698 NZSSXTPNUDDLJE-UHFFFAOYSA-N 440.349 4.101 5 20 IIBD CS(=O)(=O)c1cc(C(=O)O[C@@H](c2cncc(F)c2)C2CCCCC2)cc([N+](=O)[O-])c1 731776379 YITFLDRTHGPBMB-LJQANCHMSA-N 436.461 4.011 5 20 IIBD Cc1ccc(COc2cccc(NC(=O)N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)c2)cc1 732438491 VCYZOQXNOBKDLJ-UHFFFAOYSA-N 447.495 4.231 5 20 IIBD CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)c1 732534727 AOSXFDYWVBYQOF-UHFFFAOYSA-N 449.485 4.212 5 20 IIBD C[C@H](OC(=O)CO[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 733020161 FFYGRDIHLHPEQX-DYEKYZERSA-N 432.395 4.079 5 20 IIBD O=C(c1cccc(C(F)(F)F)c1)N1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 735491031 ARGXLTSXZFSLTH-UHFFFAOYSA-N 427.810 4.225 5 20 IIBD O=C(OCc1nc2ccccc2[nH]1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 735990561 WZCDVZWRQKBLIA-UHFFFAOYSA-N 432.223 4.321 5 20 IIBD COc1cc(N2CCC(OC(=O)CCCOc3cccc(F)c3)CC2)ccc1[N+](=O)[O-] 739373124 YEXFFFWYACNNIH-UHFFFAOYSA-N 432.448 4.114 5 20 IIBD CC(C)(C)OC(=O)NCCc1ccc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 739546080 KKHCFMHADSNZJF-UHFFFAOYSA-N 441.528 4.256 5 20 IIBD Cc1cc(=O)oc2cc(OCCOC(=O)c3ccc([N+](=O)[O-])cc3Br)ccc12 740985220 HLWMRAPUQNYRGP-UHFFFAOYSA-N 448.225 4.008 5 20 IIBD O=Cc1ccc(OCC(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)c([N+](=O)[O-])c1 742771676 DICAKPFAMVPUHJ-UHFFFAOYSA-N 427.800 4.266 5 20 IIBD COc1cc(C(=O)O[C@@H](C)c2nc(Cc3ccccc3)no2)c([N+](=O)[O-])cc1OC(F)F 744532423 CBTVGVDMOZLNRK-NSHDSACASA-N 449.366 4.097 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](c2ccccc2)c2nc3ccccc3n2C)cc1[N+](=O)[O-] 746780800 TXEQHAOMMYACAL-NRFANRHFSA-N 445.435 4.218 5 20 IIBD O=C(OCCn1ccc([N+](=O)[O-])n1)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1 748121443 GUBKXQWKDJVOKY-UHFFFAOYSA-N 439.815 4.019 5 20 IIBD Cc1cc(C)n(Cc2cccc(C(=O)O[C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c2)n1 748893703 HOTKFPLOKNSJBG-INIZCTEOSA-N 447.451 4.424 5 20 IIBD O=C(NCCCOC1CCN(Cc2ccccc2)CC1)c1cccc(Cl)c1[N+](=O)[O-] 750072235 TWTKCDGMODKVNS-UHFFFAOYSA-N 431.920 4.049 5 20 IIBD C[C@H](OC(=O)c1c(F)cccc1Br)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 750376922 BVBGPPXIIWZONO-QMMMGPOBSA-N 445.628 4.334 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCCC[C@H]1C[C@H](O)c1cccs1 750839328 UEOOMGDTKOHGJZ-LPHOPBHVSA-N 447.557 4.362 5 20 IIBD CC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1 751637530 ZNGXHWLEPILLTL-NSHDSACASA-N 436.873 4.113 5 20 IIBD CCn1cnnc1-c1ccccc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754986354 HSHIIGFRLHBJGQ-UHFFFAOYSA-N 434.225 4.027 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)OC[C@@H]1CCC(=O)N(C)[C@@H]1c1cccc(Cl)c1 755784518 FYICTVINDUULKS-VBKZILBWSA-N 432.860 4.023 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1c(F)cc(Br)cc1F 756605308 WLTONINJWGXMRF-UHFFFAOYSA-N 440.156 4.043 5 20 IIBD CC(C)(C)OC(=O)NCc1cccc(OC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 759320419 WXIGBMDDSYTMHK-UHFFFAOYSA-N 425.441 4.249 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC[C@@H]1Cn1cnc2ccccc21 760857627 WSRCCGOQXCNKAL-CYBMUJFWSA-N 429.274 4.012 5 20 IIBD COc1ccc(Cc2noc([C@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)n2)c(Cl)c1OC 761808296 UZEANBQOXFOTJL-MRXNPFEDSA-N 444.831 4.105 5 20 IIBD NC(=O)c1ccc(OCc2nc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)no2)cc1 761856764 DYGKKSYYUDNBOM-UHFFFAOYSA-N 432.392 4.115 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 762968939 SWDFVYPIMLPKHK-ZWKOTPCHSA-N 442.516 4.470 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(N[C@H]3CCN(c4ccc(C(F)(F)F)cc4)C3)CC2)cc1 766014838 SAKRVTNEWZDIJE-SFHVURJKSA-N 434.462 4.451 5 20 IIBD COc1cc(COC(=O)c2cnc3c(c2)c(C)nn3-c2ccccc2)c([N+](=O)[O-])cc1F 766186668 GNQMYKVXZLRQOT-UHFFFAOYSA-N 436.399 4.142 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@@H](CC(=O)OC(C)C)C2)CC1 768488195 IHZLYBULQRVOSG-SFHVURJKSA-N 431.533 4.025 5 20 IIBD Cc1ccc(COC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cn1 772667356 QHJVVWZUKSCBMC-UHFFFAOYSA-N 428.448 4.437 5 20 IIBD Cc1cc(OS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c(F)cc1[N+](=O)[O-] 774882382 IJMYYMZSBDZUDI-UHFFFAOYSA-N 425.177 4.025 5 20 IIBD CC[C@@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1cc(F)cc(Br)c1 777012055 KSKAEQNNZZBRLT-MRXNPFEDSA-N 435.253 4.114 5 20 IIBD C[C@@H](CC(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(=O)c1ccc(Cl)cc1 777215682 KLCBVUWBOMSGGG-LBPRGKRZSA-N 429.816 4.251 5 20 IIBD CCC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)C(=O)N1CCc2sccc2C1 779425971 YCNCNFWLCKBLIG-HNNXBMFYSA-N 436.921 4.185 5 20 IIBD CN(C)c1ccc([C@@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])c2c[nH]c3ccccc23)cc1 779490703 DDZYEFMWYLSQFM-LJQANCHMSA-N 443.507 4.286 5 20 IIBD CC(C)(C)OC(=O)N1Cc2ccc(CNC(=O)c3cc(F)c([N+](=O)[O-])cc3F)cc2C1 781585938 FZVLUELRDIERHM-UHFFFAOYSA-N 433.411 4.054 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N1CCc2ncsc2C1 782635989 TYDOJCMLAJVIJR-IBGZPJMESA-N 428.901 4.443 5 20 IIBD Cc1c(NC(=O)C(=O)Nc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)cccc1[N+](=O)[O-] 785012312 CNZVFSDBPUNVQD-CQSZACIVSA-N 442.472 4.066 5 20 IIBD Cc1cc(C(=O)N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)c(N)c([N+](=O)[O-])c1 787665113 OWICXSUIZOHGFD-UHFFFAOYSA-N 431.492 4.276 5 20 IIBD O=C(COC(=O)c1cc(C(F)(F)F)cnc1Cl)Nc1ccc([N+](=O)[O-])cc1Cl 789019701 BABPKOFCLLRXNX-UHFFFAOYSA-N 438.145 4.111 5 20 IIBD Cc1ccc(/C(O)=C(/C(=S)Nc2ccsc2)n2ccc(=[N+](C)C)cc2)cc1[N+](=O)[O-] 790116057 CUSNUAFJYFUHDM-UHFFFAOYSA-O 441.558 4.121 5 20 IIBD CCN(C(=O)COC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@@H](C)c1ccc(F)cc1 790743308 VZBOSHFGHMWODS-LBPRGKRZSA-N 440.830 4.222 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c(C)c1 792473678 QCCYVFWNBUFPES-ZDUSSCGKSA-N 435.274 4.467 5 20 IIBD O=C(NC[C@H]1CCCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1)OCc1ccccc1 794675270 XDSZAGADEQBICJ-HXUWFJFHSA-N 449.511 4.054 5 20 IIBD COc1cc(Br)c(C(=O)COc2cc(F)c([N+](=O)[O-])cc2Cl)cc1OC 795262459 YIDLVWVNDKIZSA-UHFFFAOYSA-N 448.628 4.429 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)Nc1cccc(-c2csc(C)n2)c1 795711381 NHAAALKEUYFYSG-UHFFFAOYSA-N 441.465 4.221 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCOc3cccc(F)c3C2)c1=S 800855406 JCEMAKGDQSQJHJ-UHFFFAOYSA-N 429.477 4.000 5 20 IIBD Cc1cc(N2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 800878801 KMVKEMWWYUAMPW-QFIPXVFZSA-N 427.505 4.101 5 20 IIBD CCCCNC(=O)OC[C@H]1CCCCN1C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 804228426 NPTVOXWPPKAFTJ-GOSISDBHSA-N 440.500 4.178 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1N(Cc1ccccc1)C[C@@H](O)c1cccc(OC(F)F)c1 808019227 VLUUZVDFHOKGHZ-LJQANCHMSA-N 446.454 4.461 5 20 IIBD CC(C)c1ccc(CCCNC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1 810366741 PLAMLWHJGJJGBD-UHFFFAOYSA-N 448.317 4.168 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N(Cc1cccc(F)c1)C1CCCC1 914518939 VBGVQOCNGKCDDD-UHFFFAOYSA-N 427.476 4.156 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@H](C)Oc1cccc(Cl)c1Cl 915499756 WTAFRCPMZYDSDC-NSHDSACASA-N 427.240 4.159 5 20 IIBD O=C(CCn1cc(Cl)cn1)Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1 917428815 YMTXMRDNKYEROX-UHFFFAOYSA-N 439.811 4.214 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(N4CCOC4=O)cc3)cc2[N+](=O)[O-])C1 918386566 OSKLQGVIIWBSOA-HZPDHXFCSA-N 438.484 4.286 5 20 IIBD COc1cc(C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)ccc1OCC(C)C 918797946 YEJFVUFBSNESNV-UHFFFAOYSA-N 427.413 4.045 5 20 IIBD COc1ccc([C@@H]2CCCCCN2C(=O)COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 918860774 BVGRWYHKHULHBJ-BODNZJIQSA-N 438.480 4.304 5 20 IIBD O=C(OCC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F 919569825 WEIWKSOGFOXUAO-OAQYLSRUSA-N 434.423 4.065 5 20 IIBD O=C(NCC1(c2ccc(F)cc2)CCOCC1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 920011080 ZXSASRNCFWACCY-UHFFFAOYSA-N 441.503 4.202 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)c1 920703707 CJVHFMHXRLJHOB-GOSISDBHSA-N 432.448 4.193 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@@H](C)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 920907385 XSBMGSYNKBONOF-QMMMGPOBSA-N 449.678 4.020 5 20 IIBD Cc1cccc2nc(C(=O)O[C@@H](c3ccc(Br)cc3)C(C)(C)[N+](=O)[O-])cn12 1122721118 QYWCGFPHGZLPLQ-KRWDZBQOSA-N 432.274 4.359 5 20 IIBD Cc1ccc(Cn2ncc3c(C(=O)N[C@@H](C)c4cccc([N+](=O)[O-])c4)cc(C)nc32)cc1 1317918236 RQDWKSWGUJHUBO-KRWDZBQOSA-N 429.480 4.496 5 20 IIBD CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CCN(Cc4cccc([N+](=O)[O-])c4)CC3)c12 1318083189 QZAFXDROJTZGPH-UHFFFAOYSA-N 449.511 4.090 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(Cn1nc(-c3ccncc3)n(-c3ccccc3)c1=S)C2 1318895936 ZVVOHTZGDUZNSL-UHFFFAOYSA-N 430.493 4.347 5 20 IIBD CN1CCN(Cc2cccc(CNCc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)c2)CC1 1321653324 HLAKHQHJSPWSQI-UHFFFAOYSA-N 436.581 4.361 5 20 IIBD COc1c(C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cnn1-c1ccccc1 1324723388 HSKDFKZYJJMIDP-UHFFFAOYSA-N 436.449 4.270 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)c1 1326354442 RSZCWPNHMLICFM-FRIKZZABSA-N 437.540 4.374 5 20 IIBD O=C(COc1ccc(Cl)cc1Br)OCc1nc2cc([N+](=O)[O-])ccc2o1 1340034157 CRNFESCSBMXFKP-UHFFFAOYSA-N 441.621 4.274 5 20 IIBD O=C(Nc1ccc(OC(=O)[C@@H]2COc3ccc(F)cc3C2)cc1)c1cccc([N+](=O)[O-])c1 1341802538 NTVLVGWOEWVRAH-INIZCTEOSA-N 436.395 4.143 5 20 IIBD O=C(OCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 1343328534 RXRPWVQJMBTCPM-HXUWFJFHSA-N 432.476 4.386 5 20 IIBD COc1ccc(NC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)c([N+](=O)[O-])c1 1349908947 PBRKESSFZLMGPP-CQSZACIVSA-N 434.493 4.047 5 20 IIBD Cc1cccnc1C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc([N+](=O)[O-])o3)CCC2)cc1 1786498207 PWGLOBUMIMPLTK-PKNBQFBNSA-N 446.463 4.352 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccccc4[N+](=O)[O-])CCC3)cc2)n[nH]1 1790111847 LTFQOCHDOOHTEY-KPKJPENVSA-N 445.479 4.087 5 20 IIBD Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)C(C)(C)F)CCC3)cc2)cc1[N+](=O)[O-] 1790525899 BWMPJBQVOGRULN-UHFFFAOYSA-N 427.476 4.328 5 20 IIBD Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2(c4cccc([N+](=O)[O-])c4)CCC2)C3)c1 1799651937 FODCIVFTUQTVAI-KOUNCHBCSA-N 447.535 4.277 5 20 IIBD CC[C@H](C)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 1801206312 XFZWRMDIIGHQJX-LLLHUVSDSA-N 429.542 4.498 5 20 IIBD O=C(/C=C/C1CCCCC1)N1CCC2(CCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)CC1 1804650988 CPBZWVIAMLFWQS-VQHVLOKHSA-N 429.517 4.169 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC2(CCCN(C(=O)[C@@H]3CC=CCC3)C2)CC1 1805398810 UUCFDLZZYKMVOS-OAQYLSRUSA-N 439.556 4.115 5 20 IIBD C[C@@H]1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1830622192 TUFJVFWBHZOGRG-MMOPVJDHSA-N 445.535 4.403 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC(C)(C)C)CC1 1830788813 UPFDVKNZDCPHIO-LJQANCHMSA-N 445.560 4.278 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC2(CCCN2C(=O)C2CC3(CCC3)C2)C1 1846742403 PHIGXIYMGAHYEZ-UHFFFAOYSA-N 439.537 4.207 5 20 IIBD O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)C1CCN(c2ccccc2[N+](=O)[O-])CC1 5968643 LFRUPWCYKQWPIO-UHFFFAOYSA-N 426.513 4.140 5 20 IIBD CSc1ccc(C(=O)OCC(=O)N2CC[C@H](C)Sc3ccccc32)cc1[N+](=O)[O-] 9620835 KHDAQDHISRGVEO-ZDUSSCGKSA-N 432.523 4.391 5 20 IIBD C[C@H](Sc1nnc(NCCc2ccccc2)s1)C(=O)Nc1ccccc1[N+](=O)[O-] 10776080 DARMJVSENOZFCN-ZDUSSCGKSA-N 429.527 4.220 5 20 IIBD O=C(OCc1nccn1C(F)F)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 11394713 IHZRHIYJOLSICO-UHFFFAOYSA-N 448.348 4.165 5 20 IIBD Cc1nn(CC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c(C)c1[N+](=O)[O-] 14502163 MVUFZGOXPNTADE-UHFFFAOYSA-N 426.285 4.477 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2ccc(Br)cc2C)c1 16196725 DSENTQVHIYRXNN-UHFFFAOYSA-N 439.287 4.183 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2cccc(Br)c2)c1 16197139 ODYOVPIWIRXXPK-JTQLQIEISA-N 439.287 4.263 5 20 IIBD CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc([N+](=O)[O-])c(O)c1 18004755 CQDSEABYIJGBKC-UHFFFAOYSA-N 426.256 4.098 5 20 IIBD C[C@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)Nc1c(F)cccc1F 18591129 FSXJJUVYGKSBPN-LBPRGKRZSA-N 425.460 4.484 5 20 IIBD C[C@H](Sc1nc(COc2ccc(Cl)cc2)n[nH]1)C(=O)Nc1cccc([N+](=O)[O-])c1 21158141 TYRZCIPNNLOSCM-NSHDSACASA-N 433.877 4.065 5 20 IIBD C[C@@H](Sc1nc(-c2ccccc2Br)n[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 21688552 KTSSVUDTMJVTHL-SNVBAGLBSA-N 448.302 4.262 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nnc(Nc2cccc(F)c2)s1 26409509 JDEZUOPOSPIYMV-UHFFFAOYSA-N 449.489 4.459 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)cc2[N+](=O)[O-])C1 27017679 PHYBEBZJFLTUOM-ZNMIVQPWSA-N 438.484 4.049 5 20 IIBD C[C@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(c1ccccc1)c1ccccc1 31385120 TWZDZNJPSXVTHI-SFHVURJKSA-N 431.492 4.052 5 20 IIBD Cc1cc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)ccc1Oc1cccnc1 63164918 CLSILSVZTNSFRS-UHFFFAOYSA-N 433.468 4.445 5 20 IIBD COc1cc([C@H](C)NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)ccc1OCC(C)C 65732049 UQBYDPZTZCPNPY-INIZCTEOSA-N 425.485 4.470 5 20 IIBD C[C@H](NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)c1cc(F)c(Cl)cc1Cl 69231161 OQHJZKVQXLITRB-VHSXEESVSA-N 428.247 4.036 5 20 IIBD O=C(Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)cc1[N+](=O)[O-] 69526256 WYGYCNGAFONWGA-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c(=O)n(-c2ccccc2)n1C 107752462 QZNBFXNPPPKULA-UHFFFAOYSA-N 444.447 4.437 5 20 IIBD COc1cccc(NC(=O)c2ccccc2NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c1 109394781 GYXYBUCIIWPNLS-UHFFFAOYSA-N 439.399 4.012 5 20 IIBD CCNc1ccc(C(=O)Nc2ccnn2Cc2cccc(Br)c2)cc1[N+](=O)[O-] 117246410 QSJIEKJOXKGBTH-UHFFFAOYSA-N 444.289 4.286 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1CNCCC(=O)Nc1ccc(Br)cc1C 236842082 HHNZZHNUYXAVQF-UHFFFAOYSA-N 436.306 4.183 5 20 IIBD O=C(NC1CC1)c1ccc(NC2CCN(Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 247333706 PSSQTAGMOWEJPL-UHFFFAOYSA-N 428.920 4.217 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1Sc1nnc(-c2ccc(Cl)cc2)[nH]1 301281536 XVDSTNIRWONOTK-UHFFFAOYSA-N 446.844 4.181 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N[C@H]3CCO[C@@H](C4CC4)C3)c([N+](=O)[O-])c2)c(C)c1 302191754 ZIIZSRBPFUIEJG-HTAPYJJXSA-N 445.541 4.382 5 20 IIBD Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 303664767 BXUNTZDGGYHDKL-IBGZPJMESA-N 427.526 4.355 5 20 IIBD CC(C)(C)n1nccc1NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 409845093 XNTFUDVXAHSJFO-UHFFFAOYSA-N 439.438 4.420 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1nc(-c2ccccc2)cs1 410390271 IDESLVOOLODVHK-NSHDSACASA-N 430.873 4.188 5 20 IIBD C[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])c2ccccc2N(Cc2ccccc2)C1=O 430772055 IYYOECNAOVMSKB-SFHVURJKSA-N 444.491 4.223 5 20 IIBD O=C(NCC[C@H](c1ccccc1)C(F)(F)F)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 432480324 YQZCHFUKWSQOTF-LJQANCHMSA-N 436.434 4.163 5 20 IIBD COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CC2 432572579 JXSWFKALBJVRKZ-HSZRJFAPSA-N 434.448 4.106 5 20 IIBD CCCN(C(=O)c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C)C(C)C 433594750 FJILEHDODWGCLZ-UHFFFAOYSA-N 433.530 4.273 5 20 IIBD CC(C)[C@@H](c1ccc(F)cc1)N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 435297306 UYSZVXPFBUVLNO-KRWDZBQOSA-N 439.390 4.130 5 20 IIBD C[C@H]1CCN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)[C@@H]1CO 443385998 IEOMZBLYZSFOLF-BLLLJJGKSA-N 429.523 4.199 5 20 IIBD Cc1ccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1-c1nnnn1C1CC1 444288256 CVPYTBRHSBFDAC-UHFFFAOYSA-N 436.475 4.230 5 20 IIBD CCOc1ccccc1NC(=O)Cc1noc(-c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 445363948 HVGDWOKLGFVQQI-UHFFFAOYSA-N 436.346 4.244 5 20 IIBD Cc1ccccc1[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@H](C)CO1 446039054 JLPSBPCGWWDILE-AUUYWEPGSA-N 433.302 4.197 5 20 IIBD CC(=O)Nc1cccc(NC(=O)[C@@H](C)Sc2ccc(Br)cc2[N+](=O)[O-])c1 447347446 LGTOPDLNOQDUSM-SNVBAGLBSA-N 438.303 4.435 5 20 IIBD COc1ccc(S(=O)(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] 448169792 TZERCWRFKGEYEN-UHFFFAOYSA-N 442.946 4.202 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 462630402 WHQOCFLZXPRBJC-UYAOXDASSA-N 449.507 4.331 5 20 IIBD COCCOCc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 463657853 YAMXGGFITCOWBA-UHFFFAOYSA-N 427.379 4.098 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@@H]2CCCCC23CCCC3)cc(Br)cc1[N+](=O)[O-] 463973520 MIDPGVBRDFPUGD-MRXNPFEDSA-N 438.322 4.223 5 20 IIBD O=C(Nc1cc(Cl)c(Cl)cc1F)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 466574391 PHPWIGIMSCBASQ-GFCCVEGCSA-N 432.260 4.346 5 20 IIBD COC(=O)COc1ccc(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])c2ccccc12 468934665 JADFNCXOFMABME-UHFFFAOYSA-N 426.450 4.274 5 20 IIBD Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(-n2cc(Cl)cn2)n1 469858392 FDDZSVCRJPOWEX-UHFFFAOYSA-N 439.781 4.086 5 20 IIBD NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 471408999 JFFOXSUFRYVXSF-YFROIQMUSA-N 445.928 4.125 5 20 IIBD O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 472285248 DEBVNVHIDDTBEH-NRFANRHFSA-N 433.855 4.348 5 20 IIBD COc1ccc(CN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C(C)(C)C)c(OC)c1 472476930 OHUHFSWGRSPFIP-UHFFFAOYSA-N 432.473 4.070 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 475824276 AJHCIMPKBLXADW-UHFFFAOYSA-N 442.318 4.024 5 20 IIBD O=C1C[C@H](C(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)c2ccccc21 475933066 LIIUYQXPIMNHEJ-SFHVURJKSA-N 428.404 4.349 5 20 IIBD Cn1cnc([N+](=O)[O-])c1CSc1nnc(Cc2cccs2)n1CCc1ccccc1 476477280 UTOZWLANDKJXBC-UHFFFAOYSA-N 440.554 4.107 5 20 IIBD COc1ccc(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)cc1I 477739410 BRWLRBSRXVHWHU-UHFFFAOYSA-N 449.204 4.009 5 20 IIBD COCCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc2ccccc2s1 477849564 UDGCBYRFGJATLS-UHFFFAOYSA-N 426.498 4.098 5 20 IIBD CN(C)C(=O)Nc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cc1 478574391 GINJZVZSMUJLRO-UHFFFAOYSA-N 434.452 4.411 5 20 IIBD O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 482351731 QRDBGFUSUXWREZ-IVZQSRNASA-N 438.871 4.492 5 20 IIBD CC[C@H](CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Oc1ccccc1Cl 482635134 UHLDGBMEUULPDP-MRXNPFEDSA-N 428.876 4.236 5 20 IIBD CCCCn1ncc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c1C(C)C 482721809 KWXKKYXUMFDJCW-OAHLLOKOSA-N 433.534 4.020 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 483650359 HCEGOFXFQXKVAA-VIFPVBQESA-N 447.316 4.031 5 20 IIBD CSc1cccc(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)c1[N+](=O)[O-] 485521077 UMVVWHUOSOFGNZ-OAHLLOKOSA-N 427.448 4.368 5 20 IIBD CC(C)(C)c1ccc(C(=O)N[C@@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 488349766 OEXRRAYOBMGQSJ-HXUWFJFHSA-N 437.418 4.042 5 20 IIBD COc1ccc(CN2CCC(CNC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])CC2)cc1 488544573 NXTZIMBEJJVTGD-UHFFFAOYSA-N 440.544 4.050 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CCC[C@@H]1c1cccc(F)c1 488910251 HRIRIMXJWZUFPN-CQSZACIVSA-N 429.267 4.022 5 20 IIBD O=C(N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 490765227 WNRXJRBWHSOBBI-SFHVURJKSA-N 434.374 4.152 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 490823292 FBKYCIFBODWCKE-HNNXBMFYSA-N 435.402 4.218 5 20 IIBD C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1ccc(NC(=O)c2ccc(F)cc2)cc1 491230464 CMTFRJXPAWGEQZ-LBPRGKRZSA-N 440.406 4.199 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CCN2CCCC[C@H]2C)CC1 492352928 FYAMZFJBPVLOKP-GOSISDBHSA-N 449.617 4.450 5 20 IIBD CCCc1csc(NC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])n1 503915276 AEQWZCPTQDJPBO-UHFFFAOYSA-N 434.499 4.300 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2ncnc3sccc23)CC1 505741842 KVKFHRIGYGBCFO-UHFFFAOYSA-N 443.554 4.064 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1ccc(F)cc1OCCC(F)(F)F 505834916 YLWMPLBMTBDCHH-UHFFFAOYSA-N 441.341 4.263 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(CN2CCO[C@@H](C)C2)c1 505952369 HISDFXRHPQSTRL-KRWDZBQOSA-N 443.569 4.248 5 20 IIBD COc1ccc(-c2nc(C)c([C@@H](C)NS(=O)(=O)c3ccc(C)cc3[N+](=O)[O-])s2)cc1 506255225 QMLOZGNCYCDYDU-CQSZACIVSA-N 447.538 4.383 5 20 IIBD CC(C)c1[nH]nc(C(=O)N2CCC(C)(c3cccc(Br)c3)CC2)c1[N+](=O)[O-] 509312085 YFSAOVQUEVNOCT-UHFFFAOYSA-N 435.322 4.398 5 20 IIBD O=C(Nc1ccccc1)N1CC[C@H](Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 509429439 KMWAZLFMJZFMOB-IBGZPJMESA-N 433.468 4.287 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2cc(Br)ccc2Cl)CC1 509766432 NSMSHDRUIMBNTN-UHFFFAOYSA-N 444.738 4.030 5 20 IIBD O=C(Cc1ccccc1)N1CCC[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 509945788 UKPULGHKJXIAMG-LJQANCHMSA-N 436.537 4.042 5 20 IIBD O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 511832407 QDAHCBMGPWFACH-SFHVURJKSA-N 448.445 4.192 5 20 IIBD COCCNC(=O)c1cccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1 512903638 CSWDPPWKLJAFGM-UHFFFAOYSA-N 429.860 4.497 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(NC(=O)CC(F)(F)F)cc2)c([N+](=O)[O-])cc1OC 513026602 RZVXPPIPIQQPHL-UHFFFAOYSA-N 441.362 4.145 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)cc([N+](=O)[O-])c1 515594813 CXPTWQACOGBDQV-UHFFFAOYSA-N 436.468 4.392 5 20 IIBD C[C@H]1CN(c2ccccc2NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C[C@H](C)O1 515616722 IRRBAIWQWCLTJN-OALUTQOASA-N 441.531 4.407 5 20 IIBD Cn1c([C@H]2CCCCN2C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)nc2ccccc21 517755784 ATWOUCSHFGSRFA-OAQYLSRUSA-N 433.512 4.449 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3C[C@H](c4ccccc4)O[C@H](C)C3)cc2)c(C)c1[N+](=O)[O-] 517931949 AULGZCGYFJWMOA-OPAMFIHVSA-N 434.496 4.059 5 20 IIBD C[C@@H](Cc1ccc(C(F)(F)F)cc1)Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] 518268202 UGKPXRSGUCEMKC-AWEZNQCLSA-N 437.418 4.129 5 20 IIBD O=[N+]([O-])c1ccc(-n2ccc(-c3nc(-c4cccc(CN5CCCCC5)c4)no3)n2)cc1 518343566 KGWSHJOKSMIVBE-UHFFFAOYSA-N 430.468 4.483 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](c2ccc(Br)cc2)C1 518617896 VYBVWSZOFPUGOT-IBGZPJMESA-N 448.317 4.150 5 20 IIBD CCC(CC)[C@H](O)CNc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] 521370940 VCAUJMBIDFREJK-OAQYLSRUSA-N 435.546 4.221 5 20 IIBD COc1cc(C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc2)c([N+](=O)[O-])cc1OC 521539681 RNZITKYJEOPECQ-UHFFFAOYSA-N 436.420 4.188 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](Cc1ccc(C)cc1)c1ccccn1 522380208 ZOEFYBLGPBVRPP-UTKZUKDTSA-N 434.496 4.207 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCCc2ccc3ccccc3c2)ccc1[N+](=O)[O-] 523252915 HGXXFURRVYQKGD-QHCPKHFHSA-N 431.492 4.020 5 20 IIBD Cc1ccc(NCCCNC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 525318856 ATWOJRNGSYMJJS-IBGZPJMESA-N 440.500 4.023 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)nnc1-c1ccc(C)cc1 532272333 KNEUUTLHRMQJBK-AWEZNQCLSA-N 441.513 4.310 5 20 IIBD Cc1c(C(=O)N2CCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)CC2)sc2ccccc12 534257566 QSPQUDLEDPTEBA-UHFFFAOYSA-N 448.504 4.197 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1cnc2ccc(F)cc2c1)c1ccccc1[N+](=O)[O-] 535370952 RLHUZPHNADMKGM-IBGZPJMESA-N 425.416 4.095 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@H](Oc2cccc(Cl)c2)C1 536261528 CVAHELPDCZSTBT-CQSZACIVSA-N 425.666 4.304 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)Nc3cncnc3-n3cccn3)cc2[N+](=O)[O-])cc1 537461498 UCGLGAGDQGZPSH-UHFFFAOYSA-N 432.465 4.282 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N[C@H]2CCc3c(O)cccc32)c([N+](=O)[O-])c1 538095712 VKACDASPFOAVJF-IBGZPJMESA-N 432.432 4.417 5 20 IIBD Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 538832786 KXEASEQSDZGHDE-UHFFFAOYSA-N 444.476 4.093 5 20 IIBD COc1ccc([C@@H](OC)[C@@H](C)NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 539029915 HCPZOGYGEWQFEL-DIFFPNOSSA-N 425.388 4.103 5 20 IIBD C[C@H](CC(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1)NC(=O)C1CCCCC1 539356025 WHUGLSVWDTYATA-CQSZACIVSA-N 430.530 4.156 5 20 IIBD CC(C)CN(C(=O)CCNC(=O)C(C)(C)C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 540454837 ZWIDKRIHXYAZQH-UHFFFAOYSA-N 432.546 4.260 5 20 IIBD CS(=O)(=O)Nc1cccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1 540516516 DHOUIHNICAIYJX-UHFFFAOYSA-N 435.889 4.170 5 20 IIBD C[C@H](N[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1nc(C(C)(C)C)no1 541680730 JASISZWUGPDEHT-NEPJUHHUSA-N 444.517 4.077 5 20 IIBD C[C@H](C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl)c1ccc([N+](=O)[O-])cc1F 542557439 WJWWWFTZGHBIJM-VIFPVBQESA-N 435.761 4.100 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCC(CCCn4ccnc4)CC3)cc2[N+](=O)[O-])CC1 544023863 LDVFJRPORFQSND-UHFFFAOYSA-N 439.560 4.360 5 20 IIBD O=C(NCCCc1nc(-c2ccc(F)cc2)no1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 544061033 DZFYNZWFWKUXMU-UHFFFAOYSA-N 438.337 4.165 5 20 IIBD CCN(CC)[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1cccc(OC)c1 546579246 LDUNFHDQARFKHN-NRFANRHFSA-N 431.508 4.219 5 20 IIBD O=C1CCc2cc(-c3nc(Cc4ccc([N+](=O)[O-])cc4Br)no3)c(F)cc2N1 547155858 GONOXPHWJKADNR-UHFFFAOYSA-N 447.220 4.022 5 20 IIBD COc1cc(-c2nc(-c3ccc(N4CCCN(C)CC4)c(Cl)c3)no2)ccc1[N+](=O)[O-] 547190611 XCDIAKFZTNRVRK-UHFFFAOYSA-N 443.891 4.116 5 20 IIBD COc1ccc(CC(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)cc1[N+](=O)[O-] 548294078 MSNJVOLETLPMHB-MRXNPFEDSA-N 434.876 4.386 5 20 IIBD CC[C@H](NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccccc1OCC(=O)N(C)C 549928661 WYTPRFPLVFSFFI-SFHVURJKSA-N 439.434 4.322 5 20 IIBD O=C(CCNC1(Cc2ccc(F)cc2Cl)CCOCC1)Nc1ccccc1[N+](=O)[O-] 550032533 PQNGRHHKJUQRHS-UHFFFAOYSA-N 435.883 4.097 5 20 IIBD O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 550060699 HCFLCTZLMVUXDV-FQEVSTJZSA-N 427.888 4.007 5 20 IIBD COCCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1OC 552641552 GQDSRCCRIJTYMT-UHFFFAOYSA-N 428.363 4.290 5 20 IIBD O=C(N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1ccc(Cl)cc1[N+](=O)[O-] 561427706 YOOGFGKIUSQKFV-SFHVURJKSA-N 428.794 4.399 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CCCN(CC(F)F)CC2)cc1 564005908 INVONRJPIVVQJF-UHFFFAOYSA-N 441.482 4.220 5 20 IIBD C[C@@H](C(=O)Nc1nccn1Cc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 564205818 QZVHTTZDCRGMMV-CYBMUJFWSA-N 429.274 4.344 5 20 IIBD CC(C)(C)Oc1ccc(-c2noc(-c3ccc(N4C(=O)CCC4=O)c([N+](=O)[O-])c3)n2)cc1 570432510 SFWJEUVWQMGLSG-UHFFFAOYSA-N 436.424 4.143 5 20 IIBD C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 572750991 SILPHZAQRFZIEM-CYBMUJFWSA-N 438.513 4.184 5 20 IIBD Cn1ccnc1[C@@H](NCCc1cnc(SC2CCCC2)nc1)c1ccc([N+](=O)[O-])cc1 573151832 WSLIFRLUWWJDKO-FQEVSTJZSA-N 438.557 4.075 5 20 IIBD Cc1cc(Br)c(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1Cl 579507112 AOAPLVHZDIHVBY-NSHDSACASA-N 439.697 4.041 5 20 IIBD Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 581279508 GDBVTCKTSPMERX-UHFFFAOYSA-N 426.473 4.314 5 20 IIBD Cc1nn(CCC(=O)N2CCC(C)(C)c3ccc(Br)cc32)c(C)c1[N+](=O)[O-] 582492127 RSFXRMBEZKYUBW-UHFFFAOYSA-N 435.322 4.275 5 20 IIBD CCOc1cc(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCC2)c([N+](=O)[O-])cc1OC 603758318 UDMXWTRPHUISQA-UHFFFAOYSA-N 447.875 4.144 5 20 IIBD COCCOCc1cccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c1 604098402 BCYNRBWQEGOWKI-ROUUACIJSA-N 441.528 4.492 5 20 IIBD C[C@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Oc2ccccc2)c(F)c1 604181767 WBDGEKDZSHAXEH-HNNXBMFYSA-N 437.427 4.133 5 20 IIBD O=C(c1cc([N+](=O)[O-])c[nH]1)N(Cc1ccccn1)Cc1ccc(Br)cc1F 604482577 ORVUPBKCNUKLNH-UHFFFAOYSA-N 433.237 4.062 5 20 IIBD O=C(N[C@H]1C[C@@H]1c1cccc(Br)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 608809470 JHTMMRQOLVCMRS-MSOLQXFVSA-N 444.329 4.246 5 20 IIBD Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 608962069 SSALXHAXGGKKTC-MRXNPFEDSA-N 449.511 4.143 5 20 IIBD COc1ccccc1-c1nc(C(=O)Nc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)cs1 608963099 KOCDQENFGBKTSW-UHFFFAOYSA-N 435.465 4.473 5 20 IIBD COc1ccccc1[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 609374013 DRXDVOKXJPAWGV-HSZRJFAPSA-N 428.448 4.309 5 20 IIBD Cc1sc(NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])nc1-c1ccccc1 609391630 JMIGCXGVQBXXLT-UHFFFAOYSA-N 430.873 4.049 5 20 IIBD COc1cccc(CN(C)C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c1 609853257 IBSXDADHZYZGFL-UHFFFAOYSA-N 435.267 4.368 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2C[C@H](c3ccc(F)cc3)C[C@H]2C)ccc1[N+](=O)[O-] 609909314 CBEHKMNRKSHEAQ-ZWDAVXSWSA-N 439.487 4.052 5 20 IIBD Cc1ccccc1[C@@H]1C[C@@H](C)N(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 610006173 ZWRWGHSWJRSUBN-ZIAGYGMSSA-N 439.331 4.232 5 20 IIBD COc1cc(C(=O)N2CCC(Nc3cccc(C)c3)CC2)c([N+](=O)[O-])cc1OC(F)F 610159264 QUVNBVVOVUWXSC-UHFFFAOYSA-N 435.427 4.230 5 20 IIBD CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 610210309 IQDMQLOCMQJXGC-GHTZIAJQSA-N 447.944 4.277 5 20 IIBD O=C(NCc1c(C(=O)O)sc2ccccc12)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 610851820 FVHNUGDNRDWHFX-UHFFFAOYSA-N 425.466 4.038 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCc2sc(Br)cc2C1 610990252 WPQRPLCNNADYFQ-VIFPVBQESA-N 444.738 4.458 5 20 IIBD COCCNC(=O)C1CCN(Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 611253742 NQWVSHWDISNGRK-UHFFFAOYSA-N 443.569 4.029 5 20 IIBD CN(Cc1ccccc1)[C@@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 618832211 QPXGJTYICZQIIT-GOSISDBHSA-N 436.434 4.030 5 20 IIBD CCN(C(=O)c1cc(OC)c(OCCOC)cc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 619564316 HUDNYSOHDNIEEJ-UHFFFAOYSA-N 432.517 4.060 5 20 IIBD O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1cc2ccccc2c2cccnc12 642519010 VANZEBFVDFTVQB-XMMPIXPASA-N 429.495 4.330 5 20 IIBD C[C@@H](OC(=O)c1csc(-c2c(F)cccc2F)n1)C(=O)Nc1ccccc1[N+](=O)[O-] 726217798 BQKRJEUBFIGDTM-SNVBAGLBSA-N 433.392 4.181 5 20 IIBD O=C(OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1csc(-c2ccccc2Cl)n1 727563306 LSMDWMHZIJSWKE-UHFFFAOYSA-N 443.868 4.118 5 20 IIBD CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(I)c([N+](=O)[O-])c1 727749373 FVVPACIAQWDFDY-ZDUSSCGKSA-N 442.278 4.411 5 20 IIBD C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 728388395 QAGHJSCSAUPAQH-INIZCTEOSA-N 432.908 4.003 5 20 IIBD O=C(OCc1cc2ccccc2nc1Cl)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 733558932 ONJKPCFWBHCAKP-HNNXBMFYSA-N 445.884 4.206 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)Oc3ccc(OCC(N)=O)cc3)cc2[N+](=O)[O-])cc1 739636513 AGAGSWWNMUJHKA-UHFFFAOYSA-N 438.461 4.138 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3cnc(-c4ccccc4)nc3)CC2)ccc1[N+](=O)[O-] 744204027 NCUCEYHYNZYDQO-UHFFFAOYSA-N 448.479 4.276 5 20 IIBD COc1ccc(OCCOC(=O)c2cc(NC(=O)C(C)C)ccc2Cl)c([N+](=O)[O-])c1 745186629 MZHJONWUBUDWPR-UHFFFAOYSA-N 436.848 4.087 5 20 IIBD COc1ccc(CSCC(=O)O[C@@H](C)c2nc(-c3ccccc3C)no2)cc1[N+](=O)[O-] 746065790 WKGPCXLLVKPKTN-AWEZNQCLSA-N 443.481 4.499 5 20 IIBD O=C(CCc1ccc(Br)cc1)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 748921750 YFAIIPVUOUIHAD-UHFFFAOYSA-N 432.230 4.083 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OC[C@H]1CCCN(C(=O)c2ccccc2)C1 749073920 IXOGWCPWQHBQFY-IRXDYDNUSA-N 428.510 4.171 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OC[C@H]1CCCN(C(=O)c2ccccc2)C1 749073923 IXOGWCPWQHBQFY-SJORKVTESA-N 428.510 4.171 5 20 IIBD O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccc(OCC(F)(F)F)cc1 749359450 SATIYMFFFUOABM-UHFFFAOYSA-N 439.390 4.004 5 20 IIBD O=C(Nc1ccc2oc3ccccc3c2c1)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 751207648 DWUGZJLTZDYXMC-UHFFFAOYSA-N 435.348 4.426 5 20 IIBD Cc1nn(C(C)(C)C)cc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 752176591 GXQPWJJWESGJHL-LLVKDONJSA-N 442.394 4.058 5 20 IIBD COC(=O)c1cc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(C)c([N+](=O)[O-])c1 753124571 CYCRKZOLYKBZOM-UHFFFAOYSA-N 430.417 4.041 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CCO[C@H](c2ccccc2Cl)C1 753820613 PVYARKRQWMGZFQ-HNNXBMFYSA-N 425.666 4.224 5 20 IIBD CC[C@@H]1CN(c2ncc([N+](=O)[O-])c(C)c2Br)CC[C@@H]1NC(=O)OC(C)(C)C 754060500 PHMPCUFCTJKQFI-OLZOCXBDSA-N 443.342 4.190 5 20 IIBD C[C@@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 754320069 SDRKBDAVLRWGCR-WBVHZDCISA-N 430.505 4.375 5 20 IIBD C[C@H]1COCCN(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)C1 754649814 HPOAFLAIAWRALD-CYBMUJFWSA-N 437.855 4.358 5 20 IIBD Cc1ccc(NC(=O)COC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c(Cl)c1 755280247 VRHUUBYSVDVWQW-UHFFFAOYSA-N 441.665 4.044 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H](c1ccccc1)C1CCOCC1 755328497 ZIUBPOZGTKKJPV-HXUWFJFHSA-N 433.302 4.184 5 20 IIBD C[C@@H]1CC(OC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C[C@@H](C)O1 756032715 PVFZVJLUKHVEKW-CHWSQXEVSA-N 430.423 4.329 5 20 IIBD CC[C@@H]1CC[C@@H](C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)O1 757120880 AALDJTHTHQUUEQ-MNEFBYGVSA-N 432.860 4.429 5 20 IIBD C[C@@H](NC(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1)c1ccc[nH]1 760356865 PMDQGQDHRJEOMG-MRXNPFEDSA-N 439.541 4.240 5 20 IIBD COc1ccc(Br)c(CC(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1 760537343 LZSNVSVZGSNIPB-UHFFFAOYSA-N 447.241 4.307 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CN3CCN(Cc4cccc5cccnc45)CC3)co2)cc1 760814819 GQVPBZKSKIVSFZ-UHFFFAOYSA-N 429.480 4.116 5 20 IIBD Cc1nn(CN2CCO[C@@H](c3ccccc3Br)C2)c2cc([N+](=O)[O-])ccc12 761292301 YUAJMIPUFWVQMT-LJQANCHMSA-N 431.290 4.046 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1nc2ccccc2s1 762540244 FFQWZTCHULPACY-LBPRGKRZSA-N 445.522 4.351 5 20 IIBD CSc1ccc(-c2nc(C[C@@](O)(c3ccc(C)o3)C(F)(F)F)no2)cc1[N+](=O)[O-] 763310578 XOKGTGFMILCUNH-MRXNPFEDSA-N 429.376 4.261 5 20 IIBD O=C(NCc1nc(Cc2ccccc2)no1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 764006715 LZAXSNBBDGUXRO-UHFFFAOYSA-N 443.463 4.111 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCc3c(F)ccc(F)c3C2)c1=S 765066886 HJYNJHADINVVNI-UHFFFAOYSA-N 431.468 4.303 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)Nc1nc(-c2ccccc2)cs1 766221867 DRLROOJFWHTIHL-CYBMUJFWSA-N 448.460 4.451 5 20 IIBD CN(C)CCCC1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)CC1 767129669 UQHZTALPTXQXOK-UHFFFAOYSA-N 432.746 4.205 5 20 IIBD C[C@@H](Sc1nnc(CCCc2ccccc2)o1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 768399844 XAFZOCMZUQTOBQ-CYBMUJFWSA-N 430.461 4.412 5 20 IIBD CC(=O)[C@@H](Cc1ccc(F)cc1F)OC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 768598975 SUIAITRQMHOWFP-QGZVFWFLSA-N 447.312 4.171 5 20 IIBD COc1cc(/C=C(\Cl)c2nnc(C(=O)NCc3ccccc3)s2)ccc1[N+](=O)[O-] 770570494 CHTTZRQJJGAXMR-ZROIWOOFSA-N 430.873 4.122 5 20 IIBD CCCCc1ccc(NC(=O)Cc2noc([C@@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)n2)cc1 770994624 ULMBPYSRTIZXJU-FQEVSTJZSA-N 449.467 4.367 5 20 IIBD O=C(CSCc1nc(O)c2c3c(sc2n1)CCCC3)Oc1cc(F)cc([N+](=O)[O-])c1 771483839 LAKVXLNRTBIJBS-UHFFFAOYSA-N 449.485 4.162 5 20 IIBD CCCc1nc(C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)nn1-c1ccccc1Cl 773993768 MPEUTBWDCCYJGE-UHFFFAOYSA-N 425.876 4.293 5 20 IIBD CC(C)(C)OC(=O)N1CCC(COC(=O)c2sc(Br)cc2[N+](=O)[O-])CC1 774069414 OMPBADDQHBBPMN-UHFFFAOYSA-N 449.323 4.223 5 20 IIBD Cn1ccnc1C(=O)c1ccc(Oc2cc(Cl)cnc2Br)c([N+](=O)[O-])c1 774716207 PFXXSIMDQVNSJT-UHFFFAOYSA-N 437.637 4.163 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c(OC)c1 775084362 CYWQGKSYLAFKKB-CYBMUJFWSA-N 448.497 4.297 5 20 IIBD O=C(COc1cccc(Br)c1)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776139213 OMEGBLRKUKZZQT-FQEVSTJZSA-N 443.253 4.464 5 20 IIBD O=C(O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 778787465 NCOARDPKXKCTAR-KRWDZBQOSA-N 440.437 4.062 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1 779702435 DDZDNRKKGWWKNT-SFHVURJKSA-N 437.412 4.311 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2nnc(S)n2C2CC2)C1 780501428 KGOMMVRIBGEPDL-CYBMUJFWSA-N 447.586 4.332 5 20 IIBD COc1ccc(-c2csc(CNC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1 781694393 YRKAGXVPKWFSCJ-UHFFFAOYSA-N 441.465 4.489 5 20 IIBD CC(C)c1nc([C@@H]2CCCCCN2C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])no1 781849354 FUCQEDSTAHICLW-INIZCTEOSA-N 431.449 4.086 5 20 IIBD O=[N+]([O-])c1ccn(C2CCN(Cn3nc(-c4cccc5ccccc45)oc3=S)CC2)n1 782868276 CCGVWELWBUJYRV-UHFFFAOYSA-N 436.497 4.425 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 784183285 AWFIATXWECSQOO-HMXCVIKNSA-N 436.512 4.264 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl 785252969 OGYPRAMLEIHPOF-KRWDZBQOSA-N 447.923 4.020 5 20 IIBD CCOC(=O)N1[C@@H](C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@@H]1c1ccc(C)o1 786143653 BIHHYVYZWZKXCD-HZPDHXFCSA-N 443.412 4.043 5 20 IIBD C[C@@H]1[C@@H](C(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C 786458524 AZBVBFVKMGOAMB-OXFYSEKESA-N 441.484 4.268 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)OCc1csc(Nc2ccccc2)n1 786781205 CPZWQTPTSMXRPH-UHFFFAOYSA-N 436.449 4.465 5 20 IIBD O=C(NC[C@@H](O)c1cc(F)cc(Cl)c1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 787815411 BCAJZYRLKQSWHC-OAQYLSRUSA-N 444.846 4.430 5 20 IIBD COc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=N)NOCc2ccc([N+](=O)[O-])cc2F)cc1 789632098 IRKAIAHCPYOPQZ-GOSISDBHSA-N 448.451 4.007 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(=S)Nc1ccc([N+](=O)[O-])cc1)CC2 790330783 GRTSOPVQHNKEKX-UHFFFAOYSA-N 434.562 4.405 5 20 IIBD COc1ccc(NC(=O)[C@@H](OC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 791404026 BNKNXTHAPSZCFE-KUHUBIRLSA-N 432.498 4.291 5 20 IIBD O=C(Nc1ccc(OC(=O)[C@@H](O)Cc2ccccc2)cc1)c1cc([N+](=O)[O-])ccc1Cl 792874013 RJZDITFONHWTNO-FQEVSTJZSA-N 440.839 4.010 5 20 IIBD CCN(C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@H](C)Cc1ccc(OC)cc1 793035524 HYYCECDIJXPWAB-MRXNPFEDSA-N 441.528 4.319 5 20 IIBD CCC(=O)c1ccc(N2CCC(CNC(=O)OCc3ccccc3)CC2)c([N+](=O)[O-])c1 795172517 UJPNDGNOHGSEKO-UHFFFAOYSA-N 425.485 4.330 5 20 IIBD O=C(Cc1noc(-c2cc([N+](=O)[O-])ccc2N2CCCCC2)n1)Nc1ccccc1Cl 795695256 HQWIXOYTDSIQQL-UHFFFAOYSA-N 441.875 4.470 5 20 IIBD O=C(NC1CCCCC1)OC[C@@H]1CCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 796684272 RLABPBONVFQEST-FQEVSTJZSA-N 428.489 4.273 5 20 IIBD CN(CC(=O)Nc1ccccc1OCC(F)F)c1cc(Br)ccc1[N+](=O)[O-] 797249748 KIIGGPVIPJLULU-UHFFFAOYSA-N 444.232 4.076 5 20 IIBD O=c1oc2cccc([N+](=O)[O-])c2n1CN1CCC[C@H]1c1ccc(Br)c(F)c1 797413001 FZEPCKIZVCWOQW-AWEZNQCLSA-N 436.237 4.199 5 20 IIBD COc1cc(C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)c([N+](=O)[O-])cc1OC 800582989 JROKGLYLUQUMDD-UHFFFAOYSA-N 444.425 4.204 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(NS(=O)(=O)c2cc(F)c(Br)cc2F)c1 800930183 GOIHZJXTHIWODV-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD Cc1nc2cccc(C(=O)N3CCCC[C@@H]3CCOC(=O)c3cccc([N+](=O)[O-])c3)c2[nH]1 801826041 HDNAHWNZMVSYGQ-QGZVFWFLSA-N 436.468 4.021 5 20 IIBD Cc1ccc([C@H](C)NC(=O)[C@@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] 808487568 CIKPMBYLTLILNP-ORAYPTAESA-N 445.438 4.270 5 20 IIBD C[C@@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C(=O)C1(c2ccccc2)CC1 808526333 OJOVRRHXSQYLDD-CYBMUJFWSA-N 432.270 4.132 5 20 IIBD O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 809915048 RFRBMJWBEQOCPM-NSHDSACASA-N 438.271 4.179 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811217088 QJCPPZXYEPJTMD-SJORKVTESA-N 447.513 4.455 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(C(=S)Nc3ccc([N+](=O)[O-])cc3)CC2)C1 811714233 IPVJJJVQPRSRMZ-MRXNPFEDSA-N 434.562 4.261 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F 813246327 IBOIXJMPOOBZFX-UHFFFAOYSA-N 429.717 4.239 5 20 IIBD Cc1ccc(NC(=O)c2nnc(COC(=O)c3cc([N+](=O)[O-])c(C)cc3Cl)s2)cc1 815407925 OAKDRWAHYXLEKG-UHFFFAOYSA-N 446.872 4.326 5 20 IIBD O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)c1cc([N+](=O)[O-])ncc1Br 823742543 RFOKKYJTKSQGME-INIZCTEOSA-N 436.262 4.472 5 20 IIBD Cc1ccc(C)c(OCc2nnc(S[C@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)o2)c1 849129274 MURRPXOLISWBOS-CYBMUJFWSA-N 446.460 4.432 5 20 IIBD CN(C(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1)C1CCCC1 873346522 WMAHTXUESRKNJU-UHFFFAOYSA-N 437.905 4.064 5 20 IIBD COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 916190780 MUIVSQJWIJHXPA-GOSISDBHSA-N 429.523 4.020 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cc(N2CCCC2=O)ccc1F 917796849 DEKNSJMHUITCNF-UHFFFAOYSA-N 429.451 4.059 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)c1cccc(NC(=O)c2ccccc2)c1 918574295 VJWPMCNPWZRAMJ-MRXNPFEDSA-N 432.480 4.404 5 20 IIBD CCCc1noc2nc(-c3ccco3)cc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)c12 920680728 LOLBGSWAVOSUDF-UHFFFAOYSA-N 435.392 4.383 5 20 IIBD CCc1ccc(-c2nnc([C@@H](CCSC)NC(=O)c3cccc([N+](=O)[O-])c3)o2)cc1 1341326827 GKUXPXOVJPZFOQ-GOSISDBHSA-N 426.498 4.431 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3n[nH]cc3[N+](=O)[O-])CCC2)cc1)c1cc2ccccc2o1 1789005038 SISXWFNDBTWZAZ-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD CC(=O)CCC(=O)NC1(c2ccc(NC(=O)c3c(F)ccc([N+](=O)[O-])c3C)cc2)CCC1 1790770443 CEWLYVOTFOFUGA-UHFFFAOYSA-N 441.459 4.159 5 20 IIBD Cc1scc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2cccc([N+](=O)[O-])c2)c1C 1793940831 PJHLQYHRBDCNAQ-REPLKXPHSA-N 441.553 4.158 5 20 IIBD CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n[nH]1 1821609589 HNBLCCPIXYDJBQ-HNNXBMFYSA-N 427.486 4.249 5 20 IIBD CCCCC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 1829836123 QZVYRYXKENMHOI-XLIONFOSSA-N 432.565 4.373 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)N[C@H](C)c2nc3ccccc3n2C(F)F)cc1[N+](=O)[O-] 14099231 LOILOHOIMXBQBX-SNVBAGLBSA-N 444.847 4.341 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc2c(c1)Cc1ccccc1-2 14934176 HIZYQARYFIEBQS-UHFFFAOYSA-N 429.432 4.493 5 20 IIBD Cc1nc(-c2ccccc2)ccc1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 16166250 PCPPTGKBMJNLCG-UHFFFAOYSA-N 425.828 4.414 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)c2cc(C)n(CC(F)(F)F)c2C)c1 16196763 XBMHNPUXODOYIX-UHFFFAOYSA-N 430.404 4.337 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(C)(C)C)cc1 16643526 QHCCDBXNIQKWHK-LJQANCHMSA-N 429.542 4.383 5 20 IIBD CC(C)CCNC(=O)[C@@H](C)OC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 22669982 VCPJGCJICPCJDU-CQSZACIVSA-N 446.887 4.187 5 20 IIBD C[C@@H](OC(=O)CSc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(C(F)(F)F)c1 25068396 NNFOCOVNJFSQTQ-LLVKDONJSA-N 428.388 4.276 5 20 IIBD CC(C)Cc1noc(CN2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)n1 59038995 SMNMPBHVDYYXIO-UHFFFAOYSA-N 441.557 4.223 5 20 IIBD CC(C)Oc1ccc(CCNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 61444818 YMHVPYXZIVCVEW-UHFFFAOYSA-N 426.391 4.296 5 20 IIBD COc1ccc(NC(=O)CCN2CCC(Oc3cc(C)ccc3C)CC2)c([N+](=O)[O-])c1 64631577 DRGBHNUBHVSQIU-UHFFFAOYSA-N 427.501 4.092 5 20 IIBD Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C 69066236 UGDSCQRMSXXTLS-KRWDZBQOSA-N 445.903 4.125 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-])c1ccccn1 108751724 BSUWRYQICIBQMU-SBUREZEXSA-N 433.512 4.196 5 20 IIBD CCc1cc(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 301061866 CJANRAVNMMOSFU-KRWDZBQOSA-N 437.544 4.089 5 20 IIBD Nc1nc(Sc2nnc(-c3ccc(Cl)cc3)n2Cc2ccccc2)ncc1[N+](=O)[O-] 301153760 MGLOMDQMQYJUPV-UHFFFAOYSA-N 439.888 4.078 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCc1coc(-c2ccccc2)n1 301450682 XEHIYUORDMAEPO-UHFFFAOYSA-N 442.497 4.037 5 20 IIBD Cc1ccccc1-n1nc(C)c(CN(C)c2ccc([N+](=O)[O-])cc2N2CCOC2=O)c1C 302622329 DTCZRDHLIAIEGU-UHFFFAOYSA-N 435.484 4.299 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CN3CCCC[C@H]3c3nc(-c4ccccc4)no3)n2)c1 303154194 NJLSFJBAJYYDDT-SFHVURJKSA-N 432.440 4.422 5 20 IIBD C[C@@H]1C[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCN1Cc1ccccc1 431495815 KVWOJTSAMUWVMZ-RDTXWAMCSA-N 432.318 4.140 5 20 IIBD COc1ccc([C@H]2CCCN2C(=O)c2cc(Br)cc([N+](=O)[O-])c2)c(OC)c1 431768739 MGKPSECBXSUXGY-QGZVFWFLSA-N 435.274 4.352 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCCCN3CCCO[C@@H](C)C3)c([N+](=O)[O-])c2)cc1 432874152 AUBKYUWQJPDLNL-SFHVURJKSA-N 426.517 4.068 5 20 IIBD CN(C)[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C1CCCCC1 436106571 GMKQNWYSYQIFFY-NRFANRHFSA-N 427.495 4.200 5 20 IIBD C[C@@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1cccc(N2CCCC2=O)c1 436306296 ICMNYAXWBZQWMW-OAHLLOKOSA-N 443.478 4.438 5 20 IIBD O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1cc([N+](=O)[O-])ccc1O 436675783 XQZFJELBBQYGMB-UHFFFAOYSA-N 447.856 4.007 5 20 IIBD CC(C)(NC(=O)C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1)c1ccccc1[N+](=O)[O-] 436777176 BQAWTYBKKCSUIQ-OAQYLSRUSA-N 447.491 4.213 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(CO[C@@H]2CCC[C@H](C)C2)c1 438721378 KSVDQAGQGJFOKI-HNAYVOBHSA-N 441.484 4.276 5 20 IIBD CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 440466223 AGKRZQIJLTVRSC-JKSUJKDBSA-N 427.526 4.123 5 20 IIBD O=C(Nc1cccc(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)c1)c1ccc(F)cc1 440630678 ZKDXNESNBFTYIB-UHFFFAOYSA-N 430.395 4.787 5 20 IIBD CCCN(C(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 441463561 KPXLRYQXUXOKQT-KRWDZBQOSA-N 445.541 4.072 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(CCSc3ccc4c(c3)OCCCO4)n2)c1 445576514 WHJQNZXTCHRKCV-UHFFFAOYSA-N 443.481 4.073 5 20 IIBD CCN(C(=O)Cc1noc(-c2cc(Br)c(C)c([N+](=O)[O-])c2)n1)c1ccccc1 445687007 NAMRIQGTKFOYKG-UHFFFAOYSA-N 445.273 4.311 5 20 IIBD O=C(Nc1cccc(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1)C1CCCCC1 445728115 XNZQJBZAJRGMOE-UHFFFAOYSA-N 436.512 4.382 5 20 IIBD CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 446444936 PMZDHOYPMDSFTO-DEOSSOPVSA-N 442.462 4.011 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@@H](c1ccccc1)c1cccc(F)c1 446643868 IXFHCJXWQHQYNO-QHCPKHFHSA-N 449.438 4.328 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c(Br)c1 447009162 BCBNBSFAHYCLTB-UHFFFAOYSA-N 439.209 4.485 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(Cl)c3ccccc23)cc1[N+](=O)[O-] 462949775 WMGWZCKQICTQHH-GFCCVEGCSA-N 427.844 4.226 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCCN(c2ncnc3sccc23)C1 463139506 HNPIAQSHRSWPOT-QGZVFWFLSA-N 439.541 4.253 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C1(c2ccc(Br)cc2)CCOCC1 466501188 AORZXFNRAZITDY-UHFFFAOYSA-N 449.301 4.443 5 20 IIBD Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 466545366 QZKWEYQZYICIBY-UHFFFAOYSA-N 438.440 4.029 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NC[C@]3(C)CCO[C@@H]3C3CC3)cc2[N+](=O)[O-])n1 466843645 FRTFMERMDBQMJF-XLIONFOSSA-N 433.555 4.446 5 20 IIBD Cc1sc(S(=O)(=O)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)cc1[N+](=O)[O-] 467024480 OVDQONGMYKIXMB-LBPRGKRZSA-N 446.375 4.148 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1Oc1ccc(Cl)cc1 467989084 CCKUSHQYIAEQNH-UHFFFAOYSA-N 439.855 4.338 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 470128191 JREINNAEZMQYOB-UHFFFAOYSA-N 434.493 4.344 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 470724776 YNFASQFPSVMUMI-UHFFFAOYSA-N 438.509 4.261 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(I)ccc1C 471151364 LTNBKHDFLWIHAG-UHFFFAOYSA-N 426.210 4.159 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1cnn(-c2ccccc2)c1C(F)(F)F 473770315 SSZWFVPHTMWWPT-UHFFFAOYSA-N 434.378 4.033 5 20 IIBD COc1ccc(CN(C)C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1O 473915941 XQLPIGGNUJEMBK-HNNXBMFYSA-N 436.468 4.149 5 20 IIBD CC(C)(C)c1cc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)n(-c2ncccn2)n1 474857769 GIALDNVCTCDJBQ-UHFFFAOYSA-N 435.488 4.065 5 20 IIBD COc1ccc(Oc2cc(CNC(=O)N(C)CCc3ccccc3[N+](=O)[O-])ccn2)cc1 478765054 FTGDKOOSISURHF-UHFFFAOYSA-N 436.468 4.175 5 20 IIBD COC(=O)COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1 480685787 NINALQOWSQMAPC-UHFFFAOYSA-N 435.436 4.011 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 482101840 GQBRCFKEUDLYLV-UHFFFAOYSA-N 445.522 4.004 5 20 IIBD O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCC(C(F)F)CC1 484753423 OINDCNDOKIUYGR-UHFFFAOYSA-N 435.393 4.334 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 490431117 XXZHNVIGICEHCD-DYVFJYSZSA-N 444.431 4.073 5 20 IIBD O=C(N[C@H]1CCOC2(CCOCC2)C1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 491124190 RNYKYXGFVPMZBQ-KRWDZBQOSA-N 446.887 4.499 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@H]3CCC[C@@H]3OCc3ccccc3)cc2)c(C)c1[N+](=O)[O-] 491188921 RVWJKFUZSYEBJG-GOTSBHOMSA-N 448.523 4.324 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3nnc(-c4ccco4)s3)cc2[N+](=O)[O-])C1 491335139 XHMGAARCPZZEQW-STQMWFEESA-N 427.486 4.441 5 20 IIBD CCOc1cc(CN(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)ccc1OC(F)F 493523496 JSEBWPIVWNNXAU-UHFFFAOYSA-N 444.456 4.032 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc3oc(CC(C)(C)C)nc3c2)cc1[N+](=O)[O-] 493896206 DTUFIFOYHFKQEC-CQSZACIVSA-N 438.484 4.449 5 20 IIBD O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2 497428978 BOTZJSXEAUORCU-IRXDYDNUSA-N 436.842 4.267 5 20 IIBD CC(C)(C)S(=O)(=O)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 498269444 VSXYUVDDQYDWRP-UHFFFAOYSA-N 427.482 4.109 5 20 IIBD CCNC(=O)[C@@H](C)NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 498793638 RHGZFHGMFYHBLE-LLVKDONJSA-N 441.431 4.019 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCO[C@@H](c2cccc(Br)c2)C1 500288082 MPMPUKIAKRIHQE-GOSISDBHSA-N 431.242 4.317 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC[C@H](CO)CC2CCCC2)cc1[N+](=O)[O-])c1ccccn1 500503736 PIYDPJOKHWCTSF-FUHWJXTLSA-N 426.517 4.082 5 20 IIBD O=C(NCCCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1I 504609067 VVNWURCTSUMUBS-UHFFFAOYSA-N 444.656 4.215 5 20 IIBD COc1cc(Br)c(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1OC 509401294 IUJMWGGVHPVPKW-UHFFFAOYSA-N 427.276 4.105 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)CCCCCc1cc(-c2ccccc2)n[nH]1 511409535 JPDPZSCTGAWJBO-UHFFFAOYSA-N 442.541 4.327 5 20 IIBD C[C@@H](NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)c1nncn1C 511990207 IVYLRBYRNRTBOP-VQCBNXJZSA-N 448.508 4.141 5 20 IIBD C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 512565409 NZNXYDQXFIAVTN-MRXNPFEDSA-N 447.495 4.262 5 20 IIBD O=C(CCCc1ccccc1)N[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 513558245 KVZOXPPRJSJTKB-KRWDZBQOSA-N 444.919 4.384 5 20 IIBD COc1ccc(-c2cc(NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)ccc2OC(F)F)cc1 514953334 XKVMKJZVBLAFGK-UHFFFAOYSA-N 446.410 4.442 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CS(=O)(=O)Cc1csc(COc2ccc(C)cc2)n1 517189381 OOJIUFCXVQVFTN-UHFFFAOYSA-N 448.522 4.062 5 20 IIBD O=C1[C@H](Sc2nnc(Nc3cccc(F)c3)s2)CCN1c1cccc([N+](=O)[O-])c1 517555454 ZYLJQOJQDWASFD-OAHLLOKOSA-N 431.474 4.227 5 20 IIBD Cc1cc(C(=O)Nc2ccc(F)c(NS(=O)(=O)c3cccs3)c2)cc([N+](=O)[O-])c1 518895555 SWWVEIVGHOTAEB-UHFFFAOYSA-N 435.458 4.157 5 20 IIBD Cc1cc(NC(=O)c2ccc(CNC(=O)C3CCCC3)cc2)n(-c2ccc([N+](=O)[O-])cc2)n1 521087329 ZHYKXRXNOXIPSK-UHFFFAOYSA-N 447.495 4.148 5 20 IIBD COCCN([C@@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C 521771897 IWJLSBJZPLOODA-AWEZNQCLSA-N 446.447 4.320 5 20 IIBD COc1cc(Br)c(CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])cc1OC 524285277 LCKCPHZHSBRSIF-UHFFFAOYSA-N 441.303 4.026 5 20 IIBD COc1ccc(C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)cc1[N+](=O)[O-] 525066264 MQJYXROGOWHBKV-UHFFFAOYSA-N 445.273 4.057 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CC[C@H](Cc4cnn(C)c4)C3)cc2[N+](=O)[O-])cc1 531070562 ZFVLOXMQENMZJX-QGZVFWFLSA-N 436.537 4.493 5 20 IIBD Cc1cc(Br)cc([N+](=O)[O-])c1OCC(=O)Nc1ccccc1OC(F)F 531243558 YDNHRNCLGJRHPB-UHFFFAOYSA-N 431.189 4.285 5 20 IIBD COc1cccc(NC2CCN([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)c1 533310909 NGQHXYCFLJJLFJ-CQSZACIVSA-N 432.908 4.160 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 533918848 SYEAKWLIUBLQEB-HNNXBMFYSA-N 434.496 4.438 5 20 IIBD CCC[C@@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C(=O)Nc1cccc(N2CCCC2)c1 534249672 ULLJTTPOPCLLAS-HXUWFJFHSA-N 449.511 4.214 5 20 IIBD O=C(NCc1ccccc1CO)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 534266512 CUXMRGKLCIYVKQ-UHFFFAOYSA-N 425.872 4.283 5 20 IIBD O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)c1ccc([N+](=O)[O-])c2cccnc12 534287843 DWGOKDXMFGLLOT-UHFFFAOYSA-N 439.781 4.052 5 20 IIBD Cc1ccc(Cl)cc1NC(=O)[C@H](C)[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534795684 KNBBQFWUSQDCKH-GNDSEDMPSA-N 447.900 4.488 5 20 IIBD Cc1ccc(Br)c(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 534897191 JSVCVPLCSKRUAO-GOSISDBHSA-N 446.301 4.217 5 20 IIBD Cc1ccc(C(=O)N2CCC(NC(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)CC2)cc1 538270799 DRHANBPUYHGISB-UHFFFAOYSA-N 441.553 4.438 5 20 IIBD Cc1cc(C2CCN(C(=O)c3ccc(N[C@H](C)c4ccccn4)c([N+](=O)[O-])c3)CC2)n[nH]1 538651010 QWLVXJSIPNBJAY-MRXNPFEDSA-N 434.500 4.214 5 20 IIBD CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c2ccccc12 540859656 VTSOKGVKAUCPHD-UHFFFAOYSA-N 439.493 4.060 5 20 IIBD CCOC(=O)c1cc(NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])ccc1Sc1ccccc1 542365246 UJBCKZAQCZBFNF-UHFFFAOYSA-N 426.454 4.207 5 20 IIBD C[C@H](C(=O)NC1(c2noc([C@H]3CCOC3)n2)CCCCCC1)c1ccc([N+](=O)[O-])cc1F 543456844 DHPNDVVBBWQWEU-GJZGRUSLSA-N 446.479 4.090 5 20 IIBD O=C(NC1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1)c1ccccc1 544404189 CXFJBROELHZYBU-UHFFFAOYSA-N 436.390 4.040 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCO[C@@H](CCc2ccccc2)C1 544693237 SFZWAIHLQVGYFN-NRFANRHFSA-N 426.516 4.015 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)cc1C 546536068 IQWKGBYDAWZVDT-UHFFFAOYSA-N 440.403 4.217 5 20 IIBD Cc1nc(-c2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])cc2Cl)n[nH]1 547959890 JVZVQIBBNJAMNB-SECBINFHSA-N 436.255 4.401 5 20 IIBD CN(Cc1c(F)cccc1Cl)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 550036550 IPTBFBHYRWEXPM-CQSZACIVSA-N 445.882 4.319 5 20 IIBD NC(=O)c1cccc(NCCOc2c(Cl)cc(Br)cc2Cl)c1[N+](=O)[O-] 553516480 JRVCQVJSXYBTHM-UHFFFAOYSA-N 449.088 4.254 5 20 IIBD COc1ccc(-c2ccc(C)c(NC(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)c2)cn1 558853840 URRXHYYUIUZWNJ-UHFFFAOYSA-N 432.440 4.172 5 20 IIBD CN(C)CCOc1cccc(-c2noc(-c3csc(-c4ccc([N+](=O)[O-])cc4)n3)n2)c1 564537150 PYLIOFHCYCNNJO-UHFFFAOYSA-N 437.481 4.376 5 20 IIBD COc1cc(Cc2noc(-c3ccccc3Oc3cccnc3)n2)c([N+](=O)[O-])c(OC)c1 589151681 ARNWBKDGOMPCIJ-UHFFFAOYSA-N 434.408 4.440 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)c1ccc(OC(C)C)c(OC)c1 603632320 YBZHHKLUMDVNHZ-CABCVRRESA-N 431.489 4.077 5 20 IIBD O=C(Nc1ccc(Br)cc1Cl)N1CCN(c2ccccc2[N+](=O)[O-])CC1 603649408 FVTYWTMLHJWLAT-UHFFFAOYSA-N 439.697 4.365 5 20 IIBD COc1ccc(CNC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)cc1[N+](=O)[O-] 604017575 IITUUPKEHISTFL-UHFFFAOYSA-N 448.504 4.473 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])N1CCc2[nH]c3c(Br)cccc3c2C1 604430072 PTGSZROUPIGJHG-UHFFFAOYSA-N 444.285 4.192 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC(N2CCc3ccccc3C2)CC1 604518928 LKICPXZPVQSHQO-UHFFFAOYSA-N 448.548 4.381 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H]1CCCN(c2cccc(F)c2)C1 604725971 IYVIALTZMAPUTG-IBGZPJMESA-N 429.495 4.079 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCCC[C@@H]1c1ccccc1C(F)(F)F 608945682 WGENGSYCAXKRLR-MRXNPFEDSA-N 449.385 4.275 5 20 IIBD COc1ccc(C[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1OC 608984141 RXZDRHYXOUUEAA-JOCHJYFZSA-N 449.507 4.438 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cccc([S@](C)=O)c2)cc1 609527306 HRPUTDNFABMGEN-PMERELPUSA-N 426.450 4.385 5 20 IIBD Cc1cc(S(=O)(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)ccc1[N+](=O)[O-] 609673429 JOXKTDLDBKDSFY-UHFFFAOYSA-N 435.889 4.266 5 20 IIBD Cc1cc(C(=O)Nc2cccc(CS(=O)(=O)c3ccc(F)cc3F)c2)cc([N+](=O)[O-])c1 609755593 OSWLIPFECNBDBM-UHFFFAOYSA-N 446.431 4.408 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(CN2C(=O)CCC2=O)cc1 609762201 PWOFOJDCZBGBLH-UHFFFAOYSA-N 445.431 4.288 5 20 IIBD CS(=O)(=O)c1cc(C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)cc([N+](=O)[O-])c1 609816264 ZZNXIJSSKFWWGP-UHFFFAOYSA-N 447.856 4.091 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(O[C@H]2CCOC2)cc1 610051923 ATSRYRNCKIPEPT-INIZCTEOSA-N 439.390 4.222 5 20 IIBD CCOC(=O)c1c(F)cccc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 611452732 WVRVNDCBYHUWJZ-UHFFFAOYSA-N 430.310 4.104 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 612610822 ZYSMBXRRHNFXDR-UHFFFAOYSA-N 426.370 4.102 5 20 IIBD C[C@H](OC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 725935556 MEPDNFIKWQXOKC-NSHDSACASA-N 434.395 4.286 5 20 IIBD C[C@H](NC(=O)c1ccccc1NC(=O)COc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 726788639 SZDUTOLRPPZYIC-HNNXBMFYSA-N 437.427 4.242 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CNC1(c2ccc(Br)cc2)CCCC1 727167205 VRUUMVKDXRFYEL-UHFFFAOYSA-N 432.274 4.282 5 20 IIBD CC(C)(C(=O)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccc(C(F)(F)F)c1 727217736 IVBSJJRJLOPYKX-UHFFFAOYSA-N 436.386 4.024 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCO[C@H](c3cccc(F)c3)C2)CC1 727395737 NSVIIDHYDVTDDJ-QFIPXVFZSA-N 427.476 4.184 5 20 IIBD Cc1nc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)sc1-c1nnc(S)n1C1CC1 729323987 RUBJUIKZDFKHAF-UHFFFAOYSA-N 442.482 4.240 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@@H](Cn3ccnc3)C(C)(C)C)cc2[N+](=O)[O-])C1 729337886 LUFDHXFBXRBQER-LZJOCLMNSA-N 427.549 4.118 5 20 IIBD C[C@@H](c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1)N1CCOCC1 729409478 ZAJGPMVAHYYFFH-SFHVURJKSA-N 438.528 4.231 5 20 IIBD C[C@H](OC(=O)c1cccc(Br)c1O)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 730365280 OCFHTTUFHAMJGC-VIFPVBQESA-N 434.202 4.031 5 20 IIBD C[C@@H](OC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1)C(=O)Nc1ccccc1[N+](=O)[O-] 730376999 ODAZSXIOOKZYGZ-LLVKDONJSA-N 449.250 4.271 5 20 IIBD O=C(COC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)Nc1cc([N+](=O)[O-])ccc1F 730614068 RQHZPLBCOUUVMJ-CHWSQXEVSA-N 427.215 4.326 5 20 IIBD C[C@H](OC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)Nc1ccc(OC(F)(F)F)cc1 730644340 BIOHHVRGFGJZJV-VIFPVBQESA-N 432.738 4.331 5 20 IIBD O=C(OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1ccc(-c2ccccc2F)o1 730703060 GQMRLHPNJZBNGV-OAHLLOKOSA-N 438.411 4.456 5 20 IIBD Cc1cc(Oc2ccccc2)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 731466714 HGNINRHBMUFFIN-UHFFFAOYSA-N 429.410 4.405 5 20 IIBD Cc1ccc([C@H](NC(=O)COC(=O)c2ccc([N+](=O)[O-])c(F)c2)c2cccs2)cc1 731519567 UKZKQEZRGNBRDR-FQEVSTJZSA-N 428.441 4.166 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)c1cccc(-n2cccn2)c1)c1cccc([N+](=O)[O-])c1 735037995 PBBKNHJKBLAKOZ-HXUWFJFHSA-N 448.479 4.022 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1Br)Nc1ccc(N2CCCCC2)cc1 737399307 KJRCYMTYYSHAGV-UHFFFAOYSA-N 434.290 4.365 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(NCc2cccc(NC(=O)c3ccncc3)c2)cc1Cl 741751478 XVROIGVYVASVLU-UHFFFAOYSA-N 440.843 4.294 5 20 IIBD CCN(CC)[C@@H](C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 744996409 IWMKIQPPMFVMJR-IFXJQAMLSA-N 433.892 4.202 5 20 IIBD CCCCn1c(=O)c(CCC(=O)OCc2cc(Cl)ccc2[N+](=O)[O-])nc2ccccc21 746059993 WXUIMWSYVFGYJC-UHFFFAOYSA-N 443.887 4.434 5 20 IIBD O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCCN(c2ncnc3sccc23)C1 746078419 RAFYZAOWFJMRFV-LBPRGKRZSA-N 432.889 4.213 5 20 IIBD C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1 746438420 CMXWIIDQIMBLCZ-HNNXBMFYSA-N 446.419 4.199 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC3(CCC3)Oc3ccccc32)c(C(F)(F)F)c1 746669273 MKKAYCZIRJMZAK-HNNXBMFYSA-N 442.415 4.338 5 20 IIBD O=C(OC1CCN(c2ccc(Cl)cn2)CC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 747231569 BQCKWENAXHJMQS-UHFFFAOYSA-N 429.782 4.488 5 20 IIBD COc1cc(C(=O)N2CCN(c3ccc(C)c(C)c3)C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F 747889270 AORZWRRSZJXBBA-OAHLLOKOSA-N 449.454 4.173 5 20 IIBD C[C@@H](OC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C(=O)N(C)C 748579272 MDSRYNQOWNPLOL-RGHBXIHOSA-N 439.493 4.155 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 748800393 PIPZGIUTFZPLAU-UHFFFAOYSA-N 441.484 4.221 5 20 IIBD CN([C@@H](c1ccncc1)c1ccc(Cl)cc1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 749107564 CTBUPEJAYQLTQD-GOSISDBHSA-N 435.864 4.192 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccc(NC(=O)C2CC2)cc1 750603572 QUNZHIJHKTXBKS-LLVKDONJSA-N 432.274 4.197 5 20 IIBD Cc1c(COC(C)(C)C)cccc1NC(=O)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 751290654 XCSSFKYUEMUUKB-UHFFFAOYSA-N 445.428 4.150 5 20 IIBD O=C(N[C@H]1COc2ccccc2[C@@H]1O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 752904675 GIXBZKDPSQWURZ-UWJYYQICSA-N 440.839 4.265 5 20 IIBD CCOc1ccccc1C(F)(F)C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 753496780 DVMBVQMPIJSPJH-NSHDSACASA-N 442.802 4.309 5 20 IIBD C[C@H](C(=O)Nc1cnc(Br)c(Br)c1)c1ccc([N+](=O)[O-])cc1F 754352281 XZHYJFUHFYSEBQ-ZETCQYMHSA-N 447.058 4.396 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)NC1CCN(CC2CCCC2)CC1 755026139 SHHXYMHNXORHLI-UHFFFAOYSA-N 425.327 4.133 5 20 IIBD C[C@@H](C(=O)OCc1csc(CC(=O)Nc2ccccc2)n1)c1ccc([N+](=O)[O-])cc1F 755069106 XWPHJDHDIMNMMF-CYBMUJFWSA-N 443.456 4.219 5 20 IIBD C[C@@](O)(CC(=O)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)C1CC1 756313720 UKDVYBNLHBUBKO-TZIWHRDSSA-N 432.860 4.022 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NC1CCN(Cc2ccc(Cl)cc2)CC1 756963749 DSVHESXLIZSRAS-UHFFFAOYSA-N 437.327 4.365 5 20 IIBD C[C@H](OC(=O)c1ccn(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 757867169 KEOGBSNUWNJZSH-NSHDSACASA-N 449.250 4.271 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC(n2ccc(C(F)(F)F)n2)CC1 759067114 FTRMGMDBTVNPRH-UHFFFAOYSA-N 447.211 4.050 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(N2CCC[C@H]2C(C)C)c(F)c1 760436266 RRBHOXXCFIUFCE-ROUUACIJSA-N 446.527 4.230 5 20 IIBD CN(C(=O)COC(=O)c1cc2ccccc2cc1OC(F)F)c1ccc([N+](=O)[O-])cc1 761512194 XDNGIQFTLRFAEG-UHFFFAOYSA-N 430.363 4.169 5 20 IIBD O=[N+]([O-])c1ccc(CNCc2ccc(Br)cc2N2CCOCC2)cc1Cl 761527453 GTAYGCKLKANITQ-UHFFFAOYSA-N 440.725 4.137 5 20 IIBD O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 762104591 ZCMUWAALVMOOTN-HOTGVXAUSA-N 445.863 4.154 5 20 IIBD C[C@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F)c1ccccc1[N+](=O)[O-] 764589323 YTGPAQJEISURRJ-GUYCJALGSA-N 434.395 4.105 5 20 IIBD O=C(NCc1cccc(NC(=O)c2ccncc2)c1)Nc1ccc([N+](=O)[O-])c(Cl)c1 770018434 IEAIZVQUVDPPOL-UHFFFAOYSA-N 425.832 4.217 5 20 IIBD O=C(c1ccc(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])cc1)N1CCCC1 774656156 AZBTVOIFJGVZNC-UHFFFAOYSA-N 444.360 4.492 5 20 IIBD Cc1csc(Sc2ccc(C(=O)O[C@H]3CCN(CC(F)F)C3)cc2[N+](=O)[O-])n1 774706367 ULTLMKQDVLYRCU-LBPRGKRZSA-N 429.470 4.007 5 20 IIBD Cc1nn(Cc2ccc(C(=O)OCc3cc(COC(C)(C)C)on3)cc2)c(C)c1[N+](=O)[O-] 775188457 KJCZJWLYONGLLV-UHFFFAOYSA-N 442.472 4.117 5 20 IIBD O=C(c1cc([N+](=O)[O-])c2nsnc2c1)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 777811870 ZHDXUKWBISFHPH-GOSISDBHSA-N 440.506 4.037 5 20 IIBD COCC[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1ccc(C)o1 778489251 QKGKIFYNEGNVGX-GFCCVEGCSA-N 431.670 4.420 5 20 IIBD O=C(NC1CCC(N2CCCCC2)CC1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 780869472 NJOPPGIJJQDACK-UHFFFAOYSA-N 439.506 4.486 5 20 IIBD CC(C)(C)OC(=O)N1Cc2ccc(CNC(=O)c3cccc(Cl)c3[N+](=O)[O-])cc2C1 781590468 OFSOYAUYSKHFJH-UHFFFAOYSA-N 431.876 4.429 5 20 IIBD C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781714299 WONLFEPXTZIUCY-NSHDSACASA-N 426.256 4.490 5 20 IIBD O=C(Oc1cc([N+](=O)[O-])ccc1I)c1csc(-c2ccoc2)n1 781747412 OLUMKTIPQYTAMP-UHFFFAOYSA-N 442.190 4.135 5 20 IIBD COc1cccc(CN2C(=O)N[C@H](c3ccc([N+](=O)[O-])s3)C(C(=O)OC(C)C)=C2C)c1 782249513 LQIKACCPRURJHA-LJQANCHMSA-N 445.497 4.157 5 20 IIBD CCN(CC)CCCC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 782844714 DQUVTODAHATFDY-UHFFFAOYSA-N 444.345 4.471 5 20 IIBD Cc1ccc(-c2cc(C(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)c3ccccc3n2)o1 785592274 NTJMUYKASXEJEP-UHFFFAOYSA-N 431.452 4.385 5 20 IIBD O=[N+]([O-])c1ccc(CSc2nnc(-c3cccnc3)n2Cc2ccccc2)c([N+](=O)[O-])c1 789749617 GWTWYNRJLVHVMO-UHFFFAOYSA-N 448.464 4.497 5 20 IIBD O=C(C[C@@H]1CCc2ccccc2C1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791175024 RZBMGZFJVXSCKF-CQSZACIVSA-N 429.314 4.437 5 20 IIBD COCC1(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCN(C(=O)OC(C)(C)C)CC1 793576859 QLHXAUQIFNZHHZ-FQEVSTJZSA-N 433.549 4.226 5 20 IIBD CCOc1ccc(-c2nc(COC(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])cs2)cc1OC 796251660 XXRKAAVRHPPTQZ-UHFFFAOYSA-N 446.485 4.329 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)c1cc([N+](=O)[O-])ccc1Br 798149315 NZANJMJURFCERR-SWLSCSKDSA-N 440.091 4.406 5 20 IIBD CCOC(=O)N(C)C1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 799603581 JRJKNKOYYPTHIW-UHFFFAOYSA-N 443.525 4.439 5 20 IIBD O=C(N[C@H](C(=O)OCc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1)c1ccccc1 803245748 GGQTWLINKGGRMD-FQEVSTJZSA-N 426.375 4.088 5 20 IIBD Cc1cc(Br)c(C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1N 803852183 NXTHZZUHIGRJCB-UHFFFAOYSA-N 432.230 4.260 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NCc1ccncc1OCc1ccccc1 805195916 GLCKONYUTZIHFS-UHFFFAOYSA-N 426.860 4.222 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N(C)[C@]2(c3ccccc3)CCCCC2=O)cc1[N+](=O)[O-] 810078239 JUKOZUMGFZRJHJ-FQEVSTJZSA-N 436.917 4.216 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(C(F)(F)F)s2)c(Br)c1 812498287 LGLORSFJNLSYAT-UHFFFAOYSA-N 432.195 4.205 5 20 IIBD Cc1noc2nc(C(C)C)cc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c12 813364397 PZSWSPQNBRDOHO-UHFFFAOYSA-N 432.820 4.012 5 20 IIBD COC(=O)c1ccc(OC(=O)c2ccc(SC)c([N+](=O)[O-])c2)c(Br)c1 863926699 CWBULQUSIFXUJQ-UHFFFAOYSA-N 426.244 4.085 5 20 IIBD C[C@@H](OC(=O)c1nc(-c2ccccc2)n2c1CCCCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 914916772 XCWSAQISRPZUPF-MRXNPFEDSA-N 448.479 4.369 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)NCc2cccc(COCc3ccccc3)c2)cc1[N+](=O)[O-] 915298614 AKQNJSJAKWTJKN-UHFFFAOYSA-N 435.436 4.458 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(C1CC1)[C@@H](C)c1ccc(Cl)cc1 915664133 ZSHJXVRVHDPNLP-ZDUSSCGKSA-N 432.860 4.200 5 20 IIBD COc1cc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc(OC)c1OC 916057037 KFOBSVIJPSAZEZ-OAHLLOKOSA-N 443.500 4.102 5 20 IIBD CCCC(=O)Nc1nc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N(C)C)cc2s1 918162126 SBLSSUPQRXKRQX-UHFFFAOYSA-N 427.486 4.261 5 20 IIBD Cc1[nH]c2ccccc2c1C1CCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 918460340 HRNLXNUROHKTHZ-UHFFFAOYSA-N 440.887 4.383 5 20 IIBD O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1ccccc1NS(=O)(=O)c1ccc(F)cc1 918869171 CBTIRGIIYTWMOD-UHFFFAOYSA-N 448.403 4.031 5 20 IIBD C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)COC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 918991644 YOJHVFJQFBOPKZ-LLVKDONJSA-N 434.420 4.464 5 20 IIBD Cc1oc(-c2cccs2)nc1CC(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 919246620 LLXBYPLAFLHGOD-ZDUSSCGKSA-N 429.454 4.041 5 20 IIBD C[C@H](Sc1ccc(Br)cc1)C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 919467644 HRRGJXBPEVSJNY-NSHDSACASA-N 439.287 4.020 5 20 IIBD C[C@@H](OC(=O)c1cc(F)ccc1F)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 919902134 XZYWPOUKVYKOMR-SNVBAGLBSA-N 433.392 4.181 5 20 IIBD O=C(NC1(c2cccc(Br)c2)CCOCC1)c1cc(Cl)ccc1[N+](=O)[O-] 920016709 DFGHBKWQIPWOPM-UHFFFAOYSA-N 439.693 4.446 5 20 IIBD Cc1ccc(NC(=O)COC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 920122128 STMAGAIEXPSCHZ-MRXNPFEDSA-N 434.452 4.267 5 20 IIBD CC(C)[C@H](NC(=O)COc1cc(Cl)ccc1[N+](=O)[O-])c1ccc2c(c1)OCCCO2 920993110 OZWUJUMDAPQOLQ-NRFANRHFSA-N 434.876 4.302 5 20 IIBD O=[N+]([O-])c1cc(I)cc(-c2nnc(CCCc3ccccc3)o2)c1 1257819126 KVQSOOKCJVBFID-UHFFFAOYSA-N 435.221 4.425 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cn2)cc1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 1320960490 DRSDWMSIHNPKFA-UHFFFAOYSA-N 425.828 4.339 5 20 IIBD O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)N1Cc2ccc([N+](=O)[O-])cc2C1 1323991909 NWWGWHIRDJZWOR-UHFFFAOYSA-N 447.476 4.070 5 20 IIBD O=C(CCSc1nc2ccccc2s1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1324986284 BIFAOXBFHIVRAU-UHFFFAOYSA-N 442.566 4.031 5 20 IIBD O=[N+]([O-])c1ccc(/C=C\c2nnc(CN3CCN(Cc4ccccc4Cl)CC3)o2)cc1 1341691699 ODESQTZDFMAZBI-YFHOEESVSA-N 439.903 4.119 5 20 IIBD O=C(Cc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(C2(NC(=O)C(F)F)CCC2)cc1 1786116524 PPLSCVSCWDABMV-UHFFFAOYSA-N 437.830 4.190 5 20 IIBD Cc1[nH]ccc1C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])o3)cc2)CCC1 1786204449 JCJNPULMTSOLQV-VQHVLOKHSA-N 434.452 4.285 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3cncs3)cc2)CCC1)c1cc(F)cc([N+](=O)[O-])c1 1787534166 GYKCPRKCDOOZME-UHFFFAOYSA-N 440.456 4.252 5 20 IIBD CO/C=C(\C)C(=O)Nc1ccc(C2(NC(=O)c3c(F)ccc([N+](=O)[O-])c3C)CCC2)cc1 1789432778 ZNWMPOLAJSQKIA-BUHFOSPRSA-N 441.459 4.340 5 20 IIBD COc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])o4)CCC3)cc2)cc1 1790300689 LRGHBOXVCWOGAM-UHFFFAOYSA-N 435.436 4.258 5 20 IIBD Cc1c(Cl)cccc1C(=O)N1CCCC2(CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)C1 1805095544 QJGRWADGPVHPEX-UHFFFAOYSA-N 445.903 4.308 5 20 IIBD C/C=C(/C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(F)ccc([N+](=O)[O-])c2C)CC1 1831351359 YWJSSWXVIIVXKH-CCJGRBBLSA-N 431.508 4.242 5 20 IIBD CC(C)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1831382336 RZIKYUMJQQEDPC-HXUWFJFHSA-N 433.524 4.403 5 20 IIBD Cc1cc(CCCC(=O)N2CC3(CCCN3C(=O)[C@H]3CCC[C@H]3C)C2)c([N+](=O)[O-])cc1F 1843961454 FYCZXEPHOYYQIX-APWZRJJASA-N 445.535 4.005 5 20 IIBD CCC[C@H]1CC[C@H](C(=O)N2CCCC23CN(C(=O)Cc2ccc(C)c([N+](=O)[O-])c2)C3)CC1 1846077511 NHNYYXFHZOIDQS-XUTJKUGGSA-N 441.572 4.256 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nc2sc(C)c(C)c2c1=O 9358030 RDCHVJTZARHDNA-GFCCVEGCSA-N 432.527 4.122 5 20 IIBD Cc1cc(Br)ccc1NC(=O)COC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 9869826 IFSKXTJRWCZTSF-UHFFFAOYSA-N 448.273 4.036 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)c([N+](=O)[O-])c1 10646857 JXBGFYBRCDPQQR-HXUWFJFHSA-N 435.392 4.348 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 10738837 RCPGCCVLDRLZIQ-HXUWFJFHSA-N 439.512 4.010 5 20 IIBD Cc1ccc2nc(NC(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)sc2c1 14739828 BBRVVYQUXKUZTP-UHFFFAOYSA-N 426.483 4.045 5 20 IIBD CNc1ccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1[N+](=O)[O-] 18157353 NKPSOYSHVAHSET-UHFFFAOYSA-N 427.464 4.419 5 20 IIBD CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)COc1cccnc1[N+](=O)[O-] 18532503 HPVGKBHGRPIGMO-UHFFFAOYSA-N 441.465 4.221 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCc1nc(-c2ccsc2)no1 18801246 PEWWDUIQYPNAFD-UHFFFAOYSA-N 442.375 4.271 5 20 IIBD Cc1ccc(-c2cnc(CCC(=O)O[C@@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)o2)cc1 21584827 CYPMFLUPDPBYOE-AWEZNQCLSA-N 441.415 4.200 5 20 IIBD Cc1ccc(-n2c(Sc3nc4sccn4c3[N+](=O)[O-])nnc2N2CCCCC2)cc1 29853088 PCUUPVJKMJYZOK-UHFFFAOYSA-N 441.542 4.335 5 20 IIBD COc1ccc(CSCC(=O)N(Cc2cccs2)C[C@@H]2CCCO2)cc1[N+](=O)[O-] 105976556 NNTWGSGLLUHIKO-INIZCTEOSA-N 436.555 4.106 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 106031096 QRNFVFFIBWEALS-OAHLLOKOSA-N 438.267 4.154 5 20 IIBD Cc1cccc([C@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])c2ccccn2)c1 301907020 ZLISNHWDKYVCPW-IBGZPJMESA-N 433.436 4.496 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NCc1ncc(-c2ccccc2)[nH]1 301987421 NHNYDVVBOXUUOI-UHFFFAOYSA-N 449.492 4.398 5 20 IIBD COc1ccc(-c2ccc(CN[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)o2)c([N+](=O)[O-])c1 426650125 ZUZBOPSEZGAUFY-FQEVSTJZSA-N 435.436 4.130 5 20 IIBD O=C(O)[C@H](Cc1ccc(OC(F)F)cc1)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 426822722 FHWDPHJRJPFGPN-KRWDZBQOSA-N 449.435 4.105 5 20 IIBD COC(=O)c1cccc(NCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])c1Cl 431107122 PLBZBISGFMNNJH-UHFFFAOYSA-N 430.791 4.299 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@@H](OCCCc2ccccc2)C1 431407837 ROQWYSKOLFRTIN-QGZVFWFLSA-N 435.427 4.452 5 20 IIBD CCOC(=O)c1ccnc(N2CCC(Nc3cccc(Br)c3)CC2)c1[N+](=O)[O-] 432936343 DABAIVSDRQWFJS-UHFFFAOYSA-N 449.305 4.010 5 20 IIBD COc1cc(NC2CCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])CC2)cc(OC)c1 436400477 OECRVDSYKRJYLP-UHFFFAOYSA-N 426.395 4.107 5 20 IIBD CCc1c(-c2ccc(Br)cc2)n[nH]c1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 436960700 DUWBZTVXPJPJIL-UHFFFAOYSA-N 431.246 4.268 5 20 IIBD Cc1cc(Br)cc(C)c1NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 437067044 BVIYFOYCSBEBPV-UHFFFAOYSA-N 446.301 4.104 5 20 IIBD Cc1cc(N2CCC(NC(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)CC2)n[nH]1 439345871 YDFKXCWSJUXLAF-UHFFFAOYSA-N 436.472 4.209 5 20 IIBD CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H]2CCCC[C@@H]12 439988331 MVMNJZQWEKJDBO-LGLZLGMKSA-N 444.576 4.026 5 20 IIBD CSc1ccc(-c2nsc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)n2)cc1 440459346 JBELPVXDMHEPHA-UHFFFAOYSA-N 438.494 4.273 5 20 IIBD O=C(NCCN1CCc2ccccc2C1=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] 440877938 FZWNUAOHAHXCRQ-UHFFFAOYSA-N 447.516 4.174 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCCCCc1nc(-c2cccnc2)cs1 443416652 JGUDFCALZWTJJR-UHFFFAOYSA-N 430.917 4.448 5 20 IIBD C[C@H](NC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)C(c1ccccc1)c1ccccc1 444997738 LROYZXRBSIAJEF-INIZCTEOSA-N 429.480 4.491 5 20 IIBD CC(C)n1ncc2c(-c3nc(-c4c([N+](=O)[O-])ncn4C)no3)cc(-c3ccccc3)nc21 445572008 PRDBUYXLNCWLEV-UHFFFAOYSA-N 430.428 4.038 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(-c3cccc(CN4CCOCC4)c3)no2)cc(C(F)(F)F)c1 447040755 MBQJJNVFGPHHBX-UHFFFAOYSA-N 434.374 4.163 5 20 IIBD CCS[C@H](C)c1noc(CN(C)c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])n1 447690430 XLKOJIKQFGMYNC-MRVPVSSYSA-N 441.382 4.477 5 20 IIBD O=[N+]([O-])c1ccc2nc(N3CCCN(Cc4cccc(OCC(F)(F)F)c4)CC3)[nH]c2c1 460351198 WNOVNILLSFEHMJ-UHFFFAOYSA-N 449.433 4.125 5 20 IIBD COc1cc(C(=O)N2C[C@@H](c3ccccc3C)OC[C@H]2C)c([N+](=O)[O-])cc1OC(F)F 460405008 XWKXYJVVZLQEKW-YJYMSZOUSA-N 436.411 4.115 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)c1 460472545 XQPPADMISLMONQ-NRFANRHFSA-N 449.532 4.321 5 20 IIBD CCS[C@H](C)c1noc(CN(C)c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)n1 462490066 OMDLWLWLWQSBAS-CQSZACIVSA-N 429.502 4.402 5 20 IIBD O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 463431876 DIDOFBWXWAIESW-UHFFFAOYSA-N 447.426 4.293 5 20 IIBD Cc1cc(Br)cc(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 463518192 KBNLDDVLUOXNQE-UHFFFAOYSA-N 436.287 4.323 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nnc(-c3cc4ccccc4o3)s2)c1C 468958912 NQAYYZBIKSVJAU-UHFFFAOYSA-N 430.467 4.277 5 20 IIBD Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)cc1 469474319 LAKASIDEKZRUEG-MWTRTKDXSA-N 435.480 4.170 5 20 IIBD Cc1c(C(=O)N2CCC(=Cc3ccc(F)c(F)c3)CC2)nnn1-c1cccc([N+](=O)[O-])c1 470588525 RVMFIJUOXSYGNU-UHFFFAOYSA-N 439.422 4.082 5 20 IIBD COC(=O)COc1ccc(CNC2(c3c(Cl)cccc3Cl)CC2)cc1[N+](=O)[O-] 474359845 VUEDOYGNMQLDHY-UHFFFAOYSA-N 425.268 4.232 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@@H](CC(N)=O)C3CCCCC3)cc2[N+](=O)[O-])n1 474895735 IFOCSSZEWSISAB-HNNXBMFYSA-N 448.570 4.065 5 20 IIBD CN(c1ccccc1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)C1CCCC1 475176955 WPXSXDNBQDGXPB-UHFFFAOYSA-N 438.484 4.300 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN(CCO)[C@@H]3CCCSC3)o2)c(Br)c1 475484629 DXBQSBSEBLKIIJ-CQSZACIVSA-N 441.347 4.307 5 20 IIBD Cc1nc2ccc(Br)cn2c1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 476554117 WYWLDQBNBVRAKR-UHFFFAOYSA-N 429.274 4.118 5 20 IIBD CN1CC[C@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@H]1c1ccc(Cl)c(F)c1 477006610 XFFILJRDDOQCBN-ZUOKHONESA-N 430.867 4.291 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F 478467350 YLHDKDFROCDSBN-OAHLLOKOSA-N 434.823 4.209 5 20 IIBD CCOc1cc(OCC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)ccc1[N+](=O)[O-] 478736690 TWJULJINDOHRPF-KRWDZBQOSA-N 441.465 4.405 5 20 IIBD O=C(Nc1ccc(OCC(F)F)cc1)c1ccc([N+](=O)[O-])cc1I 480357019 WBFYPYNNWALKCS-UHFFFAOYSA-N 448.163 4.096 5 20 IIBD Cn1c([C@H](NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c2ccccc2)nc2ccccc21 481408008 ULSIRXYWPGTICM-JOCHJYFZSA-N 440.463 4.411 5 20 IIBD CCC(=O)c1ccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])c(F)c1 481815694 NWQNTEZCSHTZKC-UHFFFAOYSA-N 436.461 4.294 5 20 IIBD O=C(Nc1cc(Cl)ccn1)c1ccc(C(=O)Nc2cc(Cl)ccn2)c([N+](=O)[O-])c1 483185198 ZAFRYRSCGWDWFM-UHFFFAOYSA-N 432.223 4.196 5 20 IIBD Cc1cc(I)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 485097990 TWGJGBHDEAIIEO-UHFFFAOYSA-N 448.163 4.362 5 20 IIBD Cc1nc(O)cc(-c2ccc(NC(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)cc2)n1 485600273 LNTCNSMXWXXRJC-UHFFFAOYSA-N 447.373 4.406 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)c1sc(Br)cc1[N+](=O)[O-])OC(C)C 485751586 UWEUMKBHDJGARA-CQSZACIVSA-N 443.319 4.324 5 20 IIBD CC(C)(C)c1cc(NC(=O)Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)n(-c2ccccc2)n1 487891498 WFBPFEPSRIZYOD-UHFFFAOYSA-N 445.479 4.032 5 20 IIBD COc1ccc(CN(C)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1OC(F)F 488075861 PGKZEDJGZIBQFD-UHFFFAOYSA-N 443.834 4.242 5 20 IIBD C[C@H](Nc1ccc(C(=O)N(CCCO)Cc2ccccc2)cc1[N+](=O)[O-])c1ccccn1 488262344 KIRLZLKLTAZYGU-SFHVURJKSA-N 434.496 4.188 5 20 IIBD O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H](c1ccc(Cl)cc1)c1ccccc1Cl 490342414 JUAKDMKSJOEYDG-SFHVURJKSA-N 434.283 4.187 5 20 IIBD Cn1c(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)nc2cc(Cl)ccc21 490507566 MHCJJAJKMWOLLD-UHFFFAOYSA-N 427.873 4.188 5 20 IIBD O=C(NCC[C@H](c1ccccc1)C(F)(F)F)c1cc([N+](=O)[O-])ccc1SCCO 490838788 HOTWKXAKHICOKI-MRXNPFEDSA-N 428.432 4.145 5 20 IIBD CCOc1cc(CN2CCN(C(=O)c3cc4sccc4s3)CC2)ccc1[N+](=O)[O-] 492654862 ODZBAWRSEFADHY-UHFFFAOYSA-N 431.539 4.228 5 20 IIBD COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2OC)cc1NC(=O)C1CCCCC1 494682688 AUOWSUFKGNKRKP-UHFFFAOYSA-N 427.457 4.383 5 20 IIBD O=C(Nc1ncc(Cc2ccccc2F)s1)c1cc([N+](=O)[O-])ccc1SCCO 497667415 GMJMGKGPHVVJEZ-UHFFFAOYSA-N 433.486 4.118 5 20 IIBD Cc1ccc2c(C3=CCN(S(=O)(=O)c4cc(C)c(C)cc4[N+](=O)[O-])CC3)c[nH]c2c1 497790007 LAJOVHVGLUBRRR-UHFFFAOYSA-N 425.510 4.479 5 20 IIBD C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(NC(=O)NC2CC2)cc1 497812412 NNCURRHPZVWZCD-NSHDSACASA-N 436.390 4.389 5 20 IIBD CC[C@@H](Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1OCC(=O)N(C)C 499150866 ZUZSHBADOAVDRP-MRXNPFEDSA-N 436.306 4.388 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 504794558 BZNSJYCRCMQXFY-UHFFFAOYSA-N 442.475 4.202 5 20 IIBD COCCN(C(=O)c1ccnc(SC)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 506221538 VIIROXPYNGCBDZ-UHFFFAOYSA-N 430.511 4.128 5 20 IIBD Cc1c(Br)cc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-] 509655620 SVOYCQOMNSKHHG-UHFFFAOYSA-N 432.318 4.060 5 20 IIBD COc1cc(C(=O)Nc2ccc3ccccc3n2)c([N+](=O)[O-])cc1OCc1cscn1 509976609 NBLCXYGZGIQKDL-UHFFFAOYSA-N 436.449 4.439 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2ccnn2Cc2ccc(F)cc2)cc1[N+](=O)[O-] 510597593 DIPBBBHAENCDHD-UHFFFAOYSA-N 433.237 4.302 5 20 IIBD O=C(NCc1ccc(OCC(F)(F)F)cc1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 510863113 YGMSGRFMMQGWSA-UHFFFAOYSA-N 435.305 4.459 5 20 IIBD Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 511116652 SKVZVCGXNCMBHG-UHFFFAOYSA-N 440.403 4.217 5 20 IIBD O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 516112465 JYYXGEDADSXRRZ-UHFFFAOYSA-N 429.816 4.138 5 20 IIBD O=C(Nc1cccc(F)c1)c1cccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 516343909 CAMFWSDERBKYJH-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD O=C(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)N1N=C(c2cccs2)C[C@H]1c1ccco1 517797071 IJEQHNMLWMLPBL-IBGZPJMESA-N 447.476 4.491 5 20 IIBD COc1ccc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c2cccnc12 518476383 DVSLTWVBFXKVGA-UHFFFAOYSA-N 431.452 4.266 5 20 IIBD COc1ccc2oc([C@@H](C)NC(=O)c3nnn(-c4cccc([N+](=O)[O-])c4)c3C)c(C)c2c1 518557786 PTMPOWLNFCWOMX-CYBMUJFWSA-N 435.440 4.038 5 20 IIBD CCCN(CC)C(=O)c1ccc(C(=O)Nc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)cc1 520322067 ZAGMQCPSHCGFEP-UHFFFAOYSA-N 435.484 4.213 5 20 IIBD CCOc1cc(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)ccc1OCC(=O)OC 522873137 KBMRMSJGTPGLHS-UHFFFAOYSA-N 442.468 4.135 5 20 IIBD C[C@@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1Oc1ccccc1 523488283 JBZRNORKNDHNLY-GOSISDBHSA-N 447.495 4.375 5 20 IIBD Cc1ccc(NCCCNC(=O)c2cccnc2SCc2cc(C)on2)c([N+](=O)[O-])c1 523513387 AQGRXEAGZFMJLK-UHFFFAOYSA-N 441.513 4.119 5 20 IIBD O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CC[C@H](N2CCCC2)C1 524040874 YSQLXNNGFGGSBS-SFHVURJKSA-N 428.920 4.171 5 20 IIBD CCc1cccc2c1OCC[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)OC 534221575 BNCAVGXPDMYPTP-SFHVURJKSA-N 444.509 4.066 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C 534949762 CZSOSDVYSUCEFS-GOEBONIOSA-N 446.500 4.407 5 20 IIBD CC(=O)N1CC[C@@H](N=c2c([N+](=O)[O-])c[nH]c3ccc(Br)cc23)c2ccccc21 536000650 GFMXZCNTAVMLEI-QGZVFWFLSA-N 441.285 4.237 5 20 IIBD O=C(Nc1nccn1Cc1ccc(Br)cc1)c1c[nH]c2cccc([N+](=O)[O-])c12 536507878 VTKQURGVXARXPJ-UHFFFAOYSA-N 440.257 4.336 5 20 IIBD O=C(NCCc1ccc(Br)s1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 537241434 CGYZLNQVQKZTOL-UHFFFAOYSA-N 432.299 4.453 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)N(CC)CC(=O)Nc1c(Cl)cccc1Cl 539064934 JQGSSJONYCKLAV-UHFFFAOYSA-N 440.283 4.401 5 20 IIBD C[C@H]1C[C@@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CCN1Cc1ccccc1 539489094 VPARHBBJSUDROV-RXVVDRJESA-N 430.508 4.440 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 539552655 RKFHKRHOKMSONP-JLTOFOAXSA-N 449.866 4.333 5 20 IIBD CC(=O)NC1CCC(N(C)C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 542286563 FSHWXZGCNZFLGP-UHFFFAOYSA-N 427.526 4.265 5 20 IIBD CC(C)(C(=O)NCCc1c[nH]c2ccc(Br)cc12)c1ccc([N+](=O)[O-])cc1 542426421 CADPVVOKRSMPEZ-UHFFFAOYSA-N 430.302 4.475 5 20 IIBD Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)cccc1-n1cnnn1 542515456 YYNHZGVBZBRASS-UHFFFAOYSA-N 438.513 4.414 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 542564356 ZWBLGMGFNFHZIT-CRAIPNDOSA-N 437.265 4.075 5 20 IIBD Cc1cc(C(=O)NCC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)ccc1[N+](=O)[O-] 543932011 PGSXVWHMFVSGON-GOSISDBHSA-N 436.295 4.304 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)cc1S(N)(=O)=O 544531721 UPWRJGZZKLBEMF-UHFFFAOYSA-N 449.554 4.085 5 20 IIBD C[C@@H](Nc1ccc(-c2nc(-c3ccc4nc(O)[nH]c4c3)no2)cc1[N+](=O)[O-])c1ccccn1 545029490 IQGRIUUIIWTGOM-GFCCVEGCSA-N 443.423 4.462 5 20 IIBD COc1cc(Br)c(Cc2noc(-c3ccc([N+](=O)[O-])c(C)c3)n2)cc1OC 545536953 FQFSJLYPHQTRLJ-UHFFFAOYSA-N 434.246 4.324 5 20 IIBD Cn1cnnc1Sc1ccc(-c2nc([C@@H]3CCCc4ccccc43)no2)cc1[N+](=O)[O-] 547000857 BHLNJUJUZIBAPG-MRXNPFEDSA-N 434.481 4.393 5 20 IIBD Cn1ccnc1[C@H](NCc1ccncc1OCc1ccccc1)c1cccc([N+](=O)[O-])c1 552088835 TVFUFFZMTWCVEB-HSZRJFAPSA-N 429.480 4.182 5 20 IIBD Cc1c(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])sc2nc3n(c(=O)c12)CCCCC3 553725218 NXQSGCFUPODMJJ-UHFFFAOYSA-N 440.525 4.066 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)n1 561194223 VKUOFLVTUYSHJM-UHFFFAOYSA-N 439.299 4.160 5 20 IIBD O=C(Nc1c(O)cc(Br)cc1Cl)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 561957982 VJSSHQWTCDDBCN-UHFFFAOYSA-N 437.637 4.154 5 20 IIBD CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[C@H]2C1 565269199 HEMLLQBRVRPGGK-SSKFGXFMSA-N 438.484 4.156 5 20 IIBD COc1cc(CNCCc2c[nH]c3cccc(Br)c23)c([N+](=O)[O-])cc1OC 566038798 LMOWLOSJHLMJNQ-UHFFFAOYSA-N 434.290 4.188 5 20 IIBD C[C@@H](CN[C@H](c1cccc([N+](=O)[O-])c1)c1nccn1C)Oc1cccc(Br)c1 581959614 JBRLXMVQKWRZCY-IFXJQAMLSA-N 445.317 4.237 5 20 IIBD CN1CCC(Oc2ccc(CNC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)cc2)CC1 584223272 YYABUIVMHRIJDA-UHFFFAOYSA-N 441.531 4.084 5 20 IIBD COc1cc([C@@H]2NC(C)(C)C(=O)N2CC2CCCCC2)c([N+](=O)[O-])cc1OCC(F)F 602754963 FBBVJKHRMPYYBZ-LJQANCHMSA-N 441.475 4.037 5 20 IIBD O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NCCn1ccnc1 603452216 GEYYHJWIVGWHSB-LGMDPLHJSA-N 433.493 4.148 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCc3cccc(Cn4ccnc4)c3)cc2[N+](=O)[O-])C1 603873632 OWJMSPYXLPMGEQ-OALUTQOASA-N 447.539 4.252 5 20 IIBD CC1CCN(c2ccc(C(=O)NCc3ccc(N4CCCCC4)nc3)cc2[N+](=O)[O-])CC1 603905679 LQJKTSBDFQSWHB-UHFFFAOYSA-N 437.544 4.146 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)cc1[N+](=O)[O-] 603983130 IXURMANAQIHATQ-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD CCOc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)c2c[nH]c3ccccc23)cc1OC 604063345 MGVFDSGVZBMXGQ-KRWDZBQOSA-N 448.479 4.373 5 20 IIBD CCN(CC)[C@@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccsc1 604442702 OCGQBFNOBLELHF-GUYCJALGSA-N 425.938 4.276 5 20 IIBD CC(C)N(Cc1nc(O)c2ccccc2n1)C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 604446051 RSWLVZQMEWZGMX-CYBMUJFWSA-N 444.875 4.102 5 20 IIBD CCOc1cc(C(=O)NC[C@@H]2CCN(c3cc(Cl)ccc3C)C2)c([N+](=O)[O-])cc1OC 608818767 DEJZCRDKIYGGPN-HNNXBMFYSA-N 447.919 4.220 5 20 IIBD O=C(Nc1ccc(Oc2ccc(CO)cc2)cc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 609394420 UGWZFNAYRJWVRK-UHFFFAOYSA-N 430.420 4.317 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 609467497 QPWDTGXKXLZGME-GDNZZTSVSA-N 443.344 4.182 5 20 IIBD CNC(=O)c1cccc(NC(=O)[C@H](C)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1 609769558 RZRUBEOZKDOEAX-HNNXBMFYSA-N 434.452 4.186 5 20 IIBD O=C(Nc1ccc(OCCc2ccccc2)nc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 609908122 BZHAHWOMIZBODT-UHFFFAOYSA-N 429.436 4.049 5 20 IIBD COc1cc(CCNC(=O)NC(c2cccs2)c2cccs2)c([N+](=O)[O-])cc1OC 610011665 NUOLPTQMGLFNNW-UHFFFAOYSA-N 447.538 4.366 5 20 IIBD COc1ccc(N(Cc2ccco2)C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)cc1F 610175601 NFZOFQBENMHWAV-UHFFFAOYSA-N 430.388 4.200 5 20 IIBD COc1ccc2c(c1)CC[C@H](NC(=O)c1cc(OCc3ccccc3)ccc1[N+](=O)[O-])C2 618691103 BYMABYRJYHKPRA-FQEVSTJZSA-N 432.476 4.470 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)Cc1ccc(OC(F)F)c(OC)c1 619638758 CNQSFERKMABOOR-UHFFFAOYSA-N 425.388 4.267 5 20 IIBD O=C(Oc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 729246075 ZZDGJXQLXHEYMY-IBGZPJMESA-N 436.424 4.290 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2csc(-c3cccc(Br)c3)n2)cc1 730808099 HTEQPBDXZUJMJD-UHFFFAOYSA-N 441.284 4.249 5 20 IIBD COc1cc(Cl)c(C(=O)COC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1OC 731503322 BJTSZCRVXNOSTD-LLVKDONJSA-N 439.873 4.172 5 20 IIBD CN(c1ccc(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])cc1F)C1CCCCC1 731613027 FHMDUFAFPGTZEM-UHFFFAOYSA-N 429.448 4.333 5 20 IIBD Cc1ccc(COc2cccc(NC(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)c2)cc1 732014445 DZCJLSOQUHMHDM-UHFFFAOYSA-N 429.436 4.315 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCCCC1 732017651 BFSPTQFWLBRENG-OAHLLOKOSA-N 425.913 4.452 5 20 IIBD CCOc1nnc(COC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 733387921 IXTUJUWVJLOCDS-UHFFFAOYSA-N 447.856 4.086 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)c1cc(O)nc2ccccc12)c1cccc([N+](=O)[O-])c1 734122872 MDRBNUNWCGNUKH-KRWDZBQOSA-N 449.463 4.090 5 20 IIBD COC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)c1cccc(C(F)(F)F)c1 735639033 WXSZDLMTYUMPSJ-HNNXBMFYSA-N 447.207 4.494 5 20 IIBD O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 737962340 FXNNMJFXENZBKH-QGZVFWFLSA-N 425.460 4.069 5 20 IIBD CN(C[C@@H]1CCCN(Cn2c(=S)oc3ccc([N+](=O)[O-])cc32)C1)C(=O)OC(C)(C)C 738087182 WZRXAZXHSRQUPG-AWEZNQCLSA-N 436.534 4.408 5 20 IIBD CNc1ccc(C(=O)OC[C@@H]2CCC(=O)N(C)[C@H]2c2cccc(Cl)c2)cc1[N+](=O)[O-] 740599604 FBLCMBWYENWVNS-YWZLYKJASA-N 431.876 4.056 5 20 IIBD C[C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)c1cccc(F)c1 741922274 RIJMGSUEDKAGNI-ZDUSSCGKSA-N 425.382 4.205 5 20 IIBD CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C 741936710 PXOZKHGDSYOMOG-RBZFPXEDSA-N 429.904 4.495 5 20 IIBD C[C@@H](OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)Nc1ccc(Cl)cc1Cl 743126632 AHDIUEGTEUOXGP-LLVKDONJSA-N 449.250 4.271 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 743640669 RQJQOXUJPGWIRF-UHFFFAOYSA-N 442.472 4.079 5 20 IIBD O=C(NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 744001733 IESRNEVMQCPEIE-QWHCGFSZSA-N 449.699 4.164 5 20 IIBD Cc1nnc([C@@H](C)OC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)o1 744570621 PSZYICFBJYESJY-SNVBAGLBSA-N 430.804 4.110 5 20 IIBD Cc1ccc(N2CCC[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3Br)C2=O)cc1 745073105 HCLKADGVZQYKAC-QGZVFWFLSA-N 433.258 4.018 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2ccc(Br)cc2Cl)c1 745390265 BNGZMHICVBIIBP-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD C/C=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c(OC)c1 746603196 LOBNWYHQVDKRCF-ONEGZZNKSA-N 428.260 4.167 5 20 IIBD C[C@@H](c1ccc(F)cc1)N(C)C(=O)COC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 747123192 DMOLHGQBMQSRMT-NSHDSACASA-N 428.338 4.129 5 20 IIBD O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1C[C@@H](O)c1cccc([N+](=O)[O-])c1 749663173 NSNXBRJOAGTBBS-QGZVFWFLSA-N 427.869 4.420 5 20 IIBD C[C@H](OC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 750101920 MKIRHTQTVOFFLX-ZDUSSCGKSA-N 439.449 4.093 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccc(NC(=O)C2CC2)cc1 750603574 QUNZHIJHKTXBKS-NSHDSACASA-N 432.274 4.197 5 20 IIBD Cn1cc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)c(-c2ccc([N+](=O)[O-])cc2)n1 751304133 JFVIROKCADOWSO-UHFFFAOYSA-N 428.832 4.062 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(Cc1ccccc1)C[C@@H](O)c1ccco1 752775520 VMQBAFKRHZWWNM-DNVCBOLYSA-N 444.871 4.371 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)CNc1ccccc1Cl 753293610 JBEKSSWDQPRECE-UHFFFAOYSA-N 429.864 4.147 5 20 IIBD Cc1c(C(=O)Nc2cccc3c2CCN3C(=O)OC(C)(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] 753784775 WEOGXCMYWNFMDC-UHFFFAOYSA-N 442.428 4.361 5 20 IIBD O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)c1cccc([N+](=O)[O-])c1Br 753822784 ARFGHTMJMPIYLL-GFCCVEGCSA-N 438.709 4.410 5 20 IIBD COc1cc(C(=O)OCC2(OC)CCCCC2)c([N+](=O)[O-])cc1OCc1cscn1 754049834 PCEHSLWVFOQFLT-UHFFFAOYSA-N 436.486 4.145 5 20 IIBD O=[N+]([O-])c1cc(CN[C@H](CO)C[C@H](O)c2ccccc2)ccc1Oc1ccc(F)cc1 754084256 WGTUJHAXYJGNHZ-UGKGYDQZSA-N 426.444 4.100 5 20 IIBD O=C(NCc1ccccc1CN1CCCC1)c1cc(F)cc([N+](=O)[O-])c1Br 754976670 KRPYANOZUNNNAU-UHFFFAOYSA-N 436.281 4.022 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N[C@H](Cn1cccn1)c1ccccc1 755024285 LMROMXGTXBRBJF-MRXNPFEDSA-N 430.262 4.117 5 20 IIBD CCOc1cc(COC(=O)Cn2c(-c3ccc(F)cc3)c(C)sc2=O)ccc1[N+](=O)[O-] 755537992 RDUZKJIREAKXRW-UHFFFAOYSA-N 446.456 4.075 5 20 IIBD O=C(O)[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1ccc(SC(F)(F)F)cc1 756378705 HLIGGORHBGXTRO-KRWDZBQOSA-N 439.415 4.474 5 20 IIBD Cc1nc2ccccc2n1C[C@H]1CCCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 756626304 STGIOMUFBORVLY-MRXNPFEDSA-N 427.892 4.009 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(-n2ccc(C(F)(F)F)n2)c1 761394247 BYJQNCOTROHXSR-UHFFFAOYSA-N 449.341 4.023 5 20 IIBD CC(C)(C)OC(=O)NC(C)(C)c1noc(COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 762420472 AEGQAOOMNBHSIP-UHFFFAOYSA-N 446.382 4.335 5 20 IIBD O=C(OCC(=O)N1CCc2sccc2C1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 763796745 GMEUIVNHZUKVPO-UHFFFAOYSA-N 446.550 4.433 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccc(Br)c(Cl)c1 764104003 ULLJHAMNCZUTBG-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC(O)(c2ccccc2Cl)CC1 765068244 IXNMRFJWEQRBQI-UHFFFAOYSA-N 428.794 4.391 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CN3CCOC[C@@H]3C[C@H](O)c3cccs3)cs2)c1 770304253 MDGKFYHXOVQCPG-ROUUACIJSA-N 431.539 4.104 5 20 IIBD C[C@H](OC(=O)c1ccc2nc(C(F)(F)F)cn2c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 770422855 KYDCXUCUSRHIGH-JTQLQIEISA-N 447.329 4.229 5 20 IIBD C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 771765455 PKALKMTUFLXWRV-NEPJUHHUSA-N 446.426 4.381 5 20 IIBD C[C@@H](CSCc1ccccc1)C(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 772975824 OCPIKWMGURNNGC-KRWDZBQOSA-N 429.542 4.319 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cccc1[N+](=O)[O-] 775087063 OGRLXXRHXVUXDZ-ZDUSSCGKSA-N 447.469 4.496 5 20 IIBD O=[N+]([O-])c1cccc(NS(=O)(=O)c2cccc(Cl)c2Cl)c1Br 775202483 TZAMQANXIMPYEE-UHFFFAOYSA-N 426.075 4.465 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCc2cccc(NC(=O)OC(C)(C)C)c21 775771313 DPDGGURSMFXIOS-UHFFFAOYSA-N 426.473 4.251 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 778754640 ZJWUIXVUKPHCGP-CQSZACIVSA-N 432.423 4.338 5 20 IIBD COc1cc(CNC2CCN(CC3CCCCC3)CC2)c([N+](=O)[O-])cc1OCC(F)F 779064123 CZPCWPUXWSRVMJ-UHFFFAOYSA-N 441.519 4.382 5 20 IIBD O=C(Nc1ccccc1COC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccco1 779215398 IYOFPNSAVPUTIN-UHFFFAOYSA-N 432.335 4.399 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc([C@H]2COCCN2C(=O)OC(C)(C)C)no1 779574744 RTTZFZBCBPSOLW-IUODEOHRSA-N 436.490 4.140 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 780635849 NHSJHUODHVKKBZ-UHFFFAOYSA-N 442.859 4.251 5 20 IIBD O=C(O)c1ccccc1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 783962080 RVBLFJUVQGBZNZ-UHFFFAOYSA-N 437.496 4.303 5 20 IIBD O=C(O[C@@H]1CCOC2(CCOCC2)C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 786497302 OWZYNNPNQBCHBK-LJQANCHMSA-N 427.453 4.059 5 20 IIBD O=C(N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)c1cc([N+](=O)[O-])ccc1Cl 789316194 FBGUBVOJJLTAPP-HNNXBMFYSA-N 442.686 4.480 5 20 IIBD COC(=O)Cc1sc(NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)nc1-c1ccccc1 790329600 GMCQOVKVSYHMMF-UHFFFAOYSA-N 429.429 4.134 5 20 IIBD C[C@@H](OC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(OC(F)F)cc1 790741823 QLOCHQCHFONMJY-SECBINFHSA-N 446.765 4.102 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)NC2(c3cccc(OC(F)(F)F)c3)CCOCC2)c1F 791036468 YXEGXAZOMTVKDD-UHFFFAOYSA-N 442.365 4.377 5 20 IIBD COc1cc([N+](=O)[O-])ccc1COC(=O)c1cccnc1SCc1c(C)noc1C 797472871 QZXDQUPISZVUDQ-UHFFFAOYSA-N 429.454 4.253 5 20 IIBD CN(CC(F)(F)Br)C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 807863136 TVVUHXFIJTXHEA-UHFFFAOYSA-N 429.217 4.234 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN(C)Cc2ccccc2N(C)C)c1=S 808236254 ZUEALFDWHIZKRY-UHFFFAOYSA-N 426.546 4.165 5 20 IIBD C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1nc(C2CCCCC2)no1 809822359 IUSNBOITEGCNTD-VIFPVBQESA-N 449.316 4.372 5 20 IIBD Cn1c(SCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])nc2cc([N+](=O)[O-])ccc2c1=O 809963459 NTPJJXICUKHMCH-UHFFFAOYSA-N 441.252 4.349 5 20 IIBD CC[C@H](NCc1cc(I)cc([N+](=O)[O-])c1)c1ccccc1OC 809970655 HVVDMDZQLXNZPP-INIZCTEOSA-N 426.254 4.449 5 20 IIBD C[C@H](C(=O)OC[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)c1cccc([N+](=O)[O-])c1 813157672 OBXYUQYZRUPONS-ZFWWWQNUSA-N 428.432 4.134 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC[C@H]21 814152376 MCYIOHDIFMGMJV-BLLLJJGKSA-N 443.422 4.085 5 20 IIBD CO[C@@H]1CCC[C@H](C(=O)O[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 814559148 VTVTVPHGIVFOCS-UEXGIBASSA-N 426.469 4.331 5 20 IIBD CC(=O)N[C@@H](CC(=O)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1c(F)cccc1F 815205304 LBLBPKQLUJHGRT-INIZCTEOSA-N 446.328 4.203 5 20 IIBD Cc1cc(Cl)c(C(=O)O[C@@H](C(=O)N2CCc3sccc3C2)C(C)C)cc1[N+](=O)[O-] 815406717 RYAXTKBWXNBPFQ-GOSISDBHSA-N 436.917 4.384 5 20 IIBD COc1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)ccc1OC(F)F 827585852 QQSYNPYQVUSCRI-SXGWCWSVSA-N 436.392 4.441 5 20 IIBD Cc1ccc(-n2ncc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])c2C(C)C)cc1 914977330 COHGMDSRUJXHQA-INIZCTEOSA-N 436.468 4.396 5 20 IIBD Cc1ccc(-c2nc(C)c(C(=O)OCc3nc(-c4cccc([N+](=O)[O-])c4)no3)s2)o1 915253958 CBLHTFXHUPQPOM-UHFFFAOYSA-N 426.410 4.335 5 20 IIBD CN(C(=O)CCc1ccc(-c2ccccc2)o1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 916991419 PIAMCOUKBQFPBZ-UHFFFAOYSA-N 448.884 4.288 5 20 IIBD CCCCc1c(C)nc2nc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)nn2c1C 917262274 URZFNHXGMAQWDP-UHFFFAOYSA-N 448.936 4.376 5 20 IIBD CCOc1ccc(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cc1 918638313 RJBUBYQDGGNVHN-LJQANCHMSA-N 426.469 4.235 5 20 IIBD Cc1c(C(=O)O[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] 919227206 IXGOMYWHUPTEGE-HXUWFJFHSA-N 441.440 4.120 5 20 IIBD O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1 919686602 QQKJWNUXTVMYCU-SNMSSPIJSA-N 431.851 4.420 5 20 IIBD Cc1sc(CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)nc1-c1ccc(Cl)cc1 919825243 DICRDCPHQGLDPZ-UHFFFAOYSA-N 441.900 4.346 5 20 IIBD O=C(NCCOC(=O)c1occc1COc1ccccc1)c1ccc([N+](=O)[O-])cc1Cl 920148324 KPXOTBHVXOYDJP-UHFFFAOYSA-N 444.827 4.007 5 20 IIBD C[C@H](OC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1nnc(-c2cccs2)o1 920552233 VKBIHFFUQGTAJG-NSHDSACASA-N 425.426 4.025 5 20 IIBD CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1N 1116947605 ACKZCOLJIQXIDL-LIRRHRJNSA-N 448.317 4.179 5 20 IIBD COC(=O)c1cc(-c2nnc(CCCOc3ccc(Cl)cc3C)o2)cc([N+](=O)[O-])c1 1117206561 VPILXOFYOXTEMM-UHFFFAOYSA-N 431.832 4.405 5 20 IIBD CCOc1ccccc1Oc1ccc(CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cn1 1319167204 KUEUYWJVLVRFIX-UHFFFAOYSA-N 434.452 4.406 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1)N1CC[C@](O)(C2CC2)C1 1321377608 UNABSQOWFUASJK-AREMUKBSSA-N 449.551 4.041 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(-c2cccc(I)c2O)n1 1325492597 XOPSTCDDHNHWLA-UHFFFAOYSA-N 437.193 4.239 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3cc[nH]c4nccc3-4)cc2)CCC1)c1ccc([N+](=O)[O-])o1 1788454329 JDAZEXTTZOLOKE-UHFFFAOYSA-N 445.435 4.077 5 20 IIBD O=C(/C=C/c1ccco1)NC1(c2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2)CCC1 1790618683 KTOKOSRISIQYLK-PKNBQFBNSA-N 447.447 4.355 5 20 IIBD CCCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C3)cc1 1799769083 IASUGNYRHQDNCM-REPLKXPHSA-N 439.487 4.252 5 20 IIBD Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc([N+](=O)[O-])o3)n[nH]2)cc1C 1814311364 GWCSAUUHUQFEPY-QGZVFWFLSA-N 437.456 4.147 5 20 IIBD O=C(C1=CCCC1)N1CCC([C@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1824838153 DCIRXFOIQZSONA-HSZRJFAPSA-N 439.556 4.257 5 20 IIBD O=C(C1CC1)N1CCC([C@H]2CCCCN2C(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)CC1 1830294496 BVGWVIOTKZVXJC-JOCHJYFZSA-N 439.556 4.046 5 20 IIBD CC1(C)CCC(CC(=O)N2CCCC23CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C3)CC1 1845258536 YQLXQPWKXXYCIK-UHFFFAOYSA-N 431.508 4.157 5 20 IIBD Cc1cccc(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccccc3[N+](=O)[O-])C2)c1Cl 1847061217 HEXAGVAGNOBRGS-ZHACJKMWSA-N 439.899 4.087 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1)C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 10285683 YMTWWFFMYZRVHD-MNOVXSKESA-N 427.240 4.239 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)CSc1cc(Cl)ccc1Cl 11464217 DNWFZSZZXQNLEE-UHFFFAOYSA-N 429.281 4.484 5 20 IIBD COc1cc(CCNC(=O)c2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])cc1OC 16143486 PFZXNLKGXJTIBZ-UHFFFAOYSA-N 436.464 4.164 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)CCSc2ccc(Cl)cc2)c([N+](=O)[O-])c1 16718155 WMTRRPHSLBEFGC-LBPRGKRZSA-N 438.889 4.309 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)nc2sc(C)c(C)c2c1=O 22071721 NKDFVCCUSLJJLG-CYBMUJFWSA-N 446.554 4.431 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 23648946 PUYKJOHWLPWROM-UHFFFAOYSA-N 427.810 4.225 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(CCc3ccccc3)CC2)cc1OC 26060915 GTDAKHUDWBSZPV-UHFFFAOYSA-N 442.512 4.114 5 20 IIBD COc1cc(CN2CCN(Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])cc1OC(F)F 27356213 DIWHJBJRIWDENM-UHFFFAOYSA-N 441.862 4.176 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)[C@H]3CCCC[C@H]3C)cc2)cc1[N+](=O)[O-] 31383961 ABRNEUXEGXYYOC-QRWLVFNGSA-N 445.541 4.355 5 20 IIBD COc1ccc(CN(C)C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1OC(F)F 33079508 LDEWLGCTFDHAJT-LBPRGKRZSA-N 426.441 4.344 5 20 IIBD Cc1cccc(-c2cc(NC(=O)CCn3cc([N+](=O)[O-])cn3)n(Cc3ccccc3)n2)c1 63575467 MVIIGONZGKVAKM-UHFFFAOYSA-N 430.468 4.040 5 20 IIBD O=C(Cc1c[nH]c2ccccc12)N1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 301889263 SELQPORUXGVWOF-UHFFFAOYSA-N 441.491 4.029 5 20 IIBD CC(=O)N1CCc2cc(NC(=O)c3ccc(N4C[C@H](C)C[C@@H](C)C4)c([N+](=O)[O-])c3)ccc21 302056406 UGJFJLTXEAFMAN-HZPDHXFCSA-N 436.512 4.238 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(Cc2cccc(Cl)c2)CC1 302745083 FOYOJYXVNDWHQQ-OAHLLOKOSA-N 427.892 4.177 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H](c2ccc(Cl)cc2)c2cnccn2)cc1C 427272375 DOZLBWRUPNCXRF-HXUWFJFHSA-N 446.916 4.065 5 20 IIBD Cc1ccccc1C(C)(C)CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C 430303740 JMOSXIQARVMUQN-UHFFFAOYSA-N 448.317 4.007 5 20 IIBD O=C(Nc1ncc(-c2ccc(F)cc2)s1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 432216104 DQVFSIPFBLVUBA-ZDUSSCGKSA-N 446.485 4.162 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 437836143 HNROLBATKJFOPS-SWLSCSKDSA-N 433.308 4.386 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N(CCc1ccccn1)Cc1ccncc1 438091123 DVNZJVPOUPJOCY-UHFFFAOYSA-N 447.314 4.094 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)[C@H]1C[C@@]12CCCc1ccccc12)c1ccccc1[N+](=O)[O-] 438895081 OWWQKAYYSAUAEG-TYBLODHISA-N 436.508 4.388 5 20 IIBD Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 438959871 NEGTVSTVBIGDKR-UHFFFAOYSA-N 427.526 4.468 5 20 IIBD Cc1c(NC(=O)NC2(c3noc([C@@H]4CCOC4)n3)CCCCCC2)cccc1[N+](=O)[O-] 439309132 DACMXOPSBIMSSK-OAHLLOKOSA-N 429.477 4.161 5 20 IIBD C[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC2(CCOCC2)O1 442795770 CKJHQLGSBUAVMT-MRXNPFEDSA-N 428.510 4.156 5 20 IIBD Cc1ccc(C)c(-c2csc(NC(=O)Cc3noc(Cc4cccc([N+](=O)[O-])c4)n3)n2)c1 445417493 LYRBSDOIQCKUDG-UHFFFAOYSA-N 449.492 4.490 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(COc3ccc4cc(Br)ccc4c3)n2)n1C 445608504 CFPATIDRCOCEID-UHFFFAOYSA-N 444.245 4.181 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1csc(Br)c1 445817062 ZSGJJHDLVPBLNK-UHFFFAOYSA-N 434.109 4.040 5 20 IIBD CC[C@@H](NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1nc(C(F)(F)F)cs1 460397900 CTMRDHMPDMKYOX-GFCCVEGCSA-N 430.408 4.125 5 20 IIBD O=C(Nc1ccccc1O)C1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 462440691 MAMIDIFFPRARFU-UHFFFAOYSA-N 448.479 4.130 5 20 IIBD C[C@@H](CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)Oc1ccc(Br)cc1 464639709 PGYFJSGGZOSCJI-QWHCGFSZSA-N 439.331 4.422 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ccc(-c2nc3c(F)cccc3[nH]2)cc1 465128337 KMURFTKWNJUYEI-UHFFFAOYSA-N 448.410 4.230 5 20 IIBD COc1ccc(N(Cc2cccs2)C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 465129406 NZEARBDXIBQILJ-UHFFFAOYSA-N 440.477 4.212 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc(SC)cc1 466583817 FZRRSUKWVZIOSV-ZDUSSCGKSA-N 434.539 4.463 5 20 IIBD COc1cc(C(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)c([N+](=O)[O-])cc1OC(F)F 470575365 SUUYMTYDLJGZGV-ZCFIWIBFSA-N 441.334 4.171 5 20 IIBD CC(C)N(C)c1ccccc1CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 474103800 GKWLRYVYVIEYQT-UHFFFAOYSA-N 425.407 4.311 5 20 IIBD C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(Br)cn1 477798642 UHYIVDNEVOYWLR-QMMMGPOBSA-N 429.068 4.006 5 20 IIBD Cc1c(Br)cc(C(=O)N[C@H](c2ccc(F)cc2)c2cnn(C)c2)cc1[N+](=O)[O-] 479653753 WZHFPZDSQBSAAO-GOSISDBHSA-N 447.264 4.058 5 20 IIBD COc1cc(C(=O)N(CCCOc2ccccc2)C2CCOCC2)cc([N+](=O)[O-])c1C 480426741 SLDMHUXNOVDBCY-UHFFFAOYSA-N 428.485 4.002 5 20 IIBD Cc1c(CNC(=O)c2cnn(-c3ccc(Br)cc3)c2C)cccc1[N+](=O)[O-] 481484985 XPXRBOVBCZZCEP-UHFFFAOYSA-N 429.274 4.090 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(Sc3nnc(-c4ccco4)n3Cc3ccco3)cc2N1 481835746 FFPMSNORLQKPMR-UHFFFAOYSA-N 437.437 4.124 5 20 IIBD COC(=O)c1cc(OCC(=O)c2cc(C)n(Cc3cccs3)c2C)ccc1[N+](=O)[O-] 481903639 ZNYNGQVFRJTLNG-UHFFFAOYSA-N 428.466 4.171 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccc(NC(=O)c2ccco2)cc1 481942888 MACQQWQDZLWDMG-UHFFFAOYSA-N 442.859 4.135 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2cccc(OCC(F)(F)F)c2)cc1SC 482986980 DHVALRAYYYPMMU-UHFFFAOYSA-N 430.404 4.196 5 20 IIBD Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1-c1ncco1 483399673 WJKBTXVCJLXVIA-FQEVSTJZSA-N 434.452 4.110 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ncc(-c4ccccc4)cn3)cc2)c(C)c1[N+](=O)[O-] 484664456 OJNVQKVUGXVAAH-UHFFFAOYSA-N 428.452 4.166 5 20 IIBD Cc1c(NC(=O)CCN2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)cccc1[N+](=O)[O-] 485365147 VLLLZCACJFMTAJ-ZJSXRUAMSA-N 436.556 4.218 5 20 IIBD COc1cc(C(=O)N[C@H](c2ccccc2)c2cccnc2)c([N+](=O)[O-])cc1OC(F)F 485821426 XNJPIPNFBLUWIR-LJQANCHMSA-N 429.379 4.119 5 20 IIBD O=C(Nc1ccc(F)cc1OCC(F)F)c1sc(Br)cc1[N+](=O)[O-] 486450369 WSHRPVGSLWMZFC-UHFFFAOYSA-N 425.182 4.454 5 20 IIBD COc1ccc(C[C@H](C)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1OC 486716539 ZSZUKZLDRLKELK-LBPRGKRZSA-N 426.391 4.126 5 20 IIBD O=C(c1cnc2c(cnn2Cc2ccccc2)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 490438781 XAKASINIHDUFOU-UHFFFAOYSA-N 427.464 4.193 5 20 IIBD Cn1cc(NC(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)ccc1=O 490745847 MNSLLJFTAATCEA-FOWTUZBSSA-N 446.488 4.473 5 20 IIBD COc1cc(OC)c(NC(=O)CSc2ccccc2[N+](=O)[O-])cc1Br 490907255 HAHIKLXTWBJEDE-UHFFFAOYSA-N 427.276 4.105 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1nc(-c2cccs2)ns1 497978978 AYYLRAJYNSZFRG-UHFFFAOYSA-N 425.289 4.119 5 20 IIBD CC[C@H](NC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1)c1cccc([N+](=O)[O-])c1 499105126 ZNVVDBDPMNPEKF-ZBFHGGJFSA-N 439.438 4.387 5 20 IIBD COc1ccc(CCNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c(Cl)c1OC 500458285 SFWRIBBYDAOSHB-UHFFFAOYSA-N 447.900 4.361 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCc1ccc(-c2nc3ccccc3s2)o1 500806184 FKZKJMVAGKJWSH-UHFFFAOYSA-N 443.506 4.127 5 20 IIBD COc1cc(CN[C@@]2(Cc3ccc(Cl)cc3)CCOC2)c([N+](=O)[O-])cc1OC(F)F 502593225 BQQREUXJGMGCAY-HXUWFJFHSA-N 442.846 4.350 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc2nc(C3CCC3)[nH]c2c1 502957835 GMNQDXLRVBYCGE-UHFFFAOYSA-N 435.440 4.065 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)cc1OC 503181214 XLFRWNQOFGHJJJ-UHFFFAOYSA-N 440.456 4.025 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC[C@@H](Oc2ccccc2Cl)C1 504647949 SSKNZYAFOZXSJY-MRXNPFEDSA-N 426.860 4.118 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(Cc2cnc([C@@H]3CCCO3)s2)CC1 506790554 RFZNUEMTLRWZOY-KRWDZBQOSA-N 442.463 4.244 5 20 IIBD CCNC(=O)c1ccc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c(C)c1 509245000 DQTZKLZCAYIMEP-INIZCTEOSA-N 447.495 4.473 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCOc1ccc(OCc2ccccc2)cc1 510715133 MHQVPABMPQSGNT-UHFFFAOYSA-N 436.464 4.333 5 20 IIBD O=C(Nc1cc2ccc(Br)cn2n1)c1ccc(Br)cc1[N+](=O)[O-] 511288338 UBUWFDHSICKXCY-UHFFFAOYSA-N 440.051 4.020 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H](C[C@H]1CCOC1)c1ccccc1 512999737 UIUYWTPECAANTE-WBMJQRKESA-N 445.324 4.348 5 20 IIBD O=C(CSCc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 513814671 DYFISXXVXLASLD-IBGZPJMESA-N 428.510 4.353 5 20 IIBD O=C(NC[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1)c1ccco1 514221578 IEVLGSTVJDRNLG-QGZVFWFLSA-N 449.463 4.262 5 20 IIBD C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 516323087 YTVUUOQHBHOZKJ-OAHLLOKOSA-N 444.534 4.463 5 20 IIBD COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 518909302 XNFXSZOTRMPPHR-UHFFFAOYSA-N 434.420 4.293 5 20 IIBD C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 521364199 KHSGQDWVAFYESR-XOBRGWDASA-N 426.860 4.036 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N(Cc1cccc(F)c1)C[C@@H]1CCCO1 522639831 FJHPKIYXCJYTHX-SFHVURJKSA-N 436.867 4.364 5 20 IIBD CCCC(=O)NC[C@H]1CCCN(c2c([N+](=O)[O-])cnc3ccc(Br)cc23)C1 523164624 YBPBZLMGVWVZJX-CYBMUJFWSA-N 435.322 4.038 5 20 IIBD CC(C)(Cc1ccc(Br)cc1)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 524452128 ZJSROPRRZNPEIM-UHFFFAOYSA-N 443.301 4.294 5 20 IIBD COc1ccc2ccccc2c1CN(C1CCCC1)S(=O)(=O)c1cccnc1[N+](=O)[O-] 525175706 YEUGWIBQOFPKTR-UHFFFAOYSA-N 441.509 4.285 5 20 IIBD COC(=O)COc1ccc(CN2CCC[C@@H](c3nc4ccccc4s3)C2)cc1[N+](=O)[O-] 530447274 FCMJKWUZOUBISH-MRXNPFEDSA-N 441.509 4.136 5 20 IIBD O=C(CC1(N2CCOCC2)CCCC1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 530824658 XSTANTHZXXGDER-UHFFFAOYSA-N 425.485 4.361 5 20 IIBD C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 532552384 KFKFYTDWHAPSQV-OAHLLOKOSA-N 425.464 4.016 5 20 IIBD C[C@H](c1ccccc1F)N(C)C(=O)c1cc(I)cc([N+](=O)[O-])c1 534287550 SMICJOJVUMZWHZ-SNVBAGLBSA-N 428.201 4.172 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H](C3CCOCC3)C2)cc1 534400967 XFRFKSPLVNVVNZ-QGZVFWFLSA-N 426.469 4.284 5 20 IIBD COc1ccccc1[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccccn1 534840893 ONMOIWSEIMWJIM-IBGZPJMESA-N 442.269 4.280 5 20 IIBD Cc1ccc([C@H](OC[C@@H](O)Cn2cc(Br)c([N+](=O)[O-])n2)c2ccccc2)cc1 535120849 MEVDDWOEIRJIRM-PKOBYXMFSA-N 446.301 4.029 5 20 IIBD CCS(=O)(=O)c1ccc(CCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 536080223 YEPAYTOCUNIPDN-UHFFFAOYSA-N 445.522 4.083 5 20 IIBD Cc1cc(Br)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 539934261 ZUYYBENWKOCMGG-UHFFFAOYSA-N 434.275 4.187 5 20 IIBD O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 540847523 VEQYVNFSICAXQU-LBPRGKRZSA-N 438.267 4.098 5 20 IIBD COc1cc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)ccc1NC(=O)c1cccnc1 541613405 DMVKOMATXPXGKM-CYBMUJFWSA-N 438.415 4.132 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 542215626 UHLJLDFIXQWKGC-HXUWFJFHSA-N 434.901 4.379 5 20 IIBD CC[C@H](C)n1c(SC[C@H](O)COc2ccccc2[N+](=O)[O-])nnc1-c1ccccc1 543120068 HWKYMWAGZKOHKB-DOTOQJQBSA-N 428.514 4.356 5 20 IIBD COc1ccc(CSCc2nc(-c3cc(OC4CCC4)ccn3)no2)cc1[N+](=O)[O-] 545100825 RYVRWQYSXMDUSJ-UHFFFAOYSA-N 428.470 4.413 5 20 IIBD COc1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cc1N1CCCCC1=O 545167664 LZEZVRPLKWZVTJ-UHFFFAOYSA-N 429.448 4.176 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)c1 549300250 PAYPZZHURYFFKO-UHFFFAOYSA-N 432.436 4.473 5 20 IIBD Cc1c(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])cnn1-c1cccc(Br)c1 552714536 XNWCRVRDWNIDIA-UHFFFAOYSA-N 443.301 4.166 5 20 IIBD O=C(Nc1ccc(Cn2ccnc2)cn1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 553298355 OFHABFMRZYQDPS-UHFFFAOYSA-N 428.452 4.099 5 20 IIBD CCC1CCC(N(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C2CC2)CC1 556546818 PXYMNWFRSHDCIE-UHFFFAOYSA-N 438.322 4.256 5 20 IIBD CC(=O)NC1CCC(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 558935932 KSHNNDUYMFCUIE-UHFFFAOYSA-N 436.306 4.154 5 20 IIBD CN(c1ccccc1)c1ccc(CNCc2ccc(Cn3cncn3)cc2)cc1[N+](=O)[O-] 559853379 CBISPXJBEAYLEI-UHFFFAOYSA-N 428.496 4.292 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCN([C@@H]4C[C@H]4C)C[C@@H](C)C3)cc2[N+](=O)[O-])n1 572026851 KJXOHNPPSVBCMP-CKEIUWERSA-N 446.598 4.313 5 20 IIBD CC(=O)N(c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1)[C@H]1C[C@H]1C 576424732 RWUXXKOBFFNDQK-BLVKFPJESA-N 446.301 4.300 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 576512363 YKZBFMRBEAYSJA-INIZCTEOSA-N 430.766 4.361 5 20 IIBD CCOc1ccc(-c2nc(-c3cn4ccc(Br)cc4n3)no2)cc1[N+](=O)[O-] 578286343 SRRCEKJLCCRYFN-UHFFFAOYSA-N 430.218 4.121 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC[C@@](CO)(C(C)C)C3)cc2[N+](=O)[O-])n1 579751929 YZNXMYDSTPEZTI-HXUWFJFHSA-N 435.571 4.382 5 20 IIBD COC(=O)C[C@H](C)CC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 584677909 UVXKDSJVUJBTPX-GFCCVEGCSA-N 438.839 4.385 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 586770066 PIOBRCYYGHBLPH-CQSZACIVSA-N 444.431 4.191 5 20 IIBD O=[N+]([O-])c1cncc(Br)c1N1CCC(c2nc(-c3ccccc3)no2)CC1 589572134 UZUJFUUZNKGFOC-UHFFFAOYSA-N 430.262 4.186 5 20 IIBD Cc1cc(=O)c(C(=O)N[C@@H](c2ccc(Cl)cc2)C(C)C)nn1-c1ccccc1[N+](=O)[O-] 590666653 ZCMFAAZHUGYFHG-HXUWFJFHSA-N 440.887 4.230 5 20 IIBD C[C@H](Sc1nnc(COc2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1[N+](=O)[O-] 592947522 MISFKVQZAWVPJT-NSHDSACASA-N 434.861 4.330 5 20 IIBD COc1ccc(NC(=O)CNc2ccccc2C(=O)Nc2ccc(F)cc2)c([N+](=O)[O-])c1 603472769 POWRXUXUMNSZBH-UHFFFAOYSA-N 438.415 4.045 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3sccc3C)cc2)cc1[N+](=O)[O-] 603501737 ANDLPQYRUJYPEI-UHFFFAOYSA-N 431.495 4.326 5 20 IIBD CCOc1ccc(-c2noc(CCC(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)n2)cc1 603638461 PGKVGKVPYHLPSJ-UHFFFAOYSA-N 448.382 4.216 5 20 IIBD C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)c1cccc(OC(F)F)c1 603858643 OJMYVMGWJAWDIQ-CYBMUJFWSA-N 441.456 4.154 5 20 IIBD CCCCc1c(C)nc2nc(SCc3cc([N+](=O)[O-])cc4c3OCOC4)nn2c1C 603917812 DQIXXMVQRRCZRI-UHFFFAOYSA-N 429.502 4.151 5 20 IIBD C[C@@H](NC(=O)NCc1ccc(OCCOc2ccccc2)nc1)c1cccc([N+](=O)[O-])c1 604078224 WVYFHRPOJCEBTE-QGZVFWFLSA-N 436.468 4.008 5 20 IIBD CCOC(=O)C1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)CC1 604542068 VRCUHRHWTQJJHC-UHFFFAOYSA-N 442.468 4.247 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 609320248 UAKIBPJQSWDMOP-INIZCTEOSA-N 449.287 4.111 5 20 IIBD O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609494060 VLXONPBCVYTKRK-UHFFFAOYSA-N 434.452 4.117 5 20 IIBD COc1c(Cl)cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1Cl 609503121 GQQSEIXCESWVRS-LBPRGKRZSA-N 444.296 4.215 5 20 IIBD CC(C)(C)c1ccc(-c2n[nH]c(NC(=O)c3cc(O)nc4ccc([N+](=O)[O-])cc34)n2)cc1 609547561 CCCOKNIJAYQSPZ-UHFFFAOYSA-N 432.440 4.184 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 609730635 AGVHZYOYJJIWDY-AWEZNQCLSA-N 438.311 4.313 5 20 IIBD CCOC(=O)c1ccnc(NCc2cccc(NC(=O)c3cccc(F)c3)c2)c1[N+](=O)[O-] 609961450 MXKIYGOYCADVQI-UHFFFAOYSA-N 438.415 4.170 5 20 IIBD O=C(Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c1)c1ccoc1 610043287 BTRQZNYEAFWDKI-UHFFFAOYSA-N 430.214 4.455 5 20 IIBD COC(=O)[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)Cc1cccc2ccccc12 610065300 UJKFQSXOMAOKPP-LJQANCHMSA-N 434.492 4.174 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)N1CCO[C@H](C(F)(F)F)C1 611208240 GLZJRRYUPDWPQT-KRWDZBQOSA-N 443.809 4.264 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 727385003 WASXRFVFRVXEJM-LPHOPBHVSA-N 434.537 4.081 5 20 IIBD CCCC[C@@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(OC)cc1 728753246 WFDNJWZDONPPDS-JOCHJYFZSA-N 426.517 4.367 5 20 IIBD COc1cc(C(=O)Oc2ccccc2C(=O)NCCCc2ccccc2)ccc1[N+](=O)[O-] 729918894 MYLUWHBFDXUKFS-UHFFFAOYSA-N 434.448 4.185 5 20 IIBD Cc1cc(OCCOC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1C(C)C 731102410 GMJPQASHEXDWPG-UHFFFAOYSA-N 434.876 4.032 5 20 IIBD CCN1C(=O)N[C@@H](c2csc(-c3cccc([N+](=O)[O-])c3)n2)C(C(=O)OC(C)C)=C1C 733120569 DBZMEBOYIXGBDW-KRWDZBQOSA-N 430.486 4.030 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)OCC/C=C\c1ccc(Br)cc1 735333778 GLSHFDDXJGVCLQ-IWQZZHSRSA-N 447.285 4.124 5 20 IIBD CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2sc(C)nc2C)NC(=O)N1CC1CC1 736539770 URGGQNDLWZROJF-SFHVURJKSA-N 441.513 4.057 5 20 IIBD Cc1c(NC(=O)[C@@H](C)Nc2ccc(N3CCC(CN(C)C)CC3)cc2)cccc1[N+](=O)[O-] 738428845 MGIYCFYCQJMYAD-GOSISDBHSA-N 439.560 4.120 5 20 IIBD CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)OCc1ccc([N+](=O)[O-])cc1Br 739579527 HMTSZNOTJBNBMT-IBGZPJMESA-N 445.269 4.365 5 20 IIBD CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 742614507 VPSONPJSUNGCJI-CYBMUJFWSA-N 431.411 4.085 5 20 IIBD C[C@H](OC(=O)[C@@H](C)c1ccc(Br)s1)C(=O)Nc1ccccc1[N+](=O)[O-] 745638488 GCGKQQARFHVMLE-UWVGGRQHSA-N 427.276 4.093 5 20 IIBD CC[C@H](C(=O)N1CCC(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1)c1ccccc1 749934034 OBTWYMAEQGFSEO-KRWDZBQOSA-N 429.904 4.163 5 20 IIBD C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)[C@@H](O)c1ccc(F)cc1 750925346 WIKDGJIHADYABE-ANRSDYALSA-N 431.645 4.002 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC([C@H](O)c2ccccc2)CC1 751138418 OQVRPKBWMGNZPZ-QGZVFWFLSA-N 445.324 4.036 5 20 IIBD CC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)c1nc(C(F)(F)F)cs1 752252709 FHFHXBXLLNQKQU-SECBINFHSA-N 443.856 4.462 5 20 IIBD C/C(=C\C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc([N+](=O)[O-])cc1 752348318 JRGRXPHYSZEGPE-ZKQHCESOSA-N 433.804 4.130 5 20 IIBD C[C@H](NC(=O)COC(=O)c1c(F)ccc([N+](=O)[O-])c1F)c1ccc(Cl)cc1Cl 752567637 JREZNTKRUSMBAS-QMMMGPOBSA-N 433.194 4.214 5 20 IIBD COc1cc(C(=O)OCc2cc(=O)c(O)co2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 754425224 ALBQPIWNHZFCHH-UHFFFAOYSA-N 447.783 4.065 5 20 IIBD CC(=O)Nc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1Cl 754976484 ISLUBPVOWJALRE-UHFFFAOYSA-N 430.617 4.361 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC=C(c2c[nH]c3ncccc23)CC1 754976600 KISGITFGXFMWFU-UHFFFAOYSA-N 445.248 4.302 5 20 IIBD CN(Cc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 755024928 RGIJMVOAZHNUSG-MRXNPFEDSA-N 433.306 4.096 5 20 IIBD CCOc1cc(COC(=O)CCc2nnc(-c3cc4ccccc4o3)o2)ccc1[N+](=O)[O-] 755552560 DASOVXUTCCIEAK-UHFFFAOYSA-N 437.408 4.466 5 20 IIBD C[C@H](OC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1)c1ccccc1[N+](=O)[O-] 755760384 FLAOERAYVWPGKO-UGSOOPFHSA-N 447.285 4.153 5 20 IIBD C[C@H](OC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 756751010 BVEBHUHBSSDDAB-VXJOIVPMSA-N 447.658 4.159 5 20 IIBD Cc1ccc(-c2cncc(C(=O)OC[C@@H]3CCCN3C(=O)c3ccccc3[N+](=O)[O-])c2)cc1 757892265 SYFJFPKCXJSLMS-NRFANRHFSA-N 445.475 4.427 5 20 IIBD O=C1C[C@H](c2nc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)no2)CN1CC(F)(F)F 761856641 BUBQJIDNBMFCNG-ZDUSSCGKSA-N 448.357 4.315 5 20 IIBD C[C@@]1(O)CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)C1 767128622 IVOGWMGZXZHKDD-RUZDIDTESA-N 437.540 4.041 5 20 IIBD O=C(OCc1cc(=O)n2ccccc2n1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 768095746 YZTSUJPTCIALAB-UHFFFAOYSA-N 433.445 4.111 5 20 IIBD C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(OCc2ccccc2F)CC1 768800325 YODGXTJWUPPGCI-AWEZNQCLSA-N 435.883 4.396 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Br)sc1C 769630920 NSDRPOJBCVRASA-UHFFFAOYSA-N 425.713 4.490 5 20 IIBD C[C@@H](OC(=O)c1cc(Br)ncc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F 769839897 QVOBYZQEVFFIFG-MRVPVSSYSA-N 441.188 4.415 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1 772292976 YPRXGEJQZGVHGM-UHFFFAOYSA-N 443.456 4.354 5 20 IIBD CC[C@@H]1CC[C@H](C)N1C(=O)c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 772444726 MYDXHGICIMESGQ-DOTOQJQBSA-N 432.498 4.074 5 20 IIBD O=C(OCc1csc(-c2ccccn2)n1)c1sc(Br)cc1[N+](=O)[O-] 773606117 OYYBPCUUKICYND-UHFFFAOYSA-N 426.273 4.294 5 20 IIBD C[C@H](N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 775691436 VBKPUSRKXMWAKI-TWOQFEAHSA-N 430.936 4.075 5 20 IIBD CC(C)CC(=O)Nc1ccc(C(=O)O[C@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)cc1F 778778524 ZUHQWXCXBIZXKJ-SFHVURJKSA-N 429.448 4.154 5 20 IIBD CCc1[nH]nc(C(=O)N[C@@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)c1[N+](=O)[O-] 779664581 ZJZBGAWHRCJYDF-MRXNPFEDSA-N 429.477 4.035 5 20 IIBD CCC1(C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)CCN(C(=O)c2ccccc2)CC1 781325767 VEMODYSZCJDKKR-UHFFFAOYSA-N 437.452 4.112 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 781605638 DXENCGSHEKETRY-INIZCTEOSA-N 449.847 4.286 5 20 IIBD COc1ccc(-c2cc(COC(=O)c3cccc([N+](=O)[O-])c3Br)on2)cc1 781675346 UKCRDKFAYTXWEJ-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)cc2)nc1 783294714 UJVXJBPBVZRJQL-UHFFFAOYSA-N 446.463 4.220 5 20 IIBD C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 784088293 LHXBFVYEFNMCFW-GXTWGEPZSA-N 443.953 4.245 5 20 IIBD O=C(OCc1nnc(-c2cc3c(s2)CCCC3)o1)C(F)(F)c1ccc([N+](=O)[O-])cc1 784584386 WPGNBOKYFBFUOF-UHFFFAOYSA-N 435.408 4.420 5 20 IIBD COC(=O)c1cccc(-c2nc(COC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)cs2)c1 785934772 FLBXCRIKFPVNAU-UHFFFAOYSA-N 446.868 4.444 5 20 IIBD C[C@@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccccc1C(F)(F)F 785947257 ICHHIOZADYPDGW-SNVBAGLBSA-N 430.766 4.380 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)c1F 788288733 SAKKOWOAOFJXON-UHFFFAOYSA-N 425.391 4.364 5 20 IIBD COC(=O)COc1ccc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c2ccccc12 790559549 OALPDMUNAZJVPW-UHFFFAOYSA-N 446.818 4.274 5 20 IIBD CSc1ccccc1NC(=O)[C@H](C)OC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790740992 MTQNCUCWYMHEKC-JTQLQIEISA-N 426.853 4.222 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2csc(-c3ccccc3)n2)ccc1Br 795389290 TVLBNCFKFWUNKI-UHFFFAOYSA-N 440.300 4.282 5 20 IIBD Cc1c(NC(=O)C(=O)Nc2ccc3ccccc3c2)cc(Br)cc1[N+](=O)[O-] 797537353 JXILYNGGXASIGY-UHFFFAOYSA-N 428.242 4.396 5 20 IIBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)c(C)c1[N+](=O)[O-] 800972835 UFKMLSCRNCHPMF-BCDXTJNWSA-N 445.497 4.219 5 20 IIBD C[C@@H](OC(=O)[C@H](O)c1cccc(C(F)(F)F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 803809357 XSQDOYDXENCCCZ-MEBBXXQBSA-N 437.330 4.001 5 20 IIBD Cc1cc(NCc2ccc(N3C(=O)N[C@](C)(C4CC4)C3=O)cc2)c(Cl)cc1[N+](=O)[O-] 804701128 PRVNHAWDOPZPME-OAQYLSRUSA-N 428.876 4.394 5 20 IIBD C[C@H](OC(=O)c1ccccc1OC1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 805724352 GCWRLBQMGKXTLD-NSHDSACASA-N 438.358 4.339 5 20 IIBD O=C(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)Nc1cccc([N+](=O)[O-])c1Cl 809915929 UQASPMZYUSKJDX-QGZVFWFLSA-N 439.299 4.097 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](c2ccccc2)[C@@H](O)c2ccccc2)c(Cl)c1 813716095 VHYZVEQPBQQSFE-UXHICEINSA-N 432.885 4.001 5 20 IIBD CC(C)(C(=O)N1CCO[C@@H](c2ccccc2Br)C1)c1ccccc1[N+](=O)[O-] 814107502 KHEFMXZXLJBNIV-GOSISDBHSA-N 433.302 4.235 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 814239918 TVHKQJCTJATHCX-UHFFFAOYSA-N 432.476 4.089 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F 816867259 KLWIALFRTAVNMR-CQSZACIVSA-N 443.422 4.133 5 20 IIBD O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCc1csc(-c2ccco2)n1 822376354 ROVUIOCYAVCDMJ-UHFFFAOYSA-N 427.360 4.485 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccc(F)cc1 823274388 FTLGXMXVSRWPEL-JKSUJKDBSA-N 443.475 4.147 5 20 IIBD O=c1c2ccccc2n2c(S/C=C\c3ccc([N+](=O)[O-])o3)nnc2n1Cc1ccccc1 825158219 QSUHTANCYIIDCH-SEYXRHQNSA-N 445.460 4.357 5 20 IIBD C[C@@H](OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1Cl 849194823 ZYLGICNGJAWJCF-LLVKDONJSA-N 449.250 4.271 5 20 IIBD O=[N+]([O-])c1ccc(N2CCOCC2)c(-c2nc(-c3ccsc3C(F)(F)F)no2)c1 904924111 LJOYEYQKRCNPFF-UHFFFAOYSA-N 426.376 4.229 5 20 IIBD Cc1ccccc1-n1ncc(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1C 914941791 ZJPSVAQIAZJFIG-HNNXBMFYSA-N 433.424 4.365 5 20 IIBD CC1=C(C(=O)OC(C)C)[C@@H](c2csc([N+](=O)[O-])c2)NC(=O)N1CCc1cccs1 917933300 IWFMVTCPXVAFRV-QGZVFWFLSA-N 435.527 4.252 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])cc1F)N[C@@H](c1ccccc1)c1cccc(Cl)c1 919568246 FNTFFZBNMPRFGF-NRFANRHFSA-N 442.830 4.450 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCc2[nH]c3c(Br)cccc3c2C1 919873896 LUNOCGQPBUGLQE-TWGQIWQCSA-N 426.270 4.437 5 20 IIBD O=C(c1ccc(F)cc1)c1ccc(OS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 920314192 NYCRZJAVASMZGJ-UHFFFAOYSA-N 435.816 4.386 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)[C@H]3[C@H]4SC=C[C@H]43)CCC2)cc1 1785795508 RTZSFWXZKQYPQJ-NNWRFLSQSA-N 449.532 4.147 5 20 IIBD CC(C)(C)OCC(=O)Nc1ccc(C2(NC(=O)Cc3cccc([N+](=O)[O-])c3)CCC2)cc1 1786634144 PSNFKHPJPWSOQM-UHFFFAOYSA-N 439.512 4.087 5 20 IIBD Cc1ccc([C@@H](C)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc([N+](=O)[O-])cc2F)cc1 1800352234 AYAGHVFHQBBJLJ-OQIJWPOYSA-N 439.487 4.098 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc2ccoc2c1 1800352952 DQXNUPCUUJMDPC-BJWYYQGGSA-N 437.427 4.046 5 20 IIBD Cc1cccc(F)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1[N+](=O)[O-] 1804345937 WWYSVWJVIJUBMI-UNGCYLFBSA-N 437.471 4.008 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)CC(C)C)[nH]n1 1821283393 OHODESPMRGLBLV-QGZVFWFLSA-N 431.468 4.117 5 20 IIBD Cc1cc(Cl)ccc1C(=O)N1CCCC12CN(C(=O)CCc1cccc([N+](=O)[O-])c1)C2 1841152212 PLADBFATUWIPDR-UHFFFAOYSA-N 441.915 4.006 5 20 IIBD CCC1(C(=O)N2CC3(CCCN3C(=O)CCCc3cc(C)c(F)cc3[N+](=O)[O-])C2)CCC1 1841506954 AROPPOLULSPYJF-UHFFFAOYSA-N 445.535 4.149 5 20 IIBD O=C([C@@H]1CCC[C@@H]2CCCC[C@@H]21)N1CC2(CCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 1845403388 LKTYSXQCUCPDCC-ORYQWCPZSA-N 443.519 4.157 5 20 IIBD Cc1nn(-c2ccc(C(=O)O[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])cc2)c(C)c1Cl 9248771 SDAJYPWIZZWZQZ-CQSZACIVSA-N 442.859 4.235 5 20 IIBD CCOC(=O)c1cc(C(=O)N[C@H](c2ccc(F)cc2)c2cccs2)cc([N+](=O)[O-])c1 10290207 KGTDLHVHRXZXSF-LJQANCHMSA-N 428.441 4.492 5 20 IIBD Cc1nn(C)c2sc(C(=O)Oc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)cc12 12832636 DJCZCEHXSNFURJ-UHFFFAOYSA-N 436.449 4.323 5 20 IIBD COc1ccccc1OCCNC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 18075257 OGMAZQCZMDRHGT-UHFFFAOYSA-N 445.522 4.328 5 20 IIBD CC1=C(C(=O)N(C)C)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1c1ccc(F)c(Cl)c1 21267238 ROKOPGHBWJSYLX-SFHVURJKSA-N 448.907 4.185 5 20 IIBD O=C(COC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)NC1CCCC1 21630396 KGKSWEMPIILNMX-UHFFFAOYSA-N 431.876 4.076 5 20 IIBD O=C(COC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)Nc1ccc(SC(F)F)cc1 22526860 SKGHELREPUOATJ-UHFFFAOYSA-N 437.424 4.279 5 20 IIBD Cc1cccc(Nc2nnc(SCC(=O)N3CCc4ccc([N+](=O)[O-])cc43)s2)c1 23356068 OTAUDPAVEHBPTF-UHFFFAOYSA-N 427.511 4.180 5 20 IIBD Cc1c(C(=O)N2CCC(c3nc4ccccc4s3)CC2)nnn1-c1cccc([N+](=O)[O-])c1 24348341 MBACUFKOEPMPFH-UHFFFAOYSA-N 448.508 4.113 5 20 IIBD Cc1cc(C)c(NC(=O)COC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c(Cl)c1 25135255 XYLBSSUPVAOVGB-UHFFFAOYSA-N 445.903 4.263 5 20 IIBD COc1ccc(NC(=O)CCSc2nnc(-c3cccs3)n2C2CC2)c([N+](=O)[O-])c1 26410964 JCHCVUPLDRCDEF-UHFFFAOYSA-N 445.526 4.379 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(-c2ccccc2Br)n[nH]1 28806426 DLJWKMLBBOTBRO-UHFFFAOYSA-N 448.302 4.182 5 20 IIBD COc1ccc(CSCC(=O)N[C@H](C)c2ccccc2OC(F)F)cc1[N+](=O)[O-] 31917795 ABGMDTGDNSSHES-GFCCVEGCSA-N 426.441 4.315 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ncc(-c2ccccc2)o1 60627822 ICTLLOPVWWSIMP-UHFFFAOYSA-N 434.374 4.387 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NCc2cccc(OCC(F)(F)F)c2)c([N+](=O)[O-])c1 64113330 LORNFADQOAMURF-UHFFFAOYSA-N 434.374 4.113 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2nnc(-c3ccc(C)cc3C)s2)cc1OC 65084266 ZRFWVVYNZGWNQZ-UHFFFAOYSA-N 428.470 4.390 5 20 IIBD COc1cc([C@@H](C)NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)ccc1OC1CCCC1 109264276 PLMZHVLTXFJABE-CQSZACIVSA-N 432.448 4.320 5 20 IIBD COc1ccc(-c2ccc(CN[C@H](CN3CCOCC3)c3ccccc3)o2)c([N+](=O)[O-])c1 237426327 OBJNWRRZKANXRM-JOCHJYFZSA-N 437.496 4.027 5 20 IIBD C[C@H](NC1(CNc2ncc([N+](=O)[O-])cc2Br)CCOCC1)c1ccccc1 301565494 VNEUHPCMOIKOBW-AWEZNQCLSA-N 435.322 4.064 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(N2CCC(c3nc4cc(Cl)ccc4o3)CC2)c1[N+](=O)[O-] 301985370 LKLGDIUCFWBPPU-UHFFFAOYSA-N 446.847 4.482 5 20 IIBD CCC[C@@H](NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 303199588 YYJURUXPHCVARN-FZKQIMNGSA-N 437.418 4.390 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cc(Cl)c(C)cc2Br)c([N+](=O)[O-])c1 325637830 YRUFQIADEUSXBZ-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD O=C(CCCc1ccccc1Br)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 428513597 YCTXTLMPJDKQSP-UHFFFAOYSA-N 435.274 4.480 5 20 IIBD COC(=O)[C@@H]1CCO[C@H]1C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 430102531 OWJHLDRTOLHLQY-NQIIRXRSSA-N 448.903 4.298 5 20 IIBD CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 430446153 FNVYUCGGHHPOBM-FUHWJXTLSA-N 429.687 4.214 5 20 IIBD O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 430471454 OHXJFAQHNZOHPT-AZUAARDMSA-N 440.393 4.256 5 20 IIBD CSc1ccc([C@H](CC(=O)O)NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1 431788283 KBHFQFPQOYUOJL-AWEZNQCLSA-N 440.930 4.394 5 20 IIBD COc1ccc(C[C@H](NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c2ccc(OC)cc2)cc1 433711209 DATCOMZELNHWON-IBGZPJMESA-N 438.484 4.172 5 20 IIBD O=C(c1ccc(N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl)N1CCCCC1 433723947 VCKRIGGCTXYZSK-HXUWFJFHSA-N 442.903 4.092 5 20 IIBD CC(C)c1[nH]nc(C(=O)NCC2(c3ccc(Cl)cc3Cl)CCOCC2)c1[N+](=O)[O-] 433981167 MFASVLSFZBFRRW-UHFFFAOYSA-N 441.315 4.226 5 20 IIBD C[C@H]1CCCCN1CCCCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436111789 POSIAQMAILUPPK-HNNXBMFYSA-N 427.495 4.344 5 20 IIBD CC1CCN(C[C@H]2CCCN(C(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)C2)CC1 436254239 SOKNOJGSSCWWKR-GOSISDBHSA-N 435.543 4.405 5 20 IIBD O=C(Nc1nc2cc(Br)ccc2n1Cc1ccccc1)c1ccc([N+](=O)[O-])[nH]1 437005441 PGXLUFWEKLDCOO-UHFFFAOYSA-N 440.257 4.336 5 20 IIBD CC(C)(C)Oc1c(F)cc(NC(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1F 437051143 PLCNDMLIFZIAMF-UHFFFAOYSA-N 447.438 4.180 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)c(Cl)c1 437168357 QNGHTXLLHNYYPW-UHFFFAOYSA-N 445.309 4.145 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(NCc3cc([N+](=O)[O-])ccc3OC(F)F)cc2)C[C@@H](C)O1 437263822 UOCIJASJVLPACX-ZIAGYGMSSA-N 435.427 4.058 5 20 IIBD O=C(NCCCN1CCCCCC1=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] 440424004 RCCQXGYNYIRBPB-UHFFFAOYSA-N 427.526 4.269 5 20 IIBD Cc1cc(I)cnc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 440683523 YITFQSLGDPDBRR-UHFFFAOYSA-N 439.234 4.370 5 20 IIBD Cc1cc(-c2nc(-c3c([N+](=O)[O-])nc(C)n3C)no2)nn1-c1ccc(Cl)c(Cl)c1 445622350 ZRSWWJCSFLXDNZ-UHFFFAOYSA-N 434.243 4.155 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1ccc(Br)s1 445731310 DYXIDZXFHQWVKW-UHFFFAOYSA-N 434.109 4.040 5 20 IIBD COc1cc(Cc2noc(-c3ccc(Br)cc3F)n2)c([N+](=O)[O-])c(OC)c1 445823374 DKQCTAYBUJQCNX-UHFFFAOYSA-N 438.209 4.154 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Nc2nnc(Cc3ccc4ccccc4c3)o2)cc1[N+](=O)[O-] 446783277 IJBUMLBIHNQIKM-UHFFFAOYSA-N 438.465 4.139 5 20 IIBD CC[C@H](C(=O)OC)N(C(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccccc1 447325848 OUMFEGVNEBEKMY-LLVKDONJSA-N 427.276 4.017 5 20 IIBD CS(=O)(=O)CC[C@H](C(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1)c1ccccc1 448348729 NVKZNAKHKSOZID-NRFANRHFSA-N 430.526 4.089 5 20 IIBD CCn1c(-c2ccc(Br)s2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 460214803 IKKABKOGGNYWOQ-UHFFFAOYSA-N 434.319 4.260 5 20 IIBD C[C@@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])Oc1cccc(Br)c1 462927314 RXSVQLPNVCWQBY-LBPRGKRZSA-N 434.290 4.129 5 20 IIBD CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 463134949 QPHQPNOYZGARBV-SFHVURJKSA-N 426.860 4.190 5 20 IIBD CC[C@H](C)N(C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)c1ccc(C(N)=O)cc1 463606786 OWAQQOVTWYEIHX-NSHDSACASA-N 434.290 4.210 5 20 IIBD CC[C@@H]1Oc2cc([C@H](C)NC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)ccc2NC1=O 465361885 DAYYQMVVTUGJSQ-DJJJIMSYSA-N 425.485 4.493 5 20 IIBD Cc1nc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)oc1-c1ccc(Cl)cc1 468285650 JWKRHXPIOFEPTF-UHFFFAOYSA-N 440.887 4.170 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](CC)Cc1ccc(Cl)cc1Cl 469342288 HHOQTWCGLOZKGX-ZBFHGGJFSA-N 442.347 4.272 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1 472633913 FEUAPXKHJYXUCK-UHFFFAOYSA-N 437.349 4.007 5 20 IIBD C[C@H](NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1cccc([N+](=O)[O-])c1 473426143 NOJCTTVSIRWZJD-MEDUHNTESA-N 437.283 4.067 5 20 IIBD COC(=O)[C@H]1CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C[C@H]1C 476753065 HKWJBNQXDIHDCS-PBHICJAKSA-N 445.903 4.132 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c1C 481610639 OYIGSLPHOTZFFB-UHFFFAOYSA-N 431.495 4.326 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(CC2CCCCC2)CC1 484286787 CVSAOEDLKWLVBX-UHFFFAOYSA-N 435.590 4.062 5 20 IIBD CSc1cccc(C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)c1[N+](=O)[O-] 486488463 OEUORSHEIJBVTM-UHFFFAOYSA-N 443.506 4.370 5 20 IIBD COC(=O)c1cc(NC(=O)NCCc2c[nH]c3ccc(Cl)cc23)c(C)c([N+](=O)[O-])c1 486872110 IMRQYHUHIDJLPG-UHFFFAOYSA-N 430.848 4.189 5 20 IIBD CNC(=O)c1ccc(OC)c(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 490583473 VLLQMKIMISPERA-UHFFFAOYSA-N 437.477 4.367 5 20 IIBD CC(C)CCSc1ccc(C(=O)N(C)CC(=O)NCc2cccs2)cc1[N+](=O)[O-] 493926305 PMQXMQSQQKCMHO-UHFFFAOYSA-N 435.571 4.183 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccccc2COc2ccccc2)cc1[N+](=O)[O-] 494041076 ZGUFKOHTMHFGPK-QGZVFWFLSA-N 433.464 4.298 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NCc1ccccc1CN1CCCC1 494244891 MKIHDGSKYSONPU-UHFFFAOYSA-N 436.434 4.209 5 20 IIBD CCc1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)n[nH]1 496756038 ZJFIDGSEAXLGKK-GFCCVEGCSA-N 428.880 4.032 5 20 IIBD COc1ccc(-c2nc(C)c([C@H](C)NS(=O)(=O)c3cccc([N+](=O)[O-])c3C)s2)cc1 506252486 DCYFJFDOBUTQFM-AWEZNQCLSA-N 447.538 4.383 5 20 IIBD O=[N+]([O-])c1cc(F)c(CN2CCO[C@H](c3ccc(F)c(Br)c3)C2)c(F)c1 509154099 RACLUZFVWWWZQO-KRWDZBQOSA-N 431.208 4.348 5 20 IIBD Cc1c(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)ccc(F)c1N1C(=O)CNC1=O 509411034 QFGMSNKZXPMOIN-UHFFFAOYSA-N 440.456 4.439 5 20 IIBD CCOc1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c(OCC)cc1NC(=O)c1ccccc1 511987578 GPMHIEODYXLNST-UHFFFAOYSA-N 438.440 4.225 5 20 IIBD C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)c2)C1 513242235 YOAOTEUAMLOTSQ-DNVCBOLYSA-N 446.525 4.346 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(OCc2cccc(F)c2)c1 515697562 UZTFFDKGCWYBDH-UHFFFAOYSA-N 432.429 4.122 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2OCC)cc([N+](=O)[O-])c1 516341888 LUNDUUKUXCWQSV-UHFFFAOYSA-N 426.347 4.441 5 20 IIBD CCOc1ccc(C(F)(F)F)cc1N[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 516838871 SVDBIYLQVZOCFW-LLVKDONJSA-N 427.379 4.460 5 20 IIBD O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 517385774 ZPGMNGMAQHVSEA-UHFFFAOYSA-N 446.463 4.063 5 20 IIBD C[C@@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)c3cc(O)nc4ccc([N+](=O)[O-])cc34)cc2)C1 517643351 WPDLACDQGVKRGQ-IAGOWNOFSA-N 448.523 4.257 5 20 IIBD Cc1ccc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1C(=O)NC(C)C 518180757 LIKMRJYMRYPHEM-UHFFFAOYSA-N 449.511 4.155 5 20 IIBD CCOc1cc(NC(=O)N(Cc2ccc(O)c(OC)c2)C2CC2)c([N+](=O)[O-])cc1OCC 518747715 VNOZWTYOSOEZEC-UHFFFAOYSA-N 445.472 4.303 5 20 IIBD Cc1c([C@@H](C)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cnn1-c1ccc(F)cc1 519137239 IWIYEZQPBCEXGO-OAHLLOKOSA-N 437.475 4.319 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(-c2cccnc2OCC(F)F)no1 521509154 PXARBSOVOCEGAM-UHFFFAOYSA-N 441.188 4.422 5 20 IIBD CC(C)COc1ccc(NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1Cl 521723081 GWOYHJXPTWVHSZ-UHFFFAOYSA-N 440.283 4.305 5 20 IIBD Cc1ccc(CN2CCOCC2)cc1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 523148525 QXERQQPHDLDBEJ-UHFFFAOYSA-N 438.509 4.111 5 20 IIBD COc1ccc(N(Cc2ccco2)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1F 523505131 AYYKZPOLXULSMN-UHFFFAOYSA-N 436.399 4.368 5 20 IIBD CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 523510813 BSSAXOUZXTZKBI-UHFFFAOYSA-N 447.557 4.158 5 20 IIBD C[S@](=O)Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)ccc1Cl 524256956 DZLNHKFHKNVFSB-DEOSSOPVSA-N 431.695 4.142 5 20 IIBD CC(C)c1cc(Br)ccc1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 535522560 UFYUGAAMHFNSEI-UHFFFAOYSA-N 430.262 4.314 5 20 IIBD Cc1nn(CCC(=O)NCc2ccc(Sc3ccc(F)cc3)cc2)c(C)c1[N+](=O)[O-] 536913017 CDGOLWUGUHBPQT-UHFFFAOYSA-N 428.489 4.405 5 20 IIBD O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])cc1Br 536942168 ZUGXQVMGBGMVFT-HOTGVXAUSA-N 443.656 4.410 5 20 IIBD CC[C@@H]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3Sc3nc[nH]n3)sc2C1 537216375 VWVIGVOVUSXCIN-SNVBAGLBSA-N 430.515 4.088 5 20 IIBD C[C@@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(OCc2ccccn2)c1 539252630 LLIWLFZZKBPAIR-HXOBKFHXSA-N 432.480 4.025 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 539372690 GMOVWCRFSOQHAP-IAGOWNOFSA-N 435.590 4.057 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 542014378 JLXZWOPFZIZOGM-LLVKDONJSA-N 449.336 4.281 5 20 IIBD CC(C)CNC(=O)N1CCC[C@@H](CC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 542928486 XAKMHFFIYWUZRI-ZDUSSCGKSA-N 430.427 4.020 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1F)NC1(c2cccc(Br)c2)CCOCC1 543641068 KOSCQDOXHKAKGZ-UHFFFAOYSA-N 438.253 4.324 5 20 IIBD COc1ccc(N2C(=O)C3(CCCC3)N[C@H]2c2ccc([N+](=O)[O-])cc2Cl)cc1OC 544044145 BYIDPGDXTBSEQO-LJQANCHMSA-N 431.876 4.213 5 20 IIBD COCCOc1ccc(Cc2noc(-c3ccc([N+](=O)[O-])cc3Br)n2)cc1 545783672 ATUGFSOCOFANEN-UHFFFAOYSA-N 434.246 4.023 5 20 IIBD COc1cc(/C=C/c2nc(CCNc3ccccc3[N+](=O)[O-])no2)ccc1OC(F)F 546375192 AMTRBXGNRRXWTK-VQHVLOKHSA-N 432.383 4.413 5 20 IIBD CCc1cccc2c(Cc3noc(CCCn4c(=O)oc5cc([N+](=O)[O-])ccc54)n3)c[nH]c12 547087534 DRSWSYOAJVAHFK-UHFFFAOYSA-N 447.451 4.153 5 20 IIBD COc1ccc(CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H](C)C2CC2)c(OC)c1 549186640 MQBFNTJFZLZZQE-OAHLLOKOSA-N 438.484 4.463 5 20 IIBD COc1ccc(CCN(Cc2ccccc2)C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 555818461 ZCQTWCWHFJLNRC-UHFFFAOYSA-N 447.491 4.122 5 20 IIBD CCc1[nH]nc(C(=O)NC[C@H](OCc2ccccc2)c2ccc(Cl)cc2)c1[N+](=O)[O-] 557729884 UBPOGEUIMABEJZ-SFHVURJKSA-N 428.876 4.222 5 20 IIBD O=C(N[C@@H](CO)c1ccc(Br)c(F)c1)c1cc2cc([N+](=O)[O-])ccc2s1 558036623 URHIKTAGIMEXOU-AWEZNQCLSA-N 439.262 4.175 5 20 IIBD O=C(N[C@H](CO)c1ccc(Br)c(F)c1)c1cc2cc([N+](=O)[O-])ccc2s1 558036626 URHIKTAGIMEXOU-CQSZACIVSA-N 439.262 4.175 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(C(=O)Cc2ccccc2)C1 558727859 UGQVXIZBFIRGLU-SFHVURJKSA-N 441.553 4.060 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CC(=O)OC)c2ccc(C(F)(F)F)cc2)c1 558802305 GTHKFZKRPQZWAX-INIZCTEOSA-N 440.374 4.047 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)cc1[N+](=O)[O-] 564754369 BYFDCIKYNQZVLC-SJLPKXTDSA-N 428.489 4.494 5 20 IIBD CN1CC[C@@H](NCCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]1c1ccc(Cl)cc1 568803333 OCQVDYXIWVNLKI-KNQAVFIVSA-N 426.904 4.481 5 20 IIBD O=C1CCCN1c1cc(-c2nc(Cc3ccccc3[N+](=O)[O-])no2)cc(C(F)(F)F)c1 571250975 CNWZNKOFBXRIPS-UHFFFAOYSA-N 432.358 4.381 5 20 IIBD COc1cc(-c2noc([C@@H](C)c3cccc([N+](=O)[O-])c3)n2)ccc1OC[C@H]1CCCO1 575364611 ZEKYQVTYZXWUKL-KBXCAEBGSA-N 425.441 4.363 5 20 IIBD CC(=O)Nc1cccc(NCc2cc(I)cc([N+](=O)[O-])c2)c1C 576152806 ZYEAGHLNVCGPSB-UHFFFAOYSA-N 425.226 4.078 5 20 IIBD O=[N+]([O-])c1ccc(C(F)(F)c2nc(-c3cn4ccc(Br)cc4n3)no2)cc1 578054610 BTHKCSRSEBNMTO-UHFFFAOYSA-N 436.172 4.195 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@H](Cc1ccccc1)C(F)(F)F 582756645 BEUIMBDINBTLAX-AWEZNQCLSA-N 445.235 4.437 5 20 IIBD COC(=O)c1cccc(OCc2noc(-c3cc([N+](=O)[O-])cc(Br)c3C)n2)c1 585731212 VFJHOMLDMUVRAS-UHFFFAOYSA-N 448.229 4.081 5 20 IIBD O=C(NCC1(N2CCSCC2)CCCCC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 590243679 FUNCINVJLNPLGM-UHFFFAOYSA-N 431.480 4.095 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)s1 603502075 VWZRVWKHLHSQSH-UHFFFAOYSA-N 431.495 4.326 5 20 IIBD COc1ccc(CSCC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1[N+](=O)[O-] 603574119 FBQKVJGHWTUTLT-UHFFFAOYSA-N 438.509 4.029 5 20 IIBD O=C(CC1CCN(c2c([N+](=O)[O-])cnc3ccc(Br)cc23)CC1)N1CCCC1 603860937 NANHTNBYGZIJOB-UHFFFAOYSA-N 447.333 4.134 5 20 IIBD CS(=O)(=O)c1ccc(Sc2nnc(-c3ccc4ccccc4c3)o2)c([N+](=O)[O-])c1 603864468 GVMAQWUMEVOORV-UHFFFAOYSA-N 427.463 4.353 5 20 IIBD COc1ccc(CNC(=O)Nc2cc(C)nn2-c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 604087009 KZUNMUDOGZNMMS-UHFFFAOYSA-N 449.389 4.438 5 20 IIBD COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)NCc1cccc([N+](=O)[O-])c1)CC2 604475210 PRGJNDRHBGCPBO-DEOSSOPVSA-N 447.491 4.469 5 20 IIBD O=C(Nc1nc(-c2ccco2)cs1)c1ccc([N+](=O)[O-])cc1I 604566598 BATCTZRAJKTNFX-UHFFFAOYSA-N 441.206 4.168 5 20 IIBD CCCCC1CCC(C(=O)Nc2ccc(CNC(=O)c3n[nH]c(C)c3[N+](=O)[O-])cc2)CC1 608914699 ZCTCIJLOYKQQBS-UHFFFAOYSA-N 441.532 4.491 5 20 IIBD COC(=O)c1[nH]c(C)cc1NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 609482175 SRXWTQILRUPJPT-UHFFFAOYSA-N 432.483 4.186 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc3nc(-c4ccc(F)cc4)oc3c2)ccc1O 609511603 BCMPURKUMNJHOF-UHFFFAOYSA-N 429.385 4.049 5 20 IIBD CN1CCC(N2CC[C@H](NCc3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)C2)CC1 609571515 LXGVVOIAXNXOMQ-IBGZPJMESA-N 444.963 4.299 5 20 IIBD COc1ccc(CSCC(=O)N2CCC(Oc3ccc(C)cc3)CC2)cc1[N+](=O)[O-] 609729650 BRPFLYXLPHWPBH-UHFFFAOYSA-N 430.526 4.215 5 20 IIBD C[C@H](CCN(C)C)NC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 609810899 UUJICBXEYYCWJW-CYBMUJFWSA-N 438.887 4.319 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CCC(c3ccccc3F)CC2)ccc1[N+](=O)[O-] 609864258 SESUTLSOJKPKSO-QFIPXVFZSA-N 439.487 4.053 5 20 IIBD O=C(Nc1ccc(NC[C@H]2CCCO2)c(F)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 610069218 DYVBMNNQGICGTB-QGZVFWFLSA-N 428.464 4.177 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C)c(OCC(=O)N2CCCCC2)c(C)c1 610168950 XAEAXTHGCOHJNE-UHFFFAOYSA-N 425.485 4.164 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c2ccccc2N(C)C1=O 610209605 NNHKRIHXBUBBKN-KRWDZBQOSA-N 444.491 4.466 5 20 IIBD COc1cc(Br)c(C(=O)CSc2ccc([N+](=O)[O-])cc2F)cc1OC 618964141 DVKDHCVCDCMGBK-UHFFFAOYSA-N 430.251 4.489 5 20 IIBD COc1cc(-n2cccc2)c(Cl)cc1C(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 725944304 AKJFRZCSFYKDLX-CYBMUJFWSA-N 443.843 4.232 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cnc(Cc2ccc(F)cc2)s1 727218949 SYJLHDAZSTYAJP-UHFFFAOYSA-N 440.412 4.188 5 20 IIBD C[C@@H](CCc1ccco1)NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727472989 BJXXYSAQRGNAKZ-AWEZNQCLSA-N 440.422 4.060 5 20 IIBD CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 727567005 UKXWWBAXWVAZJU-KBPBESRZSA-N 428.441 4.064 5 20 IIBD C[C@H](OC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)Nc1ccc(Br)cc1 730643402 BFURWWVIYREHGN-VIFPVBQESA-N 427.638 4.195 5 20 IIBD O=C(CSCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Nc1ccc2ccccc2c1 735319973 HDBPJYNCTJLLRT-UHFFFAOYSA-N 437.477 4.418 5 20 IIBD NC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccc([N+](=O)[O-])cc1Br 739473284 HAIVQIBVYPAQDP-UHFFFAOYSA-N 446.282 4.437 5 20 IIBD CC(C)(C(=O)OCc1nnc(-c2ccc(Br)o2)o1)c1ccc([N+](=O)[O-])cc1 740394236 BEAPNGDSMDIIRQ-UHFFFAOYSA-N 436.218 4.021 5 20 IIBD C[C@@H](C(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Br)s1 745638487 GCGKQQARFHVMLE-NXEZZACHSA-N 427.276 4.093 5 20 IIBD CNC(=O)c1cc(Oc2cc(NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)ccc2C)ccn1 748564315 VZQUEIUNZZRYGM-POHAHGRESA-N 432.436 4.102 5 20 IIBD C[C@@H](OC(=O)c1cc(-c2cccc(Cl)c2)no1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 748925677 OVXGKINJXBLLOM-SNVBAGLBSA-N 433.779 4.226 5 20 IIBD CC(C)Oc1ccccc1CC(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 748954364 JFHMIQRKAOVJEB-UHFFFAOYSA-N 440.374 4.125 5 20 IIBD CC(C)CC(=O)Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Br)c1 751109531 YCAYHTJOZNMFQO-UHFFFAOYSA-N 434.290 4.272 5 20 IIBD O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCc1nc(C(F)(F)F)cs1 751610467 RKXKOFQTNXSPGJ-UHFFFAOYSA-N 429.298 4.244 5 20 IIBD O=C(OCc1cn2cc(Cl)ccc2n1)c1cc([N+](=O)[O-])c(Br)cc1F 751690190 GZEOQXJPNOPIPX-UHFFFAOYSA-N 428.601 4.155 5 20 IIBD C[C@H](OC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 752202877 XWANDDGBYAUJCC-NSHDSACASA-N 449.341 4.453 5 20 IIBD CCS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1Cl 752417431 XXMUXRMPBFTSJR-NSHDSACASA-N 445.324 4.495 5 20 IIBD C[C@H](OC(=O)c1ccc(Cl)c(Br)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 753424603 CXNAHRTZXKPFMQ-VIFPVBQESA-N 427.638 4.195 5 20 IIBD O=C(NCc1cccnc1OC1CCCC1)c1cc(F)cc([N+](=O)[O-])c1Br 754631343 NDUONGBKXIKHLK-UHFFFAOYSA-N 438.253 4.143 5 20 IIBD CCN(CC)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1ccsc1 754631950 ORWDPZUJZIBLLC-OAHLLOKOSA-N 444.326 4.371 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 760858759 ADMSKCYJPMTIKQ-NVXWUHKLSA-N 430.505 4.375 5 20 IIBD C[C@@H](OC1CCCCCC1)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 761322044 ORNXUNFESLDUPZ-GFCCVEGCSA-N 432.395 4.223 5 20 IIBD Cc1ccc(-c2noc(Cc3noc(-c4cc(Br)cc([N+](=O)[O-])c4)n3)n2)cc1 761390813 UEJRDZFQQCJUBV-UHFFFAOYSA-N 442.229 4.357 5 20 IIBD O=C1CN(CNC2(c3cccc(C(F)(F)F)c3)CCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 764136440 YOZZAVMWJYGMOQ-UHFFFAOYSA-N 448.401 4.009 5 20 IIBD CCc1ccc2c(c1)[C@H](OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1)CCO2 765174184 GUZSZEUEEHTXPB-IFMALSPDSA-N 438.480 4.137 5 20 IIBD O=C(Nc1nnc(/C=C\c2ccco2)s1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 765355771 YPBVVMNKRFDCRG-CLFYSBASSA-N 425.470 4.452 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(Cc2cccc3cccnc23)CC1 765370743 UOHLFOGOHWWPFI-HXUWFJFHSA-N 432.524 4.056 5 20 IIBD CC(C)N(CCS(C)(=O)=O)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 769502538 ZLKBLCFKEJWYPU-UHFFFAOYSA-N 426.922 4.296 5 20 IIBD C[C@H](OC(=O)CCCC(F)(F)F)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 771135442 FCLQTVHUIWCFJJ-JTQLQIEISA-N 431.392 4.321 5 20 IIBD Cc1cccc(-c2nc(C)c(C(=O)OC[C@H]3CCCN3C(=O)c3ccccc3[N+](=O)[O-])[nH]2)c1 772661057 YQQDXFKBOPEWTE-GOSISDBHSA-N 448.479 4.063 5 20 IIBD C[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(S(=O)(=O)N2CCCCC2)cc1 773041193 OPBURLOHHKTGFX-HNNXBMFYSA-N 437.949 4.274 5 20 IIBD Cc1noc(C)c1CCC(=O)O[C@@H](c1ccc(Br)cc1)C(C)(C)[N+](=O)[O-] 774375886 VNLQSDOGSMOAKK-KRWDZBQOSA-N 425.279 4.326 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1cccc(N2CCCC2=O)c1 774636898 YRMKKKZTXZMXJH-UHFFFAOYSA-N 426.472 4.025 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(N2CCOC2=O)c1 777309317 LLCJGJLROXPXIL-UHFFFAOYSA-N 429.498 4.374 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(NC(=O)c2ccccc2)c1 777917725 BITOKPNXLNVFHL-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD Cc1c(Cl)cccc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 778886944 FRARIWYHGDQJQI-JTQLQIEISA-N 428.775 4.342 5 20 IIBD CSc1ccc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1 778891035 OCQIPLWFEMUJIT-JTQLQIEISA-N 426.397 4.102 5 20 IIBD C[C@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC[C@@H]1NC(=O)OC(C)(C)C 780776102 LNWLKLSEZWAVNV-KXBFYZLASA-N 435.524 4.057 5 20 IIBD Cc1cc(COC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)ccc1[N+](=O)[O-] 781172287 LUVLAUWJSQUPCN-UHFFFAOYSA-N 425.462 4.234 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 781360091 QJEHIYILAQWEQH-GOSISDBHSA-N 449.551 4.061 5 20 IIBD O=C(CCN1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1)Nc1cc([N+](=O)[O-])ccc1F 782530082 AEPGKBBDHLGRAA-INIZCTEOSA-N 444.511 4.108 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)OCC(=O)Nc3cc(F)ccc3F)cc2[N+](=O)[O-])C1 787424246 HQKQKTPKOPZHEJ-OKILXGFUSA-N 447.438 4.151 5 20 IIBD C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 789165999 COFIPCXIWJVKDQ-AWEZNQCLSA-N 446.891 4.150 5 20 IIBD C[C@H](Nc1ccc(C(=O)Oc2cccc(-c3ncn(C)n3)c2)cc1[N+](=O)[O-])c1ccccn1 789536071 KQSHLHAVZLAXRH-HNNXBMFYSA-N 444.451 4.178 5 20 IIBD CCOC1CC(CCNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 789855791 RJSWICWTZREIAU-UHFFFAOYSA-N 445.903 4.436 5 20 IIBD O=C(COC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Cc1ccc(Br)cc1 795643479 XVZQEHCKUHFWNP-UHFFFAOYSA-N 444.640 4.047 5 20 IIBD CCCC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc1 796443055 AUYRFJTVUYMUTG-OAHLLOKOSA-N 426.469 4.426 5 20 IIBD C[C@@]1(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCN(Cc2ccccc2)C1 799013945 ZWIPJXDSWZHRDO-MHZLTWQESA-N 425.532 4.323 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc23)C[C@H]1c1ccccc1 799986452 OWANQAZKNVYGNF-AZUAARDMSA-N 435.484 4.035 5 20 IIBD O=C(COC(=O)c1ccc(C(F)(F)F)cc1N1CCCC1)Nc1ccccc1[N+](=O)[O-] 803789680 DEOZYDHCDDTNGE-UHFFFAOYSA-N 437.374 4.009 5 20 IIBD COc1cc(C(=O)OCC(=O)c2c(C)cc(C)c(C)c2C)c([N+](=O)[O-])cc1OC(F)F 809141615 JGOKLJMYXJZFRW-UHFFFAOYSA-N 437.395 4.478 5 20 IIBD COC(=O)c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cc1Cl 809833108 VOQZYSOLJRASRB-UHFFFAOYSA-N 440.644 4.109 5 20 IIBD O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)Nc1cccc([N+](=O)[O-])c1Cl 809915489 PBLLTCGLUWYZGP-SECBINFHSA-N 434.663 4.116 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2cnc3onc(-c4ccccc4)c3c2)c2cccnc12 810065507 WKAKVVZUAPHIJM-UHFFFAOYSA-N 448.416 4.114 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ncc(C(C)(C)O)s2)cc1[N+](=O)[O-])c1ccccn1 811619994 PVVPFAOKYCHOBG-GFCCVEGCSA-N 427.486 4.099 5 20 IIBD O=C(Nc1ccc(OC(=O)[C@H](O)c2ccc(Cl)cc2F)cc1)c1cccc([N+](=O)[O-])c1 813385736 WJWSXIQMWNATMY-LJQANCHMSA-N 444.802 4.279 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2C[C@H]3CCCCN3c3ccccc32)c(Cl)cc1Cl 815093770 SDKLINHYOMQJQY-GFCCVEGCSA-N 442.324 4.469 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 815789050 UHJXOCJZAKKIQL-STQMWFEESA-N 445.438 4.379 5 20 IIBD COc1cc(-c2noc(-c3ccc4c(c3[N+](=O)[O-])OCCCO4)n2)cc(Cl)c1OC 904409001 WJIAFBBRTGECBO-UHFFFAOYSA-N 433.804 4.144 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)cc1[N+](=O)[O-] 915871483 VPPAIBLTAQZHIK-UHFFFAOYSA-N 433.270 4.267 5 20 IIBD O=C(Nc1cccc(COc2ccccc2)c1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 917855278 TZQOEKKUPBAUTM-QGZVFWFLSA-N 449.438 4.305 5 20 IIBD O=C(Nc1ccc(Cl)cc1NC(=O)c1ccco1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 918095392 YGPLDXFOKCHPKZ-UHFFFAOYSA-N 430.760 4.254 5 20 IIBD CC(C)N(Cc1cccc(F)c1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 919931253 LGXSQHIDHFNVSQ-UHFFFAOYSA-N 431.283 4.096 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1I)c1ccccc1[N+](=O)[O-] 920267125 GSJRJCWMSBJORW-SECBINFHSA-N 442.165 4.026 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)c1cc(C)n(Cc2ccco2)c1C 1317690996 KDULQWFFZXGUKR-HNNXBMFYSA-N 425.441 4.124 5 20 IIBD O=c1ccc(-c2nnc(COc3ccccc3[N+](=O)[O-])o2)cn1Cc1ccccc1Cl 1345739107 DUOCAGKEWALSGF-UHFFFAOYSA-N 438.827 4.087 5 20 IIBD CCOCCC(=O)Nc1ccc(C2(NC(=O)Cc3ccc(C)c([N+](=O)[O-])c3)CCC2)cc1 1791961493 COSCTYOQSQTDKL-UHFFFAOYSA-N 439.512 4.006 5 20 IIBD CC(C)[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C3)CC1 1801817465 NIVBUTWRENRUJT-FWIIZBITSA-N 443.544 4.015 5 20 IIBD CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(F)c3[N+](=O)[O-])n[nH]2)CCCC1 1821168277 VZNUIVAUXLVWNN-QGZVFWFLSA-N 443.479 4.343 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(C)C)n[nH]1 1821933339 VFTPMYHPCQOFGI-KRWDZBQOSA-N 443.504 4.074 5 20 IIBD C/C=C(\C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CSc2ccccc2[N+](=O)[O-])n[nH]1 1822313255 MNXAGWZAHQUGKC-TWQVXDNOSA-N 443.529 4.069 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1)[C@@H]1C[C@@H]1c1ccccc1 1822319481 COTXILBDBZQASJ-NUJGCVRESA-N 449.467 4.021 5 20 IIBD CC(C)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2cc(F)ccc2[N+](=O)[O-])n[nH]1 1823488271 SWPUMIHQKHPZOE-IBGZPJMESA-N 445.495 4.128 5 20 IIBD Cc1ccc(C)c(C(=O)N2CCCC23CN(C(=O)C2(c4cccc([N+](=O)[O-])c4)CCC2)C3)c1 1846788196 QIRRNIAGLAVFDY-UHFFFAOYSA-N 447.535 4.151 5 20 IIBD C[C@H](Sc1nnc(-c2ccccc2Cl)n1C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 9810082 HPJJYBNDGBEZNH-JTQLQIEISA-N 435.868 4.302 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)[C@H]2Cc3ccccc3O2)c2ccccc2)c([N+](=O)[O-])c1 10615351 XZFXPRPRHNKVTC-FGZHOGPDSA-N 432.432 4.130 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1[N+](=O)[O-] 14698595 ZEESKNUXNJJYPJ-UHFFFAOYSA-N 437.886 4.028 5 20 IIBD C[C@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1Cl 18022024 AEVUJNLLIWTKJA-NSHDSACASA-N 438.267 4.467 5 20 IIBD Cc1csc(Sc2ccc(C(=O)OCC(=O)N(C)c3ccccc3)cc2[N+](=O)[O-])n1 28831652 JFWZLUKVNGJAOF-UHFFFAOYSA-N 443.506 4.331 5 20 IIBD CNS(=O)(=O)c1ccc([C@@H](C)Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])cc1 64915266 UVJHRYBFOFWNEP-SECBINFHSA-N 437.827 4.348 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc(-c2nc3ccccc3s2)cc1 71794904 QPETUNSQOVIKAU-UHFFFAOYSA-N 446.444 4.418 5 20 IIBD O=C1CCCN1Cc1cccc(CNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c1 71953472 IUFCQGNFRSHMDK-UHFFFAOYSA-N 438.362 4.256 5 20 IIBD O=C(NCc1ccc(OCc2ccccc2)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 107853563 PCDMGOCAMMMXSP-UHFFFAOYSA-N 428.448 4.290 5 20 IIBD COc1cc(OCC(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)ccc1[N+](=O)[O-] 195702539 HRYKZGMDEHWDQC-UHFFFAOYSA-N 425.466 4.233 5 20 IIBD C[C@H](c1nc(-c2cccs2)no1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 301252268 SDAPJQBUCJPOLH-CQSZACIVSA-N 436.497 4.138 5 20 IIBD COc1cccc([C@H]2CCCN2c2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)c1 301518108 KHIHJCQXCDHGDB-GOSISDBHSA-N 426.860 4.144 5 20 IIBD COc1cc(F)c(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1OC 410028091 IWTONFBQJGPVAZ-ZIAGYGMSSA-N 431.464 4.486 5 20 IIBD Cc1c(C(=O)NC(C)(C)c2ccc(OCC(C)C)cc2)nnn1-c1cccc([N+](=O)[O-])c1 410049733 ZBPARWINXFISQL-UHFFFAOYSA-N 437.500 4.184 5 20 IIBD C[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1cc2c(cc1Br)OCCO2 410088486 QBFLQSKIPQGWSU-JTQLQIEISA-N 446.257 4.101 5 20 IIBD O=C(O)[C@@H](NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccsc1 426816478 KULUUGSJPZRQKO-NRFANRHFSA-N 434.477 4.425 5 20 IIBD Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 428253781 SGWYNLSMGFVZDT-UHFFFAOYSA-N 443.872 4.276 5 20 IIBD C[C@@H](CO)NC(=O)c1ccc(NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 428352605 RGFVOWUHNZHMAO-HNNXBMFYSA-N 439.443 4.249 5 20 IIBD CCOC(=O)[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(OC)c(F)c1 428374832 RCNQZEQPQMUUBB-OAQYLSRUSA-N 428.416 4.397 5 20 IIBD CC(C)(C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1)c1ccccc1[N+](=O)[O-] 429809276 NVILLTFUIYNBLQ-HNNXBMFYSA-N 446.345 4.278 5 20 IIBD COc1cc(C(=O)Nc2c(-c3ccco3)nc3ccccn23)c([N+](=O)[O-])cc1OC(F)F 433986332 SFMLQDBIPQSPIR-UHFFFAOYSA-N 444.350 4.365 5 20 IIBD O=C(Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 435369964 HDQPVSRKXOVYCJ-IBGZPJMESA-N 431.452 4.237 5 20 IIBD C[C@@H]1C[C@H]1[C@@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 435820865 ZGLLITACQMVWHI-FFUDGTDTSA-N 441.871 4.029 5 20 IIBD Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436070552 NPRRHCQBCMFOJJ-UHFFFAOYSA-N 447.441 4.412 5 20 IIBD CCOc1cc(NC(=O)C(=O)N(C2CCC(CC)CC2)C2CC2)c([N+](=O)[O-])cc1OCC 437351068 YLRHGMUHLFNJJE-UHFFFAOYSA-N 447.532 4.291 5 20 IIBD COc1cc(Oc2ccccc2)ccc1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 437907289 JBVSTAQDQVDJHB-UHFFFAOYSA-N 435.436 4.154 5 20 IIBD COc1cc(OC)c(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1Cl 438806902 CJHSARWIKMPDKK-UHFFFAOYSA-N 441.676 4.373 5 20 IIBD COC(=O)c1cccc(NC2CCN(C(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)c1 439344809 WHXVAKOYEKVWHU-UHFFFAOYSA-N 425.485 4.222 5 20 IIBD COc1ccc(-c2nnc(Sc3c(F)cc([N+](=O)[O-])cc3F)n2C[C@H]2CCCO2)cc1 440589104 REPDVKUEXBZHCL-OAHLLOKOSA-N 448.451 4.470 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCC1 442256978 YRJYCUMZQGSYOE-UHFFFAOYSA-N 435.402 4.099 5 20 IIBD Cc1ccc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)c2cccc(S(C)(=O)=O)c2)c(C)c1 460581808 AWGXYPYALYXWNB-JOCHJYFZSA-N 438.505 4.135 5 20 IIBD Cc1ccsc1-c1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCO1 461070808 VPJIIQDSBVVRKK-SFHVURJKSA-N 427.530 4.081 5 20 IIBD CCN(Cc1c(F)cccc1F)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 461524090 OBTBAVHUEKRHEJ-OAHLLOKOSA-N 443.454 4.195 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1cc(Br)c(C)cc1OC 462509312 YFZXAKJCEMHKSA-LLVKDONJSA-N 438.278 4.122 5 20 IIBD CC[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 462543266 JCXGZRFVBCMWPU-ZDUSSCGKSA-N 447.296 4.102 5 20 IIBD Cc1ncn(-c2ccc(NC(=O)C(=O)Nc3ccc(C(C)(C)C)c([N+](=O)[O-])c3)cc2)c1C 464008521 AIARXAMIKVVDBL-UHFFFAOYSA-N 435.484 4.272 5 20 IIBD Cc1c(NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cccc1NC(=O)c1ccccc1 465081752 YNEYRLSHDACQFL-UHFFFAOYSA-N 447.447 4.108 5 20 IIBD O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC(c2cccc(Br)c2)CC1 466785959 BUJMKXHBZIFCIR-UHFFFAOYSA-N 433.258 4.106 5 20 IIBD C[C@@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[C@H](OC1CCOCC1)c1ccccc1 468125730 HDBWTTQGNHHNBD-VFNWGFHPSA-N 447.919 4.373 5 20 IIBD CCc1ccc(C(=O)N(Cc2ccoc2C(=O)OC)[C@H](C)c2ccccn2)cc1[N+](=O)[O-] 471920573 UEZDWCIDNFFZSL-OAHLLOKOSA-N 437.452 4.335 5 20 IIBD COC(=O)c1nc([C@H]2CCCN2C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)sc1C 471974792 CFCOOFIXNMKUAL-SWLSCSKDSA-N 432.502 4.062 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)c(Cl)c1 477246618 DURYGIOZIZEOSH-HNNXBMFYSA-N 432.832 4.206 5 20 IIBD CCn1ncc2ccc(NC(=O)N[C@@H](CC(=O)OC(C)C)c3ccccc3[N+](=O)[O-])cc21 477417514 LDTPFKHWQGPFAX-SFHVURJKSA-N 439.472 4.169 5 20 IIBD COC(=O)C[C@H](NC(=O)c1cc(SC)ccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 479410813 PSNCUAQQFSPATK-HNNXBMFYSA-N 442.415 4.370 5 20 IIBD O=[N+]([O-])c1ccc(CCN[C@H](CO)c2ccc(Br)cc2C(F)(F)F)cc1 483228196 MOIOOXLBVKUIGG-MRXNPFEDSA-N 433.224 4.242 5 20 IIBD COC(=O)[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(OC)c(O)c1 483640087 QRDZHZPKDXFUJR-FQEVSTJZSA-N 446.843 4.226 5 20 IIBD C[C@H](Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)c1ccc(S(=O)(=O)N(C)C)cc1 485390461 MQNSMFBRGPUGJQ-AWEZNQCLSA-N 444.488 4.219 5 20 IIBD O=C(CCCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccc(Cl)cc1 485411961 SJXFNXWGUHMQCD-UHFFFAOYSA-N 430.892 4.341 5 20 IIBD COC(=O)CCCOc1ccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 486508037 RIGYLBATXLROEO-UHFFFAOYSA-N 441.465 4.303 5 20 IIBD CC(C)OCCCNC(=O)C1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 486797366 AIBQRAUGNHKTJD-UHFFFAOYSA-N 433.552 4.172 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCC[C@H](Cc3ccc(OC)cc3)C2)c(C)c([N+](=O)[O-])c1 486898689 RMBKQCXEESOBJY-QGZVFWFLSA-N 441.484 4.185 5 20 IIBD Cc1ccc([C@H](C)NC(=O)NCc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] 489343425 STDSXNKPHGQFFY-FHWLQOOXSA-N 440.544 4.073 5 20 IIBD CCCCOc1ccc(C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)cc1OCC 490369883 SCAUYJKKUJGZMA-UHFFFAOYSA-N 425.445 4.210 5 20 IIBD C[C@@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2n1C(F)F 497824583 NFCOFPPOHGXTOT-GFCCVEGCSA-N 440.410 4.231 5 20 IIBD CC(=O)CCc1ccc(O[C@H](C)C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 498133360 AYFJKXHAOIVWIY-ZHRRBRCNSA-N 428.510 4.158 5 20 IIBD Cc1ccc(S(=O)(=O)N[C@@H](CSc2ccc([N+](=O)[O-])cn2)c2ccccc2)cc1 499322119 DIINGBWGEVSBFI-IBGZPJMESA-N 429.523 4.110 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@H](c1ccccc1)c1cccc(Cl)c1 501410685 HBDAKBTYWBQYRT-JOCHJYFZSA-N 437.883 4.274 5 20 IIBD Cc1ccc(Br)cc1NC(=O)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 501821363 GIIQQKCRNJYDEQ-UHFFFAOYSA-N 448.298 4.249 5 20 IIBD Cc1cc(CN2CCSCC2)ccc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 502977441 ALJCTMADTKPXPK-UHFFFAOYSA-N 426.542 4.279 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccnc(OC3CCC(C)CC3)c2)cc1OC 505563024 ZFYSERDOOXZHQL-UHFFFAOYSA-N 443.500 4.285 5 20 IIBD COc1ccc(-c2csc(NC(=O)CSc3cccc([N+](=O)[O-])c3)n2)c(OC)c1 509713192 MPHCTCYOOWRDGH-UHFFFAOYSA-N 431.495 4.466 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2c(-c3cccs3)nc3ccccn23)cc([N+](=O)[O-])c1 509829515 XOEKQGIYNUNNQV-UHFFFAOYSA-N 436.449 4.400 5 20 IIBD O=C(NCCCSc1ccccc1)c1ccc([N+](=O)[O-])cc1I 511100132 ICWFOKOMNXPOCS-UHFFFAOYSA-N 442.278 4.112 5 20 IIBD CCN(C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(C(F)(F)F)cc1 512518930 DFZKFCBJBGADKE-UHFFFAOYSA-N 437.374 4.355 5 20 IIBD Cn1ccnc1[C@H](NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 512903982 KOGGSTKPWUTUBI-HSZRJFAPSA-N 428.496 4.422 5 20 IIBD CS(=O)(=O)c1ccc(N2CCC(F)(c3ccccc3C(F)(F)F)CC2)c([N+](=O)[O-])c1 513066596 BBFKLVXVIKIETE-UHFFFAOYSA-N 446.422 4.482 5 20 IIBD COC(=O)Cc1csc(N(C)C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)n1 513262518 NQXFSXQUTVKENK-UHFFFAOYSA-N 437.543 4.182 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O 513527846 KONSCFPDMTZQRF-AVYPCKFXSA-N 445.516 4.083 5 20 IIBD C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)COc1ccc([N+](=O)[O-])cc1 514525215 ZQSAJNPMZVFTRS-KRWDZBQOSA-N 433.464 4.446 5 20 IIBD C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccccc2n1C(F)F 515741923 KZYXZHMCWVGUFE-SECBINFHSA-N 430.820 4.033 5 20 IIBD COc1ccc(S(=O)(=O)N[C@H](c2ccc(Cl)cc2)c2cccs2)cc1[N+](=O)[O-] 515752512 XZNQPNIPFZBSGM-GOSISDBHSA-N 438.914 4.386 5 20 IIBD CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1cc(OC)ccc1[N+](=O)[O-] 516336009 XLGSKUMKWXMXCI-UHFFFAOYSA-N 440.283 4.401 5 20 IIBD COCc1cnc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)s1 516858567 OADHGLSNNZNQSK-UHFFFAOYSA-N 449.492 4.232 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CCCc3cccc(Cl)c32)cc1[N+](=O)[O-] 517155796 AMRPKJLAMJXNKZ-UHFFFAOYSA-N 429.889 4.121 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)c1 518828693 KNJVHNCPCFHIEG-FQEVSTJZSA-N 435.505 4.297 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N=c1nc(-c2cccc(Cl)c2)[nH]s1 519390316 JLEQCRGHOKWYKG-UHFFFAOYSA-N 446.919 4.387 5 20 IIBD CC1CCN([C@H](C)CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 520857752 SHCOYOHZMJHOMZ-MSOLQXFVSA-N 425.533 4.013 5 20 IIBD CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 521570945 MIJGZYNRMUBDDJ-UHFFFAOYSA-N 446.301 4.308 5 20 IIBD CCS(=O)(=O)c1ccccc1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 522671027 QTCXXVLHWXASKG-UHFFFAOYSA-N 426.450 4.433 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CNCCC3CCN(CC(F)(F)F)CC3)cs2)c1 531380334 GSQIAZRKEHSITF-UHFFFAOYSA-N 428.480 4.472 5 20 IIBD O=C(NCc1cccc(NC(=O)c2ccccc2)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 533657309 RKTHQRREBBIROP-UHFFFAOYSA-N 430.464 4.351 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CCc4c([nH]c5ccccc45)C3)cc2)c(C)c1[N+](=O)[O-] 536291113 CEKODSQPRKOFLC-UHFFFAOYSA-N 429.480 4.136 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)Nc1cccc2cccnc12 537432425 XWMNUQDQCNIHHZ-UHFFFAOYSA-N 438.509 4.404 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H]2CCO[C@@H](C(C)C)C2)cc1[N+](=O)[O-] 537922559 MUNWUCYNHGRALJ-OXJNMPFZSA-N 442.537 4.481 5 20 IIBD C[C@@H](c1ccc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])cc1)N1CCOCC1 539447748 BPGVGUAZWLPWJY-KRWDZBQOSA-N 432.480 4.302 5 20 IIBD CCCCN1C(=O)CC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)[C@@H]1c1ccc(OC)cc1 539971671 ILYFXWGAELQLOO-AVRDEDQJSA-N 441.484 4.028 5 20 IIBD C[C@H](c1ccccc1)N1CC[C@@H](Nc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)C1 540284481 GEEUBDPERFVCIF-NVXWUHKLSA-N 439.903 4.042 5 20 IIBD CN(C(=O)c1cccc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1)c1ccccc1 540893133 VFBXVKDXGMDWCV-UHFFFAOYSA-N 437.883 4.497 5 20 IIBD COc1ccc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)cc1OC1CCCC1 541265169 CXBXPOPZULSPBC-UHFFFAOYSA-N 428.441 4.338 5 20 IIBD Cc1ccc(-c2nc(C)c([C@H](C)NC[C@H](O)COc3ccccc3[N+](=O)[O-])s2)cc1 541661437 JNCAKXKHMUYWSK-YJBOKZPZSA-N 427.526 4.426 5 20 IIBD Cc1nc([C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)C2)n[nH]1 541708891 YMNQPYFNAKELRE-MRXNPFEDSA-N 429.546 4.323 5 20 IIBD COc1cc(CNc2nnc(-c3ccoc3C)o2)c([N+](=O)[O-])cc1OCC(F)(F)F 544665031 QTHWOYWBTIUZKP-UHFFFAOYSA-N 428.323 4.108 5 20 IIBD CCNc1ccc(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)cc1[N+](=O)[O-] 546106326 ZZDYBIQFRWSVQT-UHFFFAOYSA-N 448.317 4.473 5 20 IIBD C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccc(Cl)cc1)c1ccn(C)n1 546575783 OZZWOOYQEDUGHA-SZNDQCEHSA-N 427.892 4.078 5 20 IIBD COc1cc(C(=O)NCc2cc(C)nc(C)n2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 551682577 VVLFPEYAKIXCCR-UHFFFAOYSA-N 442.859 4.386 5 20 IIBD Cc1ccc(-c2cncc(F)c2)cc1NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 555273662 XEZDBEBBSZEFNC-UHFFFAOYSA-N 448.454 4.234 5 20 IIBD O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1C[C@H](O)C[C@@H]1c1cccc(F)c1 557726604 QRKLZLPXVHRHOE-RHSMWYFYSA-N 432.249 4.357 5 20 IIBD Cc1nc(NC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nn1C 557826777 HSJGDFUVMWOXPG-UHFFFAOYSA-N 437.403 4.454 5 20 IIBD O=C(NCc1ccccc1Oc1ccccc1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 560817411 SVKVMPCKWXTTLK-UHFFFAOYSA-N 445.475 4.195 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@H](Sc2cccc(Cl)c2)C1 561884096 VZWDSJOXBVOZGG-SFHVURJKSA-N 428.901 4.441 5 20 IIBD CCn1c([C@@H](C)Nc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)nc2ccccc21 574493933 PWQXIZUOLYBYJL-CYBMUJFWSA-N 438.875 4.337 5 20 IIBD CC(C)(C)OC(=O)[C@H]1CC[C@@H](C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)O1 577906226 BMXXCQFPFLQOFP-RBUKOAKNSA-N 428.441 4.215 5 20 IIBD CN(CC(=O)NC(c1ccccc1)c1ccccc1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 578215804 LAVCKZYPTCGLJX-UHFFFAOYSA-N 437.883 4.226 5 20 IIBD COC(=O)c1nc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])sc1C(C)C 580361799 NGMKCVRBPQUNJV-UHFFFAOYSA-N 427.866 4.022 5 20 IIBD COC(=O)C[C@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(OC(F)(F)F)cc1 583908739 HHMRENLDRVLDAZ-SJCJKPOMSA-N 440.374 4.018 5 20 IIBD C[C@H](NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(-c2cccnc2)cc1 584254229 HGISZCCDRBLBGT-KRWDZBQOSA-N 444.491 4.025 5 20 IIBD CCN1CCc2nc(NC(=O)c3ccc(N4C[C@@H](C)C[C@@H](C)C4)c([N+](=O)[O-])c3)sc2C1 600203119 HNJGQFLNOOVXLF-GASCZTMLSA-N 443.573 4.164 5 20 IIBD CC[C@H](C)NS(=O)(=O)c1cccc(NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 600861471 VOZHLVYGIXBPIX-LBPRGKRZSA-N 431.436 4.303 5 20 IIBD CN(CCOc1ccccc1Cl)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 603682393 LNIINFBEFRVYLH-UHFFFAOYSA-N 432.782 4.340 5 20 IIBD C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 603874995 ZXJKLIOROTVIAD-GFCCVEGCSA-N 441.340 4.126 5 20 IIBD CC(=O)Nc1ccc(-c2csc(NC(=O)CCOc3ccccc3[N+](=O)[O-])n2)cc1 603946125 VLYDKTZNCASSAC-UHFFFAOYSA-N 426.454 4.084 5 20 IIBD CCCOc1ccccc1Oc1ncccc1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 604097966 FEPIUYPAHGSFMI-UHFFFAOYSA-N 447.451 4.377 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)cc1OC 608962928 LJFFOKUDVZXGTQ-IBGZPJMESA-N 438.839 4.008 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC[C@H](n4ccnc4)C3)cc2[N+](=O)[O-])n1 609131602 UDAYCEOGOMZVCR-HNNXBMFYSA-N 429.527 4.185 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CSCc1nnnn1-c1ccc(C(F)(F)F)cc1 609237846 HWDDBKUEFVBGET-UHFFFAOYSA-N 425.392 4.031 5 20 IIBD CN1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c(C(F)(F)F)c2)CC1 609462791 GPNGWRLNLDQWDW-UHFFFAOYSA-N 442.825 4.271 5 20 IIBD O=C(NCCOc1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1Br 610040656 DRZZYWSIQQZDHQ-UHFFFAOYSA-N 433.180 4.185 5 20 IIBD C[C@@H](c1ccc(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1)N1CCOCC1 610099549 VOKIKFRJRICJEB-SFHVURJKSA-N 426.517 4.132 5 20 IIBD Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)Cn1cc([N+](=O)[O-])cn1 610156288 WJPUIIPFVKARRG-UHFFFAOYSA-N 436.447 4.475 5 20 IIBD Cc1c(NC(=O)N2CCN(C(=O)c3sc4ccccc4c3C)CC2)cccc1[N+](=O)[O-] 610162995 BWGZIFQHANOUBA-UHFFFAOYSA-N 438.509 4.416 5 20 IIBD COCCN(Cc1ccc(C)cc1C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 610264491 DVLZJSXYMALMMM-UHFFFAOYSA-N 447.340 4.356 5 20 IIBD O=[N+]([O-])c1c[nH]cc(Br)c1=NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 611227040 XBGGSQUEXCCBMP-RNFRBKRXSA-N 436.150 4.496 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1cccc(OCc2ccccn2)c1 642598513 NHZRXEALOWMKPH-UHFFFAOYSA-N 449.510 4.445 5 20 IIBD CCN(Cc1cccc(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)c1)C(=O)OC(C)(C)C 726526510 RPXDYTHKIGGCPR-UHFFFAOYSA-N 445.520 4.194 5 20 IIBD COC(=O)Nc1cc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1F 727334885 CMRAWNCOFNGSGB-UHFFFAOYSA-N 444.341 4.372 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2cc(N)nc(Cl)c2)c2ccccc2)c([N+](=O)[O-])c1 728629769 KMGYQLVLDOZIIS-IBGZPJMESA-N 440.843 4.071 5 20 IIBD O=C(OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1ccc(Oc2cccnc2)cc1 730708506 OTSCQOAKJXSLKU-GOSISDBHSA-N 447.447 4.244 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)NC(=O)[C@H]2C[C@H]2c2cccc3ccccc23)cc1[N+](=O)[O-] 730919503 NSZAQGCSPABMHX-ROUUACIJSA-N 444.896 4.318 5 20 IIBD O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1cc([N+](=O)[O-])ccc1Br 731336374 ZQGHQBYJFOZCJJ-UHFFFAOYSA-N 442.273 4.204 5 20 IIBD CC1=C(C(=O)OC(C)C)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1CCc1cccs1 731853038 WWRKMHMWUCJUPI-LJQANCHMSA-N 429.498 4.191 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(OC(=O)C[C@H](C)c2ccccc2C)c([N+](=O)[O-])c1 734966277 XIWQEPSLBISWID-INIZCTEOSA-N 434.514 4.033 5 20 IIBD COc1cc(C(=O)Oc2cc([N+](=O)[O-])c(Cl)cc2C)c([N+](=O)[O-])cc1OC(F)F 735642683 FYUNUMQPLKMFMM-UHFFFAOYSA-N 432.719 4.294 5 20 IIBD O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1CCSC[C@H]1c1ccc(Cl)cc1 738255439 OYOKZOHILOMUGY-FQEVSTJZSA-N 442.928 4.220 5 20 IIBD CC(C)NC(=O)Nc1ccccc1C(=O)OCc1ccc([N+](=O)[O-])cc1Br 740579627 GZMCCPJJEUHJSD-UHFFFAOYSA-N 436.262 4.244 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCN(C(=O)OC(C)(C)C)c2ccccc21 741754754 WTORKIWPCIILTB-UHFFFAOYSA-N 447.513 4.244 5 20 IIBD COc1cc(C(=O)NCc2c(C)cccc2F)c([N+](=O)[O-])cc1OCc1cscn1 742728787 ZRVNZACTSPZUBN-UHFFFAOYSA-N 431.445 4.016 5 20 IIBD C[C@@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1nc(-c2cccc(F)c2)no1 743837831 OTQIFKDMJOTVOS-SECBINFHSA-N 435.209 4.037 5 20 IIBD COc1ccc(OCCOC(=O)c2cnc3ccccc3c2C(F)(F)F)c([N+](=O)[O-])c1 744571986 AQARPCYOGCGDCM-UHFFFAOYSA-N 436.342 4.406 5 20 IIBD COc1ccc(OCCOC(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)c([N+](=O)[O-])c1 744893333 VKTHPPLDRCLUSA-CVEARBPZSA-N 436.258 4.092 5 20 IIBD COc1ccc(NC(=O)COC(=O)C[C@@H](C)c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 745223429 QDGFRFRIYZVDQX-GFCCVEGCSA-N 440.374 4.298 5 20 IIBD COc1cc(NC(=O)C(C)(C)C)c(C(=O)OCc2ccc([N+](=O)[O-])cc2F)cc1OC 746898430 CZQCHACSDJIIBZ-UHFFFAOYSA-N 434.420 4.093 5 20 IIBD O=C(c1ccc(CN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cc1)N1CCCC1 750616873 SMYXMLHKRGNVFD-UHFFFAOYSA-N 444.329 4.152 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cccc(COc3ccccc3)c2)cc1[N+](=O)[O-] 752138976 XJBFIHOFULTBPW-KRWDZBQOSA-N 433.464 4.298 5 20 IIBD COCCc1noc(-c2cc(Cl)ccc2NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1 753271967 BHZCKQGHWUNJTQ-UHFFFAOYSA-N 437.239 4.393 5 20 IIBD CC(C)(C)OC(=O)N1CCC(n2cc(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cn2)CC1 754081416 GGHRQRKZIFWCRD-UHFFFAOYSA-N 432.437 4.015 5 20 IIBD Cn1cc(C(C)(C)N[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)cn1 754867763 PDRAMXHVNSHQFE-LJQANCHMSA-N 427.892 4.186 5 20 IIBD CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 755029957 KRVLFFZRZFEBGT-UHFFFAOYSA-N 439.285 4.092 5 20 IIBD CC[C@@H]1CN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC[C@H]1NC(=O)OC(C)(C)C 756909925 NHEXXZWHROSOSV-OXQOHEQNSA-N 429.521 4.041 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cn(Cc2ccccc2)nc1-c1cccnc1 756996869 IZPGUOAXGBPVMV-UHFFFAOYSA-N 447.882 4.485 5 20 IIBD Cc1ccc(C)c(NC(=O)Cc2nc(COC(=O)c3ccc(F)cc3[N+](=O)[O-])cs2)c1 758114394 QIGZTDRIAKDAEU-UHFFFAOYSA-N 443.456 4.345 5 20 IIBD COc1cc(C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1Cl 758811063 YBUVDFOTXCMYNN-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 759364954 RBMICTIZMMLGCE-OAHLLOKOSA-N 445.472 4.330 5 20 IIBD Cc1ccc([C@](O)(CC(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C(F)(F)F)o1 760481584 DKBIIGLNJDVBFA-GOSISDBHSA-N 440.330 4.035 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Sc2nncs2)cc1 761888679 DPERHRWFNYVLGB-UHFFFAOYSA-N 442.931 4.360 5 20 IIBD CC(C)(C)c1ccc(C(=O)OCC(=O)c2cnc(N3CCCCC3)s2)cc1[N+](=O)[O-] 761916099 IMZWEBGRYAFTSH-UHFFFAOYSA-N 431.514 4.379 5 20 IIBD O=C(Nc1ccccc1C(=O)Nc1nc2cnccc2[nH]1)c1ccc([N+](=O)[O-])cc1Cl 762202814 UZEFNIIOIVVJNJ-UHFFFAOYSA-N 436.815 4.024 5 20 IIBD CC(C)CN(C[C@@H](O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 762548494 GDUJUEDOOPGMKD-JOCHJYFZSA-N 429.492 4.166 5 20 IIBD O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCc2cc(Br)cc(F)c21 764319000 PWFLAIBOKHQSOU-UHFFFAOYSA-N 444.054 4.462 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)c1ccc(OCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 766746531 TYSWKFQFOZJOQW-OAHLLOKOSA-N 441.484 4.149 5 20 IIBD COc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)NCCc2ccccc2[N+](=O)[O-])c1 767047559 JSKPEWQQAXKRSK-DEOSSOPVSA-N 449.507 4.091 5 20 IIBD O=[N+]([O-])c1cn(CN2CCc3c(Br)ccc(Cl)c3C2)nc1-c1ccncc1 767476841 RZOZFVHKFVNQIZ-UHFFFAOYSA-N 448.708 4.285 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)Cc2c(C)noc2Cl)c2ccccc2)c([N+](=O)[O-])c1 769043612 ZRKPNXKFYDAEOS-LJQANCHMSA-N 443.843 4.319 5 20 IIBD COc1cccc(Br)c1OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 769717913 KBUJKUSIOMIRCS-UHFFFAOYSA-N 435.274 4.188 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1Cc2cccc(Br)c2C1 771634913 ADHHRNQVRVLPJZ-UHFFFAOYSA-N 444.054 4.415 5 20 IIBD CN(C)C(=O)Sc1ccccc1NC(=O)c1sc(Br)cc1[N+](=O)[O-] 772207900 ZVKOZXOZAVWOLN-UHFFFAOYSA-N 430.305 4.445 5 20 IIBD Cc1cc2nc(C)c(CCC(=O)OCc3ccc(Br)c([N+](=O)[O-])c3)c(C)n2n1 773382198 VEUDITQKQBCNIO-UHFFFAOYSA-N 447.289 4.001 5 20 IIBD O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(CN2CCCCC2=O)cc1 773392121 FRJQHXAMXVQROS-UHFFFAOYSA-N 447.285 4.227 5 20 IIBD Cn1c(COC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)nc2ccc(Br)cc21 775170239 IRTGBULYZNPOTB-UHFFFAOYSA-N 440.200 4.079 5 20 IIBD CC(C)S(=O)(=O)c1ccc(C(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])cc1 776131061 BYIMPELJBLHQGW-NRFANRHFSA-N 440.477 4.118 5 20 IIBD Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)OCCc3ccccc3[N+](=O)[O-])c12 777329867 IUWZICKTUQYYAD-UHFFFAOYSA-N 443.463 4.309 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccccc1[C@@H](O)C(F)(F)F 777835547 SPZLIKCGYVDQAN-JOCHJYFZSA-N 426.394 4.389 5 20 IIBD Cc1cc(C(=O)COC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c(C)n1CC(F)(F)F 778170644 WGUZLLUONTWICP-UHFFFAOYSA-N 434.317 4.093 5 20 IIBD O=C(Nc1ccc(Cn2cnc3ccccc32)cc1)c1cc([N+](=O)[O-])c2nsnc2c1 778254800 XAXYAOHYPMEJID-UHFFFAOYSA-N 430.449 4.250 5 20 IIBD COc1cc(COC(=O)c2cc(-c3ccccc3)no2)c([N+](=O)[O-])cc1OCC(F)F 780059060 JXPNLNHGZPAOHA-UHFFFAOYSA-N 434.351 4.259 5 20 IIBD COc1cc(N2CCC(OC(=O)c3cnn(C4CCCCC4)c3C)CC2)ccc1[N+](=O)[O-] 781456019 CACKSESBGLMSOP-UHFFFAOYSA-N 442.516 4.439 5 20 IIBD CN(Cc1ccccc1NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C1CCCCC1 781594604 CBCCUISFMUUKES-QHCPKHFHSA-N 436.512 4.491 5 20 IIBD CC[C@H](c1ccccc1)N(CC(=O)OC)C(=O)c1cccc([N+](=O)[O-])c1Br 782125703 ZKKAGQSHJIQOGX-OAHLLOKOSA-N 435.274 4.124 5 20 IIBD COc1ccc(NC(=O)N2CCC(N(CC3CC3)C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] 782614851 DZJJLLGIZICPKL-UHFFFAOYSA-N 448.520 4.247 5 20 IIBD O=C(Nc1ccc(OC(=O)[C@@H](O)C2CCCCC2)cc1)c1cc([N+](=O)[O-])ccc1Cl 783527489 YWWNKQGHXIALLR-IBGZPJMESA-N 432.860 4.347 5 20 IIBD Cc1c(CC(=O)OCC(=O)N(C)C(c2ccccc2)c2ccccc2)cccc1[N+](=O)[O-] 784312129 FEHSNEFVPRIJMH-UHFFFAOYSA-N 432.476 4.237 5 20 IIBD CCCCOCCN(C(=O)c1cc([N+](=O)[O-])ccc1N)c1ccc(Br)cc1 787006055 VOURPSVPLUWMLG-UHFFFAOYSA-N 436.306 4.403 5 20 IIBD Cc1noc2nc(-c3ccccc3)cc(C(=O)OCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c12 791669952 KEIDEFHMJDCSGR-UHFFFAOYSA-N 434.364 4.372 5 20 IIBD Cc1nc2c(s1)[C@H](N(C)C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)CCC2 792984420 GYWSQGAUWNKDQH-MRXNPFEDSA-N 430.530 4.132 5 20 IIBD CC(C)OCc1ccc(NS(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])cc1 795305029 ZWGIWMGIJHYCTR-UHFFFAOYSA-N 447.282 4.222 5 20 IIBD O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1CN1CCC(c2ccsc2)CC1 795447337 KZKNKRVYJQGDAO-UHFFFAOYSA-N 436.331 4.212 5 20 IIBD CC(C)(C)OC(=O)NC1(COC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCC1 797295761 QTFNJJHHIPIEGM-UHFFFAOYSA-N 433.486 4.323 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2-c2nc(-c3ccc(C(=O)N(C)C)cc3)no2)CC1 809279240 HLZHBVZXSRQIHH-UHFFFAOYSA-N 435.484 4.250 5 20 IIBD C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C[C@@H](c2ccccc2)O1 809810028 IOBUSSXLSZLZOL-BZNIZROVSA-N 431.297 4.052 5 20 IIBD C[C@H](OC(=O)c1cc(-c2ccco2)nn1-c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] 811750641 BVAVRYDVLQNBBC-HNNXBMFYSA-N 446.419 4.225 5 20 IIBD Cc1ccc(S(=O)(=O)Cc2ccc(-c3nc(CCC(C)(C)[N+](=O)[O-])no3)cc2)cc1 812812638 NZHHKNFGTUWZOF-UHFFFAOYSA-N 429.498 4.007 5 20 IIBD C[C@H](N[C@@H](C)c1ccc(N2CCCOC2=O)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 814658597 PUKMNQGPELRMRT-KBPBESRZSA-N 446.891 4.273 5 20 IIBD O=C(OCc1c(F)cccc1[N+](=O)[O-])C1CCN(c2noc3ccc(Cl)cc23)CC1 815371714 IBNDBAYURXKHRN-UHFFFAOYSA-N 433.823 4.488 5 20 IIBD C[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 816796463 GYQMWMUQXULCAX-LBPRGKRZSA-N 444.326 4.171 5 20 IIBD CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)SCc2cc([N+](=O)[O-])ccc2OC)c1 861872641 PPJOOFZSBXDPHT-OAHLLOKOSA-N 445.541 4.346 5 20 IIBD CCOc1cc([N+](=O)[O-])c(-c2nc(-c3cc(Cl)c(OC)c(OC)c3)no2)cc1OC 904408231 YPJOOPFRULZZKD-UHFFFAOYSA-N 435.820 4.390 5 20 IIBD O=[N+]([O-])c1c(-c2nc(-c3cccc(OCc4cccnc4)c3)no2)ccc2c1OCCCO2 904504159 FWULLEPAVCNZAB-UHFFFAOYSA-N 446.419 4.447 5 20 IIBD Cc1cc(F)ccc1N(Cc1ccco1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 914520584 MVRROYFNTDABPP-UHFFFAOYSA-N 439.443 4.319 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)c1ccccc1Cc1nc(O)c2ccccc2n1 918934363 DFVXGBPITCJFHG-UHFFFAOYSA-N 445.431 4.200 5 20 IIBD C[C@H](Nc1ccc(C(=O)OCC(=O)c2cc(F)ccc2F)cc1[N+](=O)[O-])c1ccccn1 920550032 ZWBIHAVEBWYHFO-ZDUSSCGKSA-N 441.390 4.481 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CC[C@@H]4CCCC[C@H]4C3)n2C[C@@H]2CCCCO2)c1 1116960571 WTIDPNUJISULNQ-CUWPLCDZSA-N 425.533 4.439 5 20 IIBD O=C(NCCc1nccn1C(F)F)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 1123817861 SJXVZOOVIJSSLK-UHFFFAOYSA-N 449.845 4.424 5 20 IIBD COc1cc(CCNC(=O)c2ccc(OC)c(-c3ccccc3)c2)c([N+](=O)[O-])cc1OC 1318114400 XKSJVSVUCBHCGU-UHFFFAOYSA-N 436.464 4.260 5 20 IIBD Cc1cc(C)c2c(c1)CCN(c1nnc(-c3cccc([N+](=O)[O-])c3)n1C[C@H]1CCOC1)C2 1343817656 XBXSNHCVBJZXII-GOSISDBHSA-N 433.512 4.069 5 20 IIBD CN(C)C(=O)[C@@H]1CCCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 1349277027 HDYMLRMWOOIWFK-CQSZACIVSA-N 447.944 4.340 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)[C@H]3CC3(F)F)CCC2)cc1 1786600631 ZVVLLXWIGNXJTO-LJQANCHMSA-N 443.450 4.317 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@@H]3CCCCC3(F)F)CCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 1790184473 VNIVSRSHUKOSKR-INIZCTEOSA-N 446.454 4.496 5 20 IIBD CCc1ncsc1C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1 1790198993 GMUMXFCNKJIGEY-UHFFFAOYSA-N 439.497 4.003 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@@H]3CCCS3)CCC2)cc1)c1cccc(F)c1[N+](=O)[O-] 1790702333 HNZDKTQRAXDXIX-SFHVURJKSA-N 443.500 4.377 5 20 IIBD CC(C)c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C3)cc1 1799707198 HUZFICTUWXEIDE-KOUNCHBCSA-N 435.524 4.213 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)[nH]n1)[C@H]1CC=CCC1 1820828145 BRKQGAHLPLDWFX-IFXJQAMLSA-N 441.463 4.119 5 20 IIBD Cc1cc(C)cc(C(=O)N2CCCC23CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)C3)c1 1844926665 MDNMLYILNHRHMZ-UHFFFAOYSA-N 441.915 4.304 5 20 IIBD C[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)Nc1ccc(Cl)cc1 11277652 HQABXOVFDQSLRL-HNNXBMFYSA-N 434.879 4.379 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1nc2c(s1)CN(Cc1ccccc1)CC2 11379910 IFHNZHWYIGQLEK-UHFFFAOYSA-N 437.525 4.050 5 20 IIBD COCCN(C(=O)Cc1c[nH]c2ccccc12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 14790547 NARZVWBDWKDCAI-UHFFFAOYSA-N 436.493 4.422 5 20 IIBD CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 16180289 WJOHOVVRELLMPR-UHFFFAOYSA-N 441.557 4.163 5 20 IIBD COc1ccc(-c2nc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)sc2C)cc1 20675957 FYFRKRKUUYPEJM-UHFFFAOYSA-N 427.438 4.059 5 20 IIBD CC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1nc2cc3ccccc3cc2c(=O)n1C 20988184 IBUCKVZMRVSHPC-OAHLLOKOSA-N 431.517 4.409 5 20 IIBD CCOc1ccccc1NC(=O)[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccccc1 21761142 GIGXOKJCWSFAEN-NRFANRHFSA-N 435.436 4.113 5 20 IIBD CCOc1ccccc1-c1nnc(SCCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)o1 26408616 LJYVMEYPUGZGGO-UHFFFAOYSA-N 444.469 4.173 5 20 IIBD Cc1cc(I)ccc1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 57881158 QCLWEIAMNPNEDN-UHFFFAOYSA-N 439.253 4.339 5 20 IIBD O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 61606685 LLAQFHHJOGQVQI-UHFFFAOYSA-N 438.447 4.254 5 20 IIBD O=C(Nc1ccccc1)c1ccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1 63951468 QPMPJFGNBGEESI-UHFFFAOYSA-N 427.420 4.285 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cc1nnc(C(=O)Nc2ccc(F)cc2)s1 64350018 YEQOVRVMRYGHTR-UHFFFAOYSA-N 429.477 4.248 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc(Oc2ccncc2)cc1 109595760 PDPUVNVSSJJQLO-UHFFFAOYSA-N 434.408 4.109 5 20 IIBD O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1cc([N+](=O)[O-])ccc1O 216596671 GPNRHMWXFARIFE-GOSISDBHSA-N 439.855 4.454 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N2CCC[C@H]2/C=C\c2ccccc2)cc1[N+](=O)[O-] 222237007 UXSREYSFWQNXRZ-FYGXRCCRSA-N 435.509 4.193 5 20 IIBD COc1ccccc1[C@@H](Nc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1)c1nccn1C 301068264 BEWYEWKYZCTWFO-OAQYLSRUSA-N 430.468 4.304 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F)c1ccccc1[N+](=O)[O-] 303677407 JDKRCSVJLBBQIK-MPGHIAIKSA-N 432.423 4.176 5 20 IIBD Cc1ccnc(Oc2cc(NC(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)ccc2C)c1 303960470 NBRZENPIBYOWGV-UHFFFAOYSA-N 430.424 4.232 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(I)c(Cl)c1 389575938 DIUBEZYHUOMTBY-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD COc1ccc(S(=O)(=O)Nc2nc(C)c(Cc3ccc(C)cc3)s2)c([N+](=O)[O-])c1 409537437 SEGZTLGDKVUKLI-UHFFFAOYSA-N 433.511 4.068 5 20 IIBD CCCN(C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C 426278003 UDMYGENAIVHZDK-BRWVUGGUSA-N 429.439 4.349 5 20 IIBD COc1cc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)ccc1OCc1cscn1 427569765 QFYYAVJBIPEZPR-UHFFFAOYSA-N 439.493 4.444 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@@H](C(=O)O)c3ccccc3)cc2[N+](=O)[O-])n1 428005970 MVEBCQJEHGSLSF-MRXNPFEDSA-N 429.479 4.067 5 20 IIBD Cc1noc(-c2ccc(C(F)(F)F)cc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n1 432471501 LZGCPTAOKSIRLG-UHFFFAOYSA-N 442.375 4.081 5 20 IIBD O=C(NCc1ccnc(N2CCCCC2)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436070454 ZJSUMWBJHVTYOH-UHFFFAOYSA-N 448.473 4.275 5 20 IIBD Cc1cc(N2CCOCC2)ccc1NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436081029 GZSKHLHZEAQRTD-UHFFFAOYSA-N 449.457 4.357 5 20 IIBD O=C(Nc1ccc2c(c1)Cc1ccccc1-2)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437054831 COCXFDMEABABFB-UHFFFAOYSA-N 427.460 4.296 5 20 IIBD Cc1c(F)cccc1NC(=O)CCSCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 437267445 NXZBOXVDKXKVKU-UHFFFAOYSA-N 433.461 4.102 5 20 IIBD O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 440617913 LVYKKWHURJYZQO-JOCHJYFZSA-N 440.459 4.643 5 20 IIBD O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1cn(-c2ccccc2)nc1-c1cccnc1 440625973 PUABJHMQVVBLOH-UHFFFAOYSA-N 436.431 4.643 5 20 IIBD COCc1nc(CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])c(-c2ccccc2)s1 440648003 IMXCFDGUTXJJEY-UHFFFAOYSA-N 438.509 4.369 5 20 IIBD COc1ccc(CNC(=O)C(=O)Nc2ccc(Cl)cc2-c2ccccc2)cc1[N+](=O)[O-] 443739838 REZILAOLLQIJKE-UHFFFAOYSA-N 439.855 4.179 5 20 IIBD Cc1cc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)ccc1C(=O)N(C)C 444095219 LHZPQRIOFNLEAR-UHFFFAOYSA-N 435.430 4.222 5 20 IIBD C[C@H](NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)[C@@H]1CCCN(C2CCC2)C1 444304058 OPNMANODXOBBNG-LSDHHAIUSA-N 439.506 4.342 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(-c3ccc(Cl)c(NC(=O)c4cccs4)c3)n2)n1C 445622174 WWYYTKIXVZLJJH-UHFFFAOYSA-N 444.860 4.321 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1ccccc1OCC(F)(F)F 445986642 WNJQPTIJQLCSIX-UHFFFAOYSA-N 447.207 4.157 5 20 IIBD Cc1cc(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3)c(F)cc2C)cc([N+](=O)[O-])c1 447636220 JKHWSLOTLUUTNS-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCCc1cc(F)cc2c1OCOC2 447668622 HGDFTSTUZSRLLP-UHFFFAOYSA-N 437.296 4.304 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@](C)(c2ccc(C)cc2)C1 447695201 VTOLQTLCUNHAMA-QHCPKHFHSA-N 442.537 4.362 5 20 IIBD CO[C@H]1CCOc2c(NS(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])cccc21 447779707 UOIXFTMHJWHGKK-AWEZNQCLSA-N 433.269 4.172 5 20 IIBD O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC(Sc2ccc(Cl)cc2)CC1 448192984 YMLFIIRNKKJFPY-UHFFFAOYSA-N 434.901 4.416 5 20 IIBD Cc1cccc(Oc2cc(CNS(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)ccn2)c1C 462675173 IYWPHIUKHJYBFS-UHFFFAOYSA-N 427.482 4.019 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H](C)C2(CCCCC2)C1 463171963 PBVMAAFWDBOFAO-FXAWDEMLSA-N 447.601 4.265 5 20 IIBD COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] 463219889 AAACDXQQULFHMZ-SFHVURJKSA-N 436.489 4.260 5 20 IIBD CC(C)Cn1ccc2cc(NC(=O)C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)ccc21 467871955 QVDCIUXVXPKSQG-UHFFFAOYSA-N 428.876 4.114 5 20 IIBD CN(C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H](c1ccc(Cl)cc1)C(F)(F)F 469115488 SHYQWCOCCWOPPD-SFHVURJKSA-N 444.793 4.324 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H](c1ccccc1Cl)C(C)C 469293483 DLHCCWNPIQBMQX-SFHVURJKSA-N 440.905 4.053 5 20 IIBD Cc1ccccc1[C@@H](OC[C@H](O)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)c1ccccc1 470880552 RAJPURJAWGJXMQ-BWKNWUBXSA-N 444.491 4.329 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2-n2nc(C)cc2C)cc1SC 472201793 UJUCYGAJLQKGOG-UHFFFAOYSA-N 426.498 4.058 5 20 IIBD C[C@@H](CCS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])OCc1ccccc1 473453562 YUALIUXPIYFDOD-ZDUSSCGKSA-N 428.304 4.126 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1 476723805 XOQARFJHKXDPOS-UHFFFAOYSA-N 443.381 4.276 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1 478760144 PGMPSPASKHDHEG-KRWDZBQOSA-N 443.294 4.067 5 20 IIBD C[C@H](NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 478870350 CJLVNPSURZGBLM-SGJUXQJHSA-N 436.295 4.298 5 20 IIBD O=C(Nc1cccc(COc2ccc(F)cc2)c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 486553237 WXIWWFZCSWHYBI-UHFFFAOYSA-N 439.447 4.378 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)N[C@@H](c1ccccc1)c1cccc(Cl)c1 487890727 VIVPKWPRQOKYOU-QHCPKHFHSA-N 447.878 4.469 5 20 IIBD C[C@@H](Sc1nnc(NCC(F)(F)F)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 489031871 APSOTMWCKJYKGG-ZCFIWIBFSA-N 441.844 4.193 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 489408744 NFOZCAILCIRMOM-CQSZACIVSA-N 439.497 4.195 5 20 IIBD COc1cccc(-c2noc([C@@H](C)NC(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)n2)c1 489470722 DJEMECMPULBSNS-UONOGXRCSA-N 425.445 4.083 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNc3nncn3-c3cccnc3)o2)c(Br)c1 490057342 HAXJLKOANINQRH-UHFFFAOYSA-N 441.245 4.205 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 490362963 HBVFYQSUBLJOMV-CQSZACIVSA-N 434.949 4.400 5 20 IIBD Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 491572931 DVIMZIGWQJWNNO-GOSISDBHSA-N 435.427 4.299 5 20 IIBD COc1ccnc(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)c1 495311959 HNYFMIDOKSTHLS-UHFFFAOYSA-N 426.860 4.194 5 20 IIBD COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 497805231 VSRIJDQOXSZCQS-INIZCTEOSA-N 436.411 4.026 5 20 IIBD O=C(Nc1nc(-c2cccs2)ns1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 497980690 KDRBZOOYYBKHCY-UHFFFAOYSA-N 430.389 4.368 5 20 IIBD COC(=O)[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])Cc1cccc2ccccc12 498625267 JRJJPCXSFRRNEA-MRXNPFEDSA-N 426.856 4.163 5 20 IIBD O=C(NCc1cc(Br)ccc1F)C1CCN(c2ccccc2[N+](=O)[O-])CC1 498971529 JYFFFLQJJXGMQN-UHFFFAOYSA-N 436.281 4.029 5 20 IIBD C[C@@H](Nc1ccc(CC(=O)N2CCc3ccccc32)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 501966805 DAOBJUIUFPFJNP-QGZVFWFLSA-N 444.491 4.166 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(NC(=O)c2ccccc2)CC1 502498050 MROPNTSSUCORQC-UHFFFAOYSA-N 427.526 4.132 5 20 IIBD CCc1ccc(C(=O)N2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)cc1 507007801 QAMWCQMZWYGNSQ-UHFFFAOYSA-N 436.537 4.239 5 20 IIBD COc1cc(C(=O)N[C@@H](C)Cc2ccccc2C)c([N+](=O)[O-])cc1OCc1cscn1 509968815 HLWIDMIXXVFBTA-HNNXBMFYSA-N 441.509 4.308 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 519027595 SRTXTJHVOONUAM-INIZCTEOSA-N 447.495 4.213 5 20 IIBD Cc1ccc(NC(=O)[C@H](Sc2nc(=O)ccn2C2CC2)c2ccccc2)c([N+](=O)[O-])c1 520650760 PCWIAMAJLRBCNC-HXUWFJFHSA-N 436.493 4.267 5 20 IIBD CN(C)[C@H](CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1cccc(C(F)(F)F)c1 521185146 UZNDUNRZDLQKIA-FGTMMUONSA-N 425.455 4.186 5 20 IIBD Cc1c(NC(=O)c2ccccc2)cccc1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 521335986 QDQPTLKCMYMABA-JOCHJYFZSA-N 430.464 4.373 5 20 IIBD Cc1ccc(NCCCNC(=O)N2CCC[C@@H](CN3CCCC[C@H]3C)C2)c([N+](=O)[O-])c1 525321427 DVSJXUZSCIDANV-UXHICEINSA-N 431.581 4.001 5 20 IIBD Cc1c(NC(=O)c2cc3ccccc3c3cccnc23)cccc1S(=O)(=O)NC1CC1 525375686 AVJJSBPJZNEEII-UHFFFAOYSA-N 431.517 4.389 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N[C@H](CO)c2ccccc2C)c([N+](=O)[O-])c1 531095840 RKTATMKJUYQRTR-OAQYLSRUSA-N 434.448 4.066 5 20 IIBD CCOc1cc(CNC2(C3CC3)CC2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 532374503 FNKUYFJPEOETHJ-UHFFFAOYSA-N 440.496 4.471 5 20 IIBD C[C@@H](CO)CCCNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 535426861 DCFAFXJBJFFXLU-CYBMUJFWSA-N 439.871 4.387 5 20 IIBD COC(=O)CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC1 536545479 QZVHVBBVZYQDRQ-UHFFFAOYSA-N 425.485 4.012 5 20 IIBD COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(Oc2ccc(OC)cc2)cc1 537653726 WGIVTDDJFICLNS-UHFFFAOYSA-N 444.465 4.343 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 538235978 AYNLOTABLZLZFM-WMZOPIPTSA-N 439.693 4.200 5 20 IIBD CCN(CC)C(=O)c1ccc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cc1 539351971 BMGXYOMURKTDSC-UHFFFAOYSA-N 438.509 4.477 5 20 IIBD O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c1 539421118 ANEUKFHMPNKSJB-GDBMZVCRSA-N 438.324 4.247 5 20 IIBD O=[N+]([O-])c1cnc(N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)c(Br)c1 539766048 MDNHAGRLTJGZHG-CYBMUJFWSA-N 435.326 4.302 5 20 IIBD Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cccc1S(=O)(=O)NC1CC1 540458061 MALFNZIZZHTONL-UHFFFAOYSA-N 449.554 4.097 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(C(=O)c2ccco2)CC1 540745873 JLRQQJVKSOOHFH-UHFFFAOYSA-N 431.514 4.115 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccc2nc(-c3ccccn3)oc2c1 540798333 BFHHQRBTMMABGY-UHFFFAOYSA-N 441.403 4.364 5 20 IIBD CCc1ccc([C@H](Nc2cccc(N3C(=O)CN(C)C3=O)c2)c2ccc([N+](=O)[O-])cc2)o1 541569800 PNEVDVPDQMMCLS-JOCHJYFZSA-N 434.452 4.350 5 20 IIBD Cc1c([C@@H](C)NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 541611008 CSAFULWWAYLJFI-GFCCVEGCSA-N 431.855 4.171 5 20 IIBD COc1cccc2c1OCC(c1nc(Cc3ccc([N+](=O)[O-])cc3Br)no1)=C2 547154842 NHAWHUXOUCIRBL-UHFFFAOYSA-N 444.241 4.273 5 20 IIBD CCn1c(SCc2nn(C)cc2Br)nc2cc3ccccc3cc2c1=O 549034769 NCKHNZOAYBFRGI-UHFFFAOYSA-N 429.343 4.358 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2cnc[nH]2)cc1 549102374 JDDXJQOXLKHYEH-UHFFFAOYSA-N 448.220 4.150 5 20 IIBD O=C(Nc1ccc2c(c1)N(CC(F)F)CCS2)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 551332799 OVAAEMPQJFZHJZ-UHFFFAOYSA-N 445.451 4.210 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)CCN(C2CCC2)C1 553863176 SKEVQIZPXYYGNP-QRVBRYPASA-N 428.577 4.024 5 20 IIBD COCCCOc1ccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1OC 557097303 FINWNCSUFYWZBN-UHFFFAOYSA-N 443.481 4.395 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 562155476 COJZKKJSXGACOS-UHFFFAOYSA-N 432.480 4.231 5 20 IIBD COc1cc(CNc2cccc3c2OCC(=O)N3)c([N+](=O)[O-])cc1OCc1ccccc1 563919831 ITNDPVXURXOZBX-UHFFFAOYSA-N 435.436 4.125 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCCC2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-])c1ccccn1 572138039 CCBNQRJZBSEYKA-ZACQAIPSSA-N 426.517 4.486 5 20 IIBD CC[C@@H](c1cccc(OC)c1)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br 574362188 MAXAMICDCUKCFW-SFHVURJKSA-N 436.306 4.388 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(C2(C(=O)NCc3ccccc3F)CC2)no1 578099138 DRKFRSFBYBBGQD-MRXNPFEDSA-N 438.459 4.201 5 20 IIBD CC(C)Oc1ccccc1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 582157248 WJXBJHQFSZXQFO-CYBMUJFWSA-N 427.486 4.142 5 20 IIBD CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 583396093 ZWYYUCMEUQOELK-UHFFFAOYSA-N 448.300 4.216 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 586825728 AWAIAPVZMMXKPJ-RHSMWYFYSA-N 449.429 4.138 5 20 IIBD COc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)o1 594669445 UFXGZWQKICOZLI-JTQLQIEISA-N 434.861 4.426 5 20 IIBD CN1C(=O)c2cc(Br)ccc2N[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 602756318 KHCSQYYISNHADZ-GOSISDBHSA-N 427.258 4.344 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)NC(C)(C)CC)cc2)cc1OC 603985248 FTTVWPJIVTVPCN-UHFFFAOYSA-N 429.473 4.173 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1 604037624 YDZMTNITXLLIJQ-SFHVURJKSA-N 438.914 4.386 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C)NC(=O)c1ccc(C(C)(C)C)cc1 604369089 GQDPBOMCMLAHII-QGZVFWFLSA-N 425.529 4.448 5 20 IIBD COc1cc(C(=O)Nc2ccc(C(=O)Nc3cccnc3)c(Cl)c2)ccc1[N+](=O)[O-] 608874386 FBSLYBLZJVTPPG-UHFFFAOYSA-N 426.816 4.156 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2cccc(COCC3CC3)c2)c1 609411263 PPKOTBVGZXILGK-UHFFFAOYSA-N 441.303 4.085 5 20 IIBD CCOc1ccccc1CN(CCCn1ccnc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 609447935 CWAMRWIYHALMSZ-UHFFFAOYSA-N 426.448 4.062 5 20 IIBD COc1cc(CN(C)C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])ccc1OC(F)F 609723316 DNYGCOWXZXEHMD-UHFFFAOYSA-N 444.818 4.286 5 20 IIBD Cc1c(CS(C)(=O)=O)cccc1NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 609726560 JWUZWLPMBSDQCF-UHFFFAOYSA-N 439.493 4.444 5 20 IIBD Cc1cc(F)ccc1N1CCC[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 609757668 PRRPPUHCOQFSEI-FQEVSTJZSA-N 440.519 4.044 5 20 IIBD O=c1c2cnn(-c3ccccc3[N+](=O)[O-])c2ncn1CCCOc1ccc2ccccc2c1 609962584 QLCJLYPDMFGFKJ-UHFFFAOYSA-N 441.447 4.113 5 20 IIBD Cc1c(C(=O)N2CCc3c2cccc3[N+](=O)[O-])cnn1-c1ccc(Br)cc1 609973795 KAVVRYVNXKHWDR-UHFFFAOYSA-N 427.258 4.054 5 20 IIBD CCN1CC[C@H](N(C)C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C[C@@H]1C 610125915 YMHTYGPDKACCAM-STQMWFEESA-N 440.331 4.032 5 20 IIBD COc1ccc(C(N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c2ccc(OC)cc2)cc1 610577172 YLBQSBDINSKANS-HSZRJFAPSA-N 447.491 4.097 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCc2[nH]c3c(Br)cccc3c2C1 611147716 FMHJGAWJFHKOFN-UHFFFAOYSA-N 443.301 4.149 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2CCCCCN2C(C)=O)CC1 611205522 OWNQMDMYLILAET-FQEVSTJZSA-N 433.574 4.350 5 20 IIBD Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Br 725986196 TYVMWHIVIUATKP-QWHCGFSZSA-N 435.274 4.088 5 20 IIBD Cc1oc(-c2ccsc2)nc1CC(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 727023534 QVWFYWKFQXDMTM-NSHDSACASA-N 449.872 4.386 5 20 IIBD COc1ccc(CC(=O)OCc2csc(COc3ccc(C)cc3)n2)cc1[N+](=O)[O-] 727886253 IOYRGYCAMFSSSW-UHFFFAOYSA-N 428.466 4.233 5 20 IIBD CC(C)(C)[C@H]1CCCN1C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 729402637 SVTBGFLLAQGIIE-LJQANCHMSA-N 432.498 4.013 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1nc(-c2ccccc2)cs1 730507409 RZMBJDNDJKUBSS-HNNXBMFYSA-N 438.509 4.046 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1F)Nc1cccc(CSc2ccccn2)c1 733450818 XTZINECQYYJQBA-UHFFFAOYSA-N 441.440 4.217 5 20 IIBD COc1cc(CN[C@@H]2CCCc3nc(C)ncc32)c([N+](=O)[O-])cc1OCc1ccccc1 734850144 QZYJXYCKWOBRGX-HXUWFJFHSA-N 434.496 4.448 5 20 IIBD C[C@@H](OC(=O)C1CCN(Cc2ccccc2)CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 741330038 MRDXQPJXVZIHON-OAHLLOKOSA-N 445.903 4.031 5 20 IIBD COc1ccc(C(=O)Oc2ccc(OCc3nc(C(C)(C)C)no3)cc2)cc1[N+](=O)[O-] 741586808 DAOCXMXDQJWFCP-UHFFFAOYSA-N 427.413 4.082 5 20 IIBD CC[C@@H](Cc1ccccc1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1I 741966461 QQYSXTWYRJFZKZ-AWEZNQCLSA-N 438.265 4.293 5 20 IIBD O=C1CCCN1C[C@@H]1CCCCN1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 743159574 UWCOAIMPFXJJCN-IBGZPJMESA-N 438.484 4.396 5 20 IIBD Cn1cc(C(=O)Oc2ccc(Cl)cc2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cn1 744285259 ZQTGXMPADANSRC-UHFFFAOYSA-N 435.223 4.107 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(=O)Nc1ccccc1Cl 744554198 LTKWELHRGFEFBI-CQSZACIVSA-N 431.876 4.423 5 20 IIBD CCN(CC1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1)C(=O)OC(C)(C)C 744716384 UZPQEJODIFZXEH-UHFFFAOYSA-N 425.913 4.357 5 20 IIBD COc1ccc(NC(=O)COC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])c1 745350710 MZKGQZMZPPDQNI-GJZGRUSLSA-N 439.251 4.196 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Oc1cccc2ccc(N3CCCC3)nc12 747845207 OTTLCLCDJHVUQY-UHFFFAOYSA-N 433.873 4.164 5 20 IIBD CCCCCCNC(=O)[C@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 748449373 YOUFIUVSHMYQOP-AWEZNQCLSA-N 442.463 4.137 5 20 IIBD Cc1ccsc1[C@@H]1C[C@H]1C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 748451568 QYRXDEGXCIXGKC-VXGBXAGGSA-N 428.388 4.269 5 20 IIBD Cc1cc2oc(=O)cc(COC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)c2cc1C 748947450 LMRFNXZNBKKWPA-UHFFFAOYSA-N 426.381 4.200 5 20 IIBD C[C@H](NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 750682337 DDYPGFNSXACXIB-QWHCGFSZSA-N 426.901 4.405 5 20 IIBD Cc1ccccc1Cc1noc(COC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])n1 750889185 ACDHNQUXQZSPKT-UHFFFAOYSA-N 431.832 4.043 5 20 IIBD C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 750915777 YSGYPQQEQYTMHV-PSLIRLAXSA-N 445.672 4.392 5 20 IIBD C[C@H](CC(=O)c1cccc(Br)c1)C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1 751666476 KJHQCIANOXTLER-LLVKDONJSA-N 447.241 4.451 5 20 IIBD CC(C)n1c([C@H]2CCCN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])C2)nc2ccccc21 752261036 NJZVFAIJGNJCAV-HNNXBMFYSA-N 446.504 4.233 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2ccccc2CC(=O)OC(C)(C)C)cc1[N+](=O)[O-] 753079607 COLNLRTWIZIJAA-UHFFFAOYSA-N 440.905 4.242 5 20 IIBD Cc1c([C@@H](C)NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cnn1-c1ccc(F)cc1 756963524 CZZQYJUBOWNPCG-GFCCVEGCSA-N 431.855 4.442 5 20 IIBD C[C@@H](OC(=O)c1ccc(C(=O)Nc2ccccc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 758676311 XROGQKMIURFCBF-OAHLLOKOSA-N 433.420 4.031 5 20 IIBD Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 760793721 PTCDFISQJBYJDW-SECBINFHSA-N 442.211 4.302 5 20 IIBD O=C(OCCCSCc1ccccc1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 761405421 LMALPWZJVZILRG-INIZCTEOSA-N 434.539 4.128 5 20 IIBD C[C@H](C(=O)Nc1cccnc1N1C(=O)O[C@@H](C(F)(F)F)[C@@H]1C)c1cccc([N+](=O)[O-])c1 763184092 WBYJMRFGWSCZEV-ZIBATOQPSA-N 438.362 4.008 5 20 IIBD O=C(Nc1ccnn1Cc1ccccc1Br)c1cc(F)c([N+](=O)[O-])cc1F 763385475 ZBXHVMMWAUSSKY-UHFFFAOYSA-N 437.200 4.133 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 763718235 APAUMANPRSWFGT-YFKPBYRVSA-N 438.692 4.128 5 20 IIBD Cn1c(Cl)cnc1CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 764092709 GBDROVGSNIGKPV-UHFFFAOYSA-N 434.283 4.177 5 20 IIBD Cc1ccc([C@@H](O)CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)o1 764346678 AVFHMHWVTGTZFM-IBGZPJMESA-N 429.860 4.225 5 20 IIBD COc1ccc(CC(=O)O[C@@H](C)c2nc3cc(C(F)(F)F)ccc3n2C)cc1[N+](=O)[O-] 764537094 XJVZCJMCNWNUBG-NSHDSACASA-N 437.374 4.356 5 20 IIBD COc1cc(C2SCCS2)ccc1OS(=O)(=O)c1c([N+](=O)[O-])ccc(C)c1C 765165675 ZRJXLYYYOYYAJO-UHFFFAOYSA-N 441.552 4.467 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Oc2ccc(N(C)C(=O)C(C)(C)C)cc2)cc1[N+](=O)[O-] 765204072 PYEJUIVCCFCQKL-UHFFFAOYSA-N 440.905 4.333 5 20 IIBD O=C(NCc1ccco1)c1cccc(COC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1 766219906 IWJLECQURGAVLM-UHFFFAOYSA-N 431.404 4.023 5 20 IIBD CCOC(=O)C[C@@H](OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(F)c(F)c1 766951297 NEZNASYEACKUKP-LJQANCHMSA-N 432.379 4.135 5 20 IIBD C[C@H](OC(=O)c1cn(C)nc1-c1cccs1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 768676928 DGETVXOKKWZBQF-NSHDSACASA-N 425.426 4.025 5 20 IIBD COCCOc1c(Cl)cc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1Cl 773901221 ZIVIYYRIOLSOHB-UHFFFAOYSA-N 430.200 4.087 5 20 IIBD COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 774220895 WOOWDXNRFUARHF-FQEVSTJZSA-N 441.484 4.067 5 20 IIBD CC(C)([C@@H](OC(=O)c1ccc(OC(F)F)cn1)c1ccc(Br)cc1)[N+](=O)[O-] 774374207 FMEABCABYRHNFW-AWEZNQCLSA-N 445.216 4.399 5 20 IIBD C[C@@H](CCS(C)(=O)=O)OC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 774841643 YAEHFJIYHMXUCD-LBPRGKRZSA-N 443.930 4.379 5 20 IIBD O=C(O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)c1csc(Cc2ccccc2F)n1 778776902 MNXHHKCRJHTLQM-KRWDZBQOSA-N 427.457 4.217 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c(Cl)c1 778887647 MKIATHRLVLMXNA-JTQLQIEISA-N 428.775 4.342 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1 781752473 XJXYPFVSBOJULE-UHFFFAOYSA-N 442.815 4.287 5 20 IIBD C/C(=C\C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 783862573 LZSBBTFQTQHZTJ-LBKOFNPBSA-N 441.440 4.106 5 20 IIBD CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 785657809 NQXPGWQEGRSXHF-SFHVURJKSA-N 433.427 4.171 5 20 IIBD COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1N)CCO2 787054234 VCUKTDUQGBKDKD-QFIPXVFZSA-N 433.464 4.352 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(Br)cnc2Cl)cc1OC 787954444 CUHIEERZWDSSJV-UHFFFAOYSA-N 430.642 4.065 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1 792472063 HAQBOLHKXXBXNQ-UHFFFAOYSA-N 436.174 4.072 5 20 IIBD O=C(COc1cc(Cl)c(Cl)cc1[N+](=O)[O-])N(Cc1ccco1)CC(F)(F)F 794497787 QARDOQHIMCHMEQ-UHFFFAOYSA-N 427.162 4.465 5 20 IIBD CC(C)(C)OC(=O)N1CCC(CCOC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)CC1 795514903 NTJYDVZZKDCTTK-UHFFFAOYSA-N 445.472 4.043 5 20 IIBD COc1ccccc1[C@H]1CC[C@H](C)CN1Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O 795676498 SRNZMHFZBKIJEZ-HTAPYJJXSA-N 434.496 4.258 5 20 IIBD COc1ccc(NC(=O)[C@@H](OC(=O)c2cccc([N+](=O)[O-])c2OC)c2ccccc2)cc1 796305683 MCJQBOLGJCNHCV-FQEVSTJZSA-N 436.420 4.149 5 20 IIBD CCCc1nc(C)c(C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)o1 796551791 HEGBHCPTUXVHGL-GFCCVEGCSA-N 444.469 4.151 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)OCc1cnc(Cl)cn1 798584750 IIGUFMAJKVEMJL-UHFFFAOYSA-N 449.854 4.177 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1 801897449 GAHARSJNWJXPSO-MGPLVRAMSA-N 444.337 4.203 5 20 IIBD CN(C)C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1ccc(Cl)cc1 802381092 GLTXWDNDLSCJQB-CQSZACIVSA-N 444.688 4.183 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] 807689083 PCBSLMZOPGFMME-JOCHJYFZSA-N 435.436 4.187 5 20 IIBD C[C@@H](NC(=O)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2)c1ccc(F)c2ccccc12 809306389 QEFOJIICBYAIRO-LLVKDONJSA-N 441.371 4.058 5 20 IIBD Cc1ccc(C)n1C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 809813935 VMPJSPGSBAPISL-UHFFFAOYSA-N 432.329 4.346 5 20 IIBD CCOc1cc(NCc2cc(I)cc([N+](=O)[O-])c2)ccc1OC 810134046 VDYKQWGBADMPEV-UHFFFAOYSA-N 428.226 4.219 5 20 IIBD COC(=O)c1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2Cl)c(Cl)cc1Cl 811831849 IKNVCWHCSBWCTF-UHFFFAOYSA-N 439.660 4.142 5 20 IIBD C[C@@H](C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(Br)c1 812610116 SJKVJHTUYROIKE-SNVBAGLBSA-N 441.665 4.296 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1)CC2 813507150 ADMQJDRZAXEWKS-ZWKOTPCHSA-N 429.517 4.076 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N1CCC2(CC1)OCCCO2 815156356 CJCKBPSAZUUXMI-FQEVSTJZSA-N 445.903 4.157 5 20 IIBD O=C(NCc1ccc(OCCOc2ccccc2)nc1)c1cccc([N+](=O)[O-])c1Cl 816891642 ZEUZRJDXFUVBBR-UHFFFAOYSA-N 427.844 4.031 5 20 IIBD CS(C)(=O)=Nc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1 820364128 RUOHPAUVEDKBKE-UHFFFAOYSA-N 430.255 4.108 5 20 IIBD COc1cccc(OC)c1OC1CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 820644653 FSHMUWBYGVAIBS-UHFFFAOYSA-N 437.290 4.422 5 20 IIBD Cc1cccc(C)c1NC(=O)CCCOC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 913223576 PWHMFYMGUBUFLH-UHFFFAOYSA-N 439.512 4.390 5 20 IIBD COc1ccc(CSCC(=O)O[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1[N+](=O)[O-] 914918006 UJEIMRVVOLLKLW-AWEZNQCLSA-N 443.481 4.499 5 20 IIBD Cc1ccc(-c2nc(CC(=O)O[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)cs2)o1 914964916 ZALCEZGQSMHLAT-CYBMUJFWSA-N 429.454 4.041 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 916535816 KJSDPNBYWJCZQG-LSDHHAIUSA-N 444.484 4.239 5 20 IIBD COc1ccc2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])c(Br)c3)cc2c1 917856188 UHICFESEWZXCDL-UHFFFAOYSA-N 438.255 4.287 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC(=O)Nc1ccccc1C(F)(F)F 920777971 OAUOBEYCAYUAKH-JTQLQIEISA-N 446.765 4.216 5 20 IIBD C[C@H](OC(=O)CCOc1cc(Cl)ccc1Cl)C(=O)Nc1ccccc1[N+](=O)[O-] 1317976809 KSQRNVIMIJKPTO-NSHDSACASA-N 427.240 4.241 5 20 IIBD O=C(NCCN[C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccccc1C(F)(F)F 1320577052 HOJWGUIFRSBBJY-KXBFYZLASA-N 435.446 4.344 5 20 IIBD C[C@H](OC(=O)c1cc2c(OC(F)(F)F)cccc2[nH]1)C(=O)Nc1cccc([N+](=O)[O-])c1 1321928742 HQLSZMFYOFDHCY-JTQLQIEISA-N 437.330 4.159 5 20 IIBD COc1ccc(CSCC(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1[N+](=O)[O-] 1322656464 KEPJRPUNJDFBSL-MRXNPFEDSA-N 440.525 4.119 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1cncc(OCC(F)F)c1 1324125192 SSAOTZYPLHOYGX-UHFFFAOYSA-N 427.363 4.117 5 20 IIBD COc1ccc(NC(=O)c2cnc3c(c2)c(C2CC2)nn3-c2ccccc2)cc1[N+](=O)[O-] 1342138246 IMZCCTOWGIPFDC-UHFFFAOYSA-N 429.436 4.467 5 20 IIBD Cc1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)c(Cl)n1 1520293564 MNNPUCBYMAXRPH-UHFFFAOYSA-N 443.813 4.325 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])o4)CCC3)cc2)cnc1C 1787007133 XNIWFCMOABAAFJ-UHFFFAOYSA-N 434.452 4.261 5 20 IIBD C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3n[nH]cc3[N+](=O)[O-])CCC2)cc1)c1ccccc1 1791338290 XBUWZHLPDJAGFE-MRXNPFEDSA-N 447.495 4.259 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(C2(NC(=O)[C@@H]3CCCCO3)CCC2)cc1 1792315483 RRSHKOPQKCHYME-UNJYKCMZSA-N 449.507 4.311 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/C1CC1)c1cc2cc([N+](=O)[O-])ccc2s1 1793158742 NXQIKMRKFYUMJH-KFSMGIKGSA-N 425.510 4.028 5 20 IIBD Cc1cc(C)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)c1 1830007113 BQUSRMOQWTYWGF-FQEVSTJZSA-N 439.512 4.352 5 20 IIBD Cc1csc(C(=O)N2CCCC23CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)C3)c1 1841703251 LLTNLBWJSJXKQE-UHFFFAOYSA-N 433.917 4.057 5 20 IIBD CC1(C(=O)N2CCCC23CN(C(=O)C2(c4cccc([N+](=O)[O-])c4)CCC2)C3)CCCCC1 1846323656 OSAZCSYFNHDUTC-UHFFFAOYSA-N 439.556 4.190 5 20 IIBD O=C(COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(OC(F)F)c(Cl)c1 10749353 UXMRBTZBSVVPLU-UHFFFAOYSA-N 435.166 4.299 5 20 IIBD CCOc1cc(C(=O)NCCc2ccc(-c3csc(C)n3)cc2)c([N+](=O)[O-])cc1OC 12621252 WCVXFRFTWVLKSS-UHFFFAOYSA-N 441.509 4.407 5 20 IIBD O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCN(c2ccc(F)cc2)CC1 15563391 XALGAXXQPGHURJ-UHFFFAOYSA-N 434.471 4.308 5 20 IIBD O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(Br)c(C(F)(F)F)c1 16094717 NWQJNXVHEIKMHH-UHFFFAOYSA-N 425.182 4.177 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2ccc(Br)cc2)c1 16196500 OOLLBDJCHHJXCS-SNVBAGLBSA-N 439.287 4.263 5 20 IIBD CCCCN1C(=O)CC[C@H](C(=O)OCc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1OC 19178960 FFRQNQDLSXSKSW-NZQKXSOJSA-N 440.496 4.427 5 20 IIBD O=C(Cc1ccccc1[N+](=O)[O-])OCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 19312999 NZMRPQQKNDHPTJ-UHFFFAOYSA-N 428.460 4.181 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)nc2cc3ccccc3cc2c1=O 22178256 GLWSZORGVFUMFS-AWEZNQCLSA-N 447.516 4.418 5 20 IIBD C[C@H](OC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)N[C@H](C)c1cc2ccccc2o1 22243745 XWIHMZMITDMMNZ-KGLIPLIRSA-N 437.452 4.338 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)CC2)cn1 26595533 IDUUDTPPBACXOD-UHFFFAOYSA-N 449.458 4.454 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc([N+](=O)[O-])c1 31265648 HWUUHTFNWYZDDX-UHFFFAOYSA-N 434.408 4.278 5 20 IIBD CC1CCN(c2nnc(SCc3nc(-c4cccc([N+](=O)[O-])c4)no3)n2C2CC2)CC1 31850237 RVQSFWZPJYIGEM-UHFFFAOYSA-N 441.517 4.100 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1cccc(COCc2ccccc2)c1 32441994 JYMKTJUZDWCLLD-UHFFFAOYSA-N 426.494 4.099 5 20 IIBD COc1cc(NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)c(OC)cc1Cl 46642996 KPGNWKZXCOSBKQ-UHFFFAOYSA-N 426.878 4.146 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1C 58163382 BPECUSLPAYAMGI-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 58520261 MUMLFSAGLGFIQG-IAGOWNOFSA-N 425.485 4.040 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc([N+](=O)[O-])c1C 60487423 XIDWTVPTTAJQRO-UHFFFAOYSA-N 431.514 4.029 5 20 IIBD O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 65110546 PWPBBOPEJNNIMQ-UHFFFAOYSA-N 440.500 4.252 5 20 IIBD Cc1cc(NC(=O)c2ccco2)sc1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 105461400 GHDSQXHTUQIGOO-UHFFFAOYSA-N 444.421 4.034 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(N3CCOCC3)c(F)c2)CC1 110867579 RPFSHJQJNXTBMQ-UHFFFAOYSA-N 442.491 4.059 5 20 IIBD CC(C)c1ccc(CNCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1[N+](=O)[O-] 236719780 GNDFRBDUNCMNDX-QZTJIDSGSA-N 425.529 4.257 5 20 IIBD O=C(Nc1ccc(OC(F)F)c(Cl)c1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303538681 YAISWCYTLHIBAN-LLVKDONJSA-N 445.831 4.154 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NC3CCN(c4cccnn4)CC3)c([N+](=O)[O-])c2)cc1 428675056 UINSZCFNMSTDMI-UHFFFAOYSA-N 432.484 4.026 5 20 IIBD O=C(c1ccc(F)cc1)C1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 433271591 UPODZZPELHLEGG-UHFFFAOYSA-N 437.374 4.462 5 20 IIBD CN(C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[C@@H](c1cccc(F)c1)c1cnn(C)c1 436359741 HLNLDBYDPMAFCG-DEOSSOPVSA-N 440.478 4.416 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1ccco1)Cc1ccc(C)s1 439749270 VZPRDWQIFQDDAT-UHFFFAOYSA-N 443.481 4.124 5 20 IIBD CCOC(=O)c1nc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])oc1C 441284191 ZLZUADLPJSLLQP-UHFFFAOYSA-N 427.438 4.471 5 20 IIBD Cc1cc(C)c(S(=O)(=O)N[C@@H](c2c[nH]c3ccccc23)C(F)(F)F)cc1[N+](=O)[O-] 443453620 MHNBABUTAVJABC-KRWDZBQOSA-N 427.404 4.275 5 20 IIBD O=C(NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444477376 OKAOAQZVWDZBKS-GTJPDFRWSA-N 436.405 4.034 5 20 IIBD Cc1nc(CSc2ccc(C(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)cc2)cs1 444635836 LVQFGSWWTSKNJU-UHFFFAOYSA-N 439.522 4.458 5 20 IIBD CCCCOc1ccc(/C=C/c2nc(-c3c([N+](=O)[O-])nc(C)n3C)no2)cc1OCC 445606005 XXMUIKUIQRBPPX-PKNBQFBNSA-N 427.461 4.435 5 20 IIBD COc1ccc([C@@H]2NC(=O)N(c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)C2=O)cc1F 445982916 XDLTWIZOQHCZAN-FQEVSTJZSA-N 437.383 4.332 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCC1CCN(c2ccncc2)CC1 447687020 BJURLKNKKANRLR-UHFFFAOYSA-N 431.365 4.367 5 20 IIBD O=C(Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 448326378 ZEXSLDSOKFTTHD-UHFFFAOYSA-N 442.357 4.237 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCOC1 461594571 GYDKMUYFVSOCDH-INIZCTEOSA-N 441.919 4.222 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 462630396 WHQOCFLZXPRBJC-AZUAARDMSA-N 449.507 4.331 5 20 IIBD COc1cc(CN2CC[C@](CO)(c3ccccc3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 463021768 CFQHWKWBFVFOAX-SANMLTNESA-N 448.519 4.318 5 20 IIBD C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C1 464232085 HTZHCLBRLPTQRB-GUYCJALGSA-N 441.488 4.237 5 20 IIBD C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 464367642 SFPWSLJLLKXKTD-GOSISDBHSA-N 446.507 4.281 5 20 IIBD Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)cnc1N1CCCC[C@H]1C 464423083 BJCMGUDPFOOASO-OAHLLOKOSA-N 441.513 4.026 5 20 IIBD Cc1cccc([C@@H]2CCCCN2C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])c1C 464591440 JPVBWGOIFFYVSM-SFHVURJKSA-N 427.526 4.156 5 20 IIBD CCN(C(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-])[C@@H]1CCOC(C)(C)C1 464681123 DPIOGKJGCYIUCM-OAHLLOKOSA-N 449.529 4.059 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1 466280713 MFYIEWQGGJECRF-DQLDELGASA-N 441.915 4.338 5 20 IIBD C[C@@]1(CNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CCO[C@H]1C1CC1 466830081 CCSKBOIBDBAGHR-HKUYNNGSSA-N 439.299 4.022 5 20 IIBD CCc1cc(=N[C@@H](C)c2ccc3c(c2)O[C@H](CC)C(=O)N3)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 467012214 BZXBUVLATCBNKR-VBKZILBWSA-N 447.495 4.319 5 20 IIBD CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)c1cccc([N+](=O)[O-])c1N 468693033 HLKFOWSQLGUCRW-UHFFFAOYSA-N 433.493 4.363 5 20 IIBD C[C@H](O)C[C@@H](CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccccc1 468987953 OFIUZLXBJVMGJO-WFXMLNOXSA-N 448.523 4.447 5 20 IIBD CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)CC2 470122038 RUZOHHLXFLEASH-LJQANCHMSA-N 446.504 4.231 5 20 IIBD CCCc1c(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cnn1-c1cc(F)c(OC)cc1F 470700973 KHHUJFUQBGAJQN-UHFFFAOYSA-N 434.374 4.411 5 20 IIBD COC[C@@H](Cc1ccccc1)NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 471611842 QTZUTLYPLHRLCS-YLJYHZDGSA-N 434.496 4.150 5 20 IIBD CN(C)c1ccc(-c2cncc(C(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)c2)cc1 472033539 OPHVSPFLIUIKFR-UHFFFAOYSA-N 446.507 4.406 5 20 IIBD COc1cc(CN2CC[C@]3(C2)OCc2ccccc23)c([N+](=O)[O-])cc1OCC(F)(F)F 473120719 GGMCBSOSTPMLOF-HXUWFJFHSA-N 438.402 4.176 5 20 IIBD COC(=O)C[C@@](C)(NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccncc1 475103316 XPKGTEMFKOKQBR-HSZRJFAPSA-N 439.443 4.489 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1cccc(Br)c1)CC1CC1 475475212 ZIGVAEXMLXVVIM-UHFFFAOYSA-N 446.301 4.043 5 20 IIBD CCc1onc(-c2ccccc2Cl)c1C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 477099925 LDMXPIYIMNYMDC-UHFFFAOYSA-N 425.832 4.272 5 20 IIBD CCOC(=O)c1csc([C@H]2CCCN2c2ncc([N+](=O)[O-])c(C)c2Br)n1 478045675 HFTLSJDUXMYCKI-LLVKDONJSA-N 441.307 4.035 5 20 IIBD CN(C)C(=O)Nc1ccc(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1 478578091 ZRVZTWIGYIVZPN-UHFFFAOYSA-N 448.479 4.197 5 20 IIBD CCOc1cc(OCC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)ccc1[N+](=O)[O-] 478729979 IFFGDZYUWJAJGA-OAQYLSRUSA-N 430.457 4.479 5 20 IIBD O=[N+]([O-])c1cc(I)ccc1OCc1csc(-c2ccccn2)n1 479166443 RFLZXPFXLWWDDY-UHFFFAOYSA-N 439.234 4.297 5 20 IIBD CSc1cccc(C(=O)Nc2cc(C)cc(N3CCN(C(C)C)CC3)c2)c1[N+](=O)[O-] 482012369 FRLAYKBGDSEREG-UHFFFAOYSA-N 428.558 4.408 5 20 IIBD O=C(Nc1ccc(N2CCCC2=O)c(F)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 482994566 XHBRFNOVJMZZKR-UHFFFAOYSA-N 426.429 4.237 5 20 IIBD O=[N+]([O-])c1ccc(OC(F)F)c(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 485472809 RPHBTFVHVNALIW-UHFFFAOYSA-N 430.282 4.155 5 20 IIBD COC(=O)[C@H]1CN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c2ccccc21 485711183 QVPXIVDYFWFSBM-FQEVSTJZSA-N 432.432 4.091 5 20 IIBD CC(=O)Nc1ccc(Cl)c(C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c1 486920291 MEIKNURDINHTDQ-GOSISDBHSA-N 447.875 4.019 5 20 IIBD COc1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)c2ccccc2)cc1Br 487476123 RBHYZYIZBQKGBM-GOSISDBHSA-N 430.258 4.213 5 20 IIBD CC(C)CCn1ncc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1C(C)C 487755021 NBXQVGLLFFUBLG-UHFFFAOYSA-N 441.532 4.091 5 20 IIBD O=c1c([N+](=O)[O-])cn(Cc2cccc(Br)c2OC(F)F)c2ccccc12 487875937 NAFVVQHADNUDJB-UHFFFAOYSA-N 425.185 4.322 5 20 IIBD Cc1cccc([C@@H](NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C(C)(C)C)c1 490493118 PSAJYIKDYXHLKC-LJQANCHMSA-N 444.557 4.220 5 20 IIBD COc1ccc(CSCC(=O)N[C@H]2CCC[C@@H]2OCc2ccccc2)cc1[N+](=O)[O-] 491199697 JLZNVAXXXADUIJ-ICSRJNTNSA-N 430.526 4.091 5 20 IIBD CCCCCn1nc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c2ccccc2c1=O 493232550 CGRWVSIQIZDNHE-UHFFFAOYSA-N 434.496 4.300 5 20 IIBD CCN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@H](c1ccc(Br)cc1)c1cccnc1 496588775 BJIIVYKJVXRSBX-LJQANCHMSA-N 443.301 4.343 5 20 IIBD Cc1cc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c(F)cc1Br 497339906 HHDNATVJVDDJAE-UHFFFAOYSA-N 437.269 4.159 5 20 IIBD Cn1cnnc1Sc1ccc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1Cl 502093440 SJGWZFQFCJBXSI-UHFFFAOYSA-N 442.888 4.121 5 20 IIBD Cc1ccc(-n2nc(C(=O)Nc3cc(-c4cccc([N+](=O)[O-])c4)[nH]n3)c3c2CCC3)c(F)c1 502973527 ZQTJARAHWRRDGP-UHFFFAOYSA-N 446.442 4.359 5 20 IIBD C[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccncc2)cc1 504250246 ATKTUXZCYSZUKT-OAHLLOKOSA-N 445.479 4.307 5 20 IIBD CC(C)(NC(=O)N[C@@H](c1cncc(Br)c1)C1CC1)c1ccc([N+](=O)[O-])cc1 505360270 RMPSPPDDIHBIEC-QGZVFWFLSA-N 433.306 4.438 5 20 IIBD Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCCN1Cc1c(F)cc([N+](=O)[O-])cc1F 509007483 QBRLISHTANZRAE-OAQYLSRUSA-N 446.429 4.388 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2CCCC[C@H]21 509026468 LAOUORQDIQOMCN-BLLLJJGKSA-N 428.270 4.303 5 20 IIBD COc1cc(C(=O)NCCCc2ccccc2)c([N+](=O)[O-])cc1OCc1cscn1 509878785 OPIMLJLVWMQSHT-UHFFFAOYSA-N 427.482 4.002 5 20 IIBD COc1cc(C(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])cc1OC(F)F 512286610 VVPSLHRRLAXGCV-XJKSGUPXSA-N 436.411 4.103 5 20 IIBD COc1ccc(CN(C)C(=O)COc2ccc(-c3ccccc3)cc2[N+](=O)[O-])cc1OC 512769665 XWRLBKUHGYDSKD-UHFFFAOYSA-N 436.464 4.316 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O 513613007 ABDCRVATCFRNCJ-LPHOPBHVSA-N 427.476 4.141 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCC[C@H](OCC(F)(F)F)C3)cc2[N+](=O)[O-])CC1 515440259 AUAXFGJLWVFBKR-INIZCTEOSA-N 429.439 4.015 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 515733646 DBMPTSDJAASPCD-UHFFFAOYSA-N 444.553 4.385 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)cc1OC 520003391 KVGSWHBHHSPWPS-QFIPXVFZSA-N 446.475 4.429 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCC[C@H](N4[C@@H](C)CC[C@H]4C)C3)cc2[N+](=O)[O-])CC1 521261661 XMJGDWZJWHBPSQ-ZVDOUQERSA-N 428.577 4.309 5 20 IIBD CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] 521573300 QMGUHNYONHYKFY-UHFFFAOYSA-N 440.725 4.215 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCCCCCOC2CCCCC2)ccc1[N+](=O)[O-] 521972757 INRGJBMBWWNWPZ-QFIPXVFZSA-N 445.560 4.144 5 20 IIBD O=C(NCc1ccccc1Sc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 522655814 PGSABDCMYMPRON-UHFFFAOYSA-N 449.536 4.173 5 20 IIBD Cc1ccccc1CN(Cc1ccccn1)C(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 522669176 HJMQGCSFDLISAV-UHFFFAOYSA-N 428.448 4.395 5 20 IIBD CSc1ccc(C(=O)N[C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)cc1[N+](=O)[O-] 523169976 PWMJYEYBBYFBEU-OAHLLOKOSA-N 442.541 4.064 5 20 IIBD COc1ccc(Br)c(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c1 523508857 YSFXPNITWPJEEN-UHFFFAOYSA-N 430.052 4.381 5 20 IIBD C[C@H](O)C[C@@H](C)CNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 525397123 LCMNCCFVZOTKJM-OLZOCXBDSA-N 431.539 4.493 5 20 IIBD COc1cc(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2C)cc([N+](=O)[O-])c1OC 525500491 GKYLBWOKEDPQEB-OAHLLOKOSA-N 441.484 4.187 5 20 IIBD CN(C)C(=O)C[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c2ccc(Cl)cc21 525539472 CJPDBGQSYFWOOC-ZDUSSCGKSA-N 427.844 4.217 5 20 IIBD CC[S@](=O)[C@H]1CCC[C@H](NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 531176877 WOYVAHXAIHSMIR-UKMWPXLWSA-N 446.569 4.352 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC(c4n[nH]c(-c5ccccc5)n4)CC3)o2)c1 533507508 ZBWGBDLDPHRPIV-UHFFFAOYSA-N 444.495 4.457 5 20 IIBD C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1=O 534060422 GLVRWZBOVAYQSK-DEOSSOPVSA-N 442.431 4.370 5 20 IIBD O=C(Nc1ccc(F)cc1I)c1c[nH]c2cccc([N+](=O)[O-])c12 535704940 LQGZTFPPUNJUDY-UHFFFAOYSA-N 425.157 4.072 5 20 IIBD O=C(Nc1cccc2c1C(=O)NC2)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 537314388 PTKOKLFAWIVCLT-UHFFFAOYSA-N 436.855 4.356 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)cc1SC 537590748 OQDJXGHGPFJRGO-LLVKDONJSA-N 439.896 4.127 5 20 IIBD O=C(CSCc1coc(-c2ccccc2)n1)NCCc1ccc(Cl)cc1[N+](=O)[O-] 537592669 RAUMZTPHGCRMIM-UHFFFAOYSA-N 431.901 4.495 5 20 IIBD O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 539448059 CHDPTKVJHQDCMR-UHFFFAOYSA-N 435.469 4.260 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCn2c(nnc2-c2ccccc2)C1 539656042 IUUITOGTQQHYND-UHFFFAOYSA-N 437.525 4.402 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1ccc(OC2CCCC2)c(OC)c1 540354913 VLYZQGKXYCCRDE-HNNXBMFYSA-N 443.500 4.223 5 20 IIBD O=C(Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)N(Cc1ccccc1)CC(F)(F)F 541781188 PTKHTGRMGUYCAN-UHFFFAOYSA-N 426.782 4.189 5 20 IIBD CC(C)c1cccc(-c2ccc(C(=O)NCCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)o2)c1 542584139 HHBJGLKKKXXXQB-UHFFFAOYSA-N 442.493 4.182 5 20 IIBD C[C@@H](C(=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1)c1ccc([N+](=O)[O-])cc1F 542684188 DDQCHRBAWKSUJY-KZULUSFZSA-N 426.366 4.456 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCCC[C@H]2CNC(=O)Nc2ccccc2)cc1[N+](=O)[O-] 543932100 UOTBWAKQDBEZPL-PXNSSMCTSA-N 439.516 4.350 5 20 IIBD COc1ccc([C@H](CN2CCCC2)Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)cc1 544395875 QIYPRQXPMAPMSV-QFIPXVFZSA-N 438.528 4.088 5 20 IIBD NC(=O)c1ccc(SCc2nc(-c3ccc(Cl)c(Cl)c3)no2)c([N+](=O)[O-])c1 544904015 KCLYNNVSHLJXND-UHFFFAOYSA-N 425.253 4.343 5 20 IIBD O=C(NCc1ccco1)c1cccc(-c2noc(Cn3ccc4cc([N+](=O)[O-])ccc43)n2)c1 544943330 HVSCFHSZDIDXME-UHFFFAOYSA-N 443.419 4.171 5 20 IIBD COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1C 545229729 HFCADLJNKIBECX-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD CCO[C@@H]1C[C@@H](NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)[C@]12CCCO2 545348430 AYXMNFSERHCQKV-KCZVDYSFSA-N 446.887 4.497 5 20 IIBD Cc1[nH]c2ccccc2c1Cc1noc(-c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)n1 546356951 PHNLFFLIUXJWKH-UHFFFAOYSA-N 447.480 4.305 5 20 IIBD Cc1nn(Cc2ccc(-c3nc(-c4cc(OC5CCC5)ccn4)no3)cc2)c(C)c1[N+](=O)[O-] 546510411 LSTOTKHNUQRNEL-UHFFFAOYSA-N 446.467 4.500 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1nnn(Cc2ccccc2F)c1C 551660705 OOFMKZNLKXSAQC-UHFFFAOYSA-N 448.252 4.005 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](NCc2ccccc2)c2ccco2)cc1SC 553213532 GVIBHPRKXFEINN-QGZVFWFLSA-N 441.509 4.179 5 20 IIBD O=C(Nc1nc2c(Br)cccc2s1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 553747392 SPKKGRXIGDVWQN-UHFFFAOYSA-N 444.270 4.405 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@H](C)CCOCc3ccccc3)cc2)c(C)c1[N+](=O)[O-] 554098868 GWVOWRSMQPRTGB-QGZVFWFLSA-N 436.512 4.182 5 20 IIBD O=C(NC[C@H]1CCC[C@@H](CO)C1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 557984673 FTBBVKQEGGHYCY-JKSUJKDBSA-N 431.920 4.389 5 20 IIBD CN(Cc1ccc2ccccc2c1)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 560169675 IKEMCLOFUVROJD-UHFFFAOYSA-N 442.269 4.108 5 20 IIBD C[C@@H](CNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)CN(C)C 561093021 VHGMAHQJIMGMQY-JIHKLPAASA-N 438.553 4.449 5 20 IIBD CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NC(=O)c2cc3ccccc3c3cccnc23)s1 561455645 JLAJBLVTCKQIRZ-UONOGXRCSA-N 433.537 4.195 5 20 IIBD O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 563758725 BYIOZICITHHWCO-PMACEKPBSA-N 428.876 4.101 5 20 IIBD O=C(Nc1ncc(Cc2ccc(F)c(F)c2)s1)N1CCOc2ccc([N+](=O)[O-])cc2C1 565924668 WNHCHTHRRQOHRL-UHFFFAOYSA-N 446.435 4.347 5 20 IIBD CC(C)Oc1ccc([C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])N(C)C)cc1 572316593 SFAZQNGUJBCHJW-LJQANCHMSA-N 439.434 4.434 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1[nH]c2ccc(Br)cc2c1Cl 579670523 REXKTGFPACOCCN-UHFFFAOYSA-N 448.664 4.298 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)c(C)cc1Br 581267294 FTKNBECZCGDVKB-UHFFFAOYSA-N 437.246 4.022 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 586840756 ZHESBDIMEDAMLY-KRWDZBQOSA-N 429.192 4.346 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Sc2n[nH]c(/C=C\c3ccccc3)n2)c([N+](=O)[O-])c1 591374424 FDPKZEXSYHCUDB-BIRHUZIMSA-N 425.470 4.011 5 20 IIBD Cc1cccn2cc(COc3ccc(C(=O)N4CCc5cc([N+](=O)[O-])ccc54)cc3)nc12 593147839 PZKZCMHQHOHZGN-UHFFFAOYSA-N 428.448 4.333 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)CCCc2cc(-c3ccc(F)cc3)no2)c1C 608781530 BJZLQUSIFOHKJY-UHFFFAOYSA-N 447.488 4.259 5 20 IIBD COc1ccc(-c2ccc(CNC[C@H](O)COc3c(C)cccc3C)o2)c([N+](=O)[O-])c1 608836672 DKPTWUQMQHBHFF-KRWDZBQOSA-N 426.469 4.010 5 20 IIBD COc1cc(C(=O)NC(C)(C)Cc2ccc(Br)cc2)c([N+](=O)[O-])cc1OC 608949838 ZOXJOUNTWSUMON-UHFFFAOYSA-N 437.290 4.126 5 20 IIBD CCCC(=O)Nc1nc2ccc(NC(=O)Cc3ccc(OC)c([N+](=O)[O-])c3)cc2s1 609010961 MREBQXRQEXBJED-UHFFFAOYSA-N 428.470 4.133 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2CCN(C)c3ccccc3C2)c([N+](=O)[O-])c1 609039444 DMQVHDOZMLPOTF-UHFFFAOYSA-N 445.475 4.069 5 20 IIBD COC(=O)c1ccc2c(c1)CN(C(=O)c1ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c1)C2 609301442 AJNHSOGWKXBCKK-IYBDPMFKSA-N 437.496 4.020 5 20 IIBD O=C(Cc1ccccc1[N+](=O)[O-])Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1 609697484 BUNWZBCKMKNLJR-UHFFFAOYSA-N 446.250 4.125 5 20 IIBD COc1cc(C(=O)NCc2ccc(CN3C[C@H](C)C[C@@H](C)C3)cc2)cc([N+](=O)[O-])c1OC 610196090 LCHYEMBERDTZSS-IAGOWNOFSA-N 441.528 4.020 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c2ccccc2N(C)C1=O 610209608 NNHKRIHXBUBBKN-QGZVFWFLSA-N 444.491 4.466 5 20 IIBD CCc1sc(=O)n(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c1-c1ccccc1 610219632 XUXOPTGHCSMBOJ-UHFFFAOYSA-N 425.466 4.046 5 20 IIBD Cc1ccc(NC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(OCc2ccccc2)c1 611821769 PYWMFUAQXOKQHI-UHFFFAOYSA-N 433.464 4.159 5 20 IIBD COC1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CC1 613512232 WTMUEONHLAATCG-UHFFFAOYSA-N 449.960 4.240 5 20 IIBD CN1Cc2cc(-c3csc(NC(=O)CCc4cccc([N+](=O)[O-])c4)n3)ccc2NC1=O 619464364 ZNZJIIXYRXICAZ-UHFFFAOYSA-N 437.481 4.267 5 20 IIBD Cc1c(NC(=O)CCN2CCO[C@H](c3ccccc3Br)C2)cccc1[N+](=O)[O-] 725808495 KAYSMZKWOPWWCX-IBGZPJMESA-N 448.317 4.068 5 20 IIBD O=C(CCc1nc2cc(Cl)ccc2s1)O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 731520850 NSGBNNHWLJIBRB-MRXNPFEDSA-N 445.884 4.139 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OC1CCN(C(=O)c2ccccc2F)CC1 732606236 VOYOCZPQRFZRKP-CQSZACIVSA-N 432.473 4.063 5 20 IIBD O=C(Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1)c1ccnc(C2CC2)n1 732628552 ZZRCAPBTLRPKII-UHFFFAOYSA-N 429.388 4.255 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 733196131 GVIODOGMNZBHCK-ZNMIVQPWSA-N 431.493 4.036 5 20 IIBD COc1ccc(-c2cc(COC(=O)c3ccc([N+](=O)[O-])cc3Br)on2)cc1 740424039 WSSXNBFKCITAAP-UHFFFAOYSA-N 433.214 4.378 5 20 IIBD COc1ccc(OCCOC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)c([N+](=O)[O-])c1 741820916 PIUDFCCAZFCWDW-UHFFFAOYSA-N 425.393 4.302 5 20 IIBD O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)c1cnn(-c2ccccn2)c1C(F)(F)F 741932576 XSXICLNQKRLJBO-UHFFFAOYSA-N 426.738 4.205 5 20 IIBD CC(C)c1ncc(Cl)c(C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)n1 743608399 ZGZLWKZWOHVGTQ-UHFFFAOYSA-N 444.879 4.262 5 20 IIBD O=C(OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCSc2ccccc21 744116016 GNNKFMXYDPAJAJ-WBVHZDCISA-N 426.494 4.022 5 20 IIBD C[C@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ncc(Cl)cc1Cl 745074705 WGFNNLMHOBSAPB-JTQLQIEISA-N 426.256 4.145 5 20 IIBD CC(C)(C)OC(=O)Nc1cc2c(cc1NC(=O)c1c[nH]c3ccc([N+](=O)[O-])cc13)OCO2 750086971 DOVRKTQGXLQZKL-UHFFFAOYSA-N 440.412 4.404 5 20 IIBD CCCN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CCN(C(=O)c2ccccc2)CC1 751237763 WSRLMWANIAQCES-UHFFFAOYSA-N 429.904 4.405 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 751421350 RUNJXDKSOZDQQX-WOJBJXKFSA-N 442.516 4.470 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nc(-c2ccc(Cl)cc2)n1 751855019 AGWLXQPEPNSOIP-ZDUSSCGKSA-N 440.843 4.198 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1[N+](=O)[O-] 752052686 AHFSPANTMKWQGQ-OAHLLOKOSA-N 448.504 4.219 5 20 IIBD Cc1ccc([C@H](C)NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1[N+](=O)[O-] 752057464 XOPUSTAIFCJSMC-AWEZNQCLSA-N 437.456 4.164 5 20 IIBD C[C@H](C(=O)Oc1ccc(Cc2ccccc2)cc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 753433067 QDBUHSMQTZSNCW-INIZCTEOSA-N 439.489 4.298 5 20 IIBD CCn1ncc(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1-c1ccccc1 755724743 NHQBDXYFCKTCHS-ZDUSSCGKSA-N 442.859 4.316 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 756997730 UNGAFWDGKPYSSM-UHFFFAOYSA-N 442.825 4.195 5 20 IIBD O=C(CCc1cc(Br)cs1)O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 759926120 AHGQZSXYQFHPNB-KGLIPLIRSA-N 428.308 4.275 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(Cl)cc1Br 761281285 DAAMSQMYTITMOD-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H](C)C[C@H](O)c2ccco2)cc1 761858901 AWDQDIUNICHWFJ-LIRRHRJNSA-N 426.425 4.231 5 20 IIBD O=[N+]([O-])c1cccc(Oc2ccc(-c3noc(-c4ccc(-n5ccnc5)nn4)n3)cc2)c1 762310479 ZWXGCPMDXZJNFR-UHFFFAOYSA-N 427.380 4.080 5 20 IIBD CCN(Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c1)C(=O)C(F)(F)F 764192058 JXGPIANXDGEBMH-UHFFFAOYSA-N 429.782 4.411 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C)C(=O)Nc1ncc(Cl)cc1Cl 765528170 UEEZSPZKLVFDTE-DGCLKSJQSA-N 440.283 4.436 5 20 IIBD COc1cc(COC(=O)c2ccc3c(C)nn(-c4ccccc4)c3n2)c([N+](=O)[O-])cc1F 766224100 CHQUJDLUGDEYSG-UHFFFAOYSA-N 436.399 4.142 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@H](CC(=O)OC(C)C)C2)CC1 768488194 IHZLYBULQRVOSG-GOSISDBHSA-N 431.533 4.025 5 20 IIBD Cc1ccc(Cc2nc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cs2)cc1 768657811 NUNKXZFJZOGTGW-UHFFFAOYSA-N 445.884 4.399 5 20 IIBD CN(CCC1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1)C(=O)OC(C)(C)C 769764188 MKLZUTFVMGFDSH-UHFFFAOYSA-N 437.562 4.183 5 20 IIBD CC[C@@H](OC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)c1ccc(NC(C)=O)cc1 770159230 QQQBZVTYCQJNGJ-QGZVFWFLSA-N 449.257 4.134 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCC([C@H](O)c3nccn3C)CC2)cc1[N+](=O)[O-] 772582144 OHHMITDTRSIYLN-FQEVSTJZSA-N 446.573 4.052 5 20 IIBD CN(C)c1ccc(C2CCN(c3ccc(C(=O)c4nccn4C)cc3[N+](=O)[O-])CC2)cc1 775548450 RZDPRIOVYILTNW-UHFFFAOYSA-N 433.512 4.009 5 20 IIBD COCc1nnc(-c2cccc(C(=O)O[C@H](c3cccnc3)c3ccccc3[N+](=O)[O-])c2)o1 776351628 ZOEPXEMYSRYZFC-OAQYLSRUSA-N 446.419 4.133 5 20 IIBD CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 776580365 XGXFXWQHSCGRQB-GOSISDBHSA-N 426.300 4.286 5 20 IIBD CSc1cccc(C(=O)Oc2ccc(-c3noc([C@H]4CCCO4)n3)cc2)c1[N+](=O)[O-] 776828379 ITTLCEVKJGOZIV-OAHLLOKOSA-N 427.438 4.437 5 20 IIBD CSc1cccc(C(=O)O[C@H](C(=O)N2CCc3sccc3C2)C(C)C)c1[N+](=O)[O-] 777074196 QNVUVWLPNCDASI-SFHVURJKSA-N 434.539 4.145 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)CSc2ccncc2)c2ccccc2)c([N+](=O)[O-])c1 779106163 HNDWMSNOEDFMAT-NRFANRHFSA-N 437.477 4.314 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2COCCN2C(=O)OC(C)(C)C)no1 779574742 RTTZFZBCBPSOLW-DOMZBBRYSA-N 436.490 4.140 5 20 IIBD C[C@H](OC(=O)[C@H]1CCC(=O)[C@@H](C)C1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 781321825 YIASMICXMWUYGH-NTZNESFSSA-N 444.406 4.125 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N[C@@H](CCc1ccccc1)C(F)(F)F 781717481 HFCCEQLROIXEEA-KRWDZBQOSA-N 425.363 4.116 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 783019267 DWOLFDMKWAFZBJ-SJORKVTESA-N 432.521 4.105 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 787266448 LCTIUMVPTOLPAI-UHFFFAOYSA-N 445.519 4.498 5 20 IIBD CC(C)([C@H](OC(=O)[C@@H]1CC(=O)c2ccccc21)c1ccc(Br)cc1)[N+](=O)[O-] 789420723 UNHNWIILAOAXCP-SJLPKXTDSA-N 432.270 4.459 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1ccccc1CN(C)c1ccccc1 790171442 SYQQPQOAGSPCHJ-UHFFFAOYSA-N 449.463 4.070 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@H]1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 796973613 QPIRGVWRMZELER-AFAVFJNCSA-N 447.454 4.022 5 20 IIBD CCOC(=O)c1cc(C(=O)OCC(=O)c2cccc(Cl)c2Cl)cc([N+](=O)[O-])c1 801816589 QIRNFCXSILHEDB-UHFFFAOYSA-N 426.208 4.118 5 20 IIBD O=C(CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)NC[C@@H]1CCCS(=O)(=O)C1 807801716 YLEKLZFLMSWLIA-KRWDZBQOSA-N 447.556 4.488 5 20 IIBD COc1cc(/C=C2\C(=O)Nc3cc(Cl)c([N+](=O)[O-])cc32)cc(OC)c1OCC(F)F 809155371 VQCREURULIZJLW-JYOAFUTRSA-N 440.786 4.402 5 20 IIBD C[C@H](C(=O)OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CN(C(=O)OC(C)(C)C)C1 811204771 QKDCBWREOYRXND-JTQLQIEISA-N 433.288 4.448 5 20 IIBD CC1(C)C(=O)Nc2ccc(C(=O)COC(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])cc21 811374036 XZGBQHLHHJQVAX-UHFFFAOYSA-N 437.235 4.171 5 20 IIBD Cc1noc2nc(C(C)C)cc(C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c12 813363968 AKFUZWQAMBQZCT-NSHDSACASA-N 446.847 4.400 5 20 IIBD Cc1cc(Cl)c(C(=O)OCc2cccc(C(=O)NCc3ccco3)c2)cc1[N+](=O)[O-] 815406939 AYLPUGXFMHXSII-UHFFFAOYSA-N 428.828 4.437 5 20 IIBD C[C@H](NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc(F)cc1 815512517 YPHQMWWCJSOJDT-WDEREUQCSA-N 428.338 4.175 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 816998254 HPJXCXJJMZSPJP-WMLDXEAASA-N 435.546 4.178 5 20 IIBD CCN1C(=S)N[C@@H](c2ccc3ncccc3c2)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)=C1C 839457727 YDNFMQOOOLFPRS-NRFANRHFSA-N 447.520 4.307 5 20 IIBD CCOc1ccc(-c2nc(NC(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)sc2C)cc1 915278132 NXPYPWZEANDNSJ-UHFFFAOYSA-N 437.481 4.414 5 20 IIBD O=C(NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1sc2cccc(Cl)c2c1Cl 916786187 MQWLWYBCRACMDX-UHFFFAOYSA-N 445.305 4.376 5 20 IIBD CC[S@](=O)c1ccccc1C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 917511232 HBBKIVXGOQGRIA-HKBQPEDESA-N 438.461 4.194 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccc(O[C@H](C)c2ccccc2)nc1 919215531 POHSXCRIIZKGBD-MRXNPFEDSA-N 435.436 4.234 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(Cn1[nH]c(-c3ccc(Br)cc3)nc1=S)C2 1116145908 PLUPKSUGAALNQB-UHFFFAOYSA-N 432.303 4.252 5 20 IIBD C[C@@H](Oc1cccc(Br)c1)c1nnc(-c2cc3c(c([N+](=O)[O-])c2)OCO3)o1 1261569928 YMGGINUJGHYCLP-SECBINFHSA-N 434.202 4.276 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)/C=C\c1cc(Cl)cc(Cl)c1 1317736818 PHGCZLBTXMFMGJ-UUSYTGMJSA-N 439.251 4.494 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)Nc2cccc(C(N)=O)c2C)cc1[N+](=O)[O-] 1317873771 UBIKOBOXPYDFOV-UHFFFAOYSA-N 449.488 4.207 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C(=O)Nc1ccccc1C(F)(F)F)C(C)C 1321664757 DGZCBDMDDFAOHM-KRWDZBQOSA-N 439.390 4.475 5 20 IIBD Cc1nnc(O)c(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c1C 1322667613 OIQKLZPTZPPDJA-UHFFFAOYSA-N 428.832 4.083 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]3C3CC3)CCC2)cc1 1786205824 RHIDOVAQUDUDAV-BJIJGURPSA-N 435.480 4.381 5 20 IIBD C[C@H]1CCC[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2cccc([N+](=O)[O-])c2)CCC1 1800040989 STWXJHQPOKNLNE-HBFRDEGOSA-N 439.556 4.091 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)C2CC2)[nH]n1)c1cc2cc([N+](=O)[O-])ccc2s1 1821611423 RVMPIHTZHWPXQL-MRXNPFEDSA-N 439.497 4.249 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCCCN2C(=O)c2ccco2)CC1 1825767820 YFRFNFSLEZAARJ-NRFANRHFSA-N 439.512 4.054 5 20 IIBD CC(C)/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cc([N+](=O)[O-])ccc2F)CC1 1832511221 WQUCKRYFMHSGGD-MECCDNJOSA-N 445.535 4.108 5 20 IIBD O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1cc2c(s1)CCCC2 14826558 FSRWWSKJUHLPMJ-UHFFFAOYSA-N 449.535 4.077 5 20 IIBD COC(=O)C1=C(C)N(CCc2cccs2)C(=O)N[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 16064214 NULFPNJEFNANGV-KRWDZBQOSA-N 435.889 4.066 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)OCc2nc3ccccc3c3ccccc23)cc1[N+](=O)[O-] 20057557 QINFRJIHXPQMLF-UHFFFAOYSA-N 436.445 4.057 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 21186987 RIZKINKTUKKUOA-UHFFFAOYSA-N 448.445 4.176 5 20 IIBD COc1ccc(OC)c(NC(=O)[C@@H](C)Sc2nc3cc4ccccc4cc3c(=O)n2C)c1 22253685 ZECKAKZSVDOLBD-CQSZACIVSA-N 449.532 4.223 5 20 IIBD Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])o1 23431881 YMOPNTLJODRUIR-UHFFFAOYSA-N 446.419 4.144 5 20 IIBD COc1cc(CN(C)C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)ccc1OC(F)F 25172020 VBSALUNVVJJWAG-LBPRGKRZSA-N 426.441 4.344 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2ccc(C)cc2Cl)cc1OC 27402262 HUEZQZOHYHFCLZ-LBPRGKRZSA-N 436.848 4.148 5 20 IIBD Cc1ccc(-c2nc(C)sc2CC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 57569227 DERIHIGPPMHBSD-UHFFFAOYSA-N 436.537 4.226 5 20 IIBD CCC(=O)Nc1ccc(NC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cc1 57698096 CZXLDKRVJWOROT-GOSISDBHSA-N 442.472 4.148 5 20 IIBD CN(CC(=O)Nc1cccc(Cl)c1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 64908675 LLJIKRHENJXZQG-UHFFFAOYSA-N 430.873 4.082 5 20 IIBD O=C(NCc1ccc(N2CCCCCC2)nc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 65103052 UJVBRPLYGPZAPC-UHFFFAOYSA-N 437.525 4.424 5 20 IIBD O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCc1ccc([N+](=O)[O-])cc1 71981688 LBWBVDSHAZBVHB-OAQYLSRUSA-N 437.883 4.426 5 20 IIBD CCOc1cc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc(OCC)c1OCC 115168601 PXCNPODTLIOLLY-UHFFFAOYSA-N 440.456 4.433 5 20 IIBD O=C(CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 216806777 LXWGFGYOZDFITN-OAHLLOKOSA-N 430.511 4.069 5 20 IIBD COC(=O)c1ccc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)c1 247994119 OOQHJMXVVWCYHV-UHFFFAOYSA-N 425.363 4.149 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N(C)Cc3c(C)noc3C)c([N+](=O)[O-])c2)c(C)c1 301102926 UITLZPQBRAZCLN-UHFFFAOYSA-N 444.513 4.254 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(CNc3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2)C[C@H](C)O1 301114672 LNNNBNBAPNXWOM-KBPBESRZSA-N 437.418 4.475 5 20 IIBD COc1ccc(CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)cc1Br 301138880 FSVJUHUKXWASHM-UHFFFAOYSA-N 434.290 4.214 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(N[C@@H](Cc3ccccc3)C(=O)Nc3ccccc3)cc2N1 301826620 MZIOGKSKJRSOTP-NRFANRHFSA-N 430.464 4.141 5 20 IIBD C[C@H]1CCCCN1Cc1ccc(CNC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)cc1 427910742 YBIRSYFBQYFOIH-SFHVURJKSA-N 448.523 4.213 5 20 IIBD Cc1ccc(C)c(OC2CCN(C(=O)COc3ccc([N+](=O)[O-])c4cccnc34)CC2)c1 427916785 XDWZIYIPJMOMMT-UHFFFAOYSA-N 435.480 4.209 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H](C(=O)O)c1ccc2ccccc2c1 431875896 QZYQPAGHLIYECK-VWLOTQADSA-N 436.467 4.250 5 20 IIBD O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1cc(Br)cc([N+](=O)[O-])c1 432440251 FUCSFLCFROVUQV-INIZCTEOSA-N 431.246 4.337 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CCC(OCC4CCCC4)CC3)cc2)c(C)c1[N+](=O)[O-] 434157013 JBBMUIGGXIPPOX-UHFFFAOYSA-N 440.544 4.268 5 20 IIBD C[C@H](c1ccccc1Cl)N(C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)C1CC1 435610743 MFSKLRWZCTZFPL-CYBMUJFWSA-N 441.871 4.267 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCC[C@@H](c2nccs2)C1 436418887 YJRZEOLIQYISON-GFCCVEGCSA-N 425.460 4.436 5 20 IIBD CCN(CC)[C@@H]1CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 437187203 XJOLQITYIPFBPF-GOSISDBHSA-N 430.936 4.417 5 20 IIBD CCOc1cc(C(=O)Nc2c(F)cc(Br)cc2F)c([N+](=O)[O-])cc1OC 443880611 PGLPDFIRMJCEPY-UHFFFAOYSA-N 431.189 4.295 5 20 IIBD CC(C)Oc1ccc(NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(Cl)c1 445051384 CKJBHIKRFGZODC-UHFFFAOYSA-N 446.891 4.025 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-c3nccs3)c2)c(Br)c1 446987306 AOGHTZYKAFCDOX-UHFFFAOYSA-N 440.300 4.282 5 20 IIBD C[C@@H](O)CCCNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 447621779 XKEOTAFEZYENMT-OVGFGYAMSA-N 425.510 4.412 5 20 IIBD O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)N1CCOc2ccc([N+](=O)[O-])cc2C1 460151290 OVXGLHJWBKQUPG-GOSISDBHSA-N 433.411 4.178 5 20 IIBD Cc1ccccc1[C@@H]1CN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])[C@@H](C)CO1 460405106 NZWLNYDEFSPODI-LIRRHRJNSA-N 438.402 4.447 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cc(N2CCNC2=O)ccc1Cl 461098090 HZEKNKQCTZHOID-UHFFFAOYSA-N 443.872 4.154 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCOC2(CCCCC2)C1 461343774 UXAGPBZCQXVIPZ-UHFFFAOYSA-N 439.299 4.263 5 20 IIBD COCCOC[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 464414263 IOBGVWUTTUEOLN-OAHLLOKOSA-N 434.876 4.166 5 20 IIBD O=C(Cc1csc2nc(-c3ccccc3)cn12)NCc1ccc([N+](=O)[O-])cc1Cl 466295450 GUCILNDZGXVQNA-UHFFFAOYSA-N 426.885 4.483 5 20 IIBD COC[C@H]1CCCCN(C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 466853858 OPAYYPHNRYIURO-INIZCTEOSA-N 442.537 4.436 5 20 IIBD Cc1ccc(CN(C)Cc2cccc(Br)c2OCC(C)(C)O)cc1[N+](=O)[O-] 467366025 TXZRRJKKFYBXAJ-UHFFFAOYSA-N 437.334 4.447 5 20 IIBD CC(C)[C@H](NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 472639246 NWPNWTIZDBRJHH-INIZCTEOSA-N 427.354 4.205 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1-c1nc(C2CC2)no1 472854447 UQRWKFNZISTPLK-UHFFFAOYSA-N 442.863 4.409 5 20 IIBD Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 472963895 FTDXLNVAPQDQIS-MRXNPFEDSA-N 431.452 4.275 5 20 IIBD Cc1cccc(CC2(O)CCN(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)CC2)c1 474452722 HCEAUMQWNZGIDA-UHFFFAOYSA-N 425.529 4.005 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)on1)c1ccccc1[N+](=O)[O-] 474917659 KFNBUXAWRYGEQH-QGZVFWFLSA-N 441.415 4.202 5 20 IIBD COc1cc(CCNC(=O)Nc2ccccc2N(C)C2CCCC2)c([N+](=O)[O-])cc1OC 475036834 XMLJXMKZRAVYKO-UHFFFAOYSA-N 442.516 4.355 5 20 IIBD CCO[C@H]1C[C@@H](O)C12CCN(C(=O)Nc1cccc(Oc3ccc([N+](=O)[O-])cc3)c1)CC2 480746507 BUCNRBFLVDIKMK-RTWAWAEBSA-N 441.484 4.171 5 20 IIBD CCc1c(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cnn1-c1ccccc1Cl 482802889 TUZFDUUKTFXLPQ-UHFFFAOYSA-N 436.859 4.434 5 20 IIBD CC(=O)CCc1ccc(O[C@H](C)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 486735346 ISDSKSDWVVYZEW-CQSZACIVSA-N 438.402 4.219 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1 486803746 KCQKQYYSLCNQEP-KRWDZBQOSA-N 443.569 4.337 5 20 IIBD C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 486826754 QMHNUJJELRXBRQ-NVTAWBTOSA-N 447.495 4.026 5 20 IIBD CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 487562633 FOKTVJUMLFPGDG-UHFFFAOYSA-N 436.486 4.400 5 20 IIBD O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 488019717 BGSNVRJWLSGSPT-INIZCTEOSA-N 433.867 4.234 5 20 IIBD C[C@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1ccc(NC(=O)NC2CC2)cc1 488393142 FQUDBYGIXHTYTI-AWEZNQCLSA-N 425.489 4.174 5 20 IIBD C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 488509452 DHAYWWJGLOWVGW-QFBILLFUSA-N 431.920 4.044 5 20 IIBD O=[N+]([O-])c1ccn(CCSc2nnc(-c3ccccc3Cl)n2-c2ccccc2)n1 489763822 VLODDWLXZRAFPD-UHFFFAOYSA-N 426.889 4.485 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCC2(c3ccccc3Cl)CC2)ccc1[N+](=O)[O-] 490772676 WYDYOMDZFWTVKX-FQEVSTJZSA-N 441.915 4.009 5 20 IIBD COc1cc(CN2CCO[C@@H](c3ccc(F)c(F)c3)C2)c([N+](=O)[O-])cc1OCC(F)F 491250217 QBFHJIGFZXHSOV-LJQANCHMSA-N 444.381 4.099 5 20 IIBD CS(=O)(=O)c1cccc([C@H](NCc2ccccc2[N+](=O)[O-])c2cc(F)ccc2F)c1 493229378 NCWUDUWCZUZTQB-NRFANRHFSA-N 432.448 4.156 5 20 IIBD CCOc1cc(NC(=O)N[C@H](C)[C@@H]2OCCc3sccc32)c([N+](=O)[O-])cc1OCC 494968191 BOWLPLIHMMYDPD-BLVKFPJESA-N 435.502 4.278 5 20 IIBD COC(=O)[C@@H]1C[C@H](OC)CCN1Cc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 497200429 SBMORSWYMPDEGG-XLIONFOSSA-N 430.526 4.207 5 20 IIBD C[C@H]1CN(Cc2ccccc2NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H](C)O1 497796494 YTSGLLZCXHBGDZ-KBPBESRZSA-N 435.427 4.058 5 20 IIBD CC1(C)CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@@H](c2cccc(C(F)(F)F)c2)O1 497831159 GVYCOJCLWDRAMD-INIZCTEOSA-N 441.381 4.327 5 20 IIBD COc1cccc(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1OC1CCCC1 499261389 JEBBDPPPURWUGX-UHFFFAOYSA-N 436.468 4.041 5 20 IIBD COc1cc(C(=O)N[C@H](C)c2cccc(F)c2F)c([N+](=O)[O-])cc1OCc1cscn1 500508412 PUTGZVIKQRGIIX-LLVKDONJSA-N 449.435 4.408 5 20 IIBD CC[C@H]1C[C@H](C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)CCO1 502936532 UAILXNPMSXGHLS-MSOLQXFVSA-N 443.569 4.173 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(CC)Cc1ccc(C(=O)N(C)C)cc1 503054692 DESFWQQYOUCWPP-UHFFFAOYSA-N 429.542 4.461 5 20 IIBD CCC[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(N2CCCC2)c1 505957377 SLXHHFYQTOIOLE-LJQANCHMSA-N 444.919 4.386 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)c2ncc3c(n2)-c2ccccc2SC3)c1C 508068701 OBBGFECAUDSOIC-UHFFFAOYSA-N 442.522 4.099 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)NC2(c3ccc(Cl)cc3)CCCC2)cc1OC 509085329 YZKIOSFPWGOGKU-UHFFFAOYSA-N 448.903 4.481 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)COc1cccc(NC(=O)c2ccco2)c1 509726764 GQPJOOFGERVYBD-UHFFFAOYSA-N 437.452 4.256 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2cnc(C)s2)c([N+](=O)[O-])c1 511686669 HWWOXDYAYMKSID-UHFFFAOYSA-N 432.527 4.187 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 511720205 KSAFWMVBUMPRLD-INIZCTEOSA-N 434.317 4.385 5 20 IIBD COc1cc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc(Br)c1OC 516098279 JRJLJTLLZJQODI-UHFFFAOYSA-N 435.274 4.179 5 20 IIBD CCNc1ccc(C(=O)NC2(c3cccc(Br)c3)CCOCC2)cc1[N+](=O)[O-] 516263872 KQBXDQWOVCNFQV-UHFFFAOYSA-N 448.317 4.225 5 20 IIBD C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc(NC(=O)c2ccccc2)c1 517359291 MPMOTOQUCRXGFH-AWEZNQCLSA-N 433.420 4.067 5 20 IIBD CC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)CC2)cc1 518250559 DVUXXBOHSQJMDR-UHFFFAOYSA-N 438.480 4.257 5 20 IIBD O=C(N[C@H](c1c(Cl)cccc1Cl)C1CC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 518630849 CCRXWTQKDSANFP-SFHVURJKSA-N 432.267 4.363 5 20 IIBD COc1cccc(NC2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)c1 520657798 XNBOPJQZOQAHFN-UHFFFAOYSA-N 436.415 4.313 5 20 IIBD CSCCc1ccc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 521277758 ZBGFOHYFJYOIFO-UHFFFAOYSA-N 431.333 4.064 5 20 IIBD CC[C@H](C)[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)C(=O)N1CCC(Cc2ccccc2)CC1 521712266 IEHCQBLLBLRGPF-HRAATJIYSA-N 443.569 4.282 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCCCOc1cccc2cccnc12 522647340 IMMQEXXBWWTRNF-UHFFFAOYSA-N 429.860 4.151 5 20 IIBD COc1cc(C(=O)NC(C)(C)c2cccc(F)c2)c([N+](=O)[O-])cc1OCc1cscn1 524239617 BHAIVYPZOCQMGK-UHFFFAOYSA-N 445.472 4.443 5 20 IIBD O=C(NCC1(c2ccccc2Br)CC1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 524952564 HKGINCKXUKZTQE-UHFFFAOYSA-N 442.269 4.073 5 20 IIBD COc1cc(C(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)cc([N+](=O)[O-])c1OC 525626732 UAUFWOYWWWGZQF-OAQYLSRUSA-N 432.436 4.008 5 20 IIBD COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 532890005 OUXRQAHPGPRGSI-LJQANCHMSA-N 449.301 4.187 5 20 IIBD Cc1cc(C(=O)N2CCSCC2)ccc1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 536303064 UUBJNWIABFKXPS-UHFFFAOYSA-N 438.509 4.359 5 20 IIBD CCCNS(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cc1 537147094 XSYSTOIJDMZMFL-UHFFFAOYSA-N 437.543 4.036 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1[C@H]2CC[C@H]1CC(N(C)C(=O)c1ccccc1)C2 538581076 IXZJUVJVYUXEPT-PMACEKPBSA-N 435.524 4.428 5 20 IIBD Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])n2)n1 539800862 LHDSGFDILCKLBM-UHFFFAOYSA-N 434.283 4.072 5 20 IIBD Cc1nn(C)c(C)c1OCC(=O)N(CC(C)C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 540451947 RWRYCZBHWXUQAD-UHFFFAOYSA-N 443.529 4.137 5 20 IIBD CCOC(=O)C1CCN(C(=O)c2ccc(NCc3ccc([N+](=O)[O-])cc3Cl)cc2)CC1 541076425 KRNQVYSNMQMSLN-UHFFFAOYSA-N 445.903 4.276 5 20 IIBD COc1ccc(NC(=O)C(=O)NCC2(c3ccccc3Cl)CCCCC2)cc1[N+](=O)[O-] 543005453 RGGNLMHXISPMRM-UHFFFAOYSA-N 445.903 4.214 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCc1cn2cc(Br)cc(C)c2n1 546148646 OBQTVZLVCAAKRD-UHFFFAOYSA-N 446.305 4.294 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O 548924857 HFMPBZKOUXMLKX-UHFFFAOYSA-N 443.862 4.352 5 20 IIBD COc1cccc(CN(C)[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 552503457 ABJRTEZILRZLOO-AWEZNQCLSA-N 426.498 4.186 5 20 IIBD COc1cc(C(=O)NCCc2ccc(O)nc2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 554685456 KGUDIBAJPCWITA-UHFFFAOYSA-N 443.843 4.122 5 20 IIBD COc1ccc(-c2ccc(C)c(NC(=O)C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)c2)cn1 555279149 FJNHEGQNCXINIK-MRXNPFEDSA-N 448.479 4.098 5 20 IIBD O=C(N[C@H](CCO)c1ccc(Cl)c(Cl)c1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 557597111 YUUNXSGKRGKQBL-MRXNPFEDSA-N 436.251 4.009 5 20 IIBD Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 558742559 AXQANTKIGWZEOT-UHFFFAOYSA-N 438.528 4.482 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 559835715 BZLXJOFZLYIZQF-UHFFFAOYSA-N 426.450 4.033 5 20 IIBD CN(CC(=O)NC(c1ccccc1)c1ccccc1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 561566864 PTDJQCZPOWNWSI-UHFFFAOYSA-N 442.475 4.054 5 20 IIBD CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 572891172 UZFRJCWWIGRIPE-QGZVFWFLSA-N 433.468 4.157 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(-c3cc(F)cc(Br)c3)no2)c1N1CCOCC1 579404758 OBXRGIZMCSCYMG-UHFFFAOYSA-N 449.236 4.050 5 20 IIBD Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] 584189061 IRQVJLXOLYVYQJ-UHFFFAOYSA-N 426.904 4.425 5 20 IIBD COc1cc(CN[C@H]2CC[C@](O)(C(F)(F)F)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 589938968 IAJWXGDTDXPPLP-OXJNMPFZSA-N 440.418 4.118 5 20 IIBD CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 603729630 KSRREMZVIAOQSA-UHFFFAOYSA-N 435.358 4.461 5 20 IIBD COc1ccc([C@H](CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)N2CCCCC2)cc1 604118939 BQGPCRFGXZARDI-VGSWGCGISA-N 426.517 4.191 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C 604457683 PHPUAKAENFTBBZ-CQSZACIVSA-N 445.541 4.193 5 20 IIBD C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 608796737 GKYSWDFYZBTVID-SECBINFHSA-N 430.675 4.241 5 20 IIBD CC(C)N1CCCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 609036523 HOJMBZGUMMZIOD-UHFFFAOYSA-N 430.936 4.417 5 20 IIBD O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1nc(-c2ccccc2)n2c1CCCCC2 609135708 HYGMGOKCIGBYTO-UHFFFAOYSA-N 443.467 4.222 5 20 IIBD O=[N+]([O-])c1ccc(-c2cnn(Cc3noc(Cc4ccc(Br)cc4)n3)c2)cc1 609535738 ZBHOGLKIMYFIDP-UHFFFAOYSA-N 440.257 4.243 5 20 IIBD CCc1c(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2)cnn1-c1cccc(Cl)c1 609838484 ULGHVAYGYCKHSK-UHFFFAOYSA-N 428.832 4.035 5 20 IIBD CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 609853508 MGIWODULEDIQEO-UHFFFAOYSA-N 449.250 4.088 5 20 IIBD O=C(Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c1)c1ccncc1 610038912 AKTZUFFQZCKKOZ-UHFFFAOYSA-N 441.241 4.257 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)Nc1ccc(-c2cc[nH]n2)cc1)c1ccccc1[N+](=O)[O-] 610142945 OURTVXFYANCCDV-LJQANCHMSA-N 437.456 4.189 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCC(c2nc[nH]n2)CC1 610580172 XLZGVQAVRWKZOT-UHFFFAOYSA-N 427.848 4.178 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(-n2cccn2)cc1C(F)(F)F 611158240 JKGJKWANRLBACP-UHFFFAOYSA-N 429.358 4.462 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCC[C@@H](C[C@H]3CCOC3)C2)cc1[N+](=O)[O-])c1ccccn1 611355790 JFTBIPQNCWWELJ-GBESFXJTSA-N 438.528 4.442 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@H]2C[C@@H]2c2cccnc2)c([N+](=O)[O-])c1 619856185 JTKVJUPBQFRWQP-CTNGQTDRSA-N 438.509 4.173 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)no1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 725787942 WQKNAVQXRVNYHX-UHFFFAOYSA-N 436.447 4.170 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)[C@@H]1CCOc2ccccc21)c1cccc([N+](=O)[O-])c1 728188884 RVDVKVJHKRFXMY-GHTZIAJQSA-N 438.480 4.089 5 20 IIBD O=C(C[C@@H](c1ccccc1)C(F)(F)F)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 728770686 VHGRLFQVVLXPKQ-HNNXBMFYSA-N 444.793 4.257 5 20 IIBD CC(C)(C)c1csc(NC(=O)c2ccc(I)c([N+](=O)[O-])c2)n1 730469988 URXWFSAYUVQEKL-UHFFFAOYSA-N 431.255 4.206 5 20 IIBD COc1cc(C(=O)Nc2ccccc2SC(=O)N(C)C)c([N+](=O)[O-])cc1OC(F)F 731415905 YZQUAIBFEZIWHX-UHFFFAOYSA-N 441.412 4.231 5 20 IIBD Cc1ccc(C)c(NC(=O)Cc2nc(COC(=O)c3ccc([N+](=O)[O-])c(F)c3)cs2)c1 731518556 YEZBJLODOIWYHY-UHFFFAOYSA-N 443.456 4.345 5 20 IIBD O=C(O[C@@H](c1cncc(F)c1)C1CCCCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 731774493 LSEIZBYWULDKNQ-HXUWFJFHSA-N 425.420 4.188 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1ccccc1C(=O)N(C)CCc1ccccc1 732096172 YAWUVPAKEQBIGM-UHFFFAOYSA-N 431.492 4.495 5 20 IIBD COc1cc(C(=O)Nc2nc(-c3ccc(F)cc3)ns2)c([N+](=O)[O-])cc1OC(F)F 732942818 UGVAXFZPDACKQQ-UHFFFAOYSA-N 440.359 4.115 5 20 IIBD CC1=C(C(=O)OC(C)C)[C@@H](c2csc(-c3cccc([N+](=O)[O-])c3)n2)NC(=O)N1C1CC1 733121052 IYFGACFTEQDQNN-GOSISDBHSA-N 442.497 4.173 5 20 IIBD O=C(O[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1cc(Cl)cc([N+](=O)[O-])c1 736874010 FAGHPFHSTNCJSA-HNNXBMFYSA-N 428.750 4.229 5 20 IIBD COc1cc(N2CCC(OC(=O)CCC(=O)c3ccc(C)s3)CC2)ccc1[N+](=O)[O-] 739380175 KCFJHFBNKVRWQH-UHFFFAOYSA-N 432.498 4.148 5 20 IIBD C[C@@]1(c2ccc(OC(F)(F)F)cc2)NC(=O)N(Cc2cc(Cl)ccc2[N+](=O)[O-])C1=O 746049913 GGQDIZMFOBEXHY-KRWDZBQOSA-N 443.765 4.114 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)nn1C 749012909 SIKXPPFWRJADDR-UHFFFAOYSA-N 433.512 4.348 5 20 IIBD C[C@@H](C(=O)Nc1ccccc1Cl)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 750617968 ZHPHKLQAHLLSOD-NSHDSACASA-N 438.709 4.396 5 20 IIBD CCCc1nc(C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)nn1-c1ccccc1Cl 751658611 UWYPIYCREVYBGG-UHFFFAOYSA-N 441.831 4.280 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 751663248 DEZHQBXIRNBCFW-GOSISDBHSA-N 427.413 4.045 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N(C)C2CCC(NC(=O)OC(C)(C)C)CC2)c1Br 754051462 PNEJHBOZDJQMCF-UHFFFAOYSA-N 443.342 4.333 5 20 IIBD CCCC(=O)Nc1ccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1 754635067 GOFSWXKIQYVRFO-UHFFFAOYSA-N 438.253 4.165 5 20 IIBD C[C@@H](C(=O)OCC(=O)N[C@@H](c1ccccc1)c1cccs1)c1ccc([N+](=O)[O-])cc1F 755054825 NGFHQHQXSOURLB-SZNDQCEHSA-N 442.468 4.348 5 20 IIBD C[C@@H](OC(=O)C(F)(F)c1c(F)cccc1F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 757829810 UIIYXHSZOAINIY-MRVPVSSYSA-N 434.729 4.189 5 20 IIBD O=C(OC[C@H]1CC12CCOCC2)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 758023648 NEIJJKKHAKBWKB-LLVKDONJSA-N 426.256 4.061 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(F)cc2C(F)(F)F)cc1Br 758509562 HAJOWHYNDFQCAR-UHFFFAOYSA-N 443.172 4.316 5 20 IIBD C[C@H](c1cc2ccccc2o1)N(C)C(=O)COC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 758736919 CJIDBDVVTYUEPU-CQSZACIVSA-N 435.436 4.128 5 20 IIBD Cc1ccc(C(=O)O[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1NC(=O)NC(C)(C)C 759928109 GPONIQDDBBTDBR-ZWKOTPCHSA-N 443.504 4.360 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1cc(Cl)c(N)c(Cl)c1)c1ccccc1[N+](=O)[O-] 763474591 ZEPSIAGCGYTKIS-HNNXBMFYSA-N 440.283 4.297 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N[C@H](C)C[C@H](O)c2ccco2)c([N+](=O)[O-])c1 764166796 QRDDOCLLDSYSEG-VLIAUNLRSA-N 438.436 4.130 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCO[C@@](C)(c3ccccc3)C2)c1=S 765076972 DDULUTXFOYKETK-JOCHJYFZSA-N 439.541 4.214 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(NC[C@@H](O)c2ccc(OC(F)(F)F)cc2)cc1Cl 765479190 BPPMYWRRLUKGNG-OAHLLOKOSA-N 434.754 4.079 5 20 IIBD O=C(NC[C@@H](O)c1cccc(OCc2ccccc2)c1)c1ccc([N+](=O)[O-])c2cccnc12 765864156 RGPHWUZFFYQUAN-HSZRJFAPSA-N 443.459 4.185 5 20 IIBD CC(C)(C)c1ccc2c(c1)CCCN2C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 766037610 GLUVWLPSDOXDQB-UHFFFAOYSA-N 429.904 4.255 5 20 IIBD Cc1nn(Cc2ccc(C(=O)OCc3nnc(-c4ccccc4)s3)cc2)c(C)c1[N+](=O)[O-] 766681436 GHGUFKZTVCQABK-UHFFFAOYSA-N 449.492 4.332 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 767322878 UJAJPHIQEUBTCH-KRWDZBQOSA-N 435.864 4.045 5 20 IIBD CC1CCN(c2ccc(C(=O)O[C@@H](C)C(=O)c3c[nH]c4ncccc34)cc2[N+](=O)[O-])CC1 767484545 VNRWDHVPJQRKDA-HNNXBMFYSA-N 436.468 4.136 5 20 IIBD COc1ccc(NC(=O)CN(Cc2ccccc2)C[C@H](O)c2cccc(C)c2)c([N+](=O)[O-])c1 767909838 AXWLVYMVYNNTRG-DEOSSOPVSA-N 449.507 4.086 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)NNc2c(Cl)cc(F)cc2Cl)c(C(F)(F)F)c1 768047465 CXERBLKJZXZVFD-UHFFFAOYSA-N 448.181 4.365 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 768412079 LFXQGMBPKFZGAP-AWEZNQCLSA-N 440.529 4.059 5 20 IIBD COC(=O)[C@@](C)(NCc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(Br)c1 768542369 VVCOFOVIOVBFRV-KRWDZBQOSA-N 427.682 4.189 5 20 IIBD CCOc1c(Cl)cc(NC(=O)COc2cc([N+](=O)[O-])c(C=O)cc2OC)cc1Cl 768623207 NFNIVHSBXDUVCF-UHFFFAOYSA-N 443.239 4.139 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)cs1 768899323 KEIJEFGPEXXODF-ZDUSSCGKSA-N 435.296 4.084 5 20 IIBD O=C(Nc1ccc(OC(=O)c2ncccc2C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 770608341 SYLMIMAIHPCFIV-UHFFFAOYSA-N 431.326 4.480 5 20 IIBD C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 771984060 BLKICDVYOTXTMI-SJLPKXTDSA-N 434.537 4.005 5 20 IIBD Cc1ccccc1NC(=O)COC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 772171430 MKCHILGQBUKGHV-UHFFFAOYSA-N 428.388 4.196 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)C1(OCc2ccccc2)CCOCC1 772412449 AMRMGIJTTDCPAW-UHFFFAOYSA-N 429.469 4.191 5 20 IIBD CC(C)(C)OC(=O)NC1(CC(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)CCC1 773442271 WHLNYZAYERUAIP-UHFFFAOYSA-N 443.294 4.238 5 20 IIBD COc1cc(COC(=O)c2ccc(-c3cncnc3)cc2F)c([N+](=O)[O-])cc1OC(F)F 775095394 NPPDQDGEPGHBFD-UHFFFAOYSA-N 449.341 4.158 5 20 IIBD CSc1cccc(C(=O)N[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)OCc2ccccc2)c1[N+](=O)[O-] 776874864 OZZZTQZQARAJPV-CPLUKWAASA-N 440.521 4.205 5 20 IIBD O=C(Nc1ccc(OC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)cc1)c1ccsc1 778263844 NIWYYSDNRLNNSS-UHFFFAOYSA-N 426.435 4.133 5 20 IIBD COc1cc([C@@H]2NC(=O)c3sc4ccccc4c3N2)c([N+](=O)[O-])cc1OCC(F)F 778523785 DUZJMHCLVKRCBO-SFHVURJKSA-N 435.408 4.316 5 20 IIBD CCOC(=O)[C@H](NCc1cccc([N+](=O)[O-])c1C)c1ccc(OC)c(Br)c1 779210016 PDIRNURYBGZCFH-GOSISDBHSA-N 437.290 4.068 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccccc1Cl 781259301 DPPXYRWNJIEURQ-CQSZACIVSA-N 434.879 4.369 5 20 IIBD O=C(NN1Cc2ccccc2C1=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 782082498 GLBNOHTUJOVQQI-UHFFFAOYSA-N 436.855 4.161 5 20 IIBD COc1cccc(NC(=O)C2=C(C)N(CC3CC3)C(=O)N[C@H]2c2ccc([N+](=O)[O-])s2)c1 782248764 XZHVKVYJXWACTF-IBGZPJMESA-N 442.497 4.054 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)C(C)(C)c2ccc(Cl)cc2F)c([N+](=O)[O-])c1 789217432 POAAZNKYTPGDBA-LLVKDONJSA-N 438.839 4.244 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 790197330 UYPJMFDTPQMYLA-KBPBESRZSA-N 447.875 4.192 5 20 IIBD Cc1cc(C[C@@H](C)NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])n(-c2ccccc2)n1 790556628 GPOAROSTEJWWIT-CYBMUJFWSA-N 430.867 4.171 5 20 IIBD Cc1c(CNC(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cccc1[N+](=O)[O-] 791019302 XOUJXHDAUYOLTD-UZLBHIALSA-N 427.501 4.422 5 20 IIBD CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 796811992 LDCXTFVXOGNAJG-RBUKOAKNSA-N 441.484 4.268 5 20 IIBD Cc1cc(S(=O)(=O)N2CCCC[C@@H]2c2ncc(-c3ccccc3)[nH]2)cc([N+](=O)[O-])c1F 798221993 DSCVGQUGEWVCPI-GOSISDBHSA-N 444.488 4.348 5 20 IIBD CCOCC1(C(=O)O[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)CC1 799557707 VVXDMDLACPGZKY-SFHVURJKSA-N 432.860 4.288 5 20 IIBD COc1cccc(CN(C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1OCc1ccccc1F 801601413 NWTULMHISNIQPD-JOCHJYFZSA-N 440.471 4.487 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)OC(c2ccccc2F)c2ccccc2F)cc1[N+](=O)[O-] 802110113 AIWXUDISHKXUEO-UHFFFAOYSA-N 447.415 4.223 5 20 IIBD C[S@@](=O)c1ccc(CC(=O)OCc2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)cc1 805893090 MMLWEQXZNSPJKA-SSEXGKCCSA-N 425.462 4.410 5 20 IIBD CC[C@H](c1cccc(OC)c1)N(C)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 808324509 KOFMWEGRXBHRQS-OAHLLOKOSA-N 443.319 4.138 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3COc4ccccc4[C@H]3O)o2)c(Br)c1 808452605 MJIFUVBHZXWTCQ-YLJYHZDGSA-N 445.269 4.202 5 20 IIBD COc1cc(Cl)c(NC(=O)c2ccc(I)c([N+](=O)[O-])c2)cc1C 809357691 DWXKOJJJZBLLFC-UHFFFAOYSA-N 446.628 4.422 5 20 IIBD O=[N+]([O-])c1cc(F)c(S(=O)(=O)N(Cc2ccco2)Cc2cccs2)cc1Cl 809805825 OTZCUTPLYMWLIG-UHFFFAOYSA-N 430.866 4.433 5 20 IIBD Cc1nc(CCCC(=O)OCc2cc(I)cc([N+](=O)[O-])c2)cs1 811039346 UDODHTRBLXZQPW-UHFFFAOYSA-N 446.266 4.030 5 20 IIBD O=C(NC1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1)c1ccc(F)cc1 812890268 BWLPFFLBZZKBDA-UHFFFAOYSA-N 440.258 4.075 5 20 IIBD Cc1nc(COC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cs1 825340595 GVINTBDNZAIBOJ-UHFFFAOYSA-N 429.420 4.338 5 20 IIBD COc1ccc(N2C(=O)/C(=C/Nc3ccc([N+](=O)[O-])cc3)c3ccccc3C2=O)cc1OC 912742334 OTIZVIXGJOXIFV-XSFVSMFZSA-N 445.431 4.252 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc3ccc(C(C)C)cc3[nH]2)c([N+](=O)[O-])c1 914668200 DONCNCWFBBQIRC-CYBMUJFWSA-N 425.441 4.392 5 20 IIBD C[C@@H](c1nn(CN(C)Cc2ccccc2[N+](=O)[O-])c(=S)n1-c1ccc(F)cc1)N(C)C 914783530 PPRLOALFGYYKNI-HNNXBMFYSA-N 444.536 4.163 5 20 IIBD Cc1ccc(-c2nc(C)c(C(=O)OCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)s2)o1 915255615 YMMGYEFVGSPVSG-UHFFFAOYSA-N 426.410 4.335 5 20 IIBD CCOc1cc(NC(=O)NC[C@H]2CCN(c3ccccc3)C2)c([N+](=O)[O-])cc1OCC 915333674 YNUPVCRURTZLPU-MRXNPFEDSA-N 428.489 4.040 5 20 IIBD CCc1c(C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cnn1C 919176735 ZWPCABOWESPUNA-IBGZPJMESA-N 442.859 4.081 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-])c1ccccn1 919762144 VXJRRMFQUSQUCU-HNNXBMFYSA-N 435.440 4.044 5 20 IIBD C[C@@H](OC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O)c1ccccc1[N+](=O)[O-] 920268056 MGQGNFNSYFJFKT-WBMJQRKESA-N 433.258 4.015 5 20 IIBD C[C@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)c1ccccc1[N+](=O)[O-] 920270149 WKSIUVNMVMTDNR-LSDHHAIUSA-N 448.422 4.353 5 20 IIBD Nc1c(C(=O)Nc2cccc(OCc3cccnc3)c2)cc(Br)cc1[N+](=O)[O-] 1116935166 RAVLWMVUUREQQC-UHFFFAOYSA-N 443.257 4.166 5 20 IIBD CCN1CCC[C@@H](CNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 1318054272 JMZPFURMNDZKTC-INIZCTEOSA-N 430.936 4.322 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)C1(c2ccc(C(C)C)cc2)CCC1 1318131188 CZLSAJNVUCNSFH-UHFFFAOYSA-N 426.469 4.330 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc2nc(CN3CCCCC3)[nH]c2c1 1321486800 UQZVCZNCGXGPMF-UHFFFAOYSA-N 432.484 4.050 5 20 IIBD CO[C@@H](C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1)c1ccccc1 1785748563 RCERGKPNRAERQN-OAQYLSRUSA-N 449.463 4.323 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccncc3Cl)CCC2)cc1)c1ccc([N+](=O)[O-])o1 1785750497 JRKXVPJQQMPOIC-UHFFFAOYSA-N 440.843 4.298 5 20 IIBD O=C(Cc1cccnc1)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3F)CCC2)cc1 1788269666 CMBVSTLLUJPPLB-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD Cc1cc[nH]c1C(=O)NC1(c2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2)CCC1 1790696527 FTPQWCSASVRBHG-UHFFFAOYSA-N 436.443 4.432 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3cccc(F)c3[N+](=O)[O-])cc2)CCC1)c1ccccn1 1790698028 JTHSICCBFSYGJG-UHFFFAOYSA-N 434.427 4.190 5 20 IIBD O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCC([C@H]2CCCCN2C(=O)CCC2CCC2)CC1 1824353080 YEMGWZRRJWEXHL-HXUWFJFHSA-N 443.544 4.114 5 20 IIBD Cc1c(C(=O)N2CCCC23CN(C(=O)C24CCC(CC2)CC4)C3)cc(Cl)cc1[N+](=O)[O-] 1845500347 SFFNDYIBUZRKFU-UHFFFAOYSA-N 445.947 4.344 5 20 IIBD C[C@H](OC(=O)c1cc2c(s1)CCC2)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 9069478 ASMBOFSPCPZQBR-NSHDSACASA-N 443.506 4.453 5 20 IIBD C[C@H](OC(=O)[C@@H]1Cc2ccccc2S1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 12994052 XFJUJTLONQVNOD-QFYYESIMSA-N 440.399 4.201 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(F)c1 21753001 OWKSRHOOHDOVKV-NSHDSACASA-N 443.353 4.043 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](NCc1ccc2c(c1)OCO2)c1ccccc1 21818176 KEJBIFHQBIGXRP-OAQYLSRUSA-N 439.855 4.447 5 20 IIBD CC(C)n1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nc2ccccc2c1=O 24288268 VRMGUHYOWJCRKR-UHFFFAOYSA-N 432.889 4.270 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NC[C@H]2Cc3ccccc3O2)c([N+](=O)[O-])c1 25569693 LZLMLPXMZTXLPY-QGZVFWFLSA-N 432.432 4.028 5 20 IIBD CCn1c(SCCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)nnc1-c1ccccc1 26251349 VYCWVYXCCZGCEI-UHFFFAOYSA-N 427.486 4.003 5 20 IIBD Cc1csc(Sc2ccc(C(=O)OCC(=O)N3CCCC[C@H]3C)cc2[N+](=O)[O-])n1 28808023 RXGYTAWIZNEQMI-CYBMUJFWSA-N 435.527 4.069 5 20 IIBD CCOc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 64300521 IUDVIKCGGZGSJL-UHFFFAOYSA-N 441.465 4.047 5 20 IIBD O=C(NCc1ccccc1COCc1ccccc1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc12 78777451 OZLZMJJGULGMJQ-UHFFFAOYSA-N 443.459 4.083 5 20 IIBD CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1cc(F)cc([N+](=O)[O-])c1N 108866439 TWALYHQHWMVEDZ-UHFFFAOYSA-N 425.464 4.191 5 20 IIBD CSc1nc(C2CC2)nc(C)c1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 427606662 MPQROQSAXILRGW-UHFFFAOYSA-N 426.420 4.241 5 20 IIBD C[C@@H]1CCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCS1 427919304 ZFZRBUGZNVNYQA-CYBMUJFWSA-N 431.480 4.184 5 20 IIBD C[C@@H]1CN(c2ccccc2NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H](C)O1 431790314 WXJZMXRFMNSUCE-CHWSQXEVSA-N 434.290 4.223 5 20 IIBD CC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 432068131 UCGBEMVRPBZHSA-UHFFFAOYSA-N 433.667 4.014 5 20 IIBD Cc1ccn(C2CCN(C(=O)CSc3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 434039057 XAFPCTAZDNBFRQ-UHFFFAOYSA-N 428.436 4.074 5 20 IIBD C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 436116530 VTAINNPKVUOGQO-CQSZACIVSA-N 432.451 4.300 5 20 IIBD O=C(Nc1ccc(NC(=O)c2cc(Cl)ccc2O)c(Cl)c1)c1ccc([N+](=O)[O-])[nH]1 436657145 IACIOUDLYQGYBL-UHFFFAOYSA-N 435.223 4.440 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(CCc1ccccc1F)C1CCCC1 437435619 YRXFSLKUBCLPPG-UHFFFAOYSA-N 427.476 4.303 5 20 IIBD CSc1nnc(CN[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)s1 438298914 KVQRVGWJVAXVPZ-MRXNPFEDSA-N 449.945 4.291 5 20 IIBD CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br 440030754 BPVHSPNOILPVDH-HXUWFJFHSA-N 435.318 4.090 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)NC1CC(c2ccc(F)c(Cl)c2)C1 440110508 VGSRLMSNQHIOEJ-UHFFFAOYSA-N 426.231 4.042 5 20 IIBD Cc1nc(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)sc1C 440523140 GRUNYLVMAPEEDH-UHFFFAOYSA-N 447.520 4.380 5 20 IIBD CC(=O)c1ccc(OCc2nc(Cc3cccc(Br)c3)no2)c([N+](=O)[O-])c1 440852065 GZMQKNMJVNMXNX-UHFFFAOYSA-N 432.230 4.113 5 20 IIBD COc1cc(OC)c2cc(CCCNC(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)[nH]c2c1 440957669 MEIIBCIYPSXJTE-CQSZACIVSA-N 426.473 4.086 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)cc1[N+](=O)[O-] 442925984 UJDRZGVPHJLAAO-TZIWHRDSSA-N 446.525 4.158 5 20 IIBD CCc1[nH]nc(C(=O)N[C@H](c2ccc(OC)cc2)c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] 444352076 MOCOPLMGEITOKO-KRWDZBQOSA-N 448.401 4.427 5 20 IIBD CC(C)(C)c1csc(NC(=O)Cc2noc(/C=C\c3ccc(F)cc3[N+](=O)[O-])n2)n1 445426219 IPGTZMWECRDCLD-ALCCZGGFSA-N 431.449 4.223 5 20 IIBD COCCN(C(=O)Cc1ccc(OC)cc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 445564180 FFXICTNACHSKEO-UHFFFAOYSA-N 445.472 4.088 5 20 IIBD CS(=O)(=O)c1ccc(OCCCSc2ccc(Br)cc2[N+](=O)[O-])cc1 447360923 XMEXYFGBTUAKPA-UHFFFAOYSA-N 446.344 4.322 5 20 IIBD Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 463712833 PTDDBVLGYSSIOR-OAHLLOKOSA-N 425.382 4.460 5 20 IIBD CN(C)CCOc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Cl 463729348 SVTWIDROAPCAFQ-UHFFFAOYSA-N 431.798 4.460 5 20 IIBD CO[C@H](C)c1nc(CN2CCCN(C/C(C)=C\c3cccc([N+](=O)[O-])c3)CC2)cs1 470183613 RLUKKMSWVSIHFV-XUDLPTGHSA-N 430.574 4.370 5 20 IIBD CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)Cc1cccc([N+](=O)[O-])c1C 474392104 BBCQVEQFKIPQGK-UHFFFAOYSA-N 427.501 4.098 5 20 IIBD CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 475212233 MINAPFGITMZILE-OLZOCXBDSA-N 430.427 4.162 5 20 IIBD CCN1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@@H]1c1ncc[nH]1 475346730 HRJOSQANDKCZCL-HXUWFJFHSA-N 425.464 4.128 5 20 IIBD CC[C@@H](CCO)CNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 476101279 UNWNFMYADPTUFN-ZDUSSCGKSA-N 431.539 4.494 5 20 IIBD C[C@H]1CCCCN1CCC1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 478641576 RPMQSWWDFRPQEF-IBGZPJMESA-N 428.577 4.312 5 20 IIBD Cc1ccc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1Br 478788195 LEGQWSGRHPSXRU-UHFFFAOYSA-N 436.287 4.039 5 20 IIBD CCCCN1C(=O)C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H]1c1ccc(OC)cc1 481661798 WTYFYQDQAHJHCC-KNQAVFIVSA-N 425.485 4.240 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2c2nc3ccccc3n2C)cc1SC 483641100 IIXJNXBCVREJGT-MRXNPFEDSA-N 426.498 4.189 5 20 IIBD Cc1c(CNC(=O)C(=O)Nc2ccccc2O[C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] 483816311 JMQXHNAEMRIZRV-KRWDZBQOSA-N 433.464 4.298 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCN(C2CC2)c2ccc(F)cc21 484386555 IDOAVEUFSWCRBJ-UHFFFAOYSA-N 439.365 4.304 5 20 IIBD O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1)c1cc([N+](=O)[O-])c[nH]1 484591302 JZOBPEZBFGQWMG-SFHVURJKSA-N 430.917 4.167 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCCc2cccc(F)c2F)cc1[N+](=O)[O-])c1ccccn1 485577615 KEPYVQZWIZDTIJ-CQSZACIVSA-N 426.423 4.414 5 20 IIBD O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 486378318 QAZMHFPGTJBNCM-OAQYLSRUSA-N 431.492 4.178 5 20 IIBD O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCN(Cc2ccncc2)CC1 486859723 YCCZQOPQKLMKFS-UHFFFAOYSA-N 434.521 4.099 5 20 IIBD O=C(COc1cccc(NC(=O)CSc2ccccc2[N+](=O)[O-])c1)Nc1ccccc1 488214654 GHSZGUWHERENMW-UHFFFAOYSA-N 437.477 4.343 5 20 IIBD CC(C)(NC(=O)Nc1ccc2nccnc2c1Br)c1ccc([N+](=O)[O-])cc1 490787443 ACZXNOIRIJWLSN-UHFFFAOYSA-N 430.262 4.357 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 492013171 GIQUFNCTZNZFAO-UHFFFAOYSA-N 446.257 4.123 5 20 IIBD Cc1cccc(COc2ccc(CNC(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)cc2)c1 494170550 DWQVIZCFNZFRKM-UHFFFAOYSA-N 449.511 4.225 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@H](Cc2ccc(Br)cc2)C1 498018810 RZIZAVHBFKLJOK-MRXNPFEDSA-N 433.302 4.217 5 20 IIBD CN(C)C(=O)C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)c2ccc(Cl)cc21 498152823 LORAVPGQBXSVHF-CYBMUJFWSA-N 438.871 4.019 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 499247415 HETYYUZGNQQKJQ-ACJLOTCBSA-N 446.410 4.381 5 20 IIBD CN(CC1CCN(c2ccncc2)CC1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 499428622 WKKTULDKKUJCHB-UHFFFAOYSA-N 437.525 4.102 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)cc1OC 499846241 LOECJOFHOHAZAQ-UHFFFAOYSA-N 441.415 4.259 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@H](c2cccc(F)c2)c2ccccn2)cc1SC 500118126 CWYUBDMDMSHIDI-HXUWFJFHSA-N 427.457 4.379 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(CC)CC(=O)Nc1c(F)cccc1F 502515338 AKNQCPNSSYLAQK-UHFFFAOYSA-N 437.468 4.476 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSCc1ccn(-c2c(F)cccc2F)n1 507589548 ZAXIDFHCNSZHSW-UHFFFAOYSA-N 446.435 4.290 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)c1ccc(F)cc1 509119529 BDHPDNSDGZOPKO-LLVKDONJSA-N 442.228 4.480 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCC1(c2cccc(Cl)c2)CCOCC1 509766953 NIKCSOYWILILRG-UHFFFAOYSA-N 431.920 4.305 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2ccccc2Sc2nncn2C)cc1[N+](=O)[O-] 509878525 GWKBHMIDRMCTPP-UHFFFAOYSA-N 448.302 4.198 5 20 IIBD Cc1cc(Sc2ccccc2)ccc1NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 510266107 BFRWJLLMOPHZDA-UHFFFAOYSA-N 449.488 4.419 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCC[C@H]1c1nnc(C2CCOCC2)o1 510928298 BNWHYMATWKPYOC-IBGZPJMESA-N 430.505 4.386 5 20 IIBD C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)c1cccc([N+](=O)[O-])c1 511608585 FLOBQDNTGPUZLF-CQSZACIVSA-N 443.456 4.449 5 20 IIBD CC(C)n1c([C@@H]2CCCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)nc2ccccc21 512267530 XLUZLVJLWLHYNE-UYAOXDASSA-N 438.528 4.145 5 20 IIBD Cc1cc(C)n2ncc(-c3noc(-c4cc(Br)c(C)c([N+](=O)[O-])c4)n3)c2n1 512312912 KYDVXNWSZDBASY-UHFFFAOYSA-N 429.234 4.042 5 20 IIBD CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 513390499 QHQZUPFTEZDTBD-DOTOQJQBSA-N 445.903 4.417 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1cccc(Cl)c1O 513612918 KDJDNOMQDNYMSX-UHFFFAOYSA-N 432.601 4.119 5 20 IIBD COC(=O)c1cn(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c2ccccc12 514517241 MMGNNWWWKCPDGS-UHFFFAOYSA-N 436.449 4.098 5 20 IIBD CCC(CC)C(=O)N1CCC(N=c2c([N+](=O)[O-])c[nH]c3ccc(Br)cc23)CC1 515502545 FPTFXJMQYKCYOM-UHFFFAOYSA-N 449.349 4.167 5 20 IIBD COc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 517586201 LOKAVBKDYYAFBB-LJQANCHMSA-N 443.525 4.055 5 20 IIBD Cn1c([C@@H]2CCCCN2C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)nc2ccccc21 517668077 YTJBVEBYRDHCLE-NRFANRHFSA-N 430.468 4.035 5 20 IIBD CC(C)C[C@H](CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)N[C@@H](C)c1ccccc1 517713983 JZLAAVBYXPFTNG-GHTZIAJQSA-N 449.555 4.491 5 20 IIBD CNC(=O)Cn1cc(NCc2ccc(Oc3cc(C)ccc3C(C)C)c([N+](=O)[O-])c2)cn1 518784764 SVFJBPDDNIAPMQ-UHFFFAOYSA-N 437.500 4.374 5 20 IIBD CCc1nnc(CN[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)s1 519491356 OVFMHFPFLHAFKH-GOSISDBHSA-N 431.905 4.132 5 20 IIBD O=[N+]([O-])c1cc2c(O)ncnc2cc1N1CCC(Nc2cccc(Br)c2)CC1 519517576 MHRWBRHCXHKHNC-UHFFFAOYSA-N 444.289 4.087 5 20 IIBD O=C1[C@H](Sc2nnc(-c3ccc(OC(F)F)cc3)o2)CCN1c1cccc([N+](=O)[O-])c1 521837448 JSYBBRZHOAEZEO-OAHLLOKOSA-N 448.407 4.144 5 20 IIBD Cn1cc(C(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 522515493 AGCFYZMIIGMNTD-HKBQPEDESA-N 440.525 4.295 5 20 IIBD NC(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Nc2cccc(C(F)(F)F)c2)nc1 524184237 CEYLQUZTADHCON-UHFFFAOYSA-N 445.357 4.103 5 20 IIBD CCN(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)Cc1ccccc1 524606857 MRCBBOKJCSLUCO-QGZVFWFLSA-N 434.334 4.040 5 20 IIBD CN(C(=O)CCc1nnc(-c2ccsc2)o1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 538252698 IZMZPMUKOPRZME-UHFFFAOYSA-N 441.494 4.425 5 20 IIBD COc1ccc([C@@H](C)NCCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1Br 539270006 HEJCALHXKPTNKR-CYBMUJFWSA-N 436.306 4.354 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 539338376 OBRDYYITMBTFSD-IBGZPJMESA-N 443.525 4.143 5 20 IIBD CC(C)[C@H]1C[C@@H](NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCO1 540123654 VBKFOBJGZDHQSJ-QFBILLFUSA-N 443.466 4.150 5 20 IIBD COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])c1 540546292 DOCUHQQHXVLFGY-OAQYLSRUSA-N 447.491 4.487 5 20 IIBD COc1cccc(Oc2ccc(CNC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)cn2)c1 541614213 WKQFXIBPAFKGDP-AWEZNQCLSA-N 425.416 4.350 5 20 IIBD CC(C)Sc1ccc(C(=O)N2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)cc1 541843014 VPKYFTFXXMJAFA-UHFFFAOYSA-N 439.541 4.324 5 20 IIBD NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 542045556 VSZIISBEAVVMDU-CABCVRRESA-N 429.420 4.009 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1noc(C2(c3cccc(Cl)c3)CCOCC2)n1 546382956 DWTUUQIWQFDQOC-UHFFFAOYSA-N 428.876 4.382 5 20 IIBD COc1cc(Cc2noc(CSc3ncnc4sc(C)c(C)c34)n2)ccc1[N+](=O)[O-] 546495109 QZYSKUQJMZKJHV-UHFFFAOYSA-N 443.510 4.491 5 20 IIBD COc1cc(Cc2noc([C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)ccc1C 554789585 CTJIBADLIBCVLF-IBGZPJMESA-N 436.468 4.171 5 20 IIBD COc1ccc(CSCC(=O)N[C@@H]2CC[C@@H](c3ccccc3)C[C@H]2OC)cc1[N+](=O)[O-] 557166669 SSNXZFUSYNKGRA-WOIUINJBSA-N 444.553 4.304 5 20 IIBD C[C@@H](C(=O)N(CCN(C)C)Cc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 558690490 REUWTPQWYRMSCI-OAHLLOKOSA-N 434.334 4.051 5 20 IIBD CCc1nc2cc(CNC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)ccc2n1C1CC1 558825234 KTHSDEAQYACRDG-UHFFFAOYSA-N 430.411 4.373 5 20 IIBD COc1cc(OC)cc(C2(F)CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)CC2)c1 558826260 FECMKJRLVXREAT-UHFFFAOYSA-N 436.867 4.295 5 20 IIBD CC(C)Oc1ccc([C@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)N(C)C)cc1 561653710 UNGQYOHDVVPDHK-QHCPKHFHSA-N 440.544 4.015 5 20 IIBD C[C@H](C(=O)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 564536833 WKEFLKKWEIWGKT-SCLBCKFNSA-N 444.837 4.346 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCO[C@@H](c2ccc(Cl)cc2)C1 574548352 YZJVEWSKPJSEFP-QGZVFWFLSA-N 444.793 4.403 5 20 IIBD CC(C)Oc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)N(C)C)cc1 578789814 OZTFWGQRZOKBBH-SFHVURJKSA-N 437.443 4.016 5 20 IIBD COc1ccc2c(c1)C1(CC1)CN(C(=O)c1ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc1)C2 583056322 HRYQUSHQAIWDRD-UHFFFAOYSA-N 446.507 4.153 5 20 IIBD O=C(N[C@H](c1noc(CCOc2ccc(Cl)cc2[N+](=O)[O-])n1)C1CC1)c1ccccc1 583467098 MKPUXVJJYSYXES-IBGZPJMESA-N 442.859 4.134 5 20 IIBD O=C(Cc1ccccc1[N+](=O)[O-])Nc1cc(-c2nnc3n2CCCCC3)ccc1Cl 591772471 DTKODSTVARVAOK-UHFFFAOYSA-N 425.876 4.414 5 20 IIBD O=C(NCc1ccc(OCc2cccc(F)c2)cc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 603865919 ASDQUPUPWNFXHF-UHFFFAOYSA-N 446.438 4.429 5 20 IIBD C[C@H]1CCCN(S(=O)(=O)c2ccc(CNc3ccc([N+](=O)[O-])c4cccnc34)cc2)C1 603869228 XLRQTUYLGMPXPN-INIZCTEOSA-N 440.525 4.176 5 20 IIBD CCOc1cc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])ccc1OC(F)F 604442253 CRQYURRHLQTVEI-NSHDSACASA-N 444.818 4.332 5 20 IIBD COc1ccc(NC(=O)CCN(C)C[C@H]2CCCO[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 604520804 RIBSAIXIUPZGFG-WZONZLPQSA-N 427.501 4.032 5 20 IIBD COc1cc(C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)c([N+](=O)[O-])cc1OC(F)F 608945495 DBBHOCMHJGFJJF-UHFFFAOYSA-N 438.774 4.296 5 20 IIBD CCC(CC)(CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N[C@@H](C)c1ccccc1 609549979 RENNKGZCNXVMNY-SFHVURJKSA-N 435.528 4.420 5 20 IIBD CCOC(=O)c1cc(S(=O)(=O)Nc2cccc(-c3nccs3)c2)cc([N+](=O)[O-])c1C 609700389 CQGZPTJKXSEUIM-UHFFFAOYSA-N 447.494 4.004 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C1CCN(C(=O)N2CCCC2)CC1 609755101 DJNOYNYCHUFRGU-UHFFFAOYSA-N 438.484 4.253 5 20 IIBD O=C(Cc1noc2ccccc12)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 609817688 WXECHWDOZJTBTA-UHFFFAOYSA-N 429.392 4.363 5 20 IIBD C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 609851689 LLHHQRKASMDERX-DGCLKSJQSA-N 441.340 4.490 5 20 IIBD CN(C)CCN(C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1ccccc1 609856926 FNBZDYISYDGOMJ-UHFFFAOYSA-N 448.310 4.296 5 20 IIBD Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 609979318 AVAJHWPOBPJIMM-YCRPNKLZSA-N 427.526 4.094 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CCN(Cc4ccccc4)C[C@@H]3CO)s2)cc1 610137587 LIEQUOARBFSEAP-OFNKIYASSA-N 437.565 4.296 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCCO[C@@H](c2ccccc2)C1 610262970 PLBHUIGMUAGILP-MRXNPFEDSA-N 431.297 4.054 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCC[C@H]1c1ccccc1Br 611234410 UBEWIDIVDKTPCI-SFHVURJKSA-N 439.331 4.067 5 20 IIBD O=C(O)CN(Cc1cccc(Br)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 618939617 DPTRUVBJGFQCMJ-UHFFFAOYSA-N 442.653 4.129 5 20 IIBD Cc1csc(Oc2ccc(NC(=O)[C@@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)cc2F)n1 619253908 YJNRDEXYDLVYBH-GFCCVEGCSA-N 444.444 4.048 5 20 IIBD COc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)cc1 619478221 QPXUPESVNHKDDT-UHFFFAOYSA-N 442.493 4.003 5 20 IIBD CC(C)[C@H](SCc1ccccc1)C(=O)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 727631721 KUTHJVGWMMPLGX-INIZCTEOSA-N 442.946 4.011 5 20 IIBD COc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)Cc3ccccc32)cc1[N+](=O)[O-] 728005663 XTLZBORJIUKUBS-UHFFFAOYSA-N 427.457 4.001 5 20 IIBD COc1ccc(NC(=O)COC(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 730636529 XUWWSAGLJSJTJX-LLVKDONJSA-N 441.267 4.271 5 20 IIBD CCOc1c(OC)cc(/C=C2/N=C(c3c(Cl)cccc3[N+](=O)[O-])OC2=O)cc1OC 730958605 XPWSXIXXMAAYKV-MDWZMJQESA-N 432.816 4.009 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2cccc(OC3CCCC3)c2)c([N+](=O)[O-])c1 731260847 GPWNNYFTOONOMP-AWEZNQCLSA-N 428.441 4.109 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(-c3ccc4c(c3)CCO4)n2)ccc1Cl 731780283 BPMSUQHMPRYHQS-UHFFFAOYSA-N 431.857 4.046 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(Cc3cccc(Br)c3)no2)ccc1-n1ccnc1 731807416 PEBMOQPLEDTCMV-UHFFFAOYSA-N 426.230 4.184 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O[C@H]1CCN(c2ccccc2Cl)C1=O 732332820 RGPGBCWTSXJTOS-GTNSWQLSSA-N 439.251 4.018 5 20 IIBD COc1ccc(OC(F)F)c(COC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 734324418 AEKNUOHYGTXEAP-SNVBAGLBSA-N 431.775 4.369 5 20 IIBD Cc1c(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1-c1ccc(F)cc1F 735442273 FFBSUNBAFFKEIL-UHFFFAOYSA-N 440.362 4.379 5 20 IIBD COc1cc(N2CCC(OC(=O)Cc3ccc(OCC(C)C)cc3)CC2)ccc1[N+](=O)[O-] 739382449 XWXJLULRVFVLJB-UHFFFAOYSA-N 442.512 4.393 5 20 IIBD Cc1ccc(C(=O)N[C@H](C(=O)OCc2ccc([N+](=O)[O-])cc2Br)C(C)C)cc1 739579423 WCMNSTCOVMJMIZ-SFHVURJKSA-N 449.301 4.164 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 741957318 LGQDUJVNQJFVSJ-VOJFVSQTSA-N 437.861 4.198 5 20 IIBD CCc1nsc(N2CCCN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 743463954 BFRDMMKVCCNBJZ-UHFFFAOYSA-N 435.859 4.398 5 20 IIBD COc1ccc(-c2nc(CC(=O)OCc3ccc([N+](=O)[O-])cc3F)cs2)cc1OC 746934051 HTEPNRYAZSSKCE-UHFFFAOYSA-N 432.429 4.161 5 20 IIBD O=C(COC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)N[C@H](c1ccccc1)C1CC1 747963684 YTTRYYFISWSZBX-HXUWFJFHSA-N 437.477 4.143 5 20 IIBD COc1ccc(C)cc1CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 749409506 CVVURYFYMYALAV-UHFFFAOYSA-N 427.682 4.300 5 20 IIBD Cc1nn(Cc2ccc(C(=O)O[C@@H](C)c3nc4ccccc4n3C)cc2)c(C)c1[N+](=O)[O-] 750199882 DLRRBSIIJKEUCG-INIZCTEOSA-N 433.468 4.261 5 20 IIBD COc1c(Cl)cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cc1Cl 751189464 FNJHBFOEQGYVNA-SECBINFHSA-N 442.230 4.041 5 20 IIBD O=C(COC(=O)c1c(F)ccc([N+](=O)[O-])c1F)Nc1ccc(Oc2ccccc2)cc1 752568332 ZTFHYIINDSWHJE-UHFFFAOYSA-N 428.347 4.461 5 20 IIBD C[C@H](OC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 754800950 WPXCEZFAVWBYDM-LBPRGKRZSA-N 436.346 4.035 5 20 IIBD COc1cc(CCC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)ccc1OCC(F)(F)F 756989231 NTHJBWVDZQPIIR-UHFFFAOYSA-N 446.809 4.447 5 20 IIBD COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 757255694 INYCYIOEEDTAEQ-SFHVURJKSA-N 433.892 4.148 5 20 IIBD CC(C)(C)OC(=O)N1CCC(n2cc(NC(=O)Nc3ccc([N+](=O)[O-])cc3F)cn2)CC1 758384503 OTTOHTYPVGKRPR-UHFFFAOYSA-N 448.455 4.146 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cc([N+](=O)[O-])ccc1Br 760510076 YQBCDFZFDPDQSD-UHFFFAOYSA-N 448.185 4.278 5 20 IIBD O=[N+]([O-])c1ccc(CCc2nc(-c3ccc(OCc4ccccc4)nc3)no2)c([N+](=O)[O-])c1 761813099 REWBTWYBSCCJNN-UHFFFAOYSA-N 447.407 4.312 5 20 IIBD C[C@H](OC(=O)CC1CCSCC1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 762014151 IKDPSTREKXDHHA-LBPRGKRZSA-N 435.527 4.122 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)O[C@@H]3CCO[C@@H](C4CCOCC4)C3)cc2[N+](=O)[O-])C1 763149250 PBBIZTFVBPRHQR-PMTGJVGFSA-N 446.544 4.208 5 20 IIBD C[C@@H](C(=O)OCC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)c1cccc([N+](=O)[O-])c1 763402065 MLLQJETXJSPCKZ-GFCCVEGCSA-N 425.268 4.207 5 20 IIBD Cc1nn(CN2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c2ccc([N+](=O)[O-])cc12 764961591 DFPSYJQSHOXQDC-INIZCTEOSA-N 436.447 4.279 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)c1nc(C2CCCCC2)no1 769905206 GAPBNRYOLNTMPI-NSHDSACASA-N 428.898 4.027 5 20 IIBD O=C(COC(=O)c1c(C(F)(F)F)ccnc1Cl)Nc1cc(Cl)ccc1[N+](=O)[O-] 776469259 QRTBMLQLKWOZJW-UHFFFAOYSA-N 438.145 4.111 5 20 IIBD CSc1cccc(C(=O)O[C@H](C)C(=O)Nc2ccc(Br)cc2)c1[N+](=O)[O-] 777079139 LEXKUHMTRQHOSR-SNVBAGLBSA-N 439.287 4.263 5 20 IIBD Cn1c([C@@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c2ccccc2)nc2ccccc21 777956143 CDLVOLLFYFSORS-FQEVSTJZSA-N 436.418 4.479 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccccc1NC(=O)OCc1ccccc1 781954022 JFCYHKZFUIDEAD-UHFFFAOYSA-N 435.436 4.282 5 20 IIBD CC(=O)Nc1cccc(NC(=O)[C@H](OC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C(C)C)c1 784256703 MFBMWYCLFZEEHE-OAQYLSRUSA-N 441.484 4.497 5 20 IIBD O=C(OCc1nc(Cc2cccc(F)c2)no1)c1ccc2[nH]c3ccccc3c(=O)c2c1 784838362 OFBGISOWFXPIRG-UHFFFAOYSA-N 429.407 4.151 5 20 IIBD O=C(Nc1cc(F)c(N2CCCCC2)c(F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 785101518 HCONKXRUHNRYOS-UHFFFAOYSA-N 438.818 4.094 5 20 IIBD O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c1Br 790484935 VTOQQTDPDLMKEI-UHFFFAOYSA-N 443.172 4.316 5 20 IIBD Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 791521831 TUNWLYNPXQBNSY-UHFFFAOYSA-N 430.804 4.067 5 20 IIBD C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 793598343 NWYKKHICKJXUEG-IFXJQAMLSA-N 447.417 4.292 5 20 IIBD CN(Cc1nc(COc2ccccc2F)no1)c1cc(Br)ccc1[N+](=O)[O-] 795679024 QBSWWVUEYVRPDF-UHFFFAOYSA-N 437.225 4.095 5 20 IIBD C[C@H](Oc1ccc2ccccc2c1)C(=O)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 795720320 PPBMJPAMFOZHGJ-HNNXBMFYSA-N 436.420 4.057 5 20 IIBD O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)N1CCC[C@H]1c1cccc(F)c1 795804407 ZEZYRIKPYKAQHF-AWEZNQCLSA-N 447.257 4.161 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)O[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)c1F 803461951 CFCHZAKYTYPWIU-INIZCTEOSA-N 436.439 4.493 5 20 IIBD CC[C@@H]1[C@H](c2nc(Cc3cc(OC)ccc3[N+](=O)[O-])no2)CCN1C(=O)OC(C)(C)C 810309636 ZMSASJUPFUSBPJ-HZPDHXFCSA-N 432.477 4.080 5 20 IIBD Cc1cccc(Br)c1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 811271462 JIYFLPIXMBSDCW-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 812133333 HZUHTCQTJMZNJL-VSKRKVRLSA-N 433.512 4.272 5 20 IIBD Cc1ccc(N(C)C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c(Br)c1 813311440 QWNKYEQSALOAJP-UHFFFAOYSA-N 448.273 4.017 5 20 IIBD O=C(OCc1cncc(-c2ccsc2)c1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 816255418 UYBAKNMVVVNFHR-INIZCTEOSA-N 443.506 4.128 5 20 IIBD C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 816819267 YVJALCZJSJLTTE-XIKOKIGWSA-N 442.365 4.120 5 20 IIBD COCCOc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2-c2cccs2)cc1C 914872160 IZRDSDCLHWWHLF-UHFFFAOYSA-N 449.506 4.425 5 20 IIBD Cc1onc(-c2ccc(F)cc2)c1C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 914925118 XJZHTHHZFHBDRO-UHFFFAOYSA-N 433.779 4.146 5 20 IIBD C[C@H](OC(=O)CCOc1ccc(F)c(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 915561414 VOPPTOAPZMPHKM-JTQLQIEISA-N 445.230 4.380 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccccc2-n2cc(Br)cn2)cc1[N+](=O)[O-] 915870339 QLBBERDKPJVPGO-UHFFFAOYSA-N 446.217 4.012 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1I)N1CCc2cccc(Cl)c21 916419899 LCFAGIPDRMYXJU-UHFFFAOYSA-N 428.613 4.056 5 20 IIBD CCN(Cc1cccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)c1)C(=O)OC(C)(C)C 918106639 XUIULKDJUOYCGQ-UHFFFAOYSA-N 439.472 4.480 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)CCc1cc(F)ccc1F)c1cccc([N+](=O)[O-])c1 919849556 JFVFWDRAUCSRFQ-IBGZPJMESA-N 446.450 4.434 5 20 IIBD CC(C)[C@H](OC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)C(=O)NC(C)(C)C 920548797 TWMKGXQYQXLWMK-QRWLVFNGSA-N 442.516 4.259 5 20 IIBD Cc1ccc(C2=NN(C(=O)COC(=O)c3cc(C)cc([N+](=O)[O-])c3)[C@@H](c3ccco3)C2)cc1 920901416 SATGRFGCFXWZQN-OAQYLSRUSA-N 447.447 4.339 5 20 IIBD CC1CCN(c2ccc(NC(=O)CCC(=O)N3Cc4ccc([N+](=O)[O-])cc4C3)cc2)CC1 1116149662 UVSJIJUVBBIQRL-UHFFFAOYSA-N 436.512 4.092 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ccc(Br)o1 1320877544 IAVGDEIRYPVSCP-UHFFFAOYSA-N 436.184 4.088 5 20 IIBD Cc1nc([N+](=O)[O-])cn1Cc1nnc(-c2cn(-c3ccccc3)nc2-c2ccccc2)o1 1322113608 DANXAJAWLPZNME-UHFFFAOYSA-N 427.424 4.051 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CC(C)(C)c3c(Cl)cccc32)ccc1[N+](=O)[O-] 1346852355 SGYDJNLLSDWAIR-LJQANCHMSA-N 441.915 4.486 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)c3cncc(F)c3)CCC2)cc1 1785792564 QPWQMUKHFVSTCE-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD Cc1nocc1C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)CCC1 1790621843 BKJGXFVQPWIDGC-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3ccc([N+](=O)[O-])o3)[nH]n2)CCCC1 1814526790 FVTQOYSKMMZQED-LKUPDRCFSA-N 441.488 4.197 5 20 IIBD CC[C@H](C)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(C)c([N+](=O)[O-])c2)[nH]n1 1815045190 KFXLGARFGMDJBQ-HNAYVOBHSA-N 441.532 4.297 5 20 IIBD O=C(c1cccs1)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1824274843 NWAISUDDOHJKMR-IWHGQQBYSA-N 443.525 4.196 5 20 IIBD CC/C=C(\C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830497992 OZRQOKDRQBXWKJ-WZOILOKLSA-N 431.508 4.324 5 20 IIBD C[C@H](NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)cc1 11028604 MKWRPUWIJNLBFU-JTQLQIEISA-N 441.665 4.045 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(Br)ccc1Cl 11481400 ARXVWYDYXMRGFH-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)COc1ccc2ccccc2c1)c1ccccc1[N+](=O)[O-] 12861147 JYYSXGNYTVIODR-OAQYLSRUSA-N 436.464 4.326 5 20 IIBD COCCN(C(=O)[C@@H](C)Oc1ccc(F)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 14790498 MMQNQFIFKRPHNN-CQSZACIVSA-N 445.472 4.304 5 20 IIBD COc1ccc(-c2nc(C(=O)O[C@@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cs2)cc1 19176450 PFCYWCDDJKHJBD-NSHDSACASA-N 445.428 4.050 5 20 IIBD C[C@@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1Br 22547222 ZLEYUPSTZNNDAL-SECBINFHSA-N 427.638 4.195 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCC[C@@H]1c1ccc(Cl)cc1 30365745 LKDSBVGRFGWWAF-QGZVFWFLSA-N 429.860 4.300 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc2nc(/C(Cl)=C/c3cccc([N+](=O)[O-])c3)[nH]c2c1 57457900 AUYGTNWKEIIBMN-WJDWOHSUSA-N 434.905 4.239 5 20 IIBD O=C(Nc1ccc(Cn2cnc3ccccc32)cc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 63992050 CIMDPFKBGLZHCD-UHFFFAOYSA-N 438.447 4.431 5 20 IIBD CC(C)N(C)CC1CCN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 64739236 GPDIGAFNVOYXCQ-GOSISDBHSA-N 439.560 4.355 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2nc3c(s2)CCCCCC3)cc1[N+](=O)[O-] 108878607 KTESCNOWZMBOHK-UHFFFAOYSA-N 444.542 4.242 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(OC[C@@H]2CCCO2)c1 108892106 XKCLZLIQMZTDAT-SFHVURJKSA-N 425.485 4.314 5 20 IIBD Cc1ccccc1CN(Cc1cccnc1)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 109271508 XXHBNAZRZQTQFA-UHFFFAOYSA-N 427.464 4.327 5 20 IIBD COc1ccc(S(=O)(=O)N[C@H](C)c2sc(-c3ccccc3)nc2C)cc1[N+](=O)[O-] 195608487 WXMJBWDGJNNKQT-CYBMUJFWSA-N 433.511 4.075 5 20 IIBD O=C(Nc1ccc(CNc2ncc([N+](=O)[O-])cc2Br)cc1)c1ccncc1 301506820 BONMBKLXIJQOFJ-UHFFFAOYSA-N 428.246 4.012 5 20 IIBD O=[N+]([O-])c1cnc(Sc2nnc(-c3cnccn3)n2-c2ccc(Cl)cc2)c(Cl)c1 301704613 HYJANQYVBQQALP-UHFFFAOYSA-N 446.279 4.486 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N3CC[C@H]4OCCC[C@@H]4C3)c([N+](=O)[O-])c2)c(C)c1 301717056 KPLYXWBTTZOORV-VGOFRKELSA-N 445.541 4.018 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 302597458 BMHNQTMAWCJULG-UHFFFAOYSA-N 443.456 4.002 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2nc3c(s2)C[C@@H](c2ccccc2)CC3)cc1[N+](=O)[O-] 409576065 UFCSJGRMJNCGKH-HNNXBMFYSA-N 429.523 4.433 5 20 IIBD O=C(O)[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1csc(-c2ccc(F)cc2)n1 426730103 JLYSWSAWQYBBGZ-LJQANCHMSA-N 440.456 4.124 5 20 IIBD COc1cc(N[C@H]2CCCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C2)cc(OC)c1 427012156 NBXCAOCZICOCOV-HNNXBMFYSA-N 425.441 4.075 5 20 IIBD Cn1cc(C(=O)Nc2cc(CCc3ccccc3)ccn2)c(-c2ccc([N+](=O)[O-])cc2)n1 427185579 NWWFKXNAVQDUSW-UHFFFAOYSA-N 427.464 4.428 5 20 IIBD COCCN(Cc1cc(Br)cs1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl 427741085 LSHOVQAGYZJTTB-UHFFFAOYSA-N 447.738 4.290 5 20 IIBD CCOc1cc(CS(=O)(=O)Cc2ccc(F)c(Br)c2)ccc1[N+](=O)[O-] 434637064 LGBUBIMHXYCDJJ-UHFFFAOYSA-N 432.267 4.010 5 20 IIBD C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)Cn1cc([N+](=O)[O-])c(C2CC2)n1 436211881 SSWZGJWTGBKLNE-MRXNPFEDSA-N 447.495 4.141 5 20 IIBD CCc1nnc(-c2cccc(NC(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)c2)o1 440618882 WDLJQXWJEPQMGV-UHFFFAOYSA-N 446.467 4.321 5 20 IIBD C[C@H]1CN(CCC2CCN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CC2)C[C@H](C)O1 444165366 HXPDJTJFRGBGJB-OALUTQOASA-N 447.579 4.033 5 20 IIBD CC(C)CCN1CCC(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CC1 444171905 QODNBWFPVYAYEV-UHFFFAOYSA-N 441.522 4.447 5 20 IIBD CCCN(CC(=O)OC(C)(C)C)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444311413 KDQKCVVKLJUCOP-UHFFFAOYSA-N 430.451 4.153 5 20 IIBD O=C(CN[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc21 444801805 MPKXSKYUCOGBNZ-QGZVFWFLSA-N 431.773 4.170 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(-c3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3)n2)s1 445477547 CRQWYBZFCJMZPO-UHFFFAOYSA-N 446.441 4.313 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(-c3ccc(-c4noc(-c5ccc(F)cc5)n4)cc3)n2)n1C 445615668 KYQOXEXIABUZPS-UHFFFAOYSA-N 447.386 4.210 5 20 IIBD CCOC(=O)c1cc(-c2nc(Cn3c(C(C)C)nc4ccccc43)no2)cc([N+](=O)[O-])c1 445654575 BRCRKSSWDZGMAV-UHFFFAOYSA-N 435.440 4.343 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCc2ccc(OC(F)F)cn2)cc1[N+](=O)[O-])c1ccccn1 446579267 BILDQZLDHZCGSB-ZDUSSCGKSA-N 443.410 4.089 5 20 IIBD COc1ccc(C[C@@](C)(N)CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])cc1 447681494 ZZAYLZDHAZQKFT-MRXNPFEDSA-N 434.365 4.025 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@H](c2ccccc2Cl)OC[C@@H]1C 460317688 PEROXCRXWYCDKR-IFXJQAMLSA-N 427.892 4.493 5 20 IIBD COc1cc(C(=O)N[C@H](CO)C2CCCC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 461395605 GZLRZGNWXOIJKR-MRXNPFEDSA-N 434.876 4.330 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 462611584 ATNILJDHEQZRER-GMAHTHKFSA-N 447.539 4.446 5 20 IIBD COc1cc(N2CCC(C(=O)Nc3cccc(Br)c3)CC2)ccc1[N+](=O)[O-] 462800125 CLJUZYCQHQAQJU-UHFFFAOYSA-N 434.290 4.221 5 20 IIBD COc1cc(CN2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OCC(F)F 463198638 ARNDZLOUMGLLBU-JZXOWHBKSA-N 428.476 4.153 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1SCCc2sccc21 463654064 SYUSGGSQQFFMRB-OAHLLOKOSA-N 431.461 4.234 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCOC[C@@H]1c1ccccc1 464690350 MEQOVUBNWVVBNC-GOSISDBHSA-N 447.278 4.301 5 20 IIBD CN(C)c1nccc(CNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])n1 466546735 YTXPNYWJXLGSSN-UHFFFAOYSA-N 443.916 4.185 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 470133306 AVEAOZHKBCELSS-MRXNPFEDSA-N 442.216 4.241 5 20 IIBD CCCOc1ccccc1[C@H](CC(C)C)NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 470772859 MBRDPSYRZVKTDO-SFHVURJKSA-N 441.484 4.195 5 20 IIBD CC(C)n1nc2c(c1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CCC2 471695281 AYLVFMJZUBRRIZ-UHFFFAOYSA-N 425.411 4.320 5 20 IIBD Cc1ccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c(-c2nc(C3CC3)no2)c1 476416226 RKZRZKZLXJVVCE-UHFFFAOYSA-N 434.861 4.285 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1 477827114 GMXUAVISFXIESK-KZULUSFZSA-N 438.267 4.068 5 20 IIBD COc1cc(C(=O)N[C@H](c2ccccc2)c2nc3ccccc3n2C)cc([N+](=O)[O-])c1C 478120882 QIEJOXXBTGLHAW-JOCHJYFZSA-N 430.464 4.318 5 20 IIBD Cc1cccc2c1N(C1CC1)CCN2C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 478699457 ZTUYYBVWJVEBIM-UHFFFAOYSA-N 445.523 4.394 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1cccc(-n2cc(C(F)(F)F)cn2)c1 479573305 JNFLDSLPHIJULU-UHFFFAOYSA-N 446.794 4.254 5 20 IIBD CC[C@H](CN(CC)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccccc1 482258345 BXBLZCGWWUFFLV-QGZVFWFLSA-N 425.485 4.325 5 20 IIBD CC[C@@H](NCCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1cccc([N+](=O)[O-])c1 483656215 PQJQOPZDAZDIHE-LJQANCHMSA-N 437.587 4.114 5 20 IIBD O=C(c1cc2ccccc2c2cccnc12)N1CCN(c2nnc(C(F)(F)F)s2)CC1 485589128 LZWHOTRJZCIJSN-UHFFFAOYSA-N 443.454 4.221 5 20 IIBD CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)c1c(C)cccc1[N+](=O)[O-] 485741466 IPFLHRQIBGEEAV-KRWDZBQOSA-N 435.318 4.433 5 20 IIBD COC(=O)c1cc(NC(=O)N(C)Cc2ccc(Br)s2)c(C)c([N+](=O)[O-])c1 486864673 IZFVKKSRELFOCW-UHFFFAOYSA-N 442.291 4.178 5 20 IIBD CC(C)(C)[C@@H]1C[C@H](Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])CCO1 487076079 QFWVBOZSBYMLFF-UZLBHIALSA-N 433.530 4.401 5 20 IIBD CC(C)c1ccc(-n2cnnc2SCC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 487972720 DMFLLQWDIYFAGK-HNNXBMFYSA-N 425.514 4.268 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCCC(=O)N1Cc2ccccc2C1 488646903 QNSKGTIOCGUNSE-UHFFFAOYSA-N 441.553 4.395 5 20 IIBD Cc1cc(S(=O)(=O)N2C[C@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)ccc1[N+](=O)[O-] 490455274 LEPXEKIIKPXPLO-SCLBCKFNSA-N 444.431 4.073 5 20 IIBD CC[C@H](c1ccccc1)N(CC(=O)OC)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 498093876 DCQSJMSKZWUUHK-JOCHJYFZSA-N 442.515 4.308 5 20 IIBD O=C(NC1(Cc2ccc(F)cc2Br)CCOCC1)c1cccc([N+](=O)[O-])c1 498547797 UXTPPDZAKJEUKS-UHFFFAOYSA-N 437.265 4.018 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(C)C 506622163 ANGUXBWZGZIXCB-FQEVSTJZSA-N 427.501 4.294 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)cc1OC 508235501 JKPWARLXCYEPQY-OAHLLOKOSA-N 438.484 4.207 5 20 IIBD CCOc1ccc([C@H](C)NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1OC 510845630 WPAFMCOLSATFCB-NSHDSACASA-N 425.388 4.486 5 20 IIBD COc1cc(C(=O)NC[C@@H](OCC2CC2)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC 515319022 PZGPHFQJYMCVFE-HXUWFJFHSA-N 434.876 4.163 5 20 IIBD O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)c1cc2cc([N+](=O)[O-])ccc2s1 516376435 CYSCHRBBMKQHLW-GFCCVEGCSA-N 441.292 4.286 5 20 IIBD Cc1ccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c(OCC(=O)N(C)C)c1 516652323 RJHGIEMSOUNUTK-UHFFFAOYSA-N 448.479 4.366 5 20 IIBD CCOc1ccc(NC(=O)CNc2cc(Cl)ccc2OC[C@@H]2CCCO2)c([N+](=O)[O-])c1 516819048 JZNHZYQHGMTNMZ-INIZCTEOSA-N 449.891 4.255 5 20 IIBD COC(=O)c1ccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c(OC(F)F)c1 518401614 LVPIRZPLSHCWQP-UHFFFAOYSA-N 449.391 4.359 5 20 IIBD CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 518474024 YRVQYPXYGUAZES-WMZOPIPTSA-N 435.267 4.042 5 20 IIBD CC(C)CNC(=O)c1ccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1Cl 518658623 MJFJILFTUMUMGU-UHFFFAOYSA-N 446.312 4.088 5 20 IIBD CN(CCCCCc1cc(-c2ccccc2)n[nH]1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 520156651 VVBXJKIJRYBWKR-UHFFFAOYSA-N 446.504 4.158 5 20 IIBD CCCCNC(=O)Cc1noc(-c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)n1 520279085 WVFNGNXMEGQQPV-UHFFFAOYSA-N 443.891 4.369 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCc3cc(F)cc4c3OCOC4)cc2[N+](=O)[O-])C1 523268892 WHARALVSKNMDRQ-GJZGRUSLSA-N 443.475 4.013 5 20 IIBD O=C(Nc1ccccc1NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1cccs1 524211546 XKWLLGIPSBFVQF-UHFFFAOYSA-N 434.433 4.415 5 20 IIBD CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 535398834 KSKJJXHQMXXIDX-UHFFFAOYSA-N 428.876 4.391 5 20 IIBD Cc1cc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)ccc1[N+](=O)[O-] 537446615 SJYWGFBBJVDFBJ-UHFFFAOYSA-N 425.754 4.408 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC=C(c2ccc3c(c2)OCCO3)CC1 537764787 TYJIBPNXXLJUQA-UHFFFAOYSA-N 445.269 4.058 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 538255011 YWPFMBNMGAWARN-UWJYYQICSA-N 443.569 4.115 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1 540513221 AAWRDIXCUFFRNK-UHFFFAOYSA-N 435.436 4.263 5 20 IIBD Cc1cc(NC(=O)c2nn(-c3ccccc3C(F)(F)F)c(C)cc2=O)ccc1[N+](=O)[O-] 540749684 NDGDHTNRETXWNY-UHFFFAOYSA-N 432.358 4.029 5 20 IIBD Cc1ccc(Nc2nc(Cn3cc([N+](=O)[O-])c(C)c(Br)c3=O)cs2)cc1 541284980 AEDKBTCCTNMKEE-UHFFFAOYSA-N 435.303 4.384 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@H](c1ccccc1Cl)C(C)C 542256640 VQMXEHLLICMDJJ-SFHVURJKSA-N 440.905 4.053 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CC[C@@H](C(C)(C)C)C3)cc2)cc1[N+](=O)[O-] 542417171 NPLUOMASPKVBIM-QGZVFWFLSA-N 445.541 4.212 5 20 IIBD Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1 544809026 DQBOWOFYCZTSQT-UHFFFAOYSA-N 425.150 4.072 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)c2ncccc12 545920740 SPFAKSMAQXIRMR-IBGZPJMESA-N 443.481 4.412 5 20 IIBD CCc1cccc2c(Cc3noc(CSc4ccc(C(N)=O)cc4[N+](=O)[O-])n3)c[nH]c12 546399611 IETQEVYLFWBMKU-UHFFFAOYSA-N 437.481 4.004 5 20 IIBD O=C(c1ccccc1)N1CCC[C@H](c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)C1 546489964 OKVBUCSHQWBZDD-INIZCTEOSA-N 431.452 4.070 5 20 IIBD COc1ccc(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1OC 550782715 RTGPVHNGQHEXDA-UHFFFAOYSA-N 426.391 4.338 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CN[C@H](c2ccccc2)[C@@H]2CCCO2)c1 554969521 NUDCHOBYWFRJCM-ZWKOTPCHSA-N 438.265 4.209 5 20 IIBD CC1(C)CN(Cc2ccccc2)CC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 558738230 SISLFOHDNVNDFM-FQEVSTJZSA-N 430.936 4.077 5 20 IIBD CSc1cccnc1-c1noc(-c2cc(I)cc([N+](=O)[O-])c2)n1 566953563 XNFDWRZCBLWKSG-UHFFFAOYSA-N 440.222 4.033 5 20 IIBD C[C@@H](NCCOc1ccc(S(C)(=O)=O)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 567535018 SVRWNDLTOOPFNJ-OAHLLOKOSA-N 446.550 4.456 5 20 IIBD O=C(NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 579296993 ZYJKVOKWVLIEJI-UHFFFAOYSA-N 445.357 4.161 5 20 IIBD COc1cc(C(=O)N2CCC[C@@H](CO)CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 581212197 QCPBSLDWYPSYKA-CQSZACIVSA-N 434.876 4.284 5 20 IIBD CCOc1ccc(CN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C(C)C)cc1 603529099 IYVCTURCTKFOMA-UHFFFAOYSA-N 441.484 4.119 5 20 IIBD Cc1sc2nc(CS[C@@H](C)C(=O)N(C)Cc3ccccc3[N+](=O)[O-])nc(O)c2c1C 603569769 PQYZHPPGDWYQCE-ZDUSSCGKSA-N 446.554 4.202 5 20 IIBD CC(C)(C)c1nc(CN2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC2)cs1 603908200 AJQNLHDRSXJZBV-UHFFFAOYSA-N 428.514 4.053 5 20 IIBD CCCCc1c(C)nc2nc(SCc3nc(-c4ccc([N+](=O)[O-])cc4)no3)nn2c1C 603917804 DCORTFCHFUGLTF-UHFFFAOYSA-N 439.501 4.334 5 20 IIBD COc1ccc(CNC(=O)Nc2ccc(F)c(NC(=O)c3ccoc3C)c2)cc1[N+](=O)[O-] 604084486 ZQNJRGWGIPFIMZ-UHFFFAOYSA-N 442.403 4.218 5 20 IIBD COc1ccc([C@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c2ccccc2)cc1 604469342 JSZMZCLIKIJQRN-HSZRJFAPSA-N 428.448 4.309 5 20 IIBD Cc1nnc(Sc2ccc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)c(C)c2)s1 608943544 LCCKBIWLHXMVDN-UHFFFAOYSA-N 444.494 4.238 5 20 IIBD Cc1ccc(NC(=O)NC[C@H]2CCCN(CCCOc3ccc([N+](=O)[O-])cc3)C2)cc1 609040530 UIBLXBZURKQHBJ-LJQANCHMSA-N 426.517 4.206 5 20 IIBD CC[C@H](C)[C@H](C)N(C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C1CC1 609189971 HZIFKBHDVYDGAM-HOTGVXAUSA-N 445.541 4.435 5 20 IIBD CS[C@@H]1CCC[C@H](NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)C1 609764293 KELGJGOSXDJKHM-DLBZAZTESA-N 441.553 4.296 5 20 IIBD CN1CCC(O)(CNCc2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)CC1 610137606 OSHBSKCYVDJBBV-UHFFFAOYSA-N 427.545 4.231 5 20 IIBD C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N(C)c2cccc([N+](=O)[O-])c2)cc1 611090750 QHCUPOIPBIHAQH-IRXDYDNUSA-N 425.485 4.040 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)s1 611280681 QALKPYSEJTVXJL-BQBZGAKWSA-N 440.387 4.381 5 20 IIBD COC(=O)c1cc(NC(=O)NCc2ccnc(Oc3ccccc3)c2)c(C)c([N+](=O)[O-])c1 617018036 ALBUTFGKZCILDF-UHFFFAOYSA-N 436.424 4.199 5 20 IIBD Cc1cccc(N(C)C(=O)c2ccc(OS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)c1 727089734 AZIGWKPCAZDWER-UHFFFAOYSA-N 440.477 4.256 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC[C@H](c3ccccc3)CC2)c(S(=O)(=O)N2CCCC2)c1 727433064 WIUZVXYXOBLZMV-IBGZPJMESA-N 429.542 4.153 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)CCn1c(=O)oc2cc(Cl)ccc21 729116566 CCMUPOADGZGZMQ-UHFFFAOYSA-N 434.832 4.077 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C1CCCCC1 732019829 MMNQLYIFUUSQHU-MRXNPFEDSA-N 427.448 4.076 5 20 IIBD CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2C1 732027448 MBJFWPZGFOYIDW-UHFFFAOYSA-N 442.428 4.049 5 20 IIBD Cc1ccc(C(=O)OCC(=O)Nc2cccc(CSc3ccccn3)c2)cc1[N+](=O)[O-] 733383700 KZUOOARQZPJOSV-UHFFFAOYSA-N 437.477 4.386 5 20 IIBD O=C(O[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1c(Cl)cccc1[N+](=O)[O-] 733491681 PCQGKVLJERNFIA-AWEZNQCLSA-N 428.750 4.229 5 20 IIBD O=C(O[C@@H]1CCCN(c2cccc(F)c2)C1=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 734581581 KPWSPLSHXJGINM-GOSISDBHSA-N 441.440 4.210 5 20 IIBD O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1 735025925 AISAMVRERLMFQW-NDEPHWFRSA-N 440.518 4.116 5 20 IIBD CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Oc1cc([N+](=O)[O-])c(Cl)cc1C 735643947 KFMDTHIMWMCRSC-DJJJIMSYSA-N 430.888 4.462 5 20 IIBD Cc1ccccc1[C@H](C)NC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1Br 740423229 QJMIRWWAXCJSOI-STQMWFEESA-N 435.274 4.088 5 20 IIBD CC(C)CC(=O)N[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 740579026 ALISEQYWRKPSJW-IBGZPJMESA-N 449.301 4.304 5 20 IIBD C[C@H]1CN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C 740870822 JFDSCUORDNSGSM-JQWIXIFHSA-N 448.398 4.261 5 20 IIBD COc1c([N+](=O)[O-])cc(NC[C@@H](C)Oc2cccc(F)c2)c([N+](=O)[O-])c1Br 742419375 FKSRAUXUYCFWGO-SECBINFHSA-N 444.213 4.293 5 20 IIBD CC(C)n1cc(Br)cc1C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 745459455 BBBDYQDAMZGHEP-UHFFFAOYSA-N 444.669 4.189 5 20 IIBD COc1ccc(N(CC(C)C)S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)cc1 745834324 OMKVVIWGSZDRBQ-UHFFFAOYSA-N 443.319 4.217 5 20 IIBD O=C(Cn1c(S)nc2ccccc2c1=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 746689986 VFXXZRMAPULEKC-UHFFFAOYSA-N 448.460 4.024 5 20 IIBD COc1ccc(NC(=O)c2nnc(/C(Cl)=C/c3ccc([N+](=O)[O-])c(O)c3)s2)cc1 748146726 LTJBZGMIWLGIEQ-JYRVWZFOSA-N 432.845 4.150 5 20 IIBD Cc1ccccc1[C@H](CC(=O)Oc1ccc(Cc2ccccc2)cc1[N+](=O)[O-])NC(N)=O 749062394 OCKOGENIPACXNW-FQEVSTJZSA-N 433.464 4.199 5 20 IIBD COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 749660418 AMYDXQGDYDSDSS-RCZVLFRGSA-N 434.492 4.293 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 752022197 BOLNKQJFZYZCBW-HSZRJFAPSA-N 447.532 4.002 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1Br 754041436 AGRMYWVANFWCOJ-UHFFFAOYSA-N 437.250 4.017 5 20 IIBD Cc1ccc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(Br)c1 754972241 UMWSGSXPZDLXJI-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD CC(C)[C@H](OC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)N1CCc2ccccc2C1 754987119 ILRJGJCGEXMQHG-IBGZPJMESA-N 434.851 4.154 5 20 IIBD CCOc1cc(C(=O)O[C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC 755864578 DPLKAHBLZGRXAB-AEFFLSMTSA-N 428.485 4.070 5 20 IIBD CC(C)(C(=O)NCCc1ccc(Br)cc1F)c1ccc([N+](=O)[O-])cc1F 762446870 AQRBNYOAYOLBNF-UHFFFAOYSA-N 427.245 4.272 5 20 IIBD C[C@@H](Cc1ccc(Br)cc1)C(=O)O[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 766236807 KDALLKVLUIQPFQ-STQMWFEESA-N 435.274 4.106 5 20 IIBD COc1cccc(C(=O)Nc2cccc(C)c2C(=O)NCCc2ccccc2)c1[N+](=O)[O-] 766522861 PDHPPGLESAICII-UHFFFAOYSA-N 433.464 4.137 5 20 IIBD Cc1cc(-c2noc(COC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)ccc1F 767311353 JKHMRBZWPKKFNH-LLVKDONJSA-N 435.795 4.256 5 20 IIBD CC(=O)[C@@H](Cc1ccc(F)c(F)c1F)OC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 768697661 WSXWUDVJSOHAPV-MRXNPFEDSA-N 445.777 4.178 5 20 IIBD O=C(Nc1cc(Cl)ccc1O)C1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 768716008 IOHXOTNUQBAWCH-UHFFFAOYSA-N 438.267 4.098 5 20 IIBD CN(C[C@H]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1)C(=O)OC(C)(C)C 769332178 IKANUJZXZRVNFV-CQSZACIVSA-N 428.327 4.046 5 20 IIBD COc1ccc(OC)c([C@H]2C[C@H]2C(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)c1 773466817 HCBQEIORDMPNLW-UKRRQHHQSA-N 436.258 4.221 5 20 IIBD Cn1cnc2cc(C(=O)O[C@@H](c3ccc(Br)cc3)C(C)(C)[N+](=O)[O-])ccc21 774373701 PITMHQXHYBYJJX-KRWDZBQOSA-N 432.274 4.289 5 20 IIBD CN(C(=O)COC(=O)c1occc1CSc1ccccc1)c1ccc([N+](=O)[O-])cc1 774415532 ZWGGOMRYKPBTRT-UHFFFAOYSA-N 426.450 4.300 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C(=O)OCc2ccccc2)C(C)(C)C)cc1SC 777260272 ZJOTYNUCKLDMAP-LJQANCHMSA-N 446.525 4.213 5 20 IIBD COc1ccc(CSCC(=O)OCc2ccc([N+](=O)[O-])cc2Cl)cc1[N+](=O)[O-] 778087356 ILTWWGQSKCELNI-UHFFFAOYSA-N 426.834 4.142 5 20 IIBD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nn1-c1ccc(Cl)cc1 778145968 FZVIJEPYBLCOLP-GFCCVEGCSA-N 446.822 4.065 5 20 IIBD CC(C)(C)OC(=O)NC[C@](C)(NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C1CC1 780639526 KLGLIOMPPLFZOW-VWLOTQADSA-N 435.524 4.105 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)cc1[N+](=O)[O-] 781199567 AYFRMYQYRDGECZ-AWEZNQCLSA-N 449.288 4.446 5 20 IIBD O=C(COC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)Nc1ccc(N2CCCC2)cc1 781259476 FBEPXDBTINMKMZ-UHFFFAOYSA-N 441.487 4.077 5 20 IIBD CC(C)[C@H](CNC(=O)COC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccccc1 781260819 ZXDMSQXMOZCBDY-QFIPXVFZSA-N 442.515 4.394 5 20 IIBD O=C(OCc1nc(-c2ccc(Cl)cc2)no1)c1cccc([N+](=O)[O-])c1Br 781674755 KJFZPDLJTKYWNX-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD Cc1cc(-c2noc([C@H](C)OC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)ccc1F 781734327 CLGAOBMNYUFWSF-LBPRGKRZSA-N 444.375 4.238 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 782831709 XJFJYYSLDJBNSS-FQEVSTJZSA-N 449.429 4.428 5 20 IIBD COc1cc(Br)ccc1CCCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] 784442307 JHFDEEGARTUNMK-UHFFFAOYSA-N 427.682 4.382 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)NC[C@@H](c2ccccc2)C(C)C)cc1[N+](=O)[O-] 784636854 DRPGHEHPBHLOPX-OAHLLOKOSA-N 448.317 4.160 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)OCc1cccc(C(=O)NCc2ccco2)c1 785949698 UJUNCXSBNFPHLQ-UHFFFAOYSA-N 428.828 4.057 5 20 IIBD O=C(Cc1csc(-c2cccnc2)n1)O[C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 787028537 XZOFSGQXPFYTRX-KRWDZBQOSA-N 442.472 4.007 5 20 IIBD O=C(O[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1cc([N+](=O)[O-])cc(Cl)c1F 787792512 BWNSTPHWGVTURT-INIZCTEOSA-N 442.777 4.014 5 20 IIBD CCc1ccccc1NC(=O)[C@@H](C)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 792892627 QTMMDXWFUVBZRJ-CYBMUJFWSA-N 432.318 4.305 5 20 IIBD Cc1ccc([C@@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])c2ccccn2)cc1 795208268 HBDKVLFXNAUXKU-LJQANCHMSA-N 433.436 4.496 5 20 IIBD CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 799375027 VTNNBXUMOCJEGD-ZDUSSCGKSA-N 426.901 4.407 5 20 IIBD Cc1sc(Br)c(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1C 799544364 NLOAEXQXJGNWGZ-VIFPVBQESA-N 427.276 4.220 5 20 IIBD C[C@H](OC(=O)Cc1coc2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 803722815 FSIRQWJWPAUHNO-NSHDSACASA-N 436.342 4.473 5 20 IIBD CCCCNC(=O)OC[C@H]1CCCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 804227938 ANXVGSUSYOCFOK-QGZVFWFLSA-N 446.529 4.239 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCc1cc(F)c(F)cc1Br 804822491 UWHJIEKCXKPEJY-UHFFFAOYSA-N 428.189 4.204 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N(C)c3ccc([N+](=O)[O-])nc3)cc2[N+](=O)[O-])n1 808795293 SRYVMGIASPNGQV-UHFFFAOYSA-N 431.455 4.091 5 20 IIBD CCOC(=O)Nc1cccc(OS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)c1 809805347 WHXNZEMFGJFDNL-UHFFFAOYSA-N 435.241 4.238 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 810317203 JKUCYYYLYCSFEW-SFHVURJKSA-N 440.500 4.328 5 20 IIBD O=C(CCc1nnc(C2CCCC2)o1)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811216277 KJWKJOQYGYLWNO-UHFFFAOYSA-N 428.470 4.435 5 20 IIBD CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 811375478 ZXAAASQTBXBTKM-SNVBAGLBSA-N 425.224 4.288 5 20 IIBD O=C(CC1CCCCC1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 812959853 UGFJDZDCEWXQLF-UHFFFAOYSA-N 428.316 4.156 5 20 IIBD COc1cccc(C2(NC(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])CCOCC2)c1F 813234284 MQMGHHYLFDYHAX-UHFFFAOYSA-N 443.258 4.485 5 20 IIBD Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)c3ccccc32)cc([N+](=O)[O-])cc1[N+](=O)[O-] 813278449 JIQDTIGRRUSCCQ-UHFFFAOYSA-N 442.428 4.213 5 20 IIBD O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CCC2(CC1)OCCCO2 818379574 FYNZWPOGGODWRA-UHFFFAOYSA-N 445.903 4.230 5 20 IIBD COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c1 819909711 FZODICYRFPCXJQ-UHFFFAOYSA-N 429.436 4.291 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2c(=O)n(CCc3ccccc3)c(S)nc2c1 842995104 RLTCPAUEFLACGA-UHFFFAOYSA-N 446.488 4.088 5 20 IIBD COc1ccc(-c2noc(CCCC(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)n2)cc1 915068197 SZRBXENIWCNZRK-UHFFFAOYSA-N 444.875 4.288 5 20 IIBD O=C(Nc1ccccc1OC1CCCC1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 916490305 AZPFPZPBNFFGIY-CQSZACIVSA-N 427.432 4.047 5 20 IIBD CCOc1ccc(C(=O)OCc2nnc(-c3ccccc3Br)o2)cc1[N+](=O)[O-] 916655395 GBBPKCGNZQRJML-UHFFFAOYSA-N 448.229 4.163 5 20 IIBD COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)N[C@H]1c1ccccc1[N+](=O)[O-] 918097777 VVTCDAZIQAMBEB-KRWDZBQOSA-N 446.257 4.075 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 918190892 SLKYHUYALYJIAB-QGZVFWFLSA-N 439.468 4.326 5 20 IIBD CCOc1ccc(CCC2CCN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])CC2)cc1 918194403 ODBOLENQCYHOOJ-UHFFFAOYSA-N 436.505 4.166 5 20 IIBD Nc1c(C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)cc(Br)cc1[N+](=O)[O-] 1116948839 QEWAKECCINDFIH-UHFFFAOYSA-N 436.653 4.031 5 20 IIBD O=C(Nc1nc(-c2c[nH]c3ccccc23)cs1)c1cccc([N+](=O)[O-])c1N1CCOCC1 1320656338 AJOBYBFXOKNGKK-UHFFFAOYSA-N 449.492 4.289 5 20 IIBD COc1cc(Cc2noc(C3(c4ccccc4OC)CCC3)n2)c([N+](=O)[O-])c(OC)c1 1322066727 GTIRGPNIULZLJN-UHFFFAOYSA-N 425.441 4.064 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@@H]3CCCS3)CCC2)cc1)c1ccc([N+](=O)[O-])cc1F 1790625306 ZTWZVGJOJPGEQY-IBGZPJMESA-N 443.500 4.377 5 20 IIBD C[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1 1800530344 KXHYTPFVTUTOQF-OQIJWPOYSA-N 439.487 4.180 5 20 IIBD C/C=C/C(=O)N[C@H]1CCc2nc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)sc2C1 1824425235 QPUFRRHOVIOBLJ-JDGPPOGSSA-N 442.522 4.068 5 20 IIBD CC1(C)CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(F)c3[N+](=O)[O-])CC2)C1 1831930986 LGFIVGUBJMPJKF-FQEVSTJZSA-N 445.535 4.403 5 20 IIBD CC/C=C(\C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 1832520812 YPPFFEFXFWKSAO-QEQOENRNSA-N 445.535 4.252 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccccc1C(=O)c1ccccc1 3504387 ZCZBCSYYHKNGCU-HNNXBMFYSA-N 448.431 4.018 5 20 IIBD COc1ccc(C(=O)OCc2csc(N(C(C)=O)c3ccccc3F)n2)cc1[N+](=O)[O-] 11341809 AKXCOTNBKXTKIA-UHFFFAOYSA-N 445.428 4.241 5 20 IIBD Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 11356882 GBHHUOUTGJLUEM-UHFFFAOYSA-N 429.816 4.031 5 20 IIBD CN(c1ccc(OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1)S(=O)(=O)c1cccs1 15965623 UPIGUPHUHISHBX-AWNIVKPZSA-N 444.490 4.100 5 20 IIBD Cc1cccc(-c2nc(CC(=O)O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)cs2)c1 17229610 PUJKWQSLOHILIB-AWEZNQCLSA-N 425.466 4.140 5 20 IIBD CCOc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc3ccccc3c2)c([N+](=O)[O-])cc1OC 19473585 GQEYUFYYZKRCTI-CQSZACIVSA-N 438.436 4.339 5 20 IIBD O=[N+]([O-])c1ccc(N2CCN(c3ncnc4scc(-c5ccc(F)cc5)c34)CC2)cn1 25569498 CWCSKQALGJMOLX-UHFFFAOYSA-N 436.472 4.127 5 20 IIBD O=[N+]([O-])c1ccc(OCc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)c(Cl)c1 59927167 MMXSJZAOAHNILG-UHFFFAOYSA-N 434.161 4.475 5 20 IIBD CCOC(=O)C1=C(C)N(Cc2cccs2)C(=O)N[C@@H]1c1cc([N+](=O)[O-])c(F)cc1F 71944898 CMWLCPCLVYXEBH-QGZVFWFLSA-N 437.424 4.038 5 20 IIBD CC1CCC(NS(=O)(=O)c2ccc(N(C)[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 79089312 JBTUDNZIDXHVGQ-CGZBRXJRSA-N 432.546 4.044 5 20 IIBD COc1ccc(Cl)cc1CN(C)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 107698907 VRFOZRHYAMRQAF-UHFFFAOYSA-N 432.782 4.470 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1CNCc1cc(OC)c(OC)cc1Br 236852173 BBICJRPYSGVZMW-UHFFFAOYSA-N 425.279 4.063 5 20 IIBD O=[N+]([O-])c1cnc(N2CCO[C@@H](c3ccc(Br)cc3)C2)c(Br)c1 301524882 IMPIMAGOVCXOSE-CQSZACIVSA-N 443.095 4.093 5 20 IIBD Cc1ccnc([C@@H](Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])C2CC2)n1 302824492 LTCYCYSANCHJFY-FQEVSTJZSA-N 439.497 4.057 5 20 IIBD O=C(c1cn(Cc2ccccc2)c2ccccc12)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 303672577 GUEDCZRNQARGKU-LJQANCHMSA-N 441.491 4.319 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)N1CCC(O)(C(F)F)CC1 426231492 INOGRAHHQKOTIH-QGZVFWFLSA-N 439.846 4.020 5 20 IIBD O=C(c1ccc(C(=O)N2CCC[C@H]3CCC[C@@H]32)cc1[N+](=O)[O-])N1CCC[C@@H]2CCC[C@@H]21 426780817 VQFGFKNQTZTLHE-SEONNTABSA-N 425.529 4.404 5 20 IIBD COc1cc(OCC(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)ccc1[N+](=O)[O-] 427590126 XBVHARBWHJLNSN-UHFFFAOYSA-N 433.464 4.235 5 20 IIBD Cc1c(NC(=O)C(=O)N(CC(C)C)C2CCCC2)cc(Br)cc1[N+](=O)[O-] 430342564 HOXRALBXUDURPH-UHFFFAOYSA-N 426.311 4.031 5 20 IIBD Cc1cc(OCC(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)ccc1[N+](=O)[O-] 430573969 RPDXKKOLHMKVEV-UHFFFAOYSA-N 440.843 4.221 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCC(N[C@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)CC2)cc1 433136137 KTJYIYCJSTVPSP-QFIPXVFZSA-N 443.569 4.069 5 20 IIBD O=C(Nc1cc(F)cc(N2CCOCC2)c1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 436252648 JLTAFPZRPGIVNJ-UHFFFAOYSA-N 435.430 4.048 5 20 IIBD CCN(CC)[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccco1 436304123 FYYPYDGKKZLSCW-HXUWFJFHSA-N 439.462 4.365 5 20 IIBD Cc1ccc([C@@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@H](C)S(C)(=O)=O)cc1 437872453 GNKGTCXUVMYRSD-YWZLYKJASA-N 432.542 4.105 5 20 IIBD Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 439377570 XFPYZAYCZZBASJ-UHFFFAOYSA-N 432.274 4.058 5 20 IIBD O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCN(Cc2ccncc2)CC1 442425632 GFNYSNMRBSCIDV-UHFFFAOYSA-N 434.521 4.099 5 20 IIBD O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3O 443001888 QNJNKRACYNOQCP-SPNXGKIZSA-N 430.913 4.241 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(C)c(C)c3ncccc23)ccc1[N+](=O)[O-] 443923321 YQKZFRBZVUZHKQ-OAQYLSRUSA-N 432.480 4.312 5 20 IIBD Cc1nc([C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c2ccccc2F)no1 444027593 FIZXZYBUNJOYCX-OAQYLSRUSA-N 428.423 4.031 5 20 IIBD CN1CCC(N(Cc2ccccc2)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 444162491 ASSRVBVSSXFTJW-UHFFFAOYSA-N 425.532 4.418 5 20 IIBD Cc1cc(C[C@@H](C)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n(-c2ccccc2)n1 448170968 RZWWCUNYRVUVDP-QGZVFWFLSA-N 433.512 4.050 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(N3CCC(CCCO)CC3)n2CCc2ccccc2)cc1 460422139 QFBVRRYERIATSC-UHFFFAOYSA-N 435.528 4.085 5 20 IIBD Cn1ccnc1[C@@H](Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)c1ccc(F)cc1 462443060 XTETXJQXQHGATE-NRFANRHFSA-N 433.443 4.643 5 20 IIBD Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 463240520 RKJZKFPWSOOQOR-AWEZNQCLSA-N 446.301 4.157 5 20 IIBD O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 463709150 UIDULJAKCFKARI-UHFFFAOYSA-N 433.468 4.090 5 20 IIBD Cn1cncc1CNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 464703946 CJNNJFYKSUPXDJ-UHFFFAOYSA-N 425.495 4.019 5 20 IIBD COc1ccc(CSCC(=O)N[C@H](C)c2nc(C3CCCCC3)no2)cc1[N+](=O)[O-] 464714761 SNZWKQSDTHQSAI-CYBMUJFWSA-N 434.518 4.145 5 20 IIBD C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1nc(-c2cccc(F)c2)no1 464933009 LQWPEBLJVWXZAR-LLVKDONJSA-N 439.428 4.398 5 20 IIBD CO[C@@H](CNC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1)C(C)(C)C 465206704 VDNPHTZOGLLTBZ-IBGZPJMESA-N 430.526 4.339 5 20 IIBD Cn1c(CNC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)nnc1C1CC1 468350397 QNDMLOMCJYVUGD-UHFFFAOYSA-N 443.916 4.335 5 20 IIBD CCC(CC)(CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1ccc(OC)c(OC)c1 468728894 LGIUQGWCAKFXPG-UHFFFAOYSA-N 436.530 4.185 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2nnc(-c3cc(F)ccc3C)s2)cc1OC 469892701 KDECJLMAXBFRIH-UHFFFAOYSA-N 432.433 4.220 5 20 IIBD CCOc1cc(NC(=O)N2C[C@@H](C)O[C@H](c3ccsc3)C2)c([N+](=O)[O-])cc1OCC 470793347 PTWFXALJJKCKFM-YJYMSZOUSA-N 435.502 4.448 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NCCCc1ccc(Cl)cc1Cl 471710087 XVRSCECFCYLJGG-UHFFFAOYSA-N 444.702 4.034 5 20 IIBD COc1ccc(C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2OC)c2ccccc2)cc1OC 475590203 VLECMHBBOVYNEC-LJQANCHMSA-N 436.464 4.334 5 20 IIBD COc1c(C(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)cccc1[N+](=O)[O-] 475762134 LQGMDQMWIQTGDP-UHFFFAOYSA-N 426.816 4.156 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](C)c1ccc(Br)cn1 477806918 QUSKUHUZPWOCFT-ZJUUUORDSA-N 428.670 4.050 5 20 IIBD CC[C@@H](C)[C@@H](NCc1ccc([N+](=O)[O-])cc1F)C(=O)Nc1cccc(N2CCCC2)c1 479951419 AIMQOOXXMCVSBG-OPAMFIHVSA-N 428.508 4.477 5 20 IIBD C[C@H]1CN(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)CC2)CCO1 480526400 IRNXUTFKMDZGMC-KRWDZBQOSA-N 441.553 4.071 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C[C@]2(CCCOC2)O1 482954937 DZOBTWFMBFOARE-ZHRRBRCNSA-N 428.510 4.156 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)N[C@@H](C)CC(=O)Nc3ccc([N+](=O)[O-])cc3)n2)cc1F 483653220 NPENDWCJYZQKRU-UONOGXRCSA-N 427.436 4.160 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(N2CCSCC2)CCCCC1 483755673 KHVSXFAOEJDZSC-UHFFFAOYSA-N 434.606 4.267 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 484009829 ODDDEHAAGWEKHR-LJQANCHMSA-N 434.427 4.020 5 20 IIBD O=C(N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc12 484037309 GTQIMVXDHYUUSL-FQEVSTJZSA-N 444.426 4.131 5 20 IIBD COC(=O)c1cc(NCC(=O)N[C@@H](c2ccccc2)c2cccs2)c(C)c([N+](=O)[O-])c1 486212174 GOWCIJWRUGNBCW-NRFANRHFSA-N 439.493 4.069 5 20 IIBD Cc1ccc(-n2cnc3c2CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C3)cc1 488077362 QPGRFKIYJPZIFV-HNNXBMFYSA-N 439.903 4.128 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)cc([N+](=O)[O-])c1 489294487 PBLFYHOUMQCLOA-UHFFFAOYSA-N 434.861 4.139 5 20 IIBD COc1ccc(CSCC(=O)Nc2cccc(CN3CCSCC3)c2)cc1[N+](=O)[O-] 489381347 WKXUVGCKDNWXHR-UHFFFAOYSA-N 447.582 4.024 5 20 IIBD CC[C@@H]1Oc2cc([C@H](C)NC(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)ccc2NC1=O 489442140 UPFHKEVZRXSMBO-TYILLQQXSA-N 426.473 4.134 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c([N+](=O)[O-])c1 490032300 KNLWPCAGVGYZBO-HUUCEWRRSA-N 444.557 4.145 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CC[C@@H](OCc2ccccn2)C1 490588352 SZJJSHMQWZFFCP-OAQYLSRUSA-N 432.480 4.033 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O 490879569 VFIFWLNESFJRPE-IBGZPJMESA-N 448.882 4.113 5 20 IIBD O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 491276233 CUWWSOIALYNWFG-CYBMUJFWSA-N 443.301 4.095 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] 493106049 OBWQJFXXVAEAQJ-OAHLLOKOSA-N 428.464 4.164 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1ccccc1Nc1ccc(F)cc1F 495305163 OVSSXRKDLGWLMX-UHFFFAOYSA-N 440.406 4.214 5 20 IIBD C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 498159554 PIMHYMXOKRIUOJ-RNODOKPDSA-N 449.529 4.068 5 20 IIBD CCC[C@H](Nc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 498944327 RJSYYMHLYSYDHD-HNNXBMFYSA-N 431.436 4.475 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cc(C(F)(F)F)cnc3O)cc2[N+](=O)[O-])C1 499552788 NKFQRLAROJZWIJ-VXGBXAGGSA-N 438.406 4.449 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)c1oc2ccccc2c1CSc1ncccn1 499745330 AENGUZDWERUSCG-UHFFFAOYSA-N 434.477 4.396 5 20 IIBD COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)COc3ccc([N+](=O)[O-])cc3)s2)cc1 505136120 QHVGHIWFORFECU-CYBMUJFWSA-N 427.482 4.292 5 20 IIBD CC1(C)CN(CCNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CCO1 505517982 YHNCQJBIODVXPY-UHFFFAOYSA-N 449.960 4.240 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCc1cc(C(F)(F)F)ccn1 506817761 LISRNXVVQJBHIC-UHFFFAOYSA-N 432.196 4.052 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2nc3c(Br)cccc3s2)cc1[N+](=O)[O-] 508080721 ADIDUEZDGPKRQD-UHFFFAOYSA-N 428.289 4.076 5 20 IIBD COc1cc(C(=O)N[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)ccc1[N+](=O)[O-] 508985114 YNGDVBSJRQRTHZ-LJQANCHMSA-N 434.427 4.264 5 20 IIBD O=C(O)CCNC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2 509206651 BGSYOQIMZWQXEP-JQIJEIRASA-N 431.448 4.224 5 20 IIBD O=C(NCCc1ccccc1)c1ccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1 509332859 WESOWTQWYNPPAW-UHFFFAOYSA-N 428.448 4.301 5 20 IIBD C[C@H](O)[C@H]1CCN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C1 509442624 RKWOFBYMKOTERU-JSGCOSHPSA-N 429.523 4.199 5 20 IIBD C[C@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cccc([N+](=O)[O-])c1 509616087 FYIWISPKJWFZJI-INIZCTEOSA-N 446.529 4.042 5 20 IIBD Cc1c(Br)cc(C(=O)NCCc2nc(-c3ccncc3)cs2)cc1[N+](=O)[O-] 511510199 CWMUHMRMIXJZSS-UHFFFAOYSA-N 447.314 4.157 5 20 IIBD O=C(NC1CC1)c1ccc(NC[C@H](c2cccc(Cl)c2)N2CCCC2)c([N+](=O)[O-])c1 513183275 HYEPMUCEIBSVNO-OAQYLSRUSA-N 428.920 4.389 5 20 IIBD Cn1ccnc1[C@H](NCCc1ccc(F)c(Br)c1)c1cccc([N+](=O)[O-])c1 513656501 UHJLNNBCRJGUBP-GOSISDBHSA-N 433.281 4.152 5 20 IIBD O=C(Cc1cccc2cccnc12)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 514903817 MTYZIKGYWJTGCZ-UHFFFAOYSA-N 444.413 4.053 5 20 IIBD COc1ccc(Cl)cc1CNc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] 519175282 BMDUGLSIUMMEEJ-UHFFFAOYSA-N 439.921 4.044 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)NCCc3cccs3)CC2)cc1[N+](=O)[O-] 520138653 OSDMTPTVQVVGEX-UHFFFAOYSA-N 443.569 4.165 5 20 IIBD COc1ccc(NC(=O)CNc2ccccc2[N+](=O)[O-])cc1NC(=O)c1cccc(F)c1 520953034 KRKDKGATMPVXKG-UHFFFAOYSA-N 438.415 4.045 5 20 IIBD CC1CCN(C[C@@H]2CCCN(C(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)C2)CC1 522117100 UEUZHYRZXKFHCM-NRFANRHFSA-N 442.604 4.415 5 20 IIBD C[C@H](NC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 523746060 RZVUFSKTLABYMY-VIZZQPHQSA-N 449.429 4.401 5 20 IIBD Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NS(=O)(=O)c1cccnc1[N+](=O)[O-] 525174640 FLKUJINBDUMYRA-LLVKDONJSA-N 438.918 4.115 5 20 IIBD CCNc1ccc(C(=O)Nc2c(C(=O)OC)ccc(Br)c2C)cc1[N+](=O)[O-] 525286584 XRKTXBRRPSUSNZ-UHFFFAOYSA-N 436.262 4.136 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(OC(F)F)c1 534234708 GOXKWRWNRWHARI-UHFFFAOYSA-N 426.397 4.104 5 20 IIBD CN1CC[C@@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 535675670 NLWRFKNSCGASFP-XOBRGWDASA-N 437.924 4.289 5 20 IIBD O=C(c1cc(N2CCC3(CCN(Cc4ccccc4)C3)CC2)ccc1[N+](=O)[O-])N1CCCC1 536498923 ZDDVFHCYYMTIKG-UHFFFAOYSA-N 448.567 4.323 5 20 IIBD C[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(NC(=O)c2ccccc2)c1 538129706 SIYGCEOHOHURTJ-GAJHUEQPSA-N 444.491 4.303 5 20 IIBD CC(C)N(Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1)C[C@@H]1CCCCO1 538269150 UIRFOKYBYAWALD-FQEVSTJZSA-N 427.501 4.332 5 20 IIBD Cc1ccc([C@@H](C)NCc2ccccc2CS(=O)(=O)N2CCC(C)CC2)cc1[N+](=O)[O-] 539054117 WDIZYWONZRCJKH-LJQANCHMSA-N 445.585 4.316 5 20 IIBD C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Br)cc2)no1 541684525 POTVPMIINIKCSY-GFCCVEGCSA-N 433.262 4.137 5 20 IIBD O=c1cc(CSCc2ccc([N+](=O)[O-])cc2Cl)nc2ccc(Br)cn12 542935013 XGRAURIIEUAOJU-UHFFFAOYSA-N 440.706 4.452 5 20 IIBD C[C@H]1CCc2c(C(=O)N3CCCN(c4nc5ccc([N+](=O)[O-])cc5[nH]4)CC3)csc2C1 544687460 XGJRSSWNZDWQQA-AWEZNQCLSA-N 439.541 4.010 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3cccnc3N3CCCCC3)no2)c(Br)c1 545621752 MNDDKVBCWWGRJC-UHFFFAOYSA-N 430.262 4.460 5 20 IIBD COc1cccc(OC)c1OCc1noc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1 546493923 YSQLCUPKYSZHKI-UHFFFAOYSA-N 440.437 4.365 5 20 IIBD CN(Cc1ccc(F)c(F)c1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCO1 549619587 KEEXEZJTUBUFGB-SFHVURJKSA-N 443.454 4.337 5 20 IIBD O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 553176010 NPQPPMWUROXGPO-SANMLTNESA-N 442.519 4.395 5 20 IIBD CC(C)Cn1c(C2CC2)nnc1N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 555352065 CUFKWBOWQSLCRP-UHFFFAOYSA-N 438.454 4.065 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 555862443 PBZXZYTWIBYMCN-GWQKEKGPSA-N 439.331 4.236 5 20 IIBD Cc1c(CNC(=O)C(=O)NCc2ccccc2-c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 557422577 WTPCLCIMDDSFFR-UHFFFAOYSA-N 437.883 4.156 5 20 IIBD C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)Nc1ncnc2sc([N+](=O)[O-])cc12 557640886 NBWCCGWAZVHYSD-ZDUSSCGKSA-N 426.502 4.029 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@H](C)N2CCOCC2)cc1 559569936 MQZDQJYPHNIACO-AWEZNQCLSA-N 448.317 4.311 5 20 IIBD C[C@H](C(=O)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2)c1ccc([N+](=O)[O-])cc1F 560123142 BUIMFZHVMWGYRK-JTQLQIEISA-N 439.415 4.180 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC([C@@H]4CCCO4)CC3)n2CCc2ccccc2)c1 569262247 GVWGHWQVBUQDHB-QHCPKHFHSA-N 447.539 4.491 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCN([C@@H]4C[C@@H]4C)C[C@@H](C)C3)cc2[N+](=O)[O-])n1 572026861 KJXOHNPPSVBCMP-JKIFEVAISA-N 446.598 4.313 5 20 IIBD O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2cccc(Cn3cnc4ccccc43)c2)n1 573674590 YQLPTRGQHQMOFB-GMAHTHKFSA-N 430.512 4.463 5 20 IIBD Cc1ccc([C@H](C)NC(=O)Nc2cc(F)c(Cl)cc2N2CCOCC2)cc1[N+](=O)[O-] 577558083 BKEBHYIPIMFTQY-ZDUSSCGKSA-N 436.871 4.415 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CNCc2coc(-c3ccccc3)n2)c1 578285803 WFCRZQORNYCUMU-UHFFFAOYSA-N 435.221 4.144 5 20 IIBD Cc1ccc([C@H](CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])N2CCCC2)cc1 581154412 FZEURTOOVUTNIL-FQEVSTJZSA-N 431.920 4.279 5 20 IIBD COc1ccccc1[C@H]1CCC[C@@H](C)N1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 589011003 LQSZQJMGOJELRP-CRAIPNDOSA-N 426.469 4.059 5 20 IIBD C[C@@H]1CCc2c(sc3nc(CCC(=O)N(C)Cc4ccccc4[N+](=O)[O-])nc(O)c23)C1 603575488 INDMHNQRYFPGFK-CYBMUJFWSA-N 440.525 4.021 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3nc(N4CCCC4)sc3c2)c(Cl)c1 603973080 CNTAUELJAIHYKW-UHFFFAOYSA-N 438.918 4.259 5 20 IIBD Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)c2)cc1 604108670 VZRBJQSCWBUXLY-INIZCTEOSA-N 439.493 4.195 5 20 IIBD COC(=O)c1ccc(F)c(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c1 604128098 NMWFEZZUVRQQBU-KBPBESRZSA-N 429.448 4.255 5 20 IIBD CCOc1cc(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)c([N+](=O)[O-])cc1OC 604200736 WRAOKNOZWRDDEK-NRFANRHFSA-N 441.528 4.205 5 20 IIBD CC[C@H](C)[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 609447955 GNZMQXZYGAQNOL-BTYIYWSLSA-N 442.491 4.117 5 20 IIBD CC(=O)NCc1ccc(-c2csc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)n2)s1 609853526 NXFQACVKPDIRAD-UHFFFAOYSA-N 436.902 4.322 5 20 IIBD COCCn1c(SCCOc2ccc(OC)cc2[N+](=O)[O-])nc2cc(Cl)ccc21 610219239 CKVOUVFZOFZROK-UHFFFAOYSA-N 437.905 4.424 5 20 IIBD COc1ccc2c(c1)OCC[C@H]2NCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] 610271415 AJKCXKUTCFDTDZ-OAHLLOKOSA-N 442.390 4.167 5 20 IIBD Cc1noc(C)c1N(C)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 610483333 NFCFTTWFRUHUKZ-UHFFFAOYSA-N 431.452 4.258 5 20 IIBD CC(=O)N[C@H]1Cc2ccccc2N(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 610985344 MHGBPDSBWXQWME-SFHVURJKSA-N 431.448 4.095 5 20 IIBD O=[N+]([O-])c1cc(CN2CCCN(C[C@@H]3CCCO3)CC2)ccc1Oc1ccc(F)cc1 611254058 LDVVQPUHVWFLID-NRFANRHFSA-N 429.492 4.213 5 20 IIBD Cc1sc(S(=O)(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] 613469716 PCWNOFCNQIFZCG-HTQZYQBOSA-N 440.387 4.153 5 20 IIBD COc1cc(Cc2noc(Cc3c(C)nc4ccccc4c3C)n2)c([N+](=O)[O-])c(OC)c1 618439475 WOJMABWKNBSSRT-UHFFFAOYSA-N 434.452 4.342 5 20 IIBD COc1ccc(CN2CCN(C(=O)c3cc4ccccc4c4cccnc34)CC2)cc1F 642518971 NZUFUITVACDBCV-UHFFFAOYSA-N 429.495 4.494 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)OCc2ccc(OC(C)C)cc2)ccc1[N+](=O)[O-] 726675696 VLURIMJJKQCLRC-NRFANRHFSA-N 426.469 4.038 5 20 IIBD O=C(CN1CCO[C@H](c2ccc(F)c(Cl)c2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] 727435795 TYOBLMCXHAXKSW-KRWDZBQOSA-N 428.247 4.053 5 20 IIBD COc1ccc(CC(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2C)cc1[N+](=O)[O-] 727667965 WIVNTQQAABGCPU-MRXNPFEDSA-N 425.485 4.108 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1nnn(-c2cccc(F)c2)c1C(F)(F)F 727711062 DQHVMRHTEBRGNY-UHFFFAOYSA-N 429.717 4.239 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Oc1ccc(-c2noc([C@H]3CCCO3)n2)cc1 729109174 MSBLNXQIDWCZBZ-LJQANCHMSA-N 434.408 4.057 5 20 IIBD CCOc1cccc([C@@H](C)NC(=O)c2ccc(I)c([N+](=O)[O-])c2)c1 729262880 ZGHVLSWLKLSMSN-LLVKDONJSA-N 440.237 4.089 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 729419758 OQFADSBPZHRJRK-GFCCVEGCSA-N 439.472 4.393 5 20 IIBD O=C(COC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)Nc1cc([N+](=O)[O-])ccc1F 730614072 RQHZPLBCOUUVMJ-QWHCGFSZSA-N 427.215 4.326 5 20 IIBD O=C(/C=C\c1nc2ccccc2s1)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730704753 RPWIWOVEEMSKIH-SSCKCOOKSA-N 437.477 4.066 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 731831670 QECMMBCBLNDLPG-NRFANRHFSA-N 440.887 4.020 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@@H](C)OC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 733072150 LRJDACYSYTTWFE-CYBMUJFWSA-N 446.506 4.348 5 20 IIBD CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 733984511 NQTVUINFHNVPFN-RNODOKPDSA-N 443.928 4.071 5 20 IIBD CC[C@@H]1CN(C(=O)c2ccc(I)c([N+](=O)[O-])c2)c2ccccc2O1 742001060 UBOHBKCXUSSLRL-GFCCVEGCSA-N 438.221 4.017 5 20 IIBD COc1cc(Cl)ccc1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 742988001 PZVZOZASYMVDTH-VIFPVBQESA-N 446.765 4.460 5 20 IIBD C[C@@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(Cc2cc(Cl)ccc2[N+](=O)[O-])C1=O 746048301 AROVEKCWMLNHHU-KRWDZBQOSA-N 427.766 4.234 5 20 IIBD CC(C)n1c(S)nnc1C1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 747411635 UYTQFCPVDUWYKB-UHFFFAOYSA-N 443.451 4.095 5 20 IIBD COc1cc(C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)c([N+](=O)[O-])cc1OC 748662737 HOZVHRSYJHTXAN-UHFFFAOYSA-N 437.905 4.071 5 20 IIBD O=C(COC(=O)c1cccc(Cl)c1[N+](=O)[O-])Nc1ccc(OC(F)F)c(Cl)c1 750534388 GJQATWWCPFTOFR-UHFFFAOYSA-N 435.166 4.299 5 20 IIBD O=C(NCCCCCN1CCCCC1)c1cc(Br)cc([N+](=O)[O-])c1Cl 750878455 HNIHOJIVCZYMFQ-UHFFFAOYSA-N 432.746 4.397 5 20 IIBD COc1cc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2Br)ccc1OC(F)F 751054441 IPMFQFZCYPEJQF-UHFFFAOYSA-N 445.216 4.240 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 751267769 MMCFHYRXYGKCHH-UHFFFAOYSA-N 446.794 4.254 5 20 IIBD CSCCNC(=S)/C(=C(/O)c1ccc([N+](=O)[O-])cc1)[n+]1ccc(C(C)(C)C)cc1 751543352 NSPCAPVCFLAAHD-UHFFFAOYSA-O 432.591 4.344 5 20 IIBD Cc1cc(Cl)c(NC(=O)c2c3c(cc([N+](=O)[O-])c2[N+](=O)[O-])OCCO3)cc1Cl 752856213 DMXFEPLKLHJYDG-UHFFFAOYSA-N 428.184 4.142 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](N(C)c3ccc(C)cc3)C2)cc1OC 753048288 BMXQTBIJKBKJHG-SFHVURJKSA-N 427.501 4.052 5 20 IIBD O=C(COC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)Nc1nc(-c2ccc(F)cc2)cs1 754789609 QRKPDKHNMONGMD-UHFFFAOYSA-N 440.412 4.134 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)C(F)(F)c2nccs2)c2ccccc2)c([N+](=O)[O-])c1 755603864 HDAFURLYIXZNRK-INIZCTEOSA-N 447.419 4.375 5 20 IIBD Cc1cc(F)cc(C(=O)Nc2ccc(NC(=O)CN3CCCCCCC3)cc2)c1[N+](=O)[O-] 758471233 ALJUHMPGADBFFG-UHFFFAOYSA-N 442.491 4.499 5 20 IIBD Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 759772255 HEWOXEOVDDQGOQ-SFHVURJKSA-N 445.951 4.135 5 20 IIBD C[C@@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc12)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 759800404 KOAPMEDJAWLMSY-FZKQIMNGSA-N 439.472 4.312 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)c3cccnc23)ccc1Br 760339919 XWHFGDZDVQABLX-UHFFFAOYSA-N 442.678 4.360 5 20 IIBD Cc1ccccc1-c1nc(COC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])no1 761087246 WQMAGXQHIPPBFV-UHFFFAOYSA-N 437.330 4.251 5 20 IIBD CC(C)(C(=O)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1F 762609973 CVXBRFLLIONXNO-GOSISDBHSA-N 448.800 4.231 5 20 IIBD C[C@H](OC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C(=O)Nc1ccc(Br)cc1 762906537 UZTGLHICAPMAAE-JTQLQIEISA-N 432.230 4.023 5 20 IIBD O=[N+]([O-])c1ccc([C@H](O)CN[C@H](Cc2ccccn2)c2ccc(Br)cc2)cc1 765850642 YPMASWDRXHAERD-NHCUHLMSSA-N 442.313 4.359 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC(O)(c4ccccc4)CC3)cc2[N+](=O)[O-])C1 768584635 WWIISUYDHOQJIH-RTBURBONSA-N 437.540 4.201 5 20 IIBD Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 768881098 KIQNJWNPAMQXRU-UHFFFAOYSA-N 446.485 4.458 5 20 IIBD O=C(COC(=O)C1CCC(C(F)(F)F)CC1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 769453231 DHUXDUABCYTOKC-UHFFFAOYSA-N 442.312 4.464 5 20 IIBD CCCc1ccc(N2C[C@H](c3nc(Cc4cc(OC)ccc4[N+](=O)[O-])no3)CC2=O)cc1 771390586 MJWOKARCMIOGOI-QGZVFWFLSA-N 436.468 4.050 5 20 IIBD O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1sc(Br)cc1[N+](=O)[O-] 773603687 HHYPMTDDSYBGOA-UHFFFAOYSA-N 444.650 4.479 5 20 IIBD CC(C)[C@H](OC(=O)c1sc(Br)cc1[N+](=O)[O-])C(=O)Nc1ccccc1F 773606966 YXRRTKHQTMMYPL-ZDUSSCGKSA-N 445.266 4.378 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1nc(-c3ccccc3)n(-c3ccccc3)n1)CC2 773993453 RBNWSIWEUWKUKX-UHFFFAOYSA-N 425.448 4.354 5 20 IIBD CN(C(=O)c1cnn(-c2ccc(Cl)cc2)n1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 775495675 ORHWQDNXCBHYMI-UHFFFAOYSA-N 440.872 4.229 5 20 IIBD O=[N+]([O-])c1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)cc1Cl 777687285 MBNASOBSQMWOHZ-NSHDSACASA-N 447.296 4.118 5 20 IIBD Cc1ccc(C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)c2ccccn2)cc1 778000315 NOIUCSXRRSNWFH-IBGZPJMESA-N 429.473 4.008 5 20 IIBD O=C(Oc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1)c1cc([N+](=O)[O-])ccc1OC(F)F 779207128 WISJEYVFGHRHNF-INIZCTEOSA-N 447.350 4.317 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2CCCc3cn(C(C)C)nc32)CC1 780422496 NXFDJEBAGKKOBR-FQEVSTJZSA-N 425.533 4.416 5 20 IIBD O=C(Nc1cc(Br)ccc1NC1CC1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781992844 BXCAWZKSHZARTO-GOSISDBHSA-N 445.273 4.063 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CC[C@@H](Oc3cccc(F)c3)C2)c1=S 784029440 PTXJTFVUKUWCNW-LJQANCHMSA-N 443.504 4.259 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1C(=O)NCC(C)C 785766072 DNDBKNUZBYXORL-UHFFFAOYSA-N 434.290 4.304 5 20 IIBD Cn1cnc(-c2ccc(OC(=O)CSc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)n1 787988878 HDDVMWXDOVXRDZ-UHFFFAOYSA-N 438.387 4.107 5 20 IIBD CCc1c(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cnn1C1CCCC1 789247299 HMZJHSOXUNTNGL-GFCCVEGCSA-N 434.880 4.306 5 20 IIBD COc1ccc(CSCc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)cc1[N+](=O)[O-] 789783811 YIIJDSRLHLTCIS-UHFFFAOYSA-N 438.506 4.180 5 20 IIBD Cc1ccc2c(c1)SCCCN2S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 790638757 RGTWREDWGHDYNN-UHFFFAOYSA-N 437.499 4.119 5 20 IIBD Cc1nn(Cc2ccc(C(=O)O[C@H](c3ccccc3)c3cnn(C)c3)cc2)c(C)c1[N+](=O)[O-] 799638516 ONGPGMJDBHLVRX-HSZRJFAPSA-N 445.479 4.136 5 20 IIBD O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 807792556 VJQURSWLLCGYAV-INIZCTEOSA-N 437.399 4.201 5 20 IIBD O=[N+]([O-])c1cc(F)c(S(=O)(=O)Oc2ccc(-c3noc(C4CC4)n3)cc2)cc1Cl 809815064 OCWXBDNKJLENIR-UHFFFAOYSA-N 439.808 4.082 5 20 IIBD C[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)[C@@H](c2ccccc2)CO1 809822931 WMYFODWUKWZGIV-MEDUHNTESA-N 431.297 4.052 5 20 IIBD C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1Cl)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 809913374 HLMPIBRQRKADMB-CHWSQXEVSA-N 426.901 4.405 5 20 IIBD O=C(OCc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 811123342 QBVHWJGEBKHHBZ-ZDUSSCGKSA-N 429.281 4.311 5 20 IIBD CCCCN1C(=O)CC[C@H](c2nc(CCC(C)(C)[N+](=O)[O-])no2)[C@@H]1c1ccc(OC)cc1 812813492 LUJPMUICYVCQHA-RXVVDRJESA-N 444.532 4.314 5 20 IIBD O=C(OCc1ccnc(Br)c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 815193158 SMOXNYBLBGIDQT-UHFFFAOYSA-N 435.152 4.050 5 20 IIBD O=C(COc1ccc2c3c(c(=O)oc2c1)CCCCC3)Nc1cc([N+](=O)[O-])ccc1F 822658723 ABYGJZDURZOSMH-UHFFFAOYSA-N 426.400 4.127 5 20 IIBD Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1C 863938298 LPHNDULJEUNQRB-KRWDZBQOSA-N 445.903 4.125 5 20 IIBD O=C(CCc1nc(-c2ccc(OCc3cccnc3)cc2)no1)c1cccc([N+](=O)[O-])c1 904467694 KHHOZHVICNTFSB-UHFFFAOYSA-N 430.420 4.434 5 20 IIBD C[C@@H](OC(=O)c1cc2cc(Br)ccc2[nH]1)C(=O)Nc1ccccc1[N+](=O)[O-] 912673771 PVHJHOJLHMVTEI-SNVBAGLBSA-N 432.230 4.023 5 20 IIBD COc1cccc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2)c1 917841994 SQAZDJAUHUXARR-UHFFFAOYSA-N 449.463 4.485 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)c1cc2ccccc2nc1O)c1cccc([N+](=O)[O-])c1 918636970 ZRAKTCZYEJBGJW-GOSISDBHSA-N 449.463 4.090 5 20 IIBD O=C(Nc1nc2ccc(SC(F)F)cc2s1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 920088043 PGIBMYKIOCQUSZ-UHFFFAOYSA-N 448.436 4.352 5 20 IIBD COCCN(C(=O)c1cc(C)cc([N+](=O)[O-])c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 920840427 VAIVGQGHOFLGIY-UHFFFAOYSA-N 442.453 4.228 5 20 IIBD Cc1cc(C(=O)OCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc([N+](=O)[O-])c1 920899967 JIFAYHRXCLGZBE-UHFFFAOYSA-N 426.425 4.130 5 20 IIBD CC(=O)c1ccc(-c2ccc(C(=O)N3CCN(Cc4cccc([N+](=O)[O-])c4)CC3)o2)cc1 1320949935 QCCUPTATCHCPMS-UHFFFAOYSA-N 433.464 4.015 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CC(Cc2c(F)cccc2Cl)C1 1321941921 OQIRDICDSXAHGL-UHFFFAOYSA-N 427.657 4.465 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CNC2CCC3(CCOCC3)CC2)c1 1323922570 BXIDMDNKFUPISC-UHFFFAOYSA-N 430.286 4.028 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])NC1(c2ccc(NC(=O)c3ccncc3)cc2)CCC1 1787311942 WSUAQGYJPZAILV-IZZDOVSWSA-N 442.475 4.451 5 20 IIBD C[C@@H]1C[C@@]1(C)C(=O)Nc1ccc(C2(NC(=O)c3cc([N+](=O)[O-])cc4c3OCC4)CCC2)cc1 1790427320 PLWDOFULYOKAQI-OYLFLEFRSA-N 449.507 4.324 5 20 IIBD CC1=C(C(=O)NC2(c3ccc(NC(=O)c4cc(F)cc([N+](=O)[O-])c4)cc3)CCC2)CCO1 1790696682 XPNSHOQALOWDPV-UHFFFAOYSA-N 439.443 4.176 5 20 IIBD Cc1ccc(/C=C/C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C3)s1 1802908249 YJKFRLRPSQLLQQ-SSCFBFAFSA-N 443.500 4.069 5 20 IIBD CC(C)=CCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)CC2 1822734433 KQRBNZNXMCCPSB-CYBMUJFWSA-N 446.504 4.163 5 20 IIBD CCOC(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 10702902 BYJTUNWDADCACS-NSHDSACASA-N 435.820 4.001 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 14367000 SWPWFKKTRVQNNS-UHFFFAOYSA-N 449.341 4.476 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1[N+](=O)[O-] 20836248 KLEZXJATYDQLNR-UHFFFAOYSA-N 444.523 4.312 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccccc2Cl)cs1 21054378 BXRBAODIOWDKCM-UHFFFAOYSA-N 430.873 4.130 5 20 IIBD NC(=O)c1ccc(SCC(=O)Nc2ccccc2N2CCc3ccccc32)c([N+](=O)[O-])c1 36755145 UGNNULFBEQXJTB-UHFFFAOYSA-N 448.504 4.119 5 20 IIBD CCOc1c(Br)cc(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1OC 60514634 QEYVBGHOQJQXSN-UHFFFAOYSA-N 425.235 4.026 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N(C)CCc2ccccn2)cc1[N+](=O)[O-] 63683250 MFLWGYWMJJCFCP-UHFFFAOYSA-N 435.505 4.257 5 20 IIBD C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 69525150 SMQZEJPGKYZAPQ-CYBMUJFWSA-N 437.905 4.064 5 20 IIBD C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)OCCO3 71885530 GRQKIYYWCKUWQX-CQSZACIVSA-N 448.479 4.271 5 20 IIBD Cn1ccnc1Sc1ccc(F)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 72058134 KFIKRZFNGSDSGY-UHFFFAOYSA-N 441.488 4.471 5 20 IIBD O=C(Nc1cc(F)c(I)c(F)c1)c1ccc([N+](=O)[O-])cc1Cl 109907370 VRJHWBUTJLLVSA-UHFFFAOYSA-N 438.555 4.383 5 20 IIBD O=C(c1ccccc1C(F)(F)F)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 111193961 DXBZRVCGECLOCK-UHFFFAOYSA-N 436.415 4.186 5 20 IIBD COc1cc(CN[C@@H](C)c2nnc3ccccn23)c([N+](=O)[O-])cc1OCc1ccccc1 237317329 YWBQFAUPZVYSAL-INIZCTEOSA-N 433.468 4.076 5 20 IIBD COc1cc(N2CCN(C(=O)c3sc4ccccc4c3C)CC2)c(F)cc1[N+](=O)[O-] 301943572 YLCYBWNHRYVYIR-UHFFFAOYSA-N 429.473 4.228 5 20 IIBD CC(C)n1c(CCNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)nc2ccccc21 303739408 YODGXXFWCLIORA-UHFFFAOYSA-N 438.531 4.444 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N[C@H]2COc3cc(F)c(Br)cc32)cc1[N+](=O)[O-] 410189929 PEUHKYRAHAQAJB-BMIGLBTASA-N 438.253 4.299 5 20 IIBD Cc1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)cc1[N+](=O)[O-] 410417487 KVBZOOMOKMKEEN-QHCPKHFHSA-N 445.475 4.073 5 20 IIBD COc1ccc(CN[C@@H]2CCCC[C@]2(C)C(=O)O)cc1OCc1ccc([N+](=O)[O-])cc1 426749109 COXWLOOEJVTSLS-GGAORHGYSA-N 428.485 4.306 5 20 IIBD COc1ccc(OCCN(C)[C@@H](c2ccc(Cl)cc2)c2cnccn2)c([N+](=O)[O-])c1 426866745 NGNJKEFQIYPVTA-NRFANRHFSA-N 428.876 4.147 5 20 IIBD O=C(Nc1nc(CC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cs1)c1cccs1 427590000 VZGGTZYNRJGNQA-UHFFFAOYSA-N 442.522 4.099 5 20 IIBD Cc1oc2ccc(NC(=O)C(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)cc2c1C 427882338 AMGXTOFYXNVGQR-UHFFFAOYSA-N 435.358 4.232 5 20 IIBD O=C(Nc1ccc(Oc2ccc(CO)cc2)cc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 427995091 JNMYOSAWYCRWOZ-UHFFFAOYSA-N 430.420 4.317 5 20 IIBD O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1ccc(Br)cc1[N+](=O)[O-] 429830101 IWTRCIOIMMPGFB-UHFFFAOYSA-N 438.241 4.319 5 20 IIBD COc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)cc1NC(=O)C1CCCCC1 430681927 WAMPVDKHUMRVEX-UHFFFAOYSA-N 441.484 4.448 5 20 IIBD C[C@H](c1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1)N1CCOCC1 430923590 FFAZPUNCRZDQBO-CYBMUJFWSA-N 434.290 4.003 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCO[C@H](c2ccccc2Cl)C1 431034595 YCMHGHVCJIEUFY-INIZCTEOSA-N 425.666 4.224 5 20 IIBD Cc1cc(N2CCCN(C(=O)CCc3ccccc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 433764534 FWKCGLBRWVONSF-UHFFFAOYSA-N 445.523 4.032 5 20 IIBD Cc1oncc1C(=O)Nc1ccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 436077695 OHKFLHOCXVSQPD-UHFFFAOYSA-N 438.443 4.482 5 20 IIBD C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436157985 XXIDJIGJWFSHFV-KFWWJZLASA-N 427.495 4.056 5 20 IIBD CSc1cccc(N(C)S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1 438776563 TUVMMHQABYMQRT-UHFFFAOYSA-N 431.333 4.213 5 20 IIBD Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c1C 439123384 KPRBBLXNGZMSSI-FQEVSTJZSA-N 427.526 4.489 5 20 IIBD Cc1nc(C)c([C@@H](C)N(C)S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)s1 439238673 XKGUPGYQUVAYCT-SNVBAGLBSA-N 448.364 4.121 5 20 IIBD CS(=O)(=O)c1ccc(Sc2ccccc2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 443808504 YMQFHSFDSINYRU-UHFFFAOYSA-N 428.491 4.402 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CC[C@@H](n2ncc3ccccc32)C1 444287732 CPTPFMJGZYJLHH-QGZVFWFLSA-N 444.441 4.396 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccnc(Oc2ccccc2Cl)c1)c1cccc([N+](=O)[O-])c1 444496032 HFQGWBAFJFHYHB-ZDUSSCGKSA-N 440.843 4.251 5 20 IIBD COc1cc(Cc2noc(CCc3ccc(Br)cc3)n2)c([N+](=O)[O-])c(OC)c1 445820149 RIKKBEGSOIJPQO-UHFFFAOYSA-N 448.273 4.134 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(-c3cc4c(s3)CCCC4)o2)cc1C 446779180 ZULJLSPGWLKZAC-UHFFFAOYSA-N 434.499 4.003 5 20 IIBD CN(C)C(=O)C[C@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccccc1 447391371 FKKHIZSHVMVBHM-QFIPXVFZSA-N 447.491 4.123 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1CNC(=O)Nc1ccccc1 462903014 BHBJOSFHFZMLCH-SIKLNZKXSA-N 438.528 4.366 5 20 IIBD COc1ccc([C@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])N2CCCC2)cc1 463471594 YKDYUXKZJTVZTP-IBGZPJMESA-N 437.418 4.189 5 20 IIBD NC(=O)c1cccc(CNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])c1 464566113 DDLFOMVUHMCVBM-UHFFFAOYSA-N 441.896 4.428 5 20 IIBD Cc1ccc([C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)c2cccc(S(C)(=O)=O)c2)cc1 466273023 QDIQSRHTJBRYOR-NRFANRHFSA-N 439.493 4.218 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCO[C@@H](c2cccc(Cl)c2)C1 469204207 TZWMZNQTEKQREJ-OAQYLSRUSA-N 429.904 4.065 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)CCn1nc(C)c([N+](=O)[O-])c1C 469324486 MOPWSZMLBVWONB-MRXNPFEDSA-N 427.530 4.450 5 20 IIBD COc1ccc(CSCC(=O)Nc2cc(-c3ccccc3C)nn2C)cc1[N+](=O)[O-] 470201607 IJONXCYRTVGZJX-UHFFFAOYSA-N 426.498 4.184 5 20 IIBD C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)no1 471590656 YHAHLABMCDNCMF-SNVBAGLBSA-N 432.234 4.290 5 20 IIBD O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1c(Cl)cccc1[N+](=O)[O-] 475780259 OLCBKSSUTHTMEL-LBPRGKRZSA-N 428.659 4.090 5 20 IIBD O=C(CN1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1)Nc1ccc([N+](=O)[O-])cc1Cl 477047680 YNCCDWDUSGQJLI-HSZRJFAPSA-N 442.947 4.175 5 20 IIBD COc1ccc(CNC(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)cc1[N+](=O)[O-] 481930867 YDXDBGBJMBKADN-UHFFFAOYSA-N 437.840 4.236 5 20 IIBD CC[C@@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1nc(C(F)(F)F)cs1 482189224 ZKRXZMJNUSGKNG-SNVBAGLBSA-N 425.392 4.137 5 20 IIBD CC(C)[C@@H]1CC[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@@H](Cc2ccc(Cl)cc2)C1 482330628 DYPJQPDKMUNDEE-HBFSDRIKSA-N 445.947 4.210 5 20 IIBD COc1ccc(CN(CCc2ccccn2)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 483075142 FZSCQINOVWHHGX-UHFFFAOYSA-N 445.479 4.293 5 20 IIBD COc1cc(OC)c(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)c(OC)c1 483180255 QSWBEIWOUFTOTB-UHFFFAOYSA-N 434.514 4.299 5 20 IIBD Cc1ccc(NC(=O)NCCCOC2CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-] 483835580 CKBYSKQONMHASY-UHFFFAOYSA-N 426.517 4.096 5 20 IIBD O=C(NC[C@H]1CCN(CC(F)(F)F)C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 487241422 QOWHPMZNMJLXHQ-CQSZACIVSA-N 439.459 4.360 5 20 IIBD Cc1cccc(CN(CCN(C)C)C(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 487482503 YTEYASUPAZBOKF-UHFFFAOYSA-N 427.548 4.054 5 20 IIBD O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)c1cc([N+](=O)[O-])ccc1OC(F)F 487726682 LIETZNQKYLZFQV-UHFFFAOYSA-N 440.830 4.328 5 20 IIBD Nc1c(C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)cc(F)cc1[N+](=O)[O-] 490838346 ANAAGOXSALJPGY-UHFFFAOYSA-N 434.855 4.284 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc(COCc3ccco3)c2)cc1[N+](=O)[O-] 493959639 FJGDPMMPMWXAKF-MRXNPFEDSA-N 437.452 4.029 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 496519774 LVBHGNQCFXXHSH-IERDGZPVSA-N 435.480 4.003 5 20 IIBD O=C(Nc1ccc(Br)cc1C(F)(F)F)c1cc2c(c([N+](=O)[O-])c1)OCO2 497793921 YLIREXLDXJDBAO-UHFFFAOYSA-N 433.136 4.357 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 499754086 XYBLEGVFOBKTBV-UHFFFAOYSA-N 445.401 4.044 5 20 IIBD CCOC(=O)c1cc(C)sc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 500710751 NLFVVPCAZSFLLP-UHFFFAOYSA-N 432.376 4.335 5 20 IIBD Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCCN1C(=O)c1cccc([N+](=O)[O-])c1C 501203675 BWHRTLSBKNOSQK-OAQYLSRUSA-N 438.459 4.059 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc(F)ccc1I 502014664 OQEHSZFZAUTOIJ-UHFFFAOYSA-N 442.228 4.389 5 20 IIBD Cc1ccc(-c2c(C)sc3nc(Cn4cc(Cl)cc([N+](=O)[O-])c4=O)nc(O)c23)cc1 502116135 FBDKOVXMLZXRMZ-UHFFFAOYSA-N 442.884 4.452 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 503240743 HRZZRIAOLHJIIL-GOSISDBHSA-N 431.901 4.214 5 20 IIBD COC(=O)c1cc(C(=O)N[C@H]2CCOc3c(-c4ccccc4)cccc32)cc([N+](=O)[O-])c1 505138688 HDHJZYRACHDUHW-NRFANRHFSA-N 432.432 4.302 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCC[C@H]2CCCCO2)cc1[N+](=O)[O-] 505450689 GYPHGSPDJJZPSV-MRXNPFEDSA-N 428.510 4.237 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3nc(C(F)F)sc3c2)c2ncccc12 507633804 DMGGGDMFBPERPT-UHFFFAOYSA-N 436.421 4.491 5 20 IIBD NS(=O)(=O)c1cccc(NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)c1 508675483 GQHMAHSYFYISBZ-UHFFFAOYSA-N 433.873 4.300 5 20 IIBD CC(C)N(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F 511879829 RRWVOEMHPCYEDT-UHFFFAOYSA-N 431.283 4.096 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2Nc2ccccc2F)cc1[N+](=O)[O-] 513648090 NHLBGXJRJNQQFS-UHFFFAOYSA-N 447.419 4.272 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)N2CCCCC[C@H]2/C=C/c2ccccc2)cc1[N+](=O)[O-] 513838574 UEPIFRQYDNNOQF-BPOBUFBUSA-N 428.510 4.097 5 20 IIBD CCOc1cc(C(=O)N2CCCN(c3ccccc3Cl)CC2)c([N+](=O)[O-])cc1OC 514092400 FEPBWAQZGITIII-UHFFFAOYSA-N 433.892 4.008 5 20 IIBD COc1cccc([C@H](C)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])c1 515555290 ZEZIIFZDDQVGSQ-INIZCTEOSA-N 433.530 4.341 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cc(C(C)C)nn2-c2ccccc2)cc1[N+](=O)[O-] 516607421 LUZHAAYGFPQZII-INIZCTEOSA-N 435.484 4.028 5 20 IIBD CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 519150763 UQZKASPPSVUTJF-UHFFFAOYSA-N 433.346 4.010 5 20 IIBD O=C(NCc1csc(Br)c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 519494660 QWKOLAKORMMWPJ-UHFFFAOYSA-N 439.209 4.290 5 20 IIBD COc1ccc(CNC(=O)NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)cc1[N+](=O)[O-] 520263681 FIZUJKOEVQNAQZ-IBGZPJMESA-N 446.935 4.111 5 20 IIBD O=C(N[C@@H]1CCN(c2ccccc2Br)C1)c1cc2cc([N+](=O)[O-])ccc2o1 521082158 OBFQAEPFVMUOKK-CYBMUJFWSA-N 430.258 4.112 5 20 IIBD Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)cc1[N+](=O)[O-] 522376212 XVENVXPXNNUCMF-UHFFFAOYSA-N 446.301 4.157 5 20 IIBD CN(Cc1ccc([S@](C)=O)cc1)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 531389280 QSJFAANGHVIDAZ-HKBQPEDESA-N 437.521 4.217 5 20 IIBD COc1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3n2C)c([N+](=O)[O-])cc1OC(F)F 531831370 GXJNTSRHGLRCPV-HNNXBMFYSA-N 446.410 4.069 5 20 IIBD COc1cc(CN[C@H]2CCO[C@]3(CCSC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 532675102 SFALJUICCBLMSA-WMZHIEFXSA-N 444.553 4.327 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](c2ccccc2)C(F)(F)F)c(C(F)(F)F)c1 533007016 RYNVCGDORZCQKT-ZDUSSCGKSA-N 428.310 4.196 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)CSc3ccccc32)cc1OC 533147174 ASHKELYMOWITBW-AWEZNQCLSA-N 432.498 4.017 5 20 IIBD Cc1cc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccn2)ccc1[N+](=O)[O-] 538550634 DOFIJYUOGFZQQT-UHFFFAOYSA-N 428.452 4.470 5 20 IIBD Cc1cc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nn1-c1cccc(Cl)c1 540755355 RDPFGQWVLJONCE-UHFFFAOYSA-N 440.887 4.426 5 20 IIBD COc1ccc(NC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@H]3C)cc2)cc1[N+](=O)[O-] 541067977 FNNISBNFGVAPLV-IYBDPMFKSA-N 441.484 4.024 5 20 IIBD CSc1nnc(CCCNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)n1C1CCCC1 541584930 FKWKBHKTWDAAQD-ZDUSSCGKSA-N 435.525 4.015 5 20 IIBD COC(=O)[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl 543206260 SZNWCJUMZWNAKX-MRXNPFEDSA-N 429.281 4.024 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2cccc(C)c2)C1 543249061 NRVTVHGUXWPVKL-QGZVFWFLSA-N 428.510 4.188 5 20 IIBD COc1ccc(Sc2nsc(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)n2)cc1 543484362 FQBVYWXHXMOBGG-JTQLQIEISA-N 434.474 4.487 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1noc(CCc2ncc(-c3ccc(F)cc3F)o2)n1 544539877 QHYYEMMQWAPZEU-UHFFFAOYSA-N 441.394 4.351 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(N3CCOCC3)c(F)c2)no1 545740271 IQRRYSFCXOPKOK-CYBMUJFWSA-N 430.461 4.474 5 20 IIBD Cn1ccc([C@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c2ccc(Cl)cc2)n1 546574246 MFJNXEWKXWFWDR-LJQANCHMSA-N 448.310 4.266 5 20 IIBD Cc1ccc(-c2noc(-c3cccc(NS(=O)(=O)c4ccccc4)c3)n2)cc1[N+](=O)[O-] 546985878 WGNBWVSMZGNMSY-UHFFFAOYSA-N 436.449 4.421 5 20 IIBD COCCC[C@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(Cl)cc1 552245050 MOCWQHLPNHSMCD-QGZVFWFLSA-N 442.903 4.374 5 20 IIBD O=C(Nc1cccc(Cl)c1N1CCOCC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 552555344 RVVYTCGVQXUJPI-UHFFFAOYSA-N 438.871 4.399 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 553034159 YPCCETJNAJHPTB-AOIWGVFYSA-N 431.286 4.002 5 20 IIBD CC[C@@H]1CN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C[C@@H](C)[S@@]1=O 557581188 IVUDLGKGAKQABK-OKRNOHDPSA-N 432.567 4.426 5 20 IIBD COc1ccc(CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])c(OC2CCCC2)c1 557883467 VLKJZIDPKCHLEN-UHFFFAOYSA-N 427.501 4.309 5 20 IIBD COc1ccc(Br)cc1-c1noc(-c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)n1 558568822 CCWOWVOVYRYRLA-UHFFFAOYSA-N 442.229 4.269 5 20 IIBD CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 559102214 MBTYATCVZJZEMB-MRXNPFEDSA-N 427.427 4.057 5 20 IIBD COC(=O)c1sc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)nc1C1CC1 559875905 DRAYECAKVLVURE-UHFFFAOYSA-N 430.467 4.091 5 20 IIBD C[C@H](NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(-c2cccnc2)cc1 561742226 FDIFOKIPDSYPCT-KRWDZBQOSA-N 444.491 4.025 5 20 IIBD CCn1c(SCC(=O)COc2ccc(Cl)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 564240151 SIKBEYDEWRQJTL-UHFFFAOYSA-N 432.889 4.267 5 20 IIBD O=[N+]([O-])c1ccccc1/C=C\CN(CCn1ccnc1)Cc1ccc(Br)o1 567099892 HMBPQOOSNXSEMU-HYXAFXHYSA-N 431.290 4.362 5 20 IIBD COc1cc(CNc2cc(C)c(F)cc2C(=O)NCC(F)(F)F)c([N+](=O)[O-])cc1F 567156084 FNJBVXBTWMEUER-UHFFFAOYSA-N 433.333 4.094 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CCN(Cc3ccc(C)s3)C2)cc1SC 575779603 OXQCKNVESDERAO-OAHLLOKOSA-N 449.598 4.289 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 582342933 XMKMDXGOASVLDT-JOCHJYFZSA-N 432.517 4.303 5 20 IIBD CCOc1cc(C(=O)NC[C@@H](Cc2ccccc2)C(F)(F)F)c([N+](=O)[O-])cc1OC 589472050 WPNVHVFZFLIFQE-CQSZACIVSA-N 426.391 4.153 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)C[C@H]1CCCO[C@@H]1c1ccccc1 604520735 IRQXCXQZIUFYBD-WZONZLPQSA-N 427.501 4.032 5 20 IIBD O=C(NC[C@@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1)Nc1cccc(F)c1 609113556 RNPRIJSCQICXHF-AWEZNQCLSA-N 440.431 4.154 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 609198101 PBNASZCTSXYTOI-ZDUSSCGKSA-N 435.502 4.346 5 20 IIBD Cc1ccc(-c2csc(NC(=O)c3sc(-c4cnn(C)c4)nc3C)n2)cc1[N+](=O)[O-] 609641470 XOQFPFJWBMVVNL-UHFFFAOYSA-N 440.510 4.444 5 20 IIBD Cc1ccc([C@H]2COCCN2C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 609728996 HKFYACSDHBZFKL-CQSZACIVSA-N 430.404 4.207 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(-c2nc3ccccc3n2C)cc1 609843572 JUIMFEOMTRWHQK-QGZVFWFLSA-N 447.499 4.020 5 20 IIBD O=C(NCc1ccc(OCC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1Br 610037846 ARPUBQANXRCIMZ-UHFFFAOYSA-N 433.180 4.228 5 20 IIBD O=C(Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1)c1ccco1 610038142 IYULRVGMOZCICW-UHFFFAOYSA-N 430.214 4.455 5 20 IIBD O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)c1cc(F)cc([N+](=O)[O-])c1 610184498 KREKPAZOQSQLNO-UHFFFAOYSA-N 433.237 4.188 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC2(CC1)OCc1ccccc12 610742374 GYJDMKRAMMAQPU-UHFFFAOYSA-N 449.429 4.464 5 20 IIBD CO[C@H](CNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)c1ccccc1Cl 610789719 AFPGIPYHNPVFFD-HXUWFJFHSA-N 442.903 4.227 5 20 IIBD CN(CCOC(C)(C)C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 610937825 JFUHRCSYIIFKFB-UHFFFAOYSA-N 437.543 4.020 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)N1CC(Oc2ccncc2)C1 611203100 UYXAHLNAOJRTCT-UHFFFAOYSA-N 438.871 4.159 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 615691548 USJRXZJNXJYWKZ-RKDXNWHRSA-N 434.358 4.320 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2nc3c(C)cc(C)cc3s2)cc1OC 619563869 LAJADUWTKQQIIT-UHFFFAOYSA-N 431.470 4.107 5 20 IIBD CCOC(=O)c1c(COC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])nc2ccccc2c1C 725934604 FPMLHLQGAVKLLC-UHFFFAOYSA-N 430.363 4.263 5 20 IIBD C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)cc1 727711195 DXEJKNJETPAENE-CYBMUJFWSA-N 437.905 4.064 5 20 IIBD COc1ccc([C@H](C)N(C)C(=O)c2ccc(I)c([N+](=O)[O-])c2)cc1 727747953 FJFGXBVKBYWWCW-NSHDSACASA-N 440.237 4.041 5 20 IIBD Cc1cc2nc(C)c(CCC(=O)OCc3cc([N+](=O)[O-])ccc3OC(C)C)c(C)n2n1 729116816 JHOIYFADZICZTH-UHFFFAOYSA-N 426.473 4.026 5 20 IIBD Cn1c(C(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)ccc1-c1ccc(F)cc1 729196090 XQNATUOLQPDPFK-UHFFFAOYSA-N 438.459 4.208 5 20 IIBD C[C@@H](Nc1ccc(C(=O)OCc2nc(-c3ccoc3)no2)cc1[N+](=O)[O-])c1ccccn1 729865113 FISMBSWJKNRHMC-CYBMUJFWSA-N 435.396 4.163 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl 730634726 DNCIIFCOZFEBFF-LLVKDONJSA-N 441.267 4.271 5 20 IIBD Cc1ccc(C[C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2I)c(C)c1 731180186 PSLHECWUOVGFOF-ZDUSSCGKSA-N 438.265 4.177 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 734782584 VRJMRWYDUVUKCW-CQSZACIVSA-N 437.279 4.497 5 20 IIBD O=C(N[C@@H](C(=O)OCc1cc(F)ccc1[N+](=O)[O-])c1ccccc1)OCc1ccccc1 738746714 ZAGZZEKUKOOSKS-OAQYLSRUSA-N 438.411 4.445 5 20 IIBD COc1cc(N2CCC(OC(=O)c3ccccc3Br)CC2)ccc1[N+](=O)[O-] 739383884 FBQVGTFGVWPSJO-UHFFFAOYSA-N 435.274 4.192 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(OC2CCCCC2)c(F)cc1N 741034677 WCBJXSRQYZMPJE-UHFFFAOYSA-N 445.447 4.132 5 20 IIBD C[C@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1nc(Cc2ccccc2)no1 741820018 JLLZMPMOAKWAPI-NSHDSACASA-N 432.230 4.249 5 20 IIBD CO[C@@H](C)c1noc(COC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)n1 747676592 JPZZCIDYEIKMRF-LBPRGKRZSA-N 446.847 4.308 5 20 IIBD Cc1c(CC(=O)OCC(=O)Nc2ccc(N3CCCCCC3)cc2)cccc1[N+](=O)[O-] 748479088 UGGIZVDSCKKENS-UHFFFAOYSA-N 425.485 4.008 5 20 IIBD Cc1c(C(=O)N(C)Cc2ccccc2OC(F)(F)F)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748702522 OKXGPFSUOAEEEH-UHFFFAOYSA-N 427.335 4.291 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1C[C@H]1c1ccc(Br)cc1 748904627 UJPDQDPSHBQZLA-JKSUJKDBSA-N 444.241 4.254 5 20 IIBD CCOCCO[C@H]1CCN([C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C1 750262250 KXTAIQALWJREKG-RXVVDRJESA-N 447.919 4.055 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N(Cc1ccccc1)C[C@H](O)c1ccco1 752775789 PAJCUSQWXGXJRV-IBGZPJMESA-N 444.871 4.373 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2ccc(N3CCCN(C)CC3)cc2)cc1[N+](=O)[O-] 753106076 RXHISSGHBJWHKK-UHFFFAOYSA-N 447.333 4.060 5 20 IIBD CC(C)(C)c1ccc([C@@H](O)CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1 755808840 ZVGRFLKZHKWCQM-SFHVURJKSA-N 435.318 4.047 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N(Cc1ccccc1)C[C@H](O)c1ccsc1 757181538 IOAPCHMZKPGNTA-FQEVSTJZSA-N 441.509 4.110 5 20 IIBD O=C(NCc1ccc(OC2CCCCC2)nc1)c1cccc([N+](=O)[O-])c1Br 758214016 NSUDHJPXWGQSQW-UHFFFAOYSA-N 434.290 4.394 5 20 IIBD COc1ccc(C(=O)[C@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1Cl 758469577 GGHPIZLNRXRHSD-VIFPVBQESA-N 442.649 4.448 5 20 IIBD CC(C)(C)OC(=O)c1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2Br)c1 759030300 UHKIHDIFBUDXGN-UHFFFAOYSA-N 435.274 4.243 5 20 IIBD C[C@@H](NC(=O)COC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(Br)cc1 763723306 HDKUJBCAFIWGTL-SNVBAGLBSA-N 441.665 4.045 5 20 IIBD COc1ccc(I)c(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c1 764218506 HJBMBRCMGASLMH-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD O=C(NCc1c(C(=O)O)sc2ccccc12)c1cc([N+](=O)[O-])ccc1N1CCCC1 767148825 GPLHCNWROAOMHL-UHFFFAOYSA-N 425.466 4.038 5 20 IIBD COc1cccc(COc2cccc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)c2C)c1 768888207 KWXSKJZORCLFAI-UHFFFAOYSA-N 434.495 4.353 5 20 IIBD CC1(C2CCN(C(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)CC2)OCCO1 768996213 QROHPOAUANNOHW-UHFFFAOYSA-N 427.457 4.394 5 20 IIBD C[C@@H](CC(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccncc1 769066011 KZDLFNJMMBGBRS-NWDGAFQWSA-N 425.363 4.073 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CCN(c2ncc(Cl)cc2Cl)CC1 770014217 BOKPJLJRDNCDFH-UHFFFAOYSA-N 430.679 4.304 5 20 IIBD CC[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@@H](O)c1c(F)cccc1F 771700566 LHIZPUDXXKEBNY-MLGOLLRUSA-N 447.207 4.017 5 20 IIBD COc1cccc(C(=O)OC[C@@H]2CCC(=O)N(C)[C@@H]2c2cccc(Cl)c2)c1[N+](=O)[O-] 774114494 ATLMPOLXZOMTHC-IFXJQAMLSA-N 432.860 4.023 5 20 IIBD CC(C)CCn1cc(C(=O)O[C@@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])nn1 774373720 PMRBZKCKKZCUBZ-INIZCTEOSA-N 439.310 4.040 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCC(O)(c3ccccc3C(F)(F)F)CC2)c([N+](=O)[O-])c1 775121054 NWUAINCMKDFQJS-UHFFFAOYSA-N 425.363 4.005 5 20 IIBD CC[C@@H](C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc(OC)cc1 775943256 RVWRTTIOYJGZKG-OAHLLOKOSA-N 440.374 4.298 5 20 IIBD Cc1csc(Nc2cccc(NC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)c2)n1 776705061 GIEFCLQVBHYDKK-UHFFFAOYSA-N 439.497 4.192 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCc2cc(COC(C)(C)C)on2)CC1 777011548 FZDQLBCAZWAWSS-UHFFFAOYSA-N 430.505 4.064 5 20 IIBD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nn1-c1cccc(Cl)c1 777153656 ASRJKYVRJBLLGH-GFCCVEGCSA-N 446.822 4.065 5 20 IIBD CC(=O)c1ccc(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)c(F)c1 777361764 HZBYEFCRKQYRTE-GOSISDBHSA-N 442.443 4.178 5 20 IIBD O=C(O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)c1csc(-c2ccc(F)cc2)n1 778811830 SEEUPPWWPZPDOW-HNNXBMFYSA-N 431.420 4.432 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2nc(C)sc2-c2ccccc2)c([N+](=O)[O-])c1 778855512 MODLVSPQNJWNLC-LBPRGKRZSA-N 441.465 4.219 5 20 IIBD C[C@@H](OC(=O)[C@@H](c1c(F)cccc1Cl)N(C)C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 780111335 YUKPDPONRRNBIT-PIGZYNQJSA-N 448.838 4.344 5 20 IIBD O=C(COC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)NCCC1CCCCC1 781258954 XNSOEHOMRGZVFH-UHFFFAOYSA-N 442.462 4.203 5 20 IIBD COc1ncc(Br)cc1COC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 781530986 XISLFZSSSWYQKA-UHFFFAOYSA-N 439.265 4.204 5 20 IIBD O=C(O[C@@H]1CCOC[C@H]1OCc1ccccc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 781565067 ONLBOEZROWDMBX-DNQXCXABSA-N 429.472 4.212 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 785013551 ANOJAEFSTZVFGY-AWEZNQCLSA-N 442.472 4.066 5 20 IIBD COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1N)CCO2 787054232 VCUKTDUQGBKDKD-JOCHJYFZSA-N 433.464 4.352 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(I)c1)c1nc(Cl)ccc1Cl 788107588 HEMHUZIJASXUTE-UHFFFAOYSA-N 438.008 4.154 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2cccc(CNC(=O)OC(C)(C)C)c2)c1[N+](=O)[O-] 790634471 NCXGRPRDHFAMHY-UHFFFAOYSA-N 435.502 4.037 5 20 IIBD CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 791131856 JBOYVGOSOXDTDN-IBGZPJMESA-N 426.847 4.287 5 20 IIBD O=C(c1sccc1Br)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791171171 AUNOHJQGPQNQNU-UHFFFAOYSA-N 446.120 4.380 5 20 IIBD COc1ccccc1[C@@H](C)CC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791173685 DSAUKQQZNPSTKJ-ZDUSSCGKSA-N 433.302 4.444 5 20 IIBD COc1cc(OC)c(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cc1Cl 791430444 BFWBWHDYAGJSKV-UHFFFAOYSA-N 441.676 4.373 5 20 IIBD COc1cc(CN2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c([N+](=O)[O-])cc1OCC(F)F 792908281 LZHFZSFCGVTULE-GOEBONIOSA-N 425.259 4.263 5 20 IIBD O=c1oc2cccc([N+](=O)[O-])c2n1CN1CCC(c2nc3cc(Cl)ccc3o2)CC1 794623549 NBLUALPKFNNVIZ-UHFFFAOYSA-N 428.832 4.134 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@H](CCO)Cc3ccccc3)cc2[N+](=O)[O-])n1 799810915 GKPDHPHKBJPCRR-QGZVFWFLSA-N 443.550 4.234 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)N(C)[C@H](C)C2CCCCC2)cc1[N+](=O)[O-] 802614453 DKWWVBYUHNTKTC-GFCCVEGCSA-N 426.311 4.031 5 20 IIBD COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 804323460 SVMXSNDQHSLQOR-BEFAXECRSA-N 427.457 4.444 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H](C)c1ccc(Oc2cccnc2)cc1 807542411 SSZONVOSLMMVQH-AWEZNQCLSA-N 438.415 4.046 5 20 IIBD C[C@H](OC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 808228576 UXTLOCYIPAUYOP-KPZWWZAWSA-N 432.395 4.389 5 20 IIBD CCN(C)C(=O)CSc1ccc([C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1 809074632 DQEDEKMEMPLTLR-AWEZNQCLSA-N 432.498 4.092 5 20 IIBD NC(=O)c1ccccc1CCc1nc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)no1 809362689 GZMUCWXCGVAJMS-UHFFFAOYSA-N 430.420 4.321 5 20 IIBD C[C@]1(c2cc(F)cc(F)c2)NC(=O)N(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1=O 809959524 JFILWXGZDQNLBV-QGZVFWFLSA-N 430.194 4.147 5 20 IIBD CC(C)[C@@H](c1ccccc1)N(C)C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810363725 BFIXRKYXNHMWFX-KRWDZBQOSA-N 434.290 4.152 5 20 IIBD O=C(COC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1cnc(N2CCCCC2)s1 811374529 JSNGJOQZPZGCLW-UHFFFAOYSA-N 444.296 4.388 5 20 IIBD CC(C)(C)OC(=O)N1CCC(c2ccccc2)(c2nc(CCC(C)(C)[N+](=O)[O-])no2)CC1 812814713 NJCVALTXXIBMJW-UHFFFAOYSA-N 444.532 4.375 5 20 IIBD CCOc1ccc([C@H](O)C2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 812865540 GCJQDYJPISTMFQ-QFIPXVFZSA-N 447.919 4.031 5 20 IIBD COc1ccc(C(=O)O[C@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)cc1-c1ccccn1 813174572 XYLKEJRJEXVCSN-FQEVSTJZSA-N 433.464 4.097 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl 813291173 CGOUGJGAPMIQIU-UHFFFAOYSA-N 439.921 4.092 5 20 IIBD C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 815512164 KMCQJWQTSNVGFP-JTQLQIEISA-N 446.328 4.268 5 20 IIBD Cc1ccc(F)cc1NC(=O)[C@@H](C)OC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 826131457 SYHXOVPTBZCCCH-MRXNPFEDSA-N 443.475 4.463 5 20 IIBD CC(=O)c1cccc(NC(=O)[C@H](OC(=O)CSc2ccccc2[N+](=O)[O-])C(C)C)c1 877869188 APYJGNHZAVHIOT-HXUWFJFHSA-N 430.482 4.096 5 20 IIBD O=C(NC(Cc1ccccc1)Cc1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 914492266 VNEVOOAPCOBJPM-UHFFFAOYSA-N 445.519 4.015 5 20 IIBD COc1ccc(OC)c([C@H](O)CNCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)c1 915224732 JDVOJVDWTWVPAC-HSZRJFAPSA-N 437.496 4.203 5 20 IIBD O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1cc([N+](=O)[O-])ccc1I 915280048 ZVFMFDPJEGHWDH-JHJVBQTASA-N 428.270 4.288 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(C)[C@H](C)c1cccc(C(F)(F)F)c1 915663347 KNPUHADBGOXXBF-GFCCVEGCSA-N 440.374 4.033 5 20 IIBD COc1cc(C(=O)OCCc2cnccn2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 919668593 XZTLNWXLIDOEHH-UHFFFAOYSA-N 429.816 4.239 5 20 IIBD O=C(Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-])c1ccc(N2CCCS2(=O)=O)cc1 920329321 IACCORFNOWJVEA-UHFFFAOYSA-N 438.461 4.021 5 20 IIBD C[C@H](Nc1ccc(C(=O)O[C@H](C)C(=O)N2CCCCCC2)cc1[N+](=O)[O-])c1ccccn1 920545168 GFXKONXYZYLZDX-DLBZAZTESA-N 440.500 4.111 5 20 IIBD O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)Oc1cc(Cl)ccc1[N+](=O)[O-] 921140473 QPYIXVQRTTVBSB-UHFFFAOYSA-N 447.881 4.354 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1cc(Cl)c(Cl)cc1Cl 1116722733 POTQSJJSZVYBKE-UHFFFAOYSA-N 440.644 4.109 5 20 IIBD CCOc1ccc(CN(C)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC 1318084631 ZLWICCUEEZACOF-UHFFFAOYSA-N 427.482 4.398 5 20 IIBD O=C(CSc1nnc(-c2ccc3ccccc3c2)o1)N1Cc2ccc([N+](=O)[O-])cc2C1 1319123074 HSRWPAQQXKKINM-UHFFFAOYSA-N 432.461 4.433 5 20 IIBD C[C@@H](OC(=O)[C@@H](C)OC1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1320892421 QEJFNBLLQGTEDW-VXGBXAGGSA-N 432.395 4.222 5 20 IIBD Cc1cc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])ccc1N1CCN(C)CC1 1323706694 VIKBDDHZHHHHOA-UHFFFAOYSA-N 434.949 4.039 5 20 IIBD Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4n[nH]cc4[N+](=O)[O-])cc3)CCC2)c1 1789687759 SFVRZWANHUUETJ-UHFFFAOYSA-N 447.495 4.007 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(Cl)c2)CC1 1829967642 FWZAJENKKVRBOH-GOSISDBHSA-N 445.903 4.388 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)OCC(=O)NCc3ccco3)cc2[N+](=O)[O-])cc1 3538233 MLIHRQKLQATWKD-UHFFFAOYSA-N 426.450 4.121 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(NC(=O)c2cccs2)c1 9890564 PKFWDIVDOGYXBT-UHFFFAOYSA-N 444.900 4.404 5 20 IIBD Cc1cc(C)c2c3c(sc2n1)C(=O)N[C@@H](c1ccc(Br)c([N+](=O)[O-])c1)N3 15502564 SLYBVVFEFILEMC-HNNXBMFYSA-N 433.287 4.438 5 20 IIBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(Oc2ccccc2Cl)cc1 16303321 ZZYFVCCJGDITSF-UHFFFAOYSA-N 425.828 4.409 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(C)(C)C)cc1 16643527 QHCCDBXNIQKWHK-IBGZPJMESA-N 429.542 4.383 5 20 IIBD CCOc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)c([N+](=O)[O-])c1 17269870 YBVPELVUFIKLMD-UHFFFAOYSA-N 445.526 4.379 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(SC(F)(F)F)cc1 18656304 WXRLHGXNKMNDNI-UHFFFAOYSA-N 430.360 4.011 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCN(Cc4ccncc4)CC3)cc2[N+](=O)[O-])cc1 21445777 HJIXPRDGMBDQPM-UHFFFAOYSA-N 448.548 4.407 5 20 IIBD CCOC(=O)c1cc(C(=O)O[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)cc([N+](=O)[O-])c1 22437904 SFHRQQXUXKPRQN-CYBMUJFWSA-N 448.859 4.226 5 20 IIBD COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 30911671 FZZMAHQKLSOFJO-DEOSSOPVSA-N 446.507 4.105 5 20 IIBD C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C2CC2)o1 31740133 NSIVOZXZEYGORL-KDOFPFPSSA-N 439.468 4.191 5 20 IIBD NC(=O)c1ccc(SCC(=O)Nc2c(F)cc(F)cc2-c2ccccc2)c([N+](=O)[O-])c1 59585341 IBAZNRPPDHUHMC-UHFFFAOYSA-N 443.431 4.370 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 61197635 UHENHVXYPQBKMP-UHFFFAOYSA-N 434.500 4.411 5 20 IIBD Cc1cccc(COc2ccc(CNC(=O)C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cc2)c1 62048428 YELXYTBWIPCAKI-UHFFFAOYSA-N 433.464 4.046 5 20 IIBD COc1cc(C(=O)NCCCOc2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OC 63261714 XIQJVTSLUMIKEZ-UHFFFAOYSA-N 429.256 4.118 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccc(Br)o2)c1 107848767 XOVFCKRIQTXVDW-UHFFFAOYSA-N 430.214 4.455 5 20 IIBD O=C(NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 116004031 LEAWHPMLVFOWPM-INIZCTEOSA-N 428.920 4.105 5 20 IIBD CCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(S(=O)(=O)C(F)(F)F)cc1 116548863 HSCKINBLCDBRIY-UHFFFAOYSA-N 436.795 4.208 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCc1cc(F)ccc1Br 301253698 QMJGTDHHELVTAU-UHFFFAOYSA-N 439.209 4.105 5 20 IIBD CCS[C@@H](C)c1noc(CN(C)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 426283291 WOYZHTBEVBGSLF-JTQLQIEISA-N 447.439 4.152 5 20 IIBD NC(=O)[C@@H]1Cc2ccccc2N(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 426452565 XAAFFKAVSKNIKY-QGZVFWFLSA-N 433.489 4.050 5 20 IIBD CC(C)(NC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1ccc([N+](=O)[O-])cc1 430553870 PSGZORJKALPJHA-HNNXBMFYSA-N 449.429 4.014 5 20 IIBD Cc1oncc1C(=O)Nc1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 431023524 HWMPGTSCERGNJM-UHFFFAOYSA-N 445.229 4.158 5 20 IIBD CC[C@@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCc2ccccc2C1 436100895 IZCYBRUMAAFGDS-NRFANRHFSA-N 425.532 4.248 5 20 IIBD CC(C)CNC(=O)N1CCC[C@@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)C1 440605705 NTWGEBIDSOJEEJ-HXUWFJFHSA-N 438.528 4.206 5 20 IIBD COc1cc(CS(=O)(=O)[C@@H]2CCc3c(Cl)cccc32)c([N+](=O)[O-])cc1OC(F)F 443447946 SRBVLHHOGAUGAQ-QGZVFWFLSA-N 447.843 4.461 5 20 IIBD CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)c1 443828124 NUKLMYBUKYDEQV-UHFFFAOYSA-N 431.420 4.132 5 20 IIBD O=C(NCc1ncc(-c2ccccc2)[nH]1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444643585 ZVSKQEBGNIPXNX-UHFFFAOYSA-N 430.414 4.280 5 20 IIBD O=C(Cc1noc(CCNc2ccccc2[N+](=O)[O-])n1)Nc1ccc(Cl)cc1Cl 445380465 KCOODNOOFLWXLI-UHFFFAOYSA-N 436.255 4.120 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3nc(C(C)C)n(-c4cccc(F)c4)n3)n2)c1 445578558 GVZPDMPAUOCVCO-UHFFFAOYSA-N 438.419 4.087 5 20 IIBD CCN(CC)C(=O)c1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1 445653245 VZWMAIDVSLMXRS-UHFFFAOYSA-N 434.290 4.021 5 20 IIBD CSc1ccc(C(=O)Nc2ncnc3c2c(C)c(C)n3C[C@@H]2CCCO2)cc1[N+](=O)[O-] 445960044 NPBSANCFDFBWNU-HNNXBMFYSA-N 441.513 4.110 5 20 IIBD COc1cc(C(=O)N[C@@H](CC(F)(F)F)C(C)C)c([N+](=O)[O-])cc1OCc1cscn1 446605034 KPXYYXSCJSDAPD-ZDUSSCGKSA-N 447.435 4.346 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCn2c(cc3ccc(Cl)cc32)C1 447399492 WLFQKSJCZKGGKU-UHFFFAOYSA-N 426.860 4.017 5 20 IIBD COC(C)(C)C[C@@H](C)NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 460280035 IWGLJKFRYXFERR-CYBMUJFWSA-N 431.455 4.150 5 20 IIBD NC(=O)c1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1F 461212146 JRAHPVFQNZECBI-UHFFFAOYSA-N 434.221 4.467 5 20 IIBD Cc1cc(=O)c(C(=O)Nc2ccccc2CCC(F)(F)F)nn1-c1ccccc1[N+](=O)[O-] 465152666 TXRULENXBPUXDK-UHFFFAOYSA-N 446.385 4.196 5 20 IIBD O=C(N[C@H](c1ccccc1)[C@H]1CCCO1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465833825 LVNCEIGEYYZYNY-FGZHOGPDSA-N 425.485 4.068 5 20 IIBD CS(=O)(=O)c1cccc([C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccc(F)cc2)c1 466410175 PIQXWOPZQWPAAV-FQEVSTJZSA-N 443.456 4.049 5 20 IIBD COc1ccc(S(=O)(=O)NCC[C@H](C)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 467784772 IITFVOUYYDDINS-LBPRGKRZSA-N 432.420 4.094 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(I)ccc1Cl 471103660 JETXGNVBTLXGQV-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCOc2ccc(C(F)(F)F)cc21 472901634 UKCPUKPWBZQTTC-UHFFFAOYSA-N 431.164 4.415 5 20 IIBD Cn1ncc([N+](=O)[O-])c1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 474777452 VVHJYBQBUVGGPU-UHFFFAOYSA-N 436.859 4.016 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 475581793 HEKBTNNPHCNSTL-UHFFFAOYSA-N 431.452 4.454 5 20 IIBD COc1cc(CCNC(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1OC 476985799 DFCWVDZNIMETHD-ZCNNSNEGSA-N 439.512 4.132 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC[C@@H]3[C@H]3CCCC3=O)cc2[N+](=O)[O-])n1 478661454 KWCKTKACTAZLFJ-HUUCEWRRSA-N 431.539 4.485 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@H]3CCC(F)(F)C3)cc2)cc1[N+](=O)[O-] 479343405 AVDHYWPTSWGMPN-ZDUSSCGKSA-N 439.440 4.078 5 20 IIBD C[C@H](NCCCNC(=O)c1cccc(O)c1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 482040388 JXGLOWODCZKNKS-HNNXBMFYSA-N 425.510 4.500 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCC1(N2CCSCC2)CCCCC1 482763975 SBDJFESOMQQAGD-UHFFFAOYSA-N 449.620 4.023 5 20 IIBD O=c1c(Cl)c(N2CCC[C@@H]2Cc2ccc(F)cc2)cnn1-c1ccc([N+](=O)[O-])cc1 484821611 OKXLYOONSYWRMF-GOSISDBHSA-N 428.851 4.145 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C(=O)Nc2cccnc2)cc1 485403676 DNBYHCRSRZUFQP-UHFFFAOYSA-N 436.493 4.284 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 485535480 YDOCDHSVAQUVER-OAHLLOKOSA-N 426.448 4.085 5 20 IIBD C[C@H](C(=O)NC(C)(C)C)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 485715410 APEXVVZZOPFIME-QGZVFWFLSA-N 435.528 4.183 5 20 IIBD CCN1CCN(c2ccc(Cl)cc2NC(=O)c2cccc(SC)c2[N+](=O)[O-])CC1 485744015 DMTDHCBQRAXLCS-UHFFFAOYSA-N 434.949 4.364 5 20 IIBD CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cccc(SC)c1[N+](=O)[O-] 485753794 QLKXIFQHLFVGLW-UHFFFAOYSA-N 441.431 4.225 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSCc1ccn(-c2ccc(F)cc2F)n1 485911373 BDQWLSXJNOFRGP-UHFFFAOYSA-N 446.435 4.290 5 20 IIBD COC(=O)c1cc(NC(=O)c2cccc(Br)c2Cl)c(C)c([N+](=O)[O-])c1 485951843 CJIGMQOXARUKLN-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD O=C(c1ccc(F)c(I)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 486115084 AAMUIYPXJGVKOZ-UHFFFAOYSA-N 440.212 4.143 5 20 IIBD O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1cc([N+](=O)[O-])ccc1OC(F)F 487674274 KLTHUGLBICJMKS-UHFFFAOYSA-N 449.391 4.343 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)n2)cc1F 488154142 XZCYNZSQSVIFTF-SNVBAGLBSA-N 436.346 4.185 5 20 IIBD CCOC(=O)c1ccnc(N2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)c1[N+](=O)[O-] 488481287 SYGDGEGWBPQBPH-WBMJQRKESA-N 439.390 4.152 5 20 IIBD Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)cc12 490346204 SUUIGOBXNOQSPE-UHFFFAOYSA-N 445.464 4.341 5 20 IIBD O=C(Nc1ccccc1Nc1ccc(F)cc1F)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 494149825 SSMUTXYMIKAPHH-UHFFFAOYSA-N 436.378 4.450 5 20 IIBD COc1ccc([C@@H](CCn2cncn2)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 494490749 BBLUMSMCKGCRCH-LJQANCHMSA-N 435.406 4.135 5 20 IIBD O=C(NCC1(c2ccc(Cl)cc2)CCCC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 495160682 XHJTZCYCTFRHCT-UHFFFAOYSA-N 431.924 4.303 5 20 IIBD COc1ccccc1COC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 496724403 UQLAOYDNRRSZDP-UHFFFAOYSA-N 438.402 4.444 5 20 IIBD O=C(NCc1ccc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1)C1CCCC1 498148981 AHFKMMMVKAYRTI-HSZRJFAPSA-N 439.537 4.289 5 20 IIBD CCC[C@@H]1SCCN1C(=O)c1ccc(C(=O)N2CCS[C@@H]2CCC)cc1[N+](=O)[O-] 499044165 XWOPRBNAYKINGV-MSOLQXFVSA-N 437.587 4.225 5 20 IIBD Cc1ccc(Br)cc1NC(=O)CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 501818525 FYZYIHWDYLAYQF-UHFFFAOYSA-N 448.317 4.332 5 20 IIBD O=C(NC1CCN(Cc2coc(-c3ccccc3)n2)CC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 506053607 KWQBPVHIPWEWCJ-UHFFFAOYSA-N 445.479 4.126 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN[C@@H](c1c(F)cccc1F)C(F)(F)F 506321515 QEEKGBKMSHESPB-INIZCTEOSA-N 431.317 4.064 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccc(F)cc1Br 507486902 QAGOOQXEVRMPJZ-UHFFFAOYSA-N 439.284 4.373 5 20 IIBD COc1cc(C(=O)N[C@H](C)c2ccc(F)c(Br)c2)cc([N+](=O)[O-])c1OC 507694079 KCWCNMWFOCUGTG-SECBINFHSA-N 427.226 4.005 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N(CCc2ccccc2)Cc2ccncc2)cc1OC 507939161 LZDROHMEDFLBFL-UHFFFAOYSA-N 435.480 4.282 5 20 IIBD Cn1nc(C2CCCCC2)cc1NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 509917642 PBHHCRIZPLAHTH-UHFFFAOYSA-N 427.505 4.251 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(SCc3ccccc3)cn2)cc1[N+](=O)[O-] 513783994 IYBFDNKMAONKAB-UHFFFAOYSA-N 431.495 4.092 5 20 IIBD CC(=O)Nc1ccc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c(C(F)(F)F)c1 513813842 MOXWACLGUPDTKS-UHFFFAOYSA-N 427.404 4.444 5 20 IIBD CCOC(=O)c1sc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1C 514421323 OFUTWGGAMBRTTG-UHFFFAOYSA-N 432.376 4.335 5 20 IIBD COc1cccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)CC2)c1 514595064 FWRHYZKQDFOHCL-UHFFFAOYSA-N 446.507 4.178 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccccc2COCc2ccccc2)c([N+](=O)[O-])c1 515630825 FPEKNBYSQPXCNY-UHFFFAOYSA-N 428.466 4.121 5 20 IIBD O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]1c1cccc(Br)c1 517590713 WNISVMDSROXBBW-IAGOWNOFSA-N 427.258 4.285 5 20 IIBD CC[C@@H](C)[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])C(=O)N1CCC(Cc2ccccc2)CC1 518115457 DKXWBVTVNJKHMU-WZONZLPQSA-N 437.540 4.221 5 20 IIBD COc1ccc(Nc2nnc(S[C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)s2)cc1 518789355 OKEILDGLBKYJCR-INIZCTEOSA-N 443.510 4.096 5 20 IIBD CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)N1CCc2ccccc2C1 524606792 HLUWFGFHLAXSNI-HXUWFJFHSA-N 446.345 4.170 5 20 IIBD O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)c1ccc(NC2CC2)c([N+](=O)[O-])c1 524645034 BUKSOJNHLLCNTH-UHFFFAOYSA-N 444.797 4.045 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N2C[C@H](C)S[C@H](C)C2)c([N+](=O)[O-])c1 524684858 YUAUOLWUABYMPE-IYBDPMFKSA-N 435.571 4.140 5 20 IIBD CCN1CC[C@H](N(C)C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C[C@@H]1C 524879793 IFLHIEYDMYFOSK-LNLFQRSKSA-N 425.533 4.108 5 20 IIBD CCOC(=O)c1cc(C(=O)N(Cc2ccc(OC)cc2)c2ccncc2)cc([N+](=O)[O-])c1 525351216 PTPINRPHHGGYSX-UHFFFAOYSA-N 435.436 4.022 5 20 IIBD O=C(O)c1cc(C(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)cc([N+](=O)[O-])c1 532260177 PDBQPMNPTDJEDR-HXUWFJFHSA-N 429.432 4.336 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(OC(F)(F)F)cc1Br 535335805 OJIIVPQKNKHCBE-UHFFFAOYSA-N 435.152 4.273 5 20 IIBD CS(=O)(=O)c1ccc(OCCCSCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 535508082 MIQIKEDOPKLWNZ-UHFFFAOYSA-N 448.522 4.356 5 20 IIBD Cc1cc(F)c(NC(=O)NCCc2cccc([N+](=O)[O-])c2)c(I)c1 536565302 GEWMOFMBEDNPQN-UHFFFAOYSA-N 443.216 4.011 5 20 IIBD COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 537885363 CRQHPJPZZQMFQL-BFUOFWGJSA-N 427.482 4.233 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 539892516 GGHWIOCCIJBXFR-UHFFFAOYSA-N 430.289 4.143 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cn(C)cc(Br)c1=O 541008206 CUPIGUFJZCONJS-UHFFFAOYSA-N 440.319 4.201 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3nc4c(s3)CN(C(C)C)CC4)cc2[N+](=O)[O-])CC1 542201778 VTNCAVJHRYODIU-UHFFFAOYSA-N 443.573 4.306 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC1CCC(c2ccc(F)cc2)CC1 542862530 CINSQRBPPXQMBC-UHFFFAOYSA-N 441.459 4.265 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCCN(c3nccs3)CC2)cc1OC 542914104 AFOOAUNGVIPXCC-MRXNPFEDSA-N 434.562 4.197 5 20 IIBD CCCCCn1nc(-c2nc(Cc3cccc([N+](=O)[O-])c3C)no2)c2ccccc2c1=O 545073496 DGQRWUOXURKMSO-UHFFFAOYSA-N 433.468 4.444 5 20 IIBD Cc1nc([N+](=O)[O-])cn1Cc1nc(-c2ccccc2-c2ccc(Cn3cccn3)cc2)no1 545621225 DPBOLUFACDYRMV-UHFFFAOYSA-N 441.451 4.110 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCOC2(CCOCC2)CC1 547397144 ZVWFFRYYKDDRSB-UHFFFAOYSA-N 427.457 4.191 5 20 IIBD O=C(c1ccc(Sc2ccc(Cl)cc2)o1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 547861450 MCMOSEOGAVLXAJ-UHFFFAOYSA-N 444.900 4.350 5 20 IIBD C[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCCO2)CC12CCC2 549643685 MIOCFVWHYQLALF-PXNSSMCTSA-N 425.533 4.439 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NC[C@H]3CC[C@@H](c4nc(C)no4)O3)c([N+](=O)[O-])c2)cc1 553207556 QYIYHOWAWRCNOS-XLIONFOSSA-N 437.456 4.179 5 20 IIBD COC(=O)c1cc(C(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)cc([N+](=O)[O-])c1 554079802 DZILDLDEEZPYHZ-UHFFFAOYSA-N 425.416 4.022 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(C(=O)Cc2ccccc2)C1 558729191 IYQCTSNRAWRHOX-SFHVURJKSA-N 441.553 4.059 5 20 IIBD Cc1ccc(-c2cncc(F)c2)cc1NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 559010806 KTVAIXXQVITUIK-UHFFFAOYSA-N 448.454 4.234 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1[N+](=O)[O-] 560223628 HHYDCHAGYPDYMN-UHFFFAOYSA-N 442.903 4.324 5 20 IIBD CCc1[nH]nc(C(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)c1[N+](=O)[O-] 569915044 VOFFKHGHZWKXNM-UHFFFAOYSA-N 425.392 4.199 5 20 IIBD CC(C)(C)[C@@H](NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(F)cc1F 571441342 DBESNACNPRUVNH-FQEVSTJZSA-N 445.466 4.268 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCc2ccc(C)cc21 573644321 VAAPWDCGMIVHKF-IBGZPJMESA-N 428.510 4.366 5 20 IIBD CC(C)(NC(=O)c1ccccc1)c1noc(-c2cc(Br)cc([N+](=O)[O-])c2)n1 577717145 KVQNVKTWSLWMLF-UHFFFAOYSA-N 431.246 4.072 5 20 IIBD Cn1c(S[C@@H](C(=O)Nc2ccccc2)c2ccccc2)nc2cc([N+](=O)[O-])ccc2c1=O 579539832 WFLKPTJVIIIAPF-HXUWFJFHSA-N 446.488 4.314 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)Cc2cc(Br)ccc2F)c1 583036920 AKKCMDGBEOJTRV-NSHDSACASA-N 425.254 4.256 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1(c2noc(C(F)(F)F)n2)CCCC1 588837524 MJVALUGKIJZJMC-JTQLQIEISA-N 430.408 4.063 5 20 IIBD CNc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCc3sccc3C2)cc1[N+](=O)[O-] 603667784 LELJMBFRHRHLGB-OAQYLSRUSA-N 436.537 4.227 5 20 IIBD CCN(CC)[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccsc1 603829829 TWPPXXCGGTYDOV-HNNXBMFYSA-N 428.461 4.462 5 20 IIBD O=C(Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 604470318 QUKYRPUOYCLZDH-HNNXBMFYSA-N 446.492 4.157 5 20 IIBD CC(C)(NC(=O)c1ccc([N+](=O)[O-])cc1I)c1cccc(F)c1 609912135 RMINSSRVTYWOPV-UHFFFAOYSA-N 428.201 4.004 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CCCN(C)c4cc(F)ccc43)cc2)c(C)c1[N+](=O)[O-] 609978109 CGIIHMUVQPRJPH-UHFFFAOYSA-N 437.475 4.082 5 20 IIBD Cc1ccc(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c(N2CCCC2)n1 611582837 MPUUJRYIHDTRRB-UHFFFAOYSA-N 445.523 4.441 5 20 IIBD CC(C)=C[C@H]1[C@H](C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)C1(C)C 613261738 XTZAKSBAFTWSAB-GOEBONIOSA-N 435.527 4.061 5 20 IIBD CCOc1ccc([C@@H]2CCCN2C(=O)c2cc(OC)c(OCCOC)cc2[N+](=O)[O-])cc1 619564994 ZECLCPUXRQEBIU-IBGZPJMESA-N 444.484 4.005 5 20 IIBD O=C(NC1CCN(Cc2coc(-c3ccccc3)n2)CC1)c1cc(Cl)ccc1[N+](=O)[O-] 725745506 BETRXRGCRXKQAN-UHFFFAOYSA-N 440.887 4.298 5 20 IIBD CC(C)(C)c1nc(CC(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cs1 726834115 CDTDDHHHTFLGJZ-UHFFFAOYSA-N 445.419 4.092 5 20 IIBD C[C@H](OC(=O)Cc1c[nH]c2cc(Cl)ccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 727911980 YLNDPLQDDNLQLB-JTQLQIEISA-N 436.251 4.496 5 20 IIBD COc1ccc(CNC(=O)c2cc(-c3cccnc3)nc3ccc(C)cc23)cc1[N+](=O)[O-] 730482029 MOUUUTCISADQIS-UHFFFAOYSA-N 428.448 4.452 5 20 IIBD C[C@@H](OC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)no1)C(=O)Nc1ccc([N+](=O)[O-])cc1 730858744 HAQZVUAEPHDVCX-LLVKDONJSA-N 449.341 4.453 5 20 IIBD Cc1c(C(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 731337174 PPUCLPVYGQDXQK-UHFFFAOYSA-N 433.783 4.101 5 20 IIBD CC1=C(C(=O)Nc2cccc(C)c2C)[C@@H](c2cc([N+](=O)[O-])c(F)cc2F)NC(=S)N1C 731432267 SVJOMXJTKJZTNH-LJQANCHMSA-N 446.479 4.264 5 20 IIBD CC(C)(C)OC(=O)NC1(c2noc(Cn3ccc4cc([N+](=O)[O-])ccc43)n2)CCCC1 731799992 OLZLPUSGMOHJSS-UHFFFAOYSA-N 427.461 4.275 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](Nc1ccc(OCCO)cc1)c1ccccc1 732229055 UXQSYDGURDQFQB-OAQYLSRUSA-N 441.871 4.411 5 20 IIBD CC[C@H](Sc1ccccc1)C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 732504664 ACPGQKWDCLBJOC-JXFKEZNVSA-N 428.510 4.314 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)CN(C)c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 733590488 DEDDWNGDOCNIFK-HSZRJFAPSA-N 433.464 4.263 5 20 IIBD CCc1nc(C(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)nn1-c1ccccc1 735435682 YPGVDRAJJZIYHC-UHFFFAOYSA-N 425.876 4.448 5 20 IIBD CC(C)Oc1c(Cl)cccc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 735637154 BUKQNTZPFNZWIJ-LBPRGKRZSA-N 435.839 4.166 5 20 IIBD O=C(COC(=O)CCc1cc(Cl)cs1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 736944088 TVFJTPNNHNZVJE-UHFFFAOYSA-N 436.795 4.443 5 20 IIBD C[C@@H](Cc1ccccc1F)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 737543372 SSBQACLMTGIGIC-AWEZNQCLSA-N 439.409 4.280 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 741204446 IPFMGRPZIBYGPO-UHFFFAOYSA-N 441.915 4.292 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1I)N1CCC(C2CCCC2)CC1 742791696 SSLAALPYVGWTMT-UHFFFAOYSA-N 428.270 4.242 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 743629266 KHLFFICEEZBFOU-UHFFFAOYSA-N 436.346 4.049 5 20 IIBD CC(C)CO[C@@H](C)c1noc(COC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1 744894121 DEEAQZVXRQWUBH-LBPRGKRZSA-N 432.458 4.192 5 20 IIBD O=C(COC(=O)COc1ccc([N+](=O)[O-])c(F)c1)N[C@H](c1ccccc1)C1CCCCC1 746608101 ULKWVLBKUWITHW-HSZRJFAPSA-N 444.459 4.094 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 748528598 DLZNBFMBSUMVAV-OALUTQOASA-N 449.573 4.468 5 20 IIBD O=C(NC[C@@H](O)COc1cccc(F)c1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 755495017 IRNRLJMBKDCCIC-GOSISDBHSA-N 448.516 4.186 5 20 IIBD C[C@H]1CC(OC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)C[C@H](C)O1 756036672 IRLOFSUNNIDHTE-GJZGRUSLSA-N 426.469 4.005 5 20 IIBD COc1ccc([C@H]2CCCCCN2C(=O)COC(=O)CCc2cccc([N+](=O)[O-])c2)cc1 756535404 KYYFXXBFOQRWKS-JOCHJYFZSA-N 440.496 4.223 5 20 IIBD C[C@@H](OC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 756750236 MJGQAPLJQKKOBT-RFAUZJTJSA-N 438.223 4.289 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2c1CN(c1ccccn1)C2 756937782 DPXXVZJPNOSODX-UHFFFAOYSA-N 444.900 4.273 5 20 IIBD Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1cccc([N+](=O)[O-])c1Br 757916064 PWZNXXCUJLFAJJ-RDJZCZTQSA-N 430.302 4.114 5 20 IIBD COc1cc(CNc2ccccc2[C@@H](O)C(F)(F)F)c([N+](=O)[O-])cc1OCC(F)F 758110352 VZIHTJKQZRYBMR-QGZVFWFLSA-N 436.333 4.455 5 20 IIBD C[C@@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccc(OC(F)F)cc1 762986984 BCTOKIKBSDSBTK-LLVKDONJSA-N 440.374 4.183 5 20 IIBD O=C(OCc1coc(-c2ccc(Cl)cc2)n1)c1cc([N+](=O)[O-])ccc1SCCO 763747044 PWZLGVGHLBAFOG-UHFFFAOYSA-N 434.857 4.345 5 20 IIBD CN([C@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 765161498 VCELGEUQAAHDTR-INIZCTEOSA-N 425.304 4.055 5 20 IIBD C[C@@](O)(CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1cccc(Cl)c1 765230658 QNWAWWWHHROIGA-MRXNPFEDSA-N 428.670 4.040 5 20 IIBD CCN(CC1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1)C(=O)OC(C)(C)C 765839359 IKQIXWSPHLHKJA-UHFFFAOYSA-N 442.516 4.252 5 20 IIBD O=C(NS(=O)(=O)CCCC(F)(F)F)c1cc([N+](=O)[O-])ccc1SC1CCCC1 766674276 DAWOUYCYKIHOOG-UHFFFAOYSA-N 440.465 4.032 5 20 IIBD COc1cc(C(=O)OCc2nc3cc(C(F)(F)F)ccc3o2)c([N+](=O)[O-])cc1OC 767234840 TWOPLQJTSNEPNJ-UHFFFAOYSA-N 426.303 4.129 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc(Br)c(Cl)c1F 769516595 MBNNGBWAKZAIRM-UHFFFAOYSA-N 445.628 4.254 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)cc1OS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 769674119 SVXVHIRRMXUKHN-UHFFFAOYSA-N 426.422 4.157 5 20 IIBD Cc1cc(S(=O)(=O)Oc2cccc(NC(=O)c3ccccc3)c2)cc([N+](=O)[O-])c1F 771735229 ROXUXKONXWJJIT-UHFFFAOYSA-N 430.413 4.062 5 20 IIBD O=C(CCOCC(F)(F)C(F)(F)F)OCc1ccc(Br)c([N+](=O)[O-])c1 773467725 SACRSRCHVNYYRR-UHFFFAOYSA-N 436.127 4.005 5 20 IIBD Cc1cccc(NC(=O)c2ccccc2NC(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)c1 775196446 ZMGUJXGNMRHUMA-QGZVFWFLSA-N 432.480 4.445 5 20 IIBD O=C(Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1)c1ccn(C(F)F)n1 775645974 CUXVLNOSHJWVON-UHFFFAOYSA-N 436.758 4.311 5 20 IIBD O=[N+]([O-])c1cccc(NS(=O)(=O)Cc2ccccc2C(F)(F)F)c1Br 776484041 CWEMQGXNTFEWNA-UHFFFAOYSA-N 439.209 4.318 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)ccc1N1CCSCC1 777934050 RVPBJJYAJXVCKL-UHFFFAOYSA-N 445.925 4.050 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)C1CCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 777954915 FAHFEYPTUKEPLQ-INIZCTEOSA-N 429.521 4.041 5 20 IIBD O=C(CCc1ncc(-c2ccccc2F)o1)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 778799912 QPPZDYQLZMCECF-QGZVFWFLSA-N 425.416 4.144 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)CC3)cc1[N+](=O)[O-] 782735258 SHNJKODVZHLUIT-NJAFHUGGSA-N 432.521 4.148 5 20 IIBD COc1ccc(-c2noc([C@@H](C)OC(=O)c3cccc([N+](=O)[O-])c3Br)n2)cc1 784632959 SOQTXWQTXLZNEP-SNVBAGLBSA-N 448.229 4.334 5 20 IIBD C[C@@H](OC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)C(=O)c1ccccc1Br 789051408 MVYAYTZOWUHTGZ-SNVBAGLBSA-N 445.225 4.039 5 20 IIBD C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 790203105 QXJAUAYYEYDVKM-LBPRGKRZSA-N 448.273 4.147 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 790565868 VHSYKNNKUYTZPL-NSHDSACASA-N 434.777 4.009 5 20 IIBD COc1c([N+](=O)[O-])cc(NCc2cccc([N+](=O)[O-])c2C)c([N+](=O)[O-])c1Br 790787183 MVFVEIORCLCSFX-UHFFFAOYSA-N 441.194 4.103 5 20 IIBD C[C@H](CCc1ccc(I)cc1)NC(=O)c1cc(F)ccc1[N+](=O)[O-] 794130571 QCXPSLHXKVXPMI-LLVKDONJSA-N 442.228 4.090 5 20 IIBD CCOc1cc(N2CCN([C@@H](C)c3nnc(-c4cccc(C)c4)o3)CC2)ccc1[N+](=O)[O-] 796463371 FAXFCKMQKZXCGK-KRWDZBQOSA-N 437.500 4.235 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 800601460 PPARBBDCHFMQBU-UHFFFAOYSA-N 443.381 4.165 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cccc2cc(Br)cnc12 804267269 NAVORPPGOCQPTA-UHFFFAOYSA-N 445.229 4.385 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](c1c[nH]c2ccccc12)C(Cl)(Cl)Cl 804580408 SJVQFVCAGRHRHT-INIZCTEOSA-N 444.706 4.199 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 810141594 CXFUHCYYAWHFCL-QGZVFWFLSA-N 432.521 4.404 5 20 IIBD O=C1C[C@H](C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c2ccc(F)cc2N1 811220390 JBYUZGGOCQJXLN-INIZCTEOSA-N 427.413 4.027 5 20 IIBD CC(C)(CCc1noc(-c2cc(Br)sc2Br)n1)[N+](=O)[O-] 812814199 WSHUFXZRRVZVGC-UHFFFAOYSA-N 425.102 4.311 5 20 IIBD O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)Nc1cc([N+](=O)[O-])ccc1F 844137901 DUZASQJVLGKOKG-UHFFFAOYSA-N 438.824 4.080 5 20 IIBD CC[C@@H]1CCCCN1C(=O)c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 867389113 YCLIFDWVUQJOGR-QGZVFWFLSA-N 432.498 4.076 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCN(Cc2ccc(Cl)cc2)CC1 883999192 KHKPEUATQURUKH-UHFFFAOYSA-N 442.947 4.197 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 918539224 YCEFUYDONPVDQU-UHFFFAOYSA-N 442.855 4.214 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)CSc1ccc(C(C)C)cc1 919319341 HKPLCODVJGSKLE-CQSZACIVSA-N 432.498 4.389 5 20 IIBD CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 920818667 KNHODJWWMLQSID-UHFFFAOYSA-N 426.307 4.041 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1cccc(CO)c1 921224440 AAKHWVWXCRSOLI-HXUWFJFHSA-N 440.839 4.277 5 20 IIBD Cc1nc(Cc2nnc(SCc3ccc([N+](=O)[O-])cc3Br)o2)cs1 1116646517 AIHHWBCVZXUKLK-UHFFFAOYSA-N 427.305 4.388 5 20 IIBD COc1cc([N+](=O)[O-])ccc1-c1nc([C@H](NC(=O)OC(C)(C)C)c2ccccc2)no1 1320727543 IQHADYTXDYMGMP-QGZVFWFLSA-N 426.429 4.268 5 20 IIBD C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1N)c1cccc(N2CCCC2)c1 1321774447 JINZSOQTXSQLAS-GFCCVEGCSA-N 433.306 4.031 5 20 IIBD COc1cc(CN2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c([N+](=O)[O-])cc1OC(F)F 1322862733 QWBJCMYCLNUHKW-CYBMUJFWSA-N 432.427 4.461 5 20 IIBD Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cs1 1324501302 BQIGBNYZEOXERA-UHFFFAOYSA-N 431.477 4.415 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])o4)CCC3)cc2)cc1O 1790610860 QFLDPKXZLIRVAS-UHFFFAOYSA-N 435.436 4.263 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C12CCC(CC1)CC2 1803249968 SPFOGEUOVPDAAI-HCGKSAQNSA-N 437.540 4.217 5 20 IIBD O=C(CC1CCCC1)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)[nH]n1 1816690228 RSGOEVWKFUUGOY-LJQANCHMSA-N 443.479 4.343 5 20 IIBD Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)[nH]n2)c(C)c1 1820476802 ZEMHNTXVHFQZFC-KRWDZBQOSA-N 437.456 4.147 5 20 IIBD CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3cccc([N+](=O)[O-])c3)CC2)CCC1 1824837939 UASMABGEWDQGEG-QFIPXVFZSA-N 441.572 4.337 5 20 IIBD Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)CC3CCC3)CC2)cc1[N+](=O)[O-] 1832833314 LHYDRIKYSWBWCS-QFIPXVFZSA-N 441.572 4.256 5 20 IIBD Cc1c(C(=O)N2CC3(CCCN3C(=O)c3ccccc3Cl)C2)cc(Cl)cc1[N+](=O)[O-] 1844861394 VAPNHMRDGOJSJF-UHFFFAOYSA-N 448.306 4.341 5 20 IIBD Cc1ccc(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccccc3[N+](=O)[O-])C2)c(Cl)c1 1847061997 TUAGSMMOGKTNDX-CSKARUKUSA-N 439.899 4.087 5 20 IIBD C[C@H](Sc1nnnn1C1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 16295184 ARDLUQRZMCFGJF-JTQLQIEISA-N 444.439 4.225 5 20 IIBD Cc1nc(-c2ccccc2)sc1C(=O)O[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 17828496 JVLWRIOVVOFRIF-GFCCVEGCSA-N 429.429 4.350 5 20 IIBD O=C(CSc1nnc(NCc2ccco2)s1)Nc1cc([N+](=O)[O-])ccc1Cl 17982954 OCSDVFQBMATTBR-UHFFFAOYSA-N 425.879 4.036 5 20 IIBD C[C@@H](OC(=O)c1ccc(Cl)c(N)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 21346322 PPPVDJVBMMTQDP-MRVPVSSYSA-N 431.754 4.033 5 20 IIBD Cc1c(C(=O)O[C@@H](C)c2cccc([N+](=O)[O-])c2)sc2nc3n(c(=O)c12)CCCCC3 22031177 BGKYBTFCBOGKDN-ZDUSSCGKSA-N 427.482 4.319 5 20 IIBD CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 22175463 CWMSVVGNJJHDBF-OAHLLOKOSA-N 425.514 4.225 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(OCc2coc(-c3ccc(C)cc3)n2)c([N+](=O)[O-])c1 24580448 NFPYWIGCZINVHD-UHFFFAOYSA-N 445.497 4.168 5 20 IIBD CNC(=O)C1CCC(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 63261116 IRUZBVHWFNUPCE-UHFFFAOYSA-N 431.876 4.075 5 20 IIBD CN(C)C(=O)c1ccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1Cl 64935394 DJYUNWSBPDWFHP-UHFFFAOYSA-N 430.873 4.326 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)CCOc1ccccc1[N+](=O)[O-] 66035489 XVAUKJQICTWNDE-MRXNPFEDSA-N 425.485 4.183 5 20 IIBD COc1cc([C@@H](C)NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(OC)c1OC 107640116 NIEYOZODDWRCJG-MRXNPFEDSA-N 446.503 4.058 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cc1NS(C)(=O)=O 109157740 QWPDKBRGTNQEIZ-UHFFFAOYSA-N 441.465 4.319 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)cc([N+](=O)[O-])c1 195623243 BGXKJSQJRPFMDN-UHFFFAOYSA-N 434.452 4.224 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCc1ccc(F)cc1C(F)(F)F 301267769 UQCCWVPHRBNXGI-UHFFFAOYSA-N 428.310 4.361 5 20 IIBD O=c1c(Cl)c(N2CC[C@@H](CSc3ccccc3)C2)cnn1-c1ccc([N+](=O)[O-])cc1 301468057 MUFPDBVTSBKGQF-OAHLLOKOSA-N 442.928 4.413 5 20 IIBD Cc1nnc(Sc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])n1[C@H]1CCC[C@@H](C)C1 301823946 CTKIGNGJBWLGEK-CJNGLKHVSA-N 440.529 4.362 5 20 IIBD Cc1cc(N2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 302179131 PSZDIXVLSCRFQZ-HSZRJFAPSA-N 439.516 4.198 5 20 IIBD CC1(C)CC[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c2ccccc21 303417708 BUTKKPKQDVKDRO-IRXDYDNUSA-N 427.526 4.190 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1 432054638 VZVOVLATDQCTBF-UHFFFAOYSA-N 446.403 4.022 5 20 IIBD CCOc1cc(N2CCN(C(=O)Nc3ccc(CCSC)cc3)CC2)ccc1[N+](=O)[O-] 432074151 DNQGLQFYQDYTNX-UHFFFAOYSA-N 444.557 4.253 5 20 IIBD O=C(Nc1nnc([C@H]2CCCc3ccccc32)s1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 432636552 YOIOFALTAXYOHG-HNNXBMFYSA-N 447.476 4.421 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 433332324 UUFLDLOWOXZJGR-UHFFFAOYSA-N 444.557 4.002 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)c1cccc(OCc2ccccc2)c1 434575327 QNDHSIIIOHQFAS-KRWDZBQOSA-N 433.464 4.298 5 20 IIBD CCc1nc(CCNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)sc1C 436361372 HPHAAWFPHUEFBG-UHFFFAOYSA-N 427.476 4.259 5 20 IIBD O=C(NC1CCN(Cc2ccc(F)c(F)c2)CC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437231418 HFXZAXRXYRYTGK-UHFFFAOYSA-N 443.372 4.286 5 20 IIBD Cc1ccc(CCN(Cc2ccco2)C(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1 441235503 SHOVQWNCQLSMLN-UHFFFAOYSA-N 435.480 4.323 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCOc2c(Br)cccc21 441527069 VJLVNBPBRMHTMS-UHFFFAOYSA-N 449.304 4.343 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1 443944139 DANMJPOQFUQVIP-UHFFFAOYSA-N 431.562 4.315 5 20 IIBD C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 444254956 WGEBGDPMANKWJU-KRWDZBQOSA-N 426.520 4.032 5 20 IIBD CC[C@@H](C)Oc1cc(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)ccn1 444284005 FPVFUUGDONMOEQ-CYBMUJFWSA-N 437.446 4.462 5 20 IIBD CCOC(=O)[C@@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])c2ccccc21 446250785 VQZHNSRGUWIECZ-CQSZACIVSA-N 433.258 4.055 5 20 IIBD CCc1nc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)nn1-c1c(Cl)cccc1Cl 446433224 QMHMCEQJJKXKGA-UHFFFAOYSA-N 446.294 4.243 5 20 IIBD CCOc1ccc([C@@H]2CCCN2C(=O)CNc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 446625552 SAIGUMWALDKCOU-SFHVURJKSA-N 435.427 4.371 5 20 IIBD C[C@@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1noc(-c2ccc(Cl)cc2)n1 446750190 FSDSPMDORPEGRL-GFCCVEGCSA-N 427.848 4.127 5 20 IIBD COc1cc(CNC2(c3cccc(OC(F)(F)F)c3)CCOCC2)c([N+](=O)[O-])cc1F 447320833 HFGSWXXSTYHKGK-UHFFFAOYSA-N 444.381 4.437 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCc2cc(Br)ccc2C1 460202689 PPMQGINLFHFDGC-UHFFFAOYSA-N 428.290 4.198 5 20 IIBD Cc1c(C(=O)NC2(c3cccc(C(F)(F)F)c3)CCC2)nnn1-c1cccc([N+](=O)[O-])c1 460553321 XMWTVGFZVLDTCO-UHFFFAOYSA-N 445.401 4.312 5 20 IIBD C[C@H](CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)Oc1ccc(Br)cc1 464639706 PGYFJSGGZOSCJI-CHWSQXEVSA-N 439.331 4.422 5 20 IIBD CC[C@H]1Oc2cc([C@H](C)NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc2NC1=O 465356912 JDJDTRUXYAROSC-MGPLVRAMSA-N 437.374 4.214 5 20 IIBD CCCC(=O)Nc1ccc(CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 465546498 RMZBMYHPTBMHNB-UHFFFAOYSA-N 440.500 4.086 5 20 IIBD Cc1cccc(C)c1OC[C@@H](C)NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465761521 YDMQFPWPRFSPTK-GOSISDBHSA-N 427.501 4.232 5 20 IIBD CC1(C)CN(C(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C[C@@H]1O 468578944 RMKKLUJOWNYSBF-PRDNPTHXSA-N 437.521 4.365 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C)c1ccccc1Oc1ccccc1 468886709 HJOGFRBCCWLGER-KXBFYZLASA-N 437.500 4.497 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nnc(C(C)(C)c2ccccc2)s1 471504651 UZMHGOJPYPAVGV-UHFFFAOYSA-N 432.527 4.190 5 20 IIBD COc1c(C(=O)N2CCc3c(Br)ccc(Cl)c3C2)cccc1[N+](=O)[O-] 476684487 BJMQDGIDOGEZGO-UHFFFAOYSA-N 425.666 4.218 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1csc(-c2ccco2)n1 477176079 NZVQSWQIQHSJGQ-UHFFFAOYSA-N 434.282 4.097 5 20 IIBD COC(=O)c1ccc(C(F)(F)F)nc1S[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 478717338 AMAVCQFQTLVDQB-JTQLQIEISA-N 443.403 4.223 5 20 IIBD COC(=O)Cc1cccc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c1 478882095 HYEQFEJPGZDYIR-UHFFFAOYSA-N 449.250 4.055 5 20 IIBD CC(C)n1cc2c(n1)C[C@H](NC(=O)c1ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c1)CC2 481847789 PZSGDYWHFKAELF-MBOZVWFJSA-N 439.560 4.142 5 20 IIBD COc1cc(C(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)ccc1[N+](=O)[O-] 483079335 BLCOQERMYREYLD-UHFFFAOYSA-N 432.498 4.103 5 20 IIBD Cc1c([C@@H](C)NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)cnn1C 484279724 GETBKTHPUIAEAX-CYBMUJFWSA-N 427.892 4.393 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(NC(=O)[C@H](C)n2cccn2)c1 484492973 VIBQPBFHJVHJPN-AWEZNQCLSA-N 439.497 4.355 5 20 IIBD Cc1ccnc(-n2nccc2NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 484929707 ZGTLBQBEKSPOSH-UHFFFAOYSA-N 437.403 4.234 5 20 IIBD O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1cc([N+](=O)[O-])ccc1OC(F)F 485568938 LLNJXHKWVHRKHC-GDBMZVCRSA-N 430.766 4.249 5 20 IIBD CN(C(=O)Cc1cccc(N2CCCC2=O)c1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 486474500 YEOWKPYQVYUZGM-UHFFFAOYSA-N 436.493 4.051 5 20 IIBD COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1N)CCO2 487567031 BYJBYPUREDMFNF-HXUWFJFHSA-N 433.464 4.352 5 20 IIBD Cc1ccc(CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c(OC[C@H]2CCCO2)c1 487898904 QKJKAGMSSLHYRE-LJQANCHMSA-N 447.919 4.156 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)cc1SC 490188728 XAVXCJVTRGVNTO-GFCCVEGCSA-N 436.559 4.266 5 20 IIBD CCOc1cc(C(=O)NCC[C@H](c2ccccc2)C(F)(F)F)c([N+](=O)[O-])cc1OC 490988169 KRJBYAYCZWKYBS-OAHLLOKOSA-N 426.391 4.468 5 20 IIBD COc1cc(CNCc2cc(F)ccc2Br)c([N+](=O)[O-])cc1OCC(F)F 491047556 BZUFKCNZMZLFPC-UHFFFAOYSA-N 449.223 4.439 5 20 IIBD CCC[C@]1(C(F)(F)F)CCCN1C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 494699682 RGHUYSZLEWTNAP-GOSISDBHSA-N 429.395 4.007 5 20 IIBD O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 498149532 MPJWYHAWBASTGW-UHFFFAOYSA-N 443.381 4.295 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccccc1Sc1ccccc1 499542473 DUXXSTJJVJCBFA-UHFFFAOYSA-N 437.477 4.010 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCN(C(=O)C(C)(C)C)CC3)cc2[N+](=O)[O-])cc1 499913154 INRSIHZXGVJFFW-UHFFFAOYSA-N 441.553 4.385 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCO[C@@H](c2cccc(Br)c2)C1 500656237 KBCNWBKLUYSJFX-LJQANCHMSA-N 448.317 4.068 5 20 IIBD COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2ccccc2[N+](=O)[O-])c1 500775338 RQRZMMLQWFDBNZ-UHFFFAOYSA-N 428.448 4.386 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])c1ccc(COc2cccc(Br)c2)o1 500790783 AJQAJDOWYZODTA-UHFFFAOYSA-N 431.242 4.459 5 20 IIBD CC(C)(C)Oc1cccc(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])n1 502664117 CXXRVRKAPLVBFP-UHFFFAOYSA-N 427.379 4.038 5 20 IIBD CCCN(CC(=O)OC)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 502733342 VREMZOFPPSQTER-UHFFFAOYSA-N 436.848 4.074 5 20 IIBD O=C(Nc1cccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)c1)[C@H]1Cc2ccccc2O1 504978892 AHKGSSHUUKNCIK-HXUWFJFHSA-N 428.404 4.254 5 20 IIBD CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 508457059 NJLUMQAKOMLVLW-SCLBCKFNSA-N 447.438 4.134 5 20 IIBD Cc1csc(N(C(=O)c2cc([N+](=O)[O-])cc(I)c2C)C2CC2)n1 509417366 QSRSFYSFGIUWNQ-UHFFFAOYSA-N 443.266 4.082 5 20 IIBD CCOCCOCc1cccc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1 509687002 VUENBOHJCLGGTG-UHFFFAOYSA-N 437.290 4.471 5 20 IIBD COc1cc(C(=O)Nc2cccc(C(C)=O)c2)c([N+](=O)[O-])cc1OCc1cscn1 509894603 PHTHHIXJTLTAAC-UHFFFAOYSA-N 427.438 4.094 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1CN(CCn1ccnc1)Cc1ccc(Br)o1 510934076 FUHMOPVZYJGIEP-UHFFFAOYSA-N 449.305 4.248 5 20 IIBD Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 515439908 NQTUQFQPCFCLDG-CQSZACIVSA-N 425.382 4.460 5 20 IIBD CN(C[C@@H]1CCCCO1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 515975958 NVGVJUMCKFBREL-QFIPXVFZSA-N 434.496 4.018 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1ccccc1-c1nnc2n1CCCCC2 517912464 LOYFURFODYSGLM-UHFFFAOYSA-N 447.904 4.034 5 20 IIBD C[C@@H]1CN(C)CCN1C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 518790055 UHGFCYSEKIMUHY-APVMCDBPSA-N 436.537 4.298 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1 519945510 ZOPGVWYQPOHBDB-UHFFFAOYSA-N 439.493 4.371 5 20 IIBD CC(C)C[C@@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N[C@H](C)c1ccccc1 521380260 RSMBWMIHIVPTOG-QUCCMNQESA-N 435.528 4.276 5 20 IIBD CCNc1ccc(C(=O)Nc2ccc(C)c(NC(=O)CN3CCCCC3)c2)cc1[N+](=O)[O-] 521392372 MDIFZULVRPUDAN-UHFFFAOYSA-N 439.516 4.012 5 20 IIBD O=C(Nc1ccc(-n2ccnc2)c(Cl)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 522123127 KQBLEZCXZWORPL-UHFFFAOYSA-N 425.876 4.289 5 20 IIBD Cc1nc(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)sc1Cc1cccc(Cl)c1 523275308 RBYNGGDULXUCIG-UHFFFAOYSA-N 433.921 4.446 5 20 IIBD Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)C2)cc1 523548084 ZSSYKUGPMRYBQP-SFHVURJKSA-N 438.528 4.241 5 20 IIBD Cc1nn(CCC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)c(C)c1[N+](=O)[O-] 523957538 BISVZQMHQUEUDA-UHFFFAOYSA-N 435.200 4.218 5 20 IIBD COc1cc(CNC[C@H]2CCCn3cc(C)nc32)c([N+](=O)[O-])cc1OCc1ccccc1 525181448 MEINZDYAVQTSBK-LJQANCHMSA-N 436.512 4.355 5 20 IIBD COc1cc(CN[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 525708749 WTIIVDQOTWUASO-UEVCKROQSA-N 426.513 4.476 5 20 IIBD COc1cc(CNc2ccc3c(c2)oc(=O)n3C)c([N+](=O)[O-])cc1OCc1ccccc1 532729367 UYSZBUNOLXYUAF-UHFFFAOYSA-N 435.436 4.239 5 20 IIBD Cc1cc(Cl)ccc1NC(=O)C[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534795678 JMBKZCNPZLEMPT-GDLZYMKVSA-N 433.873 4.099 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1O)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 536196758 IEXUUDHENRXHDV-UHFFFAOYSA-N 433.346 4.030 5 20 IIBD COc1ccc([C@H](OC)[C@H](C)NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 536775426 CWEIOHYROHGMTJ-ORAYPTAESA-N 427.482 4.233 5 20 IIBD COCCOc1c(Cl)cc(NC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)cc1Cl 536918842 AACANZZOTWGILP-UHFFFAOYSA-N 444.271 4.257 5 20 IIBD Cc1sc2nc([C@H](C)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)nc(N)c2c1C 537047881 UUYRGBJHLQQCAT-ZDUSSCGKSA-N 427.530 4.403 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@@H](CCC(=O)O)c3ccccc3)cc2[N+](=O)[O-])CC1 539608040 MZGJGVYJIDLVMH-IBGZPJMESA-N 425.485 4.167 5 20 IIBD COc1ccc(Cl)cc1C[C@H]1CCCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 539858135 ARNUSJAVAYYONB-GFCCVEGCSA-N 444.962 4.181 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)Nc2ccc(O)cc2)CC1 540471777 YZGCLJJPWQBTBR-UHFFFAOYSA-N 443.525 4.292 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CC(=O)O)c1ccc(Cl)c(F)c1 540712197 JWBCIKWAWSCOFC-QFYYESIMSA-N 426.853 4.200 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 544016017 RWQYMHGQWWUONR-UHFFFAOYSA-N 429.358 4.462 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)n1 544789668 CDBYBXSBJOXGKA-AWEZNQCLSA-N 446.385 4.488 5 20 IIBD COc1cc(OC)c(-c2noc(-c3ccc([N+](=O)[O-])cc3Br)n2)cc1OC 545525424 KOCGPSRTOSYWDQ-UHFFFAOYSA-N 436.218 4.100 5 20 IIBD O=C(Nc1ccc(F)cc1)Nc1cccc(OC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 549812353 QNAPWINTFWUPJM-LJQANCHMSA-N 441.415 4.197 5 20 IIBD COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1OC[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1 550206139 HCUHNHFNVMBEOW-ABAIWWIYSA-N 444.267 4.206 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@](C)(Cc1ccccc1)[C@H](C)O 552175997 TUDOMZWEALIZBJ-XOBRGWDASA-N 435.318 4.025 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 553693858 FWVDXFVOYJADPV-LAUBAEHRSA-N 448.926 4.264 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCc1cc(F)c(F)cc1Br 554304612 YPSZDZFDZJVTMA-UHFFFAOYSA-N 428.233 4.020 5 20 IIBD O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 559712444 QUGDNWBGBBPKKA-UHFFFAOYSA-N 428.779 4.460 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN3CCCN(c4ccc(F)c(F)c4)CC3)o2)c1 560200887 YSLXJQDQXWKCMG-UHFFFAOYSA-N 428.439 4.283 5 20 IIBD O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CCCC[C@@H]1c1ccccc1 560216383 RWTSAXAVRRLUAV-QGZVFWFLSA-N 432.274 4.050 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccc(Cn3ccnc3)cn2)cc1[N+](=O)[O-])c1ccccn1 561382247 RWLGOPTZZNKYRQ-MRXNPFEDSA-N 443.467 4.055 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 562232404 OHDIRQBZZBKUNE-HXUWFJFHSA-N 425.485 4.094 5 20 IIBD Cc1c(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cnn1-c1ccc(F)cc1F 569778044 UCBQTZYEJJNUBO-UHFFFAOYSA-N 442.422 4.051 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(Oc2ccc(-n3c(C)nnc3-c3ccccc3C)cc2)n1 571271259 IRSHPMDSZCNHQQ-UHFFFAOYSA-N 445.435 4.433 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H](c2ccccc2)c2cc3ccccc3o2)cc1 576308150 GKPRERMETWGLEE-QHCPKHFHSA-N 436.489 4.494 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1 578266786 DEEGPVVBSOUOFR-INIZCTEOSA-N 434.378 4.205 5 20 IIBD CCn1c([C@H]2CCCN2c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)nc2ccccc21 578468664 YQBUQWZSJYWFFD-HXUWFJFHSA-N 439.491 4.282 5 20 IIBD COc1cc(C(=O)N(C)[C@H](C)Cc2ccccc2C(F)(F)F)c([N+](=O)[O-])cc1OC 578987027 NZPCRDWHJCDJKZ-GFCCVEGCSA-N 426.391 4.334 5 20 IIBD O=C(Cc1cc2c(ccc3ccccc32)o1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 582508431 MACOOAYEFJENEH-UHFFFAOYSA-N 443.459 4.021 5 20 IIBD CNC(=O)CC[C@H]1CCCCN1Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 584021519 YCHSTTLEAKOLDF-HXUWFJFHSA-N 441.528 4.063 5 20 IIBD O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 603479790 OBMIMWCSYDAKMR-JOCHJYFZSA-N 446.438 4.195 5 20 IIBD Cc1c(NC(=O)N2CCN(Cc3ccc(Br)s3)CC2)cccc1[N+](=O)[O-] 603645779 ZFOMICZJYDYRAI-UHFFFAOYSA-N 439.335 4.077 5 20 IIBD CC(=O)Nc1cccc2c1CCCN2C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 603935376 UMJVEZXKZCLHLC-UHFFFAOYSA-N 447.495 4.008 5 20 IIBD COc1ccc(C[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1OC 608949141 UPYTZNRBENBNKX-NRFANRHFSA-N 436.464 4.091 5 20 IIBD COc1cc(CNCc2c(C)cc(C)nc2OC)c([N+](=O)[O-])cc1OCc1ccccc1 608983058 YUXSPUBMCDTZDH-UHFFFAOYSA-N 437.496 4.493 5 20 IIBD C[C@@H](NC(=O)c1ccc(I)cc1Cl)c1cccc([N+](=O)[O-])c1 609057475 IQONQAITNVXAPE-SECBINFHSA-N 430.629 4.344 5 20 IIBD O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 609198359 KNYPAHGNTZQOCW-OAHLLOKOSA-N 433.486 4.213 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 609290505 NIXGEPBRGUUTAQ-QGZVFWFLSA-N 428.247 4.324 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1 609507278 AIRYCLVHFYKQCK-UHFFFAOYSA-N 448.410 4.301 5 20 IIBD CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)c1 609766231 IIPDDXIDSUYYPN-UHFFFAOYSA-N 442.859 4.235 5 20 IIBD CCOCCCNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 609810886 UEQCWFRVOYPIHF-UHFFFAOYSA-N 425.844 4.405 5 20 IIBD CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 609861390 CQOJCKOJEPLBJK-AWEZNQCLSA-N 434.899 4.020 5 20 IIBD COC(=O)c1cc(NC(=O)c2occc2CN2c3ccccc3C[C@H]2C)cc([N+](=O)[O-])c1 609884610 PDLISSVPUFLJOZ-CQSZACIVSA-N 435.436 4.178 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1coc(-c2ccccc2)n1 610183961 BXBKGDARPJIHJW-UHFFFAOYSA-N 434.374 4.387 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1OCCn1ccccc1=O 610287873 DMUNTAFMVGMDCM-UHFFFAOYSA-N 448.262 4.395 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(COc2cccc(F)c2)c1 619466665 IHGLBLIABDPQLC-UHFFFAOYSA-N 432.429 4.122 5 20 IIBD Cc1c(NC(=O)[C@@H](C)NCC2(NC(=O)OC(C)(C)C)CCCCC2)cccc1[N+](=O)[O-] 725840284 BRYCLLQRUHCXSE-MRXNPFEDSA-N 434.537 4.047 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)Nc1ccc(F)cc1Cl 725986225 UNRRNPKCUWLQCO-MRVPVSSYSA-N 445.628 4.334 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1cccc(CS(=O)(=O)c2ccccc2)c1 727710142 HBNXQFXSUIDYPU-UHFFFAOYSA-N 430.869 4.474 5 20 IIBD CC(=O)N1CCC[C@H](C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2OCc2ccccc2)C1 727961194 DPQVUHWHPMOQMQ-INIZCTEOSA-N 431.876 4.024 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Oc2ccc(C(=O)N3CCCC3)cc2)CC1 728492642 GBTJBHKIDOJJPM-UHFFFAOYSA-N 437.496 4.286 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C 729515035 ANFXRNPLQXZYRT-LJQANCHMSA-N 447.919 4.343 5 20 IIBD CC(C)[C@@H](OC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)N[C@H]1CCOc2ccccc21 730645564 YHTDIXDORWMEAO-HNAYVOBHSA-N 432.860 4.070 5 20 IIBD O=C(CCOc1ccc(Cl)cc1Br)OCC(=O)c1cccc([N+](=O)[O-])c1 731717218 GOSDKXNEYJDFJX-UHFFFAOYSA-N 442.649 4.206 5 20 IIBD O=C(OCc1nc(C2CC2)no1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 733395023 NKPMJLMDLUMRNV-UHFFFAOYSA-N 428.832 4.478 5 20 IIBD Cc1cc(OC(F)F)c(C(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)s1 734081077 HRAVQTZRVVSPAR-UHFFFAOYSA-N 427.429 4.035 5 20 IIBD Cc1nc(-c2ccccc2)c(C(=O)OCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)s1 735336681 KWFWZIQODJQLKS-UHFFFAOYSA-N 439.449 4.182 5 20 IIBD CC(C)(CCC(=O)OCc1ccc([N+](=O)[O-])cc1Br)NC(=O)OC(C)(C)C 739578978 RVGRDORTWYZWQO-UHFFFAOYSA-N 445.310 4.484 5 20 IIBD CSc1nc(C)c(CCC(=O)OCc2ccc([N+](=O)[O-])cc2Br)c(C)n1 739580418 UTVZDJAOMONLMB-UHFFFAOYSA-N 440.319 4.162 5 20 IIBD Cc1nn(-c2ccccc2)c2ncc(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)cc12 739588986 HKNIQHORMLHURC-UHFFFAOYSA-N 429.480 4.390 5 20 IIBD CC[C@@H](c1ccc(F)cc1F)N1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 742418439 RRDMIZHYKACXEV-NRFANRHFSA-N 444.482 4.039 5 20 IIBD Cc1cc(-c2noc([C@@H](C)OC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)n2)ccc1F 743123180 NTEGXALBWLXHCR-CYBMUJFWSA-N 437.387 4.196 5 20 IIBD C[C@@H](OC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(N(C)Cc2ccccn2)c(F)c1 744202063 ALDIFOQIYOFGJK-MRXNPFEDSA-N 439.443 4.449 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 746260032 ANYFQIDFACRTDI-QAPCUYQASA-N 426.366 4.481 5 20 IIBD COc1cc(CN2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F 749493386 VZKQUQGRWFFFLR-OCCSQVGLSA-N 445.463 4.082 5 20 IIBD CC(C)(C)OC(=O)N(CC1CC1)C1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 751118766 MRXJFTXKOZMRHG-UHFFFAOYSA-N 444.532 4.095 5 20 IIBD CC(C)(C)Sc1ccc(NC(=O)c2c3c(cc([N+](=O)[O-])c2[N+](=O)[O-])OCCO3)cc1 751264800 WHSXKSVGFSXKNU-UHFFFAOYSA-N 433.442 4.417 5 20 IIBD O=[N+]([O-])c1cccc2c1CCN2Cn1nc(-c2ccncc2)n(-c2ccccc2)c1=S 754776952 VEBWPIYUFXVAEM-UHFFFAOYSA-N 430.493 4.394 5 20 IIBD C[C@H](OC(=O)c1c[nH]nc1-c1ccccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 756605395 PMQQZZKNMHYUTL-JTQLQIEISA-N 449.250 4.476 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N(CCCO)Cc1cccc(Cl)c1 757200658 PJBBQDFCZQIVQW-UHFFFAOYSA-N 445.672 4.175 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc3oc(C4CC4)nc3c2)ccc1Br 760336941 BNTQOILZAZVWMP-UHFFFAOYSA-N 438.259 4.177 5 20 IIBD Cc1ccc(F)cc1-c1noc(-c2cc([N+](=O)[O-])ccc2I)n1 761621636 JVDOXCJLTQBUCL-UHFFFAOYSA-N 425.157 4.364 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H](O)c1cccc(OCc2ccccc2)c1 762529221 WAXBNURDFASBOX-QFIPXVFZSA-N 440.883 4.220 5 20 IIBD O=C(OCc1nc(-c2ccccn2)no1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 763795970 BZJFKSYBXRKOGQ-UHFFFAOYSA-N 426.454 4.432 5 20 IIBD CCn1c(COC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)nc2c(F)cccc21 763811083 RSNBAISFIXZAIA-UHFFFAOYSA-N 433.461 4.199 5 20 IIBD Cc1c(Br)cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1[N+](=O)[O-] 764079175 FRXQSSCTQQQNAY-UHFFFAOYSA-N 434.246 4.379 5 20 IIBD CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 764293200 DVGRIHXUKZAASW-OAHLLOKOSA-N 446.935 4.189 5 20 IIBD CN(C[C@H]1CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1)C(=O)OC(C)(C)C 768915550 OMDHVKNRTFKOBV-QGZVFWFLSA-N 443.548 4.074 5 20 IIBD C[C@@H](OC(=O)c1ccc(N)cc1C(F)(F)F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 770064058 IYZHTKBQDMXLRT-MRVPVSSYSA-N 431.754 4.033 5 20 IIBD Cc1ccc(C(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)c(Br)n1 773461169 YBUCYTZVMPECGK-UHFFFAOYSA-N 430.052 4.180 5 20 IIBD COc1ccc(OCCOC(=O)c2cc3cc(OC)ccc3nc2Cl)c([N+](=O)[O-])c1 775015312 GJDZKHIWLLLKTE-UHFFFAOYSA-N 432.816 4.049 5 20 IIBD C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(CNC(=O)OC(C)(C)C)cc1 779056917 YQLDKYVGTRGCEX-HNNXBMFYSA-N 428.489 4.449 5 20 IIBD O=C(Nc1ccc(SCc2cccnc2)cc1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781593737 YDLSLLAXXHVILW-NRFANRHFSA-N 434.477 4.414 5 20 IIBD COc1ccc(C)cc1[C@H](C)OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 781630061 VAJSFLWZZJTWOA-OXJNMPFZSA-N 426.469 4.129 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 783118626 ZALREHXWWISZAM-GFCCVEGCSA-N 427.215 4.137 5 20 IIBD O=C(COC(=O)Cc1nc(-c2ccc(F)cc2)cs1)Nc1ccc(Cl)c([N+](=O)[O-])c1 787005133 UAFVXJYAEFJXRZ-UHFFFAOYSA-N 449.847 4.235 5 20 IIBD CCCN(C(=O)c1ccccc1NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C(C)C 787420255 DMXAOORXMARVJD-UHFFFAOYSA-N 440.500 4.151 5 20 IIBD O=c1c2ccccc2nc(SCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1Cc1ccco1 789392872 IPNQSVQJCDYEJP-UHFFFAOYSA-N 438.421 4.147 5 20 IIBD O=[N+]([O-])c1cc(Br)c(F)cc1OCc1ccc(S(=O)(=O)C(F)F)cc1 790296318 UEENIUCYTDZKGC-UHFFFAOYSA-N 440.193 4.072 5 20 IIBD O=C(NCCc1cc2ccccc2[nH]1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 790782651 PGRHKDNXYZNNCX-UHFFFAOYSA-N 443.301 4.149 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cc(F)c(F)cc2I)c1F 790803379 VYXCPDWGSYECFM-UHFFFAOYSA-N 436.127 4.177 5 20 IIBD C[C@@H](CC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C(=O)c1cccc(F)c1 791175381 ZXSCIIOWPNHHFG-LBPRGKRZSA-N 449.276 4.290 5 20 IIBD C[C@]12CCN(C(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@H]1C2(Cl)Cl 791187907 YVLZRBBDUFOPQL-HIFRSBDPSA-N 440.249 4.458 5 20 IIBD COc1c(C(=O)N2CCCN(C(=O)OC(C)(C)C)c3ccccc32)cccc1[N+](=O)[O-] 793550043 MHYTYCOQVCAAIJ-UHFFFAOYSA-N 427.457 4.395 5 20 IIBD O=C(CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)NC[C@H](CO)[C@@H]1CCOC1 796445162 KHWPKJMWXRWHPK-NHCUHLMSSA-N 429.516 4.308 5 20 IIBD O=C(Nc1cccc(-c2ncco2)c1)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O 798175974 PTCISJUYIRVUDC-UHFFFAOYSA-N 425.788 4.047 5 20 IIBD Cc1nc(-c2ccc(C(=O)O[C@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cc2)cs1 799517452 GOGHKGRVJIBZPH-LLVKDONJSA-N 429.429 4.350 5 20 IIBD CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])[C@H](c2ccncc2)C1 800333923 NCKJTRGROZNRMD-KRWDZBQOSA-N 446.891 4.077 5 20 IIBD CCc1cc(N2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 800878610 CHLVEQKFOIXYFJ-QHCPKHFHSA-N 441.532 4.355 5 20 IIBD CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)c3cc([N+](=O)[O-])c(F)cc3N)ccc21 801878942 GKZNAXSAOKIGFH-UHFFFAOYSA-N 430.436 4.256 5 20 IIBD CN([C@H]1CC[C@@H](C(F)(F)F)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 808347462 LNWGIBGINMFVFH-AOOOYVTPSA-N 445.257 4.099 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2C[C@@H]3CCCN3c3ccccc32)c(Cl)cc1Cl 809808399 ROQWXACRVDMDMS-NSHDSACASA-N 428.297 4.079 5 20 IIBD COc1ccc([C@H](O)C2CCN([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cc1 812855342 JMUULFQMGFYOKV-BTYIYWSLSA-N 438.484 4.160 5 20 IIBD O=C(Nc1cccc(CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1)c1cccnc1 812894740 PMEGYCBHCDFCEU-UHFFFAOYSA-N 445.262 4.479 5 20 IIBD O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCc2c(cccc2N2CCOC2=O)C1 813464607 FWROMPXBKHJRPA-UHFFFAOYSA-N 436.251 4.057 5 20 IIBD CN([C@@]1(c2ccccc2)CCCCC1=O)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] 815040552 BTWFBXWYRSNQGB-LJQANCHMSA-N 440.880 4.046 5 20 IIBD CN(Cc1nc(-c2ccc(F)cc2F)no1)c1cc(Br)ccc1[N+](=O)[O-] 904803704 XLCWTCSKVORQMR-UHFFFAOYSA-N 425.189 4.322 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 914721534 OHTCZPWUTNLSFA-OAHLLOKOSA-N 444.221 4.423 5 20 IIBD CSc1nc2ccc(NC(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)cc2s1 915312750 ZLEYPBLZJPZWDL-UHFFFAOYSA-N 429.527 4.281 5 20 IIBD COc1ccc(S(=O)(=O)Nc2nc3ccc(SC(F)F)cc3s2)cc1[N+](=O)[O-] 916108399 OAAFEUYRRKJQBS-UHFFFAOYSA-N 447.466 4.329 5 20 IIBD C[C@@H](OC(=O)CCOc1ccccc1[N+](=O)[O-])C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 919492611 DMGJHCXOCRZQBB-IAGOWNOFSA-N 440.496 4.052 5 20 IIBD Cc1c(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 920009442 SPUKSVPODRBORU-CQSZACIVSA-N 435.820 4.275 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cnc(-c2ccccc2F)s1 920701019 GUMPGQZCDNHXAP-LLVKDONJSA-N 445.428 4.050 5 20 IIBD COc1ccc(N(Cc2ccccc2)C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 921245664 RSHCTIBIIVCUFM-UHFFFAOYSA-N 447.491 4.287 5 20 IIBD COc1ccccc1[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1N)c1ccco1 1347527324 GQSHGSFEZBQVMG-SFHVURJKSA-N 446.257 4.061 5 20 IIBD Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1 1787795294 JDNZFQSVFPPZMQ-UHFFFAOYSA-N 448.479 4.058 5 20 IIBD Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])[nH]4)CCC3)cc2)c1 1790659503 AMBUOOAFOFTTRX-UHFFFAOYSA-N 436.443 4.432 5 20 IIBD CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 1805480655 TTXJEUIGALLPAP-UHFFFAOYSA-N 435.952 4.068 5 20 IIBD Cc1cccc(Cl)c1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCc1cccc([N+](=O)[O-])c1 1847995092 MNJLYMOYJGQMHA-PMACEKPBSA-N 441.915 4.005 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCC(=O)c1ccc2c(c1)CCCC2 11278278 UFMQAQQVDXBOAQ-UHFFFAOYSA-N 425.484 4.460 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 14583319 MNSXGOMLHJODIS-UHFFFAOYSA-N 429.479 4.220 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 15271203 IXYNKTOZKCDMCJ-HZPDHXFCSA-N 441.484 4.024 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1C(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 18018141 AMPVRDHGPYNIBP-GFCCVEGCSA-N 429.429 4.350 5 20 IIBD CC(=O)c1cc2c(cc1NC(=O)c1ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c1)OCO2 28880800 RSBZVUOANWBFRM-ZIAGYGMSSA-N 439.468 4.261 5 20 IIBD CCS(=O)(=O)c1ccc(N2CCC(Nc3ccc4ncccc4c3[N+](=O)[O-])CC2)cc1 63992759 ITIAGWDXMFGFEA-UHFFFAOYSA-N 440.525 4.018 5 20 IIBD C[C@@H](c1ccc(Cl)cc1)N(C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 105918807 TVKRTTYYORYIEI-LBPRGKRZSA-N 433.917 4.191 5 20 IIBD O=C(NCCOc1ccccc1-c1ccccc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 109202914 AWWDJWDCHDYMFW-UHFFFAOYSA-N 428.448 4.256 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(SC(F)F)cc2)ccc1[N+](=O)[O-] 110311948 YXTSCSSXSPSEKS-QGZVFWFLSA-N 435.452 4.461 5 20 IIBD COc1cc(C(=O)Nc2cc(Cl)ccc2O)c([N+](=O)[O-])cc1OCc1cscn1 111210445 TZKDLSPFCDBRHB-UHFFFAOYSA-N 435.845 4.250 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNCCCS(=O)(=O)c3ccccc3)o2)c(Cl)c1 237815353 HQWGGPKUSGONKT-UHFFFAOYSA-N 434.901 4.462 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc(I)cc1 248039703 KNDDZVBERXVRSA-UHFFFAOYSA-N 430.629 4.125 5 20 IIBD Cc1ccc(NC(=O)C2(CNc3cc4ncnc(O)c4cc3[N+](=O)[O-])CCCC2)cc1C 301601897 VSLPQUJLUCSICI-UHFFFAOYSA-N 435.484 4.471 5 20 IIBD Cn1c(Sc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)nnc1[C@@H]1COc2ccccc2O1 301861494 UARIQTALQSPVFL-HNNXBMFYSA-N 438.387 4.406 5 20 IIBD C[C@H]1C[C@@H](c2cccnc2)N(c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])C1 302154974 VTPSRXHRBLZTII-UWJYYQICSA-N 444.557 4.142 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 303002349 KYWNNDZNFSEHBT-WIOPSUGQSA-N 443.503 4.391 5 20 IIBD O=C(N[C@@H](c1ccc(Cl)cc1)c1ccsc1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 303437008 YAXHRZSLNRTAAZ-IBGZPJMESA-N 439.884 4.410 5 20 IIBD CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCN(c2ccccc2Cl)C1=O 303521480 ZEFWNKCLAYVGMK-LJQANCHMSA-N 440.887 4.183 5 20 IIBD CCCN(CC(=O)Nc1ccc(Cl)cc1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 303568898 YEEVORISLUUFKP-UHFFFAOYSA-N 429.864 4.149 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cc1SC 303770112 QNFXYDCFFKOJLU-FUHWJXTLSA-N 443.569 4.450 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(CC(F)(F)F)cc2)cc1[N+](=O)[O-] 303893406 PCAKREFUOOFKJU-UHFFFAOYSA-N 437.403 4.232 5 20 IIBD C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1noc(Cc2ccccc2)n1 426034433 FUXAUQRZDRMHLJ-GFCCVEGCSA-N 449.389 4.148 5 20 IIBD NC(=O)c1ccc(Cl)c(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 426338116 PAELFCCGELRKIF-UHFFFAOYSA-N 425.828 4.178 5 20 IIBD CCCc1c(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cnn1-c1ccccc1C 429272884 ORSPKVWMIWIKEH-UHFFFAOYSA-N 430.468 4.479 5 20 IIBD CCc1ccc(C(C)(C)CNC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 430585843 RMEZSCBMQVPGHU-UHFFFAOYSA-N 439.541 4.145 5 20 IIBD O=[N+]([O-])c1cncc(Br)c1N1CCC2(CCN(Cc3ccccc3)CC2)C1 431495082 OQUHIYYNWYMOLF-UHFFFAOYSA-N 431.334 4.245 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@@H](C)c2cccc(OCc3ccccc3)c2)cccc1[N+](=O)[O-] 434569362 GNYYUASOUQDELU-KRWDZBQOSA-N 433.464 4.298 5 20 IIBD O=C(c1cc(Cl)cc(Cl)c1)N1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 434834394 QHAQLJGIMJWVTA-UHFFFAOYSA-N 435.267 4.001 5 20 IIBD COc1ccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1N1CCCC1=O 436104779 BYPQLXHYKXXDOG-UHFFFAOYSA-N 427.460 4.069 5 20 IIBD Cc1sc(CC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])nc1C(C)C 436317271 KDDMXZKINLNAQD-MRXNPFEDSA-N 433.530 4.225 5 20 IIBD O=C(Nc1ccccc1CCC(F)(F)F)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437044641 RCEANDLIGUJLQS-UHFFFAOYSA-N 435.402 4.219 5 20 IIBD COc1cc(Oc2ccccc2)ccc1NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 437900206 GGJBSGFNANUTBB-UHFFFAOYSA-N 436.420 4.348 5 20 IIBD CN(C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 437953672 KTXFFKXPTYTGOS-QIJUGHKUSA-N 441.553 4.070 5 20 IIBD CS(=O)(=O)N(Cc1c(F)cccc1[N+](=O)[O-])c1ccc(Br)cc1Cl 439720757 NJVUFVRUYBAEES-UHFFFAOYSA-N 437.674 4.116 5 20 IIBD O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ncc(-c4ccc(Br)cc4)o3)C2)nc1 440489060 CPLSPUIPJQEVGQ-OAHLLOKOSA-N 444.289 4.094 5 20 IIBD CO[C@H]1CCN(c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])[C@H](C)C1 440649698 LVBPSKAJGOZGHN-SJORKVTESA-N 433.530 4.016 5 20 IIBD Cc1csc(N(CC(F)(F)F)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)n1 446020253 NIQSBZLUPQMQJU-UHFFFAOYSA-N 438.225 4.260 5 20 IIBD COc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 447033046 CXHYYSMNEFVTMK-HNNXBMFYSA-N 430.404 4.148 5 20 IIBD COc1cc(C(=O)Nc2ccccc2N2C[C@H]3CC[C@H]2C3)c([N+](=O)[O-])cc1OC(F)F 447670402 SFWSHKKHULJVLQ-STQMWFEESA-N 433.411 4.446 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 460533791 YLDIIRJBQNPYFN-RBUKOAKNSA-N 443.504 4.089 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)cc1OC 460576520 QZRGKDVJEIVOLS-UYTHQXMGSA-N 448.903 4.409 5 20 IIBD Cc1ccc(C[C@@H]2CCCN2c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCOC2)cc1 461566236 BMCOHUZTKNGGFU-UNMCSNQZSA-N 447.539 4.410 5 20 IIBD C[C@@H](NC(=O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1cccc2ccccc12 464786196 WIEGYRIVGZLFIM-GOSISDBHSA-N 433.508 4.469 5 20 IIBD NC(=O)NC[C@@H]1CCCCN1C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 467123158 VTKUPYOCDHHEIQ-AWEZNQCLSA-N 448.932 4.062 5 20 IIBD Cc1sc(S(=O)(=O)NCc2ccccc2COCc2ccccc2)cc1[N+](=O)[O-] 467409929 BROOLKBIYBZVKB-UHFFFAOYSA-N 432.523 4.160 5 20 IIBD Cc1sc(S(=O)(=O)NCc2cccc(COCc3ccccc3)c2)cc1[N+](=O)[O-] 467412419 SHZSNMYZQFUFEY-UHFFFAOYSA-N 432.523 4.160 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1 469384531 USGKIOMJJILOMW-KKSFZXQISA-N 436.468 4.316 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1cccc(OCc2ccccc2)c1 472691971 IUSJAIAJPJFWCG-HNNXBMFYSA-N 437.427 4.129 5 20 IIBD COC(=O)COc1ccc(CNc2ncc(Cc3ccc(C)c(F)c3)s2)cc1[N+](=O)[O-] 473493665 XDXIXEACVUJJCU-UHFFFAOYSA-N 445.472 4.254 5 20 IIBD O=C(NCC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1sc2ccccc2c1Cl 474494412 KANOAWXUHHZBTQ-UHFFFAOYSA-N 443.912 4.384 5 20 IIBD O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1 474647769 DJAXTTDJLBZXIJ-INIZCTEOSA-N 436.415 4.420 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O 474678913 ZLXFMJRJUJBQAO-CQSZACIVSA-N 437.283 4.445 5 20 IIBD CCOc1cc(N2CCN(Cc3ccc(OCc4cccnc4)cc3)CC2)ccc1[N+](=O)[O-] 475514224 XCDZPNWGDHMOFC-UHFFFAOYSA-N 448.523 4.290 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCCCC[C@H]1c1noc(-c2cnn(C)c2)n1 475558239 IBRJOISSFZAULQ-KRWDZBQOSA-N 439.476 4.144 5 20 IIBD CCCOc1cc(NC(=O)c2ccc(-n3cncn3)cc2C)c([N+](=O)[O-])cc1OCCC 476691536 OZFJMPWUFFUBRZ-UHFFFAOYSA-N 439.472 4.314 5 20 IIBD Cc1ccc(-c2ccc(C)c(NC(=O)c3ccc(N4C(=O)CCC4=O)c([N+](=O)[O-])c3)c2)o1 477603043 ADMMGHKCAXHVEV-UHFFFAOYSA-N 433.420 4.377 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1Cl)N(C)C 478937458 RIGWRBJKLJJWSD-SFHVURJKSA-N 437.949 4.019 5 20 IIBD CC[C@H](C)[C@@H](NCc1ccc([N+](=O)[O-])cc1F)C(=O)Nc1cccc(N2CCCC2)c1 479951416 AIMQOOXXMCVSBG-KSFYIVLOSA-N 428.508 4.477 5 20 IIBD CCc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(C(F)(F)F)cc1 480225262 FSHCJBWQAAIYCQ-UHFFFAOYSA-N 440.403 4.163 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(F)c(NC(=O)c3ccoc3C)c2)c1C 480648718 QONPOAAQMQHJRT-UHFFFAOYSA-N 447.444 4.305 5 20 IIBD COc1cccc(C(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)c2cccc(OC)c2)c1 481258925 AOGRMBWEAMLWGQ-UHFFFAOYSA-N 435.480 4.243 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NS(=O)(=O)c1c([N+](=O)[O-])ccc(C)c1C 481610142 PBNYJSOKRWFMQV-INIZCTEOSA-N 445.541 4.335 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 482040068 OIWSRZHIWBOCNB-UHFFFAOYSA-N 441.465 4.431 5 20 IIBD Cc1ccccc1COc1cccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c1 482450244 SWQGSYATIGAKGM-UHFFFAOYSA-N 429.436 4.315 5 20 IIBD O=C(NCc1cccnc1-n1cccn1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 484490603 QXVIGVWMQZSERH-UHFFFAOYSA-N 431.477 4.257 5 20 IIBD O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1cc([N+](=O)[O-])ccc1OC(F)F 485568940 LLNJXHKWVHRKHC-GOEBONIOSA-N 430.766 4.249 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(C(=O)c3cccc(OC)c3)cc2)c(C)c([N+](=O)[O-])c1 485938930 WSCQPMXSARLXIP-UHFFFAOYSA-N 448.431 4.182 5 20 IIBD O=C(NCCn1cc([N+](=O)[O-])cn1)Nc1cccc(-c2ccc(Br)cc2)c1 486356488 CSPNKLBNGYLTBE-UHFFFAOYSA-N 430.262 4.043 5 20 IIBD Cc1ccc([C@H](C)NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)cc1[N+](=O)[O-] 488035907 PUJYWMZTJCMPLP-LBPRGKRZSA-N 447.264 4.482 5 20 IIBD C[C@H](Sc1nnc(-c2ccccn2)n1-c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] 489436178 ULKMDUQMVZAHNI-HNNXBMFYSA-N 446.492 4.357 5 20 IIBD O=c1c2cnn(Cc3ccc(Cl)cc3Cl)c2ncn1Cc1ccc([N+](=O)[O-])cc1F 489786835 BXRUDJMAEVOVNV-UHFFFAOYSA-N 448.241 4.044 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)cc1[N+](=O)[O-] 491681018 UXBPSQREQKJGQM-UHFFFAOYSA-N 439.493 4.289 5 20 IIBD CC1CCN(c2ccc(C(=O)N(C)[C@H](c3ccccc3)c3ncc[nH]3)cc2[N+](=O)[O-])CC1 492579167 KEAHKRQKCFQJTC-JOCHJYFZSA-N 433.512 4.416 5 20 IIBD O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N(Cc1cccc(-c2cccnc2)c1)C1CC1 493156549 OYVZIEJSVYZETR-UHFFFAOYSA-N 440.463 4.042 5 20 IIBD CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 493565141 OXGFTDPJULGVAY-UHFFFAOYSA-N 425.485 4.222 5 20 IIBD CC(C)c1[nH]nc(C(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)c1[N+](=O)[O-] 497877333 VJPJZXANOUXXBR-AWEZNQCLSA-N 440.422 4.452 5 20 IIBD COC(=O)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)Cc1ccc2ccccc2c1 498626609 OPQQSZGCPBWOCX-QGZVFWFLSA-N 426.856 4.163 5 20 IIBD Cc1cc(C)c2nc(N(Cc3ccccc3)C(=O)Cn3cc([N+](=O)[O-])ccc3=O)sc2c1 499343889 WZHVECBFUNKBTL-UHFFFAOYSA-N 448.504 4.216 5 20 IIBD CCOc1cc(C(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)c([N+](=O)[O-])cc1OC 499966716 YQTGOKUMNFKBOG-INIZCTEOSA-N 436.411 4.411 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(C)C[C@H]1c1ccccc1 501646079 NECQPVBDRULJDC-AVRDEDQJSA-N 428.510 4.174 5 20 IIBD CCOC(=O)c1c(NC(=O)c2cc(OCC)c(OC)cc2[N+](=O)[O-])sc2c1CCCC2 502657814 ZPTZTTLQUTVIKS-UHFFFAOYSA-N 448.497 4.371 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCN[C@@H](c4cccnc4)C3)cc2[N+](=O)[O-])cc1 505535220 ATEMLPLLIWKMCJ-HXUWFJFHSA-N 434.521 4.236 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1[N+](=O)[O-])c1ccccn1 505992114 PDIVCWOQFNTARO-VGSWGCGISA-N 449.511 4.323 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(=O)N1CCCC[C@H]1C(F)F 506471829 PXNODODOIUXOSA-ZDUSSCGKSA-N 441.481 4.392 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1cccc(Cl)c1Oc1cccnc1 506547511 QXMQMIOLQKUJRG-UHFFFAOYSA-N 440.843 4.033 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 509228729 YJWXNPPBCRLGRF-FQEVSTJZSA-N 426.473 4.155 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2ccccc2OCc2ccccc2)CC1 509813505 HIIVKRZZWJSSSY-UHFFFAOYSA-N 437.521 4.193 5 20 IIBD O=C(CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 513954317 BPJQAARTAIXYOC-OAHLLOKOSA-N 430.511 4.069 5 20 IIBD CCOc1ccc(-c2nc(CS(=O)(=O)Cc3ccc(OC)c([N+](=O)[O-])c3)cs2)cc1 517950935 DEMZRLLCTGVKCT-UHFFFAOYSA-N 448.522 4.241 5 20 IIBD CC(C)N(C)CC1CCN(C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 518866123 PKRHJUFAQDYVNC-RTBURBONSA-N 430.593 4.270 5 20 IIBD COCCN([C@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 521155551 CGMNNNMQEWSGKE-CQSZACIVSA-N 446.447 4.320 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1 521765246 MLUSRUHOWSIGCP-UHFFFAOYSA-N 426.498 4.158 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccc(CN2CCCCC2=O)c1 522640309 ATERZYTWHIAFIO-UHFFFAOYSA-N 431.876 4.168 5 20 IIBD COc1ccc(CSCC(=O)N2CCSC[C@H]2c2ccc(C)cc2)cc1[N+](=O)[O-] 523847172 LGJNRJZKDYXGDQ-IBGZPJMESA-N 432.567 4.462 5 20 IIBD C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 525131469 MDIUHYORAVGJCO-IIDMSEBBSA-N 437.525 4.281 5 20 IIBD Cc1cc(NC(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)n(-c2ccc([N+](=O)[O-])cc2)n1 525139510 JHQUHFORFFXEJE-UHFFFAOYSA-N 439.447 4.465 5 20 IIBD COc1cccc(Cl)c1-c1noc(C)c1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 526003843 SUINEDHQDDNLRU-UHFFFAOYSA-N 431.832 4.029 5 20 IIBD Cc1ccc(S(=O)(=O)N(C[C@H]2CCOC2)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 531350026 WUHAWGGOHKOJQN-CQSZACIVSA-N 444.431 4.154 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(n2cc(Br)cn2)CC1 532551825 WPMABPYXRVIPQG-GFCCVEGCSA-N 447.293 4.002 5 20 IIBD COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 533050620 VYPHIPRILBSWHB-KRWDZBQOSA-N 441.267 4.114 5 20 IIBD CN1CCC(N(C)[C@H]2CCCC[C@@H]2N(C)C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 534361470 ZONWTAIXLJGMPT-VXKWHMMOSA-N 444.620 4.302 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]1Cn1cnc2ccccc21 535196023 JUJRYCQJOOTQRE-HOCLYGCPSA-N 428.876 4.056 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1)N1CCC(c2c[nH]c3ccccc23)CC1 536881270 FVQMZZBYODXRSF-UHFFFAOYSA-N 448.508 4.365 5 20 IIBD CCc1ccc([C@@H](CO)NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 539989016 CUGUSLLUGNSVMU-KSFYIVLOSA-N 434.496 4.189 5 20 IIBD CN(C)c1cc(CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])c2ccccc2n1 540587887 VZDAOWJMQUSVAZ-UHFFFAOYSA-N 427.464 4.201 5 20 IIBD COc1cc(Br)ccc1CCCS(=O)(=O)Cc1cccc([N+](=O)[O-])c1C 543146518 HRTIQQHXQWLHSL-UHFFFAOYSA-N 442.331 4.222 5 20 IIBD COc1cc(Cc2noc(/C=C\c3cccc(OC)c3OC(F)F)n2)ccc1[N+](=O)[O-] 545783797 CIOSCILSACAIHU-CLFYSBASSA-N 433.367 4.358 5 20 IIBD O=C(Cc1c(Cl)cccc1Cl)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 546039573 KEWZPRZTYFGZAS-UHFFFAOYSA-N 448.310 4.059 5 20 IIBD Cc1cnc(-c2noc(Cc3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)n2)nc1 546452643 NPOGEBKONXRTEK-UHFFFAOYSA-N 439.435 4.187 5 20 IIBD Cc1c(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)oc2c1C(=O)CCC2 547156408 ONCAUNDKXMUROY-UHFFFAOYSA-N 432.230 4.419 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 548975801 IEPSYHBFXYIQOA-GOSISDBHSA-N 428.432 4.227 5 20 IIBD CC(C)(C)c1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1C[C@H]1CCCCO1 550006557 IHDVILXETFJRDX-HXUWFJFHSA-N 443.548 4.101 5 20 IIBD Cn1ccnc1[C@H](NCc1csc(CCc2ccccc2)n1)c1cccc([N+](=O)[O-])c1 552043668 XPXFVYNEMUWIJB-JOCHJYFZSA-N 433.537 4.449 5 20 IIBD Cc1noc([C@@H]2CCCCN2C(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)n1 553729976 ZDXGBWIECRLMAU-KHYOSLBOSA-N 427.505 4.136 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC1(Cc2ccc(F)cc2Cl)CCOCC1 555696617 JDTITYBKHFAJCR-UHFFFAOYSA-N 435.883 4.016 5 20 IIBD O=[N+]([O-])c1cc2c(NCc3nc(-c4cccc(Br)c4)no3)ncnc2s1 566074117 MYDFXUDXAMNCGU-UHFFFAOYSA-N 433.247 4.024 5 20 IIBD COC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)c1ccc(F)c(F)c1 572861460 RDLRYDRJYBALIT-MRXNPFEDSA-N 429.217 4.061 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC(c2noc3cc(F)ccc23)CC1 575035582 YTTICLFXGITSER-UHFFFAOYSA-N 435.415 4.081 5 20 IIBD Cc1cccc(C2(c3noc(-c4ccc(Sc5nncn5C)c([N+](=O)[O-])c4)n3)CC2)c1 578473312 MZQRFHBJBCEIQT-UHFFFAOYSA-N 434.481 4.313 5 20 IIBD COC[C@@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)OCCc2ccccc21 583966462 DIFYKGFABFRINZ-HSZRJFAPSA-N 444.553 4.187 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N3CCC4(CCOC4)CC3)c([N+](=O)[O-])c2)c(C)c1 588040216 UFYOWPUBKYQPAW-UHFFFAOYSA-N 445.541 4.019 5 20 IIBD O=C(Nc1csc(-c2ccccc2)n1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 588079282 IHKJBSCMPLNPAT-CYBMUJFWSA-N 428.495 4.023 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)N2CCC(c3noc4cc(F)ccc34)CC2)c1[N+](=O)[O-] 589236816 JAFZMIMHOZOAAE-UHFFFAOYSA-N 433.461 4.060 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1ccc(-c2ccccn2)cc1 589597831 IDBIYIDIZVRIKF-UHFFFAOYSA-N 434.271 4.220 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC(Cc2cccc(F)c2)CC1 603928064 MFLMCYXTJUNRHZ-UHFFFAOYSA-N 425.504 4.432 5 20 IIBD Cc1cc(Oc2ccccc2)ccc1NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 609448527 SNFPLSREUNPNMH-UHFFFAOYSA-N 434.452 4.133 5 20 IIBD CCOc1cc(NC(=O)CCSc2ccc3c(c2)OCCO3)c([N+](=O)[O-])cc1OCC 609966651 BETMYFOGEKCMFL-UHFFFAOYSA-N 448.497 4.284 5 20 IIBD CCNc1ccc(C(=O)Nc2ccnn2Cc2ccccc2Br)cc1[N+](=O)[O-] 612652599 NWTZWSKNKXYXBT-UHFFFAOYSA-N 444.289 4.286 5 20 IIBD COC(=O)c1cc(NC(=O)Cc2ccc(Br)c(Cl)c2)c(C)c([N+](=O)[O-])c1 616936095 FCMZKFJTYZIGJB-UHFFFAOYSA-N 441.665 4.287 5 20 IIBD COc1ccc(NC(=O)COc2cc(F)c(Cl)cc2Br)c([N+](=O)[O-])c1 619461087 YPPXVXRMAMCGOI-UHFFFAOYSA-N 433.617 4.176 5 20 IIBD Cc1cn(-c2cccc([N+](=O)[O-])c2)c(=O)n1CC(=O)Nc1ccccc1-c1ccccc1 619571253 WJPSJGXREUJSEE-UHFFFAOYSA-N 428.448 4.161 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 619639066 QKRUMTNDQNSRES-UHFFFAOYSA-N 438.484 4.082 5 20 IIBD CCOc1cccc2cc([C@H](C)N[C@@H](C)C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])oc12 619647331 IJARRPVFXYODOS-KBPBESRZSA-N 427.457 4.426 5 20 IIBD CC(C)c1nc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cs1 726689985 QLSLTZBZIQUTHL-NSHDSACASA-N 446.510 4.482 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)O[C@H](C)c2cnc3ccccc3c2)ccc1[N+](=O)[O-] 726736338 WJGVXKCILWJOFZ-ZHRRBRCNSA-N 433.464 4.360 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc(CNC(=O)C2CCCC2)cc1 727955521 ZNGWPUMDIPJPJV-UHFFFAOYSA-N 426.469 4.157 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Oc1ccc(C(=O)N2CCc3sccc3C2)cc1 731333545 LDUISHDEPRAYJD-KMKOMSMNSA-N 434.473 4.474 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCCc1ccc(Br)s1 731921997 WHUSVWJBTRXDBI-UHFFFAOYSA-N 441.275 4.070 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl 735468142 HYFUKNSOBZEKGD-DYVFJYSZSA-N 425.913 4.085 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 740825632 OMMQAWMLWHDQLL-GOSISDBHSA-N 449.891 4.009 5 20 IIBD O=C(NCCc1nc(C(F)(F)F)cs1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 742929687 MGWUBLONLRWZKB-UHFFFAOYSA-N 428.436 4.033 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)C[C@H](Cc1ccccc1)c1ccccc1 744040949 OUSGVOPSHRBAKA-FQEVSTJZSA-N 438.505 4.125 5 20 IIBD O=C(OCc1nc(Cc2ccc(F)cc2)no1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 744894554 IKFNOXFAWLBCIY-UHFFFAOYSA-N 440.412 4.188 5 20 IIBD CCOC(=O)[C@H](Cc1ccccc1)OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 747955821 MRWFXVDZTKCYMW-SFHVURJKSA-N 426.450 4.050 5 20 IIBD COc1ccc(-c2nc(COC(=O)Cc3cccc([N+](=O)[O-])c3C)cs2)c(OC)c1 748478286 QFHCXEQYFRRKIJ-UHFFFAOYSA-N 428.466 4.330 5 20 IIBD CC(C)[C@H](CCN(C)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)NC(=O)OC(C)(C)C 749284745 RHDSCQFPIVGGHC-IBGZPJMESA-N 448.564 4.206 5 20 IIBD O=c1c2ccccc2nc(SC[C@H](O)c2cccc([N+](=O)[O-])c2)n1-c1ccc(F)cc1 749641917 UYUMIRMUPHMHMY-FQEVSTJZSA-N 437.452 4.259 5 20 IIBD O=[N+]([O-])c1cccc([C@H](O)CS(=O)(=O)Cc2ccc(Oc3ccccc3F)c(F)c2)c1 749724932 ZBMYMHBKYBEBGU-LJQANCHMSA-N 449.431 4.314 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCCCC[C@@H]1C[C@@H](O)c1cccs1 750837708 NQJDNRIXFKXNKG-VQIMIIECSA-N 445.541 4.323 5 20 IIBD CCN(CC)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2I)cc1 751040776 DRTXHVCZSAJDIO-UHFFFAOYSA-N 439.253 4.298 5 20 IIBD O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1cc([N+](=O)[O-])ccc1Br 751107563 JLMHETLLBDLDSG-INIZCTEOSA-N 431.246 4.337 5 20 IIBD COC(=O)c1occc1CN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@H](C)c1ccccn1 751128044 KFQLJLHWBZTGLL-CYBMUJFWSA-N 443.843 4.426 5 20 IIBD Cc1csc(-c2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(F)c([N+](=O)[O-])c4)C3)cc2)n1 751237476 JEMYFLNLSCUMCW-CQSZACIVSA-N 440.456 4.157 5 20 IIBD CC(C)CNC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1Cl 751272562 NTVYUHFFSSRNSX-UHFFFAOYSA-N 446.312 4.088 5 20 IIBD O=C(COc1ccc(Br)cc1Cl)OCc1nc2cc([N+](=O)[O-])ccc2o1 751637576 YLRKZZLTRMZAJY-UHFFFAOYSA-N 441.621 4.274 5 20 IIBD Cc1cc(COC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)nc(-c2ccc(Cl)cc2)n1 751670704 LILCJZDJTIBBTD-UHFFFAOYSA-N 437.843 4.107 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)OC[C@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)c1 751885017 OQOIJKXJNVOLGT-SFHVURJKSA-N 432.395 4.250 5 20 IIBD CCC(C)(C)OCc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 754633281 SAEDQZFKEHUUID-MRXNPFEDSA-N 443.475 4.431 5 20 IIBD CCN(c1ccc(NC(=O)COC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1)C(C)C 755059751 GNLLQPRJHYZCGZ-OAHLLOKOSA-N 431.464 4.254 5 20 IIBD O=C(NCc1cccc(OCc2ccccn2)c1)NCc1cc([N+](=O)[O-])ccc1Cl 756921542 MBFOLGOAQWIYFW-UHFFFAOYSA-N 426.860 4.222 5 20 IIBD COc1ccc(C(=O)C(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])cc1Cl 760639948 WYZAZMMALHNHFU-FQEVSTJZSA-N 426.812 4.167 5 20 IIBD CC(C)NC(=O)Nc1cccc(-c2noc(-c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)n2)c1 761732351 FYKWWDAYCLCLKV-UHFFFAOYSA-N 433.428 4.027 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1nnc([C@@H]2CCCc3ccccc32)s1 762511675 HXADWXIZVCRHCH-OAHLLOKOSA-N 428.445 4.071 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)c1nc2ccccc2n1C 762559398 NYODPCXQPFCQSC-ZDUSSCGKSA-N 443.481 4.055 5 20 IIBD Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 764303175 TUORHCWPEXMMAU-GOSISDBHSA-N 439.903 4.452 5 20 IIBD O=C(c1cc2occc2s1)N1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 765512842 CUESNBHWUKWVSX-UHFFFAOYSA-N 436.287 4.127 5 20 IIBD CN(Cc1cc(Cl)cc(Cl)c1)C(=O)COC(=O)c1ccc([N+](=O)[O-])c2cccnc12 766219925 JGNSLIDJSSFCRR-UHFFFAOYSA-N 448.262 4.265 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)N[C@@H](C)c1ccc(Cl)cc1 766223921 IWJKFPIDJBTZQD-STQMWFEESA-N 427.844 4.219 5 20 IIBD COc1cc(OC)c2cc(CCCNC3CCN(c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2c1 766540961 PJLMHTLMRUDNMF-UHFFFAOYSA-N 438.528 4.285 5 20 IIBD CNC(=O)c1cc(OC)ccc1NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 769167011 NDBMSEFSUCTRLA-UHFFFAOYSA-N 437.477 4.367 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN3CCC(C4OCCO4)CC3)o2)c(Br)c1 769301434 QWZQGQGHNCOIMW-UHFFFAOYSA-N 437.290 4.202 5 20 IIBD Cc1c(C(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 769363578 VMGRODCBOJHPOK-ZDUSSCGKSA-N 430.486 4.167 5 20 IIBD CC(C)CC(=O)N[C@H](C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 773412705 AZHFATUFAJTXRR-IBGZPJMESA-N 449.301 4.304 5 20 IIBD O=[N+]([O-])c1ccc([C@H](O)CSc2nnc(-c3ccccc3F)n2Cc2ccco2)cc1 776276754 KDTTZDVCYIURIU-LJQANCHMSA-N 440.456 4.459 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 777660761 JOSFYTXWTRDHNP-LLVKDONJSA-N 447.296 4.118 5 20 IIBD O=C(NC[C@H](O)c1cccc(OCc2ccccc2)c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 778349245 VYNCHJQNDGMHMX-NRFANRHFSA-N 442.418 4.115 5 20 IIBD Cc1cc(S(=O)(=O)Oc2ccc(C(=O)Nc3ccccc3)cc2)cc([N+](=O)[O-])c1F 778660997 RSIBGDNZLQOFOD-UHFFFAOYSA-N 430.413 4.062 5 20 IIBD COc1cc(COC(=O)Cc2c[nH]c3cccc(C)c23)c([N+](=O)[O-])cc1OCC(F)F 780064162 TYFXQYWRAKKQBE-UHFFFAOYSA-N 434.395 4.323 5 20 IIBD C[C@H](OC(=O)c1csc(-c2ccc(F)c(F)c2)n1)C(=O)Nc1ccccc1[N+](=O)[O-] 780134114 DGSQATYRDWMFOY-JTQLQIEISA-N 433.392 4.181 5 20 IIBD CCCC(=O)Nc1ccc(Cl)c(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c1 781769831 JGCPUXJYAXCKRD-SFHVURJKSA-N 430.848 4.119 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](OC(=O)[C@H](O)C1CCCCC1)c1ccccc1 782373011 WETFMCMAUIXFIJ-WOJBJXKFSA-N 446.887 4.412 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2cnc(OCC(C)C)c(Cl)c2)cccc1[N+](=O)[O-] 783276746 ORPWBUDSVVJIND-CYBMUJFWSA-N 435.864 4.170 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cccc(N2CCOC2=O)c1C 786258572 ABCKNWFMHGTWFF-UHFFFAOYSA-N 434.246 4.183 5 20 IIBD C[C@@H](CC(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1c[nH]c2ccccc12 786404579 OFYGJRKRQMUBRL-IRXDYDNUSA-N 435.480 4.418 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 787665776 CMKOODIECSTZHI-UHFFFAOYSA-N 432.476 4.394 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccnc(Oc2ccc(F)cc2F)c1 789046662 ZZEOWMWAXGMJOG-UHFFFAOYSA-N 444.346 4.284 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 790208382 LMJOHRIHHBJQFZ-AEFFLSMTSA-N 425.485 4.340 5 20 IIBD Cc1csc(-c2cccc(OS(=O)(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)c2)n1 790840814 YJRYEKZCQKVUAP-UHFFFAOYSA-N 449.466 4.319 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(COc3c(C(F)(F)F)ccnc3Br)o2)cc1 791428458 XYZOSKAIQSZJOX-UHFFFAOYSA-N 445.151 4.400 5 20 IIBD CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 792087557 WTGKBUKHSXKJPN-FOIQADDNSA-N 437.449 4.020 5 20 IIBD Cc1nn(CN2CCC[C@@H]2c2ccc(Br)c(F)c2)c2ncc([N+](=O)[O-])cc12 797414374 YGODDXSMRRTHQE-QGZVFWFLSA-N 434.269 4.344 5 20 IIBD COc1cc(COC(=O)c2c(F)cccc2SC)c([N+](=O)[O-])cc1OCC(F)F 798753523 IOVMHCDVWLMMGJ-UHFFFAOYSA-N 431.388 4.465 5 20 IIBD CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 800213492 ZVZRJRZMJAOLOU-UHFFFAOYSA-N 444.702 4.334 5 20 IIBD C[C@H]1C[C@@H](C)O[C@H]1C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 800305299 JNYFDYXATREIRA-AUECHSEWSA-N 432.860 4.285 5 20 IIBD O=C1CCC(COC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 803264553 UJAGOBKEVHQMPJ-UHFFFAOYSA-N 433.464 4.293 5 20 IIBD CC(C)(C)OC(=O)N1CCC(c2csc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)n2)CC1 807884454 YMRIQNGHSUWZFO-UHFFFAOYSA-N 448.501 4.124 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)C1 810952572 RYEZXPDVJYHSOQ-OAHLLOKOSA-N 437.924 4.357 5 20 IIBD CCn1cc(C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c(C(F)(F)F)n1 811217920 GRMAINQLHRJSOB-UHFFFAOYSA-N 426.376 4.311 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H](C2CCN(c3ncnc4cccc([N+](=O)[O-])c34)CC2)C1 811861210 XLVAXMGHZIBANS-INIZCTEOSA-N 427.505 4.011 5 20 IIBD CC(C)(C)OC(=O)N[C@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1ccccc1 814118168 RZZGCOVZCCKHFT-GOSISDBHSA-N 427.501 4.255 5 20 IIBD O=C(COC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)Nc1ccc(-c2ccccc2)cc1 849194265 HGDFODNQUVGJCA-UHFFFAOYSA-N 442.431 4.243 5 20 IIBD COc1ccc2c(ccn2CC(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 915810658 GJLXJUHQVCENLO-UHFFFAOYSA-N 445.431 4.416 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Oc1cc(C)c(Cl)c(C)c1 916862645 BRPNQHIKYUSMNX-QGZVFWFLSA-N 436.917 4.322 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(Cl)cc1NC(=O)c1ccco1 918095280 VFKLLVRKSWJSOG-UHFFFAOYSA-N 439.815 4.082 5 20 IIBD COc1ccc(COC(=O)Cc2c(C)[nH]c3ccc(Br)cc23)cc1[N+](=O)[O-] 919108576 VJUIACYHJFYGEU-UHFFFAOYSA-N 433.258 4.442 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc1 1116244106 AVJSBMZZIWPGDR-UHFFFAOYSA-N 426.473 4.210 5 20 IIBD O=[N+]([O-])c1cnn(CCc2nnc(-c3cc(-c4ccc(F)cc4)nc4ccccc34)o2)c1 1326115491 CPFPZACWHOOGIO-UHFFFAOYSA-N 430.399 4.438 5 20 IIBD Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br 1355129501 HBJSVDKWLZXNCP-QGZVFWFLSA-N 435.322 4.384 5 20 IIBD O=C(CC1CC1)Nc1ccc(C2(NC(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)CCC2)cc1 1787826156 DNQIMMHEIDDXSV-UHFFFAOYSA-N 433.468 4.019 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3cccc(F)c3F)CCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 1790187365 ZLHVSDZXYANYEK-UHFFFAOYSA-N 440.406 4.263 5 20 IIBD C[C@H](C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc([N+](=O)[O-])o3)CCC2)cc1)n1cccc1 1791784064 HAJHFQZREQOVTM-QXLXQBSBSA-N 448.479 4.398 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2ccccc12)c1cccc(F)c1[N+](=O)[O-] 1797299980 DMLXZZYSUGHNJW-BCDXTJNWSA-N 447.466 4.453 5 20 IIBD CC(C)=CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2cccc([N+](=O)[O-])c2)CCC1 1800040450 VCZMSDSJTGERFM-WKCHPHFGSA-N 439.556 4.401 5 20 IIBD CC(C)(C)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)[nH]n1 1816754114 DUPSPYOKQWOHQS-MNDMWVCDSA-N 429.477 4.053 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)n[nH]1 1823281898 MKJDVTNKGXZLAL-YOEHRIQHSA-N 443.504 4.069 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)F)CC1 1830729231 JKKMPJGZDAIVTG-SFHVURJKSA-N 437.487 4.024 5 20 IIBD CC1(C)CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)C1 1831931291 UXFPNFQGPFTQPM-OAQYLSRUSA-N 445.535 4.403 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1OC(F)F 8853986 JMBDWUQZTVGLLY-VIFPVBQESA-N 444.774 4.042 5 20 IIBD COc1cc(CSc2nnnn2-c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC(F)F 12721228 WYNAWKASWALPHQ-UHFFFAOYSA-N 443.819 4.126 5 20 IIBD CNc1ccc(C(=O)N(C)Cc2ccc(OCc3ccccc3)c(OC)c2)cc1[N+](=O)[O-] 18134635 ZNSDPQOLEWVRPQ-UHFFFAOYSA-N 435.480 4.496 5 20 IIBD COc1ccccc1N(C(C)=O)c1nc(COC(=O)c2ccc([N+](=O)[O-])c(C)c2)cs1 21900900 LYQSLHYBCMVNPB-UHFFFAOYSA-N 441.465 4.410 5 20 IIBD CCn1c(C)cc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1C 26618456 MRUACIOIERTNLA-AWEZNQCLSA-N 442.497 4.341 5 20 IIBD CCOc1ccc(NC(=O)CN2CCC(C(=O)c3ccc(C)cc3C)CC2)c([N+](=O)[O-])c1 26639262 TUOHHZKOYNZDOZ-UHFFFAOYSA-N 439.512 4.144 5 20 IIBD CC(=O)Nc1ccc(Cl)cc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 58719069 RJNUSVBICVLTNT-UHFFFAOYSA-N 431.754 4.400 5 20 IIBD COc1cc(C(=O)NCc2ccc(Oc3cc(C)ccc3C)nc2)c([N+](=O)[O-])cc1OC 60691336 VNAIESSFUXSIBP-UHFFFAOYSA-N 437.452 4.346 5 20 IIBD C[C@@H](NC(=O)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)c1ccc(Cl)cc1Cl 60826315 DXYGEZATEWNEQZ-GFCCVEGCSA-N 447.278 4.003 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C(C)C 61205099 YTNYAPUSTMMEEH-UHFFFAOYSA-N 430.848 4.358 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCCNc1ccc(C(F)(F)F)cn1 64724641 WGONFQCEINRNSK-LLVKDONJSA-N 446.813 4.048 5 20 IIBD C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 69525132 YBGDOAAIQADDCX-ZDUSSCGKSA-N 437.905 4.064 5 20 IIBD COc1cc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)ccc1OC1CCCC1 107883079 LJABMIPEDDIUIL-OAHLLOKOSA-N 427.501 4.482 5 20 IIBD COc1ccc(CSCC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)cc1[N+](=O)[O-] 195535578 ZJJDBRVLIKNJFN-UHFFFAOYSA-N 430.461 4.109 5 20 IIBD COc1cc(N[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c(F)cc1[N+](=O)[O-] 301984402 BCJPJNOFBFCXTQ-HNNXBMFYSA-N 441.381 4.364 5 20 IIBD Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 303195405 WEXVMBLVKBXUPT-QGZVFWFLSA-N 430.936 4.391 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(CCCO)[C@@H]1CCc2ccccc21 426258890 VVMDAMJYIHOSEL-LJQANCHMSA-N 437.418 4.195 5 20 IIBD CCc1nc(CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)ccc1C(=O)O 426652404 TYJURANIHYXGON-UHFFFAOYSA-N 425.416 4.472 5 20 IIBD O=C([C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 427822226 YPMUJBYQHGBACF-IAGOWNOFSA-N 437.525 4.315 5 20 IIBD CC[C@@]1(CO)CCCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 428525398 NQIFAGWXSBQLJP-JOCHJYFZSA-N 445.903 4.125 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)Nc1ccc2c(c1)C(=O)CCC2)c1ccccc1[N+](=O)[O-] 428763784 KLUWOFSRRJVBTB-IBGZPJMESA-N 439.468 4.318 5 20 IIBD CCOc1cc(C(=O)N[C@H](c2ccco2)c2ccccc2OC)c([N+](=O)[O-])cc1OC 431108450 AIJZJCOAZHNOBJ-NRFANRHFSA-N 426.425 4.123 5 20 IIBD C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 431479982 ZSUWOKKBGPSBLU-HNNXBMFYSA-N 432.318 4.094 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC2(CCN(Cc3ccccc3)CC2)C1 433042314 FXAARDXLHKHZLG-UHFFFAOYSA-N 436.556 4.220 5 20 IIBD CSCCCCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435503791 XAFBBYOGENXJEK-UHFFFAOYSA-N 425.557 4.005 5 20 IIBD CCc1ccccc1NC(=O)CN(C)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 435816488 JUIGMSCKYVANGR-UHFFFAOYSA-N 431.467 4.094 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 435946183 WVIDBSFXGQKTTL-SFHVURJKSA-N 441.535 4.019 5 20 IIBD Cc1cc(C)n(-c2ccc(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)cn2)n1 436089363 JALLIMSQXREWJB-UHFFFAOYSA-N 445.429 4.409 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCO[C@H](c2ccc(F)c(F)c2)C1 436353699 NKGIMLMMSMSIAV-FQEVSTJZSA-N 438.405 4.312 5 20 IIBD COc1cc(OCC(=O)N2CCC(c3ccccc3Br)CC2)ccc1[N+](=O)[O-] 439023342 PRMKODOHJMJNQC-UHFFFAOYSA-N 449.301 4.151 5 20 IIBD CCOC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 439242302 AQSNYZXBAJLKKV-UHFFFAOYSA-N 431.448 4.427 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 440103564 JVRLELRGHKBMQI-UMSPYCQHSA-N 426.231 4.042 5 20 IIBD O=[N+]([O-])c1cccc(-c2ncn(Cc3ccnc(-c4ccc(Br)cc4)n3)n2)c1 440862685 AESLERWEWMACQP-UHFFFAOYSA-N 437.257 4.121 5 20 IIBD O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1ccc2[nH]c3ccccc3c(=O)c2c1 444019253 HXYIUVRXZFZDAU-UHFFFAOYSA-N 430.851 4.315 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCO[C@H](CCc2ccccc2)C1 444307928 GJZVIKCFDZLFNG-GOSISDBHSA-N 448.469 4.433 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1ccc(Cl)cc1OCC(F)(F)F 444897572 FBRFAJFQPOMUCV-UHFFFAOYSA-N 443.769 4.387 5 20 IIBD Cc1c(Br)cc(-c2nc(CC(=O)N[C@H](C)c3ccccc3)no2)cc1[N+](=O)[O-] 445290479 CJBLQAIASOFVCH-GFCCVEGCSA-N 445.273 4.136 5 20 IIBD C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br 446046379 TUGGPNBHNBFZMF-INIZCTEOSA-N 446.345 4.023 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCCOC1CCN(Cc2ccccc2)CC1 446490028 HHORAUXKQYIUDT-UHFFFAOYSA-N 426.517 4.096 5 20 IIBD Cc1cc(N2CC[C@H](N(C)Cc3noc(C(C)C)n3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] 461960429 RJJISXVNJDXMQC-ZDUSSCGKSA-N 427.427 4.139 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CSC[C@H]1C(=O)Nc1ccccc1C 462492173 URBJCJOKXHBJMY-XLIONFOSSA-N 427.526 4.012 5 20 IIBD O=C1CN(Cc2cccc(NCc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c2)CCN1 462826087 PIQDZUAIEROJRX-UHFFFAOYSA-N 440.887 4.052 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NCC1(c2cccc(F)c2)CCCCC1 465175818 JPGNQKARQBQKSI-UHFFFAOYSA-N 428.460 4.066 5 20 IIBD Cc1ccc(NC(=O)c2ccccc2)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 466967777 RECKHQWTRVCSGG-UHFFFAOYSA-N 431.495 4.326 5 20 IIBD O=C(N[C@H](CO)CC(F)(F)F)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 468324814 AAXYOMALHKMPLI-NSHDSACASA-N 434.823 4.443 5 20 IIBD Cc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 470238029 CXXJCBYLCFANEQ-ZDUSSCGKSA-N 427.404 4.227 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 472602634 BBPDCUHPBWKMQR-FQEVSTJZSA-N 443.381 4.051 5 20 IIBD CCOc1cc(NC(=O)[C@H]2C[C@@H]2c2cc(OC)ccc2OC)c([N+](=O)[O-])cc1OCC 472812214 RLNMRSOQAZMPGI-ZBFHGGJFSA-N 430.457 4.152 5 20 IIBD Cc1ccc(-c2noc([C@H](C)NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)n2)cc1F 473080323 LCSKXAZSZJSPNF-AWEZNQCLSA-N 427.436 4.162 5 20 IIBD CNC(=O)c1cc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3SCC(C)C)ccc2[nH]1 473572166 WSQNTVLUMXALFA-UHFFFAOYSA-N 426.498 4.436 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@@]4(CCCN(Cc5ccccc5)C4)C3)n2)c1 475734295 XMKVMGYIWBUNMG-XMMPIXPASA-N 433.512 4.133 5 20 IIBD COC(=O)c1cnc(N(C)Cc2ccc(OCc3ccccc3)c(OC)c2)c([N+](=O)[O-])c1 478275579 DUXDOBURGQQSRX-UHFFFAOYSA-N 437.452 4.000 5 20 IIBD COCCN(C(=O)c1ccc(F)c(OC)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 479071948 TYSKTTCBIKOJSI-UHFFFAOYSA-N 431.445 4.159 5 20 IIBD O=C(NCc1ccc(Oc2cccnc2)c(F)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 479740760 GEQPAVZFSFIXTD-UHFFFAOYSA-N 433.399 4.037 5 20 IIBD O=C(NCCc1nc2ccc(F)cc2[nH]1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 480063624 WCJKZFKVSZVFCM-UHFFFAOYSA-N 433.443 4.195 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccc(C(F)(F)F)nn2)cc1[N+](=O)[O-])c1ccccn1 484183556 ZRBIQFBIGSIAPE-NSHDSACASA-N 432.362 4.224 5 20 IIBD COc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1Br 485043304 FKHPKNYRJKFMBG-SECBINFHSA-N 445.216 4.458 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 485448776 AQAKHIISKAKIDI-UHFFFAOYSA-N 446.481 4.298 5 20 IIBD CCOC(=O)[C@@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1cccc(C)c1C 485777140 YFRNWMBJPNOOAY-AWEZNQCLSA-N 441.303 4.070 5 20 IIBD CCNC(=O)C1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CCC1 486859552 ZQKGCFPTTNUEGC-UHFFFAOYSA-N 436.306 4.013 5 20 IIBD O=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 486997901 MQNJWXYQSHEXLJ-UHFFFAOYSA-N 437.934 4.036 5 20 IIBD C[C@@H](NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)C(=O)N1CCCC[C@H]1C 487348795 ZHTZUOUFSSFOFX-HZPDHXFCSA-N 427.526 4.265 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1 489440065 OQBOLLTZQWODON-UHFFFAOYSA-N 439.453 4.127 5 20 IIBD COc1ccccc1-c1noc([C@H](C)NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 489483567 SNTFXTDFWXUPNQ-KBPBESRZSA-N 425.445 4.083 5 20 IIBD CS(=O)(=O)c1cccc(Nc2cccc(C[S@@](=O)c3ccccc3)c2)c1[N+](=O)[O-] 497532290 DGWZRUUBACSKBY-MUUNZHRXSA-N 430.507 4.050 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@]2(Cc3ccc(Cl)cc3)CCOC2)cc1SC 500306068 QPJTVBLHVQEYCL-FQEVSTJZSA-N 436.917 4.110 5 20 IIBD C[C@@]1(F)CCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)C1 501432967 DVVPHSVEYWCYMJ-IEBWSBKVSA-N 436.281 4.471 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@H](C)[C@H]2CCCOC2)c([N+](=O)[O-])c1 503297782 ZXIGUGYCNIUNIG-SJORKVTESA-N 433.530 4.037 5 20 IIBD CCOc1cc(NC(=O)NCc2ccc(NC(=O)C(C)C)cc2)c([N+](=O)[O-])cc1OCC 505040716 WFJGTUQLMABMCH-UHFFFAOYSA-N 444.488 4.308 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 505314166 LLLBZBSXOJXCNK-HXUWFJFHSA-N 431.452 4.353 5 20 IIBD Cc1cccc(C)c1NC(=O)CN1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 506025804 HTCJIBLGJPTHHZ-UHFFFAOYSA-N 448.523 4.228 5 20 IIBD CCOc1cc(CNc2ccc3c(c2)COC3)ccc1OCCn1c([N+](=O)[O-])cnc1C 507765126 ASLULIPZHAXGDY-UHFFFAOYSA-N 438.484 4.220 5 20 IIBD CC[C@@](C)(NC(=O)c1cc([N+](=O)[O-])cc(I)c1C)c1nccs1 509433447 YBMGIKGQPVFRII-OAHLLOKOSA-N 445.282 4.020 5 20 IIBD CCOc1cc(C(=O)NCC[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC 510168170 PIRXRIJBZLWZJX-MJGOQNOKSA-N 441.528 4.033 5 20 IIBD COc1ccc(-c2ccc(CN3CCCN(C(=O)c4ccsc4)CC3)o2)c([N+](=O)[O-])c1 510450427 VCHPLSPEFVOMIQ-UHFFFAOYSA-N 441.509 4.273 5 20 IIBD CO[C@H](C)c1nc(=NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)s[nH]1 511062146 FHBPJNGKDZAJAE-SNVBAGLBSA-N 434.861 4.274 5 20 IIBD COc1cc(F)c([C@H](C)NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1OC 512736608 VYCQJTKOSBRUCX-VIFPVBQESA-N 429.351 4.235 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cccc(N4CCCC4=O)c3)cc2[N+](=O)[O-])C1 513837556 CCMWGATYKAKAQI-IRXDYDNUSA-N 436.512 4.456 5 20 IIBD CC1CCN(c2ccc(C(=O)NC[C@H](c3cccs3)N3CCCC3)cc2[N+](=O)[O-])CC1 514707747 IAGRJZYYHFBZLT-OAQYLSRUSA-N 442.585 4.460 5 20 IIBD CC(C)Oc1ccc([C@@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)N(C)C)cc1 515014641 OXCQPWRFBLZCME-OAQYLSRUSA-N 431.508 4.218 5 20 IIBD CCCOc1cc(NC(=O)c2nnn(-c3ccccc3)c2C)c([N+](=O)[O-])cc1OCCC 515602466 CYYFMCCXYXKRPB-UHFFFAOYSA-N 439.472 4.314 5 20 IIBD O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 517477888 VQJGCKJCKUZDJS-CYBMUJFWSA-N 444.285 4.360 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(NC(=O)C3CC3)nc2)cc1 518730189 WCJHRQRFUROQJF-UHFFFAOYSA-N 448.435 4.392 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1 518952277 SGHOGSQYSFCRFL-OAHLLOKOSA-N 448.614 4.174 5 20 IIBD CC[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 522542995 CGUQIUSGCYEDCV-CVEARBPZSA-N 435.933 4.052 5 20 IIBD O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1nc(C2CC2)n(-c2ccccc2Cl)n1 523161541 JQHZPKNXSRFNQH-UHFFFAOYSA-N 449.858 4.349 5 20 IIBD Cc1ccc(-n2nc(C(C)C)cc2NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)cc1 523513877 CHAYZTMWTGZSKH-UHFFFAOYSA-N 431.456 4.045 5 20 IIBD CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCc1cccc(C(=O)NCc2ccco2)c1 524615053 KAWBVSQQNLMXIW-UHFFFAOYSA-N 441.415 4.046 5 20 IIBD CNC(=O)c1cccc(CCNC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)c1 525379486 AXTOMOBEAWEVDD-UHFFFAOYSA-N 449.532 4.387 5 20 IIBD O=C(Nc1cc(F)ccc1OCC(F)(F)F)N1CCN(c2ccccc2[N+](=O)[O-])CC1 530745261 QOCSJNBQUZSLQG-UHFFFAOYSA-N 442.369 4.029 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 530788423 BQSXFINASGUZQT-UHFFFAOYSA-N 435.446 4.281 5 20 IIBD COc1ccc(CC[C@@H]2CCCCN2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1OC 532527723 WRQFHYTYLBICMC-FQEVSTJZSA-N 441.528 4.062 5 20 IIBD O=C(CSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)NCCOc1cccc(Cl)c1 534058177 ULPHKKQEXOVIIG-UHFFFAOYSA-N 447.900 4.332 5 20 IIBD COc1ccc(Cl)cc1C1(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCOCC1 534957989 RVKDMGMQSZKWRC-UHFFFAOYSA-N 443.887 4.216 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccc4c(c3)nc(C3CC3)n4C)cc2)c(C)c1[N+](=O)[O-] 536320799 NJXDOXUJGJOJEO-UHFFFAOYSA-N 444.495 4.473 5 20 IIBD CCO[C@H]1C[C@@H](O)C12CCN(Cc1ccc(N(C)c3ccccc3)c([N+](=O)[O-])c1)CC2 536660734 PMDNJMLWZBONOU-PKTZIBPZSA-N 425.529 4.115 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 538042223 UALFHEXLURJFMZ-ZMZPIMSZSA-N 432.274 4.345 5 20 IIBD Cc1cc(OCC(=O)O)ccc1NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 539572932 IMPFUNSPLIBULY-HUUCEWRRSA-N 441.484 4.101 5 20 IIBD O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 541323159 GQAAIDBRLZIBPM-MEDUHNTESA-N 438.324 4.247 5 20 IIBD CCCc1c(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cnn1-c1cccc(F)c1 542456867 WKBBKCHPWMUTNW-UHFFFAOYSA-N 434.431 4.310 5 20 IIBD CCOc1ccc(C(=O)N(C)C)cc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 543164103 XBZSHKLZXZWEAR-UHFFFAOYSA-N 437.905 4.080 5 20 IIBD O=[N+]([O-])c1ccccc1Cc1noc(-c2cnn(-c3ccc(Br)cc3)c2)n1 544913679 IIJUIBFZKPTDJE-UHFFFAOYSA-N 426.230 4.184 5 20 IIBD CN(C(=O)c1ccncc1)c1ccc(-c2noc(/C=C/c3cccc([N+](=O)[O-])c3)n2)cc1 547134319 UWXBDJWMXXQKIR-BJMVGYQFSA-N 427.420 4.487 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)cc1[N+](=O)[O-] 551475300 VKBDVQBOCQERHR-SFHVURJKSA-N 441.484 4.027 5 20 IIBD CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 551906670 RNTCYKLKGKMRMU-MRXNPFEDSA-N 427.501 4.029 5 20 IIBD O=C(N[C@H](CCO)c1ccc(Cl)c(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 553429123 PWHDCXDVFNRYET-QGZVFWFLSA-N 438.311 4.355 5 20 IIBD COc1ccc([C@@H](C)NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c(C)c1OC 554407865 ZRWHLQJGAQCLHY-LLVKDONJSA-N 425.388 4.405 5 20 IIBD O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 560678675 YIGMIYJJVZHHSY-FQEVSTJZSA-N 433.464 4.206 5 20 IIBD CC(C)(NC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)c1ccccc1[N+](=O)[O-] 561697789 VBJPGOKCJCZTCR-UHFFFAOYSA-N 435.402 4.406 5 20 IIBD Cc1noc(C)c1COc1ccccc1-c1nc(CCNc2ccccc2[N+](=O)[O-])no1 564247551 ZQUROWZASDQODR-UHFFFAOYSA-N 435.440 4.483 5 20 IIBD CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NCc1ccccc1[N+](=O)[O-] 565498958 KMLZFUVJMAJGPJ-UHFFFAOYSA-N 434.562 4.084 5 20 IIBD COC(=O)c1cc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c(C)cc1Br 578089133 AUXBDSMTVMHDFN-SNVBAGLBSA-N 439.237 4.334 5 20 IIBD COC(=O)c1nc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)sc1C(C)C 579760970 DETMDMOAOHABCN-UHFFFAOYSA-N 446.529 4.450 5 20 IIBD CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)NCc3cccc([N+](=O)[O-])c3)cc2)cc1 582499289 QMYIQVKGTGNWTJ-UHFFFAOYSA-N 441.465 4.112 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[C@H]2C(F)(F)F)cc1[N+](=O)[O-] 585758775 ZOQDPGYZFLPNTM-GXTWGEPZSA-N 429.439 4.316 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 603501596 SUHLEUHMBGAGNG-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD CCNc1ccc(C(=O)Nc2nc3c(s2)CCN(Cc2ccccc2)C3)cc1[N+](=O)[O-] 603756534 UFZUAMRZOXDOQP-UHFFFAOYSA-N 437.525 4.294 5 20 IIBD Cc1cccc(Oc2ncccc2NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)c1C 608877281 XGDROLXHTRITDY-MRXNPFEDSA-N 434.452 4.156 5 20 IIBD Cc1ccc(-n2nc(C(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCCO4)c3c2CCCC3)cc1 609371692 JSNQDRSLBIHSBE-UHFFFAOYSA-N 448.479 4.381 5 20 IIBD O=C(Nc1cc(F)ccc1SCC(F)F)N1CCN(c2ccccc2[N+](=O)[O-])CC1 610019808 ULMGPOPYVYIXPF-UHFFFAOYSA-N 440.447 4.445 5 20 IIBD O=C(NCCCNc1ccc(C(F)(F)F)cn1)c1ccc([N+](=O)[O-])cc1Br 610060437 BNXBMTYPVKCWAA-UHFFFAOYSA-N 447.211 4.003 5 20 IIBD CCOc1ccc(Br)cc1S(=O)(=O)Nc1c(C)ccc([N+](=O)[O-])c1C 611343883 LYAUUCUULXNRHP-UHFFFAOYSA-N 429.292 4.174 5 20 IIBD CCOC(=O)c1sc(-c2ccc(OC)cc2)cc1NC(=O)c1cc([N+](=O)[O-])cn1C 612607602 VRMZOVNBRMTLQG-UHFFFAOYSA-N 429.454 4.099 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCC(c2nnc(O)o2)CC1 619872427 HUUWUJIZVMJMKM-UHFFFAOYSA-N 444.831 4.149 5 20 IIBD CCOc1ccc(NC(=O)c2cc3ccccc3c3cccnc23)cc1S(=O)(=O)N(C)C 643127105 SVOGTYMFSOUDCK-UHFFFAOYSA-N 449.532 4.289 5 20 IIBD Cc1ccc(F)c(C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 727214043 RORXUJQMZUJSTM-GFCCVEGCSA-N 429.429 4.350 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1cc(C)cc([N+](=O)[O-])c1N)c1ccccc1 727901008 RTIZHSSSHANAIP-QFIPXVFZSA-N 449.463 4.339 5 20 IIBD Cc1nc(CC(C)C)sc1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 727915183 LRBDRIGMOGTGDO-NSHDSACASA-N 425.894 4.396 5 20 IIBD NC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cc([N+](=O)[O-])ccc1Br 728457181 IXQVZTWHQVXSFR-UHFFFAOYSA-N 446.282 4.437 5 20 IIBD O=C(COC(=O)C[C@@H](c1ccccc1)C(F)(F)F)Nc1ccc(Cl)cc1[N+](=O)[O-] 728651961 DDBVNLPBYHDJLX-ZDUSSCGKSA-N 430.766 4.466 5 20 IIBD Cc1nn(CCC(=O)Nc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)c(C)c1[N+](=O)[O-] 729411903 FVWPEOIQNWYURA-UHFFFAOYSA-N 443.504 4.125 5 20 IIBD Cc1cc(S(=O)(=O)Nc2cccc(CC[C@H](O)c3ccccc3)c2)ccc1[N+](=O)[O-] 734416698 ZNSBJOMXLVQBLG-QFIPXVFZSA-N 426.494 4.370 5 20 IIBD O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 735351255 XAGTYYVZWPLRCS-WOJBJXKFSA-N 432.432 4.393 5 20 IIBD CCc1ccccc1-n1cnnc1SCC(=O)Oc1cc([N+](=O)[O-])c(Cl)cc1C 735791107 KILWNKLMHVZMFR-UHFFFAOYSA-N 432.889 4.397 5 20 IIBD O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)OCc1ccc(Cl)c([N+](=O)[O-])c1 735800541 KIRKXWIWQNWLEA-UHFFFAOYSA-N 447.900 4.032 5 20 IIBD COc1cc(CNc2ccc(O[C@@H]3CCOC3)cc2)c([N+](=O)[O-])cc1OCC(F)(F)F 740018408 OIOCDBLAUWTOHX-MRXNPFEDSA-N 442.390 4.324 5 20 IIBD CC[C@@H](C)[C@H](C(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C)N1C(=O)c2ccccc2C1=O 741935392 YUCNUFHQGUOTBQ-ADLMAVQZSA-N 429.860 4.206 5 20 IIBD C[C@H]1Cc2ccccc2N1C1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 744206397 HTOCVYLHCXDZSK-HNNXBMFYSA-N 428.920 4.102 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2nc3ccccc3n2CCc2ccccn2)cc1[N+](=O)[O-] 748437798 ZLHMJOMXOFBGPP-UHFFFAOYSA-N 446.423 4.051 5 20 IIBD Cc1c(C(=O)NCc2ccc(-n3cnc4ccccc43)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748639368 XOEPWKAGLHLVKV-UHFFFAOYSA-N 445.435 4.389 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1C[C@@H]1c1ccc(Br)cc1 748910123 JLUQJXJSCDVYJB-HZPDHXFCSA-N 444.241 4.254 5 20 IIBD C[C@H](C(=O)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1cnn(C)c1 750556346 AYQWWKCAEWSIDI-DJJJIMSYSA-N 442.859 4.008 5 20 IIBD C[C@H](C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1cnn(C)c1 750559411 DUSYJSSMIOFQCP-ORAYPTAESA-N 442.859 4.008 5 20 IIBD C[C@@H]1COCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)C1 754235457 SIEMMQPFWKKXIX-IBGZPJMESA-N 437.540 4.162 5 20 IIBD Cn1cc(CCC(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc21 756669146 LRMBOGHOVNUYBT-UHFFFAOYSA-N 449.385 4.220 5 20 IIBD COc1cccc(Oc2ncccc2CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c1 756967169 RILDADAJHHRYMP-UHFFFAOYSA-N 442.859 4.444 5 20 IIBD CC[C@@H]1CC[C@H](C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)O1 757120874 AALDJTHTHQUUEQ-ATZDWAIDSA-N 432.860 4.429 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 758403313 MUQVWSAFEHYYCX-FUHWJXTLSA-N 429.521 4.041 5 20 IIBD Cc1cc(C)n(-c2ccc(C(=O)O[C@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)cc2F)n1 759947422 KAVUHFMQKSLNHP-OALUTQOASA-N 427.436 4.074 5 20 IIBD CC[C@@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1OCC(=O)N1CCCC1 761523065 QLTZLTYZOAUXMU-LJQANCHMSA-N 431.920 4.490 5 20 IIBD C[C@@H](OC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C(=O)Nc1ccc(Br)cc1 762906541 UZTGLHICAPMAAE-SNVBAGLBSA-N 432.230 4.023 5 20 IIBD Cc1ccc(-c2nnc([C@H](C)OC(=O)c3cc([N+](=O)[O-])c4nsnc4c3)o2)cc1C 762969709 ZDCAHIVUYUZLOE-NSHDSACASA-N 425.426 4.184 5 20 IIBD O=C(c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O)N1CCc2ccc([N+](=O)[O-])cc21 763000255 CXUPWIHEPHCUAN-UHFFFAOYSA-N 427.819 4.240 5 20 IIBD CN(CCC(=O)Nc1ccccc1Br)Cc1cc([N+](=O)[O-])ccc1Cl 764295721 VBDZBRXKEJAJBJ-UHFFFAOYSA-N 426.698 4.471 5 20 IIBD C[C@@H](OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)cc1Cl 764623596 ANTWYNVXGPUYEF-QMTHXVAHSA-N 426.853 4.358 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN(C)CCOc2ccc(F)cc2)c1=S 764866640 XUZRNJYATJPEFV-UHFFFAOYSA-N 431.493 4.117 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1noc(-c2ccc(Cl)cc2)n1 765141644 FHGOBEIYEDSICF-ZDUSSCGKSA-N 441.875 4.389 5 20 IIBD C[C@H](C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Br)cc1 766999880 YSVVBBQUDPIQEV-NSHDSACASA-N 432.230 4.254 5 20 IIBD CC(C)Oc1ccc(Br)cc1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 771454913 ZNRLWPPBGIUEID-UHFFFAOYSA-N 427.226 4.301 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccc([N+](=O)[O-])cc1Br)C1CC1 772296213 OISOPOBOBCZLDW-HNNXBMFYSA-N 443.294 4.094 5 20 IIBD COc1cc([C@H](C)NCc2cc([N+](=O)[O-])ccc2Cl)ccc1S(=O)(=O)C(F)F 773040087 JCTFTBIXZZKWPX-JTQLQIEISA-N 434.848 4.104 5 20 IIBD CC(=O)N1CCCCC[C@@H]1C1CCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 774636106 LDZIZOFXJBBNAE-HXUWFJFHSA-N 433.940 4.059 5 20 IIBD O=[N+]([O-])c1ccc(CN2CCc3[nH]c4ccc(Br)cc4c3C2)c([N+](=O)[O-])c1 774837257 BQYNIIKMXIGARX-UHFFFAOYSA-N 431.246 4.305 5 20 IIBD COc1cc(OC)c(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1Br 777610272 JOSDDLQFUKDUDM-UHFFFAOYSA-N 435.234 4.037 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1 777971813 MQFUCRYFAFSOMK-OAHLLOKOSA-N 445.472 4.056 5 20 IIBD O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 778278270 WUFTWZAIABPPAU-INIZCTEOSA-N 443.372 4.096 5 20 IIBD O=C(O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)c1cnc(Cc2ccc(F)cc2)s1 778787827 VOGZPXLGCKRJQL-SFHVURJKSA-N 427.457 4.217 5 20 IIBD CC(C)[C@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(F)cc1 778891215 BNTWXKNJLBAFIV-SFHVURJKSA-N 440.374 4.006 5 20 IIBD CN(Cc1ncc(Cl)n1C)[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 778989597 ZERXGVZCIGTJAW-LJQANCHMSA-N 448.310 4.447 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)CSc2ccncc2)c2ccccc2)c([N+](=O)[O-])c1 779106177 HNDWMSNOEDFMAT-OAQYLSRUSA-N 437.477 4.314 5 20 IIBD COc1cc(COC(=O)c2cnn(C)c2-c2ccccc2)c([N+](=O)[O-])cc1OCC(F)F 780088165 OABQMEHNCCHJNP-UHFFFAOYSA-N 447.394 4.005 5 20 IIBD C[C@@](O)(CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1cccc(Cl)c1 781029111 LUVSRDDFCRTTRA-HSZRJFAPSA-N 442.849 4.250 5 20 IIBD O=C(COC(=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1)Nc1ccccc1[N+](=O)[O-] 781422123 STGYGXVCFFLFDC-UHFFFAOYSA-N 442.777 4.481 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1[N+](=O)[O-] 782876358 BKPJIWWXZZITFD-QGZVFWFLSA-N 439.346 4.044 5 20 IIBD COc1cc([C@H](C)NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCC(C)C 783296495 JEWGTMDZJVCXSY-ZDUSSCGKSA-N 449.891 4.108 5 20 IIBD CCc1sc(-c2nnc(COC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)o2)cc1C 783321243 DRPSFEHROUKYQV-UHFFFAOYSA-N 446.441 4.459 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)ccc1-n1nnnc1C(C)C 784349172 OQVTYDIXGZOXGZ-UHFFFAOYSA-N 449.515 4.245 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@H]21 784506552 SCVVBDORSDPWSV-NSISKUIASA-N 442.516 4.375 5 20 IIBD CC[C@]1(C)Oc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Br)cc2O1 785488693 PLLZNVICQXHOJN-MRXNPFEDSA-N 443.275 4.056 5 20 IIBD COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1cccc([N+](=O)[O-])c1Br 786364434 FAQOGZHOMHMWRY-OAHLLOKOSA-N 427.682 4.470 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1c1ncc(-c2ccccc2)[nH]1 790332827 AKTIPIACIFCWIJ-SFHVURJKSA-N 444.488 4.348 5 20 IIBD C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] 791030333 SSJJIQDLIOBHOU-GFCCVEGCSA-N 448.273 4.147 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(=O)c1cc3cccc([N+](=O)[O-])c3[nH]1)CC2 791031517 MNGSLWHUKGDFQJ-UHFFFAOYSA-N 442.516 4.329 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CC[C@@]4(C)[C@H](C3)C4(Cl)Cl)cc2)c(C)c1[N+](=O)[O-] 791201999 RRIPKWQYQVYCAF-LPHOPBHVSA-N 437.327 4.112 5 20 IIBD Cc1cc(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c(C(F)(F)F)o1 791245490 QTQAESWTKKSUON-UHFFFAOYSA-N 433.180 4.476 5 20 IIBD Cc1ccc(O[C@H](C)C(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1 791751315 RCPTYMISLLHADG-LLVKDONJSA-N 439.218 4.085 5 20 IIBD COCCC[C@H](Cc1ccccc1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 792549378 BTGXBTPIAMGUCA-OAHLLOKOSA-N 439.281 4.264 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1ccnc(F)c1F 795669067 QMHISJFMNBXLPT-QGZVFWFLSA-N 447.781 4.458 5 20 IIBD COc1cccc(-c2nc(COC(=O)c3cccc([N+](=O)[O-])c3OC)cs2)c1OC 796306551 SXUZFKXDFRUWHY-UHFFFAOYSA-N 430.438 4.101 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(OCc2ccc(C)cc2)c1 799262302 RKCAHCMIPVRRJZ-UHFFFAOYSA-N 449.463 4.458 5 20 IIBD CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H](c2ccncc2)C1 800332605 YLJTVYGQOWRJSV-SFHVURJKSA-N 446.891 4.077 5 20 IIBD O=C(COC(=O)c1csc2c1CCCC2)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 800741667 UMQDUAHEJCTEME-UHFFFAOYSA-N 428.388 4.349 5 20 IIBD CS(=O)(=O)c1cc(COC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc(C(F)(F)F)c1 800980751 IWUFVZJEQXRKFQ-UHFFFAOYSA-N 437.779 4.028 5 20 IIBD CCc1cc(O)ccc1NC(=O)c1cc([N+](=O)[O-])cc(I)c1C 801228036 SDRRNOKTKVYBCG-UHFFFAOYSA-N 426.210 4.028 5 20 IIBD C[C@H](OC(=O)c1c(N)cc(Cl)cc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 811321472 KDCOIESBXTUWSE-ZETCQYMHSA-N 432.647 4.321 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CCC2(CCN(Cc3ccccc3)CC2)C1 814260825 ACUWTNIJLYJFLP-UHFFFAOYSA-N 436.512 4.044 5 20 IIBD Cc1cc(C)c(NC(=O)CCCOC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)c(C)c1 814482639 GDXKLQKQFXZOPA-UHFFFAOYSA-N 431.464 4.301 5 20 IIBD CO[C@@H]1CCC[C@H](C(=O)O[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 814559150 VTVTVPHGIVFOCS-WAOWUJCRSA-N 426.469 4.331 5 20 IIBD O=C(NC[C@H](O)c1ccc(Cl)cc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 817090610 CXVHEUWKACWYOI-NRFANRHFSA-N 425.872 4.324 5 20 IIBD COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NCc1ccc(C)c([N+](=O)[O-])c1 864035753 FFBCBXCOPNSOIK-UHFFFAOYSA-N 433.530 4.089 5 20 IIBD CSc1ccc(C(=O)Nc2nc(C)c(-c3nnc(S)n3C3CC3)s2)cc1[N+](=O)[O-] 882245664 LCZDJKARSYNZLU-UHFFFAOYSA-N 448.555 4.216 5 20 IIBD COc1ccc([C@@H]2CCCN2c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])cc1 912727793 GZQOPCXBNKSFFL-HNNXBMFYSA-N 430.404 4.238 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)OCCCOc2ccc(Cl)cc2)cc1[N+](=O)[O-] 913223800 VEAXORHTJWMQIT-UHFFFAOYSA-N 448.888 4.154 5 20 IIBD O=C(OCc1nc2ccccc2c2ccccc12)c1ccc(S(=O)(=O)N2CCCC2)o1 914992170 FTCLTOQCCUSHBY-UHFFFAOYSA-N 436.489 4.123 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2[nH]c3ccccc3c2Br)cccc1[N+](=O)[O-] 915511428 PPCOXFRIYQFNTK-NSHDSACASA-N 446.257 4.331 5 20 IIBD COc1ccc([N+](=O)[O-])cc1OC(=O)CSc1nncn1-c1ccc(C(C)C)cc1 916876489 HZFXTLXTDOXTCX-UHFFFAOYSA-N 428.470 4.005 5 20 IIBD CCN([C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 917915422 WAGDMWBIWJKWJL-NSHDSACASA-N 431.283 4.268 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1cc(Cl)ccc1OCC(F)(F)F 918400014 XSPBWIAWVWGFMC-UHFFFAOYSA-N 428.747 4.129 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Oc1ccc(C(=O)Nc2cccnc2)cc1 921008900 UMMITFZTVHZDRI-CYBMUJFWSA-N 441.827 4.268 5 20 IIBD COc1cc(CSCc2csc(-c3cnn(C)c3)n2)c([N+](=O)[O-])cc1OC(F)F 1116003827 SXUZPWCCRNMSQB-UHFFFAOYSA-N 442.469 4.495 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(CCC[S@@](=O)c3ccc(Br)cc3)o2)c1 1261425599 FAYAWTKZTCTHGE-AREMUKBSSA-N 436.287 4.148 5 20 IIBD COC(=O)C[C@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 1262806844 QQLHPYPYIXWNNV-AWEZNQCLSA-N 430.766 4.301 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1I)c1ccc(F)c(F)c1 1318163218 LWCMYKCQKMORHI-QMMMGPOBSA-N 433.148 4.396 5 20 IIBD COc1ccc([C@H]2[C@H](c3nc(-c4cc(C)c([N+](=O)[O-])cc4C)no3)CCC(=O)N2C)cc1 1320498370 UJAVZZSMKSISRX-UTKZUKDTSA-N 436.468 4.347 5 20 IIBD CCCCOc1ccc(-c2nnc(-c3cc4c(cc3[N+](=O)[O-])OCCO4)o2)cc1OC 1324029982 UIENZXPUPPWNDC-UHFFFAOYSA-N 427.413 4.271 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(NCCSc2ncc(C(F)(F)F)cc2Cl)n1 1336391364 IQKYIFSZTDRBFG-UHFFFAOYSA-N 436.799 4.048 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1)c1cc(Cl)ccn1 1789719067 PPDDULPBKWKDFO-UHFFFAOYSA-N 440.843 4.298 5 20 IIBD C/C=C(\C)C(=O)NC1(c2ccc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCC4)cc2)CCC1 1790045605 YMLDURVWWRCGMG-CRKCGEKBSA-N 435.480 4.244 5 20 IIBD O=C(Cc1ccccc1)NC1(c2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc2)CCC1 1790755272 WSVRSVRGLNSZIF-UHFFFAOYSA-N 445.475 4.291 5 20 IIBD Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cc(C)c([N+](=O)[O-])cn4)CCC3)cc2)o1 1791946163 YWLOLDSYQDXCOG-UHFFFAOYSA-N 448.479 4.190 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1cccc([N+](=O)[O-])c1)c1sccc1Cl 1793940299 ZSJJJBHJIANWBR-MUJYYYPQSA-N 447.944 4.194 5 20 IIBD Cc1cc(Cl)ccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(F)c1[N+](=O)[O-] 1800526564 GGRVFRIPBJBSRA-MUJYYYPQSA-N 445.878 4.261 5 20 IIBD CCCCC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc([N+](=O)[O-])c(O)cc1C)C2 1801715640 GNUFQKSMOMZLRN-NRSFXHEJSA-N 431.533 4.077 5 20 IIBD Cc1ccc(C(=O)N2CCCC3(CCN(C(=O)c4cccc(F)c4[N+](=O)[O-])CC3)C2)s1 1808096318 BJUPVHFYDBJNRL-UHFFFAOYSA-N 445.516 4.262 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1C1CCN(C(=O)C2(F)CCC2)CC1 1824843671 RUEZFQJZAOALBB-NRFANRHFSA-N 445.535 4.039 5 20 IIBD CC(C)/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830615825 PEKYCHFPDAVYCC-BXKJMJEDSA-N 431.508 4.179 5 20 IIBD CCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1831384595 PQXBJOATUKXVLH-RQMBKDMJSA-N 431.533 4.257 5 20 IIBD O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 11239967 AMPVJYYNBJICML-UHFFFAOYSA-N 440.887 4.185 5 20 IIBD CCC[C@H](C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1 14826598 JXWPYBOBUQPNEC-KRWDZBQOSA-N 445.522 4.407 5 20 IIBD O=C(Nc1cccc2ncccc12)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 15980074 QRPUXALOEYTPQK-UHFFFAOYSA-N 448.460 4.196 5 20 IIBD Cn1c(Cl)cnc1COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 16210357 MMJRRHGULYYXTE-UHFFFAOYSA-N 434.235 4.223 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)O[C@@H](C)C(=O)Nc2c(F)cccc2F)CC1 16925240 LJDGYUABYIGURB-AWEZNQCLSA-N 447.438 4.293 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCc3ccc4c(c3)OCCO4)cc2[N+](=O)[O-])n1 17858822 VPZUYAPPGPMBSX-UHFFFAOYSA-N 443.506 4.212 5 20 IIBD CCn1c(SCC(=O)Nc2cccc3nsnc23)nc2cc3ccccc3cc2c1=O 19105037 PRMAODFOWWJEIG-UHFFFAOYSA-N 447.545 4.305 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)CCc2ncc(-c3ccccc3F)o2)cccc1[N+](=O)[O-] 28773517 PSSOANJVJKBPTQ-CQSZACIVSA-N 441.415 4.200 5 20 IIBD CCOC(=O)c1cc(C(=O)N[C@@H](C)c2ccc(OC(C)C)c(OC)c2)cc([N+](=O)[O-])c1 31515834 BLOXBRSKZOXQAX-AWEZNQCLSA-N 430.457 4.058 5 20 IIBD O=C(CSc1nc(-c2ccco2)nc2ccccc12)N1CCc2cc([N+](=O)[O-])ccc21 58481636 KSTYAYCVIKXQLY-UHFFFAOYSA-N 432.461 4.479 5 20 IIBD CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 64897415 IEZKFLRDBRIBAO-UHFFFAOYSA-N 427.482 4.398 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NCc1ccccc1-n1cccn1 65201170 BWGCOIHTZGREKY-UHFFFAOYSA-N 449.492 4.193 5 20 IIBD C[C@@H](C(=O)O)[C@@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 237680444 QEJWSMSWQVUAEL-OPAMFIHVSA-N 433.464 4.399 5 20 IIBD O=[N+]([O-])c1ccccc1-c1ccc(CNCCCS(=O)(=O)Cc2ccccc2)s1 237954561 LJHOHKOEGUNUNJ-UHFFFAOYSA-N 430.551 4.418 5 20 IIBD CC(C)n1c(Sc2ccc(Br)cc2[N+](=O)[O-])nnc1[C@H]1CCCNC1 301253226 ANHZVAXWGUEDFR-NSHDSACASA-N 426.340 4.148 5 20 IIBD COc1ccc([C@H](Nc2ncc([N+](=O)[O-])cc2Cl)c2cccc(S(C)(=O)=O)c2)cc1 301459383 IOPMIBYKXIDXDQ-IBGZPJMESA-N 447.900 4.257 5 20 IIBD O=[N+]([O-])c1cncc(Br)c1N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 301876991 IXMGPSKEDQGMFK-LBPRGKRZSA-N 448.252 4.325 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])N1CCC(F)(c2ccccc2C(F)(F)F)CC1 410101804 VDTPMXSEFNAUEW-UHFFFAOYSA-N 426.366 4.480 5 20 IIBD Cn1cnc([N+](=O)[O-])c1-c1noc(C(C)(C)c2csc(-c3c(F)cccc3F)n2)n1 426405286 LKXWVVXONDHESU-UHFFFAOYSA-N 432.412 4.106 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@@H](COC)c2ccco2)c([N+](=O)[O-])c1 426907406 QOICZGFLZBFGNH-IBGZPJMESA-N 445.497 4.203 5 20 IIBD COc1cc(C(=O)N(C)c2nnc(C)s2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 427721646 YQJVTRYVMMGJOQ-UHFFFAOYSA-N 434.861 4.486 5 20 IIBD CC(C)CC(=O)Nc1cccc(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 431450817 GFGLCBZPFJJVBF-UHFFFAOYSA-N 434.290 4.272 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)c(F)c1 433579591 YYWNTYAPZOVSPZ-CQSZACIVSA-N 448.756 4.440 5 20 IIBD CCN1CCc2nc(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)sc2C1 435938371 KWBZWZWJAORSTN-UHFFFAOYSA-N 440.475 4.046 5 20 IIBD CCCOc1ccc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1Cl 437063217 ZHPUPXFGRSJXHC-UHFFFAOYSA-N 431.876 4.167 5 20 IIBD O=C(NCc1cccc(NC(=O)c2ccccn2)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437145136 LDKUTMXVLMGMBD-UHFFFAOYSA-N 444.369 4.191 5 20 IIBD O=C(C1CC1)N1CCCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 438279815 LEIUAQNSHOQZCS-UHFFFAOYSA-N 429.904 4.485 5 20 IIBD COc1ccc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])c(OCc2ccccc2)c1 439032956 ILPRALKZTBRMAT-UHFFFAOYSA-N 438.436 4.452 5 20 IIBD CN(C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1Cl 439122126 FTSXRFVDXXESMQ-UHFFFAOYSA-N 447.822 4.121 5 20 IIBD O=C(NC1(c2noc([C@H]3CCOC3)n2)CCCCCC1)c1cc2cc([N+](=O)[O-])ccc2o1 439931669 VWAQKLXVUWGBLF-AWEZNQCLSA-N 440.456 4.207 5 20 IIBD CN(C)C(=O)C1(CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CCCC1 440453366 DNMDREAJBQNWHX-UHFFFAOYSA-N 427.526 4.124 5 20 IIBD COCc1nc(CNC(=O)NCc2cccc([N+](=O)[O-])c2C)c(-c2ccccc2)s1 441031694 PQVNTRKZVNSEQM-UHFFFAOYSA-N 426.498 4.173 5 20 IIBD O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2nnc3n2CCC3)C1 442732671 XDDKTPWDZAEDEM-INIZCTEOSA-N 449.536 4.304 5 20 IIBD CCO[C@H]1C[C@@H](N(C)C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C12CCC2 444240454 RFNPWWRPSODUAP-UXHICEINSA-N 426.463 4.379 5 20 IIBD CCOc1cccc(/C=C\c2nc(-c3c([N+](=O)[O-])ncn3C)no2)c1OC1CCCC1 445571639 AMJFPTFYDZOJOU-QXMHVHEDSA-N 425.445 4.269 5 20 IIBD Cc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1C(=O)N1CCCC1 445812570 WTBGWHZTSRJWRO-UHFFFAOYSA-N 446.301 4.083 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1nnc(-c2ccsc2)s1 446020513 NZPBFWOIJDFJQE-UHFFFAOYSA-N 425.289 4.119 5 20 IIBD O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)N1CCc2ccc([N+](=O)[O-])cc2C1 446954566 QASIUKNXHYVDLU-UHFFFAOYSA-N 431.374 4.390 5 20 IIBD COc1cc(C(=O)N(c2nc(C)cs2)C2CC2)c([N+](=O)[O-])cc1OCc1cscn1 460371029 SXHYXHXFWUJSLK-UHFFFAOYSA-N 446.510 4.213 5 20 IIBD C[C@@]1(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)OCCc2sccc21 460976990 FDYSLMFAHGKEEG-QHCPKHFHSA-N 437.521 4.486 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)CCNC(=O)Nc1ccc(Br)cc1 464719739 LTBYBEQEYNMBGG-UHFFFAOYSA-N 435.278 4.070 5 20 IIBD Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] 467994661 PIOPMHNAABUXLT-SFHVURJKSA-N 447.491 4.341 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC[C@@H]3[C@H]3CCCCC3=O)cc2[N+](=O)[O-])C1 471913358 VFGVFYRGIUOGLT-PIKOESSRSA-N 427.545 4.441 5 20 IIBD CN(C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccc(-c2ccccc2)nn1 472023907 AWROBQICMMSIKD-UHFFFAOYSA-N 432.358 4.270 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)Nc1cnn(-c2ccc(Cl)cc2Cl)c1 475420486 GNLDDDNMUILFIF-UHFFFAOYSA-N 448.266 4.281 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 478060857 OKLSWMJEULWLEQ-AWEZNQCLSA-N 425.510 4.403 5 20 IIBD Cc1c(CNC(=O)C2(c3ccc(Br)cc3)CCOCC2)cccc1[N+](=O)[O-] 481492760 OQIIWAREYKWAHV-UHFFFAOYSA-N 433.302 4.030 5 20 IIBD COc1ccc(CNC(=O)NCc2nc(-c3cc4ccccc4o3)cs2)cc1[N+](=O)[O-] 482887661 IRZMCJUBPMFOLV-UHFFFAOYSA-N 438.465 4.473 5 20 IIBD CCOC(=O)c1csc([C@H]2CCCN2C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 482950536 PHIQQNFZHUNFGZ-MLGOLLRUSA-N 435.527 4.072 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Oc2c(OC)cccc2OC)CC1 483177955 KINSBCRAPXDOCM-UHFFFAOYSA-N 446.525 4.408 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1cc(Cl)cc(Br)c1O 484606325 ZSZWOQAEZSWZRO-UHFFFAOYSA-N 442.074 4.171 5 20 IIBD O=C(c1c([N+](=O)[O-])cccc1C(F)(F)F)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 484952068 UXISBMHDNITUEX-SJORKVTESA-N 433.430 4.208 5 20 IIBD CCc1cc(N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 485416429 ASLHYCFFECDJFA-GOSISDBHSA-N 431.496 4.104 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CCC(c2c(F)cccc2F)CC1 485581466 JMXRDFBYMXSWQZ-UHFFFAOYSA-N 427.407 4.206 5 20 IIBD C[C@H](CCNC(=O)c1sc(Br)cc1[N+](=O)[O-])N(C)Cc1ccccc1 486202763 HUCYCJTUZRZJPZ-GFCCVEGCSA-N 426.336 4.059 5 20 IIBD Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 488338816 WLQCVGUKKUXSGY-UHFFFAOYSA-N 448.483 4.221 5 20 IIBD COC[C@@H](C)n1ccc(N[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)n1 488339439 WYLLIAKZRLLZPF-VLIAUNLRSA-N 443.891 4.444 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)nnc1-c1ccc(F)cc1 489635827 QRGNFDLQQNWWGC-LBPRGKRZSA-N 445.476 4.140 5 20 IIBD O=C(Nc1ccc(F)cc1)c1nnc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)s1 490140180 SBLQUXJGHAXEHT-UHFFFAOYSA-N 427.461 4.002 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(Br)ccc1-n1cncn1 497775997 MMTUMDJYNYLQEN-LLVKDONJSA-N 448.302 4.057 5 20 IIBD COC(=O)COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c2ccccc12 499531224 MVYGKDKTSVEBTO-UHFFFAOYSA-N 431.404 4.100 5 20 IIBD O=[N+]([O-])c1cc2c(c(C[S@](=O)Cc3coc(-c4ccc(Cl)cc4)n3)c1)OCOC2 501475866 KDAUJUXKBYLCNC-LJAQVGFWSA-N 434.857 4.219 5 20 IIBD CC[C@@H](CSc1ccc(C)c(C)c1)NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 502267670 JGVRHRSAIJVDOK-HNNXBMFYSA-N 449.960 4.282 5 20 IIBD COc1cc([C@H](C)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)ccc1OCc1ccncc1 502710019 BMBNHBQRYPMOSY-HNNXBMFYSA-N 437.452 4.077 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](c1c(F)cccc1F)C(F)(F)F 506269335 LRPBLPPXUSUYIF-KRWDZBQOSA-N 433.333 4.103 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CN1CCC(C(=O)Nc2cccc(Br)c2)CC1 507293450 RJUMYQZVZLAROM-UHFFFAOYSA-N 448.317 4.217 5 20 IIBD O=C(Nc1cc(Cl)ccc1C(=O)N1CCCCC1)c1n[nH]c2ccc([N+](=O)[O-])cc12 508005291 JRJBOQCTVVXMIP-UHFFFAOYSA-N 427.848 4.003 5 20 IIBD O=C(COc1c([N+](=O)[O-])cnc2ccc(Br)cc12)NCCC1=CCCCC1 508166004 TZIMWLAJABKCKK-UHFFFAOYSA-N 434.290 4.291 5 20 IIBD Cc1ccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1C(F)(F)F 508789522 CZAJCJBKSMIIBN-UHFFFAOYSA-N 437.403 4.454 5 20 IIBD O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 510607095 NOPJIHHBWSKQOT-CYBMUJFWSA-N 435.358 4.248 5 20 IIBD COc1ccc(CNC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc1OC 512520169 LRLOJAXAMHNATF-HOTGVXAUSA-N 427.501 4.024 5 20 IIBD COc1ccc(CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](C)C2CC2)c(OC)c1 512564959 NDMMUIMGJCGSIV-HNNXBMFYSA-N 437.496 4.463 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)Nc1ccccc1N1CCCC1)c1ccccc1[N+](=O)[O-] 515109913 MPUKTJJJWWCOOM-LJQANCHMSA-N 440.500 4.400 5 20 IIBD CCOc1ccc(-c2nc(CS(=O)(=O)Cc3cc([N+](=O)[O-])ccc3OC)cs2)cc1 517190581 UEIKUGQZNQCYAG-UHFFFAOYSA-N 448.522 4.241 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NCCCCNc1ccccn1 517647264 BAXBVNZKNGOGOO-UHFFFAOYSA-N 441.513 4.095 5 20 IIBD COCCN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CC1 521250983 YSGLBPOWWGYBOB-UHFFFAOYSA-N 449.960 4.240 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)Nc1ncc(Cc2ccc(F)c(F)c2)s1 521880043 BJLCNDJTIKAWFI-UHFFFAOYSA-N 434.424 4.121 5 20 IIBD Cn1cc(C(=O)Nc2ccc(OCC3CCOCC3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 522953202 VMMAAWVSZGOCTJ-UHFFFAOYSA-N 436.468 4.053 5 20 IIBD Cc1nn(CCC(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2Cl)c(C)c1[N+](=O)[O-] 523222970 DJSPNYAVSKQWMJ-UHFFFAOYSA-N 441.875 4.343 5 20 IIBD CCOc1cc(NC(=O)N[C@@H]2CCCN(c3ccccc3)C2)c([N+](=O)[O-])cc1OCC 523785659 UVOFHMVFHXUPHZ-MRXNPFEDSA-N 428.489 4.183 5 20 IIBD CNc1ccc(C(=O)Nc2ccc(C(=O)Nc3cccnc3)c(Cl)c2)cc1[N+](=O)[O-] 524166696 WUNSRJHFEOFMNQ-UHFFFAOYSA-N 425.832 4.190 5 20 IIBD O=C(Nc1cccc(F)c1)c1cccc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c1 524295727 NMPVOBTZKCTRJW-UHFFFAOYSA-N 437.383 4.010 5 20 IIBD CCCc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)nnn1Cc1cccc(Br)c1 525003459 WGEFWCQYXOXOBA-UHFFFAOYSA-N 444.289 4.202 5 20 IIBD Cc1ccc(Sc2ccc(CNC3CCC(S(C)(=O)=O)CC3)cc2[N+](=O)[O-])cc1 525183658 OQSCULDCINVVDU-UHFFFAOYSA-N 434.583 4.500 5 20 IIBD O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 530999742 DNUHWHVDWIPREL-UHFFFAOYSA-N 445.401 4.412 5 20 IIBD COc1ccc(CNC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)cc1[N+](=O)[O-] 531230780 AKLCPGJQOBWVBE-MRXNPFEDSA-N 434.290 4.413 5 20 IIBD COC(=O)c1csc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 532112718 IJZFAMUJGVBDKQ-GFCCVEGCSA-N 426.454 4.263 5 20 IIBD Cc1nc(C)c([C@H](C)N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)s1 532552470 QCCLELXFHSKLKX-JTQLQIEISA-N 427.324 4.062 5 20 IIBD COc1ccc(CC(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)cc1[N+](=O)[O-] 535058161 DCBYXJAALFOHOV-LJQANCHMSA-N 425.872 4.295 5 20 IIBD COC(=O)[C@H]1CC12CCN(Cc1cn(-c3ccccc3)nc1-c1ccc([N+](=O)[O-])cc1)CC2 536671081 WOJJIBMJBBVSST-JOCHJYFZSA-N 446.507 4.223 5 20 IIBD COC1CCN(C2(CNCc3csc(-c4cccc([N+](=O)[O-])c4)n3)CCCC2)CC1 537313381 CRSOHGFYDCEAJW-UHFFFAOYSA-N 430.574 4.232 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN2CCN(Cc3ncc[nH]3)CC2)cc1 537625123 LMURIJNNOBHNIN-UHFFFAOYSA-N 427.892 4.081 5 20 IIBD CC[C@H](CSc1ccccc1[N+](=O)[O-])Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1 538550839 GZZXDCKLSDUHRB-HZPDHXFCSA-N 440.529 4.369 5 20 IIBD O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 538656324 BGABTMSUKFVKPO-UHFFFAOYSA-N 426.392 4.039 5 20 IIBD Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])c(C)c1 539222499 SCWWJUFIUAIEKW-UHFFFAOYSA-N 432.480 4.293 5 20 IIBD C[C@@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 539492685 HDDCRQCBTPBYRQ-ODXCJYRJSA-N 431.876 4.087 5 20 IIBD Cc1cc(Br)c2oc(C(=O)N3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc2c1 541096556 YVAJOZHCQZYZKR-ZDUSSCGKSA-N 445.273 4.134 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3ccc(N4CCOCC4)c(F)c3)no2)c(Br)c1 545741467 FGUWRARXLHEZAQ-UHFFFAOYSA-N 449.236 4.050 5 20 IIBD COc1cc(OC)c2cc(CCCN[C@@H](c3ccc([N+](=O)[O-])cc3)c3nccn3C)[nH]c2c1 552044278 XYVOKNCNEKQHEE-QHCPKHFHSA-N 449.511 4.139 5 20 IIBD O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 552608345 KCHPLXHCSWJHRW-AWEZNQCLSA-N 436.386 4.405 5 20 IIBD Cc1c(CC(=O)Nc2cccc(NS(=O)(=O)Cc3ccccc3)c2)cccc1[N+](=O)[O-] 553990510 WLBVSCNVFTVJHM-UHFFFAOYSA-N 439.493 4.026 5 20 IIBD CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN([C@@H](C)c2nc(-c3ccc(C)cc3)no2)CC1 554672564 WODNLZBUSRHREE-INIZCTEOSA-N 435.484 4.039 5 20 IIBD CN1CC[C@H](NCCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]1c1ccc(F)c(F)c1 564613791 AERLSOBJQXJKFP-UGKGYDQZSA-N 428.439 4.106 5 20 IIBD C[C@H](C(=O)N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cccc([N+](=O)[O-])c1 568466741 REFTWYZZOWXJNS-IFXJQAMLSA-N 449.429 4.025 5 20 IIBD CC(C)CNC(=O)c1ccc(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1Cl 568665473 IPAMJNNRCAWBPH-UHFFFAOYSA-N 432.908 4.340 5 20 IIBD CCn1c(C)nc([N+](=O)[O-])c1Sc1nnc(-c2ccccc2F)n1Cc1ccco1 574188285 DVVGEZYLXIQYKL-UHFFFAOYSA-N 428.449 4.310 5 20 IIBD COc1cc(Cc2noc(Cc3ccc(OCC(C)C)cc3)n2)c([N+](=O)[O-])c(OC)c1 576068318 WPPOCXMDRFGWPC-UHFFFAOYSA-N 427.457 4.211 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccccc2O[C@@H](C)C(F)(F)F)cc([N+](=O)[O-])c1 576071693 COQZEYTXLXNHGH-NSHDSACASA-N 426.347 4.353 5 20 IIBD CCCOc1cc(NC(=O)N2CCC[C@H]2c2nc(C)no2)c([N+](=O)[O-])cc1OCCC 577903995 ZCWZYUUGSNWPRZ-HNNXBMFYSA-N 433.465 4.233 5 20 IIBD C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1nccn1-c1ccccc1 581328164 LIMAYAZHMZFQSW-CYBMUJFWSA-N 433.390 4.360 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NC[C@H](C)CN3CCCC3)c([N+](=O)[O-])c2)c(C)c1 603869710 AWMINLQLSOSKMP-KRWDZBQOSA-N 446.573 4.156 5 20 IIBD O=C(CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)NC1CCCC1 604503175 MWWGOPULNPMLQJ-UHFFFAOYSA-N 433.917 4.188 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 604570441 UTSYXJPNJSPUHB-UHFFFAOYSA-N 449.442 4.279 5 20 IIBD O=C(Nc1nnc(-c2cccc(Cl)c2)s1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 609022109 WWMWWMKNTNRXAA-UHFFFAOYSA-N 426.845 4.205 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cc1SC 609128886 UVPVDNITPWADPT-CYBMUJFWSA-N 427.482 4.486 5 20 IIBD COC(=O)c1cc(C(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)cc([N+](=O)[O-])c1 609529477 MMOJACIHWJBSGQ-UHFFFAOYSA-N 425.416 4.022 5 20 IIBD Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1 609724649 FARMWUHBPGGXQB-UHFFFAOYSA-N 434.239 4.140 5 20 IIBD COC(=O)c1ccc2nc(SCc3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])oc2c1 609752167 NZONOQRXTAXXCM-UHFFFAOYSA-N 440.380 4.425 5 20 IIBD O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 609755280 GIGCOFZDQZNFKX-UHFFFAOYSA-N 446.431 4.028 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1cccs1 618633285 KYZSWHLWXMKRGT-GOSISDBHSA-N 440.477 4.270 5 20 IIBD O=C(Oc1ccccc1)N1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 725757054 BZKWIAALUWZOBB-UHFFFAOYSA-N 425.466 4.156 5 20 IIBD CCc1cc[n+](/C(C(=S)NCC(F)(F)F)=C(/O)c2ccc(C)c([N+](=O)[O-])c2)cc1 725760516 QBJYBEFNRHFTCR-UHFFFAOYSA-O 426.440 4.116 5 20 IIBD Cc1cc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 725793343 XOSGHJRHWYZAGL-SFHVURJKSA-N 427.505 4.196 5 20 IIBD COc1cc(OCC(=O)Oc2ccc(NC(=O)c3ccc(C)cc3)cc2)ccc1[N+](=O)[O-] 726961798 PICMZPVBPKRMKP-UHFFFAOYSA-N 436.420 4.149 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCC(NC(=O)Oc3ccccc3)CC2)cc1[N+](=O)[O-] 727337026 JXYDPLBRSJLUHB-UHFFFAOYSA-N 425.485 4.286 5 20 IIBD COc1cccc(N2CC[C@@H](Nc3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])C2)c1 728201443 OKHVNVZMLSTIQS-GFCCVEGCSA-N 426.351 4.221 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1-n1cccc1 729664804 DJUHIVCABNFYGL-UHFFFAOYSA-N 429.351 4.344 5 20 IIBD COc1ccc([C@H](OC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[C@H](C)n2cccn2)cc1 729805003 UYTYLSRZKNPJBY-KSFYIVLOSA-N 447.451 4.145 5 20 IIBD O=C(NCCOc1ccccc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1Br 730184461 YUVYNCLOQGOSQM-UHFFFAOYSA-N 433.180 4.185 5 20 IIBD C[C@H](Oc1cccc(Cl)c1Cl)C(=O)O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 731511654 NUUXKVGUXBWILP-ZBEGNZNMSA-N 439.251 4.018 5 20 IIBD CCN(C(=O)[C@@H](C)OC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1cccc2ccccc12 731712761 RTTYMFOSDQNELZ-MRXNPFEDSA-N 446.463 4.083 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)c2nc3ccc(Cl)cc3[nH]2)cc1OC 732519220 ZEJYUXTXXOSQPR-LLVKDONJSA-N 449.847 4.076 5 20 IIBD COc1ccc(C(=O)Nc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)cc1[N+](=O)[O-] 734109940 JEFOPNBNPZXJFO-UHFFFAOYSA-N 427.457 4.149 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cc(Br)cnc1OCC(F)(F)F 734114825 AQRXJGQIXNUAPY-ZZXKWVIFSA-N 446.179 4.345 5 20 IIBD Cc1c(COC(=O)c2nn(-c3ccc(F)cc3)cc2Br)cccc1[N+](=O)[O-] 735545911 WDAOOWCERVPHKQ-UHFFFAOYSA-N 434.221 4.348 5 20 IIBD CNc1ccc(C(=O)OCc2ncc(-c3ccc(Br)cc3)o2)cc1[N+](=O)[O-] 741829916 XTTIJSAHILPLOI-UHFFFAOYSA-N 432.230 4.411 5 20 IIBD CC(C)c1nc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)nn1-c1ccccc1F 741896715 VFEPEJYLWZCUCB-UHFFFAOYSA-N 431.855 4.364 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c1 744722712 POMJPDZKQPYLNK-CYBMUJFWSA-N 440.374 4.261 5 20 IIBD CN(C(=O)COC(=O)Cc1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)c1ccc(F)cc1 745333520 NVJKDKHZWHWIKA-XMMPIXPASA-N 436.439 4.068 5 20 IIBD CCOc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 745565110 IUZZNBGHIOEPOE-LLVKDONJSA-N 426.347 4.196 5 20 IIBD O=C(CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)NC1CCS(=O)(=O)CC1 746588784 KHPWFAVAADEZHI-UHFFFAOYSA-N 433.529 4.240 5 20 IIBD COc1ccc(Br)cc1C(=O)CCC(=O)OCc1ccc([N+](=O)[O-])cc1F 746901544 QMMQXGCZPBBCKV-UHFFFAOYSA-N 440.221 4.211 5 20 IIBD CC1CCN(C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)C2)CC1 748223548 IDNRGWCKDZUBTC-NRFANRHFSA-N 442.604 4.415 5 20 IIBD COc1cc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)ccc1OC(C)C 748619139 NHOJPVLYYYEHJC-CQSZACIVSA-N 431.445 4.407 5 20 IIBD O=C(Oc1ccc(Cc2ccccc2)cc1[N+](=O)[O-])c1ccc2c(=O)n3c(nc2c1)CCC3 749065979 LLNHCWOAWLTQIF-UHFFFAOYSA-N 441.443 4.061 5 20 IIBD C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 751150140 DQMHFEXBHSSRBU-CYBMUJFWSA-N 438.311 4.099 5 20 IIBD C[C@H](OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ncc(-c2ccc(Cl)cc2)o1 751612695 LVLBTRQYACGYGK-ZDUSSCGKSA-N 443.843 4.328 5 20 IIBD C[C@@H](OC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ncc(-c2ccc(Cl)cc2Cl)o1 753357719 ANPZNOKZHZVDHJ-SNVBAGLBSA-N 438.223 4.023 5 20 IIBD COc1ccc(-c2nnc(COC(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)o2)cc1 753431170 IZNFLTDKFPKYBP-UHFFFAOYSA-N 448.229 4.081 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OC2CCN(CC(F)F)CC2)cc1 755858453 DYZFNMZWCGJCFF-UHFFFAOYSA-N 436.411 4.282 5 20 IIBD O=C(COC(=O)CCC(=O)c1cc(Cl)sc1Cl)Nc1cccc([N+](=O)[O-])c1 756271850 FUABWKHNYJGRBG-UHFFFAOYSA-N 431.253 4.108 5 20 IIBD O=C(COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)Nc1nc(-c2ccc(F)cc2)cs1 756765886 LZJPONLUNAKIQA-UHFFFAOYSA-N 440.412 4.134 5 20 IIBD CC[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C 757363337 ZSJOTISOWUUSFM-IUODEOHRSA-N 445.438 4.379 5 20 IIBD O=[N+]([O-])c1cc(NS(=O)(=O)c2ccccc2OC(F)(F)F)ccc1Br 757920335 BXTRRLMHPGFJKU-UHFFFAOYSA-N 441.181 4.057 5 20 IIBD O=C(COC(=O)c1ccc(F)cc1[N+](=O)[O-])NCc1ccc(-c2ccc(Cl)cc2)o1 758112707 BBEGIOVMNHEUFZ-UHFFFAOYSA-N 432.791 4.121 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 758803177 WHTQZTSKIFAGOA-JYJNAYRXSA-N 437.562 4.227 5 20 IIBD C[C@@H](OC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc(-c2ccccc2)no1 760103672 SQTMPQKMTPSMBI-LLVKDONJSA-N 436.346 4.380 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1noc(Cc2ccccc2)n1 760604842 QNFGUOSYVLEVKJ-INIZCTEOSA-N 435.484 4.050 5 20 IIBD CC(C)(C)OC(=O)N1CCC(Cc2noc(-c3c[nH]c4cc([N+](=O)[O-])ccc34)n2)CC1 761756263 OOOIWIMVKRCOIY-UHFFFAOYSA-N 427.461 4.316 5 20 IIBD O=C(CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)Nc1ccc(F)c(F)c1 763299614 VVBHFTBUUWJZTP-UHFFFAOYSA-N 435.452 4.276 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CCC[C@H](N2CCCCC2=O)C1 764237155 ZXUXFTPTPGDZPN-KRWDZBQOSA-N 431.558 4.247 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C2)C1 765340527 ICNKTDQJPTYVAS-IBGZPJMESA-N 443.422 4.087 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@H]1CCCN1Cc1c(Br)cccc1[N+](=O)[O-] 769450422 CROVQQGIDLDZNI-GOSISDBHSA-N 448.317 4.277 5 20 IIBD CC(C)(C)OC(=O)C1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 770263149 AGOYFMQBMDFEFT-UHFFFAOYSA-N 445.285 4.127 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)Cc2ccc(C)c(O)c2)c2ccccc2)c([N+](=O)[O-])c1 772159724 ZRKWFNGEUFCHKI-QHCPKHFHSA-N 434.448 4.383 5 20 IIBD C[C@H](C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1F 773459469 AOHSKBGCTLKSDV-VIFPVBQESA-N 427.182 4.252 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)CC2 774218605 MCJMDGCSQNQFII-KRWDZBQOSA-N 448.306 4.404 5 20 IIBD CCCn1c(SC[C@@H](O)c2ccc([N+](=O)[O-])cc2)nc2sc3c(c2c1=O)CCC3 776271565 MAAPGJWXZLPORR-OAHLLOKOSA-N 431.539 4.091 5 20 IIBD CC(C)(C)[C@@H](NC(=O)COC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1cccs1 778165324 GSFLAQASRWYBKP-INIZCTEOSA-N 426.441 4.195 5 20 IIBD O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1cc([N+](=O)[O-])ccc1OC(F)F 778886200 BHEKZIABEFSKOB-UHFFFAOYSA-N 425.731 4.257 5 20 IIBD COc1ccc(-c2nnc(COC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)o2)cc1 781259701 PJUUYGCMGASZNR-UHFFFAOYSA-N 427.416 4.097 5 20 IIBD COc1ccc(-c2noc([C@@H](C)OC(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)n2)cc1 782424551 DBALFHVZWPVQSU-CQSZACIVSA-N 438.440 4.172 5 20 IIBD O=[N+]([O-])c1cc(Br)c(F)cc1OCc1nc(Cc2cccc(F)c2)no1 783097929 UKNNUGVVUJTXIW-UHFFFAOYSA-N 426.173 4.188 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccccc2-c2nccs2)cc1Br 784436394 LFHDQWSULWKMKL-UHFFFAOYSA-N 441.284 4.249 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCc1nc(-c2ccccc2F)cs1 784827874 IRMRTEINZSQFHO-UHFFFAOYSA-N 443.428 4.466 5 20 IIBD C[C@@](O)(C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 787605574 NIAKJRJWLZGZJI-INIZCTEOSA-N 436.308 4.156 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)OCC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)c1F 787939138 KLWYGLMSJWJPJZ-HXUWFJFHSA-N 446.431 4.306 5 20 IIBD O=C1[C@H](c2ccccc2)N(Cc2ccccc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 789906757 CLDFYUXLVZPLIS-NRFANRHFSA-N 446.419 4.209 5 20 IIBD CC(C)[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)[C@@H](O)c1ccccc1 790432585 WTTQSUYTAQJJLT-SJORKVTESA-N 441.709 4.499 5 20 IIBD Cc1csc(-c2ccc(OS(=O)(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)cc2)n1 790829240 VHMAAPDZGFAIMX-UHFFFAOYSA-N 449.466 4.319 5 20 IIBD CCCc1[nH]nc(C(=O)O[C@@H](c2ccccc2)c2nc(-c3ccccc3)no2)c1[N+](=O)[O-] 796261837 YYOLEKVOAUNEGP-IBGZPJMESA-N 433.424 4.267 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 799783418 CBTVFKZVROCHQX-MOPGFXCFSA-N 433.549 4.317 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Br)c2cccnc12 800843882 GZNFAHCHSQCKRD-UHFFFAOYSA-N 440.250 4.154 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C 801049652 WGEYLXKGNDEIMF-YOEHRIQHSA-N 437.562 4.227 5 20 IIBD COC(=O)c1sccc1COC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 801313314 ARBMOHRVZJORFC-UHFFFAOYSA-N 429.400 4.165 5 20 IIBD Cc1noc(-c2ccccc2)c1NC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] 803102872 SXUATIRHYOAOAR-UHFFFAOYSA-N 445.273 4.396 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CC[C@H](COC(=O)c2c(F)ccc([N+](=O)[O-])c2F)CC1 811144732 DNQCYAMUNKUFDL-JOCQHMNTSA-N 428.432 4.361 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CCC3(CC2)OCCCO3)cc1 816645606 BXDVOFQGWKDNOG-UHFFFAOYSA-N 434.496 4.177 5 20 IIBD COc1ccc(-c2nnc(S/C=C\c3ccc([N+](=O)[O-])o3)n2C[C@H]2CCCO2)cc1 825212825 SIEWHXMUDIYFNE-XSLBHYSZSA-N 428.470 4.397 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1Br 918142657 GYPSBRJFKVIZAC-UHFFFAOYSA-N 426.075 4.465 5 20 IIBD CCCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c(C)c1 918166031 LUJCGLGLWQOLJH-UHFFFAOYSA-N 429.292 4.255 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 919213008 GOWIRGRWKODVCB-LLVKDONJSA-N 432.816 4.495 5 20 IIBD C[C@H](OC(=O)c1csc([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 919371272 ANSLOBKVMZDZJE-LBPRGKRZSA-N 432.454 4.272 5 20 IIBD Cc1ccc(CNC(=O)c2ccccc2NC(=O)CNc2cc([N+](=O)[O-])ccc2F)cc1 921059209 PVINCCRTYODHJZ-UHFFFAOYSA-N 436.443 4.023 5 20 IIBD C[C@H](Oc1cccc(Br)c1)c1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)o1 1118067026 ZVXYECFUGZKVAI-VIFPVBQESA-N 435.190 4.456 5 20 IIBD O=C(OCc1cc(-c2ccc(Cl)cc2)no1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 1317747885 LSYDRZHNTOOOTR-UHFFFAOYSA-N 443.843 4.097 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2cc(-c3ccco3)nn2C)cc1[N+](=O)[O-])c1ccccn1 1324759206 FUKGTMJADFCJDF-AWEZNQCLSA-N 432.440 4.409 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2[nH]c3c(Br)cccc3c2C1 1337764784 AYYYZXBYQADPKC-UHFFFAOYSA-N 429.274 4.079 5 20 IIBD Cc1cccc(CC(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CCC2)c1 1785747557 BJCVVMLWTSTBQZ-UHFFFAOYSA-N 433.464 4.487 5 20 IIBD Cc1ccncc1C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)CCC1 1790621823 KHUBRHLYDJAESI-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]3C3CC3)CCC2)cc1)c1cc(O)cc([N+](=O)[O-])c1 1790755687 QPLMCVFSVPZKRV-LEWJYISDSA-N 435.480 4.094 5 20 IIBD O=C(c1ccsc1)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3cccc([N+](=O)[O-])c3)CCC1)C2 1794989129 AVZOVYJQZAKLBG-REPLKXPHSA-N 439.537 4.030 5 20 IIBD CC(C)(C)CC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc(F)ccc2[N+](=O)[O-])CC1 1832887339 LFEWRUNPKFRREC-FQEVSTJZSA-N 447.551 4.332 5 20 IIBD O=C(c1cccc2ccccc12)N1CC2(CCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)C1 1841807633 DTTBIGDOYPNZFK-UHFFFAOYSA-N 443.503 4.198 5 20 IIBD CC(C)[C@@H](C(=O)N1CCCC12CN(C(=O)c1ccc([N+](=O)[O-])o1)C2)c1ccc(Cl)cc1 1845931441 BBBHZDQFADJHGR-LJQANCHMSA-N 445.903 4.098 5 20 IIBD C[C@@H](OC(=O)c1ccc(Br)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 3508657 PRESQHVCMXUDHA-SECBINFHSA-N 427.638 4.195 5 20 IIBD O=C(COC(=O)c1ccccc1NCc1ccco1)Nc1ccc(Cl)cc1[N+](=O)[O-] 9023273 LUXPYRLPUOJYNW-UHFFFAOYSA-N 429.816 4.249 5 20 IIBD O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cc(Cl)ccc1[N+](=O)[O-] 15961943 AVKFWOCMVHCLBD-UHFFFAOYSA-N 429.782 4.356 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1csc(-c2ccc(Cl)cc2)n1 16457240 ZEVRJCXRQQNUHF-UHFFFAOYSA-N 447.856 4.176 5 20 IIBD COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 21048751 OSAKMOZZQCMJSE-GASCZTMLSA-N 440.500 4.296 5 20 IIBD Cc1nc(-c2cccs2)c(CC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)s1 21998863 LQIOXUPXIYGCRX-UHFFFAOYSA-N 431.495 4.121 5 20 IIBD COc1ccc(-c2csc(NC(=O)[C@H](C)N(C)Cc3ccccc3[N+](=O)[O-])n2)cc1 26349381 VIMQZPURTJIYAK-AWEZNQCLSA-N 426.498 4.186 5 20 IIBD CCOc1ncccc1CNC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 30308911 LYRSGUDIFYMCAJ-UHFFFAOYSA-N 430.511 4.235 5 20 IIBD C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1 31929963 LBOJQONEROWHFN-QZTJIDSGSA-N 439.512 4.035 5 20 IIBD COc1cccc(OC)c1Oc1ccc(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cn1 58534033 YVTJKSQXAYFRCO-UHFFFAOYSA-N 448.435 4.211 5 20 IIBD COc1ccc(CSCC(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)cc1[N+](=O)[O-] 64962954 LHCZCLVZFDFHPR-LJQANCHMSA-N 448.516 4.184 5 20 IIBD CC(C)OCCOCc1cccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 65785885 UERKJJJUFXOLQI-UHFFFAOYSA-N 427.501 4.389 5 20 IIBD O=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 78659738 BLDLHBVZVWRGDS-QGZVFWFLSA-N 429.448 4.144 5 20 IIBD COc1cc(C(=O)Nc2cnc3ccccc3c2)c([N+](=O)[O-])cc1OCc1cscn1 108905729 SIGXALOOVKMOGO-UHFFFAOYSA-N 436.449 4.439 5 20 IIBD O=C(Nc1ccccc1NS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1Cl 109567161 BHYHLLFTIVVZSL-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD O=C(NCC(=O)N1CCCc2ccccc21)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 115793910 QLLGNYKNJJJYKG-UHFFFAOYSA-N 431.448 4.096 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N[C@@H](c1ccccc1)c1ccccn1 139409402 JDOYNODLYYQPRU-SFHVURJKSA-N 437.399 4.485 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCc1sccc1Br 301232681 IQKKOANGZCQMGT-UHFFFAOYSA-N 427.248 4.027 5 20 IIBD COc1ccc(NC(=O)c2ccc(I)c(Cl)c2)c([N+](=O)[O-])c1 389550498 QKAYFEGVBAVPQV-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2nc3c(s2)C[C@H](c2ccccc2)CC3)cc1[N+](=O)[O-] 409576069 UFCSJGRMJNCGKH-OAHLLOKOSA-N 429.523 4.433 5 20 IIBD CC[C@@]1(CO)CCCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 426467823 DAIDPHPBJCDYDD-IFMALSPDSA-N 431.920 4.413 5 20 IIBD COC(=O)c1cc(Br)cc(NC(=O)c2ccc([N+](=O)[O-])cc2OC)c1Cl 427393312 YKZBLFPYHCNZRL-UHFFFAOYSA-N 443.637 4.058 5 20 IIBD Cc1c(C(=O)Nc2ccc(Oc3ccc(CO)cc3)cc2)nnn1-c1cccc([N+](=O)[O-])c1 428000076 HQMQPDNAGJSUGC-UHFFFAOYSA-N 445.435 4.021 5 20 IIBD COC(=O)[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(OC(F)F)cc1 428056659 HRGWAVGVSQIKAU-IBGZPJMESA-N 432.379 4.460 5 20 IIBD CC1CCN(C(=O)c2ccc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])cc2)CC1 429870869 JQINTFDHMJXARE-UHFFFAOYSA-N 446.301 4.482 5 20 IIBD COc1cc(C(=O)N2CCO[C@H]3CCC[C@H]32)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 431233052 AHEWVOVGDCMTAK-WBVHZDCISA-N 432.860 4.443 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccc3nc(N(C)C)[nH]c3c2)cc1[N+](=O)[O-])c1ccccn1 431654285 PKGUVHOXPSBRRD-CQSZACIVSA-N 445.483 4.358 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 432034136 RHHBNAPNAAXGHJ-MRXNPFEDSA-N 444.557 4.000 5 20 IIBD CC(C)(NC(=O)Nc1ccc(F)cc1I)c1ccccc1[N+](=O)[O-] 433018768 GCAIEPYZDGXGHU-UHFFFAOYSA-N 443.216 4.395 5 20 IIBD CCCOc1cccc(CCNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 433819421 QERUZHZEVDBJMG-UHFFFAOYSA-N 427.501 4.179 5 20 IIBD O=C(NC1(c2ccc(Cl)cc2)CCCC1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 435721292 HPUSIRSGANQCKS-UHFFFAOYSA-N 441.871 4.101 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCN(C/C=C\c2ccccc2)CC1 435833544 FTIZMYWJPWNVJR-TWGQIWQCSA-N 441.506 4.292 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1-c1nc(-c2ccc(O)c(F)c2)no1 436874413 QEBRKIXMEXCYSS-UHFFFAOYSA-N 441.156 4.070 5 20 IIBD CCc1ccnc(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)c1 437105424 CHOAPYRTBBAUNE-UHFFFAOYSA-N 442.522 4.020 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N[C@H](C)c2nc(C(C)(C)C)no2)cc1[N+](=O)[O-])c1ccccn1 437136646 ZPDWTSMUMYODDW-ZIAGYGMSSA-N 438.488 4.334 5 20 IIBD CN1CCC(N(Cc2ccccc2)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 438557657 DGWSVBJOYCTOPT-UHFFFAOYSA-N 436.537 4.455 5 20 IIBD C[C@@H]1CC[C@@H](CCC(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)O1 439027458 XVLKZWCCZLOTOR-MSOLQXFVSA-N 443.569 4.315 5 20 IIBD O=C(CCN1C(=O)CCc2ccccc21)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 440604615 WJAXLHOFBABPJR-UHFFFAOYSA-N 429.476 4.498 5 20 IIBD COc1cc(OC)c2cc(CCCNC(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)[nH]c2c1 440947374 CJHDNPNQIMUHRZ-HNNXBMFYSA-N 440.500 4.395 5 20 IIBD CC[C@@H](c1ccccc1)c1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 461705383 SFBIJDRLJFQSOP-REWPJTCUSA-N 449.555 4.444 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(NC[C@H](OC)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 462895199 KMASGAPOJLCYCX-IBGZPJMESA-N 441.937 4.078 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 464056830 YNAUNPMBAHTCRS-GOSISDBHSA-N 435.402 4.436 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)[C@H](C)c1ccccc1Br 464057256 XJKAPZOBWLIOAU-CYBMUJFWSA-N 434.290 4.132 5 20 IIBD CCC(CC)(CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccccc1 464690497 WCSAOMZLOBXLKC-QFIPXVFZSA-N 437.540 4.382 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 467975091 YNOOOUBWPSKEKT-HKBQPEDESA-N 437.521 4.408 5 20 IIBD CN(Cc1cccc(Br)c1OC[C@@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])cc1 468043362 USITYKWMXAGOLY-KRWDZBQOSA-N 449.301 4.187 5 20 IIBD C[C@H](O)C[C@H](CNC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)c1ccccc1 468801577 BOTQXQNKTZQQII-ZVVDCOBXSA-N 439.556 4.362 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(C)cc1C 471840571 UHPXJSZKKCHAMD-UHFFFAOYSA-N 427.457 4.074 5 20 IIBD O=[N+]([O-])c1ccccc1OCCOc1ccc(Oc2ncc(Br)cn2)cc1 473664004 HWTCQNYDXQWXGT-UHFFFAOYSA-N 432.230 4.397 5 20 IIBD COCCN(C(=O)c1cccc([N+](=O)[O-])c1OC)[C@@H](C)c1cccc(C(F)(F)F)c1 475384480 WELHWYLMVCPMFF-ZDUSSCGKSA-N 426.391 4.472 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 475399723 WOHISWQAWREBAR-VQTJNVASSA-N 447.438 4.305 5 20 IIBD Cc1cccc2nc(CNC(=O)c3ccc(N[C@H](C)c4ccccn4)c([N+](=O)[O-])c3)n(C)c12 475443795 VLDMSJQHRKPMFC-MRXNPFEDSA-N 444.495 4.288 5 20 IIBD C[C@@H]1CCC[C@@H](n2c(SCc3c([N+](=O)[O-])ncn3C)nc3ccccc3c2=O)[C@@H]1C 476478927 BVOXMOFOHXRYFK-CKEIUWERSA-N 427.530 4.328 5 20 IIBD CC(=O)Nc1cccc(-n2c(SCc3ccc([N+](=O)[O-])cc3F)nnc2C2CC2)c1 476516124 YVIVVISVQPINHT-UHFFFAOYSA-N 427.461 4.443 5 20 IIBD Cc1ccc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1NC(=O)N(C)C 478653001 RLWIVBZQXFOOBK-UHFFFAOYSA-N 435.278 4.320 5 20 IIBD CC(=O)Nc1sc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)nc1-c1ccccc1 479347226 KADSZVIMIXFKFF-UHFFFAOYSA-N 448.464 4.115 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1ccc(OC(F)F)c2cccnc12 479565271 JBDHHXUSLOTMJY-UHFFFAOYSA-N 429.788 4.199 5 20 IIBD Cc1occc1C(=O)Nc1cc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)ccc1F 479866791 PPSIYJUCXWHXLA-UHFFFAOYSA-N 449.398 4.326 5 20 IIBD CCN([C@@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 481453163 MNMDKETTZGQAMX-QFIPXVFZSA-N 425.510 4.240 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC(O)(Cc4ccc(F)cc4)CC3)o2)c1 481624641 OGLHZBMIDQKMLR-UHFFFAOYSA-N 425.460 4.001 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@@H]2CC[C@@H](c3ccccc3)C[C@@H]2OC)c(C)c([N+](=O)[O-])c1 483534947 UJVULQIYCZBTBH-BLIXFSHQSA-N 441.484 4.163 5 20 IIBD CCO[C@H](C)c1nc(CN2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)cs1 484560580 FZUXBHDTLBAHKZ-OAHLLOKOSA-N 427.530 4.019 5 20 IIBD CCN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@H](C)Cc1ccccc1C(F)(F)F 484705208 TXGBHHRMCBYIDD-CQSZACIVSA-N 447.417 4.288 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1SC 484920399 XMMZKIVXRINEEM-UHFFFAOYSA-N 449.960 4.373 5 20 IIBD COc1cc(N[C@@H]2CCCN(C(=O)c3cccc(SC)c3[N+](=O)[O-])C2)cc(OC)c1 486726978 DLBGIRUFNZMOPV-CQSZACIVSA-N 431.514 4.051 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc(Cc2cccc(F)c2)s1 487077122 UXWXMNHGPJSQIU-UHFFFAOYSA-N 448.501 4.167 5 20 IIBD C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 488533000 XXRVZJDUIRNSLB-IRXDYDNUSA-N 447.495 4.151 5 20 IIBD O=C(Nc1ccc(Cl)c(Br)c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 488962655 TYQXOXIOTPTNKY-UHFFFAOYSA-N 428.674 4.076 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 489965743 NOCQJRXPJIVYPM-HZPDHXFCSA-N 437.496 4.279 5 20 IIBD Cc1ccccc1[C@H](C(C)C)N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 491572932 DVIMZIGWQJWNNO-SFHVURJKSA-N 435.427 4.299 5 20 IIBD O=C(NCc1ccc(OC2CCCC2)nc1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 494186950 WWDGCXFNCOGXGK-UHFFFAOYSA-N 438.406 4.329 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)N1CCS[C@@H]2COCC[C@@H]21 494429566 KAZCZYQBZIZSCB-VQTJNVASSA-N 447.944 4.207 5 20 IIBD C[C@@H](O)CCN(C)[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 494912105 WCZXZBLGFJPWDS-QRWLVFNGSA-N 440.525 4.101 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cccc(C(=O)N2CCc3ccccc32)c1 499688776 ZHZFJYBBHUNROK-UHFFFAOYSA-N 440.459 4.391 5 20 IIBD O=C(N[C@]1(Cc2ccc(Cl)cc2)CCOC1)c1ccc([N+](=O)[O-])cc1Br 500315049 JOFSPZJCJYANNU-SFHVURJKSA-N 439.693 4.142 5 20 IIBD O=C(Cn1cc(Cl)cc([N+](=O)[O-])c1=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 502140805 GQVCZLUONQCIRI-CQSZACIVSA-N 430.675 4.080 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 502186886 JRNTXMIIMIUJOQ-OAQYLSRUSA-N 425.872 4.389 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(COc3ccc(-c4noc([C@@H]5CCCO5)n4)cc3)n2)cc1 504490105 UGGGXMXPVDMEHL-KRWDZBQOSA-N 435.396 4.125 5 20 IIBD CCCOc1cc(NC(=O)c2cc(OC)c3c(c2)OCCO3)c([N+](=O)[O-])cc1OCCC 505066461 YQZJWXFHGSRSDK-UHFFFAOYSA-N 446.456 4.205 5 20 IIBD CCc1cc(Sc2nnc(NC[C@@H]3CCCO3)s2)nc(-c2ccc([N+](=O)[O-])cc2)n1 507101294 CTQHPVOMAVDHOW-HNNXBMFYSA-N 444.542 4.208 5 20 IIBD Cc1ccc(-c2csc(NC(=O)c3ccccc3S[C@H](C)C(N)=O)n2)cc1[N+](=O)[O-] 509116437 AYCNLYVOKZASRX-GFCCVEGCSA-N 442.522 4.245 5 20 IIBD CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 509432274 LYQQKTSNWHERSF-YWZLYKJASA-N 431.514 4.094 5 20 IIBD CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc(OC)c(OC)c1 510422682 XVEZHMUYVQQTKX-AWEZNQCLSA-N 448.419 4.060 5 20 IIBD COc1ccc(C(=O)C2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)cc1 510817208 QKCYBRFYHLHAPD-UHFFFAOYSA-N 449.410 4.332 5 20 IIBD O=C(NCCCNc1ccc(C(F)(F)F)cn1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 510862830 BKYWAEVMFUHXCS-UHFFFAOYSA-N 449.336 4.234 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@H](c1cccc(OC(F)(F)F)c1)C1CC1 511240887 NAGBWPDJUXCFJN-KRWDZBQOSA-N 430.404 4.064 5 20 IIBD Cc1c(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cccc1S(=O)(=O)NC1CC1 512590687 QQSSLKHVYBFVLH-UHFFFAOYSA-N 427.482 4.216 5 20 IIBD COc1cc(C)c([C@H](C)NC(=O)CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1OC 513386022 DXXHHXTYZZHULS-KRWDZBQOSA-N 429.517 4.008 5 20 IIBD CN(c1ccccc1)c1ccc(CNCc2ccccc2CN2CC[C@@H](O)C2)cc1[N+](=O)[O-] 514249991 NHOBXGZALAWFHP-XMMPIXPASA-N 446.551 4.219 5 20 IIBD Cc1ccc(-n2nc(C(=O)Nc3ccnn3-c3ccc([N+](=O)[O-])cc3)c3c2CCC3)c(F)c1 517590597 OYUPWVCXWZVTJJ-UHFFFAOYSA-N 446.442 4.155 5 20 IIBD Cc1cccc(COc2cccc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1 517648049 VPALNOIDZKDBFL-UHFFFAOYSA-N 433.464 4.241 5 20 IIBD CCC(=O)Nc1cccc(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 518431027 MFYQCPQQJLGRHS-MRXNPFEDSA-N 447.495 4.441 5 20 IIBD COc1cc(OCC(=O)Nc2nc3c(s2)C[C@@H](c2ccccc2)CC3)ccc1[N+](=O)[O-] 519074992 GAIBWHCWCNLRPB-HNNXBMFYSA-N 439.493 4.350 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(NCc2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 519888082 VSVBVDDNAWSLGK-UHFFFAOYSA-N 431.436 4.256 5 20 IIBD C[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1nc2ccccc2n1C(F)F 521390173 LEAIGPTZFXXUEH-LBPRGKRZSA-N 426.383 4.016 5 20 IIBD CCCc1[nH]nc(C(=O)NC[C@H](c2ccc(OC)cc2)c2c[nH]c3ccccc23)c1[N+](=O)[O-] 521858541 UGWDBWNBUOJZJP-GOSISDBHSA-N 447.495 4.322 5 20 IIBD COc1ccc(Cl)cc1N1CC[C@H](NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 523256093 STMCDYOICOGOMS-ZFWWWQNUSA-N 435.933 4.133 5 20 IIBD CC(C)(C(=O)Nc1nc2ccccc2n1CCCn1ccnc1)c1ccc([N+](=O)[O-])cc1 523506399 PGILLBIOCQMFPU-UHFFFAOYSA-N 432.484 4.148 5 20 IIBD COc1cccc(CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C2CCC(O)CC2)c1 533436875 PPRJHZMWBJLFIW-UHFFFAOYSA-N 447.919 4.001 5 20 IIBD CCOc1cc(NC(=O)N[C@@H](C)c2ccc([S@@](C)=O)cc2)c([N+](=O)[O-])cc1OCC 533742812 INMIIHPXTGXLPV-GNDSEDMPSA-N 435.502 4.012 5 20 IIBD COCCCOc1cccc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)c1 538251146 DPZDVVCXXNGAPR-UHFFFAOYSA-N 427.482 4.410 5 20 IIBD CC[C@@H]1Oc2cc([C@@H](C)N[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)ccc2NC1=O 539361094 IAZOXUOHFJBRGO-VFVRVIDISA-N 437.456 4.166 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 540805424 QGWLZTDEYWCZKX-HNAYVOBHSA-N 431.558 4.103 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)cc1OC 541056535 JXGBJHAFKIYBPO-SQGPQFPESA-N 445.560 4.004 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 543023734 QQVFOBZIOCIGCJ-UHFFFAOYSA-N 446.794 4.254 5 20 IIBD COc1ccc(-c2nnc(Sc3ncc([N+](=O)[O-])c(C)c3Br)n2C)cc1 543449196 FMASJZUNLZUEME-UHFFFAOYSA-N 436.291 4.016 5 20 IIBD CSc1ccc(-c2noc(CSc3ccc(C(N)=O)cc3[N+](=O)[O-])n2)c(Cl)c1 545806978 SYTXMNKCVOHDLC-UHFFFAOYSA-N 436.902 4.411 5 20 IIBD Cc1nc(-c2cccc(-c3noc(CN4C(=O)COc5ccc([N+](=O)[O-])cc54)n3)c2)cs1 547098618 PCZBMAFJXQEVKK-UHFFFAOYSA-N 449.448 4.002 5 20 IIBD COc1cc(OC)cc(C2(F)CCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)CC2)c1 554999486 LKHULIPJSWRGCU-UHFFFAOYSA-N 443.475 4.287 5 20 IIBD COc1cc(CNc2cc(C(=O)O)c(C)cc2C)c([N+](=O)[O-])cc1OCC(F)(F)F 556321246 IKMPKQVLYDCTPL-UHFFFAOYSA-N 428.363 4.472 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCCN2Cc2ccccc21 556378329 YLSSLSIYDLBMTJ-HNNXBMFYSA-N 430.302 4.291 5 20 IIBD C[C@@H](O)C[C@@H]1CCCCCN1C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 557568507 DTYRGQRVQVXCAL-OLZOCXBDSA-N 441.315 4.243 5 20 IIBD CCOc1ccc([C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])c2cccc(Cl)c2)cc1 569656698 OHSHKMKMLGYNJE-SFHVURJKSA-N 426.860 4.342 5 20 IIBD Cc1ccc(Cl)cc1N(C)C(=O)c1cc(I)cc([N+](=O)[O-])c1 569879656 CKECYRZWIKFOOV-UHFFFAOYSA-N 430.629 4.438 5 20 IIBD CCCN(C)[C@H](CNC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1ccc(Cl)cc1 576131620 ZLRFAACCEOARFI-HXUWFJFHSA-N 442.903 4.315 5 20 IIBD Cc1nc2c(s1)[C@@H](N(C)Cc1cc(I)cc([N+](=O)[O-])c1)CCC2 579042578 RWFPYAGEIMAJEV-HNNXBMFYSA-N 443.310 4.474 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2c2nc(-c3cnn(-c4ccccc4)c3)no2)ccc1[N+](=O)[O-] 589146269 YYNHPHKGWFZVHN-HXUWFJFHSA-N 444.451 4.116 5 20 IIBD Cc1cccc(Oc2ccccc2NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 603649430 IJJOLNXCKYVCJO-UHFFFAOYSA-N 433.468 4.445 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 603727544 WIWGDTZIKHFAFE-SFHVURJKSA-N 449.492 4.216 5 20 IIBD C[C@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 603982635 MSXBDEDRGXZLKF-ZDUSSCGKSA-N 437.905 4.064 5 20 IIBD COc1ccc(CNC(=O)c2c(-n3cccc3)sc3c2CCSC3)cc1[N+](=O)[O-] 604016534 FTGGVGIRQMCCJX-UHFFFAOYSA-N 429.523 4.175 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)c([N+](=O)[O-])c1 608927890 ONDBNXBXJWJEEZ-UHFFFAOYSA-N 433.389 4.212 5 20 IIBD CSCCc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 609014589 WFEGFKSHLJLQHB-FQEVSTJZSA-N 427.526 4.052 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)no1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 609449486 YCURFLBHDINIML-JOCHJYFZSA-N 438.459 4.059 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 609646659 GTROYVYSFDQGGW-DZGCQCFKSA-N 439.459 4.489 5 20 IIBD C[C@@H](c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c1)N1CCOCC1 610044729 MDYAXDOFQFJQHF-ZDUSSCGKSA-N 434.290 4.003 5 20 IIBD Cc1ccc(-c2csc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4F)C3)n2)cc1[N+](=O)[O-] 619729456 DRTDXMCYJIISLE-CQSZACIVSA-N 440.456 4.157 5 20 IIBD O=C1CN(CN2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C(=O)N1c1cccc([N+](=O)[O-])c1 726586399 YNWYNNXRCMDHEF-SFHVURJKSA-N 449.294 4.465 5 20 IIBD COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727329431 KNBGLEAOXNKPGJ-UHFFFAOYSA-N 443.809 4.238 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Oc1ccc(Cl)cc1Cl 728575569 ZREHGLPSRFBQSD-UHFFFAOYSA-N 427.059 4.432 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Oc1ccc(Cl)c2cccnc12 728578604 LJDRZSADGLWHEZ-UHFFFAOYSA-N 443.662 4.327 5 20 IIBD COc1ccccc1SC[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 728892917 BCUFYXNQKJMOQS-MRXNPFEDSA-N 429.542 4.362 5 20 IIBD O=C(Nc1ccc2ncsc2c1)c1ccc(I)c([N+](=O)[O-])c1 730476663 BGIUKSRJKRRXGT-UHFFFAOYSA-N 425.207 4.061 5 20 IIBD C[C@@H](OC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)c1ccccc1[N+](=O)[O-] 730922877 MXHIZQOBIZUGPN-MRXNPFEDSA-N 425.462 4.487 5 20 IIBD CN(C)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(N(C)C)cc3)c([N+](=O)[O-])c2)cc1 731605214 FDVFZALDNVLMSX-UHFFFAOYSA-N 447.495 4.231 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)cc1SC 732295918 JXQWWFQTRZLXPX-CQSZACIVSA-N 431.297 4.096 5 20 IIBD COc1ccc(CC(=O)Nc2cc(-c3ccccc3Br)no2)cc1[N+](=O)[O-] 736681744 YXFRBODQHSZYIX-UHFFFAOYSA-N 432.230 4.202 5 20 IIBD CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 741233128 JZKXYTFXBWJCAR-IPELMVKDSA-N 443.887 4.044 5 20 IIBD CCc1ccc(N2CCN(C(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])CC2)cc1 742902804 GVWXEZKQWWNEEX-UHFFFAOYSA-N 437.418 4.061 5 20 IIBD CC1(C)[C@@H]2OCCC[C@@H]2[C@H]1OC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 744191070 XXPQKQUYHYCVRC-YMRXKLBXSA-N 440.283 4.448 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@H](C)Oc3cccc(F)c3)CC2)ccc1[N+](=O)[O-] 744204480 NVPUGSACZKXAHH-HNNXBMFYSA-N 432.448 4.112 5 20 IIBD O=[N+]([O-])c1cc(-c2ccccc2)ccc1OS(=O)(=O)c1cncc(Br)c1 744243352 GBAWQMNUKJPDBW-UHFFFAOYSA-N 435.255 4.187 5 20 IIBD C[C@@H](OC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 744741952 VQAIXNUAXBJXPY-NXEZZACHSA-N 445.230 4.378 5 20 IIBD Cc1ccc(Br)cc1C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 745255628 XIOHQDPBAWZXIZ-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD CN(C(=O)COC(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)c1ccc(F)cc1 745333519 NVJKDKHZWHWIKA-DEOSSOPVSA-N 436.439 4.068 5 20 IIBD COc1ccc(-c2noc(CCCC(=O)OCc3cc(Cl)ccc3[N+](=O)[O-])n2)cc1 746064433 HATMIRQASDMDLQ-UHFFFAOYSA-N 431.832 4.373 5 20 IIBD CCc1c(C(=O)COC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[nH]c(C)c1C(C)=O 747119367 OZGGQHILHUFZQB-UHFFFAOYSA-N 426.347 4.055 5 20 IIBD CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 748635986 ZTVHGMDWHIOQRP-UHFFFAOYSA-N 440.334 4.349 5 20 IIBD Cc1c(C(=O)N(C)Cc2ccc(OC(F)(F)F)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748706512 WRTBLWXLOPXRLJ-UHFFFAOYSA-N 427.335 4.291 5 20 IIBD Cc1c(C(=O)OCC(=O)Nc2c(Cl)cccc2Cl)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748951948 SWSJJDVCIGHIAG-UHFFFAOYSA-N 442.211 4.222 5 20 IIBD O=C(Cn1nc(-c2ccccc2)ccc1=O)Oc1ccc(Cc2ccccc2)cc1[N+](=O)[O-] 749064865 HVBIAYQYINXROI-UHFFFAOYSA-N 441.443 4.015 5 20 IIBD CCOc1c(OC)cc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1OC 751037026 VWAIJQVRSRCCCC-AUWJEWJLSA-N 432.816 4.009 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1COC(=O)c1cc([N+](=O)[O-])c(Br)cc1F 751689872 DDZJPDSDPBHUAJ-SNVBAGLBSA-N 447.257 4.053 5 20 IIBD C[C@H](OC(=O)c1c(F)ccc([N+](=O)[O-])c1F)C(=O)N[C@H](C)c1ccc2ccccc2c1 752557598 BXUAVFLVBWUPMY-OLZOCXBDSA-N 428.391 4.449 5 20 IIBD O=C(O[C@@H](C(=O)NCc1ccccc1)c1ccccc1)c1c(F)ccc([N+](=O)[O-])c1F 752568981 XCZIMJRRNLMKCE-HXUWFJFHSA-N 426.375 4.088 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)N1CCC[C@H]1c1cccs1 754985076 ROUQNZIMAWCRIY-HZMBPMFUSA-N 426.853 4.358 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1nnc(C2CCCCC2)s1 755133033 GCQXVYCIOLTGMW-UHFFFAOYSA-N 425.308 4.438 5 20 IIBD CNc1nc(C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cs1 756211501 RMCPOKIJWAGQKP-MRXNPFEDSA-N 446.872 4.283 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 756998141 WLBJGAKFLFKWSV-ZDUSSCGKSA-N 442.686 4.224 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)ccc1Cl 758807096 YBYOCSICEXTMMM-VIFPVBQESA-N 446.765 4.460 5 20 IIBD Cc1noc(C)c1-c1ccc(OC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1 759912711 TXBHLQSFSLFOQE-UHFFFAOYSA-N 437.408 4.160 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H](C)O[C@H](c3ccsc3)C2)CC1 759976926 JTWLFOPXHXKHGE-IERDGZPVSA-N 429.542 4.495 5 20 IIBD Cc1oc(-c2ccccc2)nc1Cc1noc(-c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)n1 761507075 WRSKNHMQQOOJLL-UHFFFAOYSA-N 428.408 4.385 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(NC(=O)Oc2ccccc2)CC1 764107387 MZLMOGNRMJWSAT-UHFFFAOYSA-N 429.498 4.100 5 20 IIBD CC(=O)CCCCCCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 764107869 UUAHMOUHHGEYPC-UHFFFAOYSA-N 429.439 4.192 5 20 IIBD Cc1nccn1-c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cn1 764843150 FPRRFWMCTHGGQO-UHFFFAOYSA-N 428.452 4.348 5 20 IIBD CCN(C(=O)COC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@@H](C)c1ccc(F)cc1 766223953 JJBSMQSTBHAEHF-AWEZNQCLSA-N 425.416 4.049 5 20 IIBD C[C@@H](c1ccccn1)N(C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1ccc(N(C)C)cc1 766603864 JUVMFMNVMBBFBA-INIZCTEOSA-N 448.479 4.235 5 20 IIBD CCCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCN(C(=O)OC(C)(C)C)CC1 768538535 AGEUOVBCPFUQEX-UHFFFAOYSA-N 445.520 4.256 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Oc2ccc3c(c2)CN(C)C3=O)cc1 769297598 YOXMOMCJNNHNNA-UHFFFAOYSA-N 434.404 4.201 5 20 IIBD CN(c1ccccc1)c1ccc(CN2CCC[C@@H]([C@@H](O)c3nccn3C)C2)cc1[N+](=O)[O-] 770333428 XPGYQQGWHLGMED-AUSIDOKSSA-N 435.528 4.042 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(Cn3nc(Br)cc3Br)co2)cc1 777585536 LRVSBIGPHIIIDE-UHFFFAOYSA-N 428.040 4.020 5 20 IIBD C[C@H](OC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1Br 778169596 LKZDRJOVHJNWEP-JTQLQIEISA-N 443.200 4.020 5 20 IIBD COc1nn(C)c2nc(C)c(CCC(=O)O[C@H](C)c3cc([N+](=O)[O-])ccc3C)c(C)c12 778772528 QGYKIZBAFLVZMS-OAHLLOKOSA-N 426.473 4.047 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 778801068 UQZDRBNMXBJLHE-NSHDSACASA-N 431.242 4.425 5 20 IIBD O=C(O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccc2[nH]c3ccccc3c(=O)c2c1 781508430 PSLYKDSUFYFVHD-WOJBJXKFSA-N 432.436 4.127 5 20 IIBD O=C(Nc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2Br)cc1)c1ccco1 782168131 YYRXZDSESHCNBA-UHFFFAOYSA-N 444.241 4.133 5 20 IIBD O=C(NCc1ccc(Oc2ccccc2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 783320704 ZAQAZNPWHJCHCP-UHFFFAOYSA-N 425.828 4.295 5 20 IIBD Cn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 789737781 KEAGYOBHELFLKK-UHFFFAOYSA-N 435.849 4.156 5 20 IIBD CCOC(=O)c1sc(NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)c(C(=O)OCC)c1C 790111267 FZGJORUMFQBMAA-UHFFFAOYSA-N 438.433 4.018 5 20 IIBD CCCNC(=O)c1ccc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])cc1Cl 790540767 GZBAAXJYVJMPAN-UHFFFAOYSA-N 428.247 4.362 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)cc1SC 791030805 XKXUCIUQZKEDGC-CYBMUJFWSA-N 445.497 4.115 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1c[nH]cc1-c1cnn(-c2ccccc2)c1 791777668 IWNASTNWYJHZJO-UHFFFAOYSA-N 433.380 4.041 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCc1nnc(-c2cccc(F)c2)o1 792472737 AYESRYCMURRZMT-UHFFFAOYSA-N 436.193 4.212 5 20 IIBD O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1CC[C@H](Sc2cccc(Cl)c2)C1 793788700 GCFBWNHSBQGRTJ-IBGZPJMESA-N 442.928 4.296 5 20 IIBD CC(C)c1[nH]nc(C(=O)OCC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)c1[N+](=O)[O-] 796258778 WQBTWVNUEXHZFE-KRWDZBQOSA-N 442.516 4.259 5 20 IIBD Cc1cc(OCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)ccc1[N+](=O)[O-] 797436782 PANQQEOOFXLZCO-UHFFFAOYSA-N 428.426 4.261 5 20 IIBD C[C@H](OC(=O)c1ccnc(-c2ccccc2)c1N)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 797484493 XFEGBSIHZIVXNZ-ZDUSSCGKSA-N 431.408 4.207 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 798541038 BOUCPVVTRKHRJF-UHFFFAOYSA-N 428.445 4.390 5 20 IIBD Cc1cc(C)cc([C@H](O)CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 801536701 PQERBUZGBVSLCT-GAJHUEQPSA-N 434.496 4.243 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@@H]1CCSc2ccc(Br)cc21 801877035 WHAXTZZIRHGZJK-CQSZACIVSA-N 440.294 4.388 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 801881580 SVHQAMJNXMEVPS-YSSFQJQWSA-N 449.463 4.099 5 20 IIBD Cc1nc(C2(NS(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)CCCCCC2)no1 809806649 DLBRBQOSOIXHAD-UHFFFAOYSA-N 449.316 4.121 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(Cl)cc1Cl 809830960 KSIOAOWDXCVUPO-MLGOLLRUSA-N 449.287 4.239 5 20 IIBD C[C@@]1(c2cc(F)ccc2F)NC(=O)N(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1=O 809952511 ZPHPCQURBKNMEN-KRWDZBQOSA-N 430.194 4.147 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](C)c1ccc(N2CCCCC2=O)cc1 811004717 BLNIDBFJAZSGPY-HUUCEWRRSA-N 445.903 4.410 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 813710347 FVVKJXCGCKXXJJ-JOCHJYFZSA-N 434.537 4.166 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)C1 814431633 NDVMOENBDGGTER-HOTGVXAUSA-N 435.496 4.233 5 20 IIBD CC(C)(C)OC(=O)N1CCc2ncc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])cc2C1 815942576 NDKUGQBSMSPJLK-UHFFFAOYSA-N 440.500 4.199 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc(N2CCCOC2=O)cc1 817279187 OHXAAXAPRUYRCZ-LBPRGKRZSA-N 437.374 4.451 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)Nc1ccc(Cl)c(Cl)c1 846288134 NDJFZXIDEORMFG-UHFFFAOYSA-N 438.267 4.297 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N[C@@H]2CCCC[C@@H]2C)cc1 915250427 SMURHBCYPVTNKW-MGPUTAFESA-N 442.468 4.247 5 20 IIBD CC1=C(C(=O)N(C)C)[C@@H](c2csc([N+](=O)[O-])c2)NC(=S)N1c1ccc(C)c(C)c1 917378937 VEIPGEWQIFLGFE-GOSISDBHSA-N 430.555 4.071 5 20 IIBD CSc1cc(C(=O)COC(=O)c2ccc(SC)c([N+](=O)[O-])c2)ccc1NC(C)=O 918817128 JFTIHDLPKWJHNM-UHFFFAOYSA-N 434.495 4.037 5 20 IIBD C[C@H](NC(=O)COC(=O)CCOc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl 919491352 PFKDPRSKQIFNIU-LBPRGKRZSA-N 441.267 4.091 5 20 IIBD C[C@H](OC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O)c1ccccc1[N+](=O)[O-] 920268054 MGQGNFNSYFJFKT-LRDDRELGSA-N 433.258 4.015 5 20 IIBD O=[N+]([O-])c1cc(-c2ccccc2)ccc1OCc1nnnn1-c1ccc(OC(F)F)cc1 920308093 XRAZZFZMQWGCPN-UHFFFAOYSA-N 439.378 4.418 5 20 IIBD O=C(Nc1ccccc1CS(=O)(=O)c1ccccc1)N1Cc2ccc([N+](=O)[O-])cc2C1 1252229908 VJJAOONOGKNFRV-UHFFFAOYSA-N 437.477 4.116 5 20 IIBD COc1cc(CN[C@@H]2CCCc3cnn(C(C)C)c32)c([N+](=O)[O-])cc1OCC(F)(F)F 1254927028 HUBCICATUKNDES-OAHLLOKOSA-N 442.438 4.489 5 20 IIBD COc1ccc([C@@H]2[C@H](c3nc(-c4cc(C)c([N+](=O)[O-])cc4C)no3)CCC(=O)N2C)cc1 1320498343 UJAVZZSMKSISRX-DYESRHJHSA-N 436.468 4.347 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(-c3ccc(Cl)c(S(=O)(=O)N4CCCCC4)c3)o2)c1 1328070121 LLHRVWUIECMCPM-UHFFFAOYSA-N 448.888 4.140 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1n[nH]c(-c2cccc(Cl)c2)n1 1340074063 OMTBBUAQBYLOHK-UHFFFAOYSA-N 436.653 4.357 5 20 IIBD C[C@@H]1CCC[C@H]1C(=O)Nc1ccc(C2(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)CCC2)cc1 1789204998 AVSCBELZWBQYQE-DNVCBOLYSA-N 437.496 4.484 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc2ccccc12 1800349626 FEMMDXZLWYNLFK-BCDXTJNWSA-N 447.466 4.453 5 20 IIBD Cc1ccc(C(=O)N2CCCC3(CCN(C(=O)c4ccc([N+](=O)[O-])[nH]4)CC3)C2)cc1Cl 1805081758 VHURFRMEGMSUAT-UHFFFAOYSA-N 444.919 4.043 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC2(CCN(C(=O)Cc3ccc(C)c([N+](=O)[O-])c3)CC2)C1 1805787329 YKPYYHCWVNUFQJ-SFHVURJKSA-N 429.561 4.113 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCCC2(CCN(C(=O)[C@H]3CC=CCC3)CC2)C1 1806493125 QOCMVLHGTYKOSF-NRFANRHFSA-N 439.556 4.115 5 20 IIBD C/C=C/C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)[nH]n1 1821885833 WCZNVGZNMSWEOC-DBKQCEECSA-N 437.500 4.008 5 20 IIBD C[C@@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)cc1 1847409230 SUYKMHYIWPJNDZ-CWVNLOTRSA-N 445.878 4.006 5 20 IIBD Cc1cc(I)ccc1NC(=O)COc1ccc(Cl)cc1[N+](=O)[O-] 14735543 HLRGGIZHFWPVND-UHFFFAOYSA-N 446.628 4.179 5 20 IIBD CC(C)[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc2c(c1)OCCO2 15027321 MOIKJZRWOJOGQX-HSZRJFAPSA-N 439.512 4.096 5 20 IIBD O=C(COC(=O)c1cc(C2CC2)nn1-c1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] 23085024 HSHHIPDTPPXUBM-UHFFFAOYSA-N 440.843 4.107 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 28415901 PPLKCBKHZIPNQI-GOSISDBHSA-N 437.924 4.433 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 28492458 DOKVBPQPTOTVPW-UHFFFAOYSA-N 445.884 4.230 5 20 IIBD COc1ccc(-c2nc(NC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)sc2C)cc1 58911244 MDLKBGIHTQNTQB-UHFFFAOYSA-N 435.465 4.473 5 20 IIBD CCN(C[C@H]1CCOC1)C(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 64320177 XCUUWCVSTFYFTR-OAHLLOKOSA-N 428.510 4.046 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 65213585 STFVZQDVVKAHFJ-UHFFFAOYSA-N 447.417 4.308 5 20 IIBD Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1C 96951522 YNFQUEMOWLWKMT-UHFFFAOYSA-N 433.530 4.012 5 20 IIBD Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 106119059 AASIWAVEFKRDGK-UHFFFAOYSA-N 440.500 4.052 5 20 IIBD O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 106210131 NPUHFHIXDDJQGD-SFHVURJKSA-N 436.295 4.464 5 20 IIBD COc1ccc(-c2nc(CNC(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)n[nH]2)cc1 110978678 IKBWBBLPTSLIDA-UHFFFAOYSA-N 444.451 4.062 5 20 IIBD O=C(NC[C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 116004028 LEAWHPMLVFOWPM-MRXNPFEDSA-N 428.920 4.105 5 20 IIBD CCC[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(=O)N1CCc2sccc2C1 116722365 LQYDTGSMHTXEJO-MRXNPFEDSA-N 443.550 4.354 5 20 IIBD COc1ccc(Br)cc1CN(C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 116910579 ZGHRMEQKALFXIO-UHFFFAOYSA-N 433.262 4.048 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(NC[C@@H]3CCN(c4cccc(Br)c4)C3)cc2N1 195640630 GOXNPLWGCDQIFO-ZDUSSCGKSA-N 445.317 4.180 5 20 IIBD Cc1ccc(Sc2ccc(CNCc3cccc(OCC(N)=O)c3)cc2[N+](=O)[O-])cc1 237873464 PDFUXYDOCZFEMO-UHFFFAOYSA-N 437.521 4.208 5 20 IIBD CCN(CC)[C@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1cccc(OC)c1 248260039 VLOWLWUXPGMLAA-HSZRJFAPSA-N 440.544 4.017 5 20 IIBD NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 301934623 QYXSTKQZJHWPMU-HIFRSBDPSA-N 429.420 4.009 5 20 IIBD Cc1nnnn1-c1ccc(F)c(NC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)c1 303278867 JLLIDPWASRSMLW-UHFFFAOYSA-N 444.492 4.409 5 20 IIBD CC(C)c1[nH]nc(C(=O)N2CCC(F)(c3ccccc3OC(F)(F)F)CC2)c1[N+](=O)[O-] 410168841 NREFHSXKHFFYIK-UHFFFAOYSA-N 444.385 4.441 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCO[C@@H](CCc2ccccc2)C1 426283405 NYCDIGOTQSQFOV-IBGZPJMESA-N 437.418 4.157 5 20 IIBD C[C@H](c1ccccc1)N(CC(N)=O)C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 426907165 NCCWPIVIHCVNHJ-MRXNPFEDSA-N 435.505 4.435 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)[C@H](c1ccc(Cl)cc1)c1cnccn1 427261512 YGJJEOPZNKYMLV-LJQANCHMSA-N 446.916 4.065 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 427269178 HGBAFVCQJFGDJM-CQSZACIVSA-N 437.427 4.486 5 20 IIBD Cc1ccc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc1N1CCNC1=O 427984968 ZNENYWFWIFOACM-UHFFFAOYSA-N 448.429 4.050 5 20 IIBD CN(CCCNC(=O)C1CCC1)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 429438680 XEZGLFZLJPKAGR-UHFFFAOYSA-N 427.526 4.124 5 20 IIBD CCn1ccnc1[C@@H]1CCCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 430006834 ZOFJGELQCOXQHR-ZDUSSCGKSA-N 433.317 4.034 5 20 IIBD Cc1c(CNC(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)cccc1[N+](=O)[O-] 430621849 KNACLKXZHGIMMK-UHFFFAOYSA-N 429.432 4.467 5 20 IIBD CCn1ccnc1[C@H]1CCCCN1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 430961069 BPJDTNPUERDFSA-MRXNPFEDSA-N 425.411 4.267 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1-c1nc(-c2ccc(N3CCCCC3)nc2)no1 430984287 CIOMJMHLQJCLAR-UHFFFAOYSA-N 430.262 4.460 5 20 IIBD Cc1cc(C)n(-c2ccc(-c3noc(-c4cc(Br)cc([N+](=O)[O-])c4)n3)cn2)n1 431315909 ATYOWBRYFLBLJW-UHFFFAOYSA-N 441.245 4.272 5 20 IIBD Cc1ncc(CN(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)s1 435489108 IQDDMIXFFJUJPC-UHFFFAOYSA-N 448.551 4.170 5 20 IIBD COc1ccc(NC(=O)c2cccc(OC)c2[N+](=O)[O-])cc1NC(=O)c1cccc(F)c1 435555828 ZZDKVVCCQBRFDH-UHFFFAOYSA-N 439.399 4.256 5 20 IIBD O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 436092647 XJLJSCPAKAQNAB-FQEVSTJZSA-N 445.450 4.190 5 20 IIBD O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 437063165 ZCSWAFNQYJZHMF-UHFFFAOYSA-N 441.793 4.397 5 20 IIBD Cc1ccc(-c2ncccc2NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)s1 437659844 YDHZOVFKIVILKG-UHFFFAOYSA-N 426.479 4.376 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 438649261 MBZASNFAWZJYEQ-UHFFFAOYSA-N 441.818 4.225 5 20 IIBD O=C(NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)c1ccc([N+](=O)[O-])c(O)c1 440147999 REDYBJIXEXWUIQ-UHFFFAOYSA-N 433.342 4.437 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)N(C[C@@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F 440419004 UWFXBQPAODRHOD-LJQANCHMSA-N 435.446 4.050 5 20 IIBD COc1ccc(NC(C)=O)cc1N(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(C)C 441586888 GNSGCWYIMKNYMD-CQSZACIVSA-N 431.514 4.484 5 20 IIBD COC(=O)c1sc2ccccc2c1S(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 443011635 QGTAWLOWSJBXAD-UHFFFAOYSA-N 448.522 4.195 5 20 IIBD COc1cccc(C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1[N+](=O)[O-] 444336738 OWDNFXIRLBHBNS-UHFFFAOYSA-N 429.476 4.131 5 20 IIBD O=C(CN[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)N1CCc2cc([N+](=O)[O-])ccc21 444798894 GXVQGRPYMZNHTL-QGZVFWFLSA-N 431.773 4.170 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)cc1-c1ncco1 446994360 RKAMSMNQRMOORZ-UHFFFAOYSA-N 438.259 4.122 5 20 IIBD O=[N+]([O-])c1cccc(OCCNC2(c3cccc(OC(F)(F)F)c3)CCOCC2)c1 447324286 FSMQQYWNIJWZCO-UHFFFAOYSA-N 426.391 4.168 5 20 IIBD CCOC(=O)[C@@]1(C(C)C)CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 447694349 HRBSQJUEVHMUON-HNNXBMFYSA-N 425.354 4.060 5 20 IIBD COc1cccc(O[C@H](C)CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 460514530 DMOPXAPVHRFTQL-QGZVFWFLSA-N 427.501 4.037 5 20 IIBD CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCc2cc(F)cc(C)c2C1 460788878 XAOPCCJXHGXOHK-UHFFFAOYSA-N 439.491 4.290 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(COc3ccc(S(=O)(=O)c4ccccc4)cc3)o2)cc1 463249581 FNAMWZLWRNNOCZ-UHFFFAOYSA-N 437.433 4.057 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1 463959906 SQJDKGDJKGOQPF-HXUWFJFHSA-N 432.908 4.060 5 20 IIBD CC(C)[C@@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(F)cc1F 468346284 NLPJJENLQFMFNW-HXUWFJFHSA-N 433.411 4.075 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccc(F)cc2F)C(C)C)cc1OC 468620748 LHFRYQGTXDSNRK-HXUWFJFHSA-N 438.427 4.034 5 20 IIBD COCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1c(Cl)cccc1[N+](=O)[O-] 471291260 DCVCLVMHRBOSSB-UHFFFAOYSA-N 448.781 4.310 5 20 IIBD COCCOc1ccc(C(=O)Nc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)c(Cl)c1 472512996 CJZRNUDKQKFSBQ-UHFFFAOYSA-N 430.848 4.020 5 20 IIBD O=C(NC1(Cc2ccccc2)CCC1)c1ccc([N+](=O)[O-])cc1I 472975942 GKDMWPRZVUTROG-UHFFFAOYSA-N 436.249 4.095 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 473494348 GZHGNIBROOBSGT-SANMLTNESA-N 448.567 4.323 5 20 IIBD CCOC[C@@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(C)C 475888357 ZDBHLHSDVWSHCN-JOCHJYFZSA-N 436.512 4.167 5 20 IIBD CCN(CC1CCC1)C(=O)c1ccccc1NS(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 478286466 DEIBTKRHJXQZRN-UHFFFAOYSA-N 445.541 4.275 5 20 IIBD O=[N+]([O-])c1ccn(CCSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2F)n1 481245239 FXVTWXYIYYZVIH-UHFFFAOYSA-N 428.424 4.110 5 20 IIBD CCc1c(NC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)cnn1-c1cccc(Cl)c1 485338018 XUZCZQXLFZUCCV-UHFFFAOYSA-N 429.864 4.327 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NCc1nc(Cc2cccc(Br)c2)no1 486106029 VAENLRWILGBDJR-UHFFFAOYSA-N 433.262 4.342 5 20 IIBD Cc1cnn(-c2ccncc2NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 486346426 NISDEZOCCQRFBW-UHFFFAOYSA-N 429.436 4.315 5 20 IIBD CCCOc1ccc(-c2nc(C(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)cs2)cc1 487019019 COKJWUKXXHYNOZ-UHFFFAOYSA-N 441.513 4.181 5 20 IIBD CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] 487840163 KTFVTWUKDKTMJU-UHFFFAOYSA-N 434.290 4.075 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NC[C@H]3SCCc4ccccc43)cc2)c(C)c1[N+](=O)[O-] 487871063 IJOCJBUPMCYYDB-OAQYLSRUSA-N 436.537 4.217 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(n2ccc(C(F)(F)F)n2)CC1 488346915 NECDPBBYVQOTSR-UHFFFAOYSA-N 445.829 4.053 5 20 IIBD CCn1c(S[C@H](C(=O)N2CCC[C@H](C)C2)C(C)C)nnc1-c1ccc([N+](=O)[O-])cc1 489410938 VGLSGTYDCNFTSS-YJBOKZPZSA-N 431.562 4.248 5 20 IIBD O=[N+]([O-])c1cn(C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)nc1C1CC1 489418677 OONMHXUMVCXFOH-IBGZPJMESA-N 429.423 4.114 5 20 IIBD CCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@@H](c1cccnc1)c1ccc(F)cc1F 489454978 WNMMEBYDDQSUNF-FQEVSTJZSA-N 441.390 4.248 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N(C)[C@@H](c3ccccc3)c3ncc[nH]3)cc2)c(C)c1[N+](=O)[O-] 492631790 SYFWBWBMFFWMAX-QFIPXVFZSA-N 444.495 4.041 5 20 IIBD Cc1ccc(CO)cc1NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 494792298 FEYDWBWOLPGAIB-UHFFFAOYSA-N 437.418 4.269 5 20 IIBD CN(C)C(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)ccc1F 495394191 CDPMTXRFLJPGAK-UHFFFAOYSA-N 436.443 4.300 5 20 IIBD COc1cc(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)ccc1[N+](=O)[O-] 501749375 JXDOCKSSELAXGF-UHFFFAOYSA-N 428.832 4.112 5 20 IIBD CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(=O)c1cc([N+](=O)[O-])c[nH]1 505354925 AYPWDRHMYKFULP-UHFFFAOYSA-N 432.786 4.084 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N(CCc1ccccn1)Cc1cccnc1 507426086 RHRXNSXAQABNOJ-UHFFFAOYSA-N 445.504 4.393 5 20 IIBD CCOc1cc(CN2CCC=C(F)C2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 508677348 KYYAXARBGZQJJA-UHFFFAOYSA-N 444.459 4.498 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CC[C@@H]1c1ccc(Cl)cc1 511238505 DMAMNVBGOYGQKQ-CYBMUJFWSA-N 431.695 4.146 5 20 IIBD COc1cc(C(=O)Nc2cc(-c3cc(F)cc(Br)c3)[nH]n2)ccc1[N+](=O)[O-] 512363988 XWUYQBMNJZDVAN-UHFFFAOYSA-N 435.209 4.147 5 20 IIBD CS(=O)(=O)c1ccc(F)c(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c1 514429302 NMSFINYUEJUISH-UHFFFAOYSA-N 430.413 4.182 5 20 IIBD O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 517559562 FWEQMGIERDLUAL-UHFFFAOYSA-N 432.465 4.040 5 20 IIBD CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 518706233 WTONESJPYXRHTE-UHFFFAOYSA-N 433.711 4.222 5 20 IIBD O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 518746207 MGUVQJFUYLOXCO-SFHVURJKSA-N 435.358 4.188 5 20 IIBD CCN(Cc1cccc(Br)c1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 520156478 LHPHIWWCPXJMSY-UHFFFAOYSA-N 433.711 4.222 5 20 IIBD O=C(Nc1cccc(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)c1)c1ccccc1 522050214 CERVQFNXDRJUCP-UHFFFAOYSA-N 428.404 4.353 5 20 IIBD CCOCc1cccc(NC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])c1 522553601 FQHMYRFLCPWMGS-UHFFFAOYSA-N 443.481 4.428 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCCc2csc3ccccc23)ccc1[N+](=O)[O-] 523275626 FIEWJSMXEUXJPH-HXUWFJFHSA-N 437.521 4.081 5 20 IIBD C[C@H](NC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 523746059 RZVUFSKTLABYMY-GMVOTWDCSA-N 449.429 4.401 5 20 IIBD COc1ccc([C@H]2CCCCCN2C(=O)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)cc1 524115603 XEOXOZIJJAMBFH-OAQYLSRUSA-N 435.484 4.006 5 20 IIBD C[C@H](NC(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 534234915 LGHXAVUXRBGASG-RISOHXOYSA-N 434.899 4.441 5 20 IIBD Cc1ccc(NC(=O)C(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)cc1[N+](=O)[O-] 536986994 MXCSFBSBNHZRSQ-UHFFFAOYSA-N 435.402 4.267 5 20 IIBD O=C(Nc1ccc(-n2ncc3ccccc32)cc1)c1cc([N+](=O)[O-])ccc1SCCO 540518367 TZNPRCVPDNBXAI-UHFFFAOYSA-N 434.477 4.270 5 20 IIBD CS[C@@H]1C(=O)Nc2ccc(-c3noc(-c4cc(Br)cc([N+](=O)[O-])c4)n3)cc21 544933077 MXVGPQXTFOVLSI-AWEZNQCLSA-N 447.270 4.431 5 20 IIBD COc1cc(OCc2nc(Cc3ccc(OCc4ccccn4)cc3)no2)ccc1[N+](=O)[O-] 544953847 FKPRIFIOULKVCR-UHFFFAOYSA-N 448.435 4.130 5 20 IIBD O=[N+]([O-])c1cc(I)cc(-c2nc(-c3ccc4ncccc4c3)no2)c1 545642069 JAAUJIDNDKNRGG-UHFFFAOYSA-N 444.188 4.465 5 20 IIBD CCO[C@@H]1C[C@H](NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)[C@@]12CCCO2 546057278 XATAECWPNUJDCT-VWPQPMDRSA-N 428.510 4.202 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 546068705 FORMMJRGSCRENG-AWEZNQCLSA-N 442.337 4.337 5 20 IIBD CN(Cc1ccccc1F)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCO1 550037637 KWWPPAJPVYHWDU-LJQANCHMSA-N 425.464 4.198 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCc1ccc(NC(=O)C(C)C)cc1 550197950 ROPRFFQPILNEOP-UHFFFAOYSA-N 434.290 4.190 5 20 IIBD O=C(NCCn1ccc2cc(Cl)ccc21)C1CCN(c2ccccc2[N+](=O)[O-])CC1 552260221 QLHXMXOIKKGGJE-UHFFFAOYSA-N 426.904 4.236 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(C)nc(N2CCCC2)n1 553665789 UXLKGNQASMKUFZ-UHFFFAOYSA-N 429.546 4.116 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccc(OCCCO)cc2)cc1[N+](=O)[O-])c1ccccn1 553695951 LDDVCKBKFZAFIP-MRXNPFEDSA-N 436.468 4.176 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1Sc1nnc2ccc(Br)cn12 555252696 VWBYRZWIHPLJPF-UHFFFAOYSA-N 430.081 4.314 5 20 IIBD CC(=O)c1cc(NCCC(=O)N(C)Cc2ccccc2Br)ccc1[N+](=O)[O-] 557574215 UVCDVFWASWNTGD-UHFFFAOYSA-N 434.290 4.021 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@@H](C)N2CCOCC2)cc1 559569938 MQZDQJYPHNIACO-CQSZACIVSA-N 448.317 4.311 5 20 IIBD COc1ccc([C@H](CN2CCCC2)NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 560699502 DMGLZKYIVIJTHY-IERDGZPVSA-N 429.542 4.037 5 20 IIBD CC(C)(NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(F)c(F)c1 561179076 YOTLKOFUAAIVRI-UHFFFAOYSA-N 428.233 4.099 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NC1CCN(Cc2cccnc2)CC1 561320925 RQCWNGNDWXOINP-UHFFFAOYSA-N 431.365 4.115 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(CC(=O)N[C@@H](C)c2ccc(OC)cc2)no1 565329487 FRXDSALOIUNTPP-DOTOQJQBSA-N 438.484 4.143 5 20 IIBD O=C(Nc1ccc(Oc2cccc(F)c2F)nc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 565336346 VVLVKXIJQYSIKH-UHFFFAOYSA-N 442.378 4.487 5 20 IIBD COc1cc(C)c(Br)cc1-c1nc(CCNc2ccccc2[N+](=O)[O-])no1 565504680 LEVYQVPXCKTFBC-UHFFFAOYSA-N 433.262 4.379 5 20 IIBD Cc1cccc([C@H]2CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3C[C@@H]3CCOC3)C2)c1 569331525 UJLKDNJXXIWNPK-RXVVDRJESA-N 433.512 4.192 5 20 IIBD CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 570857610 LUJBUSKOZBUENK-INIZCTEOSA-N 425.489 4.033 5 20 IIBD O=C(N[C@@H](c1noc(-c2ccc([N+](=O)[O-])cc2Br)n1)C1CC1)c1ccccc1 580676871 IUVDQYOZBRSZDK-MRXNPFEDSA-N 443.257 4.288 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1SC 582089398 DQXBDLMDQXGKIP-MAUKXSAKSA-N 434.489 4.457 5 20 IIBD COc1cc(C(=O)Nc2ccc(-c3cn4ccc(C)cc4n3)cc2)c([N+](=O)[O-])cc1OC 589274792 QFSIODRPQMLIBN-UHFFFAOYSA-N 432.436 4.487 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1SCC(F)(F)F 591760451 GNBPVGXNJCWLNN-NSHDSACASA-N 427.404 4.006 5 20 IIBD CC(C)C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCOCC1 593235819 VTAKQILQDNEFOU-IBGZPJMESA-N 443.569 4.223 5 20 IIBD O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 603451212 WLTFOTUBJIMNEK-QFIPXVFZSA-N 442.947 4.415 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ccc(Br)cc1 603737678 WGSJCCUAJHXYQI-OAHLLOKOSA-N 447.241 4.138 5 20 IIBD C[C@H](Nc1cccc(COCC(F)(F)C(F)F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 604045741 GGNZMEDODNPDNF-LBPRGKRZSA-N 429.370 4.451 5 20 IIBD CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2I)[C@H]1c1ccccc1 604567452 XNUDNABYWRQQJT-INIZCTEOSA-N 436.249 4.423 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1CCCN(c2cccc(F)c2)C1 604725974 IYVIALTZMAPUTG-LJQANCHMSA-N 429.495 4.079 5 20 IIBD Cc1ccccc1NC(=O)[C@@H]1CCc2ccccc2N1C(=O)COc1cccc([N+](=O)[O-])c1 608799997 ZFQLTULSWZNQOL-QHCPKHFHSA-N 445.475 4.269 5 20 IIBD Cc1ccc(NC(=O)[C@@H]2CCc3ccccc3N2C(=O)COc2ccccc2[N+](=O)[O-])cc1 608895387 SWWGKTNLRIPFLP-QFIPXVFZSA-N 445.475 4.269 5 20 IIBD CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 609730022 KWFBBBCXFPCPBZ-UHFFFAOYSA-N 442.903 4.498 5 20 IIBD CC(C)(C)C1CCC(c2cc(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)n[nH]2)CC1 609837126 FZRZBIABJHNKNE-UHFFFAOYSA-N 437.504 4.471 5 20 IIBD Cc1[nH]nc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1-c1cccc(Cl)c1 612623672 GWMQMUBQPFELPV-UHFFFAOYSA-N 427.269 4.401 5 20 IIBD CO[C@@]1(C(F)(F)F)CCCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C1 614869728 WKAJDLSXVGPFAW-IBGZPJMESA-N 429.439 4.015 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COc1cc(F)c(Cl)cc1Br 619461043 IPMVGOSFLNINFY-UHFFFAOYSA-N 433.617 4.176 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1 619491473 NRKOGEWLDNQTHA-UHFFFAOYSA-N 442.415 4.100 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](c1cccc2ccccc12)C(F)(F)F 619495825 DCQZIKYJNCGIMQ-SFHVURJKSA-N 440.399 4.339 5 20 IIBD COc1ccc(CN(CC(F)(F)F)C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1 727850239 SUGIQJDJXRNHFK-UHFFFAOYSA-N 427.335 4.025 5 20 IIBD CCOc1ccc(Br)cc1CN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 728880030 ANIMFBMQEDUKDC-UHFFFAOYSA-N 434.290 4.143 5 20 IIBD Cc1cccc(C(=O)NC[C@@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)c1[N+](=O)[O-] 728971913 LVAIGQAYSSKFFP-MRXNPFEDSA-N 436.308 4.102 5 20 IIBD O=C(NS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H](Sc1ccc(F)cc1)c1ccccc1 730394551 YFLLSBYSELXKSW-LJQANCHMSA-N 446.481 4.072 5 20 IIBD CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2cccc(F)c2F)NC(=O)N1CC1CC1 730765701 GPOAPWNXYOKFQU-FQEVSTJZSA-N 442.422 4.262 5 20 IIBD CC(C)(Oc1cccc(Cl)c1)C(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 733051764 OHOHZLFHRFYDMM-UHFFFAOYSA-N 433.892 4.260 5 20 IIBD O=C(Oc1cccc(NC(=O)c2cccs2)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 734118804 OTYAMXIOIBJFQA-UHFFFAOYSA-N 434.433 4.314 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCCc1ccc(Br)cc1 735301762 MVAURFKXHUWCLB-UHFFFAOYSA-N 435.246 4.008 5 20 IIBD Cc1ccc(NCCCNC(=O)Nc2ccc(N3CCSCC3)c(C)c2)c([N+](=O)[O-])c1 740443679 HGINIWKJLQLFFR-UHFFFAOYSA-N 443.573 4.389 5 20 IIBD COc1ccc(CN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c2ccncc2)cc1 741949867 DMNQGZQQXRSFRG-UHFFFAOYSA-N 436.424 4.370 5 20 IIBD CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])CC1 742001943 WZKZUNJLIHAEPI-SFHVURJKSA-N 425.382 4.060 5 20 IIBD COc1cc(Br)c(COC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1OC 744615466 SIYZZDNCZJKDEH-UHFFFAOYSA-N 449.257 4.073 5 20 IIBD C[C@H](OC(=O)CN(C)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1Oc1ccccc1 745619141 UHIBHPIOQBSUOX-KRWDZBQOSA-N 449.463 4.394 5 20 IIBD C[C@H](C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Br)s1 745640237 SFRSQHBXZPDUGH-VIFPVBQESA-N 438.259 4.316 5 20 IIBD Cc1c(CC(=O)O[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cccc1[N+](=O)[O-] 748473672 FXRPXSKBRWGIOQ-KRWDZBQOSA-N 425.485 4.006 5 20 IIBD O=[N+]([O-])c1ccn(CCSc2nnc(Nc3ccc(SC(F)F)cc3)s2)n1 748616235 ZGXMJFXTJQKQDI-UHFFFAOYSA-N 430.487 4.493 5 20 IIBD Cc1c(C(=O)NCc2cccc(COCc3ccco3)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748707745 BXVLWXZNEDPZPB-UHFFFAOYSA-N 439.424 4.360 5 20 IIBD O=C(COC(=O)c1cc(C2CC2)nc2ccc(Cl)cc12)Nc1ccccc1[N+](=O)[O-] 751724048 LTHLYIBZTLRXOB-UHFFFAOYSA-N 425.828 4.469 5 20 IIBD O=C(c1ccccc1)c1ccc(N2CCOC[C@H]2C[C@H](O)c2cccs2)c([N+](=O)[O-])c1 754023869 JINGAHBNVSVAFF-NQIIRXRSSA-N 438.505 4.216 5 20 IIBD Cc1nn(-c2ccccc2)c2nc(C(=O)OCc3nc4cc([N+](=O)[O-])ccc4o3)ccc12 754889800 HXGGETGZSZRMDK-UHFFFAOYSA-N 429.392 4.135 5 20 IIBD Cc1cc(C(=O)COC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c(C)n1Cc1ccco1 755066464 PWAHHJYOOOJOOG-CQSZACIVSA-N 428.416 4.323 5 20 IIBD COC[C@@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)c1cccc(C(F)(F)F)c1 757218798 BHSHCIRREWYYEI-MRXNPFEDSA-N 431.798 4.454 5 20 IIBD COc1ccc2c(c1)CN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@@H](c1ccccc1)C2 759468317 DERYLDZRNAKDHY-HSZRJFAPSA-N 436.439 4.448 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCCc2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-])c1ccccn1 759869236 BLVNGDFUXLTDKA-OAHLLOKOSA-N 435.440 4.044 5 20 IIBD C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@@H](c2ccsc2)O1 759967169 VLLKBJPFVMHWEC-OTYXRUKQSA-N 429.267 4.160 5 20 IIBD CC[C@@H](C)n1ncc(C(=O)OC2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)c1C1CC1 760995624 ZCGZXBVOXQQLRI-OAHLLOKOSA-N 442.516 4.474 5 20 IIBD COc1cc(Cc2noc(-c3csc(-c4cccc([N+](=O)[O-])c4)n3)n2)ccc1[N+](=O)[O-] 762307543 FOMPOZUNATYNFJ-UHFFFAOYSA-N 439.409 4.276 5 20 IIBD O=C(OCc1csc(Cc2ccccc2)n1)c1cc([N+](=O)[O-])ccc1SCCO 763748280 WPXLHFBNOMHWBU-UHFFFAOYSA-N 430.507 4.084 5 20 IIBD Cc1cc(Cl)ncc1NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 766242017 DWZOLDAVAVTIIQ-UHFFFAOYSA-N 443.813 4.325 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)O[C@H](C)C(=O)c2c[nH]c3ncccc23)CC1 767471958 LXZOWXXTKFLFNY-OAHLLOKOSA-N 436.468 4.136 5 20 IIBD COc1ccc(C(=O)COC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1Cl 770156435 OBOAQIIOLBMUPY-UHFFFAOYSA-N 428.622 4.059 5 20 IIBD CN1CCC(N(C)c2ccc(NCc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)cc2)CC1 770497367 WISKGMOJPOQAIX-UHFFFAOYSA-N 434.544 4.138 5 20 IIBD O=[N+]([O-])c1ccc(I)c(-c2nc(-c3c[nH]c4ccccc34)no2)c1 771198778 ZOXHGYGMLHIFIK-UHFFFAOYSA-N 432.177 4.398 5 20 IIBD CC(C)(c1ccccc1)[C@@H](OC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)C(F)(F)F 771365575 CGZKIANTYUTYFA-QGZVFWFLSA-N 445.415 4.064 5 20 IIBD O=C1OCc2ccc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3Sc3cccs3)cc21 771905605 QJPJAQWPVBWLAM-UHFFFAOYSA-N 448.503 4.279 5 20 IIBD CCc1cc(N2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 771931374 QCGOKBQLBDETPT-MAUKXSAKSA-N 441.532 4.496 5 20 IIBD COc1cc(C(=O)N2CCCC3(C2)OCCO3)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 772778798 UCJDMUZTELAJAX-UHFFFAOYSA-N 448.859 4.028 5 20 IIBD COC(=O)C(C)(C)[C@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 772870562 JWCZRRMJLKLDHT-JTQLQIEISA-N 447.713 4.062 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1 773424792 JZLPZVLFAJNWHH-JSGCOSHPSA-N 443.294 4.094 5 20 IIBD O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(=O)n(-c2cccc(F)c2)c1 773439670 KQBHIZFATNZESI-UHFFFAOYSA-N 447.216 4.004 5 20 IIBD Cc1nnc(COC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 773476100 FHABAFLBIDRVJS-UHFFFAOYSA-N 432.845 4.017 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](CCOC(=O)c2sc(Br)cc2[N+](=O)[O-])C1 774238645 YLYSCUPJZFVHBX-JTQLQIEISA-N 449.323 4.223 5 20 IIBD Cc1noc(C)c1CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 774719306 POVJQEYXEUNARP-UHFFFAOYSA-N 435.889 4.291 5 20 IIBD Cc1ccc2nc([C@@H]3CCCN(S(=O)(=O)c4cc([N+](=O)[O-])c(C)cc4Cl)C3)[nH]c2c1 775590314 LVEBFWFIZSXRIG-CQSZACIVSA-N 448.932 4.310 5 20 IIBD O=C(Cc1csc(-c2ccccn2)n1)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 776140316 WOILYEXPNCIOIZ-NRFANRHFSA-N 432.461 4.384 5 20 IIBD CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc1 777941697 DPQVXFPACWXLAR-AWEZNQCLSA-N 434.443 4.438 5 20 IIBD O=C(N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 778423674 WJMPHCYBYAKPFX-HNNXBMFYSA-N 433.459 4.259 5 20 IIBD COc1ccc(-c2ccc(CNC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 781651516 PAGFLCQXZLMAAV-UHFFFAOYSA-N 435.436 4.428 5 20 IIBD COc1ccc(C(=O)COC(=O)c2cccc([N+](=O)[O-])c2Br)cc1Cl 781676625 UJSUPWJQDPQFMX-UHFFFAOYSA-N 428.622 4.059 5 20 IIBD COC(=O)Nc1ccc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1F 783082653 YZEMGHTYYUZCFQ-UHFFFAOYSA-N 444.341 4.372 5 20 IIBD COc1ccc(-c2noc([C@H](C)OC(=O)c3ccc([N+](=O)[O-])cc3Br)n2)cc1 783764111 KKFHNNPNFWGPPC-JTQLQIEISA-N 448.229 4.334 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@H](C3(C)OCCO3)C2)c([N+](=O)[O-])c1 784573549 VPRGOJYGSLAZAY-UGKGYDQZSA-N 439.512 4.058 5 20 IIBD O=C(COC(=O)c1c(F)ccc(Br)c1F)Nc1cc([N+](=O)[O-])ccc1Cl 785190219 NDPRIZCQLPPOAP-UHFFFAOYSA-N 449.591 4.084 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 785964934 PXICMDKQGHKNJJ-UHFFFAOYSA-N 445.519 4.492 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCCc1cc(Br)ccc1F 790545297 BGAUGVUDSFOIJI-UHFFFAOYSA-N 433.636 4.190 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)c1nnnn1C1CC1 791928916 KMXCAAXFJKTQSD-LLVKDONJSA-N 444.904 4.212 5 20 IIBD C[C@@H](OC(=O)c1cc2c(C(F)F)nn(C)c2s1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 795718864 XABAMKTZGPDIEC-MRVPVSSYSA-N 449.395 4.449 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 796483713 IDUANSLZLRWZCD-GASCZTMLSA-N 435.546 4.034 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1OCCc1nc(-c2nc(Br)ccc2F)no1 798188802 YEOVOSWTZGGLSE-UHFFFAOYSA-N 443.616 4.216 5 20 IIBD Cc1ccccc1[C@H](OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1cccs1 802062019 XHLDMCLMRRFYRN-IBGZPJMESA-N 431.491 4.315 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(c2ccc(F)c(F)c2)CC1 802359748 TZUYYXWYSRPFHK-UHFFFAOYSA-N 443.454 4.162 5 20 IIBD COc1cc(Br)c(COC(=O)c2cc([N+](=O)[O-])cc(C)c2F)cc1OC 803460275 FZCFFRLYEKYOQI-UHFFFAOYSA-N 428.210 4.179 5 20 IIBD COc1cc(C(=O)O[C@@H]2CCOc3c(F)cc(F)cc32)c([N+](=O)[O-])cc1OC(F)F 806006857 SHYOHKQFCBJPJR-CYBMUJFWSA-N 431.294 4.164 5 20 IIBD CCOC(=O)c1cc(N2CCC([C@@H](O)c3ccc(OCC)cc3)CC2)ccc1[N+](=O)[O-] 812483358 ZEQZVMLELNQVOJ-QFIPXVFZSA-N 428.485 4.120 5 20 IIBD O=C(CC1CCCC1)N1CCCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 813444211 CTDXOORSYIFAOC-UHFFFAOYSA-N 428.316 4.156 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[C@@H](Cc2ccc(Br)cc2)C1 814375254 DDYRWGSVWRANRJ-HNNXBMFYSA-N 446.301 4.383 5 20 IIBD C[C@H](OC(=O)c1cccc(F)c1Br)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 814507274 RGYVBGOBKGKOAS-QMMMGPOBSA-N 445.628 4.334 5 20 IIBD C[C@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1ccc(N2CCOC2=O)cc1 817225038 CUYDCHXNFFYMGX-HNNXBMFYSA-N 432.436 4.104 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1)N1CCC[C@H](O)CC1 819324400 PISOOASKFONUTM-QFIPXVFZSA-N 437.540 4.041 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(-c3ccc(Cn4cnc5ccccc54)cc3)no2)cc2c1OCO2 904474430 QGPKKSAOYWPNIV-UHFFFAOYSA-N 441.403 4.439 5 20 IIBD CCCCN(C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)[C@@H](C)CC 914611509 CVDNNBRCYCEJCD-INIZCTEOSA-N 434.514 4.403 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2cc3c(cc2F)CCC(=O)N3)CC1 914747041 JNIACXAMOFMIAH-UHFFFAOYSA-N 426.448 4.107 5 20 IIBD CCOc1ccc([C@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c2ccccc2)cc1 918193669 IGPKGJHOZUFMJY-HXUWFJFHSA-N 430.457 4.201 5 20 IIBD Cc1cc(C)n(-c2ccc(CC(=O)O[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)n1 919182581 AGLAFZAPUOGZGR-MRXNPFEDSA-N 447.451 4.294 5 20 IIBD COc1ccc(S[C@@H](C)C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 919513688 WQQJLFLHHJGUSD-RYUDHWBXSA-N 438.889 4.308 5 20 IIBD CC(C)(C)c1ccc(N2CCC(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC2)cc1 919769281 ZCXCVVFZBTULMZ-UHFFFAOYSA-N 426.473 4.199 5 20 IIBD C[C@H](OC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)C(=O)NC1CCCCC1 920546228 WMKGQZZGLLENDO-CVEARBPZSA-N 440.500 4.157 5 20 IIBD COc1ccc(-c2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(OC)c3)ccc2OC)cc1 1116259543 IKEZRTGVTQRNGK-UHFFFAOYSA-N 444.465 4.088 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1ccc(F)cc1OC(F)F 1254159898 OJPSYIOVCZTCMM-NSHDSACASA-N 427.379 4.023 5 20 IIBD COc1cc(-c2nnc(C(=O)N3CCCC3)o2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 1348870001 BEBTWNZJPQIIBC-UHFFFAOYSA-N 444.831 4.335 5 20 IIBD COc1ccc(CC(=O)NC2(c3ccc(NC(=O)C4(C)CC4)cc3)CCC2)c([N+](=O)[O-])c1 1787601849 SBDNRVLGJDBSML-UHFFFAOYSA-N 437.496 4.080 5 20 IIBD CC1(C)CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc(O)c([N+](=O)[O-])c4)CCC3)cc2)C1 1791649665 GUIIEYDTELCWDD-UHFFFAOYSA-N 437.496 4.484 5 20 IIBD CC(C)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)CSc2ccccc2[N+](=O)[O-])[nH]n1 1816770016 QVLISKGDJFQPRT-MRXNPFEDSA-N 445.545 4.148 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCCCN2C(=O)CC2CCCC2)CC1 1826257912 FBPYVFFSEZXTDH-QHCPKHFHSA-N 441.572 4.337 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC2CC2)CC1 1830729051 HISVCXFAXKBQNU-HXUWFJFHSA-N 431.508 4.076 5 20 IIBD C/C=C/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 1831295272 ZKUQPWRDLHDFRQ-RXPBTDQBSA-N 443.519 4.028 5 20 IIBD CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1832903030 LCRNACMOUHDGIH-SGWGQVFISA-N 427.545 4.274 5 20 IIBD C[C@H](CC(=O)N1CC2(CCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1)c1ccccc1 1847058155 BHQZHQKFMYTISC-JXOMPUQVSA-N 433.508 4.005 5 20 IIBD CC[C@@H]1CCCCN1C(=O)COC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 5972769 ATEAZZHLBVDQCL-LJQANCHMSA-N 425.485 4.155 5 20 IIBD C[C@@H](OC(=O)c1ccccc1NCc1ccco1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 9023159 GKUKNCDJWJKTMU-CYBMUJFWSA-N 427.388 4.123 5 20 IIBD Cc1cc(C)cc(OCC(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 10588903 VWPDACJFFAHOKU-CYBMUJFWSA-N 440.374 4.180 5 20 IIBD Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)nnc1-c1cccs1 10709342 ZQZRTNPKFUVRQN-UHFFFAOYSA-N 443.432 4.201 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Cl)Nc1ccccc1C(=O)c1ccccc1 11028663 XSXZHBIZRLEXDW-UHFFFAOYSA-N 438.823 4.275 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 18018129 MRYJCSNGZMYCPR-GFCCVEGCSA-N 429.429 4.350 5 20 IIBD C[C@@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)N(C)Cc1cccc(F)c1 22254637 FIOVXOYGOQICDU-OAHLLOKOSA-N 435.524 4.365 5 20 IIBD O=C(Nc1ccc(OC[C@H](O)COc2ccc(Cl)cc2)cc1)c1cccc([N+](=O)[O-])c1 27214688 QPYQALYTQPFIGK-LJQANCHMSA-N 442.855 4.319 5 20 IIBD CNC(=O)c1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)cc1 31525119 PYJSQFLYZCNZDY-UHFFFAOYSA-N 449.463 4.028 5 20 IIBD C[C@H](Cn1ccnc1)NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 58297130 FTAVECFMWWKBRD-CYBMUJFWSA-N 439.522 4.371 5 20 IIBD O=C(NC1CC1)c1ccc(NCC2(c3ccccc3Cl)CCOCC2)c([N+](=O)[O-])c1 301175886 LVBHCOGFEZAYID-UHFFFAOYSA-N 429.904 4.301 5 20 IIBD O=c1c(Cl)c(N2CCC(c3ccc(F)cc3)CC2)cnn1-c1ccc([N+](=O)[O-])cc1 301536215 AQXZZKCJLZJOFA-UHFFFAOYSA-N 428.851 4.317 5 20 IIBD Cc1cccc([C@@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])c2ccccn2)c1 301907021 ZLISNHWDKYVCPW-LJQANCHMSA-N 433.436 4.496 5 20 IIBD CCCN1C(=O)CCc2cc(Nc3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])ccc21 301963640 UXHYWFLGTMEJIZ-UHFFFAOYSA-N 439.440 4.024 5 20 IIBD O=C(CNc1ccc(F)cc1OCCC(F)(F)F)N1CCc2cc([N+](=O)[O-])ccc21 409845865 SGCPRMKXGMVKOY-UHFFFAOYSA-N 427.354 4.066 5 20 IIBD COCCn1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)cn1 410298603 FCSNWPKCOFRFJF-UHFFFAOYSA-N 446.916 4.172 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC1CCN(C2CCCCC2)CC1 426015278 GUGSGRFMFJNUER-UHFFFAOYSA-N 428.455 4.210 5 20 IIBD CC(C)Oc1ccc(Cl)cc1NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 426745180 ZJCKJRGUIAABJU-UHFFFAOYSA-N 426.256 4.057 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)Nc1ccc2c3c(cccc13)CC2 427876902 RWHXKABBGPTWFI-UHFFFAOYSA-N 443.381 4.120 5 20 IIBD COC(=O)c1ccc(N2CCCC2)c(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 431057536 IMRGGQZCURSYLN-UHFFFAOYSA-N 426.473 4.038 5 20 IIBD Cc1c(NC(=O)[C@@H](C)N2CCC3(CCN(Cc4ccccc4)CC3)C2)cccc1[N+](=O)[O-] 433046290 UDUZHOIDQZHIHQ-HXUWFJFHSA-N 436.556 4.218 5 20 IIBD Cc1c(C(=O)Nc2ccc(Sc3ccncc3)cc2)nnn1-c1cccc([N+](=O)[O-])c1 435377265 ZRULSTCQGBWOSG-UHFFFAOYSA-N 432.465 4.282 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(N3CCCC3=O)cn2)cc1 435687887 JSPHNSFBTGSXJC-UHFFFAOYSA-N 448.435 4.170 5 20 IIBD CCOc1ccc(NC(=O)CN2CCC[C@@H]2c2nc3ccccc3n2CC)c([N+](=O)[O-])c1 437649840 JOWFEOLRSBBHJZ-HXUWFJFHSA-N 437.500 4.139 5 20 IIBD COc1cc(OC)c2cc(CCCNc3ccc(C(=O)NC(C)C)cc3[N+](=O)[O-])[nH]c2c1 441813162 LUIFMTWZTTUFHE-UHFFFAOYSA-N 440.500 4.276 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2c(F)cc(Br)cc2F)cc1OC 443875753 DXGOOKRIOXUNHB-UHFFFAOYSA-N 431.189 4.295 5 20 IIBD C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444288983 MHASANIPCHMYOM-OAHLLOKOSA-N 435.474 4.210 5 20 IIBD O=C(Cc1noc(-c2ccc(NC3CC3)c([N+](=O)[O-])c2)n1)Nc1ccccc1C(F)(F)F 445424298 SGUPTDLJKKGDQG-UHFFFAOYSA-N 447.373 4.419 5 20 IIBD CS(=O)(=O)[C@H]1CCCCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 446849372 XQESLVRONBNCGS-SFHVURJKSA-N 438.933 4.440 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)c(C(F)(F)F)c1 447016508 KFSRWIVIYOQXLN-CQSZACIVSA-N 432.395 4.149 5 20 IIBD O=c1c2cc(Br)cc(F)c2ncn1Cc1ccc([N+](=O)[O-])cc1C(F)(F)F 448103806 XDJFFULOUVRHKL-UHFFFAOYSA-N 446.154 4.273 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)sc1Br 462363674 ZKPNCLFEAUJODL-UHFFFAOYSA-N 428.289 4.076 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@](CO)(c3ccccc3)C2)cc1OC 463364227 CRHZFQDJWZKYEH-MHECFPHRSA-N 428.529 4.164 5 20 IIBD CCNc1ccc(C(=O)N(CCCOc2ccccc2)C2CCOCC2)cc1[N+](=O)[O-] 464178220 CLVXATYFSLEXTI-UHFFFAOYSA-N 427.501 4.117 5 20 IIBD CCN(CC)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)C1 464652377 VYULEJHVOXAPAG-KRWDZBQOSA-N 427.501 4.200 5 20 IIBD Cc1c([N+](=O)[O-])cn(Cc2ccc(Br)c(Cl)c2)c(=O)c1Br 468490092 VIWQHCIUNGTKJW-UHFFFAOYSA-N 436.487 4.292 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N(CCC(F)(F)F)CC(F)(F)F 468547167 HTIQDBRKERRMET-UHFFFAOYSA-N 429.136 4.376 5 20 IIBD COc1cccc(C(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)c1[N+](=O)[O-] 468580057 GCHSHLZDXGNVSP-OAHLLOKOSA-N 434.290 4.083 5 20 IIBD CN(C)[C@@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1c(F)cccc1Cl 470520717 UICVNKLPIUVZKL-HXUWFJFHSA-N 435.883 4.060 5 20 IIBD COCCC1(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CCCC1 471856770 MTUPUXDGKSJBEL-KRWDZBQOSA-N 426.517 4.490 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCOc3ccc(C(F)(F)F)cc32)cc1OC 472860061 AIPWZTDWOAEINC-UHFFFAOYSA-N 426.347 4.060 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCC2(CCO)CCCC2)cc1[N+](=O)[O-] 473574249 KEVDRCWKZKQFTI-UHFFFAOYSA-N 442.537 4.220 5 20 IIBD COc1cc(C(=O)N2CCCC[C@@H]2[C@@H](C)O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 476208064 UWLBGECEGSXJRE-CZUORRHYSA-N 434.876 4.425 5 20 IIBD O=C(NCC(=O)N1CCC(c2ccc(Cl)cc2)CC1)c1c(Cl)cccc1[N+](=O)[O-] 477813266 USKKMPYKKOSIDE-UHFFFAOYSA-N 436.295 4.038 5 20 IIBD CS(=O)(=O)c1cccc([C@H](NCc2ccc([N+](=O)[O-])cc2F)c2ccc(F)cc2)c1 478253898 JABLKWKRNAGWDC-OAQYLSRUSA-N 432.448 4.156 5 20 IIBD O=C(NCc1ccccc1CN1CCC(O)CC1)c1cc2ccccc2c2cccnc12 479991973 MDURVTGBRNTNCW-UHFFFAOYSA-N 425.532 4.275 5 20 IIBD C[C@H](NCc1cccnc1N1CCN(C)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 481240339 HTWHFTUHUVYZMH-KRWDZBQOSA-N 437.569 4.321 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc(Cl)c1F 481589418 SQGURRLCOYSKJP-UHFFFAOYSA-N 431.601 4.189 5 20 IIBD CC(C)[C@@H]1CC[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@H](Cc2ccc(Cl)cc2)C1 482330629 DYPJQPDKMUNDEE-QWFCFKBJSA-N 445.947 4.210 5 20 IIBD COCc1c(Br)cccc1NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] 483643050 NYMRROKAVISIKY-UHFFFAOYSA-N 441.303 4.487 5 20 IIBD CC(=O)c1ccc(NC[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c([N+](=O)[O-])c1 484159066 DBXXDLYMYALLQY-HXUWFJFHSA-N 437.418 4.302 5 20 IIBD O=C(Nc1cc(C(F)(F)F)ccc1Br)c1cc2c(c([N+](=O)[O-])c1)OCO2 484802466 KRLNXGYCQHBXMU-UHFFFAOYSA-N 433.136 4.357 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 485365369 VYJSDOBVZKTVAJ-SFHVURJKSA-N 444.488 4.472 5 20 IIBD COc1cc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])ccc1Br 486173205 IPMWWAFDMYLYQM-UHFFFAOYSA-N 436.081 4.442 5 20 IIBD CCCN(C(=O)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C)[C@H](CC)c1ccccc1 487846999 YZRIEZZNVFEJQY-LJQANCHMSA-N 441.484 4.018 5 20 IIBD C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 488472483 YQBKBQFZMMXEDO-RDPSFJRHSA-N 439.559 4.182 5 20 IIBD CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 489133789 WMPRBNREVFFTGO-OAHLLOKOSA-N 443.500 4.108 5 20 IIBD CCOC(=O)C(C)(C)c1csc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])n1 493061929 YMVZXJNYEIILPB-UHFFFAOYSA-N 440.481 4.206 5 20 IIBD CCc1ccc([C@@H](NCCc2cccc([N+](=O)[O-])c2)c2cccc(S(C)(=O)=O)c2)cc1 495005508 CEFGQECDXTTZMD-XMMPIXPASA-N 438.549 4.482 5 20 IIBD O=C(c1csc(I)c1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 498149279 HJFWHWSLOHCTEC-AWEZNQCLSA-N 446.291 4.149 5 20 IIBD O=C(NC1(Cc2ccc(F)cc2)CCOCC1)c1cc(Br)cc([N+](=O)[O-])c1 499291072 LFHNNEOXGOYSRY-UHFFFAOYSA-N 437.265 4.018 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 502053726 RESDFKGRRJCMQQ-NRFANRHFSA-N 435.484 4.062 5 20 IIBD COc1cc(C(=O)Nc2cccc(Cl)c2-n2cccn2)c([N+](=O)[O-])cc1OC(F)F 502920877 UGALPFLYKWVGJN-UHFFFAOYSA-N 438.774 4.296 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@@H](C)[C@@H]2CCCOC2)c([N+](=O)[O-])c1 503297779 ZXIGUGYCNIUNIG-DLBZAZTESA-N 433.530 4.037 5 20 IIBD Cc1cc(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nn1CCCOc1ccc(F)cc1 504401517 OWSCSFHSKHJNCA-INIZCTEOSA-N 441.463 4.147 5 20 IIBD CC(C)c1cc(C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)on1 504723606 PDGHKFQYQQBHHY-UHFFFAOYSA-N 440.525 4.393 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N[C@@H](CC1CCCC1)c1ccccc1 505269321 VBIQMWJVWXHWBX-SFHVURJKSA-N 429.904 4.416 5 20 IIBD O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 505787089 KHHPPJKBBPWVEH-KRWDZBQOSA-N 438.267 4.241 5 20 IIBD CCOC(=O)CN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H](C)c1cccc(Br)c1 508314888 GXNLVLNGPYGOJT-AWEZNQCLSA-N 449.301 4.053 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2CCCC[C@H]21 509026470 LAOUORQDIQOMCN-MLGOLLRUSA-N 428.270 4.303 5 20 IIBD C[C@H](NC(=O)CC1CCCCC1)C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 509291084 YKVGZNHKQVQRSP-AWEZNQCLSA-N 430.530 4.156 5 20 IIBD O=C(Nc1nc2c(s1)CCCCC2)c1ccc([N+](=O)[O-])cc1I 510916562 YYMTVELVSYVKNV-UHFFFAOYSA-N 443.266 4.177 5 20 IIBD Cc1nnnn1-c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)c1 512561928 ZCVPCXSLQWNEFI-UHFFFAOYSA-N 432.465 4.282 5 20 IIBD Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 513718288 KRDHGNLZRAUCRL-OAHLLOKOSA-N 445.566 4.212 5 20 IIBD COC(=O)c1ccc(-c2csc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)n2)cc1 515325611 YKFJWMARDBKWIC-UHFFFAOYSA-N 429.479 4.236 5 20 IIBD Cc1ccc(CCC2CCN(C(=O)CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 518655775 ZIGOBEJKJUBDOM-UHFFFAOYSA-N 443.931 4.158 5 20 IIBD COc1cc(C(=O)N2CC[C@@](F)(c3ccccc3F)C2)c([N+](=O)[O-])cc1OC(F)F 519187065 JZYXAQYNQFJDCF-IBGZPJMESA-N 428.338 4.055 5 20 IIBD O=C(Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1cc(Cl)cc([N+](=O)[O-])c1 522876967 MNRJACZPIBDZCX-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD COC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(OCC(F)(F)F)c1 524125948 RLHYLHMYNMMYKQ-UHFFFAOYSA-N 432.738 4.228 5 20 IIBD COCCOC1CCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 524206653 HHPVIGQKMUOHLR-NRFANRHFSA-N 447.919 4.055 5 20 IIBD CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 524212025 BHDQWKBKEJYCCV-QFIPXVFZSA-N 448.523 4.051 5 20 IIBD COc1cc(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)cc([N+](=O)[O-])c1OC 525557881 IXPSJOSNDWRJRN-UHFFFAOYSA-N 434.298 4.067 5 20 IIBD CC(=O)Nc1ccc(-c2csc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)n2)cc1 534679155 JEUFIQSLPLJBRE-UHFFFAOYSA-N 435.465 4.339 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 534781534 MKZWRONNAKYFIK-MRXNPFEDSA-N 446.328 4.429 5 20 IIBD CO[C@H]1CCCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)C1 535760177 ABNDINRVHUFKIO-LPHOPBHVSA-N 448.317 4.148 5 20 IIBD Cc1c(Br)cc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] 537246188 CIOGKDVQKMRCSL-NVXWUHKLSA-N 441.228 4.204 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 537474079 LAIRTPFYMGZISM-HDICACEKSA-N 449.617 4.448 5 20 IIBD COC(=O)CCc1c(C)nn(-c2ccc(C(=O)Nc3ccc([N+](=O)[O-])c(C)c3)cc2)c1C 538552904 UBEIYKMDFVXWPO-UHFFFAOYSA-N 436.468 4.064 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CCN(CCc2ccccc2)C1 543288775 SEUGLGPPZMLMCW-QGZVFWFLSA-N 433.961 4.021 5 20 IIBD CN(Cc1nccn1Cc1ccccc1)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 544053242 SACHIYHSLJOPJE-UHFFFAOYSA-N 430.917 4.244 5 20 IIBD Cc1sc2nc(Cc3noc(C(F)(F)c4ccc([N+](=O)[O-])cc4)n3)nc(O)c2c1C 545538751 LJYZEQMNZQSEMN-UHFFFAOYSA-N 433.396 4.036 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3ccc(OCC(F)F)nc3)n2)c(Br)c1 545736665 XFGZQYYDFLOZTN-UHFFFAOYSA-N 441.188 4.037 5 20 IIBD CC(C)(C)Cc1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1C[C@@H]1CCCO1 549909542 BNLAPFJHTBNEIG-FQEVSTJZSA-N 443.548 4.002 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1 551488207 JRNLPKDFJCZMSA-SFHVURJKSA-N 444.431 4.060 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H]1c2ccccc2CC12CCOCC2 554977056 KEQBGIXHDWDXRD-GOSISDBHSA-N 433.411 4.412 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 556451154 NNPFXMIMBQAHIP-KDOFPFPSSA-N 437.265 4.455 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC2(CC1)OCCc1ccsc12 558878457 RVESWYIKRBCSOJ-UHFFFAOYSA-N 425.514 4.003 5 20 IIBD O=c1c2ccccc2[nH]c2ccc(-c3nc(-c4ccccc4CN4CCOCC4)no3)cc12 571323057 GSVCKAQKHJTHGQ-UHFFFAOYSA-N 438.487 4.231 5 20 IIBD C[C@H](NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(-c2ccncc2)cc1 571594199 NNGBKLJORFBUMG-KRWDZBQOSA-N 444.491 4.025 5 20 IIBD O=C(NCc1cccc(OCc2ccccc2)c1)c1cc([N+](=O)[O-])ccc1SCCO 578566070 AAGNHZKHVXGNSM-UHFFFAOYSA-N 438.505 4.188 5 20 IIBD Cc1sc2ncnc(SCCC(=O)N(C)CCc3ccccc3[N+](=O)[O-])c2c1C 580666290 KMRAVDWCHXMKDD-UHFFFAOYSA-N 430.555 4.400 5 20 IIBD Cc1cc(=NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c[nH]1 581479778 BBQVQSLZYLPYGY-UHFFFAOYSA-N 427.464 4.062 5 20 IIBD CC(C)(C1=CCCCC1)c1noc([C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 581633911 OJMZHRXTJUMAOO-GOSISDBHSA-N 446.529 4.282 5 20 IIBD COc1cc(C(=O)Nc2c(-c3ccc(Br)cc3)nc(C)n2C)ccc1[N+](=O)[O-] 582332267 CGNSJODVCGCVDD-UHFFFAOYSA-N 445.273 4.327 5 20 IIBD O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 583731396 PXUIBPACTWRJBK-UHFFFAOYSA-N 434.273 4.239 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)c1 583919360 KMCKJJWIQQZQMT-UHFFFAOYSA-N 426.448 4.228 5 20 IIBD CN(Cc1nnc2n1CCCCC2)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 603640669 WAIPYMOGAMYNCN-UHFFFAOYSA-N 437.525 4.336 5 20 IIBD O=C(CCCOc1ccccc1)Nc1ccc(CNC(=O)c2ccccc2[N+](=O)[O-])cc1 603761323 ATUQNMBORHQZFC-UHFFFAOYSA-N 433.464 4.323 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 604152743 CWOSCKVZRHZSNZ-CQSZACIVSA-N 426.860 4.074 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 604262396 BIKKWXXYBPAECP-RYUDHWBXSA-N 427.345 4.376 5 20 IIBD Cc1ccc(CN2C(=O)c3ccccc3N[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 604435082 FTDSEACFBKHNDL-QHCPKHFHSA-N 431.448 4.441 5 20 IIBD O=C(Nc1cc(-c2ccoc2)nn1-c1ccccc1)c1cc([N+](=O)[O-])cc2c1OCCO2 608942533 HTDADVKSFFDYHT-UHFFFAOYSA-N 432.392 4.064 5 20 IIBD COc1ccc(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1[N+](=O)[O-] 609015664 FDQLIZRIFZMYDJ-UHFFFAOYSA-N 445.519 4.080 5 20 IIBD O=C(COC[C@H]1CCOC1)Nc1cc([N+](=O)[O-])ccc1Nc1cccc(C(F)(F)F)c1 609784100 XIDICMZVVASTSU-ZDUSSCGKSA-N 439.390 4.349 5 20 IIBD Cc1cnn(CCC(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)c1 609791648 JETUFEDAGOIULW-UHFFFAOYSA-N 432.839 4.391 5 20 IIBD O=C(c1ccn(-c2cccc(Br)c2)n1)N1CCCc2ccc([N+](=O)[O-])cc21 609860750 MUTMQWIXFWPFMP-UHFFFAOYSA-N 427.258 4.136 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(N2CCC(c3ccccc3F)CC2)c([N+](=O)[O-])c1 609894009 IZARSWQTGNOOTN-UHFFFAOYSA-N 435.521 4.148 5 20 IIBD O=[N+]([O-])c1c[nH]cc(Br)c1=N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 611227039 XBGGSQUEXCCBMP-JIGDXULJSA-N 436.150 4.496 5 20 IIBD CN1CCC[C@@H](N2CCN(Cc3ccc(Oc4ccccc4Cl)c([N+](=O)[O-])c3)CC2)C1 611270726 MUAJEXBVJGBYBJ-LJQANCHMSA-N 444.963 4.252 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OCc2ccccc2Br)ccc1[N+](=O)[O-] 726677025 YYIOQNHSDGFKFT-GOSISDBHSA-N 447.285 4.014 5 20 IIBD C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 727220935 YHUBMYZGLYNDQX-JTQLQIEISA-N 438.223 4.462 5 20 IIBD O=C(Oc1ccc(O[C@@H]2CCCCNC2=O)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 727636680 WYQSPZPPCYYRCL-QGZVFWFLSA-N 426.450 4.076 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1SC 728466071 DEODGTYNMBCMAD-STQMWFEESA-N 449.504 4.330 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2c(Cl)nc3sccn23)c(Cc2ccccc2)c1 728579038 HDRXXUSVINTNIJ-UHFFFAOYSA-N 449.897 4.316 5 20 IIBD O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)[C@@H](OC1CCCC1)c1ccccc1 729195689 SGFVCLJYXFXOJN-QFIPXVFZSA-N 439.512 4.450 5 20 IIBD C[C@H](OC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccccc1[N+](=O)[O-] 729782320 ZCXMTOJSVHHVER-LBPRGKRZSA-N 429.816 4.016 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1nc(-c2ccccc2)cs1 730085830 OAZYBPXANRXSOD-OAHLLOKOSA-N 439.493 4.473 5 20 IIBD Cc1c(C(=O)NCc2ccc(-c3nc4ccccc4[nH]3)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 731225602 IBLLDBSAEWRNBC-UHFFFAOYSA-N 431.408 4.285 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1Sc1ncc(-c2ccc(F)cc2)[nH]1 731918478 NYPSAWAYJGMXKK-UHFFFAOYSA-N 429.401 4.272 5 20 IIBD CC1=C(C(=O)OCC(C)C)[C@H](c2ccccc2[N+](=O)[O-])NC(=O)N1Cc1cccs1 732018794 YRDCWCWWCABHHK-IBGZPJMESA-N 429.498 4.396 5 20 IIBD Cc1cc(S(=O)(=O)Oc2ccc3c(=O)c(-c4ccccc4)coc3c2)ccc1[N+](=O)[O-] 734492332 FESMUSBGCDYUGZ-UHFFFAOYSA-N 437.429 4.444 5 20 IIBD CC(C)OC(=O)NCc1ccc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1 735020556 ZGIPZGUVQCPDOO-UHFFFAOYSA-N 435.864 4.290 5 20 IIBD C[C@H](COc1ccccc1)NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 736004723 QGKARCVEINSFFC-GFCCVEGCSA-N 435.267 4.285 5 20 IIBD O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])CC1 741931925 LUTVZKIQZVGZMS-UHFFFAOYSA-N 428.313 4.025 5 20 IIBD Cc1cc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n(-c2ccc([N+](=O)[O-])cc2)n1 742620359 BDXYIVXUIAGQHL-UHFFFAOYSA-N 435.318 4.268 5 20 IIBD CC(C)(C)c1cnc(NC(=O)c2cc([N+](=O)[O-])ccc2I)s1 742805879 GOYGTNTYNWUKFN-UHFFFAOYSA-N 431.255 4.206 5 20 IIBD O=[N+]([O-])c1cc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])ccc1Cl 743251956 HHTBRSGBMNTXQV-UHFFFAOYSA-N 426.621 4.264 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(=O)Nc1c(F)cccc1F 744554948 ZJDRURQSERANMC-ZDUSSCGKSA-N 433.411 4.047 5 20 IIBD O=C(O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 747250107 BZNKSFGYNWIROZ-KBPBESRZSA-N 428.323 4.059 5 20 IIBD O=C(Nc1ccn(Cc2ccccn2)n1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 748686223 DISWVPWAALEQQJ-UHFFFAOYSA-N 428.452 4.099 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)O[C@H](c1cccc(Cl)c1)C(F)(F)F 750215807 HGPKGOZJJWEPAB-OAHLLOKOSA-N 430.722 4.003 5 20 IIBD Cc1ccc(Cl)c(O[C@@H](C)C(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)c1 750433109 DPCBDALDRWVYLO-HNNXBMFYSA-N 433.892 4.179 5 20 IIBD CCCc1c(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cnn1C1CCCC1 751846986 ZPEUWOIPVAZANQ-HNNXBMFYSA-N 428.489 4.351 5 20 IIBD O=C(OCc1nc(-c2cccc(Br)c2)no1)c1c(F)ccc([N+](=O)[O-])c1F 752559283 PEOWJNULRCUWGK-UHFFFAOYSA-N 440.156 4.043 5 20 IIBD Cc1ccc(C(=O)O[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)nc1 753484865 GYYCBDKBRJZDOA-IBGZPJMESA-N 425.828 4.488 5 20 IIBD COc1cc(C(=O)Nc2cccc3c2CCN3C(=O)OC(C)(C)C)c([N+](=O)[O-])cc1OC 753775314 CCQUKQPPPJTEPH-UHFFFAOYSA-N 443.456 4.162 5 20 IIBD CC(C)CC(=O)Nc1ccc(C(=O)COC(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cc1 754986057 KFRUXFWQARUOOR-UHFFFAOYSA-N 436.823 4.412 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N(CCO)[C@H]1CCCc2ccccc21 755026685 WBWPKNFEWAMEIJ-KRWDZBQOSA-N 434.290 4.261 5 20 IIBD COc1cccc(OC)c1CC(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 756906780 AVJGIFPLVMGBQU-UHFFFAOYSA-N 436.420 4.012 5 20 IIBD CC[C@@H]1CN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC[C@H]1NC(=O)OC(C)(C)C 757340681 YDSBECQIUXJJNU-IIDMSEBBSA-N 437.562 4.227 5 20 IIBD COc1ccccc1C(=O)Nc1ccc(OC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 758156838 SARJIEBMVSJOAD-UHFFFAOYSA-N 445.431 4.485 5 20 IIBD C[C@@H](OC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1)c1ccccc1[N+](=O)[O-] 759270724 RUMWZJYEVRWMFQ-CYBMUJFWSA-N 432.479 4.375 5 20 IIBD Cc1cc(S(=O)(=O)N(Cc2cccnc2)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1F 759773555 DHWCPKBAGAXXNH-UHFFFAOYSA-N 435.864 4.486 5 20 IIBD CCCOc1cc(F)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1I 760120983 PODXMTBVEGADOO-UHFFFAOYSA-N 444.200 4.380 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC[C@H](O)c1cccc(OCc2ccccc2)c1 760490601 DNSMBIFANJKGPS-QHCPKHFHSA-N 449.463 4.276 5 20 IIBD CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)CC2 760844337 OQASGAVZNASVOS-HKUYNNGSSA-N 428.489 4.224 5 20 IIBD O=[N+]([O-])c1ccc(CCc2nc(-c3cccnc3OC3CCCC3)no2)c([N+](=O)[O-])c1 761688674 VSPAQWKZVJVELQ-UHFFFAOYSA-N 425.401 4.055 5 20 IIBD C[C@@H]1CCCN1C(=O)c1ccc(-c2noc([C@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)n2)cc1 762310607 XTCDPICFKDHNGB-JLTOFOAXSA-N 447.451 4.135 5 20 IIBD Cc1nc2ccc(C(=O)OCC(=O)Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2s1 763512390 RWJBYQLPQIVGHO-UHFFFAOYSA-N 439.371 4.327 5 20 IIBD CCn1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)nc2cc(Br)ccc21 768910629 SUZOJLFRUUGVNG-UHFFFAOYSA-N 448.233 4.196 5 20 IIBD CC(C)[C@@H](OC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)Nc1ccccc1F 770158067 VXSFSOOYEOHMEG-MRXNPFEDSA-N 439.237 4.317 5 20 IIBD O=C(COC(=O)CCCc1cccc(C(F)(F)F)c1)Nc1cc([N+](=O)[O-])ccc1F 770425289 FOAZDPXDWMDVLT-UHFFFAOYSA-N 428.338 4.257 5 20 IIBD C[C@@H](OC(=O)c1ccc(-c2csc(N)n2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 775884794 WXZLWHODUSKGDV-SNVBAGLBSA-N 446.872 4.138 5 20 IIBD CSc1cccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2Br)c1[N+](=O)[O-] 777073914 NJSSRBRDUSVZTL-SNVBAGLBSA-N 439.287 4.263 5 20 IIBD Cc1ncsc1/C=C/C(=O)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 777235616 AXLWWRTZMHGBDV-IJDCCNJMSA-N 429.498 4.001 5 20 IIBD COC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)c2cc3ccccc3s2)cc1[N+](=O)[O-] 777937924 RPFDXEDNLNRZJN-LLVKDONJSA-N 435.483 4.027 5 20 IIBD Cc1ccccc1CN(Cc1cccnc1)S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C 777975907 LIXUJGYIWLDGEN-UHFFFAOYSA-N 429.473 4.137 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C1CCN(C(=O)OCC)CC1 778070137 HTSWERJUDXKYQE-HNNXBMFYSA-N 437.562 4.474 5 20 IIBD Cc1nc(COc2ccccc2C(=O)O[C@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)cs1 778789322 YAPVXZJUIAXOIF-IBGZPJMESA-N 439.493 4.374 5 20 IIBD CC(C)c1ccc(C(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1[N+](=O)[O-] 784501401 RWMGNIYCSBZJDI-UHFFFAOYSA-N 428.445 4.095 5 20 IIBD O=[N+]([O-])c1ccc(-c2cnn(CN3CCC(COc4ccc(Cl)nc4)CC3)c2)cc1 788365550 ISUSAFKPOAHBPC-UHFFFAOYSA-N 427.892 4.255 5 20 IIBD CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790840935 BSZUPWCWJHGKCD-UHFFFAOYSA-N 428.247 4.360 5 20 IIBD CN(C)c1cc(F)c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1[N+](=O)[O-] 791203558 AQAFXLAUFRQMQX-UHFFFAOYSA-N 428.445 4.366 5 20 IIBD O=C(C[C@@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1cccs1 791422107 JILTXQSJOZVXGI-JTQLQIEISA-N 449.337 4.389 5 20 IIBD Cc1nn(CN2C[C@@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)c2ncc([N+](=O)[O-])cc12 793709168 ZXBSJDKWBUEEHF-XIKOKIGWSA-N 435.406 4.086 5 20 IIBD COc1cc(COC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])cc1OC(F)F 796440991 HEOOREIANPXBDN-UHFFFAOYSA-N 440.355 4.134 5 20 IIBD CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 798291189 GZLXISDPEBBKNC-UHFFFAOYSA-N 442.516 4.470 5 20 IIBD CC[C@@](O)(C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc(Cl)c1 800320631 GCOHHPFFWAGKHG-WYRIXSBYSA-N 441.267 4.070 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc(F)c(Br)c(Cl)c1 803734314 FBMUBOJXFKNCNX-UHFFFAOYSA-N 445.628 4.254 5 20 IIBD O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 806402405 DQEYEGBDHNUYDX-CQSZACIVSA-N 437.296 4.488 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N(Cc1ccc(F)cc1Cl)CC1CC1 807298017 QRURNSMMZQIQKP-UHFFFAOYSA-N 440.258 4.418 5 20 IIBD C[C@@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)OC(C)(C)C)CC2)c1cccc([N+](=O)[O-])c1 807785479 FPFLHJWOZOEVGE-OCCSQVGLSA-N 446.529 4.176 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c(C)cc1Br 809099611 ZXOGRXFLKHWKIV-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)c(Cl)cc1Cl 809810309 SLWOKNAIVXGCBE-UGSOOPFHSA-N 445.324 4.348 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N1CCCCC[C@@H]1c1ccco1 810366417 WAZWBLPRJNZGQO-CQSZACIVSA-N 436.262 4.033 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1ccc(C(F)(F)F)nc1Cl 811179018 FJEAOCCSQQZTNI-UHFFFAOYSA-N 441.120 4.494 5 20 IIBD CCc1noc(-c2ccc(CCNC(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])cc2)n1 812969678 YDXMUMAIXMNQLA-UHFFFAOYSA-N 435.267 4.487 5 20 IIBD C[C@@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 813619389 VWTWPFSQZHOUKU-CVEARBPZSA-N 434.537 4.165 5 20 IIBD C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O 815652603 JNQJETODJPDFRH-GAJHUEQPSA-N 440.519 4.045 5 20 IIBD CC(C)(CO)[C@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1cccs1 821564951 YEUDSZDUYRQGMF-CQSZACIVSA-N 428.308 4.300 5 20 IIBD C[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 841974890 JCQAGNOBCFJPFI-NOYKIMNZSA-N 446.547 4.027 5 20 IIBD COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 893924911 UJPNBEDSBVUZTN-UHFFFAOYSA-N 443.334 4.108 5 20 IIBD COc1cc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)ccc1NC(=O)OC(C)(C)C 917335317 AVISQPADYOKFOL-UHFFFAOYSA-N 427.417 4.079 5 20 IIBD NC(=O)c1ccc(COC(=O)c2c(Cl)cc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])c1 919297787 QKIPESLLEBDKQJ-UHFFFAOYSA-N 437.157 4.376 5 20 IIBD CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)OCc1ccc(Cl)cc1Cl 920638189 ZEERZGAMCOSVGZ-ZDUSSCGKSA-N 447.296 4.090 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCO[C@H](c2ccc(Cl)s2)C1 1318824902 MWOAMVGXAVOAHT-LBPRGKRZSA-N 431.695 4.286 5 20 IIBD CC(C)(NC(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 1323652900 AEZJKIPCRNRWLD-OAQYLSRUSA-N 433.512 4.452 5 20 IIBD Cc1cc(C)cc(N(CC(=O)Nc2ccccc2)S(=O)(=O)c2ccsc2[N+](=O)[O-])c1 1328708838 NALSUJDXLCKZHR-UHFFFAOYSA-N 445.522 4.107 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1cnn(C2CCCCC2)c1 1332142559 SJPZEWRDDIFWAI-UHFFFAOYSA-N 438.488 4.397 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)O[C@@H](Cc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 1342597060 ICSVHFMWHGXELP-FQEVSTJZSA-N 425.462 4.139 5 20 IIBD O=C(Cc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]3F)CCC2)cc1 1786115148 YTHYGWIYJULKEP-MSOLQXFVSA-N 445.878 4.283 5 20 IIBD C[C@H]1C[C@@]1(C)C(=O)Nc1ccc(C2(NC(=O)Cc3cc(F)ccc3[N+](=O)[O-])CCC2)cc1 1790427938 WKHRYHBUQBLRQX-NPMXOYFQSA-N 439.487 4.457 5 20 IIBD COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccco4)CCC3)cc2)c([N+](=O)[O-])c1 1790571068 SZJIHBNBBIHJFJ-UHFFFAOYSA-N 449.463 4.187 5 20 IIBD CCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2)CCC1 1790622910 KPEZUZWJZYMZCB-UHFFFAOYSA-N 425.485 4.484 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc(F)c4[N+](=O)[O-])cc3)CCC2)ccn1 1790701647 ZVDOGTKRZRRIID-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD CCCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C3)cc1 1799766338 WUXSFCLRIFTLCI-NUNAXRQHSA-N 449.551 4.432 5 20 IIBD Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c(F)ccc([N+](=O)[O-])c2C)C3)c(F)c1 1800307990 PCOMGVJZFYZLPE-MUJYYYPQSA-N 443.450 4.055 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC2(CCCN(C(=O)CCC3CCC3)C2)CC1 1805793861 HOELMIBZBIGUSS-UHFFFAOYSA-N 441.572 4.339 5 20 IIBD CCC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3ccc([N+](=O)[O-])o3)n[nH]2)CCC1 1814968209 TWNQYSOJZWJZNI-LKUPDRCFSA-N 441.488 4.197 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CC=CCC2)CC1 1824106113 UITFWIXLGQELPP-XMSQKQJNSA-N 443.519 4.324 5 20 IIBD C[C@@H]1C[C@@]1(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830499351 ULVAMJZEMTXHLX-ZNRXUEPQSA-N 431.508 4.013 5 20 IIBD CC(C)(Cc1ccccc1)C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 1847057043 BWIYCYZLYMFCLZ-BUHFOSPRSA-N 447.535 4.080 5 20 IIBD CCCCn1c(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O 3562939 FEZVVBJGFOTKLD-CQSZACIVSA-N 426.498 4.224 5 20 IIBD CC(C)OCc1ccc(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 9891580 UWQADGOAIGAROR-UHFFFAOYSA-N 425.407 4.381 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)COc1ccc2oc3c(c2c1)CCCC3 10839407 MREZEISMWZUSCJ-UHFFFAOYSA-N 438.436 4.089 5 20 IIBD O=c1cc(-c2ccc([N+](=O)[O-])cc2)c2ccc(OS(=O)(=O)Cc3ccccc3)cc2o1 15327029 NLPDJXMSFGRIRP-UHFFFAOYSA-N 437.429 4.277 5 20 IIBD COc1ccc2cc([C@H](C)C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)ccc2c1 18441438 FCWORQLNTYFDQH-AWEZNQCLSA-N 438.436 4.051 5 20 IIBD COc1ccc(-c2nc(C)c(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)s2)cc1 19619129 GQSFIAJIFLCOKZ-UHFFFAOYSA-N 442.449 4.259 5 20 IIBD O=C(COC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)Nc1ccccc1[N+](=O)[O-] 22006103 MVGPMZUFTKENTJ-UHFFFAOYSA-N 448.460 4.305 5 20 IIBD CN(C(=O)COC(=O)Cc1ccccc1[N+](=O)[O-])[C@H](c1ccccc1)c1ccc(F)cc1 22940788 RXMBQDCPEAMCSP-XMMPIXPASA-N 436.439 4.068 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 23529890 UGAHXJGOGBEGQD-LLVKDONJSA-N 442.324 4.479 5 20 IIBD COc1ccc([C@H](NC(=O)COC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C2CC2)cc1 26342357 MJKUYBTWRRZTAW-JOCHJYFZSA-N 440.496 4.325 5 20 IIBD Cc1nc(-c2c[nH]c(C(=O)NCCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)cs1 28689488 GURDRHPTVMMMBO-UHFFFAOYSA-N 439.419 4.216 5 20 IIBD CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(C(N)=O)cc1[N+](=O)[O-] 32534441 QIWVOFDZAHSYFF-UHFFFAOYSA-N 427.464 4.183 5 20 IIBD COc1ccc(NC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@H]3C)cc2)c([N+](=O)[O-])c1 57561553 AEGXFICESDSBMU-IYBDPMFKSA-N 441.484 4.024 5 20 IIBD CCN(CC)C(=O)c1ccc(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])cc1Cl 59012307 WGLHFZYIHIESLR-UHFFFAOYSA-N 433.892 4.446 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc3[nH]c(-c4ccccc4Cl)nc3c2)ccc1O 72027211 CRCKIXPLXWIWCQ-UHFFFAOYSA-N 444.856 4.298 5 20 IIBD C[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1ccc(S(=O)(=O)N(C)C)cc1 237581949 UOZGHALVCBMEJY-HNNXBMFYSA-N 445.566 4.424 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NC[C@@H](O)c3ccsc3)c([N+](=O)[O-])c2)c(C)c1 301332566 AVCUFHSWPSYSOZ-HXUWFJFHSA-N 447.538 4.219 5 20 IIBD C[C@@H](Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])[C@@H](O)c1ccc(F)cc1 302515889 ACRSPMXXOWXMLO-SPLOXXLWSA-N 445.472 4.069 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N[C@H]1CCCC12CCOCC2 409675667 LKUGAUXKCIFDAC-FQEVSTJZSA-N 431.514 4.157 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N(Cc1ccc(F)cc1)C1CCOCC1 427730009 YAVWCGLVZKYMLR-UHFFFAOYSA-N 427.476 4.156 5 20 IIBD C[C@H](NC(=O)Nc1ccnn1Cc1ccccc1Br)c1cccc([N+](=O)[O-])c1 429531190 WRLXGOMRZVXLDX-ZDUSSCGKSA-N 444.289 4.485 5 20 IIBD C[C@H]1CC(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)Cc1ccccc1[N+](=O)[O-] 430440176 RVNVZYZIJGJFIX-SFHVURJKSA-N 429.476 4.496 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)cc1SC 430626716 MBMKAFJZDHWPQQ-NVXWUHKLSA-N 429.542 4.108 5 20 IIBD Cc1ccc(S(=O)(=O)C2(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)CCCC2)cc1 430630391 YJRPLCMDSUPHDF-UHFFFAOYSA-N 444.553 4.129 5 20 IIBD Cc1c(NC(=O)c2ccccc2OC[C@H]2CCCO2)cc(Br)cc1[N+](=O)[O-] 431183861 QZIBECVBQMVIBW-CQSZACIVSA-N 435.274 4.476 5 20 IIBD CSc1ccc([C@H](CC(=O)O)NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 431796050 SAIKMDRFZNCJQC-FQEVSTJZSA-N 446.528 4.209 5 20 IIBD CC(C)(NC(=O)Nc1ccc(CS(=O)(=O)C(C)(C)C)cc1)c1ccccc1[N+](=O)[O-] 432765303 MISBWLZGIQDLCU-UHFFFAOYSA-N 433.530 4.365 5 20 IIBD COc1cc(OC)cc([C@H](N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c2nccn2C)c1 433138451 XWGFILJUACXAIR-YADHBBJMSA-N 436.512 4.447 5 20 IIBD COC(=O)C[C@@H]1CCCN1C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 435280433 NPVSFBFBZFRMPX-INIZCTEOSA-N 431.876 4.028 5 20 IIBD COc1cc(NC(C)=O)ccc1NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 435443711 PJIZBPWSMJQHIM-AWEZNQCLSA-N 449.467 4.382 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)c1cn(Cc2ccccn2)nn1 435447777 IDZXBCQYBRJBMO-UHFFFAOYSA-N 438.494 4.095 5 20 IIBD CCN(C(=O)Cc1ccc(NC(=O)c2cccc(OC)c2[N+](=O)[O-])cc1)c1ccccc1 435559821 JUBQYWFBTHAKFO-UHFFFAOYSA-N 433.464 4.451 5 20 IIBD O=C(NCCCOc1ccc(F)cc1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436239844 OARPERKLFXXVLM-UHFFFAOYSA-N 426.394 4.298 5 20 IIBD O=C(c1ccccc1O)N1CCC(N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 436944666 CAKTVZKYJYADNU-DEOSSOPVSA-N 431.492 4.284 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1 438682906 RQIMZNDIAHDWEI-MSOLQXFVSA-N 442.537 4.391 5 20 IIBD CCc1[nH]nc(C(=O)NCc2ccc(Oc3ccccc3C(F)(F)F)nc2)c1[N+](=O)[O-] 440149344 VGXUEFUKXVZHPC-UHFFFAOYSA-N 435.362 4.016 5 20 IIBD O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3csc(Cc4ccc(Cl)cc4)n3)C2)nc1 440493840 YILALRZQZSDDHT-MRXNPFEDSA-N 429.933 4.377 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc(OC4COC4)cc3)cc2[N+](=O)[O-])C1 444331102 UUXFMQBNAQKLQB-HOTGVXAUSA-N 425.485 4.107 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444994372 KGTCURYPKUTKBS-CYBMUJFWSA-N 436.497 4.463 5 20 IIBD COc1ccc([C@H](C)NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1Br 445502612 IGVWIOCHSZYJDG-LBPRGKRZSA-N 434.290 4.195 5 20 IIBD Cc1cc(-c2nc(-c3c([N+](=O)[O-])nc(C)n3C)no2)nn1-c1ccc(Cl)cc1Cl 445605895 XVHMOSOCPXFQKQ-UHFFFAOYSA-N 434.243 4.155 5 20 IIBD C[C@@H](NC(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1)c1cccc([N+](=O)[O-])c1 445612623 MPUROKYBGPNSQI-LLVKDONJSA-N 430.873 4.188 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCN(CCc2ccccc2)CC1 447668923 IBASULTWHQPUOZ-UHFFFAOYSA-N 430.377 4.009 5 20 IIBD CCCOc1cc(NC(=O)c2cn(C)nc2-c2ccoc2)c([N+](=O)[O-])cc1OCCC 448136619 HXUISVRJWYDWLX-UHFFFAOYSA-N 428.445 4.418 5 20 IIBD CNc1c(C(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)cccc1[N+](=O)[O-] 462901961 YZXLEZGQYGWRAP-UHFFFAOYSA-N 436.434 4.003 5 20 IIBD COCCN(C(=O)COc1cc(F)cc(F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 463090004 QVKIGJDOTQIATP-UHFFFAOYSA-N 449.435 4.055 5 20 IIBD CCOc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)c1OC(F)F 465042660 NQVIZQYOGATLFD-UHFFFAOYSA-N 445.216 4.287 5 20 IIBD C[C@@H](Cc1ccccc1Br)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 470758546 XZBLOGJKASVIHC-ZDUSSCGKSA-N 443.301 4.119 5 20 IIBD C[C@@H]1CN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C[C@@H](C2CC2)O1 470907399 SLRAQGMEXBKUCZ-OREJSRFESA-N 429.904 4.427 5 20 IIBD COc1ccccc1[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N(C)C 475211662 WCOZMMWCKHDODO-INIZCTEOSA-N 426.395 4.047 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCCc2nn(C)c3ccccc23)cc1[N+](=O)[O-])c1ccccn1 476825609 JNWBTALHIMHQJL-MRXNPFEDSA-N 444.495 4.022 5 20 IIBD CCc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 477083097 CSNKQGLFFVPSKL-UHFFFAOYSA-N 429.864 4.139 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1noc(-c2cccc(Br)c2)n1 477145847 AODNADTYHDKYHR-UHFFFAOYSA-N 445.273 4.263 5 20 IIBD CCOc1cc(N2CCN(C(=O)[C@H]3C[C@H]3c3cccc(Cl)c3)CC2)ccc1[N+](=O)[O-] 477354236 NVOMCMNTWYAOAY-OALUTQOASA-N 429.904 4.099 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C[C@]2(CCOC2)O1 478400663 QWJQMDMHOXLSIC-SZNDQCEHSA-N 448.928 4.419 5 20 IIBD COc1cc(C(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc([N+](=O)[O-])c1C 478493878 UKBAFQGXMKVUQJ-AWEZNQCLSA-N 432.782 4.047 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 479626535 YBWOKHXJKKRDGE-ZWNOBZJWSA-N 430.452 4.328 5 20 IIBD C[C@@H](NC(=O)N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1cccc([N+](=O)[O-])c1 481064651 XUGBOYYYZJDOEZ-JLTOFOAXSA-N 437.418 4.376 5 20 IIBD CCN(Cc1ccccc1Br)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 482411816 DAKCQDBXOVVUAW-UHFFFAOYSA-N 429.274 4.205 5 20 IIBD O=C(NC[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1)c1ccc([N+](=O)[O-])[nH]1 484719430 FTKRXTZYUAKPIV-QGZVFWFLSA-N 430.917 4.167 5 20 IIBD C[C@@H](NC(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1)c1ccc(NC(=O)Nc2ccccc2)cc1 485657548 BAFLDDOSBKOXEK-CQSZACIVSA-N 448.435 4.428 5 20 IIBD CC(C)(C)C(=O)NCc1ccc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 486717595 QBDDIKHUZUGLPX-UHFFFAOYSA-N 437.418 4.206 5 20 IIBD COc1ccc(Oc2cc(CNC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)ccn2)cc1 487652502 BBQBBZVPDPXSFV-UHFFFAOYSA-N 445.378 4.322 5 20 IIBD CNC(=O)Cn1ccc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3SCC(C)C)cc21 487995123 VCAOWOIHTBDTBN-UHFFFAOYSA-N 440.525 4.296 5 20 IIBD Cc1ccc([C@H](C)NC(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)cc1[N+](=O)[O-] 488071680 SLVCPXBCBRNREG-NSHDSACASA-N 437.353 4.133 5 20 IIBD CCn1c(SCC(=O)N(Cc2ccccc2)C2CC2)nnc1-c1ccc([N+](=O)[O-])cc1 489454339 ZCVFXIHMTWGIQQ-UHFFFAOYSA-N 437.525 4.157 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(CS(=O)(=O)C(C)C)c1 490379378 XGBKULABNZEDHW-UHFFFAOYSA-N 433.530 4.361 5 20 IIBD CCN(Cc1cccc(-c2ccncc2)c1)S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 491589427 QRUSSKHOSDQFDV-UHFFFAOYSA-N 445.472 4.015 5 20 IIBD CN(C)[C@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])Cc1ccccc1 492894142 RNJWHDIFPHIASA-NRFANRHFSA-N 433.508 4.077 5 20 IIBD CCC(C)(C)C1CCC(NC(=O)[C@H](CCSC)NC(=O)c2ccc([N+](=O)[O-])o2)CC1 495308372 ORJXLTHESPAQHD-GPANFISMSA-N 439.578 4.151 5 20 IIBD CCN(C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)[C@@H](c1ccc(C)cc1)c1cccnc1 496557313 WRBWCOYFZUZAIY-QFIPXVFZSA-N 433.464 4.337 5 20 IIBD COc1cccc(-n2ccnc2SCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 497569598 OGYCTRBAOOJPNR-UHFFFAOYSA-N 438.509 4.072 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N(C1CC1)[C@@H]1CCCc2ccccc21 500231047 AGRGYRWLPNLJND-HXUWFJFHSA-N 435.480 4.352 5 20 IIBD COc1cc(CSc2nc(C)nc(C)c2C(C)=O)c([N+](=O)[O-])cc1OCC(F)F 502909509 GTJWTLCOGQWNFC-UHFFFAOYSA-N 427.429 4.149 5 20 IIBD O=C(N[C@H](CCc1ccccc1)c1ccccc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 502968506 HMUYCLLAFPHMBF-OAQYLSRUSA-N 427.464 4.279 5 20 IIBD O=C(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)NCc1ccc(COc2ccccc2)cc1 504557203 YQRXFVIPFIDRJR-UHFFFAOYSA-N 442.475 4.354 5 20 IIBD O=C(Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1)c1cc(O)cc([N+](=O)[O-])c1 506182399 JVXUEFCQQOPFLK-UHFFFAOYSA-N 431.448 4.075 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1cccc2cc(Br)cnc12 507598297 HJEZTMGPORHHDJ-UHFFFAOYSA-N 442.678 4.360 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 507937014 NVEOFEYTSMLDQD-LBPRGKRZSA-N 426.775 4.359 5 20 IIBD C[C@H](C1CC1)N(C(=O)COc1c([N+](=O)[O-])cnc2ccc(Br)cc12)C1CC1 508158715 BNAPVETYULSKOO-LLVKDONJSA-N 434.290 4.074 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCO[C@@H](c2ccccc2Cl)C1 509199907 ZPXPWSJBKQDLAT-MRXNPFEDSA-N 427.791 4.455 5 20 IIBD O=C(Nc1ccc(Cl)cn1)C1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 509357447 KBJBNLXVACDHFU-UHFFFAOYSA-N 440.834 4.095 5 20 IIBD CCOc1cc(C)ccc1NC(=O)c1cc([N+](=O)[O-])cc(I)c1C 509547013 XUMVLIZNURCCBU-UHFFFAOYSA-N 440.237 4.467 5 20 IIBD COc1ccc2[nH]cc(C3=CCN(CC(=O)Nc4ccc([N+](=O)[O-])cc4Cl)CC3)c2c1 509558065 PIAIKLZUMGBROM-UHFFFAOYSA-N 440.887 4.466 5 20 IIBD CCOc1cc(C(=O)NCC[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC 510168171 PIRXRIJBZLWZJX-PKOBYXMFSA-N 441.528 4.033 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 510198952 NQVFFIDFRAJPHQ-SWLSCSKDSA-N 437.279 4.135 5 20 IIBD Cc1cccn2cc(CNC(=O)c3ccc(N[C@@H](C)c4ccccn4)c([N+](=O)[O-])c3)nc12 518880601 GDAALSGGSWQEEB-INIZCTEOSA-N 430.468 4.049 5 20 IIBD CCCN(C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)c1ccc(Cl)cc1 518923197 JGNKWNPGPVQERO-UHFFFAOYSA-N 426.860 4.159 5 20 IIBD CCOC(=O)c1c(-c2ccco2)csc1NC(=O)CSc1ncccc1[N+](=O)[O-] 520087780 BFSCDZDNDYPXTG-UHFFFAOYSA-N 433.467 4.219 5 20 IIBD COc1ccc(-c2csc(NC(=O)CCn3nc(C)c([N+](=O)[O-])c3C)n2)cc1Cl 523954702 YQLPTHSPLYXWAC-UHFFFAOYSA-N 435.893 4.222 5 20 IIBD CC(C)[C@@H](NC(=O)COc1ccc(Br)cc1[N+](=O)[O-])c1ccc(F)cc1 525113616 WMXXGJDPWDAQKD-GOSISDBHSA-N 425.254 4.389 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2C[C@@H](C)C(=O)Nc3ccccc32)cc1[N+](=O)[O-])c1ccccn1 525148736 KNBLTIWHHXHFJS-CVEARBPZSA-N 445.479 4.398 5 20 IIBD CN(c1ccccc1)c1ccc(CNCCCc2nnc3n2CCCCC3)cc1[N+](=O)[O-] 525195399 MDJBZRNMUOZDMX-UHFFFAOYSA-N 434.544 4.403 5 20 IIBD CCOC(=O)[C@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)c2ccccc21 527082883 IFCZYABPICEIFK-IBGZPJMESA-N 440.499 4.238 5 20 IIBD C[C@@H](NC[C@@]1(N2CCOCC2)CCSC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 531695226 QAFIDXVWKLUMJM-IERDGZPVSA-N 433.599 4.182 5 20 IIBD COc1cc(C(=O)N[C@H](C)c2nnc(C)o2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 532356382 RFWMHQIDSMEYNY-SNVBAGLBSA-N 432.820 4.232 5 20 IIBD CCCS(=O)(=O)Nc1cccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 532895838 KBNFRMZJOBLSEH-UHFFFAOYSA-N 432.527 4.482 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@H]1Cn1cnc2ccccc21 534459228 RQQIOZHMZHVILT-IBGZPJMESA-N 436.515 4.196 5 20 IIBD Cc1ccc(-c2csc(NC(=O)[C@H]3CCCN(CC(F)(F)F)C3)n2)cc1[N+](=O)[O-] 535119558 DOGDQUREJXSTNO-ZDUSSCGKSA-N 428.436 4.240 5 20 IIBD COc1cc(CN[C@H]2CN(C)Cc3ccccc32)c([N+](=O)[O-])cc1OCc1ccccc1 536023804 YWKAZFYOKPEQSJ-QFIPXVFZSA-N 433.508 4.459 5 20 IIBD COc1cc(C(=O)Nc2ccc(F)cc2OCC(F)F)c([N+](=O)[O-])cc1OC(F)F 536968987 OSVFLCGZRPLVFA-UHFFFAOYSA-N 436.289 4.240 5 20 IIBD COCCOc1c(Cl)cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1Cl 538013926 LNFJIEMMQQWVHK-UHFFFAOYSA-N 435.285 4.036 5 20 IIBD COc1ccc(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c(OC2CCCC2)c1 538742921 IQRNHYLNOHAAAU-UHFFFAOYSA-N 426.516 4.002 5 20 IIBD COc1ccc(CN(C(=O)N=c2cc[nH]cc2[N+](=O)[O-])[C@H]2CCCC[C@@H]2C)cc1OC 541907262 LOYLMEHKAKEJKI-YJBOKZPZSA-N 428.489 4.042 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CCOCC2(CCOCC2)C1 542576793 LVDVYWQOGDHALA-UHFFFAOYSA-N 434.558 4.146 5 20 IIBD CC(C)[C@@H](Cc1ccc(F)cc1)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br 543478993 MOSLTXDRWYSCOB-GOSISDBHSA-N 438.297 4.292 5 20 IIBD CC[C@H](C)c1ccc(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3c(=O)n2C)cc1 545841806 VENXLTIRJMQUKZ-ZDUSSCGKSA-N 426.498 4.086 5 20 IIBD CC(=O)N(CCc1noc(-c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)n1)C(C)C 547193586 BBICNRKNQLPLHI-UHFFFAOYSA-N 447.542 4.360 5 20 IIBD Cc1cc(S(C)(=O)=O)cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)c1C 550842396 OOZUNNHTJLBGRF-UHFFFAOYSA-N 445.522 4.299 5 20 IIBD O=C(Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2)c1c(Cl)cccc1[N+](=O)[O-] 551367854 DWQIEBJCECOABK-UHFFFAOYSA-N 427.816 4.204 5 20 IIBD CN(C)C(=O)C[C@H]1CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c2ccc(Cl)cc21 551409600 QTYJDYAIPCCDJY-AWEZNQCLSA-N 429.904 4.135 5 20 IIBD COc1ccc(CN[C@H]2CCOC3(CCOCC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 553877811 PTEUEBHNSMAUKN-FQEVSTJZSA-N 442.512 4.000 5 20 IIBD CCOc1cc(Br)c(F)cc1NCC(=O)Nc1cc([N+](=O)[O-])ccc1C 558593682 UYSVUUKDJOYJOM-UHFFFAOYSA-N 426.242 4.254 5 20 IIBD C[S@@](=O)Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1 561452481 VTMRIMHCHISGNM-WJOKGBTCSA-N 437.521 4.015 5 20 IIBD O=C(Nc1ccc(OC(F)F)cn1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 561939696 WLZWUBLECFAIGT-UHFFFAOYSA-N 444.181 4.336 5 20 IIBD O=C(CCCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)N1CCN(c2ccccc2)CC1 564267929 OZMKOQNADNGCML-UHFFFAOYSA-N 448.523 4.073 5 20 IIBD CC(C)Oc1ccc2ccccc2c1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 566823215 FSWZLKHRANGCBI-UHFFFAOYSA-N 428.510 4.099 5 20 IIBD O=C(c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CC(C2CCCCC2)C1 570312574 VEDGBWPMDPWVQS-UHFFFAOYSA-N 443.525 4.048 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)Cc1noc([C@@H](C)c2cccc([N+](=O)[O-])c2)n1 574198794 RHEBZAIYGSJWST-LBPRGKRZSA-N 430.848 4.281 5 20 IIBD CCOc1cc(N2CCN(c3nccc4cc(OC)c(F)cc34)CC2)ccc1[N+](=O)[O-] 580913169 ATHOIZOJEILDCW-UHFFFAOYSA-N 426.448 4.016 5 20 IIBD CNS(=O)(=O)c1ccc(N[C@H](C)c2ccc(OC3CCCC3)c(OC)c2)c([N+](=O)[O-])c1 603861164 QBSBBKMSRFLGIB-CQSZACIVSA-N 449.529 4.006 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 603964993 SLGYDXCNIKQUHX-FQEVSTJZSA-N 448.454 4.410 5 20 IIBD CCC(CC)C(=O)N1CCC(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 604180757 ZOGMACNYGRKMSV-UHFFFAOYSA-N 438.528 4.495 5 20 IIBD CCC(C)(C)NC(=O)c1ccc(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)cc1Cl 608804993 QTSUJPYECPEEJL-UHFFFAOYSA-N 435.912 4.009 5 20 IIBD Cc1ccc(-c2nnc(SCCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)o2)cc1C 609749954 LIZBDMLUQBAZED-UHFFFAOYSA-N 426.454 4.352 5 20 IIBD CCOc1cc(C(=O)Nc2ccc(OC3CCOCC3)c(C)c2)c([N+](=O)[O-])cc1OC 609980280 AKBSLQIAYQJCCM-UHFFFAOYSA-N 430.457 4.121 5 20 IIBD COc1cc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)ccc1NC(=O)c1cccnc1 610039671 RQEDLMZQZMGEMD-UHFFFAOYSA-N 434.452 4.167 5 20 IIBD CC(C)(C(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1)c1ccc([N+](=O)[O-])cc1 610041070 OPTFLLOSSVTLJP-UHFFFAOYSA-N 425.872 4.375 5 20 IIBD Cc1ccc(NCCCNC(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)c([N+](=O)[O-])c1 610090878 NKTBRJWCBUUTJR-LEWJYISDSA-N 430.480 4.064 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCC1(c2ccccc2Br)CC1 610156003 KRHXDIXATGCKSV-UHFFFAOYSA-N 428.286 4.160 5 20 IIBD COc1ccc(CNCC2(SC)CCOCC2)cc1OCc1ccc([N+](=O)[O-])cc1 610271322 ATNWCQKWBOHFTF-UHFFFAOYSA-N 432.542 4.184 5 20 IIBD O=C(Nc1ccnn1Cc1c(Cl)cccc1Cl)c1cc2c(cc1[N+](=O)[O-])OCO2 611995588 ZKMJFPUFWLYFNH-UHFFFAOYSA-N 435.223 4.127 5 20 IIBD O=C(NCc1ccccc1N1CCCC1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 681966608 QTYXBGFVIZLQJK-UHFFFAOYSA-N 433.458 4.490 5 20 IIBD COC(=O)c1sc2ccccc2c1COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 726811302 WQQHVGDWTZLNND-UHFFFAOYSA-N 430.394 4.170 5 20 IIBD C[C@@H](OC(=O)CC[C@H](O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 726872881 JYBBYVIRHZOVLY-VLIAUNLRSA-N 446.475 4.415 5 20 IIBD C[C@H](OC(=O)Cc1coc(-c2cccs2)n1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 730057800 JYPGZUADQWZPIR-NSHDSACASA-N 426.410 4.208 5 20 IIBD COc1ccc(COC(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)cc1[N+](=O)[O-] 730885531 KGZHVVOYTZBDSJ-UHFFFAOYSA-N 438.774 4.132 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 733959868 NDDSYNGBPFXPFQ-UHFFFAOYSA-N 429.376 4.186 5 20 IIBD CCc1ccc(OC(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)c([N+](=O)[O-])c1 734739938 OUVMCVAECXEACF-HNNXBMFYSA-N 436.386 4.130 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@H]3C[C@@H]3c3c(F)cccc3F)CC2)ccc1[N+](=O)[O-] 739386817 YQUDSMLICBURCG-HOTGVXAUSA-N 432.423 4.197 5 20 IIBD C[C@@H](OC(=O)CCCOc1ccc(F)cc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 742975037 RGDGIIZKTOYEBL-GFCCVEGCSA-N 433.367 4.386 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)c1cccc2cnccc12)c1cccc([N+](=O)[O-])c1 744465023 KDTVRRQNGCEDFO-IBGZPJMESA-N 433.464 4.385 5 20 IIBD COc1c([N+](=O)[O-])cc(NCc2cccc3cccnc23)c([N+](=O)[O-])c1Br 745170469 MBSXAEAHYZGEMC-UHFFFAOYSA-N 433.218 4.434 5 20 IIBD CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)CC2 746860901 DVHZITNUSMAHOA-GJZGRUSLSA-N 443.422 4.228 5 20 IIBD CC(C)Nc1ncccc1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 748452903 JIGHDSVHTGXRRI-NSHDSACASA-N 440.378 4.013 5 20 IIBD Cc1c(C(=O)O[C@H](C(=O)Nc2ccccc2F)C(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748946255 FKFYAKRHIWVANK-SFHVURJKSA-N 433.392 4.079 5 20 IIBD Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])C2)cc1 749956045 UYWBMCKUIKGGDB-OAHLLOKOSA-N 430.892 4.231 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCC(OC[C@@H]2CCCCO2)CC1 750033063 MDMMEKABPUYLFZ-AWEZNQCLSA-N 433.383 4.076 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)C(=O)Nc1ccc(Cl)cc1 751692192 MOYSVWSVLDPSHD-QMMMGPOBSA-N 445.628 4.334 5 20 IIBD Cc1c(-c2nc([C@H](CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)no2)cccc1[N+](=O)[O-] 752861148 BRFIGSQSDWNZBQ-AWEZNQCLSA-N 448.476 4.251 5 20 IIBD Cc1noc([C@@H](OC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c2ccccc2)n1 753192192 DABGKVPZYMSHTR-INIZCTEOSA-N 432.230 4.304 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CCO[C@@H](c2ccccc2Cl)C1 753820615 PVYARKRQWMGZFQ-OAHLLOKOSA-N 425.666 4.224 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 754218680 FKAOVVXSOLDJBV-UHFFFAOYSA-N 425.445 4.239 5 20 IIBD C[C@H](Cc1nc2ccccc2s1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754995331 YWJWWHWTHKPVCK-SECBINFHSA-N 438.278 4.467 5 20 IIBD C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(N3CCS[C@H](C)CC3)c2[N+](=O)[O-])CCS1 755055022 IYEIAOLESAPEDF-ZIAGYGMSSA-N 426.564 4.167 5 20 IIBD C[C@@H](OC(=O)Cc1ccc(F)cc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 756615496 CWNBPSMPYNCDLY-SECBINFHSA-N 432.301 4.005 5 20 IIBD CC[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1NC(=O)OC(C)(C)C 756918523 PVDCGCREOPUOHS-WFASDCNBSA-N 426.901 4.405 5 20 IIBD CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)O[C@@H](C)C2 756993748 YJDJQSZOESPXTI-IWEFOYFVSA-N 430.888 4.390 5 20 IIBD Cc1ccc(NC(=O)c2nnc(COC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)s2)cc1 763724346 LZPYHYOULMMWLY-UHFFFAOYSA-N 432.845 4.017 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1 766435497 HYOSEZZZNSZFGH-UHFFFAOYSA-N 428.489 4.065 5 20 IIBD CCOc1c(Cl)cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1Cl 767048708 VLCUKJWJFKWGIE-UHFFFAOYSA-N 436.229 4.009 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 769421701 CRNUGQFEYCXDNR-SJLPKXTDSA-N 443.548 4.121 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCN(Cc2ccc(Cl)nc2)CC1 771765444 OTCVXZVAGRAPOP-UHFFFAOYSA-N 443.813 4.012 5 20 IIBD Cc1ccc(C)c(NC(=O)[C@@H](C)OC(=O)c2sc(Br)cc2[N+](=O)[O-])c1 773597758 LSOZLYJPUOQAHY-SNVBAGLBSA-N 427.276 4.220 5 20 IIBD Cc1ccccc1-c1nc(C)c(C(=O)OCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)s1 775116853 AWPVGGCFUZZFRY-UHFFFAOYSA-N 437.477 4.081 5 20 IIBD C[C@H](OC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCCCC2)cc1 778169953 OJFPNNZKZUPYQZ-HNNXBMFYSA-N 447.438 4.247 5 20 IIBD CC(=O)c1sc(NC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)nc1-c1ccccc1 778228148 NWYMMJNPSFHKMW-UHFFFAOYSA-N 425.451 4.178 5 20 IIBD Cc1cc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 778599742 YXPFSPOTTBNFAF-RDJZCZTQSA-N 427.505 4.100 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@H](C)OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 781258679 BCMDPRPYEPMDAF-HNNXBMFYSA-N 430.460 4.182 5 20 IIBD CC[C@@H]1c2ccsc2CCN1C(=O)COC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 781259187 ACMMJHGLHQPRPW-OAQYLSRUSA-N 446.528 4.436 5 20 IIBD O=C(OCc1cn2cc(Br)ccc2n1)c1ccc2[nH]c3ccccc3c(=O)c2c1 781260794 ZACYEGOZJDJDEE-UHFFFAOYSA-N 448.276 4.449 5 20 IIBD O=C(NC[C@@H](Cc1ccccc1)c1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 783328772 IJHRONWIDWHHNQ-GOSISDBHSA-N 437.883 4.329 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 787036885 ZQRMYWYYPFACMP-UHFFFAOYSA-N 445.519 4.498 5 20 IIBD O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 787405774 FBAQEQODKGEEFR-UHFFFAOYSA-N 448.932 4.097 5 20 IIBD C[C@@H](OC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1nnnn1C1CCCCC1 787783220 VNXMMPAJIHOULR-LLVKDONJSA-N 425.898 4.136 5 20 IIBD CC[C@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@H](c1ccc(C)cc1)n1cncn1 790561318 ZTKGODRILNHTJP-RXVVDRJESA-N 445.882 4.014 5 20 IIBD C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)c1nnnn1C1CC1 791227240 JNPVFYYVHPZQLJ-LLVKDONJSA-N 444.904 4.212 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Oc2ccc(-c3ncnn3C)cc2)cc1 792125779 GWDVPKZWHZUVGO-UHFFFAOYSA-N 446.419 4.410 5 20 IIBD O=C(COc1cc(Cl)c(Cl)cc1[N+](=O)[O-])N1CCO[C@H](c2ccc(F)cc2)C1 794499447 YOSJSDMMNFYGPJ-KRWDZBQOSA-N 429.231 4.020 5 20 IIBD CC(C)Oc1ccc(N(C)S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])cc1 795354265 UCGMTOYMGNREFI-UHFFFAOYSA-N 447.282 4.109 5 20 IIBD O=[N+]([O-])c1cc(Cl)c2c(cnn2CN2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)c1 795671351 XLTBGRUGDVXPSU-QGZVFWFLSA-N 446.895 4.060 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(C(F)(F)F)cc1Cl 798214827 PJNXFHLAQDUYOS-UHFFFAOYSA-N 443.809 4.380 5 20 IIBD O=C(Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1)c1cn2c(n1)CCCC2 799295167 AUBQJBPCVWTFGW-UHFFFAOYSA-N 440.843 4.253 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCC(Cc1ccccc1)Cc1ccccc1 800625709 SECPNULNKOLEQV-UHFFFAOYSA-N 449.482 4.199 5 20 IIBD CO[C@H](C)c1nc(Cc2noc(-c3cc([N+](=O)[O-])ccc3N3CCCCC3)n2)cs1 809444632 JVDITZVWZSIESW-CYBMUJFWSA-N 429.502 4.390 5 20 IIBD CCc1c(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)nnn1-c1ccc(OC(C)C)cc1 813246354 JEKBQDZKTOMKCM-UHFFFAOYSA-N 429.864 4.431 5 20 IIBD CCOC(=O)c1cc(COC)cc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 817012913 OGPWXGJEMLITIN-UHFFFAOYSA-N 427.240 4.477 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)N1CCC2(CC1)OCCCO2 818422818 GILPMVMNGGSUEM-UHFFFAOYSA-N 445.903 4.230 5 20 IIBD COc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1NC(=O)OC(C)(C)C 915187090 IHHNPODPXMUPSZ-UHFFFAOYSA-N 437.474 4.060 5 20 IIBD C[C@@H](OC(=O)CCCc1ncc(-c2ccccc2)o1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 915508367 QRUOGAYLPXZUNJ-CQSZACIVSA-N 441.415 4.282 5 20 IIBD CC(C)[C@@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)Nc1cccc2ncccc12 919514940 YDQJQJOJGVOXLY-OAQYLSRUSA-N 432.436 4.444 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 920246266 GVVCYUFFPDFGEF-HNNXBMFYSA-N 449.573 4.466 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1/C=C1/N=C(c2ccc(Cl)c([N+](=O)[O-])c2)OC1=O 920391243 AWUGEDKFERDUOP-YBFXNURJSA-N 436.855 4.454 5 20 IIBD C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)c1nc(C(C)(C)C)cs1 1116002377 JWVPXGPOZHARKI-VIFPVBQESA-N 448.364 4.151 5 20 IIBD Cc1nccn1-c1ccncc1NC(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 1328356284 RYUKIQLJSFRBTG-IYBDPMFKSA-N 434.500 4.219 5 20 IIBD CCC(CC)(CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)c1ccc(OC)c(OC)c1 1337967993 FSKNRLBHSIOAEV-UHFFFAOYSA-N 427.501 4.395 5 20 IIBD O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)NCc1ccc([N+](=O)[O-])cc1 1341182844 LZTYYKKQDSTTFW-UHFFFAOYSA-N 434.827 4.254 5 20 IIBD Cc1ncccc1C(=O)NC1(c2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2)CCC1 1790696758 SNBLNDPTORLEIC-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD CC(C)c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc([N+](=O)[O-])cc2F)cc1 1800349676 CZVYQIDILAMAOI-REPLKXPHSA-N 439.487 4.423 5 20 IIBD O=C(CCC1CCC1)Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)[nH]n1 1815051775 TZALBLJVDXWJJT-LJQANCHMSA-N 443.479 4.343 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)C(C)(C)C)n[nH]1 1816833087 YDUKWVUACZLMHN-INIZCTEOSA-N 431.468 4.117 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C2CC2)[nH]n1 1821284170 YHPLHWXVFVJELF-HKMNZKMDSA-N 441.463 4.038 5 20 IIBD C[C@@H]1C[C@@]1(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])n[nH]1 1823503983 XAYMXXDTDOUOPX-DLYRNERESA-N 437.500 4.070 5 20 IIBD C[C@@]1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)CC=CCC1 1823617058 YHOCHJIAWOFBDB-WZONZLPQSA-N 429.517 4.168 5 20 IIBD COc1cc(COC(=O)COc2ccc(F)cc2Cl)c([N+](=O)[O-])cc1OC(F)F 11011793 SNFXKTGCTBRFDE-UHFFFAOYSA-N 435.738 4.120 5 20 IIBD Cc1csc(Sc2ccc(C(=O)NCCc3cn4ccccc4n3)cc2[N+](=O)[O-])n1 11534583 XPUVAPUOLJYZTC-UHFFFAOYSA-N 439.522 4.131 5 20 IIBD C[C@H](NC(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 13999505 GSFREVVTHQEUHA-AWEZNQCLSA-N 434.408 4.246 5 20 IIBD CCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 16105357 WRZOVENCRUDGIR-UHFFFAOYSA-N 447.538 4.482 5 20 IIBD COCc1c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)oc2ccccc12 21693248 XTSLEGOAXGWXIN-LLVKDONJSA-N 432.816 4.325 5 20 IIBD CCCCSc1nnc(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)s1 22489749 ZBKCVFHWGSYXCC-JTQLQIEISA-N 428.561 4.466 5 20 IIBD C[C@@H](c1cccs1)N(C)C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 24234652 XOQDPJRKLXFTME-AWEZNQCLSA-N 446.506 4.257 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)Nc1cc(F)ccc1F 28606642 AGCUARBAQVOFEP-UHFFFAOYSA-N 441.390 4.281 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)cc1OC 58491036 XEZHQBCAPOPJCR-UHFFFAOYSA-N 429.860 4.335 5 20 IIBD CNC(=O)c1ccc(Sc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)c([N+](=O)[O-])c1 64905308 RKXZUCNPGPRMPQ-UHFFFAOYSA-N 449.467 4.492 5 20 IIBD CN(Cc1ccccn1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 108738544 TYYLHYYKZXZHBO-UHFFFAOYSA-N 427.464 4.044 5 20 IIBD Cc1ccc(CNC(=O)c2cccc(CNc3cc4ncnc(O)c4cc3[N+](=O)[O-])c2)cc1 301091047 KZAMZDHVXDYBIA-UHFFFAOYSA-N 443.463 4.094 5 20 IIBD Cc1ccc(C)c(OC2CCN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])CC2)c1 301272589 VSYNZJOLAYSGMR-UHFFFAOYSA-N 440.468 4.256 5 20 IIBD C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)Nc1ncc([N+](=O)[O-])cc1Br 301749261 SXLJMIMQQMWKGH-CYBMUJFWSA-N 448.321 4.182 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[C@H](COc3ccccc3Cl)C2)s1 301930789 KZDZQMBSLQUTJE-LBPRGKRZSA-N 430.935 4.009 5 20 IIBD O=c1c(Cl)c(N[C@H]2CCCOc3c(F)cccc32)cnn1-c1ccc([N+](=O)[O-])cc1 302061558 RITHMAVAQMWXRJ-INIZCTEOSA-N 430.823 4.259 5 20 IIBD CCOC(=O)c1ccnc(N2CCC[C@@H]2c2cc(F)cc(Br)c2)c1[N+](=O)[O-] 302231412 YPEUTZPNYYITLI-OAHLLOKOSA-N 438.253 4.410 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Nc1cc(Br)cc(C(F)(F)F)c1 392947505 BNIZIZQBWHUJJH-UHFFFAOYSA-N 443.172 4.316 5 20 IIBD COc1cc(C(=O)NCCc2nc(-c3ccccc3)c(C)s2)cc([N+](=O)[O-])c1OC 409661711 NERIUJGZYMAWGI-UHFFFAOYSA-N 427.482 4.016 5 20 IIBD COC(=O)c1cc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc2[nH]ccc12 425974049 BUGOFKGKXSMZIE-UHFFFAOYSA-N 429.407 4.341 5 20 IIBD O=C(O)[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1ccc(-c2cccc(F)c2F)o1 426741388 FEXVPRIHCHBWOZ-LJQANCHMSA-N 441.390 4.400 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1C 427273432 MDNDOICEHIEMCC-GJZGRUSLSA-N 425.485 4.282 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(CO)c1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 428067279 SAKJDZFLGWHAIH-KRWDZBQOSA-N 425.268 4.136 5 20 IIBD O=C([C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1CC2(CCCC2)c2ccccc21 434036049 KHLFJQZCUPRXDP-KRWDZBQOSA-N 425.510 4.120 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(CN2CCOCC2)c1 436023447 BDJZFPROQXGFNK-AWEZNQCLSA-N 435.933 4.200 5 20 IIBD O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 436301097 XNYKNOABZOACAF-UHFFFAOYSA-N 448.300 4.281 5 20 IIBD Cn1c(-c2cc(Br)c(O)c(Br)c2)nc2cc([N+](=O)[O-])ccc21 436657465 QMEGXQDOVQYVJO-UHFFFAOYSA-N 427.052 4.379 5 20 IIBD CN(Cc1nccn1Cc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 437814342 HBNBBWMUTATYAK-UHFFFAOYSA-N 431.399 4.105 5 20 IIBD Cc1ccc([C@@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@@H](C)S(C)(=O)=O)cc1 437872449 GNKGTCXUVMYRSD-QRWLVFNGSA-N 432.542 4.105 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 443419022 OQRIUOZHDHYWBA-UHFFFAOYSA-N 440.783 4.004 5 20 IIBD CN(C)c1nc2ccc(NC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)cc2o1 444238087 NQQHILVDZPPPLO-UHFFFAOYSA-N 434.402 4.419 5 20 IIBD CC(C)[C@H](CC1CCCC1)c1nc(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)no1 445487405 FLOPFCDNFRSYHY-HNNXBMFYSA-N 444.488 4.250 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(/C=C/c3cccc(OC)c3OC(F)F)n2)c1 445583595 OAXZCCUXANLTNA-RMKNXTFCSA-N 433.367 4.358 5 20 IIBD CC(C)(C)c1ccc(-c2nc(CC(=O)NCc3ccc(F)c(F)c3)no2)cc1[N+](=O)[O-] 445701474 FSIQNNWFEZWLCT-UHFFFAOYSA-N 430.411 4.079 5 20 IIBD CN(CC(=O)Nc1cccc(Cl)c1)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] 447687085 BNBCGGTYHCHVBY-UHFFFAOYSA-N 438.740 4.372 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NCC(C)(C)C[C@H](C)O)c([N+](=O)[O-])c1 462880630 ZJZBIXMASRMOLH-INIZCTEOSA-N 435.546 4.019 5 20 IIBD COc1cc(CSc2ncnc3c2cnn3-c2ccc(F)cc2)c([N+](=O)[O-])cc1F 463440212 DNDKMBKPNXHQGL-UHFFFAOYSA-N 429.408 4.303 5 20 IIBD O=C(CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Nc1ccc(Br)cc1 464772839 GYNXNGHTDWEBCQ-UHFFFAOYSA-N 448.317 4.229 5 20 IIBD CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 465253899 AJLJJLBWPFNPAD-UHFFFAOYSA-N 440.477 4.362 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(CNC(=O)c2cccs2)cc1 466284319 AKAIQPVPQRSISW-UHFFFAOYSA-N 429.885 4.170 5 20 IIBD C[C@H](O)C[C@H](CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccccc1 468987416 OFIUZLXBJVMGJO-BBTUJRGHSA-N 448.523 4.447 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC(C)(C)c1c(Cl)cccc1Cl 469132402 NTPWTHUFFDGEGH-AWEZNQCLSA-N 442.347 4.228 5 20 IIBD CC(C)c1ccc(C[C@@H]2CCN(C(=O)c3ccc(N4C(=O)CCC4=O)c([N+](=O)[O-])c3)C2)cc1 469790940 OFQFPPPOHQVSEL-SFHVURJKSA-N 449.507 4.076 5 20 IIBD C[C@H](NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccc(-c2ccncc2)cc1 470478617 XAURGMQXMAXFTD-SFHVURJKSA-N 431.496 4.250 5 20 IIBD CC(C)c1[nH]nc(C(=O)Nc2ccc(OC(F)(F)F)c(Br)c2)c1[N+](=O)[O-] 473336836 AMVGEZAGWCFOQK-UHFFFAOYSA-N 437.172 4.355 5 20 IIBD C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(Br)cn1 477776373 QAZDNZYTADIXKA-SNVBAGLBSA-N 433.287 4.367 5 20 IIBD Cc1ccnc([C@@H](NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C2CC2)n1 478486686 LMBXMCDNTOFRRN-BTYIYWSLSA-N 432.484 4.142 5 20 IIBD O=C1CCc2cc(C(=O)COc3ccc(Cc4ccccc4)cc3[N+](=O)[O-])c(F)cc2N1 481953512 XOGXUGFDFOJXFF-UHFFFAOYSA-N 434.423 4.471 5 20 IIBD Cc1c([C@@H](C)NCc2cccc(OCCN(C)C3CCOCC3)c2)cccc1[N+](=O)[O-] 482257627 DNRLYZNGTKRHKB-LJQANCHMSA-N 427.545 4.244 5 20 IIBD COc1c(C(=O)N2c3ccccc3CC[C@@H]2C(=O)Nc2ccc(F)cc2)cccc1[N+](=O)[O-] 483462113 LLPVYFXCLXUDAD-OAQYLSRUSA-N 449.438 4.343 5 20 IIBD Cc1nn(CCC(=O)N[C@H](C)c2ccc(OCc3ccc(F)cc3)cc2)c(C)c1[N+](=O)[O-] 485606565 ZFZNSPPOCPTFQR-OAHLLOKOSA-N 440.475 4.394 5 20 IIBD CCN(CCCO)[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 489286584 CUTFVHZHCJAELX-HXUWFJFHSA-N 440.525 4.102 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](c2ccccc2C)OC[C@@H]1C 490009639 KUOOAWZLJVRWQB-OXJNMPFZSA-N 430.526 4.244 5 20 IIBD O=C(NCc1ccc(-n2cnc3ccccc32)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 490138620 WKKINXNNACSMNN-UHFFFAOYSA-N 441.491 4.464 5 20 IIBD CC1(C)Cc2c(Br)cccc2[C@H]1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 490422848 MHMWUSYRUKQJFI-QGZVFWFLSA-N 439.331 4.100 5 20 IIBD CCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)[C@H](c1ccc(Cl)cc1)c1ccccn1 497900575 SMICAPQCCGZIAG-JOCHJYFZSA-N 441.919 4.485 5 20 IIBD O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 498061772 VEIVSOSOCKSDJK-UHFFFAOYSA-N 449.216 4.278 5 20 IIBD COc1cccc(Oc2ccc(CNC(=O)c3ccc([N+](=O)[O-])c4cccnc34)cn2)c1 498175782 FJLLCEYYPVMCGZ-UHFFFAOYSA-N 430.420 4.269 5 20 IIBD Cc1ccc(-c2csc(NC(=O)C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)n2)s1 498969061 SLLOOFREDUVUCB-GFCCVEGCSA-N 430.511 4.213 5 20 IIBD O=C(Nc1cccc(CSc2ccccn2)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 499238252 SCBCDYXHEYHFRC-UHFFFAOYSA-N 432.465 4.115 5 20 IIBD C[C@@H](c1ccccc1C(F)(F)F)[C@@H](C)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 499428940 ZKVPVHJTCKXSMR-CHWSQXEVSA-N 438.402 4.236 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C 500435205 IDBUODYKLCVVDF-MSOLQXFVSA-N 443.569 4.068 5 20 IIBD O=C([C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1CC=C(c2cccc3ccccc23)C1 501619812 YDGWYKFIJMMIHE-HXUWFJFHSA-N 447.516 4.340 5 20 IIBD COCC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1)c1ccco1 505019421 UHYCUHCAHDWNBR-LJQANCHMSA-N 426.425 4.496 5 20 IIBD CCOC[C@H]1CCCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 505634223 MSVQIZQKRMUFKU-HNNXBMFYSA-N 445.903 4.389 5 20 IIBD CC(C)N(Cc1ccccc1F)C(=O)c1ccc([N+](=O)[O-])cc1I 509013778 FCUFWXMDLQPRSO-UHFFFAOYSA-N 442.228 4.389 5 20 IIBD C[C@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1cc(F)c(Cl)cc1Cl 514833882 QPWWMSNFYKPIHR-JTQLQIEISA-N 428.247 4.038 5 20 IIBD COc1cccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c1OC 515447165 YIYGSYDYCZNWID-UHFFFAOYSA-N 435.480 4.197 5 20 IIBD COc1cccc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)cc2)c1 516315233 TYKMGFSVLWOIDR-UHFFFAOYSA-N 442.449 4.052 5 20 IIBD Cc1cc(N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c(Br)cc1[N+](=O)[O-] 517792003 YGZBEQNJCWDHPK-GFCCVEGCSA-N 442.335 4.089 5 20 IIBD COc1cc([C@H](C)NC(=O)NCc2ccccc2[N+](=O)[O-])ccc1OCc1ccncc1 518354718 MSFBSFPTJGLZPP-INIZCTEOSA-N 436.468 4.138 5 20 IIBD O=C(COc1ccc(-c2ccccc2)cc1[N+](=O)[O-])NCc1ccccc1Cn1cccn1 518657864 ADJXIIMICWFNKO-UHFFFAOYSA-N 442.475 4.202 5 20 IIBD C[C@H](Nc1ccc(C(=O)N(CCN(C)C)c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 519901340 NMRMJIXIUVEWQB-SFHVURJKSA-N 433.512 4.371 5 20 IIBD COC(=O)c1c(F)cccc1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 520632714 OWXKOYIMPOADIE-UHFFFAOYSA-N 432.351 4.270 5 20 IIBD Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2sc(-c3ccc(F)cc3)nc2C)cc1[N+](=O)[O-] 521558317 DGZDYTLNGNQBCI-LBPRGKRZSA-N 442.472 4.290 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N(CCc1ccc(OC)c(OC)c1)CC(C)C 522456363 RVPFNDYGMNDNFO-UHFFFAOYSA-N 431.489 4.353 5 20 IIBD CCN(CCNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1)C1CC1 523198556 ILJSHMQOKJZFPJ-UHFFFAOYSA-N 433.892 4.263 5 20 IIBD Cc1nn(C)cc1[C@@H](C)NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 524339566 WOUQNJZOIAUFHD-CYBMUJFWSA-N 427.892 4.393 5 20 IIBD COc1cc(C(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)cc([N+](=O)[O-])c1OC 525753277 RTLJVFNSJGWFPD-UHFFFAOYSA-N 425.416 4.162 5 20 IIBD O=C(Nc1cc(-c2nnc3n2CCCCC3)ccc1F)c1c[nH]c2cccc([N+](=O)[O-])c12 534225981 GQEULNROURXOPD-UHFFFAOYSA-N 434.431 4.452 5 20 IIBD CN(C(=O)c1cccn(Cc2ccccc2)c1=O)c1nc(-c2ccccc2[N+](=O)[O-])cs1 537154422 LSJMILAZCINLLL-UHFFFAOYSA-N 446.488 4.205 5 20 IIBD Cc1nn(C)c(Oc2cccnc2)c1NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 537241821 NWXYSKCTGGUWDN-UHFFFAOYSA-N 430.424 4.138 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cc1N1CCCS1(=O)=O 540454244 GHRVEAGFMGZMDN-UHFFFAOYSA-N 449.554 4.196 5 20 IIBD O=C(CCc1ccc2ccccc2c1)NCCCNc1ncnc2ccc([N+](=O)[O-])cc12 540500407 WXOUCZCBGQASMH-UHFFFAOYSA-N 429.480 4.242 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)N1CCCc2ccccc21 540730540 IMOQDCJWJVZAAN-UHFFFAOYSA-N 427.526 4.196 5 20 IIBD Cc1cc(N2CCN(C)CC2)ccc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 542188964 BJQYLARILQJDIT-UHFFFAOYSA-N 434.949 4.039 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] 542279202 NXKROLKFDFGRKW-SJLPKXTDSA-N 427.526 4.459 5 20 IIBD CC(=O)c1cc(Br)ccc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 542347845 DOFHRWCOQJIGQY-UHFFFAOYSA-N 446.301 4.415 5 20 IIBD CCOc1cc(C(=O)Nc2nc(C3CCCC3)c(C(=O)OC)s2)c([N+](=O)[O-])cc1OC 542579242 SOWGSRNHTOODPA-UHFFFAOYSA-N 449.485 4.155 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2CCC3(CCOCC3)[C@H]2C)c([N+](=O)[O-])c1 543450538 KNIVIQBRPLDLFV-MRXNPFEDSA-N 438.480 4.008 5 20 IIBD C[C@@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)Oc1ccccc1Br 543481088 RZDRZFICDMXORG-NWDGAFQWSA-N 425.254 4.184 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NC[C@H](C)c2nccs2)c([N+](=O)[O-])c1 544445629 OKDSGZWEHNIXFR-ZDUSSCGKSA-N 425.466 4.285 5 20 IIBD COc1ccc(-c2nc(C)c([C@@H](C)NS(=O)(=O)c3cccc([N+](=O)[O-])c3)s2)cc1 544839334 WPUCRVVQEOEWCI-CYBMUJFWSA-N 433.511 4.075 5 20 IIBD CC(C)(C)OCCOc1cccc(-c2noc(Cc3ccc([N+](=O)[O-])cc3Cl)n2)n1 545106952 DXTWWESFPGRIPG-UHFFFAOYSA-N 432.864 4.478 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3nc(-c4ccc(CN5CCOCC5)cc4)no3)cs2)cc1 546249820 NCQOMPQIBGNAOS-UHFFFAOYSA-N 449.492 4.268 5 20 IIBD Cc1cnc(O)n1-c1cccc(-c2noc(-c3ccc([N+](=O)[O-])cc3Br)n2)c1 546364582 XDFJKYOTKRLUKN-UHFFFAOYSA-N 442.229 4.274 5 20 IIBD COc1ccc(Cl)cc1N1C[C@H](c2nc(Cc3cccc([N+](=O)[O-])c3C)no2)CC1=O 547189843 GXANXWUSQDCENH-CQSZACIVSA-N 442.859 4.060 5 20 IIBD CCc1nc(C)c(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)o1 552274625 HKLNZCVUHZEJGQ-UHFFFAOYSA-N 445.479 4.165 5 20 IIBD COCCC[C@@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccc(Cl)cc1 552579629 OCFYUCDRFAKZRY-KRWDZBQOSA-N 442.903 4.374 5 20 IIBD CCOC(=O)c1cc(COC)cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 557813415 AJTHHPUIJUNIDD-UHFFFAOYSA-N 444.487 4.117 5 20 IIBD CCOCCOc1ccc(Cl)cc1NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 558487052 ICHJNLYTEMGAIL-UHFFFAOYSA-N 435.864 4.090 5 20 IIBD COc1ccc(CNC(=O)NC[C@@H](OCC2CC2)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 561481892 ZBMPUVUJXAABIQ-HXUWFJFHSA-N 433.892 4.224 5 20 IIBD CC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 571601804 CCYCYWANSAFLDX-KDOFPFPSSA-N 427.448 4.355 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CC2(CCC2)c2cc(Br)ccc21 573161589 ZUUMZWWYNDCUCG-UHFFFAOYSA-N 445.269 4.211 5 20 IIBD Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 580737842 NMFHQHHWGBTNJP-LJQANCHMSA-N 449.429 4.204 5 20 IIBD O=[N+]([O-])c1cc(CN[C@@H]2CS(=O)(=O)c3ccccc32)ccc1Oc1ccc(F)cc1 582378314 YAQDJEIHTJLZPY-GOSISDBHSA-N 428.441 4.144 5 20 IIBD Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NCc3nc(-c4cc5ccccc5o4)cs3)cc21 588021275 XKJNAZBRTHESPE-UHFFFAOYSA-N 435.465 4.267 5 20 IIBD CN1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc([N+](=O)[O-])cc2)CCC3)CC1 590779288 POVTWVBCDZRUIK-HTXNQAPBSA-N 442.519 4.408 5 20 IIBD COc1cc(-c2noc(CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2)cc(Cl)c1OC 604112195 XWAMIMZJQBUTLF-UHFFFAOYSA-N 446.847 4.195 5 20 IIBD C[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(OCC(F)(F)F)cc1 604470227 WMTPBXTXMWSOMK-CYBMUJFWSA-N 434.374 4.213 5 20 IIBD COc1ccc(C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC)c2ccccc2)cc1OC 608948869 KKXQVEADNMQXQZ-HXUWFJFHSA-N 436.464 4.334 5 20 IIBD COC(=O)c1cc(-c2nc(-c3ccc(OCc4cccnc4)cc3)no2)cc([N+](=O)[O-])c1 609475618 NERVXACHZKVDCQ-UHFFFAOYSA-N 432.392 4.072 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OC3CCOCC3)c(C)c2)cc1OC 609980530 NIITVCOAOPCWOL-UHFFFAOYSA-N 430.457 4.121 5 20 IIBD Cc1cccc(NC(=O)N2CCC[C@H](C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)C2)c1 610046767 GODHTIGFNKLKHA-FQEVSTJZSA-N 438.528 4.286 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] 725946309 QWTUIVGTISUDEM-MNOVXSKESA-N 441.267 4.333 5 20 IIBD C[C@@H](OC(=O)c1cc(F)c(Cl)nc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 727520889 JHBCQAGWWYVTNE-ZCFIWIBFSA-N 436.610 4.273 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=S)NCCc1cccs1 727692956 BZZUYBAQEZJERD-UHFFFAOYSA-N 431.543 4.034 5 20 IIBD COC(=O)c1cccn2cc(COC(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)nc12 730042220 YSMHXGCYGZOJEU-UHFFFAOYSA-N 447.403 4.178 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 730246303 URGIZYHKJVSHRL-GJZGRUSLSA-N 437.562 4.227 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2ccccc2OCc2cccs2)c([N+](=O)[O-])c1 730617256 GSKLRTYVOYYZND-UHFFFAOYSA-N 442.449 4.039 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NCc1cccc(-c2cccc(C)c2)c1 731627281 QIMNSEWMTOORFP-UHFFFAOYSA-N 434.448 4.087 5 20 IIBD CCN(CC(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccccc1 731915982 RQFXTJCBYVGYIX-CYBMUJFWSA-N 439.390 4.010 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)n(-c2ccc([N+](=O)[O-])cc2)n1 731963651 LKMSJCYBDCTGTL-UHFFFAOYSA-N 446.217 4.012 5 20 IIBD C[C@H](OC(=O)CNc1cccc(C(F)(F)F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 735934525 UUONJGKSCGWWDK-NSHDSACASA-N 436.346 4.380 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2ccc(Cl)cn2)c2ccccc2)c([N+](=O)[O-])c1 736857500 RZUQQYUFZDKLOZ-LJQANCHMSA-N 425.828 4.488 5 20 IIBD C[C@@H](OC(=O)c1ccccc1Oc1ccccn1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 740999394 ONDWSLLDKJOBIB-CYBMUJFWSA-N 425.372 4.105 5 20 IIBD CCN1CCCC[C@H]1C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 741147957 MRVVMTDEKFPPDN-VQTJNVASSA-N 445.903 4.346 5 20 IIBD CC[C@@](C)(NC(=O)c1ccc(I)c([N+](=O)[O-])c1)c1nc(C)cs1 741617321 YCLYQMOSTZBTDQ-OAHLLOKOSA-N 445.282 4.020 5 20 IIBD O=C(Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cn1)c1ccccc1 742105232 UBUMMSNUGGZFOC-UHFFFAOYSA-N 431.452 4.095 5 20 IIBD C[C@H](Oc1ccc(Cl)c(COC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)n1)c1ccccc1 744290671 JOHCHDOUCODURE-AWEZNQCLSA-N 444.875 4.458 5 20 IIBD C[C@@H](OC(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 745456996 BQESDSAUCVZIQK-CJNGLKHVSA-N 446.460 4.039 5 20 IIBD Cc1cc(N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 747085288 PXKIOYLKKPGZOU-KRWDZBQOSA-N 441.532 4.444 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 747703512 DHMORAICRJLUNZ-UHFFFAOYSA-N 436.917 4.237 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1ccc(OCc2ccccn2)c(F)c1 747818907 SSMLNXHLYQRDDP-CQSZACIVSA-N 440.431 4.156 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)Cc2cccc([N+](=O)[O-])c2C)c(Br)c1 748468122 MIHBFFHLVAKGDR-CYBMUJFWSA-N 435.274 4.087 5 20 IIBD Cc1c(C(=O)Nc2cc(N3CCCC3=O)ccc2Cl)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748618592 JSTVYGMAUFWCFA-UHFFFAOYSA-N 432.820 4.152 5 20 IIBD O=[N+]([O-])c1ccc(NC[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c([N+](=O)[O-])c1 749894172 ZKJCKESFTCSGQV-GOSISDBHSA-N 440.378 4.007 5 20 IIBD Cc1nc(C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)nn1-c1ccccc1C(C)C 750203925 OKTRRXQCOQHPEN-UHFFFAOYSA-N 448.439 4.014 5 20 IIBD O=C(COC(=O)c1c(F)ccc([N+](=O)[O-])c1F)Nc1ccc(Cl)cc1C(F)(F)F 752566377 NTGQPSQRJRTSDR-UHFFFAOYSA-N 438.692 4.341 5 20 IIBD Cc1cc(F)c(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1F 758097470 XKDKNPXQLLEUFA-NSHDSACASA-N 447.419 4.489 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)[C@@H](C)CC(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 759852209 LXYZLMDDNQGFQJ-JSGCOSHPSA-N 432.860 4.336 5 20 IIBD Cc1nn(CCC(=O)Oc2cc(Cl)c(Br)cc2Cl)c(C)c1[N+](=O)[O-] 759856710 GISNIZXYGKVGPR-UHFFFAOYSA-N 437.077 4.473 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)c(Br)c1 761344007 VLJCDWJUFKLDPZ-UHFFFAOYSA-N 440.319 4.148 5 20 IIBD Cc1cc(Br)ccc1Cc1noc(CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 762308016 XKYRHFKJEFQNGF-UHFFFAOYSA-N 447.245 4.333 5 20 IIBD COc1ccc(CN2CCC(CNC3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC2)cc1 765460026 VJFOMKQLWBINPP-UHFFFAOYSA-N 438.572 4.074 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@@H](C)C[C@@H](O)c2ccc(F)cc2)CC1 766716207 BYJOFQWLMISAHA-KSFYIVLOSA-N 429.492 4.212 5 20 IIBD CC(=O)[C@@H](Cc1c(F)cccc1F)OC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 768642343 DWDPGUBGTBTRAT-BBATYDOGSA-N 427.787 4.037 5 20 IIBD CN(Cc1ccc(Br)c([N+](=O)[O-])c1)C1CCN(C(=O)OC(C)(C)C)CC1 768862394 AOJFHDOKZRGTDX-UHFFFAOYSA-N 428.327 4.189 5 20 IIBD O=C(O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1cncc(-c2ccc3c(c2)CCO3)c1 770624092 VVWGRJCQFNRFQE-TZIWHRDSSA-N 434.452 4.129 5 20 IIBD CC(C)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cn1 772405988 JHGHRFOZOKMPFM-NSHDSACASA-N 425.363 4.316 5 20 IIBD O=[N+]([O-])c1ccc([C@@H](O)CS(=O)(=O)Cc2nc(-c3ccccc3Cl)cs2)cc1 774730708 QVYUHZZDOLHTBF-KRWDZBQOSA-N 438.914 4.020 5 20 IIBD CC[C@H](Cc1ccccc1Br)N(C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 775403768 BFYCJCUYSGOOFR-CQSZACIVSA-N 436.262 4.359 5 20 IIBD O=C(CCc1nnc(-c2cc3ccccc3o2)o1)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 778788661 RGWABDGOBDRILI-SFHVURJKSA-N 448.435 4.146 5 20 IIBD CCS(=O)(=O)c1ccc(Br)c(C(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)c1 781615619 UVYXEFMVBOFWOD-LLVKDONJSA-N 442.287 4.069 5 20 IIBD O=C(NCC1(c2ccc(C(F)(F)F)cc2)CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 782156942 GSILJVSTPWURGK-UHFFFAOYSA-N 441.793 4.054 5 20 IIBD C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(N2CCOC2=O)c1 783941731 ZCVNUYCSHQLKPP-LBPRGKRZSA-N 435.889 4.174 5 20 IIBD CCCc1c(C(=O)OCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cnn1C1CCCC1 784847892 OMPDXESORDHORP-UHFFFAOYSA-N 448.907 4.099 5 20 IIBD O=C(O[C@H]1CCO[C@@H](C2CCOCC2)C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 786496669 KYGXLGGIQRNYON-NZQKXSOJSA-N 441.480 4.305 5 20 IIBD COC(=O)c1cc(S(=O)(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)c(Cl)cc1Cl 788846165 LPBIIJSUFNERQE-UHFFFAOYSA-N 433.269 4.106 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1cccnc1F 789007470 KRZBOFVQASPNPN-KRWDZBQOSA-N 429.791 4.319 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Oc2cccc(-c3nccs3)c2)ccc1[N+](=O)[O-] 790872758 YRSYZTMAQLRGDD-LJQANCHMSA-N 437.477 4.237 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC(Oc3ccc(F)nc3)CC2)CC1 791167596 FGCMGZZUDCFTHI-UHFFFAOYSA-N 442.491 4.049 5 20 IIBD CN(C)CC1CCN(c2ccccc2NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 791787237 TZNGSQGKSXIWJH-UHFFFAOYSA-N 448.926 4.347 5 20 IIBD C[C@@H]1CN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](c2cccc(C(F)(F)F)c2)O1 793698634 HSWPGTAFVUAHGX-AUUYWEPGSA-N 447.417 4.292 5 20 IIBD Cn1nc(C(F)F)c2cc(C(=O)O[C@H]3CCN(c4ccc([N+](=O)[O-])cc4F)C3)sc21 796864548 WYBBTZJGDOENRA-JTQLQIEISA-N 440.403 4.055 5 20 IIBD CC1(S(=O)(=O)NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC1 806024980 CIWOAIJWZYRLDB-UHFFFAOYSA-N 426.903 4.012 5 20 IIBD C[C@@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1ccc(SCC(=O)N(C)C)cc1 809071405 XFCJXEHJWGBERH-CQSZACIVSA-N 448.516 4.496 5 20 IIBD CCN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 809811049 BNGDEAOECKVZPA-UHFFFAOYSA-N 435.285 4.134 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccccc1NC(=O)c1cccs1 875255618 BBFUMFHGHRSFPV-UHFFFAOYSA-N 439.449 4.013 5 20 IIBD C[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)c1cccc([N+](=O)[O-])c1 914636335 POEGRGXZIRPUNX-GXTWGEPZSA-N 433.258 4.015 5 20 IIBD Cc1nc(Cc2ccccc2)sc1C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 915250225 SKHZCCGLKAGHSB-UHFFFAOYSA-N 436.449 4.358 5 20 IIBD Cc1sc2nc([C@H](C)OC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)nc(O)c2c1C 915511483 CDKYPQRRPWBKPH-NSHDSACASA-N 439.453 4.026 5 20 IIBD COc1ccccc1-c1cc(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)no1 918156750 XTVIYWSTEFTTPQ-UHFFFAOYSA-N 435.358 4.463 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cccc(-n4ccnc4O)c3)cc2[N+](=O)[O-])C1 919755097 XPAGWFHHOKCSFA-IYBDPMFKSA-N 435.484 4.221 5 20 IIBD C[C@@H](OC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1ccccc1[N+](=O)[O-] 920267859 KXDBJGFIXDYMRY-MRXNPFEDSA-N 429.432 4.271 5 20 IIBD O=C(NCCCc1cccc(C(F)(F)F)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 920423624 YSGMZOWCCSEYEH-UHFFFAOYSA-N 436.434 4.078 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccc(-n2cnc3ccccc32)cc1 921175925 CJPPEOGAFNKDTD-UHFFFAOYSA-N 430.420 4.038 5 20 IIBD CCOC(=O)c1sc2nc(/C(Cl)=C\c3ccc(O)c([N+](=O)[O-])c3)nc(O)c2c1C 1248410923 PVLUHAZMGKCBEI-UXBLZVDNSA-N 435.845 4.233 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)NCc2ccccc2CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] 1319002604 MMTREBAAUCMWIB-MRXNPFEDSA-N 442.516 4.488 5 20 IIBD COc1ccc(-c2ccc([C@@H]3NC(=O)c4cc(Br)ccc4N3)o2)c([N+](=O)[O-])c1 1321776924 RRINIGIFXVVRFT-SFHVURJKSA-N 444.241 4.480 5 20 IIBD COc1ccc2c(c1)c(C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c(C)n2C1CC1 1321983688 LCFYYAIICLJYLD-UHFFFAOYSA-N 437.452 4.305 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(-c3nn(-c4ccccc4F)cc3Br)o2)c1 1326183060 JGWFSNVMZLBWCC-UHFFFAOYSA-N 430.193 4.399 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)O[C@@H]2CCSc3ccccc32)cc1[N+](=O)[O-] 1341378204 ZEIACTUKTOYUDO-OAHLLOKOSA-N 428.495 4.268 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@H]3C[C@@H]3C3CC3)cc2)CCC1)c1ccc(O)c([N+](=O)[O-])c1 1786056783 NBKKILFMVWIWLR-MOPGFXCFSA-N 435.480 4.094 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)Nc1ccc(C2(NC(=O)c3ccc[nH]3)CCC2)cc1 1790772437 PTTYVMJQNXAFFG-UHFFFAOYSA-N 436.443 4.432 5 20 IIBD O=C(/C=C/C1CCCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cc([N+](=O)[O-])ccc1F 1794062039 BGECEZORFROCLH-NWKATUPTSA-N 443.519 4.051 5 20 IIBD Cc1ccsc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1C)C2 1794975141 KMXUBEQZFJUIRJ-MUJYYYPQSA-N 447.944 4.492 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)C2CCCCC2)[nH]n1)c1cccc(F)c1[N+](=O)[O-] 1821170786 ZQNHAEQDPPTGPY-GOSISDBHSA-N 443.479 4.343 5 20 IIBD O=C([C@H](F)c1ccccc1)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823610189 AWVIFVVKEHRQBJ-WIYYLYMNSA-N 443.475 4.132 5 20 IIBD C[C@@]1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)CC=CCC1 1823617051 YHOCHJIAWOFBDB-FDDCHVKYSA-N 429.517 4.168 5 20 IIBD CC(C)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1831382333 RZIKYUMJQQEDPC-FQEVSTJZSA-N 433.524 4.403 5 20 IIBD CCc1ccc(-c2csc(NC(=O)CSc3ccc(C(N)=O)cc3[N+](=O)[O-])n2)cc1 14620829 YQACSQWJZZNVGG-UHFFFAOYSA-N 442.522 4.110 5 20 IIBD CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 18170372 WIMAVBJQPJKVII-UHFFFAOYSA-N 431.659 4.370 5 20 IIBD C[C@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)N[C@H]1CCOc2ccccc21 26580935 KAUPDHXMDSMPFN-YWZLYKJASA-N 445.544 4.207 5 20 IIBD NC(=O)c1ccc(SCC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)c([N+](=O)[O-])c1 36773949 NAAHKZIPUMMSOH-UHFFFAOYSA-N 445.516 4.286 5 20 IIBD C[C@H](Sc1nnc(-c2ccccc2F)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 36803474 RLSUEQNOBLRWCI-JTQLQIEISA-N 435.868 4.302 5 20 IIBD Cc1c(CS(=O)(=O)Cc2nc(-c3cccc(C(F)(F)F)c3)no2)cccc1[N+](=O)[O-] 61796346 UCVKILUOAWRAFH-UHFFFAOYSA-N 441.387 4.087 5 20 IIBD Cc1cccc(C(=O)N[C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)c1[N+](=O)[O-] 62519230 QVSHXJYCDXSUSG-QGZVFWFLSA-N 431.448 4.231 5 20 IIBD COc1cc(OC)cc([C@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)c2nccn2C)c1 111106515 IMRSDECSOXULFD-SFHVURJKSA-N 425.470 4.157 5 20 IIBD Cn1cc(CNC[C@@H]2CCCN(Cc3cccs3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 237766393 QNTIEOHFZCDKGC-KRWDZBQOSA-N 425.558 4.059 5 20 IIBD O=[N+]([O-])c1cnc(N[C@H]2CCN(c3ccccc3OC(F)F)C2)c(Br)c1 301536733 MXCSXYGNCGDUDW-JTQLQIEISA-N 429.221 4.045 5 20 IIBD Cc1cc(Sc2nnc(-c3cnccn3)n2-c2ccc(Cl)cc2)ncc1[N+](=O)[O-] 301723969 SQRIHLRLWNMMLZ-UHFFFAOYSA-N 425.861 4.141 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NCc1ccccc1CN1CC[C@@H](O)C1 302027864 APPFACOREVEMMN-CQSZACIVSA-N 429.826 4.446 5 20 IIBD O=c1[nH]c2ccccc2n1C1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 302192156 ZOSWHTPHUUPYMX-UHFFFAOYSA-N 445.479 4.053 5 20 IIBD COc1ccc(Br)c(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 316924344 DSASBNAXQBIOKP-UHFFFAOYSA-N 430.052 4.381 5 20 IIBD CCCn1nccc1C1CCN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CC1 410268872 ALJYTKFZEUNOPT-UHFFFAOYSA-N 435.322 4.292 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O 429174418 YOMMAIONXZKPQT-UPVQGACJSA-N 443.519 4.428 5 20 IIBD Cn1cc(CN(Cc2ccc(Cl)cc2)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cn1 430272662 YFYSFTQAFZZJMD-UHFFFAOYSA-N 438.875 4.234 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2nnc([C@H]3CCCc4ccccc43)s2)c([N+](=O)[O-])c1 432538638 OJYNMUXBLWLHDL-HNNXBMFYSA-N 430.511 4.024 5 20 IIBD O=C(NCC1CCSCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435479821 DDEUOOVXWHWOLM-UHFFFAOYSA-N 437.568 4.005 5 20 IIBD CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1cccc(OC)c1[N+](=O)[O-] 435623482 VJHNZAXBFGZJGI-UHFFFAOYSA-N 440.283 4.401 5 20 IIBD COc1cc(CCNC(=O)Nc2ccc(OC3CCCC3)c(F)c2)c([N+](=O)[O-])cc1OC 438636640 YYODGCATVKGHPZ-UHFFFAOYSA-N 447.463 4.437 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Br)cc(C(F)(F)F)c2)cc1 438755218 MHDWXWHXELWVCB-UHFFFAOYSA-N 425.182 4.177 5 20 IIBD Cc1c(CC(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)cccc1[N+](=O)[O-] 438920375 PYYJGKXLVJVAJE-UHFFFAOYSA-N 427.464 4.010 5 20 IIBD CN(CC(C)(C)CN1CCOCC1)C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] 442624865 DWJVUGYTJZARPJ-UHFFFAOYSA-N 443.569 4.176 5 20 IIBD COc1ccc([C@@H](CN2CCCC2)NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 444286655 ILRAAHLPSKUVTL-RUZDIDTESA-N 441.531 4.257 5 20 IIBD Cc1cc(-c2noc(-c3ccc(-n4cncn4)c([N+](=O)[O-])c3)n2)cc(C)c1Br 445568991 PCNCDVZQVMTCEW-UHFFFAOYSA-N 441.245 4.272 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3ccc4c(C)nn(-c5ccccc5)c4n3)n2)c1 445578570 HELBGQROPJUDJR-UHFFFAOYSA-N 442.435 4.287 5 20 IIBD CC(=O)Nc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c(Cl)c1 446990615 SDBNVRWOKVYNOR-UHFFFAOYSA-N 437.783 4.026 5 20 IIBD COc1ccccc1[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 447033047 CXHYYSMNEFVTMK-OAHLLOKOSA-N 430.404 4.148 5 20 IIBD CCN(CCc1cccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 461579424 DMRKGQSGQBKMBB-INIZCTEOSA-N 427.530 4.020 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCc1cn2cc(Br)cc(C)c2n1 463961724 QDGAJMHUVANEEI-UHFFFAOYSA-N 446.305 4.294 5 20 IIBD COc1cc(N[C@@H]2CCCN(C(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)C2)cc(OC)c1 463967314 FOJWVNHCQMEMRW-MRXNPFEDSA-N 428.489 4.337 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCc3cc(C(F)(F)F)ccc32)c2ncccc12 464417408 NODBTOKEWMKQAP-UHFFFAOYSA-N 437.399 4.303 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@H](c1cccc(F)c1)C1CCCC1 465259256 MPEAEWGKENTZTI-QFIPXVFZSA-N 441.459 4.470 5 20 IIBD COc1cc(CCNC(=O)N2C[C@H](C)C[C@@H]2c2cccc(F)c2)c([N+](=O)[O-])cc1OC 465619204 OXUQHWVVHIHLPZ-RDTXWAMCSA-N 431.464 4.086 5 20 IIBD O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NCc1ccc([N+](=O)[O-])cc1Cl 466294680 AYOQGWUWRYTILN-NRFANRHFSA-N 437.883 4.426 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCN(C)CC23CCCCC3)cc1[N+](=O)[O-])c1ccccn1 467465507 IGQDJVSGPVEGBS-GOSISDBHSA-N 437.544 4.253 5 20 IIBD COc1cc(C(=O)N2CCCCC[C@H]2CC(=O)c2ccccc2)cc([N+](=O)[O-])c1OC 467537534 XZXRCKNEHLYSCR-SFHVURJKSA-N 426.469 4.270 5 20 IIBD Cc1ccccc1-c1cc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])n(C)n1 470783585 LKEUAOVYCQUXKW-UHFFFAOYSA-N 434.374 4.497 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1 470932832 QWHZPKYCKGNDAW-UHFFFAOYSA-N 440.477 4.220 5 20 IIBD CCOC1CC(CCNc2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccccc2OC)C1 473716238 QLJNSJSITOUFGH-UHFFFAOYSA-N 449.529 4.021 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3cccc(Oc4ccncc4)c3)CC2)ccc1[N+](=O)[O-] 477356317 YOCWOGSJJUJBDT-UHFFFAOYSA-N 448.479 4.143 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 477473317 SQPGJTGOEPVWTQ-OAHLLOKOSA-N 437.283 4.445 5 20 IIBD O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 477880231 PNNCQGLVDIQEHF-SFHVURJKSA-N 428.395 4.189 5 20 IIBD CC(C)(C)NC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 478649693 FNOCGLRYEKGSID-UHFFFAOYSA-N 442.541 4.012 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 479018538 YSBQVYSULPQWKH-UHFFFAOYSA-N 441.431 4.129 5 20 IIBD Cc1c(CNC(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)cccc1[N+](=O)[O-] 480062963 RUEZGYZLLZWPDB-UHFFFAOYSA-N 434.452 4.242 5 20 IIBD Cc1nc(CN2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCC(C)C)CC2)cs1 481601708 YLKUUULYSXRZSU-UHFFFAOYSA-N 434.587 4.066 5 20 IIBD CCN(Cc1ccc2ccccc2c1)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 482383302 HRMKTXDVQHVQEZ-LJQANCHMSA-N 437.521 4.463 5 20 IIBD Cc1c(CNC(=O)C(=O)Nc2ccccc2Oc2cc(F)cc(F)c2)cccc1[N+](=O)[O-] 483821614 QFRRRKVINCYEON-UHFFFAOYSA-N 441.390 4.229 5 20 IIBD CCNC(=O)COc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)c1 484455420 HSAXKHKSFHPTKP-UHFFFAOYSA-N 431.514 4.110 5 20 IIBD COC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccc(C(F)(F)F)cc2)c(C)c([N+](=O)[O-])c1 485934570 NJOHUIMBCUBQOC-LLVKDONJSA-N 426.347 4.115 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1CCN(Cc2cccs2)CC1 486663873 JIOAZCKJCHWTKJ-UHFFFAOYSA-N 449.598 4.037 5 20 IIBD COc1cc([C@H](C)NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)ccc1OC1CCCC1 486889594 XXMFPZDTUFBERZ-ZDUSSCGKSA-N 428.441 4.145 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C 488464661 KGSSCTPETKKDOC-JTDSTZFVSA-N 431.920 4.042 5 20 IIBD CC(C)(C)n1ncnc1CNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 500568600 PBBSVJHOUXWOHZ-UHFFFAOYSA-N 431.500 4.084 5 20 IIBD Cc1cc(C)c(NC(=O)CCC[S@](=O)Cc2cc([N+](=O)[O-])cc3c2OCOC3)c(C)c1 501352250 HIIDQKVLYSENEH-HKBQPEDESA-N 446.525 4.054 5 20 IIBD COc1ccc(Br)c(CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 502784456 NNSZXPFSWXDEGW-NSHDSACASA-N 425.304 4.163 5 20 IIBD CC(C)(C)c1ccc(Oc2ccc(CN3CC[C@@H](S(C)(=O)=O)C3)cc2[N+](=O)[O-])cc1 503067041 ZPLITKSGPKQOCN-LJQANCHMSA-N 432.542 4.304 5 20 IIBD CCOc1cc(NC(=O)N[C@H](C)c2ccc3c(c2)CCC(=O)N3)c([N+](=O)[O-])cc1OCC 504705823 DNEMATMUAZETBZ-CYBMUJFWSA-N 442.472 4.160 5 20 IIBD CSc1ccc(C(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)cc1[N+](=O)[O-] 505793903 DAXSEBYXUVYWOA-UHFFFAOYSA-N 442.541 4.384 5 20 IIBD COc1ccc(-c2nc(C)c([C@@H](C)NS(=O)(=O)c3ccccc3[N+](=O)[O-])s2)cc1 506253230 HLYAPKKLPQGURJ-CYBMUJFWSA-N 433.511 4.075 5 20 IIBD Cc1cccc(N2CCN(C(=O)c3ccc(N[C@H](C)c4ccccn4)c([N+](=O)[O-])c3)CC2)c1 507142375 ILZLMEOWLZLBFK-LJQANCHMSA-N 445.523 4.434 5 20 IIBD COCCOc1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1F 508742780 GPYMMKXBZAAPCM-UHFFFAOYSA-N 431.464 4.248 5 20 IIBD O=C(NCCC(=O)N(Cc1ccccc1)Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 508961864 CMKLLGVVHWVWSY-UHFFFAOYSA-N 435.455 4.083 5 20 IIBD CCCS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 512232406 BYLQQGMVOMFAMG-UHFFFAOYSA-N 445.522 4.463 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 514225331 MXDQUGXAQUGNHM-JOCHJYFZSA-N 447.470 4.367 5 20 IIBD COc1cccc(CCNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1OC 515674604 SZEPAGLDRBLYSC-UHFFFAOYSA-N 444.431 4.082 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccnn1Cc1cccc(Br)c1 515703437 RPHOYHROTDFXAO-UHFFFAOYSA-N 445.273 4.010 5 20 IIBD C[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OCc2cccnc2)cc1 516341923 GAQASUOUMBVDRF-AWEZNQCLSA-N 447.900 4.262 5 20 IIBD O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)c1ccc(Cl)cc1[N+](=O)[O-] 516545270 KTIGXGLVHVQMLO-LBPRGKRZSA-N 438.709 4.267 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(Cc1csc(C)n1)c1ccc(F)cc1 520073393 DHWISDMMNMBKHL-UHFFFAOYSA-N 435.502 4.457 5 20 IIBD O=C(Nc1ccc(-c2nn[nH]n2)cc1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 520506940 QQQRJOHBMRLHGX-UHFFFAOYSA-N 449.858 4.293 5 20 IIBD O=C(CNC(=O)N1CCc2ccccc2C1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 522670244 FNJKYSSIAKAQFL-UHFFFAOYSA-N 446.463 4.094 5 20 IIBD Cc1cc(C)cc(NC(=O)[C@H](C)SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c1 522673182 VCZVMBPTXBYZTM-HNNXBMFYSA-N 429.498 4.270 5 20 IIBD O=C(Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)c1csc([N+](=O)[O-])c1 522681858 PRUOQZBYNAVKFH-UHFFFAOYSA-N 438.433 4.161 5 20 IIBD CC(C)n1c(CCNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])nc2ccccc21 522925863 MOZAKDBAMBRXQM-AWEZNQCLSA-N 430.892 4.305 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCCc1cc(Br)ccc1F 523956035 WAXBZJVSQAOEAM-UHFFFAOYSA-N 445.672 4.278 5 20 IIBD O=C(N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1(Cc2cccc(Cl)c2)CCCC1 525073623 KYANWYWZMCVFGP-GOSISDBHSA-N 428.920 4.459 5 20 IIBD COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 525492920 JSRRWEBIAUSDRA-AWEZNQCLSA-N 448.903 4.369 5 20 IIBD COc1cc(CN[C@@H]2CCO[C@@]3(CCSC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 532675103 SFALJUICCBLMSA-XXBNENTESA-N 444.553 4.327 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CN(CCc3ccccn3)Cc3ccc(F)cc3)n2)c1 533369002 PFRXRGXFRMBGRC-UHFFFAOYSA-N 433.443 4.424 5 20 IIBD CC[C@H](CSc1ccccc1[N+](=O)[O-])Nc1cc(C(=O)N2CCOCC2)ccc1OC 539733612 MFVULUUOVTVZFR-QGZVFWFLSA-N 445.541 4.059 5 20 IIBD COc1cc(CN2CC[C@@H](C)[C@H](n3ccnc3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 539929465 ZSBXKZWEDXJNHC-XMSQKQJNSA-N 436.512 4.462 5 20 IIBD CC[C@@H](c1ccccc1)c1nnc(Sc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])o1 542101946 HGTSSTMMZWTQEQ-NSHDSACASA-N 425.513 4.136 5 20 IIBD COc1cc([C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)C(F)(F)F)cc(OC)c1OC 542714745 UORDYXSJHWCQFT-INIZCTEOSA-N 447.341 4.185 5 20 IIBD CCS[C@@H](C)c1noc(CN(C)C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])n1 543153941 RIZXLDJANAVKHB-JTQLQIEISA-N 430.939 4.196 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CCOCC3(CCOCC3)C2)cc1 543392826 CHRIYSRNBBVHBV-UHFFFAOYSA-N 448.523 4.077 5 20 IIBD COc1ccc(NC(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1[N+](=O)[O-] 543887751 GEYVRWMZUQJDDL-QGZVFWFLSA-N 425.363 4.228 5 20 IIBD CN(Cc1nc(C(F)(F)F)cs1)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 544042788 XZDQUUAHSRBWSF-UHFFFAOYSA-N 425.841 4.474 5 20 IIBD COc1ccc2oc([C@H](C)N[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)c(C)c2c1 544482012 JMLKSXSVISSNDF-UONOGXRCSA-N 427.457 4.344 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCCC[C@@H]2c2nc3ccccc3n2C)c1 544623400 YXPNQXGCTSLXQM-GOSISDBHSA-N 428.514 4.014 5 20 IIBD CCCc1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cnn1-c1cc(C)ccn1 544876288 VCKOTAGNHALKBR-AWEZNQCLSA-N 443.891 4.496 5 20 IIBD CN(C(=O)c1ccncc1)c1ccc(-c2noc(/C=C\c3ccccc3[N+](=O)[O-])n2)cc1 544969076 FNGOECOYSKGHSQ-FLIBITNWSA-N 427.420 4.487 5 20 IIBD COc1cc(Cc2noc(-c3n[nH]c(C(C)C)c3[N+](=O)[O-])n2)ccc1OCC(F)(F)F 545645090 HXRLCCGJPSTGJO-UHFFFAOYSA-N 441.366 4.032 5 20 IIBD C[C@H](c1noc(-c2ccc([N+](=O)[O-])cc2I)n1)c1cccs1 546456522 KLHYHJMVURPIOS-QMMMGPOBSA-N 427.223 4.463 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC)c2cccnc12 546726612 UJUXGYCNRKFNBG-UHFFFAOYSA-N 441.465 4.059 5 20 IIBD COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2I)c2ncccc12 546727556 XIZLFLJJHSUMGA-UHFFFAOYSA-N 449.204 4.009 5 20 IIBD COc1ccc(Cl)cc1N1C[C@@H](c2nc(Cc3cccc([N+](=O)[O-])c3C)no2)CC1=O 547189842 GXANXWUSQDCENH-AWEZNQCLSA-N 442.859 4.060 5 20 IIBD O=C(NC[C@@H](NCc1ccccc1)c1ccco1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 552872492 BJHRSOIVUNOYOZ-HXUWFJFHSA-N 434.496 4.049 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 553039281 KWGBWALMBFLVHU-SFHLNBCPSA-N 435.505 4.363 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)c1 554886139 IOFQAVAIPDRVGT-UHFFFAOYSA-N 429.454 4.387 5 20 IIBD CC(C)(C(=O)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1)c1ccccc1[N+](=O)[O-] 564358447 RMEJSJNJCXAKTA-SFHVURJKSA-N 438.402 4.371 5 20 IIBD COC1(CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCC(c2ccccc2)CC1 565617584 VOVRUGBXVZTPNZ-UHFFFAOYSA-N 448.523 4.468 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC(Nc3cccc(Br)c3)CC2)c1 574534622 IAUGSFMPTWRSBG-UHFFFAOYSA-N 448.317 4.473 5 20 IIBD CN(C(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2)c1ccc([N+](=O)[O-])nc1 578634017 HSPHRAYAYVZAFX-UHFFFAOYSA-N 432.267 4.248 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H](NC[C@H]1CCCOC1)c1ccccc1 579622585 VUQGQQMTGMAGLX-AUUYWEPGSA-N 448.317 4.053 5 20 IIBD COc1ccc([C@@H](Cc2ccccc2)NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 581161407 XYTRKIHISLNBHL-HSZRJFAPSA-N 431.492 4.066 5 20 IIBD CCOc1cc(Cc2noc(COc3ccc([N+](=O)[O-])c(C)c3)n2)ccc1OC(F)F 589102938 FUCNAGZFIJYYLY-UHFFFAOYSA-N 435.383 4.456 5 20 IIBD CCc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cnn1-c1ccc(Br)cc1 603732745 YZFHYROTAYSPOF-UHFFFAOYSA-N 445.273 4.366 5 20 IIBD O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCC[C@@H](OCC(F)(F)F)C1 604176478 PKYKEVZZPYSHFZ-QGZVFWFLSA-N 437.418 4.390 5 20 IIBD O=C(c1cc(N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1[N+](=O)[O-])N1CCCC1 604270904 YCPXIOLOHJFVNS-TXEJJXNPSA-N 439.356 4.398 5 20 IIBD O=C(N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 604509276 QQNXCPGJRUOMOQ-SFHVURJKSA-N 426.375 4.316 5 20 IIBD COc1ccc(C(=O)NCC(=O)Nc2cccc(CCCc3ccccc3)c2)cc1[N+](=O)[O-] 608861506 FPNQJNXZPGPDHG-UHFFFAOYSA-N 447.491 4.147 5 20 IIBD CCOc1ccc(NC(=O)CNc2cc(Br)ccc2Cl)c([N+](=O)[O-])c1 608975294 IOAJPUQCLKHPLU-UHFFFAOYSA-N 428.670 4.460 5 20 IIBD O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N(Cc1ccc2c(c1)OCO2)C1CCCCC1 609115894 GAHRMGNJJNWFGR-UHFFFAOYSA-N 426.425 4.027 5 20 IIBD O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 609182293 ICULOXPZPLMNLT-OAQYLSRUSA-N 444.919 4.095 5 20 IIBD COCc1cccc2sc(NC(=O)CSCc3ccc(OC)c([N+](=O)[O-])c3)nc12 609186480 ACAMDBKLBSPSDE-UHFFFAOYSA-N 433.511 4.231 5 20 IIBD Cc1cccc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)cn2)c1C 609652339 PAWHVVHZSNSSDW-UHFFFAOYSA-N 441.465 4.055 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1CCCN(Cc2cccs2)C1 609730657 CUCBUAISYWGYQQ-HNNXBMFYSA-N 437.949 4.107 5 20 IIBD O=C([C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)N1CCc2c1cccc2[N+](=O)[O-] 609973617 YYRYIEFYTXSEAY-SFHVURJKSA-N 434.279 4.096 5 20 IIBD O=C(NCCc1ccc(F)c(Br)c1)c1ccc([N+](=O)[O-])cc1Br 610041541 GPEYNKYICQURPZ-UHFFFAOYSA-N 446.070 4.231 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CC[C@@H](N(C)Cc4ccccc4)C3)cc2[N+](=O)[O-])CC1 610297217 UTPMOIAPGLGEOI-JOCHJYFZSA-N 436.556 4.178 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCc2[nH]c3ccc(Br)cc3c2C1 610665542 PDFXJEZEGMBHMV-UHFFFAOYSA-N 428.286 4.356 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 617761752 KSVGNVWDAURBCG-UZUQRXQVSA-N 448.523 4.160 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(Br)c2ccccc12 619467746 AKPUHTPOMAJIGX-UHFFFAOYSA-N 437.271 4.320 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H](Cn2cnc3ccccc32)C1 619544279 DFIYATPAOFWKGI-CVEARBPZSA-N 442.903 4.304 5 20 IIBD CN1C(=O)COc2cc(NC(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)ccc21 619608754 WOSLNFLPQFZKBL-UHFFFAOYSA-N 435.461 4.354 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OCc2csc(C(C)(C)C)n2)ccc1[N+](=O)[O-] 726674690 MMPORSJZLJVKRU-QGZVFWFLSA-N 431.514 4.005 5 20 IIBD CC(C)Oc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cc1 727330019 VVLNVTXZTYHKKS-UHFFFAOYSA-N 437.418 4.363 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCO[C@@H](c3ccccc3F)C2)CC1 727395222 KGUHPZLZNMWAEH-JOCHJYFZSA-N 427.476 4.184 5 20 IIBD COc1ccc(CC(=O)OCc2csc(N(C(C)=O)c3ccccc3)n2)cc1[N+](=O)[O-] 727882298 FCLKRNFCAHNIKK-UHFFFAOYSA-N 441.465 4.030 5 20 IIBD O=C(Cc1coc2cc3c(cc12)CCC3)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 729192545 KHRYHVWNRLUOTQ-UHFFFAOYSA-N 435.480 4.227 5 20 IIBD CC[C@H](C)[C@H](C)N(C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C1CC1 729442820 VTPUPZWZYHHHMY-HOTGVXAUSA-N 446.525 4.402 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 730246302 URGIZYHKJVSHRL-CABCVRRESA-N 437.562 4.227 5 20 IIBD COC(=O)c1cc(-c2nc([C@H](CC(C)C)NC(=O)OC(C)(C)C)no2)cc([N+](=O)[O-])c1 731798997 WNCIWOWUXINTOJ-HNNXBMFYSA-N 434.449 4.043 5 20 IIBD COC(=O)CCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 732743468 AROHLEJFIKPYKP-UHFFFAOYSA-N 441.484 4.169 5 20 IIBD CCc1ccc(OC(=O)CSCc2nc(O)c3c4c(sc3n2)CCC4)c([N+](=O)[O-])c1 734739229 AWQBEXIVBSQXBC-UHFFFAOYSA-N 445.522 4.195 5 20 IIBD COc1cc(C(=O)OCc2cc([N+](=O)[O-])ccc2Cl)c([N+](=O)[O-])cc1OC(F)F 734780921 XJAJDKSUYJVVMG-UHFFFAOYSA-N 432.719 4.123 5 20 IIBD O=C(COC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 734917061 LRQYCGHFKNDXDB-GHMZBOCLSA-N 444.312 4.177 5 20 IIBD O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1cc2c(ccc3ccccc32)[nH]1 735331071 XLPFKXUTDIUQIA-UHFFFAOYSA-N 431.404 4.384 5 20 IIBD C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1cccc(Cl)c1Cl 735459326 PKFQCCCAQPDIOI-MNOVXSKESA-N 440.258 4.271 5 20 IIBD O=C(CC1(O)CCCC1)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 735955719 CDWANJRAFDPGBE-LJQANCHMSA-N 432.860 4.166 5 20 IIBD O=[N+]([O-])c1ccc(NCCO)c(NCc2ncc(-c3ccccc3Br)o2)c1 742256948 OGPMVGCNOCTTIS-UHFFFAOYSA-N 433.262 4.029 5 20 IIBD C[C@@H]1C[C@@H](c2cccc(F)c2)N(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)C1 742419068 QOBWZRKWBUFFMW-QRWLVFNGSA-N 433.505 4.106 5 20 IIBD C[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 742517387 MLRMACZJZUROAP-QRWLVFNGSA-N 425.485 4.386 5 20 IIBD CC(C)(CCC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)NC(=O)OC(C)(C)C 742873939 XOMPFBJJCYJWLQ-UHFFFAOYSA-N 435.521 4.048 5 20 IIBD C[C@@H](OC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(=O)Nc1ccc(Cl)c(Cl)c1 744733319 CFFJGSONIIEINH-LLVKDONJSA-N 449.250 4.271 5 20 IIBD C[C@@H](OC(=O)C(C)(C)c1ccc(Br)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 744757480 OTDLZIDHYSOUAA-GFCCVEGCSA-N 435.274 4.205 5 20 IIBD COc1ccc(-c2ncc(C(=O)O[C@@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)s2)cc1 745559745 XIXUGDDZNDZMDE-NSHDSACASA-N 445.428 4.050 5 20 IIBD C[C@H](OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)Nc1cccc2ncccc12 747126213 UAJUSIPBOBMLGN-NSHDSACASA-N 433.342 4.346 5 20 IIBD CC(C)c1nc(C(=O)OCCN(C)c2ccc([N+](=O)[O-])cc2)nn1-c1ccccc1Cl 748488847 IMGBXSPOFTZZCP-UHFFFAOYSA-N 443.891 4.246 5 20 IIBD COc1cc(C(=O)OCc2ccnc(Cl)c2)c([N+](=O)[O-])cc1OCc1cscn1 750629628 GBFOPDAHPCYCPC-UHFFFAOYSA-N 435.845 4.044 5 20 IIBD O=C(NCCOc1ccccc1Cl)c1cc(Br)cc([N+](=O)[O-])c1Cl 752397014 VYUUSQTVROZHHU-UHFFFAOYSA-N 434.073 4.473 5 20 IIBD O=C(NC[C@H](O)c1ccc2ccccc2c1)c1cc(F)cc([N+](=O)[O-])c1Br 754636982 UQTIRRIFBCCKRA-KRWDZBQOSA-N 433.233 4.113 5 20 IIBD COC[C@@H](C)n1c(C)cc(C(=O)COC(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c1C 754989003 ZANTUACLZZEURB-LLVKDONJSA-N 426.828 4.053 5 20 IIBD Cc1ccc(OC(=O)CCC[S@](=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 755251414 XPSAWOJXYFIYBL-VWLOTQADSA-N 426.288 4.159 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1cccc([N+](=O)[O-])c1 755268843 VQYSJKMHLCULRQ-PMACEKPBSA-N 431.533 4.308 5 20 IIBD C[C@H](CCCC(F)(F)F)NC(=O)c1ccc(I)c([N+](=O)[O-])c1 756796334 ZNVAXLPZJUQRKY-MRVPVSSYSA-N 430.164 4.050 5 20 IIBD Cc1c(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cnc(Cl)c1Br 759276815 CUCXJFKYMVEESG-UHFFFAOYSA-N 436.653 4.152 5 20 IIBD C[C@H](C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cccc([N+](=O)[O-])c1 761429236 VAYKARPEIQXBDU-AWEZNQCLSA-N 435.392 4.464 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 765033858 RIMIZWPZADWSSL-QRQLOZEOSA-N 433.549 4.315 5 20 IIBD O=C(OCc1ccc(Oc2ccccc2)nn1)c1cc(Br)cc([N+](=O)[O-])c1 766120040 JMOSQHKKPRYNGN-UHFFFAOYSA-N 430.214 4.297 5 20 IIBD CCc1nn(C)c(Cl)c1C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 767202988 SYLICMLQHMPAOK-UHFFFAOYSA-N 428.832 4.016 5 20 IIBD CC[C@@H](C)c1ccc(N(CCC2OCCO2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 767533322 DKBUPKBSUHMHEP-MRXNPFEDSA-N 434.514 4.067 5 20 IIBD CCOc1cc(C(=O)NC[C@@H](O)c2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])cc1OC 768558127 PJJINBDVGVBPHA-OAQYLSRUSA-N 436.464 4.133 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1 769943809 QRWJHSMHMSTUMI-INIZCTEOSA-N 429.492 4.111 5 20 IIBD CNC(=O)CCOc1ccc(NCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)cc1 770565031 YZSKFHAFBCSCQP-UHFFFAOYSA-N 434.496 4.490 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2cc(F)c(F)cc2Br)cc1[N+](=O)[O-] 771604388 YYYHPFSQSWNMIU-UHFFFAOYSA-N 441.637 4.398 5 20 IIBD Cc1ncc(CCNc2ccc([N+](=O)[O-])c(NCCc3cnc(C)s3)c2[N+](=O)[O-])s1 771926007 FMEVNVDHHDBWJA-UHFFFAOYSA-N 448.530 4.342 5 20 IIBD COc1ccccc1OCC(=O)O[C@H](c1ccc(Br)cc1)C(C)(C)[N+](=O)[O-] 774375271 PMAUPOCUCVKUBZ-GOSISDBHSA-N 438.274 4.176 5 20 IIBD O=C(Cc1csc(-c2cccc(F)c2)n1)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 778785669 AJZZFQQHHBCJSP-LJQANCHMSA-N 427.457 4.222 5 20 IIBD C[C@@H](OC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C(=O)Nc1ccccc1Cc1ccccc1 778897302 XBECZTYYJZFRGB-OAHLLOKOSA-N 448.431 4.098 5 20 IIBD CCOc1cc(NC(=O)N[C@@H]2CCCc3cn(C(C)C)nc32)c([N+](=O)[O-])cc1OCC 780418306 VHRBKNKPMDPONF-OAHLLOKOSA-N 431.493 4.369 5 20 IIBD CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1C 781259523 FVOSCJHVUQUKBQ-OAHLLOKOSA-N 430.460 4.257 5 20 IIBD O=C(Nc1cccc(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c1)c1cccs1 781597179 GRXBHONTINQSPA-SFHVURJKSA-N 436.449 4.040 5 20 IIBD CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2Br)c1 782167179 NMMPEGHGUJDPJO-GFCCVEGCSA-N 434.290 4.272 5 20 IIBD CC[C@H](C)N(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1nc(O)c2ccccc2n1 782512209 CNIBQGGXKXLQJN-AWEZNQCLSA-N 441.463 4.012 5 20 IIBD Cc1cc(Br)c(NC(=O)C(=O)NCc2csc3ccccc23)cc1[N+](=O)[O-] 784630739 RAYACECLMXURCY-UHFFFAOYSA-N 448.298 4.135 5 20 IIBD C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1cccc(C(F)(F)F)c1 786748977 TUFUDBJKBMFHGT-VIFPVBQESA-N 436.795 4.068 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)Cc1ccc(Br)c(Cl)c1 787825686 ZGOQYOOPZMZPGF-UHFFFAOYSA-N 441.665 4.044 5 20 IIBD COc1ccccc1-c1nc(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)no1 791161741 TWSYETAEIFVJSE-UHFFFAOYSA-N 442.859 4.327 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 791354226 XOBMTZWAERBZQP-UHFFFAOYSA-N 445.454 4.158 5 20 IIBD CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]2CCCC[C@H]21 792870070 HLMBYFTWGQXVQT-GYWCDFCBSA-N 432.521 4.187 5 20 IIBD O=C(Cc1noc(-c2cc([N+](=O)[O-])ccc2N2CCCC2)n1)Nc1ccccc1Cl 795696533 HUQVELXQFWRYJW-UHFFFAOYSA-N 427.848 4.080 5 20 IIBD CC(C)(C(=O)OCC(=O)Nc1ccc(OC(F)F)c(Cl)c1)c1ccccc1[N+](=O)[O-] 796445221 MFPPMSPHRHOUFQ-UHFFFAOYSA-N 442.802 4.309 5 20 IIBD C[C@H](OC(=O)[C@@H](C)[C@H]1OCCc2sccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 796479449 DFMLWSHGJBGXBL-PSVSLLHZSA-N 438.889 4.130 5 20 IIBD CCc1onc(-c2ccccc2)c1C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 796700950 SKUBTJALCVVHRV-KRWDZBQOSA-N 449.463 4.274 5 20 IIBD COc1ccc(-c2nc(/C=C3\N=C(c4ccc(OC)c([N+](=O)[O-])c4)OC3=O)cs2)cc1 796734555 NRGVRAFRSRLZDT-YBEGLDIGSA-N 437.433 4.080 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)c1=S 799157061 NYZXCAFIBRPXGI-NMLACTOBSA-N 445.589 4.228 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(C)[C@@H](C)c1cccc(C(F)(F)F)c1 800602510 SZMOXMUHWLDBCE-NSHDSACASA-N 427.354 4.219 5 20 IIBD O=C(Nc1ccc(-c2ccc(Cl)s2)nc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 801098857 NFDRCEFQUXEYOH-UHFFFAOYSA-N 444.900 4.461 5 20 IIBD CCN(CC)Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 801428394 YAIKKGYAWSCFAK-AWEZNQCLSA-N 433.892 4.274 5 20 IIBD COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(Cc2ccc(F)cc2)CC1 802474897 UXAAFTBRVFOKTE-UHFFFAOYSA-N 439.491 4.098 5 20 IIBD C[C@@]1(C2CC2)NC(=O)N(c2cccc(CNc3nc4ccc([N+](=O)[O-])cc4s3)c2)C1=O 804700294 WYHYRNQZJKVIHA-NRFANRHFSA-N 437.481 4.042 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H](c1ccccc1)N1CCCCC1=O 815207309 BDXQFXXRVOVPBX-IBGZPJMESA-N 436.386 4.411 5 20 IIBD CCOc1ccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)cc1[N+](=O)[O-] 816846734 IMDJKFAVLYEULZ-INIZCTEOSA-N 433.505 4.046 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 912999553 PTEKDQODCVWAIV-UHFFFAOYSA-N 427.342 4.241 5 20 IIBD Cc1ccc(-c2cc(C(=O)Oc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)n[nH]2)o1 916954164 ZXVHAMJFIMTPNQ-UHFFFAOYSA-N 432.392 4.358 5 20 IIBD C[C@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1 917329535 JAGVCABCVYDQEM-JTQLQIEISA-N 437.330 4.159 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1Br 917870178 MZIBOWYUCKGHDO-HNNXBMFYSA-N 429.267 4.022 5 20 IIBD CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)Oc3ccc([N+](=O)[O-])cc3F)cc2)cc1 917902074 JUQAJXRQHFTUCC-UHFFFAOYSA-N 430.413 4.127 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] 919225224 WQUJUYGLCJQFHT-JTQLQIEISA-N 441.318 4.014 5 20 IIBD CC(C)[C@H](OC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1F 920776946 CAEHAOGATSYLSS-XIKOKIGWSA-N 438.839 4.361 5 20 IIBD CC(=O)N(c1nnc(SCc2ccc([N+](=O)[O-])cc2Br)s1)C1CC1 1116672307 VLLBFGCHHMVQCF-UHFFFAOYSA-N 429.321 4.016 5 20 IIBD O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCC(Nc3ccccc3Cl)CC2)c1 1117108741 CBENXOCRBCBRBY-UHFFFAOYSA-N 448.303 4.306 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1Br)c1ccc([N+](=O)[O-])c2cccnc12 1320492381 SLVJDJKOTXZRCV-UHFFFAOYSA-N 432.186 4.171 5 20 IIBD C[C@H](OC(=O)[C@@H](C)OC1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1320892419 QEJFNBLLQGTEDW-NWDGAFQWSA-N 432.395 4.222 5 20 IIBD CN(Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@@H]1CCCC[C@H]1S(C)(=O)=O 1324745668 DOJQTNSMWBFRBQ-VQIMIIECSA-N 426.922 4.296 5 20 IIBD CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1c1nnc(COc2ccccc2[N+](=O)[O-])o1 1326073749 ZUXNAEKPWMUUKQ-BEFAXECRSA-N 436.468 4.229 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)Cc2c[nH]c3cnccc23)c2ccccc2)c([N+](=O)[O-])c1 1327789390 PPPBZQKKARGSQM-QHCPKHFHSA-N 444.447 4.245 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1cc(C)c(Cl)cc1C(C)C 1343413309 DYGXYJRYXMOLNM-UHFFFAOYSA-N 427.862 4.234 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@H]3CNc4ccccc43)CCC2)cc1)c1ccc([N+](=O)[O-])o1 1785747761 KEOMLPVIRFLOIQ-SFHVURJKSA-N 446.463 4.145 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@@H]3C3CC3)cc2)CCC1 1786057567 VUIYUCLDKZDOLH-UXHICEINSA-N 449.507 4.403 5 20 IIBD CC(C)c1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])o4)CCC3)cc2)on1 1790161073 RMMROMBHZKROGC-UHFFFAOYSA-N 438.440 4.361 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCCC2(CCN(C(=O)c3cc(F)ccc3Cl)CC2)C1 1804650971 CDKCPRAYRNIVPL-UHFFFAOYSA-N 449.866 4.139 5 20 IIBD CC(C)c1ccccc1NC(=O)COC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 5969013 PCQWGTSYNFZUOM-UHFFFAOYSA-N 425.485 4.117 5 20 IIBD Cc1cc(C)n(-c2ccc(C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2)n1 8711147 WLNQGEPQOFILRV-AWEZNQCLSA-N 442.859 4.235 5 20 IIBD O=C(CN(Cc1ccco1)Cc1ccco1)Nc1ccc([N+](=O)[O-])cc1Br 15448428 BTIYXXJLQVIYNC-UHFFFAOYSA-N 434.246 4.184 5 20 IIBD COc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3c[nH]c4ccccc34)o2)c([N+](=O)[O-])c1 16753216 AXHMRKOOOZYAIH-NSHDSACASA-N 439.453 4.254 5 20 IIBD CC(C)(C)c1ccc(C(=O)OCC(=O)NCCc2nc3ccccc3s2)cc1[N+](=O)[O-] 17748573 VHEGHPQMOCEVCU-UHFFFAOYSA-N 441.509 4.018 5 20 IIBD CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1cc(SC)ccc1[N+](=O)[O-] 18186214 RPNICHNPIGHBJN-UHFFFAOYSA-N 446.916 4.259 5 20 IIBD COc1ccccc1Oc1ccc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 26887816 STDQQJAFAOLWIR-UHFFFAOYSA-N 435.436 4.154 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 31305186 LLTCLDHANQAWGP-UHFFFAOYSA-N 434.283 4.274 5 20 IIBD O=C(Nc1ccc(Br)cc1)c1cc([N+](=O)[O-])ccc1I 31663116 QPEKELHUFYOJSX-UHFFFAOYSA-N 447.026 4.214 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)cc1[N+](=O)[O-] 60738730 HSPWKODPKFZWRP-UHFFFAOYSA-N 442.428 4.087 5 20 IIBD O=C(Nc1ccccc1)c1cccc(Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)c1 60825321 OZCYUCBWTZMCOD-UHFFFAOYSA-N 426.432 4.119 5 20 IIBD Cc1c(C(F)(F)F)n[nH]c1NC(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 64038990 XSNMHBDGXQNKIZ-PHIMTYICSA-N 425.411 4.380 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)cc([N+](=O)[O-])c1 409982463 URCLQFMDKDKRIM-OAHLLOKOSA-N 437.452 4.319 5 20 IIBD O=C(NCCc1nc2ccc(F)cc2[nH]1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 426682897 MTLWNOQXSMUCPK-UHFFFAOYSA-N 434.427 4.162 5 20 IIBD O=C(O)[C@H](Cc1ccccc1[N+](=O)[O-])NCc1ccc(-c2cccc(Br)c2)o1 426806388 BURFRJUTJXQLJC-KRWDZBQOSA-N 445.269 4.403 5 20 IIBD COc1cc(S(=O)(=O)Nc2cccc(-c3ccc(F)cc3Cl)n2)ccc1[N+](=O)[O-] 427642069 MZGJZZNUEKTCSB-UHFFFAOYSA-N 437.836 4.259 5 20 IIBD O=C(NCc1ccnc(OCc2ccccc2)c1)c1ccc(Br)cc1[N+](=O)[O-] 430595865 ISBPNEYTUWDIEV-UHFFFAOYSA-N 442.269 4.261 5 20 IIBD CCn1nccc1C1CCN(C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)CC1 434005754 IZLZCAXELZRZPF-KRWDZBQOSA-N 425.533 4.067 5 20 IIBD O=C(CN1C(=O)c2ccccc2C1=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435445504 WKYQRELGHMLCGF-UHFFFAOYSA-N 439.474 4.042 5 20 IIBD C[C@@H]1CCCN(CCCCNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 436095499 AZINRIMDLYGTJI-OAHLLOKOSA-N 427.495 4.201 5 20 IIBD O=C(Nc1ccc(I)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437546097 LNKSPPQVXVUNRW-UHFFFAOYSA-N 437.237 4.396 5 20 IIBD O=C(Nc1ccc(OC2CCCC2)c(F)c1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 438645836 KQWXCNWNIHNKLU-UHFFFAOYSA-N 428.464 4.409 5 20 IIBD CCOC(=O)c1ccnc(N[C@H](c2ccc(OC)cc2)c2ccccc2OC)c1[N+](=O)[O-] 443883539 WIDWLGHCNNGTAZ-HXUWFJFHSA-N 437.452 4.385 5 20 IIBD O=C(NCC1CCN(c2ccncc2)CC1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 444293872 VGXIHKRFRJLZKT-UHFFFAOYSA-N 448.473 4.001 5 20 IIBD Cc1nc(CNC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)oc1-c1ccc(Cl)cc1 445210298 IDUKETXXVVPPAW-UHFFFAOYSA-N 440.847 4.087 5 20 IIBD O=C(Cc1noc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n1)Nc1cccc2ccccc12 445330080 FBGSNOQYUBUUOI-UHFFFAOYSA-N 427.420 4.384 5 20 IIBD CSc1cccnc1-c1noc(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 445609967 ZKXFFZUYMLSSLB-UHFFFAOYSA-N 425.392 4.435 5 20 IIBD O=C([C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 446425210 JDXBIELWGXZEIZ-LJQANCHMSA-N 448.306 4.091 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@H]1CCOc2ccc(Br)cc21 446491461 YFOOHXYYKRBSBD-HNNXBMFYSA-N 436.262 4.353 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3cccn(Cc4ccccc4)c3=O)cc2[N+](=O)[O-])CC1 446507138 JAWVHIIJILBMAC-UHFFFAOYSA-N 446.507 4.293 5 20 IIBD O=C(NCc1ccc(F)cc1)c1ccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 446830485 SRUXYRXLRDTOPL-UHFFFAOYSA-N 448.454 4.254 5 20 IIBD O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2cn(-c3ccccc3)nc2-c2ccncc2)n1 447542763 QAVBTJDVVZBHRO-YADHBBJMSA-N 443.511 4.313 5 20 IIBD CCn1c(-c2cc(F)ccc2Br)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 460197092 NXIAEMPVDNVUFG-UHFFFAOYSA-N 446.280 4.338 5 20 IIBD COc1ccc(NC(=O)c2c(Cl)cccc2I)cc1[N+](=O)[O-] 464171095 ZHHZPXQJYUTPLC-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD C[C@H](NCc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O)c1cccc([N+](=O)[O-])c1 467871727 OUFZMLPEFCDGNE-KRWDZBQOSA-N 436.512 4.200 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)N(Cc2cccc(Br)c2)C2CCOCC2)c1 468160316 QMPWSFLYYZRZCY-UHFFFAOYSA-N 433.302 4.487 5 20 IIBD CC(C)(C)OC1CCN(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 469049486 QKNPMIVBQNDCNL-UHFFFAOYSA-N 432.443 4.015 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccccc3O[C@@H]3CCOC3)cc2[N+](=O)[O-])C1 470767355 UTEYZPXIBYICLM-ZIFCJYIRSA-N 439.512 4.497 5 20 IIBD O=C(COc1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@H]1c1ccc2c(c1)OCCCO2 471286453 JRCXPBMRYPZDOR-INIZCTEOSA-N 432.860 4.152 5 20 IIBD O=C(Nc1ccc(OCc2ccccn2)c(F)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 471578541 PZUAFALGMWQYLP-UHFFFAOYSA-N 433.399 4.146 5 20 IIBD CCOC(=O)c1cc(C(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)cc([N+](=O)[O-])c1 472280483 XWZRDKMYOORMGQ-HXUWFJFHSA-N 439.855 4.339 5 20 IIBD COc1cc(CNCc2ncnn2-c2ccccc2)c([N+](=O)[O-])cc1OCc1ccccc1 475286379 QNMPVWHYXGNTOS-UHFFFAOYSA-N 445.479 4.053 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C 475582309 MNXAJLGQCSJUMY-SFHVURJKSA-N 426.473 4.164 5 20 IIBD O=C(N[C@@H]1CCCc2ccc(F)cc21)c1ccc([N+](=O)[O-])cc1I 477485036 ZTDCLZBCIFXZML-MRXNPFEDSA-N 440.212 4.146 5 20 IIBD COC(=O)Cc1sc(NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)nc1-c1ccccc1 479654695 YAYMBPWYCJNYBP-UHFFFAOYSA-N 441.465 4.003 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NCc1cccc([N+](=O)[O-])c1C 479727208 ZCRRXFZUXSHNDE-ACJLOTCBSA-N 436.306 4.241 5 20 IIBD O=C(NCCOCC(F)(F)F)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 481831502 PPLPPWFEUVCQEX-UHFFFAOYSA-N 431.798 4.169 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 482136908 CPHIQRVDVGQZEL-ZDUSSCGKSA-N 425.411 4.375 5 20 IIBD COc1cc(C(=O)Nc2cc(C)cc(Br)c2O)c([N+](=O)[O-])cc1OC(F)F 482610331 VRIURCDTPBVTMA-UHFFFAOYSA-N 447.188 4.234 5 20 IIBD Cc1nc2ccccc2n1C1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 482894134 WPEGINYOIGSHJR-UHFFFAOYSA-N 427.892 4.182 5 20 IIBD CC(C)Oc1cc(F)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 484260083 XQXRTUSWUZFIBP-UHFFFAOYSA-N 433.255 4.084 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC2(CCN(Cc3ccccc3)C2)CC1 485459364 ZMUROERVHGXNLS-UHFFFAOYSA-N 445.466 4.325 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](COCc2ccccc2)C1 485510780 UYDDXPLVIRYNLQ-SFHVURJKSA-N 430.526 4.012 5 20 IIBD O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 486659677 BMYIMFHECYVHNN-UHFFFAOYSA-N 432.440 4.469 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[S@](=O)C2CCOCC2)c1 486752588 LKRKQAMFNVXXAA-PMERELPUSA-N 448.566 4.387 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCC[C@@H](Oc3ccccc3Cl)C2)c(C)c([N+](=O)[O-])c1 486902036 VILOJLKDEUWUET-OAHLLOKOSA-N 447.875 4.419 5 20 IIBD Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 486998746 MXCVPTCGWKTUQZ-UHFFFAOYSA-N 431.905 4.354 5 20 IIBD Cc1ccc([C@H](C)NC(=O)c2cc(F)ccc2I)cc1[N+](=O)[O-] 488064261 BAWNUNPKBZODLH-JTQLQIEISA-N 428.201 4.138 5 20 IIBD Cc1ccc([C@H](C)NC(=O)[C@H]2CCCN(c3ncnc4sccc34)C2)cc1[N+](=O)[O-] 488080463 VEIWWUOQWSUMCZ-HOCLYGCPSA-N 425.514 4.002 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)c2cccc(NC(=O)[C@@H]3Cc4ccccc4O3)c2)cc1[N+](=O)[O-] 488090924 LOBLNPAWZGBHRE-MWTRTKDXSA-N 445.475 4.336 5 20 IIBD CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1ccc(Sc3ccc([N+](=O)[O-])cc3)cc1)CC2 488225202 BSTRFOHITFJVFV-SFTDATJTSA-N 442.537 4.138 5 20 IIBD Cc1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1C(=O)N(C)C(C)C 488227900 FIWDUJAVVRTXAN-UHFFFAOYSA-N 438.528 4.239 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1 489967515 SQOQLBHISKDICA-VIFPVBQESA-N 435.449 4.300 5 20 IIBD O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)NCCn1cc([N+](=O)[O-])cn1 491040703 WDKOLFBVFDAYGS-HXUWFJFHSA-N 430.917 4.084 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Nc2cccc(C(=O)OC)c2)CC1 493277504 FCCNSODUTAVDQE-UHFFFAOYSA-N 443.525 4.210 5 20 IIBD Cc1nc(-c2ccc([C@@H](C)NC(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)cc2)cs1 494691709 QWEZQNMNSIYLSL-CQSZACIVSA-N 440.529 4.331 5 20 IIBD O=C(Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)c1)c1cccs1 498039062 SGAYHNOPVULKQJ-UHFFFAOYSA-N 443.506 4.245 5 20 IIBD CCCN(C(=O)c1cc(OC)c(OCCOC)cc1[N+](=O)[O-])[C@H]1CCc2ccccc21 500010725 UEPQHSMZXAMHAC-IBGZPJMESA-N 428.485 4.168 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(CN3CCC[C@H](C)C3)cc2)cc1OC 500794130 KIYBKFKULIWQJB-INIZCTEOSA-N 427.501 4.486 5 20 IIBD C[C@H](NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)c1ccc2c(c1)CC(=O)N2 501038926 ZMDOMELCJQDALB-OAGGEKHMSA-N 436.512 4.063 5 20 IIBD COc1cc(CNc2ccc(C(=O)NC(C)(C)C)cc2)c([N+](=O)[O-])cc1OCC(F)F 502612063 CLQLQCRDYHSHRV-UHFFFAOYSA-N 437.443 4.388 5 20 IIBD CCSc1ccc([C@@H](C)Nc2ccc(C(=O)N[C@H](C)C(=O)OC)cc2[N+](=O)[O-])cc1 505604046 DBMRZZCPLRAMMI-ZIAGYGMSSA-N 431.514 4.171 5 20 IIBD Cc1cc([C@H](C)NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)c(C)o1 509930070 XRTYRNJCRPXEOE-JTQLQIEISA-N 428.226 4.209 5 20 IIBD COc1ccc(CN2CCC[C@@H](c3ccnn3C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 510682589 ORHISYOPZMRMSN-HXUWFJFHSA-N 436.512 4.296 5 20 IIBD COC1CN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc([N+](=O)[O-])cc2)CCC3)C1 511328696 VVDGDSKURPMPRT-LGMDPLHJSA-N 429.476 4.491 5 20 IIBD CCC1(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2O)CCN(C(=O)c2ccccc2)CC1 512005030 BPTAPYMNDBOYQY-UHFFFAOYSA-N 431.876 4.225 5 20 IIBD CCNC(=O)c1ccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c(C)c1 515690739 LVJNPSVWCQOCNN-IYBDPMFKSA-N 438.528 4.388 5 20 IIBD Cc1ccc(NC(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)cc1[N+](=O)[O-] 516156096 GBGFGBJWVFUACG-AWEZNQCLSA-N 433.306 4.314 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(CN2CCc3ccccc32)cc1 517444792 CAVWXCRSXWLEJS-UHFFFAOYSA-N 444.491 4.297 5 20 IIBD CS(=O)(=O)c1ccc(NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)c([N+](=O)[O-])c1 517601972 NTVIMEPPYYNZFQ-KRWDZBQOSA-N 437.949 4.118 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3C[C@@H](C)O[C@H](c4ccccc4)C3)cc2)c(C)c1[N+](=O)[O-] 517931950 AULGZCGYFJWMOA-ZHRRBRCNSA-N 434.496 4.059 5 20 IIBD C[C@@H](c1cccc([N+](=O)[O-])c1)c1nc(Cc2cc3c(cc2Br)OCO3)no1 518352564 AWKAZFJOVNIGFX-JTQLQIEISA-N 432.230 4.212 5 20 IIBD O=C(NC1(c2ccccc2)CC1)c1ccc(C(=O)NC2(c3ccccc3)CC2)c([N+](=O)[O-])c1 518867973 GFIRMCYDUMGRKV-UHFFFAOYSA-N 441.487 4.433 5 20 IIBD O=C(NCCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])[nH]1 520066797 SEVZIQXTRWAMRU-UHFFFAOYSA-N 435.871 4.402 5 20 IIBD COc1cc([C@@H]2Nc3ccc(Cl)cc3C(=O)N2C)c([N+](=O)[O-])cc1OCC(F)(F)F 520851266 DLVUIYIAQILFCJ-MRXNPFEDSA-N 445.781 4.394 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1 522362074 YGXQJGKRSYXCNL-NDEPHWFRSA-N 430.507 4.012 5 20 IIBD COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2cccc([N+](=O)[O-])c2)c1 524338167 SJDGUXKQFDHKMK-UHFFFAOYSA-N 442.475 4.445 5 20 IIBD COc1cccc([C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)c2cc(F)ccc2OC)c1 530601555 OOBHMAPMUZNSSH-QFIPXVFZSA-N 439.443 4.340 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 531021854 LSZYRAXPCCMCLL-UHFFFAOYSA-N 429.432 4.260 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(F)ccc2OCC(F)(F)F)c(Cl)c1 531207409 SUZBSAXBBQOSKT-UHFFFAOYSA-N 428.747 4.129 5 20 IIBD C[C@@H](C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)c1cnn(C)c1 531409745 KTNGEOMHTAMMKI-GFCCVEGCSA-N 432.839 4.333 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 532082279 SYASYWFOCCCXGA-UHFFFAOYSA-N 436.443 4.028 5 20 IIBD CCc1c(C(=O)N(C)c2cccc([N+](=O)[O-])c2)cnn1-c1ccc(Br)cc1 533148510 QDWRQIDMOMKPGV-UHFFFAOYSA-N 429.274 4.382 5 20 IIBD COc1ccc(CC[C@H]2CCCCN2CC(=O)Nc2ccccc2[N+](=O)[O-])cc1OC 533266941 VKOSTALOVCPPGG-GOSISDBHSA-N 427.501 4.038 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 535350694 ONKLASQNIKEJHZ-FQEVSTJZSA-N 431.452 4.422 5 20 IIBD COc1ccc(CNC(=O)N2CCc3sc(-c4csc(C)n4)cc3C2)cc1[N+](=O)[O-] 540072552 FDQLIGHNVDJTHL-UHFFFAOYSA-N 444.538 4.365 5 20 IIBD C[C@@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(NC(=O)c2ccncc2)cc1 540387652 GVDBUWZKLKEXTH-OAHLLOKOSA-N 444.451 4.143 5 20 IIBD O=C(c1ccc(N2CCC(F)(c3cccc(Cl)c3)CC2)c([N+](=O)[O-])c1)N1CCOCC1 541208373 FPGXIUHTLITMFF-UHFFFAOYSA-N 447.894 4.186 5 20 IIBD COC(=O)[C@H]1CC12CCN(C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)CC2 541728611 NLQJDAJUWCXTFX-GOSISDBHSA-N 432.542 4.292 5 20 IIBD COc1ccccc1-c1noc([C@@H](C)N[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1 543546669 UYNAUNBGNVHLCE-OLZOCXBDSA-N 436.428 4.115 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)c1 549294357 QHJOOJDDLLQTGC-UHFFFAOYSA-N 449.301 4.440 5 20 IIBD CC[C@@H](NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccccc1OCC(=O)N(C)C 549928659 WYTPRFPLVFSFFI-GOSISDBHSA-N 439.434 4.322 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)cc1[N+](=O)[O-] 551413893 NBJZJLSNRNNBEO-UHFFFAOYSA-N 446.916 4.410 5 20 IIBD COc1ccc(CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)C2CCCCC2)cc1OC 552470294 KPWGORHMLDHLCF-UHFFFAOYSA-N 438.484 4.463 5 20 IIBD CCOc1cc(CNc2ccc(Oc3ccnc(C(=O)NC)c3)c(F)c2)ccc1[N+](=O)[O-] 564619060 GMPJKDOCGDLHKQ-UHFFFAOYSA-N 440.431 4.292 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 568922303 IORGLHIJOOHDJU-NRFANRHFSA-N 445.519 4.301 5 20 IIBD Cc1cc(C)c(NC(=O)C[S@@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c(C)c1 577642467 HRGUTXQRNBDFNM-PMERELPUSA-N 427.482 4.062 5 20 IIBD COCCC[C@@H](CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccc(Cl)cc1 578289864 GULAPFXJHWANOK-KRWDZBQOSA-N 447.919 4.363 5 20 IIBD O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 580915949 JTNXHOYYFJYXOS-QRWLVFNGSA-N 431.851 4.305 5 20 IIBD CC(C)(C)NS(=O)(=O)c1cc(NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1F 600861301 RDINHOWWTLYOLB-UHFFFAOYSA-N 449.426 4.442 5 20 IIBD C[C@@H]1CCCN(S(=O)(=O)c2ccc(CNc3ccc([N+](=O)[O-])c4cnccc34)cc2)C1 603869117 RZENZPWHBSYHTR-MRXNPFEDSA-N 440.525 4.176 5 20 IIBD COc1ccccc1CN(Cc1cccs1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F 603956224 HGFJIUMYWKUCAU-UHFFFAOYSA-N 436.486 4.195 5 20 IIBD Cc1nc(-c2ccc(CNC(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)cc2)cs1 604534858 UMTFSUWRPDRDJC-UHFFFAOYSA-N 437.525 4.059 5 20 IIBD CCCn1c(SC[C@@H](O)COc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1 608853530 QBTMVYUQNQBYBC-KRWDZBQOSA-N 448.932 4.449 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cc(C(=O)N2CCCCC2)ccc1Cl 608872876 MQLOYWRJGISEJQ-UHFFFAOYSA-N 431.876 4.282 5 20 IIBD O=C(Cc1ccc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1)Nc1ccccc1F 609079993 PQWXSGKIBWUGLF-UHFFFAOYSA-N 436.443 4.279 5 20 IIBD COc1cc(CN[C@H]2CCN(C3CCCC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 609287720 NAPWVWGVBGJDPM-FQEVSTJZSA-N 425.529 4.289 5 20 IIBD Cc1cc(Br)ccc1CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl 609512885 ZPLLJNWHUATECQ-UHFFFAOYSA-N 449.692 4.477 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(C(=O)NC2CCCC2)cc1 609723632 OTBLRFQNDXKELN-UHFFFAOYSA-N 431.876 4.328 5 20 IIBD Cn1cnnc1Sc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1Cl 609792835 LIADLVCNWXMCIT-UHFFFAOYSA-N 438.296 4.363 5 20 IIBD Cn1c(CCCNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc2ccccc21 609833657 RMHRBXUXNWLCIK-UHFFFAOYSA-N 449.433 4.051 5 20 IIBD CC(C)c1cccc(C(C)C)c1NC(=O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 609846494 ZGDVZYIJNKTJFP-QGZVFWFLSA-N 425.533 4.362 5 20 IIBD CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c(C)c1 610042801 VERLJLPTZQIHJS-GFCCVEGCSA-N 434.290 4.446 5 20 IIBD O=C(Cc1csc(-c2ccc3c(c2)OCO3)n1)NCCCCc1ccc([N+](=O)[O-])cc1 610046433 JTPGDLDKOWNYCR-UHFFFAOYSA-N 439.493 4.129 5 20 IIBD Cc1ccc(NC(=O)N2CCOC[C@H]2c2c(C)nn(-c3ccccc3)c2C)cc1[N+](=O)[O-] 611530207 UWGYERXCQVYKGQ-NRFANRHFSA-N 435.484 4.311 5 20 IIBD CC(=O)N1CCCc2cc(S(=O)(=O)N(c3cccc([N+](=O)[O-])c3)C3CCCC3)ccc21 617236428 DFOZHKLFPCEDDU-UHFFFAOYSA-N 443.525 4.032 5 20 IIBD COc1cc(OC)c(C2CCN(C(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)c(OC)c1 617697427 XLOVLNCVPZAAPH-HNNXBMFYSA-N 428.485 4.130 5 20 IIBD COc1cc(-n2cccc2)c(Cl)cc1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 725946520 WHVGREZDIPXBMW-UHFFFAOYSA-N 444.827 4.271 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 727123602 ANFXRNPLQXZYRT-IBGZPJMESA-N 447.919 4.343 5 20 IIBD Cc1cc(Cl)ccc1O[C@H](C(=O)OCCn1c([N+](=O)[O-])cnc1C)c1ccccc1 730398219 GEPNMJFTDBEPBV-FQEVSTJZSA-N 429.860 4.425 5 20 IIBD COc1cc2cc(C(=O)O[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)[nH]c2cc1OC 735726881 CULIAPGBOYWXHU-LLVKDONJSA-N 438.396 4.061 5 20 IIBD CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)Cc2ccccc2C1 735991915 IDJZQKYFJCSLPW-UHFFFAOYSA-N 431.876 4.249 5 20 IIBD O=C(NC(c1cccs1)c1cccs1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 737612477 SDSUMCHSIZOQFI-GFCCVEGCSA-N 445.497 4.116 5 20 IIBD Cc1ccc(C(=O)N(C)c2ccc(OS(=O)(=O)c3c(F)cccc3[N+](=O)[O-])cc2)cc1 746176780 DFTQIORPENAHHN-UHFFFAOYSA-N 444.440 4.087 5 20 IIBD O=C(OCc1nc(-c2ccc(Br)s2)no1)c1cccc(Cl)c1[N+](=O)[O-] 750535003 LJNMYSUYHMKWJV-UHFFFAOYSA-N 444.650 4.479 5 20 IIBD O=C(OC[C@H]1CCCN(C(=O)c2ccccc2)C1)c1ccc(Br)cc1[N+](=O)[O-] 751178382 MHMMYYOVYHKSQE-AWEZNQCLSA-N 447.285 4.067 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c(Cl)c1 751359242 IVXHQJGUAKJQHY-GOSISDBHSA-N 445.324 4.036 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 751396651 KVDMIUHYLKOSIK-YFHOEESVSA-N 428.876 4.028 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 751421347 RUNJXDKSOZDQQX-PMACEKPBSA-N 442.516 4.470 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccccc2SC(F)(F)F)cc1[N+](=O)[O-] 752134525 HKZXSXGBCRCJHY-NSHDSACASA-N 427.404 4.331 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(N2CCC[C@@H](COc3ccccc3Cl)C2)c1[N+](=O)[O-] 754064192 MVPGFZCFMSRHSS-CQSZACIVSA-N 435.864 4.253 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCN(c2ccccc2Cl)CC1 754627693 FWBYZWWVWHVPOV-UHFFFAOYSA-N 442.672 4.112 5 20 IIBD COc1cc(C)c(CN(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1OC 754974833 RVJSLLFPSFJZKP-UHFFFAOYSA-N 441.253 4.094 5 20 IIBD O=C(OCc1nc(-c2cc(F)c(F)c(F)c2)no1)c1cc([N+](=O)[O-])cc(Cl)c1F 754995640 CSXHUDXNTLGSFZ-UHFFFAOYSA-N 431.685 4.212 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Br)cc2)C[C@@H](C)O1 755252931 GVHAZODHKUHTBG-OKILXGFUSA-N 448.317 4.152 5 20 IIBD CN(CC1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1)C(=O)OC(C)(C)C 757254433 CNKZGOOIWSPZMA-UHFFFAOYSA-N 440.928 4.037 5 20 IIBD Cc1ccc([C@H](NC(=O)COC(=O)c2ccc(F)cc2[N+](=O)[O-])c2cccs2)cc1 758119546 YYLSSSKIZZWREF-FQEVSTJZSA-N 428.441 4.166 5 20 IIBD CCCC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 758736905 CGBPBSZTPVBFSG-AWEZNQCLSA-N 437.452 4.172 5 20 IIBD O=C(c1cc(F)c([N+](=O)[O-])cc1F)N1CCC(Oc2cccc(Br)c2)CC1 760118008 MZKMUEPTRFDNQX-UHFFFAOYSA-N 441.228 4.319 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1csc(-c2ccccn2)n1 763810368 KPWLNDOIAJZTIB-UHFFFAOYSA-N 431.495 4.209 5 20 IIBD Cc1cccc(S(=O)(=O)CCCOC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 766194268 BTAALBDSTMNAHS-UHFFFAOYSA-N 446.506 4.048 5 20 IIBD CNC(=O)c1cc(Oc2cccc(OC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)c2)ccn1 766701598 ZIYKVNSBERNNQK-UHFFFAOYSA-N 427.800 4.014 5 20 IIBD O=C(OCc1nnc(-c2ccccc2)s1)c1cc([N+](=O)[O-])c(Br)cc1F 766736239 QOTSMOFEFGWNHX-UHFFFAOYSA-N 438.234 4.372 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 767252763 ZZNTWAPOKQBWNQ-CYBMUJFWSA-N 432.395 4.239 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NS(=O)(=O)c1csc([N+](=O)[O-])c1 768833389 DSOQFOKOTIHFGR-SNVBAGLBSA-N 427.504 4.267 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCC(CO)(Cc2ccccc2)CC1 769734658 XQKFEWTWIMOIDE-UHFFFAOYSA-N 437.540 4.043 5 20 IIBD O=C(COC(=O)c1cc(C(F)(F)F)ccc1Br)Nc1cccc([N+](=O)[O-])c1 770168157 SLFOSHBIHFTDHR-UHFFFAOYSA-N 447.163 4.172 5 20 IIBD CCc1ccccc1N1C[C@H](C(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])CC1=O 776134511 CFUNGMVDFWDAID-DVECYGJZSA-N 445.475 4.238 5 20 IIBD CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 777958097 LVTPEPGMUKBDJH-RIKCKFAHSA-N 445.523 4.183 5 20 IIBD CC(C)(C)OC(=O)N1CCc2c(NC(=O)c3cc([N+](=O)[O-])c4nsnc4c3)cccc21 778315797 FUSSEQUBPKOYBQ-UHFFFAOYSA-N 441.469 4.149 5 20 IIBD O=C(c1cc([N+](=O)[O-])c2nsnc2c1)N1CCC[C@H](COc2ccccc2Cl)C1 778394431 ULAKUXYRQPKNDX-LBPRGKRZSA-N 432.889 4.184 5 20 IIBD COc1ccc(-c2ccc(CN3CCC(Oc4cncc(Cl)n4)CC3)o2)c([N+](=O)[O-])c1 779190016 XRXPQLYAPIZXOK-UHFFFAOYSA-N 444.875 4.350 5 20 IIBD C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1cc([N+](=O)[O-])ccc1I 780280643 YADQEDXZXJBHTB-DTWKUNHWSA-N 442.175 4.002 5 20 IIBD CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 780548894 ATCZYVQMCQWLSZ-KRWDZBQOSA-N 435.524 4.153 5 20 IIBD COc1ccc(-c2noc([C@H](C)OC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)n2)cc1 783322803 WBYOFDAQGMWECW-LBPRGKRZSA-N 442.384 4.096 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(=O)n(Cc2ccccc2)c1 783913533 VTZDRVLVIWHWMQ-UHFFFAOYSA-N 429.885 4.189 5 20 IIBD Cc1cc(S(=O)(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)cc([N+](=O)[O-])c1F 784448346 RTLUBWNXSUPPRD-CYBMUJFWSA-N 432.395 4.239 5 20 IIBD CC(C)c1ccc(C(=O)OC[C@@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] 784505680 LFTYZNHHBYPTPL-INIZCTEOSA-N 441.440 4.088 5 20 IIBD O=C(Cc1ccccc1[N+](=O)[O-])Oc1ccc(Oc2ncc(Br)cn2)cc1 789728700 WRBXTIBHCCPSNJ-UHFFFAOYSA-N 430.214 4.088 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCc2cc(Br)cc(F)c2C1 790561858 XLHNANOPQHUGLU-UHFFFAOYSA-N 445.647 4.416 5 20 IIBD CC(C)(C)c1cnc(COC(=O)c2cc([N+](=O)[O-])ccc2I)s1 790890004 ORICMGNFUVJVQW-UHFFFAOYSA-N 446.266 4.310 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(=O)c1c[nH]c3cccc([N+](=O)[O-])c13)CC2 791035910 JYESZJGBJCMVID-UHFFFAOYSA-N 442.516 4.329 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2cccc(CCC(=O)OC(C)(C)C)c2)cc1[N+](=O)[O-] 791887115 AZFVLEJPQRHGOA-UHFFFAOYSA-N 429.429 4.338 5 20 IIBD COc1ccc(OC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] 792123697 MJZDFXDXAAJUMU-HNNXBMFYSA-N 439.251 4.120 5 20 IIBD Cc1cc(C(=O)COC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c(C)n1Cc1cccs1 796252965 PPQLSWRFOLAKAP-UHFFFAOYSA-N 430.486 4.009 5 20 IIBD COc1cc([N+](=O)[O-])ccc1COC(=O)c1ccccc1Cc1nc(O)c2ccccc2n1 797472908 SMVYJZPZLUQGRQ-UHFFFAOYSA-N 445.431 4.200 5 20 IIBD Cc1sc(Br)c(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1C 799543891 VMTQYPRCWNQYRS-UHFFFAOYSA-N 447.694 4.485 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)C1(c2ccc(I)cc2)CC1 799869941 QJCDILUAXULKMO-UHFFFAOYSA-N 444.175 4.148 5 20 IIBD CCCCNC(=O)OC[C@H]1CCCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 804230133 SCKCJNQQFAWRLL-LJQANCHMSA-N 449.551 4.062 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@H](c1cccc(OC(F)(F)F)c1)C1CC1 804364776 WPPLVBZWDXVBSU-SFHVURJKSA-N 428.338 4.279 5 20 IIBD COc1ccc2nc(C)c(C(=O)OCc3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])cc2c1 806287639 ICTYMLJHHNQKKU-UHFFFAOYSA-N 448.378 4.427 5 20 IIBD CCc1cc(=NC(=O)c2cc(Br)ncc2Cl)c2cc([N+](=O)[O-])ccc2[nH]1 808710095 LVTQAHDRXVYNPU-UHFFFAOYSA-N 435.665 4.191 5 20 IIBD CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)c3cc(F)ccc3[N+](=O)[O-])cccc21 809279754 JZYNZEUARJKFSU-UHFFFAOYSA-N 429.448 4.352 5 20 IIBD CCC[C@@H](C(=O)OC1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1)c1ccccn1 810595352 IEKAKMAPSVUDJT-LJQANCHMSA-N 427.501 4.484 5 20 IIBD C[C@H](OC(=O)c1ccc2c(c1)CCCCC2=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 811421911 XUNWJPFIIHCLGV-LBPRGKRZSA-N 430.844 4.341 5 20 IIBD CCc1ccc(C(=O)Nc2cc(C)c(F)cc2C(=O)NCC(F)(F)F)cc1[N+](=O)[O-] 813290892 SAWOKYLZIDUVIE-UHFFFAOYSA-N 427.354 4.149 5 20 IIBD COc1ccc(C(=O)N2CCC[C@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1[N+](=O)[O-] 814431594 MXCNHPRVFQVPIP-ZWKOTPCHSA-N 447.532 4.103 5 20 IIBD CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] 815007304 RDSBVYAOGIUBJA-IFXJQAMLSA-N 442.896 4.176 5 20 IIBD COc1cc(/C=C/C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc(Br)c1O 817038052 RVOIDFWFFCXVFX-CMDGGOBGSA-N 435.274 4.136 5 20 IIBD C[C@H](OC(=O)COc1ccccc1C(F)(F)F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 914987388 PUIGYGVCQFVAPW-NSHDSACASA-N 437.330 4.347 5 20 IIBD Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1NC(=O)c1ccccc1 915019574 HDLJQVDHKMCIOC-INIZCTEOSA-N 447.447 4.340 5 20 IIBD Cn1ccnc1[C@](O)(CCNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])C(F)(F)F 917067781 SQIPBBOKIDVHME-CYBMUJFWSA-N 446.735 4.253 5 20 IIBD CC(C)C[C@H](NC(=O)COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccc1 917659009 KZVOTQVTAYNWOO-FQEVSTJZSA-N 439.512 4.255 5 20 IIBD CC[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1OCC(=O)N1CCCC1 917743440 ZFQCARRPGSCJMU-GOSISDBHSA-N 445.903 4.131 5 20 IIBD C[C@H](Nc1ccc(C(=O)OC[C@@H]2COc3ccccc3O2)cc1[N+](=O)[O-])c1ccccn1 920116592 LQVGBDHQPYCHLB-RDJZCZTQSA-N 435.436 4.160 5 20 IIBD Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)O[C@H](C)c2ccccc2[N+](=O)[O-])c1 920267314 FEBLEFRVXKSVTE-OAHLLOKOSA-N 426.498 4.497 5 20 IIBD CC[C@]1(C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCN(C(=O)OC(C)(C)C)C1 1253730717 JJXRHVOBEXFTMJ-QFIPXVFZSA-N 445.472 4.330 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@@H](C)CC(=O)OC(C)(C)C)cc2[N+](=O)[O-])n1 1318366258 YWVQSYXRSHFFCN-NSHDSACASA-N 437.543 4.361 5 20 IIBD O=C(Nc1cccc(COc2ccc3c(c2)OCO3)c1)N1Cc2ccc([N+](=O)[O-])cc2C1 1318751622 GUHFHKDYWNZABG-UHFFFAOYSA-N 433.420 4.450 5 20 IIBD Nc1c(C(=O)N(Cc2ccccc2)CC2CCOCC2)cc(Br)cc1[N+](=O)[O-] 1321775641 QGISDZACWGBGAY-UHFFFAOYSA-N 448.317 4.009 5 20 IIBD CC(C)N1C(=O)C[C@@H](C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)[C@@H]1c1ccc(Cl)c(F)c1 1337293535 MHCAEEHILMGYSS-UTKZUKDTSA-N 445.878 4.228 5 20 IIBD COc1ccc2c(c1)c(C(=O)O[C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)c(C)n2C1CC1 1338766959 YRDBRRLTYGJLNE-OAQYLSRUSA-N 449.463 4.164 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1)c1cc(C2CC2)on1 1785748774 PZFMLSOTLMZSOK-UHFFFAOYSA-N 436.424 4.115 5 20 IIBD O=C(Cc1cccc(F)c1)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)cc1 1787754056 LRBSWFLURAFRQV-UHFFFAOYSA-N 436.443 4.052 5 20 IIBD COc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])o4)CCC3)cc2)c1 1790272374 ZXLNZJWIXFIQIF-UHFFFAOYSA-N 435.436 4.258 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])o4)CCC3)cc2)ccc1O 1790657439 FADRANLFPKEXPO-UHFFFAOYSA-N 435.436 4.263 5 20 IIBD CCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2cccc([N+](=O)[O-])c2)cc1 1793939880 BIAFYJRVXPGHAT-KOUNCHBCSA-N 435.524 4.042 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)cc([N+](=O)[O-])c1)c1cccc2ccccc12 1800660645 NXNJASVKPFOQBI-REPLKXPHSA-N 445.475 4.019 5 20 IIBD CC(C)/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1832509979 KQCDHWVNSYYHRD-BGRGPPJGSA-N 429.517 4.033 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CC2(CCCN2C(=O)c2ccc(C3CC3)cc2)C1 1845508585 FOPYBIKEECAZFH-UHFFFAOYSA-N 437.471 4.051 5 20 IIBD CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)c([N+](=O)[O-])c1 9532807 OMVWHABYQPSDGS-UHFFFAOYSA-N 447.904 4.173 5 20 IIBD C[C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] 9638005 FUUMPLLFVKDDLU-LBPRGKRZSA-N 427.461 4.447 5 20 IIBD COc1cc(C(=O)OCc2cc(-c3cccs3)on2)c([N+](=O)[O-])cc1OC(F)F 10275332 KRMGMDGSTRWLBS-UHFFFAOYSA-N 426.353 4.278 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 12258013 NXZPLJBZQIMDRV-UHFFFAOYSA-N 443.843 4.326 5 20 IIBD CSc1ccc(C(=O)OCC(=O)N[C@H](c2ccccc2)c2cccs2)cc1[N+](=O)[O-] 19013599 RPMKFTSVFUSACT-HXUWFJFHSA-N 442.518 4.441 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(Br)cn1 57807084 LBRROOHETDNOFI-UHFFFAOYSA-N 433.184 4.212 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CC=C(c4ccc(O)cc4)CC3)cc2)c(C)c1[N+](=O)[O-] 57841731 KRHPUHCZOXSNRA-UHFFFAOYSA-N 432.480 4.092 5 20 IIBD O=c1c2sc(-c3ccccc3)cc2ncn1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 107674248 JPXMMYWDYLNTKD-UHFFFAOYSA-N 431.433 4.132 5 20 IIBD CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 261461091 TUHPNQXAXLPJOH-IAGOWNOFSA-N 425.485 4.200 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cccc4c(=O)n(C)ccc34)cc2[N+](=O)[O-])C1 410351495 FNEPECKKHWAAPH-HOTGVXAUSA-N 434.496 4.181 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)c(F)c1 427800114 GVXYAXJWTDWOOO-UHFFFAOYSA-N 427.457 4.149 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)cc1OC 430442507 RGSULSFSVLHMJX-UHFFFAOYSA-N 439.390 4.132 5 20 IIBD Cc1cc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)n(Cc2ccccn2)n1 430819177 GQICVPTUNQHWBH-IAGOWNOFSA-N 448.527 4.278 5 20 IIBD O=C([C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1CC2(CCCC2)c2ccccc21 434036050 KHLFJQZCUPRXDP-QGZVFWFLSA-N 425.510 4.120 5 20 IIBD CC(=O)Nc1sc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)nc1-c1ccccc1 435821093 ZYDDUTKOUWVIRO-UHFFFAOYSA-N 426.454 4.003 5 20 IIBD CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 435940986 YNDCTOYIOCYEND-UHFFFAOYSA-N 427.504 4.481 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])c(C2CC2)n1)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1 436211840 SHXGIPHRRZNWEH-QGZVFWFLSA-N 445.435 4.386 5 20 IIBD CCOCc1cccc(NS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1 438779547 UOIIPULTDWILHO-UHFFFAOYSA-N 429.292 4.003 5 20 IIBD O=C([C@H]1C[C@@]12CCc1ccccc12)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 438869736 IBVLTJIDTHHGQX-XMSQKQJNSA-N 445.441 4.166 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(CCC(F)(F)F)cc1 440032321 SREUOKGKMDMGLA-UHFFFAOYSA-N 425.363 4.066 5 20 IIBD CCc1nnc(-c2cccc(NC(=O)c3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])c2)o1 440607899 GMIDYTCMSLPPQQ-UHFFFAOYSA-N 434.355 4.070 5 20 IIBD CCCN(C(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)c1cccc([N+](=O)[O-])c1 441430701 SWVBIOVLPRCFNU-UHFFFAOYSA-N 443.459 4.448 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H](C)c1ccc(-c2ccccc2)cc1 442527947 OYQIDYXNNQZMGB-MRXNPFEDSA-N 433.464 4.429 5 20 IIBD C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 444410707 NHBNVMZOXJMMEA-ZHRRBRCNSA-N 443.931 4.453 5 20 IIBD CCOc1cc2c(cc1CNC(=O)c1sc(Br)cc1[N+](=O)[O-])O[C@H](C)C2 444822792 BQXSLAMMANDDAT-SECBINFHSA-N 441.303 4.071 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCC(O)(Cc2cccc(F)c2)CC1 447677660 HAJHVNHJNYHXEC-UHFFFAOYSA-N 449.351 4.357 5 20 IIBD COc1cc(C(=O)Nc2cc(-c3ccco3)nn2C(C)C)c([N+](=O)[O-])cc1OC(F)F 447864631 GJFOKQOVLDALNV-UHFFFAOYSA-N 436.371 4.495 5 20 IIBD C[C@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])Oc1ccc(Br)cc1 462943935 OAFPJILMBBOWNU-GFCCVEGCSA-N 434.290 4.129 5 20 IIBD O=C(NC1CCN(Cc2ccc(F)c(F)c2)CC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 463288293 BQBMFPDCTKFDRG-UHFFFAOYSA-N 443.372 4.286 5 20 IIBD Cc1ccc2c(C3=CCN(S(=O)(=O)c4ccc([N+](=O)[O-])c5cccnc45)CC3)c[nH]c2c1 463677984 WHJBKVJKYUEOAT-UHFFFAOYSA-N 448.504 4.411 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C)[C@H](C)c1ccccc1C(F)(F)F 464039268 HOTHHTPGSAKHQA-JSGCOSHPSA-N 437.418 4.477 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@H](c1ccc(Cl)cc1)C(F)(F)F 464427897 MEEVMYHWLJBPCJ-OAHLLOKOSA-N 438.811 4.181 5 20 IIBD Cn1c(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])nc2c(Cl)cccc21 464454666 AYLNFRFXKJQOAP-UHFFFAOYSA-N 428.754 4.328 5 20 IIBD COc1cc2c(cc1NC(=O)c1ccc(NCc3ccccc3)c([N+](=O)[O-])c1)NC(=O)CC2 464463602 VJGDKPJPDPRFIC-UHFFFAOYSA-N 446.463 4.353 5 20 IIBD O=C1C[C@]2(CCCN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccc(Cl)cc3)C2)CN1 464527809 VGZBIRLMDAIQSZ-OAQYLSRUSA-N 445.928 4.142 5 20 IIBD Cc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(OC[C@@H]2CCCO2)c1 466651522 OVXAFPMJMLMIAT-INIZCTEOSA-N 438.402 4.410 5 20 IIBD COc1ccc(C2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Br)CC2)cc1 467172605 AHMLBBDUFRVINV-UHFFFAOYSA-N 448.317 4.184 5 20 IIBD Cc1ccc(-c2csc(NC(=O)C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)n2)cc1C 467846568 OQQYCSKRYCZZGF-UHFFFAOYSA-N 444.900 4.243 5 20 IIBD CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)cc1 468101201 OORPNAFAQWTNEL-UHFFFAOYSA-N 443.843 4.240 5 20 IIBD COc1cc(C(=O)N2CCC[C@@H]2C(C)(C)O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 468791604 BVCGYVNIARHXEK-LJQANCHMSA-N 434.876 4.425 5 20 IIBD COc1ccccc1Oc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1F 469112475 CFIGCRIDIMIRRZ-UHFFFAOYSA-N 448.428 4.344 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)c2scc(C)c2I)cc1[N+](=O)[O-] 469244449 UBWRRJMPTUJQAL-SNVBAGLBSA-N 430.267 4.369 5 20 IIBD CS(=O)(=O)c1cccc([C@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c2ccccc2)c1 470152450 MWOGFBOQFMADHE-HXUWFJFHSA-N 443.456 4.049 5 20 IIBD COc1ccc(CSCC(=O)N(C)Cc2cccc(OC(F)(F)F)c2)cc1[N+](=O)[O-] 470713224 DBQZBDQKEQMKCA-UHFFFAOYSA-N 444.431 4.394 5 20 IIBD Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1 473362945 ZYLZEZMOQBCKHH-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD COc1cc(C(=O)NCC2(CO)CCCC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 474686153 RUPVUPKCITXRLO-UHFFFAOYSA-N 434.876 4.332 5 20 IIBD Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N3CCS[C@@H]3c3ccc([N+](=O)[O-])cc3)n2)n1 476120037 JNAOJLQVSQAZLG-HXUWFJFHSA-N 443.916 4.334 5 20 IIBD COc1ccc(-c2csc(CNc3ccc(S(=O)(=O)N(C)C)cc3[N+](=O)[O-])c2)cc1 477102798 SZZAUSSHZLBEBE-UHFFFAOYSA-N 447.538 4.194 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(OC)cc2OC2CCCC2)cc1OC 477548095 CEQYZDZZORLWER-UHFFFAOYSA-N 444.484 4.262 5 20 IIBD CC(C)[C@@H](CO)NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 479625271 ZWLAKDRPMVKRCN-KZIRBZLESA-N 425.510 4.268 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N(CCO)Cc1ccc(Br)s1 482976166 JWDJHSFRHOQRJQ-UHFFFAOYSA-N 441.328 4.268 5 20 IIBD O=C(CCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)NC1CCCCC1 484353893 VAMIMPUOTIXZRM-UHFFFAOYSA-N 427.526 4.315 5 20 IIBD O=C(CCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCSc2ccccc21 486071318 GJDJLYSGZSUEAQ-UHFFFAOYSA-N 425.510 4.005 5 20 IIBD CSc1cccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)c1[N+](=O)[O-] 486240470 IKGZWZDVWCXHAL-UHFFFAOYSA-N 445.504 4.494 5 20 IIBD O=[N+]([O-])c1cc(CNS(=O)(=O)Cc2ccccc2C(F)(F)F)cc(C(F)(F)F)c1 487386846 CQCPNSTVIDCWTF-UHFFFAOYSA-N 442.337 4.252 5 20 IIBD Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 487998669 ZLVFNZHJXMIFJZ-GOSISDBHSA-N 441.919 4.323 5 20 IIBD C[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCN(Cc2ccccc2)C1 490342023 SDKSSDWHNLVKDP-GOEBONIOSA-N 434.443 4.228 5 20 IIBD O=C(Nc1ccccc1Br)C1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 491111398 NBGWGQFOYTYFOF-UHFFFAOYSA-N 436.281 4.347 5 20 IIBD Cc1cc(C)c(S(=O)(=O)NCc2nc(C)c(-c3ccc(Cl)cc3)o2)cc1[N+](=O)[O-] 493943655 FAEVPTLOZVOMDA-UHFFFAOYSA-N 435.889 4.307 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1cc(Cl)ccc1OC1CCCC1 494214337 ZZDDMHSEMPKJEA-UHFFFAOYSA-N 431.832 4.116 5 20 IIBD O=C(N[C@]1(Cc2ccc(Cl)cc2)CCOC1)c1ccc(Br)cc1[N+](=O)[O-] 500322745 OCZBNCRFTPCDGC-SFHVURJKSA-N 439.693 4.142 5 20 IIBD CCC(CC)NC(=O)[C@H]1CN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])c2ccccc2O1 505097723 GFVFRSVLPQGJOS-HXUWFJFHSA-N 443.525 4.029 5 20 IIBD CCOc1cc(C(=O)NCc2nc(-c3ccccc3F)cs2)c([N+](=O)[O-])cc1OC 505248290 AUYOEZJPKDJTNT-UHFFFAOYSA-N 431.445 4.195 5 20 IIBD O=C(c1ccc(N[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1)N1CCOCC1 507030279 QAHJLLTYYKJUKI-QAPCUYQASA-N 435.402 4.054 5 20 IIBD COc1ccc(CN(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)cc1[N+](=O)[O-] 507375842 QYQGQLFBXYUDTM-UHFFFAOYSA-N 435.480 4.291 5 20 IIBD CC[C@H](NC(=O)N1CCOC[C@H]1c1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 507569155 OCPDVJYAVLPOTH-WMZOPIPTSA-N 426.498 4.439 5 20 IIBD O=C(NC1(c2nc[nH]n2)CCC1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 507884200 CXSHBAXVOMPARP-UHFFFAOYSA-N 429.889 4.327 5 20 IIBD C[C@@H](NC(=O)COc1c([N+](=O)[O-])cnc2ccc(Br)cc12)c1ccccc1 508157940 APMZQSPAGWLGDX-GFCCVEGCSA-N 430.258 4.162 5 20 IIBD Cc1c(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)sc2ccc(Cl)cc12 508374373 GNQYKLOQKSZCMK-AWEZNQCLSA-N 447.900 4.285 5 20 IIBD COc1cc(C(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)c([N+](=O)[O-])cc1OC 509675283 JWAWTIMGFNNWFU-UHFFFAOYSA-N 433.530 4.386 5 20 IIBD CCOc1ccc(NC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])cc1F 509944828 ZRGIMJQRFHWWFK-UHFFFAOYSA-N 447.444 4.429 5 20 IIBD O=C(c1ccc(Cl)s1)N1CCC(C(=O)N2CCCc3c2cccc3[N+](=O)[O-])CC1 513832856 QTXCBYZEUQXUPW-UHFFFAOYSA-N 433.917 4.141 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 514473832 HZTZOKFOKCZGRC-UHFFFAOYSA-N 431.448 4.380 5 20 IIBD CC[C@H](NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)c1nnc2n1CCCCC2 520220097 WONQPEFDPLYSTD-SFHVURJKSA-N 425.489 4.422 5 20 IIBD C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 520569654 TZUBITHBVRGJHK-JTQLQIEISA-N 448.266 4.049 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)cc1C 521889573 BDORSWSEOGAVCF-UHFFFAOYSA-N 436.493 4.410 5 20 IIBD CCOc1ccc(Oc2ccccc2NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)cc1 522244006 PHEGPTAFPDYTOK-UHFFFAOYSA-N 435.436 4.041 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1 522362073 YGXQJGKRSYXCNL-MUUNZHRXSA-N 430.507 4.012 5 20 IIBD O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 523716529 FWNSPGQYULZPJZ-GOSISDBHSA-N 436.295 4.464 5 20 IIBD Cn1c(-c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3F)cc2)nc2ccccc21 524024693 SKZUKQGLKLVJBJ-UHFFFAOYSA-N 426.429 4.088 5 20 IIBD COC(=O)c1cc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc([N+](=O)[O-])c1 524045762 ZMFBEZVOMSADJK-UHFFFAOYSA-N 442.431 4.486 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)NCCCCSc1ccccc1Br 524247320 TWHCEQNTSCPLER-UHFFFAOYSA-N 439.331 4.425 5 20 IIBD CCO[C@H]1C[C@@H](Nc2ccc(C(=O)c3ccccc3C(=O)OC)cc2[N+](=O)[O-])C12CCC2 525642384 OCUBWNPNLDQMDV-RTWAWAEBSA-N 438.480 4.372 5 20 IIBD COC(=O)c1ccc(Br)c(C)c1NC(=O)CSc1ccc([N+](=O)[O-])cc1 525798849 ICSZYMCNORXCSG-UHFFFAOYSA-N 439.287 4.183 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)NC1(c2cccc(Br)c2)CCOCC1 531024859 FUVYZKLKHTZJNH-UHFFFAOYSA-N 433.302 4.112 5 20 IIBD CC(=O)N1CC[C@](C)(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)C1 531327631 IUMRPAPNJAMTII-NRFANRHFSA-N 449.866 4.054 5 20 IIBD CN(C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[C@H](c1ccc(Cl)cc1)C(F)(F)F 532341194 RRONHSZUVXNAMM-MRXNPFEDSA-N 430.766 4.395 5 20 IIBD O=C(c1cc2occc2s1)N1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 534879113 UJGIPZREONXZIL-UHFFFAOYSA-N 434.477 4.427 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)c1ccc(Oc2cccc(Cl)c2Cl)nn1 535448666 YFGZXVFUQRPWAF-UHFFFAOYSA-N 433.251 4.456 5 20 IIBD O=C(c1cc(I)cc([N+](=O)[O-])c1)N(Cc1cccs1)C1CC1 535736044 JQWMOPVYVMIHBD-UHFFFAOYSA-N 428.251 4.066 5 20 IIBD Cn1ccnc1COc1ccc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])cc1 538315162 BIXYNZQQUMJADU-UHFFFAOYSA-N 429.436 4.222 5 20 IIBD Cc1nn(C)c(C(=O)N[C@@H](c2cccc(F)c2)c2cccc(Br)c2)c1[N+](=O)[O-] 539724508 LEYGYYBHOCTKPQ-MRXNPFEDSA-N 447.264 4.058 5 20 IIBD COc1ccc(NC(=O)c2cccc(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)c2)cn1 541605886 ZOSRAEPAKVYFSZ-ZDUSSCGKSA-N 438.415 4.132 5 20 IIBD O=C(NCCc1nc(CCc2c(Cl)cccc2Cl)no1)c1ccc([N+](=O)[O-])cc1 545090395 SWYHBFJTXKOPRC-UHFFFAOYSA-N 435.267 4.042 5 20 IIBD Cc1nnc([C@@H](C)N[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)s1 546756119 NCUUOPCJCKQSPS-PIGZYNQJSA-N 431.905 4.439 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)c1 549306355 JWFGJYRAOBXNCZ-UHFFFAOYSA-N 446.525 4.493 5 20 IIBD Cc1ccccc1C1(CNC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)CCOCC1 550177823 NCXWTLJPLPMVFP-UHFFFAOYSA-N 447.329 4.452 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CC[C@@H](C(F)(F)F)[C@H](CO)C3)c([N+](=O)[O-])c2)cc1 553601766 OSEFSSBUFTXIJO-DOTOQJQBSA-N 437.418 4.153 5 20 IIBD COc1cc(/C=C\c2nc3c(F)cccc3c(=O)o2)c([N+](=O)[O-])cc1OCC(F)(F)F 554389821 KXMOYRBKIXNDDZ-WAYWQWQTSA-N 440.305 4.355 5 20 IIBD COCC[C@H](NC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 556523981 LLAXZJCEWMAUJO-INIZCTEOSA-N 440.283 4.043 5 20 IIBD COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 556609056 PHDZXAZRUMVQOW-QRWLVFNGSA-N 425.510 4.228 5 20 IIBD C[C@@H](CN[C@H](c1ccc([N+](=O)[O-])cc1)c1nccn1C)Oc1ccc(Br)cc1 556873645 ZSTBVHRNEZSNHS-IFXJQAMLSA-N 445.317 4.237 5 20 IIBD CN(CCCCCc1cc(-c2ccccc2)n[nH]1)c1nc(O)c2cc([N+](=O)[O-])ccc2n1 557511613 LMNANSAQRIMINM-UHFFFAOYSA-N 432.484 4.483 5 20 IIBD Cc1cc(OCc2nc(Cc3ccc(OCc4ccccn4)cc3)no2)ccc1[N+](=O)[O-] 564227798 NIQBXBLPNOUPNS-UHFFFAOYSA-N 432.436 4.430 5 20 IIBD Cn1ccnc1[C@@H](NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1cccc([N+](=O)[O-])c1 571588495 LXXDAOZPYLGEPZ-VXKWHMMOSA-N 439.947 4.498 5 20 IIBD Cc1cccn(Cc2c(F)cccc2NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1=O 573643855 IRWYTDXCTGVSIC-UHFFFAOYSA-N 447.369 4.106 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H]2C[C@H]2c2c(F)cccc2Cl)cc1[N+](=O)[O-] 575008464 LKVGAHVVMNZQDR-WBMJQRKESA-N 433.867 4.296 5 20 IIBD C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 589300744 DATWKAFGYDBILP-CCKFTAQKSA-N 442.541 4.079 5 20 IIBD Cc1cc(C)c(-c2csc(NC(=O)[C@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1C 603461285 LASHBKJYDFPJOC-HNNXBMFYSA-N 438.509 4.401 5 20 IIBD Cn1c(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)ccc1[N+](=O)[O-] 603742987 OFKHHGRVFAEPAD-UHFFFAOYSA-N 432.358 4.457 5 20 IIBD Cc1nn(-c2ccc(C(=O)Nc3ccnn3-c3ccc([N+](=O)[O-])cc3)cc2)c(C)c1Cl 609151490 SXMFPTGAJRVGPL-UHFFFAOYSA-N 436.859 4.489 5 20 IIBD C[C@@H](Nc1cc(F)ccc1OC[C@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 609354127 NMMVRXTVMWPXCN-IUODEOHRSA-N 437.855 4.384 5 20 IIBD CCc1c(-c2ccc(Br)cc2)n[nH]c1NC(=O)CNc1ccccc1[N+](=O)[O-] 609534927 BUKPITIDGFAABT-UHFFFAOYSA-N 444.289 4.360 5 20 IIBD CN(C)CCN(Cc1ccccn1)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609772751 GWWGWGLBNRUNGU-UHFFFAOYSA-N 435.484 4.378 5 20 IIBD CC(C)(C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl)c1ccc([N+](=O)[O-])cc1 610180629 IXFCVZXNAFIRII-UHFFFAOYSA-N 431.798 4.135 5 20 IIBD O=C(NCC1(N2CCCCC2)CCOCC1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611205646 LBHPEZHLRGLBHN-UHFFFAOYSA-N 447.601 4.394 5 20 IIBD O=[N+]([O-])c1cc(CNCc2ccc(-n3cncn3)nc2)ccc1Oc1ccccc1Cl 725845651 DANVLPMAPKDOOG-UHFFFAOYSA-N 436.859 4.306 5 20 IIBD O=C(Nc1ccc(Cl)cc1)N1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 726529559 ZXXGMMOITPDVCI-UHFFFAOYSA-N 437.283 4.282 5 20 IIBD Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C1 726547248 ZDNBAMZZAICMGH-AWEZNQCLSA-N 432.864 4.030 5 20 IIBD CCOc1ccccc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727585744 GONLUQFJFRFMMW-UHFFFAOYSA-N 438.406 4.366 5 20 IIBD COc1ccccc1SC[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 728849383 HDWZDWAIZOHXQC-LBPRGKRZSA-N 433.486 4.287 5 20 IIBD COc1ccc(NC(=O)COC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 730615751 WJJGHPYEJHTVQQ-KBPBESRZSA-N 439.251 4.196 5 20 IIBD C[C@H](CC(=O)O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(C(F)(F)F)cc1 733524368 SPSDBZRBLOORGD-ACJLOTCBSA-N 436.386 4.456 5 20 IIBD CSc1cccc(NC(=O)[C@@H](C)OC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c1 735150103 XOTPJFJPKRFCIC-GFCCVEGCSA-N 438.889 4.309 5 20 IIBD CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 740868810 QCZXUAYRDDWNJK-ZDUSSCGKSA-N 439.484 4.040 5 20 IIBD O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 741207535 SESUASZFFOKTHJ-JYRVWZFOSA-N 433.508 4.038 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 743277700 BLCPWPVVRPVXAB-SFHVURJKSA-N 448.520 4.247 5 20 IIBD C[C@@H](OC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(Br)cc1 743467533 PMZDOCBMPWDPOY-GFCCVEGCSA-N 449.257 4.350 5 20 IIBD C[C@H](OC(=O)[C@H](Oc1ccccc1)c1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 744789270 BZKUJTDDMDVGRU-YCRPNKLZSA-N 438.411 4.424 5 20 IIBD Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 747960697 ADGQVTKMFMOOAH-LSDHHAIUSA-N 439.493 4.449 5 20 IIBD COc1ccc([C@@H](C)CC(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 750544371 WCEDEKGZAZEIJW-LBPRGKRZSA-N 440.374 4.298 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Oc2ccc(-c3cscn3)cc2)ccc1[N+](=O)[O-] 750751926 IMEFTVAHMBYDOH-HXUWFJFHSA-N 437.477 4.237 5 20 IIBD O=C(CCN1CCCCC1)Nc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 751135872 BAHDQVXNDSTUOZ-UHFFFAOYSA-N 430.892 4.315 5 20 IIBD O=C(CCn1cnc2cc(Cl)c([N+](=O)[O-])cc2c1=O)Nc1cccc(C(F)(F)F)c1 751453704 OCMJOFDUTHTFFM-UHFFFAOYSA-N 440.765 4.006 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@](COC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)(C(F)(F)F)C1 751883661 BZCDCBVZCQBQIP-WMHRWZGDSA-N 444.406 4.341 5 20 IIBD Cc1csc(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])c1Br 753650377 GHQPSUFWXLBGKE-UHFFFAOYSA-N 433.667 4.176 5 20 IIBD CN(c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 754113493 KZNNCKDHVAPFMV-KDOFPFPSSA-N 444.431 4.087 5 20 IIBD CC(C)[C@H](O)C(C)(C)CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 754137733 NLMLWQULRJBRJU-IBGZPJMESA-N 447.919 4.273 5 20 IIBD Cc1ccc(-n2nc(Br)cc2C(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 755132234 DDZPCJAOUHTCEQ-UHFFFAOYSA-N 427.258 4.054 5 20 IIBD CCOc1cc(COC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)ccc1[N+](=O)[O-] 755508000 PHZBXGPSCAYRCW-KRWDZBQOSA-N 446.887 4.243 5 20 IIBD CCCc1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cnn1-c1ccc(F)cc1 759460156 YYVRSOASSLGGPY-UHFFFAOYSA-N 427.392 4.341 5 20 IIBD Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 760071603 LXTXAKFNAMNRFJ-KRWDZBQOSA-N 438.887 4.291 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1cnccc1-c1ccccc1 762502261 MYVNXHORLJHNLH-UHFFFAOYSA-N 434.271 4.220 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1cc(COc2ccccc2F)on1 767113765 CJJOVPHQYZLYPF-UHFFFAOYSA-N 436.193 4.316 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)cc([N+](=O)[O-])c1F 768266950 XURDHAUTAIYBAF-UHFFFAOYSA-N 449.504 4.248 5 20 IIBD O=[N+]([O-])c1cc(CSc2nnc(N3CCCCC3)n2C[C@@H]2CCCO2)ccc1Cl 768290495 HYLOTVFSGGVLRM-HNNXBMFYSA-N 437.953 4.301 5 20 IIBD C[C@@H](OC(=O)c1cn(C)nc1-c1cccs1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 768676926 DGETVXOKKWZBQF-LLVKDONJSA-N 425.426 4.025 5 20 IIBD Cc1nn(-c2ccc(C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)c(C)c1Cl 769423878 KCJQNGFPQIAJOD-AWEZNQCLSA-N 442.859 4.235 5 20 IIBD Cc1ccc(NC(=O)N(C)C)c(C(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)c1 773428795 JUWZOKJPJNMMLQ-UHFFFAOYSA-N 436.262 4.116 5 20 IIBD CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 774836267 LFLHLBFRFQNKBC-UHFFFAOYSA-N 427.244 4.270 5 20 IIBD Cc1ccc(CNC(=O)c2ccccc2NC(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 775181081 VDEMWLXKPJGEJW-SFHVURJKSA-N 446.507 4.123 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC(C(=O)C(F)(F)F)CC1 775432314 FSOYKAIUHRDLJJ-UHFFFAOYSA-N 444.353 4.076 5 20 IIBD O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 776586735 HQVSNPFJZSYFCS-RBUKOAKNSA-N 438.311 4.428 5 20 IIBD COc1ccc(OC)c(-c2csc(NC(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)n2)c1 777886240 UFWZGLTVWSNBRC-UHFFFAOYSA-N 435.408 4.466 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H]2CC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 778040374 JVELAMWLEULNFH-OAHLLOKOSA-N 440.880 4.122 5 20 IIBD COC(=O)[C@H](NCc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(OC)c(Cl)c1 779185216 BEHGFSYCMCWMJH-MRXNPFEDSA-N 443.681 4.023 5 20 IIBD CC(C)[C@@H](OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)NCc1ccccc1F 781260854 REUXSJBKJAXAHO-XMMPIXPASA-N 446.478 4.318 5 20 IIBD CC(C)[C@@H](NC(=O)COC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccccc1 781672865 GYXVNWSWNFPXIX-GOSISDBHSA-N 435.274 4.028 5 20 IIBD COc1ccc(-c2noc([C@H](C)OC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1 782035182 KJEFNYSJHYQEDH-AWEZNQCLSA-N 438.440 4.172 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](CCOC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 783181212 IOSDZQTUMDXMBD-KRWDZBQOSA-N 447.532 4.002 5 20 IIBD O=C(O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1cccc(F)n1 783205821 OFPCJSSWCMBWEJ-SFHVURJKSA-N 429.791 4.319 5 20 IIBD Cc1ccccc1NC(=O)COC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 787452211 HPANRULXHKVOSL-HOTGVXAUSA-N 425.485 4.181 5 20 IIBD O=C(COC(=O)c1cc(C(F)(F)F)cnc1Cl)Nc1cc([N+](=O)[O-])ccc1Cl 789023047 RTWSKVAHORDIJI-UHFFFAOYSA-N 438.145 4.111 5 20 IIBD Cc1cnc(COC(=O)C[C@@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(C)c1[N+](=O)[O-] 789445438 SEUAUUCGFYUMRA-RHSMWYFYSA-N 435.521 4.323 5 20 IIBD O=C(O[C@@H]1CCc2cccnc21)c1cc(C(=O)O[C@@H]2CCc3cccnc32)cc([N+](=O)[O-])c1 789676336 RRHFKNXRPIWAEA-WOJBJXKFSA-N 445.431 4.073 5 20 IIBD CCC[C@@H](NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)[C@@H](O)c1ccccc1 792570022 GNFAQZBTPHXMIL-GGAORHGYSA-N 436.512 4.089 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NS(=O)(=O)c1c(Cl)ccc(C)c1Cl 793350989 FEFIMTCKLQIXQP-CYBMUJFWSA-N 445.324 4.284 5 20 IIBD CCOc1ccc([C@H]2CCCN2C(=O)COC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc1 796440039 RXWIPZPAQUPDDU-HXUWFJFHSA-N 440.496 4.178 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1 798542452 VKZFBVDVWRFDCJ-UHFFFAOYSA-N 427.335 4.357 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Oc2cccnc2)cc1 807542491 VYIJDZMHLQONAE-ZDUSSCGKSA-N 440.843 4.251 5 20 IIBD COc1cc(-c2nc(CC3CCN(C(=O)OC(C)(C)C)CC3)no2)cc([N+](=O)[O-])c1C 809335453 AYAGENVMWKCUKX-UHFFFAOYSA-N 432.477 4.151 5 20 IIBD O=C(OCc1cc(I)cc([N+](=O)[O-])c1)C1CCC(F)(F)CC1 811038870 UZDIIFZFHYAGAO-UHFFFAOYSA-N 425.169 4.068 5 20 IIBD CN1CCC(N(C[C@@H]2C[C@H]3C=C[C@H]2C3)C(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 813274124 UIGHYVWDTAWITP-JYJNAYRXSA-N 448.361 4.106 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N2CCN(C(=O)OC(C)(C)C)c3ccccc32)cc1[N+](=O)[O-] 813280128 ZEAGQUNPISFAKB-UHFFFAOYSA-N 442.428 4.213 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)C1 814429252 UNUUMYBNJBLPGW-HZPDHXFCSA-N 435.496 4.233 5 20 IIBD CC(C)(C(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1)c1ccccc1[N+](=O)[O-] 816516472 GTBUUMFTHKPOMV-UHFFFAOYSA-N 439.512 4.037 5 20 IIBD Cc1csc(Sc2ccc(C(=O)OCC(=O)N3CCCCCC3)cc2[N+](=O)[O-])n1 849119988 IDYZOCVYMJMBSN-UHFFFAOYSA-N 435.527 4.070 5 20 IIBD CN(Cc1cccc(NCc2c(Br)cccc2[N+](=O)[O-])c1)C(=O)C(F)(F)F 863997395 XUQDTCBXTNKFDJ-UHFFFAOYSA-N 446.223 4.490 5 20 IIBD Cc1c(C(=O)O[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cnn1-c1cccc(Cl)c1 914669828 XWQUVPFPICIYJZ-GFCCVEGCSA-N 446.822 4.065 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)cc2F)C[C@@H](C)O1 916414271 ZKQCQUPNNVSKOX-ZNMIVQPWSA-N 433.505 4.467 5 20 IIBD CSc1ccc(Cl)c(C(=O)NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1 916791505 BCUATUGVIGRQKH-UHFFFAOYSA-N 435.310 4.051 5 20 IIBD Cc1cc2occ(CC(=O)N(C)S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2cc1C 916989546 CKCFBMDPJAGLST-UHFFFAOYSA-N 436.873 4.001 5 20 IIBD CCOc1ccc(N2C(=O)/C(=C\NCc3ccccc3[N+](=O)[O-])c3ccccc3C2=O)cc1 917603580 AUTYIIAABBVXLA-JWGURIENSA-N 443.459 4.311 5 20 IIBD C[C@H](NC(=O)COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(OC(F)(F)F)cc1 918849281 GCGDYSWSAYELDU-JTQLQIEISA-N 446.765 4.181 5 20 IIBD O=C(CC1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1)NC1CCCC1 920056683 ROHVXTNWVJRCTR-UHFFFAOYSA-N 444.410 4.187 5 20 IIBD O=C(Nc1ccc(N2CCc3sccc3C2)nc1)N1CCc2ccc([N+](=O)[O-])cc2C1 1116249845 LFLJACAYNNSABK-UHFFFAOYSA-N 435.509 4.204 5 20 IIBD O=C1c2cccc3cccc(c23)C(=O)N1CCCc1nnc(-c2cccc([N+](=O)[O-])c2)o1 1117203795 MAGZCGCWCPCBRY-UHFFFAOYSA-N 428.404 4.027 5 20 IIBD C[C@@H](OC(=O)c1cc2c(OC(F)(F)F)cccc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 1317941529 FMVUXEIDUHAAJD-SNVBAGLBSA-N 437.330 4.159 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCCc3c(F)cccc3Cl)cc2)c(C)c1[N+](=O)[O-] 1322564073 JGOCVBSWGMKCAD-UHFFFAOYSA-N 430.867 4.221 5 20 IIBD O=C(NCCCOCc1ccccc1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 1324621857 SQNSLXYFWWXOOY-UHFFFAOYSA-N 448.317 4.032 5 20 IIBD Cc1cc(CNCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)nc(N2CCCC2)n1 1326125005 ASYVUHPISGHRQH-UHFFFAOYSA-N 427.892 4.497 5 20 IIBD O=[N+]([O-])c1cc(-c2nnc(-c3ccc(Br)cc3Cl)o2)ccc1-n1cncn1 1326269488 MCXOBWHFKZGQRD-UHFFFAOYSA-N 447.636 4.308 5 20 IIBD CC(C)(C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1)c1ccccn1 1785751372 AKCRWLFUHFBXOV-UHFFFAOYSA-N 448.479 4.308 5 20 IIBD Cc1occc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)CCC2)cc1 1787364567 NYAWDCAPELETGV-UHFFFAOYSA-N 435.436 4.263 5 20 IIBD C[C@H](Oc1ccccc1)C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1 1790186107 HMAFCSZLHFFUPM-INIZCTEOSA-N 448.479 4.138 5 20 IIBD CC(C)(C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1)c1ccccn1 1790188664 ZUKYTTCDWBYSHG-UHFFFAOYSA-N 447.495 4.043 5 20 IIBD Cc1ccc2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3ccc([N+](=O)[O-])[nH]3)sc2c1 1799482688 WOVQRJSLVUOPSE-MUJYYYPQSA-N 438.509 4.012 5 20 IIBD CC1(C)CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccc([N+](=O)[O-])o3)CC2)C1 1824278513 KCLQFZJJXTYUKJ-IEJURRBGSA-N 443.544 4.257 5 20 IIBD CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccccc3[N+](=O)[O-])CC2)CC1 1832903127 QKNCMCHNCIGTNU-XTXLJPNXSA-N 425.529 4.028 5 20 IIBD COc1ccc(-n2c(SCC(=O)c3cccc([N+](=O)[O-])c3)nnc2-c2ccco2)cc1 2454065 GWTXNSACFONEQK-UHFFFAOYSA-N 436.449 4.419 5 20 IIBD Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9458082 MDIBPDAAQGTGCW-UHFFFAOYSA-N 449.341 4.373 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Cl)Nc1nc(-c2ccc(F)cc2)cs1 11028728 GYAGINGFXZOQDE-UHFFFAOYSA-N 435.820 4.306 5 20 IIBD COc1cc(COC(=O)c2cc([N+](=O)[O-])ccc2Cl)c([N+](=O)[O-])cc1OC(F)F 12488207 NLKWAXAVCWSCSQ-UHFFFAOYSA-N 432.719 4.123 5 20 IIBD COc1ccccc1Oc1ccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1 16303762 DAHHCHKDTIQLAM-UHFFFAOYSA-N 431.408 4.229 5 20 IIBD COc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1[N+](=O)[O-] 17356558 ZLHXAOHDIJRAGW-UHFFFAOYSA-N 431.492 4.151 5 20 IIBD COc1ccccc1-c1nnc(S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1C 17708886 XCKWHWBEMFIDFC-GFCCVEGCSA-N 438.469 4.302 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1sc(-c2ccc(F)cc2)nc1C 18017874 OIIBQMFTIBJKSB-UHFFFAOYSA-N 429.429 4.270 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Sc1nnc(-c2cccs2)o1 18056002 NJZAXZOGOFHLFA-UHFFFAOYSA-N 437.402 4.151 5 20 IIBD O=C(c1ccccc1)c1ccc(NCc2ccccc2CN2CCOCC2)c([N+](=O)[O-])c1 18061403 YGAKEXXFAHWZHS-UHFFFAOYSA-N 431.492 4.270 5 20 IIBD COc1ccc(C)cc1NC(=O)COC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 28612745 HNCFCPKIKGJGDV-UHFFFAOYSA-N 449.463 4.319 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N(CCN(C)C)c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 58296927 NMRMJIXIUVEWQB-GOSISDBHSA-N 433.512 4.371 5 20 IIBD CCN(C(=O)Cc1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 59339324 DNUKFMXUVCJGTD-UHFFFAOYSA-N 433.464 4.208 5 20 IIBD CN(C)C(=O)c1ccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1Cl 64935393 KKMINSBCKBIBNF-UHFFFAOYSA-N 430.873 4.326 5 20 IIBD O=C(Nc1ccc(Cl)cc1F)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 71794441 MBZJAMJECQMIRV-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD CC(C)n1c(C2CCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)CC2)n[nH]c1=S 97555190 UEFPVSXNWRSMAQ-UHFFFAOYSA-N 432.550 4.028 5 20 IIBD O=C(c1ccc(N[C@H](c2ccccc2)c2ccc(F)cc2)c([N+](=O)[O-])c1)N1CCOCC1 301083684 IMRCPLSFAGXVNQ-HSZRJFAPSA-N 435.455 4.408 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCCc2sc(C)nc2C)cc1 303296457 BVZVFNZBWGNKDK-UHFFFAOYSA-N 427.482 4.442 5 20 IIBD Nc1c(C(=O)N2CCC(F)(c3ccccc3OC(F)(F)F)CC2)cccc1[N+](=O)[O-] 410169908 IMCWRMBLSIBVTC-UHFFFAOYSA-N 427.354 4.177 5 20 IIBD Cc1c(NC(=O)CCN(C)[C@@H](c2ccc(Cl)cc2)c2cnccn2)cccc1[N+](=O)[O-] 426856077 JPTDEWIKEBYFFB-QFIPXVFZSA-N 439.903 4.397 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccnn1Cc1cccc(Br)c1 429745637 UQMZXJXQGLYJGR-UHFFFAOYSA-N 444.289 4.266 5 20 IIBD Cc1cc2c(N3CCC[C@H]3C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)ncnc2s1 432739666 AHHGPDIOKMEBMY-YOEHRIQHSA-N 425.514 4.063 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)c1 435375762 WHKSOKDZWMOFON-QGZVFWFLSA-N 437.525 4.213 5 20 IIBD COc1ccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1NC(C)=O 435941200 KTFRAGZLSDHLDR-UHFFFAOYSA-N 437.402 4.179 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC[C@H]1c1cccc2c1OCCO2 436346867 QLVNJXAAPJAGBG-QFIPXVFZSA-N 426.472 4.430 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Br)c(O)c(Br)c1 436640267 OKTAXADHHDRQHW-UHFFFAOYSA-N 430.052 4.386 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(-c2nc(-c3cc(Br)c(O)c(OC)c3)no2)c1 436879425 NJNHEGJRKCIHAO-UHFFFAOYSA-N 436.218 4.187 5 20 IIBD Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437345280 IHOBJYNYGSTOBU-MRXNPFEDSA-N 439.415 4.076 5 20 IIBD COC(=O)COc1c(C)cc(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)cc1C 437559248 OCSFNDXKDHQTSI-UHFFFAOYSA-N 426.469 4.353 5 20 IIBD O=C(NC1(c2noc([C@@H]3CCOC3)n2)CCCCCC1)c1ccc(Cl)cc1[N+](=O)[O-] 439932738 HQEOWYWAZUEJDR-CYBMUJFWSA-N 434.880 4.115 5 20 IIBD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC(O)(Cc2cccc(F)c2)CC1 444340343 LFMZKMBPDFXZNF-UHFFFAOYSA-N 430.479 4.030 5 20 IIBD O=C(NCc1ccc(OCc2cccc(F)c2)cc1)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444873327 JVTRJPFBDAOFGF-UHFFFAOYSA-N 449.442 4.189 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccccc2F)C2CCCC2)cc1OC 446425226 JHSOOHQIABIXAJ-JOCHJYFZSA-N 446.475 4.429 5 20 IIBD COc1cccc([C@@H](CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])N(C)C)c1 447674442 CSGIXOYKDMODNO-CQSZACIVSA-N 434.365 4.367 5 20 IIBD CC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1I 460317209 GCZPGSWLGSOFAZ-CQSZACIVSA-N 438.265 4.293 5 20 IIBD COc1ccc(-n2c(NC(=O)c3cc(OC)c(OC)c([N+](=O)[O-])c3)nc3ccccc32)cc1 460386304 ICEHFMMAFJLKOV-UHFFFAOYSA-N 448.435 4.212 5 20 IIBD COc1ccc(CCNc2nnc(S[C@H](C)c3ccccc3[N+](=O)[O-])s2)cc1OC 463046208 WLAIBVZKYMJRPH-CYBMUJFWSA-N 446.554 4.971 5 20 IIBD COc1cc(CN[C@H](c2cc(OC)c(OC)c(OC)c2)C(F)(F)F)c([N+](=O)[O-])cc1F 464491356 VSHXJWLVIRLLBQ-GOSISDBHSA-N 448.369 4.162 5 20 IIBD O=C([C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1CCC(=Cc2ccccc2F)CC1 465090725 NOZVOYLNJWSAEX-GOSISDBHSA-N 443.500 4.106 5 20 IIBD C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[S@@](=O)Cc1cc([N+](=O)[O-])cc2c1OCOC2 467248072 JRYUJEZGUYCBKW-FDECTACXSA-N 449.872 4.175 5 20 IIBD CC(C)(C)Cc1nc2cc(NC(=O)C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)ccc2o1 467860460 AJRRNWZLTDDJAV-UHFFFAOYSA-N 444.875 4.233 5 20 IIBD COCC1(O)CCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CC1 467995380 PXBSFGSGIIMHLW-UHFFFAOYSA-N 436.917 4.013 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 468096569 LZEVXMOOWJEIMK-OAQYLSRUSA-N 437.883 4.157 5 20 IIBD CS(=O)(=O)c1cccc([C@@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c2ccccc2)c1 470152449 MWOGFBOQFMADHE-FQEVSTJZSA-N 443.456 4.049 5 20 IIBD CC(C)(CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(C(F)(F)F)cc1 471031479 NBNFLTWQOCKBPT-UHFFFAOYSA-N 443.809 4.300 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)OC(C)C 471535973 HWOGJCCNJILEMY-GOSISDBHSA-N 437.290 4.262 5 20 IIBD Cc1cc(-c2noc([C@@H](C)NC(=O)c3ccc([N+](=O)[O-])cc3Br)n2)ccc1F 472414276 LPOZJKIXHJMROU-SNVBAGLBSA-N 449.236 4.346 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(N3CCO[C@H](c4ccc(F)c(Br)c4)C3)n2)cc1 475738166 OVTHFSJTLZNESU-INIZCTEOSA-N 449.236 4.124 5 20 IIBD Cc1ccc(NC(=O)c2ccc(N3CCC(N4CCCCC4=O)CC3)c([N+](=O)[O-])c2)cc1 477158682 USOLSWKYKRBFDW-UHFFFAOYSA-N 436.512 4.137 5 20 IIBD CN(C)C(=O)Nc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1 478557971 DFIIMMGTXGXAGP-UHFFFAOYSA-N 447.495 4.230 5 20 IIBD COc1cc(C(=O)Nc2cccc(-n3cc(C(F)(F)F)cn3)c2)c([N+](=O)[O-])cc1OC 478647102 RNZRGSXNIBIUOM-UHFFFAOYSA-N 436.346 4.069 5 20 IIBD Cc1cc(OCC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)c(F)cc1[N+](=O)[O-] 479191146 OVCFNMSBLCHQNN-JOCHJYFZSA-N 432.448 4.096 5 20 IIBD Cc1sc(NC(=O)C2CCC(NC(=O)C3CC3)CC2)nc1-c1cccc([N+](=O)[O-])c1 483344841 HXFPSKNBJKXPBS-UHFFFAOYSA-N 428.514 4.050 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1cccc(-c2nnc3n2CCC3)c1 485615531 OVBMIECSGVMGLJ-UHFFFAOYSA-N 446.389 4.140 5 20 IIBD CCOc1cc(NC(=O)N2CCC[C@@H](Oc3ncccc3F)C2)c([N+](=O)[O-])cc1OCC 486651351 NDMNQDNKZRYLGQ-CQSZACIVSA-N 448.451 4.002 5 20 IIBD Nc1c(C(=O)Nc2nc3cc(C(F)(F)F)ccc3n2Cc2ccco2)cccc1[N+](=O)[O-] 487310377 XUFUAUSVSHMZFZ-UHFFFAOYSA-N 445.357 4.439 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCc2ccc(Br)cc21 487562658 FVSALRXHEUOOSR-UHFFFAOYSA-N 430.302 4.163 5 20 IIBD C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 488509450 DHAYWWJGLOWVGW-APWZRJJASA-N 431.920 4.044 5 20 IIBD O=[N+]([O-])c1ccn(C2CCN([C@H](c3ccccc3)c3nc(-c4ccccc4)no3)CC2)n1 489044972 RRSZRZVBOMCBFC-OAQYLSRUSA-N 430.468 4.268 5 20 IIBD C[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1nc(-c2cccc(F)c2)no1 491399075 ZNYIZRZWEWJIDH-CYBMUJFWSA-N 425.420 4.219 5 20 IIBD CCOc1cc(CSc2nc3ccccc3c(=O)n2C[C@@H]2CCCO2)ccc1[N+](=O)[O-] 491963944 YXOHVIZEGGOHGW-INIZCTEOSA-N 441.509 4.175 5 20 IIBD O=C(NCCn1cc([N+](=O)[O-])cn1)Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1 494173155 OWMUNOVUWZLEPD-UHFFFAOYSA-N 435.362 4.424 5 20 IIBD COc1cc(OCC(=O)N[C@@H](C)[C@@H](C)c2ccccc2C(F)(F)F)ccc1[N+](=O)[O-] 500145636 SRFXYGGOXWWNAM-OLZOCXBDSA-N 426.391 4.309 5 20 IIBD Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 501597005 SNIGXWPEENFWEE-HIFRSBDPSA-N 438.509 4.022 5 20 IIBD CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 503741116 VCWLKLJDTOUUKM-UHFFFAOYSA-N 440.847 4.225 5 20 IIBD CCN(C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](C)c1cc2ccccc2o1 507953990 VAMDUPJGTBCHCT-CYBMUJFWSA-N 427.482 4.142 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](Cn1ccccc1=O)c1ccccc1 508785889 SVYVXPUBXFMONN-JOCHJYFZSA-N 434.496 4.118 5 20 IIBD COc1cc(C(=O)NCc2ccc(F)c(C)c2)c([N+](=O)[O-])cc1OCc1cscn1 509876292 CTUIMSNTMVCXFX-UHFFFAOYSA-N 431.445 4.016 5 20 IIBD COc1cc(C(=O)Nc2ccc(C(C)=O)cc2)c([N+](=O)[O-])cc1OCc1cscn1 511121182 CVUAJBTZKZBKPW-UHFFFAOYSA-N 427.438 4.094 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 512277648 MLQCOPADMCUTGA-UUOWRZLLSA-N 433.512 4.304 5 20 IIBD O=C(CCCNC(=O)c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 512298230 DHDHIEAADGMMOK-UHFFFAOYSA-N 449.438 4.114 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(C)C 512589780 BKJATACIIBRQNQ-HSZRJFAPSA-N 435.480 4.079 5 20 IIBD COc1cc(OCC(=O)Nc2cccc(CSc3ccccn3)c2)ccc1[N+](=O)[O-] 512601253 FDMMEKQSQCRPJN-UHFFFAOYSA-N 425.466 4.308 5 20 IIBD COc1ccc(-c2nc(CC(=O)N3CCCc4c3cccc4[N+](=O)[O-])cs2)cc1OC 513841135 MJUJOQFKVSXDLI-UHFFFAOYSA-N 439.493 4.257 5 20 IIBD O=C(c1ccc(NCC2(c3c(F)cccc3F)CCCC2)c([N+](=O)[O-])c1)N1CCOCC1 519156329 BXJSUPAUNNTCMU-UHFFFAOYSA-N 445.466 4.269 5 20 IIBD O=C(NCc1cccc(Br)c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 519936814 HJWQZZWYBDPRSL-UHFFFAOYSA-N 433.180 4.228 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccccc2Cl)C(C)C)cc1OC 523709309 NWTBFPYDAJWBPT-HXUWFJFHSA-N 436.892 4.409 5 20 IIBD CCC[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 524644254 CUTBJVIULSDDBN-GMAHTHKFSA-N 437.540 4.426 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@H](c1ccncc1)c1ccc(Cl)cc1 531381053 SQYIKRAADOEAHM-FQEVSTJZSA-N 431.901 4.362 5 20 IIBD COc1cc(F)c(NC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cc1F 532083328 LMPDHDFVGMAPEX-HNNXBMFYSA-N 437.399 4.086 5 20 IIBD COc1ccc([C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)c2ccccc2OC)cc1 533959004 ZHUKZCAGAQIQOM-QHCPKHFHSA-N 435.480 4.243 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(OC(F)(F)F)cc1Br 534608874 RWMKCQLHHBYUHR-UHFFFAOYSA-N 435.152 4.273 5 20 IIBD Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 534700532 KVZOLAVZSLJLRM-GOSISDBHSA-N 447.491 4.341 5 20 IIBD O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CCCN(Cc2ccc(F)cc2)CC1 536850348 FUEWPAQWDMZIJD-UHFFFAOYSA-N 434.471 4.144 5 20 IIBD C[C@H](NCc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 536879469 XJPOHVDXTHLRDJ-HNNXBMFYSA-N 445.566 4.424 5 20 IIBD COCCOc1c(Cl)cc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1Cl 536904486 IWMPCFMKOUTRPI-UHFFFAOYSA-N 435.285 4.036 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 538244972 XYDKDKPGKNMLDA-PKOBYXMFSA-N 436.917 4.247 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 539893450 ZRWIXACZQIATTI-UHFFFAOYSA-N 430.289 4.386 5 20 IIBD CC1(C)CC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c2ccccc21 539895457 VZFCECNFHXHKEK-QAPCUYQASA-N 441.553 4.232 5 20 IIBD O=C(CN1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1)Nc1ccc([N+](=O)[O-])cc1Cl 540862707 JAOKCFVVAIXXSV-OAHLLOKOSA-N 446.939 4.232 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N[C@H](CCO)c2ccccc2Br)cc1[N+](=O)[O-] 541038078 PRONFHKCOOUXDM-SUMWQHHRSA-N 436.306 4.150 5 20 IIBD Cc1cc(C(=O)NCC(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)ccc1[N+](=O)[O-] 541095975 RXFHAMXOGUJKEB-UHFFFAOYSA-N 425.391 4.217 5 20 IIBD C[C@@H](C(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1)c1ccc([N+](=O)[O-])cc1F 542533230 DOGMHMWLHCUSRD-MRXNPFEDSA-N 442.491 4.291 5 20 IIBD Cc1c(CC(=O)N2CCC(Oc3cccc(Br)c3)CC2)cccc1[N+](=O)[O-] 544763201 SZRPCUFTGSXPTH-UHFFFAOYSA-N 433.302 4.278 5 20 IIBD CC(C)(C(=O)NCc1cccc(NC(=O)C2CCCC2)c1)c1ccc([N+](=O)[O-])cc1F 547241496 OXMIOVQOMHYFTC-UHFFFAOYSA-N 427.476 4.457 5 20 IIBD CCc1ccc([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCCC(=O)OC)C2)cc1 554409197 LIPAAGXZKIWLRO-SFHVURJKSA-N 442.537 4.442 5 20 IIBD O=[N+]([O-])c1cccc(N(Cc2ccc(Cl)cn2)S(=O)(=O)c2ccc(F)c(F)c2)c1 555286989 CFDMUMFTUYKKGG-UHFFFAOYSA-N 439.827 4.317 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCc1nc(-c2ccccn2)cs1 555879745 OCEUXOUOYQIOAH-UHFFFAOYSA-N 447.314 4.157 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)Cc1c(Br)cncc1Br 562207060 TWSHNRBQHUESCK-UHFFFAOYSA-N 429.112 4.189 5 20 IIBD CC(=O)N[C@@H]1CC[C@H](C(F)(F)F)N(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 571601806 CCYCYWANSAFLDX-RDTXWAMCSA-N 427.448 4.355 5 20 IIBD O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 572330243 GYAGLEWXFOFLDZ-MRXNPFEDSA-N 430.766 4.361 5 20 IIBD COc1cccc(CNC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c1OC1CCCC1 573260656 DJPLXHCBYPUALL-UHFFFAOYSA-N 441.484 4.029 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CC[C@@]2(CCc3ccccc3O2)C1 583055029 AKTRJSXDWCLTAV-FQEVSTJZSA-N 436.386 4.146 5 20 IIBD CC[C@@H](C)COc1cc([N+](=O)[O-])c(Cn2cc(Br)cc(F)c2=O)cc1OC 584238623 NAKDJXFFZIJRDG-LLVKDONJSA-N 443.269 4.140 5 20 IIBD O=C(c1cccc(NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1)N1CCC[C@H](CO)C1 600853804 FXTNPNMKRGSWGF-AWEZNQCLSA-N 437.418 4.070 5 20 IIBD COc1ccc2[nH]cc(C3=CCN(C(=O)c4ccc(-n5ccnc5)c([N+](=O)[O-])c4)CC3)c2c1 603639831 MPNQENGHOQRHLH-UHFFFAOYSA-N 443.463 4.200 5 20 IIBD CCN(CC)C(=O)COc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Cl 603738695 ICJJZWFOCORDPH-UHFFFAOYSA-N 445.859 4.494 5 20 IIBD Cc1cccc(Oc2ncccc2NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c1C 604003969 CGJGKHZEEZWYJU-UHFFFAOYSA-N 434.452 4.158 5 20 IIBD C[C@H]1CN(Cc2ccccc2NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)O1 604448038 DFHANQHNLFIEHJ-XHSDSOJGSA-N 447.919 4.263 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N(Cc2ccccc2F)CC(C)C)ccc1[N+](=O)[O-] 608804036 KQXBHIPYUPXSPF-QFIPXVFZSA-N 441.503 4.332 5 20 IIBD CC[C@@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)c1nnc2n1CCCCC2 609357698 WTADPZRRQLRPHH-GOSISDBHSA-N 440.548 4.030 5 20 IIBD COc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 609673687 DUGKYHHWVKRDFH-UHFFFAOYSA-N 426.494 4.303 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)cc([N+](=O)[O-])c1 609884457 BKBZOQAKBUBEKA-UHFFFAOYSA-N 440.433 4.133 5 20 IIBD Cc1c(Br)cc(C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)cc1[N+](=O)[O-] 611073271 RVOCZWMTBKLIOO-KRWDZBQOSA-N 432.318 4.012 5 20 IIBD COCCN(C(=O)C[C@H](C)c1c(C)noc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 611091017 HRXWBUHTIFVYFU-ZDUSSCGKSA-N 444.513 4.496 5 20 IIBD Cc1ccc2c(COC(=O)c3cc([N+](=O)[O-])ccc3Br)cc(=O)oc2c1C 725985860 PZULBPZMYKBBFO-UHFFFAOYSA-N 432.226 4.438 5 20 IIBD Cc1ccccc1[C@H](C)NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Br 725986197 TYVMWHIVIUATKP-STQMWFEESA-N 435.274 4.088 5 20 IIBD Cc1ccc2nc([C@H]3CCCN(C(=O)c4cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c4C)C3)[nH]c2c1 727488350 OWAICWLLPHLRQU-HNNXBMFYSA-N 437.456 4.324 5 20 IIBD Cc1ccccc1-c1nc(C(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cs1 727632526 BPGHZBIVEVXJKA-UHFFFAOYSA-N 438.509 4.495 5 20 IIBD CNc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)Cc3ccccc32)cc1[N+](=O)[O-] 728030382 DJIXMNJGPPVRPR-UHFFFAOYSA-N 426.473 4.034 5 20 IIBD Cc1cccc(C)c1OCc1nnc(SCc2cc([N+](=O)[O-])ccc2OC(C)C)n1N 729152050 AGVFAANOBMSRNY-UHFFFAOYSA-N 443.529 4.175 5 20 IIBD C[C@@H](OC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)Nc1c(F)c(F)c(F)c(F)c1F 730644738 FRRPCPWUPVCOJT-RXMQYKEDSA-N 438.692 4.128 5 20 IIBD CC(C)(Oc1ccc(Cl)cc1)C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730708900 SEBIOVHCYATNLS-MRXNPFEDSA-N 446.887 4.254 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccc(-c3nc(-c4ccc(F)cc4)no3)cc2)c1 731786579 OWRQIXVJLBBZIZ-UHFFFAOYSA-N 441.396 4.219 5 20 IIBD C[C@@H](OC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1nc2ccc(Cl)cc2[nH]1 732517100 GKVAKHHCAXJCNC-LLVKDONJSA-N 444.831 4.117 5 20 IIBD C[C@H](OC(=O)Cc1ccc(Cl)cc1Br)C(=O)Nc1cccc([N+](=O)[O-])c1 733605289 JHILEIRRDPUJIG-JTQLQIEISA-N 441.665 4.124 5 20 IIBD COc1ccc(C2=N/C(=C\c3c(-c4ccccc4)nn(C)c3Cl)C(=O)O2)cc1[N+](=O)[O-] 734768993 XRVTUQYYBZFPNS-PTNGSMBKSA-N 438.827 4.002 5 20 IIBD O=C(NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F)c1cc(Cl)cc([N+](=O)[O-])c1 737338548 ANCFINMDGSTQBG-UHFFFAOYSA-N 443.186 4.039 5 20 IIBD C[C@H](NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1Cl 740409939 JXKRAEHNVQMEAG-JTQLQIEISA-N 441.665 4.045 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(Br)cc1 740411352 YHGYGTKXUBKKPA-UHFFFAOYSA-N 443.047 4.160 5 20 IIBD O=C(Nc1ccc(NC(=O)c2ccccc2)nc1)c1ccc(Br)c([N+](=O)[O-])c1 741972994 RUEVBMHMTWZHNK-UHFFFAOYSA-N 441.241 4.257 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H]1CCCN(c2ccccc2Cl)C1=O 744498906 ZTBQPZRAQCMNMR-ACJLOTCBSA-N 434.901 4.468 5 20 IIBD Cc1ccc(-c2cnc(COC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)o2)cc1 744927458 MDYOBNNPQZCZKF-FQEVSTJZSA-N 449.463 4.215 5 20 IIBD COc1cc(COC(=O)[C@H]2SCCc3sccc32)c([N+](=O)[O-])cc1OC(F)F 745634518 AGZRHYZZIUVBGO-HNNXBMFYSA-N 431.438 4.340 5 20 IIBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Oc1ccc2cc(Br)ccc2c1 746176119 WJTGPCLVHWXHHJ-UHFFFAOYSA-N 426.219 4.417 5 20 IIBD O=C(c1ccc2c(c1)OCO2)N1CCN(C(=O)c2c3ccccc3cc3ccccc23)CC1 746512108 IOELWYCLHHEFAK-UHFFFAOYSA-N 438.483 4.320 5 20 IIBD O=C(/C=C/c1ccccc1)N1CCC(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 746936652 CBOAGQVMDNITIW-JLHYYAGUSA-N 433.508 4.038 5 20 IIBD Cc1nn(Cc2ccc(C(=O)O[C@H](c3ccccn3)C(F)(F)F)cc2)c(C)c1[N+](=O)[O-] 747350500 ARONYIDBMIGECO-GOSISDBHSA-N 434.374 4.312 5 20 IIBD Cc1c(CC(=O)OCC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] 748477480 XQOGLEGUPURFQH-LBPRGKRZSA-N 425.268 4.173 5 20 IIBD Cc1onc(-c2ccc(F)cc2)c1C(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 750428573 SOCPFYXVSRGEJX-UHFFFAOYSA-N 440.431 4.166 5 20 IIBD CCOc1ccccc1NC(=O)[C@@H](C)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 750617815 WMSLDTROVIJBAD-CYBMUJFWSA-N 448.317 4.141 5 20 IIBD Cc1nc(Cl)ccc1C(=O)O[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 751772874 RICXJFQWFCHRMY-NSHDSACASA-N 446.872 4.259 5 20 IIBD O=C1NC[C@H](COC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])O1 752146227 NDMUNKUMXWYSFK-LLVKDONJSA-N 442.371 4.030 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]21 752387560 GYYRXGQRUMCVAU-IVMMDQJWSA-N 438.912 4.405 5 20 IIBD Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)Cc1ccc([N+](=O)[O-])cc1Br 755143076 UEPXTRPPPCBYOG-FXAWDEMLSA-N 444.329 4.043 5 20 IIBD COc1cc(CNCc2cn(-c3ccccc3)nn2)c([N+](=O)[O-])cc1OCc1ccccc1 756140874 SUAREIXZEDPLPE-UHFFFAOYSA-N 445.479 4.053 5 20 IIBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 759074771 ACTKFTCDGMIRBI-UHFFFAOYSA-N 444.366 4.048 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(NC[C@@]3(Cc4ccc(F)cc4)CCC[C@H]3O)CC2)cc1 760035524 ANPKVQCJPGOHGR-RPWUZVMVSA-N 427.520 4.066 5 20 IIBD CN(CC1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1)C(=O)OC(C)(C)C 760829639 GJTUAWZRIKVSOX-UHFFFAOYSA-N 430.505 4.329 5 20 IIBD C[C@H](OC1CCCCCC1)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 761322046 ORNXUNFESLDUPZ-LBPRGKRZSA-N 432.395 4.223 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 763814748 NVPFOCYSSZBOFS-UHFFFAOYSA-N 430.398 4.022 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)OC[C@@H]1CCCN(C(=O)c2ccc(C)o2)C1 764614383 SDXVRMLYAMAOCC-OAHLLOKOSA-N 432.498 4.317 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3cc(Cl)cc(C(=O)O)c3)cc2)c(C)c1[N+](=O)[O-] 767183310 AVPSMFLTRSEUKM-UHFFFAOYSA-N 428.832 4.060 5 20 IIBD CN(C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)[C@@H]1CCCCNC1=O 767945802 CAMGKZHLALCQGL-QGZVFWFLSA-N 433.917 4.140 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCCCOc1ccccc1F 768543685 DGMGEQPIQMOESP-UHFFFAOYSA-N 432.395 4.430 5 20 IIBD CCSCc1cc(C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)no1 769735102 IQFZQAAAIJYNRY-UHFFFAOYSA-N 427.438 4.307 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)C(C)(C)c1cccc(Cl)c1F 772478183 LJFLPYZQZVEYDU-NSHDSACASA-N 438.839 4.244 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1nnc(-c2c(F)cccc2Cl)s1 774927339 DTBCKJMJUXUNPM-UHFFFAOYSA-N 426.788 4.062 5 20 IIBD CN(C)c1ccc(C2CCN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])CC2)cc1 775548530 UTBCMGPLIHLNOQ-UHFFFAOYSA-N 439.484 4.041 5 20 IIBD CSc1cccc(C(=O)O[C@@H](C(=O)Nc2cccc(NC(C)=O)c2)C(C)C)c1[N+](=O)[O-] 777077097 CGYXCAAFEZBQPT-LJQANCHMSA-N 445.497 4.095 5 20 IIBD CCc1cc(C(=O)O[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)cc(O)n1 778176319 ZPROCXAWXWALSJ-OAQYLSRUSA-N 435.436 4.103 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CC[C@H](COC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 778860673 MYBSXGCRGBUGHL-JCNLHEQBSA-N 444.488 4.021 5 20 IIBD O=C(OCCOc1cccc([N+](=O)[O-])c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781255974 HMVXUMUHFJDMON-UHFFFAOYSA-N 440.358 4.104 5 20 IIBD C[C@@H](OC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C(=O)N(C)C1CCCCC1 781256970 IIITXESUCGPNFQ-CYBMUJFWSA-N 442.462 4.296 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1nc(Sc2ccccc2)ns1 781972244 PRKPZRGSLDDBQT-UHFFFAOYSA-N 431.455 4.077 5 20 IIBD COc1ccc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 782467180 IRKIQFAPEAAWMY-CYBMUJFWSA-N 437.412 4.332 5 20 IIBD CC(C)C[C@@H](CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N[C@H](C)c1ccccc1 783323224 JEZVFRKUURSIQE-WBVHZDCISA-N 446.935 4.068 5 20 IIBD O=C(OCc1cc(-c2cccc(F)c2)on1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 786772738 QTHGDGARYKZPRC-UHFFFAOYSA-N 425.416 4.349 5 20 IIBD CC(C)(C)OC(=O)N1CCc2c(cccc2NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 789673579 WGPFTSSLQURHDG-UHFFFAOYSA-N 428.445 4.408 5 20 IIBD COC(=O)c1ccc(C(F)(F)F)nc1SCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 790283829 KTDGRKIWPFJVEW-UHFFFAOYSA-N 449.794 4.179 5 20 IIBD CN(C)CC1CCN(c2ccc(NC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])cc2)CC1 790554175 GIHLQQMRUACHFJ-UHFFFAOYSA-N 448.926 4.347 5 20 IIBD CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 791260487 BOIHSCBDRNGSRF-QGZVFWFLSA-N 442.903 4.101 5 20 IIBD O=C(Nc1nnc(-c2ccc(Cl)cc2F)s1)c1cc([N+](=O)[O-])c2nsnc2c1 792542465 WMYQLIWTTYTJAQ-UHFFFAOYSA-N 436.837 4.163 5 20 IIBD C[C@@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(Br)cn1 797637614 CGBCHWILTATINE-MRVPVSSYSA-N 444.083 4.398 5 20 IIBD O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@H](F)c1ccc(C(F)(F)F)cc1 801895187 KYQYWAZGWNFKQT-INIZCTEOSA-N 442.321 4.166 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CCC([C@@H](F)c2ccccc2F)CC1 807298633 FYVBPRVYCOPOTR-GOSISDBHSA-N 435.402 4.069 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)c(SC(=O)N(C)C)c2)cc1[N+](=O)[O-] 808117490 VPMOMEVFWOTUIV-UHFFFAOYSA-N 443.934 4.440 5 20 IIBD O=C(NCc1cc(Br)c2c(c1)OCCO2)Nc1cccc([N+](=O)[O-])c1Cl 809913252 BFXFVYDPOTZEBP-UHFFFAOYSA-N 442.653 4.104 5 20 IIBD COc1cc(Br)c(CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)cc1OC 809920086 MLUUFTLPAUUYLL-UHFFFAOYSA-N 444.669 4.350 5 20 IIBD O=C(Nc1cc(C2CC2)ccn1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 810326621 OJLTUZCFGGLDOK-UHFFFAOYSA-N 435.406 4.240 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811373289 BNXLMKNEEBPKEJ-UHFFFAOYSA-N 439.167 4.217 5 20 IIBD CCNC(=S)/C(=C(/O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1cc(O)cc(-c2ccccc2)c1 811722754 RPAWFYBVJFCLCK-UHFFFAOYSA-O 436.513 4.384 5 20 IIBD C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N3CCC(F)(F)[C@H](C)C3)c2[N+](=O)[O-])CCC1(F)F 811848886 YLEODDOEVWJVDI-VXGBXAGGSA-N 434.390 4.466 5 20 IIBD CC[C@@H](C)c1ccc(N2C(=S)N[C@H](c3ccc([N+](=O)[O-])o3)C(C(=O)N(C)C)=C2C)cc1 812734623 OUHAEGFQPOAWQW-ZUOKHONESA-N 442.541 4.499 5 20 IIBD O=C(NCc1ccc(NC(=O)C(F)(F)F)cc1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 815170533 VSSVNEAAWAHIEE-UHFFFAOYSA-N 435.280 4.044 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cccc(Oc3cnccn3)c2)c1Cl 821144972 NAOMCCLGOUSZMM-UHFFFAOYSA-N 441.252 4.285 5 20 IIBD CC(C)[C@@H](OC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C(=O)Nc1cccc2ncccc12 878215766 IRIHXKHHBWKHAX-OAQYLSRUSA-N 432.436 4.444 5 20 IIBD CC(C)[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)N[C@@H]1CCCC[C@H]1C 878473300 XJUSYNPVKWFAMR-OFUUFJSKSA-N 448.563 4.417 5 20 IIBD COc1ccc(N2C(=O)/C(=C/Nc3cccc([N+](=O)[O-])c3)c3ccccc3C2=O)cc1OC 912742471 XUPDQGQVMYLHPV-XSFVSMFZSA-N 445.431 4.252 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1OC 916413280 HYFQJVRYSUGXCB-ZIAGYGMSSA-N 447.463 4.007 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2F)C[C@H](C)O1 916413331 ROKFEFISMAMBCA-HOTGVXAUSA-N 442.491 4.200 5 20 IIBD O=C(Nc1ccccc1N1CCCCCC1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 918559359 PILXSMGQUGINHU-MRXNPFEDSA-N 440.475 4.106 5 20 IIBD C[C@@H](OC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc2ncccc12 920778441 JJWJMIVOCYVMEK-CHWSQXEVSA-N 443.843 4.134 5 20 IIBD C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(N2CCCC2=O)cc1 920948474 NWPKAGWLFQLEJI-SFHVURJKSA-N 439.515 4.159 5 20 IIBD CCN(Cc1ccccc1F)C(=O)c1ccc([N+](=O)[O-])cc1I 1251447118 DOBJIWVVKBNBDA-UHFFFAOYSA-N 428.201 4.001 5 20 IIBD O=[N+]([O-])c1cc(Cl)c(OS(=O)(=O)Cc2ccc(Br)cc2F)cc1F 1257433134 ZJMXLQJXNIKEED-UHFFFAOYSA-N 442.621 4.198 5 20 IIBD O=C(Nc1ccn(C2CCCCC2)n1)c1ccc(I)c([N+](=O)[O-])c1 1343783029 JMILWKLTGDJUOH-UHFFFAOYSA-N 440.241 4.153 5 20 IIBD Cc1sc(-n2cccc2)c(C(=O)OCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C 1343989077 AGDMGNAYLNKNPO-UHFFFAOYSA-N 447.900 4.304 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3c[nH]c4cnccc34)CCC2)cc1)c1ccc([N+](=O)[O-])o1 1785750389 HSZCSAFTYAPOFT-UHFFFAOYSA-N 445.435 4.126 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC1(c2ccc(NC(=O)/C=C/C3CC3)cc2)CCC1 1786161062 VTDGHCGEEHRPDS-AWNIVKPZSA-N 448.523 4.375 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1)c1cc2sccn2c1 1790185857 YBBMPOAOYMDJNV-UHFFFAOYSA-N 449.492 4.299 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccccc1 1801207068 KIOXGUMXVSYJII-BCDXTJNWSA-N 435.505 4.375 5 20 IIBD CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3cccc([N+](=O)[O-])c3)[nH]n2)CCCC1 1814527386 ZAVFPQIQFDVXIH-IBGZPJMESA-N 439.516 4.133 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])[nH]n1)c1cccs1 1816345090 FBZABDRJULWJGT-HNNXBMFYSA-N 443.460 4.138 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/C2CC2)CC1 1824215065 SYXOHHPVRJIEBM-TYOLEZHBSA-N 443.519 4.242 5 20 IIBD O=C([C@@H]1CC=CCC1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830612719 JTGQRZZGBUQIEQ-GCJKJVERSA-N 443.519 4.324 5 20 IIBD COCCN(C(=O)COc1ccccc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 14790605 IMDQHNMFVYYXEI-UHFFFAOYSA-N 447.900 4.430 5 20 IIBD COc1ccc([C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])c2c[nH]c3ccccc23)cc1 18188394 ODGHZVSCOWFINL-HXUWFJFHSA-N 445.475 4.412 5 20 IIBD CCOC(=O)/C=C/c1ccc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 18239908 NTEHKAVMAWIOKH-NTEUORMPSA-N 448.479 4.285 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)N(C)Cc1nc2ccccc2s1 22496584 KPAUXSRLTWRTCQ-LLVKDONJSA-N 433.873 4.062 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1OC 45620457 KQAFXEJLLDIXCL-UHFFFAOYSA-N 446.790 4.136 5 20 IIBD Cc1sc2ncnc(N3CCC(C(=O)Nc4cc([N+](=O)[O-])ccc4F)CC3)c2c1C 60742266 HZLGJQHEYJURNR-UHFFFAOYSA-N 429.477 4.211 5 20 IIBD Cc1ccccc1CN1CCCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 64724338 IXLLERNFCKQXHE-KRWDZBQOSA-N 431.920 4.058 5 20 IIBD COc1ccc(CN2CCC(CNCc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CC2)cc1 237521638 IMFAYYIXFHBNCI-UHFFFAOYSA-N 449.555 4.006 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NC3C[C@H](C)O[C@@H](C)C3)c([N+](=O)[O-])c2)c(C)c1 301964291 NRCLKOUMADLLBT-HOTGVXAUSA-N 433.530 4.380 5 20 IIBD CC(C)(C(=O)N1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1)c1ccc([N+](=O)[O-])cc1 426617006 ZREIBCVSWWTEJK-SFHVURJKSA-N 435.480 4.040 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC[C@@H]4CN(C)CC[C@@H]43)cc2[N+](=O)[O-])n1 428722204 OULWOOUYLMUBAV-CVEARBPZSA-N 432.571 4.067 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCN(Cc2ccc(Cl)s2)CC1 431165721 GDVDLQPZLNJTAB-UHFFFAOYSA-N 444.738 4.030 5 20 IIBD Cc1ccc(-c2[nH]nc(NC(=O)c3ccc(N[C@@H](C)c4ccccn4)c([N+](=O)[O-])c3)c2C)o1 434435761 XUXCZNFXQUTSKH-HNNXBMFYSA-N 446.467 5.015 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 435391868 YEUKCFFBXSKCPU-LBPRGKRZSA-N 428.436 4.278 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(NCc3cc([N+](=O)[O-])ccc3OC(F)F)cc2)C[C@H](C)O1 437263820 UOCIJASJVLPACX-KBPBESRZSA-N 435.427 4.058 5 20 IIBD CC(C)n1cnnc1-c1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 439648679 ONNITFBBXWQNQD-CYBMUJFWSA-N 429.864 4.494 5 20 IIBD Cc1ccc(Cl)c(N(Cc2ncc[nH]2)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1 440881785 BYDYIKVAHFGUOP-UHFFFAOYSA-N 436.859 4.312 5 20 IIBD C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)Oc1ccccc1F 444094722 KPJKXJTUBLAURW-GFCCVEGCSA-N 426.394 4.296 5 20 IIBD COc1cc(-c2nc(-c3c([N+](=O)[O-])ncn3C)no2)ccc1OCc1ccc(Cl)cc1 445579175 LVNWMLVRNBNAKS-UHFFFAOYSA-N 441.831 4.286 5 20 IIBD CS(=O)(=O)c1ccc(CN[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1C(F)(F)F 447555488 BTDYMYQKFCFGRC-KRWDZBQOSA-N 442.459 4.128 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@H]1CCCN(c2ccccc2)C1 447735537 FKBGLJODZWRCLE-HXUWFJFHSA-N 425.532 4.188 5 20 IIBD COc1cc(S(=O)(=O)Nc2cc(Cl)c(C)cc2Br)ccc1[N+](=O)[O-] 461115294 WBHYPXCVVFYURW-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD C[C@H](c1c(F)cccc1F)N(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCOC1 461681120 CBMCACDLRWFDOR-HUUCEWRRSA-N 443.454 4.365 5 20 IIBD C[C@H](CC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccc(F)c(Br)c1 462461033 VTTGLTANIOURBZ-GFCCVEGCSA-N 437.265 4.411 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)[C@@H]1SCCc2sccc21)c1ccccc1[N+](=O)[O-] 463445236 UDZQFAGJSPGJHS-DNVCBOLYSA-N 434.539 4.186 5 20 IIBD C[C@H]1CCN(CCOc2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)C1 465189887 YUNNHQGSEYUJDF-SFHVURJKSA-N 438.528 4.168 5 20 IIBD COCCN1CCC(NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC1 466799300 DBWOMKCMTWFUMX-UHFFFAOYSA-N 449.960 4.240 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 467222896 MULQKOPSQOUKOS-ZDUSSCGKSA-N 431.802 4.010 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 467831502 UMQVJRCKXZKPAL-XJKCOSOUSA-N 440.331 4.196 5 20 IIBD C[C@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[C@H](OC1CCOCC1)c1ccccc1 468125728 HDBWTTQGNHHNBD-BTYIYWSLSA-N 447.919 4.373 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 469325981 RUUGQUIRDDQRSI-INIZCTEOSA-N 440.529 4.078 5 20 IIBD O=C(c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)N(Cc1ccccc1)Cc1ccccc1 469405251 DUGFZUYWDAFYLB-UHFFFAOYSA-N 443.459 4.091 5 20 IIBD COC(=O)c1cc(C(=O)N2CCCC[C@H]2c2ncc(-c3ccccc3)[nH]2)cc([N+](=O)[O-])c1 470960273 OQCANACRSNKJOG-FQEVSTJZSA-N 434.452 4.139 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 472689759 XOBJWWZDHDXDBJ-NSHDSACASA-N 431.246 4.207 5 20 IIBD O=C(c1cccc(C(F)(F)F)c1)N1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 473534629 VGOWNGAENMPLLE-UHFFFAOYSA-N 430.386 4.124 5 20 IIBD Cc1cc(NC(=O)N2CCN(C(=O)c3sc4ccccc4c3C)CC2)ccc1[N+](=O)[O-] 473776685 DASPRYXGQRHUKJ-UHFFFAOYSA-N 438.509 4.416 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)NC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)n2)cc1F 474462404 ZDLZKHNOHFQIDP-CYBMUJFWSA-N 427.436 4.388 5 20 IIBD Cc1cc(F)c(Br)cc1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 474958083 ZCIAUGUGUVRIAI-UHFFFAOYSA-N 437.269 4.159 5 20 IIBD O=C(CC1CCCC1)N1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 475209691 HPCMHEUASHQMPN-UHFFFAOYSA-N 442.438 4.260 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC(c2cccc3ccccc23)CC1 476147207 KSBWCLPKLIYSQY-KRWDZBQOSA-N 431.492 4.273 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(COc2ccccc2)c1C 476396848 JJWNUBIHJFFRDB-UHFFFAOYSA-N 428.466 4.292 5 20 IIBD CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)Cc1ccc([N+](=O)[O-])cc1F 477501124 RRUNQRDQKWNYKP-UHFFFAOYSA-N 432.839 4.017 5 20 IIBD O=C(CCCc1ccc(Cl)cc1)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 478095012 ZGHVADSXMBZXSL-UHFFFAOYSA-N 441.919 4.186 5 20 IIBD COC(=O)c1ccc(C(F)(F)F)nc1SCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 478715365 CQVASUPWFXUOFR-UHFFFAOYSA-N 440.359 4.138 5 20 IIBD CCN(Cc1cccc(F)c1)C(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC 481363752 LHFXOEJMAGYKAD-UHFFFAOYSA-N 443.504 4.153 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 481895602 PDDDAEPXODQMGA-UHFFFAOYSA-N 437.840 4.236 5 20 IIBD CC(=O)NCCc1ccc(C(=O)COc2ccc(Cc3ccccc3)cc2[N+](=O)[O-])cc1 481970122 POPOUQOXZYLXMO-UHFFFAOYSA-N 432.476 4.126 5 20 IIBD Cc1ccc(-n2ncc(NC(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c2C(C)C)cc1 484606113 OBGOLRLYTDLZRJ-UHFFFAOYSA-N 441.875 4.443 5 20 IIBD O=C(O)CSCc1cccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 485836768 YBSKOELHLXDIOQ-UHFFFAOYSA-N 444.387 4.106 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2cc(F)c(F)cc2s1 486617057 VQBNFAJPYWFPPM-UHFFFAOYSA-N 425.438 4.474 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)N(Cc1ccc(F)cc1)C1CCCCC1 487888292 PQBPZOUHEGDFJP-UHFFFAOYSA-N 437.471 4.410 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(N(C)C)ccc2c1 488319403 BLRMBJYGVFRXQR-UHFFFAOYSA-N 426.498 4.200 5 20 IIBD Cc1nccc(CNC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)n1 490587601 RYOJCMVULHLHFO-UHFFFAOYSA-N 437.506 4.384 5 20 IIBD COc1c(S(=O)(=O)Nc2ccc(Cl)cc2)cc(Br)c(C)c1[N+](=O)[O-] 491609339 GUORUQGCISPOIV-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD CN(CC(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)c1ccccc1[N+](=O)[O-] 493537761 ZAHCAEPVTLPGPT-INIZCTEOSA-N 433.333 4.052 5 20 IIBD C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 498159556 PIMHYMXOKRIUOJ-ZUOKHONESA-N 449.529 4.068 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 498250338 IKPMWJMNIDSOMP-HXUWFJFHSA-N 449.454 4.302 5 20 IIBD COc1cc([C@H](C)NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc(OC)c1OC 498422569 ZUJVOKNHWPTOGN-LBPRGKRZSA-N 443.481 4.235 5 20 IIBD Cc1c(C(=O)Nc2cccc(COCc3ccco3)c2)nnn1-c1cccc([N+](=O)[O-])c1 502698914 OFGYULFYTGBADK-UHFFFAOYSA-N 433.424 4.046 5 20 IIBD CC[C@H]1CCc2nc(NC(=O)c3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])sc2C1 502997836 LKWACEZDZMMPIE-VIFPVBQESA-N 427.429 4.429 5 20 IIBD CCOc1cc(NC(=O)NC2(c3ccc(F)cc3)CCOCC2)c([N+](=O)[O-])cc1OCC 503718101 PXQIDJWTSRAPNT-UHFFFAOYSA-N 447.463 4.359 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2ccc3cccc(Cl)c3n2)cc1[N+](=O)[O-] 505451011 KTXNGMOOHBRINW-UHFFFAOYSA-N 440.872 4.328 5 20 IIBD CC1(c2nc3ccccc3s2)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 509152467 LZWBZQYYEUJSOU-UHFFFAOYSA-N 435.502 4.086 5 20 IIBD Cn1cc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 509586763 SVSRHECZZIBRMU-UHFFFAOYSA-N 447.495 4.310 5 20 IIBD C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 509742097 XVDDBRVFWXKOLA-NSHDSACASA-N 443.809 4.295 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1-c1nc(Cc2cccs2)no1 511171013 FPZHTXDFVBNXNN-UHFFFAOYSA-N 427.223 4.210 5 20 IIBD COc1cc(C(=O)NCC2(c3ccc(Cl)cc3Cl)CCOCC2)ccc1[N+](=O)[O-] 511685809 IHMDBKBQRKOYEK-UHFFFAOYSA-N 439.295 4.388 5 20 IIBD O=C(N[C@H](c1cccc2ccccc12)C(F)(F)F)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 511736674 LSINZEIDXSNOOO-LJQANCHMSA-N 441.369 4.362 5 20 IIBD Cc1ccc(Oc2ccccc2CNC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)cc1 513404628 MSVJDZTWXWZXKU-UHFFFAOYSA-N 440.477 4.029 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2)cc1[N+](=O)[O-] 514642864 YIZSAMNABOJSNM-UHFFFAOYSA-N 439.493 4.275 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccc(Br)cc2)nc1 515627462 IUFFUCHKFLTVPO-UHFFFAOYSA-N 428.242 4.475 5 20 IIBD Cc1noc(-c2ccc(C)c(NC(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)c2)n1 515685203 YSXURENRCHOKCQ-UHFFFAOYSA-N 446.467 4.376 5 20 IIBD Cc1ccc(Oc2ccccc2CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1 517361694 VUAORPSWHDGYSY-UHFFFAOYSA-N 429.436 4.206 5 20 IIBD Cn1c(CCNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)nc2c(F)cccc21 517680329 SCGQRNFOAOGITK-UHFFFAOYSA-N 447.470 4.205 5 20 IIBD CCN(C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)C(c1ccccc1)c1ccccc1 517869059 XFVNBAXBTVFNQM-UHFFFAOYSA-N 438.505 4.250 5 20 IIBD Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 518586366 UFOVJTMXJYOALY-LLVKDONJSA-N 444.900 4.496 5 20 IIBD O=C(CCC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccc(-c2ccccc2)cc1 522930707 HXUDZMLQYFPDSR-NRFANRHFSA-N 444.491 4.333 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NC[C@H]2CCN(C(C)C)C2)cc1[N+](=O)[O-] 523359372 LPVGFRUUTGLFQP-MRXNPFEDSA-N 441.553 4.008 5 20 IIBD COc1cc(C(=O)N2CCC[C@@H]([C@@H](C)O)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 533474012 PIFHJZILLSQWJZ-UKRRQHHQSA-N 434.876 4.282 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)cc1[N+](=O)[O-] 534020358 VEJMAJBHXQAGFU-UHFFFAOYSA-N 425.485 4.089 5 20 IIBD O=C(c1ccc(Cl)cc1)C1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 535445565 HOVRPUVTPOMGOU-UHFFFAOYSA-N 425.872 4.394 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)CCOc1ccccc1[N+](=O)[O-] 538041499 MDBPKZOGXAWBMK-ORAYPTAESA-N 437.290 4.019 5 20 IIBD Cc1cc(C2CCN(C(=O)c3ccc(N[C@@H](C)c4ccccn4)c([N+](=O)[O-])c3)CC2)n[nH]1 538650999 QWLVXJSIPNBJAY-INIZCTEOSA-N 434.500 4.214 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O 540763102 AKEJTHGIACMQMU-INIZCTEOSA-N 437.880 4.035 5 20 IIBD CCC(C)(C)OCc1ccccc1NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 541743423 PKFZJIBEAFTAER-UHFFFAOYSA-N 433.892 4.322 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1CCN(C(=O)CCc2ccccc2)CC1 541997716 ZVVBMXDPGGWVKA-UHFFFAOYSA-N 449.429 4.424 5 20 IIBD COc1ccc(NC(=O)N[C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] 542960552 BLXKMEBGCOSIAX-BTYIYWSLSA-N 429.473 4.050 5 20 IIBD Cc1cc(=O)c(-c2nc(-c3ccc(Cl)c(Cl)c3)no2)nn1-c1ccccc1[N+](=O)[O-] 544914767 ZAYFSWFCKCYELZ-UHFFFAOYSA-N 444.234 4.473 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1noc(Cc2cccc(OCc3cccnc3)c2)n1 545673617 ZFWJAISTUXPRHA-UHFFFAOYSA-N 431.452 4.197 5 20 IIBD CC(C)N(Cc1ccc(Br)cc1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] 546799931 ZAFZDOMEZGIGBB-UHFFFAOYSA-N 427.320 4.098 5 20 IIBD COc1cc(Cc2noc(CCc3ncc(-c4ccc(F)cc4F)o3)n2)ccc1[N+](=O)[O-] 547174427 ZRFXYLZVYVLBIU-UHFFFAOYSA-N 442.378 4.296 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCN(C4CCC4)C[C@H](C)C3)cc2[N+](=O)[O-])C1 553863175 SKEVQIZPXYYGNP-OTWHNJEPSA-N 428.577 4.024 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1cccc2cccc(Br)c12 557020192 HSQBVRXPWKBCSZ-UHFFFAOYSA-N 425.242 4.317 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(-c2nc(Cc3ccn(-c4c(F)cccc4F)n3)no2)c1 561908012 GAQGLULSUDKQQP-UHFFFAOYSA-N 427.367 4.098 5 20 IIBD C[C@@H](Oc1ccccc1NC(=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 563490168 IIWNRKPPJIQZJG-GOSISDBHSA-N 447.491 4.374 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N(C)CC(=O)NCc3ccccc3)cc2[N+](=O)[O-])cc1 571328043 KLWSIJSPULXBTR-UHFFFAOYSA-N 449.532 4.443 5 20 IIBD COc1cc(CNc2ccc(-c3ccccc3)nn2)c([N+](=O)[O-])cc1OCC(F)(F)F 575731612 CRCFCANRCIMJIG-UHFFFAOYSA-N 434.374 4.614 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1Cl 579896277 HZEKSZMTHNKAFP-UHFFFAOYSA-N 435.933 4.205 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1OCC(=O)Nc1ccccc1F 603569159 UZKJBXLMOPEHFM-UHFFFAOYSA-N 437.427 4.024 5 20 IIBD O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 603613619 CEROOZRMVSQKKO-SFHVURJKSA-N 438.402 4.357 5 20 IIBD CN1CCN(C(C)(C)CNCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 603633603 VPUZUNOALVLLIR-UHFFFAOYSA-N 432.952 4.156 5 20 IIBD COc1ccc(C2=NN(C(=O)COc3cc([N+](=O)[O-])ccc3C)[C@H](c3ccco3)C2)cc1 603727244 CRTSIKNAUZITGO-FQEVSTJZSA-N 435.436 4.262 5 20 IIBD CCOC(=O)c1c(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])sc2c1CCCCC2 603760989 ZQLUWNDLKHUXKS-UHFFFAOYSA-N 448.497 4.371 5 20 IIBD CSc1ccc(C(=O)N2CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)cc1[N+](=O)[O-] 604243899 HVDBIYAMVPAWGN-UHFFFAOYSA-N 448.932 4.268 5 20 IIBD COc1cccc(CN(C[C@H]2CCCO2)C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 604447667 TZWJGBXZKUJSAD-HNAYVOBHSA-N 448.903 4.232 5 20 IIBD Cc1ccc(F)c(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c1 608901884 CJQKKHZTAHIVPN-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](Cc2ccc(OC)c(OC)c2)c2ccccc2)c1 608948650 HELZHTNINQGEFQ-FQEVSTJZSA-N 436.464 4.334 5 20 IIBD Cc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)c2ccc(F)cc2)c([N+](=O)[O-])c1 609276874 CPVBJXVMCOCQGM-UHFFFAOYSA-N 444.440 4.167 5 20 IIBD CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 609587803 MCNOBNPNQQVNNY-UHFFFAOYSA-N 434.374 4.196 5 20 IIBD CC(C)CNC(=O)c1ccc(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cc1Cl 609761927 NTMXMLROELUQCY-UHFFFAOYSA-N 442.859 4.140 5 20 IIBD O=C(NCc1cc(F)cc(F)c1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 609855622 MFRPYEHARXBXLD-UHFFFAOYSA-N 427.194 4.296 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC[C@@H](N4CCCC4)CC3)cc2[N+](=O)[O-])C1 609977536 RHSCKBBBRYRUIX-SFHLNBCPSA-N 428.577 4.168 5 20 IIBD C[C@H](c1ccccc1)N1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 610045588 IPOHZPBYUOBDCV-CQSZACIVSA-N 432.318 4.313 5 20 IIBD COCCN(Cc1cccs1)C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 610620937 TXQALSZHWDKVDV-UHFFFAOYSA-N 434.461 4.442 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](Cn3cnc4ccccc43)C2)cc1SC 614351154 ICCOICKTOZUNOL-HNNXBMFYSA-N 440.525 4.227 5 20 IIBD COc1cc(OC)cc(C2(F)CCN(C(=O)c3ccc(SC)c([N+](=O)[O-])c3)CC2)c1 619798309 QPICBIQFPDHQOT-UHFFFAOYSA-N 434.489 4.435 5 20 IIBD CC(C)[C@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccccc1 725984191 FNABDBGRIUJDME-SFHVURJKSA-N 435.274 4.028 5 20 IIBD CCc1ccc2c(COC(=O)c3cc([N+](=O)[O-])ccc3Br)cc(=O)oc2c1 725984684 DEWSUBGEKBEDSR-UHFFFAOYSA-N 432.226 4.383 5 20 IIBD C[C@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)N1c2ccccc2C[C@H]1C 728340228 JLMIWUMGJDDYAV-KGLIPLIRSA-N 437.477 4.241 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCc1nc(Cc2cccc(Br)c2)no1 731503786 IITCCOVOQVCGIL-RMKNXTFCSA-N 444.241 4.088 5 20 IIBD Cc1ccc(F)c2c1CCCN2C(=O)c1cc([N+](=O)[O-])ccc1I 731583990 WKBSLRSXYAOWRH-UHFFFAOYSA-N 440.212 4.240 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)CCc1c(C)nn(Cc2ccc(C)cc2)c1C 733550865 KKDKRKOUUMSHOW-UHFFFAOYSA-N 437.496 4.449 5 20 IIBD COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)OCc1cc(F)ccc1[N+](=O)[O-] 734921936 IDRGEODCBMESHP-GOSISDBHSA-N 434.420 4.052 5 20 IIBD COc1cccc(COC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1OC(F)F 734970562 SRIJCBUGONSUQJ-UHFFFAOYSA-N 436.411 4.165 5 20 IIBD Nc1cc(C(=O)OCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)ccc1Oc1ccccc1 735349628 QDQJXFRZVUIIHH-UHFFFAOYSA-N 449.419 4.124 5 20 IIBD O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 735905730 VNDKBUMRGIRYIS-MRXNPFEDSA-N 441.292 4.160 5 20 IIBD CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1Br 739567976 SCCYWQLFWPJTCZ-LBPRGKRZSA-N 444.326 4.027 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1[N+](=O)[O-] 742028882 LGURMNNCSYKZST-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NCc1cc(F)ccc1[N+](=O)[O-] 742258823 OEFZWDOWMMKADE-UHFFFAOYSA-N 438.525 4.198 5 20 IIBD Cc1ccc(N2CCC[C@H](OC(=O)c3ccc([N+](=O)[O-])cc3Br)C2=O)cc1 745073103 HCLKADGVZQYKAC-KRWDZBQOSA-N 433.258 4.018 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)/C=C(\C)c1cccc(C(F)(F)F)c1 745484912 RKSPSEVLWQKLEQ-XYOKQWHBSA-N 438.358 4.207 5 20 IIBD CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 745498474 WJIIJGXDJLBKST-UHFFFAOYSA-N 442.403 4.126 5 20 IIBD CCCc1c(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cnn1C1CCCC1 751843636 CCIADTDRPAPIEQ-AWEZNQCLSA-N 444.488 4.052 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCC(CCCN2CCCC2)CC1 752310883 YIUCDWDWGFPHQE-UHFFFAOYSA-N 428.577 4.313 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] 753035257 GKEGCLSHHOGLOG-MRXNPFEDSA-N 434.537 4.253 5 20 IIBD C/C(=C/C(=O)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccccc1OC(F)F 753540314 IHMBTFDAYATUMB-QBFSEMIESA-N 448.378 4.141 5 20 IIBD Cc1nc(SCC(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)c2c(C)c(C)sc2n1 753831077 XDYAAIONOYKDDW-UHFFFAOYSA-N 431.495 4.043 5 20 IIBD COc1cc(OC)c2cc(CCCNC(=O)NCc3cc([N+](=O)[O-])ccc3Cl)[nH]c2c1 756952584 WLKQYNBAOBOGOM-UHFFFAOYSA-N 446.891 4.179 5 20 IIBD O=C(Cn1ccc([N+](=O)[O-])n1)O[C@@H](c1cccc(F)c1)c1cccc(Br)c1 758074806 HHLIVQJKFTZXRD-GOSISDBHSA-N 434.221 4.026 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(N2CCC(C(=O)c3cc(F)ccc3F)CC2)cc1Cl 765470102 QVKGSLOUYDPONA-UHFFFAOYSA-N 438.814 4.412 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 765522508 PLVDVDIUNKCORS-UKRRQHHQSA-N 440.412 4.426 5 20 IIBD COc1cc(COC(=O)c2nc(C(C)C)n(-c3ccccc3Cl)n2)c([N+](=O)[O-])cc1F 766201675 PQHIYCRHQLBYEV-UHFFFAOYSA-N 448.838 4.457 5 20 IIBD COc1cc(COC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c([N+](=O)[O-])cc1F 766202620 DCCVRNNSCXMCSB-SFHVURJKSA-N 434.420 4.052 5 20 IIBD C[C@H](NC(=O)N(CCNC(=O)OC(C)(C)C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 766594623 GMSOPFRWASOHQZ-KRWDZBQOSA-N 442.516 4.392 5 20 IIBD O=C(Nc1ccc(N2CCSCC2)cc1)c1sc(Br)cc1[N+](=O)[O-] 770524910 VTRROMQPHZLIEM-UHFFFAOYSA-N 428.333 4.224 5 20 IIBD C[C@H](OC(=O)c1ccc(-c2cncnc2)cc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 775092183 FJQLLXKSAYOXTO-LBPRGKRZSA-N 435.371 4.159 5 20 IIBD C[C@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 775189545 CFSUISQTNUEUHP-HNNXBMFYSA-N 436.443 4.276 5 20 IIBD CC[C@@H](C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(OC)cc1 775945818 LHDZLYGHQYNBLJ-OAHLLOKOSA-N 440.374 4.298 5 20 IIBD CCCCN([C@@H](C)c1ccccc1)S(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 777915937 WYUWWKDUDYPTBU-INIZCTEOSA-N 447.513 4.103 5 20 IIBD COC(=O)c1ccc(COC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)s1 781257724 UEWNTAVPOYYGDH-UHFFFAOYSA-N 429.400 4.165 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCc1coc(-c2c(F)cccc2F)n1 781737580 WOQABNBROKNFCM-UHFFFAOYSA-N 433.323 4.112 5 20 IIBD Cn1cc(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)c(-c2ccccc2)n1 782827171 XPHNKGXNGGMRHT-UHFFFAOYSA-N 449.692 4.341 5 20 IIBD Cc1ccc(C(C)(C)CNC(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2Br)cc1 784702787 BGYPNTLCIGCKHM-UHFFFAOYSA-N 448.317 4.007 5 20 IIBD COC(=O)c1ccccc1COC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 785228066 NHGYXCGMYVMESE-OAHLLOKOSA-N 435.436 4.307 5 20 IIBD C[C@H](OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(=O)c1ccccc1C(F)(F)F 785676363 SKEVRUYRHDASJN-LBPRGKRZSA-N 433.342 4.228 5 20 IIBD Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)N(C)C 785858171 QQKMLWHHJRALHJ-KZULUSFZSA-N 438.297 4.226 5 20 IIBD Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl 786860969 GBFGFCXVTAQQNC-QGZVFWFLSA-N 437.283 4.117 5 20 IIBD COc1cccc(C(=O)N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)c1[N+](=O)[O-] 787661023 BURATYLAQDLRAL-UHFFFAOYSA-N 432.476 4.394 5 20 IIBD Nc1c(C(=O)N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)cc(F)cc1[N+](=O)[O-] 787674893 VZLWJLAGHLKSSA-UHFFFAOYSA-N 435.455 4.107 5 20 IIBD O=C(NCC1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1)OCc1ccccc1 787784547 ZIDDDHMNNRFGIF-UHFFFAOYSA-N 431.876 4.027 5 20 IIBD CCN(CC)CCNC(=O)c1ccc(NCc2ccc(Br)c([N+](=O)[O-])c2)cc1 789878468 NCYSUCFTMRDPAP-UHFFFAOYSA-N 449.349 4.041 5 20 IIBD COc1cccc(CCC(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 792725253 KVHWGMSEFNUBLY-GFCCVEGCSA-N 440.374 4.125 5 20 IIBD CN(CCc1cccc(Br)c1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 795027939 OWLJULHMONGBLO-UHFFFAOYSA-N 432.318 4.272 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1ccc(Cl)cc1-n1cncn1 795424724 NZXMBASMKNOHBJ-UHFFFAOYSA-N 444.878 4.132 5 20 IIBD CC(=O)N(c1nc(COC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cs1)c1ccccc1F 796256903 OZCYUQGHTYZERM-UHFFFAOYSA-N 447.448 4.079 5 20 IIBD Cc1cc(C(=O)Nc2ccc([N+](=O)[O-])c(I)c2)c(C(F)(F)F)o1 801699851 OCGINYLUPFHSET-UHFFFAOYSA-N 440.115 4.372 5 20 IIBD Cc1cc(C2CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)CC2)ccc1Br 801955130 PXFFKYNQOWKBHO-UHFFFAOYSA-N 436.281 4.407 5 20 IIBD C[C@H](C(=O)NC[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1F 808468558 RISZVKINBNYUHD-JYJNAYRXSA-N 437.512 4.285 5 20 IIBD COc1ccc(Cl)cc1CN1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 809914035 FRBPCMLGAQUCGR-UHFFFAOYSA-N 439.299 4.260 5 20 IIBD O=C(c1ccc(F)cc1F)N1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 809941454 ZIQQETBNHWRTIB-UHFFFAOYSA-N 430.238 4.138 5 20 IIBD O=C(Cn1cnc2c(oc3ccccc32)c1=O)OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811061838 YDQWNCIVEUDFQV-UHFFFAOYSA-N 448.218 4.101 5 20 IIBD CCOc1ccc([C@H](O)C2CCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)CC2)cc1 812678534 MGGWROBFZXLBMJ-QHCPKHFHSA-N 439.512 4.154 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 813809263 ROKUDKVVTPTLDX-LJQANCHMSA-N 444.532 4.058 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCN(C(=O)Cc3ccccc3[N+](=O)[O-])C2)C1 814431324 LOYJCKUZDUMXAD-MOPGFXCFSA-N 431.533 4.023 5 20 IIBD Cc1ccc([C@H](OC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c2cncn2C)cn1 816321989 DXJAMJVOWSHARO-IBGZPJMESA-N 435.465 4.102 5 20 IIBD COc1cccc(C(=O)N2CCC[C@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)c1[N+](=O)[O-] 817656668 LKRIPBVBGZKBPP-IRXDYDNUSA-N 447.532 4.103 5 20 IIBD C[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccc(C(F)(F)F)nc1Cl 817874401 DOERYWABALUXDZ-SNVBAGLBSA-N 439.781 4.339 5 20 IIBD COc1ccc(CSCC(=O)O[C@@H](C)C(=O)Nc2cc(C)cc(C)c2)cc1[N+](=O)[O-] 914799644 FDKQLYLHRYPFOM-HNNXBMFYSA-N 432.498 4.024 5 20 IIBD Cc1ccc(F)cc1NC(=O)[C@H](C)OC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 917257813 GJYIFBJHYBUXQD-NSHDSACASA-N 444.337 4.167 5 20 IIBD CC(C)N=c1ccccn1C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 918557691 ALHSFGDEBCWZHL-UHFFFAOYSA-N 436.434 4.281 5 20 IIBD CC1CCC(NS(=O)(=O)c2ccc(NCc3ccc([C@@H](C)O)cc3)c([N+](=O)[O-])c2)CC1 919722351 XUFBUJDJQQDNNB-KOHRHEQBSA-N 447.557 4.117 5 20 IIBD CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)OCc1ccc(Cl)cc1Cl 920638184 ZEERZGAMCOSVGZ-CYBMUJFWSA-N 447.296 4.090 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N2CCO[C@@H](c3ccc(Cl)s3)C2)cc1[N+](=O)[O-] 1116226055 KHWUCPXQTIQJCU-GFCCVEGCSA-N 437.326 4.034 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1C[C@H]2CCCC[C@]21c1ccccc1 1116262214 RIRUYAWFMVZMKT-KOSHJBKYSA-N 435.480 4.211 5 20 IIBD CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccc([N+](=O)[O-])cc2Br)CC1 1116713225 LZXPIJMWWVLRED-UHFFFAOYSA-N 428.327 4.237 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(-c3nnc(-c4cccc([N+](=O)[O-])c4)o3)cc2)cc1 1117184505 DFQFDZNQKRBXDL-UHFFFAOYSA-N 436.449 4.421 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 1123268168 PCXBHTWCWHGJGK-UHFFFAOYSA-N 446.529 4.214 5 20 IIBD O=C(NC1CCN(c2cccc(F)c2)CC1)c1cc(F)cc([N+](=O)[O-])c1Br 1331839589 HAKGOIGSUZWVCM-UHFFFAOYSA-N 440.244 4.034 5 20 IIBD CC(C)n1nc(-c2nnc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)o2)c2ccccc2c1=O 1341228659 DWYWXVMWPKOBOL-UHFFFAOYSA-N 446.467 4.203 5 20 IIBD O=[N+]([O-])c1cc(-c2nnc(-c3ccc(COc4ccccc4)o3)o2)ccc1-n1cncn1 1345801365 OQPOTSVFVYCDJB-UHFFFAOYSA-N 430.380 4.065 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccc(C2(NC(=O)C(F)(F)Cl)CCC2)cc1 1786208064 ITHRAIRJSYRGQD-SOFGYWHQSA-N 439.802 4.167 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3sccc3Cl)CCC2)cc1)c1nc[nH]c1[N+](=O)[O-] 1788612139 HCHLAZPVZLIPSL-UHFFFAOYSA-N 445.888 4.094 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)NC1(c2ccc(NC(=O)[C@@H]3CCC=CO3)cc2)CCC1 1789496753 YWAHJPFFUAZNDX-QFIPXVFZSA-N 449.507 4.354 5 20 IIBD CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 1793940915 SHKZXZKRHQVKFU-JTOYRKQZSA-N 449.551 4.359 5 20 IIBD CC(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 1824162097 HSLFJKDHDNDIRK-LJQANCHMSA-N 435.952 4.066 5 20 IIBD CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCc2cc(C)c(F)cc2[N+](=O)[O-])CC1 1826586084 AAODNSJUBLSUDN-OAQYLSRUSA-N 433.524 4.005 5 20 IIBD CC(C)/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1832510690 NUSAJTUJSWCQFG-BDTMADQZSA-N 441.572 4.359 5 20 IIBD Cc1ccc(C(=O)N2CCCC23CN(C(=O)c2cc4cc([N+](=O)[O-])ccc4s2)C3)s1 1842378096 GYYTYNAPSVODIL-UHFFFAOYSA-N 441.534 4.310 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 1847651718 BKUUXPYGEYBUCE-RXTJZWGMSA-N 441.528 4.009 5 20 IIBD COc1ccccc1-n1c(SCc2cccc([N+](=O)[O-])c2)nnc1N1CCCCC1 10821551 HPHCFPDROGVXMS-UHFFFAOYSA-N 425.514 4.467 5 20 IIBD CCN(CC)c1ccc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 11030419 AWUJNRZOLWZTHZ-UHFFFAOYSA-N 439.390 4.255 5 20 IIBD CCCCn1c(SCc2ccccc2[N+](=O)[O-])nc2cc(S(=O)(=O)N(C)C)ccc21 12045810 ZHSXRCXZJNKDNE-UHFFFAOYSA-N 448.570 4.287 5 20 IIBD CCOc1cc(C(=O)Oc2ccc(NC(=O)c3ccccc3)cc2)c([N+](=O)[O-])cc1OC 15538485 TYXUPTNKDIGEBP-UHFFFAOYSA-N 436.420 4.474 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3cc4c(cc3Cl)OCO4)cc2)c(C)c1[N+](=O)[O-] 16477699 HWUPFMKOLGOVCS-UHFFFAOYSA-N 428.832 4.091 5 20 IIBD O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1 20923717 BXXIMZZRBZWJEM-UHFFFAOYSA-N 445.884 4.082 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N(C)Cc3ccc(OC(F)F)cc3)cc2)c(C)c1[N+](=O)[O-] 24178228 KZYVWCNLQJJLAB-UHFFFAOYSA-N 444.438 4.330 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nnc(-c2ccc(C)c(C)c2)o1 26351436 NNPBOUGDPBBSET-UHFFFAOYSA-N 428.470 4.391 5 20 IIBD Cc1cc2nnc(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)n2c2ccccc12 28416734 IGMOBKPKDAWLFY-UHFFFAOYSA-N 427.873 4.483 5 20 IIBD C[C@@H]1CCCN(Cc2csc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)C1 28677605 GQFGIBSWWAVWIF-OAHLLOKOSA-N 429.546 4.136 5 20 IIBD CC[C@H]1CCCCN1C(=O)COC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 28831660 AHCMVEWPESEMQL-HNNXBMFYSA-N 449.554 4.459 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CC(=O)Nc1c(Cl)cccc1Cl 31298427 JWDBWCFZNZKIHV-UHFFFAOYSA-N 439.299 4.109 5 20 IIBD O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 58771553 KGIDPTJDAGFENI-SFHVURJKSA-N 428.395 4.189 5 20 IIBD CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])cc1 58906367 HZOFDQAJWQGDDC-QGZVFWFLSA-N 442.516 4.423 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)N(Cc2ccc(F)cc2)C2CCCCC2)cc1[N+](=O)[O-] 60461800 UAYYYBVZSSRDAV-UHFFFAOYSA-N 434.489 4.113 5 20 IIBD COc1ccccc1N(Cc1ccc(OC)c([N+](=O)[O-])c1)S(=O)(=O)c1ccc(F)cc1 60817166 RZNXZZKHGGZSID-UHFFFAOYSA-N 446.456 4.147 5 20 IIBD O=C(NCc1ccc(Cn2cnc3ccccc32)cc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 61508351 UJJJVVCMPBRFPF-UHFFFAOYSA-N 425.448 4.404 5 20 IIBD CCOc1ccc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c(C(F)(F)F)c1 64564006 AYHSKZZWXKZXBW-UHFFFAOYSA-N 438.406 4.366 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc(Cl)ccc1N1CCOCC1 64779141 WVWDJNNAPGPIEU-LBPRGKRZSA-N 440.283 4.144 5 20 IIBD Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)nnn1-c1cccc([N+](=O)[O-])c1 105569790 JFUOREBKSZOXSZ-UHFFFAOYSA-N 427.464 4.327 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CN1C(=O)[C@@H](c2ccccc2)N(Cc2ccccc2)C1=O 106030106 IYGMAQQCRJUQRZ-JOCHJYFZSA-N 431.448 4.309 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1 109652467 ZGXBALHAQSMFKG-UHFFFAOYSA-N 430.464 4.116 5 20 IIBD Cc1c(C(=O)Nc2cc(F)ccc2Sc2nccn2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] 110107281 SWMJWHKSLUVABU-UHFFFAOYSA-N 431.405 4.088 5 20 IIBD C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 111131241 CJTBULVSFGNLNE-GOSISDBHSA-N 446.507 4.101 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CCn3c2nc2ccccc23)cc1[N+](=O)[O-])c1ccccn1 195609179 NEJYCAKTZITTEI-HNNXBMFYSA-N 428.452 4.173 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 255958903 GCLIFESNDKUPAS-UYAOXDASSA-N 438.311 4.129 5 20 IIBD O=[N+]([O-])c1ccc(NCc2ccc(Br)cc2N2CCOCC2)c2ccncc12 301738387 CQLAFMHVUQDOKM-UHFFFAOYSA-N 443.301 4.354 5 20 IIBD COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 409539697 UUCVZYVVLHWVCF-DOTOQJQBSA-N 425.466 4.478 5 20 IIBD O=C(NCc1ccnc(OC2CCC2)c1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 426991874 RVCWEXLSDZVYTD-UHFFFAOYSA-N 433.464 4.430 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1Cl 427104964 SZHPRGWRPILQGS-UHFFFAOYSA-N 441.875 4.494 5 20 IIBD O=C(O)COc1ccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1Cl 431812635 ULEKRMPDCIHATD-UHFFFAOYSA-N 431.253 4.096 5 20 IIBD CC(C)(NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 432759065 PXZZZQWRQIVPOW-UHFFFAOYSA-N 438.225 4.498 5 20 IIBD Cc1c(NC(=O)N2CC[C@H](n3ncc4ccccc43)C2)cc(Br)cc1[N+](=O)[O-] 435322315 BQGYFGLPFKZWMK-HNNXBMFYSA-N 444.289 4.494 5 20 IIBD C[C@H]1C[C@H](C)CN(CCCCNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 436013257 YDJMOOVOAVKIEN-HOTGVXAUSA-N 441.522 4.447 5 20 IIBD CC(C)CO[C@H](C)c1noc(CN(C)C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 437002915 APCCYGIQXXTSPR-LLVKDONJSA-N 430.383 4.002 5 20 IIBD CN1CCC(N(Cc2ccccc2)C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 438714060 SPLVVKGYLXEBPR-UHFFFAOYSA-N 432.318 4.094 5 20 IIBD COc1ccc(CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@H](CO)C(C)C)cc1 444307170 YEIDTGLAZFMAMW-RUZDIDTESA-N 444.531 4.349 5 20 IIBD Cc1sc(Br)cc1S(=O)(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 446923553 WSPCXFBARIYTFX-UHFFFAOYSA-N 431.333 4.081 5 20 IIBD O=c1c2cc(Br)ccc2ncn1Cc1ccc([N+](=O)[O-])cc1C(F)(F)F 448103802 XCUFZVHSAWSCIF-UHFFFAOYSA-N 428.164 4.134 5 20 IIBD Cc1cc(Br)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)s1 462354638 AOHCYGHCJNOOQP-UHFFFAOYSA-N 428.289 4.076 5 20 IIBD O=C(Nc1ccc(Cc2nnc3n2CCCCC3)cc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 464123562 RFBDHOORVMNMLR-UHFFFAOYSA-N 446.511 4.330 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@@H]2CCN(CC3CCCC3)C2)cc1[N+](=O)[O-])c1ccccn1 464337820 OZHZBBKAHPPHBX-FXAWDEMLSA-N 437.544 4.157 5 20 IIBD C[C@@H]1CCC[C@@H](N(Cc2c(F)cccc2Cl)C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@@H]1C 469076312 XVBOXJBJSJUIHT-SPYBWZPUSA-N 449.910 4.403 5 20 IIBD Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 469255841 INJAZKTZSAGGQH-ZWKOTPCHSA-N 438.528 4.406 5 20 IIBD COC(=O)[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)[C@@H]1C 470052935 FSFYKWXWMNXFKQ-IUODEOHRSA-N 448.859 4.073 5 20 IIBD Cc1ccccc1-n1c(SCc2c([N+](=O)[O-])ncn2C)nc2cc(Cl)ccc2c1=O 476502133 CKCCOOFVSCSEDY-UHFFFAOYSA-N 441.900 4.282 5 20 IIBD O=C(Nc1cccnc1)c1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 477276005 HJFJFTWSOSPDGP-UHFFFAOYSA-N 444.369 4.191 5 20 IIBD CCCCOc1ccc(NC(=O)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c(C)c1 478098567 VMZBFQPGABXCMN-UHFFFAOYSA-N 433.892 4.033 5 20 IIBD COc1ccc(CSCC(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1[N+](=O)[O-] 479257703 ZQVROIVSZIOMBN-CQSZACIVSA-N 443.525 4.063 5 20 IIBD COc1cc(C(=O)Nc2cccc(CN(C)Cc3cscn3)c2)cc([N+](=O)[O-])c1C 480115891 YJWPZOPWGAAYAL-UHFFFAOYSA-N 426.498 4.253 5 20 IIBD CC(C)c1c(NS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)cnn1-c1ccc(Cl)cc1 480208416 IVNKITRJXKFNBJ-UHFFFAOYSA-N 436.877 4.064 5 20 IIBD C[C@@H]1CN(c2ccc(Nc3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])cn2)C[C@@H](C)O1 480692103 GZRWHLRHACVIIZ-GHMZBOCLSA-N 447.364 4.396 5 20 IIBD CCOc1cc(CN(C)S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)ccc1OC(F)F 481980128 LTNACCLBAJVNIH-UHFFFAOYSA-N 444.456 4.032 5 20 IIBD Cc1nn(CCC(=O)N2CCCc3c(Br)ccc(Cl)c32)c(C)c1[N+](=O)[O-] 484335955 YYPYXMRXKZBHIE-UHFFFAOYSA-N 441.713 4.194 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1 486208721 WLIKEXQZVFBIIB-UHFFFAOYSA-N 445.566 4.077 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCCCC(=O)Nc2ccc(Cl)cc2)cc1SC 486674609 IRFVADOVBKGQAW-UHFFFAOYSA-N 437.905 4.127 5 20 IIBD COc1ccc(NC(=O)c2cccc(SC)c2[N+](=O)[O-])c(I)c1 487612332 YHQCFMACYAXNGW-UHFFFAOYSA-N 444.250 4.182 5 20 IIBD O=C(NCc1ccnc(Oc2ccccc2F)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 489623180 VPRPAEWDOKBVGR-UHFFFAOYSA-N 433.399 4.037 5 20 IIBD C[C@H]1C[C@H](C)CN(CCCCNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 494661424 MRFRPHRBTDIXFB-GJZGRUSLSA-N 430.471 4.171 5 20 IIBD Cc1c([C@@H](C)NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)cnn1-c1ccc(F)cc1 497824985 VKOZDELPZRHMNP-CQSZACIVSA-N 449.442 4.032 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)ccc1-n1nnnc1C(C)C 499212914 NXEDWCHNMCOKGX-UHFFFAOYSA-N 434.378 4.273 5 20 IIBD O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCO[C@@H](c2cccc(Br)c2)C1 499791422 DEFOPNQXPGXIJA-QGZVFWFLSA-N 430.258 4.052 5 20 IIBD O=C(c1ccc(-c2noc(C(F)F)n2)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 499874794 KQYUGYJSSOVQLK-UHFFFAOYSA-N 444.394 4.266 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)Nc2cccc(NC(=O)c3ccoc3)c2)cc1[N+](=O)[O-] 500356507 GYGKKVFDNOQPQC-UHFFFAOYSA-N 435.845 4.203 5 20 IIBD CCOCc1ccc(CNc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])cc1 502135759 FPLAQRVTCSCPSP-UHFFFAOYSA-N 447.557 4.308 5 20 IIBD CS(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2CCCc2ccccc2)cc([N+](=O)[O-])c1 502387401 AYPLTYQJMPTXCH-IBGZPJMESA-N 430.526 4.016 5 20 IIBD COC(=O)[C@H](C)NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 506788754 CHPPLGRGQFJPBY-JTQLQIEISA-N 428.388 4.056 5 20 IIBD CC(C)(NC(=O)N[C@@H]1COc2cc(F)c(Br)cc21)c1ccc([N+](=O)[O-])cc1 508647553 GRTMDBWPODELPN-OAHLLOKOSA-N 438.253 4.164 5 20 IIBD Cc1ccccc1-n1nc(C)c(CN(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1C 508727885 VRVRQYMSMPOZOG-UHFFFAOYSA-N 441.919 4.430 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CCN(Cc2ccccn2)CC1 509106140 GRYVOVJMCSWLDB-UHFFFAOYSA-N 440.569 4.230 5 20 IIBD COc1c(Cl)cccc1NC(=O)c1cc([N+](=O)[O-])cc(I)c1C 509585099 UNMYVLQYDNFKCG-UHFFFAOYSA-N 446.628 4.422 5 20 IIBD CCN(CC)[C@@H](C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 510482653 QNAHUVCMMCHVOI-LJQANCHMSA-N 439.434 4.322 5 20 IIBD Cc1cc(CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc(C)c1OCC(F)(F)F 515754206 TXBADNZWDVWAOL-UHFFFAOYSA-N 446.447 4.282 5 20 IIBD O=C(Nc1ncc(Cc2ccc(F)c(F)c2)s1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 520383169 HXMDHRLIKUHYDG-UHFFFAOYSA-N 442.403 4.426 5 20 IIBD O=C1COc2ccc([N+](=O)[O-])cc2N1CC(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 522676128 MLWAKUKCCXSMNG-GOSISDBHSA-N 443.887 4.118 5 20 IIBD Cc1cccc(OC[C@@H](O)CNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1 522709929 CNFUELUQLHRSRZ-IBGZPJMESA-N 437.452 4.257 5 20 IIBD CCOc1ccc(C2(CNC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1 523509035 DNWKEOYDZDPPJI-UHFFFAOYSA-N 426.513 4.136 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1cc(Cc2ccccc2)ccc1O 530635709 OQIVWSGEJFOMLF-UHFFFAOYSA-N 447.447 4.218 5 20 IIBD O=[N+]([O-])c1cc2c(c(CN3CC[C@@H](Oc4ccc(Cl)c(Cl)c4)C3)c1)OCOC2 532107580 WDZSEACCCNAONC-MRXNPFEDSA-N 425.268 4.421 5 20 IIBD O=C(NCCn1cc([N+](=O)[O-])cn1)c1ccccc1OCc1ccc(Cl)cc1Cl 533191629 QELREEYCCSJDMI-UHFFFAOYSA-N 435.267 4.107 5 20 IIBD Cc1cn2c(CN(C)C(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)c(C)nc2s1 534054557 GRWXJWZPEJSPSV-UHFFFAOYSA-N 441.557 4.429 5 20 IIBD CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)c1cc(I)cc([N+](=O)[O-])c1 535037067 NLFMVUZAWLYASJ-SECBINFHSA-N 444.191 4.248 5 20 IIBD CC(=O)N1CC[C@H](CN(C)C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1 535107212 QHXJZKBJUFIQGI-OAHLLOKOSA-N 447.944 4.340 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2ccc(Cl)cc2C1 536500761 BFJPQZQVNXAOPX-UHFFFAOYSA-N 434.901 4.102 5 20 IIBD COc1cc(CN[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc(Br)c1OC 536870276 NGPZDTAXSVYOSG-KRWDZBQOSA-N 435.318 4.485 5 20 IIBD CN(C(=O)[C@@H]1CCCN1C(=O)CC(C)(C)C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 539354367 QVLCAJJMCPIZDT-KRWDZBQOSA-N 430.530 4.108 5 20 IIBD Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 543224376 SKQHHUIEGIBMNY-UHFFFAOYSA-N 430.424 4.269 5 20 IIBD C[C@H](NCCOc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)no1 543543546 GLYIHFDTWQJHCW-LBPRGKRZSA-N 433.262 4.137 5 20 IIBD COc1cc(CN[C@H](CO)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])cc1OC(F)F 543806808 CEIHGJQNRVTMKU-CYBMUJFWSA-N 436.333 4.047 5 20 IIBD Nc1ccc(-c2noc(C3CCN(C(=O)c4cccc5ccccc45)CC3)n2)cc1[N+](=O)[O-] 544932486 QEAPSIODCYIURC-UHFFFAOYSA-N 443.463 4.400 5 20 IIBD COC(=O)[C@@H](C)Cc1ccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 546844369 DVAYYJSPWIIBHZ-INIZCTEOSA-N 441.484 4.022 5 20 IIBD COc1cc(Cc2noc(-c3cnn(-c4ccc(Cl)cc4)c3C)n2)ccc1[N+](=O)[O-] 547189983 XFTCAOPUOYEJPS-UHFFFAOYSA-N 425.832 4.392 5 20 IIBD O=[N+]([O-])c1ccc(N2CCO[C@@H](c3ccc(F)cc3F)C2)nc1OCc1ccccc1 548614108 IPHDUZCHVUMWEP-HXUWFJFHSA-N 427.407 4.425 5 20 IIBD C[C@@H](c1ccccc1F)N1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2Br)C1=O 549198241 FQRZOGUDZYMZNS-ZBEGNZNMSA-N 437.269 4.056 5 20 IIBD CCOCCCn1c(C2CCCC2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 549348042 JSIHHQAXJXVMBC-UHFFFAOYSA-N 443.548 4.318 5 20 IIBD CC(C)(c1noc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)n1)c1cccc2ccccc12 551119385 COTVHRREWVVFBC-UHFFFAOYSA-N 445.479 4.456 5 20 IIBD CC[C@@H](Cc1ccccc1)N(CC)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 551458209 MVRNFTVBRWOGAQ-KRWDZBQOSA-N 448.317 4.166 5 20 IIBD Cc1n[nH]cc1C1CCN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CC1 552767635 ZSBNMYPVLHAICM-UHFFFAOYSA-N 449.298 4.139 5 20 IIBD CC[C@@H](c1ccccc1)c1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C[C@@H]1CCOC1 555483687 CEJXRFAYIRRGIZ-RXVVDRJESA-N 435.528 4.401 5 20 IIBD CC1(C)CC[C@H](NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c2ccccc21 556516961 NMMQRBIBFBCHQK-KRWDZBQOSA-N 446.301 4.225 5 20 IIBD CCCc1c(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2CC)cnn1-c1ccc(C)cc1 558534662 LCODQRZQADYXTN-UHFFFAOYSA-N 435.484 4.181 5 20 IIBD O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N[C@@H](CC1CCC1)c1ccccc1 560205515 RDQUDODLDGNXMO-SFHVURJKSA-N 446.301 4.344 5 20 IIBD O=C(N[C@H]1CCSc2ccc(Cl)cc21)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 560845987 CPPMJIJKMIGWIC-SFHVURJKSA-N 445.928 4.093 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3cccc4c3CNC4=O)cc2[N+](=O)[O-])n1 561686200 YKMKOWDJBXWVRH-UHFFFAOYSA-N 426.479 4.007 5 20 IIBD CCc1cc(=NC(=O)c2c(C)nn(Cc3ccccc3)c2C)c2cc([N+](=O)[O-])ccc2[nH]1 562413530 NCKQUDYMOCLYEU-UHFFFAOYSA-N 429.480 4.241 5 20 IIBD CC[C@@H](NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C 563760589 CVNGUGMYSJSDDW-GOEBONIOSA-N 428.489 4.013 5 20 IIBD CC(C)c1cc(NC(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n(-c2ccccc2)n1 564476863 RCPNLMXLIBJJOG-UHFFFAOYSA-N 447.495 4.034 5 20 IIBD CC[C@@H](C)c1ccc(N(Cc2nnc(C)o2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 571064441 QJCVICVKONLQLI-CQSZACIVSA-N 430.486 4.195 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)c1 578769359 JEBXXHWNFZFAAF-UHFFFAOYSA-N 425.485 4.426 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCOc2ccc(Br)cc2C1 580169252 KLPXRJUDNLQHJT-LBPRGKRZSA-N 445.273 4.363 5 20 IIBD CCOC(=O)c1c(CC(C)C)csc1NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 582641793 OWIGUVRSKBKAET-UHFFFAOYSA-N 449.533 4.097 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(Br)cc2F)cc1OC 586837192 MPRBJZNDAZDAOM-JTQLQIEISA-N 441.253 4.395 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 590202928 QQFFSASIRPCEGI-UHFFFAOYSA-N 445.401 4.419 5 20 IIBD Cn1cc(C(=O)N2CC(Cc3cccc(C(F)(F)F)c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 590423098 IONAILAONQAJET-UHFFFAOYSA-N 444.413 4.329 5 20 IIBD CCCN1C(=O)c2ccccc2N[C@H]1c1cc(I)cc([N+](=O)[O-])c1 602761682 SJHMEAZKXTXGLL-MRXNPFEDSA-N 437.237 4.176 5 20 IIBD COC(=O)c1ccc(-c2csc(NC(=O)c3ccc(SC)c([N+](=O)[O-])c3)n2)cc1 603453229 QMCHUFJTNOTMAM-UHFFFAOYSA-N 429.479 4.479 5 20 IIBD CCN(CC(F)(F)F)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 603618858 NUIXJAUGNOUNGL-UHFFFAOYSA-N 432.402 4.401 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 603713710 AUFVHNKDLCWYPC-QWRGUYRKSA-N 442.360 4.215 5 20 IIBD Cc1ccc(-n2nnc(C(=O)Nc3nc(-c4ccc(C)c([N+](=O)[O-])c4)cs3)c2C)cc1 603952476 ZHDPMGDHWOBODY-UHFFFAOYSA-N 434.481 4.477 5 20 IIBD COc1ccc(C[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])c2ccccc2)cc1OC 608968469 OEFUIXMYRXVCMD-HXUWFJFHSA-N 435.480 4.124 5 20 IIBD Cc1nc(CSc2ccccc2C(=O)NCCOc2ccc([N+](=O)[O-])cc2)cs1 609455128 KQMKMHJLDIQVIO-UHFFFAOYSA-N 429.523 4.461 5 20 IIBD CC1(C)CN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCCO1 609755902 XEHMTNMOMJFMKP-UHFFFAOYSA-N 434.496 4.018 5 20 IIBD CCCCCN(Cc1ccc(F)cc1)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 609761512 NCPQGIDIPVZOFL-UHFFFAOYSA-N 435.883 4.336 5 20 IIBD CCN(C(=O)[C@@H](C)SCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C1CCCCC1 609770950 UNXGRTFEJXKESJ-OAHLLOKOSA-N 435.546 4.196 5 20 IIBD Cc1nc([C@@H]2CCCCN2C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])no1 609975792 UHDAJJCAUYDZIF-LBPRGKRZSA-N 430.408 4.151 5 20 IIBD Cc1cccc(C(=O)N2CCCC2)c1NC(=O)c1ccc([N+](=O)[O-])cc1Br 610039587 NYQNZMGMBZUTHX-UHFFFAOYSA-N 432.274 4.154 5 20 IIBD CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H](c1cccc(F)c1)c1cnn(C)c1 610043822 PLISZPZNQDJZKL-SFHVURJKSA-N 447.264 4.092 5 20 IIBD CN(CC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1[N+](=O)[O-] 610290411 SWACBDXCKZFAAF-GDNZZTSVSA-N 427.345 4.057 5 20 IIBD O=C(c1cnn(-c2ccccc2Cl)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 610305564 XJGSDKXEJDKNML-UHFFFAOYSA-N 426.860 4.118 5 20 IIBD C[C@@H]1c2ccsc2CCN1c1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] 610350277 NDIFKOHHHUDQDW-OAHLLOKOSA-N 435.571 4.345 5 20 IIBD COC(=O)c1sc2ccccc2c1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] 610572226 DXEUJQDBAIQUQZ-UHFFFAOYSA-N 449.282 4.289 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCC(CN3CCCCCC3)CC2)cc1[N+](=O)[O-] 611073151 ADKPWXLICBRPDY-UHFFFAOYSA-N 438.366 4.394 5 20 IIBD CC(=O)Nc1cc(Cl)ccc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 727529876 QOEFQRLHFMSGKG-SECBINFHSA-N 440.239 4.044 5 20 IIBD Cc1c(C(=O)OCc2cc([N+](=O)[O-])ccc2OC(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 729118471 DXAKSLLPHIAXEW-UHFFFAOYSA-N 433.373 4.172 5 20 IIBD O=C(c1ccc(I)c([N+](=O)[O-])c1)N(CCc1ccccc1)C1CC1 730474469 HNBZQNAEEXICAJ-UHFFFAOYSA-N 436.249 4.047 5 20 IIBD Cc1c(C(=O)OCc2csc(-c3cccs3)n2)nnn1-c1cccc([N+](=O)[O-])c1 733514198 RSXHRRRCRMWAJA-UHFFFAOYSA-N 427.467 4.026 5 20 IIBD C[C@@H](CC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc(F)cc1 733520044 BWYHQIVWGFFCGM-NSHDSACASA-N 428.338 4.428 5 20 IIBD CCc1cc2c(COC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])cc(=O)oc2cc1O 735147137 ACKCDFYVCOOEDO-UHFFFAOYSA-N 447.827 4.135 5 20 IIBD C[C@@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)c1nc2cc(Br)cnc2[nH]1 735214713 TXVSYCQXSZMUMW-SECBINFHSA-N 437.275 4.025 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2csc(Cc3ccccc3F)n2)cccc1[N+](=O)[O-] 735559308 YMNDLWGVCXMLEH-CYBMUJFWSA-N 443.456 4.274 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 743266596 FCWFOIFLVVNUDB-GFCCVEGCSA-N 439.465 4.120 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1F)N(C[C@@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F 744382950 BVQBFVWMFDSXDG-MRXNPFEDSA-N 439.409 4.261 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OCc1ncc(-c2cccc(Br)c2)o1 744627225 VCOAJVLJMIIXAP-UHFFFAOYSA-N 446.257 4.435 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(NC(=O)CC(C)C)ccc1Cl 745171487 IZYAXOUXMDAEOI-UHFFFAOYSA-N 447.875 4.337 5 20 IIBD O=C(COC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)Nc1cc([N+](=O)[O-])ccc1F 745346759 LFAGJPMBSIRYMP-KGLIPLIRSA-N 427.215 4.326 5 20 IIBD COCCNC(=O)/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1nc2ccccc2[nH]1 745998064 GCHMVOKVEHBQLM-VKAVYKQESA-N 432.436 4.034 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2cc(Cl)ccc2OC(F)F)cccc1[N+](=O)[O-] 748915790 CBNQYJZZILUMHA-JTQLQIEISA-N 428.775 4.342 5 20 IIBD CS(=O)(=O)c1cccc([C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c2ccccc2)c1 750199053 YUXORSOQVLOYSR-LJQANCHMSA-N 444.896 4.171 5 20 IIBD COc1ccc(CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cc1F 750864112 LNTYUVCMUYGXFE-UHFFFAOYSA-N 431.645 4.131 5 20 IIBD O=C(Cc1ccc(OCc2ccccn2)cc1)O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 752515701 KQIGAWCWSCROJG-SFTDATJTSA-N 436.468 4.035 5 20 IIBD Cc1c(Br)cc(C(=O)OCc2nc(C(F)(F)F)cs2)cc1[N+](=O)[O-] 753431559 KDIJRVNDUMVVPH-UHFFFAOYSA-N 425.182 4.498 5 20 IIBD O=C(COC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1cccc([N+](=O)[O-])c1 753520031 AKCBOOAHPPJJQQ-QFIPXVFZSA-N 431.400 4.089 5 20 IIBD COc1ccc(-c2nc(C)c(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)s2)cc1OC 753598643 SUQHBDLQQAMLDL-UHFFFAOYSA-N 442.449 4.084 5 20 IIBD COc1ccc(-c2nn(CN3CCc4c3cccc4[N+](=O)[O-])c(=O)c3ccccc23)cc1 754775463 AYQDFCLRBRJVFS-UHFFFAOYSA-N 428.448 4.001 5 20 IIBD O=[N+]([O-])c1cccc2c1CCN2Cn1nc(-c2ccncc2)n(Cc2ccccc2)c1=S 754775794 FUZQSCDYPSYFAH-UHFFFAOYSA-N 444.520 4.453 5 20 IIBD Cc1nc(-c2cccc(NC(=O)COC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)c2)cs1 755064778 ATSCHYOMLDXABE-LBPRGKRZSA-N 443.456 4.451 5 20 IIBD CCOC(=O)c1ccc2c(c1)CCCN2C(=O)c1cc([N+](=O)[O-])ccc1Br 759097068 IBUXDEHEZYQPJF-UHFFFAOYSA-N 433.258 4.127 5 20 IIBD Cc1ccc(C(=O)N2CCC[C@@H](C(=O)OCc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)cc1 760495874 BJMDYMHUFKKOGW-LJQANCHMSA-N 449.463 4.154 5 20 IIBD Cc1ccc(Br)c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 764195394 GRQXXTSPLQPNEN-UHFFFAOYSA-N 427.638 4.115 5 20 IIBD Cc1nn(CCC(=O)O[C@@H](C)c2nc3cc(C(F)(F)F)ccc3n2C)c(C)c1[N+](=O)[O-] 764542375 YYCHUOBDIVYYDK-LBPRGKRZSA-N 439.394 4.008 5 20 IIBD COc1cccc(C(=O)Oc2ccc(Oc3ncc(Br)cn3)cc2)c1[N+](=O)[O-] 766955505 CVDXJKGOXOELRD-UHFFFAOYSA-N 446.213 4.167 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)CCCc1cc(-c2ccccc2)no1 769901977 VRMXRYUSEOKZSQ-UHFFFAOYSA-N 449.916 4.465 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 775088487 COYGOWLZLORGNP-LBPRGKRZSA-N 433.442 4.188 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])c1 775546145 AYLRZKDXBWSIQE-RYUDHWBXSA-N 427.379 4.180 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nn1-c1ccc(F)cc1 777154118 VGUOMIJOANSJQY-LBPRGKRZSA-N 446.822 4.065 5 20 IIBD CCN(c1cccc2ccccc12)S(=O)(=O)c1ccc(NC(=O)OC)c([N+](=O)[O-])c1 777677240 IZTSYUJYSQRYTI-UHFFFAOYSA-N 429.454 4.142 5 20 IIBD O=C(Nc1cccc(CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c1)c1cccc(F)c1 777945467 ICBHIFMJHLZBGI-UHFFFAOYSA-N 443.381 4.394 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cc(Cl)cc(C(F)(F)F)c1 778524610 IARAYCKEGABYRQ-SECBINFHSA-N 446.765 4.460 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1c(C)cccc1[N+](=O)[O-] 780282343 IDAVQLALEYYRBG-UHFFFAOYSA-N 433.442 4.109 5 20 IIBD COc1cc(C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc(OC)c1C(C)C 781292197 PSKACTNIPNSFCE-UHFFFAOYSA-N 427.413 4.142 5 20 IIBD Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1cccc([N+](=O)[O-])c1Br 781675198 BSOHSHAECUNTKR-CHWSQXEVSA-N 435.274 4.088 5 20 IIBD COc1cccc(-c2nc(COC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cs2)c1 781735808 CNPFITKWDOYJDW-UHFFFAOYSA-N 443.437 4.311 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCSc2ncc(C(F)(F)F)cc2Cl)cc1 783716265 FWEOZXMXXCCXHB-UHFFFAOYSA-N 426.825 4.228 5 20 IIBD C[C@H](OC(=O)Cc1nc(-c2ccc(F)cc2)cs1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 787003501 DPVRAPLBHGJPHK-NSHDSACASA-N 447.419 4.109 5 20 IIBD O=C(c1ccc(F)cc1)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 790148100 PSEQKWNFLGRNND-UHFFFAOYSA-N 439.487 4.459 5 20 IIBD C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 790211223 UTUAQAWWVFCVOJ-GFCCVEGCSA-N 437.374 4.403 5 20 IIBD Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC(CC(F)(F)F)CC1 790442208 CUDOFNKPPWOJCL-UHFFFAOYSA-N 445.257 4.019 5 20 IIBD Cc1cc(-c2noc([C@@H](C)NC3CCN(c4ccc([N+](=O)[O-])cc4)CC3)n2)ccc1F 792181104 OFCYHWFMNJPSNF-OAHLLOKOSA-N 425.464 4.412 5 20 IIBD CNC(=O)COc1ccc(NCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)c(C)c1 793398844 SATQKTSQABHJLM-UHFFFAOYSA-N 434.496 4.408 5 20 IIBD COc1ccc([C@H]2CCCN2C(=O)COc2cc(F)c([N+](=O)[O-])cc2Cl)c(OC)c1 795246554 KRPDTAURTUKJIE-MRXNPFEDSA-N 438.839 4.147 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Oc2ccccc2CNC(=O)OC(C)(C)C)c1 795985091 IECLYFLRCMNVQA-UHFFFAOYSA-N 436.486 4.004 5 20 IIBD CC1(C2CCN(C(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])CC2)OCCO1 799681800 HJMIZTBOXPNSKX-UHFFFAOYSA-N 428.510 4.361 5 20 IIBD CCc1ccccc1OCCC(=O)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C 807990441 BVONSARKNLQQGY-UHFFFAOYSA-N 438.484 4.413 5 20 IIBD CN(c1ccccc1)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 809809570 RLXUMEMJLQTZBM-UHFFFAOYSA-N 444.340 4.191 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)c(Cl)cc1Cl 809832757 SGFNFAPDLVEVGR-WBMJQRKESA-N 431.297 4.100 5 20 IIBD C[C@H]1CN(Cc2ccc(CNC(=O)Nc3cccc([N+](=O)[O-])c3Cl)cc2)C[C@@H](C)O1 809916420 JPXKMVOXAUYSFX-GASCZTMLSA-N 432.908 4.179 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 813530975 WNNLPUOCEDHSSU-NWDGAFQWSA-N 432.304 4.467 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 819998224 BGGKIYYFDFQYST-UHFFFAOYSA-N 428.170 4.056 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1nc2ccccc2n1C(F)F 823765615 RIUVMQZPZOKCEG-CYBMUJFWSA-N 429.427 4.431 5 20 IIBD O=C(Cn1ccc([N+](=O)[O-])n1)OCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 917613648 LIFBMSPVOCVKRN-UHFFFAOYSA-N 437.843 4.041 5 20 IIBD Cc1c(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 917778242 HYCQNDQOXJSEMT-UHFFFAOYSA-N 426.429 4.080 5 20 IIBD C[C@@H](OC(=O)CCOc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)c(Cl)c1 919492762 ISNKMUVSFJHKIY-LLVKDONJSA-N 427.240 4.241 5 20 IIBD O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)c(Cl)c1)c1cc([N+](=O)[O-])c[nH]1 919867833 UICAXNNMFKITLC-UHFFFAOYSA-N 439.903 4.151 5 20 IIBD CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F 919993931 KAPHDGISBOAFHZ-JOCHJYFZSA-N 441.434 4.348 5 20 IIBD CCOC(=O)c1ccn(-c2cccc(NC(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)c2)n1 1319474820 MLISUVDOPNVDKF-HNNXBMFYSA-N 437.456 4.148 5 20 IIBD O=C(c1ccc(Br)cc1Br)N1Cc2ccc([N+](=O)[O-])cc2C1 1319932874 WSQTTZZHSCMOAO-UHFFFAOYSA-N 426.064 4.276 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1Br)c1ccc(CC(=O)N(C)C)cc1 1322615546 DCEQIKUMRZHSRE-UHFFFAOYSA-N 434.334 4.403 5 20 IIBD O=C(c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)N1Cc2ccc([N+](=O)[O-])cc2C1 1323315680 RCKDVBIFPQCBMQ-UHFFFAOYSA-N 435.440 4.199 5 20 IIBD O=c1nc(-c2cc([N+](=O)[O-])ccn2)[nH]c2cc(-c3ccc(Br)cc3)sc12 1325853931 LPSYQUGCLMFAHV-UHFFFAOYSA-N 429.255 4.384 5 20 IIBD Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ccc(O)c([N+](=O)[O-])c4)cc3)CCC2)o1 1790622554 DBFFHVWPGKHCCX-UHFFFAOYSA-N 449.463 4.192 5 20 IIBD O=C(Cc1cc([N+](=O)[O-])ccc1F)NC1(c2ccc(NC(=O)C3(F)CCC3)cc2)CCC1 1792052550 HUFJMMBREHLEIH-UHFFFAOYSA-N 443.450 4.303 5 20 IIBD O=C(Cc1ccc(Cl)cc1[N+](=O)[O-])Nc1cc([C@@H]2CCCCN2C(=O)CC2CC2)[nH]n1 1814844870 QARGTPCVIMWVGJ-KRWDZBQOSA-N 445.907 4.006 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CC=CCC2)CC1 1830280598 LBVOHXMJTXQCFM-PGRDOPGGSA-N 443.519 4.324 5 20 IIBD Cc1ccc(C(=O)N2CC3(CCCN3C(=O)CCc3cccc([N+](=O)[O-])c3)C2)c(Cl)c1 1841808871 GREHLXVSWWOKCI-UHFFFAOYSA-N 441.915 4.006 5 20 IIBD CCC[C@H]1CC[C@H](C(=O)N2CC3(CCCN3C(=O)c3cc([N+](=O)[O-])c(O)cc3C)C2)CC1 1845542417 WJYHWPFKLMHCQJ-IYARVYRRSA-N 443.544 4.032 5 20 IIBD CC(C)[C@H]1CC[C@H](C(=O)N2CCCC23CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C3)CC1 1846079715 CZYOKKXVDCNERN-QAQDUYKDSA-N 431.508 4.013 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 12258049 SRQFZPNTSKHEGY-UHFFFAOYSA-N 443.843 4.326 5 20 IIBD O=C(OCC(=O)N1CCc2sccc2C1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 14290774 GRCUKSINPJYHIP-UHFFFAOYSA-N 437.477 4.142 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1 15408271 AXCDMYGZHHUJOS-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD CSc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 22559376 PDEXNINUPVMLTB-CQSZACIVSA-N 429.498 4.101 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cccc(OCc3ccc(F)cc3)c2)c([N+](=O)[O-])c1 26544008 UGVAJIFUYZZDQR-UHFFFAOYSA-N 432.429 4.122 5 20 IIBD Cc1ccc(CNC(=O)COc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)cc1 28626468 BCQZRAWDQMLEAH-UHFFFAOYSA-N 444.443 4.372 5 20 IIBD CNC(=O)c1cccc(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c1C 46687523 HSBPTTOHBYSWHP-UHFFFAOYSA-N 442.522 4.431 5 20 IIBD O=C(Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)Nc1cccc([N+](=O)[O-])c1 59288578 LHJHJVHXAORDDN-UHFFFAOYSA-N 444.241 4.384 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCN(Cc2ccc(Cl)cc2)CC1 65084878 HCDJKRMYEARKAZ-UHFFFAOYSA-N 442.928 4.330 5 20 IIBD Cc1ccc(-n2c(SCCOc3ccccc3[N+](=O)[O-])nc3ccccc3c2=O)nc1 71960718 KXUAGYUMAZWTLN-UHFFFAOYSA-N 434.477 4.168 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc1OC 105731047 DPSIIIMQIGVDCN-CQSZACIVSA-N 428.441 4.208 5 20 IIBD CC(C)CCSc1ccc(C(=O)N(C)c2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] 109271520 MGHPVNGESKYPII-UHFFFAOYSA-N 436.555 4.413 5 20 IIBD O=C(c1ccccc1)c1ccc(N2CCn3c(nnc3-c3ccccc3)C2)c([N+](=O)[O-])c1 301425819 GTFRGUHSKLORMF-UHFFFAOYSA-N 425.448 4.105 5 20 IIBD O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn23)C1 301746552 PVZRHEGPIDXROG-SNVBAGLBSA-N 426.786 4.089 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[C@@H](COc3ccccc3Cl)C2)s1 301930788 KZDZQMBSLQUTJE-GFCCVEGCSA-N 430.935 4.009 5 20 IIBD O=c1c(Cl)c(N[C@H]2CCO[C@@H](c3ccccc3)C2)cnn1-c1ccc([N+](=O)[O-])cc1 302157640 FUYCHWKHQDWOTR-HNAYVOBHSA-N 426.860 4.126 5 20 IIBD C[C@@H](CC(C)(C)c1ccccc1)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303417672 BUBRKWZZYPNCNX-DOTOQJQBSA-N 429.542 4.134 5 20 IIBD Cc1ccc(NCCCNC(=O)c2cc(NC(=O)C(C)C)ccc2Cl)c([N+](=O)[O-])c1 303839719 IFCAJSCRIROTOI-UHFFFAOYSA-N 432.908 4.383 5 20 IIBD Cc1ccc(CNC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(Oc2ccccc2)c1 426068359 BIKKITMXVUNXNB-UHFFFAOYSA-N 435.484 4.439 5 20 IIBD C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 428267094 GTZBGNQRHPUNCQ-IBGZPJMESA-N 446.507 4.184 5 20 IIBD C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 428777690 JKWGXTHRJBLZDK-AUUYWEPGSA-N 437.418 4.038 5 20 IIBD Cc1cc([C@@H]2CCCN2C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)ccc1Br 431137130 KBIPQEXJCZREKU-KRWDZBQOSA-N 435.322 4.233 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 431660825 XYTMHWVYYQUAGC-UHFFFAOYSA-N 443.301 4.149 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2nnc([C@@H]3CCCc4ccccc43)s2)c1[N+](=O)[O-] 432525120 GDAGPNMPKSZNPV-MRXNPFEDSA-N 444.538 4.332 5 20 IIBD C[C@@H](COc1cccc(F)c1)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436143796 YAFAEINECZYHSP-LBPRGKRZSA-N 426.394 4.296 5 20 IIBD Cc1c(NC(=O)c2cccc([N+](=O)[O-])c2O)cccc1C(=O)N1CCc2sccc2C1 436933929 JENVTJKKLQIWHL-UHFFFAOYSA-N 437.477 4.121 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 437025823 ZANBDALNHKZMJS-UHFFFAOYSA-N 437.399 4.432 5 20 IIBD O=C(Nc1ccc(Sc2ccncc2)cc1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 437051676 ONDMWJZWAXOYNC-UHFFFAOYSA-N 448.504 4.271 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCN(c2ncc(Cl)cc2Cl)CC1 437159834 MDSMESMLRFRAPE-UHFFFAOYSA-N 449.216 4.278 5 20 IIBD CC(C)[C@@H]1CN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CCS1 437196578 HXHBYDGBTUOYHC-HNNXBMFYSA-N 429.329 4.301 5 20 IIBD CC[C@H](C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 438266309 AZZLNHDQJQISDG-INIZCTEOSA-N 440.418 4.483 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(COc2ccccc2)c1C 440025066 FMCPXRDABZRQRF-UHFFFAOYSA-N 449.463 4.458 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N(C[C@@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F 440421433 OVVVWUSKSBQOIL-OAHLLOKOSA-N 427.448 4.183 5 20 IIBD NC(=O)c1ccc(SCC(=O)N2CCCCC[C@H]2/C=C/c2ccccc2)c([N+](=O)[O-])c1 440878727 HYPHCCURPMAAFX-RDELFYGPSA-N 439.537 4.270 5 20 IIBD Cc1c(C[S@](C)=O)cccc1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444026517 YHQQZXBURHUXAX-HKBQPEDESA-N 440.471 4.399 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCN(C2CCCCC2)CC1 444231175 BPYMEPWISCPOND-UHFFFAOYSA-N 425.479 4.050 5 20 IIBD CN(Cc1cccs1)C(=O)c1cc(C(=O)N(C)Cc2cccs2)cc([N+](=O)[O-])c1 460761638 ZRXFMEQCMQGKEL-UHFFFAOYSA-N 429.523 4.262 5 20 IIBD C[C@@]1(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)OCCc2sccc21 460981674 PSNORHBDRFSTPM-QHCPKHFHSA-N 440.471 4.239 5 20 IIBD Cc1ccccc1-c1nnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1C[C@H]1CCOC1 461578069 ZPIZLDFKQFCHEG-LJQANCHMSA-N 433.512 4.367 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)CN(c1nnc(CC3CCCCC3)n1C[C@@H]1CCCCO1)CC2 461853956 MANJEPUSPHAZOY-QFIPXVFZSA-N 439.560 4.441 5 20 IIBD C[C@H](NCc1ccc([N+](=O)[O-])cc1F)c1ccc(Br)cc1OCCCO 463027355 DGIXVMDIWZOONR-LBPRGKRZSA-N 427.270 4.108 5 20 IIBD C[C@H](CNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Oc1ccccc1F 463950057 RSHSXGPKRRXJOO-LLVKDONJSA-N 432.395 4.429 5 20 IIBD O=C(NCCC(=O)N1Cc2ccccc2C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 464216096 SYAMCNPVUKMECL-QHCPKHFHSA-N 429.476 4.041 5 20 IIBD Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)c1c([N+](=O)[O-])c(C)nn1C 464460714 OEUFYPLTUSMUFN-UHFFFAOYSA-N 427.848 4.103 5 20 IIBD CCO[C@@H](CC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C1=CCCC1 465051159 ZKPBHDVTVIQYMD-IBGZPJMESA-N 441.450 4.168 5 20 IIBD COc1ccc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1Br 466213426 AFNDJGYKZKGAJR-UHFFFAOYSA-N 428.670 4.019 5 20 IIBD Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)c(OC[C@@H]2CCCO2)c1 466647064 MLTUSPLUNGLKLD-INIZCTEOSA-N 449.301 4.154 5 20 IIBD COCc1ccc([C@H]2CCCN2C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])o1 466850863 BPJBRWGOHWBEJD-MRXNPFEDSA-N 428.363 4.253 5 20 IIBD CN(C)C1(CNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CCOCC1 467726545 TWWGDJMGSVLVGR-UHFFFAOYSA-N 449.960 4.240 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 470120183 FEUYXBRGIIZKPR-UHFFFAOYSA-N 447.776 4.155 5 20 IIBD Cc1cc(NC(=O)N[C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)ccc1[N+](=O)[O-] 473778178 JXEPSTXORBYRON-INIZCTEOSA-N 425.489 4.042 5 20 IIBD CC(C)(C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1ccc([N+](=O)[O-])cc1 475801683 QXUDTUGNOYCWJG-INIZCTEOSA-N 436.295 4.101 5 20 IIBD O=C(N[C@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccc([N+](=O)[O-])c(O)c1 476533818 LCMTZHDVHXCMKD-QGZVFWFLSA-N 442.269 4.172 5 20 IIBD CCOc1cc(Br)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)cc1OCC 477474010 ITAZUXVORAODET-UHFFFAOYSA-N 441.253 4.475 5 20 IIBD CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1 477782570 KQBHIOBSPBUSGY-UHFFFAOYSA-N 445.541 4.130 5 20 IIBD O=C(NCc1csc(-c2ccco2)n1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 478885316 YXHLQAZXEGYATM-UHFFFAOYSA-N 427.360 4.182 5 20 IIBD Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)cc2)n1 479795140 VCDKEXUQCHGCHF-QGZVFWFLSA-N 444.495 4.289 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)c1C 480836484 HSCANZRRKQNAFD-IBGZPJMESA-N 431.901 4.328 5 20 IIBD CCn1cnnc1CNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 481602012 ZVWXTALTTQOREZ-LFIBNONCSA-N 448.508 4.063 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N2CCOC3(CCCC3)C2)cc1[N+](=O)[O-] 483293386 GWSSLZQVBAWGQC-UHFFFAOYSA-N 440.521 4.333 5 20 IIBD CCOc1ccc(NC(=O)CN(Cc2cccc(C)c2)Cc2ccccn2)c([N+](=O)[O-])c1 485110394 ZYUISFXBJKPPBE-UHFFFAOYSA-N 434.496 4.338 5 20 IIBD C[C@@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccc(NC(=O)Nc2ccccc2)cc1 485441567 XMABOFRMNQAAQN-CQSZACIVSA-N 448.435 4.459 5 20 IIBD COCCn1c(C)c(C)c2cc(C(=O)Nc3cc(C(=O)OC)cc([N+](=O)[O-])c3C)ccc21 485975491 GSMFARYSMKHAQI-UHFFFAOYSA-N 439.468 4.160 5 20 IIBD CN(CC(=O)OC(C)(C)C)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 486244472 LWORWQDKBZOKIP-UHFFFAOYSA-N 433.892 4.274 5 20 IIBD CCOc1cccc(CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1OC(F)F 487793555 BRLXGEFQKHIDBG-UHFFFAOYSA-N 443.834 4.290 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CNc3cc(Cl)ccc3OC[C@@H]3CCOC3)n2)c1 488228543 WNBJFBYVTGVMEV-CYBMUJFWSA-N 430.848 4.326 5 20 IIBD CC(C)N(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 488800634 ZSNSBJIMFJDEEW-UHFFFAOYSA-N 431.283 4.096 5 20 IIBD O=C(Nc1cccc(-c2noc(C(F)(F)F)n2)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 490282169 FWRLYHVKXAYTQI-UHFFFAOYSA-N 444.329 4.102 5 20 IIBD C[C@H](N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 494498711 WJIWWTQWASFJRT-OXNYHJJDSA-N 442.274 4.488 5 20 IIBD CC(C)(C)OC(=O)[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 494811044 OAMHJGFDVFEVCY-DEOSSOPVSA-N 442.515 4.354 5 20 IIBD COc1ccc(CN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)[C@H](CO)C(C)C)cc1 499050602 ZKNINONDKREXSB-HRAATJIYSA-N 432.542 4.130 5 20 IIBD CC(C)CN(CCc1ccccc1)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 499550068 XDCCTACDIZUNQN-UHFFFAOYSA-N 425.485 4.010 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCOC[C@H]1c1nc2ccccc2s1 500712449 CWPNJDRLFDKEPQ-AWEZNQCLSA-N 435.408 4.020 5 20 IIBD COCCN(C(=O)c1ccc2nsnc2c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 502566791 CVJDDAWTGCYOPW-UHFFFAOYSA-N 441.494 4.016 5 20 IIBD CCOCc1ccccc1CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] 503053648 AFKNTZPOPHBWMY-UHFFFAOYSA-N 447.557 4.308 5 20 IIBD COc1ccccc1[C@H]1CN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CCN1 505572911 OWSXHXYEOIJHBK-OAQYLSRUSA-N 432.480 4.134 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2cc(C(=O)N(C)C)ccc2Cl)cc1[N+](=O)[O-] 510626797 IDFBRWPCJVPJIR-UHFFFAOYSA-N 440.681 4.273 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccccc2-c2nc[nH]n2)cc1[N+](=O)[O-])c1ccccn1 512886764 LLKRUJQHQOSCCR-CQSZACIVSA-N 429.440 4.200 5 20 IIBD O=C(N[C@H]1COc2cc(F)c(Br)cc21)c1cc([N+](=O)[O-])ccc1C(F)(F)F 512936641 ZWSMJGRZSXPZSN-ZDUSSCGKSA-N 449.154 4.379 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN(CCCO)CC(F)(F)F)cc1 513402449 XBXSMSSEEGZSAR-UHFFFAOYSA-N 434.418 4.194 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)nnc1-c1cccc(C)c1 514210975 MCJNMMAZOSTHOO-AWEZNQCLSA-N 441.513 4.310 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccccc1C(=O)Nc1ccc(F)cc1 515333738 RVRXLACJSLQDFH-UHFFFAOYSA-N 438.415 4.045 5 20 IIBD Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 515632452 XFHRHHWMEWIUMY-UHFFFAOYSA-N 440.403 4.217 5 20 IIBD COc1cc(CCNC(=O)N2CCC[C@H]2Cc2ccccc2Cl)c([N+](=O)[O-])cc1OC 516661497 LDFLGKCCLMVGEK-KRWDZBQOSA-N 447.919 4.225 5 20 IIBD Cc1nc(NC(=O)c2ccc([N+](=O)[O-])n2C)sc1-c1nc2ccccc2n1C(F)F 518227591 ITLUHVLKZPHAPD-UHFFFAOYSA-N 432.412 4.362 5 20 IIBD C[C@@H](c1ccc(OC(F)(F)F)cc1)[S@](=O)Cc1cc([N+](=O)[O-])cc2c1OCOC2 521743537 CNDBOPKSKLOCIR-QUPAAXDPSA-N 431.388 4.370 5 20 IIBD COc1ccc(CN2CC[C@H](NCc3ccc(-c4ccccc4[N+](=O)[O-])s3)C2=O)cc1 522371980 KXCKGUIVSXWZHB-FQEVSTJZSA-N 437.521 4.223 5 20 IIBD O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 524058256 DXRVOIDXQVTDTE-UHFFFAOYSA-N 442.928 4.330 5 20 IIBD CCOC(=O)c1c(NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)sc2c1CCCCC2 524642019 DNRGTGUWHIFAEQ-UHFFFAOYSA-N 448.497 4.371 5 20 IIBD Cc1cc(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)ccc1C(=O)N(C)C 525366884 VXDYYIZLLTXTBD-IYBDPMFKSA-N 438.528 4.340 5 20 IIBD CN(C(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)c1cccc([N+](=O)[O-])c1 533606060 GQCKYEPFHCQHHK-UHFFFAOYSA-N 435.823 4.325 5 20 IIBD COc1cc(NC2CCN(C(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)CC2)cc(OC)c1 538781161 KLLRFKZWUUEGGI-UHFFFAOYSA-N 427.501 4.254 5 20 IIBD C[C@H]1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC12CCC2 538924426 JYTSMWWOVALSEG-INIZCTEOSA-N 443.525 4.048 5 20 IIBD O=C(Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)Nc1ccc(OC(F)F)c(Cl)c1 539272961 SUPXLVZNMSOXEL-UHFFFAOYSA-N 431.182 4.491 5 20 IIBD O=C(N[C@@H](CO)c1c(F)cccc1F)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 539973386 AXSWIYIFSNPPSQ-IBGZPJMESA-N 430.432 4.488 5 20 IIBD O=C(N=c1cc[nH]cc1[N+](=O)[O-])N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 540979645 JLSJTEPQGIHIJR-UHFFFAOYSA-N 432.267 4.348 5 20 IIBD COc1ccc(C2(CNC(=O)c3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])CCC2)cc1 543228478 XLQMEMISMPPXJI-UHFFFAOYSA-N 436.411 4.065 5 20 IIBD Cc1nc(-c2ccccc2)sc1NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 543330319 XLEJTOQYJJCJHP-UHFFFAOYSA-N 430.873 4.049 5 20 IIBD COc1cc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)ccc1N1CCCC1=O 550197339 DYLLAUGJIMRAFX-UHFFFAOYSA-N 448.273 4.053 5 20 IIBD CC(C)Oc1ccc([C@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 551517354 LDUJHNPZFKXZKN-AWEZNQCLSA-N 426.922 4.160 5 20 IIBD COCCC[C@@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1 553580708 RRPIKNFLCVDDTL-ZDUSSCGKSA-N 432.951 4.336 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@H]2c3cc(Br)ccc3CC2(C)C)cccc1[N+](=O)[O-] 563463977 JZFBVRBFTLMDMF-KRWDZBQOSA-N 446.301 4.044 5 20 IIBD CC[C@H](C)N(Cc1nc(O)c2ccccc2n1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 564203663 IYJIZGWEVDKYSY-AWEZNQCLSA-N 434.456 4.094 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2 564245321 UAYAWNIKSBLJOY-UHFFFAOYSA-N 447.516 4.457 5 20 IIBD Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 566941706 QVGUCXGHMUNPGG-NSHDSACASA-N 434.365 4.328 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@@H](c3ccccc3)C[C@@H]2OC)cc1OC 569269893 ZKJNHLDLFOKPGG-POAQFYNOSA-N 428.485 4.083 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(NC(=O)c3ccc(C)cc3)c2)c1 574904820 LDLPTVMLOJZZFP-UHFFFAOYSA-N 433.464 4.484 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 576369081 HIIWHVFLUXRTMV-NRFANRHFSA-N 433.430 4.352 5 20 IIBD O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 603683014 WSQSOGOTLCAQFM-UHFFFAOYSA-N 438.280 4.365 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)cccc1[N+](=O)[O-] 603708325 BEHMIOJBGWIRQJ-JOCHJYFZSA-N 429.432 4.494 5 20 IIBD O=C(NC[C@H](c1ccccc1)N1CCc2sccc2C1)c1ccc([N+](=O)[O-])cc1F 603963647 UUWFTMSONPLPPK-HXUWFJFHSA-N 425.485 4.325 5 20 IIBD COc1cc(OCC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] 604456617 CKIYUMVMZMFQIK-URLYPYJESA-N 444.328 4.008 5 20 IIBD COc1cc(CNCCN2Cc3ccccc3C2)ccc1OCc1ccc([N+](=O)[O-])cc1 608782097 IYSPPXXIWBOWOI-UHFFFAOYSA-N 433.508 4.288 5 20 IIBD COc1cc(CNC2CCN(CC(F)F)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 608782149 GWRQKWKMADKXQP-UHFFFAOYSA-N 435.471 4.002 5 20 IIBD O=C(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)Nc1cc(C(F)(F)F)ccc1Cl 608869807 OXVKWBPVDGLTKR-UHFFFAOYSA-N 425.754 4.164 5 20 IIBD Cc1nn(C)c(N2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)c1[N+](=O)[O-] 609511760 OXYJPIPNGMGUBK-HXUWFJFHSA-N 440.548 4.330 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1cccc(CSC2CCOCC2)c1 609715066 HORBFMXTOKAUEK-UHFFFAOYSA-N 430.530 4.241 5 20 IIBD COc1ccc(OC)c(C(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)c1 609816590 ACFURCHCKJIGOT-UHFFFAOYSA-N 434.408 4.310 5 20 IIBD Cc1ccc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c2[nH]ncc12 609929553 FYFMXOFPKFRREJ-UHFFFAOYSA-N 448.405 4.152 5 20 IIBD Cc1ccc(NCCCNC(=O)Nc2cccc(NC(=O)c3ccoc3)c2)c([N+](=O)[O-])c1 610094984 XYWBFKDUCCVXEY-UHFFFAOYSA-N 437.456 4.372 5 20 IIBD Cc1ccc(NC(=O)c2cc(C)c(OCC(=O)N3CCCCC3)c(C)c2)cc1[N+](=O)[O-] 610168624 LFGVHTDKPIEFAY-UHFFFAOYSA-N 425.485 4.164 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@H](C)O[C@@H](C(F)(F)F)C2)cc1 610398764 NJZSLORXZZLHGG-KPZWWZAWSA-N 440.374 4.188 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 610605761 BWIYTFQSWYJICV-IUCAKERBSA-N 435.118 4.170 5 20 IIBD Cc1sc(NC(=O)[C@H](C)c2ccc(S(C)(=O)=O)cc2)nc1-c1cccc([N+](=O)[O-])c1 610649919 UKKUHQKAMBOPCS-GFCCVEGCSA-N 445.522 4.172 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCO[C@H]([C@H]2CCCO2)C1 610687728 TZQUOWZBUNOSHG-UXHICEINSA-N 432.860 4.061 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N[C@H]1CCN(C(=O)C2CCCC2)C1 610773339 SUKHDKPTGLYFNV-SFHVURJKSA-N 438.484 4.300 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CCCc2sccc2C1 619773106 KCUQLHZFSLSUPR-UHFFFAOYSA-N 442.278 4.158 5 20 IIBD C[C@H](Sc1ncccc1C(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1 726325383 DJHDGMZWVIJMSA-CABCVRRESA-N 429.498 4.011 5 20 IIBD Cc1c(C(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 727314470 YHNZFCBMGNWKDI-UHFFFAOYSA-N 438.415 4.231 5 20 IIBD C[C@@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1ccc2c(c1)CC(=O)N2C 728260095 NJAVOZRAQJJIKH-OAHLLOKOSA-N 430.464 4.348 5 20 IIBD CSc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1[N+](=O)[O-] 728478932 MLIHKOJVNYAEBS-UHFFFAOYSA-N 433.445 4.370 5 20 IIBD CCOc1ccc(OC(C)(C)C(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1 729192336 FVYUKVJPBHCNLU-UHFFFAOYSA-N 443.500 4.006 5 20 IIBD CC(C)(C)c1ccccc1OCC(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 729192542 KFKXXDDADOUJES-UHFFFAOYSA-N 427.501 4.126 5 20 IIBD C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCCC[C@@H]2c2cc3ccccc3[nH]2)C1=O 731027845 QUPITNLKMLTICR-ZJSXRUAMSA-N 447.495 4.028 5 20 IIBD Cn1c2ccccc2c2cc(C(=O)O[C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)sc21 731501822 HJHBZHDLSHNEJO-SFHVURJKSA-N 435.461 4.264 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 732954391 ZHLRFCLXGXJQKW-MOSHPQCFSA-N 439.855 4.271 5 20 IIBD O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cc(Cl)ccc1[N+](=O)[O-] 733990719 IYHXGGHTDFPIMP-HNNXBMFYSA-N 427.810 4.271 5 20 IIBD COc1ccc([C@H](OC(=O)CSc2ccc([N+](=O)[O-])cc2)[C@H](C)n2cccn2)cc1 734083159 JRGGFIBLDLBSKN-YCRPNKLZSA-N 427.482 4.438 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)c1 734108847 JHGCSHMVKGWLFN-UHFFFAOYSA-N 427.457 4.149 5 20 IIBD CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)OCc1cc([N+](=O)[O-])ccc1Cl 734781355 WUNIBNOCMPOTHD-GOSISDBHSA-N 434.876 4.427 5 20 IIBD Cc1cc[n+](/C(C(=S)Nc2ccc3c(c2)OCO3)=C(/O)c2ccc([N+](=O)[O-])cc2)cc1 735297171 YDQQZIQUBVXXCM-UHFFFAOYSA-O 436.469 4.243 5 20 IIBD O=C(CC1(O)CCCC1)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 735955718 CDWANJRAFDPGBE-IBGZPJMESA-N 432.860 4.166 5 20 IIBD CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)OCc1ccc([N+](=O)[O-])cc1Br 739579528 HMTSZNOTJBNBMT-LJQANCHMSA-N 445.269 4.365 5 20 IIBD CNC(=O)c1cc(C)ccc1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 741199279 QCFBFMYIRYETKA-UHFFFAOYSA-N 427.404 4.012 5 20 IIBD Cc1ccc(-n2cnnc2SCC(=O)OCc2ccc(Cl)c([N+](=O)[O-])c2)cc1C 741440517 OCBAZXHMBSNJHJ-UHFFFAOYSA-N 432.889 4.281 5 20 IIBD Cc1ccc(NC(=O)c2ccccc2)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1F 742028776 GSBTUUKYSYJSMD-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD CCO[C@H](C)c1nc(CN2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)cs1 742420754 GVZAFKZTVFKIBX-CYBMUJFWSA-N 433.559 4.081 5 20 IIBD C[C@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1c(F)cccc1Cl 745073635 JTTGIMQKAWVVOY-ZDUSSCGKSA-N 436.867 4.255 5 20 IIBD CC(C)(C)Cc1nc(-c2ccc(C(=O)OCC(=O)Nc3ccccc3[N+](=O)[O-])cc2)no1 745217231 OUVSMHSAXDHZQY-UHFFFAOYSA-N 438.440 4.029 5 20 IIBD C[C@H](OC(=O)[C@@H]1C[C@]12CCCc1ccccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 745715019 GTHWGOKPFPORCD-SRMJIJMDSA-N 428.872 4.413 5 20 IIBD C[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)N(C)c1ccccc1 749422054 NEXKQYOYJXMOPM-NSHDSACASA-N 426.698 4.265 5 20 IIBD C[C@H](OC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 750400893 QAHUQCMZVOTZPO-SCLBCKFNSA-N 447.285 4.266 5 20 IIBD Cc1ccc(CCCC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)s1 750972971 GGFNJBZNHHOLIN-UHFFFAOYSA-N 430.404 4.488 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@H]1C[C@H](O)c1cccs1 750997877 DZAUKENNZVYVRE-FZMZJTMJSA-N 427.429 4.378 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)C(=O)NCCC1=CCCCC1 751690711 DKPIXMLSZPVMHL-LLVKDONJSA-N 443.269 4.048 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)cc1[N+](=O)[O-] 752416792 NXHMQPFEABMHIU-QAIWHXNASA-N 444.451 4.025 5 20 IIBD C/C(=C\C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccccc1OC(F)F 753544679 VIMAOXBRRYYQIU-GCZGRYASSA-N 434.395 4.478 5 20 IIBD O=C(NCCSCc1ccccc1F)c1cc(F)cc([N+](=O)[O-])c1Br 754632191 QCGSXCNMJHADOO-UHFFFAOYSA-N 431.258 4.299 5 20 IIBD O=C(NCc1ccco1)c1cccc(COC(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c1 754988508 NYQDBEBRCVUHOM-UHFFFAOYSA-N 432.791 4.267 5 20 IIBD CCOc1ccc([C@@H]2CCCN2C(=O)COC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 755059760 DQHMFKJMOFNLOO-BTYIYWSLSA-N 444.459 4.143 5 20 IIBD C[C@@H](OC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1nc2cc(Br)cnc2[nH]1 755665917 SVZKFHSVESFJHC-RKDXNWHRSA-N 437.225 4.176 5 20 IIBD O=C(COC(=O)CCC(=O)c1cc(Cl)sc1Cl)Nc1cc([N+](=O)[O-])ccc1F 756618153 SAJSDZUCQZYKIZ-UHFFFAOYSA-N 449.243 4.247 5 20 IIBD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 758496053 NMLGJZXGZQPVOH-OLZOCXBDSA-N 426.901 4.405 5 20 IIBD Cc1cccc(-c2nc(CC(=O)O[C@@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)cs2)c1 759955279 XALGEWPUBLRGOO-ZWKOTPCHSA-N 426.498 4.493 5 20 IIBD C[C@@H](C(=O)N1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 761647524 OVOLEWCIWAXRGI-UZLBHIALSA-N 431.533 4.336 5 20 IIBD Cc1cc(C)c(NC(=O)CCCOC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c(C)c1 763851026 ADYRKMZCGRLVDU-UHFFFAOYSA-N 436.468 4.281 5 20 IIBD CCO[C@@H]1C[C@H](N(C)Cn2nc(-c3ccc([N+](=O)[O-])cc3)n(CC)c2=S)C12CCC2 765076644 ILKWFCRQJMCGBY-ZWKOTPCHSA-N 431.562 4.246 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](Cc2ccccc2)C(=O)OC2CCCC2)c1 769739481 CVSCDCKCUSMXNG-IBGZPJMESA-N 428.510 4.144 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 770016918 RRGVIVSLEAEOKA-UHFFFAOYSA-N 441.246 4.031 5 20 IIBD COc1cc(/C=C(\C(=O)NCc2ccccc2)c2nc3ccccc3[nH]2)ccc1[N+](=O)[O-] 770566697 PDRDGBPAIPJPRT-AQTBWJFISA-N 428.448 4.337 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cc1[N+](=O)[O-] 772234611 DWJHVIBMKIZTDS-SNVBAGLBSA-N 444.391 4.307 5 20 IIBD COc1ccc([C@@H](OC)[C@@H](C)NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1 772416170 NSDVVDJACLCULH-DIFFPNOSSA-N 438.278 4.264 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CCOC)c1cccc(Br)n1 776361956 DGANHPYDUIROPS-OAHLLOKOSA-N 436.306 4.001 5 20 IIBD CSc1cccc(C(=O)OCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-] 777075158 SBPBTGLFJOLJML-UHFFFAOYSA-N 430.360 4.011 5 20 IIBD CC(C)(C)OC(=O)N1CCC(N(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C2CC2)CC1 777953889 BZRQMMPDFICYPM-UHFFFAOYSA-N 439.459 4.077 5 20 IIBD COc1cc(C(=O)OCc2csc(Nc3ccccc3C)n2)c([N+](=O)[O-])cc1OC 778803090 MJWZJOLYQCLQGD-UHFFFAOYSA-N 429.454 4.478 5 20 IIBD CN(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ncc(Cl)n1C 779160039 AWPDEOLLSJTGIP-UHFFFAOYSA-N 436.903 4.466 5 20 IIBD Cc1cc(N2C[C@H](C(=O)O[C@@H](c3cccnc3)c3ccccc3[N+](=O)[O-])CC2=O)ccc1F 780033092 RONWYXPVPFZCOA-HXOBKFHXSA-N 449.438 4.123 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2ccc([C@H](C)O)c(C)n2)cc1 781006272 FUIJTXNRWJWZTD-HNNXBMFYSA-N 437.452 4.082 5 20 IIBD C[C@@H](OC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)C12CC3CC(CC(C3)C1)C2 781736340 MAVROHGXYZXDRO-ZHHULCEESA-N 430.457 4.153 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCSc2nnc(CCC3CCCCC3)o2)cc1 783897990 JQEUQAUILAOJAO-UHFFFAOYSA-N 425.532 4.057 5 20 IIBD CCCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H](C)C(=O)Nc1ccccc1C 786130151 BAIHXXIYGLLUKO-INIZCTEOSA-N 430.480 4.110 5 20 IIBD C[C@H](NC(=O)N1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2)c1cccc([N+](=O)[O-])c1 790215571 KVMTYNFJAFKSPM-KRWDZBQOSA-N 446.548 4.479 5 20 IIBD O=C(c1cc(C(F)(F)F)cnc1Cl)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 790931358 OFUQQXJYPOFRGJ-UHFFFAOYSA-N 429.782 4.346 5 20 IIBD COc1cc(NC(=O)c2ccccc2)c(C(=O)NCc2cccc([N+](=O)[O-])c2C)cc1OC 791021390 OSICGIKFUINMCN-UHFFFAOYSA-N 449.463 4.103 5 20 IIBD CCc1onc(-c2ccccc2)c1C(=O)O[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 795934253 OUVGMXACZUJMBG-ZDUSSCGKSA-N 439.424 4.005 5 20 IIBD CO[C@@H]1CCC[C@@H](CC(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 796071140 XAUVOKLABHNSJU-YRGRVCCFSA-N 432.395 4.079 5 20 IIBD O=C(COC(=O)c1cc(C2CC2)cnc1Cl)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 796171029 FYSUPTXQPXMMHX-UHFFFAOYSA-N 443.765 4.335 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC[C@H]1c1ccc(Br)c(F)c1 797573623 ISKCUOGGCTWQGV-INIZCTEOSA-N 441.228 4.378 5 20 IIBD O=C(c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O)N1CCCCC[C@H]1c1ccco1 798173707 YEGQTPCTJMJURD-HNNXBMFYSA-N 430.848 4.490 5 20 IIBD CC(C)(C)OC(=O)NC1CCC(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC1 798294228 MXWBXVZZBHGWAA-UHFFFAOYSA-N 440.500 4.223 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 800624122 JPDUJTVMOSEPFF-CYBMUJFWSA-N 439.365 4.016 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(I)c1)c1c(F)c(F)cc(F)c1F 801700134 RKQPWCPPLGAIEZ-UHFFFAOYSA-N 440.090 4.008 5 20 IIBD CC(C)(C)OC(=O)NCc1ccc(OC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1 802955448 RZMKOPJLMUUELD-UHFFFAOYSA-N 438.440 4.024 5 20 IIBD O=[N+]([O-])c1ccc(N2CCCCC2)c(-c2nc(-c3cccnc3OCC(F)F)no2)c1 809448776 QBNIGJAMXDGXHW-UHFFFAOYSA-N 431.399 4.341 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811219030 JKPOQWURQRJJSQ-INIZCTEOSA-N 433.486 4.161 5 20 IIBD C[C@H](NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1)c1cccc([N+](=O)[O-])c1 813591514 YTXBGLBMLIHTGS-DOTOQJQBSA-N 432.521 4.277 5 20 IIBD O=C(CNc1ccccc1[N+](=O)[O-])N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 814247666 QPOKVNBXZJYFOO-UHFFFAOYSA-N 445.519 4.181 5 20 IIBD O=C(N[C@H](c1ccccc1)[C@@H](O)c1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 816794179 DKRUUQDOUQAOOV-RPWUZVMVSA-N 431.492 4.400 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@H](C)[C@@H]2OCCc3sccc32)CC1 817052162 WJZBWMGUEKZYKI-VFNWGFHPSA-N 429.542 4.325 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1-c1cccs1)N1CCc2ccc([N+](=O)[O-])cc21 857831869 CVKCQWAYIQBELV-UHFFFAOYSA-N 425.422 4.200 5 20 IIBD Cc1cc(NCc2ccc(CS(=O)(=O)NC(C)C)cc2)c([N+](=O)[O-])cc1C(F)(F)F 863999543 DUXHAJIZVZEUCJ-UHFFFAOYSA-N 445.463 4.362 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N(Cc1cc(Br)ccc1F)C1CC1 914438018 QKTFHJQBORPUHU-UHFFFAOYSA-N 438.209 4.209 5 20 IIBD O=C(NS(=O)(=O)c1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 916757005 IPMDGUYFQBMYSK-UHFFFAOYSA-N 432.454 4.004 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)Cc2coc3ccc4ccccc4c23)cc([N+](=O)[O-])c1C 916773788 UWOAOYBEYVSGLJ-UHFFFAOYSA-N 438.461 4.159 5 20 IIBD CC1=C(C(=O)Nc2ccc(C)cc2Cl)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1C 917376084 ICWZALZNMQRGGK-GOSISDBHSA-N 430.917 4.330 5 20 IIBD Cc1cc(=O)c(C(=O)Nc2ccccc2NC2CCCCC2)nn1-c1ccccc1[N+](=O)[O-] 917515202 NOQYGYRVIPHHQZ-UHFFFAOYSA-N 447.495 4.446 5 20 IIBD Cc1ccc(-c2csc(NC(=O)CCOc3ccccc3[N+](=O)[O-])n2)cc1[N+](=O)[O-] 917628110 ATXJJNLAQPZJIL-UHFFFAOYSA-N 428.426 4.343 5 20 IIBD Cc1cc(OS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)ccc1[N+](=O)[O-] 919927155 BERCAPYOYWUQMR-UHFFFAOYSA-N 430.413 4.062 5 20 IIBD COc1ccc(Cn2ncc(C)c2NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1OC 920242706 JQEGXNJDSAALHU-UHFFFAOYSA-N 430.848 4.071 5 20 IIBD CSc1ccc(C(=O)OCc2csc(CC(=O)Nc3ccccc3)n2)cc1[N+](=O)[O-] 920493593 RZLIYASZZOCERH-UHFFFAOYSA-N 443.506 4.311 5 20 IIBD COc1ccc([C@H](NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c2ccc(OC)cc2OC)cc1 1318368562 DSLZFCOXRNUCEP-QHCPKHFHSA-N 436.464 4.448 5 20 IIBD O=[N+]([O-])c1ccccc1OCc1nnc(-c2cccc(-n3ccc(C(F)(F)F)n3)c2)o1 1341399281 UUPXARYFZMJHNU-UHFFFAOYSA-N 431.330 4.428 5 20 IIBD COc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])[nH]4)cc3)CCC2)ccc1C 1790187195 DOARCUGNXAZDDD-UHFFFAOYSA-N 448.479 4.301 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C2CC2)cc1)c1cc(F)cc([N+](=O)[O-])c1 1800730164 KIIRIUAFWQWDLR-WKCHPHFGSA-N 437.471 4.177 5 20 IIBD Cc1cc(F)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccccc2[N+](=O)[O-])c1 1804345430 KQYJMJWHOYSARP-QLBCPNMBSA-N 437.471 4.008 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CC=CCC2)[nH]n1)c1cc(F)cc([N+](=O)[O-])c1 1821167469 SPUKVRNJEUBPES-IFXJQAMLSA-N 441.463 4.119 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(F)c2[N+](=O)[O-])CC1 1824347149 QFFIALDVGHGPTE-OXJNMPFZSA-N 433.524 4.403 5 20 IIBD CCc1cccc(C)c1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 9719930 YXODCWGMRGBDON-UHFFFAOYSA-N 439.512 4.497 5 20 IIBD CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1C 10361235 RZCHXLHQGFEFHK-UHFFFAOYSA-N 427.844 4.463 5 20 IIBD Cc1cc(C)n(-c2ccc(C(=O)O[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)n1 17653231 QIGAUODUIVCQPE-OAHLLOKOSA-N 433.424 4.365 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])s1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 21249184 IPHJRXHZIDPPRR-LJQANCHMSA-N 430.869 4.372 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](Oc1cccnc1[N+](=O)[O-])c1ccccc1 22027537 WHYAMFGECKOITN-KRWDZBQOSA-N 428.788 4.310 5 20 IIBD CCn1cnnc1-c1cccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 25286819 PTGVNRQMULUBKA-UHFFFAOYSA-N 434.500 4.362 5 20 IIBD O=C(NCCCCOc1ccc(Cl)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 28732639 QCXCOXVFMDSQRZ-UHFFFAOYSA-N 431.920 4.440 5 20 IIBD COc1ccc(C(=O)C2CCN(C(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 64419355 WTEZDKLDWUNYCB-AWEZNQCLSA-N 446.887 4.146 5 20 IIBD Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 64895498 JJTRYLWSLGIWOJ-UHFFFAOYSA-N 437.525 4.031 5 20 IIBD CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 65127724 ZGKCTJAAUUUBLJ-UHFFFAOYSA-N 428.489 4.061 5 20 IIBD O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N(Cc1cccs1)Cc1cccs1 78721110 YKYDWYNBWTUSEY-UHFFFAOYSA-N 425.495 4.141 5 20 IIBD O=C(Nc1nc2ccc(OCC(F)(F)F)cc2s1)c1n[nH]c2ccc([N+](=O)[O-])cc12 97261188 PTZVIKKAPYKXBG-UHFFFAOYSA-N 437.359 4.274 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCC2(c3ccccc3)CCOCC2)CC1 106231586 KYXRZSWVLALCBD-UHFFFAOYSA-N 437.540 4.309 5 20 IIBD CC(C)c1nccn1Cc1cccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1 108216103 XKKPGGVVVZDJJD-UHFFFAOYSA-N 430.468 4.401 5 20 IIBD CC(C)(C)c1cc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)n(C(C)(C)C)n1 110561864 JAIRDLUSSAJEDF-UHFFFAOYSA-N 443.504 4.171 5 20 IIBD O=C(c1cc(N2CCc3c(Br)ccc(F)c3C2)ccc1[N+](=O)[O-])N1CCCC1 302158594 XJHDGHXAIMBPIY-UHFFFAOYSA-N 448.292 4.295 5 20 IIBD CC(C)CCSc1ccc(C(=O)NCC2(N3CCCCC3)CCOCC2)cc1[N+](=O)[O-] 303541005 UKYXMXLRHPYAJF-UHFFFAOYSA-N 449.617 4.498 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCSC[C@H]1c1ccc(Cl)cc1 303689853 MIQYALCDWXUICY-IBGZPJMESA-N 428.901 4.364 5 20 IIBD CCN(C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H](COC)Cc1ccccc1 426280191 YIKYTDSYKLYSGC-IBGZPJMESA-N 439.434 4.403 5 20 IIBD COCCN1C(=O)CCc2cc(NC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)ccc21 426296131 WXRABYFFZWMBSJ-UHFFFAOYSA-N 425.485 4.070 5 20 IIBD CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](c1ccc(Cl)cc1)c1cnccn1 426865004 SQCXQBLLPHMZEC-HXUWFJFHSA-N 436.859 4.310 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1)c1ccc(C(F)(F)F)cc1 427086858 DUORDXHPBIWTOD-JTQLQIEISA-N 437.403 4.374 5 20 IIBD Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 430403338 GUELVPDLPJEBRO-HZPDHXFCSA-N 439.512 4.347 5 20 IIBD O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 435815398 FEVWFEPZXSFQND-FQEVSTJZSA-N 433.483 4.370 5 20 IIBD COc1ccc(-c2ccc(CNCC3CCN(CC(F)(F)F)CC3)o2)c([N+](=O)[O-])c1 436404543 DUJCVOHDBLRFQB-UHFFFAOYSA-N 427.423 4.227 5 20 IIBD O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3nc(C4CCCCC4)no3)c(O)c2)c1 436893158 ODLMPXCXJIGLQZ-UHFFFAOYSA-N 444.469 4.199 5 20 IIBD Cc1ccccc1-c1cc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n(CCO)n1 437261070 SINKIPAAPBIBIZ-UHFFFAOYSA-N 434.374 4.030 5 20 IIBD CC(C)c1nnc2ccc(NC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)cn12 438513427 ZILCGTVNPRCSQH-UHFFFAOYSA-N 433.418 4.378 5 20 IIBD COc1ccc2c(c1)CCN(C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)CC2 439376107 ZGFXCBAXGFGEKW-UHFFFAOYSA-N 431.492 4.457 5 20 IIBD CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H]2CCCC[C@@H]12 439989025 PPHPCWYCSPSMHK-LGLZLGMKSA-N 444.576 4.026 5 20 IIBD CCNC(=O)N1CCc2ccc(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)cc21 444089901 QJMXNPLVNMIFEG-UHFFFAOYSA-N 426.476 4.026 5 20 IIBD COc1ccc(S[C@@H](C)c2nc(Cc3cc(OC)cc(OC)c3[N+](=O)[O-])no2)cc1 445823194 BFTDTWLHWNRIDK-LBPRGKRZSA-N 431.470 4.448 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H]1c2ccccc2CC12CCOCC2 461030856 RUNBEJWPXRCPPV-MHZLTWQESA-N 438.527 4.365 5 20 IIBD COc1cc(C)c(Br)cc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 462591597 JNOTZMSTFLESEP-UHFFFAOYSA-N 431.246 4.112 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C[S@@](=O)C2CCOCC2)c1 462640484 QJYGVCMBBIOULG-FZYZMVIOSA-N 444.553 4.230 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N[C@@H](C)CCc2cccn2C)c([N+](=O)[O-])c1 462914757 ZGKYPEFUVAKAII-INIZCTEOSA-N 435.480 4.384 5 20 IIBD CN(CC(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1)c1ccccc1[N+](=O)[O-] 463726238 FDQISAPSPYIYPJ-PMERELPUSA-N 429.542 4.251 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@H](n2cccn2)Cc2ccccc21 464422797 SGXIDLWEJJUCSQ-RHSMWYFYSA-N 426.860 4.043 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1 464721837 ZVDWRJUDZLRUNP-UHFFFAOYSA-N 441.871 4.304 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C)c(NC(=O)CCN(C)C)c1 466242679 FSVBBFWAIUNANF-SFHVURJKSA-N 426.517 4.001 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)S(=O)(=O)c1cccc(C(F)(F)F)c1 468406846 YWFCTTLXSYZZQU-VIFPVBQESA-N 436.795 4.068 5 20 IIBD NC(=O)[C@H]1CCC[C@H](C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)C1 469379689 UCEMREOFAWTEKE-KBPBESRZSA-N 449.866 4.088 5 20 IIBD O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1 472699951 QFWDOLIEZUDROX-HNNXBMFYSA-N 432.445 4.092 5 20 IIBD O=C(CCc1nc(C2CCCC2)no1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 474639143 LGTLIQABMHFGSS-UHFFFAOYSA-N 426.395 4.159 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 475641180 RJJAYAIWFARLJE-FQEVSTJZSA-N 432.908 4.060 5 20 IIBD CC(C)(CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc2c(c1)OCCO2 477788142 ITQKPVQQRBCWFE-UHFFFAOYSA-N 442.515 4.020 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccc([S@](C)=O)c(F)c2)cc1[N+](=O)[O-])c1ccccn1 477789727 LRKFLBIKPVYKCB-FYKVGYICSA-N 442.472 4.292 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2cccc([N+](=O)[O-])c2C)nc1 477950560 JFPXHXXWEGHZFD-UHFFFAOYSA-N 426.498 4.126 5 20 IIBD CCN(C)C[C@H]1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)C1 479965174 VXMJIELUHBWUBV-OAHLLOKOSA-N 447.919 4.463 5 20 IIBD Cc1ccc(NC(=O)C(C)(C)C)cc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 481087396 FTCZAHMKHGWCPT-UHFFFAOYSA-N 425.894 4.342 5 20 IIBD Cc1c(CNC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)cccc1[N+](=O)[O-] 481478217 YNUKUHFCXBTYMN-GOSISDBHSA-N 436.295 4.131 5 20 IIBD CCCOc1cc(NC(=O)c2cc(C)nc3c2cnn3C)c([N+](=O)[O-])cc1OCCC 481769924 RKLNWGUECKZIJU-UHFFFAOYSA-N 427.461 4.015 5 20 IIBD Cc1ccc(-c2cccnc2)cc1NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 484317801 XEZUVTHDGXJTPV-UHFFFAOYSA-N 430.464 4.095 5 20 IIBD CSc1cccc(C(=O)Nc2ccc(Cc3nnc4n3CCCCC4)cc2)c1[N+](=O)[O-] 485516545 NQHACXUIYKOYSE-UHFFFAOYSA-N 437.525 4.478 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c1 486741795 MRQXQSDIOUJKTJ-AWEZNQCLSA-N 436.493 4.455 5 20 IIBD CC[C@H](C)NC(=O)c1ccc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 488396864 MGGFZYZBJRCQFC-LBPRGKRZSA-N 438.406 4.464 5 20 IIBD Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 488971858 KXPRHGUAAODIKA-HNNXBMFYSA-N 425.304 4.192 5 20 IIBD CC(C)(C)S(=O)(=O)Cc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 497778172 FDIXAVZMTZCCSZ-UHFFFAOYSA-N 445.541 4.161 5 20 IIBD COc1ccc(C(=O)N[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1[N+](=O)[O-] 499537884 JZYFFWLDAWWRCZ-LJQANCHMSA-N 434.427 4.264 5 20 IIBD COc1cc(C(=O)N2CCN(C3CCC3)CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 499623522 VKPLWPNMYKQTLD-UHFFFAOYSA-N 445.903 4.359 5 20 IIBD Cc1cc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1S(C)(=O)=O 500312307 QHAPKWHTQUYFEP-UHFFFAOYSA-N 448.444 4.056 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2ccccc2OC2CCCC2)cc1[N+](=O)[O-] 502614674 AQTWFHHTIIPKLC-UHFFFAOYSA-N 439.497 4.448 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1cc(C(F)(F)F)ccc1-n1cccn1 505084984 HSQIMPCSTLUELF-UHFFFAOYSA-N 434.378 4.033 5 20 IIBD CCCC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C)C(=O)Nc1cccc(N2CCCC2)c1 505548563 CNTNCBAWUNMNCP-QFIPXVFZSA-N 438.528 4.431 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1cc(-c2ccccc2)no1 505648239 NMHOIYBGCRAGNZ-UHFFFAOYSA-N 449.389 4.180 5 20 IIBD O=C(Nc1ccccn1)c1cccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 505759803 GNNZUNKBVMDZOU-UHFFFAOYSA-N 445.479 4.097 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 506535479 ZZMARUDLQOYBFC-UHFFFAOYSA-N 446.463 4.128 5 20 IIBD NC(=O)c1ccc(SCc2nc(-c3ccc(F)cc3C(F)(F)F)no2)c([N+](=O)[O-])c1 508041500 OXXJEXHGSYSYLZ-UHFFFAOYSA-N 442.350 4.194 5 20 IIBD COc1cc(C(=O)Nc2c(-c3ccc(Br)cc3)ncn2C)ccc1[N+](=O)[O-] 508399045 OOEWXGVRXXEWRS-UHFFFAOYSA-N 431.246 4.019 5 20 IIBD COc1cc(CN(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c([N+](=O)[O-])cc1OC 509378197 IOLBIXDQTAXFBU-QFBILLFUSA-N 427.284 4.009 5 20 IIBD CCN1CCN([C@@H](C)CNCc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 509594889 WDMMXUWAIRQLSU-IBGZPJMESA-N 428.602 4.170 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@@H](c3ccnn3C)C2)cc1 512584655 WZQXYBFNPZSIQL-MRXNPFEDSA-N 436.468 4.149 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCCc3cccnc3)c([N+](=O)[O-])c2)c(C)c1 513082726 MQJDDSFGRREIRN-UHFFFAOYSA-N 426.498 4.062 5 20 IIBD O=C1CCCN1C1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 513740990 CHGNGOPIURUPGL-UHFFFAOYSA-N 445.523 4.034 5 20 IIBD O=C(NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)Nc1ccc([N+](=O)[O-])cc1F 515931538 JZXKVLRKEKDGMA-UHFFFAOYSA-N 439.325 4.210 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(C3(c4ccc(F)cc4F)CCCC3)no2)ccc1-n1cncn1 517435184 JJPNNUKKWKOUJE-UHFFFAOYSA-N 438.394 4.364 5 20 IIBD CS(=O)(=O)c1cc(C(=O)N(Cc2ccc(Cl)cc2)c2ccccc2)cc([N+](=O)[O-])c1 517730650 WNYFPDDHLSGLOK-UHFFFAOYSA-N 444.896 4.499 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 520017572 PCNJHKISFYJEDV-ILBGXUMGSA-N 430.479 4.330 5 20 IIBD CC(C)(C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)n1cc([N+](=O)[O-])cn1 522479427 YGPQDVSUYSKZLU-UHFFFAOYSA-N 430.411 4.357 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c(F)c1 522715153 XQYXUZPYXBKKGC-ZDUSSCGKSA-N 433.461 4.101 5 20 IIBD O=C(NC1(c2cccc(Br)c2)CCOCC1)c1cc(Cl)cc([N+](=O)[O-])c1 522895331 HFMGLNQAJUQIPA-UHFFFAOYSA-N 439.693 4.446 5 20 IIBD CCc1ccc([C@H]2CCCCCN2C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])o1 523526830 WIBZOUQVHTZIKJ-MRXNPFEDSA-N 433.892 4.277 5 20 IIBD C[C@@H](c1ccc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCOCC1 523949949 HEILCGASZGDSGR-HNNXBMFYSA-N 433.892 4.049 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCN(c2cc(C(F)(F)F)ccn2)CC1 527010422 WHGZWGHUUDAQLX-UHFFFAOYSA-N 436.415 4.186 5 20 IIBD O=C(c1cccc(F)c1I)N(Cc1ccccc1[N+](=O)[O-])C1CC1 533536440 QNBYHVIWTDIVFC-UHFFFAOYSA-N 440.212 4.143 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(C)n1[C@@H]1CCC[C@H](C)C1 533887729 FZIQMNHZWMGOEB-KCQAQPDRSA-N 433.534 4.374 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CN3CCN(Cc4nc5ccccc5s4)CC3)co2)cc1 534096541 KZZSJFZAOTUSME-UHFFFAOYSA-N 435.509 4.177 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc([C@@H]2C[C@H]3CC[C@H]2C3)[nH]n1 534256746 SXMBKAFLFKQAGJ-KCQAQPDRSA-N 444.513 4.129 5 20 IIBD COc1ccc(CN(C)C(=O)CSCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1F 535509082 UFGNYQDJJXGVAO-UHFFFAOYSA-N 445.472 4.289 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cnc(-c3ccccc3)s2)ccc1[N+](=O)[O-] 535788573 PMNWZVXOLDKSFV-GOSISDBHSA-N 436.493 4.270 5 20 IIBD COc1ccc(C(NC(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)c2ccc(OC)cc2)cc1 538175157 KQHPAMYKCAPIQP-QGZVFWFLSA-N 449.507 4.168 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2cc3cc(Br)ccc3[nH]2)c1 538421545 NTSKBXFOYCDYJS-UHFFFAOYSA-N 432.274 4.232 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3cccc(CCN4CCCC4)c3)cc2)c(C)c1[N+](=O)[O-] 538800629 WKQDHIIMUMADPA-UHFFFAOYSA-N 447.539 4.347 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N[C@@H]2CCO[C@H](C(C)C)C2)c([N+](=O)[O-])c1 540038111 QFVBJJMOSBNCCN-IERDGZPVSA-N 426.469 4.228 5 20 IIBD COc1cc([C@H](C)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 540350950 FOSHALQKNLUCEW-SFHVURJKSA-N 449.507 4.496 5 20 IIBD Cc1c(Br)cc(C(=O)Nc2nc3c(s2)CN(C(C)C)CC3)cc1[N+](=O)[O-] 542200908 PUCJHPBGFQSFLH-UHFFFAOYSA-N 439.335 4.141 5 20 IIBD Cc1c([N+](=O)[O-])cnc(NCCc2nc3ccccc3n2C(F)F)c1Br 543436610 SDENIGWIQZYRRD-UHFFFAOYSA-N 426.221 4.460 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 545195280 ITBJCUAGEZXMSC-LJQANCHMSA-N 435.524 4.247 5 20 IIBD COc1cc(Cc2noc(-c3ccc(SCc4nc(C)no4)cc3)n2)ccc1[N+](=O)[O-] 545787617 BUDYULDOIFFKBK-UHFFFAOYSA-N 439.453 4.228 5 20 IIBD CC[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[C@H](c1ccc(C)cc1)n1cncn1 545831485 BVHACEAYHZOYBE-SFTDATJTSA-N 439.491 4.096 5 20 IIBD CC(C)(C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])cc1F 545873289 QFOVWZMGEJPXSM-UHFFFAOYSA-N 433.911 4.446 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 546068706 FORMMJRGSCRENG-CQSZACIVSA-N 442.337 4.337 5 20 IIBD CN(CC1(c2ccccc2)CC1)C(=O)c1cc(I)cc([N+](=O)[O-])c1 548383560 CBXWDKBKUIPCHR-UHFFFAOYSA-N 436.249 4.003 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C 550289936 VKCLGVMADCJJCG-VLIAUNLRSA-N 446.345 4.306 5 20 IIBD COc1nc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2s1 551115020 TULUKMPIMGTJLF-UHFFFAOYSA-N 433.389 4.033 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc2ccccc2n(C)c1=O 553299980 HPBJCBDEPLPWBC-UHFFFAOYSA-N 425.510 4.269 5 20 IIBD COc1ccccc1[C@@H](CN[C@@H](c1cccc([N+](=O)[O-])c1)c1nccn1C)N1CCCCC1 556862891 HMHBIKOUAMJYQR-VWNXMTODSA-N 449.555 4.243 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 557076500 HDXDVRJYNRQQOV-UHFFFAOYSA-N 429.274 4.062 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC2(CCN(Cc3ccccc3)CC2)C1 558306983 UMOPPGZQCJMZJD-UHFFFAOYSA-N 436.556 4.302 5 20 IIBD CCCOc1ccc(-c2nc(-c3c([N+](=O)[O-])ncn3C)no2)c(OCc2ccccc2)c1 561391525 VPCDTCRPKLNBLW-UHFFFAOYSA-N 435.440 4.413 5 20 IIBD COc1ccccc1-c1nc(C2CCN(C(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)CC2)no1 568708440 BLFYTDJHXZMPHZ-OAHLLOKOSA-N 436.468 4.163 5 20 IIBD CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCC(=O)c1ccc(F)c(Cl)c1 569767209 WRHLHZXQPXXTCH-UHFFFAOYSA-N 447.806 4.011 5 20 IIBD CC(C)c1[nH]nc(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c1[N+](=O)[O-] 572386018 ORSNFBOZVPTRFY-INIZCTEOSA-N 440.422 4.358 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2c2nc(-c3ccc(N(C)C)c(F)c3)no2)ccc1[N+](=O)[O-] 575364648 BBLHABDDXBPOEJ-IBGZPJMESA-N 439.447 4.136 5 20 IIBD Cc1nn(CCC(=O)N2CCCC[C@H]2Cc2ccccc2Br)c(C)c1[N+](=O)[O-] 583586912 OFVDCLALBZTXHB-KRWDZBQOSA-N 449.349 4.185 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CC(COc3ccccc3)C2)cc1[N+](=O)[O-])c1ccccn1 588804029 FTXKOGNGWZFDDP-KRWDZBQOSA-N 432.480 4.314 5 20 IIBD Cc1nn(C)c(Sc2ccccc2)c1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 589063356 LBKFWRJLRZRUPD-UHFFFAOYSA-N 435.509 4.242 5 20 IIBD COc1ccc(CNc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])cn1 590817460 AZANDBRMKGSWBW-UHFFFAOYSA-N 442.497 4.028 5 20 IIBD O=C(Nc1ccc(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1)c1ccc(F)cc1 604536863 YNXFAFXUVFEGFG-UHFFFAOYSA-N 437.427 4.047 5 20 IIBD Cc1cccc(Oc2ncccc2NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)c1C 608877280 XGDROLXHTRITDY-INIZCTEOSA-N 434.452 4.156 5 20 IIBD CC[C@H]1CN(c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])C[C@@H](C)O1 609513271 ZRIXZFFOTNYEHG-SJORKVTESA-N 433.530 4.016 5 20 IIBD O=C(CNc1ccccc1[N+](=O)[O-])N(Cc1cccs1)c1ccc2c(c1)OCCO2 609526117 UMUFMIMRIQBONX-UHFFFAOYSA-N 425.466 4.073 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(CSCc2ccccc2)c1 609720169 LINUPHDDAYMXIB-UHFFFAOYSA-N 435.505 4.283 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCc2c1cccc2[N+](=O)[O-] 609973355 FQULYMMRWABZKN-SNVBAGLBSA-N 425.666 4.367 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccccc1CN(C)C(=O)c1cccs1 609985398 WJFDQTGLDNGJPC-UHFFFAOYSA-N 445.522 4.038 5 20 IIBD Cc1cc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1C(=O)N(C)C 610122540 MYYOVHGPGXMMJV-UHFFFAOYSA-N 438.406 4.065 5 20 IIBD COc1ccc(OCCSc2nnc(Nc3ccccc3OC)s2)c([N+](=O)[O-])c1 610217013 CBMWHKRSBWOOTC-UHFFFAOYSA-N 434.499 4.378 5 20 IIBD O=[N+]([O-])c1ncccc1S(=O)(=O)N(Cc1ccccc1C(F)(F)F)C1CCCC1 610263078 RAJSFLHNWJYSPH-UHFFFAOYSA-N 429.420 4.142 5 20 IIBD Cc1cc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)ccc1C(F)(F)F 610367157 JBRITCATHMODNM-UHFFFAOYSA-N 437.403 4.454 5 20 IIBD CCOc1ccc(C(=O)N[C@@H](C(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)C(C)C)cc1 610555995 HIWRODMVCSNYMS-LEWJYISDSA-N 427.501 4.015 5 20 IIBD CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 611768636 FLUJZFUVJIPYHB-INIZCTEOSA-N 427.354 4.146 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1 616118467 RBGCTGQUNWCRSO-UHFFFAOYSA-N 432.480 4.355 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 725790500 IOSZKNXUBIOQPB-MRXNPFEDSA-N 425.485 4.177 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2cc(C(=O)N3CCCCC3)ccc2Cl)cc1[N+](=O)[O-] 726926108 PUKIDZDGVVEDFN-UHFFFAOYSA-N 446.847 4.343 5 20 IIBD C[C@H](Oc1ccccc1C(F)(F)F)C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 727203833 PUUGWWAXEBEQAF-JTQLQIEISA-N 446.765 4.216 5 20 IIBD COc1cc(C(=O)O[C@H]2C(=O)OCC2(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 727775562 KDIWQULIDHZGOW-KRWDZBQOSA-N 435.816 4.158 5 20 IIBD C[C@H](OC(=O)c1ccc2c(c1)CCCN2)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 727896397 LCFHPFIJOVMGLP-NSHDSACASA-N 437.374 4.156 5 20 IIBD C[C@@H](OC(=O)Cc1ccccc1Br)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 729731506 ZDYCSIZGKBHQPD-LLVKDONJSA-N 432.230 4.254 5 20 IIBD Cc1cc(C(=O)N(C)c2ccccc2C(=O)N(C)CCc2ccccc2)ccc1[N+](=O)[O-] 731881452 DCLMASSEEXWLRS-UHFFFAOYSA-N 431.492 4.495 5 20 IIBD CCc1nc(CN2CCC(CNC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC2)cs1 732414469 LGKDOYFEFDQTON-UHFFFAOYSA-N 437.953 4.301 5 20 IIBD O=C(NS(=O)(=O)c1cc([N+](=O)[O-])cs1)c1cc(-c2cccs2)nc2ccccc12 732621141 GVLXLEDDNCQHDZ-UHFFFAOYSA-N 445.503 4.052 5 20 IIBD CCc1nc(COC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)no1 733409451 LCTHMRWTPOPRHM-UHFFFAOYSA-N 433.804 4.352 5 20 IIBD CCCCn1c(=O)c(CCC(=O)OCc2cc([N+](=O)[O-])ccc2Cl)nc2ccccc21 734780132 BKCMECNXNHCHDO-UHFFFAOYSA-N 443.887 4.434 5 20 IIBD Cc1ccc(NC(=O)COC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1Cl 735150189 ZVUUMFFQEMBSKE-UHFFFAOYSA-N 427.240 4.161 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 736072173 ARIXQECQUJVHBO-SFHVURJKSA-N 437.924 4.500 5 20 IIBD CCc1ccc(NC(=O)c2nnc(COC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)s2)cc1 736866765 OQAYXUKSXPAKEN-UHFFFAOYSA-N 446.872 4.271 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(C(=O)c2cc3occc3s2)CC1 741385887 NJWNKOJZCPAMFZ-UHFFFAOYSA-N 434.861 4.046 5 20 IIBD CC(C)(C)OC(=O)N(CC(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1)C[C@H]1CCCO1 741926174 ZLFSISCHZHTPCV-HXUWFJFHSA-N 447.532 4.287 5 20 IIBD COc1ccc(CC(=O)N2CCCN(C(=O)OC(C)(C)C)c3ccccc32)cc1[N+](=O)[O-] 741953883 JRSTVQVUVYOSHR-UHFFFAOYSA-N 441.484 4.324 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2ccccc2NC(=O)Cc2cccs2)cc1[N+](=O)[O-] 742030422 ZNADRRQCBLHWCX-UHFFFAOYSA-N 449.485 4.086 5 20 IIBD O=C(c1nn(-c2ccc(F)cc2)ccc1=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 743789563 OPVPYCYDFVQNJN-UHFFFAOYSA-N 444.422 4.127 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2cccc3c4c([nH]c23)CCCC4)c([N+](=O)[O-])c1 744661013 HYVSIHRMRYLAPC-ZDUSSCGKSA-N 437.452 4.148 5 20 IIBD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1NC(=O)CC(C)C 745295320 HFZLEKQLXHDZGU-OAHLLOKOSA-N 427.457 4.072 5 20 IIBD O=C(COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(N2CCCC2)cc1 745568665 QGSXFLKSNDLORF-UHFFFAOYSA-N 437.374 4.009 5 20 IIBD O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1Cc2ccccc2[C@@H](c2ccccc2)C1 747076238 NQDNSEMSYNCFRN-XMMPIXPASA-N 438.487 4.424 5 20 IIBD C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@H](OC1CCOCC1)c1ccccc1 747416707 SMGLHUKFTXDPAU-VFNWGFHPSA-N 447.919 4.373 5 20 IIBD C[C@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 747958662 RTGTVYVEFWZMQL-AYMQEEERSA-N 431.514 4.205 5 20 IIBD O=C(N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1cccc(Cl)c1[N+](=O)[O-] 749990135 NUQSECBBWBJROZ-CQSZACIVSA-N 426.275 4.435 5 20 IIBD O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1 750094610 DMGUNAHXGPYELZ-VQIMIIECSA-N 428.876 4.211 5 20 IIBD Cn1c(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)nc2c(F)cccc21 750905426 PQNUXYRIQKKYTG-UHFFFAOYSA-N 427.617 4.289 5 20 IIBD Cc1c(C(=O)Nc2ccccc2Sc2nccn2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 751119615 BLEUFVHWSCHYKL-UHFFFAOYSA-N 427.442 4.257 5 20 IIBD O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1CCC[C@@]2(CCCc3ccccc32)C1 753166647 MRUQMCBYDVFYHL-VWLOTQADSA-N 430.508 4.146 5 20 IIBD COC(=O)c1ccc(C(=O)O[C@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])s1 753944989 IBUAUNFGNIIAMH-CQSZACIVSA-N 442.287 4.251 5 20 IIBD C[C@@H]1CCN(C(=O)COC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c2ccccc2S1 755063164 IOGNJYXWCLNORB-ZIAGYGMSSA-N 432.473 4.298 5 20 IIBD C[C@H](C(=O)OCc1nc(-c2cc(F)c(F)c(F)c2)no1)c1ccc([N+](=O)[O-])cc1F 755066845 HFUMINUPFCZBMN-QMMMGPOBSA-N 425.294 4.048 5 20 IIBD Cc1ccc(OC(=O)[C@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)cc1[N+](=O)[O-] 755249184 JYRCYWXHFJOQIB-LBPRGKRZSA-N 433.511 4.458 5 20 IIBD O=C(OC[C@@H]1CC12CCOCC2)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 758024284 OYVUDXFZOVZUBL-INIZCTEOSA-N 442.434 4.190 5 20 IIBD COc1ccc(CNc2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])c(F)c1 758474564 UKLIWWGJBMCUBL-UHFFFAOYSA-N 430.186 4.034 5 20 IIBD O=C(/C=C/c1ccc(Cl)nc1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 758981668 HVZRXCTWOOGWGN-QHHAFSJGSA-N 440.809 4.024 5 20 IIBD C[C@@H](Cc1nc(Cc2ccccc2[N+](=O)[O-])no1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 761343557 IKKNSADTUWHRHL-RDJZCZTQSA-N 430.505 4.394 5 20 IIBD Cc1cc(-c2noc([C@H](C)OC(=O)c3cc([N+](=O)[O-])c4nsnc4c3)n2)ccc1F 762965652 CXDJFNAZEBVWCQ-VIFPVBQESA-N 429.389 4.015 5 20 IIBD CCOc1ccc([C@H]2CCCN2C(=O)COC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 763409436 ZXYWTTACNDLVOC-IIBYNOLFSA-N 426.469 4.004 5 20 IIBD COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cc1[N+](=O)[O-] 763960354 SUEMNYXVAFGMRE-UHFFFAOYSA-N 431.470 4.476 5 20 IIBD CC(C)N1CCC[C@@H](OC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 764492040 QAQCPMJOUFWUNQ-LJQANCHMSA-N 444.871 4.035 5 20 IIBD Cc1ccccc1-c1nnc(C)n1-c1ccc(OC(=O)COc2cccc([N+](=O)[O-])c2)cc1 766561067 RIJHAIXVFSSSDI-UHFFFAOYSA-N 444.447 4.444 5 20 IIBD CCCN(CCc1cccs1)C(=O)c1ccc(I)c([N+](=O)[O-])c1 766656763 SDHXBKMDWIUPEN-UHFFFAOYSA-N 444.294 4.356 5 20 IIBD CC1=C(C(=O)N(C)C)[C@H](c2ccccc2[N+](=O)[O-])NC(=S)N1c1ccc(Cl)cc1F 767142687 USSZGYDRJXIPDD-SFHVURJKSA-N 448.907 4.185 5 20 IIBD COc1cc(CN2CCC(O)(c3ccccc3)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F 768530540 JWKQERVATXSQFE-UHFFFAOYSA-N 440.418 4.028 5 20 IIBD CN(CCC1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1)C(=O)OC(C)(C)C 769759699 JQMSOBRNHTWTGF-UHFFFAOYSA-N 444.532 4.045 5 20 IIBD CN(CCC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1)C(=O)OC(C)(C)C 770230073 ZYEJDXTUWMVZHH-UHFFFAOYSA-N 439.940 4.286 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 770273100 YYRMEZZAKKUHTE-UHFFFAOYSA-N 443.332 4.444 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2cc([C@H](O)c3ccccn3)ccc2C)cc1SC 773615934 UAVKWDPRQGPUPO-NRFANRHFSA-N 439.493 4.363 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCc2ncc(NC(=O)Nc3cccc([N+](=O)[O-])c3)cc2C1 776970691 UPGYDEOIGCDTLZ-HNNXBMFYSA-N 427.461 4.016 5 20 IIBD CCc1ccccc1NC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc([N+](=O)[O-])cc1F 777941174 CNNJTJINOBMFGW-IBGZPJMESA-N 428.489 4.070 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 779018912 MWTFOQDZZUXOLO-GJZGRUSLSA-N 437.562 4.471 5 20 IIBD COc1cc(COC(=O)c2ccc(-c3cnco3)cc2)c([N+](=O)[O-])cc1OCC(F)F 780063842 DDDAHOQXFZFYSW-UHFFFAOYSA-N 434.351 4.259 5 20 IIBD CC1(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCN(C(=O)OC(C)(C)C)CC1 781017201 SAAOCHUOUKBTIY-UHFFFAOYSA-N 449.551 4.448 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NOCc2ccc(F)cc2Br)cc1SC 781118945 NKYAYTLHLJLJMV-UHFFFAOYSA-N 445.266 4.089 5 20 IIBD Cc1c(C(=O)N[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)cc([N+](=O)[O-])cc1[N+](=O)[O-] 781203030 METGZSACTDOWKE-AWEZNQCLSA-N 449.288 4.446 5 20 IIBD Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c(N2CCCC2)n1 781385823 FMPGUYLLXWQJBD-UHFFFAOYSA-N 437.544 4.065 5 20 IIBD Cc1cccc2nc(C3CCN(C(=O)C(=O)Nc4cc([N+](=O)[O-])ccc4Cl)CC3)oc12 782165565 ISTGJFGJEVLGDE-UHFFFAOYSA-N 442.859 4.043 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc(N2CCCCCCC2)c(F)c1 782505083 WRNUUXLGXQKPAT-UHFFFAOYSA-N 442.447 4.051 5 20 IIBD COc1ccc([C@@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c2ccccc2)cc1 783290265 NGOCEERCHJQXMY-FQEVSTJZSA-N 439.855 4.101 5 20 IIBD C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 784082082 FHWYCPZJUTXCSJ-OLZOCXBDSA-N 443.953 4.102 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCCC[C@@H]1c1nc2ccccc2o1 785116970 JAZLWKCQWCKNIF-MRXNPFEDSA-N 428.832 4.082 5 20 IIBD CC(C)[C@H](OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1Cl 785678894 RAZPGQFFPFQRIX-IBGZPJMESA-N 442.859 4.254 5 20 IIBD CCc1nc(C)c([C@@H](C)N(C)C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)s1 792992354 JPMFLQFBTUBWHV-CYBMUJFWSA-N 432.546 4.378 5 20 IIBD COC(=O)c1nc([C@H]2CCCN2c2ccc([N+](=O)[O-])cc2Br)sc1C 795201608 XIGVORSKKRPWFO-CYBMUJFWSA-N 426.292 4.250 5 20 IIBD Cc1ccc(NC(=O)C(C)(C)C)cc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F 795317096 QAARAXXRAULXGW-UHFFFAOYSA-N 443.884 4.481 5 20 IIBD CCc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] 795935818 OUWYCPQIYNIHGF-UHFFFAOYSA-N 429.816 4.261 5 20 IIBD O=[N+]([O-])c1cc(F)c(CN2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)c(F)c1 796017217 VQFQCVRLOSXIRK-UHFFFAOYSA-N 432.345 4.255 5 20 IIBD CCCc1[nH]nc(C(=O)O[C@@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)c1[N+](=O)[O-] 796264877 DPVFNZBHNFGEPP-MRXNPFEDSA-N 442.394 4.109 5 20 IIBD COc1c(C(=O)O[C@@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)cccc1[N+](=O)[O-] 796307141 OEWUEIWRVGXJFW-HNNXBMFYSA-N 426.425 4.091 5 20 IIBD C[C@H](OC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Br)cc1 796441569 AUSOHQSEMGOYIW-LBPRGKRZSA-N 435.274 4.205 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1 798523371 JJIFHQFWFWBACM-ZHRRBRCNSA-N 431.920 4.044 5 20 IIBD O=[N+]([O-])c1ccc(Cl)c(NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)c1 800930244 IEZZUIVUAFBCAA-LLVKDONJSA-N 447.296 4.118 5 20 IIBD COc1ccccc1[C@H]1CC[C@@H](C)CN1C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 804323462 SVMXSNDQHSLQOR-DNVCBOLYSA-N 427.457 4.444 5 20 IIBD C[C@@H](C(=O)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])n1ccc2ccccc2c1=O 805910597 VHUFROMUKHWGSE-AOMKIAJQSA-N 429.432 4.199 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@](C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)(C(F)(F)F)C1 808070656 TYXLRJMMRMQSMR-MRXNPFEDSA-N 439.337 4.001 5 20 IIBD COCc1ccccc1-c1noc(CN(C)c2cc(Br)ccc2[N+](=O)[O-])n1 809325734 YGQZZYJWDKPZMR-UHFFFAOYSA-N 433.262 4.190 5 20 IIBD CSc1nc(C)c(CCC(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c(O)n1 811086319 SSRUHGSMIXUKDI-UHFFFAOYSA-N 432.285 4.104 5 20 IIBD CC(C)(C)OC(=O)NCCC[C@@H](NC(=O)c1ccc(O)c([N+](=O)[O-])c1)c1ccccc1 812396838 CUJVRBKSHLLSKK-QGZVFWFLSA-N 429.473 4.076 5 20 IIBD CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F 814484854 NCMXXCXTCJXRAV-UONOGXRCSA-N 431.464 4.497 5 20 IIBD O=C(NCCCNc1ncnc2ccc([N+](=O)[O-])cc12)[C@@H](OC1CCCC1)c1ccccc1 816448772 KRKMDIFLQPGUQW-QFIPXVFZSA-N 449.511 4.157 5 20 IIBD Cc1ncoc1-c1noc(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n1 820907542 SAJMCYRHQOQTIU-UHFFFAOYSA-N 428.408 4.385 5 20 IIBD COc1c([N+](=O)[O-])cc(N[C@@H](C)c2nc3ccccc3[nH]2)c([N+](=O)[O-])c1Br 836505160 HMYPQPPMCUVAEW-QMMMGPOBSA-N 436.222 4.324 5 20 IIBD Cc1c(NC(=O)CCCCCn2c(S)nc3ccccc3c2=O)cccc1[N+](=O)[O-] 843032228 RYHXMAHDGUIJKE-UHFFFAOYSA-N 426.498 4.101 5 20 IIBD CC(C)[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)N(C)c1ccccc1 878473035 QEQRZFHNTHETOP-SANMLTNESA-N 442.515 4.386 5 20 IIBD COc1cccc(-c2nc(/C=C3\N=C(c4ccc(OC)c([N+](=O)[O-])c4)OC3=O)cs2)c1 912754712 RYKWWWMNBICKHN-YBEGLDIGSA-N 437.433 4.080 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])cn1)O[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 913302208 QYPMHTUSIVCDOW-GOSISDBHSA-N 449.250 4.021 5 20 IIBD O=C1CCCN1c1ccc(CN=c2c([N+](=O)[O-])c[nH]c3ccc(Br)cc23)cc1 914570671 GFHJNXYGPMXALA-UHFFFAOYSA-N 441.285 4.066 5 20 IIBD Cc1c(C(=O)NCc2ccc(COCc3ccccc3)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 915299432 LDWUNZFAPGOYQH-UHFFFAOYSA-N 435.436 4.458 5 20 IIBD O=C(COC(=O)c1csc(Cc2ccccc2)n1)Nc1cc([N+](=O)[O-])ccc1Cl 915451729 NUXHOODVWAOAGZ-UHFFFAOYSA-N 431.857 4.091 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=S)N[C@H](C)c1ccccc1 915998332 XMPYAIVVYHJMNO-OAHLLOKOSA-N 425.514 4.491 5 20 IIBD CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1 916398846 RHQNSLVAHQQKJH-GFCCVEGCSA-N 434.290 4.272 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(OCCN(C)C)cc2)CC1 916501218 ATRKQDNLZPTXOW-UHFFFAOYSA-N 426.517 4.024 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cc2c(C)cc(C)nc2s1 917351130 SLHGXDRJLNSGTH-LBPRGKRZSA-N 429.454 4.014 5 20 IIBD CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=S)N1C 917378267 RZPKIZYBYNLHBA-QGZVFWFLSA-N 434.880 4.161 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NC(=O)OC(C)(C)C 917731021 HOPZKJLZOATEKJ-MRXNPFEDSA-N 449.891 4.253 5 20 IIBD Cc1ccc(C(=O)OCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cc1[N+](=O)[O-] 918844713 LAVZAAALFCJASK-QFIPXVFZSA-N 436.489 4.296 5 20 IIBD O=C(COC1CCCC1)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 919386184 NQCLGEMCJNGUJT-FQEVSTJZSA-N 432.860 4.430 5 20 IIBD C[C@H](OC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)c1ccccc1[N+](=O)[O-] 920266868 APTAIOTWIHCECL-LBPRGKRZSA-N 441.490 4.399 5 20 IIBD C[C@@H](OC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1 920778748 VJQQEFNZQMQAKX-GHMZBOCLSA-N 427.240 4.239 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1-c1nnc(CCN2CCN(c3ccccc3)CC2)o1 1117206505 YWEIQENZLRLASM-UHFFFAOYSA-N 447.417 4.028 5 20 IIBD O=C(c1ccccc1)N1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 1168896295 RRMKUQRVJMWCQI-HXUWFJFHSA-N 432.480 4.286 5 20 IIBD C[C@@H](COc1ccccc1F)NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1317967674 XKCTXBPMJSLXGI-NSHDSACASA-N 432.395 4.429 5 20 IIBD O=[N+]([O-])c1ccccc1OCc1nnc(-c2ccc(-c3noc(C(F)(F)F)n3)cc2)o1 1341397026 IJIWZDLUTJMTBF-UHFFFAOYSA-N 433.302 4.293 5 20 IIBD COC(C)(C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(C)c([N+](=O)[O-])c3)CCC2)cc1 1785894577 ZYCMCPVMZOPOBV-UHFFFAOYSA-N 439.512 4.005 5 20 IIBD C/C=C(/C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(OC)cc3[N+](=O)[O-])CCC2)cc1 1791227138 QVCYYGKYXQMJGV-XRVIQIRUSA-N 437.496 4.246 5 20 IIBD COc1cc(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)F)CCC3)cc2)ccc1[N+](=O)[O-] 1792163711 FNEUARIOVPBFMV-UHFFFAOYSA-N 429.448 4.099 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)ccc1F)c1cc(F)cc([N+](=O)[O-])c1 1792775516 YZFVWRNJUWFHLV-MUJYYYPQSA-N 449.841 4.092 5 20 IIBD CC(C)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(F)c2[N+](=O)[O-])n[nH]1 1821173952 AQLTUXDQSRHQMO-KRWDZBQOSA-N 431.468 4.199 5 20 IIBD C[C@@H](C(=O)N1CCCC12CN(C(=O)c1ccc([N+](=O)[O-])cc1F)C2)c1ccc(Cl)cc1 1841198945 IKKCNUZOFGEYET-CQSZACIVSA-N 445.878 4.008 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccncc1 9494557 SCKUCGDNGDXUDP-NSHDSACASA-N 432.893 4.041 5 20 IIBD CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(C)c(C)c3)o2)c([N+](=O)[O-])c1 10846456 SGLYORKKJZQHJZ-UHFFFAOYSA-N 428.470 4.391 5 20 IIBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cc(Br)ccc1Cl 10963635 KENSCLQAAJXTQE-UHFFFAOYSA-N 427.638 4.424 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2csc(-c3ccc(F)cc3)n2)c([N+](=O)[O-])c1 11272381 VPAKFUAZXNVXTR-LLVKDONJSA-N 445.428 4.050 5 20 IIBD O=C(Nc1ccccc1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccsc1 12717464 RXHHECINPJMZTH-UHFFFAOYSA-N 440.433 4.132 5 20 IIBD COc1cc(CCNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])cc1OC 16143869 NTJHYQYRKQYRPT-OAHLLOKOSA-N 430.501 4.036 5 20 IIBD C[C@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)Nc1ccc(N2CCCCC2)cc1 22047300 CMIZNSAVDRUYML-AWEZNQCLSA-N 431.876 4.423 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N[C@H]1CCSc2ccccc21 22805157 ILXKOIDBESMVDI-KRWDZBQOSA-N 433.555 4.418 5 20 IIBD COc1cc(C(=O)Nc2cccc(CN3CCCCC3)c2)c([N+](=O)[O-])cc1OC(F)F 27141468 XUYUDGNHROSOHE-UHFFFAOYSA-N 435.427 4.443 5 20 IIBD C[C@H]1CCCN(c2ccc(C(=O)Nc3cccc(C(=O)N4CCCC4)c3)cc2[N+](=O)[O-])C1 29263673 QAWZPISXMAHCHG-KRWDZBQOSA-N 436.512 4.319 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1cccc(CO)c1 61498520 MUNKKNIIQJGZSV-UHFFFAOYSA-N 428.448 4.121 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 61912258 BVYBQJATVBMQAS-FQEVSTJZSA-N 439.855 4.101 5 20 IIBD Cn1cc(C(=O)Nc2ncc(Cc3cccc(F)c3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 65054879 OBOHGJXBJRRIGJ-UHFFFAOYSA-N 437.456 4.434 5 20 IIBD O=[N+]([O-])c1cccc(Oc2nc(CN3CCOCC3)nc3sc4c(c23)CCCC4)c1 301060661 RKTHYATZHHSWAD-UHFFFAOYSA-N 426.498 4.103 5 20 IIBD O=c1c(Cl)c(NC[C@@H](c2ccccc2)N2CCCC2)cnn1-c1ccc([N+](=O)[O-])cc1 301172422 KJZKRMHJISIJHD-FQEVSTJZSA-N 439.903 4.043 5 20 IIBD CO[C@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1ccccc1Cl 301646989 DKZWZILAYYRPPX-QGZVFWFLSA-N 435.267 4.247 5 20 IIBD CC(C)COc1ccc(C(C)(C)C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 303822292 XWYLDLMMMUYUAI-SFHVURJKSA-N 426.517 4.015 5 20 IIBD COc1c(C(=O)Nc2ccc(Cl)cc2I)cccc1[N+](=O)[O-] 318627177 XWRALIZYJLHILF-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD CC(C)(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 425953979 XYXUHHXHFVBQGA-UHFFFAOYSA-N 441.303 4.387 5 20 IIBD CN(C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[C@@H]1CCCC[C@H]1S(C)(=O)=O 426863151 CXLDASWQUFCFNT-WOJBJXKFSA-N 448.566 4.174 5 20 IIBD O=C(N[C@H]1c2ccccc2CC12CCOCC2)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 427418777 AZRPSCCQQWYZSF-QHCPKHFHSA-N 429.476 4.481 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N(Cc1cccc(F)c1)C[C@H]1CCCO1 429803721 QVTFGFHDQHELFR-MRXNPFEDSA-N 437.265 4.318 5 20 IIBD C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CC[S@@]1=O 430354725 KSELJOIECGRDCK-QYSRSOONSA-N 438.958 4.383 5 20 IIBD O=C(Nc1ccc(NC(=O)c2ccco2)cc1)c1cc(Br)cc([N+](=O)[O-])c1 431632544 XHOIKAJUQMFJGT-UHFFFAOYSA-N 430.214 4.455 5 20 IIBD CC(C)(NC(=O)Nc1ccccc1I)c1ccccc1[N+](=O)[O-] 432465108 RRDFSHFGFBGREL-UHFFFAOYSA-N 425.226 4.256 5 20 IIBD COc1cc(NC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c(C)cc1C 434899855 KNDVORJXPPKRNY-SFHVURJKSA-N 429.473 4.425 5 20 IIBD O=C(Nc1nc([C@@H]2C[C@H]3CC[C@H]2C3)cs1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 435017031 PHQQJIFRZXPECP-RLFYNMQTSA-N 440.525 4.085 5 20 IIBD Cc1c(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cnn1-c1ccccc1F 435341566 YZPHCBOUDOGQRH-UHFFFAOYSA-N 438.337 4.421 5 20 IIBD C[C@@H]1C[C@H]1[C@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 435820868 ZGLLITACQMVWHI-YDZGXFTCSA-N 441.871 4.029 5 20 IIBD O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 436085798 VFYMOWNWCWPSCL-GOSISDBHSA-N 447.485 4.354 5 20 IIBD Cc1nccc(-c2cccc(NS(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])c2)n1 438816477 WKGWFJWARJPJRY-UHFFFAOYSA-N 439.280 4.468 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](CC)[C@H](c1ccc(C)cc1)n1cncn1 439924526 FIQFVIWJHNLMDN-RXVVDRJESA-N 438.488 4.083 5 20 IIBD CCCOc1cc(NC(=O)C(=O)NC2CCC(C)(C)CC2)c([N+](=O)[O-])cc1OCCC 441935354 VVVFWEFIEGUNGU-UHFFFAOYSA-N 435.521 4.196 5 20 IIBD Cc1ccc(OCc2ccccc2)c(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c1 442178875 AWDJOAZZYWCJTN-UHFFFAOYSA-N 429.436 4.315 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(-c3cccc(-n4nccc4-c4ccccc4)c3)n2)n1C 445618578 DKVKMUUKGKSIRI-UHFFFAOYSA-N 427.424 4.206 5 20 IIBD COc1ccc(C2(c3nc(Cc4cc(OC)cc(OC)c4[N+](=O)[O-])no3)CCC2)cc1 445822383 RKMHXCQJZVERCJ-UHFFFAOYSA-N 425.441 4.064 5 20 IIBD COc1ccc(NC(=O)CN[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 445986319 UAAQXHBIAQONAZ-WBVHZDCISA-N 437.418 4.487 5 20 IIBD CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1Cc1ccccc1 460778255 PIQJYBGQHNAFPQ-OAQYLSRUSA-N 435.528 4.491 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@@H]3[C@H]3CCCO3)n2Cc2cccs2)c1 461309679 PEVTTXDFCMXOHJ-RTBURBONSA-N 425.514 4.111 5 20 IIBD C[C@H](Sc1ccc(Br)cc1)C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 461396422 LZWVQCOUCBTETQ-LBPRGKRZSA-N 437.315 4.259 5 20 IIBD CCO[C@@H]1C[C@H](N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCCO2)C1(C)C 461812587 VEAWJTRXMMZJCU-HSALFYBXSA-N 443.548 4.062 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 462923182 DCDUCSYKQJILQV-SJORKVTESA-N 444.919 4.089 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H](C)C2(CCCCC2)C1 463171965 PBVMAAFWDBOFAO-PXNSSMCTSA-N 447.601 4.265 5 20 IIBD COc1ccc2c(c1)CCC[C@H]2CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 463536137 FRRRYVOZNYEIEX-AWEZNQCLSA-N 438.402 4.394 5 20 IIBD CCC(CC)(CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 464679289 INGMJXLGRRTJTG-KRWDZBQOSA-N 429.542 4.135 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464780900 YCRGBZRAHLAEJW-OAHLLOKOSA-N 447.919 4.436 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 466508312 FFKWCXATEBHHFB-UHFFFAOYSA-N 432.479 4.140 5 20 IIBD COc1cc(S(=O)(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)ccc1[N+](=O)[O-] 469053936 OTMOEJYKBAUGFK-UHFFFAOYSA-N 434.282 4.321 5 20 IIBD C[C@H](O)C[C@@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 469066026 RNIFVOVOYXEFAY-AVRDEDQJSA-N 433.508 4.491 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1 470696056 FSPDEOJBRQXYDX-UHFFFAOYSA-N 443.456 4.201 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)c(Cl)c1 471869371 AIAAGTAZCLFLQF-GOSISDBHSA-N 438.292 4.365 5 20 IIBD C[C@H](NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1cccc([N+](=O)[O-])c1 473426145 NOJCTTVSIRWZJD-ZBEGNZNMSA-N 437.283 4.067 5 20 IIBD COc1cc(C)c(Br)cc1S(=O)(=O)Nc1cc(C)c([N+](=O)[O-])cc1C 473779205 XQDGIWXJLRIMST-UHFFFAOYSA-N 429.292 4.092 5 20 IIBD CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 479715877 NYWUKMWDZKNKTC-OAHLLOKOSA-N 441.513 4.213 5 20 IIBD C[C@@H](CC(N)=O)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2 482278055 QLJOPELMYNHAHB-SUCHYCSPSA-N 444.491 4.014 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N(C)c2cnc3ccccc3n2)cc1[N+](=O)[O-])c1ccccn1 484876234 PYYVYWBCQVIFAA-OAHLLOKOSA-N 428.452 4.383 5 20 IIBD COC(=O)c1cc(NC(=O)Nc2cn(CC(C)C)nc2C(F)F)c(C)c([N+](=O)[O-])c1 486860764 VKWUHYQBWNNMIY-UHFFFAOYSA-N 425.392 4.124 5 20 IIBD O=C(NCC1CCN(Cc2cccs2)CC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 487923785 YGHMXFJTNJKINW-UHFFFAOYSA-N 428.558 4.243 5 20 IIBD CN1CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)c2cccnc21 488224997 DSNLQHBXFVKKSL-UHFFFAOYSA-N 437.887 4.352 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H]1CCOC2(CCCCC2)C1 489067741 GQXMPQUFLLZAPF-OAHLLOKOSA-N 429.439 4.414 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3F)cc2)cc1[N+](=O)[O-] 490793781 MGPOPZOBVVJPFF-UHFFFAOYSA-N 447.419 4.235 5 20 IIBD C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1ccc(NC(=O)c2ccc(F)cc2)cc1 491230463 CMTFRJXPAWGEQZ-GFCCVEGCSA-N 440.406 4.199 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC2(CC1)OCCc1ccsc12 491830059 LOLXSQALFHQGNB-UHFFFAOYSA-N 437.315 4.123 5 20 IIBD C[C@@H](NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1OCc1ccccc1 494365990 HGYRUUXAGOOGNZ-GOSISDBHSA-N 449.511 4.478 5 20 IIBD O=C(Nc1cccnc1N1CCOCC1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 495080488 QQMKLYZOXGDNOD-UHFFFAOYSA-N 436.493 4.230 5 20 IIBD NC(=O)c1ccccc1Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 498315423 AGGDZAIXXUAHQM-UHFFFAOYSA-N 428.404 4.287 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N(CCO)Cc1ccc(Cl)c(Cl)c1 498490350 BBIIUKRWTPAKRU-UHFFFAOYSA-N 446.718 4.302 5 20 IIBD CC(C)S(=O)(=O)Cc1ccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 499469790 DCEOOLAIFUZAIR-UHFFFAOYSA-N 445.522 4.294 5 20 IIBD CO[C@H]1Cc2ccccc2N(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 500269826 PXIRHJGXONPXGG-APWZRJJASA-N 432.480 4.381 5 20 IIBD Cc1ncc(CN(C)C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)s1 502929216 AABNFYZZUASIAM-UHFFFAOYSA-N 447.520 4.414 5 20 IIBD Cc1ccc(NC(=O)N2[C@H]3CC[C@H]2CC(O)(Cc2ccc(F)cc2F)C3)cc1[N+](=O)[O-] 503628995 RQNCWFDCIQQJDE-ROUUACIJSA-N 431.439 4.314 5 20 IIBD COc1ccc(CSCC(=O)N2CCO[C@H](c3ccccc3Cl)C2)cc1[N+](=O)[O-] 505130177 MHXZFOIXJCJAHY-IBGZPJMESA-N 436.917 4.090 5 20 IIBD Cn1c(-c2cc(Cl)ccc2Cl)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 507925215 SMLRRSSWVJSKPI-UHFFFAOYSA-N 433.299 4.024 5 20 IIBD O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 509483895 NPOWQEUFVUSPIK-UHFFFAOYSA-N 442.686 4.153 5 20 IIBD Cc1c(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cccc1C(=O)N1CCCC1 510022386 DBJBXYWWYKRUHM-UHFFFAOYSA-N 446.301 4.462 5 20 IIBD Cc1c(C[S@@](C)=O)cccc1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 510043321 IUYNENUMYBPRRF-RUZDIDTESA-N 425.304 4.105 5 20 IIBD Cc1c(Br)cc(C(=O)N[C@@H](C)c2noc(-c3ccccc3)n2)cc1[N+](=O)[O-] 510464275 JVYKOQBSERVOHT-NSHDSACASA-N 431.246 4.207 5 20 IIBD COc1ccccc1[C@@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)N1CCCCC1 511422721 SQTCKBRYLAHJGP-JOCHJYFZSA-N 440.544 4.015 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)cc1OC 513000303 XWPNGPDVRDLUDB-REPLKXPHSA-N 440.496 4.179 5 20 IIBD C[C@H](N[C@@H](C)c1ccc2n[nH]cc2c1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 513423886 AZMPEXAXTYXYGX-STQMWFEESA-N 436.497 4.272 5 20 IIBD CCN(C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)[C@@H](C)c1cccc(C(F)(F)F)c1 513481734 UEUIYEGUNATLGB-LBPRGKRZSA-N 444.431 4.240 5 20 IIBD CCOC(=O)c1sc2[nH]c([C@H](C)SCc3ccc([N+](=O)[O-])cc3)nc(=O)c2c1C 513816451 OCKRVCVKQACLRT-NSHDSACASA-N 433.511 4.372 5 20 IIBD CC(C)(C)NC(=O)c1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 514433369 OJOPBMBQTOHUDC-UHFFFAOYSA-N 439.390 4.317 5 20 IIBD O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 515339093 IBGBNXNVOKKLNR-UHFFFAOYSA-N 429.429 4.200 5 20 IIBD O=C(NCCOc1ccc2ccccc2c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 515554229 VPSPKUAQHNOZRI-UHFFFAOYSA-N 434.370 4.498 5 20 IIBD COC(=O)c1cc(C(=O)Nc2nc(C)c(Cc3ccc(F)cc3)s2)cc([N+](=O)[O-])c1 515635483 CXBBXMXIVLBQBX-UHFFFAOYSA-N 429.429 4.129 5 20 IIBD CCCN(Cc1ccccc1Br)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 520092258 OIAYBMVPAMQXPK-UHFFFAOYSA-N 435.274 4.181 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N[C@H]1CCN(C2CC2)C1 520764973 QBSWZLHIOMKYJZ-KJCUYJGMSA-N 448.548 4.488 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N[C@H](C)C(=O)NCc3ccco3)cc2[N+](=O)[O-])cc1 520963048 BCMFMKRNPMYFNC-OAHLLOKOSA-N 439.493 4.082 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(Cc1ccc2c(c1)OCO2)c1ccccc1 521559256 VKZDDKIGQHEAOK-UHFFFAOYSA-N 426.450 4.027 5 20 IIBD CS(=O)(=O)Nc1ccc(NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 522709212 ANVYLDCYRKTXRP-UHFFFAOYSA-N 442.453 4.403 5 20 IIBD O=C(Nc1ccc(F)cc1)C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 523565855 PIJVJPSDFLYDRR-UHFFFAOYSA-N 427.457 4.440 5 20 IIBD COc1cc([C@@H](C)NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)ccc1OC1CCCC1 524244391 YABGKWUMCGFNOB-OAHLLOKOSA-N 428.485 4.353 5 20 IIBD COc1cc(C(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc([N+](=O)[O-])c1OC 525045357 RYNLFRWYRTUJSN-HNNXBMFYSA-N 449.463 4.355 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@H](c1ccncc1)c1ccc(Cl)cc1 530904117 IRWMNFQRUKQJMY-FQEVSTJZSA-N 447.900 4.062 5 20 IIBD CCOC(=O)c1cc2cc(NC(=O)c3cc(OC)c(OC)cc3[N+](=O)[O-])ccc2s1 533605183 UOKWJFHCJHOQPY-UHFFFAOYSA-N 430.438 4.256 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 533938078 LFWNTUJQJGYUOC-XMMPIXPASA-N 425.448 4.401 5 20 IIBD Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534796216 HPWARFYIGKFBBI-RYRZJZHYSA-N 441.509 4.073 5 20 IIBD COc1cc(C(=O)NC[C@@](C)(O)C(F)(F)F)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 534860399 MVUWHEMJSZUBDM-QGZVFWFLSA-N 448.781 4.092 5 20 IIBD O=C(Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1)c1c[nH]c2cccc([N+](=O)[O-])c12 534989493 DGFQZFZNXUJMJV-UHFFFAOYSA-N 434.431 4.452 5 20 IIBD O=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1cccc([N+](=O)[O-])c1N1CCOCC1 538448871 WCYHJVDZRMEYLD-UHFFFAOYSA-N 443.463 4.023 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O 538523797 ODKBMDGWBWHBPR-QGZVFWFLSA-N 431.489 4.161 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CCO[C@]4(CCOC4)C3)o2)c(Br)c1 539979792 SFGOONAXZOSZOJ-ORAYPTAESA-N 437.290 4.045 5 20 IIBD COCCOc1c(Cl)cc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1Cl 540215143 ONNWQAROMBEVOU-UHFFFAOYSA-N 435.285 4.036 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)c1 540617636 VSPHSSHFOSGFAA-UHFFFAOYSA-N 425.416 4.315 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCCc3nc(-c4ccccc4)sc32)cc1 541740790 QTPVSJFKPLXQSX-SFHVURJKSA-N 443.550 4.159 5 20 IIBD CC(C)=CCOc1cccc(C(=O)N2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)c1 541843311 HYAZIMOHIDNPKA-UHFFFAOYSA-N 449.511 4.169 5 20 IIBD Cc1ccccc1CNc1ccccc1NC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 543012460 ROEWABFZCNKJIO-UHFFFAOYSA-N 432.480 4.192 5 20 IIBD CC(C)(C(=O)Nc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1)c1ccc([N+](=O)[O-])cc1 544049265 CMAXBPCRSRHDCL-UHFFFAOYSA-N 445.522 4.038 5 20 IIBD O=[N+]([O-])c1cc(Br)cc(-c2nc(-c3ccccc3Cn3cccn3)no2)c1 544982965 CCPNFDBIFIPTMI-UHFFFAOYSA-N 426.230 4.319 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)N1CCC(Oc2cccc(Br)c2)CC1 545345296 RFUPJAFZACKFEN-UHFFFAOYSA-N 434.290 4.110 5 20 IIBD Cc1ccc(S(=O)(=O)C2(c3nc(Cc4cccc([N+](=O)[O-])c4C)no3)CCCC2)cc1 546486590 YYJDVBWLFODIRC-UHFFFAOYSA-N 441.509 4.429 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CCOC2(CCOCC2)CC1 546714507 PEVPAXYOVADOKT-UHFFFAOYSA-N 434.558 4.289 5 20 IIBD CC(C)(C(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1)c1ccc([N+](=O)[O-])cc1F 547234110 SZMXKJKTWPPRIO-UHFFFAOYSA-N 436.505 4.364 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc(Oc3nc(C)cs3)c(F)c2)cc([N+](=O)[O-])c1 548715019 QEAYFQZFPQOIEB-UHFFFAOYSA-N 431.401 4.330 5 20 IIBD CN(CCCCc1ccccc1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 549596044 WSFZWTMTROMTBR-FQEVSTJZSA-N 435.528 4.349 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 552210379 ZUEWQKFZAQGHSB-LLVKDONJSA-N 439.465 4.344 5 20 IIBD Cc1ncc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2ccccc2)s1 555197591 GZHPOHXKSKQEQI-UHFFFAOYSA-N 434.525 4.497 5 20 IIBD CCOc1cc(C(=O)Nc2ccnc(N3CCc4ccccc4C3)c2)c([N+](=O)[O-])cc1OC 557483659 SJKZCCWYTCGIKK-UHFFFAOYSA-N 448.479 4.212 5 20 IIBD NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 557693358 MPIHOAUTEVFETE-GJZGRUSLSA-N 429.420 4.009 5 20 IIBD CC(=O)N(c1cccc(Cl)c1)c1nc(COc2ccc([N+](=O)[O-])c(CO)c2)cs1 562374919 MPZNHUDMNBRGQU-UHFFFAOYSA-N 433.873 4.461 5 20 IIBD CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 566986809 MECQBIKNASVKQL-HXUWFJFHSA-N 425.464 4.226 5 20 IIBD COc1cc(Cc2noc(Cc3c[nH]c4ccc(Cl)cc34)n2)c([N+](=O)[O-])c(OC)c1 570895531 WNPQEIQRYQMTMH-UHFFFAOYSA-N 428.832 4.311 5 20 IIBD CC[C@H](NC(=O)c1ccccc1)c1noc(-c2cc(Br)cc([N+](=O)[O-])c2)n1 574145628 IMNRCKQVUWXXQV-HNNXBMFYSA-N 431.246 4.288 5 20 IIBD Cc1cc(NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)c2cccc([N+](=O)[O-])c2n1 578780685 DJAOLVFQPRROMC-UHFFFAOYSA-N 439.415 4.486 5 20 IIBD Cc1ccc(C[C@H]2CCCN(C(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)C2)cc1 578804553 RTEVOCBWJLWPAN-LJQANCHMSA-N 437.496 4.073 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 603565840 VTZDEZKLCGXAMR-MRXNPFEDSA-N 438.267 4.154 5 20 IIBD CCN(C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 603739329 PSBKOMRCSGCPMQ-UHFFFAOYSA-N 428.363 4.220 5 20 IIBD COc1cccc(OC)c1Oc1ccc(CNc2nc3sccn3c2[N+](=O)[O-])cn1 603869327 JRFWLVCUFDCPQI-UHFFFAOYSA-N 427.442 4.121 5 20 IIBD O=C(NCc1ccc(OCCOc2ccccc2)nc1)c1cc2cc([N+](=O)[O-])ccc2o1 603969626 KYMHKJPYJFLAFW-UHFFFAOYSA-N 433.420 4.124 5 20 IIBD COc1cc(OC)c(C2CCN(C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)c(OC)c1 604127782 RZPDLIPLEXHNCC-HNNXBMFYSA-N 443.500 4.271 5 20 IIBD CCN(CC)Cc1ccccc1CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl 608830386 PCFREZGZSMYZGI-UHFFFAOYSA-N 441.919 4.248 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1cccc(NC(=O)c2ccccc2)c1 608938169 WZPJXNLZJVPQAX-OAHLLOKOSA-N 447.447 4.109 5 20 IIBD COc1cc(CCNC(=O)c2csc(-c3ccccc3C)n2)c([N+](=O)[O-])cc1OC 608956961 WMQUDGZMYSMCLP-UHFFFAOYSA-N 427.482 4.016 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NC(C)(C)C(=O)Nc3ccccc3)cc2[N+](=O)[O-])C1 609376353 LLSVJQBOBGBHEI-IRXDYDNUSA-N 438.528 4.224 5 20 IIBD CN(CCn1cccn1)C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 609507344 JQEGUWINJVYBMK-SDXDJHTJSA-N 447.520 4.490 5 20 IIBD Cc1csc(Nc2ccc(NC(=O)c3nnn(-c4cccc([N+](=O)[O-])c4)c3C)cc2)n1 609521336 QZQDRAIHOUHCNC-UHFFFAOYSA-N 435.469 4.245 5 20 IIBD CN(c1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1)S(C)(=O)=O 609544956 DNGNEKUOANLWSA-UHFFFAOYSA-N 431.539 4.009 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@H](CO)c2cccc(F)c2)cc1 609708690 QXGFYRKGKAEMBA-HSZRJFAPSA-N 432.455 4.410 5 20 IIBD CCO[C@H](C)c1nc(CC(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)cs1 609754341 NEUXONBJHJNWAO-GFCCVEGCSA-N 431.436 4.282 5 20 IIBD CC(C)[C@@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 609768511 PTMSKIGSOXVERL-FQEVSTJZSA-N 431.514 4.046 5 20 IIBD CC(=O)N(Cc1ccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1)C1CC1 609863690 DCJRXUSHLQHLIY-UHFFFAOYSA-N 436.493 4.482 5 20 IIBD Cc1c(C(=O)Nc2ccc(Oc3cccc(S(C)(=O)=O)c3)cc2)cccc1[N+](=O)[O-] 609981647 RPVCLDFRNOSZPF-UHFFFAOYSA-N 426.450 4.351 5 20 IIBD COc1ccc(Oc2ccc(S(=O)(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)cc2)cc1 610161637 BOQZQCWJXSGIAA-OAHLLOKOSA-N 428.466 4.435 5 20 IIBD CCOC(=O)c1cc(F)c(F)cc1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 610186708 LTLQHNCLAPSRTD-UHFFFAOYSA-N 433.392 4.426 5 20 IIBD Cc1nc(CN2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SC3CCCC3)CC2)oc1C 611203358 LMFVOLKYSILIHF-UHFFFAOYSA-N 444.557 4.192 5 20 IIBD Cc1ccoc1C(=O)NCCCNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611206258 IUKWGBCUMQHGCO-UHFFFAOYSA-N 431.514 4.081 5 20 IIBD C[C@H](N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC1)C(F)(F)F 611206637 FUGLQLMSHRHBKD-ZDUSSCGKSA-N 431.480 4.338 5 20 IIBD CCOC(=O)CC[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 611215883 VSFOIAQUTLQFLU-IBGZPJMESA-N 439.512 4.402 5 20 IIBD CCOC(=O)CC[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 611215884 VSFOIAQUTLQFLU-LJQANCHMSA-N 439.512 4.402 5 20 IIBD CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3F)cc2)cc1 726518902 STTSVJJOGRDTFR-UHFFFAOYSA-N 430.413 4.182 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1ccc(CN2CCc3ccccc32)cc1 726931278 VSEMVHPFPMLWOP-UHFFFAOYSA-N 427.457 4.097 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)C(=O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 727101852 LTUGORQNHMYZKJ-SFHVURJKSA-N 444.871 4.059 5 20 IIBD C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1)c1cccc([N+](=O)[O-])c1 729526071 WLORDSQNDOUPFX-HZPDHXFCSA-N 432.498 4.076 5 20 IIBD O=C(OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Oc1cccnc1 730702361 DVMRXYFCWRQUKU-QGZVFWFLSA-N 447.447 4.244 5 20 IIBD Cc1cc(Cl)ccc1O[C@@H](C)C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730702482 AFKMGAXDZLLENG-RDJZCZTQSA-N 446.887 4.172 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](O)c1ccc(Cl)cc1Cl 732299244 XUHUZKAVNAQDDD-PSLIRLAXSA-N 433.675 4.172 5 20 IIBD O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cc(Cl)ccc1[N+](=O)[O-] 733939723 ZEVJETCCBQHQGA-GFCCVEGCSA-N 429.782 4.156 5 20 IIBD CC(=O)N(Cc1ccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1)C1CC1 736041690 BHRZENQEERYNOW-UHFFFAOYSA-N 432.274 4.121 5 20 IIBD O=C1/C(=C/NCCCCc2ccc([N+](=O)[O-])cc2)c2ccccc2C(=O)N1c1ccccn1 739667824 VNANTRSHPRTVRF-OQKWZONESA-N 442.475 4.130 5 20 IIBD CCCN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)[C@H]1C[C@H](OCC)C12CCCC2 740803690 RHDBFJXZUGTBPO-VXKWHMMOSA-N 445.560 4.021 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 743637286 MCTNUDITRGXLDS-UHFFFAOYSA-N 447.373 4.010 5 20 IIBD CCOc1cc(N2CCC(OC(=O)[C@@H](C)Oc3cccc(F)c3)CC2)ccc1[N+](=O)[O-] 744204482 NVPUGSACZKXAHH-OAHLLOKOSA-N 432.448 4.112 5 20 IIBD Cc1ccccc1C1(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CCOCC1 744862160 QUKGGUKWZFWVJI-OAHLLOKOSA-N 446.887 4.175 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)cccc1[N+](=O)[O-] 745744297 BJPCNXVPSFZZJO-APPDUMDISA-N 441.267 4.204 5 20 IIBD C[C@H](OC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1nc(-c2ccc(Cl)cc2)no1 746063954 ACXWYPYMWIVWDV-LBPRGKRZSA-N 439.815 4.402 5 20 IIBD C[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 747404702 XHRNVMVCFSMJPF-IRXDYDNUSA-N 446.548 4.304 5 20 IIBD Cc1c(CC(=O)Nc2cc3c(cc2NC(=O)OC(C)(C)C)OCO3)cccc1[N+](=O)[O-] 747909496 DRVGOPWWWMJOJL-UHFFFAOYSA-N 429.429 4.160 5 20 IIBD C[C@H](OC(=O)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 750101947 MLZIAGAWQDPXAN-ZDUSSCGKSA-N 439.449 4.093 5 20 IIBD Nn1c(Cc2cccc3ccccc23)nnc1SCc1nc2cc([N+](=O)[O-])ccc2o1 751465803 JBNXMQNTZPXQIF-UHFFFAOYSA-N 432.465 4.078 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@](COC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)(C(F)(F)F)C1 751883660 BZCDCBVZCQBQIP-QBUQCISBSA-N 444.406 4.341 5 20 IIBD CCS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1Cl 752417430 XXMUXRMPBFTSJR-LLVKDONJSA-N 445.324 4.495 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2cccc(OCc3ccccn3)c2)cc1[N+](=O)[O-] 753065260 DJVJIBWSIPWJJE-UHFFFAOYSA-N 433.873 4.331 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NCC[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c1[N+](=O)[O-] 753818269 OAPAEHHHBYCUQY-MAUKXSAKSA-N 428.489 4.016 5 20 IIBD CC[C@H]1CN(c2ncc([N+](=O)[O-])c(C)c2Br)CC[C@H]1NC(=O)OC(C)(C)C 754060501 PHMPCUFCTJKQFI-QWHCGFSZSA-N 443.342 4.190 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)Nc1sc2c(c1C(N)=O)-c1ccccc1CCC2 756689849 FEZASNGZRADXED-UHFFFAOYSA-N 437.477 4.172 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(CC(=O)O[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 759939159 LRGHRNKRQPJHCE-QZTJIDSGSA-N 444.488 4.408 5 20 IIBD Cc1nc(NC(=O)OC(C)(C)C)sc1-c1nc(CCNc2ccccc2[N+](=O)[O-])no1 761969703 OMHWQZDPMUFBGM-UHFFFAOYSA-N 446.489 4.411 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc([C@H]3CC(c4ccccc4)=NO3)n2)c(Br)c1 762260567 IWYJWKCEQBORTE-MRXNPFEDSA-N 429.230 4.197 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)cc2F)C[C@H](C)O1 762445611 VQZAKPJSBZWZME-KBPBESRZSA-N 433.455 4.403 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN(C)C[C@@H]2OCCc3ccccc32)c1=S 764960747 AJTUAENHZNGGJI-FQEVSTJZSA-N 439.541 4.212 5 20 IIBD O=C1c2cc(Cl)ccc2N[C@@H](c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N1c1ccncc1 765984138 ZHBUVPOIIBQKPR-GOSISDBHSA-N 425.788 4.323 5 20 IIBD COCc1nc(C)c(C(=O)O[C@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])s1 774370194 RQWGDQWQMSSMFL-OAHLLOKOSA-N 443.319 4.314 5 20 IIBD CC(C)c1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc(O)n1 775043161 NYRKQZNEPVDZKM-JTQLQIEISA-N 441.362 4.022 5 20 IIBD CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 776586582 GDSPEIGXIDFAHV-XZOQPEGZSA-N 426.513 4.077 5 20 IIBD O=C(OCc1coc(-c2c(F)cccc2F)n1)c1cc([N+](=O)[O-])ccc1OC(F)F 778888279 UTIIXEXBMCNEAX-UHFFFAOYSA-N 426.278 4.486 5 20 IIBD C[C@H](OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)NCc1ccccc1Cl 781259310 DXOFNWUYHGPQLF-AWEZNQCLSA-N 434.879 4.196 5 20 IIBD O=[N+]([O-])c1cc(Cl)c2c(cnn2CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1 782296159 JDYAOWHDRWMXGE-LBPRGKRZSA-N 428.802 4.108 5 20 IIBD C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 783318277 ZAIVIZALBHIVIC-SNVBAGLBSA-N 429.782 4.425 5 20 IIBD CCS(=O)(=O)c1ccc(Br)c(C(=O)O[C@@H](C)c2ccccc2[N+](=O)[O-])c1 784628095 LVPHBECRTLQYMX-NSHDSACASA-N 442.287 4.069 5 20 IIBD Cc1ccc([C@H](C)N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2Br)c(C)c1 784679774 IAFINDKMXWMVLF-AWEZNQCLSA-N 448.317 4.441 5 20 IIBD Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Br)c1Br 787337470 COZNCXLBTYJMPJ-UHFFFAOYSA-N 428.080 4.358 5 20 IIBD COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])c1 788363588 AQCYDDYKQWXCER-NOXFTYBFSA-N 434.448 4.443 5 20 IIBD COC(=O)COc1ccc(CN2CCCCC[C@@H]2C[C@@H](O)c2cccs2)cc1[N+](=O)[O-] 789515200 YNOSBJSHPJSFNM-IEBWSBKVSA-N 448.541 4.076 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c1F 790411672 ZYNKKKZCKPAUTF-UHFFFAOYSA-N 425.391 4.364 5 20 IIBD COc1ccc(OC(=O)Cn2c(COc3ccccc3)nc3ccccc32)cc1[N+](=O)[O-] 792119906 WEFJCCZJRODLCC-UHFFFAOYSA-N 433.420 4.138 5 20 IIBD CC(C)(C)OC(=O)N1CC=C(CCNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 792992502 OILSVYVMIDIBRS-UHFFFAOYSA-N 438.912 4.005 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3ccc(F)c(N4CCOC4=O)c3)cc2[N+](=O)[O-])CC1 794109277 ONJWYSJHUZVPPX-UHFFFAOYSA-N 442.447 4.179 5 20 IIBD CC(C)(C(=O)Oc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccccc1[N+](=O)[O-] 796762969 PEEBLCJZTOTFNE-UHFFFAOYSA-N 425.462 4.311 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CC[C@H](c2ccccn2)C1 798714600 BFPNHOSFSLNJJZ-LBPRGKRZSA-N 432.267 4.112 5 20 IIBD O=C(OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1ccc(Oc2ccccc2)cn1 799609354 FTOJIVQRBIZOBD-KRWDZBQOSA-N 447.447 4.244 5 20 IIBD C[C@@H](NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)no1 801027439 PUAPXMIWKIAMJR-CYBMUJFWSA-N 429.864 4.243 5 20 IIBD COc1ccccc1O[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 807727553 URDSLDCDIJAMMO-CYBMUJFWSA-N 435.274 4.050 5 20 IIBD C[C@@H](CNC(=O)c1ccccc1)c1noc(-c2cc([N+](=O)[O-])ccc2N2CCCCC2)n1 809431080 OUWNBLHVPPGVDR-INIZCTEOSA-N 435.484 4.169 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@@H]1COc2cc(F)c(Br)cc21 809917660 MNYZJFMEFWXTJA-LLVKDONJSA-N 430.617 4.405 5 20 IIBD O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[C@H](c2ccccc2)C1 810403415 QDDIMRDZDZRGGR-GJZGRUSLSA-N 446.301 4.138 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(N3CCCCC3=O)cc2)cc1OC 811003585 GRTVUAUWIOVMRO-HNNXBMFYSA-N 441.484 4.010 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](C)c1ccc(N2CCCCC2=O)cc1 811004715 BLNIDBFJAZSGPY-CABCVRRESA-N 445.903 4.410 5 20 IIBD C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811216284 ILMSQHJONPWYSS-AWEZNQCLSA-N 435.461 4.277 5 20 IIBD CCOc1ccc([C@H](O)C2CCN(C(=O)c3cccc(SC)c3[N+](=O)[O-])CC2)cc1 812679213 IDWABORJOCHUDN-NRFANRHFSA-N 430.526 4.301 5 20 IIBD O=C(c1cc(F)c([N+](=O)[O-])cc1F)N1CC[C@@H](Cc2ccc(Br)cc2)C1 817767994 FMUZEVUSSODARA-LBPRGKRZSA-N 425.229 4.340 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)c1 915442535 NWCFJPJCWFABGJ-UHFFFAOYSA-N 427.240 4.161 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(CN3CCCC3=O)cc2)CC1 916429543 BWWNEPJTQHIEAD-UHFFFAOYSA-N 436.512 4.206 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1C 917258383 QYPHHNPQJOHKPE-CYBMUJFWSA-N 440.374 4.337 5 20 IIBD O=C1C[C@@H](C(=O)N2CCCCC[C@H]2c2ccccc2)CN1c1ccc(F)c([N+](=O)[O-])c1 917714548 OEHRGFJIGXCDOJ-XLIONFOSSA-N 425.460 4.231 5 20 IIBD Cc1nc(CN(c2ccc(F)cc2)S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cs1 918193990 PTIPXNASNKZGAM-UHFFFAOYSA-N 425.438 4.033 5 20 IIBD Cc1ccc(S(=O)(=O)N(C(=O)c2ccc([N+](=O)[O-])c(C)c2)c2ccc(O)cc2)s1 920152350 RHPUUPMPOFVHCW-UHFFFAOYSA-N 432.479 4.014 5 20 IIBD O=C(COC(=O)C1(c2cccc(F)c2)CCC1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1115827322 PNDXASHTTFYZNY-UHFFFAOYSA-N 440.349 4.356 5 20 IIBD Cc1c(C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])cnn1-c1ccncc1 1116699182 FQWWJRBHRMUCBK-UHFFFAOYSA-N 429.436 4.315 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1317872229 RYZFYVYKFVWYLR-GFCCVEGCSA-N 431.399 4.484 5 20 IIBD Cc1ccc([N+](=O)[O-])c(-c2nnc(-c3ccc(Cn4nnc(-c5ccccc5)n4)cc3)o2)c1 1322125173 KYOMBVYCXJXWRY-UHFFFAOYSA-N 439.435 4.322 5 20 IIBD CCn1nc(-c2nnc(-c3csc(-c4cccc([N+](=O)[O-])c4)n3)o2)c2ccccc2c1=O 1325792907 MTDDRUFRJXOUSW-UHFFFAOYSA-N 446.448 4.165 5 20 IIBD C[C@@H](C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1)c1ccc(O)cc1 1785749727 JRWAUAITUBAVGY-OAHLLOKOSA-N 449.463 4.445 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3cscn3)CCC2)cc1)c1cc(F)cc([N+](=O)[O-])c1 1790696508 CLKWGDMOTMOENZ-UHFFFAOYSA-N 440.456 4.252 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)cc2)CCC1)c1ccc([N+](=O)[O-])[nH]1 1791532019 CQDKPFPWFQZILG-UXHICEINSA-N 444.491 4.474 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCCCC1(F)F 1793718718 IOLNFNHWXAZHQM-NIPFYJPSSA-N 447.482 4.072 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CC[C@H](C)CC1)C2 1800698764 DOOHGSUUOZGPPP-FIIAMQOCSA-N 431.508 4.120 5 20 IIBD Cc1ccc([C@@H](C)C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2ccc(C)c([N+](=O)[O-])c2)C3)cc1 1801777621 DOBMFHIJDWCIGU-TWHAJKEOSA-N 449.551 4.196 5 20 IIBD CC[C@H](C)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])[nH]n1 1815045378 NJOMLTBKTIITMW-SUMWQHHRSA-N 431.468 4.199 5 20 IIBD O=C(CC1CCC1)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc([N+](=O)[O-])ccc2F)CC1 1824948479 ZXRQZLFTHCVIPR-QFIPXVFZSA-N 445.535 4.086 5 20 IIBD Cc1ccc(C(=O)CCC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 8930170 LTIITOWOLRCFEO-UHFFFAOYSA-N 438.358 4.067 5 20 IIBD CCOC(=O)Nc1ccc(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 9891496 QMQZNGYEHBRNJR-UHFFFAOYSA-N 440.378 4.024 5 20 IIBD O=C(c1cc(Cl)cc(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 10274116 DQKSCSKTGMOBSY-UHFFFAOYSA-N 431.279 4.412 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(Nc2ccc(C)cc2)s1 10317477 XYRAJANEENHEMR-UHFFFAOYSA-N 431.499 4.238 5 20 IIBD COc1ccc(Br)cc1CN(C)C(=O)CSc1ccc([N+](=O)[O-])cc1 15462769 WFUWYZBGYUZDQS-UHFFFAOYSA-N 425.304 4.117 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1 15548638 FRLPRVXMPJDLHA-HXUWFJFHSA-N 429.523 4.313 5 20 IIBD Cc1c(NC(=O)[C@@H](C)Oc2ccc3c(C(F)(F)F)cc(=O)oc3c2)cccc1[N+](=O)[O-] 21561428 DZFVGQNRBGQRQU-LLVKDONJSA-N 436.342 4.434 5 20 IIBD CCC(CC)NC(=O)[C@@H](C)OC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 23968938 WMKWAISTQDUPPF-GFCCVEGCSA-N 437.543 4.361 5 20 IIBD Cc1ccc2c(COC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)cc(=O)oc2c1C 24208054 JIFRUBXRWITUPR-UHFFFAOYSA-N 436.464 4.278 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nnc(N2CCC(C)CC2)n1C1CC1 26424025 MHZKJMJXIFUERF-UHFFFAOYSA-N 444.561 4.187 5 20 IIBD C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)COc1ccccc1[N+](=O)[O-] 29056982 NBDDRCPSXUCSGD-KRWDZBQOSA-N 433.464 4.446 5 20 IIBD CC(C)c1sc(NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)nc1-c1ccccc1 31777777 KVFPZTBGQGTUIQ-UHFFFAOYSA-N 445.522 4.498 5 20 IIBD COc1cc(CN2CCC(CN3CCCCCC3)CC2)c([N+](=O)[O-])cc1OC(F)F 57889383 LFVOCKYXFHBOQO-UHFFFAOYSA-N 427.492 4.293 5 20 IIBD Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1S(=O)(=O)Nc1ccccc1 60411928 MHYIOMWSPWHHMK-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD CN(CCCCCc1cc(-c2cccc(F)c2)no1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 63773869 HGDBJNQTVJHNJC-UHFFFAOYSA-N 447.488 4.422 5 20 IIBD COc1ccc2c(C)cc3nnc(SCCC(=O)Nc4ccccc4[N+](=O)[O-])n3c2c1 105854852 GXGPPFIRXVDNGV-UHFFFAOYSA-N 437.481 4.229 5 20 IIBD O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])C1 108447372 VZNWMTFUURCUCY-NSHDSACASA-N 439.697 4.261 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNCCCOC[C@@H]3CCCO3)o2)c(Br)c1 236568256 QHNROKMRHWDWNK-INIZCTEOSA-N 439.306 4.293 5 20 IIBD O=c1c(Cl)c(NCc2ccc(Br)cc2)cnn1-c1ccc([N+](=O)[O-])cc1 301182071 IJBLPVGAECNHOQ-UHFFFAOYSA-N 435.665 4.169 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1[N+](=O)[O-] 301754888 CTQMFXOGBBSRPW-SNVBAGLBSA-N 446.407 4.163 5 20 IIBD CCS[C@H](C)c1noc(CN(C)C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])n1 409687036 LEPSRVCLSGDXCB-SNVBAGLBSA-N 448.423 4.005 5 20 IIBD CCCn1nccc1C1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 410267527 OFHGQOPKBCPGQV-UHFFFAOYSA-N 425.514 4.345 5 20 IIBD COC(=O)c1ccc(OC(C)C)c(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 429878109 QYRSYACMTQPDHI-UHFFFAOYSA-N 437.246 4.183 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N[C@H](C(=O)O)C1CC1 431445073 LAPYPJZKNBWWPL-RNTFSAEZSA-N 437.477 4.115 5 20 IIBD O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)c1cc(Br)cc([N+](=O)[O-])c1 432678352 NBBJIVJZMLBDHC-UHFFFAOYSA-N 439.678 4.203 5 20 IIBD CC1(C)C[C@H](NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c2cc([N+](=O)[O-])ccc21 433147623 YYWCOALXVWXPNE-QFIPXVFZSA-N 443.569 4.282 5 20 IIBD CCCCS(=O)(=O)c1ccc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 433868509 NFUUQTBNLRUFCY-FQEVSTJZSA-N 434.539 4.056 5 20 IIBD CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]12 439985356 ULINYOCVTWCZNR-WKWVNEEDSA-N 444.576 4.026 5 20 IIBD CCCN(CC(=O)Nc1ccc(Cl)cc1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 440644481 USVATBVYGXNIDE-UHFFFAOYSA-N 429.864 4.149 5 20 IIBD CCOc1cc(NC(=O)C(=O)Nc2ccc(CC)c(CC)c2)c([N+](=O)[O-])cc1OCC 440836731 XNSGZCZFELOQMB-UHFFFAOYSA-N 429.473 4.094 5 20 IIBD COc1ccc(NC(=O)C2(NCc3ccc(Cl)cc3[N+](=O)[O-])CCCC2)cc1OC 440911016 SKNXBLRIMDFYMQ-UHFFFAOYSA-N 433.892 4.307 5 20 IIBD CCCN(C(=O)c1ccc(=O)n(Cc2csc(C(C)C)n2)c1)c1cccc([N+](=O)[O-])c1 441461936 XSLHWIFCWYQDJM-UHFFFAOYSA-N 440.525 4.442 5 20 IIBD Cc1cc(C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)nn1-c1ccc(Cl)cc1Cl 444630775 IRWLWACCAUPHHG-UHFFFAOYSA-N 445.266 4.202 5 20 IIBD C[C@H](CCc1ccc(Br)cc1)NC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 445267798 RVERSGAGHVQNAY-GFCCVEGCSA-N 446.305 4.054 5 20 IIBD CC(=O)Nc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1Cl 445665202 OWERQJGXKXZZOK-UHFFFAOYSA-N 426.654 4.150 5 20 IIBD CCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 447032257 WNRQGNDBTWUXCR-UHFFFAOYSA-N 433.711 4.222 5 20 IIBD CCc1cnc(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)s1 464130787 WFODWDSQZZTMMI-UHFFFAOYSA-N 442.463 4.165 5 20 IIBD CN(C)[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1cccc(C(F)(F)F)c1 469750069 WSCOBBLOGOZETA-SFHVURJKSA-N 441.425 4.449 5 20 IIBD COc1cc(C(=O)N[C@@H](CCO)c2ccco2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 470554605 CDSHCWAHELVQCA-HNNXBMFYSA-N 446.843 4.496 5 20 IIBD CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 470713049 HLKBAJVBOCFCIA-UHFFFAOYSA-N 434.374 4.166 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 471160436 FVJMAJJPXGFYLN-MZNJEOGPSA-N 448.479 4.237 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCCCn1cc(Br)cn1 471293171 RSOGFHVPPIJOOI-UHFFFAOYSA-N 441.351 4.265 5 20 IIBD CCc1ccc(C(=O)Nc2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2)cc1[N+](=O)[O-] 471344845 FNTFRYPZFFFDHI-UHFFFAOYSA-N 444.447 4.008 5 20 IIBD Cc1cc(C)n(-c2ccccc2CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 472721385 JHZAMPXUYQVYIA-UHFFFAOYSA-N 449.511 4.150 5 20 IIBD CCOC(=O)[C@@H](NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C1CCOCC1 475135427 FCKQUDIPISCZAQ-NRFANRHFSA-N 448.903 4.488 5 20 IIBD CC(C)(NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)cc1 476500062 MVICZALXZXILTR-UHFFFAOYSA-N 440.681 4.001 5 20 IIBD COc1cc(C(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cc([N+](=O)[O-])c1C 480591110 HKIXMKHDXYDIOS-VBKZILBWSA-N 435.883 4.127 5 20 IIBD C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C[C@@H](C)[S@]1=O 481781780 OYRJBMMQMWEQAU-BBUILTEJSA-N 438.958 4.381 5 20 IIBD CCOc1ccc(-n2c(Sc3cc(C)c([N+](=O)[O-])cn3)nnc2-c2ccccn2)cc1 481810818 JNXWMWOKCFEPOF-UHFFFAOYSA-N 434.481 4.491 5 20 IIBD C[C@@H]1CN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@]2(CCCOC2)O1 482448620 GOVCPYMPOJHPBN-CLOONOSVSA-N 448.523 4.217 5 20 IIBD Cc1c(CNC(=O)C(=O)Nc2ccc(Br)cc2C(C)C)cccc1[N+](=O)[O-] 483824040 TYAYKXJDGVTARD-UHFFFAOYSA-N 434.290 4.044 5 20 IIBD CC(=O)Nc1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1 484593372 REJFWZVVRKXVIB-UHFFFAOYSA-N 432.480 4.138 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 485594887 QGCIMKMFOYEPKT-NJYVYQBISA-N 449.507 4.468 5 20 IIBD COC(=O)c1cc(NC(=O)c2sc(Cc3ccc(F)cc3)nc2C)c(C)c([N+](=O)[O-])c1 485955872 LNDYAPRSMXCYRY-UHFFFAOYSA-N 443.456 4.437 5 20 IIBD CSc1cccc(C(=O)N[C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)c1[N+](=O)[O-] 486418041 RVNABMQRWRLUMS-YCRPNKLZSA-N 430.526 4.372 5 20 IIBD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cccc(OCCN(C)C)c3)cc2[N+](=O)[O-])C1 487938714 ACZJKAGUSBZGKG-QZTJIDSGSA-N 440.544 4.270 5 20 IIBD CCc1ccc(-c2noc([C@@H](C)NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)n2)cc1 488173107 BNMUFEFIBTWQAH-LLVKDONJSA-N 432.383 4.300 5 20 IIBD C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 489852512 JMQOXVBPLQBNQF-OAHLLOKOSA-N 427.892 4.177 5 20 IIBD COc1cc(CN2CCC(OCc3ccccc3)CC2)c([N+](=O)[O-])cc1OCC(F)F 491181097 CBWDQERZLJKEOG-UHFFFAOYSA-N 436.455 4.429 5 20 IIBD O=C(Nc1cccn(CC(F)(F)F)c1=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 495409368 XSLJIWPITVQRFA-UHFFFAOYSA-N 446.385 4.183 5 20 IIBD COCc1nc(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c(-c2ccccc2)s1 508360557 LBISSYQAZDLNPG-UHFFFAOYSA-N 434.477 4.343 5 20 IIBD Cn1c(CCCc2cccs2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 508434568 NXEUVDHUNBWKSI-UHFFFAOYSA-N 427.530 4.008 5 20 IIBD COc1cccc(-n2ccnc2SCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 509725793 CICCRFLPEUHZII-UHFFFAOYSA-N 440.525 4.318 5 20 IIBD CC(C)(C)c1ccc2c(c1)CN(C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)CC2 510880513 NOMRGZAYZHBIKF-GOSISDBHSA-N 441.553 4.143 5 20 IIBD COC(=O)C(C)(C)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 512542022 KASXABMWYXIGEB-UHFFFAOYSA-N 425.279 4.296 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 513266315 GZLMFJMANQCEDO-HNNXBMFYSA-N 443.308 4.282 5 20 IIBD COCCN(C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])[C@@H](C)c1ccccc1 514425241 ZOTOGEANMHPSHU-AWEZNQCLSA-N 426.391 4.386 5 20 IIBD Cc1nn(-c2ccc(C(=O)NCc3ccc([N+](=O)[O-])cc3)cc2)c(C)c1Br 515624238 JGLYTBZDBBBRGV-UHFFFAOYSA-N 429.274 4.090 5 20 IIBD COC(=O)c1cc(C)nc2nc(NC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)sc12 517566719 OOWRVBFKJRPOSN-UHFFFAOYSA-N 428.470 4.244 5 20 IIBD CC[C@H](NC(=O)c1ccccc1)c1noc(CSCc2ccc(OC)c([N+](=O)[O-])c2)n1 518258035 PMRKGZWFXKHVBD-INIZCTEOSA-N 442.497 4.301 5 20 IIBD Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 518281783 HHNOTZVXSGIBSG-UHFFFAOYSA-N 447.426 4.454 5 20 IIBD COCCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)[C@H](C)c1cccc(C(F)(F)F)c1 520152208 LAKVHPYBZMSHCR-GFCCVEGCSA-N 436.390 4.340 5 20 IIBD COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C)c(OC)cc1NC(=O)c1ccccc1 520691251 IDJSGIODJTXENH-UHFFFAOYSA-N 435.436 4.425 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(-c2nnc3n2CCCC3)cc1 520914258 DUBVKZYNGDEALX-UHFFFAOYSA-N 449.514 4.388 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccc(OCC(F)(F)F)cc1 522573421 SWJWRUAFVXVDGO-UHFFFAOYSA-N 432.782 4.275 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1cn(-c2ccccc2)nc1-c1ccncc1 522763035 PCASKFGQFLBXCA-UHFFFAOYSA-N 447.882 4.355 5 20 IIBD COc1cc(F)ccc1NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 522877151 ZLAMWBVDLIRPOK-UHFFFAOYSA-N 425.203 4.487 5 20 IIBD Cc1ccc(C[C@@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c2ccccn2)cc1 523737180 MUPVRAFEAUUSHB-GOSISDBHSA-N 431.901 4.214 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F 525434315 SVETTZHCVFRXBY-UHFFFAOYSA-N 447.822 4.158 5 20 IIBD COc1cc(C(=O)Nc2c(C(=O)c3ccco3)oc3ccccc23)cc([N+](=O)[O-])c1OC 525532547 UEIDJLALJYGLRY-UHFFFAOYSA-N 436.376 4.435 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 532235961 SAUGCKRVHQNDKR-INIZCTEOSA-N 437.587 4.033 5 20 IIBD CC[C@@](C)(COc1ncccc1Cl)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 534544658 DAODHEGBKJJIQJ-SFHVURJKSA-N 427.288 4.072 5 20 IIBD Cc1cccc(-n2c(SCCn3cc([N+](=O)[O-])ccc3=O)nnc2-c2ccccc2)c1 536447034 GHGDSYUMKWWEJV-UHFFFAOYSA-N 433.493 4.105 5 20 IIBD Cc1c(C(=O)NCCNc2ncnc3ccc([N+](=O)[O-])cc23)oc2ccc(Cl)cc12 539919251 DCEUFXVRIUVDIA-UHFFFAOYSA-N 425.832 4.088 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(CCCN2CCCC2)CC1 541453119 ZFYFOVPVVSLQAP-UHFFFAOYSA-N 425.982 4.455 5 20 IIBD COc1ccc(CSCC(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] 542590390 QPKQZCLWKWHWSA-GHTZIAJQSA-N 448.516 4.354 5 20 IIBD C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(SCC(F)(F)F)cc1 542665621 HTHBWVBYNSJHJF-CYBMUJFWSA-N 448.488 4.374 5 20 IIBD COc1ccc([C@@H](Nc2ncc([N+](=O)[O-])c(C)c2Br)c2nccn2C)cc1 543435562 JLVALLCZKTWEBT-MRXNPFEDSA-N 432.278 4.004 5 20 IIBD CN(c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 543484134 SCYMYQCVKUFCCD-GHTZIAJQSA-N 438.459 4.055 5 20 IIBD O=C(CCc1nnc(-c2cc3ccccc3o2)o1)Nc1cc(Cl)cc([N+](=O)[O-])c1O 543679945 LFCHOBGFNNWKMM-UHFFFAOYSA-N 428.788 4.321 5 20 IIBD O=c1oc2cc(F)c(Br)cc2n1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F 549390126 UYLFKGFZAOKKQP-UHFFFAOYSA-N 435.127 4.471 5 20 IIBD COc1ccccc1[C@@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccccn1 551443159 WSYMBMVSAGWHPS-HSZRJFAPSA-N 432.480 4.462 5 20 IIBD CC(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 559092323 QRHALOIEJYBTBL-UHFFFAOYSA-N 429.912 4.201 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1n[nH]c(-c2ccccc2)c1Br 560994306 LIJREYGXTDZFJG-UHFFFAOYSA-N 429.274 4.062 5 20 IIBD CC(C)[C@@H](c1ccc(F)cc1)N(C)C(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 563558328 MBAIAYORBYJZKA-NRFANRHFSA-N 429.492 4.029 5 20 IIBD O=C(Nc1cc(F)c(F)cc1N1CCCCC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 564444807 XFUJPMDUCFKHFS-UHFFFAOYSA-N 445.470 4.217 5 20 IIBD O=C(Nc1ccc(Br)c(Cl)c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 567203388 MIUOKXXZSYTXNV-UHFFFAOYSA-N 426.654 4.437 5 20 IIBD COC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1cccc(Cl)c1 571362445 QZKNCSHGEGZSTG-MRXNPFEDSA-N 427.682 4.057 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)[S@@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c(Cl)c1 571816482 OIHLEBCPYUAYSZ-FZPQWHJUSA-N 447.900 4.488 5 20 IIBD COC(=O)c1cnc(N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c([N+](=O)[O-])c1 571888892 WYWZHVLABSWTJX-KRWDZBQOSA-N 439.390 4.375 5 20 IIBD CN(Cc1ccccc1Cl)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 573306432 NSNIDZCTNSWUFY-HNNXBMFYSA-N 427.892 4.180 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N[C@@H](C1CC1)C(F)(F)F 578464055 BVSDTHBKJVONHO-NRFANRHFSA-N 444.413 4.447 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 584868982 QBSXTLLPJNIDIN-FQEVSTJZSA-N 432.908 4.006 5 20 IIBD COc1cc(C(=O)Nc2ccc(Cc3ccncc3)cc2)c([N+](=O)[O-])cc1OC(F)F 585690316 VYCYNGPNWPWAED-UHFFFAOYSA-N 429.379 4.443 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1 586866247 TVPWGFBIJQUVOT-UHFFFAOYSA-N 441.491 4.216 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NCc1ccncc1OCc1ccccc1 588179431 NIVZZJOKRVNAQA-UHFFFAOYSA-N 426.860 4.222 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3cccc(Cn4ccnc4)c3)cc2[N+](=O)[O-])C1 603873631 OWJMSPYXLPMGEQ-KDURUIRLSA-N 447.539 4.252 5 20 IIBD CCOc1ccc(C(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)cc1[N+](=O)[O-] 604006589 YGXXJBWIUMVBMK-UHFFFAOYSA-N 437.427 4.315 5 20 IIBD CCOc1ccc(C2(CNC(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)CCOCC2)cc1 604368367 FPMUEKVDZULPBG-QGZVFWFLSA-N 427.501 4.102 5 20 IIBD O=C(Nc1cccc(CN2CCOCC2)c1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 604429040 VTEYCKDMUXXKOU-UHFFFAOYSA-N 432.480 4.423 5 20 IIBD Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)nnn1-c1ccc(OC(C)C)cc1 609425986 KGJPOGIOJUVJRO-UHFFFAOYSA-N 447.398 4.125 5 20 IIBD C[C@@H](NC(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1)c1cccc([N+](=O)[O-])c1 609634671 ONNGJNJPPGTODX-GFCCVEGCSA-N 435.402 4.378 5 20 IIBD CN(C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])[C@@H]1CCCN(c2ccccc2)C1 609647209 AOVCDCOTWJOSOF-MRXNPFEDSA-N 437.418 4.277 5 20 IIBD CC(C)NC(=O)[C@H]1CCC[C@H](NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 609702146 JLEBDMYICDMISB-ICSRJNTNSA-N 438.528 4.020 5 20 IIBD CC(C)(C)C(=O)c1ccsc1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 609832273 QMVCXKHGBAKVBI-UHFFFAOYSA-N 431.470 4.212 5 20 IIBD O=C(NC[C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc([N+](=O)[O-])cc1Br 610061948 XVZZVGYFLFJERB-GFCCVEGCSA-N 438.709 4.267 5 20 IIBD Cc1ccc(NCCCNC(=O)Nc2cc(Cl)ccc2N2CCOCC2)c([N+](=O)[O-])c1 610092704 ZWQPQYNUNQJUQC-UHFFFAOYSA-N 447.923 4.017 5 20 IIBD CCOc1cc(NC(=O)N[C@@H](Cn2cccn2)c2ccccc2)c([N+](=O)[O-])cc1OCC 610163294 RFQWREGNHVOFMB-SFHVURJKSA-N 439.472 4.152 5 20 IIBD COC(=O)c1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c(Br)cc1F 610182696 QXLVPECIPXTYBW-UHFFFAOYSA-N 445.628 4.118 5 20 IIBD CN(C[C@@H](O)C1CC1)C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 610670059 CLXCRXHRJDDBDK-KEWOFRHOSA-N 437.521 4.365 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1Cc2cccc(Br)c2C1 613689833 CPXAHJDKOYXVSY-UHFFFAOYSA-N 426.064 4.276 5 20 IIBD COc1cc(C(=O)N2CCN([C@@H](C)c3nc4ccccc4s3)CC2)cc([N+](=O)[O-])c1C 616192212 JIHIJQLBNXXLEG-HNNXBMFYSA-N 440.525 4.041 5 20 IIBD Cc1cc(C)c(S(=O)(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] 617225275 WDEZASPYBXMMOF-GHMZBOCLSA-N 448.385 4.399 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 619466310 LSUXNUZRFLWJMP-UHFFFAOYSA-N 444.309 4.442 5 20 IIBD COc1ccc(-c2nnc(Sc3nc4sccn4c3[N+](=O)[O-])n2CC(C)C)cc1 619670071 HXDRGUPLOIAFCA-UHFFFAOYSA-N 430.515 4.378 5 20 IIBD CC[C@H](C)n1ncc2c(C(=O)O[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)cc(C)nc21 725956961 GJDBFKNRNJZUKZ-DZGCQCFKSA-N 439.472 4.111 5 20 IIBD CCOC(=O)N(C)C1CCN(C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)CC1 726956029 ZOGIPMUMQHSXIZ-UHFFFAOYSA-N 437.562 4.426 5 20 IIBD O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)Nc1cccc(CC[C@@H](O)c2ccccc2)c1 727362714 RDYXQALFZCIYHU-HXUWFJFHSA-N 430.457 4.201 5 20 IIBD O=C(c1ccc(I)c([N+](=O)[O-])c1)N(Cc1cccs1)C1CC1 727749909 REEUNNCQDFPPOQ-UHFFFAOYSA-N 428.251 4.066 5 20 IIBD COc1ccc(CC(=O)Nc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 729412151 INDKURGVMXCUQK-UHFFFAOYSA-N 441.484 4.472 5 20 IIBD Cc1ccc(S(=O)(=O)Oc2ccc(NC(=O)c3sccc3C)cc2)cc1[N+](=O)[O-] 729485515 IXBWVCWVZUBNHA-UHFFFAOYSA-N 432.479 4.293 5 20 IIBD CC(C)Cc1noc(COC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)n1 736865038 XYHLPKWKNUIFSP-UHFFFAOYSA-N 440.243 4.026 5 20 IIBD COc1ccc(N(Cc2ccco2)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)cc1F 742031867 HCQBWWJIPBSAKW-UHFFFAOYSA-N 438.408 4.179 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(OC(F)(F)F)cc2)cc1Br 742345088 GLHFDWNFAZONOF-UHFFFAOYSA-N 442.165 4.024 5 20 IIBD O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1cc(Cl)ccc1OC[C@H]1CCCO1 743279948 CMPBXAUWCQQGSB-LVSMMTLPSA-N 428.828 4.151 5 20 IIBD Cc1ccc(CCN(Cc2ccco2)Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)cc1 743385654 REAPVVQULKUZFE-UHFFFAOYSA-N 444.491 4.422 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1c[nH]cc1-c1ccc(Cl)s1 744831549 AOWWVJQQSBJJCP-JTQLQIEISA-N 449.872 4.497 5 20 IIBD Cc1ccc(C2(C(=O)O[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CCOCC2)cc1 745003241 BJTSAWRHDXUYLS-HNNXBMFYSA-N 446.887 4.175 5 20 IIBD Cc1ccc(SCCOC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1C 745028494 JNZFERCVCSBEQW-INIZCTEOSA-N 434.539 4.213 5 20 IIBD CNc1ccc(C(=O)Nc2cccc(C)c2C(=O)NCCc2ccccc2)cc1[N+](=O)[O-] 745118385 REKQDOZQNNZMRI-UHFFFAOYSA-N 432.480 4.170 5 20 IIBD Cc1cccc(C)c1NCC(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 745297271 IJXOJUHBMUBXKJ-ZDUSSCGKSA-N 439.390 4.213 5 20 IIBD O=C(OC[C@H]1CCCN(C(=O)c2ccccc2)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 747245962 LBYOQTCPPHGQNE-AWEZNQCLSA-N 436.386 4.323 5 20 IIBD O=C(Nc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 751268844 GRVQDLPLQCGPQH-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD O=C(COC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccccc1OC(F)F 751644028 ORZVIYKBTZVAPA-UHFFFAOYSA-N 446.815 4.124 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1nnc(C2CCCCC2)s1 752197289 GFDJTKUJHHHHQM-UHFFFAOYSA-N 447.336 4.057 5 20 IIBD Cc1c(Br)cc(C(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 753655828 AGVGGQFBFBHGIM-HNNXBMFYSA-N 447.207 4.148 5 20 IIBD C[C@H]1CCN(c2ccc([N+](=O)[O-])c(N3CCS[C@H](C)CC3)c2[N+](=O)[O-])CCS1 755055019 IYEIAOLESAPEDF-UONOGXRCSA-N 426.564 4.167 5 20 IIBD C/C(=C\c1ccccc1)CN(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br 756261717 DBBZXNMOVGPWLV-UKTHLTGXSA-N 446.301 4.166 5 20 IIBD C[C@@H](OC(=O)Cc1ccc(F)cc1F)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 756622542 OEZZRRDQDQQGPB-LLVKDONJSA-N 447.419 4.109 5 20 IIBD CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[C@@H]1NC(=O)OC(C)(C)C 757364734 FXGTXDCAUZJSQF-WBMJQRKESA-N 445.438 4.379 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@@H](C)CC(=O)c1ccc(Cl)cc1 759851176 JRDOPOFVMGEBSM-QWHCGFSZSA-N 448.859 4.036 5 20 IIBD Cc1cc(F)cc(C(=O)Nc2cc(F)c(F)cc2I)c1[N+](=O)[O-] 760576772 HNTGVGCCOKXIMQ-UHFFFAOYSA-N 436.127 4.177 5 20 IIBD COc1cc(OCC(=O)Nc2ccc(CC[C@H](O)c3ccccc3)cc2)ccc1[N+](=O)[O-] 763015550 RERIZGVBCVAYIQ-QFIPXVFZSA-N 436.464 4.287 5 20 IIBD CN(C(=O)Cc1ccc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)cc1)c1ccccc1 763424511 AJCGAHZSGLXKLG-UHFFFAOYSA-N 425.391 4.331 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCC(c3ccccc3F)CC2)ccc1Br 765183997 GIOVPIVZPNCMDA-UHFFFAOYSA-N 443.294 4.065 5 20 IIBD O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCc1ccc(Oc2ccccc2)nn1 766058226 SQSUWROPHQXUIT-UHFFFAOYSA-N 448.357 4.351 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(N3CCCC3)c(Cl)c2)c2ncccc12 766362033 XKTNYHUKYIJPDF-UHFFFAOYSA-N 432.889 4.197 5 20 IIBD O=C(Nc1ccc(OS(=O)(=O)Cc2c(F)cccc2F)cc1)c1cccc([N+](=O)[O-])c1 766759672 ZTHSNCVEJYVNIR-UHFFFAOYSA-N 448.403 4.034 5 20 IIBD C[C@@H](OC(=O)c1cc(Br)ncc1[N+](=O)[O-])c1ccccc1Br 769825384 ITODMLIKNNKBAH-MRVPVSSYSA-N 430.052 4.433 5 20 IIBD CCCN(C(=O)c1ccccc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(C)C 771515624 UKMUZLJCXIIBHI-UHFFFAOYSA-N 435.484 4.293 5 20 IIBD Cc1cc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])n([C@H]2CCN(Cc3ccccc3)C2)n1 772268910 VGPPMBRWINHWNL-SFHVURJKSA-N 439.903 4.452 5 20 IIBD O=[N+]([O-])c1ccc(OC[C@H](O)c2ccc(F)c(Br)c2)c(Br)c1 774644537 APYXMBWTJADYNT-ZDUSSCGKSA-N 435.043 4.371 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC(O)(c2c(F)cccc2F)CC1 779244158 USZZWQBWVDQPHW-UHFFFAOYSA-N 430.329 4.016 5 20 IIBD CSc1nc2ccc(NC(=O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)cc2s1 783889923 PPCVCKILXAJVHX-UHFFFAOYSA-N 444.538 4.302 5 20 IIBD Cc1ccc(F)c(C(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1Br 785111849 FLHVKZWLNKEDLK-UHFFFAOYSA-N 445.628 4.254 5 20 IIBD CC(C)(C)C(=O)Nc1ccc(C(=O)COC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 785938058 YGVQIXOQUCEGEX-UHFFFAOYSA-N 432.860 4.201 5 20 IIBD C[C@H](OC(=O)c1cc(O)ccc1C(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 787545696 BSAGPUBUIPTXIV-QMMMGPOBSA-N 432.738 4.157 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)OCC(=O)Nc2ccc(Br)cc2Cl)c1F 787944317 OBXCUVGMLWBOQN-UHFFFAOYSA-N 445.628 4.254 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 790197331 UYPJMFDTPQMYLA-KGLIPLIRSA-N 447.875 4.192 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)[C@H]1CC(c2cccnc2)=NO1 790799409 GQHVDWVRJBYXSW-MRXNPFEDSA-N 426.479 4.334 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 791526562 VIJKXBVLEWZSKS-NRFANRHFSA-N 448.387 4.314 5 20 IIBD CSc1cccc(NS(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])c1C 795343817 PQSDEMFDCKCMKG-UHFFFAOYSA-N 435.296 4.328 5 20 IIBD Cc1ccc(NC(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)cc1[N+](=O)[O-] 797606665 JGHZSIJPBQHMCT-GOSISDBHSA-N 426.473 4.074 5 20 IIBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc(Sc2nncs2)c(Cl)c1 801874340 CNXTWFIEJKYJSO-UHFFFAOYSA-N 425.854 4.225 5 20 IIBD O=C(OCc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 803210017 KOXSZXIBQHMOCN-CYBMUJFWSA-N 438.814 4.122 5 20 IIBD COc1cc(C(=O)O[C@H](C)c2nncn2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 805361608 WRXAWGCLEWGTKA-LLVKDONJSA-N 432.820 4.096 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(Cl)c(SC(=O)N(C)C)c1 808117343 OGFQXYFOJGOUEB-UHFFFAOYSA-N 429.907 4.131 5 20 IIBD CN(C(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12)c1ccc([N+](=O)[O-])nc1 808794653 LGWWPBVSZPHFEK-UHFFFAOYSA-N 442.431 4.253 5 20 IIBD C[C@@H](OC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(S[C@@H]2CCCCNC2=O)cc1 809044723 BWUOTZYFCRKOSL-FOIQADDNSA-N 428.510 4.203 5 20 IIBD COc1cc(Cc2noc(-c3cc([N+](=O)[O-])cc(Br)c3C)n2)ccc1[N+](=O)[O-] 809434507 BWHCZUBNGKNZRA-UHFFFAOYSA-N 449.217 4.223 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)OCCc1cncs1 811126697 WJHXOQAPKDOFEQ-UHFFFAOYSA-N 434.477 4.232 5 20 IIBD O=C(CCC(F)(F)F)N1CCC[C@@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 811505846 IWDPNMXPLSYFBV-GFCCVEGCSA-N 428.238 4.325 5 20 IIBD COc1ccc([C@@H](CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])N2CCCC2)cc1 812830977 GQHVEVJELBAANI-GOSISDBHSA-N 438.311 4.477 5 20 IIBD CCOc1cc(NC(=O)NC[C@H]2CCN(c3ccccc3F)C2)c([N+](=O)[O-])cc1OCC 812918855 FHDIVIXSYOKIAY-OAHLLOKOSA-N 446.479 4.179 5 20 IIBD CSc1nc(C)c(CCC(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)c(C)n1 815176186 ZVVBWDGDFHZGKE-UHFFFAOYSA-N 429.420 4.418 5 20 IIBD C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](OC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1=O 816400331 DIAFTRIVIRSAJV-ORAYPTAESA-N 425.416 4.124 5 20 IIBD O=C(Nc1ccccc1[C@H](O)c1ccccn1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 819596228 SKEKYEWPBOHMOJ-FQEVSTJZSA-N 432.461 4.447 5 20 IIBD Cc1ncc(-c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3I)cc2)o1 915279164 RXJXREPPGCAKAN-UHFFFAOYSA-N 449.204 4.415 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)O[C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)c1 915440284 VCXFNTNINZMCJH-JKSUJKDBSA-N 440.452 4.227 5 20 IIBD Cc1c(C(=O)OCC(=O)N(c2ccccc2)C2CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 919225471 HLXSUFKFMYZMRX-UHFFFAOYSA-N 441.440 4.334 5 20 IIBD C[C@H](Nc1ccc(C(=O)Oc2cccc(C(=O)N(C)C)c2)cc1[N+](=O)[O-])c1ccccn1 920115883 NXPUJOMZCJRPOV-HNNXBMFYSA-N 434.452 4.084 5 20 IIBD C[C@@H](OC(=O)CNc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1Oc1ccccc1 920602949 IMXKCWKFEPIIGD-MRXNPFEDSA-N 435.436 4.369 5 20 IIBD COc1ccccc1N1C[C@@H](C(=O)OCc2nc3ccccc3c3ccccc23)CC1=O 921252102 LUKUVWFJEDECBG-KRWDZBQOSA-N 426.472 4.493 5 20 IIBD CNc1ccc([N+](=O)[O-])cc1C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 1115887019 PDWLEYXFBFHGDO-UHFFFAOYSA-N 437.418 4.134 5 20 IIBD Cc1ccc(OS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c2c1[C@H](C)CC2=O 1321804760 VBIOTQZTHIUDMO-SNVBAGLBSA-N 440.271 4.123 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)c1nnc(COc2ccccc2[N+](=O)[O-])o1 1326514982 YOOWIRDGPCWNHZ-JTQLQIEISA-N 425.367 4.084 5 20 IIBD O=C1CCCN1c1cc(-c2nnc(COc3ccccc3[N+](=O)[O-])o2)cc(C(F)(F)F)c1 1341396698 DQXLCRAVDBLLCT-UHFFFAOYSA-N 448.357 4.369 5 20 IIBD CC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CCCC1 1793073832 AYEIXSHJPOWVBN-BCDXTJNWSA-N 433.936 4.009 5 20 IIBD CC1(C)CCC(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(O)c([N+](=O)[O-])c2)C3)CC1 1800234411 NKZMLOWNOZBQPN-REPLKXPHSA-N 443.544 4.159 5 20 IIBD Cc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] 1801752305 LAHFCIHKTSCXNQ-TWHAJKEOSA-N 449.551 4.278 5 20 IIBD O=C(CC1CCC1)Nc1cc([C@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)[nH]n1 1823426340 LGIPPDCWCNRNKC-HXUWFJFHSA-N 439.516 4.133 5 20 IIBD CC/C=C(\C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1824278198 AAACFHMOJJLORJ-FABZHXBNSA-N 429.517 4.177 5 20 IIBD Cc1nc(Cc2nnc(S[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)o2)cs1 11105062 VXKIUPPJNVJUDK-MRVPVSSYSA-N 439.906 4.106 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)COc1cc(Cl)c(Cl)cc1Cl 11423274 DSDOEYLOJRYXTE-UHFFFAOYSA-N 447.658 4.424 5 20 IIBD COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)ccc1C 18657956 AFQGQYJEEPPGHE-NSHDSACASA-N 426.347 4.115 5 20 IIBD COc1cc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc1NC(=O)c1cccnc1 26244000 DVVJZMPEKKOAMZ-UHFFFAOYSA-N 426.816 4.156 5 20 IIBD O=C1NCc2ccc(N[C@H](C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c3ccccc3)cc21 58472939 HFNNTBNRDVJKGV-FQEVSTJZSA-N 436.855 4.284 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)c1 60403590 SHFPKCDJMJSWKY-UHFFFAOYSA-N 433.892 4.350 5 20 IIBD CC(C)CCOc1cccc(NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c1 64547212 AEMALFVWVPEAER-UHFFFAOYSA-N 446.529 4.071 5 20 IIBD COc1cc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)ccc1N1CCCC1=O 64898741 UATKCHNAPVRWND-UHFFFAOYSA-N 438.465 4.106 5 20 IIBD CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nc2sc3c(c2c1=O)CCCC3 216418850 NZDBTPDFDLWXJQ-UHFFFAOYSA-N 429.523 4.240 5 20 IIBD O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 301353661 JTWNMELPTSFEFM-NSHDSACASA-N 426.807 4.100 5 20 IIBD C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] 409526171 ZIZVZXFDUWKELZ-GFCCVEGCSA-N 446.376 4.300 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@@H](n2ncc3ccccc32)C1 426273308 FZHHQMOZZWVXKW-MRXNPFEDSA-N 433.390 4.120 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 426282265 RLBBTTHKQVWZFM-KRWDZBQOSA-N 445.344 4.175 5 20 IIBD CN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 427426582 CLICIGMOXBSUAW-NRFANRHFSA-N 448.870 4.086 5 20 IIBD COC(=O)c1cc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc(Br)c1F 432361848 ZPUXRNPDROGHAB-UHFFFAOYSA-N 436.193 4.017 5 20 IIBD CCC(CC)c1nnc(NS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)s1 437179089 HYHABPNMEBXJBY-UHFFFAOYSA-N 449.352 4.222 5 20 IIBD O=C(Cn1nc(-c2ccccc2)ccc1=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 440596428 GTXJDTQDFOBFNO-UHFFFAOYSA-N 440.459 4.052 5 20 IIBD COc1ccc(NC(C)=O)cc1N(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(C)C 441584987 KWEQDZWQLAJPTJ-UHFFFAOYSA-N 437.399 4.218 5 20 IIBD CCOC(=O)c1ccc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c(O)c1 444245706 KNAJITKWSZEEGW-UHFFFAOYSA-N 438.386 4.094 5 20 IIBD COC(=O)[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccc(Cl)c(F)c1 444282888 BGKIWMDCVGZDLZ-FQEVSTJZSA-N 438.842 4.118 5 20 IIBD O=C(NCc1cccc(COCc2ccccc2)c1)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444854750 SKPIIGXORUSFLQ-UHFFFAOYSA-N 445.479 4.187 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 446012899 RBKRFUKQVYJZTD-HKUYNNGSSA-N 437.265 4.075 5 20 IIBD Cc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)sc1Cc1cccc(F)c1 446100708 VDKPDBAXXPYDKO-UHFFFAOYSA-N 447.513 4.426 5 20 IIBD NC(=O)c1ccccc1Oc1ccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 447050686 OTKWFWUDRVZUHB-UHFFFAOYSA-N 432.436 4.076 5 20 IIBD Cc1nc(CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(F)c(F)c2)sc1C 447345954 AOWWMUSEJQTGQC-UHFFFAOYSA-N 439.465 4.342 5 20 IIBD C[C@H](O)CCCNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 447621782 XKEOTAFEZYENMT-XOAFGZPJSA-N 425.510 4.412 5 20 IIBD COc1cc(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1OCc1cscn1 460577376 SKTOKVRUJACEID-RRFJBIMHSA-N 431.514 4.338 5 20 IIBD CC1(C)[C@H](Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])[C@H]2CCCO[C@H]21 462916261 ZRPJNSNEEUNJPA-NSISKUIASA-N 431.514 4.011 5 20 IIBD Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)cccc1OCC(F)(F)F 463520909 YHVXTTUNAHFZOY-UHFFFAOYSA-N 441.387 4.193 5 20 IIBD CCOc1cc(NC(=O)c2cc(COc3ccccc3F)on2)c([N+](=O)[O-])cc1OCC 464563794 PMUGVIFTXXAJRF-UHFFFAOYSA-N 445.403 4.351 5 20 IIBD O=C(CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)NCC1(c2ccccc2)CCCC1 464780543 QTOPJGBDHDLRFH-UHFFFAOYSA-N 437.540 4.066 5 20 IIBD CC(C)CO[C@H](C)c1noc(CN(C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 465199652 XJRFOMFSYFMJCO-CYBMUJFWSA-N 445.501 4.107 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 466280960 NZGAXGXMJFRIGE-PBVNKPPYSA-N 445.947 4.072 5 20 IIBD CC(C)(C(=O)NCc1cnn(-c2ccc(Br)cc2)c1)c1ccc([N+](=O)[O-])cc1 470318232 MIBXKPBXQLABGE-UHFFFAOYSA-N 443.301 4.137 5 20 IIBD COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 470778434 GLFJBLOPAXLNTF-KRWDZBQOSA-N 438.383 4.213 5 20 IIBD NC(=O)C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cccc(Cl)c1 475220120 PNYKNRUUHBTFJH-CYBMUJFWSA-N 430.770 4.005 5 20 IIBD COc1c(C(=O)Nc2ccc(Oc3cccc(S(C)(=O)=O)c3)cc2)cccc1[N+](=O)[O-] 476076262 AQUAPGKQMOBGHL-UHFFFAOYSA-N 442.449 4.052 5 20 IIBD COc1cc(C(=O)N[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)c([N+](=O)[O-])cc1OC(F)F 478193012 NSUNCZOLDMNOGT-WCQYABFASA-N 444.337 4.092 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](CO)c1c(Cl)cccc1Cl 478488825 HHVFFRYWEPDEJH-RNCFNFMXSA-N 433.675 4.172 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccs1)N1CCOCC1 478965948 YXLUJHKUIHBDAN-SFHVURJKSA-N 449.598 4.208 5 20 IIBD COC(=O)C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(C(F)(F)F)cc1 479393424 RWTNRSDTTXCMFU-MRXNPFEDSA-N 444.793 4.230 5 20 IIBD Cc1c(CNC(=O)NCCc2c[nH]c3ccc(Br)cc23)cccc1[N+](=O)[O-] 479747288 VJRKPWSCAZHJSH-UHFFFAOYSA-N 431.290 4.189 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 482616539 VAEDROISGYOARO-UHFFFAOYSA-N 436.512 4.428 5 20 IIBD C[C@@]1(c2ccc(F)cc2)CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 483408051 NRKLDGDNSGJTDA-LJQANCHMSA-N 436.281 4.099 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 483599149 ZMSJEAPMQBNOHH-SIKLNZKXSA-N 427.932 4.304 5 20 IIBD O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCN(CC(F)(F)F)CC1 486845229 LXSYDFHPXWGQIS-UHFFFAOYSA-N 425.432 4.066 5 20 IIBD CCc1nc2c(s1)[C@H](N(C)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C)CCC2 486875991 YCCWXDDTEQWJQC-OAHLLOKOSA-N 432.502 4.250 5 20 IIBD CC[C@@H](NC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C)c1nc(C(F)(F)F)cs1 486879020 HPFLBABSZXDELF-SNVBAGLBSA-N 446.407 4.438 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@@H](Cc2ccc(C)cc2)c2ccccn2)c(C)c([N+](=O)[O-])c1 486883900 RKFVRWVNVDYGLR-NRFANRHFSA-N 448.479 4.499 5 20 IIBD O=C1Nc2cc(Cl)ccc2[C@@H]1C1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 486920862 PGBKIWMKMHXFON-SFHVURJKSA-N 439.859 4.251 5 20 IIBD O=C(NCc1ccc(OCc2ccccn2)cc1)c1cc([N+](=O)[O-])ccc1OC(F)F 487786732 ZEYHJBPBGKKEFK-UHFFFAOYSA-N 429.379 4.100 5 20 IIBD COc1ccccc1[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccn1 488341522 BPKALJKRJMIOEE-OAQYLSRUSA-N 440.887 4.283 5 20 IIBD CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 488388657 XMNDSZJWRDKNQC-LJQANCHMSA-N 444.963 4.344 5 20 IIBD CC(C)Oc1ccc([C@H](CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])N(C)C)cc1 491085409 RXHJWURLEQZKNE-NRFANRHFSA-N 428.533 4.219 5 20 IIBD COc1c(S(=O)(=O)N(C)c2cc(C)ccc2C)cc(Br)c(C)c1[N+](=O)[O-] 491592682 XVVOMUJNBQFEMQ-UHFFFAOYSA-N 443.319 4.116 5 20 IIBD CCOc1ccc(C(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)cc1[N+](=O)[O-] 497993560 LOBKIVKMBNFBJM-HNNXBMFYSA-N 433.302 4.461 5 20 IIBD COc1cc(C(=O)N2CCOC3(CCC3)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 498824258 PNKDYQAIOKUMQM-UHFFFAOYSA-N 432.860 4.444 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CCCc3cc(Cl)ccc32)ccc1[N+](=O)[O-] 500230757 LPRXBEXQKKBPRW-FQEVSTJZSA-N 427.888 4.141 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCN(c2cncc3ccccc23)CC1 505249079 KPQXBDNHQAXGFB-UHFFFAOYSA-N 430.386 4.124 5 20 IIBD O=C(Nc1ccc2cccc(Cl)c2n1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 505424426 ZNLXRJKMOCVSNX-ZDUSSCGKSA-N 430.873 4.101 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 506072359 SSKDOAADUFIERI-HOYKHHGWSA-N 445.523 4.292 5 20 IIBD CCn1c2ccccc2c2cc(NC(=O)C(=O)NCCc3ccc([N+](=O)[O-])cc3)ccc21 506458599 DVVVNTORSZIUJY-UHFFFAOYSA-N 430.464 4.020 5 20 IIBD O=c1onc(-c2ccc([N+](=O)[O-])cc2)n1Cc1csc(COc2ccc(Cl)cc2)n1 509054120 VJRNETLLCBADAO-UHFFFAOYSA-N 444.856 4.149 5 20 IIBD COC(=O)c1cc(C(=O)Nc2cc(Cl)ccc2Sc2nccn2C)cc([N+](=O)[O-])c1 509201561 XBFREWOVVCKOQO-UHFFFAOYSA-N 446.872 4.172 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)c([N+](=O)[O-])c1 509552883 GIMDDGDNZCARQI-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2 511283068 DZCUYVGGENPPLS-LLVKDONJSA-N 436.262 4.320 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)NCCCOC[C@H]3CCCO3)cc2[N+](=O)[O-])cc1 512347442 SRSBQAMZRXKCIO-GOSISDBHSA-N 430.526 4.370 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 513013929 CKIXADULTULZFZ-HSZRJFAPSA-N 431.492 4.157 5 20 IIBD CC[C@H]1C[C@@H](CC(=O)N(CCOC)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CCO1 514145083 SZEXETVGIXRWLS-YJBOKZPZSA-N 433.530 4.293 5 20 IIBD Cc1ccc(C(=O)N2CCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])CC2)cc1F 515555292 ZGWHLHIEPIFTFC-UHFFFAOYSA-N 447.466 4.236 5 20 IIBD CCN1CCN(C(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)CC1 516371266 AHFZRCQANQHWCG-OBGWFSINSA-N 436.537 4.299 5 20 IIBD CCN(C[C@@H]1CCCO1)C(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 520992371 KXBMYHIDACSAEC-INIZCTEOSA-N 428.510 4.189 5 20 IIBD O=C(NCc1cn2ccsc2n1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 521341640 HKELEZIHDXNLLE-UHFFFAOYSA-N 441.900 4.500 5 20 IIBD C[C@@H](Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C(=O)NC[C@@H]1COc2ccccc2O1 522717302 TXZPVWMXSBMIDF-IIBYNOLFSA-N 449.463 4.144 5 20 IIBD CCOC(=O)c1cc(F)c(F)cc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 525011500 KNZXGYXGXLCKEQ-UHFFFAOYSA-N 448.300 4.243 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCc1ccc(Oc2cccc(Cl)c2Cl)cc1 525607299 CKJGEGQPIYJTBG-UHFFFAOYSA-N 448.262 4.172 5 20 IIBD CC(C)c1oc([C@@H]2CCCN2S(=O)(=O)c2cccnc2[N+](=O)[O-])nc1-c1ccccc1 530616267 RCQQKLLHLRCHGJ-INIZCTEOSA-N 442.497 4.294 5 20 IIBD O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3nnc(-c4ccc(Cl)cc4Cl)o3)C2)nc1 532707072 LUCOYUUAQVEGJH-LBPRGKRZSA-N 435.271 4.033 5 20 IIBD CN(C)c1cccc(CN[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)n1 532856024 MDFJYGYLXIVRRV-OAQYLSRUSA-N 439.903 4.179 5 20 IIBD COc1ccc(C2=NN(C(=O)COc3ccc(C)c([N+](=O)[O-])c3)[C@H](c3ccco3)C2)cc1 535125254 QFSIQZQBNKELKA-NRFANRHFSA-N 435.436 4.262 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[C@@H](Oc2cccc(Cl)c2)C1 536247553 FLCXGAFPDCTSDT-LJQANCHMSA-N 429.904 4.145 5 20 IIBD CCn1c(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)nc2cc(Cl)ccc21 537810675 SYLLCVWOBMTXPM-UHFFFAOYSA-N 425.832 4.184 5 20 IIBD COc1ccccc1COC1CCN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 539881733 VKZVHAWXXMJSFA-QGZVFWFLSA-N 427.501 4.364 5 20 IIBD CCOc1ccc([C@H](C)Nc2cccc(CS(=O)(=O)N[C@H](C)CC)c2)cc1[N+](=O)[O-] 540827472 XIVZXGBMFCVMFX-CVEARBPZSA-N 435.546 4.385 5 20 IIBD CCCc1c(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)cnn1-c1ccccc1 541244317 SOOATKBBKKAJPS-UHFFFAOYSA-N 431.452 4.299 5 20 IIBD O=[N+]([O-])c1ccccc1CN(C1CC1)S(=O)(=O)c1ccc(Cl)cc1Br 541534755 XZCINRBQNXQWLP-UHFFFAOYSA-N 445.722 4.364 5 20 IIBD O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCc2c(Br)ccc(F)c2C1 542571922 REJLMXUVAXBROB-UHFFFAOYSA-N 430.233 4.243 5 20 IIBD C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1)c1ccc([N+](=O)[O-])cc1F 544399027 KEUYSPLQQIWBAR-HXOBKFHXSA-N 449.482 4.228 5 20 IIBD CCCc1c(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cnn1-c1cc(C)ccn1 545848139 UHAMHJAJMVKFOO-UHFFFAOYSA-N 425.464 4.492 5 20 IIBD O=C1CCCN1c1cccc(-c2noc(CCOc3ccc(Cl)cc3[N+](=O)[O-])n2)c1 546984590 GOVDWDRJWFGYMJ-UHFFFAOYSA-N 428.832 4.047 5 20 IIBD O=[N+]([O-])c1ccc(-n2cc(-c3nc(-c4ccc(Oc5ncccn5)cc4)no3)cn2)cc1 547042591 ZIDMZKGFVWUDST-UHFFFAOYSA-N 427.380 4.080 5 20 IIBD O=[N+]([O-])c1ccc(OC2CCN(c3nnc(C4CC4)n3CCc3ccccc3)CC2)cc1 549165107 DCYXWFBCNPGZPS-UHFFFAOYSA-N 433.512 4.354 5 20 IIBD CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 551474431 HKBLVMSEGNJOCU-BFUOFWGJSA-N 447.919 4.377 5 20 IIBD CC(F)(F)c1ccc(-c2noc(CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)n2)cc1 555017532 JLVGIQQWKNTTIM-UHFFFAOYSA-N 430.367 4.297 5 20 IIBD C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] 555726873 GTKMVWJBBUYRLT-QGZVFWFLSA-N 438.528 4.006 5 20 IIBD O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCC[C@@](O)(C(F)(F)F)CC1 557618813 FZXWMYZNXXMVGU-FQEVSTJZSA-N 438.402 4.093 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CC[C@H](n3cc(Cl)cn3)C2)cc1[N+](=O)[O-])c1ccccn1 576914482 XOSLMHGTPCXHFI-YOEHRIQHSA-N 440.891 4.100 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC[C@@H]1c1cccc(Br)c1 581637238 LVAVVIJBGSRHPT-MRXNPFEDSA-N 425.304 4.024 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccnn1Cc1ccc(F)cc1 581740248 OKISEYZCSLMBKO-UHFFFAOYSA-N 433.237 4.302 5 20 IIBD CC1(C)CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCN1Cc1ccccc1 591370317 MGPRTJFDCAFGHK-UHFFFAOYSA-N 439.559 4.278 5 20 IIBD COc1cccc(CO[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)c1 603636658 LOLZJHXDHHEHPI-MRXNPFEDSA-N 434.448 4.378 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1nc(C(F)(F)F)cs1 603649665 OMEIUDRLVYHSFM-UHFFFAOYSA-N 443.329 4.323 5 20 IIBD Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)C2)c1 603785060 TWYKVMBTLZZNJJ-HNNXBMFYSA-N 447.438 4.304 5 20 IIBD CCC(=O)Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c1 603813112 QLQIRXSTFRFESX-UHFFFAOYSA-N 432.480 4.485 5 20 IIBD COc1cc([C@@H](C)NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1OC1CCCC1 604036556 RWKIFGDHXJKOMF-OAHLLOKOSA-N 434.514 4.273 5 20 IIBD C[C@H](c1ccco1)N(C)C(=O)c1ccc(C(=O)N(C)[C@H](C)c2ccco2)c([N+](=O)[O-])c1 609043941 IFYOPKKIIFMIRF-HUUCEWRRSA-N 425.441 4.447 5 20 IIBD Cc1[nH]nc(C(=O)N(Cc2ccc(Cl)c(Cl)c2)C[C@@H](C(C)C)N(C)C)c1[N+](=O)[O-] 609170751 YZAIRYWIMLVGHC-INIZCTEOSA-N 442.347 4.162 5 20 IIBD O=C(Nc1ccnn1[C@@H]1CCCc2ccccc21)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609550830 CFXHKZXCUXWXDY-HXUWFJFHSA-N 429.436 4.223 5 20 IIBD Cc1cccc(C)c1NC(=O)[C@H](C)SCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 609770664 HPUMFNLQMHIZJZ-HNNXBMFYSA-N 429.498 4.270 5 20 IIBD C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 609783553 PHUYFEITYDXSIU-AWEZNQCLSA-N 444.944 4.306 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N3CCC[C@H]3c3cccc(N(C)C)c3)cc2)c(C)c1[N+](=O)[O-] 609794286 LSKZMOHWDQPPHW-QHCPKHFHSA-N 447.539 4.500 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)cc([N+](=O)[O-])c1 609978476 MUFWAEJYWQBGAZ-UHFFFAOYSA-N 426.347 4.273 5 20 IIBD CC(C)CCSc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1[N+](=O)[O-] 610177611 BYXSKQHFIMNHFL-LPHOPBHVSA-N 442.603 4.161 5 20 IIBD COc1ccc([C@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])c2ccccc2Cl)c(C)c1 610269399 YDFOXTSMWWUCCS-IBGZPJMESA-N 447.900 4.028 5 20 IIBD CN(C)C(=O)COc1cccc(NCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)c1 610271675 OQWNLNKBQTVTAN-UHFFFAOYSA-N 434.496 4.442 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Cc2cccc(OC)c2)CC1 612335064 CQPRKVGFDNABMG-UHFFFAOYSA-N 444.553 4.437 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1Cc2cccc(Br)c2C1 613689271 GTZOZEJZGNZKEB-UHFFFAOYSA-N 440.091 4.205 5 20 IIBD O=C(Nc1ccccc1SCC(F)(F)F)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 618745519 XAWAPPDLRCLOGI-UHFFFAOYSA-N 429.424 4.315 5 20 IIBD COc1cccc2c1OC[C@H](NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])C2 619652339 UXULWRJUEJNICH-MRXNPFEDSA-N 436.489 4.488 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)O[C@H]2CCc3ccc(Cl)cc32)ccc1[N+](=O)[O-] 727961391 MMDGDMVPIUPVNM-PMACEKPBSA-N 428.872 4.392 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)c1cc([N+](=O)[O-])ccc1Br 729119283 LBXHZAXUNMCUAF-UHFFFAOYSA-N 439.218 4.410 5 20 IIBD Cc1cc(=O)c(C(=O)N[C@@H](C)c2csc3ccccc23)nn1-c1ccccc1[N+](=O)[O-] 729958161 DFNCLUQFZNTUOE-AWEZNQCLSA-N 434.477 4.155 5 20 IIBD CC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2cc([N+](=O)[O-])c(F)cc2F)NC(=O)N1C 731420609 BZDLLXTZIMUNKG-KRWDZBQOSA-N 436.802 4.135 5 20 IIBD O=C(OCc1ccccc1)[C@@H]1CCCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 731583837 VIEVFTIDZJEJSY-IBGZPJMESA-N 437.477 4.066 5 20 IIBD C[C@@H](OC(=O)Cc1ccc(Cl)cc1Br)C(=O)Nc1cccc([N+](=O)[O-])c1 733605290 JHILEIRRDPUJIG-SNVBAGLBSA-N 441.665 4.124 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cccc(Oc2nccs2)c1 736917377 FFPJURJCDWUCED-LBPRGKRZSA-N 443.437 4.036 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H](c1ccccc1)C1CCOCC1 742297366 ZJAIGFMRTSGZMD-QGZVFWFLSA-N 445.324 4.348 5 20 IIBD CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c1 745171207 FMVSPQOPTUQVPK-CYBMUJFWSA-N 447.875 4.417 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(C3CCCCC3)s2)c(C(F)(F)F)c1 746597559 LPDIFKBQTRBEJT-UHFFFAOYSA-N 436.437 4.314 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1I)N1CCc2ccc(Cl)cc21 746795283 ZQYVRHYIIGYDHU-UHFFFAOYSA-N 428.613 4.056 5 20 IIBD CCS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2ccc([N+](=O)[O-])cc2F)c1Cl 746982264 MFFOFCICQIJCHL-UHFFFAOYSA-N 436.244 4.191 5 20 IIBD Cc1c(C(=O)Nc2cc(Cl)ccc2N2CCSCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 748662383 CCFVSNDWWXXKJC-UHFFFAOYSA-N 436.877 4.270 5 20 IIBD COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)c1cc([N+](=O)[O-])ccc1Br 751088313 FEDYZEDPLAHZMD-INIZCTEOSA-N 449.301 4.187 5 20 IIBD CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])c(Br)cc2F)cc1 751692027 YVJYKVSCDVKDBQ-SNVBAGLBSA-N 439.237 4.243 5 20 IIBD O=C(CC[C@@H]1CCOC1)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 751708534 HJOXSSXQTBSVFF-JLTOFOAXSA-N 432.860 4.288 5 20 IIBD COc1ccc(C(=O)CCC(=O)OCc2ccc([N+](=O)[O-])cc2Br)cc1F 751849735 RGSIRQAVQGYRRV-UHFFFAOYSA-N 440.221 4.211 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 752097952 CWVHXKJHHGUJAY-SIKLNZKXSA-N 441.528 4.299 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Oc2ccc(-c3noc(C4CC4)n3)cc2)cc1[N+](=O)[O-] 752247192 LYAPKNFWTRPROT-UHFFFAOYSA-N 435.845 4.252 5 20 IIBD Cc1cc(Cl)c(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cc1Cl 752857036 GKTSHZGVPKJCIX-JTQLQIEISA-N 426.231 4.341 5 20 IIBD C/C(=C\C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccccc1OC(F)F 753544682 VIMAOXBRRYYQIU-GETOMWPZSA-N 434.395 4.478 5 20 IIBD CN1C(=O)CC[C@H](COC(=O)CCc2cccc([N+](=O)[O-])c2)[C@H]1c1cccc(Cl)c1 756289486 HEQHQFPMGQSWKR-VGOFRKELSA-N 430.888 4.334 5 20 IIBD Cc1ccc(Cl)cc1NC(=O)COC(=O)Cc1ccc([N+](=O)[O-])cc1Br 756530017 WSZGOXHJHSLZEO-UHFFFAOYSA-N 441.665 4.044 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)COc3ccc([N+](=O)[O-])c4ccccc34)cc2)C[C@H](C)O1 756880950 GLYNLUHLGCJRQJ-IRXDYDNUSA-N 435.480 4.379 5 20 IIBD Cc1nc(COC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)oc1-c1ccc(Cl)cc1 757031768 KXMSVDHTZNVQJC-UHFFFAOYSA-N 439.815 4.149 5 20 IIBD COCCOc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2Br)cc1Cl 758124934 IOCQBFDTHGZMAU-UHFFFAOYSA-N 429.654 4.288 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1COCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl 762761686 KIIYLEBVJKTNEU-YTQUADARSA-N 439.940 4.142 5 20 IIBD C[C@@H](OC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C(=O)N(C)Cc1c(F)cccc1Cl 762906488 KJBHCEKKQIDYLJ-LLVKDONJSA-N 433.823 4.073 5 20 IIBD O=C(Nc1cnc(Br)c(Br)c1)c1ccc([N+](=O)[O-])c(Cl)c1 764282921 MRWJRBMCFUMYBZ-UHFFFAOYSA-N 435.459 4.421 5 20 IIBD O=C(CCNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)OCc1ccccc1 764751345 NRVNEKREUVGLRL-UHFFFAOYSA-N 428.510 4.493 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN(C)CCOc2cccc(C)c2)c1=S 764945327 OGWMJAANEKNOQF-UHFFFAOYSA-N 427.530 4.286 5 20 IIBD O=C(OCc1nnc(-c2ccccc2)s1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 766697104 LTEDXIDAHCHKID-UHFFFAOYSA-N 439.371 4.411 5 20 IIBD COc1cc(N2CCC(OC(=O)c3cc(NC(C)=O)ccc3Cl)CC2)ccc1[N+](=O)[O-] 768178170 XYYRFRRAARKREA-UHFFFAOYSA-N 447.875 4.041 5 20 IIBD O=C(NC[C@H](O)c1ccc(-c2ccccc2)cc1)c1cc([N+](=O)[O-])ccc1OC(F)F 768551581 HQFCAEKXJSOSMW-IBGZPJMESA-N 428.391 4.327 5 20 IIBD CCCn1c(SCC(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nc2ccccc21 770411551 CVKKGTAVPCLTJE-AWEZNQCLSA-N 442.497 4.017 5 20 IIBD O=C(O[C@@H]1CCO[C@@]2(CCOC2)C1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 774938364 CWNLJIJSOLWIMU-VGSWGCGISA-N 446.887 4.355 5 20 IIBD O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 776586737 HQVSNPFJZSYFCS-RTBURBONSA-N 438.311 4.428 5 20 IIBD CSc1cccc(C(=O)O[C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)c1[N+](=O)[O-] 777073612 JYYDSRWKHSNZBT-STQMWFEESA-N 428.466 4.486 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CC[C@@](O)(c2ccc(F)cc2)C1 777492209 MVAORDPRZIHDRB-DEOSSOPVSA-N 435.455 4.080 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)[C@H]1CCN(c2ccccc2Br)C1=O 778781164 WMNXINHBRJDRAN-ZFWWWQNUSA-N 447.285 4.323 5 20 IIBD O=C(COC(=O)c1coc(-c2ccc(Br)cc2F)n1)c1ccc([N+](=O)[O-])cc1 778895852 NTWAXAUGXDFVRZ-UHFFFAOYSA-N 449.188 4.191 5 20 IIBD COc1cc(COC(=O)Cc2c[nH]c3ccc(F)cc23)c([N+](=O)[O-])cc1OCC(F)F 780068355 PTYIBBTWDGVUDN-UHFFFAOYSA-N 438.358 4.154 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H](NC[C@H]1CCC=CO1)c1ccccc1 780331959 HQXIQDHLUGNSIX-VQIMIIECSA-N 446.301 4.319 5 20 IIBD O=C(Nc1ccc(OC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cc1)c1ccc(F)cc1 781645645 HTSNFMOCHQCKNV-NRFANRHFSA-N 449.394 4.085 5 20 IIBD CC1=C(C(=O)Nc2ccc(C)cc2Cl)[C@H](c2ccc([N+](=O)[O-])s2)NC(=S)N1C 782243676 BGPOKMMJJUIHGE-INIZCTEOSA-N 436.946 4.392 5 20 IIBD O=C(COC(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)NC[C@@H]1CCCO1 785639801 KKORKYNXTOMCEN-FQEVSTJZSA-N 443.499 4.385 5 20 IIBD Cc1nc2c(cnn2C(C)C)cc1C(=O)O[C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 787023562 AIEAXPWKHXJTQC-KRWDZBQOSA-N 441.463 4.194 5 20 IIBD COc1cc(C(=O)N2CCC(N(CC3CC3)C(=O)OC(C)(C)C)CC2)cc([N+](=O)[O-])c1C 790741143 GQUVXWCDGHWHMG-UHFFFAOYSA-N 447.532 4.164 5 20 IIBD O=C([C@H]1SCCc2ccccc21)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791246130 SUGROAXEVGZZIF-SFHVURJKSA-N 433.327 4.273 5 20 IIBD O=C(NC[C@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1)OCc1ccccc1 794045965 UOKDARRQRCQEBI-MRXNPFEDSA-N 431.876 4.027 5 20 IIBD CCc1[nH]nc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)c1[N+](=O)[O-] 795617690 YZAIGUFSGRXWQL-ZDUSSCGKSA-N 440.481 4.216 5 20 IIBD C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 799358981 PDSIFKPWWGTHOJ-HZPDHXFCSA-N 445.520 4.333 5 20 IIBD C[C@H](Nc1ccc(C(=O)OCc2ncnn2-c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 801238427 FQOMXRWMTNIJRZ-INIZCTEOSA-N 444.451 4.101 5 20 IIBD NC(=O)c1ccc(NCc2ccc(Br)c([N+](=O)[O-])c2)cc1N1CCCCC1 802651837 DCNCAMBZKMVARF-UHFFFAOYSA-N 433.306 4.059 5 20 IIBD O=C(N[C@@H](C(=O)OCc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1)c1ccccc1 803245749 GGQTWLINKGGRMD-HXUWFJFHSA-N 426.375 4.088 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccccc2cc1Br 808703681 SCDGSYPGUSVMTG-UHFFFAOYSA-N 432.186 4.171 5 20 IIBD O=[N+]([O-])c1cc(F)c(S(=O)(=O)Oc2c(F)cc(F)cc2Br)cc1Cl 809831808 HTMBVGAPOJSJKE-UHFFFAOYSA-N 446.584 4.196 5 20 IIBD O=C(NC1CCCCC1)OC[C@@H]1CCCCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 813730548 SAELCJYRJXPHSJ-INIZCTEOSA-N 428.489 4.130 5 20 IIBD C[C@@H](OC(=O)c1cccc(OC[C@@H]2CCCO2)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 844482054 JLTRSEQTGWCTRN-KUHUBIRLSA-N 439.424 4.121 5 20 IIBD CC(C)[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@@H]1CCOc2ccccc21 877121057 XFGTXOAOTNYSSP-IEBWSBKVSA-N 432.860 4.070 5 20 IIBD COc1ccc(CSCC(=O)O[C@H](C)C(=O)c2ccc3c(c2)CCC3)cc1[N+](=O)[O-] 914916408 RHHIWLIPHXIVCV-CQSZACIVSA-N 429.494 4.140 5 20 IIBD C[C@@H](OC(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)c1cccc([N+](=O)[O-])c1 915037797 IPUAHMYUUFRGNH-ZBFHGGJFSA-N 448.422 4.353 5 20 IIBD Cc1ccc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cn2)cc1C 915788386 AJLCTQYKRLAOPC-UHFFFAOYSA-N 448.479 4.488 5 20 IIBD O=C(NCCNc1ncc(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1N1CCCCC1 917159946 BBWMMODSOFZFPP-UHFFFAOYSA-N 438.315 4.129 5 20 IIBD CC(=O)Nc1cccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c1 917256680 CCLISVZQNMISTP-UHFFFAOYSA-N 449.419 4.141 5 20 IIBD CCOC(=O)C[C@H](c1ccccc1)C1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 917482560 JQOKFJPYLSQSII-JOCHJYFZSA-N 436.512 4.351 5 20 IIBD O=C(N[C@H](c1ccccc1)C1CCCC1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 918644538 CCHBZXWZCPIUNZ-VGOFRKELSA-N 425.460 4.135 5 20 IIBD C[C@H](NC(=O)COC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(Cl)cc1Cl 919514610 SALHFKHTWLFGIN-JTQLQIEISA-N 436.251 4.417 5 20 IIBD COc1ccc(CSCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1[N+](=O)[O-] 919869120 LIROKBYNKFILPX-UHFFFAOYSA-N 433.486 4.182 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1csc(-c2ccc(C(N)=O)cc2)n1 920499790 XCRCKDDHGLJUKQ-GFCCVEGCSA-N 443.506 4.041 5 20 IIBD C[C@H](OC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1 920543786 AMCUOXUGGGLZGI-HOTGVXAUSA-N 434.452 4.347 5 20 IIBD COc1cccc(C(=O)COC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 920548794 SXFBHHGNYOQUCZ-HNNXBMFYSA-N 435.436 4.211 5 20 IIBD CC(C)(NC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 921154935 NKQAMCOVXBBTLN-UHFFFAOYSA-N 440.477 4.028 5 20 IIBD COc1ccc(Cc2nc3ccccc3n2C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1OC 1322872429 QBAOTTLGEWJVNK-OAQYLSRUSA-N 433.464 4.286 5 20 IIBD C[C@@H](Oc1cccc(Br)c1)c1nnc(-c2cc3c(cc2[N+](=O)[O-])OCO3)o1 1326149104 BRPAJRSAZXIQQL-SECBINFHSA-N 434.202 4.276 5 20 IIBD CC(C)c1ocnc1COC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 1341619825 WHCIOZNYCKGUGN-UHFFFAOYSA-N 437.452 4.360 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]3C3CC3)CCC2)cc1 1785792010 PNHYVGCFIYHRAU-FCHUYYIVSA-N 433.508 4.318 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)NC1(c2ccc(NC(=O)C34CC(F)(C3)C4)cc2)CCC1 1786421228 VBXUMYXWGBCMIZ-UHFFFAOYSA-N 437.471 4.164 5 20 IIBD Cc1cc(CCCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@]2(C)C[C@@H]2C)C3)c([N+](=O)[O-])cc1F 1793405354 OINLKNBEVQCOFG-VIMSGSBQSA-N 445.535 4.049 5 20 IIBD CCCCC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])c(OC)c1)C2 1801714674 KDQHWMMXFIOJKY-FFGOWVMKSA-N 445.560 4.001 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCC2(CCCN(C(=O)CCC3CCC3)C2)CC1 1805796548 KVLSTBUSMOOIOL-UHFFFAOYSA-N 443.544 4.034 5 20 IIBD Cc1ccc(CC(=O)N2CCC3(CCCN(C(=O)c4ccsc4)C3)CC2)cc1[N+](=O)[O-] 1808107217 FLIZBXHZCTVHKK-UHFFFAOYSA-N 441.553 4.052 5 20 IIBD CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3F)n[nH]2)CCCC1 1821049043 DQIGFMLGOPEJNY-GOSISDBHSA-N 443.479 4.343 5 20 IIBD CCC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)n[nH]2)CCC1 1821165803 IMWMPQLDTJWLMQ-GOSISDBHSA-N 443.479 4.343 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@H]2CCCCN2C(=O)[C@@H](F)c2ccccc2)CC1 1824854534 FADHKCSGNWGIRT-NQIIRXRSSA-N 443.475 4.132 5 20 IIBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCCC[C@H]1C1CCN(C(=O)C23CC(C2)C3)CC1 1832904123 NDTVRKZGYOZMPS-GUKDSYMFSA-N 437.540 4.028 5 20 IIBD CC(C)(C)CCCCCC(=O)N1CC2(CCCN2C(=O)c2ccc(O)c([N+](=O)[O-])c2)C1 1845311803 XXRXDIAILZDFJM-UHFFFAOYSA-N 431.533 4.114 5 20 IIBD Cc1c(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](F)c2ccccc2)cc(Cl)cc1[N+](=O)[O-] 1848009754 OZZFHRNYTXATBP-BJLQDIEVSA-N 445.878 4.083 5 20 IIBD COc1ccc(NC(=O)CNc2ccc(Br)c(C(F)(F)F)c2)c([N+](=O)[O-])c1 15125390 ZQEDAVQBQHGKEC-UHFFFAOYSA-N 448.195 4.435 5 20 IIBD C[C@@H]([C@H](OC(=O)C1CCCC1)c1ccccc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 16006703 FZGNOHHKWHJTNW-KKSFZXQISA-N 446.525 4.079 5 20 IIBD COc1ccc(C(=O)N2CCC(C(=O)OCc3ccc([N+](=O)[O-])cc3)CC2)c2ccccc12 16913299 CIPIGJZKVQPMGZ-UHFFFAOYSA-N 448.475 4.352 5 20 IIBD CC1CCN(c2ccc(C(=O)O[C@@H](C(=O)NC3CC3)c3ccccc3)cc2[N+](=O)[O-])CC1 17533387 JUNMXYCSYREXKL-JOCHJYFZSA-N 437.496 4.008 5 20 IIBD O=C(CSc1nnc(NCc2ccco2)s1)Nc1ccc(Cl)c([N+](=O)[O-])c1 17982912 UXWFGSQWNOVRET-UHFFFAOYSA-N 425.879 4.036 5 20 IIBD C[C@@H](Sc1nc2ccccc2c(=O)n1C1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 18964611 QCCNXOVZFXSZFN-LLVKDONJSA-N 444.900 4.412 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCSc1nnc2cc(C)c3ccccc3n12 26368022 KDZATZOWQJGJRI-UHFFFAOYSA-N 437.481 4.229 5 20 IIBD CN(C)[C@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)Cc1ccccc1 27580555 FEOPWASCCYHWRN-QFIPXVFZSA-N 432.524 4.110 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(C(F)(F)F)c1 28001240 RHYOAMXZIBTESZ-MRXNPFEDSA-N 441.431 4.104 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 28416105 NLVASGAPNFCGBX-LJQANCHMSA-N 434.899 4.020 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 59773440 RTMCWMOEVOLYRV-UHFFFAOYSA-N 446.506 4.131 5 20 IIBD CC1(C)CC[C@@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c2ccccc21 60684891 KHLIOYGXCDUGHG-OAHLLOKOSA-N 433.411 4.064 5 20 IIBD O=C(NCC1(c2ccc(F)cc2)CCOCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 64934977 TVTVOLBXIVFLJK-UHFFFAOYSA-N 441.484 4.336 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3c4ccccc4C[C@H]3O)o2)c(Br)c1 238093213 WDSZQTCACHJNNE-QUCCMNQESA-N 429.270 4.365 5 20 IIBD COc1cc(C(=O)N2CCN(C)C[C@H]2C(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 303720228 AUJSFULCTXZNDK-SFHVURJKSA-N 447.919 4.461 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 409652029 KUEPGYKKVUATPX-QGZVFWFLSA-N 434.880 4.040 5 20 IIBD COc1cccc(C2(F)CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)CC2)c1 410227342 MDLGXQFPSYIVQD-UHFFFAOYSA-N 427.476 4.305 5 20 IIBD C[C@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccccc2)c1 410299646 BJKREACYZSZANW-KRWDZBQOSA-N 447.495 4.319 5 20 IIBD CNC(=O)c1cc(Oc2cc(C)ccc2NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)ccn1 426867311 UBEUQYRPERXKCF-UHFFFAOYSA-N 445.435 4.184 5 20 IIBD O=C(NC1CCN(c2cccnn2)CC1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 429244336 KOTLYRUOYLEFEI-UHFFFAOYSA-N 441.557 4.066 5 20 IIBD CCc1noc(-c2ccc(C)c(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)c2)n1 430454460 YXMQHQLMSDCLOD-UHFFFAOYSA-N 435.484 4.371 5 20 IIBD CC1(C)CN(c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])[C@@H]1c1ccncc1 431483220 MWWGYYWOWJWBKU-OAQYLSRUSA-N 444.557 4.142 5 20 IIBD O=C(NCc1ccc(NC(=O)c2ccco2)cc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 435933146 BKNWFRPJWSTWOJ-UHFFFAOYSA-N 437.455 4.457 5 20 IIBD O=C(NCc1ccc(N2CCCCC2)nc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436068635 PMKCGQAOEZMIAD-UHFFFAOYSA-N 448.473 4.275 5 20 IIBD CCN(C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](Cc1ccc(F)cc1)C(C)C 437116136 PSOYXQIWUOKHCD-GOSISDBHSA-N 447.532 4.041 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSCc1ccn(-c2ccccc2F)n1 438300182 DWMRBOADDQDHNS-UHFFFAOYSA-N 428.445 4.151 5 20 IIBD COC(=O)c1cc2cc(NS(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])ccc2o1 438789564 GIVYXXJHFDVZNZ-UHFFFAOYSA-N 445.236 4.235 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(OC(F)F)c(OCC)c1 439908662 OCJFVHSUTITHIJ-UHFFFAOYSA-N 425.388 4.315 5 20 IIBD O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ncc(-c4ccc(Br)cc4)o3)C2)nc1 440489057 CPLSPUIPJQEVGQ-HNNXBMFYSA-N 444.289 4.094 5 20 IIBD CN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 443809109 ZFEHNFIPRTWVBK-UHFFFAOYSA-N 442.825 4.271 5 20 IIBD O=C(Nc1ccccc1CN1CCSCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 443860926 QJFZKLNTPUDOBS-UHFFFAOYSA-N 425.432 4.415 5 20 IIBD COC(=O)CSCc1cccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])c1 445189419 OXOXCTZLYMBMPY-UHFFFAOYSA-N 445.316 4.077 5 20 IIBD C[C@H](c1nc(CC(=O)Nc2ccccc2C(F)(F)F)no1)c1ccc([N+](=O)[O-])cc1F 445418933 QELMHJKIIMWHDL-JTQLQIEISA-N 438.337 4.469 5 20 IIBD Cc1cc(NC(=O)NCc2nc(-c3cccc(Br)c3)no2)ccc1[N+](=O)[O-] 448002409 XOIIYMBXCXPZSN-UHFFFAOYSA-N 432.234 4.037 5 20 IIBD O=C(Nc1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)c1cc(Cl)cc([N+](=O)[O-])c1 460341717 PDJSSSGKGAGZMR-UHFFFAOYSA-N 439.786 4.440 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1ccnc(OC2CCCC2)c1 462422130 MJMXWLHQWCYZAL-UHFFFAOYSA-N 446.312 4.097 5 20 IIBD CCO[C@@H](C)c1nc(CN2CCN(c3ccc([N+](=O)[O-])c4cccnc34)CC2)cs1 463069258 JHWKXBXOWFSONJ-HNNXBMFYSA-N 427.530 4.019 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(COc3ccc(-c4noc([C@@H]5CCCO5)n4)cc3)o2)cc1 463257434 HYXZCLYKAMXMJQ-KRWDZBQOSA-N 435.396 4.125 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N(CCCOc1ccccc1)C1CCOCC1 463940499 BBWXRELJJGMWNZ-UHFFFAOYSA-N 429.473 4.085 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NC[C@@H](C)Oc3ccc(Cl)cc3)cc2)c(C)c1[N+](=O)[O-] 464633778 GJMDRPQDRVWAEB-CQSZACIVSA-N 442.903 4.307 5 20 IIBD C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464770611 CFHLAEUDWQQFFV-AWEZNQCLSA-N 435.427 4.067 5 20 IIBD C[C@@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 465223994 WRAKHINJHBJWCH-CQSZACIVSA-N 447.417 4.479 5 20 IIBD CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)O[C@H](C)C2 466216351 MWEMXUBRTNDXMF-GFJSAUFNSA-N 445.903 4.326 5 20 IIBD Cc1csc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1I 468976340 NATUMDWOQSYBQO-UHFFFAOYSA-N 442.278 4.374 5 20 IIBD CCO[C@H](CCNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)C(C)C 469990207 HXIUMLKXKGESRF-MRXNPFEDSA-N 429.304 4.268 5 20 IIBD CCN(C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@H](C)c1cccc(C(F)(F)F)c1 472632141 VAAAXVHJOILQJZ-LLVKDONJSA-N 427.354 4.301 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 472690415 WMMKBJMDNVRIII-UHFFFAOYSA-N 439.365 4.097 5 20 IIBD COc1c(C(=O)Nc2ccc(Oc3ccc(S(C)(=O)=O)cc3)cc2)cccc1[N+](=O)[O-] 475532765 ASDKYZREGUJAGD-UHFFFAOYSA-N 442.449 4.052 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3[nH]c4ccccc4c3Cl)CC2)ccc1[N+](=O)[O-] 477373155 NIOAVBPBKZXLSG-UHFFFAOYSA-N 428.876 4.091 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(CCN3CCCC[C@H]3C)CC2)cc1OC 478330631 ABVBSJBXSVEWJU-QGZVFWFLSA-N 433.549 4.119 5 20 IIBD Cc1cccc(Cl)c1NC(=O)COc1ccc(I)cc1[N+](=O)[O-] 478896815 ZYSSXWAXMKYGOQ-UHFFFAOYSA-N 446.628 4.179 5 20 IIBD COc1cc(-c2noc(COc3cc(C)c([N+](=O)[O-])cc3F)n2)ccc1OC(F)F 478904249 ASGQSOLLIYQRNK-UHFFFAOYSA-N 425.319 4.281 5 20 IIBD COCCN(Cc1sccc1Br)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] 479726890 XYXQPVNCJYSHHD-GFCCVEGCSA-N 442.335 4.338 5 20 IIBD COc1ccc2[nH]cc(C3=CCN(S(=O)(=O)c4c(C)ccc(C)c4[N+](=O)[O-])CC3)c2c1 481060778 PASVDIVBHGCFMS-UHFFFAOYSA-N 441.509 4.180 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(N3CCC(C(F)F)CC3)c([N+](=O)[O-])c2)c(C)c1 481833351 CPLAXKGDPQEWLL-UHFFFAOYSA-N 439.484 4.494 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccc(C(F)(F)F)cc1 482189091 UMKWKKYJYBVIAU-CQSZACIVSA-N 435.358 4.129 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(C(=O)c2ccsc2)CC1 484225832 CGQDFDFNJUCKJD-UHFFFAOYSA-N 447.582 4.393 5 20 IIBD CC(C)(NC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1[N+](=O)[O-] 487826375 XDNTXLXZJYBYED-UHFFFAOYSA-N 430.936 4.447 5 20 IIBD COc1ccc(CN2CCC(CNC(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 489416292 VTUIONZRDJVVAT-GOSISDBHSA-N 440.544 4.184 5 20 IIBD COC(=O)c1cc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(C)C)c(C)c([N+](=O)[O-])c1 489791848 VCPIKLNGHDAKCP-UHFFFAOYSA-N 440.431 4.390 5 20 IIBD CN1CCC(n2ccc(NC(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)n2)CC1 489982779 CQMXHUJWRWKJMC-UHFFFAOYSA-N 437.525 4.462 5 20 IIBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 490418176 NMAUYVNZEJFESC-DYVFJYSZSA-N 444.431 4.073 5 20 IIBD C[C@H](N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 494498714 WJIWWTQWASFJRT-WQRJOSILSA-N 442.274 4.488 5 20 IIBD O=C(Nc1ccc(OCc2ccccn2)c(F)c1)c1cc([N+](=O)[O-])ccc1SCCO 497737567 JPILLVUALYEHMP-UHFFFAOYSA-N 443.456 4.045 5 20 IIBD C[C@@H]1C[C@@H](N(C)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCN1Cc1ccccc1 498495139 OLGQGJNUBAGWOI-UTKZUKDTSA-N 444.963 4.485 5 20 IIBD COc1ccc(C[C@H](NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccc(OC)cc2)cc1 499052718 BQNFLWSXBAONQE-DEOSSOPVSA-N 449.507 4.433 5 20 IIBD Cc1cccc(Oc2ccc(NC(=O)Cn3cnc4cc([N+](=O)[O-])ccc4c3=O)cc2)c1 499763341 KRQDEEVURMJRQN-UHFFFAOYSA-N 430.420 4.044 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(CCO)Cc1ccc(Cl)c(Cl)c1 502534706 RBJMJQHHJNGVOY-UHFFFAOYSA-N 426.300 4.033 5 20 IIBD COc1ccc(-c2nc(C)c([C@H](C)NC(=O)CCn3nc(C)c([N+](=O)[O-])c3C)s2)cc1 505130267 TUCHBRRFHMWJEO-ZDUSSCGKSA-N 443.529 4.116 5 20 IIBD CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 505413151 FLUPEHIPGKEPCT-INIZCTEOSA-N 438.347 4.328 5 20 IIBD CCN(C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cccc(C)c1 505517082 VQSWRCSBLNUZDE-UHFFFAOYSA-N 439.493 4.371 5 20 IIBD O=C(N[C@@H](c1ccccc1)c1ccc(F)cc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 505915018 HJZKGNOVCOZXMN-QHCPKHFHSA-N 434.471 4.355 5 20 IIBD C[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccncc2)cc1 505952184 FULBCNJXGJMHJY-KRWDZBQOSA-N 447.495 4.312 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1ncc(C(C)C)s1 510041904 FNCJFAAGVCQWGG-UHFFFAOYSA-N 431.255 4.340 5 20 IIBD COc1cc(CN2CCN(c3ccc4ccccc4n3)CC2)c([N+](=O)[O-])cc1OC(F)F 510538136 LBUFZAFUGOFCLP-UHFFFAOYSA-N 444.438 4.075 5 20 IIBD C[C@@H](c1ccc2ccccc2c1)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 511419005 WDNRRJVTZPDVAQ-KRWDZBQOSA-N 439.537 4.035 5 20 IIBD COc1ccc(NC(=O)CN[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)c([N+](=O)[O-])c1 511553448 JTBIQOIGFWSZJG-LJQANCHMSA-N 439.390 4.181 5 20 IIBD COc1cc(CCNC(=O)Nc2ccc(C)c(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC 514543057 HKPHZOWUQQNVME-UHFFFAOYSA-N 427.379 4.303 5 20 IIBD O=C(Nc1cc(F)c(Cl)cc1N1CCOCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 515707996 PFKUDPVKEBEXQP-UHFFFAOYSA-N 434.855 4.051 5 20 IIBD COc1cc(OCC(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)ccc1[N+](=O)[O-] 519018561 RGIQXEVCUUIOTL-UHFFFAOYSA-N 436.424 4.265 5 20 IIBD O=[N+]([O-])c1cccc(-c2ccc(CNC[C@@H](O)COc3ccc(C(F)(F)F)cc3)o2)c1 521831387 NWXUISJOEOVNEE-QGZVFWFLSA-N 436.386 4.403 5 20 IIBD COc1ccc(-c2ccc(CNCC3(N4CCC(OC)CC4)CCCC3)o2)c([N+](=O)[O-])c1 521841351 DXLDBLSNJRLLJD-UHFFFAOYSA-N 443.544 4.377 5 20 IIBD CC(=O)N(Cc1ccc(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1)C(C)C 524825472 MBDQMIMNITXPHP-UHFFFAOYSA-N 426.517 4.496 5 20 IIBD Cc1nc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c2c(CC(C)C)csc2n1 525358907 LTRTUTURWKVCNB-UHFFFAOYSA-N 439.541 4.069 5 20 IIBD CC(C)(C)OC(=O)Cc1cccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 530710101 BLYZROKPXVVPTP-UHFFFAOYSA-N 435.274 4.494 5 20 IIBD CCN(CC)CCN(Cc1cccs1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 532357928 XGSAQXZREUJVPG-UHFFFAOYSA-N 444.601 4.243 5 20 IIBD COc1ccc(CN[C@@H]2CCO[C@]3(CCSC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 533187262 JLSCPEZWVVQFCS-AUSIDOKSSA-N 444.553 4.327 5 20 IIBD C[C@H]1CO[C@H](c2ccccc2Cl)CN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 533440286 XTLVWNYNKGNRBT-XOBRGWDASA-N 431.876 4.008 5 20 IIBD O=C(NCC(F)(F)F)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 535796115 XHIKPEIJJDKRLG-UHFFFAOYSA-N 427.448 4.214 5 20 IIBD O=C(O)C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(Cl)cc1 537370151 XYXBGLZNYAXGJW-HNNXBMFYSA-N 431.857 4.318 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1nc(-c2ccc(Br)cc2)no1 541687736 LUWGGPGVHOXXOX-LLVKDONJSA-N 433.262 4.267 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCC(OC[C@H]3CCOC3)CC2)cc1[N+](=O)[O-] 543320185 HJOMBZUSJOJNNY-KRWDZBQOSA-N 436.574 4.391 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CCC[C@@H]1[C@H](O)C(F)(F)F 544552221 GCWZYXCTHIDINU-WBVHZDCISA-N 432.464 4.405 5 20 IIBD Cc1ccc(C(=O)CCC(=O)CCc2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)s1 545142997 WJGVMJRRRAVDPU-UHFFFAOYSA-N 427.482 4.412 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3CCCCN3c3ccccc32)c(C(F)(F)F)c1 549556764 PHLVPZYAZIDXCN-AWEZNQCLSA-N 441.431 4.181 5 20 IIBD CCc1ccc([C@@H](Nc2cc(OC)cc(S(C)(=O)=O)c2)c2ccc([N+](=O)[O-])cc2)o1 552340128 KZWJFLRMXFDJTB-NRFANRHFSA-N 430.482 4.364 5 20 IIBD CCSc1ccc([C@@H](C)NC(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 553465050 LVLFYRHXNZKNKM-OAHLLOKOSA-N 427.526 4.075 5 20 IIBD Cc1c(Br)cc(-c2nc(C(C)(C)NC(=O)c3ccccc3)no2)cc1[N+](=O)[O-] 554834714 NXAGXDQBFAGNPP-UHFFFAOYSA-N 445.273 4.381 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c1 558802774 IACSQYQEYQBPDY-VBKZILBWSA-N 435.883 4.209 5 20 IIBD Cc1c(CC(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)cnn1C 559907135 PPOQKODIGDVIPT-UHFFFAOYSA-N 432.839 4.080 5 20 IIBD COc1ccc(NC(=O)CCc2nc(O)c3c4c(sc3n2)C[C@H](C)CC4)cc1[N+](=O)[O-] 564006086 VVBURPPBHZKTQJ-LLVKDONJSA-N 442.497 4.010 5 20 IIBD O=C(NCc1noc2ccccc12)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 564704819 ARMHQFGXBMQOHH-UHFFFAOYSA-N 448.401 4.288 5 20 IIBD O=C(Nc1ccc(-n2ncc3ccccc32)cc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 565686669 SKENOQGHMHMVGH-UHFFFAOYSA-N 429.436 4.360 5 20 IIBD C[C@@H](c1nc(Cc2nc(O)c3c(C4CC4)csc3n2)no1)c1ccc([N+](=O)[O-])cc1F 565747229 CFTMSZYTCWWHQF-SECBINFHSA-N 441.444 4.447 5 20 IIBD Cc1cccc([C@H](C)S(=O)(=O)Cc2cc(I)cc([N+](=O)[O-])c2)c1 580746801 DBBPNODLEGHULJ-LBPRGKRZSA-N 445.278 4.184 5 20 IIBD CCOc1cc(C(=O)N[C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)c([N+](=O)[O-])cc1OC 589047026 YQFKTICHLAYZKE-FUHWJXTLSA-N 436.411 4.010 5 20 IIBD COc1ccc(Cl)cc1[C@@H](CC(C)C)Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 600849570 RCYHMGMDXCLOBL-OAHLLOKOSA-N 427.910 4.104 5 20 IIBD CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 603642376 FORCROBBQCGQOT-UHFFFAOYSA-N 445.863 4.350 5 20 IIBD O=[N+]([O-])c1ccccc1OCCSc1nnc(-c2cccnc2)n1Cc1ccccc1 603902134 DBJQIQJQYAVCMW-UHFFFAOYSA-N 433.493 4.468 5 20 IIBD COc1ccc(CNC(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc1[N+](=O)[O-] 608983527 CNCNUKLIHQBUOF-GOSISDBHSA-N 440.283 4.193 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(Cc1ccco1)c1ccc(OC)c(F)c1 610058648 MCDDDTSNWCQCIF-UHFFFAOYSA-N 434.445 4.293 5 20 IIBD O=C1c2ccccc2C(=O)N1CCCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 610365311 GTVWCTZXANKLDZ-UHFFFAOYSA-N 443.459 4.204 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(-c3nc(C4C[C@@H]5CC[C@H](C4)N5C)no3)cc2[N+](=O)[O-])C1 612954739 POARHECCKLSMGE-KDEOWCQBSA-N 425.533 4.467 5 20 IIBD Cc1cc(OCC(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)ccc1[N+](=O)[O-] 619541602 SADZMELALBREBB-UHFFFAOYSA-N 444.285 4.111 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OCCOc2cccc3ccccc23)ccc1[N+](=O)[O-] 726673304 AASJOIAGPTVQCT-JOCHJYFZSA-N 448.475 4.283 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N[C@H](c1ccccc1)c1cccnc1 728569452 UBYGCVQARZQIAE-GOSISDBHSA-N 437.399 4.485 5 20 IIBD CN(C(=O)COC(=O)c1ccccc1OCc1cccs1)c1ccc([N+](=O)[O-])cc1 730613831 LNELFMCRAIJSLN-UHFFFAOYSA-N 426.450 4.055 5 20 IIBD CC[C@@H](Sc1ccccc1)C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 732504665 ACPGQKWDCLBJOC-OXJNMPFZSA-N 428.510 4.314 5 20 IIBD CC(=O)Nc1ccc(C2=N/C(=C/c3csc(-c4cccc([N+](=O)[O-])c4)n3)C(=O)O2)cc1 733085833 IMZCSVMUMWHHOZ-VCHYOVAHSA-N 434.433 4.021 5 20 IIBD COc1cc(C(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)c([N+](=O)[O-])cc1OC 733244891 GHJBYWNQUZOSCI-UHFFFAOYSA-N 430.804 4.100 5 20 IIBD C[S@@](=O)Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)ccc1Cl 734401272 CAPZKTRBOKWGTC-GDLZYMKVSA-N 435.933 4.369 5 20 IIBD COC(=O)[C@@](C)(NCc1cc([N+](=O)[O-])ccc1Cl)c1cccc(Br)c1 735492912 KRICNSXVZHMQDV-KRWDZBQOSA-N 427.682 4.189 5 20 IIBD O=C(OCCOCCO)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 740188503 GLXVMGHVXREFMI-OBGWFSINSA-N 448.475 4.186 5 20 IIBD Cc1ccc(CN(C(=O)COC(=O)c2ccc([N+](=O)[O-])cc2Br)C2CC2)cc1 740410724 SQHKKFTWOXIOHG-UHFFFAOYSA-N 447.285 4.014 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2cccc(CSC3CCOCC3)c2)cc1[N+](=O)[O-] 742031873 HGUFSACCUXVWQW-UHFFFAOYSA-N 440.518 4.255 5 20 IIBD Cc1ccc(Br)cc1C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 744118509 ZTYNBYCDQYSSLT-HNNXBMFYSA-N 447.285 4.127 5 20 IIBD O=C(OCc1ncc(-c2ccccc2Br)o1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 744768203 YGEZFENXKNRFPM-UHFFFAOYSA-N 448.185 4.278 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccccc2NC(=O)C(C)(C)C)cccc1[N+](=O)[O-] 745017873 UFKQAIILRUAFAT-CQSZACIVSA-N 427.457 4.072 5 20 IIBD CCOc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 748532460 SLTZOLBPGLMAGS-QZTJIDSGSA-N 447.532 4.388 5 20 IIBD C[C@H]1CCCN(C(C)(C)CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 749422747 WYYLHDCOJCMXBB-NSHDSACASA-N 432.746 4.251 5 20 IIBD Cc1ccc(CNC(=O)c2cccc(CNC(=O)c3cccc(Cl)c3[N+](=O)[O-])c2)cc1 749908071 GRSRJNUCSMMYLX-UHFFFAOYSA-N 437.883 4.417 5 20 IIBD O=C(Nc1ccnn1Cc1ccc(Br)cc1)c1cc(F)c(F)cc1[N+](=O)[O-] 750563939 VHEACRDJQLZHSF-UHFFFAOYSA-N 437.200 4.133 5 20 IIBD Cc1ccc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1 751333627 TVKNBZNPPSRJKE-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1 751642106 TWBUPWKZUAADFH-UHFFFAOYSA-N 445.435 4.225 5 20 IIBD Cc1c(Br)cc(C(=O)OCc2cncc(Br)c2)cc1[N+](=O)[O-] 753107732 YNRHSQXJFIUBNR-UHFFFAOYSA-N 430.052 4.180 5 20 IIBD O=C(COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)Nc1ccccc1C(=O)c1ccccc1 756765257 AMIBDMULVGHQPG-UHFFFAOYSA-N 443.415 4.103 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc(C)c1Br 756784474 PDSNXMXAYVDHAR-UHFFFAOYSA-N 434.290 4.063 5 20 IIBD O=C(Nc1cnc(Br)c(Br)c1)c1cc(F)c(F)cc1[N+](=O)[O-] 757831342 LRZILVBOOPFPBT-UHFFFAOYSA-N 436.994 4.045 5 20 IIBD C[C@@H](OC(=O)c1ccc(C(=O)Nc2ccccc2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 758676850 UZQFRNRZCCALGY-OAHLLOKOSA-N 433.420 4.031 5 20 IIBD O=C(NC[C@@H](O)c1c(F)cccc1F)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 762532242 XTXDFWCIQWLPJG-GOSISDBHSA-N 430.432 4.488 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 763714843 FFVPRODAQQDXIE-SNVBAGLBSA-N 427.240 4.403 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CCCCC[C@H]1C[C@H](O)c1ccccc1 764394961 RTIUYBULFPIJGZ-JTSKRJEESA-N 435.480 4.357 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1[N+](=O)[O-] 765275782 XOALQCDNJDWMOE-AOMKIAJQSA-N 432.521 4.007 5 20 IIBD CCOc1cc(NC(=O)N[C@@H](C)C[C@H](O)c2ccc(F)cc2)c([N+](=O)[O-])cc1OCC 765871963 TWINAZMVTISCKF-UGSOOPFHSA-N 435.452 4.165 5 20 IIBD CCCCCOc1ccc(OC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)cc1 766323846 MMKXTXCXEMBORV-UHFFFAOYSA-N 426.425 4.036 5 20 IIBD Cc1ccc(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(OC[C@@H]2CCCO2)c1 766575748 KVCZLUJWWQKFAJ-QHCPKHFHSA-N 425.529 4.220 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 767880585 BYHKYYLSPWNSOT-ZFWWWQNUSA-N 437.418 4.439 5 20 IIBD Cc1ccc(Cc2nc(C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)cs2)cc1 768649900 FMHSGQZPGRRERE-CQSZACIVSA-N 425.466 4.135 5 20 IIBD O=C(CCc1ccccc1)N1CCCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 769134199 KPNXJOHUMCRHCH-UHFFFAOYSA-N 446.345 4.024 5 20 IIBD O=C(Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)c1cc(Cl)ccc1[N+](=O)[O-] 772218906 BISJGNHEVXXZFU-KRWDZBQOSA-N 425.876 4.144 5 20 IIBD CCCc1nc(C)c(NC(=O)c2cc([N+](=O)[O-])ccc2I)s1 777038774 LUIRHNYROMFXLG-UHFFFAOYSA-N 431.255 4.169 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)c1csc(COc2ccc(F)cc2)n1 778798166 JIAXNKWMVYWWDX-GOSISDBHSA-N 443.456 4.205 5 20 IIBD COc1cc(COC(=O)c2ccc(Cl)nc2Cl)c([N+](=O)[O-])cc1OCC(F)F 780063783 CVGULBWQUGKKRN-UHFFFAOYSA-N 437.182 4.306 5 20 IIBD O=C(COC(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1)Nc1cc([N+](=O)[O-])ccc1F 781437930 YSTAAQIXFLQMDD-UHFFFAOYSA-N 444.312 4.105 5 20 IIBD CCOc1ccc(NCc2ccc([N+](=O)[O-])cc2Cl)cc1S(=O)(=O)N1CCCC1 782216904 KNANAEZOPWBECU-UHFFFAOYSA-N 439.921 4.044 5 20 IIBD Cc1cc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])n(-c2ccc([N+](=O)[O-])cc2)n1 783862227 KNVJSCIBQJEWOO-UHFFFAOYSA-N 447.860 4.381 5 20 IIBD CCOc1cc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])cc1OCC 790627456 PVXVYXIRNSRNQN-LBPRGKRZSA-N 435.458 4.420 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)CC2)CC1 791038037 IILQTFMOCRFGAL-TWGQIWQCSA-N 429.517 4.248 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)cc1[N+](=O)[O-] 793019545 SCKCYGCMKNPGCJ-MAUKXSAKSA-N 445.541 4.007 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Br)cs1 795677311 VBADRNCEWJYCCY-UHFFFAOYSA-N 431.211 4.238 5 20 IIBD O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@H]1c1ccc(Cl)cc1 795864444 DJLBKHDABKWRMV-ZDUSSCGKSA-N 449.685 4.286 5 20 IIBD COC(=O)/C=C\c1ccc(OC)c(OC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 797161786 UTHPXPQJJJNBGM-XQRVVYSFSA-N 425.315 4.028 5 20 IIBD CSc1c(F)cccc1C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 797925277 DPODILVCMRNNEX-UHFFFAOYSA-N 432.351 4.270 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(CCc1cccc(F)c1)C1CCCC1 800632722 RVDGTIHIYRKQEZ-UHFFFAOYSA-N 431.439 4.134 5 20 IIBD COc1ccncc1COC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 805364526 AJRMVMRWVCLGMK-UHFFFAOYSA-N 441.827 4.261 5 20 IIBD CC(C)([C@@H](OC(=O)c1ccnc2ccncc12)c1ccc(Br)cc1)[N+](=O)[O-] 810669435 TXPKGTLOYHUMQC-KRWDZBQOSA-N 430.258 4.346 5 20 IIBD O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N(Cc1ccco1)Cc1cccs1 814977800 COJUVMPPEXLPLZ-UHFFFAOYSA-N 430.866 4.433 5 20 IIBD C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CCN1C(=O)OC(C)(C)C 816507722 POMOETSMLLKCGG-RYUDHWBXSA-N 431.411 4.131 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 820002660 URWYDFYPUIIWBX-CQSZACIVSA-N 430.436 4.015 5 20 IIBD Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc1-c1nnc(S)n1C1CC1 911602835 UKXDYAAQTHAWOS-UHFFFAOYSA-N 436.906 4.148 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 915298486 QHPNNBQVAXXEBC-UHFFFAOYSA-N 435.914 4.123 5 20 IIBD O=Cc1c(OS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)ccc2ccccc12 917840463 HGNRLIXIRXRGBA-UHFFFAOYSA-N 436.239 4.091 5 20 IIBD O=C(OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(SC(F)(F)F)cc1 920148035 OWEPDZPLFWMNNT-UHFFFAOYSA-N 448.806 4.447 5 20 IIBD O=C(Nc1nnc(-c2ccncc2)s1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 1255372473 UKRGEISWQHAKCE-UHFFFAOYSA-N 435.415 4.125 5 20 IIBD C[C@H](Sc1ccc(S(=O)(=O)C(F)(F)F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 1318969707 SVJTVKLHESYRIF-JTQLQIEISA-N 434.417 4.008 5 20 IIBD O=C1Nc2ccccc2[C@H]1C1CCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 1320041449 LKZLNSUWEKXJQM-LJQANCHMSA-N 425.876 4.003 5 20 IIBD Cc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)ccc1N1CCCC1=O 1323703898 KTGPKZOWEBTPND-UHFFFAOYSA-N 436.237 4.184 5 20 IIBD Cc1nc([C@H](C)NC(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)no1 1325050484 RCZTVORSISLXGM-JTQLQIEISA-N 449.826 4.431 5 20 IIBD Cc1nc([N+](=O)[O-])cn1Cc1nnc(-c2ccc(COc3ccc(Cl)cc3)cc2)o1 1328101253 LEWYFDZQOPXAJO-UHFFFAOYSA-N 425.832 4.430 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccc(C2(NC(=O)c3cccnc3)CCC2)cc1 1786206161 ATDVFVQOJXEKOK-CSKARUKUSA-N 432.436 4.044 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])o1 1799545126 HJKVSCIWKJXKGN-ZSBIGDGJSA-N 438.267 4.060 5 20 IIBD CCCC(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)[C@@H]1c1cccnc1 1811794179 IXDRUCXUXQJCQA-KKSFZXQISA-N 444.919 4.071 5 20 IIBD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2cnn(C(C)C)c2n1 10205748 ZUTMPAUISJYISO-GFCCVEGCSA-N 445.863 4.066 5 20 IIBD C[C@H](OC(=O)Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 11068434 NPOFUQSNDYQNNO-JTQLQIEISA-N 430.766 4.380 5 20 IIBD COc1ccc([N+](=O)[O-])cc1OCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 14070059 JQJOUYQBIULLMZ-OAHLLOKOSA-N 427.438 4.015 5 20 IIBD CC(C)[C@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccc(F)cc1 18136064 HDYBCRJHSZEBAU-SFHVURJKSA-N 429.477 4.141 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccc(N2CCCCC2)cc1 22045707 IFSVVDHHUVLXEH-AWEZNQCLSA-N 431.876 4.423 5 20 IIBD Cc1ccc(NC(=O)Cc2nc(COC(=O)c3ccc([N+](=O)[O-])c(C)c3)cs2)cc1 22140201 RBUKCJXRKJMIAY-UHFFFAOYSA-N 425.466 4.206 5 20 IIBD O=C(OCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)c1ccccc1[N+](=O)[O-] 24503951 YCWVVHCNZIOHCR-MRXNPFEDSA-N 441.490 4.253 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3sccc3C)cc2)cc1[N+](=O)[O-] 25719396 ICMZOWGAWXUGTB-UHFFFAOYSA-N 445.522 4.004 5 20 IIBD CCOC(=O)c1cc(C(=O)O[C@H](C)c2nnc(-c3cccc(C)c3)o2)cc([N+](=O)[O-])c1 26559073 QXNHEDJKSGPCJI-CYBMUJFWSA-N 425.397 4.048 5 20 IIBD COc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 28699456 ZZTSZMLLORZUBQ-INIZCTEOSA-N 449.463 4.400 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)[C@@H](C)C(C)(C)C)cc2)cc1[N+](=O)[O-] 31408019 GESLKRJHUASLNH-HNNXBMFYSA-N 433.530 4.211 5 20 IIBD Cc1ccc(N2C(=O)C[C@@H](C(=O)NCc3ccc([N+](=O)[O-])cc3)[C@H]2c2cccs2)cc1 59786367 NHTJSWOIQOEJHA-KNQAVFIVSA-N 435.505 4.375 5 20 IIBD COCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] 60436978 SXDJOMFGXAUXAN-UHFFFAOYSA-N 448.419 4.056 5 20 IIBD CNS(=O)(=O)c1ccc(N[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)c([N+](=O)[O-])c1 60874895 RJLVHGIFSORSGU-FQEVSTJZSA-N 447.463 4.177 5 20 IIBD CCOCCOc1c(Cl)cccc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C 62930428 NTTQPSWMGMJEBM-UHFFFAOYSA-N 428.894 4.081 5 20 IIBD Cc1cc(C)n(-c2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3F)c(C(F)(F)F)c2)n1 63333310 PLPFIRUWGUILJQ-UHFFFAOYSA-N 436.365 4.485 5 20 IIBD CCN(C[C@@H]1COc2ccccc2O1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 64894364 PIDNBBKGZTYDOW-MRXNPFEDSA-N 425.466 4.020 5 20 IIBD COc1ccc(OC)c(CCNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 65418207 XGEFLRMRVJXHMN-UHFFFAOYSA-N 444.431 4.082 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CSc1nc2ccccc2c(=O)n1-c1ccc(C)cn1 140843037 XXXRYLRPAIAHEX-UHFFFAOYSA-N 434.477 4.298 5 20 IIBD COc1cc(CNCC(=O)Nc2ccc(F)cc2)c([N+](=O)[O-])cc1OCc1ccccc1 237120770 NDZUANWFPRYNBU-UHFFFAOYSA-N 439.443 4.050 5 20 IIBD COc1cc(CN[C@H](C)C(=O)Nc2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 237205159 VERPFGLZXRJULL-QGZVFWFLSA-N 435.480 4.299 5 20 IIBD COC(=O)c1cnc(NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c([N+](=O)[O-])c1 302664194 BSDNKUPPSZYNMF-UHFFFAOYSA-N 439.299 4.160 5 20 IIBD COc1ccc(-c2nnc(Sc3ccc(F)cc3[N+](=O)[O-])[nH]2)cc1Br 302685273 QKMPMZLBJCYWOQ-UHFFFAOYSA-N 425.239 4.441 5 20 IIBD COc1ccc(OCCSc2nnc3c(Cl)cc(C(F)(F)F)cn23)c([N+](=O)[O-])c1 303857158 FVZZYJKAHFXVQZ-UHFFFAOYSA-N 448.810 4.489 5 20 IIBD CC[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccccc1OCC(=O)N1CCCC1 409751231 POCIFUDYYIBSSQ-GOSISDBHSA-N 440.500 4.177 5 20 IIBD O=C(c1ccc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1)N1CCC[C@@H]2CCC[C@@H]21 426780818 VQFGFKNQTZTLHE-USNOLKROSA-N 425.529 4.404 5 20 IIBD COC(=O)[C@H](CC1CCCCC1)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 427964708 JVFISSPHFDDRAH-FQEVSTJZSA-N 442.462 4.201 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C 428774006 UGNSKTXQEBRLRE-IFXJQAMLSA-N 437.418 4.323 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H]1CCN(c2cccc(Cl)c2)C1 430479194 VQQOEHCVLBDRCJ-SFHVURJKSA-N 431.923 4.203 5 20 IIBD CC(C)(C)c1cc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)n(-c2ccccn2)n1 432683272 WVQATOYGDSXQAT-UHFFFAOYSA-N 444.289 4.488 5 20 IIBD C[C@H](c1ccc(Br)cc1)N1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 435042662 WHBUBUVVIDOCBO-CQSZACIVSA-N 445.317 4.377 5 20 IIBD COc1cc(NC(C)=O)ccc1NC(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 435439876 XQDPSZUURVRHRN-GASCZTMLSA-N 440.500 4.296 5 20 IIBD C[C@@H](NC(=O)c1ccc(O)c([N+](=O)[O-])c1)c1cccc(NC(=O)Cc2ccccc2F)c1 436958708 JHNDXIQBUQFZHW-CQSZACIVSA-N 437.427 4.112 5 20 IIBD O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1cc([N+](=O)[O-])ccc1SCCO 437278436 SZNSVMSPOIMZJV-BLLLJJGKSA-N 427.309 4.272 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N(C)CCCn3ccnc3C)cc2[N+](=O)[O-])n1 437512182 FGVJHCDWHVOJBS-UHFFFAOYSA-N 431.543 4.178 5 20 IIBD CC(=O)Nc1ccc(Cl)c(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 437881219 JMEYBXMQKRWLJH-UHFFFAOYSA-N 432.864 4.282 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccccc1Br 438812622 USMXPBKGGYJXQW-UHFFFAOYSA-N 426.075 4.465 5 20 IIBD Cc1ccccc1[C@@H](OC[C@@H](O)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 438823610 ZDUZCSQAFKBNOV-UPVQGACJSA-N 444.491 4.329 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(Cl)cc1-c1nc(C2CCCC2)no1 439688690 SCLGBYZXEUGGAJ-UHFFFAOYSA-N 444.879 4.490 5 20 IIBD Cc1cc(C(=O)Nc2cccc(-n3ncc(C(=O)O)c3C(F)(F)F)c2)cc([N+](=O)[O-])c1 439922129 PDLIWOOPRUOBLT-UHFFFAOYSA-N 434.330 4.058 5 20 IIBD Cc1c(NC(=O)C(=O)NCc2ccc(Oc3ccccc3F)c(F)c2)cccc1[N+](=O)[O-] 442249642 JMQUSURMDZZPNK-UHFFFAOYSA-N 441.390 4.229 5 20 IIBD O=C(NCCCc1nc(-c2ccc(F)cc2)no1)c1ccc2[nH]c3ccccc3c(=O)c2c1 444302592 RIAHOSMOZMEAOX-UHFFFAOYSA-N 442.450 4.233 5 20 IIBD COc1ccc([C@@H](NC(=O)c2cnc(O)c([N+](=O)[O-])c2)c2ccc(C(F)(F)F)cc2)cc1 445157846 KFEHURRGSCPROQ-SFHVURJKSA-N 447.369 4.242 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)c(Br)c1 447030710 VLZMFSCAPDSOHO-VHSXEESVSA-N 445.257 4.004 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCSc2ccccc21 460847298 DUSWFTVIWVOULW-AWEZNQCLSA-N 425.432 4.421 5 20 IIBD Cc1ccccc1-c1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1C[C@H]1CCCCO1 461815869 OPAJWAHOSMMEOG-OAQYLSRUSA-N 433.512 4.294 5 20 IIBD COc1cc(CN[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c([N+](=O)[O-])cc1F 464075806 YXEQMMUBMAYGIC-QFIPXVFZSA-N 444.484 4.025 5 20 IIBD CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1CC 464722390 FIGGKHYALNXYII-CQSZACIVSA-N 436.555 4.460 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 467837666 FCJQEVMFDZHTHG-CQDKDKBSSA-N 436.295 4.082 5 20 IIBD CCOc1ccc(-n2c(Sc3cc(C)c([N+](=O)[O-])cn3)nnc2-c2ccncc2)cc1 470870936 GYEHHTPRFVQNRL-UHFFFAOYSA-N 434.481 4.491 5 20 IIBD CCc1ccc(C(=O)Nc2cc(NC(=O)CN3CCCC[C@H]3C)ccc2F)cc1[N+](=O)[O-] 471347166 RIAGRAFHAJJQOK-OAHLLOKOSA-N 442.491 4.362 5 20 IIBD CC1CCN(c2ccc(C(=O)Nc3ccc(OCC(C)(C)O)cc3)cc2[N+](=O)[O-])CC1 475491637 HTSKIQNFFPULNG-UHFFFAOYSA-N 427.501 4.233 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)c1[N+](=O)[O-] 479131271 NQHKMVAGKGDUIN-UHFFFAOYSA-N 440.403 4.217 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2nnc3n2CCCC3)CC1 479842899 FSFALDJMFYTVDO-UHFFFAOYSA-N 443.573 4.435 5 20 IIBD CCCS(=O)(=O)N1CCC(N[C@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 480758654 STTBFWHBSAARCI-OAHLLOKOSA-N 437.587 4.178 5 20 IIBD CCCCNS(=O)(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC)c1 482019401 ZIDDJUVBNBNZSU-UHFFFAOYSA-N 437.543 4.038 5 20 IIBD O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)N[C@@H]1CCCC[C@H]1O 483095555 HLACTKKWJWAUDI-IAGOWNOFSA-N 437.855 4.282 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 486168064 VGNWSNIBLGJKDJ-OAHLLOKOSA-N 446.548 4.089 5 20 IIBD Cc1cc(=O)c(C(=O)N(c2ccsc2)C2CCCCC2)nn1-c1ccccc1[N+](=O)[O-] 487235846 VBPYMGNJBBBGJX-UHFFFAOYSA-N 438.509 4.490 5 20 IIBD O=c1c([N+](=O)[O-])cn(Cc2coc(-c3ccc(Br)cc3)n2)c2ccccc12 487936479 WSDRBGFFBWAHAG-UHFFFAOYSA-N 426.226 4.376 5 20 IIBD CC[C@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])Oc1ccccc1C 488622710 CDJQBBBGXSPPQX-CQSZACIVSA-N 426.391 4.432 5 20 IIBD CN(Cc1nc2ccccc2n1C)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 488695966 MJVLTWABRDZOHW-UHFFFAOYSA-N 429.480 4.366 5 20 IIBD O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CCS[C@@H]2COCC[C@@H]21 489021259 VPEWZAAIESEIHC-AZUAARDMSA-N 447.944 4.207 5 20 IIBD O=C(Nc1cccc(Cl)c1Br)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 489078734 RWRSCIRDBFEBSD-UHFFFAOYSA-N 428.674 4.076 5 20 IIBD Cc1cc(Br)cn2cc(CNC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])nc12 489987360 WLMRDBCEIYIQAC-UHFFFAOYSA-N 446.305 4.048 5 20 IIBD COc1cccc(CN(C[C@@H]2CCCO2)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 493007178 XNPDIJPMUDIUJH-UWJYYQICSA-N 427.501 4.364 5 20 IIBD Cc1ccc(CN2CCSCC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 497800348 KHWAJAQBQPEGIW-UHFFFAOYSA-N 437.468 4.306 5 20 IIBD CCOc1cc(CN(C)C(=O)c2ccc([N+](=O)[O-])c3cccnc23)ccc1OC(F)F 497913433 QRAPGLLPBHEPLG-UHFFFAOYSA-N 431.395 4.415 5 20 IIBD COc1cccc([C@H](C)NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)c1 498911019 NVDGIDHNDJIXTA-INIZCTEOSA-N 447.491 4.391 5 20 IIBD CCc1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)nn1-c1c(Cl)cccc1Cl 499287296 KWHAXNKCUWTJLI-UHFFFAOYSA-N 436.255 4.306 5 20 IIBD CSc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 499751790 WPWZPJXKPOIDCT-SNVBAGLBSA-N 431.333 4.119 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 504805132 IUJZLUNOVJSHEV-CYBMUJFWSA-N 426.300 4.475 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 505223320 JRVOLCMITLYYOJ-RBUKOAKNSA-N 449.301 4.221 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(-n3cccn3)c(F)c2)cc1SC 505343362 MZFMLICZBFTWMT-GFCCVEGCSA-N 430.461 4.141 5 20 IIBD C[C@@H](CC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)C1CCCCC1 508870347 MNLWCQBDSHFXJY-ZDUSSCGKSA-N 437.543 4.429 5 20 IIBD CC[C@](C)(NC(=O)c1cc([N+](=O)[O-])cc(I)c1C)c1nccs1 509433444 YBMGIKGQPVFRII-HNNXBMFYSA-N 445.282 4.020 5 20 IIBD Cc1nnc(Sc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C)c(C)c2)s1 509541569 RDVWYRNSSOOEOJ-UHFFFAOYSA-N 436.540 4.324 5 20 IIBD COc1ccc2[nH]cc(C3CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4Cl)CC3)c2c1 511920408 FMRFVEOQCZPTQB-UHFFFAOYSA-N 449.916 4.306 5 20 IIBD CCN(C)C(=O)c1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)c1 512054975 BEQLICHUOYWZGS-UHFFFAOYSA-N 431.448 4.170 5 20 IIBD COc1ccc(CSCC(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)cc1[N+](=O)[O-] 512190544 YIMBERKAJKVLIA-QFBILLFUSA-N 430.526 4.121 5 20 IIBD COc1cc(C)ccc1Oc1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cn1 512519731 TZBGPMRSBFPMKM-UHFFFAOYSA-N 437.408 4.123 5 20 IIBD O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 513682154 PMPXOYWXFLMVPE-UHFFFAOYSA-N 435.436 4.408 5 20 IIBD CN(C)S(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4cccc([N+](=O)[O-])c4)s3)nc2c1 513857368 KRXRKXKBATVYTF-UHFFFAOYSA-N 428.495 4.117 5 20 IIBD O=C(NC1(c2ccc(Br)cc2)CCCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 515678934 YFKPZXIZMTVDHB-UHFFFAOYSA-N 433.258 4.285 5 20 IIBD CCOC(=O)c1cc(C(=O)N[C@@H](c2ccccc2)c2ccccc2OC)cc([N+](=O)[O-])c1 520822885 PQBJWMHZEKLBNN-QFIPXVFZSA-N 434.448 4.300 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2nc(N3CCCC3)sc2c1 521415829 OOFNKKADTTVFTR-UHFFFAOYSA-N 432.527 4.168 5 20 IIBD COc1ccc2[nH]cc(C3=CCN(C(=O)c4ccn(-c5ccc([N+](=O)[O-])cc5)n4)CC3)c2c1 521473357 QYHSHGJLZAPUCI-UHFFFAOYSA-N 443.463 4.200 5 20 IIBD CC(C)c1nccn1Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 521765018 DKRNJBULUDFRMC-UHFFFAOYSA-N 434.905 4.417 5 20 IIBD C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 521930697 ZGYHYYOCQSVJCD-VBKZILBWSA-N 440.887 4.251 5 20 IIBD Cc1ccc(NCCCNC(=O)c2ccccc2OCc2csc(C)n2)c([N+](=O)[O-])c1 523511413 FNNOIOFBJAIMCG-UHFFFAOYSA-N 440.525 4.479 5 20 IIBD Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 524210823 ZKSHOVOMFMXGHY-UHFFFAOYSA-N 448.479 4.472 5 20 IIBD COC(=O)c1ccc(Br)c(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 525798840 FRYBUUZFBVMNGR-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD CCOC(=O)c1c(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)sc2c1CCSC2 534009993 WXWNWOVISKTQGT-UHFFFAOYSA-N 445.522 4.285 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1[N+](=O)[O-] 534207755 ZXOBHXJLHBDJQF-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD COc1ccccc1[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccccn1 535556800 PNCCUPMNSAHWOG-QKKBWIMNSA-N 441.871 4.325 5 20 IIBD O=C(c1cn(-c2ccc(Br)cc2)cn1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 535957042 IQWDNCKRVPQVST-UHFFFAOYSA-N 441.285 4.348 5 20 IIBD COc1ccc(Cl)cc1N(C)C(=O)c1cc(I)cc([N+](=O)[O-])c1 536578315 TXDDLXLEDXIVLA-UHFFFAOYSA-N 446.628 4.138 5 20 IIBD O=C(c1cc(Br)cc(Br)c1)N1CCc2c1cccc2[N+](=O)[O-] 538034786 GKVASEGYOWQYHS-UHFFFAOYSA-N 426.064 4.323 5 20 IIBD COc1cc([C@H](C)NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)ccc1OC1CCCC1 538151664 ULGYNOSQVWNEMW-INIZCTEOSA-N 439.512 4.165 5 20 IIBD Cc1ccc([C@@H](C)NCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] 540477897 YHZZEYKLMABASB-YLJYHZDGSA-N 439.512 4.079 5 20 IIBD O=C(N[C@@H]1CS(=O)(=O)c2ccccc21)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 542527402 HNRIHTLEXQUABH-GOSISDBHSA-N 446.550 4.136 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(CCc3c(Cl)cccc3Cl)no2)ccc1-n1cncn1 545081810 UDZVYSOZMQFARO-UHFFFAOYSA-N 431.239 4.318 5 20 IIBD O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 545340206 XYQCVRHMMQNCCK-PGRDOPGGSA-N 443.475 4.207 5 20 IIBD C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[C@@H](OC1CCOCC1)c1ccccc1 546526229 FFYCJKQOMPETQD-OPAMFIHVSA-N 444.503 4.453 5 20 IIBD CCOc1ccc(-n2c(Sc3ncc([N+](=O)[O-])cn3)nnc2-c2cccs2)cc1 546887987 NWURLOBWQPBIOI-UHFFFAOYSA-N 426.483 4.244 5 20 IIBD Cn1ccc([C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c2ccc(Cl)cc2)n1 547225602 DTUOZZQGCPUNTG-NRFANRHFSA-N 439.903 4.101 5 20 IIBD COc1ccc(CSCc2nc(-c3cccnc3OCC(F)F)no2)cc1[N+](=O)[O-] 547260266 DMMKFJZRNHYBJV-UHFFFAOYSA-N 438.412 4.126 5 20 IIBD C[C@@H](N[C@H](C)c1ccc(-n2cccn2)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 550225877 WYINXHPNTIRFCT-CHWSQXEVSA-N 431.855 4.251 5 20 IIBD O=C(Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2)Nc1ccc([N+](=O)[O-])cc1F 551019526 LJYAQJAEZAHTIW-UHFFFAOYSA-N 426.376 4.082 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N[C@@H](CO)c3ccc(F)cc3)cc2[N+](=O)[O-])n1 552329769 DVTAJYGVPSQLHT-HNNXBMFYSA-N 433.486 4.113 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)Nc1nc(O)c2cc([N+](=O)[O-])ccc2n1 553363506 NLHRVDLPJVWVCC-NSHDSACASA-N 425.445 4.988 5 20 IIBD O=C(N[C@@H]1CCCC[C@H]1Cc1ccccc1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 553444272 YOSBULPWPVEHDD-SIKLNZKXSA-N 435.524 4.004 5 20 IIBD CC(=O)NCC[C@H]1CCCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 557521073 KAQIEZZRZLBSNQ-HXUWFJFHSA-N 447.539 4.186 5 20 IIBD CC1CCN(c2ccc(-c3nc([C@@H](C)CNC(=O)c4ccccc4)no3)cc2[N+](=O)[O-])CC1 558593449 SWTZLVBWHIENGQ-KRWDZBQOSA-N 449.511 4.415 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC1CCN(Cc2ccccc2)CC1 559544271 ZITPIGYNCRIUCN-UHFFFAOYSA-N 432.318 4.060 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CC(C)(C)[C@H]2c2cnn(C)c2)cc1[N+](=O)[O-])c1ccccn1 560561042 HJLNYFDUNBUWNX-YCRPNKLZSA-N 434.500 4.120 5 20 IIBD CC(C)Oc1ccc(Cl)cc1NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 579653928 XRTFEEDUJJAXHJ-UHFFFAOYSA-N 431.876 4.165 5 20 IIBD O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCc2nc(-c3ccccc3Cl)sc2C1 584313716 CJZJVWMHBIUJQJ-UHFFFAOYSA-N 435.914 4.119 5 20 IIBD Cc1c(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)nnn1-c1cccc([N+](=O)[O-])c1 603492141 KBTCCYALVFMCSF-QFIPXVFZSA-N 427.464 4.198 5 20 IIBD COC(=O)C(C)(C)NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 603568241 QXZDHWSPEUAALE-UHFFFAOYSA-N 431.495 4.037 5 20 IIBD Cc1nc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)sc1Cc1ccc(F)cc1 603975073 AVRQXCNOZBKVSL-UHFFFAOYSA-N 429.429 4.113 5 20 IIBD COc1ccc2c(c1)C[C@H](C(=O)Nc1nc(-c3cccc([N+](=O)[O-])c3)c(C)s1)CO2 603997552 NUSLSIDKFOGVLT-HNNXBMFYSA-N 425.466 4.225 5 20 IIBD CN(CCCc1cc(-c2ccc(F)cc2)no1)CCC(=O)Nc1ccccc1[N+](=O)[O-] 608780201 KPDXKLBUUYERBC-UHFFFAOYSA-N 426.448 4.282 5 20 IIBD Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C2)cc1 609045302 UIWONBSXMREULA-MRXNPFEDSA-N 436.468 4.323 5 20 IIBD O=C(c1ccc(C(=O)N2CC[C@H](c3ccco3)C2)c([N+](=O)[O-])c1)N1CC[C@H](c2ccco2)C1 609549523 GCHRUSAFWKRXBJ-ROUUACIJSA-N 449.463 4.040 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@H](c2cccc(Br)c2)C1 609792804 ITISHJTUEKXPPQ-KRWDZBQOSA-N 439.693 4.153 5 20 IIBD CCOC(=O)c1c(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)sc(C)c1CC 609886906 AMLZSZUBQNMZJQ-UHFFFAOYSA-N 429.454 4.210 5 20 IIBD O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CC[C@@H](CN2CCCC2)C1 610069780 VMQOURNHIUEIAK-KRWDZBQOSA-N 442.947 4.418 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NC2(c3cccc(Br)c3)CC2)cc1OC 610118703 BQRAPNAPXNWJGE-UHFFFAOYSA-N 435.274 4.184 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNCCc2ccc(CO)cc2)cc1 611443383 JOKHMXGRALCLRE-UHFFFAOYSA-N 428.492 4.272 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H](C)[C@H]2CCCCO2)cc1[N+](=O)[O-] 611476478 HTZSBTLGGZQKAG-IFXJQAMLSA-N 428.510 4.235 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@H](C)c1sc(-c2ccccc2)nc1C 619490923 SGDDJEAXSZYVBA-CQSZACIVSA-N 447.538 4.417 5 20 IIBD CCOc1cc(N2CCN(C(=O)CCCCCc3ccc(O)cc3)CC2)ccc1[N+](=O)[O-] 619507007 QLCWSTLBEDMARC-UHFFFAOYSA-N 441.528 4.151 5 20 IIBD C[C@H](OC(=O)Cc1cccc(Br)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 725983486 VGFSONZNFRWRKQ-NSHDSACASA-N 432.230 4.254 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@H](C)c1c(Cl)cccc1Cl 726028997 IRMGJWGKRUGYKS-SNVBAGLBSA-N 427.240 4.196 5 20 IIBD Cc1c(C(=O)NC[C@@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)cccc1[N+](=O)[O-] 728971297 CEEONEMLZYNFOU-MRXNPFEDSA-N 436.308 4.102 5 20 IIBD CC[C@H](C)[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])C(=O)Nc1cccc(N2CCCC2)c1 729369824 NIICADMBKUGMNP-YCRPNKLZSA-N 442.491 4.117 5 20 IIBD O=C(NC[C@H](O)c1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 730840675 XPZZSFJSIJJJKE-IBGZPJMESA-N 437.418 4.067 5 20 IIBD Cc1ccc(C(C)C)c(O[C@H](C)C(=O)O[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 731514124 PDYAVAGUWJBWHN-OXQOHEQNSA-N 426.469 4.143 5 20 IIBD COc1ccc(CCNC(=O)c2ccccc2N(C)C(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1 732087847 GEHMKHSACJCQRM-UHFFFAOYSA-N 447.491 4.161 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)O[C@H]1CCN(c2ccccc2Cl)C1=O 732322566 MZRMICONGKCPQJ-QFIPXVFZSA-N 446.890 4.157 5 20 IIBD O=C(Cc1csc(-c2ccc3c(c2)OCO3)n1)OCc1ccc(Cl)c([N+](=O)[O-])c1 735902873 GQHMFBFVQDXTJN-UHFFFAOYSA-N 432.841 4.386 5 20 IIBD C[C@@H](OC(=O)c1cccc(C(F)(F)F)c1N)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 741003371 ZYXUOHJQMYTLHD-MRVPVSSYSA-N 431.754 4.033 5 20 IIBD CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)OCCOc2ccccc2[N+](=O)[O-])c1 745119120 PGINFNYOONQHKB-UHFFFAOYSA-N 435.864 4.404 5 20 IIBD Cc1ccc(-n2c(SC[C@H](O)c3cccc([N+](=O)[O-])c3)nnc2-c2ccncc2)cc1 749663303 OMACKXOKPJKWBZ-FQEVSTJZSA-N 433.493 4.372 5 20 IIBD O=C(c1cnc(-c2ccccc2)nc1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 750584054 ZQNXGESBHJFEJN-UHFFFAOYSA-N 439.269 4.013 5 20 IIBD Cc1nnc(Sc2ccc(NC(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)c(C)c2)s1 751201106 ZPZMRRUWWYATDJ-UHFFFAOYSA-N 440.510 4.203 5 20 IIBD Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])c(Br)cc2F)cc1C 751692168 MGHBYTHJYVSFMQ-NSHDSACASA-N 439.237 4.297 5 20 IIBD C/C(=C/C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc([N+](=O)[O-])cc1 752342555 CVQQPOZPFZEJRI-MMRAYRKESA-N 433.804 4.130 5 20 IIBD Cc1c(Br)cc(C(=O)OCc2cc(F)cc3c2OCOC3)cc1[N+](=O)[O-] 753431129 ISSHJVNFZAOFDO-UHFFFAOYSA-N 426.194 4.028 5 20 IIBD CCc1ccc([C@@H](NC[C@@H](O)c2cc(OC)cc(OC)c2)c2ccc([N+](=O)[O-])cc2)o1 753672539 WSVJUJRATLVWDF-GGAORHGYSA-N 426.469 4.180 5 20 IIBD CCOc1cc(NC(=O)N2CCC[C@@H]2C[C@H](O)c2ccco2)c([N+](=O)[O-])cc1OCC 758521508 HHXUUKOIAPHYCJ-PBHICJAKSA-N 433.461 4.105 5 20 IIBD Cc1cc(F)cc(C(=O)Nc2ccc(C(=O)NCc3ccccn3)c(Cl)c2)c1[N+](=O)[O-] 760377787 MAIMHQXKCUCFHO-UHFFFAOYSA-N 442.834 4.273 5 20 IIBD Cc1ccccc1CCc1cc(NC(=O)c2cccc([N+](=O)[O-])c2Br)n[nH]1 760868286 RXZVJIRHAXIKBH-UHFFFAOYSA-N 429.274 4.426 5 20 IIBD C[C@@H]1C[C@@H](C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCC1=O 761468487 PNBVUSKGAWNHSO-AFBRZQFHSA-N 444.871 4.477 5 20 IIBD C[C@H](C(=O)OCc1nc(-c2ccc(Br)s2)no1)c1cccc([N+](=O)[O-])c1 763403040 OFJOWOKRFBVAJY-VIFPVBQESA-N 438.259 4.316 5 20 IIBD C[C@@H](C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1c(F)cccc1F 763822866 POACBKUMTIEFLK-SECBINFHSA-N 432.301 4.177 5 20 IIBD O=C(N1CCC(O)(c2ccccc2C(F)(F)F)CC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 765100545 GJYKCIVKAXYEIE-UHFFFAOYSA-N 444.356 4.216 5 20 IIBD C[C@@H](NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 765596168 RXAJEEICWFJMAC-QZTJIDSGSA-N 432.565 4.189 5 20 IIBD CCOc1cc(NC(=O)N[C@@H](C)C[C@@H](O)c2ccc(F)cc2)c([N+](=O)[O-])cc1OCC 765871960 TWINAZMVTISCKF-SCLBCKFNSA-N 435.452 4.165 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 766108875 JVZPOFVCIMXMLU-ZJSXRUAMSA-N 448.567 4.322 5 20 IIBD O=C(COC(=O)/C=C/c1ccc2[nH]ccc2c1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 766178295 NXDWAXTWPWGHQZ-QHHAFSJGSA-N 433.342 4.290 5 20 IIBD CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@H]1CCN(CC(F)(F)F)C1=O 769415768 ZYGVQXOYAVCCNT-HNNXBMFYSA-N 431.798 4.103 5 20 IIBD CC(C)[C@H](OC(=O)c1sc(Br)cc1[N+](=O)[O-])C(=O)N1CCCC[C@@H]1C 773604618 LFBICEOXYAQETI-GWCFXTLKSA-N 433.324 4.001 5 20 IIBD COC[C@@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 774049994 LMFANQZQNVGISD-CQSZACIVSA-N 430.205 4.145 5 20 IIBD Cc1cc(COC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)ns1 774780203 WBSNAMPMWPHBBC-UHFFFAOYSA-N 429.420 4.338 5 20 IIBD O=[N+]([O-])c1cccc(NS(=O)(=O)Cc2cccc(C(F)(F)F)c2)c1Br 775200749 FAIIEJFCHWBFHW-UHFFFAOYSA-N 439.209 4.318 5 20 IIBD CC1=C(C(=O)Nc2ccc(C)cc2Cl)[C@@H](c2ccc([N+](=O)[O-])cc2F)NC(=S)N1 777942964 CIVJCXOGSDRBHZ-QGZVFWFLSA-N 434.880 4.127 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCc2c(ncn2-c2ccccc2)C1 777996133 SOORCEBJKKWGPB-UHFFFAOYSA-N 433.346 4.270 5 20 IIBD CCC[C@@H]1C[C@@H](C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 780167047 VNGWKSRZNSJWCH-MBNYWOFBSA-N 432.395 4.079 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCc2c(ncn2-c2ccc(F)cc2)C1 781385046 KQSXOZGPVRNILU-UHFFFAOYSA-N 449.486 4.108 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Oc1cccc(NC(=O)c2cccs2)c1 781673348 ZWGDCNCJQAZGHE-UHFFFAOYSA-N 441.421 4.355 5 20 IIBD C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 782379039 HRPKKZHZCHOSAW-LLVKDONJSA-N 437.330 4.174 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 783109994 GPCJQPAZDOWYQA-UHFFFAOYSA-N 434.836 4.172 5 20 IIBD CO[C@@H]1Cc2ccc(NC(=O)c3ccn(-c4c(Cl)cc([N+](=O)[O-])cc4Cl)n3)cc2C1 784216366 RDALLIYMLGLAPY-OAHLLOKOSA-N 447.278 4.453 5 20 IIBD COc1ccc(Cl)cc1C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 786784895 GDZGRIOIQSLDBL-AWEZNQCLSA-N 438.933 4.119 5 20 IIBD O=C(COc1ccc(C2SCCCS2)cc1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 787507092 HURHZXKMPZNTJK-UHFFFAOYSA-N 446.550 4.132 5 20 IIBD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)c3cc([N+](=O)[O-])cc(C)c3F)ccc21 790408015 BSBNRDPVUFAKDX-UHFFFAOYSA-N 426.448 4.118 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)n([C@H]2CCN(Cc3ccccc3)C2)n1 790865538 HZOVSVZYPJJFAX-SFHVURJKSA-N 437.475 4.247 5 20 IIBD Cc1cc(CN(CC(C)C)C(=O)c2cc([N+](=O)[O-])cc(C)c2F)nc(N2CCCCC2)n1 790905157 IJVFXRKEOWFGSJ-UHFFFAOYSA-N 443.523 4.429 5 20 IIBD CCc1c(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cnn1-c1ccccc1Cl 791576791 NSGFHRBMTCOJFX-HXUWFJFHSA-N 439.859 4.128 5 20 IIBD CN(Cc1ccccc1N1CCCC1)C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 792956104 NGLFZCMRFGQZHM-UHFFFAOYSA-N 438.528 4.090 5 20 IIBD CCn1nc(C)c([N+](=O)[O-])c1Nc1ccc(N2CCC(OC)CC2)c(C(F)(F)F)c1 795084900 ITBWHHNQRHDEIX-UHFFFAOYSA-N 427.427 4.497 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@@H]1COc2cc(F)c(Br)cc21 799948561 WYDHTPHTEIISSP-CQSZACIVSA-N 444.644 4.083 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N[C@H](c2ccccc2)c2cccnc2)c(Cl)cc1Cl 809817259 YYPBMAOTHLWQTQ-GOSISDBHSA-N 438.292 4.365 5 20 IIBD CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)cn1 809919303 FHJWCOTTWUFXFT-LJQANCHMSA-N 443.891 4.232 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)C1 810953238 YEEWCKLYVAIMDV-OAHLLOKOSA-N 437.924 4.357 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NC1(CCOCc2ccccc2)CC1 811846699 NZHAHJGUOMDONI-UHFFFAOYSA-N 426.441 4.143 5 20 IIBD COc1ccc([C@@H](O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 812641130 IQTWCMLRKFYJEB-LJQANCHMSA-N 438.402 4.208 5 20 IIBD COCc1ncc(COC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)s1 814000559 BEHYXYVXQXQLPC-CYBMUJFWSA-N 428.470 4.123 5 20 IIBD C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(N2CCCOC2=O)cc1 817277963 GPDRGNZOMMPVOR-GFCCVEGCSA-N 437.374 4.451 5 20 IIBD COc1cc(C(=O)N[C@H](C)c2ccc(C(F)(F)F)nc2Cl)c([N+](=O)[O-])cc1OC 817874008 CAIJPLMVKKZGST-MRVPVSSYSA-N 433.770 4.170 5 20 IIBD C[C@@H](OC(=O)c1ccc(O)c(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 848951256 XUIJEVLXSLXNLG-MRVPVSSYSA-N 432.738 4.157 5 20 IIBD CC(C)[C@@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)N[C@H]1CCOc2ccccc21 877196864 LNZIDNGIYFLJDU-QFBILLFUSA-N 432.860 4.070 5 20 IIBD O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(C2SCCS2)cc1 914885233 PZFIKCJRGQWJTA-UHFFFAOYSA-N 429.479 4.480 5 20 IIBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 917341665 HJUKFWYABONTHP-UHFFFAOYSA-N 439.859 4.145 5 20 IIBD O=C1N[C@H](c2ccc(-c3cccc([N+](=O)[O-])c3)s2)Nc2ccc(N3CCOCC3)cc21 917499336 DFPGHKXYNVDATA-OAQYLSRUSA-N 436.493 4.014 5 20 IIBD COc1cc(NC(=O)C(C)(C)C)c(C(=O)OCc2cc(F)ccc2[N+](=O)[O-])cc1OC 918816758 VHVBQJYFOWTPOK-UHFFFAOYSA-N 434.420 4.093 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1[nH]c2ccccc2c1Br 919145033 PFPWSOQXYRZKQB-UHFFFAOYSA-N 443.213 4.246 5 20 IIBD CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc(-c3cc(C)c([N+](=O)[O-])cc3C)no2)cc1 1116612110 FEEPJTABLBXPGR-AWEZNQCLSA-N 430.486 4.005 5 20 IIBD Cc1cc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])ccc1N1CCCC1=O 1317866613 MUUQDNXUYKYUMS-UHFFFAOYSA-N 437.374 4.223 5 20 IIBD C[C@@H](CO)NC(=O)c1ccc(NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1 1321607291 JBPQZXZGBNXHFU-ZDUSSCGKSA-N 429.860 4.231 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Oc3ccc(N4CCOC4=O)cc3)cc2[N+](=O)[O-])C1 1341788229 UWJZTBOSAAMNDX-IYBDPMFKSA-N 439.468 4.253 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1COC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 1343991599 SOERHKNDPDZZBC-UHFFFAOYSA-N 431.452 4.155 5 20 IIBD Cc1c(F)cccc1C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1 1790183592 JYQCYJUMVYNXEM-UHFFFAOYSA-N 436.443 4.432 5 20 IIBD CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccc(Cl)cc3[N+](=O)[O-])n[nH]2)CC1 1814845214 XNSOJIYAPITGDZ-MRXNPFEDSA-N 445.907 4.006 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC([C@H]2CCCCN2C(=O)C2=CCCC2)CC1 1826277767 AXSXNUTUJMHRBX-OAQYLSRUSA-N 429.492 4.078 5 20 IIBD C/C=C(/C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(C)c([N+](=O)[O-])c2)CC1 1830364465 QNUDLGDBPUZVEV-QNFWUTSZSA-N 427.545 4.032 5 20 IIBD CCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1831388093 VFULUZYPLBEFGL-FQEVSTJZSA-N 433.524 4.403 5 20 IIBD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@@H]2CCCCN2C(=O)C2CC3(CCC3)C2)CC1 1832470728 VIJXAXFMXWCIKZ-SFHVURJKSA-N 429.517 4.001 5 20 IIBD Cc1ccc(CC(=O)N2CC3(CCCN3C(=O)[C@H](c3ccccc3)C(C)C)C2)cc1[N+](=O)[O-] 1841407150 UURAJWXDSVQTFK-DEOSSOPVSA-N 449.551 4.089 5 20 IIBD C[C@@H](CC(=O)N1CCCC12CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])C2)c1ccccc1 1846045614 YBNWDNHMQUIHTG-HYSAVQALSA-N 433.508 4.005 5 20 IIBD C[C@@H](OC(=O)c1ccc(OC(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9349651 KIRHKVDJZOCNBE-SECBINFHSA-N 448.300 4.399 5 20 IIBD O=C(COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(OCc2ccccc2)cc1 10760342 PAMVJKGDGGQQEJ-OVCLIPMQSA-N 432.432 4.369 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)c1ccc(Br)s1)c1ccccc1[N+](=O)[O-] 16144733 TXRIZBXIRRFDOV-GFCCVEGCSA-N 441.303 4.232 5 20 IIBD C[C@H](OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1OC(F)F 17048822 VUXPLUJNDFDXKM-RYUDHWBXSA-N 440.424 4.247 5 20 IIBD Cc1cccc(C(=O)Nc2ccccc2C(=O)OCC(=O)Nc2c(C)cccc2[N+](=O)[O-])c1 21990293 LEINXBYFUIBORU-UHFFFAOYSA-N 447.447 4.259 5 20 IIBD Cc1cccc(OCCNC(=O)[C@H](C)Sc2nc3cc4ccccc4cc3c(=O)n2C)c1 26580940 JMAGWDZVJKTQAJ-KRWDZBQOSA-N 447.560 4.071 5 20 IIBD Cc1ccc2nc([C@H]3CCCN3S(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)[nH]c2c1 60919792 ZQWPOIPPUUZSDV-QGZVFWFLSA-N 434.905 4.267 5 20 IIBD Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)Nc1cccc([N+](=O)[O-])c1C 68968156 CBBORPPAKITAAG-HNNXBMFYSA-N 431.514 4.027 5 20 IIBD COc1cc(C)c([C@@H](C)NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1OC 97326257 UUPNXKHOIRBBKN-MRXNPFEDSA-N 427.501 4.014 5 20 IIBD COc1cc(CNCc2ccc(N3CCCC3)nc2)ccc1OCc1ccc([N+](=O)[O-])cc1 237249836 GBODQOCTYGVVBQ-UHFFFAOYSA-N 448.523 4.467 5 20 IIBD Cn1ccnc1C(=O)c1ccc(Oc2ccc(Br)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 301458832 NOOCGMNZMSEUNI-UHFFFAOYSA-N 447.201 4.022 5 20 IIBD CN(Cc1ncc(-c2ccccc2)[nH]1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 426256145 KLKVWUDJHJRKKU-UHFFFAOYSA-N 433.390 4.345 5 20 IIBD O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)c1 426993987 FRDFJYYLSSGUJT-NQIIRXRSSA-N 442.903 4.215 5 20 IIBD CC1(C)CCCc2sc(NC(=O)c3cc([N+](=O)[O-])ccc3Sc3nc[nH]n3)nc21 427620884 KXQMNIZCXDAVSF-UHFFFAOYSA-N 430.515 4.187 5 20 IIBD C[C@@H](Cc1cccc(O)c1)NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 427657789 SARAPRBZTRPPJS-NSHDSACASA-N 435.267 4.154 5 20 IIBD CC(C)n1cnnc1CN(C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 429278845 RQVZRNDEOUFRPS-HXUWFJFHSA-N 442.907 4.232 5 20 IIBD CN(C)[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1ccc(F)cc1 436067871 RVHPJZZIPVYZCU-HXUWFJFHSA-N 439.437 4.131 5 20 IIBD COc1ccc(Br)c(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 438011110 ZFQSBGRUQBDJPB-UHFFFAOYSA-N 434.290 4.240 5 20 IIBD COC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C[C@H](C)O1 439953472 WYRVTSJCHWXKMI-BBRMVZONSA-N 436.917 4.275 5 20 IIBD Cc1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c(OC(C)(C)C)c1 440649052 PZDXMDDKVOSYCH-MRXNPFEDSA-N 445.541 4.063 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 445156038 GYZDQXMSWZPZDA-NVXWUHKLSA-N 426.256 4.032 5 20 IIBD O=C(CCC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1cc(Cl)sc1Cl 445847401 CHFIMXUVJOFZRW-UHFFFAOYSA-N 442.324 4.275 5 20 IIBD CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])C1 446424195 BHZQYBFWEUIVNE-HKUYNNGSSA-N 439.512 4.397 5 20 IIBD CCCc1c(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cnn1-c1cccc(C)c1 446984929 NONWDHZNXPABIL-UHFFFAOYSA-N 430.468 4.479 5 20 IIBD Cc1nn(-c2ccc(Br)cc2)c(NC(=O)Cc2cccc([N+](=O)[O-])c2)c1C 460138021 GSFWSOFUXSSRKA-UHFFFAOYSA-N 429.274 4.341 5 20 IIBD C[C@H](Nc1nc2sccn2c1[N+](=O)[O-])c1ccc(Br)cc1OCCCO 461997251 MAZBVWVAROPNTO-JTQLQIEISA-N 441.307 4.001 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1CN1C[C@H](C)O[C@H](C)C1 462427444 LOWDTZVMZABTBW-SVFBPWRDSA-N 439.556 4.089 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)c1cccc(CS(=O)(=O)c2ccccc2)c1 463135154 UZZRTMWIOAKBLP-UHFFFAOYSA-N 447.472 4.369 5 20 IIBD COc1ccc(-c2nc(C(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)cs2)cc1 464659294 HAKQNJFOCHKSMH-UHFFFAOYSA-N 439.493 4.411 5 20 IIBD Cc1sc(S(=O)(=O)Nc2ccccc2NC(=O)Cc2cccs2)cc1[N+](=O)[O-] 466958866 YUKGKAGAKUPTRV-UHFFFAOYSA-N 437.524 4.008 5 20 IIBD COc1cc(C(=O)N2CCC[C@H]2C(C)(C)O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 468791543 BVCGYVNIARHXEK-IBGZPJMESA-N 434.876 4.425 5 20 IIBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cccc(-n2ccc(C(F)(F)F)n2)c1 471146615 CWLNDKGPUCIXJT-UHFFFAOYSA-N 448.357 4.213 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 471504277 SFIFDOQAVGRQAD-NVXWUHKLSA-N 446.500 4.455 5 20 IIBD C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C1CC1 472706583 UEQGVPXDDCDGID-NSHDSACASA-N 439.365 4.443 5 20 IIBD Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 472963894 FTDXLNVAPQDQIS-INIZCTEOSA-N 431.452 4.275 5 20 IIBD Cc1cc(N[C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)c(Br)cc1[N+](=O)[O-] 473516954 FPOODDLKTFQXLW-CYBMUJFWSA-N 448.317 4.496 5 20 IIBD COc1cc(CCNC(=O)N2CCC[C@H]2c2cc(C)ccc2C)c([N+](=O)[O-])cc1OC 475013135 BZMCMWVLLXCJLK-IBGZPJMESA-N 427.501 4.318 5 20 IIBD COc1cc(CCNC(=O)N2CCC[C@@H]2c2cc(C)ccc2C)c([N+](=O)[O-])cc1OC 475013136 BZMCMWVLLXCJLK-LJQANCHMSA-N 427.501 4.318 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 475865107 TYXJDMZQOTVWDS-MRXNPFEDSA-N 430.766 4.202 5 20 IIBD O=C(NCCc1nc(-c2ccncc2)cs1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 479647013 WHYRDKSSZLINGA-UHFFFAOYSA-N 437.506 4.209 5 20 IIBD C[C@@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F 480441517 CFSZUZMOYMSSJS-GFCCVEGCSA-N 440.410 4.477 5 20 IIBD O=C(NCc1ccc(OCC2CC2)nc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 486514663 FTSSDSQXEJVVRD-UHFFFAOYSA-N 433.464 4.288 5 20 IIBD O=C(CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)Nc1ccc(F)cc1 486604358 ITRKQHVOIMNARC-UHFFFAOYSA-N 425.441 4.254 5 20 IIBD CC(C)(C)Oc1cccc(CCC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 486750902 QZGXNTFFWGUOLI-UHFFFAOYSA-N 425.407 4.435 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[S@@](=O)C2CCOCC2)c1 486752590 LKRKQAMFNVXXAA-SSEXGKCCSA-N 448.566 4.387 5 20 IIBD CC(C)c1c(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cnn1-c1ccccc1Cl 487043982 KNBWUWAYOSEHKT-UHFFFAOYSA-N 442.907 4.231 5 20 IIBD CC[C@@H](NC(=O)N[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C)c1cccc([N+](=O)[O-])c1 488308287 UQXWASGIMREHSQ-MEDUHNTESA-N 427.427 4.482 5 20 IIBD CC[C@H](C)c1nc([C@@H](C)NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)n[nH]1 489169492 PKUJVVJEZWKWCR-SOUVJXGZSA-N 437.504 4.286 5 20 IIBD Cc1nc2[nH]c(SCCC(=O)Nc3ccccc3[N+](=O)[O-])nc2cc1Br 489803484 HGPFJYVODLWZKQ-UHFFFAOYSA-N 436.291 4.058 5 20 IIBD O=C(Nc1ccc(N2CCOCC2)c2ccncc12)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 494236091 AWPPJKDPUQSGPR-UHFFFAOYSA-N 447.495 4.176 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1cc(Cl)c(F)c(Cl)c1 494882511 ZYZGVOMHPFZVRE-UHFFFAOYSA-N 428.203 4.368 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(CN3CCO[C@H](c4ccc(OC(F)F)cc4)C3)co2)cc1 499257060 RSBFPUNAXMOVRO-IBGZPJMESA-N 431.395 4.425 5 20 IIBD COc1cc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccc[nH]2)cc([N+](=O)[O-])c1OC 499349600 HYDYXCLERSLMFI-UHFFFAOYSA-N 429.816 4.077 5 20 IIBD O=C(NCc1ccc(OC2CCCC2)nc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 501328931 FRLFADCIPVVIAZ-UHFFFAOYSA-N 439.390 4.182 5 20 IIBD COc1ccc(CNC(=O)NC2(c3cccc(Br)c3)CCC2)cc1[N+](=O)[O-] 503346788 RDWGIUQLPNCZQF-UHFFFAOYSA-N 434.290 4.245 5 20 IIBD COc1ccc(Br)cc1C(=O)CCc1nc(-c2cccc([N+](=O)[O-])c2)no1 505002105 CMJGXPWDBWNULE-UHFFFAOYSA-N 432.230 4.231 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cscc1Br 506027597 RVEQRUXFGYRLMR-UHFFFAOYSA-N 438.225 4.280 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 511143057 ZYTPWDWODNUKBV-LJQANCHMSA-N 438.509 4.102 5 20 IIBD CCOc1cc(NC(=O)N[C@H](C)[C@H]2CCCN(C3CCC3)C2)c([N+](=O)[O-])cc1OCC 511226907 FVWUMLKTRQXSLO-CVEARBPZSA-N 434.537 4.167 5 20 IIBD COc1ccc(F)cc1NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] 513303148 DYDRRKPGCPQYHW-UHFFFAOYSA-N 433.417 4.039 5 20 IIBD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCN[C@@H](c2cccc(Cl)c2)C1 513988796 DCBULVNLTNYMJH-QGZVFWFLSA-N 428.901 4.158 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 516786382 WESVKNJACOFNOE-QGZVFWFLSA-N 444.340 4.017 5 20 IIBD COc1ccc([C@@H](Cc2ccc(F)cc2)N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 517556817 YZGRSGFXUMXKPC-BJKOFHAPSA-N 449.482 4.421 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)cc([N+](=O)[O-])c1 518913080 OGCXSVPYECYFIN-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@H](C)c2nc(C(C)(C)C)cs2)ccc1[N+](=O)[O-] 520732888 VTPRLAWYVCQYQY-PBHICJAKSA-N 444.557 4.139 5 20 IIBD CS(=O)(=O)c1ccc(CNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 524223329 NLCITANBVAEAKG-UHFFFAOYSA-N 441.465 4.112 5 20 IIBD Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)C2)cc1 524262899 SCNIEIRANZTADV-QGZVFWFLSA-N 442.541 4.056 5 20 IIBD CC(C)CCSc1ccc(C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)cc1[N+](=O)[O-] 524834669 XUPLIKIOUSHPPM-UHFFFAOYSA-N 444.557 4.146 5 20 IIBD Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 524955649 ZFSGDPLKTRYALI-UHFFFAOYSA-N 440.456 4.397 5 20 IIBD O=C(CN1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1)Nc1ccccc1[N+](=O)[O-] 532682269 ATVATIVLZRSNEG-HNNXBMFYSA-N 441.875 4.116 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC(F)(F)F)cc1 536468016 RUSLUUOFZYNJSH-UHFFFAOYSA-N 444.387 4.401 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](c1ccc(Br)cc1)C1CCC1 537075563 WXKGRHYXBVRWLJ-FQEVSTJZSA-N 448.317 4.435 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cc(OC)c(Br)c(OC)c1 537234586 DRFNTLNUQMZHMK-UHFFFAOYSA-N 426.223 4.027 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 538507168 KXEJKUGKYDDCHB-GOSISDBHSA-N 441.553 4.059 5 20 IIBD O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1ccc(Br)cc1[N+](=O)[O-] 539150728 YUQLRJDVLBUOND-ZBFHGGJFSA-N 443.656 4.410 5 20 IIBD CSc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2I)c1C 539347366 ROSRUINZQNLPGA-UHFFFAOYSA-N 428.251 4.482 5 20 IIBD Cc1ccc([C@H](C)NCc2nc(Cc3cccc(Br)c3)no2)cc1[N+](=O)[O-] 540480689 ROZNYBAGDFNVRR-ZDUSSCGKSA-N 431.290 4.490 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CC(N)=O)c1cccc(Cl)c1 540765706 IOCUBCGUTJSEDY-QGZVFWFLSA-N 435.933 4.487 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCCc1ccc(F)c(F)c1F 541350732 NXWVMLYRRMYYDX-UHFFFAOYSA-N 438.349 4.482 5 20 IIBD C[C@@H](C(=O)NCc1ccc(N2CCc3ccccc3C2)nc1)c1ccc([N+](=O)[O-])cc1F 541613088 MZGJRQKVBLCFOZ-MRXNPFEDSA-N 434.471 4.112 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1C[C@@H]2CCC[C@@]2(C(=O)O)C1 543063943 IHCWLLDZKRQRRP-LHSJRXKWSA-N 430.844 4.367 5 20 IIBD COc1ccc(CN(C)C2CCC(NC(C)=O)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 543393026 OXSBCRBDURPOQM-UHFFFAOYSA-N 441.528 4.062 5 20 IIBD Cc1c([C@@H](C)N[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cnn1C 543519941 XLZCWCKPLFPSIP-ZUOKHONESA-N 427.892 4.321 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1Cn1cnc2cc(F)c(Br)cc2c1=O 544077907 CFULPLSBZUSJOK-UHFFFAOYSA-N 436.237 4.042 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2NC(=O)Cc2cccs2)c1 544640013 LMYXQNFSGONIDN-UHFFFAOYSA-N 445.522 4.255 5 20 IIBD O=[N+]([O-])c1ccc(Cc2noc(-c3cc(-c4ccncc4)on3)n2)c(Br)c1 545016576 ZSGZEQIYYWTJGT-UHFFFAOYSA-N 428.202 4.048 5 20 IIBD CCc1ccccc1-n1cnnc1SCc1nc(Cc2cccc([N+](=O)[O-])c2C)no1 545070451 VKXHWODTOBZJAF-UHFFFAOYSA-N 436.497 4.312 5 20 IIBD O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(COc4ccccc4Br)n3)c2c1 545074602 XEHCVLJWHSHHLN-UHFFFAOYSA-N 429.230 4.391 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCCO1)c1cc([N+](=O)[O-])cc2c1OCCO2 548622532 GQICQXYKANYWKN-OAHLLOKOSA-N 448.859 4.220 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@H]3c3ccc(Br)cn3)n2)cc1 550683452 ZQNPWTVTVSPPTL-INIZCTEOSA-N 430.262 4.139 5 20 IIBD CCc1ccc(C(=O)N(CCn2ccnc2)Cc2ccc(Br)o2)cc1[N+](=O)[O-] 553154026 UOWSQLBZJNALDC-UHFFFAOYSA-N 447.289 4.052 5 20 IIBD Cc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c2ccccn2)cc1 556552452 CZARKPHXHVAENC-JOCHJYFZSA-N 446.507 4.440 5 20 IIBD COc1ccc(Cn2cc(NC(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)cn2)cc1 556586658 QERQOESWLIFMEO-UHFFFAOYSA-N 445.273 4.171 5 20 IIBD CCN1CCC(CNC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 557700728 GINZHFAIMMTVGA-UHFFFAOYSA-N 441.553 4.009 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)c(Cl)c1 561558989 GRKBVHNMKMZRDW-UHFFFAOYSA-N 437.880 4.437 5 20 IIBD O=C1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)[C@@H](C2CC2)N1 568670171 PARPRMWOJPKZER-FXAWDEMLSA-N 445.928 4.186 5 20 IIBD O=C(Nc1c(-c2cccs2)nc2ccccn12)c1cc(O)nc2ccc([N+](=O)[O-])cc12 571989314 SRAODZITKIMYOD-UHFFFAOYSA-N 431.433 4.477 5 20 IIBD Cc1cc(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc(N2CCCC2)n1 581916672 LRBDFKAQQBTDQM-UHFFFAOYSA-N 448.473 4.193 5 20 IIBD CS(=O)(=O)c1cc(CNc2ccc([N+](=O)[O-])c3cccnc23)cc(C(F)(F)F)c1 588045438 GVEDMIQOVAFLRF-UHFFFAOYSA-N 425.388 4.177 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC(c2nc3ccccc3s2)CC1 589393323 LYJJNRFBYUOWJZ-UHFFFAOYSA-N 438.509 4.112 5 20 IIBD O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 589996163 VOAABJJJEXYBNV-IBGZPJMESA-N 441.553 4.448 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N[C@H]1CC[C@](O)(C(F)(F)F)C1 590118697 ZPTXAWGXUWOIQK-SCLBCKFNSA-N 425.363 4.355 5 20 IIBD CCOc1ccc(Oc2ccccc2NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)cc1 603718147 SUSAOHVJNYCVDC-UHFFFAOYSA-N 435.436 4.154 5 20 IIBD Cc1nc(-c2ccc(CNC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)s2)cs1 603733679 BKYIYVZFIWJABX-UHFFFAOYSA-N 425.495 4.204 5 20 IIBD CCc1ccc(-c2nc(CN3CCN(C(=O)c4ccc([N+](=O)[O-])s4)CC3)cs2)cc1 603848076 HWPULUGWVPPAPA-UHFFFAOYSA-N 442.566 4.300 5 20 IIBD C[C@@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 603983171 LTLYGXFJWCLQJF-CYBMUJFWSA-N 437.905 4.064 5 20 IIBD CN(CCCCCc1cc(-c2ccccc2)n[nH]1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 604127266 PREROAOFIJGXRD-UHFFFAOYSA-N 428.514 4.018 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC[C@H](c4ncc[nH]4)C3)cc2[N+](=O)[O-])n1 609025198 HWYDRCFMYUGOAR-AWEZNQCLSA-N 429.527 4.254 5 20 IIBD COCCCN1Cc2cccc(N[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c2C1 609076093 KDLLZYHEDICPHP-AWEZNQCLSA-N 432.908 4.039 5 20 IIBD C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1 609856777 JULPQNIGVIMXNV-CYBMUJFWSA-N 448.882 4.453 5 20 IIBD Cc1ccc(S(=O)(=O)N(Cc2noc3c2CCCC3)c2cccc([N+](=O)[O-])c2)c(C)c1 609894159 HQODHZGOPUBSHB-UHFFFAOYSA-N 441.509 4.474 5 20 IIBD CCOC(=O)c1ccnc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1[N+](=O)[O-] 609963493 RGYBDALSRVJBCK-OAHLLOKOSA-N 426.256 4.051 5 20 IIBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C)c1ccc(Oc2ccccc2)cc1 610114338 HGCPXMTVZORDAQ-YWZLYKJASA-N 437.500 4.497 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCO[C@@H]([C@H]2CCCO2)C1 610687730 TZQUOWZBUNOSHG-WOJBJXKFSA-N 432.860 4.061 5 20 IIBD COc1cccc([C@H](C)c2noc(-c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)n2)c1 612917565 NMLQFVUIQNXPCY-LBPRGKRZSA-N 438.469 4.085 5 20 IIBD CCOc1cc(NC(=O)[C@@H](NC(=O)c2ccc(C)cc2)C(C)C)c([N+](=O)[O-])cc1OCC 619212784 SAEKWZLEJCAULP-NRFANRHFSA-N 443.500 4.094 5 20 IIBD COc1ccc(Cl)cc1-c1cc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)n[nH]1 725902374 LVPCHVKNSWNIGZ-UHFFFAOYSA-N 431.792 4.116 5 20 IIBD O=C(COC(=O)c1csc(Cc2ccc(F)cc2)n1)Nc1ccc(Cl)c([N+](=O)[O-])c1 727019100 DCXRJBHHTTYKLQ-UHFFFAOYSA-N 449.847 4.230 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 727710810 ILMASHOUZJQFOX-UHFFFAOYSA-N 434.839 4.259 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)C23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)c([N+](=O)[O-])c1 729402465 QALXSWUUODMZHE-JESXBGFQSA-N 430.501 4.470 5 20 IIBD Cc1c(C(=O)NCC2(c3cccc(Br)c3)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 734344265 WWWFVWWCYVCISU-UHFFFAOYSA-N 434.246 4.036 5 20 IIBD CCN1CCCC[C@H]1C(=O)O[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 741147408 IRQMBGAEXUSZIK-FPOVZHCZSA-N 425.485 4.001 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Br)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 741958601 UJOQFPZMKPUJGP-INIZCTEOSA-N 438.259 4.153 5 20 IIBD CSc1ccc(-c2nsc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)cc1 743781041 OYDDGEAFZCJJCA-UHFFFAOYSA-N 431.455 4.304 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C 744395303 QTJCEMGXOXQQDP-VQTJNVASSA-N 446.548 4.096 5 20 IIBD CC(C)CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cc1 745982252 ILFLQMCWNYOYDP-HNNXBMFYSA-N 429.448 4.150 5 20 IIBD COc1ccc(N2C(=O)C3(CCCC3)N[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC 747439638 FVDWVNPZDFEILA-IBGZPJMESA-N 431.876 4.213 5 20 IIBD Cc1ccsc1[C@@H]1C[C@@H]1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 748452777 WZKOEONFJKTOCP-NEPJUHHUSA-N 428.388 4.269 5 20 IIBD CCO[C@@H]1C[C@@H](OC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C1(CC)CC 749095533 VFQQWKKYSFEOBD-IAGOWNOFSA-N 434.518 4.015 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCCCC[C@H]1C[C@@H](O)c1cccs1 750837707 NQJDNRIXFKXNKG-QFBILLFUSA-N 445.541 4.323 5 20 IIBD COc1cccc(O[C@@H](C)CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)c1 750889484 BRNGTQXVLLUDRL-JTQLQIEISA-N 443.681 4.217 5 20 IIBD O=C1[C@H](Nc2ccc(OC(F)F)cc2OC(F)F)CCN1c1cccc([N+](=O)[O-])c1 751271692 QDVLHOGVTUXBHS-CQSZACIVSA-N 429.326 4.015 5 20 IIBD O=C1N(CN2CCC[C@H](c3nc4c(s3)CCCC4)C2)CCN1c1ccccc1[N+](=O)[O-] 752795082 AFTSRBUNVUSFHL-INIZCTEOSA-N 441.557 4.009 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCO[C@@H](c2ccc(Cl)cc2)C1 754638393 YZBNMDHZZXVCJM-OAHLLOKOSA-N 443.656 4.364 5 20 IIBD Cc1cc(Br)ncc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 755018155 IVPPWIWVNVTNEN-UHFFFAOYSA-N 433.031 4.215 5 20 IIBD C[C@@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(N2CCOC2=O)cc1 755035956 QROXOTHHVOJSOB-LLVKDONJSA-N 449.261 4.197 5 20 IIBD Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)c12 755370849 QYUWZWDMGHLPTE-UHFFFAOYSA-N 430.262 4.077 5 20 IIBD Cc1cc(C(=O)COC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c(C)n1C1CC1 756530993 ZKABAJACZJDLGP-UHFFFAOYSA-N 435.274 4.079 5 20 IIBD Cc1cc(F)cc(C(=O)N2CCC([C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)c1[N+](=O)[O-] 758463181 APAWLGHHZRKQRI-SFHVURJKSA-N 435.496 4.294 5 20 IIBD O=Cc1ccc(OCC(=O)N[C@@H](c2cccc(F)c2)c2cccc(Cl)c2)c([N+](=O)[O-])c1 758738320 PGWGVBZKUACARK-JOCHJYFZSA-N 442.830 4.484 5 20 IIBD COc1ccccc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccco1 758750534 WHSXJYPBVKWXCN-SFHVURJKSA-N 431.242 4.478 5 20 IIBD Cc1c(NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cnc(Cl)c1Br 760114127 NJJBJUURLPEDKG-UHFFFAOYSA-N 437.637 4.220 5 20 IIBD Cc1cc(C(=O)NC2CCCCC2)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1F 760343076 ASTQZJFNTAYMAB-UHFFFAOYSA-N 449.504 4.214 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC(=O)Nc1ccc(C)cc1Br 765524120 IVVPPKDUZGPDOY-OAHLLOKOSA-N 449.301 4.416 5 20 IIBD CCOc1cc(NC(=O)N[C@H](C)C[C@@H](O)c2ccc(F)cc2)c([N+](=O)[O-])cc1OCC 765871957 TWINAZMVTISCKF-FZKQIMNGSA-N 435.452 4.165 5 20 IIBD CC(=O)N1CC[C@H](COC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C1 767993945 QCXVWQRVIILGOF-AWEZNQCLSA-N 434.901 4.425 5 20 IIBD O=C(OCc1cc(=O)n2ccsc2n1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 768092787 DVCJJPXJTOLXKB-UHFFFAOYSA-N 439.474 4.172 5 20 IIBD Cc1nnc(S)n1CCNC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 768177795 RDQJHOAWOFIUBH-UHFFFAOYSA-N 449.945 4.018 5 20 IIBD CN(c1ccccc1)c1ccc(CN2CCC[C@H]([C@H](O)c3nccn3C)C2)cc1[N+](=O)[O-] 770333429 XPGYQQGWHLGMED-CVDCTZTESA-N 435.528 4.042 5 20 IIBD O=C(Nc1ccc(F)cc1OC1CCCC1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 770691351 MQTDPPRSNVNQCP-CYBMUJFWSA-N 445.422 4.186 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncccc2-c2ccccc2)cc1Br 770732977 HUJFGYBMHJWYRK-UHFFFAOYSA-N 434.271 4.220 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(-c3ccc(CNc4ccc5nc(O)[nH]c5c4)cc3)no2)cc1O 770873850 DAQQNBDURLDMRN-UHFFFAOYSA-N 444.407 4.211 5 20 IIBD C[C@@H](Cc1noc(CCOc2ccc(Cl)cc2[N+](=O)[O-])n1)N(C)C(=O)OC(C)(C)C 771122883 LRPOETNIIAQRBM-LBPRGKRZSA-N 440.884 4.051 5 20 IIBD C[C@H](OC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 772111436 IXYFVWQWDTWERE-AWEZNQCLSA-N 443.456 4.055 5 20 IIBD CC(=O)[C@@H]1C[C@H](CC(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1(C)C 772659514 YQVJVSUBXJWASL-SCRDCRAPSA-N 444.406 4.125 5 20 IIBD CCOc1ccc(-c2nc(COC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)co2)cc1 773133038 XQPZOUWAFQUDNK-UHFFFAOYSA-N 434.408 4.191 5 20 IIBD CC(C)(C)OCc1ccccc1C(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 773773929 YHSLKHNPFUGHOG-UHFFFAOYSA-N 427.501 4.378 5 20 IIBD Cc1c(C(=O)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 775304721 AQWHAJCSPHIBOP-UHFFFAOYSA-N 438.440 4.061 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)c1ccc(N)cc1I 778820699 XSHNNLQJFTXOLN-JTQLQIEISA-N 426.210 4.008 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2CCCc3cn(C(C)C)nc32)CC1 780422498 NXFDJEBAGKKOBR-HXUWFJFHSA-N 425.533 4.416 5 20 IIBD CN(Cc1ccccc1)c1ccc(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 783475505 LZPUBTAENSIWGW-UHFFFAOYSA-N 438.871 4.462 5 20 IIBD CC[C@H](C)[C@H](C)N(C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br)C1CC1 784560593 MZRRSCSWHONFKV-JQWIXIFHSA-N 426.311 4.030 5 20 IIBD COc1ccc(-c2noc([C@H](C)OC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)n2)cc1 784723026 FHEJGEVLDLCPGS-LBPRGKRZSA-N 429.404 4.375 5 20 IIBD O=C(OCc1ccc(Br)c2cccnc12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 785183717 FIYPJPBRUSDLHG-UHFFFAOYSA-N 432.186 4.171 5 20 IIBD C[C@H](OC(=O)c1ccc(Cl)c(N)c1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 786633394 AWAPJJVWWDJAML-ZETCQYMHSA-N 432.647 4.321 5 20 IIBD CC(C)Oc1cc(F)ccc1OS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 790940375 MIMQTMHTSDIZCY-UHFFFAOYSA-N 434.239 4.051 5 20 IIBD Cc1c(CNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cccc1[N+](=O)[O-] 791022697 UUELIBYCTLDCPK-UHFFFAOYSA-N 429.376 4.239 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc3c(c2)N(CC(F)F)CCS3)cc1[N+](=O)[O-] 791388971 JPIWMXRYKZIARL-UHFFFAOYSA-N 438.412 4.241 5 20 IIBD COc1ccc2c(c1)CN(Cn1c(=O)oc3cccc([N+](=O)[O-])c31)[C@H](c1ccccc1)C2 794631537 CJUALFBFSUPQLJ-NRFANRHFSA-N 431.448 4.268 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@]1(Cc2ccc(Cl)cc2)CCOC1 800345008 ZRAYNDVMMLMDPA-IBGZPJMESA-N 427.259 4.101 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 801895208 GPKUSFTVFXNZHP-QLJPJBMISA-N 444.337 4.203 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCC([C@H](F)c2ccccc2F)CC1 807299094 KKFBBINMFNJYSO-SFHVURJKSA-N 437.830 4.275 5 20 IIBD CCN(CC)CCOC(=O)c1cccc(C)c1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 808828271 JGSGCBYIZXOXMG-UHFFFAOYSA-N 433.892 4.308 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Br)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 808914444 JUOZRPVBCSOKGC-ZIFCJYIRSA-N 431.286 4.002 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1 810316676 DBXFMIMYAQYGDS-UHFFFAOYSA-N 440.500 4.328 5 20 IIBD O=C(N[C@@H](c1ccccc1)[C@H](O)c1ccccc1)c1cc(O)nc2ccc([N+](=O)[O-])cc12 811546911 DALMXXOZRSTUMN-XZOQPEGZSA-N 429.432 4.053 5 20 IIBD COCCn1c(-c2cn(C)c3ccccc23)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 812082198 GGAMSTSBGBNLFY-UHFFFAOYSA-N 446.511 4.160 5 20 IIBD COc1ccccc1[C@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1noc(C)n1 812997088 ZRXSTMNILPDTNE-HNNXBMFYSA-N 437.239 4.121 5 20 IIBD CCN(CC1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1)C(=O)OC(C)(C)C 814118766 OTPVGNAFBUKNSU-UHFFFAOYSA-N 433.549 4.368 5 20 IIBD COc1ccc(C(=O)N2CCC[C@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1[N+](=O)[O-] 814431593 MXCNHPRVFQVPIP-ROUUACIJSA-N 447.532 4.103 5 20 IIBD CO[C@@H]1CCC[C@@H](C(=O)O[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 814559143 VTVTVPHGIVFOCS-DBXWQHBBSA-N 426.469 4.331 5 20 IIBD C[C@@H](Cc1cnc2ccccc2n1)C(=O)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 816005493 ONCHOJRQOUXFRN-HJPURHCSSA-N 428.448 4.444 5 20 IIBD O=C(Nc1nc2ccc(Br)cc2s1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 915131372 IIJLKJWBXIZIKF-UHFFFAOYSA-N 444.270 4.405 5 20 IIBD O=C(Nc1ccc(OC(=O)c2n[nH]c3c2CCCC3)cc1)c1cc([N+](=O)[O-])ccc1Cl 915189668 RYBJJNJHCJPRAX-UHFFFAOYSA-N 440.843 4.322 5 20 IIBD COc1cc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)ccc1OC(C)C 916699249 GGJOZHMYICFHTG-UHFFFAOYSA-N 425.388 4.314 5 20 IIBD COc1cc(COC(=O)c2cnc(OC(C)C)c(Cl)c2)c([N+](=O)[O-])cc1OC(F)F 917975165 JPVVYXNKFQFLLJ-UHFFFAOYSA-N 446.790 4.397 5 20 IIBD O=C(OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cc2c(Cl)c(Cl)ccc2[nH]1 919203614 CRZVVEBNSLJYHS-UHFFFAOYSA-N 434.235 4.129 5 20 IIBD CCOC(=O)/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1)c1nccn1C 920070374 QBMOXWPAIJYMEB-UYRXBGFRSA-N 437.452 4.020 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CNCCS(=O)(=O)Cc2ccccc2)o1 1327212216 DEGFZOKYVFTNIH-UHFFFAOYSA-N 434.901 4.213 5 20 IIBD Cc1cc(-c2nnc(CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)o2)c2ccccc2n1 1341365842 FURGBHZIRRCAAJ-UHFFFAOYSA-N 431.408 4.042 5 20 IIBD Cc1cncc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4F)cc3)CCC2)c1 1790621868 CLMVKZCBNDANEM-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc3ccoc3c2)[nH]n1)c1ccc([N+](=O)[O-])[nH]1 1820367404 OZYJWTGASWMIKW-QGZVFWFLSA-N 448.439 4.012 5 20 IIBD CC(C)=CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(O)c([N+](=O)[O-])c2)[nH]n1 1820803457 AROJCMAJIWCBMH-KRWDZBQOSA-N 441.488 4.076 5 20 IIBD C/C=C/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(F)ccc([N+](=O)[O-])c2C)n[nH]1 1821285919 LQSOIZZTWDOHFL-VGTMYVJWSA-N 441.463 4.204 5 20 IIBD C/C=C(/C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3C)sc2C1 1823706384 NRWXCLGFINPKLF-JTMRULEUSA-N 448.932 4.205 5 20 IIBD O=C([C@@H]1CC=CCC1)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 1824275492 BHNMVIPYBJKZDB-HKUNNYQMSA-N 441.528 4.177 5 20 IIBD O=C(Cc1cc(F)ccc1[N+](=O)[O-])N1CCC([C@@H]2CCCCN2C(=O)C2=CCCC2)CC1 1826279033 ALYGZOZSIJWLTI-NRFANRHFSA-N 443.519 4.006 5 20 IIBD COc1ccc(Cl)cc1C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 9459256 ACKKGCQFNMLWAX-UHFFFAOYSA-N 432.738 4.071 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@H]1CCSc2ccc(Cl)cc21 12620517 UAKUWOXZKQJEFN-HNNXBMFYSA-N 447.900 4.290 5 20 IIBD COc1c([N+](=O)[O-])cc(NCc2ccc(OC(F)F)cc2)c([N+](=O)[O-])c1Br 14261808 MCORYWLGYNPZSD-UHFFFAOYSA-N 448.176 4.488 5 20 IIBD Cc1c(NC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@H]3C)cc2)cccc1[N+](=O)[O-] 15790835 HCPHYGOKGURGFF-IYBDPMFKSA-N 425.485 4.324 5 20 IIBD CC1CCN(c2ccc(C(=O)N[C@H](c3ccccc3)c3nccn3C)cc2[N+](=O)[O-])CC1 16470849 BPCOONNZJGIUKM-JOCHJYFZSA-N 433.512 4.084 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1 16748763 DREDHUUBNPSPPL-INIZCTEOSA-N 449.463 4.400 5 20 IIBD C[C@H](OC(=O)[C@H]1COc2ccc(Cl)cc2C1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 16796789 BKTVQQPADWGYAY-CMPLNLGQSA-N 439.251 4.023 5 20 IIBD CCOC(=O)c1c(-c2ccco2)csc1NC(=O)COc1ccc(OC)cc1[N+](=O)[O-] 22624146 PLANXGAEFJQRRC-UHFFFAOYSA-N 446.437 4.119 5 20 IIBD CCOc1ccccc1-c1nnc(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)o1 23267681 CDNAZWPUPYXSCP-UHFFFAOYSA-N 425.426 4.386 5 20 IIBD COc1cccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c1 28606602 VQWHVZVXPAVYNS-UHFFFAOYSA-N 435.436 4.011 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(F)c1 28774990 WBWLHEJCNLQSDD-MRXNPFEDSA-N 432.451 4.173 5 20 IIBD Cc1cccc(N2CCN(Cc3ccc(NC(=O)c4ccccc4[N+](=O)[O-])cc3)CC2)c1 29416520 DVCHSYVREQWBKL-UHFFFAOYSA-N 430.508 4.478 5 20 IIBD CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1Cl 32628001 UGGVBKQYKSSESG-UHFFFAOYSA-N 439.921 4.148 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(c3ccc(O)cc3)CC2)c([N+](=O)[O-])c1 32799716 YGSZLSAHBNLIKC-DEOSSOPVSA-N 446.507 4.111 5 20 IIBD Cc1cc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)n(-c2ccc([N+](=O)[O-])cc2)n1 57722129 JWYZCIYRFBSUAM-UHFFFAOYSA-N 427.269 4.197 5 20 IIBD CN(Cc1csc2ccccc12)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 58281122 LWPDZQXFJHXYSJ-UHFFFAOYSA-N 439.522 4.361 5 20 IIBD O=C(CCc1nnc(-c2ccsc2)o1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 59253229 UHBFKYPMLNOSKQ-UHFFFAOYSA-N 440.403 4.230 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 59741882 BXJLBCDFYFIWPO-MRXNPFEDSA-N 426.231 4.284 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)Nc1ccccc1F 60487632 DDFDEBQEASOEOC-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD O=C(c1ccc(OCc2ccccc2)cc1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 61233728 APTDYDFQMIKTTM-UHFFFAOYSA-N 431.492 4.132 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCc2cc(Br)cc(F)c21 78404569 FJQLRGFEUKVVDN-UHFFFAOYSA-N 445.248 4.275 5 20 IIBD CN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 106043123 FZHAWPHDDSVPQV-UHFFFAOYSA-N 436.255 4.022 5 20 IIBD Cc1c(C(=O)Nc2ccc(CN3CCCC[C@H]3C)cc2)nnn1-c1cccc([N+](=O)[O-])c1 108289634 SCBCQHHSLJADNB-MRXNPFEDSA-N 434.500 4.111 5 20 IIBD CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 116243232 VAAXTOXYERXEKH-IEBWSBKVSA-N 438.528 4.495 5 20 IIBD COc1cc(CNCc2cccc(NC(C)=O)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 237115154 GRPKXGVHGXVNFS-UHFFFAOYSA-N 435.480 4.431 5 20 IIBD Cn1c(Sc2nc3sccn3c2[N+](=O)[O-])nc2sc(-c3ccccc3)cc2c1=O 301064202 IAZQFOMATLELPQ-UHFFFAOYSA-N 441.519 4.431 5 20 IIBD C[C@H]1CCC[C@H](C)N(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 303919632 NZEGLEJWHFEITL-HOTGVXAUSA-N 431.514 4.046 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC(N2CCc3ccccc32)CC1 410294738 PRKOYTFSKRPIQX-UHFFFAOYSA-N 430.302 4.025 5 20 IIBD O=C(c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)N1CCC[C@@H]1CCO 428586092 UIJSJBYEQYVPNZ-CQSZACIVSA-N 429.523 4.343 5 20 IIBD O=C(Nc1cccc(CN2CCSCC2)c1)c1ccc(Br)cc1[N+](=O)[O-] 429831736 LXQCZNVGXITNPW-UHFFFAOYSA-N 436.331 4.158 5 20 IIBD CCOc1ccc([C@H]2CCCN2C(=O)COc2c(Br)cccc2[N+](=O)[O-])cc1 431222307 GJROYZVDGHXNDZ-QGZVFWFLSA-N 449.301 4.499 5 20 IIBD Cc1noc(-c2ccc(C(F)(F)F)cc2NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 432469185 NMVDHODQRAHYQY-UHFFFAOYSA-N 442.375 4.081 5 20 IIBD C[C@@H]1CN(CCCNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CCCO1 433494900 YHLNHYCPCUDMBQ-QGZVFWFLSA-N 428.489 4.010 5 20 IIBD Cc1ncsc1CN(C)C[C@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 434509741 JPUFHOBLFGXEOG-QGZVFWFLSA-N 441.557 4.011 5 20 IIBD O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCN(CC2CCCCC2)CC1 436316068 VLJXTUKLKROYKJ-UHFFFAOYSA-N 439.506 4.298 5 20 IIBD CC(C)Oc1ccc(NC(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1Cl 437041503 WTPVUAHSCFGPPL-UHFFFAOYSA-N 431.876 4.165 5 20 IIBD COc1cc(CCNC(=O)Nc2cccc(Oc3ccccn3)c2)c([N+](=O)[O-])cc1OC 438658453 VNURTNIADMBPLS-UHFFFAOYSA-N 438.440 4.164 5 20 IIBD O=C(NC[C@H]1CCCN1Cc1ccccc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444029887 JKOSNYMDXRYXQD-LJQANCHMSA-N 447.485 4.354 5 20 IIBD COc1cc(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c2ccccc2n1 444095417 GRRVUNIPJCFHBP-UHFFFAOYSA-N 445.425 4.446 5 20 IIBD Cc1c(-c2noc(-c3nn(-c4ccccc4[N+](=O)[O-])c(C)cc3=O)n2)oc2ccccc12 445505179 OKNOZXOKPUGZCT-UHFFFAOYSA-N 429.392 4.221 5 20 IIBD Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(-c3nc(-c4c([N+](=O)[O-])nc(C)n4C)no3)c12 445618400 MANTUHQEJNDTKY-UHFFFAOYSA-N 438.492 4.285 5 20 IIBD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 447676495 CHNORYSLPCZPPX-SKDRFNHKSA-N 449.336 4.237 5 20 IIBD Cc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2cccc(S(C)(=O)=O)c2)c(C)c1 460562326 HPZLSBFZBIWTHU-QFIPXVFZSA-N 438.505 4.135 5 20 IIBD COc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(Cl)c3ccccc23)cc1[N+](=O)[O-] 462949776 WMGWZCKQICTQHH-LBPRGKRZSA-N 427.844 4.226 5 20 IIBD COc1cc(CN2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c([N+](=O)[O-])cc1F 464675553 BBZRFWINZTXAKV-CQSZACIVSA-N 430.411 4.311 5 20 IIBD CCOC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Br)cc1[N+](=O)[O-] 469223029 LPRNEYKMWDNLGM-UHFFFAOYSA-N 433.258 4.127 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)NCc2nc(-c3cc4ccccc4o3)cs2)cc1 476223557 QNJNVZSAEGZOEY-UHFFFAOYSA-N 429.479 4.084 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 477055998 GJNPPIBYQRDCMY-OAQYLSRUSA-N 440.477 4.066 5 20 IIBD Cc1ccc(-c2cccnc2)cc1NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O 477532000 ZKTXOTCDHSGQMP-UHFFFAOYSA-N 441.447 4.072 5 20 IIBD O=C(N[C@@H](CO)c1ccccc1OC(F)(F)F)c1ccc2[nH]c3ccccc3c(=O)c2c1 478153142 KCGAGBJCXYHHEG-IBGZPJMESA-N 442.393 4.043 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 481892212 LDJLOMSMQOUMJB-KNQAVFIVSA-N 425.554 4.200 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1 482479046 PFAPWMJFWULPHA-UHFFFAOYSA-N 431.855 4.339 5 20 IIBD CCOC(=O)c1csc([C@H]2CCCN2C(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)n1 482946506 LFTDKPMJKXACHS-CRAIPNDOSA-N 431.514 4.160 5 20 IIBD CSCCN(C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 483316797 AGRILTYUULJXOG-QGZVFWFLSA-N 438.347 4.332 5 20 IIBD Cc1nc2cc(Cl)c(NC(=O)C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)cc2s1 483895599 MVYIGBWKXGLCKM-UHFFFAOYSA-N 446.916 4.244 5 20 IIBD Cc1ccc(-c2ccc(C)c(NC(=O)C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)c2)o1 484248769 RUEFEPZVTFXSDE-UHFFFAOYSA-N 427.844 4.380 5 20 IIBD CCCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCc2ccccc21 484858208 OTCDYGWARDQEAB-KRWDZBQOSA-N 433.411 4.061 5 20 IIBD Cc1cc(C(=O)NC2CCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)CC2)c(C)o1 485394241 UJKCKCOYBXFFIE-UHFFFAOYSA-N 438.459 4.405 5 20 IIBD COC(=O)c1cc(NC(=O)c2cnc(-c3ccc(OC)cc3)s2)c(C)c([N+](=O)[O-])c1 485948649 CWHCYCBWNYXLDP-UHFFFAOYSA-N 427.438 4.074 5 20 IIBD O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 487644641 JQAUUCFTISITMT-UHFFFAOYSA-N 429.816 4.138 5 20 IIBD O=C(NCc1ccnc(Oc2ccccc2F)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 487652007 MBERTPDKZBTYHI-UHFFFAOYSA-N 433.399 4.037 5 20 IIBD O=C(Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)Nc1c(Cl)cccc1C(F)(F)F 487914132 HYNPDFWNICNCPO-UHFFFAOYSA-N 425.750 4.221 5 20 IIBD CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 489457863 CLTHVYKVDQLOCC-HNNXBMFYSA-N 441.513 4.213 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)N[C@H]2CCN(c3ccccc3OC(F)F)C2)cc1[N+](=O)[O-] 489555716 RZFPILRNSABWPV-ZBFHGGJFSA-N 434.443 4.144 5 20 IIBD COc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 490586114 NZWHLMRHUNGXKS-UHFFFAOYSA-N 448.479 4.170 5 20 IIBD COc1cc([C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C(F)(F)F)cc(OC)c1OC 491649730 PRXLZOKDMFAFGF-INIZCTEOSA-N 448.781 4.307 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCN(Cc2cccc3ccccc23)CC1 492397550 SHWKHZVGBCFVEF-UHFFFAOYSA-N 444.535 4.306 5 20 IIBD O=C(Nc1ccc(OCCO)cc1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 494396651 MWNOAYAIHSTCKA-UHFFFAOYSA-N 441.871 4.484 5 20 IIBD O=C(N[C@@H](CC1CCC1)c1ccccc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 498344665 KEDVCWNGKGJUGW-SFHVURJKSA-N 442.541 4.055 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 499488988 SUSSPQHGORGVFF-UHFFFAOYSA-N 432.358 4.238 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCc2c(Br)cccc2C1 503893342 NABNBDQIBHFOJE-UHFFFAOYSA-N 444.329 4.159 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)Nc2ccc(C(N)=O)c(C)c2)cc1[N+](=O)[O-] 504853730 ROMYOWDCKDACHS-UHFFFAOYSA-N 449.488 4.207 5 20 IIBD CC(C)(CCCc1ccccc1)CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 505294320 SZFIIJFQGCNYMG-GOSISDBHSA-N 443.569 4.426 5 20 IIBD CCCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1cccc(N2CCCC2)c1 505476745 NVYUWXKYABQTGB-NRFANRHFSA-N 442.491 4.261 5 20 IIBD C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 506355877 LNRIPOQTFQVJSY-CQSZACIVSA-N 431.539 4.315 5 20 IIBD C[C@H](CCc1ccc(Br)cc1)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 507800630 CWTGWVDYPKULCX-CQSZACIVSA-N 443.301 4.294 5 20 IIBD CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)c1ccc(OC)cc1 508768195 FXJZVLDTQPDWEQ-MRXNPFEDSA-N 440.237 4.089 5 20 IIBD Cc1cc(Sc2ncccn2)ccc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 509559577 QQSIDQJPBKRQIE-UHFFFAOYSA-N 436.902 4.299 5 20 IIBD C[C@H](NC(=O)Nc1cc(Br)ccc1N1CCOCC1)c1cccc([N+](=O)[O-])c1 511031842 OCENFOFYFKTPGU-ZDUSSCGKSA-N 449.305 4.077 5 20 IIBD O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N(CC(F)(F)F)C1CC1 512849103 BBZQKKXBCIZBEX-UHFFFAOYSA-N 439.356 4.383 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CN[C@]3(Cc4ccc(C(F)(F)F)cc4)CCOC3)o2)cc1 513178161 LSNPLDXHNWJMSG-FQEVSTJZSA-N 448.401 4.155 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2ncc[nH]2)c1 513424217 VEDKFLHYCBKPEC-UHFFFAOYSA-N 448.220 4.150 5 20 IIBD COCCO[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 513773041 GZZJVIKXMADSBT-SFHVURJKSA-N 434.876 4.308 5 20 IIBD COc1ccc(CNC(=O)N2CCC(C(=O)c3ccc(C)cc3C)CC2)cc1[N+](=O)[O-] 515454681 ZQCXLPCTXPOPRZ-UHFFFAOYSA-N 425.485 4.025 5 20 IIBD Cc1ccc(C(=O)C2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)c(C)c1 515715023 IRCMUJICOCJKEM-UHFFFAOYSA-N 436.917 4.149 5 20 IIBD O=C(c1cnn(-c2ncccc2Cl)c1C(F)(F)F)N1CCc2c1cccc2[N+](=O)[O-] 523164844 DMDQTZGPMHILSO-UHFFFAOYSA-N 437.765 4.051 5 20 IIBD CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)NCc1cccc([N+](=O)[O-])c1 523435119 LAAMKXZBZHRTCR-UHFFFAOYSA-N 429.864 4.019 5 20 IIBD COc1cc(C(=O)Nc2cc(C(=O)N3CCCCC3)ccc2Cl)cc([N+](=O)[O-])c1OC 525031535 MWZYHIVQJAUYGC-UHFFFAOYSA-N 447.875 4.144 5 20 IIBD COCCOCc1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1F 525630580 ACUDKSQUMDOAPL-UHFFFAOYSA-N 431.445 4.273 5 20 IIBD COc1ccc(CSCC(=O)NCCc2csc(-c3ccccc3)n2)cc1[N+](=O)[O-] 531243309 ZZRYGRDBTVRHNE-UHFFFAOYSA-N 443.550 4.319 5 20 IIBD O=[N+]([O-])c1ncccc1S(=O)(=O)N1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 532297479 GSXYLOIDFGTGLY-SFHVURJKSA-N 429.885 4.132 5 20 IIBD O=[N+]([O-])c1cc2c(c(CN(Cc3csc(Br)c3)C3CC3)c1)OCOC2 532780711 IDGZHHIPEMYRMV-UHFFFAOYSA-N 425.304 4.450 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(C[S@@](=O)Cc3ncc(-c4ccc(F)cc4)o3)co2)cc1 534061546 RIPCMLFEGHSWRD-SSEXGKCCSA-N 427.413 4.493 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C 534949761 CZSOSDVYSUCEFS-GDBMZVCRSA-N 446.500 4.407 5 20 IIBD CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 536195516 XGPZOGHHNVQJAX-UHFFFAOYSA-N 431.496 4.110 5 20 IIBD COC(=O)C1(N(C)C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CCCCC1 536291671 WMKNCZJHZSUAGL-MRXNPFEDSA-N 440.500 4.111 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)c1 537311737 PCISLGJOFGLYKI-OAHLLOKOSA-N 426.448 4.183 5 20 IIBD COCCOc1c(Cl)cc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)cc1Cl 538056124 KTRSRYIRWBXKCV-UHFFFAOYSA-N 425.228 4.055 5 20 IIBD Cc1ccc(Br)c2c1N(C(=O)c1cc([N+](=O)[O-])cc3c1OCCO3)CCC2 538560110 BXHKLLJKVKZXGM-UHFFFAOYSA-N 433.258 4.030 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)n2nc(-c3cccs3)oc2=O)c([N+](=O)[O-])c1 539630174 OYVUNIHZMLHRBS-GOSISDBHSA-N 436.449 4.010 5 20 IIBD C[C@H](N[C@H](C)c1nc(C(C)(C)C)no1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 541680731 JASISZWUGPDEHT-NWDGAFQWSA-N 444.517 4.077 5 20 IIBD C[C@H](C(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1F 542549984 BEWRGERXQANCBH-HNNXBMFYSA-N 442.468 4.450 5 20 IIBD Cn1cnnc1Sc1ccc(-c2nc(-c3cnc4ccccc4c3)no2)cc1[N+](=O)[O-] 545699036 PJZAGNJZHDXNAO-UHFFFAOYSA-N 431.437 4.140 5 20 IIBD COc1ccc(C)cc1Cc1noc(-c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)n1 546248153 WZOPDSLNKPFVQL-UHFFFAOYSA-N 433.468 4.414 5 20 IIBD COc1cc(OC)cc(C2(F)CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC)CC2)c1 549198097 DTCUVZXOGYVJMT-UHFFFAOYSA-N 433.436 4.113 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H](C)c1nc(-c2ccccc2)no1 550698791 DGDLHCGDEWRQQG-NSHDSACASA-N 445.273 4.249 5 20 IIBD CC(C)(C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl)c1ccccc1[N+](=O)[O-] 551429340 LJVKTIDEKFILOQ-UHFFFAOYSA-N 431.798 4.135 5 20 IIBD Cn1ccnc1[C@H](NCc1cccc(COCC(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 552063073 ODGJNBQCWNEPGA-LJQANCHMSA-N 434.418 4.286 5 20 IIBD COc1ccc(-c2nc(C)c([C@H](C)Nc3nc(O)c4cc([N+](=O)[O-])ccc4n3)s2)cc1 553441339 TWCLMRKMAZQOHI-LBPRGKRZSA-N 437.481 4.857 5 20 IIBD O=C(NC[C@@H](NCc1ccccc1)c1ccco1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 557459375 KEEUTFMUZSNEGJ-GOSISDBHSA-N 433.386 4.468 5 20 IIBD Cc1ccc(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1OCC1CCOCC1 562198127 MNTUSKNFLJAXQB-UHFFFAOYSA-N 427.501 4.415 5 20 IIBD C[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 562400536 KISLOYVBVCTLBT-MBSDFSHPSA-N 431.492 4.089 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CNC3(c4cccc(C(F)(F)F)c4)CCOCC3)o2)cc1 569553499 UIBYAJPZYJKOBP-UHFFFAOYSA-N 448.401 4.459 5 20 IIBD COc1cc(-c2nc(-c3cc(Cl)ccc3O[C@H]3CCOC3)no2)cc([N+](=O)[O-])c1C 571086188 JYDCLIVYCLLANN-AWEZNQCLSA-N 431.832 4.450 5 20 IIBD C[C@H](NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccc(Br)s1 582274208 IQTXKYUERNLTQB-JTQLQIEISA-N 426.292 4.084 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)cc1OC 590666495 MCVHDIQJFYMHCU-FQEVSTJZSA-N 436.892 4.409 5 20 IIBD O=C(NC1CC1)c1ccc(CN(Cc2ccco2)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 603501251 HXVITGNSNNSTQF-UHFFFAOYSA-N 434.452 4.314 5 20 IIBD Cc1ccc(Cc2cnc(NC(=O)c3nnn(-c4cccc([N+](=O)[O-])c4)c3C)s2)cc1C 603762481 NWUJPUYSPXZTDU-UHFFFAOYSA-N 448.508 4.400 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 608975280 FBQGHGUNQJNQMQ-UHFFFAOYSA-N 437.521 4.193 5 20 IIBD COc1ccc(CC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] 609010490 FDQIDZKLNJOJLG-GHMZBOCLSA-N 428.329 4.172 5 20 IIBD CCCN(C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCCN(Cc2ccccc2)C1 609011601 FHNCKMMQDGCLFX-NRFANRHFSA-N 425.529 4.049 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N(C1CC1)[C@H]1CCc2ccccc21 609030572 XTAVBWVNVAHSDH-INIZCTEOSA-N 437.315 4.198 5 20 IIBD COc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 609044924 VHYAQLZTXCXUHI-UHFFFAOYSA-N 437.418 4.408 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F 609099211 LBIZTQXCXXHHAT-UHFFFAOYSA-N 443.403 4.071 5 20 IIBD C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccc([N+](=O)[O-])cc1I 609647433 OPTVWBGRWIZPGU-JSGCOSHPSA-N 436.249 4.218 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(CN(C(C)=O)C(C)C)cc2)cc1[N+](=O)[O-] 609725949 OHLMUXDXEJGYFB-UHFFFAOYSA-N 445.541 4.232 5 20 IIBD Cc1ccc(Cl)cc1NC(=O)CSCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 609770977 WWNOIJDETLLYKM-UHFFFAOYSA-N 435.889 4.227 5 20 IIBD O=C(COc1ccc(F)cc1Br)NCCCCc1ccc([N+](=O)[O-])cc1 610046756 FPCOBJKNECRXBA-UHFFFAOYSA-N 425.254 4.014 5 20 IIBD O=C(CSc1nncn1-c1cccc(Cl)c1)NCCCCc1ccc([N+](=O)[O-])cc1 610070606 OJUVWXUDMQYKGX-UHFFFAOYSA-N 445.932 4.060 5 20 IIBD Cc1ccc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cc1NC(=O)NC(C)(C)C 610139658 XKGRQUHHCVZTSH-UHFFFAOYSA-N 436.472 4.466 5 20 IIBD CN(C)C(=O)Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c1 610183904 QXZMXSFRQFRZEE-UHFFFAOYSA-N 434.452 4.411 5 20 IIBD O=C(CC1CCCCC1)NCCNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611202855 YIWUTHHDZMLOHR-UHFFFAOYSA-N 433.574 4.446 5 20 IIBD COC[C@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1cccc(C(F)(F)F)c1 611396602 BHUHXDRTTJLPFK-SFHVURJKSA-N 425.407 4.228 5 20 IIBD CCOC(=O)CC[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)C)C1 619848326 JNKXRNFJFYOJFC-QGZVFWFLSA-N 429.521 4.069 5 20 IIBD CC(C)(C)OC(=O)N1CCC(N(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C2CC2)CC1 725718476 JVSFQKXHFVDSKY-UHFFFAOYSA-N 428.489 4.080 5 20 IIBD Cc1ccc(C)c2sc(NS(=O)(=O)c3cc(Br)ccc3[N+](=O)[O-])nc12 727246486 JUWPHJAVZIRXAO-UHFFFAOYSA-N 442.316 4.385 5 20 IIBD CNC(=O)c1ccc(N[C@H](Cc2ccc(OC)c(OC)c2)c2ccccc2)c([N+](=O)[O-])c1 727433295 NZHBAJQYITVMOI-HXUWFJFHSA-N 435.480 4.368 5 20 IIBD Cc1ccsc1-c1nnc(NC(=O)COC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)o1 727505573 KHKGPLXGSXAMDW-UHFFFAOYSA-N 444.450 4.025 5 20 IIBD CS(=O)(=O)c1cc(C(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl 728167306 SCKNZSZPKOPIST-UHFFFAOYSA-N 443.308 4.362 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1occc1CN1c2ccccc2C[C@@H]1C 728687670 KRRNATSSZCKANX-INIZCTEOSA-N 449.463 4.243 5 20 IIBD Cc1ccc(C(=O)N2CCC[C@@H](C(=O)OCc3cc([N+](=O)[O-])ccc3OC(C)C)C2)cc1 729117724 KTBDEJNTICWYAK-LJQANCHMSA-N 440.496 4.286 5 20 IIBD Cn1cccc1C(=O)N1CCCC[C@H]1CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 729197503 WLRQRLGFSHUQIT-INIZCTEOSA-N 441.509 4.390 5 20 IIBD CC(C)COc1ccccc1C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 731414431 RSOOWMJXHLNIRR-QGZVFWFLSA-N 426.469 4.091 5 20 IIBD CC(C)n1c(S)nnc1C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 731637679 ZEILZTZAONYSGG-UHFFFAOYSA-N 431.543 4.290 5 20 IIBD C[C@H](Oc1ccc(F)cc1Cl)C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 733562903 GEEDJOVCADDUDG-ZJUUUORDSA-N 445.230 4.378 5 20 IIBD COC(=O)[C@@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(Cl)c1 733823172 GFPWLJDVWJYBFG-INIZCTEOSA-N 432.841 4.443 5 20 IIBD CCOC(=O)N1[C@@H](C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@@H]1c1ccc(C)o1 736462319 WWVZOGBVLZNRAP-QZTJIDSGSA-N 449.891 4.470 5 20 IIBD CN(CC1(c2ccc(Br)cc2)CC1)C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] 741201128 RCGCGCHBMIPLKW-UHFFFAOYSA-N 425.229 4.439 5 20 IIBD C[C@H](Sc1n[nH]c(-c2cc(F)cc(F)c2)n1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 741855750 PBCQZPOGZQHBNY-QMMMGPOBSA-N 439.831 4.431 5 20 IIBD COc1ccc(-n2c(NC(=O)COc3ccc([N+](=O)[O-])c(F)c3)nc3ccccc32)cc1 741986816 BOLUIIPJCYLIKA-UHFFFAOYSA-N 436.399 4.099 5 20 IIBD O=C(Nc1cccc(OS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1)C1CC1 742280230 PJZGNCKMTAHMFT-UHFFFAOYSA-N 431.253 4.018 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc2c(C(F)(F)F)cc(=O)oc2c1 742624323 LAQFQLFESXHWAD-UHFFFAOYSA-N 443.355 4.050 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C2SCCS2)cc1OC 742624382 OFIKYWMFKITSHF-UHFFFAOYSA-N 441.552 4.412 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)c1cccc(C(=O)N(C)CC(C)(C)C)c1 744056303 CEZXDDSVCMVVLX-UHFFFAOYSA-N 428.485 4.469 5 20 IIBD Cc1cccc2c(CCC(=O)OC[C@@H]3CCCN3C(=O)c3ccccc3[N+](=O)[O-])c[nH]c12 744115422 AVBYYMSVYFLMGF-SFHVURJKSA-N 435.480 4.165 5 20 IIBD CC(C)(COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC(=O)OCc1ccccc1 744318591 SCIDFQQWLJBSEW-UHFFFAOYSA-N 440.374 4.475 5 20 IIBD CC(C)N(Cc1ccc(F)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 746181718 IDYDAXUGZAJCBB-UHFFFAOYSA-N 431.283 4.096 5 20 IIBD O=C(Nc1ccn(Cc2ccccn2)n1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 748783192 GENNIVPCNFKNQX-UHFFFAOYSA-N 428.452 4.099 5 20 IIBD Cc1ccc(Cn2c(SC[C@@H](O)c3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)cc1 749640762 VCDKUPIMYWMBLU-JOCHJYFZSA-N 447.516 4.487 5 20 IIBD O=C(COc1c(Cl)cccc1Cl)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 750428616 TZZUQZZTZVFJFX-UHFFFAOYSA-N 440.283 4.135 5 20 IIBD CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1 753432902 ODUXBKPDEMVEGS-GFCCVEGCSA-N 449.257 4.052 5 20 IIBD C[C@H](Nc1ccc(C(=O)O[C@@H]([C@@H]2CCCO2)C(F)(F)F)cc1[N+](=O)[O-])c1ccccn1 757572623 WSMOECPWAMRMCO-IGNZVWTISA-N 439.390 4.430 5 20 IIBD CCCN1CCN(c2ccc(NC(=O)c3cc(F)c([N+](=O)[O-])cc3F)cc2Cl)CC1 763423826 MHTZWJABVCBYMD-UHFFFAOYSA-N 438.862 4.311 5 20 IIBD C[C@@H](C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(Br)cc1 766993730 DHWCBWWXKLZORZ-SNVBAGLBSA-N 441.665 4.296 5 20 IIBD O=[N+]([O-])c1ccc2nc(Sc3ccc(CN4CCC[C@@H](O)C4)cc3[N+](=O)[O-])sc2c1 768141139 OMYUSUKGWBAOHL-CQSZACIVSA-N 446.510 4.221 5 20 IIBD Cc1ccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)o2)cc1 768292516 SNEVRRXIOKKTEZ-UHFFFAOYSA-N 434.861 4.249 5 20 IIBD CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)OCc1ccc(Br)c([N+](=O)[O-])c1 773358451 BVJHDGHKHQCQPB-SFHVURJKSA-N 445.269 4.365 5 20 IIBD CN(C)c1ccc(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)CC2)cc1 775972308 UUXWBVHWJGXENJ-UHFFFAOYSA-N 432.318 4.443 5 20 IIBD Cc1c(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 778207972 BWKKPFWHMYRSHI-UHFFFAOYSA-N 447.860 4.468 5 20 IIBD O=C(COC(=O)c1cccc([N+](=O)[O-])c1Br)Nc1cccc2ccccc12 781674158 BAPRMUUQYGPIMS-UHFFFAOYSA-N 429.226 4.306 5 20 IIBD COc1cccc([C@@H](OC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c2ccncc2)c1 782456699 LIHHPGMASGMPGO-QFIPXVFZSA-N 430.420 4.131 5 20 IIBD O=C(OCc1nnc(C2CC2)n1C1CC1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 783115451 ZKBBVIWOOXUXQB-UHFFFAOYSA-N 433.468 4.368 5 20 IIBD CC[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1OC(F)F 783298142 RQYNOLYPLFMXPR-CYBMUJFWSA-N 427.791 4.056 5 20 IIBD CN(C)c1ccc(N2CCC(NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 784046224 OAPCFMWTSCYQTI-UHFFFAOYSA-N 448.976 4.192 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1F)N(Cc1cccc(Br)c1)C1CCOCC1 786670272 IGCHXLOIWOTGOZ-UHFFFAOYSA-N 437.265 4.318 5 20 IIBD Cc1cnc(CC(=O)O[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)s1 787026140 MSXOUYFEIACBQL-LJQANCHMSA-N 445.884 4.479 5 20 IIBD O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)c1cc([N+](=O)[O-])ccc1Cl 789316195 FBGUBVOJJLTAPP-OAHLLOKOSA-N 442.686 4.480 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Oc2cccc(-c3nccs3)c2)cc1[N+](=O)[O-] 790872810 MZEGGGPTXOXTBG-UHFFFAOYSA-N 439.478 4.217 5 20 IIBD CC(C)(C)OC(=O)NC[C@](C)(NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])C1CC1 798292055 UIJUBOAPKKICBO-QHCPKHFHSA-N 440.500 4.080 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 799234516 DWFRLAWYLLTLCW-UHFFFAOYSA-N 428.323 4.242 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2cn3cc(Cl)cc(Cl)c3n2)cccc1[N+](=O)[O-] 799587514 AYGVYJOXEAKUEZ-SNVBAGLBSA-N 437.239 4.042 5 20 IIBD CON(CC1CCOCC1)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 801593041 ZEAFDUYYOSTJCZ-UHFFFAOYSA-N 433.892 4.291 5 20 IIBD CN(c1ccc(Oc2c([N+](=O)[O-])cccc2[N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1F 804322477 HLKNLKVITDEQEL-UHFFFAOYSA-N 447.400 4.260 5 20 IIBD COC(=O)c1nc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)sc1C(C)C 809386631 CKXYJMPTVTZMAH-UHFFFAOYSA-N 446.529 4.450 5 20 IIBD CC(C)S(=O)(=O)c1ccc(C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 811219315 UDCMXQMROQJAJW-UHFFFAOYSA-N 446.506 4.257 5 20 IIBD CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1C 811375362 YFJDSHACGUTPCJ-JTQLQIEISA-N 427.240 4.477 5 20 IIBD C[C@@]1(C(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCCN1C(=O)c1ccccc1 815209834 FZFZCLYTOGOFCA-FQEVSTJZSA-N 436.386 4.352 5 20 IIBD C/C(=C/C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)c1ccc(C(F)(F)F)cc1 819211641 CTSKMFZRZHYJFJ-PFONDFGASA-N 447.413 4.002 5 20 IIBD NC(=O)c1c(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)sc2c1CCCCC2 873002664 GGORRKGIXILMDT-UHFFFAOYSA-N 438.303 4.039 5 20 IIBD CC(C)[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)C(=O)N1CCCC1 877721623 VANJLYFOLZILGE-NRFANRHFSA-N 425.485 4.011 5 20 IIBD C[C@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1nc(-c2cccs2)no1 914617349 UDBJXALDURLENH-ZDUSSCGKSA-N 428.470 4.227 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cnn(-c2ccc(F)cc2)c1C(C)C 914670341 YQVVUJQQHRPZKJ-UHFFFAOYSA-N 440.431 4.147 5 20 IIBD O=C(COc1ccccc1Cc1ccccc1)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 914796459 AKOZMJMVNGCVCI-UHFFFAOYSA-N 445.431 4.358 5 20 IIBD C[C@@H](OC(=O)c1cc(F)cc(Br)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 915592117 QTWFBOIHFHNDPL-SECBINFHSA-N 436.193 4.464 5 20 IIBD C[C@@H](NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 917703096 YVDOGXYZKATWQZ-SNVBAGLBSA-N 429.376 4.491 5 20 IIBD COc1cc(-c2noc(CCC(=O)Oc3cc([N+](=O)[O-])ccc3C)n2)cc(Cl)c1OC 918157511 JFLHUXPJCDFHRG-UHFFFAOYSA-N 447.831 4.162 5 20 IIBD O=C(CCc1ccc2ccccc2c1)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 920146891 AYQJWLGNJDWZBW-UHFFFAOYSA-N 426.856 4.307 5 20 IIBD Cc1nnnn1/C(=C/c1cccc(F)c1)C(=O)Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-] 920330428 DDSAKRNIABPJKW-FYJGNVAPSA-N 445.410 4.300 5 20 IIBD Cc1cc(Cl)ccc1N1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OC(F)F)NC1=S 920836706 KBLYBDFRHOSZFB-JYRVWZFOSA-N 439.827 4.420 5 20 IIBD CC(C)(C)OC(=O)N1CCCC[C@H]1CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 921060148 DBRYOWXVXMNXKS-KRWDZBQOSA-N 432.521 4.032 5 20 IIBD O=C(CCc1nc(-c2ccccc2)no1)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 1321458990 XBYRZHZBBMJLOR-UHFFFAOYSA-N 442.431 4.447 5 20 IIBD COc1ccccc1-c1noc([C@H](C)NCc2ccc([N+](=O)[O-])cc2Br)n1 1324151474 YOOLHMPRNLQJTE-NSHDSACASA-N 433.262 4.267 5 20 IIBD CC(C)(NC(=O)c1nn(-c2ccccc2F)cc1Br)c1ccccc1[N+](=O)[O-] 1324303211 QQSYVXWBHUWKMH-UHFFFAOYSA-N 447.264 4.347 5 20 IIBD Cc1nscc1C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1 1785747781 AZAUBSYEWZCLNW-UHFFFAOYSA-N 426.454 4.014 5 20 IIBD COc1cc(C(=O)NC2(c3ccc(NC(=O)c4[nH]ccc4C)cc3)CCC2)ccc1[N+](=O)[O-] 1787105835 QWADKBHYDQOHJA-UHFFFAOYSA-N 448.479 4.301 5 20 IIBD Cn1cccc1C(=O)Nc1ccc(C2(NC(=O)CCc3cccc([N+](=O)[O-])c3)CCC2)cc1 1787261886 IDTOJYGODOQRQF-UHFFFAOYSA-N 446.507 4.314 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)NC1(c2ccc(NC(=O)c3cnoc3)cc2)CCC1 1788708524 VEYGRTCOHDJYKX-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C3(NC(=O)c4ccccc4)CCC3)cc2)n1 1788853415 LLYSVXMZNVDBBG-UHFFFAOYSA-N 446.463 4.060 5 20 IIBD Cc1cnoc1C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])cc2)CCC1 1792317230 DHPKOUMVYPRIPB-KPKJPENVSA-N 446.463 4.352 5 20 IIBD Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2c(F)ccc([N+](=O)[O-])c2C)c(C)c1 1800699950 QYLMVIPYLMPBPR-BCDXTJNWSA-N 439.487 4.225 5 20 IIBD CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC2)CCC1 1830612938 MJZAFXJCCYBUFL-FQEVSTJZSA-N 431.508 4.157 5 20 IIBD CC1(C)CCC(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1847994643 JLLHPOWWRCUJCO-VXKWHMMOSA-N 441.572 4.336 5 20 IIBD COc1ccc([C@H](N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c2ccccc2)cc1 10351648 JVUJHFMTLSAHBJ-QMHKHESXSA-N 435.480 4.318 5 20 IIBD C[C@@H](OC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)C(=O)Nc1ccccc1[N+](=O)[O-] 12270288 BNLQZSVOTPWIKQ-GFCCVEGCSA-N 445.378 4.031 5 20 IIBD COc1cc(CCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc(OC)c1OC 14376715 OGFKBEJUJCBZER-UHFFFAOYSA-N 443.481 4.315 5 20 IIBD COc1ccc(C(=O)COC(=O)c2cc(SC)ccc2[N+](=O)[O-])cc1Br 16196892 SNSCWANFZYKGBE-UHFFFAOYSA-N 440.271 4.128 5 20 IIBD O=C(COC(=O)c1cc2c(OC(F)F)cccc2[nH]1)Nc1cc(Cl)ccc1[N+](=O)[O-] 25656749 RZTSNIIDTLMLQE-UHFFFAOYSA-N 439.758 4.126 5 20 IIBD O=C(COC(=O)c1c2ccccc2cc2ccccc12)Nc1cc2c(cc1[N+](=O)[O-])OCO2 26422647 JDQUIMZGAQWKMD-UHFFFAOYSA-N 444.399 4.425 5 20 IIBD O=C(NCc1ccccc1F)c1ccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1 58416623 IWECODGPQHLFDB-UHFFFAOYSA-N 432.411 4.398 5 20 IIBD CCCCN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1CC(C)(C)NC(C)(C)C1 111024279 ALJUAVRNSKNVPZ-UHFFFAOYSA-N 427.549 4.332 5 20 IIBD CNS(=O)(=O)c1cccc([C@H](C)Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])c1 301144137 IJIGMDGPBZLSME-VIFPVBQESA-N 437.827 4.348 5 20 IIBD C[C@@H](c1ccccc1)N1CCC(Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 301315437 MJKDHKIGVOUUPL-AWEZNQCLSA-N 439.484 4.229 5 20 IIBD O=[N+]([O-])c1cc(Br)cnc1N1CCCN(Cc2ccc(Cl)cc2)CC1 301685657 LLPNLXXORLJUFW-UHFFFAOYSA-N 425.714 4.118 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC(c3nc4cc(Cl)ccc4o3)CC2)s1 301986894 MSPMRBZPOBSYHJ-UHFFFAOYSA-N 441.918 4.238 5 20 IIBD C[C@@H](NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1ccc(OCC(F)(F)F)cc1 303488660 RRJODKAIBACNPL-LLVKDONJSA-N 435.358 4.281 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 303520659 YXQDZYVSUOULOF-CQSZACIVSA-N 440.475 4.430 5 20 IIBD Cn1c(CCNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)nc2ccc(F)cc21 409608225 MWDCRYBPUPXQDK-UHFFFAOYSA-N 433.443 4.337 5 20 IIBD Cc1cc(NC(=O)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1Oc1ccncc1 427581152 VDLAIJXDFWTJCL-MRXNPFEDSA-N 434.452 4.215 5 20 IIBD O=C(NC1CC1)c1cc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])ccc1Cl 429858340 FNPFCNIPVBMLDL-UHFFFAOYSA-N 438.665 4.155 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N[C@H](CO)CC(F)F 430524635 LWJCTOSFLAGYMY-HNRFISLBSA-N 447.463 4.268 5 20 IIBD CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 436244645 KRNOHTCGQXOHPR-UHFFFAOYSA-N 435.474 4.164 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC(c2nc(-c3ccccn3)no2)CC1 437208617 UCZPEQHXMOFDOW-UHFFFAOYSA-N 447.373 4.078 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])Nc1ccc(CCn2cc(Br)cn2)cc1 438363429 HHMHBJPCMCZYSB-UHFFFAOYSA-N 444.289 4.118 5 20 IIBD Cc1ccc(Br)cc1CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 438924011 VQHZDNJLKMPCIW-UHFFFAOYSA-N 432.318 4.199 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCC(F)(c3cccc(OC)c3)CC2)c(C)c([N+](=O)[O-])c1 439398447 QPQFRZQKKPDVLJ-UHFFFAOYSA-N 445.447 4.191 5 20 IIBD Cc1cncc(N(Cc2ccc(F)cc2)C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)c1 441420015 DYYIOXLCBOKLQZ-UHFFFAOYSA-N 446.442 4.173 5 20 IIBD O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1c[nH]c2cccc([N+](=O)[O-])c12 443569376 UTRLZOSQEREVJK-HXUWFJFHSA-N 428.448 4.056 5 20 IIBD Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)ccc1C(F)(F)F 443929213 RUINSQULHJKGNX-ZDUSSCGKSA-N 427.404 4.227 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@@H]1CCCO[C@@H]1c1ccccc1 445923080 HBFPJZLBHKHBAJ-OXJNMPFZSA-N 433.302 4.184 5 20 IIBD CCCC(=O)Nc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1C 447005180 FFQYCVRBJICJGM-UHFFFAOYSA-N 445.419 4.461 5 20 IIBD CCc1ccc([C@@H](NCc2ccc(C)c(S(C)(=O)=O)c2)c2ccc([N+](=O)[O-])cc2)o1 447560270 VKIZKAKSCOSRDK-QFIPXVFZSA-N 428.510 4.341 5 20 IIBD CS(=O)(=O)c1cc(C(=O)Nc2ccc(-c3ccc(Cl)s3)cn2)cc([N+](=O)[O-])c1 448514970 YRXQTELQQPXPIF-UHFFFAOYSA-N 437.886 4.028 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H](C)CN(C)C(C)C)cc1[N+](=O)[O-] 461026323 JSRMFHDYYHTLHG-OAHLLOKOSA-N 429.542 4.006 5 20 IIBD CN(CCc1cccc([N+](=O)[O-])c1)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCOC1 461550698 LHDGOZJUUJXURC-KRWDZBQOSA-N 441.919 4.222 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21 461631555 POUVREPPMFNZGN-NHYWBVRUSA-N 440.568 4.195 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc([S@@](C)=O)cc2)cc1 461636406 PKHZUNZDUZQMSI-SSEXGKCCSA-N 426.450 4.385 5 20 IIBD CCOc1cc(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)c([N+](=O)[O-])cc1OC 462377053 NJTYTDJEOVHNJG-CTYIDZIISA-N 449.301 4.441 5 20 IIBD COC(=O)[C@H](C)NC(=O)c1ccc(N[C@@H](C)c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 462888479 ODQZZNIWVDOTBM-RYUDHWBXSA-N 439.390 4.078 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 464262294 DUAFDHCHDXSHRU-KRWDZBQOSA-N 427.457 4.430 5 20 IIBD Cc1csc(Sc2ccc(NC(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)cc2)n1 465034648 ZWZSLSSMOXCFMU-UHFFFAOYSA-N 443.506 4.463 5 20 IIBD CC(=O)c1ccccc1C(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 468392559 LQFNYUIEHZRGMI-UHFFFAOYSA-N 449.532 4.484 5 20 IIBD Cc1cc(C)n(-c2ccc([C@H](C)NS(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2)n1 468892003 HBXFLMMPZVJJSO-AWEZNQCLSA-N 434.905 4.090 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 470832560 RCBYPDSPRFOQQJ-UHFFFAOYSA-N 444.440 4.218 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ccc(N2CCCCC2)c2ncccc12 471446456 ITNRHULEMCAEOI-UHFFFAOYSA-N 448.479 4.086 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](OCc2ccccc2)C1(C)C 471690667 YHMDYFXAWYPJSW-SFTDATJTSA-N 444.553 4.447 5 20 IIBD COC(=O)COc1ccc(CNc2cccc(NC(=O)c3cccs3)c2)cc1[N+](=O)[O-] 474364009 YZCANINUXTYLDJ-UHFFFAOYSA-N 441.465 4.073 5 20 IIBD COc1ccc(C[C@@H](C)CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1OC 476156709 NHCSFRYNICHKIJ-QGZVFWFLSA-N 429.517 4.411 5 20 IIBD COc1ccc(CN(CCc2ccccn2)C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)cc1 478112200 JYAWURYSFCOXSU-UHFFFAOYSA-N 435.480 4.201 5 20 IIBD CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 479680439 XOIPBUYJWWYCME-QVKFZJNVSA-N 431.920 4.357 5 20 IIBD Cc1c(CNC(=O)N2CCO[C@@H](c3ccc(Br)cc3)[C@@H]2C)cccc1[N+](=O)[O-] 480058100 JSIVUBYYIPDOSH-IFXJQAMLSA-N 448.317 4.337 5 20 IIBD COC(=O)c1ccc([C@H](NCCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C(F)(F)F)cc1 481410528 CWLJWXAEGGHJPS-IBGZPJMESA-N 449.385 4.472 5 20 IIBD CC(=O)N[C@H](C)C1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 482519123 OJEBCKNINUNLDK-GOSISDBHSA-N 447.539 4.184 5 20 IIBD COC(=O)[C@@](C)(CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccccc1 485706979 DGCIAUDCQGPFSP-VWLOTQADSA-N 448.475 4.035 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2nc(C)c(C)s2)nnc1-c1ccc([N+](=O)[O-])cc1 489410853 UXHMEFCWIBCKPI-LBPRGKRZSA-N 432.531 4.066 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Sc2nnc(CCCc3ccccc3)o2)c([N+](=O)[O-])c1 489680729 NAJYFPAKELOWHL-CQSZACIVSA-N 442.497 4.281 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc1[N+](=O)[O-] 491680601 UNZBPPSOCKMJTK-UHFFFAOYSA-N 431.514 4.029 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 492938621 VUYIFWNCROOWGY-QFBILLFUSA-N 440.500 4.094 5 20 IIBD CCOc1ccc(Oc2cc(CNc3cccc(S(C)(=O)=O)c3[N+](=O)[O-])ccn2)cc1 497542005 XMBYPBUDGMTCSO-UHFFFAOYSA-N 443.481 4.196 5 20 IIBD C[C@@H](c1ccccc1C(F)(F)F)[C@@H](C)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 500117827 GFOLVLLAACXDCO-ZIAGYGMSSA-N 437.418 4.042 5 20 IIBD COCCn1cc(CNCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)cn1 500375990 YFXIHRWJAJHDGB-UHFFFAOYSA-N 434.855 4.312 5 20 IIBD O=C(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)NCc1ccccc1COc1ccccc1 504553272 GKCQHIOENZUODG-UHFFFAOYSA-N 442.475 4.354 5 20 IIBD O=C(Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1)c1cc([N+](=O)[O-])cnc1O 505431847 ZJNHYFJJIASMLN-UHFFFAOYSA-N 437.799 4.337 5 20 IIBD O=C(c1ccco1)N1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 505848749 YXHXKFUFYJOKDH-UHFFFAOYSA-N 425.416 4.077 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)CS3)cc1[N+](=O)[O-])c1ccccn1 506046463 XRZJIQYZEDVKEN-CYBMUJFWSA-N 449.492 4.459 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC([C@@H](F)c2ccccc2F)CC1 506567441 RSJUWXXRHPXTHK-HXUWFJFHSA-N 447.438 4.021 5 20 IIBD C[C@H](NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccncc2)cc1 506822768 RSVXGVRABKETKR-JKSUJKDBSA-N 433.468 4.364 5 20 IIBD O=C(Nc1ccc(C(=O)NC2CCCCC2)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 509586878 UJTWAWIIKMOKLZ-UHFFFAOYSA-N 433.468 4.095 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1ccc2ncccc2c1 510475994 HOXKFHXHDMICNV-UHFFFAOYSA-N 433.205 4.308 5 20 IIBD C[C@H](NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCCN(C2CCC2)C1 511269628 ZQOYJWMDOCZGCH-UONOGXRCSA-N 445.507 4.475 5 20 IIBD CSc1cccc(C(=O)Nc2ccc(Cl)c(F)c2N2CCOCC2)c1[N+](=O)[O-] 512901181 OJHSBXVTBSNORJ-UHFFFAOYSA-N 425.869 4.198 5 20 IIBD Cc1cc(C)c(-c2csc(NC(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)n2)cc1C 516776531 ZJTYOLRFPSWKJF-UHFFFAOYSA-N 445.522 4.299 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NCC1(c2ccccc2)CCCCCC1 518134918 IDQMCFVQCSJGGB-UHFFFAOYSA-N 443.931 4.386 5 20 IIBD CNC(=O)COc1cccc(CN[C@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)c1 518581761 OPUAGOKNEUWVAH-OAHLLOKOSA-N 425.510 4.299 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1cccc2cccnc12 521733580 WADGTENSRKTZMJ-UHFFFAOYSA-N 433.390 4.073 5 20 IIBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1cccc(OCc2ccc(Cl)cc2)c1 522064259 GNVCHGSKFDGOTC-UHFFFAOYSA-N 439.855 4.196 5 20 IIBD CCOC(=O)Cn1ccc2cc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])ccc21 522787285 WJUJOCFKFSYBDV-CYBMUJFWSA-N 445.859 4.172 5 20 IIBD COc1ccc(CC(=O)NCC2(c3cc(F)cc(C(F)(F)F)c3)CC2)cc1[N+](=O)[O-] 527202382 YFBNGVQXYKBTNE-UHFFFAOYSA-N 426.366 4.152 5 20 IIBD CCOc1cc(C(=O)Nc2cc(F)ccc2OCC(F)(F)F)c([N+](=O)[O-])cc1OC 530737973 WMKADXUZPZESAI-UHFFFAOYSA-N 432.326 4.335 5 20 IIBD CC(C)[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccc2c(c1)OCCO2 531503916 OSDBFULOBXGALA-HXUWFJFHSA-N 449.301 4.185 5 20 IIBD COCCOc1cc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)nc2ccccc12 534000855 OBUKLUXGUCCLFF-QFIPXVFZSA-N 439.493 4.056 5 20 IIBD COc1ccc(NC(=O)CCSc2nnc(C)n2[C@H]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 534607555 IIOCMZONWCIFJD-ZFWWWQNUSA-N 433.534 4.375 5 20 IIBD CN1CC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 534958850 IZPPJHIRLLDSOA-XOBRGWDASA-N 440.302 4.392 5 20 IIBD COc1ccccc1COc1cccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1C 535467586 FGZIYNBBWKHCFQ-UHFFFAOYSA-N 436.420 4.472 5 20 IIBD CC(C)(C)OC(=O)C1CCC(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 535805248 PLOYITFLUYLPRQ-UHFFFAOYSA-N 434.536 4.171 5 20 IIBD O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 538243119 OQNMTEZPYRHBDZ-NQIIRXRSSA-N 429.904 4.111 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@@H](Oc4ccc(C(F)(F)F)cn4)C3)o2)c1 538959995 XEGOIRMLECDLAX-QGZVFWFLSA-N 448.401 4.359 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CCO[C@]4(CCOC4)C3)o2)c(Br)c1 539979790 SFGOONAXZOSZOJ-BFUOFWGJSA-N 437.290 4.045 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@H]1CC(=O)c1ccco1 540770914 BQMUBTWUIDFNCU-MRXNPFEDSA-N 432.498 4.194 5 20 IIBD COc1ccc([C@H](CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)N2CCCCC2)cc1 541582309 LCYUJGXGXZTUTR-ZHRRBRCNSA-N 429.492 4.189 5 20 IIBD C[C@H](C(=O)Nc1cccc(NC(=O)NCc2ccncc2)c1)c1ccc([N+](=O)[O-])cc1F 542594303 BPNFWGCKIMBYON-AWEZNQCLSA-N 437.431 4.193 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CC[C@H](OCCN2CCCC2)C1 542655838 MSWPXJSRJBNSPD-FQEVSTJZSA-N 447.601 4.204 5 20 IIBD Cc1cc(C(=O)NCC(=O)N[C@@H](Cc2ccccc2)c2sccc2C)ccc1[N+](=O)[O-] 542949881 CQZHZHMXZDJBMH-IBGZPJMESA-N 437.521 4.103 5 20 IIBD O=[N+]([O-])c1ccc2nc(O)cc(-c3nc(Cc4ccc(F)c(Br)c4)no3)c2c1 544345465 ARIAFVSCHSFMCZ-UHFFFAOYSA-N 445.204 4.391 5 20 IIBD CCn1cc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c(=O)c2cc(Cl)ccc21 544677241 DTJOGMGSUIGRSA-UHFFFAOYSA-N 425.872 4.388 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(-c3ccc(N4CCOCC4)c(F)c3)no2)cc(C(F)(F)F)c1 545007880 SGDJBNRXRRVROL-UHFFFAOYSA-N 438.337 4.306 5 20 IIBD CC(=O)N1CCc2c(NC(=O)c3ccc(N4C[C@@H](C)C[C@@H](C)C4)c([N+](=O)[O-])c3)cccc21 545307017 JYKBDQWSVUJHEG-IYBDPMFKSA-N 436.512 4.238 5 20 IIBD O=[N+]([O-])c1ccc2c(ccn2Cc2nc(Cc3nc(O)c4c(C5CC5)csc4n3)no2)c1 545573852 AXCOEEJWSKCLBM-UHFFFAOYSA-N 448.464 4.159 5 20 IIBD O=C(NCCOC[C@@H]1CCCO1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 545939531 XTZVBZYBBKVMIO-HNNXBMFYSA-N 436.917 4.325 5 20 IIBD CC(C)CCSc1ccc(-c2nc(-c3cccnc3-n3cncn3)no2)cc1[N+](=O)[O-] 546360416 FXLORAKHWHSUQX-UHFFFAOYSA-N 437.485 4.426 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@](F)(c3ccccc3F)C2)c(C(F)(F)F)c1 554913820 LVGWMXNNTDVCBK-MRXNPFEDSA-N 436.358 4.012 5 20 IIBD O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CCC=C(c2ccccc2)C1 560158373 SUDHZTVPQWRFSE-UHFFFAOYSA-N 434.233 4.129 5 20 IIBD CCOc1cc(C(=O)N[C@@H]2CC[C@@H](c3ccccc3)C[C@H]2OC)c([N+](=O)[O-])cc1OC 564189805 HJHWWSQPAKIDOB-YVWKXTFCSA-N 428.485 4.083 5 20 IIBD CCN(CC)C(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c1 575007174 YZOADTBDMVDLJI-UHFFFAOYSA-N 434.290 4.400 5 20 IIBD O=[N+]([O-])c1ccn(C2CCN(Cc3cc(C(F)(F)F)ccc3Br)CC2)n1 577598233 LAVWRNVPVOPWKQ-UHFFFAOYSA-N 433.228 4.410 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 579524448 BVIONASNIOPFGW-UKRRQHHQSA-N 440.378 4.216 5 20 IIBD O=C(N[C@H](c1noc(-c2ccc([N+](=O)[O-])cc2Br)n1)C1CC1)c1ccccc1 580676870 IUVDQYOZBRSZDK-INIZCTEOSA-N 443.257 4.288 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(CNc2ccc(CC(=O)N(C)c3ccccc3)cc2)c1 589503816 IBKSJZZROZQKPQ-UHFFFAOYSA-N 433.464 4.199 5 20 IIBD COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1ccc([N+](=O)[O-])c(O)c1)CC2 596743459 HNTXNSXVQKZBLQ-NRFANRHFSA-N 440.477 4.167 5 20 IIBD O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1cc2c(cc1[N+](=O)[O-])OCO2 603941099 LDTOJVGUKBPJGS-SFHVURJKSA-N 429.432 4.367 5 20 IIBD COc1cc(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])cc1OC 604195450 IIFJBSJHUCTSBF-UHFFFAOYSA-N 432.860 4.001 5 20 IIBD CCOc1cc2c(cc1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])O[C@H](C)C2 604445358 YRFVSSLRXIFRRK-CHWSQXEVSA-N 434.876 4.054 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 608877399 FBHVPKIGVYRXKB-KPZWWZAWSA-N 436.295 4.384 5 20 IIBD Cc1sc(CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)nc1-c1ccc(Cl)cc1 608958938 BZRDEZJTNRTLHE-UHFFFAOYSA-N 445.884 4.381 5 20 IIBD Cc1c(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cccc1OCC(F)(F)F 609049307 DTCWPVBMJQZRDX-UHFFFAOYSA-N 438.406 4.198 5 20 IIBD C[C@@H](NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1cc2ccccc2o1 609417994 PTWUJDIZJWYRJK-SNVBAGLBSA-N 425.260 4.143 5 20 IIBD CN(CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)CC(F)(F)F 609564505 HLHVTYPADSIHRY-UHFFFAOYSA-N 436.228 4.201 5 20 IIBD Cc1cc(=O)c(C(=O)Nc2cccc(Cl)c2OC(C)C)nn1-c1ccccc1[N+](=O)[O-] 609817504 WBUBEBSTWWNBTC-UHFFFAOYSA-N 442.859 4.142 5 20 IIBD O=C(Nc1cc(Br)ccc1N1CCOCC1)c1cc(Cl)cc([N+](=O)[O-])c1 609853759 VSLGGSPTTIXKQT-UHFFFAOYSA-N 440.681 4.100 5 20 IIBD C[C@H](O)C[C@H](C)CNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 610146246 QKQVQMUHSOKYLX-STQMWFEESA-N 439.871 4.386 5 20 IIBD O=C(NCCCc1cccc(Br)c1)c1ccc(Br)cc1[N+](=O)[O-] 610570901 DSNXBTNETCWDAF-UHFFFAOYSA-N 442.107 4.482 5 20 IIBD Cc1cc(C)c(S(=O)(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] 617225276 WDEZASPYBXMMOF-QWRGUYRKSA-N 448.385 4.399 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(Sc2nc(C)cs2)cc1 619466571 AVHUUNPVUSAXCL-UHFFFAOYSA-N 437.524 4.320 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Oc2cccc(Oc3ccccn3)c2)ccc1[N+](=O)[O-] 726729325 BLCBRLYFZFAJHB-NRFANRHFSA-N 447.447 4.301 5 20 IIBD Cc1ccc(/C(O)=C(/C(=S)Nc2ccc(Cl)nc2)[n+]2cccc(O)c2)cc1[N+](=O)[O-] 727159162 CPHYXLAFFCOYMZ-UHFFFAOYSA-O 443.892 4.268 5 20 IIBD COc1ccc(CC(=O)Nc2cccc(CN(C)C(=O)OC(C)(C)C)c2)cc1[N+](=O)[O-] 727674030 INSKXAUPBBILDQ-UHFFFAOYSA-N 429.473 4.152 5 20 IIBD Cc1cc[n+](/C(C(=S)NCCc2cccs2)=C(/O)c2ccc([N+](=O)[O-])cc2)cc1 727812800 UZKDOAPKOLIWOC-UHFFFAOYSA-O 426.543 4.296 5 20 IIBD O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 734177135 IOQQNURIPRCFOC-UHFFFAOYSA-N 426.778 4.401 5 20 IIBD Cc1ccc[n+](/C(C(=S)Nc2ccc3c(c2)OCO3)=C(/O)c2cccc([N+](=O)[O-])c2)c1 735296724 QMSAFDZFRQFDMJ-UHFFFAOYSA-O 436.469 4.243 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@H]2CCCN(c3cc(C)ccc3F)C2=O)cc1SC 735716349 DSVDLGFCANZSQA-KRWDZBQOSA-N 448.472 4.125 5 20 IIBD CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1Br 739567975 SCCYWQLFWPJTCZ-GFCCVEGCSA-N 444.326 4.027 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)[C@@H](C)N2[C@@H](C)CC[C@H]2C)c2ccccc2)c([N+](=O)[O-])c1 741022558 RVIBCZOJCRIWCC-WYADAEROSA-N 439.512 4.388 5 20 IIBD Cc1cnc(CNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 742119822 KLSHTTYNFUEHGK-UHFFFAOYSA-N 430.873 4.195 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(-c3cccc(Cl)c3)no2)c([N+](=O)[O-])c1 748926677 WUYOLCXJXJEGFN-LLVKDONJSA-N 445.815 4.096 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1c(C)[nH]c2ccc(Cl)cc12 751927734 PLWPNLLDDBOJQH-NSHDSACASA-N 431.832 4.231 5 20 IIBD CCCc1c(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cnn1-c1cccc(F)c1 752408454 ZTCXMITVWRMDTA-UHFFFAOYSA-N 441.419 4.352 5 20 IIBD C[C@H](OC(=O)C[C@H](C)c1ccncc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 754942994 TXTIAYATYILYTA-KBPBESRZSA-N 440.481 4.177 5 20 IIBD CC(C)CC(=O)Nc1ccc(C(=O)COC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 755067526 SCJMEHBOKNIVGW-AWEZNQCLSA-N 430.432 4.248 5 20 IIBD C[C@H](C(=O)OCc1csc(CC(=O)Nc2ccccc2)n1)c1ccc([N+](=O)[O-])cc1F 755069108 XWPHJDHDIMNMMF-ZDUSSCGKSA-N 443.456 4.219 5 20 IIBD CCOc1cc(COC(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)ccc1[N+](=O)[O-] 755530265 PRNCWDLVRYXOJC-UHFFFAOYSA-N 442.859 4.462 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 757080610 OAUBJUSAUHNZJT-OAQYLSRUSA-N 449.488 4.286 5 20 IIBD O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCC[C@@H](O)c1ccc(Cl)c(Cl)c1 758183159 URKGJWOMVDUTBM-QGZVFWFLSA-N 426.256 4.394 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(-c2n[nH]c(C3CC3)n2)cc1 760529050 MRTZXBPENQWFPW-UHFFFAOYSA-N 431.408 4.269 5 20 IIBD O=Cc1ccc(OCC(=O)Nc2ccc(CC[C@@H](O)c3ccccc3)cc2)c([N+](=O)[O-])c1 763001788 MCSFEJNCWWHXMQ-JOCHJYFZSA-N 434.448 4.091 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]1c1noc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 763351345 WTIYYDUEEAVRHN-INIZCTEOSA-N 429.477 4.317 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1ccc(N2CCCC2)cc1C 763810904 RERGTVMNDFQOOZ-UHFFFAOYSA-N 443.525 4.411 5 20 IIBD COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1C 767225907 MAGRSXDVCUNTTH-UHFFFAOYSA-N 427.638 4.358 5 20 IIBD O=C(CCCOc1ccc2c(c1)CCCC2)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 767531714 CRGSZLCNFWCJSH-UHFFFAOYSA-N 437.452 4.426 5 20 IIBD CCc1nc2ccccc2n1C1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 772378385 MMLVWPAULGDGCM-UHFFFAOYSA-N 441.919 4.436 5 20 IIBD O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)C1(c2cccc(F)c2)CCOCC1 773403285 OBDMULMXSHZLED-UHFFFAOYSA-N 438.249 4.288 5 20 IIBD C[C@H](OC(=O)c1cnc(Oc2ccccc2)cn1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 773682447 SFNFEEMURURMET-LBPRGKRZSA-N 442.815 4.015 5 20 IIBD O=C(O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1cn(-c2ccc(Cl)cc2)nn1 776132046 HNIMVOUAICIAON-FQEVSTJZSA-N 435.827 4.170 5 20 IIBD CCN([C@H](C)Cc1ccsc1)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 778135642 DJZTXSBWGUCXHA-LLVKDONJSA-N 433.349 4.061 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 778761749 SKMCDVDWWHLANI-BPSNYSSFSA-N 444.484 4.237 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](c2ccccc2OC(F)F)C(F)(F)F)cc1[N+](=O)[O-] 779329372 XEGFTRVXCOSTKS-CQSZACIVSA-N 449.288 4.446 5 20 IIBD COc1ccc(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cc1OC1CCCC1 781601494 KOHACGCXWJJCTH-OAQYLSRUSA-N 425.441 4.057 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC(C(F)(F)F)(C(F)(F)F)C1 782124028 QSBIMBYMFQEKAH-UHFFFAOYSA-N 435.118 4.314 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1cc(Cl)ncc1Cl 782220538 ZAPOMRBCWSZXPL-UHFFFAOYSA-N 436.255 4.397 5 20 IIBD C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 782535406 GAKMJCRAFFBMMF-YPMHNXCESA-N 445.829 4.128 5 20 IIBD O=[N+]([O-])c1ccn(C2CCN(Cn3ncc4ccc(OCc5ccccc5)cc43)CC2)n1 782860306 PHKMKMNVUWZBRJ-UHFFFAOYSA-N 432.484 4.015 5 20 IIBD CC(C)c1ccc(C(=O)N2C[C@H]3[C@@H](NC(=O)OC(C)(C)C)CCC[C@H]3C2)cc1[N+](=O)[O-] 784152425 FNZKLGQHKXXOLU-UHOSZYNNSA-N 431.533 4.484 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)CCOc3ccccc3[N+](=O)[O-])CC2)CC1 791037945 JPWKPWLEPXXJFK-UHFFFAOYSA-N 447.532 4.003 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc(OC(F)F)cc(OC(F)F)c1 792105222 PUIYKVCMPZDIRI-UHFFFAOYSA-N 434.254 4.063 5 20 IIBD Cc1cc(OCC(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] 797495930 VHZOMYMVBWBZEB-NSHDSACASA-N 427.240 4.159 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 799525866 OFUMGGWFBXRXEJ-UHFFFAOYSA-N 438.465 4.496 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2[C@H]3C=C(c4ccnn4C)C[C@H]2CC3)CC1 801778022 IJFTUZSPPPLBMF-RTBURBONSA-N 435.528 4.025 5 20 IIBD O=C(OCc1c(F)cc([N+](=O)[O-])cc1F)C1CCN(C(=O)c2ccc(Cl)s2)CC1 803295461 POOBCICMUHHWDO-UHFFFAOYSA-N 444.843 4.184 5 20 IIBD Cc1cc(NC(=O)C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)ccc1-c1ccccc1 808967586 AXPAMPKDKOSKBM-UHFFFAOYSA-N 442.475 4.349 5 20 IIBD CC(C)c1scnc1NC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 809392291 NSKDNJGKQKHFNM-UHFFFAOYSA-N 447.494 4.195 5 20 IIBD C[C@H](c1ccc(F)cc1)N1CCC[C@H](NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O 815652604 JNQJETODJPDFRH-HXOBKFHXSA-N 440.519 4.045 5 20 IIBD C[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(C(F)(F)F)nc1Cl 816763063 MKIXGJSIFYEKND-SNVBAGLBSA-N 439.781 4.339 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(CNc3cccc(Br)c3[N+](=O)[O-])cc2)C[C@@H](C)O1 820640663 VYTYFSWPNIBNSV-OKILXGFUSA-N 448.317 4.219 5 20 IIBD CC(=O)Nc1cccc(NC(=S)/C(=C(/O)c2ccc(C)c([N+](=O)[O-])c2)[n+]2ccccc2)c1 913141366 QNEFUSRWDMJPRW-UHFFFAOYSA-O 449.512 4.472 5 20 IIBD CCCN(C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)[C@H]1CCc2ccccc21 914511771 BAWDSPQJUKGWMK-UZLBHIALSA-N 425.460 4.013 5 20 IIBD Cc1cc(C)c(OC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)c([N+](=O)[O-])c1 916040314 BINFMDIOHOAFTE-UHFFFAOYSA-N 425.462 4.405 5 20 IIBD COc1ccc(Oc2cc(CNc3ccc([N+](=O)[O-])cc3C(=O)NC3CC3)ccn2)cc1 917083102 FTDZBFFYRNJPCK-UHFFFAOYSA-N 434.452 4.295 5 20 IIBD CC(C)Oc1ccc(CCNC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)cc1 917170786 FAOSOQHKBUBCAH-UHFFFAOYSA-N 431.539 4.443 5 20 IIBD Cc1c(NC(=O)c2ccccc2)cccc1NS(=O)(=O)c1cc(F)ccc1[N+](=O)[O-] 917757362 QKVQZCRPGNURGR-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD Cc1csc(Sc2ccc(NC(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)cc2)n1 918159851 LYCQGBFSXVSMNU-UHFFFAOYSA-N 425.495 4.499 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)c1csc(-c2ccc(OC)c(OC)c2)n1 918532379 PUKYXHPSOLZKBW-UHFFFAOYSA-N 444.465 4.491 5 20 IIBD CN(C(=O)COC(=O)CCn1c2ccccc2c2ccccc21)c1ccc([N+](=O)[O-])cc1 919302619 QIOPLPWBRUZNJH-UHFFFAOYSA-N 431.448 4.299 5 20 IIBD Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)CCn2cc([N+](=O)[O-])nc2C)c2ccccc2)c1 920906765 JPUXJXKVZWIYOE-QFIPXVFZSA-N 436.468 4.030 5 20 IIBD Cc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cs1 1116488914 IJZRSDLGRASHJN-UHFFFAOYSA-N 433.486 4.226 5 20 IIBD CS(=O)(=O)NCc1ccc(NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1 1319874638 SLWGWUZCLUVOIH-UHFFFAOYSA-N 435.889 4.170 5 20 IIBD C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1N)c1ccc(OC(F)F)cc1 1340032363 SLSQGAPWGNOWKD-MRVPVSSYSA-N 430.205 4.032 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)NC1(c2ccc(NC(=O)c3cccnc3)cc2)CCC1 1787300761 NMBKWICRCCNSBH-CSKARUKUSA-N 432.436 4.044 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)NC1(c2ccc(NC(=O)c3ccncc3F)cc2)CCC1 1788854074 AMFBWYXFWCZESV-UHFFFAOYSA-N 448.454 4.119 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)CCC1)c1ccc(C2CC2)cc1 1789689646 WNVMACQGNNZOFQ-UHFFFAOYSA-N 445.479 4.257 5 20 IIBD C/C=C(\C)C(=O)Nc1ccc(C2(NC(=O)c3cc([N+](=O)[O-])ccc3N(C)C)CCC2)cc1 1791220434 PKEHGMHPWGDPQR-FZSIALSZSA-N 436.512 4.375 5 20 IIBD CCCCC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)Cn3cc([N+](=O)[O-])cn3)CCC2)cc1 1791312181 ARSJZZKDRDIEMX-QGZVFWFLSA-N 441.532 4.142 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1cc([C@@H]2CCCCN2C(=O)CC2CCCC2)[nH]n1 1814966702 OHBAHPGACROBNW-LNENJAERSA-N 441.488 4.197 5 20 IIBD CCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2cc([N+](=O)[O-])ccc2F)n[nH]1 1815645748 SZGCDNLROISKGX-GOSISDBHSA-N 445.495 4.128 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)[nH]n1)c1ccsc1 1816358789 ZLHWJYFOKAXVLE-KRWDZBQOSA-N 443.460 4.138 5 20 IIBD CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])n[nH]2)CCC1 1823500544 DPEKYQUTLQTFAK-GNISGLHKSA-N 437.500 4.214 5 20 IIBD Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)C3CCCC3)CC2)cc1[N+](=O)[O-] 1826255076 VBOKWGWFZADYOQ-QFIPXVFZSA-N 441.572 4.256 5 20 IIBD O=C(c1ccc(Cl)cc1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 1829834454 NCFOQFKUIGKHMZ-IBGZPJMESA-N 444.919 4.123 5 20 IIBD CC(C)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 1831378444 YMBWSGDZGOGALS-QFIPXVFZSA-N 429.561 4.193 5 20 IIBD C[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)NCc1ccc(Cl)cc1 10723283 ZRFPGRKYAVYIFS-INIZCTEOSA-N 448.906 4.056 5 20 IIBD O=C(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1ccc(Cl)cc1Cl 10734105 SAXRFSXHGQUOND-UHFFFAOYSA-N 438.267 4.297 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1oc2ccccc2c1COC(C)C 10915158 BKFXCXBGIUQTLN-UHFFFAOYSA-N 426.425 4.370 5 20 IIBD C[C@H](OC(=O)CCCc1cccs1)C(=O)/N=c1/[nH]c(-c2cccc([N+](=O)[O-])c2)cs1 11317849 FAQITXIIQFQWCX-ZDUSSCGKSA-N 445.522 4.095 5 20 IIBD C[C@H](OC(=O)/C=C/c1ccccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 11442424 PMMBBHJIBLKCLA-LAHYYIKRSA-N 426.322 4.336 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc2)c([N+](=O)[O-])c1 11466261 XIVIWYQTNMERRV-JOCHJYFZSA-N 449.419 4.277 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)OCc2nc(N)c3c4c(sc3n2)CCCC4)c1 16197300 KLGIOHQFFVTBJL-UHFFFAOYSA-N 430.511 4.139 5 20 IIBD C[C@H](OC(=O)/C=C/c1ccc(O)cc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 28627937 ZEOYCCQWWHSCBE-RSPDNQDQSA-N 439.449 4.008 5 20 IIBD CNc1ccc(C(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)c(C)s2)cc1[N+](=O)[O-] 30157581 COBHJRAOPRQNBA-UHFFFAOYSA-N 445.526 4.018 5 20 IIBD COC(=O)Cc1csc(NC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)n1 31765037 XHZBNAXXVOLBOZ-UHFFFAOYSA-N 443.506 4.479 5 20 IIBD Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 32001015 OMXPZDGVDYWOKL-UHFFFAOYSA-N 444.944 4.273 5 20 IIBD C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 32249569 WLAXCGQSZAGKIR-CALCHBBNSA-N 447.495 4.151 5 20 IIBD Cc1c(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 33524844 PTRYCCFYFGOEEU-UHFFFAOYSA-N 433.833 4.159 5 20 IIBD CN(C(=O)c1ccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1)C1CCCCC1 59851701 NEZLCQWIEAFDKR-UHFFFAOYSA-N 447.495 4.438 5 20 IIBD COc1ccc(C(=O)C2CCN(c3cc(C)nc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)cc1 60858663 BSYCBEASUHEBSI-UHFFFAOYSA-N 432.480 4.468 5 20 IIBD Cc1n[nH]c(-c2ccc(NC(=O)CSc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)n1 65187153 VLKDBNMZVCSDMP-UHFFFAOYSA-N 437.403 4.438 5 20 IIBD CCOc1ccc(C(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)cc1[N+](=O)[O-] 66031183 ZAYPDPLRFNZVKL-UHFFFAOYSA-N 425.485 4.442 5 20 IIBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 69726044 AJSXSOGQXIKRPC-VFNWGFHPSA-N 437.883 4.272 5 20 IIBD O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc12 78777361 COHCFKYSYWQTJL-UHFFFAOYSA-N 440.868 4.389 5 20 IIBD COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 110855023 UCHAWJYJGUXIHJ-OAHLLOKOSA-N 430.404 4.148 5 20 IIBD COc1cc(Br)c(CNc2ncc([N+](=O)[O-])cc2Br)cc1OC 301577101 ZDCXXAREDITQQH-UHFFFAOYSA-N 447.083 4.144 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCCc3ccncc3C)c([N+](=O)[O-])c2)c(C)c1 301880019 ZMNWTJRANHOBJQ-UHFFFAOYSA-N 440.525 4.370 5 20 IIBD CCn1cc(CC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c2ccccc21 303062909 VFBJWLBWBUUIFG-HXUWFJFHSA-N 437.496 4.311 5 20 IIBD Cc1cc(C)n(C[C@@H](NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C(=O)O)n1 426722928 JKVFZXWQIFPTNU-QGZVFWFLSA-N 444.875 4.097 5 20 IIBD COc1cc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])ccc1Br 430599117 VBEAYVBIXWKVFU-UHFFFAOYSA-N 430.052 4.381 5 20 IIBD C[C@H]1Sc2ccccc2N(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)[C@@H]1C 430666922 ZSYFZIXQELAMES-ZIAGYGMSSA-N 427.482 4.199 5 20 IIBD O=[N+]([O-])c1cccc2c(NCc3ccc(Br)cc3N3CCOCC3)ccnc12 432343735 ZTPWQFNVFARVKK-UHFFFAOYSA-N 443.301 4.354 5 20 IIBD O=C(Nc1cc(F)c(F)cc1Br)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 435270232 RSZKRUQIDSQKOA-UHFFFAOYSA-N 426.217 4.488 5 20 IIBD COc1ccc(CN2CCCN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CC2)cc1 435939123 UDGZKNMMDFMWRL-UHFFFAOYSA-N 441.531 4.038 5 20 IIBD CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)c1cc([N+](=O)[O-])ccc1O 436956174 PLTIYPMDFKUGLD-UHFFFAOYSA-N 434.477 4.487 5 20 IIBD O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 437069360 QCMHXIUUESYDER-UHFFFAOYSA-N 441.793 4.397 5 20 IIBD CCN(CC)C(=O)COc1cccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 437165667 VSFHNFCVUMFZNU-UHFFFAOYSA-N 439.390 4.113 5 20 IIBD O=C(N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 437488138 CGTUDTOBSBGIDF-KOMQPUFPSA-N 430.386 4.475 5 20 IIBD O=C(Nc1ccc(Br)cc1Cl)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 440703184 HXJIQBNWNUQUEC-LLVKDONJSA-N 440.685 4.124 5 20 IIBD COC(=O)CCCOc1ccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 444006743 CPWCKRAGXDMTIG-UHFFFAOYSA-N 430.460 4.266 5 20 IIBD COc1cccc([C@@H]2CN(C(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)CCO2)c1 444254850 VOIXLFQYQZNICB-NRFANRHFSA-N 432.451 4.043 5 20 IIBD O=C(Cc1noc(-c2n[nH]c3ccc([N+](=O)[O-])cc23)n1)Nc1cc(Cl)ccc1Cl 445343467 MMUMKJIFZWCYQU-UHFFFAOYSA-N 433.211 4.009 5 20 IIBD COc1ccc(NC(=O)Cc2noc([C@@H](C)c3ccc([N+](=O)[O-])cc3F)n2)cc1Cl 445380576 LNCCHCFWFUQGIX-JTQLQIEISA-N 434.811 4.112 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCCc1ccc(Br)s1 445526716 ABYXHVIXGZIEIX-UHFFFAOYSA-N 448.136 4.083 5 20 IIBD COc1cc(Cc2noc(CCc3cccc(Br)c3)n2)c([N+](=O)[O-])c(OC)c1 445823589 HBVORKBBTKSXGT-UHFFFAOYSA-N 448.273 4.134 5 20 IIBD CN(Cc1csc(Br)c1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br 445925826 VTCQPGUTVCLKQT-UHFFFAOYSA-N 448.136 4.382 5 20 IIBD Cc1c(C(=O)N[C@H](c2ccccc2)c2cccc(F)c2)nnn1-c1cccc([N+](=O)[O-])c1 446634356 LMAXQAZFULGQKK-JOCHJYFZSA-N 431.427 4.142 5 20 IIBD O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N1CCc2ccc([N+](=O)[O-])cc2C1 446876272 DXQMGPXOAKCKNV-UHFFFAOYSA-N 428.798 4.049 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 462403342 QYPJRRYXQWZHTQ-WMZHIEFXSA-N 425.529 4.125 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1cc2c(cc1OC(F)F)OCO2 462599345 BAVYJDMZMAIQLK-CQSZACIVSA-N 436.411 4.152 5 20 IIBD Cc1nc(C(C)C)sc1[C@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 464194063 KGMXSDKJMLRBKX-ZDUSSCGKSA-N 434.543 4.413 5 20 IIBD COc1cc(CN2CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)c([N+](=O)[O-])cc1F 464686024 AIYWCNSHUXXIDE-UHFFFAOYSA-N 436.871 4.054 5 20 IIBD Cc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 467753086 IPVDPRKWJWTMPZ-UHFFFAOYSA-N 439.209 4.485 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCc2ccc(CCN(C)C)cc2)cc1[N+](=O)[O-])c1ccccn1 469490241 PXYJRDNQZCAGNN-GOSISDBHSA-N 447.539 4.197 5 20 IIBD COc1ccc2c(c1)CN(C(=O)CCn1cc([N+](=O)[O-])nc1C)[C@H](C1CCCCC1)C2 470182602 MFAZXAXXTAWOKQ-NRFANRHFSA-N 426.517 4.032 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(C(=O)N2CCC[C@H](C)C2)cc1C 470871498 FBLFICUWWBSNOS-HNNXBMFYSA-N 425.485 4.426 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@H](c1ccc(F)cc1)c1ccccc1Cl 472571371 STFPKLODPDYSNP-LJQANCHMSA-N 445.809 4.371 5 20 IIBD CCN(C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H](c1ccccc1)c1ccc(F)cc1 472684338 IMCAKVUADPEIMO-NRFANRHFSA-N 439.418 4.450 5 20 IIBD O=C(Nc1ccc(F)cc1)c1ccc(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 474196669 BOAFOQUQGHRJEN-UHFFFAOYSA-N 448.454 4.254 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(F)(F)F 477116485 XLMHLZBNAUQWFN-GOSISDBHSA-N 434.374 4.136 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 479540008 IRQISRXLRJOEAI-OAHLLOKOSA-N 425.514 4.415 5 20 IIBD O=[N+]([O-])c1cccc(OCCN[C@H](CO)c2ccc(Br)cc2C(F)(F)F)c1 483275628 ZZZYSIHZANPBHM-MRXNPFEDSA-N 449.223 4.078 5 20 IIBD Cc1c(CNC(=O)Nc2cccc(NC(=O)CCN3CCCCC3)c2)cccc1[N+](=O)[O-] 484123133 MZSUOIBRVFVNPK-UHFFFAOYSA-N 439.516 4.039 5 20 IIBD Cc1ccc(NC(=O)C2CCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)CC2)nc1 485413886 YXJPHJGVUZXUKZ-UHFFFAOYSA-N 435.459 4.354 5 20 IIBD C[C@@H](c1ccccc1)N(C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCC1 485464773 IRPBDHAKOJVQFF-HNNXBMFYSA-N 427.526 4.318 5 20 IIBD O=c1oc2cc(Br)c(F)cc2n1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 485488379 IMWPPGKHIGIAIT-UHFFFAOYSA-N 434.177 4.108 5 20 IIBD CSc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c1[N+](=O)[O-] 485755105 PRPTZNQSPILEFT-UHFFFAOYSA-N 429.479 4.464 5 20 IIBD O=C(Cc1ccc(F)cc1Br)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 486428506 KZUNIPWFBFXCAI-UHFFFAOYSA-N 437.265 4.109 5 20 IIBD Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)c12 486691375 PMXNUEAMAPNRQB-UHFFFAOYSA-N 433.390 4.011 5 20 IIBD COc1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c(I)c1 487613105 CDCDFVPQPNICOC-UHFFFAOYSA-N 440.237 4.124 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCN(C3CCOCC3)C[C@@H]2C)cc1[N+](=O)[O-] 488328631 NUWUUJYENYGLAU-KRWDZBQOSA-N 435.590 4.058 5 20 IIBD O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 489297519 SWKJMXFDJXNUPL-UHFFFAOYSA-N 447.282 4.335 5 20 IIBD C[C@@H](Sc1nnc(-c2ccco2)n1Cc1ccco1)C(=O)Nc1ccccc1[N+](=O)[O-] 489430660 RORDGNZMJWUBKU-CYBMUJFWSA-N 439.453 4.207 5 20 IIBD Cc1ccc2nc([C@@H]3CCCN(C(=O)c4cc([N+](=O)[O-])ccc4OC(F)F)C3)[nH]c2c1 489625279 QGCHGYJITYTAGQ-CYBMUJFWSA-N 430.411 4.401 5 20 IIBD O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCc1ccccc1-c1ccc(Cl)cc1Cl 490538490 DPTVAGKHUPUKSR-UHFFFAOYSA-N 432.263 4.047 5 20 IIBD CCOc1cc(CSc2nnc(Cc3ccc(OC)c(OC)c3)o2)ccc1[N+](=O)[O-] 492291788 IKBTWOIZPXQGDR-UHFFFAOYSA-N 431.470 4.277 5 20 IIBD Cc1ccc([C@H](C)NC(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)cc1[N+](=O)[O-] 495242994 KMLJCTVIADIQKQ-LBPRGKRZSA-N 434.378 4.385 5 20 IIBD COc1ccc(C(=O)[C@H](C)Sc2nc3cc4ccccc4cc3c(=O)n2C)c(OC)c1 495394213 CTIQDQAXZARKBE-AWEZNQCLSA-N 434.517 4.467 5 20 IIBD O=C(CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1cc(Cl)ccc1Cl 497483090 QWHISRXTLGZQGG-UHFFFAOYSA-N 445.690 4.035 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 502404853 IAWSDHRWAIWPGO-SWLSCSKDSA-N 438.839 4.351 5 20 IIBD O=C(N[C@H](COc1ccccc1)c1ccccc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 502406155 OGOXOWFLDZQOPJ-HSZRJFAPSA-N 428.448 4.331 5 20 IIBD COCCSc1ccc([C@H](C)NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1 504733130 UIMMIBKVUKMEMT-HNNXBMFYSA-N 426.498 4.010 5 20 IIBD CC(C)Oc1cc(CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C2CC2)ccn1 504887433 CGVYGHADLXZWQZ-UHFFFAOYSA-N 438.528 4.185 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1OCCC(F)(F)F 505840842 SXBWSNOMBAJOOC-UHFFFAOYSA-N 430.358 4.299 5 20 IIBD C[C@H]1CCCCN1C[C@@H]1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 505914386 YREKQZMFTGRKNC-IRXDYDNUSA-N 428.558 4.445 5 20 IIBD CCOc1ccc(C2=CCN(C(=O)c3cc(OCC)c(OC)cc3[N+](=O)[O-])CC2)cc1 509621652 ABNHNUDWYGAGPM-UHFFFAOYSA-N 426.469 4.330 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C1CCCC1 513049332 TXOJFPMIGXYBGS-MRXNPFEDSA-N 428.270 4.303 5 20 IIBD COc1cc(CCNC(=O)NCCc2c(Cl)cccc2Cl)c([N+](=O)[O-])cc1OC 514029563 STEMDJKAVUVHEZ-UHFFFAOYSA-N 442.299 4.003 5 20 IIBD O=C(c1ccc(Cl)c(I)c1)N1CCc2ccc([N+](=O)[O-])cc21 515086431 WKRUSARPGMBGEB-UHFFFAOYSA-N 428.613 4.056 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(S(=O)(=O)NC(C)C)c2)no1 516213259 MBQGWVPKBGJGAW-MRXNPFEDSA-N 444.513 4.068 5 20 IIBD O=C([C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1Cc2ccccc2-c2ccccc2C1 520340958 FWCVELQWVNCNIT-HXUWFJFHSA-N 447.516 4.470 5 20 IIBD O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 521084043 LPEKKNMSWHMJAI-UHFFFAOYSA-N 443.916 4.044 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@H](c2ccc(Br)cc2)C1 522746405 XQXPKJTZPABXMN-KRWDZBQOSA-N 439.693 4.153 5 20 IIBD O=C(Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1)c1cc(-c2cccnc2)on1 522816028 LCVNKIYDYSMDLU-UHFFFAOYSA-N 442.391 4.343 5 20 IIBD Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 525466310 SMFGECKLPQFOQU-UHFFFAOYSA-N 436.447 4.166 5 20 IIBD O=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccc(Br)cc1[N+](=O)[O-] 531423659 YQJUFXPRHQQPJU-UHFFFAOYSA-N 438.241 4.319 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N(C)[C@@H](CCO)c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 532022164 VPPWZWUNOCMTMM-VGSWGCGISA-N 434.496 4.359 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)[S@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1C 534060652 JEUBZIZTFGNXLE-DHMKHTPVSA-N 427.482 4.143 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N[C@@H]1C=C[C@H](CO)C1 534166697 JCKWUCOIOWGEAR-XWGCMMAMSA-N 435.505 4.188 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2cnco2)c1 534966730 IRRYRVPUXHUCMN-UHFFFAOYSA-N 427.438 4.157 5 20 IIBD CCC[C@H]1CN(C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CCO1 536293380 JNPSBRJFLHLXQA-INIZCTEOSA-N 428.510 4.189 5 20 IIBD O=C(NC1CC1)c1ccc(CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C2CC2)cc1 536636287 XJUFIMSVOIFDOF-UHFFFAOYSA-N 431.439 4.253 5 20 IIBD O=C(Nc1ccc(CN2CCCCCC2)cc1)c1cccc([N+](=O)[O-])c1N1CCOCC1 537401336 YOEMGJXPJQBGCT-UHFFFAOYSA-N 438.528 4.060 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)cc1[N+](=O)[O-] 539441014 RPSYGLZJZXQWOS-LLVKDONJSA-N 427.429 4.127 5 20 IIBD COc1ccc(Cl)cc1NC(=O)CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 539511075 CBPVUEYDVITGBL-UHFFFAOYSA-N 446.916 4.499 5 20 IIBD CCOc1cccc2cc([C@@H](C)NC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)oc12 539550574 HMLRJXRRCKDRGK-OAHLLOKOSA-N 439.468 4.067 5 20 IIBD Cc1ccnc(Oc2cc(NC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)ccc2C)c1 539558835 NCXFBVYIKDFZAD-UHFFFAOYSA-N 448.479 4.488 5 20 IIBD O=C(CN[C@@H](C[C@H]1CCOC1)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Br 540434421 LFZMHMZZTOWYAP-KUHUBIRLSA-N 448.317 4.053 5 20 IIBD CC(=O)c1cc(Br)cc(F)c1OCC(=O)Nc1ccc([N+](=O)[O-])cc1C 541302489 YCLGVAKSDWIXDU-UHFFFAOYSA-N 425.210 4.025 5 20 IIBD Cc1cc(C(=O)NCC(=O)N2CCc3cc(Cl)c(Cl)cc3[C@H]2C)ccc1[N+](=O)[O-] 542086689 TZYOJMDHDDDJFP-GFCCVEGCSA-N 436.295 4.086 5 20 IIBD CCc1ccc([C@@H](Nc2ccc(N3CC[C@H](N(C)C)C3)cn2)c2ccc([N+](=O)[O-])cc2)o1 542499450 BXKFLGJDKOARBG-RDPSFJRHSA-N 435.528 4.487 5 20 IIBD C[C@@H](C(=O)Nc1ccc(F)cc1I)c1ccc([N+](=O)[O-])cc1F 543480665 KISQOUFSEBVAOZ-MRVPVSSYSA-N 432.164 4.220 5 20 IIBD C[C@@H](C(=O)NCCCOC1CCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F 544505515 VQVXCCNBGFTJAQ-GOSISDBHSA-N 443.519 4.025 5 20 IIBD O=c1c2ccccc2n(Cc2nc(-c3cccc(OCC(F)F)n3)no2)c2ccccc12 546555166 IGZYSNMAUXSDGP-UHFFFAOYSA-N 434.402 4.292 5 20 IIBD COc1ccc2[nH]cc(Cc3nc(Cc4ccc([N+](=O)[O-])cc4Br)no3)c2c1 547156399 OKSQQQNCDUMGMC-UHFFFAOYSA-N 443.257 4.412 5 20 IIBD C[C@@H](CCc1ccccc1[N+](=O)[O-])Nc1cccc(C(=O)N2CCCC[C@H]2CCO)c1 547361278 MDZKEOQQQOHCED-AVRDEDQJSA-N 425.529 4.405 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(Br)o1 550220148 NNAGISQSXSMOED-UHFFFAOYSA-N 432.068 4.293 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(CCc1ccccc1)[C@H]1CCOC1 550271432 RQXSJRJOZVXVGE-INIZCTEOSA-N 433.302 4.140 5 20 IIBD CC(C)(C)[C@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccccc1 551405911 DOCNRXSJSFMAFT-MRXNPFEDSA-N 434.290 4.199 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2 551689532 NMHNEOSGYTUBTD-UHFFFAOYSA-N 435.452 4.476 5 20 IIBD CC(C)[C@@](C)(Cc1ccc(Cl)cc1)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 557902204 UCMMMVSCBNWOLP-HXUWFJFHSA-N 438.933 4.039 5 20 IIBD Cc1nc(C)c([C@H](C)N(C)Cc2cc(I)cc([N+](=O)[O-])c2)s1 562029929 RZALPKHCFUZBOA-JTQLQIEISA-N 431.299 4.466 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC2(CCN(Cc3ccccc3)CC2)C1 562118395 LSLYEIKPDWHBQT-UHFFFAOYSA-N 427.932 4.305 5 20 IIBD Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2c1c([N+](=O)[O-])cnc2ccc(Br)cc12 564373284 VHFQZXQZXAAONF-CABCVRRESA-N 440.301 4.464 5 20 IIBD CC1(C)CN(C(=O)C2CN(Cc3csc([N+](=O)[O-])c3)C2)c2ccc(N3CCCC3)cc21 566514070 GRFZRMPVAYLXRX-UHFFFAOYSA-N 440.569 4.013 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(Cl)c2OCC(F)F)c2ncccc12 573947666 FIDFDELQEJRQTD-UHFFFAOYSA-N 443.815 4.241 5 20 IIBD COc1cc(Cc2noc(-c3ccc(Cl)c4ncccc34)n2)c([N+](=O)[O-])c(OC)c1 582268002 VARBFXJWWWBGIM-UHFFFAOYSA-N 426.816 4.454 5 20 IIBD O=C(Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 589483390 IXHFPNIQJXFWTB-UHFFFAOYSA-N 442.357 4.237 5 20 IIBD CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cccs1)[C@H]1CCCc2c1cnn2C 589663049 CWOHMEGKHMZEPT-IBGZPJMESA-N 449.540 4.210 5 20 IIBD CN1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc([N+](=O)[O-])cc2)CCC3)CC1 590779289 POVTWVBCDZRUIK-ZPHPHTNESA-N 442.519 4.408 5 20 IIBD O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C\c1ccc(OCc2ccncc2)cc1 603748149 CHZAZBSTVSNAKX-QGOAFFKASA-N 426.432 4.223 5 20 IIBD C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1cccc(NC(=O)Cc2ccccc2F)c1 603764560 MLEKSJJPEFYESC-ZDUSSCGKSA-N 427.457 4.468 5 20 IIBD CC(C)(C)C(=O)N1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 603897131 DUCMDBXXVAMTMM-UHFFFAOYSA-N 425.485 4.154 5 20 IIBD CCN(CC)[C@H](CNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1Cl 604105503 QEFOPLONIVMOSZ-LJQANCHMSA-N 434.924 4.139 5 20 IIBD Cn1cc(CNC[C@H]2CCN(c3ccc(Cl)cc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 608836624 ZIZKGPZHABPDSG-MRXNPFEDSA-N 425.920 4.265 5 20 IIBD Cc1nc(CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c2ccc(F)cc2)cs1 608938984 ORAZXVWZMOABPP-UHFFFAOYSA-N 429.429 4.117 5 20 IIBD C[C@H]1CCCN(c2ccc(C(=O)N3CCO[C@@H](c4ccc(F)c(F)c4)C3)cc2[N+](=O)[O-])C1 608964937 OQQTYTCTRCXSPH-OYHNWAKOSA-N 445.466 4.323 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CCC[C@@H](c3ccccc3)CC2)ccc1[N+](=O)[O-] 608968186 OSYMRMKFTJLPGL-NFBKMPQASA-N 435.524 4.304 5 20 IIBD CC[C@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)c1nnc2n1CCCCC2 609357699 WTADPZRRQLRPHH-SFHVURJKSA-N 440.548 4.030 5 20 IIBD C[C@H](NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)c1nnnn1-c1ccccc1 609677594 NFZBCXZVJPKEPZ-KRWDZBQOSA-N 429.484 4.189 5 20 IIBD Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl 609784320 NXMMTRZTEJKHOJ-UHFFFAOYSA-N 429.782 4.030 5 20 IIBD COC(=O)[C@@H](c1ccccc1)N(C)C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 609861546 DKMBYOLPLLXCGB-OPAMFIHVSA-N 448.479 4.149 5 20 IIBD COc1cc(OC)c(C2CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)CC2)c(OC)c1 610060018 PPVHSKMKFBJTSW-UHFFFAOYSA-N 442.512 4.304 5 20 IIBD CCCCS(=O)(=O)Nc1ccc(NCc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 610911520 VUIZHVAHOUQXNG-UHFFFAOYSA-N 429.445 4.350 5 20 IIBD CN(Cc1ccsc1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 610937061 KIGDMWPZRHRYOW-UHFFFAOYSA-N 433.536 4.466 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)c1 619583421 FGRVCNBCNYSZQZ-UHFFFAOYSA-N 436.468 4.128 5 20 IIBD C[C@@H]1CN(c2ccccc2F)CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 682802429 SCQHVJXSZRGLAH-GOSISDBHSA-N 429.495 4.031 5 20 IIBD Cc1cccn2cc(COC(=O)c3ccc(N[C@H](C)c4ccccn4)c([N+](=O)[O-])c3)nc12 728332053 NUOSBSYKBRRVIJ-MRXNPFEDSA-N 431.452 4.476 5 20 IIBD C[C@H](OC(=O)c1occc1CN1c2ccccc2C[C@@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] 728687649 KJAFNCSOGBLMIH-HOTGVXAUSA-N 449.463 4.323 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CCCCC1 732020206 YCWFUVMSQNSQHW-QGZVFWFLSA-N 425.913 4.452 5 20 IIBD COc1cc(COC(=O)c2ccc3nc(C(F)F)[nH]c3c2)c([N+](=O)[O-])cc1OC(F)F 733537837 LIQRXQWTQAOEMU-UHFFFAOYSA-N 443.309 4.376 5 20 IIBD Cc1c(C(=O)Nc2ccc(CNC(=O)OC(C)C)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 735023345 BNNMNBINGDLSBA-UHFFFAOYSA-N 430.417 4.007 5 20 IIBD O=Cc1ccc(OCC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c([N+](=O)[O-])c1 735273299 MMKMOSJKGQULJD-UHFFFAOYSA-N 437.364 4.125 5 20 IIBD CCN(Cc1cccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1)C(=O)C(F)(F)F 736000398 MXCHAFHUXMGXLZ-UHFFFAOYSA-N 429.782 4.411 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccccc2COc2cccc(C=O)c2)cc([N+](=O)[O-])c1 736195617 PKYPRFYKXLWDBZ-UHFFFAOYSA-N 434.404 4.025 5 20 IIBD O=C(COC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1cccc(F)c1 736865295 YWTVBXLEVRWBMA-UHFFFAOYSA-N 438.198 4.266 5 20 IIBD O=C([C@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1)N1CCc2c1cccc2[N+](=O)[O-] 737581834 KBGUEXXAMMQNRO-VZOQVYJPSA-N 439.899 4.232 5 20 IIBD CCc1ccc([C@H]2CCCCCN2C(=O)COc2cc([N+](=O)[O-])c(C=O)cc2OC)o1 739775742 ZVUJPWAFBLJSLP-QGZVFWFLSA-N 430.457 4.094 5 20 IIBD Cc1ccccc1CN(Cc1ccccc1)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O 742150793 WHEWATCGONHRQB-UHFFFAOYSA-N 444.491 4.332 5 20 IIBD COc1ccccc1O[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 742784778 SOMSUKYXLXKUQF-KRWDZBQOSA-N 427.501 4.037 5 20 IIBD Cc1ccc([C@H](O)CSc2nc3ccccc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)cc1 743253221 LEKHDKLQHPIVKD-OAQYLSRUSA-N 433.489 4.428 5 20 IIBD O=C([C@@H]1C[C@]12CCc1ccccc12)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 743333304 NIQDHTVELHCEEF-UGKGYDQZSA-N 445.441 4.166 5 20 IIBD CCO[C@H](C)c1ncc(C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)s1 744354011 NQNPGOBKDSIXAD-CYBMUJFWSA-N 445.501 4.250 5 20 IIBD CCOCCC(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 744371601 CJGSKOHABYWQBH-UHFFFAOYSA-N 427.240 4.486 5 20 IIBD C[C@@H](CC(=O)c1ccccc1F)C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 745486252 IAQJMDKSIWQENJ-NWDGAFQWSA-N 436.823 4.167 5 20 IIBD O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 745746255 OKWTZTSNHRBPLY-HNNXBMFYSA-N 438.223 4.119 5 20 IIBD O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN(Cc1ccc(F)cc1F)C1CCCC1 747075505 BEFLWXKGKVFBGT-UHFFFAOYSA-N 440.450 4.499 5 20 IIBD COC(=O)c1cc(S(=O)(=O)Oc2cc([N+](=O)[O-])ccc2Cl)c(Cl)cc1Cl 747279818 MMFUWVYQYRLEJN-UHFFFAOYSA-N 440.644 4.109 5 20 IIBD Cc1csc(SCc2c(C(=O)OCCn3cc([N+](=O)[O-])cn3)oc3ccccc23)n1 748108766 KUXCPYVRKDUUIV-UHFFFAOYSA-N 444.494 4.452 5 20 IIBD CN(C)[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1cccs1 749411467 YEFIFWGKIWPLRO-GFCCVEGCSA-N 432.727 4.105 5 20 IIBD O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCO[C@H](c2ccccc2Br)C1 749937848 GNKGMKQMBKGOME-HNNXBMFYSA-N 425.666 4.224 5 20 IIBD C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1 750178962 XWCUZSRUKVKEHX-CYBMUJFWSA-N 448.882 4.453 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@@H](c1cccc(Br)c1)C(F)(F)F 750224058 SJTNMPPBFBXAEC-AWEZNQCLSA-N 436.184 4.099 5 20 IIBD O=C1CCCN1CC[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc21 751275222 PPHQXGJMUMKLQI-AWEZNQCLSA-N 428.876 4.396 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1nc(Cc2ccccc2)no1 752427281 AJRMZDVEVOKIGF-MRXNPFEDSA-N 435.484 4.050 5 20 IIBD COc1cc(C)cnc1C(=O)O[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 753552981 FHCOGERULGLAEV-NRFANRHFSA-N 435.436 4.152 5 20 IIBD CCc1ccc([C@@H](NC[C@H](O)c2cc(OC)cc(OC)c2)c2ccc([N+](=O)[O-])cc2)o1 753672542 WSVJUJRATLVWDF-GMAHTHKFSA-N 426.469 4.180 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(CN2CCN(Cc3ccc(Cl)cc3)CC2)o1 753876407 UWRZYPJAQPNPGB-UHFFFAOYSA-N 448.310 4.269 5 20 IIBD C[C@H](OC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccc(OC(F)(F)F)cc1 755060732 FQOCHGMMEPFVHN-MNOVXSKESA-N 444.337 4.306 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@H](C)c2ccc([S@@](C)=O)cc2)CC1 756028152 BJXFNEQOCWLQBX-XHDOVSQSSA-N 429.542 4.060 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 758802025 ZWBUYCUFJIGHAM-UXLLHSPISA-N 445.520 4.331 5 20 IIBD Cc1c(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cnc(Cl)c1Br 759276230 MWGRYKIDBOXVDI-UHFFFAOYSA-N 436.653 4.152 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)cc1[N+](=O)[O-] 760836394 VBHVVJFVNWMIPS-LJQANCHMSA-N 426.816 4.379 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCCC2)cc1 762438370 NHTVJWOQQRFNKC-UHFFFAOYSA-N 429.498 4.103 5 20 IIBD C[C@@H](C(=O)OCc1nnc(-c2ccc(Br)cc2)o1)c1cccc([N+](=O)[O-])c1 763420366 NNPXBTFPWAHECZ-LLVKDONJSA-N 432.230 4.254 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(=O)Nc1ccc(N2CCCCC2)cc1 763721252 RSQPYZDAIOPFOU-AWEZNQCLSA-N 431.876 4.423 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1ccc(N2CCCC2)cc1 763807867 WSJXHVFSTAKPOJ-UHFFFAOYSA-N 429.498 4.103 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(-c3nc(CNC(=O)OC(C)(C)C)no3)cc2[N+](=O)[O-])C1 766932429 KZLLWFCPSICHBW-KBPBESRZSA-N 431.493 4.152 5 20 IIBD Cc1cn(-c2ccccc2Cl)nc1C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 767066117 UIEXMMFLHOVXKS-UHFFFAOYSA-N 439.815 4.149 5 20 IIBD Cc1c(O)nc(S[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nc1-c1ccccc1 767439549 PRGXYYJWVOFCJF-GFCCVEGCSA-N 428.445 4.324 5 20 IIBD Cc1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c(Br)n1 771442810 RFTUIPAIORVCBP-UHFFFAOYSA-N 434.168 4.254 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3ccc(-n4ccnc4)cc3)CC2)ccc1[N+](=O)[O-] 776093152 ACOTZJQHJQEPBE-UHFFFAOYSA-N 436.468 4.005 5 20 IIBD O=C(OCc1nc(-c2cc(F)c(F)c(F)c2)no1)c1cc([N+](=O)[O-])ccc1OC(F)F 778888136 RRNQBOLPYGKIEK-UHFFFAOYSA-N 445.256 4.021 5 20 IIBD O=[N+]([O-])c1ccc(I)c(OCc2ncc(-c3cccs3)o2)c1 780353046 BJXGMPGOZGZNSC-UHFFFAOYSA-N 428.207 4.495 5 20 IIBD C[C@H]1CCc2ccccc2N1C(=O)COC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 781259595 NVJWLPATGXKVSR-INIZCTEOSA-N 426.472 4.206 5 20 IIBD O=C(Nc1ccccc1NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)c1cccs1 781637694 CBDNMVIBLRZPOA-GOSISDBHSA-N 436.449 4.040 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)O[C@H](c2ccncc2)c2cccc(OC)c2)cc1OC 782456379 MWRAYUXGITWAPN-JOCHJYFZSA-N 438.436 4.352 5 20 IIBD O=C(CCN1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1)Nc1cc([N+](=O)[O-])ccc1F 782512815 XCEPANVQXIXLDG-WMZHIEFXSA-N 440.519 4.049 5 20 IIBD CCOc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 783330732 HLFODWNJCOAXQF-KRWDZBQOSA-N 433.892 4.489 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N(CCc1ccccc1F)C1CCCC1 783403281 ZBWDMIOYGOENLB-UHFFFAOYSA-N 433.867 4.340 5 20 IIBD Cc1ccccc1CN(Cc1cccnc1)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 783498916 UAUQKYXUSJVMFJ-UHFFFAOYSA-N 438.871 4.119 5 20 IIBD Cc1cc(C)cc([C@@H](C)NC(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2Br)c1 784702178 LXAGBCQHYNZASZ-CYBMUJFWSA-N 434.290 4.098 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)OCc3nnc(-c4ccco4)o3)cc2[N+](=O)[O-])C1 787428022 RQNMWKGKUYQLMO-KBPBESRZSA-N 426.429 4.077 5 20 IIBD CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCc1ccc(Cl)nc1Cl 788099424 MMXPDNHLTCODGD-UHFFFAOYSA-N 437.239 4.238 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 790272313 FAWNWPHQOZJPHS-INIZCTEOSA-N 442.802 4.214 5 20 IIBD O=C(c1cnc(-c2ccco2)s1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791172812 PQAJITAEOVGWTA-UHFFFAOYSA-N 434.271 4.272 5 20 IIBD Cc1cc([C@H](OC(=O)Cn2cc([N+](=O)[O-])nc2C)C(F)(F)F)ccc1Br 792137375 LTCUQXXUPGKIFP-AWEZNQCLSA-N 436.184 4.017 5 20 IIBD Cc1nn(CN2C[C@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)c2ncc([N+](=O)[O-])cc12 793709165 ZXBSJDKWBUEEHF-KPZWWZAWSA-N 435.406 4.086 5 20 IIBD COc1ccc(-c2noc(CN(C)c3cc(Br)ccc3[N+](=O)[O-])n2)cc1OC 794666915 YPVWLPBSOWQYDS-UHFFFAOYSA-N 449.261 4.061 5 20 IIBD CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@H](c2ccncc2)C1 800335598 PGZDSMNBLPDNNX-SFHVURJKSA-N 446.891 4.077 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 800596063 PYYNUEKKZATQGG-SFHVURJKSA-N 431.420 4.087 5 20 IIBD CC(C)c1ccc(-n2cc(O)c(C(=O)OCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)n2)cc1 801412843 UQEZGOQUUVGANT-UHFFFAOYSA-N 449.423 4.017 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2c2nc(-c3ccc(-c4cc[nH]n4)cc3)no2)ccc1[N+](=O)[O-] 809294958 CQHCSZFXNICAGO-HXUWFJFHSA-N 444.451 4.321 5 20 IIBD COc1cc2c(cc1OC)CN(C(=O)CCCNc1cc(C)c([N+](=O)[O-])cc1Cl)CC2 811804524 RAQIOKNJIKOTIA-UHFFFAOYSA-N 447.919 4.351 5 20 IIBD C[C@@H](OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(c1nccs1)C1CCCCC1 812532047 FQCWCUCVWSIJJR-SAAWKEMMSA-N 429.498 4.362 5 20 IIBD COC(=O)CCSc1ncccc1NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813162081 CVPCPAGYWIDAIH-UHFFFAOYSA-N 430.269 4.204 5 20 IIBD C[C@H](NC1(Cc2ccc(F)cc2)CCOCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 815131716 GKUQRIRIGUKRKL-AWEZNQCLSA-N 435.883 4.096 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3ccc4c(c3)CCCC4=O)CC2)ccc1[N+](=O)[O-] 815960606 NBYBOBVNEZUILO-UHFFFAOYSA-N 438.480 4.338 5 20 IIBD COc1ccccc1C(=O)Nc1ccc(OC(=O)CCNc2ccccc2[N+](=O)[O-])cc1 818827408 JLQZEYXHTOVMDK-UHFFFAOYSA-N 435.436 4.263 5 20 IIBD Cc1nc(-c2cccc(NS(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)c2)oc1C 821156955 BVPZLCMMZHUORT-UHFFFAOYSA-N 425.825 4.460 5 20 IIBD O=C(Nc1ccccc1N1CCc2ccccc21)c1cc([N+](=O)[O-])ccc1N1CCOCC1 914682856 MDDVNLZEJDFSJT-UHFFFAOYSA-N 444.491 4.378 5 20 IIBD CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 917904307 AUJPZJKFBOPFSX-UHFFFAOYSA-N 433.711 4.222 5 20 IIBD CCCC(=O)Nc1nc2ccc(NC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)cc2s1 918162504 YMHRCGCXKZRTID-UHFFFAOYSA-N 443.441 4.412 5 20 IIBD CC(C)(C)[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccc(F)cc1 918627116 IVQAUTUZBJZEKL-VLIAUNLRSA-N 431.439 4.130 5 20 IIBD COc1ccc(C[C@@H](C)N(C)C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 1318137772 WNDYVOTXDHZTGJ-CYBMUJFWSA-N 426.391 4.248 5 20 IIBD O=C(Cn1c(COc2ccccc2)nc2ccccc21)N1Cc2ccc([N+](=O)[O-])cc2C1 1329739912 XEJQJNGWLKDNLU-UHFFFAOYSA-N 428.448 4.066 5 20 IIBD COc1cc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc(Cl)c1OC 1341094678 CZAUAKCXTUCASY-UHFFFAOYSA-N 433.873 4.319 5 20 IIBD O=C(Cc1ccsc1)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1 1785747776 KVFUDGLHSCZGMU-UHFFFAOYSA-N 425.466 4.240 5 20 IIBD O=C(Cc1cc([N+](=O)[O-])ccc1F)Nc1ccc(C2(NC(=O)CC3CC3)CCC2)cc1 1786672752 KLPWUWOJYRMPMV-UHFFFAOYSA-N 425.460 4.211 5 20 IIBD C/C=C(\C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3F)cc2)CCC1 1791183553 GDWHONRWYSWQJS-CRKCGEKBSA-N 425.460 4.377 5 20 IIBD O=C(Cc1cc(F)ccc1[N+](=O)[O-])Nc1ccc(C2(NC(=O)[C@@H]3CC3(F)F)CCC2)cc1 1792308888 YJVUNPGWFIDMGE-KRWDZBQOSA-N 447.413 4.066 5 20 IIBD C/C(=C\c1ccc(C)o1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C2 1798532671 XTLQKVVQRXSJBW-OCVFYMLMSA-N 449.507 4.251 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCCC2(CCN(C(=O)C3(F)CCCCC3)CC2)C1 1805684149 FNBLFDNPJORRQX-FNORWQNLSA-N 447.507 4.105 5 20 IIBD CC[C@H](C)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2cc(F)ccc2[N+](=O)[O-])[nH]n1 1815047273 OPJMIDVECMONLH-IFXJQAMLSA-N 445.495 4.128 5 20 IIBD CC(C)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])[nH]n1 1816762498 JMILXMWAWBUWGU-QGZVFWFLSA-N 447.923 4.252 5 20 IIBD O=C(Cc1cc(F)ccc1[N+](=O)[O-])N1CCC([C@H]2CCCCN2C(=O)C2=CCCC2)CC1 1826279034 ALYGZOZSIJWLTI-OAQYLSRUSA-N 443.519 4.006 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccco2)CC1 1830728409 LJETWEVZFWFTDY-LJQANCHMSA-N 443.475 4.182 5 20 IIBD C/C=C/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cc([N+](=O)[O-])ccc2F)CC1 1831359809 FENJKUKRGNEHIV-SMQCQUJFSA-N 443.519 4.028 5 20 IIBD CC(C)CC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1832903335 ZRPLDTSBHHDSDG-ZJVMWOEPSA-N 427.545 4.274 5 20 IIBD COc1c([N+](=O)[O-])cc(NCCCN(C)c2ccccc2)c([N+](=O)[O-])c1Br 14218218 MTGSXZXDKAJZOK-UHFFFAOYSA-N 439.266 4.213 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@H](NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1 15505528 MMUWKSDLVDDNKD-HSZRJFAPSA-N 434.496 4.293 5 20 IIBD COc1ccc(C(=O)N2CCC(C(=O)OCc3cccc([N+](=O)[O-])c3)CC2)c2ccccc12 16913365 AZYCRPBYESOQOL-UHFFFAOYSA-N 448.475 4.352 5 20 IIBD COc1ccc(C(=O)N2CCC[C@H](C(=O)OCc3cccc([N+](=O)[O-])c3)C2)c2ccccc12 16915657 PLUPHDDKGPWCPA-SFHVURJKSA-N 448.475 4.352 5 20 IIBD C[C@@H](OC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)C(=O)NCc1cccs1 18520867 HYJOSBPXLONJPB-CQSZACIVSA-N 425.466 4.262 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2sc(C)nc2-c2ccccc2)c([N+](=O)[O-])c1 18764916 AGLLVZVLDDWHAK-UHFFFAOYSA-N 441.465 4.221 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)OCc1csc(N(C(C)=O)c2ccccc2F)n1 19284989 IQFNSZYQCGZIIJ-UHFFFAOYSA-N 445.428 4.241 5 20 IIBD Cn1c(Sc2nc3ccccn3c2[N+](=O)[O-])nc2scc(-c3cccs3)c2c1=O 29165502 VRZXSDOBOTULMY-UHFFFAOYSA-N 441.519 4.431 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H]3CCC[C@@H](C)C3)cc2)cc1[N+](=O)[O-] 33182336 NCTCXIGNYRDKQB-RDTXWAMCSA-N 431.514 4.013 5 20 IIBD Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)COc2cccc([N+](=O)[O-])c2)n1 58981429 NECIZQWLULADGG-UHFFFAOYSA-N 434.374 4.434 5 20 IIBD O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 61994248 XZLDDZHYIBZWJB-UHFFFAOYSA-N 443.818 4.435 5 20 IIBD COc1cccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)c2c[nH]c3ccccc23)c1OC 68788640 VTSDXWQRTGBLTJ-QGZVFWFLSA-N 435.436 4.248 5 20 IIBD CC1CCN(c2nnc(SCCOc3ccccc3[N+](=O)[O-])n2Cc2ccco2)CC1 71961750 PLHVUJYKJLIMGM-UHFFFAOYSA-N 443.529 4.235 5 20 IIBD Cc1ccccc1-n1nc(C)c(CN(C)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1C 72021543 JOXDXFMXWDQGAM-UHFFFAOYSA-N 444.495 4.164 5 20 IIBD CC(C)[C@@H](c1ccccc1)N(C)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 79035384 UBQNWURECSNVHB-KRWDZBQOSA-N 427.320 4.375 5 20 IIBD CSc1nnc(CCCNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])n1C1CCCC1 97002273 CQMTVLHAFVSEIW-UHFFFAOYSA-N 446.577 4.206 5 20 IIBD COc1ccc([C@@H](Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)C(C)C)cc1 105133540 WCYKOLCROMBTQI-NRFANRHFSA-N 433.530 4.197 5 20 IIBD O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 109277797 KPVWWWVORBYDAM-UHFFFAOYSA-N 442.357 4.237 5 20 IIBD COc1ccc(F)cc1[C@@H](C)NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 117310970 KHVYVIHGOPSPTA-LLVKDONJSA-N 429.370 4.441 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(NCc3ccc(Cn4cnc5ccccc54)cc3)cc2N1 195741611 IHQYOCDGBSWOOA-UHFFFAOYSA-N 427.464 4.490 5 20 IIBD CN(C(=O)c1ccncc1)c1ccc(CNc2ncc([N+](=O)[O-])cc2Br)cc1 301563359 UYTDGQOMLPFSLH-UHFFFAOYSA-N 442.273 4.036 5 20 IIBD Cc1cc(N2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 301810355 ZDNHXUNBDSPXNV-RDJZCZTQSA-N 427.505 4.242 5 20 IIBD CN(C(=O)c1ccncc1)c1ccc(CNc2c(Br)cncc2[N+](=O)[O-])cc1 301870906 HFLIHFIBHWUYGV-UHFFFAOYSA-N 442.273 4.036 5 20 IIBD O=[N+]([O-])c1ccc(N2CC[C@@H](Nc3ccccc3)C2)nc1N1CC[C@@H](Nc2ccccc2)C1 302774720 OHGXWMNKTWIKMS-FGZHOGPDSA-N 444.539 4.371 5 20 IIBD CCCc1[nH]nc(C(=O)NCc2cccc(NC(=O)Nc3cccc(C)c3)c2)c1[N+](=O)[O-] 303384950 OUWLYVPSRDTQJX-UHFFFAOYSA-N 436.472 4.153 5 20 IIBD COc1ccccc1OC[C@H](C)CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 425982573 RNFGJFWEYSYALN-CYBMUJFWSA-N 441.406 4.137 5 20 IIBD NC(=O)N1CCc2ccc(NC(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)cc21 428048096 LEGQXOZDPPAHSM-UHFFFAOYSA-N 434.477 4.440 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](N[C@H]1Cc2cccc(O)c2C1)c1ccccc1 429316886 MOWIAXDFLZPIEE-AOMKIAJQSA-N 437.883 4.391 5 20 IIBD CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 431471020 JRZJGRYAHWHRNB-KRWDZBQOSA-N 446.345 4.342 5 20 IIBD O=C(Nc1nnc([C@@H]2CCCc3ccccc32)s1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 432600451 ZBLCRJOJYDOJJI-QGZVFWFLSA-N 446.492 4.353 5 20 IIBD Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)Cc2nccn2C(F)F)c([N+](=O)[O-])c1 434680662 XAQMBSYUYNQAIX-IBGZPJMESA-N 429.427 4.307 5 20 IIBD COc1ccc(COCc2cccc(NC(=O)C(=O)Nc3cccc([N+](=O)[O-])c3C)c2)cc1 438748250 ANYLVPPEAZEIDN-UHFFFAOYSA-N 449.463 4.206 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC(c2ccccc2Br)CC1 439122088 XJURJBSMWPFRHK-UHFFFAOYSA-N 439.331 4.067 5 20 IIBD Cc1ccc(NC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1NC(=O)C(C)(C)C 439980072 VGUVKJGDQZHEKG-UHFFFAOYSA-N 426.473 4.082 5 20 IIBD Cc1ccnc(Oc2ccc(NC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)cc2)n1 440795646 JLNLHUZVSACGQW-UHFFFAOYSA-N 430.424 4.138 5 20 IIBD CC(=O)c1ccc(OCc2csc(CC(=O)Nc3ccc(C)cc3)n2)c([N+](=O)[O-])c1 440844849 QDPVGLXESIXCRL-UHFFFAOYSA-N 425.466 4.323 5 20 IIBD COc1ccccc1O[C@@H](C)CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444100904 NRHVKOZGFZBEPQ-ZDUSSCGKSA-N 438.430 4.165 5 20 IIBD CC(C)n1cc2c(n1)C[C@@H](NC(=O)c1cc(F)cc3c(=O)c4cc(F)ccc4[nH]c13)CC2 444232704 BSSSELKAFPCGOR-INIZCTEOSA-N 436.462 4.024 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1ccc(-n2ncc3ccccc32)cc1 444951679 BUAQMDSNTJYBHP-UHFFFAOYSA-N 427.424 4.132 5 20 IIBD O=C(Cc1noc(-c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1)Nc1cccc2ncccc12 445304663 TWCZLMUVYJWZRY-UHFFFAOYSA-N 443.341 4.393 5 20 IIBD COc1cc(CCc2nc(-c3ccc([N+](=O)[O-])s3)no2)ccc1OCC(F)(F)F 445470642 JQNMAZRWOKNRPL-UHFFFAOYSA-N 429.376 4.441 5 20 IIBD Cc1nc(COc2ccc(/C=C\c3nc(-c4c([N+](=O)[O-])nc(C)n4C)no3)cc2)cs1 445599923 HOFLJBZCPQMJBV-TWGQIWQCSA-N 438.469 4.201 5 20 IIBD CCc1nnc(-c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Br)cc2)o1 446027492 XZIAULZCBZYUOI-UHFFFAOYSA-N 431.246 4.151 5 20 IIBD Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)c12 446439619 ZCEGQXCOJINSRR-UHFFFAOYSA-N 427.464 4.050 5 20 IIBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N1CCC[C@@H]1c1cccc(Br)c1 446907068 UINIYKSGMUKCHS-QGZVFWFLSA-N 444.289 4.280 5 20 IIBD Cc1noc(-c2ccc(C(F)(F)F)cc2NC(=O)CCNc2ccccc2[N+](=O)[O-])n1 448455190 QSRJSHOGIFFMLL-UHFFFAOYSA-N 435.362 4.413 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-])c1ccccn1 461322208 BXSBQNDBIRRPCN-SSKFGXFMSA-N 436.512 4.337 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(NCCOc3ncc(C(F)(F)F)cc3Cl)cc2N1 462888733 POACSLXFZMTWRP-UHFFFAOYSA-N 430.770 4.038 5 20 IIBD C[C@@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])Oc1ccc(Br)cc1 462943936 OAFPJILMBBOWNU-LBPRGKRZSA-N 434.290 4.129 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1 464723883 OKJRNDHGVILUHF-UHFFFAOYSA-N 439.493 4.235 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccccc1Oc1cccc(F)c1 467875438 PJSPEIANZJNKKY-UHFFFAOYSA-N 443.818 4.435 5 20 IIBD CCOC(=O)c1ccc2c(c1)CCCN2C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 468759941 AKXCPSGIVRQLTO-UHFFFAOYSA-N 437.477 4.488 5 20 IIBD COc1ccc(CSCC(=O)Nc2nnc(-c3cc(F)ccc3C)s2)cc1[N+](=O)[O-] 469879811 JBWNAXMTPKAHGC-UHFFFAOYSA-N 448.501 4.441 5 20 IIBD COC(=O)c1nc([C@H]2CCCN2C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)sc1C 471974791 CFCOOFIXNMKUAL-IUODEOHRSA-N 432.502 4.062 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(=Cc3cccc(OC)c3)CC2)cc1OC 472952656 PPFFHLBDXBTQIB-UHFFFAOYSA-N 426.469 4.330 5 20 IIBD COC(=O)c1cnc(Oc2ccc(N(C)C(=O)c3ccc(Cl)cc3)cc2)c([N+](=O)[O-])c1 477716254 GLZLGAISDHYFFH-UHFFFAOYSA-N 441.827 4.499 5 20 IIBD O=C(NCc1nc2ccc(F)cc2[nH]1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 479941199 OCHVIWITDCLZOT-UHFFFAOYSA-N 449.229 4.033 5 20 IIBD O=C(Nc1ccn(-c2ncccc2C(F)(F)F)n1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 480732258 ZIRFZHKCQRIDSZ-UHFFFAOYSA-N 446.389 4.391 5 20 IIBD COCCNc1ccccc1NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 480825438 YKXHNCYKPTXWLH-MRXNPFEDSA-N 435.484 4.474 5 20 IIBD CCc1c(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cnn1-c1ccc(Cl)cc1 482741391 CHHKMKJXHRXKAH-UHFFFAOYSA-N 430.848 4.022 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 484947090 OJZHEAGFKPWLNB-ZWKOTPCHSA-N 445.972 4.321 5 20 IIBD COc1ccc(-c2noc([C@@H](C)S(=O)(=O)[C@H](C)c3cc([N+](=O)[O-])ccc3C)n2)cc1 485245337 MLNNYXAZDSHFFY-ZIAGYGMSSA-N 431.470 4.199 5 20 IIBD C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccncc2)cc1 486770138 LJKJLLCZYNEOBP-MRXNPFEDSA-N 432.480 4.397 5 20 IIBD CC[C@H](NC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C)c1nc(C(F)(F)F)cs1 486879019 HPFLBABSZXDELF-JTQLQIEISA-N 446.407 4.438 5 20 IIBD CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1cccc([N+](=O)[O-])c1 487892449 CRLBTSSJKAUEGQ-GOSISDBHSA-N 445.522 4.338 5 20 IIBD CCN(C(=O)Cc1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)cc1)c1ccccc1 489294677 PJCGTXQNWVOJDF-UHFFFAOYSA-N 443.463 4.319 5 20 IIBD Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2O)cc1[N+](=O)[O-] 489673765 CJQWHZNERVSLCP-KKSFZXQISA-N 447.491 4.244 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 490608968 ADUMGSQGLUQGDO-CQSZACIVSA-N 449.458 4.382 5 20 IIBD Cc1cc(C)c(S(=O)(=O)Nc2cccc(CN(C)Cc3cscn3)c2)cc1[N+](=O)[O-] 493133714 PVDSGOLRZNWRMC-UHFFFAOYSA-N 446.554 4.101 5 20 IIBD C[C@@H](C1CC1)N(C(=O)c1ccc(C(=O)N(C2CC2)[C@H](C)C2CC2)cc1[N+](=O)[O-])C1CC1 494316876 UYNUGJFJDGPKAI-CABCVRRESA-N 425.529 4.401 5 20 IIBD COc1cc(CCNC(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)c([N+](=O)[O-])cc1OC 500397222 PNPDIHKQSSMVAA-HNNXBMFYSA-N 431.489 4.002 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cccc(N2CCCCC2=O)c1 505980650 FYNAFRWDRBJSBP-UHFFFAOYSA-N 425.488 4.310 5 20 IIBD O=C(Nc1ccc(F)cc1OCC(F)(F)F)N1CCN(c2ccccc2[N+](=O)[O-])CC1 506839365 NPQGUWQICFBIFD-UHFFFAOYSA-N 442.369 4.029 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCc2ccc(-n3cccn3)cc2)cc1[N+](=O)[O-])c1ccccn1 507051020 HNHIOOACSITUQN-KRWDZBQOSA-N 442.479 4.279 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](CO)Cc1c(F)cccc1Cl 507317578 XFULEOKQMSADOK-CYBMUJFWSA-N 440.924 4.470 5 20 IIBD C[C@H](NC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cccc([N+](=O)[O-])c1 512093032 XOHQRCIPNNXWBT-KSSFIOAISA-N 436.434 4.248 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O 513497756 BCYOEEBGVYAFOM-AUUYWEPGSA-N 445.516 4.328 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O 513598364 RVUOXXOHFVUDJX-AQOAWAETSA-N 441.503 4.171 5 20 IIBD C[C@@H](NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc(Oc2cccnc2)cc1 514156154 OVOFLPAXZDBEFO-MRXNPFEDSA-N 436.472 4.086 5 20 IIBD CCCCN1C(=O)C[C@H](C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(OC)cc1 515681738 RZLKAJABQPQFGQ-YROCYRMSSA-N 439.512 4.171 5 20 IIBD CN(C)c1cccnc1CN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 517449200 SLOVPHRMURWHRU-NRFANRHFSA-N 439.903 4.179 5 20 IIBD COc1cc(CCNC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)c([N+](=O)[O-])cc1OC 517502446 UKMZWEALLXBCHP-INIZCTEOSA-N 427.501 4.165 5 20 IIBD COc1ccc(Cl)cc1CNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 519075561 PKUZTGKJFVWNRU-UHFFFAOYSA-N 428.876 4.048 5 20 IIBD Cc1ccccc1CN(Cc1cccnc1)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 520094090 CZYSNUNBZROTCI-UHFFFAOYSA-N 427.464 4.327 5 20 IIBD COc1cc(C(=O)NC[C@@H]2CCC[C@H](O)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 521921187 SITSZKNIJBIOTE-CJNGLKHVSA-N 434.876 4.330 5 20 IIBD CC(C)CCSc1ccc(C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)cc1[N+](=O)[O-] 522541856 YUPDGAZOQIPDGE-AWEZNQCLSA-N 433.496 4.347 5 20 IIBD CCc1ccc([C@@H](CNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)N(C)C)cc1 522626525 ZITWELFMYFCVES-HXUWFJFHSA-N 441.919 4.071 5 20 IIBD O=C(COc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1F)Nc1ccccc1F 524163988 HEALWPQEHHDWNJ-UHFFFAOYSA-N 427.363 4.143 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CSC[C@H]2C(=O)NC(C)(C)C)cc1[N+](=O)[O-] 524242694 GXMLDSLSSXBHBS-INIZCTEOSA-N 439.603 4.163 5 20 IIBD CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)cc1Cl 525021141 AWMXBSCJSGWKEB-UHFFFAOYSA-N 449.891 4.436 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-n3cccn3)c(Cl)c2)c(C(F)(F)F)c1 532611790 AMHMMELYBBCWFF-UHFFFAOYSA-N 446.794 4.254 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 533276104 ZLZXYWGNMSIRGU-ADLMAVQZSA-N 442.274 4.441 5 20 IIBD COc1ccccc1[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccn1 536350285 LOCQUAZEEPSUBH-LJQANCHMSA-N 442.269 4.280 5 20 IIBD C[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(OCc2cccnc2)cc1 537024514 NMMJRLBJOGTZBX-GAJHUEQPSA-N 432.480 4.025 5 20 IIBD CC[C@@H](C)n1nc(NC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])cc1C 540540993 IXNBTFMNZDWFRK-GFCCVEGCSA-N 445.501 4.367 5 20 IIBD Cc1c(NC(=O)[C@H](C)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cccc1[N+](=O)[O-] 542016414 BZVRWFWPNZLUQQ-LIRRHRJNSA-N 437.418 4.323 5 20 IIBD CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C1CC1 542550257 HNGOOHRPCQRACN-YCRPNKLZSA-N 428.460 4.003 5 20 IIBD CCN(CC)C(=O)CCC1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 543000634 JRXJGFFZKFSRAH-UHFFFAOYSA-N 429.439 4.114 5 20 IIBD O=c1oc2cc([N+](=O)[O-])ccc2n1CCCc1nc(CCCc2ccccc2Cl)no1 544963262 VARFFNZLVVMPCD-UHFFFAOYSA-N 442.859 4.347 5 20 IIBD COc1cccc(-n2ccnc2SCc2nc(Cc3cccc([N+](=O)[O-])c3C)no2)c1 545078033 YYFGOEJPSIVQGM-UHFFFAOYSA-N 437.481 4.364 5 20 IIBD COc1ccc(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)cc1[N+](=O)[O-] 545401541 IEYRZYMQGVPSBM-UHFFFAOYSA-N 435.274 4.050 5 20 IIBD COC(=O)c1ccc(Cl)c(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1C 545929778 IEJQZWCGRUZSRJ-UHFFFAOYSA-N 431.876 4.198 5 20 IIBD Cc1cc(NC(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)ccc1[N+](=O)[O-] 546742612 XKJMYSAEOVHABV-UHFFFAOYSA-N 437.283 4.200 5 20 IIBD C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1ccc(NC(=O)NC2CC2)cc1 547286036 MEFORHNFSFYDNQ-ZDUSSCGKSA-N 428.464 4.173 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H](c1ccccc1)N1CCC[C@@H]1CF 550410524 WFFQFLAKNRAJAA-QAPCUYQASA-N 436.281 4.471 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC(N4CCc5cc(F)ccc54)CC3)o2)c1 558730630 RELMUWONQAAXNR-UHFFFAOYSA-N 436.487 4.459 5 20 IIBD O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 564533807 RWDULMIWCLMIPK-KRWDZBQOSA-N 435.358 4.188 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](Cc1ccccc1)c1ccc(OC)cc1 573257975 RRIUCWXOSLKUKU-JOCHJYFZSA-N 447.491 4.205 5 20 IIBD CCOCc1ccc(CNCc2cc(I)cc([N+](=O)[O-])c2)cc1 573647450 NKGHARGVNNNXPR-UHFFFAOYSA-N 426.254 4.026 5 20 IIBD Cc1cccc(CN(C)C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 574008561 VHWOBMZQKGTROF-UHFFFAOYSA-N 436.434 4.192 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 574139217 FHNSIVGKPGTODW-ZDUSSCGKSA-N 439.921 4.021 5 20 IIBD Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 577043455 MJEIDCORQNRWCP-AVRDEDQJSA-N 433.512 4.289 5 20 IIBD O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@@](CO)(Cc4ccc(F)cc4)C3)cs2)c1 583780195 FHDNFDVNVRCBRB-JOCHJYFZSA-N 427.501 4.285 5 20 IIBD COC[C@H](NC(=O)N(C)CCc1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 588358630 HTUUHNHPQBUTND-KRWDZBQOSA-N 425.407 4.185 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC(c3noc4cc(F)ccc34)CC2)c1 589236824 MRFZGPHVFXMRFF-UHFFFAOYSA-N 433.461 4.060 5 20 IIBD O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 603447450 OIFYVUUAFSPCDV-JOCHJYFZSA-N 430.508 4.211 5 20 IIBD CCc1noc(CN(c2ccc([C@@H](C)CC)cc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 603680285 YPKFJCAFXLGDKX-HNNXBMFYSA-N 444.513 4.449 5 20 IIBD CC(=O)Nc1c(C)ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1C 604010558 BHUNUJUSJDWWPX-UHFFFAOYSA-N 425.363 4.363 5 20 IIBD CCCOc1ccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c(C)c1 604022659 NHCYJCVHTCCGNP-UHFFFAOYSA-N 427.486 4.224 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)c(Cl)c1 604038738 NXVJTYBCLPNRLA-UHFFFAOYSA-N 426.281 4.130 5 20 IIBD O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604258204 VGXOGPXFTSWFME-PHIMTYICSA-N 425.329 4.372 5 20 IIBD Cc1cccc(COc2cccc(NC(=O)[C@@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)c2)c1 609533308 AYRQDMFGVYZSGD-QGZVFWFLSA-N 433.464 4.239 5 20 IIBD COc1ccccc1SC[C@H](C)CNC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609549417 MEZYDCAQVLZEQJ-CYBMUJFWSA-N 427.482 4.015 5 20 IIBD Cc1nc2c(c(O)nn2C)c(C)c1CC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609762801 VEZCSYWFFMYXEQ-UHFFFAOYSA-N 447.451 4.172 5 20 IIBD O=C(Cc1csc(-c2ccccc2Cl)n1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 609840074 COHHAFKDFHEIMK-ZDUSSCGKSA-N 443.916 4.022 5 20 IIBD O=C1CSc2ccccc2N1CCC(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 609859000 ZVMUQXRFBFXVNF-UHFFFAOYSA-N 425.510 4.399 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc3nn(C(C)C)cc3c2)ccc1[N+](=O)[O-] 609880506 KEXMZXVIVGQXNC-NRFANRHFSA-N 435.484 4.077 5 20 IIBD CCCc1[nH]nc(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)c(Cl)c2)c1[N+](=O)[O-] 609987454 DNSSADRVSUNQQP-GFCCVEGCSA-N 433.896 4.191 5 20 IIBD O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCC[C@H]2c2ccccc2Br)cc1 611539798 QRTOAVZNWJKDHZ-SFHVURJKSA-N 439.331 4.067 5 20 IIBD C[C@H](OC(=O)c1csc(-c2ccc(O)cc2)n1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 726645762 ORWNGIJJOIMWIW-JTQLQIEISA-N 447.856 4.261 5 20 IIBD O=C(OCc1nnc(-c2ccccc2Cl)o1)c1cc([N+](=O)[O-])ccc1Br 728837579 OAHFHPWSXPYDKU-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD CN(C)C(=O)Sc1cccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 729242926 QEWDDSRYJVSDRU-UHFFFAOYSA-N 428.514 4.224 5 20 IIBD CC(=O)N[C@@H](CC(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 729812824 KZWBDTAFAHUDCQ-XIKOKIGWSA-N 435.274 4.229 5 20 IIBD Cc1ccc([C@@H](NC(=O)COC(=O)c2cc(F)cc([N+](=O)[O-])c2)c2cccs2)cc1 731528572 BIKWOHBXYOSZDX-HXUWFJFHSA-N 428.441 4.166 5 20 IIBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 731630127 MTVQXGOCTLGLDT-UHFFFAOYSA-N 442.374 4.379 5 20 IIBD CC[C@@H](OC1CCCC1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 733101725 GWAPMQPVXMFOGA-GOSISDBHSA-N 429.439 4.000 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 734790037 XYXXXHAIHIFRLF-SDNWHVSQSA-N 436.489 4.362 5 20 IIBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ccccc1SC(F)(F)F 735272029 NINNJOWUINKBRQ-UHFFFAOYSA-N 433.795 4.229 5 20 IIBD Cc1cc([C@H]2CCCN2C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)no1 736069089 LWOQPPXEYCCNJH-MRXNPFEDSA-N 436.255 4.361 5 20 IIBD O=[N+]([O-])c1ccc(OS(=O)(=O)c2cc(C(F)(F)F)ccc2F)c(Br)c1 738403260 HRDDLIBZCWWPGS-UHFFFAOYSA-N 444.156 4.283 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 742873609 RNCNVWAWGPPCSI-UHFFFAOYSA-N 427.438 4.401 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(C)c(C)c2)c([N+](=O)[O-])cc1OC(F)F 744532931 FURCTFQWWPKVBR-GFCCVEGCSA-N 438.383 4.006 5 20 IIBD Cc1sc(NC(=O)COC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c(C)c1C 745050964 UNYJIXMTGKGQPT-UHFFFAOYSA-N 426.878 4.186 5 20 IIBD CC(C)c1nn(C)c2sc(C(=O)OCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cc12 745533633 MELGNMQEGWGEPA-UHFFFAOYSA-N 427.442 4.073 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)c(C(F)(F)F)c1 746664451 GPZYBOXPDYJISU-HNNXBMFYSA-N 436.358 4.418 5 20 IIBD CCc1ccc(C(=O)OCc2nnc(-c3ccc(Br)s3)o2)cc1[N+](=O)[O-] 747009829 BKNCOJASXNZIBX-UHFFFAOYSA-N 438.259 4.388 5 20 IIBD O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 748659128 MRAYOIFGZNVMFU-UHFFFAOYSA-N 443.916 4.239 5 20 IIBD O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)C1(c2ccccc2F)CCCC1 749357210 DRBWGXNGHXRTDW-UHFFFAOYSA-N 427.476 4.401 5 20 IIBD COc1ccc(C(=O)CCC(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1F 751712687 CORKOMWAUFIJHF-GFCCVEGCSA-N 443.387 4.060 5 20 IIBD COc1ccc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OC1CCCC1 751975334 HUUDXHLXTSNGFL-UHFFFAOYSA-N 448.859 4.374 5 20 IIBD C/C(=C/C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1OC(F)F 753541186 LXEUTBDJTPSFQD-BENRWUELSA-N 431.351 4.393 5 20 IIBD C[S@@](=O)Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2Br)ccc1Cl 753826165 LCIJOCCYTJBWNN-XMMPIXPASA-N 431.695 4.142 5 20 IIBD CN(C)c1ccc(N(Cc2ccc[nH]2)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1 754391634 JQGFIJASIMWJQG-UHFFFAOYSA-N 430.411 4.437 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 755025453 XLLAREFSQSQFGQ-UHFFFAOYSA-N 434.477 4.289 5 20 IIBD Cc1cc(NC(=O)COC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)ccc1Br 755069164 VAXODQCUOFBQMI-NSHDSACASA-N 439.237 4.090 5 20 IIBD CC[C@H](NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccc(C)cc1)n1cncn1 756266424 AKACPECLIIMOMW-HKUYNNGSSA-N 428.880 4.338 5 20 IIBD CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 756967101 ONXDDSZQOKXONG-SFHVURJKSA-N 430.936 4.302 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 758484933 XEVZJFQNEALSTN-MRXNPFEDSA-N 438.259 4.153 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)C[C@@H]2CSCCS2)c2ccccc2)c([N+](=O)[O-])c1 759807009 HPBBKBQLIKOJEE-OXQOHEQNSA-N 446.550 4.365 5 20 IIBD C[C@@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1CNC(=O)OC(C)(C)C 760844378 ULZKCZQOVVQTHC-BEFAXECRSA-N 430.505 4.375 5 20 IIBD C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1NC(=O)c1cc([N+](=O)[O-])ccc1Br 760881744 QJODYGKZCMQPBT-GJZGRUSLSA-N 446.345 4.244 5 20 IIBD CCN(Cc1noc(Cn2c3ccccc3c(=O)c3ccccc32)n1)C(=O)OC(C)(C)C 761943518 NOJOOXQGTRIMNF-UHFFFAOYSA-N 434.496 4.343 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H]1CCCc2nc(C)sc21 762637671 KYCTYPNUJCAQRJ-HNNXBMFYSA-N 436.511 4.249 5 20 IIBD Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c1C 764156636 SXRLEOKZWHWAAH-QGZVFWFLSA-N 445.903 4.125 5 20 IIBD CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)O[C@H](C)c1ccccc1[N+](=O)[O-] 764588793 FJEVLTVQARWHKP-DYVFJYSZSA-N 436.917 4.404 5 20 IIBD CC(C)Oc1ccc(C(=O)O)cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 766938413 HOCDSDCUWKABQB-UHFFFAOYSA-N 441.209 4.234 5 20 IIBD O=C(O[C@@H]1CCOC[C@H]1OCc1ccccc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 766993210 AAXJYQHFURHQLV-QZTJIDSGSA-N 425.359 4.145 5 20 IIBD Cc1cc(S(=O)(=O)Nc2cccc(CSC3CCOCC3)c2)cc([N+](=O)[O-])c1F 768272789 UTLRIBFYYPORPG-UHFFFAOYSA-N 440.518 4.255 5 20 IIBD Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)NCCc2ccccc2[N+](=O)[O-])c1 769129395 XHRBLDQXQBSWAH-XMMPIXPASA-N 433.508 4.391 5 20 IIBD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCC(Cc3cccnc3)CC2)c1=S 770670272 ZXDBTSHEIJHMGQ-UHFFFAOYSA-N 438.557 4.316 5 20 IIBD Cc1ccc([C@@](O)(Cc2noc([C@H](C)c3ccc([N+](=O)[O-])cc3F)n2)C(F)(F)F)o1 770905715 WLISIGWDOFIDOD-QGHHPUGFSA-N 429.326 4.163 5 20 IIBD Cc1cc(C(=O)COC(=O)c2sc(Br)cc2[N+](=O)[O-])c(C)n1C1CC1 773598809 NRGNTYPOBBFXLU-UHFFFAOYSA-N 427.276 4.212 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]1C 775491880 KPZRMOXOOASKBJ-LSDHHAIUSA-N 437.562 4.471 5 20 IIBD O=C(COC(=O)[C@H]1CCc2c(Cl)cccc21)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 775928314 LPGWSUXOYXJYCK-ZDUSSCGKSA-N 442.777 4.479 5 20 IIBD CC(C)(C)OC(=O)NCc1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 777649850 APONRKXJDDNLGP-UHFFFAOYSA-N 441.893 4.074 5 20 IIBD CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2F)NC(=O)N1C1CC1 777945172 YKZJQEMLSGCOCF-LJQANCHMSA-N 428.395 4.014 5 20 IIBD O=C(NC[C@@H](O)c1cccc(OCc2ccccc2)c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 778349259 VYNCHJQNDGMHMX-OAQYLSRUSA-N 442.418 4.115 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)c1csc(Cc2ccc(F)cc2)n1 778798523 VOOCFFCDIWXGSW-GOSISDBHSA-N 427.457 4.217 5 20 IIBD CC(C)n1cc2c(n1)[C@H](Nc1ccc(S(=O)(=O)N3CCCCC3)cc1[N+](=O)[O-])CCC2 780398976 UIBFUYPEDNXSHE-LJQANCHMSA-N 447.561 4.036 5 20 IIBD CC[C@@H]1C[C@@H](CC(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCO1 781763789 JRKVRADEDZROLY-GRDNDAEWSA-N 447.513 4.184 5 20 IIBD CC(C)(C)OC(=O)NCCOc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 784131020 XWVDOMSIODMKDQ-UHFFFAOYSA-N 441.440 4.497 5 20 IIBD CC(C)c1ccc(C(=O)N2CCC(OCCCNC(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] 784425576 MAFJAWRTWDMWFA-UHFFFAOYSA-N 449.548 4.254 5 20 IIBD Cc1nn(C(F)F)c(C)c1COC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 784995791 QQJIVWYZRKROHS-UHFFFAOYSA-N 433.415 4.022 5 20 IIBD COc1cc(OCC(=O)OCc2ccc(Br)c3cccnc23)ccc1[N+](=O)[O-] 785243107 KKKWCZVFMLZEIR-UHFFFAOYSA-N 447.241 4.036 5 20 IIBD O=[N+]([O-])c1ccc([C@@H](O)COc2ccc(Oc3ncc(Br)cn3)cc2)cc1 788828023 BMSDBCSSUOPTGL-KRWDZBQOSA-N 432.230 4.052 5 20 IIBD COc1ccc(C(=O)Oc2ccc(Oc3ncc(Br)cn3)cc2)cc1[N+](=O)[O-] 789730800 MZVMIDKIHNKLLF-UHFFFAOYSA-N 446.213 4.167 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CC1)CCN(c1ncnc3ccc([N+](=O)[O-])cc13)CC2 790793498 CKZOJSFPVULFAM-UHFFFAOYSA-N 427.505 4.156 5 20 IIBD O=C(c1cc(F)cc2cccnc12)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791174254 KIYUDEOKPMDNKO-UHFFFAOYSA-N 430.233 4.243 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CCO2 794833034 JBZGDHXRYINUPB-UHFFFAOYSA-N 427.457 4.285 5 20 IIBD O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN(Cc1ccc(F)cc1Cl)CC1CC1 795648983 WQBBIYNTWGOAIR-UHFFFAOYSA-N 442.878 4.481 5 20 IIBD CCn1nc(C)c(CC(=O)Oc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)c1C 796757051 SLQHUOSPJLSPTL-UHFFFAOYSA-N 447.447 4.350 5 20 IIBD CC(C)(C(=O)O[C@@H]1CCCN(C(=O)c2ccccc2Cl)C1)c1ccccc1[N+](=O)[O-] 796874282 JTJNBUQPWSXCOQ-OAHLLOKOSA-N 430.888 4.374 5 20 IIBD C[C@H](C(=O)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc(C(F)(F)F)cc1 798783774 LTYXPGVUPGBFQE-LBPRGKRZSA-N 438.358 4.259 5 20 IIBD Cc1nc(-c2ccc(C(=O)OCC3CCN(c4ccc([N+](=O)[O-])cn4)CC3)cc2)cs1 799606505 DEIYHKRWCRYRIZ-UHFFFAOYSA-N 438.509 4.495 5 20 IIBD COc1ccc2nc(Cl)ccc2c1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1Cl 800931127 YYUJNVDXUWDLRD-UHFFFAOYSA-N 428.253 4.259 5 20 IIBD C[C@@H](CC(=O)N(C)CCc1ccccc1[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 803410697 RXXXYRPPWQNKEC-KRWDZBQOSA-N 433.549 4.269 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCc1cc(F)c(F)cc1Br 803572750 ORQBTEKDTIYLIU-UHFFFAOYSA-N 437.599 4.287 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(CCNc2nc(O)c3cc([N+](=O)[O-])ccc3n2)cc1 804542925 QHIOAYMUXICOOL-UHFFFAOYSA-N 425.445 4.245 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1CCNC(=O)OC(C)(C)C 805299110 TYYCWERLZPORGI-HOTGVXAUSA-N 437.562 4.371 5 20 IIBD CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 805299643 ZGAOOXTZMAOMBT-KRWDZBQOSA-N 432.521 4.079 5 20 IIBD Cc1ccc(-c2[nH]nc(NC(=O)CN(C)c3cc(Br)ccc3[N+](=O)[O-])c2C)o1 807111424 IQHFHHHCRDPITI-UHFFFAOYSA-N 448.277 4.032 5 20 IIBD CN(CC(=O)N(Cc1ccccn1)C(C)(C)C)c1cc(Br)ccc1[N+](=O)[O-] 808755981 SJYHNILYNAHZFX-UHFFFAOYSA-N 435.322 4.016 5 20 IIBD CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811042021 MFBIEEVBQUMXMH-SFHVURJKSA-N 437.279 4.481 5 20 IIBD COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)c1 815237976 SONXUPLPTFOUDI-GOEBONIOSA-N 425.359 4.478 5 20 IIBD CSCC[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)O[C@H](C)c1ccccc1 847413985 GSKJFZNMSDKSIB-DYVFJYSZSA-N 436.917 4.404 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cc2ccc(C(C)C)cc2[nH]1 914668195 DFWONVFNOKMHOR-CYBMUJFWSA-N 425.441 4.392 5 20 IIBD CC1CCC(N(C(=O)c2cc([N+](=O)[O-])ccc2I)C2CC2)CC1 915864855 DWPQBTOVGOUCAS-UHFFFAOYSA-N 428.270 4.383 5 20 IIBD COc1ccc(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1N1CCCCC1=O 917932203 AHOHBPVLEKCIIU-CYBMUJFWSA-N 446.891 4.213 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1csc(-c2ccc(F)cc2)n1 919014359 RPNIZUDORJRQQN-UHFFFAOYSA-N 426.385 4.264 5 20 IIBD Cc1noc(-c2ccc(C(=O)Oc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)cc2)n1 1115831466 IZPHIUOIMZKOJT-UHFFFAOYSA-N 444.403 4.425 5 20 IIBD COc1ccccc1-c1nc(CSc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)cs1 1319547608 YWJMXALKVNDJJA-UHFFFAOYSA-N 436.536 4.423 5 20 IIBD Cc1ccoc1C(=O)NC1(c2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2)CCC1 1790619328 DRQLULKWVRSZBF-UHFFFAOYSA-N 435.436 4.263 5 20 IIBD O=C(Cc1cc(F)ccc1[N+](=O)[O-])NC1(c2ccc(NC(=O)C34CC(C3)C4)cc2)CCC1 1792037360 CZGMDXSHMFITIM-UHFFFAOYSA-N 437.471 4.211 5 20 IIBD Cc1csc(C(=O)N2CCC3(CCCN(C(=O)/C=C/c4ccc([N+](=O)[O-])o4)C3)CC2)c1 1805680703 NZDSHZBRHWRIIO-HWKANZROSA-N 443.525 4.116 5 20 IIBD Cc1cc(C(=O)N2CCC3(CCCN(C(=O)CCC4CCCC4)C3)CC2)ncc1[N+](=O)[O-] 1808948092 KHSNNXPSPKUUDJ-UHFFFAOYSA-N 442.560 4.113 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)n[nH]1 1814966106 VSVXSHRVMJJJAX-NMIVOGFZSA-N 429.477 4.053 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)[nH]n1)c1cccc2ccoc12 1821537179 KSUKBIJEZQZWBF-QGZVFWFLSA-N 448.439 4.012 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])n[nH]1 1823500491 BCKZTOMXIPFZTO-XUBBYMEQSA-N 439.516 4.460 5 20 IIBD COc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C(C)C)CC2)ccc1[N+](=O)[O-] 1832513186 RJUABYYOOGIPSW-JRMCHAMMSA-N 443.544 4.049 5 20 IIBD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCCCN2C(=O)CC2CCC2)CC1 1832834537 AWRISCMATHDMGG-HSZRJFAPSA-N 441.572 4.337 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCCC23CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C3)s1 1843559907 WGQWCQJZPJGICQ-UHFFFAOYSA-N 445.516 4.224 5 20 IIBD CC(C)[C@H]1CC[C@H](C(=O)N2CCCC23CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C3)CC1 1846079889 YBSQLWARQRYIAS-QAQDUYKDSA-N 431.508 4.013 5 20 IIBD CCOc1c(Cl)cc(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 9616057 GCFSMMPFYKRLEJ-UHFFFAOYSA-N 443.239 4.104 5 20 IIBD COc1cccc(CC(=O)O[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)c1 11705745 DKDUMTNLEUGODO-HSZRJFAPSA-N 434.448 4.378 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cn(Cc2ccccc2)nc1-c1cccs1 15139151 TUHZFGBOBQZRLE-UHFFFAOYSA-N 447.520 4.410 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)Cc2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])c1 15690385 YOWXFLAVZWWPEC-INIZCTEOSA-N 434.448 4.383 5 20 IIBD O=C(COC(=O)c1csc(-c2ccc(Cl)cc2)n1)Nc1cc([N+](=O)[O-])ccc1F 16457235 YBHJZBGQUABIQF-UHFFFAOYSA-N 435.820 4.306 5 20 IIBD C[C@@H](Sc1cc(C(=O)NC2CC2)c2ccccc2n1)C(=O)Nc1cccc([N+](=O)[O-])c1 17274749 GXXGCOWWLVKLKJ-CYBMUJFWSA-N 436.493 4.155 5 20 IIBD CC1CCC(N(C)C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 18147703 KJDVBDFJGXMCSB-UHFFFAOYSA-N 431.514 4.046 5 20 IIBD COc1ccc(NC(=O)CSc2nnc(Nc3cccc(C)c3)s2)c([N+](=O)[O-])c1 20787891 JKLOPJBJZYORHP-UHFFFAOYSA-N 431.499 4.238 5 20 IIBD COc1ccc([C@@H]2CCCN2C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1OC 23386010 XFPWFCNOLGPJPO-IBGZPJMESA-N 439.512 4.192 5 20 IIBD CC(C)n1c(S[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nc2ccccc2c1=O 24288306 POCWCTIUXRVXJN-LBPRGKRZSA-N 430.461 4.144 5 20 IIBD O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F)c1cccc([N+](=O)[O-])c1 25132194 RXTBPBPMTYXIRS-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD COc1cc(C(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c([N+](=O)[O-])cc1OC(F)F 27292682 ASZGMEVPFAYMAS-NSHDSACASA-N 449.410 4.044 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)cc1[N+](=O)[O-] 32098272 SFRUJKZKJJEXMT-UHFFFAOYSA-N 435.845 4.203 5 20 IIBD O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N(Cc1cccc(Br)c1)C1CC1 32162791 HGOWLWRIAWRYSK-UHFFFAOYSA-N 441.285 4.348 5 20 IIBD Cc1c(C(=O)Nc2cc(NC(=O)CN3CCCC[C@H]3C)ccc2F)cccc1[N+](=O)[O-] 59748935 AMKFQFADLDMBTJ-CQSZACIVSA-N 428.464 4.108 5 20 IIBD O=C(NCc1cc(F)ccc1Br)C1CCN(c2ccccc2[N+](=O)[O-])CC1 59799101 NZYXUQFUKDXEBB-UHFFFAOYSA-N 436.281 4.029 5 20 IIBD CCOc1cc(NC(=O)NCc2cccc(OC(F)F)c2)c([N+](=O)[O-])cc1OCC 65366779 SWZOHUMHFKOUBJ-UHFFFAOYSA-N 425.388 4.315 5 20 IIBD CN(C)[C@H](CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccco1 69040115 AMBSFXOQNCBNMX-HXUWFJFHSA-N 442.903 4.486 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)[C@H](C)Oc1ccccc1Cl)c1ccccc1[N+](=O)[O-] 105863866 BPYDNMVLMUPBKZ-YOEHRIQHSA-N 434.876 4.215 5 20 IIBD COc1ccc(CNCc2nncn2-c2ccccc2)cc1OCc1ccc([N+](=O)[O-])cc1 237452255 IQDMGFOEBOFJPV-UHFFFAOYSA-N 445.479 4.053 5 20 IIBD CCn1c(SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)nnc1-c1cccs1 261405622 AVZHXVLRYIVZTI-UHFFFAOYSA-N 431.499 4.025 5 20 IIBD CC(=O)Nc1cccc(-n2c(Sc3c(F)cc([N+](=O)[O-])cc3F)nnc2C2CC2)c1 301767404 DKRHSHGZIWLOND-UHFFFAOYSA-N 431.424 4.441 5 20 IIBD COc1ccc(C(=O)N2CCC(Nc3c(C)cc([N+](=O)[O-])cc3Cl)CC2)cc1OC 302804427 FALBASRRDUUSPL-UHFFFAOYSA-N 433.892 4.291 5 20 IIBD CCOc1cc(NC(=O)Cc2c(C)nn(-c3ccccc3)c2C)c([N+](=O)[O-])cc1OCC 302902039 ZKFUSKNCIPSEMC-UHFFFAOYSA-N 438.484 4.376 5 20 IIBD Cc1cccc([C@H]2CCCN2C(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)c1C 303932863 PZEKLLCEWDOPHC-LJQANCHMSA-N 432.480 4.043 5 20 IIBD CC(C)(C)c1nc(CN2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)cs1 409756125 UFYKBCAKKAUDNO-UHFFFAOYSA-N 437.953 4.352 5 20 IIBD Cc1cnc(-c2ccccc2NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)[nH]1 427183912 XERCDWWIKNSKPB-UHFFFAOYSA-N 430.468 4.407 5 20 IIBD COc1cc([N+](=O)[O-])ccc1CNc1ccc(NC(=O)[C@@H]2CCCO2)cc1C(F)(F)F 429799179 CDZZQZJNELLTNB-KRWDZBQOSA-N 439.390 4.352 5 20 IIBD CCCCOc1ccc(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1OC 429954817 ZIHJMWKKRGDTRD-UHFFFAOYSA-N 437.290 4.475 5 20 IIBD CSCc1ccc(NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc1 430315185 DKYUQNOIKDLDFG-UHFFFAOYSA-N 438.303 4.106 5 20 IIBD C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CC[S@]1=O 430354727 KSELJOIECGRDCK-CFJPQMKISA-N 438.958 4.383 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H](CO)c1c(Cl)cccc1Cl 431945798 KOIMNDMXCCRQCN-GFCCVEGCSA-N 436.198 4.358 5 20 IIBD Cc1nc(CN(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)cs1 435501819 RGWNBCRVIDJHOQ-UHFFFAOYSA-N 448.551 4.170 5 20 IIBD COc1c(F)cc(S(=O)(=O)N2C[C@@H](c3ccccc3)c3ccccc32)cc1[N+](=O)[O-] 435728470 MHMCQINDFTYUMC-KRWDZBQOSA-N 428.441 4.083 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccccc2-c2ccccc2C(=O)OC)cc([N+](=O)[O-])c1 435860041 CRJOKWGAJVNYOB-UHFFFAOYSA-N 434.404 4.087 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)NC[C@@H]2CCC(F)(F)C2)cc1[N+](=O)[O-] 435961318 RFRUBTOOCKMJJI-CQSZACIVSA-N 431.439 4.057 5 20 IIBD C[C@@H](c1cccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1)N1CCOCC1 436340213 RMCYKMMFNTWSEW-KRWDZBQOSA-N 427.504 4.327 5 20 IIBD O=C1[C@@H](N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)CCN1c1cccc([N+](=O)[O-])c1 441074476 MUDBBHAFFKRDFS-WFASDCNBSA-N 440.447 4.055 5 20 IIBD COc1cc(CCNC(=O)Nc2cccc(CCC(F)(F)F)c2)c([N+](=O)[O-])cc1OC 441132182 ZHLBGISNLSTJCR-UHFFFAOYSA-N 441.406 4.471 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(COCC(F)(F)F)c1 441741496 QEXYMGHYJZNVOJ-ZDUSSCGKSA-N 428.432 4.471 5 20 IIBD CCO[C@@H]1C[C@@](O)(CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1(C)C 442750607 GQIBETINUICXRN-DENIHFKCSA-N 430.526 4.042 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(-c3ccc(C)c(NC(=O)c4ccco4)c3)n2)c1 445575861 RVKMRAUTQVQQQI-UHFFFAOYSA-N 434.408 4.398 5 20 IIBD CCOC(=O)[C@@H]1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc21 446248135 MXZQHRFSYSUZOT-CZUORRHYSA-N 432.860 4.099 5 20 IIBD Cn1ccnc1C(=O)c1ccc(N2CCn3c(cc4ccc(Cl)cc43)C2)c([N+](=O)[O-])c1 447669659 KCCDYPOEQVNAQX-UHFFFAOYSA-N 435.871 4.188 5 20 IIBD COCCN(Cc1cncs1)c1ccc(C(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-] 447809805 CVGVYRBAKIMCOO-UHFFFAOYSA-N 426.498 4.265 5 20 IIBD CC(C)[C@H](NC(=O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(F)cc1 464782631 YWXGSINEWDNFBT-QHCPKHFHSA-N 429.492 4.091 5 20 IIBD COc1ccccc1-c1noc([C@H](C)NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)n1 466533001 YRCIBNUULAPMRZ-JTQLQIEISA-N 449.370 4.138 5 20 IIBD COC(=O)C1CCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC1 466764941 INNZSWOPXAKZTK-UHFFFAOYSA-N 434.901 4.425 5 20 IIBD CC[C@@H]1Oc2cc([C@@H](C)Nc3ccc(C(=O)NC(C)C)cc3[N+](=O)[O-])ccc2NC1=O 467008515 YEFZOLQDVOLPQX-YJYMSZOUSA-N 426.473 4.016 5 20 IIBD COc1ccc(CNC(=O)c2ccc3c(c2)nc(C)n3Cc2ccsc2)cc1[N+](=O)[O-] 472463596 LTNLLLQDZLUXTK-UHFFFAOYSA-N 436.493 4.301 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 472696892 FTJMAXSQLAMGIH-IAGOWNOFSA-N 439.365 4.144 5 20 IIBD CCn1cc(C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])c(=O)c2cc(Cl)ccc21 476440083 QRGXGVMHUKXOFK-UHFFFAOYSA-N 442.903 4.123 5 20 IIBD CCc1nc2c(s1)[C@@H](N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br)CCC2 478289097 XOGGXCYWRXLIKI-HNNXBMFYSA-N 438.347 4.455 5 20 IIBD COc1ccc(OC[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)cc1[N+](=O)[O-] 478405085 YYVRKYNJZWIRCI-IBGZPJMESA-N 445.418 4.428 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCCc2cccc(OCC(F)(F)F)c2)cc1SC 478518311 PGENEYHAQFGCBZ-UHFFFAOYSA-N 444.431 4.239 5 20 IIBD CC(C)(C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1ccc([N+](=O)[O-])cc1 479211849 GLBRVVXVLALARU-QGZVFWFLSA-N 436.295 4.101 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cn(-c2ccccc2)nc1-c1cccnc1 479336995 AVCDJIOWIWNEOG-UHFFFAOYSA-N 447.882 4.468 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C[C@@H](C)S1=O 481739085 QSKBKCAGNZQFRD-CHWSQXEVSA-N 438.958 4.381 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3cccc(Br)c3)cn2)cc1 481872590 UVSFAMIUGGFIRD-UHFFFAOYSA-N 434.271 4.220 5 20 IIBD CC(C)CCSc1ccc(C(=O)N2CCS(=O)(=O)c3ccccc3C2)cc1[N+](=O)[O-] 482258742 RHNDQXHUURDIFR-UHFFFAOYSA-N 448.566 4.163 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1N1CCNC1=O 488653268 AUCXKHMKCZSVBW-UHFFFAOYSA-N 445.479 4.297 5 20 IIBD C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 488755281 SFCRQJWVGAYTSK-GFCCVEGCSA-N 436.394 4.258 5 20 IIBD CC[C@H](c1ccccc1)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)o1 488809983 ANTARGMBMLOPPD-OAHLLOKOSA-N 428.470 4.259 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1 489957928 OXPLACULHFMMGZ-UHFFFAOYSA-N 440.518 4.279 5 20 IIBD COc1cc(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])cc1OCC(F)F 491136759 OVMKLBAKYGMFLZ-LJQANCHMSA-N 442.846 4.474 5 20 IIBD O=C(Nc1cc(CSCCO)ccn1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 491569882 MJWBDKBWGMMZKR-UHFFFAOYSA-N 438.509 4.080 5 20 IIBD O=C(Nc1cccc(S(=O)(=O)C2CCCCC2)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 491876785 VAYQBYFQPXTWJZ-UHFFFAOYSA-N 427.482 4.435 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@@H]1CCCN(Cc2cccs2)C1 492889240 FYICPEKYIPKKBC-IBGZPJMESA-N 445.588 4.245 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cccc3c2CN([C@@H](C)C(C)C)C3)cc1[N+](=O)[O-] 493900070 JOBXGYAMIOJSTE-IRXDYDNUSA-N 438.528 4.079 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cc(-c3ccccc3)nn2C(C)C)cc1[N+](=O)[O-] 494039544 UOEBXWLEWNECBS-INIZCTEOSA-N 435.484 4.164 5 20 IIBD C[S@@](=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1F 495313681 ZEZQKPDMXUKELT-SSEXGKCCSA-N 427.457 4.336 5 20 IIBD COc1cc(Cl)ccc1CNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 502415041 NLXZKGADQPGWBO-UHFFFAOYSA-N 428.876 4.048 5 20 IIBD C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 504634531 HAKOKCBFCHXMRV-CYBMUJFWSA-N 438.406 4.297 5 20 IIBD C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1cccc(NC(=O)Cc2ccccc2F)c1 505783965 UYYRVEGFSWQHDU-CQSZACIVSA-N 437.427 4.112 5 20 IIBD COc1cc(CCNC(=O)Nc2ccc(Cl)c(OC(F)F)c2)c([N+](=O)[O-])cc1OC 506990492 WQVYDWBGHHTOMY-UHFFFAOYSA-N 445.806 4.231 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCN(CCCc2ccccc2)CC1 507116255 DHNUHMKCRHQICK-IBGZPJMESA-N 427.570 4.243 5 20 IIBD CN(c1ccccc1)c1ccc(CNCc2cccc(CS(C)(=O)=O)c2)cc1[N+](=O)[O-] 507915925 YQZIYMWXDILNDC-UHFFFAOYSA-N 439.537 4.197 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1 509106755 CTFMXSRNVUMDTG-UHFFFAOYSA-N 428.432 4.356 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(N3CCNC3=O)cc2)cc1 509126852 BRTWBELYZKHXMH-UHFFFAOYSA-N 448.435 4.178 5 20 IIBD COCCC[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccc(Cl)cc1 509602808 RFXLHAZHJMJHJO-AWEZNQCLSA-N 432.951 4.107 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2ccc(Cl)cc2Br)CC1 509813032 DJBCXQFUSJXCKM-UHFFFAOYSA-N 444.738 4.030 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C 510552440 QKDVNWAUBBLCTL-HRAATJIYSA-N 431.558 4.063 5 20 IIBD COc1cc(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)ccc1OC1CCCC1 514574641 OJRPKDCAZAHMHL-UHFFFAOYSA-N 436.468 4.041 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 517766851 HKIBPPHXBGCKPZ-WSTZPKSXSA-N 445.313 4.310 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl 518081702 XYBMCWAEOJIZSQ-SNVBAGLBSA-N 426.256 4.068 5 20 IIBD Cc1c(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cnn1-c1cccc(Br)c1 518494530 QMLYJAMGCXPLPI-UHFFFAOYSA-N 429.274 4.124 5 20 IIBD CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 522544325 OXRLZYIMIKRQHS-FPOVZHCZSA-N 443.931 4.299 5 20 IIBD Cc1ccc(NC(=O)c2ccc(Oc3cccc(C(=O)NC[C@@H](C)O)c3)c([N+](=O)[O-])c2)cc1 522871248 GBTCGDMGWFQIJF-MRXNPFEDSA-N 449.463 4.058 5 20 IIBD COc1ccccc1-c1ccc([C@H](C)NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 525081287 LNZKZSFBUDQSMD-KRWDZBQOSA-N 447.491 4.268 5 20 IIBD CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 536523101 ZQILPSASYUSTHE-LJQANCHMSA-N 433.464 4.119 5 20 IIBD Cc1ccc(Sc2ccc(CN3CCC[C@H](N4CCNC4=O)C3)cc2[N+](=O)[O-])cc1 536652730 FXNSVPFLCQDRRH-SFHVURJKSA-N 426.542 4.044 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)Nc2c(F)cc(Cl)cc2F)cc1[N+](=O)[O-] 539192321 DBMBOAKNJDLWFS-UHFFFAOYSA-N 441.637 4.398 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnn(Cc3nc(-c4ccc(Br)s4)no3)c2)c1 539760121 WOAVWPOFFIBSMK-UHFFFAOYSA-N 432.259 4.381 5 20 IIBD COc1ccc(NC(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)cc1[N+](=O)[O-] 541101836 UWMDCSKQRLGAQU-UHFFFAOYSA-N 438.415 4.317 5 20 IIBD CCOC(=O)C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1C)c1cccc(Br)c1 541335352 LIVFKZPNRRVBDZ-MRXNPFEDSA-N 435.274 4.090 5 20 IIBD CCN(CC)CCn1c(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)nc2ccccc21 541585155 QTACOPWOOAGIQH-HNNXBMFYSA-N 427.480 4.168 5 20 IIBD COc1ccc(NC(=O)N[C@H](C)[C@@H](OC)c2ccc(Br)cc2)cc1[N+](=O)[O-] 542029758 UTEHIAQREDHPEU-PIGZYNQJSA-N 438.278 4.264 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 543174828 IMPIMIMWHLZXLA-AWEZNQCLSA-N 430.530 4.028 5 20 IIBD O=C1CCCN1c1ccc(-c2noc(-c3cc(Br)cc([N+](=O)[O-])c3)n2)cc1 545529674 IIAMSPAXXJTWRH-UHFFFAOYSA-N 429.230 4.201 5 20 IIBD COCCN([C@@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] 546070973 NMQWLYDECKOAHQ-AWEZNQCLSA-N 446.447 4.153 5 20 IIBD C[C@H](NC1(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CCOCC1)c1ccccc1 546560237 VRWBMOASVNJYDY-KRWDZBQOSA-N 443.519 4.028 5 20 IIBD COc1ccc(CC(=O)N2CC=C(c3cccc(Br)c3)CC2)cc1[N+](=O)[O-] 547230949 QKWIUZURIFITEW-UHFFFAOYSA-N 431.286 4.224 5 20 IIBD COc1cc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)CC2)ccc1F 549271787 QGSUOHYIXOHYFT-UHFFFAOYSA-N 433.505 4.205 5 20 IIBD CC(C)(NC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1)c1ccccc1[N+](=O)[O-] 553716009 PZKCIFAOGHKTEC-JOCHJYFZSA-N 445.475 4.202 5 20 IIBD Cc1ccc(I)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 560605462 UYFPLXAKMDXTIB-UHFFFAOYSA-N 448.163 4.362 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 561426650 RJWRYMHGWZEDCU-NRFANRHFSA-N 447.413 4.155 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N(Cc2cc(OC)ccc2OC)C(C)(C)C)cc1OC 574294636 RIPBGWQKIKCWKU-UHFFFAOYSA-N 446.500 4.460 5 20 IIBD Cc1cccn(Cc2c(F)cccc2NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1=O 576262172 WSYJDAGIFAXOMH-UHFFFAOYSA-N 438.459 4.309 5 20 IIBD CCCCOc1ccc(-c2nnc(NS(=O)(=O)c3cc(C)cc([N+](=O)[O-])c3C)o2)cc1 577582416 PITQJGWFWGUICT-UHFFFAOYSA-N 446.485 4.241 5 20 IIBD O=C(NC[C@H](c1ccccc1)C1CC1)c1ccc([N+](=O)[O-])cc1I 581447220 IZPBODDLOCRIRK-MRXNPFEDSA-N 436.249 4.123 5 20 IIBD CCn1c(SCC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)nnc1-c1cccc(C)c1 603902826 KBNHOIIRKDOWNW-OAHLLOKOSA-N 425.514 4.151 5 20 IIBD O=C(NC1CCN(Cc2ccccn2)CC1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 603922289 GVUCKEHANRWSEF-UHFFFAOYSA-N 432.480 4.177 5 20 IIBD COC1CCC(N(C)c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])CC1 609675125 WTSMYWJRMRMZAK-UHFFFAOYSA-N 447.557 4.406 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@@H](CCN(C)C)C(C)(C)C)cc1[N+](=O)[O-])c1ccccn1 609698613 GQHCIIVSILQQGU-KKSFZXQISA-N 427.549 4.259 5 20 IIBD Cc1nn(Cc2ccc(C(=O)Nc3ccc4c(cnn4C(F)F)c3)cc2)c(C)c1[N+](=O)[O-] 610961627 VDQGJLCRGMLBGG-UHFFFAOYSA-N 440.410 4.454 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CC[C@H](OCc2ccccn2)C1 611212179 MOQKGYKMJVKAIX-SFHVURJKSA-N 427.526 4.456 5 20 IIBD CCCC(=O)NC1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 611261199 IPRQKONUFFWJIQ-UHFFFAOYSA-N 447.539 4.328 5 20 IIBD COCCN1CCC[C@@H](NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 613505085 SWMPBYRDEBGIAU-MRXNPFEDSA-N 449.960 4.240 5 20 IIBD COc1ccc2c(c1)CC[C@@H](NC(=O)c1cc(F)cc3c(=O)c4cc(F)ccc4[nH]c13)C2 672950836 BGLORQRNRWWCTQ-QGZVFWFLSA-N 434.442 4.255 5 20 IIBD O=C(Nc1cccc(OS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1)c1ccccc1 725822772 IPYJLEUNWMCSQF-UHFFFAOYSA-N 432.841 4.268 5 20 IIBD Cc1csc(Sc2ccc(C(=O)OCc3nc4cccnc4[nH]3)cc2[N+](=O)[O-])n1 726367925 SQKZODIZOLRKTD-UHFFFAOYSA-N 427.467 4.139 5 20 IIBD COc1ccc(Cl)cc1CC(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 730032669 BYZCMHMXZHUBRY-SNVBAGLBSA-N 427.240 4.023 5 20 IIBD COc1ccc(COC(=O)c2oc(COc3ccc(C=O)cc3)cc2C)cc1[N+](=O)[O-] 730052211 WMQDWOAAADAZDD-UHFFFAOYSA-N 425.393 4.253 5 20 IIBD CC1(C)CN(C(=O)c2ccc(I)c([N+](=O)[O-])c2)[C@@H]1c1ccccc1 730485146 VYIJHHFJAZQDPX-MRXNPFEDSA-N 436.249 4.423 5 20 IIBD C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F 730634713 DIFVXLHNLNLUFB-SNVBAGLBSA-N 429.231 4.401 5 20 IIBD O=C(Cc1ccc(C(F)(F)F)cc1)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 730702467 GGEGCYKFXQHNCD-INIZCTEOSA-N 436.386 4.004 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 731269281 JRVCCSAOXTXCLY-PNHOKKKMSA-N 434.448 4.431 5 20 IIBD CCCOc1c(Cl)cc(C(=O)O[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC 731506271 UUAPPFPCYKLRQW-KRWDZBQOSA-N 448.859 4.008 5 20 IIBD C[C@@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])c1nc2ccc(Cl)cc2[nH]1 732568548 AMPXFKPQSGCVOJ-MRVPVSSYSA-N 430.820 4.294 5 20 IIBD O=C1[C@H](Nc2ccc(Oc3ccc(Cl)nn3)cc2)CCN1c1cccc([N+](=O)[O-])c1 733322731 SCQFXOHHEDADCO-QGZVFWFLSA-N 425.832 4.048 5 20 IIBD Cc1nc(-c2cnn(C)c2)sc1C(=O)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 734321261 UBDJWFSOTGSDDP-UHFFFAOYSA-N 431.905 4.470 5 20 IIBD COc1cc(COC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)c([N+](=O)[O-])cc1OC(F)F 734923722 RASBIPIVZHWHSU-QWRGUYRKSA-N 429.322 4.330 5 20 IIBD O=C(Nc1nc2ccsc2s1)c1cc([N+](=O)[O-])ccc1I 735462675 SYIBRQOHQHFCCZ-UHFFFAOYSA-N 431.236 4.123 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 740238245 VHUPDCDMDVGTHG-QGZVFWFLSA-N 443.868 4.334 5 20 IIBD CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 741979153 YHKWRTOIGBSNGC-UHFFFAOYSA-N 438.528 4.303 5 20 IIBD Cc1cc(F)c(S(=O)(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)cc1[N+](=O)[O-] 742029651 GIFMYBIQVVBPRS-UHFFFAOYSA-N 445.925 4.050 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2c[nH]cc2-c2ccc(Cl)s2)c([N+](=O)[O-])c1 744833032 VQGFMJUNYLWEDL-JTQLQIEISA-N 449.872 4.497 5 20 IIBD CCOc1ccc(-c2nc(COC(=O)Cc3cccc([N+](=O)[O-])c3)cs2)cc1OC 745330300 LRXNQEXMXIGLGJ-UHFFFAOYSA-N 428.466 4.412 5 20 IIBD CCOc1cc(C(=O)O[C@H](C)c2nc(-c3ccccc3C)no2)c([N+](=O)[O-])cc1OC 746059739 DTDBEGDYJAXHRB-CYBMUJFWSA-N 427.413 4.279 5 20 IIBD C[C@H]1CN(c2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@@H](C)O1 747389458 PRGIENOSYUBHQU-ZNMIVQPWSA-N 433.892 4.268 5 20 IIBD COc1cc(C(=O)N2CCN(c3ccc(C)c(C)c3)C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F 747889269 AORZWRRSZJXBBA-HNNXBMFYSA-N 449.454 4.173 5 20 IIBD CC(=O)Nc1cc(S(=O)(=O)Oc2ccc(Cc3ccccc3)cc2[N+](=O)[O-])ccc1F 748068867 QNQYOWJNCUTCBU-UHFFFAOYSA-N 444.440 4.051 5 20 IIBD Cc1c(Cl)cccc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 748950342 KRYKPUUBQFSPFP-GFCCVEGCSA-N 435.820 4.266 5 20 IIBD CC(C)(C)C(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 749140273 ACTFGEHTFFJNEN-UHFFFAOYSA-N 428.413 4.226 5 20 IIBD CC(=O)NC[C@@H](OC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccccc1 749214693 ZEHFGXKIBFBBNI-QMHKHESXSA-N 448.479 4.197 5 20 IIBD O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1ccc(OCC(F)(F)F)cc1 750426336 BPBFVZWGXCTULP-UHFFFAOYSA-N 439.390 4.004 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)N(Cc2csc(Br)c2)C2CC2)cc1[N+](=O)[O-] 752634315 FLOLGVGODLONEQ-UHFFFAOYSA-N 440.275 4.440 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC[C@@H]1c1ccccc1Br 756197011 ULYQPDWDPDOXTL-CQSZACIVSA-N 429.267 4.022 5 20 IIBD CC[C@H](NC(=O)COC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(Cl)cc1 758729892 DHJNHFWDSFSTGE-SFHVURJKSA-N 429.860 4.083 5 20 IIBD Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 760072512 UKUJRDWRNKMGCE-INIZCTEOSA-N 430.896 4.263 5 20 IIBD CSc1nc(C(C)(C)C)nc(C)c1C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 761539766 CFJLBKRGOODKKH-UHFFFAOYSA-N 443.485 4.120 5 20 IIBD C[C@@H](C(=O)N(CCNC(=O)OC(C)(C)C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 762268155 CTHKNRMAGICJMG-QGZVFWFLSA-N 427.501 4.252 5 20 IIBD O=C(O[C@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc([N+](=O)[O-])c2cccnc12 766233904 UJXYEONXLJMWHV-SFHVURJKSA-N 425.828 4.149 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN3CCCC[C@H]3C3OCCO3)o2)c(Br)c1 769297867 MCTZWMBIUNTFCT-KRWDZBQOSA-N 437.290 4.345 5 20 IIBD CC(C)n1ncc2cc(S(=O)(=O)Oc3ccc([N+](=O)[O-])cc3Br)ccc21 769419616 MCMHYACKFMDLNL-UHFFFAOYSA-N 440.275 4.056 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 769895028 JILHUYLIYQEYRM-OXJNMPFZSA-N 438.933 4.345 5 20 IIBD O=[N+]([O-])c1ccc(N2CCC(NCCc3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 772962993 HSHHPZZTOWCWQY-UHFFFAOYSA-N 427.892 4.099 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccc(S(=O)(=O)Cc3ccccc3)cc1)CC2 773997050 ONHFZOJMPMPVPE-UHFFFAOYSA-N 436.489 4.080 5 20 IIBD O=C(Nc1ccccc1NS(=O)(=O)c1ccccc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 778251829 LEVHHBRKKYGRMF-UHFFFAOYSA-N 447.419 4.126 5 20 IIBD CN(C(=O)OC(C)(C)C)c1ccc(OC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)cc1 778288929 KZOFGFBCGHXUAO-UHFFFAOYSA-N 430.442 4.190 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(Cc2ccc(Cl)nc2)CC1 779947537 MXCDVNQDUATHMN-UHFFFAOYSA-N 434.949 4.103 5 20 IIBD COC(=O)c1ccc([C@H](C)OC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)o1 781258202 RJDOQBYUCFJNFK-JTQLQIEISA-N 427.359 4.257 5 20 IIBD CC(C)(C)[S@](=O)Cc1cccc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 781640725 CNDLUFIAIOYIDF-SSEXGKCCSA-N 433.486 4.122 5 20 IIBD C[C@@H](OC(=O)c1ccc(I)c([N+](=O)[O-])c1)c1nc2ccccc2o1 781824050 AOPDAXJNEHUQGW-SECBINFHSA-N 438.177 4.259 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1 784400452 MCMXVXQYMFQJTJ-UHFFFAOYSA-N 443.887 4.093 5 20 IIBD CCC[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br 784705413 YGTPEZXZDUERMU-JSGCOSHPSA-N 426.311 4.079 5 20 IIBD Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cccc(OCCNC(=O)OC(C)(C)C)c2)c1F 790447069 WBPHTRKSPOEUDI-UHFFFAOYSA-N 433.436 4.198 5 20 IIBD CC(C)N1CCN(CCCOC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC1 792088125 JOGVSEGIGDJLQK-UHFFFAOYSA-N 435.590 4.202 5 20 IIBD Cc1ccc(C)n1C1CCN(C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 793003655 VEYGTFMBPPPBJF-UHFFFAOYSA-N 426.517 4.113 5 20 IIBD CC(C)(C)OC(=O)NCC1CCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC1 798287119 UQYXQIMPUYEEOP-UHFFFAOYSA-N 440.500 4.034 5 20 IIBD COc1cc(C)c(CN(C)S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cc1OC 809806738 SIANYLSPKXZFMQ-UHFFFAOYSA-N 449.312 4.048 5 20 IIBD CNC(=O)c1cc(Oc2ccc(NC(=S)Nc3ccc([N+](=O)[O-])cc3)cc2F)ccn1 811713798 JSGKAMHYPFLCLM-UHFFFAOYSA-N 441.444 4.090 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)C1=Cc2cc(Br)ccc2OC1 811721921 BXLYACHLBTXSLH-UHFFFAOYSA-N 439.287 4.095 5 20 IIBD NC(=O)c1cc(Oc2cccc(OCc3ccc(Br)c([N+](=O)[O-])c3)c2)ccn1 814266235 ZNUHWSPKSLRHGB-UHFFFAOYSA-N 444.241 4.223 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccc(N2CCCOC2=O)cc1 814356377 WRJDSMXYLPGCGI-GFCCVEGCSA-N 448.273 4.195 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)C1 814432780 TWYCIHLGFHCZSI-MOPGFXCFSA-N 431.533 4.023 5 20 IIBD O=C(COC(=O)c1cnc(OC2CCCCC2)c(Cl)c1)Nc1ccccc1[N+](=O)[O-] 815302175 HRCHMFQLEBOJBL-UHFFFAOYSA-N 433.848 4.150 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 816041310 KQMCXAOYGPNHNJ-OCCSQVGLSA-N 443.422 4.228 5 20 IIBD C[C@@H](c1ccc(F)cc1)N1CCC[C@H](OC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1=O 816405768 XAOURHDADQNZAB-RBZFPXEDSA-N 425.416 4.124 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC(O)(c2ccccc2Cl)CC1 816494427 KXVKDVMJQHSOSP-UHFFFAOYSA-N 428.794 4.391 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC12CCC2 816849959 LTGVOWNKOOFDJG-OAHLLOKOSA-N 429.473 4.393 5 20 IIBD COC(=O)c1cc(C(=O)OCc2cc(Cl)c(OC(F)F)c(OC)c2)cc([N+](=O)[O-])c1 892083226 GDWCUAPVZDVDCT-UHFFFAOYSA-N 445.758 4.002 5 20 IIBD CCCN(Cc1c(F)cccc1Cl)C(=O)COc1cc([N+](=O)[O-])c(C=O)cc1OC 915663683 PDFVOMWIXYZHLS-UHFFFAOYSA-N 438.839 4.026 5 20 IIBD O=C(NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1sc2cc(F)ccc2c1Cl 915819152 QYVPCHXQSOJNJO-UHFFFAOYSA-N 449.268 4.374 5 20 IIBD O=C(Oc1ccc(Cl)c(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 916561264 LPOQAYRMMVKEKC-UHFFFAOYSA-N 430.766 4.323 5 20 IIBD CC(C)(C)c1cc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)n(-c2ccc(F)cc2)n1 917164890 MHUNDVCDYFLYMZ-UHFFFAOYSA-N 436.447 4.206 5 20 IIBD Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C 917742012 NIQCJRCFKWJCMF-HZPDHXFCSA-N 438.528 4.340 5 20 IIBD CSc1ccc(C(=O)OCC(=O)NCCc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] 918816368 QOAMNDBUZRPDEM-UHFFFAOYSA-N 443.308 4.139 5 20 IIBD CCc1ccc([C@H](NC(=O)COC(=O)c2ccc([N+](=O)[O-])s2)c2cccs2)cc1 918825860 CMNUYYMPBXCNIO-IBGZPJMESA-N 430.507 4.343 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@@H](C)Oc1cccc(C(C)(C)C)c1 919406128 DVFSBFZWNLPHHO-HUUCEWRRSA-N 444.484 4.239 5 20 IIBD COc1ccc([C@@H]2CCCCCN2C(=O)COC(=O)c2ccc([N+](=O)[O-])cc2F)cc1 919568409 QUTNHMOZSVEZOJ-FQEVSTJZSA-N 430.432 4.043 5 20 IIBD Cc1nn(C)cc1CCC(=O)N(CC(C)C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 1254152231 CQODVYKVPAZZNM-UHFFFAOYSA-N 427.530 4.382 5 20 IIBD Nc1c(C(=O)N2CCC(CCc3ccc(O)cc3)CC2)cc(Br)cc1[N+](=O)[O-] 1256684920 DZICRHFUHAILJS-UHFFFAOYSA-N 448.317 4.130 5 20 IIBD CC(C)c1ccc(C2(C(=O)OCC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)CCC2)cc1 1318092038 JDCJZXGYQVMVBH-UHFFFAOYSA-N 440.452 4.051 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2c2nnc(COc3ccc(Cl)cc3)o2)ccc1[N+](=O)[O-] 1326092613 WMQSKFNERQUNCP-GOSISDBHSA-N 442.859 4.496 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)c1nnc(-c2cc(F)ccc2Br)o1 1328447720 UWBIXTWHBIWJGR-GFCCVEGCSA-N 439.245 4.152 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 1343983962 WUFCXJMVMZTNGH-VCSGRIEYSA-N 425.554 4.389 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3cnn(C4CCCC4)c3C)CC2)ccc1[N+](=O)[O-] 1344596532 PKUZGCWRULJUEU-UHFFFAOYSA-N 442.516 4.439 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)Nc1ccc(C2(NC(=O)C3(F)CC3)CCC2)cc1 1790772468 SLCMQIIAPLSYBL-UHFFFAOYSA-N 429.423 4.292 5 20 IIBD CC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CCCCC1 1793081208 XYXQCOLKGOGIAP-REPLKXPHSA-N 447.963 4.399 5 20 IIBD Cc1cccc(C)c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc([N+](=O)[O-])o2)n[nH]1 1814312159 XSXLVZAXKAQSNJ-MRXNPFEDSA-N 437.456 4.147 5 20 IIBD Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)CC2)o1 1824680855 YNIQTXZRFPRSLG-MBNRZODZSA-N 441.484 4.036 5 20 IIBD O=[N+]([O-])c1cc2c(c(CSc3nnc(-c4ccccc4F)n3C3CC3)c1)OCOC2 9636909 QCSXEBJJKRVQOG-UHFFFAOYSA-N 428.445 4.486 5 20 IIBD C[C@H](OC(=O)c1ccccc1COc1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 10852873 UAFFUKBIMDVWEQ-HNNXBMFYSA-N 438.411 4.497 5 20 IIBD COc1cc(CCNC(=O)N(Cc2ccco2)Cc2cccs2)c([N+](=O)[O-])cc1OC 17698057 NWSQTTYPMIBXNK-UHFFFAOYSA-N 445.497 4.221 5 20 IIBD C[C@@H](OC(=O)/C=C/c1cccc(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 21347230 UIUYPRRXWJBKAG-AYLMVEPYSA-N 426.322 4.336 5 20 IIBD COc1ccccc1NC(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)cc1 21587787 AQSRAORCHFMJEX-UHFFFAOYSA-N 435.436 4.182 5 20 IIBD Cc1noc(C)c1CSc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] 23709267 ZACDVFPBZRQATK-UHFFFAOYSA-N 425.532 4.057 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)NCCC(c1ccccc1)c1ccccc1 26114968 PBTUCBCNEYEOFC-UHFFFAOYSA-N 432.476 4.398 5 20 IIBD COc1ccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1OCc1cccnc1 32665475 DPOSUOHJYXXWLB-UHFFFAOYSA-N 445.435 4.015 5 20 IIBD O=C(N[C@@H](COc1ccccc1F)c1ccccc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 71931413 SIIVCKFQSQLCMS-QFIPXVFZSA-N 446.438 4.470 5 20 IIBD COc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 110855029 UCHAWJYJGUXIHJ-HNNXBMFYSA-N 430.404 4.148 5 20 IIBD COc1ccc(-c2ccc(CN[C@@H](CN3CCCC3=O)c3ccccc3)o2)c([N+](=O)[O-])c1 237424071 RDDIXXLZZSUGGZ-NRFANRHFSA-N 435.480 4.317 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CN(C)c1ccc([N+](=O)[O-])c(OC(F)F)c1 301373805 UTCWREVOMZRSPO-UHFFFAOYSA-N 444.232 4.342 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCC[C@H](c2nc3c(s2)CCCC3)C1 301701518 DQPWOANOHQDNKI-LBPRGKRZSA-N 446.485 4.009 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 302674910 TYJSSHMJIFWVGC-CQSZACIVSA-N 445.324 4.353 5 20 IIBD CC(C)n1c(CCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)nc2ccccc21 303744280 FNKCYWWDODANGO-UHFFFAOYSA-N 435.528 4.101 5 20 IIBD Cc1cc(=O)c(C(=O)N[C@H](C)c2cc3ccccc3s2)nn1-c1ccccc1[N+](=O)[O-] 410308002 NFNNROCGLPOCLR-CQSZACIVSA-N 434.477 4.155 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cc(-c3cc4ccccc4s3)[nH]n2)cc1[N+](=O)[O-] 432482339 GDGMPWBDAGUOKT-UHFFFAOYSA-N 430.467 4.009 5 20 IIBD COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CC2 432572581 JXSWFKALBJVRKZ-QHCPKHFHSA-N 434.448 4.106 5 20 IIBD O=C(CN1CCC2(CCN(Cc3ccccc3)CC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] 433169395 RDXFDLWMRQTUOC-UHFFFAOYSA-N 442.947 4.175 5 20 IIBD Cc1csc([C@@H](C)CNc2ccc([N+](=O)[O-])c(NC[C@H](C)c3nc(C)cs3)n2)n1 433770581 GXFGCWCJWIHUBG-RYUDHWBXSA-N 432.575 4.951 5 20 IIBD CN(CCc1ccccc1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435481281 RSQOWLUCZRGQAU-UHFFFAOYSA-N 441.534 4.447 5 20 IIBD O=C(c1ccccc1O)N1CCC(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 436713113 AWPVVYWQFFTSAO-UHFFFAOYSA-N 437.521 4.423 5 20 IIBD CCN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@H](Cc1ccc(F)cc1)C(C)C 437102601 GWELIXVBLKCKQH-HXUWFJFHSA-N 425.464 4.044 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437480994 XXXHPEDMHVUNJJ-UHFFFAOYSA-N 427.460 4.254 5 20 IIBD Cc1c(Br)cc(S(=O)(=O)Nc2nc3c(C)cccc3s2)cc1[N+](=O)[O-] 438790453 KOVKCZGWCNZAGI-UHFFFAOYSA-N 442.316 4.385 5 20 IIBD COc1ccc(Cl)c(NS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1 438819466 PDAZZUNZGKBZDC-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD O=C(CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1ccc(Oc2ccccc2)cc1 444253262 SZZBKHPOUQWYQU-IBGZPJMESA-N 447.495 4.297 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(Cc3nc(O)c4c(-c5ccccc5)csc4n3)no2)cc1O 445210341 MJFMRWWOLYKIBP-UHFFFAOYSA-N 447.432 4.319 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(Cc3c(C)nn(-c4ccc(F)cc4)c3C)n2)c1 445584494 OJMAUMYPXAHWLB-UHFFFAOYSA-N 437.431 4.110 5 20 IIBD COc1cc(Cc2noc(CCC(=O)c3cc(C)ccc3C)n2)c([N+](=O)[O-])c(OC)c1 445816057 RVUQRYJDYPUDPM-UHFFFAOYSA-N 425.441 4.018 5 20 IIBD C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 446041808 FKOLOSGSFHGDIH-INIZCTEOSA-N 446.345 4.195 5 20 IIBD CCN(C(=O)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)ccc1Cl)C(C)C 447277678 JEAKMASGNAEKNY-UHFFFAOYSA-N 445.950 4.289 5 20 IIBD CN1CC[C@H](CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)[C@@H]1c1ccc(Cl)c(F)c1 447586053 LCQQSXXSOIVZDK-FEGHXTNJSA-N 435.931 4.350 5 20 IIBD O=C(Nc1ccccc1)[C@H]1CCCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 447667762 FQXHTVPJAUVVOR-LBPRGKRZSA-N 444.360 4.499 5 20 IIBD O=C(NC1CC1)c1cc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nc2ccccc12 462942822 CEHPMEDEJNYDPD-UHFFFAOYSA-N 432.480 4.083 5 20 IIBD C[C@@H](NCc1c(F)cccc1[N+](=O)[O-])c1ccc(Br)cc1OCCCO 463366073 IHXUQTFSEUZKTH-GFCCVEGCSA-N 427.270 4.108 5 20 IIBD O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1cc(Br)cc2cccnc12 463955904 SMTUQJPTQXCYDN-UHFFFAOYSA-N 438.241 4.344 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O 464718172 CDIXGLLTETYPJO-UHFFFAOYSA-N 446.385 4.283 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c(-c2cnn(C)c2)nc2ccccn12 465234259 WFPVIEDVMPVAEB-UHFFFAOYSA-N 433.472 4.086 5 20 IIBD CS(=O)(=O)c1ccc(N2CCC[C@@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)c([N+](=O)[O-])c1 469066809 WUYOMBIKDTUNGJ-GOSISDBHSA-N 446.916 4.383 5 20 IIBD COCCC[C@@H](Cc1ccccc1)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 471316155 WGNFGVSCSCGERO-NRFANRHFSA-N 428.532 4.309 5 20 IIBD Cc1cc(-c2noc([C@H](C)NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)ccc1F 472381734 MPPCYDKTHMWCGJ-STQMWFEESA-N 430.461 4.450 5 20 IIBD Cc1cc(C(=O)N[C@H](C)c2nc(-c3ccc(Br)cc3)no2)cc([N+](=O)[O-])c1 472602666 QRWBVHZEIGCFLJ-LLVKDONJSA-N 431.246 4.207 5 20 IIBD COc1c(C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cccc1[N+](=O)[O-] 475757146 LEZSNJHYYFNUKF-UHFFFAOYSA-N 438.311 4.305 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] 480195384 VGNUBRQTNCDGSZ-AWEZNQCLSA-N 445.541 4.193 5 20 IIBD CCCNc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1I 480549916 GDRYZSIINDJSOT-UHFFFAOYSA-N 425.226 4.274 5 20 IIBD Cc1ccc(-c2csc3nc(SCCn4ccc([N+](=O)[O-])n4)n(C)c(=O)c23)cc1C 481240287 HJALBOLMOJINSS-UHFFFAOYSA-N 441.538 4.176 5 20 IIBD CC[C@@H](CN(CC)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccccc1 482258344 BXBLZCGWWUFFLV-KRWDZBQOSA-N 425.485 4.325 5 20 IIBD COc1cc(C(=O)N(CCC(=O)O)C(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 485314459 FMOPJXBEIRXUAV-UHFFFAOYSA-N 436.848 4.374 5 20 IIBD O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 486087398 JXVAXUIKGLTLPZ-AUSIDOKSSA-N 435.524 4.263 5 20 IIBD CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 486712701 HOXHBDGCIMVQFK-HZPDHXFCSA-N 427.526 4.123 5 20 IIBD Cc1ccc2c(c1)SCCCN2S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 488427048 XBGMQTSMPLHNGV-UHFFFAOYSA-N 443.344 4.357 5 20 IIBD COC(=O)[C@H](C)Cc1ccc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 488730490 ZZHCEOBFHKLMRZ-GFCCVEGCSA-N 439.390 4.287 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1cccn(Cc2ccccc2)c1=O 488958114 WDHIADHKLAKSDI-UHFFFAOYSA-N 446.385 4.145 5 20 IIBD Cc1cc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)ccc1F 491407432 DXXRAJGLSVODRL-UHFFFAOYSA-N 426.370 4.415 5 20 IIBD CN(C[C@H]1CCOC1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 494959836 NOKPKCHSMNFCEO-KUHUBIRLSA-N 448.317 4.005 5 20 IIBD CC[C@H](C(=O)N1CCC(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1)c1ccccc1 498283436 RMDBDSDCJKPMGE-IBGZPJMESA-N 446.507 4.058 5 20 IIBD Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C2)cc1 499496300 LBIKCCHBTKWFIE-HNNXBMFYSA-N 435.402 4.413 5 20 IIBD CC(C)N(Cc1ccc(Br)cc1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] 500650176 UBCMQLLXYTWAGF-UHFFFAOYSA-N 441.347 4.140 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N1CCC[C@@H](CO)C1 501774990 WBNDHVTZWCHCKJ-YPOUMIDOSA-N 437.521 4.366 5 20 IIBD Cc1c(C(=O)N[C@@H](COc2ccccc2)c2ccccc2)nnn1-c1cccc([N+](=O)[O-])c1 502367834 DRAFJHLIAZHZIT-QFIPXVFZSA-N 443.463 4.034 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN([C@@H](C)c2ccccc2F)C1=O 505404895 VXJXVNSKYZUTGL-LIRRHRJNSA-N 445.516 4.328 5 20 IIBD CC(=O)Nc1ccc(CCNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1 505718634 FJUYGXNIJGHHBF-UHFFFAOYSA-N 432.480 4.138 5 20 IIBD COc1ccc(S(=O)(=O)N[C@@H](C)c2sc(-c3ccccc3)nc2C)c([N+](=O)[O-])c1 507280046 NPBZCEQSTSQQPQ-ZDUSSCGKSA-N 433.511 4.075 5 20 IIBD O=C(NCCc1cccs1)C1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 512360567 ZEPYWIKFFXACBK-UHFFFAOYSA-N 439.537 4.487 5 20 IIBD C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 512529798 WBBJGKJGOWSPLW-IRXDYDNUSA-N 447.495 4.151 5 20 IIBD COc1c(Cl)cc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1Cl 513870353 YDVMIUIIPRDSFJ-UHFFFAOYSA-N 425.272 4.264 5 20 IIBD Cc1cc(C)n(Cc2cccc(-c3noc(-c4cnn(-c5ccc([N+](=O)[O-])cc5)c4)n3)c2)n1 517628810 XIECYMARDGJREK-UHFFFAOYSA-N 441.451 4.359 5 20 IIBD O=C(N[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 520311903 PYEWPBGIQNFRKL-CQSZACIVSA-N 443.809 4.407 5 20 IIBD Cc1cc(COc2ccc(C(=O)NCc3ccccc3[N+](=O)[O-])cc2Br)on1 520735313 XFIXIEVKFDUZBR-UHFFFAOYSA-N 446.257 4.163 5 20 IIBD COCc1ccc([C@@H]2CCCN2Cc2cc(I)cc([N+](=O)[O-])c2)o1 520896586 QHVKBWZYCHTMKD-INIZCTEOSA-N 442.253 4.276 5 20 IIBD O=C1NC2(CCCC2)C(=O)N1c1cccc(CNc2ccc3cc([N+](=O)[O-])ccc3n2)c1 521322831 MJRIIKNJJFLPJK-UHFFFAOYSA-N 431.452 4.124 5 20 IIBD COc1cc(CCNC(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)c([N+](=O)[O-])cc1OC 522777060 QSBXIUSMYCFTDX-UHFFFAOYSA-N 442.472 4.415 5 20 IIBD Cc1ccc(Cl)cc1N1CC[C@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 523298220 VCRQCTXDYRILLI-OAHLLOKOSA-N 428.920 4.387 5 20 IIBD COc1ccc([C@@H](NC(=O)COc2ccc(Br)cc2[N+](=O)[O-])C(C)C)cc1 525114430 WELVFFBYJDLGSJ-IBGZPJMESA-N 437.290 4.258 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 530779881 WFMPWUJUTUIDFF-UHFFFAOYSA-N 426.498 4.270 5 20 IIBD COC(=O)c1csc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c1 532367253 JPWTYXTWJAHGBY-UHFFFAOYSA-N 441.252 4.188 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 534658431 LCKHFHQXOCGDEU-VWLOTQADSA-N 432.524 4.133 5 20 IIBD CC(C)c1ccccc1NC(=O)C[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 534796135 IWFTWSUWWPQNAU-SSEXGKCCSA-N 427.482 4.261 5 20 IIBD CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(Cn2c([N+](=O)[O-])cnc2C)cs1 535130836 NYTFULGVJQWCGC-UHFFFAOYSA-N 425.392 4.308 5 20 IIBD O=[N+]([O-])c1cnn(CCNCc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)c1 539523731 XJDXAYDETMIFOX-UHFFFAOYSA-N 442.479 4.239 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N(CCc1ccc(Cl)cc1)CC1CC1 539543049 HBAZSZDCFDAMNB-UHFFFAOYSA-N 443.931 4.180 5 20 IIBD O=[N+]([O-])c1cc2ccccc2nc1N1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 541065294 NGMLZBINSFMAJD-UZUQRXQVSA-N 428.452 4.146 5 20 IIBD CC(C)[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccncc2)no1 541288273 HKMQAKDWXDTAAW-QGZVFWFLSA-N 447.904 4.299 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)NC(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)n2)cc1F 541926231 CGERDPXATZAHMA-SNVBAGLBSA-N 436.346 4.185 5 20 IIBD COCC[C@@H](N[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccco1 542529385 AUHUCVSHEXQMLN-CZUORRHYSA-N 430.486 4.006 5 20 IIBD CC(C)n1c([C@H]2CCCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)nc2ccccc21 544071140 OOBNGKVEKFIUBP-RBUKOAKNSA-N 438.528 4.145 5 20 IIBD COc1ccc(Br)c(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)c1 545145365 GHPHFPKOGOUIHX-UHFFFAOYSA-N 429.230 4.488 5 20 IIBD O=[N+]([O-])c1ccc(-n2cc(-c3nc(-c4ccc(OC5CCOCC5)cc4)no3)cn2)cc1 545795097 SGOQSKHOKGAQSD-UHFFFAOYSA-N 433.424 4.055 5 20 IIBD O=c1ccc(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)cn1-c1cccc(F)c1 547264816 OCCJZUXRXIWGLX-UHFFFAOYSA-N 431.383 4.007 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N3CCO[C@@H](COC(C)C)C3)cc2[N+](=O)[O-])cc1 547784810 BDNOKQLRRWWRCE-GOSISDBHSA-N 430.526 4.320 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c1 549036291 PTKRGCNOLLFZRB-OAHLLOKOSA-N 440.431 4.202 5 20 IIBD Cn1ccnc1[C@@H](Nc1ccc(NC(=O)CC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 549407751 JMMCDDQOZAWHTB-SFHVURJKSA-N 433.390 4.421 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCCC4(CCCCC4)C3)n2C[C@@H]2CCOC2)c1 550097996 VURRISGTOKBIMQ-SFHVURJKSA-N 425.533 4.441 5 20 IIBD O=C(CN1CCC[C@@H]1c1ccc(Br)cc1)N1CCc2ccc([N+](=O)[O-])cc21 550332385 CKIHTFMHJJEFFU-GOSISDBHSA-N 430.302 4.084 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](NCc1cnc2n1CCCC2)c1ccccc1 551372791 HKGGOISNPZKROR-OAQYLSRUSA-N 439.903 4.251 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H]2CCSc3c(F)cccc32)cc1[N+](=O)[O-] 551401614 JDDZBQSNMGLRMI-MRXNPFEDSA-N 431.489 4.323 5 20 IIBD CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 551767626 CTELKBQGJATAAP-YJYMSZOUSA-N 447.919 4.377 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccc(I)cc1Cl 552264440 JRUKSDAEIOIGEH-UHFFFAOYSA-N 444.656 4.168 5 20 IIBD O=[N+]([O-])c1cc2c(N3CCC[C@H](Nc4cccc(Br)c4)C3)ncnc2s1 553230336 XQQNONQUVVDNOF-ZDUSSCGKSA-N 434.319 4.443 5 20 IIBD NC(=O)c1cccc(N2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)c1[N+](=O)[O-] 553385992 LCTHPHBYBCMZTB-UHFFFAOYSA-N 449.442 4.040 5 20 IIBD COc1ccc(CNC(=O)N[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)cc1[N+](=O)[O-] 557792176 XYTLNGVJCLWNNJ-SFHVURJKSA-N 439.390 4.453 5 20 IIBD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 560755717 HBAWVYQZPPEVPE-DEOSSOPVSA-N 448.548 4.457 5 20 IIBD CCc1onc(-c2ccc(Br)cc2)c1-c1nc(-c2c([N+](=O)[O-])ncn2C)no1 565139499 LEBWVMWKLLNJAB-UHFFFAOYSA-N 445.233 4.025 5 20 IIBD CC(C)(C)CCOc1cnccc1CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 576381174 UMTDZZMVZFTATB-UHFFFAOYSA-N 438.484 4.048 5 20 IIBD O=C(c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)N1CCC[C@H](O)CC1 581830611 WXMBBMPORHDUFI-AWEZNQCLSA-N 429.523 4.343 5 20 IIBD COc1cccc([C@@H](C)c2noc([C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)c1 589112714 UVUMOFICQIWKKR-QRWLVFNGSA-N 436.468 4.424 5 20 IIBD O=C(Cc1cnn(-c2ccccc2)c1)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 591741369 STPGAZNMOAIROB-UHFFFAOYSA-N 426.432 4.193 5 20 IIBD Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cccc1-n1cnnn1 600706400 FUQJBTYIPIYYSH-UHFFFAOYSA-N 432.465 4.282 5 20 IIBD CN(Cc1ccc(Br)cc1F)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] 600853930 YNTCLYIISDNGJM-UHFFFAOYSA-N 447.264 4.097 5 20 IIBD COc1cc(CCNC(=O)Nc2ccccc2N2CCCCCC2)c([N+](=O)[O-])cc1OC 603659433 HBNAMJJYJNJAAU-UHFFFAOYSA-N 442.516 4.357 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)cc1OC 603975148 KKHLJOBMKPIGAR-UHFFFAOYSA-N 435.864 4.046 5 20 IIBD COc1ccc(C(C)=O)cc1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 603997318 ULGSTLGSUWOPOZ-UHFFFAOYSA-N 425.466 4.419 5 20 IIBD O=C1NC2(CCCCC2)C(=O)N1CCCNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 608835675 IPBIMPFPZXMNOB-UHFFFAOYSA-N 442.541 4.058 5 20 IIBD COc1ccc(NC(=O)c2ccc([N+](=O)[O-])n2C)cc1OCc1ccc2ccccc2n1 609066106 HYIHBFIZQXFIPY-UHFFFAOYSA-N 432.436 4.321 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(CCNCc2ccc(C(C)C)c([N+](=O)[O-])c2)s1 609222865 MDTDYPRDRDPGLU-UHFFFAOYSA-N 439.603 4.143 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 609320249 UAKIBPJQSWDMOP-MRXNPFEDSA-N 449.287 4.111 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@@H](N3CCCC3)C2)cc1 609345781 CLHCTXLKJBFTGX-GOSISDBHSA-N 425.485 4.096 5 20 IIBD CC(C)Cc1ccc([C@@H](NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C2CC2)cc1 609392615 HNFQHZCPJBIKBL-JOCHJYFZSA-N 443.931 4.444 5 20 IIBD O=C1CCCC[C@H]1[C@@H]1CCCCCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 610886516 NYNDDGNLLBBDHR-PMACEKPBSA-N 427.545 4.342 5 20 IIBD O=C(COC(=O)c1ccc(OCc2ccccc2)nc1)Nc1cc(Cl)ccc1[N+](=O)[O-] 725981491 LSHLBWSUTMTVDJ-UHFFFAOYSA-N 441.827 4.018 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccc(-c2ccsc2)nc1C 726230536 JGGHQWQAYWOHIM-CYBMUJFWSA-N 441.465 4.219 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCc2c(ccc(Cl)c2Cl)C1 726314770 HPRYKVILPHDSNO-UHFFFAOYSA-N 428.659 4.078 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OCc2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] 726673689 FDRBLDXFLYGWOJ-GOSISDBHSA-N 436.386 4.270 5 20 IIBD O=C1CN(CN2CCC[C@@H]2c2ccccc2C(F)(F)F)C(=O)N1c1cccc([N+](=O)[O-])c1 728049092 DGKSEWZYHCUHNA-GOSISDBHSA-N 448.401 4.177 5 20 IIBD CCc1ccc(-c2nc(COC(=O)COc3ccc(C=O)cc3[N+](=O)[O-])cs2)cc1 731733152 BLHMEGMHOLGLIB-UHFFFAOYSA-N 426.450 4.215 5 20 IIBD COc1ccc(-c2nnc(SCC(=O)OCc3ccc(Cl)cc3[N+](=O)[O-])o2)cc1 734882513 WBJRCJOMZUXKND-UHFFFAOYSA-N 435.845 4.142 5 20 IIBD COC(=O)NCc1ccc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1 735258848 VFZRETSGYSQHGZ-HZPDHXFCSA-N 440.500 4.185 5 20 IIBD O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccccc1COc1ccccc1 735336119 DYNNTRBJCNVHCR-UHFFFAOYSA-N 448.431 4.329 5 20 IIBD O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1sc(N2CCCC2)nc1Cl 735445744 XBWONPLPRUTMRK-UHFFFAOYSA-N 434.861 4.317 5 20 IIBD COc1cccc(-n2ccnc2SCC(=O)OCc2ccc(Cl)c([N+](=O)[O-])c2)c1 735901643 AFTBCCLTBQJDSJ-UHFFFAOYSA-N 433.873 4.278 5 20 IIBD CSc1ccc(C(=O)Nc2ccc(N3CCC(CN(C)C)CC3)cc2)cc1[N+](=O)[O-] 737672259 UPGFPYGXGIZMQB-UHFFFAOYSA-N 428.558 4.347 5 20 IIBD COc1ccc(-n2c(NC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)nc3ccccc32)cc1 741991727 SUBLCYHKDPEIBU-UHFFFAOYSA-N 447.407 4.411 5 20 IIBD CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 742418653 TVBZLASJCOUADZ-LPHOPBHVSA-N 446.548 4.326 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 742506255 GITCOGRVVKMASL-HXUWFJFHSA-N 442.516 4.328 5 20 IIBD O=C(Nc1cc(F)c(F)cc1I)c1cc([N+](=O)[O-])ccc1Cl 744380954 FMWNYFWDPIRZHI-UHFFFAOYSA-N 438.555 4.383 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(N3CCCC3)c(F)c2)c(C(F)(F)F)c1 746590630 BYQUFCPNJBQGTD-UHFFFAOYSA-N 433.383 4.154 5 20 IIBD COc1cccc(-c2nc(COC(=O)Cc3cccc([N+](=O)[O-])c3C)cs2)c1OC 748479164 WFYUCRBXKOHWSA-UHFFFAOYSA-N 428.466 4.330 5 20 IIBD O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 748609043 AAJOFUZIWWBMDI-UHFFFAOYSA-N 435.337 4.463 5 20 IIBD O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1C[C@@H]1c1ccc(Br)cc1 748904622 UJPDQDPSHBQZLA-CVEARBPZSA-N 444.241 4.254 5 20 IIBD O=C(OCCCOc1ccc([N+](=O)[O-])cc1)c1nc(C2CC2)n(-c2ccccc2Cl)n1 748938329 MOCGELRNDISQGN-UHFFFAOYSA-N 442.859 4.332 5 20 IIBD CC(C)(C)OC(=O)NCCCOC1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 749102995 UIATULIEIFOENG-UHFFFAOYSA-N 430.505 4.043 5 20 IIBD CCOCc1ccccc1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 749411433 VYNJNVUXJHYLMQ-UHFFFAOYSA-N 427.682 4.477 5 20 IIBD C[C@H](OC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)N(C)c1ccccc1 750503636 CYRBAUVIWUOITR-ZDUSSCGKSA-N 439.390 4.010 5 20 IIBD O=C(N[C@H](Cn1cccn1)c1ccccc1)c1cc(Br)cc([N+](=O)[O-])c1Cl 750885799 CGYKTGCCKAUFCK-OAHLLOKOSA-N 449.692 4.379 5 20 IIBD O=C(Nc1ccc(Oc2ccccc2)cc1)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 751208078 ZCJOPKVLVRLLCK-UHFFFAOYSA-N 437.364 4.319 5 20 IIBD Cc1ccc([C@@H](NC(=O)COC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])c2cccs2)cc1 752556762 GSBZJSWEBLITGS-HXUWFJFHSA-N 442.468 4.475 5 20 IIBD CCOc1cc(COC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](C)CC)ccc1[N+](=O)[O-] 755550131 UVQJHGKOPBBFQU-KKSFZXQISA-N 440.496 4.036 5 20 IIBD O=C(N[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1)c1cc2ccccc2o1 755581783 DHTOZYQJHMTCMJ-CQSZACIVSA-N 427.844 4.029 5 20 IIBD CCn1c(COC(=O)Cc2ccc([N+](=O)[O-])cc2Br)nc2c(F)cccc21 756525307 HWUYQKRIGKJPAS-UHFFFAOYSA-N 436.237 4.152 5 20 IIBD Cc1c(C(=O)Nc2ccc3cccc(Br)c3n2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 757093360 HLRYGBXPOPVUHC-UHFFFAOYSA-N 431.202 4.374 5 20 IIBD COC(=O)CSc1ccc(OC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 757703729 WSHDOBJNRPKYCJ-UHFFFAOYSA-N 430.463 4.203 5 20 IIBD COc1coc(COC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1=O 757908809 VFURNEWHDPZHLX-UHFFFAOYSA-N 431.784 4.359 5 20 IIBD CC(C)(C)OC(=O)N1CCc2ncc(NC(=O)Nc3ccc([N+](=O)[O-])cc3F)cc2C1 758370659 WJYROVKDERLMNC-UHFFFAOYSA-N 431.424 4.066 5 20 IIBD COc1cc(S(=O)(=O)Nc2cccc(CC[C@H](O)c3ccccc3)c2)ccc1[N+](=O)[O-] 759165482 NZRACEAYEHNGOM-NRFANRHFSA-N 442.493 4.070 5 20 IIBD O=C(NCC[C@H](O)c1ccc(Cl)c(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 760735137 XLGTWAMAUZROTL-IBGZPJMESA-N 438.311 4.355 5 20 IIBD COc1ccsc1[C@@H]1NC(=O)N(CC2CC2)C(C)=C1C(=O)Nc1ccc([N+](=O)[O-])cc1 764987434 JMBBUPJAOJUBSD-GOSISDBHSA-N 442.497 4.054 5 20 IIBD CCn1c(SCc2cc(OC)c(F)cc2[N+](=O)[O-])nnc1-c1ccc([N+](=O)[O-])cc1 766044669 RFGTWZUUEDYYNP-UHFFFAOYSA-N 433.421 4.221 5 20 IIBD CCOc1ccc([C@@H]2CCCN2C(=O)COC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 766230951 QOOPZELODKGIGN-FQEVSTJZSA-N 449.463 4.062 5 20 IIBD Cc1ccc(NC(=O)OC(C)(C)C)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(O)cc1C 766318809 FLOJLRMBXCNPGK-UHFFFAOYSA-N 437.474 4.065 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)cc2)c(C)c1[N+](=O)[O-] 769375986 QUXUVXNSPRUMBQ-UHFFFAOYSA-N 449.467 4.169 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CCC(c2nc(-c3ccccn3)no2)CC1 769999450 WUGVRSHVEGVBLU-UHFFFAOYSA-N 428.836 4.105 5 20 IIBD O=C(NC[C@H](O)c1cccc(C(F)(F)F)c1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 771767987 MGVQAULKSQDOAR-AWEZNQCLSA-N 437.296 4.488 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 772235209 GQKVTEMSPUDICW-LLVKDONJSA-N 428.436 4.156 5 20 IIBD COc1cccc(C(=O)OC[C@H]2CCC(=O)N(C)[C@@H]2c2cccc(Cl)c2)c1[N+](=O)[O-] 774114490 ATLMPOLXZOMTHC-AUUYWEPGSA-N 432.860 4.023 5 20 IIBD Cc1ccc([C@H](O)c2ccccn2)cc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 774299039 WXBYJDMBVYIIMA-DEOSSOPVSA-N 446.507 4.235 5 20 IIBD CN(C)C(=O)c1cccc(C(=O)O[C@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])c1 774372220 CBFBWDPKKJCBPH-QGZVFWFLSA-N 449.301 4.104 5 20 IIBD COC[C@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 775442774 KIIZNVOOUIXGRA-HNNXBMFYSA-N 431.798 4.183 5 20 IIBD CSc1cccc(C(=O)O[C@@H](C)C(=O)N(C)Cc2nc3ccccc3s2)c1[N+](=O)[O-] 777073190 BDEBAMPPUHOLIW-LBPRGKRZSA-N 445.522 4.130 5 20 IIBD O=C(O)CCCN(Cc1ccccc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br 777392652 SMNBEGPDLNLEPR-UHFFFAOYSA-N 439.237 4.004 5 20 IIBD COC(=O)Nc1cc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc(C(F)(F)F)c1 778035154 YFHJAUYTYPXTDJ-UHFFFAOYSA-N 445.781 4.418 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C[C@@H](O)c1ccc(OCc3ccccc3)cc1)CC2 781011851 BQQNFMZBAPZPKY-XMMPIXPASA-N 432.476 4.495 5 20 IIBD COc1ncc(COC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1Cl 781258175 XYKFQAHRDCBPBB-UHFFFAOYSA-N 430.794 4.374 5 20 IIBD C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 782376959 PQEUVURMWICMDL-SNVBAGLBSA-N 446.765 4.216 5 20 IIBD O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)c1cc(=O)c2cc(Br)ccc2[nH]1 783644297 WKNQBFQGWFTPFJ-UHFFFAOYSA-N 437.633 4.209 5 20 IIBD COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] 783699901 XBYJNWMENPLIKH-IFXJQAMLSA-N 430.457 4.474 5 20 IIBD O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1ccc(Br)c([N+](=O)[O-])c1 788097214 AHKFIPLZFJFVSB-UHFFFAOYSA-N 429.057 4.422 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)[C@H]2CC(=O)c3ccccc32)c2ccccc2)c([N+](=O)[O-])c1 789301896 PPCGSIGHDILRDC-WMZHIEFXSA-N 444.443 4.496 5 20 IIBD C[C@@H]1C[C@H](CCNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CN1Cc1ccccc1 790556206 CMDWYPYNZRWUTH-WBVHZDCISA-N 433.911 4.347 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CCc2nc(C3CCCCC3)[nH]c2C1 791275139 TVMCREZPSCRPJU-SFHVURJKSA-N 425.533 4.231 5 20 IIBD COC(=O)c1cc(NC(=O)Cc2ccc(Cl)cc2Br)c(C)c([N+](=O)[O-])c1 792626323 NHNIVPGMINNQEA-UHFFFAOYSA-N 441.665 4.287 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N(Cc1ccccc1Cl)OC 794338302 AEXFLIMJOKNPKO-UHFFFAOYSA-N 438.889 4.107 5 20 IIBD COc1ccc(F)c2[nH]c(C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc12 796198563 KIYBWNUDCFQPAX-SECBINFHSA-N 435.795 4.061 5 20 IIBD CN(CC(=O)O[C@H](c1ccccn1)C(F)(F)F)c1cc(Br)ccc1[N+](=O)[O-] 797160810 OBJYJUNYJYBNAT-OAHLLOKOSA-N 448.195 4.035 5 20 IIBD C[C@H](Nc1ccc(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-])c1ccccn1 801091268 RVROAXFRKZLAPB-INIZCTEOSA-N 449.467 4.386 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(F)c(Br)c(Cl)c1 803734847 QFODGHLUOJYDKW-UHFFFAOYSA-N 445.628 4.254 5 20 IIBD CCOC(=O)COC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 804860139 INKBYNFOUWIQFX-RVDMUPIBSA-N 426.450 4.242 5 20 IIBD C[C@@H](NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)c1ccc(Oc2cccnc2)cc1 807899507 SYAXLYUKEQAIQT-IVZQSRNASA-N 432.436 4.153 5 20 IIBD Cc1sc2ncn(CC(=O)OCc3cc(Cl)cc(Cl)c3[N+](=O)[O-])c(=O)c2c1C 811052280 JIYXDGJTHWSZTA-UHFFFAOYSA-N 442.280 4.033 5 20 IIBD CN1CCN([C@H](CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c2cccs2)CC1 811472152 YBZOUBWNRSKFED-MRXNPFEDSA-N 429.373 4.041 5 20 IIBD CCCC(=O)Nc1ccc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 815511753 VYXHOHDOSVPSEH-UHFFFAOYSA-N 438.358 4.392 5 20 IIBD O=C(OCc1cncc(-c2ccsc2)c1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 816255419 UYBAKNMVVVNFHR-MRXNPFEDSA-N 443.506 4.128 5 20 IIBD Nc1ccc(NC(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1[N+](=O)[O-] 819904622 BCMDHRRWRNKEPP-UHFFFAOYSA-N 448.523 4.262 5 20 IIBD O=C(NC[C@H]1CC1(Cl)Cl)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 913814624 DCSQTQDWTARUJO-GFCCVEGCSA-N 440.249 4.140 5 20 IIBD O=C(OCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 914852599 NCCYXCUVAKAWFM-OAHLLOKOSA-N 437.279 4.497 5 20 IIBD O=C(NCc1ccc(N2CCCC2=O)cc1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 915832286 ZMKQEFNUASPRDD-UHFFFAOYSA-N 431.448 4.444 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCSc3ccc(F)cc32)cc1Br 917866102 KUKUZUNQENSINC-ZDUSSCGKSA-N 447.307 4.012 5 20 IIBD Cc1ccc(C(=O)N(C)c2ccc(OS(=O)(=O)c3cccc(F)c3[N+](=O)[O-])cc2)cc1 918191448 OEMGMXUYWHULNU-UHFFFAOYSA-N 444.440 4.087 5 20 IIBD Cc1sc(=O)n(CC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1-c1ccc(F)cc1 919869281 WTVLNSHIQODREJ-UHFFFAOYSA-N 443.500 4.370 5 20 IIBD CCNC(=O)COc1cccc(CNCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c1 1116221536 ILXTZUAYRPKTGU-UHFFFAOYSA-N 443.887 4.313 5 20 IIBD COC1(COC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CCOCC1 1263472671 ODNXBJGMBOLRBW-UHFFFAOYSA-N 434.876 4.213 5 20 IIBD C[C@@H](OC(=O)c1ncc(Cl)s1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 1321117656 GMSURVWSNBUGKK-MRVPVSSYSA-N 438.874 4.012 5 20 IIBD CN1CCN(CC2(C)CCN(Cc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)CC2)CC1 1342420371 DKCOFIFBXQSQCM-UHFFFAOYSA-N 446.979 4.358 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(C2(NC(=O)C3CC(F)(F)C3)CCC2)cc1 1785792643 ZWCYCCCFOZDENE-UHFFFAOYSA-N 443.450 4.317 5 20 IIBD CCOCCC(=O)NC1(c2ccc(NC(=O)CCc3cccc([N+](=O)[O-])c3)cc2)CCC1 1786601556 WAFZXNBPQLGYMV-UHFFFAOYSA-N 439.512 4.088 5 20 IIBD Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CCC1 1790184292 ANGVTHWTLWAFER-UHFFFAOYSA-N 448.479 4.058 5 20 IIBD O=C(Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])[nH]n1)C1CCCC1 1816682752 AMDWBPINZMIOIX-DRUFCSCSSA-N 437.500 4.214 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)[nH]n1)C1CCCCC1 1816708743 JLGIBTNHBLNABL-IBGZPJMESA-N 443.479 4.343 5 20 IIBD CC/C=C(\C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)[nH]n1 1823097845 ZFJIYOPVGWMNDN-QPEODSHDSA-N 429.452 4.119 5 20 IIBD Cc1cc(C)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)c1 1823614069 QHQDVKZZSPOVCA-FQEVSTJZSA-N 439.512 4.352 5 20 IIBD O=C(CCC1CCCC1)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 1829829444 HKOINYCXTIZLFV-HXUWFJFHSA-N 430.549 4.127 5 20 IIBD CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1 1830070895 BPAZXUVBRHDWLA-HXUWFJFHSA-N 439.512 4.297 5 20 IIBD Cc1cc(CCCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CCC2CCC2)c([N+](=O)[O-])cc1F 1847699372 MFSZZNZQRPZNTA-SFTDATJTSA-N 445.535 4.147 5 20 IIBD Cn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1ccccc1Cl 9810696 LCZRUIBUGZSYBW-UHFFFAOYSA-N 438.296 4.428 5 20 IIBD CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 15427475 SARPLLKMRJDBMU-UHFFFAOYSA-N 445.884 4.326 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2csc(-c3ccc(Cl)cc3)n2)c([N+](=O)[O-])c1 16457216 WWRAEAATFYYCAS-UHFFFAOYSA-N 447.856 4.176 5 20 IIBD CN(C)C(=O)[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)c1ccccc1 17892516 RMDWDFHDUUMMKU-QFIPXVFZSA-N 433.464 4.193 5 20 IIBD Cc1c(NC(=O)[C@@H](C)OC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)cccc1[N+](=O)[O-] 21373786 RYCSNQFXAOWXMA-SSDOTTSWSA-N 447.662 4.025 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc2c(OC(F)F)cccc2[nH]1 25657097 WTRXYYFEBVBDCP-UHFFFAOYSA-N 430.323 4.085 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N(C)Cc2ccc(OC)cc2)c([N+](=O)[O-])c1 29301575 FXVWNAAWXWODKT-UHFFFAOYSA-N 434.448 4.257 5 20 IIBD O=[N+]([O-])c1cccc(-c2noc(CSc3nc(COc4ccc(Cl)cc4)n[nH]3)n2)c1 31843453 ZFRFNGQWWVPROJ-UHFFFAOYSA-N 444.860 4.288 5 20 IIBD C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1 31929968 LBOJQONEROWHFN-ROUUACIJSA-N 439.512 4.035 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H](Cc2cccc(F)c2)c2cccc(F)c2)cc1 60925548 ULCPUPCFGIHFSB-OAQYLSRUSA-N 432.448 4.276 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)N2CCC[C@H](C)CC2)cc([N+](=O)[O-])c1C 63273685 OVZGWQAOJQZKAK-HNNXBMFYSA-N 445.541 4.275 5 20 IIBD O=C(Cc1ccc(Br)cc1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 106189743 RSCXZOIUSPJONW-UHFFFAOYSA-N 431.208 4.491 5 20 IIBD Cc1occc1C(=O)Nc1cc(N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1F 108415744 INRMTQFWTOKJBF-GFCCVEGCSA-N 426.404 4.327 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CC=C(c2ccc(Cl)cc2)CC1 138042659 WXDQNOQPVRGUGJ-UHFFFAOYSA-N 427.888 4.014 5 20 IIBD Cc1ccc(NC(=O)COc2ccc(CCNC(=O)c3cc(C)cc([N+](=O)[O-])c3)cc2)cc1 195692887 YKMPZTHYRQNPGX-UHFFFAOYSA-N 447.491 4.202 5 20 IIBD COc1cc(CNC2CCN(c3ccccc3)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F 237363222 ODIOVPPLLLGCMV-UHFFFAOYSA-N 439.434 4.303 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@H]1c1nc2ccccc2s1 251567812 SWEDFQDNIZRYFY-DYVFJYSZSA-N 426.498 4.377 5 20 IIBD Cc1cc(F)ccc1N1CCC[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 301252355 AHYZEXZVTHPLBV-IBGZPJMESA-N 426.492 4.359 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 410154174 LPJRBOYXFCXAJW-QFIPXVFZSA-N 431.448 4.406 5 20 IIBD Cn1cc(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(-c2ccccc2)n1 426206722 RBJJHYCVSVBQLW-UHFFFAOYSA-N 433.390 4.014 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1ccc(Br)cc1F 426532992 ZBZJGGCYTVJOME-JTQLQIEISA-N 443.294 4.072 5 20 IIBD COc1ccccc1C[C@H](CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)O 426629108 AEVNXTYANGNVST-MRXNPFEDSA-N 426.494 4.365 5 20 IIBD O=C(CSc1nc(-c2ccccc2)no1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 427597746 XVXWAOXUWDHHGS-UHFFFAOYSA-N 438.387 4.072 5 20 IIBD C[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 427705251 NOYHISMDZNZRFJ-NSHDSACASA-N 435.267 4.154 5 20 IIBD Cc1cc(OCC(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2C)ccc1[N+](=O)[O-] 430410296 BVTJDBFXKAJLBN-UHFFFAOYSA-N 435.484 4.214 5 20 IIBD CC[C@@H](C)c1ncc(NC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cn1 434517085 KVOPWKGBJZMNEX-RHSMWYFYSA-N 429.477 4.103 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 438541318 QHEBRTPJTKNRFO-UHFFFAOYSA-N 429.885 4.421 5 20 IIBD C[C@@H]1CN(C(C)(C)CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 440421710 KMOUEIVBTHKBFK-IAGOWNOFSA-N 443.569 4.364 5 20 IIBD CO[C@@H]1CCN(c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])[C@H](C)C1 440649695 LVBPSKAJGOZGHN-IAGOWNOFSA-N 433.530 4.016 5 20 IIBD Cc1cc(CS(=O)(=O)Cc2cccc([N+](=O)[O-])c2C)nc(-c2ccc(Cl)cc2)n1 443437011 AMSWYWYZZGSRIL-UHFFFAOYSA-N 431.901 4.437 5 20 IIBD Cc1nc2sccn2c1CN(C)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 444099066 IDDQEWIMJUQVGB-UHFFFAOYSA-N 438.459 4.249 5 20 IIBD Cc1ccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1NC(=O)CCN(C)C 444325805 ZSUWWTXFKAYRJU-UHFFFAOYSA-N 442.519 4.132 5 20 IIBD COc1ccc(CC(=O)NCc2ccc(C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)cc2)cc1 444733042 KUUWLOYIXWPBDH-UHFFFAOYSA-N 447.491 4.331 5 20 IIBD O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2cnn(-c3ccc(Br)cc3)c2)n1 447549165 DAIPKYNBKLZTLG-MSOLQXFVSA-N 445.321 4.013 5 20 IIBD O=C(C1CCCCC1)N1CC[C@H](Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 447674724 GFCQGGHMPFFKLQ-LBPRGKRZSA-N 436.381 4.237 5 20 IIBD Cc1ccc(-c2nnc(N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2C[C@@H]2CCCO2)o1 461152473 IALCJQUIAOAFGQ-IBGZPJMESA-N 425.489 4.349 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 462492527 GFFRVNDFHKBMBD-ZHALLVOQSA-N 439.512 4.052 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCC[C@](CO)(Cc2ccccc2)C1 462898823 YQVCFCZPJLMMFJ-MHZLTWQESA-N 444.506 4.278 5 20 IIBD COC(=O)[C@@H](CC(F)(F)F)NC(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 463085563 ZXBGBFKSUIQNIF-CQSZACIVSA-N 442.415 4.278 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1 463954930 LFZQANLIQXZBTE-HXUWFJFHSA-N 432.908 4.060 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)Oc2cccc(Br)c2)c1 464694956 WNNWSPZVKQEVGX-NSHDSACASA-N 425.304 4.277 5 20 IIBD C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 464771268 CPMFNKSZAYIHEU-AWEZNQCLSA-N 437.418 4.484 5 20 IIBD Cc1ccc(NC(=O)c2ccc(NCCN3CCc4ccccc4C3=O)c([N+](=O)[O-])c2)cc1 466384803 VYDNNZANKFTYNA-UHFFFAOYSA-N 444.491 4.266 5 20 IIBD C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 466895471 ZSDXJTQBIZSVPW-DOTOQJQBSA-N 437.525 4.283 5 20 IIBD Cc1sc(S(=O)(=O)Nc2cccc(CSC3CCOCC3)c2)cc1[N+](=O)[O-] 466961388 JVHRXWGPBADFJF-UHFFFAOYSA-N 428.557 4.178 5 20 IIBD O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 468178191 NBPGHAVZEUONKQ-ZDUSSCGKSA-N 445.928 4.140 5 20 IIBD COC(=O)c1sc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)nc1C(C)(C)C 471573801 KHJQKSNMCNRUCJ-UHFFFAOYSA-N 449.532 4.334 5 20 IIBD Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 471862327 RNCIQNVRYXPROD-GOSISDBHSA-N 434.500 4.063 5 20 IIBD COc1cc(C(=O)NCCOC(F)(F)F)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 474928342 MZZAJJVNOPVYME-UHFFFAOYSA-N 434.754 4.315 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N(Cc1ccccc1)CC1(O)CCCC1 475509994 SZMUKIPPGGIYSJ-UHFFFAOYSA-N 440.543 4.489 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@H]1CC=C(c2ccc(F)cc2)CC1 479356422 XUGFIMHEQUZJFU-SFHVURJKSA-N 439.443 4.174 5 20 IIBD CCO[C@@H]1C[C@@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C12CCCCC2 479833066 XLPHKXVLWFTSAA-IAGOWNOFSA-N 430.423 4.394 5 20 IIBD Cn1c(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)nc2cccc(Cl)c21 480338643 SHGWVYMBWZKJPR-UHFFFAOYSA-N 425.779 4.058 5 20 IIBD C[C@H](CC(N)=O)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2 482288541 UKKGVZCWEUAYPO-PWVLXBNSSA-N 444.491 4.014 5 20 IIBD Cc1c(CNC(=O)C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)cccc1[N+](=O)[O-] 483817230 KGJODQPMSGCVNT-UHFFFAOYSA-N 431.876 4.133 5 20 IIBD C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(CCCc2nc(-c3cccs3)no2)CC1 485201694 GMQKCAIBAHOSDL-MRXNPFEDSA-N 427.530 4.018 5 20 IIBD COC(=O)c1cc(NC(=O)[C@H](C)Oc2ccc(C(F)(F)F)cc2)c(C)c([N+](=O)[O-])c1 485934571 NJOHUIMBCUBQOC-NSHDSACASA-N 426.347 4.115 5 20 IIBD CN(C(=O)c1ccccc1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCCCC1 486164173 KJAPMTZADXQZQR-UHFFFAOYSA-N 436.512 4.001 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CC[C@@H](N(C)C)C2)cn1 489455954 JLKQPTPRSKPXIK-GOSISDBHSA-N 443.573 4.131 5 20 IIBD CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)CC2 489523305 YMVYGORTEDNOFY-RTWAWAEBSA-N 442.537 4.138 5 20 IIBD O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 490367923 MSCLHAFTGYFEQX-NSHDSACASA-N 431.773 4.415 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc(C)c1C 493458550 COYHAMVTIWKHFV-UHFFFAOYSA-N 427.457 4.074 5 20 IIBD Cc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1NC(=O)C(C)(C)C 493904823 FLFAMJARPDSHEB-OAHLLOKOSA-N 440.500 4.012 5 20 IIBD COc1cc(CNc2cc(OC(F)F)n(C)n2)ccc1OCc1ccc([N+](=O)[O-])cc1 494465211 UOJMVQRGHVPIBR-UHFFFAOYSA-N 434.399 4.129 5 20 IIBD CCN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@H](c1ccc(C)cc1)c1cccnc1 496538566 VNWGDDZJJIPDRH-XMMPIXPASA-N 446.507 4.056 5 20 IIBD O=C(NCc1ccc(COC2CCOCC2)cc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 500981516 CQKVGPXRRCGTOB-UHFFFAOYSA-N 438.402 4.239 5 20 IIBD CS(=O)(=O)c1ccc(N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)c([N+](=O)[O-])c1 502778048 DEJYTVBSAKFWEW-IBGZPJMESA-N 431.901 4.443 5 20 IIBD O=C(Cc1ccc(OCc2ccccn2)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 505364319 OJJMAFBZMILKND-UHFFFAOYSA-N 447.491 4.181 5 20 IIBD Cc1cccc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2I)c1 509757622 COYNNSSVYKYVTL-KRWDZBQOSA-N 436.249 4.485 5 20 IIBD C[C@@H]1c2cccc(Br)c2CCN1C(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 509921630 ALONXGZQGNZHBG-LLVKDONJSA-N 442.269 4.371 5 20 IIBD COCCOc1ccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1F 510050284 OKRUVWRMWQOTHD-IYBDPMFKSA-N 445.491 4.494 5 20 IIBD CCN([C@H](c1ccc(Cl)cc1)c1ccccn1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 510242820 LOYRPPQKALBVRR-HXUWFJFHSA-N 431.901 4.443 5 20 IIBD C[C@@H](NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCCN(C2CCC2)C1 511269631 ZQOYJWMDOCZGCH-ZIAGYGMSSA-N 445.507 4.475 5 20 IIBD CC(C)N(Cc1cccc(Br)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F 512041092 RPGALIHNCCZXIJ-UHFFFAOYSA-N 431.283 4.096 5 20 IIBD O=C(NCCc1nc([C@H](F)c2ccc(C(F)(F)F)cc2)no1)c1ccc([N+](=O)[O-])cc1 512063785 XOGUVWUUCMITDR-MRXNPFEDSA-N 438.337 4.028 5 20 IIBD CC(C)c1cc(Br)ccc1NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 513614452 ZWSIAZMTVSPXPA-UHFFFAOYSA-N 441.303 4.137 5 20 IIBD Cc1cc(C)cc(N(CC(=O)Nc2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 519151739 DBEHUVPRGXCLOT-UHFFFAOYSA-N 439.493 4.046 5 20 IIBD CCC(=O)Nc1ccc(NC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 520050142 NZCNXMVDOZXGKS-UHFFFAOYSA-N 439.394 4.196 5 20 IIBD CCOC(=O)C[C@H](NC(=O)c1cc(C)ccc1[N+](=O)[O-])c1cccc(Br)c1 520881087 ACUZBZXZQGDIHW-INIZCTEOSA-N 435.274 4.090 5 20 IIBD O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 520914677 UNHCPRFOPFGPGQ-UHFFFAOYSA-N 446.511 4.045 5 20 IIBD Cc1ccc(C(C)C)c(Oc2ccc(CNC[C@@H]3CN(C)CCN3C)cc2[N+](=O)[O-])c1 521379204 HYPBZMHLYKQLGE-HXUWFJFHSA-N 426.561 4.154 5 20 IIBD C[C@H](Oc1ccccc1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 524530285 CLJWQKBDKULPNK-KRWDZBQOSA-N 433.464 4.493 5 20 IIBD COC(=O)c1ccc(Br)c(C)c1NC(=O)c1cc(SC)ccc1[N+](=O)[O-] 525798575 JNLRZYZBUTVASV-UHFFFAOYSA-N 439.287 4.427 5 20 IIBD COc1ccc(CC(=O)Nc2ncnc3c2c(C)c(C)n3Cc2ccccc2)cc1[N+](=O)[O-] 525843534 OVXXBSZEWAOPIT-UHFFFAOYSA-N 445.479 4.194 5 20 IIBD COc1cc(Cc2noc(CSCC(=O)c3ccc(Cl)cc3)n2)ccc1[N+](=O)[O-] 530366784 CKMDUILPPOOWFH-UHFFFAOYSA-N 433.873 4.347 5 20 IIBD COc1cccc(C[C@H]2CCCN2c2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)c1 531142768 MXNCNTCTKJDRQL-GOSISDBHSA-N 440.887 4.014 5 20 IIBD C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 532551201 FQLUNQYYWCFSIZ-OAHLLOKOSA-N 425.464 4.016 5 20 IIBD COc1cccc(CN(C[C@@H]2CCCO2)C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 533464256 KKMBZXHYJDYAIP-IBGZPJMESA-N 438.402 4.444 5 20 IIBD CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 533989393 ZHZJGABZNPKDKW-OAHLLOKOSA-N 437.500 4.370 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnc(CCN3CCO[C@@H](c4cccc(OC(F)F)c4)C3)o2)c1 536179054 HSNGSXBFYQBAJC-HXUWFJFHSA-N 445.422 4.467 5 20 IIBD O=[N+]([O-])c1cc(Br)cnc1N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 537560474 FFMMIMOAAKXLAJ-CYBMUJFWSA-N 435.326 4.302 5 20 IIBD COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCO[C@@H](C(C)C)C1 537837355 QSDUPTXWMAACMW-MGPUTAFESA-N 449.529 4.020 5 20 IIBD Cc1c(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)nnn1-c1cccc2ncccc12 541069036 MVJSBIQZWPAGCE-UHFFFAOYSA-N 442.357 4.303 5 20 IIBD C[C@H](C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1)c1ccc([N+](=O)[O-])cc1F 541832534 KGGRUSHZBYKWLP-LBPRGKRZSA-N 449.866 4.074 5 20 IIBD Cc1cc2cc(C(=O)N3CCCN(c4nc5ccc([N+](=O)[O-])cc5[nH]4)CC3)oc2cc1C 542771687 CGJFONVHSSKMSH-UHFFFAOYSA-N 433.468 4.187 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1cccc(NC(=O)C2CCC2)c1 544085612 SULWIRRHDSBLSM-UHFFFAOYSA-N 433.917 4.395 5 20 IIBD Cc1cc(Br)cn2cc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)nc12 544702990 XRFYSEBKRZBLKH-UHFFFAOYSA-N 438.669 4.289 5 20 IIBD COc1ccc(OCc2ccccn2)c(/C=C/c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)c1 545075840 TUCXFSOYXLAVDS-BJMVGYQFSA-N 445.435 4.117 5 20 IIBD CC[C@@H](C)c1ccc(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3c(=O)n2C)cc1 545841805 VENXLTIRJMQUKZ-CYBMUJFWSA-N 426.498 4.086 5 20 IIBD CCOC(=O)c1cc(-c2nc(Cc3ccc(OC)c(OC(F)F)c3)no2)cc([N+](=O)[O-])c1 546361222 PUECPWDYNFVOLT-UHFFFAOYSA-N 449.366 4.022 5 20 IIBD Cc1csc(Sc2ccc(NC(=O)C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)cc2)n1 549335725 VBKIYUZGZGNGBC-ZDUSSCGKSA-N 442.522 4.327 5 20 IIBD CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)[C@H]2C1 554723026 MXFQOWSFBBYMBJ-BULFRSBZSA-N 439.537 4.123 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)c1 558754157 AIDVDBHJBGOIAN-UHFFFAOYSA-N 435.436 4.263 5 20 IIBD CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 559082899 FREZNQFCWBIYLG-GOSISDBHSA-N 440.479 4.091 5 20 IIBD COc1cc(CN2CCC[C@@](CO)(C(C)C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 560618385 CNCUDRLMKHLKCQ-XMMPIXPASA-N 428.529 4.413 5 20 IIBD C[C@H](CNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)CN(C)C 561093023 VHGMAHQJIMGMQY-YAJBTMAUSA-N 438.553 4.449 5 20 IIBD CC(=O)N[C@H]1CC[C@H](C(F)(F)F)N(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 561963545 KPIGPRWNXUWMOH-SCLBCKFNSA-N 427.448 4.355 5 20 IIBD COc1ccc(Br)cc1-c1noc(-c2ccn(-c3cccc([N+](=O)[O-])c3)n2)n1 562202900 YELHVLQZWZHZGN-UHFFFAOYSA-N 442.229 4.269 5 20 IIBD Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1ccc([N+](=O)[O-])cc1Br 574441583 XKQRHVJNNROLKS-UHFFFAOYSA-N 443.301 4.214 5 20 IIBD Cc1c(Cl)cccc1N1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)CC1 576970912 BNYXWOPXZRZLRI-UHFFFAOYSA-N 426.908 4.069 5 20 IIBD CC(=O)N(c1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1)[C@H]1C[C@H]1C 577435308 JHFHMCQLBQCUFP-DIFFPNOSSA-N 432.274 4.371 5 20 IIBD CCc1nc(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)nn1-c1ccccc1Cl 581282310 GLYDGZUPDCMZGB-UHFFFAOYSA-N 439.863 4.096 5 20 IIBD CC(C)(c1nc(CC(=O)Nc2cccc3ncccc23)no1)c1ccc([N+](=O)[O-])cc1F 581574385 STZNSWWVMDQJIT-UHFFFAOYSA-N 435.415 4.172 5 20 IIBD Cc1ccc(F)cc1C(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 588714304 HZGOVHMTKZYUSS-UHFFFAOYSA-N 443.456 4.404 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3C[C@@H](CO)Cc4ccccc43)cc2[N+](=O)[O-])n1 590405699 HHSONKFNCZUKAH-AWEZNQCLSA-N 441.534 4.322 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc(NCc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C[C@@H](C)O1 600859557 GHMKZRWDOWHVJD-ZIAGYGMSSA-N 437.418 4.475 5 20 IIBD Cc1c(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)cccc1[N+](=O)[O-] 603511658 UDJVJQSQAIWYRK-UHFFFAOYSA-N 433.464 4.231 5 20 IIBD Cc1ccc2c(C3=CCN(C(=O)c4ccn(-c5cccc([N+](=O)[O-])c5)n4)CC3)c[nH]c2c1 603674689 SAZSCLINVWTFDY-UHFFFAOYSA-N 427.464 4.500 5 20 IIBD COc1cc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)ccc1NC(C)=O 603775175 NZCCUEKKBZPFOQ-UHFFFAOYSA-N 426.473 4.050 5 20 IIBD COc1cc([C@H](C)NC(=O)COc2ccccc2[N+](=O)[O-])ccc1OCc1ccccc1 603986636 HLRGLLKSPGMBIV-KRWDZBQOSA-N 436.464 4.439 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(C)c(C)c3)nc2)cc1[N+](=O)[O-] 603987303 MEWBZMYMBMOKJN-UHFFFAOYSA-N 429.454 4.208 5 20 IIBD O=[N+]([O-])c1cc2c(O)ncnc2cc1N1CCc2[nH]c3c(Br)cccc3c2C1 604379420 GRDLJHVWQRZTST-UHFFFAOYSA-N 440.257 4.050 5 20 IIBD COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1 609129963 ZNHGKYFSQYECPW-UHFFFAOYSA-N 436.464 4.463 5 20 IIBD COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)COc2cccc([N+](=O)[O-])c2)cc1 609129967 ZOXKMYRHZISLEK-UHFFFAOYSA-N 436.464 4.220 5 20 IIBD CCCc1c(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cnn1Cc1ccccc1 609202667 VCHBUOSTBZUDQL-UHFFFAOYSA-N 430.468 4.435 5 20 IIBD CC[C@@H](c1ccccc1)c1nnc(NC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)s1 609291401 TUAUOUVJYCIECR-HNNXBMFYSA-N 427.486 4.319 5 20 IIBD C[C@H](Nc1ccc(C(=O)NC(C)(C)C(=O)Nc2ccccc2)cc1[N+](=O)[O-])c1ccccn1 609376297 GXBHYVJEKQZSPC-INIZCTEOSA-N 447.495 4.310 5 20 IIBD C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 609509268 MLXQVAWARRNSGE-ZHRRBRCNSA-N 443.931 4.453 5 20 IIBD O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCCC[C@H]1c1ncc[nH]1 609874810 GUCQSDAUOGZOOM-HNNXBMFYSA-N 435.271 4.178 5 20 IIBD CCc1ccc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)cc1[N+](=O)[O-] 610491461 QTWPIAIWSZRTRI-UHFFFAOYSA-N 431.876 4.007 5 20 IIBD CC(=O)Nc1cccc(Nc2nnc(Sc3ncnc4ccc([N+](=O)[O-])cc34)s2)c1 611702743 RCZDELVBISQHPY-UHFFFAOYSA-N 439.482 4.243 5 20 IIBD Cc1ccc([C@H](CNC(=O)c2cc3ccccc3c3cccnc23)N2CCOCC2)cc1 614994710 QVNIZGWCHUQEOY-VWLOTQADSA-N 425.532 4.500 5 20 IIBD O=C(COC(=O)c1csc(Cc2ccc(F)cc2)n1)Nc1ccc(Cl)cc1[N+](=O)[O-] 727019709 JOJHTWKPRBBKOT-UHFFFAOYSA-N 449.847 4.230 5 20 IIBD O=C(c1ccc(I)c([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc(F)cc1 727753473 HNNPAAWXRUHNSM-HNNXBMFYSA-N 440.212 4.316 5 20 IIBD COc1ccc(CC(=O)OCC(=O)N[C@@H](c2ccccc2)C2CCCCC2)cc1[N+](=O)[O-] 727884414 VPFCFDKHYWFPDO-DEOSSOPVSA-N 440.496 4.127 5 20 IIBD O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCC[C@H]1c1ccccc1C(F)(F)F 728034713 QUVXPDXIGVVVJZ-INIZCTEOSA-N 431.374 4.172 5 20 IIBD C[C@@H](c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1)N1CCOCC1 730085891 PBYBAUSAXVYXKL-SFHVURJKSA-N 438.528 4.231 5 20 IIBD O=C(COC(=O)C[C@H]1CCc2ccccc2C1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 732585429 FWOSFYZHLITXJG-ZDUSSCGKSA-N 436.386 4.291 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@H]1CC(c2cc(F)ccc2F)=NO1 732629842 XESOHLWXQUTMMV-QGZVFWFLSA-N 430.392 4.128 5 20 IIBD C[C@H](OC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(CSc2ccccn2)c1 733388383 WPAXMAOUOMRBOV-HNNXBMFYSA-N 437.477 4.466 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Oc2cccc(NC(=O)c3ccco3)c2)cc1SC 734330669 OBHRNABWQGNZII-UHFFFAOYSA-N 428.422 4.390 5 20 IIBD CC[C@@H](Cc1cccc(Br)c1)C(=O)OCC(=O)Nc1c(C)cccc1[N+](=O)[O-] 735358199 RZLZEFLKHNIQIX-HNNXBMFYSA-N 449.301 4.416 5 20 IIBD O=[N+]([O-])c1cccc(/C(O)=C(/C(=S)N[C@H]2C[C@H]3CC[C@H]2C3)[n+]2cccc(O)c2Cl)c1 735666803 OJMXCPPQQANTDP-XEZPLFJOSA-O 446.936 4.231 5 20 IIBD CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 740869059 ZUJSFKBGOHPJAD-KRWDZBQOSA-N 426.803 4.281 5 20 IIBD COc1c([N+](=O)[O-])cc(NC[C@H](C)Oc2ccc(C)cc2)c([N+](=O)[O-])c1Br 742419584 IQIVNDDKKARCCS-NSHDSACASA-N 440.250 4.462 5 20 IIBD Cc1cc(S(=O)(=O)NC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)cc([N+](=O)[O-])c1C 744008217 ZSOBQOIURGYGSG-JKSUJKDBSA-N 443.308 4.127 5 20 IIBD C[C@@H]1Cc2ccccc2N1C1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 744206398 HTOCVYLHCXDZSK-OAHLLOKOSA-N 428.920 4.102 5 20 IIBD C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NCc1ccccc1Cl 745565612 UEMHDJIHTMEABK-JTQLQIEISA-N 430.766 4.129 5 20 IIBD Cn1c(S)nnc1CCNC(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34 746226368 WAPONSSDDXOBMT-UHFFFAOYSA-N 442.544 4.323 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)cc1SC 746266230 YSLWOKSSIVOZLL-CRAIPNDOSA-N 434.489 4.193 5 20 IIBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)Nc1ccc(OC(F)F)cc1 747120282 ZYQHOOCAECFLBB-SECBINFHSA-N 448.300 4.399 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNc1cc2c(cc1NC(=O)c1cccs1)OCCO2 747475419 CFGIXJYOORMISU-UHFFFAOYSA-N 441.465 4.301 5 20 IIBD CC(C)[C@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)N1C[C@@H](C)C[C@@H](C)C1 747957721 RGNBDUDCTGCCHI-KHYOSLBOSA-N 445.541 4.404 5 20 IIBD Cc1c(C(=O)Nc2cc(Cl)ccc2C(=O)NC(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748625015 VECUSXOQUVCHLL-UHFFFAOYSA-N 434.836 4.164 5 20 IIBD O=C(NC1(c2noc([C@H]3CCOC3)n2)CCCCCC1)c1cccc(Cl)c1[N+](=O)[O-] 749167602 ULHVDFLJPBBZTD-ZDUSSCGKSA-N 434.880 4.115 5 20 IIBD Cc1ccc(Cl)c(O[C@H](C)C(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)c1 750433110 DPCBDALDRWVYLO-OAHLLOKOSA-N 433.892 4.179 5 20 IIBD CCOc1ccc([C@@H]2CCCN2C(=O)COC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1 750533805 UXZPFCMPJYIGJT-SFHVURJKSA-N 432.860 4.167 5 20 IIBD O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1cc([N+](=O)[O-])ccc1Br 751055520 QVKQMBWAXHPKQG-UHFFFAOYSA-N 448.254 4.462 5 20 IIBD C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 752341439 WRMFKQPAILRNKE-KBPBESRZSA-N 446.529 4.094 5 20 IIBD CC[C@H](NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccc(C)cc1)n1cncn1 756266439 AKACPECLIIMOMW-PKOBYXMFSA-N 428.880 4.338 5 20 IIBD O=C(N[C@@H](c1cccc(F)c1)c1ccccn1)c1cccc([N+](=O)[O-])c1Br 758909599 QVYYFTDUSMIBBN-SFHVURJKSA-N 430.233 4.411 5 20 IIBD O=C(Oc1cccc(NC(=O)c2cccs2)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 764242897 LEPGQRBTXYIYHI-UHFFFAOYSA-N 434.433 4.314 5 20 IIBD C[C@H]1CCC[C@H](OCCCCCC(=O)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 766626625 UTJYDHZCXVEMKM-GJZGRUSLSA-N 446.953 4.209 5 20 IIBD CC[C@H](OC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1F 767610085 ISYKKEFIBYCZLL-HNNXBMFYSA-N 426.853 4.273 5 20 IIBD O=C(NS(=O)(=O)C1CCCC1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 767992534 FEWQLDXQDHPYDF-UHFFFAOYSA-N 440.930 4.402 5 20 IIBD CCn1c(SCc2nc3cc([N+](=O)[O-])ccc3o2)nnc1-c1ccc([N+](=O)[O-])cc1 768410890 DXRSGBFROWSGQO-UHFFFAOYSA-N 426.414 4.215 5 20 IIBD CC(=O)[C@@H](Cc1ccc(F)cc1F)OC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 768695434 RIAPQISFXRTQTF-GOSISDBHSA-N 427.787 4.039 5 20 IIBD C[C@H](OC(=O)c1ccc(N)cc1C(F)(F)F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 770064059 IYZHTKBQDMXLRT-QMMMGPOBSA-N 431.754 4.033 5 20 IIBD COC(=O)[C@H](OC(=O)c1sc(Br)cc1[N+](=O)[O-])c1cccc(Cl)c1 773606531 VNYOULMWYUHLHG-LLVKDONJSA-N 434.651 4.143 5 20 IIBD C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCN1C(=O)OC(C)(C)C 773799437 SKBVEYUUFJGXLL-BXUZGUMPSA-N 431.411 4.131 5 20 IIBD O=[N+]([O-])c1ccc([C@H](O)CS(=O)(=O)Cc2nc(-c3ccccc3Cl)cs2)cc1 774730709 QVYUHZZDOLHTBF-QGZVFWFLSA-N 438.914 4.020 5 20 IIBD Cc1cc(F)cc(C(=O)Nc2cnc3c(c2)C[C@H](NC(=O)OC(C)(C)C)CC3)c1[N+](=O)[O-] 777234528 JUGVHMVRIKMDKF-OAHLLOKOSA-N 444.463 4.072 5 20 IIBD O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N(Cc1ccco1)c1ccc(F)cc1F 781626665 UAZYXIURAFUVBQ-HXUWFJFHSA-N 427.363 4.192 5 20 IIBD C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781636841 SXDHUKBRHHYHOF-LBPRGKRZSA-N 425.363 4.202 5 20 IIBD Cc1c(Br)ccc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1F 790138181 OKJBXVQOQRFPKK-UHFFFAOYSA-N 426.198 4.284 5 20 IIBD O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)c1 795881402 ZJZHHIIPXWCPQE-CQSZACIVSA-N 439.852 4.444 5 20 IIBD COc1cccc(NC(=O)c2ccccc2NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c1 797412775 YTBGWDQJAIASIW-UHFFFAOYSA-N 435.436 4.182 5 20 IIBD CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H](c2ccncc2)C1 800335597 PGZDSMNBLPDNNX-GOSISDBHSA-N 446.891 4.077 5 20 IIBD CCOc1cc(NC(=O)NC[C@H]2CC(c3ccc(C)cc3)=NO2)c([N+](=O)[O-])cc1OCC 800514973 RHKBKJHSAXWSQH-MRXNPFEDSA-N 442.472 4.015 5 20 IIBD Cc1c(C(=O)Nc2ccc(F)cc2OC2CCOCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 808899142 QVBUFYHGQHCJLF-UHFFFAOYSA-N 433.392 4.069 5 20 IIBD Cc1c(C2CCCCC2)noc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 811832343 ZPBMEJPBDUTQBP-UHFFFAOYSA-N 438.462 4.265 5 20 IIBD CC(=O)c1ccc(-c2ccc(C(=O)O[C@H]3CCN(Cc4cccc([N+](=O)[O-])c4)C3)o2)cc1 813172681 QMQRSRKIPXDJSK-NRFANRHFSA-N 434.448 4.489 5 20 IIBD CN1CCC(CC(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)CC1 813384907 GKDACYJBEUAUQC-UHFFFAOYSA-N 431.876 4.138 5 20 IIBD C[C@H](OC(=O)c1cccc(OC[C@H]2CCCO2)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 844482053 JLTRSEQTGWCTRN-IFXJQAMLSA-N 439.424 4.121 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2cc(C(C)C)nc3onc(C)c23)cccc1[N+](=O)[O-] 858006228 QTLHDADMDJHPTA-ZDUSSCGKSA-N 426.429 4.055 5 20 IIBD CN(c1ccccc1)c1ccc(CNc2ccc([C@@H]3CC(=O)NC(=O)N3)cc2)cc1[N+](=O)[O-] 864045192 QMSBIHRFSIHUQP-FQEVSTJZSA-N 445.479 4.245 5 20 IIBD CCOC(=O)c1cc2cc(NC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)ccc2s1 914778916 IQXDYWCTQWIGHG-UHFFFAOYSA-N 429.410 4.455 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 915301886 QXAXDELXEICMMH-UHFFFAOYSA-N 427.339 4.064 5 20 IIBD O=C(Nc1ccc(-n2nccn2)cc1C(F)(F)F)c1ccc(NC2CC2)c([N+](=O)[O-])c1 916050740 FUFXYTKEXHRXTA-UHFFFAOYSA-N 432.362 4.021 5 20 IIBD CCCCN1C(=O)C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H]1c1ccc(OC)cc1 916756871 GEUKKCVCNPORLG-DYESRHJHSA-N 429.448 4.071 5 20 IIBD O=[N+]([O-])c1nn(CN2CCC[C@@H]2c2cccc(Br)c2)cc1Br 917616067 DQTYHEIFJRIBDU-CYBMUJFWSA-N 430.100 4.111 5 20 IIBD CN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 917856657 CTBPNDGCJWPBJA-MRXNPFEDSA-N 425.304 4.055 5 20 IIBD CCNc1ccc(C(=O)OCC(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-] 918854677 RXYQBOAYHKWRCF-CQSZACIVSA-N 425.441 4.149 5 20 IIBD CC(C)[C@@H](OC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)c1ccccc1 920779418 WURSATOQZIANIN-IFXJQAMLSA-N 434.876 4.246 5 20 IIBD O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CNCc2ccccc2CN2CC[C@H](O)C2)o1 1116522483 MVMFVAIBJWWLCB-IBGZPJMESA-N 441.915 4.365 5 20 IIBD COCCCC[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1N)c1ccccc1 1116948258 ZJWOUBPUOYBTBP-MRXNPFEDSA-N 436.306 4.227 5 20 IIBD Cc1cccc(-c2nnc(-c3nn(Cc4ccccc4)c(=O)c4ccccc34)o2)c1[N+](=O)[O-] 1117160832 KBDKNUPOAGMXBI-UHFFFAOYSA-N 439.431 4.378 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(Nc3ccccc3Cl)CC2)c(Cl)c1 1318185717 WHSAKLJRPGYRCM-UHFFFAOYSA-N 430.313 4.167 5 20 IIBD CC(=O)NCc1ccc(-c2csc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)n2)cc1 1318550306 KWXFRWIGWJRYEI-UHFFFAOYSA-N 444.900 4.189 5 20 IIBD Cc1ccc(Cn2ncc3c(C(=O)N(C)CCc4ccccc4[N+](=O)[O-])cc(C)nc32)cc1 1326168677 MZXYNYJHGPDFGZ-UHFFFAOYSA-N 443.507 4.319 5 20 IIBD Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cs1 1341361796 LSIAHSKUTHKQSR-UHFFFAOYSA-N 431.477 4.415 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@H]3CCC(F)(F)C3)CCC2)cc1)c1ccc([N+](=O)[O-])o1 1785747341 NKLCLEHHJPUPHU-ZDUSSCGKSA-N 433.411 4.371 5 20 IIBD Cc1cc[nH]c1C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc([N+](=O)[O-])o3)CCC2)cc1 1787100829 FZJQASUXAYTZLO-VQHVLOKHSA-N 434.452 4.285 5 20 IIBD Cn1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4F)cc3)CCC2)c1 1790622973 ZFXILQVIOFNBAW-UHFFFAOYSA-N 436.443 4.134 5 20 IIBD Cc1ocnc1C(=O)NC1(c2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2)CCC1 1790697767 RCEVYLUQOKTVIR-UHFFFAOYSA-N 438.415 4.092 5 20 IIBD O=C(NC1(c2ccc(NC(=O)C(F)(F)Cl)cc2)CCC1)c1cc(F)cc([N+](=O)[O-])c1 1791723536 VAJXVTUVYQJFHY-UHFFFAOYSA-N 441.793 4.313 5 20 IIBD Cc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4ccccc4o2)C3)cc1[N+](=O)[O-] 1800138919 MTQTZWJHMYFRFU-ACDBMABISA-N 447.491 4.144 5 20 IIBD Cc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c(C)cccc2C)C3)cc1[N+](=O)[O-] 1800139483 VXYZNHRLEOBMHX-WKCHPHFGSA-N 435.524 4.015 5 20 IIBD C[C@@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1 1800530343 KXHYTPFVTUTOQF-KANFNMMFSA-N 439.487 4.180 5 20 IIBD Cc1scc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc([N+](=O)[O-])o3)n[nH]2)c1C 1814310318 YCFGXSKCGNDMDC-HNNXBMFYSA-N 443.485 4.209 5 20 IIBD CC(C)(C)CC(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cc([N+](=O)[O-])ccc2F)CC1 1824945725 BJGTXFJESAICGZ-OAQYLSRUSA-N 447.551 4.332 5 20 IIBD CCC(C)(C)C(=O)N1CC2(CCCN2C(=O)CCCc2cc(C)c(F)cc2[N+](=O)[O-])C1 1841507221 DPKZXORABGLNJF-UHFFFAOYSA-N 433.524 4.005 5 20 IIBD Cc1c(C(=O)N2CC3(CCCN3C(=O)[C@H](C)c3ccccc3)C2)cc(Cl)cc1[N+](=O)[O-] 1847051280 CONVVQYDSPVITD-OAHLLOKOSA-N 441.915 4.177 5 20 IIBD COCCN(C(=O)c1ccc(OC)c(OC)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 14790574 YDPDMYYAWSEGEX-UHFFFAOYSA-N 443.481 4.029 5 20 IIBD NC(=O)c1ccc(CSc2nnc(-c3ccco3)n2C2CCCCC2)c([N+](=O)[O-])c1 16814842 FNPLCCAZFZMWEV-UHFFFAOYSA-N 427.486 4.343 5 20 IIBD C[C@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1Cl 16927353 PYJPOWHKTOFECG-VIFPVBQESA-N 427.638 4.195 5 20 IIBD O=C(NC1CC1)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c1 16966395 UWYMKEFYKVWHKT-UHFFFAOYSA-N 430.464 4.351 5 20 IIBD CSc1ccc(C(=O)COC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 17159592 HMDIBOBJCBBHKS-UHFFFAOYSA-N 439.493 4.218 5 20 IIBD Cc1nc(-c2ccc(F)cc2)sc1C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 18017818 OVHTVRVOCZKDEI-LBPRGKRZSA-N 429.429 4.350 5 20 IIBD Cc1cccc(C)c1NC(=O)COC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 18968554 JPFIUSXPQSCUQW-UHFFFAOYSA-N 439.390 4.214 5 20 IIBD Cc1cc(NC(=O)[C@@H](C)OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)ccc1Br 22550789 GMEDXQIKGVDUKC-ZQNFCJTASA-N 433.258 4.249 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3cnc4c(c3)c(C)nn4C)cc2[N+](=O)[O-])n1 24032831 VRTKFKYDMQFNJZ-UHFFFAOYSA-N 440.510 4.353 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)OCc2nnsc2Cl)cc1[N+](=O)[O-] 24083490 AOXYXLWYPLUZMN-UHFFFAOYSA-N 449.897 4.410 5 20 IIBD C[C@H](OC(=O)[C@H](C)Oc1cccc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 24898124 IFTXJYCQWRWNMF-QWRGUYRKSA-N 427.240 4.239 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCc1cccc2ccccc12 26913047 IZOFLGTZTNFPQZ-NRFANRHFSA-N 438.505 4.343 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(F)c(NS(=O)(=O)c3cccs3)c2)cc1[N+](=O)[O-] 58379858 GIAXNBHRYHJWNU-UHFFFAOYSA-N 435.458 4.157 5 20 IIBD Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NCCc3ccc([N+](=O)[O-])cc3)cc12 65124191 PCCFIIWZKDFMLS-UHFFFAOYSA-N 438.484 4.474 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2ncc(C(=O)O)c2C(F)(F)F)cc1 237569716 FEQIMZDOJYSSDT-UHFFFAOYSA-N 434.330 4.058 5 20 IIBD O=C(N[C@H](c1ccccc1)c1ccc(Cl)cc1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 303320846 ABHVYNYEFQBWGR-OAQYLSRUSA-N 433.855 4.348 5 20 IIBD C[C@H](NC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cccc([N+](=O)[O-])c1 409756166 UNJJVTHSXOWTCO-ZDUSSCGKSA-N 438.406 4.333 5 20 IIBD COc1ccc(Cl)cc1N1CC[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 425969601 BCDVZVXKFLXRFH-KRWDZBQOSA-N 444.919 4.210 5 20 IIBD CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 426875442 OBHIKTIOQWPNAA-FQEVSTJZSA-N 436.859 4.310 5 20 IIBD Cc1cc(C(=O)NCC(=O)Nc2cc(Cl)ccc2OC2CCCC2)ccc1[N+](=O)[O-] 428886042 HROCVKFSTRKYSG-UHFFFAOYSA-N 431.876 4.247 5 20 IIBD O=C(COc1c(Br)cccc1[N+](=O)[O-])Nc1ccc(Br)cc1F 431229275 COZSKBZGXXOVGA-UHFFFAOYSA-N 448.042 4.276 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccoc3Cl)cc2)cc1[N+](=O)[O-] 434018631 QDOLGVNNDPSFEX-UHFFFAOYSA-N 435.845 4.203 5 20 IIBD Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] 434224383 DZRTZLKXJYBWDE-KBPBESRZSA-N 427.505 4.120 5 20 IIBD O=C(NCC1(Cc2ccccc2)CCCCC1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 436005494 XLLBWEMUZHMWPM-UHFFFAOYSA-N 449.507 4.171 5 20 IIBD CCN(Cc1ccc(OC)cc1OC)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 436103681 RQWJKCLOLGAJSL-UHFFFAOYSA-N 434.467 4.500 5 20 IIBD C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 436126587 FCRRNEMROCSSMJ-KFWWJZLASA-N 427.495 4.056 5 20 IIBD O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 444286665 INXBMCSTVWJBMN-HNNXBMFYSA-N 435.886 4.483 5 20 IIBD CCN(CC)C(=O)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1 445664140 DNSVEHBBNBAAML-UHFFFAOYSA-N 434.290 4.021 5 20 IIBD O=C(Nc1cccc(C(=O)N2CCc3ccccc32)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 446902106 IPUMQGOAIPWELC-UHFFFAOYSA-N 442.475 4.388 5 20 IIBD O=C(NCCc1ccccc1)c1ccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 446924113 CVAZKFDFJAPNQY-UHFFFAOYSA-N 444.491 4.158 5 20 IIBD O=C(CSc1ccc(Br)cc1[N+](=O)[O-])NCc1ccc(OC(F)F)cc1 447349960 YORYICCRFTZHBH-UHFFFAOYSA-N 447.257 4.367 5 20 IIBD CCCOc1ccc(-c2nnc(N3CCc4ccc([N+](=O)[O-])cc4C3)n2CC)cc1OC 460221994 MTJAMOWEMUBZPK-UHFFFAOYSA-N 437.500 4.233 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CCC4(CCOCC4)CC3)n2Cc2cccs2)c1 461512927 XMLAEQIREHPMJX-UHFFFAOYSA-N 439.541 4.360 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1 462768361 VFQKOEOKAAXMON-YYDVJCTNSA-N 439.556 4.089 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2nc3cc(C(F)(F)F)ccc3s2)CC1 462849084 BCLMBUQCSPAMMY-UHFFFAOYSA-N 436.415 4.186 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(NC[C@@H](OC)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 462895200 KMASGAPOJLCYCX-LJQANCHMSA-N 441.937 4.078 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 467720442 OFOXCSPVPCZYLG-QGZVFWFLSA-N 448.483 4.198 5 20 IIBD CC(C)[C@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccc(F)cc1F 468369707 ABOAXYJTMPEFCQ-SFHVURJKSA-N 447.467 4.280 5 20 IIBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1cnn(-c2ncccc2Cl)c1C(F)(F)F 470703217 KCIZCKYZRYYNQH-UHFFFAOYSA-N 429.717 4.239 5 20 IIBD Cc1cn([C@@H](C)c2ccccc2)nc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 471581228 NDJCNURHZMCAHG-AWEZNQCLSA-N 434.905 4.472 5 20 IIBD CCOc1ccc(-n2c(Sc3ccc([N+](=O)[O-])c(C)n3)nnc2-c2cccnc2)cc1 471612630 UZOMJAXIDCVENY-UHFFFAOYSA-N 434.481 4.491 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCSC[C@@H]1c1nccs1 472118920 YWLREKIJYGAOOE-GFCCVEGCSA-N 449.501 4.479 5 20 IIBD Cc1ccc(-c2noc([C@@H](C)NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)cc1F 472531109 QEIUBPFXTXQRJT-OLZOCXBDSA-N 430.461 4.450 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cccc(COc3ccccc3)c2C)cc1[N+](=O)[O-] 476401036 YCDPLYMSZROGAY-UHFFFAOYSA-N 428.466 4.292 5 20 IIBD CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cc1ccc([N+](=O)[O-])cc1F 477237994 NEZBSVAUDIZLDB-UHFFFAOYSA-N 432.839 4.419 5 20 IIBD O=[N+]([O-])c1ccc(Nc2ccc(Cc3nnc4n3CCC4)cc2)nc1OCc1ccccc1 477801948 SPZYEZOQKYAORI-UHFFFAOYSA-N 442.479 4.441 5 20 IIBD COC(=O)c1ccc(OC(C)C)c(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 483075417 VSNVRXZSWAZPCQ-UHFFFAOYSA-N 427.457 4.365 5 20 IIBD O=C(NCc1ccc(OC(F)F)cn1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 486584677 GMOFDBQXNZUSHH-UHFFFAOYSA-N 429.379 4.100 5 20 IIBD CC(=O)N[C@@H](CC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(Cl)cc1 486733605 GAOMBBOHESCTAI-KRWDZBQOSA-N 443.809 4.151 5 20 IIBD CCNC(=O)c1cccc(CNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 486773299 OSAYJZYUBLRCHU-UHFFFAOYSA-N 435.505 4.426 5 20 IIBD O=C(c1ccc(Br)cc1C(F)(F)F)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 487063397 ABSJGZSIZHNYKA-UHFFFAOYSA-N 447.211 4.050 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(NC(=O)C(C)C)ccc1C 488592306 JDTYEXWEMPXTGN-UHFFFAOYSA-N 431.514 4.489 5 20 IIBD O=C(NCc1cccc(CO)c1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 489000905 LRPWPFCUCWSMAT-UHFFFAOYSA-N 425.872 4.283 5 20 IIBD CCn1c(SCc2cn(-c3ccc(Cl)cc3)nn2)nnc1-c1ccc([N+](=O)[O-])cc1 489421415 GGXSPYBBOLVDHH-UHFFFAOYSA-N 441.904 4.400 5 20 IIBD COc1ccccc1-c1noc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 489483571 SNTFXTDFWXUPNQ-UONOGXRCSA-N 425.445 4.083 5 20 IIBD O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@H](c4nc5c(s4)CCCC5)C3)n2)cc1 490026308 POTNBRGJKOATGY-HNNXBMFYSA-N 425.514 4.360 5 20 IIBD COc1cccc(Oc2ccc(NC(=O)[C@@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 491268857 VSDGICQMHWTUDF-OAHLLOKOSA-N 435.436 4.153 5 20 IIBD NC(=O)c1ccc(SCC(=O)Nc2ccccc2Oc2cccc(F)c2)c([N+](=O)[O-])c1 492033073 KGGOLQUUTHGRFV-UHFFFAOYSA-N 441.440 4.356 5 20 IIBD O=C(N[C@@H](c1cccc(F)c1)c1ccccn1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 498893260 MQIBNKZCEYYUAG-QHCPKHFHSA-N 434.471 4.251 5 20 IIBD COc1ccccc1Oc1ccc(CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)cc1 503494095 YHWZSLBPFBOWIY-UHFFFAOYSA-N 442.493 4.058 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCOc1cccc(C(F)(F)F)n1 503650639 UIBPZFHHAUMODW-UHFFFAOYSA-N 429.420 4.320 5 20 IIBD COc1ccc(-c2nc(Cc3noc(-c4ccc(NC5CC5)c([N+](=O)[O-])c4)n3)co2)cc1 505074299 RLIJEWMQGLSLJQ-UHFFFAOYSA-N 433.424 4.474 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCCc1cccc2cccnc12 505627028 ZNWPCVCBOPJODF-UHFFFAOYSA-N 447.417 4.116 5 20 IIBD O=C(NC1CCN(Cc2coc(-c3ccccc3)n2)CC1)c1cc2cc([N+](=O)[O-])ccc2o1 506083316 NFXXWCALWMKZKU-UHFFFAOYSA-N 446.463 4.390 5 20 IIBD O=C(NC1(Cc2cccc(F)c2)CCOCC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 508620371 LZVRNMWDGJRPLL-UHFFFAOYSA-N 441.484 4.379 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)[C@H]2CCO[C@@H]2c2ccnn2Cc2ccccc2)cc1[N+](=O)[O-] 509368508 CCLXDGGIELIGKM-MONBJTKQSA-N 434.496 4.103 5 20 IIBD COc1ccc(NC(=O)CN[C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 511877760 IBJLMRFNDWIOFC-IAGOWNOFSA-N 437.418 4.487 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC[C@@H](c4ccnn4C)C3)cc2[N+](=O)[O-])n1 512571946 DVZMFKZWJVWPDA-OAHLLOKOSA-N 443.554 4.264 5 20 IIBD COc1ccc(N(Cc2cccs2)C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 514651041 INKUTRSVAPIYJY-UHFFFAOYSA-N 439.493 4.018 5 20 IIBD CC(=O)NCc1ccc(-c2csc(NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)o1 514844576 RQCOYAGSODXPBP-NSHDSACASA-N 446.510 4.067 5 20 IIBD CCCOc1cc(NC(=O)N2C[C@H](N3CCCC3)C[C@H]2C)c([N+](=O)[O-])cc1OCCC 515081586 LCQJQGCFYDJUIK-IAGOWNOFSA-N 434.537 4.263 5 20 IIBD CCc1cccc2c(C3CCN(C(=O)C(=O)Nc4cc([N+](=O)[O-])ccc4C)CC3)c[nH]c12 516472984 GEDPQBKWNLONCQ-UHFFFAOYSA-N 434.496 4.292 5 20 IIBD COc1ccccc1[C@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 517464555 YABFIYXJQIFJHF-HXUWFJFHSA-N 439.855 4.101 5 20 IIBD COc1ccc([C@@H](Cc2ccc(F)cc2)N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 517556818 YZGRSGFXUMXKPC-DNQXCXABSA-N 449.482 4.421 5 20 IIBD O=[N+]([O-])c1cccc(-n2cc(-c3nc(-c4cccnc4Oc4ccccc4)no3)nn2)c1 518877074 VOKCPDUDOYFJDY-UHFFFAOYSA-N 427.380 4.080 5 20 IIBD O=C1C[C@@H](Nc2cccc(COCCc3ccccc3)c2)C(=O)N1c1cccc([N+](=O)[O-])c1 519946055 QTZMPRIQESJBJP-HSZRJFAPSA-N 445.475 4.098 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1cc2c(cc1Cl)OCCCO2 523877439 ZQURYZIMSUNRCO-UHFFFAOYSA-N 427.240 4.471 5 20 IIBD COc1ccc([C@@H]2CCCCCN2C(=O)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)cc1 524115602 XEOXOZIJJAMBFH-NRFANRHFSA-N 435.484 4.006 5 20 IIBD Cc1cnc(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)s1 525164589 HMUOFAALXVYMIW-UHFFFAOYSA-N 433.493 4.071 5 20 IIBD O=C1c2cccc([N+](=O)[O-])c2C(=O)N1Cc1csc(-c2ccc(Br)cc2)n1 530665038 JCIVOTKXFDDJIT-UHFFFAOYSA-N 444.266 4.277 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CC3CCSCC3)cc2)cc1[N+](=O)[O-] 531881758 PBGSSCUJFIWURS-UHFFFAOYSA-N 449.554 4.176 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CCC[C@@H](COc2ccccc2Cl)C1 532804563 CRGOSEWFIJJOMI-CQSZACIVSA-N 441.871 4.433 5 20 IIBD O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CCC(n2ccc(C(F)(F)F)n2)CC1 537261738 AJOOBGHNVDBNIV-UHFFFAOYSA-N 445.401 4.349 5 20 IIBD O=C(N[C@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1)c1n[nH]cc1[N+](=O)[O-] 540008781 GYHGRIZKPXCFKG-OAHLLOKOSA-N 438.337 4.026 5 20 IIBD COc1ccc(NC(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] 541102393 DLBVPTSZPCJNTA-BFUOFWGJSA-N 436.871 4.210 5 20 IIBD CC1CCN(C[C@@H]2CCCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 541426133 GFMPPLXICMKIEH-INIZCTEOSA-N 425.982 4.311 5 20 IIBD COC(=O)[C@H](NC(=O)CSc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl 543209768 UOHWOHDYVZIUKN-MRXNPFEDSA-N 429.281 4.024 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2cccc(-c3cnn[nH]3)c2)cc1[N+](=O)[O-])c1ccccn1 543440887 QBHRTVLTECYJEJ-AWEZNQCLSA-N 429.440 4.200 5 20 IIBD CC[C@@H](NCCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 543493749 XLDRDETUNBFIIM-LLVKDONJSA-N 432.424 4.148 5 20 IIBD COC(=O)[C@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)Cc1ccc2ccccc2c1 543586239 FMZQDDLHCHXVLF-BEFAXECRSA-N 438.455 4.139 5 20 IIBD COc1ccc(NC(=O)Nc2cc(OC)c(Br)c(OC)c2)cc1[N+](=O)[O-] 543886700 WNRJRMTZCFDDKD-UHFFFAOYSA-N 426.223 4.027 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(Cc2nc(-c3ccccc3)nn2C)no1 545135495 IVDXOVDBBZUDEP-LBPRGKRZSA-N 440.847 4.158 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2Cc2nc(Cc3ccncc3)no2)cc1 545595062 QATPLCPWLSBYOF-UHFFFAOYSA-N 438.447 4.407 5 20 IIBD CO[C@@H](c1ccc(Br)cc1)c1noc(Cn2ccc3cc([N+](=O)[O-])ccc32)n1 546515307 RWGMQBLUGQWWOR-SFHVURJKSA-N 443.257 4.479 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCC(c2cccc(Br)c2)CC1 546669186 DLRWEBKHTJCCKB-UHFFFAOYSA-N 447.285 4.148 5 20 IIBD CC(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(n2cc(Cl)cn2)CC1 549828502 PNCAIQPVFIFOTQ-UHFFFAOYSA-N 429.912 4.201 5 20 IIBD O=C(NCc1cnc(-c2ccc(Cl)cc2)s1)c1cc([N+](=O)[O-])ccc1SCCO 552433579 QJWPTOLMUZDELR-UHFFFAOYSA-N 449.941 4.386 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CN[C@@H](c2ccccc2)[C@@H]2CCCO2)c1 554969520 NUDCHOBYWFRJCM-ROUUACIJSA-N 438.265 4.209 5 20 IIBD O=C(Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2)c1cc(Cl)cc([N+](=O)[O-])c1 556467082 GQPSMIHYGVQSHV-UHFFFAOYSA-N 427.816 4.204 5 20 IIBD Cn1ccnc1[C@H](NC1CCN(c2nc3ccccc3s2)CC1)c1ccc([N+](=O)[O-])cc1 560527710 NWOISYLKYZHOCU-OAQYLSRUSA-N 448.552 4.286 5 20 IIBD CN1CCC(Oc2ccc(CNC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2)CC1 568099978 KHTVYVQYBPPRPX-UHFFFAOYSA-N 425.510 4.213 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCC(CCc3ccc(O)cc3)CC2)c(C)c([N+](=O)[O-])c1 579185432 ZHILQVFQQURCRQ-UHFFFAOYSA-N 441.484 4.272 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(c3ccccc3C(=O)OC(C)(C)C)CC2)n1 588027726 NBTCPZPGXZUSAA-UHFFFAOYSA-N 441.484 4.116 5 20 IIBD Cc1c(I)cc([N+](=O)[O-])cc1-c1nc(-c2n[nH]c3ccccc23)no1 589128609 XXRDDLHQAXSTMT-UHFFFAOYSA-N 447.192 4.101 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(CNc2cc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)ccc2C)c1 589505314 GYSOEQNZSAXPRK-IYBDPMFKSA-N 439.512 4.420 5 20 IIBD O=[N+]([O-])c1cccc(CN(c2nnc(CCc3ccccc3)n2C[C@H]2CCOC2)C2CC2)c1 589677871 URMLZVAUSOEZRQ-OAQYLSRUSA-N 447.539 4.177 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccc(Cl)o3)cc2)cc1[N+](=O)[O-] 590638457 BQAPOJVVJRJJBP-UHFFFAOYSA-N 435.845 4.203 5 20 IIBD CC1CCN(c2ccc(C(=O)NC[C@H](c3cccc(F)c3)N(C)C)cc2[N+](=O)[O-])CC1 603435769 DVMTXEHLNFJZBW-JOCHJYFZSA-N 428.508 4.003 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(N3CCc4sccc4C3)nc2)c1 603634932 PJBBGHBEBVYGCG-UHFFFAOYSA-N 438.509 4.330 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](CCCc1ccccc1)c1ccccc1 603706485 MYBMXUMNODFSCZ-OAQYLSRUSA-N 447.491 4.422 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])N(Cc1cc(Br)ccc1F)C1CC1 603955522 GMQCGQKXUJVWRF-UHFFFAOYSA-N 437.265 4.457 5 20 IIBD C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 604043445 IZQAUDXEUBGRCL-CQSZACIVSA-N 443.456 4.026 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCc2[nH]c3c(Br)cccc3c2C1 604364102 MVXBDZFTQMBLPR-UHFFFAOYSA-N 443.301 4.149 5 20 IIBD O=C(N[C@@H]1CCc2c(Br)cccc21)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 609022352 FVEAYPZEMOCWSC-QGZVFWFLSA-N 430.302 4.375 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(Cc1ccc2c(c1)OCO2)c1ccccc1 609233700 SQVJOQAIFLEUQP-UHFFFAOYSA-N 426.450 4.027 5 20 IIBD Cc1nc(-c2cccs2)c(CC(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)s1 609453467 RRTVABSSNHRZST-UHFFFAOYSA-N 425.495 4.455 5 20 IIBD CCc1ccc(CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C2CC2)cc1 609500139 PLIRCWWMSWJWLT-SFHVURJKSA-N 427.526 4.015 5 20 IIBD CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1 609697558 ICQCHNINOSKVMT-PMERELPUSA-N 426.498 4.080 5 20 IIBD C[C@@H](SCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(=O)N[C@H](C)c1ccc(F)cc1 609770597 CMTRCISWWZMEGL-ZIAGYGMSSA-N 447.488 4.031 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1csc(I)c1 610046550 BWGNTECHOLPYNX-UHFFFAOYSA-N 430.267 4.014 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)c1ccc(Oc2ccccc2)cc1 610114335 HGCPXMTVZORDAQ-FOIQADDNSA-N 437.500 4.497 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC(OCc2ccc(F)cc2)CC1 611261882 QZRAFYRIZWLUHO-UHFFFAOYSA-N 427.476 4.156 5 20 IIBD CC(=O)N1CCCCC[C@@H]1C1CCN(c2ncc([N+](=O)[O-])c(C)c2Br)CC1 612444188 KAZUYRHBOJLPES-MRXNPFEDSA-N 439.354 4.068 5 20 IIBD COc1ccc(C(=O)Nc2ccc(NC(=O)CN3CCCCCCC3)cc2)cc1[N+](=O)[O-] 727323116 MAQGKMACSPRVBU-UHFFFAOYSA-N 440.500 4.060 5 20 IIBD COc1ccc(-c2nc(COC(=O)Cc3ccc(OC)c([N+](=O)[O-])c3)cs2)cc1OC 727881879 JRLSEFQRPDNXHR-UHFFFAOYSA-N 444.465 4.030 5 20 IIBD COc1ccc2cc(/C=C\C(=O)O[C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)ccc2c1 731508748 RLGRLCBXRDCAFT-LPLSSMDUSA-N 432.432 4.119 5 20 IIBD O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Br)Nc1ccc(Cl)cc1Cl 740422439 KKFCZCDNTFEVCI-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD COc1ccc(CNC(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1[N+](=O)[O-] 742567081 LBSSQWNOISTAQE-MGPUTAFESA-N 443.500 4.122 5 20 IIBD CCOc1cc(N2CCC(OC(=O)COc3ccc4c(c3)CCC4)CC2)ccc1[N+](=O)[O-] 744201653 PXGUKEZQSAJBHB-UHFFFAOYSA-N 440.496 4.073 5 20 IIBD O=C(CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)N[C@@H]1CCCS(=O)(=O)C1 746250038 NAWXTQDLWCRWCQ-LJQANCHMSA-N 433.529 4.240 5 20 IIBD C[C@@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)NCCC1=CCCCC1 747956431 GXEKHMMPCCGZQF-CQSZACIVSA-N 429.498 4.270 5 20 IIBD COc1ccc([C@H]2CCCCCN2C(=O)COC(=O)Cc2cccc([N+](=O)[O-])c2C)cc1 748471064 MKELMFIQVDTIBY-JOCHJYFZSA-N 440.496 4.141 5 20 IIBD CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1 748619371 COKYRFQZKUVAMY-GFCCVEGCSA-N 428.445 4.034 5 20 IIBD Cc1ccc(C)c(OC2CCN(C(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)CC2)c1 748629671 HJXYUPLBQOCYHZ-UHFFFAOYSA-N 427.457 4.420 5 20 IIBD O=C(NC1(c2cccc(Br)c2)CCOCC1)c1cccc(Cl)c1[N+](=O)[O-] 750178451 FQLTWRWMADYTCP-UHFFFAOYSA-N 439.693 4.446 5 20 IIBD O=C(COC(=O)CCc1cccc(F)c1F)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 750253478 AESIYOKPIBIXDX-UHFFFAOYSA-N 432.301 4.006 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)cc1[N+](=O)[O-] 753081640 SWVBWHYKJLYGQM-HHHXNRCGSA-N 444.962 4.405 5 20 IIBD COC(=O)c1cc(NC(=O)N[C@H]2CC3(CCC3)Oc3ccccc32)c(C)c([N+](=O)[O-])c1 753141025 SLBSGOZXMAZLKO-KRWDZBQOSA-N 425.441 4.258 5 20 IIBD Cn1ccnc1[C@H](NCC1(C)CCN(C(=O)OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 753586187 DUJXKWQKZKRPQH-LJQANCHMSA-N 443.548 4.045 5 20 IIBD O=C(NCc1cccc(NC(=O)C2CCC2)c1)Nc1ccc(Br)c([N+](=O)[O-])c1 755025205 VYTQRCJKWYPOJW-UHFFFAOYSA-N 447.289 4.418 5 20 IIBD CC[C@@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[C@H](O)c1c(F)cccc1F 755035481 LCYNHEOORPHNBR-CJNGLKHVSA-N 444.232 4.269 5 20 IIBD CCOc1cc(COC(=O)C2CCN(c3nc4ccccc4o3)CC2)ccc1[N+](=O)[O-] 755511775 WFCHJRKSXPLGSL-UHFFFAOYSA-N 425.441 4.095 5 20 IIBD CC[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1NC(=O)OC(C)(C)C 756918522 PVDCGCREOPUOHS-SWLSCSKDSA-N 426.901 4.405 5 20 IIBD COc1ccc(-c2nc(C(=O)O[C@@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)cs2)cc1 759954275 WMHLQTNGUYTYAJ-DLBZAZTESA-N 428.470 4.264 5 20 IIBD C[C@H](OC(=O)c1cc(Cl)c(N)c(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 761450037 JIYBVGMQYQZKLS-ZETCQYMHSA-N 432.647 4.321 5 20 IIBD C[C@@H](Sc1nc2ccccc2s1)C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 762905440 YRKDCCJYZZJYKO-LLVKDONJSA-N 442.478 4.479 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(SC(=O)N(C)C)c1 764236923 VZSYOEDMOWEBSV-UHFFFAOYSA-N 435.527 4.359 5 20 IIBD Nc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cc1[N+](=O)[O-] 768536683 SYLXSNYIGFZBIN-UHFFFAOYSA-N 428.807 4.474 5 20 IIBD O=C(CCNC(=O)OCC(F)(F)F)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 772233293 SRBJCBSWXCSGNO-UHFFFAOYSA-N 449.432 4.425 5 20 IIBD Cc1c(NC(=O)[C@H]2C[C@H](C)C[C@H]2C(=O)Nc2cccc([N+](=O)[O-])c2C)cccc1[N+](=O)[O-] 775765721 MOZTWHLXQMHBAL-DVSIDAKKSA-N 440.456 4.359 5 20 IIBD CC(C)(C)N(CCS(C)(=O)=O)C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 776371139 KGTORBQLPWLGKM-UHFFFAOYSA-N 436.555 4.031 5 20 IIBD CCCC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc1 778168518 AVLOJYXOKNELHS-ZDUSSCGKSA-N 434.395 4.240 5 20 IIBD C[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 780545701 STJCZFILEPIQAI-WMZOPIPTSA-N 449.551 4.447 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1I)c1nc(C2CC2)cs1 781188582 HOPATEOQDHZAEV-MRVPVSSYSA-N 444.250 4.451 5 20 IIBD C[C@H]1COCCN1c1ccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1 781934140 CCUKINFIKUNVEO-AWEZNQCLSA-N 449.457 4.437 5 20 IIBD O=C(NCCc1ccc(F)c(Br)c1)c1cccc([N+](=O)[O-])c1Br 782168109 XQTPSJRHPQMSOX-UHFFFAOYSA-N 446.070 4.231 5 20 IIBD O=C(Cc1cccc(OCC(F)(F)F)c1)O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 784529381 GNBKOBTZJQZMEI-JKSUJKDBSA-N 427.379 4.002 5 20 IIBD Cc1ccccc1[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br)C1CC1 784704897 IORJWFFDZWTRLG-SFHVURJKSA-N 446.301 4.180 5 20 IIBD O=C(NC1(c2cccc(OC(F)(F)F)c2)CCOCC1)c1cc([N+](=O)[O-])ccc1F 785311427 ROPABSVBEPLPLS-UHFFFAOYSA-N 428.338 4.068 5 20 IIBD C[C@@H](C[C@H](O)c1cccs1)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 787470033 KSUHZDPTOUZSMQ-YWZLYKJASA-N 426.494 4.477 5 20 IIBD C[C@@H](NCC1(c2ccc(Br)cc2)CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 788585157 SWLPYOVMEYXHIB-CQSZACIVSA-N 434.334 4.339 5 20 IIBD CCOC(=O)c1csc([C@H]2CCCN2Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)n1 790485310 ZFINUHNWRIDCDA-OAHLLOKOSA-N 435.893 4.026 5 20 IIBD C[C@H]1C[C@H](CCNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CN1Cc1ccccc1 790556205 CMDWYPYNZRWUTH-RDJZCZTQSA-N 433.911 4.347 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2-c2nc(CC(=O)Nc3ccc(F)cc3)no2)CC1 795726464 DQHVFVCOOYKCHP-UHFFFAOYSA-N 439.447 4.201 5 20 IIBD COc1c(C(=O)OCC(=O)N2c3ccccc3CCc3ccccc32)cccc1[N+](=O)[O-] 796304714 CWSKDOFCVZZCAF-UHFFFAOYSA-N 432.432 4.224 5 20 IIBD COc1cccc(-c2nc(COC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)cs2)c1OC 798134107 NCJWVASXKFHIKR-FLIBITNWSA-N 426.450 4.492 5 20 IIBD CO[C@H](COC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 801196374 QIXVARZMTSBUKH-MRXNPFEDSA-N 448.888 4.072 5 20 IIBD CC(C)(C)OC(=O)N1CCC(c2csc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)n2)CC1 807884266 XNXLMOHJCFCYIL-UHFFFAOYSA-N 448.501 4.124 5 20 IIBD COc1cc(C)c(NS(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])c(C)c1C 808116195 KGVRUTMDAYXLOK-UHFFFAOYSA-N 447.282 4.231 5 20 IIBD COc1cc(CSCc2cnnn2-c2ccccc2)c([N+](=O)[O-])cc1OCC(F)F 808374216 HFCWXRKKABUJRZ-UHFFFAOYSA-N 436.440 4.261 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCN(C3CC3)c3ccccc32)c(Cl)cc1Cl 809834445 JIGUQMYDOHEGMM-UHFFFAOYSA-N 428.297 4.079 5 20 IIBD O=C(OCc1cc(I)cc([N+](=O)[O-])c1)c1nccc2ccccc12 811038898 JCIMZMKLUCYQPX-UHFFFAOYSA-N 434.189 4.105 5 20 IIBD O=C(CSc1ccc2c(c1)OCCO2)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 811215322 RTKAOTKJJSKQRA-UHFFFAOYSA-N 444.490 4.325 5 20 IIBD O=C(COC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])Nc1cc([N+](=O)[O-])ccc1Cl 811372537 CCQWNALHFXATMT-UHFFFAOYSA-N 448.602 4.259 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 811473031 TUHVOYPRCVTMFJ-UHFFFAOYSA-N 446.356 4.222 5 20 IIBD Cc1noc2nc(C3CC3)cc(C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c12 812873984 QVRGTFCFZFLZIG-JTQLQIEISA-N 444.831 4.154 5 20 IIBD CCc1nc(C)c(CNc2ccc([N+](=O)[O-])c(NCc3oc(CC)nc3C)c2[N+](=O)[O-])o1 813640442 MZPFEWXGFASMFM-UHFFFAOYSA-N 444.448 4.445 5 20 IIBD CCOC(=O)c1cc2cc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)ccc2s1 914779873 ZRWOSQFZFACZHV-UHFFFAOYSA-N 429.410 4.455 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CCC(n4cccn4)CC3)cc2[N+](=O)[O-])n1 918070723 QQZSSUYTRXJGMO-UHFFFAOYSA-N 429.527 4.185 5 20 IIBD CC1=C(C(=O)OCc2ccccc2)[C@H](c2csc([N+](=O)[O-])c2)NC(=O)N1CC1CC1 918074783 DNISOXSQZAZSOK-IBGZPJMESA-N 427.482 4.150 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H](C)Oc2cccc(C(C)C)c2)c([N+](=O)[O-])c1 919449586 FEJGBOZZQNIOME-HUUCEWRRSA-N 430.457 4.065 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCO[C@@H](c3ccc(Cl)s3)C2)c(C)c([N+](=O)[O-])c1 1116756429 LRBRAEMIWXGWNV-CQSZACIVSA-N 439.877 4.010 5 20 IIBD CCOc1ccccc1OCc1nnc(Cc2ccc([N+](=O)[O-])cc2Br)o1 1118129410 RHFDOILVVQXJME-UHFFFAOYSA-N 434.246 4.309 5 20 IIBD O=C(OCc1ccccc1)[C@H](CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 1320638541 SYXFEMHTSBEXLC-HSZRJFAPSA-N 445.475 4.147 5 20 IIBD CC(C)(C)OC(=O)NC[C@@]1(C)CCN(Cc2ccc([N+](=O)[O-])cc2Br)C1 1321752811 SZBSNDOALJJXJJ-GOSISDBHSA-N 428.327 4.094 5 20 IIBD O=c1c2ccccc2c(-c2nnc(-c3cc([N+](=O)[O-])ccc3F)o2)nn1Cc1ccccc1 1330129499 RXMLZYGBVDGKNC-UHFFFAOYSA-N 443.394 4.209 5 20 IIBD COc1cc(C(=O)N2[C@H](C)CO[C@H](c3ccccc3)[C@H]2C)c([N+](=O)[O-])cc1OC(F)F 1518404307 QTOFTJGAFRUUPG-VPZZIHKRSA-N 436.411 4.196 5 20 IIBD CN(C)c1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C3(NC(=O)C4(C)CC4)CCC3)cc2)c1 1790054225 CHPTZGGRKYAWLD-UHFFFAOYSA-N 436.512 4.209 5 20 IIBD Cc1c(Cl)cccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C2 1792745030 GGZNFNKEVFKZRP-BJWYYQGGSA-N 445.878 4.261 5 20 IIBD CCCC(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)[C@@H]1c1cccnc1 1806407277 NQSIWTYBDGWXIB-IIBYNOLFSA-N 444.919 4.071 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)n[nH]1 1814966108 VSVXSHRVMJJJAX-YCQIBGRGSA-N 429.477 4.053 5 20 IIBD CC/C=C(\C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)n[nH]1 1821846553 ZGWPWIKNVFTMPO-HOWNQORCSA-N 443.479 4.048 5 20 IIBD CS(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)cc1[N+](=O)[O-] 3503262 VHLFMDCAJHKTDO-UHFFFAOYSA-N 445.493 4.086 5 20 IIBD Cc1nc(-c2cccc(Cl)c2)sc1C(=O)OCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 10984020 UBPAWOLORJFTMB-UHFFFAOYSA-N 445.884 4.500 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl 18215916 GQVPGCPITKKDKN-JTQLQIEISA-N 448.854 4.371 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cc([N+](=O)[O-])c1 21357794 NXTASESZUDBTRP-UHFFFAOYSA-N 425.363 4.109 5 20 IIBD CCOc1ccccc1-c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)o1 21545500 HFZRNVWXVPBJKC-UHFFFAOYSA-N 434.861 4.428 5 20 IIBD O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCN(Cc2cccs2)CC1 23735310 UQPOXVNQWWUVQN-UHFFFAOYSA-N 436.537 4.226 5 20 IIBD C[C@H]1Oc2ccc(NC(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)cc2NC1=O 30560551 KJSGWSJKUFBVLE-CQSZACIVSA-N 432.436 4.179 5 20 IIBD CCOc1ccc(NC(=O)COc2ncnc3sc4c(c23)CC[C@H](C)C4)c([N+](=O)[O-])c1 39562030 MIYWRHLKWRYGRZ-LBPRGKRZSA-N 442.497 4.141 5 20 IIBD CCN(C(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1)c1cccc2ccccc12 71885165 OIHUBIYKIJTTEB-UHFFFAOYSA-N 446.507 4.083 5 20 IIBD COc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1I 72068321 XGEKIKCJXDOVHA-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD O=C(Nc1ccc(OCc2noc(C3CC3)n2)cc1)c1cc([N+](=O)[O-])ccc1N1CCCC1 97568343 HLDRDBMROANKPB-UHFFFAOYSA-N 449.467 4.287 5 20 IIBD CC(C)[C@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])Nc1ccccc1 107939547 GPYKNRWNKCWWDU-KRWDZBQOSA-N 425.407 4.402 5 20 IIBD O=C(Nc1ccc(Cl)cn1)C1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 108450260 MIVQEVWKIJWHRR-UHFFFAOYSA-N 439.697 4.261 5 20 IIBD COc1cc(CN[C@H]2CCCN(c3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F 237428231 RVXFXFAQLBRPKV-INIZCTEOSA-N 439.434 4.303 5 20 IIBD O=C(NCc1cccnc1)C1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 301098164 NDSBFIDBJXFESL-UHFFFAOYSA-N 442.825 4.195 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCC(O)(C(F)F)CC1 428660777 OHPJUZTYHODIIE-UHFFFAOYSA-N 426.803 4.273 5 20 IIBD Cc1c(NC(=O)C(=O)N(C)CCCCc2ccccc2)cc(Br)cc1[N+](=O)[O-] 430332960 PPRBRBHJOQENME-UHFFFAOYSA-N 448.317 4.086 5 20 IIBD CC[C@H](CNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1)Oc1cccc(C(F)(F)F)c1 430461794 ZXOIYHYMJJHDLB-CQSZACIVSA-N 442.390 4.218 5 20 IIBD CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 436323959 JBFJZQSCAKRADP-UHFFFAOYSA-N 445.494 4.185 5 20 IIBD CCCOc1ccc(Cl)cc1NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437063085 ZZIKXMKQYYVNII-UHFFFAOYSA-N 431.876 4.167 5 20 IIBD O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437104772 HFSRGVFSXHJWDB-UHFFFAOYSA-N 435.333 4.215 5 20 IIBD COCCc1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 439229393 MRVUTQKUMLCLJS-UHFFFAOYSA-N 426.494 4.179 5 20 IIBD O=C1NC2(CCCCC2)C(=O)N1Cc1ccccc1CNc1c(F)cc([N+](=O)[O-])cc1F 440589603 UIXQMTQTEBFUAG-UHFFFAOYSA-N 444.438 4.240 5 20 IIBD O=C(NCc1nncn1-c1ccccc1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 440753850 ASLPEEFGJWKFAY-UHFFFAOYSA-N 431.477 4.257 5 20 IIBD Cc1cccc([C@@H]2CCCN2C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c1C 441021526 BJRCFPUPTNNBRW-KRWDZBQOSA-N 433.411 4.115 5 20 IIBD CN1CCN(CCNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1(C)C 441345173 KCIIRPJWUUWNGW-UHFFFAOYSA-N 432.952 4.156 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c(O)c2)c1 444374457 MZLIBHLPBQDQEG-UHFFFAOYSA-N 429.498 4.337 5 20 IIBD Cc1ccc(NC(=O)Cc2noc(Cn3c4ccccc4c(=O)c4ccccc43)n2)c(C)c1 445356434 JWVVDRHXFXBJHM-UHFFFAOYSA-N 438.487 4.384 5 20 IIBD Cc1c(CS(=O)(=O)CC(=O)N[C@H](c2ccc(C(C)C)cc2)C(C)C)cccc1[N+](=O)[O-] 447132039 GCXWLSBABGBACQ-QHCPKHFHSA-N 446.569 4.455 5 20 IIBD O=C(CN1CCc2ccccc2C1=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 447559040 RSBPOMQKBDBARA-UHFFFAOYSA-N 439.518 4.445 5 20 IIBD CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 460627326 FCYQRJIPWNSKTB-ZYSBOAIWSA-N 441.557 4.444 5 20 IIBD C[C@H](c1cc(F)ccc1F)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 461527804 XMBDKWHGXHXEPZ-CABCVRRESA-N 443.454 4.365 5 20 IIBD CCCO[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCCO2)CC1 461671205 RWQIXEUMWCMGKA-SFTDATJTSA-N 443.548 4.208 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 463972129 NKTJGHGOIYLURT-QZTJIDSGSA-N 426.517 4.143 5 20 IIBD O=C(NCc1ccccc1Br)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 465782526 NLVBQZCGDLSTMJ-UHFFFAOYSA-N 434.290 4.110 5 20 IIBD O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCN(CC2CC2)c2ccccc21 467121277 WFTJJCHLSIHIDB-UHFFFAOYSA-N 435.402 4.413 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@H]2CCCC[C@H]2n2cccn2)cc1[N+](=O)[O-])c1ccccn1 470679591 QILPSHVDDRZYSM-NBHGPNQESA-N 434.500 4.273 5 20 IIBD COc1cc(C(=O)N[C@H]2CCC[C@@]2(C)CO)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 474142255 NVVHPUWFIIQYMJ-FPOVZHCZSA-N 434.876 4.330 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N(C)Cc3ncc(-c4ccccc4)[nH]3)cc2)c(C)c1[N+](=O)[O-] 478493826 UASNLAYDFDBXDY-UHFFFAOYSA-N 444.495 4.119 5 20 IIBD CCOc1cc(NC(=O)NCc2ncoc2-c2ccccc2)c([N+](=O)[O-])cc1OCC 478927210 WZZOKSPRVNFQSK-UHFFFAOYSA-N 426.429 4.369 5 20 IIBD CC(=O)c1cc(F)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c(F)c1F 479136477 VAJZTXBJZCJLSK-UHFFFAOYSA-N 442.293 4.034 5 20 IIBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H](c2ccc(Cl)cc2)c2cnccn2)c1C 480990564 LGEGEDMKVNUUHO-IBGZPJMESA-N 446.916 4.065 5 20 IIBD C[C@H](N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 481191548 QQBUSBHNXJVUJM-TWOQFEAHSA-N 430.936 4.075 5 20 IIBD CCOc1ccc(-n2c(SCCn3ccc([N+](=O)[O-])n3)nnc2-c2ccccc2)cc1 481239301 ZJPCHJOSYDPJKT-UHFFFAOYSA-N 436.497 4.230 5 20 IIBD COC(=O)c1cc(OCC(=O)N[C@@H](c2ccc(C)cc2)c2cccs2)ccc1[N+](=O)[O-] 481994391 ZTSCEOOLXOTFOZ-NRFANRHFSA-N 440.477 4.036 5 20 IIBD CN(Cc1ccccc1)[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CC1 482493364 YVFJWTLQKQPFOA-SANMLTNESA-N 439.559 4.182 5 20 IIBD O=C(c1sc(Br)cc1[N+](=O)[O-])N1CCC(C(F)(F)F)(C(F)(F)F)C1 485488785 JIZLQMWXOAQGNI-UHFFFAOYSA-N 441.147 4.376 5 20 IIBD C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCC[C@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] 485827673 WOBKHIFNNIPDLV-UIFIKXQLSA-N 435.524 4.337 5 20 IIBD COC(=O)[C@@H](CNC(=O)c1cccc(SC)c1[N+](=O)[O-])Cc1cccc2ccccc12 486229955 KBXSETHGHDSKMR-QGZVFWFLSA-N 438.505 4.232 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 486393362 JXNYVXYGDYOJFD-UHFFFAOYSA-N 443.569 4.357 5 20 IIBD CSc1cccc(C(=O)NC[C@H](C)Oc2ccccc2Br)c1[N+](=O)[O-] 486417305 OPRCFVMAUMFSSB-NSHDSACASA-N 425.304 4.277 5 20 IIBD CCn1c(S[C@@H](C)C(=O)c2ccc(OC)cc2OC)nnc1-c1ccc([N+](=O)[O-])cc1 489395483 VMEMZRGAMYYZAF-ZDUSSCGKSA-N 442.497 4.254 5 20 IIBD O=C(Nc1ccc(Br)cc1)C1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 491089788 HIHMDVCMRVQMCM-UHFFFAOYSA-N 436.281 4.347 5 20 IIBD CCCCCC(=O)NC1CCN(c2cc(CC)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 498643264 NKLPBQNLEIPXQS-UHFFFAOYSA-N 425.533 4.280 5 20 IIBD CC(C)c1nc([C@@H]2COCCN2C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)no1 501922765 YBYVBBOVWDQALW-IBGZPJMESA-N 437.456 4.059 5 20 IIBD O=C(N[C@@H](CCc1ccccc1)c1ccccc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 502968505 HMUYCLLAFPHMBF-NRFANRHFSA-N 427.464 4.279 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc2c(cc1OC(F)F)OCO2 503418041 IJXXNJBTFVMHCP-UHFFFAOYSA-N 440.424 4.357 5 20 IIBD CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(SC)c([N+](=O)[O-])c1 503449133 BKDPPYBBRMHEKS-GOSISDBHSA-N 429.542 4.149 5 20 IIBD Cn1cc(C(=O)NCCCO[C@@H]2CCCc3ccccc32)c(-c2ccc([N+](=O)[O-])cc2)n1 505539900 ZMDCXJSRKHIRAS-JOCHJYFZSA-N 434.496 4.209 5 20 IIBD COc1ccc(OC)c([C@H]2CCCN2C(=O)COc2cc(C)c([N+](=O)[O-])cc2Cl)c1 506430726 CJEVNOXMXXIMBW-QGZVFWFLSA-N 434.876 4.316 5 20 IIBD COc1ccc(-n2c(SCC(=O)c3cccc([N+](=O)[O-])c3)nnc2-c2ccccn2)cc1 508574701 ARBURAWHKWROPF-UHFFFAOYSA-N 447.476 4.221 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1CCN(Cc2cccs2)CC1 509472550 RVHSHJCUCQAFCP-UHFFFAOYSA-N 430.574 4.489 5 20 IIBD CCCCNS(=O)(=O)c1cccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 510033070 CIXCCHYEGUQMFB-UHFFFAOYSA-N 448.545 4.116 5 20 IIBD COc1cc(F)c([C@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 510726210 VDDPZSIOMKUAPD-QWRGUYRKSA-N 426.828 4.049 5 20 IIBD CC[C@H](C)NC(=O)c1cccc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c1 510826543 SAODVVVJDAQKKM-LBPRGKRZSA-N 436.415 4.046 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3cccc4c3oc(=O)n4C)cc2[N+](=O)[O-])n1 511183268 FUDGBNKLYFXLAA-UHFFFAOYSA-N 442.478 4.208 5 20 IIBD COc1cc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc(OC)c1C(C)C 511591541 DFFZNHAIHDNAQX-UHFFFAOYSA-N 428.485 4.419 5 20 IIBD Cc1ccc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1OC(F)F 513382772 GNCDXOWLHOMIDI-UHFFFAOYSA-N 437.218 4.068 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cc(C2CCCC2)nn1-c1ccccc1 514740874 VGCDYTYILAHDTK-UHFFFAOYSA-N 447.495 4.197 5 20 IIBD CCOc1ccc(Oc2cc(CNc3cc4ncnc(O)c4cc3[N+](=O)[O-])ccn2)cc1 515501506 CKLBFVZKVXICBX-UHFFFAOYSA-N 433.424 4.442 5 20 IIBD Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C 515630745 FRJYMYNJSFFIDI-HUUCEWRRSA-N 445.541 4.131 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)cc1[N+](=O)[O-] 515632549 XSBVRBLPSFLMJQ-UHFFFAOYSA-N 437.905 4.030 5 20 IIBD C[C@@H](N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 515757810 PNOXVRJEVQQVQJ-CHWSQXEVSA-N 445.907 4.210 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)c1 516778134 XRHWDDHVCUATMP-DEOSSOPVSA-N 448.475 4.409 5 20 IIBD COc1cc([C@H](C)NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OCCC(C)C 518119263 YHGPGSSYXUNTEE-INIZCTEOSA-N 443.500 4.153 5 20 IIBD CCOc1cc(NC(=O)C(=O)N(CC)[C@H](C)c2ccc(F)cc2)c([N+](=O)[O-])cc1OCC 518133677 AQBIJQUGWLSRGY-CQSZACIVSA-N 447.463 4.080 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 521179958 HDYWWRUITGOCAD-SFHVURJKSA-N 448.262 4.369 5 20 IIBD Cc1ccc(C)c([C@H](C)N(C)S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 523419064 PXSXCJMBMRAORX-ZDUSSCGKSA-N 427.320 4.356 5 20 IIBD CC(C)(C)c1ccc(C(=O)N2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1[N+](=O)[O-] 524509971 RZKBKVBAVRDDGI-UHFFFAOYSA-N 447.894 4.283 5 20 IIBD C[C@@H](CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1C(F)(F)F 524983746 CONRNZFKEXNVQP-HNNXBMFYSA-N 449.429 4.092 5 20 IIBD Cc1ccc(NCCCNC(=O)N2CCC(OCc3ccccc3)CC2)c([N+](=O)[O-])c1 525321619 LPAISNNACLXLFX-UHFFFAOYSA-N 426.517 4.096 5 20 IIBD COC[C@@H]1CCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)C1 525329021 VHWPHVQZSOLOOO-KUHUBIRLSA-N 448.317 4.005 5 20 IIBD Cc1sc(NC(=O)[C@H]2CCCN(C(=O)NCC(C)C)C2)nc1-c1cccc([N+](=O)[O-])c1 525482187 FYJDROAWHAPRPE-INIZCTEOSA-N 445.545 4.043 5 20 IIBD CCOc1cc(C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)c([N+](=O)[O-])cc1OC 525730385 QBYDODGNPVXZPO-UHFFFAOYSA-N 430.848 4.153 5 20 IIBD Cc1cc(Br)cc([N+](=O)[O-])c1OCc1csc(-c2ccc(C(N)=O)cc2)n1 531243316 BBFJYMAAGWAOMV-UHFFFAOYSA-N 448.298 4.467 5 20 IIBD CN(C)Cc1ccc(C(N)=O)cc1NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 532748918 NGBVHRHBTZUQMO-UHFFFAOYSA-N 433.512 4.135 5 20 IIBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 533501062 OHRZQERXQWGPRP-CYBMUJFWSA-N 448.882 4.065 5 20 IIBD Cn1ccnc1[C@H]1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 533699996 KFPVMBVSFIPQFG-HNNXBMFYSA-N 426.860 4.404 5 20 IIBD COc1cc(C(=O)N(C)C[C@@H]2CCC[C@@H]2O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 534391645 WTXIPRVRORETNU-YOEHRIQHSA-N 434.876 4.282 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccc(-c2ccc3c(c2)C[C@@H](C)O3)cc1 534549007 AWNVVLQRYAMVLW-MRXNPFEDSA-N 445.475 4.149 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 534939326 VDPQBWJBHBXROG-INIZCTEOSA-N 447.495 4.254 5 20 IIBD C[C@@H](C(=O)Nc1cccc(Cl)c1)[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 536304440 ARGYPFBEFVPDME-AOAWJKDVSA-N 433.873 4.179 5 20 IIBD CCOCCN(C)C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 539012039 ZCZROYQRNGGRMD-UHFFFAOYSA-N 425.844 4.358 5 20 IIBD CC(C)C[C@@H]1C[C@H](NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CCO1 540760815 RAPJZPCXTVGWHU-QXAKKESOSA-N 426.517 4.486 5 20 IIBD COc1cccc(-c2noc([C@H](C)NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])n2)c1 541261794 BOFKNFUQGSWGPD-NSHDSACASA-N 448.888 4.276 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 541763725 VPHHBXOOAYTTPB-UHFFFAOYSA-N 446.422 4.404 5 20 IIBD COc1ccc(NC(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1[N+](=O)[O-] 542029250 QWHQMWOAZXXKIY-AWEZNQCLSA-N 441.419 4.204 5 20 IIBD CN(C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 542651921 OXAAYSVMAFCULM-JRGCBEDISA-N 447.601 4.201 5 20 IIBD C[C@@H]1C[C@@H](CCNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)CCO1 543252680 UVHKWOFUMPNBMM-KGLIPLIRSA-N 449.554 4.067 5 20 IIBD Cc1noc(C)c1COc1ccc(CC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2O)cc1 543677347 RFQMSDSMUYNXKL-UHFFFAOYSA-N 431.832 4.319 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2ccc(O)cc12 543944132 HNHWSILREJYQAF-UHFFFAOYSA-N 426.450 4.361 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)CCc1c(C)nn(Cc2ccc(C)cc2)c1C 544308877 QPIHBILVSHVSOW-UHFFFAOYSA-N 436.512 4.022 5 20 IIBD CC(C)Oc1ccc(-c2noc(-c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)n2)cc1 545048479 OBTXXBLSOANHDP-UHFFFAOYSA-N 438.469 4.379 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(-c3ccc(OC4CCOCC4)cc3)no2)ccc1N1CCCC1 545797724 YZVVOLZAXNZICE-UHFFFAOYSA-N 436.468 4.470 5 20 IIBD O=c1c2ccccc2n(Cc2nc(-c3ccc(OCC(F)F)nc3)no2)c2ccccc12 545847684 SEQIPRVLXQJRIJ-UHFFFAOYSA-N 434.402 4.292 5 20 IIBD O=C(Nc1ccccc1C(=O)N1CCOCC2(CCC2)C1)c1ccc([N+](=O)[O-])cc1Cl 546864566 MWXLNUMFZXMWEC-UHFFFAOYSA-N 443.887 4.143 5 20 IIBD CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](OCc2ccccc2F)C1 549136113 MURGXWSWHVRYNL-IBGZPJMESA-N 425.464 4.198 5 20 IIBD Cc1ccc(C)c(NC(=O)[C@@H](C)[S@@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1 550957456 VVIPWLLSCGGAJU-FOGNVHKLSA-N 427.482 4.143 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N1CCC[C@H](c2ccccc2)C1 558303927 NEGAJUDQYYNMJQ-AWEZNQCLSA-N 436.249 4.219 5 20 IIBD COCC1(C)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2ccccc2)CC1 558940942 GVMXSCYRANTJGP-UHFFFAOYSA-N 435.528 4.349 5 20 IIBD O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CCC(OC[C@H]2CCCO2)CC1 563524250 UHLNXXVOBUQYAZ-IUPXNIOVSA-N 431.514 4.411 5 20 IIBD Cn1cc(-c2ccc3c(c2)N(CC2CN(Cc4cccc([N+](=O)[O-])c4)C2)CC3(C)C)cn1 565430144 DJVFBMUGXFZICE-UHFFFAOYSA-N 431.540 4.225 5 20 IIBD O=C(Nc1ccc(OCc2ccccn2)c(F)c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 574729557 ZRGSJSHEHCNGOA-UHFFFAOYSA-N 438.415 4.134 5 20 IIBD CCn1cnnc1-c1ccccc1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 575732293 ZVNHMZQJUIEXSM-UHFFFAOYSA-N 430.262 4.196 5 20 IIBD COCCOCCN(C)C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 576145387 FCRHSBBSNJWLBI-UHFFFAOYSA-N 447.538 4.091 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 578055063 YZXADFZOWPEEBF-UHFFFAOYSA-N 427.486 4.248 5 20 IIBD COc1ccc(N(Cc2cccs2)C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)cc1 603565758 QDDMTTSDLWWSEK-UHFFFAOYSA-N 449.492 4.401 5 20 IIBD CCOc1ccc([C@H](NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 603613191 WXBKBQHIPYYMDW-XMMPIXPASA-N 447.491 4.019 5 20 IIBD CCOc1ccc([C@@H](C)NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1OC 603686784 ASWUHOGBEGHOFP-GFCCVEGCSA-N 442.390 4.434 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 603976985 OTPUAWREMHBHEN-UHFFFAOYSA-N 435.477 4.362 5 20 IIBD O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 604258127 SXKLPCZJDIXVRH-STQMWFEESA-N 439.356 4.398 5 20 IIBD COc1ccc(C(=O)N2c3ccccc3CC[C@@H]2C(=O)Nc2ccccc2)cc1[N+](=O)[O-] 608799619 YPYXCHFZXLGGNC-HXUWFJFHSA-N 431.448 4.204 5 20 IIBD CN(CCCCNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1ccccc1 608830837 QAZZDTWQNGUQPN-UHFFFAOYSA-N 427.892 4.123 5 20 IIBD CCOc1cc(NC(=O)N[C@@H](c2ccccc2)[C@@H]2CCCO2)c([N+](=O)[O-])cc1OCC 608840540 KMYACLLAKAXPFL-RXVVDRJESA-N 429.473 4.434 5 20 IIBD COc1ccc(C[C@@H](NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c2ccccc2)cc1OC 608948524 BZXWWRNOJRIHBI-LJQANCHMSA-N 436.464 4.334 5 20 IIBD Nc1c(C(=O)N2CCC(c3nc(-c4ccccc4)cs3)CC2)cc(F)cc1[N+](=O)[O-] 609491186 NHTOOHJFAKXKCF-UHFFFAOYSA-N 426.473 4.459 5 20 IIBD C[C@](CO)(NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc(C(F)(F)F)c1 609711579 CNOYPRGOXGEKGM-QGZVFWFLSA-N 449.332 4.244 5 20 IIBD C[C@H](SCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(=O)Nc1cccc(Cl)c1 609770347 NGFFMUUYVBPNOI-LBPRGKRZSA-N 435.889 4.307 5 20 IIBD COc1cc(C(=O)Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)cc([N+](=O)[O-])c1OC 610179604 AYXRTISHWHUMND-CQSZACIVSA-N 425.441 4.159 5 20 IIBD C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 610212550 FVIGBGPJCNYYAM-OAHLLOKOSA-N 427.892 4.105 5 20 IIBD COc1cc(OC)c(C2CCN(C(=O)NCc3cccc([N+](=O)[O-])c3C)CC2)c(OC)c1 616313121 RUIIAPXCEISMHR-UHFFFAOYSA-N 443.500 4.018 5 20 IIBD COc1ccc(NC(=O)c2ccc(NCc3cc4c(cc3[N+](=O)[O-])OCCO4)cc2)cc1 618616918 PVUOAKDINKAEKK-UHFFFAOYSA-N 435.436 4.239 5 20 IIBD Cc1c(C(=O)N[C@H]2C[C@H]2c2cccc(Br)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 726520523 ZNOOZFCDUIYPET-GJZGRUSLSA-N 434.246 4.168 5 20 IIBD O=C1CN(CN(CCc2ccccc2)Cc2ccccc2)C(=O)N1c1cccc([N+](=O)[O-])c1 726587027 UZAPJVUTBXSXPM-UHFFFAOYSA-N 444.491 4.066 5 20 IIBD Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1[N+](=O)[O-] 726930922 FVWMKYZNKBKBKL-UHFFFAOYSA-N 437.290 4.133 5 20 IIBD COc1cc([C@H](C)NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])ccc1OCc1ccncc1 727707660 BMQMMOKEXPCWLO-ZDUSSCGKSA-N 443.406 4.347 5 20 IIBD CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2cccc(F)c2F)NC(=O)N1CC1CC1 730765706 GPOAPWNXYOKFQU-HXUWFJFHSA-N 442.422 4.262 5 20 IIBD CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)NCc3cccc([N+](=O)[O-])c3)cc2C1 732435823 PASUVGPGNMYKNS-UHFFFAOYSA-N 426.473 4.210 5 20 IIBD CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)/C=C/C1CCOCC1 732627759 KXNONZKHIPVUCG-VOTSOKGWSA-N 430.482 4.421 5 20 IIBD CSc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1Br 740424049 XDXNOCHKNHCJFL-JTQLQIEISA-N 439.287 4.263 5 20 IIBD C[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)c1cccc(F)c1 741922273 RIJMGSUEDKAGNI-CYBMUJFWSA-N 425.382 4.205 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)cc1[N+](=O)[O-] 743267148 KMVMIMSSKPMSMN-CQSZACIVSA-N 435.502 4.290 5 20 IIBD COc1ccc2cc([C@@H](C)OC(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)ccc2c1 745955873 RNYGKTLPOKMWJI-CYBMUJFWSA-N 429.450 4.078 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 747418746 MEFNIANWNOBUCU-WMZOPIPTSA-N 426.366 4.481 5 20 IIBD CCC[C@H](C)CC(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 748607686 SQQXKYYMPGBBTA-IEMQHYRPSA-N 439.921 4.227 5 20 IIBD CCOC(=O)C[C@H](c1ccccc1)C1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 750094192 YOHLATVPNRAGQW-DHIUTWEWSA-N 426.513 4.077 5 20 IIBD O=C(COC(=O)CCc1ccc(F)cc1F)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 751853139 LTDITXWCDOPKGS-UHFFFAOYSA-N 432.301 4.006 5 20 IIBD O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1ccc2ccc(Cl)cc2n1 752178418 LZNUXWBCSCYMCB-UHFFFAOYSA-N 426.860 4.265 5 20 IIBD O=C(COc1ccc2ccccc2c1Br)OCC(=O)c1cccc([N+](=O)[O-])c1 753413993 GHVLXFRBFDUDSA-UHFFFAOYSA-N 444.237 4.315 5 20 IIBD COc1ccc(CN2CCC[C@@H](C3(C)OCCO3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 753593798 HQXFPKBSDVZVRA-HXUWFJFHSA-N 442.512 4.157 5 20 IIBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC[C@H]1c1ccccc1Br 756197005 ULYQPDWDPDOXTL-AWEZNQCLSA-N 429.267 4.022 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1ccc(OC2CCCCC2)cc1 757270309 AKWXWNUBYGCARA-UHFFFAOYSA-N 431.876 4.215 5 20 IIBD Cc1cc(F)c(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1F 758084819 MWTBSAMWPDXZCD-VIFPVBQESA-N 432.301 4.384 5 20 IIBD CC(C)[C@H](CCN(C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC(=O)OC(C)(C)C 759278273 MYGJKHFCBVVSJJ-SFHVURJKSA-N 432.521 4.016 5 20 IIBD C[C@@H]1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)c2ccccc2S1 760366280 WRQCAZXQBDMWFT-SNVBAGLBSA-N 429.317 4.047 5 20 IIBD CC(C)(C)C(=O)NCc1ccc(C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 760524755 DPVOAWWAYRDQER-UHFFFAOYSA-N 437.452 4.269 5 20 IIBD CC(C)c1[nH]nc(-c2nc(Cc3ccc(NC(=O)OC(C)(C)C)cc3)no2)c1[N+](=O)[O-] 762287055 OCIKZPAHPMWPJI-UHFFFAOYSA-N 428.449 4.429 5 20 IIBD C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 762444743 SUUGHIKLERIOKG-CABCVRRESA-N 437.512 4.163 5 20 IIBD C[C@H](OC(=O)[C@@H](C)Sc1nc2ccccc2s1)C(=O)Nc1ccccc1[N+](=O)[O-] 762910725 UFKWHWXBHWCGOX-NWDGAFQWSA-N 431.495 4.256 5 20 IIBD O=C(Nc1cc(Br)ccc1N1CCCC1)c1cc(F)c([N+](=O)[O-])cc1F 763516907 PPNKADRKPQFIHM-UHFFFAOYSA-N 426.217 4.488 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cccc([N+](=O)[O-])c1 763893709 FGIHSHPPUIITPZ-FQEVSTJZSA-N 439.468 4.255 5 20 IIBD C[C@](O)(CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)c1ccco1 764369819 ROYJFCQELQTSQE-NRFANRHFSA-N 429.860 4.091 5 20 IIBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1noc(-c2ccc(Cl)cc2)n1 765141642 FHGOBEIYEDSICF-CYBMUJFWSA-N 441.875 4.389 5 20 IIBD CN1C(=O)c2cc(Br)ccc2N[C@@H]1c1ccc(Br)c([N+](=O)[O-])c1 771098737 UCGMUHJNQHYFBX-AWEZNQCLSA-N 441.079 4.316 5 20 IIBD CC(C)([C@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1)[N+](=O)[O-] 774368371 JTWKHPZYBCUCQY-QGZVFWFLSA-N 437.246 4.240 5 20 IIBD Cc1csc(Sc2ccc(C(=O)O[C@H]3CCO[C@]4(CCOC4)C3)cc2[N+](=O)[O-])n1 774944317 BZZMWFHCKOYDTE-IFXJQAMLSA-N 436.511 4.006 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)Cc1csc(NC(=O)c2ccccc2)n1 778760894 FFCWTIWDACNPLS-CQSZACIVSA-N 425.466 4.459 5 20 IIBD COc1cc([C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C(F)(F)F)cc(OC)c1OC 779328045 WGRGOUIOOCPTSE-INIZCTEOSA-N 448.781 4.307 5 20 IIBD COc1ccc(CNC(=O)c2ccccc2NC(=O)OCc2ccccc2)cc1[N+](=O)[O-] 781955354 PIDWQVBWEMPKQF-UHFFFAOYSA-N 435.436 4.282 5 20 IIBD C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccccc1NC(=O)c1csc([N+](=O)[O-])c1 783592520 IGJVRRXIXOOQAF-JTQLQIEISA-N 446.466 4.369 5 20 IIBD Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H](C)c1ccc(F)cc1 784739862 BKMJTXROBWEEKW-LLVKDONJSA-N 431.283 4.187 5 20 IIBD CNc1ccc(C(=O)N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)cc1[N+](=O)[O-] 787666450 SQXHTPITIWPMDY-UHFFFAOYSA-N 431.492 4.427 5 20 IIBD Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Br 791018004 PDGJNHJLIBUUPR-UHFFFAOYSA-N 437.200 4.288 5 20 IIBD CN1C(=O)C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]1c1ccc(Cl)c(Cl)c1 792524032 DQUCGOPMPUPUCT-DIFFPNOSSA-N 426.231 4.199 5 20 IIBD COc1cc(COC(=O)[C@@H]2CCC(=O)c3ccccc32)c([N+](=O)[O-])cc1OCC(F)F 792659968 OVNGVTCKQIIKMQ-OAHLLOKOSA-N 435.379 4.051 5 20 IIBD O=C(CN[C@@H](c1cncc(Br)c1)C1CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 792935924 SDGXEFVXXAOCJK-QGZVFWFLSA-N 439.697 4.085 5 20 IIBD O=c1oc(-c2ccccc2[N+](=O)[O-])nn1CN1CCc2sccc2[C@H]1c1cccs1 794616120 FUEPVWSEMVUQTK-SFHVURJKSA-N 440.506 4.140 5 20 IIBD O=C(OCc1cncc(F)c1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 795390447 HOEPIDXQSMMWGJ-UHFFFAOYSA-N 427.354 4.108 5 20 IIBD CCC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)c1 795610774 OAFYFJUVHMKIRE-UHFFFAOYSA-N 448.888 4.136 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C 800152140 UFBRSTRRXGMONV-UHFFFAOYSA-N 437.353 4.262 5 20 IIBD Cc1cc(S(=O)(=O)Nc2ccc(Br)c3cccnc23)cc([N+](=O)[O-])c1F 800844046 XRFHPVLEFYIWNP-UHFFFAOYSA-N 440.250 4.154 5 20 IIBD NC(=O)[C@H](OC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccc(Br)cc1 811374021 XEWFFFZEGWQIBL-CYBMUJFWSA-N 448.056 4.048 5 20 IIBD C[C@@H](NC(=O)N1CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1cccc([N+](=O)[O-])c1 811864938 QCGXCEDVBVVRJI-APWZRJJASA-N 446.548 4.334 5 20 IIBD O=C1O[C@]2(CCCc3ccccc32)C(=O)N1Cc1ccc(Br)c([N+](=O)[O-])c1 814266047 VJWPTPIOVOEAKO-IBGZPJMESA-N 431.242 4.068 5 20 IIBD CCn1c(O)nnc1S[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 844263330 TWNKHIVHRDFWFY-HNNXBMFYSA-N 433.877 4.037 5 20 IIBD CC(C)(C)OC(=O)NC1(c2noc(-c3cc4ccccc4c([N+](=O)[O-])c3N)n2)CCC1 904552607 QXDMZPBIXMBLSZ-UHFFFAOYSA-N 425.445 4.284 5 20 IIBD COc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 913073339 WVFMUABETBFSDL-UHFFFAOYSA-N 447.852 4.256 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nnc3n2CCCCCC3)cc1 915337923 XUVTVTWYEWHHSK-UHFFFAOYSA-N 449.515 4.203 5 20 IIBD COc1ccccc1[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)OC(C)(C)C 917088778 LVXRUOHRTFQZPN-MRXNPFEDSA-N 432.433 4.190 5 20 IIBD C[C@H](OC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C(=O)Nc1ccccc1Br 917331134 KMWWIULFMCGYOR-JTQLQIEISA-N 432.230 4.023 5 20 IIBD COc1ccccc1OCC(=O)Nc1cccc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c1 917782998 CLVYEGAGOZKJML-KAMYIIQDSA-N 447.447 4.273 5 20 IIBD CN(Cc1ccc2ccccc2c1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 917856660 CTIDOQOLNRGBBL-UHFFFAOYSA-N 435.299 4.331 5 20 IIBD CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2ccc(-c3ccccc3)o2)NC(=S)N1 917878858 JJZGAHOEIZCQBA-FQEVSTJZSA-N 434.477 4.286 5 20 IIBD O=C(C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1)OCc1cc(F)ccc1[N+](=O)[O-] 919134587 DUSKFBBETHYOQC-HXUWFJFHSA-N 438.411 4.044 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 919899120 GKHGIHATQSMANB-UHFFFAOYSA-N 437.283 4.282 5 20 IIBD C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCC[C@@H]2c2cccc3ccccc23)C1=O 919950280 IBMHTHIOOCIKHQ-RCZVLFRGSA-N 444.491 4.310 5 20 IIBD CC1CCC(NC(=O)COC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 920547685 PNUITXHTNSFATA-UPTPFMHGSA-N 440.500 4.015 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2cccnc2SC(F)(F)F)cccc1[N+](=O)[O-] 920700189 ROYUZHMJKLMKNN-JTQLQIEISA-N 429.376 4.094 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Br)C1 1116674126 UQGLWXFPBQMLKU-CYBMUJFWSA-N 428.327 4.094 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)CN(C)C(=O)OC(C)(C)C 1320053728 ZSGNMVNKGBHHKL-AWEZNQCLSA-N 425.551 4.328 5 20 IIBD CC(=O)N1Cc2ccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3Cl)cc2C1 1341368558 BUOYNQPGKPPEFK-UHFFFAOYSA-N 438.665 4.125 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)c3ccc(F)s3)CCC2)cc1)c1ccc([N+](=O)[O-])o1 1785748065 ITFOITGUVBRCNO-UHFFFAOYSA-N 429.429 4.450 5 20 IIBD O=C(Cc1cc([N+](=O)[O-])ccc1F)NC1(c2ccc(NC(=O)c3ccco3)cc2)CCC1 1787268443 ZEVALWBJMWCKTL-UHFFFAOYSA-N 437.427 4.317 5 20 IIBD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)Cc4cccc([N+](=O)[O-])c4)CCC3)cc2)c[nH]1 1788811614 KBDPPIZPMBCALV-UHFFFAOYSA-N 432.480 4.222 5 20 IIBD CCOc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])[nH]4)cc3)CCC2)c1 1790187237 KUXAXTIIESSIEC-UHFFFAOYSA-N 448.479 4.383 5 20 IIBD CCO/C=C/C(=O)NC1(c2ccc(NC(=O)c3cccc(F)c3[N+](=O)[O-])cc2)CCC1 1790698782 NEWYKLCGFIXRQA-SDNWHVSQSA-N 427.432 4.032 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])o1)c1ccc(Cl)c(Cl)c1 1792398431 UXPHMBTXWLMFLY-CLLJXQQHSA-N 438.267 4.060 5 20 IIBD Cc1c(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C(C)(C)C(C)(F)F)cc(Cl)cc1[N+](=O)[O-] 1847880108 SWNVSYQXIKHCFM-GJZGRUSLSA-N 443.878 4.053 5 20 IIBD C[C@H](OC(=O)c1ccccc1Br)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 3506865 HSUOZKFHVWHCME-VIFPVBQESA-N 427.638 4.195 5 20 IIBD C[C@H](OC(=O)CCSc1ccccc1Cl)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 10404729 OGOIOTQUGBUKIN-NSHDSACASA-N 426.853 4.440 5 20 IIBD NC(=O)c1ccc(SCC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c([N+](=O)[O-])c1 10421796 WXMLBWUSLCSPLI-UHFFFAOYSA-N 448.460 4.233 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1Cl 15710083 KGCOHQQYCDVMRR-SNVBAGLBSA-N 427.240 4.403 5 20 IIBD CSc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 16832540 IZLOMWQMTSYJKO-UHFFFAOYSA-N 443.506 4.370 5 20 IIBD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NCCc1cccs1 17909826 DFITXPHEGRWGBS-UHFFFAOYSA-N 432.505 4.410 5 20 IIBD COc1ccc2cc([C@H](C)C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3F)ccc2c1 18441424 YLSGWUPKLDPFKA-ZDUSSCGKSA-N 426.400 4.181 5 20 IIBD COc1cc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)ccc1OC(F)F 20923225 QROWESJUDRCMFD-UHFFFAOYSA-N 435.427 4.077 5 20 IIBD CCOc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)o1 21545505 ODFVSZKHAMQRNL-GFCCVEGCSA-N 444.469 4.171 5 20 IIBD COC(=O)[C@@H](C)NC(=O)c1ccc(N[C@@H](C)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 26774842 QNGHJXNCGGGAAF-NWDGAFQWSA-N 439.390 4.078 5 20 IIBD Cc1ccc(C)c(OCCC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 28811067 LTVLMOYWDDVMIV-UHFFFAOYSA-N 440.374 4.181 5 20 IIBD NC(=O)Nc1cccc(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c1 58569308 CHHAEYMAOSGSGR-UHFFFAOYSA-N 440.843 4.461 5 20 IIBD CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(OC)cc1 60520242 QHPKLVQKDQZXJE-IFMALSPDSA-N 425.485 4.322 5 20 IIBD CNC(=O)c1ccc(Sc2nnc(-c3ccoc3C)n2Cc2ccccc2)c([N+](=O)[O-])c1 64905343 DHKUICNCBPEXLT-UHFFFAOYSA-N 449.492 4.314 5 20 IIBD COC(=O)C[C@@H](NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccs1 105564905 RNPNBMPDVPAXNK-LLVKDONJSA-N 448.444 4.188 5 20 IIBD Cc1c(C(=O)Nc2ccccc2N2CCc3ccccc32)nnn1-c1cccc([N+](=O)[O-])c1 106066692 ZVTOSBRGIVUUIU-UHFFFAOYSA-N 440.463 4.430 5 20 IIBD O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 117223522 HCZIRKBWUNJSEB-UHFFFAOYSA-N 440.309 4.236 5 20 IIBD O=C(NC1CC1)c1ccc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 301187795 WLQWEHPFISYCMJ-OAQYLSRUSA-N 429.904 4.090 5 20 IIBD CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 301506772 KRPAZOVLJURUFH-UHFFFAOYSA-N 449.389 4.124 5 20 IIBD Cc1nc(Sc2nnc(N3C[C@@H](C)C[C@@H](C)C3)n2Cc2ccco2)ccc1[N+](=O)[O-] 301642741 MTHQMEOFDSLMDR-OKILXGFUSA-N 428.518 4.165 5 20 IIBD O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 303077550 RZPSMZKRRMMPSN-UHFFFAOYSA-N 427.392 4.435 5 20 IIBD C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 410077498 UKFUSVVIDUXATA-LPMFXHHGSA-N 449.429 4.342 5 20 IIBD COc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc2cc(F)c(Br)cc2s1 427349571 KCSSZNNQBNHATM-UHFFFAOYSA-N 426.223 4.367 5 20 IIBD O=C(CN(Cc1cccnc1)c1ccccc1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 427595160 TYBVJSJDJCTDQT-UHFFFAOYSA-N 444.413 4.332 5 20 IIBD CN(Cc1ccc(Br)c(F)c1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 427738756 AVKHCPRDSFYPTK-UHFFFAOYSA-N 447.264 4.169 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 427782771 OLIJAFWJNFSZLR-GFCCVEGCSA-N 441.962 4.152 5 20 IIBD C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 428787488 QITMJPKQXKTSQW-ORAYPTAESA-N 438.402 4.442 5 20 IIBD COc1ccc(Br)c(CN(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c1 429032805 WYXDBNDUQNEJFK-UHFFFAOYSA-N 427.682 4.220 5 20 IIBD CC(C)(NCC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)c1ccccc1[N+](=O)[O-] 429260580 BYIRPOUSIIHDBQ-UHFFFAOYSA-N 438.509 4.372 5 20 IIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N(CCc1ccccn1)Cc1cccnc1 431299077 VTKXEZPQMBHNKW-UHFFFAOYSA-N 448.526 4.216 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N(CCc1ccccn1)Cc1cccnc1 431310871 FUDXIOVUDIKXTP-UHFFFAOYSA-N 440.887 4.079 5 20 IIBD CC1(C)C[C@H](Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)c2cc([N+](=O)[O-])ccc21 433217139 BEMNXWXTMZZQEC-SFHVURJKSA-N 426.498 4.019 5 20 IIBD C[C@H]1CN(CCCNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CCCO1 433494899 YHLNHYCPCUDMBQ-KRWDZBQOSA-N 428.489 4.010 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)Nc1ccn(Cc2ccncc2)n1 434155276 WQFUEXOQHXTNGM-UHFFFAOYSA-N 430.424 4.671 5 20 IIBD CC(=O)Nc1cccc(Nc2nnc(SCc3nc4cc([N+](=O)[O-])ccc4o3)s2)c1 434804310 SFBNQJQNABGCNK-UHFFFAOYSA-N 442.482 4.582 5 20 IIBD Cc1cc(CN(C)C(=O)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(C)C)ccc1F 436060247 DRCHJEUXECYXLU-LJQANCHMSA-N 435.883 4.109 5 20 IIBD Cc1nc(-c2ccc(NC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)cc2)n[nH]1 436255155 WITXCWMZCVJQJP-UHFFFAOYSA-N 431.402 4.305 5 20 IIBD C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 437889083 MLWMGLNNIIVGDG-CQSZACIVSA-N 438.402 4.451 5 20 IIBD CC(C)CN1CCCC[C@@H]1CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 439684553 BJFYGUHLLFJVNW-UYAOXDASSA-N 439.560 4.403 5 20 IIBD Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3ccc4cc([N+](=O)[O-])ccc4n3)c12 440624479 LSGRJAHCQYMHTR-UHFFFAOYSA-N 444.476 4.714 5 20 IIBD COCc1nc(CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(-c2ccccc2)s1 440991748 PIKGMOINNHEDGJ-AWEZNQCLSA-N 426.498 4.425 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)N(C[C@@H]2CCN(Cc3ccccc3)C2)CC(F)(F)F)c1 443997650 XZWXZIQELYFHSN-GOSISDBHSA-N 435.446 4.430 5 20 IIBD O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCO[C@]2(CCc3ccccc32)C1 444249881 WIBXQUXEQBFAIT-AREMUKBSSA-N 428.463 4.135 5 20 IIBD C[C@@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)[C@H]1CCN(Cc2ccccc2)C1 444304889 YFKHNMXRTUWULR-MJGOQNOKSA-N 443.522 4.461 5 20 IIBD Cn1cnc([N+](=O)[O-])c1-c1noc(-c2ccc(Cl)c(NC(=O)c3cccs3)c2)n1 445571565 AFHBLMFWBHWRED-UHFFFAOYSA-N 430.833 4.013 5 20 IIBD C[C@H](NC(=O)N1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1)c1cccc([N+](=O)[O-])c1 445696911 LIDGQXWQSZOETQ-MAUKXSAKSA-N 436.468 4.006 5 20 IIBD O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@H]1CCCN(C(=O)c2ccncc2)C1 460128924 HPQVUZDRGKDOIL-SFHVURJKSA-N 446.463 4.273 5 20 IIBD CN(C(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 460463729 WKKIPIHWQWVUMZ-QHCPKHFHSA-N 445.519 4.263 5 20 IIBD COc1cccc(C[C@]2(C(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)C[C@H]3CC[C@H]2C3)c1 461410731 ZDPYSWULCVZJEB-KHOMTPLRSA-N 436.508 4.374 5 20 IIBD COc1cc(OC)cc(-c2cccc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)n2)c1 462835073 AFRPHHKGYUHPNE-UHFFFAOYSA-N 432.436 4.337 5 20 IIBD CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 462944765 KRFNCRZCEWWHHC-LBPRGKRZSA-N 439.381 4.214 5 20 IIBD CN(CC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2)c1ccccc1[N+](=O)[O-] 463752226 AIGADGUAHPYKAF-UHFFFAOYSA-N 439.493 4.097 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O 466026929 AMSDNMHMBVKELY-LJQANCHMSA-N 444.919 4.364 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)Nc1cc(Cl)ccc1N1CCOCC1 467097730 QPIHNHSOSBUEJW-UHFFFAOYSA-N 425.272 4.060 5 20 IIBD O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 467986072 VHINJIMZPNWPRN-HNNXBMFYSA-N 433.333 4.342 5 20 IIBD Cn1cc(-c2ncccc2NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cn1 468268770 AFXBDWLOKONPLR-UHFFFAOYSA-N 428.452 4.255 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)c1 475067300 JFLPKULVOXHUFS-AWEZNQCLSA-N 440.308 4.159 5 20 IIBD O=C(NCc1cccc(CN2CCCC2=O)c1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 475218951 YGHDBPSISIIDGK-UHFFFAOYSA-N 436.390 4.058 5 20 IIBD COc1cc(N[C@@H]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)cc(OC)c1 475456177 CIKWEMZHHROFOW-CYBMUJFWSA-N 434.880 4.374 5 20 IIBD CC(C)c1ccccc1-n1c(SCc2c([N+](=O)[O-])ncn2C)nnc1-c1cccnc1 476490116 YBWJOTLFIJRHPK-UHFFFAOYSA-N 435.513 4.387 5 20 IIBD CCOc1cc(N2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)CC2)ccc1[N+](=O)[O-] 477354241 NVOMCMNTWYAOAY-RBUKOAKNSA-N 429.904 4.099 5 20 IIBD O=C(Nc1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc(Cl)cc1[N+](=O)[O-] 478427073 LYTNUTVSXJYQBM-UHFFFAOYSA-N 431.857 4.301 5 20 IIBD COc1cc(C(=O)Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)cc([N+](=O)[O-])c1C 479939576 HWTTYQIQAJGIMN-UHFFFAOYSA-N 445.475 4.296 5 20 IIBD COc1ccccc1C[C@H]1CCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br 479994816 WYJRBTVCOOPXTD-OAHLLOKOSA-N 448.317 4.012 5 20 IIBD COc1cc(C(=O)Nc2cc(C)n(CCCOc3ccc(F)cc3)n2)cc([N+](=O)[O-])c1C 480608486 LETMLDXWVLRYKR-UHFFFAOYSA-N 442.447 4.277 5 20 IIBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 481620984 JNJPMYAECVBGIF-BBATYDOGSA-N 442.274 4.441 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H](c1ccccc1OC(F)F)C(F)(F)F 482384748 LEFZSUIJEXTMOM-OAHLLOKOSA-N 433.333 4.342 5 20 IIBD C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C[C@@]2(CCCOC2)O1 482993457 JYTRIRRKFHVMCV-KSFYIVLOSA-N 434.558 4.287 5 20 IIBD Cc1csc(Sc2ccc(C(=O)N3CC[C@@H]4[C@H](CCCN4C)C3)cc2[N+](=O)[O-])n1 483560089 OCAYHLVKJWFMNJ-HZPDHXFCSA-N 432.571 4.067 5 20 IIBD COc1cc(CN2C(=O)[C@H](c3cccs3)N(Cc3ccccc3)C2=O)ccc1[N+](=O)[O-] 484666878 BXXGIEGUHOHTMM-FQEVSTJZSA-N 437.477 4.371 5 20 IIBD C[C@H](Nc1ccc(C(=O)NCCc2cccc(F)c2F)cc1[N+](=O)[O-])c1ccccn1 485577611 KEPYVQZWIZDTIJ-AWEZNQCLSA-N 426.423 4.414 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(c2cc(Cl)ccc2OC)C1 485924612 ZSFSDASAXPINMZ-CQSZACIVSA-N 435.933 4.378 5 20 IIBD COC(=O)c1c(Br)ccc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c1C 486262607 SLMBDRXJIJLQGB-UHFFFAOYSA-N 446.257 4.046 5 20 IIBD CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(S(C)(=O)=O)ccc1F 488423878 ZBFFMJFTODJFQB-UHFFFAOYSA-N 426.491 4.138 5 20 IIBD Cc1ccc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1C(=O)N(C)C(C)C 489579546 GQPIEVAGKGSNTB-UHFFFAOYSA-N 432.908 4.401 5 20 IIBD CCOc1cc2c(cc1OCC)CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC2 489676078 HDNSWGNGJMTJAG-UHFFFAOYSA-N 433.892 4.042 5 20 IIBD Cc1ccc([C@H](C)NC(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)cc1[N+](=O)[O-] 492957776 GXSBGCLLKGLUMO-KXBFYZLASA-N 441.488 4.086 5 20 IIBD O=C(NCCCc1nnc2n1CCCC2)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 497701975 OUXNUQOPLQVSDL-UHFFFAOYSA-N 437.525 4.036 5 20 IIBD O=C(Nc1nnc(Cc2cccc(Cl)c2)s1)c1ccc([N+](=O)[O-])c2cccnc12 498302721 DWRJAGBJDRBXCF-UHFFFAOYSA-N 425.857 4.491 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)F)cc1[N+](=O)[O-] 498963480 PKHPYUOHPQSLIU-LLVKDONJSA-N 441.818 4.016 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccccn2)c2ccc(Br)cc2)cc1 500485190 IAHXPUOFZSMVLJ-UHFFFAOYSA-N 448.298 4.148 5 20 IIBD CCCc1noc2nc(-c3ccco3)cc(C(=O)NCc3ccc(OC)c([N+](=O)[O-])c3)c12 501706519 ZTMPADSMXCLTQK-UHFFFAOYSA-N 436.424 4.282 5 20 IIBD COc1ccccc1SC[C@H](C)CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 505081901 NVOHWPMMAFSOBF-QGZVFWFLSA-N 443.569 4.364 5 20 IIBD O=C(Nc1ccc(OC[C@@H](O)COc2ccccc2Cl)cc1)c1cccc([N+](=O)[O-])c1 506342620 ZNVUIFWALVVXEB-GOSISDBHSA-N 442.855 4.319 5 20 IIBD Cc1ccc(S(=O)(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 507527803 IGCQMSSCXZZEJO-UHFFFAOYSA-N 446.506 4.131 5 20 IIBD COc1ccc2nc(C3CC3)cc(C(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCCO4)c2c1 508155327 VHZTVTKMNMCHFU-UHFFFAOYSA-N 435.436 4.443 5 20 IIBD CSc1ccc(C(=O)c2ccccc2C(=O)NCCC2CCOCC2)cc1[N+](=O)[O-] 510711771 CXLDJQPMWCSOTO-UHFFFAOYSA-N 428.510 4.094 5 20 IIBD COc1cc(CNc2ccc(N3CCNC3=O)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 512919916 LODIASZJJSOUHO-UHFFFAOYSA-N 448.479 4.324 5 20 IIBD CC(C)(CNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1c(Cl)cccc1Cl 513424290 VOGWIMZJBPVTOU-UHFFFAOYSA-N 445.324 4.013 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2C(=O)N[C@](C)(c3ccsc3)C2=O)cc1OC 513645041 GZPXITGZCGFQDE-YEJXKQKISA-N 447.513 4.057 5 20 IIBD O=C(NCCc1cc(F)cc2c1OCOC2)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 515503375 RCZUEVPCBIDTKJ-UHFFFAOYSA-N 437.427 4.317 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(Oc2ccc(C)c(C)c2)nc1 515633328 ACDSKPGYDDDFEO-UHFFFAOYSA-N 429.454 4.208 5 20 IIBD C[C@@H](NC(=O)c1cc2ccccc2c2cccnc12)c1ccc(S(=O)(=O)N(C)C)cc1 515673153 WLVINEBBAYLIAI-MRXNPFEDSA-N 433.533 4.129 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 516381951 XFIGBWDEVVQZLU-BBRMVZONSA-N 449.891 4.254 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 519593339 UBIXREGUFWOSAF-UHFFFAOYSA-N 437.880 4.437 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 520287912 PFCWDODSRSOPQA-UHFFFAOYSA-N 444.875 4.357 5 20 IIBD Cn1c([C@H]2CCCN2C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])nc2ccccc21 522637520 AYPDXHJAMOUNOZ-QGZVFWFLSA-N 428.876 4.268 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2SCC(F)F)cc1[N+](=O)[O-] 522958553 XJQWURWTHFOCGY-UHFFFAOYSA-N 438.861 4.415 5 20 IIBD Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1 524222791 OMHCZBHQGSPCOY-QFIPXVFZSA-N 438.915 4.134 5 20 IIBD Cc1ccc2c(c1)[C@@H](NC(=O)C1CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC1)CO2 531914056 BFPXZAGJQNGXCD-KRWDZBQOSA-N 449.429 4.388 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 533932896 NMVKZPKTCINTLK-UHFFFAOYSA-N 431.239 4.145 5 20 IIBD NC(=O)c1ccc(NCc2ccccc2)c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1 534409336 CGKJXGNNKTYFPV-UHFFFAOYSA-N 430.420 4.304 5 20 IIBD CCC(=O)N1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 535083147 QEEOBHWSGBKTHZ-UHFFFAOYSA-N 436.306 4.062 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1cc2ccccc2o1 536473566 XSFHKKWDBAAHPO-UHFFFAOYSA-N 428.466 4.268 5 20 IIBD CO[C@H](c1ccc(Br)cc1)[C@H](C)Nc1cc2ncnc(O)c2cc1[N+](=O)[O-] 536897219 QFFZQACSAZURIO-BTDLBPIBSA-N 433.262 4.194 5 20 IIBD CC(C)[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc(C(F)(F)F)c1 537059055 LVEIVJZELSANBY-LJQANCHMSA-N 439.390 4.268 5 20 IIBD Cc1c([C@@H](C)NCc2ccccc2CS(=O)(=O)N2CCC(C)CC2)cccc1[N+](=O)[O-] 537950268 OVXQMEYPXXMWEQ-LJQANCHMSA-N 445.585 4.316 5 20 IIBD COCCOc1c(Cl)cc(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc1Cl 538030991 BSBWPKOZYRWYEF-UHFFFAOYSA-N 443.287 4.160 5 20 IIBD C[C@@H](c1nc(-c2cccs2)no1)N1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 541999570 LOXHHLPOSGTRPH-ZDUSSCGKSA-N 433.921 4.239 5 20 IIBD CCc1cnccc1[C@H](C)N[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 543053241 ZZTKBTXYBNEBDL-KBPBESRZSA-N 425.514 4.354 5 20 IIBD CSc1c(F)cc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1F 544067003 LDAWKMBPDHSSOB-UHFFFAOYSA-N 437.453 4.127 5 20 IIBD C[C@@H](C(=O)NCCCc1ccc(Br)cc1F)c1ccc([N+](=O)[O-])cc1F 544447792 RHNAKJCHXHPCTK-LLVKDONJSA-N 427.245 4.488 5 20 IIBD CCOC(=O)c1cc(-c2nc(Cc3ccc(-n4nc(C)cc4C)cc3)no2)cc([N+](=O)[O-])c1 546246797 BWIKFIJYBIJIKL-UHFFFAOYSA-N 447.451 4.215 5 20 IIBD CC[C@@H](c1ccccc1)c1nnc(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)s1 549204569 NGWMDGYGRDJVMT-SFHVURJKSA-N 425.514 4.695 5 20 IIBD CCc1c(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)nnn1Cc1ccc(F)cc1 549324573 KTPQBKLSLKHKJQ-UHFFFAOYSA-N 438.463 4.133 5 20 IIBD CCOc1ccc(Br)cc1-c1noc(Cc2ccc(OC)c([N+](=O)[O-])c2)n1 562202249 NFULUGUCINTVIN-UHFFFAOYSA-N 434.246 4.405 5 20 IIBD CC1(C)CCC[C@H](c2noc([C@@H]3CCCN3S(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)C1 570760166 AKJIFDBLWUJPKX-YOEHRIQHSA-N 434.518 4.187 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCCCC(=O)Nc1ccc(Cl)cc1 573161812 KBQKEKHAOWMRGO-UHFFFAOYSA-N 440.283 4.206 5 20 IIBD O=C(c1ccc(F)cc1)c1cccnc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 580401683 CMYJUDQARPIQRH-UHFFFAOYSA-N 448.454 4.215 5 20 IIBD O=C(N[C@H](c1ccc(Cl)cc1)C(F)(F)F)N1CCOc2ccc([N+](=O)[O-])cc2C1 589337301 ZUIWSCKRZPGBBB-MRXNPFEDSA-N 429.782 4.456 5 20 IIBD COc1cccc([C@@H]2CCCN2c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])c1 590834361 VJWORQLJJPWJOK-FQEVSTJZSA-N 445.541 4.120 5 20 IIBD COCCN(C(=O)COc1ccc(C)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603461439 UPIAWBUHCIJCAL-UHFFFAOYSA-N 427.482 4.085 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 603568947 CXBOLEJHWWCMQU-SFHVURJKSA-N 436.295 4.165 5 20 IIBD Cc1nc(-c2ccc(CCNC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)cc2)cs1 603732930 GLHGDNMIIYKSII-UHFFFAOYSA-N 433.493 4.185 5 20 IIBD CCCCc1c(C)nc2nc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)nn2c1C 603918442 XLENKWROOJXYCJ-UHFFFAOYSA-N 428.518 4.031 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(COc2ccc(Br)cc2)o1 603999772 NOSFOUQQMJUXIT-UHFFFAOYSA-N 431.242 4.459 5 20 IIBD Cc1ccc(C(=O)Nc2cccc(CNC(=O)NCCNc3ccc([N+](=O)[O-])cc3)c2)cc1 604077759 ZYDXZZDIBFMAKW-UHFFFAOYSA-N 447.495 4.067 5 20 IIBD CCCOc1cc(NC(=O)[C@@H]2Cc3ccccc3N2C(C)=O)c([N+](=O)[O-])cc1OCCC 608803195 XBEOLDRXWRGYIT-FQEVSTJZSA-N 441.484 4.089 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H](O)COc3ccc(C(F)(F)F)cc3)o2)cc1 608836748 KCRZDQCLGUUPIH-KRWDZBQOSA-N 436.386 4.403 5 20 IIBD CC(C)c1nnc(CN2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)o1 608869220 WGVOPGPLHOZBEV-UHFFFAOYSA-N 427.530 4.148 5 20 IIBD COc1ccccc1SC[C@@H](C)CNC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609549418 MEZYDCAQVLZEQJ-ZDUSSCGKSA-N 427.482 4.015 5 20 IIBD O=C(CCN1CCCCC1)Nc1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1 609861448 KMZJJSCEFHWRBJ-UHFFFAOYSA-N 430.892 4.315 5 20 IIBD COC(=O)Cc1csc(N(C)C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)n1 611206220 SBOHBYBRQKWYOY-UHFFFAOYSA-N 435.527 4.078 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CCC([C@@H](O)C(F)(F)F)CC1 611213059 XLPWAWXAKXGPTM-QGZVFWFLSA-N 432.464 4.405 5 20 IIBD CCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC 619466346 RMUPNUBGTVKJII-UHFFFAOYSA-N 434.392 4.212 5 20 IIBD O=C(NS(=O)(=O)c1cccc2cnccc12)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 729806014 WQBKANIZIVKQDW-UHFFFAOYSA-N 449.444 4.054 5 20 IIBD COc1ccc(-c2ccc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(F)c2)cc1 730162087 ISOXSJCJITUPNI-UHFFFAOYSA-N 435.455 4.372 5 20 IIBD CC(C)Oc1ccc(NC(=O)c2ccc(I)c([N+](=O)[O-])c2)c(F)c1 730492174 XFBLTCZAXQVGMD-UHFFFAOYSA-N 444.200 4.378 5 20 IIBD CSc1ccc(NC(=O)Cn2cc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cn2)cc1 730558708 PGQUGCQBAPRIEG-UHFFFAOYSA-N 445.888 4.058 5 20 IIBD Cc1c(C(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 731336745 JDACIIVCYVEMDA-UHFFFAOYSA-N 447.810 4.409 5 20 IIBD NC(=O)c1ccccc1N1CC[C@H](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C1 732568991 SIXZWLAIDJKCDV-JTQLQIEISA-N 428.798 4.057 5 20 IIBD CCC(CC)S(=O)(=O)NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 733713357 YPLPTKDPVNNPBM-UHFFFAOYSA-N 426.878 4.289 5 20 IIBD O=C(CCc1nnc(-c2ccsc2)o1)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 735443635 PQQZNXDPWDYVJU-UHFFFAOYSA-N 426.410 4.037 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCCC[C@@H]2c2ccco2)cc1Br 736642173 TZTQZNPWDSFAQJ-OAHLLOKOSA-N 429.292 4.256 5 20 IIBD Cc1ccc(NCCCNC(=O)c2ccccc2NC(=O)c2ccsc2)c([N+](=O)[O-])c1 739814053 LZKRQRJJWVCQOZ-UHFFFAOYSA-N 438.509 4.449 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 741939362 ZDMVUTIYGUAVRI-UHFFFAOYSA-N 433.380 4.130 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 742565986 QZBAWTWHXOAQBG-MGPUTAFESA-N 443.500 4.122 5 20 IIBD CC(C)(C)c1nc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2s1 743264527 XIDZFFIIEQKKFB-UHFFFAOYSA-N 436.471 4.211 5 20 IIBD COc1ccc(OCCOC(=O)c2cccc(NC(=O)c3cccs3)c2)c([N+](=O)[O-])c1 744517990 XIABXLBPYKRASX-UHFFFAOYSA-N 442.449 4.153 5 20 IIBD COc1cc(C(=O)O[C@H](C)c2nc(Cc3ccccc3)no2)c([N+](=O)[O-])cc1OC(F)F 744532422 CBTVGVDMOZLNRK-LLVKDONJSA-N 449.366 4.097 5 20 IIBD Cc1cc(NC(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)sn1 749240459 JPUSJTPDHZLXFB-UHFFFAOYSA-N 443.554 4.438 5 20 IIBD COCCCn1c(SC[C@H](O)c2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1Cl 749639779 RBHVYVLFTSSKNC-SFHVURJKSA-N 448.932 4.369 5 20 IIBD O=C(NCc1cccc(COCC(F)(F)F)c1)c1ccc(Br)c([N+](=O)[O-])c1 749921229 YIBYLOBVDJAUCZ-UHFFFAOYSA-N 447.207 4.366 5 20 IIBD COc1cc(C2(C(=O)OCC3CCN(c4ccc([N+](=O)[O-])cn4)CC3)CCC2)ccc1C 750434691 MOCULNPSRIWELI-UHFFFAOYSA-N 439.512 4.188 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC([C@H](O)c2ccc(F)cc2)CC1 751022358 WSLAUWZTIAOAAV-GOSISDBHSA-N 437.265 4.082 5 20 IIBD CCCC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)C(=O)Nc1cccc(N2CCCC2)c1 751148378 SZQNDNVPRZBKNR-NRFANRHFSA-N 442.491 4.261 5 20 IIBD CCC[C@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)Nc1cccc(N2CCCC2)c1 751244728 SLXQVVALYVPNNK-IBGZPJMESA-N 444.919 4.386 5 20 IIBD CC(C)c1nc2ccc(NC(=O)c3c4c(cc([N+](=O)[O-])c3[N+](=O)[O-])OCCO4)cc2s1 751249266 RCNHBYIGLABKHU-UHFFFAOYSA-N 444.425 4.260 5 20 IIBD COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 751985798 FXBDLPIPJUXGAM-LBPRGKRZSA-N 435.889 4.153 5 20 IIBD COc1ccc(CSCC(=O)N2CCCCC[C@@H]2C[C@@H](O)c2ccco2)cc1[N+](=O)[O-] 752109228 VWVOKRHNJKPSQO-IEBWSBKVSA-N 448.541 4.325 5 20 IIBD COc1ccc2[nH]cc(C3CCN(CCC(=O)Nc4cc([N+](=O)[O-])ccc4F)CC3)c2c1 753916581 ZYTTWPSJTDOPFF-UHFFFAOYSA-N 440.475 4.432 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cccc2c1CCN2C(=O)OC(C)(C)C 753979205 PXSMDCOOKDRRPX-UHFFFAOYSA-N 426.473 4.251 5 20 IIBD C[C@@H](C(=O)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1F 754420382 MNKMXBBLWZFLQS-XCLFUZPHSA-N 425.372 4.473 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCCN(CC2CCCCC2)CC1 754635076 GULXUUHATXLNLU-UHFFFAOYSA-N 442.329 4.225 5 20 IIBD Cc1cc(C)cc(OCc2noc(COC(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)n2)c1 754986578 XLLKGWBMWMFRCF-UHFFFAOYSA-N 435.795 4.323 5 20 IIBD CN(C(=O)CSc1ccc(Br)cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 755911401 SILOVSPKUFEEHJ-UHFFFAOYSA-N 426.248 4.021 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCc2c(ncn2CCc2ccccc2)C1 757703603 IBLMSRQZYKKTKM-UHFFFAOYSA-N 440.887 4.037 5 20 IIBD O=C(CCc1ncc(-c2ccccc2F)o1)O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 759950573 SMDXARLKHOIZTF-DLBZAZTESA-N 428.420 4.245 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cnn(-c2ccccc2)c1Br 760304844 ZVNYWAHSLQQIKF-UHFFFAOYSA-N 443.301 4.296 5 20 IIBD Cc1cc(C(=O)N2CCC(C)CC2)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1F 760345792 ZXJIQJXUBJZNGT-UHFFFAOYSA-N 449.504 4.024 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(SC(=O)N(C)C)cc1 761895846 ZANNGVRWPYKRFE-UHFFFAOYSA-N 429.907 4.131 5 20 IIBD COc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c1 762171596 PKENRKYFHJOLMA-HOYKHHGWSA-N 434.492 4.469 5 20 IIBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Oc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 767595125 FIFOSTVJHVUKMM-CQSZACIVSA-N 436.486 4.257 5 20 IIBD COc1ccc(NC(=O)CCN2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)c([N+](=O)[O-])c1 767873110 AEAPZMDGCITAIW-OAHLLOKOSA-N 437.418 4.440 5 20 IIBD CC[C@@H](C)S(=O)(=O)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 768024799 DMWANBOXWIDGQH-LLVKDONJSA-N 428.919 4.258 5 20 IIBD O=C(COC(=O)c1cc(Br)ncc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1 769832663 MTBFCNHDVJMNFJ-UHFFFAOYSA-N 441.237 4.459 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 772328864 UUFRDQNPCZMJTQ-SJORKVTESA-N 446.548 4.103 5 20 IIBD C[C@@H](Oc1cccc2ccccc12)C(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 774073091 RUBVNUCKYUZDFZ-QGZVFWFLSA-N 435.480 4.370 5 20 IIBD O=[N+]([O-])c1cccc(-c2cnn(CN3CCC(c4nc(-c5ccccc5)no4)CC3)c2)c1 777955926 CHNJGHCDDHOLPY-UHFFFAOYSA-N 430.468 4.345 5 20 IIBD O=[N+]([O-])c1ccc(I)c(OCc2csc(-c3ccoc3)n2)c1 780354299 OSPJVCRCMWKOAD-UHFFFAOYSA-N 428.207 4.495 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 781437771 TXOYQLAEFMNHFD-UHFFFAOYSA-N 440.349 4.275 5 20 IIBD Cc1nc(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)oc1-c1ccc(Cl)cc1 783344269 IHUHVKABIGEHHX-UHFFFAOYSA-N 449.250 4.120 5 20 IIBD C[C@H](OC(=O)c1ccnc(Cl)c1I)c1ccccc1[N+](=O)[O-] 786892185 XHHBBPGOCWXEIO-QMMMGPOBSA-N 432.601 4.166 5 20 IIBD CCC(=O)c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])c(Br)cc2C)c(F)c1 790034120 FTWCVLLARDGSGD-UHFFFAOYSA-N 446.250 4.165 5 20 IIBD CN(CC(=O)Nc1ccc(F)cc1OC(F)F)c1cc(Br)ccc1[N+](=O)[O-] 796704164 XOAHETPFPHSEQX-UHFFFAOYSA-N 448.195 4.173 5 20 IIBD C[C@H](C(=O)O[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1)[C@@H]1OCCc2sccc21 797146255 GNBRRWKJYLFPSO-AGKSTNPPSA-N 434.489 4.258 5 20 IIBD O=C(COC(=O)c1ncccc1Oc1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] 799563131 OJJHDYFLVAICHM-UHFFFAOYSA-N 427.800 4.231 5 20 IIBD O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N(CCO)Cc1cccnc1Cl 799732733 LCEJSYDLYOTDSS-UHFFFAOYSA-N 443.912 4.429 5 20 IIBD O=[N+]([O-])c1ccccc1-c1ccc(CNCCS(=O)(=O)CCc2ccccc2)s1 800311630 QOOSEMXOURVRLB-UHFFFAOYSA-N 430.551 4.070 5 20 IIBD Cc1c(C(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 801043046 AKNRZNGZUXMGQN-FQEVSTJZSA-N 440.500 4.150 5 20 IIBD CCOc1ccc(C(=O)N2CCCC[C@H]2COC(=O)NC2CCCCC2)cc1[N+](=O)[O-] 809271203 YKVJQENCXVNJQU-SFHVURJKSA-N 433.505 4.047 5 20 IIBD COc1ccc(NCc2ccc([N+](=O)[O-])c(Cl)c2)cc1S(=O)(=O)N1CCCCC1 809679141 BOFYQKVAFDCBFH-UHFFFAOYSA-N 439.921 4.044 5 20 IIBD O=C(NC1CCCC1)OC[C@H]1CCCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 810035077 IHOQOHWELMBCSZ-HXUWFJFHSA-N 428.489 4.273 5 20 IIBD CC(C)CC[C@H](NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C(C)(C)C 810365982 ZPFUYHWNNFEBFM-HNNXBMFYSA-N 428.327 4.263 5 20 IIBD C[C@@H](OC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1 811289736 VUWCEAIJOCWBKT-GFCCVEGCSA-N 449.485 4.212 5 20 IIBD COCCn1c(C)cc(C(=O)COC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1C 811375440 ZHIHCUWLEJQPOI-UHFFFAOYSA-N 429.256 4.006 5 20 IIBD CN(Cc1ccccc1)C(=O)N1CCC(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 813244034 KPAIJIGSMKJPRW-UHFFFAOYSA-N 430.892 4.151 5 20 IIBD CNc1ccc(C(=O)N2CCC[C@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1[N+](=O)[O-] 814428785 OCLBSUULAMTPJL-ZWKOTPCHSA-N 446.548 4.136 5 20 IIBD CC(=O)N(c1ccc(Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])cc1)[C@@H]1C[C@@H]1C 814944050 JPUCMGYVOXVROQ-VBKZILBWSA-N 433.468 4.064 5 20 IIBD Cc1ccc([C@](O)(CC(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)C(F)(F)F)o1 815185892 ODDPCBVEELNETC-OAHLLOKOSA-N 441.280 4.398 5 20 IIBD C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1cc(F)c([N+](=O)[O-])cc1F 816819455 FJSIVFHZJDPCFW-BMLIUANNSA-N 430.329 4.494 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C2)C1 817642628 XVHUVJCQWZAMSC-CVEARBPZSA-N 435.496 4.233 5 20 IIBD C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(Cc2cccc3cccnc23)CC1 897350997 SOVLQYWHSRPWPP-KRWDZBQOSA-N 444.495 4.072 5 20 IIBD O=C(Nc1ccc(=O)n(Cc2ccccc2)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 916461287 OLMAPYUTYVVUEW-UHFFFAOYSA-N 432.480 4.047 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2ccc(Cl)nc2)c([N+](=O)[O-])c1 917089100 BELCZTHEMFNSEN-UHFFFAOYSA-N 446.916 4.471 5 20 IIBD CN(C(=O)c1ccccc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CCCCC1 917802341 KDAZVRMDNDARFU-UHFFFAOYSA-N 447.495 4.438 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cccc(C)c1NC(=O)c1ccccc1F 918372910 QDBSBYXOGWNCGW-UHFFFAOYSA-N 437.427 4.233 5 20 IIBD CCC/C(C)=C\C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 920214675 MPERNOJSENDNTC-HPKHQCCISA-N 437.905 4.147 5 20 IIBD O=C(COC(=O)c1csc(Cc2ccc(Cl)cc2)n1)Nc1cccc([N+](=O)[O-])c1 1115977407 GDJNDYYVLGZXMV-UHFFFAOYSA-N 431.857 4.091 5 20 IIBD Cc1ccc(C(=O)OCC(=O)N(CC(F)(F)F)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 1248474705 MJGUFYAOXSOLDK-UHFFFAOYSA-N 430.766 4.309 5 20 IIBD COc1cc(/C=C(/C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c2ccccc2)ccc1O 1321349824 LRKLLSIAJZAWQX-LPYMAVHISA-N 430.460 4.435 5 20 IIBD C[C@H](OC1CCCCC1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 1321830080 GNTPKTUCMMWQJR-AWEZNQCLSA-N 429.439 4.000 5 20 IIBD O=C(Nc1cc(F)c(I)c(F)c1)N1Cc2ccc([N+](=O)[O-])cc2C1 1339576177 VFGZUCBELWROCC-UHFFFAOYSA-N 445.163 4.025 5 20 IIBD CC1(C(=O)NC2(c3ccc(NC(=O)Cc4cc([N+](=O)[O-])ccc4F)cc3)CCC2)CC1 1786672913 RBMMBQLWGKQVTP-UHFFFAOYSA-N 425.460 4.211 5 20 IIBD Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1Cl 1800520140 AYIVFMLQNCSTQB-BCDXTJNWSA-N 445.878 4.261 5 20 IIBD CCCCC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)[nH]n1 1822008086 MFEWZDAMVCOHCS-RHSMWYFYSA-N 430.509 4.168 5 20 IIBD CCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2cc(F)ccc2[N+](=O)[O-])n[nH]1 1823487743 KCSBJPRHPPXAJU-SFHVURJKSA-N 445.495 4.128 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCC([C@H]2CCCCN2C(=O)c2cccs2)CC1 1825774754 CKAPYSXKNOISDB-JHTBKMLMSA-N 443.525 4.196 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC(C)C)CC1 1830728668 BFYFOJUWFIREOJ-FQEVSTJZSA-N 433.524 4.322 5 20 IIBD C[C@H]1CCC[C@@H]1C(=O)N1CC2(CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 1845739055 HHYIKMITVQNGNB-YOEHRIQHSA-N 427.526 4.063 5 20 IIBD COc1ccc(C(=O)O[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 11342094 BOFNYYAEBVGNEZ-MRXNPFEDSA-N 434.448 4.055 5 20 IIBD C[C@@H](OC(=O)c1cc(Cl)c(Cl)[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 11809742 IEDWMSIFVIXJQA-ZCFIWIBFSA-N 440.161 4.433 5 20 IIBD C[C@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)NCCc1ccc(F)cc1 22253910 OAOJSBOESNSZJN-HNNXBMFYSA-N 435.524 4.065 5 20 IIBD CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Cl 22495190 QGFLVDBKBUWJHT-LLVKDONJSA-N 430.800 4.381 5 20 IIBD COc1ccccc1[C@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N(C)C 23694256 FWOUDUVXNTYVKB-QHCPKHFHSA-N 448.523 4.248 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCSc1nnc(Nc2cccc(F)c2)s1 26409491 ZXRWNSWDZUTVLN-UHFFFAOYSA-N 449.489 4.459 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)N2CCc3sccc3C2)cc1[N+](=O)[O-] 26709052 LOYLHJPCIRTDAG-UHFFFAOYSA-N 435.505 4.152 5 20 IIBD O=C(COC(=O)c1ccccc1[N+](=O)[O-])Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 28263360 QNEWMXRUKREMRP-UHFFFAOYSA-N 436.264 4.428 5 20 IIBD COc1ccc(C(NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccc(OC)cc2)cc1 29645118 DOVXDWLIJKOFGM-UHFFFAOYSA-N 435.480 4.238 5 20 IIBD O=C(Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1Cl 69526257 KFBAZOGNEVLMFN-UHFFFAOYSA-N 449.847 4.440 5 20 IIBD Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 116303737 NFBJCXCLHPXPOQ-UHFFFAOYSA-N 449.496 4.243 5 20 IIBD Cc1ccc(-c2csc(NC(=O)C3=NN(c4ccccc4)C(=O)CC3)n2)cc1[N+](=O)[O-] 140457401 VTTJTKMSRAKQNW-UHFFFAOYSA-N 435.465 4.148 5 20 IIBD C[C@@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1cc2ccccc2s1 301215696 ZWOBDYBRUYCICC-CQSZACIVSA-N 447.538 4.004 5 20 IIBD CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(=O)Nc1c(Cl)cccc1Cl 302908027 FUCVOIGEYMNDIK-UHFFFAOYSA-N 439.299 4.109 5 20 IIBD CCc1[nH]nc(C(=O)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)c1[N+](=O)[O-] 426935486 CGTLRSPZRFIHIP-UHFFFAOYSA-N 426.273 4.093 5 20 IIBD Cn1ccnc1C[C@@H]1CCCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 427055016 RAOKMIPWCNNLCY-IBGZPJMESA-N 434.496 4.002 5 20 IIBD Cn1ccnc1[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 432208732 SUQOTYUDQSDGAS-INIZCTEOSA-N 449.692 4.264 5 20 IIBD O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 434969340 QSOAHMGJGBACFH-ZDUSSCGKSA-N 428.436 4.202 5 20 IIBD COc1cc(NC(C)=O)ccc1NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 435445209 DGDYPFUPKOSYBE-AWEZNQCLSA-N 426.473 4.050 5 20 IIBD Cn1ccnc1[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1cccc(F)c1 435950992 UULPCUREHRFKJF-JOCHJYFZSA-N 426.451 4.073 5 20 IIBD Cc1ccc(-c2ncccc2NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)s1 437046319 MXNUTAHUJCOBDG-UHFFFAOYSA-N 436.493 4.156 5 20 IIBD CC(C)c1nnc2ccc(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)cn12 438503138 XQJICSBJKWVBJV-UHFFFAOYSA-N 433.418 4.378 5 20 IIBD CCOCc1ccc(NC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 438849734 KIHAHZDZCSHTBT-UHFFFAOYSA-N 426.395 4.384 5 20 IIBD O=C(NCc1cccc(N2CCC2=O)c1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 441568264 UPYROSQXEBZQGU-UHFFFAOYSA-N 433.489 4.413 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])c1cccc(OC(F)(F)F)c1 441789313 QKGGMLLXSZDRKW-CYBMUJFWSA-N 439.390 4.139 5 20 IIBD O=C(NCc1cc(Br)cc2c1OCC2)c1cccc2c(=O)c3ccccc3[nH]c12 445219258 XTCDZOPLHPPWGU-UHFFFAOYSA-N 449.304 4.309 5 20 IIBD CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)CCc1cccc([N+](=O)[O-])c1 445512311 BLDYNPWMOIWRQK-UHFFFAOYSA-N 443.809 4.297 5 20 IIBD COCCN(C(=O)c1noc2c1CCCCC2)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 445563369 BRVNWKGXYGQBQP-UHFFFAOYSA-N 442.497 4.268 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(Cc3cccc(OCCCOc4ccccc4)c3)n2)n1C 445608265 BJWCGMBVHJUFRE-UHFFFAOYSA-N 449.467 4.125 5 20 IIBD O=C(Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])[C@H]1CCCN(CC(F)(F)F)C1 446435868 GVVHYMJLSCVFPY-INIZCTEOSA-N 437.418 4.387 5 20 IIBD COC(=O)c1cc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c(F)cc1F 447311217 AEHPQGZTTUQVKK-UHFFFAOYSA-N 442.374 4.491 5 20 IIBD COc1ccc(C(=O)N(C)C)cc1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 447394832 MRDNDNMNRGCNNF-UHFFFAOYSA-N 449.463 4.137 5 20 IIBD O=C(C1=Cc2cc(Br)ccc2OC1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 460353076 XPIDHVSKPXJNDI-IBGZPJMESA-N 447.310 4.407 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 462403343 QYPJRRYXQWZHTQ-XXBNENTESA-N 425.529 4.125 5 20 IIBD C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])cc1Cl 463262126 ADMPWYGWXUOHCY-OAHLLOKOSA-N 444.919 4.338 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 464032958 FCKHTPJTOSLCJX-UHFFFAOYSA-N 439.418 4.334 5 20 IIBD C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)Oc1cccc(Br)c1 464683569 XDUPYQPPLUPXTG-LLVKDONJSA-N 427.682 4.137 5 20 IIBD O=C(c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2)N1CC[C@@H](O)C1 472391153 WINSFIFJDQOFGH-DQSGYLJSSA-N 429.476 4.227 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl 475552146 HUOIAEFXEJOFNI-LBPRGKRZSA-N 428.272 4.080 5 20 IIBD Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3O)C2)c1 476135694 DWYRDCSUMWNRNL-CYBMUJFWSA-N 432.864 4.145 5 20 IIBD CCOC(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CC1 478915282 VOJVDHJGYIDCEB-UHFFFAOYSA-N 445.903 4.276 5 20 IIBD COc1ccc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1OCc1ccncc1 479634739 ALBBWJQGZMIWDP-UHFFFAOYSA-N 445.435 4.015 5 20 IIBD Cc1sc2ncnc(N3CCC(C(=O)NCc4cccc([N+](=O)[O-])c4C)CC3)c2c1C 481495922 VWEMOSCPJCEOSX-UHFFFAOYSA-N 439.541 4.058 5 20 IIBD O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O)c1ccccc1[N+](=O)[O-] 481805403 IPUZLVJHLAJGHT-UHFFFAOYSA-N 447.856 4.007 5 20 IIBD CCCCn1ncc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1C(C)C 482743817 LNVQOZGMGIEYMM-FQEVSTJZSA-N 441.532 4.267 5 20 IIBD CCOc1cc(N2CCN(Cc3nnc(-c4ccccc4Cl)o3)CC2)ccc1[N+](=O)[O-] 482868670 AEJKRVTWVVKGLF-UHFFFAOYSA-N 443.891 4.019 5 20 IIBD COc1ccc(-c2noc([C@H](C)S(=O)(=O)[C@@H](C)c3cc([N+](=O)[O-])ccc3C)n2)cc1 485245320 MLNNYXAZDSHFFY-KBPBESRZSA-N 431.470 4.199 5 20 IIBD O=C(COc1c([N+](=O)[O-])cnc2ccc(Br)cc12)c1c[nH]c2ncccc12 485345862 DAKJZTPVAIQJPI-UHFFFAOYSA-N 427.214 4.044 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 485535479 YDOCDHSVAQUVER-HNNXBMFYSA-N 426.448 4.085 5 20 IIBD COC(=O)c1cc(NC(=O)N2CCC[C@H]2c2cccc(N(C)C)c2)c(C)c([N+](=O)[O-])c1 486872091 IJKRXZSRNUNRAH-IBGZPJMESA-N 426.473 4.125 5 20 IIBD CN(Cc1ccc(Br)s1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 488014660 NZZNKWFGTQDRLX-UHFFFAOYSA-N 432.727 4.456 5 20 IIBD Cc1ccc(NCCCNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)c([N+](=O)[O-])c1 489612720 SHVOZIKEMAYINV-UHFFFAOYSA-N 439.560 4.011 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 490794992 DVBLAJCAARUVGV-KGLIPLIRSA-N 449.891 4.111 5 20 IIBD COc1cc(CNC2CCN(Cc3ccccc3C)CC2)c([N+](=O)[O-])cc1OCC(F)F 491035916 KPRPWWWCJJOOGY-UHFFFAOYSA-N 449.498 4.310 5 20 IIBD Cc1ccc([C@H](C)NC(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] 493001591 FNQGQQQZZPLMDS-GXTWGEPZSA-N 442.299 4.010 5 20 IIBD Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1[N+](=O)[O-] 493084972 ZLABKKFMXOYHHC-GOEBONIOSA-N 445.907 4.073 5 20 IIBD C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] 498809089 XQCIPQHIZYSUMP-INIZCTEOSA-N 438.505 4.427 5 20 IIBD O=C(NCCc1ccc(Oc2ccc(F)cc2)cc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 501320744 AXXFKGDDEPQYFI-UHFFFAOYSA-N 447.426 4.079 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(CC(=O)N2CCc3ccccc32)cc1 501687290 JRPDBMVTAWVVGL-UHFFFAOYSA-N 444.491 4.167 5 20 IIBD CCOC[C@H]1CCCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 504140093 IGIJAGKIOTWEFA-HNNXBMFYSA-N 443.466 4.105 5 20 IIBD CCC[C@@H](NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)c1nnc2ccccn12 504758179 YOQCRIYDUASRHM-SJLPKXTDSA-N 436.516 4.145 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 504813214 KZCFIGYBYDSQRJ-UHFFFAOYSA-N 426.476 4.366 5 20 IIBD CSc1ccc(C(=O)Nc2ccc(NC(=O)CCN3CCCCC3)cc2)cc1[N+](=O)[O-] 505743689 LFECQGLVDYGOLO-UHFFFAOYSA-N 442.541 4.384 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(OC2CCCC2)c(Cl)c1 508254912 AKTMEYPYNLKMKM-UHFFFAOYSA-N 431.876 4.328 5 20 IIBD O=[N+]([O-])c1cc(F)c(CN2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn34)C2)c(F)c1 509346899 YPYBIVVYCRCQIP-LLVKDONJSA-N 441.360 4.314 5 20 IIBD CCn1cnnc1-c1cccc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1 509630493 ABVLHKMMYGQNFW-UHFFFAOYSA-N 430.262 4.196 5 20 IIBD COc1ccc(CCNC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc1OC 512503059 FRLUVAJGRKLHLH-IRXDYDNUSA-N 441.528 4.067 5 20 IIBD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCc3ccccc3Cn3ccnc3)cc2[N+](=O)[O-])C1 513838767 XOGYLQTZNOFGJK-OALUTQOASA-N 447.539 4.252 5 20 IIBD C[C@H]1CN(C(=O)c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2)C[C@@H](C)O1 515727155 FLNAIDZSYHIOOR-OKILXGFUSA-N 439.493 4.311 5 20 IIBD O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCO[C@@H](c2ccc(Br)cc2)C1 516758073 PHAGQEUAKZSOFG-LJQANCHMSA-N 446.301 4.145 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)cc1SC 517651344 HWWOGCSMKYITRS-UHFFFAOYSA-N 436.902 4.171 5 20 IIBD O=C(Nc1ccc(OCc2ccncc2)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 517844948 ZMUVYXLFJWBOEE-UHFFFAOYSA-N 432.480 4.424 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)cc1OC 525730893 AJRRXSIUESDPNT-UHFFFAOYSA-N 430.848 4.153 5 20 IIBD O=C(Nc1cc(Cl)ccc1O)C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 533159818 YSLUMKRVBYZAPC-UHFFFAOYSA-N 443.843 4.191 5 20 IIBD COc1ccc(C2=NN(C(=O)COc3cccc(C)c3[N+](=O)[O-])[C@H](c3ccco3)C2)cc1 534387406 OVLWNCBDWZBCAE-IBGZPJMESA-N 435.436 4.262 5 20 IIBD Cc1ccc(NC(=O)N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)CC2)cc1 538252953 ZTHKHZGSRFLYJJ-UHFFFAOYSA-N 442.541 4.394 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN3CCC(Cn4ccnn4)CC3)o2)c(Br)c1 538802721 PGPJFNNTCKWDCN-UHFFFAOYSA-N 446.305 4.121 5 20 IIBD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1cc(F)c(F)cc1Br 540039287 BBLFEGURESNYGZ-UHFFFAOYSA-N 427.610 4.090 5 20 IIBD CCOc1ccc([C@@H](C)NC(=O)COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC 542223806 RKVWTGKWEUYZOX-GFCCVEGCSA-N 442.390 4.277 5 20 IIBD Nc1ccc(-c2noc(CCCc3nc(-c4ccc(Cl)cc4)no3)n2)cc1[N+](=O)[O-] 545552478 AOHFGJXDNIECOS-UHFFFAOYSA-N 426.820 4.106 5 20 IIBD Cc1nn(-c2ccc(F)cc2)c2sc(-c3nc(Cc4ccc([N+](=O)[O-])cn4)no3)cc12 547199716 HQZHVFIRLYDJDK-UHFFFAOYSA-N 436.428 4.479 5 20 IIBD Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N(C)CCc3ccccc3[N+](=O)[O-])c12 553063654 IAJWSESFVHUIGM-UHFFFAOYSA-N 429.480 4.167 5 20 IIBD COc1ccc(Cn2cc(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)cn2)cc1 556591231 HZKASXHOMGAISP-UHFFFAOYSA-N 435.465 4.224 5 20 IIBD CN(CCCCCc1cc(-c2cccc(F)c2)no1)c1cccc(C(N)=O)c1[N+](=O)[O-] 557541633 ULFCOXYKTWIZRH-UHFFFAOYSA-N 426.448 4.337 5 20 IIBD COc1cc(C(=O)NCc2snnc2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 557836769 BYEDUAQLWNXCGA-UHFFFAOYSA-N 434.861 4.139 5 20 IIBD C[C@H](C(=O)N(C)CC(=O)NC(c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 557865840 TZWHFSYSSUZXBT-SFHVURJKSA-N 431.492 4.063 5 20 IIBD O=C(N[C@@H]1CCSc2ccc(Cl)cc21)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 560845986 CPPMJIJKMIGWIC-GOSISDBHSA-N 445.928 4.093 5 20 IIBD O=C(c1cc(Cl)ccc1Cl)N1CCC[C@H]1c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 561906824 VKGQIHILCHIOAO-INIZCTEOSA-N 448.266 4.248 5 20 IIBD COc1ccccc1-c1csc([C@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3O)C2)n1 562578753 JVMRULWYCYVIHU-AWEZNQCLSA-N 439.493 4.452 5 20 IIBD C[C@H](C(=O)Nc1ccc(-c2ccc(Br)s2)nn1)c1cccc([N+](=O)[O-])c1 571495473 TYHRCSFOKVPXBO-JTQLQIEISA-N 433.287 4.618 5 20 IIBD Cc1nnc(Sc2ccc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)c(C)c2)s1 576971542 FPOKDMWWQXMPKX-UHFFFAOYSA-N 430.467 4.195 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(COc2cccc(F)c2)c1 582517692 WPXMRQTUIDDSAE-UHFFFAOYSA-N 437.427 4.453 5 20 IIBD COc1cc(-c2nc(C3(c4ccc(C)cc4)CCOCC3)no2)cc([N+](=O)[O-])c1OC 584748967 XKTUYWVAAJOVEQ-UHFFFAOYSA-N 425.441 4.067 5 20 IIBD COc1cccc([C@H](C)c2noc([C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)c1 589112715 UVUMOFICQIWKKR-YWZLYKJASA-N 436.468 4.424 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@H](CO)Cc3ccccc32)cc1 590408249 SNOKLMQZLIGEQT-MRXNPFEDSA-N 434.448 4.207 5 20 IIBD Cn1c(=O)c(CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cc2ccccc21 590448063 UWMQRCPQNKUOKK-UHFFFAOYSA-N 437.521 4.411 5 20 IIBD COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C(=O)N2[C@@H](C)CCC[C@H]2C)cc1OC 603596424 FMLQRRNFZQRBKD-GASCZTMLSA-N 441.484 4.267 5 20 IIBD C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1=O 603818784 UDMOWNUSBDPFDU-YOEHRIQHSA-N 436.493 4.267 5 20 IIBD O=c1c2ccccc2nc(SCCCOc2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCO1 603948147 YHMVKHNNYDTUDF-SFHVURJKSA-N 441.509 4.045 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(NC(=O)c2ccccc2)c1C 603983109 KQVKYHFBTQXQOF-UHFFFAOYSA-N 425.466 4.265 5 20 IIBD COc1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)cc2c1OCCO2 603997060 PQKAQPLEQCBTBI-UHFFFAOYSA-N 427.438 4.059 5 20 IIBD O=C(NCc1ccc(Oc2cccc(F)c2)nc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 604535819 COWATLQTYICGSY-UHFFFAOYSA-N 433.399 4.037 5 20 IIBD Cc1nnc(Sc2ccc(NC(=O)CCn3nc(C)c([N+](=O)[O-])c3C)c(C)c2)s1 608807378 BUFKSBFRIQLQHT-UHFFFAOYSA-N 432.531 4.056 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H]2c2cccc(Br)c2)cc1OC 608809320 BOMCVUKGPLBJCG-ZFWWWQNUSA-N 435.274 4.051 5 20 IIBD CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 608878803 JQTBPSHHGRTHNN-CQSZACIVSA-N 437.418 4.169 5 20 IIBD O=C1CCc2cc([N+](=O)[O-])c(N[C@@H]3CCCN(Cc4ccc(F)cc4Cl)C3)cc2N1 609513106 WLXACPACWGMWPI-MRXNPFEDSA-N 432.883 4.349 5 20 IIBD Cc1cc(C(=O)Nc2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)ccc1[N+](=O)[O-] 609789346 PCKJBXWLJRYUEZ-UHFFFAOYSA-N 431.514 4.109 5 20 IIBD COC(=O)C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccc(OC(F)(F)F)cc1 609856246 UFMMVPJZGHPHGD-HNNXBMFYSA-N 446.765 4.181 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(-n3cc(C)cn3)c(F)c2)cc1[N+](=O)[O-] 609864379 CBPZUUGPBYBTHW-UHFFFAOYSA-N 430.461 4.109 5 20 IIBD CCc1nc([C@@H]2CCCCN2C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)no1 609975207 KJPZADABLABWIU-MDZRGWNJSA-N 441.532 4.390 5 20 IIBD CC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(F)cc1F 609977123 JGHHMZSHOXNKNQ-QUCCMNQESA-N 431.439 4.054 5 20 IIBD O=C(CN1CCc2c(F)cc(Br)cc2C1)Nc1ccc([N+](=O)[O-])cc1Cl 610729117 NWNYKFFWOWKALB-UHFFFAOYSA-N 442.672 4.147 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C(F)(F)F 610927155 BKYWCUXYBWZMQD-FQEVSTJZSA-N 432.402 4.360 5 20 IIBD CC(C)(CO)CNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 610927418 NFPFJGQRJKNGPP-LFIBNONCSA-N 425.510 4.270 5 20 IIBD Cc1cc(NC(=O)[C@H](NC(=O)c2ccccc2Br)C(C)C)ccc1[N+](=O)[O-] 611475431 NIKQZLSBRIMGPA-QGZVFWFLSA-N 434.290 4.059 5 20 IIBD CO[C@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 611975834 FNUJXLFSSUBACT-INIZCTEOSA-N 428.510 4.189 5 20 IIBD O=C(N[C@@H](CC(F)(F)F)c1ccc(Br)cc1)c1cc(O)cc([N+](=O)[O-])c1 612646507 KJHFYVGTMZHJTK-AWEZNQCLSA-N 433.180 4.486 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(Oc2cc(F)c(Cl)cc2Br)s1 619504681 UOXKWIIYPNMFKB-UHFFFAOYSA-N 430.660 4.407 5 20 IIBD Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)N2CCCC2)o1 725744482 OVQKEJDLCILTPZ-NRFANRHFSA-N 426.517 4.053 5 20 IIBD COc1cc(C(=O)OCc2csc(N(C(C)=O)c3ccc(F)cc3)n2)ccc1[N+](=O)[O-] 725944650 DTZVSOKZEOEAKQ-UHFFFAOYSA-N 445.428 4.241 5 20 IIBD CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])cc2)cc1 726518147 HNOBSRUCZFRPJZ-UHFFFAOYSA-N 430.413 4.182 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2cc(F)c(F)cc2N)c2ccccc2)c([N+](=O)[O-])c1 727189316 DLQIUHLTOIGACZ-HXUWFJFHSA-N 441.390 4.300 5 20 IIBD C[C@H](OC(=O)c1cc(F)c(Cl)nc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 727521602 OWPLPSHEFCJDNI-LURJTMIESA-N 436.610 4.273 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2ccc(SC)cc2)cc1SC 728658284 UEDMSNWZSUZFQF-LLVKDONJSA-N 436.511 4.231 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1occc1CN1c2ccccc2C[C@H]1C 728687671 KRRNATSSZCKANX-MRXNPFEDSA-N 449.463 4.243 5 20 IIBD CC[C@H](C)[C@@H](C)N(C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C1CC1 729442822 VTPUPZWZYHHHMY-JKSUJKDBSA-N 446.525 4.402 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCO[C@@H](c2ccccc2Br)C1 732578767 QJPVCYMNFPLPKY-MRXNPFEDSA-N 425.666 4.224 5 20 IIBD CC1CCC(N(C(=O)COC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C2CC2)CC1 733474481 NVALYUBLTPKKNM-UHFFFAOYSA-N 443.525 4.445 5 20 IIBD COC[C@@H](C)NC(=S)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 735423392 WQJBQQRNFFHOBD-LLVKDONJSA-N 427.885 4.179 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 735790984 HEWRUHDHZISQEL-UHFFFAOYSA-N 430.265 4.122 5 20 IIBD CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 735901860 VFRORFGYWZENJM-IBGZPJMESA-N 443.887 4.156 5 20 IIBD O=C(/C(=C\c1ccc(F)cc1)c1cccs1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 736173940 LQCVRDWDYKIIED-LSPINASFSA-N 438.484 4.444 5 20 IIBD O=C(OCc1ccnc(Cl)c1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 736864984 XBKQZJRIROSZIX-UHFFFAOYSA-N 427.631 4.493 5 20 IIBD Cc1cc(Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])ccc1OC1CCOCC1 737434850 QPBXEAFPPSMFNZ-UHFFFAOYSA-N 442.440 4.201 5 20 IIBD CNC(=O)c1cccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2OCc2ccccc2)c1 741889285 SGOSRIHHFSXGQW-UHFFFAOYSA-N 439.855 4.439 5 20 IIBD Cc1cccc(CN(C)C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 742177744 BBUKNKHIRGVVJS-UHFFFAOYSA-N 438.871 4.476 5 20 IIBD Cc1c(C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 742846898 NKUBYDNIHDCYHZ-UHFFFAOYSA-N 447.860 4.468 5 20 IIBD O=C(Nc1cc(C2CCCCC2)[nH]n1)c1cc([N+](=O)[O-])ccc1I 743454153 GNBBLPDVDOVZJI-UHFFFAOYSA-N 440.241 4.223 5 20 IIBD C[C@H]([C@H](OC(=O)CC1CCC1)c1ccccc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 744351067 JBWWMIYDGVFSOV-ZHRRBRCNSA-N 446.525 4.079 5 20 IIBD CC(C)CO[C@H](C)c1noc(COC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)n1 744462967 UONKCBREMCCFNS-MRXNPFEDSA-N 446.504 4.305 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)[C@@](C)(O)Cc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 745145146 IDPKSMPSKHZNRE-RDGATRHJSA-N 448.475 4.120 5 20 IIBD O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 745746257 OKWTZTSNHRBPLY-OAHLLOKOSA-N 438.223 4.119 5 20 IIBD Cc1c(C(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 746558341 JCGKBYZMPKGCPY-UHFFFAOYSA-N 427.348 4.130 5 20 IIBD C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1nc2ccccc2s1 746668388 HXWCAJNZNFRSJO-SECBINFHSA-N 431.417 4.263 5 20 IIBD Cc1c(C(=O)N[C@@H](c2ccccc2)c2nc3ccccc3n2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] 746779995 OKGDJQSOEWXOEG-NRFANRHFSA-N 445.435 4.218 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)c1csc(C2CC2)n1)c1cccc([N+](=O)[O-])c1 747416565 WZNKMMSMTWNTAX-MRXNPFEDSA-N 429.498 4.171 5 20 IIBD O=C1NCCN1c1ccc(Cl)c(C(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)c1 747824417 WJQYARQDNCOUGM-UHFFFAOYSA-N 449.294 4.488 5 20 IIBD O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1C[C@H]1c1ccc(Br)cc1 748908978 FHNFJRQAAGQHJF-IRXDYDNUSA-N 434.242 4.071 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N1CC[C@H]([C@H]2CCOC2)C1 750260750 HBOPMEGLJUDSPE-FIKGOQFSSA-N 429.904 4.286 5 20 IIBD Cc1cc(C(=O)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)c(C)n1Cc1ccc(F)cc1 750824780 UQBJXDXAZGUODG-UHFFFAOYSA-N 433.443 4.342 5 20 IIBD O=C(N[C@H]1COc2cc(F)cc(F)c21)c1cc(Br)cc([N+](=O)[O-])c1Cl 753303687 IKWORTQYMONXLP-JTQLQIEISA-N 433.592 4.152 5 20 IIBD CC(C)[C@H](CCN(C)C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)NC(=O)OC(C)(C)C 754418531 ZZPBDYKIFVADTR-KDOFPFPSSA-N 425.501 4.235 5 20 IIBD CC(C)n1c(S)nnc1CNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 754442548 SCCMNLJVCOJTNS-UHFFFAOYSA-N 428.474 4.170 5 20 IIBD O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cc(F)cc([N+](=O)[O-])c1Br 756428609 AKEZUPXKWUKNOB-BBRMVZONSA-N 441.228 4.286 5 20 IIBD COc1ccc(Oc2cc(CNC(=O)NCc3cc([N+](=O)[O-])ccc3Cl)ccn2)cc1 757128786 DZLXITHUKQJGHZ-UHFFFAOYSA-N 442.859 4.444 5 20 IIBD Cc1cc(Cl)c(S(=O)(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] 758620205 PVNCATJKCHRVKB-CRAIPNDOSA-N 442.896 4.237 5 20 IIBD C[C@@H](OC(=O)CCc1cccc(OC(C)(C)C)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 759010739 LJRFGLPVENGTBP-CYBMUJFWSA-N 449.891 4.324 5 20 IIBD CC(C)(C)OC(=O)N[C@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 759990706 BEVXDHVYQCHJRX-SFHVURJKSA-N 433.892 4.173 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2Cc2nc(CC3CCOCC3)no2)cc1 761981750 YYRSRQYPZWRCIW-UHFFFAOYSA-N 445.479 4.390 5 20 IIBD Cc1c(Cc2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)cccc1[N+](=O)[O-] 762260599 JYLYDXAQPYRKFP-UHFFFAOYSA-N 433.218 4.139 5 20 IIBD CN1CC[C@@H](CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 762724961 DWXHYEOQOVXOGW-SCLBCKFNSA-N 426.275 4.464 5 20 IIBD O=C(Cc1ccccc1)Nc1cc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)ccc1F 763425154 JQLCAMYDNNTBJM-UHFFFAOYSA-N 429.354 4.446 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 766510657 PKCVLUNTUWWSFI-UHFFFAOYSA-N 445.453 4.258 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)c1coc(C2CCC2)n1)c1cccc([N+](=O)[O-])c1 767664969 RHCNMKLATUTKIO-QGZVFWFLSA-N 427.457 4.092 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1SCCS1 768580729 YIMZNSQEBDDISM-OAHLLOKOSA-N 438.914 4.277 5 20 IIBD Cc1ccc(N(C[C@@H]2CCCOC2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 769877884 MPKFFNPHBTVYBN-INIZCTEOSA-N 438.933 4.487 5 20 IIBD O=C1C[C@H](C(=O)N2CCCC[C@@H]2c2ccc(F)cc2F)CN1c1ccc(F)c([N+](=O)[O-])c1 770693987 VMXMUPBWJDRTBE-ORAYPTAESA-N 447.413 4.119 5 20 IIBD C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 771932484 WIFFIAYOQYWXJC-PWSUYJOCSA-N 448.398 4.404 5 20 IIBD CCCS(=O)(=O)Nc1cccc(NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1C 777649216 CHNVWVHXRMEHAU-UHFFFAOYSA-N 432.546 4.136 5 20 IIBD O=C(Nc1ccc(F)cc1I)C(F)(F)c1ccc([N+](=O)[O-])cc1 778029667 VAYOWLPMNWDSBW-UHFFFAOYSA-N 436.127 4.069 5 20 IIBD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nn1-c1ccc(Cl)cc1 778145969 FZVIJEPYBLCOLP-LBPRGKRZSA-N 446.822 4.065 5 20 IIBD Cc1nc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(-c2ccccc2)s1 778857266 IJZKZHJLJGBCFO-LLVKDONJSA-N 429.429 4.350 5 20 IIBD CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 781108139 SPVBGOAHYSUUQZ-GHXNOFRVSA-N 425.485 4.261 5 20 IIBD O=C(NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1sc2cc(Cl)ccc2c1Cl 781837914 QBUVDELSNPPBON-UHFFFAOYSA-N 449.268 4.374 5 20 IIBD O=C(NCc1ccc(COCC(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1Br 782164848 VQTXETZAZCKTIA-UHFFFAOYSA-N 447.207 4.366 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCc1cc2cc(Br)ccc2[nH]1 790568443 NUGMVRGQSJKZFZ-UHFFFAOYSA-N 440.656 4.490 5 20 IIBD C[C@@H](OC1CCCCCC1)C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791175195 WYCKLUNUAKZLEZ-CYBMUJFWSA-N 425.323 4.370 5 20 IIBD COc1cc(C(=O)O[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc([N+](=O)[O-])c1C 791687472 FMIQNLDTGJFARB-SNVBAGLBSA-N 427.240 4.403 5 20 IIBD Cc1ccc(NC(=O)[C@@H](C)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c(F)c1 792916665 ZPYAGXZSHFJNNE-GFCCVEGCSA-N 436.281 4.190 5 20 IIBD O=C(Nc1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cc1)c1ccco1 795757800 APIITCJLZJCPCA-UHFFFAOYSA-N 440.792 4.000 5 20 IIBD O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CCC[C@H]1c1ccc(Br)c(F)c1 797413407 KRFFSPWCTGWPJY-HNNXBMFYSA-N 436.237 4.199 5 20 IIBD Cc1cc(OCC(=O)OCc2nnc(-c3c(Cl)cccc3Cl)o2)ccc1[N+](=O)[O-] 797494315 XOVVUEBKBMZGRD-UHFFFAOYSA-N 438.223 4.382 5 20 IIBD CC[C@H](c1ccncc1)N(CC)C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O 798294148 LJDOPOHXRCEMDS-OAHLLOKOSA-N 429.864 4.148 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 799235364 XMRKFWNEBGAUPS-ZBFHGGJFSA-N 436.509 4.151 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)O[C@H]2CC(C)(C)Oc3ccccc32)ccc1[N+](=O)[O-] 799434387 PBLPBALFLDTHAD-CTNGQTDRSA-N 438.480 4.353 5 20 IIBD Cc1cc([N+](=O)[O-])cc(Cl)c1NCc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1 804700849 MIHXZKLSKCDDIE-OAQYLSRUSA-N 428.876 4.394 5 20 IIBD CC(=O)c1oc2cc(C)ccc2c1CC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 805665043 YATPQCNFFMWSPG-UHFFFAOYSA-N 444.827 4.230 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O 807986317 ICCWKFASUJZRCM-JGGQBBKZSA-N 429.286 4.042 5 20 IIBD O=C(Cn1cc(Br)c2ccsc2c1=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 810019128 ZRZVJMGNKHNTKL-UHFFFAOYSA-N 442.678 4.026 5 20 IIBD C[C@H](OC(=O)c1ccnc(N2CCC[C@@H](C)C2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 812650952 DMYOVZXWLQSGOM-KGLIPLIRSA-N 446.891 4.064 5 20 IIBD Cc1cc(Cl)c(C(=O)O[C@H](C(=O)N[C@H]2CCOc3ccccc32)C(C)C)cc1[N+](=O)[O-] 815405903 NJVHWUUSJYDCST-PXNSSMCTSA-N 446.887 4.378 5 20 IIBD C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[C@H](c2cccc(C(F)(F)F)c2)O1 816996275 LGKBTRNFTPCISO-ORAYPTAESA-N 437.418 4.282 5 20 IIBD CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 917856766 HDRNUWPBEDNGPW-UHFFFAOYSA-N 439.740 4.283 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)c1ccn(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 918636574 XLVQTFZMHBPCBJ-LJQANCHMSA-N 448.479 4.022 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 918874628 GLEYWWUPNVYWBL-STQMWFEESA-N 438.452 4.116 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)c1 920704118 YVQMWHAZIDPTLV-QGZVFWFLSA-N 440.374 4.442 5 20 IIBD O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCCC1 1317849838 CPHZDSHWEARRDA-JOCHJYFZSA-N 445.523 4.247 5 20 IIBD O=[N+]([O-])c1ccc(CNc2cccc(CS(=O)(=O)C3CCCCC3)c2)c([N+](=O)[O-])c1 1327606110 ZMHAAYKUGFCRBE-UHFFFAOYSA-N 433.486 4.363 5 20 IIBD COc1cccc(CC2CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3N)CC2)c1 1332146242 XFIIMVMMWVLVHU-UHFFFAOYSA-N 448.317 4.043 5 20 IIBD O=C(NCCc1nc(Cc2ccccc2)no1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 1336781496 BOHBAOLGFIOIDH-UHFFFAOYSA-N 444.447 4.333 5 20 IIBD Cc1cccnc1CCC(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCC2)cc1 1786794046 URCSTUQLWSLPDP-UHFFFAOYSA-N 448.479 4.272 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)s1 1793938626 MDULIQRJVSBFGG-MUJYYYPQSA-N 447.944 4.194 5 20 IIBD Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C3)cc1C 1799659317 WINRPHDHFOTZDP-IAMPMHKFSA-N 433.508 4.177 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1CCCC1 1801206883 BFIGESZMAPQVOG-BJWYYQGGSA-N 427.526 4.252 5 20 IIBD COc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CC(C)(C)C)CC2)ccc1[N+](=O)[O-] 1826337418 IFYPELYDLMXWEC-LJQANCHMSA-N 445.560 4.273 5 20 IIBD CCC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(O)c([N+](=O)[O-])c3)CC2)CCC1 1830487196 AMAGGJOYWVGFJF-IBGZPJMESA-N 443.544 4.114 5 20 IIBD COc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 9868474 LNCQKBDJNGSXCX-LLVKDONJSA-N 433.848 4.015 5 20 IIBD O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)Nc1cc([N+](=O)[O-])ccc1F 9929127 VMLXTWPZVNQLNC-UHFFFAOYSA-N 439.428 4.305 5 20 IIBD COc1cccc([C@@H]2CCCN2CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1 10225776 ORUGTSDOJBDHDY-SFHVURJKSA-N 434.290 4.142 5 20 IIBD COc1cccc(Nc2nnc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)s2)c1 10267561 LRVNUGJPKFTNNF-NSHDSACASA-N 431.499 4.318 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1nc(-c2ccc(F)cc2)cs1 10665636 IMDLPWGRRDJFPT-UHFFFAOYSA-N 435.820 4.306 5 20 IIBD CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nnc1-c1ccccc1OC 10936722 HTKXSZXLSQMOLN-UHFFFAOYSA-N 447.904 4.266 5 20 IIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)c(Cl)c1 15411332 NSNLWMDZQBOXQC-MRXNPFEDSA-N 442.324 4.392 5 20 IIBD Cn1cc(Br)cc1C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 16260667 QOPRFVWYNDMIAR-UHFFFAOYSA-N 444.241 4.167 5 20 IIBD C[C@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(Br)c1 23445090 GIDSZRYHUABHBL-VIFPVBQESA-N 427.638 4.195 5 20 IIBD Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)CC3 25544716 ADXQZCQRXSFRHV-UHFFFAOYSA-N 443.507 4.445 5 20 IIBD CCN(CC)C(=O)COc1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 27400115 JWJQIFYXCZJSKY-UHFFFAOYSA-N 427.482 4.309 5 20 IIBD CCOc1ccc(C(=O)OCC(=O)N[C@@H](c2ccccc2)c2cccs2)cc1[N+](=O)[O-] 27935536 HPTCMTSFKJKMCW-NRFANRHFSA-N 440.477 4.118 5 20 IIBD CC(C)OC(=O)C[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1)CCC2)c1ccccc1[N+](=O)[O-] 31716257 RHEXEERRDCTCHD-IIBYNOLFSA-N 440.496 4.050 5 20 IIBD CCCOc1ccc(CN(CCC)S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1OC 58562553 GZFXJBVVPXQBJH-UHFFFAOYSA-N 436.530 4.302 5 20 IIBD COc1cc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)c([N+](=O)[O-])cc1OC(F)F 61503016 SAHILRVTUXSSLQ-GOSISDBHSA-N 449.454 4.080 5 20 IIBD O=C(NCc1cccnc1Oc1cccc(F)c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 72008895 VUMRKMHPQZXOGW-UHFFFAOYSA-N 436.443 4.451 5 20 IIBD Cc1noc(C)c1[C@@H](C)Nc1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-] 301287150 OURRCAQNEZHILH-MFOWVQHXSA-N 436.534 4.230 5 20 IIBD O=[N+]([O-])c1c(Sc2nnc(-c3cccs3)n2Cc2ccco2)nc2sccn12 301709076 JNIXRBGUHCPCKZ-UHFFFAOYSA-N 430.496 4.417 5 20 IIBD CCC[C@H]1CCc2nc(NC(=O)c3nnn(-c4cccc([N+](=O)[O-])c4)c3C)sc2C1 303009932 JUDZUUUFPHZNCQ-ZDUSSCGKSA-N 426.502 4.098 5 20 IIBD CN(Cc1cccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1)Cc1cscn1 303501037 NCWFUQJGDWSSAM-UHFFFAOYSA-N 448.508 4.121 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)cc1OC 303733610 FPKOQCPLSZHPEO-IEBWSBKVSA-N 441.528 4.127 5 20 IIBD CCCn1nccc1C1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC1 410293426 VQNZIVDNPOGCNS-UHFFFAOYSA-N 440.422 4.162 5 20 IIBD O=C(O)c1ccccc1CCNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 426639444 WFSUMSWWNWAPHR-UHFFFAOYSA-N 442.475 4.478 5 20 IIBD C[C@H](NC(=O)Nc1ccc(F)cc1I)c1cccc([N+](=O)[O-])c1 428799904 KTDSFCRQVAKOJM-VIFPVBQESA-N 429.189 4.221 5 20 IIBD CN(CCCNC(=O)C1CCC1)C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 429485133 ABAOZBUOYMMKHZ-UHFFFAOYSA-N 427.526 4.124 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CC[S@@](=O)C1 432616890 LRRUHXUUIHKWTF-DBDZUICISA-N 438.958 4.240 5 20 IIBD CC(C)n1c([C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)C2)nc2ccccc21 437310783 YCGDKUOKJQCSPK-OAHLLOKOSA-N 446.504 4.233 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N[C@H]3C[C@H](c4cc(F)cc(F)c4)C3)cc2)c(C)c1[N+](=O)[O-] 437475757 MNOFFICWVBQXSM-XGAFWQRZSA-N 440.450 4.411 5 20 IIBD COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 439104756 ATWHLZKEIXSDFN-LJQANCHMSA-N 425.485 4.279 5 20 IIBD COC[C@@H](NC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)C1CC1 441513646 IZGNCVIEYKLDGR-QGZVFWFLSA-N 437.855 4.404 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 444905311 JZXMQFAZIJYGAY-UHFFFAOYSA-N 438.415 4.317 5 20 IIBD O=C(Nc1cccc(-c2nc(-c3ccc([N+](=O)[O-])s3)no2)c1)[C@@H]1Cc2ccccc2O1 445474460 XQXBDLAAMFMHLP-INIZCTEOSA-N 434.433 4.316 5 20 IIBD C[C@@H](c1nc(CC(=O)Nc2ccccc2Br)no1)c1ccc([N+](=O)[O-])cc1F 445485799 DKCXTKIGXCEYQW-SNVBAGLBSA-N 449.236 4.212 5 20 IIBD CC(C)c1ccc(-c2noc(-c3ccc([N+](=O)[O-])cc3I)n2)cn1 445511495 JVGQVNXLPSUHHG-UHFFFAOYSA-N 436.209 4.435 5 20 IIBD Cc1ccccc1CN(C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 447019492 CKIMRKHJUSPRQT-UHFFFAOYSA-N 425.304 4.019 5 20 IIBD C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1cccc(OC(F)F)c1 447038507 NXPXIBZOILQMGE-SECBINFHSA-N 440.346 4.255 5 20 IIBD O=C(N[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1)c1cc2ccccc2o1 447195496 RJPNOBDDXAGPHP-CQSZACIVSA-N 431.395 4.341 5 20 IIBD COc1cccc(CNC(=O)[C@@H](C)Sc2ccc(Br)cc2[N+](=O)[O-])c1 447354857 MYWGMPBAVSCVFM-LLVKDONJSA-N 425.304 4.163 5 20 IIBD COc1cc(CS(=O)(=O)Cc2ccc(C(F)F)cc2)c([N+](=O)[O-])cc1OC(F)F 460658976 UOOFDIAMWTXMPL-UHFFFAOYSA-N 437.367 4.257 5 20 IIBD Cc1c(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cccc1-n1cnnc1O 461088319 UGZNUEJSZXPYMV-UHFFFAOYSA-N 445.435 4.021 5 20 IIBD C[C@H]1CCO[C@H]1c1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1Cc1cccs1 461505979 HHHWNAQUPKQKNF-HNAYVOBHSA-N 427.530 4.073 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 462427440 LOWDTZVMZABTBW-IRFCIJBXSA-N 439.556 4.089 5 20 IIBD CSc1ccc(C(=O)NC[C@H](C)Oc2cccc(Br)c2)cc1[N+](=O)[O-] 464676875 IWMXBZFNXHUFIT-NSHDSACASA-N 425.304 4.277 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)c([N+](=O)[O-])c1 466291353 WHCQQJIBXRQJBD-UHFFFAOYSA-N 439.449 4.136 5 20 IIBD Cc1cc(C)n(-c2ccc(CCNC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)cc2)n1 466558882 JHGIPECIWONROS-UHFFFAOYSA-N 427.892 4.093 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cc3c(cc2Br)CCC3)cc([N+](=O)[O-])c1 468161695 XNOPITGVLOSFHC-UHFFFAOYSA-N 433.258 4.275 5 20 IIBD CC1CCN(c2ccc(C(=O)N(C)Cc3cc(Br)cn3C)cc2[N+](=O)[O-])CC1 468218622 NLORMWFYNMONOR-UHFFFAOYSA-N 449.349 4.204 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCSc3ccc(F)cc32)c(Br)c1 468823571 FNBNREAYWQLFDC-UHFFFAOYSA-N 447.307 4.188 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ccc(N3CCCCC3)c3ncccc23)cc([N+](=O)[O-])c1 471453845 ZKOAWEYVVRDEJP-UHFFFAOYSA-N 434.452 4.172 5 20 IIBD O=C(Nc1ccc(F)c(Cl)c1)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 473768321 XDKSLUSTLGXZHZ-UHFFFAOYSA-N 432.843 4.008 5 20 IIBD C[C@H](Cc1nc2ccccc2s1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 479243997 BJPGAKLOKLXSMJ-LLVKDONJSA-N 434.315 4.257 5 20 IIBD C[C@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)C1(c2ccccc2)CCCC1 479773953 LDUZJKWTDOOINV-KRWDZBQOSA-N 437.496 4.300 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2CN2CCCC[C@@H]2C)cc1OC 481628324 QCKCOHAFJNCTDV-KRWDZBQOSA-N 441.528 4.307 5 20 IIBD COc1ccc(-c2cc(NC(=O)c3cnc(O)c([N+](=O)[O-])c3)ccc2OC(F)F)cc1 484272786 BTUXTRISXIFLCH-UHFFFAOYSA-N 431.351 4.225 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@H]2CCOC3(CCC3)C2)c([N+](=O)[O-])c1 486891631 DCAAXOVFIJFFMP-KRWDZBQOSA-N 445.541 4.324 5 20 IIBD Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 487037907 BNZFWENWMDFHFM-UHFFFAOYSA-N 433.827 4.025 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 491215039 AHVKOQWONGPTDQ-OAQYLSRUSA-N 439.418 4.220 5 20 IIBD Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cccc(COC(C)(C)C)c2C)cc1[N+](=O)[O-] 493914520 AQVRTACGATXOMZ-INIZCTEOSA-N 427.501 4.343 5 20 IIBD O=C(NCCOc1ccccc1-c1ccccc1)c1cc([N+](=O)[O-])ccc1SCCO 497654765 BKDKTZAIXQZSAD-UHFFFAOYSA-N 438.505 4.155 5 20 IIBD CC(=O)Nc1cc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc(C(F)(F)F)c1 498149562 NJLOKHGAWJTNNL-SFHVURJKSA-N 439.415 4.460 5 20 IIBD O=C(Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 499356217 LVEMBQCUJAUJAM-UHFFFAOYSA-N 435.827 4.245 5 20 IIBD CCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 499462320 ZITMMDZOHWXQJY-UHFFFAOYSA-N 431.905 4.190 5 20 IIBD O=C(NC1CCN(c2nccs2)CC1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 500679771 JXGBLPMIWXNUGX-UHFFFAOYSA-N 437.525 4.062 5 20 IIBD Cc1ccc(-c2csc3ncn(CCC(=O)NCc4ccccc4[N+](=O)[O-])c(=O)c23)cc1 500777647 HNUFRLYNOLQFPO-UHFFFAOYSA-N 448.504 4.048 5 20 IIBD CSc1ccc(NC(=O)Cn2cc(Nc3ccc(C(C)=O)cc3[N+](=O)[O-])cn2)cc1 501233609 GCAPTLIOXLOHPC-UHFFFAOYSA-N 425.470 4.098 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 501234457 JGAVFKCPNMDRJM-UHFFFAOYSA-N 446.481 4.298 5 20 IIBD Cc1nn(Cc2ccc(C(=O)NCc3ccc(OC4CCCC4)nc3)cc2)c(C)c1[N+](=O)[O-] 501333598 PEQJIVHERYWTRX-UHFFFAOYSA-N 449.511 4.103 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2scnc2-c2ccccc2)cc1OC 502740749 VZVVOQIXNAJKDO-UHFFFAOYSA-N 429.454 4.004 5 20 IIBD COCc1c(Br)cccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 505347046 XJFLFRRZGVTAJW-UHFFFAOYSA-N 434.290 4.356 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3ccc4nc(C)nn4c3)cc2[N+](=O)[O-])n1 507147288 XWQAOOUGBQNPHD-UHFFFAOYSA-N 426.483 4.114 5 20 IIBD COCCn1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)n1 507149757 ONLJAHCRYMSOPR-UHFFFAOYSA-N 432.889 4.495 5 20 IIBD Cc1c(Br)cc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1[N+](=O)[O-] 509640071 YJVSVFJLUOZCRS-UHFFFAOYSA-N 431.286 4.401 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3cc(C)oc3C)cs2)cc1OC 511416410 DVVFDPXLENYSJB-UHFFFAOYSA-N 447.469 4.214 5 20 IIBD COc1ccc(-n2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3C(=O)c3ccccc3)n2)cc1 512299084 LTJPWAYDYLBMKJ-UHFFFAOYSA-N 442.431 4.272 5 20 IIBD Cc1nc(COc2ccc(F)cc2)sc1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 513031258 KRVWICJTVWGCKQ-UHFFFAOYSA-N 429.473 4.393 5 20 IIBD CCCOc1cc(NC(=O)NCc2noc3c2CCCC3)c([N+](=O)[O-])cc1OCCC 514113328 RPLJUCQQAIABFH-UHFFFAOYSA-N 432.477 4.361 5 20 IIBD Cc1ccc(C(=O)Nc2ccccc2)cc1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 515445357 OHPRQGLGZMCPHW-UHFFFAOYSA-N 430.464 4.157 5 20 IIBD NC(=O)c1ccc(Cl)c(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 518338007 DXEICUWXSKAXOZ-UHFFFAOYSA-N 433.795 4.097 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 521637332 KUKBRTBBINEZQC-KRWDZBQOSA-N 429.231 4.263 5 20 IIBD C[C@H](Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C(=O)NC[C@@H]1COc2ccccc2O1 522717300 TXZPVWMXSBMIDF-HRAATJIYSA-N 449.463 4.144 5 20 IIBD COC(=O)c1cc(NC(=O)c2sc(Cc3ccc(F)cc3)nc2C)cc([N+](=O)[O-])c1 522870379 HROPGIPLFGOCTC-UHFFFAOYSA-N 429.429 4.129 5 20 IIBD CC(C)Cc1ccc([C@@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C2CC2)cc1 523938457 OBZBLFRHRWUYBL-HSZRJFAPSA-N 437.544 4.171 5 20 IIBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(CCCOc2ccc3ccccc3c2)CC1 524113120 QTQLTQSBRDDJBJ-UHFFFAOYSA-N 425.510 4.036 5 20 IIBD Cc1cc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)ccc1[N+](=O)[O-] 524549250 SJMDRIMZAOQGFQ-UHFFFAOYSA-N 429.429 4.095 5 20 IIBD C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 524654147 ROAYGOADTUKZEI-XIKOKIGWSA-N 437.315 4.399 5 20 IIBD CCOC(=O)c1csc(N(C(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccc(OC)cc2)n1 524665445 VRJHQMUWYLRCDN-UHFFFAOYSA-N 441.465 4.144 5 20 IIBD C[C@H](NC(=O)c1cc2ccccc2c2cccnc12)[C@H]1CN(Cc2ccccc2)CCO1 525464552 FTZRNCURKDXEDP-UQBPGWFLSA-N 425.532 4.407 5 20 IIBD CC(C)Sc1c(Cl)cccc1NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 525524704 HCQKOCZKNSROQK-UHFFFAOYSA-N 444.918 4.321 5 20 IIBD CN([C@H](c1ccncc1)c1ccc(Cl)cc1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 531380188 HEMNYEFQXLTKHK-FQEVSTJZSA-N 431.901 4.194 5 20 IIBD COc1ccc(CC(=O)N(Cc2csc(Br)c2)C2CC2)cc1[N+](=O)[O-] 532786368 NMVXZKZVBSHSNK-UHFFFAOYSA-N 425.304 4.161 5 20 IIBD O=C(NCC(=O)N(Cc1ccccc1F)C1CCCCC1)c1c(Cl)cccc1[N+](=O)[O-] 532944049 HDCPSVPAJYMSMI-UHFFFAOYSA-N 447.894 4.479 5 20 IIBD O=[N+]([O-])c1cccc(CS(=O)(=O)Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)c1 535159421 SPVSUEDDHHXTKQ-UHFFFAOYSA-N 426.372 4.384 5 20 IIBD CCn1cc(S(=O)(=O)Nc2cccc(CSCc3ccccc3)c2)c([N+](=O)[O-])n1 535233376 JLBFQOUGPFLMNW-UHFFFAOYSA-N 432.527 4.045 5 20 IIBD CC[C@@H](C)n1nc(NC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cc1C 538354915 BBVQUWYPMIEFJO-RHSMWYFYSA-N 431.493 4.275 5 20 IIBD C[C@H](C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1ccc([N+](=O)[O-])cc1F 542532895 MJEIHVHZYWBMFO-BTDLBPIBSA-N 440.258 4.066 5 20 IIBD CC(C)(C)c1ccc(-c2nc(-c3ccccc3CN3CCC[C@H]3C(N)=O)no2)cc1[N+](=O)[O-] 545693710 BPZDTGXQTYISJW-IBGZPJMESA-N 449.511 4.059 5 20 IIBD CC(C)OC(=O)C[C@@H]1CCCN(C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)C1 547358981 YGMZLZDRFPQXMJ-QRVBRYPASA-N 445.560 4.271 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)N[C@H](C(C)(C)C)C(F)(F)F)c1ccccc1[N+](=O)[O-] 547855609 WRSMELNDLFIZRJ-XJKSGUPXSA-N 433.427 4.254 5 20 IIBD COc1ccc(CCNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)c(Cl)c1OC 549194545 NUIAQAWUJQZVMJ-UHFFFAOYSA-N 433.892 4.156 5 20 IIBD Cc1ccc(C)c(NC(=O)[C@@H](C)[S@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1 550957453 VVIPWLLSCGGAJU-DHMKHTPVSA-N 427.482 4.143 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 553034161 YPCCETJNAJHPTB-ZHALLVOQSA-N 431.286 4.002 5 20 IIBD C[C@H](C(=O)N(CCN(C)C)Cc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 558690488 REUWTPQWYRMSCI-HNNXBMFYSA-N 434.334 4.051 5 20 IIBD COc1cccc(Cc2nnc(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)s2)c1 559626471 OFVMDMIOXWASPT-UHFFFAOYSA-N 438.387 4.317 5 20 IIBD COCC[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(Cl)c(Cl)c1 560191857 ICTFBPVHUZRCKQ-INIZCTEOSA-N 440.283 4.043 5 20 IIBD CO[C@@H](C)c1nc(=NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)s[nH]1 561009498 NDGNFSQYFZOEIU-NSHDSACASA-N 447.904 4.093 5 20 IIBD O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1C[C@H]2CCC[C@@H](C2)C1 561083940 WIJZGNIZXUNWMU-GJZGRUSLSA-N 425.451 4.479 5 20 IIBD CC(=O)c1cc(NCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)ccc1[N+](=O)[O-] 561135857 WQQKYKGYSXFZPJ-UHFFFAOYSA-N 449.486 4.270 5 20 IIBD Cc1c(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)cnn1-c1ccc(Br)cc1 564226129 XCHXFTHXOYPTSL-UHFFFAOYSA-N 441.285 4.444 5 20 IIBD CC(C)c1ccc(-n2cnnc2SCC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1 568307543 ZGOWAVWZHIKUDN-UHFFFAOYSA-N 439.541 4.092 5 20 IIBD CC(=O)N(c1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1)[C@H]1C[C@@H]1C 568684256 OHHSXBQJQGPXHF-HJPURHCSSA-N 436.512 4.211 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN(CCCO)Cc3ccccn3)o2)c(Br)c1 571783998 QVRUQVFFVBAVIW-UHFFFAOYSA-N 446.301 4.397 5 20 IIBD Cc1c([N+](=O)[O-])cn(Cc2csc(CCc3ccccc3)n2)c(=O)c1Br 572558226 XRTLPIXKSAYCFU-UHFFFAOYSA-N 434.315 4.117 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1cc(F)ccc1F)C1CCCC1 582457148 BJSLVAAOEVZKFF-UHFFFAOYSA-N 431.439 4.345 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 588177011 MGGDZAWLZLGMST-RJGXRXQPSA-N 436.556 4.079 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O 590538084 PDCKUVDFDVTQNF-QGTPRVQTSA-N 425.323 4.212 5 20 IIBD COc1cc(CNc2ccc3oc(CO)cc3c2)c([N+](=O)[O-])cc1OCC(F)(F)F 600860192 FQIYZRFUDVRDKN-UHFFFAOYSA-N 426.347 4.395 5 20 IIBD Cc1nc(-c2ccccc2)[nH]c1C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 603832858 YFNKLUYPNMRCAY-SFHVURJKSA-N 436.468 4.106 5 20 IIBD Cc1ccc(NC(=O)C(C)C)cc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 603976709 QMGODJAJPLZHSV-UHFFFAOYSA-N 425.894 4.260 5 20 IIBD COc1ccc(CSCC(=O)Nc2cccc(-c3cn4cccnc4n3)c2)cc1[N+](=O)[O-] 603980823 WIPSSDSWMMFEKP-UHFFFAOYSA-N 449.492 4.185 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N1CCc2cccc(Cl)c21 604567037 WJEXDFIBJHYVHC-UHFFFAOYSA-N 428.613 4.056 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 608866468 QJCATJIHHWZBLD-FQEVSTJZSA-N 444.451 4.198 5 20 IIBD Cc1cc(Sc2ncccn2)ccc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 608895301 BCGITBXELGQMNB-UHFFFAOYSA-N 432.465 4.282 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCc2sccc2[C@@H]1c1cccs1 608935234 NEZHDDVBHVQVQQ-GOSISDBHSA-N 428.491 4.277 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCO[C@@H](c4cccc(F)c4)C3)cc2[N+](=O)[O-])C1 608965385 XHYDLSYDOUDVII-SAHWJRBASA-N 441.503 4.430 5 20 IIBD CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 609202337 OJGYDTGCKRTQBY-IBGZPJMESA-N 441.875 4.031 5 20 IIBD COC(=O)c1c(F)cccc1NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 609217487 RLZOAMOPVOMSRP-CYBMUJFWSA-N 438.415 4.341 5 20 IIBD C[C@@H](c1c(F)cccc1F)N(C)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 609418754 QWRCGXJTLQSZQF-VIFPVBQESA-N 435.246 4.017 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c(-c2nc3ccccc3[nH]2)c1 609501875 HIYYRUULPQPLAV-UHFFFAOYSA-N 430.420 4.470 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 609548644 RJGCGISFSPSRRV-IUCAKERBSA-N 437.296 4.052 5 20 IIBD CNC(=O)c1ccc(N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)c([N+](=O)[O-])c1 609585749 FLVNLPWWAHGART-UHFFFAOYSA-N 435.480 4.178 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1CCC[C@H](N2CCCC2)C1 610132983 OHQZBCRZMNTTMN-UGKGYDQZSA-N 442.947 4.488 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 610498885 DNDRWQLISSJKBK-IBGZPJMESA-N 425.485 4.149 5 20 IIBD Cc1ccc([C@@H](Nc2ncnc3ccc([N+](=O)[O-])cc23)c2cccc(S(C)(=O)=O)c2)cc1 611708819 RFNNYOBEICDPEA-JOCHJYFZSA-N 448.504 4.451 5 20 IIBD Cc1ccc(CCC(=O)N2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)cc1Cl 614036249 VKITYUKAGUURNA-UHFFFAOYSA-N 441.919 4.104 5 20 IIBD C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1cccc([N+](=O)[O-])c1 617687794 HPSQTUWCDDKBJY-MRXNPFEDSA-N 439.493 4.162 5 20 IIBD CO[C@]1(C(F)(F)F)CCCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 618702018 QUYOTYUTUYHACG-HXUWFJFHSA-N 438.402 4.357 5 20 IIBD CC[C@@H](C)n1ncc2c(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc(C)nc21 725957497 QURNJRDGBGRUNF-GFCCVEGCSA-N 445.863 4.068 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@H](Sc1cc(F)ccc1F)c1ccccc1 730398610 LCOFJTPFWVOOBD-LJQANCHMSA-N 433.436 4.455 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 732291153 RTMWAIRHOZHXND-OAQYLSRUSA-N 441.871 4.088 5 20 IIBD CN(C(=O)COC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCc2ccccc21 735001164 SRWQIEYHDBNLBQ-SFHVURJKSA-N 446.887 4.096 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(N3CCO[C@H](C)C3)cc2)CC1 736497621 UKXPARWQYJGKTB-GOSISDBHSA-N 438.528 4.309 5 20 IIBD CN1C(=O)CC[C@@H](COC(=O)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(C(F)(F)F)cc1 737376103 QULWKVVHGAUBGO-IFXJQAMLSA-N 436.386 4.380 5 20 IIBD O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)c1ccc([N+](=O)[O-])cc1Br 739524838 FYDNLGOYWIFXRV-UHFFFAOYSA-N 426.217 4.488 5 20 IIBD C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC[C@H]1c1ccccc1 742315188 CTXTWLBHHVWPTO-XJKSGUPXSA-N 439.331 4.172 5 20 IIBD Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)Oc2cccc([N+](=O)[O-])c2)C1 742499267 VTWOMDQUIKXDTD-CQSZACIVSA-N 447.285 4.124 5 20 IIBD O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C/c1cc(Cl)ccc1OC[C@@H]1CCCO1 743279950 CMPBXAUWCQQGSB-SZLZGVTBSA-N 428.828 4.151 5 20 IIBD COc1cc(N2CCC(OC(=O)[C@@H]3C[C@@]34CCCc3ccccc34)CC2)ccc1[N+](=O)[O-] 744175969 WXPKNYOWZWDIOP-SQJMNOBHSA-N 436.508 4.410 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2cnc3n[nH]c(C)c3c2)c2ccccc2)c([N+](=O)[O-])c1 744784151 FETZGEQWUPJNIA-FQEVSTJZSA-N 445.435 4.020 5 20 IIBD CC(C)C(=O)Nc1cccc(F)c1C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 745033905 KOKKFINZGXYAFF-LBPRGKRZSA-N 442.403 4.296 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)[C@@H](C)c2ccc(Br)s2)cccc1[N+](=O)[O-] 745644282 YKXKJJJGPMWDDP-QWRGUYRKSA-N 441.303 4.401 5 20 IIBD O=C(OCc1nc(-c2ccccn2)no1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 746059114 NYSRYLRBSDVHJF-UHFFFAOYSA-N 431.408 4.009 5 20 IIBD CCC[C@H](C)CC(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 748607688 SQQXKYYMPGBBTA-JASJWYONSA-N 439.921 4.227 5 20 IIBD CSc1cccc(NC(=O)CN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c1 750616741 RLZOFYNYJKHLAV-UHFFFAOYSA-N 436.331 4.076 5 20 IIBD O=C(Nc1cccc(Cl)c1)N1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 751397188 QEGWKKQCLBAUGT-UHFFFAOYSA-N 437.283 4.282 5 20 IIBD C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 755032271 ZTYIIOQCWYRHTO-LBPRGKRZSA-N 445.277 4.163 5 20 IIBD CC[C@@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[C@@H](O)c1c(F)cccc1F 755035483 LCYNHEOORPHNBR-CZUORRHYSA-N 444.232 4.269 5 20 IIBD O=C(O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccc(NC(=O)c2cccs2)cc1 759931252 LMGSHYQQVLZHHU-IAGOWNOFSA-N 440.481 4.446 5 20 IIBD Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NCCc1cccc([N+](=O)[O-])c1 759995601 RQLKDCAUDLUNFH-UHFFFAOYSA-N 433.295 4.427 5 20 IIBD N=C(NOCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(OCc2cccnc2)c1 760352290 YTDHLDUEZUUNLB-UHFFFAOYSA-N 445.435 4.271 5 20 IIBD Cc1cc(C)c(NC(=O)CCCOC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)c(C)c1 762976923 YWDPZQSDMPFGRE-UHFFFAOYSA-N 428.470 4.100 5 20 IIBD O=C(c1cnn(-c2ccccc2)c1Br)N1CCCc2ccc([N+](=O)[O-])cc21 765058755 SHXHJCSKQIZISY-UHFFFAOYSA-N 427.258 4.136 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](c2nnc(S)n2C(C)C)C1 765516654 VJBIMANLSOEXDZ-IAGOWNOFSA-N 431.562 4.031 5 20 IIBD COc1ccccc1N1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2C1=O 765981712 IDEUIRPWLBFOFG-PDGQHHTCSA-N 445.387 4.239 5 20 IIBD Cc1cccc([C@H](O)CN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])Cc2ccccc2)c1 767903305 CPJDRGRYZMZBEO-HSZRJFAPSA-N 433.508 4.386 5 20 IIBD Cc1ccc(Cc2nc(C(=O)O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)cs2)cc1 768653831 RZCVFANNQJBYGJ-HNNXBMFYSA-N 439.493 4.443 5 20 IIBD Cc1nn(Cc2ccc(C(=O)OC[C@@H]3CCO[C@H]3c3ccccc3)cc2)c(C)c1[N+](=O)[O-] 769343565 GGCBYIOAYYWXGY-GMAHTHKFSA-N 435.480 4.391 5 20 IIBD COc1cc(C2SCCS2)ccc1OS(=O)(=O)CCc1ccccc1[N+](=O)[O-] 769752905 ORUHQXYIUFJOAG-UHFFFAOYSA-N 441.552 4.033 5 20 IIBD C[C@@H]1CN(c2ccc(NC(=O)c3sc(Br)cc3[N+](=O)[O-])cc2)C[C@@H](C)O1 770327832 NSQKDKYWFKBWMT-GHMZBOCLSA-N 440.319 4.285 5 20 IIBD O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(-c2n[nH]c(C3CC3)n2)cc1 770869827 ITJQRNQAXULYCM-UHFFFAOYSA-N 431.408 4.269 5 20 IIBD C[C@H]1C[C@H](CNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 771327922 WVMWPGULCKOMPX-UONOGXRCSA-N 431.876 4.045 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H](O)c2c(Cl)cccc2Cl)cc1SC 771712499 NATOAEYPAGWXDM-VVVCHXIZSA-N 445.324 4.484 5 20 IIBD O=C(c1ccc(Cl)cc1)N1CCCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 774635946 TZQHGGKLSHMTKT-UHFFFAOYSA-N 448.310 4.057 5 20 IIBD C[C@H](Sc1ncccc1C(=O)OCc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCCC1 778093726 PPJRYAPNVNDFAU-ZDUSSCGKSA-N 449.916 4.103 5 20 IIBD Cc1cc(COC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)ccc1[N+](=O)[O-] 781170168 IKFZJGXTTBHZBV-UHFFFAOYSA-N 440.525 4.485 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCc1ccc(OCc2ccccc2)cc1 781600702 CYXIGIYSEASPNV-UHFFFAOYSA-N 435.436 4.331 5 20 IIBD CC(=O)Nc1ccc2nc(NC(=O)c3cccc([N+](=O)[O-])c3Br)sc2c1 782165130 ZVBXPIMMCKURNQ-UHFFFAOYSA-N 435.259 4.178 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 782413532 BNPWVSBMPJLAEF-JKSUJKDBSA-N 432.521 4.079 5 20 IIBD O=C(CCN1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1)Nc1cc([N+](=O)[O-])ccc1F 782532072 VYYWTSDLSSTZEM-SFHVURJKSA-N 441.381 4.155 5 20 IIBD C[C@H](N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccc(N)c([N+](=O)[O-])c1 788710288 HDHAFSBLQDUICK-SCLBCKFNSA-N 436.434 4.038 5 20 IIBD COCc1c(Br)cccc1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790894884 ORPQMFQJUTZCPV-UHFFFAOYSA-N 431.645 4.477 5 20 IIBD C[C@H](c1nc(O)c2ccccc2n1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 792896388 GMOUILQVLCLBKR-LLVKDONJSA-N 429.274 4.125 5 20 IIBD CN(c1ccc(Cl)cc1F)S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] 795362572 OLLUEPNICQGGEE-UHFFFAOYSA-N 441.637 4.114 5 20 IIBD Cc1nc(-c2ccccc2NC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cs1 797346085 VHBLVWIMFXGKKM-ZDUSSCGKSA-N 440.456 4.157 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])c(N2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)cc1Cl 799331252 SPROXZKWSVYEFR-ZDUSSCGKSA-N 441.912 4.166 5 20 IIBD COc1ccc(CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)[C@H](C)C2CC2)c(OC)c1 801062796 SUJRHZJFBXCFTR-CQSZACIVSA-N 443.456 4.270 5 20 IIBD C[C@@H](C(=O)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])n1ccc2ccccc2c1=O 805910598 VHUFROMUKHWGSE-KSFYIVLOSA-N 429.432 4.199 5 20 IIBD COc1cc(C(=O)O[C@@H](C)c2ccc(S[C@@H]3CCCCNC3=O)cc2)ccc1[N+](=O)[O-] 809046089 KBILLZAUEJRHIN-VBKZILBWSA-N 444.509 4.282 5 20 IIBD COc1nnccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 809376493 JGDSZSLHOKLRSB-UHFFFAOYSA-N 447.495 4.105 5 20 IIBD CC(C)C[C@@H](NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 810344756 FPHIAKQGFMGQPT-MRXNPFEDSA-N 434.290 4.199 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1cccc2ccccc12 810345164 QZNVRWRGZXRMDH-LBPRGKRZSA-N 442.269 4.326 5 20 IIBD O=C(NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)c1cc([N+](=O)[O-])ccc1Cl 810742542 RAGWJJKFYRMXOC-UHFFFAOYSA-N 440.765 4.333 5 20 IIBD CCc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)ccc1O 811306422 RHUGRFAYHRSVAA-JTQLQIEISA-N 426.347 4.066 5 20 IIBD CCN(Cc1cccc(F)c1)C(=O)COC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811373068 ORWONTZSNLHGJK-UHFFFAOYSA-N 429.231 4.246 5 20 IIBD O=C(CCC1CCCC1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 813404867 ICZXAHKXVREZDL-UHFFFAOYSA-N 428.316 4.156 5 20 IIBD COC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)CC1 813421623 YHAQVBCPRMYSOX-UHFFFAOYSA-N 437.540 4.305 5 20 IIBD COC(=O)c1ccc(OC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(OC)c1 899096941 YAFRTIXIAOECRA-UHFFFAOYSA-N 445.371 4.107 5 20 IIBD O=[N+]([O-])c1cc2c(cc1-c1nc(-c3cccc(Cn4cnc5ccccc54)c3)no1)OCO2 904490410 KGJIMPNPZXWVGL-UHFFFAOYSA-N 441.403 4.439 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 914722206 YXDYNPWJCDWAOY-HNNXBMFYSA-N 444.221 4.423 5 20 IIBD O=C(COC(=O)c1csc(Cc2ccccc2)n1)Nc1ccc(Cl)c([N+](=O)[O-])c1 915451388 BVSIXZMRADQURI-UHFFFAOYSA-N 431.857 4.091 5 20 IIBD O=C(NC1CCC2(CC1)OCCO2)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 916427976 GZJISSIBBAESJD-UHFFFAOYSA-N 432.860 4.456 5 20 IIBD COC(=O)C[C@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 916498174 GAGRUMWVTINRHP-AWEZNQCLSA-N 446.765 4.181 5 20 IIBD O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(Cn3ncsc3=S)CC2)s1 917466552 XPDIBLPLCDTRJT-UHFFFAOYSA-N 433.584 4.086 5 20 IIBD CCOc1ccc(C(=O)OCC(=O)N[C@@H](c2ccccc2)C2CCCC2)cc1[N+](=O)[O-] 918994975 VFJTYPQPDXFCSU-QFIPXVFZSA-N 426.469 4.198 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)o2)c(Cl)c1 1117160699 GGHRQXQGFOTWAL-UHFFFAOYSA-N 448.888 4.140 5 20 IIBD CN(C(=O)/C=C/c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1323317523 OSIDBRUFMLFKFC-GORDUTHDSA-N 449.699 4.416 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@H]3CC=CCC3)CCC2)cc1)c1ccc(O)c([N+](=O)[O-])c1 1790618589 BHYBDIIVVUJVPJ-INIZCTEOSA-N 435.480 4.404 5 20 IIBD O=C(Nc1ccc(C2(NC(=O)[C@H]3C[C@]3(F)Cl)CCC2)cc1)c1cc(F)cc([N+](=O)[O-])c1 1790699486 ROBXGGUSKNXKQL-DYESRHJHSA-N 449.841 4.406 5 20 IIBD CO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3C)CCC2)cc1 1791633221 WDMIRMDWLPDOKC-CQSZACIVSA-N 445.903 4.339 5 20 IIBD O=C(NC1(c2ccc(NC(=O)[C@@H]3C[C@]3(F)Cl)cc2)CCC1)c1cccc(F)c1[N+](=O)[O-] 1791676304 DIAQGMHIGWOWDY-YCRPNKLZSA-N 449.841 4.406 5 20 IIBD Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C3)c(Cl)c1 1803628838 INDCMBAGWREMPA-QDMKHBRRSA-N 445.878 4.261 5 20 IIBD O=C(CCC1CCC1)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)[nH]n1 1815051925 YRNRUNKJAWCYOD-LJQANCHMSA-N 443.479 4.343 5 20 IIBD Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)c1F 1823608908 QXWGGTSZPCWPTC-GOSISDBHSA-N 443.475 4.182 5 20 IIBD CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 1831061730 XXKUXWYMLRHWHB-SFHVURJKSA-N 429.542 4.453 5 20 IIBD CC[C@H](C)[C@@H](C(=O)N1CCCC12CN(C(=O)Cc1cccc([N+](=O)[O-])c1)C2)c1ccccc1 1842670900 DHJCFMUINMZVLJ-YADARESESA-N 449.551 4.171 5 20 IIBD C[C@H](OC(=O)c1cc(Br)ccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 3467309 PJHPTOBDWMWBLA-VIFPVBQESA-N 427.638 4.195 5 20 IIBD CC(C)N(Cc1ccccc1)C(=O)COC(=O)Cn1c2ccccc2c(=O)c2ccccc21 11276860 AEVZWQQKJNKQRS-UHFFFAOYSA-N 442.515 4.135 5 20 IIBD CCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OCC 11341655 BVPYDVNLHHFXAP-GFCCVEGCSA-N 436.848 4.230 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cccc(NC(=O)OC(C)(C)C)c1 18026208 KENJBMZTLRAQLN-UHFFFAOYSA-N 429.429 4.046 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)cccc1[N+](=O)[O-] 21373789 RYCSNQFXAOWXMA-ZETCQYMHSA-N 447.662 4.025 5 20 IIBD C[C@@H](OC(=O)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 22445042 IURSHFFUGQRAGJ-CQSZACIVSA-N 426.425 4.210 5 20 IIBD O=C(COC(=O)c1cc(C2CC2)nn1-c1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl 23085039 DEUYIYUXRZHUDO-UHFFFAOYSA-N 440.843 4.107 5 20 IIBD COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)Cc1ccccc1[N+](=O)[O-])CC2 24445150 KWSNKAQWAOUNTD-HSZRJFAPSA-N 438.505 4.390 5 20 IIBD O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C/c1cc(Cl)c2c(c1)OCCCO2 26804579 WPBZVORCHWVSIK-VGOFMYFVSA-N 435.219 4.407 5 20 IIBD Cc1nc(-c2ccc([C@@H](C)NC(=O)NCCNc3ccc([N+](=O)[O-])cc3)cc2)cs1 27365829 PSWUCSIKKLNLBE-CQSZACIVSA-N 425.514 4.499 5 20 IIBD CCOc1c(Cl)cc(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1OC 59781224 JSTBTIXEFYPEBX-UHFFFAOYSA-N 447.919 4.188 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccc(COCC(F)(F)F)cc1 64418917 MJTBZHKOYLEACF-GFCCVEGCSA-N 446.809 4.411 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(S(=O)(=O)C2CCCC2)cc1 64916871 OJAOZPGAQAXRFT-UHFFFAOYSA-N 440.424 4.165 5 20 IIBD Cc1cc(NC(=O)CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1Br 116325252 AAJKHGLQFUYAAP-UHFFFAOYSA-N 448.298 4.249 5 20 IIBD C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 117514975 VABXMQHJXGTOIN-CALCHBBNSA-N 425.485 4.121 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NCCOC2CCCC2)c([N+](=O)[O-])c1 195668813 OAKWYRFFKGGTRR-UHFFFAOYSA-N 433.530 4.181 5 20 IIBD CNC(=O)c1ccc(NCC2(c3ccc(Cl)cc3Cl)CCOCC2)c([N+](=O)[O-])c1 301064075 CTQUWTMKGXTZFZ-UHFFFAOYSA-N 438.311 4.422 5 20 IIBD O=[N+]([O-])c1cc(Br)ccc1N1CCC(c2nc(-c3ccccn3)no2)CC1 301183257 NXMWBVKLUKAPIT-UHFFFAOYSA-N 430.262 4.186 5 20 IIBD O=[N+]([O-])c1ccc(Nc2cccc(CS(=O)(=O)Cc3ccccc3)c2)c([N+](=O)[O-])c1 301318791 QCFWRNOJSCBGEQ-UHFFFAOYSA-N 427.438 4.362 5 20 IIBD CCn1c(Sc2ccc3nnc(-c4ccccc4)n3n2)nnc1-c1ccc([N+](=O)[O-])cc1 301731591 XXJKSJCXGJYRMI-UHFFFAOYSA-N 444.480 4.129 5 20 IIBD COCc1cc(Oc2cc([N+](=O)[O-])ccc2I)nc(C(C)(C)C)n1 302561190 ULGWERPBPIIYLE-UHFFFAOYSA-N 443.241 4.226 5 20 IIBD COc1ccccc1OC[C@@H](C)CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 425982574 RNFGJFWEYSYALN-ZDUSSCGKSA-N 441.406 4.137 5 20 IIBD C[C@@H]1CCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])[C@@H](C(N)=O)C1 428623181 OOLJTEWYRGFCPT-MLGOLLRUSA-N 433.917 4.125 5 20 IIBD CNC(=O)c1cc(Oc2ccccc2NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccn1 428867051 ZVTGLHRTSPIGRD-HNNXBMFYSA-N 449.467 4.333 5 20 IIBD COc1cc(OCC(=O)N2CCC[C@H]2c2ccc(Br)c(C)c2)ccc1[N+](=O)[O-] 431132575 MRCLTPJVVWIYAK-KRWDZBQOSA-N 449.301 4.417 5 20 IIBD COc1cc(Cl)c(C(=O)COc2c(Br)cccc2[N+](=O)[O-])cc1OC 431251869 WIRLPHLVABJUSK-UHFFFAOYSA-N 430.638 4.290 5 20 IIBD C[C@H]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 438171895 FOWHVRIYKKYTOQ-XOBRGWDASA-N 449.429 4.343 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cc2c(cc1Cl)OCCO2 438813409 XJWPWNIEIKNUQC-UHFFFAOYSA-N 439.660 4.127 5 20 IIBD CC(C)c1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1[N+](=O)[O-] 439409951 KBKSKFPJMVKHEC-OAHLLOKOSA-N 430.892 4.258 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](CC(=O)OC)c1ccc(SC)cc1 439883962 QYBFLJVCTNBEQV-MRXNPFEDSA-N 433.486 4.141 5 20 IIBD C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 440707828 YQSFIGAPKBXDHU-CQSZACIVSA-N 433.306 4.268 5 20 IIBD CCOc1ccc(-c2nc(C)c(C(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)s2)cc1 444634960 JCTMIUJMEIPAOF-UHFFFAOYSA-N 437.481 4.232 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(Br)c(F)c1 462558551 WYCKOKORBMRUGB-UHFFFAOYSA-N 431.283 4.096 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCS(=O)(=O)c1ccc(C(C)(C)C)cc1 463971972 DBXDVXSVRINSGT-UHFFFAOYSA-N 433.530 4.105 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1S(=O)(=O)C1CCCC1 464570175 OLMFDFWPEQBIMQ-AWEZNQCLSA-N 434.539 4.430 5 20 IIBD CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] 465617983 FHJVCQPJTHWWEN-IBGZPJMESA-N 429.517 4.126 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 468177831 LXHNSQXYUIHVGM-LEWJYISDSA-N 433.512 4.002 5 20 IIBD O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCOCc2ccccc21 470630519 AKPVVOIVXLSYSP-UHFFFAOYSA-N 449.429 4.393 5 20 IIBD C[C@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1cncs1 473162554 GPQOJFBKYCUUMT-HNNXBMFYSA-N 433.493 4.324 5 20 IIBD COc1ccc(-c2csc(CNC(=O)COc3ccc([N+](=O)[O-])c(OC)c3)c2)cc1 473455863 FMFWADSMQMHMOA-UHFFFAOYSA-N 428.466 4.036 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCNC(C)(C)c1ccc(OC(F)(F)F)cc1 475699357 GUXUJHKXQNXSMN-UHFFFAOYSA-N 441.406 4.356 5 20 IIBD CCS[C@@H](C)c1noc(CN(C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)n1 483006242 AJAHPAMCXRKXME-VIFPVBQESA-N 431.421 4.057 5 20 IIBD COc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1OC(F)F 483856195 MAHVNKWFOCOUFR-UHFFFAOYSA-N 432.326 4.078 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC1CCN(CC(F)(F)F)CC1 484035732 CVVUWSPVRDQZCW-UHFFFAOYSA-N 430.471 4.179 5 20 IIBD Cc1nc2sccn2c1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 484797768 YEXOHJHFLZWZTK-UHFFFAOYSA-N 435.509 4.497 5 20 IIBD O=C(N[C@@H](C(=O)O)c1ccc(Br)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 485211663 OCHDTFHTEADSGU-OAHLLOKOSA-N 435.255 4.128 5 20 IIBD O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccc(C(=O)NCc2ccccc2F)cc1 486010985 BMRWEDFRSDEBLZ-UHFFFAOYSA-N 439.468 4.395 5 20 IIBD O=C(NCCCN1CCCCCC1=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 486430368 FEFHHVPDEXGJRI-UHFFFAOYSA-N 427.526 4.269 5 20 IIBD CC(C)(C)[C@H](COc1ccccc1F)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 486442905 COHWHDSJEGFBOO-FQEVSTJZSA-N 426.448 4.143 5 20 IIBD C[C@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccncc2)cs1 488224285 VJJKRRZAISMTAC-ZDUSSCGKSA-N 434.481 4.005 5 20 IIBD Cc1nc2[nH]c(SCCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc2cc1Br 489791784 PXFAAAVHLYAEIV-UHFFFAOYSA-N 436.291 4.058 5 20 IIBD CCn1c([C@H]2CCCN2S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)nc2ccccc21 493005115 RDKKSEMAMQRCPL-GOSISDBHSA-N 428.514 4.107 5 20 IIBD Cc1cccc([C@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C(C)(C)C)c1 493986292 URJFLFMZGJXTKR-KRWDZBQOSA-N 435.427 4.347 5 20 IIBD CCOc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C(F)(F)F)c1 494080540 TWKKYCFDXIVLNI-GFCCVEGCSA-N 439.390 4.137 5 20 IIBD COc1cc(CNS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])ccc1OC1CCCC1 497794826 YNZSAEOZZFTTHS-UHFFFAOYSA-N 434.514 4.020 5 20 IIBD COc1cc(Br)c(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1OC 499632555 DVHAQVKVBSBVDL-UHFFFAOYSA-N 432.230 4.175 5 20 IIBD COc1ccc(S(=O)(=O)N(Cc2ccccn2)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 500502972 YGSIMJRMBGNKOY-UHFFFAOYSA-N 433.873 4.047 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CN1CCOC[C@@H]1c1c(C)nn(-c2ccccc2F)c1C 502333758 CAKNHOVQNKPKJM-OAQYLSRUSA-N 440.475 4.119 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 502404852 IAWSDHRWAIWPGO-IUODEOHRSA-N 438.839 4.351 5 20 IIBD O=C(CCc1cccc(F)c1F)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 504381798 KTNNIUYLHJVGOS-UHFFFAOYSA-N 443.372 4.173 5 20 IIBD COc1ccc([C@@H](NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C(F)(F)F)cc1 505405262 XFNDBXMACCQVRX-MGPLVRAMSA-N 432.782 4.444 5 20 IIBD COc1cc(CCNC(=O)N[C@@]2(c3ccc(Cl)cc3)C[C@@H]2C)c([N+](=O)[O-])cc1OC 507063291 OQOYCKPJKKMWFY-ZSEKCTLFSA-N 433.892 4.042 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 510457927 IEOBRKRIZXTTLZ-IAGOWNOFSA-N 428.432 4.369 5 20 IIBD Cc1ccc(Sc2ccc(C(=O)N[C@@H]3CCC[C@H](C(=O)N(C)C)C3)cc2[N+](=O)[O-])cc1 513360155 YVORIDPHJAVUPQ-ZWKOTPCHSA-N 441.553 4.431 5 20 IIBD CCCOc1cc(NC(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)c([N+](=O)[O-])cc1OCCC 515081587 LCQJQGCFYDJUIK-IRXDYDNUSA-N 434.537 4.263 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1ccc(CCN2CCCCC2)cc1 515736693 PXGJWJVZKHTBIB-QGZVFWFLSA-N 426.517 4.071 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)NCc1ccccc1CN1CCCC[C@@H]1C 515755398 HHUKNRPUSDDCSY-ROUUACIJSA-N 440.544 4.095 5 20 IIBD COc1cc([C@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)ccc1OCc1ccccc1 516532573 BGBHJIHZJKMKRN-AWEZNQCLSA-N 439.443 4.395 5 20 IIBD Cc1ccc2nc([C@@H]3CCCN3S(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)[nH]c2c1 519930636 ZQWPOIPPUUZSDV-KRWDZBQOSA-N 434.905 4.267 5 20 IIBD COc1ccc(CN(C)C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1OC(F)F 520388794 FTDRNLDGDYOSGH-NSHDSACASA-N 444.818 4.284 5 20 IIBD Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)CCOc1ccccc1[N+](=O)[O-] 520678807 POMRGAIMCHYKFT-KRWDZBQOSA-N 425.485 4.325 5 20 IIBD CC(C)(C(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)n1cc([N+](=O)[O-])cn1 522483498 PPPMCMXRZXBOED-UHFFFAOYSA-N 439.419 4.231 5 20 IIBD C[C@@H](NC(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1)c1cccc([N+](=O)[O-])c1 523523639 PTLYAZIENAHWER-HUUCEWRRSA-N 447.333 4.244 5 20 IIBD COCCCn1c(C)cc(C(=O)COc2ccc(Br)cc2[N+](=O)[O-])c1C 525112070 HXRHVZMUHDDWSI-UHFFFAOYSA-N 425.279 4.074 5 20 IIBD CCOc1cc(CNCC2(C)CC2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 530967470 RIOJLOWMCSHUKT-UHFFFAOYSA-N 428.485 4.329 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1 531980439 WXWSCIPQGXHWQY-MRXNPFEDSA-N 441.509 4.345 5 20 IIBD COc1ccc(NC(=O)CCN2CCC(Oc3ccccc3Cl)CC2)c([N+](=O)[O-])c1 533148124 SPDSRIZWCGKMOE-UHFFFAOYSA-N 433.892 4.129 5 20 IIBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)c1ccc([S@@](C)=O)cc1 535204183 BUNUMLFOKHYFDB-AZYRPFHASA-N 437.521 4.435 5 20 IIBD COc1ccccc1[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccccn1 535556802 PNCCUPMNSAHWOG-SZNDQCEHSA-N 441.871 4.325 5 20 IIBD Cc1ccc2nc([C@H]3CCCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4Cl)C3)[nH]c2c1 537163034 UHEHUQCGDSBMHL-ZDUSSCGKSA-N 434.905 4.001 5 20 IIBD COc1ccc2ccccc2c1-c1cc(Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)on1 538658615 CQYFJQBUPYXCOE-UHFFFAOYSA-N 428.404 4.170 5 20 IIBD CC(C)CN(C(=O)c1cnc2c(cnn2C)c1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 540455255 ZNAROOSYPYLJED-UHFFFAOYSA-N 436.497 4.303 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)c1 540620366 QCOMXEHBZJEENI-UUOWRZLLSA-N 442.512 4.114 5 20 IIBD Cc1csc([C@H](C)CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1 541753048 FBQUUYJFQGDWLL-UKRRQHHQSA-N 425.514 4.461 5 20 IIBD CO[C@@H](C)c1nc(Cc2noc(-c3cc(Br)cc([N+](=O)[O-])c3)n2)cs1 545823245 PNMKYYUOMAWJAN-QMMMGPOBSA-N 425.264 4.162 5 20 IIBD Cc1cc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)ccc1-c1ccncc1 550693687 PWSZMCUEAHYQRK-UHFFFAOYSA-N 430.464 4.095 5 20 IIBD O=C(N[C@@H]1CCCC[C@@H]1Cc1ccccc1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 553444270 YOSBULPWPVEHDD-DENIHFKCSA-N 435.524 4.004 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H](c2ccccc2)c2c[nH]c3ccccc23)cc1 554720338 NWCDTXCPLWBPLT-JOCHJYFZSA-N 449.532 4.272 5 20 IIBD COc1ccc(CN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C2CC2)c(OC)c1 556974685 ZFIDOUDJMXAIKG-HNNXBMFYSA-N 443.500 4.131 5 20 IIBD Cc1cc(C(=O)NCC(=O)Nc2ccccc2N[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] 559250872 ZJNQLKWPCGNHKT-QGZVFWFLSA-N 432.480 4.445 5 20 IIBD CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)c1 564480638 YXHLIQDEIDESRP-GOSISDBHSA-N 441.553 4.060 5 20 IIBD Cc1c(CSC(C)C)cccc1NC(=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 566549738 MFUBXGZTFGECAB-UHFFFAOYSA-N 429.542 4.184 5 20 IIBD Nc1c(C(=O)N2CCc3nc(-c4ccccc4Cl)sc3C2)cc(F)cc1[N+](=O)[O-] 569497192 IADKEOZPGLKWOX-UHFFFAOYSA-N 432.864 4.292 5 20 IIBD Cc1ccc2oc(SCc3cc(I)cc([N+](=O)[O-])c3)nc2n1 569510692 ONSBRLCGIGBHBJ-UHFFFAOYSA-N 427.223 4.336 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(-c2cn(Cc3ccccc3)nn2)no1 576263783 SBXLXHJOOYFNCI-UHFFFAOYSA-N 441.245 4.023 5 20 IIBD CCC[C@]1(CO)CCN(C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 579299410 WTDCCTGLFCWYKZ-QHCPKHFHSA-N 442.537 4.172 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1 590550163 NLLSFWVQLHQTDO-UHFFFAOYSA-N 445.522 4.004 5 20 IIBD CCOc1ccc(NC(=O)CSc2nnc(C[C@H](C)c3ccccc3)o2)c([N+](=O)[O-])c1 594639232 VGSPSPUZPFIDPY-AWEZNQCLSA-N 442.497 4.454 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 603642399 KEVRIZUJPLASOM-UHFFFAOYSA-N 445.273 4.437 5 20 IIBD CC(=O)Nc1cccc(NC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c1C 603654593 DTHZITKCCLCQBK-LJQANCHMSA-N 442.472 4.066 5 20 IIBD Cc1nc2ccc(NC(=O)N[C@@H](CC(=O)OC(C)C)c3ccccc3[N+](=O)[O-])cc2o1 603654769 IJZWHIBELCXIEQ-KRWDZBQOSA-N 426.429 4.249 5 20 IIBD O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(I)cc1Cl 603960422 CHSOUCRJCCSPAV-UHFFFAOYSA-N 446.628 4.260 5 20 IIBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)CCCc2cc(-c3ccc(F)cc3)no2)cc1C 608781678 UYXGVIXTABXMBT-UHFFFAOYSA-N 447.488 4.259 5 20 IIBD COc1ccc(CC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] 609010489 FDQIDZKLNJOJLG-GDNZZTSVSA-N 428.329 4.172 5 20 IIBD CC[C@H](C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1C)C(=O)Nc1cccc(N2CCCC2)c1 609028691 CCILPLNSSLJKSQ-KSFYIVLOSA-N 438.528 4.287 5 20 IIBD O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1cnc(-c2ccccc2Cl)s1 609135824 VHMJNACBPQYKPU-UHFFFAOYSA-N 426.845 4.409 5 20 IIBD CC[C@@H](C)[C@H](NCc1ccc(OC)c([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 609288339 ZOIOZSAJXRDNJF-HXOBKFHXSA-N 440.544 4.347 5 20 IIBD C[C@H](Nc1ccc(C(=O)N(C)Cc2nc3ccccc3n2C)cc1[N+](=O)[O-])c1ccccn1 609493660 YKJVNVKAZMYRMB-INIZCTEOSA-N 444.495 4.322 5 20 IIBD O=C(NCc1nc[nH]n1)c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2 609526212 JDAYIAFSRHVTEW-FOWTUZBSSA-N 440.463 4.068 5 20 IIBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 609841825 QWKTWBWVNAGCGE-OAHLLOKOSA-N 448.936 4.167 5 20 IIBD COc1ccc(CSCC(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)cc1[N+](=O)[O-] 610068640 QLEBVCRISGMARU-CQSZACIVSA-N 427.482 4.369 5 20 IIBD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1Cc2cccc(Br)c2C1 613689692 UIDKFMGJRPIYGP-UHFFFAOYSA-N 426.064 4.276 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3ccc(-c4ccco4)s3)CC2)ccc1[N+](=O)[O-] 619450599 QRSLQJDCFNOGIF-UHFFFAOYSA-N 427.482 4.277 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CCc1ccccc1)Cc1ccccc1 619473054 ZAVIXZBDDLSBHO-UHFFFAOYSA-N 426.494 4.037 5 20 IIBD O=C(NCCN1CCCc2ccccc21)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 681961197 IHKMWXMHVTZJBC-UHFFFAOYSA-N 433.458 4.142 5 20 IIBD COc1cc(-n2cccc2)c(Cl)cc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C 725946232 UNPLWLODCPWBKQ-UHFFFAOYSA-N 443.843 4.151 5 20 IIBD O=C(NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1cc2cc([N+](=O)[O-])ccc2o1 728965102 PHXSEFMCDMZLAZ-KRWDZBQOSA-N 428.750 4.174 5 20 IIBD CN(C[C@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1)C(=O)OC(C)(C)C 729396405 VMASGJLYFBVBSE-CQSZACIVSA-N 446.529 4.047 5 20 IIBD CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 730453319 YYHXVEUYQUPWAZ-LBPRGKRZSA-N 426.491 4.037 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@H](c1ccc(Br)cc1)C(F)(F)F 731146985 NDUHUPLXIUOEJA-CQSZACIVSA-N 436.184 4.099 5 20 IIBD Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1NC(=O)C(C)(C)C 732047802 FMKKRSWYZNIVLZ-UHFFFAOYSA-N 425.894 4.342 5 20 IIBD O=[N+]([O-])c1cc(CNC2CCN(C[C@H]3CCCO3)CC2)ccc1Oc1ccc(F)cc1 733330541 ACQIPAQFHLERAD-OAQYLSRUSA-N 429.492 4.259 5 20 IIBD Cc1c(C(=O)NCC2(c3cccc(Br)c3)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 734343435 GGZBUVYKRFXDMC-UHFFFAOYSA-N 448.273 4.344 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl 735468144 HYFUKNSOBZEKGD-SUMWQHHRSA-N 425.913 4.085 5 20 IIBD CCCCOCCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)c1cccc(Br)c1 736172008 YHHHSGZAFAKWDK-UHFFFAOYSA-N 436.306 4.403 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)OC[C@@H]1CCC(=O)N(C)[C@H]1c1cccc(Cl)c1 740606544 WOILSBQAPWPPSG-XOBRGWDASA-N 432.860 4.023 5 20 IIBD C[C@H](OC(=O)CCCc1ccccn1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 741335871 CBVWBQIYVUFMSZ-AWEZNQCLSA-N 440.481 4.006 5 20 IIBD Cc1cc2c(cc1C)O[C@H](C(=O)Oc1ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc1)C2 742497112 OWIYTQXFTDTWLH-QFIPXVFZSA-N 432.432 4.373 5 20 IIBD CCOC(=O)c1nc(-c2ccccc2)oc1COC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 744825142 FFIATJHYBYNYLP-UHFFFAOYSA-N 435.392 4.265 5 20 IIBD C[C@H](OC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1nc(Cc2ccc(Cl)cc2)no1 744882790 WQFAKIXJKPWUGC-ZDUSSCGKSA-N 440.843 4.481 5 20 IIBD CCn1c(SCC(=O)OCc2ccc([N+](=O)[O-])cc2F)nnc1-c1cccc(C)c1 746912005 SSWPYOCIWKPSJR-UHFFFAOYSA-N 430.461 4.156 5 20 IIBD COc1ccc(NC(=O)COC(=O)c2cc(C3CC3)nc3ccc(C)cc23)c([N+](=O)[O-])c1 747048548 LPXRWEZNIGATHG-UHFFFAOYSA-N 435.436 4.133 5 20 IIBD Cc1c(C(=O)N2CCCC[C@H]2c2nc3ccccc3n2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748625568 FYZBYIZUHANRPP-SFHVURJKSA-N 437.456 4.374 5 20 IIBD C[C@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 750400895 QAHUQCMZVOTZPO-UGSOOPFHSA-N 447.285 4.266 5 20 IIBD CC(C)(C)OC(=O)NCCc1ccc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 751229526 WTXNPJPYSDZXHM-UHFFFAOYSA-N 433.892 4.245 5 20 IIBD O=C(Nc1nc2ccc(F)cn2n1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 754625183 NJKIQRHRDHNLEQ-UHFFFAOYSA-N 440.822 4.294 5 20 IIBD C[C@H](OC(=O)Cc1cc(Cl)cc2c1OCC2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 755093007 QIRAJELIRAXDNO-NSHDSACASA-N 429.816 4.080 5 20 IIBD O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1cc(F)c([N+](=O)[O-])cc1F 755374851 LKTNVMFHEASWMH-UHFFFAOYSA-N 425.391 4.098 5 20 IIBD C[C@H](O)CCNCc1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1 758482719 OGSZXGFAWJNRNB-NSHDSACASA-N 434.499 4.124 5 20 IIBD O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1CCC(Oc2cccc(Br)c2)CC1 759288203 SYDOMDNRCFKSHC-UHFFFAOYSA-N 441.228 4.319 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N(Cc1ccccc1)C[C@H](O)c1cccs1 759332065 CKVVMBWAEWDXPF-NRFANRHFSA-N 435.505 4.443 5 20 IIBD Cc1ccc(N2CCN(C(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)CC2)cc1C 759878884 MJQLFNJHSSHSBF-UHFFFAOYSA-N 447.539 4.036 5 20 IIBD CC(C)(C)OC(=O)N[C@@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 759990703 BEVXDHVYQCHJRX-GOSISDBHSA-N 433.892 4.173 5 20 IIBD Cc1oc(-c2ccccc2)nc1Cc1noc(CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 761503604 BPQJIVPTKKCQKY-UHFFFAOYSA-N 435.396 4.225 5 20 IIBD O=C(NCc1nc(C2CC2)no1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 764025327 IHNCDOUDIOTARA-UHFFFAOYSA-N 427.848 4.051 5 20 IIBD CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c1 764142976 PRXGVGGFSWUTMI-UHFFFAOYSA-N 445.884 4.326 5 20 IIBD COc1cccc(C(=O)OCc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)c1[N+](=O)[O-] 766895033 HWYYANHHLADUBY-UHFFFAOYSA-N 441.461 4.102 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1cnc(-c2ccccc2)s1 768281565 AYQUXMCJGPKNRN-UHFFFAOYSA-N 440.300 4.282 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)[C@@H](O)c1ccccc1 768640799 QGPIZWNRFIAEJF-VQTJNVASSA-N 440.839 4.205 5 20 IIBD O=C(OCc1coc(-c2ccc(Cl)cc2)n1)c1cc(Br)ncc1[N+](=O)[O-] 769834658 RGKWXOIHUJZWFL-UHFFFAOYSA-N 438.621 4.418 5 20 IIBD CCCN(C(=O)c1ccccc1NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)C(C)C 771527887 QKEUCRSKYDTMGX-UHFFFAOYSA-N 428.489 4.056 5 20 IIBD COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1c(C)ccc([N+](=O)[O-])c1C 773381704 QECLHXJYQNYHLI-UHFFFAOYSA-N 449.710 4.437 5 20 IIBD Cc1ccc([C@H](O)c2ccccn2)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 773621127 KWOSDXHVJLQXOW-QHCPKHFHSA-N 432.480 4.232 5 20 IIBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C 775084383 DYTTWBDJJSBRMG-UHFFFAOYSA-N 433.442 4.107 5 20 IIBD COCCCn1c(SC[C@@H](O)c2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1Cl 776271942 PEKBTFOUAXRREP-GOSISDBHSA-N 448.932 4.369 5 20 IIBD C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F 777123130 NVQUXFUNZSNOEU-KZULUSFZSA-N 445.825 4.005 5 20 IIBD Cc1c(Br)ccc(N)c1C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 778345774 HSBHKPMSEPXYAQ-JTQLQIEISA-N 447.245 4.216 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)C[C@](C)(O)c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 778348614 YMAZGQCNXVPAFR-ZCYQVOJMSA-N 448.475 4.424 5 20 IIBD Cc1cc(F)c2nc(O)cc(C(=O)O[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2c1 778874588 SFCOHSJKNJEJTJ-JTQLQIEISA-N 447.806 4.134 5 20 IIBD Cc1cc(N2C[C@@H](C(=O)O[C@H](c3cccnc3)c3ccccc3[N+](=O)[O-])CC2=O)ccc1F 780033089 RONWYXPVPFZCOA-GAJHUEQPSA-N 449.438 4.123 5 20 IIBD Cc1c(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cnn1C1CCCCC1 781304753 DNOITCYRMSITIJ-ZDUSSCGKSA-N 434.880 4.442 5 20 IIBD CC1CCN([C@@H](CNC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2cccs2)CC1 781566980 ICTBPPDANRUVGZ-IBGZPJMESA-N 446.529 4.087 5 20 IIBD CC[C@@H]1C[C@H](CC(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCO1 781763788 JRKVRADEDZROLY-CKEIUWERSA-N 447.513 4.184 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 784485871 MEAXKMUADMNJFG-OAHLLOKOSA-N 437.418 4.440 5 20 IIBD COCN1C(=O)CCc2cc(NC(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)ccc21 787943008 XLNKVQSUKMZSNY-UHFFFAOYSA-N 446.463 4.474 5 20 IIBD CC(C)(C)c1cnc(COC(=O)c2ccc([N+](=O)[O-])cc2I)s1 790885332 JQFCFNJIDRCNEI-UHFFFAOYSA-N 446.266 4.310 5 20 IIBD O=C(Cc1cccc(C(F)F)c1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791175044 SOHIRSJSTPYILW-UHFFFAOYSA-N 425.229 4.422 5 20 IIBD CN(C)c1cc(F)c(C(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1[N+](=O)[O-] 791219494 AGRDIMFBCNWTOW-SFHVURJKSA-N 441.381 4.032 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 791566205 MLYSRKMQOCZFOE-UHFFFAOYSA-N 431.404 4.046 5 20 IIBD O=C(OCc1ccccc1)[C@H]1CCCCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 792603171 WCUQELYHDAPSAC-XMMPIXPASA-N 440.499 4.419 5 20 IIBD Cc1cccc(CC2(O)CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)CC2)c1 794132917 XFCFMISMJHUZSZ-UHFFFAOYSA-N 437.540 4.103 5 20 IIBD CCOC(=O)/C(=C\c1ccc2ccc(Br)cc2n1)c1ccc([N+](=O)[O-])cn1 794948136 CUUIYCMBESREFS-YBEGLDIGSA-N 428.242 4.404 5 20 IIBD O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)N1CC2(CCC2)c2ccccc21 795351280 BLXQUHGRRKMJLW-UHFFFAOYSA-N 441.278 4.127 5 20 IIBD COc1ccccc1[C@H]1CCCN1CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O 795427846 QOHCWFIPDQUGJD-QGZVFWFLSA-N 446.301 4.116 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)OCC(=O)c2cccc(Cl)c2Cl)cc1OC 801812614 JCCCHGKYEVXGDW-UHFFFAOYSA-N 428.224 4.349 5 20 IIBD O=C(C[C@H](O)c1ccc(Cl)cc1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 803545703 LXVGTJAXROIBJL-KRWDZBQOSA-N 439.693 4.019 5 20 IIBD O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cn2c(Br)cnc2s1 815954156 UEOZNALCHAGKIR-UHFFFAOYSA-N 449.242 4.079 5 20 IIBD CCCN(C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)[C@H](C)c1ccccc1OC 914507500 DZYFZWMCUWKIJK-CVEARBPZSA-N 443.475 4.095 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 915250368 RUDVHMSMBVNNIU-HZPDHXFCSA-N 442.468 4.057 5 20 IIBD O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C/C1=Cc2cc(Br)ccc2OC1 915272367 WWWXUCBAEBLEIJ-FRKPEAEDSA-N 427.210 4.021 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(NCc2cccc(NC(=O)c3ccccc3)c2)c1[N+](=O)[O-] 917066684 OJHBSENXNAIBCK-UHFFFAOYSA-N 436.424 4.168 5 20 IIBD CCc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 917258454 UCKRVCGWGKCRFT-LBPRGKRZSA-N 440.374 4.282 5 20 IIBD Cc1ccc(NC(=O)[C@@H](OC(=O)c2cccc3c2OCO3)c2ccccc2)c([N+](=O)[O-])c1 919475796 JDQZAQIWAFIOAN-FQEVSTJZSA-N 434.404 4.169 5 20 IIBD C[C@H](OC(=O)c1cnc(-c2ccccc2F)s1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 920697887 AKEZEBVVJFTPFL-JTQLQIEISA-N 433.392 4.181 5 20 IIBD COc1cc(CCNC(=O)c2nc(-c3ccccc3)oc2C2CC2)c([N+](=O)[O-])cc1OC 1317971195 JEXHDJKNQLWRQY-UHFFFAOYSA-N 437.452 4.117 5 20 IIBD COc1cc(Br)c(OC)c(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 1321566355 QJNSBUZWGPFIBW-UHFFFAOYSA-N 443.681 4.300 5 20 IIBD O=c1c2ccccc2c(-c2nnc(-c3cccc([N+](=O)[O-])c3)o2)nn1Cc1ccccc1 1323792803 CINUOXPXZHNROT-UHFFFAOYSA-N 425.404 4.070 5 20 IIBD CCCCC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3n[nH]cc3[N+](=O)[O-])CCC2)cc1 1791314038 IHQICGDGOJSWCI-HNNXBMFYSA-N 427.505 4.282 5 20 IIBD O=C(CC1CCC1)Nc1ccc(C2(NC(=O)c3cc([N+](=O)[O-])cc4c3OCC4)CCC2)cc1 1792271289 JXYFVQMBGBLVQZ-UHFFFAOYSA-N 449.507 4.468 5 20 IIBD Cc1cc(CCCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/C(C)C)C3)c([N+](=O)[O-])cc1F 1793405030 HFDGMRGRMAHAOF-AXBYMPLYSA-N 445.535 4.215 5 20 IIBD Cc1c(C(=O)N2CCC3(CCCN(C(=O)c4ccco4)C3)CC2)cc(Cl)cc1[N+](=O)[O-] 1808062467 LURUTZOSIPCPCM-UHFFFAOYSA-N 445.903 4.308 5 20 IIBD CC/C=C(\C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])[C@H]1c1cccnc1 1813708783 WZJMJWCLFKWOTD-IESRTUPGSA-N 448.523 4.065 5 20 IIBD CC1(C)CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)C1 1830498157 UOEHWQDPMKBEFL-NRFANRHFSA-N 445.535 4.403 5 20 IIBD C/C=C(/C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1831352544 LCINJORAFNWUJL-RYHUTXLLSA-N 425.529 4.194 5 20 IIBD CC[C@@H](C)[C@H](C(=O)N1CC2(CCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)C1)c1ccccc1 1841002914 NUISJMLUNZYFOE-DVECYGJZSA-N 449.551 4.171 5 20 IIBD O=C(COC(=O)c1nc(Cl)ccc1Cl)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9646791 NZYKEJNWZOJFLZ-UHFFFAOYSA-N 438.145 4.111 5 20 IIBD CCNC(=O)c1cccc(NC(=O)CNc2cc([N+](=O)[O-])ccc2Nc2ccccc2)c1 10173848 AAZDJCOOFHKOER-UHFFFAOYSA-N 433.468 4.139 5 20 IIBD O=C(OCc1cc(=O)oc2cc3c(cc12)CCC3)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 15276006 CABKBPDNWWPWCJ-UHFFFAOYSA-N 434.448 4.147 5 20 IIBD NC(=O)c1ccc(COC(=O)c2cc(-c3cccs3)nc3ccccc23)c([N+](=O)[O-])c1 16817259 RUDWFOALOIBWSX-UHFFFAOYSA-N 433.445 4.327 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Sc2nc(Cc3ccccc3)c(C)[nH]2)c([N+](=O)[O-])c1 16833352 DFRRCQRVPAAQJB-CQSZACIVSA-N 426.498 4.345 5 20 IIBD CSc1ccc(C(=O)N2CCN([C@@H](C)c3nc4ccccc4s3)CC2)cc1[N+](=O)[O-] 23920693 BBAMYLJYBAWDAK-AWEZNQCLSA-N 442.566 4.445 5 20 IIBD COc1ccc([N+](=O)[O-])cc1COC(=O)c1ccccc1C(=O)N(C)Cc1ccccc1 24221455 KCNPYUDJKNTAET-UHFFFAOYSA-N 434.448 4.233 5 20 IIBD CCc1ccc(-c2csc(NC(=O)c3nnn(-c4cccc([N+](=O)[O-])c4)c3C)n2)s1 24496070 NATQPFOGAVOWTJ-UHFFFAOYSA-N 440.510 4.484 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(COc2cccc(F)c2)c1 31398927 HDRTZKSSXAQXOH-UHFFFAOYSA-N 437.427 4.072 5 20 IIBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)Cn1c(COc2ccccc2)nc2ccccc21 31930802 QQORYWNARAEVQZ-UHFFFAOYSA-N 430.464 4.182 5 20 IIBD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C 33232711 KGNMJDILBPECTB-FZKQIMNGSA-N 430.917 4.368 5 20 IIBD NC(=O)c1ccc(SCC(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)c([N+](=O)[O-])c1 78507925 MAWFLONSGPLWLU-IBGZPJMESA-N 433.917 4.097 5 20 IIBD COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3csc([N+](=O)[O-])c3)ccc2C)cc1 117275184 KGBQADFYVIYVHH-UHFFFAOYSA-N 447.494 4.026 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC1(c2nccs2)CCCC1 303743551 ZAAVFBHRMYJNOW-UHFFFAOYSA-N 428.436 4.458 5 20 IIBD Cc1csc(-c2cccc(S(=O)(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)c2)n1 409511967 XSBJFJLJIRUCKR-UHFFFAOYSA-N 429.523 4.380 5 20 IIBD COc1ccc([C@@H](CC(=O)O)NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1OC 426788429 NENCBYVZNHQIQT-GOSISDBHSA-N 426.425 4.178 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1cc(CCc2ccccc2)ccn1 427206984 SNAJJJQJURYLMW-UHFFFAOYSA-N 446.463 4.102 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C 428774005 UGNSKTXQEBRLRE-AUUYWEPGSA-N 437.418 4.323 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC1(c2ccc3c(c2)OCO3)CC1 432861790 YERYKFOSRFFPSK-UHFFFAOYSA-N 440.399 4.240 5 20 IIBD Cc1ccc(-c2nc(CCNC(=O)c3cc(Br)cc([N+](=O)[O-])c3)co2)cc1 433202041 YSGIOGNKGCKQPC-UHFFFAOYSA-N 430.258 4.293 5 20 IIBD Cc1ccc(C(=O)NC2CCN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CC2)s1 436248026 WRBJDEWKQWPNGX-UHFFFAOYSA-N 445.544 4.086 5 20 IIBD O=C(c1ccnc(Oc2ccc(F)cc2F)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 436284478 BAUKMLGBFUCGNT-UHFFFAOYSA-N 440.406 4.023 5 20 IIBD C[C@@H](c1cccc(F)c1)N1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC1 436317505 KLGKZIASICMZQU-INIZCTEOSA-N 447.485 4.479 5 20 IIBD CCOc1cc(-c2noc(-c3ccc([N+](=O)[O-])c(OC)c3)n2)cc(Br)c1O 436779812 YVXROWIQCDDZRG-UHFFFAOYSA-N 436.218 4.187 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(F)c(Br)c2)cc1[N+](=O)[O-] 437191927 AJNDQOWMQOZLHF-UHFFFAOYSA-N 429.267 4.377 5 20 IIBD CCc1ccnc(CNC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)c1 437719813 RAHYQMBMHXDWJI-UHFFFAOYSA-N 435.505 4.435 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1nc(-c2ccccc2F)cs1 438665156 PAEQDTGLDCVRDI-UHFFFAOYSA-N 442.472 4.233 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1ccccc1SC 441695843 DGXVMLQDEMVKNB-KSSFIOAISA-N 447.582 4.046 5 20 IIBD Cc1[nH]nc(C(=O)Nc2ccc(Oc3nc(C(C)(C)C)ns3)c(Cl)c2)c1[N+](=O)[O-] 444526109 JDKWULSNBGGNET-UHFFFAOYSA-N 436.881 4.473 5 20 IIBD O=C(CCC(=O)c1cc(Cl)sc1Cl)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 444645910 QVJBNOWSAIKYIP-UHFFFAOYSA-N 427.269 4.119 5 20 IIBD CCc1cccc(CC)c1NC(=O)Cc1noc(-c2cc(O)nc3ccc([N+](=O)[O-])cc23)n1 445324489 ZRQQMWNKLLCOQE-UHFFFAOYSA-N 447.451 4.205 5 20 IIBD COc1ccc([N+](=O)[O-])c(Cc2noc(COc3ccccc3OCC(F)(F)F)n2)c1 445576951 MKSSAEVLVZZFAQ-UHFFFAOYSA-N 439.346 4.097 5 20 IIBD COc1cccc([C@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 446936002 JENRDFYIMZNZFV-MRXNPFEDSA-N 430.404 4.148 5 20 IIBD CCC(C)(C)OCc1cccc(NC(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1C 447037542 BOCZAWZRJFLZIS-UHFFFAOYSA-N 439.512 4.132 5 20 IIBD O=C(CSc1ccc(Br)cc1[N+](=O)[O-])Nc1ccc2c(c1)OCCCO2 447350770 LDIILVKDLCUPQU-UHFFFAOYSA-N 439.287 4.249 5 20 IIBD O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2Nc2ccc(Cc3nnc4n3CCCCC4)cc2)n1 447590500 CXIROKOSLFRPCF-PMACEKPBSA-N 435.532 4.296 5 20 IIBD CC[C@H](NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1nc(C(F)(F)F)cs1 460397901 CTMRDHMPDMKYOX-LBPRGKRZSA-N 430.408 4.125 5 20 IIBD COc1ccc(-c2ccc(CNC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)cc2)cc1 460547831 FOQSZBHUULETRA-UHFFFAOYSA-N 428.448 4.386 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)cc1OC 460576519 QZRGKDVJEIVOLS-NZCGUCNHSA-N 448.903 4.409 5 20 IIBD COc1cc(CNC[C@H]2CCN(c3ccccc3F)C2)c([N+](=O)[O-])cc1OCC(F)F 462912541 WYJVBJPKAPDYMR-CQSZACIVSA-N 439.434 4.003 5 20 IIBD CS(=O)(=O)C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccccc1 463054964 PQPIYCLOGNOGRE-IBGZPJMESA-N 434.901 4.384 5 20 IIBD CS(=O)(=O)C[C@H](NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccccc1 463058708 VMHIOMWELYVQQF-FQEVSTJZSA-N 444.484 4.402 5 20 IIBD COc1cc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])ccc1OC(C)C 463789946 RHBWPESOHRZMDV-UHFFFAOYSA-N 435.285 4.498 5 20 IIBD O=C(NCCc1c[nH]c2ccc(Cl)cc12)C1CCN(c2ccccc2[N+](=O)[O-])CC1 463919758 JKUPGSWVCTVXFF-UHFFFAOYSA-N 426.904 4.305 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)c2ncccc12 464213752 KKVRQSQQFJTFOA-MRXNPFEDSA-N 447.341 4.003 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1 466545072 PWSYBQWLJHVFHV-INIZCTEOSA-N 443.294 4.163 5 20 IIBD COc1ccc(C2CCN(c3cnn(-c4ccc([N+](=O)[O-])cc4)c(=O)c3Cl)CC2)cc1 467021237 JKOUCUKSPWIZNW-UHFFFAOYSA-N 440.887 4.187 5 20 IIBD O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCO[C@@H](c2cccc(Cl)c2)C1 468825874 CSLTYUUKRFKLLG-MRXNPFEDSA-N 425.666 4.224 5 20 IIBD CO[C@]1(C)CCCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 470709250 ZZHZAWNBCDLBQJ-XMMPIXPASA-N 434.496 4.018 5 20 IIBD CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 470900397 BNXKUIWBZQTYKP-UHFFFAOYSA-N 431.448 4.449 5 20 IIBD Cc1cc(Br)c(F)cc1NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 471551675 OVEYRXAXPIQYOG-UHFFFAOYSA-N 433.237 4.458 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCC1(CCOCc2ccccc2)CC1 471560222 UVXJKKDICRXTNN-UHFFFAOYSA-N 447.329 4.403 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)[C@H](C)c1cn(C)c2ccccc12)c1ccccc1[N+](=O)[O-] 475405279 UFKOEQIQOMLYLL-UZLBHIALSA-N 437.496 4.389 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)[C@@H]1CCCC[C@H]1N(C)C1CCN(C)CC1 475566128 RRFCWCLDRRYBQK-NHCUHLMSSA-N 431.581 4.013 5 20 IIBD C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F 475640971 SLGTVTOOYBGCAE-DIFFPNOSSA-N 445.825 4.307 5 20 IIBD O=C(Cc1nc(-c2ccc(F)cc2)cs1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 476683902 HBNOIPXOMALIDC-UHFFFAOYSA-N 441.484 4.470 5 20 IIBD CCc1cc2nncn2c(S[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)n1 477043422 MQMOALPGAXNEIL-HXUWFJFHSA-N 448.508 4.375 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 478044900 ZHCXLTDNVUBIKP-ZDUSSCGKSA-N 443.887 4.343 5 20 IIBD CN(C(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC(C)(C)C1 478192439 DEGYQTRKFIYVKD-INIZCTEOSA-N 431.514 4.046 5 20 IIBD Cc1cc(C(=O)N[C@@H](CO)c2ccc(Br)cc2C(F)(F)F)cc([N+](=O)[O-])c1 478437033 YVNBDBAMZKFLAS-HNNXBMFYSA-N 447.207 4.148 5 20 IIBD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1csc(-c2ccco2)n1 478854944 CRGDLRKQROMSCL-UHFFFAOYSA-N 440.403 4.449 5 20 IIBD Cc1cc(Cl)ccc1NC(=O)COc1ccc(I)cc1[N+](=O)[O-] 478905961 WXHCXGWEFHKXHG-UHFFFAOYSA-N 446.628 4.179 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)Nc2ccc(OCc3ccccn3)c(F)c2)c1[N+](=O)[O-] 480206789 ATFLBDHUFCLPLK-UHFFFAOYSA-N 431.445 4.126 5 20 IIBD COc1ccc2ccccc2c1-c1cc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)on1 481123763 XSQBNNBMPVHQSY-QGZVFWFLSA-N 445.479 4.493 5 20 IIBD COC(=O)[C@@H](C)N(C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1)C1CCC1 481349245 NWLKMZJDSSGDFM-GFCCVEGCSA-N 435.527 4.067 5 20 IIBD CC1CCN(c2ccc(C(=O)N3CCc4c(ncn4-c4ccccc4)C3)cc2[N+](=O)[O-])CC1 482710651 QVSIWYLFBRNFSV-UHFFFAOYSA-N 445.523 4.215 5 20 IIBD O=C(NC1(c2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])cc1I 482938571 FRWUKDZUHKCHNP-UHFFFAOYSA-N 442.640 4.272 5 20 IIBD CN1CCC[C@H]2CN(C(=O)c3ccc(NCc4ccccc4Cl)c([N+](=O)[O-])c3)CC[C@H]21 483567634 YNLWRDSGQUDOTM-GHTZIAJQSA-N 442.947 4.417 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 486399612 BIAZJPVJSNAYFJ-HOYKHHGWSA-N 447.495 4.159 5 20 IIBD C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cc1Cl 486762310 XUZWMMQOSWEINL-LBPRGKRZSA-N 445.859 4.244 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 487454479 JCBGMADDBIBEDE-LBPRGKRZSA-N 428.436 4.154 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@H](C)Cc2ccncc2)c([N+](=O)[O-])c1 487636438 RCUODTASRZYTPV-QGZVFWFLSA-N 440.525 4.248 5 20 IIBD Cc1ccc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1C(=O)N(C)C(C)C 488205280 ZISMRFPYTRZLEK-UHFFFAOYSA-N 433.892 4.445 5 20 IIBD CCn1c(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)nnc1-c1ccc(F)cc1 489678153 WICRLZLJQWSQHS-CYBMUJFWSA-N 429.477 4.440 5 20 IIBD CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 490096511 QZFAWWOHFXHFTC-ODUWVKTISA-N 429.542 4.017 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc1[N+](=O)[O-] 493033281 MMJRDZPEEUDUSP-CQSZACIVSA-N 441.513 4.232 5 20 IIBD COc1cc(CN[C@@H]2CCCN(c3cccc(F)c3)C2)c([N+](=O)[O-])cc1OCC(F)F 494697415 PIFHHWODBDWBNT-MRXNPFEDSA-N 439.434 4.145 5 20 IIBD CCCO[C@H]1CCCN([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 495034485 CSWAXLNTSLWLGT-YJBOKZPZSA-N 432.546 4.326 5 20 IIBD O=C(Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 499352355 PVDSJXBFQSYEOE-UHFFFAOYSA-N 435.827 4.245 5 20 IIBD O=C(NCc1ccccc1[N+](=O)[O-])c1ccc(Oc2ccc(Br)cc2)nc1 500798107 VVIYVNCZINTYKH-UHFFFAOYSA-N 428.242 4.475 5 20 IIBD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1C[C@H]1c1ccc(F)cc1F 500954268 VBWUPKNMFQFQIY-UONOGXRCSA-N 429.345 4.224 5 20 IIBD O=c1c2ccccc2nc(SCc2ccc(Cl)cc2[N+](=O)[O-])n1C[C@@H]1CCCO1 501141734 JLVXTLSWJDXQQC-HNNXBMFYSA-N 431.901 4.429 5 20 IIBD Cn1c(C(=O)Nc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)ccc1[N+](=O)[O-] 502447692 UHRCTBGMQSZEEH-UHFFFAOYSA-N 446.385 4.134 5 20 IIBD CCc1cc(N(CC)Cc2nc(O)c3ccccc3n2)nc(-c2ccc([N+](=O)[O-])cc2)n1 507119409 HAMOKFDIFMCOCE-UHFFFAOYSA-N 430.468 4.290 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(C)cc2OC[C@@H]2CCCO2)cc1[N+](=O)[O-] 508043273 UJEMEPFBSDEFQF-KRWDZBQOSA-N 446.525 4.342 5 20 IIBD Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC(C)(c3nc(C)no3)CC2)c([N+](=O)[O-])c1 510392109 BHGNOOIKRJUYSK-OAQYLSRUSA-N 449.511 4.328 5 20 IIBD COc1c(Cl)cccc1NC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 510490975 NGICZMNVPSCFTK-MRXNPFEDSA-N 435.864 4.461 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 511728077 USRNMRIYDOUILW-UHFFFAOYSA-N 435.845 4.245 5 20 IIBD C[C@H]1C[C@@H](CCNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 513494814 JXZUXGDJXVEZOB-PZJWPPBQSA-N 433.556 4.386 5 20 IIBD COc1ccccc1SC[C@H](C)CN[C@@H](c1cccc([N+](=O)[O-])c1)c1nccn1C 513656766 XHIHTXXFUPXFCF-IERDGZPVSA-N 426.542 4.444 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 514996404 YEANVJKZMCFMTF-INIZCTEOSA-N 438.267 4.154 5 20 IIBD C[C@@H](Nc1cccc(COc2ccc3c(c2)OCO3)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 515717155 CAXDOZCMSSNHBY-OAHLLOKOSA-N 435.436 4.342 5 20 IIBD C[C@@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 517866819 ZHBDCXCYSUHRDD-RTBURBONSA-N 425.529 4.158 5 20 IIBD Cn1c(CCNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)nc2ccc(F)cc21 520351824 ZTIIGVOEQTYQTE-UHFFFAOYSA-N 447.470 4.205 5 20 IIBD CCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 522474271 MTPKAZVEWWTUGW-HXUWFJFHSA-N 429.904 4.210 5 20 IIBD O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccc(=O)n(Cc2ccccc2Cl)c1 523829352 XQARPMFZRWKVNM-UHFFFAOYSA-N 449.854 4.101 5 20 IIBD CC(C)Cc1noc(-c2cc(Cl)ccc2NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)n1 531471226 WDJVSVAOGXWLDR-UHFFFAOYSA-N 444.831 4.478 5 20 IIBD COc1ccc(CN(C)[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 532772227 LIDYNDCZFHEDJU-CQSZACIVSA-N 426.498 4.186 5 20 IIBD O=C(Nc1nnc(Cc2ccc(F)cc2)s1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 533328686 RGJSBMQPOFHTQD-UHFFFAOYSA-N 426.351 4.447 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)N(c1ccccc1)c1ncccc1Br 535877850 YASPRIURKJHOSK-UHFFFAOYSA-N 428.242 4.496 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2O)cc1[N+](=O)[O-] 536095289 LRRHJCBININHMY-UHFFFAOYSA-N 440.268 4.139 5 20 IIBD O=C(N[C@@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1)c1cc2ccccc2o1 536349596 YASKJNQNLYCLBS-GOSISDBHSA-N 446.463 4.390 5 20 IIBD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccs1)N1CCOCC1 537389803 SYGFZAIBFVSAOV-GOSISDBHSA-N 449.598 4.352 5 20 IIBD C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](C(=O)Nc1ccccc1)c1ccccc1 537971242 FJKYEZOARKZVPR-SBUREZEXSA-N 432.480 4.282 5 20 IIBD O=C(CCc1ccc2[nH]ccc2c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 539366864 WEKLPLNPRUMMIE-UHFFFAOYSA-N 446.429 4.376 5 20 IIBD CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 540002563 SMZDGTFTMPIEFS-NYHFZMIOSA-N 440.475 4.102 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1c(Br)cc(F)cc1Br 541989430 FKMSPFCYPQZFRM-UHFFFAOYSA-N 432.043 4.440 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)cc([N+](=O)[O-])c1 542920891 JTZYCDFUJHFWOR-UHFFFAOYSA-N 448.357 4.228 5 20 IIBD COC(=O)[C@@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)Cc1ccc2ccccc2c1 543586240 FMZQDDLHCHXVLF-DNVCBOLYSA-N 438.455 4.139 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 544108953 HKENBHKUZYRNLS-LLVKDONJSA-N 444.435 4.168 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 545958250 QNGSSFJSDFMSPC-UHFFFAOYSA-N 445.431 4.042 5 20 IIBD Cc1cc(Cc2noc(-c3ccc(=O)n(Cc4ccccc4Cl)c3)n2)ccc1[N+](=O)[O-] 547263116 IBGDJSBJOVDLSZ-UHFFFAOYSA-N 436.855 4.407 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)N(CC(=O)Nc2cccc(C)c2C)[C@H](C)CC)c1 549293034 ADJWRUKEXOJEGJ-MRXNPFEDSA-N 427.501 4.490 5 20 IIBD O=C1CC[C@H](C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c2ccccc21 550215198 ODDVVVDJYCGPOO-KRWDZBQOSA-N 447.413 4.023 5 20 IIBD CC(C)(C(=O)Nc1nc2ccccc2n1CCCn1ccnc1)c1ccccc1[N+](=O)[O-] 550281830 LOWFRYVGDZCSDY-UHFFFAOYSA-N 432.484 4.148 5 20 IIBD O=C(NCc1ccc(Oc2ccccc2)cc1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 550849965 NKWOQXHSTXQBGC-UHFFFAOYSA-N 445.475 4.195 5 20 IIBD Cn1cc(C[C@H]2CCN(Cc3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)C2)cn1 552076765 DPDSSEMTMCBJDG-LJQANCHMSA-N 442.523 4.246 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F 554730562 UXYQBLYSCZHMOM-INIZCTEOSA-N 431.798 4.248 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(CC(=O)N(C)c3ccccc3)cc2)c1 554874518 TZFLTVJVJSWGHK-UHFFFAOYSA-N 433.464 4.451 5 20 IIBD C[C@@H](C(=O)N(C)CC(=O)NC(c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 557865839 TZWHFSYSSUZXBT-GOSISDBHSA-N 431.492 4.063 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)NC(C)(C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 559669853 JYBQCXSYIGLFFN-UHFFFAOYSA-N 431.905 4.193 5 20 IIBD COc1ccccc1[C@@H](CN[C@@H](c1ccc([N+](=O)[O-])cc1)c1nccn1C)N1CCCCC1 560518703 RYTHOTHPESSKBS-VWNXMTODSA-N 449.555 4.243 5 20 IIBD COc1cc(C(=O)N2CC3(CCC3)[C@H]2C(C)C)c([N+](=O)[O-])cc1OCc1cscn1 561000343 GSPILWGELHTQJE-LJQANCHMSA-N 431.514 4.290 5 20 IIBD C[C@@H](NC(=O)N[C@@](C)(C(=O)O)c1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 562415851 QKAHGFXWVZMKMR-MLCYQJTMSA-N 426.256 4.262 5 20 IIBD CC[C@H](c1ccccc1)c1nnc(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])s1 569156061 QKUWSFVIJYIHFH-QGZVFWFLSA-N 425.514 4.695 5 20 IIBD CC(C)Oc1cccc([C@H](C)NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 571423719 KBGUGUBAGYXLKX-HNNXBMFYSA-N 427.501 4.495 5 20 IIBD COc1cc(Cc2noc(-c3cc(OC)c(C(C)C)c(OC)c3)n2)c([N+](=O)[O-])c(OC)c1 573287137 MIGVNHVLNSFSOX-UHFFFAOYSA-N 443.456 4.393 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N2CC[C@@H](n3cc(Cl)cn3)C2)cc1[N+](=O)[O-])c1ccccn1 576914480 XOSLMHGTPCXHFI-RHSMWYFYSA-N 440.891 4.100 5 20 IIBD COC(=O)c1cc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c(C)cc1Br 578089132 AUXBDSMTVMHDFN-JTQLQIEISA-N 439.237 4.334 5 20 IIBD COC(=O)c1nc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])sc1C(C)C 579405670 NFEYXYVWUYUZEP-UHFFFAOYSA-N 447.391 4.155 5 20 IIBD Cn1ccnc1[C@@H](NCc1cc(F)c(F)cc1Br)c1cccc([N+](=O)[O-])c1 582741508 NFOBMVRPWXUZMA-KRWDZBQOSA-N 437.244 4.248 5 20 IIBD COc1cc(Cc2noc(-c3ncccc3Oc3ccccc3)n2)c([N+](=O)[O-])c(OC)c1 583590838 MKNUQZXRYAUGOO-UHFFFAOYSA-N 434.408 4.440 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 589056728 MPQOQBZBPYEEPA-IBGZPJMESA-N 449.385 4.117 5 20 IIBD CC(C)(C)Oc1ccc(CNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)c(C(F)(F)F)c1 600848903 IPRSHZMWBFCUHE-UHFFFAOYSA-N 447.435 4.050 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)NCc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] 603517657 JFBAKNAUTSQSKP-UHFFFAOYSA-N 438.296 4.111 5 20 IIBD CCOc1cc(NC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OCC 603650818 DEFFQBXDBCHKHK-FQEVSTJZSA-N 433.436 4.137 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CN1C(=O)[C@H](c2cccs2)N(Cc2ccccc2)C1=O 603677906 LBFPXQWGWLMDQN-FQEVSTJZSA-N 437.477 4.371 5 20 IIBD CCOc1cc(-c2ccccc2)sc1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 603809351 OGJVYCZJBZQNSK-UHFFFAOYSA-N 438.509 4.079 5 20 IIBD CCN1C[C@H](CN(C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)Oc2ccccc21 604518584 IUZRWTAAKJTKEJ-KRWDZBQOSA-N 438.509 4.078 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC1c2ccccc2Oc2ccccc21 608799231 QEVSNZPAJGPMEQ-UHFFFAOYSA-N 445.431 4.294 5 20 IIBD COc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)n2)cc1Cl 608933253 ZMWMYMNTAAVVFW-UHFFFAOYSA-N 447.856 4.404 5 20 IIBD COc1ccc(C[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1OC 608949142 UPYTZNRBENBNKX-OAQYLSRUSA-N 436.464 4.091 5 20 IIBD CCC[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1I 609033717 CHCCDYJRCUEDQV-AWEZNQCLSA-N 438.265 4.341 5 20 IIBD O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccc(OCCO)cc2)cc1 609223544 GDWAIRPQTXWHBT-UHFFFAOYSA-N 444.491 4.108 5 20 IIBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(NC(=O)c2cccs2)c1 609455221 BZNXYTXNAPOMDT-UHFFFAOYSA-N 445.884 4.371 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N(Cc2ccc(F)cc2)CC2CC2)cc1[N+](=O)[O-] 609652483 CKCKXEIDPSAMPU-UHFFFAOYSA-N 441.488 4.066 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(NC[C@H](O)CC(C)(C)C)c([N+](=O)[O-])c1 609765745 QPQRSGTZXONUHP-QGZVFWFLSA-N 435.546 4.019 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCS[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 609823088 BWCBDFZWOFFGQS-HOTGVXAUSA-N 435.571 4.140 5 20 IIBD O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 609885373 URAMZVIHYLNCRD-UHFFFAOYSA-N 442.903 4.003 5 20 IIBD CCN1CC[C@@H](N(C)C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C[C@H]1C 610125912 YMHTYGPDKACCAM-CHWSQXEVSA-N 440.331 4.032 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N[C@H](CCO)c2ccccc2)c([N+](=O)[O-])c1 610132492 LXBPOLAVAQDOHO-HXUWFJFHSA-N 434.448 4.148 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)Nc1cccc(Oc2ncc(Br)cn2)c1 610903554 ZPJOONKFCCFYGK-UHFFFAOYSA-N 444.245 4.261 5 20 IIBD O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611203944 HJKRIXKSSBHUNE-UHFFFAOYSA-N 441.488 4.484 5 20 IIBD CC(C)(C(=O)O)[C@H]1CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 611478480 DVZAZPJNQJLXAI-SFHVURJKSA-N 425.485 4.170 5 20 IIBD CN(C)CCCOc1ccc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 618754032 VNQUUPFEDZAEKH-UHFFFAOYSA-N 440.422 4.266 5 20 IIBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccnc1Nc1ccc(Cl)cc1 619507209 PKUJEIFIWWLFIB-UHFFFAOYSA-N 434.861 4.196 5 20 IIBD O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc2ccccc2c2cccnc12 643103877 BTKIWKBDDMXEPA-UHFFFAOYSA-N 431.517 4.425 5 20 IIBD Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 726766625 ZJKKJYWZBRGYPA-UHFFFAOYSA-N 449.850 4.458 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(CC[C@@H](O)c2ccccc2)cc1 727359921 DDWHPLFMGDPMQJ-OAQYLSRUSA-N 426.494 4.370 5 20 IIBD CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c2ccccc2C1 728030327 BLBCRWCHTAVTCD-UHFFFAOYSA-N 436.468 4.474 5 20 IIBD Cc1cc2ccccc2n1CC(=O)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C 728083529 AQTPDFBSMXLYFW-UHFFFAOYSA-N 433.468 4.345 5 20 IIBD O=C(NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)Nc1cccc([N+](=O)[O-])c1 728942241 NXJHOXNIJRNPOT-OAHLLOKOSA-N 437.296 4.185 5 20 IIBD COc1ccc(-c2nc(CC(=O)OCc3c(F)cccc3[N+](=O)[O-])cs2)cc1OC 728992865 ZILMSYADVNOFCZ-UHFFFAOYSA-N 432.429 4.161 5 20 IIBD COc1ccc(/C=C(/Cl)c2nnc(C(=O)NCc3ccccc3)s2)cc1[N+](=O)[O-] 730151458 KUUVTFUIPHIOQW-NTEUORMPSA-N 430.873 4.122 5 20 IIBD O=C1/C(=C/c2csc(-c3cccc([N+](=O)[O-])c3)n2)NC(=S)N1c1ccccc1F 733084057 WHTILFMASPMKJN-DHDCSXOGSA-N 426.454 4.120 5 20 IIBD CCN(CC)CCN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 733107606 VEIRCRIWFFOCLH-UHFFFAOYSA-N 428.489 4.104 5 20 IIBD COc1ccnc(C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)c1 734911363 NNXCOTDSZGWLRI-LJQANCHMSA-N 441.827 4.189 5 20 IIBD Cc1ccc(CCN(CC(F)(F)F)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc1 744369883 POGDULGBRDNZMB-UHFFFAOYSA-N 425.363 4.367 5 20 IIBD O=C(OCc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 746954070 GGSXHCPAMOTGHC-KRWDZBQOSA-N 441.242 4.389 5 20 IIBD CCc1ccc(O)c(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 748920711 PXEGFZWLSSBOAN-JTQLQIEISA-N 426.347 4.066 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCSCC2)c(Cl)c1 749003284 KIAKWLMVBLKQTE-UHFFFAOYSA-N 435.937 4.035 5 20 IIBD Cc1ccccc1-c1noc(CN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)n1 750615203 HQFYUACLAJZZHT-UHFFFAOYSA-N 429.274 4.274 5 20 IIBD COc1ccc(CSCC(=O)OCc2ccn(-c3c(F)cccc3F)n2)cc1[N+](=O)[O-] 751668458 NYMRVCLQASVBLT-UHFFFAOYSA-N 449.435 4.044 5 20 IIBD Cc1c(C(=O)N[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 752439903 SRYDEBBEPCXURX-JTQLQIEISA-N 431.792 4.006 5 20 IIBD CCN(CC)C(=O)c1ccccc1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 753040459 KAXJUIJVOZTMTH-UHFFFAOYSA-N 434.290 4.400 5 20 IIBD COc1ccc(CSCC(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)cc1[N+](=O)[O-] 754394386 JOVOVQLUWQXCHU-RDJZCZTQSA-N 436.555 4.013 5 20 IIBD CN(Cc1ccco1)Cc1ccccc1CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl 756943528 APFLMLYPMDHOSP-UHFFFAOYSA-N 442.903 4.473 5 20 IIBD CN(C(=O)c1ccc(C(=O)O[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1)c1ccccc1 757484487 GEGZAWSGAOIJNS-RTWAWAEBSA-N 448.479 4.409 5 20 IIBD CC(=O)N(c1nc(COC(=O)c2ccc(F)cc2[N+](=O)[O-])cs1)c1ccccc1F 758113905 JZSAMCWHHPPMMH-UHFFFAOYSA-N 433.392 4.371 5 20 IIBD C[C@@H](OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)Nc1cccc(Cl)c1Cl 758736337 HYFQDWRDGDUYMY-SNVBAGLBSA-N 436.251 4.496 5 20 IIBD O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1cncc(F)c1 759423706 VNKVARODELSNOX-GOSISDBHSA-N 429.791 4.319 5 20 IIBD Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C 759804427 MGFJZMLKSPZFMD-MRXNPFEDSA-N 440.953 4.243 5 20 IIBD O=[N+]([O-])c1ccc([C@@H](O)CN[C@@H](Cc2ccccn2)c2ccc(Br)cc2)cc1 765850644 YPMASWDRXHAERD-SFTDATJTSA-N 442.313 4.359 5 20 IIBD O=C1[C@H](NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCCN1c1ccccc1Cl 766163333 KLXKYIWEKCWBEE-HXUWFJFHSA-N 428.920 4.002 5 20 IIBD O=C(O[C@H]1CCOC[C@@H]1OCc1ccccc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 767003131 QYPSZNRUGOHEAZ-PMACEKPBSA-N 440.477 4.249 5 20 IIBD CCCC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c1 768281571 BKKVKYRAMGKRPC-UHFFFAOYSA-N 429.857 4.235 5 20 IIBD CC(=O)[C@H](Cc1ccc(Cl)cc1F)OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 768369574 QGRFRRYTJZZPLM-NRFANRHFSA-N 448.878 4.347 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCC(NC(=O)OC(C)(C)C)CC1 769561639 CNLRBZZTWKRVJZ-UHFFFAOYSA-N 429.464 4.464 5 20 IIBD C[C@H](OC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 769610419 WEFQTKKULKXNHH-SWLSCSKDSA-N 448.476 4.188 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCc2cccc(NC(=O)OC(C)(C)C)c21 773023349 ZVVFEVKPYCRGBW-UHFFFAOYSA-N 433.486 4.002 5 20 IIBD Cc1ccc(-n2nc(C(=O)O[C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cc2C)cc1 777154846 PMEUZNGFDQMLOT-HNNXBMFYSA-N 433.424 4.365 5 20 IIBD COc1ccc(Cn2cc(C(=O)O[C@H](C)c3cc([N+](=O)[O-])ccc3C)cn2)cc1OC 778458627 LWONCWHMJYRGJJ-OAHLLOKOSA-N 425.441 4.083 5 20 IIBD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])OCc1noc(-c2ccc(F)cc2F)n1 781206325 KDYFUMDIQSEFIA-UHFFFAOYSA-N 441.799 4.412 5 20 IIBD O=C(COC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)Nc1ccc2c(c1)CCC2 781257292 SUCLQMSXPMPDNG-UHFFFAOYSA-N 448.425 4.244 5 20 IIBD O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781258167 QVGMOAGCIPUYOQ-UHFFFAOYSA-N 428.322 4.364 5 20 IIBD Cc1nn(CCC(=O)Oc2cc(Br)ccc2C(F)(F)F)c(C)c1[N+](=O)[O-] 784111267 DWWVUEIFUONZNR-UHFFFAOYSA-N 436.184 4.185 5 20 IIBD C[C@@H](OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)c1ccccc1Br 789078733 MFTHMJBPRNONAK-LLVKDONJSA-N 429.226 4.334 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)Cc2cccc(Cl)c2Cl)c([N+](=O)[O-])c1 789247374 BPDAJQTXFPAELS-UHFFFAOYSA-N 427.240 4.025 5 20 IIBD CC(C)c1ccccc1OCC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791173690 FAUUCUJADGCITK-UHFFFAOYSA-N 433.302 4.444 5 20 IIBD CC(C)(C)OC(=O)NCc1ccccc1OS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 795985755 RXRZQBJQPXSOPX-UHFFFAOYSA-N 442.877 4.041 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Oc2ccc3ccc(OC)cc3c2)cc1OC 798114551 SKEKOUKMVVQYKG-UHFFFAOYSA-N 427.409 4.010 5 20 IIBD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 803535624 FFMKFNPCGHXDJJ-QFIPXVFZSA-N 431.895 4.054 5 20 IIBD Cc1ccnc2ccc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)cc12 803867337 BKAJGRJVYXSJKT-UHFFFAOYSA-N 433.342 4.266 5 20 IIBD CN1CCO[C@@H]([C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)c2ccc(Cl)cc2)C1 809914389 DLEOCALHSUDGFW-AEFFLSMTSA-N 439.299 4.095 5 20 IIBD CC(C)(CCc1noc(-c2nnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)n1)[N+](=O)[O-] 812814002 SJLLEZDRRWVYEH-UHFFFAOYSA-N 436.394 4.201 5 20 IIBD O=C(CCCc1nc(O)c2ccccc2n1)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F 815181860 BAXDYEUFGIKWLV-UHFFFAOYSA-N 435.358 4.329 5 20 IIBD COC(=O)C12CCC(C(=O)OCc3csc(-c4cccc([N+](=O)[O-])c4)n3)(CC1)CC2 816091401 VNYALTSRQVWNET-UHFFFAOYSA-N 430.482 4.275 5 20 IIBD O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCN(Cc2ccc(Br)s2)CC1 816820865 DHNDAAHBKYWVTN-UHFFFAOYSA-N 444.738 4.030 5 20 IIBD C[C@H](c1ccc(Cl)cc1)N(C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)C1CC1 914479903 HESDEXMKWZKLKO-OAHLLOKOSA-N 429.904 4.451 5 20 IIBD CCN(Cc1ccc(OC)cc1OC)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 914508399 OIVGHZVRRHYJAR-UHFFFAOYSA-N 427.501 4.265 5 20 IIBD Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)OC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 915469720 RCODNXZYGCHASV-MRXNPFEDSA-N 436.468 4.396 5 20 IIBD Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3csc([N+](=O)[O-])c3)cc2)cc1C 916035796 UFEIJNDXWHBREZ-UHFFFAOYSA-N 446.506 4.317 5 20 IIBD O=C(Nc1cccc(COCc2ccco2)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 916688746 HHRCHNQUYSNIJE-UHFFFAOYSA-N 436.468 4.259 5 20 IIBD COc1ccc(CCC2CCN(C(=O)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1 918319179 JUSKHOCDPUOWPF-UHFFFAOYSA-N 445.903 4.067 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1COC(=O)CCc1nc(-c2ccc(F)c(C)c2)no1 918536188 BSQRNQORHSXDRK-UHFFFAOYSA-N 429.404 4.167 5 20 IIBD O=C(OCC[C@@H]1CCCCN1C(=O)CCc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 918636343 GVGPEIVDZMDJQQ-FQEVSTJZSA-N 428.460 4.295 5 20 IIBD C[C@H](OC(=O)c1ccc(Br)cc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1 919494125 ZGJOSGCQDJWNOB-VIFPVBQESA-N 427.638 4.195 5 20 IIBD COc1ccc(OC(=O)[C@@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)c([N+](=O)[O-])c1 919678552 BCKMJLXZOJWENW-NUCSPZLJSA-N 444.871 4.257 5 20 IIBD O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)c(Cl)c1)c1ccc([N+](=O)[O-])o1 919867724 PMZMJEWKQUTGML-UHFFFAOYSA-N 440.887 4.416 5 20 IIBD CC(C)Cc1noc(COC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1 920544580 DECAMJKVYMXKCR-AWEZNQCLSA-N 425.445 4.101 5 20 IIBD CSc1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 920778592 LNVHPPKOCWSELJ-VXGBXAGGSA-N 438.889 4.308 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)C(C)C 920906393 BUXBLUDJNJTYPN-QGZVFWFLSA-N 443.287 4.003 5 20 IIBD O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCc2cc(Br)ccc21 921146823 GBEZHJQKJQIGRR-UHFFFAOYSA-N 426.064 4.323 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(-n2cnc3ccccc32)cc1 921176003 PCNVTZHKHVKKDN-UHFFFAOYSA-N 441.403 4.341 5 20 IIBD CC(C)(C)OC(=O)NC(C)(C)C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 921303790 YSKQICKSEBUCFX-UHFFFAOYSA-N 443.456 4.056 5 20 IIBD CNS(=O)(=O)c1cccc([C@H](C)NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c1 1318372126 MSHZJHKRSJDIDL-ZDUSSCGKSA-N 449.916 4.267 5 20 IIBD Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)N3Cc4ccc([N+](=O)[O-])cc4C3)c12 1319175530 IULRMYYDXUVQKU-UHFFFAOYSA-N 440.463 4.066 5 20 IIBD CCOc1cc(NC(=O)N[C@H]2CCCc3cnn(C(C)C)c32)c([N+](=O)[O-])cc1OCC 1320254960 RCPPVKSDCOIRCU-HNNXBMFYSA-N 431.493 4.369 5 20 IIBD Nc1c(C(=O)Nc2ccc(Br)cc2F)cc(Br)cc1[N+](=O)[O-] 1321252725 WEJSIOGMFLQGGE-UHFFFAOYSA-N 433.031 4.093 5 20 IIBD Nc1c(C(=O)N2CC[C@H](CSc3ccccc3)C2)cc(Br)cc1[N+](=O)[O-] 1321447069 VXFBMURYFBZKTG-LBPRGKRZSA-N 436.331 4.194 5 20 IIBD Cc1ccc(-n2nc(Br)cc2C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc1 1322463730 RAQRSHGHOCMBIH-UHFFFAOYSA-N 427.258 4.007 5 20 IIBD COc1ccc(-c2cc(Nc3ccc([N+](=O)[O-])cc3S(C)(=O)=O)ccc2OC)cc1 1338756897 BQQQLXFPEHBPPS-UHFFFAOYSA-N 428.466 4.426 5 20 IIBD C[C@H](C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CCC1)c1ccccn1 1785751589 KYZGJHOHPQCVEZ-HNNXBMFYSA-N 434.452 4.134 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)Nc1ccc(C2(NC(=O)/C=C/C3CC3)CCC2)cc1 1790806884 CITUNTORHNOBNN-BJMVGYQFSA-N 435.480 4.323 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(Cl)c1 1799618191 GBHQVZQQZXCAHT-BJWYYQGGSA-N 445.878 4.261 5 20 IIBD CC[C@H](C)CC(=O)N1CCCC2(CCN(C(=O)Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)C1 1805778208 WIRBMYGLDMQFLA-KRWDZBQOSA-N 449.979 4.458 5 20 IIBD Cc1ccccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)n[nH]1 1814968019 PODIUIOTBJBCBG-JARZOMNASA-N 449.467 4.239 5 20 IIBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCC([C@H]2CCCCN2C(=O)c2ccsc2)CC1 1825793170 XHBZKSJKCCFCDF-FHHGHWCOSA-N 443.525 4.196 5 20 IIBD Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)NCc2cccs2)n1 3519772 HMFVJOIWVNLTKF-UHFFFAOYSA-N 449.535 4.046 5 20 IIBD Cc1ccc(-c2csc(NC(=O)CSc3ccc(C(N)=O)cc3[N+](=O)[O-])n2)cc1C 14496626 FHQSPGPEGFOSLA-UHFFFAOYSA-N 442.522 4.165 5 20 IIBD Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-] 17733706 ANXONTKFOWEWGG-UHFFFAOYSA-N 431.857 4.136 5 20 IIBD COc1ccc2cc(CN(C)C(=O)COC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2c1 18172341 DCLZGRALGQLZNK-UHFFFAOYSA-N 442.855 4.225 5 20 IIBD Cc1ccc(C2=NN(C(=O)COc3ccc(C=O)cc3[N+](=O)[O-])[C@H](c3ccco3)C2)cc1 22123544 VJILWBMSVVJQEP-IBGZPJMESA-N 433.420 4.065 5 20 IIBD Cc1c(NC(=O)[C@H](C)OC(=O)CSc2nc3ccccc3s2)cccc1[N+](=O)[O-] 24011233 CBTPIGUAXWHFPG-LBPRGKRZSA-N 431.495 4.175 5 20 IIBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1C 26878192 NSIKPBUINRGGPT-GHMZBOCLSA-N 448.385 4.399 5 20 IIBD COCCOc1ccc(C(F)(F)F)cc1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 27172649 XDWVDANIYVJYHF-LBPRGKRZSA-N 427.379 4.078 5 20 IIBD CC(C)(C)c1nc2cc(NC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)ccc2[nH]1 29871501 GSJTVEAYLKYVJS-UHFFFAOYSA-N 437.456 4.095 5 20 IIBD COc1cc(CN2CCN(c3ccccc3Cl)CC2)c([N+](=O)[O-])cc1OC(F)F 58452181 GPMMQGJIRWNPKC-UHFFFAOYSA-N 427.835 4.180 5 20 IIBD CCOC(=O)CCN(C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1)C1CC1 63443248 SJSFAVLCILDTFW-UHFFFAOYSA-N 435.527 4.069 5 20 IIBD C[C@@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1ccc(Br)cc1 64115364 JNBWVQLQGCTUNS-GFCCVEGCSA-N 429.274 4.495 5 20 IIBD Cc1nc2ccccc2c2c(NC(=O)[C@@H]3CC(=O)N(Cc4ccccn4)C3)c3ccccc3n12 71938377 BETHSWYHXVFBBO-GOSISDBHSA-N 449.514 4.331 5 20 IIBD O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCC[C@@H](C2OCCO2)C1 110378403 SBHCOPCCFHUBRQ-OAHLLOKOSA-N 432.860 4.266 5 20 IIBD O=C(O)CCCN(Cc1ccccc1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 237954735 DLTHSNMEAAWEKV-UHFFFAOYSA-N 425.466 4.226 5 20 IIBD Cc1cccc(NC2CCN(c3cnn(-c4ccc([N+](=O)[O-])cc4)c(=O)c3Cl)CC2)c1 301330951 DKZFXDWTQAPNDK-UHFFFAOYSA-N 439.903 4.183 5 20 IIBD O=C(Nc1ccc(Cl)cn1)C1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 301374894 WYGZAIKYEOXZLQ-UHFFFAOYSA-N 439.697 4.261 5 20 IIBD NS(=O)(=O)c1cc(N[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)cc([N+](=O)[O-])c1 301924539 KYPBOWJVTSTPOZ-WBVHZDCISA-N 429.420 4.009 5 20 IIBD CC[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 304724021 QYYQCLVOZFYHAS-CYBMUJFWSA-N 427.320 4.347 5 20 IIBD O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCCN(CCCc2ccccc2)CC1 437226818 ISHNMOBYGBLBGR-UHFFFAOYSA-N 435.446 4.394 5 20 IIBD CC[C@@H](C)n1ncc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1C1CC1 438667783 LUEJMWLZVYOSOU-OAHLLOKOSA-N 427.505 4.015 5 20 IIBD O=C(Nc1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 440300700 BGAOFBBTLDYCPP-UHFFFAOYSA-N 425.828 4.404 5 20 IIBD COc1cc(Br)c(C(=O)COc2cc(C)c([N+](=O)[O-])cc2F)cc1OC 442907624 JDUXQDFOZWCQNQ-UHFFFAOYSA-N 428.210 4.084 5 20 IIBD Cc1ccc(CN(Cc2ccco2)C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)s1 446899547 SDTYKTPQTSSWKZ-UHFFFAOYSA-N 425.470 4.346 5 20 IIBD Cc1cc(S(=O)(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)sc1Br 446926311 WOSCLKGQESKFPZ-UHFFFAOYSA-N 431.333 4.081 5 20 IIBD CC1(C)CCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCS1(=O)=O 447060001 NGWVZZVXBCODPU-UHFFFAOYSA-N 438.933 4.440 5 20 IIBD CCN(C(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccc(Br)cn1 447342701 KWGHGBATFUQMHE-UHFFFAOYSA-N 435.097 4.243 5 20 IIBD O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2Nc2ccc(Cc3nnc4n3CCCCC4)cc2)n1 447590501 CXIROKOSLFRPCF-UXHICEINSA-N 435.532 4.296 5 20 IIBD Cc1cc(Br)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)s1 460430023 VKZWHTFJJMYSBL-UHFFFAOYSA-N 443.247 4.129 5 20 IIBD CCCC[C@@H](C)N(C)C(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 461631266 KKWLGKVQGRKWPE-OAHLLOKOSA-N 449.529 4.055 5 20 IIBD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1 462437851 BMVQITIPTWSHEZ-PGRDOPGGSA-N 445.947 4.007 5 20 IIBD COc1ccc(S(=O)(=O)Nc2cccc(CNc3ccc([N+](=O)[O-])c(OC)c3)c2)cc1 462835829 ROPOPNRQKIJFHL-UHFFFAOYSA-N 443.481 4.025 5 20 IIBD CC(C)(C)c1cnc(NC(=O)c2ccc([N+](=O)[O-])cc2I)s1 464091878 BVLFTZYAGSIEQG-UHFFFAOYSA-N 431.255 4.206 5 20 IIBD O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 467231284 ROCKSVNOPJMDIN-KRWDZBQOSA-N 441.818 4.133 5 20 IIBD Cc1sc(S(=O)(=O)NCc2ccc(COCc3ccccc3)cc2)cc1[N+](=O)[O-] 467413883 ZWDCIGYJSNCOOI-UHFFFAOYSA-N 432.523 4.160 5 20 IIBD CC[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(F)(F)F 471204127 WQLLVNONXBMQGJ-LBPRGKRZSA-N 433.433 4.203 5 20 IIBD CCc1ccc(C(=O)N2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1[N+](=O)[O-] 471997906 KWTXIFJYONPRRF-UHFFFAOYSA-N 430.892 4.191 5 20 IIBD C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 473528095 GWOQUJKGDTWJAG-JYCIKRDWSA-N 429.523 4.289 5 20 IIBD CCCCCC(=O)NC1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 475215543 ZWOYXVRNVXONDV-UHFFFAOYSA-N 430.427 4.306 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ncccc1OCc1cccc(Cl)c1 476916824 SSLCVADBNBQNDK-UHFFFAOYSA-N 449.872 4.032 5 20 IIBD CCNc1ccc(C(=O)OCC)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Br 476921530 NLIYYZZBWSMDKH-UHFFFAOYSA-N 436.262 4.218 5 20 IIBD Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 477980738 COJHGLPGKJJJJQ-UHFFFAOYSA-N 430.468 4.407 5 20 IIBD CN1C(=O)N(Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C(=O)[C@H]1c1cc(F)c(F)c(F)c1 479176909 JMRPQNAFBWIEKX-OAHLLOKOSA-N 447.291 4.166 5 20 IIBD CN(C(=O)CN[C@@H](c1cc(F)cc(Br)c1)C1CC1)c1ccc([N+](=O)[O-])cc1 481740558 VZCTYZSUILDAFC-LJQANCHMSA-N 436.281 4.200 5 20 IIBD COc1cccc(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)c1[N+](=O)[O-] 484584569 DRGIFWIRIXPQSF-UHFFFAOYSA-N 435.259 4.137 5 20 IIBD Cc1ccc(CNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])c(=O)n1C 486708146 NTZGNKMXRMLFJL-UHFFFAOYSA-N 443.912 4.337 5 20 IIBD CCc1nc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)sc1C(=O)OC 486934045 JKPJFBOFVJELLG-UHFFFAOYSA-N 443.431 4.017 5 20 IIBD O=C(NC1CCN(Cc2coc(-c3ccccc3)n2)CC1)c1c(Cl)cccc1[N+](=O)[O-] 487511422 ZUYCLRUYIZHQML-UHFFFAOYSA-N 440.887 4.298 5 20 IIBD CCOC(=O)c1cc(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)cc([N+](=O)[O-])c1 487711506 NJVYNJBTKWQFCH-UHFFFAOYSA-N 447.419 4.349 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cc(Cl)ccc1OC[C@@H]1CCCCO1 488201978 PVWLISRUPOIILS-INIZCTEOSA-N 449.891 4.255 5 20 IIBD CCn1c(S[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)nnc1-c1ccc([N+](=O)[O-])cc1 489386309 JWRSBRYVQPIIJJ-AWEZNQCLSA-N 439.497 4.195 5 20 IIBD CN(C[C@@H]1CCOC1)C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 489620930 NXXYWMGNIODSEW-AWEZNQCLSA-N 437.855 4.358 5 20 IIBD O=C(CN(Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1c(F)cc(F)cc1Br 490025374 MTBBKZVBJXIPHL-UHFFFAOYSA-N 440.244 4.239 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1ccc(F)cc1Br 492488015 TVSSMNFCZCKDBQ-UHFFFAOYSA-N 446.070 4.118 5 20 IIBD CNC(=O)c1cc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])ccc1Cl 495072568 SPGGIRKVEWYMJK-UHFFFAOYSA-N 439.855 4.439 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(CN3CCCCCC3)cc2)cc1OC 499466134 YIYVUOSGOYQEMF-UHFFFAOYSA-N 441.528 4.308 5 20 IIBD Nc1cccc([N+](=O)[O-])c1C(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 499621589 JVXCIASXYVXGGJ-UHFFFAOYSA-N 431.427 4.099 5 20 IIBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCCc1c[nH]c2ccc(Br)cc12 501875580 VSLFSSAXGGLXJK-UHFFFAOYSA-N 445.317 4.265 5 20 IIBD CC(C)(C)c1ccc(Oc2ccc(CN3CC[C@H](S(C)(=O)=O)C3)cc2[N+](=O)[O-])cc1 503067040 ZPLITKSGPKQOCN-IBGZPJMESA-N 432.542 4.304 5 20 IIBD Cc1onc(-c2cccc(Br)c2)c1C(=O)NCCNc1ccccc1[N+](=O)[O-] 503387806 BTDTYMWYRLZKFZ-UHFFFAOYSA-N 445.273 4.163 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc(Cl)c(OC(F)F)c1 504171795 ZTSFRCZAAYZBFE-UHFFFAOYSA-N 441.774 4.176 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)cc1OC 505423495 UNNTTWJJFTURHQ-MRXNPFEDSA-N 434.317 4.314 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)cc1[N+](=O)[O-] 509251310 ZNRPHUOAEWERQF-UHFFFAOYSA-N 425.875 4.181 5 20 IIBD COc1cc(CN2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c([N+](=O)[O-])cc1OC(F)F 511781344 MSDSVUVBIARYEI-SQNIBIBYSA-N 434.439 4.209 5 20 IIBD CS(=O)(=O)c1cc(-c2nc([C@@H](F)c3ccc(C(F)(F)F)cc3)no2)cc([N+](=O)[O-])c1 512039309 HQUCYEZSSJGLKJ-AWEZNQCLSA-N 445.350 4.126 5 20 IIBD O=C(NCc1cc2ccccc2s1)c1ccc([N+](=O)[O-])cc1I 512123799 RADGMLWVXZFYGE-UHFFFAOYSA-N 438.246 4.344 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1 512864465 IGLDQYQRLHTMLC-MRXNPFEDSA-N 428.514 4.132 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N3CC[C@@H](Cc4ccccc4)C3)n2C[C@H]2CCCCO2)c1 515002426 LJLDRFZHWAYCNY-NZQKXSOJSA-N 447.539 4.491 5 20 IIBD CCN(C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)[C@H](C)c1cccc(OC)c1 515202156 NSDKJLZBGPWAPS-CQSZACIVSA-N 441.513 4.106 5 20 IIBD COc1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)c([N+](=O)[O-])cc1OC 515872009 XQHHDHQOCFYQIP-UHFFFAOYSA-N 445.815 4.363 5 20 IIBD Cc1ccc(NS(=O)(=O)c2ccc(NCc3cccc(CO)c3)c([N+](=O)[O-])c2)c(C)c1 517874281 TWDKUTDZYDCDEL-UHFFFAOYSA-N 441.509 4.117 5 20 IIBD CCCOc1cc(NC(=O)C(=O)N(C)[C@@H]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1OCCC 518149745 PNWWQEFTLLBCLK-DOTOQJQBSA-N 435.521 4.148 5 20 IIBD O=C(c1cc(NCCc2nc(-c3ccc(Cl)cc3)no2)ccc1[N+](=O)[O-])N1CCCC1 518318566 KYFSNQXITLHZLC-UHFFFAOYSA-N 441.875 4.189 5 20 IIBD O=C(CCN1CCCCC1)Nc1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 520328094 LGKKKYNHYLBTBW-UHFFFAOYSA-N 430.892 4.315 5 20 IIBD CCN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)c1ccc(F)cc1 521625529 KRZZPXRHLQSXPU-DEOSSOPVSA-N 449.482 4.492 5 20 IIBD COCCN(C(=O)c1ccc(C(C)=O)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 521955443 GSMWQYYTCQWAGL-UHFFFAOYSA-N 425.466 4.214 5 20 IIBD CN(CCOc1ccc(OCc2ccccc2)cc1)C(=O)NCc1cccc([N+](=O)[O-])c1 523692046 BLGKTWKAHZOFCN-UHFFFAOYSA-N 435.480 4.394 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1 524420704 RPNQIVNMWDATEE-LJQANCHMSA-N 427.526 4.355 5 20 IIBD O=C(Nc1ccc(-c2nc(=O)o[nH]2)cc1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 526956992 QYWWIHUZOGHJDG-UHFFFAOYSA-N 434.433 4.342 5 20 IIBD COc1ccc(CNc2cccc(-n3cnnn3)c2C)cc1OCc1ccc([N+](=O)[O-])cc1 532897639 IQFGFJHZKMASCJ-UHFFFAOYSA-N 446.467 4.079 5 20 IIBD CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)NCCc1cccc([N+](=O)[O-])c1 536239315 ONIBVPLJIPGIJS-UHFFFAOYSA-N 426.473 4.194 5 20 IIBD COc1cc(CN2CC[C@@]3(CCCN(Cc4ccccc4)C3)C2)c([N+](=O)[O-])cc1OC 536675368 HRCOCAOVDMZYKL-XMMPIXPASA-N 425.529 4.100 5 20 IIBD COc1ccc(OCCN[C@@H](C)c2ccc(OC)c(Br)c2)c([N+](=O)[O-])c1 537067501 PMMTVAPOIVSZBF-LBPRGKRZSA-N 425.279 4.104 5 20 IIBD Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cc1S(=O)(=O)NC1CC1 537152495 YLZHLGXTGZOKJI-UHFFFAOYSA-N 449.554 4.097 5 20 IIBD Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)nn1-c1ccccc1Cl 538594379 UZUQROPZPDICGI-UHFFFAOYSA-N 432.889 4.079 5 20 IIBD COc1cc(CN2CCO[C@](C)(c3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F 538731526 RYBHQDHUQFHXQG-FQEVSTJZSA-N 440.418 4.292 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNC3CCN([C@@H]4CCCC[C@H]4O)CC3)o2)c(Cl)c1 539525262 GDOYVHIYNNXWMH-NHCUHLMSSA-N 433.936 4.366 5 20 IIBD O=C(COc1ccccc1[N+](=O)[O-])N[C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F 542068035 CHVNDPDQIXZVDW-HNNXBMFYSA-N 438.280 4.292 5 20 IIBD COC(=O)C[C@H](NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)c(F)c1 542527133 QKMGQQGZWQTGIX-QGHHPUGFSA-N 426.803 4.051 5 20 IIBD O=c1c(Cl)c(N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cnn1-c1ccc([N+](=O)[O-])cc1 542555544 UMSRYRGDXCFIIH-BEFAXECRSA-N 444.850 4.265 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CC[C@@H](OCCN2CCCC2)C1 542655841 MSWPXJSRJBNSPD-HXUWFJFHSA-N 447.601 4.204 5 20 IIBD COc1cc(C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)cc([N+](=O)[O-])c1OC 544012500 AEHAXDGXIUIZRK-UHFFFAOYSA-N 436.346 4.069 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 544110808 SCWAQAMXGYGZPS-INIZCTEOSA-N 436.468 4.138 5 20 IIBD Cc1c([N+](=O)[O-])cnc(N[C@@H](c2nc(-c3ccncc3)no2)C(C)C)c1Br 544395940 YVKIHZLUJWOOFL-CQSZACIVSA-N 433.266 4.315 5 20 IIBD COc1cc(Cc2noc(/C=C/c3cc(Cl)c(OC)c(OC)c3)n2)ccc1[N+](=O)[O-] 545052674 QDPZMWKEBMSXNY-FNORWQNLSA-N 431.832 4.418 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 546071110 MRJLWTCNSPHGOK-NVXWUHKLSA-N 428.432 4.369 5 20 IIBD COc1cccc(CN(C)[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 552503458 ABJRTEZILRZLOO-CQSZACIVSA-N 426.498 4.186 5 20 IIBD Cc1ccc2nc(COc3ccc(C(=O)N(C)CCc4ccccc4[N+](=O)[O-])cc3)cn2c1 560720669 NASIMRBGQPBTCK-UHFFFAOYSA-N 444.491 4.445 5 20 IIBD CCC[C@H](NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(F)cc1F 566340073 GARSNXBXRIMOGT-FQEVSTJZSA-N 431.439 4.022 5 20 IIBD Cc1cc(N[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c(Br)cc1[N+](=O)[O-] 573854699 XQVQBZAMGHBCRT-GFCCVEGCSA-N 442.335 4.089 5 20 IIBD Cc1nn(Cc2ccccc2)c(C)c1CN[C@H](c1ccc([N+](=O)[O-])cc1)c1nccn1C 576094977 KBUXOCZQFIGRML-HSZRJFAPSA-N 430.512 4.069 5 20 IIBD Cc1sc2nc(Cc3noc(C(C)(C)c4ccc([N+](=O)[O-])cc4)n3)nc(O)c2c1C 578378242 VQZDLPYNYQSMMQ-UHFFFAOYSA-N 425.470 4.222 5 20 IIBD COc1cc(C(=O)Nc2ccc(N(C(C)=O)[C@@H]3C[C@H]3C)cc2)c([N+](=O)[O-])cc1OC(F)F 579162473 RBDUAHFXRKCKLS-BDJLRTHQSA-N 449.410 4.218 5 20 IIBD O=C(Nc1ccccc1N1CCc2ccccc21)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 603588773 OLGCZDCRMOFJMX-UHFFFAOYSA-N 426.436 4.122 5 20 IIBD O=c1c2c(-c3ccccc3)csc2ncn1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 603677596 ULLVEWKACAFYEF-UHFFFAOYSA-N 431.433 4.132 5 20 IIBD Cc1nc(-c2ccccc2)[nH]c1C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 603832857 YFNKLUYPNMRCAY-GOSISDBHSA-N 436.468 4.106 5 20 IIBD CCOc1ccccc1CN(CCCn1ccnc1)C(=O)c1ccc([N+](=O)[O-])cc1F 603950795 FUXFKBSDIFPOPN-UHFFFAOYSA-N 426.448 4.062 5 20 IIBD O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCc1cccc([N+](=O)[O-])c1 604470636 KDIMYUYZIIKMSJ-OAQYLSRUSA-N 437.883 4.426 5 20 IIBD CCN(C[C@H]1COc2ccccc2O1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 604515975 CLAFRYLMCCVWAJ-INIZCTEOSA-N 425.466 4.020 5 20 IIBD COc1cc(CNC2CCN(CC(F)F)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 608782187 MFOJSSIALZYTLT-UHFFFAOYSA-N 435.471 4.002 5 20 IIBD O=C(Nc1ccc(Sc2nncs2)c(Cl)c1)c1n[nH]c2ccc([N+](=O)[O-])cc12 609111463 JKQBXEJDQFVAMF-UHFFFAOYSA-N 432.874 4.380 5 20 IIBD O=C(N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1cc([N+](=O)[O-])cc2c1OCCO2 609330902 HRBUTFSNLSNQEJ-QHCPKHFHSA-N 446.459 4.210 5 20 IIBD C[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])Sc1ccc(Br)cc1 609463465 KLJOBVLHOUZOTA-LBPRGKRZSA-N 425.304 4.033 5 20 IIBD Cc1cc(-c2csc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)n2)c(C)o1 609501197 XQPUHPSFQCYXSS-AWEZNQCLSA-N 446.510 4.233 5 20 IIBD Cc1ccc(-c2csc(NC(=O)CCN3C(=O)CCc4ccccc43)n2)cc1[N+](=O)[O-] 609967363 VOTVCQRFDZUYCH-UHFFFAOYSA-N 436.493 4.335 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cnc(-c2ccc3c(c2)OCO3)s1 610047245 UZVKCRRMMSEQHI-UHFFFAOYSA-N 425.466 4.200 5 20 IIBD O=C(Nc1nc2c(s1)CCN(Cc1ccccc1)C2)c1ccc([N+](=O)[O-])c2cccnc12 611224795 UDUKXDXPHOCKOM-UHFFFAOYSA-N 445.504 4.410 5 20 IIBD COC(=O)[C@@H]1CCCCCN1C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 611581233 OHJRYLNLYFVPKW-AWEZNQCLSA-N 435.527 4.069 5 20 IIBD O=C1CN(CN(Cc2ccc(C(F)(F)F)cc2)C2CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 726584965 MXRQBZSVAYABSL-UHFFFAOYSA-N 448.401 4.004 5 20 IIBD COc1cc(Cl)ccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727330282 POZWXISAHIVVFI-UHFFFAOYSA-N 443.809 4.238 5 20 IIBD CCOc1ccc(-c2nc(COC(=O)Cc3ccc(OC)c([N+](=O)[O-])c3)cs2)cc1 727663247 DBRYYDJWALGTFB-UHFFFAOYSA-N 428.466 4.412 5 20 IIBD CSCCc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)cc1 727671880 UMLIMKUZDLXDFK-UHFFFAOYSA-N 431.333 4.064 5 20 IIBD COCCSc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1 728832071 ZYQRUTJYBBRXPO-AWEZNQCLSA-N 433.486 4.349 5 20 IIBD Cc1nc(COc2ccccc2C(=O)OCc2cc([N+](=O)[O-])ccc2OC(C)C)no1 729113696 MHOQEDGBXHUJNY-UHFFFAOYSA-N 427.413 4.009 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)CCC(=O)c1ccc2c(c1)OCCCO2 729116230 JKXCDSHLSLPXEP-UHFFFAOYSA-N 443.452 4.250 5 20 IIBD O=Cc1ccc(OCC(=O)Nc2ccc3[nH]c(-c4ccc(F)cc4)nc3c2)c([N+](=O)[O-])c1 731609677 UNGXZURKHZOBKP-UHFFFAOYSA-N 434.383 4.107 5 20 IIBD Cc1c(C(=O)NCC2(N[C@@H](C)c3ccccc3)CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 731833912 KZROJYRIXCHQID-INIZCTEOSA-N 426.473 4.205 5 20 IIBD Cc1nc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)sc1-c1ccccc1 731969528 MWGDTAHXGIRCNK-CQSZACIVSA-N 442.522 4.332 5 20 IIBD O=C(OCc1ccc(Cl)c2cccnc12)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 733557248 LRWCYRKFIGAUSV-HNNXBMFYSA-N 445.884 4.206 5 20 IIBD C[C@H](OC(=O)[C@@H](C)Oc1ccc(F)cc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 733565956 XLPAXBMQSUXSFU-VHSXEESVSA-N 445.230 4.378 5 20 IIBD COc1cc(OC)cc([C@H](O)CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)c1 735676615 VXFIVWDAFQIGBB-JOCHJYFZSA-N 442.443 4.367 5 20 IIBD COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 735992109 SCPUOLMGRJJVDG-QGZVFWFLSA-N 435.864 4.461 5 20 IIBD O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 741997016 IRAJQXJNSLIYAR-KBAYOESNSA-N 444.509 4.061 5 20 IIBD CC(C)NC(=O)c1ccc(N[C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 742418856 XFJXMNXATSCSNG-DLBZAZTESA-N 434.537 4.228 5 20 IIBD O=C(OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])[C@@H]1C[C@]12CCCc1ccccc12 744118313 YSMLBNFCCZKFRV-HMHJJOSWSA-N 434.492 4.037 5 20 IIBD O=C(O[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccc(Cl)c([N+](=O)[O-])c1 744476211 UXEJJJFVGBZYSY-MRXNPFEDSA-N 440.786 4.202 5 20 IIBD C[C@H](OC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 745497526 VQQZXIZSVTVVJU-NSHDSACASA-N 449.410 4.042 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc2cc(C(F)(F)F)ccc2n1C 745625340 BMFGTJHBDKOSHV-UHFFFAOYSA-N 435.358 4.209 5 20 IIBD Cc1ccc(-c2nnc(S)n2CCC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 747450958 VKEVBFAZBKDWSL-UHFFFAOYSA-N 437.525 4.032 5 20 IIBD C[C@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 747962382 OJLDRECUDDWNTH-AYMQEEERSA-N 431.514 4.205 5 20 IIBD O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc(Cl)ccc1OC(F)F 748916486 GKGKRPNYENTKPS-UHFFFAOYSA-N 425.731 4.257 5 20 IIBD Cc1c(C(=O)O[C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748946907 JXYKYWBNCDZRFK-UKRRQHHQSA-N 447.469 4.090 5 20 IIBD Cc1c(C(=O)OCC(=O)N[C@H](CC(C)C)c2ccccc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748951976 UACIMFHNXWCTCN-GOSISDBHSA-N 443.456 4.180 5 20 IIBD CCCOc1ccc(-c2nc(C(=O)OCC(=O)Nc3ccccc3[N+](=O)[O-])cs2)cc1 750274824 IHEQWFKDQCTOOU-UHFFFAOYSA-N 441.465 4.303 5 20 IIBD COc1ccc(OCCCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cc1 750853737 HODBQIOVFGRDEX-UHFFFAOYSA-N 443.681 4.218 5 20 IIBD C[C@@H](O)CN(Cc1ccccc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 750885822 DOTSGXWJYFWPAX-LLVKDONJSA-N 427.682 4.034 5 20 IIBD CC1CCN(C(=O)c2ccccc2NC(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 751097344 JXGZMFKNPWJDRL-UHFFFAOYSA-N 446.301 4.482 5 20 IIBD O=C(Nc1cccc(C2SCCS2)c1)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 751220227 UVKUBJBPUQPYCL-UHFFFAOYSA-N 449.466 4.005 5 20 IIBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CCC(c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] 752458190 LWVYWEIBBUTCBE-QFIPXVFZSA-N 439.487 4.053 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1OC 755865707 BCWICSHWYGDDMP-FUHWJXTLSA-N 428.485 4.070 5 20 IIBD C[C@H](CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nccs1 756687396 WDNXYFBWXPLYHC-GFCCVEGCSA-N 444.900 4.491 5 20 IIBD CC[C@@H]1CN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@@H]1NC(=O)OC(C)(C)C 756956174 VDICBHGTYGZYRW-APWZRJJASA-N 441.532 4.490 5 20 IIBD O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)NCc1cc([N+](=O)[O-])ccc1Cl 756999208 XSYYZKPFUYCIJG-OAHLLOKOSA-N 426.281 4.021 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1cccc(Oc2ccccc2)c1 757276267 NQSXAOREHZZQGH-UHFFFAOYSA-N 425.828 4.295 5 20 IIBD Cc1ccc(-c2nsc(NC(=O)c3cccc([N+](=O)[O-])c3Br)n2)s1 758254574 RXZYSTNKGQTCHP-UHFFFAOYSA-N 425.289 4.498 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(Cl)cc1C(=O)NCC1CC1 759152674 FLOYEAJNDMHCMG-UHFFFAOYSA-N 426.860 4.051 5 20 IIBD C/C(=C\c1cccc(Cl)c1)C(=O)N(C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 759216949 QQTQLXPBHKEVFK-DHZHZOJOSA-N 429.281 4.152 5 20 IIBD O=c1c2ccccc2nc(SCc2ccc(Cl)c([N+](=O)[O-])c2)n1C[C@@H]1CCCO1 760150860 RNEIUVDKLXFTJR-AWEZNQCLSA-N 431.901 4.429 5 20 IIBD O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1COc2ccc(Br)cc21 760542250 KQCUANNMBXGZAA-MRXNPFEDSA-N 445.225 4.232 5 20 IIBD O=[N+]([O-])c1cc(-c2nc(Cc3ccc(OCc4cccnc4)cc3)no2)cc([N+](=O)[O-])c1 761667753 WDVDFAVWTFTTJZ-UHFFFAOYSA-N 433.380 4.118 5 20 IIBD O=C(OCc1nnc(-c2ccc(Br)o2)o1)c1ccc([N+](=O)[O-])c(Cl)c1 763717762 QVXQRCFGIWUFFQ-UHFFFAOYSA-N 428.582 4.011 5 20 IIBD CON(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@H]1CCCOc2ccccc21 764392041 BTFHGMZIGNZERG-QHCPKHFHSA-N 428.488 4.459 5 20 IIBD CCOC(=O)C1CCN(C(=O)c2ccc(NCc3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1 764615724 HICNHTVHTFUCNV-UHFFFAOYSA-N 445.903 4.276 5 20 IIBD CN(CC(=O)Nc1ccccc1Cl)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 765000571 MTPBLTRZFNUBHJ-UHFFFAOYSA-N 426.860 4.297 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NC[C@@H](O)c2cccc(C)c2)c([N+](=O)[O-])c1 767813539 BRRSALSPIAJWHG-JOCHJYFZSA-N 434.448 4.066 5 20 IIBD O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCC(O)(c2ccccc2)CC1 768586987 JDTJKGRCUZJTCB-UHFFFAOYSA-N 431.492 4.331 5 20 IIBD COc1ccc(COCc2cccc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)c2)cc1 768881601 CAAOGKVOFHRLBC-UHFFFAOYSA-N 434.495 4.183 5 20 IIBD COc1ccccc1[C@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccco1 769759147 YHJSUEIYLNQXAB-SFHVURJKSA-N 431.242 4.478 5 20 IIBD O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 770008258 ULOFOMCVCMFTBY-NSHDSACASA-N 438.271 4.179 5 20 IIBD COC(=O)Nc1ccc(CNC(=O)CNc2cc([N+](=O)[O-])ccc2Nc2ccccc2)cc1 772901278 DXKZMPYGWXYZKC-UHFFFAOYSA-N 449.467 4.245 5 20 IIBD Cc1nc(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])sc1Cc1c(F)cccc1F 773525436 QHJLIRGWQDMTQB-UHFFFAOYSA-N 447.419 4.059 5 20 IIBD CN(C)c1cc(F)c(C(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)cc1[N+](=O)[O-] 774003665 NWCKDRHXFMGNBG-QFIPXVFZSA-N 433.443 4.196 5 20 IIBD CC(C)(C)OC(=O)N1CCc2ncc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])cc2C1 774020393 AYTGUPYXKQCDPL-UHFFFAOYSA-N 432.864 4.189 5 20 IIBD Cc1cc(N2C(=O)c3ccccc3C2=O)ccc1C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 774221290 XVHYIUIHPHTYOQ-UHFFFAOYSA-N 441.443 4.215 5 20 IIBD CN(c1ccccc1)c1ccc(CNCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1[N+](=O)[O-] 775179783 QWNJIZDDEMSWQS-UHFFFAOYSA-N 432.440 4.437 5 20 IIBD CC(C)(C)OC(=O)Nc1cccc2c1N(C(=O)c1ccn(-c3cccc([N+](=O)[O-])c3)n1)CC2 775298743 WBMHTOXLSVCUKO-UHFFFAOYSA-N 449.467 4.330 5 20 IIBD CCc1nc(C(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])nn1-c1ccccc1 776139976 XGSQPVQPIWYXHJ-NRFANRHFSA-N 429.436 4.079 5 20 IIBD COC(=O)N1CCC([C@H](C)NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 776941269 XJMNPQIDRJFAAU-HNNXBMFYSA-N 442.472 4.376 5 20 IIBD Cc1c(Br)ccc(N)c1C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 778345793 HSBHKPMSEPXYAQ-SNVBAGLBSA-N 447.245 4.216 5 20 IIBD Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 779569071 CDGJTRTYNXIHFY-JQCPSUHGSA-N 432.480 4.011 5 20 IIBD O=C(OCC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)c1cc(O)cc([N+](=O)[O-])c1 780066967 DTWBBYKGOXETDK-KRWDZBQOSA-N 439.251 4.128 5 20 IIBD COc1cc(COC(=O)[C@H](C)c2c(F)cccc2F)c([N+](=O)[O-])cc1OCC(F)F 780078683 PSFQVGFUHJJQCC-SNVBAGLBSA-N 431.338 4.372 5 20 IIBD C[C@@H](OC(=O)[C@@H](c1cccc(Cl)c1)N(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 780101350 AIUSJGRMAPMXSC-PIGZYNQJSA-N 440.283 4.075 5 20 IIBD CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 780485138 VYAGSYKARUCJFG-KRWDZBQOSA-N 435.524 4.201 5 20 IIBD Cc1ccc([C@H](C)NC(=O)COC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1C 781267423 HPHUVCOKFUMRHB-KRWDZBQOSA-N 428.488 4.332 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 781363003 OXRFDYIPEWRUKY-OAHLLOKOSA-N 446.529 4.238 5 20 IIBD Cc1cccc(CN(Cc2ccccn2)C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c1 781965098 IHOFJCACMQRASD-HSZRJFAPSA-N 430.464 4.020 5 20 IIBD O=C(Nc1cccc(CN2CCSCC2)c1)c1cccc([N+](=O)[O-])c1Br 782168133 ZCAWCTBWFYYAKR-UHFFFAOYSA-N 436.331 4.158 5 20 IIBD O=C(Nc1ccccc1C(=O)OCCO[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1Cl 787584909 LUIVHNTYBWZQHM-LJQANCHMSA-N 448.859 4.201 5 20 IIBD COc1ccc(N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1OCC(=O)NC1CC1 788589052 KLPMGDQPRKXKKV-LJQANCHMSA-N 425.485 4.095 5 20 IIBD CCNC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1C 790125817 VTWBRPGTEDHLFD-UHFFFAOYSA-N 425.489 4.287 5 20 IIBD COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 790278066 YWZPASRIPROMIL-SNVBAGLBSA-N 432.786 4.092 5 20 IIBD CN(C)c1cc(F)c(C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)cc1[N+](=O)[O-] 791378290 IQEUUSHYNDGQHG-UHFFFAOYSA-N 428.395 4.165 5 20 IIBD COc1cc(C(=O)OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc([N+](=O)[O-])c1C 791691385 GNFYDINTXHORAZ-UHFFFAOYSA-N 446.765 4.380 5 20 IIBD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1cccc2cc(Br)cnc12 795367544 OWVUHTCCTUYYLJ-UHFFFAOYSA-N 442.678 4.360 5 20 IIBD CN(CC(=O)O[C@@H](c1ccccn1)C(F)(F)F)c1cc(Br)ccc1[N+](=O)[O-] 797160808 OBJYJUNYJYBNAT-HNNXBMFYSA-N 448.195 4.035 5 20 IIBD CCCN(Cc1c(F)cccc1Cl)C(=O)C(=O)Nc1c(F)ccc([N+](=O)[O-])c1C 800602512 TWFNHYVQWNVLKT-UHFFFAOYSA-N 425.819 4.212 5 20 IIBD COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(I)c2)c(Cl)c1 801700599 QYKWEARESAIDIH-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD CC(C)c1nc(COC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)co1 802971356 MSWNJFYPBPJMTF-UHFFFAOYSA-N 437.452 4.360 5 20 IIBD C[C@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@@H]1CNC(=O)OC(C)(C)C 809920446 ZNLWCFUXNJLIQN-SWLSCSKDSA-N 426.901 4.405 5 20 IIBD CCOC(=O)c1sc2ncn(Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])c(=O)c2c1C 809949541 QTGZVCVSYBAAEQ-UHFFFAOYSA-N 442.280 4.206 5 20 IIBD COc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1OC 811374895 QLEOFLNDZMYTSN-VIFPVBQESA-N 443.239 4.103 5 20 IIBD O=C(COC(=O)c1c(F)cc(C(F)(F)F)cc1F)Nc1ccc([N+](=O)[O-])cc1Cl 811418981 WCKSWCWQNMQATF-UHFFFAOYSA-N 438.692 4.341 5 20 IIBD COc1cc(CN2CCC([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c([N+](=O)[O-])cc1OC 811517312 NYHNAVJWRVJDKN-QGZVFWFLSA-N 449.548 4.081 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 915751414 MVOJHQTUIRFLJQ-CYBMUJFWSA-N 426.281 4.193 5 20 IIBD CC1CCN(c2ccc(C(=O)OCC(=O)N(C)[C@@H](C)c3ccccc3)cc2[N+](=O)[O-])CC1 917222211 UFAZNZZNCWSRBS-SFHVURJKSA-N 439.512 4.208 5 20 IIBD CCc1oc2ccccc2c1CN(C)C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 918558040 MFMRGVUOTBAVFN-AWEZNQCLSA-N 439.443 4.054 5 20 IIBD O=C(OCC[C@H]1CCCCN1C(=O)Cc1c[nH]c2ccccc12)c1cccc([N+](=O)[O-])c1 918637438 KVGXDAWPHIQSPS-LJQANCHMSA-N 435.480 4.247 5 20 IIBD C[C@@H](Sc1ccc(Cl)cc1)C(=O)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 920147103 FKVVJACQDSZCBF-LLVKDONJSA-N 443.308 4.355 5 20 IIBD COc1cc(OC)cc([C@@H](O)CNCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c1 1116093813 CDOUFIXHBKHBGU-FQEVSTJZSA-N 432.860 4.349 5 20 IIBD C[C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)c1ccc(F)c(F)c1 1318692020 PYQZYHCPGGKLDV-LBPRGKRZSA-N 443.372 4.344 5 20 IIBD CC(=O)N1Cc2ccc(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)cc2C1 1320823298 OSIWBSLJUIAXFV-UHFFFAOYSA-N 433.414 4.074 5 20 IIBD Cn1nc(-c2nnc(-c3cc([N+](=O)[O-])ccc3Oc3ccccc3)o2)c2ccccc2c1=O 1322262529 YJTZBINOOBXUJX-UHFFFAOYSA-N 441.403 4.351 5 20 IIBD Nc1c(C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)cc(Br)cc1[N+](=O)[O-] 1344693687 SZIMHJHAYDWVMJ-UHFFFAOYSA-N 443.301 4.441 5 20 IIBD Cc1ccc(OC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c2c1[C@H](C)CC2=O 1515158410 MYFIUOKFTLKELH-GFCCVEGCSA-N 438.465 4.092 5 20 IIBD CC1=C(C(=O)Nc2ccc(C3(NC(=O)CCc4cccc([N+](=O)[O-])c4)CCC3)cc2)CCO1 1788324552 JUZYMFZKRYQVIT-UHFFFAOYSA-N 449.507 4.356 5 20 IIBD Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])[nH]4)cc3)CCC2)cn1 1790184193 ANOYFNXHICXRMZ-UHFFFAOYSA-N 447.495 4.007 5 20 IIBD Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCC(F)(F)F)cc(Cl)cc1[N+](=O)[O-] 1795835467 DRUOORTWBLQEFP-BTTYYORXSA-N 447.841 4.151 5 20 IIBD Cc1occc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1825909817 WIXSCVBTUQYWOA-NRFANRHFSA-N 443.475 4.182 5 20 IIBD CCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 1830615447 FOOFEZBCHVFARD-HXUWFJFHSA-N 433.524 4.403 5 20 IIBD CCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1831387575 OFESZTLFOXLILX-FQEVSTJZSA-N 433.524 4.403 5 20 IIBD CCOc1c(Cl)cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1OC 9615415 FLTDMOMBULQLAO-UHFFFAOYSA-N 443.239 4.104 5 20 IIBD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1ccc(Br)cc1Cl 9653203 GHGAESCWUBDONZ-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD Cc1c(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)cccc1[N+](=O)[O-] 9929126 LFFLKAVEXPSWBZ-UHFFFAOYSA-N 435.465 4.475 5 20 IIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2nc(C)sc2c1 10783959 USUCUBSZDUMWJZ-KRWDZBQOSA-N 444.538 4.003 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(Br)cc1Br 11035464 YRTYBTUMJUURAK-UHFFFAOYSA-N 444.079 4.446 5 20 IIBD O=[N+]([O-])c1ccc(-c2nnc(CSc3ncnc4c3cnn4-c3ccc(F)cc3)o2)cc1 13294817 JFNLLWHNQIXHQU-UHFFFAOYSA-N 449.427 4.205 5 20 IIBD CC(C)OC(=O)C[C@H](NC(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1[N+](=O)[O-] 14376252 BHWIEBMHSDOAOF-INIZCTEOSA-N 440.374 4.306 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1[N+](=O)[O-] 16026734 RWPLRXAMUGXGRT-UHFFFAOYSA-N 438.494 4.250 5 20 IIBD COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 16490038 ZUCYBTBHEQSYPH-QGZVFWFLSA-N 446.257 4.075 5 20 IIBD CC(C)c1ccc([C@@H](NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)C)cc1 17370747 AFSZSZMFZQCUON-NRFANRHFSA-N 429.542 4.423 5 20 IIBD COCc1c(C(=O)O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])sc2cccc(F)c12 17937852 ZBEGHUVOPJZGIZ-LLVKDONJSA-N 432.429 4.279 5 20 IIBD Cc1ccc(C(=O)OCC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)cc1[N+](=O)[O-] 18972174 WPQUXEICUKBMFR-HXUWFJFHSA-N 428.441 4.166 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)N(Cc1ccccc1)Cc1ccccc1 19284900 QHVHZWGIYGRXRZ-SFHVURJKSA-N 448.475 4.378 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(COc2ccc(F)cc2)o1 24908686 IQSCMITXJLVIRJ-UHFFFAOYSA-N 428.372 4.010 5 20 IIBD O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 28415906 PPLKCBKHZIPNQI-SFHVURJKSA-N 437.924 4.433 5 20 IIBD O=C(c1nc(-c2ccccc2)n2c1CCCCC2)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 57569277 MTBDGLWAVZKHDS-UHFFFAOYSA-N 445.523 4.147 5 20 IIBD CCc1noc([C@H](C)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)n1 59386018 RAEHRLTVWKIKMO-HNNXBMFYSA-N 427.530 4.148 5 20 IIBD COc1ccc(C(=O)N[C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1[N+](=O)[O-] 59812689 WDJFXKDIPVATPS-CQSZACIVSA-N 437.427 4.486 5 20 IIBD C[C@@H](Nc1ccc(C(=O)NCc2ccc(-n3cccn3)cc2)cc1[N+](=O)[O-])c1ccccn1 64880332 HNHIOOACSITUQN-QGZVFWFLSA-N 442.479 4.279 5 20 IIBD Cc1cccc(Oc2ccc(NC(=O)Cn3cnc4ccc([N+](=O)[O-])cc4c3=O)cc2)c1 72104005 XBUVONSKGZYNGB-UHFFFAOYSA-N 430.420 4.044 5 20 IIBD COc1ccc(-c2csc(NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)n2)cc1F 106204616 CWGYBQADNLCRCD-UHFFFAOYSA-N 439.428 4.304 5 20 IIBD CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 217734509 KDRXYVLNENOHPT-AWEZNQCLSA-N 442.472 4.308 5 20 IIBD Cc1nn(Cc2ccc(C(=O)N(CCN(C)C)CC3CCCCC3)cc2)c(C)c1[N+](=O)[O-] 261451176 WRWUEURZUKRRTE-UHFFFAOYSA-N 441.576 4.041 5 20 IIBD Cc1cc(C)c2nc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)sc2c1 303427840 DYOFDTDVXRHPIS-LBPRGKRZSA-N 430.511 4.126 5 20 IIBD O=C(CCSc1cc(C(=O)NC2CC2)c2ccccc2n1)Nc1ccccc1[N+](=O)[O-] 409865880 UOPHSBGNAUWFBJ-UHFFFAOYSA-N 436.493 4.156 5 20 IIBD O=C(NCCn1cc([N+](=O)[O-])cn1)Nc1ccc(Oc2ccccc2C(F)(F)F)cc1 426119419 JQVPEXWNLWCSKO-UHFFFAOYSA-N 435.362 4.424 5 20 IIBD CCOc1cc(NC(=O)c2cnc(OCc3ccccc3)cn2)c([N+](=O)[O-])cc1OCC 428295694 LWGNJQLJTDCGQH-UHFFFAOYSA-N 438.440 4.014 5 20 IIBD CCCc1c(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cnn1-c1ccccc1C 429278802 YYBWMXHTHUMTSC-UHFFFAOYSA-N 430.468 4.479 5 20 IIBD CC(C)n1cnnc1CN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 430196910 NJIIEOGBMZXXHS-UHFFFAOYSA-N 434.294 4.422 5 20 IIBD Cc1c(NC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc(Br)cc1[N+](=O)[O-] 431224310 NLFXDPHAURHNET-UKRRQHHQSA-N 446.301 4.214 5 20 IIBD O=C(c1cc2ccccc2s1)N1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 434014421 XDKNJOPAGCOTAI-UHFFFAOYSA-N 429.885 4.061 5 20 IIBD CCOc1cc(CS(=O)(=O)Cc2csc(-c3ccccc3OC)n2)ccc1[N+](=O)[O-] 434639274 XVNHHYCJRWWCOF-UHFFFAOYSA-N 448.522 4.241 5 20 IIBD Cc1nc(C(=O)N(C)C)ccc1C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 435443695 PEGVJLUNYFBFNR-UHFFFAOYSA-N 442.522 4.465 5 20 IIBD COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 437824267 UAIQNQSZDGYLBP-HNNXBMFYSA-N 445.541 4.338 5 20 IIBD CC(C)c1ccc(C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)cc1[N+](=O)[O-] 438962587 GMRJQDZUPTUYNL-UHFFFAOYSA-N 443.481 4.042 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](CCO)c1ccccc1Br 439910554 HQHFGBCNWFAJJX-HNNXBMFYSA-N 438.278 4.001 5 20 IIBD CC(=O)c1ccc(OCC(=O)N(CCc2ccccc2)Cc2ccccc2)c([N+](=O)[O-])c1 440822543 KMPNNHGJAPAAOR-UHFFFAOYSA-N 432.476 4.448 5 20 IIBD CCCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)OC 442594272 CKIBECVJTOWHNI-UHFFFAOYSA-N 446.403 4.006 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCN(CCOc2ccccc2Cl)CC1 443944437 HXLQBIMONWAULA-UHFFFAOYSA-N 432.908 4.094 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 443948576 NKTWWWFAIHGCOQ-INIZCTEOSA-N 439.516 4.351 5 20 IIBD C[C@@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1noc(-c2ccccc2)n1 444230611 ZEBSLSSRBHLRRX-CYBMUJFWSA-N 428.423 4.361 5 20 IIBD C[C@H](NC(C)(C)CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 446188774 MYHRBMRHWXNWBB-AWEZNQCLSA-N 434.334 4.145 5 20 IIBD Cc1cc(Oc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2)n[nH]1 446988715 ZVKJPHNZNBLFMG-UHFFFAOYSA-N 442.375 4.238 5 20 IIBD O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccc(Br)cc1N1CCOCC1)CCC2 447587986 SCIGLZXECFXCRI-FQEVSTJZSA-N 446.345 4.361 5 20 IIBD COc1cc(OC)cc(-c2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)c1 461215158 BMTSDEVCMISVNU-UHFFFAOYSA-N 449.872 4.128 5 20 IIBD C[C@H](Nc1ccc(C(=O)N2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1[N+](=O)[O-])c1ccccn1 461322209 BXSBQNDBIRRPCN-USCONSEESA-N 436.512 4.337 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 462770710 XYNBIOSZWLFULG-OXQOHEQNSA-N 434.439 4.365 5 20 IIBD O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC(n2c(O)nc3ccccc32)CC1 463298329 WJAXWBQFCSLXEV-UHFFFAOYSA-N 434.374 4.146 5 20 IIBD O=C(CNC(=O)c1cc2ccccc2[nH]1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 463724154 AVILZNCIQHZCIT-UHFFFAOYSA-N 430.420 4.237 5 20 IIBD C[C@@H]([C@@H](C)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1CCOCC1 467514572 XPTQMCWLYUGMSJ-CABCVRRESA-N 449.960 4.238 5 20 IIBD O=C(Nc1cccc(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1)c1cccs1 470627553 QDRKTPMXPVJQAQ-UHFFFAOYSA-N 438.465 4.204 5 20 IIBD Cc1csc(Sc2ccc(C(=O)Nc3ccc(C(N)=O)cc3F)cc2[N+](=O)[O-])n1 471129353 BJTYEJXGLYKOIS-UHFFFAOYSA-N 432.458 4.001 5 20 IIBD O=[N+]([O-])c1ccc(OC(F)F)c(NCc2nnc(-c3ccc(Br)o3)o2)c1 471612748 OFXYRPUFLAZLNA-UHFFFAOYSA-N 431.149 4.214 5 20 IIBD O=C(Nc1cccnc1)c1ccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 477294164 SNWOLMSDCSISHP-UHFFFAOYSA-N 432.461 4.387 5 20 IIBD Cc1cc(C)c(-c2csc(NC(=O)Cn3cc([N+](=O)[O-])cc(Cl)c3=O)n2)cc1C 477534689 ZXZOSEUGLRZUJB-UHFFFAOYSA-N 432.889 4.097 5 20 IIBD CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 478064168 JTEPENTZORKSJY-UHFFFAOYSA-N 439.390 4.031 5 20 IIBD COc1ccc(CSCC(=O)N2CCC(CCN3CCCC[C@@H]3C)CC2)cc1[N+](=O)[O-] 478631290 KJNXYTQBWSHCGX-SFHVURJKSA-N 449.617 4.340 5 20 IIBD O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 479244111 KZJHAZOZXZSFFL-OAHLLOKOSA-N 443.656 4.364 5 20 IIBD C[C@H]1CCCCN1Cc1ccccc1CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 481655981 JEGJCAMEMFMDKR-SFHVURJKSA-N 433.512 4.085 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@H](c1cc(F)cc(Br)c1)C1CC1 482173236 AAIUJROZUVWBLY-SFHVURJKSA-N 425.229 4.446 5 20 IIBD CCS[C@@H](C)c1noc(CN(C)C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)n1 482754369 JTFDXQRCPIJTIW-HNNXBMFYSA-N 447.561 4.300 5 20 IIBD CCCCN(C)C(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)CC1 483152262 MMXKLAIWWLOVLD-UHFFFAOYSA-N 435.590 4.454 5 20 IIBD Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2I)cc1-c1ncco1 483369370 PDWRSESRUZLGIL-UHFFFAOYSA-N 449.204 4.415 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C)cc2OC[C@H]2CCCO2)cc1SC 483376780 OOEYELVSSQCBLC-CQSZACIVSA-N 432.498 4.444 5 20 IIBD CCc1c(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cnn1-c1ccccc1OC 486711871 QDNGWGGOZYMILD-UHFFFAOYSA-N 448.401 4.300 5 20 IIBD COC(=O)c1cc(NC(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)c(C)c([N+](=O)[O-])c1 486889347 ZXXZSTQBBFFFQA-GOSISDBHSA-N 445.447 4.042 5 20 IIBD O=C(Nc1cccc(-c2ccc3c(c2)CCO3)c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 488563263 JEMIYNLENYZBIF-UHFFFAOYSA-N 433.468 4.262 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)NCc2ccccc2CN2C[C@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] 489343424 STDSXNKPHGQFFY-CEXWTWQISA-N 440.544 4.073 5 20 IIBD COc1cc(CNc2cccc(N3CCCCC3=O)c2)c([N+](=O)[O-])cc1OCC(F)F 490432994 MXHXDQGWGARBBR-UHFFFAOYSA-N 435.427 4.376 5 20 IIBD CS(=O)(=O)c1cccc([C@@H](NCCc2ccccc2[N+](=O)[O-])c2ccc(F)cc2F)c1 493276781 MUYIBROQVIQGQI-JOCHJYFZSA-N 446.475 4.198 5 20 IIBD Cc1nncn1-c1cccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c1 497433681 KAUXKUVEMPNHKD-HOTGVXAUSA-N 434.500 4.219 5 20 IIBD CC(C)(C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1ccccc1[N+](=O)[O-] 498217322 SHSBBCNYEYIVFB-INIZCTEOSA-N 436.295 4.101 5 20 IIBD COc1ccc(C[C@H](NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])c2ccc(OC)cc2)cc1 499053833 HRBDHTUPTXYYLQ-QFIPXVFZSA-N 449.507 4.433 5 20 IIBD COc1cc(CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)ccc1OCC(F)(F)F 500723656 WJHRZJOKOVJOCZ-LBPRGKRZSA-N 444.431 4.342 5 20 IIBD O=C(Nc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1)c1cccs1 501791527 FRSJUSKUXPRYLB-UHFFFAOYSA-N 437.886 4.363 5 20 IIBD CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1cc(-c3cccc([N+](=O)[O-])c3)[nH]n1)O[C@@H](C)C2 502970944 QWWNSNJOTFKILQ-IXDGSTSKSA-N 448.479 4.449 5 20 IIBD COC(=O)c1cc(NC(=O)c2sc(-c3ccc(OC)cc3F)nc2C)cc([N+](=O)[O-])c1 503666690 LDXXETOCOHLXRW-UHFFFAOYSA-N 445.428 4.213 5 20 IIBD CCOc1ccc([C@@H](C)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1[N+](=O)[O-] 504928485 BKYQMUAADCBJLH-QGZVFWFLSA-N 447.557 4.019 5 20 IIBD Cc1ccc([C@@H](CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)N2CCCC2)o1 506407416 UIPOKQXEDBDCFL-GOSISDBHSA-N 426.498 4.187 5 20 IIBD Cc1sc(NC(=O)[C@@H](C)NC(=O)CC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 509536833 DIOQRBXWVPSXJH-CYBMUJFWSA-N 430.530 4.440 5 20 IIBD Cn1c(C2CC2)nc2cc(CNC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])ccc21 510670345 WUPRSPGPBBPAHN-UHFFFAOYSA-N 448.401 4.230 5 20 IIBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@H](c1cccc(OC(F)(F)F)c1)C1CC1 511296310 ONOZBYRZQPKDSI-SFHVURJKSA-N 444.431 4.107 5 20 IIBD COc1cc(CNCC2(c3ccccn3)CCC2)c([N+](=O)[O-])cc1OCC(F)(F)F 513002258 WJAPEKJZANKFGU-UHFFFAOYSA-N 425.407 4.151 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)Sc2nnc(C[C@@H](C)c3ccccc3)o2)c([N+](=O)[O-])c1 513324674 HNSBENBLOOKTJZ-ZIAGYGMSSA-N 442.497 4.452 5 20 IIBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H](CCO)c1ccccc1Br 513426867 MRLCUCXNTGXLCL-CQSZACIVSA-N 428.670 4.256 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@H](COc2ccccc2Cl)C1 513875601 CIHGQCUIDOCTDP-MRXNPFEDSA-N 440.887 4.365 5 20 IIBD Cc1c(NC(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cccc1[N+](=O)[O-] 515376703 VJSWMQWHOSFFAG-UHFFFAOYSA-N 437.283 4.200 5 20 IIBD Cc1ccc(-c2csc(NC(=O)CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])n2)cc1C 517450600 JASJJMHKBHOVFY-UHFFFAOYSA-N 444.900 4.357 5 20 IIBD O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 518303691 LKWAMALAVGIFKV-UHFFFAOYSA-N 433.468 4.049 5 20 IIBD COc1cc(CCNC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2Cl)c([N+](=O)[O-])cc1OC 520335497 ZIADQEWUTVHRST-UONOGXRCSA-N 439.295 4.381 5 20 IIBD COc1ccc(-c2ccc(CNC[C@@H](c3ccccc3)N3CCOCC3)o2)c([N+](=O)[O-])c1 520934722 OGEDMAMYBIDUKC-QHCPKHFHSA-N 437.496 4.027 5 20 IIBD COc1ccc(S(=O)(=O)N(Cc2cc(F)ccc2F)c2ccccc2)c([N+](=O)[O-])c1 522627599 PSQGMPZASAAPRE-UHFFFAOYSA-N 434.420 4.277 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(OCC2CCOCC2)cc1 522952894 ARVNPUFWHZGYTH-AWEZNQCLSA-N 434.876 4.460 5 20 IIBD CCN(Cc1ccccc1Cl)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 523223612 MPVTVYGIYVVKEB-HXUWFJFHSA-N 429.904 4.210 5 20 IIBD COc1ccc(CC(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)cc1[N+](=O)[O-] 523964050 NOBMKZFIHBTABU-PMERELPUSA-N 430.526 4.366 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@H]3CCC[C@@H](C)C3)cc2)cc1[N+](=O)[O-] 525522820 BROUBFGZJANBLK-ZBFHGGJFSA-N 431.514 4.469 5 20 IIBD CCOc1cc(N2CCN(C(=O)c3ccnc(Oc4ccccc4)c3)CC2)ccc1[N+](=O)[O-] 530303013 GHYFZBWSUSMSLD-UHFFFAOYSA-N 448.479 4.143 5 20 IIBD CC[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)[C@@H](c1ccc(C)cc1)n1cncn1 534419623 XMAJFPBXTCGNLS-IAGOWNOFSA-N 431.294 4.132 5 20 IIBD C[C@H]1C[C@H](NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 535053504 IMLMATIJFZTVHA-XEMDLRDOSA-N 434.496 4.062 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1SCCc2ccccc21 535665502 IFFVEQDKGJUICD-IBGZPJMESA-N 446.550 4.010 5 20 IIBD CN(C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 535804610 LVEXDGYGVYLSTN-RFWXGWTQSA-N 429.492 4.210 5 20 IIBD COCCOc1c(Cl)cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl 536906076 QCJMOFVLXLOZGI-UHFFFAOYSA-N 435.285 4.036 5 20 IIBD C[C@@H]1CC(C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)C[C@@H](C)O1 538741914 WUDGMZIQFARSBK-IAGOWNOFSA-N 443.569 4.171 5 20 IIBD COC[C@@H](C)n1c(SCC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)nnc1-c1ccccc1 540751269 ZRNZLYLHSNJJTK-OAHLLOKOSA-N 441.513 4.100 5 20 IIBD O=[N+]([O-])c1ccccc1NCCc1noc(Cc2csc(Cc3ccc(F)cc3)n2)n1 544532638 NKHIJMLVQKAYMQ-UHFFFAOYSA-N 439.472 4.410 5 20 IIBD Cc1ccc(-c2noc(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)n2)c(Br)c1 544768699 WQOFUSIJVYUMOH-UHFFFAOYSA-N 432.230 4.078 5 20 IIBD Cn1c(SCc2csc(-c3ccccc3F)n2)nc2cc([N+](=O)[O-])ccc2c1=O 545111018 ATDWLVZSXGHCIB-UHFFFAOYSA-N 428.470 4.397 5 20 IIBD COc1ccc(CSCc2nc(-c3ccc(OCC(F)F)nc3)no2)cc1[N+](=O)[O-] 545848108 RZKLUHSAJSBFLN-UHFFFAOYSA-N 438.412 4.126 5 20 IIBD CCO[C@@H]1C[C@@H](Nc2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])[C@]12CCCO2 546055576 YWVKPKSQFOZKKB-MQSCRBSSSA-N 425.485 4.294 5 20 IIBD CSc1ccc(-c2nc(Cc3nc(O)c4c(C)c(C)sc4n3)no2)cc1[N+](=O)[O-] 546237355 LJOGMGNXCVCQLY-UHFFFAOYSA-N 429.483 4.285 5 20 IIBD COc1ccc(CC(=O)NCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)cc1[N+](=O)[O-] 547339226 HXKZSVOSIHWAPO-KRWDZBQOSA-N 437.521 4.191 5 20 IIBD CC(C)Cn1c(CCCc2ccccc2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 549458536 GATWWQMQOXQOHZ-UHFFFAOYSA-N 437.548 4.056 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCNC1(Cc2ccc(F)cc2Cl)CCOCC1 555697733 VKHQVBMDFWPATJ-UHFFFAOYSA-N 449.910 4.406 5 20 IIBD COc1ccc([C@H](C)NC(=O)Cc2noc(-c3cc4cc([N+](=O)[O-])ccc4s3)n2)cc1 556014780 OUMYJLGXARTTEU-LBPRGKRZSA-N 438.465 4.288 5 20 IIBD CC(C)(C(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1)c1ccccc1[N+](=O)[O-] 559409487 PQKWXHQIOHEKHQ-INIZCTEOSA-N 438.459 4.468 5 20 IIBD CCn1c(SCC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])nnc1-c1ccccc1C 561697873 VYMVEMKHNMXQQS-UHFFFAOYSA-N 439.541 4.325 5 20 IIBD CCC[C@@]1(CO)CCN(c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])C1 564061877 GSJBZTFMNBPKPX-JOCHJYFZSA-N 447.557 4.001 5 20 IIBD Cc1ccc(-c2nnc(Sc3nccc(C(N)=O)c3[N+](=O)[O-])n2-c2ccc(C)cc2)cc1 564558465 MMTHNPUBNDDYOQ-UHFFFAOYSA-N 446.492 4.104 5 20 IIBD CC(C)[C@@H](NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(Cl)cc1F 565736351 GSRBPYFDFKGQBD-HXUWFJFHSA-N 447.894 4.392 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC1(Cc2ccc(F)cc2Cl)CCOCC1 566398704 LKGQQPYDFZVBBF-UHFFFAOYSA-N 445.878 4.319 5 20 IIBD CCN(CC)[C@@H](c1ccccc1)c1nc(Cc2cc(OC)cc(OC)c2[N+](=O)[O-])no1 568327309 UYPGOAFXTARWKI-NRFANRHFSA-N 426.473 4.017 5 20 IIBD CC[C@H](NC(=O)Cc1noc(C(C)(C)c2ccc([N+](=O)[O-])cc2F)n1)c1ccccc1 583961232 QATOEFYSBBILEP-SFHVURJKSA-N 426.448 4.253 5 20 IIBD COc1ccc(S(=O)(=O)Nc2ncc(Cc3ccccc3Cl)s2)c([N+](=O)[O-])c1 591582845 JEHBBZYQRAFXEC-UHFFFAOYSA-N 439.902 4.105 5 20 IIBD Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)Nc1cccc([N+](=O)[O-])c1C 603645631 OAOAHSOQFMNKTJ-UHFFFAOYSA-N 435.278 4.077 5 20 IIBD CC(C)(C)c1ccc(C(=O)NCc2cccc(NC(=O)c3cccnc3)c2)cc1[N+](=O)[O-] 603738278 BOOAQLZQUPUYKJ-UHFFFAOYSA-N 432.480 4.470 5 20 IIBD COC(=O)c1cc2cc(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])ccc2o1 603771212 PWMKHACRMUYSHB-UHFFFAOYSA-N 438.314 4.321 5 20 IIBD CC(=O)Nc1cccc2c1CCCN2C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 603935396 ZLENBCJSERJRPY-UHFFFAOYSA-N 436.512 4.383 5 20 IIBD CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1Cl 603982356 HZRTUYWUUPESMN-UHFFFAOYSA-N 439.921 4.276 5 20 IIBD O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 604025224 IHKRUDFTONXWKL-UHFFFAOYSA-N 431.876 4.328 5 20 IIBD O=C(Nc1ccnn1[C@H]1CCCc2ccccc21)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 604567509 KMEXLBXYSJGRNY-IBGZPJMESA-N 428.452 4.155 5 20 IIBD Cc1cc(F)ccc1N1CCC[C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 604958561 JPRXYWXMCAUJPI-FQEVSTJZSA-N 443.522 4.387 5 20 IIBD Cc1cc(N2CCCC2)ccc1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 609410946 URAHFNCPCQGOGF-UHFFFAOYSA-N 440.319 4.067 5 20 IIBD Cc1nn(-c2ccc(Br)cc2)c(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1C 609871674 JWTDXHJIBWGJBD-UHFFFAOYSA-N 445.273 4.177 5 20 IIBD Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 609908453 ASWGGMVKKBOZQG-SFHVURJKSA-N 433.493 4.259 5 20 IIBD CCCc1[nH]nc(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)c(Cl)c2)c1[N+](=O)[O-] 609987455 DNSSADRVSUNQQP-LBPRGKRZSA-N 433.896 4.191 5 20 IIBD CC(C)c1nccn1Cc1cccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 610032306 HTEAAKHJERZMOH-UHFFFAOYSA-N 434.905 4.417 5 20 IIBD CCOc1cc2c(cc1OCC)CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)CC2 610037409 HFKXKUDGRAEBQH-UHFFFAOYSA-N 449.301 4.353 5 20 IIBD Cc1ccc(NCCCNC(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)c([N+](=O)[O-])c1 610090880 NKTBRJWCBUUTJR-RTWAWAEBSA-N 430.480 4.064 5 20 IIBD COc1cc(C(=O)Nc2c(-c3ccccc3)nc3c(C)cccn23)cc([N+](=O)[O-])c1OC 610168767 GUMZXYYFZLONEW-UHFFFAOYSA-N 432.436 4.487 5 20 IIBD COCCN(C(=O)c1ccc(OC)cc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 610220692 YIBZTXWTRAFPSD-UHFFFAOYSA-N 427.482 4.329 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)c1 610223317 LKHQTDYLAYROLR-UHFFFAOYSA-N 431.514 4.029 5 20 IIBD COc1cccc(Cc2noc(-c3ccc(N[C@H](C)c4ccccn4)c([N+](=O)[O-])c3)n2)n1 612980149 WSBYSOUAUYIOMR-CQSZACIVSA-N 432.440 4.207 5 20 IIBD COC(=O)C(C)(C)[C@H]1CCCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 618585233 QEBQGNFAALPRQT-JTQLQIEISA-N 425.354 4.060 5 20 IIBD CC(C)[C@H](OC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C(N)=O 725918281 HJYDPGHQJISCLQ-RNTFSAEZSA-N 439.493 4.188 5 20 IIBD COc1ccc(NC(=O)COC(=O)[C@H](C)c2c(Cl)cccc2Cl)c([N+](=O)[O-])c1 726030294 OXYXFZYHCROKIF-SNVBAGLBSA-N 427.240 4.196 5 20 IIBD CC1CCN(c2ccc(C(=O)O[C@H](C)C(=O)Nc3ccc(F)cc3F)cc2[N+](=O)[O-])CC1 728948330 JUVRFLJPPSDHQX-CQSZACIVSA-N 447.438 4.293 5 20 IIBD Cc1cc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)c(N)c([N+](=O)[O-])c1 729537535 FXBOSFYJETZBTM-UHFFFAOYSA-N 426.473 4.425 5 20 IIBD O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1csc(-c2ccc(Cl)s2)n1 731515177 PHIDUJLTFLTJSF-CYBMUJFWSA-N 449.897 4.396 5 20 IIBD CC[C@H](OC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccc(OC)cc1 731555969 LQWQTFJNRKGRCT-KRWDZBQOSA-N 428.470 4.191 5 20 IIBD O=C(COC(=O)c1ncoc1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 732577897 LXCNEYVXARGEAI-UHFFFAOYSA-N 435.314 4.064 5 20 IIBD CC(=O)Nc1ccc(C2=N/C(=C\c3csc(-c4cccc([N+](=O)[O-])c4)n3)C(=O)O2)cc1 733085840 IMZCSVMUMWHHOZ-ZDLGFXPLSA-N 434.433 4.021 5 20 IIBD CCCCN1C(=O)N[C@@H](c2csc(-c3cccc([N+](=O)[O-])c3)n2)C(C(=O)OC)=C1C 733122157 WJWVVYDOWWVYFZ-KRWDZBQOSA-N 430.486 4.032 5 20 IIBD O=C(O[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1cc(Cl)ccc1[N+](=O)[O-] 733392961 JKDPRRDZZLBHIG-HNNXBMFYSA-N 428.750 4.229 5 20 IIBD CC[C@H](Nc1ccccc1)C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 733503529 HFWJZDMIRUNSKP-LRDDRELGSA-N 439.390 4.375 5 20 IIBD Cc1c(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 733957428 ZQPJOPOYRVKRPV-UHFFFAOYSA-N 432.396 4.310 5 20 IIBD Cc1ccccc1[C@H]1C[C@@H](C)N(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)C1 737414490 JVULVSWCZDGWBP-MSOLQXFVSA-N 429.542 4.070 5 20 IIBD CCc1ccc([C@@H](C)NC(=O)[C@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 740411121 XCMZLSGMEVKGBU-OLZOCXBDSA-N 449.301 4.342 5 20 IIBD CCOc1ccc(C2(CNc3ccc([N+](=O)[O-])cc3N3CCOC3=O)CCOCC2)cc1 742396029 VRBXOBMLJWDTDE-UHFFFAOYSA-N 441.484 4.110 5 20 IIBD COc1ccc(NC(=O)NCCc2ccccc2[N+](=O)[O-])cc1NC(=O)OC(C)(C)C 743089163 GSSQFLDBKCTKAP-UHFFFAOYSA-N 430.461 4.315 5 20 IIBD COc1ccc(CSCC(=O)OCc2ncc(-c3ccccc3F)o2)cc1[N+](=O)[O-] 744695957 SMOGKVYDHPSUAA-UHFFFAOYSA-N 432.429 4.374 5 20 IIBD CC(C)C(=O)Nc1ccc(Cl)c(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 745186942 QQZSCOOANKYCLG-GFCCVEGCSA-N 433.848 4.027 5 20 IIBD C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccccc1OC(F)F 745569720 ZGVRTSKIVSRFCL-VIFPVBQESA-N 448.300 4.399 5 20 IIBD C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCc2sc(Br)cc2C1 749465856 GRYNWUCBLSEDOT-VIFPVBQESA-N 444.738 4.458 5 20 IIBD CC(C)(C)OC(=O)N1CC[C@@H](COC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 751637455 YSVHHGUOPUJGBK-GFCCVEGCSA-N 430.910 4.141 5 20 IIBD O=C(OCc1ccn(-c2cccc(F)c2)n1)c1cc([N+](=O)[O-])c(Br)cc1F 751691574 UIMDUFGHTKOMON-UHFFFAOYSA-N 438.184 4.178 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N(Cc1ccccc1)C[C@H](O)c1ccco1 752768138 MYZSHLYBKSQYSQ-SFHVURJKSA-N 445.269 4.326 5 20 IIBD CCN(CC)C(=O)c1cccc(OC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1 753168508 KEERWGQLVWGBGL-UHFFFAOYSA-N 435.274 4.367 5 20 IIBD Cc1c(Br)cc(C(=O)N(C)c2ccc(Br)nc2)cc1[N+](=O)[O-] 753183595 XKWUALLHPWPRSL-UHFFFAOYSA-N 429.068 4.100 5 20 IIBD CN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 754708357 CBQRCTZBTZWMKB-QAPCUYQASA-N 437.265 4.489 5 20 IIBD Cc1nc(CC(C)C)c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 756552321 INQSKHLRCCNMNI-SNVBAGLBSA-N 425.894 4.396 5 20 IIBD Cc1ccc(-c2cncc(C(=O)OCCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)c2)cc1 758092824 ZVYBVGCLFARTOQ-UHFFFAOYSA-N 433.420 4.120 5 20 IIBD COc1ccc(C(=O)[C@H](C)OC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])cc1Cl 758444074 BMSGOTKMQAJIML-JTQLQIEISA-N 439.873 4.416 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 758496055 NMLGJZXGZQPVOH-QWHCGFSZSA-N 426.901 4.405 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cnc(Cl)c(Br)c1 759162991 UEURJTRMSMVENX-SSDOTTSWSA-N 435.061 4.465 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H](C[C@H](C)O)c2ccccc2)CC1 759338560 JSGGEBMNEZKEOX-AZUAARDMSA-N 425.529 4.116 5 20 IIBD O=C(O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1csc(COc2ccc(F)cc2)n1 759938876 AHXAJTTYIUDMCB-SJORKVTESA-N 446.460 4.307 5 20 IIBD C[C@H](NC(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1)c1ccc[nH]1 760356861 PMDQGQDHRJEOMG-INIZCTEOSA-N 439.541 4.240 5 20 IIBD O=C(COC(=O)c1ccc(Cl)cc1Br)Nc1ccc(Cl)cc1[N+](=O)[O-] 761279706 GKQRXXKBTISBOE-UHFFFAOYSA-N 448.056 4.460 5 20 IIBD CC(C)(C)OC(=O)NCc1ccc(-c2noc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1 762303473 BPVPDRSXUPUXSU-UHFFFAOYSA-N 441.400 4.245 5 20 IIBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(CC[C@H](O)c2ccccc2)c1 762987740 DIMSLWOWDGJDLY-QHCPKHFHSA-N 447.491 4.020 5 20 IIBD COC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)OC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 763397212 FAEBJASUKPDRIF-SJCJKPOMSA-N 425.359 4.045 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnc(Br)cc1C 764276646 VCWXDVBJPMPGAE-UHFFFAOYSA-N 426.292 4.052 5 20 IIBD COc1cc(COC(=O)Cc2ccc(OCc3ccccn3)cc2)c([N+](=O)[O-])cc1F 766210824 ACEQPMJGYMCTNI-UHFFFAOYSA-N 426.400 4.002 5 20 IIBD O=C(Nc1ccc(F)nc1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 766215191 FXFQTBIFBRRZPY-UHFFFAOYSA-N 441.488 4.207 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)O[C@@H]2CCc3sc(Cl)cc32)cc1OC 766544098 XYLPPUYINXOGCT-CYBMUJFWSA-N 427.862 4.188 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC[C@H]1c1cc(F)cc(Br)c1 767153952 PSQMHXRMWWBUNB-INIZCTEOSA-N 441.228 4.378 5 20 IIBD O=C(C[C@H]1CCCCCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccco1 767871408 ZGPIEEMFESJDQX-CQSZACIVSA-N 426.878 4.048 5 20 IIBD CC(=O)[C@@H](Cc1ccc(F)cc1F)OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 768649333 PZYIOJLEKLSOAT-GOSISDBHSA-N 432.404 4.354 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(OCc2ccncc2)cc1 769891146 IRJJWBIILKNYPZ-UHFFFAOYSA-N 434.857 4.298 5 20 IIBD CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)C2)CC1 773744687 YBYFNYOGFDTKIK-UHFFFAOYSA-N 446.548 4.037 5 20 IIBD C[C@H](CCOC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1c[nH]c2ccccc12 774572396 LEBXOKWBGCUVTG-RDTXWAMCSA-N 441.509 4.479 5 20 IIBD COc1ccc(C(=O)O[C@H]2CCN(c3ccc([N+](=O)[O-])cc3F)C2)cc1-c1ccccn1 778804864 BFQUAINHNYYALH-KRWDZBQOSA-N 437.427 4.240 5 20 IIBD COC(=O)c1ccc2[nH]cc(C(=O)COC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2c1 781146120 YVNVJZQMFQBDQA-UHFFFAOYSA-N 438.417 4.117 5 20 IIBD Cc1cc(COC(=O)Cc2csc(NC(=O)c3ccccc3F)n2)ccc1[N+](=O)[O-] 781171686 DTQMHLHGZRVMEL-UHFFFAOYSA-N 429.429 4.037 5 20 IIBD Cc1ccc(N2CCC[C@H](OC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)C2=O)cc1 781259052 GLEDOQBZVACXDX-QHCPKHFHSA-N 426.472 4.342 5 20 IIBD C[C@H](OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)N[C@@H](C)c1ccc(F)cc1 781261415 ULMMNDNUNZSOQL-GJZGRUSLSA-N 432.451 4.243 5 20 IIBD O=Cc1ccc(OCC(=O)N2CC=C(c3ccc(Cl)c(Cl)c3)CC2)c([N+](=O)[O-])c1 781375269 GOAGOIMTTABTHK-UHFFFAOYSA-N 435.263 4.409 5 20 IIBD O=C(O[C@H](C(=O)N1CCCCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1Br 781675213 BZTVIDSKBLZBJB-SFHVURJKSA-N 447.285 4.268 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 781942471 BWEHPBKUMJUEOG-UHFFFAOYSA-N 438.415 4.372 5 20 IIBD CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1F 782001216 FLJAXGNFTSXOOG-MRXNPFEDSA-N 428.247 4.493 5 20 IIBD CCN(CC1CCN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1)C(=O)OC(C)(C)C 782632668 BAJSGXXOVCNFIJ-UHFFFAOYSA-N 436.509 4.104 5 20 IIBD Cc1cc(F)ccc1-n1ccc(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1 783277567 WQKPIKAENSCNFZ-ZDUSSCGKSA-N 437.387 4.196 5 20 IIBD O=C(COC(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)NC[C@H]1CCCO1 785639805 KKORKYNXTOMCEN-HXUWFJFHSA-N 443.499 4.385 5 20 IIBD Cc1cnc(COC(=O)c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)c(C)c1[N+](=O)[O-] 789438616 RULJLNFPBGVNIA-UHFFFAOYSA-N 427.457 4.214 5 20 IIBD COc1ccc(Cl)cc1CC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 791169026 SWMRQDVLQVXULG-UHFFFAOYSA-N 439.693 4.147 5 20 IIBD O=[N+]([O-])c1cc2c(c(COc3c(C(F)(F)F)ccnc3Br)c1)OCOC2 791436050 YXWOEYQXIDLQCA-UHFFFAOYSA-N 435.152 4.217 5 20 IIBD COc1ccc(OC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 791775934 NIAFZIQEBMURSI-XIKOKIGWSA-N 439.251 4.035 5 20 IIBD CC(C)CC(=O)Nc1ccc(NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cc1 798247658 UIUVCJDWWXEAKJ-UHFFFAOYSA-N 429.857 4.173 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C1CCC(NC(=O)OC(C)(C)C)CC1 799236577 UIHLBBAOKOVCKE-UHFFFAOYSA-N 436.509 4.293 5 20 IIBD CCN(c1ccc(Cl)cc1F)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 799546282 KTNJNMHSWFOCPF-UHFFFAOYSA-N 437.674 4.365 5 20 IIBD C[C@H](Sc1ccc(Cl)cc1)C(=O)O[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 799842328 BQRYXFNHOKXLMH-MNOVXSKESA-N 426.853 4.438 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl 800148350 AJZXVZTXOSQEJA-UHFFFAOYSA-N 443.884 4.025 5 20 IIBD Cc1ccc(S(=O)(=O)C2(C(=O)OCc3c(F)cc([N+](=O)[O-])cc3F)CCCC2)cc1 803384206 SUHWOGHBOZMMAW-UHFFFAOYSA-N 439.436 4.011 5 20 IIBD CCc1[nH]nc(C(=O)N[C@H](c2c[nH]c3ccccc23)C(Cl)(Cl)Cl)c1[N+](=O)[O-] 804579751 MWEKPMZPKVFSOF-CQSZACIVSA-N 430.679 4.203 5 20 IIBD O=[N+]([O-])c1cc2c(c(-c3nc(-c4c(Cl)nc5cc(Cl)ccn45)no3)c1)OCCO2 809527565 CLWZMQYQDPNBLZ-UHFFFAOYSA-N 434.195 4.038 5 20 IIBD C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC[C@@H](O)c1ccc(Cl)c(Cl)c1 809755368 PTKOTUMQCQKXFJ-KPZWWZAWSA-N 426.300 4.332 5 20 IIBD CC[C@H]1[C@@H](C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCN1C(=O)OC(C)(C)C 810452410 NUGMEVNRJMIVHH-PMACEKPBSA-N 447.532 4.000 5 20 IIBD CCCNC(=S)/C(=C(/O)c1ccc([N+](=O)[O-])cc1)[n+]1cc(O)cc(-c2ccccc2)c1 811724036 XPFFLBQBHWFZID-UHFFFAOYSA-O 436.513 4.466 5 20 IIBD CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](COC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 813156468 BQOROWJLRFXKNQ-GFCCVEGCSA-N 434.823 4.297 5 20 IIBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1cnn(-c2ccc(Cl)nn2)c1C(F)(F)F 813244979 CTTNNYKNJSPKLQ-UHFFFAOYSA-N 447.160 4.148 5 20 IIBD CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCN(C(=O)NCc3cccc([N+](=O)[O-])c3)C2)C1 814365346 GUUBKBFUDXKSMB-RBUKOAKNSA-N 446.548 4.164 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)c1 816850073 OAXWSQAFKQRAJZ-QGZVFWFLSA-N 447.532 4.111 5 20 IIBD CC(C)n1c2ccccc2n2c(SCc3cc([N+](=O)[O-])cc4c3OCOC4)nnc12 847204752 DJFIAEJIKIVRQF-UHFFFAOYSA-N 425.470 4.332 5 20 IIBD C[C@@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1cc2ccccc2o1 852584117 IGBFIVRKKNAYMY-ZIAGYGMSSA-N 428.466 4.242 5 20 IIBD CC(=O)N1CCN(c2cccc(NCc3cccc([N+](=O)[O-])c3Br)c2C)C1=O 864027605 HDNNHAOVIJIKCP-UHFFFAOYSA-N 447.289 4.066 5 20 IIBD CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1cc(-c2ccccc2)no1 915135638 MTZAXTQQRULBMK-UHFFFAOYSA-N 433.424 4.351 5 20 IIBD Cc1cc(C)c(N2C[C@H](C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)CC2=O)c(C)c1 915283024 AQPRGHMTEDUXRE-CQSZACIVSA-N 433.411 4.113 5 20 IIBD Cc1c(Cl)cc(S(=O)(=O)NC(=O)c2cc(Cl)sc2Cl)cc1[N+](=O)[O-] 916187535 QISJUIBYRGRYSU-UHFFFAOYSA-N 429.690 4.044 5 20 IIBD C[C@@H](Nc1ccc(C(=O)Oc2ccc3c(c2)CCC(=O)N3)cc1[N+](=O)[O-])c1ccccn1 920113576 YDGKCTFLUNNSGS-CQSZACIVSA-N 432.436 4.267 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1CN1CCCC1=O 1117398948 YLWYKLBDVMCQMD-UHFFFAOYSA-N 432.274 4.040 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(F)cc2OC(F)F)cc1OC 1320449315 XUUIKLVYXWVVNP-JTQLQIEISA-N 428.363 4.234 5 20 IIBD O=C([C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1322063940 ROSUEGMANYTTQX-VQTJNVASSA-N 434.323 4.350 5 20 IIBD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC(Cc2c(F)cccc2Cl)C1 1322444234 MYEJLPMATQCCHO-UHFFFAOYSA-N 431.895 4.305 5 20 IIBD COc1cc(CN2CCC[C@H](c3nc4ccccc4[nH]3)C2)c([N+](=O)[O-])cc1OC(F)F 1322862734 QWBJCMYCLNUHKW-ZDUSSCGKSA-N 432.427 4.461 5 20 IIBD COc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc(Cl)c1OC 1337787472 ZCJNQWXLDBBVRZ-UHFFFAOYSA-N 433.892 4.186 5 20 IIBD COc1ccc2c(c1)c(C(=O)O[C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)c(C)n2C1CC1 1338766936 YRDBRRLTYGJLNE-NRFANRHFSA-N 449.463 4.164 5 20 IIBD Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccnc4C)cc3)CCC2)ncc1[N+](=O)[O-] 1787318971 BOEULYPMSRXDFV-UHFFFAOYSA-N 445.479 4.063 5 20 IIBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1cccs1 1801207609 XFAVOAHBURDKOP-QDMKHBRRSA-N 441.534 4.437 5 20 IIBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2)[nH]n1)c1cc(F)cc([N+](=O)[O-])c1 1821166652 BDMHQMGLLNNTKV-IBGZPJMESA-N 437.431 4.077 5 20 IIBD CC1(C)CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3ccc([N+](=O)[O-])o3)[nH]n2)C1 1822470484 IZVUXZPZLQRRHK-DBWMJRBXSA-N 441.488 4.053 5 20 IIBD C[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1)c1cccs1 1823618239 RGDOFGSJMRZOMB-WBVHZDCISA-N 445.541 4.286 5 20 IIBD C/C=C/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc([N+](=O)[O-])ccc2F)CC1 1824949915 VARLZJBXWKTZGA-SMQCQUJFSA-N 443.519 4.028 5 20 IIBD Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)c(C)c1 1829834908 VZIASBLIVWXFRF-OAQYLSRUSA-N 438.528 4.087 5 20 IIBD O=C(C1CCCCC1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1 1830488824 CJLJXCUNUMUAAC-HXUWFJFHSA-N 443.544 4.114 5 20 IIBD C[C@@H]1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 1830495483 BANKXGMXIRVILE-WVBUVRCRSA-N 445.535 4.403 5 20 IIBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CCCC2)CC1 1830788296 JGOCOGSZZVEHTA-FQEVSTJZSA-N 443.544 4.032 5 20 IIBD CC/C=C(\C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cc(F)ccc2[N+](=O)[O-])CC1 1832888406 INIDLUPWPQXOBY-FRKKFGCYSA-N 445.535 4.252 5 20 IIBD Cc1cccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CCc2cccc([N+](=O)[O-])c2)c1Cl 1847995993 WKRSOIXPMNCFHR-PMACEKPBSA-N 441.915 4.005 5 20 IIBD C[C@H](NC(=O)COC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1Cl 9717207 QYMRTKHUKKDFOK-JTQLQIEISA-N 441.665 4.045 5 20 IIBD CC(C)S(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 12070107 WJYOAONQGQCHRP-UHFFFAOYSA-N 445.522 4.082 5 20 IIBD COc1ccc(-c2ccc(/C=C3\NC(=S)N(C4CCCCC4)C3=O)o2)c([N+](=O)[O-])c1 15260283 BQETYMWTEWRVLO-BOPFTXTBSA-N 427.482 4.254 5 20 IIBD C[C@@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)Nc1ccc(F)cc1F 18591111 ZOKMETOSOHCZLP-GFCCVEGCSA-N 425.460 4.484 5 20 IIBD COc1ccc([N+](=O)[O-])cc1C(=O)OCc1csc(N(C(C)=O)c2ccccc2)n1 19285069 VIAMRCXEVTXBSI-UHFFFAOYSA-N 427.438 4.102 5 20 IIBD Cn1cccc1C(=O)COC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 23868708 LMPOIYUEXWMLGF-UHFFFAOYSA-N 427.844 4.239 5 20 IIBD CN(Cc1c(F)cccc1Cl)C(=O)c1cc([N+](=O)[O-])ccc1I 31692225 QEXNBTCCXFBTGJ-UHFFFAOYSA-N 448.619 4.264 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)N[C@@H]2CCC(C)(C)c3ccccc32)cc1[N+](=O)[O-] 63620961 XBLQXKCLXRHWHE-QGZVFWFLSA-N 437.525 4.417 5 20 IIBD Cn1ccnc1C(=O)c1ccc(NCc2cccc(NC(=O)C3CCCC3)c2)c([N+](=O)[O-])c1 64113468 ALQYWVFAUASAQY-UHFFFAOYSA-N 447.495 4.300 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N2CCC(Oc3cc(C)ccc3C)CC2)c([N+](=O)[O-])c1 64631788 ZFAYDVQTGGZNFS-QGZVFWFLSA-N 427.501 4.091 5 20 IIBD CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 72045808 ORYHGTODAIGYSW-UHFFFAOYSA-N 449.501 4.023 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N2CCC[C@@H]2c2nc3ccccc3s2)c([N+](=O)[O-])c1 96966220 WQULONDSZNLEPK-SUMWQHHRSA-N 426.498 4.377 5 20 IIBD CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 96979034 PZYSIXQDJBMTGI-UHFFFAOYSA-N 428.626 4.191 5 20 IIBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cccc(OC(F)(F)F)c2)ccc1[N+](=O)[O-] 110322576 QDHZLHSIHWVSBF-QGZVFWFLSA-N 437.374 4.045 5 20 IIBD CC(C)(C)c1cc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)n(-c2ccccn2)n1 111007173 WUHJSXTZDYEIJW-UHFFFAOYSA-N 444.289 4.488 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c1[N+](=O)[O-] 301149530 LZUWKZBTZQDBFR-INIZCTEOSA-N 442.255 4.188 5 20 IIBD O=[N+]([O-])c1cc(Br)cnc1N1CCO[C@H](c2ccc(Br)cc2)C1 301700092 RYRNBRXANZUEJL-AWEZNQCLSA-N 443.095 4.093 5 20 IIBD COc1cc(CNc2ncc(Br)cc2[N+](=O)[O-])cc(Br)c1OC 301710938 XRSLWUVDJGYTEH-UHFFFAOYSA-N 447.083 4.144 5 20 IIBD O=C(Nc1ccccc1Br)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 301791623 NZQRKWKKHMQTGN-UHFFFAOYSA-N 440.244 4.491 5 20 IIBD Cc1cc(N2CCc3c(ncn3CCc3ccccc3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 302141592 JOADTMBPHWGMIN-UHFFFAOYSA-N 440.507 4.362 5 20 IIBD NC(=O)c1ccc(CNc2ccc(NC(=O)c3ccoc3)cc2C(F)(F)F)c([N+](=O)[O-])c1 303052423 VLGAXYUFUALOGM-UHFFFAOYSA-N 448.357 4.170 5 20 IIBD CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC1(c2ccc(Br)cc2)CC1 303810879 CPFLPJWWPQJSPD-UHFFFAOYSA-N 433.302 4.387 5 20 IIBD COc1cc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)ccc1OC1CCCC1 410179103 ODYOCYQHORPIIJ-UHFFFAOYSA-N 428.441 4.338 5 20 IIBD COc1cccc([C@H](CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)N2CCCC2)c1 426235467 CPTNAYMQXWHPEV-QHCPKHFHSA-N 438.528 4.115 5 20 IIBD O=C(O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1cc(Br)cc(C(F)(F)F)c1 426783384 KWYLULJKFRXJNQ-HNNXBMFYSA-N 447.207 4.162 5 20 IIBD CN(Cc1cc(Br)ccc1Cl)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 427729126 XSOVABZGXMYNBP-UHFFFAOYSA-N 449.692 4.469 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCc1ccnc(Oc2ccc(F)cc2)c1 428038151 WXRBXTUSLGTGAK-UHFFFAOYSA-N 448.410 4.165 5 20 IIBD C[C@@H]1Sc2ccccc2N(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)[C@H]1C 430666910 ZSYFZIXQELAMES-KBPBESRZSA-N 427.482 4.199 5 20 IIBD O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)c1cc(Br)cc([N+](=O)[O-])c1 431439984 XPXZSVBTNWFSIK-ZDUSSCGKSA-N 438.347 4.061 5 20 IIBD CCNc1ccc(C(=O)Nc2c(C)cnn2[C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] 434311073 DVKGNBLAFUOTPO-FQEVSTJZSA-N 448.527 4.231 5 20 IIBD CCc1occc1C(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 435468368 OOPLORDAICXDTR-UHFFFAOYSA-N 429.454 4.112 5 20 IIBD O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 435635736 IJPFSDCLYCUSLG-JOCHJYFZSA-N 448.527 4.069 5 20 IIBD COc1cc(Cl)c(C)cc1NC(=O)CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] 436405818 PLLCXGZVJXJONC-UHFFFAOYSA-N 432.786 4.420 5 20 IIBD CCc1ccc(NC(=O)c2nnc(CN(Cc3ccccc3[N+](=O)[O-])C3CC3)s2)cc1 441230069 LAFBHDIGUJOCCJ-UHFFFAOYSA-N 437.525 4.426 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 443973427 ZZCWOHWLNHCQQH-CQSZACIVSA-N 431.880 4.143 5 20 IIBD C[C@@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@H](C)CN1Cc1ccccc1 444299471 VKESKXIQVUMLLL-RTBURBONSA-N 425.532 4.416 5 20 IIBD CCOC(=O)[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1cccc(C)c1C 444327243 FAVPDBLSNUPSKT-HSZRJFAPSA-N 428.488 4.332 5 20 IIBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1nc2ccccc2n1C(F)F 444660428 FWYBAXXFGDSVRB-LBPRGKRZSA-N 433.415 4.028 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 444834013 GLJPEVUBNSCVKM-UHFFFAOYSA-N 430.262 4.173 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1cc(Br)ccc1F 446011922 NMBOHCMFJCJABV-UHFFFAOYSA-N 432.043 4.440 5 20 IIBD CCN(CC)S(=O)(=O)c1ccc(N2CC[C@H](CSc3ccccc3)C2)c([N+](=O)[O-])c1 462946474 VIDCKVNUDCMKRM-KRWDZBQOSA-N 449.598 4.244 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1 463971655 NKTJGHGOIYLURT-HDICACEKSA-N 426.517 4.143 5 20 IIBD Cc1ccc(C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)c2ccccn2)cc1 464409873 VVQMVWCYHPSCCT-FQEVSTJZSA-N 448.504 4.109 5 20 IIBD COc1cc(OC)cc(N2CCCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC2)c1 468352708 ZQRYZLDZODHGCR-UHFFFAOYSA-N 441.528 4.262 5 20 IIBD CO[C@@]1(C)CCCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 470709249 ZZHZAWNBCDLBQJ-DEOSSOPVSA-N 434.496 4.018 5 20 IIBD COc1cc(C(=O)N=c2cc[nH]cc2C(C)=O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 472469375 JWFJKRLFWZGUSA-UHFFFAOYSA-N 441.827 4.321 5 20 IIBD COC(=O)c1ccc(C(F)(F)F)nc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 478710128 KDVXFUIFLYINEY-UHFFFAOYSA-N 449.794 4.179 5 20 IIBD Cc1c(CNC(=O)N[C@@H](Cc2ccc(O)cc2)c2nc3ccccc3[nH]2)cccc1[N+](=O)[O-] 478933411 WJBZVVSGAMWHOF-NRFANRHFSA-N 445.479 4.268 5 20 IIBD O=C(Nc1ccc(OC(F)F)c2cccnc12)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 479259857 ZBNFHXDYWXEBBR-UHFFFAOYSA-N 425.351 4.182 5 20 IIBD Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 479819752 WMXQDSAIIAUKLB-QMMMGPOBSA-N 438.328 4.480 5 20 IIBD COc1ccc(CNC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])cc1Br 483576290 JNMOBMLDXPLZSR-UHFFFAOYSA-N 441.303 4.026 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)cc1SC 483584897 OENZINVGFGXREW-UHFFFAOYSA-N 427.438 4.423 5 20 IIBD NC(=O)c1cc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])ccc1Cl 486369819 KOUCPBZEZXCKOQ-UHFFFAOYSA-N 425.828 4.178 5 20 IIBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1cnn(Cc2ccccc2)c1 489031160 OHUPLRQEPDYDQK-INIZCTEOSA-N 440.525 4.069 5 20 IIBD COc1cccc(-c2noc([C@H](C)NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)n2)c1 491383705 FMMFUKDSZZMYFN-AWEZNQCLSA-N 437.456 4.089 5 20 IIBD Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cc1[N+](=O)[O-] 493792481 IVJKCFOLNAAVHL-GFCCVEGCSA-N 449.476 4.255 5 20 IIBD Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCN3C(=O)CC(C)(C)C)n2)cc1[N+](=O)[O-] 498309162 GINPLTAKIZYTDT-INIZCTEOSA-N 430.530 4.392 5 20 IIBD CC[C@](C)(NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1)C(=O)OC 500270864 VYMLSYNGBYVLPA-FQEVSTJZSA-N 436.848 4.121 5 20 IIBD CCC(=O)Nc1ccc(Cl)c(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 500926578 HHXPPJIGNRTKNQ-UHFFFAOYSA-N 430.892 4.452 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@H](CCCO)c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 501934761 XUYGZIUKKHLVAA-LAUBAEHRSA-N 434.496 4.407 5 20 IIBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccc(COC2CCOCC2)cc1 502068757 OMYUTCZWNPAEPB-OAHLLOKOSA-N 448.903 4.028 5 20 IIBD O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 502149014 XOJVGVYHAPFPCD-CQSZACIVSA-N 435.415 4.081 5 20 IIBD CCC(CC)(NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)C(N)=O 502773000 HUUHYAAIHDJWNL-UHFFFAOYSA-N 444.538 4.130 5 20 IIBD CC[C@](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)(C(=O)O)c1ccc(Cl)cc1 507310332 HZRJGNPNUVDCNA-RUZDIDTESA-N 448.906 4.314 5 20 IIBD Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](COc2ccccc2Cl)C1 508524381 HTJYHNGSBMBARD-HNNXBMFYSA-N 427.892 4.339 5 20 IIBD C[C@@H](NC(=O)CC1CCCCC1)C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 509291353 YKVGZNHKQVQRSP-CQSZACIVSA-N 430.530 4.156 5 20 IIBD COc1cc(C(=O)N[C@@H]2CCc3ccccc32)c([N+](=O)[O-])cc1OCc1cscn1 509876259 COCJNUXODJCNPB-QGZVFWFLSA-N 425.466 4.056 5 20 IIBD O=C(Nc1ncc(Cc2ccc(F)cc2F)s1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 510190181 DFCZJSRQBJZIPZ-UHFFFAOYSA-N 441.419 4.358 5 20 IIBD Cn1cc(C(=O)Nc2ccccc2OC[C@H]2CCCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 511378030 LZBPDTKMDPLUSL-GOSISDBHSA-N 436.468 4.196 5 20 IIBD O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC(Oc2ccccc2Cl)CC1 513887415 FBEYTCZDZBYTQA-UHFFFAOYSA-N 426.860 4.118 5 20 IIBD O=C1CSc2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3C(=O)c3ccccc3)cc2N1 514766260 VNBVZKFLYGYPLW-UHFFFAOYSA-N 433.445 4.122 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C 517410050 HDVKVMLZBKBBGI-AWEZNQCLSA-N 447.538 4.383 5 20 IIBD C[C@H]1CN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC(C)(C)O1 519951583 OMMLDZUOFNHIQK-KRWDZBQOSA-N 434.496 4.016 5 20 IIBD COc1ccc(CNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)cc1O 520039047 CDFORWQBZBYIJX-UHFFFAOYSA-N 431.495 4.155 5 20 IIBD Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 520726019 GPYXPRHWJFQFIF-UHFFFAOYSA-N 433.468 4.014 5 20 IIBD Cc1cnn([C@@H]2CCCc3ccccc32)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 520740513 RSYPGSRHQPNJTD-GOSISDBHSA-N 446.916 4.480 5 20 IIBD O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1cccc(NC(=O)C2CCCCC2)c1 521564577 BPCAUENQEPCCLW-UHFFFAOYSA-N 434.496 4.385 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccc(-c2cn3cccnc3n2)c1 522650712 CBTSHUXFZPSHJV-UHFFFAOYSA-N 437.843 4.366 5 20 IIBD CCOc1cc(CCCNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)ccc1OC 522886941 CDQGPCDKCCOFHG-UHFFFAOYSA-N 441.509 4.488 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccc(Br)o2)cc1 524339715 MBEPSNJCRPAHLX-UHFFFAOYSA-N 444.241 4.133 5 20 IIBD COC(=O)c1cc(NC(=O)c2ccoc2CN2c3ccccc3C[C@@H]2C)cc([N+](=O)[O-])c1 524567861 FGTIRYGJAFTGBU-AWEZNQCLSA-N 435.436 4.178 5 20 IIBD CC(C)C[C@@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1 525027213 BIXFGQVLMBYLFP-MRXNPFEDSA-N 435.933 4.343 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)NCC(F)(F)F)cc1 525221196 HONQGVRTPNURNO-UHFFFAOYSA-N 438.406 4.031 5 20 IIBD COc1cccc(Oc2ncccc2CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 525481481 WFCQBWPUAYTYBZ-UHFFFAOYSA-N 448.479 4.321 5 20 IIBD COCCCOC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)CC1 525611761 OZQXDEDHJDSMPH-UHFFFAOYSA-N 444.484 4.053 5 20 IIBD CCOc1cc(NC(=O)N2CCO[C@@](C)(c3ccccc3)C2)c([N+](=O)[O-])cc1OCC 532106299 QWRSPZBCLOLDTQ-JOCHJYFZSA-N 429.473 4.172 5 20 IIBD Cc1ccc(Cn2cccc(NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)c2=O)cc1 533142767 VPNSZJUTRSMCNK-UHFFFAOYSA-N 431.370 4.384 5 20 IIBD CCCOc1cc(NC(=O)c2ccc3c(c2)CCC(=O)N3C)c([N+](=O)[O-])cc1OCCC 534744268 BIGZTRWATXSUFZ-UHFFFAOYSA-N 441.484 4.334 5 20 IIBD CNc1ccc(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)cc1[N+](=O)[O-] 535756402 WSBBTQPGGRJRFC-UHFFFAOYSA-N 427.848 4.145 5 20 IIBD Cc1cccc(OC(F)F)c1NC(=O)c1cc(I)cc([N+](=O)[O-])c1 536554184 OODWUPPQLRVHQN-UHFFFAOYSA-N 448.163 4.362 5 20 IIBD CCOc1cc(CN2CCC[C@H]2C)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 537631921 FNHVOARIYIRAQM-MRXNPFEDSA-N 428.485 4.423 5 20 IIBD CCN1CCN(c2ccc(NCc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)c(C)c2)CC1 537721373 CDKHMIVHGFINLH-UHFFFAOYSA-N 434.544 4.058 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)c1 538427147 XXZJBJBPFPUHRT-XMMPIXPASA-N 430.464 4.454 5 20 IIBD C[C@@H]1CCCCN1Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)cc1 538445781 QZNNDCXKJIPJHV-GOSISDBHSA-N 438.528 4.058 5 20 IIBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 541316926 NZLXJDBHOWCYLQ-FQEVSTJZSA-N 426.860 4.241 5 20 IIBD COC(=O)c1ccc(Br)c(C)c1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F 544400269 SLURXKCRRQPLQI-VIFPVBQESA-N 439.237 4.334 5 20 IIBD CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 544902455 OLKUVVYDVFQXPZ-UHFFFAOYSA-N 436.877 4.042 5 20 IIBD COc1cc(Cc2noc(Cc3c[nH]c4cc(Br)ccc34)n2)ccc1[N+](=O)[O-] 546465695 JFDRGPHCVZMERH-UHFFFAOYSA-N 443.257 4.412 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)NC2(c3cccc(Br)c3)CCOCC2)c1 549197567 WJGZIDMPPYZISA-UHFFFAOYSA-N 449.301 4.192 5 20 IIBD COc1cc2c(cc1Cl)CN(c1cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c1Cl)CC2 549699328 RWVMKJOFJLPYBN-UHFFFAOYSA-N 447.278 4.019 5 20 IIBD O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N1CCn2nccc21 552782291 DQZDJEJASKXOLY-DTQAZKPQSA-N 431.477 4.379 5 20 IIBD COC(=O)c1ccc([N+](=O)[O-])c(NCc2cccc(NC(=O)Nc3cccc(C)c3)c2)n1 552953531 UONUJJLWYMYHLT-UHFFFAOYSA-N 435.440 4.341 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](NC(=O)CCCc2ccccc2)C1 555010641 CJMNJQDEWGQXQW-FQEVSTJZSA-N 438.528 4.293 5 20 IIBD COc1cc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc(Br)c1OC 555853084 LBKVFAVGJNOOCR-UHFFFAOYSA-N 437.290 4.127 5 20 IIBD COc1cc(OCC(=O)N[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)ccc1[N+](=O)[O-] 557504622 YXAJFAFTJBSAOG-LJQANCHMSA-N 440.374 4.148 5 20 IIBD CCN(C(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)ccc1Cl)C(C)C 569303052 DSZGLRLXUIETBF-UHFFFAOYSA-N 447.875 4.142 5 20 IIBD Cc1c(Cc2noc(-c3cc(Br)cnc3OCC3CC3)n2)cccc1[N+](=O)[O-] 569505346 LABIIPBPSHSUPE-UHFFFAOYSA-N 445.273 4.490 5 20 IIBD CN(C)c1cc(Br)cc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 572742137 VVYAASIXCYVUOG-UHFFFAOYSA-N 448.317 4.107 5 20 IIBD Cn1ccnc1[C@H](NC[C@H]1CCCCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 575167585 JEPHMKNMYNVCJX-ZJSXRUAMSA-N 433.556 4.310 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3nc(-c4ccccc4Cl)sc3C2)s1 577437617 FCEROKIRAQHDLM-UHFFFAOYSA-N 441.943 4.180 5 20 IIBD CCSc1cccc(F)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 584443024 SENHJXINPDXFDU-UHFFFAOYSA-N 435.296 4.409 5 20 IIBD O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 585764863 TZYUSCOIGBYPSM-QFIPXVFZSA-N 439.487 4.273 5 20 IIBD CCOC(=O)c1csc(COc2c([N+](=O)[O-])cnc3ccc(Br)cc23)n1 590128301 XOGVNEYGEGKQCN-UHFFFAOYSA-N 438.259 4.118 5 20 IIBD COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccc(F)c(Br)c2)c([N+](=O)[O-])c1 590194001 XBIHALRZAJRCNY-MNOVXSKESA-N 440.269 4.183 5 20 IIBD COc1cc(OC)c(C2CCN(C(=O)c3cc(SC)ccc3[N+](=O)[O-])CC2)c(OC)c1 600253738 HWRFODSXGDAGQV-UHFFFAOYSA-N 446.525 4.362 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)c(I)c1 603636279 YCWATOIUCZCCKQ-UHFFFAOYSA-N 432.601 4.114 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)c1cccs1 603721819 LPNMJQQQYKRDKY-GOSISDBHSA-N 429.885 4.462 5 20 IIBD COc1cc(CCNC(=O)NCC(C)(C)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC 604079522 HNLXGJXWCQWHHJ-UHFFFAOYSA-N 435.908 4.085 5 20 IIBD O=[N+]([O-])c1cccc(CNS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 604473761 ZKDLZWHOJYZFCE-UHFFFAOYSA-N 428.310 4.111 5 20 IIBD CCOc1cc(NC(=O)N[C@@H]2CCOc3c(OC)cccc32)c([N+](=O)[O-])cc1OCC 608785182 CFFSTZYZURYCES-CQSZACIVSA-N 431.445 4.046 5 20 IIBD CCOc1cc(NC(=O)N2CCCO[C@H](c3ccccc3)C2)c([N+](=O)[O-])cc1OCC 609252325 PXMRQJPAXQCJJZ-NRFANRHFSA-N 429.473 4.388 5 20 IIBD COc1cc(C2(C(=O)NCCc3cc(OC)c(OC)cc3[N+](=O)[O-])CCCC2)ccc1C 609379218 OVCGAZFGPVEFLI-UHFFFAOYSA-N 442.512 4.100 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(NCCc2sc(C)nc2C)c([N+](=O)[O-])c1 609384422 BXUMADXWJDNDJY-UHFFFAOYSA-N 439.493 4.340 5 20 IIBD O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)cc1 609465483 ZGGRREKVGRVUFY-QHCPKHFHSA-N 438.505 4.129 5 20 IIBD CCc1ccc2c(c1)[C@H](CCNC(=O)c1csc(-c3cccc([N+](=O)[O-])c3)n1)C(=O)N2 609525842 NACAVXRROZHNFY-INIZCTEOSA-N 436.493 4.137 5 20 IIBD CN(C)C(=O)c1ccc(CNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 609782217 UYJWIVONYGQXBA-UHFFFAOYSA-N 434.452 4.411 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2cccc(Cl)c2Cl)cc1OC 609795600 CLQNNDHGMNRDAH-LLVKDONJSA-N 443.283 4.426 5 20 IIBD O=C(CCn1c2ccccc2c2ccccc21)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 609880995 ADPJCQRKMJVDKW-KRWDZBQOSA-N 429.480 4.201 5 20 IIBD COc1ccc(OCCSc2nc3cc4ccccc4cc3c(=O)n2C)c([N+](=O)[O-])c1 610217196 DQNQHSJJOIQWSR-UHFFFAOYSA-N 437.477 4.175 5 20 IIBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1NCCc1ccccc1 612412034 LWKUTYRCCRUACA-KRWDZBQOSA-N 432.480 4.006 5 20 IIBD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1OC 619564280 DFEOENCKAHLHOC-UHFFFAOYSA-N 443.481 4.313 5 20 IIBD Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 619583088 BRLCSNHRZMWDEC-RYUDHWBXSA-N 428.329 4.261 5 20 IIBD O=C(NCCOC(=O)[C@H](OC1CCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1Cl 727050243 UCDIXOSVLLKLPZ-HXUWFJFHSA-N 446.887 4.222 5 20 IIBD NC(=O)c1ccc(COC(=O)[C@H](Sc2ccccc2F)c2ccccc2)c([N+](=O)[O-])c1 730332394 CNPOBBSBEZNQFV-HXUWFJFHSA-N 440.452 4.410 5 20 IIBD O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 732578727 PDDOPNSSQSQRDG-ZDUSSCGKSA-N 430.823 4.457 5 20 IIBD COc1cc(-c2nc(COC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)cs2)ccc1O 733380719 QDRMDMHUCWHWQI-UHFFFAOYSA-N 441.465 4.364 5 20 IIBD O=C(Nc1ccc(OC(=O)c2csc3cncn23)cc1)c1cc([N+](=O)[O-])ccc1Cl 733912301 WXCBEAJVXNZJIW-UHFFFAOYSA-N 442.840 4.429 5 20 IIBD CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccccc1Cl 734342701 WKFFHDJQBKNMIN-XCLFUZPHSA-N 433.867 4.254 5 20 IIBD COc1ccnc(C(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)c1 734769280 KEMLIIHCIZBZLI-UHFFFAOYSA-N 427.800 4.123 5 20 IIBD COc1cccc(COC(=O)c2cc([N+](=O)[O-])ccc2Br)c1OC(F)F 735014008 BRIKHGKNVSVFEG-UHFFFAOYSA-N 432.173 4.324 5 20 IIBD COC[C@H](C)NC(=S)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 735423393 WQJBQQRNFFHOBD-NSHDSACASA-N 427.885 4.179 5 20 IIBD Cc1cc(=NC2CCC(NC(=O)OC(C)(C)C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 739898915 RATFLKLIFXJAKZ-UHFFFAOYSA-N 427.505 4.030 5 20 IIBD Cc1ccc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1NC(=O)NC(C)(C)C 741051672 FWJSCFAETNJYFC-UHFFFAOYSA-N 443.456 4.047 5 20 IIBD O=C(c1cc(Br)cnc1Cl)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 741741083 UXQJDJUJIGZQRE-OAHLLOKOSA-N 428.695 4.294 5 20 IIBD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CC[C@@H]1c1ccc(Cl)cc1 742323281 KQXHCZQKVPIPQY-CYBMUJFWSA-N 431.695 4.146 5 20 IIBD CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1C 747962623 QTQGXWOXWXBXHA-CYBMUJFWSA-N 441.465 4.294 5 20 IIBD C[C@H](OC(=O)Cc1cccc(OC(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 748346736 ONIQFIQIIHGBHQ-JTQLQIEISA-N 446.765 4.260 5 20 IIBD Cc1cc(C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c(N)c([N+](=O)[O-])c1 749352987 WEFSGFMPOGZEDN-AWEZNQCLSA-N 436.443 4.368 5 20 IIBD C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 750915779 YSGYPQQEQYTMHV-VFZGTOFNSA-N 445.672 4.392 5 20 IIBD CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 751338690 ZFFRADCJVIAINX-IBGZPJMESA-N 428.460 4.323 5 20 IIBD C[C@@H]1C[C@H]1C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 753766754 WLHFARGFHFPIQE-JDSLSITLSA-N 433.258 4.236 5 20 IIBD CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@H]1CCCN(c2ccccc2)C1 754978997 WHVFIUOAWVOXGA-HNNXBMFYSA-N 436.281 4.237 5 20 IIBD C[C@H](OC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 756749298 LCUNOFGCOANQBY-AYVTZFPOSA-N 447.658 4.159 5 20 IIBD Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Br)c(OC[C@H]2CCCO2)c1 757718644 RUKOZYVVGJJUFC-MRXNPFEDSA-N 449.301 4.154 5 20 IIBD CC(C)[C@@H](NC(=O)OC(C)(C)C)c1noc(-c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)n1 762021663 DKUOCYAZXHFHFG-MRXNPFEDSA-N 428.449 4.052 5 20 IIBD C[C@H](C(=O)Nc1ccc(OCCNC(=O)OC(C)(C)C)cc1)c1cccc([N+](=O)[O-])c1 762263236 KYGVVUMHNDNXPL-HNNXBMFYSA-N 429.473 4.241 5 20 IIBD C[C@H]1CCc2c(sc3nc(CCC(=O)OCCc4ccccc4[N+](=O)[O-])nc(O)c23)C1 762707457 ZGNRRSPOMPGHEL-ZDUSSCGKSA-N 441.509 4.148 5 20 IIBD CCCOC(=O)c1cc(-c2cncnc2)ccc1NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 763197792 QMOHQOLPNFTCMB-HNNXBMFYSA-N 434.452 4.361 5 20 IIBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](c1cccc(F)c1)c1ccccn1 765745470 RNUQCLBOZUPUPU-LJQANCHMSA-N 435.864 4.159 5 20 IIBD C[C@](O)(CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1ccccc1Cl 765765691 UGEXTSAFJCTNOU-INIZCTEOSA-N 448.100 4.302 5 20 IIBD Cc1cccc(S(=O)(=O)CCCOC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 766196708 UGILEIGFAXNMAF-UHFFFAOYSA-N 446.506 4.048 5 20 IIBD CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 771766764 USONYNVKQMXDMP-GFCCVEGCSA-N 432.399 4.135 5 20 IIBD C[C@@H](C[C@H](O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 771917517 QFVJVWDZSWLLMQ-AOMKIAJQSA-N 441.509 4.320 5 20 IIBD CC(C)CC(=O)N[C@@H](C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 773412710 AZHFATUFAJTXRR-LJQANCHMSA-N 449.301 4.304 5 20 IIBD O=C(O[C@H](C(F)F)[C@@H]1CCCO1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 774434942 HPAWNFRZYNITHO-JSGCOSHPSA-N 436.198 4.057 5 20 IIBD CC1=C(C(=O)N(C)C)[C@@H](c2ccc([N+](=O)[O-])cc2F)NC(=S)N1c1ccccc1Cl 777941163 AFSKRJINGJLLJQ-GOSISDBHSA-N 448.907 4.185 5 20 IIBD O=C(NCC1CCN(Cc2ccccc2Cl)CC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 778266117 USPMKCJXNBUOFA-UHFFFAOYSA-N 437.874 4.368 5 20 IIBD O=C(CCc1nc(-c2ccc(Cl)cc2)no1)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 778784404 UFNBSJZONWJGCO-SFHVURJKSA-N 442.859 4.053 5 20 IIBD O=C(Nc1cccc(CN2CCOC2=O)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 780371033 VBPCUHVDNHZQHC-UHFFFAOYSA-N 449.413 4.164 5 20 IIBD COc1ccc(C(=O)[C@H](C)OC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c(OC)c1 781259419 JIONACRUUPXWJV-AWEZNQCLSA-N 431.444 4.127 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 785218547 FLQIGBLZIVNBCP-YLJYHZDGSA-N 445.903 4.082 5 20 IIBD C[C@@H](N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccc(N)c([N+](=O)[O-])c1 788710284 HDHAFSBLQDUICK-ACJLOTCBSA-N 436.434 4.038 5 20 IIBD Cc1csc(Oc2ccc(NC(=O)[C@@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)cc2F)n1 791291762 VJYFMSLBNNVFFR-SFHVURJKSA-N 442.428 4.423 5 20 IIBD Cc1cc([C@@H](OC(=O)Cn2cc([N+](=O)[O-])nc2C)C(F)(F)F)ccc1Br 792137376 LTCUQXXUPGKIFP-CQSZACIVSA-N 436.184 4.017 5 20 IIBD CC(C)(C)OC(=O)CCc1cccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 792388769 CPOHLEOFTXDIPK-UHFFFAOYSA-N 447.875 4.100 5 20 IIBD CCc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 795934209 HEXKDTXUCSSMQS-UHFFFAOYSA-N 443.843 4.285 5 20 IIBD Cc1c(CC(=O)OC[C@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] 797111543 DHWXOJUMRXOUJZ-IBGZPJMESA-N 446.422 4.178 5 20 IIBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H](C)[C@@H](C)c1ccccc1C(F)(F)F 800620778 BWGXNXZRROSQHW-ZYHUDNBSSA-N 441.381 4.308 5 20 IIBD O=C(OC[C@@H]1CCN(C(=O)c2ccccc2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 801247676 LEARTFQSGVJRAO-OAHLLOKOSA-N 437.477 4.037 5 20 IIBD COc1cc(C(=O)O[C@@H](C)c2nccn2-c2ccccc2)c([N+](=O)[O-])cc1OC(F)F 803070269 SQIZZJFZVXKVRV-LBPRGKRZSA-N 433.367 4.309 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2-c2nc(-c3ccc(Cn4cncn4)cc3)no2)CC1 809282054 LVBDWHOMLINFMK-UHFFFAOYSA-N 445.483 4.188 5 20 IIBD COc1cc(Cc2noc([C@@H]3CCCCN3C(=O)OC(C)(C)C)n2)c([N+](=O)[O-])c(OC)c1 809489289 BXMGGCNPIMHVFZ-HNNXBMFYSA-N 448.476 4.048 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)Oc2cc(Cl)ccc2[N+](=O)[O-])c(Cl)cc1Cl 809811214 FUXZLEWGZNHQGW-UHFFFAOYSA-N 427.605 4.231 5 20 IIBD CCc1nc(C(C)C)ccc1C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 815942371 HGGPCAOEGBUZBN-INIZCTEOSA-N 425.485 4.137 5 20 IIBD Nc1cc(-c2noc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)n2)ncn1 820966065 YOJJBJMUPOAREK-UHFFFAOYSA-N 449.477 4.445 5 20 IIBD Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)O[C@H](C)C(=O)N2CCCCC2)n1 849132702 PXOUEPJAUJRNKH-CYBMUJFWSA-N 435.527 4.069 5 20 IIBD CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 888579389 SWDRXKRNUIKTCJ-KRWDZBQOSA-N 449.301 4.040 5 20 IIBD O=C(Nc1ccc(C(=O)NC2CCCC2)cc1)c1ccc(Br)c([N+](=O)[O-])c1 917741406 QYJMMDUNSFGWTF-UHFFFAOYSA-N 432.274 4.282 5 20 IIBD Cc1sc(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)nc1-c1cccc([N+](=O)[O-])c1 917791263 OHCFAOCACABGGP-UHFFFAOYSA-N 435.465 4.148 5 20 IIBD Cc1cc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)nc(C)c1Br 1116523495 BQZJNQIUCLVKMT-UHFFFAOYSA-N 430.262 4.022 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(-n2cnc3ccccc32)nc1 1116603564 GHIKVBQMCYOZEG-LJQANCHMSA-N 429.480 4.214 5 20 IIBD Cc1ccc(C(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc1Oc1ccncc1 1321864196 IECJFUDXSFOWEM-UHFFFAOYSA-N 432.480 4.049 5 20 IIBD CN(C)c1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2N)c(C(F)(F)F)c1 1322736441 NKMFOMSGHJAOSB-UHFFFAOYSA-N 447.211 4.277 5 20 IIBD O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1nnc(-c2nnc(-c3ccccc3)o2)o1 1322946150 NCDSKTMVPFUTCY-UHFFFAOYSA-N 446.345 4.368 5 20 IIBD CC(C)(C)OC(=O)N1CCC(c2nnc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)o2)CC1 1341657764 MSAWZFKHLIXHOG-UHFFFAOYSA-N 443.504 4.360 5 20 IIBD COc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 1526864087 ZCKNWUZDTIBFBI-UHFFFAOYSA-N 440.422 4.218 5 20 IIBD COCCCC(=O)Nc1ccc(C2(NC(=O)Cc3ccc(C)c([N+](=O)[O-])c3)CCC2)cc1 1786045831 OTZBLEYKVLECDZ-UHFFFAOYSA-N 439.512 4.006 5 20 IIBD Cc1cccc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccc([N+](=O)[O-])o4)cc3)CCC2)n1 1786206521 OBBBBAIIIULMGU-ZRDIBKRKSA-N 446.463 4.352 5 20 IIBD Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4n[nH]cc4[N+](=O)[O-])cc3)CCC2)cc1 1789692230 VSCILGRPEUCMHQ-UHFFFAOYSA-N 447.495 4.007 5 20 IIBD O=C(Cc1cc(F)ccc1[N+](=O)[O-])Nc1ccc(C2(NC(=O)c3ccco3)CCC2)cc1 1792308515 YDZGZGUUOBDBPI-UHFFFAOYSA-N 437.427 4.317 5 20 IIBD O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc([C@@H]2CCCCN2C(=O)CC2CCCC2)[nH]n1 1814373846 JZHYYLOMUQXKKO-FQEVSTJZSA-N 439.516 4.133 5 20 IIBD CC[C@H](C)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)[nH]n1 1815038576 AETRMOUIHBOBTG-JXFKEZNVSA-N 441.532 4.379 5 20 IIBD C[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1)c1ccccc1 1823488675 ZVDZVBAUXDCFQT-WMLDXEAASA-N 437.456 4.021 5 20 IIBD CCCCC[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)CC2 1825284704 BYIARVVLJIIUOC-CHWSQXEVSA-N 434.518 4.087 5 20 IIBD CC(C)/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cc([N+](=O)[O-])ccc2F)CC1 1832511223 WQUCKRYFMHSGGD-OUZREKFBSA-N 445.535 4.108 5 20 IIBD COc1ccccc1-n1c(SCc2ccccc2[N+](=O)[O-])nnc1N1CCCCC1 10821631 DTFYJBVKGAVIIR-UHFFFAOYSA-N 425.514 4.467 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)Cc2ccc3c(c2)CCO3)c2ccccc2)c([N+](=O)[O-])c1 11269004 SHVYIITXXYOIAG-XMMPIXPASA-N 446.459 4.304 5 20 IIBD Cc1nc(-c2ccc(CCNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)cc2)cs1 12621066 ZEVLWIWZAZWYDJ-UHFFFAOYSA-N 426.454 4.216 5 20 IIBD COc1ccc(C(=O)NCC(=O)Nc2ccccc2Oc2ccc(C)cc2)cc1[N+](=O)[O-] 15984304 SLRBWUHJBMRICK-UHFFFAOYSA-N 435.436 4.073 5 20 IIBD CCOc1ccc(NC(=O)COC(=O)c2ccc(SC(F)(F)F)cc2)c([N+](=O)[O-])c1 18656273 VZSRAZWBEDLXCO-UHFFFAOYSA-N 444.387 4.401 5 20 IIBD O=C(COC(=O)CCCOc1ccc(Cl)cc1Cl)Nc1ccccc1[N+](=O)[O-] 28300232 RXRGAZJPJLDJNC-UHFFFAOYSA-N 427.240 4.243 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCCC[C@H]3C)cc2)cc1[N+](=O)[O-] 31383970 ABRNEUXEGXYYOC-FOIQADDNSA-N 445.541 4.355 5 20 IIBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)C(c1ccccc1)c1ccccc1 32435316 FIHSAQKHNYNMFP-MRXNPFEDSA-N 426.494 4.102 5 20 IIBD C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 36742263 SNPQEEPXCQZDJT-SNVBAGLBSA-N 442.324 4.312 5 20 IIBD Cc1c(C(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)nnn1-c1cccc([N+](=O)[O-])c1 105570052 DWJLIKNIBXPTGR-VIFPVBQESA-N 438.246 4.421 5 20 IIBD C[C@@H](NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccc2c(c1)CC(=O)N2 115717517 WHYSQZRYHBWXPR-HUUCEWRRSA-N 445.479 4.149 5 20 IIBD O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] 116098776 JOLPBTVQYKJGFS-INIZCTEOSA-N 426.231 4.284 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CNCCCOC[C@H]3CCCO3)o2)c(Br)c1 236568296 QHNROKMRHWDWNK-MRXNPFEDSA-N 439.306 4.293 5 20 IIBD COc1cc(CN[C@@H]2CCCN(c3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F 237365870 RVXFXFAQLBRPKV-MRXNPFEDSA-N 439.434 4.303 5 20 IIBD Cc1cc(NCc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c2cc([N+](=O)[O-])ccc2n1 302211878 YRSKJUFCVPHDNM-IRXDYDNUSA-N 434.496 4.313 5 20 IIBD C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 302479735 XLMNCUZSZKVUNZ-ZDUSSCGKSA-N 443.447 4.351 5 20 IIBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@H](c1ccccc1)c1cc2ccccc2o1 302891004 RTSPOLYMVOPWBW-HSZRJFAPSA-N 443.415 4.155 5 20 IIBD C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)C1 303436496 GZCKIHXHAFUXPO-GASCZTMLSA-N 448.479 4.219 5 20 IIBD CN(Cc1csc2ccccc12)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 303543084 UVABYYCWZQDAFH-OAHLLOKOSA-N 429.523 4.134 5 20 IIBD COc1cc(N[C@H]2CCCN(C(=O)c3ccc(SC)c([N+](=O)[O-])c3)C2)cc(OC)c1 427016564 QXYJVUVZKASVQF-HNNXBMFYSA-N 431.514 4.051 5 20 IIBD CC(C)N(CC(F)F)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 427225173 FABOHBIQFNIZGA-UHFFFAOYSA-N 428.439 4.492 5 20 IIBD O=C(NC[C@]1(CO)C[C@H]1c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 429612437 QHPDAMJJGGBTBN-YJBOKZPZSA-N 427.354 4.040 5 20 IIBD Cc1c(NC(=O)C(=O)N[C@H]2CC(C)(C)c3ccccc32)cc(Br)cc1[N+](=O)[O-] 430319854 NIAIZFAGXZMQHN-INIZCTEOSA-N 446.301 4.143 5 20 IIBD Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 430403339 GUELVPDLPJEBRO-IYBDPMFKSA-N 439.512 4.347 5 20 IIBD Cc1cc(OCC(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)ccc1[N+](=O)[O-] 430413437 KIZWGTNQTFJFJZ-UHFFFAOYSA-N 429.816 4.419 5 20 IIBD O=C(NCCCCN1CCC[C@H]1CO)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 432524378 GISSMKUIZYIHIS-SFHVURJKSA-N 447.919 4.007 5 20 IIBD COc1ccccc1CC(=O)N1CCC(N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 433157594 GUKKAHRIRYLOMJ-JOCHJYFZSA-N 437.540 4.149 5 20 IIBD CCc1cnc(CN(C)c2ccc([N+](=O)[O-])c(N(C)Cc3ncc(CC)s3)n2)s1 433775230 QECHGRTWCVWTKB-UHFFFAOYSA-N 432.575 4.300 5 20 IIBD Cc1c(NC(=O)N[C@@H]2CCc3cn(C(C)C)nc3C2)cc(Br)cc1[N+](=O)[O-] 435330641 VBCFBZIEKICLCF-CQSZACIVSA-N 436.310 4.122 5 20 IIBD Cc1ccc2cccc(NS(=O)(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)c2n1 438771009 JMXVUYJFLBYSKW-UHFFFAOYSA-N 436.287 4.323 5 20 IIBD CC[C@@H](CNC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])Oc1cccc(Cl)c1 440639468 LRNIHKCJIIJGEK-LBPRGKRZSA-N 444.818 4.446 5 20 IIBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)Nc1cccc(CCN2CCC(C)CC2)c1 442207480 LKBYGXYXKKBUND-UHFFFAOYSA-N 438.528 4.063 5 20 IIBD C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)c1cc2ccccc2o1 442794333 RWOOJBSXLOATLR-SNVBAGLBSA-N 425.260 4.143 5 20 IIBD CCN1C(=O)CCc2cc(NC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)ccc21 444311854 KMYZFPQQJXDEGS-UHFFFAOYSA-N 429.451 4.372 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(-c3csc(-c4ccc(OC(C)C)cc4)n3)n2)n1C 445614245 WBMINUUSSZXTOI-UHFFFAOYSA-N 426.458 4.264 5 20 IIBD Cc1nc([N+](=O)[O-])c(-c2noc(C3(c4ccc(Br)cc4)CCCC3)n2)n1C 445622167 WVIFBOXMMCXZEF-UHFFFAOYSA-N 432.278 4.309 5 20 IIBD O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1sc(Br)cc1[N+](=O)[O-] 446106955 DOYKMPKOTXMPAJ-UHFFFAOYSA-N 444.270 4.381 5 20 IIBD Cn1c(SCc2cncc(OCc3ccccc3)c2)nc2cc([N+](=O)[O-])ccc2c1=O 447286627 UZBOVKRQXFVLQA-UHFFFAOYSA-N 434.477 4.108 5 20 IIBD O=[N+]([O-])c1cccc(-c2nnc(N(CCC(F)(F)F)CC3CC3)n2C[C@@H]2CCOC2)c1 461369047 YXXFSJIUZLKGAJ-HNNXBMFYSA-N 439.438 4.059 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C(=O)NCc2ccccn2)c1 462433327 RTPZEJLHXFQOSL-GOSISDBHSA-N 432.480 4.127 5 20 IIBD CN(Cc1ccccc1N1CCOCC1)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 462438228 CGXOPGBZRVOTQT-UHFFFAOYSA-N 434.496 4.042 5 20 IIBD CN(CCc1cccc(Br)c1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] 462840557 RVVPPIHPFJQBOT-UHFFFAOYSA-N 442.107 4.435 5 20 IIBD CC(C)(C)OC(=O)[C@@]12CCC[C@H]1CN(C(=O)c1csc(-c3cccc([N+](=O)[O-])c3)n1)C2 466653795 JSPVRNDNUBZBOO-OYHNWAKOSA-N 443.525 4.302 5 20 IIBD CC1CCN(c2ccc(C(=O)NC[C@H](C[C@@H](C)O)c3ccccc3)cc2[N+](=O)[O-])CC1 468993270 PGURXXLQOMYKRB-NQIIRXRSSA-N 425.529 4.116 5 20 IIBD O=C1CCCC[C@H]1[C@H]1CCCN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 471939343 CSWNYFYLNPPHLB-GOEBONIOSA-N 427.423 4.166 5 20 IIBD Cc1cc(-c2noc([C@@H](C)NC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)ccc1F 472395384 ODASGAIFGWIXJY-VXGBXAGGSA-N 448.838 4.390 5 20 IIBD CCc1ccc(-c2noc([C@H](C)NC(=O)c3ccc([N+](=O)[O-])cc3Br)n2)cc1 472415265 VTEWPYOTZHZUGE-NSHDSACASA-N 445.273 4.461 5 20 IIBD Cn1c(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nnc1-c1ccc(Cl)cc1 473038223 QWIWTILDSCGBHF-UHFFFAOYSA-N 427.892 4.087 5 20 IIBD CC(C)c1ccc(C(=O)N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] 473696455 XDVBQCVTWCWZFD-UHFFFAOYSA-N 429.904 4.360 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(N2C(=O)N[C@H](CC)C2=O)c1 478123407 ZOSJZSBIUIHUAP-QGZVFWFLSA-N 442.497 4.184 5 20 IIBD CCn1c(S[C@@H]2CCCN(c3ccccc3F)C2=O)nnc1-c1ccc([N+](=O)[O-])cc1 478642985 NFDQUGUKQBYDKV-GOSISDBHSA-N 441.488 4.300 5 20 IIBD O=C(N[C@H](CO)c1ccccc1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 479531330 LUZKDQYQZZCCGC-HXUWFJFHSA-N 425.872 4.324 5 20 IIBD COc1cc(C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)cc([N+](=O)[O-])c1C 479630258 UOPCMMUWJUNUBH-UHFFFAOYSA-N 427.844 4.028 5 20 IIBD CCN([C@@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC 481440248 DSUPFMNTPWXZJY-QFIPXVFZSA-N 441.509 4.107 5 20 IIBD CCN([C@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] 481458315 ZMDGBUKCJIGPTI-JOCHJYFZSA-N 441.509 4.107 5 20 IIBD Cc1c(CNC(=O)c2ccc(I)cc2Cl)cccc1[N+](=O)[O-] 481468645 SGWSWJNGMIMNFL-UHFFFAOYSA-N 430.629 4.091 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(OC3CCCC3)c(OC)c2)cc1OC 482162607 GZZZNDUJOCOUKO-UHFFFAOYSA-N 444.484 4.262 5 20 IIBD COc1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)cc1NC(=O)c1cccc(F)c1 482560125 HPXWHXAXEZEICN-UHFFFAOYSA-N 449.398 4.123 5 20 IIBD CCCOC1(CNC(=O)c2ccc([N+](=O)[O-])cc2I)CCCCC1 482624600 AAJLYUVZZHLBFI-UHFFFAOYSA-N 446.285 4.059 5 20 IIBD O=C(Cc1ccnc(O)c1Br)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 485492007 OKODITKHYGPMGR-UHFFFAOYSA-N 444.241 4.431 5 20 IIBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(c2nc3ccccc3[nH]2)CC1 488014675 OFUQHCQKAAXUHN-UHFFFAOYSA-N 427.892 4.256 5 20 IIBD CCn1c(S[C@H](C(=O)N2C[C@@H](C)C[C@H](C)C2)C(C)C)nnc1-c1ccc([N+](=O)[O-])cc1 489394108 UEPTZMWGGPTGBK-BXWFABGCSA-N 445.589 4.494 5 20 IIBD CCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)C(=O)Nc1ccccc1C 490045099 RZFPVADJFHKLQK-HNNXBMFYSA-N 432.908 4.234 5 20 IIBD CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(C(=O)OCC)cc([N+](=O)[O-])c2)c1 490135703 JQLSQJUKEPHIRW-UHFFFAOYSA-N 433.848 4.416 5 20 IIBD CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1 490144444 XHRNZHZZHAPHBT-UHFFFAOYSA-N 427.848 4.425 5 20 IIBD COc1cc(OC)c(NC(=O)c2cccc(SC)c2[N+](=O)[O-])cc1Br 490917853 INBJTQUCBWFKHY-UHFFFAOYSA-N 427.276 4.349 5 20 IIBD Cc1c(NC(=O)[C@H](C)Nc2ccc(CS(=O)(=O)C(C)(C)C)cc2)cccc1[N+](=O)[O-] 498079922 NIOYGLYSAUSDOH-HNNXBMFYSA-N 433.530 4.056 5 20 IIBD COc1ccc(SCCC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1OC 498131394 HILPJPXZQRUQMR-HXUWFJFHSA-N 434.539 4.368 5 20 IIBD C[C@@H](Nc1ccc(C(=O)N(CCN(C)C)C2CCCC2)cc1[N+](=O)[O-])c1ccccn1 498454128 LODHHHDHVDTYSR-QGZVFWFLSA-N 425.533 4.109 5 20 IIBD CC(=O)Nc1ccc(-c2noc(CN(C)c3ccccc3[N+](=O)[O-])n2)cc1C(F)(F)F 499601655 YWYJGOCSTFWNET-UHFFFAOYSA-N 435.362 4.258 5 20 IIBD CCOc1cc(C(=O)NCCOc2ccccc2-c2ccccc2)c([N+](=O)[O-])cc1OC 501694845 AZADSYJKTFJFBV-UHFFFAOYSA-N 436.464 4.478 5 20 IIBD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1 503418055 ILSBRXQFEHPCEC-SFHVURJKSA-N 441.553 4.060 5 20 IIBD CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1ccc(CN2CCC(O)CC2)cc1 504899777 MARLARPRLVWGMF-HXUWFJFHSA-N 429.586 4.212 5 20 IIBD COC(=O)[C@H]1CC12CCN(C(=O)c1ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c1)CC2 505681576 NHICCCJGPMDRLM-GOSISDBHSA-N 440.521 4.470 5 20 IIBD O=[N+]([O-])c1cc(F)c(CSc2nnc(N3CCCCC3)n2Cc2ccco2)c(F)c1 505694524 NGMBSYXNKNPFIJ-UHFFFAOYSA-N 435.456 4.388 5 20 IIBD CC1(C)CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@](C)(C(F)(F)F)O1 505717521 VRZPWMPUANKXDR-KRWDZBQOSA-N 429.420 4.290 5 20 IIBD C[C@H](Nc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3)cc1[N+](=O)[O-])c1ccccn1 506178756 LQBJFVBDUYQIOR-AWEZNQCLSA-N 431.452 4.300 5 20 IIBD C[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(F)c(Br)c1 507711861 ZWUHLNNMCDOWFS-LLVKDONJSA-N 433.237 4.173 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1I)N(C1CC1)[C@@H]1CCc2ccccc21 508975143 BFSQAPCBMHBZGT-GOSISDBHSA-N 448.260 4.492 5 20 IIBD CCc1c(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cnn1-c1ccc(Br)cc1 509654314 DLSRIXMBVWCNSF-UHFFFAOYSA-N 441.285 4.308 5 20 IIBD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O 513497757 BCYOEEBGVYAFOM-IFXJQAMLSA-N 445.516 4.328 5 20 IIBD CC(=O)N(c1nc(CSc2nc3cc4ccccc4cc3c(=O)n2C)cs1)C1CC1 513505700 KOOAGJBTVMLEQY-UHFFFAOYSA-N 436.562 4.351 5 20 IIBD COC(=O)c1cc(C(=O)Nc2ncc(Cc3ccc(C)c(C)c3)s2)cc([N+](=O)[O-])c1 514577204 OQVLIYKJRDFUCD-UHFFFAOYSA-N 425.466 4.298 5 20 IIBD Cn1cc(C(=O)NCCOc2cccc(Cl)c2Cl)c(-c2ccc([N+](=O)[O-])cc2)n1 516222805 WMPIBUIHVACFAZ-UHFFFAOYSA-N 435.267 4.111 5 20 IIBD C[C@@H]1CSc2ccc(Br)cc2[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 517084339 LRQWIKHMTINTPG-CLAHSXSESA-N 449.373 4.180 5 20 IIBD COc1cc(C(=O)NCCCCn2ccnc2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 518510048 QXVIISCVMGLEIY-UHFFFAOYSA-N 444.875 4.456 5 20 IIBD CN(C)c1ccc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)nc1 520127027 JJTVGGVXRKSEFP-UHFFFAOYSA-N 442.479 4.090 5 20 IIBD CC(C)CNC(=O)c1ccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1Cl 520683139 MIOGTBIKCLGBOM-UHFFFAOYSA-N 441.875 4.072 5 20 IIBD O=C(NCCc1nc(-c2ccccc2OCc2ccccc2)no1)c1ccc([N+](=O)[O-])cc1 521049667 JMJDJTYWDPROPK-UHFFFAOYSA-N 444.447 4.196 5 20 IIBD Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)CSc1ccc([N+](=O)[O-])cc1 522947587 NDQVIUBBAYFLNC-UHFFFAOYSA-N 430.486 4.126 5 20 IIBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 524509715 UWFGWAIPSNBOES-UHFFFAOYSA-N 427.848 4.034 5 20 IIBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(c2ccccc2OC(F)F)C1 525324272 DGTCGYHYTBSPQV-KRWDZBQOSA-N 448.470 4.097 5 20 IIBD COC(=O)c1ccccc1C(=O)c1ccc(N2CCC[C@@H]2c2ccccn2)c([N+](=O)[O-])c1 531146710 DVDLAZJMDAYOSJ-HXUWFJFHSA-N 431.448 4.349 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1cc(Br)ccc1O 534700334 LQPVFTJZTZQFTN-UHFFFAOYSA-N 430.052 4.007 5 20 IIBD C[C@H](Nc1ccc(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1[N+](=O)[O-])c1ccccn1 535862922 VUJNUMOVBBWVCZ-AMOARIBJSA-N 436.512 4.240 5 20 IIBD O=C(Nc1ccc(OC(F)(F)F)cc1Br)c1cc2c(cc1[N+](=O)[O-])OCO2 536092368 JGGDWQVPGPCXAV-UHFFFAOYSA-N 449.135 4.237 5 20 IIBD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](Cc2ccccc2)[C@@H]1C 536468873 UFBCPONKKPYZRZ-FUHWJXTLSA-N 442.537 4.343 5 20 IIBD Cc1ccc(C)c(Oc2ccc(CNS(=O)(=O)CCc3ccccc3[N+](=O)[O-])cn2)c1 536586590 BIMZOQAHIYKWJI-UHFFFAOYSA-N 441.509 4.061 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 537642138 ZIZKFIVMJBXPQJ-UHFFFAOYSA-N 429.904 4.162 5 20 IIBD COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)c1 538552976 WUABCZPCAOABAI-IBGZPJMESA-N 448.401 4.439 5 20 IIBD CC1CCN(CCc2cccc(NC(=O)c3cc(O)nc4ccc([N+](=O)[O-])cc34)c2)CC1 538807430 FHOKCVSPJSTFLT-UHFFFAOYSA-N 434.496 4.375 5 20 IIBD CC(=O)N[C@H](CC(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1)c1ccc(C)cc1 539349423 RQYDRLLIMNRRRA-GOSISDBHSA-N 438.509 4.257 5 20 IIBD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccccc1N1CCOCC1 540453824 IVKFAFKLHMMATI-UHFFFAOYSA-N 429.542 4.204 5 20 IIBD Cc1nnc(NC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1C 542441478 GIFYOYGBYDKEHT-UHFFFAOYSA-N 437.403 4.454 5 20 IIBD O=C(CNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)Nc1cccc(F)c1 544425998 CWOLOPYJZXXZIG-UHFFFAOYSA-N 431.489 4.385 5 20 IIBD COc1cc(Cc2noc(-c3ccc(C)c(NC(=O)NC(C)(C)C)c3)n2)ccc1[N+](=O)[O-] 547177485 YTQGNCVQHVEFLW-UHFFFAOYSA-N 439.472 4.473 5 20 IIBD CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 549393078 BOXSKINVSVISHS-CQSZACIVSA-N 441.561 4.098 5 20 IIBD Cc1csc(Oc2ccc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)cc2F)n1 551924380 XMOVVCNTZXSKKF-UHFFFAOYSA-N 444.444 4.050 5 20 IIBD Cc1ccc(CN2CC[C@H](CN(C)C(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)C2)s1 552001942 IHTNJKKMBOSAPB-IAGOWNOFSA-N 433.599 4.426 5 20 IIBD CCOc1ccc([N+](=O)[O-])c(C(=O)NC2(c3noc([C@@H]4CCCO4)n3)CCCCCC2)c1 554963195 LYGHTMQMYSMBDC-SFHVURJKSA-N 444.488 4.208 5 20 IIBD C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C1CCCCC1 555123505 KCXOGAXBAHRGOE-HNNXBMFYSA-N 431.514 4.094 5 20 IIBD COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F 559144793 VNGULQZCGCIOGK-MRXNPFEDSA-N 436.308 4.377 5 20 IIBD CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NC(=O)c1sc(Br)cc1[N+](=O)[O-] 561442724 CGWZJIPLPUORJQ-GZBFAFLISA-N 439.331 4.500 5 20 IIBD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(Cc1ccccc1)C1CCN(C)CC1 563932612 UUQWJVPGCNGWBC-INIZCTEOSA-N 431.920 4.139 5 20 IIBD COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(Br)cc2F)c([N+](=O)[O-])c1 566825067 BSBROEVUCITDKW-WDEREUQCSA-N 440.269 4.183 5 20 IIBD COc1cccc([C@H]2[C@@H](NCCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCN2C2CC2)c1 570988009 HWNDEOLLKMAHBB-DHLKQENFSA-N 448.523 4.369 5 20 IIBD CN(C)CCn1nccc1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 572673606 HUKWVUWDAINBML-UHFFFAOYSA-N 429.864 4.051 5 20 IIBD CCn1ncc2cc(-c3nc(Cc4ccc([N+](=O)[O-])cc4Br)no3)c(C)nc21 573286039 ILZYUFJHRQMMBM-UHFFFAOYSA-N 443.261 4.071 5 20 IIBD CC(C)[C@](C)(O)CNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 574840295 MECSLKIXCOAZEE-HXUWFJFHSA-N 439.871 4.386 5 20 IIBD COc1cc(C(=O)NC[C@H]2CCOC[C@@H]2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 579505466 GZKKCLIIYZRWIB-DZGCQCFKSA-N 434.876 4.452 5 20 IIBD Cc1ccc(CN2CC[C@@H](CN(C)CCC(=O)Nc3cccc([N+](=O)[O-])c3C)C2)s1 589162329 QVAHVXQTRXKJGB-SFHVURJKSA-N 430.574 4.056 5 20 IIBD O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)N1CCOc2ccc([N+](=O)[O-])cc2C1 589326072 LUTPINWPTINZDG-QGZVFWFLSA-N 447.875 4.233 5 20 IIBD Cc1ccc(C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2C(F)(F)F)cc1[N+](=O)[O-] 603761273 CLFPWMLRFKLYJB-QGZVFWFLSA-N 437.374 4.292 5 20 IIBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCC1(c2ccc(F)cc2)CCCC1 603764164 JTBAYLZMWZLVKV-UHFFFAOYSA-N 441.459 4.050 5 20 IIBD COc1ccc(CSCC(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)cc1[N+](=O)[O-] 603831824 VBMNSVCCCPTZKO-UHFFFAOYSA-N 449.492 4.185 5 20 IIBD Cc1ccc(-c2noc(CCC(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)n2)cc1F 604112880 NKHYQIIECBVABB-UHFFFAOYSA-N 436.346 4.265 5 20 IIBD O=C(Nc1nc(-c2ccccc2OC(F)F)cs1)c1cc2c(cc1[N+](=O)[O-])OCCO2 609021689 NEFSMNFYSWNXLU-UHFFFAOYSA-N 449.391 4.343 5 20 IIBD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC[C@H]3CN3CCCCC3)cc2[N+](=O)[O-])C1 609024108 KJWWJIDRPCBWTC-ZVDOUQERSA-N 428.577 4.168 5 20 IIBD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 609148315 CNJAHXNCBRZGKA-KRWDZBQOSA-N 432.471 4.320 5 20 IIBD O=C(CCCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCN(c2ccccc2)CC1 609919283 XQXDXXHBOLXLHO-UHFFFAOYSA-N 448.523 4.073 5 20 IIBD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(NC[C@H]2CCCO2)c(F)c1 610069232 FZLYRNSPKIARRT-OAHLLOKOSA-N 437.855 4.386 5 20 IIBD CCN(c1ccccc1)S(=O)(=O)c1ccc(N(C)CCCOC(C)C)c([N+](=O)[O-])c1 610133753 SEPDVUBGZONNOJ-UHFFFAOYSA-N 435.546 4.061 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CCN(Cc4ccccc4)C[C@H]3CO)s2)cc1 610137586 LIEQUOARBFSEAP-NZQKXSOJSA-N 437.565 4.296 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O 613300662 FMVKXUOQIXRADO-OAHLLOKOSA-N 436.390 4.157 5 20 IIBD CCOc1cc(NC(=O)Cc2csc(-c3ccccn3)n2)c([N+](=O)[O-])cc1OCC 619213078 LMCSULDLQJMTRT-UHFFFAOYSA-N 428.470 4.092 5 20 IIBD CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 681997466 BVAUWEIARSLGQE-RUZDIDTESA-N 445.563 4.325 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1SC 728456583 LPLJLZGHFISNQL-UHFFFAOYSA-N 443.506 4.405 5 20 IIBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 731131001 ZYBFASNQVVQIER-GOSISDBHSA-N 426.860 4.422 5 20 IIBD COc1cc(C(=O)Oc2ccc(Br)c(F)c2)c([N+](=O)[O-])cc1OC(F)F 732741318 AMIVKZPBDCSSME-UHFFFAOYSA-N 436.136 4.326 5 20 IIBD CC(C)[C@H](c1ccccc1)N(C)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 732988258 SVIGCUCFWPDSAO-QGZVFWFLSA-N 427.320 4.375 5 20 IIBD CN(C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1cc(Cl)cc(Cl)c1 733227842 OHRZVYNHFREWCF-JTQLQIEISA-N 426.231 4.057 5 20 IIBD CCCCc1ccc(C(=O)COC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 733558598 MFAJYISTQHHNIR-QGZVFWFLSA-N 444.509 4.030 5 20 IIBD O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cc([N+](=O)[O-])ccc1Cl 733937269 NIVVLSUCKCXDMZ-LLVKDONJSA-N 429.782 4.156 5 20 IIBD Cc1c(CO)cc([N+](=O)[O-])c(N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)c1[N+](=O)[O-] 734485422 ZDOUGRHAJSLSAS-AWEZNQCLSA-N 440.378 4.013 5 20 IIBD CC(C)=CCSc1ccccc1C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 741370098 MLPSWPRROZFQNA-UHFFFAOYSA-N 444.465 4.177 5 20 IIBD C[C@H]1[C@@H](c2ccccc2)C[C@@H](C)N1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 742308016 BBEOXTHNILZNAQ-WWGRRREGSA-N 439.331 4.313 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 742890359 RAYPLGCQHSYXGS-LBPRGKRZSA-N 430.417 4.341 5 20 IIBD CC(C)=CC(=O)NCc1ccc(C(=O)OCc2cc([N+](=O)[O-])ccc2OC(C)C)cc1 745632827 OWPRDOVQQXYNRJ-UHFFFAOYSA-N 426.469 4.321 5 20 IIBD C[C@H](OC(=O)[C@H](C)c1ccc(Br)s1)C(=O)Nc1ccccc1[N+](=O)[O-] 745638490 GCGKQQARFHVMLE-ZJUUUORDSA-N 427.276 4.093 5 20 IIBD CN(C)c1ccc(C(=O)c2ccccc2C(=O)OCc2cccc3c[nH]nc23)cc1[N+](=O)[O-] 745952833 DDSAJBUCLWDFFO-UHFFFAOYSA-N 444.447 4.125 5 20 IIBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(c3ccc(F)cc3)CC2)c(Br)c1 746669086 CETLUAACGOAROF-UHFFFAOYSA-N 443.294 4.065 5 20 IIBD C[C@H](OC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ncc(C(C)(C)C)o1 747673690 QGUSZUNHTAFIDP-NSHDSACASA-N 431.474 4.078 5 20 IIBD C[C@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 747957849 CZMDJSOZUMDEKX-NZEYMJGSSA-N 443.525 4.205 5 20 IIBD O=C(OCCn1ccc([N+](=O)[O-])n1)c1cc(-c2nc3ccccc3s2)nc2ccccc12 748112038 LLHYZEVXVJIUKK-UHFFFAOYSA-N 445.460 4.473 5 20 IIBD O=C(OCCn1cc([N+](=O)[O-])cn1)c1cc(-c2nc3ccccc3s2)nc2ccccc12 748112360 NSZUDYJYBBIOEX-UHFFFAOYSA-N 445.460 4.473 5 20 IIBD CCNC(=O)c1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cc1 749420673 DPHYTDNJCIIWLB-UHFFFAOYSA-N 426.654 4.013 5 20 IIBD COc1cc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)ccc1NC(C)=O 749423006 ZOUZNTNKKMMHTF-UHFFFAOYSA-N 442.653 4.230 5 20 IIBD CCc1nnc(-c2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3Br)cc2)o1 754977508 PELYTOKBULMSKU-UHFFFAOYSA-N 435.209 4.361 5 20 IIBD CC(C)[C@@H](OC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C(=O)Nc1ccccc1C(F)(F)F 758083573 HTEVCHREQMZICQ-MRXNPFEDSA-N 443.353 4.155 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 758802033 ZWBUYCUFJIGHAM-ZOBUZTSGSA-N 445.520 4.331 5 20 IIBD CCCCCCn1nc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)c2ccccc2c1=O 759789560 JTYHOTNNCTYFML-UHFFFAOYSA-N 434.456 4.014 5 20 IIBD CCCn1nc(C)c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1C 760001947 MGOJQRXEMZCKSQ-GFCCVEGCSA-N 442.394 4.021 5 20 IIBD O=[N+]([O-])c1ccc(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)c(Br)c1 762311071 ZVVQZIUKXRPEIY-UHFFFAOYSA-N 444.201 4.388 5 20 IIBD O=C(c1cc(C(=O)N2CCC3(CCCC3)C2)cc([N+](=O)[O-])c1)N1CCC2(CCCC2)C1 763491372 IFPPISUKSNARIP-UHFFFAOYSA-N 425.529 4.407 5 20 IIBD COc1ccc(NC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)c2)cn1 764218599 JBOSTTXGGNTTDE-UHFFFAOYSA-N 426.816 4.156 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NS(=O)(=O)c1cc(Cl)sc1Cl 765588603 RZBIMVQHOZLVHC-SNVBAGLBSA-N 437.326 4.037 5 20 IIBD O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC(O)(c2ccccc2C(F)(F)F)CC1 765621322 HMNLDKJMVBXREP-UHFFFAOYSA-N 428.794 4.391 5 20 IIBD C[C@H](OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)Nc1cccc(Br)c1 766230259 HAKLPVXKXDLYDQ-NSHDSACASA-N 444.241 4.090 5 20 IIBD C[C@H](OC(=O)[C@H](C)Cc1ccc(Br)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 766236805 KDALLKVLUIQPFQ-OLZOCXBDSA-N 435.274 4.106 5 20 IIBD O=C(CCC(=O)c1ccc(Cl)cn1)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 769313390 UGZCBTHOONASCQ-NRFANRHFSA-N 425.828 4.334 5 20 IIBD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 769886087 CTVNXXWANIEAMT-GFCCVEGCSA-N 435.820 4.266 5 20 IIBD O=C(N[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1)c1cc2ccccc2o1 770006103 FVYLFGGJLOTTOH-OAHLLOKOSA-N 442.859 4.421 5 20 IIBD Cn1cnnc1Sc1ccc(C(=O)OCC2CCC(C(F)(F)F)CC2)cc1[N+](=O)[O-] 770309336 ZHXFUXABTNFDLD-UHFFFAOYSA-N 444.435 4.400 5 20 IIBD CCCN(C(=O)c1ccccc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(C)C 771514250 NWZIKTZDIJHIBB-UHFFFAOYSA-N 435.484 4.293 5 20 IIBD CCCc1cc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n(C)n1 772894901 DJNBCGHCCRYTFB-UHFFFAOYSA-N 441.875 4.439 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCc1nc(-c2cc3ccccc3o2)cs1 773902484 TUPMCZDJPNGJCM-UHFFFAOYSA-N 427.413 4.299 5 20 IIBD O=C(C[C@H]1C=CCCC1)NCCN1C(=O)S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 777412622 GROAGQVMHKFTPR-HNEYUBDGSA-N 449.916 4.147 5 20 IIBD COc1cc(COC(=O)c2cccc(-c3cnn(C)c3)c2)c([N+](=O)[O-])cc1OCC(F)F 780065860 JZZOVQNAUDRQBQ-UHFFFAOYSA-N 447.394 4.005 5 20 IIBD Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)c1ccccc1N(C)C(=O)c1cccs1 780637328 UIAGGDLIWXNTKT-UHFFFAOYSA-N 440.477 4.477 5 20 IIBD O=C(Nc1cccc(CSc2ccccn2)c1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781635181 FRCWAXUTFYKRLD-HXUWFJFHSA-N 434.477 4.414 5 20 IIBD C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781636840 SXDHUKBRHHYHOF-GFCCVEGCSA-N 425.363 4.202 5 20 IIBD C[C@@H]1CCCN(Cc2csc(NC(=O)c3cccc([N+](=O)[O-])c3Br)n2)C1 782163931 MRWMCPLBFHMKBM-LLVKDONJSA-N 439.335 4.298 5 20 IIBD Cc1ccc(C(=O)N(C)C)cc1OC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 782599514 SOKHIOOTTMSKOR-UHFFFAOYSA-N 434.448 4.403 5 20 IIBD COc1ccc(NC(=O)N(Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)cc1[N+](=O)[O-] 782622037 UUQZMPGQBYRZAY-VWLOTQADSA-N 447.491 4.472 5 20 IIBD COc1cc(C(=O)O[C@@H](C)c2noc(-c3ccccc3)n2)c([N+](=O)[O-])cc1OC(F)F 784646815 ACMKUMOKZSPYOQ-JTQLQIEISA-N 435.339 4.173 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@@H]1C[C@@H](O)c1ccco1 787338169 CGMLKLRCGDMWJG-GDBMZVCRSA-N 427.379 4.004 5 20 IIBD C[C@H]1C[C@H](NC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)O1 788440188 LNCPAQICEVRODB-GWCFXTLKSA-N 440.399 4.199 5 20 IIBD Cc1ccc([C@@H](NC(=O)COC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C2CC2)cc1 790746361 RCITUZKRRBMAOH-OAQYLSRUSA-N 434.851 4.049 5 20 IIBD COC(=O)c1cc(Br)cc(NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)c1Cl 790867390 SPFPQHTXKKQDMS-UHFFFAOYSA-N 445.628 4.497 5 20 IIBD COCC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1ccc(Cl)c(Cl)c1 791243162 CGXHXZCUGXGXOQ-MRXNPFEDSA-N 431.247 4.314 5 20 IIBD O=[N+]([O-])c1ccc(CN(Cc2ccccc2F)c2ccc3nc(O)[nH]c3c2)c([N+](=O)[O-])c1 792872546 OWPJLPLIUMELOQ-UHFFFAOYSA-N 437.387 4.431 5 20 IIBD Cc1ccc(Cl)c(S(=O)(=O)NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1Cl 793353530 QHYRYGGCNAOHPW-JTQLQIEISA-N 449.337 4.196 5 20 IIBD O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 798292433 HLJVMKDANQNIRL-QGZVFWFLSA-N 432.263 4.427 5 20 IIBD C[C@]1(C(F)(F)F)c2ccccc2CCN1C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 798791335 QWHSGQRRYUWDCQ-LJQANCHMSA-N 437.374 4.298 5 20 IIBD C/C(=C\c1ccccc1C(F)(F)F)COC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 800458021 RWRXRNFOJRRHFZ-KPKJPENVSA-N 443.399 4.277 5 20 IIBD Cc1cn(-c2ccc(F)cc2)nc1C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 801449981 POPQFESZQUVLAH-ZDUSSCGKSA-N 437.387 4.196 5 20 IIBD O=C(N[C@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1)OCc1ccccc1 802907768 XIAMNCITJWCLOS-FQEVSTJZSA-N 445.435 4.077 5 20 IIBD O=C(N[C@@H]1CSc2ccccc21)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 806829204 PANZIWBQHKIRCS-OAHLLOKOSA-N 434.315 4.272 5 20 IIBD O=C(Nc1ccc(OC(=O)[C@@H]2CCN(c3ccccc3F)C2)cc1)c1cccc([N+](=O)[O-])c1 810532394 DHEBSAIWGMDQLZ-QGZVFWFLSA-N 449.438 4.418 5 20 IIBD CCOc1cc(Br)c(F)cc1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 813306208 OKYPDJMDCCTTBK-UHFFFAOYSA-N 431.189 4.052 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O 815235359 TUQABLUQKLKFLC-LUQKVYGDSA-N 428.460 4.208 5 20 IIBD C[C@H](c1ccccc1Cl)N(C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)C1CC1 914479483 AVRIPPCIILWEBY-ZIAGYGMSSA-N 445.878 4.492 5 20 IIBD COc1ccc(CSCC(=O)O[C@@H](C)C(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] 914915534 CJQLMFINAFPWJL-HNNXBMFYSA-N 432.498 4.024 5 20 IIBD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCN(C(=O)/C=C\c2ccccc2)CC1 915283605 VFMFNKFJQYNBGI-TWGQIWQCSA-N 445.422 4.087 5 20 IIBD Cc1nc(COc2ccc(F)cc2)sc1C(=O)OCCOc1cccc([N+](=O)[O-])c1 915378438 KKFDAMWHTIDZEB-UHFFFAOYSA-N 432.429 4.314 5 20 IIBD CC(C)NC(=O)Nc1cccc(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 915448428 IJUPROAJSBHONH-ZDUSSCGKSA-N 439.428 4.093 5 20 IIBD COc1ccccc1[C@H](C)N(C)C(=O)COC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 919002240 YLQMOVNCESFDJN-HNNXBMFYSA-N 428.485 4.277 5 20 IIBD CNc1nc(C)ccc1C(=O)O[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 919140656 MUSBFTBTNULQDT-FQEVSTJZSA-N 434.452 4.185 5 20 IIBD COc1cccc2cc(CNS(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])oc12 1318852028 YMKJZZGTJYUHRY-UHFFFAOYSA-N 431.253 4.135 5 20 IIBD COC(=O)C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(C)cc1 1324873963 LAJPVCQUPIFZLL-QGZVFWFLSA-N 425.466 4.061 5 20 IIBD O=C(Nc1c(F)ccnc1F)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 1326054533 VBVXMUHAHLZHBQ-UHFFFAOYSA-N 430.333 4.142 5 20 IIBD O=[N+]([O-])c1ccc(Oc2ccc(-c3noc([C@@H]4CC45CCS(=O)(=O)CC5)n3)cc2)cc1 1327276197 XWKPSSKBDCDECZ-SFHVURJKSA-N 441.465 4.119 5 20 IIBD COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)C(C)(C)F)CCC3)cc2)c([N+](=O)[O-])c1 1790571202 GSSYYXUQQHOWLA-UHFFFAOYSA-N 443.475 4.028 5 20 IIBD Cc1ccc(/C=C/C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(F)c2[N+](=O)[O-])s1 1800530990 ZOKKQCBATWLLMF-OUYFJKQZSA-N 443.500 4.069 5 20 IIBD Cc1cc(C)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C3)c(C)c1 1803566891 IIBJWJBKHHESPQ-ACDBMABISA-N 439.487 4.225 5 20 IIBD Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)c4ccc([N+](=O)[O-])o4)CC3)C2)s1 1806981017 FUCNBADDDRSGFP-UHFFFAOYSA-N 445.541 4.035 5 20 IIBD Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC12CN(C(=O)c1ccc([N+](=O)[O-])cc1F)C2 1842453576 JRJCOGDCTZVRBP-UHFFFAOYSA-N 443.475 4.064 5 20 IIBD Cc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cc(Cl)cc([N+](=O)[O-])c3C)C2)cc1C 1845499764 GDWXGAAGOBNFTF-UHFFFAOYSA-N 441.915 4.304 5 20 IIBD C[C@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Br)cc1 9352356 CRAUVXPPEIJJOB-NSHDSACASA-N 439.287 4.020 5 20 IIBD O=C(COC(=O)COc1ccccc1[N+](=O)[O-])Nc1ccccc1Sc1ccccc1 11113573 PPERVIBCCRILAC-UHFFFAOYSA-N 438.461 4.307 5 20 IIBD C[C@@H](OC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 11467623 WDOSKEMSGKZYEU-LLVKDONJSA-N 447.419 4.109 5 20 IIBD CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 15995894 ZDUCWVBHOQNPDL-UHFFFAOYSA-N 445.884 4.326 5 20 IIBD C[C@@H](OC(=O)c1ccc(F)cc1Br)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 17836780 ADTCOXXCPUIWGU-MRVPVSSYSA-N 445.628 4.334 5 20 IIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(N2CCCC2=O)cc1 18104499 CINSIYMUUKPXBM-UHFFFAOYSA-N 439.415 4.471 5 20 IIBD CCN(CC)C(=O)c1cccc(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)c1 18275314 WONXTDRKVHXLTC-UHFFFAOYSA-N 444.538 4.417 5 20 IIBD COc1ccc(Br)cc1CN(C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 26325958 NLXGKNKDMSJWLJ-ZDUSSCGKSA-N 436.306 4.133 5 20 IIBD COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COc2ccc([N+](=O)[O-])cc2F)cc1 71912247 JGRMPGMWXUNMNC-JOCHJYFZSA-N 449.438 4.499 5 20 IIBD Cc1c(C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)nnn1-c1cccc([N+](=O)[O-])c1 97167119 SSAFTJLHBQDVTF-QFIPXVFZSA-N 431.427 4.142 5 20 IIBD C[C@@H](NC(=O)C1(c2ccc(Br)cc2)CCOCC1)c1cccc([N+](=O)[O-])c1 110118905 INFBRCBEIVQBJK-CQSZACIVSA-N 433.302 4.283 5 20 IIBD COc1ccc(C)c2c1N(C(=O)c1ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc1)CCC2 110612466 TWKVQQJXKSXMLV-UHFFFAOYSA-N 434.496 4.366 5 20 IIBD O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 116637366 MUAPLZJTNQTYRG-UHFFFAOYSA-N 442.357 4.442 5 20 IIBD Cc1ccccc1N1CCN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 195603114 ZAPNDEXXHYAZHV-IBGZPJMESA-N 445.523 4.434 5 20 IIBD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 216062367 GJNDKYOXXVLYSV-UHFFFAOYSA-N 447.875 4.200 5 20 IIBD Cc1csc([C@H](Nc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])C2CC2)n1 301418242 BHPCKPTUPLRBJY-GOSISDBHSA-N 436.559 4.098 5 20 IIBD CCCc1ccc([C@@H](NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C(C)C)cc1 303720355 WATSMNAQGGTSPA-NRFANRHFSA-N 431.920 4.444 5 20 IIBD COc1cc(CCNC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c([N+](=O)[O-])cc1OC 410183158 ADXFZUGGFQTCDQ-MRXNPFEDSA-N 430.501 4.170 5 20 IIBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC(F)(c2ccc(Cl)cc2)CC1 410195978 NXGBYNJPVOIRAU-UHFFFAOYSA-N 434.851 4.049 5 20 IIBD O=C(O)[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1cnc(-c2cccs2)s1 426735434 FMZMMKFYSNEQRM-MRXNPFEDSA-N 428.495 4.047 5 20 IIBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 427266511 JVIFUPRWLUVDAH-FQEVSTJZSA-N 446.916 4.011 5 20 IIBD CC(C)(NCc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)c1ccccc1[N+](=O)[O-] 429279007 ZQUUSEJKDICCMR-UHFFFAOYSA-N 431.539 4.147 5 20 IIBD CCCc1c(NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)cnn1-c1ccc(F)cc1 429334502 MVWSCVLTYKBTPK-UHFFFAOYSA-N 449.446 4.014 5 20 IIBD Cc1csc([C@@H](C)CNc2ccc([N+](=O)[O-])c(NC[C@@H](C)c3nc(C)cs3)n2)n1 433770580 GXFGCWCJWIHUBG-NWDGAFQWSA-N 432.575 4.951 5 20 IIBD COc1cccc(C(=O)Nc2ccc(Oc3cccc(S(C)(=O)=O)c3)cc2)c1[N+](=O)[O-] 435872671 PUAUXNZKHIYCLK-UHFFFAOYSA-N 442.449 4.052 5 20 IIBD COc1cccc(C(=O)N[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)c1[N+](=O)[O-] 436039437 GHJZAEBRBVRPES-IBGZPJMESA-N 448.401 4.439 5 20 IIBD CCOc1ccc(C(=O)N2CCC(Nc3cc(C(F)(F)F)ncc3[N+](=O)[O-])CC2)cc1 436275988 QOWSKVNYPZCNGQ-UHFFFAOYSA-N 438.406 4.124 5 20 IIBD Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437137820 ZOENYAFUFATOBX-UHFFFAOYSA-N 449.307 4.466 5 20 IIBD CCOC(=O)c1sc(N(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C2CC2)nc1C 437346844 LQRMVSPMTFGTDT-UHFFFAOYSA-N 443.403 4.364 5 20 IIBD Cc1ccc([C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H](C)S(C)(=O)=O)cc1 437351069 XKPFNWDAOJEVGP-OPAMFIHVSA-N 428.510 4.427 5 20 IIBD CN(C)C(=O)c1cc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1F 438447879 PZIBCPJDFYFCOV-UHFFFAOYSA-N 445.394 4.185 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1c(C)noc1C)Cc1c(C)noc1C 439882843 LIVNGHNXVPWCRT-UHFFFAOYSA-N 443.460 4.437 5 20 IIBD Cc1cncc(N(Cc2ccncc2)S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1 442621502 YNEKMEMDPRHLFM-UHFFFAOYSA-N 432.889 4.051 5 20 IIBD Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 443882280 KMFAKXABUUZERX-INIZCTEOSA-N 439.415 4.076 5 20 IIBD Cc1nncn1-c1cccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 444290736 RKOOPGOGVPDSBC-UHFFFAOYSA-N 431.402 4.101 5 20 IIBD O=C(c1c(-n2cccc2)sc2c1CCSC2)N1CCc2ccc([N+](=O)[O-])cc2C1 446431303 MEAJISIIUHYVEK-UHFFFAOYSA-N 425.535 4.435 5 20 IIBD Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)c12 446438654 RGJJDAYVBHSJMA-UHFFFAOYSA-N 433.493 4.112 5 20 IIBD CCC(=O)c1ccc(OCCCCC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 461412422 BWQYPPHYYXSJHZ-UHFFFAOYSA-N 426.469 4.158 5 20 IIBD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN(c2ccccc2F)C1 462359846 SLKHFDGVCIKCSF-ZDUSSCGKSA-N 436.281 4.061 5 20 IIBD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC(=O)Nc1ccc(Br)cc1 462427585 MWXIXWPLQPVOEI-OAHLLOKOSA-N 448.317 4.071 5 20 IIBD COc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1N1CCCCC1=O 463387108 DNGVDPGUVNOMHN-UHFFFAOYSA-N 437.374 4.391 5 20 IIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1ccccc1)[C@H](C)c1ccccc1 463874099 JTULGTUKXLUCED-QGZVFWFLSA-N 433.464 4.332 5 20 IIBD C[C@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(NC(=O)NC2CC2)cc1 467214914 FZBBYRUHYAPPER-LBPRGKRZSA-N 431.880 4.093 5 20 IIBD CCN([C@@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 469181740 GCSOQQQWICPUPE-QFIPXVFZSA-N 441.509 4.107 5 20 IIBD CC(C)(C)[C@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccc(F)cc1F 469589765 AAPIPCRKRCRLBY-HXUWFJFHSA-N 445.422 4.044 5 20 IIBD COC[C@H](Cc1ccccc1)NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 471598980 ZSOZYNPPRAKMHN-HNNXBMFYSA-N 428.432 4.080 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H](OCc3ccccc3)C2(C)C)cc1OC 471704895 HIQLJSQHBPYOJO-RTWAWAEBSA-N 428.485 4.116 5 20 IIBD C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 473617855 MFYVALCNNBDITA-BFHBOCCVSA-N 427.429 4.159 5 20 IIBD CCc1ccccc1N(C(C)=O)c1nc(CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cs1 477048429 KKZODQYTZDQKTI-UHFFFAOYSA-N 445.522 4.272 5 20 IIBD COc1c(C(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)cccc1[N+](=O)[O-] 477123470 CAJWQTPXZBGXOD-HNNXBMFYSA-N 434.290 4.083 5 20 IIBD O=c1c(Br)cn(CCOc2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-] 477395487 VDQJNRJFUGZFTJ-UHFFFAOYSA-N 431.242 4.390 5 20 IIBD CSc1ccc(Cl)c(C(=O)N2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)c1 478099770 DXQRJLZFMCXENM-UHFFFAOYSA-N 445.932 4.199 5 20 IIBD Cc1ccccc1CN(Cc1cccnc1)S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C 481957429 LDGFZRDCYNTANM-UHFFFAOYSA-N 425.510 4.306 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)NCc2cccc(NC(=O)CC(C)C)c2)cc1SC 483376796 ORTIWWMADNYXQH-UHFFFAOYSA-N 431.514 4.240 5 20 IIBD O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1cc2sc(N3CCCC3)nc2s1 483486045 ANTWNLUPYYBVOO-UHFFFAOYSA-N 440.510 4.304 5 20 IIBD O=[N+]([O-])c1ccc2nc(CSc3nnc4c(Cl)cc(C(F)(F)F)cn34)[nH]c2c1 484499113 WFGMKBUOYQDHJN-UHFFFAOYSA-N 428.783 4.478 5 20 IIBD Cc1cc([C@H]2CCCN2c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])ccc1Br 485409728 PTJFCXYYJHDLOR-CYBMUJFWSA-N 445.360 4.472 5 20 IIBD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1csc(-c2ncccc2F)n1 486686945 UVZAMTLVYARSRN-UHFFFAOYSA-N 426.351 4.201 5 20 IIBD CC(C)(C)[C@H]1C[C@H](Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])CCO1 487076078 QFWVBOZSBYMLFF-OXQOHEQNSA-N 433.530 4.401 5 20 IIBD COC(=O)c1cc(NC(=O)NCc2nc(-c3ccccc3F)cs2)c(C)c([N+](=O)[O-])c1 489091861 OMUJUAPOMRQVPW-UHFFFAOYSA-N 444.444 4.274 5 20 IIBD CCn1c(S[C@H](C(=O)N2C[C@H](C)C[C@@H](C)C2)C(C)C)nnc1-c1ccc([N+](=O)[O-])cc1 489394111 UEPTZMWGGPTGBK-MDZRGWNJSA-N 445.589 4.494 5 20 IIBD Cc1ccc(CCC2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCCO)CC2)cc1 498063393 XAWFLMBSYBJMIS-UHFFFAOYSA-N 428.554 4.473 5 20 IIBD C[C@H]1C[C@@H](N(C)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCN1Cc1ccccc1 498495140 OLGQGJNUBAGWOI-UWJYYQICSA-N 444.963 4.485 5 20 IIBD C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 500196496 ZFDYERKHXZFLLN-GFCCVEGCSA-N 428.286 4.355 5 20 IIBD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOC[C@H]1c1nc2ccccc2s1 500710571 FKAWJVPEGXOYME-GUYCJALGSA-N 429.523 4.285 5 20 IIBD CC1CCN(c2nnc(SCc3c(F)cccc3[N+](=O)[O-])n2Cc2ccco2)CC1 504513995 QKACUKRCMFZQNG-UHFFFAOYSA-N 431.493 4.495 5 20 IIBD C[C@H](NC(=O)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)c1ccc(OC(F)(F)F)cc1 504555924 PWLVHDPNIUSEQA-ZDUSSCGKSA-N 434.374 4.234 5 20 IIBD Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@@H]3CC=CC[C@H]3C)cc2)cc1[N+](=O)[O-] 504623051 VWTKLFLGDLINPC-AUUYWEPGSA-N 429.498 4.245 5 20 IIBD CC[C@@H](CSc1ccc(C)c(C)c1)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 504691405 HTEYTNZFJKQLQW-KRWDZBQOSA-N 425.514 4.093 5 20 IIBD O=C(N[C@H]1CCOc2c(-c3ccccc3)cccc21)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 505139812 PGFRHIQDAMHSLC-FQEVSTJZSA-N 441.447 4.096 5 20 IIBD CCS(=O)(=O)c1ccc([C@H](C)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 505654346 HRMMYZQUAHMJJU-INIZCTEOSA-N 433.530 4.070 5 20 IIBD COc1ccc(-c2nc(C)c([C@@H](C)NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 506262599 FOOZVOFDJFAVQS-CYBMUJFWSA-N 433.511 4.075 5 20 IIBD CCOc1ccc(C2=CCN([C@@H](C)C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])CC2)cc1 509462958 KVNGOPRYNCOLBS-INIZCTEOSA-N 425.485 4.118 5 20 IIBD Cc1noc(COc2ccc(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)cc2)n1 510572164 KDDNGNSLSJCXSJ-UHFFFAOYSA-N 437.437 4.241 5 20 IIBD CC(=O)Nc1cccc2c1CCCN2C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 510599867 MJINHAFMYJDQQJ-UHFFFAOYSA-N 432.274 4.217 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H](C[C@@H]1CCOC1)c1ccccc1 512999734 UIUYWTPECAANTE-BLLLJJGKSA-N 445.324 4.348 5 20 IIBD CC[C@H](C)COc1cc([N+](=O)[O-])c(CNc2ccc(F)c(C(=O)N(C)C)c2)cc1OC 513608493 LEGDDFQMNHKGJW-AWEZNQCLSA-N 433.480 4.481 5 20 IIBD O=C(Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 513972328 AMVNBIFICCDEID-UHFFFAOYSA-N 435.827 4.245 5 20 IIBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1ccccc1CN1CCc2ccccc21 515807498 WZLGUOGLOSGNEZ-UHFFFAOYSA-N 431.496 4.391 5 20 IIBD O=C(CCC1CCCCC1)N1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 517098035 IXEWIZASDDAMKY-UHFFFAOYSA-N 429.542 4.454 5 20 IIBD O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 520227975 MFPIRKKPQYSCBX-UHFFFAOYSA-N 426.845 4.205 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H]2c2cccc(Br)c2)cc1SC 520347769 ULQQPSPINZBVMK-OCCSQVGLSA-N 437.315 4.374 5 20 IIBD COc1cc(OCC(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)ccc1[N+](=O)[O-] 520968598 ZEFUELSPTOJSDD-UHFFFAOYSA-N 443.843 4.248 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC3(CCOCC3)[C@H]2C2CC2)cc1 521661621 GYPHUJWNOILVSZ-JOCHJYFZSA-N 438.480 4.427 5 20 IIBD O=C(c1c(-n2cccc2)sc2c1CCCC2)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 522860795 CKKTWNFJBLSANA-HNNXBMFYSA-N 437.525 4.047 5 20 IIBD CN(C)Cc1ccc(-c2ccccc2CNC(=O)NCCc2cccc([N+](=O)[O-])c2)cc1 533893235 SXAGSFKYRCSMBQ-UHFFFAOYSA-N 432.524 4.365 5 20 IIBD CC(C)N(Cc1ccccn1)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 534345224 PFWAIQXRZRMYPM-UHFFFAOYSA-N 425.411 4.041 5 20 IIBD O=C(Nc1cc(F)c(I)c(F)c1)c1c[nH]c2cccc([N+](=O)[O-])c12 534957698 NWXWKFQQMLZXTI-UHFFFAOYSA-N 443.147 4.211 5 20 IIBD CCC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 535501131 BHGZDXSFMDWSLH-CYBMUJFWSA-N 439.921 4.109 5 20 IIBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC(c3ccccc3C(F)(F)F)CC2)s1 535791075 KFELWHXOSUSIAJ-UHFFFAOYSA-N 434.461 4.463 5 20 IIBD O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1cccc(C(=O)N2CCc3ccccc32)c1 536283301 GSYBTPXZKZNFAQ-UHFFFAOYSA-N 430.464 4.162 5 20 IIBD O=[N+]([O-])c1ccc(-c2ccc(CN3CCS[C@H]4COCC[C@@H]43)o2)c(Br)c1 538810434 NTYGEVDAABIDPI-WMZOPIPTSA-N 439.331 4.324 5 20 IIBD COc1ccccc1COC1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 539899760 TWBIULXWJDHMFB-UHFFFAOYSA-N 439.512 4.025 5 20 IIBD COc1ccc(CSCC(=O)Nc2cc(C)nn2[C@@H]2C[C@H]3CC[C@H]2C3)cc1[N+](=O)[O-] 540447545 DFKFVSAYUWIICZ-BHYGNILZSA-N 430.530 4.341 5 20 IIBD COc1ccc(-c2nc(C)c([C@H](C)NC[C@H](O)COc3cccc([N+](=O)[O-])c3)s2)cc1 541646559 QSAYXQWNELDXEK-KSSFIOAISA-N 443.525 4.126 5 20 IIBD C[C@H](C(=O)N[C@H](C)Cc1cc(Br)ccc1F)c1ccc([N+](=O)[O-])cc1F 542527654 ZGBYEBMUBRKWRH-MNOVXSKESA-N 427.245 4.486 5 20 IIBD CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 543515876 ARPBBAJKDKSLGX-AEFFLSMTSA-N 437.265 4.489 5 20 IIBD O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 543915819 PXLKKBMHIGRRHG-NSHDSACASA-N 447.211 4.050 5 20 IIBD Cc1c(C(=O)N2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)CC2)sc2ccccc12 544623267 SOXWXPYSXUZYQC-UHFFFAOYSA-N 442.472 4.247 5 20 IIBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 546067264 ANQAEORYOVJDOO-HXUWFJFHSA-N 432.448 4.276 5 20 IIBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(OCc2cscn2)c(OC)c1 547372536 ABLXIPBFGNCYCR-UHFFFAOYSA-N 429.454 4.290 5 20 IIBD C[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1 551723001 CBJCYGALWOUUJD-LBPRGKRZSA-N 435.427 4.310 5 20 IIBD O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 553229179 HVHVXAXSPCVNFM-NSPYISDASA-N 447.282 4.300 5 20 IIBD CNc1ccc(C(=O)Nc2c(-c3ccc(Br)cc3)nc(C)n2C)cc1[N+](=O)[O-] 558938741 PGIOXCODPMQHDI-UHFFFAOYSA-N 444.289 4.360 5 20 IIBD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] 560186978 BJZVSSBTYOIHKP-IEBWSBKVSA-N 445.903 4.131 5 20 IIBD O=C(NC[C@H](NCc1ccccc1)c1ccco1)c1cc(Br)cc([N+](=O)[O-])c1 561083389 KDGBTYBBELRCDJ-SFHVURJKSA-N 444.285 4.211 5 20 IIBD Cc1c(Br)cc(C(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)cc1[N+](=O)[O-] 561182962 KQMMLOLUEGTMQY-ZHALLVOQSA-N 445.313 4.310 5 20 IIBD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCCCO[C@H]2CCCCO2)cc1 561392291 GGRWTYFIHANLKS-NRFANRHFSA-N 430.457 4.059 5 20 IIBD CSc1ccc([C@@H](CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])N(C)C)cc1 569383090 OKECEPVSMJUNHE-FZKQIMNGSA-N 437.949 4.157 5 20 IIBD CCc1c(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)nnn1Cc1ccc(F)cc1 577987452 ILKLGWVYZDGUQJ-CYBMUJFWSA-N 429.477 4.055 5 20 IIBD Cc1cc(C(=O)N(CCc2ccc(Cl)cc2)C[C@H](O)C(F)(F)F)cc([N+](=O)[O-])c1 580984437 NLSWADHHNLRGNU-KRWDZBQOSA-N 430.810 4.165 5 20 IIBD C[S@@](=O)Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cc1 588088022 WGGNAMQRKCRRRP-GDLZYMKVSA-N 432.567 4.438 5 20 IIBD CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3SC3CCCC3)[C@H]2C1 589101137 SMRQNSRDUCMLBT-YSSFQJQWSA-N 431.558 4.006 5 20 IIBD O=[N+]([O-])c1cc(I)cc(CNC2CCN(c3cccs3)CC2)c1 589314631 HLESYBIXCFGAJV-UHFFFAOYSA-N 443.310 4.020 5 20 IIBD O=C(c1cccc2ccccc12)N1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 603491141 LMLXGCRHKLKTEU-UHFFFAOYSA-N 440.297 4.473 5 20 IIBD CCC(=O)Nc1cccc(CNc2ccc(I)cc2[N+](=O)[O-])c1 603866100 MRPHNZJYKYXCPK-UHFFFAOYSA-N 425.226 4.160 5 20 IIBD COc1cc(C(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)c([N+](=O)[O-])cc1OC 604457048 PDQWTLRFYKDJSK-UHFFFAOYSA-N 441.484 4.061 5 20 IIBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc(C)cs2)c1 608877659 PMLKHXCRJVOBLF-UHFFFAOYSA-N 446.510 4.030 5 20 IIBD O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N(CCc1ccccc1)Cc1cccnc1 608879948 IRUYCJZNQRGELB-UHFFFAOYSA-N 427.464 4.061 5 20 IIBD Cc1cc(Sc2ncccn2)ccc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 608895604 XXZVTJZQZXMAKF-UHFFFAOYSA-N 432.465 4.282 5 20 IIBD Cc1nnc([C@@H]2Cc3ccccc3CN2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)o1 609193225 UVNDQFWYSFZGTQ-FQEVSTJZSA-N 431.452 4.283 5 20 IIBD COC(=O)c1ccc2c(c1)CN(C(=O)c1ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c1)C2 609301369 ZRNUCPQBAQLABH-HNNXBMFYSA-N 446.463 4.106 5 20 IIBD Cc1cccc(Oc2ccccc2CNC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)c1 609307356 IUQPVTVLKJRECL-KRWDZBQOSA-N 433.464 4.130 5 20 IIBD CCC[C@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)Nc1cccc(N2CCCC2)c1 609503314 NUOBYIGFDMSRKM-SFHVURJKSA-N 444.919 4.386 5 20 IIBD COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)c2ccccc12 609563024 GZZRLSPORCWBLI-INIZCTEOSA-N 433.464 4.248 5 20 IIBD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 609784912 NLXCXQNQRQYBFX-UHFFFAOYSA-N 438.793 4.312 5 20 IIBD O=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 609883256 MGLZBKHIHXNNQP-NSHDSACASA-N 449.945 4.084 5 20 IIBD COc1cccc(Nc2ccccc2C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 609910707 NLMWXUZWHPIDKI-UHFFFAOYSA-N 432.480 4.309 5 20 IIBD CCOC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)ccc1Cl 610041237 VDCDVKPEHSKQPB-UHFFFAOYSA-N 427.638 4.440 5 20 IIBD COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 610159921 SRBXSWAUAHCTCR-INIZCTEOSA-N 432.904 4.289 5 20 IIBD CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 610243536 IIVIRJOKQSIFHD-OAQYLSRUSA-N 428.439 4.263 5 20 IIBD CS(=O)(=O)c1ccc(N2CCC[C@@H]2c2ccccc2Br)c([N+](=O)[O-])c1 610677964 XHGPJEAQOZXHBX-OAHLLOKOSA-N 425.304 4.102 5 20 IIBD Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(F)cc2OC2CCCC2)cc1[N+](=O)[O-] 610904912 GWTRJZBDIVLJNH-CQSZACIVSA-N 429.448 4.180 5 20 IIBD Cc1c(CC(=O)N2CCc3[nH]c4c(Br)cccc4c3C2)cccc1[N+](=O)[O-] 610968931 ASVBIBZDRCJFAX-UHFFFAOYSA-N 428.286 4.274 5 20 IIBD CC(=O)N1CCCCC[C@H]1C1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 611271494 GTZAXHIQLCFRII-IBGZPJMESA-N 425.476 4.199 5 20 IIBD Cn1ccnc1[C@@H](NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc([N+](=O)[O-])cc1 611560460 IZHKORXDLZDOLR-KKSFZXQISA-N 425.920 4.187 5 20 IIBD Cc1nc(-c2ccc([C@H](C)NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cs1 611997518 BSELHRBUOXYRIT-AWEZNQCLSA-N 438.509 4.024 5 20 IIBD C[C@@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccc2nc(O)[nH]c2c1 681961778 OWNOVLRHOFUFCI-SNVBAGLBSA-N 434.402 4.032 5 20 IIBD COc1ccc(COC(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)cc1[N+](=O)[O-] 728384284 DBWSSYKMRWAWFB-UHFFFAOYSA-N 438.358 4.106 5 20 IIBD Cc1ccc(C)c(S(=O)(=O)C2(C(=O)OCc3c(F)cccc3[N+](=O)[O-])CCCC2)c1 728987684 DBKBMSZCULLZJV-UHFFFAOYSA-N 435.473 4.181 5 20 IIBD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)C1CCN(c2nc3ccccc3o2)CC1 729112872 GGKFIWATYYEYPD-UHFFFAOYSA-N 439.468 4.483 5 20 IIBD CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 730230328 HXARRYFYDKUFLN-HNNXBMFYSA-N 427.457 4.126 5 20 IIBD C/C(=C/C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Cl 730703664 ISBVACAQMBAFQT-UGEDRFTOSA-N 428.872 4.500 5 20 IIBD COc1cc(OCC(=O)Oc2ccc(NC(=O)C3CCCCC3)cc2)ccc1[N+](=O)[O-] 732001437 PQJMCZKFCBEJOL-UHFFFAOYSA-N 428.441 4.107 5 20 IIBD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCCCOc1cccc2cccnc12 732044337 RPQUYNWLMNXRFO-UHFFFAOYSA-N 437.424 4.020 5 20 IIBD Cc1c(C(=O)Nc2cccc(CNC(=O)OC(C)(C)C)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 732124630 PATUUCAJRAOIRN-UHFFFAOYSA-N 444.444 4.397 5 20 IIBD Cc1ccc(NC(=O)[C@H](OC(=O)c2ccnc(C3CC3)n2)c2ccccc2)c([N+](=O)[O-])c1 732698473 VQEPJXBTJDTDKJ-HXUWFJFHSA-N 432.436 4.107 5 20 IIBD CCN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H](c1cccnc1)c1ccc(F)c(C)c1 733109613 MJPUQHRCMFETMK-DEOSSOPVSA-N 447.470 4.425 5 20 IIBD CN1C(=O)CC[C@@H](C(=O)OCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(C(F)(F)F)cc1 734389836 NFLXQLHRZKFPIL-IEBWSBKVSA-N 436.386 4.267 5 20 IIBD O=C(CCc1nc(O)c2c3c(sc2n1)CCC3)OCc1cc([N+](=O)[O-])ccc1Cl 735529112 XVHUCGYBOOPGIT-UHFFFAOYSA-N 433.873 4.123 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@H](O)c2c(F)cccc2Cl)CC1 741297749 GRZJMFPQNPVBNW-IBGZPJMESA-N 435.883 4.087 5 20 IIBD CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 741932339 TVVUSMFEQQJRFU-VLIAUNLRSA-N 430.888 4.291 5 20 IIBD CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 741985162 CGHAKIPPOLKASI-MSOLQXFVSA-N 446.548 4.008 5 20 IIBD CC(C)(C)OC(=O)Nc1ccc(OS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 742314546 FMFBDPLZZXVCFB-UHFFFAOYSA-N 428.850 4.363 5 20 IIBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1 744049253 SZIGHFPFFYMGDI-UHFFFAOYSA-N 437.239 4.451 5 20 IIBD CCc1ccc([C@@H](C)NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 744562474 KTAIOANSDNIIOS-SJORKVTESA-N 439.512 4.180 5 20 IIBD COc1ccc(OCCOC(=O)[C@H](C)Oc2cccc(Cl)c2Cl)c([N+](=O)[O-])c1 744740116 CIUUNVOQRRMYOR-NSHDSACASA-N 430.240 4.300 5 20 IIBD O=C(Nc1ncccc1OCc1cccc(Cl)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 746562350 JCLSMAFMZBGBIE-UHFFFAOYSA-N 428.788 4.383 5 20 IIBD O=C(OC1CCN(CC(F)(F)F)CC1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 747187331 UZTLUDSPMJIDFR-UHFFFAOYSA-N 437.418 4.390 5 20 IIBD CC(C)(C)OC(=O)NC(C)(C)C(C)(C)C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 748144157 BMIHWXWRQHYAPW-UHFFFAOYSA-N 448.476 4.018 5 20 IIBD O=C(Nc1ccc2nc(C3CC3)oc2c1)c1cc([N+](=O)[O-])ccc1I 750958142 JUNUIGDELLYMLU-UHFFFAOYSA-N 449.204 4.470 5 20 IIBD O=C(NCc1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)C[C@@]1(O)CCc2ccccc21 752662150 RENVXSUJNQBGHF-VWLOTQADSA-N 431.492 4.141 5 20 IIBD COc1ccc(Br)c(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1 753079701 DVWPYMKITSKUBR-UHFFFAOYSA-N 435.683 4.129 5 20 IIBD C[C@@H](C(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccc([N+](=O)[O-])cc1F 754427981 AQCARZLOBVCOGH-OAHLLOKOSA-N 435.496 4.087 5 20 IIBD Cc1cc(COC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)nc(C)n1 754493042 YXHCHSNNJPSZTJ-UHFFFAOYSA-N 443.463 4.140 5 20 IIBD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCc2ccc(Br)cc21 754636873 RJCSJFWGJRFMBA-UHFFFAOYSA-N 444.054 4.462 5 20 IIBD CCOc1cc(COC(=O)Cc2csc(Cc3ccc(F)cc3)n2)ccc1[N+](=O)[O-] 755532969 ZHLOCELYVFZSTA-UHFFFAOYSA-N 430.457 4.466 5 20 IIBD O=C(Nc1cccc2ccncc12)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 755601842 INPUKGXKSZOWHM-UHFFFAOYSA-N 449.444 4.163 5 20 IIBD COc1ccc(CCC(C)=O)cc1OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 756030904 RZKCMWJMYKANBO-UHFFFAOYSA-N 426.469 4.335 5 20 IIBD CC1([C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)C2)OCCO1 756211002 FSVFDOOALNHTDD-QGZVFWFLSA-N 434.558 4.492 5 20 IIBD O=C(CCNc1ccccc1[N+](=O)[O-])N(Cc1ccccc1)C[C@@H](O)c1ccsc1 757090706 PEXUWGWKBNBZCZ-OAQYLSRUSA-N 425.510 4.221 5 20 IIBD CCOC(=O)CN(C(=O)c1cccc([N+](=O)[O-])c1Br)[C@H](C)c1ccccc1 758861502 GRHCEGSOFXJXQA-CYBMUJFWSA-N 435.274 4.124 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Oc1ccc(-c2noc([C@H]3CCCO3)n2)cc1 759316375 CVASGBREZXLPED-LJQANCHMSA-N 434.408 4.126 5 20 IIBD COc1ccc2cccc(Cc3noc(CCc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])n3)c2c1 762120393 FITRQBZWVAWEQO-UHFFFAOYSA-N 434.408 4.424 5 20 IIBD CCC(CC)[C@H](O)CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 762429623 IVPJZRBGWLMZCR-LJQANCHMSA-N 433.892 4.027 5 20 IIBD CN1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)[C@@H]1c1ccc(Cl)c(F)c1 762575731 ZDWBQIQYRQRYMW-XOBRGWDASA-N 448.882 4.449 5 20 IIBD O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N(Cc1ccccc1)C[C@@H](O)c1cccs1 764566062 LVBVAQBMKNVPCY-OAQYLSRUSA-N 448.504 4.218 5 20 IIBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 765073426 FXTABMWLUJYQJO-UHFFFAOYSA-N 447.413 4.148 5 20 IIBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC[C@@H]1c1cc(F)cc(Br)c1 767153954 PSQMHXRMWWBUNB-MRXNPFEDSA-N 441.228 4.378 5 20 IIBD CC(C)(C)OC(=O)N(CC(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 768063124 QZPFNBWDCVUJFK-UHFFFAOYSA-N 427.413 4.221 5 20 IIBD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 768544635 PSPCZPGIIXNAQL-JXFKEZNVSA-N 443.548 4.263 5 20 IIBD O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 768627727 VHVZYEZXFGOLFR-ZDUSSCGKSA-N 431.370 4.497 5 20 IIBD CC(C)(c1ccccc1)[C@H](OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F 771368351 SFZBBUAFPGTBHF-IBGZPJMESA-N 438.402 4.167 5 20 IIBD Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 772031730 DWXBSDPTIZQBNT-UHFFFAOYSA-N 433.342 4.352 5 20 IIBD Cc1cccc(-c2nc(C)c(C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)[nH]2)c1 772108320 KNWACNZWFKJGOO-CYBMUJFWSA-N 442.859 4.439 5 20 IIBD Cc1noc(C)c1CN(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 772473528 YAAJOLKZAKBABK-UHFFFAOYSA-N 446.510 4.009 5 20 IIBD O=[N+]([O-])c1cccc(Br)c1CN1CCC(O)(c2ccccc2Cl)CC1 775120839 BMZGOMKXEDZWLC-UHFFFAOYSA-N 425.710 4.494 5 20 IIBD CC(C)(C)OC(=O)N[C@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 778464398 SURSCPDNVQONKN-SFHVURJKSA-N 433.892 4.173 5 20 IIBD Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)c1cccc(CS(=O)(=O)NC(C)(C)C)c1 778790525 JVIYMGQYELXGJV-HNNXBMFYSA-N 434.514 4.039 5 20 IIBD O=C(O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)c1cnc(Cc2ccc(F)cc2)s1 778799420 VOGZPXLGCKRJQL-GOSISDBHSA-N 427.457 4.217 5 20 IIBD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1)CC2 781015406 VTJVNJWDNURSLU-NRFANRHFSA-N 445.475 4.059 5 20 IIBD C[C@@H]1CCc2ccccc2N1C(=O)COC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 781259597 NVJWLPATGXKVSR-MRXNPFEDSA-N 426.472 4.206 5 20 IIBD O=C(COc1ccccc1C(=O)OCc1ccc([N+](=O)[O-])c(F)c1)Nc1ccccc1F 781871972 RZRWJZOBHLDHLW-UHFFFAOYSA-N 442.374 4.248 5 20 IIBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCc1ccc(-c2nc3ccccc3[nH]2)cc1 781966855 YVGNEJKERSMCKI-UHFFFAOYSA-N 445.435 4.295 5 20 IIBD CCN1C(=S)N[C@@H](c2scnc2C2CC2)C(C(=O)Nc2cccc([N+](=O)[O-])c2)=C1C 783654509 OMKHOGUTVAVISZ-QGZVFWFLSA-N 443.554 4.093 5 20 IIBD COc1ccc(C(=O)Nc2ccc(C(=O)OCc3ccc([N+](=O)[O-])c(F)c3)s2)cc1 784119888 CLHNUECEPZNQJM-UHFFFAOYSA-N 430.413 4.413 5 20 IIBD O=C(Nc1ccc(Oc2cccc(F)c2F)nc1)c1cc([N+](=O)[O-])c2nsnc2c1 787646819 JSBWCTIQBSBJEG-UHFFFAOYSA-N 429.364 4.317 5 20 IIBD Cc1ccc(Cn2nc(C)c(CCC(=O)OCc3ncc(C)c([N+](=O)[O-])c3C)c2C)cc1 789440610 KDGOZJUNNFQWIQ-UHFFFAOYSA-N 436.512 4.453 5 20 IIBD COC(=O)c1occc1CN(C(=O)c1cc([N+](=O)[O-])cc(C)c1F)[C@H](C)c1ccccn1 790414676 QDEKGVYHVZKJKJ-CQSZACIVSA-N 441.415 4.221 5 20 IIBD CCCOC(=O)c1cc(-c2cncnc2)ccc1NC(=O)c1cc([N+](=O)[O-])cc(C)c1F 790864126 AUPSEJBTTBWPKH-UHFFFAOYSA-N 438.415 4.318 5 20 IIBD CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCc3nc(C4CCCCC4)[nH]c3C2)cc1OC 791272205 JMRKLINFLVVABL-OAHLLOKOSA-N 442.516 4.060 5 20 IIBD Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)N1CCC(c2nc3ccccc3s2)CC1 792686963 OIWWINLZIWDMSB-UHFFFAOYSA-N 439.493 4.076 5 20 IIBD O=[N+]([O-])c1ccc(/C(O)=C(/C(=S)NCCCCC(F)(F)F)[n+]2ccccc2)cc1 794847839 XSSUNHOABHLEHA-UHFFFAOYSA-O 426.440 4.416 5 20 IIBD CN(Cc1cc2ccccc2o1)S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] 795867581 PDSBVOWQIFGKNO-UHFFFAOYSA-N 443.250 4.063 5 20 IIBD COc1cc(N2CCC(OC(=O)CCSCc3ccccc3)CC2)ccc1[N+](=O)[O-] 796728514 WWACQRPQHJRQAF-UHFFFAOYSA-N 430.526 4.439 5 20 IIBD C[C@@H](COC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 800108697 DSFHVLWOEGTRDE-NSHDSACASA-N 442.415 4.152 5 20 IIBD CC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)CC2)cc1 801818353 NKPDUTSITFHIPT-UHFFFAOYSA-N 427.476 4.250 5 20 IIBD CCOc1cc(N2CCC(OC(=O)c3ncsc3C(F)(F)F)CC2)ccc1[N+](=O)[O-] 802094054 PPZCKLORXHZQDI-UHFFFAOYSA-N 445.419 4.295 5 20 IIBD COC(=O)c1ccc(-c2nc(COC(=O)c3cc([N+](=O)[O-])cc(C)c3F)cs2)cc1 803459593 ZKKKTVYXUHRETG-UHFFFAOYSA-N 430.413 4.309 5 20 IIBD Cc1nnc(COCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2OCc2ccccc2)s1 808014113 ZEBOTXZTDASTPP-UHFFFAOYSA-N 448.888 4.142 5 20 IIBD COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 808869497 NGECFMUBVOXDBV-VGSWGCGISA-N 439.512 4.053 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@@H](C)[C@H]2OCCc3sccc32)CC1 817052163 WJZBWMGUEKZYKI-YCRPNKLZSA-N 429.542 4.325 5 20 IIBD C[C@H](OC(=O)CCNc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(Cl)ccc1Cl 842050022 KVZQPOUYVLYHMZ-NSHDSACASA-N 426.256 4.274 5 20 IIBD CCC(CC)[C@H](CNc1cc([N+](=O)[O-])c(OC)c(Br)c1[N+](=O)[O-])N(C)C 884002452 HMPZXOSDYCRROC-ZDUSSCGKSA-N 433.303 4.052 5 20 IIBD C[C@@H](OC(=O)c1cccn1Cc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 900468344 GCGBGHVTVZOJPL-CQSZACIVSA-N 427.844 4.282 5 20 IIBD C[C@@H](OC(=O)[C@@H](C)Oc1ccc2c(c1)CCC2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 915486245 VIFOVDODUTWNBV-CHWSQXEVSA-N 432.860 4.075 5 20 IIBD CSc1ccc(C(=O)OCc2cccc(C(=O)NCc3ccco3)c2)cc1[N+](=O)[O-] 918815630 IXMMKRFAMYCCGL-UHFFFAOYSA-N 426.450 4.197 5 20 IIBD C[C@H](OC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 919523832 YXCOXNAZNKTGML-ZDUSSCGKSA-N 437.452 4.489 5 20 IIBD Cc1c(C(=O)N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 920284855 JMJHJSKGERGBTF-NSHDSACASA-N 427.335 4.244 5 20 IIBD CC(C)OCc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2I)c1 920467039 ZZWLAIFSAKRVQT-UHFFFAOYSA-N 440.237 4.377 5 20 IIBD Cc1cc(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)c(C)n1Cc1ccc2c(c1)OCO2 921267788 BTMPIUHRMISUJN-UHFFFAOYSA-N 426.400 4.191 5 20 IIBD O=c1c2ccccc2c(-c2ccc(F)c(F)c2)nn1CN1Cc2ccc([N+](=O)[O-])cc2C1 1318837308 RGUDOCAATPVVCH-UHFFFAOYSA-N 434.402 4.223 5 20 IIBD O=C(Nc1ccccc1C(=O)N1CC[C@H]2OCCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1Cl 1319273642 WCRPTFDMXOQTNL-JLTOFOAXSA-N 443.887 4.142 5 20 IIBD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccccc2CN2CCCC2=O)CC1 1337882662 CLMHXTJIZQQERI-UHFFFAOYSA-N 436.512 4.206 5 20 IIBD O=[N+]([O-])c1cnc(NCc2ccc(-n3cnc4ccccc43)nc2)c(Br)c1 1339942342 QZCYLGFZMHBFMY-UHFFFAOYSA-N 425.246 4.098 5 20 IIBD COc1cc([N+](=O)[O-])c(C(=O)OCc2c(C)nn(-c3ccccc3)c2C)cc1SC 1341883791 ODCHDAABGDSTLU-UHFFFAOYSA-N 427.482 4.485 5 20 IIBD Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccn(C2CCCCC2)n1 1343771331 RDILURFRPAHVOA-UHFFFAOYSA-N 443.323 4.168 5 20 IIBD COc1ccc(NC(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c([N+](=O)[O-])c1 1517258896 HKUNASLAKYAISG-CQSZACIVSA-N 441.419 4.204 5 20 IIBD Cc1ccncc1C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3F)CCC2)cc1 1788822880 MYZIHQJZGQJRNK-UHFFFAOYSA-N 448.454 4.499 5 20 IIBD Cc1ocnc1C(=O)Nc1ccc(C2(NC(=O)CCc3cccc([N+](=O)[O-])c3)CCC2)cc1 1789889801 WQNZGTSJSYOALW-UHFFFAOYSA-N 448.479 4.272 5 20 IIBD O=C(NC1(c2ccc(NC(=O)c3sccc3Cl)cc2)CCC1)c1nc[nH]c1[N+](=O)[O-] 1789900457 UZCHEEQEZXOBNT-UHFFFAOYSA-N 445.888 4.094 5 20 IIBD CCCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(F)c2[N+](=O)[O-])cc1 1800532556 URSKTCSPVRGNNA-REPLKXPHSA-N 439.487 4.252 5 20 IIBD Cc1c(C(=O)N2CCCC23CN(C(=O)[C@H](C)c2ccccc2)C3)cc(Cl)cc1[N+](=O)[O-] 1845500234 GHTQJBCMUMQDMK-OAHLLOKOSA-N 441.915 4.177 5 20 IIBD Cc1c(C(=O)N2CC3(CCCN3C(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)C2)cc(Cl)cc1[N+](=O)[O-] 1846031140 GTOJBGOOELMMFP-IXDOHACOSA-N 445.947 4.200 5 20 IIBD